smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC#CCCNC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1	ZINC000784901103	769006097	/nfs/dbraw/zinc/00/60/97/769006097.db2.gz	FIYAGEGTSIZQLA-UHFFFAOYSA-N	1	0	356.470	1.685	20	30		FDEDRO
N#Cc1cc(C(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c[nH]1	ZINC000285546556	769010086	/nfs/dbraw/zinc/01/00/86/769010086.db2.gz	GEQLNHKCQIYFKP-HXUWFJFHSA-N	1	0	363.465	1.919	20	30		FDEDRO
CC(C)C[C@H](C(N)=O)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C	ZINC001211490199	769244993	/nfs/dbraw/zinc/24/49/93/769244993.db2.gz	WYIMLVKPZRMEIH-ZTFGCOKTSA-N	1	0	356.470	1.642	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4cncn4)c3)[C@H]2C1	ZINC001083188046	769979841	/nfs/dbraw/zinc/97/98/41/769979841.db2.gz	AVNFSKGOOYAYAL-ZWKOTPCHSA-N	1	0	353.426	1.369	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc3n2CCCCC3)C1	ZINC001022736828	782797687	/nfs/dbraw/zinc/79/76/87/782797687.db2.gz	DUFOFFJPPWLVKC-QXSJWSMHSA-N	1	0	359.474	1.332	20	30		FDEDRO
C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(Cc2ccc(C#N)cc2F)C1	ZINC000969705326	770693346	/nfs/dbraw/zinc/69/33/46/770693346.db2.gz	WKRZMUZJLMCJJG-HBUWYVDXSA-N	1	0	358.461	1.974	20	30		FDEDRO
COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)cc1C#N	ZINC001020589885	770909672	/nfs/dbraw/zinc/90/96/72/770909672.db2.gz	GUVUZYBKQINLOI-LUKYLMHMSA-N	1	0	370.453	1.028	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1C	ZINC001020592143	770913112	/nfs/dbraw/zinc/91/31/12/770913112.db2.gz	LMRPKRKQZJFRLD-WOYTXXSLSA-N	1	0	351.491	1.413	20	30		FDEDRO
COC(=O)COc1ccc(CN(C)CC(=O)N[C@@](C)(C#N)C2CC2)cc1	ZINC000274886038	770950060	/nfs/dbraw/zinc/95/00/60/770950060.db2.gz	OTRXZPQRWNBYIX-IBGZPJMESA-N	1	0	359.426	1.479	20	30		FDEDRO
C[C@H](NC(=O)[C@H]1CN(C)C[C@@H](C)O1)C1C[NH+](Cc2ccc(C#N)cc2)C1	ZINC000969959768	771121585	/nfs/dbraw/zinc/12/15/85/771121585.db2.gz	WOYMNDAZSXAMJJ-ZRGWGRIASA-N	1	0	356.470	1.214	20	30		FDEDRO
C[C@](O)(CCNC(=[NH2+])N1CCN(c2ncccn2)CC1)c1ccccc1	ZINC000275051437	771127879	/nfs/dbraw/zinc/12/78/79/771127879.db2.gz	HRZDXLGLLRMAFR-IBGZPJMESA-N	1	0	354.458	1.211	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CC[C@H](C)C1	ZINC000970009111	771188459	/nfs/dbraw/zinc/18/84/59/771188459.db2.gz	PODIHNFQXBGLLT-AVEIZBFRSA-N	1	0	361.486	1.121	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NC)C1	ZINC001104231732	771431472	/nfs/dbraw/zinc/43/14/72/771431472.db2.gz	PEXMNZAWDROSGW-GDBMZVCRSA-N	1	0	364.490	1.285	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnc3cc(C)ccn32)C[C@H]1C	ZINC001104231768	771431698	/nfs/dbraw/zinc/43/16/98/771431698.db2.gz	QPPWHSUOIWCHJX-QZTJIDSGSA-N	1	0	368.481	1.980	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)c1	ZINC000120792572	771459118	/nfs/dbraw/zinc/45/91/18/771459118.db2.gz	MQXQTRXXJAXVNV-UHFFFAOYSA-N	1	0	365.433	1.863	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1	ZINC000430395685	771764762	/nfs/dbraw/zinc/76/47/62/771764762.db2.gz	AVOUOEIHRNLLAG-WMZOPIPTSA-N	1	0	363.502	1.561	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCC[C@](CO)(Cc2ccccc2)C1	ZINC000297630340	771767627	/nfs/dbraw/zinc/76/76/27/771767627.db2.gz	YFVCUQVUJRNXPE-NRFANRHFSA-N	1	0	357.498	1.968	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(Cc3cnc(C)s3)C[C@@H]21	ZINC001083198830	771826303	/nfs/dbraw/zinc/82/63/03/771826303.db2.gz	SOYYPCCDEBNJND-LTIDMASMSA-N	1	0	363.483	1.454	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]C[C@@H](O)COCC(C)C)CC1	ZINC001167277913	771856949	/nfs/dbraw/zinc/85/69/49/771856949.db2.gz	YFVVZXTUUMBXKJ-KURKYZTESA-N	1	0	368.518	1.487	20	30		FDEDRO
C[C@@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C1C[NH+](Cc2ccc(C#N)cc2)C1	ZINC000970204473	772077809	/nfs/dbraw/zinc/07/78/09/772077809.db2.gz	LADUCKNTLGWIFD-QRKUABHPSA-N	1	0	369.465	1.546	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1	ZINC000970220533	772129780	/nfs/dbraw/zinc/12/97/80/772129780.db2.gz	CEPDCLXDNJOSKD-AOIWGVFYSA-N	1	0	359.470	1.447	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc(OC)ns2)C1	ZINC000970241042	772159302	/nfs/dbraw/zinc/15/93/02/772159302.db2.gz	ACLZDEINRDOZBL-INWMFGNUSA-N	1	0	351.472	1.823	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1	ZINC000972241815	783005630	/nfs/dbraw/zinc/00/56/30/783005630.db2.gz	AYPRFGFGEXNKND-VAMGGRTRSA-N	1	0	365.477	1.221	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCNC(=O)COC)C[C@H]1C	ZINC001104262805	772550110	/nfs/dbraw/zinc/55/01/10/772550110.db2.gz	NXWHHLKCZFKYJG-IXDOHACOSA-N	1	0	353.507	1.568	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnnn1C	ZINC001021260287	772681884	/nfs/dbraw/zinc/68/18/84/772681884.db2.gz	IPGHZPYTPJIUNC-GPFKCLTHSA-N	1	0	359.474	1.408	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCNC(=O)C3CC3)C2)CCC1	ZINC001104281456	772763101	/nfs/dbraw/zinc/76/31/01/772763101.db2.gz	XTXOAUYFSPNJHZ-SJLPKXTDSA-N	1	0	359.514	1.780	20	30		FDEDRO
C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1	ZINC000275636538	772890986	/nfs/dbraw/zinc/89/09/86/772890986.db2.gz	DBTPVZXGZWVPGL-HNNXBMFYSA-N	1	0	371.485	1.774	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCc3nc(C)nn3C1)C2	ZINC001112486409	772973549	/nfs/dbraw/zinc/97/35/49/772973549.db2.gz	QWEKDFFCUJUUOM-ZWOKBUDYSA-N	1	0	355.486	1.391	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cnn(-c3cccnc3)c2)C[C@H]1C	ZINC001104287301	773049942	/nfs/dbraw/zinc/04/99/42/773049942.db2.gz	BOGYBETUVIQLBS-IAGOWNOFSA-N	1	0	351.454	1.978	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2=COCCC2)C[C@H]1c1ccccc1	ZINC001211549843	783071069	/nfs/dbraw/zinc/07/10/69/783071069.db2.gz	MIDURJOLXOTDHL-VQTJNVASSA-N	1	0	354.450	1.915	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2=COCCC2)C[C@H]1c1ccccc1	ZINC001211550693	783103829	/nfs/dbraw/zinc/10/38/29/783103829.db2.gz	ZFANCJBBMXLRFU-RBUKOAKNSA-N	1	0	369.465	1.567	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1COCCN1CC(F)F)C2	ZINC001112492750	773709139	/nfs/dbraw/zinc/70/91/39/773709139.db2.gz	GSPXDAQESMCXOL-BXWFABGCSA-N	1	0	369.456	1.194	20	30		FDEDRO
C#Cc1cccc(NC(=O)NC(=O)C[N@@H+](CC(C)(C)O)C2CCOCC2)c1	ZINC001167589373	783138272	/nfs/dbraw/zinc/13/82/72/783138272.db2.gz	DJJQIEURBURSEX-UHFFFAOYSA-N	1	0	373.453	1.568	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1	ZINC000275818866	774014024	/nfs/dbraw/zinc/01/40/24/774014024.db2.gz	FIPWBCXMYQSOMF-HNNXBMFYSA-N	1	0	356.426	1.592	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cncnc2C)C1=O	ZINC001087127713	774345083	/nfs/dbraw/zinc/34/50/83/774345083.db2.gz	FUTPBGPHCUHHOW-HFTRVMKXSA-N	1	0	371.485	1.402	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC1(C[NH2+]Cc2cnnn2C)CC1	ZINC001167422448	774563743	/nfs/dbraw/zinc/56/37/43/774563743.db2.gz	QFIQETMVWAQTPJ-IRXDYDNUSA-N	1	0	361.490	1.563	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1CC[NH2+]Cc1ccccc1C#N	ZINC001104320696	774927072	/nfs/dbraw/zinc/92/70/72/774927072.db2.gz	AJUNNKBEVBRUQR-LZQZEXGQSA-N	1	0	368.481	1.659	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[NH+](C(C)(C)CC)CC1	ZINC000656337119	775039540	/nfs/dbraw/zinc/03/95/40/775039540.db2.gz	OSCGNPHQYXDIIE-JKSUJKDBSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)COCc2nccn2C)C[C@H]1C	ZINC001104332554	775452370	/nfs/dbraw/zinc/45/23/70/775452370.db2.gz	LGMGDRMQWIYGDP-IAGOWNOFSA-N	1	0	364.490	1.214	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2onc(C)c2C)C[C@H]1C	ZINC001104334007	775486538	/nfs/dbraw/zinc/48/65/38/775486538.db2.gz	LXHPFXVAUDOZQO-DAXOMENPSA-N	1	0	360.458	1.117	20	30		FDEDRO
C=CCOc1cc(OC)ccc1C(=O)N1CCN(CC[NH+](C)C)C(=O)C1	ZINC000650307199	775594841	/nfs/dbraw/zinc/59/48/41/775594841.db2.gz	PRKPAHAQNLCRPQ-UHFFFAOYSA-N	1	0	361.442	1.106	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](O)COCCOC)C1	ZINC001104731629	790392974	/nfs/dbraw/zinc/39/29/74/790392974.db2.gz	PPWBPKAALGLFID-KZNAEPCWSA-N	1	0	370.534	1.687	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)C2=COCCO2)C1	ZINC001075418939	776483006	/nfs/dbraw/zinc/48/30/06/776483006.db2.gz	JECXUIISGCDRDC-SJLPKXTDSA-N	1	0	358.413	1.869	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CS(=O)(=O)CCOC)C[C@H]1C	ZINC001104356580	776994538	/nfs/dbraw/zinc/99/45/38/776994538.db2.gz	HYVAWFFSYDCKBS-HZPDHXFCSA-N	1	0	360.520	1.088	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)c2cccc(C)c2)C[C@H]1C	ZINC001104736366	790501323	/nfs/dbraw/zinc/50/13/23/790501323.db2.gz	VUFWHDDJURARFO-WSTZPKSXSA-N	1	0	369.509	1.922	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]3C2)cc1	ZINC001022019930	777147220	/nfs/dbraw/zinc/14/72/20/777147220.db2.gz	AXKLRDLDGIQKMP-IPMKNSEASA-N	1	0	353.466	1.681	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)cc3F)C2)C1	ZINC001022097808	777910511	/nfs/dbraw/zinc/91/05/11/777910511.db2.gz	CMYBIHORQIDVCU-FIUQPQMISA-N	1	0	358.417	1.349	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C	ZINC001104368585	777991948	/nfs/dbraw/zinc/99/19/48/777991948.db2.gz	ZRBHBTDXQONOGV-FGTMMUONSA-N	1	0	364.534	1.189	20	30		FDEDRO
Cc1nnc(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cccc(C#N)c2)[nH]1	ZINC001087163740	778088038	/nfs/dbraw/zinc/08/80/38/778088038.db2.gz	NMAZMNSNCGDUDQ-KDOFPFPSSA-N	1	0	366.469	1.944	20	30		FDEDRO
C[C@](CO)(Cc1ccccc1F)[NH2+]C[C@H](O)CC1(C#N)CCOCC1	ZINC000933430563	778110494	/nfs/dbraw/zinc/11/04/94/778110494.db2.gz	OHYBDSFATZJORU-SJLPKXTDSA-N	1	0	350.434	1.780	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)Cn2nnc(-c3ccco3)n2)C[C@H]1C	ZINC001104376622	778646257	/nfs/dbraw/zinc/64/62/57/778646257.db2.gz	MRRZPFNAEQUFPZ-HUUCEWRRSA-N	1	0	358.446	1.583	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)cc1	ZINC001022217216	778683193	/nfs/dbraw/zinc/68/31/93/778683193.db2.gz	GSNSFMISGYSUDS-RBUKOAKNSA-N	1	0	363.461	1.437	20	30		FDEDRO
CC(C)N1CC[C@@H](NC(=O)NCC#CCO)[C@H]1c1ccc(F)c(F)c1	ZINC000923773047	778927594	/nfs/dbraw/zinc/92/75/94/778927594.db2.gz	HMOOVADJXDMRNH-IAGOWNOFSA-N	1	0	351.397	1.784	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]32)nc1	ZINC001022293229	779181623	/nfs/dbraw/zinc/18/16/23/779181623.db2.gz	NOOZRDWLUCZOGN-RYQLBKOJSA-N	1	0	354.454	1.076	20	30		FDEDRO
O=C1C=COC2(CC[NH+](C[C@]3(O)CCN(Cc4ccccc4)C3)CC2)C1	ZINC000933644602	779253257	/nfs/dbraw/zinc/25/32/57/779253257.db2.gz	BVKMMJZMZXOJIG-HXUWFJFHSA-N	1	0	356.466	1.961	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001087172822	779350855	/nfs/dbraw/zinc/35/08/55/779350855.db2.gz	UEHRMZUNAFTRTR-LZQZEXGQSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2cnn3c2C[C@@H](CNC(C)=O)CC3)CC1	ZINC000276761913	779390669	/nfs/dbraw/zinc/39/06/69/779390669.db2.gz	AJMUGQMBBGIOOJ-INIZCTEOSA-N	1	0	373.501	1.352	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)nn1CCC#N	ZINC000276810181	779683855	/nfs/dbraw/zinc/68/38/55/779683855.db2.gz	SQWYGTKYZCMWBJ-UHFFFAOYSA-N	1	0	360.462	1.282	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@@]34CCC[C@@H]3[NH2+]CC4)C2=O)cc1	ZINC000891851770	779754759	/nfs/dbraw/zinc/75/47/59/779754759.db2.gz	PGPDGYLQWQMKQS-ABSDTBQOSA-N	1	0	367.453	1.243	20	30		FDEDRO
[NH2+]=C(NCC(=O)Nc1cccnc1)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000261971289	779761168	/nfs/dbraw/zinc/76/11/68/779761168.db2.gz	DDZHJQVPVAPYEP-UHFFFAOYSA-N	1	0	372.860	1.810	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@](O)(C2(C(=O)OC)CCC2)C1	ZINC000933839870	779852440	/nfs/dbraw/zinc/85/24/40/779852440.db2.gz	DRWPZZYWYCAKET-OXQOHEQNSA-N	1	0	366.502	1.970	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)N(C)C1	ZINC000329008343	780386350	/nfs/dbraw/zinc/38/63/50/780386350.db2.gz	ZPBVOPGVNDJWKN-OKYOBFRVSA-N	1	0	361.486	1.545	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1	ZINC000510968682	780446117	/nfs/dbraw/zinc/44/61/17/780446117.db2.gz	NPXGUGCPERBZQM-STQMWFEESA-N	1	0	374.407	1.718	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]32)CC[N@@H+]1C	ZINC001022471388	780483761	/nfs/dbraw/zinc/48/37/61/780483761.db2.gz	XPHNYPOAPOLIBD-YRBFXIGRSA-N	1	0	369.469	1.290	20	30		FDEDRO
C#C[C@@H]1COCCN1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-]	ZINC000934039948	780636415	/nfs/dbraw/zinc/63/64/15/780636415.db2.gz	FNRBJNDCINTURQ-CQSZACIVSA-N	1	0	373.413	1.213	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]1COCC[C@H]1OC	ZINC000934040201	780637555	/nfs/dbraw/zinc/63/75/55/780637555.db2.gz	KUKNDYLJTIHSES-ZMSDIMECSA-N	1	0	361.442	1.724	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)CC1	ZINC000277015219	780665821	/nfs/dbraw/zinc/66/58/21/780665821.db2.gz	AMHRHVCFTLXIQE-GJZGRUSLSA-N	1	0	358.442	1.859	20	30		FDEDRO
Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1	ZINC000101690186	780850968	/nfs/dbraw/zinc/85/09/68/780850968.db2.gz	SOWXUAYLPQORJG-OAHLLOKOSA-N	1	0	369.469	1.864	20	30		FDEDRO
Cc1n[nH]c(C)c1[C@H]1COCCN1CC(=O)NC1CC[NH+](C2CC2)CC1	ZINC000329013207	780891937	/nfs/dbraw/zinc/89/19/37/780891937.db2.gz	FGVOXIOMJHPORX-QGZVFWFLSA-N	1	0	361.490	1.983	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](Cc1nc(C)no1)c1ccccc1	ZINC000277181139	781004093	/nfs/dbraw/zinc/00/40/93/781004093.db2.gz	COKBAHAWCBSBFI-IUODEOHRSA-N	1	0	357.414	1.652	20	30		FDEDRO
C[C@H](CC(N)=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#Cc2ccccc2)C1	ZINC001112508453	781007955	/nfs/dbraw/zinc/00/79/55/781007955.db2.gz	GMUBIDIMBWUSMI-LZNRXBQRSA-N	1	0	367.493	1.768	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@H](O)COC)C1	ZINC001112509152	781039359	/nfs/dbraw/zinc/03/93/59/781039359.db2.gz	LXDIMMGNUTXBQE-BJLQDIEVSA-N	1	0	350.503	1.796	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@H](O)Cn2cccn2)C1	ZINC001112509388	781040529	/nfs/dbraw/zinc/04/05/29/781040529.db2.gz	WLPZBWQOYNRKDR-ZWOKBUDYSA-N	1	0	360.502	1.675	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCCCCNC(=O)CC1	ZINC000934153682	781314823	/nfs/dbraw/zinc/31/48/23/781314823.db2.gz	KTXDFPIIFAXTEE-UHFFFAOYSA-N	1	0	353.422	1.278	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CCC(C[NH+](C)C)CC3)cc2C1=O	ZINC000511043369	781597478	/nfs/dbraw/zinc/59/74/78/781597478.db2.gz	FQAXOPCVYAVBDM-UHFFFAOYSA-N	1	0	355.438	1.882	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@H]1C	ZINC001104398359	781654643	/nfs/dbraw/zinc/65/46/43/781654643.db2.gz	HMVDQTJQVJNLJA-ZACQAIPSSA-N	1	0	350.507	1.818	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3CN(C(=O)C[N@H+]4CCC[C@@H]4C)C[C@H]32)c1	ZINC001022634722	781690781	/nfs/dbraw/zinc/69/07/81/781690781.db2.gz	DKIKMMMINUBRIG-VDZJLULYSA-N	1	0	366.465	1.220	20	30		FDEDRO
Cc1oc(C)c(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)c1C	ZINC001104399701	781803826	/nfs/dbraw/zinc/80/38/26/781803826.db2.gz	VEBLYNIXZQGPNZ-MLGOLLRUSA-N	1	0	360.458	1.532	20	30		FDEDRO
N#Cc1ccccc1N1CCC(NC(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1	ZINC000892156565	781862045	/nfs/dbraw/zinc/86/20/45/781862045.db2.gz	KXDPBSVDVOLAIM-INIZCTEOSA-N	1	0	363.412	1.823	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3c[nH]cc3C)C[C@H]21	ZINC000972835007	783902551	/nfs/dbraw/zinc/90/25/51/783902551.db2.gz	KWVDROCQYROEOB-BPQIPLTHSA-N	1	0	354.454	1.094	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21	ZINC000972846266	783931148	/nfs/dbraw/zinc/93/11/48/783931148.db2.gz	KRLCIAZQWFBRMY-UWWQBHOKSA-N	1	0	369.469	1.434	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCOCC2)C1	ZINC001112520424	784241280	/nfs/dbraw/zinc/24/12/80/784241280.db2.gz	CWRCDDWNKBRVRZ-PXNSSMCTSA-N	1	0	363.502	1.420	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ncnn2CC)C1	ZINC001024196625	784309058	/nfs/dbraw/zinc/30/90/58/784309058.db2.gz	ZFOQLKNQGZFDQL-BQFCYCMXSA-N	1	0	361.490	1.607	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1	ZINC000658620869	784694005	/nfs/dbraw/zinc/69/40/05/784694005.db2.gz	VUSWOBQIVOFHNH-QZTJIDSGSA-N	1	0	363.502	1.372	20	30		FDEDRO
CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccnn1CC	ZINC001024486676	784875201	/nfs/dbraw/zinc/87/52/01/784875201.db2.gz	FMRKAILLKWUZEZ-ZHALLVOQSA-N	1	0	358.486	1.975	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)cc1	ZINC000364438651	785052475	/nfs/dbraw/zinc/05/24/75/785052475.db2.gz	FBDMXQQLJXDOAI-IERDGZPVSA-N	1	0	363.417	1.894	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)COc1ccccc1C#N	ZINC000364547941	785091985	/nfs/dbraw/zinc/09/19/85/785091985.db2.gz	SKKDLFAQYKYHBR-NJAFHUGGSA-N	1	0	357.454	1.943	20	30		FDEDRO
Cc1cccc(C=c2sc(=C(C#N)C#N)n(C3CC[NH+](C)CC3)c2=O)c1	ZINC000255865771	785293705	/nfs/dbraw/zinc/29/37/05/785293705.db2.gz	ZLJZZSDSCSDHLI-UHFFFAOYSA-N	1	0	364.474	1.512	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1	ZINC001024660409	785648073	/nfs/dbraw/zinc/64/80/73/785648073.db2.gz	OAXHIAXDSWDZDN-OTWHNJEPSA-N	1	0	371.481	1.847	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(C(=O)Cc3c(F)cccc3C#N)CC2)c1	ZINC000511381035	785810560	/nfs/dbraw/zinc/81/05/60/785810560.db2.gz	SAUBPWUPPVOFLS-UHFFFAOYSA-N	1	0	354.385	1.992	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC1CC[NH+](CCCOC)CC1	ZINC000668789472	785903102	/nfs/dbraw/zinc/90/31/02/785903102.db2.gz	XALYNCBHSYAWBY-SJLPKXTDSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC)C1	ZINC001211734524	785909548	/nfs/dbraw/zinc/90/95/48/785909548.db2.gz	WYEOVPDXNUITGH-ZWKOTPCHSA-N	1	0	359.470	1.299	20	30		FDEDRO
CCOC[C@@H]1CC[N@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C1	ZINC000177633280	785916734	/nfs/dbraw/zinc/91/67/34/785916734.db2.gz	NDZHEJNHSSGZQK-OAHLLOKOSA-N	1	0	356.426	1.638	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)NCC1(O)CC[NH+](C(C)C)CC1	ZINC000431715557	786511665	/nfs/dbraw/zinc/51/16/65/786511665.db2.gz	LQAUVEPOLJVBGO-UHFFFAOYSA-N	1	0	358.442	1.157	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](OC)c2ccccc2)C1	ZINC001111947605	786850701	/nfs/dbraw/zinc/85/07/01/786850701.db2.gz	RDVGOFPAQYWKFQ-ZVDOUQERSA-N	1	0	356.466	1.995	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)NCCn2cnc(C#N)n2)CC[N@@H+]1Cc1ccccc1	ZINC000376300414	787191964	/nfs/dbraw/zinc/19/19/64/787191964.db2.gz	JKKKULLLDZTLPT-DOTOQJQBSA-N	1	0	367.457	1.502	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCc2nncn2CC1	ZINC000888954514	805780298	/nfs/dbraw/zinc/78/02/98/805780298.db2.gz	PCZYESXICBKDSO-SFHVURJKSA-N	1	0	366.469	1.693	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cccc(F)c4)[C@@H]3C2)C1=O	ZINC001075511776	787401001	/nfs/dbraw/zinc/40/10/01/787401001.db2.gz	WMTFHDYXRDSSPG-CGTJXYLNSA-N	1	0	357.429	1.759	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4c(c3)nc[nH]c4=O)[C@H]2C1	ZINC001083276771	787475846	/nfs/dbraw/zinc/47/58/46/787475846.db2.gz	VKPXTWWQZLCAGX-DLBZAZTESA-N	1	0	354.410	1.437	20	30		FDEDRO
Cc1c(C(=O)N2C[C@H]3CCN(C(=O)[C@H](C)C#N)C[C@H]32)ccc2c[nH+]cn21	ZINC000973038146	787579467	/nfs/dbraw/zinc/57/94/67/787579467.db2.gz	YIULZZCHPTUASE-SUYBPPKGSA-N	1	0	351.410	1.475	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCNC(C)=O)C1	ZINC001104552454	787751516	/nfs/dbraw/zinc/75/15/16/787751516.db2.gz	IDZNLFXLXXUFTP-IEBWSBKVSA-N	1	0	365.518	1.407	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(OC)nn1	ZINC001025090411	787815890	/nfs/dbraw/zinc/81/58/90/787815890.db2.gz	HZJSPEREAUTQKD-ZACQAIPSSA-N	1	0	360.458	1.547	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)COCC(F)F)C[C@H]1c1ccccc1	ZINC001211642665	788067380	/nfs/dbraw/zinc/06/73/80/788067380.db2.gz	OGWMEBFWVZALJS-DLBZAZTESA-N	1	0	366.408	1.502	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1	ZINC001025174921	788187796	/nfs/dbraw/zinc/18/77/96/788187796.db2.gz	CZRQTUVPGPNCFG-BRWVUGGUSA-N	1	0	365.518	1.399	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1	ZINC001025216967	788270767	/nfs/dbraw/zinc/27/07/67/788270767.db2.gz	XTKJHDAZODYWKD-CAOSSQGBSA-N	1	0	351.491	1.007	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1C	ZINC001104578053	788368722	/nfs/dbraw/zinc/36/87/22/788368722.db2.gz	HETXYLOSBRYMIJ-RBSFLKMASA-N	1	0	369.456	1.634	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2(C(F)F)CCCC2)C[C@H]1C	ZINC001104578445	788405319	/nfs/dbraw/zinc/40/53/19/788405319.db2.gz	ZFVIRYBLHNMJID-HUUCEWRRSA-N	1	0	369.456	1.636	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC[C@H]2CCCO2)C1	ZINC001104606730	788847458	/nfs/dbraw/zinc/84/74/58/788847458.db2.gz	CIJRSACJUAXQAV-KZNAEPCWSA-N	1	0	365.518	1.712	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C2)CC1	ZINC001104631550	789059025	/nfs/dbraw/zinc/05/90/25/789059025.db2.gz	RODNYHUQFLCSPK-HZPDHXFCSA-N	1	0	356.532	1.852	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(CF)CCC2)C[C@H]1C	ZINC001104699777	789520507	/nfs/dbraw/zinc/52/05/07/789520507.db2.gz	KDXCDYCYUKDYPO-OWCLPIDISA-N	1	0	353.482	1.891	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(CF)CCC2)C[C@H]1C	ZINC001104699776	789520701	/nfs/dbraw/zinc/52/07/01/789520701.db2.gz	KDXCDYCYUKDYPO-BZUAXINKSA-N	1	0	353.482	1.891	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cn(C)nc2C)C1	ZINC001104704154	789552577	/nfs/dbraw/zinc/55/25/77/789552577.db2.gz	KLTBZDPDDUMULD-OPNNQBFTSA-N	1	0	360.502	1.894	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N1CC[N@@H+](C2CCOCC2)C[C@H]1C	ZINC000278808988	789575505	/nfs/dbraw/zinc/57/55/05/789575505.db2.gz	ZWXCDVMYIMNIRQ-BEFAXECRSA-N	1	0	357.454	1.957	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1	ZINC001025439063	789576761	/nfs/dbraw/zinc/57/67/61/789576761.db2.gz	WSYJBTUHGORDMB-MBOZVWFJSA-N	1	0	365.518	1.397	20	30		FDEDRO
Cc1cccc(C)c1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104713420	789653668	/nfs/dbraw/zinc/65/36/68/789653668.db2.gz	DTTUZGFKCUKGBW-IAGOWNOFSA-N	1	0	356.470	1.631	20	30		FDEDRO
Cc1cc(F)cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)c1	ZINC001104715957	789674785	/nfs/dbraw/zinc/67/47/85/789674785.db2.gz	JCXLODATFPMXDO-HUUCEWRRSA-N	1	0	360.433	1.462	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(S(C)(=O)=O)o2)C[C@H]1C	ZINC001104745190	791297569	/nfs/dbraw/zinc/29/75/69/791297569.db2.gz	GPXGYPJPFBKGID-ZIAGYGMSSA-N	1	0	352.456	1.394	20	30		FDEDRO
CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C[C@H](C)O2	ZINC001098603635	791528077	/nfs/dbraw/zinc/52/80/77/791528077.db2.gz	SUEFBXRWTYXYJW-GBESFXJTSA-N	1	0	361.530	1.822	20	30		FDEDRO
C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1	ZINC000415183516	791583564	/nfs/dbraw/zinc/58/35/64/791583564.db2.gz	NFSLXGHSWUWPQR-UHFFFAOYSA-N	1	0	364.405	1.506	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC23CCN(c2cnc(C#N)cn2)CC3)CC[N@@H+]1C	ZINC001058655623	791693560	/nfs/dbraw/zinc/69/35/60/791693560.db2.gz	DSVCBEMVJLLDLG-GVDBMIGSSA-N	1	0	368.485	1.554	20	30		FDEDRO
CCc1nc(CN2C[C@H]3C[NH+](CCOc4cccc(C#N)c4)C[C@@H]3C2)no1	ZINC000377431905	791817029	/nfs/dbraw/zinc/81/70/29/791817029.db2.gz	KUJCIELLKHRDON-IAGOWNOFSA-N	1	0	367.453	1.946	20	30		FDEDRO
Cc1ccc(CN2CC[C@H](NC(=O)N[C@H]3CC[N@@H+](C4CC4)C3)C2=O)cc1	ZINC000330108685	791875449	/nfs/dbraw/zinc/87/54/49/791875449.db2.gz	NYJSHKRQWICDCE-WMZOPIPTSA-N	1	0	356.470	1.836	20	30		FDEDRO
CN(C(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1)C1CC[NH2+]CC1	ZINC000415317938	791924722	/nfs/dbraw/zinc/92/47/22/791924722.db2.gz	FDSZQTPEKCIVCP-UHFFFAOYSA-N	1	0	362.433	1.630	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2ccncc2)C1=O	ZINC001025793284	792059244	/nfs/dbraw/zinc/05/92/44/792059244.db2.gz	BHUWOCXTHQCNML-PKRLLGJHSA-N	1	0	366.465	1.018	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1	ZINC000415398388	792179258	/nfs/dbraw/zinc/17/92/58/792179258.db2.gz	QNJASVKVUFJOEW-ZDUSSCGKSA-N	1	0	358.442	1.870	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)C(C)C)C[C@H]1C	ZINC001104748547	792226340	/nfs/dbraw/zinc/22/63/40/792226340.db2.gz	UOZZGAOXJLKGOC-OWCLPIDISA-N	1	0	366.506	1.365	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1	ZINC000415583209	792615837	/nfs/dbraw/zinc/61/58/37/792615837.db2.gz	QOCRSULIGLDIFJ-XIRDDKMYSA-N	1	0	370.453	1.127	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC#C[C@@H]2CCCCO2)[C@H](C)C1	ZINC000893050963	792647261	/nfs/dbraw/zinc/64/72/61/792647261.db2.gz	PLDQMWBQRASLRI-QYZOEREBSA-N	1	0	365.518	1.995	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	ZINC000415609937	792685801	/nfs/dbraw/zinc/68/58/01/792685801.db2.gz	HRBRZOABRWZLHU-BXUZGUMPSA-N	1	0	369.450	1.734	20	30		FDEDRO
C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000415623437	792714939	/nfs/dbraw/zinc/71/49/39/792714939.db2.gz	MKGSBKZMOGOSMQ-KXBFYZLASA-N	1	0	362.433	1.534	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1C(F)(F)F	ZINC001112040829	792787924	/nfs/dbraw/zinc/78/79/24/792787924.db2.gz	CJZWAOOKSTULMD-BFHYXJOUSA-N	1	0	361.408	1.942	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1	ZINC000415714124	792858093	/nfs/dbraw/zinc/85/80/93/792858093.db2.gz	UDHSUDIJKDCYIV-QGZVFWFLSA-N	1	0	356.470	1.250	20	30		FDEDRO
COC[C@@]1(CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CCC[NH2+]1	ZINC000415715795	792862741	/nfs/dbraw/zinc/86/27/41/792862741.db2.gz	ZEROKFHJBDTTGY-IBGZPJMESA-N	1	0	358.442	1.311	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1	ZINC000415738011	792902539	/nfs/dbraw/zinc/90/25/39/792902539.db2.gz	DFZMOUMPEQQINZ-ILXRZTDVSA-N	1	0	372.494	1.945	20	30		FDEDRO
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@H](C)[C@H](C)[NH3+]	ZINC000415792168	793003342	/nfs/dbraw/zinc/00/33/42/793003342.db2.gz	SUHYOOLXCSWDAE-QWHCGFSZSA-N	1	0	367.409	1.844	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)c3ccccc3F)C[C@H]21	ZINC001026054257	793014692	/nfs/dbraw/zinc/01/46/92/793014692.db2.gz	IJBUDDOFFXNKNG-ZOLWUENMSA-N	1	0	360.429	1.497	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)c3ccc(CC)cc3)C[C@H]21	ZINC001026056781	793032577	/nfs/dbraw/zinc/03/25/77/793032577.db2.gz	CAEQDVLOUCMKCC-OFELHODLSA-N	1	0	370.493	1.920	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C[C@@]1(C)C[NH3+]	ZINC000415834087	793089887	/nfs/dbraw/zinc/08/98/87/793089887.db2.gz	AIDKRFUEZLSBFX-AUUYWEPGSA-N	1	0	358.442	1.751	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCC2CCOCC2)C[C@H]1C	ZINC001104752732	793096246	/nfs/dbraw/zinc/09/62/46/793096246.db2.gz	KOMPDHFYGYXAIS-SJLPKXTDSA-N	1	0	365.518	1.570	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)c1	ZINC000415836226	793126123	/nfs/dbraw/zinc/12/61/23/793126123.db2.gz	KAFWOXRUBLOGTC-ZDUSSCGKSA-N	1	0	366.368	1.732	20	30		FDEDRO
CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1	ZINC000415866761	793222368	/nfs/dbraw/zinc/22/23/68/793222368.db2.gz	VXIVHEMBWLQWPH-INIZCTEOSA-N	1	0	358.417	1.872	20	30		FDEDRO
N#Cc1ccc(NC(=O)CCN2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)cc1	ZINC000378009424	793383932	/nfs/dbraw/zinc/38/39/32/793383932.db2.gz	XWNBQRSZAZOLIB-RTBURBONSA-N	1	0	356.470	1.808	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)Nc2ccc(OCC[NH3+])cc2)CC1	ZINC000415940997	793411873	/nfs/dbraw/zinc/41/18/73/793411873.db2.gz	VLUIIOWXMWGYMV-UHFFFAOYSA-N	1	0	366.425	1.645	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)Nc3ccc(OCC[NH3+])cc3)CC2)n1	ZINC000415951348	793421916	/nfs/dbraw/zinc/42/19/16/793421916.db2.gz	YUHSIOGBMSOBMI-UHFFFAOYSA-N	1	0	366.425	1.645	20	30		FDEDRO
CN(CC(C)(C)C#N)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1	ZINC000416030755	793513910	/nfs/dbraw/zinc/51/39/10/793513910.db2.gz	RABJKOJPICZLHD-UHFFFAOYSA-N	1	0	359.474	1.984	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CN2CCOCC2)C1	ZINC001087425552	806251836	/nfs/dbraw/zinc/25/18/36/806251836.db2.gz	CUPSUDKLDBGRDW-WOJBJXKFSA-N	1	0	357.498	1.869	20	30		FDEDRO
C[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCCOC1)C(=O)Nc1ccccc1C#N	ZINC000378154187	793583214	/nfs/dbraw/zinc/58/32/14/793583214.db2.gz	LPFGWWJZGPCMCR-JXFKEZNVSA-N	1	0	372.469	1.356	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)C2CC3(C2)NC(=O)NC3=O)C[C@H]1C	ZINC001104780809	793626531	/nfs/dbraw/zinc/62/65/31/793626531.db2.gz	LEHZBYRXLHFNTQ-IUGDKWEMSA-N	1	0	362.474	1.015	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC2CC2)C1	ZINC001104782756	793634290	/nfs/dbraw/zinc/63/42/90/793634290.db2.gz	RMXQBFIYHATRMO-RRIFGTCXSA-N	1	0	363.502	1.320	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2C[C@@H]3CCC[C@]3(CNCC#N)C2)C1	ZINC001112529625	806266130	/nfs/dbraw/zinc/26/61/30/806266130.db2.gz	IDVPAOAOBPICQH-ZYSHUDEJSA-N	1	0	350.482	1.941	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)C2CCOCC2)C[C@H]1C	ZINC001104804007	793768471	/nfs/dbraw/zinc/76/84/71/793768471.db2.gz	HIASONXAAVNZOQ-CZUORRHYSA-N	1	0	371.909	1.356	20	30		FDEDRO
C=CCNC(=O)CN[C@@H]1CN(C(=O)CCOC(C)C)C[C@H]1C(F)(F)F	ZINC001112051957	793789732	/nfs/dbraw/zinc/78/97/32/793789732.db2.gz	SFWRBNHTESQUQK-CHWSQXEVSA-N	1	0	365.396	1.083	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)C3CCC(NC(C)=O)CC3)[C@H]2C1	ZINC001083292173	793815329	/nfs/dbraw/zinc/81/53/29/793815329.db2.gz	SMPGOUZSVKLUJQ-WZOJCFFYSA-N	1	0	363.502	1.559	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCC(=O)Nc2ccccc2C#N)[C@@H](C)C[N@@H+]1CCO	ZINC000416317578	794026409	/nfs/dbraw/zinc/02/64/09/794026409.db2.gz	XAWUEJHZACVYKM-CVEARBPZSA-N	1	0	372.469	1.581	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)C[C@@H](C)O2	ZINC001098609953	794133014	/nfs/dbraw/zinc/13/30/14/794133014.db2.gz	GVLJEESJHXPESN-KZNAEPCWSA-N	1	0	365.518	1.364	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(N)=O)C[C@H]1C	ZINC001104895670	794265325	/nfs/dbraw/zinc/26/53/25/794265325.db2.gz	FBSGZXAERGPVEF-ZACQAIPSSA-N	1	0	366.506	1.196	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(N3CCCC3)nn2)C[C@H]1C	ZINC001104895313	794274540	/nfs/dbraw/zinc/27/45/40/794274540.db2.gz	XYCZUFGLYGXJPS-IAGOWNOFSA-N	1	0	355.486	1.788	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)CCc2ccccc2C(N)=O)C[C@H]1C	ZINC001104908673	794352423	/nfs/dbraw/zinc/35/24/23/794352423.db2.gz	GXZOCXJHTKBSBK-SJLPKXTDSA-N	1	0	355.482	1.816	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC3CC3)C2)nc1	ZINC001104924984	794423989	/nfs/dbraw/zinc/42/39/89/794423989.db2.gz	WBAILSAQZCJAQY-HLLBOEOZSA-N	1	0	368.481	1.418	20	30		FDEDRO
CCCCO[C@@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC#CCOC)C1	ZINC001112064450	794433543	/nfs/dbraw/zinc/43/35/43/794433543.db2.gz	DOOQXQJCRVAGBA-RRFJBIMHSA-N	1	0	364.408	1.820	20	30		FDEDRO
CCCCO[C@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC#CCOC)C1	ZINC001112064449	794433571	/nfs/dbraw/zinc/43/35/71/794433571.db2.gz	DOOQXQJCRVAGBA-RBSFLKMASA-N	1	0	364.408	1.820	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc4nnn(C)c43)[C@H]2C1	ZINC001083293879	794447554	/nfs/dbraw/zinc/44/75/54/794447554.db2.gz	CFFRHPMKFHYYKU-DLBZAZTESA-N	1	0	355.442	1.460	20	30		FDEDRO
Cc1cc(F)ccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104931459	794459402	/nfs/dbraw/zinc/45/94/02/794459402.db2.gz	TUMKMBAVJLXVJO-HUUCEWRRSA-N	1	0	360.433	1.462	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1	ZINC000974127001	794477443	/nfs/dbraw/zinc/47/74/43/794477443.db2.gz	DAPKLKGXEAEQRV-ILOCAZANSA-N	1	0	363.502	1.604	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c(F)cccc2F)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104947077	794531415	/nfs/dbraw/zinc/53/14/15/794531415.db2.gz	JHDNTVPOKLUELW-CHWSQXEVSA-N	1	0	364.396	1.292	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@H]1C	ZINC001104973127	794676282	/nfs/dbraw/zinc/67/62/82/794676282.db2.gz	GIINNNQISDVPLT-IJEWVQPXSA-N	1	0	360.458	1.166	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)c2cccc(C)c2)C[C@H]1C	ZINC001104976482	794695366	/nfs/dbraw/zinc/69/53/66/794695366.db2.gz	NKNWDDVTCBBMGG-IEBWSBKVSA-N	1	0	355.482	1.822	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(F)cc(F)c2)C[C@H]1C	ZINC001104983149	794725123	/nfs/dbraw/zinc/72/51/23/794725123.db2.gz	VYMNQHSTLSZUJX-ZIAGYGMSSA-N	1	0	365.424	1.955	20	30		FDEDRO
C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@H]1C	ZINC001104992448	794761057	/nfs/dbraw/zinc/76/10/57/794761057.db2.gz	XSMLFYAEOMNSBQ-IAGOWNOFSA-N	1	0	363.502	1.956	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)Cc2nc3ncccn3n2)C[C@H]1C	ZINC001105007664	794889439	/nfs/dbraw/zinc/88/94/39/794889439.db2.gz	DGOBXKCGWAEARV-HZPDHXFCSA-N	1	0	356.474	1.707	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@H]1C	ZINC001105007749	794890533	/nfs/dbraw/zinc/89/05/33/794890533.db2.gz	VSZFFGWFGRKUBH-QLFBSQMISA-N	1	0	362.474	1.528	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2COCCN2C(C)=O)C[C@H]1C	ZINC001105034249	795013189	/nfs/dbraw/zinc/01/31/89/795013189.db2.gz	OBVVHZGKYIHRCU-KBAYOESNSA-N	1	0	351.491	1.274	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1CC[NH2+]Cc1ncnn1C	ZINC001105044869	795052112	/nfs/dbraw/zinc/05/21/12/795052112.db2.gz	GDYWTASLJMWUAW-IEBWSBKVSA-N	1	0	365.481	1.831	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)CCn2cc(Cl)cn2)C[C@H]1C	ZINC001105053944	795074798	/nfs/dbraw/zinc/07/47/98/795074798.db2.gz	FLZORAGQMNXIGN-HZPDHXFCSA-N	1	0	366.893	1.651	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cccc(C(N)=O)n2)C[C@H]1C	ZINC001105080559	795183833	/nfs/dbraw/zinc/18/38/33/795183833.db2.gz	PMJSBBCBRUCWBB-HUUCEWRRSA-N	1	0	360.458	1.071	20	30		FDEDRO
C=CCc1cc(CNC(=O)NC[C@@H]2C[NH2+]CCCO2)cc(OC)c1OC	ZINC000417399757	795185963	/nfs/dbraw/zinc/18/59/63/795185963.db2.gz	ZVCGGAUFJKJYNV-INIZCTEOSA-N	1	0	363.458	1.610	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCCCCOCC)C[C@H]1C	ZINC001105086578	795210912	/nfs/dbraw/zinc/21/09/12/795210912.db2.gz	PPHAKAAKVVRMPI-QZTJIDSGSA-N	1	0	365.518	1.407	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NCCCC)C1	ZINC001105090048	795232942	/nfs/dbraw/zinc/23/29/42/795232942.db2.gz	GWDZVNOAZQWBTR-FGTMMUONSA-N	1	0	367.534	1.958	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2c(C)nnn2CC)C1	ZINC001105090277	795234025	/nfs/dbraw/zinc/23/40/25/795234025.db2.gz	PCCFHOCABNTYLI-DJIMGWMZSA-N	1	0	363.506	1.772	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCCC)C1	ZINC001105090404	795234944	/nfs/dbraw/zinc/23/49/44/795234944.db2.gz	ULCHLLRZZFWWRA-IXDOHACOSA-N	1	0	353.507	1.568	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccnc(-n3cncn3)c2)C[C@H]1C	ZINC001105104698	795298901	/nfs/dbraw/zinc/29/89/01/795298901.db2.gz	BLIKQYJIRMRDAL-NVXWUHKLSA-N	1	0	352.442	1.373	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccnc(-n3cncn3)c2)C[C@H]1C	ZINC001105104976	795299277	/nfs/dbraw/zinc/29/92/77/795299277.db2.gz	HKSIVZXVEMAQFK-NVXWUHKLSA-N	1	0	354.458	1.926	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)CCc2cncc(F)c2)C[C@H]1C	ZINC001105114274	795328000	/nfs/dbraw/zinc/32/80/00/795328000.db2.gz	MSORHLJBPFJULN-SJLPKXTDSA-N	1	0	361.461	1.877	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCCF)C[C@H]1c1ccccc1	ZINC001211653672	795342745	/nfs/dbraw/zinc/34/27/45/795342745.db2.gz	UHZNWGYTJIEWLB-BPQIPLTHSA-N	1	0	359.445	1.458	20	30		FDEDRO
C=CC[N@@H+](CCN1CCO[C@@H](C)C1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000500099761	795489935	/nfs/dbraw/zinc/48/99/35/795489935.db2.gz	QUWYAWCYTCCMSA-IRXDYDNUSA-N	1	0	356.474	1.932	20	30		FDEDRO
C=CCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3ccncc3)C2)nn1	ZINC001105242860	795532228	/nfs/dbraw/zinc/53/22/28/795532228.db2.gz	LUKKUGVHGHILBF-RBUKOAKNSA-N	1	0	366.469	1.916	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC([NH2+]Cc2nnnn2CCC)CC1	ZINC001026563923	795557577	/nfs/dbraw/zinc/55/75/77/795557577.db2.gz	ODTLGIILLBXPCI-FJBKBRRZSA-N	1	0	362.478	1.191	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC([NH2+]Cc2ncnn2CCC)CC1	ZINC001026563796	795558236	/nfs/dbraw/zinc/55/82/36/795558236.db2.gz	HGCLOYCOIJMFCM-BACDZXNISA-N	1	0	361.490	1.796	20	30		FDEDRO
O=C(NCC#Cc1cccc(F)c1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000418148680	795577744	/nfs/dbraw/zinc/57/77/44/795577744.db2.gz	ACNUPSMEXJWDAN-HNNXBMFYSA-N	1	0	372.366	1.313	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)OC)C1	ZINC000296784857	795588078	/nfs/dbraw/zinc/58/80/78/795588078.db2.gz	SHMFYJRPEMMSSE-FHLIZLRMSA-N	1	0	373.453	1.589	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCCc3nc[nH]c32)C1	ZINC000974406093	795614176	/nfs/dbraw/zinc/61/41/76/795614176.db2.gz	COHYBWJTWHYECZ-SGPHBRAGSA-N	1	0	358.442	1.184	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1	ZINC000364319843	795667433	/nfs/dbraw/zinc/66/74/33/795667433.db2.gz	PILIAGWIHLLITL-DYVFJYSZSA-N	1	0	374.416	1.253	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cc1F	ZINC000418255362	795667488	/nfs/dbraw/zinc/66/74/88/795667488.db2.gz	BXRSPGROPWUEDC-HNNXBMFYSA-N	1	0	361.421	1.226	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCOCC)C1	ZINC001112092550	795707213	/nfs/dbraw/zinc/70/72/13/795707213.db2.gz	DRMMWBFGDQEWKP-UMVBOHGHSA-N	1	0	352.397	1.719	20	30		FDEDRO
C=CCn1c(-c2nnn(C)c2C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1	ZINC000651512104	795777537	/nfs/dbraw/zinc/77/75/37/795777537.db2.gz	MFUMFTWMKFPILF-INIZCTEOSA-N	1	0	370.505	1.880	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)nn1	ZINC001105285155	795805154	/nfs/dbraw/zinc/80/51/54/795805154.db2.gz	GKNROIDGEUPPRM-LVFSCSRESA-N	1	0	373.501	1.921	20	30		FDEDRO
N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@@H](C[NH3+])C3CC3)CC2)c1	ZINC000418399979	795869104	/nfs/dbraw/zinc/86/91/04/795869104.db2.gz	LYGQPBZJWNMPIS-KRWDZBQOSA-N	1	0	355.442	1.656	20	30		FDEDRO
N#Cc1cccc(NC(=O)C2CCN(C(=O)NC[C@H]([NH3+])C3CC3)CC2)c1	ZINC000418502228	796019279	/nfs/dbraw/zinc/01/92/79/796019279.db2.gz	UFHJISIVRUAXGK-KRWDZBQOSA-N	1	0	355.442	1.656	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cccnc2C)C1	ZINC001112100795	796023975	/nfs/dbraw/zinc/02/39/75/796023975.db2.gz	LGHGTBWXSAPJCS-FVQBIDKESA-N	1	0	369.387	1.907	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cncc(C)c2)C1	ZINC001112100820	796027104	/nfs/dbraw/zinc/02/71/04/796027104.db2.gz	MICFORRNWNKMJU-NUEKZKHPSA-N	1	0	369.387	1.907	20	30		FDEDRO
COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)Cn2cnc(C#N)n2)cc1	ZINC000500393715	796043680	/nfs/dbraw/zinc/04/36/80/796043680.db2.gz	ZADQPZQWTKEBJB-MRXNPFEDSA-N	1	0	354.414	1.112	20	30		FDEDRO
Cc1cccn2cc(CC(=O)N3C[C@H]4CCN(C(=O)[C@@H](C)C#N)C[C@H]43)nc12	ZINC000974530057	796271384	/nfs/dbraw/zinc/27/13/84/796271384.db2.gz	QGMMDNLHGPDOLI-ZMSDIMECSA-N	1	0	365.437	1.404	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2nnc(C)[nH]2)C1	ZINC001087427618	806579804	/nfs/dbraw/zinc/57/98/04/806579804.db2.gz	MACURHQUWAFMCP-QZTJIDSGSA-N	1	0	351.454	1.653	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)C[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)cc1	ZINC000974576237	799828699	/nfs/dbraw/zinc/82/86/99/799828699.db2.gz	JYYMBCCEMNGDRO-MISYRCLQSA-N	1	0	365.477	1.683	20	30		FDEDRO
CC1(C)C[N@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1NC(=O)[C@]12C[C@H]1COC2	ZINC000974614146	799939043	/nfs/dbraw/zinc/93/90/43/799939043.db2.gz	FFEADOKUNXDRAW-MDKPJZGXSA-N	1	0	369.465	1.952	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnc(C3CC3)[nH]2)C1	ZINC001026849645	800015362	/nfs/dbraw/zinc/01/53/62/800015362.db2.gz	AYQLQPJCWBBZDF-BMFZPTHFSA-N	1	0	359.474	1.601	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@H]32)cc1	ZINC000974706059	800160624	/nfs/dbraw/zinc/16/06/24/800160624.db2.gz	NKPGNWDINGDCFH-CEXWTWQISA-N	1	0	351.450	1.293	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(CCCOCC)C[C@@H](C)C(=O)OC)CC1	ZINC001126253548	806813775	/nfs/dbraw/zinc/81/37/75/806813775.db2.gz	YQLBFEFZIHTCOB-MRXNPFEDSA-N	1	0	352.475	1.396	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C(C)(C)C(=C)C)[C@@H]3C2)CC1	ZINC000974719284	800182159	/nfs/dbraw/zinc/18/21/59/800182159.db2.gz	NHVYKJBNPSHIBU-RTBURBONSA-N	1	0	371.525	1.993	20	30		FDEDRO
C=C(C)Cn1c(-c2ccc(=O)n(C)c2)nnc1N1CCC[N@@H+](CC)CC1	ZINC000909341372	800243210	/nfs/dbraw/zinc/24/32/10/800243210.db2.gz	JTXXRYIVIPJNHV-UHFFFAOYSA-N	1	0	356.474	1.752	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1	ZINC001027890205	806832738	/nfs/dbraw/zinc/83/27/38/806832738.db2.gz	SGZIKRVMGDVWMI-OTWHNJEPSA-N	1	0	371.481	1.847	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)CCC[NH2+]1	ZINC000662569008	806847966	/nfs/dbraw/zinc/84/79/66/806847966.db2.gz	UIQFIYLWSPVPPD-OALUTQOASA-N	1	0	356.426	1.056	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3CCN(C(=O)[C@H](C4CC4)[NH+](C)C)C[C@H]32)c1	ZINC000975068099	800819556	/nfs/dbraw/zinc/81/95/56/800819556.db2.gz	DMLNCGJKPUAVTD-QRQLOZEOSA-N	1	0	366.465	1.076	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnc(C3CC3)n2C)C1	ZINC001027075117	800887872	/nfs/dbraw/zinc/88/78/72/800887872.db2.gz	LYGJWZYLATWJGP-BMFZPTHFSA-N	1	0	359.474	1.222	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cnns2)C1	ZINC001027113687	800977851	/nfs/dbraw/zinc/97/78/51/800977851.db2.gz	GYRGDLUHGXGFEN-KBMXLJTQSA-N	1	0	350.488	1.848	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccn(C)c(=O)c2)C1	ZINC001027116567	801009378	/nfs/dbraw/zinc/00/93/78/801009378.db2.gz	FGCPMVDEPGPERU-LNLFQRSKSA-N	1	0	359.470	1.305	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nn(CC)nc2C)C1	ZINC001027116882	801013045	/nfs/dbraw/zinc/01/30/45/801013045.db2.gz	LFFXWPMSRSXIDE-BQFCYCMXSA-N	1	0	361.490	1.526	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC000975526869	801448287	/nfs/dbraw/zinc/44/82/87/801448287.db2.gz	HMLMSVPXSHOADV-HHXXYDBFSA-N	1	0	368.481	1.372	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]21	ZINC000975830010	802505301	/nfs/dbraw/zinc/50/53/01/802505301.db2.gz	UOVAXZBETGNERX-KEYYUXOJSA-N	1	0	351.410	1.557	20	30		FDEDRO
C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000661119755	802748650	/nfs/dbraw/zinc/74/86/50/802748650.db2.gz	XMECVANPVKMCIO-BBRMVZONSA-N	1	0	351.472	1.997	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC000976467882	803399505	/nfs/dbraw/zinc/39/95/05/803399505.db2.gz	RESYLXVTOOFKSZ-NUJGCVRESA-N	1	0	371.485	1.918	20	30		FDEDRO
C=CC[C@]1(C(=O)N2C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C2)CCC[NH2+]1	ZINC000662849310	803673005	/nfs/dbraw/zinc/67/30/05/803673005.db2.gz	GZRABVMNRMLULS-NQBHXWOUSA-N	1	0	354.394	1.119	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1	ZINC000423088671	814959387	/nfs/dbraw/zinc/95/93/87/814959387.db2.gz	QOBZKDHCUSLTFK-SFHVURJKSA-N	1	0	368.481	1.753	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2[nH]cnc2C)CC1	ZINC000976815864	803934260	/nfs/dbraw/zinc/93/42/60/803934260.db2.gz	QPXMICHFANMFHD-IAGOWNOFSA-N	1	0	371.485	1.221	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1	ZINC000423208986	814992307	/nfs/dbraw/zinc/99/23/07/814992307.db2.gz	FWBCWQCYXHHAGG-HNNXBMFYSA-N	1	0	374.441	1.697	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@]23C[C@H]2CCC3)CC1	ZINC000976960910	804184275	/nfs/dbraw/zinc/18/42/75/804184275.db2.gz	XGDCIFNUBMWNOT-YXZMJPADSA-N	1	0	355.482	1.095	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1	ZINC000423214727	815005177	/nfs/dbraw/zinc/00/51/77/815005177.db2.gz	MZQGCJHIDPMKPI-CZUORRHYSA-N	1	0	360.414	1.305	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)NC1CC[NH+](CCOC)CC1	ZINC000504002264	815022258	/nfs/dbraw/zinc/02/22/58/815022258.db2.gz	AWWORPJFYRWCTL-UHFFFAOYSA-N	1	0	359.470	1.971	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCOCCO)C2)C1	ZINC001211671044	804604595	/nfs/dbraw/zinc/60/45/95/804604595.db2.gz	UQBPRFANFOTQJF-RBUKOAKNSA-N	1	0	358.482	1.936	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CN(CC(=O)N(C)C)CC1(C)C	ZINC000977293752	804704216	/nfs/dbraw/zinc/70/42/16/804704216.db2.gz	MDOVPSJRLKXNTI-ZOBUZTSGSA-N	1	0	351.491	1.273	20	30		FDEDRO
COC[C@@H](OC)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001112526726	804814479	/nfs/dbraw/zinc/81/44/79/804814479.db2.gz	VBNJKNQVRPEQLY-ZVDOUQERSA-N	1	0	371.481	1.938	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C)CC[NH+]2CCCCC2)cc1	ZINC000652293358	804839913	/nfs/dbraw/zinc/83/99/13/804839913.db2.gz	LQXIFNYGCJIHTG-UHFFFAOYSA-N	1	0	372.469	1.485	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCN2C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC000977804568	804967312	/nfs/dbraw/zinc/96/73/12/804967312.db2.gz	GAQMHFLTEWBDHR-HLLBOEOZSA-N	1	0	357.458	1.290	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@H](CC)C(N)=O)C2)c1	ZINC001112526940	805056629	/nfs/dbraw/zinc/05/66/29/805056629.db2.gz	DIZSGIGJWFIJCZ-QKLQHJQFSA-N	1	0	354.454	1.159	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@H](C)C(=O)NC(N)=O)C2)C1	ZINC001112527171	805136855	/nfs/dbraw/zinc/13/68/55/805136855.db2.gz	QUOQTGFTPMLLHG-TYILLQQXSA-N	1	0	362.474	1.144	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1c1ccccc1	ZINC001211675120	805170149	/nfs/dbraw/zinc/17/01/49/805170149.db2.gz	MOLGWTVMPJYUMZ-MAUKXSAKSA-N	1	0	350.422	1.335	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](N(C)Cc2cnns2)C1	ZINC001027612595	805366388	/nfs/dbraw/zinc/36/63/88/805366388.db2.gz	MADZQJHMBYAGJW-BPUTZDHNSA-N	1	0	350.488	1.942	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)N[C@H](C[NH3+])C2CCCC2)CCN1Cc1ccccc1	ZINC000418593606	806989897	/nfs/dbraw/zinc/98/98/97/806989897.db2.gz	MIVBEPHGBAWLRN-RTBURBONSA-N	1	0	355.486	1.923	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000980579512	807078681	/nfs/dbraw/zinc/07/86/81/807078681.db2.gz	RRMLLTCFKIATLU-UWIFEVILSA-N	1	0	368.437	1.550	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccco2)C1	ZINC000980617422	807094937	/nfs/dbraw/zinc/09/49/37/807094937.db2.gz	NPBPKPLZEVYCMP-ZKXLYKBJSA-N	1	0	369.465	1.492	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cccc(C#N)c2)O1	ZINC001027965443	807126249	/nfs/dbraw/zinc/12/62/49/807126249.db2.gz	CESIMDMCWLEBHM-AYOQOUSVSA-N	1	0	356.470	1.358	20	30		FDEDRO
C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	ZINC001027966747	807131847	/nfs/dbraw/zinc/13/18/47/807131847.db2.gz	UCJFCUQDPHFDLV-MCIONIFRSA-N	1	0	350.381	1.880	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)C[C@@]1(C)C[NH3+]	ZINC000423530605	815102717	/nfs/dbraw/zinc/10/27/17/815102717.db2.gz	RKWJASFQBKKPMP-CNTRQJEFSA-N	1	0	368.481	1.728	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1	ZINC000423519752	815109872	/nfs/dbraw/zinc/10/98/72/815109872.db2.gz	DOZYFTYXXKEFNY-UHOSZYNNSA-N	1	0	368.481	1.872	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1	ZINC000423523738	815112798	/nfs/dbraw/zinc/11/27/98/815112798.db2.gz	IMIWTYNVMNDDFY-MKXGPGLRSA-N	1	0	366.465	1.495	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C)c(C(N)=O)cn1)C2	ZINC001112532513	807377742	/nfs/dbraw/zinc/37/77/42/807377742.db2.gz	HAAUTPSVWXLUGI-YWZLYKJASA-N	1	0	354.454	1.344	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(C)C)C1	ZINC001112532606	807388954	/nfs/dbraw/zinc/38/89/54/807388954.db2.gz	MADMUONZHPWCQO-CLWJZODNSA-N	1	0	363.502	1.320	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1	ZINC000981111594	807569572	/nfs/dbraw/zinc/56/95/72/807569572.db2.gz	TZTQDOSSUOZCTP-OFQRWUPVSA-N	1	0	357.458	1.385	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1	ZINC000981137108	807576646	/nfs/dbraw/zinc/57/66/46/807576646.db2.gz	MYQNQGFPRVDRQZ-IAGOWNOFSA-N	1	0	358.398	1.288	20	30		FDEDRO
N#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)[nH]1	ZINC000981175158	807649342	/nfs/dbraw/zinc/64/93/42/807649342.db2.gz	FXKIOJWZVPQIOL-LXZKKBNFSA-N	1	0	369.469	1.243	20	30		FDEDRO
C[NH2+]CCC1CCN(C(=O)C(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1	ZINC000423567335	815138073	/nfs/dbraw/zinc/13/80/73/815138073.db2.gz	KQMUWHCPOVGFID-UHFFFAOYSA-N	1	0	368.481	1.897	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)C2CC2)cc1	ZINC000423574482	815144203	/nfs/dbraw/zinc/14/42/03/815144203.db2.gz	SUIWLEFKZMNKSI-MRXNPFEDSA-N	1	0	354.454	1.637	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C(=O)NCC(F)(F)F)C[C@H]1c1ccccc1	ZINC001211698255	807779826	/nfs/dbraw/zinc/77/98/26/807779826.db2.gz	FFAKXCMQDAFWAC-LSDHHAIUSA-N	1	0	369.387	1.825	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)CC3CCC3)C2)CC1	ZINC000981544721	808116204	/nfs/dbraw/zinc/11/62/04/808116204.db2.gz	PWSIXFPYWSVYDR-PKOBYXMFSA-N	1	0	359.514	1.923	20	30		FDEDRO
CCN1CC[NH+](CCCCNC(=O)NCC#Cc2cccc(F)c2)CC1	ZINC000512138313	808413332	/nfs/dbraw/zinc/41/33/32/808413332.db2.gz	KKKHPMSLGSLEHD-UHFFFAOYSA-N	1	0	360.477	1.894	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CCn1cccn1)C2	ZINC000981775096	808470159	/nfs/dbraw/zinc/47/01/59/808470159.db2.gz	SHPAACNOONCULU-MSOLQXFVSA-N	1	0	358.486	1.789	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1	ZINC000504353930	815210734	/nfs/dbraw/zinc/21/07/34/815210734.db2.gz	ZLKDHCLHSMGJHT-IAGOWNOFSA-N	1	0	354.458	1.412	20	30		FDEDRO
O=C(N1CC2(C1)CCC[N@H+](CC#Cc1ccccc1)C2)[C@]12C[C@H]1COC2	ZINC000981779212	808500614	/nfs/dbraw/zinc/50/06/14/808500614.db2.gz	XSVRRNFRPAUBBI-UGKGYDQZSA-N	1	0	350.462	1.999	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)cc1	ZINC001028141170	808632086	/nfs/dbraw/zinc/63/20/86/808632086.db2.gz	HSWBMWYYGPGBFW-SQNIBIBYSA-N	1	0	354.454	1.540	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)n1	ZINC000279270113	808679910	/nfs/dbraw/zinc/67/99/10/808679910.db2.gz	RPGAWOVEKXRMCM-IRXDYDNUSA-N	1	0	361.490	1.547	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN1CCn1cc(Cl)cn1	ZINC001028147448	808698844	/nfs/dbraw/zinc/69/88/44/808698844.db2.gz	YGPBTIISQLEUDA-XHSDSOJGSA-N	1	0	352.866	1.708	20	30		FDEDRO
C[N@H+](CCN1CCOCC1)Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000279334828	808931705	/nfs/dbraw/zinc/93/17/05/808931705.db2.gz	DEYRWEJGWWFGPK-UHFFFAOYSA-N	1	0	354.458	1.623	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc4c(c3)CCC(=O)N4C)C[C@H]21	ZINC001075621382	809188819	/nfs/dbraw/zinc/18/88/19/809188819.db2.gz	YMLGRNWVWYZWEI-UCLAIMLFSA-N	1	0	366.465	1.788	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CNC(=O)[C@@H](C)CC)C[C@H]1c1ccccc1	ZINC001211724161	809341035	/nfs/dbraw/zinc/34/10/35/809341035.db2.gz	PVQAIYXGKIQETE-YTQUADARSA-N	1	0	355.482	1.756	20	30		FDEDRO
CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	ZINC000419028129	809424048	/nfs/dbraw/zinc/42/40/48/809424048.db2.gz	DMXKVMMCFKYBQK-OFLPRAFFSA-N	1	0	372.469	1.464	20	30		FDEDRO
C[C@H](CC[NH3+])NC(=O)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	ZINC000419033795	809439808	/nfs/dbraw/zinc/43/98/08/809439808.db2.gz	MJBWJVJPLGAXJM-IUDNXUCKSA-N	1	0	358.442	1.218	20	30		FDEDRO
C[NH2+]C[C@H](C)CNC(=O)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	ZINC000419039186	809446727	/nfs/dbraw/zinc/44/67/27/809446727.db2.gz	VILOXKWWPXAKFF-OOHWJJMZSA-N	1	0	372.469	1.336	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C	ZINC000419051085	809485218	/nfs/dbraw/zinc/48/52/18/809485218.db2.gz	APGGKJMVRSXUPY-UAGQMJEPSA-N	1	0	359.470	1.519	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1	ZINC000419061896	809500485	/nfs/dbraw/zinc/50/04/85/809500485.db2.gz	VMQKZRSFKUBJHA-ZSYWTGECSA-N	1	0	355.482	1.876	20	30		FDEDRO
C[C@@H](OCC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)c1nccn1C	ZINC000512494605	809571463	/nfs/dbraw/zinc/57/14/63/809571463.db2.gz	QSWKNVAFMWMTGW-MRXNPFEDSA-N	1	0	369.469	1.960	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1	ZINC000424063614	815301800	/nfs/dbraw/zinc/30/18/00/815301800.db2.gz	IXTQFFQWWNJNPM-QQABJKMWSA-N	1	0	372.513	1.895	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NCc1cccc(NC(=O)c2ccncc2)c1	ZINC000424139400	815316121	/nfs/dbraw/zinc/31/61/21/815316121.db2.gz	AKPMFGJVQKBYLC-KRWDZBQOSA-N	1	0	351.410	1.971	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1c1ccccc1	ZINC001211732522	809797055	/nfs/dbraw/zinc/79/70/55/809797055.db2.gz	LZFYJEJEOQLRFI-DLBZAZTESA-N	1	0	354.454	1.498	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000473361052	809806119	/nfs/dbraw/zinc/80/61/19/809806119.db2.gz	NJGMEMQTDNOBHA-MRXNPFEDSA-N	1	0	370.453	1.422	20	30		FDEDRO
C[NH2+]CCNC(=O)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000419209752	809880740	/nfs/dbraw/zinc/88/07/40/809880740.db2.gz	PXUDODRURXVWIZ-AWEZNQCLSA-N	1	0	350.422	1.738	20	30		FDEDRO
Cn1cc(-c2nc([C@@H]3CCCCCN3C(=O)[C@H]([NH3+])CCCC#N)no2)cn1	ZINC000424184629	815320177	/nfs/dbraw/zinc/32/01/77/815320177.db2.gz	DJEUUDKIYAPHKF-CABCVRRESA-N	1	0	371.445	1.935	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H](C)n2cncn2)C1	ZINC001087454585	810046429	/nfs/dbraw/zinc/04/64/29/810046429.db2.gz	ZQEOUMJYMJLMGH-KFKAGJAMSA-N	1	0	369.444	1.976	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1	ZINC001087456186	810095184	/nfs/dbraw/zinc/09/51/84/810095184.db2.gz	IDFIOWBFMNOEKM-BHIYHBOVSA-N	1	0	371.456	1.649	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1	ZINC000424449857	815356674	/nfs/dbraw/zinc/35/66/74/815356674.db2.gz	UIRRQCIPZOZDCI-FZMZJTMJSA-N	1	0	371.359	1.810	20	30		FDEDRO
C=CC[N@@H+](C)CCN(CC)CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O	ZINC000411639716	810292480	/nfs/dbraw/zinc/29/24/80/810292480.db2.gz	JCPXREKSSUUQPH-UHFFFAOYSA-N	1	0	358.442	1.291	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)c1ccncc1	ZINC000785395748	815362895	/nfs/dbraw/zinc/36/28/95/815362895.db2.gz	IARMOSAPBQPHMW-ROUUACIJSA-N	1	0	374.485	1.288	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000261738534	810555316	/nfs/dbraw/zinc/55/53/16/810555316.db2.gz	MGLOKFRNOFEUFR-FJIDUMEYSA-N	1	0	364.534	1.420	20	30		FDEDRO
C[C@@H]1CC2(CN1C(=O)C(=O)NCC#Cc1cccc(F)c1)CC[NH2+]CC2	ZINC000424520099	815384981	/nfs/dbraw/zinc/38/49/81/815384981.db2.gz	KEJFPCRRJJPMIV-OAHLLOKOSA-N	1	0	357.429	1.284	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)C[C@@]2(C)C1	ZINC000982642675	810678869	/nfs/dbraw/zinc/67/88/69/810678869.db2.gz	SNSILCVAEXFQGM-UKAVVXHISA-N	1	0	370.497	1.482	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@@H+](CCn4cc(Cl)cn4)C[C@H]32)c1	ZINC001075658852	810910230	/nfs/dbraw/zinc/91/02/30/810910230.db2.gz	WXQQXYVDVZDVLO-XJKSGUPXSA-N	1	0	358.833	1.583	20	30		FDEDRO
C[C@@H](O)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1	ZINC001087463460	811108923	/nfs/dbraw/zinc/10/89/23/811108923.db2.gz	LAKLIGSYHVWTDF-UPRAQXHNSA-N	1	0	370.428	1.994	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCC2)N[C@H]1CCN(c2cccc(Cl)c2)C1	ZINC000261636450	811288270	/nfs/dbraw/zinc/28/82/70/811288270.db2.gz	CVTHFICLZIEYKU-AWEZNQCLSA-N	1	0	373.892	1.822	20	30		FDEDRO
C[NH+]=C(NCc1ccc(F)cc1F)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261653233	811292609	/nfs/dbraw/zinc/29/26/09/811292609.db2.gz	FGMMKWWPRXIFLL-UHFFFAOYSA-N	1	0	362.384	1.123	20	30		FDEDRO
[NH2+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)N1CCN(c2ncccn2)CC1	ZINC000261704987	811301500	/nfs/dbraw/zinc/30/15/00/811301500.db2.gz	UKDDBCJMDXDVFZ-ARFHVFGLSA-N	1	0	356.474	1.261	20	30		FDEDRO
C[NH+]=C(NCc1nc(-c2ccccc2)c[nH]1)N1CCC[C@H](CC(N)=O)C1	ZINC000261806286	811323701	/nfs/dbraw/zinc/32/37/01/811323701.db2.gz	RZHFSKFRFMIJBN-CQSZACIVSA-N	1	0	354.458	1.740	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000982820351	811326856	/nfs/dbraw/zinc/32/68/56/811326856.db2.gz	MJGCZULJAUEFFL-IXDOHACOSA-N	1	0	358.486	1.593	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCCC2)N1CC[C@@H](C)[C@@H](n2ccnc2)C1	ZINC000261963418	811355322	/nfs/dbraw/zinc/35/53/22/811355322.db2.gz	KVGKBIFXIMLLBK-CABCVRRESA-N	1	0	356.478	1.469	20	30		FDEDRO
C[NH+]=C(NCc1cnc(N(C)C)n1C)N1CC[C@H](Oc2ccccn2)C1	ZINC000262004605	811365509	/nfs/dbraw/zinc/36/55/09/811365509.db2.gz	VHHLSTQTUWSHOQ-HNNXBMFYSA-N	1	0	357.462	1.110	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NCC(=O)N2CCN(c3ccccc3)CC2)cc1	ZINC000262013592	811367195	/nfs/dbraw/zinc/36/71/95/811367195.db2.gz	VBOPWMAYUGRVLT-UHFFFAOYSA-N	1	0	367.453	1.771	20	30		FDEDRO
CN(C)C(=O)C[NH+]=C(NCc1ccn(C)c1)N[C@H]1CCOc2ccccc21	ZINC000262248204	811423511	/nfs/dbraw/zinc/42/35/11/811423511.db2.gz	BJGGARJQDCQBJB-KRWDZBQOSA-N	1	0	369.469	1.672	20	30		FDEDRO
C[C@@H]1C[C@H]([NH+]=C(NCC(=O)N(C)C)N[C@@H]2CCOc3ccccc32)CCO1	ZINC000262264746	811427384	/nfs/dbraw/zinc/42/73/84/811427384.db2.gz	FRIMOYIBSMTQNB-BFYDXBDKSA-N	1	0	374.485	1.701	20	30		FDEDRO
C[C@@H]1C[C@@H]([NH+]=C(NCC(=O)N(C)C)N[C@H]2CCc3ccccc3C2)CCO1	ZINC000262340105	811445420	/nfs/dbraw/zinc/44/54/20/811445420.db2.gz	WVHRQEPDGDDRBX-MNEFBYGVSA-N	1	0	372.513	1.735	20	30		FDEDRO
C[C@@]1(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)OCCc2sccc21	ZINC000262415990	811461976	/nfs/dbraw/zinc/46/19/76/811461976.db2.gz	YZYJGXRETVKZKG-SFHVURJKSA-N	1	0	372.498	1.463	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=[NH+]C)N2CC[C@@H](c3cnn(C)c3)C2)c1	ZINC000262426141	811465392	/nfs/dbraw/zinc/46/53/92/811465392.db2.gz	CQAIIGDEBCFHAO-MRXNPFEDSA-N	1	0	364.453	1.405	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCCCC2)N1CC[C@H](c2cnn(C)c2)C1	ZINC000262459207	811472765	/nfs/dbraw/zinc/47/27/65/811472765.db2.gz	LYMYPEGCWXQZTO-AWEZNQCLSA-N	1	0	356.478	1.303	20	30		FDEDRO
CC[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N1CC[C@H](c2cnn(C)c2)C1	ZINC000262749663	811545059	/nfs/dbraw/zinc/54/50/59/811545059.db2.gz	BOIMHPJPDXRLPV-CVEARBPZSA-N	1	0	370.505	1.337	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](O)C4CCCCC4)C[C@H]32)[nH]1	ZINC001075700589	815468055	/nfs/dbraw/zinc/46/80/55/815468055.db2.gz	WMFMYHOVEHLPHD-KFKAGJAMSA-N	1	0	356.470	1.974	20	30		FDEDRO
N#CC1(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CCC1	ZINC000419623400	812046370	/nfs/dbraw/zinc/04/63/70/812046370.db2.gz	IJKADTNWFJUPGS-QZTJIDSGSA-N	1	0	356.470	1.862	20	30		FDEDRO
N#Cc1ccccc1-c1ccc(CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)cc1	ZINC000419650017	812073635	/nfs/dbraw/zinc/07/36/35/812073635.db2.gz	TVIYXIKGQOECNN-SFHVURJKSA-N	1	0	362.433	1.710	20	30		FDEDRO
CN(C)c1ncc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1C	ZINC000419672169	812083367	/nfs/dbraw/zinc/08/33/67/812083367.db2.gz	AIYBCBSFADURMZ-QGZVFWFLSA-N	1	0	352.442	1.643	20	30		FDEDRO
O=C(NCC#Cc1cccc(F)c1)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1	ZINC000419683167	812090244	/nfs/dbraw/zinc/09/02/44/812090244.db2.gz	WTJLPJQKFRGFDL-MJGOQNOKSA-N	1	0	371.456	1.674	20	30		FDEDRO
C=CCC[C@H](NC(=O)C(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+])c1ccccc1	ZINC000419660493	812092676	/nfs/dbraw/zinc/09/26/76/812092676.db2.gz	CFDTXLJTCVJYST-SQNIBIBYSA-N	1	0	359.470	1.775	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)C(=O)NCCC[NH2+]C3CC3)CC2)cc1	ZINC000419845743	812253630	/nfs/dbraw/zinc/25/36/30/812253630.db2.gz	OHFZCYHUJMXZBJ-UHFFFAOYSA-N	1	0	370.453	1.186	20	30		FDEDRO
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)NCC[C@H]1CCC[NH2+]1	ZINC000419943799	812309203	/nfs/dbraw/zinc/30/92/03/812309203.db2.gz	HUPWYNNYFAXCLY-SQNIBIBYSA-N	1	0	354.454	1.543	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)N[C@H]3CCCC[NH2+]C3)CC2)cc1	ZINC000419959250	812310633	/nfs/dbraw/zinc/31/06/33/812310633.db2.gz	XAHVHZVJJJFRLR-SFHVURJKSA-N	1	0	352.438	1.432	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])C2CC2)cc1	ZINC000420016012	813409418	/nfs/dbraw/zinc/40/94/18/813409418.db2.gz	MHURUHIBFJTFGM-WMZOPIPTSA-N	1	0	354.454	1.683	20	30		FDEDRO
CCOC(=O)C1(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)CC[NH+](C)CC1	ZINC000366792047	813968647	/nfs/dbraw/zinc/96/86/47/813968647.db2.gz	XYUDGHZIJSVMCY-AWEZNQCLSA-N	1	0	359.426	1.469	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cc1	ZINC000983073860	814323765	/nfs/dbraw/zinc/32/37/65/814323765.db2.gz	NPGGBLIRUHQBQX-YSIASYRMSA-N	1	0	367.493	1.977	20	30		FDEDRO
CCN1CC[NH+](CCCCNC(=O)Nc2cc(C)n(CCC#N)n2)CC1	ZINC000272015714	814544486	/nfs/dbraw/zinc/54/44/86/814544486.db2.gz	BKUNWFDOAMYRDK-UHFFFAOYSA-N	1	0	361.494	1.644	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)N3CCC(C)(C#N)CC3)ccn2)CC1	ZINC000272411316	814689384	/nfs/dbraw/zinc/68/93/84/814689384.db2.gz	LPDGQZYSORZLEV-UHFFFAOYSA-N	1	0	356.474	1.669	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](O)CCc2ccccc2)CC1	ZINC000273370472	814793463	/nfs/dbraw/zinc/79/34/63/814793463.db2.gz	VPVIUOJTYKOKMH-QGZVFWFLSA-N	1	0	362.474	1.505	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2Cc3cccc(OC)c3C2)CC1	ZINC000422296253	814806723	/nfs/dbraw/zinc/80/67/23/814806723.db2.gz	OFWFPARBUVAETE-MRXNPFEDSA-N	1	0	357.454	1.045	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21	ZINC000422529536	814826975	/nfs/dbraw/zinc/82/69/75/814826975.db2.gz	PEZFSJOLORDTLD-IPMKNSEASA-N	1	0	355.482	1.843	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](C[C@H](O)c4ccc(F)cc4)C[C@H]32)c[nH]1	ZINC001075703677	815594886	/nfs/dbraw/zinc/59/48/86/815594886.db2.gz	LDIOJICHVBPBBO-KYNGSXCRSA-N	1	0	368.412	1.905	20	30		FDEDRO
C=CC[C@]1(C(=O)NC[C@H]2C[C@H](O)C[N@H+]2C)CCCN1C(=O)OC(C)(C)C	ZINC000924981727	815650516	/nfs/dbraw/zinc/65/05/16/815650516.db2.gz	LQFKDBQRZFLUOC-ZRGWGRIASA-N	1	0	367.490	1.513	20	30		FDEDRO
C[C@H](C(=O)N1CC[C@H]2CN(Cc3ccc(C#N)s3)C[C@H]21)n1cncn1	ZINC001075705377	815658375	/nfs/dbraw/zinc/65/83/75/815658375.db2.gz	LOFYDPUUDCRVPI-DVOMOZLQSA-N	1	0	356.455	1.505	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1	ZINC001028801929	815695276	/nfs/dbraw/zinc/69/52/76/815695276.db2.gz	GJRDUFWOKQBRIU-YTQUADARSA-N	1	0	371.456	1.340	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)cc1	ZINC001028807069	815758156	/nfs/dbraw/zinc/75/81/56/815758156.db2.gz	XYCQTQUXHJKHHM-KURKYZTESA-N	1	0	354.454	1.398	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)CN2CC[C@]3(CNC(=O)C3)C2)cc1	ZINC000434758270	815765095	/nfs/dbraw/zinc/76/50/95/815765095.db2.gz	SHFBTVZPBIFZQX-FQEVSTJZSA-N	1	0	370.453	1.544	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC(=O)N(C)c2ccccc2)C1	ZINC001028808548	815776735	/nfs/dbraw/zinc/77/67/35/815776735.db2.gz	AHAZLJSTYJOQHM-QRQLOZEOSA-N	1	0	371.481	1.679	20	30		FDEDRO
CC(C)N1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)C1=O	ZINC001075710557	815778319	/nfs/dbraw/zinc/77/83/19/815778319.db2.gz	AERUPGCHTAUMBP-RRQGHBQHSA-N	1	0	355.442	1.042	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(CC(=O)Nc2cccc(C)c2)C1	ZINC001028810224	815795466	/nfs/dbraw/zinc/79/54/66/815795466.db2.gz	ZKGLTQXGEXXPGC-UHOSZYNNSA-N	1	0	371.481	1.963	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NC(C)(C)C	ZINC001167957275	815887397	/nfs/dbraw/zinc/88/73/97/815887397.db2.gz	UWSLBJXGROYXMW-PMPSAXMXSA-N	1	0	353.507	1.757	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1	ZINC001087466157	816106047	/nfs/dbraw/zinc/10/60/47/816106047.db2.gz	CIGADXDNHJATBZ-BRWVUGGUSA-N	1	0	360.433	1.309	20	30		FDEDRO
C=C(C)CN1CCC([NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1	ZINC000515165603	816127304	/nfs/dbraw/zinc/12/73/04/816127304.db2.gz	DLZIPDQJQRFVOA-INIZCTEOSA-N	1	0	357.454	1.274	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1	ZINC000425405552	816160843	/nfs/dbraw/zinc/16/08/43/816160843.db2.gz	RDWBYQWFUHUBAX-RBUKOAKNSA-N	1	0	371.481	1.380	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cccc(C(N)=O)c2)C1	ZINC001028863801	816321164	/nfs/dbraw/zinc/32/11/64/816321164.db2.gz	CPECGGYQXINUQC-NEWSRXKRSA-N	1	0	371.481	1.705	20	30		FDEDRO
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1	ZINC000516259097	816728370	/nfs/dbraw/zinc/72/83/70/816728370.db2.gz	VQCRDJPAPKAYSN-UHFFFAOYSA-N	1	0	372.469	1.025	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)N1CCc2ccc(C#N)cc21)[N@@H+]1CCCC[C@@H]1C	ZINC000516319578	816754062	/nfs/dbraw/zinc/75/40/62/816754062.db2.gz	CLQMGWMTAMSWMG-GJZGRUSLSA-N	1	0	354.454	1.826	20	30		FDEDRO
C=CCn1cc(CNC(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)nn1	ZINC000425648560	816785583	/nfs/dbraw/zinc/78/55/83/816785583.db2.gz	VBAMFFORWQGATM-KRWDZBQOSA-N	1	0	358.446	1.575	20	30		FDEDRO
C[N@@H+]1CCC[C@H](CCNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1	ZINC000516411926	816806657	/nfs/dbraw/zinc/80/66/57/816806657.db2.gz	GCGFUCGXQUVDRD-MRXNPFEDSA-N	1	0	356.474	1.517	20	30		FDEDRO
N#Cc1cccc(NC(=O)C2CCN(C(=O)NC[C@@H]3CCC[NH2+]3)CC2)c1	ZINC000516960211	817132751	/nfs/dbraw/zinc/13/27/51/817132751.db2.gz	JVZFRNVOIKVEFX-KRWDZBQOSA-N	1	0	355.442	1.670	20	30		FDEDRO
C=CCn1cc(CNC(=O)N(CCC)CCN2CC[NH+](CC)CC2)nn1	ZINC000425867149	817246497	/nfs/dbraw/zinc/24/64/97/817246497.db2.gz	CBNITCSAJJTSCX-UHFFFAOYSA-N	1	0	363.510	1.023	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1	ZINC000425874794	817289470	/nfs/dbraw/zinc/28/94/70/817289470.db2.gz	DHSVFNKMNUQIPN-QAETUUGQSA-N	1	0	365.518	1.566	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1	ZINC000425882848	817300490	/nfs/dbraw/zinc/30/04/90/817300490.db2.gz	MNHKUQDIOVNDQA-WNHJNPCNSA-N	1	0	371.481	1.645	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1	ZINC000425891727	817330232	/nfs/dbraw/zinc/33/02/32/817330232.db2.gz	UFUVSEVEMLVZAB-NJAFHUGGSA-N	1	0	359.470	1.330	20	30		FDEDRO
COC1CC[NH+](C2(CNC(=O)Nc3ccn(CCC#N)n3)CCCC2)CC1	ZINC000438317092	817537806	/nfs/dbraw/zinc/53/78/06/817537806.db2.gz	IJBMMJLJFUDCOJ-UHFFFAOYSA-N	1	0	374.489	2.342	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1C#N	ZINC000517713755	817553367	/nfs/dbraw/zinc/55/33/67/817553367.db2.gz	AXFYDMNEAPDFBZ-HXUWFJFHSA-N	1	0	370.453	1.886	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1	ZINC000517758683	817565937	/nfs/dbraw/zinc/56/59/37/817565937.db2.gz	BOYAMVKRQOMUGI-CQSZACIVSA-N	1	0	358.442	1.742	20	30		FDEDRO
CN(CCCN1CC[NH+](C)CC1)C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C	ZINC000506502297	817883325	/nfs/dbraw/zinc/88/33/25/817883325.db2.gz	KXTUEHWNKTXZIC-IBGZPJMESA-N	1	0	366.506	1.344	20	30		FDEDRO
CN(C)C(NCCN1C(=O)c2ccccc2C1=O)=[NH+]Cc1ccccc1	ZINC000261986810	817921526	/nfs/dbraw/zinc/92/15/26/817921526.db2.gz	KIQPUHLEEOCAIR-UHFFFAOYSA-N	1	0	350.422	1.990	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC1	ZINC000518736124	817974747	/nfs/dbraw/zinc/97/47/47/817974747.db2.gz	QOCSKHREWUAIRM-KRWDZBQOSA-N	1	0	350.426	1.485	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNC(=O)N2CCC3(CC2)CC(=O)C=CO3)CCCO1	ZINC000894449914	818057253	/nfs/dbraw/zinc/05/72/53/818057253.db2.gz	XLVHXCWJKVJWHV-INIZCTEOSA-N	1	0	365.474	1.535	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CN(C(=O)CS(=O)(=O)CC(C)C)C[C@]2(C)C1	ZINC001101281241	818078957	/nfs/dbraw/zinc/07/89/57/818078957.db2.gz	JITVWAPPTRNTFO-AEFFLSMTSA-N	1	0	356.532	1.804	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2cc(=O)n(C)o2)C1	ZINC001087473385	818213747	/nfs/dbraw/zinc/21/37/47/818213747.db2.gz	AZQZHGQIDQTJEM-IRXDYDNUSA-N	1	0	371.437	1.761	20	30		FDEDRO
C[NH+]1CCC(Oc2ccc(CNC(=O)N3CCO[C@@](C)(C#N)C3)cc2)CC1	ZINC000894689719	818330529	/nfs/dbraw/zinc/33/05/29/818330529.db2.gz	KRSFDOATPTZAHJ-FQEVSTJZSA-N	1	0	372.469	1.984	20	30		FDEDRO
C#CCN1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)Cn2cccn2)C1	ZINC001087477202	818439205	/nfs/dbraw/zinc/43/92/05/818439205.db2.gz	BLHWTFAPHGGKRN-WMZOPIPTSA-N	1	0	370.428	1.638	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)c2nnc(CC)[nH]2)C1	ZINC000983698375	818593132	/nfs/dbraw/zinc/59/31/32/818593132.db2.gz	LUYAIGCRVUHCEA-GVRJEKJASA-N	1	0	361.490	1.894	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(OC)nn2)C1	ZINC000983699538	818609300	/nfs/dbraw/zinc/60/93/00/818609300.db2.gz	WDZLHVOPDISOLC-DZUCGIPZSA-N	1	0	360.458	1.451	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nn(CC)nc2C)C1	ZINC000983699839	818611404	/nfs/dbraw/zinc/61/14/04/818611404.db2.gz	YPYJBIGEQYHRJK-KONPQCLYSA-N	1	0	361.490	1.572	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2C2CC2)CC1	ZINC000937414406	818680114	/nfs/dbraw/zinc/68/01/14/818680114.db2.gz	JOEOCIWRTMMWRM-SLFFLAALSA-N	1	0	371.525	1.875	20	30		FDEDRO
C=CCOc1ccc(CNC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1	ZINC000664869292	818768345	/nfs/dbraw/zinc/76/83/45/818768345.db2.gz	SHGVIYFYKRATPZ-SFHVURJKSA-N	1	0	359.470	1.992	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]Cc2nnc(CC)o2)CC1	ZINC001029146870	818934908	/nfs/dbraw/zinc/93/49/08/818934908.db2.gz	WYWFKIBSWNQKNS-IMJJTQAJSA-N	1	0	362.474	1.940	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2CNC(=O)[C@@H]2C[C@H]2CC)CC1	ZINC000937420603	819116564	/nfs/dbraw/zinc/11/65/64/819116564.db2.gz	NOVNKFHZPSFMEV-NZSAHSFTSA-N	1	0	359.514	1.875	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1	ZINC000937423495	819181452	/nfs/dbraw/zinc/18/14/52/819181452.db2.gz	NPXFAWLIOAVKPW-KSZLIROESA-N	1	0	363.502	1.559	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc[n+]([O-])cc2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087493714	819240766	/nfs/dbraw/zinc/24/07/66/819240766.db2.gz	JBSDDOKVJYIQOE-RBUKOAKNSA-N	1	0	350.422	1.975	20	30		FDEDRO
C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H]1C[NH3+]	ZINC000520376415	819319208	/nfs/dbraw/zinc/31/92/08/819319208.db2.gz	ZCODQNMPJZQAGQ-FHLIZLRMSA-N	1	0	369.469	1.285	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N(CC)C1CC1	ZINC001167991676	819410124	/nfs/dbraw/zinc/41/01/24/819410124.db2.gz	NWSMTZDCBDYBBV-WMZOPIPTSA-N	1	0	351.491	1.465	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)C#CC1CC1	ZINC000983787592	819498283	/nfs/dbraw/zinc/49/82/83/819498283.db2.gz	JVQALFPHRUYYNZ-NEWSRXKRSA-N	1	0	355.482	1.241	20	30		FDEDRO
Cn1cc2c(n1)CCC[C@@H]2NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000328710117	819539387	/nfs/dbraw/zinc/53/93/87/819539387.db2.gz	GAKLAWGZJIITTH-WBVHZDCISA-N	1	0	361.490	1.756	20	30		FDEDRO
O=C(NC[C@H]1CCCn2ccnc21)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000328738562	819541411	/nfs/dbraw/zinc/54/14/11/819541411.db2.gz	MEUSWOPJQUBXFM-IAGOWNOFSA-N	1	0	361.490	1.719	20	30		FDEDRO
C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O)C(=O)N1CCCCC1	ZINC000328778409	819555083	/nfs/dbraw/zinc/55/50/83/819555083.db2.gz	IQDKSRGSPWGRMY-NXOAAHMSSA-N	1	0	367.490	1.206	20	30		FDEDRO
CC(=O)N1CC[C@@H](CN(C)C(=O)NCc2ccnc(N3CCCC3)c2)C1	ZINC000328858218	819568671	/nfs/dbraw/zinc/56/86/71/819568671.db2.gz	UUAQEPTVSGTITB-KRWDZBQOSA-N	1	0	359.474	1.896	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCN(C)c3ncccc32)C1	ZINC000328864061	819570623	/nfs/dbraw/zinc/57/06/23/819570623.db2.gz	BIDLVROIFFIOLU-MRXNPFEDSA-N	1	0	361.490	1.651	20	30		FDEDRO
CN1CCO[C@@H]2CCN(C(=O)NCc3ccnc(-n4cccn4)c3)C[C@H]21	ZINC000328901120	819571987	/nfs/dbraw/zinc/57/19/87/819571987.db2.gz	YRYKVUHQAPIPRA-HZPDHXFCSA-N	1	0	356.430	1.086	20	30		FDEDRO
CCC(=O)N1CCC[C@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1	ZINC000328927888	819595600	/nfs/dbraw/zinc/59/56/00/819595600.db2.gz	GDNZEXPIUWSYME-KRWDZBQOSA-N	1	0	373.501	1.939	20	30		FDEDRO
Cc1noc([C@H]2CN(C(=O)NCC3([NH+](C)C)CCCCC3)CCN2C)n1	ZINC000328962411	819600977	/nfs/dbraw/zinc/60/09/77/819600977.db2.gz	LBWBXCSGFKDQGG-OAHLLOKOSA-N	1	0	364.494	1.845	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC(NC(=O)C(C)C)CC2)C1	ZINC000330480062	819617232	/nfs/dbraw/zinc/61/72/32/819617232.db2.gz	QSQYOUYBBHHAMG-QGZVFWFLSA-N	1	0	368.522	1.494	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C[C@@H]1C	ZINC000330644715	819627678	/nfs/dbraw/zinc/62/76/78/819627678.db2.gz	KQQOMQMMOPLABR-FHWLQOOXSA-N	1	0	363.550	1.483	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1	ZINC000330811559	819644105	/nfs/dbraw/zinc/64/41/05/819644105.db2.gz	BVZDXMWODKGELY-HLIPFELVSA-N	1	0	363.550	1.530	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)CC1	ZINC000330880650	819647747	/nfs/dbraw/zinc/64/77/47/819647747.db2.gz	ZDRFERHDOYNFLJ-OKZBNKHCSA-N	1	0	364.534	1.408	20	30		FDEDRO
C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CCC(CC(=O)N(C)C)CC1	ZINC000331022396	819659235	/nfs/dbraw/zinc/65/92/35/819659235.db2.gz	SRSSSHDEZDVAPP-INIZCTEOSA-N	1	0	367.538	1.117	20	30		FDEDRO
CC(C)C(=O)NC1CCN(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1	ZINC000330995314	819660615	/nfs/dbraw/zinc/66/06/15/819660615.db2.gz	WUKVEJZSGVMNMS-INIZCTEOSA-N	1	0	367.538	1.021	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC2)CC1	ZINC000331289371	819676736	/nfs/dbraw/zinc/67/67/36/819676736.db2.gz	JOUAHEBZSDQVOU-HXUWFJFHSA-N	1	0	363.550	1.531	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CC2(C1)OC(=O)Nc1ccc(F)cc12	ZINC000895056792	819715421	/nfs/dbraw/zinc/71/54/21/819715421.db2.gz	RBCHXQVSKGYJAX-UHFFFAOYSA-N	1	0	360.389	1.563	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)C2CCC2)CC1	ZINC000983852388	819788723	/nfs/dbraw/zinc/78/87/23/819788723.db2.gz	ZKQQMMHMYXCTAR-APWZRJJASA-N	1	0	359.514	1.875	20	30		FDEDRO
CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH+]1CCN(C(=O)CC#N)CC1	ZINC000895065704	819837607	/nfs/dbraw/zinc/83/76/07/819837607.db2.gz	HPLZJBUDWYALEU-OAHLLOKOSA-N	1	0	352.479	1.841	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1	ZINC000459033139	819872493	/nfs/dbraw/zinc/87/24/93/819872493.db2.gz	AHMISKARWWMAIV-MSOLQXFVSA-N	1	0	364.534	1.779	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)C[C@@H]2O)[nH]1	ZINC001083413297	820008737	/nfs/dbraw/zinc/00/87/37/820008737.db2.gz	HSRXSXJPDSTYGP-MOPGFXCFSA-N	1	0	350.422	1.739	20	30		FDEDRO
N#Cc1ccccc1CN1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1	ZINC001075798428	820432713	/nfs/dbraw/zinc/43/27/13/820432713.db2.gz	ANVNTBAXJYXESZ-PWRODBHTSA-N	1	0	364.493	1.933	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H](O)COC)C2)CC1	ZINC001112160152	820434505	/nfs/dbraw/zinc/43/45/05/820434505.db2.gz	VFFHXILCSJCCOF-RBSFLKMASA-N	1	0	364.408	1.719	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cncc(C)c3)[C@H]2CC)C1=O	ZINC001087529629	820607350	/nfs/dbraw/zinc/60/73/50/820607350.db2.gz	NTLYRRJJLDUWSA-RCCFBDPRSA-N	1	0	356.470	1.760	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2	ZINC000984043925	820636226	/nfs/dbraw/zinc/63/62/26/820636226.db2.gz	XVHSQYQSWMPXAV-IKGGRYGDSA-N	1	0	360.502	1.765	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000984040962	820643632	/nfs/dbraw/zinc/64/36/32/820643632.db2.gz	QQZMONWDALOGGY-VNQPRFMTSA-N	1	0	357.458	1.290	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cccc(=O)[nH]3)[C@H]2CC)C1=O	ZINC001087532220	820684492	/nfs/dbraw/zinc/68/44/92/820684492.db2.gz	XJPGKZUMNCPJDR-IMJJTQAJSA-N	1	0	358.442	1.157	20	30		FDEDRO
C[NH+](C)CC(=O)N1CCN(c2nc3c(cc2C#N)CCCC3(C)C)CC1	ZINC000428127028	820917550	/nfs/dbraw/zinc/91/75/50/820917550.db2.gz	WWYNDUPHJHSBEC-UHFFFAOYSA-N	1	0	355.486	1.777	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)ncc1C#N	ZINC000520834959	820962696	/nfs/dbraw/zinc/96/26/96/820962696.db2.gz	SWHSQNDLKRZZPN-AWEZNQCLSA-N	1	0	357.458	1.829	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3cc(C)n[nH]3)[C@H]2CC)C1=O	ZINC001087538755	821036225	/nfs/dbraw/zinc/03/62/25/821036225.db2.gz	IKCSSQNWRNHLRF-GVDBMIGSSA-N	1	0	359.474	1.017	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1	ZINC000442259310	821099953	/nfs/dbraw/zinc/09/99/53/821099953.db2.gz	BWSGQKPAHRSHTP-UHFFFAOYSA-N	1	0	372.469	1.022	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(=O)N(C)C)c(C)c2)CC1	ZINC000442295547	821126816	/nfs/dbraw/zinc/12/68/16/821126816.db2.gz	ABNKKQMVLJNAQL-UHFFFAOYSA-N	1	0	372.469	1.402	20	30		FDEDRO
O=C1[C@@H]([NH2+]Cc2ccc(I)s2)CCCN1O	ZINC000895158463	821194788	/nfs/dbraw/zinc/19/47/88/821194788.db2.gz	JQUOTUJDWDKBAO-QMMMGPOBSA-N	1	0	352.197	1.823	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1CCO[C@H]1CC1(F)F	ZINC001087545421	821245978	/nfs/dbraw/zinc/24/59/78/821245978.db2.gz	JAISEOBKMUKMBH-CFVMTHIKSA-N	1	0	352.385	1.893	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1CCO[C@@H]1CC1(F)F	ZINC001087545422	821246188	/nfs/dbraw/zinc/24/61/88/821246188.db2.gz	JAISEOBKMUKMBH-NWANDNLSSA-N	1	0	352.385	1.893	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)N[C@H]3C[NH2+]CCC3(F)F)CC2)cc1	ZINC000521412310	821247466	/nfs/dbraw/zinc/24/74/66/821247466.db2.gz	ZTXBCUJNDBTKRR-INIZCTEOSA-N	1	0	363.412	1.383	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1CC(=O)N1CCCC[C@@H]1C	ZINC001087545989	821252158	/nfs/dbraw/zinc/25/21/58/821252158.db2.gz	LHYDESFTVBFGON-QILLFSRXSA-N	1	0	371.485	1.870	20	30		FDEDRO
C[NH2+]C[C@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000521590781	821306087	/nfs/dbraw/zinc/30/60/87/821306087.db2.gz	IOXQOELIFFTQJT-QZTJIDSGSA-N	1	0	369.469	1.300	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1ccn(C)c(=O)c1	ZINC001087548792	821308624	/nfs/dbraw/zinc/30/86/24/821308624.db2.gz	OXASAXDUBWFLEA-DLBZAZTESA-N	1	0	353.426	1.368	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccc(F)cn3)[C@H]2CC)C1=O	ZINC001087549688	821317239	/nfs/dbraw/zinc/31/72/39/821317239.db2.gz	MOLCQFGBYSORGW-USXIJHARSA-N	1	0	360.433	1.590	20	30		FDEDRO
C=C(Br)CN1CC[C@H](NC(=O)c2cnn(C)c2N)[C@H]1CC	ZINC001087550821	821360125	/nfs/dbraw/zinc/36/01/25/821360125.db2.gz	VIBSFXWVNOKIIG-NWDGAFQWSA-N	1	0	356.268	1.494	20	30		FDEDRO
C[C@@]1(C[C@H]2CCC[N@@H+]2Cc2cnc3ccc(C#N)cn23)NC(=O)NC1=O	ZINC000521851743	821367848	/nfs/dbraw/zinc/36/78/48/821367848.db2.gz	JHBBVMAEDHISSH-ACJLOTCBSA-N	1	0	352.398	1.159	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CC(=O)N(CC)C2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087592799	821637923	/nfs/dbraw/zinc/63/79/23/821637923.db2.gz	YJMRBQCYIUHPIH-SLFFLAALSA-N	1	0	367.493	1.876	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cnc[nH]c2=O)CC[N@@H+]1Cc1ccc(F)c(C#N)c1	ZINC001087617227	821763391	/nfs/dbraw/zinc/76/33/91/821763391.db2.gz	NPOAPGWDMCRINK-DLBZAZTESA-N	1	0	369.400	1.976	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@]2(C)CNC(=O)C2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087669266	821972179	/nfs/dbraw/zinc/97/21/79/821972179.db2.gz	XPPBTYMVNAMIOG-QKLQHJQFSA-N	1	0	354.454	1.554	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3cncc(C)c3)[C@H]2CC)C1=O	ZINC001087673925	821986144	/nfs/dbraw/zinc/98/61/44/821986144.db2.gz	IBSORTNJIRFDQZ-IPMKNSEASA-N	1	0	370.497	1.689	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000984261372	822005509	/nfs/dbraw/zinc/00/55/09/822005509.db2.gz	QTDILUIRPRBUHA-FVQBIDKESA-N	1	0	357.458	1.290	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3cc(=O)n4nccc4[nH]3)[C@@H]2CC)C1	ZINC001087718004	822182065	/nfs/dbraw/zinc/18/20/65/822182065.db2.gz	UYVSJVFROGHXEY-JKSUJKDBSA-N	1	0	369.469	1.848	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCN(CC=C)C3=O)[C@@H]2CC)c1	ZINC001087718827	822184862	/nfs/dbraw/zinc/18/48/62/822184862.db2.gz	LJFBYIZASOBVDC-IPMKNSEASA-N	1	0	366.465	1.433	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2)[C@@H]1CC	ZINC001087729544	822261289	/nfs/dbraw/zinc/26/12/89/822261289.db2.gz	ILWSWTXGPWCPSS-HCXYKTFWSA-N	1	0	371.481	1.846	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCCCC2)[C@@H]1CC	ZINC001087729415	822261306	/nfs/dbraw/zinc/26/13/06/822261306.db2.gz	BGJOUMHJEXARLI-XDNAFOTISA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CCC3CCOCC3)[C@@H]2CC)nn1	ZINC001087754207	822368828	/nfs/dbraw/zinc/36/88/28/822368828.db2.gz	TVUMOBKNKIDLIA-FUHWJXTLSA-N	1	0	361.490	1.864	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CCO[C@@H]3CC3(F)F)[C@@H]2CC)nn1	ZINC001087754244	822369304	/nfs/dbraw/zinc/36/93/04/822369304.db2.gz	VNPKVNWRDLRVQX-NWANDNLSSA-N	1	0	369.416	1.471	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3cc(C)n(C)n3)[C@@H]2CC)CC1	ZINC001087840461	822559599	/nfs/dbraw/zinc/55/95/99/822559599.db2.gz	YHAQDPMEWRAKLF-VQTJNVASSA-N	1	0	371.529	1.543	20	30		FDEDRO
N#Cc1ccc(N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c(CS(N)(=O)=O)c1	ZINC000895570437	822654134	/nfs/dbraw/zinc/65/41/34/822654134.db2.gz	SYNGYWMKECCATO-CVEARBPZSA-N	1	0	366.512	1.338	20	30		FDEDRO
N#Cc1cc(S(N)(=O)=O)ccc1N[C@@H]1CCC[N@@H+]2CCSC[C@H]12	ZINC000895571786	822654830	/nfs/dbraw/zinc/65/48/30/822654830.db2.gz	OURUSGQXQAJEMJ-HUUCEWRRSA-N	1	0	352.485	1.197	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccccc4O)C[C@@H]3C2)C1=O	ZINC001087890208	822732322	/nfs/dbraw/zinc/73/23/22/822732322.db2.gz	YTMMWDOTAWYJRK-RYRKJORJSA-N	1	0	369.465	1.573	20	30		FDEDRO
Cc1c(C(=O)NCc2cccc(OCC[NH+](C)C)c2)cnn1CCC#N	ZINC000895765141	822734529	/nfs/dbraw/zinc/73/45/29/822734529.db2.gz	YSIINPYNRULJIS-UHFFFAOYSA-N	1	0	355.442	1.976	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCOC3)C[C@@H]2C1	ZINC001087902916	822779712	/nfs/dbraw/zinc/77/97/12/822779712.db2.gz	UVXGFKKKDNMQOF-LMMKCTJWSA-N	1	0	369.465	1.884	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1	ZINC000525288544	828551380	/nfs/dbraw/zinc/55/13/80/828551380.db2.gz	WYKKBDAABQQSNX-UHFFFAOYSA-N	1	0	360.370	1.013	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C(=O)N(C)C)cc3)CC[C@@H]2C1	ZINC001087909210	823754026	/nfs/dbraw/zinc/75/40/26/823754026.db2.gz	CRERVEZWEVFQPZ-IPELMVKDSA-N	1	0	368.481	1.828	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3cn(C)nc3C(F)F)CC[C@@H]2C1	ZINC001087911129	823771660	/nfs/dbraw/zinc/77/16/60/823771660.db2.gz	KYSFPQCSCAXNJZ-XQQFMLRXSA-N	1	0	351.401	1.798	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3cnc(C(F)(F)F)nc3)CC[C@@H]2C1	ZINC001087912091	823778687	/nfs/dbraw/zinc/77/86/87/823778687.db2.gz	WZNFIMQTPSPJEM-BNOWGMLFSA-N	1	0	367.375	1.935	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](n2cc(C[NH2+]CCCF)nn2)C1	ZINC001098728984	828574528	/nfs/dbraw/zinc/57/45/28/828574528.db2.gz	XUKVDSXJRAGDBD-XHSDSOJGSA-N	1	0	351.426	1.092	20	30		FDEDRO
Cc1c(C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cnn1CCC#N	ZINC000896023216	823943479	/nfs/dbraw/zinc/94/34/79/823943479.db2.gz	GQVVLQRFPUWKNI-IAGOWNOFSA-N	1	0	372.517	1.736	20	30		FDEDRO
Cn1cc(CC[N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]3C2)cn1	ZINC001087934432	823991676	/nfs/dbraw/zinc/99/16/76/823991676.db2.gz	FVGXXGUJRCYNER-CVEARBPZSA-N	1	0	352.442	1.256	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]3C2)C1=O	ZINC001087939006	824019738	/nfs/dbraw/zinc/01/97/38/824019738.db2.gz	VTHHAVLMGUIVJG-RVKKMQEKSA-N	1	0	367.453	1.067	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4c(C)ccn4C)C[C@@H]3C2)C1=O	ZINC001087947127	824064428	/nfs/dbraw/zinc/06/44/28/824064428.db2.gz	MWZOZWSPCRLAGA-FGTMMUONSA-N	1	0	370.497	1.514	20	30		FDEDRO
Cn1nccc1CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@@H]2C1	ZINC001087949119	824085217	/nfs/dbraw/zinc/08/52/17/824085217.db2.gz	KXCMKZAZFSPJID-MOPGFXCFSA-N	1	0	363.465	1.815	20	30		FDEDRO
Cn1nncc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)CC[C@@H]2C1	ZINC001087953410	824129925	/nfs/dbraw/zinc/12/99/25/824129925.db2.gz	UAUFXCKXNPKWJZ-OLZOCXBDSA-N	1	0	356.455	1.342	20	30		FDEDRO
C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1	ZINC001087961855	824183036	/nfs/dbraw/zinc/18/30/36/824183036.db2.gz	MLJXPVHVLMSBRL-RLLQIKCJSA-N	1	0	371.525	1.827	20	30		FDEDRO
Cn1ccc(CC(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)s4)CC[C@@H]3C2)n1	ZINC001087963955	824214346	/nfs/dbraw/zinc/21/43/46/824214346.db2.gz	OOYGIGXNDDMLHD-CABCVRRESA-N	1	0	369.494	1.876	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CC[C@@H]3[C@H]1CCC[N@H+]3CCO)C2	ZINC000896264024	824261219	/nfs/dbraw/zinc/26/12/19/824261219.db2.gz	LVPIOPDZRDKUCE-GUDVDZBRSA-N	1	0	354.454	1.266	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)Cn2ccnc2C)C1	ZINC000984671784	824450790	/nfs/dbraw/zinc/45/07/90/824450790.db2.gz	YLBSQMUJOUHBCW-BBWFWOEESA-N	1	0	360.458	1.232	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2OC)C1	ZINC001029846756	828658626	/nfs/dbraw/zinc/65/86/26/828658626.db2.gz	KJNKPWKQMLDSNU-NXHRZFHOSA-N	1	0	359.470	1.962	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)NCC[NH+]2CCC(C)CC2)C1	ZINC000329019589	824534662	/nfs/dbraw/zinc/53/46/62/824534662.db2.gz	HJXBGJKHNBGDHA-IRXDYDNUSA-N	1	0	366.506	1.344	20	30		FDEDRO
CN1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@H]1c1nc(C2CC2)no1	ZINC000329052248	824548725	/nfs/dbraw/zinc/54/87/25/824548725.db2.gz	RPMABTGBOMCBBW-OAGGEKHMSA-N	1	0	374.489	1.776	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1	ZINC000329068569	824554576	/nfs/dbraw/zinc/55/45/76/824554576.db2.gz	XPISNNHHOFLYEE-HZMVEIRTSA-N	1	0	364.490	1.239	20	30		FDEDRO
Cc1noc([C@H]2CN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCN2C)n1	ZINC000329088586	824571924	/nfs/dbraw/zinc/57/19/24/824571924.db2.gz	VQGFWLOPHDTPCP-WTXIUTQJSA-N	1	0	362.478	1.596	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCO[C@@]3(CCCOC3)C2)C1	ZINC000329091401	824574078	/nfs/dbraw/zinc/57/40/78/824574078.db2.gz	WWSYBWXBDYQEQN-MJGOQNOKSA-N	1	0	369.506	1.181	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1CNC(=O)N1C[C@@H](OC)C[C@H]1C(=O)N1CCCC1	ZINC000329112364	824601096	/nfs/dbraw/zinc/60/10/96/824601096.db2.gz	HBLTWQGQTDQNLP-ULQDDVLXSA-N	1	0	366.506	1.487	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CN(C)CCO3)[C@H]2CC)cc1	ZINC000984729289	824615846	/nfs/dbraw/zinc/61/58/46/824615846.db2.gz	SNXYFDMQMJGYSK-IPMKNSEASA-N	1	0	369.465	1.108	20	30		FDEDRO
Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@@H]4OCCN(C)[C@H]4C3)C2)nn1	ZINC000329141440	824625435	/nfs/dbraw/zinc/62/54/35/824625435.db2.gz	UHSZPJWIDLCOTB-ULQDDVLXSA-N	1	0	374.489	1.073	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCC[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC001059427070	824651948	/nfs/dbraw/zinc/65/19/48/824651948.db2.gz	DLTYAIJVTWPVNF-IJEWVQPXSA-N	1	0	357.458	1.195	20	30		FDEDRO
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C	ZINC000896582749	824670177	/nfs/dbraw/zinc/67/01/77/824670177.db2.gz	TZCOJBMCJMHPPN-CJNGLKHVSA-N	1	0	355.442	1.615	20	30		FDEDRO
C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CNC(=O)NCc1ccc(F)cc1	ZINC000329242793	824691897	/nfs/dbraw/zinc/69/18/97/824691897.db2.gz	SLPSVAJPWXZGRA-RHSMWYFYSA-N	1	0	362.449	1.915	20	30		FDEDRO
CC1(C)CN(Cc2cc(Br)ccc2C#N)CCN1CC(N)=O	ZINC001141903079	824693630	/nfs/dbraw/zinc/69/36/30/824693630.db2.gz	PLLUCMDXEALYEV-UHFFFAOYSA-N	1	0	365.275	1.702	20	30		FDEDRO
C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@@]2(C1)NC(=O)N(C)C2=O	ZINC000329254339	824697223	/nfs/dbraw/zinc/69/72/23/824697223.db2.gz	WUFMHPHAUYFFDI-AHXJXLJNSA-N	1	0	365.478	1.097	20	30		FDEDRO
N#Cc1c(F)cccc1N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1	ZINC000329304258	824725188	/nfs/dbraw/zinc/72/51/88/824725188.db2.gz	OFSAQAPOZBGRPD-CQSZACIVSA-N	1	0	357.433	1.970	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCC([NH+]3CCCCC3)CC2)O1	ZINC000329385936	824766069	/nfs/dbraw/zinc/76/60/69/824766069.db2.gz	PMOMADVCDWYSOF-IRXDYDNUSA-N	1	0	366.506	1.487	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)CC1	ZINC000329402929	824773135	/nfs/dbraw/zinc/77/31/35/824773135.db2.gz	WORYJBFYBFRNJY-UHFFFAOYSA-N	1	0	363.462	1.162	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@H]1C[N@@H+](C)CCN1C	ZINC000329436029	824786420	/nfs/dbraw/zinc/78/64/20/824786420.db2.gz	JERUZWVQYNFDMM-INIZCTEOSA-N	1	0	369.473	1.353	20	30		FDEDRO
Cc1nn(C(C)(C)C)cc1C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1	ZINC000329462753	824811207	/nfs/dbraw/zinc/81/12/07/824811207.db2.gz	TVBILOLJKRJWPE-MRXNPFEDSA-N	1	0	361.490	1.946	20	30		FDEDRO
CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)C[C@H]1C	ZINC000329482510	824828053	/nfs/dbraw/zinc/82/80/53/824828053.db2.gz	PYBBYJLUEHYLLC-UMPJEAMMSA-N	1	0	362.478	1.020	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)[C@H]1CCCOC1	ZINC000329483122	824828529	/nfs/dbraw/zinc/82/85/29/824828529.db2.gz	FBMCOAAACJHVSZ-KBPBESRZSA-N	1	0	373.461	1.214	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000329483657	824828642	/nfs/dbraw/zinc/82/86/42/824828642.db2.gz	FGAFOOCAAIXCSZ-IAGOWNOFSA-N	1	0	365.522	1.997	20	30		FDEDRO
Cc1noc([C@H](C)N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)n1	ZINC000329485369	824829833	/nfs/dbraw/zinc/82/98/33/824829833.db2.gz	SOJYHAASYNZKJZ-IMJJTQAJSA-N	1	0	362.478	1.597	20	30		FDEDRO
Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCO[C@H]3CCC[C@H]32)CCC[N@@H+]1C	ZINC000329521152	824851538	/nfs/dbraw/zinc/85/15/38/824851538.db2.gz	QPDOLOIKKZXHHL-CIRFHOKZSA-N	1	0	361.490	1.970	20	30		FDEDRO
Cc1noc([C@H](NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C2CCOCC2)n1	ZINC000329527313	824853884	/nfs/dbraw/zinc/85/38/84/824853884.db2.gz	UGFMLDQLBVFUGM-JKSUJKDBSA-N	1	0	363.462	1.930	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)CC[C@H]1CCC[N@@H+]1C	ZINC000984777951	824876152	/nfs/dbraw/zinc/87/61/52/824876152.db2.gz	BEOPHORVNJHDBM-SOLBZPMBSA-N	1	0	371.485	1.870	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)Cn1cncc1C	ZINC000984781105	824892761	/nfs/dbraw/zinc/89/27/61/824892761.db2.gz	BGJUQGAEBLPATE-GOEBONIOSA-N	1	0	354.414	1.201	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCC3(O)CC[NH+](C)CC3)C2)n1	ZINC000474980113	824892927	/nfs/dbraw/zinc/89/29/27/824892927.db2.gz	ZNKHPGLMEPOMTH-QGZVFWFLSA-N	1	0	371.485	1.051	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c(CC)nn(C)c3CC)C[C@@H]2C1	ZINC001087996999	825008809	/nfs/dbraw/zinc/00/88/09/825008809.db2.gz	GFKVEQJCNSDTFZ-SJORKVTESA-N	1	0	356.514	1.891	20	30		FDEDRO
Cc1ccc(N2CCC[C@H](NC(=O)N3C[C@@H]4CCC[N@H+]4C[C@H]3C)C2)nn1	ZINC000329638202	825087305	/nfs/dbraw/zinc/08/73/05/825087305.db2.gz	YTACTIXGSFBHMV-IKGGRYGDSA-N	1	0	358.490	1.836	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccnn3CC(F)(F)F)C[C@@H]2C1	ZINC001088003836	825114592	/nfs/dbraw/zinc/11/45/92/825114592.db2.gz	WCFBNPUTEJOCHN-KGLIPLIRSA-N	1	0	354.376	1.863	20	30		FDEDRO
CC[NH+]1CCN(CC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1	ZINC000525872275	828751570	/nfs/dbraw/zinc/75/15/70/828751570.db2.gz	CVVUNKDPPULGPE-UHFFFAOYSA-N	1	0	371.485	1.397	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cnc4ccccn4c3=O)C[C@@H]2C1	ZINC001088016179	825270814	/nfs/dbraw/zinc/27/08/14/825270814.db2.gz	SIANSUBFFAASSP-CVEARBPZSA-N	1	0	350.422	1.112	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H]3C[N@H+]([C@H]4CCNC4=O)CC[C@@H]3C2)cc1	ZINC001088016660	825273490	/nfs/dbraw/zinc/27/34/90/825273490.db2.gz	PFTLNKPFBWIYHR-AOIWGVFYSA-N	1	0	369.465	1.534	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)N[C@@H]1CCc2nc(C)nn2C1	ZINC000262332895	825299500	/nfs/dbraw/zinc/29/95/00/825299500.db2.gz	BISUHIGYVPBCIM-YALNPMBYSA-N	1	0	360.506	1.660	20	30		FDEDRO
C=C(Br)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCC(=O)NC3)C[C@@H]2C1	ZINC001088021957	825342636	/nfs/dbraw/zinc/34/26/36/825342636.db2.gz	MVGYKLLUKLWBBA-MCIONIFRSA-N	1	0	370.291	1.202	20	30		FDEDRO
C=CC[N@@H+](C[C@](C)(O)C(=O)OCC)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000475029842	825361514	/nfs/dbraw/zinc/36/15/14/825361514.db2.gz	FUGAQWNIQJXJQA-KDOFPFPSSA-N	1	0	359.430	1.525	20	30		FDEDRO
C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCN3C(=O)NC[C@@H]3C2)C1	ZINC000329769970	825441048	/nfs/dbraw/zinc/44/10/48/825441048.db2.gz	IHXQJMDXSVJDAX-HYVNUMGLSA-N	1	0	357.458	1.650	20	30		FDEDRO
COCCN1CCCN(C(=O)NCC2([NH+](C)C)CCCCCC2)CC1=O	ZINC000329849870	825500048	/nfs/dbraw/zinc/50/00/48/825500048.db2.gz	NVKTYXPMVJYTOA-UHFFFAOYSA-N	1	0	368.522	1.736	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNC(=O)CN2CCc3ccccc3C2=O)CC1	ZINC000329869210	825515781	/nfs/dbraw/zinc/51/57/81/825515781.db2.gz	YLYVHQJXYSYGGF-MRXNPFEDSA-N	1	0	358.486	1.667	20	30		FDEDRO
CC(C)c1nnc([C@@H]2CN(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)CCO2)o1	ZINC000329905697	825536436	/nfs/dbraw/zinc/53/64/36/825536436.db2.gz	JRMHFQFUGIZQIH-HIFRSBDPSA-N	1	0	363.462	1.965	20	30		FDEDRO
CCN(CC)C(=O)C1CCN(C(=O)NC[C@H]2CCc3nccn3C2)CC1	ZINC000329931374	825549946	/nfs/dbraw/zinc/54/99/46/825549946.db2.gz	ARDDIGSOSZEXHE-OAHLLOKOSA-N	1	0	361.490	1.940	20	30		FDEDRO
Cn1ccnc1[C@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCN1C	ZINC000329947795	825558995	/nfs/dbraw/zinc/55/89/95/825558995.db2.gz	HFJIZZSXTOFZQT-NPYXIHBLSA-N	1	0	360.506	1.638	20	30		FDEDRO
O=C(CN1CC[C@H]([NH+]2CCCCC2)C1)Nc1cc(-n2cnnn2)ccc1F	ZINC000329978428	825574695	/nfs/dbraw/zinc/57/46/95/825574695.db2.gz	HOBFUWZPIRSFMX-HNNXBMFYSA-N	1	0	373.436	1.950	20	30		FDEDRO
CC1(O)CCN(c2cc(N3CCC4(CC3)CC(=O)C=CO4)ncn2)CC1	ZINC000896883098	825579959	/nfs/dbraw/zinc/57/99/59/825579959.db2.gz	ZQWGNCYWBLNXDV-UHFFFAOYSA-N	1	0	358.442	1.670	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cnn2c1C[C@H](CNC(C)=O)CC2	ZINC000330134539	825665075	/nfs/dbraw/zinc/66/50/75/825665075.db2.gz	MLDGQFOODAFHNJ-HZPDHXFCSA-N	1	0	361.490	1.978	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)CC[N@@H+]1C	ZINC000330145110	825673910	/nfs/dbraw/zinc/67/39/10/825673910.db2.gz	HENHGMGOVHNTTM-IAGOWNOFSA-N	1	0	373.501	1.950	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCc3ccccc3C2)CC1	ZINC000330157195	825691337	/nfs/dbraw/zinc/69/13/37/825691337.db2.gz	ZEYZBVWJKPNOCS-RTBURBONSA-N	1	0	370.497	1.696	20	30		FDEDRO
C[C@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)c1nnc2n1CCC2	ZINC000330203563	825731803	/nfs/dbraw/zinc/73/18/03/825731803.db2.gz	AWWCTHGPTPBPHR-KBPBESRZSA-N	1	0	362.478	1.384	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@@H]1CCCN(c2ccccc2F)C1)=[NH+]C1CC1	ZINC000262352675	825735431	/nfs/dbraw/zinc/73/54/31/825735431.db2.gz	ZCYDYNXRVWHNIO-OAHLLOKOSA-N	1	0	361.465	1.580	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCC(c2ncc[nH]2)CC1	ZINC000330238108	825750317	/nfs/dbraw/zinc/75/03/17/825750317.db2.gz	VAAWJTYXYNVRPG-SJORKVTESA-N	1	0	361.490	1.881	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCCc2c1cnn2C	ZINC000330250467	825766528	/nfs/dbraw/zinc/76/65/28/825766528.db2.gz	GVWAMJYTJKMVHC-WMLDXEAASA-N	1	0	361.490	1.897	20	30		FDEDRO
O=C(NCC1([NH+]2CCOCC2)CCCCC1)N[C@H]1CCn2ccnc2C1	ZINC000330251746	825767359	/nfs/dbraw/zinc/76/73/59/825767359.db2.gz	NRYGQPCFJIXVCJ-INIZCTEOSA-N	1	0	361.490	1.737	20	30		FDEDRO
Cc1c([C@H]2OCC[C@@H]2C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)cnn1C	ZINC000330281153	825792534	/nfs/dbraw/zinc/79/25/34/825792534.db2.gz	UFQCEDXYJKHKGJ-BQFCYCMXSA-N	1	0	364.490	1.855	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](CC3CCS(=O)(=O)CC3)CC[C@@H]2C1	ZINC001088067287	825803168	/nfs/dbraw/zinc/80/31/68/825803168.db2.gz	XQESBMXYKZAVDR-SJORKVTESA-N	1	0	368.543	1.804	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](CC[C@H]3CCS(=O)(=O)C3)CC[C@@H]2C1	ZINC001088067322	825803527	/nfs/dbraw/zinc/80/35/27/825803527.db2.gz	ZRZUWILMBMBMJZ-BBWFWOEESA-N	1	0	368.543	1.804	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CCCN(Cc3nnc4n3CCOC4)CC2)cc1	ZINC000281002744	825846913	/nfs/dbraw/zinc/84/69/13/825846913.db2.gz	GGXKZSXIOIKJMS-UHFFFAOYSA-N	1	0	352.442	1.388	20	30		FDEDRO
CN(C)CC[NH+]1CCC(CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1	ZINC000281012394	825851038	/nfs/dbraw/zinc/85/10/38/825851038.db2.gz	VFBAXXLYFYFSOI-FQEVSTJZSA-N	1	0	367.497	1.630	20	30		FDEDRO
CNC(=O)[C@@]1(C)CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1	ZINC000281308939	825928664	/nfs/dbraw/zinc/92/86/64/825928664.db2.gz	XNMYZWZHLKDKSD-KUHUBIRLSA-N	1	0	360.433	1.919	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H](Oc3cccnc3N(C)C)C2)C1	ZINC000330322989	825915944	/nfs/dbraw/zinc/91/59/44/825915944.db2.gz	HGNABSVNPCBPJU-HOTGVXAUSA-N	1	0	361.490	1.999	20	30		FDEDRO
N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@@H]3NC(=O)OC[C@H]3C1)CCC2	ZINC000281292385	825930070	/nfs/dbraw/zinc/93/00/70/825930070.db2.gz	JIMWPLWSHUXUAR-RISCZKNCSA-N	1	0	374.466	1.867	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C(C)(C)C4CC4)C[C@@H]3C2)C1=O	ZINC001088075000	825990793	/nfs/dbraw/zinc/99/07/93/825990793.db2.gz	OLRZLSWGHHUABO-RYRKJORJSA-N	1	0	359.514	1.990	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@@H]1CC	ZINC000985015716	826127835	/nfs/dbraw/zinc/12/78/35/826127835.db2.gz	GTLGREPMWUSFRH-JZXOWHBKSA-N	1	0	358.486	1.878	20	30		FDEDRO
N#Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)C4(C(N)=O)CC4)C[C@@H]3C2)ccc1F	ZINC001088088415	826308748	/nfs/dbraw/zinc/30/87/48/826308748.db2.gz	SLUWRKUSYBBUEM-ZBFHGGJFSA-N	1	0	370.428	1.243	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3C[N@H+]([C@H]4CCN(CC)C4=O)CC[C@@H]3C2)c1	ZINC001088100138	826397464	/nfs/dbraw/zinc/39/74/64/826397464.db2.gz	VUAHNVACRZHHJD-NEWSRXKRSA-N	1	0	366.465	1.078	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCC[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC001059490079	826419792	/nfs/dbraw/zinc/41/97/92/826419792.db2.gz	WPUAZJLRFMTRDM-IIAWOOMASA-N	1	0	357.458	1.195	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3c(C)c[nH]c3CC(N)=O)C[C@@H]2C1	ZINC001088115530	826462541	/nfs/dbraw/zinc/46/25/41/826462541.db2.gz	XOTSOFCGDAKOFY-CVEARBPZSA-N	1	0	358.486	1.711	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4cnc[nH]4)C[C@@H]3C2)c(F)c1	ZINC001088121177	826486182	/nfs/dbraw/zinc/48/61/82/826486182.db2.gz	SAVXBMIHCYNKSM-WBVHZDCISA-N	1	0	367.428	1.943	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](CC4CCOCC4)CC[C@@H]3C2)nn1	ZINC001088133498	826574295	/nfs/dbraw/zinc/57/42/95/826574295.db2.gz	LNOCPRXZMFMKQQ-SJORKVTESA-N	1	0	359.474	1.285	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4conc4C)CC[C@@H]3C2)nn1	ZINC001088135227	826587160	/nfs/dbraw/zinc/58/71/60/826587160.db2.gz	BQHWQXGBNDEPSJ-CVEARBPZSA-N	1	0	370.457	1.745	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCCONC(=O)OC(C)(C)C)CC1	ZINC000896919957	826590491	/nfs/dbraw/zinc/59/04/91/826590491.db2.gz	BAGRULKAOOCFNJ-UHFFFAOYSA-N	1	0	354.451	1.230	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4ccnc4)nn3)C[C@@H]2C1	ZINC001088138874	826635342	/nfs/dbraw/zinc/63/53/42/826635342.db2.gz	IBZJNNUQXHTFOF-CVEARBPZSA-N	1	0	352.442	1.632	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4ncc[nH]4)C[C@@H]3C2)c(F)c1	ZINC001088151991	826804666	/nfs/dbraw/zinc/80/46/66/826804666.db2.gz	GSBZTANYPYJDQV-WBVHZDCISA-N	1	0	367.428	1.943	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)C[C@@H]2C1	ZINC001088155048	826883258	/nfs/dbraw/zinc/88/32/58/826883258.db2.gz	SSZKMGJSAVAUFQ-BBWFWOEESA-N	1	0	359.474	1.285	20	30		FDEDRO
[NH2+]=C(NCC[C@@H]1COc2ccccc2O1)N1CCN(c2ncccn2)CC1	ZINC000262441098	826914153	/nfs/dbraw/zinc/91/41/53/826914153.db2.gz	HNQIOIAWIOJKHD-OAHLLOKOSA-N	1	0	368.441	1.143	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2CC)cc1	ZINC000985230785	826968368	/nfs/dbraw/zinc/96/83/68/826968368.db2.gz	XBMREXFFKBIDBC-OTWHNJEPSA-N	1	0	353.466	1.871	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cc(Br)cnc2N(C)C)CC1	ZINC000928655464	827066107	/nfs/dbraw/zinc/06/61/07/827066107.db2.gz	RNCTXJTZXCJYJJ-UHFFFAOYSA-N	1	0	365.275	1.738	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(NC(=O)NC)c3)C[C@@H]2C1	ZINC001088169801	827113043	/nfs/dbraw/zinc/11/30/43/827113043.db2.gz	OXAPJLZWYQAMGT-SJORKVTESA-N	1	0	354.454	1.855	20	30		FDEDRO
CC1(Nc2ccccc2COC(=O)ON2C(=O)CCC2=O)CC[NH2+]CC1	ZINC001168185107	833219536	/nfs/dbraw/zinc/21/95/36/833219536.db2.gz	CYWJKUOANUQACJ-UHFFFAOYSA-N	1	0	361.398	1.958	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)C1	ZINC001088238292	827645750	/nfs/dbraw/zinc/64/57/50/827645750.db2.gz	QLVLHCBAIWNQFY-SQNIBIBYSA-N	1	0	363.502	1.404	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1=O	ZINC001168068208	827797917	/nfs/dbraw/zinc/79/79/17/827797917.db2.gz	HIXALZQUFHRCSG-IPMKNSEASA-N	1	0	355.482	1.981	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1CC	ZINC000985516753	828077076	/nfs/dbraw/zinc/07/70/76/828077076.db2.gz	WVWZWEUOZHRTRK-XDNAFOTISA-N	1	0	363.502	1.558	20	30		FDEDRO
C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)C[C@H](C)N1CC#N	ZINC000925167814	828296617	/nfs/dbraw/zinc/29/66/17/828296617.db2.gz	DHUCIPBUDFHJNW-QXSJWSMHSA-N	1	0	351.520	1.194	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)C[C@H]2CCNC(=O)CC2)CC1	ZINC000985661734	828874819	/nfs/dbraw/zinc/87/48/19/828874819.db2.gz	PJCYCDPYNRJGCH-NXHRZFHOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCOC2CCOCC2)C[C@H]1C(F)(F)F	ZINC001112192255	828901401	/nfs/dbraw/zinc/90/14/01/828901401.db2.gz	QQNWKNCCYNHHLO-HUUCEWRRSA-N	1	0	362.392	1.574	20	30		FDEDRO
COC(=O)C[C@@]1([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCOC1	ZINC000447882107	828924720	/nfs/dbraw/zinc/92/47/20/828924720.db2.gz	NPHKHKJQGIWEAB-LPHOPBHVSA-N	1	0	357.410	1.365	20	30		FDEDRO
N#Cc1cccnc1OC1CCC(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1	ZINC000527367960	829039517	/nfs/dbraw/zinc/03/95/17/829039517.db2.gz	BELWWYBEYVIFOP-DAWZGUTISA-N	1	0	369.469	1.149	20	30		FDEDRO
CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N(CCC#N)C(C)C)CC1	ZINC000527354240	829041561	/nfs/dbraw/zinc/04/15/61/829041561.db2.gz	ZAXOIILKNZRMRE-UHFFFAOYSA-N	1	0	360.462	1.629	20	30		FDEDRO
C[C@@H]1C[C@]1(C#N)C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000448838385	829262418	/nfs/dbraw/zinc/26/24/18/829262418.db2.gz	YAURDKYYFRFUCA-DBXWQHBBSA-N	1	0	367.497	1.992	20	30		FDEDRO
Cn1c(C#N)ccc1C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1	ZINC000448855219	829263356	/nfs/dbraw/zinc/26/33/56/829263356.db2.gz	XPVDZEVYVDJUQF-UHFFFAOYSA-N	1	0	365.437	1.927	20	30		FDEDRO
C=CCOc1ccc(CC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1	ZINC000448876330	829281862	/nfs/dbraw/zinc/28/18/62/829281862.db2.gz	WMUMJSQUMJIGJQ-QGZVFWFLSA-N	1	0	359.470	1.498	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)CN1CCC[N@H+](C[C@@H]2CCCO2)CC1	ZINC000528349508	829362181	/nfs/dbraw/zinc/36/21/81/829362181.db2.gz	IPJFUMHSCCVRHZ-MOPGFXCFSA-N	1	0	359.470	1.485	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CCN1CC[NH+](C2CCCC2)CC1	ZINC000528351413	829363187	/nfs/dbraw/zinc/36/31/87/829363187.db2.gz	WFRDBKFZNYNXOJ-UHFFFAOYSA-N	1	0	351.450	1.846	20	30		FDEDRO
CCC[N@H+](C)C[C@H]1CCN(CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000528399090	829382723	/nfs/dbraw/zinc/38/27/23/829382723.db2.gz	JGAPCXABTLIIAT-QGZVFWFLSA-N	1	0	353.466	1.950	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1	ZINC000528521813	829436017	/nfs/dbraw/zinc/43/60/17/829436017.db2.gz	FVIIRBJNRDCOQL-NQIIRXRSSA-N	1	0	365.433	1.427	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]Cc1nnc(-c2ccco2)o1	ZINC001168110570	829554870	/nfs/dbraw/zinc/55/48/70/829554870.db2.gz	ZTUKJWZDFUHZLE-BBRMVZONSA-N	1	0	360.414	1.907	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NCC1CCCCC1	ZINC001168110489	829555123	/nfs/dbraw/zinc/55/51/23/829555123.db2.gz	WTCFFYSCBSMOLI-HKUYNNGSSA-N	1	0	365.518	1.760	20	30		FDEDRO
Fc1cnc(N2CCN(C(NCCc3ccco3)=[NH+]C3CC3)CC2)nc1	ZINC000262658636	829862939	/nfs/dbraw/zinc/86/29/39/829862939.db2.gz	LBBDYYINXHBFOJ-UHFFFAOYSA-N	1	0	358.421	1.681	20	30		FDEDRO
CC(=O)N(C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001111602759	830320315	/nfs/dbraw/zinc/32/03/15/830320315.db2.gz	POXKXBGGPGAWRR-ICSRJNTNSA-N	1	0	354.454	1.507	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1=O	ZINC000373959454	830335138	/nfs/dbraw/zinc/33/51/38/830335138.db2.gz	RTROJPYURBJMIQ-SFHVURJKSA-N	1	0	371.485	1.726	20	30		FDEDRO
CC(C)Cc1ncc(C(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@@H]2O)[nH]1	ZINC001083460139	837439858	/nfs/dbraw/zinc/43/98/58/837439858.db2.gz	RTCSKHLPHJNNNX-MSOLQXFVSA-N	1	0	367.453	1.455	20	30		FDEDRO
CN(C)c1cc[nH+]cc1C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1	ZINC000986080104	830560357	/nfs/dbraw/zinc/56/03/57/830560357.db2.gz	OTFPPDGCTIPYPS-SJORKVTESA-N	1	0	366.465	1.482	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@H]2CCN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C[C@H]2C1	ZINC000986080156	830561101	/nfs/dbraw/zinc/56/11/01/830561101.db2.gz	PMGCOYNINQXUKJ-LQWHRVPQSA-N	1	0	355.482	1.193	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)ccc1C#N	ZINC000453611857	830967708	/nfs/dbraw/zinc/96/77/08/830967708.db2.gz	SBXFUABJYMHUAU-AWEZNQCLSA-N	1	0	357.458	1.971	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)ccc1C#N	ZINC000453677159	831013270	/nfs/dbraw/zinc/01/32/70/831013270.db2.gz	UVAFNQWJWPROLA-INIZCTEOSA-N	1	0	357.458	1.827	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1	ZINC000453760254	831074161	/nfs/dbraw/zinc/07/41/61/831074161.db2.gz	JVUTYEADVCIOSK-RVKKMQEKSA-N	1	0	354.454	1.994	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1	ZINC000453760252	831074389	/nfs/dbraw/zinc/07/43/89/831074389.db2.gz	JVUTYEADVCIOSK-RLFYNMQTSA-N	1	0	354.454	1.994	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)ccc1C#N	ZINC000453805411	831107790	/nfs/dbraw/zinc/10/77/90/831107790.db2.gz	KYRXJWBBOZUENC-INIZCTEOSA-N	1	0	357.458	1.827	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)C(C)(C)F)CC[C@@H]3C2)CC1	ZINC000986246792	831359217	/nfs/dbraw/zinc/35/92/17/831359217.db2.gz	VATSAGLQWFOUHT-SJORKVTESA-N	1	0	363.477	1.387	20	30		FDEDRO
C[NH+]=C(NCCc1c(C)noc1C)N1CCN(Cc2cc(C)on2)CC1	ZINC000262772185	831362906	/nfs/dbraw/zinc/36/29/06/831362906.db2.gz	JCQMPYLIOFEYLY-UHFFFAOYSA-N	1	0	360.462	1.524	20	30		FDEDRO
C[NH+](C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1)C1CC1	ZINC000986261449	831396666	/nfs/dbraw/zinc/39/66/66/831396666.db2.gz	MTBDBXBJTBGITM-HFTRVMKXSA-N	1	0	369.469	1.147	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1	ZINC001059718187	831676600	/nfs/dbraw/zinc/67/66/00/831676600.db2.gz	OPHZPDDCAPJCGN-AOIWGVFYSA-N	1	0	365.518	1.664	20	30		FDEDRO
COc1ccc(CN2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)[C@H]2C)cc1C#N	ZINC001088494076	831773147	/nfs/dbraw/zinc/77/31/47/831773147.db2.gz	KIALJSGDGNYTSU-FHLIZLRMSA-N	1	0	356.470	1.740	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@@H]2C1	ZINC000986573685	831963273	/nfs/dbraw/zinc/96/32/73/831963273.db2.gz	QGIMMGNTMURQCE-LZWOXQAQSA-N	1	0	358.442	1.421	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4C[NH+]5CCC4CC5)C[C@H]3C2)C1	ZINC000986634109	832124085	/nfs/dbraw/zinc/12/40/85/832124085.db2.gz	RZHRQHPLESQVTG-QYZOEREBSA-N	1	0	371.525	1.991	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@H]3C2)C1	ZINC000986686337	832197529	/nfs/dbraw/zinc/19/75/29/832197529.db2.gz	RAMUPWFZMBOPAM-UXLLHSPISA-N	1	0	369.469	1.149	20	30		FDEDRO
[NH2+]=C(NCc1cccc(C(F)(F)F)n1)N1CCN(c2ncccn2)CC1	ZINC000263080010	832319793	/nfs/dbraw/zinc/31/97/93/832319793.db2.gz	HOQMVEKHEIGREA-UHFFFAOYSA-N	1	0	365.363	1.527	20	30		FDEDRO
C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1	ZINC001105439042	832345769	/nfs/dbraw/zinc/34/57/69/832345769.db2.gz	XANDOJQYOLNEDW-LXGFNABISA-N	1	0	355.482	1.703	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C[C@@H]2COC(=O)C2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088522667	832403762	/nfs/dbraw/zinc/40/37/62/832403762.db2.gz	AIDQBWAKNYLMNY-HFTRVMKXSA-N	1	0	371.437	1.621	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCCOC)C1	ZINC001112217665	832416093	/nfs/dbraw/zinc/41/60/93/832416093.db2.gz	RINPFQGZOIXSSE-MGPQQGTHSA-N	1	0	352.397	1.983	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCCCN(C(=O)C[NH+]2CCCC2)C1	ZINC000987033499	832453144	/nfs/dbraw/zinc/45/31/44/832453144.db2.gz	CFWKUEMKCGXPOI-KSZLIROESA-N	1	0	363.502	1.561	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C[C@@H](O)Cc1ccccc1	ZINC001088533577	832495570	/nfs/dbraw/zinc/49/55/70/832495570.db2.gz	YMPVDPRZESBLCK-CCKFTAQKSA-N	1	0	352.438	1.683	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1	ZINC000987620346	833497705	/nfs/dbraw/zinc/49/77/05/833497705.db2.gz	ITBFGYJWUAAOJA-HIFRSBDPSA-N	1	0	357.458	1.337	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3CC)C2)CC1	ZINC000988371425	834696600	/nfs/dbraw/zinc/69/66/00/834696600.db2.gz	KNDMBQJDFCQLQO-YQVWRLOYSA-N	1	0	359.514	1.685	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cnc(N(C)C)cn2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088566734	834786717	/nfs/dbraw/zinc/78/67/17/834786717.db2.gz	BMZRVMCVIDVJLL-PBHICJAKSA-N	1	0	364.453	1.807	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088574167	834914713	/nfs/dbraw/zinc/91/47/13/834914713.db2.gz	GPMQBHMMLLROKE-KJWYOANISA-N	1	0	354.454	1.552	20	30		FDEDRO
COCCNC(=O)[C@H]1CC[C@H](C)N(Cc2c(C#N)cccc2[N+](=O)[O-])C1	ZINC000459318553	834969860	/nfs/dbraw/zinc/96/98/60/834969860.db2.gz	COAVXHXSUXPGPD-ZFWWWQNUSA-N	1	0	360.414	1.830	20	30		FDEDRO
C=CC[C@@H](CO)NC(=O)c1nnn(-c2cccc3c2CC[N@@H+](C)C3)c1C	ZINC000359960706	835046292	/nfs/dbraw/zinc/04/62/92/835046292.db2.gz	PPDYFYJGUMBTMR-HNNXBMFYSA-N	1	0	355.442	1.230	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@@H]1C	ZINC000988491924	835515063	/nfs/dbraw/zinc/51/50/63/835515063.db2.gz	AVQSMCSILDLSMH-COXVUDFISA-N	1	0	357.458	1.480	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cccn3nnnc23)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088591413	835596200	/nfs/dbraw/zinc/59/62/00/835596200.db2.gz	CSENELPKJCFPCG-DYVFJYSZSA-N	1	0	361.409	1.389	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)C3=COCCC3)[C@@H]2C)CC1	ZINC000988505707	835644812	/nfs/dbraw/zinc/64/48/12/835644812.db2.gz	BVCBZZJHEDAAMD-QAPCUYQASA-N	1	0	359.470	1.132	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3cccn3CC)[C@@H]2C)CC1	ZINC000988506030	835657385	/nfs/dbraw/zinc/65/73/85/835657385.db2.gz	IZJQTOCODUIEQX-AEFFLSMTSA-N	1	0	370.497	1.572	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCN1C(=O)C#CC1CC1	ZINC000988539181	835846934	/nfs/dbraw/zinc/84/69/34/835846934.db2.gz	DMLSMLWDBRQNKO-MNEFBYGVSA-N	1	0	357.498	1.912	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C#C)nc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105668979	844115788	/nfs/dbraw/zinc/11/57/88/844115788.db2.gz	NSMHOLISVMSBHR-XWSHUIEDSA-N	1	0	365.477	1.666	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+]([C@H](CCOC)c2ccccc2)C[C@H]1OC	ZINC001212031909	836344754	/nfs/dbraw/zinc/34/47/54/836344754.db2.gz	ASDYAHQGLPWWRC-GUDVDZBRSA-N	1	0	362.470	1.782	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000938043589	837209684	/nfs/dbraw/zinc/20/96/84/837209684.db2.gz	QLFDVTINEDQHNP-YESZJQIVSA-N	1	0	358.486	1.735	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3[nH]cnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105669635	844259867	/nfs/dbraw/zinc/25/98/67/844259867.db2.gz	UCDMMNKTARQIDO-IZBJGVDFSA-N	1	0	358.486	1.250	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1	ZINC000989034436	838149745	/nfs/dbraw/zinc/14/97/45/838149745.db2.gz	DEXKWVPZYUKRPI-MHORFTMASA-N	1	0	365.518	1.661	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC000989019559	838176125	/nfs/dbraw/zinc/17/61/25/838176125.db2.gz	NMLOKOUPYPYPGY-SKDZVZGDSA-N	1	0	369.469	1.480	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H](O)C1	ZINC001083462620	838302218	/nfs/dbraw/zinc/30/22/18/838302218.db2.gz	RGSGSFHMGNVYST-OIISXLGYSA-N	1	0	355.910	1.555	20	30		FDEDRO
CN(CCOCc1ccc(C#N)cc1)C(=O)Nc1ccnn1CC[NH+](C)C	ZINC000455646791	838415501	/nfs/dbraw/zinc/41/55/01/838415501.db2.gz	KURCEEIMNWRTFD-UHFFFAOYSA-N	1	0	370.457	1.997	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C)nc1	ZINC000989166546	838557704	/nfs/dbraw/zinc/55/77/04/838557704.db2.gz	IWTPLWNJSYMYFI-AEFFLSMTSA-N	1	0	368.481	1.658	20	30		FDEDRO
N#Cc1cccc(NC(=O)C[NH2+]C2(C(N)=O)C3CC4CC(C3)CC2C4)c1	ZINC000459785158	838939102	/nfs/dbraw/zinc/93/91/02/838939102.db2.gz	ZBGUNOIHYIDEKU-UHFFFAOYSA-N	1	0	352.438	1.767	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1	ZINC000459943812	839135803	/nfs/dbraw/zinc/13/58/03/839135803.db2.gz	VUZQWCKPKWMZOL-IBGZPJMESA-N	1	0	368.481	1.707	20	30		FDEDRO
C#CCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)CCO2	ZINC001105480962	839758284	/nfs/dbraw/zinc/75/82/84/839758284.db2.gz	RDYJSDHKAZCLJT-JFBVMJNESA-N	1	0	361.486	1.041	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C)C1	ZINC000989373054	839776606	/nfs/dbraw/zinc/77/66/06/839776606.db2.gz	XICDPALKHYFVMX-VYDXJSESSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1C1(C[NH2+]CC(=O)NC)CCC1	ZINC001105564271	839963676	/nfs/dbraw/zinc/96/36/76/839963676.db2.gz	YQFQTHQCTIZMAA-IKGGRYGDSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCc1cc(C[N@@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)cc(OC)c1O	ZINC000897609751	839970655	/nfs/dbraw/zinc/97/06/55/839970655.db2.gz	KIZHSNSNTFEOSN-DOMZBBRYSA-N	1	0	354.472	1.486	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)F)[C@@H]2C(C)C)C[C@H]1O	ZINC001105585691	839999922	/nfs/dbraw/zinc/99/99/22/839999922.db2.gz	UZZATBACMWTKJW-NPNMTCQASA-N	1	0	369.481	1.003	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3=COCCO3)[C@H]2C(C)C)C[C@H]1O	ZINC001105590793	840128821	/nfs/dbraw/zinc/12/88/21/840128821.db2.gz	NFCARVZBYAAQLY-RRIFGTCXSA-N	1	0	350.459	1.417	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc(C)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105591583	840143176	/nfs/dbraw/zinc/14/31/76/840143176.db2.gz	RPYGRYVIKIXDEQ-DLVXIWMQSA-N	1	0	356.470	1.388	20	30		FDEDRO
C[C@H]1C[NH+](CCC2CCN(C(=O)c3cnn(C)c3C#N)CC2)C[C@H](C)O1	ZINC000476243927	840213246	/nfs/dbraw/zinc/21/32/46/840213246.db2.gz	AYYDATRGBFCCKM-GJZGRUSLSA-N	1	0	359.474	1.643	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](CC)[C@H]2CCCOC2)CC1	ZINC000897674810	840217857	/nfs/dbraw/zinc/21/78/57/840217857.db2.gz	IZHJEQHLAKJBBG-DOTOQJQBSA-N	1	0	351.491	1.465	20	30		FDEDRO
CC1CC[NH+](C[C@H](O)CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1	ZINC000476327297	840266463	/nfs/dbraw/zinc/26/64/63/840266463.db2.gz	VOHHUDJWMFSLDI-CQSZACIVSA-N	1	0	370.375	1.795	20	30		FDEDRO
C#C[C@H](NC(=O)C1C[NH+]([C@H]2CCOC2)C1)c1ccc(Br)cc1	ZINC000897873663	840526314	/nfs/dbraw/zinc/52/63/14/840526314.db2.gz	UECSAXKAEMWQML-HOTGVXAUSA-N	1	0	363.255	1.960	20	30		FDEDRO
N#C[C@H]1CN(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CCN1C1CC1	ZINC000842015139	840656566	/nfs/dbraw/zinc/65/65/66/840656566.db2.gz	ZAIZRZGRYAOSIN-MPHDIFKYSA-N	1	0	357.502	1.522	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)c1	ZINC000898050861	840691118	/nfs/dbraw/zinc/69/11/18/840691118.db2.gz	IMRSBQLDVDECAQ-INIZCTEOSA-N	1	0	362.433	1.416	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCSC)[C@H]2C(C)C)C[C@H]1O	ZINC001105598583	840776397	/nfs/dbraw/zinc/77/63/97/840776397.db2.gz	TXHWTYYEGWFFKI-ZAWLATJESA-N	1	0	368.543	1.355	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCOC(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105600995	841028285	/nfs/dbraw/zinc/02/82/85/841028285.db2.gz	QKHJUQFDANJTGB-IZBJGVDFSA-N	1	0	350.503	1.791	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cc(C)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105606397	841205728	/nfs/dbraw/zinc/20/57/28/841205728.db2.gz	CLCKKPODEIGRIQ-HNBVOPMISA-N	1	0	358.486	1.181	20	30		FDEDRO
C=CCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCn3cncn3)C2)[C@@H]1C(C)C	ZINC001105606823	841215424	/nfs/dbraw/zinc/21/54/24/841215424.db2.gz	HELSQMGYHAZPOX-FPAYPSAMSA-N	1	0	361.490	1.210	20	30		FDEDRO
C=CCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC(C)C)C2)[C@H]1C(C)C	ZINC001105607676	841232787	/nfs/dbraw/zinc/23/27/87/841232787.db2.gz	VOYLOSULVLWSBL-XNFNUYLZSA-N	1	0	365.518	1.443	20	30		FDEDRO
CC[NH+]=C(NCC1(O)CCCCC1)N[C@@H]1CCCN(c2cnn(C)c2)C1	ZINC000085154634	841398722	/nfs/dbraw/zinc/39/87/22/841398722.db2.gz	FALRDQFVIQYTDO-MRXNPFEDSA-N	1	0	362.522	1.639	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C)c1	ZINC000989804434	841475561	/nfs/dbraw/zinc/47/55/61/841475561.db2.gz	XEEYGYQEVXZJSW-JLSDUUJJSA-N	1	0	354.454	1.266	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)COCCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105609943	841498321	/nfs/dbraw/zinc/49/83/21/841498321.db2.gz	DRZNJYJZJDDRFJ-PSBWJHGTSA-N	1	0	354.491	1.192	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1	ZINC000643494638	841620183	/nfs/dbraw/zinc/62/01/83/841620183.db2.gz	SBSAEFIRQRZZPF-FUHWJXTLSA-N	1	0	357.454	1.420	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@H]1C	ZINC000989995814	841758879	/nfs/dbraw/zinc/75/88/79/841758879.db2.gz	AMDWSKUPFRSXED-HLIPFELVSA-N	1	0	367.493	1.800	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnccc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105611559	841897611	/nfs/dbraw/zinc/89/76/11/841897611.db2.gz	SPZPJKXJYNQNGS-ANTGDGSKSA-N	1	0	355.482	1.993	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccncc3F)[C@H]2C(C)C)C[C@H]1O	ZINC001105611547	841897727	/nfs/dbraw/zinc/89/77/27/841897727.db2.gz	SLKYEVWUYIBVEV-FTEYMNFISA-N	1	0	359.445	1.824	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncccc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105613730	842224873	/nfs/dbraw/zinc/22/48/73/842224873.db2.gz	BONPJKLMQNDTGC-PLOVASNDSA-N	1	0	355.482	1.993	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CNC(=O)CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105614943	842228760	/nfs/dbraw/zinc/22/87/60/842228760.db2.gz	LTYGCLZZKOALQK-RGCFKVTRSA-N	1	0	351.491	1.055	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncccc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105614834	842228875	/nfs/dbraw/zinc/22/88/75/842228875.db2.gz	KBXJZOJTZDUMKW-REHHDOPLSA-N	1	0	355.482	1.993	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cc(C)n[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105615097	842229904	/nfs/dbraw/zinc/22/99/04/842229904.db2.gz	OZMXPTUICLFUPN-HNBVOPMISA-N	1	0	358.486	1.250	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C=C3CCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105615456	842231368	/nfs/dbraw/zinc/23/13/68/842231368.db2.gz	VQDRMEPIJBHTRL-VURPSTOHSA-N	1	0	360.498	1.713	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncccc3O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619736	842239685	/nfs/dbraw/zinc/23/96/85/842239685.db2.gz	PZFOYSAVLUKEQT-QSFMABPGSA-N	1	0	357.454	1.390	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(F)=C(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105620015	842241257	/nfs/dbraw/zinc/24/12/57/842241257.db2.gz	VDTODODDMJVMDK-QQTQMKHKSA-N	1	0	366.477	1.866	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCC(=O)NC)[C@H]2C(C)C)C[C@H]1O	ZINC001105620199	842242188	/nfs/dbraw/zinc/24/21/88/842242188.db2.gz	XSKWLYRXNMSYOX-YAJHFMINSA-N	1	0	365.518	1.445	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc[nH]c(=O)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105620260	842242986	/nfs/dbraw/zinc/24/29/86/842242986.db2.gz	YWYXXOVRRFXWAH-ZTRFORPCSA-N	1	0	359.470	1.943	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nccn3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105622390	842246862	/nfs/dbraw/zinc/24/68/62/842246862.db2.gz	ADBCKVQFUNYAPD-PDOICOKGSA-N	1	0	358.486	1.506	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnnn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105622722	842248193	/nfs/dbraw/zinc/24/81/93/842248193.db2.gz	GHWZMJNXAGCVII-KLICCBINSA-N	1	0	361.490	1.361	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCOCC)C2)[C@H]1C(C)C	ZINC001105622582	842248366	/nfs/dbraw/zinc/24/83/66/842248366.db2.gz	DFASILYVQZXJOL-HNBVOPMISA-N	1	0	350.503	1.793	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(=O)NC)[C@H]2C(C)C)C[C@H]1O	ZINC001105622834	842249097	/nfs/dbraw/zinc/24/90/97/842249097.db2.gz	JATFXGIZLRBZNN-LTDCPUDJSA-N	1	0	351.491	1.055	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3CN(C(C)=O)C3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105626538	842256851	/nfs/dbraw/zinc/25/68/51/842256851.db2.gz	COBJOBDZISLYCH-MLYOOKFZSA-N	1	0	363.502	1.007	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nn(C)cc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105626959	842258550	/nfs/dbraw/zinc/25/85/50/842258550.db2.gz	JUUVKTJWEDTRNL-QQTQMKHKSA-N	1	0	358.486	1.332	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn[nH]c(=O)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637550	842272215	/nfs/dbraw/zinc/27/22/15/842272215.db2.gz	RWRFGMNOVXHHSW-FXRXJOCMSA-N	1	0	360.458	1.338	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH]nc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637787	842273572	/nfs/dbraw/zinc/27/35/72/842273572.db2.gz	VRSCZZPSJPBUAW-MLYOOKFZSA-N	1	0	358.486	1.575	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3(COC)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105632958	842280510	/nfs/dbraw/zinc/28/05/10/842280510.db2.gz	PLBHKKSSACAZQF-ZTRFORPCSA-N	1	0	350.503	1.955	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn4c3CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001105633594	842282442	/nfs/dbraw/zinc/28/24/42/842282442.db2.gz	VRTUADOAEQTGGP-RDPOXOKHSA-N	1	0	370.497	1.432	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCC(=C)C)C2)[C@@H]1C(C)C	ZINC001105633746	842282452	/nfs/dbraw/zinc/28/24/52/842282452.db2.gz	WIRNBMMZSXJOJK-RMVXJAJNSA-N	1	0	362.514	1.959	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn4c(n3)CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001105634001	842283202	/nfs/dbraw/zinc/28/32/02/842283202.db2.gz	YRKYYYBQEANLIJ-WELBPKCISA-N	1	0	370.497	1.432	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3csnn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105642244	842305114	/nfs/dbraw/zinc/30/51/14/842305114.db2.gz	IGPQMQOKFIQMKY-JJAZEVLHSA-N	1	0	350.488	1.694	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(OC)nc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105642587	842316975	/nfs/dbraw/zinc/31/69/75/842316975.db2.gz	KNKHAMRJPCYGEW-ZJSJBZJDSA-N	1	0	371.481	1.693	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000760561057	842388734	/nfs/dbraw/zinc/38/87/34/842388734.db2.gz	LSVFAGVQJGCBGB-UXHICEINSA-N	1	0	355.482	1.491	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCn3ccnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105646841	842400069	/nfs/dbraw/zinc/40/00/69/842400069.db2.gz	MHOUVHZMUDHUQK-IZBJGVDFSA-N	1	0	360.502	1.815	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCC(F)F)[C@@H]2C(C)C)C[C@H]1O	ZINC001105646290	842405395	/nfs/dbraw/zinc/40/53/95/842405395.db2.gz	IMOQLIATQGDQAE-DTTOXWODSA-N	1	0	358.429	1.258	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NCC)C2)[C@@H]1C(C)C	ZINC001105648593	842410093	/nfs/dbraw/zinc/41/00/93/842410093.db2.gz	ZJOPMFIKYOFKNA-RNKNFESXSA-N	1	0	365.518	1.301	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc(C)n3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105652571	842447867	/nfs/dbraw/zinc/44/78/67/842447867.db2.gz	NLXVDSKFFPQZLH-LBKNJMOBSA-N	1	0	358.486	1.332	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3=CCOCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105655139	842482287	/nfs/dbraw/zinc/48/22/87/842482287.db2.gz	FSBFXDSFAGCWCE-QCFAMHMHSA-N	1	0	360.498	1.713	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3[nH]c(C)nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105655135	842482539	/nfs/dbraw/zinc/48/25/39/842482539.db2.gz	FRWTUJIYXTVQPY-QQTQMKHKSA-N	1	0	358.486	1.630	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH]c(=O)cc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105656557	842487186	/nfs/dbraw/zinc/48/71/86/842487186.db2.gz	QYVTVGHTDXVAQX-PLOVASNDSA-N	1	0	371.481	1.699	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnoc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105656184	842491429	/nfs/dbraw/zinc/49/14/29/842491429.db2.gz	NMJLFPJHJMZADU-CIWUYKSXSA-N	1	0	359.470	1.840	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CCOC)C3)[C@@H]2C(C)C)c1	ZINC001105657597	842495243	/nfs/dbraw/zinc/49/52/43/842495243.db2.gz	ZKPWOGALRDCOKJ-BNDYYXHWSA-N	1	0	371.481	1.289	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ncc[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105661055	842651473	/nfs/dbraw/zinc/65/14/73/842651473.db2.gz	DABGTFMZQUGPLL-YAJHFMINSA-N	1	0	360.502	1.885	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CC#CC)C3)[C@@H]2C(C)C)nn1	ZINC001105661183	842669388	/nfs/dbraw/zinc/66/93/88/842669388.db2.gz	FVCNVOKKDNRXMA-PHXBYCTMSA-N	1	0	371.485	1.067	20	30		FDEDRO
CO[C@H]1Cc2ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc2C1	ZINC000783916974	842721351	/nfs/dbraw/zinc/72/13/51/842721351.db2.gz	LRUNJESILFWXLA-SFHVURJKSA-N	1	0	372.469	1.433	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CN(C)C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC000990543442	842731462	/nfs/dbraw/zinc/73/14/62/842731462.db2.gz	AEGGRNYOBDFREW-HYVNUMGLSA-N	1	0	371.485	1.680	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)cc1	ZINC000646238069	842983079	/nfs/dbraw/zinc/98/30/79/842983079.db2.gz	NSGJNQRIEAMGJB-CQSZACIVSA-N	1	0	373.457	1.186	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(CC)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105665756	843018409	/nfs/dbraw/zinc/01/84/09/843018409.db2.gz	BVCBPLWRDYDLTO-LBKNJMOBSA-N	1	0	358.486	1.506	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(CC)nn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105665987	843052528	/nfs/dbraw/zinc/05/25/28/843052528.db2.gz	BXIUHKWFDMGBBB-NWGLXNPWSA-N	1	0	361.490	1.454	20	30		FDEDRO
C=C[C@@H](O)C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1	ZINC000667139389	843084145	/nfs/dbraw/zinc/08/41/45/843084145.db2.gz	IKHJSHQUIWEYJB-GOSISDBHSA-N	1	0	352.438	1.889	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)CN4CCCCC4=O)[C@@H]3C2)cc1	ZINC001075983723	843240840	/nfs/dbraw/zinc/24/08/40/843240840.db2.gz	SDOACTSZHUECDB-RBUKOAKNSA-N	1	0	366.465	1.603	20	30		FDEDRO
C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cccc(C#Cc3cccs3)c2)C1	ZINC000667225398	843330036	/nfs/dbraw/zinc/33/00/36/843330036.db2.gz	GIVBGHWEMZUZHU-INIZCTEOSA-N	1	0	353.447	1.907	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc(OC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105667004	843436818	/nfs/dbraw/zinc/43/68/18/843436818.db2.gz	MPROSTHTYWTZCE-PLOVASNDSA-N	1	0	371.481	1.693	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCN(C)C2=O)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088804296	844673609	/nfs/dbraw/zinc/67/36/09/844673609.db2.gz	PIFMTWBSGAXDJV-JLSDUUJJSA-N	1	0	370.453	1.146	20	30		FDEDRO
C=CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000669065021	861498481	/nfs/dbraw/zinc/49/84/81/861498481.db2.gz	KZDLUOWJNCOLDY-HNNXBMFYSA-N	1	0	364.494	1.149	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC(N2C[C@H]([NH2+][C@@H]3CCC[C@H](C#N)C3)CC2=O)C1	ZINC000898528059	844818606	/nfs/dbraw/zinc/81/86/06/844818606.db2.gz	FNYAKCKNGFWAQS-RRFJBIMHSA-N	1	0	362.474	1.879	20	30		FDEDRO
C=C[C@](C)(O)C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000667680154	845336432	/nfs/dbraw/zinc/33/64/32/845336432.db2.gz	ZBKWQAMPWVFYNC-PXNSSMCTSA-N	1	0	358.486	1.379	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccn(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105674672	845537597	/nfs/dbraw/zinc/53/75/97/845537597.db2.gz	IFWLUQACOGSYNE-XSYGEPLQSA-N	1	0	360.502	1.966	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000667737636	845696139	/nfs/dbraw/zinc/69/61/39/845696139.db2.gz	RKGOLVIJUWJWFB-ZIFCJYIRSA-N	1	0	364.534	1.474	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCCOCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105676309	845889749	/nfs/dbraw/zinc/88/97/49/845889749.db2.gz	VUFFVWIXYIINSN-JYBIWHBTSA-N	1	0	368.518	1.582	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1	ZINC000899180177	845914012	/nfs/dbraw/zinc/91/40/12/845914012.db2.gz	WSVXVTAEQOPNIK-QGZVFWFLSA-N	1	0	358.417	1.067	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](CCc2scnc2C)C[C@@H]1O	ZINC001083526175	846409800	/nfs/dbraw/zinc/40/98/00/846409800.db2.gz	FNMQEIMRHUIPRK-ZBFHGGJFSA-N	1	0	360.483	1.457	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4ccc(C)cc4)[C@@H]3C2)C1=O	ZINC001076006970	846444459	/nfs/dbraw/zinc/44/44/59/846444459.db2.gz	BCZOQKXPZGAZRX-SLFFLAALSA-N	1	0	367.493	1.857	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH+]1CC2(C1)CCN(C(=O)OC(C)(C)C)C2	ZINC000899912966	846869267	/nfs/dbraw/zinc/86/92/67/846869267.db2.gz	VCUPQYAWXMKMFG-HNNXBMFYSA-N	1	0	352.479	1.136	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2CC)C[C@@H]1O	ZINC001083535334	846902475	/nfs/dbraw/zinc/90/24/75/846902475.db2.gz	LRKIGFXOGOVMGG-AABGKKOBSA-N	1	0	355.482	1.008	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(OC)nc4)[C@@H]3C2)C1=O	ZINC001076013575	847012221	/nfs/dbraw/zinc/01/22/21/847012221.db2.gz	GGRRFIXXABXRKU-GVDBMIGSSA-N	1	0	370.453	1.023	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](CNc3ccnc(C#N)n3)C2)CC[N@@H+]1C	ZINC001060098468	847263568	/nfs/dbraw/zinc/26/35/68/847263568.db2.gz	ALUJNPQJNNEWFL-OWCLPIDISA-N	1	0	356.474	1.151	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](C[C@H](O)Cn4cccn4)C[C@H]32)cc1	ZINC001076119902	847316299	/nfs/dbraw/zinc/31/62/99/847316299.db2.gz	YHMONROKNXHQOZ-SLFFLAALSA-N	1	0	364.449	1.072	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCN(CC=C)C4=O)C[C@H]32)cc1	ZINC001076119887	847316933	/nfs/dbraw/zinc/31/69/33/847316933.db2.gz	XKPCWRLDWXWJLQ-SLFFLAALSA-N	1	0	363.461	1.601	20	30		FDEDRO
CN1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)C1=O	ZINC001076150893	847393046	/nfs/dbraw/zinc/39/30/46/847393046.db2.gz	AKNDFRMDUVZBKQ-RCCFBDPRSA-N	1	0	352.438	1.069	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CC[C@@H](C(N)=O)C4)[C@@H]3C2)c1	ZINC001076248070	847657716	/nfs/dbraw/zinc/65/77/16/847657716.db2.gz	VUNWJMBSLYTFLO-YDZRNGNQSA-N	1	0	366.465	1.493	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CC[C@H]3C[N@H+](CCn4cncn4)C[C@H]32)cc1	ZINC001076333662	847908565	/nfs/dbraw/zinc/90/85/65/847908565.db2.gz	HMCZIOULMVGMSC-PKOBYXMFSA-N	1	0	365.437	1.137	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CCC[NH+]1CCCCC1	ZINC001076621154	848573946	/nfs/dbraw/zinc/57/39/46/848573946.db2.gz	HRXVIKNRMMNFTR-KSZLIROESA-N	1	0	365.518	1.855	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)[C@H](CC)[NH+](C)C	ZINC001076706141	848811556	/nfs/dbraw/zinc/81/15/56/848811556.db2.gz	SGMUKQYJZSNWSM-QAETUUGQSA-N	1	0	353.507	1.709	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1	ZINC001076726272	848855178	/nfs/dbraw/zinc/85/51/78/848855178.db2.gz	BDRPRBZQOVKFME-BQFCYCMXSA-N	1	0	365.518	1.711	20	30		FDEDRO
CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1)c1ccccc1	ZINC001076907121	849301084	/nfs/dbraw/zinc/30/10/84/849301084.db2.gz	BKGNITYUSCDLEJ-KURKYZTESA-N	1	0	354.410	1.049	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CCC[NH+]1CCCC1	ZINC001076909191	849304369	/nfs/dbraw/zinc/30/43/69/849304369.db2.gz	HRHUKENYBVQACF-BBWFWOEESA-N	1	0	351.491	1.465	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC[C@H](C)NC(=O)[C@H]2OCC[C@H]2CC)CC1	ZINC001076917413	849315109	/nfs/dbraw/zinc/31/51/09/849315109.db2.gz	GJAFPKPJJOOXGG-JZXOWHBKSA-N	1	0	363.502	1.158	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(Cc3cc(C#N)ccc3F)C[C@H]2O)CC[N@@H+]1C	ZINC001077028015	849577312	/nfs/dbraw/zinc/57/73/12/849577312.db2.gz	VQXZJUJQYDFGSY-JCHJZTRSSA-N	1	0	374.460	1.089	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O	ZINC001077131483	849855702	/nfs/dbraw/zinc/85/57/02/849855702.db2.gz	CWGVNAPGPJODAX-XUVXKRRUSA-N	1	0	370.497	1.482	20	30		FDEDRO
Cn1ncc(-c2noc(C3CC4(C3)C[NH2+]C[C@H]4C#N)n2)c1Br	ZINC000904111941	850965185	/nfs/dbraw/zinc/96/51/85/850965185.db2.gz	NWTRFJAJRMUUJU-ZYTOWTHASA-N	1	0	363.219	1.839	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCCN2c2nccnc2C#N)CC[N@@H+]1C	ZINC001060184432	851376762	/nfs/dbraw/zinc/37/67/62/851376762.db2.gz	GEYGJCYXGONPTI-YQQAZPJKSA-N	1	0	356.474	1.554	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC(C(C)(C)C[NH3+])CC1	ZINC000904946908	851522545	/nfs/dbraw/zinc/52/25/45/851522545.db2.gz	JFPGYOWCPBAJFF-UHFFFAOYSA-N	1	0	356.470	1.740	20	30		FDEDRO
CCc1cccnc1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O	ZINC001083589138	851716468	/nfs/dbraw/zinc/71/64/68/851716468.db2.gz	RWAHDKFTEJHUDH-MSOLQXFVSA-N	1	0	350.422	1.491	20	30		FDEDRO
C[C@@](O)(C[NH2+]C[C@H](N1CCOCC1)C(F)(F)F)C(F)(F)C(F)(F)F	ZINC000905255754	851778906	/nfs/dbraw/zinc/77/89/06/851778906.db2.gz	JHJLMVAKNVARQV-DTWKUNHWSA-N	1	0	374.272	1.788	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@]1(C)CC1(Br)Br	ZINC000913523446	862288471	/nfs/dbraw/zinc/28/84/71/862288471.db2.gz	AJLJZTFPMFQYRL-JTQLQIEISA-N	1	0	352.070	1.564	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1	ZINC000913525078	862288945	/nfs/dbraw/zinc/28/89/45/862288945.db2.gz	JTPRTURIIWNTCK-AWEZNQCLSA-N	1	0	365.227	1.212	20	30		FDEDRO
COc1cc(NC(=O)[C@H]2C[C@@H]2C)c(C(=O)NCC#CC[NH+](C)C)cc1OC	ZINC000913516917	862299117	/nfs/dbraw/zinc/29/91/17/862299117.db2.gz	LRCOMVVJHQUMFP-KBPBESRZSA-N	1	0	373.453	1.593	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1	ZINC000913517922	862301397	/nfs/dbraw/zinc/30/13/97/862301397.db2.gz	VVFKNCUXPPCHDT-GOSISDBHSA-N	1	0	371.481	1.375	20	30		FDEDRO
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC#CC[NH+](C)C	ZINC000913518149	862302266	/nfs/dbraw/zinc/30/22/66/862302266.db2.gz	GDAYSHIOUNSRJP-LPHOPBHVSA-N	1	0	355.482	1.667	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br	ZINC000913519562	862304275	/nfs/dbraw/zinc/30/42/75/862304275.db2.gz	FOJGGGGQSDJVJR-UHFFFAOYSA-N	1	0	354.204	1.581	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(c2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)C1=O	ZINC000905489082	851990266	/nfs/dbraw/zinc/99/02/66/851990266.db2.gz	RDUMHZSJWIQZOM-ROUUACIJSA-N	1	0	370.453	1.598	20	30		FDEDRO
C=CC(=O)N1CCC(C(=O)NCC#CC[NH+](C)C)(c2ccccc2)CC1	ZINC000913522597	862308153	/nfs/dbraw/zinc/30/81/53/862308153.db2.gz	QMKAUGMIQXJFIC-UHFFFAOYSA-N	1	0	353.466	1.414	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)C(F)(F)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000913522661	862308638	/nfs/dbraw/zinc/30/86/38/862308638.db2.gz	SVXQHVOHUNUICM-UHFFFAOYSA-N	1	0	373.444	1.950	20	30		FDEDRO
CCN(C(=O)C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccccc1	ZINC000905517368	852009413	/nfs/dbraw/zinc/00/94/13/852009413.db2.gz	CJUYGPKUCWKFTO-GOSISDBHSA-N	1	0	353.422	1.941	20	30		FDEDRO
CC(C)O[C@]1(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CCOC1	ZINC000905559523	852036366	/nfs/dbraw/zinc/03/63/66/852036366.db2.gz	XREPFTNBTMNECG-KRWDZBQOSA-N	1	0	352.456	1.506	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCO[C@@](C)(C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1	ZINC000905586591	852076072	/nfs/dbraw/zinc/07/60/72/852076072.db2.gz	NKJHBBUFNCDKLE-YOEHRIQHSA-N	1	0	353.463	1.657	20	30		FDEDRO
Cn1cc([C@]2(C[NH2+]CCS(=O)(=O)c3cccc(C#N)c3)CCCO2)cn1	ZINC000905686146	852177228	/nfs/dbraw/zinc/17/72/28/852177228.db2.gz	JBSBKDMHQQZEDQ-GOSISDBHSA-N	1	0	374.466	1.361	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)NCCCC[NH+]2CCN(CC)CC2)C1	ZINC000668513675	852528120	/nfs/dbraw/zinc/52/81/20/852528120.db2.gz	VCAGWMGJAUSZIS-SFHVURJKSA-N	1	0	364.534	1.335	20	30		FDEDRO
CC(C)[C@H](C(=O)NC1(C#N)CC[NH+](C)CC1)N1Cc2ccccc2C1=O	ZINC000906599405	853068711	/nfs/dbraw/zinc/06/87/11/853068711.db2.gz	DIYHAJMLCBVDMH-QGZVFWFLSA-N	1	0	354.454	1.771	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1	ZINC000991479219	862425646	/nfs/dbraw/zinc/42/56/46/862425646.db2.gz	MVEOZVISDAFILQ-BZSNNMDCSA-N	1	0	363.502	1.558	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)C1	ZINC000906641874	853090071	/nfs/dbraw/zinc/09/00/71/853090071.db2.gz	ZWYGMJOZNRXSFJ-KRWDZBQOSA-N	1	0	367.409	1.667	20	30		FDEDRO
N#CCCSc1ccccc1NC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2	ZINC000906764048	853281461	/nfs/dbraw/zinc/28/14/61/853281461.db2.gz	BUEWCPVNPLVWRZ-GOSISDBHSA-N	1	0	358.467	1.985	20	30		FDEDRO
N#CCCSc1ccccc1NC(=O)C(=O)N[C@]12CCC[C@H]1C[NH2+]C2	ZINC000906778052	853305228	/nfs/dbraw/zinc/30/52/28/853305228.db2.gz	GREIOVCQBONPOU-UGSOOPFHSA-N	1	0	358.467	1.889	20	30		FDEDRO
C[N@H+](Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000906996637	853657148	/nfs/dbraw/zinc/65/71/48/853657148.db2.gz	UKUUELZXLBPVPH-KRWDZBQOSA-N	1	0	356.451	1.848	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1	ZINC000907663331	854480821	/nfs/dbraw/zinc/48/08/21/854480821.db2.gz	JMDMHOAZHIZWAD-MRXNPFEDSA-N	1	0	358.490	1.371	20	30		FDEDRO
CC(C)[NH+]1CCN(CCCC(=O)NCc2ccc(C(=O)NO)cc2)CC1	ZINC000907811751	854679292	/nfs/dbraw/zinc/67/92/92/854679292.db2.gz	DDVVTNNBUBYZOX-UHFFFAOYSA-N	1	0	362.474	1.228	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1C	ZINC000908169847	855108991	/nfs/dbraw/zinc/10/89/91/855108991.db2.gz	BCXICIXCYQPFHE-UHFFFAOYSA-N	1	0	373.906	1.551	20	30		FDEDRO
C[NH+](C)CCn1nccc1C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000908345916	855324168	/nfs/dbraw/zinc/32/41/68/855324168.db2.gz	HWMNOMQIJOWCFG-HNNXBMFYSA-N	1	0	354.414	1.005	20	30		FDEDRO
C=CCn1c(-c2cccnn2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C	ZINC000908716474	855721525	/nfs/dbraw/zinc/72/15/25/855721525.db2.gz	YFNPJGPNGCOUNG-OAHLLOKOSA-N	1	0	369.473	1.611	20	30		FDEDRO
C=CCn1c(-c2ccc(=O)n(C)c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C	ZINC000908739679	855736146	/nfs/dbraw/zinc/73/61/46/855736146.db2.gz	AJXVNGAMZGVUJT-HUUCEWRRSA-N	1	0	356.474	1.749	20	30		FDEDRO
COCCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@@H](C#N)C1	ZINC000909157846	856213900	/nfs/dbraw/zinc/21/39/00/856213900.db2.gz	ZMJRZXNKIBZRAD-XHSDSOJGSA-N	1	0	360.462	1.200	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000487754037	856724263	/nfs/dbraw/zinc/72/42/63/856724263.db2.gz	OADSCTPISVOCBD-CGTJXYLNSA-N	1	0	365.518	1.732	20	30		FDEDRO
C#CCCCc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CC1CC1	ZINC000910427730	857192893	/nfs/dbraw/zinc/19/28/93/857192893.db2.gz	LAZOYWLXEGXVHJ-UHFFFAOYSA-N	1	0	357.502	1.945	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCC[C@@H](n2ccnc2)C1	ZINC000910608334	857366600	/nfs/dbraw/zinc/36/66/00/857366600.db2.gz	BICGVSYEFWNFKG-CQSZACIVSA-N	1	0	357.439	1.638	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1	ZINC000910706458	857551427	/nfs/dbraw/zinc/55/14/27/857551427.db2.gz	FCVJJNIILFCKLW-GDBMZVCRSA-N	1	0	360.483	1.521	20	30		FDEDRO
CS[C@@H]1CCN(C(=O)C(=O)N(c2ccc(C#N)cn2)[C@H]2CCC[NH2+]C2)C1	ZINC000910858655	857787792	/nfs/dbraw/zinc/78/77/92/857787792.db2.gz	RCMWUKFINIXBOF-LSDHHAIUSA-N	1	0	373.482	1.002	20	30		FDEDRO
C#CCN(C(=O)C(=O)N(C)C[C@@H](C)c1ccccc1)C1CC[NH+](C)CC1	ZINC000910886943	857840037	/nfs/dbraw/zinc/84/00/37/857840037.db2.gz	XZNULKJGZRUAOK-QGZVFWFLSA-N	1	0	355.482	1.805	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccccn2)C[C@H]1C	ZINC001105759979	862959276	/nfs/dbraw/zinc/95/92/76/862959276.db2.gz	GRIMSBKZHYJFOP-IAGOWNOFSA-N	1	0	356.470	1.580	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCC(C(C)(C)C[NH3+])CC1)c1ccc(C#N)cc1	ZINC000911134434	858199549	/nfs/dbraw/zinc/19/95/49/858199549.db2.gz	OYPUNLCCCDNFJZ-CQSZACIVSA-N	1	0	356.470	1.959	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1C[C@@H]2COC[C@@]2(C)C1	ZINC000669334458	863003068	/nfs/dbraw/zinc/00/30/68/863003068.db2.gz	BINFAWXEVAZYEF-PDOICOKGSA-N	1	0	373.501	1.863	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)Cc1nc(C)no1	ZINC000669335593	863005875	/nfs/dbraw/zinc/00/58/75/863005875.db2.gz	OHSTYSFQUREETM-CABCVRRESA-N	1	0	373.461	1.718	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N1CC[NH2+]CCC12CCOCC2	ZINC000911352077	858503686	/nfs/dbraw/zinc/50/36/86/858503686.db2.gz	XRKVGUKOHVUNPF-UHFFFAOYSA-N	1	0	351.491	1.466	20	30		FDEDRO
C=C(Br)CN1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1	ZINC001083645026	858581020	/nfs/dbraw/zinc/58/10/20/858581020.db2.gz	HFUUUXUGQIXDKA-KGLIPLIRSA-N	1	0	365.231	1.018	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)c1	ZINC000911404456	858593092	/nfs/dbraw/zinc/59/30/92/858593092.db2.gz	ZFUDTDFSOHNIIW-YJBOKZPZSA-N	1	0	372.444	1.694	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1	ZINC000911493212	858685188	/nfs/dbraw/zinc/68/51/88/858685188.db2.gz	HNNHRIKERHALJY-AKAXFMLLSA-N	1	0	366.259	1.187	20	30		FDEDRO
C=CCN(C(=O)C(=O)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C	ZINC000911573631	858796343	/nfs/dbraw/zinc/79/63/43/858796343.db2.gz	KWQGSAYABJATAG-OXQOHEQNSA-N	1	0	357.454	1.782	20	30		FDEDRO
C[NH+]1CCC(CNC(=S)Nc2cnn(-c3ncccc3C#N)c2)CC1	ZINC000763357773	881389722	/nfs/dbraw/zinc/38/97/22/881389722.db2.gz	NTBUPYBRQUEUMZ-UHFFFAOYSA-N	1	0	355.471	1.767	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1C	ZINC001106864709	881398062	/nfs/dbraw/zinc/39/80/62/881398062.db2.gz	YGCFHQHPNIHGCR-HZSPNIEDSA-N	1	0	355.429	1.244	20	30		FDEDRO
C=CCCC[C@@H]([NH3+])C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C	ZINC000912077348	859332459	/nfs/dbraw/zinc/33/24/59/859332459.db2.gz	CCHVMOVADIIUEZ-CQSZACIVSA-N	1	0	368.503	1.625	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@@H]21	ZINC000912080959	859335673	/nfs/dbraw/zinc/33/56/73/859335673.db2.gz	DBJJGMWYPBOMMT-YUELXQCFSA-N	1	0	354.497	1.285	20	30		FDEDRO
CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1	ZINC000912254868	859550369	/nfs/dbraw/zinc/55/03/69/859550369.db2.gz	GUKWZIYNONSLPT-SFHVURJKSA-N	1	0	366.469	1.667	20	30		FDEDRO
C=CCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1	ZINC000912475958	859816222	/nfs/dbraw/zinc/81/62/22/859816222.db2.gz	VNMOGHWVFWQULA-QGZVFWFLSA-N	1	0	363.433	1.559	20	30		FDEDRO
CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1	ZINC000912595613	859928529	/nfs/dbraw/zinc/92/85/29/859928529.db2.gz	WKPKFEXIPUWKLG-INIZCTEOSA-N	1	0	359.470	1.925	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)c(CC)o2)C[C@H]1C	ZINC001106870053	881516665	/nfs/dbraw/zinc/51/66/65/881516665.db2.gz	YVZXTUXNHORHDK-OWCLPIDISA-N	1	0	359.470	1.586	20	30		FDEDRO
COCC[N@H+](C)CCNC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1	ZINC000916329907	881527453	/nfs/dbraw/zinc/52/74/53/881527453.db2.gz	BHZGXXOAPDLLBX-MRXNPFEDSA-N	1	0	360.462	1.117	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(CCOC)CCOC	ZINC000669033541	860867525	/nfs/dbraw/zinc/86/75/25/860867525.db2.gz	RZSWHDHEJMYHEU-CVEARBPZSA-N	1	0	365.478	1.099	20	30		FDEDRO
C=CCn1c(-c2cn(C)nn2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1	ZINC000669038444	860916286	/nfs/dbraw/zinc/91/62/86/860916286.db2.gz	MEIFKNGKZMXNKY-WMLDXEAASA-N	1	0	368.489	1.713	20	30		FDEDRO
C=CCn1c(-c2cn(C)nn2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1	ZINC000669040615	860951871	/nfs/dbraw/zinc/95/18/71/860951871.db2.gz	VVWOQVRDUIZUQV-OAHLLOKOSA-N	1	0	356.478	1.572	20	30		FDEDRO
C=CCn1c(-c2nnn(C)c2C)nnc1N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000669053250	861155379	/nfs/dbraw/zinc/15/53/79/861155379.db2.gz	BMTARWMUSVAJAM-OAHLLOKOSA-N	1	0	374.493	1.115	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001105775970	863097302	/nfs/dbraw/zinc/09/73/02/863097302.db2.gz	OCPWCLZZDIQUKY-NVXWUHKLSA-N	1	0	352.413	1.965	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccs2)C[C@H]1C	ZINC001105782259	863140171	/nfs/dbraw/zinc/14/01/71/863140171.db2.gz	NKDTXHDWTHRNNF-CHWSQXEVSA-N	1	0	364.471	1.058	20	30		FDEDRO
N#CC1(CC(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CC[N@@H+]2C3)CC1	ZINC000590320187	863143181	/nfs/dbraw/zinc/14/31/81/863143181.db2.gz	SFHISFRAJISQRW-IRXDYDNUSA-N	1	0	352.438	1.395	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001105806833	863281804	/nfs/dbraw/zinc/28/18/04/863281804.db2.gz	CEWLDODUDCYFDU-NVXWUHKLSA-N	1	0	354.429	1.909	20	30		FDEDRO
COc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CSCC#N)C2)ccn1	ZINC001111599670	863300358	/nfs/dbraw/zinc/30/03/58/863300358.db2.gz	AUHGYAAGNKYPLO-YJBOKZPZSA-N	1	0	360.483	1.818	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(Cl)c[nH]2)C[C@H]1C	ZINC001105819056	863372071	/nfs/dbraw/zinc/37/20/71/863372071.db2.gz	XWYHUCXGNRUZGL-JHJVBQTASA-N	1	0	352.866	1.657	20	30		FDEDRO
C#CCN1CCN(C(=O)CN(CC)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000760868870	863386757	/nfs/dbraw/zinc/38/67/57/863386757.db2.gz	TVZNMRJUBPKFRE-NRFANRHFSA-N	1	0	368.525	1.360	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001105827141	863392719	/nfs/dbraw/zinc/39/27/19/863392719.db2.gz	MBTGACDAOBWCOZ-IEBWSBKVSA-N	1	0	351.454	1.404	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCCC)C[C@H]1C	ZINC001105838372	863433437	/nfs/dbraw/zinc/43/34/37/863433437.db2.gz	YTEMKOOOSOMSMH-BZUAXINKSA-N	1	0	366.506	1.651	20	30		FDEDRO
CCc1nnc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)CSCC#N)C[C@H]2C)o1	ZINC001105847931	863492575	/nfs/dbraw/zinc/49/25/75/863492575.db2.gz	KXRMMKTWAXJZAU-JHJVBQTASA-N	1	0	351.476	1.634	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CCOCC(C)C)C[C@H]2C)C1=O	ZINC001105864589	863535890	/nfs/dbraw/zinc/53/58/90/863535890.db2.gz	YJYQKZBDSKWAKY-KZNAEPCWSA-N	1	0	365.518	1.520	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCOC)C[C@H]1C	ZINC001105868040	863566425	/nfs/dbraw/zinc/56/64/25/863566425.db2.gz	ZYWSHQKKENRZMY-KZNAEPCWSA-N	1	0	367.534	1.910	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C)n(C)n2)C[C@H]1C	ZINC001105883133	863639225	/nfs/dbraw/zinc/63/92/25/863639225.db2.gz	KLBVNVLUSVABAV-ZWNOBZJWSA-N	1	0	355.280	1.935	20	30		FDEDRO
Cc1cnn(CC(=O)N2C[C@@H](C[NH2+]CC#Cc3ccccc3)[C@H](C)C2)c1	ZINC001105885326	863655734	/nfs/dbraw/zinc/65/57/34/863655734.db2.gz	GUMFSCFIHSCVBJ-UYAOXDASSA-N	1	0	350.466	1.927	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nc(COC)no2)[C@H](C)C1	ZINC001105912750	863944258	/nfs/dbraw/zinc/94/42/58/863944258.db2.gz	MEHPPZACWQRZHK-QLFBSQMISA-N	1	0	366.462	1.381	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC2CC2)[C@H](C)C1	ZINC001105913062	863949689	/nfs/dbraw/zinc/94/96/89/863949689.db2.gz	TZJYBACRMHHCEX-SOLBZPMBSA-N	1	0	365.518	1.520	20	30		FDEDRO
CC[NH+]=C(NCc1cccnc1-n1ccnc1)N1CC[C@]2(CCOC2)C1	ZINC000158062621	863986771	/nfs/dbraw/zinc/98/67/71/863986771.db2.gz	BZSJADHMKCZDHQ-IBGZPJMESA-N	1	0	354.458	1.845	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NCC(C)C)[C@H](C)C1	ZINC001105923222	864030178	/nfs/dbraw/zinc/03/01/78/864030178.db2.gz	QZVQFXGTMZUAPG-BZUAXINKSA-N	1	0	366.506	1.507	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CC[N@H+](C)[C@H](C)C1	ZINC000761076245	864034877	/nfs/dbraw/zinc/03/48/77/864034877.db2.gz	MAIRZNJNZKUVIU-CQSZACIVSA-N	1	0	361.490	1.588	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)Cc2cnn(C)c2)[C@H](C)C1	ZINC001105929510	864069144	/nfs/dbraw/zinc/06/91/44/864069144.db2.gz	TXCBNYVVQMQNDZ-NVXWUHKLSA-N	1	0	361.490	1.029	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1	ZINC000761105289	864104153	/nfs/dbraw/zinc/10/41/53/864104153.db2.gz	OJWDJDOJPIQUEM-OAHLLOKOSA-N	1	0	374.416	1.753	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2nc(CCCC)no2)[C@H](C)C1	ZINC001105943023	864163111	/nfs/dbraw/zinc/16/31/11/864163111.db2.gz	USAUEUGJQQZGAG-HUUCEWRRSA-N	1	0	350.463	1.799	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2ccc3c(c2)OCCO3)[C@H](C)C1	ZINC001105942926	864163688	/nfs/dbraw/zinc/16/36/88/864163688.db2.gz	QHONAMAEFSHNOU-NVXWUHKLSA-N	1	0	360.454	1.845	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]CCS(=O)(=O)c2ccccc2)[C@H](C)C1	ZINC001105946493	864190542	/nfs/dbraw/zinc/19/05/42/864190542.db2.gz	VVRKPBOPKASYSZ-BZUAXINKSA-N	1	0	363.483	1.304	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C)n2)C[C@H]1C	ZINC001105946308	864190575	/nfs/dbraw/zinc/19/05/75/864190575.db2.gz	PUILVNFVCVHLRR-GDBMZVCRSA-N	1	0	359.474	1.216	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC2CCOCC2)C[C@H]1C	ZINC001105966067	864259854	/nfs/dbraw/zinc/25/98/54/864259854.db2.gz	IMRMFMPCGOAQHX-BFYDXBDKSA-N	1	0	351.491	1.178	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001105974250	864296645	/nfs/dbraw/zinc/29/66/45/864296645.db2.gz	SLZPZFFOJOFSQZ-MISYRCLQSA-N	1	0	355.482	1.053	20	30		FDEDRO
C=CCN1C(=O)N(C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C(=O)[C@@H]1Cc1ccccc1	ZINC000761199834	864325781	/nfs/dbraw/zinc/32/57/81/864325781.db2.gz	KQICRBWQJUFTGC-FHWLQOOXSA-N	1	0	369.465	1.911	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@@H](C)C(C)C)[C@H](C)C1	ZINC001105987727	864365201	/nfs/dbraw/zinc/36/52/01/864365201.db2.gz	OSEBCSJTWQZCMW-FGTMMUONSA-N	1	0	367.534	1.814	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C)C(=O)N1CCCCC1	ZINC001105988628	864376963	/nfs/dbraw/zinc/37/69/63/864376963.db2.gz	BGCGIUBGMFPADZ-HLLBOEOZSA-N	1	0	371.485	1.585	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C(F)=C(C)C)C[C@H]1C	ZINC001106003681	864546256	/nfs/dbraw/zinc/54/62/56/864546256.db2.gz	HGUSOKRUEITYDS-HUUCEWRRSA-N	1	0	352.454	1.696	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@@H+](CCOc2ccc(OC)cc2)C[C@H]1OC	ZINC001212184932	864556231	/nfs/dbraw/zinc/55/62/31/864556231.db2.gz	JFTPLXHOSXBRKZ-RTBURBONSA-N	1	0	360.454	1.693	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3c[nH]c(=O)cc3C)[C@H]2C)C1=O	ZINC001088848694	864587990	/nfs/dbraw/zinc/58/79/90/864587990.db2.gz	JXOJBWONEYKLSF-KBMXLJTQSA-N	1	0	358.442	1.075	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+]CCCNS(=O)(=O)CC)[C@H](C)C1	ZINC001106026056	864815728	/nfs/dbraw/zinc/81/57/28/864815728.db2.gz	SXVHUWDZBWYFKY-IAGOWNOFSA-N	1	0	371.547	1.194	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccc(F)cc2)[C@H](C)C1	ZINC001106029505	864882807	/nfs/dbraw/zinc/88/28/07/864882807.db2.gz	VJMRPDGYZSQRFQ-SJLPKXTDSA-N	1	0	369.440	1.001	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2cnc(Cl)s2)[C@H](C)C1	ZINC001106029543	864884338	/nfs/dbraw/zinc/88/43/38/864884338.db2.gz	XEDJBMIRARRANQ-VXGBXAGGSA-N	1	0	368.890	1.120	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2ncc(Cl)s2)[C@H](C)C1	ZINC001106034505	864912629	/nfs/dbraw/zinc/91/26/29/864912629.db2.gz	GDCGRBCLLJIZFM-VXGBXAGGSA-N	1	0	368.890	1.120	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2ncoc2C(C)C)[C@H](C)C1	ZINC001106034530	864912669	/nfs/dbraw/zinc/91/26/69/864912669.db2.gz	GREYXEBHFFHQLN-HUUCEWRRSA-N	1	0	360.458	1.122	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2ncc(C(C)C)o2)[C@H](C)C1	ZINC001106035629	864916473	/nfs/dbraw/zinc/91/64/73/864916473.db2.gz	WKJOIWBKDJZKGV-HUUCEWRRSA-N	1	0	360.458	1.122	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1CN(CC(=O)N(C(C)C)C(C)C)C[C@H]1OC	ZINC001212187381	864940481	/nfs/dbraw/zinc/94/04/81/864940481.db2.gz	QSDONZSHFRKJDG-IAGOWNOFSA-N	1	0	351.491	1.251	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCCCC2)[C@H](C)C1	ZINC001106059227	865069303	/nfs/dbraw/zinc/06/93/03/865069303.db2.gz	PSNQGZGAUNSLOR-QINHECLXSA-N	1	0	365.518	1.447	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2cc(CO)ccc2F)[C@H](C)C1	ZINC001106064793	865103921	/nfs/dbraw/zinc/10/39/21/865103921.db2.gz	IFLDOBNOLVLKDF-ZTQAJYAQSA-N	1	0	364.461	1.829	20	30		FDEDRO
CCC(=O)N1CC[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)C1	ZINC001088963679	865752626	/nfs/dbraw/zinc/75/26/26/865752626.db2.gz	RKEOYAVFLCEGET-LZQZEXGQSA-N	1	0	368.481	1.896	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCc2ccccc2F)C[C@H]1OC	ZINC001212193132	865932068	/nfs/dbraw/zinc/93/20/68/865932068.db2.gz	AJRGFURNJPZQEA-LMMKCTJWSA-N	1	0	350.434	1.511	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1OC	ZINC001212194246	866047896	/nfs/dbraw/zinc/04/78/96/866047896.db2.gz	PYNKLNMQFUHHNC-ZHALLVOQSA-N	1	0	354.491	1.336	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1	ZINC000173784899	866133403	/nfs/dbraw/zinc/13/34/03/866133403.db2.gz	OYOPNXNCQUEYGL-OAHLLOKOSA-N	1	0	362.449	1.843	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3ccccc3C)[C@H]2C)C1=O	ZINC001089030407	866154606	/nfs/dbraw/zinc/15/46/06/866154606.db2.gz	CUALRGHYSJAHSD-NEWSRXKRSA-N	1	0	355.482	1.903	20	30		FDEDRO
CC(C)[C@H](CNC(=O)NCc1ccc(C#N)c(F)c1)[NH+]1CCN(C)CC1	ZINC000457624791	867594776	/nfs/dbraw/zinc/59/47/76/867594776.db2.gz	RVOMOWIGKLYGOA-SFHVURJKSA-N	1	0	361.465	1.769	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)c2occc2C[NH+](C)C)C1	ZINC000992065938	867610509	/nfs/dbraw/zinc/61/05/09/867610509.db2.gz	ANRCNROCXNPIAE-CVEARBPZSA-N	1	0	361.442	1.263	20	30		FDEDRO
COc1cc(CNC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)ccc1C#N	ZINC000462469664	867998275	/nfs/dbraw/zinc/99/82/75/867998275.db2.gz	CFOXBCNFMSRJQC-HNNXBMFYSA-N	1	0	374.485	1.801	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCC2CC(NC(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000992157902	868070719	/nfs/dbraw/zinc/07/07/19/868070719.db2.gz	UOAIBCBIOWICQI-IBGATYGBSA-N	1	0	357.458	1.241	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]CC(=O)N(C)c1ccccc1	ZINC001106101115	868087491	/nfs/dbraw/zinc/08/74/91/868087491.db2.gz	JFUDKUSZQOOKRX-SJLPKXTDSA-N	1	0	353.466	1.747	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]Cc2cc(=O)[nH]c(C3CC3)n2)[C@H](C)C1	ZINC001106102989	868124913	/nfs/dbraw/zinc/12/49/13/868124913.db2.gz	ZUNJWQLAOMTZEM-GDBMZVCRSA-N	1	0	356.470	1.903	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCc3ccccc32)[C@H](C)C1	ZINC001106104556	868131518	/nfs/dbraw/zinc/13/15/18/868131518.db2.gz	AAOIIWIRRQHMQZ-IEBWSBKVSA-N	1	0	367.493	1.919	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]CC(=O)NCc1cccs1	ZINC001106105957	868164030	/nfs/dbraw/zinc/16/40/30/868164030.db2.gz	ASRFWXSXYIDHFC-GDBMZVCRSA-N	1	0	359.495	1.462	20	30		FDEDRO
C#CCCOc1ccc(C[NH2+]CCNS(=O)(=O)Cc2ccon2)cc1	ZINC000749922258	868214102	/nfs/dbraw/zinc/21/41/02/868214102.db2.gz	BZFGKPCCSFBORT-UHFFFAOYSA-N	1	0	363.439	1.286	20	30		FDEDRO
C=C(C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001061623333	882164824	/nfs/dbraw/zinc/16/48/24/882164824.db2.gz	XFJVDNHBXZMBIB-YESZJQIVSA-N	1	0	351.491	1.417	20	30		FDEDRO
CC(C)(C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1O)[NH+]1CCCC1	ZINC001077505191	868356432	/nfs/dbraw/zinc/35/64/32/868356432.db2.gz	SOPYCWWTDKYMHD-QZTJIDSGSA-N	1	0	356.470	1.094	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C[NH2+]CCOC[C@@H]1CCCO1	ZINC001106112344	868400628	/nfs/dbraw/zinc/40/06/28/868400628.db2.gz	JWEISFBQOQEXPH-KURKYZTESA-N	1	0	350.503	1.916	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2ccnc(N(C)C)c2)[C@H](C)C1	ZINC001106114687	868505637	/nfs/dbraw/zinc/50/56/37/868505637.db2.gz	GAJJUQSTZQECJY-SJLPKXTDSA-N	1	0	358.486	1.372	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CCn2cc(Cl)cn2)[C@H](C)C1	ZINC001106116584	868577689	/nfs/dbraw/zinc/57/76/89/868577689.db2.gz	HUBVXBRNERKBEF-RBSFLKMASA-N	1	0	352.866	1.259	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nc(C3CCC3)no2)[C@H](C)C1	ZINC001106116520	868578043	/nfs/dbraw/zinc/57/80/43/868578043.db2.gz	FHNHRSDDBSQIGH-IJEWVQPXSA-N	1	0	360.458	1.560	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c(C)noc2CCC)C[C@H]1C	ZINC001106117626	868602426	/nfs/dbraw/zinc/60/24/26/868602426.db2.gz	WFOMMUNJBYGLPU-UKRRQHHQSA-N	1	0	362.474	1.535	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC)[C@H](C)C2)cc1	ZINC001106119965	868713947	/nfs/dbraw/zinc/71/39/47/868713947.db2.gz	LFJRROJXZPFKLE-SJLPKXTDSA-N	1	0	371.481	1.523	20	30		FDEDRO
C=CCCOCCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)C)[C@H](C)C1	ZINC001106123645	868896062	/nfs/dbraw/zinc/89/60/62/868896062.db2.gz	WHQDVYPOLIRRIR-QZTJIDSGSA-N	1	0	367.534	1.958	20	30		FDEDRO
C=CCCOCCCCC(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1	ZINC001106123714	868897361	/nfs/dbraw/zinc/89/73/61/868897361.db2.gz	YZNAEGBGLBXFLW-QZTJIDSGSA-N	1	0	356.507	1.442	20	30		FDEDRO
C=CCCOCCCCC(=O)N1C[C@@H](C[NH2+]CCn2cncn2)[C@H](C)C1	ZINC001106124412	868907882	/nfs/dbraw/zinc/90/78/82/868907882.db2.gz	NQYYMZAGKOPHHQ-QZTJIDSGSA-N	1	0	363.506	1.725	20	30		FDEDRO
C[C@@H](C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)c1cccc(C#N)c1	ZINC000464557065	868943838	/nfs/dbraw/zinc/94/38/38/868943838.db2.gz	VHDRYKMWDIPDNT-OAHLLOKOSA-N	1	0	356.470	1.578	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)NC(N)=O)C[C@H]1C	ZINC001106126688	868996750	/nfs/dbraw/zinc/99/67/50/868996750.db2.gz	SQBIFWQFHMTRGW-YUSALJHKSA-N	1	0	361.284	1.026	20	30		FDEDRO
CC[N@H+](CCNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)C(C)C	ZINC000464940658	869067582	/nfs/dbraw/zinc/06/75/82/869067582.db2.gz	DIJBXEUSQBOOQX-OAHLLOKOSA-N	1	0	359.478	1.299	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCOC)C1	ZINC001112335189	869191660	/nfs/dbraw/zinc/19/16/60/869191660.db2.gz	ZBZSLDURBRYRSX-UHOSZYNNSA-N	1	0	354.491	1.195	20	30		FDEDRO
N#Cc1ccc(OCC(=O)NC23CC[NH+](CC2)C3)cc1Br	ZINC000913634955	869268010	/nfs/dbraw/zinc/26/80/10/869268010.db2.gz	LFZUNQJGICWGHI-UHFFFAOYSA-N	1	0	350.216	1.664	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC(NC(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000992424915	869332459	/nfs/dbraw/zinc/33/24/59/869332459.db2.gz	RRMLLTCFKIATLU-OWDOZIACSA-N	1	0	368.437	1.550	20	30		FDEDRO
C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)CC[C@@H]2C1	ZINC000946818396	882353954	/nfs/dbraw/zinc/35/39/54/882353954.db2.gz	JMLATLMEWUADBC-FCGDIQPGSA-N	1	0	356.470	1.092	20	30		FDEDRO
N#C[C@@H]1CCCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1	ZINC000916759514	882381693	/nfs/dbraw/zinc/38/16/93/882381693.db2.gz	PPEQOWITZOJKDO-KRWDZBQOSA-N	1	0	371.489	1.324	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC2CCN(C(=O)c3ccco3)CC2)CC1	ZINC000913982551	870219458	/nfs/dbraw/zinc/21/94/58/870219458.db2.gz	IOWBRTNOGFLDQU-UHFFFAOYSA-N	1	0	358.442	1.281	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)CC1	ZINC000913991904	870256133	/nfs/dbraw/zinc/25/61/33/870256133.db2.gz	ITCNYPRPAUGTKO-UHFFFAOYSA-N	1	0	368.481	1.819	20	30		FDEDRO
C#CCN(C(=O)NCc1ccnc(N2CCCC2)c1)C1CC[NH+](C)CC1	ZINC000913994562	870272012	/nfs/dbraw/zinc/27/20/12/870272012.db2.gz	LSHHRCSUVJBSDK-UHFFFAOYSA-N	1	0	355.486	1.921	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@H](C#N)C3)cn2)CC1	ZINC000914058568	870507402	/nfs/dbraw/zinc/50/74/02/870507402.db2.gz	AHJLFDJDHAPJAL-MRXNPFEDSA-N	1	0	356.474	1.669	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2C)nc1	ZINC000994384365	882453145	/nfs/dbraw/zinc/45/31/45/882453145.db2.gz	NSZAFVCKIWKMEP-KBAYOESNSA-N	1	0	368.481	1.229	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000493107949	870929698	/nfs/dbraw/zinc/92/96/98/870929698.db2.gz	TVWKXAXVGBRQEN-WOJBJXKFSA-N	1	0	357.498	1.902	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1)C(C)C	ZINC000914127225	870947746	/nfs/dbraw/zinc/94/77/46/870947746.db2.gz	AJUAVKMLNOOIEK-XDNAFOTISA-N	1	0	351.491	1.788	20	30		FDEDRO
N#Cc1cc(CS(=O)(=O)NCCCC[N@H+]2CCC[C@H]2CO)cs1	ZINC000914156562	871149089	/nfs/dbraw/zinc/14/90/89/871149089.db2.gz	BJRCLUICDQMPPX-AWEZNQCLSA-N	1	0	357.501	1.276	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNc2snc(Cl)c2C#N)CC[N@@H+]1C	ZINC001106142084	871154639	/nfs/dbraw/zinc/15/46/39/871154639.db2.gz	KTMRJICTNBBMSZ-JFGNBEQYSA-N	1	0	371.894	1.287	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1	ZINC001033421153	882486245	/nfs/dbraw/zinc/48/62/45/882486245.db2.gz	MHXMIHSKSVXAEB-FGTMMUONSA-N	1	0	363.502	1.655	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C[C@H]1C	ZINC001106143529	871370817	/nfs/dbraw/zinc/37/08/17/871370817.db2.gz	DWRGLUKWGHWMCA-NCXUSEDFSA-N	1	0	354.498	1.861	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCN2CCCC2=O)[C@H](C)C1	ZINC001106147343	871404066	/nfs/dbraw/zinc/40/40/66/871404066.db2.gz	XSTCXPPKLZBIMO-TVFCKZIOSA-N	1	0	363.502	1.274	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc(C)c2F)C[C@H]1C	ZINC001106159545	871473093	/nfs/dbraw/zinc/47/30/93/871473093.db2.gz	WQBHNMUJTNLAOJ-OWCLPIDISA-N	1	0	359.445	1.570	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C)cn1	ZINC000994389890	882520236	/nfs/dbraw/zinc/52/02/36/882520236.db2.gz	KJDZUIJNAOHUIK-FXRXJOCMSA-N	1	0	368.481	1.227	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c(C)oc3ccccc32)C[C@H]1C	ZINC001106169923	871559625	/nfs/dbraw/zinc/55/96/25/871559625.db2.gz	LWBBKIMSMRRMDG-GDBMZVCRSA-N	1	0	367.449	1.788	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)NC(=O)c2ccoc2)C[C@H]1C	ZINC001106169629	871559951	/nfs/dbraw/zinc/55/99/51/871559951.db2.gz	GAXIAHYKAQDMAB-HLLBOEOZSA-N	1	0	363.458	1.285	20	30		FDEDRO
C#C[C@H](NC(=O)N[C@@H]1C[C@@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O)[C@@H]1CCCO1	ZINC000922048225	871571766	/nfs/dbraw/zinc/57/17/66/871571766.db2.gz	VRKPOOPVQXANKD-URNBORRASA-N	1	0	363.502	1.336	20	30		FDEDRO
CC(C)(C#N)CS(=O)(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000914174541	871679953	/nfs/dbraw/zinc/67/99/53/871679953.db2.gz	APEJQVZTAKBXKL-KRWDZBQOSA-N	1	0	351.472	1.093	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@H](CC)c2ccccc2OCC(=O)N(C)C)C1=O	ZINC000499600123	871686695	/nfs/dbraw/zinc/68/66/95/871686695.db2.gz	KLKIUGWDTZMMOC-IAGOWNOFSA-N	1	0	359.470	1.981	20	30		FDEDRO
CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)Cc2csc(C#N)c2)CC1	ZINC000914187553	871764267	/nfs/dbraw/zinc/76/42/67/871764267.db2.gz	NOQOVZFFJVDDSA-CQSZACIVSA-N	1	0	370.544	1.313	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1	ZINC000922082754	871928546	/nfs/dbraw/zinc/92/85/46/871928546.db2.gz	WMUMMSJOKBZXIT-SWLSCSKDSA-N	1	0	356.879	1.765	20	30		FDEDRO
COc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nn1	ZINC000499618437	871964480	/nfs/dbraw/zinc/96/44/80/871964480.db2.gz	VEKYWDRDWGTAIK-UHFFFAOYSA-N	1	0	354.414	1.953	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)C=C4CCC4)C[C@]3(C)C2)CC1	ZINC000992777880	872086950	/nfs/dbraw/zinc/08/69/50/872086950.db2.gz	VKDNAGDCRPWKNV-SIKLNZKXSA-N	1	0	369.509	1.749	20	30		FDEDRO
C#CCN(C(=O)NCc1cc([N+](=O)[O-])ccc1OC)C1CC[NH+](C)CC1	ZINC000914292754	872246010	/nfs/dbraw/zinc/24/60/10/872246010.db2.gz	ZTDKJVZLHFIFRR-UHFFFAOYSA-N	1	0	360.414	1.842	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2	ZINC001003021322	872312780	/nfs/dbraw/zinc/31/27/80/872312780.db2.gz	NOZIOAIHBYPKCD-BBWFWOEESA-N	1	0	361.486	1.123	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cc3cc[nH]c(=O)c3s2)[C@H](OC)C1	ZINC001212491383	872329834	/nfs/dbraw/zinc/32/98/34/872329834.db2.gz	DZTRUXUNRIRGQT-ZIAGYGMSSA-N	1	0	361.467	1.985	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001033491103	882620117	/nfs/dbraw/zinc/62/01/17/882620117.db2.gz	ZXPLCAYKFGHJAK-ZIFCJYIRSA-N	1	0	354.454	1.157	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2CC)[C@H](OC)C1	ZINC001212495894	872518569	/nfs/dbraw/zinc/51/85/69/872518569.db2.gz	STKSVIKDSNXAPM-FGTMMUONSA-N	1	0	355.523	1.493	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cccc(-n3ccnc3)n2)[C@H](OC)C1	ZINC001212495829	872519686	/nfs/dbraw/zinc/51/96/86/872519686.db2.gz	PCXBYKPFLCCFFY-IAGOWNOFSA-N	1	0	355.442	1.663	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2	ZINC001003119982	872609347	/nfs/dbraw/zinc/60/93/47/872609347.db2.gz	NENOUMUBTXKIPF-DZVNLGKHSA-N	1	0	373.497	1.312	20	30		FDEDRO
CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1cc(C#N)ccc1Br	ZINC000922161794	873063511	/nfs/dbraw/zinc/06/35/11/873063511.db2.gz	WQAGFSZSIRAMEM-GFCCVEGCSA-N	1	0	360.277	1.738	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCn3cccn3)C2)nn1	ZINC001112541941	873078843	/nfs/dbraw/zinc/07/88/43/873078843.db2.gz	XGTYJGLLDDPHHJ-LPHOPBHVSA-N	1	0	369.473	1.193	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2-c2ccncc2)[C@H](OC)C1	ZINC001212509465	873108260	/nfs/dbraw/zinc/10/82/60/873108260.db2.gz	BQSRBLYPLNMDFM-IAGOWNOFSA-N	1	0	355.442	1.867	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C)n(C(F)F)n2)C[C@H]1C	ZINC001106185505	873175012	/nfs/dbraw/zinc/17/50/12/873175012.db2.gz	NOTQLDOWFUIHOF-DGCLKSJQSA-N	1	0	369.416	1.187	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccnn2CCC)C[C@H]1C	ZINC001106187019	873186206	/nfs/dbraw/zinc/18/62/06/873186206.db2.gz	OTWJSWRQAYVUGK-BZUAXINKSA-N	1	0	361.490	1.282	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(F)c[nH]2)CC1	ZINC001003365255	873212714	/nfs/dbraw/zinc/21/27/14/873212714.db2.gz	KBRYKILSFPBYKB-NUJGCVRESA-N	1	0	372.444	1.361	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC2CC2)[C@H](C)C1	ZINC001106193161	873272569	/nfs/dbraw/zinc/27/25/69/873272569.db2.gz	AVPLFOBNNXFRQN-ZIAGYGMSSA-N	1	0	350.463	1.015	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc3occc3[nH]2)C[C@H]1C	ZINC001106194654	873281421	/nfs/dbraw/zinc/28/14/21/873281421.db2.gz	VRKJGAUOTYKLSA-MGPQQGTHSA-N	1	0	356.426	1.197	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C[C@H]1C	ZINC001106203811	873681849	/nfs/dbraw/zinc/68/18/49/873681849.db2.gz	XGMKMLJUACNGIK-FVQBIDKESA-N	1	0	355.910	1.928	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)C4(C)CC4)C[C@]3(C)C2)CC1	ZINC000993020118	873710136	/nfs/dbraw/zinc/71/01/36/873710136.db2.gz	ZKRVAXHVUFIUCM-UTKZUKDTSA-N	1	0	357.498	1.439	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)/C(C)=C\C)C[C@@]3(C)C2)CC1	ZINC000993020349	873711568	/nfs/dbraw/zinc/71/15/68/873711568.db2.gz	OMSJEOHHQSKHHW-WVOQFUEWSA-N	1	0	357.498	1.605	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C[C@H](C)N1CC#N	ZINC000922203771	873713013	/nfs/dbraw/zinc/71/30/13/873713013.db2.gz	WKBBGTHXDNWEMT-BBWFWOEESA-N	1	0	351.495	1.115	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)/C=C/C4CC4)C[C@@]3(C)C2)CC1	ZINC000993022144	873718367	/nfs/dbraw/zinc/71/83/67/873718367.db2.gz	YILWQXJLXMYWFR-UQDKTNTBSA-N	1	0	369.509	1.605	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cn2ccc(C(F)F)n2)C[C@H]1C	ZINC001106226887	873988475	/nfs/dbraw/zinc/98/84/75/873988475.db2.gz	ISRTVRYBKVGTFG-ZIAGYGMSSA-N	1	0	356.417	1.707	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3ccnc(OC)n3)[C@H](C)C2)CCC1	ZINC001106236591	874064090	/nfs/dbraw/zinc/06/40/90/874064090.db2.gz	WGFXAFJSOPZHSS-HZPDHXFCSA-N	1	0	356.470	1.863	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]C[C@H]3CCc4ncnn43)[C@H](C)C2)CCC1	ZINC001106237050	874065485	/nfs/dbraw/zinc/06/54/85/874065485.db2.gz	CVKGJUMEECSNDH-BRWVUGGUSA-N	1	0	355.486	1.643	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]C[C@@H]3CCS(=O)(=O)C3)[C@H](C)C2)CCC1	ZINC001106237643	874066845	/nfs/dbraw/zinc/06/68/45/874066845.db2.gz	PGTSKBDKRXTVRY-IXDOHACOSA-N	1	0	366.527	1.299	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1	ZINC001106252270	874144550	/nfs/dbraw/zinc/14/45/50/874144550.db2.gz	JEPQSHSNGTYNMQ-HUUCEWRRSA-N	1	0	353.488	1.016	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)COCC2CCCC2)C[C@H]1C	ZINC001106269901	874295418	/nfs/dbraw/zinc/29/54/18/874295418.db2.gz	IIEDKTHVLQKMLP-SOLBZPMBSA-N	1	0	365.518	1.568	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106283154	874422152	/nfs/dbraw/zinc/42/21/52/874422152.db2.gz	NDDDDTFGFKQHLR-QRQLOZEOSA-N	1	0	353.466	1.248	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCc2ccsc2)C[C@H]1C	ZINC001106288952	874507496	/nfs/dbraw/zinc/50/74/96/874507496.db2.gz	UPRGPPQHTGXIQL-NVXWUHKLSA-N	1	0	361.511	1.504	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3oc(C)nc3c2)C[C@H]1C	ZINC001106297744	874594698	/nfs/dbraw/zinc/59/46/98/874594698.db2.gz	HGFQIUOBSSBBDF-CZUORRHYSA-N	1	0	370.453	1.736	20	30		FDEDRO
c1cn(-c2ccc(N=NC3CCOC[C@@H]3C[NH+]3CCCCC3)nn2)cn1	ZINC000761860999	874726782	/nfs/dbraw/zinc/72/67/82/874726782.db2.gz	ROYDKOFHTKKWSD-HNNXBMFYSA-N	1	0	355.446	1.953	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)c2ccncc2)C[C@H]1C	ZINC001106309525	874739655	/nfs/dbraw/zinc/73/96/55/874739655.db2.gz	WGROCBCRABTKKO-LZLYRXPVSA-N	1	0	358.486	1.562	20	30		FDEDRO
N#CCSCC(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@@H]1n1ccnn1	ZINC001128724208	882863568	/nfs/dbraw/zinc/86/35/68/882863568.db2.gz	VJTMAXLOZGARNI-CVEARBPZSA-N	1	0	360.487	1.377	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC)[C@H](C)C1	ZINC001106331376	874805187	/nfs/dbraw/zinc/80/51/87/874805187.db2.gz	XDEHYVMXYDGNNV-OWCLPIDISA-N	1	0	359.470	1.684	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2cccc(CC)c2)C[C@H]1C	ZINC001106333473	874820051	/nfs/dbraw/zinc/82/00/51/874820051.db2.gz	IWRHDJSSJRAXNC-MBOZVWFJSA-N	1	0	369.509	1.614	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(COCC)CC2)C[C@H]1C	ZINC001106339660	874833949	/nfs/dbraw/zinc/83/39/49/874833949.db2.gz	XVFVPIZVKKWEBE-OWCLPIDISA-N	1	0	351.491	1.178	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ncn3ccc(C)cc23)C[C@H]1C	ZINC001106347121	874848441	/nfs/dbraw/zinc/84/84/41/874848441.db2.gz	LKBVNCUAMMRPEW-IAGOWNOFSA-N	1	0	354.454	1.590	20	30		FDEDRO
CC(C)(C)CCC[N@@H+]1C[C@@H](NC(=O)CSCC#N)[C@@H](n2ccnn2)C1	ZINC001128724107	882879242	/nfs/dbraw/zinc/87/92/42/882879242.db2.gz	PYKSBZXHCJXVGP-CABCVRRESA-N	1	0	364.519	1.703	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc(C(C)C)n2)C[C@H]1C	ZINC001106382510	875013512	/nfs/dbraw/zinc/01/35/12/875013512.db2.gz	ONMUJVJFEGXXJB-IXDOHACOSA-N	1	0	370.497	1.641	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCCC(=O)N2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106400159	875101329	/nfs/dbraw/zinc/10/13/29/875101329.db2.gz	GRSQMPMFHDPTQN-MISYRCLQSA-N	1	0	367.493	1.781	20	30		FDEDRO
O=S(=O)(c1ccc(N=NC2C[NH+]3CCC2CC3)nc1)N1CCCCC1	ZINC000915048401	875332203	/nfs/dbraw/zinc/33/22/03/875332203.db2.gz	BSCZHFDSRSVECG-UHFFFAOYSA-N	1	0	363.487	1.750	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C	ZINC001106448978	875350930	/nfs/dbraw/zinc/35/09/30/875350930.db2.gz	QMHRDJVOIWDUPM-VQHPVUNQSA-N	1	0	351.491	1.450	20	30		FDEDRO
C=CC[N@@H+](CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(C)C	ZINC000917071370	882923017	/nfs/dbraw/zinc/92/30/17/882923017.db2.gz	RXKXQGFTVFVRGH-UHFFFAOYSA-N	1	0	368.499	1.983	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@](C)(C=C)CCOC)C[C@H]1C	ZINC001106482684	875623160	/nfs/dbraw/zinc/62/31/60/875623160.db2.gz	LJKYEPNXECQNNR-MDZRGWNJSA-N	1	0	351.491	1.202	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCCNC(=O)C(C)(C)C)C[C@H]1C	ZINC001106507117	875758913	/nfs/dbraw/zinc/75/89/13/875758913.db2.gz	ZCDIMIYMDNHONB-IAGOWNOFSA-N	1	0	365.518	1.263	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(OC)cs2)C[C@H]1C	ZINC001106513806	875784570	/nfs/dbraw/zinc/78/45/70/875784570.db2.gz	PHCFESQJZIZMBU-CHWSQXEVSA-N	1	0	351.472	1.357	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)NCCC)[C@H](C)C2)cc1	ZINC001106512704	875801277	/nfs/dbraw/zinc/80/12/77/875801277.db2.gz	SKXHAVLOEINGAH-JTDSTZFVSA-N	1	0	355.482	1.880	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cnc3c(c2)ncn3C)C[C@H]1C	ZINC001106514385	875820163	/nfs/dbraw/zinc/82/01/63/875820163.db2.gz	QNPCIXFDLVBNLB-GDBMZVCRSA-N	1	0	357.458	1.469	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ncoc2[C@H]2CCCO2)C[C@H]1C	ZINC001106522136	875827265	/nfs/dbraw/zinc/82/72/65/875827265.db2.gz	DVVDXSCZGNFKQL-BZUAXINKSA-N	1	0	361.442	1.474	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106545886	875913878	/nfs/dbraw/zinc/91/38/78/875913878.db2.gz	NEWLZSIRSKHIAE-SUMDDJOVSA-N	1	0	371.456	1.482	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2c[nH]nc2[C@H]2CCCO2)C[C@H]1C	ZINC001106572904	875989314	/nfs/dbraw/zinc/98/93/14/875989314.db2.gz	JHTDZCVJZFHWTB-BFYDXBDKSA-N	1	0	360.458	1.209	20	30		FDEDRO
C[C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106589101	876077156	/nfs/dbraw/zinc/07/71/56/876077156.db2.gz	XFPCUKFHPNBWDK-IEBWSBKVSA-N	1	0	366.465	1.535	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCc2ccc(C)cc2)C[C@H]1C	ZINC001106621353	876244354	/nfs/dbraw/zinc/24/43/54/876244354.db2.gz	GZYMYKLVQMKKFE-UYAOXDASSA-N	1	0	369.509	1.751	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)N1C(=O)CCC1=O)C2	ZINC001112380510	876264477	/nfs/dbraw/zinc/26/44/77/876264477.db2.gz	LGOFWNSDRXUTBY-DEYYWGMASA-N	1	0	367.877	1.495	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C2)CCC1	ZINC001106636081	876319155	/nfs/dbraw/zinc/31/91/55/876319155.db2.gz	SFEUJCVIHCFQOG-HZPDHXFCSA-N	1	0	356.532	1.852	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]CCCS(=O)(=O)CC)[C@H](C)C2)C1	ZINC001106648347	876366684	/nfs/dbraw/zinc/36/66/84/876366684.db2.gz	ATMRFBUYSNWNDM-HZPDHXFCSA-N	1	0	356.532	1.852	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NCC)[C@H](C)C2)C1	ZINC001106647387	876382175	/nfs/dbraw/zinc/38/21/75/876382175.db2.gz	NQLPSZHWIHJPSL-QLFBSQMISA-N	1	0	364.490	1.261	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N[C@@H](C)C3CC3)[C@H](C)C2)c1	ZINC001106650307	876387034	/nfs/dbraw/zinc/38/70/34/876387034.db2.gz	IVQZTUWJSVRTMX-ZRGWGRIASA-N	1	0	368.481	1.275	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cccc(-n3cncn3)c2)C[C@H]1C	ZINC001106650527	876388195	/nfs/dbraw/zinc/38/81/95/876388195.db2.gz	REIZSDHVCVUEQK-SJLPKXTDSA-N	1	0	369.469	1.768	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCC)[C@H](C)C1	ZINC001106681176	876550382	/nfs/dbraw/zinc/55/03/82/876550382.db2.gz	ZHNKWLAVILFOPA-VQHPVUNQSA-N	1	0	351.491	1.178	20	30		FDEDRO
CC[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1	ZINC001106690642	876583735	/nfs/dbraw/zinc/58/37/35/876583735.db2.gz	KNJAMQLJYCCXFL-SUYBPPKGSA-N	1	0	362.499	1.719	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2CCC(F)(F)CC2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106699120	876607067	/nfs/dbraw/zinc/60/70/67/876607067.db2.gz	FCGLGHJFEJXVJK-TZMCWYRMSA-N	1	0	356.417	1.136	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc3cc[nH]c3c2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106703338	876625937	/nfs/dbraw/zinc/62/59/37/876625937.db2.gz	JINCZOHDLQYURL-CZUORRHYSA-N	1	0	353.426	1.105	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000917126104	883068045	/nfs/dbraw/zinc/06/80/45/883068045.db2.gz	NJSBGBQGBAEIGD-UHFFFAOYSA-N	1	0	350.463	1.738	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@H](C)CS(C)(=O)=O)[C@H](C)C1	ZINC001106710316	876894250	/nfs/dbraw/zinc/89/42/50/876894250.db2.gz	GGEKFIONTJCQAS-ARFHVFGLSA-N	1	0	358.548	1.954	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)N(CC)CC)C[C@H]1C	ZINC001106721565	876964028	/nfs/dbraw/zinc/96/40/28/876964028.db2.gz	IUQHJDSLFGDBTA-TZMCWYRMSA-N	1	0	365.927	1.095	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C2(NC(N)=O)CCCCC2)C[C@H]1C	ZINC001106728950	877072054	/nfs/dbraw/zinc/07/20/54/877072054.db2.gz	ADCOLOQXFRGGOU-HZPDHXFCSA-N	1	0	366.506	1.244	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2nc(C)no2)[C@H](C)C1	ZINC001106733532	877270575	/nfs/dbraw/zinc/27/05/75/877270575.db2.gz	YMPVKMWKROWFHQ-DAXOMENPSA-N	1	0	363.462	1.033	20	30		FDEDRO
C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3cccc(C#CCO)c3)CC2)C[C@H](C)O1	ZINC000915810412	877395194	/nfs/dbraw/zinc/39/51/94/877395194.db2.gz	OSAZNVYNTRFQHI-HDICACEKSA-N	1	0	370.493	1.992	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C3)nc1	ZINC001003862236	877414733	/nfs/dbraw/zinc/41/47/33/877414733.db2.gz	HWDCVZLQPHYPOC-YSHGAJCASA-N	1	0	366.465	1.409	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]CCOCCC(C)C)[C@H](C)C2)nn1	ZINC001106744876	877451189	/nfs/dbraw/zinc/45/11/89/877451189.db2.gz	HHHWORGIGJCGGZ-IAGOWNOFSA-N	1	0	363.506	1.825	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C[C@H]1C	ZINC001106751226	877532247	/nfs/dbraw/zinc/53/22/47/877532247.db2.gz	AFWPQRFSWMMZMV-ZACQAIPSSA-N	1	0	371.547	1.451	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnc(C)nc2C)C[C@H]1C	ZINC001106776696	877742927	/nfs/dbraw/zinc/74/29/27/877742927.db2.gz	BXNWWTIUUPSQQJ-IVMMDQJWSA-N	1	0	359.474	1.082	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C	ZINC001106776374	877755094	/nfs/dbraw/zinc/75/50/94/877755094.db2.gz	JRGHVNWCZPFJJA-HUUCEWRRSA-N	1	0	352.479	1.193	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3ccccc3O2)C[C@H]1C	ZINC001106778277	877787408	/nfs/dbraw/zinc/78/74/08/877787408.db2.gz	BXMIGCVMQRHNOO-YVWKXTFCSA-N	1	0	356.466	1.714	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCC(C)(C)C)C[C@H]1C	ZINC001106785359	877890286	/nfs/dbraw/zinc/89/02/86/877890286.db2.gz	HVHMLWPYKPUPPP-HUUCEWRRSA-N	1	0	366.506	1.509	20	30		FDEDRO
CCCCCC[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106788021	877915666	/nfs/dbraw/zinc/91/56/66/877915666.db2.gz	CNFBOFFDWNSOSG-BRWVUGGUSA-N	1	0	350.507	1.917	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc(C)nc3C2)C[C@H]1C(F)(F)F	ZINC001099269844	877937904	/nfs/dbraw/zinc/93/79/04/877937904.db2.gz	SRAPYDXNRGSOJA-MGPQQGTHSA-N	1	0	356.392	1.919	20	30		FDEDRO
COCCn1cc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1	ZINC000272571634	877938115	/nfs/dbraw/zinc/93/81/15/877938115.db2.gz	OQMJALYKYAZZRP-GOSISDBHSA-N	1	0	353.426	1.686	20	30		FDEDRO
CC(C)[C@H]1CC[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)CC1	ZINC001106798429	878001530	/nfs/dbraw/zinc/00/15/30/878001530.db2.gz	DMVWRNCLQNMEPJ-BRSBDYLESA-N	1	0	362.518	1.773	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccn2C2CCCC2)C[C@H]1C	ZINC001106805791	878070642	/nfs/dbraw/zinc/07/06/42/878070642.db2.gz	ZYQJFDWXBMWELC-IAGOWNOFSA-N	1	0	370.497	1.650	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](OC)c3cccc(OC)c3)[C@H]2C1	ZINC001083153310	912315283	/nfs/dbraw/zinc/31/52/83/912315283.db2.gz	UZYZLNYLYVUAFE-IPMKNSEASA-N	1	0	360.454	1.870	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c[nH]cc2C2CC2)C[C@H]1C	ZINC001106818592	878267749	/nfs/dbraw/zinc/26/77/49/878267749.db2.gz	SBKVCQJEUWQRRB-IIAWOOMASA-N	1	0	356.470	1.328	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnc4c(c3)ncn4C)[C@H]2C1	ZINC001083161018	912345443	/nfs/dbraw/zinc/34/54/43/912345443.db2.gz	HAYUGWWKOFRIIA-DLBZAZTESA-N	1	0	355.442	1.460	20	30		FDEDRO
COc1cc(CNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)ccc1C#N	ZINC000922528713	878492926	/nfs/dbraw/zinc/49/29/26/878492926.db2.gz	CJCBHWOKCQLYFG-HZPDHXFCSA-N	1	0	360.483	1.946	20	30		FDEDRO
C=CCCC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@H]1OCC[C@H]1C)CC2	ZINC001128048037	912362153	/nfs/dbraw/zinc/36/21/53/912362153.db2.gz	KSDYXFYCQHTAOA-RKVPGOIHSA-N	1	0	361.490	1.580	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC001032677317	912367537	/nfs/dbraw/zinc/36/75/37/912367537.db2.gz	AKAOXCVHZDBYFD-LSTDLKDCSA-N	1	0	354.454	1.462	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2)C1	ZINC001033094120	878898917	/nfs/dbraw/zinc/89/89/17/878898917.db2.gz	XTDRTFAVAXDXOJ-OTWHNJEPSA-N	1	0	371.481	1.799	20	30		FDEDRO
C#CCN(C(=O)NCc1nn(C)cc1Br)C1CC[NH+](C)CC1	ZINC000922710771	879059465	/nfs/dbraw/zinc/05/94/65/879059465.db2.gz	NYRPKQITCPPNHP-UHFFFAOYSA-N	1	0	368.279	1.422	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CCO[C@H](c2ccnn2C)C1)C1CC[NH+](C)CC1	ZINC000922749653	879162424	/nfs/dbraw/zinc/16/24/24/879162424.db2.gz	QLORYVZEGSZBGY-YJBOKZPZSA-N	1	0	359.474	1.379	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O	ZINC001083832763	879214297	/nfs/dbraw/zinc/21/42/97/879214297.db2.gz	UIIUASCCUWPSTQ-NJYVYQBISA-N	1	0	369.509	1.462	20	30		FDEDRO
CS(=O)(=O)C[C@@H](O)C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1	ZINC000922826535	879389798	/nfs/dbraw/zinc/38/97/98/879389798.db2.gz	BAERBTVJCZMOKH-SFHVURJKSA-N	1	0	374.462	1.632	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1OC	ZINC000262550322	879541000	/nfs/dbraw/zinc/54/10/00/879541000.db2.gz	QXMDBJFSCHQMMC-OAHLLOKOSA-N	1	0	361.442	1.187	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C1	ZINC001004533118	879803293	/nfs/dbraw/zinc/80/32/93/879803293.db2.gz	HFALNMYTCLTTKX-SJORKVTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CCCc3ccccc3C)C[C@@H]2O)nn1	ZINC001083843490	879972356	/nfs/dbraw/zinc/97/23/56/879972356.db2.gz	KBWFUAAAHAOHSE-MJGOQNOKSA-N	1	0	369.469	1.180	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3ccn(C)c3c2)C[C@H]1C	ZINC001106835141	880034028	/nfs/dbraw/zinc/03/40/28/880034028.db2.gz	HAUNJNNCQHYTKV-CRAIPNDOSA-N	1	0	366.465	1.225	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC000993915334	880136075	/nfs/dbraw/zinc/13/60/75/880136075.db2.gz	XVIZRLJOSLPWSZ-GDBMZVCRSA-N	1	0	371.485	1.585	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc3ccncc3c2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106838161	880227916	/nfs/dbraw/zinc/22/79/16/880227916.db2.gz	PCZSAPSJLDDWAX-RDTXWAMCSA-N	1	0	365.437	1.172	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3cn(C)c4ccccc34)[C@H]2C1	ZINC001083179031	912565415	/nfs/dbraw/zinc/56/54/15/912565415.db2.gz	ATPQVSKVUBTADQ-VQTJNVASSA-N	1	0	351.450	1.656	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C	ZINC001106846415	881012000	/nfs/dbraw/zinc/01/20/00/881012000.db2.gz	ZLHGUFXPJUTFHZ-BPLDGKMQSA-N	1	0	362.923	1.638	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C	ZINC001106846416	881012399	/nfs/dbraw/zinc/01/23/99/881012399.db2.gz	ZLHGUFXPJUTFHZ-VHDGCEQUSA-N	1	0	362.923	1.638	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2ccsn2)C[C@H]1C	ZINC000994203916	881027074	/nfs/dbraw/zinc/02/70/74/881027074.db2.gz	REXNNCMFQQXILY-FMKPAKJESA-N	1	0	360.483	1.065	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CC)C[C@H]1C	ZINC001106848264	881067597	/nfs/dbraw/zinc/06/75/97/881067597.db2.gz	BINMCYNCOAYZCH-ZACQAIPSSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c(C)[nH]nc2C(C)C)C[C@H]1C	ZINC001106850374	881073291	/nfs/dbraw/zinc/07/32/91/881073291.db2.gz	XKEMPMCAUYWVKN-UKRRQHHQSA-N	1	0	361.490	1.441	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)CCCCC(N)=O)C[C@H]1C	ZINC001106854494	881104770	/nfs/dbraw/zinc/10/47/70/881104770.db2.gz	JYVPXMPWQSRDSC-DGCLKSJQSA-N	1	0	360.296	1.625	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)COCc2nc(CC)no2)C[C@H]1C	ZINC001106859977	881153056	/nfs/dbraw/zinc/15/30/56/881153056.db2.gz	CJYKFFLKUNQTTD-HUUCEWRRSA-N	1	0	366.462	1.035	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CCC[N@H+]2C)cn1	ZINC001004739773	881193666	/nfs/dbraw/zinc/19/36/66/881193666.db2.gz	LXQKVTDIAWPCIV-ZJPYXAASSA-N	1	0	352.438	1.019	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC001005392988	883195596	/nfs/dbraw/zinc/19/55/96/883195596.db2.gz	FFTIYQWTMLCYSL-HYVNUMGLSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC[NH+]([C@@H](C)C(=O)N(C)C)CC1	ZINC001005409312	883257195	/nfs/dbraw/zinc/25/71/95/883257195.db2.gz	ILGPCFBRWQVGQV-UAGQMJEPSA-N	1	0	351.491	1.367	20	30		FDEDRO
C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)NC1CCN(CC#N)CC1	ZINC000917308465	883316181	/nfs/dbraw/zinc/31/61/81/883316181.db2.gz	SLLBJWZTPPYLIW-QGZVFWFLSA-N	1	0	363.506	1.259	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O	ZINC000917458029	883447569	/nfs/dbraw/zinc/44/75/69/883447569.db2.gz	PNHPZUNUEJOVCS-UHFFFAOYSA-N	1	0	369.469	1.744	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1	ZINC000917544709	883514455	/nfs/dbraw/zinc/51/44/55/883514455.db2.gz	LNFHBKMIIBMJMQ-UHFFFAOYSA-N	1	0	355.435	1.211	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2ccccc2CC#N)CC1	ZINC000917545967	883517481	/nfs/dbraw/zinc/51/74/81/883517481.db2.gz	WWMRLVRSRSUFFS-UHFFFAOYSA-N	1	0	351.472	1.266	20	30		FDEDRO
CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)C1CC([NH2+]Cc2ccc(C#N)s2)C1	ZINC000999413946	912729668	/nfs/dbraw/zinc/72/96/68/912729668.db2.gz	ANPBVAPKQBQRSU-KBHBFKLGSA-N	1	0	360.483	1.600	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2ccnn2C)[C@@H](n2ccnn2)C1	ZINC001128794422	883661249	/nfs/dbraw/zinc/66/12/49/883661249.db2.gz	RHCOBJHPOFBTQY-WBVHZDCISA-N	1	0	359.478	1.637	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCOC2)[C@@H](n2ccnn2)C1	ZINC001128806635	883687417	/nfs/dbraw/zinc/68/74/17/883687417.db2.gz	AKAUGKVKRMQNDQ-KURKYZTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001128811731	883699983	/nfs/dbraw/zinc/69/99/83/883699983.db2.gz	BTFMOBARTJBLOG-MOPGFXCFSA-N	1	0	369.469	1.639	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1CN(C/C=C/c2ccccc2)C[C@@H]1n1ccnn1	ZINC001128821246	883720862	/nfs/dbraw/zinc/72/08/62/883720862.db2.gz	NOPDJRARDOSGFS-APTSRADASA-N	1	0	367.453	1.536	20	30		FDEDRO
Cc1ccccc1CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C#N)[C@@H](n2ccnn2)C1	ZINC001128829926	883754106	/nfs/dbraw/zinc/75/41/06/883754106.db2.gz	LMYQUKCELLUNLE-UHOSZYNNSA-N	1	0	366.469	1.721	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C)[C@@H](n2ccnn2)C1	ZINC001128830789	883757735	/nfs/dbraw/zinc/75/77/35/883757735.db2.gz	YDLYDJPBMRQFEY-SQNIBIBYSA-N	1	0	360.506	1.460	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C2CC2)C[C@@H]1n1ccnn1	ZINC001128830607	883757980	/nfs/dbraw/zinc/75/79/80/883757980.db2.gz	UZHRXHABEFNULI-ZMYBRWDISA-N	1	0	364.453	1.857	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](CCCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001128833771	883784021	/nfs/dbraw/zinc/78/40/21/883784021.db2.gz	BBDQPOKEEIDMNH-NXHRZFHOSA-N	1	0	352.442	1.412	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000917899700	883907237	/nfs/dbraw/zinc/90/72/37/883907237.db2.gz	XNLWIBSHGONCRZ-HNNXBMFYSA-N	1	0	350.463	1.393	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](n2ccnn2)C1	ZINC001128878563	883920543	/nfs/dbraw/zinc/92/05/43/883920543.db2.gz	WSSMCERCYAJSFV-MSOLQXFVSA-N	1	0	367.457	1.880	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1n1ccnn1	ZINC001128907757	884048634	/nfs/dbraw/zinc/04/86/34/884048634.db2.gz	GOVKZRBZPRZJOT-MSOLQXFVSA-N	1	0	359.474	1.382	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)CNc3ccc(C#N)cn3)CC2)cc1	ZINC000498070512	884075087	/nfs/dbraw/zinc/07/50/87/884075087.db2.gz	VOTVEJOZLVPSQB-UHFFFAOYSA-N	1	0	374.448	1.971	20	30		FDEDRO
C#CC[C@H]1CCCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C1	ZINC000827995667	884078907	/nfs/dbraw/zinc/07/89/07/884078907.db2.gz	GOQFYXVTNVKMOM-INIZCTEOSA-N	1	0	352.504	1.486	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1n1ccnn1	ZINC001128914428	884103182	/nfs/dbraw/zinc/10/31/82/884103182.db2.gz	XTXKCCPKGSYSRD-KURKYZTESA-N	1	0	359.474	1.240	20	30		FDEDRO
CC1(N2CCOCC2)CCN(S(=O)(=O)Cc2csc(C#N)c2)CC1	ZINC000918152464	884179199	/nfs/dbraw/zinc/17/91/99/884179199.db2.gz	YTCZUQBRLJVJSK-UHFFFAOYSA-N	1	0	369.512	1.636	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2C)c1	ZINC000994567821	884314149	/nfs/dbraw/zinc/31/41/49/884314149.db2.gz	QTYZDWSFXJFTRX-CRAIPNDOSA-N	1	0	368.481	1.372	20	30		FDEDRO
C[NH+]1C[C@]2(C)CN(S(=O)(=O)Cc3ccc(C#N)cc3F)C[C@@]2(C)C1	ZINC000918360769	884370175	/nfs/dbraw/zinc/37/01/75/884370175.db2.gz	VGTYNOKRAMXOCB-IAGOWNOFSA-N	1	0	351.447	1.801	20	30		FDEDRO
Cc1c(CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cnn1C	ZINC000498222732	884425477	/nfs/dbraw/zinc/42/54/77/884425477.db2.gz	XDFJKUDCUOIOOQ-UHFFFAOYSA-N	1	0	351.454	1.946	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC2(OC)CCC2)[C@@H](n2ccnn2)C1	ZINC001128958146	884451917	/nfs/dbraw/zinc/45/19/17/884451917.db2.gz	SDSWCRALJFBYAL-BBWFWOEESA-N	1	0	361.490	1.934	20	30		FDEDRO
CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@@H]1O	ZINC001083961518	912877341	/nfs/dbraw/zinc/87/73/41/912877341.db2.gz	YDGPBYARTMQEAF-WBVHZDCISA-N	1	0	371.466	1.056	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1	ZINC000498502360	885058177	/nfs/dbraw/zinc/05/81/77/885058177.db2.gz	ZYZSAGVQCOLFDF-XYPHTWIQSA-N	1	0	360.433	1.965	20	30		FDEDRO
C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C1	ZINC000918963161	885095525	/nfs/dbraw/zinc/09/55/25/885095525.db2.gz	RYSDSECYHYRVPX-SFHVURJKSA-N	1	0	365.499	1.565	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(C[NH2+]Cc2cnnn2C)cc1	ZINC001034826565	885232000	/nfs/dbraw/zinc/23/20/00/885232000.db2.gz	OVHXTWHUKZQLHK-OALUTQOASA-N	1	0	369.469	1.702	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccnn2C(F)F)[C@@H](n2ccnn2)C1	ZINC001129019867	885248735	/nfs/dbraw/zinc/24/87/35/885248735.db2.gz	CCDLJTOMPGLNEP-OCCSQVGLSA-N	1	0	365.388	1.491	20	30		FDEDRO
C=C1CCC(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1	ZINC000919072828	885269961	/nfs/dbraw/zinc/26/99/61/885269961.db2.gz	RRTOYIHZJCSBGN-GOSISDBHSA-N	1	0	350.507	1.439	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001129025869	885288305	/nfs/dbraw/zinc/28/83/05/885288305.db2.gz	SWRXCZLBYSEZLO-CEXWTWQISA-N	1	0	369.469	1.710	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](OCC)C2CC2)C[C@@H]1n1ccnn1	ZINC001129029509	885338252	/nfs/dbraw/zinc/33/82/52/885338252.db2.gz	GFJFIFMRNZQUMP-FGTMMUONSA-N	1	0	361.490	1.791	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@@H]2n2ccnn2)CCC1	ZINC001129048958	885536560	/nfs/dbraw/zinc/53/65/60/885536560.db2.gz	MDFYKMZWYXSEPV-KSZLIROESA-N	1	0	371.485	1.240	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2ccnc2)[C@@H](n2ccnn2)C1	ZINC001129054883	885587998	/nfs/dbraw/zinc/58/79/98/885587998.db2.gz	OENKIZKVUKGOMM-KURKYZTESA-N	1	0	371.489	1.680	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CCCc2ccsc2)[C@@H](n2ccnn2)C1	ZINC001129059847	885618722	/nfs/dbraw/zinc/61/87/22/885618722.db2.gz	GDAIPVHXPOIOJW-SJORKVTESA-N	1	0	357.483	1.727	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(c3ccc(C)nn3)C2)CC1	ZINC000919380470	885673115	/nfs/dbraw/zinc/67/31/15/885673115.db2.gz	GCSRPBIOTBJFFE-QGZVFWFLSA-N	1	0	356.474	1.151	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCOC[C@H]3CCCO3)[C@H](C)C2)cn1	ZINC001106894404	885747339	/nfs/dbraw/zinc/74/73/39/885747339.db2.gz	KFHYQQDMJFYOFT-YVWKXTFCSA-N	1	0	371.481	1.556	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCOC[C@@H]3CCCO3)[C@H](C)C2)cn1	ZINC001106894356	885748178	/nfs/dbraw/zinc/74/81/78/885748178.db2.gz	KFHYQQDMJFYOFT-POAQFYNOSA-N	1	0	371.481	1.556	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)Cc2cc(CC)nn2C)[C@@H](n2ccnn2)C1	ZINC001129113738	885757431	/nfs/dbraw/zinc/75/74/31/885757431.db2.gz	QPUYUDTZVSUSRJ-MSOLQXFVSA-N	1	0	371.489	1.124	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]C[C@H](O)CC(F)(F)F)[C@H](C)C2)nc1	ZINC001106894653	885765732	/nfs/dbraw/zinc/76/57/32/885765732.db2.gz	QUXRPTFKWCUXSU-BPLDGKMQSA-N	1	0	369.387	1.674	20	30		FDEDRO
CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1OCC[C@@H]1Cn1cccn1)CC2	ZINC001035237391	885800309	/nfs/dbraw/zinc/80/03/09/885800309.db2.gz	DZWJTFQERWFAHB-RTBURBONSA-N	1	0	370.497	1.626	20	30		FDEDRO
CCc1ccc([C@H](O)C[N@@H+]2C[C@@H](NC(=O)C#CC(C)C)[C@H](OC)C2)cc1	ZINC001212241081	885806177	/nfs/dbraw/zinc/80/61/77/885806177.db2.gz	JTMJHMNFZOIHPP-VAMGGRTRSA-N	1	0	358.482	1.757	20	30		FDEDRO
C=CCN1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](n2ccnn2)C1	ZINC001129128377	885826115	/nfs/dbraw/zinc/82/61/15/885826115.db2.gz	VLGSVTNUOJSPNU-MSOLQXFVSA-N	1	0	360.506	1.460	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2csnn2)[C@@H](n2ccnn2)C1	ZINC001129139420	885841567	/nfs/dbraw/zinc/84/15/67/885841567.db2.gz	JLKHZEGXSSKURZ-HIFRSBDPSA-N	1	0	363.491	1.755	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCc2cnn(CC)c2)C[C@@H]1n1ccnn1	ZINC001129159866	885894339	/nfs/dbraw/zinc/89/43/39/885894339.db2.gz	ZNNQZQXKJZDFBC-SJORKVTESA-N	1	0	371.489	1.291	20	30		FDEDRO
CO[C@@H](Cc1ccccc1)C[N@@H+]1C[C@@H](NC(=O)C#CC(C)C)[C@H](OC)C1	ZINC001212241701	885948145	/nfs/dbraw/zinc/94/81/45/885948145.db2.gz	VZNQQFTXCMBDOD-XUVXKRRUSA-N	1	0	358.482	1.719	20	30		FDEDRO
C=CCC1(C(=O)NC[C@@H]2COCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1	ZINC001061871264	885991262	/nfs/dbraw/zinc/99/12/62/885991262.db2.gz	WLWYFKKSLAQMBH-BRWVUGGUSA-N	1	0	363.502	1.417	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106896257	886011161	/nfs/dbraw/zinc/01/11/61/886011161.db2.gz	CLVCGSJOKOIXMT-NRSFXHEJSA-N	1	0	354.454	1.114	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](OCC)C2CC2)C[C@@H]1n1ccnn1	ZINC001129210926	886569842	/nfs/dbraw/zinc/56/98/42/886569842.db2.gz	YYUTUBDTNXMZDZ-FGTMMUONSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001060740786	886664797	/nfs/dbraw/zinc/66/47/97/886664797.db2.gz	UWLBAYFCMZRTBM-CWQOZTLDSA-N	1	0	365.518	1.709	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+](C[C@H](CC)OC)C[C@@H]2n2ccnn2)CCC1	ZINC001129243244	886808516	/nfs/dbraw/zinc/80/85/16/886808516.db2.gz	KKEYHJGUONUXTB-BBWFWOEESA-N	1	0	361.490	1.791	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CCCCCC)C[C@@H]2n2ccnn2)c1	ZINC001129243764	886812493	/nfs/dbraw/zinc/81/24/93/886812493.db2.gz	VIXXTKIUFSDPQY-MOPGFXCFSA-N	1	0	366.469	1.890	20	30		FDEDRO
CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)CC3(CC#N)CC3)C2)[C@H]1C(C)C	ZINC000920301427	886838147	/nfs/dbraw/zinc/83/81/47/886838147.db2.gz	CKYBVCGHFGSMPB-KONPQCLYSA-N	1	0	369.531	1.469	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)CC1	ZINC000804200896	886874021	/nfs/dbraw/zinc/87/40/21/886874021.db2.gz	UOAWDSFUMYIVOR-AWEZNQCLSA-N	1	0	373.419	1.639	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(C#N)nc2)CC[N@@H+]1C	ZINC001062046529	886935976	/nfs/dbraw/zinc/93/59/76/886935976.db2.gz	CJCPUNDVUUHBRT-ZSYWTGECSA-N	1	0	353.470	1.863	20	30		FDEDRO
Cc1ccc(C#N)c(N(C)C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001062186294	886971860	/nfs/dbraw/zinc/97/18/60/886971860.db2.gz	JHAJMAUQUJLARY-JFIYKMOQSA-N	1	0	355.486	1.887	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCCN1C(=O)C[NH+](CC)CC	ZINC001062228160	886993271	/nfs/dbraw/zinc/99/32/71/886993271.db2.gz	RQHODWRQLZFLNB-KURKYZTESA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCc2cncs2)[C@@H](n2ccnn2)C1	ZINC001129266015	887049625	/nfs/dbraw/zinc/04/96/25/887049625.db2.gz	DSTMFILKALTTIF-CVEARBPZSA-N	1	0	360.487	1.675	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C	ZINC001062354131	887071408	/nfs/dbraw/zinc/07/14/08/887071408.db2.gz	RYKCHPWWWUTUGH-ZJPYXAASSA-N	1	0	365.518	1.661	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1	ZINC001062598213	887141571	/nfs/dbraw/zinc/14/15/71/887141571.db2.gz	MNJZYWQKLNTUTD-SYAUCNOPSA-N	1	0	354.458	1.040	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](n2ccnn2)C1	ZINC001129276244	887275323	/nfs/dbraw/zinc/27/53/23/887275323.db2.gz	CIUUDQJAWSBMHF-CABCVRRESA-N	1	0	368.913	1.350	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1	ZINC000507215299	887347775	/nfs/dbraw/zinc/34/77/75/887347775.db2.gz	YWIBLEZKRDYJPQ-UHFFFAOYSA-N	1	0	360.377	1.736	20	30		FDEDRO
C#CCN(C(=O)NCCc1cn2cccc(C)c2n1)C1CC[NH+](C)CC1	ZINC000921175483	887482077	/nfs/dbraw/zinc/48/20/77/887482077.db2.gz	YSOWBUSERPWFSN-UHFFFAOYSA-N	1	0	353.470	1.924	20	30		FDEDRO
C#CC[C@@H](CO)NC(=O)NC[C@H]1CCC[N@H+](C2CC2)[C@@H]1c1ccnn1C	ZINC000923051661	887923037	/nfs/dbraw/zinc/92/30/37/887923037.db2.gz	ZHKZXBJJXLZAFW-VKJFTORMSA-N	1	0	359.474	1.019	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)NCC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCC1	ZINC001062666261	887938735	/nfs/dbraw/zinc/93/87/35/887938735.db2.gz	CFXPEWJRDAKGPZ-IXDOHACOSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[NH+]3CCC2CC3)C1	ZINC001005959320	888260456	/nfs/dbraw/zinc/26/04/56/888260456.db2.gz	MFADKQFBAOTYCR-XDNAFOTISA-N	1	0	357.498	1.933	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)sc2C)C[C@H]1OC	ZINC001212265030	888277312	/nfs/dbraw/zinc/27/73/12/888277312.db2.gz	XTFABVMSJZRFCU-KBRIMQKVSA-N	1	0	350.484	1.719	20	30		FDEDRO
CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1	ZINC000462006670	888424465	/nfs/dbraw/zinc/42/44/65/888424465.db2.gz	XMBCKOHWUNKYJG-MRXNPFEDSA-N	1	0	367.457	2.253	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC000938605786	888940286	/nfs/dbraw/zinc/94/02/86/888940286.db2.gz	FFIBXDWYKFVLJQ-FHLIZLRMSA-N	1	0	354.454	1.076	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](N(C)C(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000938669317	889071975	/nfs/dbraw/zinc/07/19/75/889071975.db2.gz	IXHCFJQMQXCIEX-CEXWTWQISA-N	1	0	357.498	1.437	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	ZINC000929386549	889201765	/nfs/dbraw/zinc/20/17/65/889201765.db2.gz	FFBNVOHNSOEDER-UHFFFAOYSA-N	1	0	366.487	1.450	20	30		FDEDRO
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@H+]2CCC[C@@H](CO)C2)CC1	ZINC000245919442	889330964	/nfs/dbraw/zinc/33/09/64/889330964.db2.gz	XKDJMAOGFXLASU-VQIMIIECSA-N	1	0	374.460	1.239	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)N[C@@H]1C[C@@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O	ZINC000923487725	889415377	/nfs/dbraw/zinc/41/53/77/889415377.db2.gz	HCXRCCFKCBKRFE-RXYDEIHYSA-N	1	0	351.491	1.194	20	30		FDEDRO
Cc1c(C#N)cccc1C(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1	ZINC000509420416	889553075	/nfs/dbraw/zinc/55/30/75/889553075.db2.gz	XGNNGFKMGGQJNC-LJQANCHMSA-N	1	0	370.497	1.734	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1C[C@H](C[C@@H]2COCC[NH2+]2)c2ccccc21	ZINC000923544323	889702550	/nfs/dbraw/zinc/70/25/50/889702550.db2.gz	KEDMXDSBBLTPGP-HRCADAONSA-N	1	0	372.469	1.369	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC1CCCCCCC1	ZINC001127608811	889727178	/nfs/dbraw/zinc/72/71/78/889727178.db2.gz	HZSSCADDPHNBBC-MSOLQXFVSA-N	1	0	365.518	1.903	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)N(C)C1CCCCC1	ZINC001127609190	889737657	/nfs/dbraw/zinc/73/76/57/889737657.db2.gz	OMAMOYMWWOZSBL-NXHRZFHOSA-N	1	0	365.518	1.853	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)CN(Cc2ccccc2)[C@@H]2C[NH2+]C[C@H]2O)cc1	ZINC000923559316	889793058	/nfs/dbraw/zinc/79/30/58/889793058.db2.gz	KPMMDTBHTDMRRQ-HMXCVIKNSA-N	1	0	367.449	1.133	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)Nc1cccc(F)c1	ZINC001127612899	889923132	/nfs/dbraw/zinc/92/31/32/889923132.db2.gz	GGNSUYSYTXVSLC-XKQJLSEDSA-N	1	0	363.433	1.840	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1CN(C(=O)Cn2cncc2C)C1	ZINC001006167669	889948126	/nfs/dbraw/zinc/94/81/26/889948126.db2.gz	VPOBHNKRRREPTC-ZVZYQTTQSA-N	1	0	360.458	1.136	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH]cn2)[C@@H](n2ccnn2)C1	ZINC001129284585	890037009	/nfs/dbraw/zinc/03/70/09/890037009.db2.gz	SYTHYHRZELFGEW-SJORKVTESA-N	1	0	359.478	1.556	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)CNC(=O)c2ccoc2)[C@H](OC)C1	ZINC001212313241	890047809	/nfs/dbraw/zinc/04/78/09/890047809.db2.gz	KENCEAJHDVGRNO-IAGOWNOFSA-N	1	0	365.474	1.795	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1	ZINC000939756847	891231465	/nfs/dbraw/zinc/23/14/65/891231465.db2.gz	KBQFOQCLHLYIOU-KSZLIROESA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](CCO[C@H]2CC2(F)F)CC1	ZINC001001852966	891457968	/nfs/dbraw/zinc/45/79/68/891457968.db2.gz	YLCTZLUFASPAON-PMPSAXMXSA-N	1	0	358.429	1.830	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(C#N)[nH]2)C3)CC[N@@H+]1C	ZINC001002090510	891912997	/nfs/dbraw/zinc/91/29/97/891912997.db2.gz	NHWRVYGKMVCJAI-PEZLKRJXSA-N	1	0	369.469	1.478	20	30		FDEDRO
C[NH+](C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c[nH]c(C#N)c2)C3)CCC1	ZINC001002143194	891983081	/nfs/dbraw/zinc/98/30/81/891983081.db2.gz	RDXXMZAUPGOZJQ-OAGGEKHMSA-N	1	0	355.442	1.232	20	30		FDEDRO
C=CCN(C)CCN(CC)S(=O)(=O)c1cc(F)ccc1C(=O)OC	ZINC001212445190	892064773	/nfs/dbraw/zinc/06/47/73/892064773.db2.gz	IQBRMDXZBAYQGL-UHFFFAOYSA-N	1	0	358.435	1.741	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001002199192	892215494	/nfs/dbraw/zinc/21/54/94/892215494.db2.gz	AJMNKIPMINQNAN-FJIDUMEYSA-N	1	0	363.502	1.273	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1	ZINC001002220088	892251986	/nfs/dbraw/zinc/25/19/86/892251986.db2.gz	VMMHFMRDTKOOEJ-SQNIBIBYSA-N	1	0	363.502	1.417	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1	ZINC000940311256	892256851	/nfs/dbraw/zinc/25/68/51/892256851.db2.gz	OVRGGZZHQHKCBC-CZUORRHYSA-N	1	0	357.458	1.195	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cncc(OC)n2)CC1	ZINC000940339977	892292135	/nfs/dbraw/zinc/29/21/35/892292135.db2.gz	MKEHWPAGOHGHKF-CVEARBPZSA-N	1	0	360.458	1.547	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CC2)[C@H](C)C1	ZINC001106921001	892576000	/nfs/dbraw/zinc/57/60/00/892576000.db2.gz	RMMQERMWIWYTPJ-OXQOHEQNSA-N	1	0	367.493	1.421	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2OCc3ccccc32)C[C@H]1C	ZINC001106930942	893021869	/nfs/dbraw/zinc/02/18/69/893021869.db2.gz	JFKWAZKXDWVXIJ-SZVBFZGTSA-N	1	0	369.465	1.082	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]CCOCCO)[C@H](C)C2)CCOCC1	ZINC001106933129	893034759	/nfs/dbraw/zinc/03/47/59/893034759.db2.gz	DVHHXWZGGGTZOZ-IAGOWNOFSA-N	1	0	354.491	1.052	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3cn(C)nn3)[C@H](C)C2)CCOCC1	ZINC001106931718	893069227	/nfs/dbraw/zinc/06/92/27/893069227.db2.gz	BGETXFQZQWNXLI-HZPDHXFCSA-N	1	0	361.490	1.372	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)C[C@H]1C	ZINC001106937632	893090290	/nfs/dbraw/zinc/09/02/90/893090290.db2.gz	ARVSBFSBOFDSRO-NVXWUHKLSA-N	1	0	363.506	1.321	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cn1	ZINC000940772451	893197623	/nfs/dbraw/zinc/19/76/23/893197623.db2.gz	UKJNMLDOFJUNGC-FGTMMUONSA-N	1	0	354.454	1.124	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CN(C)C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC001002557382	893212438	/nfs/dbraw/zinc/21/24/38/893212438.db2.gz	QQMRPQBQKASIAH-FGTMMUONSA-N	1	0	371.485	1.680	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)C[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1	ZINC001002557962	893214171	/nfs/dbraw/zinc/21/41/71/893214171.db2.gz	SHNNHUUHMRGXRQ-ATZDWAIDSA-N	1	0	368.481	1.466	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CN(C)Cc3ccccc32)CC1	ZINC000672355266	893215010	/nfs/dbraw/zinc/21/50/10/893215010.db2.gz	SPULAXDLLOWYCW-GOSISDBHSA-N	1	0	356.470	1.056	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)C[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)nc1	ZINC001002558577	893263636	/nfs/dbraw/zinc/26/36/36/893263636.db2.gz	VEGZQEHWQSHAJC-KBAYOESNSA-N	1	0	368.481	1.466	20	30		FDEDRO
O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1ccccc1	ZINC000940818256	893304665	/nfs/dbraw/zinc/30/46/65/893304665.db2.gz	CZGHDNOHVYOUAJ-VQTJNVASSA-N	1	0	365.477	1.606	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)C[N@H+](C)C1CCC1	ZINC001002622499	893433169	/nfs/dbraw/zinc/43/31/69/893433169.db2.gz	ZWYWUFCOPBRFCY-KSZLIROESA-N	1	0	363.502	1.511	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cn3ccccc3n2)C[C@H]1C	ZINC001106946307	893667458	/nfs/dbraw/zinc/66/74/58/893667458.db2.gz	RADKKQIITZMNJU-OWCLPIDISA-N	1	0	369.469	1.323	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4ccon4)[C@@H]3C2)cc1	ZINC001084238314	913805313	/nfs/dbraw/zinc/80/53/13/913805313.db2.gz	VZWFPZUCQZLSGI-VQIMIIECSA-N	1	0	366.421	1.852	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@H]2CCc3nnc(-c4ccccc4)n3C2)CC1	ZINC001127703132	893859706	/nfs/dbraw/zinc/85/97/06/893859706.db2.gz	VFRXYROYUQYLJR-INIZCTEOSA-N	1	0	364.453	1.612	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CCCN2C(=O)[C@]23C[C@H]2CCC3)CC1	ZINC001002797329	893967766	/nfs/dbraw/zinc/96/77/66/893967766.db2.gz	ZVDAOUDSLHQFLI-WOIUINJBSA-N	1	0	371.525	1.971	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCOc2ccccc2)C[C@H]1C	ZINC001106950496	894007623	/nfs/dbraw/zinc/00/76/23/894007623.db2.gz	LDIRNTRWYPCHAH-QZTJIDSGSA-N	1	0	371.481	1.279	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccccc2Cl)C[C@H]1C	ZINC001106953088	894442543	/nfs/dbraw/zinc/44/25/43/894442543.db2.gz	OWKXOYBPHZTFPM-GDBMZVCRSA-N	1	0	361.873	1.316	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000922024716	894512212	/nfs/dbraw/zinc/51/22/12/894512212.db2.gz	BIFPYPRQUHHMND-UHFFFAOYSA-N	1	0	367.427	1.322	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C	ZINC000922024825	894517712	/nfs/dbraw/zinc/51/77/12/894517712.db2.gz	SXCFUBNRDHGXPC-UHFFFAOYSA-N	1	0	369.418	1.760	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000922024990	894523384	/nfs/dbraw/zinc/52/33/84/894523384.db2.gz	WCRLMNBOSLEENJ-UHFFFAOYSA-N	1	0	353.394	1.555	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cnc(OC)c(Cl)c1	ZINC000922026272	894540360	/nfs/dbraw/zinc/54/03/60/894540360.db2.gz	SXLCNQSNFPXDJG-UHFFFAOYSA-N	1	0	357.863	1.462	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCCN(C(=O)[C@]34C[C@H]3CCC4)CC2)CC1	ZINC000941329263	894732729	/nfs/dbraw/zinc/73/27/29/894732729.db2.gz	PPEIRJNZPDIWBS-WIYYLYMNSA-N	1	0	357.498	1.583	20	30		FDEDRO
C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCO[C@H]3c3ccncc3)CC2)C1	ZINC000941413477	894939668	/nfs/dbraw/zinc/93/96/68/894939668.db2.gz	ZTXHHQGRDHPNOV-UXHICEINSA-N	1	0	370.497	1.564	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COc2c(C)cccc2C)C[C@H]1C	ZINC001106957360	894989438	/nfs/dbraw/zinc/98/94/38/894989438.db2.gz	ASZFYUOHWVVQGD-QZTJIDSGSA-N	1	0	371.481	1.116	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H](OC)C2)C1	ZINC000941918363	895996533	/nfs/dbraw/zinc/99/65/33/895996533.db2.gz	KCUGPUBVWXMKCH-BRWVUGGUSA-N	1	0	361.486	1.027	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](C[C@@H](Cc2ccccc2)OC)C1	ZINC001031988231	896171241	/nfs/dbraw/zinc/17/12/41/896171241.db2.gz	QLIXNSCALVRFOY-AQNXPRMDSA-N	1	0	358.482	1.883	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3ccncc3)nn2)C1	ZINC000999987479	896520789	/nfs/dbraw/zinc/52/07/89/896520789.db2.gz	OICCRCNCYODYLV-CEXWTWQISA-N	1	0	364.453	1.363	20	30		FDEDRO
Cc1n[nH]c(C)c1[C@@H](C)C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O	ZINC001077851849	896592669	/nfs/dbraw/zinc/59/26/69/896592669.db2.gz	ITVDNRCWHXECLF-NXOUGTEYSA-N	1	0	367.453	1.363	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC2(CCOCC2)C1	ZINC001089947851	896814878	/nfs/dbraw/zinc/81/48/78/896814878.db2.gz	QCXDHQQTUOLLOW-XLAORIBOSA-N	1	0	364.486	1.211	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC2(CCOCC2)C1	ZINC001089947899	896816735	/nfs/dbraw/zinc/81/67/35/896816735.db2.gz	RERCSVAXVNPXBZ-CADBVGFASA-N	1	0	360.498	1.812	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccccc2C)C[C@H]1C	ZINC001106969273	896885983	/nfs/dbraw/zinc/88/59/83/896885983.db2.gz	SPASXXFAZFAYON-ZHALLVOQSA-N	1	0	357.498	1.912	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C	ZINC001212428364	896911365	/nfs/dbraw/zinc/91/13/65/896911365.db2.gz	YGBJZNHCTDXGHG-VAMGGRTRSA-N	1	0	370.497	1.748	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)CC1	ZINC000921694101	896917207	/nfs/dbraw/zinc/91/72/07/896917207.db2.gz	JNKRJWSHOOBBMP-LJQANCHMSA-N	1	0	368.481	1.574	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)CC1	ZINC000921694099	896917560	/nfs/dbraw/zinc/91/75/60/896917560.db2.gz	JNKRJWSHOOBBMP-IBGZPJMESA-N	1	0	368.481	1.574	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1	ZINC000942437215	897028866	/nfs/dbraw/zinc/02/88/66/897028866.db2.gz	NTXNNICKZZYODD-ZACQAIPSSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)CCNC(=O)c2ccsc2)[C@H](OC)C1	ZINC001212430544	897031705	/nfs/dbraw/zinc/03/17/05/897031705.db2.gz	QSRVPDHXEITELW-HZPDHXFCSA-N	1	0	365.499	1.650	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3ccco3)C2)CC1	ZINC000942490229	897179620	/nfs/dbraw/zinc/17/96/20/897179620.db2.gz	FOAWRJIDMDVOIE-KZNAEPCWSA-N	1	0	369.465	1.445	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(=O)n(CCC)n2)C[C@H]1C	ZINC001106970584	897187987	/nfs/dbraw/zinc/18/79/87/897187987.db2.gz	IYVAXEVBUIZNQW-HZPDHXFCSA-N	1	0	362.474	1.154	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2ccc(CC)cc2)C[C@H]1C	ZINC001106974880	897267018	/nfs/dbraw/zinc/26/70/18/897267018.db2.gz	YPPBAMITVFQFOK-YLJYHZDGSA-N	1	0	369.509	1.615	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@@H]1CN(Cc2ccc(F)cc2)C[C@H]1O	ZINC001077977813	897282461	/nfs/dbraw/zinc/28/24/61/897282461.db2.gz	QJIDXNKKOXFSEA-IAGOWNOFSA-N	1	0	371.412	1.761	20	30		FDEDRO
C=CCC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@H]3OCC[C@H]3C)C2)n1	ZINC001128119758	897320387	/nfs/dbraw/zinc/32/03/87/897320387.db2.gz	ZIBFFQOPBDXSEW-SUMDDJOVSA-N	1	0	358.486	1.867	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3cnccc32)C[C@H]1C	ZINC001106983946	897518091	/nfs/dbraw/zinc/51/80/91/897518091.db2.gz	QJBKBTNRGQMWNI-NVXWUHKLSA-N	1	0	364.449	1.282	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000942811086	897825113	/nfs/dbraw/zinc/82/51/13/897825113.db2.gz	JDQKOWMBQAPUKK-FGTMMUONSA-N	1	0	371.485	1.680	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCCC2=CCN(c3ccc(C#N)nc3)CC2)CC[N@@H+]1C	ZINC001089870152	897859308	/nfs/dbraw/zinc/85/93/08/897859308.db2.gz	LESLRPSYGDDGQB-DNVCBOLYSA-N	1	0	353.470	1.936	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1O	ZINC001078082854	897911853	/nfs/dbraw/zinc/91/18/53/897911853.db2.gz	XCYQLRDMSQBAKK-ZTFGCOKTSA-N	1	0	362.420	1.807	20	30		FDEDRO
COC(=O)[C@]12C[N@@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C[C@H]1COCC2	ZINC000369548424	897949849	/nfs/dbraw/zinc/94/98/49/897949849.db2.gz	FMTUFRIXCBEJJF-XAUMDUMWSA-N	1	0	369.421	1.175	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)C[C@H]21	ZINC001084372465	914239259	/nfs/dbraw/zinc/23/92/59/914239259.db2.gz	VWFFBAQDJMYLNJ-ZIAGYGMSSA-N	1	0	367.877	1.447	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](OC)C1	ZINC000943069236	898322074	/nfs/dbraw/zinc/32/20/74/898322074.db2.gz	MEOGXGAHEZJNRR-MBOZVWFJSA-N	1	0	370.453	1.892	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCN(C(=O)CCC)CC2)C1	ZINC001078219751	898397855	/nfs/dbraw/zinc/39/78/55/898397855.db2.gz	LXKMPXPBOSEUJI-IAGOWNOFSA-N	1	0	351.491	1.153	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(=O)CCC)C2)C1	ZINC001078222805	898475436	/nfs/dbraw/zinc/47/54/36/898475436.db2.gz	RACNPDDDCUZRAB-BRWVUGGUSA-N	1	0	351.491	1.153	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1	ZINC000943383103	898768240	/nfs/dbraw/zinc/76/82/40/898768240.db2.gz	AXAOHWWDFWDHBW-BBWFWOEESA-N	1	0	361.486	1.171	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cnc(C)cn2)C1	ZINC001078474088	898809012	/nfs/dbraw/zinc/80/90/12/898809012.db2.gz	SYJWMIFCBROUBJ-KSZLIROESA-N	1	0	360.458	1.083	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)C#CC(C)(C)C)C3)CC2)CC[N@@H+]1C	ZINC001061007173	899014182	/nfs/dbraw/zinc/01/41/82/899014182.db2.gz	SCJOIZBVUWWLMB-IAGOWNOFSA-N	1	0	359.514	1.827	20	30		FDEDRO
CCc1nc(C#N)cc(NC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001061014602	899062493	/nfs/dbraw/zinc/06/24/93/899062493.db2.gz	QLHRCHCXNDTCGO-IIAWOOMASA-N	1	0	356.474	1.511	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCCN(C)C1=O	ZINC001107017097	899553654	/nfs/dbraw/zinc/55/36/54/899553654.db2.gz	OTEZFKGPXUDZCI-RLLQIKCJSA-N	1	0	367.493	1.733	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](F)Cc2ccccc2)C[C@H]1C	ZINC001107020955	899598825	/nfs/dbraw/zinc/59/88/25/899598825.db2.gz	WPMJUCWWQBZFMM-KBAYOESNSA-N	1	0	359.445	1.001	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)COc2cccc(C(N)=O)c2)C[C@H]1C	ZINC001107029652	899642024	/nfs/dbraw/zinc/64/20/24/899642024.db2.gz	XPRVJIOCMVVGJK-NVXWUHKLSA-N	1	0	359.470	1.815	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C	ZINC000944080597	899822948	/nfs/dbraw/zinc/82/29/48/899822948.db2.gz	YQPGDZOLXAHDKA-BDXSIMOUSA-N	1	0	365.518	1.661	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C	ZINC000944210341	899988503	/nfs/dbraw/zinc/98/85/03/899988503.db2.gz	MQLLYEZBYKYHDS-BDXSIMOUSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC[C@H](C)F)[C@H](C)C1	ZINC001107035848	899995036	/nfs/dbraw/zinc/99/50/36/899995036.db2.gz	BCAPTNVSMUPUCW-QLFBSQMISA-N	1	0	356.486	1.682	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C[NH2+]CCC(=C)C)[C@H](C)C1	ZINC001107036850	900033430	/nfs/dbraw/zinc/03/34/30/900033430.db2.gz	SHGRPCRQIMBSNT-HZPDHXFCSA-N	1	0	350.507	1.901	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)n2C2CC2)[C@H](C)C1	ZINC001107058911	900298995	/nfs/dbraw/zinc/29/89/95/900298995.db2.gz	HNARKVOUAOOUFH-GDBMZVCRSA-N	1	0	361.490	1.698	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]Cc2nc(CCOC)no2)[C@H](C)C1	ZINC001107058959	900303985	/nfs/dbraw/zinc/30/39/85/900303985.db2.gz	KAZCTAASXHXOHZ-HUUCEWRRSA-N	1	0	366.462	1.035	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NCC(C)C)[C@H](C)C1	ZINC001107062279	900442133	/nfs/dbraw/zinc/44/21/33/900442133.db2.gz	GTZYYYYKOFJHCH-BRWVUGGUSA-N	1	0	353.507	1.424	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C(C)(C)C)[C@H](C)C1	ZINC001107062181	900442402	/nfs/dbraw/zinc/44/24/02/900442402.db2.gz	BUDJPBBIZNPKPJ-RBSFLKMASA-N	1	0	364.494	1.203	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2ccco2)[C@H](C)C1	ZINC001107063179	900448061	/nfs/dbraw/zinc/44/80/61/900448061.db2.gz	FCTDHFGOKXXDAH-OWCLPIDISA-N	1	0	363.458	1.171	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]Cc2nnc(CC)s2)[C@H](C)C1	ZINC001107063201	900449153	/nfs/dbraw/zinc/44/91/53/900449153.db2.gz	GDIIJRLZXSHRIV-ZIAGYGMSSA-N	1	0	352.504	1.877	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)[C@H](C)C1	ZINC001107063526	900449305	/nfs/dbraw/zinc/44/93/05/900449305.db2.gz	RFYSUOYXCLFNDX-BRWVUGGUSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nc(C3CC3)nn2C)[C@H](C)C1	ZINC001107063339	900449398	/nfs/dbraw/zinc/44/93/98/900449398.db2.gz	LLNOOXHTEFGRPQ-IIAWOOMASA-N	1	0	361.490	1.468	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001107077902	900563614	/nfs/dbraw/zinc/56/36/14/900563614.db2.gz	RPAVUONJDFPZBB-SJLPKXTDSA-N	1	0	354.429	1.758	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CCOCC2)C3)CC1	ZINC000995596326	900681886	/nfs/dbraw/zinc/68/18/86/900681886.db2.gz	JTYHYTBHVNOPBK-QYZOEREBSA-N	1	0	373.497	1.006	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1(CNC(=O)[C@H]2CCCC[N@H+]2C)CCC1	ZINC001063559003	900986836	/nfs/dbraw/zinc/98/68/36/900986836.db2.gz	YZMAGEADWZZFNM-ZACQAIPSSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)C2([NH+](C)C)CCC2)C1	ZINC001006184317	900993018	/nfs/dbraw/zinc/99/30/18/900993018.db2.gz	KAQGRYFDMNRTAS-OIISXLGYSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)CCc2cn(C)nc2C)[C@@H](n2ccnn2)C1	ZINC001129307874	901102469	/nfs/dbraw/zinc/10/24/69/901102469.db2.gz	RCCAUYNQEZPYJI-MSOLQXFVSA-N	1	0	371.489	1.261	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1	ZINC001063721372	901104432	/nfs/dbraw/zinc/10/44/32/901104432.db2.gz	LNWHZMDVHGXSFP-BBWFWOEESA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NC(=O)[C@H](CC)[NH+](CC)CC)CCC1	ZINC001064584502	901436639	/nfs/dbraw/zinc/43/66/39/901436639.db2.gz	PVVIIEDEFXYAJK-IKGGRYGDSA-N	1	0	365.518	1.853	20	30		FDEDRO
CC[C@H](C(=O)N1CC[C@H]2CN(c3cncc(C#N)n3)C[C@H]21)[NH+](CC)CC	ZINC001090355443	901826107	/nfs/dbraw/zinc/82/61/07/901826107.db2.gz	LOYKGAWVLUDPBB-USXIJHARSA-N	1	0	356.474	1.506	20	30		FDEDRO
CC[C@@H](C(=O)N1CC[C@H]2CN(c3nccnc3C#N)C[C@H]21)[NH+](CC)CC	ZINC001090355570	901826459	/nfs/dbraw/zinc/82/64/59/901826459.db2.gz	LVWBZQXWQOUYGV-BHYGNILZSA-N	1	0	356.474	1.506	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccc(=O)[nH]n2)C1	ZINC001079125961	901925636	/nfs/dbraw/zinc/92/56/36/901925636.db2.gz	LQMKNXJPBQFYKP-QZTJIDSGSA-N	1	0	368.437	1.446	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnn(C)c2C)C1	ZINC001079126140	901926897	/nfs/dbraw/zinc/92/68/97/901926897.db2.gz	VXISIMXFSHORAP-WOJBJXKFSA-N	1	0	368.481	1.992	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cc(C)n[nH]2)C1	ZINC001079129938	901937906	/nfs/dbraw/zinc/93/79/06/901937906.db2.gz	OXMVETWTYPENRL-RTBURBONSA-N	1	0	354.454	1.982	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](CCCCCNC(=O)CC)CC1	ZINC001079151842	901985953	/nfs/dbraw/zinc/98/59/53/901985953.db2.gz	LKLFOMFYTWHNBS-SJORKVTESA-N	1	0	351.491	1.418	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2coc(OC)n2)C1	ZINC001079139154	902022673	/nfs/dbraw/zinc/02/26/73/902022673.db2.gz	BRCQRCXNMGWXBQ-QZTJIDSGSA-N	1	0	369.421	1.394	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccnnc2C)C1	ZINC001079139388	902023831	/nfs/dbraw/zinc/02/38/31/902023831.db2.gz	QTWDUUXPVHGESA-WOJBJXKFSA-N	1	0	364.449	1.496	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1c1cccc(F)c1	ZINC001079171130	902047507	/nfs/dbraw/zinc/04/75/07/902047507.db2.gz	SZFWCRAZABNVLH-LSDHHAIUSA-N	1	0	364.812	1.149	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)CC[C@H]1c1ccc(F)cc1	ZINC001079154563	902068578	/nfs/dbraw/zinc/06/85/78/902068578.db2.gz	KHZZOFADTBNQGD-RCCFBDPRSA-N	1	0	357.429	1.402	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)CC[C@H]1c1ccc(F)cc1	ZINC001079154567	902068895	/nfs/dbraw/zinc/06/88/95/902068895.db2.gz	KNWXVNQFQILRHV-BPQIPLTHSA-N	1	0	359.445	1.812	20	30		FDEDRO
C[NH+]1CCC(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](NCC#N)C2)CC1	ZINC001079157819	902077675	/nfs/dbraw/zinc/07/76/75/902077675.db2.gz	CSXIUAYNVGPJNM-RBUKOAKNSA-N	1	0	358.461	1.965	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)CC[C@H]1c1ccc(F)cc1	ZINC001079160535	902083682	/nfs/dbraw/zinc/08/36/82/902083682.db2.gz	ZGQRHDVJRMEKOQ-FUHWJXTLSA-N	1	0	368.412	1.474	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)CC[C@H]1c1ccc(F)cc1	ZINC001079162711	902089784	/nfs/dbraw/zinc/08/97/84/902089784.db2.gz	XTILPPQOAPWIIE-FUHWJXTLSA-N	1	0	368.412	1.474	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1c1cccc(F)c1	ZINC001079181572	902122392	/nfs/dbraw/zinc/12/23/92/902122392.db2.gz	WDMYYMBKLIOISF-ZWKOTPCHSA-N	1	0	357.433	1.968	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc3n[nH]nc32)C[C@H]1c1cccc(F)c1	ZINC001079183595	902125517	/nfs/dbraw/zinc/12/55/17/902125517.db2.gz	KPRFWVPDCMMDGX-FUHWJXTLSA-N	1	0	363.396	1.928	20	30		FDEDRO
Cn1nncc1C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1cccc(F)c1	ZINC001079183702	902126748	/nfs/dbraw/zinc/12/67/48/902126748.db2.gz	PEFVIBGXAQWBCU-RBUKOAKNSA-N	1	0	367.428	1.452	20	30		FDEDRO
N#CCN[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1c1cccc(F)c1	ZINC001079183833	902127214	/nfs/dbraw/zinc/12/72/14/902127214.db2.gz	WOPCYJVYQQLOIP-IPMKNSEASA-N	1	0	356.445	1.575	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@H]1c1cccc(F)c1	ZINC001079187464	902133746	/nfs/dbraw/zinc/13/37/46/902133746.db2.gz	HZTICYLGOKKROZ-DOTOQJQBSA-N	1	0	356.401	1.303	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCN(C)C2=O)C[C@H]1c1cccc(F)c1	ZINC001079188765	902138536	/nfs/dbraw/zinc/13/85/36/902138536.db2.gz	PQIAEWUZHAYDOX-BPQIPLTHSA-N	1	0	357.429	1.211	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCNC(=O)CC2)C[C@H]1c1cccc(F)c1	ZINC001079192336	902149209	/nfs/dbraw/zinc/14/92/09/902149209.db2.gz	BDKNWGDUCJXOGK-FHLIZLRMSA-N	1	0	359.445	1.812	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2C)C[C@H]1c1cccc(F)c1	ZINC001079193721	902152884	/nfs/dbraw/zinc/15/28/84/902152884.db2.gz	ROTVXPILWIGHBU-FGTMMUONSA-N	1	0	357.429	1.354	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@H]1c1cccc(F)c1	ZINC001079196600	902160618	/nfs/dbraw/zinc/16/06/18/902160618.db2.gz	XOUIHKDFIGUBJE-ZWKOTPCHSA-N	1	0	356.401	1.155	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CN(C(=O)Cc3cc[nH]n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079231440	902165661	/nfs/dbraw/zinc/16/56/61/902165661.db2.gz	KYDWMJAWSJGRCM-ZWKOTPCHSA-N	1	0	358.486	1.858	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3nn(C)cc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079241476	902193480	/nfs/dbraw/zinc/19/34/80/902193480.db2.gz	ZJAUICFUDCHYIA-DLBZAZTESA-N	1	0	358.486	1.858	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cc(CC)n[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079223733	902227512	/nfs/dbraw/zinc/22/75/12/902227512.db2.gz	IPGXAUAPJKNFPZ-FUHWJXTLSA-N	1	0	356.470	1.548	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3ccc(F)nc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079228397	902242181	/nfs/dbraw/zinc/24/21/81/902242181.db2.gz	KHSIBNUNGGEQQC-DLBZAZTESA-N	1	0	357.429	1.797	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)Cc3cc(C)on3)[C@@H]3COC[C@@H]32)CC1	ZINC001079229918	902248179	/nfs/dbraw/zinc/24/81/79/902248179.db2.gz	OPKRJTNUHIWBOY-ZWKOTPCHSA-N	1	0	357.454	1.488	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)Cc3cnn(C)c3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079244705	902249726	/nfs/dbraw/zinc/24/97/26/902249726.db2.gz	ASIBMLOZYGVXNU-ZWKOTPCHSA-N	1	0	358.486	1.396	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCc4nccn43)[C@@H]3COC[C@@H]32)CC1	ZINC001079245597	902253511	/nfs/dbraw/zinc/25/35/11/902253511.db2.gz	BHPKKGAPWNPQFY-OKZBNKHCSA-N	1	0	368.481	1.333	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3cnn4c3CCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079245113	902254318	/nfs/dbraw/zinc/25/43/18/902254318.db2.gz	XPRZNKJNUOCVPB-PKOBYXMFSA-N	1	0	370.497	1.958	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ncc(F)cc3F)[C@@H]3COC[C@@H]32)CC1	ZINC001079248092	902262937	/nfs/dbraw/zinc/26/29/37/902262937.db2.gz	HRIGBLBBTPMUCK-GOEBONIOSA-N	1	0	361.392	1.546	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ccc4[nH]ccc4n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079251350	902272450	/nfs/dbraw/zinc/27/24/50/902272450.db2.gz	SEBLOSLTZLZQQB-HNAYVOBHSA-N	1	0	364.449	1.749	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCc4nn[nH]c43)[C@@H]3COC[C@@H]32)CC1	ZINC001079256938	902286811	/nfs/dbraw/zinc/28/68/11/902286811.db2.gz	NDBVFJRCHXPRJN-HLLBOEOZSA-N	1	0	371.485	1.350	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079260580	902297723	/nfs/dbraw/zinc/29/77/23/902297723.db2.gz	COHDNRPLNYDZHB-LTIDMASMSA-N	1	0	361.486	1.013	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)Cn3ccc(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079260958	902300212	/nfs/dbraw/zinc/30/02/12/902300212.db2.gz	XXNIHLVCRKBPCW-ZWKOTPCHSA-N	1	0	356.470	1.154	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc(C)nn3CC)[C@@H]3COC[C@@H]32)CC1	ZINC001079262801	902302677	/nfs/dbraw/zinc/30/26/77/902302677.db2.gz	BJDFXNUKLSBGHJ-FUHWJXTLSA-N	1	0	356.470	1.398	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)Cn3ccnc3C(C)C)[C@@H]3COC[C@@H]32)CC1	ZINC001079264092	902309592	/nfs/dbraw/zinc/30/95/92/902309592.db2.gz	YYGRAYBPNWHMLD-ZWKOTPCHSA-N	1	0	370.497	1.579	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@H](C)c3c(C)noc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079266834	902315024	/nfs/dbraw/zinc/31/50/24/902315024.db2.gz	LYAKMDZIMIGOKU-FHLIZLRMSA-N	1	0	371.481	1.968	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3ncccc3F)[C@@H]3COC[C@@H]32)CC1	ZINC001079268170	902319790	/nfs/dbraw/zinc/31/97/90/902319790.db2.gz	RCHVQCCGSGFXRC-DOTOQJQBSA-N	1	0	357.429	1.797	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@H](C)Cn3ccc(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079242549	902339274	/nfs/dbraw/zinc/33/92/74/902339274.db2.gz	ZTKDYFCZZOHCLJ-NZSAHSFTSA-N	1	0	370.497	1.400	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cnccc2OC)C[C@H]1c1ccccc1F	ZINC001079299306	902343143	/nfs/dbraw/zinc/34/31/43/902343143.db2.gz	IULXNFUQMAZYOZ-PKOBYXMFSA-N	1	0	367.424	1.989	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2nc(C)c(C)[nH]c2=O)C[C@H]1c1ccccc1F	ZINC001079299291	902343472	/nfs/dbraw/zinc/34/34/72/902343472.db2.gz	IDJNFFLKEXTWEG-DOTOQJQBSA-N	1	0	370.428	1.910	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(CN(C)C)on2)C[C@H]1c1ccccc1F	ZINC001079300574	902346792	/nfs/dbraw/zinc/34/67/92/902346792.db2.gz	OSVANWGIOQXBRL-QFBILLFUSA-N	1	0	370.428	1.706	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1c1ccccc1F	ZINC001079304082	902361005	/nfs/dbraw/zinc/36/10/05/902361005.db2.gz	QOAZXCMCMVYYIC-FUHWJXTLSA-N	1	0	354.429	1.709	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2cnn(C)c2)C[C@H]1c1ccccc1F	ZINC001079317816	902416048	/nfs/dbraw/zinc/41/60/48/902416048.db2.gz	PVZIWZYBFHRHGV-ZAAXVRCTSA-N	1	0	368.456	1.955	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN(C)C2=O)C[C@H]1c1ccccc1F	ZINC001079318750	902419348	/nfs/dbraw/zinc/41/93/48/902419348.db2.gz	WAOTYIHKXUEISJ-JENIJYKNSA-N	1	0	371.456	1.601	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccc(=O)n2C)C[C@H]1c1ccccc1F	ZINC001079311128	902446269	/nfs/dbraw/zinc/44/62/69/902446269.db2.gz	QGTNNCMXULBROV-DOTOQJQBSA-N	1	0	355.413	1.908	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C3)nc1	ZINC000995912621	902683956	/nfs/dbraw/zinc/68/39/56/902683956.db2.gz	GOJNFXDBCQUWKF-LAVFITLUSA-N	1	0	352.438	1.019	20	30		FDEDRO
C[C@@H]1C[N@@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC001079590104	902869795	/nfs/dbraw/zinc/86/97/95/902869795.db2.gz	WCYAVIKTUMQZMK-WQVCFCJDSA-N	1	0	357.458	1.336	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C#N)[nH]1)C2	ZINC000996093813	903069591	/nfs/dbraw/zinc/06/95/91/903069591.db2.gz	SMZAQFMCLCSMGT-LMSBXDPUSA-N	1	0	369.469	1.622	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1cnc(N(C)C)cn1	ZINC001079695571	903073179	/nfs/dbraw/zinc/07/31/79/903073179.db2.gz	CXGMQAMRGFJNQT-RDTXWAMCSA-N	1	0	364.453	1.665	20	30		FDEDRO
C[C@@H]1CN(Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001079710495	903120326	/nfs/dbraw/zinc/12/03/26/903120326.db2.gz	KKHRAZWOSBKTPR-VOBQZIQPSA-N	1	0	370.472	1.976	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@H](F)C[NH+](CC)CC)C1	ZINC001079884654	903591709	/nfs/dbraw/zinc/59/17/09/903591709.db2.gz	VFWQTSOXKSXWEJ-ZACQAIPSSA-N	1	0	369.481	1.317	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(C#N)c2)CC1	ZINC000996385398	903824508	/nfs/dbraw/zinc/82/45/08/903824508.db2.gz	JESGVFGVOFRAHQ-SQNIBIBYSA-N	1	0	369.469	1.480	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2cnnn2CC)C(C)(C)C1	ZINC000996404245	903865535	/nfs/dbraw/zinc/86/55/35/903865535.db2.gz	CQXPMYSSMDOTOH-ULQDDVLXSA-N	1	0	361.490	1.606	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)OCCCC)CCC[C@@H]12	ZINC001107317774	904440838	/nfs/dbraw/zinc/44/08/38/904440838.db2.gz	ATCPLCLDDSOJPJ-SQGPQFPESA-N	1	0	363.502	1.302	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(C)C)CC2	ZINC001107317788	904441619	/nfs/dbraw/zinc/44/16/19/904441619.db2.gz	AZTSGFUICLVBBL-MBOZVWFJSA-N	1	0	365.518	1.853	20	30		FDEDRO
CCCCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C#N)c[nH]3)CCC[C@@H]12	ZINC001107349749	904552261	/nfs/dbraw/zinc/55/22/61/904552261.db2.gz	PRXZTGGCJDOBMV-YLJYHZDGSA-N	1	0	371.485	1.777	20	30		FDEDRO
C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccn1)CC2	ZINC001107366514	904572652	/nfs/dbraw/zinc/57/26/52/904572652.db2.gz	HXLITEYZIIDQNT-YLJYHZDGSA-N	1	0	354.454	1.082	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCOCC3)CCC[C@@H]12	ZINC001107377492	904616332	/nfs/dbraw/zinc/61/63/32/904616332.db2.gz	PHTUXNPHLPCFDS-MBOZVWFJSA-N	1	0	363.502	1.466	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCCC)CC2	ZINC001107379022	904624397	/nfs/dbraw/zinc/62/43/97/904624397.db2.gz	WUIVYUWIGWPMLU-ATZDWAIDSA-N	1	0	351.491	1.201	20	30		FDEDRO
CS[C@H](C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107370419	904633050	/nfs/dbraw/zinc/63/30/50/904633050.db2.gz	QGGNUJHVVIUMIX-CKEIUWERSA-N	1	0	352.504	1.129	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CC3(OC)CCC3)CCC[C@@H]12	ZINC001107385897	904668896	/nfs/dbraw/zinc/66/88/96/904668896.db2.gz	ASKOYFWVYFQYLS-VQIMIIECSA-N	1	0	363.502	1.609	20	30		FDEDRO
CC1(CC(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)CCCC1	ZINC001107392849	904691960	/nfs/dbraw/zinc/69/19/60/904691960.db2.gz	VUAUZHULSHIZNR-OXQOHEQNSA-N	1	0	360.502	1.957	20	30		FDEDRO
O=C(C#CC1CC1)NC[C@]12CCC[C@H]1[N@H+](C[C@H]1CCS(=O)(=O)C1)CC2	ZINC001107399675	904729787	/nfs/dbraw/zinc/72/97/87/904729787.db2.gz	DFENJYBQTRGXPD-ZHALLVOQSA-N	1	0	364.511	1.195	20	30		FDEDRO
O=C(C#CC1CC1)NC[C@]12CCC[C@H]1[N@H+](CCCO[C@@H]1CCOC1)CC2	ZINC001107399826	904731172	/nfs/dbraw/zinc/73/11/72/904731172.db2.gz	LNTNSMAMOHIVBF-SFHLNBCPSA-N	1	0	360.498	1.956	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)COc3c(C)nn(C)c3C)CCC[C@@H]12	ZINC001107407817	904762893	/nfs/dbraw/zinc/76/28/93/904762893.db2.gz	HAIUFKUVGSALBE-YLJYHZDGSA-N	1	0	358.486	1.800	20	30		FDEDRO
C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC(C)C)CC2	ZINC001107401597	904779670	/nfs/dbraw/zinc/77/96/70/904779670.db2.gz	VSCLRTTUMMDFNA-YLJYHZDGSA-N	1	0	363.502	1.159	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000764481829	904811863	/nfs/dbraw/zinc/81/18/63/904811863.db2.gz	YYEXUPIZOMVAEF-UXPWSPDFSA-N	1	0	370.497	1.730	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)NS(=O)(=O)CC)CCC[C@@H]12	ZINC001107413643	904817377	/nfs/dbraw/zinc/81/73/77/904817377.db2.gz	JOYBVITVOGWXDE-BFYDXBDKSA-N	1	0	357.520	1.251	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)CCc3ccn(C)n3)CCC[C@@H]12	ZINC001107425792	904842074	/nfs/dbraw/zinc/84/20/74/904842074.db2.gz	QKTGHIUBZWDNPH-UYAOXDASSA-N	1	0	360.502	1.916	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCn3c(C)csc3=O)CCC[C@@H]12	ZINC001107436401	904902062	/nfs/dbraw/zinc/90/20/62/904902062.db2.gz	YKHGVVBDROWUKO-VQIMIIECSA-N	1	0	361.511	1.992	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4n[nH]nc4c3)CCC[C@@H]12	ZINC001107439298	904919190	/nfs/dbraw/zinc/91/91/90/904919190.db2.gz	VBYDIJHLQMNLCW-VQIMIIECSA-N	1	0	370.457	1.530	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)COc3cc(C)on3)CCC[C@@H]12	ZINC001107442940	904940535	/nfs/dbraw/zinc/94/05/35/904940535.db2.gz	SLORNWCLVBRMEK-VQIMIIECSA-N	1	0	363.458	1.925	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@]3(C)CCNC(=O)C3)CCC[C@@H]12	ZINC001107451215	904986881	/nfs/dbraw/zinc/98/68/81/904986881.db2.gz	RJFHKJDRSWQIIV-NSISKUIASA-N	1	0	363.502	1.466	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCC(C)(F)F)CCC[C@@H]12	ZINC001107453509	904995680	/nfs/dbraw/zinc/99/56/80/904995680.db2.gz	OSUWQEYIZKNGDQ-RDTXWAMCSA-N	1	0	355.429	1.532	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CN3CCN(C)C(=O)C3)CCC[C@@H]12	ZINC001107457637	905027186	/nfs/dbraw/zinc/02/71/86/905027186.db2.gz	GUCOAAXYVKPEJD-YLJYHZDGSA-N	1	0	362.518	1.087	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3cccnc3)CCC[C@@H]12	ZINC001107464963	905030107	/nfs/dbraw/zinc/03/01/07/905030107.db2.gz	BHIRYMOVPZQPEM-WIYYLYMNSA-N	1	0	370.497	1.677	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CN2CCCCCCC2=O)[C@H](OC)C1	ZINC001081767968	905055319	/nfs/dbraw/zinc/05/53/19/905055319.db2.gz	HJUNNHMPJQVPAA-IAGOWNOFSA-N	1	0	351.491	1.561	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C)c(C)n3)CCC[C@@H]12	ZINC001107470357	905092142	/nfs/dbraw/zinc/09/21/42/905092142.db2.gz	ODAVLLKCEYNVKD-WIYYLYMNSA-N	1	0	370.497	1.975	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@]1(C)CCC(=O)NC1	ZINC001080304262	905103967	/nfs/dbraw/zinc/10/39/67/905103967.db2.gz	CUAAPAFTFPTNPB-ZTQAJYAQSA-N	1	0	354.454	1.411	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)CN3CCCCS3(=O)=O)CCC[C@@H]12	ZINC001107473457	905125366	/nfs/dbraw/zinc/12/53/66/905125366.db2.gz	WKYJEZQPZRERQZ-SJLPKXTDSA-N	1	0	369.531	1.349	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)CC(F)F)CCC[C@@H]12	ZINC001107478034	905149017	/nfs/dbraw/zinc/14/90/17/905149017.db2.gz	BQNDUNDMNKAEDY-PMUMKWKESA-N	1	0	357.445	1.941	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@H]1CCC(=O)N1C	ZINC001080314700	905193328	/nfs/dbraw/zinc/19/33/28/905193328.db2.gz	OTKFKVAJADJUEI-ZTFGCOKTSA-N	1	0	370.453	1.146	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCNS(C)(=O)=O)CC2	ZINC001107496629	905200581	/nfs/dbraw/zinc/20/05/81/905200581.db2.gz	HCHLSGAHPYQJAA-CRAIPNDOSA-N	1	0	371.547	1.499	20	30		FDEDRO
C#CCCCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#C)CC2	ZINC001107500804	905242072	/nfs/dbraw/zinc/24/20/72/905242072.db2.gz	TVTWADLKBGAPDM-WIYYLYMNSA-N	1	0	357.498	1.680	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccccc3CC)CCC[C@@H]12	ZINC001107522425	905299102	/nfs/dbraw/zinc/29/91/02/905299102.db2.gz	AGQSAAUFIVTZCF-DENIHFKCSA-N	1	0	367.493	1.973	20	30		FDEDRO
CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1	ZINC001080415747	905386358	/nfs/dbraw/zinc/38/63/58/905386358.db2.gz	CMDFVLLXMSRZNS-LZQZEXGQSA-N	1	0	368.481	1.551	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cnc3cc(OC)ccn32)[C@H](OC)C1	ZINC001081944675	905410421	/nfs/dbraw/zinc/41/04/21/905410421.db2.gz	DBCACWWAPJMUKX-NVXWUHKLSA-N	1	0	358.442	1.738	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)Cn3nnc4c3CCCC4)CCC[C@@H]12	ZINC001107551045	905507557	/nfs/dbraw/zinc/50/75/57/905507557.db2.gz	TZZVXAFQOLUHFN-UYAOXDASSA-N	1	0	355.486	1.541	20	30		FDEDRO
CC#CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3CCO[C@H]3CC)CC2)CC1	ZINC000996788628	905525024	/nfs/dbraw/zinc/52/50/24/905525024.db2.gz	ZYBRIRNDULINMJ-TUNPWDSISA-N	1	0	361.530	1.870	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3CC(C)C)CCC[C@@H]12	ZINC001107554026	905566996	/nfs/dbraw/zinc/56/69/96/905566996.db2.gz	VJGYJRIUGMXNAY-NEYJZJCJSA-N	1	0	359.514	1.779	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)Cc1c[nH]cn1	ZINC001080518442	905573522	/nfs/dbraw/zinc/57/35/22/905573522.db2.gz	UQROKDRRPWCYJO-RDTXWAMCSA-N	1	0	353.426	1.491	20	30		FDEDRO
Cc1ccn(CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2C)c(=O)c1	ZINC001080535876	905637598	/nfs/dbraw/zinc/63/75/98/905637598.db2.gz	JUIKHNVQQYJZED-VQIMIIECSA-N	1	0	364.449	1.665	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](O)Cc3ccccc3)C[C@H]2O)CC1	ZINC001077622669	905668542	/nfs/dbraw/zinc/66/85/42/905668542.db2.gz	VZVXTXPSHZTEEW-VAMGGRTRSA-N	1	0	358.482	1.498	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[N@@H+]2CC[C@H](C)C2)C1	ZINC001080561588	905688247	/nfs/dbraw/zinc/68/82/47/905688247.db2.gz	XOKPMYQLINUVII-JQHSSLGASA-N	1	0	363.502	1.369	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCN(C)S3(=O)=O)CCC[C@@H]12	ZINC001107574119	905722064	/nfs/dbraw/zinc/72/20/64/905722064.db2.gz	OEHHLZYTEZMIRB-LZLYRXPVSA-N	1	0	369.531	1.347	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)C1=O	ZINC000996818612	905723134	/nfs/dbraw/zinc/72/31/34/905723134.db2.gz	NVYDVCYMHRJBSW-DZJNRPSUSA-N	1	0	361.486	1.169	20	30		FDEDRO
Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]2C)n1	ZINC001080587485	905754369	/nfs/dbraw/zinc/75/43/69/905754369.db2.gz	QTELWJSULUMMFB-CXAGYDPISA-N	1	0	353.426	1.871	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CCCC3CCOCC3)C[C@H]2OC)c1	ZINC001082116881	905826228	/nfs/dbraw/zinc/82/62/28/905826228.db2.gz	BOIFAGUFOQTUOC-WOJBJXKFSA-N	1	0	371.481	1.699	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C	ZINC001082125656	905866581	/nfs/dbraw/zinc/86/65/81/905866581.db2.gz	DSOOMDDDTOWKLJ-LNLFQRSKSA-N	1	0	365.518	1.805	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C3(N4CCOCC4)CCC3)CCC[C@@H]12	ZINC001107594270	905880917	/nfs/dbraw/zinc/88/09/17/905880917.db2.gz	IDWYMLFSBAHBEP-UYAOXDASSA-N	1	0	359.514	1.625	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cn(C)nc3Cl)CCC[C@@H]12	ZINC001107607060	905920818	/nfs/dbraw/zinc/92/08/18/905920818.db2.gz	NNPMPBDCKOBBRW-CRAIPNDOSA-N	1	0	364.877	1.698	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4nccn4c3)CCC[C@@H]12	ZINC001107607131	905922959	/nfs/dbraw/zinc/92/29/59/905922959.db2.gz	ORZZCYMQCYAVJO-WIYYLYMNSA-N	1	0	366.465	1.959	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(CC)on3)CCC[C@@H]12	ZINC001107613144	905984315	/nfs/dbraw/zinc/98/43/15/905984315.db2.gz	IQQBVNPWAUEARJ-VQIMIIECSA-N	1	0	360.458	1.514	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3ccc(F)cc3)CCC[C@@H]12	ZINC001107622406	906022977	/nfs/dbraw/zinc/02/29/77/906022977.db2.gz	GVUDGFOQKMEPMN-WIYYLYMNSA-N	1	0	371.456	1.478	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3ccccc3C)CCC[C@@H]12	ZINC001107628988	906107839	/nfs/dbraw/zinc/10/78/39/906107839.db2.gz	QMPYZNGQILJOLK-DENIHFKCSA-N	1	0	367.493	1.648	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCc3cnn(C)c3)CCC[C@@H]12	ZINC001107642456	906209176	/nfs/dbraw/zinc/20/91/76/906209176.db2.gz	SYKZQVSMECSNCE-UYAOXDASSA-N	1	0	358.486	1.363	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)OCCOCC)CCC[C@@H]12	ZINC001107641941	906210550	/nfs/dbraw/zinc/21/05/50/906210550.db2.gz	IWFSUIIZTJFYNF-QWFCFKBJSA-N	1	0	368.518	1.991	20	30		FDEDRO
C=CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCCCC)CC2	ZINC001107651013	906227658	/nfs/dbraw/zinc/22/76/58/906227658.db2.gz	PGWQDYSSDYXDDZ-MBOZVWFJSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC(C)C)CC2	ZINC001107651337	906229551	/nfs/dbraw/zinc/22/95/51/906229551.db2.gz	YEQOZXGDJPGULL-YLJYHZDGSA-N	1	0	365.518	1.712	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cncc(N3CCCC3)n2)[C@H](OC)C1	ZINC001082205339	906252823	/nfs/dbraw/zinc/25/28/23/906252823.db2.gz	VTSPAEJJGTWVKA-IAGOWNOFSA-N	1	0	359.474	1.472	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C)c(C)c3)C[C@H]2OC)nn1	ZINC001082213349	906300462	/nfs/dbraw/zinc/30/04/62/906300462.db2.gz	WNGVLOFBNKVROF-IEBWSBKVSA-N	1	0	369.469	1.710	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCc3cnn(CC)c3)C[C@H]2C)cn1	ZINC001080809205	906300809	/nfs/dbraw/zinc/30/08/09/906300809.db2.gz	GXJOKHUIRVLSIS-DNVCBOLYSA-N	1	0	351.454	1.572	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3ccnc3)nn2)[C@H](OC)C1	ZINC001082233679	906343654	/nfs/dbraw/zinc/34/36/54/906343654.db2.gz	FQYYJWOMYOXLKM-HZPDHXFCSA-N	1	0	356.430	1.058	20	30		FDEDRO
COc1c(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)cnn1C	ZINC001080857147	906465058	/nfs/dbraw/zinc/46/50/58/906465058.db2.gz	IZMREIUAUQBATR-CXAGYDPISA-N	1	0	353.426	1.551	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1OC	ZINC001082331995	906810798	/nfs/dbraw/zinc/81/07/98/906810798.db2.gz	OHKSQSTVCWWMKG-QZTJIDSGSA-N	1	0	371.481	1.959	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1noc2c1COCC2	ZINC001080974510	906828817	/nfs/dbraw/zinc/82/88/17/906828817.db2.gz	ZTDNUAZCEPGHSN-CXAGYDPISA-N	1	0	366.421	1.869	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2nnc(CC)s2)CC1	ZINC000997012447	906929026	/nfs/dbraw/zinc/92/90/26/906929026.db2.gz	TZLLIMCDUINUAQ-KGLIPLIRSA-N	1	0	350.488	1.772	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1OC	ZINC001082345411	906936793	/nfs/dbraw/zinc/93/67/93/906936793.db2.gz	IYJIWAMYDQCTPN-NSISKUIASA-N	1	0	356.466	1.452	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3ccn(CC)n3)C[C@H]2C)CC1	ZINC001080997741	906972278	/nfs/dbraw/zinc/97/22/78/906972278.db2.gz	JYNGPFJOPGVDFK-VQIMIIECSA-N	1	0	357.502	1.185	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1	ZINC001077715649	907114582	/nfs/dbraw/zinc/11/45/82/907114582.db2.gz	SICWGGSRXVQHSN-ULQDDVLXSA-N	1	0	365.518	1.853	20	30		FDEDRO
CN1CCC[C@@H]([NH2+][C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2c2ccccc2)C1=O	ZINC001081114859	907213278	/nfs/dbraw/zinc/21/32/78/907213278.db2.gz	KFGNDTKCANABFK-XUVXKRRUSA-N	1	0	365.477	1.605	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cc3n(n2)CCC3)CC1	ZINC000997084592	907216633	/nfs/dbraw/zinc/21/66/33/907216633.db2.gz	OFAFWWONYDFZLD-OALUTQOASA-N	1	0	358.486	1.891	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H](C)C(N)=O)C1	ZINC001081125513	907225507	/nfs/dbraw/zinc/22/55/07/907225507.db2.gz	DIINTKFDKRBWFV-RYQLBKOJSA-N	1	0	366.465	1.746	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3nc(C)nn3C2)C[C@H]1c1ccccc1	ZINC001081151211	907264640	/nfs/dbraw/zinc/26/46/40/907264640.db2.gz	AJPJXTZKMASAQO-CEXWTWQISA-N	1	0	363.465	1.366	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCS2(=O)=O)C[C@H]1c1ccccc1	ZINC001081125813	907306191	/nfs/dbraw/zinc/30/61/91/907306191.db2.gz	RQTDELDVLHTBRP-KSZLIROESA-N	1	0	362.495	1.724	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1c1ccccc1	ZINC001081221940	907332000	/nfs/dbraw/zinc/33/20/00/907332000.db2.gz	DDBIWUGLXGTCLJ-DLBZAZTESA-N	1	0	370.453	1.041	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3ccsc3)C[C@H]2OC)CC1	ZINC001082383232	907376102	/nfs/dbraw/zinc/37/61/02/907376102.db2.gz	NKGUEAPXYPWXAA-QZTJIDSGSA-N	1	0	361.511	1.409	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)cn2)C[C@H]1c1ccccc1	ZINC001081233228	907434134	/nfs/dbraw/zinc/43/41/34/907434134.db2.gz	XRYQCZMKDQXVLM-PKOBYXMFSA-N	1	0	364.449	1.954	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](Oc2cnccc2CNCCF)C1	ZINC001127898076	907576862	/nfs/dbraw/zinc/57/68/62/907576862.db2.gz	JYNRSOZUGQFUAA-BBWFWOEESA-N	1	0	363.433	1.712	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)C3CCOCC3)C[C@H]2C)cc1C#N	ZINC001082406727	907602680	/nfs/dbraw/zinc/60/26/80/907602680.db2.gz	OWEZCSXQMUYUNX-RDTXWAMCSA-N	1	0	357.454	1.930	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082416156	907650826	/nfs/dbraw/zinc/65/08/26/907650826.db2.gz	QHODFHRZDJQYAN-BDJLRTHQSA-N	1	0	355.373	1.443	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccc(Cl)o3)C[C@H]2C)C1=O	ZINC001082424250	907654743	/nfs/dbraw/zinc/65/47/43/907654743.db2.gz	JDKWKWZDMOHFHP-JHJVBQTASA-N	1	0	351.834	1.770	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(F)cc2C)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC001081499301	907692856	/nfs/dbraw/zinc/69/28/56/907692856.db2.gz	AMFPEAQFTSMNBL-QZTJIDSGSA-N	1	0	356.401	1.963	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C)n2cccn2)C[C@H]1C	ZINC001082433474	907706125	/nfs/dbraw/zinc/70/61/25/907706125.db2.gz	XXPPVFZHAKNUKM-IIDMSEBBSA-N	1	0	367.453	1.961	20	30		FDEDRO
C[C@H](C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1O)[NH+]1CCCCCC1	ZINC001077777637	907858441	/nfs/dbraw/zinc/85/84/41/907858441.db2.gz	ULSYQXGQJWFTME-NSISKUIASA-N	1	0	370.497	1.484	20	30		FDEDRO
COc1ncc(C[NH2+][C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)c(C)n1	ZINC001082483488	907905392	/nfs/dbraw/zinc/90/53/92/907905392.db2.gz	IIYJVWBQMPLZPU-BDJLRTHQSA-N	1	0	354.414	1.244	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1[NH2+]CC(=O)N1CCC[C@H](C)C1	ZINC001082483682	907906482	/nfs/dbraw/zinc/90/64/82/907906482.db2.gz	ARBYQIVPMXKGDW-JJRVBVJISA-N	1	0	357.458	1.195	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1	ZINC001082483586	907906624	/nfs/dbraw/zinc/90/66/24/907906624.db2.gz	RBJODMGJBWBUPC-SJKOYZFVSA-N	1	0	351.410	1.236	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C)C(=O)N1CCC(C)CC1	ZINC001082480443	907950350	/nfs/dbraw/zinc/95/03/50/907950350.db2.gz	PZYHQSVTRDSWGI-IIDMSEBBSA-N	1	0	371.485	1.583	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@H]2O)cc1	ZINC001077795152	907979177	/nfs/dbraw/zinc/97/91/77/907979177.db2.gz	BPOHBMMBXPWIME-QXAKKESOSA-N	1	0	358.438	1.043	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]CC(=O)N1c2ccccc2C[C@@H]1C	ZINC001082504910	908118447	/nfs/dbraw/zinc/11/84/47/908118447.db2.gz	SHFAEPVZTLKQER-JTDSTZFVSA-N	1	0	365.477	1.814	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082517664	908198291	/nfs/dbraw/zinc/19/82/91/908198291.db2.gz	YGKSRBUVVYDBOT-DTTOXWODSA-N	1	0	354.454	1.409	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2nnn(C(C)(C)C)n2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082525077	908256474	/nfs/dbraw/zinc/25/64/74/908256474.db2.gz	XVPRZEYYBSXVLX-CZUORRHYSA-N	1	0	367.457	1.550	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CCCc3ccccc3C)C[C@H]2O)nn1	ZINC001077801273	908297878	/nfs/dbraw/zinc/29/78/78/908297878.db2.gz	KBWFUAAAHAOHSE-IEBWSBKVSA-N	1	0	369.469	1.180	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2ccn(C)n2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082539840	908364106	/nfs/dbraw/zinc/36/41/06/908364106.db2.gz	LIFGCYIZXNENRX-DNVCBOLYSA-N	1	0	351.454	1.861	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)n2nnnc2C(C)(C)C)C[C@H]1C	ZINC001082550697	908501055	/nfs/dbraw/zinc/50/10/55/908501055.db2.gz	UZOGACXLPUAKHY-RAIGVLPGSA-N	1	0	354.886	1.721	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CCc3ccsc3)C[C@H]2C)C1=O	ZINC001082560674	908622116	/nfs/dbraw/zinc/62/21/16/908622116.db2.gz	MXMMCBDFEVXIIE-DJIMGWMZSA-N	1	0	361.511	1.904	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1	ZINC000997398236	908646029	/nfs/dbraw/zinc/64/60/29/908646029.db2.gz	FODZHJRQTJECNH-RDGPPVDQSA-N	1	0	357.498	1.911	20	30		FDEDRO
Cc1nn(C)cc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1	ZINC001082564116	908658907	/nfs/dbraw/zinc/65/89/07/908658907.db2.gz	XQMTUTATGHUWEP-BFUOFWGJSA-N	1	0	369.444	1.919	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc4cccn4cn3)C[C@H]2C)C1=O	ZINC001082586173	908906422	/nfs/dbraw/zinc/90/64/22/908906422.db2.gz	GNDQUMRUTMVADJ-UWWQBHOKSA-N	1	0	367.453	1.171	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCc3nccn3C2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082603262	908913732	/nfs/dbraw/zinc/91/37/32/908913732.db2.gz	RHNWLNHXAAKOBK-ATZDWAIDSA-N	1	0	363.465	1.954	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccccc3COC)C[C@H]2C)C1=O	ZINC001082615399	909057393	/nfs/dbraw/zinc/05/73/93/909057393.db2.gz	AWHCMFWDSDPSBK-AYOQOUSVSA-N	1	0	371.481	1.670	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1OC)OCC	ZINC001212354660	909068974	/nfs/dbraw/zinc/06/89/74/909068974.db2.gz	FXMSFKPFWWFLTH-BRWVUGGUSA-N	1	0	350.463	1.070	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1N1CCN(C(=O)C2(C#N)CCC2)CC1	ZINC000265666307	909087799	/nfs/dbraw/zinc/08/77/99/909087799.db2.gz	ZUJIREOYDGSYOC-UHFFFAOYSA-N	1	0	356.470	1.969	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cnn3c2OCCC3)C[C@H]1C	ZINC001082618475	909087977	/nfs/dbraw/zinc/08/79/77/909087977.db2.gz	MGLUWZKAPYNHAN-ZWNOBZJWSA-N	1	0	369.263	1.624	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cncn2C)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082621668	909131519	/nfs/dbraw/zinc/13/15/19/909131519.db2.gz	MLSIPOPHDOJXIJ-RHSMWYFYSA-N	1	0	353.426	1.573	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082632231	909185758	/nfs/dbraw/zinc/18/57/58/909185758.db2.gz	ONQJLVFHVFMYNF-IAQYHMDHSA-N	1	0	370.384	1.640	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccc(OC(C)C)nc2)[C@H](OC)C1	ZINC001212369897	909281655	/nfs/dbraw/zinc/28/16/55/909281655.db2.gz	DYCPKKKUBGCERO-IAGOWNOFSA-N	1	0	363.458	1.500	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082659214	909372220	/nfs/dbraw/zinc/37/22/20/909372220.db2.gz	BDHRJIHJPSQOID-FXHACXQTSA-N	1	0	358.417	1.160	20	30		FDEDRO
CCn1cc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)nn1	ZINC001082657819	909421939	/nfs/dbraw/zinc/42/19/39/909421939.db2.gz	VPCZRCSKDOYVAL-RDTXWAMCSA-N	1	0	352.442	1.349	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2c(C)nn(C)c2C)C[C@H]1C	ZINC001082672666	909440353	/nfs/dbraw/zinc/44/03/53/909440353.db2.gz	IXAFPRTXXRAVKG-NOZJJQNGSA-N	1	0	355.280	1.996	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3occ4c3CCC4)C[C@H]2C)C1=O	ZINC001082665949	909455097	/nfs/dbraw/zinc/45/50/97/909455097.db2.gz	NOXVZFCUNXRONK-XOKHGSTOSA-N	1	0	357.454	1.605	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccc(CC)cc2)C[C@@H]1O	ZINC001083789999	909501030	/nfs/dbraw/zinc/50/10/30/909501030.db2.gz	JMYWDJXHWHZGBN-ZRNYENFQSA-N	1	0	358.482	1.544	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2C)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082680296	909503992	/nfs/dbraw/zinc/50/39/92/909503992.db2.gz	AIDUSMHRHAZLNQ-XJKCOSOUSA-N	1	0	360.483	1.567	20	30		FDEDRO
COc1nn(C)cc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)s2)C1	ZINC001082681232	909594359	/nfs/dbraw/zinc/59/43/59/909594359.db2.gz	CUGYCYBSGLPMNT-IAQYHMDHSA-N	1	0	359.455	1.612	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCc2cnn(C)c2)CC1	ZINC000997754132	909612570	/nfs/dbraw/zinc/61/25/70/909612570.db2.gz	KIVOJBPOEQJWDR-IPELMVKDSA-N	1	0	360.502	1.770	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082692711	909631939	/nfs/dbraw/zinc/63/19/39/909631939.db2.gz	LSKOODNTLCDCQJ-ISTRZQFTSA-N	1	0	358.417	1.112	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC[C@H]3CCS(=O)(=O)C3)C2)CC1	ZINC001082722808	909833567	/nfs/dbraw/zinc/83/35/67/909833567.db2.gz	JBVXQDPCDOGJTE-SOLBZPMBSA-N	1	0	368.543	1.994	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H]3CCN(C(C)(C)C)C3=O)C2)c1	ZINC001082730245	909865223	/nfs/dbraw/zinc/86/52/23/909865223.db2.gz	ILGXWUHJSKFTAD-ZTFGCOKTSA-N	1	0	368.481	1.512	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(CO)ccc3F)C2)c1	ZINC001082730183	909865258	/nfs/dbraw/zinc/86/52/58/909865258.db2.gz	FVROERVGBUGKMZ-JLTOFOAXSA-N	1	0	367.424	1.945	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cccc(=O)n2C)C[C@H]1C	ZINC001082731776	909877896	/nfs/dbraw/zinc/87/78/96/909877896.db2.gz	WKYABHPJNSZIHU-ZYHUDNBSSA-N	1	0	354.248	1.344	20	30		FDEDRO
Cc1ccn(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)n1	ZINC001082749166	909921262	/nfs/dbraw/zinc/92/12/62/909921262.db2.gz	IFHKJZDAELCJOY-FZKQIMNGSA-N	1	0	355.417	1.839	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc(C)nn3CC)C[C@H]2C)C1=O	ZINC001082760405	910035867	/nfs/dbraw/zinc/03/58/67/910035867.db2.gz	RVPJHUARJFEPSD-VNQPRFMTSA-N	1	0	359.474	1.048	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CCC3CCOCC3)C[C@H]2C)C1=O	ZINC001082781231	910138395	/nfs/dbraw/zinc/13/83/95/910138395.db2.gz	LKWHVCPWUZDPHY-KBAYOESNSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCc3ccnn3C)C2)cc1	ZINC001082790677	910189964	/nfs/dbraw/zinc/18/99/64/910189964.db2.gz	KRTFQZIWFOZPDR-OXQOHEQNSA-N	1	0	366.465	1.725	20	30		FDEDRO
CCN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CCC[N@H+](Cc2ccccc2C#N)CC1	ZINC000998128777	910422377	/nfs/dbraw/zinc/42/23/77/910422377.db2.gz	ZNDWUOHPUFAUMC-OTWHNJEPSA-N	1	0	368.481	1.883	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C(N)=O)c3)C2)nc1	ZINC001082868985	910510059	/nfs/dbraw/zinc/51/00/59/910510059.db2.gz	HYIDYSQADYBNCN-AUUYWEPGSA-N	1	0	362.433	1.412	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OC)nc3)C2)cn1	ZINC001082870123	910515141	/nfs/dbraw/zinc/51/51/41/910515141.db2.gz	APWIDRRISNHGQG-RDTXWAMCSA-N	1	0	350.422	1.717	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)N3CCCCC3)C2)cn1	ZINC001082870554	910519526	/nfs/dbraw/zinc/51/95/26/910519526.db2.gz	AHUVEIYRFUXQAB-JTDSTZFVSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H]3CCN(C(C)C)C3=O)C2)nc1	ZINC001082870461	910519619	/nfs/dbraw/zinc/51/96/19/910519619.db2.gz	YJAVTIHUTAPKJW-FHLIZLRMSA-N	1	0	354.454	1.122	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)=O)C[C@H]1C	ZINC001082872813	910582663	/nfs/dbraw/zinc/58/26/63/910582663.db2.gz	BROXYOFAPHDDDI-HONMWMINSA-N	1	0	358.280	1.342	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccc(OC)cc3)C[C@H]2C)C1=O	ZINC001082878347	910609969	/nfs/dbraw/zinc/60/99/69/910609969.db2.gz	QLUCELWJSKPUGU-ZTFGCOKTSA-N	1	0	357.454	1.532	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccc(N(C)C)cc3)C[C@H]2C)C1=O	ZINC001082882166	910640982	/nfs/dbraw/zinc/64/09/82/910640982.db2.gz	FNWCDMWNBNENIU-AYOQOUSVSA-N	1	0	370.497	1.590	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@H]2OC)CCC1	ZINC001212393325	910661622	/nfs/dbraw/zinc/66/16/22/910661622.db2.gz	LEJRVMUCPBJKMZ-GUDVDZBRSA-N	1	0	356.466	1.729	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C[C@H]1C	ZINC001082912542	910860386	/nfs/dbraw/zinc/86/03/86/910860386.db2.gz	KUCJFXLCORZBBZ-XNRPHZJLSA-N	1	0	353.894	1.967	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c(C)noc2C)C1=O	ZINC001085131075	921613999	/nfs/dbraw/zinc/61/39/99/921613999.db2.gz	WNFRJIKUIRAIEJ-OAGGEKHMSA-N	1	0	360.458	1.709	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3c(C)onc3CC)C[C@H]2C)C1=O	ZINC001082916430	910901135	/nfs/dbraw/zinc/90/11/35/910901135.db2.gz	DGWHNGDWFZMFTK-UHOFOFEASA-N	1	0	360.458	1.382	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cnn(-c3cccnc3)c2)[C@H](OC)C1	ZINC001212399311	910949576	/nfs/dbraw/zinc/94/95/76/910949576.db2.gz	JOQCWIXPHXPJSK-QZTJIDSGSA-N	1	0	355.442	1.663	20	30		FDEDRO
C=C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1)c1ccccc1	ZINC001082937327	911021371	/nfs/dbraw/zinc/02/13/71/911021371.db2.gz	SCTXWGBSZLXMEO-BPQIPLTHSA-N	1	0	356.470	1.418	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)cn2)C[C@H]1C	ZINC001082956103	911112486	/nfs/dbraw/zinc/11/24/86/911112486.db2.gz	CZPVNQICBSXGLD-NOZJJQNGSA-N	1	0	367.247	1.139	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2nonc2C)C[C@H]1C	ZINC001082959525	911155594	/nfs/dbraw/zinc/15/55/94/911155594.db2.gz	SXRKHGLPYOWVIS-IAQYHMDHSA-N	1	0	355.398	1.509	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCc2nnc(C[NH2+]CCCC)n2CC1	ZINC001128039182	911645872	/nfs/dbraw/zinc/64/58/72/911645872.db2.gz	HFQHWYVJZBUIRO-OAGGEKHMSA-N	1	0	361.490	1.580	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)NCCC[N@H+](C)CCOC	ZINC000273248145	911646712	/nfs/dbraw/zinc/64/67/12/911646712.db2.gz	XVOJTZZRGYYQLB-UHFFFAOYSA-N	1	0	364.446	1.673	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2COCCO2)c1	ZINC001085139130	921685738	/nfs/dbraw/zinc/68/57/38/921685738.db2.gz	BFOAGODFMJJAMK-KURKYZTESA-N	1	0	361.417	1.630	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CCC[N@H+]2C)cn1	ZINC000998952148	911903205	/nfs/dbraw/zinc/90/32/05/911903205.db2.gz	LXQKVTDIAWPCIV-VSZNYVQBSA-N	1	0	352.438	1.019	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3cn(CCOC)nc3C)[C@H]2C1	ZINC001083080866	911943362	/nfs/dbraw/zinc/94/33/62/911943362.db2.gz	IYPOTGPVCVPLFX-ZWKOTPCHSA-N	1	0	362.474	1.329	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3cn4c(n3)CCCC4)[C@H]2C1	ZINC001083089363	911965597	/nfs/dbraw/zinc/96/55/97/911965597.db2.gz	CXGMOSUAPCBDGL-ZWKOTPCHSA-N	1	0	358.486	1.640	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)CCc3ccc(C(N)=O)cc3)[C@H]2C1	ZINC001083142473	912165356	/nfs/dbraw/zinc/16/53/56/912165356.db2.gz	LCBKHDKZADMFCD-ZWKOTPCHSA-N	1	0	357.454	1.206	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3CC[N@H+](CCCN4CCCC4=O)C[C@H]32)c1	ZINC001084648545	915829940	/nfs/dbraw/zinc/82/99/40/915829940.db2.gz	ITBKOAMHLGVFBX-IEBWSBKVSA-N	1	0	366.465	1.222	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3CC[N@H+](CC[C@H]4CCCCO4)C[C@H]32)nn1	ZINC001084708841	916393711	/nfs/dbraw/zinc/39/37/11/916393711.db2.gz	WQKTXRRUKGEPID-JFIYKMOQSA-N	1	0	359.474	1.570	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3CC[N@@H+](CC4CC(OCC)C4)C[C@H]32)nn1	ZINC001084709407	916400408	/nfs/dbraw/zinc/40/04/08/916400408.db2.gz	ZZYNHYKWFOEODH-HDWXEKECSA-N	1	0	359.474	1.426	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Cc2c(C)[nH]c3nn(C)c(=O)c-3c2C)CC1	ZINC000730285779	916476631	/nfs/dbraw/zinc/47/66/31/916476631.db2.gz	IRRAXYOZVNZPHB-UHFFFAOYSA-N	1	0	357.458	1.188	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCc3cnn(CC)c3)C[C@H]21	ZINC001084715635	916500309	/nfs/dbraw/zinc/50/03/09/916500309.db2.gz	OYQDWHXNOVNQGW-WCIQWLHISA-N	1	0	372.513	1.959	20	30		FDEDRO
CN1C(=O)CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001084803665	917246128	/nfs/dbraw/zinc/24/61/28/917246128.db2.gz	JTIUMULKSMHGBF-GUDVDZBRSA-N	1	0	366.465	1.602	20	30		FDEDRO
C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(CC#Cc4ccc(F)cc4)C[C@H]32)C1	ZINC001084830388	917507227	/nfs/dbraw/zinc/50/72/27/917507227.db2.gz	UIHKVPZOCJSAOZ-WSTZPKSXSA-N	1	0	355.457	1.662	20	30		FDEDRO
C=C(C)CNC(=S)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000730950969	917516390	/nfs/dbraw/zinc/51/63/90/917516390.db2.gz	RHWLYPJMWUAOCQ-QGZVFWFLSA-N	1	0	360.527	1.924	20	30		FDEDRO
Cc1nc[nH]c1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21	ZINC001084871827	917877780	/nfs/dbraw/zinc/87/77/80/917877780.db2.gz	GVYNYCKLMZWVBP-SJLPKXTDSA-N	1	0	365.437	1.967	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3CC[N@H+](CCCN4CCCC4=O)[C@H]3C2)c1	ZINC001084915044	918279867	/nfs/dbraw/zinc/27/98/67/918279867.db2.gz	YJCYAMORCLTWKZ-AEFFLSMTSA-N	1	0	369.469	1.435	20	30		FDEDRO
Cc1noc(CCC[N@@H+]2CC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)n1	ZINC001084915422	918285668	/nfs/dbraw/zinc/28/56/68/918285668.db2.gz	ZNMLYQYMRLVSDX-WBVHZDCISA-N	1	0	368.441	1.747	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3CC[N@H+](C[C@@H]4CCc5ncnn54)[C@H]3C2)c1	ZINC001084915667	918287198	/nfs/dbraw/zinc/28/71/98/918287198.db2.gz	KUFVKGOEOOEJKY-VYDXJSESSA-N	1	0	365.441	1.202	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)C[C@@H]4COC(=O)C4)C[C@@H]32)c1	ZINC001084920696	918327553	/nfs/dbraw/zinc/32/75/53/918327553.db2.gz	RKRAKSKIRVLMLS-OTWHNJEPSA-N	1	0	367.449	1.934	20	30		FDEDRO
Cc1nnc(CC(=O)N2CC[C@H]3CC[N@H+](Cc4ccc(C#N)s4)[C@H]3C2)o1	ZINC001084935004	918536594	/nfs/dbraw/zinc/53/65/94/918536594.db2.gz	SPUWPPYPGCJDPW-CJNGLKHVSA-N	1	0	371.466	1.977	20	30		FDEDRO
Cc1csc(=O)n1CC[N@@H+]1CC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21	ZINC001084937913	918580525	/nfs/dbraw/zinc/58/05/25/918580525.db2.gz	OSRLORYNJVTRMP-SJORKVTESA-N	1	0	359.495	1.554	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)C(C)(C)C)C[C@@H]21	ZINC001084947325	918646151	/nfs/dbraw/zinc/64/61/51/918646151.db2.gz	NGNXBSYWKWMQER-SQNIBIBYSA-N	1	0	359.514	1.970	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CCn3cncn3)[C@H]2C1	ZINC001084948911	918673202	/nfs/dbraw/zinc/67/32/02/918673202.db2.gz	KXJOYAPBGGUBDD-CABCVRRESA-N	1	0	351.882	1.980	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c(c3)OCC(=O)N4)C[C@@H]21	ZINC001084959338	918861706	/nfs/dbraw/zinc/86/17/06/918861706.db2.gz	OBWXZRBJCDHNOW-PBHICJAKSA-N	1	0	353.422	1.577	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC(=O)N3)C[C@@H]21	ZINC001084966965	918920059	/nfs/dbraw/zinc/92/00/59/918920059.db2.gz	XKIZHMQCCPZMMR-LZQZEXGQSA-N	1	0	366.465	1.650	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)Nc1ccc(C(=O)NCC[NH+](CC)CC)cc1	ZINC000732056624	918968156	/nfs/dbraw/zinc/96/81/56/918968156.db2.gz	WQDSIUFANUSUOS-IBGZPJMESA-N	1	0	370.497	1.794	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(OCC(N)=O)cc3)C[C@@H]21	ZINC001084984534	919174651	/nfs/dbraw/zinc/17/46/51/919174651.db2.gz	CKVUPICHSFWRNT-QAPCUYQASA-N	1	0	357.454	1.663	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3nc(C)c4cccnc43)C[C@@H]21	ZINC001084995049	919336945	/nfs/dbraw/zinc/33/69/45/919336945.db2.gz	HPACJAWLUIMIHF-AEFFLSMTSA-N	1	0	351.454	1.686	20	30		FDEDRO
CC(C)(CNC(=O)NCCNC(=O)C1N=CC=CC1=O)[NH+]1CCCCC1	ZINC000732438651	919608458	/nfs/dbraw/zinc/60/84/58/919608458.db2.gz	AFZWLTFOLXZCIA-FOCLMDBBSA-N	1	0	363.462	1.077	20	30		FDEDRO
C[N@H+](CCNC(=O)NCCNC(=O)C1N=CC=CC1=O)C1CCCCC1	ZINC000732460323	919632547	/nfs/dbraw/zinc/63/25/47/919632547.db2.gz	GNNUYHZXEDVRJQ-MSUUIHNZSA-N	1	0	363.462	1.077	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN(CC(F)F)C3)C[C@@H]21	ZINC001085018749	919713970	/nfs/dbraw/zinc/71/39/70/919713970.db2.gz	OGQVCESYLPUQEW-ZACQAIPSSA-N	1	0	353.457	1.910	20	30		FDEDRO
C=C1CCC(C(=O)N2CC[C@H]3CC[N@H+](CCN4CCNC4=O)[C@H]3C2)CC1	ZINC001085023543	919789152	/nfs/dbraw/zinc/78/91/52/919789152.db2.gz	IJXDDVQXVZWGSR-AEFFLSMTSA-N	1	0	360.502	1.681	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N(C)C3CC3)[C@H]2C1	ZINC001085037583	919962750	/nfs/dbraw/zinc/96/27/50/919962750.db2.gz	PORIUXNHEKXSER-BGTYHANMSA-N	1	0	361.486	1.121	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3c(C)nnn3CC)[C@H]2C1	ZINC001085037448	919963010	/nfs/dbraw/zinc/96/30/10/919963010.db2.gz	HQVSRIRQQXSFTQ-FPAYPSAMSA-N	1	0	373.501	1.620	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N4CCCC4)[C@H]3C2)nc1	ZINC001085076863	920569652	/nfs/dbraw/zinc/56/96/52/920569652.db2.gz	JIROYNKTLSXZRC-MJGOQNOKSA-N	1	0	366.465	1.222	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c(c3)C(=O)NC4=O)C[C@@H]21	ZINC001085078053	920586465	/nfs/dbraw/zinc/58/64/65/920586465.db2.gz	YPZWQWOYDJJDCJ-DYVFJYSZSA-N	1	0	353.422	1.683	20	30		FDEDRO
C=C(Br)CN1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]21	ZINC001085092693	920804586	/nfs/dbraw/zinc/80/45/86/920804586.db2.gz	MLDHDYYUEAQSHN-KFWWJZLASA-N	1	0	356.308	1.770	20	30		FDEDRO
O=C(NC1CC1)c1ccc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1	ZINC000733334877	920989262	/nfs/dbraw/zinc/98/92/62/920989262.db2.gz	SPRVHCKWTQHGLM-HTXNQAPBSA-N	1	0	354.410	1.195	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2n[nH]c(C)c2C)C1=O	ZINC001085154284	921841097	/nfs/dbraw/zinc/84/10/97/921841097.db2.gz	LPNGNKWCJNNQLY-BZUAXINKSA-N	1	0	359.474	1.444	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C#N)c[nH]2)nn1	ZINC001085164167	921912823	/nfs/dbraw/zinc/91/28/23/921912823.db2.gz	SEYNQZPOALXGAO-HUUCEWRRSA-N	1	0	354.414	1.516	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCNC(=O)C1	ZINC001085167759	921935391	/nfs/dbraw/zinc/93/53/91/921935391.db2.gz	KKFWTTSZFBMZMS-BMGDILEWSA-N	1	0	354.454	1.601	20	30		FDEDRO
CCc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)n1C	ZINC001085173538	921968416	/nfs/dbraw/zinc/96/84/16/921968416.db2.gz	AZIWQLFFHFLJFB-ZIAGYGMSSA-N	1	0	355.446	1.408	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCc3ncnn32)[nH]1	ZINC001085172141	921982431	/nfs/dbraw/zinc/98/24/31/921982431.db2.gz	OSURUDKLRCRPPK-RBSFLKMASA-N	1	0	353.430	1.296	20	30		FDEDRO
CC(C)(C)N1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)C1=O	ZINC001085171900	921982544	/nfs/dbraw/zinc/98/25/44/921982544.db2.gz	HHYFYZRGCUSOFN-BFYDXBDKSA-N	1	0	371.485	1.916	20	30		FDEDRO
CC(C)N1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)C1=O	ZINC001085172305	921984229	/nfs/dbraw/zinc/98/42/29/921984229.db2.gz	UXTYHXZCZCWNBP-INMHGKMJSA-N	1	0	357.458	1.526	20	30		FDEDRO
COc1ncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(C#N)c2)c(C)n1	ZINC001085174536	921993082	/nfs/dbraw/zinc/99/30/82/921993082.db2.gz	GJLABDANAQNRTF-IAGOWNOFSA-N	1	0	368.441	1.824	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2ccc(C)o2)C1=O	ZINC001085174712	921994400	/nfs/dbraw/zinc/99/44/00/921994400.db2.gz	PXQOCEIRCYJTJT-KZNAEPCWSA-N	1	0	359.470	1.934	20	30		FDEDRO
C[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1)n1cncn1	ZINC001085175091	921996397	/nfs/dbraw/zinc/99/63/97/921996397.db2.gz	DTHNHLJQYRBIST-ZTFGCOKTSA-N	1	0	352.442	1.928	20	30		FDEDRO
Cc1cc(NC[C@]2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C#N)cn1	ZINC001065502080	922317957	/nfs/dbraw/zinc/31/79/57/922317957.db2.gz	AVEWZFYNQHIQRP-MDYRTPRTSA-N	1	0	355.486	1.674	20	30		FDEDRO
CCc1nc(C#N)cc(NC[C@]2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001065502853	922332248	/nfs/dbraw/zinc/33/22/48/922332248.db2.gz	KGUDHKCIJLACJT-KKVAFCGZSA-N	1	0	370.501	1.901	20	30		FDEDRO
C=CCOCCCC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001066023481	922528077	/nfs/dbraw/zinc/52/80/77/922528077.db2.gz	YWDGMZYNNYIHLS-FGTMMUONSA-N	1	0	365.518	1.807	20	30		FDEDRO
Cc1nsc(N2C[C@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@H]3C2)c1C#N	ZINC001066076278	922545285	/nfs/dbraw/zinc/54/52/85/922545285.db2.gz	LRMXJBFPSKOIIQ-APIJFGDWSA-N	1	0	359.499	1.558	20	30		FDEDRO
C=CCCOCC(=O)N1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1	ZINC001066218279	922614166	/nfs/dbraw/zinc/61/41/66/922614166.db2.gz	CQTYWTVMIGHGFO-OKZBNKHCSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)CC1	ZINC001066218103	922614310	/nfs/dbraw/zinc/61/43/10/922614310.db2.gz	YKSXVGYZXLCDBY-KURKYZTESA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCCC1	ZINC001085201642	922662985	/nfs/dbraw/zinc/66/29/85/922662985.db2.gz	RLADQAPVPYJQOM-TVFCKZIOSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1[nH]c(=O)[nH]c1C	ZINC001085235321	923054046	/nfs/dbraw/zinc/05/40/46/923054046.db2.gz	PBAZPYAJAQWEHN-GHMZBOCLSA-N	1	0	357.252	1.963	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(=O)n(CCOC)c1	ZINC001085257133	923236183	/nfs/dbraw/zinc/23/61/83/923236183.db2.gz	ORLSLNWRZDDFSC-HZPDHXFCSA-N	1	0	367.877	1.878	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCCS2(=O)=O)C1	ZINC001085325638	923915630	/nfs/dbraw/zinc/91/56/30/923915630.db2.gz	YATXWWCZFUSCTH-HZPDHXFCSA-N	1	0	369.531	1.395	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)CCNC1=O	ZINC001085329936	923923952	/nfs/dbraw/zinc/92/39/52/923923952.db2.gz	LKYUCPPTGJEULL-LALPHHSUSA-N	1	0	358.280	1.438	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnnn1CC	ZINC001085360655	924220996	/nfs/dbraw/zinc/22/09/96/924220996.db2.gz	SRUALFCVCRXULR-MLHJIOFPSA-N	1	0	361.490	1.796	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[C@@H]2CCC(=O)N2)cc1	ZINC001085361165	924228267	/nfs/dbraw/zinc/22/82/67/924228267.db2.gz	QCVAVIBINAAGBL-RCCFBDPRSA-N	1	0	354.454	1.744	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCc2cnn(C)c2)cn1	ZINC001085397578	924443707	/nfs/dbraw/zinc/44/37/07/924443707.db2.gz	PJOFLSLWWDEZBN-RTBURBONSA-N	1	0	351.454	1.670	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]3CN(c4ccncc4C#N)C[C@H]32)CC[N@@H+]1C	ZINC001066253027	924529771	/nfs/dbraw/zinc/52/97/71/924529771.db2.gz	GVAAUDFIDMDLKI-LORHWOILSA-N	1	0	353.470	1.721	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)Nc2cc(OC)ccc2OC)CC1	ZINC000735939253	924686735	/nfs/dbraw/zinc/68/67/35/924686735.db2.gz	BBTWFHFDALNLMO-CQSZACIVSA-N	1	0	374.437	1.919	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[C@@H]2CC(=O)NC2=O)cc1	ZINC001085441838	924736056	/nfs/dbraw/zinc/73/60/56/924736056.db2.gz	QWDMCOBOUGMQDR-BRWVUGGUSA-N	1	0	368.437	1.128	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(C)nc(C)n2)[C@@H](n2ccnn2)C1	ZINC001129322849	925289344	/nfs/dbraw/zinc/28/93/44/925289344.db2.gz	ZGGJJZSFJKSQEQ-OLMNPRSZSA-N	1	0	369.473	1.695	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000739916294	925323298	/nfs/dbraw/zinc/32/32/98/925323298.db2.gz	XCOPFBKRFSLRSA-IBGZPJMESA-N	1	0	370.453	1.012	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](NC(=O)C[N@@H+](C)CCC)CC1	ZINC001066361007	925739073	/nfs/dbraw/zinc/73/90/73/925739073.db2.gz	AFCWCRAVRPZVBY-LNLFQRSKSA-N	1	0	365.518	1.807	20	30		FDEDRO
CCN(CC)S(=O)(=O)c1ccc(N=NC2CC[N@H+](C)[C@H](C)C2)nc1	ZINC000741455018	925779542	/nfs/dbraw/zinc/77/95/42/925779542.db2.gz	IFKDAPMFKJQBBR-CYBMUJFWSA-N	1	0	353.492	1.994	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cncc(OC)n2)C1	ZINC001086089705	925938012	/nfs/dbraw/zinc/93/80/12/925938012.db2.gz	LVXVDRJSJREVKE-WTTBNOFXSA-N	1	0	360.458	1.451	20	30		FDEDRO
C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CC[C@H]([NH+]3CC=CC3)C2)C1=O	ZINC000742163843	925945313	/nfs/dbraw/zinc/94/53/13/925945313.db2.gz	WROZCPQRUNBEJJ-PXNSSMCTSA-N	1	0	365.437	1.229	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)CC1	ZINC000742287991	926000303	/nfs/dbraw/zinc/00/03/03/926000303.db2.gz	NNTKOFCXVSVHJV-UHFFFAOYSA-N	1	0	368.481	1.358	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)NCCCC[NH+]1CCN(C)CC1	ZINC000743202010	926291459	/nfs/dbraw/zinc/29/14/59/926291459.db2.gz	BGGGTVAUURIYIC-UHFFFAOYSA-N	1	0	362.449	1.987	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ncnn2C(C)C)C1	ZINC001086223323	926353483	/nfs/dbraw/zinc/35/34/83/926353483.db2.gz	KWOTTYKORYVUDW-DFGXFYAUSA-N	1	0	361.490	1.825	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)CN(C[N@@H+]3CCC4(C3)CCOCC4)C2=O)cc1	ZINC000743406154	926355958	/nfs/dbraw/zinc/35/59/58/926355958.db2.gz	FPIUPZVSWUPKDH-UHFFFAOYSA-N	1	0	368.437	1.782	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CN2C(=O)c3ccc(C)cc3C2=O)CC1	ZINC000743491448	926378349	/nfs/dbraw/zinc/37/83/49/926378349.db2.gz	ICICNCOKRIOINX-UHFFFAOYSA-N	1	0	353.422	1.195	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H](C)n2nnc(-c3ccccc3)n2)CC1	ZINC000743493340	926378975	/nfs/dbraw/zinc/37/89/75/926378975.db2.gz	OHVKUJCJCMCQNR-OAHLLOKOSA-N	1	0	352.442	1.505	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1	ZINC000743952922	926515087	/nfs/dbraw/zinc/51/50/87/926515087.db2.gz	YBIRPJOQLCJODC-KRWDZBQOSA-N	1	0	369.465	1.972	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@]23C[C@H]2COC3)C1	ZINC001086371810	926892718	/nfs/dbraw/zinc/89/27/18/926892718.db2.gz	AISTVAOCXMBUGU-VERUCKTNSA-N	1	0	355.438	1.588	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCCN2c2cc(C)ncc2C#N)CC[N@@H+]1C	ZINC001066527038	927150180	/nfs/dbraw/zinc/15/01/80/927150180.db2.gz	RJGXPDKGIXHVCF-FGTMMUONSA-N	1	0	371.485	1.313	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1	ZINC001086437394	927252860	/nfs/dbraw/zinc/25/28/60/927252860.db2.gz	YQOIIQAYKNDRIA-QOOKETHRSA-N	1	0	369.465	1.594	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1	ZINC000746317698	927824054	/nfs/dbraw/zinc/82/40/54/927824054.db2.gz	NXIOUZKGRSCPTA-HXUWFJFHSA-N	1	0	353.397	1.951	20	30		FDEDRO
N#CCn1cc(NC(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cn1	ZINC000746345417	927889861	/nfs/dbraw/zinc/88/98/61/927889861.db2.gz	MVLNYCQJRBCLQN-UHFFFAOYSA-N	1	0	366.425	1.126	20	30		FDEDRO
Brc1cn2c(C=NNCC[NH+]3CCCCC3)cnc2cn1	ZINC000746369142	927917447	/nfs/dbraw/zinc/91/74/47/927917447.db2.gz	NMIYECDVKIXMHJ-UHFFFAOYSA-N	1	0	351.252	1.901	20	30		FDEDRO
CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2cnn(CC#N)c2)c1	ZINC000746410684	927954682	/nfs/dbraw/zinc/95/46/82/927954682.db2.gz	DKTXOYNUSUZRIY-UHFFFAOYSA-N	1	0	354.414	1.113	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(CC#N)c2)C[N@@H+]1Cc1ccccc1	ZINC000746436586	928004700	/nfs/dbraw/zinc/00/47/00/928004700.db2.gz	WMZVUUFCZWTCKL-GDBMZVCRSA-N	1	0	366.425	1.124	20	30		FDEDRO
N#Cc1c(Br)ccnc1-n1nnc(-c2cccc(C[NH3+])c2)n1	ZINC001168888142	928146498	/nfs/dbraw/zinc/14/64/98/928146498.db2.gz	VFISPTHTEKDZSH-UHFFFAOYSA-N	1	0	356.187	1.817	20	30		FDEDRO
C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CC1(C#N)CCC1	ZINC001169162194	928326857	/nfs/dbraw/zinc/32/68/57/928326857.db2.gz	JZNRBIOPPWHNJG-AWEZNQCLSA-N	1	0	372.473	1.276	20	30		FDEDRO
C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCCCC#N	ZINC001169172548	928338531	/nfs/dbraw/zinc/33/85/31/928338531.db2.gz	QCJULBRQWCGDHX-AWEZNQCLSA-N	1	0	360.462	1.276	20	30		FDEDRO
C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CC[C@](C)(C#N)C1	ZINC001169218195	928347895	/nfs/dbraw/zinc/34/78/95/928347895.db2.gz	NLPLCNNGDWCCSF-IFXJQAMLSA-N	1	0	372.473	1.228	20	30		FDEDRO
Cc1nn2c(C=NNC(=S)NCCC[NH+](C)C)c(C(C)C)nc2s1	ZINC000766699682	928597593	/nfs/dbraw/zinc/59/75/93/928597593.db2.gz	KVOFYPBVQRRRKJ-UHFFFAOYSA-N	1	0	367.548	1.972	20	30		FDEDRO
CCOC(=O)N1CCC[C@H]([NH+]2CCN(c3nccnc3C#N)CC2)CC1	ZINC001169702785	928862120	/nfs/dbraw/zinc/86/21/20/928862120.db2.gz	HXUOGOASLQTASN-HNNXBMFYSA-N	1	0	358.446	1.481	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)COCc2ccncc2)[C@@H](n2ccnn2)C1	ZINC001129347338	928923677	/nfs/dbraw/zinc/92/36/77/928923677.db2.gz	BXECVODVRGFLHK-MSOLQXFVSA-N	1	0	370.457	1.198	20	30		FDEDRO
CCCCCCC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3OCC[C@H]3C)CC2=O)C1	ZINC001108573231	928937522	/nfs/dbraw/zinc/93/75/22/928937522.db2.gz	PWOZPQZXOBQWKI-GJYPPUQNSA-N	1	0	365.518	1.783	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccn(C)c(=O)c1	ZINC001109562776	929781284	/nfs/dbraw/zinc/78/12/84/929781284.db2.gz	AHYAJYQBAOEJCE-WKRCXCSHSA-N	1	0	373.497	1.836	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCOC	ZINC001109566387	929792766	/nfs/dbraw/zinc/79/27/66/929792766.db2.gz	AHZWHDZSMXDVEX-VUHPKUFZSA-N	1	0	354.491	1.600	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3cnc(C)n3C1)C2	ZINC001109646459	930001155	/nfs/dbraw/zinc/00/11/55/930001155.db2.gz	XNSRTIIYXWOYOK-FPAYPSAMSA-N	1	0	358.486	1.678	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCNS(=O)(=O)CC)C1	ZINC001109698865	930146585	/nfs/dbraw/zinc/14/65/85/930146585.db2.gz	WAUSBFFUESDRRO-PMPSAXMXSA-N	1	0	369.531	1.394	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000770790345	930262046	/nfs/dbraw/zinc/26/20/46/930262046.db2.gz	DAUNOPTWBAKBPN-HZPDHXFCSA-N	1	0	368.474	1.899	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCCOC	ZINC001109771070	930375548	/nfs/dbraw/zinc/37/55/48/930375548.db2.gz	MCPDTTZUPHYCDD-QZWWFDLISA-N	1	0	354.491	1.334	20	30		FDEDRO
C=CCn1nnn(CN2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1=S	ZINC000771176786	930513407	/nfs/dbraw/zinc/51/34/07/930513407.db2.gz	VSYDMSCBZIYWFB-UHFFFAOYSA-N	1	0	365.551	1.443	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1)C2	ZINC001109826799	930531020	/nfs/dbraw/zinc/53/10/20/930531020.db2.gz	ZAUDVSOMXXZVMV-ZSXDVEMLSA-N	1	0	374.485	1.212	20	30		FDEDRO
C[C@@H]1[C@H](C)N(CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC[N@H+]1C	ZINC000771466985	930702297	/nfs/dbraw/zinc/70/22/97/930702297.db2.gz	OAAWBTWZXBFIMJ-IPYPFGDCSA-N	1	0	353.426	1.536	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2	ZINC001109917551	930731761	/nfs/dbraw/zinc/73/17/61/930731761.db2.gz	ZDLHZAJMDXEROR-SQNIBIBYSA-N	1	0	362.518	1.131	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](C(=O)OC)c2ccc(OC)c(O)c2)CC1	ZINC000771569773	930750145	/nfs/dbraw/zinc/75/01/45/930750145.db2.gz	DMAAULSBZIKUMA-KRWDZBQOSA-N	1	0	360.410	1.076	20	30		FDEDRO
C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cc(F)ccc1C#N	ZINC001109977757	930937295	/nfs/dbraw/zinc/93/72/95/930937295.db2.gz	YFGNRCRPEVUWNU-QYZOEREBSA-N	1	0	374.460	1.497	20	30		FDEDRO
CC(=NN[C@H](C)CC#N)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1	ZINC000771883872	930947518	/nfs/dbraw/zinc/94/75/18/930947518.db2.gz	DMTUFSQPQHLSDR-CQSZACIVSA-N	1	0	365.503	1.532	20	30		FDEDRO
C#CCC[C@@H](O)CNC(=O)NCC1([NH+]2CCSCC2)CCCCC1	ZINC000798410828	930985462	/nfs/dbraw/zinc/98/54/62/930985462.db2.gz	JPKWEEKWSRZDCT-MRXNPFEDSA-N	1	0	353.532	1.812	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC[C@@H](C)O	ZINC001109996835	930990720	/nfs/dbraw/zinc/99/07/20/930990720.db2.gz	VEEAZFINEANCAC-LMSBXDPUSA-N	1	0	357.454	1.590	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)NCCOc2cccc(F)c2)CC1	ZINC000772109398	931079608	/nfs/dbraw/zinc/07/96/08/931079608.db2.gz	CVEBSMLAGHBJJU-UHFFFAOYSA-N	1	0	362.401	1.209	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)CC1	ZINC000772109165	931080118	/nfs/dbraw/zinc/08/01/18/931080118.db2.gz	IYANNACQCOESHZ-UHFFFAOYSA-N	1	0	358.394	1.285	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)NCCc2c(F)cccc2F)CC1	ZINC000772113280	931081576	/nfs/dbraw/zinc/08/15/76/931081576.db2.gz	KMHJXVZVIYAMTM-UHFFFAOYSA-N	1	0	364.392	1.512	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCc2nc(-c3ccc4c(c3)OCO4)no2)CC1	ZINC000772116799	931082384	/nfs/dbraw/zinc/08/23/84/931082384.db2.gz	XYLWVTQCRGFUBM-UHFFFAOYSA-N	1	0	369.377	1.854	20	30		FDEDRO
C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCn2cccn2)CCOCC1	ZINC001110044045	931227545	/nfs/dbraw/zinc/22/75/45/931227545.db2.gz	SHILQTGGKOBBGF-SQNIBIBYSA-N	1	0	358.486	1.978	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@]1(C)CCCS1(=O)=O)C2	ZINC001112543942	931414731	/nfs/dbraw/zinc/41/47/31/931414731.db2.gz	FUUOIJKQAXCOKT-JQHSSLGASA-N	1	0	354.516	1.748	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn3nc(C)cc3[nH]c1=O)C2	ZINC001112545714	931430078	/nfs/dbraw/zinc/43/00/78/931430078.db2.gz	ZEZBVXFXESLKRL-YWZLYKJASA-N	1	0	369.469	1.739	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCO1	ZINC000785539258	931444220	/nfs/dbraw/zinc/44/42/20/931444220.db2.gz	JCVDNWNBUOXQAM-MOPGFXCFSA-N	1	0	369.465	1.196	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@]1(C)CCCOC1)C2	ZINC001112552342	931528693	/nfs/dbraw/zinc/52/86/93/931528693.db2.gz	SIJCVKFXZYNBPT-DBVUQKKJSA-N	1	0	363.502	1.324	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn(C[C@H]3CCOC3)nn1)C2	ZINC001112553617	931535105	/nfs/dbraw/zinc/53/51/05/931535105.db2.gz	AENQDQCVBJCKOH-UWVAXJGDSA-N	1	0	371.485	1.170	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc(-n3cncn3)n1)C2	ZINC001112553996	931536547	/nfs/dbraw/zinc/53/65/47/931536547.db2.gz	SZSJAODYNBUROL-JXFKEZNVSA-N	1	0	364.453	1.518	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ncoc1C1CC1)C2	ZINC001112556599	931541560	/nfs/dbraw/zinc/54/15/60/931541560.db2.gz	CGSLYUULDHBHFY-YWZLYKJASA-N	1	0	370.453	1.133	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)OCc2ccc(C#N)cc2)CC1=O	ZINC000785658022	931553305	/nfs/dbraw/zinc/55/33/05/931553305.db2.gz	WVIILYPHJTUSEB-ROUUACIJSA-N	1	0	355.438	1.934	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnn(CCCOC)c1)C2	ZINC001112559706	931565354	/nfs/dbraw/zinc/56/53/54/931565354.db2.gz	KWBJLUBBHPKPDM-ICSRJNTNSA-N	1	0	358.486	1.775	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCCC(N)=O)C2	ZINC001112560757	931574594	/nfs/dbraw/zinc/57/45/94/931574594.db2.gz	NZYBALRTDAWFPQ-LPHOPBHVSA-N	1	0	351.491	1.453	20	30		FDEDRO
CCn1cc(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC#CCOC)C2)cn1	ZINC001112561284	931586868	/nfs/dbraw/zinc/58/68/68/931586868.db2.gz	PMQMGAVRFIGHJL-ICSRJNTNSA-N	1	0	358.486	1.314	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(N3CCCC3)nn1)C2	ZINC001112562328	931593234	/nfs/dbraw/zinc/59/32/34/931593234.db2.gz	SBGYREFZVNUJNY-JXFKEZNVSA-N	1	0	353.470	1.542	20	30		FDEDRO
CC[C@@H](CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1)C(C)C	ZINC001112565770	931614508	/nfs/dbraw/zinc/61/45/08/931614508.db2.gz	RNXHEEHPXKZVAK-ZWOKBUDYSA-N	1	0	362.518	1.917	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(OC)cc1)C2	ZINC001112568428	931630296	/nfs/dbraw/zinc/63/02/96/931630296.db2.gz	QIRRHBUQVYVGMQ-UWJYYQICSA-N	1	0	369.465	1.277	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1n[nH]c(=O)c3ccccc31)C2	ZINC001112567349	931640797	/nfs/dbraw/zinc/64/07/97/931640797.db2.gz	KNFXPCGNIZOVGE-XOBRGWDASA-N	1	0	350.422	1.801	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CS(=O)(=O)N(C)C)C2	ZINC001112571927	931651483	/nfs/dbraw/zinc/65/14/83/931651483.db2.gz	VGUMRRLRBFOSCO-RYRKJORJSA-N	1	0	371.547	1.451	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc3c(cn1)nc[nH]c3=O)C2	ZINC001112570525	931652196	/nfs/dbraw/zinc/65/21/96/931652196.db2.gz	BTNAXQXWTAMKDE-XOBRGWDASA-N	1	0	365.437	1.586	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c[nH]cc1C)C2	ZINC001112578228	931734125	/nfs/dbraw/zinc/73/41/25/931734125.db2.gz	FCKVABUJTOYQBB-GUXCAODWSA-N	1	0	358.486	1.846	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](c1cccnc1)N(C)C)C2	ZINC001112586500	931776824	/nfs/dbraw/zinc/77/68/24/931776824.db2.gz	CJGUKOGZPIOYAW-ZVDOUQERSA-N	1	0	354.498	1.926	20	30		FDEDRO
COCC[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@@H]1CCOC1	ZINC000786193306	931797641	/nfs/dbraw/zinc/79/76/41/931797641.db2.gz	ZHDXSGIFFWXGOR-HZPDHXFCSA-N	1	0	366.421	1.961	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(N(C)C)cn1)C2	ZINC001112587240	931809095	/nfs/dbraw/zinc/80/90/95/931809095.db2.gz	NBNLIGPWRJCGRK-UWJYYQICSA-N	1	0	370.497	1.629	20	30		FDEDRO
C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CC[C@](F)(C#N)C3)cc2)CC1	ZINC000786438878	931917323	/nfs/dbraw/zinc/91/73/23/931917323.db2.gz	FBGKEGFTGJBQGY-IBGZPJMESA-N	1	0	373.432	1.231	20	30		FDEDRO
CCOC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCC2)CC1	ZINC000786784916	932032440	/nfs/dbraw/zinc/03/24/40/932032440.db2.gz	GQUCWZHZILYQDD-ZIAGYGMSSA-N	1	0	350.463	1.784	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1	ZINC000786943377	932113318	/nfs/dbraw/zinc/11/33/18/932113318.db2.gz	ZBULESIZLZJENE-UHFFFAOYSA-N	1	0	369.469	1.947	20	30		FDEDRO
C=CCN(C(=O)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1)C(C)C	ZINC000787501402	932295610	/nfs/dbraw/zinc/29/56/10/932295610.db2.gz	QIQSTUGYIVCAQG-UHFFFAOYSA-N	1	0	373.501	1.263	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)C1	ZINC000787522448	932311316	/nfs/dbraw/zinc/31/13/16/932311316.db2.gz	XYKKKNVRCXLXJR-ZBFHGGJFSA-N	1	0	362.474	1.736	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCCO1	ZINC000787907963	932460793	/nfs/dbraw/zinc/46/07/93/932460793.db2.gz	BQUXPGPLELPSIL-XWTMOSNGSA-N	1	0	363.502	1.158	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@@H](C)Cn1cc(Br)ccc1=O	ZINC000788738320	932804092	/nfs/dbraw/zinc/80/40/92/932804092.db2.gz	LDYUHAOREOQFBL-NSHDSACASA-N	1	0	363.277	1.190	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NC2CC[NH+](CC=C)CC2)n1	ZINC000788980553	932912399	/nfs/dbraw/zinc/91/23/99/932912399.db2.gz	PYRGDNADRILZHL-UHFFFAOYSA-N	1	0	359.474	1.325	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)n1	ZINC000789074432	932925734	/nfs/dbraw/zinc/92/57/34/932925734.db2.gz	FLJVWODJFDDNOH-NVXWUHKLSA-N	1	0	359.474	1.300	20	30		FDEDRO
C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(S(=O)(=O)CC(C)(C)C#N)CC1	ZINC000790014430	933317542	/nfs/dbraw/zinc/31/75/42/933317542.db2.gz	IADRFRSQGBLAPU-HOTGVXAUSA-N	1	0	356.536	1.356	20	30		FDEDRO
C[NH+](C)CC(=O)N1CCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000790285828	933446851	/nfs/dbraw/zinc/44/68/51/933446851.db2.gz	KZGMWMATXUCJSI-UHFFFAOYSA-N	1	0	367.371	1.289	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnc(N(C)C)cn2)C1	ZINC001086588464	933609493	/nfs/dbraw/zinc/60/94/93/933609493.db2.gz	WMKHPOYBRAEXSG-FUHWJXTLSA-N	1	0	351.454	1.926	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cncc(C)c2)C1	ZINC001111677068	933704630	/nfs/dbraw/zinc/70/46/30/933704630.db2.gz	OJRNRTFTKNMGIC-KNBMTAEXSA-N	1	0	356.470	1.665	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC(=O)N(CC)C2)C1	ZINC001086591062	933721821	/nfs/dbraw/zinc/72/18/21/933721821.db2.gz	RQXYPEVYNAQGHI-GBESFXJTSA-N	1	0	353.466	1.462	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c1	ZINC000790967558	933804737	/nfs/dbraw/zinc/80/47/37/933804737.db2.gz	HZNUGMPXCAHWNK-KRWDZBQOSA-N	1	0	357.454	1.874	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCN(C)C(=O)C2)C1	ZINC001086595765	933904768	/nfs/dbraw/zinc/90/47/68/933904768.db2.gz	SBSLVNQASWGZHQ-GBESFXJTSA-N	1	0	353.466	1.462	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(CN(C)C)on2)C1	ZINC001086596613	933936794	/nfs/dbraw/zinc/93/67/94/933936794.db2.gz	KOXCFWNHPSZOMY-AZUAARDMSA-N	1	0	366.465	1.957	20	30		FDEDRO
C[N@@H+]1CC[C@@]2(CCN(CN3CC(=O)N(Cc4ccccc4C#N)C3=O)C2)C1	ZINC000793765352	934252504	/nfs/dbraw/zinc/25/25/04/934252504.db2.gz	IYQUPZQFGYXENW-HXUWFJFHSA-N	1	0	367.453	1.308	20	30		FDEDRO
COc1cc(C#N)ccc1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1	ZINC000822610897	945085796	/nfs/dbraw/zinc/08/57/96/945085796.db2.gz	XSLUGTULPUHFBK-UHFFFAOYSA-N	1	0	372.469	1.093	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1	ZINC000793915997	938337971	/nfs/dbraw/zinc/33/79/71/938337971.db2.gz	UFXWLFXQKBJUEM-VXGBXAGGSA-N	1	0	374.323	1.884	20	30		FDEDRO
CC#CCN1C[C@@H](NC(=O)CCc2ccccc2Cl)[C@@H](n2ccnn2)C1	ZINC001129417199	938408869	/nfs/dbraw/zinc/40/88/69/938408869.db2.gz	BIOZTADZCROOOI-MSOLQXFVSA-N	1	0	371.872	1.929	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2c(C)onc2CC)[C@@H](n2ccnn2)C1	ZINC001129427449	938413768	/nfs/dbraw/zinc/41/37/68/938413768.db2.gz	ACJXHADSFWITFQ-CVEARBPZSA-N	1	0	358.446	1.758	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)Cc2ccc(OC)cc2)[C@@H](n2ccnn2)C1	ZINC001129400249	938414556	/nfs/dbraw/zinc/41/45/56/938414556.db2.gz	ADBPIUDEDSCFFL-MOPGFXCFSA-N	1	0	369.469	1.837	20	30		FDEDRO
CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129453775	938421047	/nfs/dbraw/zinc/42/10/47/938421047.db2.gz	IYLDXANOEZTIEL-UHOSZYNNSA-N	1	0	367.453	1.096	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)CCOc2ccccc2C)[C@@H](n2ccnn2)C1	ZINC001129433613	938423659	/nfs/dbraw/zinc/42/36/59/938423659.db2.gz	IXPVPXSVFZMUDR-MSOLQXFVSA-N	1	0	369.469	1.973	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)COCCOCC)[C@@H](n2ccnn2)C1	ZINC001129465884	938428744	/nfs/dbraw/zinc/42/87/44/938428744.db2.gz	SSUWCVKTMODQFD-BBWFWOEESA-N	1	0	365.478	1.027	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H](C)OCCOCC)[C@@H](n2ccnn2)C1	ZINC001129470583	938430258	/nfs/dbraw/zinc/43/02/58/938430258.db2.gz	LLQMFJNNSFHBBQ-BBWFWOEESA-N	1	0	365.478	1.027	20	30		FDEDRO
C=C(C)CN1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](n2ccnn2)C1	ZINC001129484699	938439748	/nfs/dbraw/zinc/43/97/48/938439748.db2.gz	BQEHHYSMWFUJQK-MSOLQXFVSA-N	1	0	360.506	1.462	20	30		FDEDRO
N#CCSCC(=O)N1C[C@@H]([NH2+]CC2=CCCCC2)[C@@H](n2ccnn2)C1	ZINC001129608028	938463895	/nfs/dbraw/zinc/46/38/95/938463895.db2.gz	HYMZWYRDAGZVCV-CVEARBPZSA-N	1	0	360.487	1.377	20	30		FDEDRO
CC[C@H](C)C(=O)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129589816	938466260	/nfs/dbraw/zinc/46/62/60/938466260.db2.gz	ZLOMTPKSGZTESG-UHOSZYNNSA-N	1	0	351.454	1.717	20	30		FDEDRO
CC[C@@H](OC)C(=O)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129655691	938482916	/nfs/dbraw/zinc/48/29/16/938482916.db2.gz	CYSDQGRGYNWFEJ-CEXWTWQISA-N	1	0	367.453	1.096	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]CCCc2cccc(F)c2)[C@@H](n2ccnn2)C1	ZINC001129677207	938490830	/nfs/dbraw/zinc/49/08/30/938490830.db2.gz	ACMOCLQGJIDPQT-QGTPRVQTSA-N	1	0	370.432	1.551	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1n1ccnn1	ZINC001129763264	938503581	/nfs/dbraw/zinc/50/35/81/938503581.db2.gz	YQYXXBXQRRDMJQ-MSOLQXFVSA-N	1	0	367.457	1.880	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccnc2C(N)=O)C1	ZINC001086624998	938507821	/nfs/dbraw/zinc/50/78/21/938507821.db2.gz	FLLITPOJWXEVNE-ZWKOTPCHSA-N	1	0	364.449	1.954	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H]([NH2+]CCOCC2CC2)[C@@H](n2ccnn2)C1	ZINC001129778606	938513923	/nfs/dbraw/zinc/51/39/23/938513923.db2.gz	XWWFUCIWKGHUKJ-MSOLQXFVSA-N	1	0	359.474	1.240	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H](O)C(C)C)C[C@@H]1n1ccnn1	ZINC001129803222	938516888	/nfs/dbraw/zinc/51/68/88/938516888.db2.gz	AWRGDCOMDKMWBP-IXDOHACOSA-N	1	0	351.495	1.607	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]Cc2cnccc2C)[C@@H](n2ccnn2)C1	ZINC001129829211	938523404	/nfs/dbraw/zinc/52/34/04/938523404.db2.gz	AWDCMTJGESTDMN-MSOLQXFVSA-N	1	0	352.442	1.327	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cn(C3CCC3)nn2)C[C@@H]1n1ccnn1	ZINC001129850063	938527043	/nfs/dbraw/zinc/52/70/43/938527043.db2.gz	OOKBVMUVJDZYAA-WBVHZDCISA-N	1	0	370.461	1.216	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)Cc2cccc(F)c2)C[C@@H]1n1ccnn1	ZINC001129849954	938527061	/nfs/dbraw/zinc/52/70/61/938527061.db2.gz	FDZVLJSEYZMSFW-LZQZEXGQSA-N	1	0	369.444	1.661	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cscc2C(F)F)C[C@@H]1n1ccnn1	ZINC001129849939	938527088	/nfs/dbraw/zinc/52/70/88/938527088.db2.gz	CXVGANANRPHEOF-KGLIPLIRSA-N	1	0	365.409	1.956	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2ccnc2CC)C[C@@H]1n1ccnn1	ZINC001129855972	938528707	/nfs/dbraw/zinc/52/87/07/938528707.db2.gz	SSXZTZIEGGAZSG-ZACQAIPSSA-N	1	0	369.473	1.053	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccncc2C)C[C@@H]1n1ccnn1	ZINC001129834246	938533495	/nfs/dbraw/zinc/53/34/95/938533495.db2.gz	RFDGBFCLOSOPGD-JQHSSLGASA-N	1	0	354.458	1.992	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC(C)C)nc2)C[C@@H]1n1ccnn1	ZINC001129881643	938537674	/nfs/dbraw/zinc/53/76/74/938537674.db2.gz	MYYUABXOLJWCQL-SJORKVTESA-N	1	0	368.441	1.139	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn(C(C)(C)C)c2C)C[C@@H]1n1ccnn1	ZINC001129884723	938539151	/nfs/dbraw/zinc/53/91/51/938539151.db2.gz	SMDZAUPNESIVSU-SJORKVTESA-N	1	0	371.489	1.769	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C2(CCOC)CC2)C[C@@H]1n1ccnn1	ZINC001129890213	938541224	/nfs/dbraw/zinc/54/12/24/938541224.db2.gz	BPWZKLKMFIVXRW-BBWFWOEESA-N	1	0	361.490	1.791	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc3c([nH]2)CCOC3)C[C@@H]1n1ccnn1	ZINC001129890421	938541481	/nfs/dbraw/zinc/54/14/81/938541481.db2.gz	HNMDTAXUUSMCLP-MSOLQXFVSA-N	1	0	370.457	1.300	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]([NH2+]CCOC(C)C)[C@@H](n2ccnn2)C1	ZINC001129867189	938543872	/nfs/dbraw/zinc/54/38/72/938543872.db2.gz	OQWDJOYKCJQGKJ-CABCVRRESA-N	1	0	369.897	1.823	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(CCC)s2)C[C@@H]1n1ccnn1	ZINC001129874835	938545905	/nfs/dbraw/zinc/54/59/05/938545905.db2.gz	QJSLGCFAFDERHS-CVEARBPZSA-N	1	0	357.483	1.971	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2C2CC2)C[C@@H]1n1ccnn1	ZINC001129875108	938546229	/nfs/dbraw/zinc/54/62/29/938546229.db2.gz	YXIJIDSMKMWIEE-SJORKVTESA-N	1	0	369.473	1.511	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3ccccc32)C[C@@H]1n1ccnn1	ZINC001129912438	938551263	/nfs/dbraw/zinc/55/12/63/938551263.db2.gz	GGQTVLGMCVQZPZ-ZCNNSNEGSA-N	1	0	363.465	1.763	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)n(CC)n2)C[C@@H]1n1ccnn1	ZINC001129894488	938555795	/nfs/dbraw/zinc/55/57/95/938555795.db2.gz	HTQHKZRKBCIEBS-AEFFLSMTSA-N	1	0	367.457	1.051	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C/C=C\c2cccc(F)c2)C[C@@H]1n1ccnn1	ZINC001129896006	938557397	/nfs/dbraw/zinc/55/73/97/938557397.db2.gz	NEVWYIUPMRZOQL-JVCKMAHQSA-N	1	0	367.428	1.886	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cnccc2C)C[C@@H]1n1ccnn1	ZINC001129897846	938558520	/nfs/dbraw/zinc/55/85/20/938558520.db2.gz	KAGGBODALJGGHS-UHOSZYNNSA-N	1	0	368.485	1.920	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3nc(C)oc3c2)C[C@@H]1n1ccnn1	ZINC001129900024	938559665	/nfs/dbraw/zinc/55/96/65/938559665.db2.gz	XEDZVRFBOFBWFX-SJORKVTESA-N	1	0	366.425	1.959	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2nccn2C)C[C@@H]1n1ccnn1	ZINC001129941054	938566439	/nfs/dbraw/zinc/56/64/39/938566439.db2.gz	HNNHDZLIWAIGQQ-BBWFWOEESA-N	1	0	371.489	1.341	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3ccnc3C2)C[C@@H]1n1ccnn1	ZINC001129918924	938567521	/nfs/dbraw/zinc/56/75/21/938567521.db2.gz	MFTMLKUQFYAFDB-BBWFWOEESA-N	1	0	369.473	1.045	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ncccc2CC)C[C@@H]1n1ccnn1	ZINC001129921202	938568626	/nfs/dbraw/zinc/56/86/26/938568626.db2.gz	VJWACVIYNIJZQD-SJORKVTESA-N	1	0	370.457	1.093	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccn3nccc23)C[C@@H]1n1ccnn1	ZINC001129923733	938569677	/nfs/dbraw/zinc/56/96/77/938569677.db2.gz	SYZVJMQBUUBZEH-WBVHZDCISA-N	1	0	351.414	1.157	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)cc2F)C[C@@H]1n1ccnn1	ZINC001129924685	938570364	/nfs/dbraw/zinc/57/03/64/938570364.db2.gz	GEGFVYPEJUYYFJ-SJORKVTESA-N	1	0	357.389	1.104	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)oc(C)c2C)C[C@@H]1n1ccnn1	ZINC001129926648	938571122	/nfs/dbraw/zinc/57/11/22/938571122.db2.gz	ATCPVJFPIORASR-SJORKVTESA-N	1	0	371.441	1.101	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(Cl)n(C)n2)C[C@@H]1n1ccnn1	ZINC001129928644	938571890	/nfs/dbraw/zinc/57/18/90/938571890.db2.gz	CVVPWBKLHJPPEI-KGLIPLIRSA-N	1	0	363.853	1.287	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(Cl)ccc2F)C[C@@H]1n1ccnn1	ZINC001129928926	938572595	/nfs/dbraw/zinc/57/25/95/938572595.db2.gz	VGWBPEUOJLLBSF-CVEARBPZSA-N	1	0	361.808	1.749	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2scnc2C(F)F)C[C@@H]1n1ccnn1	ZINC001129930616	938573057	/nfs/dbraw/zinc/57/30/57/938573057.db2.gz	NEAJEVZVFROYSF-MNOVXSKESA-N	1	0	368.413	1.904	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2C)C[C@@H]1n1ccnn1	ZINC001129948919	938573588	/nfs/dbraw/zinc/57/35/88/938573588.db2.gz	GKZVHAXSPILGNY-SJORKVTESA-N	1	0	357.462	1.711	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c(C)c(C)n[nH]c2=O)C[C@@H]1n1ccnn1	ZINC001129952261	938575250	/nfs/dbraw/zinc/57/52/50/938575250.db2.gz	MCUIFUFHEFZQPO-CABCVRRESA-N	1	0	371.445	1.012	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C2(C3CC3)CCOCC2)C[C@@H]1n1ccnn1	ZINC001129945050	938580478	/nfs/dbraw/zinc/58/04/78/938580478.db2.gz	APSDBLXQQLPUAV-SJORKVTESA-N	1	0	359.474	1.403	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)COCC(F)F)C[C@@H]1n1ccnn1	ZINC001129947616	938582284	/nfs/dbraw/zinc/58/22/84/938582284.db2.gz	JEEUFVCGKZZFQF-MJBXVCDLSA-N	1	0	357.405	1.256	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H]([NH2+]CCOCC(C)C)[C@@H](n2ccnn2)C1	ZINC001129972677	938591612	/nfs/dbraw/zinc/59/16/12/938591612.db2.gz	IMFWRCHAYUUJMS-MSOLQXFVSA-N	1	0	361.490	1.486	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2c(C)nc[nH]c2=O)C[C@@H]1n1ccnn1	ZINC001129972968	938591841	/nfs/dbraw/zinc/59/18/41/938591841.db2.gz	UMZQRLIFIKAORR-YUELXQCFSA-N	1	0	371.445	1.092	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cn(C)nc2C)[C@@H](n2ccnn2)C1	ZINC001129978139	938593769	/nfs/dbraw/zinc/59/37/69/938593769.db2.gz	SLPQEKQIYDCRAQ-OLMNPRSZSA-N	1	0	371.489	1.464	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccncc2)C(C)C)C[C@@H]1n1ccnn1	ZINC001129978227	938594064	/nfs/dbraw/zinc/59/40/64/938594064.db2.gz	WFLCVIKHFOYXCG-CEXWTWQISA-N	1	0	366.469	1.478	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnc3n2CCCC3)C[C@@H]1n1ccnn1	ZINC001129975999	938600319	/nfs/dbraw/zinc/60/03/19/938600319.db2.gz	CFLJXFCHAVGJMT-WBVHZDCISA-N	1	0	369.473	1.432	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ocnc2CC)C[C@@H]1n1ccnn1	ZINC001129997461	938605539	/nfs/dbraw/zinc/60/55/39/938605539.db2.gz	NLIKAZGWBOLKGZ-IMJJTQAJSA-N	1	0	358.446	1.839	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC(F)(F)C2)C[C@@H]1n1ccnn1	ZINC001130002733	938609270	/nfs/dbraw/zinc/60/92/70/938609270.db2.gz	PONBRBPDCPXQGO-KFWWJZLASA-N	1	0	351.401	1.468	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCn3c(C(C)C)nnc3[C@@H]2C)CC1	ZINC000804892769	938610737	/nfs/dbraw/zinc/61/07/37/938610737.db2.gz	XNMMPTSIYFGVQS-AWEZNQCLSA-N	1	0	374.489	1.071	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc(Cl)c2F)C[C@@H]1n1ccnn1	ZINC001129988406	938611295	/nfs/dbraw/zinc/61/12/95/938611295.db2.gz	OVRDHYZEDRUWIY-CABCVRRESA-N	1	0	361.808	1.749	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cccnc2OC)C[C@@H]1n1ccnn1	ZINC001129990017	938612039	/nfs/dbraw/zinc/61/20/39/938612039.db2.gz	IFJYZNYOBKGDFM-OIISXLGYSA-N	1	0	370.457	1.692	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)CCO3)C[C@@H]1n1ccnn1	ZINC001130015200	938616682	/nfs/dbraw/zinc/61/66/82/938616682.db2.gz	MMQRIADXHVLKEE-MSOLQXFVSA-N	1	0	367.453	1.835	20	30		FDEDRO
C#CCCCS(=O)(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000804950487	938621267	/nfs/dbraw/zinc/62/12/67/938621267.db2.gz	CYKZBMVPUKESPJ-UHFFFAOYSA-N	1	0	363.527	1.657	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc[nH]c2C2CCC2)C[C@@H]1n1ccnn1	ZINC001130005754	938623040	/nfs/dbraw/zinc/62/30/40/938623040.db2.gz	GNPCLXIGUWZWOB-SJORKVTESA-N	1	0	352.442	1.552	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ncsc2C2CC2)C[C@@H]1n1ccnn1	ZINC001130006136	938623626	/nfs/dbraw/zinc/62/36/26/938623626.db2.gz	UYNVRLJKBVNJID-KGLIPLIRSA-N	1	0	358.471	1.843	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2nccc3[nH]ccc32)C[C@@H]1n1ccnn1	ZINC001130009338	938626136	/nfs/dbraw/zinc/62/61/36/938626136.db2.gz	JXOIIDNRXVOIPQ-SJORKVTESA-N	1	0	365.441	1.776	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2F)C[C@@H]1n1ccnn1	ZINC001130034413	938634677	/nfs/dbraw/zinc/63/46/77/938634677.db2.gz	OGBRIGZIGPQBOT-ISARSNTHSA-N	1	0	367.428	1.586	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCO[C@H]2C(=C)C)C[C@@H]1n1ccnn1	ZINC001130037935	938635761	/nfs/dbraw/zinc/63/57/61/938635761.db2.gz	DDRIEVOOXYNPER-MHORFTMASA-N	1	0	359.474	1.567	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)c2c(C)noc2C)C[C@@H]1n1ccnn1	ZINC001130038095	938636039	/nfs/dbraw/zinc/63/60/39/938636039.db2.gz	LOGGWUJDBUJKTF-ZACQAIPSSA-N	1	0	370.457	1.442	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(Cl)ccc2C)C[C@@H]1n1ccnn1	ZINC001130054511	938639633	/nfs/dbraw/zinc/63/96/33/938639633.db2.gz	FWNKWMCHZYJMDJ-SJORKVTESA-N	1	0	357.845	1.919	20	30		FDEDRO
C#CCCCS(=O)(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1	ZINC000804993588	938641547	/nfs/dbraw/zinc/64/15/47/938641547.db2.gz	RDUPFZWKNMMNPL-UHFFFAOYSA-N	1	0	350.484	1.994	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCCOC2)C[C@@H]1n1ccnn1	ZINC001130062531	938650674	/nfs/dbraw/zinc/65/06/74/938650674.db2.gz	JUQGLAFELACNFX-KURKYZTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc3ccncc32)C[C@@H]1n1ccnn1	ZINC001130065327	938652971	/nfs/dbraw/zinc/65/29/71/938652971.db2.gz	GMANILYAPYXUJS-MOPGFXCFSA-N	1	0	360.421	1.505	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3sccc3[nH]2)C[C@@H]1n1ccnn1	ZINC001130070679	938657943	/nfs/dbraw/zinc/65/79/43/938657943.db2.gz	DSOXMCJKUYGDBU-CABCVRRESA-N	1	0	354.439	1.500	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2cnccn2)C[C@@H]1n1ccnn1	ZINC001130071277	938658036	/nfs/dbraw/zinc/65/80/36/938658036.db2.gz	LGUBZXQEESPLGU-JQHSSLGASA-N	1	0	369.473	1.397	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2cccc(COC)c2)C[C@@H]1n1ccnn1	ZINC001130081316	938662643	/nfs/dbraw/zinc/66/26/43/938662643.db2.gz	IUDDTMLJVUZORK-MOPGFXCFSA-N	1	0	369.469	1.585	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)COCCCOC)C[C@@H]1n1ccnn1	ZINC001130077284	938670285	/nfs/dbraw/zinc/67/02/85/938670285.db2.gz	AEFFCNMCRHSHSU-ZACQAIPSSA-N	1	0	365.478	1.027	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]CC/C=C/CC)[C@@H](n3ccnn3)C2)nc1	ZINC001130094428	938679136	/nfs/dbraw/zinc/67/91/36/938679136.db2.gz	KNNTVSRSAGRXGM-YSKLNCTFSA-N	1	0	364.453	1.666	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CC(C)(C)CO2)C[C@@H]1n1ccnn1	ZINC001130102156	938684097	/nfs/dbraw/zinc/68/40/97/938684097.db2.gz	KDLIFBMCWYRGPK-BBWFWOEESA-N	1	0	359.474	1.238	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)ccc2C)C[C@@H]1n1ccnn1	ZINC001130102131	938684120	/nfs/dbraw/zinc/68/41/20/938684120.db2.gz	IIXJRFJCOGBESS-MOPGFXCFSA-N	1	0	367.453	1.200	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)C(C)(C)C)C[C@@H]1n1ccnn1	ZINC001130104931	938685659	/nfs/dbraw/zinc/68/56/59/938685659.db2.gz	CBLDNIMAPWRKNP-ZACQAIPSSA-N	1	0	363.506	1.895	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3[nH]ccc3s2)C[C@@H]1n1ccnn1	ZINC001130104914	938685690	/nfs/dbraw/zinc/68/56/90/938685690.db2.gz	BHAUHNNCKRQWGK-KGLIPLIRSA-N	1	0	354.439	1.500	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2OCc3ccccc32)C[C@@H]1n1ccnn1	ZINC001130107550	938687563	/nfs/dbraw/zinc/68/75/63/938687563.db2.gz	QSYIDHONBNFQPV-QYZOEREBSA-N	1	0	367.453	1.857	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]([NH2+]CC3CC3)[C@@H](n3ccnn3)C2)CCOCC1	ZINC001130109577	938688483	/nfs/dbraw/zinc/68/84/83/938688483.db2.gz	BMUOBMGSAYHVEG-SJORKVTESA-N	1	0	359.474	1.403	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn(CC(C)C)c2C)C[C@@H]1n1ccnn1	ZINC001130109933	938688748	/nfs/dbraw/zinc/68/87/48/938688748.db2.gz	LUDAAHZSWBQZCP-MSOLQXFVSA-N	1	0	371.489	1.670	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]([NH2+]CCCF)[C@@H](n3ccnn3)C2)CCOCC1	ZINC001130110006	938688956	/nfs/dbraw/zinc/68/89/56/938688956.db2.gz	PGVKPXNQKOJPFT-CVEARBPZSA-N	1	0	365.453	1.352	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130112665	938692338	/nfs/dbraw/zinc/69/23/38/938692338.db2.gz	LFSZNGGOUZHUPT-QRQLOZEOSA-N	1	0	351.454	1.837	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(OCC)cc2)C[C@@H]1n1ccnn1	ZINC001130115168	938694488	/nfs/dbraw/zinc/69/44/88/938694488.db2.gz	XOTPRHIIWTZWHX-MOPGFXCFSA-N	1	0	369.469	1.837	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH]nc3C2)C[C@@H]1n1ccnn1	ZINC001130129701	938699179	/nfs/dbraw/zinc/69/91/79/938699179.db2.gz	SQTCBHPIAIPMKF-OLMNPRSZSA-N	1	0	369.473	1.114	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(COC)cc2)C[C@@H]1n1ccnn1	ZINC001130119103	938701971	/nfs/dbraw/zinc/70/19/71/938701971.db2.gz	WFUPZFKCZMGAIK-MSOLQXFVSA-N	1	0	355.442	1.656	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CC=C(C)CC2)C[C@@H]1n1ccnn1	ZINC001130132850	938707676	/nfs/dbraw/zinc/70/76/76/938707676.db2.gz	SPTUQQWDHSBOJS-WSTZPKSXSA-N	1	0	371.485	1.406	20	30		FDEDRO
C=CC[C@H](C(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1)c1ccccc1	ZINC001130132835	938707780	/nfs/dbraw/zinc/70/77/80/938707780.db2.gz	RYDBKJDDFVOLRK-KSZLIROESA-N	1	0	357.433	1.949	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1n1ccnn1	ZINC001130151030	938715703	/nfs/dbraw/zinc/71/57/03/938715703.db2.gz	GKIIQOCBPWPAGX-SJORKVTESA-N	1	0	359.478	1.487	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2C2CC2)C[C@@H]1n1ccnn1	ZINC001130153177	938716968	/nfs/dbraw/zinc/71/69/68/938716968.db2.gz	CDNNTQFCCXBXNB-SJORKVTESA-N	1	0	369.473	1.511	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](OC)c2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001130158799	938720065	/nfs/dbraw/zinc/72/00/65/938720065.db2.gz	RVRZTZBXHNNAHU-SQNIBIBYSA-N	1	0	371.416	1.170	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2c(C)nn(C)c2C)C[C@@H]1n1ccnn1	ZINC001130160996	938721420	/nfs/dbraw/zinc/72/14/20/938721420.db2.gz	LWRGECVCUDLZEO-XKQJLSEDSA-N	1	0	371.489	1.350	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CC2CCC(OC)CC2)C[C@@H]1n1ccnn1	ZINC001130163907	938722283	/nfs/dbraw/zinc/72/22/83/938722283.db2.gz	XLLQBBPHIKABFZ-HIEASXQVSA-N	1	0	359.474	1.238	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCOC)[nH]1	ZINC001130175258	938723660	/nfs/dbraw/zinc/72/36/60/938723660.db2.gz	GHNXBWGRMXEXSL-KKUMJFAQSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCCO2)[nH]1	ZINC001130181702	938728909	/nfs/dbraw/zinc/72/89/09/938728909.db2.gz	QZMHVTREWFOUEN-ZNMIVQPWSA-N	1	0	363.462	1.028	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccncc2)[nH]1	ZINC001130181887	938729170	/nfs/dbraw/zinc/72/91/70/938729170.db2.gz	VXISCXKWCMVFDX-GJZGRUSLSA-N	1	0	356.430	1.168	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H](C)OC)[nH]1	ZINC001130193121	938737831	/nfs/dbraw/zinc/73/78/31/938737831.db2.gz	JMIMSDLDMFAFFN-KKUMJFAQSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CC(F)(F)C2)[nH]1	ZINC001130198607	938740747	/nfs/dbraw/zinc/74/07/47/938740747.db2.gz	QRZOPSMKGNHFPM-STQMWFEESA-N	1	0	369.416	1.504	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCC(C)=O)[nH]1	ZINC001130182762	938741768	/nfs/dbraw/zinc/74/17/68/938741768.db2.gz	AJYSXGSFQHIADF-GJZGRUSLSA-N	1	0	363.462	1.218	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccoc2C)[nH]1	ZINC001130182831	938741969	/nfs/dbraw/zinc/74/19/69/938741969.db2.gz	DOGYBWJTPHCHEP-GJZGRUSLSA-N	1	0	359.430	1.674	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[C@H](C)OC)[nH]1	ZINC001130204637	938745459	/nfs/dbraw/zinc/74/54/59/938745459.db2.gz	AMKPQJXLSJFNEA-KKUMJFAQSA-N	1	0	365.478	1.274	20	30		FDEDRO
C#CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CCC2)[nH]1	ZINC001130210078	938747987	/nfs/dbraw/zinc/74/79/87/938747987.db2.gz	VNIDNSLEQUWZMQ-HOTGVXAUSA-N	1	0	359.474	1.487	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccncc2C)[nH]1	ZINC001130212893	938749944	/nfs/dbraw/zinc/74/99/44/938749944.db2.gz	JNXGLZCPYQHTMC-HOTGVXAUSA-N	1	0	370.457	1.476	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cccc(C)c2F)n1	ZINC001130213077	938749959	/nfs/dbraw/zinc/74/99/59/938749959.db2.gz	SLXYEJHLRZJXQN-ZFWWWQNUSA-N	1	0	371.416	1.278	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2=CCCC2)n1	ZINC001130200501	938754138	/nfs/dbraw/zinc/75/41/38/938754138.db2.gz	MEOHZSYVZUTICJ-KBPBESRZSA-N	1	0	365.865	1.746	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)COCC=C)[nH]1	ZINC001130202907	938755503	/nfs/dbraw/zinc/75/55/03/938755503.db2.gz	NWKKPLKUGAYAIF-GJZGRUSLSA-N	1	0	363.462	1.052	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)[nH]1	ZINC001130222745	938757101	/nfs/dbraw/zinc/75/71/01/938757101.db2.gz	CUGZJNZIOBQUIO-JJXSEGSLSA-N	1	0	373.501	1.589	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C/C=C(\C)C=C)[nH]1	ZINC001130227484	938761013	/nfs/dbraw/zinc/76/10/13/938761013.db2.gz	AIGSEGGLRQNCTK-JEYQBLLFSA-N	1	0	357.458	1.429	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(CCC)CCC2)n1	ZINC001130227493	938761288	/nfs/dbraw/zinc/76/12/88/938761288.db2.gz	AVLVHTOTZMZKPJ-GJZGRUSLSA-N	1	0	359.474	1.487	20	30		FDEDRO
C=C[C@H](CC)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCOC)[nH]1	ZINC001130232692	938764967	/nfs/dbraw/zinc/76/49/67/938764967.db2.gz	NZQTWAACRFLFRV-ILXRZTDVSA-N	1	0	365.478	1.132	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(CCC)CC2)n1	ZINC001130232600	938765103	/nfs/dbraw/zinc/76/51/03/938765103.db2.gz	KNEZHYABZGIVAZ-GJZGRUSLSA-N	1	0	359.474	1.487	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CCC(F)CC2)n1	ZINC001130235040	938766229	/nfs/dbraw/zinc/76/62/29/938766229.db2.gz	RZYFEMOLCBOTGQ-WUCCLRPBSA-N	1	0	363.437	1.045	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)(C)C2CC2)n1	ZINC001130235233	938766521	/nfs/dbraw/zinc/76/65/21/938766521.db2.gz	ZXVWXOCVNHUSLA-GJZGRUSLSA-N	1	0	359.474	1.343	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](CC)CCC)n1	ZINC001130244140	938770228	/nfs/dbraw/zinc/77/02/28/938770228.db2.gz	BOLYMSQMUNHJAF-JYJNAYRXSA-N	1	0	361.490	1.733	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2oncc2C)[nH]1	ZINC001130245224	938770988	/nfs/dbraw/zinc/77/09/88/938770988.db2.gz	WBYITHVIMFWCHV-STQMWFEESA-N	1	0	360.418	1.069	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(CC)cc2)n1	ZINC001130249207	938773728	/nfs/dbraw/zinc/77/37/28/938773728.db2.gz	PGORDMYGXUMIGK-IRXDYDNUSA-N	1	0	367.453	1.392	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](CC)SC)CC1	ZINC001130281643	938779469	/nfs/dbraw/zinc/77/94/69/938779469.db2.gz	LAOSGJYBRZZFLK-INMHGKMJSA-N	1	0	351.516	1.237	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)SC)CC1	ZINC001130274406	938786504	/nfs/dbraw/zinc/78/65/04/938786504.db2.gz	MLPLZUGYFPRQGL-LXZKKBNFSA-N	1	0	353.532	1.789	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CSC(C)C)CC1	ZINC001130274565	938786692	/nfs/dbraw/zinc/78/66/92/938786692.db2.gz	UHCNBGOPNPFLTA-APWZRJJASA-N	1	0	365.543	1.627	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)OCC)CC1	ZINC001130276520	938787350	/nfs/dbraw/zinc/78/73/50/938787350.db2.gz	DDKMRVYIBDCVRK-KYJSFNMBSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)OCC)CC1	ZINC001130276543	938787497	/nfs/dbraw/zinc/78/74/97/938787497.db2.gz	FBWIPGGIUKANGU-WDYCEAGBSA-N	1	0	365.518	1.853	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](CC)OCC)CC1	ZINC001130278752	938788781	/nfs/dbraw/zinc/78/87/81/938788781.db2.gz	AENDNZHAWFBMKW-LMMKCTJWSA-N	1	0	363.502	1.300	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](CC)OCC)CC1	ZINC001130278999	938789334	/nfs/dbraw/zinc/78/93/34/938789334.db2.gz	OXROPBMYDUYJNH-AOIWGVFYSA-N	1	0	365.518	1.853	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[C@@H](C)OC)CC1	ZINC001130286141	938791147	/nfs/dbraw/zinc/79/11/47/938791147.db2.gz	ZFCFHCJSRCDHNW-MDYRTPRTSA-N	1	0	363.502	1.300	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@H](C)O)CC1	ZINC001130290938	938795702	/nfs/dbraw/zinc/79/57/02/938795702.db2.gz	QWRRNZGADBSDHR-GMBSWORKSA-N	1	0	351.491	1.199	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](OCC)C(C)C)CC1	ZINC001130291164	938795890	/nfs/dbraw/zinc/79/58/90/938795890.db2.gz	ZNQVWZNLXRRLMO-NZSAHSFTSA-N	1	0	365.518	1.709	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](OC)C2CCC2)CC1	ZINC001130293105	938796784	/nfs/dbraw/zinc/79/67/84/938796784.db2.gz	MCCMTDSOEGWXAN-NEWSRXKRSA-N	1	0	363.502	1.463	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@H](C)O)CC1	ZINC001130295604	938797927	/nfs/dbraw/zinc/79/79/27/938797927.db2.gz	JQZJYSGEJMBPLS-VPWXQRGCSA-N	1	0	363.502	1.036	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](F)C(C)C)CC1	ZINC001130298765	938799005	/nfs/dbraw/zinc/79/90/05/938799005.db2.gz	FRGAAKPNUHVBPY-NJAFHUGGSA-N	1	0	351.466	1.479	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](OC)C(C)C)CC1	ZINC001130298943	938799310	/nfs/dbraw/zinc/79/93/10/938799310.db2.gz	NRTJAVSYJFMJMC-NEWSRXKRSA-N	1	0	365.518	1.709	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@H](C)COC)CC1	ZINC001130305178	938803335	/nfs/dbraw/zinc/80/33/35/938803335.db2.gz	MLVFSYMOYODOBU-VPWXQRGCSA-N	1	0	363.502	1.158	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccncc1	ZINC000805810838	938831198	/nfs/dbraw/zinc/83/11/98/938831198.db2.gz	JAJMRBKHVJWUPN-WMZOPIPTSA-N	1	0	356.470	1.759	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@]23C[C@H]2CCC3)C1	ZINC001130401820	938836658	/nfs/dbraw/zinc/83/66/58/938836658.db2.gz	NVNNQZUUISIROW-XAUMDUMWSA-N	1	0	356.470	1.655	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)n2cccn2)C[C@H]1c1cn(C)cn1	ZINC001130509839	938888842	/nfs/dbraw/zinc/88/88/42/938888842.db2.gz	RUXPLASTWRNJAU-SOLBZPMBSA-N	1	0	356.474	1.728	20	30		FDEDRO
CN(CC[NH3+])CCNc1ncc2c(c1C#N)N(Cc1ccccc1)CC2	ZINC001170499916	938900934	/nfs/dbraw/zinc/90/09/34/938900934.db2.gz	YFZFYRJVXBKZPE-UHFFFAOYSA-N	1	0	350.470	1.818	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@@H](CC)OC)C1	ZINC001130573807	939874139	/nfs/dbraw/zinc/87/41/39/939874139.db2.gz	AGZCPGWPWKNJHI-ZIFCJYIRSA-N	1	0	360.502	1.923	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2cncnc2)C[C@H]1c1cn(C)cn1	ZINC001130574242	939874817	/nfs/dbraw/zinc/87/48/17/939874817.db2.gz	PDXKIJZHBCXYDW-FUHWJXTLSA-N	1	0	354.458	1.303	20	30		FDEDRO
CCc1[nH]ccc1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#CCOC)C1	ZINC001130575915	939878834	/nfs/dbraw/zinc/87/88/34/939878834.db2.gz	AODWXUXRLFJQKI-QFBILLFUSA-N	1	0	369.469	1.158	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC[C@H]2CCOC2)C1	ZINC001130578110	939880699	/nfs/dbraw/zinc/88/06/99/939880699.db2.gz	FBTYOJKRRHTEFK-JENIJYKNSA-N	1	0	358.486	1.534	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3c(C)noc3C)C2)C1=O	ZINC001086641204	939889215	/nfs/dbraw/zinc/88/92/15/939889215.db2.gz	ZOFXVXUDOQVICX-XHSDSOJGSA-N	1	0	360.458	1.566	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@@H]2C(F)F)C[C@H]1c1cn(C)cn1	ZINC001130578536	939891073	/nfs/dbraw/zinc/89/10/73/939891073.db2.gz	RIIDVYDYKIVHRD-RZLSGREXSA-N	1	0	368.428	1.408	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2nnc(C)[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130590203	939896081	/nfs/dbraw/zinc/89/60/81/939896081.db2.gz	DWNQNCHKXFSPSW-JLJPHGGASA-N	1	0	371.489	1.328	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3cn[nH]c32)C[C@H]1c1cn(C)cn1	ZINC001130590305	939896625	/nfs/dbraw/zinc/89/66/25/939896625.db2.gz	JKMIRNTUDKFBJQ-SOLBZPMBSA-N	1	0	366.469	1.171	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC/C=C\CC)C1	ZINC001130592869	939899907	/nfs/dbraw/zinc/89/99/07/939899907.db2.gz	IYFQKHBDWYNESM-CLMIYTTESA-N	1	0	358.486	1.699	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C/C=C/Cl)C1	ZINC001130593124	939900230	/nfs/dbraw/zinc/90/02/30/939900230.db2.gz	QXJIDSLMPWCZGO-SFXWEKPVSA-N	1	0	350.850	1.095	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(CC)CC)C1	ZINC001130593195	939900267	/nfs/dbraw/zinc/90/02/67/939900267.db2.gz	VDJPGXNSUUJQJV-HHXXYDBFSA-N	1	0	360.502	1.779	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CC=CCC2)C[C@H]1c1cn(C)cn1	ZINC001130599156	939904712	/nfs/dbraw/zinc/90/47/12/939904712.db2.gz	LIHBYSCCKGCMTG-FBBABVLZSA-N	1	0	370.497	1.700	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCOC)C1	ZINC001130608147	939905740	/nfs/dbraw/zinc/90/57/40/939905740.db2.gz	ZLKGDCMINNZAIQ-FUHWJXTLSA-N	1	0	371.485	1.642	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCC=C)C1	ZINC001130610274	939907467	/nfs/dbraw/zinc/90/74/67/939907467.db2.gz	FVLNVMWLXNTPIQ-SXLOBPIMSA-N	1	0	369.513	1.368	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+][C@H](C)COC)C2)CCC1	ZINC001130609990	939907599	/nfs/dbraw/zinc/90/75/99/939907599.db2.gz	FCNRWXSUILRPBH-SOLBZPMBSA-N	1	0	358.486	1.533	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2CC)C[C@H]1c1cn(C)cn1	ZINC001130609936	939907659	/nfs/dbraw/zinc/90/76/59/939907659.db2.gz	CDXVLHCAICWAOW-HNAYVOBHSA-N	1	0	370.501	1.880	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]C[C@@H](C)OC)C2)CCC1	ZINC001130610783	939908336	/nfs/dbraw/zinc/90/83/36/939908336.db2.gz	QOSZDGKHBHIITG-SOLBZPMBSA-N	1	0	358.486	1.533	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC=C)C2)CCOCC1	ZINC001130611142	939908737	/nfs/dbraw/zinc/90/87/37/939908737.db2.gz	ZUSBVMHHJFWJNG-FUHWJXTLSA-N	1	0	356.470	1.310	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc3ncnn32)C[C@H]1c1cn(C)cn1	ZINC001130623831	939921898	/nfs/dbraw/zinc/92/18/98/939921898.db2.gz	ISVMJOYGUUWSGF-GOEBONIOSA-N	1	0	365.441	1.237	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC23CC3)C[C@H]1c1cn(C)cn1	ZINC001130617297	939928952	/nfs/dbraw/zinc/92/89/52/939928952.db2.gz	WZUDLMZOHFLWBK-JENIJYKNSA-N	1	0	370.497	1.534	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(F)cn2)C[C@H]1c1cn(C)cn1	ZINC001130619436	939930092	/nfs/dbraw/zinc/93/00/92/939930092.db2.gz	RGFCNUYUTLMOJC-FUHWJXTLSA-N	1	0	355.417	1.104	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)nnc2CC)C[C@H]1c1cn(C)cn1	ZINC001130619274	939930143	/nfs/dbraw/zinc/93/01/43/939930143.db2.gz	JTWVNNACZGIOQE-QFBILLFUSA-N	1	0	366.469	1.302	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)nc2)C[C@H]1c1cn(C)cn1	ZINC001130621723	939931309	/nfs/dbraw/zinc/93/13/09/939931309.db2.gz	ARYKPSOLAUCFKA-FUHWJXTLSA-N	1	0	368.485	1.655	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(=O)[nH]c2)C[C@H]1c1cn(C)cn1	ZINC001130632529	939935996	/nfs/dbraw/zinc/93/59/96/939935996.db2.gz	DPETUHZGPSERLA-DOTOQJQBSA-N	1	0	355.442	1.224	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2coc(OC)n2)C[C@H]1c1cn(C)cn1	ZINC001130635049	939937121	/nfs/dbraw/zinc/93/71/21/939937121.db2.gz	GTADKWOOGOPQDK-DZGCQCFKSA-N	1	0	359.430	1.581	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#CCOC)C1	ZINC001130656182	939960325	/nfs/dbraw/zinc/96/03/25/939960325.db2.gz	CLFXMBLEMQSKOA-ZIFCJYIRSA-N	1	0	358.486	1.556	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnn(C)c2)C1	ZINC001130657013	939961082	/nfs/dbraw/zinc/96/10/82/939961082.db2.gz	VFXHIAPAYDAASY-VDZJLULYSA-N	1	0	370.501	1.840	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC#CCOC)C2)CCC1	ZINC001130662363	939967482	/nfs/dbraw/zinc/96/74/82/939967482.db2.gz	UXMUCIVZXIRHEH-PKOBYXMFSA-N	1	0	370.497	1.700	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ncsc2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130672679	939972058	/nfs/dbraw/zinc/97/20/58/939972058.db2.gz	WLEDOBXMSQAMHO-GOEBONIOSA-N	1	0	369.494	1.975	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)nc(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130692533	939981363	/nfs/dbraw/zinc/98/13/63/939981363.db2.gz	PFFZDTJPLSZHCG-MAUKXSAKSA-N	1	0	352.442	1.048	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn3ccccc23)C[C@H]1c1cn(C)cn1	ZINC001130692646	939981582	/nfs/dbraw/zinc/98/15/82/939981582.db2.gz	VWSZWBYZGSHULU-FUHWJXTLSA-N	1	0	362.437	1.289	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)c(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130695214	939989755	/nfs/dbraw/zinc/98/97/55/939989755.db2.gz	GVZPZBIKKMJYMB-PKOBYXMFSA-N	1	0	366.465	1.958	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccncn2)C[C@H]1c1cn(C)cn1	ZINC001130695107	939989795	/nfs/dbraw/zinc/98/97/95/939989795.db2.gz	DZMYHSQIMUOZRL-RLFYNMQTSA-N	1	0	354.458	1.763	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1c1cn(C)cn1	ZINC001130698538	939992770	/nfs/dbraw/zinc/99/27/70/939992770.db2.gz	MWHMSKULALUQTR-GOEBONIOSA-N	1	0	353.898	1.398	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130712957	939999880	/nfs/dbraw/zinc/99/98/80/939999880.db2.gz	UVWFCSUNYWNZKL-GOEBONIOSA-N	1	0	354.458	1.028	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cccc2)C[C@H]1c1cn(C)cn1	ZINC001130714726	940006209	/nfs/dbraw/zinc/00/62/09/940006209.db2.gz	IFAXZQDYISXKHA-JENIJYKNSA-N	1	0	353.470	1.780	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2oc(CC)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130708497	940014358	/nfs/dbraw/zinc/01/43/58/940014358.db2.gz	UAEOGLCVAUUTDY-GOEBONIOSA-N	1	0	355.442	1.500	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2scnc2Cl)C[C@H]1c1cn(C)cn1	ZINC001130728956	940017569	/nfs/dbraw/zinc/01/75/69/940017569.db2.gz	PTBGHKRGFLMSHA-WCQYABFASA-N	1	0	363.874	1.751	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2sccc2OC)C[C@H]1c1cn(C)cn1	ZINC001130719167	940021922	/nfs/dbraw/zinc/02/19/22/940021922.db2.gz	AJPGSBDPCIPKRP-DZGCQCFKSA-N	1	0	358.467	1.711	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)cc2)C[C@H]1c1cn(C)cn1	ZINC001130719454	940022882	/nfs/dbraw/zinc/02/28/82/940022882.db2.gz	RJRAREDWMHMHCQ-AZUAARDMSA-N	1	0	365.481	1.707	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)C(N)=O)C[C@H]1c1cn(C)cn1	ZINC001130739345	940040715	/nfs/dbraw/zinc/04/07/15/940040715.db2.gz	BTLVOPKMYDWHFS-YQQAZPJKSA-N	1	0	361.490	1.028	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC[C@H](C)F)C1	ZINC001130741537	940042751	/nfs/dbraw/zinc/04/27/51/940042751.db2.gz	HOBOEYIYXZBEMF-YQQAZPJKSA-N	1	0	352.454	1.645	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccncc3)n2)O1	ZINC001130749445	940055957	/nfs/dbraw/zinc/05/59/57/940055957.db2.gz	HQVMUSVBMZWELY-JKSUJKDBSA-N	1	0	370.457	1.906	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)/C=C(/C)C3CC3)n2)O1	ZINC001130761782	940067145	/nfs/dbraw/zinc/06/71/45/940067145.db2.gz	GJXOAQNUMXOXQU-WLDSXTBVSA-N	1	0	357.458	1.610	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCSC)n2)O1	ZINC001130758133	940083226	/nfs/dbraw/zinc/08/32/26/940083226.db2.gz	SNEAQILBUBTNNO-QWHCGFSZSA-N	1	0	353.492	1.560	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(C)C)n2)O1	ZINC001130760105	940087698	/nfs/dbraw/zinc/08/76/98/940087698.db2.gz	YGPGYPLBLYPRME-UONOGXRCSA-N	1	0	351.451	1.089	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CO[C@@H](C)CC)n2)O1	ZINC001130775095	940091957	/nfs/dbraw/zinc/09/19/57/940091957.db2.gz	LCSHRDONDSHRRD-MELADBBJSA-N	1	0	351.451	1.232	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ncccc3C)n2)O1	ZINC001130775279	940092342	/nfs/dbraw/zinc/09/23/42/940092342.db2.gz	QNCIJBFQRYUEDA-LSDHHAIUSA-N	1	0	368.441	1.271	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCCOC3)n2)O1	ZINC001130765250	940094891	/nfs/dbraw/zinc/09/48/91/940094891.db2.gz	JSPXNYKWPXOCAU-QLFBSQMISA-N	1	0	363.462	1.233	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)OCC3CC3)n2)O1	ZINC001130765330	940095891	/nfs/dbraw/zinc/09/58/91/940095891.db2.gz	NURHBMVKYYHQNX-AEGPPILISA-N	1	0	363.462	1.232	20	30		FDEDRO
C=CCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C[C@@H](F)CC)O2)n[nH]1	ZINC001130767604	940102207	/nfs/dbraw/zinc/10/22/07/940102207.db2.gz	OJWKLXYIGNWRRU-MELADBBJSA-N	1	0	353.442	1.945	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)SC)n2)O1	ZINC001130767980	940102731	/nfs/dbraw/zinc/10/27/31/940102731.db2.gz	XGJPITQOMOGDPG-RWMBFGLXSA-N	1	0	353.492	1.558	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCCOCC)n2)O1	ZINC001130768016	940102759	/nfs/dbraw/zinc/10/27/59/940102759.db2.gz	YTMQRLHRCLWCFQ-LSDHHAIUSA-N	1	0	363.462	1.071	20	30		FDEDRO
C[C@H](C#N)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCC(C)(C)C)O2)n[nH]1	ZINC001130769760	940106909	/nfs/dbraw/zinc/10/69/09/940106909.db2.gz	NHSFTOVXGOPEAA-HZSPNIEDSA-N	1	0	362.478	1.826	20	30		FDEDRO
CC(C)(C)C#CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC3CC3)O2)n[nH]1	ZINC001130785074	940119463	/nfs/dbraw/zinc/11/94/63/940119463.db2.gz	CPIZQFRCBQRHEW-LSDHHAIUSA-N	1	0	359.474	1.690	20	30		FDEDRO
C#CCCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1	ZINC001130776820	940127180	/nfs/dbraw/zinc/12/71/80/940127180.db2.gz	MQPXYEZKVKTEOJ-UONOGXRCSA-N	1	0	351.426	1.394	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C#CC(C)(C)C)n2)O1	ZINC001130781048	940135557	/nfs/dbraw/zinc/13/55/57/940135557.db2.gz	MPSXZZSWOAHAKQ-LSDHHAIUSA-N	1	0	359.474	1.856	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C#CC(C)C)n2)O1	ZINC001130781075	940136124	/nfs/dbraw/zinc/13/61/24/940136124.db2.gz	NMTONJRZBYOWCX-UONOGXRCSA-N	1	0	365.865	1.643	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCO[C@H]3CC)n2)O1	ZINC001130793881	940144229	/nfs/dbraw/zinc/14/42/29/940144229.db2.gz	DUIADWDFAATDRK-LJISPDSOSA-N	1	0	363.462	1.232	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@]3(C)C[C@H]4C[C@H]4C3)n2)O1	ZINC001130794156	940145651	/nfs/dbraw/zinc/14/56/51/940145651.db2.gz	OIOWMCQZSQCDAJ-JRWXATFMSA-N	1	0	357.458	1.300	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C/C=C(/C)C=C)n2)O1	ZINC001130795861	940149043	/nfs/dbraw/zinc/14/90/43/940149043.db2.gz	BKVFXHCIQNUYHA-USCQQBMNSA-N	1	0	357.458	1.776	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@]3(C)C=CCC3)n2)O1	ZINC001130796462	940151601	/nfs/dbraw/zinc/15/16/01/940151601.db2.gz	SJOPWTCPNOPLRB-KHYOSLBOSA-N	1	0	357.458	1.610	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3C[C@@H]3C)n2)O1	ZINC001130796461	940152088	/nfs/dbraw/zinc/15/20/88/940152088.db2.gz	SGRMYTSEVQSQBZ-ZQDZILKHSA-N	1	0	363.462	1.089	20	30		FDEDRO
CC(C)[N@H+](CCO)CC1CCN(C(=O)C2(C#N)CCSCC2)CC1	ZINC000822897720	945299993	/nfs/dbraw/zinc/29/99/93/945299993.db2.gz	WQCXPBAUCFGTDQ-UHFFFAOYSA-N	1	0	353.532	1.965	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cccn3CC=C)n2)O1	ZINC001130790212	940163256	/nfs/dbraw/zinc/16/32/56/940163256.db2.gz	NBVYEXQBXJLMOU-GOEBONIOSA-N	1	0	370.457	1.718	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCCC34CC4)n2)O1	ZINC001130790294	940163472	/nfs/dbraw/zinc/16/34/72/940163472.db2.gz	RTECPHATKCYRSW-ARFHVFGLSA-N	1	0	371.485	1.834	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(CC#C)CCC3)n2)O1	ZINC001130790351	940164344	/nfs/dbraw/zinc/16/43/44/940164344.db2.gz	VPPUTDIGGMQMNT-LSDHHAIUSA-N	1	0	355.442	1.057	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(C)(C)COC)n2)O1	ZINC001130792607	940171740	/nfs/dbraw/zinc/17/17/40/940171740.db2.gz	MQSBHJHSEINENK-UONOGXRCSA-N	1	0	365.478	1.479	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cccnc3C)n2)O1	ZINC001130804543	940175370	/nfs/dbraw/zinc/17/53/70/940175370.db2.gz	ITDVMPCPNVQHRC-DZGCQCFKSA-N	1	0	356.430	1.434	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3C[C@H]3c3ccco3)n2)O1	ZINC001130807442	940182565	/nfs/dbraw/zinc/18/25/65/940182565.db2.gz	XWDCKBRHWGIIMA-DSJMHWKBSA-N	1	0	371.441	1.813	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@](C)(C=C)CC)n2)O1	ZINC001130802095	940196282	/nfs/dbraw/zinc/19/62/82/940196282.db2.gz	BPKOPMBNUAGDHP-QMTMVMCOSA-N	1	0	359.474	1.856	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccn(CC)c3C)n2)O1	ZINC001130802438	940198016	/nfs/dbraw/zinc/19/80/16/940198016.db2.gz	UMRITLMBIWCUHE-GOEBONIOSA-N	1	0	370.457	1.307	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc[nH]c3C3CC3)n2)O1	ZINC001130802414	940198081	/nfs/dbraw/zinc/19/80/81/940198081.db2.gz	SNDFJVIHWUCJMA-DZGCQCFKSA-N	1	0	368.441	1.383	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H](CC)C(C)C)n2)O1	ZINC001130817232	940221221	/nfs/dbraw/zinc/22/12/21/940221221.db2.gz	HKOZYJGRPRJOTO-HRCADAONSA-N	1	0	361.490	1.936	20	30		FDEDRO
Cn1cncc1[C@@H]1CN(C(=O)CSCC#N)C[C@H]1[NH2+]Cc1cccnc1	ZINC001130921041	940331150	/nfs/dbraw/zinc/33/11/50/940331150.db2.gz	UNJNRXLCQMBZIB-HZPDHXFCSA-N	1	0	370.482	1.156	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@H](C)c2cnccn2)C1	ZINC001130935787	940331984	/nfs/dbraw/zinc/33/19/84/940331984.db2.gz	LOQLPZNJKXVKIY-BFYDXBDKSA-N	1	0	354.458	1.822	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@@H](C)c2cnccn2)C1	ZINC001130935788	940332115	/nfs/dbraw/zinc/33/21/15/940332115.db2.gz	LOQLPZNJKXVKIY-ZMSDIMECSA-N	1	0	354.458	1.822	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1c1cncn1C	ZINC001130951346	940370731	/nfs/dbraw/zinc/37/07/31/940370731.db2.gz	HFODDPIZQQLJOI-NVXWUHKLSA-N	1	0	352.442	1.784	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cc(C)ncn2)C1	ZINC001130971636	940381013	/nfs/dbraw/zinc/38/10/13/940381013.db2.gz	WLHPUGSMVHWVRQ-QZTJIDSGSA-N	1	0	366.469	1.406	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C/C=C/Cl)C1	ZINC001130982670	940397457	/nfs/dbraw/zinc/39/74/57/940397457.db2.gz	ASGNGRCAQFPLOW-WWGQGKDUSA-N	1	0	352.866	1.384	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(CC)CC)C1	ZINC001130989204	940411649	/nfs/dbraw/zinc/41/16/49/940411649.db2.gz	XLHNPKRGULOTNL-KBAYOESNSA-N	1	0	360.502	1.779	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC/C=C/CC)C1	ZINC001130989263	940411677	/nfs/dbraw/zinc/41/16/77/940411677.db2.gz	ZOMLTLATQRAVSD-IKSUFZCESA-N	1	0	358.486	1.700	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccns2)C1	ZINC001130991275	940413617	/nfs/dbraw/zinc/41/36/17/940413617.db2.gz	BKSUCCOCSKDSHF-HZPDHXFCSA-N	1	0	357.483	1.620	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2C=C)C[C@H]1c1cncn1C	ZINC001130991465	940414073	/nfs/dbraw/zinc/41/40/73/940414073.db2.gz	MHDIIJVOFBGMES-MTNOOBJLSA-N	1	0	356.470	1.309	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)nn2)C[C@H]1c1cncn1C	ZINC001130986100	940423913	/nfs/dbraw/zinc/42/39/13/940423913.db2.gz	WQKNGPXGLMSWGM-NVXWUHKLSA-N	1	0	354.458	1.683	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(=O)NCC)C1	ZINC001131003554	940429709	/nfs/dbraw/zinc/42/97/09/940429709.db2.gz	JRSTXNWIBHHDOO-HUUCEWRRSA-N	1	0	361.490	1.043	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(OCC)nc2)C[C@H]1c1cncn1C	ZINC001131006243	940432668	/nfs/dbraw/zinc/43/26/68/940432668.db2.gz	SOTRQDPRUFJFBW-IAGOWNOFSA-N	1	0	367.453	1.435	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH]ccc-3n2)C[C@H]1c1cncn1C	ZINC001131017597	940438262	/nfs/dbraw/zinc/43/82/62/940438262.db2.gz	CBXXVLDCTAHCMX-CRAIPNDOSA-N	1	0	362.437	1.518	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCCC3)C[C@H]1c1cncn1C	ZINC001131018058	940439279	/nfs/dbraw/zinc/43/92/79/940439279.db2.gz	ZPJXLYMVRQMAHS-SJLPKXTDSA-N	1	0	366.469	1.174	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCCc2ncc(C)o2)C[C@H]1c1cncn1C	ZINC001131010236	940441209	/nfs/dbraw/zinc/44/12/09/940441209.db2.gz	FPYSBLSMDICUHE-IAGOWNOFSA-N	1	0	369.469	1.647	20	30		FDEDRO
CN1Cc2ccccc2[C@H](NC(=O)C(=O)NCc2cc(C#N)ccc2F)C1	ZINC000807674944	940452990	/nfs/dbraw/zinc/45/29/90/940452990.db2.gz	ATOIXVGJUSZQNP-GOSISDBHSA-N	1	0	366.396	1.616	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@]23CCC[C@H]2OCC3)C[C@H]1c1cncn1C	ZINC001131026062	940459453	/nfs/dbraw/zinc/45/94/53/940459453.db2.gz	RXLJEBGZQJVBBY-CIWUYKSXSA-N	1	0	356.470	1.287	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)ccc2OC)C[C@H]1c1cncn1C	ZINC001131026141	940459704	/nfs/dbraw/zinc/45/97/04/940459704.db2.gz	XHYJMMVYJCNLAM-QZTJIDSGSA-N	1	0	366.465	1.958	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2(CCF)CC2)C[C@H]1c1cncn1C	ZINC001131036012	940465220	/nfs/dbraw/zinc/46/52/20/940465220.db2.gz	XVNBFRCWTJHWQO-HZPDHXFCSA-N	1	0	364.465	1.647	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2ccnc(C)n2)C[C@H]1c1cncn1C	ZINC001131038306	940466496	/nfs/dbraw/zinc/46/64/96/940466496.db2.gz	LBVGBSMUMIRCRY-QZTJIDSGSA-N	1	0	366.469	1.059	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@@H](CC)OC)C1	ZINC001131051235	940474814	/nfs/dbraw/zinc/47/48/14/940474814.db2.gz	GMDVUDPBDQTHGE-KZNAEPCWSA-N	1	0	360.502	1.923	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cncn2C)C1	ZINC001131057465	940477752	/nfs/dbraw/zinc/47/77/52/940477752.db2.gz	JKGPJWZQBZUKLJ-KBAYOESNSA-N	1	0	370.501	1.840	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccnn2C)C1	ZINC001131059947	940478984	/nfs/dbraw/zinc/47/89/84/940478984.db2.gz	QJHAANJHFFCLMO-IAGOWNOFSA-N	1	0	356.474	1.594	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1c1cncn1C	ZINC001131051651	940480103	/nfs/dbraw/zinc/48/01/03/940480103.db2.gz	RTWFVTKYHCDURZ-MBBONTPASA-N	1	0	358.486	1.551	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnc(C)o2)C1	ZINC001131051649	940480203	/nfs/dbraw/zinc/48/02/03/940480203.db2.gz	RTOLZMRACKYDSO-QZTJIDSGSA-N	1	0	369.469	1.994	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccnn2C)C1	ZINC001131051693	940480347	/nfs/dbraw/zinc/48/03/47/940480347.db2.gz	UJYHHFFCEQGBFF-QZTJIDSGSA-N	1	0	368.485	1.431	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC#CCOC)C2)CCC1	ZINC001131064447	940486475	/nfs/dbraw/zinc/48/64/75/940486475.db2.gz	LDPDHABOBBEWBC-QZTJIDSGSA-N	1	0	370.497	1.700	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc3cccnn32)C[C@H]1c1cncn1C	ZINC001131083969	940489133	/nfs/dbraw/zinc/48/91/33/940489133.db2.gz	GABIUCRXNNWJDV-HUUCEWRRSA-N	1	0	365.441	1.237	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccnc(C3CC3)n2)C[C@H]1c1cncn1C	ZINC001131084279	940489222	/nfs/dbraw/zinc/48/92/22/940489222.db2.gz	QICVGAQUIUTOSQ-NVXWUHKLSA-N	1	0	364.453	1.309	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccnc2)C[C@H]1c1cncn1C	ZINC001131079699	940492231	/nfs/dbraw/zinc/49/22/31/940492231.db2.gz	PNKNRIXITQZFQI-WJFTUGDTSA-N	1	0	363.465	1.526	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccncc2Cl)C[C@H]1c1cncn1C	ZINC001131079748	940492432	/nfs/dbraw/zinc/49/24/32/940492432.db2.gz	SAGWYSHMNRKVFE-GDBMZVCRSA-N	1	0	357.845	1.690	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCO[C@H]2C(=C)C)C[C@H]1c1cncn1C	ZINC001131086620	940493760	/nfs/dbraw/zinc/49/37/60/940493760.db2.gz	WRIPNGYRSUARDP-FAJBIJEISA-N	1	0	358.486	1.861	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1)c1ccncc1	ZINC000805806176	945325778	/nfs/dbraw/zinc/32/57/78/945325778.db2.gz	JZXOURRWGILOKW-AEFFLSMTSA-N	1	0	358.486	1.909	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(C)nc(C)n2)C[C@H]1c1cncn1C	ZINC001131093786	940496607	/nfs/dbraw/zinc/49/66/07/940496607.db2.gz	JXXFJTSDDMUIFN-SJLPKXTDSA-N	1	0	368.485	1.991	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCC(=O)NCCC)C[C@H]1c1cncn1C	ZINC001131110685	940498425	/nfs/dbraw/zinc/49/84/25/940498425.db2.gz	UTIGXHCMWCJEDE-HZPDHXFCSA-N	1	0	361.490	1.187	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC[C@@H](C)F)C2)cn1	ZINC001131112620	940498973	/nfs/dbraw/zinc/49/89/73/940498973.db2.gz	IXGIKGQVKUDVDV-ZTFGCOKTSA-N	1	0	369.444	1.742	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCC(=O)NCCC)C[C@H]1c1cncn1C	ZINC001131112814	940499211	/nfs/dbraw/zinc/49/92/11/940499211.db2.gz	OLVWUSGCQAMGCO-HZPDHXFCSA-N	1	0	361.490	1.187	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]cc2C2CC2)C[C@H]1c1cncn1C	ZINC001131099911	940499573	/nfs/dbraw/zinc/49/95/73/940499573.db2.gz	ZZKCMJUTRYGFST-QZTJIDSGSA-N	1	0	351.454	1.847	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cnc2C)C[C@H]1c1cncn1C	ZINC001131117601	940504462	/nfs/dbraw/zinc/50/44/62/940504462.db2.gz	GTDNKCFXZVIGAW-NVXWUHKLSA-N	1	0	356.474	1.545	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COCc2ccccc2)C[C@H]1c1cncn1C	ZINC001131123560	940507152	/nfs/dbraw/zinc/50/71/52/940507152.db2.gz	LJJBNFPPYTXOCK-RTBURBONSA-N	1	0	366.465	1.544	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1c1cncn1C	ZINC001131123724	940507265	/nfs/dbraw/zinc/50/72/65/940507265.db2.gz	PXBBSXWKZSINHN-GDBMZVCRSA-N	1	0	370.457	1.011	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2COc3ccccc32)C[C@H]1c1cncn1C	ZINC001131136603	940513550	/nfs/dbraw/zinc/51/35/50/940513550.db2.gz	VJCOIABGFANWCP-FGTMMUONSA-N	1	0	364.449	1.504	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)C1CCCC1	ZINC000808059212	940514643	/nfs/dbraw/zinc/51/46/43/940514643.db2.gz	OIOGSMPIYSNNTJ-MOPGFXCFSA-N	1	0	353.466	1.952	20	30		FDEDRO
C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@@H+]([C@H]1CC[C@@H](C(=O)OC)C1)C2	ZINC001170542696	940515052	/nfs/dbraw/zinc/51/50/52/940515052.db2.gz	KRVDXYPWCQHILX-UWVAXJGDSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=CCOc1ccc(/C=C/C(=O)N[C@H](CO)C[NH+]2CCCC2)cc1OC	ZINC000808217841	940528874	/nfs/dbraw/zinc/52/88/74/940528874.db2.gz	DSZIPAWXABWFQD-LKUPDRCFSA-N	1	0	360.454	1.846	20	30		FDEDRO
C#CCCCCC(=O)N(C)CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O	ZINC000808226576	940530115	/nfs/dbraw/zinc/53/01/15/940530115.db2.gz	NZONNOZEOIYBMG-UHFFFAOYSA-N	1	0	369.465	1.866	20	30		FDEDRO
COc1cncc(CO[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)c1	ZINC000808258682	940535646	/nfs/dbraw/zinc/53/56/46/940535646.db2.gz	USGRKFXFMFJQSM-UHFFFAOYSA-N	1	0	356.426	1.888	20	30		FDEDRO
C#CCCS(=O)(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1	ZINC000808304749	940539407	/nfs/dbraw/zinc/53/94/07/940539407.db2.gz	QYXLFSJHMBCCQB-ROUUACIJSA-N	1	0	355.548	1.609	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCOC(C)C)C1	ZINC001131301025	940546893	/nfs/dbraw/zinc/54/68/93/940546893.db2.gz	JBMBOJGRUOLWDW-ZACQAIPSSA-N	1	0	365.474	1.484	20	30		FDEDRO
CC(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CSCC#N)C1	ZINC001131301396	940547306	/nfs/dbraw/zinc/54/73/06/940547306.db2.gz	UBNHUQSCROVVIR-KFWWJZLASA-N	1	0	366.487	1.005	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCCC)C[C@H]32)C1	ZINC001131307016	940548847	/nfs/dbraw/zinc/54/88/47/940548847.db2.gz	FXOUCLZRIDUUJY-XHSDSOJGSA-N	1	0	351.447	1.095	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CCCOC)C[C@H]32)C1	ZINC001131310411	940550221	/nfs/dbraw/zinc/55/02/21/940550221.db2.gz	QRQIDLGEYIYAKI-OAGGEKHMSA-N	1	0	365.474	1.341	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccn2C)CC1	ZINC001131421846	940566467	/nfs/dbraw/zinc/56/64/67/940566467.db2.gz	YYVNOBNLZCAOQF-MJGOQNOKSA-N	1	0	361.486	1.827	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(C)no2)CC1	ZINC001131424823	940566754	/nfs/dbraw/zinc/56/67/54/940566754.db2.gz	WZAYHJARGCGKCH-AEFFLSMTSA-N	1	0	363.458	1.785	20	30		FDEDRO
CC[C@H](C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CSCC#N)CC1)OC	ZINC001131429736	940567537	/nfs/dbraw/zinc/56/75/37/940567537.db2.gz	ULVUDTPWOMAGDF-NUJGCVRESA-N	1	0	369.531	1.654	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H]2C=CCC2)CC1	ZINC001131417198	940567802	/nfs/dbraw/zinc/56/78/02/940567802.db2.gz	ZLBOZSADLJHCLI-DSKINZAPSA-N	1	0	360.498	1.978	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCOC2)CC1	ZINC001131441797	940591079	/nfs/dbraw/zinc/59/10/79/940591079.db2.gz	BFCVFGAHNQPRBO-KURKYZTESA-N	1	0	352.475	1.211	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cc1	ZINC000808765864	940593841	/nfs/dbraw/zinc/59/38/41/940593841.db2.gz	LLRGQOXRARGCSO-CRAIPNDOSA-N	1	0	363.483	1.385	20	30		FDEDRO
C=CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H]2CCCN(C)C2=O)CC1	ZINC001131448454	940601748	/nfs/dbraw/zinc/60/17/48/940601748.db2.gz	AGRSIFXWOZWECG-AOIWGVFYSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2ccn(C)n2)CC1	ZINC001131454160	940608356	/nfs/dbraw/zinc/60/83/56/940608356.db2.gz	ODISFVPWABCRFU-MJGOQNOKSA-N	1	0	362.474	1.108	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)CC)CC1	ZINC001131456663	940611008	/nfs/dbraw/zinc/61/10/08/940611008.db2.gz	XWLAUNIOLVEJEA-APWZRJJASA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ocnc2C)CC1	ZINC001131464564	940622297	/nfs/dbraw/zinc/62/22/97/940622297.db2.gz	VVXJYDWBEIZHJY-AEFFLSMTSA-N	1	0	363.458	1.785	20	30		FDEDRO
COC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1	ZINC001131470613	940626136	/nfs/dbraw/zinc/62/61/36/940626136.db2.gz	LFCKOQLIQOIPDX-XCRHUMRWSA-N	1	0	360.458	1.521	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CO[C@@H](C)CC)CC1	ZINC001131473087	940627950	/nfs/dbraw/zinc/62/79/50/940627950.db2.gz	MTSOIBGLZFBNBI-HQRMLTQVSA-N	1	0	368.518	1.990	20	30		FDEDRO
C#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cnns2)CC1	ZINC001131487793	940631317	/nfs/dbraw/zinc/63/13/17/940631317.db2.gz	FZHPUKPMZGPBRY-AEFFLSMTSA-N	1	0	362.499	1.827	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC(=O)NCC)CC1	ZINC001131478826	940634771	/nfs/dbraw/zinc/63/47/71/940634771.db2.gz	MDHWSRQZLPQRLU-VPWXQRGCSA-N	1	0	365.518	1.853	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(OC)ncn2)CC1	ZINC001131495855	940647143	/nfs/dbraw/zinc/64/71/43/940647143.db2.gz	HXMXKYVSYCCOTN-QAPCUYQASA-N	1	0	358.442	1.108	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(OC)ncn2)CC1	ZINC001131496266	940647487	/nfs/dbraw/zinc/64/74/87/940647487.db2.gz	UAFYMLHOTSPPLE-QAPCUYQASA-N	1	0	360.458	1.661	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)[C@@H]1CCCO1	ZINC000808945267	940657455	/nfs/dbraw/zinc/65/74/55/940657455.db2.gz	XTOVRMBFGGYPBI-WDSOQIARSA-N	1	0	371.481	1.310	20	30		FDEDRO
C=C(C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NCC)CC1	ZINC001131510449	940659297	/nfs/dbraw/zinc/65/92/97/940659297.db2.gz	JDLPAYOGSHWFIY-APWZRJJASA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)C(=O)C2CC2)CC1	ZINC001131510689	940660477	/nfs/dbraw/zinc/66/04/77/940660477.db2.gz	XDNLZCHFQWQIDD-MJGOQNOKSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCn2ccnn2)CC1	ZINC001131515478	940680381	/nfs/dbraw/zinc/68/03/81/940680381.db2.gz	MVNCZADDIKSQSH-MJGOQNOKSA-N	1	0	361.490	1.620	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COc2cc(C)on2)CC1	ZINC001131516989	940683809	/nfs/dbraw/zinc/68/38/09/940683809.db2.gz	DYWJEIJLCLYJHV-APWZRJJASA-N	1	0	361.442	1.371	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccnc(OC)n2)CC1	ZINC001131528083	940697429	/nfs/dbraw/zinc/69/74/29/940697429.db2.gz	KKMVAXJLACJMAM-WBVHZDCISA-N	1	0	360.458	1.661	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1	ZINC001131532037	940701289	/nfs/dbraw/zinc/70/12/89/940701289.db2.gz	WKQBNRVZHNPFRY-UHZRXMQZSA-N	1	0	360.498	1.811	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2COCCN2CC)CC1	ZINC001131522492	940705949	/nfs/dbraw/zinc/70/59/49/940705949.db2.gz	KONUACIKBLLIMZ-QRVBRYPASA-N	1	0	365.518	1.269	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2cc(C3CC3)cn2)CC1	ZINC001131522763	940706492	/nfs/dbraw/zinc/70/64/92/940706492.db2.gz	YCBUFRYRXYSHMX-CTNGQTDRSA-N	1	0	370.497	1.770	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(=O)Nc2ccccc2)CC1	ZINC001131526206	940710799	/nfs/dbraw/zinc/71/07/99/940710799.db2.gz	FKUWOJBPKNMAIU-MOPGFXCFSA-N	1	0	369.465	1.634	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCN(C)C2=O)CC1	ZINC001131548451	940737520	/nfs/dbraw/zinc/73/75/20/940737520.db2.gz	SOSYGKOMQOZPGP-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCn2ccnc2C)CC1	ZINC001131577940	940754972	/nfs/dbraw/zinc/75/49/72/940754972.db2.gz	IZHGWVIIHZXBJP-QUCCMNQESA-N	1	0	358.486	1.591	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H](C)COC)CC1	ZINC001131588081	940756948	/nfs/dbraw/zinc/75/69/48/940756948.db2.gz	PGUQTGRZFMAJHL-POAQFYNOSA-N	1	0	366.502	1.295	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2cnn(CC)c2)CC1	ZINC001131593091	940764241	/nfs/dbraw/zinc/76/42/41/940764241.db2.gz	LNYVLSBVORVCNJ-QUCCMNQESA-N	1	0	358.486	1.455	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c3c(nn2C)CCC3)CC1	ZINC001131593226	940764758	/nfs/dbraw/zinc/76/47/58/940764758.db2.gz	SISHOJVACIMERP-QUCCMNQESA-N	1	0	370.497	1.531	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2nccs2)CC1	ZINC001131582896	940768836	/nfs/dbraw/zinc/76/88/36/940768836.db2.gz	FDXSSKNQVBUPBA-CVEARBPZSA-N	1	0	363.483	1.392	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@]2(C)CCOC2)CC1	ZINC001131582932	940769123	/nfs/dbraw/zinc/76/91/23/940769123.db2.gz	GSJDIGGTLGFMIN-HBFSDRIKSA-N	1	0	364.486	1.049	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(Cl)no2)CC1	ZINC001131597296	940781400	/nfs/dbraw/zinc/78/14/00/940781400.db2.gz	VMIRCKBVXUDXDJ-CJNGLKHVSA-N	1	0	351.834	1.951	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCN(C)C(C)=O)CC1	ZINC001131600019	940783589	/nfs/dbraw/zinc/78/35/89/940783589.db2.gz	STTMHDBPGWBCFM-QUCCMNQESA-N	1	0	365.518	1.807	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc3n[nH]nc3c2)CC1	ZINC001131601929	940785159	/nfs/dbraw/zinc/78/51/59/940785159.db2.gz	LXQRBJLMRWDYBA-MJGOQNOKSA-N	1	0	367.453	1.581	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1C#N	ZINC000809504563	940846893	/nfs/dbraw/zinc/84/68/93/940846893.db2.gz	ZYISUFBJURXLLU-GJZGRUSLSA-N	1	0	372.469	1.420	20	30		FDEDRO
C#Cc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000809609265	940866341	/nfs/dbraw/zinc/86/63/41/940866341.db2.gz	BZVODZSYKVWVMI-UHFFFAOYSA-N	1	0	359.407	1.644	20	30		FDEDRO
C#Cc1ccc(C[NH2+][C@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)cc1	ZINC000809657446	940878409	/nfs/dbraw/zinc/87/84/09/940878409.db2.gz	GQVRGVHCJSGIIT-FQEVSTJZSA-N	1	0	365.481	1.978	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)cc1	ZINC000809705468	940889499	/nfs/dbraw/zinc/88/94/99/940889499.db2.gz	TZDHQNDMQLMWNI-FRIZHTMISA-N	1	0	356.426	1.930	20	30		FDEDRO
C#C[C@H](C)N(C)c1nnc(CN2CC[NH+](Cc3ccc(C)cc3)CC2)n1C	ZINC000809870107	940914039	/nfs/dbraw/zinc/91/40/39/940914039.db2.gz	FYZHWNCZFHXSIE-SFHVURJKSA-N	1	0	366.513	1.899	20	30		FDEDRO
C[C@@H]1CCCCN1C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1	ZINC001086675584	940920147	/nfs/dbraw/zinc/92/01/47/940920147.db2.gz	MYKQPBHQIMZGHJ-OWCLPIDISA-N	1	0	371.485	1.775	20	30		FDEDRO
CC(C)([NH3+])CN(c1nc(Cl)cc(C#N)n1)S(=O)(=O)c1ccccc1	ZINC001170595847	940948913	/nfs/dbraw/zinc/94/89/13/940948913.db2.gz	FNSYLYKTWBELJB-UHFFFAOYSA-N	1	0	365.846	1.934	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H]3CCN(C4CCC4)C3=O)C2)c[nH]1	ZINC001086676580	940949060	/nfs/dbraw/zinc/94/90/60/940949060.db2.gz	JYVUZSGEBZEKFH-JCKWVBRZSA-N	1	0	369.469	1.528	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1	ZINC000822989622	945363378	/nfs/dbraw/zinc/36/33/78/945363378.db2.gz	SLUCANHQSMCUQJ-IBGZPJMESA-N	1	0	369.465	1.643	20	30		FDEDRO
Cn1oc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)cc1=O	ZINC001086683435	941062334	/nfs/dbraw/zinc/06/23/34/941062334.db2.gz	OPTMUFKWHHZNSP-XJKSGUPXSA-N	1	0	354.410	1.538	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2COC(=O)N2)C1	ZINC001086686203	941072295	/nfs/dbraw/zinc/07/22/95/941072295.db2.gz	MNXRUGDLYQKVBO-XZJROXQQSA-N	1	0	360.389	1.180	20	30		FDEDRO
CCn1nncc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC001086690335	941099382	/nfs/dbraw/zinc/09/93/82/941099382.db2.gz	GVOFWOOFVGTPNK-XJKSGUPXSA-N	1	0	370.432	1.997	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3nn(C)cc3C)C2)C1=O	ZINC001086694693	941128617	/nfs/dbraw/zinc/12/86/17/941128617.db2.gz	FJAMZYODFYRHSB-XHSDSOJGSA-N	1	0	359.474	1.004	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000811530526	941138906	/nfs/dbraw/zinc/13/89/06/941138906.db2.gz	JLEPGNFKCVXVAO-KXBFYZLASA-N	1	0	367.490	1.467	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C[N@@H+](C)CCCC)cc1	ZINC000811599240	941144386	/nfs/dbraw/zinc/14/43/86/941144386.db2.gz	KXGKEVNBIUAUIW-OAHLLOKOSA-N	1	0	365.499	1.448	20	30		FDEDRO
Cc1nn(C)c(N2CCOCC2)c1C=[NH+]N[C@@H](C)COc1ccccc1	ZINC000811667137	941149534	/nfs/dbraw/zinc/14/95/34/941149534.db2.gz	ONPNBRQTIWLXDP-HNNXBMFYSA-N	1	0	357.458	1.956	20	30		FDEDRO
CC[N@@H+]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOC)CC1	ZINC000812126346	941183264	/nfs/dbraw/zinc/18/32/64/941183264.db2.gz	INVJZVJJSMNQBT-UHFFFAOYSA-N	1	0	354.458	1.995	20	30		FDEDRO
CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N	ZINC000812196426	941186791	/nfs/dbraw/zinc/18/67/91/941186791.db2.gz	QARYPMRUJDBCPH-ILXRZTDVSA-N	1	0	367.494	1.773	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccccc2OC)CC1	ZINC000747818002	941273091	/nfs/dbraw/zinc/27/30/91/941273091.db2.gz	CQPAYRXRIRBMNU-JKSUJKDBSA-N	1	0	371.481	1.722	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=NOCC(=O)Nc2ccc3c(c2)OCO3)cc1	ZINC000747838770	941334169	/nfs/dbraw/zinc/33/41/69/941334169.db2.gz	KEVJLVCCTNKUMZ-UHFFFAOYSA-N	1	0	370.409	1.753	20	30		FDEDRO
CN1C[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)CC1=O	ZINC001086710871	941360331	/nfs/dbraw/zinc/36/03/31/941360331.db2.gz	NZVOIPBMZYOTIN-OKZBNKHCSA-N	1	0	354.454	1.411	20	30		FDEDRO
CCN1C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)CC1=O	ZINC001086710912	941360813	/nfs/dbraw/zinc/36/08/13/941360813.db2.gz	PGMKLULZSDIHTB-IPMKNSEASA-N	1	0	368.481	1.801	20	30		FDEDRO
C#CCN(C(=O)[C@H]1CC(=O)N(C2CCC(C)CC2)C1)C1CC[NH+](C)CC1	ZINC001134043393	941533309	/nfs/dbraw/zinc/53/33/09/941533309.db2.gz	HHDZWLWLGSOLLG-ADKAHSJRSA-N	1	0	359.514	1.970	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccc(F)cc1F	ZINC001134049289	941537625	/nfs/dbraw/zinc/53/76/25/941537625.db2.gz	AWFCFTSTRYJWEE-DOMZBBRYSA-N	1	0	353.369	1.200	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)c1ccc(F)cc1Cl	ZINC001134052753	941539667	/nfs/dbraw/zinc/53/96/67/941539667.db2.gz	AZNZJOMQPCBJRL-KBMXLJTQSA-N	1	0	356.825	1.809	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)Nc1ccc(F)cc1F	ZINC001134062058	941540855	/nfs/dbraw/zinc/54/08/55/941540855.db2.gz	PMKWZKQMNLEHSE-KFNAQCHYSA-N	1	0	367.396	1.589	20	30		FDEDRO
O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1ccco1)NCC#Cc1ccccc1	ZINC001134131771	941568056	/nfs/dbraw/zinc/56/80/56/941568056.db2.gz	DKKWVBYPNNESNX-QZTJIDSGSA-N	1	0	365.433	1.257	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC)nc2)C1	ZINC001086720846	941619978	/nfs/dbraw/zinc/61/99/78/941619978.db2.gz	RGKIMMSZWPLXSN-UHOSZYNNSA-N	1	0	370.497	1.562	20	30		FDEDRO
Cn1cnc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)cc1=O	ZINC001086721162	941643093	/nfs/dbraw/zinc/64/30/93/941643093.db2.gz	JMVHYZIKNUSDHR-DLBZAZTESA-N	1	0	365.437	1.340	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@H](O)COCc2ccccc2OC)CC1	ZINC000747969110	941708346	/nfs/dbraw/zinc/70/83/46/941708346.db2.gz	QUCGSOSSQVFLTE-SFHVURJKSA-N	1	0	360.454	1.034	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1	ZINC000747983205	941730387	/nfs/dbraw/zinc/73/03/87/941730387.db2.gz	FFNHHPMAOOAQKG-UZLBHIALSA-N	1	0	362.518	1.668	20	30		FDEDRO
C#CC[N@@H+](C)CCCNc1ccc(S(=O)(=O)NC(CC)CC)cn1	ZINC000814928965	941740631	/nfs/dbraw/zinc/74/06/31/941740631.db2.gz	DJXHFRYNSLHONX-UHFFFAOYSA-N	1	0	352.504	1.916	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000815082999	941776845	/nfs/dbraw/zinc/77/68/45/941776845.db2.gz	KHIUWEYNRGMJPS-UHFFFAOYSA-N	1	0	359.373	1.810	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl	ZINC000815082472	941777088	/nfs/dbraw/zinc/77/70/88/941777088.db2.gz	TVJDLXCWKJXSQV-UHFFFAOYSA-N	1	0	359.835	1.790	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)CCc1ccccc1Br	ZINC000815082441	941777817	/nfs/dbraw/zinc/77/78/17/941777817.db2.gz	RGCUDRWRWABNMO-UHFFFAOYSA-N	1	0	373.316	1.866	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC1CCCCC1	ZINC001135067626	941883288	/nfs/dbraw/zinc/88/32/88/941883288.db2.gz	DXDWZLWATVNBGL-HKUYNNGSSA-N	1	0	365.518	1.760	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCCN(CC(C)(C)C)C1=O	ZINC001135142263	941927856	/nfs/dbraw/zinc/92/78/56/941927856.db2.gz	MVTKSXHLJBGFRG-ULQDDVLXSA-N	1	0	365.518	1.711	20	30		FDEDRO
C#CCCCCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@H]1O	ZINC001195338161	970852127	/nfs/dbraw/zinc/85/21/27/970852127.db2.gz	KKTMTDGTZYWWPD-VAMGGRTRSA-N	1	0	358.482	1.335	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CCOCCOc1ccccc1	ZINC001135147232	941942335	/nfs/dbraw/zinc/94/23/35/941942335.db2.gz	FODFUVDCXHFWHP-OALUTQOASA-N	1	0	362.470	1.769	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cnc(-c2ccccc2)s1	ZINC000815861381	941996770	/nfs/dbraw/zinc/99/67/70/941996770.db2.gz	FYTQZJZXSPNOQC-UHFFFAOYSA-N	1	0	356.451	1.820	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1	ZINC001086731912	942004296	/nfs/dbraw/zinc/00/42/96/942004296.db2.gz	KBGQNLUZTIYFFL-LXTVHRRPSA-N	1	0	374.323	1.489	20	30		FDEDRO
C#CC[N@@H+](CC#CC)C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1	ZINC000816513293	942238264	/nfs/dbraw/zinc/23/82/64/942238264.db2.gz	LYDFYWOOIVLBJR-QGZVFWFLSA-N	1	0	361.486	1.708	20	30		FDEDRO
O=C(NCCNC(=O)C1N=CC=CC1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000816923543	942382780	/nfs/dbraw/zinc/38/27/80/942382780.db2.gz	KZYUMFOHIIWNDK-IGGDJGDASA-N	1	0	368.437	1.151	20	30		FDEDRO
Cn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)ncc1=O	ZINC001086763163	942408004	/nfs/dbraw/zinc/40/80/04/942408004.db2.gz	VQVMPYLUGQTCOV-DLBZAZTESA-N	1	0	365.437	1.340	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ncc(C)cc3C)C2)C1=O	ZINC001086764010	942410271	/nfs/dbraw/zinc/41/02/71/942410271.db2.gz	PWRPEJJCBCETAI-KSZLIROESA-N	1	0	370.497	1.973	20	30		FDEDRO
Cn1c(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)c[nH]c1=O	ZINC001086777541	942453261	/nfs/dbraw/zinc/45/32/61/942453261.db2.gz	VLXFQWSXCDGCOQ-XJKSGUPXSA-N	1	0	353.426	1.686	20	30		FDEDRO
Cc1nn[nH]c1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C1	ZINC001086773156	942459363	/nfs/dbraw/zinc/45/93/63/942459363.db2.gz	XUNRHIRAOACRCO-JKSUJKDBSA-N	1	0	368.441	1.704	20	30		FDEDRO
COc1nn(C)cc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001086775396	942467781	/nfs/dbraw/zinc/46/77/81/942467781.db2.gz	LTQZDLYSIYYYRG-DLBZAZTESA-N	1	0	367.453	1.989	20	30		FDEDRO
N#CCOc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCNC3=O)C2)cc1	ZINC001086776963	942474754	/nfs/dbraw/zinc/47/47/54/942474754.db2.gz	XHTLPHNSYHJTDH-JZXOWHBKSA-N	1	0	370.453	1.100	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=O)NCC1CC1	ZINC001170853292	942487769	/nfs/dbraw/zinc/48/77/69/942487769.db2.gz	PRKXJYAYBCKCPM-NXHRZFHOSA-N	1	0	365.518	1.758	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCCC3)C2)c1	ZINC001086798452	942635395	/nfs/dbraw/zinc/63/53/95/942635395.db2.gz	OCFLJKOCTJXWHU-PKOBYXMFSA-N	1	0	368.481	1.564	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H](ONC(=O)OC(C)(C)C)C(C)C)CC1	ZINC000817615196	942858062	/nfs/dbraw/zinc/85/80/62/942858062.db2.gz	PXHACCLFOAJLRD-MRXNPFEDSA-N	1	0	367.490	1.929	20	30		FDEDRO
C=CCCN(OCc1ccccc1)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1	ZINC000817985392	943118764	/nfs/dbraw/zinc/11/87/64/943118764.db2.gz	JQAUNNGXOQMYJA-HXUWFJFHSA-N	1	0	357.454	1.877	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)ccc1F	ZINC000818009721	943145074	/nfs/dbraw/zinc/14/50/74/943145074.db2.gz	ZFJFOLCAYKTCBV-GXTWGEPZSA-N	1	0	369.462	1.347	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@]12C[C@H]1COC2	ZINC001170887204	943163219	/nfs/dbraw/zinc/16/32/19/943163219.db2.gz	BTFMGFDQCHXWKG-GJYPPUQNSA-N	1	0	364.490	1.050	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccn(CC)n3)C2)C1=O	ZINC001086819794	943234159	/nfs/dbraw/zinc/23/41/59/943234159.db2.gz	AUKKNZDCKFDCAM-UXLLHSPISA-N	1	0	359.474	1.178	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cncc(OC)n2)C1	ZINC001086820813	943241923	/nfs/dbraw/zinc/24/19/23/943241923.db2.gz	AASNBOZGBNHWRX-NWDGAFQWSA-N	1	0	369.263	1.882	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@]2(C)CCC[NH2+]2)c1	ZINC000818499108	943256300	/nfs/dbraw/zinc/25/63/00/943256300.db2.gz	JYAUNCKBCFCJLJ-AWZALFRUSA-N	1	0	364.471	1.580	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)ccc1F	ZINC000818563511	943286139	/nfs/dbraw/zinc/28/61/39/943286139.db2.gz	ODKROCGHNKUVMC-NEPJUHHUSA-N	1	0	355.435	1.099	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1	ZINC000818593051	943323746	/nfs/dbraw/zinc/32/37/46/943323746.db2.gz	JGRYFDGULNSQNS-WMZOPIPTSA-N	1	0	373.501	1.180	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]CC(=O)Nc1cc(Br)ccc1C	ZINC000818989908	943374867	/nfs/dbraw/zinc/37/48/67/943374867.db2.gz	DPULLDCFSNUPRV-UHFFFAOYSA-N	1	0	352.232	1.425	20	30		FDEDRO
C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000818994618	943375879	/nfs/dbraw/zinc/37/58/79/943375879.db2.gz	HVAQXIKIEGCRFP-BBWFWOEESA-N	1	0	368.522	1.818	20	30		FDEDRO
COC(=O)N1CCC[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000819004377	943381513	/nfs/dbraw/zinc/38/15/13/943381513.db2.gz	YXVFQFDTPXHBOH-CQSZACIVSA-N	1	0	351.428	1.152	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CC(OCC)C3)C2)nn1	ZINC001086823525	943389452	/nfs/dbraw/zinc/38/94/52/943389452.db2.gz	IYADUCHSNVIXMR-ORBLRFAASA-N	1	0	361.490	1.767	20	30		FDEDRO
Cc1ccc(OC[C@@H](O)C[NH2+]CCNC(=O)C2N=CC=CC2=O)c(C)c1	ZINC000819048729	943394277	/nfs/dbraw/zinc/39/42/77/943394277.db2.gz	AOVMGKNQZKSWKQ-IJYGLTAASA-N	1	0	359.426	1.159	20	30		FDEDRO
CC(C)(C)OC(=O)NCCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000819016062	943403930	/nfs/dbraw/zinc/40/39/30/943403930.db2.gz	SFVVXEZHKSPQGZ-UHFFFAOYSA-N	1	0	368.459	1.231	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2ccc(N3CC=CC3)cc2)nc1	ZINC000819096169	943419070	/nfs/dbraw/zinc/41/90/70/943419070.db2.gz	YGLBGECTTAERMI-UHFFFAOYSA-N	1	0	368.462	1.893	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2COC(C)(C)O2)c(OC)c1	ZINC000819156231	943444366	/nfs/dbraw/zinc/44/43/66/943444366.db2.gz	QMRBUQIPTOFMQH-HZPDHXFCSA-N	1	0	351.443	1.905	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)nc1	ZINC000819199435	943472519	/nfs/dbraw/zinc/47/25/19/943472519.db2.gz	WOTLJPJFQAVUHY-UMVBOHGHSA-N	1	0	369.537	1.696	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH2+]C[C@H](O)c3ccc(F)cn3)C2=O)cc1	ZINC000819219132	943492178	/nfs/dbraw/zinc/49/21/78/943492178.db2.gz	YARMXYYUJYPOIL-ROUUACIJSA-N	1	0	354.385	1.911	20	30		FDEDRO
C=C[C@@H]1C[C@]1(Nc1ncc(C)cc1[C@H]1C[NH2+]C[C@@H]1C(=O)OC)C(=O)OCC	ZINC001170925051	943508824	/nfs/dbraw/zinc/50/88/24/943508824.db2.gz	QPTODIJWYSGDKX-BCEDRHLLSA-N	1	0	373.453	1.786	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H]([NH2+]C[C@@H](O)c3ccc(F)cn3)C2=O)cc1	ZINC000819259882	943515027	/nfs/dbraw/zinc/51/50/27/943515027.db2.gz	MPRPAUKBQRRUKF-QZTJIDSGSA-N	1	0	354.385	1.516	20	30		FDEDRO
C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)CCN1C(=O)OC(C)(C)C	ZINC000819268786	943520268	/nfs/dbraw/zinc/52/02/68/943520268.db2.gz	UZJOPCHBGNHJDJ-BZUAXINKSA-N	1	0	354.495	1.570	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)c1ccc(N2CCCOC2=O)cc1	ZINC000819330330	943529473	/nfs/dbraw/zinc/52/94/73/943529473.db2.gz	OBDPTFUCNOZFBN-MAUKXSAKSA-N	1	0	360.458	1.890	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O	ZINC001195554225	971004313	/nfs/dbraw/zinc/00/43/13/971004313.db2.gz	DISUUOOUBWCHJI-ATZDWAIDSA-N	1	0	358.482	1.928	20	30		FDEDRO
Cn1ncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(F)ccc3C#N)C2)n1	ZINC001086828096	943597430	/nfs/dbraw/zinc/59/74/30/943597430.db2.gz	ZZMXSNQISRJYEC-BLLLJJGKSA-N	1	0	356.405	1.514	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H]2C1	ZINC000819541425	943609686	/nfs/dbraw/zinc/60/96/86/943609686.db2.gz	SUHUUCHYWQIHQD-RRFJBIMHSA-N	1	0	350.463	1.736	20	30		FDEDRO
N#CCOc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3nnc[nH]3)C2)cc1	ZINC001086832258	943929415	/nfs/dbraw/zinc/92/94/15/943929415.db2.gz	JKEWRHMAPCCROA-LSDHHAIUSA-N	1	0	354.414	1.395	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(C(C)(C)C)C2=O)C1	ZINC001195548553	971039733	/nfs/dbraw/zinc/03/97/33/971039733.db2.gz	CBDLCIDBBUJVBM-BZUAXINKSA-N	1	0	351.491	1.151	20	30		FDEDRO
CC(=O)N1C[C@@H]2C[N@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)C[C@@H]2C1	ZINC000821328028	944420103	/nfs/dbraw/zinc/42/01/03/944420103.db2.gz	BMNGUBQBWAJESE-NXHRZFHOSA-N	1	0	354.454	1.732	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)s1	ZINC000821479997	944529137	/nfs/dbraw/zinc/52/91/37/944529137.db2.gz	AOFXAAUMAYNUJO-QWHCGFSZSA-N	1	0	371.528	1.306	20	30		FDEDRO
C#CCCN1CCN(C(=O)Cc2csc(SCC[NH+](C)C)n2)CC1	ZINC001136499357	944667794	/nfs/dbraw/zinc/66/77/94/944667794.db2.gz	WHULSWHTAQAWRR-UHFFFAOYSA-N	1	0	366.556	1.507	20	30		FDEDRO
C#C[C@H](NC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)C1CCOCC1	ZINC000823163267	945545071	/nfs/dbraw/zinc/54/50/71/945545071.db2.gz	HNRRCAXPRRYHKN-UXHICEINSA-N	1	0	371.481	1.133	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)OCC[NH+]2CCCCC2)cc1	ZINC000823533281	945804980	/nfs/dbraw/zinc/80/49/80/945804980.db2.gz	JKRCQIPSNWXJCR-UHFFFAOYSA-N	1	0	352.456	1.794	20	30		FDEDRO
C#CC[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2)C(=O)OC	ZINC000823518605	945825296	/nfs/dbraw/zinc/82/52/96/945825296.db2.gz	FMWSRVBFMXTDDU-WFXMLNOXSA-N	1	0	370.449	1.206	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)c1	ZINC000823647844	945888301	/nfs/dbraw/zinc/88/83/01/945888301.db2.gz	QCUCGJMBGVREBB-CALCHBBNSA-N	1	0	360.479	1.840	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C)[NH+]1CCCC1	ZINC001090722025	945971625	/nfs/dbraw/zinc/97/16/25/945971625.db2.gz	UJNPMEPWOFZBHS-QGPMSJSTSA-N	1	0	356.474	1.410	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1	ZINC001090730568	946024436	/nfs/dbraw/zinc/02/44/36/946024436.db2.gz	DCLMSSORZYBRRG-NVXWUHKLSA-N	1	0	356.474	1.555	20	30		FDEDRO
COc1cc(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)ccc1C#N	ZINC000823997328	946145506	/nfs/dbraw/zinc/14/55/06/946145506.db2.gz	BISMFLIUCXBJLA-UHFFFAOYSA-N	1	0	365.437	1.644	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NCC[C@H](C)[NH+](C)C)s1	ZINC000824432176	946411418	/nfs/dbraw/zinc/41/14/18/946411418.db2.gz	PGQWBIMGJVBHIH-LBPRGKRZSA-N	1	0	359.517	1.211	20	30		FDEDRO
C=CCN1CC[C@H](N2CC[C@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)C1=O	ZINC000856584980	971236445	/nfs/dbraw/zinc/23/64/45/971236445.db2.gz	WIWXOCJIGMJEPC-OALUTQOASA-N	1	0	358.486	1.773	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C2)n1	ZINC001090788657	946644029	/nfs/dbraw/zinc/64/40/29/946644029.db2.gz	XPIINXJWZILNGE-UKRRQHHQSA-N	1	0	358.490	1.582	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[nH]n3)c2)CC1	ZINC001573282174	946685395	/nfs/dbraw/zinc/68/53/95/946685395.db2.gz	GRVVUBZOQDXCCY-ZWKOTPCHSA-N	1	0	364.453	1.574	20	30		FDEDRO
C#CCCCC(=O)N[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1	ZINC001573284535	946750913	/nfs/dbraw/zinc/75/09/13/946750913.db2.gz	FXZWUFZRJXMMBZ-QGZVFWFLSA-N	1	0	352.442	1.655	20	30		FDEDRO
COc1cc(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)ccc1C#N	ZINC000824820124	946791328	/nfs/dbraw/zinc/79/13/28/946791328.db2.gz	ZYKPOWXQWAIYQZ-UHFFFAOYSA-N	1	0	356.470	1.855	20	30		FDEDRO
C#CC[NH2+]CCCN(Cc1ccccc1)C(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573286130	946797498	/nfs/dbraw/zinc/79/74/98/946797498.db2.gz	UOIVJYDUIJTSIR-UHFFFAOYSA-N	1	0	363.425	1.450	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CCCCNc1ccc2c([C@@H]3CCC[NH2+]3)nnn2c1	ZINC001171071100	946865757	/nfs/dbraw/zinc/86/57/57/946865757.db2.gz	PPUYPSKVVRYDFJ-HOTGVXAUSA-N	1	0	372.473	1.793	20	30		FDEDRO
C=C(C)C[NH+]1CCC(CCOC)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1	ZINC001573293867	946970319	/nfs/dbraw/zinc/97/03/19/946970319.db2.gz	MKGZTEGTBOVJMI-UHFFFAOYSA-N	1	0	373.461	1.372	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CC1	ZINC001573562362	946974562	/nfs/dbraw/zinc/97/45/62/946974562.db2.gz	TUHXYAXRNRIGOU-GXFFZTMASA-N	1	0	359.459	1.414	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573564437	946992242	/nfs/dbraw/zinc/99/22/42/946992242.db2.gz	IRANRCMPJCOTBP-AAEUAGOBSA-N	1	0	357.393	1.104	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CC[NH2+]CC2(C)C)ccc1F	ZINC000825167966	946997635	/nfs/dbraw/zinc/99/76/35/946997635.db2.gz	AFNYFIIJGNUKQN-HNNXBMFYSA-N	1	0	369.462	1.408	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC([C@H](C)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1	ZINC001573564767	946997830	/nfs/dbraw/zinc/99/78/30/946997830.db2.gz	KLLDZVCHKBVJHA-KBPBESRZSA-N	1	0	367.457	1.743	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001573566606	947026393	/nfs/dbraw/zinc/02/63/93/947026393.db2.gz	DRDUIAZQNFTSJH-DZGCQCFKSA-N	1	0	353.430	1.497	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCCCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573567306	947044582	/nfs/dbraw/zinc/04/45/82/947044582.db2.gz	LUQGSADLTYUNLK-CHWSQXEVSA-N	1	0	354.418	1.026	20	30		FDEDRO
C=C1CC(C)(C(=O)NCC[N@@H+](C)Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573296373	947045208	/nfs/dbraw/zinc/04/52/08/947045208.db2.gz	OGBYYFUZAPYAPP-UHFFFAOYSA-N	1	0	358.421	1.910	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@H](C[N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)C1	ZINC001573567554	947047259	/nfs/dbraw/zinc/04/72/59/947047259.db2.gz	OPRAKHPYEXVPAD-CHWSQXEVSA-N	1	0	373.486	1.758	20	30		FDEDRO
C=CCN1CCN(C)C2(CC[NH+](Cc3cnc(OC)c(C)c3)CC2)C1=O	ZINC001137003001	947079075	/nfs/dbraw/zinc/07/90/75/947079075.db2.gz	ADKVTODOSBMXPK-UHFFFAOYSA-N	1	0	358.486	1.693	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H](CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(C)C	ZINC001573299562	947098040	/nfs/dbraw/zinc/09/80/40/947098040.db2.gz	UKVFWDYBUCEDST-GFCCVEGCSA-N	1	0	351.842	1.681	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CC1	ZINC001573577551	947169329	/nfs/dbraw/zinc/16/93/29/947169329.db2.gz	RCNRZDLGBSMSBS-BONVTDFDSA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@@]1(C)CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573578048	947180683	/nfs/dbraw/zinc/18/06/83/947180683.db2.gz	XQEXLEGHPUOZPA-AUUYWEPGSA-N	1	0	367.457	1.745	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC001573582395	947191338	/nfs/dbraw/zinc/19/13/38/947191338.db2.gz	DJOZGWNGZQPIFF-CYBMUJFWSA-N	1	0	353.430	1.355	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573309361	947197896	/nfs/dbraw/zinc/19/78/96/947197896.db2.gz	HOSUXDNFTJFHJT-IDHHARJASA-N	1	0	370.457	1.178	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1C	ZINC001573584085	947210669	/nfs/dbraw/zinc/21/06/69/947210669.db2.gz	QHWTVSBZWLGADA-IJLUTSLNSA-N	1	0	359.459	1.272	20	30		FDEDRO
CC(C)[C@@H](CCNC(=O)[C@@H](C)C#N)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573584223	947217693	/nfs/dbraw/zinc/21/76/93/947217693.db2.gz	RNGHQDOXBYUNSB-BLLLJJGKSA-N	1	0	373.436	1.786	20	30		FDEDRO
C[C@H](C#N)C(=O)NCCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1	ZINC001573584345	947218510	/nfs/dbraw/zinc/21/85/10/947218510.db2.gz	UVLJOXXOSOMYOH-GFCCVEGCSA-N	1	0	373.486	1.806	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc(C)cn2)C[C@H]1c1ccc(OC)cc1	ZINC001090861906	947289014	/nfs/dbraw/zinc/28/90/14/947289014.db2.gz	VOZFGLPVXMUNFB-PKOBYXMFSA-N	1	0	350.422	1.625	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573586809	947293249	/nfs/dbraw/zinc/29/32/49/947293249.db2.gz	UDYLUSIRYHFZET-RAIGVLPGSA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@@H]1C[C@@H](N(C)CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC[N@@H+]1C	ZINC000266002218	971370204	/nfs/dbraw/zinc/37/02/04/971370204.db2.gz	OHRDIYBRIVJXTI-IJEWVQPXSA-N	1	0	367.453	1.926	20	30		FDEDRO
CCc1ccc(C#CC(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)cc1	ZINC000843884217	947376296	/nfs/dbraw/zinc/37/62/96/947376296.db2.gz	BYZHBPUHYUISNS-IBGZPJMESA-N	1	0	353.466	1.412	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2[NH2+]C[C@@H](C)O)cc1	ZINC001090869383	947384690	/nfs/dbraw/zinc/38/46/90/947384690.db2.gz	WIZPDXXWRPGUHO-XVGQJIODSA-N	1	0	368.437	1.474	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(CC(=O)OC(C)(C)C)C2CCOCC2)CC1	ZINC000843908357	947438404	/nfs/dbraw/zinc/43/84/04/947438404.db2.gz	BPCPVMHGHUAQBZ-UHFFFAOYSA-N	1	0	364.486	1.681	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1c1ccc(OC)cc1	ZINC001090874829	947484285	/nfs/dbraw/zinc/48/42/85/947484285.db2.gz	UIJKPWXAMGUWFF-FGTMMUONSA-N	1	0	357.454	1.291	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@H]1c1ccc(OC)cc1	ZINC001090875306	947489583	/nfs/dbraw/zinc/48/95/83/947489583.db2.gz	MVBQRLWTKDZQDA-RBUKOAKNSA-N	1	0	371.481	1.778	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1c1ccc(OC)cc1	ZINC001090872283	947498639	/nfs/dbraw/zinc/49/86/39/947498639.db2.gz	HGSZPICPHJNPIN-ZWQIFLOQSA-N	1	0	371.481	1.680	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@@H](N(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)C1	ZINC001573336562	947507737	/nfs/dbraw/zinc/50/77/37/947507737.db2.gz	OZDFDCQWFAKPBT-CQSZACIVSA-N	1	0	371.445	1.200	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573342776	947543898	/nfs/dbraw/zinc/54/38/98/947543898.db2.gz	DANIJVIJNYQLEU-CZUORRHYSA-N	1	0	356.430	1.006	20	30		FDEDRO
C=CCOCC(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573343038	947550289	/nfs/dbraw/zinc/55/02/89/947550289.db2.gz	IRAFZZUQDHVESM-UHFFFAOYSA-N	1	0	374.420	1.193	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCNC(=O)CC2)C[C@H]1c1ccc(OC)cc1	ZINC001090876176	947554301	/nfs/dbraw/zinc/55/43/01/947554301.db2.gz	QQIIWYHCZKMMQH-YTQUADARSA-N	1	0	369.465	1.129	20	30		FDEDRO
C=CCOCC[NH2+]CCC1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1	ZINC001573348749	947586598	/nfs/dbraw/zinc/58/65/98/947586598.db2.gz	USMLNXWFAVXTQP-UHFFFAOYSA-N	1	0	373.461	1.229	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc(=O)n2C)C[C@H]1c1ccc(OC)cc1	ZINC001090881026	947597496	/nfs/dbraw/zinc/59/74/96/947597496.db2.gz	VKVLXTLCZUQEJV-ZWKOTPCHSA-N	1	0	365.433	1.225	20	30		FDEDRO
CC#CC[NH2+]C[C@]1(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCCC[C@H]1C	ZINC001573357958	947655612	/nfs/dbraw/zinc/65/56/12/947655612.db2.gz	DJMGWNTWAXQRHM-FZKQIMNGSA-N	1	0	355.446	1.486	20	30		FDEDRO
CC#CCCCC(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1	ZINC001573359045	947676363	/nfs/dbraw/zinc/67/63/63/947676363.db2.gz	VEBXOPPOKTYGJA-CYBMUJFWSA-N	1	0	358.421	1.794	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CC(C)(F)F)C1	ZINC001196037295	971416240	/nfs/dbraw/zinc/41/62/40/971416240.db2.gz	HSAAQISFVLUQAE-BFHYXJOUSA-N	1	0	361.433	1.006	20	30		FDEDRO
CCOc1ccc(-c2nc(CC(=O)N[C@H]3C[NH2+]C[C@@H]3C#N)cs2)cc1	ZINC000844195515	947865735	/nfs/dbraw/zinc/86/57/35/947865735.db2.gz	VUSGWVADXUZFRX-BBRMVZONSA-N	1	0	356.451	1.979	20	30		FDEDRO
Cc1cc(C[N@@H+](CCO[C@@H](C)C#N)C2CC2)cc(S(N)(=O)=O)c1C	ZINC000844392952	948023601	/nfs/dbraw/zinc/02/36/01/948023601.db2.gz	CFBAGUUYCBTDIU-ZDUSSCGKSA-N	1	0	351.472	1.844	20	30		FDEDRO
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)Nc1cnn(CC[NH+](C)C)c1	ZINC000844550834	948168636	/nfs/dbraw/zinc/16/86/36/948168636.db2.gz	OWZSAAFONIPNRB-KRWDZBQOSA-N	1	0	356.430	1.514	20	30		FDEDRO
C=CCN1CCN(C)C2(CC[NH+](Cc3ccc4cc[nH]c4n3)CC2)C1=O	ZINC001144176819	948325833	/nfs/dbraw/zinc/32/58/33/948325833.db2.gz	MBDWJJOKGXZOKI-UHFFFAOYSA-N	1	0	353.470	1.858	20	30		FDEDRO
COc1ncc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cn1	ZINC000845001546	948581813	/nfs/dbraw/zinc/58/18/13/948581813.db2.gz	BZKHEKRYJYQLFL-UHFFFAOYSA-N	1	0	351.410	1.751	20	30		FDEDRO
CC(=O)N[C@@H](CS)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1	ZINC001144406860	948981981	/nfs/dbraw/zinc/98/19/81/948981981.db2.gz	VUNPDWOSHDPLEK-MELADBBJSA-N	1	0	368.528	1.000	20	30		FDEDRO
CC(=O)N[C@@H](CS)C(=O)N(c1ncnc2ccccc21)C1CC[NH2+]CC1	ZINC001144409550	948989915	/nfs/dbraw/zinc/98/99/15/948989915.db2.gz	SBHCWIJYZDIPMK-INIZCTEOSA-N	1	0	373.482	1.149	20	30		FDEDRO
CC(=O)N[C@@H](CS)C(=O)NCC[NH+]1CCC(Cc2ccccc2)CC1	ZINC001144417389	949059093	/nfs/dbraw/zinc/05/90/93/949059093.db2.gz	UWMFSVKMFNFTPC-SFHVURJKSA-N	1	0	363.527	1.492	20	30		FDEDRO
C=C[C@@H](C)ONC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000845635488	949718885	/nfs/dbraw/zinc/71/88/85/949718885.db2.gz	HABRKSFZWWKBGU-PBHICJAKSA-N	1	0	360.458	1.689	20	30		FDEDRO
C#Cc1ccc(C[N@H+]2CC[C@@H](N3CCOCC3)[C@@H]2Cc2cnn(C)c2)cc1	ZINC001144569531	949947859	/nfs/dbraw/zinc/94/78/59/949947859.db2.gz	SZNMCULWQAXUSW-YADHBBJMSA-N	1	0	364.493	1.919	20	30		FDEDRO
CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@H](C)C#N	ZINC001574150245	950027155	/nfs/dbraw/zinc/02/71/55/950027155.db2.gz	AQWRUUCKNRBNFU-VXGBXAGGSA-N	1	0	361.475	1.708	20	30		FDEDRO
C[C@H]1C(=O)N(N=Cc2ccccc2N(C)C2CC[NH+](C)CC2)C(=O)N1C	ZINC000857216721	971652873	/nfs/dbraw/zinc/65/28/73/971652873.db2.gz	BAPFEDHRDNFCGR-AWEZNQCLSA-N	1	0	357.458	1.833	20	30		FDEDRO
CC(C)C[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000846016059	950337679	/nfs/dbraw/zinc/33/76/79/950337679.db2.gz	RCYBBFZUCHLLFR-UHFFFAOYSA-N	1	0	364.421	1.761	20	30		FDEDRO
C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1	ZINC001574747820	950416997	/nfs/dbraw/zinc/41/69/97/950416997.db2.gz	YGYUQLPEISWFFE-JTQLQIEISA-N	1	0	370.442	1.378	20	30		FDEDRO
C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001574995761	950516575	/nfs/dbraw/zinc/51/65/75/950516575.db2.gz	INBMTNCBZGSXAY-JTQLQIEISA-N	1	0	368.376	1.114	20	30		FDEDRO
C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@@H](OCC(=O)N(C)C)[C@H]2COC[C@H]21	ZINC001171213038	950539295	/nfs/dbraw/zinc/53/92/95/950539295.db2.gz	SZBIOBBREKVLDX-WQANXHIZSA-N	1	0	357.454	1.293	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC1	ZINC001570982807	950647592	/nfs/dbraw/zinc/64/75/92/950647592.db2.gz	FLHCQLZROBGKAU-NSHDSACASA-N	1	0	357.393	1.246	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c3ccccc3[nH]c2=O)C1	ZINC001196421241	971688170	/nfs/dbraw/zinc/68/81/70/971688170.db2.gz	LODGHIQJMJFUFN-FRFSOERESA-N	1	0	358.442	1.258	20	30		FDEDRO
N#Cc1cncc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1	ZINC000846235511	950765546	/nfs/dbraw/zinc/76/55/46/950765546.db2.gz	XHQSBDAGNUXBMH-NUEKZKHPSA-N	1	0	350.444	1.003	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](CCC(=O)OC)C(=O)OC(C)(C)C)CC1	ZINC000846283414	950847780	/nfs/dbraw/zinc/84/77/80/950847780.db2.gz	FNVILYDQOQGTBN-HNNXBMFYSA-N	1	0	366.458	1.111	20	30		FDEDRO
COCC[NH2+]C1CCN(C(=O)Nc2ccc(F)cc2OCC#N)CC1	ZINC000846306825	950903942	/nfs/dbraw/zinc/90/39/42/950903942.db2.gz	KZVZUFDHIINLDR-UHFFFAOYSA-N	1	0	350.394	1.960	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(c3cccc(OC)c3)CC2)C1	ZINC001196475026	971702727	/nfs/dbraw/zinc/70/27/27/971702727.db2.gz	OWACMDPBNDKHQF-QZTJIDSGSA-N	1	0	360.454	1.091	20	30		FDEDRO
C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001575018127	951015631	/nfs/dbraw/zinc/01/56/31/951015631.db2.gz	KYSCMCGIFWYUPV-JTQLQIEISA-N	1	0	368.376	1.114	20	30		FDEDRO
C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1	ZINC001571003828	951127132	/nfs/dbraw/zinc/12/71/32/951127132.db2.gz	BMSYOBYFTIROBA-ZDUSSCGKSA-N	1	0	361.837	1.532	20	30		FDEDRO
C[C@@H](Cc1cccc(C#N)c1)N([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccccn1	ZINC001171228505	951164130	/nfs/dbraw/zinc/16/41/30/951164130.db2.gz	GXKIAGNGLRCSFX-YJBOKZPZSA-N	1	0	370.478	1.937	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C(C)(C)C)C2	ZINC001110720860	971727184	/nfs/dbraw/zinc/72/71/84/971727184.db2.gz	SCDNRSODGAXJDD-TUVASFSCSA-N	1	0	364.490	1.402	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2snnc2C)C1	ZINC001091278101	951293549	/nfs/dbraw/zinc/29/35/49/951293549.db2.gz	KIKRZHUKVLFXFF-UJJWPFCGSA-N	1	0	350.488	1.812	20	30		FDEDRO
Cc1cc(C#N)nc(N[C@@H]2CCCC[C@H]2NC(=O)C2([NH+](C)C)CCC2)n1	ZINC001091282728	951310799	/nfs/dbraw/zinc/31/07/99/951310799.db2.gz	BCZZVAPJJFGCNE-HZPDHXFCSA-N	1	0	356.474	1.980	20	30		FDEDRO
CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1	ZINC000846659383	951426117	/nfs/dbraw/zinc/42/61/17/951426117.db2.gz	MXJHULSTTUAZIT-OALUTQOASA-N	1	0	359.470	1.843	20	30		FDEDRO
COC(=O)c1scc(C#N)c1NC(=O)[C@@H]([NH3+])Cc1cccc(OC)c1	ZINC001144933048	951535638	/nfs/dbraw/zinc/53/56/38/951535638.db2.gz	JTWYITOOOCCFOX-ZDUSSCGKSA-N	1	0	359.407	1.923	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@H]3OCCO[C@H]3C)c2)C1	ZINC001091400508	951572555	/nfs/dbraw/zinc/57/25/55/951572555.db2.gz	KKKLUAYDKPJZIH-WBAXXEDZSA-N	1	0	361.442	1.141	20	30		FDEDRO
C#CCCN1CC[NH+](C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000846836712	951641448	/nfs/dbraw/zinc/64/14/48/951641448.db2.gz	HZLLBZZUGLQUFQ-IBGZPJMESA-N	1	0	351.491	1.389	20	30		FDEDRO
N#Cc1cccnc1C(=O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1	ZINC001196551131	971770176	/nfs/dbraw/zinc/77/01/76/971770176.db2.gz	BSEHZDPWSHLWAM-UHFFFAOYSA-N	1	0	361.365	1.224	20	30		FDEDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)c1ncccc1C#N)C2	ZINC001196555016	971771853	/nfs/dbraw/zinc/77/18/53/971771853.db2.gz	SLFGFJTVKKQTLH-YLJYHZDGSA-N	1	0	354.454	1.774	20	30		FDEDRO
C[C@H](CNC(=O)C#CC(C)(C)C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1	ZINC001575103989	951879607	/nfs/dbraw/zinc/87/96/07/951879607.db2.gz	AFWFMLMGJMTERI-AWEZNQCLSA-N	1	0	354.458	1.758	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H](C)OC)C[C@]3(C)C2)cc1C#N	ZINC001091519835	951927120	/nfs/dbraw/zinc/92/71/20/951927120.db2.gz	XRWPJCHSNDRGTM-ZTQAJYAQSA-N	1	0	357.454	1.882	20	30		FDEDRO
CN1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@@]3(C)C2)C1	ZINC001091565461	952090137	/nfs/dbraw/zinc/09/01/37/952090137.db2.gz	QJPKACLUODEUNE-SBHAEUEKSA-N	1	0	368.481	1.169	20	30		FDEDRO
Cc1cc(C)n(CC[N@@H+]2C[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@]3(C)C2)n1	ZINC001091575135	952113965	/nfs/dbraw/zinc/11/39/65/952113965.db2.gz	WJVBXIDCDDTXFX-XLIONFOSSA-N	1	0	366.469	1.794	20	30		FDEDRO
C[C@]12CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]1C[N@H+](CC(=O)N1CCCCC1)C2	ZINC001091577065	952118991	/nfs/dbraw/zinc/11/89/91/952118991.db2.gz	ZOLNNNXKXSBNHD-UZLBHIALSA-N	1	0	369.469	1.293	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ccn(C)c4)C[C@]3(C)C2)C1=O	ZINC001091596197	952203282	/nfs/dbraw/zinc/20/32/82/952203282.db2.gz	QTRWTPNFIZNESJ-UWVAXJGDSA-N	1	0	356.470	1.206	20	30		FDEDRO
Cn1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@]3(C)C2)cc1=O	ZINC001091607760	952258269	/nfs/dbraw/zinc/25/82/69/952258269.db2.gz	JWBAASDRYVLXQK-UZLBHIALSA-N	1	0	365.437	1.179	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)NC[C@H]1CC[C@@H](Nc2nccnc2C#N)C1	ZINC001091609503	952275502	/nfs/dbraw/zinc/27/55/02/952275502.db2.gz	QATJGVYHVXWQMT-RRFJBIMHSA-N	1	0	362.453	1.725	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)/C=C/c4ccc[nH]4)C[C@]3(C)C2)C1=O	ZINC001091625513	952353507	/nfs/dbraw/zinc/35/35/07/952353507.db2.gz	XHZBGUMDJANCQO-VDVGAZAASA-N	1	0	368.481	1.595	20	30		FDEDRO
C[C@]12CN(C(=O)CCn3ccnn3)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001091628127	952372829	/nfs/dbraw/zinc/37/28/29/952372829.db2.gz	NNDVJQZLHFLHFS-QUCCMNQESA-N	1	0	364.453	1.520	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+]([C@H](C)C(=O)NCCC)C2	ZINC001147583092	952443211	/nfs/dbraw/zinc/44/32/11/952443211.db2.gz	KRHDUXYCXSJTOL-ZACQAIPSSA-N	1	0	363.502	1.417	20	30		FDEDRO
Cn1nncc1C(=O)N1C[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@]2(C)C1	ZINC001091640180	952453652	/nfs/dbraw/zinc/45/36/52/952453652.db2.gz	RUAADPKYBAITFS-APWZRJJASA-N	1	0	350.426	1.281	20	30		FDEDRO
CCn1ncc(C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@@]3(C)C2)n1	ZINC001091649990	952480852	/nfs/dbraw/zinc/48/08/52/952480852.db2.gz	UUECFMJWTCGTSE-ACJLOTCBSA-N	1	0	370.482	1.825	20	30		FDEDRO
CC1CCN(C(=O)C[N@@H+]2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]3(C)C2)CC1	ZINC001091660586	952522365	/nfs/dbraw/zinc/52/23/65/952522365.db2.gz	NTMDBWFSZQMLOQ-NQIIRXRSSA-N	1	0	357.498	1.439	20	30		FDEDRO
C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cccc(N2CCOC2=O)c1	ZINC000772985621	952536128	/nfs/dbraw/zinc/53/61/28/952536128.db2.gz	TVGKDXQFKPHIGA-XAGMJWQQSA-N	1	0	370.409	1.820	20	30		FDEDRO
C[C@@H]1CCN(C(=O)COCC[NH+](C)C)[C@H](CNc2ncccc2C#N)C1	ZINC001091686557	952641099	/nfs/dbraw/zinc/64/10/99/952641099.db2.gz	IAXYVIOEMNKEFS-WBVHZDCISA-N	1	0	359.474	1.570	20	30		FDEDRO
COCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)ccc1C#N	ZINC001196662804	971849871	/nfs/dbraw/zinc/84/98/71/971849871.db2.gz	GSRPADHBXYRUOT-UHFFFAOYSA-N	1	0	371.890	1.943	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@]2(C)C1	ZINC001091702463	952669767	/nfs/dbraw/zinc/66/97/67/952669767.db2.gz	ZXKCEEHSBJTTEN-GLJUWKHASA-N	1	0	353.894	1.824	20	30		FDEDRO
C[C@]12CN(C(=O)Cn3nccn3)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001091703821	952676942	/nfs/dbraw/zinc/67/69/42/952676942.db2.gz	UHFZEXATKVSORM-MJGOQNOKSA-N	1	0	350.426	1.130	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3ccco3)C2)C1	ZINC001148320978	952686207	/nfs/dbraw/zinc/68/62/07/952686207.db2.gz	LUCOCAFZZSNYLY-ARFHVFGLSA-N	1	0	355.438	1.055	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)C1	ZINC001148418449	952724985	/nfs/dbraw/zinc/72/49/85/952724985.db2.gz	LMCWVDTYCMBXNE-ZWKOTPCHSA-N	1	0	357.498	1.767	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)N(C)C(C)C)C2	ZINC001148423767	952726771	/nfs/dbraw/zinc/72/67/71/952726771.db2.gz	FIXIOSWMSBPFRA-WMZOPIPTSA-N	1	0	363.502	1.369	20	30		FDEDRO
C[C@]12CN(C(=O)C[C@H]3CCNC3=O)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001091734504	952761230	/nfs/dbraw/zinc/76/12/30/952761230.db2.gz	WWRDQBLISAKPAO-FPDPHYFHSA-N	1	0	366.465	1.365	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)Cc3c(CC)nn(C)c3CC)C[C@]2(C)C1	ZINC001091747700	952792043	/nfs/dbraw/zinc/79/20/43/952792043.db2.gz	UNZRVPZEJHQRKJ-IERDGZPVSA-N	1	0	356.514	1.891	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccnn3CC(F)(F)F)C[C@]2(C)C1	ZINC001091763675	952849722	/nfs/dbraw/zinc/84/97/22/952849722.db2.gz	KUDYRVKWWCUJQS-CJNGLKHVSA-N	1	0	354.376	1.863	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)N2CCC(C)CC2)C1	ZINC001196709405	971873691	/nfs/dbraw/zinc/87/36/91/971873691.db2.gz	AJNBHNVCBGAATI-IAGOWNOFSA-N	1	0	351.491	1.153	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H]3CCCN(C)C3=O)C2)cn1	ZINC001086857607	952876086	/nfs/dbraw/zinc/87/60/86/952876086.db2.gz	MCXGKIODSCRRKW-BMGDILEWSA-N	1	0	354.454	1.172	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc(C4CC4)[nH]3)C2)cn1	ZINC001086857709	952876266	/nfs/dbraw/zinc/87/62/66/952876266.db2.gz	RIXIYUWCNQIYHF-SUMWQHHRSA-N	1	0	364.453	1.747	20	30		FDEDRO
CC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001086858063	952877764	/nfs/dbraw/zinc/87/77/64/952877764.db2.gz	MPWBSWGKUYILHP-ZCNNSNEGSA-N	1	0	368.481	1.944	20	30		FDEDRO
CN1C(=O)CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001086865951	952896695	/nfs/dbraw/zinc/89/66/95/952896695.db2.gz	QIANTCMWAJWXSA-IPELMVKDSA-N	1	0	368.481	1.944	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H]3CCN(CC)C3=O)C2)nc1	ZINC001086857015	952903783	/nfs/dbraw/zinc/90/37/83/952903783.db2.gz	GHMIGVGTXXFUQT-JZXOWHBKSA-N	1	0	354.454	1.172	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNC(=O)c1cnccn1)C2	ZINC001110122698	952934738	/nfs/dbraw/zinc/93/47/38/952934738.db2.gz	VKUACRATUUENAY-VYDXJSESSA-N	1	0	357.458	1.284	20	30		FDEDRO
CN1C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)CCC1=O	ZINC001086883317	952935317	/nfs/dbraw/zinc/93/53/17/952935317.db2.gz	DVHHYGFVBDVXLZ-KFKAGJAMSA-N	1	0	368.481	1.801	20	30		FDEDRO
COCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001086959586	952955883	/nfs/dbraw/zinc/95/58/83/952955883.db2.gz	KLWRVSKQESCQAH-ZWKOTPCHSA-N	1	0	353.426	1.022	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCC2CCOCC2)C1	ZINC001086971659	952974991	/nfs/dbraw/zinc/97/49/91/952974991.db2.gz	YMVIKKCJRGDUTJ-JCGIZDLHSA-N	1	0	359.474	1.280	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(C(C)(C)C)nc2C)C[C@H]1c1cnn(C)c1	ZINC001086978399	952990465	/nfs/dbraw/zinc/99/04/65/952990465.db2.gz	UREQMOVUXNIOBS-ZWKOTPCHSA-N	1	0	368.485	1.511	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn3cc(C)ccc3n2)C[C@H]1c1cnn(C)c1	ZINC001086984023	952998305	/nfs/dbraw/zinc/99/83/05/952998305.db2.gz	VJVUXEITVKOXCX-DLBZAZTESA-N	1	0	364.453	1.760	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccnc2C(F)F)C[C@H]1c1cnn(C)c1	ZINC001086987098	953008412	/nfs/dbraw/zinc/00/84/12/953008412.db2.gz	ZHDWGXCNWDWICV-LSDHHAIUSA-N	1	0	359.380	1.584	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cccc3nccn32)C[C@H]1c1cnn(C)c1	ZINC001086987172	953009132	/nfs/dbraw/zinc/00/91/32/953009132.db2.gz	CUIKGWHSUQOVGV-DLBZAZTESA-N	1	0	364.453	1.842	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c(Cl)cnn2CC)C[C@H]1c1cnn(C)c1	ZINC001086980440	953029817	/nfs/dbraw/zinc/02/98/17/953029817.db2.gz	BNTFSIQLYIVYDE-DZGCQCFKSA-N	1	0	362.865	1.674	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C2(c3ccc(F)cc3)CC2)C[C@H]1c1cnn(C)c1	ZINC001086981020	953031438	/nfs/dbraw/zinc/03/14/38/953031438.db2.gz	KBDBKHUFVOFMAZ-RBUKOAKNSA-N	1	0	366.440	1.808	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C3CC3)nc2C)C[C@H]1c1cnn(C)c1	ZINC001086997447	953040062	/nfs/dbraw/zinc/04/00/62/953040062.db2.gz	HDTAUYWUGVAIHF-AZUAARDMSA-N	1	0	363.465	1.832	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)CCO3)C[C@H]1c1cnn(C)c1	ZINC001086998410	953042243	/nfs/dbraw/zinc/04/22/43/953042243.db2.gz	JMWYTKBODBXXPC-ZWKOTPCHSA-N	1	0	350.422	1.186	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2csc3cncn32)C[C@H]1c1cnn(C)c1	ZINC001087000011	953048548	/nfs/dbraw/zinc/04/85/48/953048548.db2.gz	BUKXRZZEENRORO-UONOGXRCSA-N	1	0	356.455	1.513	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(CCC)[nH]c(=O)c2)C[C@H]1c1cnn(C)c1	ZINC001087001175	953054243	/nfs/dbraw/zinc/05/42/43/953054243.db2.gz	HRLWWPUEXHQVNQ-ZWKOTPCHSA-N	1	0	367.453	1.304	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnn(CCC)c2C)C[C@H]1c1cnn(C)c1	ZINC001087003682	953060458	/nfs/dbraw/zinc/06/04/58/953060458.db2.gz	KDMTXMRAMOXCQF-ZWKOTPCHSA-N	1	0	356.474	1.719	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2nn(C)c3ccccc32)C[C@H]1c1cnn(C)c1	ZINC001087006235	953090097	/nfs/dbraw/zinc/09/00/97/953090097.db2.gz	PWWRSRGCIJHAFC-DLBZAZTESA-N	1	0	364.453	1.691	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2c(C)nn(C)c2F)C[C@H]1c1cnn(C)c1	ZINC001087007411	953092830	/nfs/dbraw/zinc/09/28/30/953092830.db2.gz	BWKJGIUZNVVOAF-LSDHHAIUSA-N	1	0	360.437	1.375	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cccnc2OCC)C[C@H]1c1cnn(C)c1	ZINC001087007896	953094313	/nfs/dbraw/zinc/09/43/13/953094313.db2.gz	AWUWKYIMBWRZCM-ZWKOTPCHSA-N	1	0	369.469	1.988	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(OC)ccc2OC)C[C@H]1c1cnn(C)c1	ZINC001087008926	953096714	/nfs/dbraw/zinc/09/67/14/953096714.db2.gz	FBDSCQFNCOTUFJ-ZWKOTPCHSA-N	1	0	370.453	1.821	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1ccccc1N(C)C	ZINC001087035522	953145234	/nfs/dbraw/zinc/14/52/34/953145234.db2.gz	CSDFQMPXQZGGLX-SZVBFZGTSA-N	1	0	358.486	1.865	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1nnc(C(C)(C)C)[nH]1	ZINC001087035845	953146223	/nfs/dbraw/zinc/14/62/23/953146223.db2.gz	OMMCKIIBTHVHTM-BFHYXJOUSA-N	1	0	362.478	1.215	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1cccnc1C	ZINC001087039764	953155893	/nfs/dbraw/zinc/15/58/93/953155893.db2.gz	CXLTYDDQRKXVKR-IEBWSBKVSA-N	1	0	367.453	1.857	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+][C@H](C)c1nnc(C)[nH]1	ZINC001087040027	953156676	/nfs/dbraw/zinc/15/66/76/953156676.db2.gz	OFBQMEBLIZQJTJ-DJSGYFEHSA-N	1	0	371.445	1.141	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1nc(C2CC2)nn1C	ZINC001087052641	953183985	/nfs/dbraw/zinc/18/39/85/953183985.db2.gz	DXRYITWDAYAXAU-IAGOWNOFSA-N	1	0	371.485	1.059	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H]2CCCNC2=O)[C@H](OCC)C1	ZINC001087057585	953192202	/nfs/dbraw/zinc/19/22/02/953192202.db2.gz	KWDJUCHKBHZQFQ-QLFBSQMISA-N	1	0	371.909	1.497	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+][C@H](C)c1nnc(C)[nH]1	ZINC001087046143	953193298	/nfs/dbraw/zinc/19/32/98/953193298.db2.gz	MYZLJTZFXZROSZ-AXAPSJFSSA-N	1	0	371.445	1.141	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+][C@H](C)c1cnccn1	ZINC001087046980	953195634	/nfs/dbraw/zinc/19/56/34/953195634.db2.gz	LMELKBODFLDUER-DDUZABMNSA-N	1	0	368.441	1.504	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1nncs1	ZINC001087047041	953195666	/nfs/dbraw/zinc/19/56/66/953195666.db2.gz	PEKZGYZDQJTOSX-TZMCWYRMSA-N	1	0	360.443	1.005	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2csnn2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087069888	953220744	/nfs/dbraw/zinc/22/07/44/953220744.db2.gz	SPILLXQZHHZOIZ-NVXWUHKLSA-N	1	0	371.466	1.677	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cnn(C)c3)[C@H](OCC)C2)cc1	ZINC001087071396	953225318	/nfs/dbraw/zinc/22/53/18/953225318.db2.gz	NMCRXNGXQRQGKJ-WOJBJXKFSA-N	1	0	366.465	1.668	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]Cc3nncs3)[C@H](OCC)C2)C1	ZINC001087082649	953241424	/nfs/dbraw/zinc/24/14/24/953241424.db2.gz	VANXBCPHGWDTLD-ZIAGYGMSSA-N	1	0	350.488	1.848	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H]2OCC[C@H]2C)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087085209	953246411	/nfs/dbraw/zinc/24/64/11/953246411.db2.gz	SEIROJHCBYZSFA-XLNTUCKNSA-N	1	0	371.481	1.936	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cncc(C)c2)[C@H](OCC)C1	ZINC001087085490	953246770	/nfs/dbraw/zinc/24/67/70/953246770.db2.gz	HWCNFAIEEINOIA-YSTOQKLRSA-N	1	0	373.497	1.934	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]C[C@@H]3CCOC3)[C@H](OCC)C2)nc1	ZINC001087097592	953285089	/nfs/dbraw/zinc/28/50/89/953285089.db2.gz	YRCQPIYFVIEMFK-YQVWRLOYSA-N	1	0	357.454	1.166	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nocc3C)[C@H](OCC)C2)nc1	ZINC001087097580	953285254	/nfs/dbraw/zinc/28/52/54/953285254.db2.gz	YEDDDWCCYNDMQC-VQIMIIECSA-N	1	0	368.437	1.626	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CCN1c1nccnc1C#N	ZINC001091786537	953304809	/nfs/dbraw/zinc/30/48/09/953304809.db2.gz	QDRDPFLCYAQNIC-DOTOQJQBSA-N	1	0	356.474	1.698	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CCN1c1nccnc1C#N	ZINC001091788583	953308594	/nfs/dbraw/zinc/30/85/94/953308594.db2.gz	SKNFETRRLATQMP-DOTOQJQBSA-N	1	0	356.474	1.698	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@H]3C[N@@H+](CC(=O)NC)C[C@@]3(C)C2)cc1	ZINC001091793276	953316604	/nfs/dbraw/zinc/31/66/04/953316604.db2.gz	DBXGMONZELCNOP-UZLBHIALSA-N	1	0	357.454	1.391	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CCN1c1ccc(C#N)cn1	ZINC001091798915	953326995	/nfs/dbraw/zinc/32/69/95/953326995.db2.gz	SUDHLVCCCZDVMC-ZWKOTPCHSA-N	1	0	371.485	1.538	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(Cl)nn(C)c2Cl)C1	ZINC001196836289	971934233	/nfs/dbraw/zinc/93/42/33/971934233.db2.gz	CXQJBGFDFWFJKF-HBNTYKKESA-N	1	0	361.273	1.857	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)Cc3ccc(NC(C)=O)cc3)C[C@]2(C)C1	ZINC001091828717	953508823	/nfs/dbraw/zinc/50/88/23/953508823.db2.gz	XFCNSBRGKMXFJR-NQIIRXRSSA-N	1	0	353.466	1.991	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3COCCN3CC(F)F)C[C@]2(C)C1	ZINC001091883665	953518821	/nfs/dbraw/zinc/51/88/21/953518821.db2.gz	RQUUXSXRTAMDPY-VKJFTORMSA-N	1	0	357.445	1.309	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CCCS3(=O)=O)C[C@]2(C)C1	ZINC001091885133	953523157	/nfs/dbraw/zinc/52/31/57/953523157.db2.gz	GOHUHRKVRSSKPX-RYRKJORJSA-N	1	0	354.516	1.700	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cn(C)nc3[C@@H]3CCOC3)C[C@]2(C)C1	ZINC001091887773	953529375	/nfs/dbraw/zinc/52/93/75/953529375.db2.gz	UNDNRWGVCRMMKL-QINHECLXSA-N	1	0	356.470	1.341	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N2C[C@H]3CCN(c4ncccc4C#N)C[C@H]3C2)CC1	ZINC001091870169	953624882	/nfs/dbraw/zinc/62/48/82/953624882.db2.gz	HAJNJAGGETULHO-SJORKVTESA-N	1	0	353.470	1.580	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@@]2(C)C1	ZINC001091911561	953699445	/nfs/dbraw/zinc/69/94/45/953699445.db2.gz	WEYMLEXWMGXNDV-UZLBHIALSA-N	1	0	363.502	1.228	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@@]2(C)C1	ZINC001091917599	953709164	/nfs/dbraw/zinc/70/91/64/953709164.db2.gz	YTONAZFGIJXOHI-QAPCUYQASA-N	1	0	369.531	1.014	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3cn[nH]c3)cc2)C1	ZINC001196891723	971958968	/nfs/dbraw/zinc/95/89/68/971958968.db2.gz	GMJSWUMOKDFABI-QZTJIDSGSA-N	1	0	356.426	1.054	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)COCC[NH+](C)C)CCN1c1nc(Cl)c(C#N)s1	ZINC001091990095	953897193	/nfs/dbraw/zinc/89/71/93/953897193.db2.gz	SJZVQNBTSZMPBX-MNOVXSKESA-N	1	0	371.894	1.330	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCCC2)CCN1c1cnc(C#N)cn1	ZINC001091971962	953955016	/nfs/dbraw/zinc/95/50/16/953955016.db2.gz	BFARHBZPUUPAOT-WBVHZDCISA-N	1	0	356.474	1.698	20	30		FDEDRO
Cc1cc(C#N)nc(N2CC[C@H](NC(=O)[C@H](C(C)C)[NH+]3CCCC3)[C@H]2C)n1	ZINC001091979817	953977438	/nfs/dbraw/zinc/97/74/38/953977438.db2.gz	TWRZGULFHHNRQU-NJAFHUGGSA-N	1	0	370.501	1.861	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)c2c(C)noc2C)C1	ZINC001196933436	971977578	/nfs/dbraw/zinc/97/75/78/971977578.db2.gz	RLTYJHKFAYSFOS-BZUAXINKSA-N	1	0	351.447	1.149	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]1C[N@H+](Cc1ccc(F)c(C#N)c1)C2	ZINC001092017685	954073580	/nfs/dbraw/zinc/07/35/80/954073580.db2.gz	NLZLCQYVAKCOJN-DICRZQGBSA-N	1	0	370.428	1.099	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCS(=O)(=O)C3)C[C@]2(C)C1	ZINC001092064465	954189629	/nfs/dbraw/zinc/18/96/29/954189629.db2.gz	XMKAOTBUZPGADK-JZXOWHBKSA-N	1	0	354.516	1.558	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@H]3C[N@@H+]([C@H](CC)C(N)=O)C[C@@]3(C)C2)cc1	ZINC001092077492	954222881	/nfs/dbraw/zinc/22/28/81/954222881.db2.gz	ARVAOBSOSAWJIB-BLIXFSHQSA-N	1	0	369.465	1.356	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3C[N@@H+](Cc4cn(C)nc4C)C[C@@]3(C)C2)nn1	ZINC001092081500	954228025	/nfs/dbraw/zinc/22/80/25/954228025.db2.gz	KZCCXZMLMSYJRF-APWZRJJASA-N	1	0	369.473	1.100	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3C[N@@H+](Cc4cnccc4C)C[C@@]3(C)C2)nn1	ZINC001092081547	954228638	/nfs/dbraw/zinc/22/86/38/954228638.db2.gz	MBAQJLSYSZJFPC-XLIONFOSSA-N	1	0	366.469	1.762	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@H]3C[N@@H+](Cc4ocnc4C)C[C@@]3(C)C2)nn1	ZINC001092085054	954234382	/nfs/dbraw/zinc/23/43/82/954234382.db2.gz	AZPCVSYEAGVPFU-BEFAXECRSA-N	1	0	370.457	1.745	20	30		FDEDRO
C[C@]12CN(C(=O)c3cnon3)C[C@H]1C[N@H+](Cc1ccc(OCC#N)cc1)C2	ZINC001092115075	954349273	/nfs/dbraw/zinc/34/92/73/954349273.db2.gz	BALKYYAZFPEZPZ-BEFAXECRSA-N	1	0	367.409	1.566	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cccc(-n4cncn4)n3)C[C@]2(C)C1	ZINC001092149836	954397984	/nfs/dbraw/zinc/39/79/84/954397984.db2.gz	GYJFWCQWYREUGI-BEFAXECRSA-N	1	0	350.426	1.080	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@H]3CCCS(=O)(=O)C3)C[C@]2(C)C1	ZINC001092175942	954464086	/nfs/dbraw/zinc/46/40/86/954464086.db2.gz	NCXDKJYNNFTKLP-NUJGCVRESA-N	1	0	354.516	1.558	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)c3cn([C@H]4CCOC4)nn3)C[C@]2(C)C1	ZINC001092179464	954468251	/nfs/dbraw/zinc/46/82/51/954468251.db2.gz	HNAXIBCDFZCBCC-GJYPPUQNSA-N	1	0	359.474	1.600	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3coc(C4CCOCC4)n3)C[C@]2(C)C1	ZINC001092180527	954472727	/nfs/dbraw/zinc/47/27/27/954472727.db2.gz	WUNSYLBMQAYTGH-UZLBHIALSA-N	1	0	357.454	1.986	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@H+](CC(=O)N4CCCC4)C[C@@]3(C)C2)cn1	ZINC001092211306	954617492	/nfs/dbraw/zinc/61/74/92/954617492.db2.gz	BVTOMMMKGMMHNH-UTKZUKDTSA-N	1	0	366.465	1.079	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+](CCc4cnn(C)c4)C[C@@]3(C)C2)cn1	ZINC001092211814	954618913	/nfs/dbraw/zinc/61/89/13/954618913.db2.gz	OWQJXZIHZUJBPC-NQIIRXRSSA-N	1	0	363.465	1.433	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+]([C@H](C)C(=O)NC4CC4)C[C@@]3(C)C2)cn1	ZINC001092211493	954619319	/nfs/dbraw/zinc/61/93/19/954619319.db2.gz	HENFYMLBAMRBDO-NVAPDCRFSA-N	1	0	366.465	1.124	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+](Cc4cnc(C)cn4)C[C@@]3(C)C2)nc1	ZINC001092211914	954620393	/nfs/dbraw/zinc/62/03/93/954620393.db2.gz	UIMDSERDUVNSPA-UTKZUKDTSA-N	1	0	361.449	1.755	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CCC([NH2+]CCn2cncn2)CC1	ZINC000964021853	1013128997	/nfs/dbraw/zinc/12/89/97/1013128997.db2.gz	KDOUPDVEOUKXIJ-FOIPXRHGSA-N	1	0	361.490	1.619	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)CN3CCc4sccc4C3)C[C@]2(C)C1	ZINC001092296499	954908347	/nfs/dbraw/zinc/90/83/47/954908347.db2.gz	IYUOAHPVWOIZBP-XLIONFOSSA-N	1	0	357.523	1.910	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1	ZINC001092427444	955072305	/nfs/dbraw/zinc/07/23/05/955072305.db2.gz	JMHGCYARNULULQ-HUUCEWRRSA-N	1	0	356.474	1.411	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CNC(=O)C[N@@H+]1CCC(C)(C)C1	ZINC001092445901	955120821	/nfs/dbraw/zinc/12/08/21/955120821.db2.gz	AWRBLGIIYSQIBA-HUUCEWRRSA-N	1	0	356.474	1.269	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CNC(=O)C[N@@H+]1CCC(C)(C)C1	ZINC001092446375	955123891	/nfs/dbraw/zinc/12/38/91/955123891.db2.gz	SZLXOJHRYFJFHD-HUUCEWRRSA-N	1	0	356.474	1.269	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)c1cc[n+]([O-])cc1	ZINC001092447233	955128389	/nfs/dbraw/zinc/12/83/89/955128389.db2.gz	OEHAQBJUPILGTB-UKRRQHHQSA-N	1	0	356.451	1.751	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C	ZINC001092411475	955138370	/nfs/dbraw/zinc/13/83/70/955138370.db2.gz	FUVKGERBMPOJQU-IIAWOOMASA-N	1	0	362.453	1.217	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H](CNC(=O)C3([NH+](C)C)CCC3)[C@H](C)C2)n1	ZINC001092415332	955145157	/nfs/dbraw/zinc/14/51/57/955145157.db2.gz	PEUIUDUMPQBQKY-HUUCEWRRSA-N	1	0	370.501	1.583	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3c(C)noc3C)[C@H](C)C2)C1=O	ZINC001092456138	955169068	/nfs/dbraw/zinc/16/90/68/955169068.db2.gz	GOBZIZJZJFSSMU-WQVCFCJDSA-N	1	0	360.458	1.376	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](CNC(=O)c3cn[nH]c3)[C@H](C)C2)c1	ZINC001092481991	955233862	/nfs/dbraw/zinc/23/38/62/955233862.db2.gz	VOWUPMSMTKHBKA-RHSMWYFYSA-N	1	0	365.437	1.327	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3CCC(=O)N3)[C@H](C)C2)cc1C#N	ZINC001092507358	955282968	/nfs/dbraw/zinc/28/29/68/955282968.db2.gz	CTJUADGQZIQNRB-KBRIMQKVSA-N	1	0	370.453	1.030	20	30		FDEDRO
Cc1c(C(=O)NC[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)nnn1C	ZINC001092518694	955304128	/nfs/dbraw/zinc/30/41/28/955304128.db2.gz	WDHDVGPGFGMNDC-MLGOLLRUSA-N	1	0	370.432	1.632	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)[C@H]1CN(C)CCO1	ZINC001092522046	955315089	/nfs/dbraw/zinc/31/50/89/955315089.db2.gz	JWNYQTWAHUFUPB-CKEIUWERSA-N	1	0	362.499	1.134	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CCNC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001092551495	955404085	/nfs/dbraw/zinc/40/40/85/955404085.db2.gz	IEBSARFZRKUVRL-QGPMSJSTSA-N	1	0	368.485	1.269	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CCNC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001092551416	955404154	/nfs/dbraw/zinc/40/41/54/955404154.db2.gz	CENQHTNDIUVVTN-DJIMGWMZSA-N	1	0	368.485	1.269	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1CCNC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001092551744	955405631	/nfs/dbraw/zinc/40/56/31/955405631.db2.gz	PTLCIYUGHBVDBN-WRWLIDTKSA-N	1	0	367.497	1.874	20	30		FDEDRO
C[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC001092554794	955423775	/nfs/dbraw/zinc/42/37/75/955423775.db2.gz	JMCOYKAFIPLPKB-SIIHOXLZSA-N	1	0	369.469	1.337	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)c1cnn(C)c1N	ZINC001092559009	955448393	/nfs/dbraw/zinc/44/83/93/955448393.db2.gz	VDVGGVBQRCMMFI-NVXWUHKLSA-N	1	0	351.454	1.352	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CCNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001092531261	955489702	/nfs/dbraw/zinc/48/97/02/955489702.db2.gz	CGOBYLNNCXERSI-OWCLPIDISA-N	1	0	356.474	1.269	20	30		FDEDRO
CCn1nnc(C)c1C[N@H+]1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)[C@H](C)C1	ZINC001092531932	955494048	/nfs/dbraw/zinc/49/40/48/955494048.db2.gz	HGYQDFXAMNIXQU-IUODEOHRSA-N	1	0	355.446	1.304	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1CCNC(=O)COCC[NH+](C)C	ZINC001092532723	955498750	/nfs/dbraw/zinc/49/87/50/955498750.db2.gz	PCXRQAKHUGXRAM-HZPDHXFCSA-N	1	0	359.474	1.110	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CCNC(=O)C[NH+]1CCC(C)CC1	ZINC001092540862	955537327	/nfs/dbraw/zinc/53/73/27/955537327.db2.gz	NNENGOKAYXZAHI-IAGOWNOFSA-N	1	0	370.501	1.659	20	30		FDEDRO
CCn1ncc(C(=O)NC[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2C)n1	ZINC001092591683	955573704	/nfs/dbraw/zinc/57/37/04/955573704.db2.gz	MSRHUXBQKZZMAR-SJLPKXTDSA-N	1	0	351.454	1.647	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C	ZINC001092595280	955589537	/nfs/dbraw/zinc/58/95/37/955589537.db2.gz	HELOWZDZRKUOPX-NUJGCVRESA-N	1	0	370.501	1.801	20	30		FDEDRO
C[C@@H]1CN(c2ncccc2C#N)C[C@H]1CCNC(=O)C1(C[NH+](C)C)CC1	ZINC001092574584	955694649	/nfs/dbraw/zinc/69/46/49/955694649.db2.gz	PAAFNUWMCYFWSH-NVXWUHKLSA-N	1	0	355.486	1.874	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)c1cn(C)nn1	ZINC001092579677	955712141	/nfs/dbraw/zinc/71/21/41/955712141.db2.gz	DEBUWQCAKIOQQZ-IUODEOHRSA-N	1	0	356.405	1.324	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)C3C=CC=CC=C3)[C@H](C)C2)C1=O	ZINC001092647998	955786380	/nfs/dbraw/zinc/78/63/80/955786380.db2.gz	BZFVDXNWGFFXCX-QRQLOZEOSA-N	1	0	355.482	1.756	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CCNc2cc(C)ncc2C#N)C1	ZINC001092620052	955848516	/nfs/dbraw/zinc/84/85/16/955848516.db2.gz	VQPOFRAYRQZFCU-NVXWUHKLSA-N	1	0	357.502	1.922	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)c1cn[nH]c(=O)c1	ZINC001092702980	956103194	/nfs/dbraw/zinc/10/31/94/956103194.db2.gz	ZWXBEHHPMFMMHX-MLGOLLRUSA-N	1	0	369.400	1.691	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)NC[C@]23CCC[C@H]2N(c2cnc(C#N)cn2)CC3)C1	ZINC001092715085	956162872	/nfs/dbraw/zinc/16/28/72/956162872.db2.gz	OJKWZYZRGOTOCR-XAUMDUMWSA-N	1	0	368.485	1.555	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3[nH]c(C)cc3C)[C@H](C)C2)C1=O	ZINC001092733027	956218542	/nfs/dbraw/zinc/21/85/42/956218542.db2.gz	GQLMKSHXKKPLGZ-DJIMGWMZSA-N	1	0	358.486	1.716	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)c1ccn(C)c(=O)c1	ZINC001092741946	956242145	/nfs/dbraw/zinc/24/21/45/956242145.db2.gz	LNSAUTDLJFVKQM-UKRRQHHQSA-N	1	0	370.478	1.816	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H](CNC(=O)c3cn[nH]n3)[C@H](C)C2)cc1C#N	ZINC001092759161	956294245	/nfs/dbraw/zinc/29/42/45/956294245.db2.gz	NYNRNDTWFGQGPJ-IUODEOHRSA-N	1	0	354.414	1.183	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@]2(C)CN(c3ccc(C#N)cn3)CCO2)CC[N@@H+]1C	ZINC001092776744	956414138	/nfs/dbraw/zinc/41/41/38/956414138.db2.gz	AUAXDMALNISPLE-IDHHARJASA-N	1	0	357.458	1.005	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@]2(C)CN(c3ccc(C#N)nc3)CCO2)CC[N@@H+]1C	ZINC001092776818	956414266	/nfs/dbraw/zinc/41/42/66/956414266.db2.gz	BXQDNVGCQSBYRR-LSBZLQRGSA-N	1	0	357.458	1.005	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]2C)cc1	ZINC001092876327	956622938	/nfs/dbraw/zinc/62/29/38/956622938.db2.gz	CDBGOOKDEQZXHX-ATZDWAIDSA-N	1	0	363.465	1.745	20	30		FDEDRO
N#Cc1cnc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCC[NH+]2CCCC2)C3)cn1	ZINC001092853168	956687365	/nfs/dbraw/zinc/68/73/65/956687365.db2.gz	DJELIADSBXNZGS-SQNIBIBYSA-N	1	0	368.485	1.840	20	30		FDEDRO
CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1)[NH+](CC)CC	ZINC001092910316	956750196	/nfs/dbraw/zinc/75/01/96/956750196.db2.gz	CCABMQSZGLRIMA-QXSJWSMHSA-N	1	0	356.474	1.695	20	30		FDEDRO
CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1)[NH+](CC)CC	ZINC001092910338	956751176	/nfs/dbraw/zinc/75/11/76/956751176.db2.gz	CPUWXXVNQIOTCN-TWMKSMIVSA-N	1	0	356.474	1.695	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3cc[nH]c3C3CC3)[C@H](C)C2)C1=O	ZINC001092918108	956778138	/nfs/dbraw/zinc/77/81/38/956778138.db2.gz	YKTWADPIIWXETF-KYJSFNMBSA-N	1	0	370.497	1.977	20	30		FDEDRO
Cc1nc[nH]c(=O)c1C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C	ZINC001092903273	956844388	/nfs/dbraw/zinc/84/43/88/956844388.db2.gz	HFYMEMRTNNNBSO-CXAGYDPISA-N	1	0	365.437	1.860	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H](CNC(=O)c3n[nH]cc3F)[C@H](C)C2)cc1C#N	ZINC001092941082	956860370	/nfs/dbraw/zinc/86/03/70/956860370.db2.gz	AYHBDPOUVIHDQH-IUODEOHRSA-N	1	0	371.416	1.927	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1	ZINC001092926549	956930534	/nfs/dbraw/zinc/93/05/34/956930534.db2.gz	DCOUGWHVCVTIPX-YVSFHVDLSA-N	1	0	354.458	1.449	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3nnnn3CC2)[C@H](C)C1	ZINC001092983426	956991465	/nfs/dbraw/zinc/99/14/65/956991465.db2.gz	OPLDUVFYUSPJNC-KWCYVHTRSA-N	1	0	352.870	1.062	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C#N)nc(CC)n1	ZINC001092996403	957088896	/nfs/dbraw/zinc/08/88/96/957088896.db2.gz	XJUCHSUGEDTMPR-ZACQAIPSSA-N	1	0	370.501	1.868	20	30		FDEDRO
C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(Cl)c(C#N)s1	ZINC001093044658	957208807	/nfs/dbraw/zinc/20/88/07/957208807.db2.gz	JIHVJJMCOMWMSI-MXWKQRLJSA-N	1	0	353.879	1.846	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2cn3nc(C)cc3[nH]c2=O)[C@H](C)C1	ZINC001093055098	957237524	/nfs/dbraw/zinc/23/75/24/957237524.db2.gz	IBKCOHLCYSXQIO-ZWNOBZJWSA-N	1	0	363.849	1.381	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[NH+]1CCC(O)(c2nccn2C)CC1	ZINC001197451364	972264982	/nfs/dbraw/zinc/26/49/82/972264982.db2.gz	VISVVYOSEZLRRF-UHFFFAOYSA-N	1	0	356.426	1.663	20	30		FDEDRO
C[N@H+](CC(=O)N[C@]12CCC[C@H]1CN(c1ccc(C#N)nn1)C2)C1CCC1	ZINC001093106454	957474652	/nfs/dbraw/zinc/47/46/52/957474652.db2.gz	RBWVFZBKJCWDTD-LIRRHRJNSA-N	1	0	354.458	1.308	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2ccncc2C#N)C1	ZINC001093114387	957553612	/nfs/dbraw/zinc/55/36/12/957553612.db2.gz	ZGNMLMYOTHYFFW-UKRRQHHQSA-N	1	0	369.391	1.518	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@H]2C)nc1	ZINC001093137958	957631536	/nfs/dbraw/zinc/63/15/36/957631536.db2.gz	LOKIMWMOYMCJRO-SJLPKXTDSA-N	1	0	368.481	1.373	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@@H]1C[N@@H+](Cc2nocc2C)C[C@H]1C	ZINC001093138357	957632478	/nfs/dbraw/zinc/63/24/78/957632478.db2.gz	YLBPLDPEFYBTGZ-GDBMZVCRSA-N	1	0	368.437	1.888	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCCc3nc(C)no3)C[C@H]2C)nc1	ZINC001093141862	957638330	/nfs/dbraw/zinc/63/83/30/957638330.db2.gz	VFMIEJOCHWYNTJ-RHSMWYFYSA-N	1	0	367.453	1.685	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1C	ZINC001093143416	957641717	/nfs/dbraw/zinc/64/17/17/957641717.db2.gz	GHFOXGQSLSPOMI-KZNAEPCWSA-N	1	0	371.481	1.818	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](OC)C(F)(F)F)C1	ZINC001197543447	972294457	/nfs/dbraw/zinc/29/44/57/972294457.db2.gz	PGXIQRILXJRAHH-MGPQQGTHSA-N	1	0	352.397	1.862	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3ccccc3O)C[C@H]2C)C1=O	ZINC001093272705	957940964	/nfs/dbraw/zinc/94/09/64/957940964.db2.gz	VHGDPADJLORTCS-NUJGCVRESA-N	1	0	371.481	1.867	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(C)c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093430305	958050699	/nfs/dbraw/zinc/05/06/99/958050699.db2.gz	LFBLOOWBCZSHJL-MLYOOKFZSA-N	1	0	360.502	1.884	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)nn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093435717	958066344	/nfs/dbraw/zinc/06/63/44/958066344.db2.gz	VLDIMLICRVDGOW-LBKNJMOBSA-N	1	0	360.502	1.884	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCn3ccnn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093443707	958086865	/nfs/dbraw/zinc/08/68/65/958086865.db2.gz	SJUQKOBSCOSOPD-ZAWLATJESA-N	1	0	361.490	1.210	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093444332	958088788	/nfs/dbraw/zinc/08/87/88/958088788.db2.gz	RUDNNWQWVYZWEH-NYCLONFESA-N	1	0	366.893	1.752	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnn3C3CCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093446951	958098201	/nfs/dbraw/zinc/09/82/01/958098201.db2.gz	OJZKLHAJDSRAFN-RDPOXOKHSA-N	1	0	370.497	1.821	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)nc(C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093447812	958103633	/nfs/dbraw/zinc/10/36/33/958103633.db2.gz	ADOVJVLCIRHTKT-XCJLJZCSSA-N	1	0	355.482	1.911	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(F)CCOCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093448262	958107636	/nfs/dbraw/zinc/10/76/36/958107636.db2.gz	GSZPMQNJLGWYCN-KONPQCLYSA-N	1	0	352.450	1.104	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc4n(n3)CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093448386	958107715	/nfs/dbraw/zinc/10/77/15/958107715.db2.gz	IMUUXGZELQVREB-MLYOOKFZSA-N	1	0	358.486	1.595	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc4cc[nH]c4c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093448515	958108728	/nfs/dbraw/zinc/10/87/28/958108728.db2.gz	AAWRYKXNGVQBQA-WERVVEIQSA-N	1	0	366.465	1.776	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(OCC)n[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093451407	958132617	/nfs/dbraw/zinc/13/26/17/958132617.db2.gz	TXBSDJNGDUQBFU-LFEHRJTNSA-N	1	0	360.458	1.021	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3ccncc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093452090	958138159	/nfs/dbraw/zinc/13/81/59/958138159.db2.gz	CMVFJYKIKMUQLJ-QCFAMHMHSA-N	1	0	355.482	1.614	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc(C)n3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093459762	958184929	/nfs/dbraw/zinc/18/49/29/958184929.db2.gz	NCJHCVJAPPZYIA-PHXBYCTMSA-N	1	0	360.502	1.884	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc4n[nH]cc4c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093460852	958190799	/nfs/dbraw/zinc/19/07/99/958190799.db2.gz	ZETVIGCDHPAGRN-WERVVEIQSA-N	1	0	366.465	1.776	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cnc[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093466119	958208150	/nfs/dbraw/zinc/20/81/50/958208150.db2.gz	LNQGYVUSCAFMPE-AHCXZYCDSA-N	1	0	366.893	1.671	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C4CC4)n[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093468379	958217977	/nfs/dbraw/zinc/21/79/77/958217977.db2.gz	ZKXXTPGDSVRRKY-XSYGEPLQSA-N	1	0	356.470	1.500	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]C(C)C)C3)[C@H]2C(C)C)nn1	ZINC001093468362	958218813	/nfs/dbraw/zinc/21/88/13/958218813.db2.gz	YZIIXVDTRXAXLX-KLICCBINSA-N	1	0	361.490	1.452	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3coc(COC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093469874	958224128	/nfs/dbraw/zinc/22/41/28/958224128.db2.gz	MMHOEYWHZAUSDI-LRCYWBKYSA-N	1	0	363.458	1.587	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(CCC=C)nn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093470167	958226798	/nfs/dbraw/zinc/22/67/98/958226798.db2.gz	QKZKKSBPEMHCPG-LBKNJMOBSA-N	1	0	371.485	1.067	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CCF)C3)[C@@H]2C(C)C)cn1	ZINC001093471431	958234602	/nfs/dbraw/zinc/23/46/02/958234602.db2.gz	DJTABSWPYAOIHR-FTEYMNFISA-N	1	0	359.445	1.612	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(CC4CC4)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093474310	958247264	/nfs/dbraw/zinc/24/72/64/958247264.db2.gz	URACELCPLCYVFE-XCJLJZCSSA-N	1	0	370.497	1.506	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc(N(C)C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093474177	958247376	/nfs/dbraw/zinc/24/73/76/958247376.db2.gz	QPFCVQXEPXTTEF-NXLVEIQXSA-N	1	0	369.509	1.966	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncccc3Cl)[C@@H]2C(C)C)C[C@H]1O	ZINC001093474186	958247902	/nfs/dbraw/zinc/24/79/02/958247902.db2.gz	QPXIBFNAVBBJFM-LFEHRJTNSA-N	1	0	361.873	1.948	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccn(C)c3=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001093475537	958252023	/nfs/dbraw/zinc/25/20/23/958252023.db2.gz	YFZUQIVMKFKZOA-VIPLHTEESA-N	1	0	359.470	1.151	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc(Cl)n3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452708	958259147	/nfs/dbraw/zinc/25/91/47/958259147.db2.gz	MWTJEERBBIFJAK-SCFUHWHPSA-N	1	0	364.877	1.286	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3coc(OCC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093454118	958265338	/nfs/dbraw/zinc/26/53/38/958265338.db2.gz	ZFAQGBZWXVUZNG-RGPZOAQRSA-N	1	0	361.442	1.286	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)c2ccn3c[nH+]cc3c2)C[C@@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001093454071	958265370	/nfs/dbraw/zinc/26/53/70/958265370.db2.gz	YMZFUWYQAYISLD-FTEYMNFISA-N	1	0	367.453	1.438	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C(C)C)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093455371	958272765	/nfs/dbraw/zinc/27/27/65/958272765.db2.gz	MKCKMHVMTGABHV-DLVXIWMQSA-N	1	0	358.486	1.677	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(c4cc(C)no4)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093458288	958283077	/nfs/dbraw/zinc/28/30/77/958283077.db2.gz	BWTZJFKEMWJJCU-ZTRFORPCSA-N	1	0	371.481	1.614	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnc(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093477979	958291323	/nfs/dbraw/zinc/29/13/23/958291323.db2.gz	BATPDHWFDYAJPS-SOAMZJECSA-N	1	0	358.486	1.941	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093478083	958292048	/nfs/dbraw/zinc/29/20/48/958292048.db2.gz	BPCCZNBACXGNOO-NQXXRBCYSA-N	1	0	356.510	1.878	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccnc3N(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093478273	958294073	/nfs/dbraw/zinc/29/40/73/958294073.db2.gz	CXHDNJLEDWQSGW-IKVWTGGYSA-N	1	0	370.497	1.361	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc(CC)s3)[C@H]2C(C)C)C[C@H]1O	ZINC001093481840	958308070	/nfs/dbraw/zinc/30/80/70/958308070.db2.gz	YRANXHAGTQBDPI-XNWVLMOPSA-N	1	0	361.511	1.918	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001093618261	958346697	/nfs/dbraw/zinc/34/66/97/958346697.db2.gz	WARKJJBYPLLQDH-NVXWUHKLSA-N	1	0	365.437	1.877	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)Cc3cccs3)C[C@H]2C)C1=O	ZINC001093613944	958375299	/nfs/dbraw/zinc/37/52/99/958375299.db2.gz	UOMIJWIEHWREPQ-INMHGKMJSA-N	1	0	361.511	1.762	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)/C=C/c3ccco3)C[C@H]2C)C1=O	ZINC001093616616	958377605	/nfs/dbraw/zinc/37/76/05/958377605.db2.gz	ZKRMFTOQOBPVRW-LZYNDVPASA-N	1	0	357.454	1.764	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCOC2CCOCC2)C1	ZINC001197673811	972345666	/nfs/dbraw/zinc/34/56/66/972345666.db2.gz	LXJPEPIQKGKQEH-KBAYOESNSA-N	1	0	354.491	1.478	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2COC(C)(C)C)CC1	ZINC001197629259	972346524	/nfs/dbraw/zinc/34/65/24/972346524.db2.gz	DCWJVEJGMAAJNV-MSOLQXFVSA-N	1	0	364.534	1.958	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)Cc2ccon2)C[C@H]1C	ZINC001093684349	958494831	/nfs/dbraw/zinc/49/48/31/958494831.db2.gz	OLVQXOTYBYWVIK-RHSMWYFYSA-N	1	0	368.437	1.982	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001093714991	958580832	/nfs/dbraw/zinc/58/08/32/958580832.db2.gz	ICBMJQFQIYKRJB-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1nnc(C2CC2)[nH]1	ZINC001093722527	958597586	/nfs/dbraw/zinc/59/75/86/958597586.db2.gz	MCTPFYYWBBYIJS-DGCLKSJQSA-N	1	0	353.430	1.380	20	30		FDEDRO
CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)n1C	ZINC001093722494	958598105	/nfs/dbraw/zinc/59/81/05/958598105.db2.gz	JPTJYSDPROJECF-CHWSQXEVSA-N	1	0	355.446	1.075	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)[C@H](C)C1)n1cncn1	ZINC001093725440	958607760	/nfs/dbraw/zinc/60/77/60/958607760.db2.gz	KSBXEWJNYWUHEM-CKEIUWERSA-N	1	0	370.432	1.734	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cncnc2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001093729842	958625941	/nfs/dbraw/zinc/62/59/41/958625941.db2.gz	RIPWDUJSSUSQHG-CXAGYDPISA-N	1	0	353.401	1.985	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001093729948	958627254	/nfs/dbraw/zinc/62/72/54/958627254.db2.gz	UTEATLIWONUVJH-IUODEOHRSA-N	1	0	370.432	1.511	20	30		FDEDRO
CCN1C[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3ccccc3C#N)[C@H](C)C2)CC1=O	ZINC001093804136	958839285	/nfs/dbraw/zinc/83/92/85/958839285.db2.gz	CSTKHXKECUHCOO-AYOQOUSVSA-N	1	0	368.481	1.611	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093804460	958840551	/nfs/dbraw/zinc/84/05/51/958840551.db2.gz	LXUHNSIFBQPOBP-ZTFGCOKTSA-N	1	0	354.454	1.221	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nccnc2C)[C@H](C)C1	ZINC001093778776	958874218	/nfs/dbraw/zinc/87/42/18/958874218.db2.gz	JVKNXTNNEPFHJG-MYZZLAAOSA-N	1	0	358.486	1.950	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093818784	958879478	/nfs/dbraw/zinc/87/94/78/958879478.db2.gz	CYJQMTQAGGEWAG-MGPQQGTHSA-N	1	0	360.483	1.330	20	30		FDEDRO
CC[C@]1(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)cc3)[C@H](C)C2)CCNC1=O	ZINC001093835718	958934576	/nfs/dbraw/zinc/93/45/76/958934576.db2.gz	HMCSCDCBLQRPGI-FPDPHYFHSA-N	1	0	368.481	1.659	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1	ZINC001197724517	972394275	/nfs/dbraw/zinc/39/42/75/972394275.db2.gz	SZNLRZTVQWSVKV-ZACQAIPSSA-N	1	0	351.878	1.593	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H]3CCCNC3=O)[C@H](C)C2)cc1	ZINC001093870618	959055817	/nfs/dbraw/zinc/05/58/17/959055817.db2.gz	ZUMIJOYFSMULRX-SUMDDJOVSA-N	1	0	371.481	1.828	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)ccc2=O)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093908358	959301271	/nfs/dbraw/zinc/30/12/71/959301271.db2.gz	BSCNKNAWBAZZON-CRAIPNDOSA-N	1	0	364.449	1.755	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)c3nnnn3C)[C@H](C)C2)cc1	ZINC001093957967	959354158	/nfs/dbraw/zinc/35/41/58/959354158.db2.gz	YLLHMOQBKXNFQG-JKIFEVAISA-N	1	0	352.442	1.250	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093936200	959393759	/nfs/dbraw/zinc/39/37/59/959393759.db2.gz	FFNFDVSGNULNCL-WIBUTAKZSA-N	1	0	354.454	1.269	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3cc[nH]c3C3CC3)C[C@H]2C)C1=O	ZINC001093998008	959475222	/nfs/dbraw/zinc/47/52/22/959475222.db2.gz	GDNZNCFSLJEDHR-KYJSFNMBSA-N	1	0	370.497	1.977	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3ccn(C)c(=O)c3)[C@H](C)C2)c1	ZINC001094028807	959551938	/nfs/dbraw/zinc/55/19/38/959551938.db2.gz	ILNJGXJYYCZRGF-DNVCBOLYSA-N	1	0	364.449	1.260	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCCC(=O)N2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001094035139	959571605	/nfs/dbraw/zinc/57/16/05/959571605.db2.gz	BGLHBRORQCBCLD-ATZDWAIDSA-N	1	0	368.481	1.801	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnc(OC)nc2C)[C@H](C)C1	ZINC001094055134	959644473	/nfs/dbraw/zinc/64/44/73/959644473.db2.gz	JYRINOJFLXJQIB-PILAGYSTSA-N	1	0	374.485	1.569	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001094055164	959645332	/nfs/dbraw/zinc/64/53/32/959645332.db2.gz	LZEMASYMFMPHGP-CZUORRHYSA-N	1	0	370.432	1.632	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ccn(C)n3)[C@H](C)C2)nn1	ZINC001094101022	959681575	/nfs/dbraw/zinc/68/15/75/959681575.db2.gz	HMUNUDYXZRDKRM-HUUCEWRRSA-N	1	0	357.462	1.086	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ccnc(OC)c3)[C@H](C)C2)nn1	ZINC001094095294	959772014	/nfs/dbraw/zinc/77/20/14/959772014.db2.gz	MCTJGGVOVQQIMW-GDBMZVCRSA-N	1	0	370.457	1.366	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]C[C@H]3CC(C)(C)CO3)[C@H](C)C2)nn1	ZINC001094095666	959774293	/nfs/dbraw/zinc/77/42/93/959774293.db2.gz	VRYNKAOLNZCHNP-BZUAXINKSA-N	1	0	361.490	1.577	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nc(C4CC4)no3)[C@H](C)C2)nc1	ZINC001094172713	959971081	/nfs/dbraw/zinc/97/10/81/959971081.db2.gz	WWZOIAZPTDVUQG-CZUORRHYSA-N	1	0	365.437	1.821	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nc(CCC)no3)[C@H](C)C2)nc1	ZINC001094172670	959971131	/nfs/dbraw/zinc/97/11/31/959971131.db2.gz	UZCQHTOUAQSPTC-GDBMZVCRSA-N	1	0	367.453	1.896	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](C)c3nncn3C)[C@H](C)C2)nc1	ZINC001094174246	959976035	/nfs/dbraw/zinc/97/60/35/959976035.db2.gz	AMPKKJNQBXNAJP-IIAWOOMASA-N	1	0	352.442	1.250	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001094215438	960022094	/nfs/dbraw/zinc/02/20/94/960022094.db2.gz	YEHQAXRCQHDTND-HUUCEWRRSA-N	1	0	370.478	1.666	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)n(CC3CC3)c2C)C1	ZINC001197850136	972474025	/nfs/dbraw/zinc/47/40/25/972474025.db2.gz	DWUCXYSTEVWYCN-RTBURBONSA-N	1	0	361.486	1.492	20	30		FDEDRO
C=C[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1)c1ccccc1	ZINC001094237229	960149925	/nfs/dbraw/zinc/14/99/25/960149925.db2.gz	YMYGRCMCFCSDRS-OIISXLGYSA-N	1	0	369.469	1.262	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001094247291	960178552	/nfs/dbraw/zinc/17/85/52/960178552.db2.gz	TWOGQSPZZODQQR-RHSMWYFYSA-N	1	0	367.453	1.093	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCc1cn(C2C[NH+](C[C@H](C)CC)C2)nn1	ZINC001094290244	960253422	/nfs/dbraw/zinc/25/34/22/960253422.db2.gz	AAXAEDFQOXABQD-OLMNPRSZSA-N	1	0	361.490	1.778	20	30		FDEDRO
C#C[C@H](NC(=O)NCCc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCCO1	ZINC000773278199	960294348	/nfs/dbraw/zinc/29/43/48/960294348.db2.gz	XKUVCUXLKLJSOD-RBUKOAKNSA-N	1	0	359.470	1.650	20	30		FDEDRO
C#C[C@H](NC(=O)NCCc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCCO1	ZINC000773278197	960294624	/nfs/dbraw/zinc/29/46/24/960294624.db2.gz	XKUVCUXLKLJSOD-OALUTQOASA-N	1	0	359.470	1.650	20	30		FDEDRO
CCCC[C@@H](CNc1ccnc(C#N)n1)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001114325086	972498896	/nfs/dbraw/zinc/49/88/96/972498896.db2.gz	PCHXWARFZJVHAV-HRCADAONSA-N	1	0	358.490	1.587	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(OCC(N)=O)cc3)CCC[C@@H]12	ZINC001094463560	960461398	/nfs/dbraw/zinc/46/13/98/960461398.db2.gz	RHKKEGDPOFCMRU-YLJYHZDGSA-N	1	0	357.454	1.711	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccn(C)n1)CC2	ZINC001094436711	960479247	/nfs/dbraw/zinc/47/92/47/960479247.db2.gz	FGVUJVRBRRFUJE-QKNQBKEWSA-N	1	0	369.513	1.379	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4ccc(OC)nn43)CCC[C@@H]12	ZINC001094449807	960520693	/nfs/dbraw/zinc/52/06/93/960520693.db2.gz	XGBBTDGARUNZGI-DNVCBOLYSA-N	1	0	355.442	1.898	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccnc(N4CCCC4)n3)CCC[C@@H]12	ZINC001094451265	960529652	/nfs/dbraw/zinc/52/96/52/960529652.db2.gz	UVMXMGGEJCBJGQ-YLJYHZDGSA-N	1	0	353.470	1.684	20	30		FDEDRO
Cn1nnc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2ccc(C#N)s2)CC3)n1	ZINC001094492655	960590793	/nfs/dbraw/zinc/59/07/93/960590793.db2.gz	BPTYRRSNLJMVDE-RHSMWYFYSA-N	1	0	371.470	1.318	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccnc4c3nnn4C)CCC[C@@H]12	ZINC001094498957	960618975	/nfs/dbraw/zinc/61/89/75/960618975.db2.gz	XWEGXJFWILFKHJ-DNVCBOLYSA-N	1	0	354.458	1.914	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(Cn4ccnn4)o3)CCC[C@@H]12	ZINC001094471614	960638052	/nfs/dbraw/zinc/63/80/52/960638052.db2.gz	ROKLQEIMINSXCG-UYAOXDASSA-N	1	0	367.453	1.917	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2	ZINC001110158867	960685820	/nfs/dbraw/zinc/68/58/20/960685820.db2.gz	WVSDFNPTZUPKPG-FYQPLNBISA-N	1	0	361.530	1.868	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnnn1C)CC2	ZINC001094515829	960709422	/nfs/dbraw/zinc/70/94/22/960709422.db2.gz	LRCYQARVIWMPBG-SFNKJDCFSA-N	1	0	359.474	1.267	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C1(c2cccc(OC(F)(F)F)c2)CCOCC1	ZINC000773915889	960797452	/nfs/dbraw/zinc/79/74/52/960797452.db2.gz	LBUFXRDBZNADKG-UHFFFAOYSA-N	1	0	356.344	1.930	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cc4c(cn3)nc[nH]c4=O)CCC[C@@H]12	ZINC001094567506	960834015	/nfs/dbraw/zinc/83/40/15/960834015.db2.gz	BFFUKNVYGSWOJE-YLJYHZDGSA-N	1	0	365.437	1.728	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2nccn2C)C1	ZINC001181525387	960904609	/nfs/dbraw/zinc/90/46/09/960904609.db2.gz	MYHLLJVYCKWXHA-PDOICOKGSA-N	1	0	360.502	1.976	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2nncn2C)C1	ZINC001181525988	960907195	/nfs/dbraw/zinc/90/71/95/960907195.db2.gz	ZEHPESISCVHLJH-OAFZBRQQSA-N	1	0	361.490	1.371	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@@]3(CNC(=O)c4[nH]cnc4C)CCC[C@@H]23)C1=O	ZINC001094591712	960924888	/nfs/dbraw/zinc/92/48/88/960924888.db2.gz	YCRBWSBYCMPFDQ-JXXFODFXSA-N	1	0	371.485	1.479	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc4nnn(C)c43)CCC[C@@H]12	ZINC001094591597	960925778	/nfs/dbraw/zinc/92/57/78/960925778.db2.gz	VZIHOXPRKODDQB-YLJYHZDGSA-N	1	0	351.454	1.966	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC(=O)N(C2C[NH+](CC3CCC3)C2)C1	ZINC001094737011	961128940	/nfs/dbraw/zinc/12/89/40/961128940.db2.gz	QNJHSQMDYLMNBI-JQHSSLGASA-N	1	0	361.486	1.169	20	30		FDEDRO
C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000773945340	961135162	/nfs/dbraw/zinc/13/51/62/961135162.db2.gz	SZNDIYZPAYRPAJ-INIZCTEOSA-N	1	0	356.470	1.243	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C	ZINC001181863013	961226115	/nfs/dbraw/zinc/22/61/15/961226115.db2.gz	LTCGSXJRJZGIGF-KBPBESRZSA-N	1	0	351.447	1.679	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@]12CCC[C@H]1OCC2	ZINC001171765026	961289584	/nfs/dbraw/zinc/28/95/84/961289584.db2.gz	KGJVOESWLCACSW-MDZRGWNJSA-N	1	0	351.491	1.512	20	30		FDEDRO
N#Cc1cc(Br)ccc1-c1noc(C2=NO[C@@H]3C[NH2+]C[C@@H]23)n1	ZINC001212627265	961301991	/nfs/dbraw/zinc/30/19/91/961301991.db2.gz	KCOCPDWTUDDQCX-GHMZBOCLSA-N	1	0	360.171	1.693	20	30		FDEDRO
C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	ZINC001171879238	961357159	/nfs/dbraw/zinc/35/71/59/961357159.db2.gz	RNTVLLUVQIUCGT-OTWHNJEPSA-N	1	0	367.534	1.707	20	30		FDEDRO
C[C@H]1C(=O)OC[C@H]1C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1	ZINC001182085728	961420912	/nfs/dbraw/zinc/42/09/12/961420912.db2.gz	CPAOGWZSVMVOLZ-BNEJOLLZSA-N	1	0	355.438	1.966	20	30		FDEDRO
CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H](C)Cc1ccc(C#N)cc1)C2	ZINC001172304724	961615302	/nfs/dbraw/zinc/61/53/02/961615302.db2.gz	PGQFZEKSZBEHNG-LKUPVBHCSA-N	1	0	371.481	1.875	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)N([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccccn1	ZINC001172310861	961617982	/nfs/dbraw/zinc/61/79/82/961617982.db2.gz	KHBTXRZXQLHFBQ-YJBOKZPZSA-N	1	0	370.478	1.937	20	30		FDEDRO
CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CC[N@@H+]([C@@H](C)CCCC#N)C2	ZINC001172495300	961686504	/nfs/dbraw/zinc/68/65/04/961686504.db2.gz	OYMAPEWFSFJZCE-JXFKEZNVSA-N	1	0	369.469	1.804	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCN(C3COC3)C2)C[C@H]1C#N	ZINC001172966494	961851737	/nfs/dbraw/zinc/85/17/37/961851737.db2.gz	AORZEKKBVXEOFP-OAGGEKHMSA-N	1	0	364.490	1.731	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CCN(c3ncccn3)C2)C[C@H]1C#N	ZINC001172968203	961853829	/nfs/dbraw/zinc/85/38/29/961853829.db2.gz	OTJXERNNQIMALC-PMPSAXMXSA-N	1	0	372.473	1.937	20	30		FDEDRO
CC[C@H](C)[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C(=O)NO	ZINC001172978471	961863160	/nfs/dbraw/zinc/86/31/60/961863160.db2.gz	MMWAGSBEXHGIOS-CRWXNKLISA-N	1	0	354.451	1.788	20	30		FDEDRO
CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1	ZINC001172986768	961868868	/nfs/dbraw/zinc/86/88/68/961868868.db2.gz	YETGNOPYJGDAIP-CAOSSQGBSA-N	1	0	362.474	1.973	20	30		FDEDRO
C=CCOC1CCC([N@@H+]2C[C@H]3CCN(S(=O)(=O)N(C)C)C[C@@H]3C2)CC1	ZINC001173321134	962003330	/nfs/dbraw/zinc/00/33/30/962003330.db2.gz	XNFREKTUFOOMSW-VEZWFGLTSA-N	1	0	371.547	1.560	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+]CCC(=O)N3CCOCC3)CC2)cc1	ZINC001173421599	962118096	/nfs/dbraw/zinc/11/80/96/962118096.db2.gz	XWHIGOYTKHYPDR-UHFFFAOYSA-N	1	0	370.453	1.001	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+]CCN3CCSCC3)CC2)cc1	ZINC001173424121	962125723	/nfs/dbraw/zinc/12/57/23/962125723.db2.gz	SWLIXMDKOWRWPF-UHFFFAOYSA-N	1	0	358.511	1.801	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+]C[C@@H]3CCS(=O)(=O)C3)CC2)cc1	ZINC001173426272	962135887	/nfs/dbraw/zinc/13/58/87/962135887.db2.gz	SGOILYIVXPCJNS-HNNXBMFYSA-N	1	0	361.467	1.187	20	30		FDEDRO
COC(=O)[C@@]1(F)CC[N@@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1	ZINC001173429576	962146242	/nfs/dbraw/zinc/14/62/42/962146242.db2.gz	ZULXOZOJCRVQAU-LJQANCHMSA-N	1	0	359.401	1.750	20	30		FDEDRO
CNC(=O)NC1CC[NH+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1	ZINC001173434122	962156973	/nfs/dbraw/zinc/15/69/73/962156973.db2.gz	DQIPOXOWPNKDHL-UHFFFAOYSA-N	1	0	369.469	1.556	20	30		FDEDRO
C=CCN1CC[NH+](C2CCN(CC(=O)OCc3ccccc3)CC2)CC1	ZINC001173471055	962199239	/nfs/dbraw/zinc/19/92/39/962199239.db2.gz	LVKSSGNPLYTIPW-UHFFFAOYSA-N	1	0	357.498	1.998	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C	ZINC000957505713	1013329375	/nfs/dbraw/zinc/32/93/75/1013329375.db2.gz	PRONPFATPOHLKZ-OZOXKJRCSA-N	1	0	369.509	1.760	20	30		FDEDRO
C=C1CCC(C(=O)N2CCOC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC000964212228	1013360726	/nfs/dbraw/zinc/36/07/26/1013360726.db2.gz	LNAMWUICJQCVJT-BPQIPLTHSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C1	ZINC001183044781	962757729	/nfs/dbraw/zinc/75/77/29/962757729.db2.gz	MWRMGKPAPNECEM-HUUCEWRRSA-N	1	0	353.463	1.125	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCCOC(C)C)CCCO1	ZINC001150343157	962800387	/nfs/dbraw/zinc/80/03/87/962800387.db2.gz	QNIAXNIUMWHETE-KSZLIROESA-N	1	0	354.491	1.600	20	30		FDEDRO
CC[N@H+](CCCC(=O)N[C@@H](C#N)C(N)=O)[C@H](C)Cc1ccc(OC)cc1	ZINC001183149725	962834297	/nfs/dbraw/zinc/83/42/97/962834297.db2.gz	HAESGJZMBNDXFC-PBHICJAKSA-N	1	0	360.458	1.222	20	30		FDEDRO
C=CCOC(=O)c1c(N)nn(-c2ccc(N3CC[NH+](C)CC3)cc2)c1N	ZINC001174815605	962945980	/nfs/dbraw/zinc/94/59/80/962945980.db2.gz	LFOHJTOQAMCKML-UHFFFAOYSA-N	1	0	356.430	1.131	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1=O	ZINC001183311184	962970588	/nfs/dbraw/zinc/97/05/88/962970588.db2.gz	VFJMOMVDWCBBLN-LSDHHAIUSA-N	1	0	365.474	1.579	20	30		FDEDRO
C[C@@H](CCCC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)[C@H]1C[C@H]1C(N)=O	ZINC001175288257	963123147	/nfs/dbraw/zinc/12/31/47/963123147.db2.gz	INYAOQDUFDTQJD-QGTPRVQTSA-N	1	0	359.445	1.563	20	30		FDEDRO
C=C1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)NC2(CO)CC[NH+](C)CC2)C1	ZINC001183627198	963200324	/nfs/dbraw/zinc/20/03/24/963200324.db2.gz	OFILYJXINBUYJC-SFHVURJKSA-N	1	0	367.490	1.515	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C1	ZINC001183629158	963201337	/nfs/dbraw/zinc/20/13/37/963201337.db2.gz	JNVGRWIFGFKTCJ-MCIONIFRSA-N	1	0	359.392	1.295	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1C1CC1	ZINC001175644997	963245881	/nfs/dbraw/zinc/24/58/81/963245881.db2.gz	RCSONDSNYQPMOW-CWRNSKLLSA-N	1	0	364.490	1.309	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000796456070	1013406305	/nfs/dbraw/zinc/40/63/05/1013406305.db2.gz	BGARLEXOBXYJNO-AEFFLSMTSA-N	1	0	357.454	1.763	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NC1CC1	ZINC001175664161	963260552	/nfs/dbraw/zinc/26/05/52/963260552.db2.gz	QSJFSALXMBLONW-ZVZYQTTQSA-N	1	0	351.491	1.511	20	30		FDEDRO
CNC(=O)CN1CCCN(Cc2ccc(C#N)cc2C(F)(F)F)CC1	ZINC001176304874	963422161	/nfs/dbraw/zinc/42/21/61/963422161.db2.gz	SJZDEVSQENGEGZ-UHFFFAOYSA-N	1	0	354.376	1.831	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc(-n3cncn3)c1)C2	ZINC001110196141	963468379	/nfs/dbraw/zinc/46/83/79/963468379.db2.gz	VHPGICRWESYFTI-IKGGRYGDSA-N	1	0	352.442	1.964	20	30		FDEDRO
C[NH+]1CCN(c2ccc(Nc3c(C#N)cnc4c(C#N)cnn43)cn2)CC1	ZINC001176654542	963518491	/nfs/dbraw/zinc/51/84/91/963518491.db2.gz	IVCWFFYMLQSSOQ-UHFFFAOYSA-N	1	0	359.397	1.363	20	30		FDEDRO
C#Cc1cccc(NC(=O)NC(=O)C[NH2+][C@@H]2CCOC23CCOCC3)c1	ZINC001176832763	963563660	/nfs/dbraw/zinc/56/36/60/963563660.db2.gz	HWOGZCKQWVFSJX-MRXNPFEDSA-N	1	0	357.410	1.244	20	30		FDEDRO
CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CN(c4cccc(C#N)c4)C(=O)O3)C[C@H]2C1	ZINC001184382565	963569521	/nfs/dbraw/zinc/56/95/21/963569521.db2.gz	XCTLVTANIQJLRH-JFIYKMOQSA-N	1	0	368.437	1.684	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1	ZINC001184469572	963630007	/nfs/dbraw/zinc/63/00/07/963630007.db2.gz	IOHLBPQITQQNTF-KURKYZTESA-N	1	0	351.491	1.023	20	30		FDEDRO
C=C1CC(C)(C(=O)N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)C1	ZINC001184783049	963716920	/nfs/dbraw/zinc/71/69/20/963716920.db2.gz	QKYTYIIYNDCRBQ-QGZVFWFLSA-N	1	0	373.501	1.710	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3n(c1)CCCC3)C2	ZINC001110216574	964103350	/nfs/dbraw/zinc/10/33/50/964103350.db2.gz	USHNLKFCTAVQNI-OAOYMFHYSA-N	1	0	368.481	1.297	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCCCS(N)(=O)=O)C2	ZINC001110222645	964333707	/nfs/dbraw/zinc/33/37/07/964333707.db2.gz	XZNKCIYUARQYAU-NCOADZHNSA-N	1	0	371.547	1.912	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H](C)NC(N)=O)C1	ZINC001186189388	964340447	/nfs/dbraw/zinc/34/04/47/964340447.db2.gz	OTHIZWFCIHFBEO-YSVLISHTSA-N	1	0	360.433	1.037	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N(CCC)CCC)C1	ZINC001186243474	964370317	/nfs/dbraw/zinc/37/03/17/964370317.db2.gz	HSIQUAHXGBOMPB-AOIWGVFYSA-N	1	0	365.518	1.807	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC12CCOCC2	ZINC001186402106	964474328	/nfs/dbraw/zinc/47/43/28/964474328.db2.gz	FWOZWJFHPSPJPH-BRWVUGGUSA-N	1	0	356.470	1.381	20	30		FDEDRO
C=CCOCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[C@@H](C)O2)CC12CCOCC2	ZINC001186503462	964531386	/nfs/dbraw/zinc/53/13/86/964531386.db2.gz	HGPNYKDEXYBGJU-FGTMMUONSA-N	1	0	366.502	1.601	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCCC1	ZINC000775036002	964589197	/nfs/dbraw/zinc/58/91/97/964589197.db2.gz	IVRMEESGXIHOSI-GOSISDBHSA-N	1	0	353.466	1.782	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)NC(C)=O)[C@@H]3C2)cc1C#N	ZINC001186749873	964705011	/nfs/dbraw/zinc/70/50/11/964705011.db2.gz	ONWNZUWJSKORCV-RPVQJOFSSA-N	1	0	370.453	1.124	20	30		FDEDRO
N#Cc1csc(CNC(=O)[C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)n1	ZINC001179370856	964850288	/nfs/dbraw/zinc/85/02/88/964850288.db2.gz	DGALZSFAERKQBN-GOSISDBHSA-N	1	0	356.451	1.658	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C=C)[C@H]1C	ZINC001179561637	964899092	/nfs/dbraw/zinc/89/90/92/964899092.db2.gz	MIWBNHUXSNTCSK-MHORFTMASA-N	1	0	361.486	1.357	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC(CC)CC)[C@@H]1C	ZINC001179561820	964900517	/nfs/dbraw/zinc/90/05/17/964900517.db2.gz	RSDSEMDATLNEGV-ORQFMDKSSA-N	1	0	351.491	1.461	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CCCCCCNC(=O)[C@H]2C[C@H]2C(N)=O)c(F)c1	ZINC001179602003	964926502	/nfs/dbraw/zinc/92/65/02/964926502.db2.gz	VYYYPTBWCNSMOS-CVEARBPZSA-N	1	0	360.433	1.585	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CCC2)[C@H]1C	ZINC001179692185	964945651	/nfs/dbraw/zinc/94/56/51/964945651.db2.gz	LRLRARFMSIXBTA-HNKHHVNMSA-N	1	0	362.474	1.013	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCCCCC[NH2+]C[C@@H](O)COC	ZINC001179781045	964975805	/nfs/dbraw/zinc/97/58/05/964975805.db2.gz	GGIAGFMKJSMIBJ-SQNIBIBYSA-N	1	0	356.507	1.631	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCCCC[NH2+]CCNC(=O)C1CC1	ZINC001179797133	964993205	/nfs/dbraw/zinc/99/32/05/964993205.db2.gz	NPVSUHXMEVYUQG-ROUUACIJSA-N	1	0	365.518	1.760	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2cc(=O)c(OC)co2)C1	ZINC000962327777	1013539411	/nfs/dbraw/zinc/53/94/11/1013539411.db2.gz	FXTSLMYYBHGFCP-SGALNCENSA-N	1	0	362.426	1.224	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)c3cc(F)ccc3F)C[C@H]21	ZINC001187280675	965161233	/nfs/dbraw/zinc/16/12/33/965161233.db2.gz	OWYNTEUBFBQTPH-VHSSKADRSA-N	1	0	366.408	1.734	20	30		FDEDRO
CCC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OCC#N)cc1	ZINC001110392396	965185146	/nfs/dbraw/zinc/18/51/46/965185146.db2.gz	MFIPCFOQJOWSSZ-NXHRZFHOSA-N	1	0	370.453	1.337	20	30		FDEDRO
COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)Nc1c[nH]nc1C#N	ZINC001180405016	965307680	/nfs/dbraw/zinc/30/76/80/965307680.db2.gz	BARREPQQENZZTN-UONOGXRCSA-N	1	0	353.382	1.141	20	30		FDEDRO
COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)Nc1cn(C)nc1C#N	ZINC001180405734	965309976	/nfs/dbraw/zinc/30/99/76/965309976.db2.gz	QBOAPQYRXSZOOI-LSDHHAIUSA-N	1	0	367.409	1.151	20	30		FDEDRO
COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCCC[C@H]1C#N	ZINC001180408542	965312693	/nfs/dbraw/zinc/31/26/93/965312693.db2.gz	ZQRFMTBTKNUQSC-OKZBNKHCSA-N	1	0	355.438	1.812	20	30		FDEDRO
CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1	ZINC001187465243	965380088	/nfs/dbraw/zinc/38/00/88/965380088.db2.gz	CMSGGQWRSCUWDU-XYJFISCASA-N	1	0	360.458	1.066	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]21	ZINC001187466307	965381937	/nfs/dbraw/zinc/38/19/37/965381937.db2.gz	XMTTXSFPZBKRBH-RRFJBIMHSA-N	1	0	364.408	1.815	20	30		FDEDRO
C#C[C@@H]([NH2+]CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCCO1	ZINC000796012726	1013596393	/nfs/dbraw/zinc/59/63/93/1013596393.db2.gz	UXUAHGYVYVCEDG-HZPDHXFCSA-N	1	0	365.474	1.226	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)N3CCCCC3=O)[C@@H]2C1	ZINC001187895878	965836884	/nfs/dbraw/zinc/83/68/84/965836884.db2.gz	SXTFLALKUISOQB-FGTMMUONSA-N	1	0	363.502	1.513	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN(C(=O)CC)C3)[C@@H]2C1	ZINC001187998855	965953510	/nfs/dbraw/zinc/95/35/10/965953510.db2.gz	XSFGGJWTWOSHIC-OKZBNKHCSA-N	1	0	363.502	1.370	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cncc4ncn(C)c43)[C@@H]2C1	ZINC001188247620	966117559	/nfs/dbraw/zinc/11/75/59/966117559.db2.gz	ZKSFSRWQFUZJJH-WMLDXEAASA-N	1	0	355.442	1.317	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cnn4ccccc34)[C@@H]2C1	ZINC001188231708	966142299	/nfs/dbraw/zinc/14/22/99/966142299.db2.gz	YEZMLXHIAFIOIS-QFBILLFUSA-N	1	0	354.454	1.612	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)c3c(C)noc3C)[C@@H]2C1	ZINC001188369944	966241423	/nfs/dbraw/zinc/24/14/23/966241423.db2.gz	SVJAHSQMFNEGII-JCGIZDLHSA-N	1	0	359.470	1.968	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3cccnc3)[C@@H]2C1	ZINC001188464607	966336330	/nfs/dbraw/zinc/33/63/30/966336330.db2.gz	WORGSFLQRFQXSN-BPQIPLTHSA-N	1	0	356.470	1.238	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(OC)c(F)c3)[C@@H]2C1	ZINC001188476074	966346379	/nfs/dbraw/zinc/34/63/79/966346379.db2.gz	GDUPTXFRFMODGA-FUHWJXTLSA-N	1	0	360.429	1.559	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3cncc(C)c3)[C@@H]2C1	ZINC001188510471	966385758	/nfs/dbraw/zinc/38/57/58/966385758.db2.gz	VXJWEMWNJHLRCJ-YTQUADARSA-N	1	0	370.497	1.546	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)c3ccn4ccnc4c3)[C@@H]2C1	ZINC001188535358	966406125	/nfs/dbraw/zinc/40/61/25/966406125.db2.gz	BNXTXLAVHRSTPA-BHYGNILZSA-N	1	0	367.453	1.171	20	30		FDEDRO
C[C@@H](CC(N)=O)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21	ZINC001188793231	966556540	/nfs/dbraw/zinc/55/65/40/966556540.db2.gz	GQFUTHMZIVVHSW-QILLFSRXSA-N	1	0	370.453	1.133	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]21	ZINC001188909007	966649074	/nfs/dbraw/zinc/64/90/74/966649074.db2.gz	MMOHJQUGEMAKCA-OWCLPIDISA-N	1	0	357.520	1.013	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3CN([C@@H](C)C(=O)NCCCC)C[C@H]32)c1	ZINC001189076934	966751267	/nfs/dbraw/zinc/75/12/67/966751267.db2.gz	FIFOVXYXXIRPCM-VDZJLULYSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ccc(Cl)c(F)c3)[C@@H]2C1	ZINC001189213282	966862479	/nfs/dbraw/zinc/86/24/79/966862479.db2.gz	YKUMUOVJNCGSBC-XJKSGUPXSA-N	1	0	363.820	1.375	20	30		FDEDRO
COCCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001189302456	966880248	/nfs/dbraw/zinc/88/02/48/966880248.db2.gz	DFDNLPAKDYSZOU-AYOQOUSVSA-N	1	0	357.454	1.642	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c(C)noc3C)[C@@H]2C1	ZINC001189343161	966923891	/nfs/dbraw/zinc/92/38/91/966923891.db2.gz	YTFGZHCILRFOSE-DKSSEZFCSA-N	1	0	359.470	1.653	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CCN(C(=O)CC2CC[NH+](C)CC2)C1	ZINC000957641324	1013692731	/nfs/dbraw/zinc/69/27/31/1013692731.db2.gz	QXGJFPWHOBFRKJ-FUHIMQAGSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1	ZINC000957644027	1013701211	/nfs/dbraw/zinc/70/12/11/1013701211.db2.gz	UZCMIDCGABNEIJ-GUXCAODWSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C	ZINC000964543392	1013706450	/nfs/dbraw/zinc/70/64/50/1013706450.db2.gz	BZHVJAINRQCLIU-XDNAFOTISA-N	1	0	363.502	1.559	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCC([C@@H]2CCC[N@H+](CC(=O)NCC#N)C2)CC1	ZINC000852303744	967203155	/nfs/dbraw/zinc/20/31/55/967203155.db2.gz	YROAHUUTSIZDSH-MRXNPFEDSA-N	1	0	364.490	1.985	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)C1=O	ZINC000852452307	967328233	/nfs/dbraw/zinc/32/82/33/967328233.db2.gz	UYCZAKDBXFXPCS-ZIAGYGMSSA-N	1	0	367.371	1.883	20	30		FDEDRO
C#C[C@H]([NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OC)c1)[C@H]1CCCO1	ZINC000775341267	967518710	/nfs/dbraw/zinc/51/87/10/967518710.db2.gz	LBOMAFISUIUSMM-UONOGXRCSA-N	1	0	352.818	1.483	20	30		FDEDRO
C#CCC[N@@H+](CCOC)Cc1cc(=O)n2cc(Br)ccc2n1	ZINC000852752269	967578271	/nfs/dbraw/zinc/57/82/71/967578271.db2.gz	STTMXMUDSVTTBR-UHFFFAOYSA-N	1	0	364.243	1.929	20	30		FDEDRO
CCN(CC)C(=O)[C@H](Cc1ccccc1)NC(=O)C#CC1CC[NH2+]CC1	ZINC000852803870	967619281	/nfs/dbraw/zinc/61/92/81/967619281.db2.gz	FLYFPJXJFMMCOL-IBGZPJMESA-N	1	0	355.482	1.585	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1	ZINC000852807325	967621203	/nfs/dbraw/zinc/62/12/03/967621203.db2.gz	RJOXESMMBRRAKQ-UHFFFAOYSA-N	1	0	352.438	1.908	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3nc(C)cc3C)[C@@H]2C1	ZINC001190178306	967629698	/nfs/dbraw/zinc/62/96/98/967629698.db2.gz	WPSIZWCFVHZTBZ-GBESFXJTSA-N	1	0	358.486	1.634	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCN(C(=O)Cc2ccccc2F)CC1	ZINC000852822506	967633133	/nfs/dbraw/zinc/63/31/33/967633133.db2.gz	QNMFBSZKGGGDED-UHFFFAOYSA-N	1	0	357.429	1.042	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)Nc1ccc(CN2C(=O)CSC2=O)cc1	ZINC000852825543	967637300	/nfs/dbraw/zinc/63/73/00/967637300.db2.gz	QWGCBPZWFDPIFZ-UHFFFAOYSA-N	1	0	357.435	1.824	20	30		FDEDRO
CCC[C@H](NC(=O)C#CC1CC[NH2+]CC1)C(=O)N1CCc2sccc2C1	ZINC000852828866	967639369	/nfs/dbraw/zinc/63/93/69/967639369.db2.gz	UBIAFUHYOIPDGV-KRWDZBQOSA-N	1	0	373.522	1.921	20	30		FDEDRO
C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1	ZINC001190230368	967646185	/nfs/dbraw/zinc/64/61/85/967646185.db2.gz	XRARGICMPGRYTB-OTWHNJEPSA-N	1	0	359.470	1.895	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N[C@@H](C)CC	ZINC001110423972	967650152	/nfs/dbraw/zinc/65/01/52/967650152.db2.gz	CYQUSABOMSTHAD-HZMVEIRTSA-N	1	0	351.491	1.605	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)Nc1cccn(Cc2ccc(F)cc2)c1=O	ZINC000852849204	967655039	/nfs/dbraw/zinc/65/50/39/967655039.db2.gz	CUGDUHUCVRAAJQ-UHFFFAOYSA-N	1	0	353.397	1.977	20	30		FDEDRO
COc1cc(OC)cc(N2CC[C@@H](NC(=O)C#CC3CC[NH2+]CC3)C2)c1	ZINC000852872972	967680446	/nfs/dbraw/zinc/68/04/46/967680446.db2.gz	UQTRKILFSLWYIT-MRXNPFEDSA-N	1	0	357.454	1.402	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CCNC(=O)c3cnccn3)[C@@H]2C1	ZINC001190255143	967698205	/nfs/dbraw/zinc/69/82/05/967698205.db2.gz	NOFWHTXQVRVUPT-DOTOQJQBSA-N	1	0	357.458	1.095	20	30		FDEDRO
C#CCCCOc1cccnc1NCCS(=O)(=O)N1CCSCC1	ZINC000853295125	967961123	/nfs/dbraw/zinc/96/11/23/967961123.db2.gz	BQUVVLBMYHOKNJ-UHFFFAOYSA-N	1	0	369.512	1.664	20	30		FDEDRO
N#Cc1ccc(C(=O)N(c2ncccc2F)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)nc1	ZINC001190583521	967968192	/nfs/dbraw/zinc/96/81/92/967968192.db2.gz	CYCQCTALINHLCI-IFXJQAMLSA-N	1	0	367.384	1.655	20	30		FDEDRO
C#CC[C@@H]([NH2+]CC(=O)NCc1ccc(OCC(N)=O)cc1)c1ccccc1	ZINC000775400146	967979359	/nfs/dbraw/zinc/97/93/59/967979359.db2.gz	MADGWLKXUUBROO-LJQANCHMSA-N	1	0	365.433	1.521	20	30		FDEDRO
N#Cc1ccccc1CN1C(=O)CN(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)C1=O	ZINC000853588078	968151372	/nfs/dbraw/zinc/15/13/72/968151372.db2.gz	PLGBDSRFEJXJJF-IRXDYDNUSA-N	1	0	354.410	1.248	20	30		FDEDRO
C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC001190923300	968169005	/nfs/dbraw/zinc/16/90/05/968169005.db2.gz	YKUWPQCAAGTHNG-MCIONIFRSA-N	1	0	366.380	1.068	20	30		FDEDRO
COCC[NH+]1CCC(NS(=O)(=O)c2cc(C#N)ccc2Cl)CC1	ZINC001190997575	968245908	/nfs/dbraw/zinc/24/59/08/968245908.db2.gz	ASUPHUNEGDOJLF-UHFFFAOYSA-N	1	0	357.863	1.601	20	30		FDEDRO
C#Cc1ccccc1C(=O)NCC(=O)N1CC[NH+](C2CCCCC2)CC1	ZINC001191129016	968288489	/nfs/dbraw/zinc/28/84/89/968288489.db2.gz	SXHWVWBMSDHORC-UHFFFAOYSA-N	1	0	353.466	1.875	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CNC(=O)c3ccccc31)C2	ZINC001110675388	968468422	/nfs/dbraw/zinc/46/84/22/968468422.db2.gz	UZQOFZQOSORXLD-AXUOBQJMSA-N	1	0	369.465	1.438	20	30		FDEDRO
C#CCOCCNC(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1	ZINC000853984017	968498096	/nfs/dbraw/zinc/49/80/96/968498096.db2.gz	NLCOQRAHMLYVJP-UHFFFAOYSA-N	1	0	356.470	1.290	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=O)NC[C@@H]2CCC[N@H+]2CCOC)c1	ZINC000111834182	968528508	/nfs/dbraw/zinc/52/85/08/968528508.db2.gz	FSBFFJRLIVOKOU-KRWDZBQOSA-N	1	0	358.442	1.016	20	30		FDEDRO
C[N@H+](CC#Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1	ZINC001191478819	968534230	/nfs/dbraw/zinc/53/42/30/968534230.db2.gz	MLCAOMYJHCVYCJ-JSXRDJHFSA-N	1	0	368.477	1.622	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[N@@H+](CCCc2nc(-c3ccccc3)no2)C[C@H]1O	ZINC001191653005	968695801	/nfs/dbraw/zinc/69/58/01/968695801.db2.gz	XKJJHMIBRSZCKB-IAGOWNOFSA-N	1	0	370.453	1.797	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)/C=C\C(C)(C)C)C1	ZINC001191823501	968798774	/nfs/dbraw/zinc/79/87/74/968798774.db2.gz	NIVGKMSSOKOOJH-OXPDUYIHSA-N	1	0	365.518	1.563	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1CN(CCOc2ccc3ccccc3c2)C[C@H]1O	ZINC001191880649	968832074	/nfs/dbraw/zinc/83/20/74/968832074.db2.gz	CRMPZLALSXDXJV-NIKGAXFTSA-N	1	0	353.422	1.540	20	30		FDEDRO
C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](CO)C[NH+](C)C)s1	ZINC000854467682	968916237	/nfs/dbraw/zinc/91/62/37/968916237.db2.gz	IZMIPCPZMGPSDV-NSHDSACASA-N	1	0	363.936	1.877	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1CN(C[C@H](O)c2ccc(F)cc2)C[C@H]1O	ZINC001192078237	968923270	/nfs/dbraw/zinc/92/32/70/968923270.db2.gz	DOTQLCYLLNBPPJ-FGTMMUONSA-N	1	0	366.433	1.003	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@H]1O	ZINC001192524258	969141729	/nfs/dbraw/zinc/14/17/29/969141729.db2.gz	GQUNEZWFOSFEIN-HLIPFELVSA-N	1	0	355.438	1.223	20	30		FDEDRO
N#Cc1ccc(C(=O)N(Cc2noc3c2C[NH2+]CC3)c2ncccn2)o1	ZINC001192674954	969225157	/nfs/dbraw/zinc/22/51/57/969225157.db2.gz	FMSUJKVCFVHMHZ-UHFFFAOYSA-N	1	0	350.338	1.422	20	30		FDEDRO
COCC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)C1	ZINC001192767039	969276774	/nfs/dbraw/zinc/27/67/74/969276774.db2.gz	LBUYVQCONFYQSV-YSIASYRMSA-N	1	0	356.466	1.981	20	30		FDEDRO
CCN(CCC#N)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)n1cccc1)C2	ZINC001110449786	969277991	/nfs/dbraw/zinc/27/79/91/969277991.db2.gz	CGOMFIXVNPMUQF-MLHJIOFPSA-N	1	0	371.485	1.533	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](N(C)CC(=O)NCCCC)C1	ZINC001192780075	969285822	/nfs/dbraw/zinc/28/58/22/969285822.db2.gz	ZAGZNDWFOBOGRC-AOIWGVFYSA-N	1	0	365.518	1.807	20	30		FDEDRO
CC(C)(C)C#CC(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O	ZINC001192812928	969312296	/nfs/dbraw/zinc/31/22/96/969312296.db2.gz	AUHDZBRQBPEKRT-CHWSQXEVSA-N	1	0	350.381	1.166	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1CN(CC(=O)N(CC=C)CC=C)C[C@H]1O	ZINC001193241071	969569476	/nfs/dbraw/zinc/56/94/76/969569476.db2.gz	PGRABWDRJDABJT-QZTJIDSGSA-N	1	0	361.486	1.117	20	30		FDEDRO
C[NH+]1CCN(c2ccc(NS(=O)(=O)C[C@H]3CCCO3)cc2C#N)CC1	ZINC001193263996	969590678	/nfs/dbraw/zinc/59/06/78/969590678.db2.gz	GOSYAARHUORTLL-MRXNPFEDSA-N	1	0	364.471	1.231	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2)C[C@H]1O)OCC	ZINC001193422146	969696732	/nfs/dbraw/zinc/69/67/32/969696732.db2.gz	NPKSUODTYATILI-QRVBRYPASA-N	1	0	362.470	1.598	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNS(=O)(=O)CC	ZINC001110459469	969712998	/nfs/dbraw/zinc/71/29/98/969712998.db2.gz	LQLLFATYFFCSIU-ZACQAIPSSA-N	1	0	369.531	1.231	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)CCc3ccccc3)C[C@H]2O)CCC1	ZINC001193684490	969810393	/nfs/dbraw/zinc/81/03/93/969810393.db2.gz	ARIRGGFGFACISS-XUVXKRRUSA-N	1	0	370.493	1.335	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)c3ccc(CC)cc3)C[C@H]2O)CCC1	ZINC001193686134	969812570	/nfs/dbraw/zinc/81/25/70/969812570.db2.gz	VOGDDQWBAUBCPE-VAMGGRTRSA-N	1	0	370.493	1.637	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCc3cccs3)C[C@H]2O)CCOCC1	ZINC001193728219	969818652	/nfs/dbraw/zinc/81/86/52/969818652.db2.gz	OXMNLIHKOODRKC-IAGOWNOFSA-N	1	0	362.495	1.272	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@@H+](CC)Cc2cn(C)nn2)CC1	ZINC000957755862	1013916344	/nfs/dbraw/zinc/91/63/44/1013916344.db2.gz	PXYULODKQPRPMC-MSOLQXFVSA-N	1	0	361.490	1.467	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1O	ZINC001193902419	969914659	/nfs/dbraw/zinc/91/46/59/969914659.db2.gz	RFBLRTNWDOMLAR-GUDVDZBRSA-N	1	0	356.470	1.094	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2CC(F)(F)F)C1	ZINC001193960970	969936847	/nfs/dbraw/zinc/93/68/47/969936847.db2.gz	KKLXXKDHISJHEX-YRGRVCCFSA-N	1	0	360.380	1.575	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)nnn3C)C1	ZINC001194118923	969999706	/nfs/dbraw/zinc/99/97/06/969999706.db2.gz	LMWLFLIHTLJFML-SJLPKXTDSA-N	1	0	357.458	1.490	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3cccnc3C)C[C@H]2C)CC1	ZINC000957773146	1013938174	/nfs/dbraw/zinc/93/81/74/1013938174.db2.gz	BEVPMFFBJQBNML-DNVCBOLYSA-N	1	0	368.481	1.312	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(c2ccccc2C#N)CC1	ZINC000466761197	970058113	/nfs/dbraw/zinc/05/81/13/970058113.db2.gz	QCMMKNTUOMVANQ-MAUKXSAKSA-N	1	0	353.470	1.873	20	30		FDEDRO
C[NH+]1CCN(c2ccc(C(=O)NCc3ccc(C#N)nc3)c(F)c2)CC1	ZINC001194551451	970245337	/nfs/dbraw/zinc/24/53/37/970245337.db2.gz	JWVMWONIOHATAQ-UHFFFAOYSA-N	1	0	353.401	1.774	20	30		FDEDRO
COC(=O)N1CCC([C@@H](C)[NH2+]CC(=O)NCc2cccc(C#N)c2)CC1	ZINC000776812167	970383121	/nfs/dbraw/zinc/38/31/21/970383121.db2.gz	QSRYQQRZGCSCCC-CQSZACIVSA-N	1	0	358.442	1.631	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(C#N)c1)C2	ZINC001110461717	970425464	/nfs/dbraw/zinc/42/54/64/970425464.db2.gz	FOAAEKUZCGWJHD-KURKYZTESA-N	1	0	367.453	1.422	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C3CC4(CCC4)C3)C[C@H]2C)CC1	ZINC000957887911	1013999553	/nfs/dbraw/zinc/99/95/53/1013999553.db2.gz	QOYDPXLSHYCJPT-VQIMIIECSA-N	1	0	371.525	1.875	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC2(CC2)CC1	ZINC001110465471	970657323	/nfs/dbraw/zinc/65/73/23/970657323.db2.gz	FDDNJNSRMVWZAC-KURKYZTESA-N	1	0	357.498	1.818	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1	ZINC000855809830	970695277	/nfs/dbraw/zinc/69/52/77/970695277.db2.gz	NBDFBBVBALNMGW-HLAUDOPJSA-N	1	0	360.458	1.426	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCc1ccccc1C	ZINC001110466007	970715200	/nfs/dbraw/zinc/71/52/00/970715200.db2.gz	FDDDZDIXMDMSPQ-AQNXPRMDSA-N	1	0	367.493	1.789	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(c3cccc(C)c3)CCC2)C1	ZINC001195162500	970743964	/nfs/dbraw/zinc/74/39/64/970743964.db2.gz	IGTCPTJHOLNYAQ-RTBURBONSA-N	1	0	358.482	1.781	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCCc3ccccc3)C[C@H]2O)nc1	ZINC001197926011	972552538	/nfs/dbraw/zinc/55/25/38/972552538.db2.gz	BJJANMHZOWVHGY-NHCUHLMSSA-N	1	0	363.461	1.861	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2F)C[C@H]1O	ZINC001198003939	972631485	/nfs/dbraw/zinc/63/14/85/972631485.db2.gz	OGIUXXFPVCYAOP-QZTJIDSGSA-N	1	0	362.449	1.091	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC(C)C)NC(C)=O)C1	ZINC001197984029	972654159	/nfs/dbraw/zinc/65/41/59/972654159.db2.gz	JQXSRLZDKFJEBI-KZNAEPCWSA-N	1	0	355.523	1.669	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3c2C[C@H](C)CC3)C1	ZINC001198226780	972919868	/nfs/dbraw/zinc/91/98/68/972919868.db2.gz	RAZCWJFUVUGCNY-SZVBFZGTSA-N	1	0	360.502	1.987	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COc3ccccc3O2)C1	ZINC001198304956	972971450	/nfs/dbraw/zinc/97/14/50/972971450.db2.gz	PSKOXNFPTJXTGI-MDZRGWNJSA-N	1	0	362.470	1.958	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1	ZINC000863550894	973007641	/nfs/dbraw/zinc/00/76/41/973007641.db2.gz	CESOKMFEHPVAOT-OALUTQOASA-N	1	0	359.470	1.531	20	30		FDEDRO
COc1ccc(N2CCN(CC[NH2+]C[C@@H](O)CC3(C#N)CC3)CC2)cc1	ZINC000863550997	973007844	/nfs/dbraw/zinc/00/78/44/973007844.db2.gz	HLCMYJSPRRXPJE-SFHVURJKSA-N	1	0	358.486	1.462	20	30		FDEDRO
CCN(CC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)C(=O)OC(C)(C)C	ZINC000863552730	973010453	/nfs/dbraw/zinc/01/04/53/973010453.db2.gz	OSSJEJPLYBTNAF-HNNXBMFYSA-N	1	0	355.479	1.904	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)CC1	ZINC000863562564	973017969	/nfs/dbraw/zinc/01/79/69/973017969.db2.gz	LEULLBJQERHIGV-JSGCOSHPSA-N	1	0	352.818	1.789	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H](CO)C[C@H](O)c1ccccc1	ZINC000863563214	973018242	/nfs/dbraw/zinc/01/82/42/973018242.db2.gz	OTOXFCGAPLIOIQ-OTWHNJEPSA-N	1	0	356.422	1.372	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H](CO)C[C@@H](O)c1ccccc1	ZINC000863563213	973018384	/nfs/dbraw/zinc/01/83/84/973018384.db2.gz	OTOXFCGAPLIOIQ-IPMKNSEASA-N	1	0	356.422	1.372	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCOC[C@H]1C[NH2+]C[C@@H](O)c1ccc(C#N)cc1	ZINC000863581276	973032629	/nfs/dbraw/zinc/03/26/29/973032629.db2.gz	PKMGAPLULCOTOX-IAGOWNOFSA-N	1	0	361.442	1.817	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccc(C(F)(F)F)n2)C1	ZINC001198429594	973095700	/nfs/dbraw/zinc/09/57/00/973095700.db2.gz	BUDRWYLYZYDEMP-YNEHKIRRSA-N	1	0	360.380	1.418	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccccc2Cl)C1	ZINC001198435952	973141013	/nfs/dbraw/zinc/14/10/13/973141013.db2.gz	AHSZIJOSFQXGHY-IAGOWNOFSA-N	1	0	352.862	1.637	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1cc(F)cc(C#N)c1	ZINC000867273223	973187337	/nfs/dbraw/zinc/18/73/37/973187337.db2.gz	CGSPMEQJTKFMDE-UHFFFAOYSA-N	1	0	356.467	1.201	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000645164945	1014090570	/nfs/dbraw/zinc/09/05/70/1014090570.db2.gz	XKQOHMLEMOQAFR-SFHVURJKSA-N	1	0	358.486	1.272	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N	ZINC000794577445	973295326	/nfs/dbraw/zinc/29/53/26/973295326.db2.gz	RAMRDOISNQMHBW-QLFBSQMISA-N	1	0	363.421	1.728	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C	ZINC000645219605	1014115900	/nfs/dbraw/zinc/11/59/00/1014115900.db2.gz	FYAHIUKMLRWWLQ-OAHLLOKOSA-N	1	0	360.458	1.513	20	30		FDEDRO
C#CCC[NH2+][C@H](CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C)c1ccccc1OC	ZINC001198902842	973633500	/nfs/dbraw/zinc/63/35/00/973633500.db2.gz	QJKXATFIAVERCT-GVDBMIGSSA-N	1	0	357.454	1.190	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC2CCN(C(C)=O)CC2)C1	ZINC001198869823	973638317	/nfs/dbraw/zinc/63/83/17/973638317.db2.gz	COHFOMSHAVYYCR-QZTJIDSGSA-N	1	0	351.491	1.153	20	30		FDEDRO
CC(C)CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC#Cc2ccccc2)C1	ZINC001198940956	973718372	/nfs/dbraw/zinc/71/83/72/973718372.db2.gz	WRNMNNTXSFKYLI-WOJBJXKFSA-N	1	0	358.482	1.652	20	30		FDEDRO
C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C#N)c1ccc(F)cc1	ZINC000864685341	973764913	/nfs/dbraw/zinc/76/49/13/973764913.db2.gz	KTKXMMHAQLBFOK-CABCVRRESA-N	1	0	364.421	1.961	20	30		FDEDRO
C#CCOC[C@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](CC(C)C)C1	ZINC001251851651	973810987	/nfs/dbraw/zinc/81/09/87/973810987.db2.gz	PLRSUTLAPMDBDL-DLBZAZTESA-N	1	0	354.491	1.965	20	30		FDEDRO
N#C[C@@]1(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CCCOC1	ZINC000864846576	973885187	/nfs/dbraw/zinc/88/51/87/973885187.db2.gz	IRDGSHUMEUGGBP-FQEVSTJZSA-N	1	0	356.470	1.635	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O)[NH+]1CCCC1	ZINC001199127751	973928760	/nfs/dbraw/zinc/92/87/60/973928760.db2.gz	JXSIAGLKEHSTLB-NJDAHSKKSA-N	1	0	369.509	1.320	20	30		FDEDRO
CCO[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@@H]1CCOC1	ZINC000864910134	973941354	/nfs/dbraw/zinc/94/13/54/973941354.db2.gz	GRNKHNPLEULUCD-RTBURBONSA-N	1	0	359.470	1.890	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000466773623	974007088	/nfs/dbraw/zinc/00/70/88/974007088.db2.gz	CHIDWDONJWKNID-CKEIUWERSA-N	1	0	369.473	1.051	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCc3ccccc32)C1	ZINC001199210050	974023296	/nfs/dbraw/zinc/02/32/96/974023296.db2.gz	BYQHNXXMYVSKEV-VAMGGRTRSA-N	1	0	358.482	1.861	20	30		FDEDRO
N#Cc1ccc(Oc2ccc(NC(=O)NCC[N@H+]3CC[C@@H](O)C3)cc2)nc1	ZINC001199252710	974077401	/nfs/dbraw/zinc/07/74/01/974077401.db2.gz	NPPJQGIWSJGLCV-MRXNPFEDSA-N	1	0	367.409	1.934	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@H+]([C@@H](CCOC)c2ccccc2)C[C@H]1O	ZINC001199292049	974130630	/nfs/dbraw/zinc/13/06/30/974130630.db2.gz	AHGACVSXHOYLOV-CEXWTWQISA-N	1	0	362.470	1.518	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@@H+](CCCc2cccc(F)c2)C[C@H]1O	ZINC001199292609	974132030	/nfs/dbraw/zinc/13/20/30/974132030.db2.gz	OMKJGFYOHCNOCV-QZTJIDSGSA-N	1	0	350.434	1.512	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1CN(CCOc2ccc(Cl)cc2)C[C@H]1O	ZINC001199311852	974151491	/nfs/dbraw/zinc/15/14/91/974151491.db2.gz	CFYUVXSQEIAQOD-IAGOWNOFSA-N	1	0	368.861	1.473	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCC[C@H]3CCOC3)C[C@H]2O)CCCCC1	ZINC001199277926	974159440	/nfs/dbraw/zinc/15/94/40/974159440.db2.gz	HSBSEKFMMCIHDP-IPMKNSEASA-N	1	0	362.514	1.938	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CC1	ZINC000865194209	974175048	/nfs/dbraw/zinc/17/50/48/974175048.db2.gz	RVNOWZBMRSYGBS-OAHLLOKOSA-N	1	0	355.479	1.419	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCc2ccc(Cl)cc2)C[C@H]1O	ZINC001199317706	974184621	/nfs/dbraw/zinc/18/46/21/974184621.db2.gz	AGSGLMRWMVLYHK-KBRIMQKVSA-N	1	0	352.862	1.635	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)C2CCC2)C1	ZINC001199498497	974304316	/nfs/dbraw/zinc/30/43/16/974304316.db2.gz	MWXAZMIOCBBUSM-DJIMGWMZSA-N	1	0	353.507	1.423	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3nnn(C)c32)C1	ZINC001199575388	974379797	/nfs/dbraw/zinc/37/97/97/974379797.db2.gz	PMHMPMCSQRKCJI-IAGOWNOFSA-N	1	0	357.458	1.490	20	30		FDEDRO
C=CCOc1c(Br)cc(C[NH2+]C[C@@H](O)[C@H](C)O)cc1OC	ZINC000865740703	974452968	/nfs/dbraw/zinc/45/29/68/974452968.db2.gz	HYKPWBJLRKOHQH-GXFFZTMASA-N	1	0	360.248	1.854	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCC(F)(F)F	ZINC001110540166	974459030	/nfs/dbraw/zinc/45/90/30/974459030.db2.gz	FZBAGRJLKHJSEL-TUVASFSCSA-N	1	0	360.376	1.061	20	30		FDEDRO
C=CC[NH+](CC=C)CCN1CCN(C(=S)N[C@H](C)C(=O)OCC)CC1	ZINC001199839045	974530503	/nfs/dbraw/zinc/53/05/03/974530503.db2.gz	FFSYCJSNSXKJDD-MRXNPFEDSA-N	1	0	368.547	1.104	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cccc2nsnc21	ZINC001110547287	974665982	/nfs/dbraw/zinc/66/59/82/974665982.db2.gz	HFFCXVPGXKKKCL-JFOHDYCDSA-N	1	0	370.478	1.951	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOc1cccc(F)c1	ZINC001110552260	974755578	/nfs/dbraw/zinc/75/55/78/974755578.db2.gz	SHJNYKBAWRIOAN-OPNNQBFTSA-N	1	0	360.429	1.964	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)C(=O)NC(C)(C)C)CC1	ZINC001200637483	974852749	/nfs/dbraw/zinc/85/27/49/974852749.db2.gz	UWKPBPVECCNLQW-OIISXLGYSA-N	1	0	365.518	1.851	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1	ZINC001200652085	974872881	/nfs/dbraw/zinc/87/28/81/974872881.db2.gz	YZIQPAVIPFHVSD-ZIFCJYIRSA-N	1	0	372.513	1.931	20	30		FDEDRO
C=CCOCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CCCO1	ZINC001201010738	974949421	/nfs/dbraw/zinc/94/94/21/974949421.db2.gz	WWRQMWAYDPMWEK-XLAORIBOSA-N	1	0	352.475	1.211	20	30		FDEDRO
O=C(CO[C@@H]1CCOC1)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#Cc1ccccc1	ZINC001110560101	974952581	/nfs/dbraw/zinc/95/25/81/974952581.db2.gz	XWAZGOXMRHKNFJ-WTGUMLROSA-N	1	0	354.450	1.565	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)CCCO1	ZINC001201043165	974956741	/nfs/dbraw/zinc/95/67/41/974956741.db2.gz	UAOUVQWPJFAYRE-HSALFYBXSA-N	1	0	355.482	1.696	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCc2ccns2)C1	ZINC001201439563	975061161	/nfs/dbraw/zinc/06/11/61/975061161.db2.gz	XGDDYSZJZXHEPU-UAGQMJEPSA-N	1	0	365.499	1.484	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCOCCCC)C1	ZINC001201439855	975062190	/nfs/dbraw/zinc/06/21/90/975062190.db2.gz	ZKSTZBHHGOCPOD-KSZLIROESA-N	1	0	354.491	1.601	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CC#CCOC)C1	ZINC001201613248	975098202	/nfs/dbraw/zinc/09/82/02/975098202.db2.gz	YUYIWPLXSVJBKJ-QYZOEREBSA-N	1	0	364.486	1.215	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[C@@H]1CCCCO1)C2	ZINC001110572413	975200591	/nfs/dbraw/zinc/20/05/91/975200591.db2.gz	AQLDETWNGOCDQH-NCOADZHNSA-N	1	0	361.486	1.053	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc([C@@]3(C)NC(=O)N(C)C3=O)cc2)CC1	ZINC000847163924	975349827	/nfs/dbraw/zinc/34/98/27/975349827.db2.gz	CMYDFRACGJKRGE-HXUWFJFHSA-N	1	0	368.437	1.367	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1	ZINC000847291989	975425600	/nfs/dbraw/zinc/42/56/00/975425600.db2.gz	JWDMYQQQZZRQDK-ZWKOTPCHSA-N	1	0	354.454	1.923	20	30		FDEDRO
C=CCN1CCC(NS(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])CC1	ZINC000866744352	975985243	/nfs/dbraw/zinc/98/52/43/975985243.db2.gz	ISGWWUBEQCNICH-UHFFFAOYSA-N	1	0	357.407	1.971	20	30		FDEDRO
N#CC1(COC(=O)CN2CCOCC2=O)CC[NH+](Cc2ccccc2)CC1	ZINC000847747461	976018705	/nfs/dbraw/zinc/01/87/05/976018705.db2.gz	IRVKXASEJCHHMB-UHFFFAOYSA-N	1	0	371.437	1.194	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[NH2+]CCC2(C)C)c1	ZINC000866804107	976074585	/nfs/dbraw/zinc/07/45/85/976074585.db2.gz	QXICYCYVJJOWQE-UHFFFAOYSA-N	1	0	351.472	1.365	20	30		FDEDRO
C[N@H+]1C[C@H]2CN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)C[C@H]2C1	ZINC000847970832	976208514	/nfs/dbraw/zinc/20/85/14/976208514.db2.gz	YROCNERTWVLVPX-CALCHBBNSA-N	1	0	361.486	1.657	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2cc(F)cc(C#N)c2)CCO1	ZINC000867537731	976333123	/nfs/dbraw/zinc/33/31/23/976333123.db2.gz	QGLIBQLUELUQPE-HNNXBMFYSA-N	1	0	355.435	1.429	20	30		FDEDRO
CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(c2ccc(C#N)cc2)CC1	ZINC000867543105	976340946	/nfs/dbraw/zinc/34/09/46/976340946.db2.gz	UQDMZKKZTIUSRP-UHFFFAOYSA-N	1	0	371.485	1.007	20	30		FDEDRO
C[NH2+][C@@H](C)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1	ZINC000848397792	976717632	/nfs/dbraw/zinc/71/76/32/976717632.db2.gz	MAFYVJVMMJPXTD-GJEKEPIOSA-N	1	0	366.487	1.826	20	30		FDEDRO
C[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1cccc(NS(C)(=O)=O)c1	ZINC000848399044	976717725	/nfs/dbraw/zinc/71/77/25/976717725.db2.gz	ZDKLBGWCXAYTRY-IUODEOHRSA-N	1	0	352.460	1.647	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1	ZINC000867811834	976914620	/nfs/dbraw/zinc/91/46/20/976914620.db2.gz	GHCAXDLCKCQFMS-WBVHZDCISA-N	1	0	363.483	1.317	20	30		FDEDRO
Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000867941248	977120275	/nfs/dbraw/zinc/12/02/75/977120275.db2.gz	FEUHSDFWLBESKY-BLVKFPJESA-N	1	0	351.454	1.843	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCc1cnc(C(F)(F)F)nc1	ZINC000867983334	977167424	/nfs/dbraw/zinc/16/74/24/977167424.db2.gz	DEFXXCHIQDGEJN-CQSZACIVSA-N	1	0	361.327	1.870	20	30		FDEDRO
CCCCCCC[C@H](C)CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000848931962	977248305	/nfs/dbraw/zinc/24/83/05/977248305.db2.gz	JVCUNJCHBWSNSE-YESZJQIVSA-N	1	0	353.507	1.377	20	30		FDEDRO
C=CCNC(=[NH2+])NC[C@H](CO)Cc1cc(Br)ccc1OC	ZINC000849109830	977320555	/nfs/dbraw/zinc/32/05/55/977320555.db2.gz	JEGWSNCMWJSOAB-LLVKDONJSA-N	1	0	356.264	1.909	20	30		FDEDRO
COc1ccc(N2CC[C@@H]([NH2+][C@H](C(N)=O)c3ccc(C#N)cc3)C2)cc1	ZINC000849322972	977425636	/nfs/dbraw/zinc/42/56/36/977425636.db2.gz	VSQRRXKXYOEBCB-APWZRJJASA-N	1	0	350.422	1.962	20	30		FDEDRO
COc1ccc(N2CC[C@H]([NH2+][C@H](C(N)=O)c3ccc(C#N)cc3)C2)cc1	ZINC000849322973	977425739	/nfs/dbraw/zinc/42/57/39/977425739.db2.gz	VSQRRXKXYOEBCB-LPHOPBHVSA-N	1	0	350.422	1.962	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1	ZINC000868294176	977461609	/nfs/dbraw/zinc/46/16/09/977461609.db2.gz	JSGSZAZGTHBQGW-AWEZNQCLSA-N	1	0	361.417	1.671	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1	ZINC000868305808	977481136	/nfs/dbraw/zinc/48/11/36/977481136.db2.gz	IMMSNIDAWISWTH-AYGBPOKTSA-N	1	0	370.453	1.188	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1	ZINC000868359534	977531280	/nfs/dbraw/zinc/53/12/80/977531280.db2.gz	PMJQECNMVJGRIT-FQEVSTJZSA-N	1	0	356.470	1.740	20	30		FDEDRO
C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1cccc(F)c1C#N	ZINC000849422914	977561951	/nfs/dbraw/zinc/56/19/51/977561951.db2.gz	GXZFVFOCQDMIAK-ZDUSSCGKSA-N	1	0	356.467	1.248	20	30		FDEDRO
COc1cc(C#N)ccc1OC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1	ZINC000849490639	977683184	/nfs/dbraw/zinc/68/31/84/977683184.db2.gz	VOJOKBKNNSCCFI-HZPDHXFCSA-N	1	0	354.410	1.941	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1	ZINC000849495403	977689336	/nfs/dbraw/zinc/68/93/36/977689336.db2.gz	CKOAKNGPBAVXLA-RBUKOAKNSA-N	1	0	351.454	1.986	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1	ZINC000868490708	977709906	/nfs/dbraw/zinc/70/99/06/977709906.db2.gz	DVIVWLDLYVEMOG-INIZCTEOSA-N	1	0	357.520	1.684	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@H]1Cc2ccc(C#N)cc2C1	ZINC000868509982	977725364	/nfs/dbraw/zinc/72/53/64/977725364.db2.gz	IGRFSSQCESODLP-BEFAXECRSA-N	1	0	355.486	1.351	20	30		FDEDRO
C#CCCN(CC(F)(F)F)C(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1	ZINC000849575935	977778157	/nfs/dbraw/zinc/77/81/57/977778157.db2.gz	BQEGSMWMUQLOKR-HUUCEWRRSA-N	1	0	356.392	1.870	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)n1	ZINC000849587369	977792408	/nfs/dbraw/zinc/79/24/08/977792408.db2.gz	IAGRUJGWORDOFQ-RBUKOAKNSA-N	1	0	368.485	1.334	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C	ZINC000868654302	977872428	/nfs/dbraw/zinc/87/24/28/977872428.db2.gz	YYHLXKWEOVKCLL-GJZGRUSLSA-N	1	0	352.479	1.639	20	30		FDEDRO
COC[C@@H](C)Oc1ccc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1	ZINC000850137664	978199296	/nfs/dbraw/zinc/19/92/96/978199296.db2.gz	TWUOFOPWVOXJES-ORIGZDJFSA-N	1	0	359.426	1.716	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1	ZINC000850765683	978664841	/nfs/dbraw/zinc/66/48/41/978664841.db2.gz	OUPUMEFPNBEXEU-OAHLLOKOSA-N	1	0	353.444	1.070	20	30		FDEDRO
C#CCN(C(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C1CCCC1	ZINC000850813284	978682030	/nfs/dbraw/zinc/68/20/30/978682030.db2.gz	BJXVOFOQCCQFDM-GOSISDBHSA-N	1	0	355.438	1.690	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCN1C(=O)CCC1=O)C2	ZINC001110627852	978755809	/nfs/dbraw/zinc/75/58/09/978755809.db2.gz	WKNFEJFYNHXMAS-HZMVEIRTSA-N	1	0	361.486	1.992	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(c2cccc(F)n2)CC1	ZINC001110630254	978876924	/nfs/dbraw/zinc/87/69/24/978876924.db2.gz	SSJJYOSAKJUHGR-NVXWUHKLSA-N	1	0	358.461	1.992	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(OC(C)C)nc1)C2	ZINC001110631764	978931907	/nfs/dbraw/zinc/93/19/07/978931907.db2.gz	MTLKRIWIPSCOOO-KURKYZTESA-N	1	0	357.454	1.854	20	30		FDEDRO
N#Cc1cccnc1NCCNC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1	ZINC000851654728	978985813	/nfs/dbraw/zinc/98/58/13/978985813.db2.gz	GRSZJDLMAXYZAS-QGZVFWFLSA-N	1	0	356.474	1.786	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1	ZINC000851659548	978987179	/nfs/dbraw/zinc/98/71/79/978987179.db2.gz	VMGPBRACEXOERX-HOTGVXAUSA-N	1	0	369.462	1.171	20	30		FDEDRO
N#Cc1cccc(OC2CC[NH+](C[C@@](O)(C(N)=O)c3ccccc3)CC2)c1	ZINC000851752497	979029386	/nfs/dbraw/zinc/02/93/86/979029386.db2.gz	IYQQUIGCKGSXOZ-NRFANRHFSA-N	1	0	365.433	1.775	20	30		FDEDRO
C#CCC1(O)CC[NH+](CC(=O)N2CCN(Cc3ccsc3)CC2)CC1	ZINC000880482078	979223072	/nfs/dbraw/zinc/22/30/72/979223072.db2.gz	WQRVCQGDQMZUDD-UHFFFAOYSA-N	1	0	361.511	1.243	20	30		FDEDRO
C#C[C@@](C)(CC)[NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1	ZINC000852099688	979350180	/nfs/dbraw/zinc/35/01/80/979350180.db2.gz	CPKSQIQKRUJNJB-INIZCTEOSA-N	1	0	371.890	1.920	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)[N@H+](CC)[C@@H](C)C2)cc1	ZINC000880609515	979351899	/nfs/dbraw/zinc/35/18/99/979351899.db2.gz	XZJPBXQAGIXRGT-GASCZTMLSA-N	1	0	363.483	1.153	20	30		FDEDRO
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1cc(C#N)c(F)cc1F	ZINC000880710250	979403699	/nfs/dbraw/zinc/40/36/99/979403699.db2.gz	MESBZUXFVDQAAE-UHFFFAOYSA-N	1	0	353.373	1.320	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC(N(CC)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC000968015234	1014575836	/nfs/dbraw/zinc/57/58/36/1014575836.db2.gz	OPXLPKOUGGCHPV-RDTXWAMCSA-N	1	0	354.454	1.076	20	30		FDEDRO
C#CCC[C@H](O)CNC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000881130163	979703328	/nfs/dbraw/zinc/70/33/28/979703328.db2.gz	XFCWAUUEYVSMPB-OALUTQOASA-N	1	0	356.470	1.867	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000881130861	979704274	/nfs/dbraw/zinc/70/42/74/979704274.db2.gz	QFAQZJBJRVAQAV-IEBWSBKVSA-N	1	0	356.470	1.867	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)CCO1	ZINC000881137251	979712904	/nfs/dbraw/zinc/71/29/04/979712904.db2.gz	LWBHATJLXNHQGS-QZTJIDSGSA-N	1	0	355.442	1.727	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)Nc2cccc(CC#N)n2)(N2CCOCC2)CC1	ZINC000881144168	979716700	/nfs/dbraw/zinc/71/67/00/979716700.db2.gz	OETZLTJELGNXQF-UHFFFAOYSA-N	1	0	372.473	1.066	20	30		FDEDRO
N#CCc1cccc(NC(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)n1	ZINC000881142709	979716730	/nfs/dbraw/zinc/71/67/30/979716730.db2.gz	OQDZYBFFHDYUOS-HZPDHXFCSA-N	1	0	355.442	1.913	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)C1CCN(c2cc(C#N)nc(C)n2)CC1	ZINC000881805333	980162235	/nfs/dbraw/zinc/16/22/35/980162235.db2.gz	JKGQKBYNIGLWCY-UHFFFAOYSA-N	1	0	358.490	1.721	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@](C(=O)OCC)(C2CC2)C(F)(F)F)CC1	ZINC000857663094	981626152	/nfs/dbraw/zinc/62/61/52/981626152.db2.gz	OZBGEVOSKBLAMG-INIZCTEOSA-N	1	0	360.376	1.722	20	30		FDEDRO
CN(C)c1c(C[NH2+]CCNC(=O)C2N=CC=CC2=O)ccc(F)c1F	ZINC000858137490	981854631	/nfs/dbraw/zinc/85/46/31/981854631.db2.gz	RVNNMRUDFHOOGT-BMRADRMJSA-N	1	0	350.369	1.647	20	30		FDEDRO
CCOC(=O)c1[nH]c(C)c(C[NH2+]CCNC(=O)C2N=CC=CC2=O)c1C	ZINC000858137111	981854856	/nfs/dbraw/zinc/85/48/56/981854856.db2.gz	GERPXRLOOBSYKZ-MSUUIHNZSA-N	1	0	360.414	1.424	20	30		FDEDRO
N#Cc1sc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)nc1Cl	ZINC000882987603	981863017	/nfs/dbraw/zinc/86/30/17/981863017.db2.gz	JTHPEHKHPJSMHM-GFCCVEGCSA-N	1	0	355.895	1.877	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCN(C)C(=O)C1)C2	ZINC001110741102	981903668	/nfs/dbraw/zinc/90/36/68/981903668.db2.gz	RLMLJVGEHLLODC-KURKYZTESA-N	1	0	364.534	1.452	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1	ZINC000883117019	981960302	/nfs/dbraw/zinc/96/03/02/981960302.db2.gz	NVWLKRKJRQMJRX-UHFFFAOYSA-N	1	0	355.482	1.995	20	30		FDEDRO
Cn1ccn2c(C[NH2+]C3CCC(C#N)(c4ccccc4)CC3)nnc2c1=O	ZINC000883335134	982080159	/nfs/dbraw/zinc/08/01/59/982080159.db2.gz	NKBSXSZTKXFQKV-UHFFFAOYSA-N	1	0	362.437	1.922	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)CC1	ZINC000883349913	982091208	/nfs/dbraw/zinc/09/12/08/982091208.db2.gz	QJUXKYGTCMWPHR-UHFFFAOYSA-N	1	0	351.491	1.436	20	30		FDEDRO
N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1cc2n(n1)CCN(Cc1ccccc1)C2	ZINC000883591352	982289886	/nfs/dbraw/zinc/28/98/86/982289886.db2.gz	ABMBCFWPLSEYEY-NVXWUHKLSA-N	1	0	365.441	1.132	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)ccc1C1CC1	ZINC000883608642	982305323	/nfs/dbraw/zinc/30/53/23/982305323.db2.gz	CWUXKNCYTMATMH-FQEVSTJZSA-N	1	0	352.438	1.976	20	30		FDEDRO
C=C(C)C[C@@H](CO)NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000883647815	982343835	/nfs/dbraw/zinc/34/38/35/982343835.db2.gz	FJPPGKQDYGJUNR-OALUTQOASA-N	1	0	361.486	1.904	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(C)(C)c1ccc(C#N)cc1	ZINC000859079275	982510567	/nfs/dbraw/zinc/51/05/67/982510567.db2.gz	PVIXBSCWTHDNEP-SFHVURJKSA-N	1	0	370.497	1.895	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]CCOC[C@H]2CCCO2)CC1	ZINC001202559959	982559975	/nfs/dbraw/zinc/55/99/75/982559975.db2.gz	VOBAAUWEROWNNB-KURKYZTESA-N	1	0	352.475	1.354	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2C#N)C1	ZINC000859132298	982562643	/nfs/dbraw/zinc/56/26/43/982562643.db2.gz	TWZUFCAGBABCRM-HOTGVXAUSA-N	1	0	361.442	1.897	20	30		FDEDRO
C=CCNC(=O)N1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21	ZINC001202563761	982579065	/nfs/dbraw/zinc/57/90/65/982579065.db2.gz	DVDGXEINJLDSSW-KZNAEPCWSA-N	1	0	351.491	1.862	20	30		FDEDRO
CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000859158613	982584124	/nfs/dbraw/zinc/58/41/24/982584124.db2.gz	FTZYFGPKEOTLHQ-CVEARBPZSA-N	1	0	367.490	1.999	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc(C3CC3)c1)C2	ZINC001110771039	982717931	/nfs/dbraw/zinc/71/79/31/982717931.db2.gz	HXSUJORDUYJFKR-AZFSHXRASA-N	1	0	366.465	1.432	20	30		FDEDRO
C=CC[C@H]1CC[N@@H+](CC(=O)NN2C(=O)N[C@@](CC)(c3ccccc3)C2=O)C1	ZINC000859445945	982815076	/nfs/dbraw/zinc/81/50/76/982815076.db2.gz	WKWJHKULZHIQFY-YWZLYKJASA-N	1	0	370.453	1.773	20	30		FDEDRO
COC(=O)CN(CC#N)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2	ZINC000859481895	982854073	/nfs/dbraw/zinc/85/40/73/982854073.db2.gz	LAVWZOVHSCFJSS-QGZVFWFLSA-N	1	0	355.438	1.814	20	30		FDEDRO
CCN(Cc1ccccc1)C(=O)CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884103158	982869807	/nfs/dbraw/zinc/86/98/07/982869807.db2.gz	BLGGRYRKMZLTHY-GNZRSQJKSA-N	1	0	354.454	1.291	20	30		FDEDRO
COC(=O)C[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccc(F)cc1	ZINC000884105718	982874198	/nfs/dbraw/zinc/87/41/98/982874198.db2.gz	WIJFGXWVOGRODL-IJSAUFJJSA-N	1	0	359.401	1.685	20	30		FDEDRO
CCOC(=O)[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)Cc1ccccc1	ZINC000884107856	982878501	/nfs/dbraw/zinc/87/85/01/982878501.db2.gz	HJZFPIJPQMAELC-RAJLDSNDSA-N	1	0	369.465	1.664	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NC[C@@H]2CCN(c3cccc(OC)c3)C2)C1	ZINC000884116637	982894858	/nfs/dbraw/zinc/89/48/58/982894858.db2.gz	AYJWXTJAUSFKLJ-ROUUACIJSA-N	1	0	370.497	1.918	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@](O)(c1ccccc1)C(F)(F)F)C2	ZINC000884119918	982901513	/nfs/dbraw/zinc/90/15/13/982901513.db2.gz	ACXDYTUUNZXEFG-HCOPTFKYSA-N	1	0	367.371	1.692	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)N2CCC(C#N)CC2)C1	ZINC000331774547	982941658	/nfs/dbraw/zinc/94/16/58/982941658.db2.gz	FUGKZSCPOOIHPG-WMZOPIPTSA-N	1	0	360.502	1.862	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCCNc3ccccn3)=[NH+]C[C@H]2C1	ZINC000133886632	982948741	/nfs/dbraw/zinc/94/87/41/982948741.db2.gz	CIWVVWVWYZKWNA-HNNXBMFYSA-N	1	0	374.489	1.764	20	30		FDEDRO
C[C@H]([NH3+])CN(C)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1	ZINC000859636096	982952130	/nfs/dbraw/zinc/95/21/30/982952130.db2.gz	WQVBHRXZVVPKMC-IBPDABBASA-N	1	0	367.475	1.310	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NC[C@H](CC)[N@@H+]1CCc2ccccc2C1	ZINC000884188294	982964158	/nfs/dbraw/zinc/96/41/58/982964158.db2.gz	DFYPFHOAPBAOKD-ROUUACIJSA-N	1	0	359.470	1.386	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(-n3ccnc3)c(F)c1)C2	ZINC000884200573	982976334	/nfs/dbraw/zinc/97/63/34/982976334.db2.gz	FUBVXQVYYKLNKY-XAUUPUKJSA-N	1	0	353.401	1.767	20	30		FDEDRO
Cc1nc(CN2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CC2)oc1C	ZINC000884211650	982988529	/nfs/dbraw/zinc/98/85/29/982988529.db2.gz	KURQUXSMPYLXLL-KOHRHEQBSA-N	1	0	357.458	1.075	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCN(c3ncccc3Cl)C1)C2	ZINC000884228532	983002871	/nfs/dbraw/zinc/00/28/71/983002871.db2.gz	RXPWMQXEPXXUEP-RYTBJUFESA-N	1	0	359.861	1.569	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)C1	ZINC000884242184	983020464	/nfs/dbraw/zinc/02/04/64/983020464.db2.gz	OKBYYUUCWPZUBP-MOPGFXCFSA-N	1	0	368.481	1.432	20	30		FDEDRO
C=CC[C@H]1[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CCCC1(C)C	ZINC000332302275	983031517	/nfs/dbraw/zinc/03/15/17/983031517.db2.gz	VRDMWNIBMRIEGA-CQSZACIVSA-N	1	0	359.474	1.500	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000884258990	983033544	/nfs/dbraw/zinc/03/35/44/983033544.db2.gz	ICARVJRILRUJEI-ZWKOTPCHSA-N	1	0	356.470	1.452	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1	ZINC000884261295	983036350	/nfs/dbraw/zinc/03/63/50/983036350.db2.gz	IEMJWTSNNVXONY-LJQANCHMSA-N	1	0	373.497	1.866	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCc1nc(Cc2ccccc2F)no1	ZINC000884377723	983125622	/nfs/dbraw/zinc/12/56/22/983125622.db2.gz	SWZWFWXTSFKQAX-UHFFFAOYSA-N	1	0	359.405	1.554	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1	ZINC000884378536	983126570	/nfs/dbraw/zinc/12/65/70/983126570.db2.gz	VXZNVZUOUUOVCP-SFHVURJKSA-N	1	0	374.485	1.593	20	30		FDEDRO
CC(C)(C)c1ncc2c(n1)CCN(C(=O)C1CC3(C1)C[NH2+]C[C@@H]3C#N)C2	ZINC000884429725	983151064	/nfs/dbraw/zinc/15/10/64/983151064.db2.gz	RVFVTRGRSOTASW-LXDLAPCHSA-N	1	0	353.470	1.798	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)cc1C#N	ZINC000884592586	983263976	/nfs/dbraw/zinc/26/39/76/983263976.db2.gz	RFJNEIMNHOOHJG-FQEVSTJZSA-N	1	0	370.453	1.175	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])c1	ZINC000653234264	1014968005	/nfs/dbraw/zinc/96/80/05/1014968005.db2.gz	IVOXHYZNBPIAFO-RHSMWYFYSA-N	1	0	365.499	1.740	20	30		FDEDRO
C#CC[C@H](NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)c1ccccc1	ZINC000861615359	983792777	/nfs/dbraw/zinc/79/27/77/983792777.db2.gz	LKVHHOXMIDMEPH-SFHVURJKSA-N	1	0	369.469	1.103	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N(CC)C2CC[NH+](C)CC2)c1	ZINC000861893905	983978912	/nfs/dbraw/zinc/97/89/12/983978912.db2.gz	UMLHPLSYTNJSGF-UHFFFAOYSA-N	1	0	363.483	1.154	20	30		FDEDRO
C#CC[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C(=O)OC	ZINC000861950377	984009004	/nfs/dbraw/zinc/00/90/04/984009004.db2.gz	DNFYJIIAYHBKFY-MSOLQXFVSA-N	1	0	354.450	1.970	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H]1CCCC[N@H+](C)C1	ZINC000862030970	984065304	/nfs/dbraw/zinc/06/53/04/984065304.db2.gz	BYBMHODOYAWQGF-HUUCEWRRSA-N	1	0	358.442	1.764	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1	ZINC000862031411	984065643	/nfs/dbraw/zinc/06/56/43/984065643.db2.gz	GKEJLBUGUABSCP-AWEZNQCLSA-N	1	0	361.417	1.624	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C	ZINC000862194762	984232282	/nfs/dbraw/zinc/23/22/82/984232282.db2.gz	HPUMLHOTVXTXAO-CZUORRHYSA-N	1	0	359.426	1.165	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1	ZINC000862197815	984237080	/nfs/dbraw/zinc/23/70/80/984237080.db2.gz	QKMVDKBTSWDYOK-GOSISDBHSA-N	1	0	357.454	1.766	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1	ZINC000862198302	984237988	/nfs/dbraw/zinc/23/79/88/984237988.db2.gz	XQQXCAOSVVTGTB-LJQANCHMSA-N	1	0	371.481	1.808	20	30		FDEDRO
CCCC[C@@H](ON=C(C)C)C(=O)NC[C@@]1(CO)COCC2(CCC2)N1C	ZINC000862641528	984453736	/nfs/dbraw/zinc/45/37/36/984453736.db2.gz	BOZYNUOOYWPDIS-VQIMIIECSA-N	1	0	369.506	1.690	20	30		FDEDRO
N#CCNC(=O)C[NH+]1CCC([C@@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1	ZINC000795034475	984574319	/nfs/dbraw/zinc/57/43/19/984574319.db2.gz	TYRTUTQUXJNKKB-ROUUACIJSA-N	1	0	370.453	1.653	20	30		FDEDRO
C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c1cccc2C#N	ZINC000868920803	984698345	/nfs/dbraw/zinc/69/83/45/984698345.db2.gz	ZYCTZDFNHSSVQD-HNNXBMFYSA-N	1	0	358.442	1.902	20	30		FDEDRO
N#C[C@]1(C(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)CCCOC1	ZINC000869141792	984908432	/nfs/dbraw/zinc/90/84/32/984908432.db2.gz	DPZRRNPQMHMRPZ-IRFCIJBXSA-N	1	0	369.465	1.809	20	30		FDEDRO
C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@@H+]1CC[C@H](O)C1	ZINC000869502915	985151549	/nfs/dbraw/zinc/15/15/49/985151549.db2.gz	XDRHCXYQZCGISF-STQMWFEESA-N	1	0	361.870	1.205	20	30		FDEDRO
Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(CCC#N)CC(C)C	ZINC000795093980	985282487	/nfs/dbraw/zinc/28/24/87/985282487.db2.gz	SMJJPKMRPXQHLX-UHFFFAOYSA-N	1	0	355.508	1.622	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(c3ccc(OC)cc3OC)CC2)CC1	ZINC000870163839	985756128	/nfs/dbraw/zinc/75/61/28/985756128.db2.gz	IDHHXTPWFBUKTC-UHFFFAOYSA-N	1	0	371.481	1.698	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NCC[N@@H+](C)C[C@@H](O)CC2(C#N)CCC2)cc1	ZINC000886026582	985836248	/nfs/dbraw/zinc/83/62/48/985836248.db2.gz	YWGBQXTZOCVLDQ-INIZCTEOSA-N	1	0	365.499	1.650	20	30		FDEDRO
C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1C#N)n1cncn1	ZINC001095333903	985901693	/nfs/dbraw/zinc/90/16/93/985901693.db2.gz	PIYUCOVWYRYRRH-ZSGPHXLJSA-N	1	0	350.426	1.632	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)CCC1	ZINC000886120891	985918711	/nfs/dbraw/zinc/91/87/11/985918711.db2.gz	PZVBWUMWEVOAJF-SJORKVTESA-N	1	0	369.531	1.758	20	30		FDEDRO
Cn1ccn2c(CC[NH2+]Cc3ccc(C(C)(C)C#N)cc3)nnc2c1=O	ZINC000886282324	986018963	/nfs/dbraw/zinc/01/89/63/986018963.db2.gz	FTSJHPFBHQBYSH-UHFFFAOYSA-N	1	0	350.426	1.561	20	30		FDEDRO
C#CC[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2CN2CCOCC2)C1	ZINC000886355405	986094966	/nfs/dbraw/zinc/09/49/66/986094966.db2.gz	HZOBZPIONLWUNF-SFHVURJKSA-N	1	0	355.482	1.480	20	30		FDEDRO
C#CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)C1	ZINC000886360172	986097233	/nfs/dbraw/zinc/09/72/33/986097233.db2.gz	QTSYWUFSUNWFRI-OAHLLOKOSA-N	1	0	363.483	1.529	20	30		FDEDRO
CN(CCC[N@H+](C)Cc1ccncc1)S(=O)(=O)c1ccc(C#N)nc1	ZINC000886424810	986200259	/nfs/dbraw/zinc/20/02/59/986200259.db2.gz	FSPLQFUPLGQFGF-UHFFFAOYSA-N	1	0	359.455	1.491	20	30		FDEDRO
C#CCN(C(=O)[C@@H](C[C@H]1COCCO1)C(F)(F)F)C1CC[NH+](C)CC1	ZINC000886573469	986372030	/nfs/dbraw/zinc/37/20/30/986372030.db2.gz	JRCBJUAAHIXBRO-LSDHHAIUSA-N	1	0	362.392	1.526	20	30		FDEDRO
C#CCN(C(=O)c1cc(I)c[nH]1)C1CC[NH+](C)CC1	ZINC000886580861	986382058	/nfs/dbraw/zinc/38/20/58/986382058.db2.gz	AMUFZKMVUSZMSG-UHFFFAOYSA-N	1	0	371.222	1.789	20	30		FDEDRO
C#CCN(C(=O)Cn1c2ccccc2n(CC)c1=O)C1CC[NH+](C)CC1	ZINC000886585523	986391163	/nfs/dbraw/zinc/39/11/63/986391163.db2.gz	ZCROVHZFUCDKDI-UHFFFAOYSA-N	1	0	354.454	1.379	20	30		FDEDRO
C#CCN(C(=O)CN1c2ccccc2OCCC1=O)C1CC[NH+](C)CC1	ZINC000886587140	986393699	/nfs/dbraw/zinc/39/36/99/986393699.db2.gz	IJXDINPXTUKKOR-UHFFFAOYSA-N	1	0	355.438	1.358	20	30		FDEDRO
C=CCn1cc2ccc(NC(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)cc2n1	ZINC000886647304	986451407	/nfs/dbraw/zinc/45/14/07/986451407.db2.gz	KUNFOMGFIYRPIH-OAHLLOKOSA-N	1	0	355.442	1.571	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)c3cnn([C@H]4CCC[NH2+]C4)c3)CC2)cc1	ZINC000870981383	986558778	/nfs/dbraw/zinc/55/87/78/986558778.db2.gz	ISVRMTLGQQFYHY-IBGZPJMESA-N	1	0	364.453	1.642	20	30		FDEDRO
C=CCC1(O)CC[NH+]([C@H](C)C(=O)N2CCC(C(=O)OCC)CC2)CC1	ZINC000886759380	986560714	/nfs/dbraw/zinc/56/07/14/986560714.db2.gz	DQJRZTMORNULTD-OAHLLOKOSA-N	1	0	352.475	1.580	20	30		FDEDRO
C=CCC1(O)CC[NH+]([C@H](C)C(=O)N2CCN(C(=O)OCC)CC2)CC1	ZINC000886766746	986568302	/nfs/dbraw/zinc/56/83/02/986568302.db2.gz	QLRZISDZZDEBEG-OAHLLOKOSA-N	1	0	353.463	1.079	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](NC(=O)OC)C2)c(OC)c1	ZINC000886867507	986666222	/nfs/dbraw/zinc/66/62/22/986666222.db2.gz	GXFHUPQTTXFUFK-JKSUJKDBSA-N	1	0	364.442	1.594	20	30		FDEDRO
COC(=O)CCN(CC#N)C(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1	ZINC000871342372	986911472	/nfs/dbraw/zinc/91/14/72/986911472.db2.gz	KZCVRFACYLZSDS-UHFFFAOYSA-N	1	0	372.469	1.422	20	30		FDEDRO
C[C@H]1C(N=Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)CC[N@@H+]1C	ZINC000872350769	987614993	/nfs/dbraw/zinc/61/49/93/987614993.db2.gz	FNEHOPZZHBTCKD-AWEZNQCLSA-N	1	0	365.503	1.115	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(C#N)c1	ZINC000872462643	987685935	/nfs/dbraw/zinc/68/59/35/987685935.db2.gz	FHWJVQWMFPEXPD-YESZJQIVSA-N	1	0	363.483	1.739	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NC(C)(C)CCN2CC[NH+](C)CC2)c(C#N)c1	ZINC000872478305	987702374	/nfs/dbraw/zinc/70/23/74/987702374.db2.gz	UVVQIUNUGNUPRX-UHFFFAOYSA-N	1	0	364.515	1.561	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H](O)Cc1ccc(F)cc1	ZINC000292922637	987933001	/nfs/dbraw/zinc/93/30/01/987933001.db2.gz	YENURHMXZGFKTI-WMLDXEAASA-N	1	0	355.417	1.601	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H](O)Cc1ccc(F)cc1	ZINC000292922629	987933122	/nfs/dbraw/zinc/93/31/22/987933122.db2.gz	YENURHMXZGFKTI-RHSMWYFYSA-N	1	0	355.417	1.601	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)N1CCc2ccccc2C1	ZINC000292962916	987946148	/nfs/dbraw/zinc/94/61/48/987946148.db2.gz	GBFZABDEXYJPAE-AWEZNQCLSA-N	1	0	363.421	1.455	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CCOCC1	ZINC000292963691	987947295	/nfs/dbraw/zinc/94/72/95/987947295.db2.gz	KQVGVEIETXSCBN-INIZCTEOSA-N	1	0	373.457	1.227	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Oc2ccccn2)cc1	ZINC000293360299	988049634	/nfs/dbraw/zinc/04/96/34/988049634.db2.gz	LMBGNAYWLZJDGB-UHFFFAOYSA-N	1	0	366.421	1.884	20	30		FDEDRO
N#CCOc1ccc(/C=C/C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1	ZINC000360584780	988080951	/nfs/dbraw/zinc/08/09/51/988080951.db2.gz	OIKCVVFYZGPOGW-APTSRADASA-N	1	0	355.438	1.660	20	30		FDEDRO
N#Cc1ccc(CNC(=O)CN2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)cc1	ZINC000360889713	988193246	/nfs/dbraw/zinc/19/32/46/988193246.db2.gz	OSHVJQGIMAFXHQ-RTBURBONSA-N	1	0	356.470	1.096	20	30		FDEDRO
C[N@H+](CC(=O)NCc1ccc(C#N)cc1)C1CCN(c2cnccn2)CC1	ZINC000366104586	988412731	/nfs/dbraw/zinc/41/27/31/988412731.db2.gz	QCCXACBQGPMFIM-UHFFFAOYSA-N	1	0	364.453	1.565	20	30		FDEDRO
C[NH+]1CCC(N2CC[C@@H](NC(=O)C#Cc3ccc4c(c3)OCO4)C2)CC1	ZINC000366126047	988440213	/nfs/dbraw/zinc/44/02/13/988440213.db2.gz	LUJSBHAGLQCBLP-MRXNPFEDSA-N	1	0	355.438	1.052	20	30		FDEDRO
COC(=O)Cn1cc(CC[N@@H+]2CCCN(c3ccc(C#N)cc3)CC2)nn1	ZINC000361935241	988540848	/nfs/dbraw/zinc/54/08/48/988540848.db2.gz	BHFBCCRFGZYWON-UHFFFAOYSA-N	1	0	368.441	1.078	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+][C@H]3CCN(c4ccccc4C(N)=O)C3)n2c1	ZINC000362025204	988562930	/nfs/dbraw/zinc/56/29/30/988562930.db2.gz	SHPPXQZYVDIQHY-HNNXBMFYSA-N	1	0	360.421	1.673	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1F	ZINC000873108682	988574315	/nfs/dbraw/zinc/57/43/15/988574315.db2.gz	ZYNMCWWLYALORB-GXSJLCMTSA-N	1	0	358.295	1.231	20	30		FDEDRO
C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC(n2cnc(C#N)n2)CC1	ZINC000366331597	988626591	/nfs/dbraw/zinc/62/65/91/988626591.db2.gz	VHSWFPLOXGSSIU-OWCLPIDISA-N	1	0	373.505	1.863	20	30		FDEDRO
COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)CCC(=O)N(C)CCC#N)C2)c1	ZINC000367108811	988927995	/nfs/dbraw/zinc/92/79/95/988927995.db2.gz	GLEBJCKJNBEVMK-MRXNPFEDSA-N	1	0	374.485	1.976	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCc1ccccc1CN1CCOCC1	ZINC000296060144	988938382	/nfs/dbraw/zinc/93/83/82/988938382.db2.gz	BWPSYMFMQUWFCT-UHFFFAOYSA-N	1	0	358.486	1.273	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NC[C@H]3CCC[C@@H](CO)C3)=[NH+]C[C@@H]2C1	ZINC000367573059	988956097	/nfs/dbraw/zinc/95/60/97/988956097.db2.gz	CKNDWIMMMXYUEH-ARFHVFGLSA-N	1	0	366.506	1.666	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CCCN(c3ccccc3C#N)C2)C1	ZINC000363179400	988973699	/nfs/dbraw/zinc/97/36/99/988973699.db2.gz	KKIZXJCEIHTGTI-QZTJIDSGSA-N	1	0	371.485	1.547	20	30		FDEDRO
COCCC[N@@H+]1CCCN(C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)CC1	ZINC000363204801	988991340	/nfs/dbraw/zinc/99/13/40/988991340.db2.gz	IBBCCDSEUBNVOO-UHFFFAOYSA-N	1	0	374.485	1.779	20	30		FDEDRO
CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CC(=O)N(CCC#N)CCC#N	ZINC000368668547	989003802	/nfs/dbraw/zinc/00/38/02/989003802.db2.gz	LWXLZNSSOAMHJH-IAGOWNOFSA-N	1	0	359.474	1.508	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)ccc2N(C)C)CC1	ZINC000873707302	989029641	/nfs/dbraw/zinc/02/96/41/989029641.db2.gz	XUAQYCXZTSGJGD-UHFFFAOYSA-N	1	0	362.449	1.987	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@H]2CCCN(c3ccc(C)cc3)C2=O)CC1	ZINC000363285175	989061410	/nfs/dbraw/zinc/06/14/10/989061410.db2.gz	DXLIDOFIUQHDBZ-IBGZPJMESA-N	1	0	353.466	1.952	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2-c2noc(C)n2)CC1	ZINC000363284820	989061514	/nfs/dbraw/zinc/06/15/14/989061514.db2.gz	WDBYQCOXQHHTHU-UHFFFAOYSA-N	1	0	369.425	1.750	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CCN(c2ccccc2OC)C1	ZINC000296268718	989084725	/nfs/dbraw/zinc/08/47/25/989084725.db2.gz	HJRGTAHTLUEKQE-KRWDZBQOSA-N	1	0	358.486	1.776	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2O)CC1	ZINC000369758566	989149914	/nfs/dbraw/zinc/14/99/14/989149914.db2.gz	ZBYOKGJVXAHBFZ-GOSISDBHSA-N	1	0	369.465	1.601	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC000363402503	989166435	/nfs/dbraw/zinc/16/64/35/989166435.db2.gz	MICJQAIDTBBSEZ-ROUUACIJSA-N	1	0	359.470	1.992	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(C(=O)NCCCC)cc1	ZINC000296451414	989217131	/nfs/dbraw/zinc/21/71/31/989217131.db2.gz	VKBOREIJRZHFBD-UHFFFAOYSA-N	1	0	358.486	1.971	20	30		FDEDRO
CN(C)c1ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc1F	ZINC000873820762	989254964	/nfs/dbraw/zinc/25/49/64/989254964.db2.gz	UZOOEUDVZHQJLD-UHFFFAOYSA-N	1	0	363.437	1.524	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cnccc1C(F)(F)F	ZINC000873820825	989255072	/nfs/dbraw/zinc/25/50/72/989255072.db2.gz	XTFOONUFWNSSSE-UHFFFAOYSA-N	1	0	371.363	1.733	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(F)c1)C(C)C	ZINC000873863582	989349869	/nfs/dbraw/zinc/34/98/69/989349869.db2.gz	DYVXJWCTHZJLMW-QGZVFWFLSA-N	1	0	374.460	1.680	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1C#N	ZINC000873895625	989408496	/nfs/dbraw/zinc/40/84/96/989408496.db2.gz	VVBASOTZWQHUDJ-IBGZPJMESA-N	1	0	356.426	1.450	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)c1	ZINC000873909903	989433740	/nfs/dbraw/zinc/43/37/40/989433740.db2.gz	SURHNGHFUWVERR-UHFFFAOYSA-N	1	0	365.437	1.386	20	30		FDEDRO
CC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000370109022	989456792	/nfs/dbraw/zinc/45/67/92/989456792.db2.gz	DBSPXTYSDXCOBP-KRWDZBQOSA-N	1	0	370.501	1.905	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N[C@@H](Cc1nc(C)no1)c1ccccc1	ZINC000297029838	989462483	/nfs/dbraw/zinc/46/24/83/989462483.db2.gz	VURYTVKCOLCYPA-KRWDZBQOSA-N	1	0	355.442	1.916	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@H](c1cnn(C)c1)c1ccc(F)cc1	ZINC000297043777	989465920	/nfs/dbraw/zinc/46/59/20/989465920.db2.gz	WUMQFIQULACSPI-SFHVURJKSA-N	1	0	357.433	1.903	20	30		FDEDRO
CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1	ZINC000364074884	989488839	/nfs/dbraw/zinc/48/88/39/989488839.db2.gz	ULYZICYAUKHTCR-RTBURBONSA-N	1	0	354.454	1.650	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCc2c(ncn2-c2ccccc2)C1	ZINC000297311030	989510597	/nfs/dbraw/zinc/51/05/97/989510597.db2.gz	IEBCBFBXDPPXPB-UHFFFAOYSA-N	1	0	351.454	1.895	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NC[C@H](c1ccc(C)o1)N1CCOCC1	ZINC000297548702	989562099	/nfs/dbraw/zinc/56/20/99/989562099.db2.gz	NBGLDEJDQXXZME-QGZVFWFLSA-N	1	0	362.474	1.216	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1	ZINC000370234985	989575674	/nfs/dbraw/zinc/57/56/74/989575674.db2.gz	BMNDVAOTVNIERP-UXHICEINSA-N	1	0	370.497	1.873	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCCNC(=O)[C@@H]2Cc2ccccc2)CC1	ZINC000297819267	989709517	/nfs/dbraw/zinc/70/95/17/989709517.db2.gz	XKEOKHALJZQLEA-IBGZPJMESA-N	1	0	370.497	1.780	20	30		FDEDRO
CCc1nnc(N2CCN([C@H]3CCCCNC3=O)CC2)c(C#N)c1CC	ZINC000370450682	989756271	/nfs/dbraw/zinc/75/62/71/989756271.db2.gz	VAUSERZMEDNVGM-KRWDZBQOSA-N	1	0	356.474	1.264	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cccc(OCCCC#N)c3)CC[C@H]21	ZINC000874169055	989851592	/nfs/dbraw/zinc/85/15/92/989851592.db2.gz	BXXMKJRVLVZCSS-CRAIPNDOSA-N	1	0	370.453	1.860	20	30		FDEDRO
C[NH+](C)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CC(C)(C)C#N	ZINC000298262118	989996437	/nfs/dbraw/zinc/99/64/37/989996437.db2.gz	GDZVMAJFZTWKPA-KRWDZBQOSA-N	1	0	356.470	1.558	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000371027521	990190390	/nfs/dbraw/zinc/19/03/90/990190390.db2.gz	ITGFKKNKHIFILX-KRWDZBQOSA-N	1	0	359.470	1.388	20	30		FDEDRO
COc1ccc([C@H](CCC#N)[NH2+]C2CCN(c3nnnn3C)CC2)cc1	ZINC000365488229	990245581	/nfs/dbraw/zinc/24/55/81/990245581.db2.gz	DRGAQYZUOYHXQH-KRWDZBQOSA-N	1	0	355.446	1.822	20	30		FDEDRO
C#CCOc1ccc(C[N@H+]2CCCN(c3ncccc3C(N)=O)CC2)cc1	ZINC000371418538	990417892	/nfs/dbraw/zinc/41/78/92/990417892.db2.gz	DIPGTPZKSPTRJG-UHFFFAOYSA-N	1	0	364.449	1.905	20	30		FDEDRO
CCN1CCO[C@@H](CN2CCN(Cc3ccc(C#N)cc3OC)CC2)C1	ZINC000371465972	990452797	/nfs/dbraw/zinc/45/27/97/990452797.db2.gz	KBISTQXTGRFODB-LJQANCHMSA-N	1	0	358.486	1.405	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccc(OCC#N)cc1	ZINC000371479825	990460722	/nfs/dbraw/zinc/46/07/22/990460722.db2.gz	JYTLYCFKDLKLIJ-ZUEVXXBESA-N	1	0	356.426	1.960	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC2(C[C@@H]2C(=O)N(C)C2CC2)CC1	ZINC000371541476	990512414	/nfs/dbraw/zinc/51/24/14/990512414.db2.gz	BNEUCLNEFKSDIA-UKRRQHHQSA-N	1	0	362.474	1.110	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1	ZINC000371636851	990588768	/nfs/dbraw/zinc/58/87/68/990588768.db2.gz	ZNRSXKATZPFWPI-IIAWOOMASA-N	1	0	356.426	1.469	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@@H]2CCCN(c3cccc(F)c3)C2=O)CC1	ZINC000371664070	990608374	/nfs/dbraw/zinc/60/83/74/990608374.db2.gz	PPYADYICTXHAKK-GOSISDBHSA-N	1	0	357.429	1.783	20	30		FDEDRO
CCCCCCCCNC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000874985718	990676439	/nfs/dbraw/zinc/67/64/39/990676439.db2.gz	IEBFJAKNNKOLJJ-UHFFFAOYSA-N	1	0	366.550	1.702	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000874994223	990694318	/nfs/dbraw/zinc/69/43/18/990694318.db2.gz	MYTZFVSRGRWMJC-KRWDZBQOSA-N	1	0	351.491	1.749	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1	ZINC000874995143	990697222	/nfs/dbraw/zinc/69/72/22/990697222.db2.gz	XEYOJZPNVDIAFW-OALUTQOASA-N	1	0	371.481	1.484	20	30		FDEDRO
N#Cc1cccc(OCCCN2CCN([C@H]3CCCCNC3=O)CC2)c1	ZINC000372006582	990887365	/nfs/dbraw/zinc/88/73/65/990887365.db2.gz	LWDJOXFSORTKCN-IBGZPJMESA-N	1	0	356.470	1.613	20	30		FDEDRO
CCC[N@H+](CC)CCNC(=O)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000372217665	990966987	/nfs/dbraw/zinc/96/69/87/990966987.db2.gz	QGNSIBSLVFRNPZ-QRWLVFNGSA-N	1	0	369.469	1.773	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1	ZINC000372250002	990980488	/nfs/dbraw/zinc/98/04/88/990980488.db2.gz	YRDJFYISXPNSBY-OAHLLOKOSA-N	1	0	355.438	1.770	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CSC[C@@H]3C2)CC1	ZINC000875182282	991022071	/nfs/dbraw/zinc/02/20/71/991022071.db2.gz	JTQCUVAQIDEEFP-GJZGRUSLSA-N	1	0	351.516	1.355	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccncc1	ZINC000875205102	991074451	/nfs/dbraw/zinc/07/44/51/991074451.db2.gz	ZMIIHMBPUOXJQY-ZWKOTPCHSA-N	1	0	356.470	1.948	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC1	ZINC000372409857	991085715	/nfs/dbraw/zinc/08/57/15/991085715.db2.gz	LJQAMGASZLSDTC-RNIPGJKVSA-N	1	0	362.518	1.424	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCN(CC(=O)NCc3ccc(C#N)cc3)CC2)CCO1	ZINC000372552944	991205690	/nfs/dbraw/zinc/20/56/90/991205690.db2.gz	NCOOJSHISSBPGA-INIZCTEOSA-N	1	0	356.470	1.360	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)ccc1F	ZINC000372578415	991236828	/nfs/dbraw/zinc/23/68/28/991236828.db2.gz	MIZRKGBELKKUDE-CXAGYDPISA-N	1	0	374.416	1.253	20	30		FDEDRO
Cc1oc(NC(=O)[C@H](C)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c(C#N)c1C	ZINC000372607788	991265957	/nfs/dbraw/zinc/26/59/57/991265957.db2.gz	WAYWOIPSULRQGI-RDJZCZTQSA-N	1	0	373.501	1.807	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+](CC=C)[C@H](C)c2cccc(-n3cnnn3)c2)C1=O	ZINC000410368130	991273240	/nfs/dbraw/zinc/27/32/40/991273240.db2.gz	LYVZQVNHIKMMFN-CRAIPNDOSA-N	1	0	352.442	1.998	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1)[C@@H]1CCCO1	ZINC000875325466	991322775	/nfs/dbraw/zinc/32/27/75/991322775.db2.gz	RGZFXCQHEIYFCQ-BZSNNMDCSA-N	1	0	361.486	1.197	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1	ZINC000410509238	991515071	/nfs/dbraw/zinc/51/50/71/991515071.db2.gz	MYJZYBGACIOFDS-SFHVURJKSA-N	1	0	364.534	1.430	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1	ZINC000410509236	991515690	/nfs/dbraw/zinc/51/56/90/991515690.db2.gz	MYJZYBGACIOFDS-GOSISDBHSA-N	1	0	364.534	1.430	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1	ZINC000875595820	991780368	/nfs/dbraw/zinc/78/03/68/991780368.db2.gz	FFJFUGKZMAONMG-JZXOWHBKSA-N	1	0	361.486	1.006	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1	ZINC000875600713	991788943	/nfs/dbraw/zinc/78/89/43/991788943.db2.gz	UBNLAUZCACBEFN-KRWDZBQOSA-N	1	0	351.491	1.110	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000875603929	991793171	/nfs/dbraw/zinc/79/31/71/991793171.db2.gz	GOUSMYFWLQUCLH-MOPGFXCFSA-N	1	0	371.481	1.121	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000875604849	991794346	/nfs/dbraw/zinc/79/43/46/991794346.db2.gz	SRTZEGYEWWQBHW-RTBURBONSA-N	1	0	371.481	1.264	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](C(=O)N[C@](C)(C#N)CN(C)C)[C@@H](c2cnn(C)c2)C1	ZINC000875704469	991923048	/nfs/dbraw/zinc/92/30/48/991923048.db2.gz	DATVHOPZFITNFH-YQVWRLOYSA-N	1	0	360.506	1.194	20	30		FDEDRO
C#C[C@@H](NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(Cl)cc1	ZINC000875723433	991948121	/nfs/dbraw/zinc/94/81/21/991948121.db2.gz	XEBGCVYQLFQUQG-CVEARBPZSA-N	1	0	362.861	1.653	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1	ZINC000875919658	992192361	/nfs/dbraw/zinc/19/23/61/992192361.db2.gz	MZVPLYCMMNQDBK-ZWKOTPCHSA-N	1	0	350.507	1.226	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000875925087	992197861	/nfs/dbraw/zinc/19/78/61/992197861.db2.gz	ZZALQPOTFGKVDB-QRVBRYPASA-N	1	0	359.470	1.207	20	30		FDEDRO
CC1=NO[C@@H](CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1	ZINC000875983606	992232909	/nfs/dbraw/zinc/23/29/09/992232909.db2.gz	ZRPUQILDHHYOEI-GOSISDBHSA-N	1	0	355.442	1.940	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(O)(Cc3ccccc3OC)CC2)CC1	ZINC000373747754	992407503	/nfs/dbraw/zinc/40/75/03/992407503.db2.gz	XEKJJRZJAWCVQY-UHFFFAOYSA-N	1	0	370.493	1.936	20	30		FDEDRO
CCOC(=O)Cc1csc(N(CC[NH+](C)C)C(=O)[C@@H](C)CC#N)n1	ZINC000876316200	992542214	/nfs/dbraw/zinc/54/22/14/992542214.db2.gz	CAVKAGKICWFSBK-LBPRGKRZSA-N	1	0	352.460	1.693	20	30		FDEDRO
C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)CCC#N)C[C@@H](C)O1	ZINC000374028359	992565008	/nfs/dbraw/zinc/56/50/08/992565008.db2.gz	ZMWOWWVGPXYJJQ-KURKYZTESA-N	1	0	361.490	1.216	20	30		FDEDRO
C=CCN1CC[C@H]([NH+]2CCC(CC(=O)N3CCN(CC)CC3)CC2)C1=O	ZINC000374100964	992610436	/nfs/dbraw/zinc/61/04/36/992610436.db2.gz	HOTWGNHPYAJJHW-SFHVURJKSA-N	1	0	362.518	1.040	20	30		FDEDRO
COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1cc(C#N)cc(N(C)C)c1	ZINC000876475169	992647049	/nfs/dbraw/zinc/64/70/49/992647049.db2.gz	LUVRWJBZFWGJEA-LJQANCHMSA-N	1	0	360.458	1.043	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])s1	ZINC000876510886	992674868	/nfs/dbraw/zinc/67/48/68/992674868.db2.gz	YVOPHHPKMPTGCJ-GXTWGEPZSA-N	1	0	371.528	1.483	20	30		FDEDRO
N#Cc1c[nH]c2cc(C(=O)N3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)ccc12	ZINC000876511861	992675305	/nfs/dbraw/zinc/67/53/05/992675305.db2.gz	CFQFWZKIIDBNGH-OAHLLOKOSA-N	1	0	365.437	1.324	20	30		FDEDRO
CCO[C@H]1C[C@H](O)C12CC[NH+](CC(=O)N(C)C1(C#N)CCCCC1)CC2	ZINC000374180125	992676484	/nfs/dbraw/zinc/67/64/84/992676484.db2.gz	ABGNKLCWNDNLHA-IRXDYDNUSA-N	1	0	363.502	1.923	20	30		FDEDRO
CCCNC(=O)C1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876573865	992712914	/nfs/dbraw/zinc/71/29/14/992712914.db2.gz	FWVLIWNHOXJMNC-GOSISDBHSA-N	1	0	354.454	1.510	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@@H](O)COc1ccccc1	ZINC000876602920	992733606	/nfs/dbraw/zinc/73/36/06/992733606.db2.gz	XLTNMHVOQMGTEG-VQIMIIECSA-N	1	0	351.406	1.301	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@H](C(=O)N(C)C)C1	ZINC000411950869	992734117	/nfs/dbraw/zinc/73/41/17/992734117.db2.gz	WSPWZGUUQCUCMU-HOTGVXAUSA-N	1	0	372.469	1.740	20	30		FDEDRO
CC[NH2+][C@H](C)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1	ZINC000876605085	992735331	/nfs/dbraw/zinc/73/53/31/992735331.db2.gz	QOVHSWNXMUTPOV-RILUTCLRSA-N	1	0	352.460	1.436	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@](C(N)=O)(c2ccccc2)C1	ZINC000411964367	992741131	/nfs/dbraw/zinc/74/11/31/992741131.db2.gz	IODVGPZRMZHGBU-IIBYNOLFSA-N	1	0	368.481	1.847	20	30		FDEDRO
C=CCN(C(=O)c1csc(C2CC[NH2+]CC2)n1)[C@H]1CCS(=O)(=O)C1	ZINC000876613661	992742379	/nfs/dbraw/zinc/74/23/79/992742379.db2.gz	GLRYNLABRNRZML-ZDUSSCGKSA-N	1	0	369.512	1.425	20	30		FDEDRO
C[C@](C#N)(NC(=O)C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1)C1CC1	ZINC000412006531	992761932	/nfs/dbraw/zinc/76/19/32/992761932.db2.gz	HLYYURJKMYEOSU-VQTJNVASSA-N	1	0	371.481	1.915	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C[C@H](C(F)(F)F)O1	ZINC000876684954	992793338	/nfs/dbraw/zinc/79/33/38/992793338.db2.gz	LMDHUDIBTRBLLS-KMUNFCNLSA-N	1	0	353.344	1.923	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1	ZINC000876734829	992849795	/nfs/dbraw/zinc/84/97/95/992849795.db2.gz	KEDDCJFWXOXMMQ-HNNXBMFYSA-N	1	0	350.850	1.483	20	30		FDEDRO
N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000876755566	992877589	/nfs/dbraw/zinc/87/75/89/992877589.db2.gz	VGXIQHIBJZIQCH-IBGZPJMESA-N	1	0	368.481	1.506	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(c2ccc(C(=O)OC)cc2)C[C@@H]1C	ZINC000876876360	992945395	/nfs/dbraw/zinc/94/53/95/992945395.db2.gz	OYSNJDMDBNOUJX-XJKSGUPXSA-N	1	0	365.861	1.980	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CC[C@@H](OCc2ccccn2)C1	ZINC000876900805	992958812	/nfs/dbraw/zinc/95/88/12/992958812.db2.gz	RHFQVYKDMPHMPO-UYAOXDASSA-N	1	0	362.433	1.958	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](CNC(=O)c3ccco3)C2)CC1	ZINC000374872523	992961414	/nfs/dbraw/zinc/96/14/14/992961414.db2.gz	GSSSCEJITVKOTB-INIZCTEOSA-N	1	0	357.454	1.593	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[C@H](CN2CCCC2=O)C1	ZINC000876974769	992992270	/nfs/dbraw/zinc/99/22/70/992992270.db2.gz	SFQKKBXHBQUUHL-BEFAXECRSA-N	1	0	352.438	1.216	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CC[NH2+]C23CCC3)s1	ZINC000877003929	993005424	/nfs/dbraw/zinc/00/54/24/993005424.db2.gz	CYVOWQWMXPIJQU-CYBMUJFWSA-N	1	0	369.512	1.156	20	30		FDEDRO
C[NH+](C)Cc1cc(=O)n2c(n1)CN(Cc1ccc(OCC#N)cc1)CCC2	ZINC001137117752	993189611	/nfs/dbraw/zinc/18/96/11/993189611.db2.gz	FBEIUHZLGAZLER-UHFFFAOYSA-N	1	0	367.453	1.613	20	30		FDEDRO
COc1ccc(-n2ccc(=[NH+]CCN3CCOCC3)c(N)c2)c(C#N)c1	ZINC001212781065	993387907	/nfs/dbraw/zinc/38/79/07/993387907.db2.gz	XORLIQQIBPNMHB-UHFFFAOYSA-N	1	0	353.426	1.173	20	30		FDEDRO
Cn1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)cc1=O	ZINC001095635818	993872225	/nfs/dbraw/zinc/87/22/25/993872225.db2.gz	VRVXSTIOIUEOCE-QYZOEREBSA-N	1	0	362.433	1.792	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCN1CCCS1(=O)=O	ZINC001110890662	994558011	/nfs/dbraw/zinc/55/80/11/994558011.db2.gz	CHWDXBFNUHMWBY-OAGGEKHMSA-N	1	0	369.531	1.346	20	30		FDEDRO
Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(OCC#N)cc2)cn1	ZINC000879190159	994615245	/nfs/dbraw/zinc/61/52/45/994615245.db2.gz	KCEUWETVASLGJD-KRWDZBQOSA-N	1	0	353.426	1.717	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1	ZINC000879214124	994642322	/nfs/dbraw/zinc/64/23/22/994642322.db2.gz	XFCRRSADVWFGEO-CHWSQXEVSA-N	1	0	354.451	1.091	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCCCCCN2CC[NH2+]CC2)cc1Cl	ZINC000923682601	994848499	/nfs/dbraw/zinc/84/84/99/994848499.db2.gz	RTRNJFVLMJBSQL-UHFFFAOYSA-N	1	0	370.906	1.565	20	30		FDEDRO
CC(C)CC(=O)N1CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000879756671	995253744	/nfs/dbraw/zinc/25/37/44/995253744.db2.gz	AJDHVBFBPRYAHH-GOSISDBHSA-N	1	0	359.470	1.878	20	30		FDEDRO
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12	ZINC000925168691	995362497	/nfs/dbraw/zinc/36/24/97/995362497.db2.gz	XINQRJYPGWKBOK-SQNIBIBYSA-N	1	0	374.510	1.813	20	30		FDEDRO
C=C(C)C[C@@H]1NC(=O)N(Cc2ccc(CN3CC[NH+](C)CC3)cc2)C1=O	ZINC000925277516	995446712	/nfs/dbraw/zinc/44/67/12/995446712.db2.gz	UDTOGJYYQUGSMJ-SFHVURJKSA-N	1	0	356.470	1.821	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000880138249	995674724	/nfs/dbraw/zinc/67/47/24/995674724.db2.gz	TVEHMPLYGTWFRA-ZWKOTPCHSA-N	1	0	364.453	1.851	20	30		FDEDRO
N#Cc1ccc(OCCN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1	ZINC000880250521	995753498	/nfs/dbraw/zinc/75/34/98/995753498.db2.gz	DLKKJFNBBWOPDP-UHFFFAOYSA-N	1	0	356.470	1.743	20	30		FDEDRO
N#CC1(CCC[NH+]2CCC(C(N)=O)(N3CCCCC3)CC2)CCOCC1	ZINC000880254415	995759642	/nfs/dbraw/zinc/75/96/42/995759642.db2.gz	WJMVEIGWFSIZRL-UHFFFAOYSA-N	1	0	362.518	1.893	20	30		FDEDRO
Cc1c(C(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)cnn1CCC#N	ZINC000926180645	995962982	/nfs/dbraw/zinc/96/29/82/995962982.db2.gz	QERZZGQWURKSNE-VXIBKDFQSA-N	1	0	359.474	1.315	20	30		FDEDRO
CCN(C(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)[C@@H]1CC[NH2+]C1	ZINC000887004442	996819520	/nfs/dbraw/zinc/81/95/20/996819520.db2.gz	NVXMBKWRQTXKLA-CQSZACIVSA-N	1	0	369.450	1.831	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)c(F)c1	ZINC000887040361	996861051	/nfs/dbraw/zinc/86/10/51/996861051.db2.gz	AVOTWTQVSGDSEY-IBGZPJMESA-N	1	0	361.392	1.877	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)cc1C#N	ZINC000887041879	996864986	/nfs/dbraw/zinc/86/49/86/996864986.db2.gz	HZZJYCYMJDJKAC-LJQANCHMSA-N	1	0	356.426	1.498	20	30		FDEDRO
C#CCC1([NH2+]Cc2nc3c(c(=O)[nH]c(=O)n3CCCC)n2C)CCOCC1	ZINC000887125899	996955504	/nfs/dbraw/zinc/95/55/04/996955504.db2.gz	OHEJABBNWOKTKW-UHFFFAOYSA-N	1	0	373.457	1.298	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCN1Cc1ccccc1	ZINC000333615857	997244403	/nfs/dbraw/zinc/24/44/03/997244403.db2.gz	YQXFKJILDFCFCQ-UAFMIMERSA-N	1	0	367.497	1.794	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NC[C@H](O)c2ccccc2OC)cc1OC	ZINC000264067320	997393661	/nfs/dbraw/zinc/39/36/61/997393661.db2.gz	BXBZIDTWNDXLQD-HNNXBMFYSA-N	1	0	359.426	1.850	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1	ZINC000264075554	997396491	/nfs/dbraw/zinc/39/64/91/997396491.db2.gz	FNYZZENLVJBFQU-RRFJBIMHSA-N	1	0	362.474	1.375	20	30		FDEDRO
C[NH+]=C(NCc1ccco1)NCc1ccccc1OCCN1CCOCC1	ZINC000264081377	997398745	/nfs/dbraw/zinc/39/87/45/997398745.db2.gz	UOSITTRLLPFPFP-UHFFFAOYSA-N	1	0	372.469	1.856	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1cccc(NC(=O)C2CCC2)c1	ZINC000264093328	997401238	/nfs/dbraw/zinc/40/12/38/997401238.db2.gz	LLLWIQQKIHBYBN-UHFFFAOYSA-N	1	0	373.501	1.552	20	30		FDEDRO
C=C(C)CNC(=[NH2+])NCc1cccc(NC(=O)CCN2CCOCC2)c1	ZINC000264095995	997401748	/nfs/dbraw/zinc/40/17/48/997401748.db2.gz	MQWBTFYZTBCLNB-UHFFFAOYSA-N	1	0	359.474	1.328	20	30		FDEDRO
CCOCc1ccc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)cc1	ZINC000264114942	997405352	/nfs/dbraw/zinc/40/53/52/997405352.db2.gz	SFGGFZLIUXIHMX-UHFFFAOYSA-N	1	0	354.458	1.650	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCc2ccc(C(N)=O)cc2)CC1	ZINC000264119948	997405698	/nfs/dbraw/zinc/40/56/98/997405698.db2.gz	QTGNUWAZWLJVKA-UHFFFAOYSA-N	1	0	361.446	1.153	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(Cc3ccncc3)CC2)CC1	ZINC000264337778	997468348	/nfs/dbraw/zinc/46/83/48/997468348.db2.gz	BAASDDOQFUKELU-UHFFFAOYSA-N	1	0	357.502	1.949	20	30		FDEDRO
C=CCOc1ccc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1OC	ZINC000264440031	997511356	/nfs/dbraw/zinc/51/13/56/997511356.db2.gz	BOFBLMIXBXJLHX-HNNXBMFYSA-N	1	0	361.442	1.330	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCC(c2ccc(S(N)(=O)=O)cc2)CC1	ZINC000887616070	997530565	/nfs/dbraw/zinc/53/05/65/997530565.db2.gz	BKKUQFIDYOCKCA-UHFFFAOYSA-N	1	0	365.499	1.548	20	30		FDEDRO
C[NH+](C)CCN1C[C@@H](C(=O)N2CCC(c3ccc(C#N)cc3)CC2)CC1=O	ZINC000887704655	997668026	/nfs/dbraw/zinc/66/80/26/997668026.db2.gz	NUYILVLAZFSEIJ-IBGZPJMESA-N	1	0	368.481	1.674	20	30		FDEDRO
CC(C)[NH+]1CCN(CCC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)CC1	ZINC000887737153	997712964	/nfs/dbraw/zinc/71/29/64/997712964.db2.gz	QSIPQBNQELRTND-FQEVSTJZSA-N	1	0	370.497	1.874	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)CCNC(=O)C1N=CC=CC1=O)c1ccccc1	ZINC000265386829	997779966	/nfs/dbraw/zinc/77/99/66/997779966.db2.gz	AYPHIMFOYVODPJ-IJYGLTAASA-N	1	0	356.426	1.322	20	30		FDEDRO
C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](CC2CC2)CC1	ZINC000283026813	997786294	/nfs/dbraw/zinc/78/62/94/997786294.db2.gz	UAFZLGKRRGBRPS-UHFFFAOYSA-N	1	0	358.490	1.622	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCC12OCCO2	ZINC000889508645	998389040	/nfs/dbraw/zinc/38/90/40/998389040.db2.gz	LXPQLOPJYONZJW-SFHVURJKSA-N	1	0	372.469	1.927	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC3(C[C@H]3NC(=O)[C@@H]3C[C@H]3CC)CC2)CC1	ZINC000965575526	1016212494	/nfs/dbraw/zinc/21/24/94/1016212494.db2.gz	JBEHSOATXPYBAS-BHIYHBOVSA-N	1	0	371.525	1.875	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)ccc1C1CC1	ZINC000889799433	998668906	/nfs/dbraw/zinc/66/89/06/998668906.db2.gz	TYTQNMTWGBGQOD-UHFFFAOYSA-N	1	0	370.453	1.603	20	30		FDEDRO
C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)Nc2cccc(CC#N)n2)C1	ZINC000889799870	998669161	/nfs/dbraw/zinc/66/91/61/998669161.db2.gz	ZUAOXICTCGAQKX-IYBDPMFKSA-N	1	0	371.485	1.960	20	30		FDEDRO
C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)Nc2cccc(CC#N)n2)C1	ZINC000889799868	998669305	/nfs/dbraw/zinc/66/93/05/998669305.db2.gz	ZUAOXICTCGAQKX-HOTGVXAUSA-N	1	0	371.485	1.960	20	30		FDEDRO
COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C2CC2)c(C#N)c1	ZINC000889904130	998723113	/nfs/dbraw/zinc/72/31/13/998723113.db2.gz	VDMSFUUOWDOKBF-UHFFFAOYSA-N	1	0	358.442	1.411	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)Nc2cccc(CC#N)n2)C1	ZINC000889978529	998756199	/nfs/dbraw/zinc/75/61/99/998756199.db2.gz	IJURMTXPOFCZCN-INIZCTEOSA-N	1	0	373.457	1.045	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NCCC2(O)CC[NH+](Cc3ccccc3)CC2)CCO1	ZINC000890000686	998764920	/nfs/dbraw/zinc/76/49/20/998764920.db2.gz	ZURYLLGMFZPXQW-GOSISDBHSA-N	1	0	372.469	1.338	20	30		FDEDRO
CCN(CCC#N)C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000890129488	998831056	/nfs/dbraw/zinc/83/10/56/998831056.db2.gz	RVSCBGZUHSHNGR-SFHVURJKSA-N	1	0	369.469	1.672	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1coc3c1C(=O)NCCC3)C2	ZINC001110837402	999005631	/nfs/dbraw/zinc/00/56/31/999005631.db2.gz	NSGJMCPHGUHZMT-BMFZPTHFSA-N	1	0	373.453	1.493	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC(F)F)C2	ZINC001110855671	999046785	/nfs/dbraw/zinc/04/67/85/999046785.db2.gz	FHVFUZZBSINFIP-KFWWJZLASA-N	1	0	373.444	1.414	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occ3c1CCOC3)C2	ZINC001110858637	999056417	/nfs/dbraw/zinc/05/64/17/999056417.db2.gz	JSADAFUPJWCRHF-WNOSKKOXSA-N	1	0	373.453	1.378	20	30		FDEDRO
CN(C(=O)Cc1ccccc1CC#N)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000777399351	999061174	/nfs/dbraw/zinc/06/11/74/999061174.db2.gz	NOHBJLMWBLXKTC-FQEVSTJZSA-N	1	0	354.498	1.922	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCS(C)(=O)=O	ZINC001110863251	999072212	/nfs/dbraw/zinc/07/22/12/999072212.db2.gz	BFEHODYXDZFOOF-CBZIJGRNSA-N	1	0	372.531	1.371	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(NC(=O)OC)c2)CC1	ZINC000266646358	999209030	/nfs/dbraw/zinc/20/90/30/999209030.db2.gz	FORZBHNLVVIPEE-UHFFFAOYSA-N	1	0	360.414	1.570	20	30		FDEDRO
COc1ccc(O[C@@H](C)CNC(=[NH2+])N2CCN(c3ncccn3)CC2)cc1	ZINC000267431763	999334053	/nfs/dbraw/zinc/33/40/53/999334053.db2.gz	MVUYUAKTPSENEM-HNNXBMFYSA-N	1	0	370.457	1.389	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N	ZINC000267438642	999335360	/nfs/dbraw/zinc/33/53/60/999335360.db2.gz	OPFRBFHWNSWJAI-AWEZNQCLSA-N	1	0	369.473	1.506	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC1([NH+](C)C)CCCC1	ZINC000268109472	999431902	/nfs/dbraw/zinc/43/19/02/999431902.db2.gz	OLOQNMJBGDOPEB-HNNXBMFYSA-N	1	0	371.489	1.443	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1	ZINC000270233249	999528231	/nfs/dbraw/zinc/52/82/31/999528231.db2.gz	MMNJIXHZIXUEEW-QGZVFWFLSA-N	1	0	369.465	1.827	20	30		FDEDRO
C=CCNC(=O)c1ccc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)nc1	ZINC000270463430	999562050	/nfs/dbraw/zinc/56/20/50/999562050.db2.gz	LTOOIAATFUEGFJ-UHFFFAOYSA-N	1	0	371.529	1.992	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)nn1CCC#N	ZINC000271094373	999660137	/nfs/dbraw/zinc/66/01/37/999660137.db2.gz	VWIOUPMVZDWOKS-KGLIPLIRSA-N	1	0	360.462	1.280	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)nn1CCC#N	ZINC000271204780	999674581	/nfs/dbraw/zinc/67/45/81/999674581.db2.gz	ZZRQRXUCJPKDPI-INIZCTEOSA-N	1	0	372.473	1.234	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)CC1	ZINC000271686771	999725215	/nfs/dbraw/zinc/72/52/15/999725215.db2.gz	QMAXJDBZZGLPAF-QFBILLFUSA-N	1	0	353.470	1.901	20	30		FDEDRO
CCCNC(=O)C[C@@H](C(N)=O)[N@H+](CCC)Cc1ccc(OC)c(C#N)c1	ZINC000273858409	999729966	/nfs/dbraw/zinc/72/99/66/999729966.db2.gz	NCYCGVHSKAZVMO-INIZCTEOSA-N	1	0	360.458	1.549	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NCCc1cccnc1)C(C)C	ZINC000283475053	999754906	/nfs/dbraw/zinc/75/49/06/999754906.db2.gz	GLNCQDFOFFRGIQ-GOSISDBHSA-N	1	0	358.486	1.555	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C	ZINC000283499359	999756083	/nfs/dbraw/zinc/75/60/83/999756083.db2.gz	PKWDQBUGWDBGGO-KRWDZBQOSA-N	1	0	363.458	1.123	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1)c1ccc(C#N)cc1	ZINC000283978037	999763629	/nfs/dbraw/zinc/76/36/29/999763629.db2.gz	LXZCKDPQAUCNIW-MRXNPFEDSA-N	1	0	364.449	1.984	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)NCC1(C)CCOCC1)C(C)C	ZINC000284028197	999773429	/nfs/dbraw/zinc/77/34/29/999773429.db2.gz	LMXCRQXKSLRJRO-KRWDZBQOSA-N	1	0	365.518	1.734	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccccc2OC(F)F)CC1	ZINC000284106589	999776900	/nfs/dbraw/zinc/77/69/00/999776900.db2.gz	UQJXGORMUWWVEP-UHFFFAOYSA-N	1	0	367.396	1.671	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000284108873	999777161	/nfs/dbraw/zinc/77/71/61/999777161.db2.gz	CHVYBAQOIATLHU-SJORKVTESA-N	1	0	357.454	1.611	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NCc1cccc(C[NH+](CC)CC)c1	ZINC000284302511	999802184	/nfs/dbraw/zinc/80/21/84/999802184.db2.gz	UGKMICJYXZCCOX-UHFFFAOYSA-N	1	0	361.486	1.854	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCc1cccc(C[N@@H+](C)CC)c1	ZINC000285022687	999895261	/nfs/dbraw/zinc/89/52/61/999895261.db2.gz	MWHUIWKSCIKRMU-RBUKOAKNSA-N	1	0	373.497	1.852	20	30		FDEDRO
C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N(C)Cc1cccc(C#N)c1	ZINC000285156561	999903256	/nfs/dbraw/zinc/90/32/56/999903256.db2.gz	SYVUHNAWQDJCCS-ZACQAIPSSA-N	1	0	370.497	1.999	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2cccc3c2OCO3)CC1	ZINC000285275822	999908019	/nfs/dbraw/zinc/90/80/19/999908019.db2.gz	USOBJSNDJZCDCA-UHFFFAOYSA-N	1	0	359.426	1.188	20	30		FDEDRO
CC[N@H+](CCNC(=O)C(=O)N(Cc1ccc(C#N)cc1)C(C)C)C1CC1	ZINC000285910258	999924670	/nfs/dbraw/zinc/92/46/70/999924670.db2.gz	ICXVJULUKBBGOF-UHFFFAOYSA-N	1	0	356.470	1.896	20	30		FDEDRO
C=CCOc1ccc(/C=C/C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1OC	ZINC000286209410	999942824	/nfs/dbraw/zinc/94/28/24/999942824.db2.gz	SNFRTWGAZBNEQJ-SUQGKYDKSA-N	1	0	371.481	1.779	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2c2cccn2C)CC1	ZINC000286758847	999949371	/nfs/dbraw/zinc/94/93/71/999949371.db2.gz	TZGQYSMJXZVQMA-SFHVURJKSA-N	1	0	358.486	1.845	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21	ZINC000287499111	999958149	/nfs/dbraw/zinc/95/81/49/999958149.db2.gz	VSFWVEAMMFRRDQ-RDJZCZTQSA-N	1	0	357.454	1.420	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C	ZINC000287659849	999959075	/nfs/dbraw/zinc/95/90/75/999959075.db2.gz	BJHGYQVIHCFGBK-GDBMZVCRSA-N	1	0	373.428	1.861	20	30		FDEDRO
C#CC[C@H](Cc1ccccc1)NC(=O)NCCN1CCC([NH+](C)C)CC1	ZINC000287678652	999959117	/nfs/dbraw/zinc/95/91/17/999959117.db2.gz	JAXANFVNSGOHPW-LJQANCHMSA-N	1	0	356.514	1.946	20	30		FDEDRO
C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000288205332	999996756	/nfs/dbraw/zinc/99/67/56/999996756.db2.gz	PUHGXTNUZZDHJM-UKRRQHHQSA-N	1	0	372.473	1.533	20	30		FDEDRO
C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000288346674	1000009923	/nfs/dbraw/zinc/00/99/23/1000009923.db2.gz	YYXJSXRIRJIXGB-WMLDXEAASA-N	1	0	352.438	1.533	20	30		FDEDRO
CCC[C@]1(CO)CCN(CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1	ZINC000288923575	1000059806	/nfs/dbraw/zinc/05/98/06/1000059806.db2.gz	VHZIOJYTGUJZGY-YWZLYKJASA-N	1	0	368.437	1.996	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C	ZINC000288990527	1000066316	/nfs/dbraw/zinc/06/63/16/1000066316.db2.gz	LIFHWOYBSMANQR-CVEARBPZSA-N	1	0	355.438	1.722	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1	ZINC000289382807	1000095394	/nfs/dbraw/zinc/09/53/94/1000095394.db2.gz	CONSMCHXXJSRRE-GOSISDBHSA-N	1	0	351.454	1.779	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCC(=O)N2CCCCc3ccccc32)CC1	ZINC000927224756	1000719740	/nfs/dbraw/zinc/71/97/40/1000719740.db2.gz	DRRRGQPLXYBFDH-UHFFFAOYSA-N	1	0	368.481	1.753	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)CC#N)CC1	ZINC000927359226	1000794857	/nfs/dbraw/zinc/79/48/57/1000794857.db2.gz	DWAXEBSXSLTEHW-IYBDPMFKSA-N	1	0	362.474	1.975	20	30		FDEDRO
C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1	ZINC000927633244	1000947502	/nfs/dbraw/zinc/94/75/02/1000947502.db2.gz	MSWAFPWMPCEVND-MRXNPFEDSA-N	1	0	365.474	1.226	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CCC([C@H](C)[NH3+])CC3)cc21	ZINC000927793114	1001051610	/nfs/dbraw/zinc/05/16/10/1001051610.db2.gz	PEKXLQQTFAVGRP-ZDUSSCGKSA-N	1	0	355.442	1.747	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)N(C)CC(F)(F)F)C2	ZINC001110939722	1001374451	/nfs/dbraw/zinc/37/44/51/1001374451.db2.gz	ZMDIPBNAJIUNHZ-YJNKXOJESA-N	1	0	363.424	1.793	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCN(CC(F)(F)F)C1)C2	ZINC001110945166	1001505355	/nfs/dbraw/zinc/50/53/55/1001505355.db2.gz	AEQZCYPQQVIUNG-JJXSEGSLSA-N	1	0	373.419	1.242	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H](C)[C@H](O)CN(C)C(=O)OC(C)(C)C)CC1	ZINC000928648510	1001606360	/nfs/dbraw/zinc/60/63/60/1001606360.db2.gz	MIOORBCSMJGFHW-GDBMZVCRSA-N	1	0	367.490	1.064	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H](C)N2C(=O)c3ccc(C)cc3C2=O)CC1	ZINC000928658976	1001614684	/nfs/dbraw/zinc/61/46/84/1001614684.db2.gz	AFBGZZZHCFNWKD-CQSZACIVSA-N	1	0	353.422	1.193	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CCN2c3ccccc3O[C@H](C)C2=O)CC1	ZINC000928659227	1001614693	/nfs/dbraw/zinc/61/46/93/1001614693.db2.gz	IRMQRPLLDXLDBC-OAHLLOKOSA-N	1	0	355.438	1.404	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CO[C@@H](CCC(=O)OC(C)(C)C)C2)CC1	ZINC000928660143	1001615187	/nfs/dbraw/zinc/61/51/87/1001615187.db2.gz	JHZLFGCNOKGCEJ-RDJZCZTQSA-N	1	0	364.486	1.727	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)CC1	ZINC000928661583	1001616567	/nfs/dbraw/zinc/61/65/67/1001616567.db2.gz	ZRMKRWGJFXOJCJ-HXUWFJFHSA-N	1	0	366.465	1.429	20	30		FDEDRO
N#Cc1ccc(N[C@@H]2CCCN(C(=O)C3C[NH+]([C@H]4CCOC4)C3)C2)nc1	ZINC000928718689	1001635162	/nfs/dbraw/zinc/63/51/62/1001635162.db2.gz	ANZFSTNSAPKHML-SJORKVTESA-N	1	0	355.442	1.077	20	30		FDEDRO
N#Cc1ccc(N[C@H]2CCCN(C(=O)C3C[NH+]([C@@H]4CCOC4)C3)C2)nc1	ZINC000928718686	1001635406	/nfs/dbraw/zinc/63/54/06/1001635406.db2.gz	ANZFSTNSAPKHML-DLBZAZTESA-N	1	0	355.442	1.077	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cc1	ZINC000929257398	1001868416	/nfs/dbraw/zinc/86/84/16/1001868416.db2.gz	RMNMNMRIUIYKGV-QGZVFWFLSA-N	1	0	363.483	1.400	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1ccc2ncccc2c1)C1CC[NH+](C)CC1	ZINC000929537339	1002178996	/nfs/dbraw/zinc/17/89/96/1002178996.db2.gz	MTWKYNQLZGWQNL-UHFFFAOYSA-N	1	0	364.449	1.407	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H](C)Cc1ccccc1C)C1CC[NH+](C)CC1	ZINC000929594084	1002240948	/nfs/dbraw/zinc/24/09/48/1002240948.db2.gz	ZBYJSKCRFUETAO-QGZVFWFLSA-N	1	0	355.482	1.598	20	30		FDEDRO
CCC[NH+]1CCC(CNC(=O)C(=O)N(C)Cc2cc(C#N)cs2)CC1	ZINC000929645961	1002305502	/nfs/dbraw/zinc/30/55/02/1002305502.db2.gz	JYSSNCWKEQBRFU-UHFFFAOYSA-N	1	0	362.499	1.816	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)CC1	ZINC000948448370	1002348012	/nfs/dbraw/zinc/34/80/12/1002348012.db2.gz	ANTXCNWUDZYMMF-ZHALLVOQSA-N	1	0	358.486	1.927	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)CC1	ZINC000948449498	1002351893	/nfs/dbraw/zinc/35/18/93/1002351893.db2.gz	SEQVSBYADSHAIV-QRVBRYPASA-N	1	0	358.486	1.834	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1	ZINC000948458586	1002363822	/nfs/dbraw/zinc/36/38/22/1002363822.db2.gz	YNMQJNGFIGBQPN-SJKOYZFVSA-N	1	0	362.393	1.425	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cc1	ZINC000929858735	1002522721	/nfs/dbraw/zinc/52/27/21/1002522721.db2.gz	FIVVIELZIYXHRB-QZTJIDSGSA-N	1	0	372.469	1.665	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N2CCN(C)CC[N@@H+](C)CC2)cc1	ZINC000929859744	1002523532	/nfs/dbraw/zinc/52/35/32/1002523532.db2.gz	WIEGUIIRLZZZBK-UHFFFAOYSA-N	1	0	359.474	1.314	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H](COC)c1ccccc1)C1CC[NH+](C)CC1	ZINC000929865374	1002531343	/nfs/dbraw/zinc/53/13/43/1002531343.db2.gz	NYCWRYMKVZKSKN-GOSISDBHSA-N	1	0	357.454	1.046	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[NH+]2CCC(N(C)S(C)(=O)=O)CC2)cc1	ZINC000929895070	1002573505	/nfs/dbraw/zinc/57/35/05/1002573505.db2.gz	YGPGMYMMRWSGNY-UHFFFAOYSA-N	1	0	363.483	1.352	20	30		FDEDRO
C=C(Cl)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC000948775790	1002665372	/nfs/dbraw/zinc/66/53/72/1002665372.db2.gz	QRASEIPTAAUMHU-OWCLPIDISA-N	1	0	371.909	1.688	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)Nc2cc(Br)cn(C)c2=O)C1	ZINC000930294801	1003003411	/nfs/dbraw/zinc/00/34/11/1003003411.db2.gz	FUDHLNGXNJYELN-LBPRGKRZSA-N	1	0	367.247	1.367	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C	ZINC000949208385	1003100726	/nfs/dbraw/zinc/10/07/26/1003100726.db2.gz	MFZFOKLVNWBMSG-SJLPKXTDSA-N	1	0	371.481	1.924	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1	ZINC000930444050	1003138797	/nfs/dbraw/zinc/13/87/97/1003138797.db2.gz	YHOPWAWFQIIRLL-UHFFFAOYSA-N	1	0	366.347	1.973	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Nc1ccc2nc(N3CCOCC3)oc2c1	ZINC000930549290	1003258522	/nfs/dbraw/zinc/25/85/22/1003258522.db2.gz	LZTZMCGUIJPYND-UHFFFAOYSA-N	1	0	371.441	1.741	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1	ZINC000930645883	1003356557	/nfs/dbraw/zinc/35/65/57/1003356557.db2.gz	HJEVMWDHJDFXIA-ILXRZTDVSA-N	1	0	360.520	1.311	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)C[N@H+](C[C@@H](C)OC)CCO2	ZINC000949476968	1003378125	/nfs/dbraw/zinc/37/81/25/1003378125.db2.gz	MEXHILMPUWXCMK-ZACQAIPSSA-N	1	0	352.475	1.306	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)c1	ZINC000930797380	1003514483	/nfs/dbraw/zinc/51/44/83/1003514483.db2.gz	ONPLMQQFBHCKOB-LJQANCHMSA-N	1	0	364.449	1.488	20	30		FDEDRO
CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCC(C)(C)CC#N)[NH+](C)C)cc1	ZINC000930821842	1003548953	/nfs/dbraw/zinc/54/89/53/1003548953.db2.gz	WKGNHYSHAYBURT-QGZVFWFLSA-N	1	0	373.501	1.528	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1	ZINC000930939493	1003683303	/nfs/dbraw/zinc/68/33/03/1003683303.db2.gz	KKCKVVQFFZBXMQ-KRWDZBQOSA-N	1	0	356.470	1.942	20	30		FDEDRO
CC(=O)N[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1)C(C)C	ZINC001111296857	1003734658	/nfs/dbraw/zinc/73/46/58/1003734658.db2.gz	YIMKDHZSCCNJCM-YSTOQKLRSA-N	1	0	368.481	1.940	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)C34CCC(CC3)C4)C2)CC1	ZINC000949862142	1003757564	/nfs/dbraw/zinc/75/75/64/1003757564.db2.gz	LRAMBBGVUAEMDG-JPNCZVRGSA-N	1	0	371.525	1.875	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[C@@H]3C=CCC3)C2)CC1	ZINC000949864706	1003757871	/nfs/dbraw/zinc/75/78/71/1003757871.db2.gz	BRYVYOMLBGHBBV-ZHALLVOQSA-N	1	0	357.498	1.651	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3cc(F)c[nH]3)C2)CC1	ZINC000949864747	1003759230	/nfs/dbraw/zinc/75/92/30/1003759230.db2.gz	FVMMMOYAWHNUTD-CXAGYDPISA-N	1	0	360.433	1.076	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C)CC(=C)C1)C2	ZINC001111001897	1003789761	/nfs/dbraw/zinc/78/97/61/1003789761.db2.gz	MUJPZQCTZUXABN-FPCVCCKLSA-N	1	0	374.485	1.465	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1	ZINC000931033356	1003795189	/nfs/dbraw/zinc/79/51/89/1003795189.db2.gz	QBRIBAZSORHNMZ-UHFFFAOYSA-N	1	0	374.510	1.816	20	30		FDEDRO
C#CC1(O)CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)CC1	ZINC000931144426	1003922134	/nfs/dbraw/zinc/92/21/34/1003922134.db2.gz	XZBCHQMTTPCTGK-LSDHHAIUSA-N	1	0	358.438	1.484	20	30		FDEDRO
CN(C(=O)CN1CC[NH+](CCCCCO)CC1)C1(C#N)CCCCC1	ZINC000931500714	1004220148	/nfs/dbraw/zinc/22/01/48/1004220148.db2.gz	PYISKJHFWPBSFQ-UHFFFAOYSA-N	1	0	350.507	1.451	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)NCc1cc(C#N)ccc1F)[N@@H+]1CCC[C@H](C)C1	ZINC000931593254	1004296033	/nfs/dbraw/zinc/29/60/33/1004296033.db2.gz	VUJSKYABJMSJJO-UONOGXRCSA-N	1	0	360.433	1.550	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F	ZINC000931861659	1004550755	/nfs/dbraw/zinc/55/07/55/1004550755.db2.gz	OSKCWLQJXSXAKB-LLVKDONJSA-N	1	0	366.384	1.306	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Nc1ccc(OCCS(C)(=O)=O)cc1	ZINC000931893549	1004583843	/nfs/dbraw/zinc/58/38/43/1004583843.db2.gz	ISHRCYUIVZYTSL-UHFFFAOYSA-N	1	0	367.471	1.187	20	30		FDEDRO
C[C@]1([C@H]2CCC[N@H+](C[C@@H](O)CC3(C#N)CCOCC3)C2)COC(=O)N1	ZINC000932024636	1004715040	/nfs/dbraw/zinc/71/50/40/1004715040.db2.gz	SZVDJJJHIVUKAU-YQQAZPJKSA-N	1	0	351.447	1.268	20	30		FDEDRO
C[C@@]1([C@H]2CCC[N@H+](CC(=O)NCc3ccc(C#N)cc3)C2)COC(=O)N1	ZINC000932025442	1004715171	/nfs/dbraw/zinc/71/51/71/1004715171.db2.gz	GGOCJEKQGSXPLX-LPHOPBHVSA-N	1	0	356.426	1.385	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F	ZINC000932073209	1004752484	/nfs/dbraw/zinc/75/24/84/1004752484.db2.gz	WZJRSYQQSCRHQE-HZPDHXFCSA-N	1	0	353.388	1.778	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1ccc(CNC(=O)C2(C#N)CCSCC2)cc1	ZINC000932158289	1004798735	/nfs/dbraw/zinc/79/87/35/1004798735.db2.gz	CINAWXBFUADZAS-UHFFFAOYSA-N	1	0	374.510	1.631	20	30		FDEDRO
Cn1nc(C(F)(F)F)c2cc(C(=O)NC3(C#N)CC[NH+](C)CC3)cnc21	ZINC000932178692	1004811159	/nfs/dbraw/zinc/81/11/59/1004811159.db2.gz	RNTPHCUNTLCBJE-UHFFFAOYSA-N	1	0	366.347	1.705	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2cccc([C@]3(C)COC(=O)N3)c2)CC1	ZINC000932422992	1004950892	/nfs/dbraw/zinc/95/08/92/1004950892.db2.gz	OIWNZDRQIPAWPR-IBGZPJMESA-N	1	0	356.426	1.861	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1C#N	ZINC000932478775	1004981223	/nfs/dbraw/zinc/98/12/23/1004981223.db2.gz	PUOKBHSBGNDVNA-OAHLLOKOSA-N	1	0	356.470	1.672	20	30		FDEDRO
COc1ncc(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1C#N	ZINC000932512012	1004995270	/nfs/dbraw/zinc/99/52/70/1004995270.db2.gz	OBBGPLPNZPUMNM-CYBMUJFWSA-N	1	0	359.430	1.584	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H](CC#N)C(F)(F)F)cn2)CC1	ZINC000932927301	1005248750	/nfs/dbraw/zinc/24/87/50/1005248750.db2.gz	ULLFUZASVFICPW-ZDUSSCGKSA-N	1	0	370.379	1.477	20	30		FDEDRO
COc1ccc(C[C@](C)(CO)[NH2+]C[C@@H](O)COc2ccccc2C#N)cc1	ZINC000933427212	1005555903	/nfs/dbraw/zinc/55/59/03/1005555903.db2.gz	DIZMPTSMFHFQNU-WIYYLYMNSA-N	1	0	370.449	1.890	20	30		FDEDRO
C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]C[C@H](O)CC1(C#N)CCOCC1	ZINC000933445910	1005558832	/nfs/dbraw/zinc/55/88/32/1005558832.db2.gz	RHBOIBZZDZEJEG-MSOLQXFVSA-N	1	0	350.434	1.780	20	30		FDEDRO
C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1	ZINC000778171176	1005559122	/nfs/dbraw/zinc/55/91/22/1005559122.db2.gz	BZJIAUYGKXGYAY-ZDUSSCGKSA-N	1	0	356.875	1.723	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCOC[C@@H]2C[C@@H]2CCOC2)cc1	ZINC000933666011	1005602688	/nfs/dbraw/zinc/60/26/88/1005602688.db2.gz	LAKUKUNDYUAHQH-GBESFXJTSA-N	1	0	360.454	1.620	20	30		FDEDRO
COC(=O)C1([C@@]2(O)CCC[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)CCC1	ZINC000933841270	1005646310	/nfs/dbraw/zinc/64/63/10/1005646310.db2.gz	QOVOFPRPNFCWPJ-YLJYHZDGSA-N	1	0	358.438	1.762	20	30		FDEDRO
Cn1cc([C@@H]2CSCCC[N@@H+]2C[C@@H](O)CC2(C#N)CCOCC2)cn1	ZINC000933974848	1005669644	/nfs/dbraw/zinc/66/96/44/1005669644.db2.gz	XHBLTWAMAUTTEG-IRXDYDNUSA-N	1	0	364.515	1.971	20	30		FDEDRO
CN1CCN(Cc2ccc(Br)cc2C#N)CC[N@H+](C)CC1	ZINC000933993081	1005674179	/nfs/dbraw/zinc/67/41/79/1005674179.db2.gz	VLVYUSYDVHFHCN-UHFFFAOYSA-N	1	0	351.292	2.000	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(OC)c1C)C2	ZINC001111065661	1005689050	/nfs/dbraw/zinc/68/90/50/1005689050.db2.gz	ARILPMNPKHPZTN-OIISXLGYSA-N	1	0	355.438	1.088	20	30		FDEDRO
CO[C@@H]1CC[C@H]1[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000934119108	1005695950	/nfs/dbraw/zinc/69/59/50/1005695950.db2.gz	VUEJDRJZIYLUQX-CEXWTWQISA-N	1	0	374.460	1.644	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@](C)(CO)c1cccc(Br)c1	ZINC000934499316	1005753564	/nfs/dbraw/zinc/75/35/64/1005753564.db2.gz	QPIRZZHTYWVYMK-HNNXBMFYSA-N	1	0	370.247	1.258	20	30		FDEDRO
CN(C)[S@](C)(=O)=NCC1CC[NH+](CCC(=O)N(C)CCC#N)CC1	ZINC000934751987	1005792411	/nfs/dbraw/zinc/79/24/11/1005792411.db2.gz	MQFMVKJQQFMCPF-XMMPIXPASA-N	1	0	357.524	1.035	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCc3ccc(O)c(F)c3)=[NH+]C[C@@H]2C1	ZINC000089120940	1006011117	/nfs/dbraw/zinc/01/11/17/1006011117.db2.gz	UHEXPRYYMCYZJB-CYBMUJFWSA-N	1	0	364.421	1.912	20	30		FDEDRO
C[N@@H+]1CC[C@]2(CCN(CC(=O)[C@@H](C#N)c3nc4ccccc4c(=O)[nH]3)C2)C1	ZINC000795312667	1006043373	/nfs/dbraw/zinc/04/33/73/1006043373.db2.gz	XQIRQGXCWKVORD-QRWLVFNGSA-N	1	0	365.437	1.539	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCOCC1	ZINC001111107093	1006078120	/nfs/dbraw/zinc/07/81/20/1006078120.db2.gz	IIEVQVCQRDOWEL-YRXWBPOGSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)C2	ZINC001111115910	1006280069	/nfs/dbraw/zinc/28/00/69/1006280069.db2.gz	OEOLPBWEPBIEGG-OAGGEKHMSA-N	1	0	371.547	1.782	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(CCCCC)n[nH]1)C2	ZINC001111135083	1006371371	/nfs/dbraw/zinc/37/13/71/1006371371.db2.gz	AEEJEHXJXDFELT-NUJGCVRESA-N	1	0	371.485	1.227	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCN2CCOCC2)C3)c1	ZINC001111150849	1006471140	/nfs/dbraw/zinc/47/11/40/1006471140.db2.gz	VGMXHSDSJMDBCO-AQNXPRMDSA-N	1	0	368.481	1.502	20	30		FDEDRO
NC(=[NH+]OCc1ccc(CO)cc1)c1ccc(N2CCC(O)CC2)cc1	ZINC000778593692	1006530174	/nfs/dbraw/zinc/53/01/74/1006530174.db2.gz	AEAOPDPHJMPXKZ-UHFFFAOYSA-N	1	0	355.438	1.977	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(-n3cncn3)n1)C2	ZINC001111200269	1006839398	/nfs/dbraw/zinc/83/93/98/1006839398.db2.gz	OJNBQWJYBQISTD-OIISXLGYSA-N	1	0	368.441	1.200	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN(C)S(=O)(=O)CC)C2	ZINC001111209891	1006898848	/nfs/dbraw/zinc/89/88/48/1006898848.db2.gz	NKJDGGITNDGSJR-ZACQAIPSSA-N	1	0	371.547	1.736	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3scnc3c1)C2	ZINC001111218857	1006935439	/nfs/dbraw/zinc/93/54/39/1006935439.db2.gz	VJOJJJMMEKDHCH-FMKPAKJESA-N	1	0	370.478	1.934	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nc3ccccn3c1F)C2	ZINC001111224493	1006958615	/nfs/dbraw/zinc/95/86/15/1006958615.db2.gz	LLZZIVYSQMHAMR-MCIONIFRSA-N	1	0	371.416	1.111	20	30		FDEDRO
O=C(NCC#Cc1ccccc1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000641750153	1007132492	/nfs/dbraw/zinc/13/24/92/1007132492.db2.gz	YBNMXXJMLCLDSR-HXUWFJFHSA-N	1	0	370.497	1.134	20	30		FDEDRO
COC[C@@H]1CCCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1	ZINC000246691944	1007327373	/nfs/dbraw/zinc/32/73/73/1007327373.db2.gz	HVZCXZKNRAKHOT-BEFAXECRSA-N	1	0	356.426	1.641	20	30		FDEDRO
CN1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)C1=O	ZINC001095888855	1007347530	/nfs/dbraw/zinc/34/75/30/1007347530.db2.gz	ISKIAJUGMWGCQC-BDXSIMOUSA-N	1	0	352.438	1.258	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1	ZINC000955365819	1007389704	/nfs/dbraw/zinc/38/97/04/1007389704.db2.gz	YRLZFSWDUMYIDH-FGTMMUONSA-N	1	0	361.486	1.121	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1	ZINC000955367641	1007397021	/nfs/dbraw/zinc/39/70/21/1007397021.db2.gz	VDLSMUTWESMRQU-NXHRZFHOSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=CCn1cc(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)nn1	ZINC000648779369	1008612669	/nfs/dbraw/zinc/61/26/69/1008612669.db2.gz	MEBSOKQLKMQVML-UHFFFAOYSA-N	1	0	355.442	1.869	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)nn1	ZINC000648833679	1008666974	/nfs/dbraw/zinc/66/69/74/1008666974.db2.gz	WCZWMPPFOSTOFE-DLBZAZTESA-N	1	0	355.442	1.077	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000646416143	1008747128	/nfs/dbraw/zinc/74/71/28/1008747128.db2.gz	WRLZEFOIGUEQMR-ULQDDVLXSA-N	1	0	353.507	1.661	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCN1C(=O)CC1CC[NH+](C)CC1	ZINC000950217280	1008869878	/nfs/dbraw/zinc/86/98/78/1008869878.db2.gz	ZLRRSBZCNJPWNR-AOIWGVFYSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)CC[NH+]1CCCCC1	ZINC000950234901	1008922541	/nfs/dbraw/zinc/92/25/41/1008922541.db2.gz	DRNVLLSSDPPCFT-KSZLIROESA-N	1	0	363.502	1.561	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC000950253806	1008962389	/nfs/dbraw/zinc/96/23/89/1008962389.db2.gz	LQAPWRKDHPWCQB-SLFFLAALSA-N	1	0	367.493	1.658	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)cn1	ZINC000950254606	1008964277	/nfs/dbraw/zinc/96/42/77/1008964277.db2.gz	XHVFTALHFRVUSK-FGTMMUONSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1	ZINC000950382758	1009110984	/nfs/dbraw/zinc/11/09/84/1009110984.db2.gz	YQAXGGZNSHEQEW-IAGOWNOFSA-N	1	0	370.497	1.879	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C	ZINC000950390024	1009117457	/nfs/dbraw/zinc/11/74/57/1009117457.db2.gz	GULUFJQNUHCQBB-DDBAPUKQSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@@H]1CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC000950591639	1009354320	/nfs/dbraw/zinc/35/43/20/1009354320.db2.gz	SYOXOSQIZJYTKT-YESZJQIVSA-N	1	0	358.486	1.735	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cccn2C(C)C)C1	ZINC000950648608	1009469188	/nfs/dbraw/zinc/46/91/88/1009469188.db2.gz	UCMIDIXKUHHIEZ-LMMKCTJWSA-N	1	0	370.497	1.743	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCC(=O)NC2CCCCC2)CC1	ZINC000303872601	1009646091	/nfs/dbraw/zinc/64/60/91/1009646091.db2.gz	GLYFFQVXLAETQM-UHFFFAOYSA-N	1	0	367.494	1.351	20	30		FDEDRO
CC(C)c1cccc(NC(=[NH2+])NCc2ccc(C(=O)NCC(N)=O)cc2)c1	ZINC000303877490	1009647838	/nfs/dbraw/zinc/64/78/38/1009647838.db2.gz	FIHDHIGNMJOFSW-UHFFFAOYSA-N	1	0	367.453	1.952	20	30		FDEDRO
CNC(=O)c1ccc(CNC(=[NH2+])NCc2ccc(OC)c(OC)c2)cc1	ZINC000303894541	1009679952	/nfs/dbraw/zinc/67/99/52/1009679952.db2.gz	OZKDIJYMCYNZIK-UHFFFAOYSA-N	1	0	356.426	1.668	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2	ZINC000950785925	1009814156	/nfs/dbraw/zinc/81/41/56/1009814156.db2.gz	LEINTFPSYVXIDL-BBWFWOEESA-N	1	0	361.486	1.171	20	30		FDEDRO
CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCC(Nc2ccnc(C#N)n2)CC1	ZINC001111334869	1009916135	/nfs/dbraw/zinc/91/61/35/1009916135.db2.gz	PBTWVZGNKMBYPV-HZPDHXFCSA-N	1	0	370.501	1.445	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)CCN1CC[NH2+]CC1	ZINC000647835732	1009949177	/nfs/dbraw/zinc/94/91/77/1009949177.db2.gz	LRVLMXVQKZWMKS-INIZCTEOSA-N	1	0	350.532	1.488	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1	ZINC000648181209	1010295928	/nfs/dbraw/zinc/29/59/28/1010295928.db2.gz	CURQYZGSCHJMAM-HNNXBMFYSA-N	1	0	363.483	1.555	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC[C@H]1CN(C)Cc1ccccc1C#N	ZINC000960684197	1010598573	/nfs/dbraw/zinc/59/85/73/1010598573.db2.gz	PMCBFECRGHLTGW-SNRMKQJTSA-N	1	0	357.454	1.785	20	30		FDEDRO
C[NH+]1CCC(NC(=S)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000779729847	1010861524	/nfs/dbraw/zinc/86/15/24/1010861524.db2.gz	JKNJJDNMRZRLOH-KRWDZBQOSA-N	1	0	371.510	1.612	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CC1	ZINC000951523347	1010916214	/nfs/dbraw/zinc/91/62/14/1010916214.db2.gz	CKTBCYQXQMNWFS-ZGXWSNOMSA-N	1	0	371.525	1.875	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1	ZINC000951925973	1011138193	/nfs/dbraw/zinc/13/81/93/1011138193.db2.gz	CEKTYJDFZOKISE-KURKYZTESA-N	1	0	363.502	1.415	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccc2c[nH+]cn2c1C	ZINC000952177135	1011386453	/nfs/dbraw/zinc/38/64/53/1011386453.db2.gz	WPPYLJPAKAMIPL-JQHSSLGASA-N	1	0	368.437	1.565	20	30		FDEDRO
Cn1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)c[nH]c1=O	ZINC001095869454	1011998501	/nfs/dbraw/zinc/99/85/01/1011998501.db2.gz	CVSDBGUVKIELBY-PMPSAXMXSA-N	1	0	351.410	1.533	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CCC([NH2+]CCn2cncn2)CC1	ZINC000963338191	1012165588	/nfs/dbraw/zinc/16/55/88/1012165588.db2.gz	SBGJONFWRAGRLU-HIEASXQVSA-N	1	0	361.490	1.619	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CCN(C(=O)C#CC4CC4)C3)C2)CC[N@@H+]1C	ZINC000953168644	1012298316	/nfs/dbraw/zinc/29/83/16/1012298316.db2.gz	RRCNMKCAAZMWKR-WAOWUJCRSA-N	1	0	357.498	1.581	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2nnc(C(C)C)[nH]2)C1	ZINC000961852230	1012943524	/nfs/dbraw/zinc/94/35/24/1012943524.db2.gz	FHBYOJFASDPFBH-FJBKBRRZSA-N	1	0	361.490	1.894	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCC([NH2+]Cc2ncnn2CC)CC1	ZINC000963926426	1012971281	/nfs/dbraw/zinc/97/12/81/1012971281.db2.gz	MKVSFNZFKATEPK-BACDZXNISA-N	1	0	361.490	1.748	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1	ZINC000953976182	1013002868	/nfs/dbraw/zinc/00/28/68/1013002868.db2.gz	LYAQKGGYMWBHPY-KURKYZTESA-N	1	0	365.518	1.757	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(C(=O)C[NH+](CC)CC)CC1	ZINC000507762014	538922960	/nfs/dbraw/zinc/92/29/60/538922960.db2.gz	ZNRMQIGRNIIASD-QGZVFWFLSA-N	1	0	352.523	1.286	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000192364190	178111607	/nfs/dbraw/zinc/11/16/07/178111607.db2.gz	HNQKQRGVKLBBGL-SFHVURJKSA-N	1	0	371.485	1.690	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)NCC2=CC[NH2+]CC2)c1	ZINC000193383045	178160767	/nfs/dbraw/zinc/16/07/67/178160767.db2.gz	UBPKJDUEZQDPEE-UHFFFAOYSA-N	1	0	356.245	1.519	20	30		FDEDRO
C[N@@H+]1CC[C@@H](NC(=O)CNC(=O)c2ccc(C#N)cc2)[C@H]1c1ccccc1	ZINC000245988930	178393625	/nfs/dbraw/zinc/39/36/25/178393625.db2.gz	WNCKXKBNWQADPV-UYAOXDASSA-N	1	0	362.433	1.850	20	30		FDEDRO
Cc1oc(NC(=O)[C@H](C)N2CC[C@@H](C[NH+]3CCOCC3)C2)c(C#N)c1C	ZINC000246565952	178435172	/nfs/dbraw/zinc/43/51/72/178435172.db2.gz	DRMDFZPCVWIEJZ-HOCLYGCPSA-N	1	0	360.458	1.749	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3nc(N(C)C)oc3c2)CC1	ZINC000513175666	538988294	/nfs/dbraw/zinc/98/82/94/538988294.db2.gz	AEQNHKRPGPWRPS-UHFFFAOYSA-N	1	0	371.441	1.599	20	30		FDEDRO
COc1cc(CNC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)ccc1C#N	ZINC000519572965	539493413	/nfs/dbraw/zinc/49/34/13/539493413.db2.gz	NVTBLWYQKDEPEQ-QGZVFWFLSA-N	1	0	360.458	1.723	20	30		FDEDRO
C[NH+](C)C/C=C/C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N	ZINC000264625353	179152182	/nfs/dbraw/zinc/15/21/82/179152182.db2.gz	MLGZDKPMKXSUPA-GQCTYLIASA-N	1	0	370.432	1.632	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3CC[N@@H+](C(C)C)C3)cc2C1=O	ZINC000522811415	539582944	/nfs/dbraw/zinc/58/29/44/539582944.db2.gz	PCINQVFAWVMHMP-CQSZACIVSA-N	1	0	355.438	1.929	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1	ZINC000524686217	539656936	/nfs/dbraw/zinc/65/69/36/539656936.db2.gz	CSPQPWDTVDZOFQ-UHFFFAOYSA-N	1	0	371.441	1.915	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)CC1	ZINC000525167199	539681099	/nfs/dbraw/zinc/68/10/99/539681099.db2.gz	WDXHDUBECNIALE-MRXNPFEDSA-N	1	0	355.442	1.038	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C	ZINC000268198739	180022956	/nfs/dbraw/zinc/02/29/56/180022956.db2.gz	QYGQJDQNCMFSNX-GUYCJALGSA-N	1	0	370.453	1.883	20	30		FDEDRO
C[C@@H]1C[NH+](CC2CCN(C(=O)Cc3ccc(C#N)nc3)CC2)C[C@@H](C)O1	ZINC000528361939	539753734	/nfs/dbraw/zinc/75/37/34/539753734.db2.gz	CWTXCJHCCXFNCS-HZPDHXFCSA-N	1	0	356.470	1.844	20	30		FDEDRO
C[C@H]1C[C@H]([NH+]2CCCC2)CN1CC#CCN1C(=O)c2ccccc2C1=O	ZINC000528509294	539763682	/nfs/dbraw/zinc/76/36/82/539763682.db2.gz	ZVBBRSCNRXMWOJ-IRXDYDNUSA-N	1	0	351.450	1.845	20	30		FDEDRO
N#Cc1ccc(NC(=O)NC2(C[NH3+])CCOCC2)cc1Br	ZINC000528691914	539773412	/nfs/dbraw/zinc/77/34/12/539773412.db2.gz	OWPQVGKATYIMQD-UHFFFAOYSA-N	1	0	353.220	1.950	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC2(CCOCC2)CC[C@@H]1CO	ZINC000528637825	539772147	/nfs/dbraw/zinc/77/21/47/539772147.db2.gz	HYGOTKOXFMVFGE-MSOLQXFVSA-N	1	0	360.454	1.551	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC3(CCOCC3)CC[C@H]2CO)cc1	ZINC000528637039	539772231	/nfs/dbraw/zinc/77/22/31/539772231.db2.gz	SSIVPAVEXHRDTB-ROUUACIJSA-N	1	0	360.454	1.551	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC(C)([NH+]2CCOCC2)CC1	ZINC000528728313	539779261	/nfs/dbraw/zinc/77/92/61/539779261.db2.gz	AKFIZSLWMIPNIB-QGZVFWFLSA-N	1	0	362.518	1.904	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)CCN1c1nccn2cnnc12	ZINC000269401549	180294681	/nfs/dbraw/zinc/29/46/81/180294681.db2.gz	ZBBGSIGXYJIYRW-PBHICJAKSA-N	1	0	363.425	1.240	20	30		FDEDRO
CN(C)C(=O)N1CCC([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000272603747	180766754	/nfs/dbraw/zinc/76/67/54/180766754.db2.gz	UTWKURJYISYOCZ-SFHVURJKSA-N	1	0	369.469	1.789	20	30		FDEDRO
CN1C(=O)c2ccccc2[C@H]1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000530244610	539921091	/nfs/dbraw/zinc/92/10/91/539921091.db2.gz	OJENOPIHJCHLAZ-MRXNPFEDSA-N	1	0	370.434	1.143	20	30		FDEDRO
Cc1nn(C)c(N2CC[NH+](CCc3nc4ccccc4n3C)CC2)c1C#N	ZINC000530466279	539978210	/nfs/dbraw/zinc/97/82/10/539978210.db2.gz	ZBJLFJXCQUVKLA-UHFFFAOYSA-N	1	0	363.469	1.852	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1	ZINC000530582869	540005304	/nfs/dbraw/zinc/00/53/04/540005304.db2.gz	AYEUTDIUHBCDHY-NRFANRHFSA-N	1	0	365.433	1.690	20	30		FDEDRO
N#Cc1ccc(Cl)cc1NC(=O)CN1CC[C@@H]2[C@H]1CCC[N@H+]2CCO	ZINC000934262299	781931879	/nfs/dbraw/zinc/93/18/79/781931879.db2.gz	WGJQBBKXZLYIDF-IAGOWNOFSA-N	1	0	362.861	1.681	20	30		FDEDRO
N#CCc1ccnc(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)c1	ZINC000532434503	540162912	/nfs/dbraw/zinc/16/29/12/540162912.db2.gz	BAFSDSBONPEVIA-UHFFFAOYSA-N	1	0	350.426	1.693	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)n(CCC#N)n1	ZINC000532681345	540184138	/nfs/dbraw/zinc/18/41/38/540184138.db2.gz	PELZVNOYSLSWPR-INIZCTEOSA-N	1	0	374.489	1.670	20	30		FDEDRO
C=C1CCN([C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1	ZINC000532958534	540192160	/nfs/dbraw/zinc/19/21/60/540192160.db2.gz	KNMMGAAFWFVHMB-CQSZACIVSA-N	1	0	351.472	1.916	20	30		FDEDRO
CO[C@@H](C)C[N@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C(C)C	ZINC000533293279	540227085	/nfs/dbraw/zinc/22/70/85/540227085.db2.gz	FIOZSPRAGLKKHM-AWEZNQCLSA-N	1	0	363.462	1.249	20	30		FDEDRO
N#CCCCOc1cccc(C[NH2+]CCNS(=O)(=O)c2cccnc2)c1	ZINC000533307343	540229179	/nfs/dbraw/zinc/22/91/79/540229179.db2.gz	ZRLUVXZFHMFCMG-UHFFFAOYSA-N	1	0	374.466	1.832	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)n(CCC#N)n1	ZINC000533460195	540251037	/nfs/dbraw/zinc/25/10/37/540251037.db2.gz	XPBHFWHUMGQXKZ-INIZCTEOSA-N	1	0	372.473	1.378	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCCC2)n(CCC#N)n1	ZINC000533462459	540251130	/nfs/dbraw/zinc/25/11/30/540251130.db2.gz	DKIQKRXBTDCRKR-UHFFFAOYSA-N	1	0	360.462	1.424	20	30		FDEDRO
C[C@@H]1CN(c2c(C#N)nnc3ccccc32)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000535006522	540437429	/nfs/dbraw/zinc/43/74/29/540437429.db2.gz	TVEAMMIDTURVJL-DNVCBOLYSA-N	1	0	350.470	1.964	20	30		FDEDRO
N#Cc1ccc([C@@H]([NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)C(N)=O)cc1	ZINC000535410637	540471637	/nfs/dbraw/zinc/47/16/37/540471637.db2.gz	KJZMUGSTUMXKIO-YLJYHZDGSA-N	1	0	362.433	1.723	20	30		FDEDRO
C=CCN(C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)C1CC1	ZINC000536802512	540651550	/nfs/dbraw/zinc/65/15/50/540651550.db2.gz	OFFNICBEOQQRSQ-UHFFFAOYSA-N	1	0	358.490	1.739	20	30		FDEDRO
CCC(CC)(CC(=O)OC)[NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000537048559	540678070	/nfs/dbraw/zinc/67/80/70/540678070.db2.gz	PSIOJLLGHVLUTF-INIZCTEOSA-N	1	0	366.506	1.390	20	30		FDEDRO
N#CCCCS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO	ZINC000538758616	540889093	/nfs/dbraw/zinc/88/90/93/540889093.db2.gz	ACGJKHDAVXMXJW-DLBZAZTESA-N	1	0	351.472	1.093	20	30		FDEDRO
C[C@@H]1C[N@H+](C)CCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000539452008	540961703	/nfs/dbraw/zinc/96/17/03/540961703.db2.gz	JLJAPZIXZNXXSZ-HZPDHXFCSA-N	1	0	361.515	1.093	20	30		FDEDRO
C=CC[C@H](CO)CNC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1	ZINC000539270607	540941615	/nfs/dbraw/zinc/94/16/15/540941615.db2.gz	NRLZAEYNADEJII-KRWDZBQOSA-N	1	0	359.470	1.912	20	30		FDEDRO
C=CCN(C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C1CC1	ZINC000540129284	541029008	/nfs/dbraw/zinc/02/90/08/541029008.db2.gz	WUFPHFPXGMJDRS-UHFFFAOYSA-N	1	0	350.507	1.973	20	30		FDEDRO
C[C@H]1C[N@H+](C)CCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000540547931	541073357	/nfs/dbraw/zinc/07/33/57/541073357.db2.gz	SWDGXSVNPOZCSH-QFBILLFUSA-N	1	0	373.476	1.170	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2cccc(S(=O)(=O)CC)c2)CC1	ZINC000540978619	541129529	/nfs/dbraw/zinc/12/95/29/541129529.db2.gz	YAGSOEDAUZOZOT-UHFFFAOYSA-N	1	0	365.499	1.930	20	30		FDEDRO
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)n1	ZINC000541165312	541161329	/nfs/dbraw/zinc/16/13/29/541161329.db2.gz	RXAXPZBIWWIGBB-INIZCTEOSA-N	1	0	370.844	1.726	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)C3=CC[N@H+](C)CC3)cc2C1=O	ZINC000541894416	541291977	/nfs/dbraw/zinc/29/19/77/541291977.db2.gz	SQMLYKCWFSTDGC-CYBMUJFWSA-N	1	0	353.422	1.849	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)CCCc1[nH]nc(N)c1C#N	ZINC000541895873	541292264	/nfs/dbraw/zinc/29/22/64/541292264.db2.gz	AVCKJSVJEAONDL-KGLIPLIRSA-N	1	0	361.494	1.558	20	30		FDEDRO
CC[NH+](CC)CCOCCNS(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000542759887	541461732	/nfs/dbraw/zinc/46/17/32/541461732.db2.gz	GCMNFYZQKDMMGV-UHFFFAOYSA-N	1	0	359.879	1.848	20	30		FDEDRO
CC(=O)Nc1ccc(S(=O)(=O)N2CCC([NH2+]CCCC#N)CC2)cc1	ZINC000543428621	541591021	/nfs/dbraw/zinc/59/10/21/541591021.db2.gz	ZLWZJZDMBXHXLQ-UHFFFAOYSA-N	1	0	364.471	1.691	20	30		FDEDRO
CC[C@H]1C[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC(=O)N1	ZINC000543550929	541609645	/nfs/dbraw/zinc/60/96/45/541609645.db2.gz	FSUXPXJEJMHYQL-MSOLQXFVSA-N	1	0	356.470	1.753	20	30		FDEDRO
CC[NH+](CC)CCOCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000543689057	541636496	/nfs/dbraw/zinc/63/64/96/541636496.db2.gz	RCTPDMJDZNXFSO-UHFFFAOYSA-N	1	0	370.431	1.103	20	30		FDEDRO
CCOC(=O)Cc1nnc(NC(=O)N(CCC#N)CCC[NH+](C)C)s1	ZINC000269825848	674113912	/nfs/dbraw/zinc/11/39/12/674113912.db2.gz	LSEHYVSVYKDENF-UHFFFAOYSA-N	1	0	368.463	1.343	20	30		FDEDRO
C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCc1cccc(C#N)c1	ZINC000283513702	182203550	/nfs/dbraw/zinc/20/35/50/182203550.db2.gz	BVQVAHGWOBGWJQ-XHSDSOJGSA-N	1	0	356.470	1.657	20	30		FDEDRO
CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NCc2cccc(C#N)c2)CC1	ZINC000283521501	182205521	/nfs/dbraw/zinc/20/55/21/182205521.db2.gz	CLKBSKIAZDLDAD-UHFFFAOYSA-N	1	0	372.469	1.180	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(C#N)cc1	ZINC000284073090	182356086	/nfs/dbraw/zinc/35/60/86/182356086.db2.gz	RLVWGSKNMRWXLO-JKSUJKDBSA-N	1	0	372.469	1.353	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(c2cccc(C#N)n2)CC1)[NH+]1CCC(C)CC1	ZINC000545479183	541981620	/nfs/dbraw/zinc/98/16/20/541981620.db2.gz	QPEDIKWZKNUGPG-KRWDZBQOSA-N	1	0	370.501	1.905	20	30		FDEDRO
COC(=O)[C@@](C)(C[NH2+]C[C@H]1CNc2c(C#N)cnn2C1)c1ccc(F)cc1	ZINC000570570441	549329386	/nfs/dbraw/zinc/32/93/86/549329386.db2.gz	PYBIGZJKHBOOAH-DJJJIMSYSA-N	1	0	371.416	1.656	20	30		FDEDRO
CC1(C)COCCN1CCNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000286211595	183014967	/nfs/dbraw/zinc/01/49/67/183014967.db2.gz	SHEXZUNTPPKHTO-INIZCTEOSA-N	1	0	374.460	1.751	20	30		FDEDRO
CC[NH+]1CCC(CCNC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)CC1	ZINC000286694303	183130637	/nfs/dbraw/zinc/13/06/37/183130637.db2.gz	BTPHIOLIXPTWKY-UHFFFAOYSA-N	1	0	356.470	1.755	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)o2)[C@@H](C)C1	ZINC000286940932	183177325	/nfs/dbraw/zinc/17/73/25/183177325.db2.gz	QIOUUBTUNWTOFI-DZGCQCFKSA-N	1	0	355.460	1.567	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1	ZINC000546708436	542206017	/nfs/dbraw/zinc/20/60/17/542206017.db2.gz	BYYIFPUNECMGNY-UHFFFAOYSA-N	1	0	374.441	1.075	20	30		FDEDRO
CC[C@@H](CNS(C)(=O)=O)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1	ZINC000295030125	184028816	/nfs/dbraw/zinc/02/88/16/184028816.db2.gz	LMEHWMJPRXECFG-HNNXBMFYSA-N	1	0	350.488	1.444	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)Nc1ccnn1CC[NH+](C)C	ZINC000297336482	184259336	/nfs/dbraw/zinc/25/93/36/184259336.db2.gz	JIOIBHQWTGHOCY-UHFFFAOYSA-N	1	0	372.429	1.986	20	30		FDEDRO
C[N@@H+]1CC[C@](O)(CNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1	ZINC000547289738	542301443	/nfs/dbraw/zinc/30/14/43/542301443.db2.gz	HCJFMYBAQVKHJF-KRWDZBQOSA-N	1	0	374.832	1.585	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CC[NH+](C(C)C)CC1	ZINC000547319122	542311594	/nfs/dbraw/zinc/31/15/94/542311594.db2.gz	JGXYOGODDJPBFO-UHFFFAOYSA-N	1	0	353.430	2.005	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)c1cccnc1[N+](=O)[O-])C(C)C	ZINC000547710525	542424917	/nfs/dbraw/zinc/42/49/17/542424917.db2.gz	TXLHBOQIMVDHMT-CQSZACIVSA-N	1	0	368.459	1.967	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)C[C@H]1CCOC1	ZINC000171958083	258270534	/nfs/dbraw/zinc/27/05/34/258270534.db2.gz	MINMGUOJLKWUOI-KRWDZBQOSA-N	1	0	351.472	1.288	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@H](O)Cc2cccc(C(F)(F)F)c2)CC1	ZINC000548304014	542617503	/nfs/dbraw/zinc/61/75/03/542617503.db2.gz	MFKZTFRKJZBUAS-CQSZACIVSA-N	1	0	355.360	1.713	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C	ZINC000548766349	542774227	/nfs/dbraw/zinc/77/42/27/542774227.db2.gz	PSAMDBNKRWRCOD-SWLSCSKDSA-N	1	0	358.895	1.869	20	30		FDEDRO
C=C(C)Cn1c(CC2CC2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000549278800	542861836	/nfs/dbraw/zinc/86/18/36/542861836.db2.gz	ASNOXODCAZBCTD-UHFFFAOYSA-N	1	0	372.517	1.551	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCCN(c3ncccn3)C2)cc1	ZINC000549154013	542844777	/nfs/dbraw/zinc/84/47/77/542844777.db2.gz	RQWKMNWGNZXPLZ-SJORKVTESA-N	1	0	353.426	1.347	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCOC(C)(C)[C@@H]1C)C(C)C	ZINC000550838155	543184492	/nfs/dbraw/zinc/18/44/92/543184492.db2.gz	BFSNYPFFLXEKDK-DLBZAZTESA-N	1	0	365.518	1.827	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](C[NH+](C)C)c1ccc(OC)cc1	ZINC000551226045	543255913	/nfs/dbraw/zinc/25/59/13/543255913.db2.gz	ZRFDAVREANLBQV-WMLDXEAASA-N	1	0	368.503	1.614	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1	ZINC000552188976	543434328	/nfs/dbraw/zinc/43/43/28/543434328.db2.gz	WUPOUKWSYOURCZ-KRWDZBQOSA-N	1	0	354.454	1.650	20	30		FDEDRO
CN(C)c1cc[nH+]cc1C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1	ZINC000972083757	782014461	/nfs/dbraw/zinc/01/44/61/782014461.db2.gz	HSGZUMOYOQIICM-CRAIPNDOSA-N	1	0	352.438	1.234	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1	ZINC000076486535	172110277	/nfs/dbraw/zinc/11/02/77/172110277.db2.gz	IJDQULHTRTZJGY-QGZVFWFLSA-N	1	0	370.497	1.812	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NCCC[NH+]2CCCC2)c1	ZINC000076587064	172112524	/nfs/dbraw/zinc/11/25/24/172112524.db2.gz	FNPFVWKPDWINGR-UHFFFAOYSA-N	1	0	366.368	1.700	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000091209987	172278201	/nfs/dbraw/zinc/27/82/01/172278201.db2.gz	HWHXJPDNKHMOPY-UONOGXRCSA-N	1	0	374.489	1.685	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)n1	ZINC000091240471	172280610	/nfs/dbraw/zinc/28/06/10/172280610.db2.gz	BGWZZNGWYUAPFO-HNNXBMFYSA-N	1	0	372.473	1.609	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)c2c(F)cc(C#N)cc2F)CC1	ZINC000128229416	173103887	/nfs/dbraw/zinc/10/38/87/173103887.db2.gz	CMXTWDKXMMGRRK-UHFFFAOYSA-N	1	0	371.391	1.913	20	30		FDEDRO
N#Cc1cccc(NC(=O)CC[NH+]2CCC(N3CCCNC3=O)CC2)c1	ZINC000135432128	173344477	/nfs/dbraw/zinc/34/44/77/173344477.db2.gz	REXZZZDKRJZHGV-UHFFFAOYSA-N	1	0	355.442	1.767	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CCC(=O)Nc2ccccc2C#N)CC1	ZINC000141606379	173376533	/nfs/dbraw/zinc/37/65/33/173376533.db2.gz	ZWDGIQNOQNVANC-GOSISDBHSA-N	1	0	369.469	1.125	20	30		FDEDRO
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1	ZINC000154518237	173501921	/nfs/dbraw/zinc/50/19/21/173501921.db2.gz	WZFNVRDSSLSTSU-HLIPFELVSA-N	1	0	369.513	1.575	20	30		FDEDRO
Cc1nc(C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1C#N	ZINC000177772394	174155717	/nfs/dbraw/zinc/15/57/17/174155717.db2.gz	MXJVRTBIZSRXEH-GOSISDBHSA-N	1	0	350.422	1.411	20	30		FDEDRO
COC(=O)CN1CCC([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC1	ZINC000183366386	177570292	/nfs/dbraw/zinc/57/02/92/177570292.db2.gz	XRTMWVCTUIMYAS-UHFFFAOYSA-N	1	0	372.469	1.870	20	30		FDEDRO
Cn1cc(C[NH2+]CC2(C(N)=O)CCOCC2)c(-c2ccc(C#N)cc2)n1	ZINC000180050025	258361158	/nfs/dbraw/zinc/36/11/58/258361158.db2.gz	XJQWUURCDAOZLW-UHFFFAOYSA-N	1	0	353.426	1.330	20	30		FDEDRO
COc1ccc(C[NH2+]CCCN2CCN(c3ncccn3)CC2)cc1C#N	ZINC000174262661	258322297	/nfs/dbraw/zinc/32/22/97/258322297.db2.gz	WRKJHWKXJMDPHQ-UHFFFAOYSA-N	1	0	366.469	1.659	20	30		FDEDRO
COc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(C)cc2)cc1C#N	ZINC000174313610	258323499	/nfs/dbraw/zinc/32/34/99/258323499.db2.gz	SSDJLKVZHNTABT-UHFFFAOYSA-N	1	0	359.451	1.943	20	30		FDEDRO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)CC1(O)CCOCC1	ZINC000189748580	258387375	/nfs/dbraw/zinc/38/73/75/258387375.db2.gz	IZGCTKZKGFUYJT-LBPRGKRZSA-N	1	0	363.483	1.909	20	30		FDEDRO
C[C@@H]1CN(C(C)(C)C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C[C@H](C)O1	ZINC000553295357	543605332	/nfs/dbraw/zinc/60/53/32/543605332.db2.gz	WLXMITOUMQETLG-SOLBZPMBSA-N	1	0	361.486	1.775	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)C(=O)N2CCC(C#N)CC2)CC[N@@H+]1Cc1ccccc1	ZINC000553528152	543651978	/nfs/dbraw/zinc/65/19/78/543651978.db2.gz	NLWPFYXJZUNUIC-QFBILLFUSA-N	1	0	368.481	1.918	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccc(Br)c1C#N	ZINC000553799058	543699031	/nfs/dbraw/zinc/69/90/31/543699031.db2.gz	COOKAPZBLNUOCN-SNVBAGLBSA-N	1	0	358.261	1.693	20	30		FDEDRO
C=CCOc1ccc(CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1	ZINC000553869428	543707998	/nfs/dbraw/zinc/70/79/98/543707998.db2.gz	LYFPVQVRCWOKRE-QGZVFWFLSA-N	1	0	374.485	1.638	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1	ZINC000553886415	543711057	/nfs/dbraw/zinc/71/10/57/543711057.db2.gz	JWQCGGRRWULFNV-CJNGLKHVSA-N	1	0	356.467	1.744	20	30		FDEDRO
CC(C)(C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)N1CCOCC1	ZINC000554798011	543872812	/nfs/dbraw/zinc/87/28/12/543872812.db2.gz	HKDRJWIATJECEX-UHFFFAOYSA-N	1	0	351.472	1.032	20	30		FDEDRO
COc1cc(CNC(=O)N=c2ccn(C3CC[NH+](C)CC3)[nH]2)ccc1C#N	ZINC000554988801	543900016	/nfs/dbraw/zinc/90/00/16/543900016.db2.gz	YGUIRVSFXZBUIC-UHFFFAOYSA-N	1	0	368.441	2.352	20	30		FDEDRO
N#CC1CCN(C(=O)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1	ZINC000555781710	544028076	/nfs/dbraw/zinc/02/80/76/544028076.db2.gz	NMVTVUKHODAJOY-UHFFFAOYSA-N	1	0	354.454	1.661	20	30		FDEDRO
N#CC1(NC(=O)CCn2cnccc2=O)CC[NH+](Cc2ccccc2)CC1	ZINC000556712519	544182094	/nfs/dbraw/zinc/18/20/94/544182094.db2.gz	PVRIFQUJYZSCNK-UHFFFAOYSA-N	1	0	365.437	1.308	20	30		FDEDRO
C=CCn1c([C@@H]2CCOC2)nnc1N1CC[NH+](CC2CCOCC2)CC1	ZINC000556920012	544220719	/nfs/dbraw/zinc/22/07/19/544220719.db2.gz	XXLJTAWTHBRYDC-QGZVFWFLSA-N	1	0	361.490	1.517	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1	ZINC000556970018	544226389	/nfs/dbraw/zinc/22/63/89/544226389.db2.gz	QKAHHJIHCMCVAD-CRAIPNDOSA-N	1	0	369.469	1.979	20	30		FDEDRO
C[C@H]1CC[NH2+]C[C@H]1NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000557184613	544258889	/nfs/dbraw/zinc/25/88/89/544258889.db2.gz	VXPIBCQGUPTJCH-YJNKEBTESA-N	1	0	357.458	1.940	20	30		FDEDRO
CN1CC[NH2+]C[C@@H]1CNC(=O)NCc1ccc(-c2ccccc2C#N)cc1	ZINC000557189312	544259642	/nfs/dbraw/zinc/25/96/42/544259642.db2.gz	GHNCRGARICWBIG-LJQANCHMSA-N	1	0	363.465	1.928	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2SCCc3ccccc32)CC1	ZINC000557733402	544338135	/nfs/dbraw/zinc/33/81/35/544338135.db2.gz	VUJPUEWKDPBSIJ-GOSISDBHSA-N	1	0	373.522	1.900	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@](C)(c3ccccc3)C2)CC1	ZINC000557731059	544337412	/nfs/dbraw/zinc/33/74/12/544337412.db2.gz	OETQEYHXHHISRS-OAQYLSRUSA-N	1	0	355.482	1.943	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](COC)Cc2ccccc2)CC1	ZINC000557732820	544337892	/nfs/dbraw/zinc/33/78/92/544337892.db2.gz	DHRMGMUOPBBVRK-SFHVURJKSA-N	1	0	359.470	1.127	20	30		FDEDRO
Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](N(C)CC(=O)OC(C)(C)C)C2)ccc1C#N	ZINC000558109332	544385732	/nfs/dbraw/zinc/38/57/32/544385732.db2.gz	OVUCXHCGVDGTBR-QZTJIDSGSA-N	1	0	359.470	1.685	20	30		FDEDRO
C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1	ZINC000558457121	544438003	/nfs/dbraw/zinc/43/80/03/544438003.db2.gz	RYKCILOIALDSLJ-OKZBNKHCSA-N	1	0	374.533	1.778	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC[N@H+]1CCCC[C@H]1CC	ZINC000558361397	544414911	/nfs/dbraw/zinc/41/49/11/544414911.db2.gz	PJNUIDTZTGFZRN-ZACQAIPSSA-N	1	0	351.491	1.465	20	30		FDEDRO
N#C[C@H]1CN(S(=O)(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CCO1	ZINC000558594114	544476885	/nfs/dbraw/zinc/47/68/85/544476885.db2.gz	DIBYXXYLYSAUFM-INIZCTEOSA-N	1	0	370.519	1.091	20	30		FDEDRO
CC(=O)NCC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C1CCSCC1	ZINC000558864132	544544073	/nfs/dbraw/zinc/54/40/73/544544073.db2.gz	NJSPOKYUBKWPHY-QGZVFWFLSA-N	1	0	352.504	1.129	20	30		FDEDRO
CCC(CC)[C@@H](CNC(=O)C(=O)N1CCc2ccc(C#N)cc21)[NH+](C)C	ZINC000559474608	544700440	/nfs/dbraw/zinc/70/04/40/544700440.db2.gz	VIZVAPFNJKHASK-GOSISDBHSA-N	1	0	356.470	1.930	20	30		FDEDRO
CC(=O)c1ccc(C#N)cc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1	ZINC000302089665	259038571	/nfs/dbraw/zinc/03/85/71/259038571.db2.gz	GGOSHXINLIRUKT-IBGZPJMESA-N	1	0	370.497	1.992	20	30		FDEDRO
CC[N@H+](C)C[C@@H]1CCN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)C1	ZINC000329938847	259118484	/nfs/dbraw/zinc/11/84/84/259118484.db2.gz	SRPVOYSDNREWIH-HNNXBMFYSA-N	1	0	359.474	1.871	20	30		FDEDRO
CC[C@@H]1CN([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@@H]1N1CCOCC1	ZINC000330193517	259132858	/nfs/dbraw/zinc/13/28/58/259132858.db2.gz	ALKSOZAKCMQLAX-OIISXLGYSA-N	1	0	374.510	1.768	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)C(=O)Nc1cccc(C#N)c1	ZINC000331207827	259181155	/nfs/dbraw/zinc/18/11/55/259181155.db2.gz	ZDHYPRDGOIMFFK-APHBMKBZSA-N	1	0	364.471	1.335	20	30		FDEDRO
Cc1cc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)ccc1C#N	ZINC000331280162	259184975	/nfs/dbraw/zinc/18/49/75/259184975.db2.gz	HRSYBSCCANNKLC-MRXNPFEDSA-N	1	0	351.472	1.238	20	30		FDEDRO
C[C@H]1CN(C(=O)CNc2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1	ZINC000332065442	259238520	/nfs/dbraw/zinc/23/85/20/259238520.db2.gz	ROSVSKRZTSKYHN-INIZCTEOSA-N	1	0	355.486	1.597	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1[NH+]1CCCC1	ZINC000332105145	259242069	/nfs/dbraw/zinc/24/20/69/259242069.db2.gz	ZOTGEICEYFLWFD-JKSUJKDBSA-N	1	0	351.497	1.759	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)N2CCCO[C@@H](C[NH3+])C2)c1	ZINC000332213196	259250016	/nfs/dbraw/zinc/25/00/16/259250016.db2.gz	HOLKRUAAANJWGS-LBPRGKRZSA-N	1	0	374.260	1.059	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)cc1Br	ZINC000333263986	259328021	/nfs/dbraw/zinc/32/80/21/259328021.db2.gz	JGMCJDPUBZRZNG-UHFFFAOYSA-N	1	0	370.272	1.837	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1	ZINC000333494730	259353952	/nfs/dbraw/zinc/35/39/52/259353952.db2.gz	DRPFPOYCKFTKTH-AEFFLSMTSA-N	1	0	363.483	1.774	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)C2=O)cc1	ZINC000333599133	259362111	/nfs/dbraw/zinc/36/21/11/259362111.db2.gz	PIYIYJTXAVAGPE-XSLAGTTESA-N	1	0	367.453	1.038	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)C2=O)cc1	ZINC000333667500	259367832	/nfs/dbraw/zinc/36/78/32/259367832.db2.gz	XUDAKTSIZQIKCI-SQNIBIBYSA-N	1	0	367.453	1.053	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)nc1	ZINC000333917585	259393060	/nfs/dbraw/zinc/39/30/60/259393060.db2.gz	NWBJKJMOVLVPJV-BRWVUGGUSA-N	1	0	354.458	1.173	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)nc1	ZINC000333922990	259393726	/nfs/dbraw/zinc/39/37/26/259393726.db2.gz	RWIPIQAPLZSZNN-YLFCFFPRSA-N	1	0	355.442	1.504	20	30		FDEDRO
C[N@H+](CC(=O)Nc1sccc1C#N)C1CCN(c2cnccn2)CC1	ZINC000366102554	259906985	/nfs/dbraw/zinc/90/69/85/259906985.db2.gz	GGYRKLNYDYYZOU-UHFFFAOYSA-N	1	0	356.455	1.949	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1	ZINC000366317837	259927248	/nfs/dbraw/zinc/92/72/48/259927248.db2.gz	UGQVRKIYQFXNGS-BXUZGUMPSA-N	1	0	370.272	1.693	20	30		FDEDRO
N#Cc1ccc(NC(=O)CCN2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cc1Cl	ZINC000367598656	260066950	/nfs/dbraw/zinc/06/69/50/260066950.db2.gz	FWEKGQRPYNUBAI-SWLSCSKDSA-N	1	0	367.858	1.659	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH2+]C[C@@H]3CN(C4CC4)CCO3)C2=O)cc1	ZINC000367867086	260102637	/nfs/dbraw/zinc/10/26/37/260102637.db2.gz	ANQPCLHCOSFQDN-MOPGFXCFSA-N	1	0	354.454	1.506	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@]3(C)CCO[C@H]3C3CC3)CC2)o1	ZINC000368197337	260148824	/nfs/dbraw/zinc/14/88/24/260148824.db2.gz	DEYATEYEIIMIBA-PKOBYXMFSA-N	1	0	373.457	1.051	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)s2)CCN1C1CC[NH+](C)CC1	ZINC000368524820	260195852	/nfs/dbraw/zinc/19/58/52/260195852.db2.gz	BZQWUPFENWIPDV-ZDUSSCGKSA-N	1	0	368.528	1.409	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)C[C@@H]21	ZINC000368592613	260207101	/nfs/dbraw/zinc/20/71/01/260207101.db2.gz	QQCQSZIJSBNJLI-GUYCJALGSA-N	1	0	350.426	1.492	20	30		FDEDRO
Cc1nc(C(=O)N2CCC(CC[NH+]3CCN(C)CC3)CC2)ccc1C#N	ZINC000368842277	260247254	/nfs/dbraw/zinc/24/72/54/260247254.db2.gz	AYUZWYYPJXHQDO-UHFFFAOYSA-N	1	0	355.486	1.751	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCCN(CC[NH+](C)C)CC1	ZINC000369010909	260276907	/nfs/dbraw/zinc/27/69/07/260276907.db2.gz	QJYSCIVAAOALNJ-UHFFFAOYSA-N	1	0	360.458	1.042	20	30		FDEDRO
N#Cc1cccc(/C=C/C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1	ZINC000369061082	260288909	/nfs/dbraw/zinc/28/89/09/260288909.db2.gz	DRUJXZHPKPYIGP-IPLHWJFFSA-N	1	0	352.438	1.512	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)cc1	ZINC000369181517	260308580	/nfs/dbraw/zinc/30/85/80/260308580.db2.gz	ZUJMXBNLGHTACB-MSOLQXFVSA-N	1	0	357.454	1.775	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)CN2CCC[N@@H+](C3CCOCC3)CC2)cc1	ZINC000369548287	260388763	/nfs/dbraw/zinc/38/87/63/260388763.db2.gz	IQKIFLGUYXAQHO-IBGZPJMESA-N	1	0	359.470	1.485	20	30		FDEDRO
C[C@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)C1=CC[N@H+](C)CC1	ZINC000373397627	261007470	/nfs/dbraw/zinc/00/74/70/261007470.db2.gz	DWTLYVGXGBLZDL-ZDUSSCGKSA-N	1	0	351.414	1.911	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC(n3cnc(C#N)n3)CC2)C1	ZINC000373432710	261010392	/nfs/dbraw/zinc/01/03/92/261010392.db2.gz	RIYPVUSZMZEBEI-INIZCTEOSA-N	1	0	373.505	1.864	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)s1	ZINC000373844353	261046211	/nfs/dbraw/zinc/04/62/11/261046211.db2.gz	JGVIHUUPWIMFLX-CHWSQXEVSA-N	1	0	355.485	1.230	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c(F)cc(C#N)cc2F)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000374315888	261109208	/nfs/dbraw/zinc/10/92/08/261109208.db2.gz	GJKNSFZDESUDML-CXAGYDPISA-N	1	0	362.424	1.934	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CCN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)C[C@H]21	ZINC000375033632	261253792	/nfs/dbraw/zinc/25/37/92/261253792.db2.gz	XAYATMDLOGQHLQ-MAUKXSAKSA-N	1	0	364.453	1.708	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+]C3CCN(C(=O)c4ccncc4)CC3)n2c1	ZINC000375310350	261310538	/nfs/dbraw/zinc/31/05/38/261310538.db2.gz	QFHGKEJAVLGVQE-UHFFFAOYSA-N	1	0	360.421	1.995	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCC(=O)N[C@H]1c1cncn1C	ZINC000375414003	261334569	/nfs/dbraw/zinc/33/45/69/261334569.db2.gz	YEGGVHPTDIOPDI-RHSMWYFYSA-N	1	0	352.398	1.742	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[N@@H+](C4CC4)CC3)CC2)o1	ZINC000375682821	261398667	/nfs/dbraw/zinc/39/86/67/261398667.db2.gz	LDKCHVPCBRARCO-UHFFFAOYSA-N	1	0	357.458	1.768	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCn2cnc(C#N)n2)C1	ZINC000377215845	261745852	/nfs/dbraw/zinc/74/58/52/261745852.db2.gz	FIUUYSROERKNOC-CVEARBPZSA-N	1	0	359.478	1.446	20	30		FDEDRO
N#Cc1cccc(COc2cccc(C[N@H+]3CCC[C@@](O)(C(N)=O)C3)c2)c1	ZINC000377372013	261782871	/nfs/dbraw/zinc/78/28/71/261782871.db2.gz	KTBDHZUABUUDHO-NRFANRHFSA-N	1	0	365.433	1.949	20	30		FDEDRO
CN1CC[NH+](C[C@H]2CCCN(Cc3cnc4ccc(C#N)cn34)C2)CC1	ZINC000377617638	261837402	/nfs/dbraw/zinc/83/74/02/261837402.db2.gz	AVGXEPJVFHTXSA-GOSISDBHSA-N	1	0	352.486	1.665	20	30		FDEDRO
CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H](C)n2cnc(C#N)n2)cc1	ZINC000409646585	262130534	/nfs/dbraw/zinc/13/05/34/262130534.db2.gz	ZJOBIQCHPTVTSI-OAHLLOKOSA-N	1	0	370.457	1.748	20	30		FDEDRO
N#CCCCCS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000271200672	674321566	/nfs/dbraw/zinc/32/15/66/674321566.db2.gz	IWILWJNWMPSSLA-MSOLQXFVSA-N	1	0	365.499	1.483	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(C(=O)CNc3ccc(C#N)cn3)CC2)c1	ZINC000497869890	490227220	/nfs/dbraw/zinc/22/72/20/490227220.db2.gz	ZWYXIALQENXMLK-UHFFFAOYSA-N	1	0	352.398	1.118	20	30		FDEDRO
COC(=O)c1ccc(NC(=O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)cc1	ZINC000534835226	490413729	/nfs/dbraw/zinc/41/37/29/490413729.db2.gz	KMONAUVWGCQRIR-UHFFFAOYSA-N	1	0	370.413	1.153	20	30		FDEDRO
CCC(CC)N1C[C@@H](C(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)CC1=O	ZINC000536298718	490566806	/nfs/dbraw/zinc/56/68/06/490566806.db2.gz	BZHQVRSYZAEVST-LBPRGKRZSA-N	1	0	360.462	1.409	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)nn1CCC#N	ZINC000505047946	490818013	/nfs/dbraw/zinc/81/80/13/490818013.db2.gz	KBBUTRGUXWKXLS-OAHLLOKOSA-N	1	0	360.462	1.138	20	30		FDEDRO
CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1	ZINC000542071276	490884224	/nfs/dbraw/zinc/88/42/24/490884224.db2.gz	CPOYPLLZQMFVTM-UHFFFAOYSA-N	1	0	372.404	1.278	20	30		FDEDRO
CCOCCCNC(=O)[C@H](C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000042643478	519700329	/nfs/dbraw/zinc/70/03/29/519700329.db2.gz	YZQLEORWORYZKN-SFHVURJKSA-N	1	0	372.513	1.997	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1	ZINC000068935916	521764375	/nfs/dbraw/zinc/76/43/75/521764375.db2.gz	HJKDKSKYWUWCGJ-OAHLLOKOSA-N	1	0	365.499	1.611	20	30		FDEDRO
CC[NH+](CC)CCN(Cc1ccccc1)S(=O)(=O)N(C)CCC#N	ZINC000069041510	521788362	/nfs/dbraw/zinc/78/83/62/521788362.db2.gz	XLHSCVQFFHFBGA-UHFFFAOYSA-N	1	0	352.504	1.921	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+](CCC)CC(=O)NC)c(OC)c1	ZINC000056508613	521871385	/nfs/dbraw/zinc/87/13/85/521871385.db2.gz	KRYVNYKORODLOO-MRXNPFEDSA-N	1	0	350.459	1.621	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C1CCN(C(=O)c2ccoc2)CC1	ZINC000069576471	521919005	/nfs/dbraw/zinc/91/90/05/521919005.db2.gz	VYBLFYYQWUVOBF-UHFFFAOYSA-N	1	0	360.458	1.826	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)CC1	ZINC000057128386	522009256	/nfs/dbraw/zinc/00/92/56/522009256.db2.gz	KVHWBOQNBLVRBL-HXUWFJFHSA-N	1	0	373.472	1.660	20	30		FDEDRO
C[C@@H](NC(=O)c1ccoc1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000058899045	522314305	/nfs/dbraw/zinc/31/43/05/522314305.db2.gz	BJNQZIMSLHPECJ-OAHLLOKOSA-N	1	0	368.437	1.860	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN(C)Cc2ccc(C#N)cc2)C1	ZINC000046528044	522316982	/nfs/dbraw/zinc/31/69/82/522316982.db2.gz	USRKKYKVGDYHSD-IBGZPJMESA-N	1	0	358.486	1.463	20	30		FDEDRO
C[C@H](C#N)CN(C)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000046636195	522330556	/nfs/dbraw/zinc/33/05/56/522330556.db2.gz	VGAAQLFDJWWXOR-GOSISDBHSA-N	1	0	357.502	1.995	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1	ZINC000060740097	522413950	/nfs/dbraw/zinc/41/39/50/522413950.db2.gz	NFBOCWWVSHLNNM-IRXDYDNUSA-N	1	0	363.483	1.508	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(N2CCC(O)CC2)cc1	ZINC000073078970	522461646	/nfs/dbraw/zinc/46/16/46/522461646.db2.gz	PHQOWMRRTATGCL-UHFFFAOYSA-N	1	0	358.486	1.955	20	30		FDEDRO
C[C@@H](C(=O)N1CCN(CC#N)CC1)[NH+]1CCC(Cc2ccccc2)CC1	ZINC000073099697	522466373	/nfs/dbraw/zinc/46/63/73/522466373.db2.gz	ZABLUMYUXUMMSZ-SFHVURJKSA-N	1	0	354.498	1.997	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=O)NCC2([NH+](C)C)CCOCC2)c1	ZINC000073205121	522488753	/nfs/dbraw/zinc/48/87/53/522488753.db2.gz	VOFUXOOQOXQAPL-UHFFFAOYSA-N	1	0	358.442	1.016	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCCCCNC(N)=O)CC2)cc1	ZINC000073544427	522543122	/nfs/dbraw/zinc/54/31/22/522543122.db2.gz	UJRWSEGOUHPRKE-UHFFFAOYSA-N	1	0	371.485	1.821	20	30		FDEDRO
C[NH+]=C(NCCN1CCCS1(=O)=O)N(C)Cc1ccc(Cl)cc1	ZINC000073762031	522602848	/nfs/dbraw/zinc/60/28/48/522602848.db2.gz	QVBQNTGUYVBUTB-UHFFFAOYSA-N	1	0	358.895	1.383	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(CN2C(=O)CCC2=O)cc1	ZINC000064361748	522707054	/nfs/dbraw/zinc/70/70/54/522707054.db2.gz	MGAMWVDNHKGGJJ-UHFFFAOYSA-N	1	0	370.453	1.643	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC3(CNC(=O)C3)CC2)c(OC)c1	ZINC000075012584	522865644	/nfs/dbraw/zinc/86/56/44/522865644.db2.gz	UBAXSXLVWBHGEO-KRWDZBQOSA-N	1	0	374.481	1.766	20	30		FDEDRO
CC[NH+]=C(NC[C@@](C)(O)c1ccco1)N1CCN(c2ncccn2)CC1	ZINC000075023371	522870315	/nfs/dbraw/zinc/87/03/15/522870315.db2.gz	WWXVXLIHYBRHQO-GOSISDBHSA-N	1	0	358.446	1.065	20	30		FDEDRO
C[NH+]=C(NC[C@@](C)(O)c1ccco1)N1CCN(Cc2cc(C)on2)CC1	ZINC000075077694	522873365	/nfs/dbraw/zinc/87/33/65/522873365.db2.gz	CDDJKKJUKPRWLP-GOSISDBHSA-N	1	0	361.446	1.177	20	30		FDEDRO
COCCn1cc(NC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cn1	ZINC000065987022	522931079	/nfs/dbraw/zinc/93/10/79/522931079.db2.gz	VTTBBURFVFRJGY-UHFFFAOYSA-N	1	0	370.457	1.997	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)NCC[N@@H+](C)[C@@H](C)CC)c1	ZINC000066127134	522961926	/nfs/dbraw/zinc/96/19/26/522961926.db2.gz	SZWFVGSTGPBTSP-AWEZNQCLSA-N	1	0	351.472	1.058	20	30		FDEDRO
CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C([O-])=[NH+]CCn1ccnc1	ZINC000328625038	523041581	/nfs/dbraw/zinc/04/15/81/523041581.db2.gz	KHKWDMLEGASNPX-DOTOQJQBSA-N	1	0	359.478	1.546	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CC1(c2ccc(F)cc2)CCOCC1	ZINC000066390328	523044610	/nfs/dbraw/zinc/04/46/10/523044610.db2.gz	BULCVWPLTPKTFF-AWEZNQCLSA-N	1	0	363.433	1.864	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NCC1([NH+](C)C)CCCC1	ZINC000076224319	523048044	/nfs/dbraw/zinc/04/80/44/523048044.db2.gz	DBRRFJCDUKCOSF-UHFFFAOYSA-N	1	0	361.417	1.767	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000076241456	523051928	/nfs/dbraw/zinc/05/19/28/523051928.db2.gz	GXMYEKUVARDESE-GOEBONIOSA-N	1	0	359.401	1.519	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NCC[NH+]1CCC(C)CC1	ZINC000076239169	523051956	/nfs/dbraw/zinc/05/19/56/523051956.db2.gz	RJNOTPHNIJNRFK-UHFFFAOYSA-N	1	0	361.417	1.624	20	30		FDEDRO
CCO[C@H]1CCC[N@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1	ZINC000076401394	523100172	/nfs/dbraw/zinc/10/01/72/523100172.db2.gz	LTZPBVDWUJRINU-HNNXBMFYSA-N	1	0	361.446	1.004	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1	ZINC000076575919	523139559	/nfs/dbraw/zinc/13/95/59/523139559.db2.gz	DRZGHKPTCKDNFG-ALOPSCKCSA-N	1	0	355.438	1.769	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC)C2)cc1	ZINC000076673475	523167750	/nfs/dbraw/zinc/16/77/50/523167750.db2.gz	XGFCFLHQGFYFHS-OAHLLOKOSA-N	1	0	372.469	1.341	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)CC2)c1	ZINC000076982539	523223898	/nfs/dbraw/zinc/22/38/98/523223898.db2.gz	LXWVQQHDPONWJQ-KRWDZBQOSA-N	1	0	354.458	1.269	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCC[NH+]2CCCC2)cc1	ZINC000052654450	523225943	/nfs/dbraw/zinc/22/59/43/523225943.db2.gz	AWGGXPLUFBTSQL-UHFFFAOYSA-N	1	0	358.442	1.143	20	30		FDEDRO
CCCn1c2ccccc2n(CCC(=O)NC2(C#N)CC[NH+](C)CC2)c1=O	ZINC000077038813	523239554	/nfs/dbraw/zinc/23/95/54/523239554.db2.gz	ZFIUWTOJBXPDBD-UHFFFAOYSA-N	1	0	369.469	1.707	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)CC1	ZINC000067205853	523356834	/nfs/dbraw/zinc/35/68/34/523356834.db2.gz	LWXLZMWZNLTBJP-GOSISDBHSA-N	1	0	368.481	1.912	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1	ZINC000067345527	523395439	/nfs/dbraw/zinc/39/54/39/523395439.db2.gz	BISNTXIFFQORAH-CQSZACIVSA-N	1	0	358.442	1.744	20	30		FDEDRO
CC[N@H+](CCNC(=O)C(=O)Nc1ncn(Cc2ccccc2)n1)C1CC1	ZINC000077770363	523456794	/nfs/dbraw/zinc/45/67/94/523456794.db2.gz	GWZPMKRIVRGQQV-UHFFFAOYSA-N	1	0	356.430	1.515	20	30		FDEDRO
Cn1c(N[C@@H](C[NH+]2CCCCC2)c2ccccc2)c(C#N)c(=O)n(C)c1=O	ZINC000078333961	523561721	/nfs/dbraw/zinc/56/17/21/523561721.db2.gz	VIRVDPQKBBXRQF-KRWDZBQOSA-N	1	0	367.453	1.595	20	30		FDEDRO
Cn1c(NC[C@@H](c2ccccc2)[NH+]2CCCC2)c(C#N)c(=O)n(C)c1=O	ZINC000054359378	523622696	/nfs/dbraw/zinc/62/26/96/523622696.db2.gz	DRFPYFZKIFCKTJ-INIZCTEOSA-N	1	0	353.426	1.205	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000081186989	523949959	/nfs/dbraw/zinc/94/99/59/523949959.db2.gz	FNXATHLMPSUZCA-QGZVFWFLSA-N	1	0	350.488	1.673	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(Cc3nc(C)c(C)o3)CC2)CC1	ZINC000172029878	524098072	/nfs/dbraw/zinc/09/80/72/524098072.db2.gz	VRVBVHGWQWTQTR-UHFFFAOYSA-N	1	0	361.490	1.769	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1cccc(N2CCCNC2=O)c1	ZINC000081406538	524118924	/nfs/dbraw/zinc/11/89/24/524118924.db2.gz	RWRMSKVJJLGESK-UHFFFAOYSA-N	1	0	357.458	1.914	20	30		FDEDRO
CNC(=O)[C@H](C)C[N@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000081556156	524149762	/nfs/dbraw/zinc/14/97/62/524149762.db2.gz	KIOMGEPHBIROOS-CYBMUJFWSA-N	1	0	369.387	1.487	20	30		FDEDRO
N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@@H](OCCO)C1)CCC2	ZINC000172297221	524192635	/nfs/dbraw/zinc/19/26/35/524192635.db2.gz	BGNOTMAYPJWPQQ-CYBMUJFWSA-N	1	0	363.483	1.910	20	30		FDEDRO
CCN(CCCNC(=[NH2+])N[C@H]1CCOc2ccccc21)S(C)(=O)=O	ZINC000083033047	524233550	/nfs/dbraw/zinc/23/35/50/524233550.db2.gz	QFEWBKFWTJSHSU-AWEZNQCLSA-N	1	0	354.476	1.086	20	30		FDEDRO
CNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1	ZINC000111268808	524239868	/nfs/dbraw/zinc/23/98/68/524239868.db2.gz	GEBZUWOMHRTEQJ-HOTGVXAUSA-N	1	0	372.469	1.788	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1	ZINC000157316428	524250584	/nfs/dbraw/zinc/25/05/84/524250584.db2.gz	ZTJNLKSFQPZYTM-LBPRGKRZSA-N	1	0	364.427	1.762	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CC1	ZINC000173161286	524338650	/nfs/dbraw/zinc/33/86/50/524338650.db2.gz	HFZXPEXONCRQFV-QGZVFWFLSA-N	1	0	369.465	1.662	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N2CCC([N@H+](C)CCCO)CC2)cc1	ZINC000158024873	524387111	/nfs/dbraw/zinc/38/71/11/524387111.db2.gz	PIFFGVKNUAFFNI-UHFFFAOYSA-N	1	0	374.485	1.913	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)c1cccs1	ZINC000086432266	524387301	/nfs/dbraw/zinc/38/73/01/524387301.db2.gz	IZDFKBVQYVNHTR-LBPRGKRZSA-N	1	0	360.443	1.216	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1	ZINC000148583353	524451645	/nfs/dbraw/zinc/45/16/45/524451645.db2.gz	STPAYFRKLCNRFB-UHFFFAOYSA-N	1	0	364.833	1.377	20	30		FDEDRO
CC[NH+]=C(N[C@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CCN(C(=O)c2ccco2)CC1	ZINC000089158660	524479386	/nfs/dbraw/zinc/47/93/86/524479386.db2.gz	UNNNBZPLWYNQJZ-XIRDDKMYSA-N	1	0	374.485	1.816	20	30		FDEDRO
C=CCCCCC[N@@H+](C)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21	ZINC000150893961	524500417	/nfs/dbraw/zinc/50/04/17/524500417.db2.gz	IJBNJGDGDHTAAA-UHFFFAOYSA-N	1	0	365.499	1.901	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CNC(=O)CC2CCCCC2)c1C#N	ZINC000089673913	524517818	/nfs/dbraw/zinc/51/78/18/524517818.db2.gz	HFZRFRUZIOMXKD-UHFFFAOYSA-N	1	0	360.462	1.458	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)[C@H](C)C1	ZINC000122410768	524528798	/nfs/dbraw/zinc/52/87/98/524528798.db2.gz	NHHWBZREDYLGBA-ACJLOTCBSA-N	1	0	358.486	1.985	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@H](O)COc1cccc2[nH]ccc21	ZINC000089942526	524554762	/nfs/dbraw/zinc/55/47/62/524554762.db2.gz	KRIKIRIBVIAXJQ-ZDUSSCGKSA-N	1	0	368.441	1.649	20	30		FDEDRO
Cc1nc(NC(=O)[C@H](C)[N@H+](C)CCCc2[nH]nc(N)c2C#N)sc1C	ZINC000089943694	524556859	/nfs/dbraw/zinc/55/68/59/524556859.db2.gz	FZUHBERXYMVRLK-JTQLQIEISA-N	1	0	361.475	1.829	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCc2cc(C#N)ccc2F)CC1=O	ZINC000174429984	524575618	/nfs/dbraw/zinc/57/56/18/524575618.db2.gz	KQHLCOCDIRECEC-SJORKVTESA-N	1	0	372.444	1.646	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(C)nc2c1c(=O)[nH]n2C)C(C)C	ZINC000112919927	524595776	/nfs/dbraw/zinc/59/57/76/524595776.db2.gz	LYKJAJVKMXDIQI-MRXNPFEDSA-N	1	0	371.485	1.998	20	30		FDEDRO
CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCN(CC[NH+]2CCCC2)CC1	ZINC000159168463	524607603	/nfs/dbraw/zinc/60/76/03/524607603.db2.gz	DVCLTVIOYYULSE-UHFFFAOYSA-N	1	0	370.497	1.956	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)n1	ZINC000091194220	524655903	/nfs/dbraw/zinc/65/59/03/524655903.db2.gz	GIPQKQJDQATARS-OAHLLOKOSA-N	1	0	374.489	1.902	20	30		FDEDRO
CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000151712323	524662881	/nfs/dbraw/zinc/66/28/81/524662881.db2.gz	SUGRNSOGXNNFIU-AWEZNQCLSA-N	1	0	350.394	1.109	20	30		FDEDRO
C[C@H](CC#N)NC(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1	ZINC000123094023	524678842	/nfs/dbraw/zinc/67/88/42/524678842.db2.gz	VFHOYLJZNLGZGO-OAHLLOKOSA-N	1	0	358.442	1.908	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CN(C)CCO1)N(C)Cc1cc(Br)cn1C	ZINC000159470260	524679613	/nfs/dbraw/zinc/67/96/13/524679613.db2.gz	BADIRIXFOSMUOR-AWEZNQCLSA-N	1	0	372.311	1.125	20	30		FDEDRO
C[NH+]=C(NCc1cccc(CS(C)(=O)=O)c1)N[C@@H]1C[C@H]2CC[C@@H]1O2	ZINC000159787047	524739872	/nfs/dbraw/zinc/73/98/72/524739872.db2.gz	ODEVCHNXXKBKSL-OAGGEKHMSA-N	1	0	351.472	1.216	20	30		FDEDRO
C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C#N)cc1	ZINC000123617725	524792620	/nfs/dbraw/zinc/79/26/20/524792620.db2.gz	ZOKNSHHYVVPQNG-GOSISDBHSA-N	1	0	350.422	1.786	20	30		FDEDRO
CC(C)OCC[NH+]1CCC(NC(=O)CNC(=O)c2ccc(C#N)cc2)CC1	ZINC000174980441	524819181	/nfs/dbraw/zinc/81/91/81/524819181.db2.gz	AALADBDQDKBXGJ-UHFFFAOYSA-N	1	0	372.469	1.294	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cn1	ZINC000114742328	524869760	/nfs/dbraw/zinc/86/97/60/524869760.db2.gz	DUEUBBALFXNMLL-QGZVFWFLSA-N	1	0	356.451	1.896	20	30		FDEDRO
CC(C)C(=O)N1CCC([NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000114746966	524870565	/nfs/dbraw/zinc/87/05/65/524870565.db2.gz	WXDOTVGAJMPEKW-SFHVURJKSA-N	1	0	354.454	1.900	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)CCc2ccc(F)cc2)CC1	ZINC000092617942	524899378	/nfs/dbraw/zinc/89/93/78/524899378.db2.gz	XVJHCVIYBYUUBJ-IBGZPJMESA-N	1	0	360.477	1.992	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1	ZINC000124139421	524913756	/nfs/dbraw/zinc/91/37/56/524913756.db2.gz	RFNHAHWTCJLQPO-DZGCQCFKSA-N	1	0	363.483	1.506	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000175241294	524915696	/nfs/dbraw/zinc/91/56/96/524915696.db2.gz	CKGWBZXIFWVOJH-UHFFFAOYSA-N	1	0	360.458	1.511	20	30		FDEDRO
N#Cc1ccc(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)cn1	ZINC000115052467	524939586	/nfs/dbraw/zinc/93/95/86/524939586.db2.gz	GWHNFAVIWCSHNK-MRXNPFEDSA-N	1	0	363.421	1.903	20	30		FDEDRO
COc1ccccc1OC[C@@H](C)CNC(=[NH2+])NCCCN1CCOCC1	ZINC000160764425	524965891	/nfs/dbraw/zinc/96/58/91/524965891.db2.gz	RWYOBVBBHCNTAC-INIZCTEOSA-N	1	0	364.490	1.337	20	30		FDEDRO
C[NH+]=C(NCC[C@H]1c2ccccc2NC1=O)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000175577207	524980820	/nfs/dbraw/zinc/98/08/20/524980820.db2.gz	LXZYUZRFMCLFPE-PBHICJAKSA-N	1	0	366.469	1.911	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1	ZINC000175637708	524984438	/nfs/dbraw/zinc/98/44/38/524984438.db2.gz	FGZURFNZTDDBQH-MRXNPFEDSA-N	1	0	359.474	1.755	20	30		FDEDRO
CCS(=O)(=O)CCNC(N[C@@H]1CC(C)(C)Oc2ccccc21)=[NH+]C	ZINC000160937449	525000948	/nfs/dbraw/zinc/00/09/48/525000948.db2.gz	UYWZYIBXIBKLNP-CQSZACIVSA-N	1	0	353.488	1.889	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccc(C#N)c2)[C@H](C)C1	ZINC000115592212	525031177	/nfs/dbraw/zinc/03/11/77/525031177.db2.gz	OMNLLPNXKUEYKJ-CRAIPNDOSA-N	1	0	365.499	1.974	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)N(C)CCO3)CC1	ZINC000176007070	525041133	/nfs/dbraw/zinc/04/11/33/525041133.db2.gz	IPWBQPYDWLRSQG-UHFFFAOYSA-N	1	0	372.469	1.610	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)N(C)CCO3)CC1	ZINC000176076755	525049954	/nfs/dbraw/zinc/04/99/54/525049954.db2.gz	PUSBSVLZRXZSCN-UHFFFAOYSA-N	1	0	358.442	1.220	20	30		FDEDRO
CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)c2ccc(C#N)cc2F)CC1	ZINC000161641316	525143832	/nfs/dbraw/zinc/14/38/32/525143832.db2.gz	UAGFSAXTPLVTOE-AWEZNQCLSA-N	1	0	355.435	1.068	20	30		FDEDRO
C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1	ZINC000125184559	525158518	/nfs/dbraw/zinc/15/85/18/525158518.db2.gz	PMHMPFHSWWIVMJ-RYUDHWBXSA-N	1	0	352.416	1.618	20	30		FDEDRO
N#CCCn1ccc(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)n1	ZINC000125190217	525160401	/nfs/dbraw/zinc/16/04/01/525160401.db2.gz	OKDWZQNMQATBES-HOTGVXAUSA-N	1	0	360.462	1.686	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H](Cc2ccccc2OC)C(=O)OC)CC1	ZINC000161783503	525167413	/nfs/dbraw/zinc/16/74/13/525167413.db2.gz	BINJGLYBONSCBQ-GOSISDBHSA-N	1	0	372.465	1.488	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C[NH+](C)C)ccn2)c1	ZINC000176917547	525202837	/nfs/dbraw/zinc/20/28/37/525202837.db2.gz	UNLXPPYIVAWPNX-UHFFFAOYSA-N	1	0	374.466	1.860	20	30		FDEDRO
C#CCCOc1ccc(C[NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1	ZINC000177356151	525280587	/nfs/dbraw/zinc/28/05/87/525280587.db2.gz	ZBRQFWOGYJLCSY-LJQANCHMSA-N	1	0	371.481	1.111	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCCN(c3cccc(OC)c3)C2=O)CC1	ZINC000117211687	525288536	/nfs/dbraw/zinc/28/85/36/525288536.db2.gz	JGUOCFUHISYCKS-IBGZPJMESA-N	1	0	369.465	1.652	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000103122304	525327336	/nfs/dbraw/zinc/32/73/36/525327336.db2.gz	XZPCBPRVJBNUMO-INIZCTEOSA-N	1	0	370.453	1.092	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NCc1ccccc1S(=O)(=O)NC(C)(C)C	ZINC000104179885	525397769	/nfs/dbraw/zinc/39/77/69/525397769.db2.gz	FUONLIVEKKHEGH-LBPRGKRZSA-N	1	0	356.492	1.203	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NCc1cc(Br)c(OC)c(OC)c1	ZINC000104190737	525400497	/nfs/dbraw/zinc/40/04/97/525400497.db2.gz	UBXHWPJUMQUKCZ-SECBINFHSA-N	1	0	360.252	1.906	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1	ZINC000163438425	525408327	/nfs/dbraw/zinc/40/83/27/525408327.db2.gz	GTVVVXAWVDJNAD-UHFFFAOYSA-N	1	0	369.462	1.306	20	30		FDEDRO
COc1ccccc1[C@H](CNC(=O)Cn1cnc(C#N)n1)[NH+]1CCCCC1	ZINC000178432497	525427848	/nfs/dbraw/zinc/42/78/48/525427848.db2.gz	VVLDWOCLRKDCRU-INIZCTEOSA-N	1	0	368.441	1.502	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CCC[C@@H]2NS(C)(=O)=O)cc1	ZINC000154341901	525500620	/nfs/dbraw/zinc/50/06/20/525500620.db2.gz	QZDNXZQVMRHCCS-AEFFLSMTSA-N	1	0	364.515	1.844	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(CCC)[C@@H]2CC[NH2+]C2)cc1	ZINC000178932743	525506013	/nfs/dbraw/zinc/50/60/13/525506013.db2.gz	KUNSBUQNILQRMV-OAHLLOKOSA-N	1	0	351.472	1.365	20	30		FDEDRO
CC[NH+]=C(NCc1ccc([C@H](C)O)cc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000179204279	525544001	/nfs/dbraw/zinc/54/40/01/525544001.db2.gz	OKRJPLMHJHABKU-AWEZNQCLSA-N	1	0	367.515	1.714	20	30		FDEDRO
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N(C)CC[NH+](C)C)c1C	ZINC000154796817	525643515	/nfs/dbraw/zinc/64/35/15/525643515.db2.gz	NSEHLLKONOWQOL-UHFFFAOYSA-N	1	0	368.441	1.319	20	30		FDEDRO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCN(c2cccnn2)CC1	ZINC000170649324	525656528	/nfs/dbraw/zinc/65/65/28/525656528.db2.gz	VQQJCHXGNNGTFQ-GNZRSQJKSA-N	1	0	370.501	1.918	20	30		FDEDRO
C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)C(=O)N(C)CCC#N	ZINC000180122801	525665797	/nfs/dbraw/zinc/66/57/97/525665797.db2.gz	KBWRLQMYYZGUBO-YLQAJVPDSA-N	1	0	362.861	1.962	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1	ZINC000180187111	525672905	/nfs/dbraw/zinc/67/29/05/525672905.db2.gz	OJGWTSVBBNOCRA-KRWDZBQOSA-N	1	0	360.458	1.434	20	30		FDEDRO
C=C[C@@H](C)NC(=O)C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000119233552	525679090	/nfs/dbraw/zinc/67/90/90/525679090.db2.gz	DJTQKBRUASMMKW-WBVHZDCISA-N	1	0	367.453	1.959	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@H](O)COCc1ccccc1F	ZINC000119405022	525735889	/nfs/dbraw/zinc/73/58/89/525735889.db2.gz	OSALPKKAKDGFCL-AWEZNQCLSA-N	1	0	361.421	1.445	20	30		FDEDRO
CC[C@@H](C)NC(=O)CCNC(=[NH2+])NCCc1ccc(OC)c(OC)c1	ZINC000170908260	525764692	/nfs/dbraw/zinc/76/46/92/525764692.db2.gz	CJRUAFRREQYJBA-CYBMUJFWSA-N	1	0	350.463	1.455	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(c3cccc(OCC)n3)CC2)CC1	ZINC000106706574	525773894	/nfs/dbraw/zinc/77/38/94/525773894.db2.gz	NBAOVRYWJGNFRI-UHFFFAOYSA-N	1	0	356.470	1.474	20	30		FDEDRO
C[N@H+](CCNC(=O)N1CCN(c2ccc(C#N)cn2)CC1)C1CCCC1	ZINC000170927081	525774089	/nfs/dbraw/zinc/77/40/89/525774089.db2.gz	ZJVIXOSOLVWXKQ-UHFFFAOYSA-N	1	0	356.474	1.659	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)Oc3ccc(C#N)cc3)C2)CC1	ZINC000106801975	525788689	/nfs/dbraw/zinc/78/86/89/525788689.db2.gz	DUVFMLIQFWMXAX-SJLPKXTDSA-N	1	0	356.470	1.564	20	30		FDEDRO
CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)Nc2cccc(C#N)c2)cc1	ZINC000181018801	525789412	/nfs/dbraw/zinc/78/94/12/525789412.db2.gz	BNKIZKYUKPFVSZ-ZDUSSCGKSA-N	1	0	372.450	1.756	20	30		FDEDRO
N#CCCCCNC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000170994298	525792168	/nfs/dbraw/zinc/79/21/68/525792168.db2.gz	QJARMWQQSYNUTE-SFHVURJKSA-N	1	0	371.485	1.877	20	30		FDEDRO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCO[C@H](C[NH+](C)C)C1	ZINC000155279076	525806831	/nfs/dbraw/zinc/80/68/31/525806831.db2.gz	YWTCLCKOTKLHOS-CHWSQXEVSA-N	1	0	362.499	1.698	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCOC[C@@H]2C[C@H](O)c2ccccc2)CC1	ZINC000155299163	525812486	/nfs/dbraw/zinc/81/24/86/525812486.db2.gz	NFYVCZYHARRDOM-PMACEKPBSA-N	1	0	356.466	1.683	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1	ZINC000181173339	525815245	/nfs/dbraw/zinc/81/52/45/525815245.db2.gz	MMTDSNRHMFAEAQ-RBUKOAKNSA-N	1	0	370.497	1.985	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCO[C@H](C[NH+](C)C)C1	ZINC000155311749	525819017	/nfs/dbraw/zinc/81/90/17/525819017.db2.gz	NFYRRBHERVCFGW-SWLSCSKDSA-N	1	0	350.850	1.801	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1	ZINC000181220452	525820998	/nfs/dbraw/zinc/82/09/98/525820998.db2.gz	MXGYVMRENVDCDA-UHFFFAOYSA-N	1	0	358.486	1.639	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)CNc2ccc(C#N)cc2)CC1	ZINC000107281157	525860016	/nfs/dbraw/zinc/86/00/16/525860016.db2.gz	MFFLSALIOFGVAK-LJQANCHMSA-N	1	0	355.486	1.599	20	30		FDEDRO
N#Cc1cc(F)c(C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(F)c1	ZINC000119793666	525866068	/nfs/dbraw/zinc/86/60/68/525866068.db2.gz	PILBEPQDGQCDAK-MRXNPFEDSA-N	1	0	371.387	1.985	20	30		FDEDRO
C=CCCS(=O)(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1	ZINC000119849480	525885027	/nfs/dbraw/zinc/88/50/27/525885027.db2.gz	YKGRZJKFKKKUKZ-UHFFFAOYSA-N	1	0	359.536	1.308	20	30		FDEDRO
N#Cc1ccc(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)nc1	ZINC000107552087	525894205	/nfs/dbraw/zinc/89/42/05/525894205.db2.gz	UXDIAHMVTKASLV-UHFFFAOYSA-N	1	0	363.465	1.891	20	30		FDEDRO
N#Cc1ccccc1OCC[NH+]1CCC(NC(=O)C2CCOCC2)CC1	ZINC000107685584	525906538	/nfs/dbraw/zinc/90/65/38/525906538.db2.gz	WRIAXBXZYPAEKY-UHFFFAOYSA-N	1	0	357.454	1.944	20	30		FDEDRO
CC(C)(C#N)c1ccc(NC(=O)C(=O)NCCN2CCOC(C)(C)C2)cc1	ZINC000171298106	525935322	/nfs/dbraw/zinc/93/53/22/525935322.db2.gz	LLFBHZQHBBZILD-UHFFFAOYSA-N	1	0	372.469	1.653	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN([C@@H]3CCN(c4sccc4C#N)C3=O)C2)CC1	ZINC000155683653	525946172	/nfs/dbraw/zinc/94/61/72/525946172.db2.gz	XDLADULGNXUPOI-DLBZAZTESA-N	1	0	373.526	1.437	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(S(=O)(=O)Cc3cccc(C#N)c3)CC2)c1	ZINC000108400499	525965310	/nfs/dbraw/zinc/96/53/10/525965310.db2.gz	FTORCGITVJYULH-UHFFFAOYSA-N	1	0	372.450	1.614	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2ccc(OC)c(-n3cnnn3)c2)CC1	ZINC000120164834	525981354	/nfs/dbraw/zinc/98/13/54/525981354.db2.gz	WKTHMQFZCOTUGG-UHFFFAOYSA-N	1	0	356.430	1.441	20	30		FDEDRO
CC(C)NS(=O)(=O)CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000181925419	525983368	/nfs/dbraw/zinc/98/33/68/525983368.db2.gz	KIFQSBPEHAQSOQ-UHFFFAOYSA-N	1	0	364.515	1.440	20	30		FDEDRO
CNS(=O)(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000155845256	525988787	/nfs/dbraw/zinc/98/87/87/525988787.db2.gz	FTVKERLULPRULX-ZDUSSCGKSA-N	1	0	370.862	1.164	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1	ZINC000108606549	526001726	/nfs/dbraw/zinc/00/17/26/526001726.db2.gz	CLJZWDINKPZDSB-CVEARBPZSA-N	1	0	357.454	1.874	20	30		FDEDRO
CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)CC1	ZINC000181987298	526008509	/nfs/dbraw/zinc/00/85/09/526008509.db2.gz	ZUNOJKZXQFRPDP-CQSZACIVSA-N	1	0	358.442	1.905	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1	ZINC000155975605	526022167	/nfs/dbraw/zinc/02/21/67/526022167.db2.gz	MIHATZRZATXRJV-MAUKXSAKSA-N	1	0	352.438	1.972	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)CC1	ZINC000171715157	526088942	/nfs/dbraw/zinc/08/89/42/526088942.db2.gz	KMFMQYCCMWZQBT-ZDUSSCGKSA-N	1	0	363.380	1.916	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)CC1	ZINC000171721626	526093668	/nfs/dbraw/zinc/09/36/68/526093668.db2.gz	AXVOOZSTLGZRGN-UHFFFAOYSA-N	1	0	352.438	1.672	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Cn2cnc3c4ccccc4oc3c2=O)CC1	ZINC000171722668	526094383	/nfs/dbraw/zinc/09/43/83/526094383.db2.gz	FMVYBFMPISNSJJ-UHFFFAOYSA-N	1	0	366.421	1.909	20	30		FDEDRO
CS(=O)(=O)N1CC[C@H](CNC(=[NH2+])Nc2cccc3c2CCCC3)C1	ZINC000133833651	526100110	/nfs/dbraw/zinc/10/01/10/526100110.db2.gz	PYVINPLEKOUURJ-CYBMUJFWSA-N	1	0	350.488	1.574	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NC[C@@H](O)c3ccccc3)=[NH+]C[C@@H]2C1	ZINC000133858390	526101868	/nfs/dbraw/zinc/10/18/68/526101868.db2.gz	BJLWRLGZPNHRIC-HZPDHXFCSA-N	1	0	360.458	1.601	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(Cc1ccc(C#N)cc1)C1CC1	ZINC000171750982	526108991	/nfs/dbraw/zinc/10/89/91/526108991.db2.gz	HXOONXWBWSCIPC-MRXNPFEDSA-N	1	0	355.486	1.868	20	30		FDEDRO
C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)NCCCCC#N)CC1	ZINC000171760655	526110507	/nfs/dbraw/zinc/11/05/07/526110507.db2.gz	JLLDCNOKDFVBCV-UHFFFAOYSA-N	1	0	365.522	1.806	20	30		FDEDRO
COC1CC[NH+](CCNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1	ZINC000156392537	526125989	/nfs/dbraw/zinc/12/59/89/526125989.db2.gz	GCHBEDVIDOWNEB-UHFFFAOYSA-N	1	0	364.833	1.377	20	30		FDEDRO
C[NH+]=C(NCC(=O)NC(C)C)N[C@H]1CCN(c2cccc(Cl)c2)C1	ZINC000156391277	526126053	/nfs/dbraw/zinc/12/60/53/526126053.db2.gz	WXBJWNAHRCTQMQ-AWEZNQCLSA-N	1	0	351.882	1.608	20	30		FDEDRO
Cc1nc(C(=O)N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)ccc1C#N	ZINC000171815332	526133012	/nfs/dbraw/zinc/13/30/12/526133012.db2.gz	SUGUIWAWAKIOKF-GOSISDBHSA-N	1	0	371.485	1.129	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(CCC(=O)Nc2cccc(C#N)c2)CC1	ZINC000171932601	526185179	/nfs/dbraw/zinc/18/51/79/526185179.db2.gz	NAVWZEWEJUZXSQ-FQEVSTJZSA-N	1	0	369.513	1.989	20	30		FDEDRO
O=C(NCCNC(=O)C1N=CC=CC1=O)c1cccc(C[NH+]2CCCC2)c1	ZINC000109927237	526206846	/nfs/dbraw/zinc/20/68/46/526206846.db2.gz	NKFHXNPQTJGDBB-ZZEZOPTASA-N	1	0	368.437	1.539	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1	ZINC000183164578	535932407	/nfs/dbraw/zinc/93/24/07/535932407.db2.gz	JBFFDARJLVLTBN-LLVKDONJSA-N	1	0	373.379	1.939	20	30		FDEDRO
COC[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C1CC1	ZINC000183442720	535982662	/nfs/dbraw/zinc/98/26/62/535982662.db2.gz	UBOLVDKQVBRUMP-RBUKOAKNSA-N	1	0	374.460	1.549	20	30		FDEDRO
C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)Cc1cccc(C#N)c1	ZINC000185336942	536205842	/nfs/dbraw/zinc/20/58/42/536205842.db2.gz	KRQPZLWZKCNEKU-HNNXBMFYSA-N	1	0	350.488	1.004	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCCCC1	ZINC000185489270	536209993	/nfs/dbraw/zinc/20/99/93/536209993.db2.gz	KIMARHLLGYHQAQ-CQSZACIVSA-N	1	0	351.472	1.967	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N(CC[NH+](C)C)Cc1ccccn1	ZINC000185603460	536213364	/nfs/dbraw/zinc/21/33/64/536213364.db2.gz	YWLONIZTAZBFQL-UHFFFAOYSA-N	1	0	374.466	1.714	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)C2)CC1	ZINC000186698887	536241744	/nfs/dbraw/zinc/24/17/44/536241744.db2.gz	WCCSTTICIHUKMH-IBGZPJMESA-N	1	0	352.482	1.828	20	30		FDEDRO
N#Cc1ccccc1Cn1cccc1C[NH2+]CC1(C(N)=O)CCOCC1	ZINC000187660485	536271028	/nfs/dbraw/zinc/27/10/28/536271028.db2.gz	DTYYCKSOTRSYPI-UHFFFAOYSA-N	1	0	352.438	1.780	20	30		FDEDRO
CC[NH+]=C(NCc1sc(C)nc1C)NC[C@@H]1CCc2nnc(C)n2C1	ZINC000262797493	536903664	/nfs/dbraw/zinc/90/36/64/536903664.db2.gz	PUFXQHVRFQNUAC-AWEZNQCLSA-N	1	0	361.519	1.978	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)NC[C@](C)(O)c1cc(C)oc1C	ZINC000262800542	536904718	/nfs/dbraw/zinc/90/47/18/536904718.db2.gz	QTGALPJGBXTNHI-KXBFYZLASA-N	1	0	374.489	1.431	20	30		FDEDRO
CNC(=O)[C@H](C)C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC	ZINC000246273790	536915093	/nfs/dbraw/zinc/91/50/93/536915093.db2.gz	WEPPVRGVGYVXMN-HUUCEWRRSA-N	1	0	360.458	1.644	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@@H](N2CC[C@@H](C[NH+]3CCOCC3)C2)C1=O	ZINC000246596510	536988569	/nfs/dbraw/zinc/98/85/69/536988569.db2.gz	XDNURKRBIZZDLR-GOEBONIOSA-N	1	0	360.483	1.379	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](CN2CCOCC2)C1	ZINC000246641085	536994666	/nfs/dbraw/zinc/99/46/66/536994666.db2.gz	PMMKPJNYIRUBMP-MSOLQXFVSA-N	1	0	362.518	1.762	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCc3cccc(C(N)=O)c3)=[NH+]C[C@@H]2C1	ZINC000268058329	537009289	/nfs/dbraw/zinc/00/92/89/537009289.db2.gz	CCFDGNPLDCLHPS-OAHLLOKOSA-N	1	0	373.457	1.166	20	30		FDEDRO
N#C[C@H]1CN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCN1Cc1ccccc1	ZINC000246843641	537037431	/nfs/dbraw/zinc/03/74/31/537037431.db2.gz	YXHJPGDOEUGOGW-QUCCMNQESA-N	1	0	367.497	1.890	20	30		FDEDRO
CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1	ZINC000246988982	537063940	/nfs/dbraw/zinc/06/39/40/537063940.db2.gz	GMUJZOLVSIYLGK-HLLBOEOZSA-N	1	0	371.489	1.297	20	30		FDEDRO
CC1CCN(C(=[NH2+])NCc2cccnc2N2CCC(C(N)=O)CC2)CC1	ZINC000264153765	537138390	/nfs/dbraw/zinc/13/83/90/537138390.db2.gz	ADPYBJJBUOPALL-UHFFFAOYSA-N	1	0	358.490	1.330	20	30		FDEDRO
COC(=O)CCCc1nc(CO[NH+]=C(N)c2ccc(N(C)C)cc2)no1	ZINC000264705834	537147929	/nfs/dbraw/zinc/14/79/29/537147929.db2.gz	KVIZSCUMFWMWEG-UHFFFAOYSA-N	1	0	361.402	1.468	20	30		FDEDRO
C#CCNC(=O)c1ccc(NCc2ccc(N3CC[NH+](C)CC3)nc2)nc1	ZINC000264907759	537150366	/nfs/dbraw/zinc/15/03/66/537150366.db2.gz	SQANLMBKDWBSRU-UHFFFAOYSA-N	1	0	364.453	1.204	20	30		FDEDRO
CNS(=O)(=O)CC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1	ZINC000190302173	537162941	/nfs/dbraw/zinc/16/29/41/537162941.db2.gz	RYNCOJSDFJEWIK-UHFFFAOYSA-N	1	0	359.451	1.776	20	30		FDEDRO
C#CCN(CC#C)C(=O)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1	ZINC000190437785	537173233	/nfs/dbraw/zinc/17/32/33/537173233.db2.gz	USKNKNVBUFHLJF-UHFFFAOYSA-N	1	0	355.438	1.441	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1	ZINC000248481635	537187110	/nfs/dbraw/zinc/18/71/10/537187110.db2.gz	BJBNWVSVIIUEHV-CRAIPNDOSA-N	1	0	359.470	1.910	20	30		FDEDRO
C[C@H](O)[C@@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1	ZINC000248537541	537190559	/nfs/dbraw/zinc/19/05/59/537190559.db2.gz	HHJLLEROVURMSP-ARFHVFGLSA-N	1	0	362.499	1.160	20	30		FDEDRO
N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1	ZINC000248928174	537221580	/nfs/dbraw/zinc/22/15/80/537221580.db2.gz	XLTBGMWGNLPOEW-KURKYZTESA-N	1	0	370.501	1.954	20	30		FDEDRO
CC(C)[N@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000192325507	537223138	/nfs/dbraw/zinc/22/31/38/537223138.db2.gz	XTRGMZPDEWQXPK-KRWDZBQOSA-N	1	0	357.458	1.299	20	30		FDEDRO
O=C1[C@H]([N+]23CCN(CC2)CC3)CCN1c1cccc(Br)c1	ZINC000192398548	537223888	/nfs/dbraw/zinc/22/38/88/537223888.db2.gz	LJKNYHXFQMNGSB-OAHLLOKOSA-N	1	0	351.268	1.700	20	30		FDEDRO
[NH2+]=C(NCc1ccccc1-n1cccn1)N1CCN(c2ncccn2)CC1	ZINC000261797177	537253134	/nfs/dbraw/zinc/25/31/34/537253134.db2.gz	IPOZHVSBECVIKY-UHFFFAOYSA-N	1	0	362.441	1.299	20	30		FDEDRO
C[NH+]=C(NCc1nccn1C(F)F)N1CCO[C@@H](c2cnn(C)c2)C1	ZINC000261798122	537253228	/nfs/dbraw/zinc/25/32/28/537253228.db2.gz	RCSHEHRXZHACGG-GFCCVEGCSA-N	1	0	353.377	1.161	20	30		FDEDRO
CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000290129681	537262202	/nfs/dbraw/zinc/26/22/02/537262202.db2.gz	ZKIXPDBMWTYPAY-JKSUJKDBSA-N	1	0	351.472	1.910	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1	ZINC000282220179	537269950	/nfs/dbraw/zinc/26/99/50/537269950.db2.gz	ALERBBKTHXSATQ-RYQLBKOJSA-N	1	0	362.499	1.529	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)CN2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)cc1	ZINC000363675507	537274481	/nfs/dbraw/zinc/27/44/81/537274481.db2.gz	XSQKCPKOVJTTBO-GBESFXJTSA-N	1	0	359.470	1.219	20	30		FDEDRO
C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1sccc1C#N	ZINC000293005632	537284669	/nfs/dbraw/zinc/28/46/69/537284669.db2.gz	GOMIRIBPAHHUTA-OAHLLOKOSA-N	1	0	356.451	1.847	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1	ZINC000333548075	537349318	/nfs/dbraw/zinc/34/93/18/537349318.db2.gz	UBEUTODRQJHOHB-MRXNPFEDSA-N	1	0	357.454	1.678	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N(CC[NH+](C)C)Cc1ccccc1F	ZINC000283087923	537351103	/nfs/dbraw/zinc/35/11/03/537351103.db2.gz	WGDZOKJINBXQNB-AWEZNQCLSA-N	1	0	356.467	1.668	20	30		FDEDRO
C[N@H+](C[C@@H](O)COc1cc(C#N)ccc1I)C1CC1	ZINC000290503758	537364410	/nfs/dbraw/zinc/36/44/10/537364410.db2.gz	AXLRMKYJGPJAQA-GFCCVEGCSA-N	1	0	372.206	1.997	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+](C[C@@H](C)O)[C@@H](C)CO)c(OC)c1	ZINC000276256968	537370325	/nfs/dbraw/zinc/37/03/25/537370325.db2.gz	XHFZFVMLXWODED-ZMSDIMECSA-N	1	0	353.459	1.227	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1cnc(C(=O)OC(C)(C)C)cn1	ZINC000283594085	537382986	/nfs/dbraw/zinc/38/29/86/537382986.db2.gz	XPXCOGMFUGHRPU-UHFFFAOYSA-N	1	0	361.446	1.739	20	30		FDEDRO
Cn1nnc2c1C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)CC2	ZINC000290683035	537388936	/nfs/dbraw/zinc/38/89/36/537388936.db2.gz	IESRYPRJCVPIAP-KRWDZBQOSA-N	1	0	366.469	1.382	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCN(CC)c2ccccc2C)CC1	ZINC000283923321	537391636	/nfs/dbraw/zinc/39/16/36/537391636.db2.gz	DVZYOOBJYWDAKN-UHFFFAOYSA-N	1	0	372.513	1.704	20	30		FDEDRO
C[C@@H]1CN(CC[N@H+](C)CCC(=O)Nc2sccc2C#N)C[C@H](C)O1	ZINC000195303415	537392898	/nfs/dbraw/zinc/39/28/98/537392898.db2.gz	HCTOGHMPNXDHET-OKILXGFUSA-N	1	0	350.488	1.989	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1	ZINC000283981662	537399103	/nfs/dbraw/zinc/39/91/03/537399103.db2.gz	GXBUSQCYWPADFV-UHFFFAOYSA-N	1	0	371.481	1.858	20	30		FDEDRO
CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cc1C#N	ZINC000365042173	537416865	/nfs/dbraw/zinc/41/68/65/537416865.db2.gz	IZPGUCJNXLKMSD-IBGZPJMESA-N	1	0	367.409	1.935	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(-c2ccnc(C)n2)c1	ZINC000293333343	537417268	/nfs/dbraw/zinc/41/72/68/537417268.db2.gz	JQNGOHFOJGJTOF-UHFFFAOYSA-N	1	0	365.437	1.462	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](C)C[NH+]2CCCC2)c1	ZINC000299045825	537420367	/nfs/dbraw/zinc/42/03/67/537420367.db2.gz	GWVZQJFLXGJPTF-HNNXBMFYSA-N	1	0	365.499	1.613	20	30		FDEDRO
CN(C(=[NH2+])NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)C1CC1	ZINC000273335691	537433279	/nfs/dbraw/zinc/43/32/79/537433279.db2.gz	KXHYZEAJOCCINK-OAHLLOKOSA-N	1	0	366.487	1.053	20	30		FDEDRO
CN(c1ccc([N+](=O)[O-])cc1C#N)C1CC[NH+](CC(=O)N2CCCC2)CC1	ZINC000365187836	537450042	/nfs/dbraw/zinc/45/00/42/537450042.db2.gz	OHGDWEHVKRRHCA-UHFFFAOYSA-N	1	0	371.441	1.989	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(OC)c2ncccc12	ZINC000293485170	537481435	/nfs/dbraw/zinc/48/14/35/537481435.db2.gz	VXYXETJRHWWFMC-UHFFFAOYSA-N	1	0	354.410	1.253	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(C)cnc1Br	ZINC000293498944	537488335	/nfs/dbraw/zinc/48/83/35/537488335.db2.gz	WYIJXBUSXWIVQR-UHFFFAOYSA-N	1	0	367.247	1.162	20	30		FDEDRO
COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1	ZINC000299230981	537493799	/nfs/dbraw/zinc/49/37/99/537493799.db2.gz	PODTXBSSCBAWRT-WBVHZDCISA-N	1	0	372.469	1.750	20	30		FDEDRO
COC(=O)C1CC[NH+](CCCNC(=O)c2ccccc2OCC#N)CC1	ZINC000299233447	537495543	/nfs/dbraw/zinc/49/55/43/537495543.db2.gz	GAJZDAWIQYBRDP-UHFFFAOYSA-N	1	0	359.426	1.594	20	30		FDEDRO
CC[NH+]1CCN(CCNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000288536839	537516950	/nfs/dbraw/zinc/51/69/50/537516950.db2.gz	SEHUIZKGINEUNB-QGZVFWFLSA-N	1	0	373.476	1.277	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1	ZINC000274573021	537527806	/nfs/dbraw/zinc/52/78/06/537527806.db2.gz	BIQZLGYCCYGULK-OAHLLOKOSA-N	1	0	362.449	1.985	20	30		FDEDRO
C#Cc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	ZINC000289516966	537574257	/nfs/dbraw/zinc/57/42/57/537574257.db2.gz	AZYQXRFDVUAYTD-UHFFFAOYSA-N	1	0	370.474	1.979	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)ccc1F	ZINC000360399563	537586563	/nfs/dbraw/zinc/58/65/63/537586563.db2.gz	CPTCWUNOMUUQML-HUUCEWRRSA-N	1	0	367.446	1.307	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCNC(=O)C(C)(C)C)=[NH+]C[C@@H]2C1	ZINC000304989565	537599293	/nfs/dbraw/zinc/59/92/93/537599293.db2.gz	CMZJAPWWWWNERH-CYBMUJFWSA-N	1	0	367.494	1.029	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)C(=O)CCO2	ZINC000365916514	537603524	/nfs/dbraw/zinc/60/35/24/537603524.db2.gz	XJFNPXFJDXKAMJ-UHFFFAOYSA-N	1	0	372.425	1.284	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1	ZINC000237092078	537610990	/nfs/dbraw/zinc/61/09/90/537610990.db2.gz	QVLJSXICSGHTDR-PAJRMSSHSA-N	1	0	364.471	1.565	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCN(c3ccccc3)C2)CC1	ZINC000285118127	537617777	/nfs/dbraw/zinc/61/77/77/537617777.db2.gz	KZNSJAUQDAYLKN-KRWDZBQOSA-N	1	0	370.497	1.396	20	30		FDEDRO
CN1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H]1c1nc(C2CC2)no1	ZINC000329028720	537633564	/nfs/dbraw/zinc/63/35/64/537633564.db2.gz	KODLJIYVVAIYMZ-BBRMVZONSA-N	1	0	374.489	1.634	20	30		FDEDRO
C[C@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)N1C[C@H]2OCCN(C)[C@H]2C1	ZINC000329831818	537643151	/nfs/dbraw/zinc/64/31/51/537643151.db2.gz	KFKIBGFFTFKSAQ-IFUGULHKSA-N	1	0	369.368	1.999	20	30		FDEDRO
CO[C@@H]1CC[C@H](NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)C1	ZINC000329918980	537645956	/nfs/dbraw/zinc/64/59/56/537645956.db2.gz	CZPDZNUWYBAPQZ-YHUYYLMFSA-N	1	0	353.442	1.404	20	30		FDEDRO
CN1C[C@H](NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2cccs2)CCC1=O	ZINC000329923028	537646472	/nfs/dbraw/zinc/64/64/72/537646472.db2.gz	UFONNZHLCRGZDP-MJBXVCDLSA-N	1	0	368.478	1.785	20	30		FDEDRO
C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)CCc2cnccn2)CC1	ZINC000330008863	537649270	/nfs/dbraw/zinc/64/92/70/537649270.db2.gz	FTYGYJDBDWXDBH-OAHLLOKOSA-N	1	0	359.474	1.841	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCC2CCN(C(=O)N[C@@H]3CC[S@](=O)C3)CC2)C[C@H](C)O1	ZINC000330029554	537650573	/nfs/dbraw/zinc/65/05/73/537650573.db2.gz	QFOVFWAEFPPTHA-BPCAQTKCSA-N	1	0	371.547	1.633	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CC[S@@](=O)c1ccc2c(c1)OCCO2	ZINC000294077861	537652845	/nfs/dbraw/zinc/65/28/45/537652845.db2.gz	WKRZWMGSCABRRY-RUZDIDTESA-N	1	0	364.467	1.027	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Cc1c(C)nc(-c2ccncc2)[nH]c1=O	ZINC000294082662	537653700	/nfs/dbraw/zinc/65/37/00/537653700.db2.gz	WUBKQUFRWLHVDP-UHFFFAOYSA-N	1	0	353.426	1.166	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2csc(S(N)(=O)=O)c2)C1	ZINC000330669337	537659595	/nfs/dbraw/zinc/65/95/95/537659595.db2.gz	YJLWDLBLJIJLRQ-GFCCVEGCSA-N	1	0	361.489	1.057	20	30		FDEDRO
COC(=O)[C@@H](c1cccc(C#N)c1)N(C)CC[N@H+](C)C1CCN(C)CC1	ZINC000245662137	537661414	/nfs/dbraw/zinc/66/14/14/537661414.db2.gz	GDUROMDONZIGNO-LJQANCHMSA-N	1	0	358.486	1.730	20	30		FDEDRO
CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCS(=O)(=O)N(CC)CC	ZINC000330939006	537662515	/nfs/dbraw/zinc/66/25/15/537662515.db2.gz	VZFAWCZXDXXMDZ-HUUCEWRRSA-N	1	0	360.524	1.131	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](C)C[N@H+](C)C(C)C	ZINC000291811762	537679055	/nfs/dbraw/zinc/67/90/55/537679055.db2.gz	HOGPPNAFMVHBRL-CYBMUJFWSA-N	1	0	356.474	1.995	20	30		FDEDRO
CCN(CCC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)S(C)(=O)=O	ZINC000285511891	537723485	/nfs/dbraw/zinc/72/34/85/537723485.db2.gz	ARNVRFIWRMDIRD-UHFFFAOYSA-N	1	0	364.515	1.788	20	30		FDEDRO
Cn1nccc1C1=CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000285517282	537725240	/nfs/dbraw/zinc/72/52/40/537725240.db2.gz	GKBNLNNIWWRWPP-UHFFFAOYSA-N	1	0	356.451	1.855	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)CC1	ZINC000285638452	537740220	/nfs/dbraw/zinc/74/02/20/537740220.db2.gz	FSVLOCSHDOUCLA-UHFFFAOYSA-N	1	0	370.497	1.452	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(C#N)(c2ccccn2)CC1	ZINC000376507999	537849830	/nfs/dbraw/zinc/84/98/30/537849830.db2.gz	YMMBLAYGRVXBQH-KRWDZBQOSA-N	1	0	371.485	1.759	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@](C(N)=O)(c2ccccc2)C1	ZINC000411974011	537918787	/nfs/dbraw/zinc/91/87/87/537918787.db2.gz	XYMIMTVXCFLGFI-CDHQVMDDSA-N	1	0	356.470	1.558	20	30		FDEDRO
C[NH+](C)[C@@]1(C(=O)N2CCN(c3ncccc3C#N)CC2)CCCSC1	ZINC000372313478	537919828	/nfs/dbraw/zinc/91/98/28/537919828.db2.gz	NIFZGIFGZXTMJB-SFHVURJKSA-N	1	0	359.499	1.429	20	30		FDEDRO
CNC(=O)NC1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000412057893	537942347	/nfs/dbraw/zinc/94/23/47/537942347.db2.gz	ZFGITDYLEVKYCL-UHFFFAOYSA-N	1	0	363.849	1.934	20	30		FDEDRO
COC(=O)[C@H]1CSCC[N@H+](CCC(=O)Nc2sccc2C#N)C1	ZINC000412087152	537950149	/nfs/dbraw/zinc/95/01/49/537950149.db2.gz	NVSONKWVPBQKCH-GFCCVEGCSA-N	1	0	353.469	1.786	20	30		FDEDRO
N#CC1(c2ccc(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)cc2)CC1	ZINC000367693755	537967986	/nfs/dbraw/zinc/96/79/86/537967986.db2.gz	LGIYBELZQICNAN-LJQANCHMSA-N	1	0	368.481	1.378	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH+]2CCC(N3CCN(C)CC3=O)CC2)cc1	ZINC000367879978	537969949	/nfs/dbraw/zinc/96/99/49/537969949.db2.gz	RMJPCVWTZILJNZ-UHFFFAOYSA-N	1	0	369.513	1.775	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[NH2+]CC1	ZINC000415286415	537991119	/nfs/dbraw/zinc/99/11/19/537991119.db2.gz	UETUNXYURDWNQG-UHFFFAOYSA-N	1	0	368.231	1.384	20	30		FDEDRO
CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@H+](CCC(=O)N(C)CCC#N)C1	ZINC000369044417	537997300	/nfs/dbraw/zinc/99/73/00/537997300.db2.gz	FDIBMNPWEJQTOV-AWEZNQCLSA-N	1	0	360.462	1.053	20	30		FDEDRO
C[C@H](NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H]1CCC[NH2+]C1	ZINC000415347461	538018126	/nfs/dbraw/zinc/01/81/26/538018126.db2.gz	DKXALHOQKGRNDW-JQWIXIFHSA-N	1	0	366.368	1.602	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NCC2([NH3+])CCC2)ccc1OCC(F)(F)F	ZINC000415553120	538077001	/nfs/dbraw/zinc/07/70/01/538077001.db2.gz	BCOSLWAAFRXFPO-UHFFFAOYSA-N	1	0	370.331	1.435	20	30		FDEDRO
C[C@@]1(CNC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CCC[NH2+]C1	ZINC000415589974	538079811	/nfs/dbraw/zinc/07/98/11/538079811.db2.gz	ZMVAJHVMPZCTMC-QGZVFWFLSA-N	1	0	366.368	1.604	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCC(=O)Nc1cccc(C#N)c1	ZINC000369961666	538082509	/nfs/dbraw/zinc/08/25/09/538082509.db2.gz	LNNGSTBBZPIBOP-AYOQOUSVSA-N	1	0	356.470	1.976	20	30		FDEDRO
N#Cc1nc(-c2ccco2)oc1N1CC[NH+](C[C@H]2CCNC(=O)CC2)CC1	ZINC000450517590	538135980	/nfs/dbraw/zinc/13/59/80/538135980.db2.gz	NWWHCUFRBREIGE-CQSZACIVSA-N	1	0	369.425	1.845	20	30		FDEDRO
C[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)[C@@H]1C[NH3+]	ZINC000423738478	538154076	/nfs/dbraw/zinc/15/40/76/538154076.db2.gz	QSNVYJUWVDYCPM-ZTFGCOKTSA-N	1	0	370.453	1.044	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C	ZINC000422099634	538155988	/nfs/dbraw/zinc/15/59/88/538155988.db2.gz	KSOZESFXLIAOOI-GOSISDBHSA-N	1	0	356.470	1.849	20	30		FDEDRO
Cc1nc(C(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)ccc1C#N	ZINC000444545156	538174514	/nfs/dbraw/zinc/17/45/14/538174514.db2.gz	GPHSZUJALKYSID-INIZCTEOSA-N	1	0	354.410	1.815	20	30		FDEDRO
C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)NCC(C)(C)CC#N)C1	ZINC000422262930	538195760	/nfs/dbraw/zinc/19/57/60/538195760.db2.gz	RVRQASBQAWDMNF-RDJZCZTQSA-N	1	0	356.470	1.994	20	30		FDEDRO
N#Cc1cccc([C@H]2CN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)CCO2)c1	ZINC000420091521	538214854	/nfs/dbraw/zinc/21/48/54/538214854.db2.gz	UVPBIBDXDRZTBR-QZTJIDSGSA-N	1	0	370.453	1.092	20	30		FDEDRO
C=CCNc1ncc(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)s1	ZINC000433213644	538215553	/nfs/dbraw/zinc/21/55/53/538215553.db2.gz	FNOACHNLCZWVCN-UHFFFAOYSA-N	1	0	356.495	2.570	20	30		FDEDRO
Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)[C@@H]([NH3+])CCCC#N)c1C	ZINC000424071269	538230154	/nfs/dbraw/zinc/23/01/54/538230154.db2.gz	ZFSGTTPEXDDGSS-AWEZNQCLSA-N	1	0	352.460	1.513	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1	ZINC000424115355	538238494	/nfs/dbraw/zinc/23/84/94/538238494.db2.gz	UWCKEDCRMPMLQK-OAHLLOKOSA-N	1	0	353.426	1.473	20	30		FDEDRO
COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)[C@@H]([NH3+])CCCC#N)C2=O)c1	ZINC000424118025	538240161	/nfs/dbraw/zinc/24/01/61/538240161.db2.gz	CAQZGLMPMURQJO-DLBZAZTESA-N	1	0	374.441	1.289	20	30		FDEDRO
COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])CCCC#N	ZINC000424124064	538241496	/nfs/dbraw/zinc/24/14/96/538241496.db2.gz	LRRGMGUYYRMIRO-ZBFHGGJFSA-N	1	0	358.442	1.954	20	30		FDEDRO
C=CCn1c([C@@H]2CCCS2)nnc1N1CCN(CC(=O)NCC)CC1	ZINC000424128563	538242974	/nfs/dbraw/zinc/24/29/74/538242974.db2.gz	RNSDZKIJXVKQAK-AWEZNQCLSA-N	1	0	364.519	1.290	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)C[C@@H]1[NH+]1CCCC1	ZINC000445743295	538254031	/nfs/dbraw/zinc/25/40/31/538254031.db2.gz	QQMGFWFXYLBXAR-GJZGRUSLSA-N	1	0	357.545	1.912	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1	ZINC000420413496	538289222	/nfs/dbraw/zinc/28/92/22/538289222.db2.gz	CRWNVSGGEUNBKB-ONGXEEELSA-N	1	0	358.261	1.679	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2cccnc2C#N)C1	ZINC000428382782	538291114	/nfs/dbraw/zinc/29/11/14/538291114.db2.gz	SGMYUBBILURCHT-CQSZACIVSA-N	1	0	352.460	1.075	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NCc1ccccc1CN1CCOCC1	ZINC000451673054	538297391	/nfs/dbraw/zinc/29/73/91/538297391.db2.gz	JZXAMAZCOQBFJA-UXHICEINSA-N	1	0	373.497	1.458	20	30		FDEDRO
C[NH+](C)CCCC(C)(C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000451895266	538333449	/nfs/dbraw/zinc/33/34/49/538333449.db2.gz	SYQBOFNBEZCGOO-UHFFFAOYSA-N	1	0	354.432	1.865	20	30		FDEDRO
C=CCCn1cc(C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)nn1	ZINC000424631543	538335043	/nfs/dbraw/zinc/33/50/43/538335043.db2.gz	VSUVPDMTJGMUCR-UHFFFAOYSA-N	1	0	370.413	1.576	20	30		FDEDRO
CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)CC2(C#N)CCCC2)CC1	ZINC000452050608	538355449	/nfs/dbraw/zinc/35/54/49/538355449.db2.gz	RLRIQVLMVGXEQP-UHFFFAOYSA-N	1	0	356.536	1.406	20	30		FDEDRO
C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@H](C#N)C1	ZINC000420971669	538368546	/nfs/dbraw/zinc/36/85/46/538368546.db2.gz	IQDHBODZJHCFDX-GXTWGEPZSA-N	1	0	352.416	1.497	20	30		FDEDRO
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO	ZINC000452369927	538383487	/nfs/dbraw/zinc/38/34/87/538383487.db2.gz	FGDBCBNETGKHQA-KSSFIOAISA-N	1	0	353.463	1.211	20	30		FDEDRO
C=CCN(C(=O)C[C@H]1C[NH2+]CCO1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000430528286	538388935	/nfs/dbraw/zinc/38/89/35/538388935.db2.gz	XMAXPTGPISDCNC-PBHICJAKSA-N	1	0	356.430	1.116	20	30		FDEDRO
C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1	ZINC000423525375	538398789	/nfs/dbraw/zinc/39/87/89/538398789.db2.gz	KLJKCBRLJXNIGC-KFKAGJAMSA-N	1	0	368.481	1.871	20	30		FDEDRO
C[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1	ZINC000423526479	538399385	/nfs/dbraw/zinc/39/93/85/538399385.db2.gz	LIATVTUKXYWESC-MOPGFXCFSA-N	1	0	368.481	1.743	20	30		FDEDRO
C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1	ZINC000448763953	538411628	/nfs/dbraw/zinc/41/16/28/538411628.db2.gz	PYDZZHSVGFQLNS-OCCSQVGLSA-N	1	0	360.845	1.632	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1	ZINC000438456103	538424278	/nfs/dbraw/zinc/42/42/78/538424278.db2.gz	PKBKSPQZTQCXPG-SJORKVTESA-N	1	0	352.523	1.683	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CCCO)c1	ZINC000453810887	538458063	/nfs/dbraw/zinc/45/80/63/538458063.db2.gz	YJGACAITGZKPJP-MRXNPFEDSA-N	1	0	361.442	1.153	20	30		FDEDRO
CC[NH+]1CCN(CC(C)(C)NC(=O)[C@H](C)Oc2ccccc2C#N)CC1	ZINC000456898996	538459040	/nfs/dbraw/zinc/45/90/40/538459040.db2.gz	MLJFJGIHSSQBOL-INIZCTEOSA-N	1	0	358.486	1.858	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC([C@@H](C)NC(C)=O)CC2)CC1	ZINC000476940714	538573611	/nfs/dbraw/zinc/57/36/11/538573611.db2.gz	OJNNUVQNKQZNJS-OAHLLOKOSA-N	1	0	350.507	1.973	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1	ZINC000495289056	538652011	/nfs/dbraw/zinc/65/20/11/538652011.db2.gz	QZDYAVABOMDBQE-HNNXBMFYSA-N	1	0	356.426	1.592	20	30		FDEDRO
COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)[C@H](C)n2cnc(C#N)n2)cc1	ZINC000467502240	538653756	/nfs/dbraw/zinc/65/37/56/538653756.db2.gz	BXQOENFNYBKZIV-WMLDXEAASA-N	1	0	368.441	1.673	20	30		FDEDRO
C[C@]1(CO)CCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000472611321	538669251	/nfs/dbraw/zinc/66/92/51/538669251.db2.gz	GOEDASREVVRPLG-QFBILLFUSA-N	1	0	353.426	1.823	20	30		FDEDRO
N#Cc1ccc(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1F	ZINC000455536182	538672284	/nfs/dbraw/zinc/67/22/84/538672284.db2.gz	HVOXPFXIWIRNLO-ZWKOTPCHSA-N	1	0	360.433	1.874	20	30		FDEDRO
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCc1ccc(C#N)c(F)c1	ZINC000459125826	538673569	/nfs/dbraw/zinc/67/35/69/538673569.db2.gz	QYCHGDYGYUQARH-UHFFFAOYSA-N	1	0	361.465	1.865	20	30		FDEDRO
Cc1cc(C)n(CC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c(=O)n1	ZINC000463335987	538681698	/nfs/dbraw/zinc/68/16/98/538681698.db2.gz	OWSSADJBJZYVOJ-UHFFFAOYSA-N	1	0	367.453	1.322	20	30		FDEDRO
C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1	ZINC000473414414	538776646	/nfs/dbraw/zinc/77/66/46/538776646.db2.gz	ZAMVAZWVNVSLCT-MRXNPFEDSA-N	1	0	374.485	1.068	20	30		FDEDRO
C[C@@H](Cn1cccn1)[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000561223852	545756290	/nfs/dbraw/zinc/75/62/90/545756290.db2.gz	HILPQRMNJWQEHX-HOTGVXAUSA-N	1	0	372.498	1.332	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CCO)Cc2ccc(C)o2)CC1	ZINC000561450489	545856762	/nfs/dbraw/zinc/85/67/62/545856762.db2.gz	MOILLJKNVDJNBF-UHFFFAOYSA-N	1	0	363.458	1.066	20	30		FDEDRO
Cc1nnc2n1C[C@@H](C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1)CC2	ZINC000561507080	545878907	/nfs/dbraw/zinc/87/89/07/545878907.db2.gz	REWIUVIYDXEVEW-SJORKVTESA-N	1	0	355.442	1.245	20	30		FDEDRO
C=CC[C@H](CO)C[NH2+]CCS(=O)(=O)c1cccc(Br)c1	ZINC000563137078	546419739	/nfs/dbraw/zinc/41/97/39/546419739.db2.gz	ANROHRKQESCQLO-LBPRGKRZSA-N	1	0	362.289	1.997	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](CO)c2ccc(F)cc2)cc1	ZINC000563137500	546419876	/nfs/dbraw/zinc/41/98/76/546419876.db2.gz	GEOSRTXJZRDWGV-HKUYNNGSSA-N	1	0	358.413	1.997	20	30		FDEDRO
N#Cc1ccc(CN2CCC[C@@]3(C2)NC(=O)NC3=O)c(C(F)(F)F)c1	ZINC000563713237	546657327	/nfs/dbraw/zinc/65/73/27/546657327.db2.gz	GOGNMXVOWBBVTR-HNNXBMFYSA-N	1	0	352.316	1.751	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCc2ccc(CC#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000564204977	546843873	/nfs/dbraw/zinc/84/38/73/546843873.db2.gz	KTGOHFPSVQRMRB-XLIONFOSSA-N	1	0	369.513	1.920	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)Cc2cc[nH]c(=O)c2Br)CC1	ZINC000564271194	546865690	/nfs/dbraw/zinc/86/56/90/546865690.db2.gz	ZBIXKPTYHYYGPO-UHFFFAOYSA-N	1	0	353.220	1.196	20	30		FDEDRO
COC[C@]1(CNC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCC[NH2+]1	ZINC000564429394	546911556	/nfs/dbraw/zinc/91/15/56/546911556.db2.gz	CJPABDKSFSYBSF-GOSISDBHSA-N	1	0	372.404	1.773	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)NCC[C@@H]1CCC[NH2+]C1	ZINC000565303467	547298461	/nfs/dbraw/zinc/29/84/61/547298461.db2.gz	OAUBFPJWYKMDBP-NSHDSACASA-N	1	0	372.288	1.989	20	30		FDEDRO
CN1CC[N@H+](CCCNC(=O)[C@H]([NH3+])CCCC#N)[C@H](c2ccccc2)C1	ZINC000565713667	547452476	/nfs/dbraw/zinc/45/24/76/547452476.db2.gz	JFUAOWITKHCHLL-MOPGFXCFSA-N	1	0	357.502	1.503	20	30		FDEDRO
C[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)Oc1ccc(F)cc1	ZINC000566116377	547610814	/nfs/dbraw/zinc/61/08/14/547610814.db2.gz	ILHLDEPGPAFMCQ-CYBMUJFWSA-N	1	0	363.414	1.923	20	30		FDEDRO
C[N@@H+](Cc1cnc2c(C#N)cnn2c1)C[C@@H](O)COCc1ccccc1	ZINC000566245285	547680344	/nfs/dbraw/zinc/68/03/44/547680344.db2.gz	HFSCNDFLHYBHCB-GOSISDBHSA-N	1	0	351.410	1.610	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2[C@H](C)C[NH+](CC)C[C@H]2C)c1	ZINC000566466876	547771681	/nfs/dbraw/zinc/77/16/81/547771681.db2.gz	QEGCEMRPTFCHHW-HUUCEWRRSA-N	1	0	365.499	1.706	20	30		FDEDRO
Cc1cc(Cl)c2ncc(C#N)c(N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)c2c1	ZINC000566488998	547778298	/nfs/dbraw/zinc/77/82/98/547778298.db2.gz	HDHSBLSLLWWROE-WFASDCNBSA-N	1	0	355.829	1.817	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@]3(CCSC3)C2)CC1	ZINC000566543864	547799952	/nfs/dbraw/zinc/79/99/52/547799952.db2.gz	GICZKAOQURHSFU-PKOBYXMFSA-N	1	0	364.559	1.898	20	30		FDEDRO
N#Cc1cc(NC(=O)NC[C@H]2C[NH2+]CCCO2)ccc1OCC(F)(F)F	ZINC000567093539	547991938	/nfs/dbraw/zinc/99/19/38/547991938.db2.gz	DPSXBQLMUVXWFK-CYBMUJFWSA-N	1	0	372.347	1.999	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N([C@H](CN2CCOCC2)c2ccccc2)C1=O	ZINC000567131970	548005971	/nfs/dbraw/zinc/00/59/71/548005971.db2.gz	CZCRNDBNPCYIJN-IAGOWNOFSA-N	1	0	359.426	1.183	20	30		FDEDRO
N#Cc1c(C#N)c(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)nc2c1CCCCCC2	ZINC000567179324	548024590	/nfs/dbraw/zinc/02/45/90/548024590.db2.gz	CYUSHCOYCCOBDT-SUMWQHHRSA-N	1	0	364.453	1.232	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1	ZINC000567370914	548095550	/nfs/dbraw/zinc/09/55/50/548095550.db2.gz	GMKNBEULGCNPIB-UHFFFAOYSA-N	1	0	350.426	1.339	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)C(=O)N1CCCC[C@@H]1C	ZINC000567605794	548178999	/nfs/dbraw/zinc/17/89/99/548178999.db2.gz	FPYBJBSVJQXQGD-XYJFISCASA-N	1	0	359.470	1.871	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H](CO)Cc2cccnc2)cc1	ZINC000567873100	548301936	/nfs/dbraw/zinc/30/19/36/548301936.db2.gz	MXMPTNQKUVSXQT-KRWDZBQOSA-N	1	0	359.451	1.168	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCO[C@@H](C3CCCCC3)C2)CC1	ZINC000567878229	548305298	/nfs/dbraw/zinc/30/52/98/548305298.db2.gz	GDOFZRWCOIKUQW-GOSISDBHSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCS2(=O)=O)c(OC)c1	ZINC000568078238	548389529	/nfs/dbraw/zinc/38/95/29/548389529.db2.gz	KUGDCPGOBRCZGD-JKSUJKDBSA-N	1	0	369.483	1.330	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)N1CCC[C@@H](N2CCNCC2=O)C1	ZINC000569321981	548873869	/nfs/dbraw/zinc/87/38/69/548873869.db2.gz	NJNOFEKUOLQRKO-QGZVFWFLSA-N	1	0	372.469	1.357	20	30		FDEDRO
N#Cc1c(F)cccc1N1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1	ZINC000569323811	548874417	/nfs/dbraw/zinc/87/44/17/548874417.db2.gz	YDSNTKIMLJBQEB-MAUKXSAKSA-N	1	0	371.460	1.917	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1	ZINC000569546332	548955433	/nfs/dbraw/zinc/95/54/33/548955433.db2.gz	ZFXDQPWWWOUTMJ-HOTGVXAUSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1	ZINC000569736393	549032590	/nfs/dbraw/zinc/03/25/90/549032590.db2.gz	QLRHHYILRAAOAS-KSZLIROESA-N	1	0	365.518	1.568	20	30		FDEDRO
N#Cc1cc2c(nc1NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)CCOC2	ZINC000569899369	549085973	/nfs/dbraw/zinc/08/59/73/549085973.db2.gz	GYKSNEFMUKLZPI-OALUTQOASA-N	1	0	364.449	2.073	20	30		FDEDRO
CSC1(CNS(=O)(=O)Cc2ccc(C#N)cc2F)CC[NH+](C)CC1	ZINC000570087914	549154536	/nfs/dbraw/zinc/15/45/36/549154536.db2.gz	HLVYQCSSGPMRIS-UHFFFAOYSA-N	1	0	371.503	1.944	20	30		FDEDRO
C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1nc(C#N)cs1	ZINC000570369605	549254443	/nfs/dbraw/zinc/25/44/43/549254443.db2.gz	WFYHSRMWWWGRCZ-LBPRGKRZSA-N	1	0	350.469	1.861	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1	ZINC000570837346	549430629	/nfs/dbraw/zinc/43/06/29/549430629.db2.gz	OJKOGVOWCBUAGG-OWLYRPNTSA-N	1	0	351.491	1.645	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCOc3ccccc32)nc1	ZINC000571073838	549517151	/nfs/dbraw/zinc/51/71/51/549517151.db2.gz	DTAVYDUYQHJYFQ-HNNXBMFYSA-N	1	0	357.435	1.883	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)cn1	ZINC000571397337	549630116	/nfs/dbraw/zinc/63/01/16/549630116.db2.gz	HEAVHDMOWVSDTK-QFBILLFUSA-N	1	0	368.462	1.848	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCc2cc(=O)n3ccccc3n2)CC1	ZINC000571408558	549634687	/nfs/dbraw/zinc/63/46/87/549634687.db2.gz	SREXITJLUHRTCB-UHFFFAOYSA-N	1	0	355.442	1.534	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000571586566	549698942	/nfs/dbraw/zinc/69/89/42/549698942.db2.gz	QPZSLIBXGLDJMN-RBUKOAKNSA-N	1	0	355.482	1.987	20	30		FDEDRO
N#Cc1cncc(S(=O)(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)c1	ZINC000572343843	549893501	/nfs/dbraw/zinc/89/35/01/549893501.db2.gz	MGKGTGKLIFVJPO-INIZCTEOSA-N	1	0	364.471	1.219	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3C[C@@H]4CC[NH2+]C[C@H]4C3)n2)c(F)c1	ZINC000572344927	549893887	/nfs/dbraw/zinc/89/38/87/549893887.db2.gz	BZWMLASOVQLYEC-KBPBESRZSA-N	1	0	354.389	1.956	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1	ZINC000572354858	549896071	/nfs/dbraw/zinc/89/60/71/549896071.db2.gz	KGOCHFRVOVVSMJ-OAHLLOKOSA-N	1	0	360.414	1.307	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1	ZINC000572427189	549912837	/nfs/dbraw/zinc/91/28/37/549912837.db2.gz	BJJFYHGJLHMBJS-UHFFFAOYSA-N	1	0	350.426	1.372	20	30		FDEDRO
C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000572762032	549989032	/nfs/dbraw/zinc/98/90/32/549989032.db2.gz	SJEFNYFDASQGQU-BDAKNGLRSA-N	1	0	358.320	1.637	20	30		FDEDRO
C=CCN(C(=O)[C@@H]([NH3+])CCC(=O)OC)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000572764975	549989500	/nfs/dbraw/zinc/98/95/00/549989500.db2.gz	WVWDRMWBLRDGGU-CJNGLKHVSA-N	1	0	372.429	1.018	20	30		FDEDRO
CN1CCN(S(=O)(=O)c2ccccc2C[NH2+][C@H]2CC[C@@H](C#N)C2)CC1	ZINC000572804353	549997937	/nfs/dbraw/zinc/99/79/37/549997937.db2.gz	UJZSTYCOMXYFAY-WBVHZDCISA-N	1	0	362.499	1.405	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)n1	ZINC000572942146	550029152	/nfs/dbraw/zinc/02/91/52/550029152.db2.gz	YAUYIFQCZZSFEL-OLZOCXBDSA-N	1	0	354.389	1.956	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc2C1=O	ZINC000572958872	550032391	/nfs/dbraw/zinc/03/23/91/550032391.db2.gz	PTBJBLSTRPCRGH-CVEARBPZSA-N	1	0	367.449	1.930	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)NCC[C@H]3CCC[NH2+]C3)CC2)cc1	ZINC000573073664	550057473	/nfs/dbraw/zinc/05/74/73/550057473.db2.gz	NBTVHKBTINOKGD-GOSISDBHSA-N	1	0	355.486	1.775	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]CCS(=O)(=O)c2ccccc2)cc1	ZINC000573199059	550085032	/nfs/dbraw/zinc/08/50/32/550085032.db2.gz	IJDVEPVSUOSZJP-INIZCTEOSA-N	1	0	360.435	1.361	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)N1CCC[C@@H]2CCCC[C@@H]21	ZINC000573348221	550118140	/nfs/dbraw/zinc/11/81/40/550118140.db2.gz	WXJAXEPKBWILIW-YOEHRIQHSA-N	1	0	358.490	1.909	20	30		FDEDRO
CCOC(=O)COCC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000573647981	550184139	/nfs/dbraw/zinc/18/41/39/550184139.db2.gz	LEFXBJIREXBJML-UHFFFAOYSA-N	1	0	359.426	1.788	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H]2COc3ccccc3O2)c1C#N	ZINC000573671922	550188324	/nfs/dbraw/zinc/18/83/24/550188324.db2.gz	PZOIALFSBLYVKH-LBPRGKRZSA-N	1	0	355.398	1.602	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)N[C@H](C)C[C@@H](C)[NH3+])c(C#N)cn1CCOC	ZINC000573684528	550192014	/nfs/dbraw/zinc/19/20/14/550192014.db2.gz	YJLHMNNKJOGMGQ-VXGBXAGGSA-N	1	0	365.434	1.430	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N(C1CC1)[C@H]1CC[NH2+]C1	ZINC000574203271	550275290	/nfs/dbraw/zinc/27/52/90/550275290.db2.gz	ZBLHYCBXLMPKHZ-NSHDSACASA-N	1	0	370.272	1.836	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]CCn2c(=O)[nH]c3ccccc32)cc1	ZINC000574311969	550293925	/nfs/dbraw/zinc/29/39/25/550293925.db2.gz	FEILHAGLGWXOQE-INIZCTEOSA-N	1	0	366.421	1.837	20	30		FDEDRO
CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000574560697	550333577	/nfs/dbraw/zinc/33/35/77/550333577.db2.gz	SCFYJXDQCWPIFW-ZDUSSCGKSA-N	1	0	356.405	2.441	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C2CCN(c3ccccc3)CC2)nc1	ZINC000574603709	550340652	/nfs/dbraw/zinc/34/06/52/550340652.db2.gz	UHLNOPUXCFDDSC-UHFFFAOYSA-N	1	0	370.478	1.986	20	30		FDEDRO
N#CC1CCC(CNC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CC1	ZINC000574623668	550343874	/nfs/dbraw/zinc/34/38/74/550343874.db2.gz	YIDZDBANMHWCPX-OPQOLIRYSA-N	1	0	360.502	1.813	20	30		FDEDRO
N#CC1(CNC(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)CC1	ZINC000574624431	550344268	/nfs/dbraw/zinc/34/42/68/550344268.db2.gz	HRVCFCNXCWGDJE-UHFFFAOYSA-N	1	0	361.490	1.314	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[NH2+]CC1CN(S(=O)(=O)CC)C1	ZINC000574750805	550364218	/nfs/dbraw/zinc/36/42/18/550364218.db2.gz	FPGMYYHWTATMOF-KRWDZBQOSA-N	1	0	368.499	1.026	20	30		FDEDRO
C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2ccc(CC#N)cc2)C1	ZINC000574875567	550384767	/nfs/dbraw/zinc/38/47/67/550384767.db2.gz	TWDPVNCLGBQZLA-INIZCTEOSA-N	1	0	370.497	1.996	20	30		FDEDRO
CCc1nn(C)c(CC)c1CC(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N	ZINC000575042958	550414364	/nfs/dbraw/zinc/41/43/64/550414364.db2.gz	ZRLSWEJMDZCCLZ-UHFFFAOYSA-N	1	0	357.462	1.473	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC(CC[NH3+])CC1	ZINC000575929759	550492278	/nfs/dbraw/zinc/49/22/78/550492278.db2.gz	NKKRIFFYCYARSA-UHFFFAOYSA-N	1	0	354.454	1.660	20	30		FDEDRO
C[NH2+][C@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000576212141	550523417	/nfs/dbraw/zinc/52/34/17/550523417.db2.gz	AHSKPTWTDQAUCM-IRXDYDNUSA-N	1	0	355.442	1.053	20	30		FDEDRO
Cc1nc(S(=O)(=O)N2CCN(c3cc(C)ncc3C#N)CC2)cs1	ZINC000576221439	550524669	/nfs/dbraw/zinc/52/46/69/550524669.db2.gz	JFEOUPXIFRPCMG-UHFFFAOYSA-N	1	0	363.468	1.538	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCc2ccc(CC#N)cc2)CC1=O	ZINC000576827167	550590188	/nfs/dbraw/zinc/59/01/88/550590188.db2.gz	WDBOSAIICFYIKN-RTBURBONSA-N	1	0	368.481	1.702	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)NCCn1cnc(C#N)n1)c1ccc(Cl)cc1	ZINC000577403596	550652794	/nfs/dbraw/zinc/65/27/94/550652794.db2.gz	MTYSNGYCAYQFDU-CQSZACIVSA-N	1	0	361.837	1.405	20	30		FDEDRO
CC[NH2+]CCCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000577473178	550659361	/nfs/dbraw/zinc/65/93/61/550659361.db2.gz	LFHNIXMGXGPOSR-UHFFFAOYSA-N	1	0	353.220	1.375	20	30		FDEDRO
C[C@@H]1COCC[N@@H+]1C1CCN(CC(=O)NCc2cccc(C#N)c2)CC1	ZINC000577646283	550679712	/nfs/dbraw/zinc/67/97/12/550679712.db2.gz	KAOXAQVSOHMSJI-MRXNPFEDSA-N	1	0	356.470	1.360	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1	ZINC000577665336	550681396	/nfs/dbraw/zinc/68/13/96/550681396.db2.gz	NCPCUECCQZAGGQ-MSOLQXFVSA-N	1	0	362.499	1.531	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@@H]1CCCOC1	ZINC000577943983	550711055	/nfs/dbraw/zinc/71/10/55/550711055.db2.gz	MXGNHBLYZTVEDG-HZPDHXFCSA-N	1	0	362.499	1.568	20	30		FDEDRO
N#Cc1ncc(C(F)(F)F)cc1N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1	ZINC000578737101	550795806	/nfs/dbraw/zinc/79/58/06/550795806.db2.gz	AVCNZMQOBYUOHF-CYBMUJFWSA-N	1	0	367.375	1.763	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000578950802	550818127	/nfs/dbraw/zinc/81/81/27/550818127.db2.gz	OYTSAMWGNLQHJP-IAGOWNOFSA-N	1	0	357.458	1.846	20	30		FDEDRO
COC[C@](C)(CC(=O)OC)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000579434074	550872868	/nfs/dbraw/zinc/87/28/68/550872868.db2.gz	MWNTWVHSRYWKFH-APWZRJJASA-N	1	0	359.426	1.611	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccn(-c4ccc(C#N)cc4Cl)n3)C[C@@H]21	ZINC000579801770	550910925	/nfs/dbraw/zinc/91/09/25/550910925.db2.gz	MHLWEHCLBZUJKP-CJNGLKHVSA-N	1	0	370.844	2.565	20	30		FDEDRO
C=C(C)[C@@H](NC(=O)C(=O)NCC1CC[NH2+]CC1)c1ccc(F)c(F)c1	ZINC000580055256	550938139	/nfs/dbraw/zinc/93/81/39/550938139.db2.gz	NKFGLODKRQPINM-MRXNPFEDSA-N	1	0	351.397	1.814	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1	ZINC000580569181	550996227	/nfs/dbraw/zinc/99/62/27/550996227.db2.gz	COKRMBTWYJPXAG-UHFFFAOYSA-N	1	0	357.414	1.206	20	30		FDEDRO
N#CCCn1cc(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)c(-c2ccncc2)n1	ZINC000580989879	551040200	/nfs/dbraw/zinc/04/02/00/551040200.db2.gz	RYKFEFSKUWGDJJ-IBGZPJMESA-N	1	0	350.426	1.571	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(S(=O)(=O)CC3(C#N)CCC3)CC2)c1	ZINC000581159055	551058551	/nfs/dbraw/zinc/05/85/51/551058551.db2.gz	BGYGKMIQQMDGRX-UHFFFAOYSA-N	1	0	350.444	1.236	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)CC2)cc1	ZINC000581364271	551080644	/nfs/dbraw/zinc/08/06/44/551080644.db2.gz	SUPVYWUTOLCOBF-MOPGFXCFSA-N	1	0	364.449	1.384	20	30		FDEDRO
CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1	ZINC000581390460	551083920	/nfs/dbraw/zinc/08/39/20/551083920.db2.gz	QFQZUVYOQTXYBM-UHFFFAOYSA-N	1	0	371.485	1.055	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H]3CCC[C@H]([NH3+])C3)C2=O)cc1	ZINC000581674177	551121140	/nfs/dbraw/zinc/12/11/40/551121140.db2.gz	TVFJKEMYYQSBFF-BZSNNMDCSA-N	1	0	369.469	1.476	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)COc3cccc(Br)c3C#N)C[C@@H]21	ZINC000583547294	551367397	/nfs/dbraw/zinc/36/73/97/551367397.db2.gz	YNFPTFTUVISOPY-RISCZKNCSA-N	1	0	364.243	1.862	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)N3CC[C@]4(CC[NH2+]C4)C3)CC2)cc1	ZINC000583928790	551422099	/nfs/dbraw/zinc/42/20/99/551422099.db2.gz	OFLSZXMZIKYUQH-NRFANRHFSA-N	1	0	364.449	1.386	20	30		FDEDRO
CC(C)(CN1CCOCC1)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000584060183	551441446	/nfs/dbraw/zinc/44/14/46/551441446.db2.gz	OUEZFHPBLJLJDP-SFHVURJKSA-N	1	0	356.470	1.754	20	30		FDEDRO
CC(C)C[C@@H](C[NH2+]C[C@H](O)COc1ccc(C#N)cc1)N1CCOCC1	ZINC000584130669	551451951	/nfs/dbraw/zinc/45/19/51/551451951.db2.gz	KXELFUKJFGFUTC-OALUTQOASA-N	1	0	361.486	1.634	20	30		FDEDRO
CS(=O)(=O)CC1(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CCC1	ZINC000584465053	551501192	/nfs/dbraw/zinc/50/11/92/551501192.db2.gz	QWIBXFGFZSHOGU-MRXNPFEDSA-N	1	0	366.483	1.297	20	30		FDEDRO
CC(C)C[C@H](NC(=O)NCc1ccc(CC#N)cc1)C(=O)NCC[NH+](C)C	ZINC000584526636	551511881	/nfs/dbraw/zinc/51/18/81/551511881.db2.gz	BDASBHRWDXLNCA-SFHVURJKSA-N	1	0	373.501	1.644	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCc1ccc(C#N)cc1F	ZINC000585777654	551598276	/nfs/dbraw/zinc/59/82/76/551598276.db2.gz	TXZURFAVDYONCL-UONOGXRCSA-N	1	0	360.433	1.550	20	30		FDEDRO
C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000586779381	551618604	/nfs/dbraw/zinc/61/86/04/551618604.db2.gz	UDWKBONZQXUJED-NZSAHSFTSA-N	1	0	359.470	1.287	20	30		FDEDRO
CNC(=O)CC[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000586785697	551619249	/nfs/dbraw/zinc/61/92/49/551619249.db2.gz	OCYRSNXJIYSLQO-QZTJIDSGSA-N	1	0	359.470	1.873	20	30		FDEDRO
N#Cc1cccc(F)c1CC(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1	ZINC000586797872	551620357	/nfs/dbraw/zinc/62/03/57/551620357.db2.gz	OVIIATMBEACUJJ-SFHVURJKSA-N	1	0	367.424	1.775	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)C(C)(C)C	ZINC000586864843	551628058	/nfs/dbraw/zinc/62/80/58/551628058.db2.gz	KHQAOTDEFPTMIW-MRXNPFEDSA-N	1	0	362.449	1.796	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(C#N)c(Cl)c2)[C@@H](C)C1	ZINC000588672859	551674627	/nfs/dbraw/zinc/67/46/27/551674627.db2.gz	LGGWUKHCWQAZND-STQMWFEESA-N	1	0	350.850	1.808	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)n1	ZINC000588731040	551680525	/nfs/dbraw/zinc/68/05/25/551680525.db2.gz	QHFUMMWOKSLJNF-UHFFFAOYSA-N	1	0	359.478	1.447	20	30		FDEDRO
CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000589901440	551750431	/nfs/dbraw/zinc/75/04/31/551750431.db2.gz	SCMCEPINRDQMLT-IAGOWNOFSA-N	1	0	357.458	1.990	20	30		FDEDRO
C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000590403918	551780941	/nfs/dbraw/zinc/78/09/41/551780941.db2.gz	QBSFPZXKIXZSTK-CJNGLKHVSA-N	1	0	364.471	1.043	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3ccccn3)C2)CC1	ZINC000590600833	551797205	/nfs/dbraw/zinc/79/72/05/551797205.db2.gz	NPNNWVNQAKBPRH-UYAOXDASSA-N	1	0	369.513	1.953	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(c3ncc(Br)cc3C#N)CC2)C1	ZINC000590690357	551805729	/nfs/dbraw/zinc/80/57/29/551805729.db2.gz	QUYFUIYMPJYXGS-HNNXBMFYSA-N	1	0	364.291	1.932	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCNC1=O	ZINC000590950376	551829163	/nfs/dbraw/zinc/82/91/63/551829163.db2.gz	MYUPIWZJNQMNBK-KRWDZBQOSA-N	1	0	357.458	1.158	20	30		FDEDRO
N#CC1CCN(C(=O)C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CC1	ZINC000590979790	551831830	/nfs/dbraw/zinc/83/18/30/551831830.db2.gz	MMCDIDXVRXIEJC-UHFFFAOYSA-N	1	0	360.502	1.863	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)N[C@@H](CO)C[NH+]2CCCCC2)cc1	ZINC000591219348	551851578	/nfs/dbraw/zinc/85/15/78/551851578.db2.gz	ZFCPUSNPLGSTII-IEBWSBKVSA-N	1	0	356.470	1.490	20	30		FDEDRO
N#Cc1cc(Oc2ccc(NC(=O)C(=O)NCC[NH2+]C3CC3)cc2)ccn1	ZINC000591294774	551857457	/nfs/dbraw/zinc/85/74/57/551857457.db2.gz	WLQFBENAZCISKQ-UHFFFAOYSA-N	1	0	365.393	1.552	20	30		FDEDRO
N#Cc1cccc(C2(NC(=O)Nc3cnc(N4CC[NH2+]CC4)nc3)CC2)c1	ZINC000591310868	551860446	/nfs/dbraw/zinc/86/04/46/551860446.db2.gz	DARUFRMPIMOAPL-UHFFFAOYSA-N	1	0	363.425	1.569	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)CC2)nc1	ZINC000591350578	551865066	/nfs/dbraw/zinc/86/50/66/551865066.db2.gz	RKQHMSUYYQPGQJ-CGTJXYLNSA-N	1	0	368.485	1.691	20	30		FDEDRO
N#Cc1ccc(CNC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)c(F)c1	ZINC000591350915	551865077	/nfs/dbraw/zinc/86/50/77/551865077.db2.gz	NSFZTQMWLIPGBL-UHFFFAOYSA-N	1	0	359.449	1.713	20	30		FDEDRO
C[C@@]1(CNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CCC[NH2+]C1	ZINC000591360083	551865926	/nfs/dbraw/zinc/86/59/26/551865926.db2.gz	JYARPCIIAUXGIM-LJQANCHMSA-N	1	0	372.473	1.645	20	30		FDEDRO
Cc1ccc(-n2nc(CCCNC(=O)NC[C@H](C)[NH3+])c(C#N)c2N)cc1	ZINC000591361320	551866214	/nfs/dbraw/zinc/86/62/14/551866214.db2.gz	TZFIYYONYBTLCN-ZDUSSCGKSA-N	1	0	355.446	1.214	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)NCc3ccc4c(c3)C[NH2+]C4)CC2)n1	ZINC000591360362	551866250	/nfs/dbraw/zinc/86/62/50/551866250.db2.gz	NONCYLVPRWWOLK-UHFFFAOYSA-N	1	0	362.437	1.588	20	30		FDEDRO
CC1(C)CN(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CCO1	ZINC000591730010	551904095	/nfs/dbraw/zinc/90/40/95/551904095.db2.gz	RDHFAHSQYIMSEP-UHFFFAOYSA-N	1	0	351.472	1.032	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCOC3(CCOCC3)C2)cc1	ZINC000591756640	551906085	/nfs/dbraw/zinc/90/60/85/551906085.db2.gz	LDDXQQWTKFBFCD-QZTJIDSGSA-N	1	0	360.454	1.810	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([NH2+]C[C@@H](O)COC3CCOCC3)C2=O)cc1	ZINC000591758776	551906718	/nfs/dbraw/zinc/90/67/18/551906718.db2.gz	KFPMEXIWSUDJNN-IEBWSBKVSA-N	1	0	373.453	1.200	20	30		FDEDRO
N#CC[C@]1(O)CCN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1	ZINC000592017484	551927316	/nfs/dbraw/zinc/92/73/16/551927316.db2.gz	UGZJZGCTADZWFJ-XUJLQICISA-N	1	0	374.407	1.852	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2)C1	ZINC000592154845	551951096	/nfs/dbraw/zinc/95/10/96/551951096.db2.gz	KGTBHFVJZZTVKG-GDBMZVCRSA-N	1	0	358.442	1.025	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC3(C[C@H]2C)CCOCC3)CC1	ZINC000592182471	551954722	/nfs/dbraw/zinc/95/47/22/551954722.db2.gz	AZPLNRDXFFRNOU-MSOLQXFVSA-N	1	0	362.518	1.570	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)NCc3ccc(C[NH3+])cc3)C2)nc1	ZINC000592219285	551962266	/nfs/dbraw/zinc/96/22/66/551962266.db2.gz	IPSLORZMXUJXQI-QGZVFWFLSA-N	1	0	351.410	1.775	20	30		FDEDRO
N#CC[C@@]1(O)CCN(C(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1	ZINC000592301325	551975287	/nfs/dbraw/zinc/97/52/87/551975287.db2.gz	GHKAEMHCEXKCER-HXUWFJFHSA-N	1	0	370.453	1.140	20	30		FDEDRO
N#CC[C@]1(O)CCN(C(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1	ZINC000592301324	551975360	/nfs/dbraw/zinc/97/53/60/551975360.db2.gz	GHKAEMHCEXKCER-FQEVSTJZSA-N	1	0	370.453	1.140	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CCO1	ZINC000592373839	551985667	/nfs/dbraw/zinc/98/56/67/551985667.db2.gz	DVPVFKQMXUOAHP-RNCFNFMXSA-N	1	0	363.361	1.314	20	30		FDEDRO
C=CCn1c([C@@H]2CCO[C@H]2C)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1	ZINC000592399539	551989174	/nfs/dbraw/zinc/98/91/74/551989174.db2.gz	VMGSFZWBNOKDTO-RCCFBDPRSA-N	1	0	374.533	1.573	20	30		FDEDRO
CCCN(C(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[C@@H]1CC[N@H+](C)C1	ZINC000592833257	552033687	/nfs/dbraw/zinc/03/36/87/552033687.db2.gz	XNWJOIRGXXXQKU-QGZVFWFLSA-N	1	0	352.442	1.882	20	30		FDEDRO
Cc1cccc(N2CC[NH+](CCC(=O)N3CC[C@](O)(CC#N)C3)CC2)c1	ZINC000592845323	552034964	/nfs/dbraw/zinc/03/49/64/552034964.db2.gz	NSVSOYARHONPFR-HXUWFJFHSA-N	1	0	356.470	1.384	20	30		FDEDRO
C[C@@H](CCO)[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000593108064	552063135	/nfs/dbraw/zinc/06/31/35/552063135.db2.gz	LPLQHPREWUCTJH-MAUKXSAKSA-N	1	0	362.449	1.237	20	30		FDEDRO
C[C@@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C(=O)N(C)C	ZINC000593310077	552087128	/nfs/dbraw/zinc/08/71/28/552087128.db2.gz	LYDCXFKBFLQKDY-CQSZACIVSA-N	1	0	357.458	1.299	20	30		FDEDRO
CN1CC[C@@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1=O	ZINC000593349329	552093626	/nfs/dbraw/zinc/09/36/26/552093626.db2.gz	WAYJSEPQUOJOPS-QGZVFWFLSA-N	1	0	355.442	1.053	20	30		FDEDRO
CN1C[C@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1=O	ZINC000593372508	552097254	/nfs/dbraw/zinc/09/72/54/552097254.db2.gz	KUPHYZSEHFLQQT-QGZVFWFLSA-N	1	0	355.442	1.053	20	30		FDEDRO
C[NH+](C)CCN1CCN(C(=O)NCc2ccc(C#N)c(Cl)c2)CC1=O	ZINC000593403123	552103272	/nfs/dbraw/zinc/10/32/72/552103272.db2.gz	MVTCOCJKXMUNNK-UHFFFAOYSA-N	1	0	363.849	1.127	20	30		FDEDRO
CON1CCC(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1	ZINC000593417532	552105207	/nfs/dbraw/zinc/10/52/07/552105207.db2.gz	VFSGWWGTRGOFRV-UHFFFAOYSA-N	1	0	371.485	1.848	20	30		FDEDRO
C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC(=O)N1C	ZINC000593514680	552120522	/nfs/dbraw/zinc/12/05/22/552120522.db2.gz	YUGCYSVNWFAVDW-OAHLLOKOSA-N	1	0	369.469	1.395	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N(C)C[C@H]1CCC[N@H+](C)C1	ZINC000593545924	552129004	/nfs/dbraw/zinc/12/90/04/552129004.db2.gz	GZRGDAOJWJGLNS-AWEZNQCLSA-N	1	0	365.455	1.307	20	30		FDEDRO
CC[C@H](C#N)C(=O)N(CCNC(=O)[C@H](C#N)CC)CC[NH+]1CCCCC1	ZINC000593702429	552177847	/nfs/dbraw/zinc/17/78/47/552177847.db2.gz	YCSQOYVQVLXIDD-DLBZAZTESA-N	1	0	361.490	1.517	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)NCCC3CC[NH2+]CC3)C2=O)cc1	ZINC000593707897	552178807	/nfs/dbraw/zinc/17/88/07/552178807.db2.gz	JDJPWUQAHKJDID-SFHVURJKSA-N	1	0	369.469	1.743	20	30		FDEDRO
COc1cc(CNC(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)ccc1C#N	ZINC000593710083	552179539	/nfs/dbraw/zinc/17/95/39/552179539.db2.gz	FRSNBVCSPOYGMZ-LNLFQRSKSA-N	1	0	372.469	1.995	20	30		FDEDRO
N#Cc1ccsc1NC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1	ZINC000593766814	552194287	/nfs/dbraw/zinc/19/42/87/552194287.db2.gz	JYAIBEAEZOLNTC-MJBXVCDLSA-N	1	0	362.455	1.303	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000593767699	552194600	/nfs/dbraw/zinc/19/46/00/552194600.db2.gz	RLSLODHHHAYGFP-YLQAJVPDSA-N	1	0	374.416	1.381	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCC1CC[NH2+]CC1	ZINC000593786311	552196812	/nfs/dbraw/zinc/19/68/12/552196812.db2.gz	WGRHTWVGHDQLST-UHFFFAOYSA-N	1	0	356.470	1.801	20	30		FDEDRO
CCNC(=O)CCCC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593883609	552216257	/nfs/dbraw/zinc/21/62/57/552216257.db2.gz	QOZQZZOHQQAGHJ-UHFFFAOYSA-N	1	0	356.470	1.945	20	30		FDEDRO
CO[C@](C)(CO)CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000594250366	552270714	/nfs/dbraw/zinc/27/07/14/552270714.db2.gz	SWHCHBGZTHWDIE-IBGZPJMESA-N	1	0	360.458	1.219	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C	ZINC000594262523	552273065	/nfs/dbraw/zinc/27/30/65/552273065.db2.gz	QENOAAMXUQJYNB-VQIMIIECSA-N	1	0	370.497	1.796	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000594323911	552287852	/nfs/dbraw/zinc/28/78/52/552287852.db2.gz	SSCUFVRVDUQKNC-VQIMIIECSA-N	1	0	368.481	1.502	20	30		FDEDRO
CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1	ZINC000594351460	552293934	/nfs/dbraw/zinc/29/39/34/552293934.db2.gz	ZOVSXDRMPIQQTM-PKOBYXMFSA-N	1	0	358.486	1.736	20	30		FDEDRO
Cc1nc(SCC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c(C#N)c(C)c1C	ZINC000594392441	552301723	/nfs/dbraw/zinc/30/17/23/552301723.db2.gz	GRXKRQYYGHLMBG-LSDHHAIUSA-N	1	0	360.483	1.248	20	30		FDEDRO
COc1cc(C#N)ccc1OCCCC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000594394576	552302688	/nfs/dbraw/zinc/30/26/88/552302688.db2.gz	XPXWTNBEQFMDIL-JKSUJKDBSA-N	1	0	359.426	1.003	20	30		FDEDRO
CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@@H]([NH3+])CCCCC#N	ZINC000594424550	552308155	/nfs/dbraw/zinc/30/81/55/552308155.db2.gz	AYTOLNHOCMETTM-HNNXBMFYSA-N	1	0	374.441	1.656	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1	ZINC000594426267	552308247	/nfs/dbraw/zinc/30/82/47/552308247.db2.gz	DRAIEODOVUGCSE-AWEZNQCLSA-N	1	0	357.863	1.641	20	30		FDEDRO
CCOC(=O)c1ccc(N2CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC2)nc1	ZINC000594436944	552309869	/nfs/dbraw/zinc/30/98/69/552309869.db2.gz	RGVMYBVCEWZJPX-INIZCTEOSA-N	1	0	373.457	1.318	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)NCc1nnc2ccc(C(F)(F)F)cn21	ZINC000594441054	552311275	/nfs/dbraw/zinc/31/12/75/552311275.db2.gz	LSNXSALKOPFTEX-LLVKDONJSA-N	1	0	354.336	1.776	20	30		FDEDRO
Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)[C@H]([NH3+])CCCCC#N)C2)n1	ZINC000594440436	552311299	/nfs/dbraw/zinc/31/12/99/552311299.db2.gz	CHCIKMVIRNBXFH-HZPDHXFCSA-N	1	0	357.458	1.978	20	30		FDEDRO
COc1cc(OC)cc(N2CC[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)C2=O)c1	ZINC000594445427	552312041	/nfs/dbraw/zinc/31/20/41/552312041.db2.gz	FHSXZUDCXHCYKM-IAGOWNOFSA-N	1	0	374.441	1.337	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N[C@H]1CCN(CCCc2ccccc2)C1=O	ZINC000594445893	552312133	/nfs/dbraw/zinc/31/21/33/552312133.db2.gz	NBGXROWGDUEXFO-MSOLQXFVSA-N	1	0	356.470	1.748	20	30		FDEDRO
C[NH+](C)CCNC(=O)Cn1cc(NCc2ccc(C(C)(C)C#N)cc2)cn1	ZINC000594499003	552326459	/nfs/dbraw/zinc/32/64/59/552326459.db2.gz	AAQBEIWNJQZWAM-UHFFFAOYSA-N	1	0	368.485	1.974	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1	ZINC000594620157	552342380	/nfs/dbraw/zinc/34/23/80/552342380.db2.gz	BZNZVNDCXJJFTP-MSOLQXFVSA-N	1	0	354.454	1.502	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1	ZINC000595114300	552455211	/nfs/dbraw/zinc/45/52/11/552455211.db2.gz	VQZFDCBRJBJLED-KSZLIROESA-N	1	0	363.483	1.749	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)C1	ZINC000595146325	552467367	/nfs/dbraw/zinc/46/73/67/552467367.db2.gz	XQIOBWGRRKTCPA-FUHIMQAGSA-N	1	0	360.502	1.862	20	30		FDEDRO
C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@](C)(C#N)C2)cc1	ZINC000595208200	552490675	/nfs/dbraw/zinc/49/06/75/552490675.db2.gz	QEIJJYGLSWIOIY-IBGZPJMESA-N	1	0	371.441	1.277	20	30		FDEDRO
C[C@@]1(C#N)CCN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCSCC2)C1	ZINC000595207808	552490752	/nfs/dbraw/zinc/49/07/52/552490752.db2.gz	LWUMSWJHBSAKQX-IBGZPJMESA-N	1	0	372.494	1.936	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)n2)c(Cl)c1	ZINC000595230392	552499027	/nfs/dbraw/zinc/49/90/27/552499027.db2.gz	GIMKMDMMIPGKRN-CHWSQXEVSA-N	1	0	362.796	2.300	20	30		FDEDRO
N#CCCN(CC1CC1)C(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1	ZINC000595238557	552502069	/nfs/dbraw/zinc/50/20/69/552502069.db2.gz	FPMGJEDVIUMWGG-KRWDZBQOSA-N	1	0	356.426	1.438	20	30		FDEDRO
N#Cc1cccc(-c2csc(NC(=O)C(=O)NCC34CC(C3)C[NH2+]4)n2)c1	ZINC000595253517	552505637	/nfs/dbraw/zinc/50/56/37/552505637.db2.gz	XLERDOGBCBDNKN-UHFFFAOYSA-N	1	0	367.434	1.488	20	30		FDEDRO
C[C@@H]([NH3+])CNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595265684	552507727	/nfs/dbraw/zinc/50/77/27/552507727.db2.gz	STVQFEXLGGBVSP-CYBMUJFWSA-N	1	0	353.430	1.127	20	30		FDEDRO
C=CCCSCCNC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1	ZINC000595270076	552509053	/nfs/dbraw/zinc/50/90/53/552509053.db2.gz	BSFMKJZNZIUFRN-JKSUJKDBSA-N	1	0	368.547	1.586	20	30		FDEDRO
N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC000595383985	552543935	/nfs/dbraw/zinc/54/39/35/552543935.db2.gz	GGXXQQXMRHYYKA-CYBMUJFWSA-N	1	0	369.874	1.431	20	30		FDEDRO
N#CC1(CS(=O)(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CCCCC1	ZINC000595384022	552544077	/nfs/dbraw/zinc/54/40/77/552544077.db2.gz	HQNDDOWHLFVCTJ-MRXNPFEDSA-N	1	0	355.504	1.321	20	30		FDEDRO
N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC000595385270	552544683	/nfs/dbraw/zinc/54/46/83/552544683.db2.gz	XYYUPVVQLKOFDA-OAHLLOKOSA-N	1	0	369.874	1.431	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1	ZINC000595399440	552549274	/nfs/dbraw/zinc/54/92/74/552549274.db2.gz	WTNSGHDENDNNKM-AWEZNQCLSA-N	1	0	360.506	2.013	20	30		FDEDRO
C[NH+](C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)c1ccc(C#N)s1	ZINC000595404010	552551030	/nfs/dbraw/zinc/55/10/30/552551030.db2.gz	NWYQLCKULOWJRD-ZDUSSCGKSA-N	1	0	369.512	1.884	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CCO1	ZINC000595403350	552551190	/nfs/dbraw/zinc/55/11/90/552551190.db2.gz	CPMRNRYAINQXQB-AWEZNQCLSA-N	1	0	371.890	1.943	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)cc1	ZINC000595470728	552567860	/nfs/dbraw/zinc/56/78/60/552567860.db2.gz	QYSCZWJGDZDDOJ-PMACEKPBSA-N	1	0	373.497	1.679	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([N@H+](CCOCCO)C3CCC3)C2=O)cc1	ZINC000595595684	552589883	/nfs/dbraw/zinc/58/98/83/552589883.db2.gz	KPMBSJJUXYBPEE-LJQANCHMSA-N	1	0	357.454	1.917	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H](C)CO)CC1	ZINC000595673028	552601090	/nfs/dbraw/zinc/60/10/90/552601090.db2.gz	JGKYCFIAOZNXTC-KSZLIROESA-N	1	0	350.507	1.162	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000595705959	552604875	/nfs/dbraw/zinc/60/48/75/552604875.db2.gz	YZVCSQLMAYWLOJ-INIZCTEOSA-N	1	0	356.474	1.658	20	30		FDEDRO
Cn1cc(C[C@H]2CCC[C@H]2[NH2+]CC(=O)NCc2ccc(C#N)cc2)cn1	ZINC000595768077	552613284	/nfs/dbraw/zinc/61/32/84/552613284.db2.gz	DXOMSGFUDOINER-RTBURBONSA-N	1	0	351.454	1.909	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@@H]2C[C@@H](O)C23CCC3)CC1	ZINC000595780853	552614248	/nfs/dbraw/zinc/61/42/48/552614248.db2.gz	JAAIDBXFXCPGCN-DJIMGWMZSA-N	1	0	374.510	1.350	20	30		FDEDRO
CC(C)NC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000595851291	552623456	/nfs/dbraw/zinc/62/34/56/552623456.db2.gz	QMIAQZGVBPLOQB-AEFFLSMTSA-N	1	0	354.454	1.900	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1	ZINC000595862430	552624920	/nfs/dbraw/zinc/62/49/20/552624920.db2.gz	BNBVWPQHQUZZEN-RTBURBONSA-N	1	0	359.470	1.023	20	30		FDEDRO
C=C[C@H](CO)[NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2	ZINC000595864233	552625605	/nfs/dbraw/zinc/62/56/05/552625605.db2.gz	WFWDLKQDZBJENJ-HUUCEWRRSA-N	1	0	372.469	1.493	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)c3cc(C4CC[NH2+]CC4)no3)CC2)c1	ZINC000595920537	552633601	/nfs/dbraw/zinc/63/36/01/552633601.db2.gz	UBRQVQITFWYKJR-UHFFFAOYSA-N	1	0	366.425	1.371	20	30		FDEDRO
C=CC[C@@]1(C(=O)Nc2ccc(CC(=O)NCC(=O)OC)cc2)CCC[NH2+]1	ZINC000595924453	552634048	/nfs/dbraw/zinc/63/40/48/552634048.db2.gz	FKSPDABZCSPDQS-IBGZPJMESA-N	1	0	359.426	1.155	20	30		FDEDRO
CC[C@H]([NH2+]C)C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595969233	552639813	/nfs/dbraw/zinc/63/98/13/552639813.db2.gz	CUXVDUNUJSDJAH-INIZCTEOSA-N	1	0	352.442	1.595	20	30		FDEDRO
CNC(=O)CC1(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)CCCCC1	ZINC000596065967	552651605	/nfs/dbraw/zinc/65/16/05/552651605.db2.gz	ZGLCMTGOFRVRDA-KRWDZBQOSA-N	1	0	359.470	1.974	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CC2(CC(N)=O)CCCCC2)nc1	ZINC000596068174	552652252	/nfs/dbraw/zinc/65/22/52/552652252.db2.gz	FLGPGAJBUZDMII-UHFFFAOYSA-N	1	0	364.471	1.142	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)NCCc1ccc(C#N)cc1)[NH+]1CCN(C)CC1	ZINC000596117056	552656824	/nfs/dbraw/zinc/65/68/24/552656824.db2.gz	CMJJQKOOFJVZLS-LJQANCHMSA-N	1	0	357.502	1.672	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)CCO1	ZINC000596407619	552676804	/nfs/dbraw/zinc/67/68/04/552676804.db2.gz	DRGCSLVACMMOFC-GOSISDBHSA-N	1	0	360.458	1.689	20	30		FDEDRO
COCc1nc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n(C)n1	ZINC000596435527	552679353	/nfs/dbraw/zinc/67/93/53/552679353.db2.gz	HAHAHFOCFAQIKB-UHFFFAOYSA-N	1	0	368.441	1.228	20	30		FDEDRO
Cn1ncc2c1CC(C)(C)CN(CC(=O)NCc1ccc(C#N)cc1)C2	ZINC000596598468	552692838	/nfs/dbraw/zinc/69/28/38/552692838.db2.gz	HEXNASBZKXLPGW-UHFFFAOYSA-N	1	0	351.454	1.992	20	30		FDEDRO
C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NCCn2cnc(C#N)n2)C1	ZINC000596599291	552693092	/nfs/dbraw/zinc/69/30/92/552693092.db2.gz	STLOHNMLIQVONQ-KRWDZBQOSA-N	1	0	367.457	1.108	20	30		FDEDRO
C[NH+]1CCN(c2cc(-c3noc(C4(C#N)CCOCC4)n3)ccn2)CC1	ZINC000596603033	552693442	/nfs/dbraw/zinc/69/34/42/552693442.db2.gz	SALVVDRHJBQFEN-UHFFFAOYSA-N	1	0	354.414	1.455	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000596674067	552700063	/nfs/dbraw/zinc/70/00/63/552700063.db2.gz	XOQHNQXAQDRQGQ-SFHVURJKSA-N	1	0	369.469	1.049	20	30		FDEDRO
C[C@@H](C#N)CN(C)c1nnc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1C[C@@H]1CCCO1	ZINC000597337408	552776759	/nfs/dbraw/zinc/77/67/59/552776759.db2.gz	LDCCRJHJNMNKIC-YVSFHVDLSA-N	1	0	374.489	1.589	20	30		FDEDRO
N#CC1(CC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)CCOCC1	ZINC000597410265	552785625	/nfs/dbraw/zinc/78/56/25/552785625.db2.gz	QREQNDWSQKLLGQ-OALUTQOASA-N	1	0	371.481	1.696	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@@]1(NC(=O)[C@H](C)C#N)CC[N@H+](Cc2ccccc2)C1	ZINC000597621825	552813036	/nfs/dbraw/zinc/81/30/36/552813036.db2.gz	NBQAMLTZUVZGPN-QINHECLXSA-N	1	0	367.453	1.183	20	30		FDEDRO
CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)CC(C)(C)C#N	ZINC000597652369	552817717	/nfs/dbraw/zinc/81/77/17/552817717.db2.gz	ACTSAXMHBLXKCO-UHFFFAOYSA-N	1	0	370.453	1.613	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000597692491	552822577	/nfs/dbraw/zinc/82/25/77/552822577.db2.gz	OEGCEYNDFDTGQE-IRXDYDNUSA-N	1	0	371.485	1.569	20	30		FDEDRO
CSc1[n-]c(=O)c(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@@H+]2C)cc1C#N	ZINC000597697675	552823446	/nfs/dbraw/zinc/82/34/46/552823446.db2.gz	YWYROFZZTNQUKK-KGLIPLIRSA-N	1	0	362.455	1.316	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000598599289	552913324	/nfs/dbraw/zinc/91/33/24/552913324.db2.gz	BFKKGDXWJRHRJT-HIFRSBDPSA-N	1	0	353.488	1.888	20	30		FDEDRO
CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)C[C@@H](O)CC(C)(C)C#N)CC1	ZINC000598617459	552916261	/nfs/dbraw/zinc/91/62/61/552916261.db2.gz	RPTISHCDVIZDHE-HOCLYGCPSA-N	1	0	359.536	1.669	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)CN1C(=O)N[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1=O	ZINC000598702652	552926904	/nfs/dbraw/zinc/92/69/04/552926904.db2.gz	WUQDYQPNUHPYML-OXQOHEQNSA-N	1	0	370.453	1.484	20	30		FDEDRO
COc1cc(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)ccc1C#N	ZINC000599009005	552957725	/nfs/dbraw/zinc/95/77/25/552957725.db2.gz	XGEGIQFPNRIKTG-LJQANCHMSA-N	1	0	352.438	1.952	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1C	ZINC000599219899	552991200	/nfs/dbraw/zinc/99/12/00/552991200.db2.gz	UARYKMPYLIIMMQ-UHFFFAOYSA-N	1	0	361.471	1.353	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH+]2CCN(CCOc3ccccc3)CC2)CCOCC1	ZINC000599256884	553005079	/nfs/dbraw/zinc/00/50/79/553005079.db2.gz	FQQZSOSIMMVYAM-IBGZPJMESA-N	1	0	373.497	1.754	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH+]2CCN(CCOc3ccccc3)CC2)CCOCC1	ZINC000599256885	553005181	/nfs/dbraw/zinc/00/51/81/553005181.db2.gz	FQQZSOSIMMVYAM-LJQANCHMSA-N	1	0	373.497	1.754	20	30		FDEDRO
C[N@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@H]1CCN(c2ccccc2)C1=O	ZINC000599325128	553027821	/nfs/dbraw/zinc/02/78/21/553027821.db2.gz	ACCRMNDHVGVTKK-MSOLQXFVSA-N	1	0	357.454	1.795	20	30		FDEDRO
CCC(CC)(C[NH2+]CC#CCN1C(=O)c2ccccc2C1=O)C(=O)OC	ZINC000599337212	553031047	/nfs/dbraw/zinc/03/10/47/553031047.db2.gz	YCCHZKMLRYAACZ-UHFFFAOYSA-N	1	0	356.422	1.855	20	30		FDEDRO
Cc1noc(C)c1CO[C@@H]1CC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000599359978	553035917	/nfs/dbraw/zinc/03/59/17/553035917.db2.gz	IAGFWPFTHYGNCA-IAGOWNOFSA-N	1	0	363.458	1.954	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)CCOCC1	ZINC000599381254	553041205	/nfs/dbraw/zinc/04/12/05/553041205.db2.gz	JDZZCHBJFNACHY-YWZLYKJASA-N	1	0	355.438	1.654	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(C[C@H](O)CC2(C#N)CCOCC2)CC1	ZINC000599389901	553042997	/nfs/dbraw/zinc/04/29/97/553042997.db2.gz	AVNXYDNEQJGHHP-MRXNPFEDSA-N	1	0	360.458	1.284	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CCCC[N@H+](C)C1	ZINC000599414784	553051991	/nfs/dbraw/zinc/05/19/91/553051991.db2.gz	IHAFBIIPFSTHTQ-CQSZACIVSA-N	1	0	365.455	1.355	20	30		FDEDRO
COC(=O)C[C@@](C)([NH2+]C[C@@H](O)COc1ccccc1C#N)c1ccncc1	ZINC000599417471	553052129	/nfs/dbraw/zinc/05/21/29/553052129.db2.gz	MUXXMAASSJEXIZ-YLJYHZDGSA-N	1	0	369.421	1.761	20	30		FDEDRO
C[C@@H]1COCCN1C1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1	ZINC000599424285	553053997	/nfs/dbraw/zinc/05/39/97/553053997.db2.gz	MJBQATYFULZRQO-SJLPKXTDSA-N	1	0	351.491	1.243	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]C1(C(N)=O)C2CC3CC(C2)CC1C3	ZINC000599438954	553056613	/nfs/dbraw/zinc/05/66/13/553056613.db2.gz	VUBSBALTOJXYER-OFSFZPRKSA-N	1	0	369.465	1.568	20	30		FDEDRO
CC1(N2CCOCC2)CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1	ZINC000599623121	553106328	/nfs/dbraw/zinc/10/63/28/553106328.db2.gz	SCDVIWMHBHNXHA-KRWDZBQOSA-N	1	0	351.491	1.244	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2	ZINC000599626207	553107432	/nfs/dbraw/zinc/10/74/32/553107432.db2.gz	TXZLCDROOJZZHK-UHFFFAOYSA-N	1	0	369.429	1.442	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC(=O)N1	ZINC000599751812	553137839	/nfs/dbraw/zinc/13/78/39/553137839.db2.gz	PCZYUZYATGMMAE-NVXWUHKLSA-N	1	0	354.454	1.576	20	30		FDEDRO
N#CCCCOc1cccnc1NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O	ZINC000599774806	553144321	/nfs/dbraw/zinc/14/43/21/553144321.db2.gz	UDSJRQKSVWXXPJ-AWEZNQCLSA-N	1	0	374.445	1.225	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)cc1	ZINC000599884376	553167192	/nfs/dbraw/zinc/16/71/92/553167192.db2.gz	TVWLUVMHXZETKI-UHFFFAOYSA-N	1	0	364.405	1.490	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1	ZINC000599898165	553170621	/nfs/dbraw/zinc/17/06/21/553170621.db2.gz	BOXNNPFRLDVYTD-CMPLNLGQSA-N	1	0	372.322	1.622	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1	ZINC000599899149	553170977	/nfs/dbraw/zinc/17/09/77/553170977.db2.gz	IVINMWHOQJCDLT-AAEUAGOBSA-N	1	0	354.332	1.482	20	30		FDEDRO
N#Cc1cccc(-c2csc(NC(=O)C(=O)NCCOCCC[NH3+])n2)c1	ZINC000599901096	553171536	/nfs/dbraw/zinc/17/15/36/553171536.db2.gz	UJOCDMKLTZLLOP-UHFFFAOYSA-N	1	0	373.438	1.102	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(F)cc1C#N	ZINC000599936701	553177764	/nfs/dbraw/zinc/17/77/64/553177764.db2.gz	AEULPGYNSFRBMO-DZGCQCFKSA-N	1	0	360.389	1.387	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(F)cc1C#N	ZINC000599955901	553184590	/nfs/dbraw/zinc/18/45/90/553184590.db2.gz	LQNORESTQKSOPL-CMPLNLGQSA-N	1	0	360.389	1.386	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c(F)cc1C#N	ZINC000599956022	553184637	/nfs/dbraw/zinc/18/46/37/553184637.db2.gz	UNUAYMRNHHJKSP-NSHDSACASA-N	1	0	364.421	1.737	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c(F)cc1C#N	ZINC000599979564	553191760	/nfs/dbraw/zinc/19/17/60/553191760.db2.gz	FXGNDCGFGFTJCB-ZDUSSCGKSA-N	1	0	362.405	1.586	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H](CNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000600031133	553205181	/nfs/dbraw/zinc/20/51/81/553205181.db2.gz	KGROSOIUMJPOBW-AWEZNQCLSA-N	1	0	359.474	1.901	20	30		FDEDRO
CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)Nc2sccc2C#N)CC1	ZINC000600047136	553208028	/nfs/dbraw/zinc/20/80/28/553208028.db2.gz	IDZGAYQJUDGAJJ-UHFFFAOYSA-N	1	0	362.455	1.272	20	30		FDEDRO
COCC(=O)Nc1cccc(C[NH2+]C[C@H](O)COc2ccccc2C#N)c1	ZINC000600720134	553306611	/nfs/dbraw/zinc/30/66/11/553306611.db2.gz	YCRNRCQHXSAKES-SFHVURJKSA-N	1	0	369.421	1.673	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCNC(=O)c1ccccc1Cl	ZINC000600717344	553306737	/nfs/dbraw/zinc/30/67/37/553306737.db2.gz	KHKAPEOQQPFMID-HNNXBMFYSA-N	1	0	373.840	1.971	20	30		FDEDRO
CN(C)C(=O)c1cccc(C[NH2+]C[C@H](O)COc2ccccc2C#N)c1	ZINC000600719856	553306771	/nfs/dbraw/zinc/30/67/71/553306771.db2.gz	VFTIXUHFRFAATL-SFHVURJKSA-N	1	0	353.422	1.790	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]CCNc2nccc(C(F)(F)F)n2)CCOCC1	ZINC000600721579	553307046	/nfs/dbraw/zinc/30/70/46/553307046.db2.gz	BULUXMHWYKZKSY-GFCCVEGCSA-N	1	0	373.379	1.568	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]Cc2cccc(OCCN3CCOCC3)c2)CC1	ZINC000600723159	553307720	/nfs/dbraw/zinc/30/77/20/553307720.db2.gz	WDZAGXBFCWKDOK-SFHVURJKSA-N	1	0	359.470	1.542	20	30		FDEDRO
CC(C)OCCN1CCC([NH2+]C[C@H](O)CC2(C#N)CCOCC2)CC1	ZINC000600730461	553308521	/nfs/dbraw/zinc/30/85/21/553308521.db2.gz	OYZIUFUOPULZBL-GOSISDBHSA-N	1	0	353.507	1.537	20	30		FDEDRO
C[C@@H]1[C@H]([NH2+]C[C@H](O)CC2(C#N)CCOCC2)CC(=O)N1Cc1ccccc1	ZINC000600737874	553309389	/nfs/dbraw/zinc/30/93/89/553309389.db2.gz	XEAKFSQDUFLTIL-BHIYHBOVSA-N	1	0	371.481	1.837	20	30		FDEDRO
COc1ccc(CN2CC[C@@H]([NH2+]C[C@@H](O)CC3(C#N)CC3)C2=O)c(OC)c1	ZINC000600739792	553309546	/nfs/dbraw/zinc/30/95/46/553309546.db2.gz	FVWKFRKOYNHTOK-DOTOQJQBSA-N	1	0	373.453	1.449	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H](CO)Cc1ccc(F)cc1	ZINC000600738309	553309693	/nfs/dbraw/zinc/30/96/93/553309693.db2.gz	JQCHBNHIGOMCIP-VQIMIIECSA-N	1	0	358.413	1.878	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]C[C@@H](O)COc2ccccc2Br)CC1	ZINC000600746167	553310303	/nfs/dbraw/zinc/31/03/03/553310303.db2.gz	UMLMYLNOURLXKS-QWHCGFSZSA-N	1	0	369.259	1.833	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H](n1cccn1)C(F)(F)F	ZINC000600749397	553311032	/nfs/dbraw/zinc/31/10/32/553311032.db2.gz	XPSCDBAGPCWYNQ-UKRRQHHQSA-N	1	0	354.332	1.888	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1=O	ZINC000600762336	553312506	/nfs/dbraw/zinc/31/25/06/553312506.db2.gz	QRPUFPVOYHCHDT-ZFWWWQNUSA-N	1	0	368.840	1.380	20	30		FDEDRO
N#Cc1ccc(OC2CC[NH+](C[C@@H](O)CC3(O)CCOCC3)CC2)cc1	ZINC000600847307	553321338	/nfs/dbraw/zinc/32/13/38/553321338.db2.gz	ZCAANDKNLYMERZ-KRWDZBQOSA-N	1	0	360.454	1.694	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)c1cnn(CC[NH+](C)C)c1	ZINC000600991366	553336341	/nfs/dbraw/zinc/33/63/41/553336341.db2.gz	VAZLQWLPYQZRGX-UHFFFAOYSA-N	1	0	355.442	1.605	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[C@H](C)N1CC#N	ZINC000601489696	553419453	/nfs/dbraw/zinc/41/94/53/553419453.db2.gz	IVJMWGNAMLHJRP-GJZGRUSLSA-N	1	0	350.488	1.355	20	30		FDEDRO
Cc1ccc(C[N@H+]2CC[C@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C2)cc1	ZINC000601517615	553426135	/nfs/dbraw/zinc/42/61/35/553426135.db2.gz	BIJCNCIHYKNRMD-WBVHZDCISA-N	1	0	350.488	1.638	20	30		FDEDRO
C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCN(CCC#N)CC2)CC1	ZINC000601588331	553441136	/nfs/dbraw/zinc/44/11/36/553441136.db2.gz	XVEXJIMSIKIQHM-KRWDZBQOSA-N	1	0	370.501	1.848	20	30		FDEDRO
C[C@](O)(C[C@H](O)C[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CC1	ZINC000601962770	553496679	/nfs/dbraw/zinc/49/66/79/553496679.db2.gz	APYHHFJPVLMDLW-NSHGMRRFSA-N	1	0	357.454	1.161	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]CCC1(O)CCN(c2ccccc2)CC1	ZINC000601969409	553497671	/nfs/dbraw/zinc/49/76/71/553497671.db2.gz	QVCOINUJIWBLIO-LJQANCHMSA-N	1	0	360.502	1.204	20	30		FDEDRO
COC(=O)c1ccc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)n1C	ZINC000602003071	553500560	/nfs/dbraw/zinc/50/05/60/553500560.db2.gz	QMTFLODJGYPVBF-UHFFFAOYSA-N	1	0	353.426	1.837	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1cc(F)cc(C#N)c1	ZINC000602023929	553502595	/nfs/dbraw/zinc/50/25/95/553502595.db2.gz	NJEVLYNPBIHUKU-UHFFFAOYSA-N	1	0	369.400	1.621	20	30		FDEDRO
C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CCC(CC#N)CC3)cn2)CC1	ZINC000602040296	553506263	/nfs/dbraw/zinc/50/62/63/553506263.db2.gz	YHOZRQNTKHXWIB-UHFFFAOYSA-N	1	0	358.446	1.241	20	30		FDEDRO
CSC1(CNC(=O)C(=O)Nc2cc(F)cc(C#N)c2)CC[NH+](C)CC1	ZINC000602048438	553507784	/nfs/dbraw/zinc/50/77/84/553507784.db2.gz	MICVDQNMTCUDTM-UHFFFAOYSA-N	1	0	364.446	1.579	20	30		FDEDRO
CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)Nc2cc(F)cc(C#N)c2)CC1	ZINC000602051850	553508635	/nfs/dbraw/zinc/50/86/35/553508635.db2.gz	HGMFCZOSZXHUEE-UHFFFAOYSA-N	1	0	374.416	1.349	20	30		FDEDRO
N#CCCN1CCN(C(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)CC1	ZINC000602202300	553539116	/nfs/dbraw/zinc/53/91/16/553539116.db2.gz	FAZYJBXSHZGVLM-FQEVSTJZSA-N	1	0	354.498	1.999	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)N2CCN(CCC#N)CC2)C[N@@H+]1Cc1ccccc1	ZINC000602274481	553554375	/nfs/dbraw/zinc/55/43/75/553554375.db2.gz	RUWSOUGGXBWWLZ-IEBWSBKVSA-N	1	0	355.486	1.890	20	30		FDEDRO
COc1cccc([C@@H]([NH3+])C(=O)N2CCN(c3ccsc3C#N)CC2)c1	ZINC000602518168	553596944	/nfs/dbraw/zinc/59/69/44/553596944.db2.gz	LIUPLVLNAWFMAV-QGZVFWFLSA-N	1	0	356.451	1.977	20	30		FDEDRO
N#Cc1cccc(C[NH2+]CCN2CCN(C(=O)C3CCCCC3)CC2)n1	ZINC000602545656	553603561	/nfs/dbraw/zinc/60/35/61/553603561.db2.gz	ICDMOYZQPZCYKY-UHFFFAOYSA-N	1	0	355.486	1.767	20	30		FDEDRO
Cc1c(C(=O)N2CCc3c(CC#N)cccc3C2)nnn1C1CC[NH2+]CC1	ZINC000602578198	553607496	/nfs/dbraw/zinc/60/74/96/553607496.db2.gz	WIUOKBFBYHWKTL-UHFFFAOYSA-N	1	0	364.453	1.776	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3cccnc3)C2)CC1	ZINC000602857425	553652825	/nfs/dbraw/zinc/65/28/25/553652825.db2.gz	WQWVRKIDVPDGNN-UXHICEINSA-N	1	0	369.513	1.953	20	30		FDEDRO
C[C@H](Cc1c(F)cccc1F)NC(=O)CN1C[C@@H](C)N(CC#N)[C@@H](C)C1	ZINC000602867627	553655291	/nfs/dbraw/zinc/65/52/91/553655291.db2.gz	ZFOSWVRAZXIPPL-KFWWJZLASA-N	1	0	364.440	1.930	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@H](n4ccnn4)CC3)C2=O)cc1	ZINC000602887597	553660492	/nfs/dbraw/zinc/66/04/92/553660492.db2.gz	IAZUJQJQTUFUAJ-ROUUACIJSA-N	1	0	350.426	1.982	20	30		FDEDRO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@@](O)(C[NH+](C)C)C1	ZINC000602891139	553661636	/nfs/dbraw/zinc/66/16/36/553661636.db2.gz	LAAMJHREUVDKNC-FZKQIMNGSA-N	1	0	364.877	1.927	20	30		FDEDRO
CC[N@H+](CC(=O)N(CCC#N)CCC#N)[C@@H]1CCN(CC(F)(F)F)C1	ZINC000602892580	553662298	/nfs/dbraw/zinc/66/22/98/553662298.db2.gz	QCRCWJHFTNMEQV-CQSZACIVSA-N	1	0	359.396	1.601	20	30		FDEDRO
COC(=O)CCN1CC[C@@H]([NH+]2CCC(Nc3ccccc3C#N)CC2)C1=O	ZINC000602901915	553664799	/nfs/dbraw/zinc/66/47/99/553664799.db2.gz	RPMXXOCXZPGXBN-GOSISDBHSA-N	1	0	370.453	1.599	20	30		FDEDRO
C[C@]1(CO)C[C@@H](O)C[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000602906828	553665937	/nfs/dbraw/zinc/66/59/37/553665937.db2.gz	LFAFANXTFPHXHP-KZULUSFZSA-N	1	0	363.483	1.645	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1	ZINC000602922731	553669804	/nfs/dbraw/zinc/66/98/04/553669804.db2.gz	CRKXOVGUWMOFFZ-IOMROCGXSA-N	1	0	368.433	1.616	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@](COC)(C(=O)OC(C)(C)C)C1	ZINC000602960816	553681423	/nfs/dbraw/zinc/68/14/23/553681423.db2.gz	IUSNBFRNBHTJNL-BEFAXECRSA-N	1	0	367.490	1.675	20	30		FDEDRO
CCC1([NH+](C)C)CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1	ZINC000602966425	553682521	/nfs/dbraw/zinc/68/25/21/553682521.db2.gz	FHWGBLKAMQNGLO-GOSISDBHSA-N	1	0	363.550	1.485	20	30		FDEDRO
N#CCCN(C(=O)C[NH+]1CCC(CCO)(CCO)CC1)c1ccccc1	ZINC000602966473	553682569	/nfs/dbraw/zinc/68/25/69/553682569.db2.gz	GRWZSCXAJDLMTJ-UHFFFAOYSA-N	1	0	359.470	1.780	20	30		FDEDRO
N#Cc1ccc(N2CCC(C(=O)N[C@H](CO)C[NH+]3CCCC3)CC2)c(F)c1	ZINC000603052143	553701855	/nfs/dbraw/zinc/70/18/55/553701855.db2.gz	IAMCCUIEXGYKFB-KRWDZBQOSA-N	1	0	374.460	1.487	20	30		FDEDRO
N#Cc1cc(F)cc(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1	ZINC000603080092	553706161	/nfs/dbraw/zinc/70/61/61/553706161.db2.gz	HVEXIPDMQSATBD-UHFFFAOYSA-N	1	0	359.405	1.469	20	30		FDEDRO
Cc1cc(NC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)ncc1C#N	ZINC000603121514	553712996	/nfs/dbraw/zinc/71/29/96/553712996.db2.gz	WBJSZSSPXSJGMA-UHFFFAOYSA-N	1	0	365.441	1.730	20	30		FDEDRO
Cc1ccccc1C[N@@H+]1CCCN(C(=O)Cn2cc(CCC#N)nn2)CC1	ZINC000603217361	553734767	/nfs/dbraw/zinc/73/47/67/553734767.db2.gz	DVPFVDUNHJLJOX-UHFFFAOYSA-N	1	0	366.469	1.777	20	30		FDEDRO
CC1CC[NH+](CCCNc2ccc(C#N)cc2CS(N)(=O)=O)CC1	ZINC000603271792	553749514	/nfs/dbraw/zinc/74/95/14/553749514.db2.gz	DUJRKYOBRYZVSK-UHFFFAOYSA-N	1	0	350.488	1.881	20	30		FDEDRO
CC(C)(C)CC[NH+]1CCN(c2ccc(C#N)cc2CS(N)(=O)=O)CC1	ZINC000603275925	553750411	/nfs/dbraw/zinc/75/04/11/553750411.db2.gz	CMKJBZUBWQURHV-UHFFFAOYSA-N	1	0	364.515	1.905	20	30		FDEDRO
C[C@H]1COCC[C@@H]1S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000603278537	553751669	/nfs/dbraw/zinc/75/16/69/553751669.db2.gz	YGHQTSLSUUSKRC-YJBOKZPZSA-N	1	0	365.499	1.677	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(c3ccc(C#N)cc3COCCOC)C2)CC1	ZINC000603292518	553756732	/nfs/dbraw/zinc/75/67/32/553756732.db2.gz	RPKFMBZJNJGYHA-HXUWFJFHSA-N	1	0	372.513	1.937	20	30		FDEDRO
C[NH+]1CCC([C@@H]2CCN(c3ccc(C#N)cc3CS(N)(=O)=O)C2)CC1	ZINC000603322916	553764470	/nfs/dbraw/zinc/76/44/70/553764470.db2.gz	YENWFTLWYFIOFC-MRXNPFEDSA-N	1	0	362.499	1.515	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1N1CCC(O)(C[NH+]2CCOCC2)CC1	ZINC000603333266	553765710	/nfs/dbraw/zinc/76/57/10/553765710.db2.gz	LCEZHTRWFDHMOW-UHFFFAOYSA-N	1	0	367.453	1.407	20	30		FDEDRO
C[C@]1(C#N)CCCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1	ZINC000603436613	553788409	/nfs/dbraw/zinc/78/84/09/553788409.db2.gz	QQJVLYSBNHVTTO-IEBWSBKVSA-N	1	0	363.506	1.118	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)nc1	ZINC000604290554	553859445	/nfs/dbraw/zinc/85/94/45/553859445.db2.gz	ZOMHMGNGFAOJOJ-IRXDYDNUSA-N	1	0	354.458	1.412	20	30		FDEDRO
CC[NH+](CC)C[C@H](C)NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000604461086	553879151	/nfs/dbraw/zinc/87/91/51/553879151.db2.gz	GFUOXVFULFBFKH-AWEZNQCLSA-N	1	0	374.489	1.986	20	30		FDEDRO
CC[NH+]1CCN(CCCNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC1	ZINC000609112777	554338656	/nfs/dbraw/zinc/33/86/56/554338656.db2.gz	TZXCDAXJMLSZOJ-FQEVSTJZSA-N	1	0	369.513	1.671	20	30		FDEDRO
N#Cc1ccc(OC2CC[NH+](C[C@H](O)COC[C@@H]3CCCO3)CC2)cc1	ZINC000609147518	554343243	/nfs/dbraw/zinc/34/32/43/554343243.db2.gz	ZSARTLKLHAPTBV-PXNSSMCTSA-N	1	0	360.454	1.958	20	30		FDEDRO
N#CC1CCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC1	ZINC000609150713	554343688	/nfs/dbraw/zinc/34/36/88/554343688.db2.gz	WFRAOWZBWKTCAE-UHFFFAOYSA-N	1	0	371.489	1.324	20	30		FDEDRO
CN(C(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[C@H]1CC[N@@H+](C2CC2)C1	ZINC000609533504	554389147	/nfs/dbraw/zinc/38/91/47/554389147.db2.gz	RDSPMMTZTPMNGC-KRWDZBQOSA-N	1	0	350.426	1.635	20	30		FDEDRO
N#CCCn1cc(C[NH2+]C[C@H]2CCS(=O)(=O)C2)c(-c2ccccc2)n1	ZINC000609598466	554399405	/nfs/dbraw/zinc/39/94/05/554399405.db2.gz	LPRJCXLVOVMFQL-OAHLLOKOSA-N	1	0	358.467	1.988	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(CCC[NH+]2CCN([C@H](C#N)C(C)C)CC2)CC1	ZINC000610133163	554465842	/nfs/dbraw/zinc/46/58/42/554465842.db2.gz	HWYKVIUBIJYVLA-NHCUHLMSSA-N	1	0	374.577	1.708	20	30		FDEDRO
N#Cc1cccc(-c2nnc(CN3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)o2)c1	ZINC000610368639	554496342	/nfs/dbraw/zinc/49/63/42/554496342.db2.gz	LUHGHQHFWINJOF-IRXDYDNUSA-N	1	0	353.426	1.639	20	30		FDEDRO
CC[NH+]1CCN(CC(=O)N[C@H](C#N)c2ccccc2Br)CC1	ZINC000610429107	554504809	/nfs/dbraw/zinc/50/48/09/554504809.db2.gz	SMRKCAFOONOJSR-OAHLLOKOSA-N	1	0	365.275	1.767	20	30		FDEDRO
C[NH+](C)C1CCN(CCNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC1	ZINC000610503613	554519811	/nfs/dbraw/zinc/51/98/11/554519811.db2.gz	NSUBTTKPSHKMGY-FQEVSTJZSA-N	1	0	369.513	1.669	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1	ZINC000610869594	554572813	/nfs/dbraw/zinc/57/28/13/554572813.db2.gz	VJZAADNOVWVOIQ-UHFFFAOYSA-N	1	0	360.377	1.736	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000610995520	554592278	/nfs/dbraw/zinc/59/22/78/554592278.db2.gz	SEXCHINVRWYLRV-VURPSTOHSA-N	1	0	373.497	1.676	20	30		FDEDRO
CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@H](O)COc3ccc(CC#N)cc3)[C@H]2C1	ZINC000611110066	554606449	/nfs/dbraw/zinc/60/64/49/554606449.db2.gz	WMPLXIBBLLLQNP-RNQOJCNYSA-N	1	0	360.454	1.761	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2F)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000611209875	554615495	/nfs/dbraw/zinc/61/54/95/554615495.db2.gz	LJSBJWIARUPPEY-BEFAXECRSA-N	1	0	373.476	1.865	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H](n3ccnc3)C2)CC1	ZINC000611371599	554629169	/nfs/dbraw/zinc/62/91/69/554629169.db2.gz	CMOUKDZTDABCCS-ZWKOTPCHSA-N	1	0	358.490	1.212	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCc3ccc(O)cc3CC2)CC1	ZINC000611372542	554629254	/nfs/dbraw/zinc/62/92/54/554629254.db2.gz	HTLCCFLZGHKWTB-FQEVSTJZSA-N	1	0	370.497	1.485	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1	ZINC000611703952	554668775	/nfs/dbraw/zinc/66/87/75/554668775.db2.gz	BIHRSWQFBTYEQZ-HXUWFJFHSA-N	1	0	373.497	1.730	20	30		FDEDRO
C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cc(N(C)C)cc[nH+]1	ZINC000612346749	554765014	/nfs/dbraw/zinc/76/50/14/554765014.db2.gz	XDDJRHRLXXXDQT-GFCCVEGCSA-N	1	0	373.438	1.325	20	30		FDEDRO
C=CCn1cc(C(=O)N(C[C@@H](O)CC(C)(C)C)C2CC[NH+](C)CC2)nn1	ZINC000614443750	555053195	/nfs/dbraw/zinc/05/31/95/555053195.db2.gz	ZEYBLNCGFIJHIZ-INIZCTEOSA-N	1	0	363.506	1.798	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2CC)c1	ZINC000614601745	555077964	/nfs/dbraw/zinc/07/79/64/555077964.db2.gz	ANJFGIILPODWDR-HNNXBMFYSA-N	1	0	351.472	1.365	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC[N@@H+]1CC(C)(C)O	ZINC000614904260	555135375	/nfs/dbraw/zinc/13/53/75/555135375.db2.gz	VUXNSOQHIRVZPW-APWZRJJASA-N	1	0	370.497	1.831	20	30		FDEDRO
Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CC[C@@](F)(C#N)C2)CC1	ZINC000615637231	555223951	/nfs/dbraw/zinc/22/39/51/555223951.db2.gz	GGRWXWDPECLYOT-HXUWFJFHSA-N	1	0	358.461	1.967	20	30		FDEDRO
C[C@@H]1CN(CC[N@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)C[C@H](C)O1	ZINC000619052058	555717408	/nfs/dbraw/zinc/71/74/08/555717408.db2.gz	LYAFCOGLDIBOQD-ZIFCJYIRSA-N	1	0	361.486	1.533	20	30		FDEDRO
CC(C)(CO)[NH+]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1	ZINC000619073197	555721362	/nfs/dbraw/zinc/72/13/62/555721362.db2.gz	MJOOVVUYYWUTCP-UHFFFAOYSA-N	1	0	368.485	1.747	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](C)C3CC[NH+](C)CC3)CC2)o1	ZINC000619436291	555776311	/nfs/dbraw/zinc/77/63/11/555776311.db2.gz	REAUEKYXWZKZFV-ZDUSSCGKSA-N	1	0	359.474	1.918	20	30		FDEDRO
COC1CC[NH+](C2(CNC(=O)[C@H](C)n3cnc(C#N)n3)CCCC2)CC1	ZINC000619591415	555805130	/nfs/dbraw/zinc/80/51/30/555805130.db2.gz	COFUGDFWUTUMJR-AWEZNQCLSA-N	1	0	360.462	1.251	20	30		FDEDRO
C[C@H](C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)n1cnc(C#N)n1	ZINC000619596139	555806094	/nfs/dbraw/zinc/80/60/94/555806094.db2.gz	UQSBNYHJAMRGEN-OAHLLOKOSA-N	1	0	360.462	1.110	20	30		FDEDRO
C[C@@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)n1cnc(C#N)n1	ZINC000619614659	555809635	/nfs/dbraw/zinc/80/96/35/555809635.db2.gz	JQHOUKJSGMXVNX-KBPBESRZSA-N	1	0	353.430	1.448	20	30		FDEDRO
C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2ccc(C#N)c(Cl)c2)cn1	ZINC000619838658	555842452	/nfs/dbraw/zinc/84/24/52/555842452.db2.gz	ZZDVFKZBWCPVSN-UHFFFAOYSA-N	1	0	374.832	1.225	20	30		FDEDRO
C=CCCOCC(=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1	ZINC000620995529	556017421	/nfs/dbraw/zinc/01/74/21/556017421.db2.gz	IGWNLDPMMWELRO-UHFFFAOYSA-N	1	0	365.518	1.810	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[NH2+][C@]1(CO)CCc2ccccc21	ZINC000625260907	556756951	/nfs/dbraw/zinc/75/69/51/556756951.db2.gz	DNVVDXLFAFGTIQ-QFIPXVFZSA-N	1	0	360.413	1.710	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)C(C)C	ZINC000625557673	556852851	/nfs/dbraw/zinc/85/28/51/556852851.db2.gz	QKWZOMVVJCODAF-SJLPKXTDSA-N	1	0	373.501	1.588	20	30		FDEDRO
C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1C[C@@H](C(N)=O)C1	ZINC000626038610	556979765	/nfs/dbraw/zinc/97/97/65/556979765.db2.gz	UFPVVWHWNQUYQE-OTVXOJSOSA-N	1	0	367.371	1.369	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2	ZINC000626818030	557178054	/nfs/dbraw/zinc/17/80/54/557178054.db2.gz	AUXYLQKWYHKKBM-UHFFFAOYSA-N	1	0	369.421	1.957	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1	ZINC000626888288	557215145	/nfs/dbraw/zinc/21/51/45/557215145.db2.gz	KTKLTJAAQRFBSA-SWLSCSKDSA-N	1	0	359.430	1.189	20	30		FDEDRO
C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCc1cn(C)nn1	ZINC000629107713	557727204	/nfs/dbraw/zinc/72/72/04/557727204.db2.gz	NGBLXTWHAXEJSL-UHFFFAOYSA-N	1	0	361.519	1.956	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1	ZINC000632508178	558167885	/nfs/dbraw/zinc/16/78/85/558167885.db2.gz	XFHDHMNMMGMCIT-QGZVFWFLSA-N	1	0	364.534	1.333	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](n2cncn2)C(F)(F)F)CC1	ZINC000632986712	558237523	/nfs/dbraw/zinc/23/75/23/558237523.db2.gz	ICJDQRVCIVCKQB-ZDUSSCGKSA-N	1	0	360.384	1.721	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CNc2ccc(S(C)(=O)=O)cc2)CC1	ZINC000635531928	558714736	/nfs/dbraw/zinc/71/47/36/558714736.db2.gz	WTYGCXSGCUJCFV-UHFFFAOYSA-N	1	0	351.472	1.269	20	30		FDEDRO
C[C@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)N(C)CCC#N	ZINC000271825468	674385611	/nfs/dbraw/zinc/38/56/11/674385611.db2.gz	OLQYOWURYXZCED-KBPBESRZSA-N	1	0	366.487	1.348	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1	ZINC000271861147	674389936	/nfs/dbraw/zinc/38/99/36/674389936.db2.gz	UFVSWNNKFLTILI-CABCVRRESA-N	1	0	365.499	1.834	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	ZINC000636730231	567987528	/nfs/dbraw/zinc/98/75/28/567987528.db2.gz	URJKKWGKDYZDEI-UHFFFAOYSA-N	1	0	352.523	1.237	20	30		FDEDRO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1	ZINC000652674420	568730381	/nfs/dbraw/zinc/73/03/81/568730381.db2.gz	WKIOGCMBZDBAHA-FGTMMUONSA-N	1	0	359.470	1.112	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@H](C)CC(=O)Nc1ccc(OC)cc1OC	ZINC000272832549	674478933	/nfs/dbraw/zinc/47/89/33/674478933.db2.gz	IBWNJMDMDAIUEH-CYBMUJFWSA-N	1	0	370.471	1.611	20	30		FDEDRO
C#CC[N@H+](C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)[C@@H]1CCc2ccccc21	ZINC000819701442	607442089	/nfs/dbraw/zinc/44/20/89/607442089.db2.gz	HOEHXRLUBSKGKS-RDTXWAMCSA-N	1	0	374.452	1.728	20	30		FDEDRO
N#CCC[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1	ZINC000826381535	607708194	/nfs/dbraw/zinc/70/81/94/607708194.db2.gz	PLAWEEMLQKWRFZ-BBRMVZONSA-N	1	0	363.429	1.740	20	30		FDEDRO
C=CC[C@@H](CO)[NH2+]Cc1ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c1	ZINC000273355880	674530615	/nfs/dbraw/zinc/53/06/15/674530615.db2.gz	BVDMUIXNKYEKLP-HOCLYGCPSA-N	1	0	350.459	1.967	20	30		FDEDRO
C[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1cccc(-c2nn[nH]n2)c1	ZINC000824570996	608489678	/nfs/dbraw/zinc/48/96/78/608489678.db2.gz	PDDWBIHVCAJSKV-DYVFJYSZSA-N	1	0	364.409	1.829	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC000825865844	609203751	/nfs/dbraw/zinc/20/37/51/609203751.db2.gz	MYQZJNQCLWKPLI-UHFFFAOYSA-N	1	0	364.413	1.270	20	30		FDEDRO
C=C(C)COCC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1	ZINC000823877735	609340671	/nfs/dbraw/zinc/34/06/71/609340671.db2.gz	DRFJLDOYWYJLLQ-UHFFFAOYSA-N	1	0	353.430	1.950	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)cc1	ZINC000274530019	674593274	/nfs/dbraw/zinc/59/32/74/674593274.db2.gz	UFYCTMYNMBBDHO-INIZCTEOSA-N	1	0	363.483	1.201	20	30		FDEDRO
C=C(Cl)CNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1	ZINC000274532956	674593343	/nfs/dbraw/zinc/59/33/43/674593343.db2.gz	PYYNIZSZEASPPD-UHFFFAOYSA-N	1	0	350.850	1.636	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2cccnc2C#N)C[C@H]1[NH+]1CCCC1	ZINC000277003109	674829834	/nfs/dbraw/zinc/82/98/34/674829834.db2.gz	IDLNDVGMCSXVGB-KGLIPLIRSA-N	1	0	352.485	1.154	20	30		FDEDRO
CN(C)c1ncc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)s1	ZINC000277144436	674869009	/nfs/dbraw/zinc/86/90/09/674869009.db2.gz	FDDQQQWGDVFBAA-MRXNPFEDSA-N	1	0	355.467	1.971	20	30		FDEDRO
Cc1cc(S(=O)(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)ccc1C#N	ZINC000278083575	675090610	/nfs/dbraw/zinc/09/06/10/675090610.db2.gz	VAOZEXXIWXADAV-GOSISDBHSA-N	1	0	364.515	1.417	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](C)[NH+]2CCCC2)cc1	ZINC000046408772	671005266	/nfs/dbraw/zinc/00/52/66/671005266.db2.gz	CBGLZWRDCOCXPQ-CQSZACIVSA-N	1	0	351.472	1.365	20	30		FDEDRO
C=C(C)CNC(=S)NNC(=O)CC[NH+]1CCN(c2ccccc2)CC1	ZINC000047367839	671032485	/nfs/dbraw/zinc/03/24/85/671032485.db2.gz	CFNGLQOHQFOVHU-UHFFFAOYSA-N	1	0	361.515	1.270	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)NCCC[NH+](CC)CC)cc1	ZINC000055170910	671229084	/nfs/dbraw/zinc/22/90/84/671229084.db2.gz	PNDBWYHLKYDMQM-UHFFFAOYSA-N	1	0	351.472	1.060	20	30		FDEDRO
C[NH+]=C(NCCNS(=O)(=O)c1ccc(C)cc1)N1CCC[C@@H](C)C1	ZINC000072876038	671397082	/nfs/dbraw/zinc/39/70/82/671397082.db2.gz	ZQNPYDRGKFJEPN-OAHLLOKOSA-N	1	0	352.504	1.581	20	30		FDEDRO
N#CCCCCNC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1	ZINC000286938668	675910446	/nfs/dbraw/zinc/91/04/46/675910446.db2.gz	DXFNDSJJXBWSKE-OAHLLOKOSA-N	1	0	362.499	1.886	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)CC1	ZINC000287493789	675917277	/nfs/dbraw/zinc/91/72/77/675917277.db2.gz	ZTJSQRNWVXKAPU-CYBMUJFWSA-N	1	0	364.471	1.978	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cc(S(=O)(=O)NC)oc1C	ZINC000121280861	671701976	/nfs/dbraw/zinc/70/19/76/671701976.db2.gz	OVYJDLUIKWFRRW-LBPRGKRZSA-N	1	0	356.444	1.387	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)CS(=O)(=O)NC1CCC(C)CC1	ZINC000121570680	671707444	/nfs/dbraw/zinc/70/74/44/671707444.db2.gz	KCJNZPCVWQOYRD-CGZBRXJRSA-N	1	0	372.531	1.761	20	30		FDEDRO
[NH2+]=C(NC[C@]1(CCO)CCOC1)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000126138416	671756066	/nfs/dbraw/zinc/75/60/66/671756066.db2.gz	LJKDXOIQVXYNCC-SFHVURJKSA-N	1	0	366.893	1.566	20	30		FDEDRO
CO[C@H](CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12)C(C)(C)C	ZINC000133966094	671824812	/nfs/dbraw/zinc/82/48/12/671824812.db2.gz	VJQMUXUFAMGYFW-ZIAGYGMSSA-N	1	0	354.495	1.928	20	30		FDEDRO
CC(C)Oc1ccc(NC(=[NH2+])NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)cc1	ZINC000134109378	671826085	/nfs/dbraw/zinc/82/60/85/671826085.db2.gz	XZRCVSSOXFHXKL-CJNGLKHVSA-N	1	0	368.503	1.918	20	30		FDEDRO
NC(=NOCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(F)c(F)c1	ZINC000151337908	671863506	/nfs/dbraw/zinc/86/35/06/671863506.db2.gz	HHUJXWDEEDIYGZ-UHFFFAOYSA-N	1	0	352.385	1.345	20	30		FDEDRO
C[NH+]=C(NCCNS(=O)(=O)c1cccs1)N1C[C@H](C)C[C@@H](C)C1	ZINC000151636917	671869637	/nfs/dbraw/zinc/86/96/37/671869637.db2.gz	UDBGSXQYZXLUJZ-CHWSQXEVSA-N	1	0	358.533	1.580	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1(C)C)N(C)Cc1cc(Cl)cn1C	ZINC000179207096	672156238	/nfs/dbraw/zinc/15/62/38/672156238.db2.gz	QVSPXIXCQZEUJS-UHFFFAOYSA-N	1	0	355.914	1.797	20	30		FDEDRO
CCCCCCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000195423548	672404062	/nfs/dbraw/zinc/40/40/62/672404062.db2.gz	SPSWVFIMJZBMIH-INIZCTEOSA-N	1	0	359.536	1.525	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CCN(C[C@H]2CCOC2)CC1	ZINC000245730593	672461159	/nfs/dbraw/zinc/46/11/59/672461159.db2.gz	RTONAEFGOPLSLL-TWMKSMIVSA-N	1	0	350.507	1.029	20	30		FDEDRO
C[C@@]1(O)CCC[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1	ZINC000245864171	672467319	/nfs/dbraw/zinc/46/73/19/672467319.db2.gz	IIKUNELTJVHJRB-CRAIPNDOSA-N	1	0	362.499	1.304	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CN(CC)CC(F)(F)F)C1	ZINC000246131612	672495779	/nfs/dbraw/zinc/49/57/79/672495779.db2.gz	FGBUSIUZEYTJCB-OLZOCXBDSA-N	1	0	364.412	1.593	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)NC[C@](C)(O)c1cccs1	ZINC000261629107	672639508	/nfs/dbraw/zinc/63/95/08/672639508.db2.gz	CFIYPVSUMYUTFB-GUYCJALGSA-N	1	0	362.503	1.283	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(=[NH+]C)N2CCC(CC(=O)NC)CC2)C12CCC2	ZINC000261824531	672678923	/nfs/dbraw/zinc/67/89/23/672678923.db2.gz	UVXSUHGHENKNGI-JKSUJKDBSA-N	1	0	350.507	1.758	20	30		FDEDRO
C[NH+]=C(NCC1CCSCC1)N[C@@H]1CCc2nc(COC)nn2C1	ZINC000261938796	672697933	/nfs/dbraw/zinc/69/79/33/672697933.db2.gz	CZQZCSMZARAQKT-CYBMUJFWSA-N	1	0	352.508	1.048	20	30		FDEDRO
CC[NH+]=C(NCCN1CCSCC1)N1CC[C@H](C)[C@H](n2ccnc2)C1	ZINC000261944301	672698838	/nfs/dbraw/zinc/69/88/38/672698838.db2.gz	FHWFFVRZTYVBTK-DLBZAZTESA-N	1	0	364.563	1.780	20	30		FDEDRO
CC[NH+]=C(NCC1(O)CCCC1)N1CCN([C@@H](C)C(F)(F)F)CC1	ZINC000261957169	672702117	/nfs/dbraw/zinc/70/21/17/672702117.db2.gz	ZTXFAVKQJRFIJA-ZDUSSCGKSA-N	1	0	350.429	1.825	20	30		FDEDRO
C[NH+]=C(NCc1ccc(S(C)(=O)=O)cc1)N1CC[C@]2(CCOC2)C1	ZINC000261963038	672702996	/nfs/dbraw/zinc/70/29/96/672702996.db2.gz	KTULWGVYIBTYIV-KRWDZBQOSA-N	1	0	351.472	1.278	20	30		FDEDRO
CC[NH+]=C(NC[C@H](C)c1c(C)noc1C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261966565	672703647	/nfs/dbraw/zinc/70/36/47/672703647.db2.gz	LPNYTAIRZSZGII-LBPRGKRZSA-N	1	0	370.519	1.869	20	30		FDEDRO
[NH2+]=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)NCC1CCC1	ZINC000261980048	672706229	/nfs/dbraw/zinc/70/62/29/672706229.db2.gz	HSADZMNHCQJXQC-UHFFFAOYSA-N	1	0	350.488	1.676	20	30		FDEDRO
C[NH+]=C(NCC[S@](=O)C(C)(C)C)N1CC[C@H](C)[C@@H](n2ccnc2)C1	ZINC000261987184	672707476	/nfs/dbraw/zinc/70/74/76/672707476.db2.gz	QKJTWTBOYXKRCS-ISQRANHSSA-N	1	0	353.536	1.889	20	30		FDEDRO
[NH2+]=C(NC[C@H]1CCS(=O)(=O)C1)Nc1ccc(OC(F)(F)F)cc1	ZINC000262004551	672710604	/nfs/dbraw/zinc/71/06/04/672710604.db2.gz	RBWUZPHKHMRIPJ-SECBINFHSA-N	1	0	351.350	1.747	20	30		FDEDRO
C[NH+]=C(NCCN1CCCS1(=O)=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	ZINC000262262768	672757520	/nfs/dbraw/zinc/75/75/20/672757520.db2.gz	RMDBPHKMTQDAEA-ARFHVFGLSA-N	1	0	356.536	1.546	20	30		FDEDRO
[NH2+]=C(NCc1cccc(C(F)(F)F)c1)NC[C@@H]1CCCS(=O)(=O)C1	ZINC000262291388	672763149	/nfs/dbraw/zinc/76/31/49/672763149.db2.gz	HGNGGEGDRKDLRL-LBPRGKRZSA-N	1	0	363.405	1.935	20	30		FDEDRO
CN(C)C(=O)CNC(=[NH+]C1CCCC1)N1CCC[C@@]2(CCCOC2)C1	ZINC000262294185	672763478	/nfs/dbraw/zinc/76/34/78/672763478.db2.gz	MAERDPYBKGQOAZ-LJQANCHMSA-N	1	0	350.507	1.855	20	30		FDEDRO
CN(C)C(=O)CNC(NCc1cccs1)=[NH+][C@@H]1[C@H]2CCO[C@H]2C1(C)C	ZINC000262338134	672772823	/nfs/dbraw/zinc/77/28/23/672772823.db2.gz	WOSAHAALWZYKPS-FVQBIDKESA-N	1	0	364.515	1.685	20	30		FDEDRO
CN(CC1CCOCC1)C(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CCCC1	ZINC000262347310	672774426	/nfs/dbraw/zinc/77/44/26/672774426.db2.gz	DLWDFASSDVNWOM-INIZCTEOSA-N	1	0	371.547	1.668	20	30		FDEDRO
CC(C)C[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCSC(C)(C)C1	ZINC000262361719	672776615	/nfs/dbraw/zinc/77/66/15/672776615.db2.gz	GWPDPEGFJDCSOY-CQSZACIVSA-N	1	0	361.577	1.850	20	30		FDEDRO
C=CCNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](N2CCCCC2)C1	ZINC000262376550	672779093	/nfs/dbraw/zinc/77/90/93/672779093.db2.gz	JQSBVJTZYXEEOW-DLBZAZTESA-N	1	0	368.547	1.113	20	30		FDEDRO
C[NH+]=C(NCCc1c[nH]c2cc(F)ccc12)NC[C@@]1(O)CCSC1	ZINC000262390656	672781903	/nfs/dbraw/zinc/78/19/03/672781903.db2.gz	MEBDDJQBJJGUPZ-KRWDZBQOSA-N	1	0	350.463	1.883	20	30		FDEDRO
CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@H]([C@H]2CCOC2)C1	ZINC000262396963	672782691	/nfs/dbraw/zinc/78/26/91/672782691.db2.gz	NCHXUGIWJOABJG-JYJNAYRXSA-N	1	0	357.520	1.135	20	30		FDEDRO
O=S1(=O)CC[C@@H](CNC(NCC2CCOCC2)=[NH+]C2CCCC2)C1	ZINC000262398954	672783054	/nfs/dbraw/zinc/78/30/54/672783054.db2.gz	NJBLAAVHOGUBLZ-HNNXBMFYSA-N	1	0	357.520	1.326	20	30		FDEDRO
C[C@@H]1CCCN(C(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C[C@@H]2CCOC2)C1	ZINC000262401250	672783344	/nfs/dbraw/zinc/78/33/44/672783344.db2.gz	NTGHZPUXLANCOD-OWCLPIDISA-N	1	0	357.520	1.135	20	30		FDEDRO
CC[C@@H]1CN(C(NC[C@H]2CCS(=O)(=O)C2)=[NH+]CC(C)C)CCS1	ZINC000262403847	672783695	/nfs/dbraw/zinc/78/36/95/672783695.db2.gz	OEURLWBNJMKWDG-HUUCEWRRSA-N	1	0	361.577	1.850	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCOC2(CCC2)C1	ZINC000262439043	672789922	/nfs/dbraw/zinc/78/99/22/672789922.db2.gz	UJCTUKMFPIRFIE-LSDHHAIUSA-N	1	0	357.520	1.466	20	30		FDEDRO
C[C@@H]1CCCC[C@@H]1[NH+]=C(NC[C@H]1CCCO1)NC[C@@H]1CCS(=O)(=O)C1	ZINC000262448663	672791031	/nfs/dbraw/zinc/79/10/31/672791031.db2.gz	VPWFOXRPIIWUDU-TWMKSMIVSA-N	1	0	371.547	1.714	20	30		FDEDRO
C=C(C)CNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CCS[C@@H](CC)C1	ZINC000262470604	672795078	/nfs/dbraw/zinc/79/50/78/672795078.db2.gz	YXNGDCBUEROHJM-GJZGRUSLSA-N	1	0	359.561	1.770	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)NC(C)C)N1CC[C@H](c2ccccc2C)C1	ZINC000262491062	672798368	/nfs/dbraw/zinc/79/83/68/672798368.db2.gz	UYHBWMKTGIFMDW-INIZCTEOSA-N	1	0	366.531	1.688	20	30		FDEDRO
C[NH+]=C(NCCNS(C)(=O)=O)N1CCC(Cc2ccccc2)CC1	ZINC000262528765	672803513	/nfs/dbraw/zinc/80/35/13/672803513.db2.gz	HNFOBLUBHZCRPL-UHFFFAOYSA-N	1	0	352.504	1.066	20	30		FDEDRO
CC(C)(C)c1csc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)n1	ZINC000262527079	672803659	/nfs/dbraw/zinc/80/36/59/672803659.db2.gz	LPHNLJFAYODTTN-UHFFFAOYSA-N	1	0	359.503	1.868	20	30		FDEDRO
C#CCNC(NCc1nnc(-c2ccc(Br)cc2)[nH]1)=[NH+]CC	ZINC000262653477	672825793	/nfs/dbraw/zinc/82/57/93/672825793.db2.gz	WIQKOVHIUDHCES-UHFFFAOYSA-N	1	0	361.247	1.923	20	30		FDEDRO
CCCCNC(=[NH2+])NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1	ZINC000264084592	672900751	/nfs/dbraw/zinc/90/07/51/672900751.db2.gz	IPCZKAUNZBRIKG-OAHLLOKOSA-N	1	0	368.503	1.348	20	30		FDEDRO
CS(=O)(=O)NCCCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1	ZINC000264082415	672900801	/nfs/dbraw/zinc/90/08/01/672900801.db2.gz	HYBCHMIFJNJHPO-UHFFFAOYSA-N	1	0	354.354	1.251	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCCCN(C)CC(F)(F)F)cc1OC	ZINC000264091763	672901219	/nfs/dbraw/zinc/90/12/19/672901219.db2.gz	LDSBRZRFRCBYOY-UHFFFAOYSA-N	1	0	362.396	1.992	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)CC1	ZINC000264497895	672914718	/nfs/dbraw/zinc/91/47/18/672914718.db2.gz	PMGSMWWVROZELX-ZDUSSCGKSA-N	1	0	369.462	1.259	20	30		FDEDRO
CN1CC[C@@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1=O	ZINC000265642865	672959313	/nfs/dbraw/zinc/95/93/13/672959313.db2.gz	KJFUXEXTLULROK-CQSZACIVSA-N	1	0	360.483	1.990	20	30		FDEDRO
C#CCSCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO	ZINC000267092817	673249067	/nfs/dbraw/zinc/24/90/67/673249067.db2.gz	UWVYXJXINXOHRF-ZWKOTPCHSA-N	1	0	361.511	1.535	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCCc1c[nH]c2ccc(Cl)cc12	ZINC000267428165	673302970	/nfs/dbraw/zinc/30/29/70/673302970.db2.gz	LZYHLHDRIJBQRZ-UHFFFAOYSA-N	1	0	363.893	1.990	20	30		FDEDRO
C#CCOc1ccc(C[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1	ZINC000289369484	676125968	/nfs/dbraw/zinc/12/59/68/676125968.db2.gz	LHUUXXZFAWKQAR-QGZVFWFLSA-N	1	0	350.484	1.802	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1	ZINC000280633276	675442968	/nfs/dbraw/zinc/44/29/68/675442968.db2.gz	TZBPIVCTUYFBCA-XJKSGUPXSA-N	1	0	354.857	1.962	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@H+](CC)CCOCCO)c(OC)c1	ZINC000282133148	675602911	/nfs/dbraw/zinc/60/29/11/675602911.db2.gz	RLBPXOAQGCBHIQ-KRWDZBQOSA-N	1	0	353.459	1.494	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1	ZINC000282803162	675641579	/nfs/dbraw/zinc/64/15/79/675641579.db2.gz	YOYZSUUNDSYSOU-HUUCEWRRSA-N	1	0	370.544	1.886	20	30		FDEDRO
CC[NH+](CC)[C@H](CNS(=O)(=O)N(C)C[C@H](C)C#N)c1ccccc1	ZINC000282963314	675644246	/nfs/dbraw/zinc/64/42/46/675644246.db2.gz	WGEXMBHYNJLSGK-NVXWUHKLSA-N	1	0	352.504	1.995	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1	ZINC000282967626	675644639	/nfs/dbraw/zinc/64/46/39/675644639.db2.gz	WLASPYHWEDGHKP-WBVHZDCISA-N	1	0	350.488	1.749	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2c(F)cccc2F)CC1	ZINC000284090523	675671454	/nfs/dbraw/zinc/67/14/54/675671454.db2.gz	SPNOFOZKZUADKH-LBPRGKRZSA-N	1	0	351.397	1.909	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(F)c(F)c2)CC1	ZINC000284219397	675675758	/nfs/dbraw/zinc/67/57/58/675675758.db2.gz	YLDHDFTZCFARJZ-UHFFFAOYSA-N	1	0	351.397	1.738	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C	ZINC000284456056	675714830	/nfs/dbraw/zinc/71/48/30/675714830.db2.gz	QDCHWYSIYLLTIZ-YCPHGPKFSA-N	1	0	365.499	1.564	20	30		FDEDRO
CCS(=O)(=O)NCCC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1	ZINC000286038956	675864389	/nfs/dbraw/zinc/86/43/89/675864389.db2.gz	KKZRSJNNYRGRFR-UHFFFAOYSA-N	1	0	350.488	1.446	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1sc(C)nc1CC(C)C	ZINC000293252729	676340292	/nfs/dbraw/zinc/34/02/92/676340292.db2.gz	DNOTWDJFOPMXIF-UHFFFAOYSA-N	1	0	350.488	1.660	20	30		FDEDRO
CC#CC[N@H+](C)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl	ZINC000293280502	676342271	/nfs/dbraw/zinc/34/22/71/676342271.db2.gz	VLHKUIIRRIFGOQ-UHFFFAOYSA-N	1	0	371.890	1.874	20	30		FDEDRO
C#CCN(C)CCCNC(=O)[C@H](C)CS(=O)(=O)c1ccc(OC)cc1	ZINC000294120552	676375876	/nfs/dbraw/zinc/37/58/76/676375876.db2.gz	ZQXGRRNQFBWQGV-OAHLLOKOSA-N	1	0	366.483	1.176	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCc1ccc(O)c(Br)c1	ZINC000297090344	676423667	/nfs/dbraw/zinc/42/36/67/676423667.db2.gz	ZXSZPIXXAZZRFW-UHFFFAOYSA-N	1	0	354.248	1.909	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C)[C@H]([NH3+])[C@@H]2C)c1	ZINC000297432764	676426183	/nfs/dbraw/zinc/42/61/83/676426183.db2.gz	TWKVNASIUXJNAD-XEZPLFJOSA-N	1	0	351.472	1.349	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)NCC(=O)NCC(F)(F)F)C(C)C	ZINC000298986613	676509611	/nfs/dbraw/zinc/50/96/11/676509611.db2.gz	HWWYKTJZXXHVNJ-ZDUSSCGKSA-N	1	0	364.412	1.663	20	30		FDEDRO
CC(C)CCC[C@@H](C)NC(=[NH2+])NCCc1ccc(S(N)(=O)=O)cc1	ZINC000303702794	676542528	/nfs/dbraw/zinc/54/25/28/676542528.db2.gz	IZGWYFGRYVAMDJ-CQSZACIVSA-N	1	0	354.520	1.996	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NCc1ccccc1S(=O)(=O)N1CCCCC1	ZINC000303774312	676542919	/nfs/dbraw/zinc/54/29/19/676542919.db2.gz	FUWYXQJZTNFUMT-CQSZACIVSA-N	1	0	368.503	1.300	20	30		FDEDRO
C[NH+]=C(NCCCSc1ccc(F)cc1)NCCN1CCOCC1	ZINC000303786535	676543145	/nfs/dbraw/zinc/54/31/45/676543145.db2.gz	RNDWPMPNYRGBDV-UHFFFAOYSA-N	1	0	354.495	1.805	20	30		FDEDRO
CN(CCNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)CC(F)(F)F	ZINC000304760681	676544564	/nfs/dbraw/zinc/54/45/64/676544564.db2.gz	SUSJHZKGRMGWAP-UHFFFAOYSA-N	1	0	367.416	1.348	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCC2(SC)CCOCC2)CC1	ZINC000304808276	676544817	/nfs/dbraw/zinc/54/48/17/676544817.db2.gz	ULYUFGXXXXOWTM-UHFFFAOYSA-N	1	0	358.508	1.424	20	30		FDEDRO
[NH2+]=C(NCCCO[C@H]1CCOC1)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000305025199	676544847	/nfs/dbraw/zinc/54/48/47/676544847.db2.gz	PCWWZWXIMYDJEG-KRWDZBQOSA-N	1	0	366.893	1.972	20	30		FDEDRO
CCc1nncn1CCNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1	ZINC000304810159	676544867	/nfs/dbraw/zinc/54/48/67/676544867.db2.gz	WDILOWIABUBRMM-UHFFFAOYSA-N	1	0	361.881	1.631	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1	ZINC000328185170	676598102	/nfs/dbraw/zinc/59/81/02/676598102.db2.gz	OKJASCXSSKUABT-UHFFFAOYSA-N	1	0	359.835	1.790	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC(=O)N1C	ZINC000328698853	676602929	/nfs/dbraw/zinc/60/29/29/676602929.db2.gz	HUMORUYPJFCLBV-CQSZACIVSA-N	1	0	354.520	1.425	20	30		FDEDRO
CC[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)CC[N@@H+]1CCOC	ZINC000328719575	676603909	/nfs/dbraw/zinc/60/39/09/676603909.db2.gz	VROKCHMMWXYDBG-HUUCEWRRSA-N	1	0	352.479	1.985	20	30		FDEDRO
CN1C(=O)NC2(CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)C1=O	ZINC000328883281	676610677	/nfs/dbraw/zinc/61/06/77/676610677.db2.gz	NFSWFQVCWQLULQ-UHFFFAOYSA-N	1	0	361.427	1.818	20	30		FDEDRO
CN1CCO[C@@H]2CCN(CC(=O)Nc3nnc(C(C)(C)C)s3)C[C@@H]21	ZINC000328924142	676612352	/nfs/dbraw/zinc/61/23/52/676612352.db2.gz	VHBGUWKZDJFYGZ-NWDGAFQWSA-N	1	0	353.492	1.829	20	30		FDEDRO
CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1	ZINC000328952765	676613511	/nfs/dbraw/zinc/61/35/11/676613511.db2.gz	IAARZBFWSMTHEC-OLZOCXBDSA-N	1	0	350.467	1.790	20	30		FDEDRO
CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CCOC3(CCSCC3)C2)[N@H+](C)C1	ZINC000328968346	676614159	/nfs/dbraw/zinc/61/41/59/676614159.db2.gz	AIFMBJYKYAFQNK-JYJNAYRXSA-N	1	0	371.547	1.996	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O	ZINC000328968326	676614184	/nfs/dbraw/zinc/61/41/84/676614184.db2.gz	AHCXVNBZKXXRHO-VGYBTVITSA-N	1	0	351.491	1.635	20	30		FDEDRO
C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000329036758	676616724	/nfs/dbraw/zinc/61/67/24/676616724.db2.gz	NAYRMQOPCJIDMQ-GJGATLCTSA-N	1	0	351.491	1.779	20	30		FDEDRO
C[N@@H+]1CC[C@H]2OCCN(CC(=O)Nc3nnc(C(C)(C)C)s3)[C@@H]2C1	ZINC000329043620	676617075	/nfs/dbraw/zinc/61/70/75/676617075.db2.gz	UEUQDFROXLWRQE-VXGBXAGGSA-N	1	0	353.492	1.829	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CN(C)S(=O)(=O)c1cccnc1	ZINC000329048822	676617520	/nfs/dbraw/zinc/61/75/20/676617520.db2.gz	KEUAHIRIOYACAO-CABCVRRESA-N	1	0	368.503	1.779	20	30		FDEDRO
CN1CCO[C@H](CNC(=O)CCn2cc(Br)ccc2=O)C1	ZINC000329055588	676617754	/nfs/dbraw/zinc/61/77/54/676617754.db2.gz	MAYJTVLSDQHBAO-GFCCVEGCSA-N	1	0	358.236	1.288	20	30		FDEDRO
COCCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1CCS(=O)(=O)C1	ZINC000329136340	676622059	/nfs/dbraw/zinc/62/20/59/676622059.db2.gz	CSJHADVGZPJUCN-UYTSQGDYSA-N	1	0	373.519	1.051	20	30		FDEDRO
CC1CC[NH+](C[C@H](O)CNC(=O)[C@@H]2COCCN2C2CCCC2)CC1	ZINC000329288807	676631180	/nfs/dbraw/zinc/63/11/80/676631180.db2.gz	PWDMCQFQPRYXAU-MSOLQXFVSA-N	1	0	353.507	1.679	20	30		FDEDRO
CCN(CC)C(=O)N1CCC(C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1	ZINC000329375924	676635996	/nfs/dbraw/zinc/63/59/96/676635996.db2.gz	OAXRJJDHZYNVJU-INIZCTEOSA-N	1	0	353.511	1.363	20	30		FDEDRO
O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCC[NH+]1CCSCC1	ZINC000329421208	676637834	/nfs/dbraw/zinc/63/78/34/676637834.db2.gz	HDCJZJCPXIQXOD-ZIAGYGMSSA-N	1	0	353.488	1.557	20	30		FDEDRO
Cc1noc([C@H](NC(=O)N(C)CC[NH+]2CCCC2)C2CCOCC2)n1	ZINC000329508163	676641766	/nfs/dbraw/zinc/64/17/66/676641766.db2.gz	LYCGUKNMWFLQFU-OAHLLOKOSA-N	1	0	351.451	1.787	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCOC3(CCOCC3)C2)[C@H](C)C1	ZINC000329575287	676644830	/nfs/dbraw/zinc/64/48/30/676644830.db2.gz	VNNIQPKVDUJLHQ-OWCLPIDISA-N	1	0	355.479	1.016	20	30		FDEDRO
Cc1ccnc(N2CCN(C(=O)NC[C@H]3CCCCS3(=O)=O)CC2)c1	ZINC000329647959	676647778	/nfs/dbraw/zinc/64/77/78/676647778.db2.gz	JVXDLDXJRYMGTQ-OAHLLOKOSA-N	1	0	366.487	1.393	20	30		FDEDRO
C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1cccc(N2CCCS2(=O)=O)c1	ZINC000329695266	676649870	/nfs/dbraw/zinc/64/98/70/676649870.db2.gz	XLBGRZWDYYQAJB-KBPBESRZSA-N	1	0	366.487	1.796	20	30		FDEDRO
CN(CC1CC[NH+](C)CC1)C(=O)NC1CCC2(CC1)NC(=O)NC2=O	ZINC000329697296	676649997	/nfs/dbraw/zinc/64/99/97/676649997.db2.gz	FBDZCZIXAWMPMP-UHFFFAOYSA-N	1	0	351.451	1.740	20	30		FDEDRO
Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000329700893	676650303	/nfs/dbraw/zinc/65/03/03/676650303.db2.gz	HDJRKHSQJRWQNX-XHVZSJERSA-N	1	0	358.464	1.397	20	30		FDEDRO
O=C(N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)N1CC[N@@H+]2CCCC[C@H]2C1	ZINC000329709135	676650752	/nfs/dbraw/zinc/65/07/52/676650752.db2.gz	MTRDYOLRWSICJM-CABCVRRESA-N	1	0	370.519	1.027	20	30		FDEDRO
O=C(NC[C@@H]1CCCCS1(=O)=O)N1CCC[N@@H+](C2CCCC2)CC1	ZINC000329721656	676651659	/nfs/dbraw/zinc/65/16/59/676651659.db2.gz	CBUVFPKYOUOPRK-INIZCTEOSA-N	1	0	357.520	1.818	20	30		FDEDRO
C[C@H](NC(=O)N1CCS(=O)(=O)[C@H](C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000329773000	676654936	/nfs/dbraw/zinc/65/49/36/676654936.db2.gz	LDFNSIBSBLUWPY-ILXRZTDVSA-N	1	0	357.520	1.672	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCS(=O)(=O)C(C)(C)C2)C1	ZINC000329820283	676659175	/nfs/dbraw/zinc/65/91/75/676659175.db2.gz	PLJDLTWWLDHMHW-OAHLLOKOSA-N	1	0	359.536	1.777	20	30		FDEDRO
Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)no1	ZINC000329980378	676666927	/nfs/dbraw/zinc/66/69/27/676666927.db2.gz	LFVUWHIIIVPHPH-QEJZJMRPSA-N	1	0	351.426	1.874	20	30		FDEDRO
CC(C)(CC[NH+]1CCCCCC1)NC(=O)CN1CCS(=O)(=O)CC1	ZINC000330016115	676668753	/nfs/dbraw/zinc/66/87/53/676668753.db2.gz	PBGWWFUTWTVDDG-UHFFFAOYSA-N	1	0	359.536	1.718	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)Nc2ccnn2C[C@@H]2CCOC2)CCSC1	ZINC000330082479	676671744	/nfs/dbraw/zinc/67/17/44/676671744.db2.gz	QCHMVTQDUTUUPC-BBRMVZONSA-N	1	0	353.492	1.683	20	30		FDEDRO
O=C(CCN1C(=O)CCC1=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000330210524	676678659	/nfs/dbraw/zinc/67/86/59/676678659.db2.gz	IKCXXPAUDVGBAD-HUUCEWRRSA-N	1	0	351.447	1.250	20	30		FDEDRO
O=C(CCN1C(=O)CCC1=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000330210523	676678670	/nfs/dbraw/zinc/67/86/70/676678670.db2.gz	IKCXXPAUDVGBAD-CABCVRRESA-N	1	0	351.447	1.250	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)C1	ZINC000330260696	676681782	/nfs/dbraw/zinc/68/17/82/676681782.db2.gz	ONTJMVQQQKNODM-KLHDSHLOSA-N	1	0	357.520	1.672	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1	ZINC000330381967	676687392	/nfs/dbraw/zinc/68/73/92/676687392.db2.gz	WQCZFQSFDXKHFL-SOLBZPMBSA-N	1	0	364.515	1.965	20	30		FDEDRO
CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@H](S(C)(=O)=O)C2)CC1	ZINC000330427259	676689890	/nfs/dbraw/zinc/68/98/90/676689890.db2.gz	TUWKSIACCQXTOS-INIZCTEOSA-N	1	0	359.536	1.777	20	30		FDEDRO
C[NH+](C)[C@@H]1CCCN(C(=O)NCc2cccc(NS(C)(=O)=O)c2)C1	ZINC000330639028	676699175	/nfs/dbraw/zinc/69/91/75/676699175.db2.gz	PAZCRMBKCRRKGH-OAHLLOKOSA-N	1	0	354.476	1.498	20	30		FDEDRO
CN(C)S(=O)(=O)c1ccccc1NC(=O)NCC1=CC[N@H+](C)CC1	ZINC000330685578	676700575	/nfs/dbraw/zinc/70/05/75/676700575.db2.gz	LMPAWWQNDPRNID-UHFFFAOYSA-N	1	0	352.460	1.525	20	30		FDEDRO
C[C@H](COc1cccc(F)c1)NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1	ZINC000330854292	676706595	/nfs/dbraw/zinc/70/65/95/676706595.db2.gz	OVIQVQHIUVXIQI-KFWWJZLASA-N	1	0	353.438	1.894	20	30		FDEDRO
C[N@H+](CCO)C1CCN(C(=O)Nc2ccccc2S(C)(=O)=O)CC1	ZINC000330853396	676706611	/nfs/dbraw/zinc/70/66/11/676706611.db2.gz	GMOJJDGOSKUUSC-UHFFFAOYSA-N	1	0	355.460	1.024	20	30		FDEDRO
COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O	ZINC000330924099	676710391	/nfs/dbraw/zinc/71/03/91/676710391.db2.gz	SYDVLEUELIWQQM-JONQDZQNSA-N	1	0	355.479	1.457	20	30		FDEDRO
C[C@@H]1CCC[C@](CNC(=O)N2CC[C@@H](CS(C)(=O)=O)C2)([NH+](C)C)C1	ZINC000331100875	676716679	/nfs/dbraw/zinc/71/66/79/676716679.db2.gz	FSQPHPCLKSOPOJ-INMHGKMJSA-N	1	0	359.536	1.777	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)C1	ZINC000331175459	676719939	/nfs/dbraw/zinc/71/99/39/676719939.db2.gz	JSPFBHPDINBGGI-BZUAXINKSA-N	1	0	374.551	1.471	20	30		FDEDRO
CCOC(=O)c1cnc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)n1C	ZINC000331245786	676723731	/nfs/dbraw/zinc/72/37/31/676723731.db2.gz	SJPWTBMTLAQGOE-CHWSQXEVSA-N	1	0	351.451	1.947	20	30		FDEDRO
CN([C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1)S(=O)(=O)CCC#N	ZINC000331323005	676727225	/nfs/dbraw/zinc/72/72/25/676727225.db2.gz	LMXFHTRHFZLOQG-IAGOWNOFSA-N	1	0	356.536	1.499	20	30		FDEDRO
Cc1cc(S(N)(=O)=O)ccc1CNC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C	ZINC000331339140	676728137	/nfs/dbraw/zinc/72/81/37/676728137.db2.gz	MIEKDASREYYWLU-INIZCTEOSA-N	1	0	368.503	1.328	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CC[NH+](CC2CCOCC2)CC1	ZINC000333510913	676769823	/nfs/dbraw/zinc/76/98/23/676769823.db2.gz	XQJYAGUCBGUUTR-QZTJIDSGSA-N	1	0	351.491	1.721	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN2CCOC[C@@H]2C1)C(C)C	ZINC000364883131	677059773	/nfs/dbraw/zinc/05/97/73/677059773.db2.gz	OHEDQWCHPXEIQW-ROUUACIJSA-N	1	0	350.507	1.411	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)[C@@]2([NH+](C)C)CCCSC2)n1	ZINC000366731662	677463406	/nfs/dbraw/zinc/46/34/06/677463406.db2.gz	UOZGUAWUHHPASM-GOSISDBHSA-N	1	0	364.515	1.319	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C	ZINC000369965235	677531845	/nfs/dbraw/zinc/53/18/45/677531845.db2.gz	WZAFFHGRULJRRO-SFNKJDCFSA-N	1	0	350.507	1.520	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1	ZINC000370179833	677550165	/nfs/dbraw/zinc/55/01/65/677550165.db2.gz	APIKJOGAAXXTTD-IKGGRYGDSA-N	1	0	356.536	1.909	20	30		FDEDRO
C=CCOCC[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000370357224	677568897	/nfs/dbraw/zinc/56/88/97/677568897.db2.gz	JGJRYLIPDFEJFH-UHFFFAOYSA-N	1	0	354.472	1.641	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21	ZINC000370843046	677619708	/nfs/dbraw/zinc/61/97/08/677619708.db2.gz	LNAJDFWGKUBQKD-BRWVUGGUSA-N	1	0	363.483	1.739	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000371624832	677745023	/nfs/dbraw/zinc/74/50/23/677745023.db2.gz	PBOMDZPEWMMTDI-AEFFLSMTSA-N	1	0	352.500	1.466	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)Nc1cnn(CC[NH+]2CCCCC2)c1	ZINC000373154802	678038816	/nfs/dbraw/zinc/03/88/16/678038816.db2.gz	QKJXIBJUWASLAB-UHFFFAOYSA-N	1	0	365.503	1.343	20	30		FDEDRO
CN(CC(=O)NC1(C#N)CCC1)C[C@@H]1C[C@H](F)CN1Cc1nccs1	ZINC000373408551	678062188	/nfs/dbraw/zinc/06/21/88/678062188.db2.gz	YMANQBDBRZFXST-KBPBESRZSA-N	1	0	365.478	1.550	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000374231149	678074825	/nfs/dbraw/zinc/07/48/25/678074825.db2.gz	UQSYNVOZGKKYGE-MLGOLLRUSA-N	1	0	362.861	1.991	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1	ZINC000374454317	678081775	/nfs/dbraw/zinc/08/17/75/678081775.db2.gz	VLZXWCAHVOYJGZ-NUJGCVRESA-N	1	0	364.515	1.823	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1	ZINC000374462934	678083209	/nfs/dbraw/zinc/08/32/09/678083209.db2.gz	QCYWARQBAXHORA-DOTOQJQBSA-N	1	0	350.488	1.529	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@H]1CCN(C(C)=O)Cc2cc(F)ccc21	ZINC000375078616	678094334	/nfs/dbraw/zinc/09/43/34/678094334.db2.gz	JTLRSEFCPXDHRS-KRWDZBQOSA-N	1	0	354.447	1.809	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000376648615	678354564	/nfs/dbraw/zinc/35/45/64/678354564.db2.gz	KGGPEWAYIYDVEX-WMZOPIPTSA-N	1	0	364.515	1.824	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000409502385	678854206	/nfs/dbraw/zinc/85/42/06/678854206.db2.gz	PJKJZFHDZUGFBW-DJIMGWMZSA-N	1	0	372.535	1.070	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](C(=O)N(CC)CC(F)(F)F)C2)C1=O	ZINC000410388891	678892293	/nfs/dbraw/zinc/89/22/93/678892293.db2.gz	MDRXUGIRYREXBL-UONOGXRCSA-N	1	0	361.408	1.896	20	30		FDEDRO
Cc1ccccc1[C@H]([C@H](C)NS(=O)(=O)N(C)C[C@@H](C)C#N)[NH+](C)C	ZINC000410408716	678894136	/nfs/dbraw/zinc/89/41/36/678894136.db2.gz	PDTKWGAHOHAQPJ-QRTARXTBSA-N	1	0	352.504	1.912	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1	ZINC000410430711	678896616	/nfs/dbraw/zinc/89/66/16/678896616.db2.gz	FZYJCDORCRKYBC-IAGOWNOFSA-N	1	0	350.507	1.038	20	30		FDEDRO
C[N@H+](CCC(=O)Nc1sccc1C#N)C(C)(C)CN1CCOCC1	ZINC000412097993	679155944	/nfs/dbraw/zinc/15/59/44/679155944.db2.gz	WKRGBRFGVBKJSB-UHFFFAOYSA-N	1	0	350.488	1.991	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N[C@@H](C(N)=O)c1cccc(Br)c1	ZINC000424109080	680830292	/nfs/dbraw/zinc/83/02/92/680830292.db2.gz	AMBGNJYHNCRNRM-VXGBXAGGSA-N	1	0	353.220	1.113	20	30		FDEDRO
CC(C)CNS(=O)(=O)c1ccc(CNC(=O)[C@H]([NH3+])CCCC#N)cc1	ZINC000424165939	680831205	/nfs/dbraw/zinc/83/12/05/680831205.db2.gz	FRPUDYWKCPDYGV-MRXNPFEDSA-N	1	0	366.487	1.258	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1	ZINC000414896730	679373080	/nfs/dbraw/zinc/37/30/80/679373080.db2.gz	PTOJMJPPRBFSON-KBPBESRZSA-N	1	0	366.487	1.707	20	30		FDEDRO
CC(C)([NH3+])CNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	ZINC000414917179	679373863	/nfs/dbraw/zinc/37/38/63/679373863.db2.gz	UYDSSMIOPXBFOI-UHFFFAOYSA-N	1	0	362.484	2.561	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1	ZINC000415164032	679385260	/nfs/dbraw/zinc/38/52/60/679385260.db2.gz	CHPXZIBVAXZXKW-UHFFFAOYSA-N	1	0	359.348	1.764	20	30		FDEDRO
C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)C1	ZINC000415292041	679403338	/nfs/dbraw/zinc/40/33/38/679403338.db2.gz	AVTAVVBSFOVTKQ-ZDUSSCGKSA-N	1	0	355.423	1.441	20	30		FDEDRO
C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000415523099	679444706	/nfs/dbraw/zinc/44/47/06/679444706.db2.gz	MZOOEVJXBSHCIP-MWLCHTKSSA-N	1	0	352.341	1.294	20	30		FDEDRO
C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000415527499	679445206	/nfs/dbraw/zinc/44/52/06/679445206.db2.gz	RFWZDSRULIUDKI-NXEZZACHSA-N	1	0	354.332	1.711	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)[C@@H](C)C[NH2+]1	ZINC000415564019	679453188	/nfs/dbraw/zinc/45/31/88/679453188.db2.gz	NXHJZYLUUAADAH-UWVGGRQHSA-N	1	0	365.231	1.468	20	30		FDEDRO
N#CCc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(Cl)c1	ZINC000415578906	679457320	/nfs/dbraw/zinc/45/73/20/679457320.db2.gz	JGJNCBJWZFXYNH-KCQAQPDRSA-N	1	0	360.845	1.930	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH3+]	ZINC000415815656	679512722	/nfs/dbraw/zinc/51/27/22/679512722.db2.gz	WRZJEWPMGNPMOM-UWVGGRQHSA-N	1	0	370.247	1.804	20	30		FDEDRO
C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)C1	ZINC000416391966	679600324	/nfs/dbraw/zinc/60/03/24/679600324.db2.gz	RMSMHJJCSSMJGC-LLVKDONJSA-N	1	0	372.288	1.893	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@@H](C[NH3+])CC(C)C)CC2)c1C#N	ZINC000418448463	680067242	/nfs/dbraw/zinc/06/72/42/680067242.db2.gz	SAJXFMJFLQHZRI-CYBMUJFWSA-N	1	0	350.492	1.528	20	30		FDEDRO
CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000419123001	680194356	/nfs/dbraw/zinc/19/43/56/680194356.db2.gz	XPXLJZQMOCRYCL-CQSZACIVSA-N	1	0	355.360	1.273	20	30		FDEDRO
C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000420421130	680444499	/nfs/dbraw/zinc/44/44/99/680444499.db2.gz	FPHNJZLDKWMXAY-TVQRCGJNSA-N	1	0	358.261	1.597	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC[C@H]1[NH3+]	ZINC000420448951	680456838	/nfs/dbraw/zinc/45/68/38/680456838.db2.gz	JXBPLGGMZIMNAW-NOZJJQNGSA-N	1	0	358.261	1.679	20	30		FDEDRO
CC(C)(C)[C@H](C[NH3+])NS(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000420450177	680457521	/nfs/dbraw/zinc/45/75/21/680457521.db2.gz	OUHOVNZIFVEXSX-LBPRGKRZSA-N	1	0	360.277	1.972	20	30		FDEDRO
C[N@H+](CCCSCC#N)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000421036004	680592225	/nfs/dbraw/zinc/59/22/25/680592225.db2.gz	ZUOZCWLBDPVULS-UHFFFAOYSA-N	1	0	372.472	1.452	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CS[C@H](C)C1)C(C)C	ZINC000421740002	680674248	/nfs/dbraw/zinc/67/42/48/680674248.db2.gz	GKFIVJPQHQAYCY-BZUAXINKSA-N	1	0	353.532	1.811	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c1	ZINC000425047984	680870796	/nfs/dbraw/zinc/87/07/96/680870796.db2.gz	NKDFNIFISHDIKZ-DOTOQJQBSA-N	1	0	363.483	1.317	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1	ZINC000425859515	680936979	/nfs/dbraw/zinc/93/69/79/680936979.db2.gz	RUPIINVVYJKNMD-BZSNNMDCSA-N	1	0	350.507	1.389	20	30		FDEDRO
N#CC1(NC(=O)C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)CCCCC1	ZINC000426141616	680948767	/nfs/dbraw/zinc/94/87/67/680948767.db2.gz	WRERJELKSMDSLE-GFCCVEGCSA-N	1	0	360.380	1.329	20	30		FDEDRO
C[C@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)C(=O)N(C)CCC#N	ZINC000428798701	681014673	/nfs/dbraw/zinc/01/46/73/681014673.db2.gz	BTTXLIMOLPRIMC-FZMZJTMJSA-N	1	0	354.248	1.833	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O	ZINC000429721871	681046063	/nfs/dbraw/zinc/04/60/63/681046063.db2.gz	HWJWQRCRSUMNRR-HUUCEWRRSA-N	1	0	367.471	1.396	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C	ZINC000430401652	681075368	/nfs/dbraw/zinc/07/53/68/681075368.db2.gz	CLRZBSYOEKUUOD-TWMKSMIVSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1	ZINC000430406682	681075538	/nfs/dbraw/zinc/07/55/38/681075538.db2.gz	MLFZJXSROZIPSJ-PVAVHDDUSA-N	1	0	351.491	1.273	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)s2)C1	ZINC000435433191	681593289	/nfs/dbraw/zinc/59/32/89/681593289.db2.gz	QTHGAERMQATJOT-CYBMUJFWSA-N	1	0	357.501	1.741	20	30		FDEDRO
CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)N(C)CCC#N	ZINC000439226803	681915735	/nfs/dbraw/zinc/91/57/35/681915735.db2.gz	WWLQTHKRROBBDS-GOSISDBHSA-N	1	0	364.515	1.921	20	30		FDEDRO
COC(=O)CC1([NH2+]CCOc2ccc(C#N)cc2)CCS(=O)(=O)CC1	ZINC000439265786	681919092	/nfs/dbraw/zinc/91/90/92/681919092.db2.gz	OAVHTKQBSCUKKU-UHFFFAOYSA-N	1	0	366.439	1.037	20	30		FDEDRO
C[NH+](C)C[C@@H](O)COc1ccc(NS(=O)(=O)CCCCC#N)cc1	ZINC000443185565	682246473	/nfs/dbraw/zinc/24/64/73/682246473.db2.gz	YXDNGBABCBXWNZ-OAHLLOKOSA-N	1	0	355.460	1.423	20	30		FDEDRO
C[NH+](C)[C@@]1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CCSC1	ZINC000443367931	682288198	/nfs/dbraw/zinc/28/81/98/682288198.db2.gz	DWKFCNSLJQFMFF-CQSZACIVSA-N	1	0	370.456	1.182	20	30		FDEDRO
Cc1cc(C[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)ccc1C#N	ZINC000443985623	682370393	/nfs/dbraw/zinc/37/03/93/682370393.db2.gz	HWMDUDIWVYBEAP-QGZVFWFLSA-N	1	0	351.472	1.445	20	30		FDEDRO
C[C@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000448176686	682599716	/nfs/dbraw/zinc/59/97/16/682599716.db2.gz	JHRFJCYAUVGAOS-XHDPSFHLSA-N	1	0	352.416	1.652	20	30		FDEDRO
C[N@H+](CCNC(=O)COc1cccc(Br)c1C#N)C1CC1	ZINC000449806660	682713307	/nfs/dbraw/zinc/71/33/07/682713307.db2.gz	SCBLUUXONXIPDO-UHFFFAOYSA-N	1	0	352.232	1.910	20	30		FDEDRO
CC[C@H](CO)[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000451155448	682830008	/nfs/dbraw/zinc/83/00/08/682830008.db2.gz	BMWKZBCATIFCID-HUUCEWRRSA-N	1	0	350.488	1.160	20	30		FDEDRO
N#CCC1(CS(=O)(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1	ZINC000451380476	682874190	/nfs/dbraw/zinc/87/41/90/682874190.db2.gz	CGBUIDWZXBAGGK-KRWDZBQOSA-N	1	0	363.483	1.366	20	30		FDEDRO
CCO[C@@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C[C@H]1C	ZINC000451542704	682898124	/nfs/dbraw/zinc/89/81/24/682898124.db2.gz	OAAWCQGGBJOUFL-FGTMMUONSA-N	1	0	350.507	1.426	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)NCC(=O)Nc1cccc(Cl)c1C	ZINC000451601885	682904917	/nfs/dbraw/zinc/90/49/17/682904917.db2.gz	CBSKBUITHZAYEG-CABCVRRESA-N	1	0	351.834	1.636	20	30		FDEDRO
N#Cc1ncc(NC(=O)NCCCC[N@H+]2CCC[C@@H]2CO)cc1Cl	ZINC000455799431	683502883	/nfs/dbraw/zinc/50/28/83/683502883.db2.gz	XWVVDUCXLMQZBP-CYBMUJFWSA-N	1	0	351.838	1.965	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1	ZINC000459039050	684359898	/nfs/dbraw/zinc/35/98/98/684359898.db2.gz	HRLFACMMHDIJCG-MSOLQXFVSA-N	1	0	350.507	1.389	20	30		FDEDRO
C=C(CC)CNC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	ZINC000459070283	684363839	/nfs/dbraw/zinc/36/38/39/684363839.db2.gz	GBWYEDMBIBMJAQ-UHFFFAOYSA-N	1	0	350.507	1.976	20	30		FDEDRO
C[C@@H](CN(C)CCS(=O)(=O)c1ccc(C#N)cn1)C(=O)OC(C)(C)C	ZINC000459823213	684463353	/nfs/dbraw/zinc/46/33/53/684463353.db2.gz	IPEUSYDFSNNXRV-ZDUSSCGKSA-N	1	0	367.471	1.637	20	30		FDEDRO
C[C@H](C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1)CS(C)(=O)=O	ZINC000466819056	684826669	/nfs/dbraw/zinc/82/66/69/684826669.db2.gz	IKHGPQXICHZASZ-CQSZACIVSA-N	1	0	363.483	1.889	20	30		FDEDRO
C[NH+](C)CCN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C1CC1	ZINC000476833006	685779065	/nfs/dbraw/zinc/77/90/65/685779065.db2.gz	ZBZHVEWBMSIGAO-UHFFFAOYSA-N	1	0	364.471	1.045	20	30		FDEDRO
C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)Cc2ccc(C#N)cc2F)C1	ZINC000480688308	686209032	/nfs/dbraw/zinc/20/90/32/686209032.db2.gz	HIFBSJQBBOPVQM-YOEHRIQHSA-N	1	0	351.447	1.943	20	30		FDEDRO
Cc1c(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cnn1C	ZINC000489124609	687079710	/nfs/dbraw/zinc/07/97/10/687079710.db2.gz	DIDSXSSIGGPBCK-UHFFFAOYSA-N	1	0	361.471	1.353	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(S(N)(=O)=O)s1)C(C)C	ZINC000498366060	687784214	/nfs/dbraw/zinc/78/42/14/687784214.db2.gz	HNLDVVSYRYIMND-CYBMUJFWSA-N	1	0	371.528	1.824	20	30		FDEDRO
C=CCN1CC[C@@H]([NH+]2CCC(C(=O)NCCc3cccs3)CC2)C1=O	ZINC000499493181	687959507	/nfs/dbraw/zinc/95/95/07/687959507.db2.gz	GTDJZYYHGCVSPT-QGZVFWFLSA-N	1	0	361.511	1.906	20	30		FDEDRO
N#CC1(CCC[N@H+](C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CCOCC1	ZINC000499581005	687967484	/nfs/dbraw/zinc/96/74/84/687967484.db2.gz	DXLYERKERRPWAS-IAGOWNOFSA-N	1	0	370.515	1.755	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCC[NH+]2CCCCCC2)cc1	ZINC000507252594	688623247	/nfs/dbraw/zinc/62/32/47/688623247.db2.gz	ADPXZGCHCOOSBF-UHFFFAOYSA-N	1	0	365.499	1.757	20	30		FDEDRO
CO[C@H]1C[C@@H]([N@H+](C)CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1	ZINC000510093007	689346154	/nfs/dbraw/zinc/34/61/54/689346154.db2.gz	DYEGAQLXZQDSCR-OWCLPIDISA-N	1	0	362.499	1.566	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N(C)CCC[N@H+](C)Cc1ccco1	ZINC000510683650	689409271	/nfs/dbraw/zinc/40/92/71/689409271.db2.gz	QUWYEBQQMBGFEZ-OAHLLOKOSA-N	1	0	356.492	1.760	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1	ZINC000510953682	689442088	/nfs/dbraw/zinc/44/20/88/689442088.db2.gz	RJEMIKXPOYVDEY-OLZOCXBDSA-N	1	0	362.396	1.528	20	30		FDEDRO
C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCN(S(C)(=O)=O)C1	ZINC000513891476	689708338	/nfs/dbraw/zinc/70/83/38/689708338.db2.gz	HPFGTVARFQZJMQ-OAHLLOKOSA-N	1	0	353.444	1.864	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N(CC[C@@H]2CC[NH2+]C2)C[C@@H]2CCCO2)cc1	ZINC000516862228	689998732	/nfs/dbraw/zinc/99/87/32/689998732.db2.gz	QCLPWCFNHAIMBA-IRXDYDNUSA-N	1	0	363.483	1.728	20	30		FDEDRO
CC1(C)COCCN1CC[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000517127426	690036277	/nfs/dbraw/zinc/03/62/77/690036277.db2.gz	LKLPFKOJPSKULP-UHFFFAOYSA-N	1	0	351.472	1.032	20	30		FDEDRO
COC1CC[NH+](C2(CNC(=O)N3CCO[C@H](C#N)C3)CCCC2)CC1	ZINC000517422380	690065248	/nfs/dbraw/zinc/06/52/48/690065248.db2.gz	UABFRUYHUCODPQ-MRXNPFEDSA-N	1	0	350.463	1.344	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1Cl	ZINC000521043573	690378691	/nfs/dbraw/zinc/37/86/91/690378691.db2.gz	CREYMYOOEUXAHH-CVEARBPZSA-N	1	0	369.874	1.729	20	30		FDEDRO
Cc1cc(S(=O)(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)ccc1C#N	ZINC000528059578	694698838	/nfs/dbraw/zinc/69/88/38/694698838.db2.gz	FKYDXJAMVGKDON-QGZVFWFLSA-N	1	0	363.483	1.646	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1	ZINC000528404296	694715507	/nfs/dbraw/zinc/71/55/07/694715507.db2.gz	ICRCVVJKIACEAL-HOCLYGCPSA-N	1	0	358.360	1.933	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2F)C1	ZINC000531095933	694820037	/nfs/dbraw/zinc/82/00/37/694820037.db2.gz	UZTWXMKUTINJKB-OAHLLOKOSA-N	1	0	369.462	1.819	20	30		FDEDRO
C=CCNC(=O)[C@H](C)n1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1	ZINC000640884310	695640535	/nfs/dbraw/zinc/64/05/35/695640535.db2.gz	XOVRNWMFZXCIHD-HZMBPMFUSA-N	1	0	364.247	1.952	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1NCCN1CCC([NH+](C)C)CC1	ZINC000641436451	696102740	/nfs/dbraw/zinc/10/27/40/696102740.db2.gz	AOSNFOGTTLEHRA-UHFFFAOYSA-N	1	0	366.531	1.589	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)OCC	ZINC000641668472	696193894	/nfs/dbraw/zinc/19/38/94/696193894.db2.gz	AHVNKBDUTKSVPN-ROUUACIJSA-N	1	0	353.507	1.271	20	30		FDEDRO
N#C[C@@H](c1ccc(N2CCN3CC[NH2+]C[C@H]3C2)nn1)c1ccccc1F	ZINC001164398660	718836199	/nfs/dbraw/zinc/83/61/99/718836199.db2.gz	IYLVHHFAHAMXII-GOEBONIOSA-N	1	0	352.417	1.365	20	30		FDEDRO
CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(C#N)cc(Cl)n1	ZINC001164614481	719014924	/nfs/dbraw/zinc/01/49/24/719014924.db2.gz	FOSLUXZCHVVVTD-GRYCIOLGSA-N	1	0	370.787	1.881	20	30		FDEDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cnc(C#N)c(C#N)n1)C2	ZINC001164812412	720177216	/nfs/dbraw/zinc/17/72/16/720177216.db2.gz	ALVARBWWPWBHDD-KXBFYZLASA-N	1	0	352.442	1.405	20	30		FDEDRO
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cncc(C#N)n1)CCC2	ZINC001164814003	720214146	/nfs/dbraw/zinc/21/41/46/720214146.db2.gz	RTAJKLGBZPUOLD-UHFFFAOYSA-N	1	0	353.430	1.155	20	30		FDEDRO
N#Cc1cc(Cl)cnc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164737543	720738775	/nfs/dbraw/zinc/73/87/75/720738775.db2.gz	CJALBVVPJQEGFS-GJZGRUSLSA-N	1	0	356.817	1.739	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3nc4c(cc3C#N)COCC4)CC[C@@H]2C1	ZINC001164856618	720884615	/nfs/dbraw/zinc/88/46/15/720884615.db2.gz	ILOJPULBDNCOSX-DNVCBOLYSA-N	1	0	372.469	1.199	20	30		FDEDRO
Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncc5c(C#N)c[nH]c5n4)C[C@@H]3C2)cn1	ZINC001164762550	721175310	/nfs/dbraw/zinc/17/53/10/721175310.db2.gz	CSUJJNPJOXUHBS-HOCLYGCPSA-N	1	0	362.441	1.521	20	30		FDEDRO
CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nccc(C#N)c4F)C3)O2)CC1	ZINC001164886324	721410057	/nfs/dbraw/zinc/41/00/57/721410057.db2.gz	JALQFWKSRWXLHU-PXNSSMCTSA-N	1	0	373.476	1.858	20	30		FDEDRO
Cc1cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc(C#N)n1	ZINC001164888829	721417142	/nfs/dbraw/zinc/41/71/42/721417142.db2.gz	OSGUVCIIOQXSRX-YLJYHZDGSA-N	1	0	370.501	1.422	20	30		FDEDRO
C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc(Cl)c(C#N)n2)CC3)CC1	ZINC001164795901	721509585	/nfs/dbraw/zinc/50/95/85/721509585.db2.gz	OGHAWJMBXQXMTC-UHFFFAOYSA-N	1	0	371.876	1.571	20	30		FDEDRO
C[NH+]1CCN(Cc2cn3c(n2)CN(c2nccc(Cl)c2C#N)CC3)CC1	ZINC001164794172	721510813	/nfs/dbraw/zinc/51/08/13/721510813.db2.gz	IRHDOXBHCVODJH-UHFFFAOYSA-N	1	0	371.876	1.571	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c[nH]c(=O)cc1C)C2	ZINC001112527748	805586939	/nfs/dbraw/zinc/58/69/39/805586939.db2.gz	UHGCOHLXDIYZRI-JXFKEZNVSA-N	1	0	357.454	1.577	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)COCc2ncc(C)o2)C[C@H]1C	ZINC001104406888	782362230	/nfs/dbraw/zinc/36/22/30/782362230.db2.gz	PMXKUGIQNBQCNY-NVXWUHKLSA-N	1	0	363.458	1.224	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NCc3ccc(C[NH3+])cc3F)CC2)cn1	ZINC000892229980	782363490	/nfs/dbraw/zinc/36/34/90/782363490.db2.gz	YIXMSECZUSLOES-UHFFFAOYSA-N	1	0	368.416	1.583	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCc2ccccc2C)C[C@H]1C	ZINC001104718689	790325225	/nfs/dbraw/zinc/32/52/25/790325225.db2.gz	JEXHTYAEHKKZRT-UYAOXDASSA-N	1	0	369.509	1.751	20	30		FDEDRO
C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1	ZINC001022734006	782766202	/nfs/dbraw/zinc/76/62/02/782766202.db2.gz	GUSWZTYRYVBVLN-YVECIDJPSA-N	1	0	353.264	1.669	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2CN(CC(=O)NC(=O)NCC)C[C@H]2C)CCCC1	ZINC001211492585	769735644	/nfs/dbraw/zinc/73/56/44/769735644.db2.gz	FVFBFDOPAVKZON-HUUCEWRRSA-N	1	0	364.490	1.405	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]2C)CCCC1	ZINC001211495500	769876625	/nfs/dbraw/zinc/87/66/25/769876625.db2.gz	ODKUYWSVJBRXBU-KZNAEPCWSA-N	1	0	360.502	1.817	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](NC(=O)c2cc3n(c2)CCCC3)C1	ZINC001211497262	769901886	/nfs/dbraw/zinc/90/18/86/769901886.db2.gz	DJABZIWAQXFMAH-IIDMSEBBSA-N	1	0	358.486	1.565	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCO[C@@H]3C[N@H+](CC4CCOCC4)C[C@@H]32)c1	ZINC001083188233	769981068	/nfs/dbraw/zinc/98/10/68/769981068.db2.gz	KPQTYWNGDOWZFI-RBUKOAKNSA-N	1	0	355.438	1.015	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc3oc(=O)n(C)c3c2)C1	ZINC001022737184	782800011	/nfs/dbraw/zinc/80/00/11/782800011.db2.gz	RVVIUXOZKUKTBI-DLTWYDFYSA-N	1	0	371.437	1.459	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)N(C)C)cc2)C1	ZINC001022736991	782798727	/nfs/dbraw/zinc/79/87/27/782798727.db2.gz	LZBRZOFUHBDKGC-HCXYKTFWSA-N	1	0	371.481	1.716	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](O)c2cc(F)ccc2F)C1	ZINC001022737547	782810388	/nfs/dbraw/zinc/81/03/88/782810388.db2.gz	CHDAJFBEYMZJSH-FOOXYVKASA-N	1	0	366.408	1.826	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(Cl)c[nH]2)C1	ZINC001111587849	782823116	/nfs/dbraw/zinc/82/31/16/782823116.db2.gz	LOKBZKKKFJOPDS-LXIYXOSZSA-N	1	0	364.877	1.943	20	30		FDEDRO
COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NC2(C#N)CCCCC2)C1	ZINC000519987609	770444801	/nfs/dbraw/zinc/44/48/01/770444801.db2.gz	IJVBFAWSDMKPQM-HZPDHXFCSA-N	1	0	364.490	1.192	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2COc3ccccc3O2)C1	ZINC001020604963	770982944	/nfs/dbraw/zinc/98/29/44/770982944.db2.gz	WQBPMFDNARKQOL-VIQHNZTISA-N	1	0	358.438	1.654	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCc3ccccc3NC2=O)C1	ZINC001020604825	770982969	/nfs/dbraw/zinc/98/29/69/770982969.db2.gz	QDIFGURTBRMFCE-RFLLJTPXSA-N	1	0	369.465	1.768	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCn2c(C)csc2=O)C1	ZINC001020604844	770983049	/nfs/dbraw/zinc/98/30/49/770983049.db2.gz	QVRNRDSKGFTIJQ-TUVASFSCSA-N	1	0	351.472	1.046	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cn(-c3ccccc3)nn2)C1	ZINC001020605436	770986690	/nfs/dbraw/zinc/98/66/90/770986690.db2.gz	IBFCZTDXMFGHNH-RGCFKVTRSA-N	1	0	367.453	1.595	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c1	ZINC000120116908	771025899	/nfs/dbraw/zinc/02/58/99/771025899.db2.gz	KLVVJVOSLRGGOA-UHFFFAOYSA-N	1	0	357.414	1.587	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cnnn2-c2ccccc2)C1	ZINC000970016825	771205779	/nfs/dbraw/zinc/20/57/79/771205779.db2.gz	JCSVLVLYMCTGJV-LZQZEXGQSA-N	1	0	367.453	1.549	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2snnc2C)C1	ZINC001020714132	771286487	/nfs/dbraw/zinc/28/64/87/771286487.db2.gz	MMCAUURQXRADHJ-YXWQFLTLSA-N	1	0	350.488	1.955	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1	ZINC001104241208	771641767	/nfs/dbraw/zinc/64/17/67/771641767.db2.gz	PSDHYVFIBYYKMJ-CRAIPNDOSA-N	1	0	352.442	1.424	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)CCc2cc(OC)no2)C[C@H]1C	ZINC001104245377	771755901	/nfs/dbraw/zinc/75/59/01/771755901.db2.gz	FHHMCWNWVMUPKO-HZPDHXFCSA-N	1	0	363.458	1.340	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC(=O)NCC)C1	ZINC001104245304	771756871	/nfs/dbraw/zinc/75/68/71/771756871.db2.gz	AUKCKUIUCZPOPC-BZUAXINKSA-N	1	0	366.506	1.651	20	30		FDEDRO
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(c3ccc(C4(C#N)CCC4)cn3)C[C@H]1C2	ZINC001167231597	771778421	/nfs/dbraw/zinc/77/84/21/771778421.db2.gz	ZWEXUKKIZMEDFJ-GAYYXQCQSA-N	1	0	366.465	1.862	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCCC1(C[NH2+]CC#Cc2ccccc2)CC1	ZINC001167243287	771796242	/nfs/dbraw/zinc/79/62/42/771796242.db2.gz	OHZILDMKVSXPNU-RBUKOAKNSA-N	1	0	367.493	1.639	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1	ZINC001104246953	771806853	/nfs/dbraw/zinc/80/68/53/771806853.db2.gz	OYXYBXIHSIECHT-IXDOHACOSA-N	1	0	356.532	1.852	20	30		FDEDRO
N#CCOc1ccc(C[NH2+]CC2(CCNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)cc1	ZINC001167254530	771810223	/nfs/dbraw/zinc/81/02/23/771810223.db2.gz	PDLUYAUTIXNPBN-SJORKVTESA-N	1	0	370.453	1.086	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]CCO[C@@H]2CC2(F)F)CC1	ZINC001167277123	771855566	/nfs/dbraw/zinc/85/55/66/771855566.db2.gz	BXZYMVFJYWCDES-QLFBSQMISA-N	1	0	358.429	1.878	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(COC)CC2)C[C@H]1C	ZINC001104417297	782972112	/nfs/dbraw/zinc/97/21/12/782972112.db2.gz	ICVOPOABLHISCP-OWCLPIDISA-N	1	0	351.491	1.178	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C[C@@H]2O)C1	ZINC000970398731	772558044	/nfs/dbraw/zinc/55/80/44/772558044.db2.gz	LBIHINCAFGCDGS-ZACQAIPSSA-N	1	0	363.502	1.009	20	30		FDEDRO
C=C(C)COCCNC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000413386554	772572717	/nfs/dbraw/zinc/57/27/17/772572717.db2.gz	VGTJLSSDUKKLIW-UHFFFAOYSA-N	1	0	361.486	1.905	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cnc(C)nc2OC)C[C@H]1C	ZINC001104270829	772670458	/nfs/dbraw/zinc/67/04/58/772670458.db2.gz	SCISIPGCIGLNJC-GDBMZVCRSA-N	1	0	362.474	1.684	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](C)c3nnnn3C)C2)CCC1	ZINC001104279489	772754676	/nfs/dbraw/zinc/75/46/76/772754676.db2.gz	BLMHKHCMOMHFAX-BZUAXINKSA-N	1	0	358.490	1.539	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)CC[N@@H+]1C	ZINC001021326993	772923838	/nfs/dbraw/zinc/92/38/38/772923838.db2.gz	HTPPAOMWSZDVQL-CWLKWCNXSA-N	1	0	369.469	1.290	20	30		FDEDRO
[NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1)C(F)(F)F	ZINC000655958034	773061276	/nfs/dbraw/zinc/06/12/76/773061276.db2.gz	HTBJMLBUPJLBGZ-MRVPVSSYSA-N	1	0	361.217	1.789	20	30		FDEDRO
C[N@H+](CC(=O)N1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1)C1CCC1	ZINC001021414729	773253552	/nfs/dbraw/zinc/25/35/52/773253552.db2.gz	CQNLDYPSGRXVCS-SUMWQHHRSA-N	1	0	355.442	1.044	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N2C[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)CC1	ZINC001021416029	773258183	/nfs/dbraw/zinc/25/81/83/773258183.db2.gz	ZXPUEVMOSRQCNR-MAUKXSAKSA-N	1	0	369.469	1.291	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C3CCC=CCC3)[C@@H]2C1	ZINC000972280635	783096252	/nfs/dbraw/zinc/09/62/52/783096252.db2.gz	TZXWDGSPZIRBHI-HSALFYBXSA-N	1	0	369.509	1.890	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)c3ccn([C@@H]4CCC[NH2+]C4)n3)CC2)c1	ZINC000275734768	773447181	/nfs/dbraw/zinc/44/71/81/773447181.db2.gz	UXAAGZOLWZYGCO-MRXNPFEDSA-N	1	0	365.441	1.037	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cccn2CC=C)C[C@H]1C	ZINC001104294115	773878070	/nfs/dbraw/zinc/87/80/70/773878070.db2.gz	WOGFSTLWXVEVRR-KZNAEPCWSA-N	1	0	370.497	1.500	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cncc(-n3ccnn3)c1)C2	ZINC001112494086	773932406	/nfs/dbraw/zinc/93/24/06/773932406.db2.gz	KRSFHDIJTCPQPP-LPHOPBHVSA-N	1	0	352.442	1.680	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cnn3ccncc23)C[C@H]1C	ZINC001104295831	773983498	/nfs/dbraw/zinc/98/34/98/773983498.db2.gz	SKMPLICATNOVAU-HZPDHXFCSA-N	1	0	357.458	1.620	20	30		FDEDRO
C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)n1cnc(C#N)n1	ZINC000891246659	774089473	/nfs/dbraw/zinc/08/94/73/774089473.db2.gz	DJLPFVRTIJLIOL-BBRMVZONSA-N	1	0	355.446	1.196	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)C1	ZINC001021588380	774096109	/nfs/dbraw/zinc/09/61/09/774096109.db2.gz	UERCUXAUFUMXHD-IPMKNSEASA-N	1	0	357.498	1.581	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CNC(=O)c3ccccc32)C[C@H]1C	ZINC001104299353	774098032	/nfs/dbraw/zinc/09/80/32/774098032.db2.gz	GZRAHKMDIXBKCR-MDZRGWNJSA-N	1	0	353.466	1.611	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)COC(C)C)C[C@H]1c1ccccc1	ZINC001211551404	783156836	/nfs/dbraw/zinc/15/68/36/783156836.db2.gz	NBYQPBFFPVSWSN-YTQUADARSA-N	1	0	371.481	1.134	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccn3c2CCCC3)C[C@H]1C	ZINC001104302794	774372560	/nfs/dbraw/zinc/37/25/60/774372560.db2.gz	HQOGAGLDVQUYGW-IAGOWNOFSA-N	1	0	370.497	1.262	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2conc2C)C1	ZINC001104305987	774438040	/nfs/dbraw/zinc/43/80/40/774438040.db2.gz	DYADKLKWJJEMNO-SUMDDJOVSA-N	1	0	358.486	1.655	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cncc(CC)c2)C[C@H]1C	ZINC001104421367	783181971	/nfs/dbraw/zinc/18/19/71/783181971.db2.gz	PHALFKVLGDBPDQ-JFIYKMOQSA-N	1	0	370.497	1.470	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@]2(C3CCCC3)CCNC2=O)C[C@H]1C	ZINC001104312660	774595626	/nfs/dbraw/zinc/59/56/26/774595626.db2.gz	MCRHATYDPDVGQU-CBGDNZLLSA-N	1	0	359.514	1.780	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)COc2cc(C)on2)C[C@H]1C	ZINC001104316183	774744474	/nfs/dbraw/zinc/74/44/74/774744474.db2.gz	MSJBHXUZFUMWRK-GDBMZVCRSA-N	1	0	351.447	1.639	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(=O)NC(C)C)CC1	ZINC001167435106	774825992	/nfs/dbraw/zinc/82/59/92/774825992.db2.gz	HROZXZXJKUMLQY-RDJZCZTQSA-N	1	0	351.491	1.368	20	30		FDEDRO
C=C(Br)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C	ZINC001104317674	774847695	/nfs/dbraw/zinc/84/76/95/774847695.db2.gz	GPZLQPBIXVUYSE-ZYHUDNBSSA-N	1	0	360.296	1.481	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CCN(C)C2=O)C[C@H]1C	ZINC001104332484	775449676	/nfs/dbraw/zinc/44/96/76/775449676.db2.gz	HOVRNIFKEGRUFG-IXDOHACOSA-N	1	0	351.491	1.132	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2CCC(F)(F)CC2)C[C@H]1C	ZINC001104725763	790401097	/nfs/dbraw/zinc/40/10/97/790401097.db2.gz	DZCTWGSLAWKIME-GDBMZVCRSA-N	1	0	369.456	1.636	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cccn(CC(C)C)c3=O)[C@H]2C1	ZINC001083216379	775968466	/nfs/dbraw/zinc/96/84/66/775968466.db2.gz	XMKYKUZODBQXHJ-ZWKOTPCHSA-N	1	0	359.470	1.606	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1CC[C@H](C(=O)OC)C[C@H]1[C@H]1CCCO1	ZINC000933174905	776005024	/nfs/dbraw/zinc/00/50/24/776005024.db2.gz	DMROHNHJERAZEL-YESZJQIVSA-N	1	0	352.475	1.844	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000276162268	776189168	/nfs/dbraw/zinc/18/91/68/776189168.db2.gz	WBDSJXPCOWKHIP-DZGCQCFKSA-N	1	0	361.417	1.717	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@H]1C	ZINC001104350063	776346020	/nfs/dbraw/zinc/34/60/20/776346020.db2.gz	XEXLICXXXHDZIY-HZPDHXFCSA-N	1	0	368.543	1.852	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)c4nocc4C)C[C@H]32)CC1	ZINC001021884380	776499610	/nfs/dbraw/zinc/49/96/10/776499610.db2.gz	XUQAWWQQGZDFBF-DLBZAZTESA-N	1	0	370.453	1.001	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc3c[nH]ccc-3n2)C[C@H]1C	ZINC001104352260	776605403	/nfs/dbraw/zinc/60/54/03/776605403.db2.gz	MFIPZUIJLLUJFS-HUUCEWRRSA-N	1	0	367.453	1.000	20	30		FDEDRO
N#CC1(c2ccccn2)CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000376737067	790477924	/nfs/dbraw/zinc/47/79/24/790477924.db2.gz	OFALOKGWUGYVSU-OAHLLOKOSA-N	1	0	356.386	1.105	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](F)c2ccccc2)C[C@H]1C	ZINC001104735074	790500605	/nfs/dbraw/zinc/50/06/05/790500605.db2.gz	LBYHWXMMVIGABZ-SUMDDJOVSA-N	1	0	359.445	1.521	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H](F)c2ccccc2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104735641	790522254	/nfs/dbraw/zinc/52/22/54/790522254.db2.gz	UOQDJVGRWIWNPQ-QGPMSJSTSA-N	1	0	360.433	1.411	20	30		FDEDRO
C[N@H+](Cc1ccc(OCC#N)cc1)[C@@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1	ZINC000971572734	777711731	/nfs/dbraw/zinc/71/17/31/777711731.db2.gz	MENIJQWEEXGANB-QKLQHJQFSA-N	1	0	355.438	1.658	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2ncn(C)n2)[C@H](C[NH2+]Cc2ccc(C#N)s2)C1	ZINC001087162190	778013899	/nfs/dbraw/zinc/01/38/99/778013899.db2.gz	VMVZVHWIYKPNPJ-OLZOCXBDSA-N	1	0	358.471	1.779	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N3CCC[C@@H]4[NH2+]CC[C@H]43)CC2)nc1	ZINC000891498556	778146761	/nfs/dbraw/zinc/14/67/61/778146761.db2.gz	MHQVBYNIKQSBPT-DLBZAZTESA-N	1	0	354.458	1.458	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnc3[nH]c(=O)[nH]c3c2)C[C@H]1C	ZINC001104370073	778191615	/nfs/dbraw/zinc/19/16/15/778191615.db2.gz	ONVZANHKRMOJMI-ZIAGYGMSSA-N	1	0	371.441	1.001	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)N1CCC(OC)CC1)C(C)C	ZINC000656964098	778711182	/nfs/dbraw/zinc/71/11/82/778711182.db2.gz	CEIJDYAOJZWDJV-QGZVFWFLSA-N	1	0	359.536	1.630	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1	ZINC000971719683	778840283	/nfs/dbraw/zinc/84/02/83/778840283.db2.gz	XSQAACVFBDGRIJ-FRFSOERESA-N	1	0	355.442	1.044	20	30		FDEDRO
Cc1c(CNC(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)cnn1C	ZINC000328847529	778878329	/nfs/dbraw/zinc/87/83/29/778878329.db2.gz	SPGLPMDAMKWRFX-UHFFFAOYSA-N	1	0	362.522	1.633	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H]([N@H+](C)Cc3ccc(C#N)s3)C2)O1	ZINC000971781674	779069315	/nfs/dbraw/zinc/06/93/15/779069315.db2.gz	LXKDJOPZAHPHDP-CKEIUWERSA-N	1	0	362.499	1.372	20	30		FDEDRO
COc1ccc(CNC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1C#N	ZINC000891702775	779120533	/nfs/dbraw/zinc/12/05/33/779120533.db2.gz	ZFIJSGXANWIXOC-OLZOCXBDSA-N	1	0	356.348	1.845	20	30		FDEDRO
C[C@]12C[NH2+]C[C@H]1CN(C(=O)NC1CCC(Oc3ncccc3C#N)CC1)C2	ZINC000891827595	779612159	/nfs/dbraw/zinc/61/21/59/779612159.db2.gz	MBDCLXGATXYEMP-MVBPIPQGSA-N	1	0	369.469	1.894	20	30		FDEDRO
O=C(NC1CC[NH+](C2CC2)CC1)N1CCC(C(=O)N2CCOCC2)CC1	ZINC000328984423	779678190	/nfs/dbraw/zinc/67/81/90/779678190.db2.gz	GDMKGYKBQKZXRV-UHFFFAOYSA-N	1	0	364.490	1.098	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[C@@H]4[NH2+]CC[C@H]43)C2=O)cc1	ZINC000891851724	779753085	/nfs/dbraw/zinc/75/30/85/779753085.db2.gz	NZUZZZJIGGQYEH-OKZBNKHCSA-N	1	0	367.453	1.195	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2CCCNC2=O)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087177579	779763505	/nfs/dbraw/zinc/76/35/05/779763505.db2.gz	GTNBINQUWSDRKD-AYOQOUSVSA-N	1	0	368.481	1.801	20	30		FDEDRO
CC[C@@H](C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[NH+](CC)CC	ZINC000276880954	779990794	/nfs/dbraw/zinc/99/07/94/779990794.db2.gz	ILTFTIRULZDONW-ROUUACIJSA-N	1	0	356.470	1.896	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCNC(C)=O)C1	ZINC001112508128	780140329	/nfs/dbraw/zinc/14/03/29/780140329.db2.gz	OZILFQJLBQTVOL-PXNSSMCTSA-N	1	0	365.518	1.570	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)ccc1F	ZINC001022452007	780301204	/nfs/dbraw/zinc/30/12/04/780301204.db2.gz	JBKJCMXLADFHTM-HHHNKWSNSA-N	1	0	355.413	1.858	20	30		FDEDRO
N#Cc1cc(C(=O)N2C[C@H]3CCN(C(=O)[C@@]45CC[N@H+](C4)CCC5)C[C@H]32)c[nH]1	ZINC000971876358	780411609	/nfs/dbraw/zinc/41/16/09/780411609.db2.gz	KPMMDOXUEUZMFI-ZTQAJYAQSA-N	1	0	367.453	1.045	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](CCO)C2CCCC2)CC1	ZINC000934009895	780608590	/nfs/dbraw/zinc/60/85/90/780608590.db2.gz	OTHJQPSFKFFROA-ROUUACIJSA-N	1	0	350.507	1.210	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)COCc2nnc(C)s2)C[C@H]1C	ZINC001104390273	780661755	/nfs/dbraw/zinc/66/17/55/780661755.db2.gz	RCSCVSSJQRVMOW-UKRRQHHQSA-N	1	0	350.488	1.461	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cccc3ncnn32)C[C@H]1C	ZINC001104391039	780681003	/nfs/dbraw/zinc/68/10/03/780681003.db2.gz	CNMQZBFZJRJTMJ-HZPDHXFCSA-N	1	0	357.458	1.620	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)CC1	ZINC000277182797	781010614	/nfs/dbraw/zinc/01/06/14/781010614.db2.gz	ZFXYJGXFTDWLDF-UHFFFAOYSA-N	1	0	359.382	1.974	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2csnn2)C1=O	ZINC001087194644	781090716	/nfs/dbraw/zinc/09/07/16/781090716.db2.gz	DWULPAZAKYPWJP-HZSPNIEDSA-N	1	0	363.487	1.155	20	30		FDEDRO
N#Cc1cccc(CN2C[C@H]3OCCN(C(=O)CCn4cccc4)[C@H]3C2)c1	ZINC001083233942	781194153	/nfs/dbraw/zinc/19/41/53/781194153.db2.gz	COEODVSVZPLZAL-VQTJNVASSA-N	1	0	364.449	1.862	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1	ZINC000653197065	781636875	/nfs/dbraw/zinc/63/68/75/781636875.db2.gz	MOZDSANRUNSTKC-YJBOKZPZSA-N	1	0	363.483	1.352	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@H]32)c1	ZINC001022635444	781685069	/nfs/dbraw/zinc/68/50/69/781685069.db2.gz	SGRVKLRVSYUACM-IWKCEXAMSA-N	1	0	366.465	1.076	20	30		FDEDRO
Cn1ccnc1C[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@H]1c1ccccc1	ZINC001211537977	781782116	/nfs/dbraw/zinc/78/21/16/781782116.db2.gz	LTDNKKCSBBHREN-DLBZAZTESA-N	1	0	369.494	1.761	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC1CC[NH+](CCOC)CC1	ZINC000668632836	783262096	/nfs/dbraw/zinc/26/20/96/783262096.db2.gz	BARFBOGBPKMOCP-WBVHZDCISA-N	1	0	351.491	1.465	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(C#N)c2)C1	ZINC000972342686	783359544	/nfs/dbraw/zinc/35/95/44/783359544.db2.gz	MDKPVNBOLUFQOJ-KURKYZTESA-N	1	0	354.454	1.315	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@@H]3CN(CC#Cc4ccccc4)C[C@@H]32)C1	ZINC001083247966	783425934	/nfs/dbraw/zinc/42/59/34/783425934.db2.gz	LTJHBMLYVFSZDF-QHAWAJNXSA-N	1	0	367.493	1.292	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](CC)Oc3ccccc3F)[C@H]2C1	ZINC001083248020	783426257	/nfs/dbraw/zinc/42/62/57/783426257.db2.gz	NZNNBTSYDREICE-JENIJYKNSA-N	1	0	360.429	1.918	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[N@H+]3CC)C2)CC1	ZINC001024137681	783825728	/nfs/dbraw/zinc/82/57/28/783825728.db2.gz	XLSNOROCDAKBKZ-KZNAEPCWSA-N	1	0	363.502	1.295	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1	ZINC001024157508	784026740	/nfs/dbraw/zinc/02/67/40/784026740.db2.gz	MKDFSLXECKCDME-BRWVUGGUSA-N	1	0	363.502	1.294	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2cc3n(n2)CCC3)C1	ZINC001024165897	784176857	/nfs/dbraw/zinc/17/68/57/784176857.db2.gz	XOUMCMGUBNGJJD-LZQZEXGQSA-N	1	0	358.486	1.749	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@H]2O)C1	ZINC001025545770	791013192	/nfs/dbraw/zinc/01/31/92/791013192.db2.gz	MZNQOSUQHZPBBC-ZACQAIPSSA-N	1	0	363.502	1.151	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ncnn2C)C1	ZINC001024191883	784289667	/nfs/dbraw/zinc/28/96/67/784289667.db2.gz	GKACCUAPVLFLNS-BQFCYCMXSA-N	1	0	361.490	1.515	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C1	ZINC000658674629	784813176	/nfs/dbraw/zinc/81/31/76/784813176.db2.gz	AVLZIICDUIFDOC-QGZVFWFLSA-N	1	0	365.518	1.760	20	30		FDEDRO
CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCO[C@H]1c1cnn(C)c1	ZINC001024488556	784883349	/nfs/dbraw/zinc/88/33/49/784883349.db2.gz	ZQVLEKIINUZHEU-OTWHNJEPSA-N	1	0	358.486	1.882	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@H]1c1ccccc1	ZINC001211631887	784932489	/nfs/dbraw/zinc/93/24/89/784932489.db2.gz	UHRPIOPAZFGYQG-GBESFXJTSA-N	1	0	370.497	1.937	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2cc(C)nn2C)C[C@H]1c1ccccc1	ZINC001211633238	785117339	/nfs/dbraw/zinc/11/73/39/785117339.db2.gz	UTQAGZQYGKVOEI-VQTJNVASSA-N	1	0	350.466	1.879	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)COc3ccc(C)cc3OC)[C@H]2C1	ZINC001083268149	785261892	/nfs/dbraw/zinc/26/18/92/785261892.db2.gz	LXZXUMNYHDRPPX-QFBILLFUSA-N	1	0	360.454	1.870	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1	ZINC000892494815	785278604	/nfs/dbraw/zinc/27/86/04/785278604.db2.gz	ISWONYMMZYPJTC-GJZGRUSLSA-N	1	0	371.489	1.347	20	30		FDEDRO
CC(C)NC(=O)c1cnn2c1C[C@@H](C[NH2+]Cc1cc(C#N)n(C)c1)CC2	ZINC000365129920	785297340	/nfs/dbraw/zinc/29/73/40/785297340.db2.gz	AKZFLGXXAILUPA-AWEZNQCLSA-N	1	0	354.458	1.584	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1=O	ZINC000375989569	785464164	/nfs/dbraw/zinc/46/41/64/785464164.db2.gz	SDNQNIJYQHHTEX-MOPGFXCFSA-N	1	0	370.497	1.937	20	30		FDEDRO
C[NH+](C)CCOc1ccc(NC(=O)CNc2ccc(C#N)cn2)c(F)c1	ZINC000413902562	785731725	/nfs/dbraw/zinc/73/17/25/785731725.db2.gz	OZPWAEPHOHYFOA-UHFFFAOYSA-N	1	0	357.389	2.083	20	30		FDEDRO
COC(=O)[C@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)CC[N@H+](C)C1	ZINC000413925894	785829147	/nfs/dbraw/zinc/82/91/47/785829147.db2.gz	VMCSCNJEYLHPSC-QGZVFWFLSA-N	1	0	373.453	1.671	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c4ccccc4oc3=O)[C@H]2C1	ZINC001083271598	785834343	/nfs/dbraw/zinc/83/43/43/785834343.db2.gz	RAAGJFYPGAFACO-FUHWJXTLSA-N	1	0	371.437	1.472	20	30		FDEDRO
CCOC[C@H]1CC[N@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C1	ZINC000177633287	785916783	/nfs/dbraw/zinc/91/67/83/785916783.db2.gz	NDZHEJNHSSGZQK-HNNXBMFYSA-N	1	0	356.426	1.638	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4c(c3)nnn4CC)[C@H]2C1	ZINC001083271914	785927907	/nfs/dbraw/zinc/92/79/07/785927907.db2.gz	JVTLNMCUQBZZLH-RBUKOAKNSA-N	1	0	369.469	1.943	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CC3(CC3)C1)C2	ZINC001112528301	805687814	/nfs/dbraw/zinc/68/78/14/805687814.db2.gz	VZRJTBOYMBIVCZ-KUDFPVQQSA-N	1	0	357.498	1.533	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cnnn1CC	ZINC001024966845	786996105	/nfs/dbraw/zinc/99/61/05/786996105.db2.gz	JPYSQNCGIGCDAJ-NXHRZFHOSA-N	1	0	361.490	1.750	20	30		FDEDRO
COCCC[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(C)c2C#N)CC1	ZINC000376281885	787155682	/nfs/dbraw/zinc/15/56/82/787155682.db2.gz	LEFZRQAUALPKBM-UHFFFAOYSA-N	1	0	358.442	1.376	20	30		FDEDRO
CC(C)C[C@@H](C(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1	ZINC001111519867	787379947	/nfs/dbraw/zinc/37/99/47/787379947.db2.gz	GQJFAGNNFRPIIG-HCXYKTFWSA-N	1	0	368.481	1.927	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)CC1	ZINC000332826337	787405144	/nfs/dbraw/zinc/40/51/44/787405144.db2.gz	IDRGZMVGBIQXAI-FUHWJXTLSA-N	1	0	359.474	1.096	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnn3c2C[C@@H](C)CC3)C1	ZINC001111958571	787417944	/nfs/dbraw/zinc/41/79/44/787417944.db2.gz	NEVLIGUVEAZLIB-FIKGOQFSSA-N	1	0	370.497	1.700	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)n1	ZINC000892593582	787540741	/nfs/dbraw/zinc/54/07/41/787540741.db2.gz	WWDLIDBMRMHVED-BJWYYQGGSA-N	1	0	359.474	1.205	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)Cn3nc(C)c(Cl)c3C)[C@H]2C1	ZINC001083277211	787589678	/nfs/dbraw/zinc/58/96/78/787589678.db2.gz	UKWGSGSJZRJOND-LSDHHAIUSA-N	1	0	352.866	1.641	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)NC(=O)NCC)C[C@H]1c1ccccc1	ZINC001211684257	805817465	/nfs/dbraw/zinc/81/74/65/805817465.db2.gz	PHZYDNSEVIRHIO-DLBZAZTESA-N	1	0	356.470	1.302	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](O)COCCOC)C1	ZINC001104553317	787759385	/nfs/dbraw/zinc/75/93/85/787759385.db2.gz	XPPSERCNYWPIIZ-GUDVDZBRSA-N	1	0	368.518	1.278	20	30		FDEDRO
CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccccc1O[C@H](C)C#N	ZINC000162809533	787923595	/nfs/dbraw/zinc/92/35/95/787923595.db2.gz	BCFJNWGADDEAND-OAHLLOKOSA-N	1	0	360.458	1.962	20	30		FDEDRO
C#CC1(O)CN(C(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)C1	ZINC000892642225	787928650	/nfs/dbraw/zinc/92/86/50/787928650.db2.gz	OIYVOWMYYLDWBQ-CQSZACIVSA-N	1	0	360.433	1.028	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1	ZINC000659082791	787961629	/nfs/dbraw/zinc/96/16/29/787961629.db2.gz	IDHIKDGOXVGRKY-JQHSSLGASA-N	1	0	373.453	1.383	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1	ZINC000659082793	787961899	/nfs/dbraw/zinc/96/18/99/787961899.db2.gz	IDHIKDGOXVGRKY-NXHRZFHOSA-N	1	0	373.453	1.383	20	30		FDEDRO
[NH3+]C1(CNC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CCCC1	ZINC000659100972	788021137	/nfs/dbraw/zinc/02/11/37/788021137.db2.gz	ZZDGAKPDHYBHSR-UHFFFAOYSA-N	1	0	362.433	1.808	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1	ZINC000978867735	805854243	/nfs/dbraw/zinc/85/42/43/805854243.db2.gz	FNIOHMLDVAQSMF-YVSFHVDLSA-N	1	0	361.486	1.074	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000978878660	805877453	/nfs/dbraw/zinc/87/74/53/805877453.db2.gz	UZUABIYDSWESCN-PWXKEOIMSA-N	1	0	357.458	1.241	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1)c1ccco1	ZINC001112528699	805905573	/nfs/dbraw/zinc/90/55/73/805905573.db2.gz	MJJKDQMQJQDYTF-VCBZYWHSSA-N	1	0	358.442	1.241	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)c2ccnc3c2nnn3C)C[C@H]1C	ZINC001104590697	788803387	/nfs/dbraw/zinc/80/33/87/788803387.db2.gz	ZDAXYRWQWZTLGS-DGCLKSJQSA-N	1	0	362.865	1.804	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCN2C(=O)CNC2=O)C1	ZINC001104606586	788846926	/nfs/dbraw/zinc/84/69/26/788846926.db2.gz	ACGJIKMJMLNLGH-HZPDHXFCSA-N	1	0	364.490	1.359	20	30		FDEDRO
C=CCn1cc(C(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)nn1	ZINC000648357296	789037337	/nfs/dbraw/zinc/03/73/37/789037337.db2.gz	DAKAXLIUPFTRSA-UHFFFAOYSA-N	1	0	356.430	1.915	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000973450735	789045220	/nfs/dbraw/zinc/04/52/20/789045220.db2.gz	MEEDUMIFTBVUOL-SRABZTEZSA-N	1	0	354.410	1.302	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H]3CCC(=O)NC3=O)C2)CC1	ZINC001104631529	789059228	/nfs/dbraw/zinc/05/92/28/789059228.db2.gz	QWMOYAMRHFDERE-BZUAXINKSA-N	1	0	361.486	1.612	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCNC2=O)C1	ZINC001104631455	789059712	/nfs/dbraw/zinc/05/97/12/789059712.db2.gz	NSVUPBYPNVBLEB-MDZRGWNJSA-N	1	0	350.507	1.688	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCNC(=O)C2CCC2)C[C@H]1c1ccccc1	ZINC001211688074	805933961	/nfs/dbraw/zinc/93/39/61/805933961.db2.gz	NMRHMDNBUUHZJB-VQTJNVASSA-N	1	0	367.493	1.900	20	30		FDEDRO
C=CCN(C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H](C)COC	ZINC000659536931	789142635	/nfs/dbraw/zinc/14/26/35/789142635.db2.gz	AVDQBVIVLLYCHV-CHWSQXEVSA-N	1	0	352.401	1.055	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1c1ccccc1	ZINC001211688207	805940465	/nfs/dbraw/zinc/94/04/65/805940465.db2.gz	QUGLKQUCWYLCIF-VQTJNVASSA-N	1	0	355.482	1.316	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1	ZINC000973516886	789289955	/nfs/dbraw/zinc/28/99/55/789289955.db2.gz	IIIGSHLQDXHOMY-ZKXLYKBJSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1	ZINC000659673169	789429349	/nfs/dbraw/zinc/42/93/49/789429349.db2.gz	HTMPDEIZLRYUKN-KSZLIROESA-N	1	0	363.502	1.322	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1	ZINC001104698895	789496741	/nfs/dbraw/zinc/49/67/41/789496741.db2.gz	SBTCSGCEECPBLF-CRAIPNDOSA-N	1	0	366.469	1.883	20	30		FDEDRO
C=CCOc1cccc(NC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1	ZINC000415016617	791205148	/nfs/dbraw/zinc/20/51/48/791205148.db2.gz	QBTPFMGJDZHYML-INIZCTEOSA-N	1	0	372.469	1.927	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)c1C#N	ZINC000472676816	791233626	/nfs/dbraw/zinc/23/36/26/791233626.db2.gz	IWDMJTNWIAELLP-MRXNPFEDSA-N	1	0	358.490	1.513	20	30		FDEDRO
C#C[C@H]1CCCCN1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000892796119	791252327	/nfs/dbraw/zinc/25/23/27/791252327.db2.gz	HQRCBDUSNQCYQW-SFHVURJKSA-N	1	0	370.501	1.576	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@@]3(C)C[NH+]4CCC3CC4)cc2C1=O	ZINC000892798702	791268217	/nfs/dbraw/zinc/26/82/17/791268217.db2.gz	HWWHKKJRCNYNIL-FQEVSTJZSA-N	1	0	353.422	1.683	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1	ZINC000979119974	806064331	/nfs/dbraw/zinc/06/43/31/806064331.db2.gz	OMZCWLIYMWECBC-GXUNQHPWSA-N	1	0	371.525	1.921	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2	ZINC000415200968	791632098	/nfs/dbraw/zinc/63/20/98/791632098.db2.gz	CSDDKNLFDKZISN-SUMWQHHRSA-N	1	0	361.417	1.507	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CC23CCN(c2ccncc2C#N)CC3)O1	ZINC001058655867	791704267	/nfs/dbraw/zinc/70/42/67/791704267.db2.gz	NDENBLLOWATRIL-ZTFGCOKTSA-N	1	0	369.469	1.147	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@]2(C)CCC(=O)N2)C1	ZINC001112029000	791793845	/nfs/dbraw/zinc/79/38/45/791793845.db2.gz	MGHCHJFVNHYELM-DBVUQKKJSA-N	1	0	363.502	1.609	20	30		FDEDRO
O=C(C(F)F)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO[C@@H]2CC2(F)F)C1	ZINC001112029016	791794695	/nfs/dbraw/zinc/79/46/95/791794695.db2.gz	MYSBTLAJYDWCFK-BWZBUEFSSA-N	1	0	352.250	1.655	20	30		FDEDRO
N#Cc1cc(Oc2ccc(NC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)cc2)ccn1	ZINC000415275570	791823007	/nfs/dbraw/zinc/82/30/07/791823007.db2.gz	ZDKSCVFUVUARFO-CYBMUJFWSA-N	1	0	365.393	1.634	20	30		FDEDRO
N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1	ZINC000415368339	792083334	/nfs/dbraw/zinc/08/33/34/792083334.db2.gz	AGXBTTINVLWSOC-AWEZNQCLSA-N	1	0	365.393	1.552	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH+]2CCC(CCCn3ccnc3)CC2)CC1	ZINC000783032603	792171652	/nfs/dbraw/zinc/17/16/52/792171652.db2.gz	UWFXOBLKRCFGCB-UHFFFAOYSA-N	1	0	357.502	1.153	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@@H](C[NH3+])C2CCCC2)n1	ZINC000415438358	792258557	/nfs/dbraw/zinc/25/85/57/792258557.db2.gz	LWGWRZHLYSMEJU-HNNXBMFYSA-N	1	0	356.405	2.522	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)NCCC[C@H]2CCC[NH2+]2)n1	ZINC000415436522	792269260	/nfs/dbraw/zinc/26/92/60/792269260.db2.gz	JZJDNSJEJOICIU-CYBMUJFWSA-N	1	0	356.405	2.537	20	30		FDEDRO
C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000415536032	792482930	/nfs/dbraw/zinc/48/29/30/792482930.db2.gz	ZKWUTCQJBRNWKO-RDJZCZTQSA-N	1	0	362.433	1.616	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2	ZINC000415560654	792533429	/nfs/dbraw/zinc/53/34/29/792533429.db2.gz	VJBYZCGMSORKJY-UHFFFAOYSA-N	1	0	356.426	1.498	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1	ZINC000415581671	792597496	/nfs/dbraw/zinc/59/74/96/792597496.db2.gz	NXZSDHHNFWKJFD-IBGZPJMESA-N	1	0	373.457	1.439	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1C#N	ZINC000415581895	792597572	/nfs/dbraw/zinc/59/75/72/792597572.db2.gz	NZODHPUZMNJURM-RRQGHBQHSA-N	1	0	370.453	1.870	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1	ZINC000415591107	792637291	/nfs/dbraw/zinc/63/72/91/792637291.db2.gz	HJSOENKYVOWMNI-IBGZPJMESA-N	1	0	356.426	1.496	20	30		FDEDRO
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N(C)C1C[NH2+]C1	ZINC000415742912	792913057	/nfs/dbraw/zinc/91/30/57/792913057.db2.gz	LTQJIROBFDSCNY-UHFFFAOYSA-N	1	0	365.393	1.423	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1	ZINC000415745207	792915085	/nfs/dbraw/zinc/91/50/85/792915085.db2.gz	QIJKREJQEKUGMJ-HDJSIYSDSA-N	1	0	359.474	1.935	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1	ZINC000415746667	792920273	/nfs/dbraw/zinc/92/02/73/792920273.db2.gz	NVTNJVRLILLOSQ-HUUCEWRRSA-N	1	0	356.426	1.352	20	30		FDEDRO
CC1(C)CN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC[NH2+]1	ZINC000415815868	793054139	/nfs/dbraw/zinc/05/41/39/793054139.db2.gz	MGPAMWZLMAERHA-UHFFFAOYSA-N	1	0	370.331	1.606	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1	ZINC000415824700	793070661	/nfs/dbraw/zinc/07/06/61/793070661.db2.gz	WLWLAOLWQRISBX-INIZCTEOSA-N	1	0	374.441	1.156	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc1C#N	ZINC000415837863	793108127	/nfs/dbraw/zinc/10/81/27/793108127.db2.gz	CVYFCGLRBNOYJP-UKRRQHHQSA-N	1	0	358.442	1.727	20	30		FDEDRO
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCN1C	ZINC000415849774	793196881	/nfs/dbraw/zinc/19/68/81/793196881.db2.gz	FWTXEAMVCKUPEW-INIZCTEOSA-N	1	0	358.486	1.497	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1	ZINC001104764197	793535201	/nfs/dbraw/zinc/53/52/01/793535201.db2.gz	HARXTFLWYJRKKB-CRAIPNDOSA-N	1	0	356.470	1.611	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ncc(C)o3)C2)nn1	ZINC001104769165	793554718	/nfs/dbraw/zinc/55/47/18/793554718.db2.gz	GXIHQFOPGGQBJC-UKRRQHHQSA-N	1	0	358.446	1.649	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC)C2)cc1	ZINC001104768542	793562857	/nfs/dbraw/zinc/56/28/57/793562857.db2.gz	OREKRMYHKHTFRF-NVXWUHKLSA-N	1	0	357.454	1.132	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C[C@H]1C	ZINC001104782344	793631175	/nfs/dbraw/zinc/63/11/75/793631175.db2.gz	WBQNJQQKUSGQHH-OAGGEKHMSA-N	1	0	357.520	1.061	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnn(C)c2)C1	ZINC001104782601	793633070	/nfs/dbraw/zinc/63/30/70/793633070.db2.gz	KYCBCVOBWZGBIY-YSHGAJCASA-N	1	0	360.502	1.976	20	30		FDEDRO
C[C@@H](O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1	ZINC001087425610	806265293	/nfs/dbraw/zinc/26/52/93/806265293.db2.gz	GUAUNLVLZYUSDY-LSBZLQRGSA-N	1	0	352.438	1.855	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)COC1(C)CN(C(=O)OC(C)(C)C)C1	ZINC000783091001	793707421	/nfs/dbraw/zinc/70/74/21/793707421.db2.gz	ROZUPASFPWJUFQ-OAHLLOKOSA-N	1	0	366.458	1.653	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(C)CCOCC2)C[C@H]1C	ZINC001104796661	793737607	/nfs/dbraw/zinc/73/76/07/793737607.db2.gz	VIXFWDZHCBCHAR-IXDOHACOSA-N	1	0	363.502	1.015	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCCO2)C[C@H]1C(F)(F)F	ZINC001112051925	793796781	/nfs/dbraw/zinc/79/67/81/793796781.db2.gz	QFFAJSOPAXDKPB-BFHYXJOUSA-N	1	0	350.381	1.737	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(=O)[nH]c3c1CCCC3)C2	ZINC001111520223	793809052	/nfs/dbraw/zinc/80/90/52/793809052.db2.gz	XJVVCSRHZCXLAW-ZMYBRWDISA-N	1	0	369.465	1.651	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cccc3nc[nH]c32)C[C@H]1C	ZINC001104829193	793952534	/nfs/dbraw/zinc/95/25/34/793952534.db2.gz	SWOIBFHYFFGSOJ-HZPDHXFCSA-N	1	0	354.454	1.901	20	30		FDEDRO
C=CCc1cc(C[NH+]2CCC([C@]3(C)NC(=O)NC3=O)CC2)cc(OC)c1O	ZINC000378341569	793980386	/nfs/dbraw/zinc/98/03/86/793980386.db2.gz	LLIFAXAUIFOCFE-FQEVSTJZSA-N	1	0	373.453	1.939	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@H]1C(F)(F)F	ZINC001112055341	793993800	/nfs/dbraw/zinc/99/38/00/793993800.db2.gz	LGFIKZXSWXRAQC-IACUBPJLSA-N	1	0	361.408	1.846	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1	ZINC000378412864	794103507	/nfs/dbraw/zinc/10/35/07/794103507.db2.gz	SDBQXMFUKXMNTJ-IAGOWNOFSA-N	1	0	360.502	1.862	20	30		FDEDRO
CC(C)CC(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104883852	794206989	/nfs/dbraw/zinc/20/69/89/794206989.db2.gz	FQSNXEOUNIIPEM-HZPDHXFCSA-N	1	0	350.507	1.773	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)COCc2nc(CC)no2)C[C@H]1C	ZINC001104888542	794224210	/nfs/dbraw/zinc/22/42/10/794224210.db2.gz	CSGYCKNHPDWMIW-HUUCEWRRSA-N	1	0	350.463	1.799	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCC2(C[NH3+])CC2)cc1	ZINC000652634667	806313255	/nfs/dbraw/zinc/31/32/55/806313255.db2.gz	NXLMYEJVJGWWSJ-UHFFFAOYSA-N	1	0	359.430	1.178	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3n[nH]nc3C2)C[C@H]1C	ZINC001104904923	794314221	/nfs/dbraw/zinc/31/42/21/794314221.db2.gz	OQDFWVNVCPDNBP-KWCYVHTRSA-N	1	0	351.882	1.736	20	30		FDEDRO
C=C(Br)C[NH2+]CC[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1C	ZINC001104909013	794359747	/nfs/dbraw/zinc/35/97/47/794359747.db2.gz	SXBKAGYTZBXFFA-TZMCWYRMSA-N	1	0	369.307	1.945	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(N(C)C)nn2)C[C@H]1C	ZINC001104918733	794387294	/nfs/dbraw/zinc/38/72/94/794387294.db2.gz	IRLFHMGDUWGTSH-HZPDHXFCSA-N	1	0	361.490	1.433	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1	ZINC000378603225	794391821	/nfs/dbraw/zinc/39/18/21/794391821.db2.gz	YZHHUKKJRVPOJA-LSDHHAIUSA-N	1	0	356.426	1.613	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C[C@H]1C	ZINC001104952342	794536756	/nfs/dbraw/zinc/53/67/56/794536756.db2.gz	SAYORTVHIPTYQX-JFIYKMOQSA-N	1	0	371.547	1.499	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@@H]4CCCCC[C@@H]43)CC2)o1	ZINC000363918602	794562505	/nfs/dbraw/zinc/56/25/05/794562505.db2.gz	DJWOLIOVUUYJDF-RDJZCZTQSA-N	1	0	357.458	1.768	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CN(C(C)=O)CCO2)C[C@H]1C	ZINC001104967191	794608907	/nfs/dbraw/zinc/60/89/07/794608907.db2.gz	MYGRKUDNZCXBOG-NXHRZFHOSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CN(C(C)=O)CCO2)C[C@H]1C	ZINC001104967190	794609314	/nfs/dbraw/zinc/60/93/14/794609314.db2.gz	MYGRKUDNZCXBOG-KBAYOESNSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1	ZINC000974172252	794617250	/nfs/dbraw/zinc/61/72/50/794617250.db2.gz	RIQSYKKLVZHIDV-LVEJAMMSSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1	ZINC000974183023	794666549	/nfs/dbraw/zinc/66/65/49/794666549.db2.gz	RGQOHGGLDZBDFF-SVMIPSPUSA-N	1	0	372.469	1.268	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)C2CCN(C(C)=O)CC2)C[C@H]1C	ZINC001104993396	794752538	/nfs/dbraw/zinc/75/25/38/794752538.db2.gz	XTTJQRAURKATSD-VQIMIIECSA-N	1	0	365.518	1.522	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H](CN(C)c3ccc(C#N)cn3)C2)CC[N@@H+]1C	ZINC001058708830	794782372	/nfs/dbraw/zinc/78/23/72/794782372.db2.gz	XUBBXNFBEFPPLC-KBAYOESNSA-N	1	0	355.486	1.968	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2scnc2Cl)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001105019927	794954011	/nfs/dbraw/zinc/95/40/11/794954011.db2.gz	JOJBBSVCKBLRGQ-GHMZBOCLSA-N	1	0	369.878	1.124	20	30		FDEDRO
C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1C	ZINC001105023179	794958954	/nfs/dbraw/zinc/95/89/54/794958954.db2.gz	RSGGZFQWTHULJS-BRWVUGGUSA-N	1	0	371.547	1.499	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccnc(-n3ccnc3)c2)C[C@H]1C	ZINC001105025781	794967793	/nfs/dbraw/zinc/96/77/93/794967793.db2.gz	HCHMRVVAEBOZHO-SJLPKXTDSA-N	1	0	351.454	1.978	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1CC[NH2+]CC(=O)NC1CC1	ZINC001105044790	795051447	/nfs/dbraw/zinc/05/14/47/795051447.db2.gz	BVSQPNAZRHGHLS-IEBWSBKVSA-N	1	0	367.493	1.781	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)NC(=O)NCCC)C[C@H]1C	ZINC001105061004	795103784	/nfs/dbraw/zinc/10/37/84/795103784.db2.gz	YNXJHGOKBBFRAY-HZPDHXFCSA-N	1	0	350.507	1.572	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(N(C)C)cn2)C[C@H]1C	ZINC001105080513	795183976	/nfs/dbraw/zinc/18/39/76/795183976.db2.gz	NNZSSURRSRSARK-IAGOWNOFSA-N	1	0	358.486	1.485	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC2CCC2)C1	ZINC001105089995	795232817	/nfs/dbraw/zinc/23/28/17/795232817.db2.gz	DUCOIHYOZILNQI-JFIYKMOQSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCN2CCCC2=O)C1	ZINC001105090381	795234795	/nfs/dbraw/zinc/23/47/95/795234795.db2.gz	SRMTYWWLCLKJGF-QZTJIDSGSA-N	1	0	365.518	1.666	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000979659289	806398924	/nfs/dbraw/zinc/39/89/24/806398924.db2.gz	XJUSPDAYOARYIW-NZUILWFCSA-N	1	0	357.458	1.241	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](CCCC)NC(N)=O)C[C@H]1C	ZINC001105098519	795285277	/nfs/dbraw/zinc/28/52/77/795285277.db2.gz	DYAOPGUEMRLVPK-ZACQAIPSSA-N	1	0	368.522	1.490	20	30		FDEDRO
N#Cc1ccccc1OC1CCC(NC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)CC1	ZINC000417593129	795313371	/nfs/dbraw/zinc/31/33/71/795313371.db2.gz	FPYORCMWPKHECW-VXLLPVPCSA-N	1	0	358.442	1.128	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nnnn3C)C2)CCCC1	ZINC001105115459	795330612	/nfs/dbraw/zinc/33/06/12/795330612.db2.gz	IXVCZCDURARHIR-HZPDHXFCSA-N	1	0	360.506	1.921	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccccc2-n2ccnn2)C[C@H]1C	ZINC001105114924	795332976	/nfs/dbraw/zinc/33/29/76/795332976.db2.gz	GDMKWWUFDUTMGN-IAGOWNOFSA-N	1	0	351.454	1.978	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(C)o2)C[C@H]1C(F)(F)F	ZINC001112083623	795417788	/nfs/dbraw/zinc/41/77/88/795417788.db2.gz	KQYLRIIDEBUKQQ-HUUCEWRRSA-N	1	0	358.360	1.759	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[C@]2(O)CCCC[C@H]2C1	ZINC000330243720	795611513	/nfs/dbraw/zinc/61/15/13/795611513.db2.gz	WYMKNXJJTLVKMZ-ZNWBIBPKSA-N	1	0	365.518	1.905	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1	ZINC000979761287	806436981	/nfs/dbraw/zinc/43/69/81/806436981.db2.gz	ZDWWNLNRQVTKIM-DZVNLGKHSA-N	1	0	363.502	1.461	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1	ZINC000297467446	795701602	/nfs/dbraw/zinc/70/16/02/795701602.db2.gz	LIBBBQSFJMXSIS-IBGZPJMESA-N	1	0	353.470	1.361	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1c1ccccc1	ZINC001211655572	795704469	/nfs/dbraw/zinc/70/44/69/795704469.db2.gz	OVMNQNMLKRLGQZ-CENDIDJXSA-N	1	0	356.466	1.666	20	30		FDEDRO
Cc1onc(CC(=O)Nc2ccc(OC3CC[NH+](C)CC3)nc2)c1C#N	ZINC000500291705	795801297	/nfs/dbraw/zinc/80/12/97/795801297.db2.gz	QNEPBQPVBHZBOQ-UHFFFAOYSA-N	1	0	355.398	1.904	20	30		FDEDRO
C=C(C)CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)nn1	ZINC001105288501	795820532	/nfs/dbraw/zinc/82/05/32/795820532.db2.gz	OWNKPNXVUKOOOI-WKULXVSPSA-N	1	0	357.458	1.141	20	30		FDEDRO
COCCN1C(=O)C[C@@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)[C@@H]1c1cnn(C)c1C	ZINC000278835183	795863508	/nfs/dbraw/zinc/86/35/08/795863508.db2.gz	ULXQJZLNFXNQBN-NHAYFPRASA-N	1	0	373.501	1.937	20	30		FDEDRO
C=C1CC(C)(C(=O)N2CC[C@@H]3CN(C(=O)CCN4CCOCC4)[C@@H]3C2)C1	ZINC000974530254	796271354	/nfs/dbraw/zinc/27/13/54/796271354.db2.gz	KQBPXDAYUPFHSX-IAGOWNOFSA-N	1	0	361.486	1.124	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H]3CN(C(=O)C[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)c1	ZINC000974582962	799869013	/nfs/dbraw/zinc/86/90/13/799869013.db2.gz	IEAJWMOBWQNGBD-ZHALLVOQSA-N	1	0	366.465	1.078	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC2CCC(NC(=O)c3c[nH]c(C#N)c3)CC2)CC[N@@H+]1C	ZINC000980131576	806801323	/nfs/dbraw/zinc/80/13/23/806801323.db2.gz	BHKFKQTZXVROGJ-MUDYYLEHSA-N	1	0	371.485	1.774	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@H]1c1ccccc1	ZINC001211659463	800085185	/nfs/dbraw/zinc/08/51/85/800085185.db2.gz	LAZYBNYFZQZTJO-NSHGMRRFSA-N	1	0	362.445	1.902	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21	ZINC000974692127	800098269	/nfs/dbraw/zinc/09/82/69/800098269.db2.gz	IHOFUQAHUSEPTN-WOJBJXKFSA-N	1	0	365.477	1.366	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCCC[N@@H+]1CCO[C@@H](C)C1	ZINC000893394300	800157021	/nfs/dbraw/zinc/15/70/21/800157021.db2.gz	UADSPQPEFLWRHZ-ZDUSSCGKSA-N	1	0	361.442	1.862	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2)C1	ZINC001027888970	806816312	/nfs/dbraw/zinc/81/63/12/806816312.db2.gz	GVAPZTUAFBBGOO-FHLIZLRMSA-N	1	0	354.454	1.554	20	30		FDEDRO
N#Cc1cccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)c1	ZINC001026968841	800347832	/nfs/dbraw/zinc/34/78/32/800347832.db2.gz	FMTZCWZKDQCEHE-FUMNGEBKSA-N	1	0	369.465	1.548	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4C[C@H]5C[C@H]5C4)[C@@H]3C2)CC1	ZINC000974853654	800407396	/nfs/dbraw/zinc/40/73/96/800407396.db2.gz	SDGOFYOTDWEDRK-SWBPCFCJSA-N	1	0	369.509	1.437	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@H]3CCN(C(=O)C#CC4CC4)C[C@H]32)C1	ZINC000974859181	800444144	/nfs/dbraw/zinc/44/41/44/800444144.db2.gz	MQLJEEKNCIIARM-CEXWTWQISA-N	1	0	357.498	1.581	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C(C)(C)CC)[C@@H]3C2)CC1	ZINC000974944064	800602654	/nfs/dbraw/zinc/60/26/54/800602654.db2.gz	IDFKVJDZFXICEM-QZTJIDSGSA-N	1	0	359.514	1.827	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C4(C(C)C)CC4)[C@@H]3C2)CC1	ZINC000975067902	800819527	/nfs/dbraw/zinc/81/95/27/800819527.db2.gz	ZXXXYEBVTLHHIU-RTBURBONSA-N	1	0	371.525	1.827	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H]3CN(C(=O)C[N@H+]4CC[C@H](C)C4)[C@@H]3C2)c1	ZINC000975202796	800992038	/nfs/dbraw/zinc/99/20/38/800992038.db2.gz	INUMDAZSZJMKEZ-KVSKMBFKSA-N	1	0	366.465	1.078	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1	ZINC000975308540	801114808	/nfs/dbraw/zinc/11/48/08/801114808.db2.gz	GZVLGHQXDKPPDA-LNLFQRSKSA-N	1	0	363.502	1.418	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3C[C@H]3CC)C2)CC1	ZINC000975568408	801533093	/nfs/dbraw/zinc/53/30/93/801533093.db2.gz	XUUHTIIWXQNGSJ-YQVWRLOYSA-N	1	0	359.514	1.733	20	30		FDEDRO
Cc1cc(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)nn1CCC#N	ZINC000278880788	806932745	/nfs/dbraw/zinc/93/27/45/806932745.db2.gz	PFGNAUFNRBCZOI-OAHLLOKOSA-N	1	0	360.462	1.822	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@H]2C1	ZINC000975621093	801769644	/nfs/dbraw/zinc/76/96/44/801769644.db2.gz	XVPQOQLLZJAVGM-UAGQMJEPSA-N	1	0	355.442	1.044	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@@H]32)cn1	ZINC000975718646	802120622	/nfs/dbraw/zinc/12/06/22/802120622.db2.gz	LXTSFXKELDXKLC-IEZWGBDMSA-N	1	0	366.465	1.078	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)C4CCC4)[C@H]3C2)CC1	ZINC000975754530	802208504	/nfs/dbraw/zinc/20/85/04/802208504.db2.gz	MSLIZWFGZSNRTC-LPHOPBHVSA-N	1	0	357.498	1.581	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)[C@@H]4CC4(C)C)[C@H]3C2)CC1	ZINC000975754990	802269341	/nfs/dbraw/zinc/26/93/41/802269341.db2.gz	SUXREVCZUKUXAM-WDSOQIARSA-N	1	0	371.525	1.827	20	30		FDEDRO
C[NH+](C)C1(C(=O)N2CC[C@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@H]3C2)CCC1	ZINC000975759830	802277133	/nfs/dbraw/zinc/27/71/33/802277133.db2.gz	ANXGGWZBPPXDCR-RDJZCZTQSA-N	1	0	369.469	1.434	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1	ZINC001211663924	802569045	/nfs/dbraw/zinc/56/90/45/802569045.db2.gz	IJCOYWREEPKOBR-OKZBNKHCSA-N	1	0	369.465	1.732	20	30		FDEDRO
C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC000661116403	802753914	/nfs/dbraw/zinc/75/39/14/802753914.db2.gz	JSXKOXFOKGDLJN-GJZGRUSLSA-N	1	0	359.474	1.548	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1	ZINC000661116261	802754437	/nfs/dbraw/zinc/75/44/37/802754437.db2.gz	IARQYAVHDFURQS-IKGGRYGDSA-N	1	0	372.531	1.373	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccco2)CC1	ZINC000976166476	803021371	/nfs/dbraw/zinc/02/13/71/803021371.db2.gz	NFYYDRHNPHUHMU-IAGOWNOFSA-N	1	0	357.454	1.782	20	30		FDEDRO
C=CCN(CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)[C@@H](C)COC	ZINC000661241691	803086469	/nfs/dbraw/zinc/08/64/69/803086469.db2.gz	DLRWEVFDHNPYCL-KRWDZBQOSA-N	1	0	373.497	1.930	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C	ZINC000976289359	803164538	/nfs/dbraw/zinc/16/45/38/803164538.db2.gz	YBSGYZWLRJNELT-MNWMBMHPSA-N	1	0	361.486	1.025	20	30		FDEDRO
C=C(C)CS(=O)(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21	ZINC000651841184	803455343	/nfs/dbraw/zinc/45/53/43/803455343.db2.gz	JHTKSKMPHNAJII-QZTJIDSGSA-N	1	0	350.484	1.868	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc[nH]c(=O)c1	ZINC000976507746	803479192	/nfs/dbraw/zinc/47/91/92/803479192.db2.gz	MRNYQQXNNWRQGL-ZACQAIPSSA-N	1	0	370.453	1.042	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)C1	ZINC000976539982	803492407	/nfs/dbraw/zinc/49/24/07/803492407.db2.gz	VDSCGZGGVOCETJ-FVQBIDKESA-N	1	0	357.458	1.385	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC000976556340	803521596	/nfs/dbraw/zinc/52/15/96/803521596.db2.gz	UATVSCLOVPUJMX-KBRIMQKVSA-N	1	0	357.458	1.528	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1coc(C)c1	ZINC000976580673	803552062	/nfs/dbraw/zinc/55/20/62/803552062.db2.gz	YGIWEALGLVZFDN-KURKYZTESA-N	1	0	357.454	1.843	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]C[C@@H](O)COC)C2)CCC1	ZINC001112525561	803611198	/nfs/dbraw/zinc/61/11/98/803611198.db2.gz	YYSUUKLOQBEALQ-QKLQHJQFSA-N	1	0	350.503	1.958	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1	ZINC000423091686	814960346	/nfs/dbraw/zinc/96/03/46/814960346.db2.gz	YEIUVEDNNOOERL-RBUKOAKNSA-N	1	0	362.433	1.470	20	30		FDEDRO
C=C(C)COc1cc(CN2CCN(CC[NH+](C)C)C(=O)C2)ccc1OC	ZINC000651890546	803763647	/nfs/dbraw/zinc/76/36/47/803763647.db2.gz	HSGKNTNEMDLLLM-UHFFFAOYSA-N	1	0	361.486	1.856	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2c[nH]cc2C)CC1	ZINC000976696095	803768588	/nfs/dbraw/zinc/76/85/88/803768588.db2.gz	YWALCTSAVMJHMM-RTBURBONSA-N	1	0	370.497	1.826	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C[NH+]2CCCC2)cn1	ZINC000976702396	803781233	/nfs/dbraw/zinc/78/12/33/803781233.db2.gz	NSFDFHLCNABNKX-QZTJIDSGSA-N	1	0	354.454	1.316	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCc2cnn(C)c2)C1	ZINC001027415403	803801947	/nfs/dbraw/zinc/80/19/47/803801947.db2.gz	KWSXUBIGTMBWRZ-OTWHNJEPSA-N	1	0	360.502	1.867	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C[C@H](C)[NH2+]1	ZINC000423146353	814972553	/nfs/dbraw/zinc/97/25/53/814972553.db2.gz	AICBNRYIZJQMBY-GASCZTMLSA-N	1	0	370.453	1.137	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1	ZINC000976767302	803900723	/nfs/dbraw/zinc/90/07/23/803900723.db2.gz	QMEQHTBUEUNXMP-UTRMSSBJSA-N	1	0	368.481	1.560	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c[nH+]cn2c1	ZINC000976831643	803949834	/nfs/dbraw/zinc/94/98/34/803949834.db2.gz	JSVSYOJYLKYJPS-ZBRFXRBCSA-N	1	0	366.421	1.112	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1	ZINC000423179811	814990473	/nfs/dbraw/zinc/99/04/73/814990473.db2.gz	AEZQJYNDHVEVET-QZTJIDSGSA-N	1	0	352.438	1.141	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@@H](C[NH2+]C)C1	ZINC000423188496	814994955	/nfs/dbraw/zinc/99/49/55/814994955.db2.gz	NSNRXMIJEAJXQI-SFHVURJKSA-N	1	0	354.454	1.531	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C[C@@H]2CC[N@@H+](C)C2)nc1	ZINC000976986664	804238540	/nfs/dbraw/zinc/23/85/40/804238540.db2.gz	QUFAIXSIBTXCOM-RCCFBDPRSA-N	1	0	368.481	1.562	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCCC)C2)c1	ZINC001112527080	805097892	/nfs/dbraw/zinc/09/78/92/805097892.db2.gz	MLUROIZQNOJQJU-RXVVDRJESA-N	1	0	368.481	1.421	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)C12CCC[NH+]1CCC2	ZINC000978029859	805146409	/nfs/dbraw/zinc/14/64/09/805146409.db2.gz	DHQOIJVWAXVCBZ-BBWFWOEESA-N	1	0	361.486	1.265	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)cn1	ZINC000978105126	805207716	/nfs/dbraw/zinc/20/77/16/805207716.db2.gz	IYJKYXKVXREPTQ-CEXWTWQISA-N	1	0	368.481	1.466	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cncc(F)c3)C[C@H]21	ZINC000978164538	805229628	/nfs/dbraw/zinc/22/96/28/805229628.db2.gz	FVJXKQVSDATFKY-QQXKLLMISA-N	1	0	359.445	1.996	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(Cc4cc(F)ccc4C#N)C[C@H]32)CC[N@@H+]1C	ZINC000978185386	805285321	/nfs/dbraw/zinc/28/53/21/805285321.db2.gz	VVLZKXVPEHXYIU-OJRASUONSA-N	1	0	370.472	1.832	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCn2cncn2)C1	ZINC001027607890	805339695	/nfs/dbraw/zinc/33/96/95/805339695.db2.gz	IMXKQYDIPHMWTM-SQNIBIBYSA-N	1	0	361.490	1.572	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN2C[C@@H]3CCN(C(=O)[C@@H](C)SC)[C@@H]3C2)c1	ZINC001075574192	805380103	/nfs/dbraw/zinc/38/01/03/805380103.db2.gz	ZCSNVFGRQMKFLS-UWWQBHOKSA-N	1	0	371.506	1.891	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)C1	ZINC001087431871	807202305	/nfs/dbraw/zinc/20/23/05/807202305.db2.gz	MWZCLWDQVJTXJZ-IPMKNSEASA-N	1	0	370.497	1.937	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3ccc[nH]3)C2)CC1	ZINC000980914088	807299039	/nfs/dbraw/zinc/29/90/39/807299039.db2.gz	SZIHGELGYWRJSZ-DOTOQJQBSA-N	1	0	356.470	1.375	20	30		FDEDRO
CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1	ZINC000423563540	815120127	/nfs/dbraw/zinc/12/01/27/815120127.db2.gz	ROXCIOYJBRFHKZ-QZTJIDSGSA-N	1	0	372.469	1.290	20	30		FDEDRO
N#Cc1cccc([C@@H]2CN(C(=O)C(=O)N3CCC[C@@H](CC[NH3+])C3)CCO2)c1	ZINC000423549356	815128648	/nfs/dbraw/zinc/12/86/48/815128648.db2.gz	DDCWNZNRYOGWEH-YJBOKZPZSA-N	1	0	370.453	1.046	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000981111161	807567483	/nfs/dbraw/zinc/56/74/83/807567483.db2.gz	FKPVONJMWDWDKQ-NXNVCVFFSA-N	1	0	371.485	1.631	20	30		FDEDRO
CC#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCNC(=O)CC2)C1	ZINC001087433406	807588403	/nfs/dbraw/zinc/58/84/03/807588403.db2.gz	PNEVHJFGIZZCMJ-VAMGGRTRSA-N	1	0	367.493	1.900	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@]2(C)CNC(=O)C2)C1	ZINC001087433507	807595970	/nfs/dbraw/zinc/59/59/70/807595970.db2.gz	UPESPNQNFSBREF-OPYAIIAOSA-N	1	0	353.466	1.510	20	30		FDEDRO
C[NH2+]CC1CCN(C(=O)C(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1	ZINC000423556535	815133312	/nfs/dbraw/zinc/13/33/12/815133312.db2.gz	BQAHGTWTGYGYOS-UHFFFAOYSA-N	1	0	354.454	1.507	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C2CC2)cc1	ZINC000423574040	815143151	/nfs/dbraw/zinc/14/31/51/815143151.db2.gz	SCNWTMXNPORLHS-UHOSZYNNSA-N	1	0	366.465	1.635	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)C(=O)N3CCCC[C@H]3C[NH3+])CC2)cc1	ZINC000423622227	815178952	/nfs/dbraw/zinc/17/89/52/815178952.db2.gz	MJWNCEXPIZVJFY-INIZCTEOSA-N	1	0	370.453	1.268	20	30		FDEDRO
C[C@@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)C[NH+]1CCN(C)CC1	ZINC000279080043	808283556	/nfs/dbraw/zinc/28/35/56/808283556.db2.gz	RCPZQVQQLMPXOK-HNNXBMFYSA-N	1	0	367.453	1.827	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)CCOCc1ccc(C#N)cc1	ZINC000423701857	815200839	/nfs/dbraw/zinc/20/08/39/815200839.db2.gz	XIKPHCBEQPFVNS-YJBOKZPZSA-N	1	0	372.469	1.262	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CCCC3(CN(C(=O)[C@]45C[C@H]4CCC5)C3)C2)C1=O	ZINC000981904388	808735983	/nfs/dbraw/zinc/73/59/83/808735983.db2.gz	GHRNMTDCQCYEMS-LLGFUMIMSA-N	1	0	357.498	1.888	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000981987009	808926587	/nfs/dbraw/zinc/92/65/87/808926587.db2.gz	DKLSHBUTYZSHDE-QBYUYEEZSA-N	1	0	371.485	1.631	20	30		FDEDRO
C=CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)c2nc3ncccn3n2)C1	ZINC001087439670	809101641	/nfs/dbraw/zinc/10/16/41/809101641.db2.gz	LKJCQRKWUGOVAU-IAGOWNOFSA-N	1	0	362.437	1.898	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H](C)NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000418694553	809138897	/nfs/dbraw/zinc/13/88/97/809138897.db2.gz	IBLGKULQQVKMHC-CHWSQXEVSA-N	1	0	355.446	1.294	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CO[C@H](C)c2nccn2C)C[C@H]1c1ccccc1	ZINC001211715901	809147463	/nfs/dbraw/zinc/14/74/63/809147463.db2.gz	WXTZUCUOJIWWCK-NZSAHSFTSA-N	1	0	366.465	1.715	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1F	ZINC000418887314	809296344	/nfs/dbraw/zinc/29/63/44/809296344.db2.gz	MPVNDSLKRKOHPU-UHFFFAOYSA-N	1	0	358.417	1.304	20	30		FDEDRO
CN(C(=O)C(=O)NCCSCc1ccccc1C#N)[C@H]1CCC[NH2+]CC1	ZINC000418916508	809310906	/nfs/dbraw/zinc/31/09/06/809310906.db2.gz	HCEGTNRDMCJTQI-KRWDZBQOSA-N	1	0	374.510	1.508	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+]	ZINC000418929704	809322344	/nfs/dbraw/zinc/32/23/44/809322344.db2.gz	WTOKSCBLZKICAK-RDJZCZTQSA-N	1	0	374.510	1.541	20	30		FDEDRO
Cc1onc(CC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c1C#N	ZINC000500674282	809342410	/nfs/dbraw/zinc/34/24/10/809342410.db2.gz	FIEKSVXUSKIVSV-UHFFFAOYSA-N	1	0	368.437	1.670	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CN(CC)CCO2)C[C@H]1c1ccccc1	ZINC001211726054	809393953	/nfs/dbraw/zinc/39/39/53/809393953.db2.gz	HVPVHLAKZMQJOV-XUVXKRRUSA-N	1	0	355.482	1.315	20	30		FDEDRO
C[C@@H](CC[NH3+])NC(=O)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	ZINC000419033796	809439735	/nfs/dbraw/zinc/43/97/35/809439735.db2.gz	MJBWJVJPLGAXJM-JEYLPNPQSA-N	1	0	358.442	1.218	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)c1	ZINC000419078783	809537913	/nfs/dbraw/zinc/53/79/13/809537913.db2.gz	LOZRQKCLQNVWQA-ZWKOTPCHSA-N	1	0	354.454	1.555	20	30		FDEDRO
C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000419105692	809564076	/nfs/dbraw/zinc/56/40/76/809564076.db2.gz	BZVLUXBKQSULGQ-WFASDCNBSA-N	1	0	367.371	1.287	20	30		FDEDRO
[NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000419111304	809582540	/nfs/dbraw/zinc/58/25/40/809582540.db2.gz	IQSNXZQVUXRYQR-HIFRSBDPSA-N	1	0	367.371	1.417	20	30		FDEDRO
C=CC[C@H](CC)NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1	ZINC000419136263	809602752	/nfs/dbraw/zinc/60/27/52/809602752.db2.gz	NDWLCMSSTAKOLT-JJRVBVJISA-N	1	0	365.424	1.997	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)CS(C)(=O)=O)C[C@H]1c1ccccc1	ZINC001211732408	809773582	/nfs/dbraw/zinc/77/35/82/809773582.db2.gz	FWAMCQAAIZCKCX-RYQLBKOJSA-N	1	0	362.495	1.275	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC=C)C1	ZINC001211732693	809824377	/nfs/dbraw/zinc/82/43/77/809824377.db2.gz	VAQSOGDKGBIXDF-RBUKOAKNSA-N	1	0	371.481	1.466	20	30		FDEDRO
C[NH+]=C(NCc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1)NC1CC1	ZINC000261697439	809880272	/nfs/dbraw/zinc/88/02/72/809880272.db2.gz	CAMGCNBHWHUQID-LJQANCHMSA-N	1	0	355.442	1.739	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)nc2)C[C@H]1c1ccccc1	ZINC001211733796	809901872	/nfs/dbraw/zinc/90/18/72/809901872.db2.gz	DECDNAZNCWXVLP-PKOBYXMFSA-N	1	0	364.449	1.954	20	30		FDEDRO
C[C@@H](O)C[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1	ZINC001087453907	810040994	/nfs/dbraw/zinc/04/09/94/810040994.db2.gz	RCVRLXMNYFVASH-UPRAQXHNSA-N	1	0	370.428	1.994	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1	ZINC001087456135	810092160	/nfs/dbraw/zinc/09/21/60/810092160.db2.gz	GBESZESHBNLJHU-CGTJXYLNSA-N	1	0	359.445	1.812	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1	ZINC000645121168	810097002	/nfs/dbraw/zinc/09/70/02/810097002.db2.gz	UOCXHNODKKYOPM-IEBWSBKVSA-N	1	0	359.470	1.906	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1	ZINC000512725829	810111900	/nfs/dbraw/zinc/11/19/00/810111900.db2.gz	QBRLBNPAUKKSQB-CQSZACIVSA-N	1	0	373.501	1.208	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@@H](NC(=O)C(C)(F)F)[C@H](OC)C1	ZINC001211761917	810140485	/nfs/dbraw/zinc/14/04/85/810140485.db2.gz	RIDDPJJPMBCBGG-BFHYXJOUSA-N	1	0	361.433	1.270	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C	ZINC000509786235	810179543	/nfs/dbraw/zinc/17/95/43/810179543.db2.gz	AOLJZUZHVXPSLM-CZUORRHYSA-N	1	0	356.426	1.591	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[C@H]2CCC(=O)N2)C1	ZINC001087458769	810287231	/nfs/dbraw/zinc/28/72/31/810287231.db2.gz	UIFKWMBZDSFOJO-KZNAEPCWSA-N	1	0	359.445	1.955	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2N(C)C)C[C@H]1OC	ZINC001212178373	810291218	/nfs/dbraw/zinc/29/12/18/810291218.db2.gz	UISMUXLIAFPCPQ-POAQFYNOSA-N	1	0	361.486	1.395	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1C[C@](C)(OC)C1(C)C)N1CCN(C(C)(C)C(N)=O)CC1	ZINC000261720455	810303306	/nfs/dbraw/zinc/30/33/06/810303306.db2.gz	KTHGRJVTZURZSC-KUHUBIRLSA-N	1	0	367.538	1.037	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1=O	ZINC000419296192	810349655	/nfs/dbraw/zinc/34/96/55/810349655.db2.gz	RKFVPLVHSIUWQF-QAPCUYQASA-N	1	0	373.453	1.030	20	30		FDEDRO
C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1=O	ZINC000433339513	810445883	/nfs/dbraw/zinc/44/58/83/810445883.db2.gz	AHIAGUFDYPZWPY-JLSDUUJJSA-N	1	0	364.453	1.958	20	30		FDEDRO
CN(C)c1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)ccn1	ZINC001075699058	815373182	/nfs/dbraw/zinc/37/31/82/815373182.db2.gz	RCXGXLABIKXFBK-MAUKXSAKSA-N	1	0	364.453	1.694	20	30		FDEDRO
C#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1	ZINC001087459561	810502908	/nfs/dbraw/zinc/50/29/08/810502908.db2.gz	KZKWPOCBRWRFOX-RTBURBONSA-N	1	0	355.457	1.829	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)CN2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c1	ZINC000419334062	810507043	/nfs/dbraw/zinc/50/70/43/810507043.db2.gz	UYVZVTCSYCZYCL-RBUKOAKNSA-N	1	0	372.513	1.937	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2C[C@H]2c2ccccc2OC)C1=O	ZINC001167920702	810552775	/nfs/dbraw/zinc/55/27/75/810552775.db2.gz	YYWZKJSPJDQYSW-KSZLIROESA-N	1	0	371.481	1.682	20	30		FDEDRO
C[C@@H]1C[N@H+](CCO)[C@H](C)CN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000419345273	810579474	/nfs/dbraw/zinc/57/94/74/810579474.db2.gz	SYPIFFPCLGVJEG-GPMSIDNRSA-N	1	0	356.470	1.441	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN(Cc2nnc(C3CC3)[nH]2)C1	ZINC001028549822	810618762	/nfs/dbraw/zinc/61/87/62/810618762.db2.gz	ZIPJYHRVZQTJAT-BMFZPTHFSA-N	1	0	359.474	1.601	20	30		FDEDRO
COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)cc1	ZINC000424540647	815387597	/nfs/dbraw/zinc/38/75/97/815387597.db2.gz	GRHXNKZSTKQUMF-PAYONLEZSA-N	1	0	370.453	1.065	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@]2(C)C[N@@H+]([C@@H]3CCNC3=O)C[C@]2(C)C1	ZINC000982639914	810676359	/nfs/dbraw/zinc/67/63/59/810676359.db2.gz	CCWFNHTWBZQRBC-STNJDDFNSA-N	1	0	361.486	1.027	20	30		FDEDRO
C=CCc1cc(CNC(=O)C(=O)NCC2([NH3+])CCC2)cc(OC)c1OC	ZINC000419363132	810692090	/nfs/dbraw/zinc/69/20/90/810692090.db2.gz	QPJRCOOGMNFPFK-UHFFFAOYSA-N	1	0	361.442	1.046	20	30		FDEDRO
CC[NH+]=C(NCCC1=CCCCC1)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261752126	810705657	/nfs/dbraw/zinc/70/56/57/810705657.db2.gz	NKRWJLRJNVNBJL-UHFFFAOYSA-N	1	0	358.490	1.925	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)C(C)(C)C[NH+]2CCCC2)CC1	ZINC000419374777	810737370	/nfs/dbraw/zinc/73/73/70/810737370.db2.gz	PEWLHIDMXCMNRA-SFHVURJKSA-N	1	0	363.550	1.485	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21	ZINC000729343426	811161294	/nfs/dbraw/zinc/16/12/94/811161294.db2.gz	RKXNDFHMWCMCNU-UHFFFAOYSA-N	1	0	358.402	1.638	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cnn(C)c2N)C1	ZINC001087464497	811205817	/nfs/dbraw/zinc/20/58/17/811205817.db2.gz	MEWVQNXZHLFDTO-SJLPKXTDSA-N	1	0	369.444	1.753	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCc4ccc(F)cc43)C[C@@H]2O)c1	ZINC001083392393	811207072	/nfs/dbraw/zinc/20/70/72/811207072.db2.gz	FXIGKKXKOTYAKP-QYZOEREBSA-N	1	0	368.412	1.878	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCCN2C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC000937351210	811256141	/nfs/dbraw/zinc/25/61/41/811256141.db2.gz	RGJRHTKWLKLQRT-XYJFISCASA-N	1	0	371.485	1.728	20	30		FDEDRO
C[NH+]=C(NC[C@@H](C)c1c(C)noc1C)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261842508	811330769	/nfs/dbraw/zinc/33/07/69/811330769.db2.gz	WLRWAWHVOYLVRD-GFCCVEGCSA-N	1	0	373.461	1.053	20	30		FDEDRO
C[NH+]=C(NC[C@]1(O)CCc2ccccc21)N1CCN(C[C@H]2CCOC2)CC1	ZINC000261860914	811333730	/nfs/dbraw/zinc/33/37/30/811333730.db2.gz	YLRYJELLFNPXHT-DYESRHJHSA-N	1	0	372.513	1.050	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCC2)N[C@@H]1CCN(c2ccccc2OC)C1	ZINC000261939139	811348500	/nfs/dbraw/zinc/34/85/00/811348500.db2.gz	DDRUEXJRQKQGOC-CQSZACIVSA-N	1	0	369.473	1.177	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)nn1	ZINC000424798866	815443087	/nfs/dbraw/zinc/44/30/87/815443087.db2.gz	GLRIFPHMVVDBMG-GOSISDBHSA-N	1	0	369.469	1.875	20	30		FDEDRO
COC[C@@H]1CCN(C(N[C@H]2CCc3ccccc3C2)=[NH+]CC(=O)N(C)C)C1	ZINC000262246936	811422126	/nfs/dbraw/zinc/42/21/26/811422126.db2.gz	BBKQMRSRDCOIHS-APWZRJJASA-N	1	0	372.513	1.546	20	30		FDEDRO
CN(C)C(=O)C[NH+]=C(NCc1ccco1)N[C@@H]1CCOc2ccccc21	ZINC000262314156	811439310	/nfs/dbraw/zinc/43/93/10/811439310.db2.gz	QHDQJDNZJCEWIX-MRXNPFEDSA-N	1	0	356.426	1.927	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1	ZINC000280026748	811696813	/nfs/dbraw/zinc/69/68/13/811696813.db2.gz	MWFUNWGMHTXDHF-VQIMIIECSA-N	1	0	353.470	1.383	20	30		FDEDRO
N#CCC[C@@H](NC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1)c1ccccc1	ZINC000419477254	811970540	/nfs/dbraw/zinc/97/05/40/811970540.db2.gz	RHNYMSBCHANNMH-ZWKOTPCHSA-N	1	0	350.422	1.964	20	30		FDEDRO
COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC[N@H+](C)C1	ZINC000419610335	812055736	/nfs/dbraw/zinc/05/57/36/812055736.db2.gz	JTTKCSSHEKTLKH-WMZOPIPTSA-N	1	0	370.453	1.682	20	30		FDEDRO
N#Cc1cccc(CCNC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)c1	ZINC000419709487	812100903	/nfs/dbraw/zinc/10/09/03/812100903.db2.gz	OSHWMDYEDBPYRH-UHFFFAOYSA-N	1	0	354.454	1.209	20	30		FDEDRO
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)NC1CCC([NH3+])CC1	ZINC000419868784	812265104	/nfs/dbraw/zinc/26/51/04/812265104.db2.gz	JAYSHWSDYNREJL-FOIPXRHGSA-N	1	0	354.454	1.671	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]C3)CC2)cc1	ZINC000419870185	812266821	/nfs/dbraw/zinc/26/68/21/812266821.db2.gz	WRFREJCPSHKNAR-MRXNPFEDSA-N	1	0	370.453	1.044	20	30		FDEDRO
C=C[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1	ZINC000419872822	812267708	/nfs/dbraw/zinc/26/77/08/812267708.db2.gz	CWLWHGUPLRIONI-NEWSRXKRSA-N	1	0	371.481	1.824	20	30		FDEDRO
C=CCCCCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1	ZINC000419900558	812281402	/nfs/dbraw/zinc/28/14/02/812281402.db2.gz	SPDDPPAPQSJNQO-ZWKOTPCHSA-N	1	0	359.470	1.729	20	30		FDEDRO
CC[N@H+](CCNC(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O)C(C)C	ZINC000514003792	815569153	/nfs/dbraw/zinc/56/91/53/815569153.db2.gz	VEZHFXGTGYHKFA-YWZLYKJASA-N	1	0	369.469	1.772	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C	ZINC000420049929	813427464	/nfs/dbraw/zinc/42/74/64/813427464.db2.gz	YUYIKYHATXMPHO-YOEHRIQHSA-N	1	0	370.453	1.302	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+]	ZINC000420066744	813431983	/nfs/dbraw/zinc/43/19/83/813431983.db2.gz	RBRSZNKFJIXMII-YRXWBPOGSA-N	1	0	368.481	1.918	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3cccc(OCCCC#N)c3)[C@H]2C1	ZINC000272346030	814664715	/nfs/dbraw/zinc/66/47/15/814664715.db2.gz	PVGBJHJSUBXCSW-QAPCUYQASA-N	1	0	370.453	1.860	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)cc1	ZINC000503510963	814833231	/nfs/dbraw/zinc/83/32/31/814833231.db2.gz	OEJRMTGGOKGABO-HZPDHXFCSA-N	1	0	372.469	1.918	20	30		FDEDRO
C[C@@H]1CCCN(C(=O)CN2C[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)C1	ZINC001075710059	815777038	/nfs/dbraw/zinc/77/70/38/815777038.db2.gz	WEHDLQOIWYRXHV-RVKKMQEKSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCCC[C@H]1C	ZINC001167956940	815839525	/nfs/dbraw/zinc/83/95/25/815839525.db2.gz	PRXGFDWFWZFEHR-AOIWGVFYSA-N	1	0	365.518	1.855	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)[NH+]1CCN(C)CC1	ZINC000435036051	815882964	/nfs/dbraw/zinc/88/29/64/815882964.db2.gz	RXYPFWNMUDGBRA-LJQANCHMSA-N	1	0	354.498	1.978	20	30		FDEDRO
COc1ccc2c(c1)OC[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)C2	ZINC000515467251	816278063	/nfs/dbraw/zinc/27/80/63/816278063.db2.gz	VKFPMRYQMDQFHB-IRXDYDNUSA-N	1	0	354.406	1.900	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCn2nc(C)cc2C)C1	ZINC001028861377	816293382	/nfs/dbraw/zinc/29/33/82/816293382.db2.gz	RTENNXJBRRLDNE-QYZOEREBSA-N	1	0	360.502	1.919	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000425437103	816294474	/nfs/dbraw/zinc/29/44/74/816294474.db2.gz	ZBDUGKHFCCNPDK-ROUUACIJSA-N	1	0	374.485	1.368	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@H+](C)CCCN1C(=O)c2ccccc2C1=O	ZINC000425548701	816515824	/nfs/dbraw/zinc/51/58/24/816515824.db2.gz	KGIQSFNWAYSOGG-UHFFFAOYSA-N	1	0	356.426	1.367	20	30		FDEDRO
C=CCn1cc(CNC(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nn1	ZINC000425569784	816550297	/nfs/dbraw/zinc/55/02/97/816550297.db2.gz	ZWKAONFTZQEDEM-RDJZCZTQSA-N	1	0	354.458	1.926	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3C)C2)CC1	ZINC000516117921	816639553	/nfs/dbraw/zinc/63/95/53/816639553.db2.gz	QJRKGQSKTQOXHE-GOSISDBHSA-N	1	0	365.485	1.570	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1	ZINC000437023575	816860881	/nfs/dbraw/zinc/86/08/81/816860881.db2.gz	IQSTXRGHQCLXBK-WMZOPIPTSA-N	1	0	359.470	1.827	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CCc2nc3ccccc3[nH]2)c1C#N	ZINC000516555329	816905696	/nfs/dbraw/zinc/90/56/96/816905696.db2.gz	BQKVZSGQNUUMAK-UHFFFAOYSA-N	1	0	351.414	1.881	20	30		FDEDRO
CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N(C)C[C@H](C)C#N)c2)CC1	ZINC000437405147	817073890	/nfs/dbraw/zinc/07/38/90/817073890.db2.gz	LJBYAQCAJQSPHI-MRXNPFEDSA-N	1	0	371.485	1.774	20	30		FDEDRO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1	ZINC000425867608	817252475	/nfs/dbraw/zinc/25/24/75/817252475.db2.gz	HOBSXRTUYIBPIE-LIRRHRJNSA-N	1	0	374.510	1.631	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1	ZINC000425891395	817331388	/nfs/dbraw/zinc/33/13/88/817331388.db2.gz	PAKBJPJIFUMHKZ-WNHJNPCNSA-N	1	0	371.481	1.473	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1	ZINC000425907612	817347820	/nfs/dbraw/zinc/34/78/20/817347820.db2.gz	CRXJWYMZJQHRJC-OALUTQOASA-N	1	0	371.481	1.428	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1	ZINC000506211512	817544830	/nfs/dbraw/zinc/54/48/30/817544830.db2.gz	SOKUXTZGVZKSTD-GOSISDBHSA-N	1	0	367.453	1.893	20	30		FDEDRO
C[C@H]1CN(Cc2cnc3c(C#N)cnn3c2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000517936919	817641527	/nfs/dbraw/zinc/64/15/27/817641527.db2.gz	BTZIVLVGZAWWEY-MAUKXSAKSA-N	1	0	353.474	1.059	20	30		FDEDRO
C[NH+](C)CCn1ccc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)n1	ZINC000517956835	817650599	/nfs/dbraw/zinc/65/05/99/817650599.db2.gz	KDIUFCVUFXQFEI-UHFFFAOYSA-N	1	0	366.469	1.274	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1	ZINC001087467121	817752141	/nfs/dbraw/zinc/75/21/41/817752141.db2.gz	FSQQPWURKBVIKP-NVXWUHKLSA-N	1	0	356.401	1.683	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)C2CCC2)CC1	ZINC000983442850	817809328	/nfs/dbraw/zinc/80/93/28/817809328.db2.gz	MXWJRCDNGLDEIS-APWZRJJASA-N	1	0	359.514	1.875	20	30		FDEDRO
C[NH+]=C(NCc1ccnc(N2CCOCC2)c1)N1CC[C@]2(CCOC2)C1	ZINC000261968197	817830789	/nfs/dbraw/zinc/83/07/89/817830789.db2.gz	LZTVMANZDZARIP-IBGZPJMESA-N	1	0	359.474	1.106	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC1(C[NH+](C)C)CCC1	ZINC000439381756	817950920	/nfs/dbraw/zinc/95/09/20/817950920.db2.gz	OSSJYVSTIVFQEW-UHFFFAOYSA-N	1	0	353.430	2.053	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)[C@@H]2CCNC2=O)C1	ZINC001087471114	818043675	/nfs/dbraw/zinc/04/36/75/818043675.db2.gz	NWVIROWGGDBTJP-OTWHNJEPSA-N	1	0	371.481	1.682	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CCNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000894421823	818048081	/nfs/dbraw/zinc/04/80/81/818048081.db2.gz	FUVJFAOPCCKJNE-YJBOKZPZSA-N	1	0	369.469	1.443	20	30		FDEDRO
CN(CC[NH+]1CCCC1)C(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000473628218	818051180	/nfs/dbraw/zinc/05/11/80/818051180.db2.gz	IRVZUZIURTUMCB-GOSISDBHSA-N	1	0	354.454	1.603	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)CN2CN=NC2=O)C1	ZINC001087473436	818214584	/nfs/dbraw/zinc/21/45/84/818214584.db2.gz	DXEJNTTYEAFMCD-IRXDYDNUSA-N	1	0	371.441	1.153	20	30		FDEDRO
C#CCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1	ZINC001087476290	818373338	/nfs/dbraw/zinc/37/33/38/818373338.db2.gz	DGBHQGDGKJZMCN-QMMLZNLJSA-N	1	0	369.509	1.944	20	30		FDEDRO
C=CCOc1ccc(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cc1	ZINC000894753369	818407411	/nfs/dbraw/zinc/40/74/11/818407411.db2.gz	HXIAOCCEUBLQCR-RTBURBONSA-N	1	0	359.470	1.992	20	30		FDEDRO
C#C[C@@H]([NH2+]Cc1cn(CC(=O)OCC)nc1-c1cnn(C)c1)C(C)(C)C	ZINC000894784133	818447449	/nfs/dbraw/zinc/44/74/49/818447449.db2.gz	DQCYROGYYMXZGH-MRXNPFEDSA-N	1	0	357.458	1.984	20	30		FDEDRO
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000507310013	818721027	/nfs/dbraw/zinc/72/10/27/818721027.db2.gz	AXYWNJKBPHZQAK-HNAYVOBHSA-N	1	0	365.474	1.429	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]Cc1nnnn1CCCC	ZINC001167985339	818741710	/nfs/dbraw/zinc/74/17/10/818741710.db2.gz	FPBMVSPNLLQWMS-RDJZCZTQSA-N	1	0	364.494	1.440	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCc1cccc(C#N)c1	ZINC000507472025	818781033	/nfs/dbraw/zinc/78/10/33/818781033.db2.gz	PZLQTEXGVNNTMP-GOSISDBHSA-N	1	0	371.485	1.343	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(=O)[nH]n2)CC[N@@H+]1Cc1ccc(C#N)c(F)c1	ZINC001087491745	819128830	/nfs/dbraw/zinc/12/88/30/819128830.db2.gz	NNCRGBYFDSVSSN-DOTOQJQBSA-N	1	0	369.400	1.976	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1	ZINC001112151920	819223784	/nfs/dbraw/zinc/22/37/84/819223784.db2.gz	BGQDPSPXPXWFEQ-MGPQQGTHSA-N	1	0	352.397	1.577	20	30		FDEDRO
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1	ZINC000520400744	819336362	/nfs/dbraw/zinc/33/63/62/819336362.db2.gz	QUROWKPZHPCOLN-QGZVFWFLSA-N	1	0	371.485	1.407	20	30		FDEDRO
Cc1nnc(CC(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)[nH]1	ZINC001075776915	819432212	/nfs/dbraw/zinc/43/22/12/819432212.db2.gz	MXSVTYDXDABVDB-DLBZAZTESA-N	1	0	350.426	1.260	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@H]2CCCC23CCOCC3)CC1	ZINC000328659215	819524281	/nfs/dbraw/zinc/52/42/81/819524281.db2.gz	SHSOTSGHDIHMIW-MSOLQXFVSA-N	1	0	362.518	1.618	20	30		FDEDRO
Cc1cn2c(n1)[C@H](CNC(=O)N1CC[NH+](C[C@H]3CCOC3)CC1)CCC2	ZINC000328658557	819524628	/nfs/dbraw/zinc/52/46/28/819524628.db2.gz	RGDYONGIJNLAPW-SJORKVTESA-N	1	0	361.490	1.637	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(N3CCOCC3)nc2)C1	ZINC000328716789	819540782	/nfs/dbraw/zinc/54/07/82/819540782.db2.gz	PCUINMGQEUMMIX-KRWDZBQOSA-N	1	0	361.490	1.654	20	30		FDEDRO
C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H]2CCC(=O)NC23CCC3)CC1	ZINC000328716124	819540801	/nfs/dbraw/zinc/54/08/01/819540801.db2.gz	TVTGXCSCLNLKDD-GOEBONIOSA-N	1	0	366.506	1.967	20	30		FDEDRO
NC(=O)c1cnn2c1C[C@H](CNC(=O)N[C@@H]1CC[N@@H+]3CCCC[C@H]13)CC2	ZINC000328918988	819592761	/nfs/dbraw/zinc/59/27/61/819592761.db2.gz	LIDHFAPFCHGTQW-BPLDGKMQSA-N	1	0	360.462	1.459	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCc4ccccc43)C[C@@H]2O)[nH]1	ZINC001083413657	820013686	/nfs/dbraw/zinc/01/36/86/820013686.db2.gz	YSWVSZHCQALDFU-QRVBRYPASA-N	1	0	350.422	1.739	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccnc(F)c3)[C@H]2CC)C1=O	ZINC001087517318	820319977	/nfs/dbraw/zinc/31/99/77/820319977.db2.gz	QTKFPIXIBUCJPG-XHSDSOJGSA-N	1	0	360.433	1.590	20	30		FDEDRO
CN1c2ccccc2N(C)C1=C1C(=N)N(CC[N@H+]2CC=CCC2)CC1=O	ZINC000280840352	820423371	/nfs/dbraw/zinc/42/33/71/820423371.db2.gz	ALZACMZPFAJFFZ-UHFFFAOYSA-N	1	0	351.454	1.908	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1)n1cnc(C#N)n1	ZINC000467426084	820442432	/nfs/dbraw/zinc/44/24/32/820442432.db2.gz	CJCKBWNNFPWNBY-CYBMUJFWSA-N	1	0	354.414	1.306	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnccc3C)[C@H]2CC)C1=O	ZINC001087529092	820601792	/nfs/dbraw/zinc/60/17/92/820601792.db2.gz	PKEZHGLETFFRFF-KSZLIROESA-N	1	0	356.470	1.760	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1	ZINC000984034068	820620755	/nfs/dbraw/zinc/62/07/55/820620755.db2.gz	LYDADOFFLULARV-KEYYUXOJSA-N	1	0	353.426	1.851	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1CCCN1CCCC1=O	ZINC001087534165	820826806	/nfs/dbraw/zinc/82/68/06/820826806.db2.gz	QKORVUBURACXOR-DOTOQJQBSA-N	1	0	357.458	1.482	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1Cc1ccc(C(N)=O)cc1	ZINC001087534565	820868090	/nfs/dbraw/zinc/86/80/90/820868090.db2.gz	AWSOYSGFYKFAOC-FUHWJXTLSA-N	1	0	365.437	1.768	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC[N@@H+]1C	ZINC000442167946	821074242	/nfs/dbraw/zinc/07/42/42/821074242.db2.gz	PYBXADTVKVSCDO-PWSUYJOCSA-N	1	0	366.368	1.697	20	30		FDEDRO
C=C(Br)CN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1	ZINC001075810474	821205310	/nfs/dbraw/zinc/20/53/10/821205310.db2.gz	GQMVYPJNQMLDJA-LXTVHRRPSA-N	1	0	356.308	1.768	20	30		FDEDRO
COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1	ZINC000521585367	821294323	/nfs/dbraw/zinc/29/43/23/821294323.db2.gz	PFNHSDBYFVSFHE-ZWOKBUDYSA-N	1	0	361.486	1.477	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2ccccc2N2CCOCC2)CC1	ZINC000521600480	821302737	/nfs/dbraw/zinc/30/27/37/821302737.db2.gz	MGLJSJZXZWBXNN-UHFFFAOYSA-N	1	0	358.486	1.973	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c1	ZINC000521820925	821363909	/nfs/dbraw/zinc/36/39/09/821363909.db2.gz	FLQCETVSTLFBNX-GOSISDBHSA-N	1	0	354.454	1.413	20	30		FDEDRO
COCCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1snc(C)c1C#N	ZINC001126537577	821368769	/nfs/dbraw/zinc/36/87/69/821368769.db2.gz	DOACVGUTTOOMOK-ZIAGYGMSSA-N	1	0	365.503	1.232	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C2CN(C(C)=O)C2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087554832	821429847	/nfs/dbraw/zinc/42/98/47/821429847.db2.gz	ZXUTZLTUDCUMBJ-RBUKOAKNSA-N	1	0	354.454	1.506	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CC[N@H+](C)C[C@H]1C	ZINC000522097495	821504411	/nfs/dbraw/zinc/50/44/11/821504411.db2.gz	DRQOZHQXUQUACH-CQSZACIVSA-N	1	0	361.490	1.588	20	30		FDEDRO
C[C@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)[C@H]1CCS(=O)(=O)C1	ZINC000895186844	821582459	/nfs/dbraw/zinc/58/24/59/821582459.db2.gz	CMEITBQXVMFGDS-YJBOKZPZSA-N	1	0	361.511	1.935	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H](Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1	ZINC000895201702	821801953	/nfs/dbraw/zinc/80/19/53/821801953.db2.gz	OKJRININPLWWHX-QGZVFWFLSA-N	1	0	363.483	1.217	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3occc3C)[C@H]2CC)C1=O	ZINC001087716843	822179904	/nfs/dbraw/zinc/17/99/04/822179904.db2.gz	GOSZPDVQIRYCTA-BBWFWOEESA-N	1	0	359.470	1.887	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCNC2=O)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087723360	822216500	/nfs/dbraw/zinc/21/65/00/822216500.db2.gz	MOYMCFSYMYPLKM-QKLQHJQFSA-N	1	0	354.454	1.554	20	30		FDEDRO
C[C@@H](Nc1c(C#N)cnc2c(F)c(F)c(F)cc21)[C@H]1C[N@H+](C)CCN1C	ZINC000895245951	822233234	/nfs/dbraw/zinc/23/32/34/822233234.db2.gz	KFPJLQJBQLTGQU-QMTHXVAHSA-N	1	0	363.387	1.992	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](C)O[C@H](C)[C@@H]3C)CC2)o1	ZINC000446061935	828414016	/nfs/dbraw/zinc/41/40/16/828414016.db2.gz	MVFYIXPDOZHDSO-MELADBBJSA-N	1	0	361.446	1.001	20	30		FDEDRO
N#C[C@@H]1CSCCN1CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O	ZINC000840038590	822409305	/nfs/dbraw/zinc/40/93/05/822409305.db2.gz	BCZOVRCOMGQDNX-ZACQAIPSSA-N	1	0	370.478	1.002	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087775967	822414572	/nfs/dbraw/zinc/41/45/72/822414572.db2.gz	DBGXSPPORXFMBK-FUHWJXTLSA-N	1	0	365.437	1.768	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCc3ccnn3C)[C@@H]2CC)cn1	ZINC001087801251	822460831	/nfs/dbraw/zinc/46/08/31/822460831.db2.gz	FKJCVOGJJRLYRS-RBUKOAKNSA-N	1	0	351.454	1.622	20	30		FDEDRO
N#Cc1ccc([C@H]([NH2+]CCCN(C(=O)C2CCC2)C2CC2)C(N)=O)cc1	ZINC000522374028	822531962	/nfs/dbraw/zinc/53/19/62/822531962.db2.gz	CUBNPZWCJBKMDL-SFHVURJKSA-N	1	0	354.454	1.855	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N(C)C2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087841523	822566063	/nfs/dbraw/zinc/56/60/63/822566063.db2.gz	BEALDISBZSFQQR-GBESFXJTSA-N	1	0	368.481	1.896	20	30		FDEDRO
O=C(NCC#C[C@H]1CCCCO1)NCC1CC[NH+](C2CCOCC2)CC1	ZINC000895637673	822683331	/nfs/dbraw/zinc/68/33/31/822683331.db2.gz	XYJZJZGOPALXSU-LJQANCHMSA-N	1	0	363.502	1.749	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(C)n4C)C[C@@H]3C2)C1=O	ZINC001087884086	822711753	/nfs/dbraw/zinc/71/17/53/822711753.db2.gz	ZIGMVGVXUNPJEW-ZIFCJYIRSA-N	1	0	370.497	1.514	20	30		FDEDRO
C=C(C)C[C@@H](CO)[NH2+]C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1	ZINC000895712827	822713936	/nfs/dbraw/zinc/71/39/36/822713936.db2.gz	DMQYEAVSXWKIIW-HOTGVXAUSA-N	1	0	369.506	1.666	20	30		FDEDRO
C[N@@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001029841052	828491818	/nfs/dbraw/zinc/49/18/18/828491818.db2.gz	IZMBLSUXXPCWIG-VUCTXSBTSA-N	1	0	358.417	1.099	20	30		FDEDRO
C=C(Br)CN1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2C1	ZINC001087908593	823745097	/nfs/dbraw/zinc/74/50/97/823745097.db2.gz	HAMWKLJIYIDEED-QLFBSQMISA-N	1	0	356.308	1.770	20	30		FDEDRO
CCOC(=O)CNC(=O)C1CC[NH+](Cc2cc(C#N)ccc2OC)CC1	ZINC000441121948	828582309	/nfs/dbraw/zinc/58/23/09/828582309.db2.gz	YISORUREZKSMIN-UHFFFAOYSA-N	1	0	359.426	1.458	20	30		FDEDRO
C[NH+](C)C[C@H]1COC2(CCCC2)CN1Cc1cnc2c(C#N)cnn2c1	ZINC000895992477	823914042	/nfs/dbraw/zinc/91/40/42/823914042.db2.gz	HZOWXNDPISLYDV-KRWDZBQOSA-N	1	0	354.458	1.676	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[N@@H+](C[C@H]4CCc5ncnn54)CC[C@@H]3C2)c1	ZINC001087925071	823935747	/nfs/dbraw/zinc/93/57/47/823935747.db2.gz	WCWSRBABMKCVJQ-OWCLPIDISA-N	1	0	365.441	1.059	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]3C2)C1=O	ZINC001087925470	823936901	/nfs/dbraw/zinc/93/69/01/823936901.db2.gz	OCFNRUYKGBGLBZ-RYRKJORJSA-N	1	0	367.453	1.067	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[N@@H+](C[C@@H]4CCNC(=O)CC4)CC[C@@H]3C2)c1	ZINC001087925583	823937030	/nfs/dbraw/zinc/93/70/30/823937030.db2.gz	UGNGWIANSYPTME-UAGQMJEPSA-N	1	0	369.469	1.197	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[N@@H+](C[C@H]4CCNC(=O)CC4)CC[C@@H]3C2)c1	ZINC001087925582	823937737	/nfs/dbraw/zinc/93/77/37/823937737.db2.gz	UGNGWIANSYPTME-OIISXLGYSA-N	1	0	369.469	1.197	20	30		FDEDRO
COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]3C2)cn1	ZINC001087925652	823938083	/nfs/dbraw/zinc/93/80/83/823938083.db2.gz	XWVUPURXWXGGIA-SJORKVTESA-N	1	0	365.437	1.884	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@@H]4COC(=O)C4)C[C@@H]3C2)c1	ZINC001087933791	823989822	/nfs/dbraw/zinc/98/98/22/823989822.db2.gz	FVXNARANQONZBD-OTWHNJEPSA-N	1	0	367.449	1.792	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)CC[C@@H]2C1)n1cncn1	ZINC001087940393	824035961	/nfs/dbraw/zinc/03/59/61/824035961.db2.gz	HSRSHJALTXQPAU-KFWWJZLASA-N	1	0	370.482	1.753	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]3C2)C1=O	ZINC001087940848	824038603	/nfs/dbraw/zinc/03/86/03/824038603.db2.gz	ZCWGJJKSENQPIU-UWWQBHOKSA-N	1	0	367.453	1.067	20	30		FDEDRO
CC(C)[C@@H](O)C(=O)N1C[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)CC[C@@H]2C1	ZINC001087955334	824142811	/nfs/dbraw/zinc/14/28/11/824142811.db2.gz	HXOUOAORDGVAKE-WSTZPKSXSA-N	1	0	358.457	1.974	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H]2C[N@H+](CC(=O)N3CCCCCCC3)CC[C@@H]2C1	ZINC001087962010	824182824	/nfs/dbraw/zinc/18/28/24/824182824.db2.gz	UDBQPTUYCYLSFK-UXHICEINSA-N	1	0	371.525	1.973	20	30		FDEDRO
CO[C@H](C)c1noc(CN2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)n1	ZINC001087962188	824198088	/nfs/dbraw/zinc/19/80/88/824198088.db2.gz	CDPWYOPEWUCBDX-BMFZPTHFSA-N	1	0	358.442	1.471	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN(C(=O)C4CC4)C3)C[C@@H]2C1	ZINC001087977832	824327632	/nfs/dbraw/zinc/32/76/32/824327632.db2.gz	XZTRATOBWAIVCY-QYZOEREBSA-N	1	0	359.514	1.991	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C(F)(F)F)n(C)n3)C[C@@H]2C1	ZINC001087979356	824341961	/nfs/dbraw/zinc/34/19/61/824341961.db2.gz	WQYQWHKIVYPQLX-OLZOCXBDSA-N	1	0	354.376	1.856	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CCCCC(N)=O)C[C@H]1C(F)(F)F	ZINC001112191208	828638910	/nfs/dbraw/zinc/63/89/10/828638910.db2.gz	NUPCKKGRJCLJFH-CHWSQXEVSA-N	1	0	365.396	1.214	20	30		FDEDRO
CC(=O)N1CCC[C@@](O)(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1	ZINC000329060377	824549976	/nfs/dbraw/zinc/54/99/76/824549976.db2.gz	UOCOLLUJQKLBBA-FQEVSTJZSA-N	1	0	374.485	1.395	20	30		FDEDRO
C[C@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)[C@@H]1C[N@H+](C)CCN1C	ZINC000896542486	824553950	/nfs/dbraw/zinc/55/39/50/824553950.db2.gz	RUEXJUXSKUJCKJ-GMBSWORKSA-N	1	0	373.476	1.274	20	30		FDEDRO
Cn1nccc1[C@@H]1[C@@H](C(=O)NC2CC([NH+]3CCCCC3)C2)CC(=O)N1C	ZINC000329069117	824554825	/nfs/dbraw/zinc/55/48/25/824554825.db2.gz	MRTHAOIHUNAVCS-GULCKSEBSA-N	1	0	359.474	1.913	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)CC[N@@H+]1C	ZINC000329076819	824561105	/nfs/dbraw/zinc/56/11/05/824561105.db2.gz	PXSJFNZSRWKMCV-ZFHGCVPZSA-N	1	0	374.489	1.211	20	30		FDEDRO
C[C@H](NC(=O)CCCCOc1cccc(C#N)c1)[C@H]1C[N@H+](C)CCN1C	ZINC000896561057	824589421	/nfs/dbraw/zinc/58/94/21/824589421.db2.gz	VIOYRFVHXXWRFB-QFBILLFUSA-N	1	0	358.486	1.858	20	30		FDEDRO
CC(C)c1cc(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)cc(=O)[nH]1	ZINC000329159503	824634150	/nfs/dbraw/zinc/63/41/50/824634150.db2.gz	DVCCNVAHFOJVPF-MRXNPFEDSA-N	1	0	360.458	1.910	20	30		FDEDRO
Cc1c(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)cnn1CC(C)C	ZINC000329160927	824638642	/nfs/dbraw/zinc/63/86/42/824638642.db2.gz	FKHYHEXDVHLRJW-KRWDZBQOSA-N	1	0	361.490	1.847	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000329293250	824719883	/nfs/dbraw/zinc/71/98/83/824719883.db2.gz	RMCUWPJAOOYJPU-INMHGKMJSA-N	1	0	363.506	1.653	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2cccc3c2OCO3)CC1	ZINC000329334620	824742528	/nfs/dbraw/zinc/74/25/28/824742528.db2.gz	OCWCUQKOYMCLFN-CQSZACIVSA-N	1	0	360.414	1.199	20	30		FDEDRO
O=C(N[C@H]1CCCN(C(=O)N2CCCC2)C1)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000329361812	824755754	/nfs/dbraw/zinc/75/57/54/824755754.db2.gz	YRHWRHOTPKBQNI-IRXDYDNUSA-N	1	0	361.490	1.527	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1	ZINC000329510864	824844413	/nfs/dbraw/zinc/84/44/13/824844413.db2.gz	BURQXSZJEJLPDM-INIZCTEOSA-N	1	0	363.462	1.594	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)cn2)CC1	ZINC000329527414	824854088	/nfs/dbraw/zinc/85/40/88/824854088.db2.gz	SADJWVXAFFHUJD-JENIJYKNSA-N	1	0	374.485	1.732	20	30		FDEDRO
C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21	ZINC000329533723	824861668	/nfs/dbraw/zinc/86/16/68/824861668.db2.gz	KNMDZUFWVNDXNW-RVKKMQEKSA-N	1	0	369.469	1.725	20	30		FDEDRO
COc1nnccc1NC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000329587517	824904516	/nfs/dbraw/zinc/90/45/16/824904516.db2.gz	XIJAPCJGOTWMCG-KBPBESRZSA-N	1	0	363.462	1.852	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2C[N@H+]([C@H](C)C(=O)N(C)C)CC[C@@H]2C1	ZINC001087992949	824955772	/nfs/dbraw/zinc/95/57/72/824955772.db2.gz	SWMCTOSAQJYEFT-ZACQAIPSSA-N	1	0	358.486	1.545	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4c3oc(=O)n4C)C[C@@H]2C1	ZINC001087993310	824957660	/nfs/dbraw/zinc/95/76/60/824957660.db2.gz	JXSRQOHXAHZFAX-CABCVRRESA-N	1	0	353.422	1.549	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)Cc3ccoc3)[C@H]2CC)CC1	ZINC000984803708	824974597	/nfs/dbraw/zinc/97/45/97/824974597.db2.gz	PXCIOOKZSYMFNJ-RBUKOAKNSA-N	1	0	371.481	1.663	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c(c3)NC(=O)CO4)C[C@@H]2C1	ZINC001088000912	825064662	/nfs/dbraw/zinc/06/46/62/825064662.db2.gz	JRTPZQSUYKJQOY-CVEARBPZSA-N	1	0	353.422	1.435	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ocnc3C)CC[C@@H]2C1	ZINC001087998111	825075265	/nfs/dbraw/zinc/07/52/65/825075265.db2.gz	RRZFVIGOQOKRHX-SQNIBIBYSA-N	1	0	356.470	1.361	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cn[nH]c(=O)c4)C[C@@H]3C2)cc1	ZINC001088004568	825129690	/nfs/dbraw/zinc/12/96/90/825129690.db2.gz	HZOMBRUTVDILGV-AEFFLSMTSA-N	1	0	363.421	1.648	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C([O-])=[NH+][C@H]2CCc3nc[nH]c3C2)CC1	ZINC000329696484	825323609	/nfs/dbraw/zinc/32/36/09/825323609.db2.gz	BVRDJHIFSIQVFP-BBWFWOEESA-N	1	0	374.533	1.671	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccn(CC)n2)C[C@H]1C(F)(F)F	ZINC001112173857	825326400	/nfs/dbraw/zinc/32/64/00/825326400.db2.gz	RGVKDASHHGIMCS-TZMCWYRMSA-N	1	0	360.380	1.698	20	30		FDEDRO
C[C@H](C(=O)NC1CC1)N1CCN(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC1	ZINC000329718466	825364220	/nfs/dbraw/zinc/36/42/20/825364220.db2.gz	YVLNPCQAIZJDQR-LSDHHAIUSA-N	1	0	363.506	1.676	20	30		FDEDRO
C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CN2CCN(C)C(=O)C2)CC1	ZINC000329729674	825386875	/nfs/dbraw/zinc/38/68/75/825386875.db2.gz	PGYMLPVYVICBTB-INIZCTEOSA-N	1	0	358.486	1.943	20	30		FDEDRO
C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)CC1	ZINC000329766579	825437081	/nfs/dbraw/zinc/43/70/81/825437081.db2.gz	YIXXMQUTWRXUJJ-KVSKMBFKSA-N	1	0	369.506	1.263	20	30		FDEDRO
C[NH+](C)[C@H]1CCN(C(=O)Nc2cccc(N3C(=O)NC(C)(C)C3=O)c2)C1	ZINC000329849783	825499895	/nfs/dbraw/zinc/49/98/95/825499895.db2.gz	ZJRPABYOOHEYQJ-AWEZNQCLSA-N	1	0	359.430	1.907	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3nc(C)c[nH]3)[C@H]2CC)CC1	ZINC000984931996	825525921	/nfs/dbraw/zinc/52/59/21/825525921.db2.gz	RZNSPOOXCYEJOT-DLBZAZTESA-N	1	0	371.485	1.173	20	30		FDEDRO
Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)no1	ZINC000329901557	825535098	/nfs/dbraw/zinc/53/50/98/825535098.db2.gz	HAMYLFUFFTVFQE-YDHLFZDLSA-N	1	0	366.441	1.031	20	30		FDEDRO
CN1CCc2ccc(NC(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)cc2C1=O	ZINC000329946046	825557693	/nfs/dbraw/zinc/55/76/93/825557693.db2.gz	GDZHUWWQUYTNTG-HNNXBMFYSA-N	1	0	372.469	1.514	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)N2C[C@H](C)O[C@]3(CCOC3)C2)CC1	ZINC000329947418	825558901	/nfs/dbraw/zinc/55/89/01/825558901.db2.gz	HAFWYFIGXBPNII-ZIFCJYIRSA-N	1	0	368.522	1.054	20	30		FDEDRO
O=C(CN1CC[NH+](C2CCC2)CC1)Nc1cc(-n2cnnn2)ccc1F	ZINC000329994576	825585048	/nfs/dbraw/zinc/58/50/48/825585048.db2.gz	ZJWXQVLRPUJACW-UHFFFAOYSA-N	1	0	359.409	1.560	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccnc4[nH]c(CC)nc43)C[C@@H]2C1	ZINC001088049013	825587514	/nfs/dbraw/zinc/58/75/14/825587514.db2.gz	MTCMEYWOJBFYCO-CABCVRRESA-N	1	0	351.454	1.938	20	30		FDEDRO
CN(C)c1ncn(-c2cccc(NC(=O)N3CC[C@H]([NH+]4CC=CC4)C3)c2)n1	ZINC000330011281	825601049	/nfs/dbraw/zinc/60/10/49/825601049.db2.gz	ISQKZBJZIBMZDN-KRWDZBQOSA-N	1	0	367.457	1.825	20	30		FDEDRO
CCC(=O)N1CC[C@H](NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C1	ZINC000330033269	825606355	/nfs/dbraw/zinc/60/63/55/825606355.db2.gz	VKAQBQVIOCDXHQ-INIZCTEOSA-N	1	0	365.522	1.060	20	30		FDEDRO
O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CC[C@@H](N2CCCC2=O)C1	ZINC000330042819	825608660	/nfs/dbraw/zinc/60/86/60/825608660.db2.gz	DWOYVCGCWXVGGJ-MRXNPFEDSA-N	1	0	364.490	1.242	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnoc3-c3cnn(C)c3)C[C@@H]2C1	ZINC001088052173	825630739	/nfs/dbraw/zinc/63/07/39/825630739.db2.gz	AZHSZXYJMKQGFT-ZBFHGGJFSA-N	1	0	353.426	1.492	20	30		FDEDRO
CCn1nccc1N1CCC[C@H](NC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1=O	ZINC000330114545	825648335	/nfs/dbraw/zinc/64/83/35/825648335.db2.gz	SWKFBEOCJINYCN-ZNMIVQPWSA-N	1	0	362.478	1.385	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCOC2CCCCC2)CC1	ZINC000330123782	825657162	/nfs/dbraw/zinc/65/71/62/825657162.db2.gz	LCICCWYPBWYPRI-KRWDZBQOSA-N	1	0	366.506	1.488	20	30		FDEDRO
[O-]C(=[NH+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCC[C@H](n2cncn2)C1	ZINC000330244821	825764148	/nfs/dbraw/zinc/76/41/48/825764148.db2.gz	XJUUIJOOCMXPNS-BBWFWOEESA-N	1	0	362.478	1.207	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCCc2c1cnn2C	ZINC000330250466	825766734	/nfs/dbraw/zinc/76/67/34/825766734.db2.gz	GVWAMJYTJKMVHC-RHSMWYFYSA-N	1	0	361.490	1.897	20	30		FDEDRO
Cc1nc2n(n1)C[C@@H]([NH+]=C([O-])N1CC[N@H+](C3CCOCC3)C[C@H]1C)CC2	ZINC000330254639	825768267	/nfs/dbraw/zinc/76/82/67/825768267.db2.gz	JNTGZZXHLDPAAM-HIFRSBDPSA-N	1	0	362.478	1.000	20	30		FDEDRO
C[NH+]1CCN(CCNC(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)CC1	ZINC000330270278	825783140	/nfs/dbraw/zinc/78/31/40/825783140.db2.gz	TWMXSTMXLGPACJ-SFHVURJKSA-N	1	0	359.430	1.338	20	30		FDEDRO
C[NH+](C)CCN1CCC(NC(=O)N[C@H]2CCOC3(CCOCC3)C2)CC1	ZINC000330271725	825784227	/nfs/dbraw/zinc/78/42/27/825784227.db2.gz	WKLFYVMBUHCEJP-KRWDZBQOSA-N	1	0	368.522	1.244	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC(OC[C@@H]2CCCCO2)CC1	ZINC000330307018	825864835	/nfs/dbraw/zinc/86/48/35/825864835.db2.gz	LRAHDRYMKHZBCK-AEFFLSMTSA-N	1	0	368.522	1.196	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@H+](C)[C@@H]2CCN(CC=C)C2=O)c(OC)c1	ZINC000281173949	825901318	/nfs/dbraw/zinc/90/13/18/825901318.db2.gz	ALNIUXZZRANWDA-ZWKOTPCHSA-N	1	0	374.481	1.882	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cnc(C)nc1	ZINC001029511693	825913238	/nfs/dbraw/zinc/91/32/38/825913238.db2.gz	YFMWCLHCQVOZFV-RDGPPVDQSA-N	1	0	356.470	1.941	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1	ZINC000281501130	825971949	/nfs/dbraw/zinc/97/19/49/825971949.db2.gz	IECFSENBOAJXDS-SFHVURJKSA-N	1	0	354.454	1.546	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCCO3)[C@@H]2CC)CC1	ZINC000984989417	826006901	/nfs/dbraw/zinc/00/69/01/826006901.db2.gz	RGBINDUUBAOWDS-KSZLIROESA-N	1	0	361.486	1.006	20	30		FDEDRO
[NH2+]=C(NCCc1cn2c(n1)SCC2)N1CCN(c2ccc(F)cc2)CC1	ZINC000262377340	826176032	/nfs/dbraw/zinc/17/60/32/826176032.db2.gz	JSPVDOQCOCJTPV-UHFFFAOYSA-N	1	0	374.489	1.807	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCN(CC(F)(F)F)C3)C[C@@H]2C1	ZINC001088082302	826190068	/nfs/dbraw/zinc/19/00/68/826190068.db2.gz	GUSRAINHVVCJOX-PMPSAXMXSA-N	1	0	357.420	1.674	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1	ZINC000281768731	826233363	/nfs/dbraw/zinc/23/33/63/826233363.db2.gz	LVOTZNZODFIRIJ-XJKSGUPXSA-N	1	0	355.398	1.303	20	30		FDEDRO
N#Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@H]3C2)ccc1F	ZINC001088108261	826425049	/nfs/dbraw/zinc/42/50/49/826425049.db2.gz	PBARRXHOJPIZMM-XBVQOTNRSA-N	1	0	370.428	1.099	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(-c3noc([C@]4(C#N)CCCOC4)n3)cn2)CC1	ZINC000866905232	826625791	/nfs/dbraw/zinc/62/57/91/826625791.db2.gz	WRCROPZJEWYWMM-IBGZPJMESA-N	1	0	368.441	1.845	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cnc(OC)c(Br)c2)CC1	ZINC000928649064	826731359	/nfs/dbraw/zinc/73/13/59/826731359.db2.gz	GIALKWDEEGMTCZ-UHFFFAOYSA-N	1	0	352.232	1.680	20	30		FDEDRO
C=C(Cl)CN1CC[C@@H]2CN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C[C@@H]2C1	ZINC001088149864	826747565	/nfs/dbraw/zinc/74/75/65/826747565.db2.gz	ZTHDQQXPTUPOHS-OLZOCXBDSA-N	1	0	366.849	1.272	20	30		FDEDRO
CC(=O)N1CCC[C@H](CNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)C1	ZINC000262437957	826791324	/nfs/dbraw/zinc/79/13/24/826791324.db2.gz	GVWQCLLJKTZNMW-MRXNPFEDSA-N	1	0	361.465	1.521	20	30		FDEDRO
CN1CCN(c2nccc(Oc3cccc(C#N)c3)n2)CC[N@H+](C)CC1	ZINC000897093849	826916802	/nfs/dbraw/zinc/91/68/02/826916802.db2.gz	JJCLHNSZEHBMNJ-UHFFFAOYSA-N	1	0	352.442	1.824	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2CC)nc1	ZINC000985211936	826919655	/nfs/dbraw/zinc/91/96/55/826919655.db2.gz	MUOIBVBCLVADEG-VDZJLULYSA-N	1	0	368.481	1.657	20	30		FDEDRO
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@@]1(O)CC[N@H+](C)C1	ZINC000475197594	827019251	/nfs/dbraw/zinc/01/92/51/827019251.db2.gz	MZRITOXGCXZKJA-FQEVSTJZSA-N	1	0	359.470	1.660	20	30		FDEDRO
COc1c2ccccc2oc1CNC(=[NH2+])N1CCN(c2ncccn2)CC1	ZINC000262466555	827062067	/nfs/dbraw/zinc/06/20/67/827062067.db2.gz	GIAWRTXWOQUBLV-UHFFFAOYSA-N	1	0	366.425	1.868	20	30		FDEDRO
Cn1cncc1CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)CC[C@@H]2C1	ZINC001088170710	827232336	/nfs/dbraw/zinc/23/23/36/827232336.db2.gz	CIXCFVFXUZAYIN-CABCVRRESA-N	1	0	369.494	1.876	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC(=O)N4)C[C@@H]3C2)cc1F	ZINC001088176837	827273963	/nfs/dbraw/zinc/27/39/63/827273963.db2.gz	RVNGJPNKXVLLIH-RYRKJORJSA-N	1	0	370.428	1.256	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cnnn4)c3)C[C@@H]2C1	ZINC001088196414	827408157	/nfs/dbraw/zinc/40/81/57/827408157.db2.gz	HBENDPBJLLHESK-SJORKVTESA-N	1	0	350.426	1.080	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3-n3cnnn3)C[C@@H]2C1	ZINC001088197022	827411786	/nfs/dbraw/zinc/41/17/86/827411786.db2.gz	NBBBVWIGFVOZJV-CVEARBPZSA-N	1	0	350.426	1.080	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c(c3)nnn4CC)C[C@@H]2C1	ZINC001088197653	827415539	/nfs/dbraw/zinc/41/55/39/827415539.db2.gz	WTRCLNBJGNKRTL-SJORKVTESA-N	1	0	351.454	1.868	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4c[nH]cc4C)C[C@@H]3C2)C1=O	ZINC001088199254	827429341	/nfs/dbraw/zinc/42/93/41/827429341.db2.gz	HZNKGBGHRNEVTH-SOLBZPMBSA-N	1	0	356.470	1.504	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(CC)n2)C[C@H]1C(F)(F)F	ZINC001112180597	827435404	/nfs/dbraw/zinc/43/54/04/827435404.db2.gz	FICXJFGTYHVWEV-DGCLKSJQSA-N	1	0	358.364	1.432	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(=O)CCC)C[C@@H]2C1	ZINC001088210293	827484873	/nfs/dbraw/zinc/48/48/73/827484873.db2.gz	GBWAEZUYYKCOMQ-QYZOEREBSA-N	1	0	359.514	1.971	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(CO[C@@H]2CC[N@@H+](CCO)C2)CC1	ZINC001088233836	827596727	/nfs/dbraw/zinc/59/67/27/827596727.db2.gz	AZDCAHYVJLIATD-QRVBRYPASA-N	1	0	366.502	1.289	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCC[N@@H+](C)C2CC2)cc1	ZINC000523038204	827612221	/nfs/dbraw/zinc/61/22/21/827612221.db2.gz	PENNSGWBGMNYEH-UHFFFAOYSA-N	1	0	359.430	1.143	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C(=O)NCC(F)(F)F)C[C@H]1C(F)(F)F	ZINC001112186009	827920497	/nfs/dbraw/zinc/92/04/97/827920497.db2.gz	RHTRRFDUMHYBQX-RKDXNWHRSA-N	1	0	361.286	1.220	20	30		FDEDRO
CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=[NH2+])N1CCN(c2ncccn2)CC1	ZINC000262540341	828073946	/nfs/dbraw/zinc/07/39/46/828073946.db2.gz	RPOQPKOMKHADRP-CVEARBPZSA-N	1	0	360.506	1.755	20	30		FDEDRO
COc1cc(OC)cc(N2CCCN(CC(=O)NC3(C#N)CCC3)CC2)c1	ZINC000527128372	828961173	/nfs/dbraw/zinc/96/11/73/828961173.db2.gz	JDZJJIOQLXHDCK-UHFFFAOYSA-N	1	0	372.469	1.778	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@@H+](C)CCc2ccnn2C)CC1	ZINC000985693785	829014246	/nfs/dbraw/zinc/01/42/46/829014246.db2.gz	COHOVTGTUXOLES-OALUTQOASA-N	1	0	360.502	1.867	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)n(CCC#N)n1	ZINC000527366985	829039146	/nfs/dbraw/zinc/03/91/46/829039146.db2.gz	SJOZXSRVFBCMEW-OAHLLOKOSA-N	1	0	358.446	1.131	20	30		FDEDRO
N#Cc1cccnc1OC1CCC(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1	ZINC000527367959	829039899	/nfs/dbraw/zinc/03/98/99/829039899.db2.gz	BELWWYBEYVIFOP-ABHNRTSZSA-N	1	0	369.469	1.149	20	30		FDEDRO
Cn1c(C#N)ccc1C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1	ZINC000448710483	829221832	/nfs/dbraw/zinc/22/18/32/829221832.db2.gz	URQMFPZYXUXJOD-UHFFFAOYSA-N	1	0	351.454	1.574	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)c1nnn(-c2cnn(C)c2)c1C)C(C)C	ZINC000448973848	829317967	/nfs/dbraw/zinc/31/79/67/829317967.db2.gz	GKLZTMDIJUPMIG-QGZVFWFLSA-N	1	0	371.489	1.738	20	30		FDEDRO
Cc1ccc(I)cc1NC(=O)N[C@H]1C[NH2+]C[C@H]1C#N	ZINC000841196497	829332452	/nfs/dbraw/zinc/33/24/52/829332452.db2.gz	RJHVTIZZFHBMDG-SKDRFNHKSA-N	1	0	370.194	1.833	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1	ZINC000528365072	829361074	/nfs/dbraw/zinc/36/10/74/829361074.db2.gz	BBZXUDOZBDAXNA-ROUUACIJSA-N	1	0	373.453	1.011	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1	ZINC000528381180	829371990	/nfs/dbraw/zinc/37/19/90/829371990.db2.gz	PUHGJEVRGWEJSE-IAGOWNOFSA-N	1	0	367.453	1.715	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1	ZINC000528381171	829372480	/nfs/dbraw/zinc/37/24/80/829372480.db2.gz	PUHGJEVRGWEJSE-DLBZAZTESA-N	1	0	367.453	1.715	20	30		FDEDRO
COCCCOC1CC[NH+](CC#CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000528391131	829378648	/nfs/dbraw/zinc/37/86/48/829378648.db2.gz	QWWFBVSJNMBYFM-UHFFFAOYSA-N	1	0	370.449	1.804	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCN2CCCC2=O)C1	ZINC001088385798	829382788	/nfs/dbraw/zinc/38/27/88/829382788.db2.gz	UGMJELSDBGIGRD-KURKYZTESA-N	1	0	363.502	1.561	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[NH+]1CCC(OCCCO)CC1	ZINC000528408347	829389998	/nfs/dbraw/zinc/38/99/98/829389998.db2.gz	ZCRAUGVWDYZNJI-UHFFFAOYSA-N	1	0	356.422	1.149	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C[C@@H](O)COc1ccccc1C#N	ZINC000528427446	829399446	/nfs/dbraw/zinc/39/94/46/829399446.db2.gz	YXEYJACGXIBBRH-SOAMZJECSA-N	1	0	359.470	1.481	20	30		FDEDRO
Cn1ccnc1[C@H](O)C1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1	ZINC000528424260	829404165	/nfs/dbraw/zinc/40/41/65/829404165.db2.gz	LMGLWZHYTRRGTQ-IEBWSBKVSA-N	1	0	370.453	1.477	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1	ZINC000528424068	829404270	/nfs/dbraw/zinc/40/42/70/829404270.db2.gz	WRVDDGUMTYYYGX-BHIYHBOVSA-N	1	0	369.465	1.773	20	30		FDEDRO
CC(=O)NC1CCC([N@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000528440699	829411469	/nfs/dbraw/zinc/41/14/69/829411469.db2.gz	KNDAFOHUKDKONP-UHFFFAOYSA-N	1	0	367.449	1.665	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)CN1CCN(c2ncc(F)cn2)CC1	ZINC000528452238	829417716	/nfs/dbraw/zinc/41/77/16/829417716.db2.gz	UVWHYURFOJJYMG-INIZCTEOSA-N	1	0	357.389	1.049	20	30		FDEDRO
Cn1cc(C[NH2+]C[C@H]2CCCN2CCCO)c(-c2ccc(C#N)cc2)n1	ZINC000449391295	829481099	/nfs/dbraw/zinc/48/10/99/829481099.db2.gz	YBFHNVRATNZMHE-LJQANCHMSA-N	1	0	353.470	1.895	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CCCS(=O)(=O)C(C)C	ZINC001168110459	829554311	/nfs/dbraw/zinc/55/43/11/829554311.db2.gz	VAOJKYQCTNILKD-HOTGVXAUSA-N	1	0	360.520	1.277	20	30		FDEDRO
CCOC(=O)c1ccc(CN2CCN(c3ccc(C#N)cn3)CC2)nc1	ZINC000450283940	829908073	/nfs/dbraw/zinc/90/80/73/829908073.db2.gz	JRJGCMOYSWTHFQ-UHFFFAOYSA-N	1	0	351.410	1.847	20	30		FDEDRO
CO[C@@H](Cc1ccccc1)C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1	ZINC000450823602	830136740	/nfs/dbraw/zinc/13/67/40/830136740.db2.gz	RKLUETXGKOSBTC-SFHVURJKSA-N	1	0	353.470	1.980	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1=O	ZINC000373959453	830334985	/nfs/dbraw/zinc/33/49/85/830334985.db2.gz	RTROJPYURBJMIQ-GOSISDBHSA-N	1	0	371.485	1.726	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NCCc1cnn(-c2ccccc2)c1	ZINC000451682060	830426341	/nfs/dbraw/zinc/42/63/41/830426341.db2.gz	NTPMYBCBHOUEOJ-MOPGFXCFSA-N	1	0	354.454	1.854	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)N(C)C)C1	ZINC000451994043	830495161	/nfs/dbraw/zinc/49/51/61/830495161.db2.gz	NOYCAVYALOXXFS-ROUUACIJSA-N	1	0	361.486	1.890	20	30		FDEDRO
COC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C[C@@H]1c1ccccc1	ZINC000452005787	830502558	/nfs/dbraw/zinc/50/25/58/830502558.db2.gz	MXYKQCSMPWDTSW-USXIJHARSA-N	1	0	355.438	1.826	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC[C@@H]2C1	ZINC000986081349	830580543	/nfs/dbraw/zinc/58/05/43/830580543.db2.gz	DHWPLMPPAIXMII-SVFBPWRDSA-N	1	0	369.509	1.581	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1	ZINC000986082728	830584646	/nfs/dbraw/zinc/58/46/46/830584646.db2.gz	HUVUCPDVCHFZRR-CEXWTWQISA-N	1	0	357.498	1.580	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]2C1	ZINC000986101274	830758655	/nfs/dbraw/zinc/75/86/55/830758655.db2.gz	PFBYPOKJNCQJIP-QYZOEREBSA-N	1	0	357.498	1.580	20	30		FDEDRO
C=CCn1c(-c2nnn(C)c2C)nnc1N1CC[N@@H+](CCOCC)[C@@H](C)C1	ZINC000453435040	830928210	/nfs/dbraw/zinc/92/82/10/830928210.db2.gz	XSINMZMQDZTYBQ-AWEZNQCLSA-N	1	0	374.493	1.115	20	30		FDEDRO
C=CCn1c(CCCC)nnc1N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1	ZINC000453424113	830933507	/nfs/dbraw/zinc/93/35/07/830933507.db2.gz	HJLXGDPNFCLWHH-INIZCTEOSA-N	1	0	360.506	1.597	20	30		FDEDRO
C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc(CC#N)c1	ZINC000453606594	830965525	/nfs/dbraw/zinc/96/55/25/830965525.db2.gz	FGWOKUWDWSFBMK-IBGZPJMESA-N	1	0	364.449	1.980	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1	ZINC000986128789	830981665	/nfs/dbraw/zinc/98/16/65/830981665.db2.gz	ZPYPYYWAVSAEKG-SQNIBIBYSA-N	1	0	370.497	1.546	20	30		FDEDRO
CC(C)(C)Oc1ccc(NC(=O)C(=O)NCC[NH+]2CCCC2)cc1C#N	ZINC000453646195	830982244	/nfs/dbraw/zinc/98/22/44/830982244.db2.gz	PPLUNCCYWDXVCA-UHFFFAOYSA-N	1	0	358.442	1.886	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)Nc2cc(C)cc(C#N)c2)CC1	ZINC000453626869	830984945	/nfs/dbraw/zinc/98/49/45/830984945.db2.gz	UJEBRHPMSLFGJE-INIZCTEOSA-N	1	0	371.485	1.195	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)ccc1C#N	ZINC000453628849	830986257	/nfs/dbraw/zinc/98/62/57/830986257.db2.gz	XDKBRVJGWHRHST-CYBMUJFWSA-N	1	0	357.458	1.827	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CC[C@H](Oc3ccncc3)C2)c1	ZINC000453658180	830989976	/nfs/dbraw/zinc/98/99/76/830989976.db2.gz	CDAXSNJKTNNFOY-KRWDZBQOSA-N	1	0	350.378	1.766	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)ccc1C#N	ZINC000453705398	831029458	/nfs/dbraw/zinc/02/94/58/831029458.db2.gz	XWJYWPMCEHROMX-CQSZACIVSA-N	1	0	365.437	1.837	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)ccc1C#N	ZINC000453763990	831058318	/nfs/dbraw/zinc/05/83/18/831058318.db2.gz	OQWDPYDRMINMDX-HEHGZKQESA-N	1	0	355.442	1.389	20	30		FDEDRO
O=C(c1cnc[nH]c1=O)N1CC[C@H]2CN(CC#Cc3ccc(F)cc3)C[C@H]21	ZINC001075926632	837508874	/nfs/dbraw/zinc/50/88/74/837508874.db2.gz	WXXIIXSHVWBOGL-MAUKXSAKSA-N	1	0	366.396	1.519	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)c4cc[nH]c4)CC[C@@H]3C2)CC1	ZINC000986245756	831356280	/nfs/dbraw/zinc/35/62/80/831356280.db2.gz	LNUYZQUDELJSPK-MOPGFXCFSA-N	1	0	368.481	1.280	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]2C1	ZINC000986370355	831566921	/nfs/dbraw/zinc/56/69/21/831566921.db2.gz	LCUJTVFRTXSCLN-AABGKKOBSA-N	1	0	371.525	1.827	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@H]3C2)nc1	ZINC000986456792	831699463	/nfs/dbraw/zinc/69/94/63/831699463.db2.gz	HKDHHFJZAKRPKN-AOIWGVFYSA-N	1	0	366.465	1.078	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](CCNC(=O)CCC[NH+](C)C)C1	ZINC001059725528	831846659	/nfs/dbraw/zinc/84/66/59/831846659.db2.gz	SBXMDDRQTJRBKG-AOIWGVFYSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)C[NH+](CC)CC)C1	ZINC001059729653	831960732	/nfs/dbraw/zinc/96/07/32/831960732.db2.gz	YXNFOTPMCAHXSE-KSZLIROESA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCCOCC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001059734106	832111056	/nfs/dbraw/zinc/11/10/56/832111056.db2.gz	QXOJWSDUWNRPSM-FGTMMUONSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H]3CN(C(=O)C[N@H+]4CC[C@H](C)C4)CC[C@@H]3C2)C1	ZINC000986633355	832122508	/nfs/dbraw/zinc/12/25/08/832122508.db2.gz	KRSUBBJPKPUJIP-JQHSSLGASA-N	1	0	359.514	1.991	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2CCCCCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000986995745	832397534	/nfs/dbraw/zinc/39/75/34/832397534.db2.gz	DFLFSDTWMMRBOS-DJIMGWMZSA-N	1	0	371.485	1.728	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1CC(=O)N1CCCCCCC1	ZINC001088529812	832461115	/nfs/dbraw/zinc/46/11/15/832461115.db2.gz	OTNDWZXTNLSBNC-WBVHZDCISA-N	1	0	371.485	1.872	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1Cc1cc(CO)ccc1F	ZINC001088529863	832461375	/nfs/dbraw/zinc/46/13/75/832461375.db2.gz	RRLNJZMDOQRHLD-PXAZEXFGSA-N	1	0	356.401	1.911	20	30		FDEDRO
[NH2+]=C(NCc1nc2ncccn2n1)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000263124026	832511468	/nfs/dbraw/zinc/51/14/68/832511468.db2.gz	MINJBCFPQCNSTK-UHFFFAOYSA-N	1	0	370.848	1.415	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3coc(C)c3)[C@H]2C)CC1	ZINC000987709995	833556853	/nfs/dbraw/zinc/55/68/53/833556853.db2.gz	QNWJSWHLBPQCBP-QAPCUYQASA-N	1	0	357.454	1.652	20	30		FDEDRO
C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1C)[NH+]1CCCCCC1	ZINC000987952511	833837989	/nfs/dbraw/zinc/83/79/89/833837989.db2.gz	OBZBYYXJOPLKCV-VYDXJSESSA-N	1	0	371.485	1.870	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1C	ZINC000987964448	833874455	/nfs/dbraw/zinc/87/44/55/833874455.db2.gz	UMMQRHDWSPTKCT-UWWQBHOKSA-N	1	0	371.485	1.868	20	30		FDEDRO
C=CCOCCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000666521490	833877144	/nfs/dbraw/zinc/87/71/44/833877144.db2.gz	GXWMKZWCXAFYBW-RTBURBONSA-N	1	0	361.486	1.761	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C)cc1	ZINC000988061917	834005248	/nfs/dbraw/zinc/00/52/48/834005248.db2.gz	IAJCWUKHSMLDIA-AYOQOUSVSA-N	1	0	371.481	1.758	20	30		FDEDRO
CCC[NH+]1CCC(CNC(=O)C(=O)Nc2cc(C)nn2CCC#N)CC1	ZINC000532608134	834734490	/nfs/dbraw/zinc/73/44/90/834734490.db2.gz	SNBVWBFJGXYXHR-UHFFFAOYSA-N	1	0	360.462	1.282	20	30		FDEDRO
CCOCCCC(=O)N[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H]1OC	ZINC001211921123	834905303	/nfs/dbraw/zinc/90/53/03/834905303.db2.gz	WPOBARBNZZOETN-QZTJIDSGSA-N	1	0	363.433	1.829	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCN2CCCC2=O)[C@@H]1C	ZINC001088576274	835138873	/nfs/dbraw/zinc/13/88/73/835138873.db2.gz	GFYSGQBABDPKGL-BDXSIMOUSA-N	1	0	363.502	1.559	20	30		FDEDRO
COC(=O)[C@@H](NCCCNS(=O)(=O)c1ccc(C#N)cc1F)C(C)C	ZINC001211971410	835286554	/nfs/dbraw/zinc/28/65/54/835286554.db2.gz	ZKVBVFGQZRVNBB-HNNXBMFYSA-N	1	0	371.434	1.153	20	30		FDEDRO
N#Cc1ccc(CNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1F	ZINC000454516758	835541402	/nfs/dbraw/zinc/54/14/02/835541402.db2.gz	IJNCUMDBXFNGTM-OAHLLOKOSA-N	1	0	360.433	1.997	20	30		FDEDRO
N#CCCn1ccc(NC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)n1	ZINC000245987964	835775718	/nfs/dbraw/zinc/77/57/18/835775718.db2.gz	WLTHZOQTRWFEBE-IRXDYDNUSA-N	1	0	368.441	1.554	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@@H]1C	ZINC000988540358	835853934	/nfs/dbraw/zinc/85/39/34/835853934.db2.gz	MPQVTQMNVBHRRJ-OLMNPRSZSA-N	1	0	371.485	1.868	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCCCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105668830	844097828	/nfs/dbraw/zinc/09/78/28/844097828.db2.gz	ZYKUADQWVFIXAA-HNBVOPMISA-N	1	0	366.502	1.029	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@@H](NC(=O)COC(C)C)[C@H](OC)C1	ZINC001211991091	835956197	/nfs/dbraw/zinc/95/61/97/835956197.db2.gz	VZZRTJIAKCCYHX-GVDBMIGSSA-N	1	0	369.506	1.040	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cccc(OC)c2)C[C@H]1OC	ZINC001211992507	835973886	/nfs/dbraw/zinc/97/38/86/835973886.db2.gz	QBUZDQJDICSCKB-KFKAGJAMSA-N	1	0	362.470	1.992	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)CCN1Cc1ccc(C#N)cc1F	ZINC001088603258	835978634	/nfs/dbraw/zinc/97/86/34/835978634.db2.gz	FYDWDPHRWCXQJV-VMGRFDJRSA-N	1	0	358.417	1.255	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1OC	ZINC001211994644	836022049	/nfs/dbraw/zinc/02/20/49/836022049.db2.gz	GTYBRTTZXGYITH-BHIYHBOVSA-N	1	0	368.518	1.990	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@H]1OC	ZINC001212029988	836339917	/nfs/dbraw/zinc/33/99/17/836339917.db2.gz	OWHPAHGNXSLJRG-QZTJIDSGSA-N	1	0	362.857	1.710	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CC2(Cl)Cl)C[C@H]1OC	ZINC001212031988	836345747	/nfs/dbraw/zinc/34/57/47/836345747.db2.gz	DRXLAEMHFUPBOV-YNEHKIRRSA-N	1	0	351.274	1.588	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cncn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105669218	844158883	/nfs/dbraw/zinc/15/88/83/844158883.db2.gz	PYJMMVSMXBEILQ-RWQQGDIJSA-N	1	0	361.490	1.210	20	30		FDEDRO
Cc1c(CC(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)cnn1C	ZINC001088613679	836724130	/nfs/dbraw/zinc/72/41/30/836724130.db2.gz	UQNMTAKOYDPPHN-BEFAXECRSA-N	1	0	351.454	1.922	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@H](C)C3CCC3)[C@H]2C)CC1	ZINC000988708189	836746690	/nfs/dbraw/zinc/74/66/90/836746690.db2.gz	CCTVCZWGKOQRDD-MDZRGWNJSA-N	1	0	359.514	1.873	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](OCC)C2CC2)C[C@H]1OC	ZINC001212092704	837106787	/nfs/dbraw/zinc/10/67/87/837106787.db2.gz	NJIUZKCDYCNYJF-KZNAEPCWSA-N	1	0	354.491	1.600	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CCNC[C@H]2c2nccn2C)cc1OC	ZINC000261675197	837221266	/nfs/dbraw/zinc/22/12/66/837221266.db2.gz	GXGFSEKCXSJVLF-HNNXBMFYSA-N	1	0	356.426	1.780	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H](O)C1	ZINC001083462621	838302004	/nfs/dbraw/zinc/30/20/04/838302004.db2.gz	RGSGSFHMGNVYST-UAGQMJEPSA-N	1	0	355.910	1.555	20	30		FDEDRO
Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000508689551	838348269	/nfs/dbraw/zinc/34/82/69/838348269.db2.gz	RUPBLGFPSJNJRV-KRWDZBQOSA-N	1	0	366.469	1.902	20	30		FDEDRO
C#CCC[NH+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1	ZINC000272013660	838428593	/nfs/dbraw/zinc/42/85/93/838428593.db2.gz	KWSPJSKQZHOXSU-UHFFFAOYSA-N	1	0	360.414	1.573	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2C(=O)OCC)CC1	ZINC000272851852	838450430	/nfs/dbraw/zinc/45/04/30/838450430.db2.gz	JQQZCQVCADVXFT-UHFFFAOYSA-N	1	0	359.426	1.568	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C)nc1	ZINC000989164612	838536928	/nfs/dbraw/zinc/53/69/28/838536928.db2.gz	FZQIBLZCQXIQLT-OIISXLGYSA-N	1	0	354.454	1.124	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H]1C	ZINC000989190159	838641914	/nfs/dbraw/zinc/64/19/14/838641914.db2.gz	DEIZFSXKBCHCCL-SMOSDQRPSA-N	1	0	367.493	1.656	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)[C@@H]1C	ZINC000989192212	838650205	/nfs/dbraw/zinc/65/02/05/838650205.db2.gz	ZZYCGRMFQMHNQB-HLIPFELVSA-N	1	0	367.493	1.658	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@H]2C)cn1	ZINC000989230622	838815059	/nfs/dbraw/zinc/81/50/59/838815059.db2.gz	MRJVFILUFNJWEI-QAPCUYQASA-N	1	0	368.481	1.657	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000459818726	838961200	/nfs/dbraw/zinc/96/12/00/838961200.db2.gz	DLYYIGCUOJUZNV-IRXDYDNUSA-N	1	0	365.518	1.759	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1	ZINC000459938039	839128885	/nfs/dbraw/zinc/12/88/85/839128885.db2.gz	MRUNCHNFWBGMPS-UHFFFAOYSA-N	1	0	368.481	1.851	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1	ZINC000989336620	839537144	/nfs/dbraw/zinc/53/71/44/839537144.db2.gz	XHPRWQKLPKVKCI-QAETUUGQSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1	ZINC000989342982	839546352	/nfs/dbraw/zinc/54/63/52/839546352.db2.gz	VQTSQXLIKPJQJW-TXTZMMAHSA-N	1	0	363.502	1.415	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2nc(C)n(-c3ccccc3)n2)c1C#N	ZINC000760306977	839779012	/nfs/dbraw/zinc/77/90/12/839779012.db2.gz	ODVLRGLUWGUKBW-UHFFFAOYSA-N	1	0	364.413	1.575	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)c2cc([C@@H]3CCCN3C)[nH]n2)n1	ZINC000897600624	839908079	/nfs/dbraw/zinc/90/80/79/839908079.db2.gz	NXBSVGKEQNJFRE-SFHVURJKSA-N	1	0	370.457	1.295	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000479652672	844511453	/nfs/dbraw/zinc/51/14/53/844511453.db2.gz	ZAWWEDMLGPXWCZ-SFHVURJKSA-N	1	0	359.470	1.428	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)c3[nH]c4ccccc4c3C#N)CC2)C1=O	ZINC000897756579	840319684	/nfs/dbraw/zinc/31/96/84/840319684.db2.gz	NZZUOFKVAUEDFG-KRWDZBQOSA-N	1	0	365.437	1.464	20	30		FDEDRO
Cc1c(C(=O)NCc2ccncc2OCCC[NH+](C)C)cnn1CCC#N	ZINC000897782437	840389813	/nfs/dbraw/zinc/38/98/13/840389813.db2.gz	VESSMADGBGEUOE-UHFFFAOYSA-N	1	0	370.457	1.761	20	30		FDEDRO
CN1CCC[C@H]1c1cc(C(=O)N2CCN(c3cnccc3C#N)CC2)n[nH]1	ZINC000897828194	840460788	/nfs/dbraw/zinc/46/07/88/840460788.db2.gz	QIPGHJWOQDELOV-KRWDZBQOSA-N	1	0	365.441	1.405	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105594746	840580740	/nfs/dbraw/zinc/58/07/40/840580740.db2.gz	WLBPGJUMLXJNAM-JYBIWHBTSA-N	1	0	360.502	1.815	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)noc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105594432	840592098	/nfs/dbraw/zinc/59/20/98/840592098.db2.gz	QCXPOPKOAMCRFR-CIWUYKSXSA-N	1	0	359.470	1.894	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccccc3O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105597705	840765278	/nfs/dbraw/zinc/76/52/78/840765278.db2.gz	GOYDCKSFZRAMIG-VELGLUOQSA-N	1	0	356.466	1.995	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCn3cncn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105597821	840766517	/nfs/dbraw/zinc/76/65/17/840766517.db2.gz	IGGPGGCRPYWSDJ-FPAYPSAMSA-N	1	0	361.490	1.210	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCn3cccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105598825	840781118	/nfs/dbraw/zinc/78/11/18/840781118.db2.gz	XQTUHVSBAIWCAZ-IZBJGVDFSA-N	1	0	358.486	1.263	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)N1CCC(CC)([NH+]2CCCCC2)CC1	ZINC000898141020	840820172	/nfs/dbraw/zinc/82/01/72/840820172.db2.gz	WFOATBSSVFBMCA-KRWDZBQOSA-N	1	0	363.502	1.398	20	30		FDEDRO
C=CCc1cc(C[NH2+][C@@H]2CCN(c3cc(=O)[nH]cn3)C2)cc(OC)c1O	ZINC000898155843	840835033	/nfs/dbraw/zinc/83/50/33/840835033.db2.gz	SNQSPVPWOBHQKB-OAHLLOKOSA-N	1	0	356.426	1.993	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=[NH2+])NOCc1nc(C#N)cs1	ZINC000842038929	840855165	/nfs/dbraw/zinc/85/51/65/840855165.db2.gz	QHGAYUAKAGTVBK-LLVKDONJSA-N	1	0	367.431	1.649	20	30		FDEDRO
C=CCCCCNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000898323728	840944206	/nfs/dbraw/zinc/94/42/06/840944206.db2.gz	VBVBXXSYNXWIQT-UHFFFAOYSA-N	1	0	358.486	1.527	20	30		FDEDRO
COCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CSCC#N)[C@@H]2C(C)C)C[C@H]1O	ZINC001105600134	840984460	/nfs/dbraw/zinc/98/44/60/840984460.db2.gz	BVNJVWKYCSFKKY-AHCXZYCDSA-N	1	0	369.531	1.246	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN(C)C(C)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105601362	841031099	/nfs/dbraw/zinc/03/10/99/841031099.db2.gz	XIZIHQCILXQDHC-AHCXZYCDSA-N	1	0	371.909	1.183	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CNC(=O)OC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105601256	841044923	/nfs/dbraw/zinc/04/49/23/841044923.db2.gz	VHTHVRUYHBXANA-LFEHRJTNSA-N	1	0	367.490	1.275	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105603408	841170599	/nfs/dbraw/zinc/17/05/99/841170599.db2.gz	JMTLHSVTBMVSJI-LFGUQSLTSA-N	1	0	350.503	1.793	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COC(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105607388	841225090	/nfs/dbraw/zinc/22/50/90/841225090.db2.gz	QGHGHKNJAFLYGY-IZBJGVDFSA-N	1	0	366.502	1.027	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)NC2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088691312	841309045	/nfs/dbraw/zinc/30/90/45/841309045.db2.gz	HQTCKJPCPGTXQC-HFTRVMKXSA-N	1	0	370.453	1.194	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cc[nH]n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105609769	841387615	/nfs/dbraw/zinc/38/76/15/841387615.db2.gz	AZYPZUYBUXBWDR-LFGUQSLTSA-N	1	0	360.502	1.885	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C)nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105610128	841559780	/nfs/dbraw/zinc/55/97/80/841559780.db2.gz	IEOZODUXBPDSOA-SOAMZJECSA-N	1	0	358.486	1.332	20	30		FDEDRO
C=CCOCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]C/C=C/Cl)C2)[C@H]1C(C)C	ZINC001105610409	841629626	/nfs/dbraw/zinc/62/96/26/841629626.db2.gz	KHOZUQHLNYBMIL-XHHFKIEWSA-N	1	0	356.894	1.908	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(N[C@@H]2CCc3nc(C)nn3C2)=[NH+]C)C12CCCC2	ZINC000151045681	861235982	/nfs/dbraw/zinc/23/59/82/861235982.db2.gz	YTDISRQEFKCNQD-OWCLPIDISA-N	1	0	360.506	1.804	20	30		FDEDRO
COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2cnn(C)c2C#N)cc1	ZINC000476555293	841891054	/nfs/dbraw/zinc/89/10/54/841891054.db2.gz	XGMBZNXJRUOTAF-QGZVFWFLSA-N	1	0	353.426	1.867	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(N)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105611912	841920584	/nfs/dbraw/zinc/92/05/84/841920584.db2.gz	WINPQFSAMZSORM-XNFNUYLZSA-N	1	0	365.518	1.574	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1	ZINC001060027112	842122224	/nfs/dbraw/zinc/12/22/24/842122224.db2.gz	VDCMORDIELVWLU-KURKYZTESA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3nnc[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105615224	842230736	/nfs/dbraw/zinc/23/07/36/842230736.db2.gz	QJBIFQXVIDSOOQ-VVWQDTPRSA-N	1	0	361.490	1.280	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C=C3CCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105615454	842231411	/nfs/dbraw/zinc/23/14/11/842231411.db2.gz	VQDRMEPIJBHTRL-RMVXJAJNSA-N	1	0	360.498	1.713	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cccnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619492	842237452	/nfs/dbraw/zinc/23/74/52/842237452.db2.gz	LXXNLNMQUCUSOL-VURPSTOHSA-N	1	0	355.482	1.614	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(=O)NCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105620179	842241897	/nfs/dbraw/zinc/24/18/97/842241897.db2.gz	XKQMCVSIAKPUGU-RGCFKVTRSA-N	1	0	351.491	1.055	20	30		FDEDRO
C=CCc1cc(OC)cc(C[N@H+]2CC[C@@H](n3cc(C(=O)OC)nn3)C2)c1O	ZINC000760536231	842245770	/nfs/dbraw/zinc/24/57/70/842245770.db2.gz	ZTHRHUBBJFFQAK-OAHLLOKOSA-N	1	0	372.425	1.954	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnnn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105622724	842248488	/nfs/dbraw/zinc/24/84/88/842248488.db2.gz	GHWZMJNXAGCVII-NWGLXNPWSA-N	1	0	361.490	1.361	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C)nn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105623671	842252462	/nfs/dbraw/zinc/25/24/62/842252462.db2.gz	SCLQYMOPZHJWMN-VYCZESIESA-N	1	0	361.490	1.361	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3(OC)CCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105628952	842262488	/nfs/dbraw/zinc/26/24/88/842262488.db2.gz	ZEELSCDCFZITEE-JYBIWHBTSA-N	1	0	362.514	1.935	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3n[nH]c4c3CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001105636915	842269459	/nfs/dbraw/zinc/26/94/59/842269459.db2.gz	GNFZNKROVORBIM-REHHDOPLSA-N	1	0	370.497	1.501	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CCOC)C3)[C@H]2C(C)C)CCC1	ZINC001105637336	842271200	/nfs/dbraw/zinc/27/12/00/842271200.db2.gz	NIUGBXGJKSJWBQ-NEYJZJCJSA-N	1	0	362.514	1.793	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn[nH]c(=O)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105637553	842272818	/nfs/dbraw/zinc/27/28/18/842272818.db2.gz	RWRFGMNOVXHHSW-RRIFGTCXSA-N	1	0	360.458	1.338	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CCCO)C3)[C@@H]2C(C)C)CCC1	ZINC001105637729	842273742	/nfs/dbraw/zinc/27/37/42/842273742.db2.gz	VBIXYUMXGDYYCE-WIRSXHRWSA-N	1	0	362.514	1.529	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3(COC)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105632027	842279051	/nfs/dbraw/zinc/27/90/51/842279051.db2.gz	HZLWHKIRFWSLIW-VGUOSERISA-N	1	0	362.514	1.793	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccncc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105632139	842279063	/nfs/dbraw/zinc/27/90/63/842279063.db2.gz	IJFCPWPADVGMTC-WKDRNLAYSA-N	1	0	369.509	1.922	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc4n(n3)CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001105633116	842281586	/nfs/dbraw/zinc/28/15/86/842281586.db2.gz	QTILTKJKOCLKCX-XCJLJZCSSA-N	1	0	370.497	1.432	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)N(C)C)C2)[C@H]1C(C)C	ZINC001105633065	842281738	/nfs/dbraw/zinc/28/17/38/842281738.db2.gz	PXNZXZXOSOQIET-SMOSDQRPSA-N	1	0	365.518	1.397	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc(C)n3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105651736	842444529	/nfs/dbraw/zinc/44/45/29/842444529.db2.gz	IYDLJVGHDFBHDN-PHXBYCTMSA-N	1	0	360.502	1.884	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CC#CC)C3)[C@@H]2C(C)C)c1	ZINC001105657153	842491076	/nfs/dbraw/zinc/49/10/76/842491076.db2.gz	XGIFGYKDDWJHLY-JBPLPALLSA-N	1	0	365.477	1.666	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105659131	842501616	/nfs/dbraw/zinc/50/16/16/842501616.db2.gz	MTZGCMUQKGDGAV-BNDYYXHWSA-N	1	0	355.482	1.993	20	30		FDEDRO
COc1nccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)n1	ZINC001088736850	842677297	/nfs/dbraw/zinc/67/72/97/842677297.db2.gz	ZPVJWYPWKPJNKB-CJNGLKHVSA-N	1	0	351.410	1.750	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)NC(C)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105661431	842701781	/nfs/dbraw/zinc/70/17/81/842701781.db2.gz	IPUPNKLJVAATHB-WOCWXWTJSA-N	1	0	365.518	1.443	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCn3cccc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105661919	842746526	/nfs/dbraw/zinc/74/65/26/842746526.db2.gz	LQNYOWIMEJBBKM-UKAVVXHISA-N	1	0	357.498	1.868	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC[C@H]3C[N@H+](CCn4cncn4)C[C@H]32)cc1	ZINC001075958765	842803559	/nfs/dbraw/zinc/80/35/59/842803559.db2.gz	ZEWOFXUBNALECF-PKOBYXMFSA-N	1	0	367.453	1.689	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc(C)nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105664447	842904893	/nfs/dbraw/zinc/90/48/93/842904893.db2.gz	YIYOZNDDVYZULC-BNDYYXHWSA-N	1	0	370.497	1.696	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCCCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105665737	843016390	/nfs/dbraw/zinc/01/63/90/843016390.db2.gz	BURDDBHWSWZKHL-HNBVOPMISA-N	1	0	366.502	1.029	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C)cc(C)n4)[C@@H]3C2)C1=O	ZINC001075975031	843109393	/nfs/dbraw/zinc/10/93/93/843109393.db2.gz	JZLAEFWNCFYOIH-QXAKKESOSA-N	1	0	368.481	1.632	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C)cc(C)n4)[C@@H]3C2)C1=O	ZINC001075975032	843109672	/nfs/dbraw/zinc/10/96/72/843109672.db2.gz	JZLAEFWNCFYOIH-YTQUADARSA-N	1	0	368.481	1.632	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1	ZINC000462016307	843284458	/nfs/dbraw/zinc/28/44/58/843284458.db2.gz	NBZSCJTXPISQIN-DOMZBBRYSA-N	1	0	353.430	1.861	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC000462103489	843314207	/nfs/dbraw/zinc/31/42/07/843314207.db2.gz	GEHLIYIOCBCMCX-HZPDHXFCSA-N	1	0	365.441	2.196	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)CCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105667096	843490166	/nfs/dbraw/zinc/49/01/66/843490166.db2.gz	OAKKNXAJCIHCTO-PDOICOKGSA-N	1	0	350.503	1.648	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3[nH]cnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667684	843682300	/nfs/dbraw/zinc/68/23/00/843682300.db2.gz	DBWGVBKAJZOPBI-HNBVOPMISA-N	1	0	360.502	1.803	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CCOC)C3)[C@H]2C(C)C)cn1	ZINC001105668852	843839050	/nfs/dbraw/zinc/83/90/50/843839050.db2.gz	NHGPHEFRCSVPKT-ANTGDGSKSA-N	1	0	371.481	1.289	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000667641810	844933312	/nfs/dbraw/zinc/93/33/12/844933312.db2.gz	DULZXHGCVKIVDF-GOSISDBHSA-N	1	0	350.507	1.132	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H]2COc2cccnc2C)CC1	ZINC000842172833	845270486	/nfs/dbraw/zinc/27/04/86/845270486.db2.gz	YWMRLLYUYSPTEN-SFHVURJKSA-N	1	0	356.470	1.011	20	30		FDEDRO
O=C(N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O)[C@@H](C1CC1)[NH+]1CCCC1	ZINC001077443960	861562087	/nfs/dbraw/zinc/56/20/87/861562087.db2.gz	DOKVGJLYLKVZKW-NJDAHSKKSA-N	1	0	367.493	1.074	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCOCCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105674522	845480460	/nfs/dbraw/zinc/48/04/60/845480460.db2.gz	YJMUHNSTVAKLSE-JYBIWHBTSA-N	1	0	366.502	1.029	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCOCCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105674520	845480479	/nfs/dbraw/zinc/48/04/79/845480479.db2.gz	YJMUHNSTVAKLSE-IZBJGVDFSA-N	1	0	366.502	1.029	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@H+](CCn1cncn1)CC2	ZINC000990743983	845506391	/nfs/dbraw/zinc/50/63/91/845506391.db2.gz	SMMUXJZQGIUUOA-DFEOGRTESA-N	1	0	359.474	1.373	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncnc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105675207	845658034	/nfs/dbraw/zinc/65/80/34/845658034.db2.gz	MZFYKWGUKHDMTH-ANTGDGSKSA-N	1	0	370.497	1.642	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncnc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105675208	845659151	/nfs/dbraw/zinc/65/91/51/845659151.db2.gz	MZFYKWGUKHDMTH-BNDYYXHWSA-N	1	0	370.497	1.642	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCCOCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105675428	845731065	/nfs/dbraw/zinc/73/10/65/845731065.db2.gz	OKQNKOMZIAWHCV-FPAYPSAMSA-N	1	0	354.491	1.192	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4[C@@H]5COC[C@@H]54)[C@@H]3C2)cc1	ZINC001076139547	847393601	/nfs/dbraw/zinc/39/36/01/847393601.db2.gz	IXWWUIGGYBIAEC-LFAQGZIKSA-N	1	0	367.449	1.514	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4cccnc4C)[C@@H]3C2)C1=O	ZINC001076236115	847641372	/nfs/dbraw/zinc/64/13/72/847641372.db2.gz	WCTFLNBIEWUNBC-IPMKNSEASA-N	1	0	368.481	1.252	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCCC4)O3)[C@@H]2C1	ZINC001076236792	847642472	/nfs/dbraw/zinc/64/24/72/847642472.db2.gz	BHWYXQUNDWGAJH-MLHJIOFPSA-N	1	0	361.486	1.265	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](CC4CC(F)(F)C4)C[C@H]32)nn1	ZINC001076336424	847882937	/nfs/dbraw/zinc/88/29/37/847882937.db2.gz	XDGZEWMTQQMWLF-DZGCQCFKSA-N	1	0	351.401	1.656	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cnc(C)nc4C)[C@@H]3C2)C1=O	ZINC001076372198	847987091	/nfs/dbraw/zinc/98/70/91/847987091.db2.gz	OWFAPHOCFADKDJ-RYQLBKOJSA-N	1	0	369.469	1.027	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C#N)C2CCCCC2)CC1=O	ZINC000482477984	848062563	/nfs/dbraw/zinc/06/25/63/848062563.db2.gz	MRDGJRGAGWWECZ-KZNAEPCWSA-N	1	0	360.502	1.908	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCN(C(C)C)C4=O)C[C@H]32)cn1	ZINC001076477108	848242541	/nfs/dbraw/zinc/24/25/41/848242541.db2.gz	QAJSIQOFFLZIAD-YTQUADARSA-N	1	0	366.465	1.219	20	30		FDEDRO
Cc1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)[nH]c(=O)n1	ZINC000482553572	848262832	/nfs/dbraw/zinc/26/28/32/848262832.db2.gz	NCGLBAPODULFBT-UHFFFAOYSA-N	1	0	351.410	1.779	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccccc4OC)[C@@H]3C2)C1=O	ZINC001076489044	848266208	/nfs/dbraw/zinc/26/62/08/848266208.db2.gz	ZAVYFZMTPOWRFF-CGTJXYLNSA-N	1	0	369.465	1.628	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@@H+](CCc3cnn(C)c3)C[C@H]21	ZINC001076500736	848293734	/nfs/dbraw/zinc/29/37/34/848293734.db2.gz	NIUHNGKGDMIDBS-LEWJYISDSA-N	1	0	362.477	1.719	20	30		FDEDRO
CCN1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1	ZINC001076594808	848520107	/nfs/dbraw/zinc/52/01/07/848520107.db2.gz	SPSVUMDJBVIEAP-XUVXKRRUSA-N	1	0	368.481	1.312	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN([C@@H](C)c4nnc(C)o4)C[C@H]32)CC1	ZINC001076605894	848557248	/nfs/dbraw/zinc/55/72/48/848557248.db2.gz	YKUZSLCCIOUUSX-JCGIZDLHSA-N	1	0	371.485	1.317	20	30		FDEDRO
CCCn1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC#CCOC)C2)cn1	ZINC001112537536	848599411	/nfs/dbraw/zinc/59/94/11/848599411.db2.gz	LHDJDHDVECENIV-ICSRJNTNSA-N	1	0	358.486	1.775	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCc4ccccc43)C[C@H]2O)c[nH]1	ZINC001076906163	849300181	/nfs/dbraw/zinc/30/01/81/849300181.db2.gz	PGLKBEYEWMEZIL-CDHQVMDDSA-N	1	0	364.449	1.781	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCC(F)(F)C3)C[C@H]2O)c[nH]1	ZINC001076907431	849302211	/nfs/dbraw/zinc/30/22/11/849302211.db2.gz	OTLGIGVHHQMCDZ-NILFDRSVSA-N	1	0	352.385	1.487	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)C1([NH+](C)C)CCC1	ZINC001076951882	849401048	/nfs/dbraw/zinc/40/10/48/849401048.db2.gz	GUBBCXGWOPXXQK-ULQDDVLXSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CCOc2ccccc2C)C[C@H]1O	ZINC001077016584	849547917	/nfs/dbraw/zinc/54/79/17/849547917.db2.gz	UCTDEWZINKUTSX-MKXGPGLRSA-N	1	0	374.481	1.516	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1O	ZINC001077092045	849729693	/nfs/dbraw/zinc/72/96/93/849729693.db2.gz	AUGDEDAKSHIQOV-GUDVDZBRSA-N	1	0	356.470	1.094	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@@H]2O)cc1	ZINC001083577630	850913272	/nfs/dbraw/zinc/91/32/72/850913272.db2.gz	BZSOIBQZGHBBAS-OTWHNJEPSA-N	1	0	360.454	1.595	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+]C[C@H](O)CC3(O)CCCCC3)CC2)nc1	ZINC000905089808	851639179	/nfs/dbraw/zinc/63/91/79/851639179.db2.gz	RHLOJVFOKVCHPA-GOSISDBHSA-N	1	0	358.486	1.958	20	30		FDEDRO
C[C@@H]1CN(Cc2csc(NC(=O)NCC#CC[NH+](C)C)n2)C[C@@H](C)O1	ZINC000905150954	851707134	/nfs/dbraw/zinc/70/71/34/851707134.db2.gz	DMKOASXHYPTHJH-ZIAGYGMSSA-N	1	0	365.503	1.439	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H]([NH2+]C[C@H](O)CC3(CO)CCCC3)C2=O)cc1	ZINC000905229254	851738204	/nfs/dbraw/zinc/73/82/04/851738204.db2.gz	ITSZHBYCECSJOD-MOPGFXCFSA-N	1	0	371.481	1.552	20	30		FDEDRO
C#C[C@H]([NH2+]C[C@@H](O)COc1cn(-c2ccccc2)nc1C(=O)OC)C(C)C	ZINC000905245887	851770142	/nfs/dbraw/zinc/77/01/42/851770142.db2.gz	YCEHKHATDFLVJQ-SJORKVTESA-N	1	0	371.437	1.646	20	30		FDEDRO
CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NCC#CC[NH+](C)C)cc1	ZINC000913515036	862295223	/nfs/dbraw/zinc/29/52/23/862295223.db2.gz	GGWRGPSJGHGEIF-AWEZNQCLSA-N	1	0	351.472	1.058	20	30		FDEDRO
COc1ccc2c(C)c(CCC(=O)NCC#CC[NH+](C)C)c(=O)oc2c1	ZINC000913515702	862297006	/nfs/dbraw/zinc/29/70/06/862297006.db2.gz	JPXCBVJSIYVLDL-UHFFFAOYSA-N	1	0	356.422	1.724	20	30		FDEDRO
CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NCC#CC[NH+](C)C	ZINC000913516277	862299549	/nfs/dbraw/zinc/29/95/49/862299549.db2.gz	JHXVXOCMWUFAPG-KRWDZBQOSA-N	1	0	362.449	1.331	20	30		FDEDRO
Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)NCC#CC[NH+](C)C	ZINC000913517451	862299986	/nfs/dbraw/zinc/29/99/86/862299986.db2.gz	BDKRFCQFHGJVFJ-UHFFFAOYSA-N	1	0	353.426	1.166	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC3(CCOCC3)CO2)cc1	ZINC000905426830	851932795	/nfs/dbraw/zinc/93/27/95/851932795.db2.gz	VAXZXAMVSLFNLH-MJGOQNOKSA-N	1	0	360.454	1.863	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1cccc(CS(=O)(=O)NC(C)(C)C)c1	ZINC000913517669	862300642	/nfs/dbraw/zinc/30/06/42/862300642.db2.gz	LACUOTPLVSNTCT-UHFFFAOYSA-N	1	0	365.499	1.199	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1cc(F)ccc1I	ZINC000913517951	862301154	/nfs/dbraw/zinc/30/11/54/862301154.db2.gz	XFVGIDSWAOFHDM-UHFFFAOYSA-N	1	0	360.170	1.725	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Cc1cccc(I)c1	ZINC000913519953	862304611	/nfs/dbraw/zinc/30/46/11/862304611.db2.gz	WMDWIXCQIKBGPG-UHFFFAOYSA-N	1	0	356.207	1.515	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)COc1cccc(I)c1	ZINC000913521772	862307311	/nfs/dbraw/zinc/30/73/11/862307311.db2.gz	MRKPFUSTVVAMQX-UHFFFAOYSA-N	1	0	372.206	1.351	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F	ZINC000913522707	862308237	/nfs/dbraw/zinc/30/82/37/862308237.db2.gz	VXDIVGLSRMVCSN-ZDUSSCGKSA-N	1	0	359.417	1.560	20	30		FDEDRO
CN(C)[C@H](CC[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C(F)(F)F	ZINC000905576150	852049335	/nfs/dbraw/zinc/04/93/35/852049335.db2.gz	KWNXILGRZOPRDD-CQSZACIVSA-N	1	0	363.405	1.804	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CC2(C3(O)CCOCC3)CC2)cc1	ZINC000905550067	852052108	/nfs/dbraw/zinc/05/21/08/852052108.db2.gz	CYABJXOAGIPMSM-UHFFFAOYSA-N	1	0	364.467	1.243	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1C#N	ZINC000905589743	852079934	/nfs/dbraw/zinc/07/99/34/852079934.db2.gz	ARRZVHZTHCSYPV-HZPDHXFCSA-N	1	0	361.442	1.897	20	30		FDEDRO
Cn1cc([C@@]2(C[NH2+]C[C@H](O)COc3ccc(CC#N)cc3)CCCO2)cn1	ZINC000905688523	852146442	/nfs/dbraw/zinc/14/64/42/852146442.db2.gz	XLDRHIGDWCINKY-ICSRJNTNSA-N	1	0	370.453	1.521	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1	ZINC000485413953	852147867	/nfs/dbraw/zinc/14/78/67/852147867.db2.gz	VUTWJZSOMQLFNM-QXAKKESOSA-N	1	0	356.470	1.948	20	30		FDEDRO
C[C@]1([C@H]2CCCN(Cn3cc4c(c(C#N)c3=O)CCC4)C2)COC(=O)N1	ZINC000905699861	852179459	/nfs/dbraw/zinc/17/94/59/852179459.db2.gz	CGSZINYYSUHBRK-IFXJQAMLSA-N	1	0	356.426	1.377	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H]([NH2+][C@H]2CCCN3CCSC[C@@H]23)C1=O	ZINC000905855446	852356908	/nfs/dbraw/zinc/35/69/08/852356908.db2.gz	RJNXITUIBCGNTG-KKUMJFAQSA-N	1	0	362.524	1.894	20	30		FDEDRO
CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000906702254	853182378	/nfs/dbraw/zinc/18/23/78/853182378.db2.gz	WOAYLHGASATFAG-GFCCVEGCSA-N	1	0	365.231	1.373	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1Br	ZINC000906726993	853270136	/nfs/dbraw/zinc/27/01/36/853270136.db2.gz	HUXUDNJJEKITAH-KGYLQXTDSA-N	1	0	363.215	1.268	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)CCC[NH+](C)C)C1	ZINC001060256249	862463987	/nfs/dbraw/zinc/46/39/87/862463987.db2.gz	AAKJFRXLHNRALB-KSZLIROESA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)C1	ZINC000668584597	853646791	/nfs/dbraw/zinc/64/67/91/853646791.db2.gz	ZJHREZBQDVAYFW-ZWKOTPCHSA-N	1	0	364.534	1.191	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3ccc(Br)c(C#N)c3)[C@@H]2C1	ZINC000907199373	853908152	/nfs/dbraw/zinc/90/81/52/853908152.db2.gz	WUUICYIVTSVULQ-QMTHXVAHSA-N	1	0	370.272	1.645	20	30		FDEDRO
N#Cc1ccc([C@H]2CN(S(=O)(=O)CCC[NH+]3CCCC3)CCO2)cc1	ZINC000907510583	854282618	/nfs/dbraw/zinc/28/26/18/854282618.db2.gz	ZCFGCDICRQIFFN-GOSISDBHSA-N	1	0	363.483	1.747	20	30		FDEDRO
N#Cc1ccc(F)c(CS(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c1	ZINC000908005450	854891657	/nfs/dbraw/zinc/89/16/57/854891657.db2.gz	AHWBYJOYBLPXJC-SJORKVTESA-N	1	0	367.446	1.058	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1	ZINC000668654268	855076650	/nfs/dbraw/zinc/07/66/50/855076650.db2.gz	KJFFGEDJIXVZSZ-IYBDPMFKSA-N	1	0	353.507	1.568	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N[C@@H](C)[C@H](C)C(=O)Nc1nnc(CC)s1	ZINC000908180479	855129870	/nfs/dbraw/zinc/12/98/70/855129870.db2.gz	JJLJZZKJWXHIGH-RYUDHWBXSA-N	1	0	353.492	1.688	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1ccc(C#N)cc1)CC2	ZINC000991120531	855142141	/nfs/dbraw/zinc/14/21/41/855142141.db2.gz	RAEUDGGKMNARGY-QTWZMDIBSA-N	1	0	369.465	1.975	20	30		FDEDRO
Cc1cc(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)cc(C)c1C#N	ZINC000908186663	855155357	/nfs/dbraw/zinc/15/53/57/855155357.db2.gz	XVHOLWUNKISABO-GOSISDBHSA-N	1	0	354.454	1.600	20	30		FDEDRO
C=CCCCC(=O)N1CC[C@H](CCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1	ZINC001060265464	862654516	/nfs/dbraw/zinc/65/45/16/862654516.db2.gz	OSNSSGPBJFUMAW-IXDOHACOSA-N	1	0	351.491	1.417	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C2CC2)C[C@H]1OC	ZINC001212150402	862673870	/nfs/dbraw/zinc/67/38/70/862673870.db2.gz	WYPHMIJQUXIIBN-RTBURBONSA-N	1	0	369.465	1.019	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1	ZINC000908605481	855608236	/nfs/dbraw/zinc/60/82/36/855608236.db2.gz	RCHCDZGPCYYROG-UHFFFAOYSA-N	1	0	367.453	1.709	20	30		FDEDRO
C=CCn1c([C@H]2COCCO2)nnc1N1CCN(c2cc[nH+]cc2)[C@@H](C)C1	ZINC000908655901	855661128	/nfs/dbraw/zinc/66/11/28/855661128.db2.gz	XRYROALQVMDDGP-DOTOQJQBSA-N	1	0	370.457	1.662	20	30		FDEDRO
C=CCn1c(-c2cnsn2)nnc1N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000908721276	855701185	/nfs/dbraw/zinc/70/11/85/855701185.db2.gz	KHBUHXQOGFSJJN-UHFFFAOYSA-N	1	0	374.518	1.199	20	30		FDEDRO
C=CCn1c(-c2cccnn2)nnc1N1CC[N@H+](CCOC)[C@H](CCC)C1	ZINC000908705864	855707332	/nfs/dbraw/zinc/70/73/32/855707332.db2.gz	GRELBSADUTVJPS-MRXNPFEDSA-N	1	0	371.489	1.858	20	30		FDEDRO
C=CCn1c(-c2cccnn2)nnc1N(CCOC)CC1CC[NH+](C)CC1	ZINC000908710681	855713185	/nfs/dbraw/zinc/71/31/85/855713185.db2.gz	RDXCCBPLGAJSQV-UHFFFAOYSA-N	1	0	371.489	1.716	20	30		FDEDRO
C=CCn1c(-c2ncnc3[nH]cnc32)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C	ZINC000908711552	855714107	/nfs/dbraw/zinc/71/41/07/855714107.db2.gz	DWPVVBCCJXMNFZ-CHWSQXEVSA-N	1	0	367.461	1.668	20	30		FDEDRO
C=CCC1(O)CCN(c2nnc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2CC)CC1	ZINC000908829891	855887142	/nfs/dbraw/zinc/88/71/42/855887142.db2.gz	PEPFFLAHHBECAG-CVEARBPZSA-N	1	0	361.490	1.741	20	30		FDEDRO
N#Cc1ccc(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)s1	ZINC000487276821	856312062	/nfs/dbraw/zinc/31/20/62/856312062.db2.gz	JVAZBRRIEURTKG-UHFFFAOYSA-N	1	0	370.482	1.742	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1CCOC	ZINC000668788400	856573755	/nfs/dbraw/zinc/57/37/55/856573755.db2.gz	ZHJUKGRECXMXAX-IKGGRYGDSA-N	1	0	351.491	1.465	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)c1ccc2occc2c1	ZINC001103011675	856619219	/nfs/dbraw/zinc/61/92/19/856619219.db2.gz	MPWKNYSOTJEQCG-RHSMWYFYSA-N	1	0	368.437	1.760	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000487806320	856745339	/nfs/dbraw/zinc/74/53/39/856745339.db2.gz	XMJORFXNCWZMKK-FGTMMUONSA-N	1	0	364.534	1.332	20	30		FDEDRO
C#CCCCc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CC1CC1	ZINC000910428264	857193479	/nfs/dbraw/zinc/19/34/79/857193479.db2.gz	ROQUNIAFCYADNK-GOSISDBHSA-N	1	0	357.502	1.803	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCc3cc(OC)ccc3C2)CC1	ZINC000668835668	857451611	/nfs/dbraw/zinc/45/16/11/857451611.db2.gz	GUCCUKPLGZHHBM-UHFFFAOYSA-N	1	0	371.481	1.737	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)CC1	ZINC000668835524	857453279	/nfs/dbraw/zinc/45/32/79/857453279.db2.gz	BWSPIRZEMMIMDQ-HKUYNNGSSA-N	1	0	371.481	1.442	20	30		FDEDRO
C#CC[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C1	ZINC000910725702	857559251	/nfs/dbraw/zinc/55/92/51/857559251.db2.gz	URVAKXSAJQPPCI-IRXDYDNUSA-N	1	0	354.454	1.381	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)C1	ZINC000910837608	857741425	/nfs/dbraw/zinc/74/14/25/857741425.db2.gz	OADINHIBJUNQSP-MRXNPFEDSA-N	1	0	356.470	1.981	20	30		FDEDRO
C#CC[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)C1	ZINC000910831204	857774125	/nfs/dbraw/zinc/77/41/25/857774125.db2.gz	WHOHXOAWYMFGSC-SJORKVTESA-N	1	0	354.454	1.381	20	30		FDEDRO
N#Cc1ccc(N(C(=O)C(=O)NCC2CC=CC2)[C@H]2CCC[NH2+]C2)nc1	ZINC000910859349	857790208	/nfs/dbraw/zinc/79/02/08/857790208.db2.gz	ZKTTZHMOQIQZIW-INIZCTEOSA-N	1	0	353.426	1.121	20	30		FDEDRO
C#CCN(C(=O)C(=O)N(C)Cc1c(C)nn(CC)c1C)C1CC[NH+](C)CC1	ZINC000910882876	857832124	/nfs/dbraw/zinc/83/21/24/857832124.db2.gz	IZBFEQAHRCJWBB-UHFFFAOYSA-N	1	0	373.501	1.034	20	30		FDEDRO
C#CCN(C(=O)C(=O)N(C)Cc1ccc(F)cc1F)C1CC[NH+](C)CC1	ZINC000910885891	857838776	/nfs/dbraw/zinc/83/87/76/857838776.db2.gz	OVXPCYKNFVNAFB-UHFFFAOYSA-N	1	0	363.408	1.479	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccncc1	ZINC000911000067	858015508	/nfs/dbraw/zinc/01/55/08/858015508.db2.gz	BQWHDQAERFIFKK-IRXDYDNUSA-N	1	0	372.469	1.090	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C[C@H](C)O)C1CC1	ZINC000669334872	862999501	/nfs/dbraw/zinc/99/95/01/862999501.db2.gz	GKBASCSDJSNNJS-UAGQMJEPSA-N	1	0	361.490	1.740	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@@H]2COC[C@H]2C1	ZINC000669336234	863003466	/nfs/dbraw/zinc/00/34/66/863003466.db2.gz	YIGNZOBRVBQNFQ-TVFCKZIOSA-N	1	0	373.501	1.863	20	30		FDEDRO
C=C(C)Cn1c(-c2cc[nH]n2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000669340194	863026659	/nfs/dbraw/zinc/02/66/59/863026659.db2.gz	VHPRNTRBLHYXBN-HNNXBMFYSA-N	1	0	357.462	1.403	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)NCCCCCC2CC[NH2+]CC2)c1	ZINC000911401423	858587663	/nfs/dbraw/zinc/58/76/63/858587663.db2.gz	AEOIBNCGVCIPSJ-UHFFFAOYSA-N	1	0	374.460	1.990	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)C1	ZINC000911494148	858686705	/nfs/dbraw/zinc/68/67/05/858686705.db2.gz	PDTONQVMKQDGOI-BLIXFSHQSA-N	1	0	355.482	1.976	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1	ZINC000911562336	858769844	/nfs/dbraw/zinc/76/98/44/858769844.db2.gz	KNHQDQIXYGXVQT-SFHVURJKSA-N	1	0	354.454	1.721	20	30		FDEDRO
N#Cc1ncn(CC(=O)N[C@H]2c3ccccc3CC[C@H]2[NH+]2CCCC2)n1	ZINC000911569203	858791857	/nfs/dbraw/zinc/79/18/57/858791857.db2.gz	PTEGJPHNODGOTK-APWZRJJASA-N	1	0	350.426	1.418	20	30		FDEDRO
CC(C)[NH+]1CCN(CCCC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)CC1	ZINC000911869941	859057947	/nfs/dbraw/zinc/05/79/47/859057947.db2.gz	CAHCODDAKSKILB-HXUWFJFHSA-N	1	0	372.513	1.856	20	30		FDEDRO
C=CCCC[C@H]([NH3+])C(=O)N(CC)CC(=O)Nc1ccc2c(c1)OCCO2	ZINC000912008205	859201928	/nfs/dbraw/zinc/20/19/28/859201928.db2.gz	SQANOGGTSZDLQP-HNNXBMFYSA-N	1	0	361.442	1.928	20	30		FDEDRO
CC(C)[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC[N@@H+]1C	ZINC000489330972	859693926	/nfs/dbraw/zinc/69/39/26/859693926.db2.gz	POWRQGOMEDPOGN-RBUKOAKNSA-N	1	0	368.481	1.848	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)CCC[C@@H]12	ZINC000991381614	859728704	/nfs/dbraw/zinc/72/87/04/859728704.db2.gz	DKHBZBPSMOAUJL-HGTKMLMNSA-N	1	0	360.376	1.469	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)Cc1cnn(C)c1	ZINC000669035020	860858808	/nfs/dbraw/zinc/85/88/08/860858808.db2.gz	HFXXBYTYUOXPPA-CVEARBPZSA-N	1	0	357.462	1.370	20	30		FDEDRO
C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H]1CCN(OC)C1=O	ZINC000916410382	881589445	/nfs/dbraw/zinc/58/94/45/881589445.db2.gz	SUXQWHAHMGKEMW-AWEZNQCLSA-N	1	0	365.503	1.747	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000669039963	860918839	/nfs/dbraw/zinc/91/88/39/860918839.db2.gz	UEYYCQWKGMIYHH-MJGOQNOKSA-N	1	0	373.497	1.722	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCCc2nnc3n2CCCCC3)CC1	ZINC000916425001	881597350	/nfs/dbraw/zinc/59/73/50/881597350.db2.gz	OKFCANYPJVFLCD-UHFFFAOYSA-N	1	0	358.490	1.334	20	30		FDEDRO
N#Cc1ccc(N2C[C@@H](C(=O)N3CC[C@H]([NH+]4CCC4)C3)CC2=O)cc1Cl	ZINC000912904027	861036075	/nfs/dbraw/zinc/03/60/75/861036075.db2.gz	OJNPEZUFZLEWTD-HOCLYGCPSA-N	1	0	372.856	1.871	20	30		FDEDRO
COc1cccc([C@@H](O)CN(CC(=O)NCC#N)Cc2ccccc2)c1	ZINC000157516009	863418918	/nfs/dbraw/zinc/41/89/18/863418918.db2.gz	FLZYQNKUFRIOKW-IBGZPJMESA-N	1	0	353.422	1.871	20	30		FDEDRO
CC[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#Cc2ccccc2)[C@H](C)C1	ZINC001105836303	863430093	/nfs/dbraw/zinc/43/00/93/863430093.db2.gz	HGBPSDWQHBKHLD-NLWGTHIKSA-N	1	0	369.509	1.885	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CSC(C)C)C[C@H]2C)C1=O	ZINC001105842999	863449205	/nfs/dbraw/zinc/44/92/05/863449205.db2.gz	SLLYTOHWSLYCFG-BZUAXINKSA-N	1	0	353.532	1.599	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2sccc2COC)C[C@H]1C	ZINC001106873301	881663265	/nfs/dbraw/zinc/66/32/65/881663265.db2.gz	XLFFJPCBGVHAOZ-GDBMZVCRSA-N	1	0	350.484	1.842	20	30		FDEDRO
CCC(CC)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C	ZINC001105850490	863489106	/nfs/dbraw/zinc/48/91/06/863489106.db2.gz	PPADHZURXXWLIS-QLFBSQMISA-N	1	0	368.547	1.621	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)SC)C[C@H]1C	ZINC001105851607	863490830	/nfs/dbraw/zinc/49/08/30/863490830.db2.gz	JLDSFGIPIVQGPK-QLFBSQMISA-N	1	0	354.520	1.184	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)SC)C[C@H]1C	ZINC001105851425	863490976	/nfs/dbraw/zinc/49/09/76/863490976.db2.gz	GTQKVKCEHZAGBY-BZUAXINKSA-N	1	0	355.548	1.847	20	30		FDEDRO
CC(C)[C@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C	ZINC001105849461	863498809	/nfs/dbraw/zinc/49/88/09/863498809.db2.gz	VOEAWTDLRXDWFB-QLFBSQMISA-N	1	0	354.520	1.088	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCCO2)C[C@H]1C	ZINC001105859128	863520028	/nfs/dbraw/zinc/52/00/28/863520028.db2.gz	TUHJGUJLWXVJBX-KURKYZTESA-N	1	0	365.518	1.664	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2cncnc2C)C[C@H]1C	ZINC001105861687	863543078	/nfs/dbraw/zinc/54/30/78/863543078.db2.gz	DZINBDJCXYICIB-ZWNOBZJWSA-N	1	0	353.264	1.991	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCOC)C[C@H]1C	ZINC001105867423	863554635	/nfs/dbraw/zinc/55/46/35/863554635.db2.gz	ICSSWCIEJNSEMG-IAGOWNOFSA-N	1	0	351.491	1.298	20	30		FDEDRO
C=CCN1CC(=O)N(Cc2ccccc2CN2CC[NH+](CC)CC2)C1=O	ZINC000761006973	863675106	/nfs/dbraw/zinc/67/51/06/863675106.db2.gz	XOGDOZXRHPDQJD-UHFFFAOYSA-N	1	0	356.470	1.774	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)[C@H](C)C1	ZINC001105913180	863951038	/nfs/dbraw/zinc/95/10/38/863951038.db2.gz	UKMAJHJQXCGOIU-OWCLPIDISA-N	1	0	353.507	1.566	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+]Cc2nc3c(cnn3C)c(=O)[nH]2)[C@H](C)C1	ZINC001105929548	864068802	/nfs/dbraw/zinc/06/88/02/864068802.db2.gz	VVGMSAGGUMNECK-CHWSQXEVSA-N	1	0	358.446	1.219	20	30		FDEDRO
CCNC(=O)CCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1	ZINC001105931731	864076907	/nfs/dbraw/zinc/07/69/07/864076907.db2.gz	PEXPRZFFRFDPCD-ZIAGYGMSSA-N	1	0	362.499	1.720	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)N2CCCCC2)[C@H](C)C1	ZINC001105938293	864132364	/nfs/dbraw/zinc/13/23/64/864132364.db2.gz	OMZNDKKRMMTXLA-BRWVUGGUSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CCOC[C@H]2CCCCO2)[C@H](C)C1	ZINC001105941521	864150407	/nfs/dbraw/zinc/15/04/07/864150407.db2.gz	ABWKFWZDCLMAOG-KZNAEPCWSA-N	1	0	354.491	1.459	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccc(C)cc2)[C@H](C)C1	ZINC001105942407	864160835	/nfs/dbraw/zinc/16/08/35/864160835.db2.gz	GMVWVAGQICDTIQ-IAGOWNOFSA-N	1	0	359.470	1.820	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)CSC)C[C@H]1C	ZINC001105946523	864190509	/nfs/dbraw/zinc/19/05/09/864190509.db2.gz	WVZXRXAEJMNVJM-BZUAXINKSA-N	1	0	368.547	1.432	20	30		FDEDRO
C=C(CNC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)c1ccccc1	ZINC000669586499	864264510	/nfs/dbraw/zinc/26/45/10/864264510.db2.gz	TWRTXTBSMIDAMC-MJGOQNOKSA-N	1	0	370.497	1.990	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C2CC2)[C@H](C)C1	ZINC001105984529	864342054	/nfs/dbraw/zinc/34/20/54/864342054.db2.gz	NELYUQNYYMBMHB-HZPDHXFCSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@@H](C)CCC)[C@H](C)C1	ZINC001105984689	864343267	/nfs/dbraw/zinc/34/32/67/864343267.db2.gz	VMMPDQYUYRIDCT-FGTMMUONSA-N	1	0	367.534	1.958	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1CN([C@@H](C)C(=O)N2CCC(C)CC2)C[C@H]1OC	ZINC001212185577	864627530	/nfs/dbraw/zinc/62/75/30/864627530.db2.gz	YBUDDDJOMJIUOH-RCCFBDPRSA-N	1	0	363.502	1.252	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCCO2)C[C@H]1C	ZINC001106012140	864643874	/nfs/dbraw/zinc/64/38/74/864643874.db2.gz	BXXIPORBGDDERA-KZNAEPCWSA-N	1	0	363.502	1.440	20	30		FDEDRO
C=CCN1C(=O)N([C@H]2CC[N@@H+](CCOC)C2)C(=O)[C@@H]1Cc1ccccc1	ZINC000761256207	864647674	/nfs/dbraw/zinc/64/76/74/864647674.db2.gz	MKMATKVOHWMINB-ROUUACIJSA-N	1	0	357.454	1.769	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]CC(=O)N1CCC[C@@H](C)C1	ZINC001106016055	864655704	/nfs/dbraw/zinc/65/57/04/864655704.db2.gz	QLINSQQLJGMUNY-BZUAXINKSA-N	1	0	371.485	1.443	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]CC(=O)N1CCC(C)CC1	ZINC001106017659	864660018	/nfs/dbraw/zinc/66/00/18/864660018.db2.gz	QDSFPFZCXPKRAS-HZPDHXFCSA-N	1	0	371.485	1.443	20	30		FDEDRO
C=CCN1CC[C@@H](N2CC[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)[C@H]2C)C1=O	ZINC001088860751	864811276	/nfs/dbraw/zinc/81/12/76/864811276.db2.gz	ZURABQARKBPFGC-IXDOHACOSA-N	1	0	362.518	1.084	20	30		FDEDRO
Cn1nccc1[C@H]1[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)CCC(=O)N1C	ZINC000496933021	881808636	/nfs/dbraw/zinc/80/86/36/881808636.db2.gz	PDKQLRMLOLDTNT-DNVCBOLYSA-N	1	0	363.425	1.391	20	30		FDEDRO
CCC[C@@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC001106029000	864875302	/nfs/dbraw/zinc/87/53/02/864875302.db2.gz	DGRCVMACWKBFFY-IIAWOOMASA-N	1	0	359.474	1.489	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)cc2F)[C@H](C)C1	ZINC001106029282	864877094	/nfs/dbraw/zinc/87/70/94/864877094.db2.gz	ONLIPKZJXGCOBS-UKRRQHHQSA-N	1	0	363.408	1.288	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(Cl)nc2)[C@H](C)C1	ZINC001106029523	864883083	/nfs/dbraw/zinc/88/30/83/864883083.db2.gz	WBROJHJKPKRAOW-UKRRQHHQSA-N	1	0	362.861	1.059	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+][C@H](C)c2cccc(OC)c2)[C@H](C)C1	ZINC001106035826	864911235	/nfs/dbraw/zinc/91/12/35/864911235.db2.gz	YUBFMLWRFWDXHF-JFIYKMOQSA-N	1	0	371.481	1.580	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2)[C@H](C)C1	ZINC001106033355	864923686	/nfs/dbraw/zinc/92/36/86/864923686.db2.gz	MJXOENPWOXFMHF-HLLBOEOZSA-N	1	0	359.445	1.710	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CC(F)F)[C@H](C)C1	ZINC001106058760	865064278	/nfs/dbraw/zinc/06/42/78/865064278.db2.gz	HSRCLTVKRPZKIJ-PBFPGSCMSA-N	1	0	371.432	1.054	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2ncnn2C(C)(C)C)[C@H](C)C1	ZINC001106059500	865071117	/nfs/dbraw/zinc/07/11/17/865071117.db2.gz	WSNKXZHDAMRHHV-SPYBWZPUSA-N	1	0	363.506	1.544	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]CC2CCS(=O)(=O)CC2)[C@H](C)C1	ZINC001106064521	865109429	/nfs/dbraw/zinc/10/94/29/865109429.db2.gz	BEMNZTMWFOJFTI-NVXWUHKLSA-N	1	0	354.516	1.299	20	30		FDEDRO
Cc1ccc(N(CCC#N)C(=O)CN2CC[NH+](CC(C)(C)O)CC2)cc1C	ZINC000171151515	865126335	/nfs/dbraw/zinc/12/63/35/865126335.db2.gz	YEBWOBLSYSOYIP-UHFFFAOYSA-N	1	0	372.513	1.939	20	30		FDEDRO
Cc1nc(SCC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n[nH]1	ZINC000593883618	865355152	/nfs/dbraw/zinc/35/51/52/865355152.db2.gz	RARPAZZFUGVXMA-UHFFFAOYSA-N	1	0	370.482	1.858	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc4c(c3)COC4)[C@@H]2C)nn1	ZINC001088907280	865371661	/nfs/dbraw/zinc/37/16/61/865371661.db2.gz	JOSXTYVOQCELBP-KDOFPFPSSA-N	1	0	367.453	1.887	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(CO)cc3)[C@@H]2C)nn1	ZINC001088910795	865396271	/nfs/dbraw/zinc/39/62/71/865396271.db2.gz	HXTYEGBHEZJWLC-QAPCUYQASA-N	1	0	369.469	1.739	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1	ZINC000947340027	865455485	/nfs/dbraw/zinc/45/54/85/865455485.db2.gz	QYTBWWGAGBWPGK-BZSNNMDCSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCN1CC[C@H](N2CC[C@H](NC(=O)c3coc(CCC)n3)[C@H]2C)C1=O	ZINC001088978964	865868377	/nfs/dbraw/zinc/86/83/77/865868377.db2.gz	MXXHKUPSKLLOOS-YCPHGPKFSA-N	1	0	360.458	1.607	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCn3nc(C)cc3C)[C@@H]2C)cn1	ZINC001088991056	865956577	/nfs/dbraw/zinc/95/65/77/865956577.db2.gz	GABXOWDTELXXRQ-APWZRJJASA-N	1	0	351.454	1.769	20	30		FDEDRO
Cc1nc[nH]c1CC(=O)N[C@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)[C@@H]1C	ZINC001089005778	866008030	/nfs/dbraw/zinc/00/80/30/866008030.db2.gz	XQQTYNPMDLAHBI-QAPCUYQASA-N	1	0	367.453	1.942	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1	ZINC000173784890	866133084	/nfs/dbraw/zinc/13/30/84/866133084.db2.gz	OYOPNXNCQUEYGL-HNNXBMFYSA-N	1	0	362.449	1.843	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccn(C)n2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001089039293	866219511	/nfs/dbraw/zinc/21/95/11/866219511.db2.gz	FVBJFOQFAQFLSM-PBHICJAKSA-N	1	0	353.426	1.715	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3conc3CC)[C@@H]2C)CC1	ZINC001089060006	866390227	/nfs/dbraw/zinc/39/02/27/866390227.db2.gz	NEDAHTBXIHXNKE-BEFAXECRSA-N	1	0	358.486	1.661	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N(C)C2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001089062673	866426911	/nfs/dbraw/zinc/42/69/11/866426911.db2.gz	SJDGUWYJQWRWHC-JLSDUUJJSA-N	1	0	354.454	1.506	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1	ZINC000991979259	866747948	/nfs/dbraw/zinc/74/79/48/866747948.db2.gz	GVBZGTDTFDYGNV-BBWFWOEESA-N	1	0	351.491	1.271	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1	ZINC000991991173	866917503	/nfs/dbraw/zinc/91/75/03/866917503.db2.gz	REFXSDSDFIYTCC-LAQRGFTBSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)C23CCC[NH+](CCC2)C3)C1	ZINC000992075284	867704699	/nfs/dbraw/zinc/70/46/99/867704699.db2.gz	VYEZTYKLTYPOLX-SJORKVTESA-N	1	0	361.486	1.171	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnoc1CC)C2	ZINC001112538180	882132919	/nfs/dbraw/zinc/13/29/19/882132919.db2.gz	SOUGDSIOWPJIHR-LIRRHRJNSA-N	1	0	360.458	1.371	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000428786510	867922856	/nfs/dbraw/zinc/92/28/56/867922856.db2.gz	NULBDLYPYRMPGM-OGWOLHLISA-N	1	0	355.442	1.849	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[C@H]4C(N)=O)CC[C@@H]3C2)cc1	ZINC000946782009	882135083	/nfs/dbraw/zinc/13/50/83/882135083.db2.gz	MLXAEXGZACOMMS-HCXYKTFWSA-N	1	0	366.465	1.350	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]CC(=O)NCc1ccc(F)cc1	ZINC001106101305	868103635	/nfs/dbraw/zinc/10/36/35/868103635.db2.gz	RVEYRICQOUTYQQ-CRAIPNDOSA-N	1	0	371.456	1.539	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC(F)(F)F)[C@H](C)C1	ZINC001106105570	868141755	/nfs/dbraw/zinc/14/17/55/868141755.db2.gz	XULDMPMIAVAYCL-ZIAGYGMSSA-N	1	0	361.408	1.351	20	30		FDEDRO
N#Cc1cc(C[N@@H+]2CC[C@@]3(NC(=O)[C@H]4C[C@H]4C(N)=O)CCC[C@H]23)ccc1F	ZINC000992177236	868172262	/nfs/dbraw/zinc/17/22/62/868172262.db2.gz	JJSPJNCOBSUQHI-RPWFAHAXSA-N	1	0	370.428	1.432	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]CC(=O)Nc1ccccc1F	ZINC001106106487	868190466	/nfs/dbraw/zinc/19/04/66/868190466.db2.gz	ZMYMSWHGBLDQKB-GDBMZVCRSA-N	1	0	357.429	1.862	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC2CC(NC(=O)C[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000992184186	868211707	/nfs/dbraw/zinc/21/17/07/868211707.db2.gz	BWVBTUBMWAABQW-CYBJAVJLSA-N	1	0	371.525	1.779	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)Cc2nnc(C)[nH]2)C[C@H]1C	ZINC001106107455	868249150	/nfs/dbraw/zinc/24/91/50/868249150.db2.gz	AUSGFXKOYAETGP-BXKDBHETSA-N	1	0	356.268	1.248	20	30		FDEDRO
C=CC1(CC(=O)NCCN2CC[NH+](C)CC2)CN(C(=O)OC(C)(C)C)C1	ZINC000929580605	868257117	/nfs/dbraw/zinc/25/71/17/868257117.db2.gz	BNTTYKZYVSITSD-UHFFFAOYSA-N	1	0	366.506	1.163	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]CCn2cc(Cl)cn2)[C@H](C)C1	ZINC001106115191	868515514	/nfs/dbraw/zinc/51/55/14/868515514.db2.gz	QTOJDLSZFBYKFB-HUUCEWRRSA-N	1	0	352.866	1.261	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nc(C(C)C)ns2)[C@H](C)C1	ZINC001106116465	868571098	/nfs/dbraw/zinc/57/10/98/868571098.db2.gz	CZSHEBGXZJBZCU-QLFBSQMISA-N	1	0	364.515	1.884	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CCn2cc(Cl)cn2)[C@H](C)C1	ZINC001106116583	868577615	/nfs/dbraw/zinc/57/76/15/868577615.db2.gz	HUBVXBRNERKBEF-QLFBSQMISA-N	1	0	352.866	1.259	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CCCOCC(F)(F)F)[C@H](C)C1	ZINC001106116976	868582666	/nfs/dbraw/zinc/58/26/66/868582666.db2.gz	VNMWJZJTZFMITR-RBSFLKMASA-N	1	0	364.408	1.678	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]CCOCC(F)(F)F)[C@H](C)C1	ZINC001106117193	868587406	/nfs/dbraw/zinc/58/74/06/868587406.db2.gz	JQOMRQUWLQHOBP-ZIAGYGMSSA-N	1	0	350.381	1.289	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1	ZINC000946794058	882219665	/nfs/dbraw/zinc/21/96/65/882219665.db2.gz	XJVUZYJAZBBLLM-SZMVWBNQSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)C2CCN(C(=O)C(C)C)CC2)[C@@H](O)C1	ZINC001083688990	868987870	/nfs/dbraw/zinc/98/78/70/868987870.db2.gz	VQPBYCCHTHVSMI-SJORKVTESA-N	1	0	351.491	1.009	20	30		FDEDRO
C[C@H](CC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1)NC(N)=O	ZINC001106126215	868994512	/nfs/dbraw/zinc/99/45/12/868994512.db2.gz	MRQQRSVAUCVNDX-CKEIUWERSA-N	1	0	357.458	1.189	20	30		FDEDRO
C[NH+](C)CC1(O)CCN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC1	ZINC000913680093	869367364	/nfs/dbraw/zinc/36/73/64/869367364.db2.gz	DONHSKZADCWWMW-GOSISDBHSA-N	1	0	356.470	1.442	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)C2CC[NH+](C)CC2)C1	ZINC001060420692	869519951	/nfs/dbraw/zinc/51/99/51/869519951.db2.gz	UWJDUEFHBNNRCQ-NXHRZFHOSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2cc(OC)ncn2)C[C@H]1C	ZINC001106136342	870431587	/nfs/dbraw/zinc/43/15/87/870431587.db2.gz	CCNRBRVBYZIDPK-ZYHUDNBSSA-N	1	0	369.263	1.692	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c(Cl)cnn2C)C[C@H]1C	ZINC001106137123	870530598	/nfs/dbraw/zinc/53/05/98/870530598.db2.gz	ODRSSGJMDQTMKA-JHJVBQTASA-N	1	0	367.881	1.062	20	30		FDEDRO
CN(CCC[NH+]1CCN(C)CC1)Cc1nnc(-c2cccc(C#N)c2)o1	ZINC000492912425	870536051	/nfs/dbraw/zinc/53/60/51/870536051.db2.gz	OVIZZBARDPNOPF-UHFFFAOYSA-N	1	0	354.458	1.678	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3CC)C2)CC1	ZINC001060443626	870618138	/nfs/dbraw/zinc/61/81/38/870618138.db2.gz	PRZPEMBWSKZVRK-ZHALLVOQSA-N	1	0	359.514	1.733	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]2C)cn1	ZINC000994382758	882440350	/nfs/dbraw/zinc/44/03/50/882440350.db2.gz	AHAASSSZHLQLHK-JFIYKMOQSA-N	1	0	368.481	1.229	20	30		FDEDRO
CCOCCC1(C(=O)N2C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C2)CCC1	ZINC001106139232	870804282	/nfs/dbraw/zinc/80/42/82/870804282.db2.gz	OUKRUEYVAQUZMB-QZTJIDSGSA-N	1	0	350.503	1.917	20	30		FDEDRO
C[NH+](C)C1CCN(C(=O)Cc2noc(CNc3ccc(C#N)cc3)n2)CC1	ZINC000350959371	870905390	/nfs/dbraw/zinc/90/53/90/870905390.db2.gz	NFHJIWKLSODDID-UHFFFAOYSA-N	1	0	368.441	1.648	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]2C)nc1	ZINC000994384397	882455934	/nfs/dbraw/zinc/45/59/34/882455934.db2.gz	ONDFQAMCMMBVAQ-KYJSFNMBSA-N	1	0	356.470	1.227	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[C@@H]2CCCCO2)C[C@H]1C	ZINC001106143144	871302481	/nfs/dbraw/zinc/30/24/81/871302481.db2.gz	SSHBJVIKDPOVJY-ZACQAIPSSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=CCN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)CC2)C1=O	ZINC001002872096	871607497	/nfs/dbraw/zinc/60/74/97/871607497.db2.gz	NZHJPDZNCNPGHN-JFRXWTBNSA-N	1	0	357.498	1.956	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)/C=C\C4CC4)C[C@]3(C)C2)CC1	ZINC000992750978	871865888	/nfs/dbraw/zinc/86/58/88/871865888.db2.gz	YILWQXJLXMYWFR-JNKZXAJXSA-N	1	0	369.509	1.605	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2	ZINC001003021323	872311965	/nfs/dbraw/zinc/31/19/65/872311965.db2.gz	NOZIOAIHBYPKCD-ZACQAIPSSA-N	1	0	361.486	1.123	20	30		FDEDRO
C#CC[C@@H](CO)[NH2+][C@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000922140361	872390527	/nfs/dbraw/zinc/39/05/27/872390527.db2.gz	HHWUFDUJSMLISN-HOTGVXAUSA-N	1	0	352.475	1.909	20	30		FDEDRO
C#CC[C@@H](CO)[NH2+]Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000922141713	872408672	/nfs/dbraw/zinc/40/86/72/872408672.db2.gz	XRWCSPHTDIIYIQ-GJZGRUSLSA-N	1	0	363.462	1.324	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCn2nc(C)nc2C)C1	ZINC001033498271	882629619	/nfs/dbraw/zinc/62/96/19/882629619.db2.gz	WIUCYTUHQMHULF-SQNIBIBYSA-N	1	0	361.490	1.409	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CC1([NH+](C)C)CCCC1	ZINC001077528350	872982640	/nfs/dbraw/zinc/98/26/40/872982640.db2.gz	MHQADEGTOHFDMA-BBWFWOEESA-N	1	0	365.518	1.853	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1	ZINC000992890954	873118456	/nfs/dbraw/zinc/11/84/56/873118456.db2.gz	VKLHKZMMCHSTDS-BBTUJRGHSA-N	1	0	357.498	1.581	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC=CC2)CC1	ZINC001003363696	873218950	/nfs/dbraw/zinc/21/89/50/873218950.db2.gz	SCEUUUAELHGZRV-QRVBRYPASA-N	1	0	355.482	1.546	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCO[C@@H](C)C2)[C@H](C)C1	ZINC001106194244	873271006	/nfs/dbraw/zinc/27/10/06/873271006.db2.gz	DOPFXBGUDDVRBK-IXDOHACOSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NCC(C)C)[C@H](C)C1	ZINC001106194655	873281770	/nfs/dbraw/zinc/28/17/70/873281770.db2.gz	VROKTRMYTIADIQ-HZPDHXFCSA-N	1	0	366.506	1.509	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1C	ZINC001106205922	873704407	/nfs/dbraw/zinc/70/44/07/873704407.db2.gz	YOABLWMEEBVJOS-HZPDHXFCSA-N	1	0	361.552	1.532	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)c4ccoc4)C[C@@]3(C)C2)CC1	ZINC000993019244	873706058	/nfs/dbraw/zinc/70/60/58/873706058.db2.gz	IVNWKZDTURDBNE-GHTZIAJQSA-N	1	0	369.465	1.545	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)COc2ccc(F)cc2F)C[C@H]1C	ZINC001106207212	873713568	/nfs/dbraw/zinc/71/35/68/873713568.db2.gz	QLWRQHBJDNTVDB-HUUCEWRRSA-N	1	0	366.408	1.678	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2)CC1	ZINC000922215771	873895878	/nfs/dbraw/zinc/89/58/78/873895878.db2.gz	QHSAYLSDXRERMO-KRWDZBQOSA-N	1	0	358.490	1.094	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(COC)CCCC2)C[C@H]1C	ZINC001106216761	873908568	/nfs/dbraw/zinc/90/85/68/873908568.db2.gz	CLFPZYXCCDCGBY-BRWVUGGUSA-N	1	0	363.502	1.015	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]cn2)C[C@H]1C	ZINC001106223535	873954822	/nfs/dbraw/zinc/95/48/22/873954822.db2.gz	IZLZNQCIQIGNHG-DGCLKSJQSA-N	1	0	355.280	1.935	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)Cn2cccn2)[C@@H](n2ccnn2)C1	ZINC001128694884	882780254	/nfs/dbraw/zinc/78/02/54/882780254.db2.gz	UNDYZTRNKRBADO-SJORKVTESA-N	1	0	357.462	1.263	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCc2ncc(C)o2)C[C@H]1C	ZINC001106230087	874025192	/nfs/dbraw/zinc/02/51/92/874025192.db2.gz	LTANXMDWXSERMZ-GDBMZVCRSA-N	1	0	362.474	1.292	20	30		FDEDRO
C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(C#N)[nH]2)CC1	ZINC001003741035	874119673	/nfs/dbraw/zinc/11/96/73/874119673.db2.gz	BOGSFVWMAHOEGJ-OIISXLGYSA-N	1	0	355.442	1.090	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]CCc2ccnn2C)[C@H](C)C1	ZINC001106252056	874143371	/nfs/dbraw/zinc/14/33/71/874143371.db2.gz	DDFIXNDYOWGYFM-IAGOWNOFSA-N	1	0	355.486	1.948	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1C	ZINC001106255869	874171504	/nfs/dbraw/zinc/17/15/04/874171504.db2.gz	MOVLLAONMIDLFE-ZYHUDNBSSA-N	1	0	369.263	1.482	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH]c(=O)[nH]c32)C[C@H]1C	ZINC001106263945	874243103	/nfs/dbraw/zinc/24/31/03/874243103.db2.gz	UCWDRZXPRKWVSN-ZIAGYGMSSA-N	1	0	356.426	1.216	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCOCCC(C)C)[C@H](C)C1	ZINC001106266411	874260367	/nfs/dbraw/zinc/26/03/67/874260367.db2.gz	INLITFBFEJUWJA-AQNXPRMDSA-N	1	0	363.546	1.831	20	30		FDEDRO
C[C@@]12CN(C(=O)C#CC3CC3)C[C@@H]1CN(C(=O)c1ccc3c[nH+]cn3c1)C2	ZINC000993137716	874728148	/nfs/dbraw/zinc/72/81/48/874728148.db2.gz	ZNWNWDUYGTVYDL-UTKZUKDTSA-N	1	0	362.433	1.668	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C[C@H]1C	ZINC001106317671	874747701	/nfs/dbraw/zinc/74/77/01/874747701.db2.gz	NARFICYLNNFVLG-SYQHCUMBSA-N	1	0	350.381	1.593	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3ncn(C)c32)C[C@H]1C	ZINC001106336752	874825462	/nfs/dbraw/zinc/82/54/62/874825462.db2.gz	DFJYYKNZXQWSFD-HUUCEWRRSA-N	1	0	369.469	1.173	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(cc[nH]c3=O)n2)C[C@H]1C	ZINC001106343539	874855739	/nfs/dbraw/zinc/85/57/39/874855739.db2.gz	HXMJOKADDQNAQD-HUUCEWRRSA-N	1	0	368.437	1.283	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)o2)C[C@H]1C	ZINC001106371443	874948106	/nfs/dbraw/zinc/94/81/06/874948106.db2.gz	ZOMMNOJJWQZANB-CHWSQXEVSA-N	1	0	355.460	1.191	20	30		FDEDRO
CC(C)c1cccc(CC(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)c1	ZINC001106376071	874969000	/nfs/dbraw/zinc/96/90/00/874969000.db2.gz	SQJVVMPKSBEYDB-VQIMIIECSA-N	1	0	370.497	1.676	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccnc2N2CCCC2)C[C@H]1C	ZINC001106384967	875006546	/nfs/dbraw/zinc/00/65/46/875006546.db2.gz	YUPPAJCQZULNML-QZTJIDSGSA-N	1	0	370.497	1.629	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(OC)c(F)c2)C[C@H]1C	ZINC001106390756	875052176	/nfs/dbraw/zinc/05/21/76/875052176.db2.gz	BPAYOEKVTBGOCR-NVXWUHKLSA-N	1	0	362.445	1.711	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(C)cc2)C[C@H]1C	ZINC001106390852	875053136	/nfs/dbraw/zinc/05/31/36/875053136.db2.gz	HSORXVPHPQBOOJ-ZIFCJYIRSA-N	1	0	355.482	1.360	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2OCC(N)=O)C[C@H]1C	ZINC001106397626	875105478	/nfs/dbraw/zinc/10/54/78/875105478.db2.gz	NRWNKCBJVHPNKK-HZPDHXFCSA-N	1	0	359.470	1.815	20	30		FDEDRO
CC[C@@H](C(=O)N1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@]2(C)C1)[NH+](C)C	ZINC000993164414	875230527	/nfs/dbraw/zinc/23/05/27/875230527.db2.gz	KYRJBBBFPZVQEJ-ALKREAHSSA-N	1	0	357.458	1.147	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3nncn3CC2)C[C@H]1C	ZINC001106450603	875357777	/nfs/dbraw/zinc/35/77/77/875357777.db2.gz	OWRQJDMJLVTUGX-VHDGCEQUSA-N	1	0	351.882	1.667	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2nc(C)c3cccnc32)C[C@H]1C	ZINC001106461173	875448283	/nfs/dbraw/zinc/44/82/83/875448283.db2.gz	OGASUIZRNZBRCT-NVXWUHKLSA-N	1	0	369.469	1.074	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CC(C)(C)COC)C[C@H]2C)C1=O	ZINC001106471988	875550078	/nfs/dbraw/zinc/55/00/78/875550078.db2.gz	NQFJYAKETASRGH-ZACQAIPSSA-N	1	0	365.518	1.520	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COCCN2CC2CCC2)C[C@H]1C	ZINC001106474453	875573556	/nfs/dbraw/zinc/57/35/56/875573556.db2.gz	MYDGUAYBEPCGDW-OLMNPRSZSA-N	1	0	369.937	1.924	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C[C@H]1C	ZINC001106481258	875617226	/nfs/dbraw/zinc/61/72/26/875617226.db2.gz	PASCLMWRVSIMRG-NRSFXHEJSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)[C@H](C)C1	ZINC001106482003	875620360	/nfs/dbraw/zinc/62/03/60/875620360.db2.gz	BTQACBRGHAFILL-JXXFODFXSA-N	1	0	367.534	1.814	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]CCc2ccnn2C)[C@H](C)C1	ZINC001106486581	875642547	/nfs/dbraw/zinc/64/25/47/875642547.db2.gz	YLYUGYFERTYZNI-MBOZVWFJSA-N	1	0	362.518	1.876	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CC2)[C@H](C)C1	ZINC001106486504	875642658	/nfs/dbraw/zinc/64/26/58/875642658.db2.gz	VPUMKNTWRIYDPD-CLCXKQKWSA-N	1	0	351.491	1.178	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCc2nc3ccccc3n2CC)CC1	ZINC000915194813	875703785	/nfs/dbraw/zinc/70/37/85/875703785.db2.gz	MZWKYGVEGHTNLM-UHFFFAOYSA-N	1	0	353.470	1.996	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cnc3cc(C)nn3c2C)C[C@H]1C	ZINC001106499088	875716888	/nfs/dbraw/zinc/71/68/88/875716888.db2.gz	ATBGYHRNFXNGMZ-RHSMWYFYSA-N	1	0	371.485	1.846	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cccc(-c3nc[nH]n3)c2)C[C@H]1C	ZINC001106513779	875784651	/nfs/dbraw/zinc/78/46/51/875784651.db2.gz	OAMZDVZWZNMHLC-CRAIPNDOSA-N	1	0	369.469	1.972	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2nncs2)[C@H](C)C1	ZINC001106527070	875845042	/nfs/dbraw/zinc/84/50/42/875845042.db2.gz	GWHLUTMQHFABOD-VXGBXAGGSA-N	1	0	351.476	1.373	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]CCCNS(=O)(=O)CC)[C@H](C)C1	ZINC001106527303	875846278	/nfs/dbraw/zinc/84/62/78/875846278.db2.gz	OTXQBAKRSQZSQF-HUUCEWRRSA-N	1	0	359.536	1.212	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NCCC)[C@H](C)C1	ZINC001106527633	875847626	/nfs/dbraw/zinc/84/76/26/875847626.db2.gz	YAFVTXGZTKZSOE-ZIAGYGMSSA-N	1	0	352.479	1.119	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]Cc2nc(CCOC)no2)[C@H](C)C1	ZINC001106557789	875949884	/nfs/dbraw/zinc/94/98/84/875949884.db2.gz	GWBFKGQHXLRYHP-HZPDHXFCSA-N	1	0	362.474	1.636	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cnc3ccc(C)cc32)C[C@H]1C	ZINC001106581461	876026723	/nfs/dbraw/zinc/02/67/23/876026723.db2.gz	DPISULGAIIQHOC-QZTJIDSGSA-N	1	0	368.481	1.679	20	30		FDEDRO
C=C(C)COCCNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1	ZINC000762547036	876081127	/nfs/dbraw/zinc/08/11/27/876081127.db2.gz	VMWMVSBQRVRLFH-UHFFFAOYSA-N	1	0	360.458	1.086	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]2CN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C[C@]2(C)C1	ZINC000993206982	876099846	/nfs/dbraw/zinc/09/98/46/876099846.db2.gz	MBLNQRFSHQJETR-CZAAIQMYSA-N	1	0	359.514	1.991	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2cc(C)cc(C)c2)C[C@H]1C	ZINC001106617442	876229364	/nfs/dbraw/zinc/22/93/64/876229364.db2.gz	MXUOCTNRDLXJGC-QWFCFKBJSA-N	1	0	369.509	1.668	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(C)CC=CC2)C[C@H]1C	ZINC001106623229	876254199	/nfs/dbraw/zinc/25/41/99/876254199.db2.gz	NOTPZZPPWPUTHB-IAGOWNOFSA-N	1	0	360.502	1.789	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](C[NH2+]CCNC(=O)NC(C)C)[C@H](C)C1	ZINC001106628754	876273454	/nfs/dbraw/zinc/27/34/54/876273454.db2.gz	UENOMGBZDSXXGV-GPMSIDNRSA-N	1	0	352.523	1.980	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NC)[C@H](C)C2)CCC1	ZINC001106635836	876318961	/nfs/dbraw/zinc/31/89/61/876318961.db2.gz	GMRMZTWTEKZJOO-QLFBSQMISA-N	1	0	364.490	1.261	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]CCn3cc(Cl)cn3)[C@H](C)C2)c1	ZINC001106650350	876387738	/nfs/dbraw/zinc/38/77/38/876387738.db2.gz	KRPPOZHSAKZQPW-RHSMWYFYSA-N	1	0	371.872	1.911	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)NCCCC)[C@H](C)C2)c1	ZINC001106650528	876388010	/nfs/dbraw/zinc/38/80/10/876388010.db2.gz	RFITYWCREOYSTQ-GPMSIDNRSA-N	1	0	370.497	1.665	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2cn(C)nc2Cl)C[C@H]1C	ZINC001106662871	876437601	/nfs/dbraw/zinc/43/76/01/876437601.db2.gz	HUUQXEWCJXEVTN-UKRRQHHQSA-N	1	0	354.882	1.503	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C(C)C)[C@H](C)C1	ZINC001106680754	876549074	/nfs/dbraw/zinc/54/90/74/876549074.db2.gz	HJWCAHHRUNULKF-VQHPVUNQSA-N	1	0	351.491	1.128	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCCC2)[C@H](C)C1	ZINC001106681091	876550482	/nfs/dbraw/zinc/55/04/82/876550482.db2.gz	UPPSBRAXMXJMGB-AHCXZYCDSA-N	1	0	363.502	1.320	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c(C)cccc2C)C[C@H]1C	ZINC001106693244	876572755	/nfs/dbraw/zinc/57/27/55/876572755.db2.gz	YDAQYIKXUODTTF-KZNAEPCWSA-N	1	0	355.482	1.739	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C=C)cc2)C[C@H]1C	ZINC001106690033	876582346	/nfs/dbraw/zinc/58/23/46/876582346.db2.gz	CLMLPKQGFOYOLF-JTDSTZFVSA-N	1	0	353.466	1.765	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)[C@H](F)CC)C[C@]3(C)C2)CC1	ZINC000993266751	876778360	/nfs/dbraw/zinc/77/83/60/876778360.db2.gz	MIYZOYMREMXAMX-HLIPFELVSA-N	1	0	363.477	1.387	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCCn2nc(C)cc2C)C[C@H]1C	ZINC001106717658	876941199	/nfs/dbraw/zinc/94/11/99/876941199.db2.gz	LCZNEEVDJGZGOV-VQIMIIECSA-N	1	0	360.502	1.614	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2c(C)nn(C)c2OC)C[C@H]1C	ZINC001106717953	876942452	/nfs/dbraw/zinc/94/24/52/876942452.db2.gz	UKPRLSWTZHTQOZ-UKRRQHHQSA-N	1	0	350.463	1.237	20	30		FDEDRO
CC(=O)NCC1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000272347040	877008446	/nfs/dbraw/zinc/00/84/46/877008446.db2.gz	PZQDJVBWUKCVNI-IBGZPJMESA-N	1	0	354.454	1.902	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCC2CCOCC2)C[C@H]1C	ZINC001106727922	877010535	/nfs/dbraw/zinc/01/05/35/877010535.db2.gz	ZWBSLQOLIPFNCT-JFIYKMOQSA-N	1	0	363.502	1.015	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2sc(C)cc2OC)C[C@H]1C	ZINC001106728249	877053032	/nfs/dbraw/zinc/05/30/32/877053032.db2.gz	AXAMPAQUSLQOII-TZMCWYRMSA-N	1	0	363.483	1.112	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](C[C@@H]2CCc3ncnn32)CC1	ZINC001003788226	877219626	/nfs/dbraw/zinc/21/96/26/877219626.db2.gz	MEVLRCJIMDNVAB-BQFCYCMXSA-N	1	0	359.474	1.327	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2nocc2C)[C@H](C)C1	ZINC001106733579	877272500	/nfs/dbraw/zinc/27/25/00/877272500.db2.gz	AKKKULKYHGMHKZ-KBRIMQKVSA-N	1	0	362.474	1.638	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2coc(C)n2)[C@H](C)C1	ZINC001106733857	877278010	/nfs/dbraw/zinc/27/80/10/877278010.db2.gz	IXWBYVLDLZXGLM-QBIMZIAESA-N	1	0	362.474	1.638	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2cncs2)[C@H](C)C1	ZINC001106734356	877281780	/nfs/dbraw/zinc/28/17/80/877281780.db2.gz	XFIMZQOEXOXARN-UNEWFSDZSA-N	1	0	364.515	1.798	20	30		FDEDRO
N#Cc1ccc(Br)c(C[NH2+]C[C@@]23COC(=O)N2CCOC3)c1	ZINC000922317634	877576133	/nfs/dbraw/zinc/57/61/33/877576133.db2.gz	JLSOPJQECPNUOG-OAHLLOKOSA-N	1	0	366.215	1.632	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)CC1	ZINC000922345813	877823544	/nfs/dbraw/zinc/82/35/44/877823544.db2.gz	PMBUZVCWJVUPHL-VQIMIIECSA-N	1	0	368.481	1.573	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ncccn2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106788002	877915549	/nfs/dbraw/zinc/91/55/49/877915549.db2.gz	BYWYXKCEVDHMSI-NVXWUHKLSA-N	1	0	352.413	1.965	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCCNC(=O)/C=C\c2ccccc2)CC1	ZINC000922367475	877927106	/nfs/dbraw/zinc/92/71/06/877927106.db2.gz	XQIUPSZTUCSREE-KTKRTIGZSA-N	1	0	368.481	1.603	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nccs2)C[C@H]1C	ZINC001106792776	877947837	/nfs/dbraw/zinc/94/78/37/877947837.db2.gz	WXGYIVXPTLLICV-ZIAGYGMSSA-N	1	0	363.487	1.203	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2coc3ccccc23)C[C@H]1C	ZINC001106798463	878002253	/nfs/dbraw/zinc/00/22/53/878002253.db2.gz	GAAUHMBCPNMIED-NVXWUHKLSA-N	1	0	367.449	1.409	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc4c[nH+]cn4c2)C3)c1	ZINC001004111642	878061885	/nfs/dbraw/zinc/06/18/85/878061885.db2.gz	RNGIEUSRPWHLBA-KYJSFNMBSA-N	1	0	374.404	1.710	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)C[C@H]1C	ZINC001106815437	878234124	/nfs/dbraw/zinc/23/41/24/878234124.db2.gz	CVVOFSXJPZCKDC-IXDOHACOSA-N	1	0	361.490	1.579	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+]CCN3Cc4ccccc4OCC3=O)n2c1	ZINC000922463371	878271830	/nfs/dbraw/zinc/27/18/30/878271830.db2.gz	RVBGRLUUNFLXQT-UHFFFAOYSA-N	1	0	361.405	1.717	20	30		FDEDRO
CC[NH+](CC)CCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000272662457	878278497	/nfs/dbraw/zinc/27/84/97/878278497.db2.gz	NHPOCWTVPJMYPW-KRWDZBQOSA-N	1	0	357.458	1.695	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)COC)C[C@H]1C	ZINC001106820895	878282740	/nfs/dbraw/zinc/28/27/40/878282740.db2.gz	HTOSSCSFBWNLDI-KZNAEPCWSA-N	1	0	365.518	1.544	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(F)c[nH]2)C3)CC1	ZINC001004252601	878689670	/nfs/dbraw/zinc/68/96/70/878689670.db2.gz	XSGLHRVTMGOWPZ-NUJGCVRESA-N	1	0	372.444	1.361	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2cccc(N3CCOCC3)c2)CC1	ZINC000922606662	878765104	/nfs/dbraw/zinc/76/51/04/878765104.db2.gz	FZSGRFXKDZNWQY-UHFFFAOYSA-N	1	0	356.470	1.420	20	30		FDEDRO
N#Cc1ccc(N[C@H]2CCCN(C(=O)NCC[N@@H+]3CCCOCC3)C2)nc1	ZINC000922608593	878770565	/nfs/dbraw/zinc/77/05/65/878770565.db2.gz	WAPUERWDUXZENS-KRWDZBQOSA-N	1	0	372.473	1.261	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCCN2CCCC2=O)C1	ZINC001033085744	878816362	/nfs/dbraw/zinc/81/63/62/878816362.db2.gz	ASDTYPZFNYHWLX-KSZLIROESA-N	1	0	363.502	1.513	20	30		FDEDRO
CCc1nc(C#N)cc(N2CCC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)n1	ZINC001061466408	878923473	/nfs/dbraw/zinc/92/34/73/878923473.db2.gz	MZEOAXXFVHZJFJ-YESZJQIVSA-N	1	0	370.501	1.726	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@@H](CC)NC(=O)OC(C)(C)C)CC1	ZINC000922686456	878997652	/nfs/dbraw/zinc/99/76/52/878997652.db2.gz	JUHURBBVWHEWFG-CQSZACIVSA-N	1	0	352.479	1.687	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@@H]1O	ZINC001083832858	879242862	/nfs/dbraw/zinc/24/28/62/879242862.db2.gz	XZKIJFMXXYAMTM-AABGKKOBSA-N	1	0	370.497	1.482	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C)cc2=O)C[C@H]1C	ZINC001106831275	879354603	/nfs/dbraw/zinc/35/46/03/879354603.db2.gz	JVNKQFUWWVKXBY-ZWNOBZJWSA-N	1	0	368.275	1.890	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]2OC)C1	ZINC000946630634	879898457	/nfs/dbraw/zinc/89/84/57/879898457.db2.gz	NUEINOBPBJMJQH-IAGOWNOFSA-N	1	0	368.437	1.646	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCc4ccccc43)C[C@@H]2O)nn1	ZINC001083843393	879973032	/nfs/dbraw/zinc/97/30/32/879973032.db2.gz	FVDXBTUNGNQMRA-QRQLOZEOSA-N	1	0	367.453	1.317	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)C1	ZINC000993917360	880142982	/nfs/dbraw/zinc/14/29/82/880142982.db2.gz	DEUBFQDIDPDTBK-SQWLQELKSA-N	1	0	357.458	1.052	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1	ZINC000993960140	880176429	/nfs/dbraw/zinc/17/64/29/880176429.db2.gz	QFKFLNPNHFATHQ-KSZLIROESA-N	1	0	363.502	1.558	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)[C@H](OC)C1	ZINC001212424373	912550722	/nfs/dbraw/zinc/55/07/22/912550722.db2.gz	HPRIYNNRLBSVMU-UAFMIMERSA-N	1	0	374.481	1.925	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ncoc2C(C)C)C[C@H]1C	ZINC001106842706	880672503	/nfs/dbraw/zinc/67/25/03/880672503.db2.gz	YKFCWZNBXPKCCG-RBSFLKMASA-N	1	0	362.474	1.786	20	30		FDEDRO
C[NH+]1CCC(C(=O)N2CCO[C@@H]3CN(Cc4ccccc4C#N)C[C@@H]32)CC1	ZINC001083182637	912612847	/nfs/dbraw/zinc/61/28/47/912612847.db2.gz	OYZJADVCQPBPLZ-VQTJNVASSA-N	1	0	368.481	1.312	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)[C@]3(C)C=CCC3)C[C@H]2C)CC1	ZINC000994135696	880893639	/nfs/dbraw/zinc/89/36/39/880893639.db2.gz	JZQGOLXIPJLITM-SFGWALBWSA-N	1	0	371.525	1.899	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1	ZINC000994141434	880913601	/nfs/dbraw/zinc/91/36/01/880913601.db2.gz	VNKHLYCSYAEODK-BFYDXBDKSA-N	1	0	356.470	1.732	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C	ZINC001106844287	880917545	/nfs/dbraw/zinc/91/75/45/880917545.db2.gz	WASSGUCOGWSKBS-BRWVUGGUSA-N	1	0	356.532	1.852	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2cn(C3CCOCC3)nn2)C[C@H]1C	ZINC001106847623	881036479	/nfs/dbraw/zinc/03/64/79/881036479.db2.gz	YSIKEXAUHZMOLG-HZPDHXFCSA-N	1	0	361.490	1.894	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC[NH+](C)CC2)nc1	ZINC001004738790	881171616	/nfs/dbraw/zinc/17/16/16/881171616.db2.gz	BAUQDRLNWAZWCV-QRQLOZEOSA-N	1	0	366.465	1.266	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2(C(=O)N(C)C)CC2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106860520	881172611	/nfs/dbraw/zinc/17/26/11/881172611.db2.gz	CRZBBRJPNUKTQM-IEBWSBKVSA-N	1	0	367.493	1.591	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)NC1CCC2(CC1)CC[NH+](C)CC2	ZINC000915970177	881259427	/nfs/dbraw/zinc/25/94/27/881259427.db2.gz	MKUDWUFGSOPGDN-OAHLLOKOSA-N	1	0	356.536	1.957	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cnn(C)c2C(F)F)C[C@H]1C	ZINC001106862773	881299552	/nfs/dbraw/zinc/29/95/52/881299552.db2.gz	RHPDQNHRNMLKDR-CHWSQXEVSA-N	1	0	356.417	1.858	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCCC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC001005413113	883275897	/nfs/dbraw/zinc/27/58/97/883275897.db2.gz	VVWROXPYELEEJW-DJIMGWMZSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCCOCC)C[C@@H]1n1ccnn1	ZINC001128784670	883602189	/nfs/dbraw/zinc/60/21/89/883602189.db2.gz	DRUIJKBOZHUSJD-BBWFWOEESA-N	1	0	365.478	1.027	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(S(=O)(=O)Cc2csc(C#N)c2)CCO1	ZINC000917753383	883745633	/nfs/dbraw/zinc/74/56/33/883745633.db2.gz	FRXYRGGSQJTOTJ-AWEZNQCLSA-N	1	0	357.501	1.492	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](CC2CCC(C)(C)CC2)C[C@@H]1n1ccnn1	ZINC001128829147	883751498	/nfs/dbraw/zinc/75/14/98/883751498.db2.gz	CFNWICWQZSGECY-UAGQMJEPSA-N	1	0	358.490	1.996	20	30		FDEDRO
C#CCN(C(=O)NCCNC(=O)c1ccc(C)cc1)C1CC[NH+](C)CC1	ZINC000917859153	883872732	/nfs/dbraw/zinc/87/27/32/883872732.db2.gz	OLHWUJRJKFNZQT-UHFFFAOYSA-N	1	0	356.470	1.464	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCOCC=C)[C@@H](n2ccnn2)C1	ZINC001128869781	883880706	/nfs/dbraw/zinc/88/07/06/883880706.db2.gz	LRJNTUWDLYPESC-KURKYZTESA-N	1	0	361.490	1.957	20	30		FDEDRO
CC/C=C/CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](n2ccnn2)C1	ZINC001128903227	884020910	/nfs/dbraw/zinc/02/09/10/884020910.db2.gz	KYWJQCZPSHUTQC-YRLOJYSSSA-N	1	0	353.430	1.489	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCCCCF)C[C@@H]2n2ccnn2)c[nH]1	ZINC001128903407	884022631	/nfs/dbraw/zinc/02/26/31/884022631.db2.gz	OXEDGMMPOHQQSB-CVEARBPZSA-N	1	0	359.409	1.273	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(F)cn2)[C@@H](n2ccnn2)C1	ZINC001128914523	884104437	/nfs/dbraw/zinc/10/44/37/884104437.db2.gz	ZMRARDQDPDPGSY-XYPHTWIQSA-N	1	0	358.421	1.822	20	30		FDEDRO
C[C@@H]1CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000498095362	884155879	/nfs/dbraw/zinc/15/58/79/884155879.db2.gz	QOECJZGZGOUVCN-CRAIPNDOSA-N	1	0	356.470	1.753	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1n1ccnn1	ZINC001128938987	884191124	/nfs/dbraw/zinc/19/11/24/884191124.db2.gz	FLUGGZDUDQOAOL-MSOLQXFVSA-N	1	0	359.474	1.240	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccncc2C)[C@@H](n2ccnn2)C1	ZINC001128966596	884477075	/nfs/dbraw/zinc/47/70/75/884477075.db2.gz	DMVBQQRMLRSAFC-NXHRZFHOSA-N	1	0	354.458	1.992	20	30		FDEDRO
CCc1ccccc1C[N@@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@@H](n2ccnn2)C1	ZINC001128966565	884477251	/nfs/dbraw/zinc/47/72/51/884477251.db2.gz	CBUWOZVINCXOHW-UXHICEINSA-N	1	0	363.465	1.796	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(CC[NH2+][C@@H]2CCN(C)C2=O)CC1	ZINC001034570947	884509335	/nfs/dbraw/zinc/50/93/35/884509335.db2.gz	NABNGBSIEYUXAA-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC/C=C/CCC)C[C@@H]1n1ccnn1	ZINC001128979849	884564967	/nfs/dbraw/zinc/56/49/67/884564967.db2.gz	CBYIJAPZOFKUTJ-WFJGZTCRSA-N	1	0	359.474	1.404	20	30		FDEDRO
CC(C)(C)C#CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1n1ccnn1	ZINC001128980072	884566995	/nfs/dbraw/zinc/56/69/95/884566995.db2.gz	MDZCTHOPZMMHIR-ZACQAIPSSA-N	1	0	359.474	1.096	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CNc1nc(C)nc(-n2cccn2)c1C	ZINC001108132234	884586798	/nfs/dbraw/zinc/58/67/98/884586798.db2.gz	BDJICCWHNFMZTF-WQVCFCJDSA-N	1	0	370.457	1.787	20	30		FDEDRO
C=CCCOCC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001078971805	884648249	/nfs/dbraw/zinc/64/82/49/884648249.db2.gz	HZFIDTZSXVSRLN-KZNAEPCWSA-N	1	0	365.518	1.759	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC#CCOC)C2)nn1	ZINC001112543408	884768886	/nfs/dbraw/zinc/76/88/86/884768886.db2.gz	XYWJDIHUPLFHQM-PXNSSMCTSA-N	1	0	371.485	1.336	20	30		FDEDRO
CN1CCN(C(=O)CC[NH2+]Cc2cc(C#N)ccc2Br)CC1	ZINC000921684126	912873762	/nfs/dbraw/zinc/87/37/62/912873762.db2.gz	MAINXITXVXHBSV-UHFFFAOYSA-N	1	0	365.275	1.574	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCOCC(F)F)[C@@H](n2ccnn2)C1	ZINC001128993707	884892946	/nfs/dbraw/zinc/89/29/46/884892946.db2.gz	NTOZORXNQZKRMI-KGLIPLIRSA-N	1	0	357.405	1.258	20	30		FDEDRO
C#CC[C@@H](CO)NC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1	ZINC000918756103	884913032	/nfs/dbraw/zinc/91/30/32/884913032.db2.gz	DPFHPKJQTFLGDM-HOTGVXAUSA-N	1	0	369.387	1.963	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)N2CCCCC2)CC1	ZINC001034736865	884942439	/nfs/dbraw/zinc/94/24/39/884942439.db2.gz	MPAZIUGCPWXMHG-TVFCKZIOSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@]23C[C@H]2COC3)[C@@H](n2ccnn2)C1	ZINC001129004686	884998228	/nfs/dbraw/zinc/99/82/28/884998228.db2.gz	VLAFOEFKPPFGJE-ZMMAXQRCSA-N	1	0	359.474	1.403	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCc1ccc(C[NH2+][C@H]2CCN(C)C2=O)cc1	ZINC001034818989	885176218	/nfs/dbraw/zinc/17/62/18/885176218.db2.gz	UJEALJCWVIMEDJ-QYZOEREBSA-N	1	0	371.481	1.604	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cnc3[nH]cnc3c2)[C@@H](n2ccnn2)C1	ZINC001129032390	885364534	/nfs/dbraw/zinc/36/45/34/885364534.db2.gz	OUWJVJYBWVQJJL-CVEARBPZSA-N	1	0	366.429	1.171	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001034961611	885423616	/nfs/dbraw/zinc/42/36/16/885423616.db2.gz	KKRSOBAHEMGRMU-VHSSKADRSA-N	1	0	361.417	1.582	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C(N)=O)cc1	ZINC001035075527	885573813	/nfs/dbraw/zinc/57/38/13/885573813.db2.gz	MHWBVICTDGJJBJ-QYZOEREBSA-N	1	0	371.481	1.847	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnns1	ZINC001035072350	885599015	/nfs/dbraw/zinc/59/90/15/885599015.db2.gz	WDSCPHJNIDPVHB-KBMXLJTQSA-N	1	0	350.488	1.990	20	30		FDEDRO
C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC(C)(C)C1	ZINC001089491867	885646378	/nfs/dbraw/zinc/64/63/78/885646378.db2.gz	XAVLKEPSLFQDDT-HZSPNIEDSA-N	1	0	357.882	1.379	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2coc(OCC)n2)[C@@H](n2ccnn2)C1	ZINC001129093344	885720248	/nfs/dbraw/zinc/72/02/48/885720248.db2.gz	FRKZABWCWZEDKQ-HIFRSBDPSA-N	1	0	360.418	1.286	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cccc3nccn32)[C@@H](n2ccnn2)C1	ZINC001129098044	885728133	/nfs/dbraw/zinc/72/81/33/885728133.db2.gz	BYNZBPDIHVILHI-WBVHZDCISA-N	1	0	365.441	1.547	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N(CC)CC)[C@H](C)C2)cn1	ZINC001106894630	885761511	/nfs/dbraw/zinc/76/15/11/885761511.db2.gz	PTZCNAJALUKINW-NVXWUHKLSA-N	1	0	356.470	1.229	20	30		FDEDRO
C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCO[C@H]1c1cnn(C)c1)CC2	ZINC001035194733	885761924	/nfs/dbraw/zinc/76/19/24/885761924.db2.gz	AIPSFZGMHBYYPJ-MOPGFXCFSA-N	1	0	370.497	1.836	20	30		FDEDRO
C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCO[C@H]1c1ccnn1CC)CC2	ZINC001035195775	885763711	/nfs/dbraw/zinc/76/37/11/885763711.db2.gz	JCKSKHNSDFNNFS-IEBWSBKVSA-N	1	0	370.497	1.928	20	30		FDEDRO
C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@H]1C(=O)N(C)C)CC2	ZINC001035226690	885775641	/nfs/dbraw/zinc/77/56/41/885775641.db2.gz	KESVBPMMXMXWRK-CABCVRRESA-N	1	0	353.894	1.778	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CCc2cccc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129133774	885830078	/nfs/dbraw/zinc/83/00/78/885830078.db2.gz	KVIGNNQYKCSNOR-MOPGFXCFSA-N	1	0	351.454	1.584	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1n1ccnn1	ZINC001129147643	885876040	/nfs/dbraw/zinc/87/60/40/885876040.db2.gz	IZKQNYACBZWUPH-SJORKVTESA-N	1	0	361.490	1.649	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CC[C@H](c3ccccc3)O2)C1=O	ZINC001127511064	885943495	/nfs/dbraw/zinc/94/34/95/885943495.db2.gz	MWKGVFCBJWYHAK-KSZLIROESA-N	1	0	357.454	1.399	20	30		FDEDRO
C=CCCC1(C(=O)NC[C@@H]2COCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001061867266	885952969	/nfs/dbraw/zinc/95/29/69/885952969.db2.gz	FZWORTHGFSICQZ-BRWVUGGUSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1)C1CC[NH+](C)CC1	ZINC000919650512	885978570	/nfs/dbraw/zinc/97/85/70/885978570.db2.gz	ANMSYXKUBJCEBV-HNNXBMFYSA-N	1	0	358.490	1.455	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCn2c(CC)nc3ccccc32)CC1	ZINC000919773882	886177114	/nfs/dbraw/zinc/17/71/14/886177114.db2.gz	FTFHHNINSDVYDO-UHFFFAOYSA-N	1	0	353.470	1.996	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(C[NH+](CCn3cncn3)C2)CC1	ZINC001035707047	886339739	/nfs/dbraw/zinc/33/97/39/886339739.db2.gz	BSRFJMOOTRWHLZ-SJORKVTESA-N	1	0	359.474	1.184	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+](CCO)C2CCN(C(=O)[C@@H]3C[C@H]3CC)CC2)C1=O	ZINC001089572582	886479295	/nfs/dbraw/zinc/47/92/95/886479295.db2.gz	UFAODXBEJXYGCX-KBAYOESNSA-N	1	0	363.502	1.105	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@H]2O)C1	ZINC001077554110	886709730	/nfs/dbraw/zinc/70/97/30/886709730.db2.gz	YOELXNUDNJSMCP-XUVXKRRUSA-N	1	0	370.497	1.342	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+](CCC[C@@H](C)O)C[C@@H]2n2ccnn2)CCC1	ZINC001129243266	886808128	/nfs/dbraw/zinc/80/81/28/886808128.db2.gz	LKEGHAJJXQNZRF-ZACQAIPSSA-N	1	0	361.490	1.527	20	30		FDEDRO
CC(=O)N[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1)C(C)C	ZINC001106898906	886889172	/nfs/dbraw/zinc/88/91/72/886889172.db2.gz	SWOZUHWWRWLTAK-CDHQVMDDSA-N	1	0	370.497	1.903	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CN(C)c3nccnc3C#N)C2)CC[N@@H+]1C	ZINC001062185079	886953585	/nfs/dbraw/zinc/95/35/85/886953585.db2.gz	GHCAAXRZVFWSLO-HLLBOEOZSA-N	1	0	356.474	1.363	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)CC(F)(F)C(F)F)[C@@H](n2ccnn2)C1	ZINC001129261763	886970441	/nfs/dbraw/zinc/97/04/41/886970441.db2.gz	JFEHOFPUZDCAMY-NEPJUHHUSA-N	1	0	363.359	1.876	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C	ZINC001062240249	886997622	/nfs/dbraw/zinc/99/76/22/886997622.db2.gz	NLSPKOMCQNKYCV-KURKYZTESA-N	1	0	365.518	1.805	20	30		FDEDRO
Cn1nc(NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)cc1C1CC1	ZINC000329542512	887232881	/nfs/dbraw/zinc/23/28/81/887232881.db2.gz	XVBBPNTUIGYVQM-UHFFFAOYSA-N	1	0	360.506	2.182	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(OC)o1)C2	ZINC000999695516	913148990	/nfs/dbraw/zinc/14/89/90/913148990.db2.gz	WTJZZYNKNQCJRJ-UGUYLWEFSA-N	1	0	371.437	1.248	20	30		FDEDRO
Cc1c(C(=O)Nc2ccc(C#N)cn2)nnn1-c1cccc2c1CC[N@@H+](C)C2	ZINC000362684814	887803292	/nfs/dbraw/zinc/80/32/92/887803292.db2.gz	BFUKTZNXGWPKBS-UHFFFAOYSA-N	1	0	373.420	2.083	20	30		FDEDRO
CCOCCOCCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000923092238	888005318	/nfs/dbraw/zinc/00/53/18/888005318.db2.gz	PLMSCCDFDMLVNX-UHFFFAOYSA-N	1	0	374.485	1.875	20	30		FDEDRO
C[C@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1cn(C)nn1	ZINC000923093065	888007348	/nfs/dbraw/zinc/00/73/48/888007348.db2.gz	XTALECIDWOAGRA-AWEZNQCLSA-N	1	0	367.457	1.712	20	30		FDEDRO
C[NH+](C)CCCS(=O)(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1	ZINC000921454001	888019785	/nfs/dbraw/zinc/01/97/85/888019785.db2.gz	ZRSRPKRYIYBOQH-HNNXBMFYSA-N	1	0	351.476	1.111	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@H]1OC	ZINC001212257404	888068811	/nfs/dbraw/zinc/06/88/11/888068811.db2.gz	AVZAHKJLDVMBPD-CDHQVMDDSA-N	1	0	356.466	1.529	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCCc2cccc(F)c2)C[C@H]1OC	ZINC001212258262	888078183	/nfs/dbraw/zinc/07/81/83/888078183.db2.gz	PNMYYQMNDWQJMR-ATZDWAIDSA-N	1	0	362.445	1.612	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1CN([C@H](C)c2cc(F)ccc2F)C[C@H]1OC	ZINC001212258755	888084247	/nfs/dbraw/zinc/08/42/47/888084247.db2.gz	ZSTOQMXYIVAGGC-FSPWUOQZSA-N	1	0	366.408	1.881	20	30		FDEDRO
C#CCCN1CCN(C(=O)c2ccc3c(c2)C(=O)N(CCCC)C3=O)CC1	ZINC000064443136	888118870	/nfs/dbraw/zinc/11/88/70/888118870.db2.gz	ZQQMNUPLMHCJNC-UHFFFAOYSA-N	1	0	367.449	1.864	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3nc(C)ccc3o2)C[C@H]1C	ZINC001106903447	888299387	/nfs/dbraw/zinc/29/93/87/888299387.db2.gz	UXIGCLCBWNJXNC-UKRRQHHQSA-N	1	0	370.453	1.736	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)NCCc1ccc(C#N)cc1)C2	ZINC000923186471	888306813	/nfs/dbraw/zinc/30/68/13/888306813.db2.gz	SXHWPJGRSLVHPE-WERVVEIQSA-N	1	0	370.497	1.880	20	30		FDEDRO
Cc1cc(NC(=O)NCC2=CC[N@H+](C)CC2)nn1-c1cccc(C#N)c1	ZINC000372378963	888359007	/nfs/dbraw/zinc/35/90/07/888359007.db2.gz	USUKGFNNKRCLKO-UHFFFAOYSA-N	1	0	350.426	2.436	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](CCO[C@H]2CC2(F)F)CC1	ZINC001006021281	888758483	/nfs/dbraw/zinc/75/84/83/888758483.db2.gz	CXGKXCYKLWDAEW-PMPSAXMXSA-N	1	0	358.429	1.925	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000938608824	888918624	/nfs/dbraw/zinc/91/86/24/888918624.db2.gz	CDZHNKVMHOYOKC-HLLBOEOZSA-N	1	0	357.458	1.290	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1	ZINC000999791688	913308239	/nfs/dbraw/zinc/30/82/39/913308239.db2.gz	MJWASZPOVWDOEL-LWYYNNOASA-N	1	0	369.465	1.690	20	30		FDEDRO
CNC(=O)C1(C(=O)N2C[C@@H](C[NH2+]Cc3cccc(C#N)c3)[C@H](C)C2)CCC1	ZINC001106908057	889243611	/nfs/dbraw/zinc/24/36/11/889243611.db2.gz	NUHKUNSSQGUPLO-CRAIPNDOSA-N	1	0	368.481	1.659	20	30		FDEDRO
C#CCN(C(=O)NC[C@H]1c2ccccc2C(=O)N1C)C1CC[NH+](C)CC1	ZINC000923442373	889284514	/nfs/dbraw/zinc/28/45/14/889284514.db2.gz	PDDRUUKIDYDWFL-SFHVURJKSA-N	1	0	354.454	1.552	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccnn2CC(F)F)[C@H](OC)C1	ZINC001212279627	889286410	/nfs/dbraw/zinc/28/64/10/889286410.db2.gz	QGVNVUIQOZKKDB-GZBFAFLISA-N	1	0	356.417	1.932	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1	ZINC000938781487	889297329	/nfs/dbraw/zinc/29/73/29/889297329.db2.gz	BASCGALQENWYQB-KURKYZTESA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CC[NH+]([C@@H](CC)C(N)=O)CC1	ZINC001006109393	889463461	/nfs/dbraw/zinc/46/34/61/889463461.db2.gz	RYZPNQDHWZZDLB-ULQDDVLXSA-N	1	0	351.491	1.544	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC[NH+]([C@H](C)C(=O)N(C)C)CC1	ZINC001006123991	889578185	/nfs/dbraw/zinc/57/81/85/889578185.db2.gz	QZXNGQJNYQLOBK-PVAVHDDUSA-N	1	0	351.491	1.367	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)N[C@H](C)CCCCC	ZINC001127608815	889727021	/nfs/dbraw/zinc/72/70/21/889727021.db2.gz	IGSAFMGBXTXAAT-ZACQAIPSSA-N	1	0	353.507	1.758	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1O	ZINC001084091974	913384072	/nfs/dbraw/zinc/38/40/72/913384072.db2.gz	ZKMNFPSLQFUAPK-QYZOEREBSA-N	1	0	356.470	1.094	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)c2ccsc2C#N)C1	ZINC000923566159	889866777	/nfs/dbraw/zinc/86/67/77/889866777.db2.gz	NRAPNRQFKYFIJA-CYBMUJFWSA-N	1	0	365.455	1.250	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)C1	ZINC000923584508	890012260	/nfs/dbraw/zinc/01/22/60/890012260.db2.gz	WVADRCNEKQIZCO-DOTOQJQBSA-N	1	0	359.495	1.495	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)c2cc(C)[nH]c2C)[C@@H](n2ccnn2)C1	ZINC001129284488	890037092	/nfs/dbraw/zinc/03/70/92/890037092.db2.gz	QIJCLHVXJCOOCB-SJORKVTESA-N	1	0	358.446	1.081	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@@H]1n1ccnn1	ZINC001129288978	890066165	/nfs/dbraw/zinc/06/61/65/890066165.db2.gz	NJEANRUOXDDVAV-BBWFWOEESA-N	1	0	361.490	1.791	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)CCC[NH+](C)C)CC1	ZINC001079051678	890132484	/nfs/dbraw/zinc/13/24/84/890132484.db2.gz	BJNBLENQADXOQQ-KSZLIROESA-N	1	0	365.518	1.759	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1	ZINC000249181034	890303291	/nfs/dbraw/zinc/30/32/91/890303291.db2.gz	NGCYWRHCJLVIQC-WMLDXEAASA-N	1	0	372.469	1.340	20	30		FDEDRO
CCc1nc(C#N)cc(N2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001063240772	890376515	/nfs/dbraw/zinc/37/65/15/890376515.db2.gz	FKAXLMCOFKWJQI-BFYDXBDKSA-N	1	0	370.501	1.726	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)CC[NH+](C)C)CC1	ZINC001079069021	890493367	/nfs/dbraw/zinc/49/33/67/890493367.db2.gz	WXWOHCFCPLEZAI-KSZLIROESA-N	1	0	365.518	1.759	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1(CNC(=O)C[N@@H+](C)C2CCC2)CCC1	ZINC001063402830	890505097	/nfs/dbraw/zinc/50/50/97/890505097.db2.gz	ZVMKKPSOAPTFDT-SJORKVTESA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)C2CC[NH+](C)CC2)C1	ZINC001006180409	890519092	/nfs/dbraw/zinc/51/90/92/890519092.db2.gz	OQTWUSSJJAJVEY-OLMNPRSZSA-N	1	0	363.502	1.273	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]c3ccccc23)C[C@H]1C	ZINC001106914968	890931741	/nfs/dbraw/zinc/93/17/41/890931741.db2.gz	MVVLFORUVWVLNG-NVXWUHKLSA-N	1	0	368.481	1.697	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)CC1	ZINC001061033545	891593072	/nfs/dbraw/zinc/59/30/72/891593072.db2.gz	VAAFTZJXQKAREH-SJORKVTESA-N	1	0	363.502	1.369	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCCCO2)C3)CC1	ZINC001002051227	891822893	/nfs/dbraw/zinc/82/28/93/891822893.db2.gz	CLQJNEBCOWTXSM-YRXWBPOGSA-N	1	0	373.497	1.149	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1	ZINC001002194949	892204463	/nfs/dbraw/zinc/20/44/63/892204463.db2.gz	JLGODDPFRSJRFR-BBWFWOEESA-N	1	0	351.491	1.128	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1	ZINC000940311606	892260357	/nfs/dbraw/zinc/26/03/57/892260357.db2.gz	WNLUZEHGSKKJSI-CZUORRHYSA-N	1	0	357.458	1.195	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ncnn2CCC)CC1	ZINC000940339414	892290848	/nfs/dbraw/zinc/29/08/48/892290848.db2.gz	FQSZQXBAJBBVDN-CVEARBPZSA-N	1	0	361.490	1.750	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(N(C)C)cc2)C[C@H]1C	ZINC001106918056	892354683	/nfs/dbraw/zinc/35/46/83/892354683.db2.gz	CDNYFNGTIIRNMQ-JFIYKMOQSA-N	1	0	370.497	1.188	20	30		FDEDRO
C[NH+]1CCN(C(C)(C)CNC(=O)Nc2nc(Cl)c(C#N)s2)CC1	ZINC000888407088	892514566	/nfs/dbraw/zinc/51/45/66/892514566.db2.gz	RPINBGAVJXNCTF-UHFFFAOYSA-N	1	0	356.883	1.816	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC2)[C@H](C)C1	ZINC001106920851	892559873	/nfs/dbraw/zinc/55/98/73/892559873.db2.gz	LNUXARWQMRDDFP-VQIMIIECSA-N	1	0	353.466	1.127	20	30		FDEDRO
N#Cc1ccc(F)c(CS(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)c1	ZINC000921907221	892738746	/nfs/dbraw/zinc/73/87/46/892738746.db2.gz	DVFNUVJKZGNITJ-INIZCTEOSA-N	1	0	367.446	1.370	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2sc(COC)nc2C)C[C@H]1C	ZINC001106927834	892982328	/nfs/dbraw/zinc/98/23/28/892982328.db2.gz	ILDQVHVGWZQFMU-UKRRQHHQSA-N	1	0	365.499	1.545	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1	ZINC000672311390	893005759	/nfs/dbraw/zinc/00/57/59/893005759.db2.gz	FVHUZYWPAZTLJR-GOSISDBHSA-N	1	0	371.481	1.810	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1	ZINC001002483528	893019975	/nfs/dbraw/zinc/01/99/75/893019975.db2.gz	FQENIXBMQOAIGD-SQNIBIBYSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C(C)(C)C1	ZINC000940842701	893331046	/nfs/dbraw/zinc/33/10/46/893331046.db2.gz	MUVWLFYXOXYWAS-XQQFMLRXSA-N	1	0	350.381	1.735	20	30		FDEDRO
C=CCn1cccc1C(=O)NCC1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001002616820	893386534	/nfs/dbraw/zinc/38/65/34/893386534.db2.gz	XJCSMCIZUMTYPS-DLBZAZTESA-N	1	0	358.486	1.593	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(C#N)[nH]1	ZINC001002634836	893428534	/nfs/dbraw/zinc/42/85/34/893428534.db2.gz	UWFQUIUBTOHWRX-BGTYHANMSA-N	1	0	369.469	1.621	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2cccc(OC)c2)C[C@H]1C	ZINC001106944048	893511594	/nfs/dbraw/zinc/51/15/94/893511594.db2.gz	PAXOULPEKCVKTP-NVXWUHKLSA-N	1	0	359.470	1.224	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(Cc3cc(F)ccc3C#N)C[C@H]21	ZINC001084231469	913776079	/nfs/dbraw/zinc/77/60/79/913776079.db2.gz	BENRXTCXFGZCMG-AYOQOUSVSA-N	1	0	356.445	1.824	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)CC1	ZINC000940962188	893534203	/nfs/dbraw/zinc/53/42/03/893534203.db2.gz	LRAJHNWHTFHDJT-PIKOESSRSA-N	1	0	369.509	1.651	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@]2(C)CCNC(=O)C2)[C@H](OC)C1	ZINC001212455315	893569882	/nfs/dbraw/zinc/56/98/82/893569882.db2.gz	OEDDPGSPPOKONS-MDZRGWNJSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CNC(=O)c2cccs2)C[C@H]1C	ZINC001106948467	893907570	/nfs/dbraw/zinc/90/75/70/893907570.db2.gz	JGTIFHKCBSXQCY-DGCLKSJQSA-N	1	0	355.891	1.915	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)c2nonc21	ZINC000922022918	894401660	/nfs/dbraw/zinc/40/16/60/894401660.db2.gz	QNKYLSAJSKVVNZ-UHFFFAOYSA-N	1	0	368.846	1.594	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc2c(c1)CCCC2=O	ZINC000922022007	894481765	/nfs/dbraw/zinc/48/17/65/894481765.db2.gz	DRFCOTXMYIRYBJ-UHFFFAOYSA-N	1	0	360.479	1.924	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000922025310	894533139	/nfs/dbraw/zinc/53/31/39/894533139.db2.gz	XKUSWCLDEAUHNZ-UHFFFAOYSA-N	1	0	351.859	1.930	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-]	ZINC000922026427	894541665	/nfs/dbraw/zinc/54/16/65/894541665.db2.gz	OOTAAQMLRCRYBW-UHFFFAOYSA-N	1	0	367.427	1.322	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000922024350	894561590	/nfs/dbraw/zinc/56/15/90/894561590.db2.gz	PPJSAUJXEKOQMF-UHFFFAOYSA-N	1	0	371.846	1.966	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1	ZINC000995152342	895042466	/nfs/dbraw/zinc/04/24/66/895042466.db2.gz	PMXTYKHNZPKNRG-KSZLIROESA-N	1	0	363.502	1.415	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C2C[NH+](CCC3CCCC3)C2)CC1	ZINC000941574664	895293194	/nfs/dbraw/zinc/29/31/94/895293194.db2.gz	NXSZKVGMBZPZMK-UXHICEINSA-N	1	0	361.530	1.986	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCN(C2C[NH+]([C@@H](C)COC)C2)CC1	ZINC000941599629	895353336	/nfs/dbraw/zinc/35/33/36/895353336.db2.gz	FICZKUHYKAJJBE-WDSOQIARSA-N	1	0	365.518	1.221	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCN(C2C[NH+](CCC3CC3)C2)CC1	ZINC000941599951	895354742	/nfs/dbraw/zinc/35/47/42/895354742.db2.gz	NTIZKPRQNHPROF-PMACEKPBSA-N	1	0	361.530	1.986	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C)c(CC)s2)C[C@H]1C	ZINC001106959949	895458262	/nfs/dbraw/zinc/45/82/62/895458262.db2.gz	YEZSCJJYADNRSE-HUUCEWRRSA-N	1	0	361.511	1.666	20	30		FDEDRO
CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C	ZINC000941786288	895692187	/nfs/dbraw/zinc/69/21/87/895692187.db2.gz	RQZPOVCGGUQCJY-FGTMMUONSA-N	1	0	361.486	1.005	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@H](OC)C2)C1	ZINC000941918364	895996631	/nfs/dbraw/zinc/99/66/31/895996631.db2.gz	KCUGPUBVWXMKCH-GVDBMIGSSA-N	1	0	361.486	1.027	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(Cc2ccc(OC)c(C#N)c2)C1	ZINC001031987447	896160621	/nfs/dbraw/zinc/16/06/21/896160621.db2.gz	ORJNKOOVIWUPMB-MSOLQXFVSA-N	1	0	355.438	1.706	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1	ZINC000942248370	896738843	/nfs/dbraw/zinc/73/88/43/896738843.db2.gz	KAMSHEWMTNSSMC-JCECYMMASA-N	1	0	363.502	1.415	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@]23CCC[C@H]2OCC3)CC2(CCOCC2)C1	ZINC001089946863	896789309	/nfs/dbraw/zinc/78/93/09/896789309.db2.gz	POAJKPRVDMSKFV-UEXGIBASSA-N	1	0	360.498	1.956	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(COC)cc2)C[C@H]1C	ZINC001106968181	896805694	/nfs/dbraw/zinc/80/56/94/896805694.db2.gz	JESHIAIPXISFJY-GPMSIDNRSA-N	1	0	371.481	1.269	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)CSCC#N)C3)CC2)CC[N@@H+]1C	ZINC001060908676	896834468	/nfs/dbraw/zinc/83/44/68/896834468.db2.gz	DEPKQLWNWFXCLU-HUUCEWRRSA-N	1	0	364.515	1.034	20	30		FDEDRO
CO[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C	ZINC001212428101	896900193	/nfs/dbraw/zinc/90/01/93/896900193.db2.gz	OFRHVXSLFHBZQZ-PWRODBHTSA-N	1	0	369.509	1.728	20	30		FDEDRO
C#CC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@H]3OCC[C@H]3C(C)C)C2)n1	ZINC001128107316	896963575	/nfs/dbraw/zinc/96/35/75/896963575.db2.gz	PRQLWMPWXNBLIV-BJLQDIEVSA-N	1	0	370.497	1.560	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](NC(=O)CCNC(=O)c2ccsc2)[C@H](OC)C1	ZINC001212430145	896998584	/nfs/dbraw/zinc/99/85/84/896998584.db2.gz	BRZVOVGEVMEELO-HUUCEWRRSA-N	1	0	351.472	1.260	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC001077969142	897217350	/nfs/dbraw/zinc/21/73/50/897217350.db2.gz	AEWIEFXOWCRFIR-VIQHNZTISA-N	1	0	351.491	1.319	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H](C)Cn2ncc3ccccc3c2=O)CC1	ZINC000921706887	897233656	/nfs/dbraw/zinc/23/36/56/897233656.db2.gz	KDOYNVUBALTSGL-HNNXBMFYSA-N	1	0	367.453	1.182	20	30		FDEDRO
C#CC[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)CC2(CCOCC2)C1	ZINC001089957134	897244157	/nfs/dbraw/zinc/24/41/57/897244157.db2.gz	JENCZFRHWXRMHN-CEXWTWQISA-N	1	0	353.466	1.806	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1	ZINC000942558729	897332746	/nfs/dbraw/zinc/33/27/46/897332746.db2.gz	ORFURGHDQVJWLJ-SJORKVTESA-N	1	0	363.502	1.370	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(Cc2cccnc2)C[C@@H]2CCN(CC#N)C2)CC[N@@H+]1C	ZINC000995267933	897652585	/nfs/dbraw/zinc/65/25/85/897652585.db2.gz	QQKAEMSKCRFMBM-HSALFYBXSA-N	1	0	369.513	1.986	20	30		FDEDRO
CC[C@@H](C(=O)N1CC[C@@]2(CNC(=O)c3ccc(C#N)[nH]3)CCC[C@@H]12)[NH+](C)C	ZINC000995271616	897678461	/nfs/dbraw/zinc/67/84/61/897678461.db2.gz	QQFBIFLZGROMEP-SQGPQFPESA-N	1	0	371.485	1.728	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1	ZINC000995274980	897713505	/nfs/dbraw/zinc/71/35/05/897713505.db2.gz	RGGZGWPSCLWCSU-OTWHNJEPSA-N	1	0	368.481	1.090	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCCC2=CCN(c3ccc(C#N)nn3)CC2)CC[N@@H+]1C	ZINC001089869889	897810080	/nfs/dbraw/zinc/81/00/80/897810080.db2.gz	AQFKGDRQGAWGBX-RHSMWYFYSA-N	1	0	354.458	1.331	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CN2CCc3ccccc32)C[C@H]1C	ZINC001106995660	898339961	/nfs/dbraw/zinc/33/99/61/898339961.db2.gz	CBSFJKCYADJKIL-IEBWSBKVSA-N	1	0	357.498	1.936	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2nc(C)cs2)C1	ZINC001078472096	898799947	/nfs/dbraw/zinc/79/99/47/898799947.db2.gz	NQSJZJDGPVKMAB-OAGGEKHMSA-N	1	0	365.499	1.750	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cncn2C)C1	ZINC001078486650	898844300	/nfs/dbraw/zinc/84/43/00/898844300.db2.gz	ZZDQWIQBZGGIEU-SQNIBIBYSA-N	1	0	362.474	1.108	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C	ZINC001078537138	898887831	/nfs/dbraw/zinc/88/78/31/898887831.db2.gz	MPBYBWJAMNTOOQ-VHSSKADRSA-N	1	0	370.453	1.858	20	30		FDEDRO
C=C(C)C[N@H+]1CC=C(CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1	ZINC001001145465	898889743	/nfs/dbraw/zinc/88/97/43/898889743.db2.gz	SBVVQLNTRIDBEC-ZWKOTPCHSA-N	1	0	361.486	1.481	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC000943517921	898946794	/nfs/dbraw/zinc/94/67/94/898946794.db2.gz	GSXJDDXJWKAIEO-AYOQOUSVSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1	ZINC000943601096	899076234	/nfs/dbraw/zinc/07/62/34/899076234.db2.gz	KDOWAYOEELIYNV-RRFJBIMHSA-N	1	0	371.909	1.449	20	30		FDEDRO
C#CCCCC(=O)N1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1	ZINC001061022269	899287640	/nfs/dbraw/zinc/28/76/40/899287640.db2.gz	IDINBPZVGFVUED-ZWKOTPCHSA-N	1	0	359.514	1.971	20	30		FDEDRO
C#CCC1(C(=O)N2CCC3(CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C3)CC2)CCC1	ZINC001061022617	899293024	/nfs/dbraw/zinc/29/30/24/899293024.db2.gz	QKERJZKHEVCLSE-QZTJIDSGSA-N	1	0	371.525	1.971	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C[C@H]1C	ZINC001107014764	899544499	/nfs/dbraw/zinc/54/44/99/899544499.db2.gz	CLDKPDXODXVCRI-IDCNUPLLSA-N	1	0	353.507	1.424	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C23CCC(CC2)CC3)C[C@H]1C	ZINC001107014459	899544767	/nfs/dbraw/zinc/54/47/67/899544767.db2.gz	UDBJDDQFQIWEGA-UHBAUZOWSA-N	1	0	359.514	1.779	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C)C(=O)N(C)C	ZINC001107017047	899553377	/nfs/dbraw/zinc/55/33/77/899553377.db2.gz	MWJYKKPNQOBFQW-ZHALLVOQSA-N	1	0	355.482	1.589	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3cccnc3C)C[C@H]21	ZINC001084417726	914374475	/nfs/dbraw/zinc/37/44/75/914374475.db2.gz	AXFFGKHRIXGRFN-HSALFYBXSA-N	1	0	352.482	1.520	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3cnccc3C)C[C@H]21	ZINC001084418033	914380521	/nfs/dbraw/zinc/38/05/21/914380521.db2.gz	ROEVUBRQUKGWCQ-YZGWKJHDSA-N	1	0	352.482	1.520	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cn2c(C)c(C)sc2=O)C[C@H]1C	ZINC001107035857	899994921	/nfs/dbraw/zinc/99/49/21/899994921.db2.gz	BJNBYUUYPHCYAF-CZUORRHYSA-N	1	0	367.515	1.413	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)c2cccc(OC)c2)C[C@H]1C	ZINC001107040622	900043719	/nfs/dbraw/zinc/04/37/19/900043719.db2.gz	JRFZCTFKMCANLB-SOLBZPMBSA-N	1	0	371.481	1.232	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC(C2CC2)C2CC2)C[C@H]1C	ZINC001107042211	900054875	/nfs/dbraw/zinc/05/48/75/900054875.db2.gz	AMIOGDFHQFDXIU-IIDMSEBBSA-N	1	0	359.514	1.635	20	30		FDEDRO
CCCC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)C(C)C	ZINC001107048561	900133141	/nfs/dbraw/zinc/13/31/41/900133141.db2.gz	YZDISWNTSQSTAY-BRWVUGGUSA-N	1	0	350.507	1.773	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@](C)(NC(C)=O)C(C)C)C[C@H]1C	ZINC001107056103	900185307	/nfs/dbraw/zinc/18/53/07/900185307.db2.gz	QJKNECLDEHGWBB-SUMDDJOVSA-N	1	0	353.507	1.424	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCCCC2)[C@H](C)C1	ZINC001107058811	900291300	/nfs/dbraw/zinc/29/13/00/900291300.db2.gz	BFZXWOHUULKOHQ-QZTJIDSGSA-N	1	0	365.518	1.666	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C3CC3)n2C)[C@H](C)C1	ZINC001107062141	900440486	/nfs/dbraw/zinc/44/04/86/900440486.db2.gz	AMUZAZLHLVYBSX-IIAWOOMASA-N	1	0	361.490	1.468	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CCOCC(F)(F)F)[C@H](C)C1	ZINC001107065501	900455017	/nfs/dbraw/zinc/45/50/17/900455017.db2.gz	PXKAOUXWZHWQGV-MGPQQGTHSA-N	1	0	352.397	1.841	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CCCN2CCCC2=O)[C@H](C)C1	ZINC001107065840	900457528	/nfs/dbraw/zinc/45/75/28/900457528.db2.gz	ZJOJIDQNPHOTFY-BRWVUGGUSA-N	1	0	351.491	1.274	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc3c2CCC3)C[C@H]1C	ZINC001107067038	900464742	/nfs/dbraw/zinc/46/47/42/900464742.db2.gz	UFRHQVATIGOMJQ-SOLBZPMBSA-N	1	0	367.493	1.611	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001107081437	900608696	/nfs/dbraw/zinc/60/86/96/900608696.db2.gz	PHAJTRBSXKMFTO-CZUORRHYSA-N	1	0	360.433	1.537	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001107082560	900618337	/nfs/dbraw/zinc/61/83/37/900618337.db2.gz	NNMHOWJINVLNMH-CZUORRHYSA-N	1	0	360.433	1.537	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CCNC(=O)CC(C)C)C[C@H]1C	ZINC001107089487	900800592	/nfs/dbraw/zinc/80/05/92/900800592.db2.gz	UINZBBUNQNXNPA-IAGOWNOFSA-N	1	0	353.507	1.426	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2ccc(C)s2)C[C@H]1C	ZINC001107092764	900845555	/nfs/dbraw/zinc/84/55/55/900845555.db2.gz	DXDQUBHNYRKNMN-GDBMZVCRSA-N	1	0	363.527	1.975	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc3n(c2)CCCC3)C[C@H]1C	ZINC001107102989	901146327	/nfs/dbraw/zinc/14/63/27/901146327.db2.gz	AVVMKXKFHBQHRR-JFIYKMOQSA-N	1	0	370.497	1.260	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1(CNC(=O)CC[N@@H+](C)CC)CCC1	ZINC001064508872	901345670	/nfs/dbraw/zinc/34/56/70/901345670.db2.gz	RHULQKRBYFBODC-CVEARBPZSA-N	1	0	351.491	1.465	20	30		FDEDRO
Cc1cc(C#N)nc(N2CC[C@]3(CCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C3)C2)n1	ZINC001064650176	901519532	/nfs/dbraw/zinc/51/95/32/901519532.db2.gz	QDTYVHUXCGKZTM-MDYRTPRTSA-N	1	0	368.485	1.426	20	30		FDEDRO
Cc1cc(N2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)c(C#N)cn1	ZINC001090351222	901780667	/nfs/dbraw/zinc/78/06/67/901780667.db2.gz	BHVRXYPFWPORON-MAUKXSAKSA-N	1	0	353.470	1.641	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cccn2C)C1	ZINC001079128208	901933019	/nfs/dbraw/zinc/93/30/19/901933019.db2.gz	PMAGVRJTCBIMQF-WOJBJXKFSA-N	1	0	351.450	1.736	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cn(C)cn2)C1	ZINC001079132244	901944258	/nfs/dbraw/zinc/94/42/58/901944258.db2.gz	BDPNENAFOIGUEX-RTBURBONSA-N	1	0	354.454	1.684	20	30		FDEDRO
CC(C)[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cc(C#N)c[nH]2)C1	ZINC001079132638	901946997	/nfs/dbraw/zinc/94/69/97/901946997.db2.gz	YHKHEMZGDHCCAH-RTBURBONSA-N	1	0	352.438	1.982	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCCCO2)C1	ZINC001079132576	901947255	/nfs/dbraw/zinc/94/72/55/901947255.db2.gz	UYGAFIXVOUKKBM-AQNXPRMDSA-N	1	0	356.466	1.653	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCn2ccnn2)CC[C@H]1c1ccc(F)cc1	ZINC001079151319	901984302	/nfs/dbraw/zinc/98/43/02/901984302.db2.gz	LLAWCNOBCFYSRX-ZWKOTPCHSA-N	1	0	355.417	1.415	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CN2CCOCC2)CC[C@H]1c1ccc(F)cc1	ZINC001079151432	901985454	/nfs/dbraw/zinc/98/54/54/901985454.db2.gz	RJVXKFJJFJODQU-RBUKOAKNSA-N	1	0	359.445	1.065	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cn(C)nn2)C1	ZINC001079134719	901997130	/nfs/dbraw/zinc/99/71/30/901997130.db2.gz	NMOAAXXRRVSMBA-RTBURBONSA-N	1	0	369.469	1.469	20	30		FDEDRO
CC#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cncn2C)C1	ZINC001079137931	902014296	/nfs/dbraw/zinc/01/42/96/902014296.db2.gz	CWFCFUDMRZTAAX-RTBURBONSA-N	1	0	352.438	1.131	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)S(C)(=O)=O)CC[C@H]1c1ccc(F)cc1	ZINC001079154546	902068874	/nfs/dbraw/zinc/06/88/74/902068874.db2.gz	JFCYJLRDJHEDKW-RRQGHBQHSA-N	1	0	366.458	1.166	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)CC[C@H]1c1ccc(F)cc1	ZINC001079158131	902079408	/nfs/dbraw/zinc/07/94/08/902079408.db2.gz	TWFTWPUOSDZSPN-QKLQHJQFSA-N	1	0	359.445	1.955	20	30		FDEDRO
C#CC[NH+]1CCC(N2C(=O)N[C@H]3CN(C(=O)[C@@H]4C[C@H]4C4CC4)CC[C@H]32)CC1	ZINC001079165179	902093656	/nfs/dbraw/zinc/09/36/56/902093656.db2.gz	IEMSFMVJJFREOZ-ZSYWTGECSA-N	1	0	370.497	1.125	20	30		FDEDRO
C#CC[NH+]1CCC(N2C(=O)N[C@H]3CN(C(=O)[C@]45C[C@H]4CCC5)CC[C@H]32)CC1	ZINC001079165350	902094948	/nfs/dbraw/zinc/09/49/48/902094948.db2.gz	PIKTWZUGLLRSQM-LNNXQNCSSA-N	1	0	370.497	1.269	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1c1cccc(F)c1	ZINC001079198686	902097679	/nfs/dbraw/zinc/09/76/79/902097679.db2.gz	NJTXSBQZAKCHMK-ZWKOTPCHSA-N	1	0	357.433	1.657	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCN(C(=O)CC)C2)C[C@H]1c1cccc(F)c1	ZINC001079205903	902111179	/nfs/dbraw/zinc/11/11/79/902111179.db2.gz	KRRPTLPXEXQGBU-NZSAHSFTSA-N	1	0	371.456	1.601	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC(N)=O)C1	ZINC001079186497	902132209	/nfs/dbraw/zinc/13/22/09/902132209.db2.gz	OEIDGHFWBYXHKL-LSDHHAIUSA-N	1	0	367.852	1.974	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2OC)C[C@H]1c1cccc(F)c1	ZINC001079193484	902152834	/nfs/dbraw/zinc/15/28/34/902152834.db2.gz	FWOTUMMPVFKSRG-DOTOQJQBSA-N	1	0	358.417	1.952	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCOC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079234388	902171741	/nfs/dbraw/zinc/17/17/41/902171741.db2.gz	JQOYBNDVBPVJCF-CEXWTWQISA-N	1	0	360.498	1.766	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CN(C(=O)c3cnnn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079238026	902180776	/nfs/dbraw/zinc/18/07/76/902180776.db2.gz	DFICCOGNNFVTFC-DOTOQJQBSA-N	1	0	359.474	1.334	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)CCn3cncn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079222981	902226322	/nfs/dbraw/zinc/22/63/22/902226322.db2.gz	JUDHGRUGFBLMIE-DLBZAZTESA-N	1	0	359.474	1.184	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)COC3CCCC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079224887	902230584	/nfs/dbraw/zinc/23/05/84/902230584.db2.gz	JFQWZURJTGOVON-RBUKOAKNSA-N	1	0	360.498	1.908	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC2(CC[NH+](Cc3ccnn3C)CC2)[C@H]2COC[C@H]21	ZINC001079228337	902242546	/nfs/dbraw/zinc/24/25/46/902242546.db2.gz	HJCMVTXMHDHMCY-HYVNUMGLSA-N	1	0	357.458	1.019	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)C[C@@H]3CCNC3=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079245031	902252149	/nfs/dbraw/zinc/25/21/49/902252149.db2.gz	UBXYUWKRAWVJPS-YESZJQIVSA-N	1	0	361.486	1.028	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)CCc3ccncn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079244996	902252437	/nfs/dbraw/zinc/25/24/37/902252437.db2.gz	QZEAKLBXZGIXNC-RBUKOAKNSA-N	1	0	368.481	1.372	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)Cc3nc(CC)c[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079246207	902256715	/nfs/dbraw/zinc/25/67/15/902256715.db2.gz	VZVPCQSPUQZSQA-ZWKOTPCHSA-N	1	0	370.497	1.477	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cc(OCC)n[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079247296	902261600	/nfs/dbraw/zinc/26/16/00/902261600.db2.gz	WSQIJKUENYDPOM-GOEBONIOSA-N	1	0	360.458	1.547	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cn(C)nc3CC)[C@@H]3COC[C@@H]32)CC1	ZINC001079247285	902261699	/nfs/dbraw/zinc/26/16/99/902261699.db2.gz	WGBIHPNMCLIXQP-PKOBYXMFSA-N	1	0	370.497	1.559	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCn4cncc4C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079248004	902262735	/nfs/dbraw/zinc/26/27/35/902262735.db2.gz	BVCDJJJYIHSAAJ-NZSAHSFTSA-N	1	0	368.481	1.018	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCn4cncc4C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079248005	902263161	/nfs/dbraw/zinc/26/31/61/902263161.db2.gz	BVCDJJJYIHSAAJ-YTQUADARSA-N	1	0	368.481	1.018	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)Cn3ccccc3=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079273485	902266229	/nfs/dbraw/zinc/26/62/29/902266229.db2.gz	CEYOLZXASGCMNU-ZWKOTPCHSA-N	1	0	371.481	1.364	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)CCc3ccncc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079250184	902268322	/nfs/dbraw/zinc/26/83/22/902268322.db2.gz	QHHYKARTSJVRDV-VQTJNVASSA-N	1	0	367.493	1.977	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCO[C@H]3C3CC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079253009	902275692	/nfs/dbraw/zinc/27/56/92/902275692.db2.gz	XEUQXKLFRGUTBH-WCIQWLHISA-N	1	0	372.509	1.764	20	30		FDEDRO
C=C[C@@H](C(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21)c1ccccc1	ZINC001079273674	902285603	/nfs/dbraw/zinc/28/56/03/902285603.db2.gz	LAPJITMUHVIFRJ-HSALFYBXSA-N	1	0	370.493	1.888	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@H]3Cc4ccccc43)[C@@H]3COC[C@@H]32)CC1	ZINC001079257192	902289101	/nfs/dbraw/zinc/28/91/01/902289101.db2.gz	ZBJJTHAKZBOGBH-SLFFLAALSA-N	1	0	350.462	1.899	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)Cc3ncccc3F)[C@@H]3COC[C@@H]32)CC1	ZINC001079258120	902290592	/nfs/dbraw/zinc/29/05/92/902290592.db2.gz	NXNKEXYVVRYKRN-QFBILLFUSA-N	1	0	371.456	1.726	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3ocnc3CC)[C@@H]3COC[C@@H]32)CC1	ZINC001079259967	902297571	/nfs/dbraw/zinc/29/75/71/902297571.db2.gz	WUZFUZACROEOOX-DOTOQJQBSA-N	1	0	357.454	1.813	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)CCc3cn[nH]n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079261929	902302458	/nfs/dbraw/zinc/30/24/58/902302458.db2.gz	PWEFNJFDPMPQIL-DLBZAZTESA-N	1	0	359.474	1.253	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3ccc(OC)o3)[C@@H]3COC[C@@H]32)CC1	ZINC001079268004	902317696	/nfs/dbraw/zinc/31/76/96/902317696.db2.gz	HCQGWJSTEUJOCU-JKSUJKDBSA-N	1	0	358.438	1.865	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cnn(CC)c3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079268116	902319548	/nfs/dbraw/zinc/31/95/48/902319548.db2.gz	NUXXDUZARXSYFW-ZWKOTPCHSA-N	1	0	358.486	1.950	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3c[nH]nc3C3CC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079268385	902321103	/nfs/dbraw/zinc/32/11/03/902321103.db2.gz	XTLCPDCYXMNTRS-ZWKOTPCHSA-N	1	0	368.481	1.863	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3c4c(nn3C)CCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079270326	902328349	/nfs/dbraw/zinc/32/83/49/902328349.db2.gz	MVJHTCTYFJRNBR-FUHWJXTLSA-N	1	0	368.481	1.095	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3ncccc3OC)[C@@H]3COC[C@@H]32)CC1	ZINC001079271383	902333572	/nfs/dbraw/zinc/33/35/72/902333572.db2.gz	QSKCNOMNQPVSMM-DLBZAZTESA-N	1	0	369.465	1.667	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)Cc3ccn(CC)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079243044	902338664	/nfs/dbraw/zinc/33/86/64/902338664.db2.gz	ICFISFKHVSKZMY-ZWKOTPCHSA-N	1	0	358.486	1.571	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC3(CCN(CC#N)CC3)[C@H]3COC[C@H]32)CC[N@@H+]1C	ZINC001079243054	902340410	/nfs/dbraw/zinc/34/04/10/902340410.db2.gz	IMADLQIXGCIKHA-WNRNVDISSA-N	1	0	360.502	1.180	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCN(C)C2=O)C[C@H]1c1ccccc1F	ZINC001079299264	902342428	/nfs/dbraw/zinc/34/24/28/902342428.db2.gz	HBUNRIQHGQBJNS-QILLFSRXSA-N	1	0	359.445	1.764	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)CN(C)c3ccccc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079274563	902356228	/nfs/dbraw/zinc/35/62/28/902356228.db2.gz	VTIZKYBCYREPDU-VQTJNVASSA-N	1	0	367.493	1.695	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CC)C[C@H]2c2ccccc2F)C1=O	ZINC001079275221	902357329	/nfs/dbraw/zinc/35/73/29/902357329.db2.gz	JMDFYVMIUSPYQP-CGTJXYLNSA-N	1	0	359.445	1.907	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1c1ccccc1F	ZINC001079297774	902404946	/nfs/dbraw/zinc/40/49/46/902404946.db2.gz	JYNFXVHZPAHBJR-UWWQBHOKSA-N	1	0	359.445	1.812	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC=C)C1	ZINC001079298934	902406262	/nfs/dbraw/zinc/40/62/62/902406262.db2.gz	ODAHHKISGTZICL-SXLOBPIMSA-N	1	0	355.457	1.993	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCn2cnccc2=O)C[C@H]1c1ccccc1F	ZINC001079316890	902413593	/nfs/dbraw/zinc/41/35/93/902413593.db2.gz	CWOQPMIHBDLMLD-FUHWJXTLSA-N	1	0	370.428	1.543	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]([NH2+]CC(=O)N2CCCC2)C(C)(C)C1	ZINC000995817193	902414798	/nfs/dbraw/zinc/41/47/98/902414798.db2.gz	XUAXQDASCJDWGU-IKGGRYGDSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)=O)C[C@H]1c1ccccc1F	ZINC001079318541	902419000	/nfs/dbraw/zinc/41/90/00/902419000.db2.gz	KCRZTNBJONILSZ-UHOSZYNNSA-N	1	0	357.429	1.354	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]C[C@@H](C)O)C2)cn1	ZINC001079318547	902419339	/nfs/dbraw/zinc/41/93/39/902419339.db2.gz	KEUMMLHIHUMRQF-HEFCMCLBSA-N	1	0	367.424	1.781	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCCCC(=O)N2)C[C@H]1c1ccccc1F	ZINC001079319736	902420370	/nfs/dbraw/zinc/42/03/70/902420370.db2.gz	LTMXYHRGXGMNHQ-VDZJLULYSA-N	1	0	371.456	1.792	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C(C)=O)C[C@H]1c1ccccc1F	ZINC001079322897	902427730	/nfs/dbraw/zinc/42/77/30/902427730.db2.gz	CKHMKZWOOHUUDZ-QXAKKESOSA-N	1	0	359.445	1.907	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2C)C[C@H]1c1ccccc1F	ZINC001079305247	902436652	/nfs/dbraw/zinc/43/66/52/902436652.db2.gz	SLSZJBFCKPKJMO-QILLFSRXSA-N	1	0	359.445	1.907	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)C[C@H]1c1ccccc1F	ZINC001079307279	902438842	/nfs/dbraw/zinc/43/88/42/902438842.db2.gz	AMRPOEMCHJVZGF-VPWXQRGCSA-N	1	0	359.445	1.812	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cncnc2)C[C@H]1c1ccccc1F	ZINC001079307445	902438918	/nfs/dbraw/zinc/43/89/18/902438918.db2.gz	KPRMUKSWADWCKO-UCLAIMLFSA-N	1	0	352.413	1.937	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@H]2c2ccccc2F)c1	ZINC001079308409	902441908	/nfs/dbraw/zinc/44/19/08/902441908.db2.gz	DIKUIVQQGDVJBN-FUHWJXTLSA-N	1	0	366.396	1.267	20	30		FDEDRO
C=CCOCCCC(=O)N(CC)C1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001079552558	902788300	/nfs/dbraw/zinc/78/83/00/902788300.db2.gz	GDNAJTIVISLLDK-ZWKOTPCHSA-N	1	0	365.518	1.759	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C#N)c[nH]1)C2	ZINC000996011337	902893345	/nfs/dbraw/zinc/89/33/45/902893345.db2.gz	XRPVBJUTUPBJHD-FZCLSBEQSA-N	1	0	369.469	1.622	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CC1(C)C	ZINC000996073101	902988673	/nfs/dbraw/zinc/98/86/73/902988673.db2.gz	YYIKXPIJUASQOR-HZSPNIEDSA-N	1	0	357.882	1.379	20	30		FDEDRO
C[NH+](C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C#N)[nH]1)C2)C1CC1	ZINC000996110150	903114299	/nfs/dbraw/zinc/11/42/99/903114299.db2.gz	VJPSUHMBRRRHIR-IWCQGFGOSA-N	1	0	355.442	1.088	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[NH+](CC)CC)C1	ZINC001079817516	903336545	/nfs/dbraw/zinc/33/65/45/903336545.db2.gz	CGDPYWKNNQRUEN-SJORKVTESA-N	1	0	351.491	1.369	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)Cn1cc(C2CC2)nn1	ZINC001079846702	903508228	/nfs/dbraw/zinc/50/82/28/903508228.db2.gz	ZEIBTXASQLQQDV-RDTXWAMCSA-N	1	0	364.453	1.664	20	30		FDEDRO
C#CCC1(C(=O)N2CC(N(CC)C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CCC1	ZINC001079860880	903552422	/nfs/dbraw/zinc/55/24/22/903552422.db2.gz	CEMLITYOWRWWOK-ZWKOTPCHSA-N	1	0	359.514	1.970	20	30		FDEDRO
C=CCOCCCC(=O)N1CC(N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001079861164	903553776	/nfs/dbraw/zinc/55/37/76/903553776.db2.gz	OUHMIZRBKNTKDX-ZWKOTPCHSA-N	1	0	365.518	1.759	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1C	ZINC001079878015	903600131	/nfs/dbraw/zinc/60/01/31/903600131.db2.gz	AZJTYWXWKRLHKO-ZMYBRWDISA-N	1	0	367.453	1.257	20	30		FDEDRO
COCCn1nccc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C	ZINC001079929092	903731873	/nfs/dbraw/zinc/73/18/73/903731873.db2.gz	MDUUHRAWCGXLGO-CRAIPNDOSA-N	1	0	367.453	1.651	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1ccn(C)c(=O)c1	ZINC001079978752	903880205	/nfs/dbraw/zinc/88/02/05/903880205.db2.gz	BFPRMYWCJTWWEG-RDTXWAMCSA-N	1	0	350.422	1.507	20	30		FDEDRO
CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#Cc1ccccc1)CC2	ZINC001107251474	904177177	/nfs/dbraw/zinc/17/71/77/904177177.db2.gz	DIQJRUWAEWBKQW-TZIWHRDSSA-N	1	0	353.466	1.535	20	30		FDEDRO
NC(=O)NCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2	ZINC001107275809	904261789	/nfs/dbraw/zinc/26/17/89/904261789.db2.gz	HLPSMIMKDNPKNC-YLJYHZDGSA-N	1	0	354.454	1.067	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]Cc2ncnn2CCC)CC1	ZINC000996601995	904321592	/nfs/dbraw/zinc/32/15/92/904321592.db2.gz	VINGBSZYZWDFOR-SJORKVTESA-N	1	0	361.490	1.750	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)C[NH2+]CCNC(=O)[C@]12C[C@H]1COC2	ZINC001127753350	904431902	/nfs/dbraw/zinc/43/19/02/904431902.db2.gz	HXUVFZUSXOWUOH-KSSFIOAISA-N	1	0	363.483	1.005	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCCC)CC2	ZINC001107318758	904444899	/nfs/dbraw/zinc/44/48/99/904444899.db2.gz	YOCKOADTTFCGEV-SQGPQFPESA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@@H](O)COCC(C)C)CC2	ZINC001107329331	904492622	/nfs/dbraw/zinc/49/26/22/904492622.db2.gz	QMWDGJACHBNXTD-QWFCFKBJSA-N	1	0	368.518	1.583	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCO[C@@H]1CC1(F)F)CC2	ZINC001107329108	904493644	/nfs/dbraw/zinc/49/36/44/904493644.db2.gz	ILZPZLUVVXYOGO-BFYDXBDKSA-N	1	0	358.429	1.974	20	30		FDEDRO
COc1ncc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@@H](C)C#N)CCC[C@@H]23)c(C)n1	ZINC001107336330	904505897	/nfs/dbraw/zinc/50/58/97/904505897.db2.gz	LIFYGNBGJOMFTC-URKNILKWSA-N	1	0	357.458	1.814	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCNC(=O)NC(C)(C)C)CC2	ZINC001107337015	904507385	/nfs/dbraw/zinc/50/73/85/904507385.db2.gz	UPOTZEDXCGANSY-SPYBWZPUSA-N	1	0	363.506	1.605	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C(C)=C3CCCC3)CCC[C@@H]12	ZINC001107353898	904532694	/nfs/dbraw/zinc/53/26/94/904532694.db2.gz	NMFXQVCVNTWXNR-WIYYLYMNSA-N	1	0	357.498	1.987	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)CC(N)=O)CCC[C@@H]23)c(F)c1	ZINC001107347939	904547300	/nfs/dbraw/zinc/54/73/00/904547300.db2.gz	JYDOINGKORROMN-VQIMIIECSA-N	1	0	358.417	1.434	20	30		FDEDRO
C=CCOCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC)CC2	ZINC001107350881	904554168	/nfs/dbraw/zinc/55/41/68/904554168.db2.gz	SMAAEKAJFSZHLS-VQIMIIECSA-N	1	0	351.491	1.466	20	30		FDEDRO
CC(C)N(C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C#N)[nH]3)CCC[C@@H]12	ZINC001107363815	904564240	/nfs/dbraw/zinc/56/42/40/904564240.db2.gz	QQKSEJQNGYQZJE-YLJYHZDGSA-N	1	0	371.485	1.728	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)CC3OCCCO3)CCC[C@@H]12	ZINC001107381334	904649695	/nfs/dbraw/zinc/64/96/95/904649695.db2.gz	JDPCYBNEQCHDDR-VQIMIIECSA-N	1	0	350.459	1.150	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)CCC[C@@H]12	ZINC001107412232	904809513	/nfs/dbraw/zinc/80/95/13/904809513.db2.gz	OUOFQDBATOEPEZ-NAIAOIPJSA-N	1	0	370.497	1.589	20	30		FDEDRO
O=C(Cn1ncnn1)NC[C@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2	ZINC001107412286	904810163	/nfs/dbraw/zinc/81/01/63/904810163.db2.gz	RXUOJWPLIJUZCY-UYAOXDASSA-N	1	0	364.453	1.086	20	30		FDEDRO
C=C(C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(=O)NC)CC2	ZINC001107424439	904830780	/nfs/dbraw/zinc/83/07/80/904830780.db2.gz	OBJYZRZMQOOXMC-RDTXWAMCSA-N	1	0	350.463	1.159	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)CCCC[NH+](C)C)C1	ZINC001080182822	904846238	/nfs/dbraw/zinc/84/62/38/904846238.db2.gz	YLGHGEKOZOWBAP-SJORKVTESA-N	1	0	351.491	1.369	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CNS(=O)(=O)CC)CCC[C@@H]12	ZINC001107427010	904851888	/nfs/dbraw/zinc/85/18/88/904851888.db2.gz	ZUTJAMJWCNNIIH-NVXWUHKLSA-N	1	0	357.520	1.253	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3[nH]ccc3C3CC3)CCC[C@@H]12	ZINC001107432616	904882181	/nfs/dbraw/zinc/88/21/81/904882181.db2.gz	RFPINFKDRPVWDT-DYESRHJHSA-N	1	0	368.481	1.616	20	30		FDEDRO
CO[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001081691918	904938288	/nfs/dbraw/zinc/93/82/88/904938288.db2.gz	YFIDCIPOJCXWBE-HUYLIWGRSA-N	1	0	373.472	1.333	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CCN3C(=O)CCC3=O)CCC[C@@H]12	ZINC001107465034	905032217	/nfs/dbraw/zinc/03/22/17/905032217.db2.gz	GGCJDKWENYYLDY-OXQOHEQNSA-N	1	0	361.486	1.853	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[C@H]1CCC(=O)N1C	ZINC001080251050	905041159	/nfs/dbraw/zinc/04/11/59/905041159.db2.gz	SGLBQQPVRCRFKI-ZTFGCOKTSA-N	1	0	354.454	1.506	20	30		FDEDRO
CCOc1nc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC#CCOC)CC3)co1	ZINC001107462079	905067283	/nfs/dbraw/zinc/06/72/83/905067283.db2.gz	RHTVLJBFHVFMQI-VQIMIIECSA-N	1	0	361.442	1.698	20	30		FDEDRO
N#Cc1cccc(NC(=O)CONC(=[NH2+])[C@@H]2COc3ccccc3O2)c1	ZINC000764577662	905093084	/nfs/dbraw/zinc/09/30/84/905093084.db2.gz	MYROIQZUXRFVIW-INIZCTEOSA-N	1	0	352.350	1.835	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccn(CC)c3C)C2)C1=O	ZINC001080306016	905111382	/nfs/dbraw/zinc/11/13/82/905111382.db2.gz	AHWGIEWYKHVFCQ-ZTFGCOKTSA-N	1	0	358.486	1.653	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CC)cc2)C[C@H]1OC	ZINC001081811169	905132956	/nfs/dbraw/zinc/13/29/56/905132956.db2.gz	LARQUTKHUPVTSF-QHAWAJNXSA-N	1	0	369.509	1.662	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)[C@H](OC)C1	ZINC001081812456	905137084	/nfs/dbraw/zinc/13/70/84/905137084.db2.gz	TZGBUIMBHZGSGQ-JOCBIADPSA-N	1	0	362.474	1.372	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](CCC)S(N)(=O)=O)CCC[C@@H]12	ZINC001107485237	905161790	/nfs/dbraw/zinc/16/17/90/905161790.db2.gz	QDSQZBNXEYGGPE-ZMSDIMECSA-N	1	0	357.520	1.381	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3ccccc3C(N)=O)CCC[C@@H]12	ZINC001107494780	905196265	/nfs/dbraw/zinc/19/62/65/905196265.db2.gz	ZIACADAQHQUMQU-WIYYLYMNSA-N	1	0	353.466	1.712	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)C3(n4cnnn4)CCCCC3)CCC[C@@H]12	ZINC001107494832	905197951	/nfs/dbraw/zinc/19/79/51/905197951.db2.gz	AYFHTMFKANAGIS-SJLPKXTDSA-N	1	0	358.490	1.879	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)C3(n4cnnn4)CCCCC3)CCC[C@@H]12	ZINC001107495257	905199511	/nfs/dbraw/zinc/19/95/11/905199511.db2.gz	LYIGGTKSCCNTDM-IEBWSBKVSA-N	1	0	370.501	1.717	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(CC)C(=O)CCC[NH+](C)C)C1	ZINC001080384000	905293393	/nfs/dbraw/zinc/29/33/93/905293393.db2.gz	GNLYPDGFITVGDI-WMZOPIPTSA-N	1	0	351.491	1.369	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@]3(C)CCC(=O)NC3)CCC[C@@H]12	ZINC001107514610	905309154	/nfs/dbraw/zinc/30/91/54/905309154.db2.gz	OCRDBMSJZJPIFT-NSISKUIASA-N	1	0	363.502	1.466	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(N)=O)CC2	ZINC001107532556	905399333	/nfs/dbraw/zinc/39/93/33/905399333.db2.gz	ZWNPBTMDMYMMSL-FSPWUOQZSA-N	1	0	350.463	1.144	20	30		FDEDRO
C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1	ZINC001080446281	905448981	/nfs/dbraw/zinc/44/89/81/905448981.db2.gz	GNPLJASNXCFYKF-QMTMVMCOSA-N	1	0	358.461	1.976	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cncc(-n3ccnn3)c2)[C@H](OC)C1	ZINC001081982417	905509019	/nfs/dbraw/zinc/50/90/19/905509019.db2.gz	GIKVFKFTLCDJBU-IAGOWNOFSA-N	1	0	356.430	1.058	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)Nc3ccccc32)[C@H](OC)C1	ZINC001082004753	905527592	/nfs/dbraw/zinc/52/75/92/905527592.db2.gz	ZXGVDEBYYMDAGF-KBAYOESNSA-N	1	0	357.454	1.894	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2(n3cnnn3)CCCCC2)[C@H](OC)C1	ZINC001082017323	905569652	/nfs/dbraw/zinc/56/96/52/905569652.db2.gz	BWKAPLNEGATTMN-HZPDHXFCSA-N	1	0	362.478	1.114	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)c3cccnc3)CCC[C@@H]12	ZINC001107555795	905578252	/nfs/dbraw/zinc/57/82/52/905578252.db2.gz	TZSZCCXVTGWDDN-YLJYHZDGSA-N	1	0	354.454	1.196	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)CS(=O)(=O)N(CC)CC)CCC[C@@H]12	ZINC001107563629	905603947	/nfs/dbraw/zinc/60/39/47/905603947.db2.gz	KNHXLXADEGAQIS-SJLPKXTDSA-N	1	0	371.547	1.595	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cnn(CCC)c3)CCC[C@@H]12	ZINC001107560312	905629088	/nfs/dbraw/zinc/62/90/88/905629088.db2.gz	GOAWPOJLIRLDNI-YLJYHZDGSA-N	1	0	371.485	1.017	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)NS(C)(=O)=O)CCC[C@@H]12	ZINC001107571326	905652134	/nfs/dbraw/zinc/65/21/34/905652134.db2.gz	WAMRKXWLNAASCM-RHSMWYFYSA-N	1	0	357.520	1.251	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCc3scnc3C)C[C@H]2C)nn1	ZINC001080580156	905735953	/nfs/dbraw/zinc/73/59/53/905735953.db2.gz	LQWNZWYUNFRMQM-TZMCWYRMSA-N	1	0	360.487	1.522	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2C)nn1	ZINC001080584622	905745651	/nfs/dbraw/zinc/74/56/51/905745651.db2.gz	HPTDOZLUBIIDTO-CRAIPNDOSA-N	1	0	364.453	1.976	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)CCn3cnccc3=O)CCC[C@@H]12	ZINC001107589388	905804874	/nfs/dbraw/zinc/80/48/74/905804874.db2.gz	GDUVRJFSFPBUIJ-YLJYHZDGSA-N	1	0	358.486	1.960	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3NC(=O)c4ccccc43)CCC[C@@H]12	ZINC001107586345	905834950	/nfs/dbraw/zinc/83/49/50/905834950.db2.gz	RBHNLPQLERBYPA-DBXWQHBBSA-N	1	0	351.450	1.855	20	30		FDEDRO
C#CCOCCC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001082104742	905888521	/nfs/dbraw/zinc/88/85/21/905888521.db2.gz	XCWVHPQSLTUABL-OKZBNKHCSA-N	1	0	363.502	1.254	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)CCCOC)CCC[C@@H]12	ZINC001107601237	905914550	/nfs/dbraw/zinc/91/45/50/905914550.db2.gz	NDUDIGDSCCDRKI-SQGPQFPESA-N	1	0	363.502	1.159	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@@]1(C)CCOC1	ZINC001080676170	905933916	/nfs/dbraw/zinc/93/39/16/905933916.db2.gz	RPOCAAOLHMPVJG-ZTNFWEORSA-N	1	0	357.454	1.952	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](C[C@H](O)COC)CC3)nc1	ZINC001107610173	905967721	/nfs/dbraw/zinc/96/77/21/905967721.db2.gz	QPZBAOOTIJAPFR-ILZDJORESA-N	1	0	357.454	1.045	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCOCCO)CC3)cn1	ZINC001107609956	905968125	/nfs/dbraw/zinc/96/81/25/905968125.db2.gz	ITZIWDADURCCTR-UYAOXDASSA-N	1	0	357.454	1.046	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)c3cccnc3)CCC[C@@H]12	ZINC001107612127	905976260	/nfs/dbraw/zinc/97/62/60/905976260.db2.gz	SKBILPHTMLGCHE-YRISNDGFSA-N	1	0	370.497	1.848	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(N(C)C)c2)C[C@H]1OC	ZINC001082146584	905984809	/nfs/dbraw/zinc/98/48/09/905984809.db2.gz	LJTRAKSABONYNA-YSTOQKLRSA-N	1	0	373.497	1.659	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)Cn3nc(C)ccc3=O)CCC[C@@H]12	ZINC001107615486	906002818	/nfs/dbraw/zinc/00/28/18/906002818.db2.gz	CWVQTWLQTVBBIA-YLJYHZDGSA-N	1	0	358.486	1.879	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(=O)[nH]c3)CCC[C@@H]12	ZINC001107622998	906026379	/nfs/dbraw/zinc/02/63/79/906026379.db2.gz	MEIBSPJGDSLONO-DNVCBOLYSA-N	1	0	358.442	1.064	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)Cc3ccccc3)CCC[C@@H]12	ZINC001107625628	906040326	/nfs/dbraw/zinc/04/03/26/906040326.db2.gz	GNQHTHCREUIKQK-WIYYLYMNSA-N	1	0	353.466	1.339	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)CNS(=O)(=O)CCCC)CCC[C@@H]12	ZINC001107620445	906056253	/nfs/dbraw/zinc/05/62/53/906056253.db2.gz	ORXRGLOCQGMELL-SJLPKXTDSA-N	1	0	371.547	1.643	20	30		FDEDRO
CC(=O)N1CC[C@@](C)(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2C)C1	ZINC001080738316	906079823	/nfs/dbraw/zinc/07/98/23/906079823.db2.gz	CUDKUVXQYFUYEW-QFIXIFRTSA-N	1	0	368.481	1.753	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3nc(C4CC4)nn3C)CCC[C@@H]12	ZINC001107638930	906186794	/nfs/dbraw/zinc/18/67/94/906186794.db2.gz	RLCDJACKRFWAAK-OXQOHEQNSA-N	1	0	355.486	1.619	20	30		FDEDRO
C=CCn1c(=S)n(CN2CC[C@@H]([NH+]3CC=CC3)C2)nc1-c1cnccn1	ZINC000765037748	906255509	/nfs/dbraw/zinc/25/55/09/906255509.db2.gz	PKRUKLYSQPJUPQ-OAHLLOKOSA-N	1	0	369.498	1.961	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](OC)C1	ZINC001082241184	906376009	/nfs/dbraw/zinc/37/60/09/906376009.db2.gz	GLLMFDXFXKFUNN-IAGOWNOFSA-N	1	0	351.878	1.930	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[C@H]1CCCCC(=O)N1	ZINC001080848992	906436994	/nfs/dbraw/zinc/43/69/94/906436994.db2.gz	GWDULQKFVYRALL-ATZDWAIDSA-N	1	0	368.481	1.944	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCS(=O)(=O)C1)C2	ZINC001112538922	906479735	/nfs/dbraw/zinc/47/97/35/906479735.db2.gz	BDYCHGZOLLCVDO-RYRKJORJSA-N	1	0	352.500	1.053	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)Cc3ccc(F)cc3)C2)C1=O	ZINC001080877137	906561181	/nfs/dbraw/zinc/56/11/81/906561181.db2.gz	HCVWZCJDYCXSEY-OLMNPRSZSA-N	1	0	359.445	1.592	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCCN1C(=O)CC[NH+](C)C	ZINC001082277653	906592749	/nfs/dbraw/zinc/59/27/49/906592749.db2.gz	ZCAFQMBUJOKKIE-BQFCYCMXSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C2	ZINC001112539035	906663589	/nfs/dbraw/zinc/66/35/89/906663589.db2.gz	HTIBJNPRWSUHCK-YJBOKZPZSA-N	1	0	356.532	1.994	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CC(CC)CC)C[C@H]1OC	ZINC001082331974	906812185	/nfs/dbraw/zinc/81/21/85/906812185.db2.gz	NKGUSEOFBRKTNR-QZTJIDSGSA-N	1	0	359.470	1.959	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3nnc(C4CC4)o3)C[C@H]2C)CC1	ZINC001080998176	906975986	/nfs/dbraw/zinc/97/59/86/906975986.db2.gz	VNYYEAGZKSFBJA-RHSMWYFYSA-N	1	0	371.485	1.229	20	30		FDEDRO
CCOc1cnc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)cn1	ZINC001081053705	907116440	/nfs/dbraw/zinc/11/64/40/907116440.db2.gz	MPLJDZVIDQYKEL-RDTXWAMCSA-N	1	0	365.437	1.997	20	30		FDEDRO
COC(=O)CCC[NH+]1CCC(N=Nc2nc(-c3ccncc3)no2)CC1	ZINC000727062102	907125668	/nfs/dbraw/zinc/12/56/68/907125668.db2.gz	SXFYQMQIKNBPEZ-UHFFFAOYSA-N	1	0	358.402	1.949	20	30		FDEDRO
COc1nccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2c2ccccc2)n1	ZINC001081099451	907126996	/nfs/dbraw/zinc/12/69/96/907126996.db2.gz	XXJYRJUFIMVBLY-FHLIZLRMSA-N	1	0	365.437	1.729	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cn(C(C)C)nn2)CC1	ZINC000997079024	907197143	/nfs/dbraw/zinc/19/71/43/907197143.db2.gz	DXUKJCKWGQDZJD-ROUUACIJSA-N	1	0	361.490	1.921	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([NH2+][C@@H](C)c2nnnn2C)CC1	ZINC000997082982	907212093	/nfs/dbraw/zinc/21/20/93/907212093.db2.gz	FVQXZYGGXRWOKJ-BPUTZDHNSA-N	1	0	362.478	1.223	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccn3nnnc3c2)C[C@H]1c1ccccc1	ZINC001081157560	907273307	/nfs/dbraw/zinc/27/33/07/907273307.db2.gz	ACDJGDQXAMDIFV-ZWKOTPCHSA-N	1	0	362.437	1.898	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1OC	ZINC001082384568	907391591	/nfs/dbraw/zinc/39/15/91/907391591.db2.gz	CJBBGAHGHWQEJP-VAMGGRTRSA-N	1	0	370.497	1.748	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCn2cnccc2=O)C[C@H]1c1ccccc1	ZINC001081204864	907392946	/nfs/dbraw/zinc/39/29/46/907392946.db2.gz	HCXGKPPIURFWTM-RBUKOAKNSA-N	1	0	366.465	1.794	20	30		FDEDRO
C#CCC[NH2+]Cc1ccncc1O[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C)O2)C1	ZINC001127898585	907590256	/nfs/dbraw/zinc/59/02/56/907590256.db2.gz	UPEQITUVLMBXML-BPQIPLTHSA-N	1	0	357.454	1.742	20	30		FDEDRO
C=CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1	ZINC000842938804	907653674	/nfs/dbraw/zinc/65/36/74/907653674.db2.gz	SFMJNPOJLWHMNM-GASCZTMLSA-N	1	0	359.478	1.410	20	30		FDEDRO
CC[C@H]1CCCCN1C(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC001082464909	907900148	/nfs/dbraw/zinc/90/01/48/907900148.db2.gz	QNPVZOJBOQARLO-UWWQBHOKSA-N	1	0	371.485	1.728	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1[NH2+]C[C@@H](O)c1ccc(F)cc1	ZINC001082464903	907900168	/nfs/dbraw/zinc/90/01/68/907900168.db2.gz	QCNJJDJOHXPABS-NXOUGTEYSA-N	1	0	356.401	1.809	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082472606	907923632	/nfs/dbraw/zinc/92/36/32/907923632.db2.gz	UNFFSZUZFQGOJU-UWWQBHOKSA-N	1	0	370.453	1.052	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2COC(=O)C2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082474581	907930439	/nfs/dbraw/zinc/93/04/39/907930439.db2.gz	VJJCWUDIAZEVCC-UWWQBHOKSA-N	1	0	371.437	1.479	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2=CCOCC2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082486426	907979475	/nfs/dbraw/zinc/97/94/75/907979475.db2.gz	CJEYESKDWLHQJZ-DNVCBOLYSA-N	1	0	355.438	1.872	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CCOC3CCC3)C[C@H]2O)cc1	ZINC001077795546	907992559	/nfs/dbraw/zinc/99/25/59/907992559.db2.gz	MRRANWFRAZHZBQ-RTBURBONSA-N	1	0	358.438	1.043	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C)C[C@H]2O)cc1	ZINC001077795583	907993454	/nfs/dbraw/zinc/99/34/54/907993454.db2.gz	NUJRTCZUGMICKV-NHCUHLMSSA-N	1	0	364.445	1.982	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2(CC)CC2)CC1	ZINC000997357039	908325146	/nfs/dbraw/zinc/32/51/46/908325146.db2.gz	JBDKLYYKNXGNGI-SQNIBIBYSA-N	1	0	357.498	1.770	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082556426	908581643	/nfs/dbraw/zinc/58/16/43/908581643.db2.gz	PHODQCDDGVUNNP-QGPMSJSTSA-N	1	0	370.453	1.052	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1	ZINC001082561729	908630360	/nfs/dbraw/zinc/63/03/60/908630360.db2.gz	NMBLJAJJSYKMMS-BRWVUGGUSA-N	1	0	358.486	1.641	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nccn2C(F)F)C1	ZINC001082568009	908704760	/nfs/dbraw/zinc/70/47/60/908704760.db2.gz	ROTJTCPEUNGRNM-KFWWJZLASA-N	1	0	365.428	1.312	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3OCCO[C@H]3C)C[C@H]2C)cc1C#N	ZINC001082569726	908721326	/nfs/dbraw/zinc/72/13/26/908721326.db2.gz	ANIWWFKGYKWLFR-AHMDFLBRSA-N	1	0	373.453	1.307	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C[N@@H+]1C1CC1	ZINC000267908990	908735341	/nfs/dbraw/zinc/73/53/41/908735341.db2.gz	LIIUKCRVTRMRKU-ZBFHGGJFSA-N	1	0	354.458	1.410	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)CC1	ZINC001060849198	908870712	/nfs/dbraw/zinc/87/07/12/908870712.db2.gz	PXBRFUZDDHMZDX-TVFCKZIOSA-N	1	0	365.518	1.709	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1)S(C)(=O)=O	ZINC001082598006	908947287	/nfs/dbraw/zinc/94/72/87/908947287.db2.gz	XCEUCXDGVBFALS-BFQNTYOBSA-N	1	0	367.446	1.067	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCN(CC)C2=O)C1	ZINC001082599877	908960536	/nfs/dbraw/zinc/96/05/36/908960536.db2.gz	PBDDJIJBBFSRSP-KBAYOESNSA-N	1	0	371.481	1.922	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(CN(C)C)on2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082609249	908990473	/nfs/dbraw/zinc/99/04/73/908990473.db2.gz	ZKEIZIKBYJNERJ-AUUYWEPGSA-N	1	0	367.453	1.858	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1OC)OCC	ZINC001212355089	909075515	/nfs/dbraw/zinc/07/55/15/909075515.db2.gz	SSYIPSIPZVXGJF-KZNAEPCWSA-N	1	0	356.507	1.988	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3c[nH]nc3CCC)C[C@H]2C)C1=O	ZINC001082612878	909103125	/nfs/dbraw/zinc/10/31/25/909103125.db2.gz	QGLHNHWHLUJYRT-XOKHGSTOSA-N	1	0	359.474	1.199	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1cncc1C	ZINC000997550942	909147953	/nfs/dbraw/zinc/14/79/53/909147953.db2.gz	SEVNLBZWRBCGFV-IKGGRYGDSA-N	1	0	367.453	1.741	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cnc3sccn3c2=O)C[C@H]1C	ZINC001082626783	909148831	/nfs/dbraw/zinc/14/88/31/909148831.db2.gz	KOUJPEUEUFHCDG-BXKDBHETSA-N	1	0	352.847	1.559	20	30		FDEDRO
Cn1nnc2c1nccc2C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000282162931	909180063	/nfs/dbraw/zinc/18/00/63/909180063.db2.gz	DDVCHNMXZXPWAZ-UHFFFAOYSA-N	1	0	363.425	1.439	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCCC(=O)N2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082632416	909187257	/nfs/dbraw/zinc/18/72/57/909187257.db2.gz	VQRZUVXBOQHBNS-ZTFGCOKTSA-N	1	0	354.454	1.554	20	30		FDEDRO
COCCn1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)n1	ZINC001082635705	909230186	/nfs/dbraw/zinc/23/01/86/909230186.db2.gz	SVGMIQDPEWFJRB-DNVCBOLYSA-N	1	0	367.453	1.651	20	30		FDEDRO
CCn1cc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)nn1	ZINC001082656910	909416407	/nfs/dbraw/zinc/41/64/07/909416407.db2.gz	AZZFQNAQXSZEJG-FZKQIMNGSA-N	1	0	370.432	1.488	20	30		FDEDRO
CCn1cc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)nn1	ZINC001082657203	909418605	/nfs/dbraw/zinc/41/86/05/909418605.db2.gz	OCJFQKSZDVRAEO-FZKQIMNGSA-N	1	0	370.432	1.488	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCNC(=O)CC2)C[C@H]1C	ZINC001082664923	909447857	/nfs/dbraw/zinc/44/78/57/909447857.db2.gz	PJLXACSDASITRJ-KGYLQXTDSA-N	1	0	358.280	1.248	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCCCC3)C2)cc1	ZINC001082678438	909562246	/nfs/dbraw/zinc/56/22/46/909562246.db2.gz	WIQIFDBZIPLDIS-VQIMIIECSA-N	1	0	353.466	1.731	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)c3ccccc3C2=O)C1	ZINC001082685845	909573632	/nfs/dbraw/zinc/57/36/32/909573632.db2.gz	SGXTWYGROTWUNS-RHSMWYFYSA-N	1	0	369.465	1.931	20	30		FDEDRO
C[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000997754838	909618241	/nfs/dbraw/zinc/61/82/41/909618241.db2.gz	UCHOLWREJOSXLJ-VHSSKADRSA-N	1	0	354.454	1.396	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC(C[NH2+]Cc3cccc(C#N)c3)CC2)C1	ZINC000997782179	909689580	/nfs/dbraw/zinc/68/95/80/909689580.db2.gz	SHSCWCIPCVLYJO-DNVCBOLYSA-N	1	0	368.481	1.801	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCO[C@@H](C)C3)C2)CC1	ZINC001082722215	909829069	/nfs/dbraw/zinc/82/90/69/909829069.db2.gz	FJLWDBVNYITMJZ-SOLBZPMBSA-N	1	0	363.502	1.417	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3n[nH]cc3F)C[C@H]2C)cc1C#N	ZINC001082724778	909840435	/nfs/dbraw/zinc/84/04/35/909840435.db2.gz	IWJCOOKNSBJIBI-IAQYHMDHSA-N	1	0	357.389	1.679	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C[C@H]1C	ZINC001082738386	909919499	/nfs/dbraw/zinc/91/94/99/909919499.db2.gz	NCYVLKRNODIFJK-MIGQKNRLSA-N	1	0	369.893	1.345	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ncccc2NC(C)=O)[C@H](OC)C1	ZINC001212381623	909966090	/nfs/dbraw/zinc/96/60/90/909966090.db2.gz	AZJVFQCYRTWHFZ-KBRIMQKVSA-N	1	0	360.458	1.824	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082746107	909975905	/nfs/dbraw/zinc/97/59/05/909975905.db2.gz	JSAZTWMJYDADHO-PIGZYNQJSA-N	1	0	369.400	1.375	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)CCc3cn[nH]n3)C[C@H]2C)cc1C#N	ZINC001082750492	909989837	/nfs/dbraw/zinc/98/98/37/909989837.db2.gz	UPQRAYIBTZHFSJ-CXAGYDPISA-N	1	0	368.441	1.254	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082761559	910042491	/nfs/dbraw/zinc/04/24/91/910042491.db2.gz	UUCBHUJYHNOCPC-RDTXWAMCSA-N	1	0	351.410	1.629	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3CCCC3=O)C2)cc1	ZINC001082791200	910191617	/nfs/dbraw/zinc/19/16/17/910191617.db2.gz	FWFGJBDIALSVMW-VQIMIIECSA-N	1	0	369.465	1.371	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1	ZINC000998058729	910253051	/nfs/dbraw/zinc/25/30/51/910253051.db2.gz	NRXQSACJMRKNCG-NXHRZFHOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+][C@@H]2CCN(C(C)C)C2=O)CC1	ZINC000998094151	910330432	/nfs/dbraw/zinc/33/04/32/910330432.db2.gz	GLVOPYMODSXECU-KURKYZTESA-N	1	0	363.502	1.415	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ncnn2CCC)CC1	ZINC000998094265	910332682	/nfs/dbraw/zinc/33/26/82/910332682.db2.gz	IOUVENWTOMXVCJ-SJORKVTESA-N	1	0	361.490	1.607	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cncc(OC)n2)CC1	ZINC000998095939	910337512	/nfs/dbraw/zinc/33/75/12/910337512.db2.gz	XTGMDOSOBKIWAZ-SJORKVTESA-N	1	0	360.458	1.405	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(CC3CC3)nn2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082828784	910347673	/nfs/dbraw/zinc/34/76/73/910347673.db2.gz	HVQOKKWVSIIDJF-RDTXWAMCSA-N	1	0	364.453	1.810	20	30		FDEDRO
C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC000998115426	910372934	/nfs/dbraw/zinc/37/29/34/910372934.db2.gz	JNTQVLBPHTVYSM-IXDOHACOSA-N	1	0	351.491	1.511	20	30		FDEDRO
C[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1)N1CCCC1=O	ZINC001082856865	910491967	/nfs/dbraw/zinc/49/19/67/910491967.db2.gz	JWCHZJRXNFBDSY-JTDSTZFVSA-N	1	0	368.481	1.896	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCCCO2)C1	ZINC001082869069	910511196	/nfs/dbraw/zinc/51/11/96/910511196.db2.gz	NQCKFTHVYJVVIW-JFIYKMOQSA-N	1	0	357.454	1.713	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnn(C)c2)C1	ZINC001082868596	910564378	/nfs/dbraw/zinc/56/43/78/910564378.db2.gz	IWQIMLUFQFHUSN-RHSMWYFYSA-N	1	0	353.426	1.077	20	30		FDEDRO
C#CCC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@@H]1CCO[C@H]1CC)CC2	ZINC001128021290	910569084	/nfs/dbraw/zinc/56/90/84/910569084.db2.gz	XTPOLKKJFZNWQZ-OAGGEKHMSA-N	1	0	359.474	1.027	20	30		FDEDRO
CC(C)NC(=O)CNC(=S)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000727277908	910671381	/nfs/dbraw/zinc/67/13/81/910671381.db2.gz	CHUYPAVBXGCAAW-UHFFFAOYSA-N	1	0	361.515	1.321	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2OC)CCOCC1	ZINC001212396025	910758292	/nfs/dbraw/zinc/75/82/92/910758292.db2.gz	XMXLCOWDXSAFOO-RTBURBONSA-N	1	0	356.466	1.822	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@H]2OC)CCOCC1	ZINC001212396015	910759122	/nfs/dbraw/zinc/75/91/22/910759122.db2.gz	XCBJLGFTIBUVSN-RCCFBDPRSA-N	1	0	364.486	1.191	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CCc3cccs3)C[C@H]2C)C1=O	ZINC001082910860	910851326	/nfs/dbraw/zinc/85/13/26/910851326.db2.gz	OHQOPTYMOSQNFV-DJIMGWMZSA-N	1	0	361.511	1.904	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@H]1C	ZINC001082911509	910855939	/nfs/dbraw/zinc/85/59/39/910855939.db2.gz	DNJSNQCWNIWCCV-DGCLKSJQSA-N	1	0	354.248	1.193	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C[C@H]1C	ZINC001082912541	910860871	/nfs/dbraw/zinc/86/08/71/910860871.db2.gz	KUCJFXLCORZBBZ-IVMMDQJWSA-N	1	0	353.894	1.967	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cncc(C(N)=O)c2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082927208	910961569	/nfs/dbraw/zinc/96/15/69/910961569.db2.gz	RNVMTKNIALDOPH-FZKQIMNGSA-N	1	0	363.421	1.302	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CCO[C@@H]3C[N@@H+](CC4CC(F)(F)C4)C[C@@H]32)c1	ZINC001083040501	911760814	/nfs/dbraw/zinc/76/08/14/911760814.db2.gz	PPDIYTIIFXKDOS-LSDHHAIUSA-N	1	0	350.369	1.457	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cc(C#N)ccc2F)C1	ZINC000998928770	911865581	/nfs/dbraw/zinc/86/55/81/911865581.db2.gz	QBXBUDKVUZTAEM-JUSSBARDSA-N	1	0	361.417	1.580	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3cc(OC)ccc3OC)[C@H]2C1	ZINC001083110652	911893571	/nfs/dbraw/zinc/89/35/71/911893571.db2.gz	NVEDFRWFECTWRS-PKOBYXMFSA-N	1	0	358.438	1.181	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CCCC[N@H+]2C)cn1	ZINC000998950085	911897246	/nfs/dbraw/zinc/89/72/46/911897246.db2.gz	JJCFUTFEZZTLIT-XWSJACJDSA-N	1	0	366.465	1.409	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)Cc3cn4cc(C)sc4n3)[C@H]2C1	ZINC001083130218	912123035	/nfs/dbraw/zinc/12/30/35/912123035.db2.gz	CSTODHNHZMLPMW-JKSUJKDBSA-N	1	0	360.483	1.734	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CCCN3C(=O)CNC3=O)C[C@H]21	ZINC001084574036	915380697	/nfs/dbraw/zinc/38/06/97/915380697.db2.gz	NGXBPEKAGJNZRD-HUUCEWRRSA-N	1	0	362.474	1.063	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccnc(F)c2)C1=O	ZINC001085148245	921793361	/nfs/dbraw/zinc/79/33/61/921793361.db2.gz	MBYYDUICVPLGOT-BZUAXINKSA-N	1	0	360.433	1.638	20	30		FDEDRO
Cn1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)[nH]c1=O	ZINC001084633760	915769337	/nfs/dbraw/zinc/76/93/37/915769337.db2.gz	SHWRLHCWQRPVSE-NVXWUHKLSA-N	1	0	351.410	1.344	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccn(C)c(=O)c4)C[C@H]32)c1	ZINC001084647419	915869625	/nfs/dbraw/zinc/86/96/25/915869625.db2.gz	WUNLGDIGNHIJDK-IEBWSBKVSA-N	1	0	362.433	1.108	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000730104549	916136728	/nfs/dbraw/zinc/13/67/28/916136728.db2.gz	QLBUZARRAJYNMG-FQEVSTJZSA-N	1	0	354.498	1.413	20	30		FDEDRO
C#CCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(C)cc1	ZINC000730138282	916182978	/nfs/dbraw/zinc/18/29/78/916182978.db2.gz	KLZFLSDJQVFFRT-INIZCTEOSA-N	1	0	372.494	1.628	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCN(Cc4ccccc4C#N)C[C@H]32)C1	ZINC001084775817	917001429	/nfs/dbraw/zinc/00/14/29/917001429.db2.gz	VNTZDXKTYGEICT-PWIZWCRZSA-N	1	0	352.482	1.933	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4ccns4)C[C@H]32)CC1	ZINC001084850910	917656847	/nfs/dbraw/zinc/65/68/47/917656847.db2.gz	CHCDFDRCISPDPB-SJLPKXTDSA-N	1	0	358.511	1.521	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN([C@H](C)c4cnccn4)C[C@H]32)CC1	ZINC001084851191	917660500	/nfs/dbraw/zinc/66/05/00/917660500.db2.gz	QYYOUOIKCZLSDO-YVWKXTFCSA-N	1	0	367.497	1.416	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4nccnc4C)C[C@H]32)CC1	ZINC001084851348	917660790	/nfs/dbraw/zinc/66/07/90/917660790.db2.gz	YLOWQQNTGLBNCT-UYAOXDASSA-N	1	0	367.497	1.163	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN([C@@H](C)c4noc(C)n4)C[C@H]32)CC1	ZINC001084851255	917661025	/nfs/dbraw/zinc/66/10/25/917661025.db2.gz	UGTKLCPNVQVBPH-BMGDILEWSA-N	1	0	371.485	1.317	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ccc(C)n4C)C[C@@H]32)C1=O	ZINC001084889320	918013596	/nfs/dbraw/zinc/01/35/96/918013596.db2.gz	NERWVWBYUMNSAH-UHOSZYNNSA-N	1	0	370.497	1.657	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1	ZINC001065212474	918087243	/nfs/dbraw/zinc/08/72/43/918087243.db2.gz	NOFJASMZNVQXIZ-BZUAXINKSA-N	1	0	351.491	1.273	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(NC(=O)/C=C\c2ccccc2C#N)CC1	ZINC000731479619	918155302	/nfs/dbraw/zinc/15/53/02/918155302.db2.gz	ZQYNZPKGMHDNLG-FPLPWBNLSA-N	1	0	354.454	1.630	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2ccccc2SCC#N)CC1	ZINC000731481006	918155528	/nfs/dbraw/zinc/15/55/28/918155528.db2.gz	MKIKAHWRRZRXNB-UHFFFAOYSA-N	1	0	374.510	1.975	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)C(=O)C(C)(C)C)C[C@@H]32)C1=O	ZINC001084907881	918212528	/nfs/dbraw/zinc/21/25/28/918212528.db2.gz	BTTLLPAWHAQKOA-XHSDSOJGSA-N	1	0	361.486	1.311	20	30		FDEDRO
O=C(CCc1nnc[nH]1)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001084915097	918281903	/nfs/dbraw/zinc/28/19/03/918281903.db2.gz	CCTBKLABFXMZRK-MOPGFXCFSA-N	1	0	363.465	1.712	20	30		FDEDRO
CCn1ncc(C(=O)N2CC[C@H]3CC[N@H+](Cc4cccc(C#N)c4)[C@H]3C2)n1	ZINC001084935288	918546413	/nfs/dbraw/zinc/54/64/13/918546413.db2.gz	USEHBBRNBUTLHH-MJGOQNOKSA-N	1	0	364.453	1.906	20	30		FDEDRO
O=C(CO[C@H]1CCOC1)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001084939104	918598879	/nfs/dbraw/zinc/59/88/79/918598879.db2.gz	RPLQPOLYDLOTQX-HKBOAZHASA-N	1	0	368.477	1.766	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCC3)[C@H]2C1	ZINC001084943058	918609143	/nfs/dbraw/zinc/60/91/43/918609143.db2.gz	DTLIXUKSVKPLHN-BDXSIMOUSA-N	1	0	361.486	1.123	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCNC3=O)C[C@@H]21	ZINC001084956324	918797110	/nfs/dbraw/zinc/79/71/10/918797110.db2.gz	HARZRFJFXXKTIV-GJYPPUQNSA-N	1	0	366.465	1.507	20	30		FDEDRO
COc1cc(C=NNC(=S)NCCC[NH+](C)C)ccc1OC(C)=O	ZINC000731930739	918851882	/nfs/dbraw/zinc/85/18/82/918851882.db2.gz	JVXONGHIBQMRNS-UHFFFAOYSA-N	1	0	352.460	1.370	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N(C)C3CC3)[C@H]2C1	ZINC001084958861	918857051	/nfs/dbraw/zinc/85/70/51/918857051.db2.gz	ZSVJHPUBXQEONC-APWZRJJASA-N	1	0	370.497	1.831	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cn4c(n3)C[C@@H](OC)CC4)C[C@@H]21	ZINC001084969814	918957753	/nfs/dbraw/zinc/95/77/53/918957753.db2.gz	ZKRZTOZUPPODBZ-RYRKJORJSA-N	1	0	356.470	1.404	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3coc(S(N)(=O)=O)c3)C[C@@H]21	ZINC001084974670	919037811	/nfs/dbraw/zinc/03/78/11/919037811.db2.gz	OFICMKBNNVKOGL-HIFRSBDPSA-N	1	0	367.471	1.430	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CCC(=O)NC4)C[C@@H]32)cc1	ZINC001084978376	919061983	/nfs/dbraw/zinc/06/19/83/919061983.db2.gz	NEBRTHJZHDBSJM-QRVBRYPASA-N	1	0	366.465	1.507	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C[C@@H]21	ZINC001084978538	919063200	/nfs/dbraw/zinc/06/32/00/919063200.db2.gz	XISXRBXAUIBGLD-SUMDDJOVSA-N	1	0	366.465	1.507	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)c4cn[nH]n4)C[C@@H]32)cc1	ZINC001084978759	919066637	/nfs/dbraw/zinc/06/66/37/919066637.db2.gz	QLUIFBMZRSPQSF-QAPCUYQASA-N	1	0	366.425	1.444	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ccnnc4C)C[C@@H]32)C1=O	ZINC001084981505	919108031	/nfs/dbraw/zinc/10/80/31/919108031.db2.gz	JXYXNMYZPNJLRG-SZMVWBNQSA-N	1	0	369.469	1.108	20	30		FDEDRO
C[NH+](C)Cc1cccc(NC(=O)NCCNC(=O)C2N=CC=CC2=O)c1	ZINC000732234234	919285834	/nfs/dbraw/zinc/28/58/34/919285834.db2.gz	YJWZMHCAXKFLCT-WUKNDPDISA-N	1	0	357.414	1.396	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)C[C@@H]21	ZINC001085000926	919452258	/nfs/dbraw/zinc/45/22/58/919452258.db2.gz	GWYGOQVJFNROSG-ZBFHGGJFSA-N	1	0	358.442	1.075	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CCCN3C(=O)CNC3=O)[C@H]2C1	ZINC001085004726	919547992	/nfs/dbraw/zinc/54/79/92/919547992.db2.gz	FPWNJGNZQKWFSF-CABCVRRESA-N	1	0	362.474	1.063	20	30		FDEDRO
CN1C(=O)CC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@H]2C1	ZINC001085008580	919557916	/nfs/dbraw/zinc/55/79/16/919557916.db2.gz	GUDMUZFWHBSKHE-QYZOEREBSA-N	1	0	366.465	1.602	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(N4CCCC4)ncn3)C[C@@H]21	ZINC001085032571	919927242	/nfs/dbraw/zinc/92/72/42/919927242.db2.gz	NVVDITSQPZPTJD-AEFFLSMTSA-N	1	0	353.470	1.637	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CCN1C1CC1	ZINC000732664451	919943055	/nfs/dbraw/zinc/94/30/55/919943055.db2.gz	JPFNWKOYMLIMKL-PKOBYXMFSA-N	1	0	353.470	1.492	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4nc(C)c[nH]4)C[C@@H]32)C1=O	ZINC001085052339	920112710	/nfs/dbraw/zinc/11/27/10/920112710.db2.gz	CJGNJFRYURUXMW-JYJNAYRXSA-N	1	0	357.458	1.041	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cnn(C)c4)[C@H]3C2)nn1	ZINC001085053321	920124330	/nfs/dbraw/zinc/12/43/30/920124330.db2.gz	OSGMDKAISKLCEC-AEFFLSMTSA-N	1	0	369.473	1.324	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC(=O)N3)C[C@@H]21	ZINC001085055457	920183025	/nfs/dbraw/zinc/18/30/25/920183025.db2.gz	JKUSJHSKJCTXBM-MNEFBYGVSA-N	1	0	366.465	1.650	20	30		FDEDRO
Cc1nonc1CC(=O)N1CC[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@H]2C1	ZINC001085066473	920386899	/nfs/dbraw/zinc/38/68/99/920386899.db2.gz	ONTLOXBXWIWZQZ-MJGOQNOKSA-N	1	0	365.437	1.915	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C3CCC(C(=O)N(C)C)CC3)C[C@@H]21	ZINC001085073728	920517348	/nfs/dbraw/zinc/51/73/48/920517348.db2.gz	MBYIZKWDAABAQR-UGXKVIGPSA-N	1	0	359.514	1.827	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3nc4nc(C)cc(C)n4n3)C[C@@H]21	ZINC001085087291	920729006	/nfs/dbraw/zinc/72/90/06/920729006.db2.gz	IOMXSGKHFGGVNP-CVEARBPZSA-N	1	0	352.442	1.301	20	30		FDEDRO
COC(=O)CC[N@H+](CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O)C(C)C	ZINC000733184456	920765837	/nfs/dbraw/zinc/76/58/37/920765837.db2.gz	VFMDSKFETLMJTR-UHFFFAOYSA-N	1	0	372.425	1.553	20	30		FDEDRO
C[NH+](C)[C@H]1C[C@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C12CCC2	ZINC000823657803	921970093	/nfs/dbraw/zinc/97/00/93/921970093.db2.gz	USPBOUYWMMNVSZ-IRXDYDNUSA-N	1	0	364.453	1.929	20	30		FDEDRO
CCc1nnc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(C#N)c2)[nH]1	ZINC001085176566	922006588	/nfs/dbraw/zinc/00/65/88/922006588.db2.gz	MSOCLFSMFRISMY-KCPJHIHWSA-N	1	0	355.446	1.959	20	30		FDEDRO
Cn1ncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)s2)c1N	ZINC001085178618	922026785	/nfs/dbraw/zinc/02/67/85/922026785.db2.gz	LSFMJRONYRYRFK-HUUCEWRRSA-N	1	0	358.471	1.766	20	30		FDEDRO
Cn1cnc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(C#N)ccc2F)n1	ZINC001085190819	922120134	/nfs/dbraw/zinc/12/01/34/922120134.db2.gz	UZOUUERIWYOWSN-HZPDHXFCSA-N	1	0	356.405	1.657	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc[nH]c2CC)C1=O	ZINC001085189063	922141280	/nfs/dbraw/zinc/14/12/80/922141280.db2.gz	KCBCPOTUZBMTRQ-KZNAEPCWSA-N	1	0	358.486	1.995	20	30		FDEDRO
Cc1nnc(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)s2)[nH]1	ZINC001085195187	922353312	/nfs/dbraw/zinc/35/33/12/922353312.db2.gz	MFEUERFQOJAOIJ-HUUCEWRRSA-N	1	0	358.471	1.806	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3c2cncc(C#N)n2)CC[N@@H+]1C	ZINC001065934622	922507496	/nfs/dbraw/zinc/50/74/96/922507496.db2.gz	OTBAJAADDQCKCW-AGTSVGGPSA-N	1	0	368.485	1.552	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(c4ccc(C#N)cn4)C[C@H]3C2)CC[N@@H+]1C	ZINC001066079543	922550302	/nfs/dbraw/zinc/55/03/02/922550302.db2.gz	CLECNCLSUZXJNO-XWTMOSNGSA-N	1	0	353.470	1.578	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(c4cc(C)ncc4C#N)C[C@H]3C2)CC[N@@H+]1C	ZINC001066079621	922550916	/nfs/dbraw/zinc/55/09/16/922550916.db2.gz	HIORTGWHLAHLAK-ZSYWTGECSA-N	1	0	367.497	1.887	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C[NH+](CC)CC)CC1	ZINC001066217142	922609475	/nfs/dbraw/zinc/60/94/75/922609475.db2.gz	JBXRXXVTOTWIOE-KURKYZTESA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCCC1=O	ZINC001085201339	922662804	/nfs/dbraw/zinc/66/28/04/922662804.db2.gz	BEVRWLZZWKSHLY-TVFCKZIOSA-N	1	0	363.502	1.607	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)C1	ZINC001085202729	922671699	/nfs/dbraw/zinc/67/16/99/922671699.db2.gz	TXGXDTBSWYMTNU-UTRMSSBJSA-N	1	0	368.481	1.990	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)nc1	ZINC001085229739	922981961	/nfs/dbraw/zinc/98/19/61/922981961.db2.gz	IBAWIQZLMPZSFP-QRVBRYPASA-N	1	0	370.497	1.705	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC(=O)NC1	ZINC001085254170	923220923	/nfs/dbraw/zinc/22/09/23/923220923.db2.gz	UMVKACBGJUOSKX-JHJVBQTASA-N	1	0	358.280	1.438	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1nc2ccccn2c1=O	ZINC001085290494	923559275	/nfs/dbraw/zinc/55/92/75/923559275.db2.gz	LLSYLVNDZNFSOK-ZIAGYGMSSA-N	1	0	363.849	1.266	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCC(=O)NC2=O)cc1	ZINC001085293377	923611461	/nfs/dbraw/zinc/61/14/61/923611461.db2.gz	GYHXLPUFHHCOMN-BRWVUGGUSA-N	1	0	353.422	1.104	20	30		FDEDRO
Cc1nn[nH]c1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001085294216	923617911	/nfs/dbraw/zinc/61/79/11/923617911.db2.gz	YNOGYEPITGSPDZ-HZPDHXFCSA-N	1	0	356.405	1.955	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)CCC(=O)N1	ZINC001085321891	923871611	/nfs/dbraw/zinc/87/16/11/923871611.db2.gz	NYUBIVOFLQXSDD-JMSVASOKSA-N	1	0	358.280	1.581	20	30		FDEDRO
C[C@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)CCNC1=O	ZINC001085329830	923922571	/nfs/dbraw/zinc/92/25/71/923922571.db2.gz	HZKNQFZUNVYGSJ-HLIPFELVSA-N	1	0	354.454	1.601	20	30		FDEDRO
C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)CCNC1=O	ZINC001085330210	923926485	/nfs/dbraw/zinc/92/64/85/923926485.db2.gz	VFTUYFQMUIENMU-MBOZVWFJSA-N	1	0	354.454	1.601	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)c1	ZINC001085330413	923929708	/nfs/dbraw/zinc/92/97/08/923929708.db2.gz	GMAJHJZYDUCYIV-ZJPYXAASSA-N	1	0	370.453	1.108	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCNC2=O)cc1	ZINC001085356262	924157921	/nfs/dbraw/zinc/15/79/21/924157921.db2.gz	NLKXRJLISIVMBZ-KURKYZTESA-N	1	0	355.438	1.218	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccn(C)n2)nn1	ZINC001085358653	924171525	/nfs/dbraw/zinc/17/15/25/924171525.db2.gz	LTZPMTIGUAVZOI-HZPDHXFCSA-N	1	0	357.462	1.419	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C2CC(=O)NC(=O)C2)c1	ZINC001085362581	924257252	/nfs/dbraw/zinc/25/72/52/924257252.db2.gz	KYNQNSZDMLJZFD-IAGOWNOFSA-N	1	0	368.437	1.128	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC1=O	ZINC001085389120	924402450	/nfs/dbraw/zinc/40/24/50/924402450.db2.gz	SDISOGMJFVXGKO-RBSFLKMASA-N	1	0	358.442	1.166	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc(C3CC3)[nH]2)nc1	ZINC001085398396	924448243	/nfs/dbraw/zinc/44/82/43/924448243.db2.gz	FQMUPQNWHGRWKV-HZPDHXFCSA-N	1	0	364.453	1.889	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)CCNC(=O)C1N=CC=CC1=O)Cc1ccccc1	ZINC000735834728	924591511	/nfs/dbraw/zinc/59/15/11/924591511.db2.gz	GIPCQSOHPXDFQN-QBNCKDSPSA-N	1	0	370.453	1.192	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NCc2nocc2C)CC1	ZINC001085432923	924681317	/nfs/dbraw/zinc/68/13/17/924681317.db2.gz	XCSXVTBFDMFVEG-QZTJIDSGSA-N	1	0	358.486	1.845	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2cccc3nsnc32)CC1	ZINC000735940528	924686894	/nfs/dbraw/zinc/68/68/94/924686894.db2.gz	QYFTZSPMFZBALW-UHFFFAOYSA-N	1	0	358.423	1.518	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccn(C)c(=O)c1	ZINC001085600213	924954266	/nfs/dbraw/zinc/95/42/66/924954266.db2.gz	MWYUSIADCYVMGC-KURKYZTESA-N	1	0	359.470	1.399	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N(C)C[C@@H]2CCN2Cc2ccc(C#N)cc2)O1	ZINC001085670621	925036498	/nfs/dbraw/zinc/03/64/98/925036498.db2.gz	APAODQZRPMDMHE-AYOQOUSVSA-N	1	0	356.470	1.310	20	30		FDEDRO
C=CCn1nnn(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1=S	ZINC000738169059	925131815	/nfs/dbraw/zinc/13/18/15/925131815.db2.gz	DQLHZIVDWUJQDK-OAHLLOKOSA-N	1	0	351.524	1.054	20	30		FDEDRO
C=CC1(CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2n2ccnn2)CCCCC1	ZINC001129322756	925288375	/nfs/dbraw/zinc/28/83/75/925288375.db2.gz	XESLZXJLZLJYBE-SJORKVTESA-N	1	0	361.490	1.529	20	30		FDEDRO
C#CCSCCNC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000740071312	925333488	/nfs/dbraw/zinc/33/34/88/925333488.db2.gz	FCUPLDKCUUUKGW-GOSISDBHSA-N	1	0	360.527	1.641	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC001085867368	925340168	/nfs/dbraw/zinc/34/01/68/925340168.db2.gz	JWMZLUFZBUEOMP-JENIJYKNSA-N	1	0	356.470	1.710	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CCc2nc(-c3ccncc3)no2)CC1	ZINC000740737286	925420698	/nfs/dbraw/zinc/42/06/98/925420698.db2.gz	JJSQSSMYXASLMH-UHFFFAOYSA-N	1	0	353.426	1.668	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CSc2nnnn2C2CCCC2)CC1	ZINC000740737758	925422142	/nfs/dbraw/zinc/42/21/42/925422142.db2.gz	VVDJJRABAVZWLI-UHFFFAOYSA-N	1	0	362.503	1.484	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1	ZINC000740739198	925430028	/nfs/dbraw/zinc/43/00/28/925430028.db2.gz	ZARLISOBKHBUAZ-UHFFFAOYSA-N	1	0	368.412	1.589	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@]1(C)C[N@H+](CCCCCOC)CCO1	ZINC001108225836	925536960	/nfs/dbraw/zinc/53/69/60/925536960.db2.gz	ARTKTPHIGSDUJM-ZIFCJYIRSA-N	1	0	354.491	1.601	20	30		FDEDRO
CN(CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)C[C@H]1CCC[N@H+](C)C1	ZINC000741248730	925654744	/nfs/dbraw/zinc/65/47/44/925654744.db2.gz	BXEJBEXXYRGMJP-GOEBONIOSA-N	1	0	367.453	1.785	20	30		FDEDRO
CN(CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCC[N@H+](C)C1	ZINC000741248732	925654902	/nfs/dbraw/zinc/65/49/02/925654902.db2.gz	BXEJBEXXYRGMJP-ZBFHGGJFSA-N	1	0	367.453	1.785	20	30		FDEDRO
C[C@H]1CC(N=Nc2ccc(S(=O)(=O)N3CCCC3)cn2)CC[N@@H+]1C	ZINC000741460350	925776143	/nfs/dbraw/zinc/77/61/43/925776143.db2.gz	OGSUWTWGQKQDKW-ZDUSSCGKSA-N	1	0	351.476	1.748	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nnc(C3CC3)[nH]2)C1	ZINC001086089793	925938426	/nfs/dbraw/zinc/93/84/26/925938426.db2.gz	QPPGJOXEGUGHDG-BVUBDWEXSA-N	1	0	359.474	1.648	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)C1	ZINC001086088534	925942219	/nfs/dbraw/zinc/94/22/19/925942219.db2.gz	BREUDQUGFCZVLQ-NKGKWGDASA-N	1	0	354.454	1.457	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CCNc3cncc(C#N)n3)C2)CC[N@@H+]1C	ZINC001066393010	925963019	/nfs/dbraw/zinc/96/30/19/925963019.db2.gz	ADIRUXPMHOQHCR-BHYGNILZSA-N	1	0	356.474	1.729	20	30		FDEDRO
Cc1ccccc1C[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1	ZINC000742175476	925969262	/nfs/dbraw/zinc/96/92/62/925969262.db2.gz	UMEUYHSFOHVTQU-UHFFFAOYSA-N	1	0	370.478	1.836	20	30		FDEDRO
CCc1nc(C#N)cc(NCC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001066393739	925982031	/nfs/dbraw/zinc/98/20/31/925982031.db2.gz	LNXXSBNWMOBOLX-HLLBOEOZSA-N	1	0	370.501	1.901	20	30		FDEDRO
N#Cc1cc(S(N)(=O)=O)ccc1NC1CC[NH+](Cc2ccccn2)CC1	ZINC000742393132	926039231	/nfs/dbraw/zinc/03/92/31/926039231.db2.gz	GGAIKYRNYRHORV-UHFFFAOYSA-N	1	0	371.466	1.677	20	30		FDEDRO
N#Cc1cc(S(N)(=O)=O)ccc1NC1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000742392326	926040254	/nfs/dbraw/zinc/04/02/54/926040254.db2.gz	HTGGIWJPFFXYDP-OAHLLOKOSA-N	1	0	364.471	1.261	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(C#N)[nH]1	ZINC001006288697	926268797	/nfs/dbraw/zinc/26/87/97/926268797.db2.gz	UPXJVQDLWPQURL-WNOSKKOXSA-N	1	0	355.442	1.232	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nnc(C)n2CC)C1	ZINC001086223617	926340290	/nfs/dbraw/zinc/34/02/90/926340290.db2.gz	YYXKWRWJUSHYMK-DFGXFYAUSA-N	1	0	361.490	1.572	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1	ZINC000743491515	926378114	/nfs/dbraw/zinc/37/81/14/926378114.db2.gz	IYLRJBVNOVCMME-UHFFFAOYSA-N	1	0	363.483	1.154	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CCNS(=O)(=O)c2cccs2)CC1	ZINC000743491452	926378558	/nfs/dbraw/zinc/37/85/58/926378558.db2.gz	IEFNMDJCDCTIQQ-UHFFFAOYSA-N	1	0	369.512	1.020	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H](C)NC(=O)c2[nH]nc3ccccc32)CC1	ZINC000743492143	926378561	/nfs/dbraw/zinc/37/85/61/926378561.db2.gz	QIZWHOFQWVREIA-CQSZACIVSA-N	1	0	367.453	1.285	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2F)N2CCOCC2)CC1	ZINC000743492582	926379187	/nfs/dbraw/zinc/37/91/87/926379187.db2.gz	WEEDAWNTYJHAEU-HXUWFJFHSA-N	1	0	373.472	1.803	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)Cc2ccccc2C1	ZINC000743634458	926420138	/nfs/dbraw/zinc/42/01/38/926420138.db2.gz	RBXPWHFKMSTMGV-LJQANCHMSA-N	1	0	367.497	1.467	20	30		FDEDRO
N#CCOc1ccccc1C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000743765203	926464084	/nfs/dbraw/zinc/46/40/84/926464084.db2.gz	FWWFFDHWXIERAT-NRFANRHFSA-N	1	0	365.433	1.956	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCn2nc(C)cc2C)C1	ZINC001086369617	926866539	/nfs/dbraw/zinc/86/65/39/926866539.db2.gz	RHADGFOPMBSGJA-MKXGPGLRSA-N	1	0	360.502	1.966	20	30		FDEDRO
C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1	ZINC001108273042	927164801	/nfs/dbraw/zinc/16/48/01/927164801.db2.gz	WUYTVNKLXGIGGB-LMMKCTJWSA-N	1	0	362.474	1.071	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@]1(C)C[N@H+](CCCCCOC)CCO1	ZINC001108275120	927208667	/nfs/dbraw/zinc/20/86/67/927208667.db2.gz	XUJDUIWVBBGLQN-CMKODMSKSA-N	1	0	368.518	1.991	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H](NC(=O)CC[N@@H+](C)CC)CC1	ZINC001066540089	927397880	/nfs/dbraw/zinc/39/78/80/927397880.db2.gz	GAHBJAXAAJOVKG-KSZLIROESA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)CC[N@@H+](C)CCC)CC1	ZINC001066547535	927504978	/nfs/dbraw/zinc/50/49/78/927504978.db2.gz	GSHQXWPJHJRZEB-KSZLIROESA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1	ZINC001086480995	927517481	/nfs/dbraw/zinc/51/74/81/927517481.db2.gz	IXKVGJNCBMBSKX-DDBAPUKQSA-N	1	0	357.454	1.361	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C1	ZINC001086483357	927538965	/nfs/dbraw/zinc/53/89/65/927538965.db2.gz	YAVSAFKFKUHSJE-XQZMSQOBSA-N	1	0	361.486	1.215	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCn2cc(Cl)cn2)C1	ZINC001086483293	927539569	/nfs/dbraw/zinc/53/95/69/927539569.db2.gz	UVQUKGSMEAJOLD-MIGQKNRLSA-N	1	0	352.866	1.612	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)c1	ZINC000425316087	927899838	/nfs/dbraw/zinc/89/98/38/927899838.db2.gz	XPONBHVWXFLUPM-SFHVURJKSA-N	1	0	369.469	1.049	20	30		FDEDRO
Cc1ccc([C@H](CNC(=O)C(=O)Nc2cnn(CC#N)c2)[NH+](C)C)cc1	ZINC000746380634	927930310	/nfs/dbraw/zinc/93/03/10/927930310.db2.gz	DEIOGQCUQIWIDV-INIZCTEOSA-N	1	0	354.414	1.073	20	30		FDEDRO
C/C(=N\C#N)N(C)Cc1ccc(-n2nnc(-c3cccc(C[NH3+])c3)n2)nc1	ZINC001168876524	928156430	/nfs/dbraw/zinc/15/64/30/928156430.db2.gz	FKUVWXQQBUXBDO-LPYMAVHISA-N	1	0	361.413	1.514	20	30		FDEDRO
C#CCOCCOCC[NH2+][C@@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1	ZINC001168910725	928178879	/nfs/dbraw/zinc/17/88/79/928178879.db2.gz	ZVZDTCOKEBGLOS-GOSISDBHSA-N	1	0	360.454	1.442	20	30		FDEDRO
COc1nc(C(=NO)N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1-n1cnc(C)c1	ZINC001169124348	928281129	/nfs/dbraw/zinc/28/11/29/928281129.db2.gz	PZMHHASKJFTFGE-QDMKHBRRSA-N	1	0	370.457	1.935	20	30		FDEDRO
C#C[C@@H]1CCC[N@@H+]([C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1	ZINC001169206350	928343448	/nfs/dbraw/zinc/34/34/48/928343448.db2.gz	IFFNDOUBLZVWEH-JKSUJKDBSA-N	1	0	371.485	1.338	20	30		FDEDRO
N#Cc1cccc2c(NCc3ncn4c3C[NH2+]CCC4)nc(Cl)nc12	ZINC001169241430	928370485	/nfs/dbraw/zinc/37/04/85/928370485.db2.gz	UDUHXFWVUBDELU-UHFFFAOYSA-N	1	0	353.817	1.879	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cccc3[nH]cnc32)[C@@H](n2ccnn2)C1	ZINC001129337325	928761916	/nfs/dbraw/zinc/76/19/16/928761916.db2.gz	BPQVTRKUXSMNRK-SJORKVTESA-N	1	0	365.441	1.776	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc(CC)nn2C)[C@@H](n2ccnn2)C1	ZINC001129342057	928853717	/nfs/dbraw/zinc/85/37/17/928853717.db2.gz	AOYXNMWPOSGYLL-WBVHZDCISA-N	1	0	357.462	1.196	20	30		FDEDRO
CN(C[C@@H](O)C[NH+]1CCC(C#N)(c2ccccn2)CC1)CC(F)(F)F	ZINC001169746025	928881495	/nfs/dbraw/zinc/88/14/95/928881495.db2.gz	WWAYPEQQNUBSOG-CQSZACIVSA-N	1	0	356.392	1.794	20	30		FDEDRO
COC(=O)n1ncc(C#N)c1Nc1nc(C2CC[NH2+]CC2)cc2nc[nH]c21	ZINC001169961359	928979828	/nfs/dbraw/zinc/97/98/28/928979828.db2.gz	OAXWDAADVJSQGY-UHFFFAOYSA-N	1	0	366.385	1.851	20	30		FDEDRO
N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC[C@H]1CCCO1	ZINC001108951907	929567812	/nfs/dbraw/zinc/56/78/12/929567812.db2.gz	KJKUVLWQJDVWNJ-WCVJEAGWSA-N	1	0	353.488	1.160	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H]2Cn2cnc3ccccc32)CC1	ZINC000769921832	929737466	/nfs/dbraw/zinc/73/74/66/929737466.db2.gz	ZDGJOVOTTXGMKP-SFHVURJKSA-N	1	0	365.481	1.278	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCNC(C)=O)cc1	ZINC001109587764	929869036	/nfs/dbraw/zinc/86/90/36/929869036.db2.gz	YMRNCWGJXRYENX-AABGKKOBSA-N	1	0	369.465	1.156	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3cnn(C)c3C1)C2	ZINC001109641838	929978387	/nfs/dbraw/zinc/97/83/87/929978387.db2.gz	YPOCGMYJOYRNDZ-BGTYHANMSA-N	1	0	358.486	1.449	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2	ZINC001109651026	930013616	/nfs/dbraw/zinc/01/36/16/930013616.db2.gz	FPDJMEBDLXEYLT-SQNIBIBYSA-N	1	0	374.529	1.250	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2	ZINC001109672323	930110408	/nfs/dbraw/zinc/11/04/08/930110408.db2.gz	BVPNIUDYAMZBPP-BDXSIMOUSA-N	1	0	364.534	1.473	20	30		FDEDRO
C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](O)Cn2cccn2)CC1	ZINC001109681984	930122469	/nfs/dbraw/zinc/12/24/69/930122469.db2.gz	OQJAVMCHEDGQAN-BDXSIMOUSA-N	1	0	358.486	1.712	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1C(=O)CNC1=O	ZINC001109679029	930136798	/nfs/dbraw/zinc/13/67/98/930136798.db2.gz	PJJGEMRCZKHMPU-QZNHQWIBSA-N	1	0	362.474	1.252	20	30		FDEDRO
COCC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CC[C@@H](C)O1)C[C@H](C)O2	ZINC001111550953	930191699	/nfs/dbraw/zinc/19/16/99/930191699.db2.gz	ORHBSPNFXCXMJE-FGTMMUONSA-N	1	0	364.486	1.286	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH]cn1)C2	ZINC001109762898	930357238	/nfs/dbraw/zinc/35/72/38/930357238.db2.gz	GLWMUTUWATZRGI-BGTYHANMSA-N	1	0	373.501	1.487	20	30		FDEDRO
C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(F)cc1OCC#N	ZINC000771180106	930516832	/nfs/dbraw/zinc/51/68/32/930516832.db2.gz	QULCDIANPFJCHF-AWEZNQCLSA-N	1	0	363.437	1.876	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC3(C1)NC(=O)NC3=O)C2	ZINC001109827889	930532867	/nfs/dbraw/zinc/53/28/67/930532867.db2.gz	AVBIYXVDECZVMC-MZEPVFHVSA-N	1	0	374.485	1.443	20	30		FDEDRO
CNC(=O)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)CC1	ZINC001109837184	930571795	/nfs/dbraw/zinc/57/17/95/930571795.db2.gz	WAVAJIZGKBMAFO-IKGGRYGDSA-N	1	0	352.438	1.306	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)CC1CCCC1)C2	ZINC001109843708	930577358	/nfs/dbraw/zinc/57/73/58/930577358.db2.gz	YNLPEEYRYJKJPK-SQNIBIBYSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH]c(=O)c1=O)C2	ZINC001109849443	930590409	/nfs/dbraw/zinc/59/04/09/930590409.db2.gz	SBHFYAXQWRSDFS-WCVJEAGWSA-N	1	0	360.458	1.003	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CCCCCC)C2	ZINC001109857976	930611038	/nfs/dbraw/zinc/61/10/38/930611038.db2.gz	MYWBKSLPVHKWLF-SQNIBIBYSA-N	1	0	364.534	1.522	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CC(=O)N(C)C1=O)C2	ZINC001109971788	930949220	/nfs/dbraw/zinc/94/92/20/930949220.db2.gz	JUCUAJYVFQHSBD-PMPSAXMXSA-N	1	0	364.490	1.572	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]c(=O)[nH]c(=O)c1OC)C2	ZINC001109972044	930950370	/nfs/dbraw/zinc/95/03/70/930950370.db2.gz	VMHWEEHBLJACQR-NDBYEHHHSA-N	1	0	362.430	1.586	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)NCCN2CCc3ccccc32)CC1	ZINC000772134638	931092967	/nfs/dbraw/zinc/09/29/67/931092967.db2.gz	VTRNNQJDWOXGNZ-UHFFFAOYSA-N	1	0	369.465	1.054	20	30		FDEDRO
CC[NH+](CC)CCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000772191218	931140772	/nfs/dbraw/zinc/14/07/72/931140772.db2.gz	MQYLZQOWQRRBDU-ZDUSSCGKSA-N	1	0	353.444	1.110	20	30		FDEDRO
CC[NH+](CC)CCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000772191217	931141122	/nfs/dbraw/zinc/14/11/22/931141122.db2.gz	MQYLZQOWQRRBDU-CYBMUJFWSA-N	1	0	353.444	1.110	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cc(N3C[C@H](C)O[C@@H](C)C3)ccn2)CC1	ZINC000772297687	931182744	/nfs/dbraw/zinc/18/27/44/931182744.db2.gz	DCXNPJYTUIBCHX-IRXDYDNUSA-N	1	0	370.497	1.913	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnn(C)n1)C2	ZINC001112544636	931420235	/nfs/dbraw/zinc/42/02/35/931420235.db2.gz	OZMZDORFNDOHHM-WFASDCNBSA-N	1	0	368.279	1.556	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn(CCC)nn1)C2	ZINC001112552757	931530072	/nfs/dbraw/zinc/53/00/72/931530072.db2.gz	NOINKPJBUVPAND-LPHOPBHVSA-N	1	0	361.490	1.723	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn(C[C@@H]3CCOC3)nn1)C2	ZINC001112553618	931534819	/nfs/dbraw/zinc/53/48/19/931534819.db2.gz	AENQDQCVBJCKOH-ZWOKBUDYSA-N	1	0	371.485	1.170	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1nocc1C)C2	ZINC001112558137	931550678	/nfs/dbraw/zinc/55/06/78/931550678.db2.gz	RKCPLTZKJWDJHU-DOXZYTNZSA-N	1	0	360.458	1.506	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1)c1cccnc1	ZINC001112564570	931608618	/nfs/dbraw/zinc/60/86/18/931608618.db2.gz	BRZIXIOUEUFSRX-SYNHAJSKSA-N	1	0	369.469	1.043	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCn3cncn3)C2)cn1	ZINC001112566076	931617669	/nfs/dbraw/zinc/61/76/69/931617669.db2.gz	IRKQVADDMDVJIG-PXNSSMCTSA-N	1	0	364.453	1.187	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@]1(C)CCS(=O)(=O)N1)C2	ZINC001112569904	931662967	/nfs/dbraw/zinc/66/29/67/931662967.db2.gz	USWZQTNNXILAEQ-SZMVWBNQSA-N	1	0	369.531	1.253	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1nc3nc(C)cc(C)n3n1)C2	ZINC001112573234	931673913	/nfs/dbraw/zinc/67/39/13/931673913.db2.gz	RMUUMJLJSKSWDI-KXBFYZLASA-N	1	0	354.458	1.759	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(=O)n(CCCC)n1)C2	ZINC001112577092	931690070	/nfs/dbraw/zinc/69/00/70/931690070.db2.gz	ZNOLJQRPCBSSRF-JXFKEZNVSA-N	1	0	356.470	1.509	20	30		FDEDRO
C[C@H](OC(=O)c1ccc(C#N)[nH]1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000786093558	931746964	/nfs/dbraw/zinc/74/69/64/931746964.db2.gz	YBPFZJPGYTUKLB-YOEHRIQHSA-N	1	0	366.421	1.822	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C1CC1)N1CCOCC1)C2	ZINC001112582946	931751461	/nfs/dbraw/zinc/75/14/61/931751461.db2.gz	WTYDLQAOMZRSQV-ZVDOUQERSA-N	1	0	361.530	1.892	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCS1(=O)=O)C2	ZINC001112582876	931751545	/nfs/dbraw/zinc/75/15/45/931751545.db2.gz	SSZKDPWBONIQRQ-LZWOXQAQSA-N	1	0	360.907	1.534	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CCN(C(=O)CCC)CC1)C2	ZINC001112583717	931757855	/nfs/dbraw/zinc/75/78/55/931757855.db2.gz	GUJVRSGVFFGMES-RXVVDRJESA-N	1	0	359.514	1.877	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)c1ccccn1)C2	ZINC001112584391	931782801	/nfs/dbraw/zinc/78/28/01/931782801.db2.gz	PPMJKHYBOBFMMD-JXFKEZNVSA-N	1	0	356.470	1.606	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCCCC)C1	ZINC001112588955	931801046	/nfs/dbraw/zinc/80/10/46/931801046.db2.gz	DUXAABMSFCESGW-ZWOKBUDYSA-N	1	0	365.518	1.712	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)C(=O)NCC=C)C1	ZINC001112589101	931801814	/nfs/dbraw/zinc/80/18/14/931801814.db2.gz	LIXBYIRCIPOIJQ-ZWOKBUDYSA-N	1	0	363.502	1.488	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCc2cnn(C)c2)C1	ZINC001112589651	931807579	/nfs/dbraw/zinc/80/75/79/931807579.db2.gz	LEFTWOBWCYDOOB-QRFRQXIXSA-N	1	0	360.502	1.772	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)c1cnn(C)c1)C2	ZINC001112593770	931859115	/nfs/dbraw/zinc/85/91/15/931859115.db2.gz	LQAJQXNMINVZPT-QRFRQXIXSA-N	1	0	360.502	1.945	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1)C1CCCC1	ZINC000787173840	932211005	/nfs/dbraw/zinc/21/10/05/932211005.db2.gz	GNUAYODHVRBCIV-UHFFFAOYSA-N	1	0	371.481	1.648	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000787908124	932460813	/nfs/dbraw/zinc/46/08/13/932460813.db2.gz	CHTHBDGQIQDPMV-BETUJISGSA-N	1	0	374.323	1.886	20	30		FDEDRO
N#CCOc1ccccc1C(=O)O[C@H]1CCCN(c2cc[nH+]c(N)n2)C1	ZINC000788065346	932536493	/nfs/dbraw/zinc/53/64/93/932536493.db2.gz	BLLMJJFZANVDDB-ZDUSSCGKSA-N	1	0	353.382	1.787	20	30		FDEDRO
N#CCOc1ccc(CC(=O)O[C@H]2CCCN(c3cc[nH+]c(N)n3)C2)cc1	ZINC000788071103	932544920	/nfs/dbraw/zinc/54/49/20/932544920.db2.gz	NZUROBYCXHVDKM-INIZCTEOSA-N	1	0	367.409	1.716	20	30		FDEDRO
CCn1c(N=NC2CC[NH+](CCC(=O)OC)CC2)nc2ccccc2c1=O	ZINC000788702999	932788094	/nfs/dbraw/zinc/78/80/94/932788094.db2.gz	ZIBCJMJUBNZELB-UHFFFAOYSA-N	1	0	371.441	1.843	20	30		FDEDRO
N#Cc1ccccc1CN1C(=O)CN(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)C1=O	ZINC000789509495	933064606	/nfs/dbraw/zinc/06/46/06/933064606.db2.gz	UOSKZBQRRYCAQO-ZWKOTPCHSA-N	1	0	368.437	1.923	20	30		FDEDRO
CC(C)(C#N)CS(=O)(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1	ZINC000790045909	933309807	/nfs/dbraw/zinc/30/98/07/933309807.db2.gz	JHTBEBKIINTKAM-MRXNPFEDSA-N	1	0	351.472	1.222	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(S(=O)(=O)CC(C)(C)C#N)CC2)CC1	ZINC000790042110	933310868	/nfs/dbraw/zinc/31/08/68/933310868.db2.gz	VZRHRBSXNWUEQN-UHFFFAOYSA-N	1	0	356.536	1.356	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)NC1CC[NH+](C2CCCCC2)CC1	ZINC000746870964	933316626	/nfs/dbraw/zinc/31/66/26/933316626.db2.gz	JNYOMNLJOXMUCH-VXPUYCOJSA-N	1	0	374.485	1.816	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NCc1cccc(C[N@@H+](C)CC)c1)[C@H]1CCCO1	ZINC000793872169	938332125	/nfs/dbraw/zinc/33/21/25/938332125.db2.gz	XTEUUXXKXVKKGM-ZWKOTPCHSA-N	1	0	357.454	1.052	20	30		FDEDRO
N#Cc1ccc(C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)o1	ZINC000794307086	938383406	/nfs/dbraw/zinc/38/34/06/938383406.db2.gz	DPSDFOKXBGUCPE-MRXNPFEDSA-N	1	0	366.421	1.779	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC/C=C\CC)C[C@@H]2n2ccnn2)nc1	ZINC001129393904	938401433	/nfs/dbraw/zinc/40/14/33/938401433.db2.gz	WTPCWQZWRDOUDT-WYNBNGFRSA-N	1	0	364.453	1.666	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCC(C)C)C[C@@H]2n2ccnn2)cn1	ZINC001129396794	938402203	/nfs/dbraw/zinc/40/22/03/938402203.db2.gz	MDTOWHALYAWZAD-MOPGFXCFSA-N	1	0	366.469	1.746	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)Cc2cccc(OC)c2)[C@@H](n2ccnn2)C1	ZINC001129421706	938411521	/nfs/dbraw/zinc/41/15/21/938411521.db2.gz	CFRVJVDUXCUMRH-MOPGFXCFSA-N	1	0	369.469	1.837	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)COc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129400283	938415387	/nfs/dbraw/zinc/41/53/87/938415387.db2.gz	CUBWFQNUCRBFIZ-MSOLQXFVSA-N	1	0	355.442	1.665	20	30		FDEDRO
O=C(CC#Cc1ccccc1)N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1n1ccnn1	ZINC001129449599	938419899	/nfs/dbraw/zinc/41/98/99/938419899.db2.gz	SAXSCNZLUPNEOL-UXHICEINSA-N	1	0	363.465	1.862	20	30		FDEDRO
CCOCC[N@@H+]1C[C@@H](NC(=O)CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129449664	938420354	/nfs/dbraw/zinc/42/03/54/938420354.db2.gz	UVWVTJMCYSHEGW-MOPGFXCFSA-N	1	0	367.453	1.098	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)CCCn2cccc2)[C@@H](n2ccnn2)C1	ZINC001129454071	938421380	/nfs/dbraw/zinc/42/13/80/938421380.db2.gz	VKMYNOIYZZPBSM-MSOLQXFVSA-N	1	0	356.474	1.868	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@@H]1n1ccnn1	ZINC001129482179	938434287	/nfs/dbraw/zinc/43/42/87/938434287.db2.gz	RRQOHQQUWYWGFJ-CFVMTHIKSA-N	1	0	369.416	1.256	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(CC)n(C)n2)[C@@H](n2ccnn2)C1	ZINC001129490323	938441785	/nfs/dbraw/zinc/44/17/85/938441785.db2.gz	BYILPGIDDVBJRF-QGTPRVQTSA-N	1	0	371.489	1.584	20	30		FDEDRO
O=C(C1CCC1)N1C[C@@H]([NH2+]CC#Cc2ccc(F)cc2)[C@@H](n2ccnn2)C1	ZINC001129511349	938447308	/nfs/dbraw/zinc/44/73/08/938447308.db2.gz	PEZWLZAIELBQPP-MOPGFXCFSA-N	1	0	367.428	1.611	20	30		FDEDRO
CC(C)C(=O)N1C[C@@H]([NH2+]CC#Cc2ccc(F)cc2)[C@@H](n2ccnn2)C1	ZINC001129582329	938460393	/nfs/dbraw/zinc/46/03/93/938460393.db2.gz	BXNPNPLIXYNTPO-MSOLQXFVSA-N	1	0	355.417	1.466	20	30		FDEDRO
N#CCSCC(=O)N1C[C@@H]([NH2+]CCc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129603678	938462838	/nfs/dbraw/zinc/46/28/38/938462838.db2.gz	FIEHZKPCMXQUJU-SJORKVTESA-N	1	0	370.482	1.119	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1	ZINC001086624249	938475252	/nfs/dbraw/zinc/47/52/52/938475252.db2.gz	VCRUSOSBEKBTMX-FUHWJXTLSA-N	1	0	352.438	1.888	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]Cc2ccnc(Cl)c2)[C@@H](n2ccnn2)C1	ZINC001129666905	938478704	/nfs/dbraw/zinc/47/87/04/938478704.db2.gz	MBKAMGGKEIQTMB-CABCVRRESA-N	1	0	360.849	1.834	20	30		FDEDRO
Cc1ccc(OCC[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2n2ccnn2)cc1	ZINC001129690813	938486510	/nfs/dbraw/zinc/48/65/10/938486510.db2.gz	NQIFOQSJCWUBMA-NXHRZFHOSA-N	1	0	368.441	1.167	20	30		FDEDRO
C#CCNc1nc(NCC[C@H]2CCOC2)[nH+]c(NCC[C@H]2CCOC2)n1	ZINC000804613491	938488805	/nfs/dbraw/zinc/48/88/05/938488805.db2.gz	TUIGXJJRWCYWPL-GJZGRUSLSA-N	1	0	360.462	1.594	20	30		FDEDRO
CO[C@H](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H](n2ccnn2)C1	ZINC001129675738	938490400	/nfs/dbraw/zinc/49/04/00/938490400.db2.gz	WPYPZJQJYUKWPF-OLMNPRSZSA-N	1	0	368.441	1.116	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]([NH2+]Cc2c(C)cccc2C)[C@@H](n2ccnn2)C1	ZINC001129677425	938490726	/nfs/dbraw/zinc/49/07/26/938490726.db2.gz	HDZDENCSOYFPSM-MOPGFXCFSA-N	1	0	369.469	1.639	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]CCCc2ccsc2)[C@@H](n2ccnn2)C1	ZINC001129677320	938490749	/nfs/dbraw/zinc/49/07/49/938490749.db2.gz	DWIGITYADAMQKL-IMJJTQAJSA-N	1	0	358.471	1.474	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]CCCCc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129678039	938490964	/nfs/dbraw/zinc/49/09/64/938490964.db2.gz	SCTIGGOCILNJNB-QRQLOZEOSA-N	1	0	366.469	1.802	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)COC)C[C@@H]1n1ccnn1	ZINC001129677810	938491011	/nfs/dbraw/zinc/49/10/11/938491011.db2.gz	ODMIQDQGBWWNEL-BBWFWOEESA-N	1	0	351.495	1.873	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)cc2)[C@@H](n2ccnn2)C1	ZINC001129678116	938491058	/nfs/dbraw/zinc/49/10/58/938491058.db2.gz	WAYYROKAWPJPOV-SJORKVTESA-N	1	0	359.405	1.162	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H]([NH2+]Cc2cccnc2C)[C@@H](n2ccnn2)C1	ZINC001129756578	938501628	/nfs/dbraw/zinc/50/16/28/938501628.db2.gz	ANODGKRZHXPQRJ-MOPGFXCFSA-N	1	0	366.469	1.717	20	30		FDEDRO
C=C(Br)C[NH2+]CCNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C	ZINC001129797914	938510786	/nfs/dbraw/zinc/51/07/86/938510786.db2.gz	PGHAGBVGARWWEJ-CHWSQXEVSA-N	1	0	371.279	1.502	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H]([NH2+]Cc2cccc(F)c2)[C@@H](n2ccnn2)C1	ZINC001129822173	938521915	/nfs/dbraw/zinc/52/19/15/938521915.db2.gz	IPUCQHVJQULMGU-MSOLQXFVSA-N	1	0	355.417	1.618	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2coc(C(C)(C)C)n2)C[C@@H]1n1ccnn1	ZINC001129829288	938523746	/nfs/dbraw/zinc/52/37/46/938523746.db2.gz	FGXJSKIZPDYSJM-HIFRSBDPSA-N	1	0	356.430	1.242	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CCCC2CCC2)[C@@H](n2ccnn2)C1	ZINC001129829888	938523920	/nfs/dbraw/zinc/52/39/20/938523920.db2.gz	OOJIUBYFKWHOOU-NXHRZFHOSA-N	1	0	359.474	1.238	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(CC(C)C)n2)C[C@@H]1n1ccnn1	ZINC001129850054	938527197	/nfs/dbraw/zinc/52/71/97/938527197.db2.gz	NVXDJONVKALXLK-SJORKVTESA-N	1	0	371.489	1.821	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@@H]1n1ccnn1	ZINC001129863956	938531986	/nfs/dbraw/zinc/53/19/86/938531986.db2.gz	MOSPICHZNHVWIR-ZMMAXQRCSA-N	1	0	361.490	1.627	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2ccc(C)cc2)[C@@H](n2ccnn2)C1	ZINC001129838134	938535209	/nfs/dbraw/zinc/53/52/09/938535209.db2.gz	RSQRTRZSMIKRBC-QRQLOZEOSA-N	1	0	367.453	1.167	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCCCCCC)C[C@@H]1n1ccnn1	ZINC001129838347	938535214	/nfs/dbraw/zinc/53/52/14/938535214.db2.gz	VQJKAHLJPJFSQG-KURKYZTESA-N	1	0	361.490	1.628	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2sc(Cl)nc2C)C[C@@H]1n1ccnn1	ZINC001129879221	938536501	/nfs/dbraw/zinc/53/65/01/938536501.db2.gz	XUCQPKVNANQNBX-NEPJUHHUSA-N	1	0	364.862	1.375	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(OCC)nc2)C[C@@H]1n1ccnn1	ZINC001129884040	938538457	/nfs/dbraw/zinc/53/84/57/938538457.db2.gz	HZINCVJTQGNJQO-SJORKVTESA-N	1	0	370.457	1.693	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccnn2CCC)C[C@@H]1n1ccnn1	ZINC001129875067	938546267	/nfs/dbraw/zinc/54/62/67/938546267.db2.gz	XCBHTVCGGIBRMP-WBVHZDCISA-N	1	0	357.462	1.506	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2ccn(C)n2)C[C@@H]1n1ccnn1	ZINC001129876105	938546406	/nfs/dbraw/zinc/54/64/06/938546406.db2.gz	BEKUXYZTINBPTD-NXHRZFHOSA-N	1	0	371.489	1.341	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccccc2CC)C[C@@H]1n1ccnn1	ZINC001129905069	938548182	/nfs/dbraw/zinc/54/81/82/938548182.db2.gz	QNNRBGAARMHATN-MOPGFXCFSA-N	1	0	351.454	1.448	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2c(C)noc2C)C[C@@H]1n1ccnn1	ZINC001129914783	938552575	/nfs/dbraw/zinc/55/25/75/938552575.db2.gz	HHKXDFHFVJRFOF-XKQJLSEDSA-N	1	0	370.457	1.442	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2[nH]c(=O)[nH]c2C)C[C@@H]1n1ccnn1	ZINC001129900083	938559780	/nfs/dbraw/zinc/55/97/80/938559780.db2.gz	ZVGMQNJRSQOPAZ-BNOWGMLFSA-N	1	0	359.434	1.025	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnc(Cl)n2C)C[C@@H]1n1ccnn1	ZINC001129934095	938563294	/nfs/dbraw/zinc/56/32/94/938563294.db2.gz	OGPIVXCRLWFKPH-OCCSQVGLSA-N	1	0	363.853	1.287	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ncc(Cl)s2)C[C@@H]1n1ccnn1	ZINC001129936953	938564435	/nfs/dbraw/zinc/56/44/35/938564435.db2.gz	ZABOFMSQFPUTDX-MNOVXSKESA-N	1	0	350.835	1.067	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2nccc3occc32)C[C@@H]1n1ccnn1	ZINC001129940974	938565922	/nfs/dbraw/zinc/56/59/22/938565922.db2.gz	CQYZWMOEWTVINB-CABCVRRESA-N	1	0	350.382	1.098	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnc(CC3CC3)s2)C[C@@H]1n1ccnn1	ZINC001129942691	938567010	/nfs/dbraw/zinc/56/70/10/938567010.db2.gz	ASYJOZAPUVIMGO-CABCVRRESA-N	1	0	370.482	1.366	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2c(C)cccc2Cl)C[C@@H]1n1ccnn1	ZINC001129923472	938569249	/nfs/dbraw/zinc/56/92/49/938569249.db2.gz	DRGUEJRPKRVEAD-MSOLQXFVSA-N	1	0	371.872	1.847	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2coc(OCC)n2)C[C@@H]1n1ccnn1	ZINC001129923831	938569691	/nfs/dbraw/zinc/56/96/91/938569691.db2.gz	ZARFWUKLEFGOHN-HIFRSBDPSA-N	1	0	360.418	1.286	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2cccnc2)C[C@@H]1n1ccnn1	ZINC001129924596	938570326	/nfs/dbraw/zinc/57/03/26/938570326.db2.gz	BTNFOBJRQRPSFC-MSOLQXFVSA-N	1	0	354.458	1.614	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3ccc(C)cc32)C[C@@H]1n1ccnn1	ZINC001129925020	938570700	/nfs/dbraw/zinc/57/07/00/938570700.db2.gz	PVFJADQOHXUION-SJORKVTESA-N	1	0	363.425	1.141	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc(COC)c2)C[C@@H]1n1ccnn1	ZINC001129928744	938572181	/nfs/dbraw/zinc/57/21/81/938572181.db2.gz	JHOMYYFQEVDELX-MSOLQXFVSA-N	1	0	355.442	1.656	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCOC2)[C@@H](n2ccnn2)C1	ZINC001129972712	938591554	/nfs/dbraw/zinc/59/15/54/938591554.db2.gz	KCGOPWXNVUYBDQ-KSZLIROESA-N	1	0	359.474	1.240	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@@H]1n1ccnn1	ZINC001129978057	938593720	/nfs/dbraw/zinc/59/37/20/938593720.db2.gz	PFVHGLHNJGSHDK-RYRKJORJSA-N	1	0	365.453	1.495	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H]([NH2+]CCC[C@@H](C)O)[C@@H](n3ccnn3)C2)CC1	ZINC001129994641	938603481	/nfs/dbraw/zinc/60/34/81/938603481.db2.gz	YZMFKUWXQBXQEV-NXHRZFHOSA-N	1	0	361.490	1.527	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H]([NH2+]CCOCC(C)C)[C@@H](n2ccnn2)C1	ZINC001129995686	938604468	/nfs/dbraw/zinc/60/44/68/938604468.db2.gz	CZNHBQNMLIGDOE-AOIWGVFYSA-N	1	0	363.506	1.895	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H]([NH2+]C[C@@H](CC)OC)[C@@H](n3ccnn3)C2)CC1	ZINC001129999112	938606461	/nfs/dbraw/zinc/60/64/61/938606461.db2.gz	LASLXAIJVAECEO-ZACQAIPSSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCC[C@@](C)(O)c2ccccc2)CC1	ZINC000804893680	938610959	/nfs/dbraw/zinc/61/09/59/938610959.db2.gz	HBJPGIDTOMMVNT-HXUWFJFHSA-N	1	0	359.470	1.167	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCc2ccc(OC)cc2)C[C@@H]1n1ccnn1	ZINC001129988546	938611557	/nfs/dbraw/zinc/61/15/57/938611557.db2.gz	XOVJMCDEWYYHAM-MOPGFXCFSA-N	1	0	369.469	1.837	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2ccnc2)C[C@@H]1n1ccnn1	ZINC001130023139	938621179	/nfs/dbraw/zinc/62/11/79/938621179.db2.gz	XFTPJVXBHKXRAM-ZACQAIPSSA-N	1	0	357.462	1.434	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C(C)(F)F)C[C@@H]1n1ccnn1	ZINC001130009328	938626115	/nfs/dbraw/zinc/62/61/15/938626115.db2.gz	JOYASKJPADSCAP-MCIONIFRSA-N	1	0	357.405	1.114	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cn(CC)nc2C)C[C@@H]1n1ccnn1	ZINC001130024237	938628214	/nfs/dbraw/zinc/62/82/14/938628214.db2.gz	OAVGHVBRBWBNMW-SJORKVTESA-N	1	0	357.462	1.424	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2cccs2)C[C@@H]1n1ccnn1	ZINC001130026149	938629085	/nfs/dbraw/zinc/62/90/85/938629085.db2.gz	CUICFZKFWVGFLO-OIISXLGYSA-N	1	0	357.483	1.583	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c(C)noc2C)C[C@@H]1n1ccnn1	ZINC001130030861	938632473	/nfs/dbraw/zinc/63/24/73/938632473.db2.gz	VGWNURZGFGCZRT-XWIAVFTESA-N	1	0	370.457	1.127	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C[C@@H]1n1ccnn1	ZINC001130034429	938634611	/nfs/dbraw/zinc/63/46/11/938634611.db2.gz	PFFBHQKTCILDOA-VQHPVUNQSA-N	1	0	369.494	1.817	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCc2nc(C3CC3)no2)C[C@@H]1n1ccnn1	ZINC001130034553	938634613	/nfs/dbraw/zinc/63/46/13/938634613.db2.gz	SGOMXIMPMSIFIN-CABCVRRESA-N	1	0	371.445	1.089	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCO[C@H]2C(=C)C)C[C@@H]1n1ccnn1	ZINC001130034804	938635052	/nfs/dbraw/zinc/63/50/52/938635052.db2.gz	YOUBFOBTAYCYEK-RDGPPVDQSA-N	1	0	373.501	1.957	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC=C(C)C)[C@@H](n2ccnn2)C1	ZINC001130038116	938636054	/nfs/dbraw/zinc/63/60/54/938636054.db2.gz	MDXMLRTXLJCIPX-MHORFTMASA-N	1	0	359.474	1.567	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2sc(CC)nc2C)C[C@@H]1n1ccnn1	ZINC001130038161	938636306	/nfs/dbraw/zinc/63/63/06/938636306.db2.gz	PFUUYLYTOBLBME-KGLIPLIRSA-N	1	0	358.471	1.284	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C2(CCOCC)CCCC2)C[C@@H]1n1ccnn1	ZINC001130057062	938641522	/nfs/dbraw/zinc/64/15/22/938641522.db2.gz	HBZPKJMHTFJDJV-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnc(C)nc2C)C[C@@H]1n1ccnn1	ZINC001130047059	938645916	/nfs/dbraw/zinc/64/59/16/938645916.db2.gz	UJZQKGRJDIEMQR-VHSSKADRSA-N	1	0	369.473	1.695	20	30		FDEDRO
CCC(CC)(CC)C(=O)N1C[C@@H]([NH2+]CC#CCOC)[C@@H](n2ccnn2)C1	ZINC001130062694	938650981	/nfs/dbraw/zinc/65/09/81/938650981.db2.gz	RUOHXCDCMPAVNM-SJORKVTESA-N	1	0	361.490	1.486	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2cnn(C)c2)C[C@@H]1n1ccnn1	ZINC001130062766	938651029	/nfs/dbraw/zinc/65/10/29/938651029.db2.gz	WIUSIEDFTTVGCR-JQHSSLGASA-N	1	0	371.489	1.198	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c3ccccc3nn2C)C[C@@H]1n1ccnn1	ZINC001130070643	938658019	/nfs/dbraw/zinc/65/80/19/938658019.db2.gz	CDJMUYXQPCITHT-SJORKVTESA-N	1	0	365.441	1.396	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3n[nH]cc3C2)C[C@@H]1n1ccnn1	ZINC001130084033	938665565	/nfs/dbraw/zinc/66/55/65/938665565.db2.gz	VUYYDNJLNIMVTQ-QGTPRVQTSA-N	1	0	369.473	1.114	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn(C(C)C)nc2C)C[C@@H]1n1ccnn1	ZINC001130084025	938665599	/nfs/dbraw/zinc/66/55/99/938665599.db2.gz	VOXPYDBZHXAYJJ-SJORKVTESA-N	1	0	357.462	1.595	20	30		FDEDRO
C#CC[C@H](Cc1ccccc1)NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000805073621	938667982	/nfs/dbraw/zinc/66/79/82/938667982.db2.gz	QAXSLGOZDUNYRA-RTBURBONSA-N	1	0	370.497	1.508	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(OCCOC)cc2)C[C@@H]1n1ccnn1	ZINC001130074898	938669116	/nfs/dbraw/zinc/66/91/16/938669116.db2.gz	JAYAANCHXLYAKP-MSOLQXFVSA-N	1	0	371.441	1.145	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCCCC(N)=O)C[C@@H]1n1ccnn1	ZINC001130079510	938672517	/nfs/dbraw/zinc/67/25/17/938672517.db2.gz	NICRVLOGOVMHEM-XHSDSOJGSA-N	1	0	362.478	1.020	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)C2CCCC2)C[C@@H]1n1ccnn1	ZINC001130079737	938672782	/nfs/dbraw/zinc/67/27/82/938672782.db2.gz	XKQRUAHQHXXBOM-NXHRZFHOSA-N	1	0	359.474	1.096	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCOCCOCC)C[C@@H]1n1ccnn1	ZINC001130088705	938675234	/nfs/dbraw/zinc/67/52/34/938675234.db2.gz	FPUSHHJYVHPIAT-SJORKVTESA-N	1	0	365.478	1.029	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](OC)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130091296	938676450	/nfs/dbraw/zinc/67/64/50/938676450.db2.gz	KGZTWMDZXQZTMS-FGTMMUONSA-N	1	0	353.426	1.031	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]C[C@H](C)CC)[C@@H](n3ccnn3)C2)nc1	ZINC001130091218	938676498	/nfs/dbraw/zinc/67/64/98/938676498.db2.gz	GPHAIYATLVSCED-OLMNPRSZSA-N	1	0	352.442	1.356	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]CCCCCC)[C@@H](n3ccnn3)C2)nc1	ZINC001130091374	938676706	/nfs/dbraw/zinc/67/67/06/938676706.db2.gz	PERQRVUCLOKFTG-MOPGFXCFSA-N	1	0	366.469	1.890	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(F)cc2C)C[C@@H]1n1ccnn1	ZINC001130094650	938679360	/nfs/dbraw/zinc/67/93/60/938679360.db2.gz	OCDOBDOYIMDTJT-MSOLQXFVSA-N	1	0	371.416	1.031	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)cc2)C[C@@H]1n1ccnn1	ZINC001130102180	938684101	/nfs/dbraw/zinc/68/41/01/938684101.db2.gz	LOXJCSNHDQRXBB-MOPGFXCFSA-N	1	0	368.485	1.966	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)csc2Cl)C[C@@H]1n1ccnn1	ZINC001130104915	938685646	/nfs/dbraw/zinc/68/56/46/938685646.db2.gz	BICOJNZAQUFVOF-OLZOCXBDSA-N	1	0	363.874	1.980	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)C(C)(C)C)C[C@@H]1n1ccnn1	ZINC001130105240	938686287	/nfs/dbraw/zinc/68/62/87/938686287.db2.gz	RPYWSUDVXVJOQA-BBWFWOEESA-N	1	0	361.490	1.342	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2[nH]cnc2CC)C[C@@H]1n1ccnn1	ZINC001130109909	938688623	/nfs/dbraw/zinc/68/86/23/938688623.db2.gz	KMTPHTPWCZHAGH-SJORKVTESA-N	1	0	371.489	1.965	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2csc3c2CCCC3)C[C@@H]1n1ccnn1	ZINC001130115078	938694561	/nfs/dbraw/zinc/69/45/61/938694561.db2.gz	SNEIMBUYOYGAOD-SJORKVTESA-N	1	0	369.494	1.897	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COc2ccc(C)c(C)c2)C[C@@H]1n1ccnn1	ZINC001130125371	938696212	/nfs/dbraw/zinc/69/62/12/938696212.db2.gz	KFNSCUIUVQIHPC-MOPGFXCFSA-N	1	0	369.469	1.892	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(Cl)cn2CC)C[C@@H]1n1ccnn1	ZINC001130125646	938696828	/nfs/dbraw/zinc/69/68/28/938696828.db2.gz	YLKCXWJBLZMJPQ-ZBFHGGJFSA-N	1	0	360.849	1.432	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc3n[nH]c(C)c3c2)C[C@@H]1n1ccnn1	ZINC001130125621	938696867	/nfs/dbraw/zinc/69/68/67/938696867.db2.gz	XHASRIQPXYJQNP-CVEARBPZSA-N	1	0	366.429	1.089	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2C(C)C)C[C@@H]1n1ccnn1	ZINC001130127975	938697943	/nfs/dbraw/zinc/69/79/43/938697943.db2.gz	RARGEJVYOMJLJR-CVEARBPZSA-N	1	0	357.462	1.366	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)COc2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001130119007	938702041	/nfs/dbraw/zinc/70/20/41/938702041.db2.gz	SDKPEMKRFRZVSX-MOPGFXCFSA-N	1	0	369.469	1.973	20	30		FDEDRO
C=CC[C@H](C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1)c1ccccc1	ZINC001130132624	938707441	/nfs/dbraw/zinc/70/74/41/938707441.db2.gz	ISTHORXQJKXDLT-OTWHNJEPSA-N	1	0	369.469	1.362	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](F)Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130133920	938708617	/nfs/dbraw/zinc/70/86/17/938708617.db2.gz	JPLAVRPFTOLYSV-KURKYZTESA-N	1	0	357.433	1.777	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2cccc(F)c2)C[C@@H]1n1ccnn1	ZINC001130148018	938710884	/nfs/dbraw/zinc/71/08/84/938710884.db2.gz	BNYIEDOEMBORIS-IPELMVKDSA-N	1	0	369.444	1.661	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(=O)c3ccccc23)C1	ZINC001195205739	970766896	/nfs/dbraw/zinc/76/68/96/970766896.db2.gz	XJUCWYPXCZJIHE-FSPWUOQZSA-N	1	0	356.422	1.923	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2ccccc2C)C[C@@H]1n1ccnn1	ZINC001130143036	938714222	/nfs/dbraw/zinc/71/42/22/938714222.db2.gz	LONPNWTWSHDGSF-UHOSZYNNSA-N	1	0	351.454	1.755	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]([NH2+]CCCCCF)[C@@H](n2ccnn2)C1	ZINC001130151478	938715949	/nfs/dbraw/zinc/71/59/49/938715949.db2.gz	SQCRAJVMLMBLBX-CVEARBPZSA-N	1	0	353.442	1.352	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCCn2ccnc2)C[C@@H]1n1ccnn1	ZINC001130159031	938720407	/nfs/dbraw/zinc/72/04/07/938720407.db2.gz	YOSPVTUWRMRNFA-SJORKVTESA-N	1	0	357.462	1.263	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](OC)C2CCCCC2)C[C@@H]1n1ccnn1	ZINC001130161112	938721412	/nfs/dbraw/zinc/72/14/12/938721412.db2.gz	NUDAYKXTRFVBAT-SQNIBIBYSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN(C)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130148519	938722762	/nfs/dbraw/zinc/72/27/62/938722762.db2.gz	UWHCRARAKSHQCZ-MOPGFXCFSA-N	1	0	368.485	1.722	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=Cc2ccco2)[nH]1	ZINC001130177496	938725125	/nfs/dbraw/zinc/72/51/25/938725125.db2.gz	CYGBGVHEXKLVJK-LUNKNMTDSA-N	1	0	357.414	1.375	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cscn2)[nH]1	ZINC001130192905	938737021	/nfs/dbraw/zinc/73/70/21/938737021.db2.gz	AFSRPXQJJHQLNQ-AAEUAGOBSA-N	1	0	362.459	1.229	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](CC)OC)n1	ZINC001130193093	938737355	/nfs/dbraw/zinc/73/73/55/938737355.db2.gz	IGDMEITXDAFUSK-XQQFMLRXSA-N	1	0	371.869	1.061	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](CC)OC)[nH]1	ZINC001130193088	938737384	/nfs/dbraw/zinc/73/73/84/938737384.db2.gz	HYOPOMPFVNHMDH-KKUMJFAQSA-N	1	0	365.478	1.274	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccsc2)n1	ZINC001130182767	938741461	/nfs/dbraw/zinc/74/14/61/938741461.db2.gz	AQGMADRFPRLBRO-KBPBESRZSA-N	1	0	359.455	1.282	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2occc2C)n1	ZINC001130182808	938741623	/nfs/dbraw/zinc/74/16/23/938741623.db2.gz	CSGDZFVNRHJFAC-KBPBESRZSA-N	1	0	357.414	1.122	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2ccoc2)[nH]1	ZINC001130205411	938746148	/nfs/dbraw/zinc/74/61/48/938746148.db2.gz	YXEGPUMJOPDQRA-GJZGRUSLSA-N	1	0	359.430	1.295	20	30		FDEDRO
CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C#CC(C)(C)C)[nH]1	ZINC001130207880	938747285	/nfs/dbraw/zinc/74/72/85/938747285.db2.gz	UFNUSKKUAXIWKZ-GJZGRUSLSA-N	1	0	361.490	1.589	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC(C)(C)C=C)[nH]1	ZINC001130215944	938752291	/nfs/dbraw/zinc/75/22/91/938752291.db2.gz	JFNAZIPEVWPGRD-GJZGRUSLSA-N	1	0	359.474	1.509	20	30		FDEDRO
C#CCC1(C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CC#CC)n[nH]2)CCC1	ZINC001130216134	938752622	/nfs/dbraw/zinc/75/26/22/938752622.db2.gz	NLDSDUYYNKGXKK-HOTGVXAUSA-N	1	0	369.469	1.100	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2[nH]ccc2C2CC2)n1	ZINC001130216377	938752786	/nfs/dbraw/zinc/75/27/86/938752786.db2.gz	VLUDQPURZRSUHA-GJZGRUSLSA-N	1	0	368.441	1.036	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2C=CC=CC=C2)[nH]1	ZINC001130216502	938752960	/nfs/dbraw/zinc/75/29/60/938752960.db2.gz	ZGXYHYHQJIXWAE-IRXDYDNUSA-N	1	0	367.453	1.205	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCC(C)(C)C)[nH]1	ZINC001130202523	938755140	/nfs/dbraw/zinc/75/51/40/938755140.db2.gz	ALBAQFSKHPDUOG-IHRRRGAJSA-N	1	0	362.478	1.479	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)COC)[nH]1	ZINC001130202748	938755380	/nfs/dbraw/zinc/75/53/80/938755380.db2.gz	IZBRDOAKFSYHOO-ILXRZTDVSA-N	1	0	365.478	1.132	20	30		FDEDRO
C#CCCCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC=C)[nH]1	ZINC001130224927	938758911	/nfs/dbraw/zinc/75/89/11/938758911.db2.gz	IYLYGQCLZCOLQW-HOTGVXAUSA-N	1	0	359.474	1.653	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](F)C(C)C)[nH]1	ZINC001130227789	938761800	/nfs/dbraw/zinc/76/18/00/938761800.db2.gz	PCKIBBRLNXEPNG-YDHLFZDLSA-N	1	0	353.442	1.453	20	30		FDEDRO
C=CC(C)(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@H](C)COC)[nH]1	ZINC001130227829	938762239	/nfs/dbraw/zinc/76/22/39/938762239.db2.gz	QZNYQRROOJCIBQ-RDBSUJKOSA-N	1	0	365.478	1.130	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(C)CCC2)n1	ZINC001130229988	938763558	/nfs/dbraw/zinc/76/35/58/938763558.db2.gz	LURNMWJLOKRRTE-STQMWFEESA-N	1	0	367.881	1.826	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)n1	ZINC001130230180	938763845	/nfs/dbraw/zinc/76/38/45/938763845.db2.gz	QCVJWBVUDDZWIU-KSWRQPAISA-N	1	0	371.485	1.343	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(C3CC3)CCC2)n1	ZINC001130230533	938764238	/nfs/dbraw/zinc/76/42/38/938764238.db2.gz	YVIYRECBOICGIA-GJZGRUSLSA-N	1	0	357.458	1.097	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCC2(C)CC2)[nH]1	ZINC001130245213	938770908	/nfs/dbraw/zinc/77/09/08/938770908.db2.gz	VSTLDIXYRZADJE-GJZGRUSLSA-N	1	0	359.474	1.487	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CCC=CCC2)n1	ZINC001130249091	938773362	/nfs/dbraw/zinc/77/33/62/938773362.db2.gz	JJDRQBDCROICPD-HOTGVXAUSA-N	1	0	357.458	1.263	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C)cc(C)c2)n1	ZINC001130251171	938774217	/nfs/dbraw/zinc/77/42/17/938774217.db2.gz	GQZKUUJOLOANSQ-IRXDYDNUSA-N	1	0	367.453	1.447	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)C(C)(F)F)[nH]1	ZINC001130251240	938774397	/nfs/dbraw/zinc/77/43/97/938774397.db2.gz	JPUZGGDKSIAASU-RYUDHWBXSA-N	1	0	371.432	1.750	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@@H](C)SC)CC1	ZINC001130281351	938779517	/nfs/dbraw/zinc/77/95/17/938779517.db2.gz	ISXQJQJDTKAONB-OGWOLHLISA-N	1	0	365.543	1.627	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CO[C@H](C)CC)CC1	ZINC001130282607	938780005	/nfs/dbraw/zinc/78/00/05/938780005.db2.gz	XXTSRCDBWBUKNM-MDYRTPRTSA-N	1	0	363.502	1.300	20	30		FDEDRO
C=CCOCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC2CC2)CC1	ZINC001130266964	938783172	/nfs/dbraw/zinc/78/31/72/938783172.db2.gz	ZVQQHFNUEQTDKH-XLIONFOSSA-N	1	0	363.502	1.465	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)/C=C\c2ccco2)CC1	ZINC001130271643	938785369	/nfs/dbraw/zinc/78/53/69/938785369.db2.gz	LIONUBXDGCXCRU-GKPQXDKRSA-N	1	0	369.465	1.792	20	30		FDEDRO
COCC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC(C)C)CC1	ZINC001130271852	938785611	/nfs/dbraw/zinc/78/56/11/938785611.db2.gz	XFDARCSQYDMBNR-XLIONFOSSA-N	1	0	363.502	1.158	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)SC)CC1	ZINC001130274698	938787069	/nfs/dbraw/zinc/78/70/69/938787069.db2.gz	ZLVLHYJKDVAJKY-LXZKKBNFSA-N	1	0	351.516	1.237	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)OCCCC)CC1	ZINC001130276945	938788275	/nfs/dbraw/zinc/78/82/75/938788275.db2.gz	VXOIDDWEHIYZMR-SUMDDJOVSA-N	1	0	365.518	1.853	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCOCC(C)C)CC1	ZINC001130276949	938788333	/nfs/dbraw/zinc/78/83/33/938788333.db2.gz	VXUHBGKQUSMNMS-XLIONFOSSA-N	1	0	363.502	1.158	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](CC)OCC)CC1	ZINC001130278751	938788799	/nfs/dbraw/zinc/78/87/99/938788799.db2.gz	AENDNZHAWFBMKW-AOIWGVFYSA-N	1	0	363.502	1.300	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)/C=C/c2ccc[nH]2)CC1	ZINC001130285368	938790125	/nfs/dbraw/zinc/79/01/25/938790125.db2.gz	GEOXDSLTAGMOPP-YQPNNZSJSA-N	1	0	356.470	1.689	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[C@@H](C)OC)CC1	ZINC001130285533	938790370	/nfs/dbraw/zinc/79/03/70/938790370.db2.gz	ISTFLZOFOBHHNJ-OGWOLHLISA-N	1	0	351.491	1.463	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCOC)CC1	ZINC001130288893	938793929	/nfs/dbraw/zinc/79/39/29/938793929.db2.gz	ZMQHXHYLKRAKJU-XLIONFOSSA-N	1	0	363.502	1.302	20	30		FDEDRO
CC(C)(C)C#CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC2CC2)CC1	ZINC001130290817	938795358	/nfs/dbraw/zinc/79/53/58/938795358.db2.gz	MDHZUGQEEYGQHM-XLIONFOSSA-N	1	0	359.514	1.921	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC2(COC)CC2)CC1	ZINC001130290933	938795645	/nfs/dbraw/zinc/79/56/45/938795645.db2.gz	QSXDKRMBZLRDJX-APWZRJJASA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](CCC)OC)CC1	ZINC001130295596	938798035	/nfs/dbraw/zinc/79/80/35/938798035.db2.gz	JIOSBGFGYCMIKY-LMMKCTJWSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)c1ccncc1	ZINC000805812288	938831169	/nfs/dbraw/zinc/83/11/69/938831169.db2.gz	UIMCEWRLADRLCN-GOSISDBHSA-N	1	0	374.485	1.384	20	30		FDEDRO
C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cccc(-n2ccnn2)c1	ZINC000806145604	938900179	/nfs/dbraw/zinc/90/01/79/938900179.db2.gz	DPZLVNZNNWQDOO-OYLHUBKDSA-N	1	0	352.398	1.444	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cncnc2)C[C@H]1c1cn(C)cn1	ZINC001130574461	939874774	/nfs/dbraw/zinc/87/47/74/939874774.db2.gz	WTLJKINNRATVIN-VDZJLULYSA-N	1	0	368.485	1.692	20	30		FDEDRO
Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1c1cn(C)cn1	ZINC001130583573	939883977	/nfs/dbraw/zinc/88/39/77/939883977.db2.gz	GSAMRWVLDVBWSD-AZUAARDMSA-N	1	0	365.481	1.867	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130583621	939884027	/nfs/dbraw/zinc/88/40/27/939884027.db2.gz	JGWWXWMUQHJJTE-FUHWJXTLSA-N	1	0	356.474	1.247	20	30		FDEDRO
CCc1nocc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1c1cn(C)cn1	ZINC001130583722	939884042	/nfs/dbraw/zinc/88/40/42/939884042.db2.gz	NKDHYHHNEWSNCB-QFBILLFUSA-N	1	0	369.469	1.714	20	30		FDEDRO
Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2c2cn(C)cn2)s1	ZINC001130583779	939884477	/nfs/dbraw/zinc/88/44/77/939884477.db2.gz	QKOOIQQMVVVWPR-FUHWJXTLSA-N	1	0	371.510	1.929	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC2=CCCCC2)C1	ZINC001130587749	939889390	/nfs/dbraw/zinc/88/93/90/939889390.db2.gz	ZFFHEPSLUXUAHU-AZUAARDMSA-N	1	0	370.497	1.844	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2nccnc2C)C1	ZINC001130580711	939893296	/nfs/dbraw/zinc/89/32/96/939893296.db2.gz	MSFFXFCZQXGFAK-QFBILLFUSA-N	1	0	366.469	1.406	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(CC(C)C)n2)C[C@H]1c1cn(C)cn1	ZINC001130590170	939896177	/nfs/dbraw/zinc/89/61/77/939896177.db2.gz	CMEPJSQTKZGVSR-MAUKXSAKSA-N	1	0	368.485	1.563	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3cn[nH]c32)C[C@H]1c1cn(C)cn1	ZINC001130590306	939896719	/nfs/dbraw/zinc/89/67/19/939896719.db2.gz	JKMIRNTUDKFBJQ-XYJFISCASA-N	1	0	366.469	1.171	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)nn2)C[C@H]1c1cn(C)cn1	ZINC001130590555	939897654	/nfs/dbraw/zinc/89/76/54/939897654.db2.gz	WMLGMSRMVAXXAG-MAUKXSAKSA-N	1	0	354.458	1.683	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC2CCOCC2)C1	ZINC001130590551	939897796	/nfs/dbraw/zinc/89/77/96/939897796.db2.gz	WJSDGIWIKHAHIL-PKOBYXMFSA-N	1	0	358.486	1.390	20	30		FDEDRO
CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccc(OC)c(C#N)c1	ZINC000806329297	939900825	/nfs/dbraw/zinc/90/08/25/939900825.db2.gz	PZZSBCPLKXJFKC-INIZCTEOSA-N	1	0	358.442	1.174	20	30		FDEDRO
Cn1cnc([C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2[NH2+]C[C@@H]2CCOC2)c1	ZINC001130594589	939901696	/nfs/dbraw/zinc/90/16/96/939901696.db2.gz	PTVNPUGEUFVQIR-XYJFISCASA-N	1	0	358.486	1.390	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cn2ccc(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130599625	939905455	/nfs/dbraw/zinc/90/54/55/939905455.db2.gz	XUPFTWRTECTFME-HHXXYDBFSA-N	1	0	370.501	1.721	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnc(C3CC3)o2)C[C@H]1c1cn(C)cn1	ZINC001130610332	939908030	/nfs/dbraw/zinc/90/80/30/939908030.db2.gz	IYRCQEATIYPCDG-GOEBONIOSA-N	1	0	353.426	1.507	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCC)C1	ZINC001130610896	939908272	/nfs/dbraw/zinc/90/82/72/939908272.db2.gz	UZTIINFZLGEIBD-UHOSZYNNSA-N	1	0	357.502	1.202	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCC3)C[C@H]1c1cn(C)cn1	ZINC001130604731	939916179	/nfs/dbraw/zinc/91/61/79/939916179.db2.gz	LAJQOYSRLFWVBQ-QFBILLFUSA-N	1	0	368.485	1.727	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@@H](CC)C(N)=O)C1	ZINC001130604963	939916347	/nfs/dbraw/zinc/91/63/47/939916347.db2.gz	RKRDDGNKKSOXRN-OFQRWUPVSA-N	1	0	361.490	1.170	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOC)C1	ZINC001130607526	939919053	/nfs/dbraw/zinc/91/90/53/939919053.db2.gz	GEXFMZACDCOCHP-DOTOQJQBSA-N	1	0	357.458	1.252	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2cccnc2)C[C@H]1c1cn(C)cn1	ZINC001130623544	939921619	/nfs/dbraw/zinc/92/16/19/939921619.db2.gz	DDTTZGGLUJQLOI-PKOBYXMFSA-N	1	0	351.454	1.355	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H]1c1cn(C)cn1	ZINC001130624206	939922161	/nfs/dbraw/zinc/92/21/61/939922161.db2.gz	OPFLXFYHJJHDBE-MAUKXSAKSA-N	1	0	368.485	1.796	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc3[nH]ccc3n2)C[C@H]1c1cn(C)cn1	ZINC001130626365	939924017	/nfs/dbraw/zinc/92/40/17/939924017.db2.gz	LDGCCNJNQJZRJG-IFXJQAMLSA-N	1	0	362.437	1.518	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2nc3c(s2)CCC3)C[C@H]1c1cn(C)cn1	ZINC001130626954	939924528	/nfs/dbraw/zinc/92/45/28/939924528.db2.gz	VSLOIMNJYVZIHA-XJKSGUPXSA-N	1	0	369.494	1.586	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2ccon2)C[C@H]1c1cn(C)cn1	ZINC001130626941	939924616	/nfs/dbraw/zinc/92/46/16/939924616.db2.gz	VGOWVBYLERDCBC-FUHWJXTLSA-N	1	0	357.458	1.891	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ncccc2CC)C[C@H]1c1cn(C)cn1	ZINC001130619386	939930131	/nfs/dbraw/zinc/93/01/31/939930131.db2.gz	OZZUDFZVRRJQBA-FUHWJXTLSA-N	1	0	351.454	1.599	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCn3nccc32)C[C@H]1c1cn(C)cn1	ZINC001130619475	939930359	/nfs/dbraw/zinc/93/03/59/939930359.db2.gz	SZOGDQFWBNCMKA-SOLBZPMBSA-N	1	0	366.469	1.102	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@H](C)COC)C1	ZINC001130640084	939931982	/nfs/dbraw/zinc/93/19/82/939931982.db2.gz	ZLPLZALWRMVXBT-ZIFCJYIRSA-N	1	0	360.502	1.923	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1c1cn(C)cn1	ZINC001130635209	939937444	/nfs/dbraw/zinc/93/74/44/939937444.db2.gz	OMNARBOQHQZJCB-GOEBONIOSA-N	1	0	371.441	1.276	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCOCC)C2)cc1	ZINC001130637861	939939828	/nfs/dbraw/zinc/93/98/28/939939828.db2.gz	OZBKUJBWHXKDBP-AZUAARDMSA-N	1	0	366.465	1.636	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCNC(=O)C(C)(C)C)C[C@H]1c1cn(C)cn1	ZINC001130637848	939939936	/nfs/dbraw/zinc/93/99/36/939939936.db2.gz	OOHWFKQJLXSOIK-GOEBONIOSA-N	1	0	361.490	1.043	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](CCC)OC)C[C@H]1c1cn(C)cn1	ZINC001130639765	939941791	/nfs/dbraw/zinc/94/17/91/939941791.db2.gz	OPFRBSZNQKJEBD-CGTJXYLNSA-N	1	0	364.490	1.322	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2ccc(=O)[nH]c2)C[C@H]1c1cn(C)cn1	ZINC001130649360	939944669	/nfs/dbraw/zinc/94/46/69/939944669.db2.gz	HTYLQINARABLMX-FUHWJXTLSA-N	1	0	367.453	1.061	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc[nH]c2CCC)C[C@H]1c1cn(C)cn1	ZINC001130652206	939946522	/nfs/dbraw/zinc/94/65/22/939946522.db2.gz	JLXBTTIEJNVPMN-QFBILLFUSA-N	1	0	353.470	1.922	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2ncccc2OC)C[C@H]1c1cn(C)cn1	ZINC001130652410	939946860	/nfs/dbraw/zinc/94/68/60/939946860.db2.gz	SZONNOZVWFTQCR-MAUKXSAKSA-N	1	0	369.469	1.527	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(=O)N(C)CC)C1	ZINC001130664560	939957360	/nfs/dbraw/zinc/95/73/60/939957360.db2.gz	VXZBFKSLVRDWRE-DOTOQJQBSA-N	1	0	361.490	1.139	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1c1cn(C)cn1	ZINC001130662105	939967389	/nfs/dbraw/zinc/96/73/89/939967389.db2.gz	KXDCSRCZFLOXSD-HEHGZKQESA-N	1	0	360.437	1.835	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2conc2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130674685	939972654	/nfs/dbraw/zinc/97/26/54/939972654.db2.gz	AIIBRIKKKSSTFH-WMLDXEAASA-N	1	0	353.426	1.507	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)no2)C[C@H]1c1cn(C)cn1	ZINC001130685139	939975023	/nfs/dbraw/zinc/97/50/23/939975023.db2.gz	GDKQCWZDJJTNFI-WMLDXEAASA-N	1	0	353.426	1.507	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COc2cccnc2)C[C@H]1c1cn(C)cn1	ZINC001130692535	939981275	/nfs/dbraw/zinc/98/12/75/939981275.db2.gz	PLRAUNDIOXVCEW-FUHWJXTLSA-N	1	0	355.442	1.354	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnc(C)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130692609	939981305	/nfs/dbraw/zinc/98/13/05/939981305.db2.gz	UBMZPXHEHOSDKH-PKOBYXMFSA-N	1	0	368.485	1.991	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn(CCC)c2)C[C@H]1c1cn(C)cn1	ZINC001130683075	939983141	/nfs/dbraw/zinc/98/31/41/939983141.db2.gz	WTGZEWWOISNMPT-FUHWJXTLSA-N	1	0	354.458	1.248	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2nnn(C(C)C)c2C)C[C@H]1c1cn(C)cn1	ZINC001130704581	939985499	/nfs/dbraw/zinc/98/54/99/939985499.db2.gz	VCWLMFJZYLULGW-DOTOQJQBSA-N	1	0	369.473	1.122	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC23CCCC3)C[C@H]1c1cn(C)cn1	ZINC001130706665	939988689	/nfs/dbraw/zinc/98/86/89/939988689.db2.gz	RRYAABWIXJMUDJ-JENIJYKNSA-N	1	0	370.497	1.534	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130701554	939996798	/nfs/dbraw/zinc/99/67/98/939996798.db2.gz	XFARFKPXPATMBQ-WMLDXEAASA-N	1	0	370.457	1.011	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1c1cn(C)cn1	ZINC001130714499	940006322	/nfs/dbraw/zinc/00/63/22/940006322.db2.gz	BVPHHGLOKXGVTK-DOTOQJQBSA-N	1	0	367.925	1.789	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3nccn3c2)C[C@H]1c1cn(C)cn1	ZINC001130714945	940007019	/nfs/dbraw/zinc/00/70/19/940007019.db2.gz	PWGHTGMSVVVVRB-FUHWJXTLSA-N	1	0	364.453	1.842	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2coc(C3CCC3)n2)C[C@H]1c1cn(C)cn1	ZINC001130708218	940014073	/nfs/dbraw/zinc/01/40/73/940014073.db2.gz	BVRXEXWYZYJJKM-DOTOQJQBSA-N	1	0	367.453	1.897	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOC(C)C)C1	ZINC001130741474	940032885	/nfs/dbraw/zinc/03/28/85/940032885.db2.gz	DVAKUGBMUDHUEG-XYJFISCASA-N	1	0	364.490	1.320	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2COc3ccccc32)C[C@H]1c1cn(C)cn1	ZINC001130739990	940042080	/nfs/dbraw/zinc/04/20/80/940042080.db2.gz	ZSYDGWSBHBCRNY-YQVWRLOYSA-N	1	0	364.449	1.504	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccccc3C)n2)O1	ZINC001130749699	940056010	/nfs/dbraw/zinc/05/60/10/940056010.db2.gz	NQLGTYJJUILLDX-DOTOQJQBSA-N	1	0	367.453	1.876	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CNC(=O)C(CC)CC)C[C@H]1c1cn(C)cn1	ZINC001130749981	940057659	/nfs/dbraw/zinc/05/76/59/940057659.db2.gz	XJYBXZHJSGJGAU-DOTOQJQBSA-N	1	0	361.490	1.043	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](CC)OC)n2)O1	ZINC001130761726	940067646	/nfs/dbraw/zinc/06/76/46/940067646.db2.gz	FIXHNOGKAPHSGR-SOUVJXGZSA-N	1	0	365.478	1.622	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)CC)n2)O1	ZINC001130758336	940084141	/nfs/dbraw/zinc/08/41/41/940084141.db2.gz	XYYMNHWGALKFJU-QLFBSQMISA-N	1	0	365.478	1.479	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cnn(C)c3C)C2)C1=O	ZINC001086646177	940090667	/nfs/dbraw/zinc/09/06/67/940090667.db2.gz	FEIUGGWZBNYCNA-ZMSDIMECSA-N	1	0	359.474	1.004	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3ccc(C)o3)n2)O1	ZINC001130775002	940092176	/nfs/dbraw/zinc/09/21/76/940092176.db2.gz	IEKCJZKYRQHJDJ-LSDHHAIUSA-N	1	0	359.430	1.561	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC(F)(F)F)n2)O1	ZINC001130765248	940095100	/nfs/dbraw/zinc/09/51/00/940095100.db2.gz	JHKAHXMKLWAICL-WDEREUQCSA-N	1	0	359.352	1.206	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)OCC(C)C)n2)O1	ZINC001130765449	940096266	/nfs/dbraw/zinc/09/62/66/940096266.db2.gz	TWDHKNROOKSUOB-QLFBSQMISA-N	1	0	365.478	1.478	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)C#N)n2)O1	ZINC001130769826	940107658	/nfs/dbraw/zinc/10/76/58/940107658.db2.gz	PZDUVLSVNMGIQL-ZMLRMANQSA-N	1	0	352.826	1.143	20	30		FDEDRO
CC1CC(C[NH2+]C[C@@H]2CC[C@H](c3n[nH]c(CNC(=O)C#CC4CC4)n3)O2)C1	ZINC001130785443	940120146	/nfs/dbraw/zinc/12/01/46/940120146.db2.gz	MXZBEGHIOVGSTH-MHVXSEJMSA-N	1	0	371.485	1.690	20	30		FDEDRO
CC(C)(C)C#CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1	ZINC001130785533	940120519	/nfs/dbraw/zinc/12/05/19/940120519.db2.gz	SSOWMRZZEMCDAN-QWHCGFSZSA-N	1	0	351.426	1.250	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C=Cc3ccc[nH]3)n2)O1	ZINC001130776435	940124635	/nfs/dbraw/zinc/12/46/35/940124635.db2.gz	FDXOHZGZBJMGTE-OXUBUWLOSA-N	1	0	370.457	1.848	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cnnc(C)c3)n2)O1	ZINC001130776801	940126256	/nfs/dbraw/zinc/12/62/56/940126256.db2.gz	LVWPMBLKXZCMAY-LSDHHAIUSA-N	1	0	371.445	1.219	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[C@H](C)OC)n2)O1	ZINC001130777270	940128716	/nfs/dbraw/zinc/12/87/16/940128716.db2.gz	ZRXNJGXHJYHGKH-SOUVJXGZSA-N	1	0	363.462	1.069	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccoc3Cl)n2)O1	ZINC001130778062	940131010	/nfs/dbraw/zinc/13/10/10/940131010.db2.gz	CWWYNWKBTDADFR-CMPLNLGQSA-N	1	0	365.821	1.977	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3ccoc3)n2)O1	ZINC001130778394	940131788	/nfs/dbraw/zinc/13/17/88/940131788.db2.gz	WDRIAWKSXNESAV-LSDHHAIUSA-N	1	0	357.414	1.090	20	30		FDEDRO
C#CCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C	ZINC000806912489	940139400	/nfs/dbraw/zinc/13/94/00/940139400.db2.gz	YTMRJEHWOSDRKK-GOSISDBHSA-N	1	0	355.482	1.933	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccoc3CC)n2)O1	ZINC001130782668	940141938	/nfs/dbraw/zinc/14/19/38/940141938.db2.gz	AADQRIIFJBNNLY-SWLSCSKDSA-N	1	0	359.430	1.886	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)n2)O1	ZINC001130793869	940144411	/nfs/dbraw/zinc/14/44/11/940144411.db2.gz	DDLGCUFWYJGJGO-SMLCLMEVSA-N	1	0	371.485	1.690	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ncc(C)cc3C)n2)O1	ZINC001130794521	940146369	/nfs/dbraw/zinc/14/63/69/940146369.db2.gz	XMDUEYCGIDPGCN-LSDHHAIUSA-N	1	0	368.441	1.189	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C)cc(C)n3)n2)O1	ZINC001130790279	940163674	/nfs/dbraw/zinc/16/36/74/940163674.db2.gz	QJEPAUHKTHOBPF-GOEBONIOSA-N	1	0	370.457	1.742	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(CCOC)CC3)n2)O1	ZINC001130790385	940164327	/nfs/dbraw/zinc/16/43/27/940164327.db2.gz	XQMCZNQHZPYNFS-UONOGXRCSA-N	1	0	363.462	1.233	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(CF)CCC3)n2)O1	ZINC001130806779	940181497	/nfs/dbraw/zinc/18/14/97/940181497.db2.gz	LBQGYSJPVBXANZ-UONOGXRCSA-N	1	0	365.453	1.947	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3C[C@H]3CC(C)C)n2)O1	ZINC001130807301	940182581	/nfs/dbraw/zinc/18/25/81/940182581.db2.gz	WHWMHPNIPYGJLF-YYIAUSFCSA-N	1	0	373.501	1.936	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCC)O2)n[nH]1	ZINC001130821783	940202545	/nfs/dbraw/zinc/20/25/45/940202545.db2.gz	CXKQYXNLJYGODV-SOUVJXGZSA-N	1	0	365.478	1.622	20	30		FDEDRO
C=CCO[C@H](C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC(=C)C)O2)n[nH]1	ZINC001130822706	940203090	/nfs/dbraw/zinc/20/30/90/940203090.db2.gz	LBZWWGGWMLFSKY-QLFBSQMISA-N	1	0	363.462	1.398	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)Cc3ccco3)n2)O1	ZINC001130813784	940213518	/nfs/dbraw/zinc/21/35/18/940213518.db2.gz	XIVFLUMGKJGNQG-VNQPRFMTSA-N	1	0	371.441	1.336	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(C)cc3C)n2)O1	ZINC001130817486	940223267	/nfs/dbraw/zinc/22/32/67/940223267.db2.gz	PPHBVPKOJOTENN-DOTOQJQBSA-N	1	0	367.453	1.794	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(C)nc3C)n2)O1	ZINC001130820450	940227426	/nfs/dbraw/zinc/22/74/26/940227426.db2.gz	XCWCTFAGLXKXOE-GOEBONIOSA-N	1	0	370.457	1.742	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3ccc[nH]3)n2)O1	ZINC001130820276	940227869	/nfs/dbraw/zinc/22/78/69/940227869.db2.gz	QZHKJZXOBDVEPS-LSDHHAIUSA-N	1	0	358.446	1.378	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(CC)n[nH]3)C2)C1=O	ZINC001086648691	940267704	/nfs/dbraw/zinc/26/77/04/940267704.db2.gz	QIBQLTRDYDEOFC-NUEKZKHPSA-N	1	0	359.474	1.247	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1c1cncn1C	ZINC001130909042	940315685	/nfs/dbraw/zinc/31/56/85/940315685.db2.gz	YXCWOBCPGDHLEK-IAGOWNOFSA-N	1	0	355.442	1.218	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1c1cncn1C	ZINC001130912680	940322243	/nfs/dbraw/zinc/32/22/43/940322243.db2.gz	AVSFRAZDOKFJLO-BRWVUGGUSA-N	1	0	371.489	1.341	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCn2nc(C)nc2C)C1	ZINC001130936152	940332481	/nfs/dbraw/zinc/33/24/81/940332481.db2.gz	XXGGCEDDADSBQT-IAGOWNOFSA-N	1	0	371.489	1.179	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1c1cncn1C	ZINC001130927344	940335644	/nfs/dbraw/zinc/33/56/44/940335644.db2.gz	MCOHGKYNMUUAMW-BZUAXINKSA-N	1	0	356.474	1.706	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cn2cc(C)cn2)C[C@H]1c1cncn1C	ZINC001130928530	940337555	/nfs/dbraw/zinc/33/75/55/940337555.db2.gz	CTAXDICIRQZPMP-IAGOWNOFSA-N	1	0	356.474	1.475	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2=COCCC2)C[C@H]1c1cncn1C	ZINC001130940662	940351277	/nfs/dbraw/zinc/35/12/77/940351277.db2.gz	HSNYAEBXRIIQQB-IAGOWNOFSA-N	1	0	360.458	1.201	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC=C(Cl)Cl)C1	ZINC001130941164	940351587	/nfs/dbraw/zinc/35/15/87/940351587.db2.gz	SRIQXWDHBBKKOF-IJLUTSLNSA-N	1	0	356.257	1.783	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cc(C)no2)C1	ZINC001130946002	940357116	/nfs/dbraw/zinc/35/71/16/940357116.db2.gz	HYSCJPZMXMKJIU-HZPDHXFCSA-N	1	0	359.430	1.003	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CCc2ccoc2)C[C@H]1c1cncn1C	ZINC001130956607	940361477	/nfs/dbraw/zinc/36/14/77/940361477.db2.gz	AGZHXTRIWDULFU-QZTJIDSGSA-N	1	0	370.453	1.180	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(C)ncn2)C[C@H]1c1cncn1C	ZINC001130959482	940365235	/nfs/dbraw/zinc/36/52/35/940365235.db2.gz	NFNCAOGTTOTXII-NVXWUHKLSA-N	1	0	354.458	1.683	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnc(C)cn2)C1	ZINC001130971314	940379603	/nfs/dbraw/zinc/37/96/03/940379603.db2.gz	JJXPQWAOOXZTQP-QZTJIDSGSA-N	1	0	366.469	1.406	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@H]2CCCCO2)C1	ZINC001130971410	940380018	/nfs/dbraw/zinc/38/00/18/940380018.db2.gz	NBVMIUYJLHWLSG-KZNAEPCWSA-N	1	0	358.486	1.677	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@H]2CCCOC2)C1	ZINC001130977916	940409048	/nfs/dbraw/zinc/40/90/48/940409048.db2.gz	HCZCHQDEYJJQHI-KZNAEPCWSA-N	1	0	358.486	1.534	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC/C=C\CC)C1	ZINC001130988553	940410387	/nfs/dbraw/zinc/41/03/87/940410387.db2.gz	HSBURJWJVBADTE-MCHFGCRHSA-N	1	0	358.486	1.699	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCO[C@@H](C)CC(C)C)C[C@H]1c1cncn1C	ZINC001130989198	940411594	/nfs/dbraw/zinc/41/15/94/940411594.db2.gz	XIIWSTRWXYFHSA-RCCFBDPRSA-N	1	0	360.502	1.779	20	30		FDEDRO
Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1c1cncn1C	ZINC001130991291	940413609	/nfs/dbraw/zinc/41/36/09/940413609.db2.gz	CHLUFWCMSGYFHX-RTBURBONSA-N	1	0	365.481	1.867	20	30		FDEDRO
CO[C@H](C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1cncn1C)C1CCC1	ZINC001130985813	940423341	/nfs/dbraw/zinc/42/33/41/940423341.db2.gz	RLZNYFOLJHYXOM-QWFCFKBJSA-N	1	0	370.497	1.533	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@H](C)OC)C1	ZINC001131007690	940434069	/nfs/dbraw/zinc/43/40/69/940434069.db2.gz	GJZGBESYPRXSDV-GVDBMIGSSA-N	1	0	371.485	1.640	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2scnc2CC)C[C@H]1c1cncn1C	ZINC001131008064	940434526	/nfs/dbraw/zinc/43/45/26/940434526.db2.gz	UBPNAHSLHWEGGS-UKRRQHHQSA-N	1	0	357.483	1.660	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3cncn3C2)C[C@H]1c1cncn1C	ZINC001131018036	940439245	/nfs/dbraw/zinc/43/92/45/940439245.db2.gz	YODHSXRFVISQIC-KBAYOESNSA-N	1	0	368.485	1.339	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccsn2)C[C@H]1c1cncn1C	ZINC001131012110	940443818	/nfs/dbraw/zinc/44/38/18/940443818.db2.gz	BNPFYWILSVZPGB-UKRRQHHQSA-N	1	0	361.471	1.277	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2cccnc2)C[C@H]1c1cncn1C	ZINC001131025959	940459411	/nfs/dbraw/zinc/45/94/11/940459411.db2.gz	LZCQQIWGRJJEGC-QZTJIDSGSA-N	1	0	351.454	1.355	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ncc(Cl)s2)C[C@H]1c1cncn1C	ZINC001131028686	940463030	/nfs/dbraw/zinc/46/30/30/940463030.db2.gz	CRFRZECNRCDZRX-VXGBXAGGSA-N	1	0	363.874	1.751	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2n[nH]nc2C)C[C@H]1c1cncn1C	ZINC001131040099	940468128	/nfs/dbraw/zinc/46/81/28/940468128.db2.gz	LPUNQPMNVKJXGT-BPLDGKMQSA-N	1	0	357.462	1.399	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cncc(CC)c2)C[C@H]1c1cncn1C	ZINC001131031796	940469291	/nfs/dbraw/zinc/46/92/91/940469291.db2.gz	XIMHOSZWVLSCPC-QZTJIDSGSA-N	1	0	351.454	1.599	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccn(C(C)C)n2)C[C@H]1c1cncn1C	ZINC001131033762	940470318	/nfs/dbraw/zinc/47/03/18/940470318.db2.gz	VTCRXMCOTDUXHP-QZTJIDSGSA-N	1	0	368.485	1.348	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@H](C)C(=O)NC)C1	ZINC001131042096	940471545	/nfs/dbraw/zinc/47/15/45/940471545.db2.gz	MGFWVHJOUCBBRC-RBSFLKMASA-N	1	0	361.490	1.041	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C2(c3cc(C)no3)CC2)C[C@H]1c1cncn1C	ZINC001131051639	940480174	/nfs/dbraw/zinc/48/01/74/940480174.db2.gz	RBUNHEPNAOIWPR-HZPDHXFCSA-N	1	0	369.469	1.908	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(c3cccnc3)CC2)C[C@H]1c1cncn1C	ZINC001131054141	940480994	/nfs/dbraw/zinc/48/09/94/940480994.db2.gz	UQUFPGBGGUXYPC-QZTJIDSGSA-N	1	0	363.465	1.454	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]C[C@@H](C)OC)C2)c1	ZINC001131068156	940483400	/nfs/dbraw/zinc/48/34/00/940483400.db2.gz	PQNDKEVZKMBQIK-ZTFGCOKTSA-N	1	0	367.453	1.029	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3nc[nH]c32)C[C@H]1c1cncn1C	ZINC001131070217	940484527	/nfs/dbraw/zinc/48/45/27/940484527.db2.gz	KYGXZPPFICIUBZ-ZMSDIMECSA-N	1	0	366.469	1.171	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2ccc(C)n2)C[C@H]1c1cncn1C	ZINC001131072189	940485060	/nfs/dbraw/zinc/48/50/60/940485060.db2.gz	MJQREVNJBKPAEX-KBAYOESNSA-N	1	0	370.501	1.864	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2nccc3[nH]ccc32)C[C@H]1c1cncn1C	ZINC001131072364	940485341	/nfs/dbraw/zinc/48/53/41/940485341.db2.gz	VGGZHERQPRVYCK-NVXWUHKLSA-N	1	0	362.437	1.518	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)C(C)(F)F)C[C@H]1c1cncn1C	ZINC001131072439	940485480	/nfs/dbraw/zinc/48/54/80/940485480.db2.gz	YQWCTJLJAHDAQM-RRFJBIMHSA-N	1	0	368.428	1.245	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccn(C(C)C)n2)C[C@H]1c1cncn1C	ZINC001131082727	940488220	/nfs/dbraw/zinc/48/82/20/940488220.db2.gz	YNXNQAXDPIEGGW-NVXWUHKLSA-N	1	0	356.474	1.971	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCC2CCOCC2)C[C@H]1c1cncn1C	ZINC001131084340	940489295	/nfs/dbraw/zinc/48/92/95/940489295.db2.gz	RRYHNOVKNZFVHM-QZTJIDSGSA-N	1	0	358.486	1.534	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn(CC)nc2C)C[C@H]1c1cncn1C	ZINC001131079021	940492062	/nfs/dbraw/zinc/49/20/62/940492062.db2.gz	AMLJXMBHTUCITG-IAGOWNOFSA-N	1	0	356.474	1.719	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cnc(C)s3)C2)C1=O	ZINC001086656956	940494542	/nfs/dbraw/zinc/49/45/42/940494542.db2.gz	ZONWGDOICNGIER-RRFJBIMHSA-N	1	0	362.499	1.727	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)nc(C)n2)C[C@H]1c1cncn1C	ZINC001131089784	940495044	/nfs/dbraw/zinc/49/50/44/940495044.db2.gz	ZQRMPUIJCMFODP-NVXWUHKLSA-N	1	0	352.442	1.048	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCC(=O)N(C)C)C[C@H]1c1cncn1C	ZINC001131110767	940498391	/nfs/dbraw/zinc/49/83/91/940498391.db2.gz	YTJOCWQFPOYVIP-HZPDHXFCSA-N	1	0	361.490	1.139	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2scnc2C)C[C@H]1c1cncn1C	ZINC001131100904	940500180	/nfs/dbraw/zinc/50/01/80/940500180.db2.gz	BKWIZFVAZRAKKP-HZPDHXFCSA-N	1	0	371.510	1.725	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2cnccn2)C[C@H]1c1cncn1C	ZINC001131103541	940501148	/nfs/dbraw/zinc/50/11/48/940501148.db2.gz	PHSPUVNNPOPHNA-QZTJIDSGSA-N	1	0	368.485	1.693	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccnc2OCC)C[C@H]1c1cncn1C	ZINC001131117681	940504452	/nfs/dbraw/zinc/50/44/52/940504452.db2.gz	LVIQUNJYPBPIDJ-IAGOWNOFSA-N	1	0	367.453	1.435	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cn3ccccc3n2)C[C@H]1c1cncn1C	ZINC001131119741	940505624	/nfs/dbraw/zinc/50/56/24/940505624.db2.gz	SYCWQJWRKDNKSJ-HZPDHXFCSA-N	1	0	362.437	1.289	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)CCOC)C[C@H]1c1cncn1C	ZINC001131125753	940507992	/nfs/dbraw/zinc/50/79/92/940507992.db2.gz	KNDIBMABUWNESJ-GVDBMIGSSA-N	1	0	364.490	1.179	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)COCc2cccnc2)C[C@H]1c1cncn1C	ZINC001131115297	940508871	/nfs/dbraw/zinc/50/88/71/940508871.db2.gz	JHYANJIGTIDBNO-QZTJIDSGSA-N	1	0	369.469	1.492	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CNC(=O)CC(C)(C)C)C[C@H]1c1cncn1C	ZINC001131128167	940509905	/nfs/dbraw/zinc/50/99/05/940509905.db2.gz	UAGLOFHYZOCNBV-HUUCEWRRSA-N	1	0	361.490	1.043	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COC[C@@H]2CCCO2)C[C@H]1c1cncn1C	ZINC001131136461	940513430	/nfs/dbraw/zinc/51/34/30/940513430.db2.gz	OIYNMEAPTRUUDU-GVDBMIGSSA-N	1	0	362.474	1.076	20	30		FDEDRO
N#CCOc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCC(=O)N3)C2)cc1	ZINC001086659866	940517796	/nfs/dbraw/zinc/51/77/96/940517796.db2.gz	OELVJKLJRDBICO-LZLYRXPVSA-N	1	0	370.453	1.242	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCC(=O)N3)C2)c(F)c1	ZINC001086660422	940522949	/nfs/dbraw/zinc/52/29/49/940522949.db2.gz	OUZFVBRKSXFJBY-YSVLISHTSA-N	1	0	358.417	1.350	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3n[nH]c(C)c3C)C2)C1=O	ZINC001086662390	940538481	/nfs/dbraw/zinc/53/84/81/940538481.db2.gz	NIOFRIUHXBJUBI-XHSDSOJGSA-N	1	0	359.474	1.302	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCCCOC)C1	ZINC001131304270	940547842	/nfs/dbraw/zinc/54/78/42/940547842.db2.gz	JSBCTIAWRSCBCQ-ZACQAIPSSA-N	1	0	365.474	1.485	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)COCCCC)C1	ZINC001131304472	940547904	/nfs/dbraw/zinc/54/79/04/940547904.db2.gz	LJEUBUJRDGDNQK-ZACQAIPSSA-N	1	0	365.474	1.485	20	30		FDEDRO
C=CCN1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1	ZINC001131310509	940550389	/nfs/dbraw/zinc/55/03/89/940550389.db2.gz	UFVBIRGMHHCOHM-OAGGEKHMSA-N	1	0	364.490	1.009	20	30		FDEDRO
C=CCN1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1	ZINC001131310510	940550411	/nfs/dbraw/zinc/55/04/11/940550411.db2.gz	UFVBIRGMHHCOHM-XHSDSOJGSA-N	1	0	364.490	1.009	20	30		FDEDRO
C=C(C)CN1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1	ZINC001131316361	940550992	/nfs/dbraw/zinc/55/09/92/940550992.db2.gz	GJMIGDWUEXSIDK-ZACQAIPSSA-N	1	0	364.490	1.010	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CCC=C)C[C@H]32)C1	ZINC001131322885	940551784	/nfs/dbraw/zinc/55/17/84/940551784.db2.gz	FZORNEUCMSBPDF-ZACQAIPSSA-N	1	0	363.458	1.261	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC)CC1	ZINC001131401960	940561753	/nfs/dbraw/zinc/56/17/53/940561753.db2.gz	SFLVZVVRNRJVSF-XLIONFOSSA-N	1	0	363.502	1.583	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COC(C)C)CC1	ZINC001131441931	940590796	/nfs/dbraw/zinc/59/07/96/940590796.db2.gz	CZUXYGXQRAAQAE-MJGOQNOKSA-N	1	0	352.475	1.047	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)OC)CC1	ZINC001131437203	940601070	/nfs/dbraw/zinc/60/10/70/940601070.db2.gz	PKTVQCVMNKZNTO-WBVHZDCISA-N	1	0	353.463	1.294	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](CC)OC)CC1	ZINC001131448762	940602854	/nfs/dbraw/zinc/60/28/54/940602854.db2.gz	PYCIQOPUJCGBEE-KURKYZTESA-N	1	0	354.491	1.600	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cscn2)CC1	ZINC001131445119	940615639	/nfs/dbraw/zinc/61/56/39/940615639.db2.gz	KGUWGDBMEXMAJW-WBVHZDCISA-N	1	0	365.499	1.945	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)/C(C)=C\C)CC1	ZINC001131467661	940624030	/nfs/dbraw/zinc/62/40/30/940624030.db2.gz	JMOYWWVNKWWOHL-NVLKPSPDSA-N	1	0	361.486	1.076	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)/C(C)=C\C)CC1	ZINC001131467680	940624179	/nfs/dbraw/zinc/62/41/79/940624179.db2.gz	KVWNFFIMSZQCAB-NVLKPSPDSA-N	1	0	363.502	1.629	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2CC(C)C2)CC1	ZINC001131467749	940624504	/nfs/dbraw/zinc/62/45/04/940624504.db2.gz	OXOSZPIBXFIBLY-SYARIVLMSA-N	1	0	363.502	1.320	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)/C=C\C2CC2)CC1	ZINC001131467918	940624830	/nfs/dbraw/zinc/62/48/30/940624830.db2.gz	WWOXEAWFVMMVCD-PKKYDLFWSA-N	1	0	361.486	1.241	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2ccoc2)CC1	ZINC001131478805	940634818	/nfs/dbraw/zinc/63/48/18/940634818.db2.gz	LHSTZZPISBYNDX-QUCCMNQESA-N	1	0	360.454	1.458	20	30		FDEDRO
COCCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C#CC2CC2)CC1	ZINC001131493853	940644982	/nfs/dbraw/zinc/64/49/82/940644982.db2.gz	TZCSEHOSTFKGNE-QUCCMNQESA-N	1	0	364.486	1.049	20	30		FDEDRO
COC[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C#CC(C)(C)C)CC1	ZINC001131496109	940647547	/nfs/dbraw/zinc/64/75/47/940647547.db2.gz	PJIZLBNMTAPYPJ-SCTDSRPQSA-N	1	0	366.502	1.029	20	30		FDEDRO
CC[C@H](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NCC#N)CC1	ZINC001131496420	940647888	/nfs/dbraw/zinc/64/78/88/940647888.db2.gz	ZWAHGMPPCWSMNY-GMBSWORKSA-N	1	0	364.490	1.048	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=C)Cl)CC1	ZINC001131498960	940649920	/nfs/dbraw/zinc/64/99/20/940649920.db2.gz	WEEDKIULFTZDTN-OIISXLGYSA-N	1	0	354.878	1.763	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccncc1	ZINC000805806541	945337720	/nfs/dbraw/zinc/33/77/20/945337720.db2.gz	QKMQILFLFQHTDC-FBVQUNGASA-N	1	0	356.470	1.947	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)NC(=O)CC)CC1	ZINC001131506910	940669462	/nfs/dbraw/zinc/66/94/62/940669462.db2.gz	VXMGDDHWWFSGTJ-LESCRADOSA-N	1	0	351.491	1.463	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnc3n2CCC3)CC1	ZINC001131515363	940679697	/nfs/dbraw/zinc/67/96/97/940679697.db2.gz	GKUFVOBNICOJDP-APWZRJJASA-N	1	0	356.470	1.452	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCNC2=O)CC1	ZINC001131515318	940679838	/nfs/dbraw/zinc/67/98/38/940679838.db2.gz	CWZSEKVRXWBDPY-KURKYZTESA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn3ncccc23)CC1	ZINC001131515397	940680407	/nfs/dbraw/zinc/68/04/07/940680407.db2.gz	HYIZCLOFFNHCLD-MJGOQNOKSA-N	1	0	369.469	1.905	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCc2cc(C)on2)CC1	ZINC001131519071	940687664	/nfs/dbraw/zinc/68/76/64/940687664.db2.gz	DLNFMESTAATANT-MJGOQNOKSA-N	1	0	363.458	1.671	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnc[nH]c2=O)CC1	ZINC001131519180	940688279	/nfs/dbraw/zinc/68/82/79/940688279.db2.gz	IQTSMSQMACRRME-SJORKVTESA-N	1	0	360.458	1.748	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn(C)c2Cl)CC1	ZINC001131519148	940688342	/nfs/dbraw/zinc/68/83/42/940688342.db2.gz	HIHUFYLMGUMGQC-CVEARBPZSA-N	1	0	364.877	1.696	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)NC)CC1	ZINC001131512102	940694051	/nfs/dbraw/zinc/69/40/51/940694051.db2.gz	NJMMSKVTPARYIZ-LESCRADOSA-N	1	0	366.506	1.256	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2cnn(C)c2C)CC1	ZINC001131512272	940694560	/nfs/dbraw/zinc/69/45/60/940694560.db2.gz	WJSBASHQQBBAMV-QUCCMNQESA-N	1	0	360.502	1.833	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ncc(OC)cn2)CC1	ZINC001131528304	940698011	/nfs/dbraw/zinc/69/80/11/940698011.db2.gz	QPQPLODUSVQYSK-SJORKVTESA-N	1	0	358.442	1.108	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(OCC)no2)CC1	ZINC001131528435	940698272	/nfs/dbraw/zinc/69/82/72/940698272.db2.gz	WOQGEWLFIVYUTH-QAPCUYQASA-N	1	0	361.442	1.696	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(Cl)n(C)n2)CC1	ZINC001131528525	940698391	/nfs/dbraw/zinc/69/83/91/940698391.db2.gz	XMEPHAPQTXZLEY-PBHICJAKSA-N	1	0	364.877	1.696	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1	ZINC001131533696	940704692	/nfs/dbraw/zinc/70/46/92/940704692.db2.gz	RHIQBKHRJJDZIU-SXJNSPEGSA-N	1	0	360.498	1.972	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(F)CCCC2)CC1	ZINC001131522502	940705857	/nfs/dbraw/zinc/70/58/57/940705857.db2.gz	KSXNHZCMKUANQN-MSOLQXFVSA-N	1	0	366.477	1.904	20	30		FDEDRO
CC#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(=O)NC)CC1	ZINC001131546242	940722184	/nfs/dbraw/zinc/72/21/84/940722184.db2.gz	RTOJFFVSQLCJBN-WDYCEAGBSA-N	1	0	363.502	1.300	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NCC)CC1	ZINC001131538897	940726638	/nfs/dbraw/zinc/72/66/38/940726638.db2.gz	XZCQRUOHODQCTQ-AEFFLSMTSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N2CCC2)CC1	ZINC001131552357	940728757	/nfs/dbraw/zinc/72/87/57/940728757.db2.gz	LLPHJJCZUVDSDG-XLIONFOSSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCOC)CC1	ZINC001131567667	940743230	/nfs/dbraw/zinc/74/32/30/940743230.db2.gz	NEVKBLYQAXBTSP-YRXWBPOGSA-N	1	0	366.502	1.600	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(N)=O)CC1	ZINC001131572077	940748459	/nfs/dbraw/zinc/74/84/59/940748459.db2.gz	BPXKASDZCWJYBG-IMJJTQAJSA-N	1	0	351.491	1.448	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COC[C@@H]2CCOC2)CC1	ZINC001131573256	940749310	/nfs/dbraw/zinc/74/93/10/940749310.db2.gz	UGUJQCCSNMAPPW-POAQFYNOSA-N	1	0	366.502	1.601	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn(CC=C)nn2)CC1	ZINC001131577612	940754682	/nfs/dbraw/zinc/75/46/82/940754682.db2.gz	AFLUTHMQSYABIN-AEFFLSMTSA-N	1	0	357.458	1.087	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)CC1	ZINC001131578392	940755656	/nfs/dbraw/zinc/75/56/56/940755656.db2.gz	VHTVVZVLWSXVAN-NMLBUPMWSA-N	1	0	360.498	1.668	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn(CC3CC3)c2)CC1	ZINC001131590463	940759834	/nfs/dbraw/zinc/75/98/34/940759834.db2.gz	CBMCJHIZKOSENJ-UXHICEINSA-N	1	0	370.497	1.916	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2nnc[nH]2)CC1	ZINC001131590630	940760226	/nfs/dbraw/zinc/76/02/26/940760226.db2.gz	LUWGIFAQTSMFBC-OGWOLHLISA-N	1	0	361.490	1.688	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCCC(N)=O)CC1	ZINC001131590839	940760920	/nfs/dbraw/zinc/76/09/20/940760920.db2.gz	VQZJCQXEKNLHOM-XLIONFOSSA-N	1	0	365.518	1.984	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c3c(nn2C)CCC3)CC1	ZINC001131592888	940763968	/nfs/dbraw/zinc/76/39/68/940763968.db2.gz	ANXLSLWLGRRANU-QUCCMNQESA-N	1	0	370.497	1.531	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)c2cnc[nH]2)CC1	ZINC001131594793	940776753	/nfs/dbraw/zinc/77/67/53/940776753.db2.gz	FAKDVLKONUPXQR-AEFFLSMTSA-N	1	0	358.486	1.696	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cncc(F)c3)C2)C1=O	ZINC001086671955	940779484	/nfs/dbraw/zinc/77/94/84/940779484.db2.gz	YKUFPBFADQVRHC-IAOVAPTHSA-N	1	0	360.433	1.496	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn3cc[nH]c23)CC1	ZINC001131600119	940783930	/nfs/dbraw/zinc/78/39/30/940783930.db2.gz	YECAUKBOMKPHMP-SJORKVTESA-N	1	0	355.442	1.285	20	30		FDEDRO
C=CCCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H]2CCOC2)CC1	ZINC001131610280	940789806	/nfs/dbraw/zinc/78/98/06/940789806.db2.gz	JPLIHRFTIUWJJS-HQRMLTQVSA-N	1	0	366.502	1.601	20	30		FDEDRO
C=CCCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCC=C)CC1	ZINC001131610241	940789901	/nfs/dbraw/zinc/78/99/01/940789901.db2.gz	HBDJRSUCEBLZHF-QUCCMNQESA-N	1	0	366.502	1.767	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC23CCOCC3)CC1	ZINC001131615855	940794179	/nfs/dbraw/zinc/79/41/79/940794179.db2.gz	IUXPCDBWFSNSLL-QRVBRYPASA-N	1	0	360.498	1.812	20	30		FDEDRO
COc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2ccnn2C)cc1C#N	ZINC001131630768	940802515	/nfs/dbraw/zinc/80/25/15/940802515.db2.gz	PVZQNIJFEOIGSG-HZPDHXFCSA-N	1	0	353.426	1.310	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCO1	ZINC000809310455	940814874	/nfs/dbraw/zinc/81/48/74/940814874.db2.gz	JLYYKOPKKAPPOH-QYZOEREBSA-N	1	0	369.465	1.016	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1)[C@H]1CCCO1	ZINC000809313519	940817303	/nfs/dbraw/zinc/81/73/03/940817303.db2.gz	SWOZUUAEJNREPG-RTBURBONSA-N	1	0	371.481	1.394	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1C#N	ZINC000809503334	940845299	/nfs/dbraw/zinc/84/52/99/940845299.db2.gz	YHWPBWWNCJTHGK-KRWDZBQOSA-N	1	0	370.453	1.270	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)cc1C#N	ZINC000809502812	940845329	/nfs/dbraw/zinc/84/53/29/940845329.db2.gz	OPKSTZQKCPATIP-UHFFFAOYSA-N	1	0	370.453	1.174	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cc1C#N	ZINC000809504060	940846123	/nfs/dbraw/zinc/84/61/23/940846123.db2.gz	FKMODVOQLLXLFR-MRXNPFEDSA-N	1	0	358.442	1.172	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@H](c3ccccc3)OC2=O)c1C#N	ZINC000809579370	940859158	/nfs/dbraw/zinc/85/91/58/940859158.db2.gz	BOXXWCZRBMVKOH-XJKSGUPXSA-N	1	0	367.409	1.676	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)Cc1ccc(OCC(N)=O)cc1	ZINC000809731931	940888177	/nfs/dbraw/zinc/88/81/77/940888177.db2.gz	XPTVRFGFPJJMPE-UHFFFAOYSA-N	1	0	366.465	1.986	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1	ZINC000809823891	940910422	/nfs/dbraw/zinc/91/04/22/940910422.db2.gz	HBCFWKVGNRDDNE-MRXNPFEDSA-N	1	0	358.417	1.447	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H](C2CC[NH+](CC(=O)NCC#N)CC2)C1	ZINC000810086047	940948530	/nfs/dbraw/zinc/94/85/30/940948530.db2.gz	LZXXKCLUDYISLW-HNNXBMFYSA-N	1	0	350.463	1.595	20	30		FDEDRO
COc1ncccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1	ZINC001086676434	940948737	/nfs/dbraw/zinc/94/87/37/940948737.db2.gz	CCWUQHFUQHDJOQ-XJKSGUPXSA-N	1	0	353.426	1.978	20	30		FDEDRO
COc1ccnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)c1	ZINC001086676538	940948841	/nfs/dbraw/zinc/94/88/41/940948841.db2.gz	IOKQXIIWPVPNGT-DZGCQCFKSA-N	1	0	353.426	1.978	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc4n(n3)CCC4)C2)c[nH]1	ZINC001086676796	940949392	/nfs/dbraw/zinc/94/93/92/940949392.db2.gz	VWRQXVVHWCGFSZ-DZGCQCFKSA-N	1	0	352.442	1.717	20	30		FDEDRO
COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(F)c1C#N	ZINC000810098426	940952903	/nfs/dbraw/zinc/95/29/03/940952903.db2.gz	URBSCWSOFKFZLA-UHFFFAOYSA-N	1	0	369.462	1.819	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(N2CCCCC2=O)cc1	ZINC000810126214	940957594	/nfs/dbraw/zinc/95/75/94/940957594.db2.gz	UAGKIPQLHMKFGH-CQSZACIVSA-N	1	0	358.442	1.866	20	30		FDEDRO
N#Cc1csc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)n1	ZINC000810144576	940959093	/nfs/dbraw/zinc/95/90/93/940959093.db2.gz	YVFHUBQYBWJMAC-UHFFFAOYSA-N	1	0	350.416	1.369	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3c(C)ccn3C)C2)C1=O	ZINC001086681565	941032727	/nfs/dbraw/zinc/03/27/27/941032727.db2.gz	WBYLZIDWPYXHFY-BBWFWOEESA-N	1	0	358.486	1.609	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000810837626	941066738	/nfs/dbraw/zinc/06/67/38/941066738.db2.gz	JYIYAJZWUFZWIR-JKSUJKDBSA-N	1	0	364.467	1.935	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N3C[C@@H]4C[N@H+](C)CC[C@@H]4C3)CC2)o1	ZINC000812322657	941193063	/nfs/dbraw/zinc/19/30/63/941193063.db2.gz	JGSMNPGIMJOSTP-CVEARBPZSA-N	1	0	357.458	1.481	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC[NH2+]CC(N)=O)Cc1cccc(Cl)c1	ZINC001133405949	941256804	/nfs/dbraw/zinc/25/68/04/941256804.db2.gz	YLQBSXGYLBAWKJ-CVEARBPZSA-N	1	0	365.861	1.335	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC[NH2+]CCO)Cc1cccc(Cl)c1	ZINC001133405930	941256843	/nfs/dbraw/zinc/25/68/43/941256843.db2.gz	XSUYPDNUIRTNFT-SJORKVTESA-N	1	0	352.862	1.842	20	30		FDEDRO
C#C[C@H](NC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1)c1ccc(F)cc1	ZINC000812755080	941268950	/nfs/dbraw/zinc/26/89/50/941268950.db2.gz	LGSYKYSWPZXSIY-UHOSZYNNSA-N	1	0	371.456	1.949	20	30		FDEDRO
C#C[C@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(F)cc1	ZINC000812884969	941286545	/nfs/dbraw/zinc/28/65/45/941286545.db2.gz	GKGKIMVZZGEITP-SFHVURJKSA-N	1	0	374.460	1.742	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)CC1	ZINC000747825249	941287767	/nfs/dbraw/zinc/28/77/67/941287767.db2.gz	VURQYYWMYGLUOD-CABCVRRESA-N	1	0	359.445	1.853	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)c1ccc(F)cc1	ZINC000813038225	941314029	/nfs/dbraw/zinc/31/40/29/941314029.db2.gz	SUFNMPKLOJWCAK-KRWDZBQOSA-N	1	0	363.352	1.836	20	30		FDEDRO
COc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2cncn2C)cc1C#N	ZINC001134049953	941538094	/nfs/dbraw/zinc/53/80/94/941538094.db2.gz	WRKVKKJEGMETRJ-HZPDHXFCSA-N	1	0	353.426	1.310	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)c1ccc(F)cc1Cl	ZINC001134052752	941539547	/nfs/dbraw/zinc/53/95/47/941539547.db2.gz	AZNZJOMQPCBJRL-BMFZPTHFSA-N	1	0	356.825	1.809	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@H](O)COc2cccc(C(C)=O)c2)CC1	ZINC000747968437	941701655	/nfs/dbraw/zinc/70/16/55/941701655.db2.gz	JJAYSFMCCBYMKW-SFHVURJKSA-N	1	0	358.438	1.090	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1	ZINC000747983203	941730209	/nfs/dbraw/zinc/73/02/09/941730209.db2.gz	FFNHHPMAOOAQKG-OXJNMPFZSA-N	1	0	362.518	1.668	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CC[C@H](C#N)C1	ZINC000815065575	941772289	/nfs/dbraw/zinc/77/22/89/941772289.db2.gz	HOCVTXWJHAGECN-LSDHHAIUSA-N	1	0	350.463	1.690	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2C[C@H]2c2ccccc2OC)C1=O	ZINC001135030638	941863271	/nfs/dbraw/zinc/86/32/71/941863271.db2.gz	RJPVRKHYGVENPF-GVDBMIGSSA-N	1	0	357.454	1.291	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CCOC[C@@H]1CCCCO1	ZINC001135067578	941883530	/nfs/dbraw/zinc/88/35/30/941883530.db2.gz	BUASFWHAYBPHDR-BZSNNMDCSA-N	1	0	354.491	1.649	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]Cc1cn(C)nc1C(F)F	ZINC001135060493	941886909	/nfs/dbraw/zinc/88/69/09/941886909.db2.gz	BHTBRRBFAYPTKQ-ZFWWWQNUSA-N	1	0	356.417	1.935	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)N1CCc2ccccc21	ZINC001135145235	941929147	/nfs/dbraw/zinc/92/91/47/941929147.db2.gz	DAPAVINHSBTIRY-AYBZRNKSSA-N	1	0	371.481	1.651	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1nc(CC(C)(C)C)cs1	ZINC000815860315	941996188	/nfs/dbraw/zinc/99/61/88/941996188.db2.gz	GOVGYXKKCHJNQM-UHFFFAOYSA-N	1	0	350.488	1.742	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Oc2cccnc2)cc1	ZINC000815861431	941996905	/nfs/dbraw/zinc/99/69/05/941996905.db2.gz	IMBYNQMKGVUWRX-UHFFFAOYSA-N	1	0	366.421	1.884	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCC(=O)NC3)C2)c1	ZINC001086740733	942181612	/nfs/dbraw/zinc/18/16/12/942181612.db2.gz	NHXCMLRNZWJLQC-RCCFBDPRSA-N	1	0	354.454	1.459	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C)c(C)n3)C2)C1=O	ZINC001086759398	942380716	/nfs/dbraw/zinc/38/07/16/942380716.db2.gz	DVMBJRVEFYVNNI-YQVWRLOYSA-N	1	0	370.497	1.973	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCNC(=O)CC2)C1	ZINC001086767646	942442880	/nfs/dbraw/zinc/44/28/80/942442880.db2.gz	UWPYGAUBNOXFKH-FRQCXROJSA-N	1	0	368.481	1.849	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@@H]3CCc4ncnn43)C2)cc1	ZINC001086773695	942461557	/nfs/dbraw/zinc/46/15/57/942461557.db2.gz	BASFDSFNIZWIPY-UHOSZYNNSA-N	1	0	363.465	1.935	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H]3CCN(CC=C)C3=O)C2)cc1	ZINC001086774011	942463275	/nfs/dbraw/zinc/46/32/75/942463275.db2.gz	PZFUVNXJWDMHTJ-SXLOBPIMSA-N	1	0	365.477	1.943	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCNC3=O)C2)c(F)c1	ZINC001086776475	942473293	/nfs/dbraw/zinc/47/32/93/942473293.db2.gz	HVFICCWHZCMFSN-NUEKZKHPSA-N	1	0	358.417	1.208	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCNC2=O)C1	ZINC001086776998	942474887	/nfs/dbraw/zinc/47/48/87/942474887.db2.gz	YIKGGYRKBQJKHY-JCURWCKSSA-N	1	0	358.417	1.208	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)cc1F	ZINC001086779072	942477284	/nfs/dbraw/zinc/47/72/84/942477284.db2.gz	WSRBUXSDUDRNDJ-LPNZSRGHSA-N	1	0	357.429	1.964	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1	ZINC000817843924	943007618	/nfs/dbraw/zinc/00/76/18/943007618.db2.gz	LRMPCSNEZNTGKQ-AZUAARDMSA-N	1	0	365.477	1.759	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1	ZINC000817843926	943007650	/nfs/dbraw/zinc/00/76/50/943007650.db2.gz	LRMPCSNEZNTGKQ-QUCCMNQESA-N	1	0	365.477	1.759	20	30		FDEDRO
N#Cc1cc(N[C@H](C2CC2)[C@H]2C[NH2+]CCO2)ccc1N1CCC(O)CC1	ZINC000817920568	943077901	/nfs/dbraw/zinc/07/79/01/943077901.db2.gz	PRFBXEDTHRLUAO-WOJBJXKFSA-N	1	0	356.470	1.698	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1)C1CCCC1	ZINC000817979653	943115138	/nfs/dbraw/zinc/11/51/38/943115138.db2.gz	CLOMXJBCGMCIGS-RBUKOAKNSA-N	1	0	371.456	1.873	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1F	ZINC000818007953	943142502	/nfs/dbraw/zinc/14/25/02/943142502.db2.gz	LCZAAWVTWVPAPR-SJKOYZFVSA-N	1	0	369.462	1.347	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@]12C[C@H]1COC2	ZINC001170887761	943166915	/nfs/dbraw/zinc/16/69/15/943166915.db2.gz	JPIGOWWFDGQCFT-UWVAXJGDSA-N	1	0	365.518	1.712	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(S(C)(=O)=O)o2)C1	ZINC001086819141	943170592	/nfs/dbraw/zinc/17/05/92/943170592.db2.gz	RIKCBTBNBJVVPF-NWDGAFQWSA-N	1	0	360.863	1.924	20	30		FDEDRO
C[C@H](C[NH3+])C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1	ZINC000818465376	943269080	/nfs/dbraw/zinc/26/90/80/943269080.db2.gz	HAZNGBYJWZKYAN-SFKFPXOQSA-N	1	0	366.487	1.813	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12	ZINC000818584249	943294322	/nfs/dbraw/zinc/29/43/22/943294322.db2.gz	JRKSDMRIHUZSBL-UHFFFAOYSA-N	1	0	356.382	1.593	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1	ZINC000818589330	943296226	/nfs/dbraw/zinc/29/62/26/943296226.db2.gz	WWPBOBWVIBKULI-INIZCTEOSA-N	1	0	361.873	1.760	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H]3CCN(C)C3=O)C2)cc1	ZINC001086821949	943319245	/nfs/dbraw/zinc/31/92/45/943319245.db2.gz	JDFSJRZYJUGZJL-KVSKMBFKSA-N	1	0	369.465	1.417	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)CSc1nnc(-c2ccc(OC)cc2)o1	ZINC000818593107	943323826	/nfs/dbraw/zinc/32/38/26/943323826.db2.gz	MKZPMFPUYBTOAD-UHFFFAOYSA-N	1	0	374.466	1.909	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCCN1C(=O)c1ccc(OC)cc1	ZINC000818595588	943326631	/nfs/dbraw/zinc/32/66/31/943326631.db2.gz	BZBIKULGPKCDGQ-GOSISDBHSA-N	1	0	357.454	1.371	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O	ZINC000818595962	943326890	/nfs/dbraw/zinc/32/68/90/943326890.db2.gz	WSEDQAPMYIEANH-AWEZNQCLSA-N	1	0	363.483	1.082	20	30		FDEDRO
CC(=O)c1cccc(OC[C@@H](O)C[NH2+]CCNc2ccc(C#N)cn2)c1	ZINC000818952123	943361791	/nfs/dbraw/zinc/36/17/91/943361791.db2.gz	DZLSRWNBVPKQMK-KRWDZBQOSA-N	1	0	354.410	1.597	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncc(C)cn3)C2)nn1	ZINC001086823803	943369780	/nfs/dbraw/zinc/36/97/80/943369780.db2.gz	WXYNYMHZFJMSJB-LSDHHAIUSA-N	1	0	355.446	1.251	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCCCN(C(=O)OC(C)(C)C)C1	ZINC000819062321	943426398	/nfs/dbraw/zinc/42/63/98/943426398.db2.gz	WSGSEUSMKPQZNU-JKSUJKDBSA-N	1	0	354.495	1.572	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1	ZINC000819142409	943437818	/nfs/dbraw/zinc/43/78/18/943437818.db2.gz	ZAQASSUAXJNVQL-ZDUSSCGKSA-N	1	0	353.344	1.540	20	30		FDEDRO
COc1ccc(C[NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)cc1C#N	ZINC000819183427	943466376	/nfs/dbraw/zinc/46/63/76/943466376.db2.gz	WQSGLRPCBFWKRS-UHFFFAOYSA-N	1	0	368.455	1.413	20	30		FDEDRO
C[C@H](CNC(=O)OC(C)(C)C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000819236771	943475633	/nfs/dbraw/zinc/47/56/33/943475633.db2.gz	NZFABOLLVJGZLE-GFCCVEGCSA-N	1	0	368.459	1.230	20	30		FDEDRO
C#CC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)CN1C(=O)c2ccccc2C1=O	ZINC000819305057	943510417	/nfs/dbraw/zinc/51/04/17/943510417.db2.gz	LNBQRMDMMQGVPD-MSOLQXFVSA-N	1	0	362.429	1.868	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCCC2)C1	ZINC001086826471	943544231	/nfs/dbraw/zinc/54/42/31/943544231.db2.gz	RKDKZMPPXVVILV-ZMMAXQRCSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ncnn2CC)C1	ZINC001086826610	943544385	/nfs/dbraw/zinc/54/43/85/943544385.db2.gz	ZCTDHQDLFGLJSP-DFGXFYAUSA-N	1	0	361.490	1.654	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3c(C)n[nH]c3C)C2)C1=O	ZINC001086830648	943721163	/nfs/dbraw/zinc/72/11/63/943721163.db2.gz	NOCQZSYRECIILD-XHSDSOJGSA-N	1	0	359.474	1.302	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CCN2Cc2ccc(OC)cc2)CC1	ZINC000820192915	943944553	/nfs/dbraw/zinc/94/45/53/943944553.db2.gz	GYCAMFLTIVBLOA-HXUWFJFHSA-N	1	0	355.482	1.873	20	30		FDEDRO
CCOC(=O)CNC(=S)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC001195579260	971050001	/nfs/dbraw/zinc/05/00/01/971050001.db2.gz	SNSUQYIPAAIWIR-UHFFFAOYSA-N	1	0	360.483	1.550	20	30		FDEDRO
C[C@@H](C(=O)N[C@H]1CCCN(O)C1=O)[NH+]1CCC(Cc2ccccc2)CC1	ZINC000820482190	944066645	/nfs/dbraw/zinc/06/66/45/944066645.db2.gz	FPYMOQQFEFZPRP-YJBOKZPZSA-N	1	0	359.470	1.826	20	30		FDEDRO
C#C[C@@H](NC(=O)NCC1(O)CC[NH+](C)CC1)c1ccc(Cl)cc1F	ZINC000820737529	944195143	/nfs/dbraw/zinc/19/51/43/944195143.db2.gz	FTIGTJUEUOYGHF-OAHLLOKOSA-N	1	0	353.825	1.909	20	30		FDEDRO
CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)nn1	ZINC001086840469	944286218	/nfs/dbraw/zinc/28/62/18/944286218.db2.gz	GGOBKEMGDBUSRC-GOEBONIOSA-N	1	0	370.432	1.997	20	30		FDEDRO
CC[N@H+](CCNC(=O)C(=NOC)c1csc(N)n1)CCC(F)(F)F	ZINC000822420496	944990291	/nfs/dbraw/zinc/99/02/91/944990291.db2.gz	XMANYMTUPCSFFN-UHFFFAOYSA-N	1	0	367.397	1.466	20	30		FDEDRO
C#CCCOc1ccc(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1	ZINC000823003269	945377271	/nfs/dbraw/zinc/37/72/71/945377271.db2.gz	DPFQUXFYSNFJME-QGZVFWFLSA-N	1	0	357.454	1.406	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2CC)CC1	ZINC001136770431	945977183	/nfs/dbraw/zinc/97/71/83/945977183.db2.gz	QLMOPCWEYVXDTG-QGZVFWFLSA-N	1	0	373.497	1.805	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)C[C@H]2CCC[N@@H+]2C)s1	ZINC000823753817	945988583	/nfs/dbraw/zinc/98/85/83/945988583.db2.gz	YBBAYFDUXFXYTC-CYBMUJFWSA-N	1	0	371.528	1.308	20	30		FDEDRO
O=C(NCC[NH2+]Cc1ccc2c(c1)OCCCCO2)C1N=CC=CC1=O	ZINC000823860722	946053306	/nfs/dbraw/zinc/05/33/06/946053306.db2.gz	JFSSQUZOQRRAGC-HNENSFHCSA-N	1	0	357.410	1.854	20	30		FDEDRO
CCCCCC[N@H+](C)CC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C	ZINC001090750246	946229713	/nfs/dbraw/zinc/22/97/13/946229713.db2.gz	DLWYXSKDOQWSTQ-NVXWUHKLSA-N	1	0	358.490	1.801	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NCC[C@@H](C)[NH+](C)C)s1	ZINC000824432175	946411543	/nfs/dbraw/zinc/41/15/43/946411543.db2.gz	PGQWBIMGJVBHIH-GFCCVEGCSA-N	1	0	359.517	1.211	20	30		FDEDRO
C[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C	ZINC001090780755	946577630	/nfs/dbraw/zinc/57/76/30/946577630.db2.gz	PKMNAVCOFIPSJZ-XWIASGKRSA-N	1	0	367.906	1.949	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573283118	946707394	/nfs/dbraw/zinc/70/73/94/946707394.db2.gz	FFVIDULPDRAXBF-HNNXBMFYSA-N	1	0	354.458	1.997	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573283226	946709399	/nfs/dbraw/zinc/70/93/99/946709399.db2.gz	GGWGEVKDORKTIB-CRAIPNDOSA-N	1	0	366.469	1.997	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@@H](CC[NH2+]Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573284826	946757549	/nfs/dbraw/zinc/75/75/49/946757549.db2.gz	MOTAALOPDURSJT-MRXNPFEDSA-N	1	0	366.469	1.998	20	30		FDEDRO
C=C(Br)C[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001573291539	946921725	/nfs/dbraw/zinc/92/17/25/946921725.db2.gz	FQDGCDZUMXSVCX-RKDXNWHRSA-N	1	0	368.239	1.200	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN([C@H](C)C(=O)N(CC)CC)C[C@H]2O)CC1	ZINC001195876293	971299776	/nfs/dbraw/zinc/29/97/76/971299776.db2.gz	JZMYMXDVCRRVSQ-DJIMGWMZSA-N	1	0	351.491	1.151	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1	ZINC001573292773	946939775	/nfs/dbraw/zinc/93/97/75/946939775.db2.gz	BQZZBEAZCOWCON-LLVKDONJSA-N	1	0	364.475	1.097	20	30		FDEDRO
C[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1	ZINC001090811694	946941492	/nfs/dbraw/zinc/94/14/92/946941492.db2.gz	RUCHCIRFOWHUHY-ZYHUDNBSSA-N	1	0	367.906	1.951	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1CC[C@H]([C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573293087	946946880	/nfs/dbraw/zinc/94/68/80/946946880.db2.gz	LWXHKXDBIOSXDD-KGLIPLIRSA-N	1	0	369.473	1.935	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+](CCCCCn3cncn3)C[C@H]2O)CCC1	ZINC001195939612	971309829	/nfs/dbraw/zinc/30/98/29/971309829.db2.gz	BWIRVQXSNSMHJG-IAGOWNOFSA-N	1	0	361.490	1.356	20	30		FDEDRO
C=C(Cl)C[N@@H+](CCCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(C)C	ZINC001573295256	947010745	/nfs/dbraw/zinc/01/07/45/947010745.db2.gz	MYZKBTFOTFVWJS-UHFFFAOYSA-N	1	0	351.842	1.778	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1	ZINC001573566004	947018801	/nfs/dbraw/zinc/01/88/01/947018801.db2.gz	YUAABIIJXCEAMW-CYBMUJFWSA-N	1	0	353.430	1.355	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001573566504	947027615	/nfs/dbraw/zinc/02/76/15/947027615.db2.gz	COGIYTSKPMDLKE-GDBMZVCRSA-N	1	0	367.457	1.887	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@@H](C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573566969	947035363	/nfs/dbraw/zinc/03/53/63/947035363.db2.gz	INOCDWLXRSOWSG-HOCLYGCPSA-N	1	0	367.457	1.697	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573566917	947035468	/nfs/dbraw/zinc/03/54/68/947035468.db2.gz	HPLCNRQWRVANOI-RHSMWYFYSA-N	1	0	367.457	1.839	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1	ZINC001573567202	947038490	/nfs/dbraw/zinc/03/84/90/947038490.db2.gz	KAOYJDSQMVWIAB-KUHUBIRLSA-N	1	0	365.441	1.451	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1	ZINC001573567766	947055191	/nfs/dbraw/zinc/05/51/91/947055191.db2.gz	SFWZTTHSABSITQ-OCCSQVGLSA-N	1	0	371.420	1.588	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1	ZINC001573568178	947067847	/nfs/dbraw/zinc/06/78/47/947067847.db2.gz	YXTHDEKCYPOHSR-WCQYABFASA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1	ZINC001573568238	947070009	/nfs/dbraw/zinc/07/00/09/947070009.db2.gz	ZTWFUQYJXUISMP-RYUDHWBXSA-N	1	0	359.459	1.416	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21	ZINC001573570085	947083218	/nfs/dbraw/zinc/08/32/18/947083218.db2.gz	KIDULKQKZSTOBE-VBNZEHGJSA-N	1	0	351.414	1.059	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@](C)(C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CC1	ZINC001573570884	947095792	/nfs/dbraw/zinc/09/57/92/947095792.db2.gz	WHFUJZBNLXBKNV-ADLMAVQZSA-N	1	0	371.420	1.540	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573571900	947104751	/nfs/dbraw/zinc/10/47/51/947104751.db2.gz	BIQGALBEJMESAI-GTNSWQLSSA-N	1	0	357.393	1.246	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@H](NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(C)(C)C	ZINC001573300329	947108285	/nfs/dbraw/zinc/10/82/85/947108285.db2.gz	XSXSHEDRYQFHLX-LBPRGKRZSA-N	1	0	351.842	1.681	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)OCC	ZINC001573300514	947112675	/nfs/dbraw/zinc/11/26/75/947112675.db2.gz	QTORUIQWYXTXCW-XJKCOSOUSA-N	1	0	371.445	1.114	20	30		FDEDRO
C=CC(C)(C)C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1	ZINC001573301205	947133254	/nfs/dbraw/zinc/13/32/54/947133254.db2.gz	UBBRNBKULXRQOE-INIZCTEOSA-N	1	0	372.473	1.330	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCC1	ZINC001573576956	947158415	/nfs/dbraw/zinc/15/84/15/947158415.db2.gz	KKGBXEWSNBZOND-NSHDSACASA-N	1	0	357.393	1.294	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)c1ccccc1	ZINC001573577994	947178563	/nfs/dbraw/zinc/17/85/63/947178563.db2.gz	WZPWXTRUOVFFHE-BLLLJJGKSA-N	1	0	362.397	1.113	20	30		FDEDRO
COc1cc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)ccc1C#N	ZINC000825369793	947197947	/nfs/dbraw/zinc/19/79/47/947197947.db2.gz	FVLSWGWFKDWHNO-MRXNPFEDSA-N	1	0	356.426	1.121	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573583126	947201218	/nfs/dbraw/zinc/20/12/18/947201218.db2.gz	JXEZEFZIIWYXCZ-KGLIPLIRSA-N	1	0	353.430	1.355	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)[C@@H]1C	ZINC001573309547	947203794	/nfs/dbraw/zinc/20/37/94/947203794.db2.gz	KKOTUYDWENYQKL-ACWOFJMJSA-N	1	0	370.457	1.273	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573584569	947227507	/nfs/dbraw/zinc/22/75/07/947227507.db2.gz	YGYHABSWHQPXMG-WCQYABFASA-N	1	0	357.393	1.104	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1	ZINC001573584871	947237054	/nfs/dbraw/zinc/23/70/54/947237054.db2.gz	AJIOIBIPQYIKJP-IJLUTSLNSA-N	1	0	359.459	1.605	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573584971	947240762	/nfs/dbraw/zinc/24/07/62/947240762.db2.gz	IFUDMRLXESWERU-RAIGVLPGSA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573585075	947244743	/nfs/dbraw/zinc/24/47/43/947244743.db2.gz	KDCREHYXFWSMJX-DRZSPHRISA-N	1	0	357.393	1.150	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C(C)C	ZINC001573315227	947246882	/nfs/dbraw/zinc/24/68/82/947246882.db2.gz	KDZGJURITQKGOF-XJKSGUPXSA-N	1	0	357.462	1.839	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573585601	947262349	/nfs/dbraw/zinc/26/23/49/947262349.db2.gz	SRRQMXOHXIVAOC-APHBMKBZSA-N	1	0	353.430	1.543	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1c1ccc(OC)cc1	ZINC001090862202	947298537	/nfs/dbraw/zinc/29/85/37/947298537.db2.gz	DYZHCWJHXHIOKQ-RBUKOAKNSA-N	1	0	369.469	1.837	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1c1ccc(OC)cc1	ZINC001090862719	947328563	/nfs/dbraw/zinc/32/85/63/947328563.db2.gz	MHQMGNFGAIWCRQ-ZWKOTPCHSA-N	1	0	355.442	1.447	20	30		FDEDRO
C=CCC1(C(=O)NC[C@H](C)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CCC1	ZINC001573326566	947374713	/nfs/dbraw/zinc/37/47/13/947374713.db2.gz	QSBOPUDOHHCCII-ZDUSSCGKSA-N	1	0	355.446	1.655	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1c1ccc(OC)cc1	ZINC001090868485	947378431	/nfs/dbraw/zinc/37/84/31/947378431.db2.gz	IXSVDSSEHBPJSJ-RBUKOAKNSA-N	1	0	359.470	1.097	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2NCC#N)cc1	ZINC001090871359	947434658	/nfs/dbraw/zinc/43/46/58/947434658.db2.gz	QGRXNCMWOVNVNC-SLFFLAALSA-N	1	0	368.481	1.445	20	30		FDEDRO
C=CCCCC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1	ZINC001573335042	947469018	/nfs/dbraw/zinc/46/90/18/947469018.db2.gz	VMAFLYXUCFVGSM-DZGCQCFKSA-N	1	0	355.446	1.689	20	30		FDEDRO
C=CCCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573335698	947488142	/nfs/dbraw/zinc/48/81/42/947488142.db2.gz	SVOXYRPNFCNACX-CJNGLKHVSA-N	1	0	357.462	1.991	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N(CCC)[C@@H]2CC[N@H+](C)C2)c1	ZINC000843992634	947540941	/nfs/dbraw/zinc/54/09/41/947540941.db2.gz	SONRDFVHLXBKBX-MRXNPFEDSA-N	1	0	363.483	1.154	20	30		FDEDRO
C#C[C@H](NC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1)c1ccccc1	ZINC000843967356	947548442	/nfs/dbraw/zinc/54/84/42/947548442.db2.gz	LSSVGIYHIIOVNY-FHWLQOOXSA-N	1	0	353.466	1.810	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573343327	947554412	/nfs/dbraw/zinc/55/44/12/947554412.db2.gz	MYZAGFIIEPMAIN-NVXWUHKLSA-N	1	0	370.457	1.444	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2OC)C[C@H]1c1ccc(OC)cc1	ZINC001090877136	947565802	/nfs/dbraw/zinc/56/58/02/947565802.db2.gz	KIJJFJAESOVHJD-FUHWJXTLSA-N	1	0	370.453	1.821	20	30		FDEDRO
C=CCOCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1	ZINC001573349134	947592641	/nfs/dbraw/zinc/59/26/41/947592641.db2.gz	ZHIYQFLTVDAJPZ-ZIAGYGMSSA-N	1	0	373.461	1.228	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc(OC)nc2)C[C@H]1c1ccc(OC)cc1	ZINC001090884565	947645670	/nfs/dbraw/zinc/64/56/70/947645670.db2.gz	BRJHUWPFZGHNES-ZWKOTPCHSA-N	1	0	366.421	1.325	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)nn2)C[C@H]1c1ccc(OC)cc1	ZINC001090885001	947653891	/nfs/dbraw/zinc/65/38/91/947653891.db2.gz	QZOAPELEJXMGQL-FUHWJXTLSA-N	1	0	366.421	1.325	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2ncccn2)C[C@H]1c1ccc(OC)cc1	ZINC001090882240	947690871	/nfs/dbraw/zinc/69/08/71/947690871.db2.gz	ABWYFROGBFMDFB-RBUKOAKNSA-N	1	0	364.449	1.635	20	30		FDEDRO
CO[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+]1CCCC1	ZINC001090892501	947747665	/nfs/dbraw/zinc/74/76/65/947747665.db2.gz	RNFXVGFNQUSWCO-ZHALLVOQSA-N	1	0	371.485	1.393	20	30		FDEDRO
CO[C@@H]1CN(c2nc(C)ccc2C#N)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C	ZINC001090905065	947906646	/nfs/dbraw/zinc/90/66/46/947906646.db2.gz	KLRKVTHYNCPHTN-ZACQAIPSSA-N	1	0	359.474	1.168	20	30		FDEDRO
C[N@H+](CCN1C(=O)NC2(CCCC2)C1=O)C[C@@H](O)c1cccc(C#N)c1	ZINC000844371250	947998276	/nfs/dbraw/zinc/99/82/76/947998276.db2.gz	XDZVGOKNYQHMLW-MRXNPFEDSA-N	1	0	356.426	1.388	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)CN(C)C[C@@H](O)c2cccc(C#N)c2)CC1	ZINC000844367607	948017452	/nfs/dbraw/zinc/01/74/52/948017452.db2.gz	AIRUNYYTDWPRIH-LJQANCHMSA-N	1	0	358.486	1.512	20	30		FDEDRO
C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1cccc(C#N)c1	ZINC000844369019	948019830	/nfs/dbraw/zinc/01/98/30/948019830.db2.gz	XAYRAPAGCMGDMP-PKOBYXMFSA-N	1	0	371.393	1.872	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1	ZINC000964007948	1013083371	/nfs/dbraw/zinc/08/33/71/1013083371.db2.gz	KVVPXJSXJBFEIO-ZKXLYKBJSA-N	1	0	363.502	1.320	20	30		FDEDRO
CN1CC[NH+](C[C@@H]2Cn3ccnc3CN(Cc3cncc(C#N)c3)C2)CC1	ZINC001144080330	948200741	/nfs/dbraw/zinc/20/07/41/948200741.db2.gz	IPNADHKGQBIUNP-IBGZPJMESA-N	1	0	365.485	1.029	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(-n3cccn3)c2)C1	ZINC001196131974	971468617	/nfs/dbraw/zinc/46/86/17/971468617.db2.gz	RFZODYGTANHLFJ-DJIMGWMZSA-N	1	0	355.442	1.397	20	30		FDEDRO
COCCN1CC2(CC[NH+](Cc3ccc(C#N)cn3)CC2)[C@@H](COC)C1=O	ZINC001144158950	948302686	/nfs/dbraw/zinc/30/26/86/948302686.db2.gz	VRGRONCLFHTQKS-SFHVURJKSA-N	1	0	372.469	1.287	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3COC[C@@H](CC(=O)NCC4CC4)[C@@H]3C2)nc1	ZINC001144159063	948303079	/nfs/dbraw/zinc/30/30/79/948303079.db2.gz	WZIIBNGZHMVEAT-LMMKCTJWSA-N	1	0	354.454	1.564	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCC[C@]3(CO[C@H](C(=O)N4CCOCC4)C3)C2)nc1	ZINC001144160428	948304855	/nfs/dbraw/zinc/30/48/55/948304855.db2.gz	KCSNBLWLTZEEED-AZUAARDMSA-N	1	0	370.453	1.183	20	30		FDEDRO
Cn1cc(N2CC[C@]3(CCC[N@H+](Cc4ccc(C#N)cn4)C3)C2=O)cn1	ZINC001144160658	948305522	/nfs/dbraw/zinc/30/55/22/948305522.db2.gz	QEXVQWGJKKIPAD-IBGZPJMESA-N	1	0	350.426	1.706	20	30		FDEDRO
C#C[C@@H]1COCCN1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1=O	ZINC000844708636	948311337	/nfs/dbraw/zinc/31/13/37/948311337.db2.gz	SKCZWUVIGWMXOE-ZCNNSNEGSA-N	1	0	353.466	1.258	20	30		FDEDRO
N#Cc1ccc(N2C[C@H]3OCCN(C(=O)CCC[NH+]4CCCC4)[C@H]3C2)cn1	ZINC001091045888	948605534	/nfs/dbraw/zinc/60/55/34/948605534.db2.gz	ZFKRFDUSIOBZNX-RBUKOAKNSA-N	1	0	369.469	1.245	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccnc(C#N)c1	ZINC000845241256	948931041	/nfs/dbraw/zinc/93/10/41/948931041.db2.gz	OJLWMODTHYPCTA-OAHLLOKOSA-N	1	0	362.430	1.841	20	30		FDEDRO
O=C(NCCNC(=O)C1N=CC=CC1=O)c1ccc(NC2=[NH+]CCC2)cc1	ZINC001144428791	949180627	/nfs/dbraw/zinc/18/06/27/949180627.db2.gz	BTNKENLJOFKNIF-HTXNQAPBSA-N	1	0	367.409	1.547	20	30		FDEDRO
CC(C)(C)C#CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573793758	949307717	/nfs/dbraw/zinc/30/77/17/949307717.db2.gz	YJOLFLQQZCPVED-QGZVFWFLSA-N	1	0	366.469	1.997	20	30		FDEDRO
C[C@H]([NH3+])CCNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000857113864	971587120	/nfs/dbraw/zinc/58/71/20/971587120.db2.gz	JKPKTAFEYKCHIE-LBPRGKRZSA-N	1	0	358.402	1.375	20	30		FDEDRO
CC(C)(C#N)c1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1	ZINC000845843568	950016370	/nfs/dbraw/zinc/01/63/70/950016370.db2.gz	YYDYXXPSWMUNOA-JKSUJKDBSA-N	1	0	363.483	1.629	20	30		FDEDRO
CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H](C)C#N	ZINC001574153964	950156874	/nfs/dbraw/zinc/15/68/74/950156874.db2.gz	YOYMMJNOBGXFHK-DZGCQCFKSA-N	1	0	355.446	1.647	20	30		FDEDRO
C=CC[C@H]1CC[C@H]([NH2+]CC(=O)Nc2cccc(S(=O)(=O)NC)c2)C1	ZINC000846053929	950417811	/nfs/dbraw/zinc/41/78/11/950417811.db2.gz	YPFNDIWQYAEASX-KBPBESRZSA-N	1	0	351.472	1.868	20	30		FDEDRO
C[C@H](CNC(=O)c1cc(C#N)c[nH]1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1	ZINC001574994870	950495943	/nfs/dbraw/zinc/49/59/43/950495943.db2.gz	ATRAUNMGRQOCLT-GFCCVEGCSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[C@H](Cc1cccc(C#N)c1)N1CCn2c(CN3CCOCC3)nnc2C1	ZINC001171211710	950513244	/nfs/dbraw/zinc/51/32/44/950513244.db2.gz	GXTOEWCRBMOYRF-MRXNPFEDSA-N	1	0	366.469	1.429	20	30		FDEDRO
C[C@@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1ccccc1C#N	ZINC001574754766	950583955	/nfs/dbraw/zinc/58/39/55/950583955.db2.gz	PPAKIIPTNHMWRW-LBPRGKRZSA-N	1	0	364.413	1.317	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)CCc2ccccc2)C[C@H]1O	ZINC001196473868	971701431	/nfs/dbraw/zinc/70/14/31/971701431.db2.gz	COHQXBNGVCNVPI-IPMKNSEASA-N	1	0	360.498	1.744	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)C1CCCC1	ZINC000846352404	950985639	/nfs/dbraw/zinc/98/56/39/950985639.db2.gz	AFZVSFXOMBDLQY-BQFCYCMXSA-N	1	0	361.486	1.136	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1	ZINC001570995510	950986307	/nfs/dbraw/zinc/98/63/07/950986307.db2.gz	ITYRYLBNVMLXPF-RYUDHWBXSA-N	1	0	359.459	1.559	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@@H]3CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]32)n1	ZINC001091219553	951013407	/nfs/dbraw/zinc/01/34/07/951013407.db2.gz	QPYGDESGPQESRV-RDJZCZTQSA-N	1	0	370.501	1.680	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H](O)c3cccnc3)CC2)c1	ZINC000846611870	951374823	/nfs/dbraw/zinc/37/48/23/951374823.db2.gz	IQNOUVSGOQHADJ-LJQANCHMSA-N	1	0	350.422	1.767	20	30		FDEDRO
Cc1c(Br)c2ccccc2n1CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N	ZINC000846676001	951439924	/nfs/dbraw/zinc/43/99/24/951439924.db2.gz	AQAUUWHWIKRXIL-AAEUAGOBSA-N	1	0	361.243	1.940	20	30		FDEDRO
C=CCOC[C@H](O)C[NH2+][C@@H]1Cc2ccc(I)cc2C1	ZINC001252488360	971748951	/nfs/dbraw/zinc/74/89/51/971748951.db2.gz	LHHMGBRTWPDVQP-HUUCEWRRSA-N	1	0	373.234	1.912	20	30		FDEDRO
CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1	ZINC000846732743	951508197	/nfs/dbraw/zinc/50/81/97/951508197.db2.gz	QQEFKDGPLABPKB-QZTJIDSGSA-N	1	0	372.469	1.041	20	30		FDEDRO
CCOC(=O)c1cc2[nH]c(NC(=[NH2+])c3ccc(C(N)=O)cc3)ccc-2n1	ZINC001171253237	951597916	/nfs/dbraw/zinc/59/79/16/951597916.db2.gz	NCTFSFMCZDXLKI-UHFFFAOYSA-N	1	0	351.366	1.876	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@@H]3CCO[C@H]3CC)c2)C1	ZINC001091404513	951598229	/nfs/dbraw/zinc/59/82/29/951598229.db2.gz	KRCGTCQSYWWGKO-OTWHNJEPSA-N	1	0	357.454	1.599	20	30		FDEDRO
C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C#CC1CC1	ZINC001575079526	951693103	/nfs/dbraw/zinc/69/31/03/951693103.db2.gz	QLNOSIYVGSHQFN-GFCCVEGCSA-N	1	0	356.405	1.356	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CC1	ZINC001196557749	971774043	/nfs/dbraw/zinc/77/40/43/971774043.db2.gz	PTQSIKYHMYWMIL-ZACQAIPSSA-N	1	0	351.491	1.689	20	30		FDEDRO
C#C[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1	ZINC000847027356	951777895	/nfs/dbraw/zinc/77/78/95/951777895.db2.gz	ALYMKXMIAFCGEN-INIZCTEOSA-N	1	0	356.426	1.589	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)/C=C\c4ccco4)C[C@]3(C)C2)C1=O	ZINC001091443054	951805581	/nfs/dbraw/zinc/80/55/81/951805581.db2.gz	YYKBRQGGKFWMBA-CRNLENRWSA-N	1	0	369.465	1.860	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cc(C)no4)C[C@]3(C)C2)C1=O	ZINC001091479307	951861522	/nfs/dbraw/zinc/86/15/22/951861522.db2.gz	RDHRJEYAQSYCIH-CLCXKQKWSA-N	1	0	358.442	1.164	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ccc(C)n4C)C[C@]3(C)C2)C1=O	ZINC001091481409	951863490	/nfs/dbraw/zinc/86/34/90/951863490.db2.gz	QZNBXGYORJHNDX-BLIXFSHQSA-N	1	0	370.497	1.514	20	30		FDEDRO
C[C@H](C[NH2+]Cc1ccc(C#N)cc1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001575101928	951866697	/nfs/dbraw/zinc/86/66/97/951866697.db2.gz	KAJPGJXAEDOAHO-GFCCVEGCSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]Cc1ccc(C#N)s1	ZINC001575103346	951875179	/nfs/dbraw/zinc/87/51/79/951875179.db2.gz	SPEJUDHLTMHTRK-SNVBAGLBSA-N	1	0	370.442	1.284	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ccc(C)nc4)C[C@]3(C)C2)C1=O	ZINC001091487379	951877451	/nfs/dbraw/zinc/87/74/51/951877451.db2.gz	OWQZNBOFVSRDJJ-OPYAIIAOSA-N	1	0	368.481	1.571	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2CN(Cc3nc(-c4ccoc4)no3)C[C@@]2(C)C1	ZINC001091546296	951986845	/nfs/dbraw/zinc/98/68/45/951986845.db2.gz	ZVGHUYJAYHFFHH-WRSAYESZSA-N	1	0	355.398	1.770	20	30		FDEDRO
Cc1c(C(=O)N2C[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@@]3(C)C2)nnn1C	ZINC001091561820	952075008	/nfs/dbraw/zinc/07/50/08/952075008.db2.gz	KIDSIOIXBUUZJB-XLIONFOSSA-N	1	0	364.453	1.589	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ocnc4C)C[C@]3(C)C2)C1=O	ZINC001091573638	952108150	/nfs/dbraw/zinc/10/81/50/952108150.db2.gz	WWUSCOUEHHNNSM-CLCXKQKWSA-N	1	0	358.442	1.164	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC(C)([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC1	ZINC001571084502	952190120	/nfs/dbraw/zinc/19/01/20/952190120.db2.gz	IHLVLBDAUGISMR-LBPRGKRZSA-N	1	0	371.420	1.636	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1	ZINC001146934241	952256012	/nfs/dbraw/zinc/25/60/12/952256012.db2.gz	XIDJBRLHIJMVAH-KGYLQXTDSA-N	1	0	367.371	1.051	20	30		FDEDRO
COc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@]3(C)C2)sn1	ZINC001091607383	952257748	/nfs/dbraw/zinc/25/77/48/952257748.db2.gz	YHERCEPSLMSKAY-XIKOKIGWSA-N	1	0	371.466	1.946	20	30		FDEDRO
N#Cc1cnc(N[C@@H]2CC[C@H](CNC(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)cn1	ZINC001091620627	952335262	/nfs/dbraw/zinc/33/52/62/952335262.db2.gz	AXIVGUQHWQEODW-GMBSWORKSA-N	1	0	368.485	1.919	20	30		FDEDRO
C[C@]12CN(C(=O)CC3OCCCO3)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001091622068	952342705	/nfs/dbraw/zinc/34/27/05/952342705.db2.gz	OQAXWYXPZUPXTR-NQIIRXRSSA-N	1	0	369.465	1.992	20	30		FDEDRO
CC(=O)N1CC(C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@@]3(C)C2)C1	ZINC001091626403	952359005	/nfs/dbraw/zinc/35/90/05/952359005.db2.gz	GEFWQUOLTOFFMD-CTNGQTDRSA-N	1	0	366.465	1.317	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cn(C3CCOCC3)nn2)C1	ZINC001086848357	952391255	/nfs/dbraw/zinc/39/12/55/952391255.db2.gz	MQEBOKIAQHMZRK-UONOGXRCSA-N	1	0	367.881	1.870	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)N(CC)CC)C2	ZINC001147583515	952444358	/nfs/dbraw/zinc/44/43/58/952444358.db2.gz	SMVYUXUPPUBACB-SJORKVTESA-N	1	0	363.502	1.370	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[C@@H](Nc2nccnc2C#N)C1	ZINC001091646118	952478394	/nfs/dbraw/zinc/47/83/94/952478394.db2.gz	BTQRJWDGSRFUBC-XHSDSOJGSA-N	1	0	356.474	1.919	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[C@@H](Nc2cncc(C#N)n2)C1	ZINC001091647957	952491136	/nfs/dbraw/zinc/49/11/36/952491136.db2.gz	KNOIXPUMXJKWHI-UXLLHSPISA-N	1	0	356.474	1.919	20	30		FDEDRO
Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)c1	ZINC000772984732	952499885	/nfs/dbraw/zinc/49/98/85/952499885.db2.gz	OWYPXXUOBOUQKV-JGWKNBOWSA-N	1	0	356.426	1.828	20	30		FDEDRO
C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1C[N@H+](C[C@H]1CCCS(=O)(=O)C1)C2	ZINC001091659931	952520737	/nfs/dbraw/zinc/52/07/37/952520737.db2.gz	VXSVJHJJPOQSQS-LMMKCTJWSA-N	1	0	364.511	1.005	20	30		FDEDRO
CC[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1	ZINC001091656147	952531127	/nfs/dbraw/zinc/53/11/27/952531127.db2.gz	VPEIADJCBBZCQO-KNKQGSTJSA-N	1	0	371.525	1.971	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)C[C@]2(C)C1	ZINC001091668530	952558607	/nfs/dbraw/zinc/55/86/07/952558607.db2.gz	NUDNCKOAVVWAKR-CLCXKQKWSA-N	1	0	357.458	1.119	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3coc(S(C)(=O)=O)c3)C[C@]2(C)C1	ZINC001091687291	952642209	/nfs/dbraw/zinc/64/22/09/952642209.db2.gz	ZPJTUVCDSKTJKD-PBHICJAKSA-N	1	0	352.456	1.653	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(Cn4cccn4)o3)C[C@]2(C)C1	ZINC001091691544	952644793	/nfs/dbraw/zinc/64/47/93/952644793.db2.gz	CUKHZGAWVJTYDP-UZLBHIALSA-N	1	0	352.438	1.942	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](CNc2cnc(C#N)cn2)C1	ZINC001091690789	952663723	/nfs/dbraw/zinc/66/37/23/952663723.db2.gz	NCEYOMPAUVNORR-ZBFHGGJFSA-N	1	0	356.474	1.729	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@]2(C)C1	ZINC001091702315	952669780	/nfs/dbraw/zinc/66/97/80/952669780.db2.gz	WBRFVIXNYLLWLY-GLJUWKHASA-N	1	0	353.894	1.776	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cnn4c3cccc4OC)C[C@]2(C)C1	ZINC001091715050	952710976	/nfs/dbraw/zinc/71/09/76/952710976.db2.gz	SLWQPWSAPRRAIT-QRWLVFNGSA-N	1	0	352.438	1.760	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cccc4c3oc(=O)n4C)C[C@]2(C)C1	ZINC001091737886	952766055	/nfs/dbraw/zinc/76/60/55/952766055.db2.gz	QEXOUQQSQYIUMB-VLIAUNLRSA-N	1	0	353.422	1.549	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnn(C)n2)C1	ZINC001086849631	952855725	/nfs/dbraw/zinc/85/57/25/952855725.db2.gz	SWRFAYXILAFHCB-LSDHHAIUSA-N	1	0	370.457	1.463	20	30		FDEDRO
CN1C(=O)CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001086866546	952898639	/nfs/dbraw/zinc/89/86/39/952898639.db2.gz	RGFCXINXAMCGHY-IPMKNSEASA-N	1	0	368.481	1.944	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cccn(C)c2=O)C1	ZINC001086856385	952902890	/nfs/dbraw/zinc/90/28/90/952902890.db2.gz	XASSWILKPBWJGL-QWHCGFSZSA-N	1	0	368.275	1.782	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cncnc3CC)C2)C1=O	ZINC001086877275	952904484	/nfs/dbraw/zinc/90/44/84/952904484.db2.gz	JYTNFFFARGIVOC-HDMKZQKVSA-N	1	0	371.485	1.314	20	30		FDEDRO
Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1c1cnn(C)c1	ZINC001086971047	952973302	/nfs/dbraw/zinc/97/33/02/952973302.db2.gz	VACICCGMFLCKEI-JEBQAFNWSA-N	1	0	352.442	1.367	20	30		FDEDRO
Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1cnn(C)c1	ZINC001086978414	952990564	/nfs/dbraw/zinc/99/05/64/952990564.db2.gz	VOARDSIMOWBPKK-RBUKOAKNSA-N	1	0	367.453	1.523	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc3ccncc3s2)C[C@H]1c1cnn(C)c1	ZINC001086982448	952995251	/nfs/dbraw/zinc/99/52/51/952995251.db2.gz	KDQCPRUAFDASMS-JKSUJKDBSA-N	1	0	365.462	1.861	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3nc(C)[nH]c3C2)C[C@H]1c1cnn(C)c1	ZINC001086985197	953001682	/nfs/dbraw/zinc/00/16/82/953001682.db2.gz	YBOVABJQYZORHP-URLQWDBASA-N	1	0	368.485	1.327	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nncc3ccccc32)C[C@H]1c1cnn(C)c1	ZINC001086987533	953010032	/nfs/dbraw/zinc/01/00/32/953010032.db2.gz	XKKLQALNOFCFBW-ZWKOTPCHSA-N	1	0	360.421	1.194	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2cncnc2)C[C@H]1c1cnn(C)c1	ZINC001086987964	953011523	/nfs/dbraw/zinc/01/15/23/953011523.db2.gz	XDQIGNMJYDNSBB-ZWKOTPCHSA-N	1	0	354.458	1.303	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c(C)onc2C2CC2)C[C@H]1c1cnn(C)c1	ZINC001086988261	953012126	/nfs/dbraw/zinc/01/21/26/953012126.db2.gz	NDESWVSQNRJSNC-JKSUJKDBSA-N	1	0	355.442	1.978	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC2CCOCC2)C1	ZINC001086990735	953018439	/nfs/dbraw/zinc/01/84/39/953018439.db2.gz	RTRSDLFRHOWMOB-ZWKOTPCHSA-N	1	0	360.502	1.943	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCn2cccn2)C1	ZINC001086990713	953018478	/nfs/dbraw/zinc/01/84/78/953018478.db2.gz	QVZMZXASKMJYFA-DLBZAZTESA-N	1	0	356.474	1.413	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3ccc(F)cc32)C[C@H]1c1cnn(C)c1	ZINC001086993813	953027901	/nfs/dbraw/zinc/02/79/01/953027901.db2.gz	TYLHCBKXSPWLOR-GBESFXJTSA-N	1	0	352.413	1.416	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cnc3[nH]cnc3c2)C[C@H]1c1cnn(C)c1	ZINC001086980481	953029767	/nfs/dbraw/zinc/02/97/67/953029767.db2.gz	DNEGMINLJCHOAS-DOTOQJQBSA-N	1	0	365.441	1.465	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnc3[nH]cnc3c2)C[C@H]1c1cnn(C)c1	ZINC001086980602	953030395	/nfs/dbraw/zinc/03/03/95/953030395.db2.gz	KQXUUDKJYCKEPG-GOEBONIOSA-N	1	0	351.414	1.075	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1O	ZINC001196691492	971890457	/nfs/dbraw/zinc/89/04/57/971890457.db2.gz	FISDZGHLRHARFW-IPMKNSEASA-N	1	0	363.502	1.509	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccc3c2OCCO3)C[C@H]1c1cnn(C)c1	ZINC001086981603	953033372	/nfs/dbraw/zinc/03/33/72/953033372.db2.gz	SEANUXIGYBVMPL-DLBZAZTESA-N	1	0	368.437	1.575	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ncnc3ccsc32)C[C@H]1c1cnn(C)c1	ZINC001086981787	953034165	/nfs/dbraw/zinc/03/41/65/953034165.db2.gz	DAFMHBKDADJWPJ-DZGCQCFKSA-N	1	0	368.466	1.809	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2cc(C3CC3)no2)C[C@H]1c1cnn(C)c1	ZINC001086982050	953034538	/nfs/dbraw/zinc/03/45/38/953034538.db2.gz	QWWFLQOOQFOQAV-PKOBYXMFSA-N	1	0	369.469	1.988	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2ccccc2F)C[C@H]1c1cnn(C)c1	ZINC001086996444	953037856	/nfs/dbraw/zinc/03/78/56/953037856.db2.gz	FFPYKYARCMZFOM-MOXGXCLJSA-N	1	0	368.456	1.955	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3ccncc3C2)C[C@H]1c1cnn(C)c1	ZINC001086997169	953039076	/nfs/dbraw/zinc/03/90/76/953039076.db2.gz	PKUYIRMRLQNWPJ-ZYSHUDEJSA-N	1	0	351.454	1.300	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccc3cccnn32)C[C@H]1c1cnn(C)c1	ZINC001087000518	953051244	/nfs/dbraw/zinc/05/12/44/953051244.db2.gz	ALSWIZHVZKPOTK-ZWKOTPCHSA-N	1	0	364.453	1.842	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2scnc2C(C)C)C[C@H]1c1cnn(C)c1	ZINC001087000731	953051865	/nfs/dbraw/zinc/05/18/65/953051865.db2.gz	MAQXHIZOBQFXEH-LSDHHAIUSA-N	1	0	357.483	1.831	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnc(C3CC3)[nH]c2=O)C[C@H]1c1cnn(C)c1	ZINC001087000788	953052071	/nfs/dbraw/zinc/05/20/71/953052071.db2.gz	NRWSRLUCSNYBAW-JKSUJKDBSA-N	1	0	368.441	1.177	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(C)nc(C)n2)C[C@H]1c1cnn(C)c1	ZINC001087001689	953055813	/nfs/dbraw/zinc/05/58/13/953055813.db2.gz	JHDNPEGCOZOGEQ-FUHWJXTLSA-N	1	0	354.458	1.601	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(CC)nn2C)C[C@H]1c1cnn(C)c1	ZINC001087003110	953058947	/nfs/dbraw/zinc/05/89/47/953058947.db2.gz	FRUIRUNPELUVOT-DLBZAZTESA-N	1	0	356.474	1.490	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn(CCCC)c2C)C[C@H]1c1cnn(C)c1	ZINC001087004943	953063724	/nfs/dbraw/zinc/06/37/24/953063724.db2.gz	FAURLCJMYNOLND-RBUKOAKNSA-N	1	0	368.485	1.556	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(C(C)C)nc2C)C[C@H]1c1cnn(C)c1	ZINC001087005604	953065195	/nfs/dbraw/zinc/06/51/95/953065195.db2.gz	LHPWFOGTRCEPDU-ZWKOTPCHSA-N	1	0	354.458	1.337	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)cc2OC)C[C@H]1c1cnn(C)c1	ZINC001087007002	953091853	/nfs/dbraw/zinc/09/18/53/953091853.db2.gz	GMWIUXMKEBUYKN-ZWKOTPCHSA-N	1	0	370.453	1.821	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)c(OC)c2)C[C@H]1c1cnn(C)c1	ZINC001087008024	953094369	/nfs/dbraw/zinc/09/43/69/953094369.db2.gz	JDOXAZQJHXVXDX-DLBZAZTESA-N	1	0	368.437	1.268	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2c(C)n[nH]c2C)C[C@H]1c1cnn(C)c1	ZINC001087008949	953096815	/nfs/dbraw/zinc/09/68/15/953096815.db2.gz	GUMHSQUMRHDDGM-ZWKOTPCHSA-N	1	0	356.474	1.463	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)COC)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1OC	ZINC001087012923	953108428	/nfs/dbraw/zinc/10/84/28/953108428.db2.gz	WFJSWIUMMUXBRP-SJLPKXTDSA-N	1	0	361.442	1.166	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccon2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087028947	953119124	/nfs/dbraw/zinc/11/91/24/953119124.db2.gz	BPNCWAYDZQAWTA-SJLPKXTDSA-N	1	0	354.410	1.813	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)Cc2ccon2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087035206	953144171	/nfs/dbraw/zinc/14/41/71/953144171.db2.gz	QCINAHXODQCQNK-IEBWSBKVSA-N	1	0	368.437	1.742	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1cc(OC)ns1	ZINC001087035569	953145329	/nfs/dbraw/zinc/14/53/29/953145329.db2.gz	FREGNDRKCGLLEA-YRGRVCCFSA-N	1	0	352.460	1.264	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1cc(CO)ccc1F	ZINC001087035993	953146284	/nfs/dbraw/zinc/14/62/84/953146284.db2.gz	USJLVJOTFIWMQH-FDQGKXFDSA-N	1	0	363.433	1.431	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1conc1CC	ZINC001087039880	953156231	/nfs/dbraw/zinc/15/62/31/953156231.db2.gz	HZJAXMNLJXWIFZ-RDTXWAMCSA-N	1	0	371.441	1.704	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1csc(CC)n1	ZINC001087034466	953172313	/nfs/dbraw/zinc/17/23/13/953172313.db2.gz	GOSFAGAFHCJQJL-UMVBOHGHSA-N	1	0	350.488	1.818	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001087052102	953182544	/nfs/dbraw/zinc/18/25/44/953182544.db2.gz	GGCZCXKMJDMXHK-IUODEOHRSA-N	1	0	359.455	1.610	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+][C@H](C)c1nnc(C)s1	ZINC001087053598	953186057	/nfs/dbraw/zinc/18/60/57/953186057.db2.gz	YDFCCTSCEUGGQX-DAXOMENPSA-N	1	0	362.499	1.774	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1ccc(F)cn1	ZINC001087047233	953195870	/nfs/dbraw/zinc/19/58/70/953195870.db2.gz	ZNDRDIUNOKPUMG-RDTXWAMCSA-N	1	0	371.416	1.687	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H]3CCCNC3=O)[C@H](OCC)C2)cc1	ZINC001087071493	953225894	/nfs/dbraw/zinc/22/58/94/953225894.db2.gz	SLLMENDMPJXWIZ-GUDVDZBRSA-N	1	0	369.465	1.013	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+][C@@H]3CCCN(C)C3=O)[C@H](OCC)C2)C1	ZINC001087082696	953241505	/nfs/dbraw/zinc/24/15/05/953241505.db2.gz	WMLMFUSZIBLDQI-BRWVUGGUSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3cnnn3C)[C@H](OCC)C2)CC1	ZINC001087079478	953264084	/nfs/dbraw/zinc/26/40/84/953264084.db2.gz	RIEOKFDLNUCMIU-SJLPKXTDSA-N	1	0	361.490	1.515	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CC/C=C\c3ccccc3)C[C@H]2O)nn1	ZINC001196757079	971911744	/nfs/dbraw/zinc/91/17/44/971911744.db2.gz	CPLLTGLLRUYABN-QXAZJNSLSA-N	1	0	367.453	1.343	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2[nH]cnc2C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087104597	953277920	/nfs/dbraw/zinc/27/79/20/953277920.db2.gz	OPUYIUKJJCAZNK-QZTJIDSGSA-N	1	0	367.453	1.857	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H]2CC)n1	ZINC001091794213	953318605	/nfs/dbraw/zinc/31/86/05/953318605.db2.gz	FUVMCWNMAVVYKL-ARFHVFGLSA-N	1	0	358.490	1.724	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)Cn3nnc(-c4ccco4)n3)C[C@]2(C)C1	ZINC001091809407	953342468	/nfs/dbraw/zinc/34/24/68/953342468.db2.gz	FLAIBOSAXZSUPS-BEFAXECRSA-N	1	0	370.457	1.680	20	30		FDEDRO
CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)c2cc(-c3cccc(C#N)c3)on2)O1	ZINC001196774270	971925826	/nfs/dbraw/zinc/92/58/26/971925826.db2.gz	GQAXDDYZOBGUKS-ZHALLVOQSA-N	1	0	370.409	1.668	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(Cc3ccccc3F)CC2)C1	ZINC001196781406	971930194	/nfs/dbraw/zinc/93/01/94/971930194.db2.gz	SCJQGIYKAFKKLH-QZTJIDSGSA-N	1	0	362.445	1.512	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3COCCN3CC3CCC3)C[C@]2(C)C1	ZINC001091883506	953518722	/nfs/dbraw/zinc/51/87/22/953518722.db2.gz	MEBLMDYMWXDJLR-SBHAEUEKSA-N	1	0	361.530	1.844	20	30		FDEDRO
C=C(Cl)CN1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@]2(C)C1	ZINC001091867856	953617491	/nfs/dbraw/zinc/61/74/91/953617491.db2.gz	DAWGAYVKUSDMJP-RVJQKTFWSA-N	1	0	365.905	1.382	20	30		FDEDRO
C[N@H+](CC(=O)N1C[C@H]2CCN(c3cnc(C#N)cn3)C[C@H]2C1)CC(C)(C)C	ZINC001091870550	953626639	/nfs/dbraw/zinc/62/66/39/953626639.db2.gz	VEJDCWBNQGCLIY-CVEARBPZSA-N	1	0	370.501	1.611	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+]([C@@H](C)C(=O)NC4CC4)C[C@@]3(C)C2)cc1	ZINC001091905389	953672305	/nfs/dbraw/zinc/67/23/05/953672305.db2.gz	DAAIJDLQFDGQGZ-REDKUUPNSA-N	1	0	365.477	1.729	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@H]3CCNC3=O)C[C@H]1C[N@H+](Cc1ccc(F)c(C#N)c1)C2	ZINC001091911529	953699271	/nfs/dbraw/zinc/69/92/71/953699271.db2.gz	VIIZHHSFPWIUOD-QINHECLXSA-N	1	0	370.428	1.114	20	30		FDEDRO
Cn1c(C(=O)N2C[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@@]3(C)C2)c[nH]c1=O	ZINC001091914614	953702769	/nfs/dbraw/zinc/70/27/69/953702769.db2.gz	FXSFSTSKABLKOZ-UZLBHIALSA-N	1	0	365.437	1.591	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccc(C(N)=O)cc1)C2	ZINC001110125313	953712004	/nfs/dbraw/zinc/71/20/04/953712004.db2.gz	WVGBGFLWSKALNU-NJAFHUGGSA-N	1	0	357.454	1.852	20	30		FDEDRO
CN1CC[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@@]3(C)C2)C1=O	ZINC001091930693	953726029	/nfs/dbraw/zinc/72/60/29/953726029.db2.gz	PSWAZWNKSOQDBL-LQWHRVPQSA-N	1	0	366.465	1.317	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3C[N@H+](CC[C@@H]4CCOC4)C[C@@]3(C)C2)c1	ZINC001091997410	953915526	/nfs/dbraw/zinc/91/55/26/953915526.db2.gz	CASSZAKFDCXQHT-QFUCXCTJSA-N	1	0	353.466	1.883	20	30		FDEDRO
CC[NH+](CC)[C@@H](C(=O)N[C@H]1CCN(c2nccnc2C#N)[C@@H]1C)C(C)C	ZINC001091998576	953920332	/nfs/dbraw/zinc/92/03/32/953920332.db2.gz	VGSAOKQMAIEUFM-HLLBOEOZSA-N	1	0	358.490	1.798	20	30		FDEDRO
CCCCCC[N@H+](C)CC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)[C@@H]1C	ZINC001092000615	953927414	/nfs/dbraw/zinc/92/74/14/953927414.db2.gz	FXPIBDBQWYGYDG-CVEARBPZSA-N	1	0	358.490	1.944	20	30		FDEDRO
Cc1ccc(C#N)c(N2CC[C@H](NC(=O)COC3CC[NH+](C)CC3)[C@H]2C)n1	ZINC001092005183	953941584	/nfs/dbraw/zinc/94/15/84/953941584.db2.gz	XIOIKVTZQGQNAZ-QAPCUYQASA-N	1	0	371.485	1.456	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3ccc(OC)nn3)C[C@@]2(C)C1	ZINC001092029775	954128938	/nfs/dbraw/zinc/12/89/38/954128938.db2.gz	HDGBLUFTXWELLO-PYQAKABTSA-N	1	0	372.469	1.357	20	30		FDEDRO
C[C@@H](COCC(=O)N[C@H]1CCN(c2ccc(C#N)cn2)[C@@H]1C)[NH+]1CCCC1	ZINC001092051288	954139832	/nfs/dbraw/zinc/13/98/32/954139832.db2.gz	SUHSIVFHNBZPMJ-JZXOWHBKSA-N	1	0	371.485	1.538	20	30		FDEDRO
C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCC(C)CC3)C[C@]2(C)C1	ZINC001092075201	954216724	/nfs/dbraw/zinc/21/67/24/954216724.db2.gz	ISQQSTFQBWCNDQ-QAPCUYQASA-N	1	0	353.894	1.778	20	30		FDEDRO
C[C@]12CN(C(=O)C[C@H]3CCC(=O)N3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001092093707	954266699	/nfs/dbraw/zinc/26/66/99/954266699.db2.gz	ZQUDHNSFKKMCAG-OPYAIIAOSA-N	1	0	366.465	1.507	20	30		FDEDRO
C#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1	ZINC000964020043	1013121523	/nfs/dbraw/zinc/12/15/23/1013121523.db2.gz	GSPCGQSJKZGGJN-QQGUTBHFSA-N	1	0	368.481	1.593	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C[C@]2(C)C1	ZINC001092266539	954635233	/nfs/dbraw/zinc/63/52/33/954635233.db2.gz	BRODPRLQDWHGRB-FVJLSDCUSA-N	1	0	357.498	1.581	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4c[nH]cc4C)C[C@]3(C)C2)C1=O	ZINC001092271780	954649536	/nfs/dbraw/zinc/64/95/36/954649536.db2.gz	DAZVADGEIHQTNR-SYNHAJSKSA-N	1	0	356.470	1.504	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(Cc4nnc(C)o4)C[C@@]3(C)C2)CC1	ZINC001092300501	954748712	/nfs/dbraw/zinc/74/87/12/954748712.db2.gz	YGHFXNZWVNOPOR-XLIONFOSSA-N	1	0	371.485	1.004	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCN3CC(F)(F)F)C[C@]2(C)C1	ZINC001092302794	954761129	/nfs/dbraw/zinc/76/11/29/954761129.db2.gz	QJLVTJPCRPQIAK-VYDXJSESSA-N	1	0	357.420	1.817	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N1C[C@H]2CN(c3ccncc3C#N)C[C@@]2(C)C1	ZINC001092293520	954899965	/nfs/dbraw/zinc/89/99/65/954899965.db2.gz	LHEBUHYCCKPYKK-XLIONFOSSA-N	1	0	355.486	1.970	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N1C[C@H]2CN(c3ccc(C#N)nc3)C[C@@]2(C)C1	ZINC001092293493	954900164	/nfs/dbraw/zinc/90/01/64/954900164.db2.gz	KJBCDQGOYGDMGH-UZLBHIALSA-N	1	0	355.486	1.970	20	30		FDEDRO
C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)c1nccn12	ZINC001092383774	954981175	/nfs/dbraw/zinc/98/11/75/954981175.db2.gz	OPMLLPJSWRWBDQ-MWDXBVQZSA-N	1	0	372.469	1.083	20	30		FDEDRO
C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)c1nccn12	ZINC001092400336	955011418	/nfs/dbraw/zinc/01/14/18/955011418.db2.gz	LZXDFLHGSMGYKE-NCOADZHNSA-N	1	0	356.470	1.989	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1	ZINC001092404895	955026471	/nfs/dbraw/zinc/02/64/71/955026471.db2.gz	FIXYLHITLFOHIL-GDBMZVCRSA-N	1	0	356.474	1.269	20	30		FDEDRO
CC(C)[C@H](C(=O)NC[C@@H]1CN(c2nccnc2C#N)C[C@H]1C)[NH+]1CCCC1	ZINC001092373111	955046589	/nfs/dbraw/zinc/04/65/89/955046589.db2.gz	RMDDXWRZCUZAEZ-JFIYKMOQSA-N	1	0	370.501	1.657	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1	ZINC001092423479	955060224	/nfs/dbraw/zinc/06/02/24/955060224.db2.gz	MAWZOQFHAHOSEM-OGWOLHLISA-N	1	0	368.485	1.411	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)c1cnccn1	ZINC001092438960	955100995	/nfs/dbraw/zinc/10/09/95/955100995.db2.gz	ORFVXNFJCAKPOO-CZUORRHYSA-N	1	0	353.401	1.985	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)c1ccc(=O)[nH]n1	ZINC001092438928	955101177	/nfs/dbraw/zinc/10/11/77/955101177.db2.gz	NDIRKMAOHIGGEI-CZUORRHYSA-N	1	0	351.410	1.552	20	30		FDEDRO
Cc1nc(N2C[C@@H](CNC(=O)C[N@H+]3CC[C@H](C)C3)[C@H](C)C2)ccc1C#N	ZINC001092445711	955121338	/nfs/dbraw/zinc/12/13/38/955121338.db2.gz	ZGECLDBAWLVFEW-HDMKZQKVSA-N	1	0	355.486	1.792	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccccc2NC(C)=O)C1	ZINC001197034142	972070618	/nfs/dbraw/zinc/07/06/18/972070618.db2.gz	IAQWPUAEZQHDOY-GDIGMMSISA-N	1	0	359.470	1.704	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C	ZINC001092411604	955139068	/nfs/dbraw/zinc/13/90/68/955139068.db2.gz	KWTIGPVOYWJGRM-IIAWOOMASA-N	1	0	362.453	1.217	20	30		FDEDRO
Cc1nc(N2C[C@@H](CNC(=O)C[N@H+](C)C3CCC3)[C@H](C)C2)ccc1C#N	ZINC001092456285	955168730	/nfs/dbraw/zinc/16/87/30/955168730.db2.gz	AELLXBBNANPYGY-RHSMWYFYSA-N	1	0	355.486	1.935	20	30		FDEDRO
C[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1CNC(=O)C[N@H+](C)C1CCC1	ZINC001092456655	955170045	/nfs/dbraw/zinc/17/00/45/955170045.db2.gz	JIJQQGPEYDKVEQ-UKRRQHHQSA-N	1	0	359.449	1.765	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CCNC(=O)CCC[NH+]1CCCC1	ZINC001092523257	955318899	/nfs/dbraw/zinc/31/88/99/955318899.db2.gz	FDGPNFMZSWFUED-IAGOWNOFSA-N	1	0	370.501	1.803	20	30		FDEDRO
CC(C)N1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)C1=O	ZINC001092546315	955379922	/nfs/dbraw/zinc/37/99/22/955379922.db2.gz	PMFHALZIJWIMRF-CKEIUWERSA-N	1	0	357.458	1.193	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CCNC(=O)[C@@H](C1CC1)[NH+](C)C	ZINC001092549883	955396029	/nfs/dbraw/zinc/39/60/29/955396029.db2.gz	CONOUJBRQTWWTI-DDUZABMNSA-N	1	0	356.474	1.267	20	30		FDEDRO
CCn1cc(CC[N@H+]2C[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)cn1	ZINC001092551012	955401322	/nfs/dbraw/zinc/40/13/22/955401322.db2.gz	CYVRYZRRSGCACW-GDBMZVCRSA-N	1	0	354.458	1.643	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1CCNC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001092551591	955404171	/nfs/dbraw/zinc/40/41/71/955404171.db2.gz	NICYOEAKTQJWMJ-ATZDWAIDSA-N	1	0	367.497	1.874	20	30		FDEDRO
CC(=O)N1CC(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2C)C1	ZINC001092568213	955483151	/nfs/dbraw/zinc/48/31/51/955483151.db2.gz	NZSJTRNOSUBHKR-RDTXWAMCSA-N	1	0	354.454	1.221	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CCNC(=O)C12CC[NH+](CC1)C2	ZINC001092531923	955494254	/nfs/dbraw/zinc/49/42/54/955494254.db2.gz	WFBNHMMSRKKGCC-HUUCEWRRSA-N	1	0	354.458	1.023	20	30		FDEDRO
CCn1nncc1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1C	ZINC001092588459	955561022	/nfs/dbraw/zinc/56/10/22/955561022.db2.gz	GYRCRAVLTHJVGW-CHWSQXEVSA-N	1	0	358.471	1.729	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CCNC(=O)C1(C[NH+](C)C)CC1	ZINC001092574694	955694632	/nfs/dbraw/zinc/69/46/32/955694632.db2.gz	WCNBEJAAKDTYCC-HUUCEWRRSA-N	1	0	356.474	1.269	20	30		FDEDRO
COc1cc(C(=O)NC[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)ncn1	ZINC001092611471	955725717	/nfs/dbraw/zinc/72/57/17/955725717.db2.gz	XJNHOXZZYBWKMI-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@H]1C[C@@H](C)CC(=O)N1	ZINC001092616222	955827200	/nfs/dbraw/zinc/82/72/00/955827200.db2.gz	XMRCBODACQSIQI-OHDICMOHSA-N	1	0	368.481	1.657	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccnc(OC)n2)C[C@H]1C	ZINC001092617399	955831547	/nfs/dbraw/zinc/83/15/47/955831547.db2.gz	OHJZOTVFHTXDPC-AHCXZYCDSA-N	1	0	374.485	1.651	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)c2cn(-c3cccnc3)nn2)[C@H](C)C1	ZINC001092663276	955943105	/nfs/dbraw/zinc/94/31/05/955943105.db2.gz	UNVNIUVQMALURC-HZPDHXFCSA-N	1	0	354.458	1.926	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1CNc1ccc(C#N)nn1	ZINC001092674633	955982526	/nfs/dbraw/zinc/98/25/26/955982526.db2.gz	MIRWPTLPQCNMDL-HUUCEWRRSA-N	1	0	358.490	1.833	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1C	ZINC001092677539	955994463	/nfs/dbraw/zinc/99/44/63/955994463.db2.gz	JDTWUDWROPQZMX-IAGOWNOFSA-N	1	0	355.486	1.948	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@@H]1C[N@H+]([C@H]2CCN(CC=C)C2=O)C[C@H]1C	ZINC001092678214	955998115	/nfs/dbraw/zinc/99/81/15/955998115.db2.gz	ZMEXCRLDWPJSEO-LMMKCTJWSA-N	1	0	370.497	1.759	20	30		FDEDRO
Cc1nc(NC[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)ccc1C#N	ZINC001092653781	956043833	/nfs/dbraw/zinc/04/38/33/956043833.db2.gz	RADHPBDAQJGDEW-RHSMWYFYSA-N	1	0	359.474	1.346	20	30		FDEDRO
CC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1N(c1cnc(C#N)cn1)CC2	ZINC001092706580	956125152	/nfs/dbraw/zinc/12/51/52/956125152.db2.gz	QIKJCJXVOQEUNB-VQIMIIECSA-N	1	0	356.474	1.555	20	30		FDEDRO
C=CCOc1ccccc1C(=O)NC[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1C	ZINC001092740041	956235912	/nfs/dbraw/zinc/23/59/12/956235912.db2.gz	HPJHLKNTXLFVDH-NUJGCVRESA-N	1	0	371.481	1.780	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@]2(C)CN(c3ccc(C#N)nc3)CCO2)CC[N@@H+]1C	ZINC001092779115	956425132	/nfs/dbraw/zinc/42/51/32/956425132.db2.gz	NXQWFWNRUHBVAI-NLWGTHIKSA-N	1	0	371.485	1.395	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)cn1	ZINC001092888041	956613049	/nfs/dbraw/zinc/61/30/49/956613049.db2.gz	NAFPJQHYUKOUGV-QZWWFDLISA-N	1	0	359.449	1.859	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@@H]3CCN(CC=C)C3=O)C[C@H]2C)cc1	ZINC001092876639	956624754	/nfs/dbraw/zinc/62/47/54/956624754.db2.gz	JURBEWMLZLBQBI-NSISKUIASA-N	1	0	365.477	1.753	20	30		FDEDRO
COc1nn(C)cc1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C	ZINC001092882054	956647489	/nfs/dbraw/zinc/64/74/89/956647489.db2.gz	HPASASVRGPVKQL-RHSMWYFYSA-N	1	0	367.453	1.798	20	30		FDEDRO
Cc1nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C3)ccc1C#N	ZINC001092908684	956744601	/nfs/dbraw/zinc/74/46/01/956744601.db2.gz	VTUGJQYGSKHHFL-IKGGRYGDSA-N	1	0	353.470	1.829	20	30		FDEDRO
N#Cc1ccc(-c2ccc(C(=O)NCCN(CC[NH3+])N(O)N=O)o2)cc1	ZINC001197404703	972225191	/nfs/dbraw/zinc/22/51/91/972225191.db2.gz	YPZDXNNRWSHXJI-UHFFFAOYSA-N	1	0	358.358	1.096	20	30		FDEDRO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(Cc2nn[nH]n2)CC1	ZINC001197448856	972234711	/nfs/dbraw/zinc/23/47/11/972234711.db2.gz	FLXCFTMRXRTOEL-XAUUPUKJSA-N	1	0	373.505	1.774	20	30		FDEDRO
N#Cc1nccc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCC[NH+]2CCCC2)C3)n1	ZINC001092989213	957056891	/nfs/dbraw/zinc/05/68/91/957056891.db2.gz	GSFYMJKQRCGIAK-ZACQAIPSSA-N	1	0	368.485	1.840	20	30		FDEDRO
CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1)[NH+](CC)CC	ZINC001093042610	957205389	/nfs/dbraw/zinc/20/53/89/957205389.db2.gz	CPUWXXVNQIOTCN-VQHPVUNQSA-N	1	0	356.474	1.695	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2C)cc1	ZINC001093031622	957241816	/nfs/dbraw/zinc/24/18/16/957241816.db2.gz	FXJIHVKBGGAAFN-IEBWSBKVSA-N	1	0	366.465	1.893	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccnn3C)C[C@H]2C)cc1	ZINC001093031861	957244413	/nfs/dbraw/zinc/24/44/13/957244413.db2.gz	KUWKTHMETUYHCU-SJLPKXTDSA-N	1	0	366.465	1.930	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@H+]([C@H](C)c3ncc(C)o3)C[C@H]2C)nn1	ZINC001093035074	957252466	/nfs/dbraw/zinc/25/24/66/957252466.db2.gz	LPNNSNPWKHRALC-BPLDGKMQSA-N	1	0	358.446	1.819	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)c1cccnn1	ZINC001093075237	957337565	/nfs/dbraw/zinc/33/75/65/957337565.db2.gz	WSZBRXIXBYKYOC-CZUORRHYSA-N	1	0	353.401	1.985	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(C(=O)CC)C2)C1	ZINC001197512713	972271394	/nfs/dbraw/zinc/27/13/94/972271394.db2.gz	XGJPXTBFPWANNT-BRWVUGGUSA-N	1	0	351.491	1.153	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)n1	ZINC001093092280	957541178	/nfs/dbraw/zinc/54/11/78/957541178.db2.gz	LKWDALUVLIQHOP-PXNSSMCTSA-N	1	0	371.485	1.315	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2cnc(C#N)cn2)C1	ZINC001093114225	957552198	/nfs/dbraw/zinc/55/21/98/957552198.db2.gz	QXSDDDFBMZJXSZ-CHWSQXEVSA-N	1	0	370.379	1.491	20	30		FDEDRO
CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(CNc2cncc(C#N)n2)C1	ZINC001093124110	957587448	/nfs/dbraw/zinc/58/74/48/957587448.db2.gz	OXWAFLAARMPZMN-KXBFYZLASA-N	1	0	356.474	1.729	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(CNc2ccncc2C#N)C1	ZINC001093124933	957590724	/nfs/dbraw/zinc/59/07/24/957590724.db2.gz	TZFPJSZUVBXNMZ-PXNSSMCTSA-N	1	0	355.486	1.758	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3cncc(OC)n3)C[C@H]2C)cn1	ZINC001093143178	957640675	/nfs/dbraw/zinc/64/06/75/957640675.db2.gz	SHXYRDGMERUJOT-GDBMZVCRSA-N	1	0	365.437	1.359	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)c3cccc(OC)c3)[C@H](C)C2)C1=O	ZINC001093154600	957656799	/nfs/dbraw/zinc/65/67/99/957656799.db2.gz	GADBFDOLRLVAEM-SUMDDJOVSA-N	1	0	371.481	1.780	20	30		FDEDRO
C#C[C@H](NC(=O)NC[C@@H](C(CC)CC)[NH+]1CCOCC1)[C@H]1CCCO1	ZINC000773167123	957903649	/nfs/dbraw/zinc/90/36/49/957903649.db2.gz	WGPPKUUHSOOCHI-OKZBNKHCSA-N	1	0	351.491	1.603	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3cscn3)C[C@H]2C)C1=O	ZINC001093272245	957940247	/nfs/dbraw/zinc/94/02/47/957940247.db2.gz	PVRLUTMZNUCHJG-KFWWJZLASA-N	1	0	362.499	1.618	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3[nH]cnc3C)C[C@H]2C)C1=O	ZINC001093291680	957987006	/nfs/dbraw/zinc/98/70/06/957987006.db2.gz	NCTGUCFYLVHATC-BMFZPTHFSA-N	1	0	359.474	1.193	20	30		FDEDRO
COC(=O)C1(C#N)CCN(C(=O)c2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CC1	ZINC001197609925	972308610	/nfs/dbraw/zinc/30/86/10/972308610.db2.gz	GJECWQVVJLGZNN-QGZVFWFLSA-N	1	0	371.437	1.172	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC000962016911	1013164572	/nfs/dbraw/zinc/16/45/72/1013164572.db2.gz	MLULEUGLPJZPES-AEXBHSQCSA-N	1	0	354.454	1.224	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C3=COCCO3)[C@H]2C(C)C)C[C@H]1O	ZINC001093428383	958047062	/nfs/dbraw/zinc/04/70/62/958047062.db2.gz	UCRKFAUUDQCIOQ-IIHSZXCVSA-N	1	0	350.459	1.417	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccncc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452382	958049237	/nfs/dbraw/zinc/04/92/37/958049237.db2.gz	HYORNVNFTRALBS-ANTGDGSKSA-N	1	0	355.482	1.857	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)c2cc(C#N)c[nH]2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CC1CC1)C2	ZINC001093438895	958072972	/nfs/dbraw/zinc/07/29/72/958072972.db2.gz	HMZZUCNPFUFAFA-SOAMZJECSA-N	1	0	356.470	1.876	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncccc3O)[C@H]2C(C)C)C[C@H]1O	ZINC001093441474	958077216	/nfs/dbraw/zinc/07/72/16/958077216.db2.gz	ACUMVCCABDBPAZ-BIJSTVTOSA-N	1	0	359.470	1.943	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)C23CCC[NH+]2CCC3)C[C@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001093452434	958090754	/nfs/dbraw/zinc/09/07/54/958090754.db2.gz	IVKFNCLZVUFWFU-MTNOOBJLSA-N	1	0	360.502	1.104	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3ccncn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093445449	958091565	/nfs/dbraw/zinc/09/15/65/958091565.db2.gz	CCXSJQJZPXPRMP-IZBJGVDFSA-N	1	0	356.470	1.009	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncc4nc[nH]c43)[C@H]2C(C)C)C[C@H]1O	ZINC001093446487	958094915	/nfs/dbraw/zinc/09/49/15/958094915.db2.gz	IGXXWQCLLRBUTE-GNUPYSACSA-N	1	0	369.469	1.724	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccn(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093447105	958097647	/nfs/dbraw/zinc/09/76/47/958097647.db2.gz	QUYGEWYALBJMJP-LFGUQSLTSA-N	1	0	360.502	1.505	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)C(N)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001093448798	958111614	/nfs/dbraw/zinc/11/16/14/958111614.db2.gz	COBMAGWDZOKIPA-DEXNDLTESA-N	1	0	351.491	1.040	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnn3C(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093449181	958115081	/nfs/dbraw/zinc/11/50/81/958115081.db2.gz	NKSFGRZPTZAKTQ-UIXUWTQFSA-N	1	0	358.486	1.677	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc4n(n3)CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093450036	958120438	/nfs/dbraw/zinc/12/04/38/958120438.db2.gz	SJWBNXXBTLKFMY-MLYOOKFZSA-N	1	0	356.470	1.042	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncc(F)cc3F)[C@@H]2C(C)C)C[C@H]1O	ZINC001093451078	958130020	/nfs/dbraw/zinc/13/00/20/958130020.db2.gz	QSXJXXBRTRFVMI-FXRXJOCMSA-N	1	0	363.408	1.573	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncc(C)cc3OC)[C@H]2C(C)C)C[C@H]1O	ZINC001093451624	958134577	/nfs/dbraw/zinc/13/45/77/958134577.db2.gz	WESXNLJZRLYFCW-DCTVWTRXSA-N	1	0	371.481	1.612	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cncc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093459423	958180423	/nfs/dbraw/zinc/18/04/23/958180423.db2.gz	SYKJYGSEQCDKES-JYBIWHBTSA-N	1	0	360.502	1.734	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cncc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093459421	958181111	/nfs/dbraw/zinc/18/11/11/958181111.db2.gz	SYKJYGSEQCDKES-IZBJGVDFSA-N	1	0	360.502	1.734	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc4n[nH]cc4c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093460850	958190787	/nfs/dbraw/zinc/19/07/87/958190787.db2.gz	ZETVIGCDHPAGRN-ANTGDGSKSA-N	1	0	366.465	1.776	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ncccc3F)[C@H]2C(C)C)C[C@H]1O	ZINC001093461292	958194125	/nfs/dbraw/zinc/19/41/25/958194125.db2.gz	HKHKHYRBEBQSBO-JYBIWHBTSA-N	1	0	361.461	1.915	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc(=O)n3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093464664	958200462	/nfs/dbraw/zinc/20/04/62/958200462.db2.gz	GDBJIHNJQIXGAQ-ODZKNYGOSA-N	1	0	359.470	1.151	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(CC)nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093464760	958201473	/nfs/dbraw/zinc/20/14/73/958201473.db2.gz	DAGYXRCYPNSAGW-SOAMZJECSA-N	1	0	358.486	1.424	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3conc3C3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093468227	958218612	/nfs/dbraw/zinc/21/86/12/958218612.db2.gz	XZPXNZKGQSZQEL-CIWUYKSXSA-N	1	0	357.454	1.765	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc4nc[nH]c43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093469627	958223040	/nfs/dbraw/zinc/22/30/40/958223040.db2.gz	JCOJRJYRLXNXQZ-ZJSJBZJDSA-N	1	0	366.465	1.776	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cncn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093472031	958236598	/nfs/dbraw/zinc/23/65/98/958236598.db2.gz	HYYMMRFWTFFWQQ-HNBVOPMISA-N	1	0	360.502	1.505	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncnc4[nH]ccc43)[C@H]2C(C)C)C[C@H]1O	ZINC001093453937	958264506	/nfs/dbraw/zinc/26/45/06/958264506.db2.gz	YGESOJOALIBBKQ-UOSKARGWSA-N	1	0	369.469	1.675	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)nn(C)c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093454910	958270711	/nfs/dbraw/zinc/27/07/11/958270711.db2.gz	IHWMWAOIQFBZNB-CIWUYKSXSA-N	1	0	358.486	1.250	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)cncc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093454832	958270994	/nfs/dbraw/zinc/27/09/94/958270994.db2.gz	CFJSHMJYTWSXMW-REHHDOPLSA-N	1	0	355.482	1.911	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(CC)[nH]c(=O)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093456626	958278566	/nfs/dbraw/zinc/27/85/66/958278566.db2.gz	GIMBEIKXCIMERR-ZJSJBZJDSA-N	1	0	371.481	1.563	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCn3cc(C)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093480890	958305181	/nfs/dbraw/zinc/30/51/81/958305181.db2.gz	PWJQQBJUFKJFFI-LFGUQSLTSA-N	1	0	360.502	1.734	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCc2nc(CC)no2)C1	ZINC001197650652	972337446	/nfs/dbraw/zinc/33/74/46/972337446.db2.gz	QBLDGXASAPUGMC-HUUCEWRRSA-N	1	0	366.462	1.056	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)Cc3ccsc3)C[C@H]2C)C1=O	ZINC001093620655	958352779	/nfs/dbraw/zinc/35/27/79/958352779.db2.gz	NAPMCEBZFNNUMC-OIISXLGYSA-N	1	0	361.511	1.762	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3ccnn3C)C[C@H]2C)cc1C#N	ZINC001093666589	958466950	/nfs/dbraw/zinc/46/69/50/958466950.db2.gz	RGGGMFSQUKDGAA-RHSMWYFYSA-N	1	0	367.453	1.798	20	30		FDEDRO
Cc1c(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)cc3F)[C@H](C)C2)nnn1C	ZINC001093688151	958506261	/nfs/dbraw/zinc/50/62/61/958506261.db2.gz	KFXWIJABUNEHIY-MLGOLLRUSA-N	1	0	370.432	1.632	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nn2)[C@H](C)C1	ZINC001093673515	958516707	/nfs/dbraw/zinc/51/67/07/958516707.db2.gz	SCIIPJDMUYLVAF-BZUAXINKSA-N	1	0	352.442	1.611	20	30		FDEDRO
CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)n1C	ZINC001093699554	958565556	/nfs/dbraw/zinc/56/55/56/958565556.db2.gz	DVCDWODPZLCGCP-TZMCWYRMSA-N	1	0	355.446	1.075	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1nccn1C(F)F	ZINC001093699888	958566711	/nfs/dbraw/zinc/56/67/11/958566711.db2.gz	NVTAIOWBWKJUQO-DGCLKSJQSA-N	1	0	362.384	1.976	20	30		FDEDRO
CCc1nnc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)[nH]1	ZINC001093700073	958567823	/nfs/dbraw/zinc/56/78/23/958567823.db2.gz	XECYYVVFDXMAJS-YRGRVCCFSA-N	1	0	355.446	1.626	20	30		FDEDRO
CC(=O)N1CC(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)cc3)[C@H](C)C2)C1	ZINC001093737349	958648557	/nfs/dbraw/zinc/64/85/57/958648557.db2.gz	WWCZCHBEEDAGTR-RDTXWAMCSA-N	1	0	354.454	1.221	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1ccc(C(=O)N(C)C)cc1	ZINC001093762062	958700706	/nfs/dbraw/zinc/70/07/06/958700706.db2.gz	LMGXKLWVEFEFTA-OXQOHEQNSA-N	1	0	367.493	1.986	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O	ZINC001093762090	958700936	/nfs/dbraw/zinc/70/09/36/958700936.db2.gz	OMFVOLFQXDNVIO-BPLDGKMQSA-N	1	0	371.403	1.247	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1ncnn1CC(F)F	ZINC001093762783	958703197	/nfs/dbraw/zinc/70/31/97/958703197.db2.gz	GEWHISDYUAONKX-TZMCWYRMSA-N	1	0	351.401	1.141	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1cc(-c2cnn(C)c2)no1	ZINC001093764058	958704737	/nfs/dbraw/zinc/70/47/37/958704737.db2.gz	MUVYPUUHSOYIBF-GDBMZVCRSA-N	1	0	367.453	1.673	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)NC(=O)NCCC)C2	ZINC001110149456	958764287	/nfs/dbraw/zinc/76/42/87/958764287.db2.gz	IZUYGKPHBQKHSM-PMPSAXMXSA-N	1	0	366.506	1.398	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093804386	958838696	/nfs/dbraw/zinc/83/86/96/958838696.db2.gz	JAFXYDUBGXGSIZ-ZTFGCOKTSA-N	1	0	354.454	1.221	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093843194	958959908	/nfs/dbraw/zinc/95/99/08/958959908.db2.gz	BKKLMRNAROFUBY-CXAGYDPISA-N	1	0	351.410	1.552	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H]3CCN(C)C3=O)[C@H](C)C2)cc1	ZINC001093870083	959054072	/nfs/dbraw/zinc/05/40/72/959054072.db2.gz	KMIYBOFYTYOJFC-SUMDDJOVSA-N	1	0	371.481	1.780	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093927861	959238605	/nfs/dbraw/zinc/23/86/05/959238605.db2.gz	LZQAJYXYNYORML-RHSMWYFYSA-N	1	0	365.437	1.150	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cncn2C)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001093894456	959250915	/nfs/dbraw/zinc/25/09/15/959250915.db2.gz	QUTWMEQVMGZFPS-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)N2CCCC2=O)C1	ZINC001197769853	972426441	/nfs/dbraw/zinc/42/64/41/972426441.db2.gz	NPYVKYZLDYCHFH-BRWVUGGUSA-N	1	0	351.491	1.295	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093985910	959424535	/nfs/dbraw/zinc/42/45/35/959424535.db2.gz	KQTGHQMQPDQYHQ-FQELHTAISA-N	1	0	368.481	1.659	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093999901	959483309	/nfs/dbraw/zinc/48/33/09/959483309.db2.gz	NDWMLMDDGMJWNQ-CZUORRHYSA-N	1	0	351.410	1.139	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3ocnc3CC)C[C@H]2C)C1=O	ZINC001094028788	959551924	/nfs/dbraw/zinc/55/19/24/959551924.db2.gz	HNKMYCXQPPAAIC-FMKPAKJESA-N	1	0	360.458	1.322	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3[nH]c(C)nc3C)C[C@H]2C)C1=O	ZINC001094052495	959633564	/nfs/dbraw/zinc/63/35/64/959633564.db2.gz	LTVBDVZNBIUVFR-WQVCFCJDSA-N	1	0	359.474	1.111	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)nc2)[C@H](C)C1	ZINC001094055018	959643797	/nfs/dbraw/zinc/64/37/97/959643797.db2.gz	CFOUJPDMTDTMOW-DDBAPUKQSA-N	1	0	359.470	1.865	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001094067319	959685432	/nfs/dbraw/zinc/68/54/32/959685432.db2.gz	CYXMXNBAKFWINE-CXAGYDPISA-N	1	0	353.401	1.985	20	30		FDEDRO
COCC#CCN1C[C@@H](O)[C@H](NC(=O)CC(C)(C)C2CCCCC2)C1	ZINC001197805696	972449046	/nfs/dbraw/zinc/44/90/46/972449046.db2.gz	VOIUOMLEGFHWCI-QZTJIDSGSA-N	1	0	350.503	1.794	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(CO)cc3)[C@H](C)C2)nn1	ZINC001094095848	959774398	/nfs/dbraw/zinc/77/43/98/959774398.db2.gz	ZCPHAQGQTJUTFR-CRAIPNDOSA-N	1	0	369.469	1.454	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C[NH2+]Cc2cn(C)nn2)[C@H](C)C1	ZINC001094158890	959929733	/nfs/dbraw/zinc/92/97/33/959929733.db2.gz	NLWOHGBUUZOEQE-HUUCEWRRSA-N	1	0	370.457	1.273	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nc(N(C)C)no3)[C@H](C)C2)cn1	ZINC001094174446	959977348	/nfs/dbraw/zinc/97/73/48/959977348.db2.gz	IPTBTVBRJIOGSN-UKRRQHHQSA-N	1	0	368.441	1.010	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)c3nnc(C)o3)[C@H](C)C2)cn1	ZINC001094176782	959983148	/nfs/dbraw/zinc/98/31/48/959983148.db2.gz	XEBKAGFGTVAGTB-DVOMOZLQSA-N	1	0	353.426	1.813	20	30		FDEDRO
Cc1nc(NCCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)ccc1C#N	ZINC001094179558	959988931	/nfs/dbraw/zinc/98/89/31/959988931.db2.gz	SZJCZTKFVFEJRY-MJGOQNOKSA-N	1	0	371.485	1.537	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001094207893	960005042	/nfs/dbraw/zinc/00/50/42/960005042.db2.gz	NJLXMWKVLJXNTB-CZUORRHYSA-N	1	0	356.405	1.173	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CC)[C@H](C)C1	ZINC001094188348	960070262	/nfs/dbraw/zinc/07/02/62/960070262.db2.gz	PKTXAXLISFLKPP-VQIMIIECSA-N	1	0	365.481	1.706	20	30		FDEDRO
CC(=O)N1CC[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)cc3)[C@H](C)C2)C1	ZINC001094193288	960084406	/nfs/dbraw/zinc/08/44/06/960084406.db2.gz	SXGCAQFGPLWWIS-CDHQVMDDSA-N	1	0	368.481	1.611	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@@H](C)F	ZINC001110155872	960267917	/nfs/dbraw/zinc/26/79/17/960267917.db2.gz	BWGPAEXUYYBFTR-KBXIAJHMSA-N	1	0	354.470	1.720	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@]3(CNC(=O)c4cn[nH]c4)CCC[C@@H]23)C1=O	ZINC001094365389	960321864	/nfs/dbraw/zinc/32/18/64/960321864.db2.gz	BHMLRPJPKKMGKS-GPMSIDNRSA-N	1	0	357.458	1.171	20	30		FDEDRO
C#C[C@H]([NH2+][C@@H](C)C(=O)NCCc1ccc(OC)c(OC)c1)[C@@H]1CCCO1	ZINC000775790831	972499135	/nfs/dbraw/zinc/49/91/35/972499135.db2.gz	JCIZTLHFIRGMDR-XIRDDKMYSA-N	1	0	360.454	1.521	20	30		FDEDRO
Cn1nccc1CC[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH]c(C#N)c3)CCC[C@@H]12	ZINC001094397167	960347002	/nfs/dbraw/zinc/34/70/02/960347002.db2.gz	OMOQNVWSGVCXCE-UYAOXDASSA-N	1	0	366.469	1.837	20	30		FDEDRO
Cn1cnc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2cccc(C#N)c2)CC3)n1	ZINC001094402891	960358681	/nfs/dbraw/zinc/35/86/81/960358681.db2.gz	OCWKUFVBKNVPEE-YLJYHZDGSA-N	1	0	364.453	1.861	20	30		FDEDRO
O=C(NC[C@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2)[C@H]1COC(=O)N1	ZINC001094407291	960386460	/nfs/dbraw/zinc/38/64/60/960386460.db2.gz	HWGHRIKKQZFFKA-DBXWQHBBSA-N	1	0	367.449	1.507	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnn(CCOC)c3C)CCC[C@@H]12	ZINC001094415236	960403598	/nfs/dbraw/zinc/40/35/98/960403598.db2.gz	SJNRZZPQLCQUNI-UYAOXDASSA-N	1	0	358.486	1.836	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC(=O)N(CCOC)C3)CCC[C@@H]12	ZINC001094430361	960437289	/nfs/dbraw/zinc/43/72/89/960437289.db2.gz	MMQABXZKFZRJBT-SQGPQFPESA-N	1	0	363.502	1.418	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ocnc1C)CC2	ZINC001094436276	960440899	/nfs/dbraw/zinc/44/08/99/960440899.db2.gz	HOGOWHLNERQJOU-FBBABVLZSA-N	1	0	370.497	1.941	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccccc3OCC(N)=O)CCC[C@@H]12	ZINC001094463619	960461601	/nfs/dbraw/zinc/46/16/01/960461601.db2.gz	TWWXGWHSGYEOAC-YLJYHZDGSA-N	1	0	357.454	1.711	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN(C(N)=O)C3)CCC[C@@H]12	ZINC001094464550	960464080	/nfs/dbraw/zinc/46/40/80/960464080.db2.gz	LTHBLKJFITWAOB-HDMKZQKVSA-N	1	0	368.909	1.890	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[C@H](OC)CN3C(C)=O)CCC[C@@H]12	ZINC001094477475	960647392	/nfs/dbraw/zinc/64/73/92/960647392.db2.gz	FTSWNULLJCYUKH-JRBPQWBISA-N	1	0	361.486	1.006	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2ocnc2C)CC3)nn1	ZINC001094531052	960739569	/nfs/dbraw/zinc/73/95/69/960739569.db2.gz	DNQCBBPLGPVPKY-IEBWSBKVSA-N	1	0	370.457	1.935	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)CCC[C@@H]12	ZINC001094534069	960747905	/nfs/dbraw/zinc/74/79/05/960747905.db2.gz	XIYBOAQZWMXKQW-SOAMZJECSA-N	1	0	358.486	1.835	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4n[nH]c(=O)n4c3)CCC[C@@H]12	ZINC001094535649	960754649	/nfs/dbraw/zinc/75/46/49/960754649.db2.gz	LQONGZLBSJRUBQ-DNVCBOLYSA-N	1	0	355.442	1.985	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cn([C@@H]4CCOC4)nn3)CCC[C@@H]12	ZINC001094555641	960906671	/nfs/dbraw/zinc/90/66/71/960906671.db2.gz	FURFCGLZNQPUTK-SZVBFZGTSA-N	1	0	357.458	1.237	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(N4CCCC4)nn3)CCC[C@@H]12	ZINC001094555674	960906768	/nfs/dbraw/zinc/90/67/68/960906768.db2.gz	GMBBNADABJGWOV-YLJYHZDGSA-N	1	0	353.470	1.684	20	30		FDEDRO
CCO[C@@H]1C[N@H+](C[C@H](O)CC2(C#N)CC2)C[C@H]1CNC(=O)OC(C)(C)C	ZINC001171752358	961286907	/nfs/dbraw/zinc/28/69/07/961286907.db2.gz	TVHGERWSOUUMBN-BZUAXINKSA-N	1	0	367.490	1.903	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1	ZINC001181997387	961320947	/nfs/dbraw/zinc/32/09/47/961320947.db2.gz	YXQWRNJMZVXZDA-CABCVRRESA-N	1	0	350.463	1.832	20	30		FDEDRO
CC(C)[C@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC[N@@H+]1C	ZINC001171879930	961356934	/nfs/dbraw/zinc/35/69/34/961356934.db2.gz	WXUXBAGVIIKTLK-SJLPKXTDSA-N	1	0	354.454	1.710	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1	ZINC000954064271	1013252799	/nfs/dbraw/zinc/25/27/99/1013252799.db2.gz	IKAWEAKCOPEQTP-KURKYZTESA-N	1	0	363.502	1.511	20	30		FDEDRO
CC(=O)NCc1nnn2c1C[N@H+]([C@H](C)Cc1ccc(C#N)cc1)CCC2	ZINC001172305974	961617226	/nfs/dbraw/zinc/61/72/26/961617226.db2.gz	ASHYLOCJVDPLHY-CQSZACIVSA-N	1	0	352.442	1.623	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2sccc2-n2ccnn2)c1C#N	ZINC001182252907	961657348	/nfs/dbraw/zinc/65/73/48/961657348.db2.gz	MZZXXARGMIPEBP-UHFFFAOYSA-N	1	0	356.415	1.328	20	30		FDEDRO
C[C@H](CCCC#N)[N@H+]1C[C@@H](NC(=O)c2cnccn2)[C@H]2OCCC[C@H]2C1	ZINC001172495114	961686259	/nfs/dbraw/zinc/68/62/59/961686259.db2.gz	MSDHFPVNEQUPMN-ATLSCFEFSA-N	1	0	357.458	1.768	20	30		FDEDRO
COCCN1CC2(CC[NH+]([C@H](C)CCCC#N)CC2)[C@H](COC)C1=O	ZINC001172497991	961687834	/nfs/dbraw/zinc/68/78/34/961687834.db2.gz	HWLVDIRGPASHOX-IAGOWNOFSA-N	1	0	351.491	1.902	20	30		FDEDRO
CCCCCCCC[C@H](CC)[NH2+]CCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC001172505478	961689555	/nfs/dbraw/zinc/68/95/55/961689555.db2.gz	NXGGPLKTCWOWJC-DTXAGUPXSA-N	1	0	361.523	1.949	20	30		FDEDRO
COCCn1cncc1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1	ZINC001172976793	961859775	/nfs/dbraw/zinc/85/97/75/961859775.db2.gz	VDMIKCDUBLPCSB-GJZGRUSLSA-N	1	0	363.462	1.911	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(C(=O)CCc3cccc(C#N)c3)CC[C@@H]2C1	ZINC001182337967	961860598	/nfs/dbraw/zinc/86/05/98/961860598.db2.gz	APMRAKXIQDETPJ-WOJBJXKFSA-N	1	0	371.481	1.687	20	30		FDEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)CCc1cccc(C#N)c1)CC2	ZINC001182334082	961889607	/nfs/dbraw/zinc/88/96/07/961889607.db2.gz	FUOZOFBZVVPGPR-UHFFFAOYSA-N	1	0	368.481	1.694	20	30		FDEDRO
C=CCOC1CCC([N@@H+]2C[C@@H]3COC[C@]3(COCC(=O)N(C)C)C2)CC1	ZINC001173322067	962004771	/nfs/dbraw/zinc/00/47/71/962004771.db2.gz	YCJIQIAWRKFQDM-KMEYYKJISA-N	1	0	366.502	1.553	20	30		FDEDRO
C=CCOC1CCC([NH+]2CCC3(C[C@@H](OCC(=O)NC)CO3)CC2)CC1	ZINC001173324839	962007225	/nfs/dbraw/zinc/00/72/25/962007225.db2.gz	WBFOWTQYYAZTEE-DAWZGUTISA-N	1	0	366.502	1.886	20	30		FDEDRO
N#CCC1CCC([NH2+]Cc2cc(N3CCS(=O)(=O)CC3)ccn2)CC1	ZINC001173334885	962007576	/nfs/dbraw/zinc/00/75/76/962007576.db2.gz	ZPXDSAYPTMTYKM-UHFFFAOYSA-N	1	0	362.499	1.878	20	30		FDEDRO
CN(C)C(=O)C1([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CCC1	ZINC001173428223	962142233	/nfs/dbraw/zinc/14/22/33/962142233.db2.gz	GVQVQZFLPUSLMT-UHFFFAOYSA-N	1	0	354.454	1.763	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH+]3CCC4(C[C@H](O)CO4)CC3)CC2)cc1	ZINC001173430638	962148416	/nfs/dbraw/zinc/14/84/16/962148416.db2.gz	WDNODNFIKHADHG-IBGZPJMESA-N	1	0	369.465	1.779	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CNC(=O)C2CC2)C3)c1	ZINC001110315530	962253845	/nfs/dbraw/zinc/25/38/45/962253845.db2.gz	YVKOEGLZKLGROZ-KURKYZTESA-N	1	0	352.438	1.306	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCOCC(F)(F)F)C1	ZINC001182676364	962387305	/nfs/dbraw/zinc/38/73/05/962387305.db2.gz	JTMIYEAXLVPUSW-MCIONIFRSA-N	1	0	350.381	1.737	20	30		FDEDRO
C#CCC[NH+]1CCN(c2cc(Br)cc(F)c2C(N)=O)CC1	ZINC000774529165	962392479	/nfs/dbraw/zinc/39/24/79/962392479.db2.gz	OVIFHKRDICJKHS-UHFFFAOYSA-N	1	0	354.223	1.832	20	30		FDEDRO
C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@@H]1CCC[C@H](n3ncnn3)C1)C2	ZINC001173729442	962671277	/nfs/dbraw/zinc/67/12/77/962671277.db2.gz	FYXRSAZFCXSIKE-ZACQAIPSSA-N	1	0	354.458	1.652	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCc2cccnc2)C1	ZINC001183043204	962755047	/nfs/dbraw/zinc/75/50/47/962755047.db2.gz	MORBRYHHNWVARX-WIYYLYMNSA-N	1	0	368.481	1.588	20	30		FDEDRO
CC[N@H+](CCCC(=O)N1CCNC[C@@H]1C#N)[C@H](C)Cc1ccc(O)cc1	ZINC001183046985	962759466	/nfs/dbraw/zinc/75/94/66/962759466.db2.gz	ADEWPDVSOZTTMT-AEFFLSMTSA-N	1	0	358.486	1.749	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCCOC(C)C)CCCO1	ZINC001150343158	962801349	/nfs/dbraw/zinc/80/13/49/962801349.db2.gz	QNIAXNIUMWHETE-KURKYZTESA-N	1	0	354.491	1.600	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(CCOC)CC[NH+](CC#CCOC)CC1	ZINC001151318937	962927930	/nfs/dbraw/zinc/92/79/30/962927930.db2.gz	CTUMKFIWMPOPFV-MSOLQXFVSA-N	1	0	364.486	1.215	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+][C@@H]2CCN(C(=O)[C@H]3OCC[C@H]3CC)C2)c1	ZINC001183390909	963005955	/nfs/dbraw/zinc/00/59/55/963005955.db2.gz	NLYXZESBGLXBKO-POAQFYNOSA-N	1	0	369.465	1.612	20	30		FDEDRO
C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1	ZINC001175237897	963104521	/nfs/dbraw/zinc/10/45/21/963104521.db2.gz	TZYIQFFISBVJSM-ZACQAIPSSA-N	1	0	369.506	1.089	20	30		FDEDRO
COC(=O)[C@@]1(C)C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H]1C	ZINC001175300444	963130883	/nfs/dbraw/zinc/13/08/83/963130883.db2.gz	DQMWUMGEJJXPNL-XOBRGWDASA-N	1	0	354.406	1.417	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[C@@H](C)O1	ZINC001175380242	963180542	/nfs/dbraw/zinc/18/05/42/963180542.db2.gz	KUOXIUHFKXXPEQ-BRWVUGGUSA-N	1	0	366.506	1.581	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCO[C@H]1C(=C)C	ZINC001175631299	963243397	/nfs/dbraw/zinc/24/33/97/963243397.db2.gz	YEMULPMQVAGTCE-LNLFQRSKSA-N	1	0	363.502	1.372	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=O)N(C)C1CC1	ZINC001175653850	963246315	/nfs/dbraw/zinc/24/63/15/963246315.db2.gz	JZMDSJODRJSSNX-AYBZRNKSSA-N	1	0	365.518	1.853	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NOC1CC[NH+](C)CC1	ZINC000773547139	963355576	/nfs/dbraw/zinc/35/55/76/963355576.db2.gz	PRPLICULSPSAID-UHFFFAOYSA-N	1	0	356.430	1.292	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1	ZINC001184191944	963472636	/nfs/dbraw/zinc/47/26/36/963472636.db2.gz	QISOMYFNOLFVLQ-MMOPVJDHSA-N	1	0	354.450	1.567	20	30		FDEDRO
C#CCCCNC(=O)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1	ZINC000774840934	963858750	/nfs/dbraw/zinc/85/87/50/963858750.db2.gz	GSWVTKLBIQWZTP-IBGZPJMESA-N	1	0	371.481	1.868	20	30		FDEDRO
C=CCN1CC(O)(CN(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001177530074	963867470	/nfs/dbraw/zinc/86/74/70/963867470.db2.gz	VFVCKCTYOGNLBK-IEBWSBKVSA-N	1	0	357.498	1.588	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1	ZINC001177760170	963962091	/nfs/dbraw/zinc/96/20/91/963962091.db2.gz	ZZLRSUQPKAPRGS-LJQANCHMSA-N	1	0	354.498	1.413	20	30		FDEDRO
O=C(C#Cc1ccccn1)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1	ZINC001177801020	963974915	/nfs/dbraw/zinc/97/49/15/963974915.db2.gz	OAZSTXFADVHXTH-OXJNMPFZSA-N	1	0	366.396	1.521	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1	ZINC001185633519	964017800	/nfs/dbraw/zinc/01/78/00/964017800.db2.gz	PNWXEPPJDUIAII-IXDOHACOSA-N	1	0	353.507	1.783	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccnc1OC(C)C)C2	ZINC001110216343	964086452	/nfs/dbraw/zinc/08/64/52/964086452.db2.gz	KBUMOZZQSRNDIS-NJAFHUGGSA-N	1	0	357.454	1.854	20	30		FDEDRO
CCc1nc(C#N)cc(NC2(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)n1	ZINC001110370903	964133932	/nfs/dbraw/zinc/13/39/32/964133932.db2.gz	RSNPEKFBQIRVCJ-LSDHHAIUSA-N	1	0	356.474	1.702	20	30		FDEDRO
C=CCC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3CCO[C@H]3CC)C2)nn1	ZINC001185975415	964243384	/nfs/dbraw/zinc/24/33/84/964243384.db2.gz	WEANCDKASVCZCO-KURKYZTESA-N	1	0	361.490	1.922	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](n2cc(C[NH2+]CC(C)C)nn2)C1	ZINC001186008009	964251344	/nfs/dbraw/zinc/25/13/44/964251344.db2.gz	MXYIIEPCHHPXAE-KURKYZTESA-N	1	0	361.490	1.778	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@]2(C)CNC(=O)C2)C1	ZINC001186188947	964338376	/nfs/dbraw/zinc/33/83/76/964338376.db2.gz	GIICGWVUAIMXAX-BLIXFSHQSA-N	1	0	371.456	1.507	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)NC[C@@H]1C[N@H+](CCO)CC[C@@H]1c1ccc(F)cc1	ZINC001186189341	964340107	/nfs/dbraw/zinc/34/01/07/964340107.db2.gz	NEGTZSHRRVYTRH-YVWKXTFCSA-N	1	0	364.461	1.667	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC2)CC12CCOCC2	ZINC001186424386	964503209	/nfs/dbraw/zinc/50/32/09/964503209.db2.gz	IMRUAUROJAZMBC-QRVBRYPASA-N	1	0	360.498	1.670	20	30		FDEDRO
COCC#CC[NH2+]C[C@H]1CN(C(=O)[C@]23C[C@H]2CCC3)CC12CCOCC2	ZINC001186424956	964504117	/nfs/dbraw/zinc/50/41/17/964504117.db2.gz	NMAVKFDKWGBZAY-LVCYWYKZSA-N	1	0	360.498	1.671	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC12CCOCC2	ZINC001186512810	964538501	/nfs/dbraw/zinc/53/85/01/964538501.db2.gz	MZOAJGNWCNRWQO-FGTMMUONSA-N	1	0	358.486	1.554	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](C[NH2+]CCF)C2(C1)CCOCC2	ZINC001186522122	964545797	/nfs/dbraw/zinc/54/57/97/964545797.db2.gz	QFSPZCZWGKPERZ-ULQDDVLXSA-N	1	0	354.466	1.782	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCOC)[C@@H]2C1	ZINC001186612411	964583941	/nfs/dbraw/zinc/58/39/41/964583941.db2.gz	KRGIZWJCMWHEEM-IXDOHACOSA-N	1	0	351.491	1.369	20	30		FDEDRO
CC(=O)N1CCC([NH+]2CCC(C(=O)Nc3cc(C#N)ccn3)CC2)CC1	ZINC001179007454	964618960	/nfs/dbraw/zinc/61/89/60/964618960.db2.gz	AYCJWYRDNMUBBM-UHFFFAOYSA-N	1	0	355.442	1.615	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C)[C@@H]1CCCO1	ZINC000773792404	964637368	/nfs/dbraw/zinc/63/73/68/964637368.db2.gz	CZKUNCHLVSDAEE-WBVHZDCISA-N	1	0	373.453	1.171	20	30		FDEDRO
CC(=O)N[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21	ZINC001186750319	964708018	/nfs/dbraw/zinc/70/80/18/964708018.db2.gz	YWLBJYAOYBWSPM-DKSSEZFCSA-N	1	0	370.453	1.146	20	30		FDEDRO
C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)[C@H]1C	ZINC001179191344	964783723	/nfs/dbraw/zinc/78/37/23/964783723.db2.gz	RPCRRJXYMLBGLZ-RDGPPVDQSA-N	1	0	365.518	1.411	20	30		FDEDRO
C=C[C@H]1C[C@]1(NC(=O)c1ccccc1N1CC[NH+](C)CC1)C(=O)OCC	ZINC001186904788	964861867	/nfs/dbraw/zinc/86/18/67/964861867.db2.gz	CRBURIIZFIWDTB-MGPUTAFESA-N	1	0	357.454	1.676	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+]C[C@@H](O)COCC(C)C	ZINC001179638522	964942188	/nfs/dbraw/zinc/94/21/88/964942188.db2.gz	SXHRQRCSFQCMFM-QRVBRYPASA-N	1	0	370.534	1.877	20	30		FDEDRO
COc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]2C)c1	ZINC001179685721	964943790	/nfs/dbraw/zinc/94/37/90/964943790.db2.gz	KOVGZMZZLFTASG-RUGDWHBFSA-N	1	0	370.453	1.017	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCCCC[NH2+]CC(=O)N(C)CC	ZINC001179797345	964993155	/nfs/dbraw/zinc/99/31/55/964993155.db2.gz	XQGUOAYKQFDABP-WMZOPIPTSA-N	1	0	353.507	1.712	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCCCC[NH2+]CCN1CCNC1=O	ZINC001179797296	964993242	/nfs/dbraw/zinc/99/32/42/964993242.db2.gz	VMTGDKKMYDYAEU-IRXDYDNUSA-N	1	0	366.506	1.259	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2cccc(C(=O)NC)c2)C1	ZINC000962327618	1013539806	/nfs/dbraw/zinc/53/98/06/1013539806.db2.gz	AWFCTCLWYQKHRT-AWRGBYNESA-N	1	0	371.481	1.622	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(CC[NH+](C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC001179896036	965020590	/nfs/dbraw/zinc/02/05/90/965020590.db2.gz	NELJJXMNZKUPMJ-LSDHHAIUSA-N	1	0	352.479	1.936	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1CC[C@H]2CN(CC(=O)N(CC)C3CC3)C[C@H]21	ZINC001187225915	965100799	/nfs/dbraw/zinc/10/07/99/965100799.db2.gz	MHIRWVNDPCGQMS-XYJFISCASA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCOCC)[C@@H]2C1	ZINC001187281537	965161805	/nfs/dbraw/zinc/16/18/05/965161805.db2.gz	UREHBPHCMXMDQE-FGTMMUONSA-N	1	0	365.518	1.759	20	30		FDEDRO
COC[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21	ZINC001187296994	965215409	/nfs/dbraw/zinc/21/54/09/965215409.db2.gz	WKRJLDFRPRAYQC-VDZJLULYSA-N	1	0	357.454	1.904	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCc4ccccc4NC3=O)C[C@H]21	ZINC001187320413	965243612	/nfs/dbraw/zinc/24/36/12/965243612.db2.gz	SMVAJMAZBARQQV-QXAKKESOSA-N	1	0	369.465	1.675	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(c4ccccc4)C3=O)C[C@H]21	ZINC001187320357	965243644	/nfs/dbraw/zinc/24/36/44/965243644.db2.gz	QAWCHQDUGXQOBI-YTQUADARSA-N	1	0	369.465	1.527	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CN(CC)CCO2)C1	ZINC000957594394	1013564412	/nfs/dbraw/zinc/56/44/12/1013564412.db2.gz	QEQDRGYYSUSPSF-OAGGEKHMSA-N	1	0	351.491	1.273	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CCOC[C@@H]4CCCO4)C[C@H]32)[nH]1	ZINC001187545945	965485517	/nfs/dbraw/zinc/48/55/17/965485517.db2.gz	AEZQZFLAXVKLFW-QILLFSRXSA-N	1	0	358.442	1.228	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](CC[C@@H]3CCCC3(F)F)C[C@H]21	ZINC001187591888	965511775	/nfs/dbraw/zinc/51/17/75/965511775.db2.gz	XUOFKKABQJGKLB-HRCADAONSA-N	1	0	367.440	1.484	20	30		FDEDRO
C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)CC2)CC1	ZINC000957602856	1013585679	/nfs/dbraw/zinc/58/56/79/1013585679.db2.gz	IWKUFZUIYFQYTI-DLBZAZTESA-N	1	0	363.502	1.513	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CC4(OC)CCC4)[C@@H]3C2)C1=O	ZINC001187749719	965708386	/nfs/dbraw/zinc/70/83/86/965708386.db2.gz	ABAXACQYZNLZSO-GVDBMIGSSA-N	1	0	361.486	1.265	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CC[C@H]2CN(Cc3cnn(C(C)(C)C)c3)C[C@H]21	ZINC001187763954	965730644	/nfs/dbraw/zinc/73/06/44/965730644.db2.gz	WRLWBURILIBAKI-SQGPQFPESA-N	1	0	360.502	1.998	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](CCOCC(F)(F)C(F)F)C[C@H]21	ZINC001187819902	965763448	/nfs/dbraw/zinc/76/34/48/965763448.db2.gz	JVMLAPGRPUBXFM-UONOGXRCSA-N	1	0	362.367	1.850	20	30		FDEDRO
CC(C)C#CC(=O)N1CC[C@H]2C[N@H+](C[C@H](O)Cc3ccc(F)cc3)C[C@H]21	ZINC001187840793	965781548	/nfs/dbraw/zinc/78/15/48/965781548.db2.gz	KWIRJZPYXAQADI-DFQSSKMNSA-N	1	0	358.457	1.921	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](CCOc3ccccc3F)C[C@H]21	ZINC001187865411	965809038	/nfs/dbraw/zinc/80/90/38/965809038.db2.gz	NXGKXCBQSPWZHV-SOLBZPMBSA-N	1	0	360.429	1.776	20	30		FDEDRO
COCCn1nccc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC001187868322	965813835	/nfs/dbraw/zinc/81/38/35/965813835.db2.gz	GJADWLMCSVCNPB-UHFFFAOYSA-N	1	0	367.453	1.818	20	30		FDEDRO
C=CCCOCCCCC(=O)N1CC[C@H]2C[N@@H+]([C@H](CC)C(N)=O)C[C@H]21	ZINC001187904467	965848688	/nfs/dbraw/zinc/84/86/88/965848688.db2.gz	SQBWCTJVZAVPLB-GVDBMIGSSA-N	1	0	351.491	1.546	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C(=O)NC)cc3)C[C@H]21	ZINC001187882964	965884896	/nfs/dbraw/zinc/88/48/96/965884896.db2.gz	YSSOGGGKXRYSDG-AYOQOUSVSA-N	1	0	369.465	1.117	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)CC3(CS(C)(=O)=O)CC3)[C@@H]2C1	ZINC001187919753	965904863	/nfs/dbraw/zinc/90/48/63/965904863.db2.gz	WAUIVZIBAKANPD-JKSUJKDBSA-N	1	0	354.516	1.700	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Oc3cccc(F)c3)[C@@H]2C1	ZINC001187985015	965942773	/nfs/dbraw/zinc/94/27/73/965942773.db2.gz	YPMXPSWGLJEMKS-JTDSTZFVSA-N	1	0	360.429	1.776	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cnn4c3cccc4OC)[C@@H]2C1	ZINC001188075387	965995652	/nfs/dbraw/zinc/99/56/52/965995652.db2.gz	XRSJUOXWUDTORE-MAUKXSAKSA-N	1	0	370.453	1.692	20	30		FDEDRO
COCC#CCN1C[C@@H]2CCN(C(=O)c3cccc4c3OCCO4)[C@@H]2C1	ZINC001188124613	966042106	/nfs/dbraw/zinc/04/21/06/966042106.db2.gz	IMPAMRPUYPSSBY-DOTOQJQBSA-N	1	0	356.422	1.254	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CNS(=O)(=O)CC)[C@@H]2C1	ZINC001188125150	966043107	/nfs/dbraw/zinc/04/31/07/966043107.db2.gz	OHZUDUPMIUMNPI-JKSUJKDBSA-N	1	0	357.520	1.205	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cn4c(n3)CC[C@@H](C)C4)[C@@H]2C1	ZINC001188330325	966209856	/nfs/dbraw/zinc/20/98/56/966209856.db2.gz	YUPLRYITFJZWCQ-SOLBZPMBSA-N	1	0	358.486	1.814	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(c3)N(C)C(=O)C4)[C@@H]2C1	ZINC001188464000	966335305	/nfs/dbraw/zinc/33/53/05/966335305.db2.gz	GCGAPJXTHJURMO-PKOBYXMFSA-N	1	0	369.465	1.554	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(CNC(C)=O)cc3)[C@@H]2C1	ZINC001188470152	966340471	/nfs/dbraw/zinc/34/04/71/966340471.db2.gz	IRYHIJLSUQXWAM-VQTJNVASSA-N	1	0	369.465	1.119	20	30		FDEDRO
C[N@H+](CCNC(=O)OC(C)(C)C)CCNC(=O)c1cccc(CC#N)c1	ZINC001188688819	966496741	/nfs/dbraw/zinc/49/67/41/966496741.db2.gz	ZOJAAZYRSDETEI-UHFFFAOYSA-N	1	0	360.458	1.939	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)cc1	ZINC001188728712	966539490	/nfs/dbraw/zinc/53/94/90/966539490.db2.gz	KCYZHJDCILFGHT-UHFFFAOYSA-N	1	0	366.421	1.146	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc2c(c1)CCC(=O)N2C	ZINC001110401902	966559484	/nfs/dbraw/zinc/55/94/84/966559484.db2.gz	QQHHLSFZFGFCDV-QUIPCFFLSA-N	1	0	366.465	1.977	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@H+](CCOCCNC(C)=O)C[C@H]21	ZINC001188884357	966614637	/nfs/dbraw/zinc/61/46/37/966614637.db2.gz	HDBXTRACYUXIKC-RYQLBKOJSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@H+](CCOCCNC(C)=O)C[C@H]21	ZINC001188908360	966649033	/nfs/dbraw/zinc/64/90/33/966649033.db2.gz	ASOYYGMGAGSSID-FGTMMUONSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@H+](CCCNS(=O)(=O)CC)C[C@H]21	ZINC001188909569	966650368	/nfs/dbraw/zinc/65/03/68/966650368.db2.gz	VTOIPADXKSRTEW-IXDOHACOSA-N	1	0	371.547	1.451	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H]2C1	ZINC001189253813	966858167	/nfs/dbraw/zinc/85/81/67/966858167.db2.gz	VMAAZAJVEQQRAE-SOUVJXGZSA-N	1	0	350.463	1.088	20	30		FDEDRO
C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1	ZINC001189312556	966905352	/nfs/dbraw/zinc/90/53/52/966905352.db2.gz	VKSJLRNQODQWMO-FGTMMUONSA-N	1	0	362.518	1.086	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccccc3COC)[C@@H]2C1	ZINC001189391035	966935251	/nfs/dbraw/zinc/93/52/51/966935251.db2.gz	OGKBXTPQHRTHAD-AZUAARDMSA-N	1	0	356.466	1.558	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCN(C)c3ccccc3)[C@@H]2C1	ZINC001189462623	967005584	/nfs/dbraw/zinc/00/55/84/967005584.db2.gz	NXYBSJXHBGRFFW-AZUAARDMSA-N	1	0	355.482	1.695	20	30		FDEDRO
Cc1cc(C[N@H+](CCNC(=O)OC(C)(C)C)C[C@H](O)CO)ccc1C#N	ZINC000852180708	967061681	/nfs/dbraw/zinc/06/16/81/967061681.db2.gz	WYUXXODKUVHFLN-KRWDZBQOSA-N	1	0	363.458	1.547	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(-n4ccnc4)c3)[C@@H]2C1	ZINC001189635393	967096674	/nfs/dbraw/zinc/09/66/74/967096674.db2.gz	SFTOLIAZZUBAQP-AZUAARDMSA-N	1	0	364.449	1.668	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1C[C@@H]2CCN(C(=O)CC[N@H+](C)CC)[C@@H]2C1	ZINC001189660522	967170761	/nfs/dbraw/zinc/17/07/61/967170761.db2.gz	UJNHPWPAVAHGPR-ZWKOTPCHSA-N	1	0	364.534	1.286	20	30		FDEDRO
C#C[C@@H](NC(=O)NCc1ccncc1OCCC[NH+](C)C)C1CCOCC1	ZINC000852344868	967239095	/nfs/dbraw/zinc/23/90/95/967239095.db2.gz	SXLVZIIUVVTXRT-GOSISDBHSA-N	1	0	374.485	1.640	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3Cc4c(cccc4C)O3)[C@@H]2C1	ZINC001189794000	967271509	/nfs/dbraw/zinc/27/15/09/967271509.db2.gz	MLNYUMULWBEADW-HQRMLTQVSA-N	1	0	354.450	1.481	20	30		FDEDRO
C#CCC[NH+]1CCN(C[C@H](O)COc2ccc(Br)cc2)CC1	ZINC000776594500	967295510	/nfs/dbraw/zinc/29/55/10/967295510.db2.gz	JYBLEWNSCOMEGI-INIZCTEOSA-N	1	0	367.287	1.830	20	30		FDEDRO
C[NH+](C)CCOCC(=O)N1CC[C@H]2CN(Cc3ccccc3C#N)C[C@H]21	ZINC001189802096	967304837	/nfs/dbraw/zinc/30/48/37/967304837.db2.gz	RZTVHHYYFYBZKO-RBUKOAKNSA-N	1	0	356.470	1.169	20	30		FDEDRO
C#C[C@H](NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCCO1	ZINC000775327686	967308347	/nfs/dbraw/zinc/30/83/47/967308347.db2.gz	JCQGFUSKKRXTCS-VQTJNVASSA-N	1	0	355.482	1.886	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3OCCc4ccccc43)[C@@H]2C1	ZINC001189865311	967315467	/nfs/dbraw/zinc/31/54/67/967315467.db2.gz	LSPDUCGAZNXUHR-CEWLAPEOSA-N	1	0	368.477	1.873	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]32)cn1	ZINC001189851363	967351836	/nfs/dbraw/zinc/35/18/36/967351836.db2.gz	IHOHVVBSCVPCFY-DFQSSKMNSA-N	1	0	371.481	1.243	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3ncncc3C1)C2	ZINC001110650843	967415456	/nfs/dbraw/zinc/41/54/56/967415456.db2.gz	AIXZTZMOAQZHSA-WLWJZTKJSA-N	1	0	356.470	1.506	20	30		FDEDRO
N#Cc1cccc(C2([NH2+][C@@H]3CCN(C4CCOCC4)C3=O)CCOCC2)c1	ZINC000852562801	967428332	/nfs/dbraw/zinc/42/83/32/967428332.db2.gz	FKBJXULYWBDYBR-LJQANCHMSA-N	1	0	369.465	1.933	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](O)COCC(C)C)CCC1	ZINC001110652660	967465159	/nfs/dbraw/zinc/46/51/59/967465159.db2.gz	OIAQQHXDLJHLBT-HCXYKTFWSA-N	1	0	362.514	1.935	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(C(=O)NC)n3)[C@@H]2C1	ZINC001189979347	967474569	/nfs/dbraw/zinc/47/45/69/967474569.db2.gz	QIWJUEBFGAALHA-RVKKMQEKSA-N	1	0	356.470	1.942	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Oc3ccc(C)cc3)[C@@H]2C1	ZINC001190059506	967522989	/nfs/dbraw/zinc/52/29/89/967522989.db2.gz	VIGQFJKVEWCYMD-WSTZPKSXSA-N	1	0	356.466	1.945	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCOc3ccccc3)[C@@H]2C1	ZINC001190157970	967611644	/nfs/dbraw/zinc/61/16/44/967611644.db2.gz	UNVIGTGKHQLMNY-JENIJYKNSA-N	1	0	371.481	1.679	20	30		FDEDRO
CC[C@H]([NH2+]C)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1	ZINC000852817400	967629758	/nfs/dbraw/zinc/62/97/58/967629758.db2.gz	BTKYBMFVYZURCR-PTJLRZKYSA-N	1	0	352.460	1.436	20	30		FDEDRO
CN(Cc1ccccc1)C(=O)N1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1	ZINC000852817722	967630870	/nfs/dbraw/zinc/63/08/70/967630870.db2.gz	IVGSZNLTNXTZFW-UHFFFAOYSA-N	1	0	368.481	1.386	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)COc3ccc(C(N)=O)cc3)[C@@H]2C1	ZINC001190227940	967643216	/nfs/dbraw/zinc/64/32/16/967643216.db2.gz	VYEUYQQSVQZVNH-FUHWJXTLSA-N	1	0	357.454	1.663	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1	ZINC000852851528	967657203	/nfs/dbraw/zinc/65/72/03/967657203.db2.gz	FZOUGLQTSBUPJK-QRVBRYPASA-N	1	0	351.450	1.263	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NCc1cccc(NC(=O)c2ccncc2)c1	ZINC000852861924	967667402	/nfs/dbraw/zinc/66/74/02/967667402.db2.gz	MYGOOWYEJYMKRJ-UHFFFAOYSA-N	1	0	362.433	1.953	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NCc1ccc(C(=O)Nc2cccnc2)cc1	ZINC000852870344	967676918	/nfs/dbraw/zinc/67/69/18/967676918.db2.gz	SUNZRWUMUYEUHR-UHFFFAOYSA-N	1	0	362.433	1.953	20	30		FDEDRO
CN1CCN([C@@H](CNC(=O)C#CC2CC[NH2+]CC2)c2cccs2)CC1	ZINC000852872157	967678838	/nfs/dbraw/zinc/67/88/38/967678838.db2.gz	ISRQFUYPJPMUFG-KRWDZBQOSA-N	1	0	360.527	1.156	20	30		FDEDRO
COCCOc1ccccc1N1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1	ZINC000852885617	967688226	/nfs/dbraw/zinc/68/82/26/967688226.db2.gz	BKFIVCQNVGNJRY-UHFFFAOYSA-N	1	0	371.481	1.363	20	30		FDEDRO
Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)C#CC1CC[NH2+]CC1	ZINC000852888449	967691323	/nfs/dbraw/zinc/69/13/23/967691323.db2.gz	WWOBRRUSWPMOMI-SFHVURJKSA-N	1	0	355.438	1.546	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NCC2([NH3+])CCCC2)ccc1F	ZINC000852906245	967698088	/nfs/dbraw/zinc/69/80/88/967698088.db2.gz	VGKRIJFBMNESMQ-UHFFFAOYSA-N	1	0	355.435	1.291	20	30		FDEDRO
C[NH2+]C[C@@H](C)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21	ZINC000852919786	967710090	/nfs/dbraw/zinc/71/00/90/967710090.db2.gz	CAKCPZQRMNDURD-CYBMUJFWSA-N	1	0	366.487	1.010	20	30		FDEDRO
CN1CCC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CC#Cc4ccccc4)[C@@H]3C2)C1=O	ZINC001190311407	967724739	/nfs/dbraw/zinc/72/47/39/967724739.db2.gz	CBPUZUPVVZZPSK-XUVXKRRUSA-N	1	0	365.477	1.582	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4[nH]c(=O)oc4c3)[C@@H]2C1	ZINC001190351066	967773928	/nfs/dbraw/zinc/77/39/28/967773928.db2.gz	PNVJCXGBIBNFKL-GOEBONIOSA-N	1	0	357.410	1.882	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2CC[C@H]3CN(CC(=O)NCC)C[C@H]32)cc1	ZINC001190377617	967811062	/nfs/dbraw/zinc/81/10/62/967811062.db2.gz	FLTXOCQLBLPPFB-PKOBYXMFSA-N	1	0	371.481	1.463	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]21	ZINC001190439606	967849647	/nfs/dbraw/zinc/84/96/47/967849647.db2.gz	BCNCCWKXVMBKQW-OKZBNKHCSA-N	1	0	354.491	1.145	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccnc(-n4cncn4)c3)[C@@H]2C1	ZINC001190474290	967901888	/nfs/dbraw/zinc/90/18/88/967901888.db2.gz	UZVGZQWEXYMBSZ-DLBZAZTESA-N	1	0	352.442	1.775	20	30		FDEDRO
COCCC[NH+]1CCC(NS(=O)(=O)c2cc(C#N)ccc2F)CC1	ZINC001190664132	967985979	/nfs/dbraw/zinc/98/59/79/967985979.db2.gz	CKPFMNTXNJBFLI-UHFFFAOYSA-N	1	0	355.435	1.477	20	30		FDEDRO
N#Cc1ccc(F)c(S(=O)(=O)N2CCO[C@H](C[NH+]3CCCC3)C2)c1	ZINC001190642434	967999686	/nfs/dbraw/zinc/99/96/86/967999686.db2.gz	GZMGLIDMYNPRBJ-CQSZACIVSA-N	1	0	353.419	1.183	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]([N@H+](C)CC#Cc3ccccc3)C2)O1	ZINC001190901057	968133228	/nfs/dbraw/zinc/13/32/28/968133228.db2.gz	UAGQTOJSUZVNAW-YZGWKJHDSA-N	1	0	355.482	1.290	20	30		FDEDRO
C=CC[NH+](CC=C)CCN1CCN(S(=O)(=O)c2ccncc2)CC1	ZINC001190884356	968158584	/nfs/dbraw/zinc/15/85/84/968158584.db2.gz	GHFPPWIDTOGCLP-UHFFFAOYSA-N	1	0	350.488	1.062	20	30		FDEDRO
N#CCSCC(=O)N[C@@H]1C[N@@H+](CCCc2cccc(F)c2)C[C@H]1O	ZINC001191161490	968305033	/nfs/dbraw/zinc/30/50/33/968305033.db2.gz	DKAIBWOHGXIFKR-HZPDHXFCSA-N	1	0	351.447	1.176	20	30		FDEDRO
C#CCCN(CCOC)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	ZINC000853832932	968357468	/nfs/dbraw/zinc/35/74/68/968357468.db2.gz	KJUQMJCEYCOTCM-UHFFFAOYSA-N	1	0	365.518	1.950	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1	ZINC000853995145	968510460	/nfs/dbraw/zinc/51/04/60/968510460.db2.gz	IUBWWNGDFQPNTD-KRWDZBQOSA-N	1	0	369.465	1.875	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncc(C)cc1OC)C2	ZINC001110676636	968558497	/nfs/dbraw/zinc/55/84/97/968558497.db2.gz	KBQJJLUMQYKVFC-FPCVCCKLSA-N	1	0	372.469	1.424	20	30		FDEDRO
C=CCN1CC[C@H]([NH+]2CCC(c3nccc(-c4cnn(C)c4)n3)CC2)C1=O	ZINC000854103849	968598017	/nfs/dbraw/zinc/59/80/17/968598017.db2.gz	LVNPECGIONZCBF-SFHVURJKSA-N	1	0	366.469	1.843	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@H+](CC[C@H](C)OCc2ccccc2)C[C@H]1O	ZINC001191771084	968738293	/nfs/dbraw/zinc/73/82/93/968738293.db2.gz	KOUGGFJZPYKFFV-QXAKKESOSA-N	1	0	362.470	1.346	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H](CNc2ccnc(C#N)n2)C2CCCC2)CC[N@@H+]1C	ZINC001110683795	968835161	/nfs/dbraw/zinc/83/51/61/968835161.db2.gz	MXBHBJROUISOMS-YESZJQIVSA-N	1	0	370.501	1.587	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCc2ccc(Cl)cc2)C[C@H]1O	ZINC001192529904	969174711	/nfs/dbraw/zinc/17/47/11/969174711.db2.gz	IKUDRHWOAVHALB-NUJGCVRESA-N	1	0	352.862	1.371	20	30		FDEDRO
Cc1ccc(N(C(=O)c2ccc(C#N)o2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1	ZINC001192675614	969226093	/nfs/dbraw/zinc/22/60/93/969226093.db2.gz	MMOGSYIVGIDPJO-LIRRHRJNSA-N	1	0	367.409	1.808	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)/C=C(\C)CC)C1	ZINC001192722082	969266466	/nfs/dbraw/zinc/26/64/66/969266466.db2.gz	IADJHJQDOHTOLM-GTEYJNKRSA-N	1	0	351.491	1.317	20	30		FDEDRO
CC(C)COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C#N)[nH]1)C2	ZINC001110449999	969281409	/nfs/dbraw/zinc/28/14/09/969281409.db2.gz	MPDFDTNLKWATFD-ATLSCFEFSA-N	1	0	360.458	1.255	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(OC(C)C)cn2)C1	ZINC001192968561	969408642	/nfs/dbraw/zinc/40/86/42/969408642.db2.gz	BAHJICXOTNVBFL-IAGOWNOFSA-N	1	0	362.474	1.785	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)N1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1	ZINC001193122029	969487790	/nfs/dbraw/zinc/48/77/90/969487790.db2.gz	LZPWJKXXIJABRM-CQSZACIVSA-N	1	0	351.476	1.092	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[N@H+](CCOCc2ccc(OC)cc2)C[C@H]1O	ZINC001193369855	969663061	/nfs/dbraw/zinc/66/30/61/969663061.db2.gz	HFABBUSMJMFTKX-RTBURBONSA-N	1	0	362.470	1.729	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1CN(Cc2cc(C)ns2)C[C@H]1O)OCC	ZINC001193422351	969697404	/nfs/dbraw/zinc/69/74/04/969697404.db2.gz	PNACSTIQQZNDBG-BZUAXINKSA-N	1	0	353.488	1.484	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1	ZINC001193456209	969718899	/nfs/dbraw/zinc/71/88/99/969718899.db2.gz	NTUBTDPUAMSIOM-RCCFBDPRSA-N	1	0	367.534	1.623	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCCc2cccc(F)c2)C1	ZINC001193569288	969741361	/nfs/dbraw/zinc/74/13/61/969741361.db2.gz	QYCPTILXVTWJQX-QZTJIDSGSA-N	1	0	350.434	1.512	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c(C)nc(=O)[nH]c2C)C1	ZINC001193766007	969863440	/nfs/dbraw/zinc/86/34/40/969863440.db2.gz	NOVCMTVIWZOSQE-CSMYWGQOSA-N	1	0	362.474	1.248	20	30		FDEDRO
CCCCCCCCOCC(=O)N[C@@H]1C[N@H+](C[C@H](CC)OC)C[C@H]1O	ZINC001193829160	969886629	/nfs/dbraw/zinc/88/66/29/969886629.db2.gz	XSJLRSNZBXOLCS-RCCFBDPRSA-N	1	0	358.523	1.950	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1	ZINC001193875251	969902488	/nfs/dbraw/zinc/90/24/88/969902488.db2.gz	KVFPHSZOGALXNC-NCXUSEDFSA-N	1	0	350.503	1.957	20	30		FDEDRO
C[NH+]1CCN(c2cncc(C(=O)N(CCC#N)Cc3cccnc3)c2)CC1	ZINC001193939241	969908843	/nfs/dbraw/zinc/90/88/43/969908843.db2.gz	DBNOPMOYNIHZFO-UHFFFAOYSA-N	1	0	364.453	1.784	20	30		FDEDRO
COc1cccc(NC(=O)c2cncc(N3CC[NH+](C)CC3)c2)c1C#N	ZINC001193944225	969949852	/nfs/dbraw/zinc/94/98/52/969949852.db2.gz	AHLCLMSPHOJURK-UHFFFAOYSA-N	1	0	351.410	1.966	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[N@@H+](CC)[C@H]2CCNC2=O)CC1	ZINC000957762975	1013926971	/nfs/dbraw/zinc/92/69/71/1013926971.db2.gz	YINXEBFLYQULED-BZSNNMDCSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C3CC3)[nH]c2C2CC2)C1	ZINC001194063577	969983037	/nfs/dbraw/zinc/98/30/37/969983037.db2.gz	QGXPSPQADCQSFW-QZTJIDSGSA-N	1	0	359.470	1.747	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2COC)C1	ZINC001194203123	970048145	/nfs/dbraw/zinc/04/81/45/970048145.db2.gz	WWNNEJDNJLYRPB-NVXWUHKLSA-N	1	0	352.479	1.312	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@]3(C)C=CCC3)C[C@H]2C)CC1	ZINC000957828610	1013972713	/nfs/dbraw/zinc/97/27/13/1013972713.db2.gz	MPTGXILCERYKEA-BLIXFSHQSA-N	1	0	357.498	1.651	20	30		FDEDRO
O=C(NCC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1N=CC=CC1=O	ZINC000113360701	970408871	/nfs/dbraw/zinc/40/88/71/970408871.db2.gz	BGFVNMXOKHOCPF-HNENSFHCSA-N	1	0	374.416	1.278	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1CC	ZINC001110462146	970431252	/nfs/dbraw/zinc/43/12/52/970431252.db2.gz	ZGIUKLNBZNAJRO-QRVBRYPASA-N	1	0	353.466	1.610	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C)ccc1C	ZINC001110462137	970431726	/nfs/dbraw/zinc/43/17/26/970431726.db2.gz	YZBGTWMMCMKKSK-QRVBRYPASA-N	1	0	353.466	1.664	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](OC)c2cnn(C)c2)C1	ZINC001195029541	970621139	/nfs/dbraw/zinc/62/11/39/970621139.db2.gz	DKRUTLWOZOACJN-ZACQAIPSSA-N	1	0	350.463	1.015	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](OC)c2cnn(C)c2)C1	ZINC001195031247	970623943	/nfs/dbraw/zinc/62/39/43/970623943.db2.gz	ZHJMJBNUJRDRJV-BRWVUGGUSA-N	1	0	352.479	1.239	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](OC)c1ccccc1	ZINC001110465565	970661450	/nfs/dbraw/zinc/66/14/50/970661450.db2.gz	JEDRNBLMAGAVGB-YRXWBPOGSA-N	1	0	369.465	1.235	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](CC)c1ccccc1	ZINC001110465787	970667595	/nfs/dbraw/zinc/66/75/95/970667595.db2.gz	SWDVLDMTIISJIS-MKXGPGLRSA-N	1	0	353.466	1.999	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2-n2cccc2)C1	ZINC001195172320	970748911	/nfs/dbraw/zinc/74/89/11/970748911.db2.gz	MEMANYGWRDPAER-QZTJIDSGSA-N	1	0	371.485	1.732	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC/C=C/c3ccccc3)C[C@H]2O)cn1	ZINC001197926474	972553435	/nfs/dbraw/zinc/55/34/35/972553435.db2.gz	NCDWEKYCVXPGQH-KGHJMRRFSA-N	1	0	361.445	1.941	20	30		FDEDRO
C#C[C@H]([NH2+][C@H](C)C(=O)N(C)Cc1ccc(OC)c(OC)c1)[C@@H]1CCCO1	ZINC000775796876	972557406	/nfs/dbraw/zinc/55/74/06/972557406.db2.gz	AQHPWQRTWYDZCG-PVAVHDDUSA-N	1	0	360.454	1.821	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2OCCc3ccsc32)C1	ZINC001197934886	972560455	/nfs/dbraw/zinc/56/04/55/972560455.db2.gz	JSNCCZANFUHYQL-BZUAXINKSA-N	1	0	350.484	1.880	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H](COC)NC(=O)OC(C)(C)C)CC1	ZINC000796197972	1014042429	/nfs/dbraw/zinc/04/24/29/1014042429.db2.gz	GAPYYEJTRYZPLB-HNNXBMFYSA-N	1	0	355.479	1.683	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc2c(c1)nnn2C	ZINC001110500721	972697071	/nfs/dbraw/zinc/69/70/71/972697071.db2.gz	KEUFCWZQOHRWCS-OHRYMORCSA-N	1	0	369.469	1.517	20	30		FDEDRO
COc1ncc(/C=C\C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cn1	ZINC000775825101	972851735	/nfs/dbraw/zinc/85/17/35/972851735.db2.gz	OMCGDJIPLUFOMS-FPLPWBNLSA-N	1	0	365.437	1.960	20	30		FDEDRO
CC1(C)CO[C@H](CCC(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@H]2O)C1	ZINC001198172477	972852145	/nfs/dbraw/zinc/85/21/45/972852145.db2.gz	ZIHVCOVZAJCWHH-GUDVDZBRSA-N	1	0	371.481	1.815	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)n(C)nc2Cl)C1	ZINC001198199617	972868286	/nfs/dbraw/zinc/86/82/86/972868286.db2.gz	FISDWLVIHQJMKH-ZIAGYGMSSA-N	1	0	354.882	1.903	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@H+](C[C@@H](OCC)C3CC3)C[C@H]2O)CCOCC1	ZINC001198239408	972926869	/nfs/dbraw/zinc/92/68/69/972926869.db2.gz	LLGLGWLMMIKHST-KZNAEPCWSA-N	1	0	366.502	1.336	20	30		FDEDRO
C[C@H](CCNC(=O)OC(C)(C)C)[NH2+]C[C@@H](O)CC1(C#N)CCOCC1	ZINC000863553573	973011270	/nfs/dbraw/zinc/01/12/70/973011270.db2.gz	FNAPXRCCQGLKNO-CABCVRRESA-N	1	0	355.479	1.951	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+]C[C@H](O)CC1(C#N)CCOCC1	ZINC000863557182	973013978	/nfs/dbraw/zinc/01/39/78/973013978.db2.gz	LHCFAWVFJPDRRJ-WCVJEAGWSA-N	1	0	365.474	1.513	20	30		FDEDRO
C[C@H]([NH2+]C[C@H](O)COc1ccccc1C#N)[C@H](O)c1ccc2c(c1)OCO2	ZINC000863562574	973017621	/nfs/dbraw/zinc/01/76/21/973017621.db2.gz	LGYCRLOARJDHNU-RISOHXOYSA-N	1	0	370.405	1.738	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)CC1	ZINC000863562565	973018365	/nfs/dbraw/zinc/01/83/65/973018365.db2.gz	LEULLBJQERHIGV-OCCSQVGLSA-N	1	0	352.818	1.789	20	30		FDEDRO
C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)CN1C(=O)OC(C)(C)C	ZINC000863582859	973033612	/nfs/dbraw/zinc/03/36/12/973033612.db2.gz	VRXWCKLFZJDFEL-OWCLPIDISA-N	1	0	354.495	1.570	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)(F)F	ZINC000863597120	973050227	/nfs/dbraw/zinc/05/02/27/973050227.db2.gz	FNWFHNSGXIYJDC-CRWXNKLISA-N	1	0	359.392	1.362	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3[nH]c(C)c(C)c3c2)C1	ZINC001198520764	973203103	/nfs/dbraw/zinc/20/31/03/973203103.db2.gz	PRQBDEAUWZTJTG-RTBURBONSA-N	1	0	357.454	1.762	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCc2nc(C)no2)C1	ZINC001198637438	973340164	/nfs/dbraw/zinc/34/01/64/973340164.db2.gz	CFPACZADKVTWQJ-HZPDHXFCSA-N	1	0	352.479	1.832	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)N2CCCC2=O)C1	ZINC001198833734	973528046	/nfs/dbraw/zinc/52/80/46/973528046.db2.gz	DRIRAGBQDSCPBE-BRWVUGGUSA-N	1	0	353.507	1.519	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)CC(C)(C)C)C1	ZINC001198792465	973534617	/nfs/dbraw/zinc/53/46/17/973534617.db2.gz	HYTXAYXFIHRGNE-HZPDHXFCSA-N	1	0	355.523	1.671	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CCc2cccc(F)c2)C1	ZINC001198864266	973604717	/nfs/dbraw/zinc/60/47/17/973604717.db2.gz	XKEXJDVMRXEHNP-KFKAGJAMSA-N	1	0	364.461	1.758	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC=C)Cc2ccccc2)C1	ZINC001198888584	973660637	/nfs/dbraw/zinc/66/06/37/973660637.db2.gz	HHUSPZKCMFYRFN-XUVXKRRUSA-N	1	0	358.482	1.785	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]([NH2+]CCO)c1ccccc1OC	ZINC001198925320	973693381	/nfs/dbraw/zinc/69/33/81/973693381.db2.gz	RSMONTCUPWTXPL-LNLFQRSKSA-N	1	0	362.470	1.806	20	30		FDEDRO
O=C(CC#Cc1ccccc1)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O	ZINC001198944758	973784350	/nfs/dbraw/zinc/78/43/50/973784350.db2.gz	NMZZHWLIXOIUIH-WOJBJXKFSA-N	1	0	356.466	1.406	20	30		FDEDRO
C=CCN(CCC#N)C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000794735148	973795306	/nfs/dbraw/zinc/79/53/06/973795306.db2.gz	PPUJZQSYYWFPDM-LJQANCHMSA-N	1	0	358.486	1.580	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nnc2-c2ccccc2)C1	ZINC001199156023	973967770	/nfs/dbraw/zinc/96/77/70/973967770.db2.gz	YEHBSVGWIQDXHU-FVQBIDKESA-N	1	0	355.442	1.601	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)c2sccc2CC#N)CC1	ZINC000865024344	974021730	/nfs/dbraw/zinc/02/17/30/974021730.db2.gz	BVLDKWFCTMTCJI-UHFFFAOYSA-N	1	0	355.467	1.891	20	30		FDEDRO
N#Cc1cc(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)co1	ZINC000865169908	974154875	/nfs/dbraw/zinc/15/48/75/974154875.db2.gz	WYVUWZCEBQHFCZ-UHFFFAOYSA-N	1	0	354.414	1.273	20	30		FDEDRO
C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCc1nnnn1C	ZINC000865348836	974250521	/nfs/dbraw/zinc/25/05/21/974250521.db2.gz	FBSLHVUMVMMOCX-UHFFFAOYSA-N	1	0	362.507	1.351	20	30		FDEDRO
C#CC[C@@H](CC(=O)N[C@@H]1CN(Cc2cncn2C)C[C@H]1O)c1ccccc1	ZINC001199505103	974325570	/nfs/dbraw/zinc/32/55/70/974325570.db2.gz	ADMVEESYRBMYKW-DFQSSKMNSA-N	1	0	366.465	1.279	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COc1ccc(F)cc1	ZINC001110537854	974409708	/nfs/dbraw/zinc/40/97/08/974409708.db2.gz	BFABBRWKHWIXOQ-BWPNAZKDSA-N	1	0	374.456	1.946	20	30		FDEDRO
COc1ccc(CC[NH+]2CCC(NC(=O)c3cnc(C#N)cn3)CC2)cc1	ZINC001199668920	974453146	/nfs/dbraw/zinc/45/31/46/974453146.db2.gz	DFUDXIXBDPJUKA-UHFFFAOYSA-N	1	0	365.437	1.794	20	30		FDEDRO
C[C@@H]1COC(=O)C1=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000794871133	974521623	/nfs/dbraw/zinc/52/16/23/974521623.db2.gz	VHIMJHMJRSVMJY-CYBMUJFWSA-N	1	0	360.483	1.664	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc2c(c1)OCCO2	ZINC001110547675	974679449	/nfs/dbraw/zinc/67/94/49/974679449.db2.gz	PNHDQQBDHUYEBJ-DDBAPUKQSA-N	1	0	370.449	1.718	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOc1ccc(F)cc1	ZINC001110551798	974752382	/nfs/dbraw/zinc/75/23/82/974752382.db2.gz	BUJHUTUXONMFDM-OPNNQBFTSA-N	1	0	360.429	1.964	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C1CCN(C(=O)C[C@@H]2C[C@H]2c2ccccc2)CC1	ZINC001200599245	974822800	/nfs/dbraw/zinc/82/28/00/974822800.db2.gz	LGXCTJMODISTSJ-WMZOPIPTSA-N	1	0	354.454	1.401	20	30		FDEDRO
COCC#CC[NH2+]C1CCN(C(=O)[C@@H]2CCO[C@H]2c2ccncc2)CC1	ZINC001200616096	974836659	/nfs/dbraw/zinc/83/66/59/974836659.db2.gz	XYAXZDGVPCPCPG-MOPGFXCFSA-N	1	0	357.454	1.390	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]CCO[C@H]2CC2(F)F)CC1	ZINC001200637476	974853060	/nfs/dbraw/zinc/85/30/60/974853060.db2.gz	UTZYFFACBFVIBP-PMPSAXMXSA-N	1	0	358.429	1.972	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)NCC(C)C)CC1	ZINC001200637566	974854754	/nfs/dbraw/zinc/85/47/54/974854754.db2.gz	XTPGJTDGVZZZON-SJORKVTESA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc(OC(C)C)cn1)C2	ZINC001110562110	974998944	/nfs/dbraw/zinc/99/89/44/974998944.db2.gz	GSEVEDCSGFJMPF-INMHGKMJSA-N	1	0	360.458	1.802	20	30		FDEDRO
CN(C)c1cc[nH+]cc1CN=Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000776182672	975038623	/nfs/dbraw/zinc/03/86/23/975038623.db2.gz	CMZZKKZJNNGBPK-UHFFFAOYSA-N	1	0	364.387	1.149	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2CC)CCCO1	ZINC001201454463	975053551	/nfs/dbraw/zinc/05/35/51/975053551.db2.gz	OSZIVIUTSBDXQX-KZNAEPCWSA-N	1	0	363.502	1.440	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2CC)CCCO1	ZINC001201454462	975053935	/nfs/dbraw/zinc/05/39/35/975053935.db2.gz	OSZIVIUTSBDXQX-FGTMMUONSA-N	1	0	363.502	1.440	20	30		FDEDRO
O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCCO[C@@H](C[NH2+]CC#Cc2ccccc2)C1	ZINC001201447029	975064203	/nfs/dbraw/zinc/06/42/03/975064203.db2.gz	JJWZOKWZRNUYCJ-MHTWAQMVSA-N	1	0	368.477	1.813	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21	ZINC000121584756	975064291	/nfs/dbraw/zinc/06/42/91/975064291.db2.gz	UGPBOQCCXAAYRN-OAHLLOKOSA-N	1	0	371.437	1.357	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[C@@H](C)O2)CCCO1	ZINC001201448829	975065124	/nfs/dbraw/zinc/06/51/24/975065124.db2.gz	VWTLBRJOVLTJGI-HZSPNIEDSA-N	1	0	361.280	1.670	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CCOCCCC)C1	ZINC001201622652	975100772	/nfs/dbraw/zinc/10/07/72/975100772.db2.gz	XBOLLHKLKBWETR-QYZOEREBSA-N	1	0	368.518	1.991	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CCCCOC)C1	ZINC001201621920	975100867	/nfs/dbraw/zinc/10/08/67/975100867.db2.gz	QSADWQDCVWMQTB-SQNIBIBYSA-N	1	0	354.491	1.601	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCN(C(=O)CC)C1)C2	ZINC001110584809	975316802	/nfs/dbraw/zinc/31/68/02/975316802.db2.gz	LPSKKXWMNNZTRO-MLHJIOFPSA-N	1	0	363.502	1.559	20	30		FDEDRO
C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCC#N)CC(F)(F)F	ZINC000866198140	975478137	/nfs/dbraw/zinc/47/81/37/975478137.db2.gz	TZBJAKREDRSBHS-NSHDSACASA-N	1	0	366.384	1.746	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1	ZINC000866704698	975932499	/nfs/dbraw/zinc/93/24/99/975932499.db2.gz	WYQRSGAHLHFVSE-FPOVZHCZSA-N	1	0	368.456	1.750	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)OC[C@H](C)[NH+]2CCCCC2)c1	ZINC000847961027	976200159	/nfs/dbraw/zinc/20/01/59/976200159.db2.gz	SLEPKNNTRLNFSU-HNNXBMFYSA-N	1	0	364.467	1.629	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)Cc2cnnn2C)C1	ZINC001017130297	1014339925	/nfs/dbraw/zinc/33/99/25/1014339925.db2.gz	NTKFICKFPNNEOA-NXHRZFHOSA-N	1	0	361.490	1.467	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NCC1(c2ccccc2)CC[NH+](C)CC1	ZINC000867705859	976687028	/nfs/dbraw/zinc/68/70/28/976687028.db2.gz	NIWASTWHFSUEMB-MRXNPFEDSA-N	1	0	364.515	1.576	20	30		FDEDRO
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)cc2)CC1	ZINC000848428679	976730077	/nfs/dbraw/zinc/73/00/77/976730077.db2.gz	GPGJSURPQQOGIT-IBGZPJMESA-N	1	0	371.485	1.383	20	30		FDEDRO
C#C[C@H]1CCCN(CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)C1	ZINC000848494816	976841698	/nfs/dbraw/zinc/84/16/98/976841698.db2.gz	SLLVENDADJBCJT-YTQUADARSA-N	1	0	351.450	1.406	20	30		FDEDRO
N#C[C@@]1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCCOC1	ZINC000867798391	976885923	/nfs/dbraw/zinc/88/59/23/976885923.db2.gz	NUMIPOQKDALULV-ICSRJNTNSA-N	1	0	357.454	1.714	20	30		FDEDRO
C[NH+]1CCN(C2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)CC1	ZINC000867817142	976931224	/nfs/dbraw/zinc/93/12/24/976931224.db2.gz	WEMBTLZUKPWPPT-UHFFFAOYSA-N	1	0	354.520	1.112	20	30		FDEDRO
COC(=O)Cc1ccccc1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000848676447	976992567	/nfs/dbraw/zinc/99/25/67/976992567.db2.gz	UFYMTDMQDCETDH-UHFFFAOYSA-N	1	0	372.446	1.837	20	30		FDEDRO
C[C@](C#N)(NC(=O)COC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1	ZINC000848775752	977084333	/nfs/dbraw/zinc/08/43/33/977084333.db2.gz	VHRHAMLVXPRBDL-OXJNMPFZSA-N	1	0	355.438	1.860	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC(OC[C@@H]2CCCO2)CC1	ZINC000867942664	977120066	/nfs/dbraw/zinc/12/00/66/977120066.db2.gz	FFEBTCRQJYMDGR-AZUAARDMSA-N	1	0	369.465	1.932	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000867947031	977126986	/nfs/dbraw/zinc/12/69/86/977126986.db2.gz	XVEKDSXFBLZJKG-KRWDZBQOSA-N	1	0	356.426	1.482	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N(CCC(N)=O)Cc1ccccc1	ZINC000867947442	977127239	/nfs/dbraw/zinc/12/72/39/977127239.db2.gz	FIVONTUMVUFXON-FQEVSTJZSA-N	1	0	362.433	1.649	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCCCOCC1CCOCC1	ZINC000867955023	977136929	/nfs/dbraw/zinc/13/69/29/977136929.db2.gz	VCJDGPVJSCZGGE-IBGZPJMESA-N	1	0	357.454	1.695	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@H]1CCN(CC(F)(F)F)C1	ZINC000867958757	977142701	/nfs/dbraw/zinc/14/27/01/977142701.db2.gz	HCYOVZNHSIUMCJ-CJNGLKHVSA-N	1	0	366.387	1.745	20	30		FDEDRO
N#Cc1ccc2c(c1)CCN[C@H]2C(=O)N1CC[NH+](CC2CCOCC2)CC1	ZINC000867959942	977143215	/nfs/dbraw/zinc/14/32/15/977143215.db2.gz	FDLGEOVFHHHWBL-HXUWFJFHSA-N	1	0	368.481	1.316	20	30		FDEDRO
COC(=O)C1(CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CCCCC1	ZINC000867976051	977157695	/nfs/dbraw/zinc/15/76/95/977157695.db2.gz	DYGYEZYWCLVHSR-QGZVFWFLSA-N	1	0	355.438	1.985	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC(N2CCCCC2=O)CC1	ZINC000867975994	977158085	/nfs/dbraw/zinc/15/80/85/977158085.db2.gz	UPHDCBIUPXTSEI-FQEVSTJZSA-N	1	0	366.465	1.749	20	30		FDEDRO
CN(C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)[C@@H](CC(N)=O)c1ccccc1	ZINC000867977381	977161578	/nfs/dbraw/zinc/16/15/78/977161578.db2.gz	GFITXHKNDKTXOH-AZUAARDMSA-N	1	0	362.433	1.820	20	30		FDEDRO
C[C@H](CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)N1C[C@@H](C)O[C@@H](C)C1	ZINC000867984364	977169280	/nfs/dbraw/zinc/16/92/80/977169280.db2.gz	WCNYKAXWVLJUQV-BKEDOTJMSA-N	1	0	356.470	1.359	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C	ZINC000867997772	977179732	/nfs/dbraw/zinc/17/97/32/977179732.db2.gz	JIJSHPMEPVYWQT-SOUVJXGZSA-N	1	0	355.479	1.539	20	30		FDEDRO
CNC(N[C@@H]1CCN([C@@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O)=[NH+]C	ZINC000849089985	977309914	/nfs/dbraw/zinc/30/99/14/977309914.db2.gz	OVHUTHPCFWGHPC-HUUCEWRRSA-N	1	0	360.458	1.465	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1	ZINC000868132140	977311791	/nfs/dbraw/zinc/31/17/91/977311791.db2.gz	GAUCMERCLICEQW-CFVMTHIKSA-N	1	0	359.361	1.096	20	30		FDEDRO
C[NH+]=C(NCc1ccco1)NCc1ccc(S(=O)(=O)CCOC)cc1	ZINC000849103533	977316741	/nfs/dbraw/zinc/31/67/41/977316741.db2.gz	UMVNWOVXSYRLOT-UHFFFAOYSA-N	1	0	365.455	1.565	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC2)cc1	ZINC000868168468	977331070	/nfs/dbraw/zinc/33/10/70/977331070.db2.gz	YKCBAJUEQHXNBP-AWEZNQCLSA-N	1	0	355.364	1.670	20	30		FDEDRO
C[NH+](C)CCNC(=S)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1	ZINC000795000614	977334350	/nfs/dbraw/zinc/33/43/50/977334350.db2.gz	FRIDKHHQBHOKQT-INIZCTEOSA-N	1	0	365.934	1.958	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)n1	ZINC000868240452	977378023	/nfs/dbraw/zinc/37/80/23/977378023.db2.gz	SPQAHPMIGBGBHR-ZWKOTPCHSA-N	1	0	365.437	1.318	20	30		FDEDRO
[NH3+][C@H]1C[C@@H](CNC(=O)C(=O)Nc2cccc(C#Cc3cccs3)c2)C1	ZINC000868302509	977473889	/nfs/dbraw/zinc/47/38/89/977473889.db2.gz	KRHMOOVHBQOEKH-GASCZTMLSA-N	1	0	353.447	1.940	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1	ZINC000868581245	977789801	/nfs/dbraw/zinc/78/98/01/977789801.db2.gz	GASYTYUNVQJTCW-GOSISDBHSA-N	1	0	353.463	1.084	20	30		FDEDRO
Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2cc(F)c(C#N)c(F)c2)cn1	ZINC000849586809	977792803	/nfs/dbraw/zinc/79/28/03/977792803.db2.gz	QQRSIIBDXDFIEI-HOCLYGCPSA-N	1	0	373.407	1.922	20	30		FDEDRO
Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2ccc(C#N)c(F)c2)cn1	ZINC000849599872	977821277	/nfs/dbraw/zinc/82/12/77/977821277.db2.gz	DGUQRJGABAMHLG-SJORKVTESA-N	1	0	355.417	1.783	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](CCOC(C)(C)C)C(=O)OCC)CC1	ZINC000776441782	977870345	/nfs/dbraw/zinc/87/03/45/977870345.db2.gz	XQBKPSGWMOXUDH-MRXNPFEDSA-N	1	0	352.475	1.585	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NC1CCN(c2ccccc2C#N)CC1	ZINC000868654254	977872483	/nfs/dbraw/zinc/87/24/83/977872483.db2.gz	YOLWZRADWSGRAJ-UHFFFAOYSA-N	1	0	353.470	1.781	20	30		FDEDRO
CCOC(=O)NC1CCC([NH2+]CCNC(=O)C2N=CC=CC2=O)CC1	ZINC000850441941	978373228	/nfs/dbraw/zinc/37/32/28/978373228.db2.gz	FFOSWEUEHJMHLM-FOCLMDBBSA-N	1	0	350.419	1.160	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1	ZINC000850550214	978433403	/nfs/dbraw/zinc/43/34/03/978433403.db2.gz	NTHOARCDUUPJIS-CYBMUJFWSA-N	1	0	362.405	1.656	20	30		FDEDRO
C=CCCNC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1	ZINC000850588635	978450702	/nfs/dbraw/zinc/45/07/02/978450702.db2.gz	CBITUEJYSXBRJW-UHFFFAOYSA-N	1	0	362.449	1.987	20	30		FDEDRO
CN(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1)C(=O)C1CC1	ZINC001110622831	978499962	/nfs/dbraw/zinc/49/99/62/978499962.db2.gz	RSALZOWLUBOFKX-QRVBRYPASA-N	1	0	366.465	1.648	20	30		FDEDRO
C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC000850667939	978587037	/nfs/dbraw/zinc/58/70/37/978587037.db2.gz	YPABBZWHXAMLMN-OAHLLOKOSA-N	1	0	358.442	1.764	20	30		FDEDRO
C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CC[C@@](C)(C#N)C2)CC1	ZINC000850701121	978627717	/nfs/dbraw/zinc/62/77/17/978627717.db2.gz	FPZUQKZXNUMXFN-IBGZPJMESA-N	1	0	355.442	1.139	20	30		FDEDRO
C[NH2+]C[C@H](C)NC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1	ZINC000850727679	978651576	/nfs/dbraw/zinc/65/15/76/978651576.db2.gz	UHRHQKXZPVXRTJ-BMOWLENRSA-N	1	0	367.475	1.229	20	30		FDEDRO
COc1cc(C(=O)O[C@H]2CCCN(c3cc[nH+]c(N)n3)C2)ccc1C#N	ZINC000851000542	978750356	/nfs/dbraw/zinc/75/03/56/978750356.db2.gz	VWOAWCMBFKMOHS-AWEZNQCLSA-N	1	0	353.382	1.765	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(-c3cccnc3)nn1)C2	ZINC001110634691	978990849	/nfs/dbraw/zinc/99/08/49/978990849.db2.gz	SQVILCLWFHWWDD-KYJSFNMBSA-N	1	0	352.442	1.964	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(NC(C)=O)cn1)C2	ZINC001110637124	979086128	/nfs/dbraw/zinc/08/61/28/979086128.db2.gz	LHUQPSOCTFLAEP-NXHRZFHOSA-N	1	0	358.442	1.578	20	30		FDEDRO
C#C[C@H](NC(=O)NC[C@H](C(CC)CC)[NH+]1CCOCC1)C1CCOCC1	ZINC000851943508	979208940	/nfs/dbraw/zinc/20/89/40/979208940.db2.gz	AGCVQCMZEJCDFT-RBUKOAKNSA-N	1	0	365.518	1.851	20	30		FDEDRO
C#CCC1(O)CC[NH+]([C@@H](C)C(=O)N2CCN(c3ccccc3O)CC2)CC1	ZINC000880481386	979221914	/nfs/dbraw/zinc/22/19/14/979221914.db2.gz	JMPZJTUPVYGKRX-KRWDZBQOSA-N	1	0	371.481	1.280	20	30		FDEDRO
C#CCC1(O)CC[NH+]([C@@H](C)C(=O)NCCc2ccc3c(c2)OCCO3)CC1	ZINC000880481758	979221940	/nfs/dbraw/zinc/22/19/40/979221940.db2.gz	NMMFZPRAIWPPKG-INIZCTEOSA-N	1	0	372.465	1.355	20	30		FDEDRO
C#CCC1(O)CC[NH+]([C@@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)CC1	ZINC000880482031	979223485	/nfs/dbraw/zinc/22/34/85/979223485.db2.gz	VOCFFJRNICVRIH-JKSUJKDBSA-N	1	0	358.438	1.181	20	30		FDEDRO
C#C[C@](C)(CC)[NH2+]CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1	ZINC000852098460	979349972	/nfs/dbraw/zinc/34/99/72/979349972.db2.gz	OBQYXDMDFQAHCF-SJLPKXTDSA-N	1	0	354.516	1.726	20	30		FDEDRO
C#C[C@@](C)(CC)[NH2+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098145	979350386	/nfs/dbraw/zinc/35/03/86/979350386.db2.gz	GGTOZIUIQILZCT-PXNSSMCTSA-N	1	0	355.438	1.760	20	30		FDEDRO
C#C[C@@](C)(CC)[NH2+]CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000852101828	979350773	/nfs/dbraw/zinc/35/07/73/979350773.db2.gz	USZIMXQPROOZQP-ICSRJNTNSA-N	1	0	356.445	1.926	20	30		FDEDRO
C#C[C@H](NC(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@H]1C)C1CCOCC1	ZINC000852114023	979360200	/nfs/dbraw/zinc/36/02/00/979360200.db2.gz	BCQOTZIVAVNYAJ-NEWSRXKRSA-N	1	0	365.518	1.851	20	30		FDEDRO
C#CCOCC[N@H+]1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1	ZINC000852157082	979399283	/nfs/dbraw/zinc/39/92/83/979399283.db2.gz	YSICMCNBPFIPEV-MRXNPFEDSA-N	1	0	363.462	1.590	20	30		FDEDRO
COc1ccc(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1C#N	ZINC000880875773	979507321	/nfs/dbraw/zinc/50/73/21/979507321.db2.gz	CQGLRCQMIDTACT-INIZCTEOSA-N	1	0	373.457	1.631	20	30		FDEDRO
C[NH+]1CCC(O)(CNC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)CC1	ZINC000880927607	979529234	/nfs/dbraw/zinc/52/92/34/979529234.db2.gz	JRGYKMUURIACBX-CQSZACIVSA-N	1	0	370.375	1.918	20	30		FDEDRO
CN1c2ccccc2C(C)(C)/C1=C\C(=O)Cn1cc(C[C@@H]([NH3+])CO)nn1	ZINC000880983851	979562103	/nfs/dbraw/zinc/56/21/03/979562103.db2.gz	RGUFPGNIYKXUCU-AGZSBTIMSA-N	1	0	355.442	1.021	20	30		FDEDRO
C=C[C@](C)(O)c1cn([C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1	ZINC000881277238	979800282	/nfs/dbraw/zinc/80/02/82/979800282.db2.gz	DMVWBJGFSHPSKI-SYNHAJSKSA-N	1	0	369.469	1.623	20	30		FDEDRO
C=C[C@](C)(O)c1cn(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)nn1	ZINC000881294217	979814796	/nfs/dbraw/zinc/81/47/96/979814796.db2.gz	XDFAJCJORRGINU-FQEVSTJZSA-N	1	0	369.469	1.584	20	30		FDEDRO
C=CCCc1ccc(S(=O)(=O)NCCN2CC[NH+](CC)CC2)cc1	ZINC000882101364	980424166	/nfs/dbraw/zinc/42/41/66/980424166.db2.gz	VZISOZSRKZEWQD-UHFFFAOYSA-N	1	0	351.516	1.721	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000882635957	980773316	/nfs/dbraw/zinc/77/33/16/980773316.db2.gz	LRFZJSZFLLVNGO-HXUWFJFHSA-N	1	0	355.482	1.123	20	30		FDEDRO
N#CCCCS(=O)(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000882744457	981644938	/nfs/dbraw/zinc/64/49/38/981644938.db2.gz	AZRZAGBZRBJNPD-UHFFFAOYSA-N	1	0	365.499	1.627	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1	ZINC000858142633	981859022	/nfs/dbraw/zinc/85/90/22/981859022.db2.gz	IHBUVEWPEVUZFX-KRWDZBQOSA-N	1	0	359.474	1.061	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000858155449	981870505	/nfs/dbraw/zinc/87/05/05/981870505.db2.gz	IPLBFYQDDIUGEK-LJQANCHMSA-N	1	0	372.513	1.926	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CS(=O)(=O)C1)C2	ZINC001110743176	981965292	/nfs/dbraw/zinc/96/52/92/981965292.db2.gz	WWAPSKDMJYPALL-ZACQAIPSSA-N	1	0	354.516	1.889	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1	ZINC000858352776	982000827	/nfs/dbraw/zinc/00/08/27/982000827.db2.gz	GILMEIKVMCJCGX-RBUKOAKNSA-N	1	0	359.470	1.481	20	30		FDEDRO
C#CCOc1ccc([C@@H](C)[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)cc1	ZINC000858465773	982064755	/nfs/dbraw/zinc/06/47/55/982064755.db2.gz	MQZNQALFUZWVPO-UTKZUKDTSA-N	1	0	358.482	1.965	20	30		FDEDRO
C[C@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1ccc(OCC#N)cc1	ZINC000858465699	982064983	/nfs/dbraw/zinc/06/49/83/982064983.db2.gz	LEXYHUPEMHRDSZ-OXJNMPFZSA-N	1	0	359.470	1.855	20	30		FDEDRO
C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000883388700	982108574	/nfs/dbraw/zinc/10/85/74/982108574.db2.gz	ARBDBBUKHJFPQJ-RDJZCZTQSA-N	1	0	368.499	1.685	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1C1CC1	ZINC000883606747	982302893	/nfs/dbraw/zinc/30/28/93/982302893.db2.gz	AMTQQNIQLWRQOH-VHSSKADRSA-N	1	0	352.438	1.960	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1	ZINC000883670636	982366527	/nfs/dbraw/zinc/36/65/27/982366527.db2.gz	OHCZFPVPCQMUTI-NXHRZFHOSA-N	1	0	351.491	1.910	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1	ZINC000859022000	982462791	/nfs/dbraw/zinc/46/27/91/982462791.db2.gz	IYPWUKGQBSWKEC-IBGZPJMESA-N	1	0	373.497	1.871	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2	ZINC001110765606	982495567	/nfs/dbraw/zinc/49/55/67/982495567.db2.gz	IDEPSLYKQITNSZ-VQHPVUNQSA-N	1	0	360.502	1.027	20	30		FDEDRO
C[N@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000859138351	982568817	/nfs/dbraw/zinc/56/88/17/982568817.db2.gz	IPAPZXXCKIJWTE-OLZOCXBDSA-N	1	0	363.380	1.153	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(OC[C@@H]2CCCO2)CC1	ZINC000859158550	982584345	/nfs/dbraw/zinc/58/43/45/982584345.db2.gz	GFTPNVFOAFKASN-MJGOQNOKSA-N	1	0	360.454	1.958	20	30		FDEDRO
C#CC[C@@H]1CCCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1	ZINC000883911863	982610683	/nfs/dbraw/zinc/61/06/83/982610683.db2.gz	BAEXCEDBSRNBLS-MOPGFXCFSA-N	1	0	362.518	1.228	20	30		FDEDRO
CN(CC[N@H+](C)C[C@H](O)CC1(C#N)CCOCC1)C(=O)OC(C)(C)C	ZINC000859222770	982628362	/nfs/dbraw/zinc/62/83/62/982628362.db2.gz	SNYKEOKRGJQILY-OAHLLOKOSA-N	1	0	355.479	1.856	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C[C@H]1NC(=O)OC(C)(C)C	ZINC000859279717	982675930	/nfs/dbraw/zinc/67/59/30/982675930.db2.gz	FARHOLGXUVVYKY-OWCLPIDISA-N	1	0	367.490	1.903	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@H+](Cc2ccccc2)C2(CO)CCCC2)CC1	ZINC000859322723	982711603	/nfs/dbraw/zinc/71/16/03/982711603.db2.gz	DZBDBQWGZAOAGQ-UHFFFAOYSA-N	1	0	369.509	1.571	20	30		FDEDRO
O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCCC[NH+]1CCCCC1	ZINC000800095732	982735091	/nfs/dbraw/zinc/73/50/91/982735091.db2.gz	DKEWZCINERGGIT-UHFFFAOYSA-N	1	0	365.455	1.144	20	30		FDEDRO
CCN(CC(=O)NCc1ccc(F)cc1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884051952	982767711	/nfs/dbraw/zinc/76/77/11/982767711.db2.gz	YXTGMPPRMLZNAN-LFDOHDQPSA-N	1	0	372.444	1.430	20	30		FDEDRO
C=CCN(C(=O)c1cccc(OCC[NH2+]C)c1)[C@H]1CCS(=O)(=O)C1	ZINC000884099140	982864945	/nfs/dbraw/zinc/86/49/45/982864945.db2.gz	FQKJXVZYGCKALZ-HNNXBMFYSA-N	1	0	352.456	1.100	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCN(Cc3ccccc3)C1=O)C2	ZINC000884110191	982881711	/nfs/dbraw/zinc/88/17/11/982881711.db2.gz	BMHONGNCCZXNTN-RXCRORICSA-N	1	0	352.438	1.043	20	30		FDEDRO
Cc1ccc(NC(=O)CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c(Cl)c1	ZINC000884111631	982884336	/nfs/dbraw/zinc/88/43/36/982884336.db2.gz	PBTMOOVGWWJGMO-YNAXMUEKSA-N	1	0	360.845	1.843	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)N[C@H](c2nnc3ccccn32)C(C)C)C1	ZINC000884115357	982892143	/nfs/dbraw/zinc/89/21/43/982892143.db2.gz	OYYACLFNOGVSMM-WBVHZDCISA-N	1	0	354.458	1.823	20	30		FDEDRO
COC(=O)c1cn([C@@H]2CCN([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)nn1	ZINC000331605187	982915298	/nfs/dbraw/zinc/91/52/98/982915298.db2.gz	VESMYKDXJUIJRZ-UONOGXRCSA-N	1	0	374.445	1.043	20	30		FDEDRO
CCN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[C@@H]1CCN(c2ccccc2)C1=O	ZINC000884135239	982917966	/nfs/dbraw/zinc/91/79/66/982917966.db2.gz	FJBPLRZQPRRJGT-WJWCEJSTSA-N	1	0	366.465	1.780	20	30		FDEDRO
N#Cc1ccc(NC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1	ZINC000859615247	982944362	/nfs/dbraw/zinc/94/43/62/982944362.db2.gz	OMDOSUYLFPWUOC-CVEARBPZSA-N	1	0	355.398	1.347	20	30		FDEDRO
Cn1ccnc1[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccc(F)cc1	ZINC000884181483	982956490	/nfs/dbraw/zinc/95/64/90/982956490.db2.gz	HIKAAEOADKBHTQ-WAGVIYRNSA-N	1	0	367.428	1.904	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1cccnc1OCC(F)(F)F)C2	ZINC000884186587	982962901	/nfs/dbraw/zinc/96/29/01/982962901.db2.gz	DPAWWRLUKKJCOF-UYJPIKCFSA-N	1	0	368.359	1.778	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1	ZINC000884188968	982964799	/nfs/dbraw/zinc/96/47/99/982964799.db2.gz	UCOSFLUJOPTFBN-KRWDZBQOSA-N	1	0	359.470	1.386	20	30		FDEDRO
COc1cccc(N2CC[C@H](CNC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)C2)c1	ZINC000884207986	982983984	/nfs/dbraw/zinc/98/39/84/982983984.db2.gz	LZTXOTZXBXTBSD-HRXNXTQESA-N	1	0	368.481	1.777	20	30		FDEDRO
CC[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1nnc2n1CCCCC2	ZINC000884208458	982984584	/nfs/dbraw/zinc/98/45/84/982984584.db2.gz	APECJKAMLLOTHO-LPRCSBTHSA-N	1	0	356.474	1.711	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCCN1CCN(c3ccccc3)CC1)C2	ZINC000884234185	983008422	/nfs/dbraw/zinc/00/84/22/983008422.db2.gz	KOPNNPZRELSJEJ-WBTXTPOCSA-N	1	0	367.497	1.064	20	30		FDEDRO
N#Cc1c2ccccc2[nH]c1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1	ZINC000884338311	983095675	/nfs/dbraw/zinc/09/56/75/983095675.db2.gz	DORINQWWGCLCSV-UHFFFAOYSA-N	1	0	351.454	1.986	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(N3CCCNC3=O)cc1)C2	ZINC000884418895	983146627	/nfs/dbraw/zinc/14/66/27/983146627.db2.gz	ZIOCWFHGYHRYEQ-NGEICVOHSA-N	1	0	367.453	1.362	20	30		FDEDRO
N#Cc1ccccc1CN1C(=O)CN(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)C1=O	ZINC000884483242	983185305	/nfs/dbraw/zinc/18/53/05/983185305.db2.gz	QJFICWVQTYDROL-MSOLQXFVSA-N	1	0	368.437	1.781	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)c1ccc(C#N)cc1	ZINC000884541369	983232987	/nfs/dbraw/zinc/23/29/87/983232987.db2.gz	CDKFLOKPDHJRDK-MGPUTAFESA-N	1	0	354.454	1.728	20	30		FDEDRO
C[C@@H](C[N@H+](C)C[C@H](O)CC1(C#N)CCOCC1)NC(=O)OC(C)(C)C	ZINC000860100965	983235928	/nfs/dbraw/zinc/23/59/28/983235928.db2.gz	PTSXVSZPFLVUCV-LSDHHAIUSA-N	1	0	355.479	1.903	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@@H+]([C@H](C)COC)[C@@H]2CCc3ccccc32)CC1	ZINC000860113531	983241721	/nfs/dbraw/zinc/24/17/21/983241721.db2.gz	MIPZBANKAZRCDB-WIYYLYMNSA-N	1	0	369.509	1.788	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)/C=C\c1ccc(S(C)(=O)=O)o1	ZINC000860610868	983458186	/nfs/dbraw/zinc/45/81/86/983458186.db2.gz	CCFISCAEXUDOGS-FPAJZGIOSA-N	1	0	353.440	1.973	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)CCC(=O)N3)C2	ZINC001110787049	983469479	/nfs/dbraw/zinc/46/94/79/983469479.db2.gz	SOUSMJARUHMXLM-QRQLOZEOSA-N	1	0	367.449	1.556	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC	ZINC000860711443	983491992	/nfs/dbraw/zinc/49/19/92/983491992.db2.gz	KGEKVMONLVWLOR-INIZCTEOSA-N	1	0	374.485	1.997	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1cncc(OC)c1)C2	ZINC001110791002	983603010	/nfs/dbraw/zinc/60/30/10/983603010.db2.gz	BTEIDIDAALJFDC-QRQLOZEOSA-N	1	0	359.470	1.947	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1onc3c1CCCC3)C2	ZINC001110806437	983840180	/nfs/dbraw/zinc/84/01/80/983840180.db2.gz	PSNIXQGAQDXYHK-IXKJSCDLSA-N	1	0	372.469	1.579	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1	ZINC000862091556	984105010	/nfs/dbraw/zinc/10/50/10/984105010.db2.gz	KKISIPJFWKLNEK-QGZVFWFLSA-N	1	0	355.438	1.770	20	30		FDEDRO
C=CC[C@@]1(C(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)CCC[NH2+]1	ZINC001588764782	984123353	/nfs/dbraw/zinc/12/33/53/984123353.db2.gz	IQBYKVHJYCSREY-FQEVSTJZSA-N	1	0	372.469	1.530	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1	ZINC000862192442	984226876	/nfs/dbraw/zinc/22/68/76/984226876.db2.gz	MOHPCZAVFPYIQF-GOSISDBHSA-N	1	0	371.481	1.808	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C	ZINC000862193102	984228312	/nfs/dbraw/zinc/22/83/12/984228312.db2.gz	UHWCXLCUWGWVRV-YOEHRIQHSA-N	1	0	373.453	1.555	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1	ZINC000884782572	984785825	/nfs/dbraw/zinc/78/58/25/984785825.db2.gz	QSKGRQMVWLEMBV-AEFFLSMTSA-N	1	0	365.518	1.842	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1	ZINC000884782576	984786440	/nfs/dbraw/zinc/78/64/40/984786440.db2.gz	QSKGRQMVWLEMBV-SJLPKXTDSA-N	1	0	365.518	1.842	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1	ZINC000884782577	984786780	/nfs/dbraw/zinc/78/67/80/984786780.db2.gz	QSKGRQMVWLEMBV-WMZOPIPTSA-N	1	0	365.518	1.842	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2ccc(CCC#N)cc2)C[C@@H]1[NH+](C)C	ZINC000885078456	985161074	/nfs/dbraw/zinc/16/10/74/985161074.db2.gz	IGJIDPFWIZEMCV-JKSUJKDBSA-N	1	0	353.513	1.809	20	30		FDEDRO
C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(CCC#N)cc2)[C@@H](C)C1	ZINC000885119592	985187826	/nfs/dbraw/zinc/18/78/26/985187826.db2.gz	GIWTYDBWWJJFEY-GJZGRUSLSA-N	1	0	351.472	1.218	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1	ZINC000885161883	985213831	/nfs/dbraw/zinc/21/38/31/985213831.db2.gz	JGCCKVLSOCGWED-GOSISDBHSA-N	1	0	367.449	1.667	20	30		FDEDRO
C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F	ZINC000885285382	985289234	/nfs/dbraw/zinc/28/92/34/985289234.db2.gz	KOUXBZFAORILLU-MRXNPFEDSA-N	1	0	365.424	1.952	20	30		FDEDRO
N#CCCc1ccc(S(=O)(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1	ZINC000885309622	985321426	/nfs/dbraw/zinc/32/14/26/985321426.db2.gz	PNXXLVYAMXIZOY-QGZVFWFLSA-N	1	0	363.483	1.362	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)cc1C#N	ZINC000885847195	985695172	/nfs/dbraw/zinc/69/51/72/985695172.db2.gz	FBYQMKWYPHXVDM-ZDUSSCGKSA-N	1	0	357.439	1.556	20	30		FDEDRO
N#CC1(C[C@H](O)CN2CC[NH+](C[C@@H](O)CC3(C#N)CCC3)CC2)CCC1	ZINC000885935153	985787722	/nfs/dbraw/zinc/78/77/22/985787722.db2.gz	DEMYMWGKEMEOQV-ROUUACIJSA-N	1	0	360.502	1.494	20	30		FDEDRO
C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C#N)cc1F)n1cncn1	ZINC001095333897	985901664	/nfs/dbraw/zinc/90/16/64/985901664.db2.gz	OVDHEVNKGJUFJX-ZYUBPSHWSA-N	1	0	368.416	1.772	20	30		FDEDRO
C#CC[C@H]1CC[N@@H+]([C@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)C1	ZINC000886361722	986100499	/nfs/dbraw/zinc/10/04/99/986100499.db2.gz	SQFFDIKISSUOPX-QUCCMNQESA-N	1	0	369.509	1.869	20	30		FDEDRO
CC[C@@H](C[NH+](C)C)OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000870551328	986116218	/nfs/dbraw/zinc/11/62/18/986116218.db2.gz	XMMSIHXWVFWIRN-OCCSQVGLSA-N	1	0	353.444	1.108	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](C(=O)OC)C[C@H]2[C@@H]2CCCO2)CC1	ZINC000886387369	986136790	/nfs/dbraw/zinc/13/67/90/986136790.db2.gz	BBPSUJWNEZBGLH-BZSNNMDCSA-N	1	0	362.470	1.291	20	30		FDEDRO
C#CCC[NH+]1CCC(NS(=O)(=O)c2cnc3onc(C4CC4)c3c2)CC1	ZINC000886408844	986168798	/nfs/dbraw/zinc/16/87/98/986168798.db2.gz	YCDFYECRMAQTJO-UHFFFAOYSA-N	1	0	374.466	1.866	20	30		FDEDRO
C#CCN(C(=O)c1cnn2c1nccc2-c1cccnc1)C1CC[NH+](C)CC1	ZINC000886573455	986371911	/nfs/dbraw/zinc/37/19/11/986371911.db2.gz	JEKZZINAYVSKMN-UHFFFAOYSA-N	1	0	374.448	1.961	20	30		FDEDRO
C#CCN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CC[NH+](C)CC1	ZINC000886578936	986380119	/nfs/dbraw/zinc/38/01/19/986380119.db2.gz	RQTDLBNFRFEKCK-UHFFFAOYSA-N	1	0	367.409	1.950	20	30		FDEDRO
C#CCN(C(=O)[C@]1(F)CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1	ZINC000886579782	986382449	/nfs/dbraw/zinc/38/24/49/986382449.db2.gz	HXCJXTYESHRXPC-IBGZPJMESA-N	1	0	367.465	1.892	20	30		FDEDRO
C#CCN(C(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1)C1CC[NH+](C)CC1	ZINC000886587149	986393247	/nfs/dbraw/zinc/39/32/47/986393247.db2.gz	IMVPWMZYTYSIBC-HXUWFJFHSA-N	1	0	371.481	1.819	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3C[C@@H]4[C@H](O)CC[C@@H]4C3)CC2)c1	ZINC000889316082	986473538	/nfs/dbraw/zinc/47/35/38/986473538.db2.gz	GQHIGIUVUGLIMM-YZGWKJHDSA-N	1	0	368.481	1.935	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N[C@](C)(CO)Cc1ccc(Br)cc1	ZINC000870948726	986536939	/nfs/dbraw/zinc/53/69/39/986536939.db2.gz	ZBOOJLWHAGGTPV-INIZCTEOSA-N	1	0	355.276	1.977	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@@H]([C@H]4CCCO4)C3)CC2)o1	ZINC000886824976	986615701	/nfs/dbraw/zinc/61/57/01/986615701.db2.gz	KFIVZMZXBPUIQI-NVXWUHKLSA-N	1	0	373.457	1.004	20	30		FDEDRO
C=CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H]2[C@H](CC[N@H+]2C)C1	ZINC000871060281	986630750	/nfs/dbraw/zinc/63/07/50/986630750.db2.gz	MLZXVFVVGAHJBC-IAGOWNOFSA-N	1	0	355.490	1.856	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+](C)C(C)(C)CC2)c1	ZINC000871152257	986719326	/nfs/dbraw/zinc/71/93/26/986719326.db2.gz	UNFWIJUKRBMDCA-UHFFFAOYSA-N	1	0	363.483	1.154	20	30		FDEDRO
C#CCN1CCN(C(=O)CN2CCN(c3cccc(F)c3)C[C@H]2C)CC1	ZINC000795186555	987196633	/nfs/dbraw/zinc/19/66/33/987196633.db2.gz	AEKYGRDIFAGRRS-QGZVFWFLSA-N	1	0	358.461	1.114	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)ccc1Cl	ZINC000871812693	987263702	/nfs/dbraw/zinc/26/37/02/987263702.db2.gz	BOQALFWOXMSDJR-GXSJLCMTSA-N	1	0	367.780	1.969	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@H]2CC(=O)c3ccccc3O2)c1	ZINC000872233165	987531887	/nfs/dbraw/zinc/53/18/87/987531887.db2.gz	OKJRHZBZFVUATB-OAHLLOKOSA-N	1	0	370.430	1.956	20	30		FDEDRO
N#CCc1ccsc1C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1	ZINC000872250894	987542263	/nfs/dbraw/zinc/54/22/63/987542263.db2.gz	DJDZLFWXUDNMPE-KGLIPLIRSA-N	1	0	360.439	1.211	20	30		FDEDRO
CC(C)(C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccc(C#N)cc1	ZINC000872302392	987584551	/nfs/dbraw/zinc/58/45/51/987584551.db2.gz	XXXXDOSKHRTOCQ-BBWFWOEESA-N	1	0	368.437	1.229	20	30		FDEDRO
CN1CC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)Cc2cccnc21	ZINC000872317144	987596690	/nfs/dbraw/zinc/59/66/90/987596690.db2.gz	IKXFPKCYUAAHIC-GOSISDBHSA-N	1	0	352.438	1.839	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)NC[C@H](C)CN1CC[NH+](C)CC1	ZINC000872455608	987677671	/nfs/dbraw/zinc/67/76/71/987677671.db2.gz	WNBNHKGWIPSPTJ-AWEZNQCLSA-N	1	0	350.488	1.029	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2c(C)cccc2C#N)C1	ZINC000872459032	987681778	/nfs/dbraw/zinc/68/17/78/987681778.db2.gz	PJMNFMVEKIRYDJ-KRWDZBQOSA-N	1	0	365.499	1.988	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21	ZINC000872463081	987686187	/nfs/dbraw/zinc/68/61/87/987686187.db2.gz	ICROPQXTSDCCOP-GVDBMIGSSA-N	1	0	363.483	1.739	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(S(=O)(=O)c2ccc(C)cc2C#N)CC1	ZINC000872482482	987708089	/nfs/dbraw/zinc/70/80/89/987708089.db2.gz	VDYRCHANNUZNGJ-UHFFFAOYSA-N	1	0	372.450	1.781	20	30		FDEDRO
COCCN1CCN(S(=O)(=O)c2c(C)cccc2C#N)C(C)(C)C1	ZINC000872502164	987725686	/nfs/dbraw/zinc/72/56/86/987725686.db2.gz	SRZYRNVVEMPFGG-UHFFFAOYSA-N	1	0	351.472	1.598	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)C[C@H]1c1ccccc1	ZINC000292812543	987906908	/nfs/dbraw/zinc/90/69/08/987906908.db2.gz	WJYZMMVRKKHRHN-FGTMMUONSA-N	1	0	369.469	1.275	20	30		FDEDRO
C[N@@H+]1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CCC1(C)C	ZINC000872696277	987984572	/nfs/dbraw/zinc/98/45/72/987984572.db2.gz	PIUBCKJHOSKGFK-UHFFFAOYSA-N	1	0	369.469	1.696	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)c1	ZINC000293189283	987986442	/nfs/dbraw/zinc/98/64/42/987986442.db2.gz	VPRGAOBDTOBNPB-UHFFFAOYSA-N	1	0	356.470	1.999	20	30		FDEDRO
C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccc(C#N)cn2)C1	ZINC000293253120	988006014	/nfs/dbraw/zinc/00/60/14/988006014.db2.gz	ZGAYDXPIMUYHQC-KBPBESRZSA-N	1	0	357.458	1.764	20	30		FDEDRO
CC(C)[C@H]1CN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC[N@@H+]1C	ZINC000872735889	988020888	/nfs/dbraw/zinc/02/08/88/988020888.db2.gz	CXENWAOCOPBEJW-YLJYHZDGSA-N	1	0	369.469	1.555	20	30		FDEDRO
C[C@H]1CN(Cc2ccccc2)CCN1C(=O)C(=O)Nc1ccc(C#N)cn1	ZINC000293552486	988109337	/nfs/dbraw/zinc/10/93/37/988109337.db2.gz	YYODFPLXDRCROA-HNNXBMFYSA-N	1	0	363.421	1.625	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc1	ZINC000293605615	988129463	/nfs/dbraw/zinc/12/94/63/988129463.db2.gz	GLZAEIXASDOGEW-HOCLYGCPSA-N	1	0	353.426	1.367	20	30		FDEDRO
N#Cc1ccc(C(F)(F)F)nc1N1CCN([C@H]2CCCCNC2=O)CC1	ZINC000365923013	988229114	/nfs/dbraw/zinc/22/91/14/988229114.db2.gz	YVWOSWBBWUWNDF-ZDUSSCGKSA-N	1	0	367.375	1.763	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)CC2)cn1	ZINC000872925071	988290411	/nfs/dbraw/zinc/29/04/11/988290411.db2.gz	JJVCBEFZIIUVJY-OAHLLOKOSA-N	1	0	354.458	1.269	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)CC1	ZINC000299353497	988358969	/nfs/dbraw/zinc/35/89/69/988358969.db2.gz	OTXMZMAOCPTOII-UHFFFAOYSA-N	1	0	369.465	1.972	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NCC3CC[NH+](C4CC4)CC3)CC2)cn1	ZINC000872987970	988380952	/nfs/dbraw/zinc/38/09/52/988380952.db2.gz	DDRCVFMIRQMRPQ-UHFFFAOYSA-N	1	0	368.485	1.659	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)ccc1F	ZINC000873103749	988554225	/nfs/dbraw/zinc/55/42/25/988554225.db2.gz	GRAKTNQGXZPFDU-KOLCDFICSA-N	1	0	358.295	1.231	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C[N@@H+]1C1CC1	ZINC000366271407	988590959	/nfs/dbraw/zinc/59/09/59/988590959.db2.gz	UKTDPWRBRZPHBE-UNEWFSDZSA-N	1	0	355.442	1.741	20	30		FDEDRO
N#Cc1ncn(C2CCN(C(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)CC2)n1	ZINC000366272111	988592498	/nfs/dbraw/zinc/59/24/98/988592498.db2.gz	UNWADVAYDPVLDG-MRXNPFEDSA-N	1	0	357.462	1.513	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH2+]C[C@]2(N3CCOCC3)CCCOC2)cc1	ZINC000362214817	988607015	/nfs/dbraw/zinc/60/70/15/988607015.db2.gz	CDSUBPHSXHOMSP-YLJYHZDGSA-N	1	0	359.470	1.948	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC(=O)N1CCC(n2cnc(C#N)n2)CC1)C(C)(C)C	ZINC000366307828	988610793	/nfs/dbraw/zinc/61/07/93/988610793.db2.gz	GRFUGJKYAYACJK-OAHLLOKOSA-N	1	0	361.494	1.863	20	30		FDEDRO
Cc1cnn(C2CC[NH+](CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CC2)c1	ZINC000362307287	988630119	/nfs/dbraw/zinc/63/01/19/988630119.db2.gz	VBRSUUHBXXZDAE-LJQANCHMSA-N	1	0	372.517	1.521	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC2(C[C@@H]2C(=O)N2CCCC2)CC1	ZINC000362341274	988637750	/nfs/dbraw/zinc/63/77/50/988637750.db2.gz	NBTKGTCNDYBZEV-IAGOWNOFSA-N	1	0	360.502	1.719	20	30		FDEDRO
Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)cc1C	ZINC000366447699	988702644	/nfs/dbraw/zinc/70/26/44/988702644.db2.gz	USXMAESLHGHRJC-IRXDYDNUSA-N	1	0	368.437	1.145	20	30		FDEDRO
C[C@@](C#N)(NC(=O)CN1CCC(C(=O)NC2CCCCC2)CC1)C1CC1	ZINC000363094128	988916513	/nfs/dbraw/zinc/91/65/13/988916513.db2.gz	SBQIQZGIIVABMD-FQEVSTJZSA-N	1	0	360.502	1.956	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)c1	ZINC000363190931	988981954	/nfs/dbraw/zinc/98/19/54/988981954.db2.gz	NXRKHHLCIKICRK-IBGZPJMESA-N	1	0	368.481	1.899	20	30		FDEDRO
Cc1c(C(=O)NCCCCC#N)nnn1-c1cccc2c1CC[N@@H+](C)C2	ZINC000368515250	988996658	/nfs/dbraw/zinc/99/66/58/988996658.db2.gz	HEHIGUZKJKHKKT-UHFFFAOYSA-N	1	0	352.442	1.987	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)N2CCC[N@@H+](C3CCOCC3)CC2)cc1	ZINC000363250254	989032508	/nfs/dbraw/zinc/03/25/08/989032508.db2.gz	LHQMTOPGGQGFPB-UHFFFAOYSA-N	1	0	372.469	1.985	20	30		FDEDRO
N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCc3nnc(N)cc3C1)CCC2	ZINC000369263826	989038417	/nfs/dbraw/zinc/03/84/17/989038417.db2.gz	GEVSLRHLEOLKRD-UHFFFAOYSA-N	1	0	368.466	1.868	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)c1	ZINC000363282818	989059382	/nfs/dbraw/zinc/05/93/82/989059382.db2.gz	OUZHUDHFRYLQLT-YJBOKZPZSA-N	1	0	360.433	1.997	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1C#N	ZINC000873744223	989103180	/nfs/dbraw/zinc/10/31/80/989103180.db2.gz	NLTNQWPVFINMKH-OAHLLOKOSA-N	1	0	370.453	1.696	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)c1cccc(N2CCOC2=O)c1	ZINC000296330958	989126459	/nfs/dbraw/zinc/12/64/59/989126459.db2.gz	LPYUDPPEQHWZIL-HNNXBMFYSA-N	1	0	358.442	1.959	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCC(n3cnc(C#N)n3)CC2)C1	ZINC000369731748	989129160	/nfs/dbraw/zinc/12/91/60/989129160.db2.gz	WYTPRWSVTOMMDX-OAHLLOKOSA-N	1	0	359.478	1.617	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1C#N	ZINC000873773574	989156090	/nfs/dbraw/zinc/15/60/90/989156090.db2.gz	RVDHSZPQWYCTMZ-CZUORRHYSA-N	1	0	356.426	1.448	20	30		FDEDRO
N#CCCn1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCCC3)C2)n1	ZINC000363422214	989184695	/nfs/dbraw/zinc/18/46/95/989184695.db2.gz	LMSOQWKOMKBAGQ-HNNXBMFYSA-N	1	0	372.473	1.649	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000363454439	989213447	/nfs/dbraw/zinc/21/34/47/989213447.db2.gz	NWNDFXBXXKGAFF-PBHICJAKSA-N	1	0	370.453	1.266	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cncc(C(F)F)c1	ZINC000873820653	989254944	/nfs/dbraw/zinc/25/49/44/989254944.db2.gz	SDBLMQBVEWSZKS-UHFFFAOYSA-N	1	0	353.373	1.652	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1	ZINC000363540029	989280128	/nfs/dbraw/zinc/28/01/28/989280128.db2.gz	RLTSDXGWPWVIRZ-ROUUACIJSA-N	1	0	372.469	1.665	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CC[NH+](CC)CC2)s1	ZINC000873840607	989297537	/nfs/dbraw/zinc/29/75/37/989297537.db2.gz	UMLFBURMYFZKKN-UHFFFAOYSA-N	1	0	371.528	1.355	20	30		FDEDRO
C#Cc1ccc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1	ZINC000296584615	989305122	/nfs/dbraw/zinc/30/51/22/989305122.db2.gz	FYXNUGCVMAJJGE-YQQQUEKLSA-N	1	0	368.481	1.551	20	30		FDEDRO
C=CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1	ZINC000369961181	989344815	/nfs/dbraw/zinc/34/48/15/989344815.db2.gz	JZMXCZAEJOASLB-WOJBJXKFSA-N	1	0	357.498	1.869	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCCN(c3ccccc3OC)C2=O)CC1	ZINC000363662126	989375152	/nfs/dbraw/zinc/37/51/52/989375152.db2.gz	SXIAAPNDALZCKV-KRWDZBQOSA-N	1	0	369.465	1.652	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1	ZINC000363682184	989391432	/nfs/dbraw/zinc/39/14/32/989391432.db2.gz	IZTWFGSUPATDIE-WBVHZDCISA-N	1	0	359.426	1.169	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1	ZINC000363720632	989408153	/nfs/dbraw/zinc/40/81/53/989408153.db2.gz	VNULOKRDKHPISA-AWEZNQCLSA-N	1	0	356.405	2.489	20	30		FDEDRO
C[N@H+](CC(=O)NCc1cccc(C#N)c1)C1CCN(c2cnccn2)CC1	ZINC000370052003	989414898	/nfs/dbraw/zinc/41/48/98/989414898.db2.gz	YNNZLOTUCLQRTF-UHFFFAOYSA-N	1	0	364.453	1.565	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCN(c2ccccc2OC)C1=O	ZINC000296868224	989442769	/nfs/dbraw/zinc/44/27/69/989442769.db2.gz	KWFTTWHLBWPBKS-OAHLLOKOSA-N	1	0	358.442	1.055	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1	ZINC000296953870	989452007	/nfs/dbraw/zinc/45/20/07/989452007.db2.gz	QKCMOOAKOOILRN-UHFFFAOYSA-N	1	0	374.460	1.638	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)[C@@H]2C1	ZINC000364024464	989480016	/nfs/dbraw/zinc/48/00/16/989480016.db2.gz	ZAJRYXMPRBMXAF-XJKSGUPXSA-N	1	0	351.414	1.697	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1C#N	ZINC000873939250	989491005	/nfs/dbraw/zinc/49/10/05/989491005.db2.gz	ZLAQEMWSPVDEGX-CYBMUJFWSA-N	1	0	358.442	1.742	20	30		FDEDRO
CC(C)(O)C[N@@H+]1CCCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000364153769	989503348	/nfs/dbraw/zinc/50/33/48/989503348.db2.gz	AGDMMPXFMPQTSI-GOSISDBHSA-N	1	0	356.470	1.442	20	30		FDEDRO
CCC1([NH+](C)C)CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CC1	ZINC000874039016	989667175	/nfs/dbraw/zinc/66/71/75/989667175.db2.gz	BSURGJYKZNTOCJ-UHFFFAOYSA-N	1	0	358.442	1.860	20	30		FDEDRO
CCc1nnc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)[nH]1	ZINC000297748643	989672746	/nfs/dbraw/zinc/67/27/46/989672746.db2.gz	UZHLUJFCIUICLO-UHFFFAOYSA-N	1	0	367.457	1.656	20	30		FDEDRO
CN1C(=O)CS/C1=C\C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000874076562	989713618	/nfs/dbraw/zinc/71/36/18/989713618.db2.gz	QGRVNKPYTQRISA-ZDLGFXPLSA-N	1	0	358.467	1.495	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1	ZINC000364693187	989720758	/nfs/dbraw/zinc/72/07/58/989720758.db2.gz	GHQHISGJRXNEQQ-QGZVFWFLSA-N	1	0	350.426	1.939	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)CC[C@@H]21	ZINC000874173280	989876249	/nfs/dbraw/zinc/87/62/49/989876249.db2.gz	NEZDKQXJXBOKCC-JSGCOSHPSA-N	1	0	358.446	1.001	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)c1C#N	ZINC000874177883	989895482	/nfs/dbraw/zinc/89/54/82/989895482.db2.gz	HSJDLOGNIKBXPJ-UHFFFAOYSA-N	1	0	369.469	1.044	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1	ZINC000298260007	989994409	/nfs/dbraw/zinc/99/44/09/989994409.db2.gz	FUJUSKGRYWRDJI-OAQYLSRUSA-N	1	0	371.481	1.764	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000874365029	990180674	/nfs/dbraw/zinc/18/06/74/990180674.db2.gz	CICLTVWYWHLYHM-LSDHHAIUSA-N	1	0	357.458	1.748	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1	ZINC000298591734	990183146	/nfs/dbraw/zinc/18/31/46/990183146.db2.gz	PLDYZSHEGAAMMT-KRWDZBQOSA-N	1	0	359.470	1.762	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2OCCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)[C@H]2C1	ZINC000298626229	990204112	/nfs/dbraw/zinc/20/41/12/990204112.db2.gz	VINMHMKSRRXSAF-HOTGVXAUSA-N	1	0	374.510	1.842	20	30		FDEDRO
CN1CCC([NH+]2CCC(CCNC(=O)C3(C#N)CCOCC3)CC2)CC1	ZINC000371080378	990232415	/nfs/dbraw/zinc/23/24/15/990232415.db2.gz	LGWCTXPDVTVJBI-UHFFFAOYSA-N	1	0	362.518	1.619	20	30		FDEDRO
CN1CC[NH+](C[C@H]2CCCN(CC(=O)NCc3ccc(C#N)cc3)C2)CC1	ZINC000371425693	990422492	/nfs/dbraw/zinc/42/24/92/990422492.db2.gz	UNUWRBHFFXVQRX-HXUWFJFHSA-N	1	0	369.513	1.134	20	30		FDEDRO
C[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)C(=O)NC1(C#N)CCCCC1	ZINC000371613383	990569909	/nfs/dbraw/zinc/56/99/09/990569909.db2.gz	FDLOFZXEQNGYCE-CVEARBPZSA-N	1	0	356.474	1.766	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1	ZINC000875058901	990803937	/nfs/dbraw/zinc/80/39/37/990803937.db2.gz	ZVBAESOSDUFGRX-SFHVURJKSA-N	1	0	371.481	1.094	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1	ZINC000875060859	990810836	/nfs/dbraw/zinc/81/08/36/990810836.db2.gz	SFOPPJGVWYNVGI-QZTJIDSGSA-N	1	0	357.454	1.094	20	30		FDEDRO
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN([C@H]2CCC[N@H+](C)C2)CC1	ZINC000371922715	990826834	/nfs/dbraw/zinc/82/68/34/990826834.db2.gz	GQSIKVFIFTZRRO-RBUKOAKNSA-N	1	0	356.470	1.484	20	30		FDEDRO
Cc1cc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)nn1-c1cccc(C#N)c1	ZINC000372373668	991055014	/nfs/dbraw/zinc/05/50/14/991055014.db2.gz	CZFVIFXYNSABAO-KRWDZBQOSA-N	1	0	350.426	2.364	20	30		FDEDRO
CN1CC[NH+](C2CCN(C(=O)NCc3ccc(C#N)cc3F)CC2)CC1	ZINC000875246688	991187124	/nfs/dbraw/zinc/18/71/24/991187124.db2.gz	UETZSZZELBXHBV-UHFFFAOYSA-N	1	0	359.449	1.619	20	30		FDEDRO
N#Cc1cccc(/C=C/C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c1	ZINC000372604591	991261308	/nfs/dbraw/zinc/26/13/08/991261308.db2.gz	CIBPNCTZTYCOHF-PXPVJAHISA-N	1	0	354.454	1.094	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+](CC=C)[C@H](C)c2cccc(-n3cnnn3)c2)C1=O	ZINC000410368139	991273445	/nfs/dbraw/zinc/27/34/45/991273445.db2.gz	LYVZQVNHIKMMFN-QAPCUYQASA-N	1	0	352.442	1.998	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1	ZINC000372627349	991279286	/nfs/dbraw/zinc/27/92/86/991279286.db2.gz	ZOKHAEJAPKVIDI-HKUYNNGSSA-N	1	0	370.497	1.954	20	30		FDEDRO
C=CCN1CC[C@H]([NH+]2CCC(C(=O)NCc3ccc(OC)cc3)CC2)C1=O	ZINC000410394822	991289936	/nfs/dbraw/zinc/28/99/36/991289936.db2.gz	GICMJNTXWPVFEK-IBGZPJMESA-N	1	0	371.481	1.810	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000875336444	991343507	/nfs/dbraw/zinc/34/35/07/991343507.db2.gz	RUHTUIOPAUCHPC-YTQUADARSA-N	1	0	371.481	1.168	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCC1CC[NH+](C(C)C)CC1	ZINC000875386994	991444369	/nfs/dbraw/zinc/44/43/69/991444369.db2.gz	WMGJLMLUCZFUBD-MSOLQXFVSA-N	1	0	365.518	1.711	20	30		FDEDRO
N#Cc1ncccc1S(=O)(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1	ZINC000372998991	991761888	/nfs/dbraw/zinc/76/18/88/991761888.db2.gz	REZWGCCYLDRMFQ-INIZCTEOSA-N	1	0	371.466	1.539	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC000875578838	991762517	/nfs/dbraw/zinc/76/25/17/991762517.db2.gz	NGSQRZTYAIHLNG-KRWDZBQOSA-N	1	0	356.474	1.659	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C	ZINC000875605060	991795136	/nfs/dbraw/zinc/79/51/36/991795136.db2.gz	VHLPGIOCMYDFEW-HKUYNNGSSA-N	1	0	371.481	1.264	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1	ZINC000875606282	991795763	/nfs/dbraw/zinc/79/57/63/991795763.db2.gz	RQORUNAEDNBVOF-MSOLQXFVSA-N	1	0	363.502	1.111	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1CC[C@](COC)(C(=O)OC(C)(C)C)C1	ZINC000875623548	991820547	/nfs/dbraw/zinc/82/05/47/991820547.db2.gz	SHWIJKXIKCROAV-IBGZPJMESA-N	1	0	367.490	1.331	20	30		FDEDRO
CCn1ncc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1	ZINC000875771897	991985658	/nfs/dbraw/zinc/98/56/58/991985658.db2.gz	FAAJJPQJEOUANY-UHFFFAOYSA-N	1	0	355.446	1.443	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CC[C@@](O)(C3CC3)C2)CC1	ZINC000373277768	992096879	/nfs/dbraw/zinc/09/68/79/992096879.db2.gz	IIMKXFWCHZBVJF-APWZRJJASA-N	1	0	374.510	1.304	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1	ZINC000876072616	992279419	/nfs/dbraw/zinc/27/94/19/992279419.db2.gz	YVBHQZSWINICMF-QYZOEREBSA-N	1	0	360.502	1.779	20	30		FDEDRO
Cn1cc(-c2cc(NC(=O)N(CCC#N)CCC[NH+](C)C)n(C)n2)cn1	ZINC000373913471	992517410	/nfs/dbraw/zinc/51/74/10/992517410.db2.gz	YQHHQUADDCGXRC-UHFFFAOYSA-N	1	0	358.450	1.520	20	30		FDEDRO
C#CC[C@@]1(C(=O)NC[C@@](C)(O)C[NH+](C)C)CCCN1C(=O)OC(C)(C)C	ZINC000373920202	992517626	/nfs/dbraw/zinc/51/76/26/992517626.db2.gz	JMJPJFJBPRGCMQ-MOPGFXCFSA-N	1	0	367.490	1.208	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CCO1	ZINC000876281428	992520920	/nfs/dbraw/zinc/52/09/20/992520920.db2.gz	ROUOUOIHQXMXLO-RTBURBONSA-N	1	0	356.470	1.778	20	30		FDEDRO
COC[C@]1(C[NH+](C)C)COCCN1C(=O)CSc1ccc(C#N)cc1	ZINC000876473817	992642072	/nfs/dbraw/zinc/64/20/72/992642072.db2.gz	ZQECOBBMDYSLND-GOSISDBHSA-N	1	0	363.483	1.456	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)cc1	ZINC000411932234	992715795	/nfs/dbraw/zinc/71/57/95/992715795.db2.gz	IPHJQGIRJTXWPS-INIZCTEOSA-N	1	0	372.469	1.742	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](CC)c1ccccc1OCC(=O)NC	ZINC000876593869	992727656	/nfs/dbraw/zinc/72/76/56/992727656.db2.gz	JIEFQKHFIKDYFI-UONOGXRCSA-N	1	0	353.850	1.849	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC[C@H](N2CCCCC2=O)C1	ZINC000876651794	992772817	/nfs/dbraw/zinc/77/28/17/992772817.db2.gz	ZXPZNRCVHAJNDC-FXAWDEMLSA-N	1	0	366.465	1.749	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(C)c(N2CCCS2(=O)=O)c1	ZINC000876676216	992787279	/nfs/dbraw/zinc/78/72/79/992787279.db2.gz	VKPGFKXYGQARTI-ZDUSSCGKSA-N	1	0	357.863	1.943	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CCNS(=O)(=O)c1ccc(C)cc1	ZINC000876685551	992794408	/nfs/dbraw/zinc/79/44/08/992794408.db2.gz	GUKFPMITEDZOEV-CQSZACIVSA-N	1	0	359.879	1.202	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O	ZINC000876697014	992804680	/nfs/dbraw/zinc/80/46/80/992804680.db2.gz	NZTYWDGSMIAKJI-GJZGRUSLSA-N	1	0	367.833	1.395	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1	ZINC000876713964	992821132	/nfs/dbraw/zinc/82/11/32/992821132.db2.gz	QZQQUKGWKOVYCT-FMKPAKJESA-N	1	0	370.925	1.105	20	30		FDEDRO
Cc1csc(N2CCN(C(=O)[C@@H]3[NH2+]CCc4cc(C#N)ccc43)CC2)n1	ZINC000876724235	992836681	/nfs/dbraw/zinc/83/66/81/992836681.db2.gz	QUAIXARSEZSSKW-QGZVFWFLSA-N	1	0	367.478	1.859	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cccc(CN2CCO[C@H](C)C2)c1	ZINC000876735674	992851435	/nfs/dbraw/zinc/85/14/35/992851435.db2.gz	BEHJTJURNBPJTF-PBHICJAKSA-N	1	0	351.878	1.993	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCCN(c2nccs2)CC1	ZINC000876736431	992853182	/nfs/dbraw/zinc/85/31/82/992853182.db2.gz	LALIDMYFKBRLAG-QGZVFWFLSA-N	1	0	367.478	1.940	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(Cc2cc(OC)cc(OC)c2)CC1	ZINC000876777424	992902644	/nfs/dbraw/zinc/90/26/44/992902644.db2.gz	MNUSIJZAZPQJIR-KRWDZBQOSA-N	1	0	367.877	1.818	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1	ZINC000876777659	992902775	/nfs/dbraw/zinc/90/27/75/992902775.db2.gz	TWNDTWNRZSPRQD-CHWSQXEVSA-N	1	0	371.869	1.281	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N[C@H](C)C(=O)NCC[NH+]2CCCCC2)cc1	ZINC000412318563	992906963	/nfs/dbraw/zinc/90/69/63/992906963.db2.gz	GHWKVFZRRVJPCL-QGZVFWFLSA-N	1	0	373.497	1.901	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CC[NH2+]CC2(C)C)s1	ZINC000876869241	992942424	/nfs/dbraw/zinc/94/24/24/992942424.db2.gz	DALUCKFHAIVPMZ-CYBMUJFWSA-N	1	0	371.528	1.259	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N(Cc1cccnc1)[C@H]1CCS(=O)(=O)C1	ZINC000876873587	992943886	/nfs/dbraw/zinc/94/38/86/992943886.db2.gz	KTEITJHECPRSHI-UONOGXRCSA-N	1	0	357.863	1.067	20	30		FDEDRO
CCN(CCC#N)C(=O)CN(C)[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1	ZINC000374891032	992964922	/nfs/dbraw/zinc/96/49/22/992964922.db2.gz	FPSPBCRNTPEUCC-AZUAARDMSA-N	1	0	372.513	1.970	20	30		FDEDRO
N#Cc1cnc(Cl)c(C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c1	ZINC000876963046	992986634	/nfs/dbraw/zinc/98/66/34/992986634.db2.gz	YQTHBIMDASKVEJ-INIZCTEOSA-N	1	0	352.891	1.904	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cccc(OCCCC#N)c3)C[C@H]21	ZINC000375047170	992988014	/nfs/dbraw/zinc/98/80/14/992988014.db2.gz	CAEOSDFKWZJPLK-MAUKXSAKSA-N	1	0	370.453	1.860	20	30		FDEDRO
N#Cc1cnc(Cl)c(C[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)c1	ZINC000876969924	992989678	/nfs/dbraw/zinc/98/96/78/992989678.db2.gz	DOBPTEVVSHLZMU-ZDUSSCGKSA-N	1	0	361.785	1.865	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC(N2CCOC2=O)CC1	ZINC000876975184	992991892	/nfs/dbraw/zinc/99/18/92/992991892.db2.gz	BTXDGCKGJFXCEE-KRWDZBQOSA-N	1	0	354.410	1.188	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1	ZINC000876976308	992992922	/nfs/dbraw/zinc/99/29/22/992992922.db2.gz	NRBROOZBNXLIFV-SJORKVTESA-N	1	0	350.894	1.389	20	30		FDEDRO
COCC[C@@H]1CCCC[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1	ZINC000375105457	992995304	/nfs/dbraw/zinc/99/53/04/992995304.db2.gz	MFUNHBDKQKXKOM-RBUKOAKNSA-N	1	0	364.534	1.817	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCO[C@@H](c2ccc(S(C)(=O)=O)cc2)C1	ZINC000876992721	992997942	/nfs/dbraw/zinc/99/79/42/992997942.db2.gz	ILHWUIZWSNYNSS-LSDHHAIUSA-N	1	0	372.874	1.460	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CN(Cc2ccc(C)cc2)CCO1	ZINC000877248138	993145047	/nfs/dbraw/zinc/14/50/47/993145047.db2.gz	GTFRMACHEGYUIG-IRXDYDNUSA-N	1	0	351.878	1.782	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)s1	ZINC000877273844	993168267	/nfs/dbraw/zinc/16/82/67/993168267.db2.gz	RMFCQCIUBQZZRH-KBPBESRZSA-N	1	0	369.512	1.108	20	30		FDEDRO
COc1cccc([C@@H](CNC(=O)[C@@H](C)n2cnc(C#N)n2)[NH+]2CCCC2)c1	ZINC000466938028	993250492	/nfs/dbraw/zinc/25/04/92/993250492.db2.gz	KKVFFSNAWDHKSV-RHSMWYFYSA-N	1	0	368.441	1.673	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1CN1CC[NH+]([C@H]2CCNC(=O)CC2)CC1	ZINC000877573608	993350851	/nfs/dbraw/zinc/35/08/51/993350851.db2.gz	RJYMCVDQCPJMTR-GOSISDBHSA-N	1	0	355.486	1.411	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1	ZINC000878686892	994119305	/nfs/dbraw/zinc/11/93/05/994119305.db2.gz	HDTCDBXNQUIAJH-MJGOQNOKSA-N	1	0	370.453	1.059	20	30		FDEDRO
Cc1ncc(CNC(=O)CC[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)s1	ZINC000878802163	994243229	/nfs/dbraw/zinc/24/32/29/994243229.db2.gz	BOZASDYVZLCIFO-KRWDZBQOSA-N	1	0	358.467	1.995	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCC2CC(NC(=O)OC(C)(C)C)C2)CC1	ZINC000923981757	994308444	/nfs/dbraw/zinc/30/84/44/994308444.db2.gz	MLIKZFNGZZEUOL-UHFFFAOYSA-N	1	0	364.490	1.687	20	30		FDEDRO
C[C@@H](CC(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OCC#N)cc1	ZINC001110893397	994599311	/nfs/dbraw/zinc/59/93/11/994599311.db2.gz	HSSGRWYXOIWYJH-NZPGVSJUSA-N	1	0	370.453	1.322	20	30		FDEDRO
Cc1ccc(C#N)cc1C(=O)OCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1	ZINC000924398297	994618049	/nfs/dbraw/zinc/61/80/49/994618049.db2.gz	WRUMNJVNTIQJHG-KRWDZBQOSA-N	1	0	373.453	1.497	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1	ZINC000879212701	994641871	/nfs/dbraw/zinc/64/18/71/994641871.db2.gz	OSOXZPAJTSPGKV-HZSPNIEDSA-N	1	0	368.478	1.479	20	30		FDEDRO
CO[C@@H]1C[C@H]2C[N@H+](CCC(=O)N(C)CCC#N)Cc3cccnc3N2C1	ZINC000879268826	994717032	/nfs/dbraw/zinc/71/70/32/994717032.db2.gz	GZDZGSYSCGIIMU-DLBZAZTESA-N	1	0	357.458	1.253	20	30		FDEDRO
CN(C)c1cc[nH+]c(CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1	ZINC000924671927	994923452	/nfs/dbraw/zinc/92/34/52/994923452.db2.gz	RVDBPENGDOBHKD-KRWDZBQOSA-N	1	0	366.425	1.777	20	30		FDEDRO
CN(C)c1cc[nH+]c(CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1	ZINC000924671610	994923490	/nfs/dbraw/zinc/92/34/90/994923490.db2.gz	BVWPBEGSSYZAMY-UHFFFAOYSA-N	1	0	365.441	1.446	20	30		FDEDRO
COc1ccc([C@H]2CN(C[C@@H](O)COc3ccc(C#N)cc3)CC[NH2+]2)cc1	ZINC000879519193	994972370	/nfs/dbraw/zinc/97/23/70/994972370.db2.gz	OOVWMRARJYOERJ-WIYYLYMNSA-N	1	0	367.449	1.953	20	30		FDEDRO
C=CC[C@]1(C(=O)NCC[N@H+](C)CCO)CCCN1C(=O)OC(C)(C)C	ZINC000925001599	995228170	/nfs/dbraw/zinc/22/81/70/995228170.db2.gz	OSBSHEFCUOZOJA-GOSISDBHSA-N	1	0	355.479	1.373	20	30		FDEDRO
C=CCN1C(=O)N(C2CC[NH+](CCO)CC2)C(=O)[C@@H]1Cc1ccccc1	ZINC000925302880	995470770	/nfs/dbraw/zinc/47/07/70/995470770.db2.gz	JOKDGQQSJLVUDW-SFHVURJKSA-N	1	0	357.454	1.505	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](C(C)(C)O)C2)CC1	ZINC000879963829	995476954	/nfs/dbraw/zinc/47/69/54/995476954.db2.gz	PVTPDJKZHJVHSQ-SJORKVTESA-N	1	0	350.507	1.162	20	30		FDEDRO
C=CCN1C(=O)N(CC[N@@H+]2CCCOCC2)C(=O)[C@H]1Cc1ccccc1	ZINC000925340535	995512461	/nfs/dbraw/zinc/51/24/61/995512461.db2.gz	JMLGHKYETNEKER-GOSISDBHSA-N	1	0	357.454	1.770	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2[C@H]1CCN2CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000880138247	995675010	/nfs/dbraw/zinc/67/50/10/995675010.db2.gz	TVEHMPLYGTWFRA-QZTJIDSGSA-N	1	0	364.453	1.851	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](N3CCC[C@@H]([NH2+]C4CCOCC4)C3)C2=O)cc1	ZINC000880205612	995721640	/nfs/dbraw/zinc/72/16/40/995721640.db2.gz	QOXDVJBAMBDFLC-QUCCMNQESA-N	1	0	368.481	1.897	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1	ZINC000880250660	995754459	/nfs/dbraw/zinc/75/44/59/995754459.db2.gz	RJHMQSNOSAPPNG-QGZVFWFLSA-N	1	0	362.518	1.381	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(C#N)cn2)[C@H](C)C1	ZINC000780469335	995804954	/nfs/dbraw/zinc/80/49/54/995804954.db2.gz	WOTYKHSQGGJJMC-CRAIPNDOSA-N	1	0	359.474	1.889	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@H]([NH3+])C(C)(C)C2)cc1	ZINC000925945735	995847743	/nfs/dbraw/zinc/84/77/43/995847743.db2.gz	BIOMZMPSHMPGAA-HNNXBMFYSA-N	1	0	366.487	1.694	20	30		FDEDRO
C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O	ZINC000926143252	995935306	/nfs/dbraw/zinc/93/53/06/995935306.db2.gz	NEZNDAKURZSMGV-MYLBCWQPSA-N	1	0	350.503	1.954	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ncc(C#N)cc1Cl)C2	ZINC000926168899	995954170	/nfs/dbraw/zinc/95/41/70/995954170.db2.gz	HTRASCPKBPNOFA-DEICHXMPSA-N	1	0	362.861	1.816	20	30		FDEDRO
C=CCCN(OCc1ccccc1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1	ZINC000926359813	996085755	/nfs/dbraw/zinc/08/57/55/996085755.db2.gz	HNWUHURJBKUMDJ-ZWKOTPCHSA-N	1	0	357.454	1.733	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1	ZINC000926643566	996250479	/nfs/dbraw/zinc/25/04/79/996250479.db2.gz	BUYFOMZIAWZXPP-QRVBRYPASA-N	1	0	372.469	1.435	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)Nc2cccc(S(C)(=O)=O)c2)CCOCC1	ZINC000887125719	996955105	/nfs/dbraw/zinc/95/51/05/996955105.db2.gz	GTGRFCCHVFBDIY-UHFFFAOYSA-N	1	0	350.440	1.191	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(C(=O)C[C@]23CCCC[C@H]2C3(F)F)CC1	ZINC000826549380	997020475	/nfs/dbraw/zinc/02/04/75/997020475.db2.gz	FONRPQKDLYGRBF-CRAIPNDOSA-N	1	0	367.440	1.486	20	30		FDEDRO
C=C1CC(C)(C(=O)N2CCOC3(CN(C(=O)[C@@H]4C[C@H]4c4c[nH]cn4)C3)C2)C1	ZINC000965481897	1016110700	/nfs/dbraw/zinc/11/07/00/1016110700.db2.gz	KOEWEBRQFRAQSO-HUUCEWRRSA-N	1	0	370.453	1.309	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(OC)c(-n3nnnc3C)c2)CC1	ZINC000263981370	997371020	/nfs/dbraw/zinc/37/10/20/997371020.db2.gz	KWBSHOCXIORDQQ-UHFFFAOYSA-N	1	0	354.414	1.263	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccccc2-n2ccnc2)CC1	ZINC000264116423	997405236	/nfs/dbraw/zinc/40/52/36/997405236.db2.gz	SSTSVYHGBCBDMT-UHFFFAOYSA-N	1	0	370.457	1.898	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(N3CCOCC3)nc2)CC1	ZINC000264371690	997484233	/nfs/dbraw/zinc/48/42/33/997484233.db2.gz	JGWFLHWMHMTTHI-UHFFFAOYSA-N	1	0	373.501	1.758	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccc(OCC(=O)NC)c(OC)c2)CC1	ZINC000264464055	997519775	/nfs/dbraw/zinc/51/97/75/997519775.db2.gz	GWBRNWIRYTYTHL-UHFFFAOYSA-N	1	0	361.442	1.200	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000264498151	997525033	/nfs/dbraw/zinc/52/50/33/997525033.db2.gz	FXQVQHXNUWZQQN-QFBILLFUSA-N	1	0	373.497	1.981	20	30		FDEDRO
CCCC[NH+]1CCC(NC(=O)NCCNC(=O)C2N=CC=CC2=O)CC1	ZINC000264792156	997611213	/nfs/dbraw/zinc/61/12/13/997611213.db2.gz	ROZFHVATPJQTLR-MSUUIHNZSA-N	1	0	363.462	1.077	20	30		FDEDRO
C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCNC(=O)C2N=CC=CC2=O)C1	ZINC000265038085	997679572	/nfs/dbraw/zinc/67/95/72/997679572.db2.gz	MJRKPOUEMSLIGA-DNZUHHBVSA-N	1	0	362.474	1.530	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000265043635	997681250	/nfs/dbraw/zinc/68/12/50/997681250.db2.gz	NBVLVRGQYPVMSF-JVMRMLDLSA-N	1	0	368.437	1.294	20	30		FDEDRO
C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CCNC(=O)C2N=CC=CC2=O)C1	ZINC000265064620	997687869	/nfs/dbraw/zinc/68/78/69/997687869.db2.gz	UEMGXTCYDPSCMJ-PSEQUABUSA-N	1	0	362.474	1.387	20	30		FDEDRO
CCCC(=O)Nc1cccc(CNC(=[NH2+])NCCCN2CCOCC2)c1	ZINC000104170547	998313765	/nfs/dbraw/zinc/31/37/65/998313765.db2.gz	KBHKPUHLEYTPNM-UHFFFAOYSA-N	1	0	361.490	1.552	20	30		FDEDRO
N#Cc1ccc(CSCC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cc1	ZINC000889773762	998640432	/nfs/dbraw/zinc/64/04/32/998640432.db2.gz	DKISSQAYBDMNER-QZTJIDSGSA-N	1	0	359.495	1.849	20	30		FDEDRO
C[C@@H]1CCC[C@](CNC(=O)C(=O)Nc2cccc(CC#N)n2)([NH+](C)C)C1	ZINC000889860500	998709628	/nfs/dbraw/zinc/70/96/28/998709628.db2.gz	PGJJJHWMPABFEX-KUHUBIRLSA-N	1	0	357.458	1.713	20	30		FDEDRO
C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1cccc(CC#N)n1	ZINC000889873264	998715320	/nfs/dbraw/zinc/71/53/20/998715320.db2.gz	YOFYOZDUUYAMNN-ZNMIVQPWSA-N	1	0	357.458	1.569	20	30		FDEDRO
CC1CCC([NH+]2CCN(C(=O)C(=O)Nc3cccc(CC#N)n3)CC2)CC1	ZINC000889930617	998730970	/nfs/dbraw/zinc/73/09/70/998730970.db2.gz	SQBMCQPWHDBKJI-UHFFFAOYSA-N	1	0	369.469	1.809	20	30		FDEDRO
C=CCN(C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H](C)COC	ZINC000890129986	998831677	/nfs/dbraw/zinc/83/16/77/998831677.db2.gz	HFUOGUKRTCPAPH-ZWKOTPCHSA-N	1	0	368.522	1.016	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)N[C@](C)(CO)Cc2ccccc2OC)C1	ZINC000890361381	998913239	/nfs/dbraw/zinc/91/32/39/998913239.db2.gz	POAXYUAXFGCHHV-PXNSSMCTSA-N	1	0	359.470	1.386	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1	ZINC000890363094	998914071	/nfs/dbraw/zinc/91/40/71/998914071.db2.gz	KICWQPLQKKJRRE-PMACEKPBSA-N	1	0	370.497	1.150	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)N[C@H](C[NH+](C)C)c2ccc(OC)cc2)C1	ZINC000890364616	998914947	/nfs/dbraw/zinc/91/49/47/998914947.db2.gz	DXBOGDDKXLZNTO-PKOBYXMFSA-N	1	0	358.486	1.695	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)n1	ZINC000890379920	998922682	/nfs/dbraw/zinc/92/26/82/998922682.db2.gz	IYVVOZOZNWULAF-OAHLLOKOSA-N	1	0	355.442	1.609	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(C(=O)OCCn3ncc(C#N)c3N)cc2)CC1	ZINC000777316759	999004097	/nfs/dbraw/zinc/00/40/97/999004097.db2.gz	GLYAQNFHZAOZLU-UHFFFAOYSA-N	1	0	368.441	1.336	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc3[nH]c(C)nc31)C2	ZINC001110837962	999009133	/nfs/dbraw/zinc/00/91/33/999009133.db2.gz	IVGBXFMYLNYLOI-BMFZPTHFSA-N	1	0	355.442	1.804	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CCOC2CN(C(=O)OC(C)(C)C)C2)CC1	ZINC000777389408	999055835	/nfs/dbraw/zinc/05/58/35/999055835.db2.gz	QWROQHVMZJCNOO-UHFFFAOYSA-N	1	0	367.490	1.779	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](O)COCCOC)cc1	ZINC001110883397	999110667	/nfs/dbraw/zinc/11/06/67/999110667.db2.gz	CXUINMBZSAVCFC-WCIQWLHISA-N	1	0	372.465	1.027	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(C#N)cc2)Cc2ccccc2C1	ZINC000266580004	999192708	/nfs/dbraw/zinc/19/27/08/999192708.db2.gz	AWQZCUFUFGWQQZ-UHFFFAOYSA-N	1	0	362.433	1.712	20	30		FDEDRO
CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)C1	ZINC000266654088	999210085	/nfs/dbraw/zinc/21/00/85/999210085.db2.gz	XATYUSQRDBJBQD-OAHLLOKOSA-N	1	0	358.442	1.718	20	30		FDEDRO
CN(C)c1ccc(CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)cn1	ZINC000268070096	999423152	/nfs/dbraw/zinc/42/31/52/999423152.db2.gz	JNILDAHHLDEJHR-HNNXBMFYSA-N	1	0	374.489	1.528	20	30		FDEDRO
C#CCN(CC)C(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1	ZINC000269130768	999463675	/nfs/dbraw/zinc/46/36/75/999463675.db2.gz	VKZBPWMXIMTZDI-UHFFFAOYSA-N	1	0	357.454	1.972	20	30		FDEDRO
[NH2+]=C(NCC1(Cc2ccccc2)CC1)N1CCN(c2ncccn2)CC1	ZINC000269384883	999467059	/nfs/dbraw/zinc/46/70/59/999467059.db2.gz	QLGTWPKYKRKKNN-UHFFFAOYSA-N	1	0	350.470	1.936	20	30		FDEDRO
C[NH+](C)C[C@](C)(O)CNC(=O)CCC(=O)N(CCC#N)c1ccccc1	ZINC000269882809	999480437	/nfs/dbraw/zinc/48/04/37/999480437.db2.gz	IWYFZFFOVQONMU-LJQANCHMSA-N	1	0	360.458	1.142	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCc2n[nH]cc2C1	ZINC000270292319	999535547	/nfs/dbraw/zinc/53/55/47/999535547.db2.gz	ZSXAIBWVVLLVRM-QGZVFWFLSA-N	1	0	351.454	1.977	20	30		FDEDRO
C[C@@H](CN1CCOCC1)[N@H+](CCC(=O)N(C)CCC#N)Cc1ccccc1	ZINC000270554821	999576787	/nfs/dbraw/zinc/57/67/87/999576787.db2.gz	CNUWYMQPHZWPOJ-IBGZPJMESA-N	1	0	372.513	1.971	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)nn1CCC#N	ZINC000271065753	999655572	/nfs/dbraw/zinc/65/55/72/999655572.db2.gz	MOCCXDSSIIKXPZ-UHFFFAOYSA-N	1	0	358.446	1.131	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CCCCC1	ZINC000271585515	999714867	/nfs/dbraw/zinc/71/48/67/999714867.db2.gz	SXNMAZHEWQXALR-UHFFFAOYSA-N	1	0	374.489	1.829	20	30		FDEDRO
CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)C[C@H](O)c1ccc(C#N)cc1	ZINC000273905067	999732531	/nfs/dbraw/zinc/73/25/31/999732531.db2.gz	YFEFPLWZQWJZEC-SJORKVTESA-N	1	0	360.458	1.074	20	30		FDEDRO
C=C(C)Cn1c(N2CC[NH+](CCC(=O)N(C)C)CC2)nnc1C(C)(C)C	ZINC000283467090	999754672	/nfs/dbraw/zinc/75/46/72/999754672.db2.gz	AYZDIRUJTDHZCK-UHFFFAOYSA-N	1	0	362.522	1.752	20	30		FDEDRO
N#Cc1ccnc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)c1	ZINC000283588869	999757687	/nfs/dbraw/zinc/75/76/87/999757687.db2.gz	XOUYCWSYOPJJTL-HKUYNNGSSA-N	1	0	350.422	1.566	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1	ZINC000284077073	999776254	/nfs/dbraw/zinc/77/62/54/999776254.db2.gz	RHMUXEOTXNZKFO-INIZCTEOSA-N	1	0	359.470	1.858	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NCCCn1cccn1)C(C)C	ZINC000284211699	999780361	/nfs/dbraw/zinc/78/03/61/999780361.db2.gz	XTMYWEOHOOERLO-QGZVFWFLSA-N	1	0	361.490	1.204	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C	ZINC000284363390	999816552	/nfs/dbraw/zinc/81/65/52/999816552.db2.gz	LHRUZRVNLNRNRK-HNNXBMFYSA-N	1	0	363.458	1.457	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(N(CC)CC)nc2)CC1	ZINC000284544845	999849115	/nfs/dbraw/zinc/84/91/15/999849115.db2.gz	SMEOGVHCIZNAFK-UHFFFAOYSA-N	1	0	373.501	1.311	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1	ZINC000284581567	999852415	/nfs/dbraw/zinc/85/24/15/999852415.db2.gz	VKKBHKGZRPCXAK-HOTGVXAUSA-N	1	0	359.470	1.556	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1	ZINC000284942031	999885634	/nfs/dbraw/zinc/88/56/34/999885634.db2.gz	JKVSOTLCJGIZOP-ZWKOTPCHSA-N	1	0	359.470	1.332	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc2c(c1F)CCNC2=O	ZINC000285025759	999895590	/nfs/dbraw/zinc/89/55/90/999895590.db2.gz	VDNRXDGCBMSYBD-UHFFFAOYSA-N	1	0	361.421	1.811	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000286106523	999939192	/nfs/dbraw/zinc/93/91/92/999939192.db2.gz	UFJHOEGNAZIPON-ICSRJNTNSA-N	1	0	356.514	1.569	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)Oc2cccc(F)c2)CC1	ZINC000286495042	999944951	/nfs/dbraw/zinc/94/49/51/999944951.db2.gz	KBOYSPDIDPASJE-CQSZACIVSA-N	1	0	363.433	1.476	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2c2cccn2C)CC1	ZINC000286702194	999946919	/nfs/dbraw/zinc/94/69/19/999946919.db2.gz	QAVVBZGYULXGQY-SFHVURJKSA-N	1	0	358.486	1.845	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)CC1	ZINC000286729634	999947766	/nfs/dbraw/zinc/94/77/66/999947766.db2.gz	RKJDSYMQKDWXNP-KRWDZBQOSA-N	1	0	373.501	1.847	20	30		FDEDRO
C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1	ZINC000286814316	999951128	/nfs/dbraw/zinc/95/11/28/999951128.db2.gz	XBADINHGWPOOFF-ICSRJNTNSA-N	1	0	356.514	1.804	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CCO1	ZINC000287883972	999969302	/nfs/dbraw/zinc/96/93/02/999969302.db2.gz	DTXQWOLVXBBFTI-CRAIPNDOSA-N	1	0	372.469	1.132	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1	ZINC000288199846	999996243	/nfs/dbraw/zinc/99/62/43/999996243.db2.gz	PJPQCXOMKNMXHY-CRAIPNDOSA-N	1	0	355.438	1.722	20	30		FDEDRO
C[C@@H]1[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)CC[N@@H+]1Cc1ccccc1	ZINC000288210380	999996967	/nfs/dbraw/zinc/99/69/67/999996967.db2.gz	LLHPVESBDIRIKR-CZUORRHYSA-N	1	0	353.426	1.031	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000289332414	1000091188	/nfs/dbraw/zinc/09/11/88/1000091188.db2.gz	CZHNXABENCMVSF-LJQANCHMSA-N	1	0	373.497	1.676	20	30		FDEDRO
CN1CC[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)[C@@H]1c1ccccc1	ZINC000289478391	1000101679	/nfs/dbraw/zinc/10/16/79/1000101679.db2.gz	XSLHVGPBFJRIEG-HKUYNNGSSA-N	1	0	370.478	1.762	20	30		FDEDRO
C=CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000289792412	1000119629	/nfs/dbraw/zinc/11/96/29/1000119629.db2.gz	UHSWVZSVNCJHEF-MRXNPFEDSA-N	1	0	369.473	1.202	20	30		FDEDRO
C#CCN(CC)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C	ZINC000290324821	1000132241	/nfs/dbraw/zinc/13/22/41/1000132241.db2.gz	ZXJNLUDUCRNIGZ-UHFFFAOYSA-N	1	0	352.486	1.639	20	30		FDEDRO
C=CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C	ZINC000290329603	1000132684	/nfs/dbraw/zinc/13/26/84/1000132684.db2.gz	IUQXUKXWOJRXIP-CVEARBPZSA-N	1	0	360.506	1.867	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC(=O)N(c3ccccc3F)C2)CC1	ZINC000291296235	1000180174	/nfs/dbraw/zinc/18/01/74/1000180174.db2.gz	RROPZPBGLONWOT-OAHLLOKOSA-N	1	0	360.433	1.881	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CCN(CC(=O)Nc3ccccc3C(N)=O)C2)nc1	ZINC000292105769	1000210061	/nfs/dbraw/zinc/21/00/61/1000210061.db2.gz	GUISDXFZXHARKK-AWEZNQCLSA-N	1	0	365.393	1.144	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cnc(N4CCOCC4)s3)C2)nc1	ZINC000292696335	1000247771	/nfs/dbraw/zinc/24/77/71/1000247771.db2.gz	BXEKESXZEGWBDQ-HNNXBMFYSA-N	1	0	371.466	1.900	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)cc21	ZINC000927800810	1001060014	/nfs/dbraw/zinc/06/00/14/1001060014.db2.gz	MZVOVDBLEMGRSK-HOCLYGCPSA-N	1	0	353.426	1.371	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)cc21	ZINC000927800809	1001060047	/nfs/dbraw/zinc/06/00/47/1001060047.db2.gz	MZVOVDBLEMGRSK-GOEBONIOSA-N	1	0	353.426	1.371	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc21	ZINC000927800811	1001060158	/nfs/dbraw/zinc/06/01/58/1001060158.db2.gz	MZVOVDBLEMGRSK-ZBFHGGJFSA-N	1	0	353.426	1.371	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CCC([NH3+])(CC)CC3)cc21	ZINC000927806460	1001066703	/nfs/dbraw/zinc/06/67/03/1001066703.db2.gz	DTKMQEUEECKROY-UHFFFAOYSA-N	1	0	355.442	1.891	20	30		FDEDRO
C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000927823474	1001083767	/nfs/dbraw/zinc/08/37/67/1001083767.db2.gz	FITMEXTUIXYBMQ-ZYHUDNBSSA-N	1	0	368.359	1.877	20	30		FDEDRO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1	ZINC000927896260	1001201712	/nfs/dbraw/zinc/20/17/12/1001201712.db2.gz	HXGSSNVXHMNCEF-BFHYXJOUSA-N	1	0	360.483	1.930	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)N2CCC(O)CC2)CC1	ZINC000928654014	1001610315	/nfs/dbraw/zinc/61/03/15/1001610315.db2.gz	KGCSQTXTKJQBIE-FQEVSTJZSA-N	1	0	355.482	1.398	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2Cc3cc(Br)ccc3O2)CC1	ZINC000928653303	1001610477	/nfs/dbraw/zinc/61/04/77/1001610477.db2.gz	HQUXUUMVRXMQFV-MRXNPFEDSA-N	1	0	363.255	1.966	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C[C@H]2COCCN2C(=O)OC(C)(C)C)CC1	ZINC000928653298	1001610595	/nfs/dbraw/zinc/61/05/95/1001610595.db2.gz	HJCODWWWOVOMGM-INIZCTEOSA-N	1	0	365.474	1.226	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)CC1	ZINC000928658322	1001614036	/nfs/dbraw/zinc/61/40/36/1001614036.db2.gz	FTKDUDWSZWSNCZ-UHFFFAOYSA-N	1	0	363.483	1.201	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CCn2cnc3sc(C)c(C)c3c2=O)CC1	ZINC000928659061	1001614610	/nfs/dbraw/zinc/61/46/10/1001614610.db2.gz	DWGCALFQKWVKHK-UHFFFAOYSA-N	1	0	372.494	1.679	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)CC1	ZINC000928658988	1001614782	/nfs/dbraw/zinc/61/47/82/1001614782.db2.gz	ARDOXIOOAPHXPZ-UHFFFAOYSA-N	1	0	358.833	1.207	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(SC)cc3)C2)CC1	ZINC000928659617	1001615250	/nfs/dbraw/zinc/61/52/50/1001615250.db2.gz	ULDZUJQJGZGASL-HNNXBMFYSA-N	1	0	371.506	1.975	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCCN(c3cnc(C#N)cn3)C2)CC[N@@H+]1C	ZINC001110963366	1001793993	/nfs/dbraw/zinc/79/39/93/1001793993.db2.gz	ABFLSFHGYKITKM-OGWOLHLISA-N	1	0	356.474	1.411	20	30		FDEDRO
CC1CC[NH+](CCCNC(=O)C(=O)N(C)Cc2cc(C#N)cs2)CC1	ZINC000929244646	1001849894	/nfs/dbraw/zinc/84/98/94/1001849894.db2.gz	KYIBWGGEVIXELW-UHFFFAOYSA-N	1	0	362.499	1.816	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1ccccc1COC)C1CC[NH+](C)CC1	ZINC000929394569	1001995813	/nfs/dbraw/zinc/99/58/13/1001995813.db2.gz	ULDOYDMLDMBAJL-UHFFFAOYSA-N	1	0	357.454	1.005	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)C2	ZINC001111273692	1002134618	/nfs/dbraw/zinc/13/46/18/1002134618.db2.gz	ZJDUFEDPHRGVQD-BHPKHCPMSA-N	1	0	356.430	1.107	20	30		FDEDRO
Cn1cc(C2=NC[C@H](C[NH+]3CCC(Oc4cccc(C#N)c4)CC3)O2)cn1	ZINC000929524858	1002165146	/nfs/dbraw/zinc/16/51/46/1002165146.db2.gz	ORAICUMRBOMQBN-LJQANCHMSA-N	1	0	365.437	1.981	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CC(=O)NC2CC2)CC1	ZINC000948385732	1002292280	/nfs/dbraw/zinc/29/22/80/1002292280.db2.gz	OZDUZCPGMBTTIR-KURKYZTESA-N	1	0	363.502	1.559	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2	ZINC000948454213	1002358838	/nfs/dbraw/zinc/35/88/38/1002358838.db2.gz	GUWRCHCEDXWIKN-CZUORRHYSA-N	1	0	355.442	1.091	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1	ZINC000948475819	1002381353	/nfs/dbraw/zinc/38/13/53/1002381353.db2.gz	WOKWNDVKUXLSGF-MSOLQXFVSA-N	1	0	363.502	1.417	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)Cc2cc(C#N)cs2)C1	ZINC000929793915	1002450342	/nfs/dbraw/zinc/45/03/42/1002450342.db2.gz	YFSCGFGFULXZLK-AWEZNQCLSA-N	1	0	362.499	1.815	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCC(C)(C)c1ccccc1C)C1CC[NH+](C)CC1	ZINC000929805219	1002475079	/nfs/dbraw/zinc/47/50/79/1002475079.db2.gz	CEWCHOIGDRJWTQ-UHFFFAOYSA-N	1	0	369.509	1.945	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1cccc2cccnc21)C1CC[NH+](C)CC1	ZINC000929854068	1002518755	/nfs/dbraw/zinc/51/87/55/1002518755.db2.gz	KTTLNXBTBMOUKN-UHFFFAOYSA-N	1	0	364.449	1.407	20	30		FDEDRO
Cc1c(NC(=O)NCC#CC[NH+](C)C)cccc1C(=O)N1CCOCC1	ZINC000929922639	1002600757	/nfs/dbraw/zinc/60/07/57/1002600757.db2.gz	GEVUWKZEIVDMGP-UHFFFAOYSA-N	1	0	358.442	1.154	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc3c(c2)C[C@H](C)O3)CC1	ZINC000930007001	1002729754	/nfs/dbraw/zinc/72/97/54/1002729754.db2.gz	KTZWSJLHMZAXEV-AWEZNQCLSA-N	1	0	357.454	1.393	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCC[C@@H]2CCC(C)(C)CO2)CC1	ZINC000930007679	1002730603	/nfs/dbraw/zinc/73/06/03/1002730603.db2.gz	VUGXSCOVTFRYOH-INIZCTEOSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2ccc3ncccc3c2)CC1	ZINC000930007899	1002731088	/nfs/dbraw/zinc/73/10/88/1002731088.db2.gz	ZXJSQPSIPTVYBH-UHFFFAOYSA-N	1	0	366.465	1.660	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C2CC2)[C@@H]2CCCOC2)CC1	ZINC000930011147	1002733987	/nfs/dbraw/zinc/73/39/87/1002733987.db2.gz	XPWZHDXQPYAODG-AEFFLSMTSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CCn2cncn2)CC1	ZINC000948852167	1002759098	/nfs/dbraw/zinc/75/90/98/1002759098.db2.gz	JETYPAOAYSCUDX-SQNIBIBYSA-N	1	0	361.490	1.572	20	30		FDEDRO
C#CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC000948929740	1002834554	/nfs/dbraw/zinc/83/45/54/1002834554.db2.gz	RYHDFIXTLWXZNQ-LSTHTHJFSA-N	1	0	355.482	1.444	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H]1CCCC[C@@H]1SCC)C1CC[NH+](C)CC1	ZINC000930251734	1002971049	/nfs/dbraw/zinc/97/10/49/1002971049.db2.gz	VLJNSIXOSJZLET-IRXDYDNUSA-N	1	0	365.543	1.723	20	30		FDEDRO
Cn1cc(C=NNC(=S)NCCC[NH+](C)C)c(-c2ccc(C#N)cc2)n1	ZINC000777886199	1003007849	/nfs/dbraw/zinc/00/78/49/1003007849.db2.gz	RJRHSUDFWGQHGM-UHFFFAOYSA-N	1	0	369.498	1.708	20	30		FDEDRO
CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1ccnn1C)CCO2	ZINC000949148043	1003038557	/nfs/dbraw/zinc/03/85/57/1003038557.db2.gz	RNPZLWWGFWFNON-IAGOWNOFSA-N	1	0	356.470	1.240	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1	ZINC000949183579	1003066416	/nfs/dbraw/zinc/06/64/16/1003066416.db2.gz	MNVVPZGRHAJPKP-BZSNNMDCSA-N	1	0	365.518	1.663	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)cc1C#N	ZINC000930549364	1003258312	/nfs/dbraw/zinc/25/83/12/1003258312.db2.gz	OPXXLVMWJFDCMW-UHFFFAOYSA-N	1	0	358.442	1.031	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1	ZINC000949362081	1003259341	/nfs/dbraw/zinc/25/93/41/1003259341.db2.gz	VXZIFBPZBYEIQE-TZMCWYRMSA-N	1	0	353.894	1.824	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)C[N@H+](C[C@@H](CC)OC)CCO2	ZINC000949476643	1003378986	/nfs/dbraw/zinc/37/89/86/1003378986.db2.gz	ADJXDWPCRJSHMU-KURKYZTESA-N	1	0	366.502	1.696	20	30		FDEDRO
N#CC[C@]1(O)CC[N@H+](C[C@]2(O)CCCN(C(=O)OCc3ccccc3)C2)C1	ZINC000930819444	1003545233	/nfs/dbraw/zinc/54/52/33/1003545233.db2.gz	WHRNQMAHDCENQE-VQTJNVASSA-N	1	0	373.453	1.501	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCC2(Nc3ccc(C#N)nc3)CCOCC2)CC[N@@H+]1C	ZINC001111004811	1003920349	/nfs/dbraw/zinc/92/03/49/1003920349.db2.gz	KWHOKQZWTDTOOC-ZWKOTPCHSA-N	1	0	371.485	1.761	20	30		FDEDRO
C#CC1(O)CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)CC1	ZINC000931144424	1003922247	/nfs/dbraw/zinc/92/22/47/1003922247.db2.gz	XZBCHQMTTPCTGK-HUUCEWRRSA-N	1	0	358.438	1.484	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CCC(=O)N3COC)CC1	ZINC000931234769	1003984037	/nfs/dbraw/zinc/98/40/37/1003984037.db2.gz	SUEGWPCWKJOIQU-UHFFFAOYSA-N	1	0	370.453	1.789	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)CN2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1	ZINC000931284328	1004026337	/nfs/dbraw/zinc/02/63/37/1004026337.db2.gz	UPHLJWWRKSPXHJ-RUYXUALKSA-N	1	0	356.470	1.824	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H](N2CCC([N@@H+]3CCCOCC3)CC2)C1=O	ZINC000931287489	1004027809	/nfs/dbraw/zinc/02/78/09/1004027809.db2.gz	YJHSNYPZDUOQTI-KRWDZBQOSA-N	1	0	374.510	1.912	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H](OCC2CC[NH+](C[C@H](O)CC#N)CC2)C1	ZINC000931334997	1004064899	/nfs/dbraw/zinc/06/48/99/1004064899.db2.gz	BZZBEZBVXSEOJG-IAGOWNOFSA-N	1	0	367.490	1.999	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2	ZINC001111012350	1004195211	/nfs/dbraw/zinc/19/52/11/1004195211.db2.gz	NFOHQSPMANDODG-VQHPVUNQSA-N	1	0	350.507	1.131	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Nc1ccc(C(N)=O)cc1OCC(F)F	ZINC000931491399	1004209835	/nfs/dbraw/zinc/20/98/35/1004209835.db2.gz	NHPJHXXMRBNXIP-UHFFFAOYSA-N	1	0	354.357	1.116	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2cc(C#N)ccc2F)C[C@@H]1C	ZINC000931593919	1004297619	/nfs/dbraw/zinc/29/76/19/1004297619.db2.gz	CMYZJYOXZOXRAF-XJKSGUPXSA-N	1	0	360.433	1.645	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2cc(C#N)ccc2F)C[C@@H]1C	ZINC000931593915	1004297974	/nfs/dbraw/zinc/29/79/74/1004297974.db2.gz	CMYZJYOXZOXRAF-BBRMVZONSA-N	1	0	360.433	1.645	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2cc(C#N)ccc2F)[C@@H](C)C1	ZINC000931595744	1004300423	/nfs/dbraw/zinc/30/04/23/1004300423.db2.gz	MMZLELZPKCDAAM-SUMWQHHRSA-N	1	0	360.433	1.502	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000931722978	1004445115	/nfs/dbraw/zinc/44/51/15/1004445115.db2.gz	KZAAPXUCKDXLRW-FUHWJXTLSA-N	1	0	364.453	1.851	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3ncn(C)c3n1)C2	ZINC001111019566	1004572726	/nfs/dbraw/zinc/57/27/26/1004572726.db2.gz	DQTMTGCQJNUFPK-XYPHTWIQSA-N	1	0	355.442	1.506	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn(C)nc1Cl)C2	ZINC001111021260	1004643370	/nfs/dbraw/zinc/64/33/70/1004643370.db2.gz	QNMJPXGXBNPRBB-KFWWJZLASA-N	1	0	352.866	1.540	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CCc2cccc(S(N)(=O)=O)c2)CC1	ZINC000932143461	1004791969	/nfs/dbraw/zinc/79/19/69/1004791969.db2.gz	DOKBKBWSVPZBDG-UHFFFAOYSA-N	1	0	351.472	1.033	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(F)F)CC1	ZINC000932177740	1004810523	/nfs/dbraw/zinc/81/05/23/1004810523.db2.gz	CUMMPXVQHGBGKR-LLVKDONJSA-N	1	0	360.405	1.639	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CCC(C)([NH+]3CCCC3)CC2)cc1C#N	ZINC000932477507	1004979780	/nfs/dbraw/zinc/97/97/80/1004979780.db2.gz	CWKDIRPQCNPZKU-UHFFFAOYSA-N	1	0	368.481	1.960	20	30		FDEDRO
COc1ncc(NC(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1C#N	ZINC000932511474	1004994638	/nfs/dbraw/zinc/99/46/38/1004994638.db2.gz	DVTXXMYATZEXJA-UHFFFAOYSA-N	1	0	359.430	1.538	20	30		FDEDRO
COc1ncc(NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)cc1C#N	ZINC000932511521	1004994774	/nfs/dbraw/zinc/99/47/74/1004994774.db2.gz	GERGNLMHYCAGKQ-UHFFFAOYSA-N	1	0	360.462	1.452	20	30		FDEDRO
COc1cc(C#N)ccc1C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1	ZINC000932723319	1005127360	/nfs/dbraw/zinc/12/73/60/1005127360.db2.gz	IZANEKOREQTGLS-UHFFFAOYSA-N	1	0	358.442	1.097	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC1CCC1	ZINC001111040349	1005151769	/nfs/dbraw/zinc/15/17/69/1005151769.db2.gz	GYSLCWVPMLUIAA-DZVNLGKHSA-N	1	0	361.486	1.215	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC3(CCNC(=O)O3)CC2)cc1	ZINC000932759300	1005152040	/nfs/dbraw/zinc/15/20/40/1005152040.db2.gz	LRZFSDNVFMPALZ-INIZCTEOSA-N	1	0	359.426	1.457	20	30		FDEDRO
N#CC[C@H](NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)C(F)(F)F	ZINC000932889739	1005231933	/nfs/dbraw/zinc/23/19/33/1005231933.db2.gz	HKBUGGVYAPKPCC-AWEZNQCLSA-N	1	0	362.396	1.975	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1	ZINC000932961956	1005285116	/nfs/dbraw/zinc/28/51/16/1005285116.db2.gz	PGZPNCYHVDCVML-KRWDZBQOSA-N	1	0	351.491	1.561	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C)c2ccc3c(c2)CCO3)CC1	ZINC000933489297	1005568805	/nfs/dbraw/zinc/56/88/05/1005568805.db2.gz	ZVRHWDQIRTVGAD-VQIMIIECSA-N	1	0	370.497	1.964	20	30		FDEDRO
NS(=O)(=O)c1ccc(OCC[NH+]2CCC3(CC2)CC(=O)C=CO3)cc1	ZINC000933654613	1005600152	/nfs/dbraw/zinc/60/01/52/1005600152.db2.gz	ZNUCNIXAUTWQSO-UHFFFAOYSA-N	1	0	366.439	1.051	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1	ZINC000933757934	1005630631	/nfs/dbraw/zinc/63/06/31/1005630631.db2.gz	WLACTRZQMIYBBQ-GUXCAODWSA-N	1	0	354.454	1.909	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnnc1)C2	ZINC001111061918	1005640394	/nfs/dbraw/zinc/64/03/94/1005640394.db2.gz	PXNYBJZWEIVFKH-ZACQAIPSSA-N	1	0	355.442	1.012	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@](O)(C2(C(=O)OC)CCC2)C1	ZINC000933842741	1005646428	/nfs/dbraw/zinc/64/64/28/1005646428.db2.gz	SBBVTOTVUCXQLY-LJQANCHMSA-N	1	0	352.475	1.581	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN(C)CC[N@H+](C)CC1	ZINC000933994270	1005674712	/nfs/dbraw/zinc/67/47/12/1005674712.db2.gz	NEXSHJLPDADSJH-QGZVFWFLSA-N	1	0	364.559	1.830	20	30		FDEDRO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCN(C)CC[N@H+](C)CC1	ZINC000933995071	1005675135	/nfs/dbraw/zinc/67/51/35/1005675135.db2.gz	YLKPPKXVKVSAMS-FDYSRKEFSA-N	1	0	363.550	1.485	20	30		FDEDRO
C=CCN(C(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(C)C	ZINC000934312313	1005731290	/nfs/dbraw/zinc/73/12/90/1005731290.db2.gz	DSCDORGXYXMWDC-SFHVURJKSA-N	1	0	360.502	1.895	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNS(=O)(=O)CC	ZINC001111072214	1005731985	/nfs/dbraw/zinc/73/19/85/1005731985.db2.gz	GUGPRWKGZROHAH-OAGGEKHMSA-N	1	0	371.547	1.640	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNS(=O)(=O)N(C)C)C2	ZINC001111076367	1005759603	/nfs/dbraw/zinc/75/96/03/1005759603.db2.gz	DLVOOANEYLHQOG-OAGGEKHMSA-N	1	0	374.551	1.074	20	30		FDEDRO
CN(C)[S@@](C)(=O)=NCC1CC[NH+](CCC(=O)N(C)CCC#N)CC1	ZINC000934751984	1005792365	/nfs/dbraw/zinc/79/23/65/1005792365.db2.gz	MQFMVKJQQFMCPF-DEOSSOPVSA-N	1	0	357.524	1.035	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Nc1ccc(=O)n(Cc2cccc(F)c2)c1	ZINC000934905897	1005814686	/nfs/dbraw/zinc/81/46/86/1005814686.db2.gz	NYKPWVZLJPDGLC-UHFFFAOYSA-N	1	0	356.401	1.722	20	30		FDEDRO
N#CC1(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCSCC1	ZINC000934915557	1005816508	/nfs/dbraw/zinc/81/65/08/1005816508.db2.gz	ZHEWWROUAHEWNO-CVEARBPZSA-N	1	0	351.516	1.907	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CCN(c3cc(C)ncc3C#N)C2)CC[N@@H+]1C	ZINC001111141533	1006413014	/nfs/dbraw/zinc/41/30/14/1006413014.db2.gz	CDFGKRRPCXJOBE-SQGPQFPESA-N	1	0	371.485	1.049	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CCN(c3nc(C)ccc3C#N)C2)CC[N@@H+]1C	ZINC001111141770	1006415235	/nfs/dbraw/zinc/41/52/35/1006415235.db2.gz	JCXTVFUOCBKGIO-QKLQHJQFSA-N	1	0	371.485	1.049	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)c1ccccc1F)C2	ZINC001111162922	1006548099	/nfs/dbraw/zinc/54/80/99/1006548099.db2.gz	RCPOAESPQDVNKP-DTDBQYNISA-N	1	0	359.445	1.953	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CCC[N@H+]2CCC)C1	ZINC000954491326	1006815890	/nfs/dbraw/zinc/81/58/90/1006815890.db2.gz	JBYZYQIGQSUDBI-KURKYZTESA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1	ZINC000954772086	1007013882	/nfs/dbraw/zinc/01/38/82/1007013882.db2.gz	HBHBOCCSNBMBSP-IKGGRYGDSA-N	1	0	351.491	1.367	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCC(=O)NC1=O)C2	ZINC001111238101	1007023552	/nfs/dbraw/zinc/02/35/52/1007023552.db2.gz	KEYXLSDZGSHTGE-OAGGEKHMSA-N	1	0	364.490	1.620	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCCS(=O)(=O)C1)C2	ZINC001111240096	1007028620	/nfs/dbraw/zinc/02/86/20/1007028620.db2.gz	OKDYDELIOPMYHU-HZMVEIRTSA-N	1	0	354.516	1.889	20	30		FDEDRO
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000641841125	1007189788	/nfs/dbraw/zinc/18/97/88/1007189788.db2.gz	MAEOWPIOHFCPBX-QRVBRYPASA-N	1	0	362.518	1.676	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3cccc(C#N)c3)CC[C@@H]2C1	ZINC001202782892	1007360672	/nfs/dbraw/zinc/36/06/72/1007360672.db2.gz	JKAPSTUTURPJIR-SJLPKXTDSA-N	1	0	358.442	1.759	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1	ZINC000955365518	1007389717	/nfs/dbraw/zinc/38/97/17/1007389717.db2.gz	RBXCVGJPXDWYOH-SQNIBIBYSA-N	1	0	363.502	1.367	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000957013377	1007526706	/nfs/dbraw/zinc/52/67/06/1007526706.db2.gz	ABJVRRSECUQAMJ-QINHECLXSA-N	1	0	358.486	1.735	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1	ZINC000947491081	1007640600	/nfs/dbraw/zinc/64/06/00/1007640600.db2.gz	SYLOMUYVQOJTSN-SJORKVTESA-N	1	0	361.486	1.313	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@]2(C)CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1	ZINC000957069539	1007646277	/nfs/dbraw/zinc/64/62/77/1007646277.db2.gz	ACAVLYUUAPSDQN-DCXXXQMHSA-N	1	0	373.497	1.006	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC2(C)CCN(C(=O)c3ccc(C#N)[nH]3)CC2)CC[N@@H+]1C	ZINC000956388767	1008100649	/nfs/dbraw/zinc/10/06/49/1008100649.db2.gz	OHFPXFUEMXSHQU-DOTOQJQBSA-N	1	0	371.485	1.728	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC2(C)CCN(C(=O)[C@@H]3C[C@H]3C3CC3)CC2)CC1	ZINC000956396481	1008110938	/nfs/dbraw/zinc/11/09/38/1008110938.db2.gz	WAFNDANAVYMGFE-RBUKOAKNSA-N	1	0	371.525	1.875	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1	ZINC000956500640	1008182803	/nfs/dbraw/zinc/18/28/03/1008182803.db2.gz	HVODQVPBIIYANT-IKGGRYGDSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CCN(C(=O)C2CC[NH+](C)CC2)CC1	ZINC000956500626	1008182854	/nfs/dbraw/zinc/18/28/54/1008182854.db2.gz	HBTLYZWYIIAENC-SJORKVTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCn1cc(C(=O)NCCC[NH+]2CCN(c3cccc(C)c3)CC2)nn1	ZINC000648731379	1008564769	/nfs/dbraw/zinc/56/47/69/1008564769.db2.gz	UEVUXJDMGVSSHB-UHFFFAOYSA-N	1	0	368.485	1.715	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C	ZINC000949959095	1008573481	/nfs/dbraw/zinc/57/34/81/1008573481.db2.gz	DTCAASMBAHJZFJ-QFIXIFRTSA-N	1	0	367.493	1.514	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C	ZINC000949959271	1008575333	/nfs/dbraw/zinc/57/53/33/1008575333.db2.gz	GYELGTJKAAGILZ-KYJSFNMBSA-N	1	0	358.486	1.591	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)CC(C)(F)F)C[C@H]2C)CC1	ZINC000958601485	1008806313	/nfs/dbraw/zinc/80/63/13/1008806313.db2.gz	ZHERTMVTZSCCNE-UKRRQHHQSA-N	1	0	355.429	1.340	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)nc1	ZINC000950254406	1008963410	/nfs/dbraw/zinc/96/34/10/1008963410.db2.gz	UUVTZQMJMSSFEE-XYJFISCASA-N	1	0	354.454	1.124	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(Cc4cc(F)ccc4C#N)C[C@H]32)CC[N@@H+]1C	ZINC000959978275	1009244648	/nfs/dbraw/zinc/24/46/48/1009244648.db2.gz	ZJXZVKSKNCGJRM-PIDWITHXSA-N	1	0	356.445	1.584	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccccc2C#N)C1	ZINC000960009614	1009303634	/nfs/dbraw/zinc/30/36/34/1009303634.db2.gz	CGMSOYXAFDNPMQ-AYOQOUSVSA-N	1	0	368.481	1.944	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(C3CC3)no2)C1	ZINC000950648540	1009468896	/nfs/dbraw/zinc/46/88/96/1009468896.db2.gz	PQAXJWGJVJUAQM-XYPHTWIQSA-N	1	0	370.453	1.226	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC000950673655	1009495979	/nfs/dbraw/zinc/49/59/79/1009495979.db2.gz	FAMQJBHWBATNQA-FRFSOERESA-N	1	0	357.458	1.337	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCC34CC4)C[C@H]2C)CC1	ZINC000950728853	1009564082	/nfs/dbraw/zinc/56/40/82/1009564082.db2.gz	NWCDDPWQOMJRLG-NZSAHSFTSA-N	1	0	371.525	1.875	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH+]1CCC(Nc2cnc(F)cn2)CC1	ZINC001111321455	1009599226	/nfs/dbraw/zinc/59/92/26/1009599226.db2.gz	OVRAONMLUNYBGQ-CABCVRRESA-N	1	0	363.437	1.199	20	30		FDEDRO
CNC(=O)c1ccc(CNC(=[NH2+])NCCc2ccc(OC)c(OC)c2)cc1	ZINC000303874885	1009646266	/nfs/dbraw/zinc/64/62/66/1009646266.db2.gz	DFDAYGVGNHMGRX-UHFFFAOYSA-N	1	0	370.453	1.710	20	30		FDEDRO
C[NH+]=C(NCCOc1cccc(C(F)(F)F)c1)NCCN1CCOCC1	ZINC000303885488	1009673357	/nfs/dbraw/zinc/67/33/57/1009673357.db2.gz	NFLMFMXDWCJODB-UHFFFAOYSA-N	1	0	374.407	1.581	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2C)cc1	ZINC000950978993	1010198819	/nfs/dbraw/zinc/19/88/19/1010198819.db2.gz	WMGHAJMMJMCMFW-LZQZEXGQSA-N	1	0	353.466	1.729	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC000950986605	1010219763	/nfs/dbraw/zinc/21/97/63/1010219763.db2.gz	FFTHPLLDIIQAMW-ZTFGCOKTSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C1	ZINC000960457098	1010221382	/nfs/dbraw/zinc/22/13/82/1010221382.db2.gz	URJGXCOULGWDJJ-WCXIOVBPSA-N	1	0	363.502	1.367	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@H]2OCCN(C(=O)C[N@H+](C)C3CCC3)[C@H]2C1	ZINC000960535976	1010341874	/nfs/dbraw/zinc/34/18/74/1010341874.db2.gz	UGVUCFLQKYEONP-QKLQHJQFSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1	ZINC000951084987	1010436769	/nfs/dbraw/zinc/43/67/69/1010436769.db2.gz	VILKROCGMIKZLT-KSZLIROESA-N	1	0	368.437	1.646	20	30		FDEDRO
C=CC[C@@H](CO)[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC	ZINC000648517487	1010503889	/nfs/dbraw/zinc/50/38/89/1010503889.db2.gz	SXFGVSRRTMTDTL-RISCZKNCSA-N	1	0	371.275	1.989	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3CC(C)C)C[C@H]2C)CC1	ZINC000959681941	1010577752	/nfs/dbraw/zinc/57/77/52/1010577752.db2.gz	FDBZOXHXRHSZPE-VBSBHUPXSA-N	1	0	373.541	1.977	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@H]2OCCN(C(=O)c3ccn4c[nH+]cc4c3)[C@H]2C1	ZINC000960677560	1010587974	/nfs/dbraw/zinc/58/79/74/1010587974.db2.gz	WNODCUQQTFONBB-DLBZAZTESA-N	1	0	368.437	1.598	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)Cc2cncn2C)C1	ZINC000951416192	1010821327	/nfs/dbraw/zinc/82/13/27/1010821327.db2.gz	MMNBJNJLWLNCQA-OIISXLGYSA-N	1	0	360.458	1.051	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(CO)CCCN(c2ccnc(C)n2)C1	ZINC001111373024	1010836912	/nfs/dbraw/zinc/83/69/12/1010836912.db2.gz	BWCVFCTZYCJVRN-JTDSTZFVSA-N	1	0	360.458	1.214	20	30		FDEDRO
C[C@@H]1CNC(NN=C2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)=[NH+]1	ZINC000779793891	1011008286	/nfs/dbraw/zinc/00/82/86/1011008286.db2.gz	BMWGTAAVAHUERR-OCCSQVGLSA-N	1	0	353.426	1.909	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1ccc(OC)cc1)C2	ZINC001111397860	1011135209	/nfs/dbraw/zinc/13/52/09/1011135209.db2.gz	PQFGQRGZIFMMLG-LZQZEXGQSA-N	1	0	360.454	1.998	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(C(N)=O)cc1	ZINC000960880126	1011609436	/nfs/dbraw/zinc/60/94/36/1011609436.db2.gz	AJFXRQUPHXHZCU-QRVBRYPASA-N	1	0	371.481	1.799	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@]3(CCN(C(=O)C#CC4CC4)C3)C2)CC[N@@H+]1C	ZINC000952908954	1012107063	/nfs/dbraw/zinc/10/70/63/1012107063.db2.gz	SGOBDPVMOUCYEH-NNMXDRDESA-N	1	0	371.525	1.971	20	30		FDEDRO
C=C(Cl)C[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1	ZINC000961412833	1012350141	/nfs/dbraw/zinc/35/01/41/1012350141.db2.gz	UXLCMRNJXJEQLY-OAGGEKHMSA-N	1	0	353.894	1.811	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1	ZINC000963810608	1012724642	/nfs/dbraw/zinc/72/46/42/1012724642.db2.gz	CJKWYYSTZNTORK-GQIGUUNPSA-N	1	0	365.518	1.541	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2	ZINC000636114224	1012739566	/nfs/dbraw/zinc/73/95/66/1012739566.db2.gz	XZIYSXXRHGVJFH-SBHAEUEKSA-N	1	0	356.466	1.416	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]21	ZINC000963850167	1012779569	/nfs/dbraw/zinc/77/95/69/1012779569.db2.gz	FLDIQHWRTTUZRW-RZFLPCETSA-N	1	0	363.502	1.367	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3N(C)C)C[C@H]21	ZINC000961827011	1012897164	/nfs/dbraw/zinc/89/71/64/1012897164.db2.gz	SHCVQEMVXNPESV-JOMPHRNESA-N	1	0	355.482	1.890	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2nnc(C)n2CC)C1	ZINC000961853267	1012945323	/nfs/dbraw/zinc/94/53/23/1012945323.db2.gz	MMSURSFZFRRURR-BACDZXNISA-N	1	0	361.490	1.572	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCC([NH2+]Cc2cnns2)CC1	ZINC000963926970	1012971745	/nfs/dbraw/zinc/97/17/45/1012971745.db2.gz	XTMDZHNQLOINTA-GMEATFMZSA-N	1	0	350.488	1.988	20	30		FDEDRO
C[C@@H](CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[N@H+](C)C1CC1	ZINC000192344867	178110530	/nfs/dbraw/zinc/11/05/30/178110530.db2.gz	AFBFKTJNWDGVNS-KBXCAEBGSA-N	1	0	369.469	1.441	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cc(C#N)cn3C(C)(C)C)CC[C@@H]21	ZINC000193171428	178149910	/nfs/dbraw/zinc/14/99/10/178149910.db2.gz	YZMDEYYWNAXITR-HOTGVXAUSA-N	1	0	371.485	1.996	20	30		FDEDRO
N#Cc1ccc2c(c1)N(C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)CC2	ZINC000277444736	781919023	/nfs/dbraw/zinc/91/90/23/781919023.db2.gz	HIAKREKAGKPVLP-QGZVFWFLSA-N	1	0	352.438	1.580	20	30		FDEDRO
COc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cn1	ZINC000195181906	178245064	/nfs/dbraw/zinc/24/50/64/178245064.db2.gz	DKFJDJVCPGTPJM-UHFFFAOYSA-N	1	0	374.466	1.714	20	30		FDEDRO
CCOC1CC(C[NH2+]Cc2ccc(OC)c(C#N)c2)(N2CCOCC2)C1	ZINC000195459051	178263521	/nfs/dbraw/zinc/26/35/21/178263521.db2.gz	BGTFITQBDPFSAZ-UHFFFAOYSA-N	1	0	359.470	1.926	20	30		FDEDRO
C[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(C#N)cc1F	ZINC000512613316	538977181	/nfs/dbraw/zinc/97/71/81/538977181.db2.gz	ROWZSYMUEOPEHP-LBPRGKRZSA-N	1	0	354.385	1.763	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)NCC1CC[NH2+]CC1	ZINC000518348463	539410825	/nfs/dbraw/zinc/41/08/25/539410825.db2.gz	OHNIUSUZUXCHAK-MSOLQXFVSA-N	1	0	354.454	1.401	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000522010457	539531899	/nfs/dbraw/zinc/53/18/99/539531899.db2.gz	RNGIJMQCHLVRTJ-SWLSCSKDSA-N	1	0	370.375	1.278	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1	ZINC000264257970	179061105	/nfs/dbraw/zinc/06/11/05/179061105.db2.gz	HIRLHAGAKJVXJZ-UHFFFAOYSA-N	1	0	370.453	1.049	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)COc2ccc(C#N)cc2)CC1	ZINC000264359276	179087926	/nfs/dbraw/zinc/08/79/26/179087926.db2.gz	AQIIBHWZWJBNQN-GOSISDBHSA-N	1	0	356.470	1.566	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000264493695	179122328	/nfs/dbraw/zinc/12/23/28/179122328.db2.gz	HAZJRRHAJKPFIB-QGZVFWFLSA-N	1	0	362.499	1.349	20	30		FDEDRO
C[NH+](C)C/C=C/C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000264672447	179163210	/nfs/dbraw/zinc/16/32/10/179163210.db2.gz	YUXILXPUMDILEN-ZZXKWVIFSA-N	1	0	355.398	1.573	20	30		FDEDRO
Cc1cc(CS(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)no1	ZINC000265362962	179353187	/nfs/dbraw/zinc/35/31/87/179353187.db2.gz	UEXZBXSBYPWCFO-UHFFFAOYSA-N	1	0	362.455	1.748	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000265497870	179391713	/nfs/dbraw/zinc/39/17/13/179391713.db2.gz	HQJJVSYWBOMEMR-MRXNPFEDSA-N	1	0	373.453	1.563	20	30		FDEDRO
N#Cc1cccc(CS(=O)(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1	ZINC000528061914	539729424	/nfs/dbraw/zinc/72/94/24/539729424.db2.gz	YPVBRUZNCIITOK-SFHVURJKSA-N	1	0	363.483	1.479	20	30		FDEDRO
N#Cc1ccc(CN2CC[NH+](C[C@H](O)COC3CCOCC3)CC2)cc1	ZINC000268025124	179978192	/nfs/dbraw/zinc/97/81/92/179978192.db2.gz	FBOJWABXXRFLDA-IBGZPJMESA-N	1	0	359.470	1.232	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)Cc2ccc(C#N)nc2)CC1	ZINC000528331845	539749515	/nfs/dbraw/zinc/74/95/15/539749515.db2.gz	USZIYQMVNXYECK-CALCHBBNSA-N	1	0	355.486	1.513	20	30		FDEDRO
COC(=O)CC1([NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)CCOCC1	ZINC000268428278	180079858	/nfs/dbraw/zinc/07/98/58/180079858.db2.gz	HYTSEZYOFUUIIU-UHFFFAOYSA-N	1	0	365.817	1.852	20	30		FDEDRO
C[C@@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1ccc(C#N)cc1	ZINC000268926924	180181094	/nfs/dbraw/zinc/18/10/94/180181094.db2.gz	YINYNDSSEMMJEA-CRAIPNDOSA-N	1	0	369.469	1.567	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NC[C@@H]3COCC[NH2+]3)CC2)c(Cl)c1	ZINC000529373753	539830358	/nfs/dbraw/zinc/83/03/58/539830358.db2.gz	AKLJBUGLRVUEKI-CQSZACIVSA-N	1	0	363.849	1.032	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)Cn2cc(C#N)c3ccsc3c2=O)CC1	ZINC000530124480	539889019	/nfs/dbraw/zinc/88/90/19/539889019.db2.gz	DVNANFZOHCUBDT-UHFFFAOYSA-N	1	0	358.467	1.924	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)NC[C@H]3CC[N@@H+](C(C)C)C3)CC2)c1C#N	ZINC000530360735	539950359	/nfs/dbraw/zinc/95/03/59/539950359.db2.gz	FFTYEGQRDAJXNC-MRXNPFEDSA-N	1	0	373.505	1.162	20	30		FDEDRO
C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1	ZINC000530806744	540046456	/nfs/dbraw/zinc/04/64/56/540046456.db2.gz	PYNHEMOLIBLGOU-OAHLLOKOSA-N	1	0	358.442	1.766	20	30		FDEDRO
C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1	ZINC000530806743	540046776	/nfs/dbraw/zinc/04/67/76/540046776.db2.gz	PYNHEMOLIBLGOU-HNNXBMFYSA-N	1	0	358.442	1.766	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCC[N@H+]2CC[C@@H](C)C2)cc1	ZINC000530806561	540045215	/nfs/dbraw/zinc/04/52/15/540045215.db2.gz	VCKYVGXLOKKJIH-CQSZACIVSA-N	1	0	373.457	1.391	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CCN(C(=O)CC)C1)C(C)C	ZINC000268571255	674092589	/nfs/dbraw/zinc/09/25/89/674092589.db2.gz	QHTGOGZYKBXSLU-IRXDYDNUSA-N	1	0	350.507	1.995	20	30		FDEDRO
N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCc3n[nH]c(=O)cc3C1)CCC2	ZINC000274864440	181180634	/nfs/dbraw/zinc/18/06/34/181180634.db2.gz	CFRONLIJVIUCLD-UHFFFAOYSA-N	1	0	369.450	1.579	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)n(CCC#N)n1	ZINC000532601297	540176320	/nfs/dbraw/zinc/17/63/20/540176320.db2.gz	PTGDDKAZIXJAER-GJZGRUSLSA-N	1	0	360.462	1.423	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](N2CCNC2=O)C1	ZINC000533034439	540196104	/nfs/dbraw/zinc/19/61/04/540196104.db2.gz	OUHLURYONLEVKE-ZWKOTPCHSA-N	1	0	359.470	1.644	20	30		FDEDRO
Cn1cc(CN2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)cn1	ZINC000533415018	540244440	/nfs/dbraw/zinc/24/44/40/540244440.db2.gz	WNAKCECUQRBKFO-UHFFFAOYSA-N	1	0	352.442	1.438	20	30		FDEDRO
COC(=O)c1cccc(CN2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1C#N	ZINC000535962796	540532143	/nfs/dbraw/zinc/53/21/43/540532143.db2.gz	GFVSNAGLEHYFFH-GOSISDBHSA-N	1	0	370.497	1.945	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)Cc3cc(C#N)ccc3F)CC[C@H]21	ZINC000536583195	540619843	/nfs/dbraw/zinc/61/98/43/540619843.db2.gz	LWDBTXGVPDUUQQ-WMLDXEAASA-N	1	0	351.447	1.943	20	30		FDEDRO
Cc1cc2nc(C)c(CCC(=O)NC3(C#N)CC[NH+](C)CC3)c(C)n2n1	ZINC000536791434	540650650	/nfs/dbraw/zinc/65/06/50/540650650.db2.gz	PBCACWCMAKUACI-UHFFFAOYSA-N	1	0	354.458	1.691	20	30		FDEDRO
CC(C)[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C[C@@H](C)O	ZINC000540551031	541073738	/nfs/dbraw/zinc/07/37/38/541073738.db2.gz	XSVMWDLCHOTCIV-CVEARBPZSA-N	1	0	364.515	1.548	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3CCC(CC#N)CC3)CC2)o1	ZINC000543808292	541665593	/nfs/dbraw/zinc/66/55/93/541665593.db2.gz	SEOBTYFBHUSAOF-UHFFFAOYSA-N	1	0	356.430	1.129	20	30		FDEDRO
CC[NH+](CC)CCOCCNC(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000544496263	541776900	/nfs/dbraw/zinc/77/69/00/541776900.db2.gz	PIXYIHPZPNSXKN-UHFFFAOYSA-N	1	0	350.394	1.110	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)CC1(C#N)CCCC1	ZINC000544725035	541817303	/nfs/dbraw/zinc/81/73/03/541817303.db2.gz	CPPCMMSTSXKUBN-PMPSAXMXSA-N	1	0	355.504	1.584	20	30		FDEDRO
N#Cc1cc(I)c(O[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1	ZINC000051783917	205183924	/nfs/dbraw/zinc/18/39/24/205183924.db2.gz	LXWLEAPQTOLEFU-QMMMGPOBSA-N	1	0	359.123	1.812	20	30		FDEDRO
Cc1cccc(S(=O)(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c1C#N	ZINC000282690674	182043038	/nfs/dbraw/zinc/04/30/38/182043038.db2.gz	XFZQUFMNIWKENH-UHFFFAOYSA-N	1	0	350.488	1.171	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2OC)C[C@@H]1C	ZINC000545296267	541928793	/nfs/dbraw/zinc/92/87/93/541928793.db2.gz	VPBUKJUWQZUQFJ-DZGCQCFKSA-N	1	0	358.442	1.837	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1	ZINC000283873443	182299549	/nfs/dbraw/zinc/29/95/49/182299549.db2.gz	GQAXMVUUZMKCBD-OAHLLOKOSA-N	1	0	372.469	1.353	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)n(CCC#N)n1	ZINC000545379201	541952179	/nfs/dbraw/zinc/95/21/79/541952179.db2.gz	ZNBVPKMJJYSJBT-UHFFFAOYSA-N	1	0	360.462	1.282	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccc(C#N)cc1	ZINC000284185711	182393245	/nfs/dbraw/zinc/39/32/45/182393245.db2.gz	ZUTUOTZMKXICHS-KSSFIOAISA-N	1	0	354.454	1.869	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1	ZINC000545510514	541991931	/nfs/dbraw/zinc/99/19/31/541991931.db2.gz	LSTGLWAFDZHCAJ-QGZVFWFLSA-N	1	0	370.501	1.905	20	30		FDEDRO
C[NH+](C)C[C@@](C)(O)CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1	ZINC000285762956	182897194	/nfs/dbraw/zinc/89/71/94/182897194.db2.gz	MODNIYUITACNMT-IBGZPJMESA-N	1	0	362.449	1.343	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000546612604	542182098	/nfs/dbraw/zinc/18/20/98/542182098.db2.gz	RJVPGWGVXKECQL-ZFWWWQNUSA-N	1	0	353.430	2.052	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C	ZINC000546612651	542182123	/nfs/dbraw/zinc/18/21/23/542182123.db2.gz	AGHXTKXQSJNUNZ-CJNGLKHVSA-N	1	0	367.457	2.298	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3CCCS(=O)(=O)C3)CC2)cc1	ZINC000287219636	183239314	/nfs/dbraw/zinc/23/93/14/183239314.db2.gz	XKPKUVBDBAVLAX-SFHVURJKSA-N	1	0	361.511	1.937	20	30		FDEDRO
COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCn2cnc(C#N)n2)c(OC)c1	ZINC000287644067	183345223	/nfs/dbraw/zinc/34/52/23/183345223.db2.gz	USNJRXPBXUHMBP-GFCCVEGCSA-N	1	0	358.402	1.174	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(S(=O)(=O)c3ccc(C#N)o3)CC2)CC1	ZINC000287660936	183349365	/nfs/dbraw/zinc/34/93/65/183349365.db2.gz	CTLYKZUHCBNSBC-UHFFFAOYSA-N	1	0	366.487	1.330	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CCN(C(=O)NCCCC[NH+]3CCOCC3)C2)nc1	ZINC000291629735	183802078	/nfs/dbraw/zinc/80/20/78/183802078.db2.gz	LIDHEXGASMSYRP-KRWDZBQOSA-N	1	0	373.457	1.228	20	30		FDEDRO
C[NH+](C)CCCOc1cccc(NC(=O)C(=O)Nc2ccc(C#N)cn2)c1	ZINC000294862737	184014683	/nfs/dbraw/zinc/01/46/83/184014683.db2.gz	TWAVAMGJSQGVNV-UHFFFAOYSA-N	1	0	367.409	1.861	20	30		FDEDRO
COC[C@@]1(C(=O)OC)CC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000295224124	184046970	/nfs/dbraw/zinc/04/69/70/184046970.db2.gz	VZKQNEMYAMASBP-VQIMIIECSA-N	1	0	357.410	1.175	20	30		FDEDRO
C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000295108487	184034620	/nfs/dbraw/zinc/03/46/20/184034620.db2.gz	ICHGSEMUOZETRZ-CQSZACIVSA-N	1	0	368.478	1.143	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](C(=O)N[C@@H]3CCC[N@@H+](CCCO)C3)C2)c(F)c1	ZINC000295459974	184073964	/nfs/dbraw/zinc/07/39/64/184073964.db2.gz	MRRJLTJOLYMWME-DLBZAZTESA-N	1	0	374.460	1.487	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1	ZINC000295723522	184098518	/nfs/dbraw/zinc/09/85/18/184098518.db2.gz	VMYXTRMNFOTULA-KSZLIROESA-N	1	0	365.433	1.579	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN([C@H](C)CC)CC1	ZINC000296110987	184131140	/nfs/dbraw/zinc/13/11/40/184131140.db2.gz	HLYJELQSJDSCSH-CQSZACIVSA-N	1	0	358.442	1.838	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)ccc1Cl	ZINC000296346217	184156008	/nfs/dbraw/zinc/15/60/08/184156008.db2.gz	YQROXZXTBIAPQH-CQSZACIVSA-N	1	0	364.833	1.113	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccnn1CC[NH+](C)C	ZINC000296735698	184195135	/nfs/dbraw/zinc/19/51/35/184195135.db2.gz	CBJULWGSDBBRDS-UHFFFAOYSA-N	1	0	370.457	1.997	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2snc(C)c2C#N)CC1	ZINC000297523344	184281836	/nfs/dbraw/zinc/28/18/36/184281836.db2.gz	XBBFYIQPNDMKDH-UHFFFAOYSA-N	1	0	364.475	1.341	20	30		FDEDRO
COC(=O)C1CC[NH+](CCCNC(=O)COc2ccccc2C#N)CC1	ZINC000298511414	184452366	/nfs/dbraw/zinc/45/23/66/184452366.db2.gz	UDXWZFJZKRFFQV-UHFFFAOYSA-N	1	0	359.426	1.328	20	30		FDEDRO
CC[C@H](CNC(=O)[C@@H](C)n1cnc(C#N)n1)[N@@H+]1CCc2ccccc2C1	ZINC000547380329	542325539	/nfs/dbraw/zinc/32/55/39/542325539.db2.gz	RINVKZHKBFGKCQ-RHSMWYFYSA-N	1	0	352.442	1.664	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H](C)[NH+]2CCCC2)c1	ZINC000547713674	542426009	/nfs/dbraw/zinc/42/60/09/542426009.db2.gz	XPWXGPNLFFUMDU-AWEZNQCLSA-N	1	0	351.472	1.365	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000172532924	258278632	/nfs/dbraw/zinc/27/86/32/258278632.db2.gz	TVYCKJVJLVTPLO-INIZCTEOSA-N	1	0	370.453	1.840	20	30		FDEDRO
Cc1ccccc1C[N@@H+]1CCCN(C(=O)COc2cnc(C#N)nc2)CC1	ZINC000548283401	542611124	/nfs/dbraw/zinc/61/11/24/542611124.db2.gz	BOQULNMVTLSLHD-UHFFFAOYSA-N	1	0	365.437	1.770	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)C2CCCC2)n(CCC#N)n1	ZINC000548653739	542731177	/nfs/dbraw/zinc/73/11/77/542731177.db2.gz	WRMIQWSLAHRIPQ-UHFFFAOYSA-N	1	0	360.462	1.377	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCCN(c3ncccn3)C2)cc1	ZINC000548925277	542808332	/nfs/dbraw/zinc/80/83/32/542808332.db2.gz	CEEQIZSTSYYVCE-ZWKOTPCHSA-N	1	0	367.453	1.541	20	30		FDEDRO
COCC(=O)Nc1cccc(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c1	ZINC000550172296	543028464	/nfs/dbraw/zinc/02/84/64/543028464.db2.gz	XYFDCQPVGQWPRH-GOSISDBHSA-N	1	0	369.421	1.673	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)C1	ZINC000550592127	543132266	/nfs/dbraw/zinc/13/22/66/543132266.db2.gz	QYOBIYAPVRAMEE-SFHVURJKSA-N	1	0	372.469	1.134	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(C#N)cc1	ZINC000550979919	543210248	/nfs/dbraw/zinc/21/02/48/543210248.db2.gz	UDXTUITTYQQYFZ-YOEHRIQHSA-N	1	0	354.454	1.869	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000551058514	543226194	/nfs/dbraw/zinc/22/61/94/543226194.db2.gz	PQZCJCKSQWBFSL-IBGZPJMESA-N	1	0	372.513	1.516	20	30		FDEDRO
N#Cc1cccc(C2([NH2+]C[C@@H](O)CN3C(=O)c4ccccc4C3=O)CC2)c1	ZINC000551411260	543282587	/nfs/dbraw/zinc/28/25/87/543282587.db2.gz	QELFWACJCGHFBD-MRXNPFEDSA-N	1	0	361.401	1.794	20	30		FDEDRO
CC[C@@H](CO)[NH+]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000072797348	172049862	/nfs/dbraw/zinc/04/98/62/172049862.db2.gz	VFHHIHNZOFPNPA-INIZCTEOSA-N	1	0	364.877	1.929	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000088820427	172238124	/nfs/dbraw/zinc/23/81/24/172238124.db2.gz	YHKJVCGAUHHPSZ-UHFFFAOYSA-N	1	0	358.373	1.819	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(Cc3cc(=O)n4nccc4[nH]3)CC2)cc1	ZINC000104097583	172375361	/nfs/dbraw/zinc/37/53/61/172375361.db2.gz	SSMNTNZFOAOKCD-UHFFFAOYSA-N	1	0	362.437	1.602	20	30		FDEDRO
COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000104556517	172381752	/nfs/dbraw/zinc/38/17/52/172381752.db2.gz	PGIDFBYRKAEBSA-UHFFFAOYSA-N	1	0	352.822	1.187	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CC1	ZINC000104918367	172390786	/nfs/dbraw/zinc/39/07/86/172390786.db2.gz	KUSZZXDJDRWRSS-UHFFFAOYSA-N	1	0	370.497	1.956	20	30		FDEDRO
C[NH+](C)C1(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)CCOCC1	ZINC000125378159	173003379	/nfs/dbraw/zinc/00/33/79/173003379.db2.gz	VGEODXPAQFWVMK-UHFFFAOYSA-N	1	0	359.398	1.226	20	30		FDEDRO
CCNC(=O)C(C)(C)CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000131281351	173195657	/nfs/dbraw/zinc/19/56/57/173195657.db2.gz	WKQRRJHVLPABCY-UHFFFAOYSA-N	1	0	373.501	1.794	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000133487324	173265773	/nfs/dbraw/zinc/26/57/73/173265773.db2.gz	WVMKIHKHXVJENI-CABCVRRESA-N	1	0	372.473	1.533	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C[N@@H+]1C1CC1	ZINC000175556591	174012344	/nfs/dbraw/zinc/01/23/44/174012344.db2.gz	GDILLVNLQLAGQX-HOCLYGCPSA-N	1	0	354.458	1.410	20	30		FDEDRO
CC[C@H]1CN(CC(=O)Nc2sc(C)c(C)c2C#N)CC[N@@H+]1C[C@@H](C)O	ZINC000177130172	174108057	/nfs/dbraw/zinc/10/80/57/174108057.db2.gz	NMEAOPUJJHKFGE-DOMZBBRYSA-N	1	0	364.515	1.952	20	30		FDEDRO
C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000174007027	258316606	/nfs/dbraw/zinc/31/66/06/258316606.db2.gz	VGLNFZIKLWAZCO-GFCCVEGCSA-N	1	0	354.332	1.678	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000177069991	258326036	/nfs/dbraw/zinc/32/60/36/258326036.db2.gz	CTDHPCOYESSGPU-MJGOQNOKSA-N	1	0	357.454	1.817	20	30		FDEDRO
CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000182933057	258378630	/nfs/dbraw/zinc/37/86/30/258378630.db2.gz	JLLAQJSPRMEDDP-PKOBYXMFSA-N	1	0	354.454	1.854	20	30		FDEDRO
C[C@@H]1CN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1CC(C)(C)O	ZINC000189938392	258387873	/nfs/dbraw/zinc/38/78/73/258387873.db2.gz	DPQIWPYFHHABKM-VQIMIIECSA-N	1	0	370.497	1.831	20	30		FDEDRO
N#Cc1ccccc1OCC(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1	ZINC000245746738	258396161	/nfs/dbraw/zinc/39/61/61/258396161.db2.gz	AKIPUZDIBPITEW-OALUTQOASA-N	1	0	365.433	1.689	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2Cn2ccnc2CC)CC1	ZINC000553669657	543677999	/nfs/dbraw/zinc/67/79/99/543677999.db2.gz	YISYBRFXFLICOM-KRWDZBQOSA-N	1	0	373.501	1.203	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1	ZINC000555739352	544017908	/nfs/dbraw/zinc/01/79/08/544017908.db2.gz	JMMTVPHUUUTUDG-IRXDYDNUSA-N	1	0	365.518	1.855	20	30		FDEDRO
Cc1onc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1C	ZINC000555848426	544040162	/nfs/dbraw/zinc/04/01/62/544040162.db2.gz	FEVHZLXTYVBCQQ-UHFFFAOYSA-N	1	0	369.425	1.692	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1	ZINC000556122650	544100854	/nfs/dbraw/zinc/10/08/54/544100854.db2.gz	HTSJJRCJPMVRPZ-FUHWJXTLSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCn1c(N2CC[NH+](C[C@H]3CCOC3)CC2)nnc1[C@@]1(C)CCCO1	ZINC000556444395	544145012	/nfs/dbraw/zinc/14/50/12/544145012.db2.gz	FACUMRXJGNBETO-VQIMIIECSA-N	1	0	361.490	1.648	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1	ZINC000556518306	544152075	/nfs/dbraw/zinc/15/20/75/544152075.db2.gz	ROUJSGCMSNRMDP-SRABZTEZSA-N	1	0	360.458	1.838	20	30		FDEDRO
COc1cc(CNC(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)ccc1C#N	ZINC000557199781	544262144	/nfs/dbraw/zinc/26/21/44/544262144.db2.gz	KAPHZZHXXWYALX-MJGOQNOKSA-N	1	0	372.469	1.995	20	30		FDEDRO
CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCCCCC#N	ZINC000557704691	544333827	/nfs/dbraw/zinc/33/38/27/544333827.db2.gz	ZUHNXWDWMHCBCO-SFHVURJKSA-N	1	0	356.470	1.777	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[C@@H](SCC)C2)CC1	ZINC000557732085	544338044	/nfs/dbraw/zinc/33/80/44/544338044.db2.gz	UNFMOOCUJZHMDD-JKSUJKDBSA-N	1	0	353.532	1.886	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2SCCc3ccccc32)CC1	ZINC000557733403	544337858	/nfs/dbraw/zinc/33/78/58/544337858.db2.gz	VUJPUEWKDPBSIJ-SFHVURJKSA-N	1	0	373.522	1.900	20	30		FDEDRO
N#Cc1cc(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)ccc1Cl	ZINC000558363116	544415547	/nfs/dbraw/zinc/41/55/47/544415547.db2.gz	YFULPSRPVFHHAK-UHFFFAOYSA-N	1	0	362.861	1.934	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000299564660	259006700	/nfs/dbraw/zinc/00/67/00/259006700.db2.gz	SSTRKUQBEWRXFB-KRWDZBQOSA-N	1	0	352.442	1.469	20	30		FDEDRO
CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000299666502	259014959	/nfs/dbraw/zinc/01/49/59/259014959.db2.gz	SWKBDMXPCASYIA-LBPRGKRZSA-N	1	0	357.414	1.053	20	30		FDEDRO
N#Cc1ccc(C(F)(F)F)nc1NCCC[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000301276702	259024772	/nfs/dbraw/zinc/02/47/72/259024772.db2.gz	IZXOFZQWXAWLMU-GFCCVEGCSA-N	1	0	355.364	1.971	20	30		FDEDRO
N#Cc1ccnc(NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1[N+](=O)[O-]	ZINC000301840097	259034418	/nfs/dbraw/zinc/03/44/18/259034418.db2.gz	AJRJRZFDIBIRCA-JKSUJKDBSA-N	1	0	353.382	1.909	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@@H]3[C@@H]3COCC[C@@H]3O)C2=O)cc1	ZINC000328772426	259057771	/nfs/dbraw/zinc/05/77/71/259057771.db2.gz	HDRYYOFFQATCEW-YRPNKDGESA-N	1	0	369.465	1.915	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@@H]3[C@@H]3COCC[C@H]3O)C2=O)cc1	ZINC000328772431	259057936	/nfs/dbraw/zinc/05/79/36/259057936.db2.gz	HDRYYOFFQATCEW-ZGXWSNOMSA-N	1	0	369.465	1.915	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2cnc(C)c(C#N)c2)C[C@H]1[NH+]1CCCC1	ZINC000330195673	259132619	/nfs/dbraw/zinc/13/26/19/259132619.db2.gz	PHGGSNJHFIWHDX-HZPDHXFCSA-N	1	0	366.512	1.462	20	30		FDEDRO
N#Cc1ccc(NC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1F	ZINC000331767775	259218728	/nfs/dbraw/zinc/21/87/28/259218728.db2.gz	DITAJPLCZLDZOK-AWEZNQCLSA-N	1	0	359.405	1.373	20	30		FDEDRO
CC(C)(C)c1csc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)c1C#N	ZINC000331775214	259219033	/nfs/dbraw/zinc/21/90/33/259219033.db2.gz	GIYDTNLDGIOLML-RYUDHWBXSA-N	1	0	360.483	1.924	20	30		FDEDRO
CN1CC[NH+](CC2(C)CCN(C(=O)Cc3ccc(C#N)cc3)CC2)CC1	ZINC000332510669	259271959	/nfs/dbraw/zinc/27/19/59/259271959.db2.gz	DGQZAHOIAIIRJL-UHFFFAOYSA-N	1	0	354.498	1.977	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C[C@@H]21	ZINC000333154238	259316281	/nfs/dbraw/zinc/31/62/81/259316281.db2.gz	IGSMFJJEVCRGQG-KURKYZTESA-N	1	0	367.453	1.005	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3C[C@H]4CC[NH2+]C[C@H]4C3)C2=O)cc1	ZINC000333490072	259353406	/nfs/dbraw/zinc/35/34/06/259353406.db2.gz	CHVNQAXFWWCWRT-RYRKJORJSA-N	1	0	367.453	1.305	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@H]3CCCC[NH2+]C3)C2=O)cc1	ZINC000333536883	259357774	/nfs/dbraw/zinc/35/77/74/259357774.db2.gz	ISINEYIQKIIADH-DOTOQJQBSA-N	1	0	355.442	1.495	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1	ZINC000333667265	259367787	/nfs/dbraw/zinc/36/77/87/259367787.db2.gz	MNPNCEJKLWARNK-SJLPKXTDSA-N	1	0	363.483	1.774	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000333825402	259385350	/nfs/dbraw/zinc/38/53/50/259385350.db2.gz	LNFZOUOLMHFJSO-KDOFPFPSSA-N	1	0	369.469	1.916	20	30		FDEDRO
C[C@]1(CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CCC[NH2+]C1	ZINC000333895829	259391531	/nfs/dbraw/zinc/39/15/31/259391531.db2.gz	YZTJOTNIOYXCQF-IBGZPJMESA-N	1	0	359.449	1.919	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)cc1	ZINC000363282130	259567394	/nfs/dbraw/zinc/56/73/94/259567394.db2.gz	HMAPXMGMHJBYOW-IEBWSBKVSA-N	1	0	372.469	1.737	20	30		FDEDRO
CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1	ZINC000365055204	259808452	/nfs/dbraw/zinc/80/84/52/259808452.db2.gz	OPGKZTXOCAXOIU-RTBURBONSA-N	1	0	368.481	1.849	20	30		FDEDRO
CC[NH+]1CCC(N(CCS(=O)(=O)c2ccc(C#N)cn2)C2CC2)CC1	ZINC000367371959	260032136	/nfs/dbraw/zinc/03/21/36/260032136.db2.gz	RFRGHXLALMTNIQ-UHFFFAOYSA-N	1	0	362.499	1.676	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)C[C@H]21	ZINC000367587173	260064933	/nfs/dbraw/zinc/06/49/33/260064933.db2.gz	ZXCUDKXOUCBFPK-BXUZGUMPSA-N	1	0	350.400	1.181	20	30		FDEDRO
CN1CC[NH+](C[C@@H]2CCCN(CC(=O)NCc3cccc(C#N)c3)C2)CC1	ZINC000367671588	260075393	/nfs/dbraw/zinc/07/53/93/260075393.db2.gz	JXMLKZUZDLGCBU-FQEVSTJZSA-N	1	0	369.513	1.134	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CCN2CC[C@H](O)c3ccccc3C2)nc1	ZINC000367994619	260120848	/nfs/dbraw/zinc/12/08/48/260120848.db2.gz	SSDGESXAROBHDQ-KRWDZBQOSA-N	1	0	357.435	1.666	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](N3CCC[C@@H](N4CCNC4=O)C3)C2=O)cc1	ZINC000368017358	260123297	/nfs/dbraw/zinc/12/32/97/260123297.db2.gz	JUNRPKAVQJDCGS-QZTJIDSGSA-N	1	0	367.453	1.543	20	30		FDEDRO
N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)sc2c1CCCC2	ZINC000368097022	260135376	/nfs/dbraw/zinc/13/53/76/260135376.db2.gz	DCXPNTKKFGPYTP-CHWSQXEVSA-N	1	0	372.494	1.895	20	30		FDEDRO
C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CCCN(c2ccc(C#N)cc2)CC1	ZINC000368795518	260238418	/nfs/dbraw/zinc/23/84/18/260238418.db2.gz	PIHPMRULYFIKRS-VQIMIIECSA-N	1	0	356.470	1.754	20	30		FDEDRO
Cn1cc([C@@H]2C[C@@H]2C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cn1	ZINC000368883879	260254502	/nfs/dbraw/zinc/25/45/02/260254502.db2.gz	JPTWIAFBUOAWDC-OALUTQOASA-N	1	0	351.454	1.986	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)c3ccnc(-n4ccnc4)c3)CC2)nc1	ZINC000368923189	260261528	/nfs/dbraw/zinc/26/15/28/260261528.db2.gz	LMPLYSRPHFJEQU-UHFFFAOYSA-N	1	0	373.420	1.933	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+]C[C@@H]3C[C@H](F)CN3Cc3cncnc3)n2c1	ZINC000369128860	260299885	/nfs/dbraw/zinc/29/98/85/260299885.db2.gz	YRFDPDPPDPKILR-IRXDYDNUSA-N	1	0	365.416	1.698	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N2CCC([C@@H](O)c3ncc[nH]3)CC2)c1C#N	ZINC000369174857	260307564	/nfs/dbraw/zinc/30/75/64/260307564.db2.gz	RVYSMNCBBLNMBR-MRXNPFEDSA-N	1	0	360.439	1.724	20	30		FDEDRO
N#Cc1ncn(C2CCN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)CC2)n1	ZINC000369306207	260336596	/nfs/dbraw/zinc/33/65/96/260336596.db2.gz	OJSREJBMAYOTIY-GOSISDBHSA-N	1	0	364.453	1.978	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)Cc1cccc(C#N)c1	ZINC000370846554	260612490	/nfs/dbraw/zinc/61/24/90/260612490.db2.gz	MYDTYOQSBNBBBA-FGTMMUONSA-N	1	0	363.483	1.572	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000371027824	260646133	/nfs/dbraw/zinc/64/61/33/260646133.db2.gz	KZVZMODMVFZJMA-IBGZPJMESA-N	1	0	371.485	1.106	20	30		FDEDRO
CS(=O)(=O)N1CC[C@@H](C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)C1	ZINC000374875776	261217322	/nfs/dbraw/zinc/21/73/22/261217322.db2.gz	MAKZQTPZTNIHMC-INIZCTEOSA-N	1	0	363.483	1.683	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1=O)c1ccc(C#N)s1	ZINC000378573418	262047784	/nfs/dbraw/zinc/04/77/84/262047784.db2.gz	ZESIICOFXMSJAG-GDBMZVCRSA-N	1	0	362.499	1.594	20	30		FDEDRO
C[C@H](C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)n1cnc(C#N)n1	ZINC000409608964	262129277	/nfs/dbraw/zinc/12/92/77/262129277.db2.gz	TVCVESDWXKHTEO-CQSZACIVSA-N	1	0	370.482	1.941	20	30		FDEDRO
C[C@H](C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)n1cnc(C#N)n1	ZINC000409648099	262130562	/nfs/dbraw/zinc/13/05/62/262130562.db2.gz	ODXJMJZXMFVXKB-QLFBSQMISA-N	1	0	360.462	1.059	20	30		FDEDRO
C[C@@H](C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)n1cnc(C#N)n1	ZINC000409929518	262145924	/nfs/dbraw/zinc/14/59/24/262145924.db2.gz	KHASXCVBUMVNKJ-HNNXBMFYSA-N	1	0	360.462	1.062	20	30		FDEDRO
CC(C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1)[NH+]1CCCCC1	ZINC000972089483	782056459	/nfs/dbraw/zinc/05/64/59/782056459.db2.gz	YBIHIJFSHZLMHX-SFHLNBCPSA-N	1	0	371.525	1.970	20	30		FDEDRO
C=CCCn1cc(CN[C@H](CN2CC[NH+](C)CC2)c2ccccc2)nn1	ZINC000657344726	782097945	/nfs/dbraw/zinc/09/79/45/782097945.db2.gz	BETAAXUHCKXLIC-HXUWFJFHSA-N	1	0	354.502	1.933	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)c1C#N	ZINC000534792280	490410949	/nfs/dbraw/zinc/41/09/49/490410949.db2.gz	NTNWNSPGJHDUFB-ZDUSSCGKSA-N	1	0	372.473	1.553	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)nn1CCC#N	ZINC000504027719	490786189	/nfs/dbraw/zinc/78/61/89/490786189.db2.gz	YJVSTVMQUAVZDN-OAHLLOKOSA-N	1	0	360.462	1.280	20	30		FDEDRO
C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1	ZINC000515650121	490834841	/nfs/dbraw/zinc/83/48/41/490834841.db2.gz	JIYFQMNXRJFTQG-QWRGUYRKSA-N	1	0	374.832	1.578	20	30		FDEDRO
Cc1cc(NC(=O)[C@@H](C)SCC(=O)NC2(C#N)CC[NH+](C)CC2)no1	ZINC000518024957	490928573	/nfs/dbraw/zinc/92/85/73/490928573.db2.gz	CQMZXAUCLSFWRE-GFCCVEGCSA-N	1	0	365.459	1.147	20	30		FDEDRO
Cn1cc(C#N)c(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)n1	ZINC000618378887	492227211	/nfs/dbraw/zinc/22/72/11/492227211.db2.gz	XXHRHKAEJFJGFP-QGZVFWFLSA-N	1	0	368.441	1.570	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)c1C#N	ZINC000611166547	492280449	/nfs/dbraw/zinc/28/04/49/492280449.db2.gz	GJXHHKFUZPHQAE-AWEZNQCLSA-N	1	0	360.462	1.409	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1	ZINC000024804198	519017144	/nfs/dbraw/zinc/01/71/44/519017144.db2.gz	DYSIQKNSVODUHL-LSDHHAIUSA-N	1	0	358.442	1.737	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccc(O)cc3)CC2)cc1	ZINC000029630559	519306199	/nfs/dbraw/zinc/30/61/99/519306199.db2.gz	YDCQURCBESXKHM-LJQANCHMSA-N	1	0	353.422	1.826	20	30		FDEDRO
COCC[N@@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)CC(C)C	ZINC000029726340	519316929	/nfs/dbraw/zinc/31/69/29/519316929.db2.gz	XIPJTTLCXHKVDL-UHFFFAOYSA-N	1	0	363.462	1.108	20	30		FDEDRO
Cc1nc(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)ccc1C#N	ZINC000032760510	519535706	/nfs/dbraw/zinc/53/57/06/519535706.db2.gz	BKIDMHDMXHANDQ-UHFFFAOYSA-N	1	0	363.465	1.809	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(C(=O)N2CCOCC2)CC1	ZINC000042355830	519689520	/nfs/dbraw/zinc/68/95/20/519689520.db2.gz	MPQWUOPRHRHYDN-MRXNPFEDSA-N	1	0	351.491	1.370	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)Nc1ccc(N2CC[NH+](CC)CC2)cc1C	ZINC000056170432	521807718	/nfs/dbraw/zinc/80/77/18/521807718.db2.gz	QYTPJNHEYOIKAD-INIZCTEOSA-N	1	0	373.501	1.949	20	30		FDEDRO
CC(C)C(=O)N1CCC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000069609159	521923556	/nfs/dbraw/zinc/92/35/56/521923556.db2.gz	DMVQBFZVZUPBCB-GOSISDBHSA-N	1	0	359.470	1.683	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000069711952	521943489	/nfs/dbraw/zinc/94/34/89/521943489.db2.gz	TXGGTXLCBHMWSD-DLBZAZTESA-N	1	0	357.454	1.896	20	30		FDEDRO
C[C@H](CN1CCCC1=O)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000057017109	521978071	/nfs/dbraw/zinc/97/80/71/521978071.db2.gz	KPGPNIRCISGPSO-MRXNPFEDSA-N	1	0	371.485	1.642	20	30		FDEDRO
CN1CC[NH+](CC2CCN(C(=O)COc3ccccc3C#N)CC2)CC1	ZINC000057066676	521997580	/nfs/dbraw/zinc/99/75/80/521997580.db2.gz	BKKAOQKXWMALMQ-UHFFFAOYSA-N	1	0	356.470	1.423	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)CC1	ZINC000057154629	522015974	/nfs/dbraw/zinc/01/59/74/522015974.db2.gz	STDLELHVZSFZSC-UHFFFAOYSA-N	1	0	365.455	1.350	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)CC1	ZINC000057154323	522016459	/nfs/dbraw/zinc/01/64/59/522016459.db2.gz	UAFYYZFZMDYKAB-HXUWFJFHSA-N	1	0	355.482	1.521	20	30		FDEDRO
CC[C@@H](CO)[NH+]1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1	ZINC000072798548	522385123	/nfs/dbraw/zinc/38/51/23/522385123.db2.gz	KEKDXLXPGOYSSP-MSOLQXFVSA-N	1	0	358.486	1.710	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCN(C(N)=O)C1	ZINC000047011220	522422216	/nfs/dbraw/zinc/42/22/16/522422216.db2.gz	LLHGRHTYCITJAI-KRWDZBQOSA-N	1	0	357.458	1.239	20	30		FDEDRO
CC[NH+]1CCN(CC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000073514667	522541296	/nfs/dbraw/zinc/54/12/96/522541296.db2.gz	MLUKWWRFBLLUSL-QGZVFWFLSA-N	1	0	373.476	1.420	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)c3cccc(OC)c3)CC2)CC1	ZINC000050028553	522878633	/nfs/dbraw/zinc/87/86/33/522878633.db2.gz	SKZHLRAXPZLASY-UHFFFAOYSA-N	1	0	369.465	1.325	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1	ZINC000066222898	522989156	/nfs/dbraw/zinc/98/91/56/522989156.db2.gz	PDFBOYKQFJPQQG-INIZCTEOSA-N	1	0	370.453	1.981	20	30		FDEDRO
CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000076300735	523073822	/nfs/dbraw/zinc/07/38/22/523073822.db2.gz	NGVWSUBHBWEMBK-UHFFFAOYSA-N	1	0	356.348	1.972	20	30		FDEDRO
CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1CCOc1ccc(C#N)cc1	ZINC000052134328	523129197	/nfs/dbraw/zinc/12/91/97/523129197.db2.gz	DPDYYYMVQDYZRB-INIZCTEOSA-N	1	0	351.472	1.731	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1	ZINC000076541000	523131782	/nfs/dbraw/zinc/13/17/82/523131782.db2.gz	HWFZKAVXCSOUQY-KRWDZBQOSA-N	1	0	369.465	1.972	20	30		FDEDRO
CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC)C1	ZINC000076659543	523160521	/nfs/dbraw/zinc/16/05/21/523160521.db2.gz	UNFLKBNOBFDZPW-OAHLLOKOSA-N	1	0	358.442	1.696	20	30		FDEDRO
C=CCCC[N@@H+](C)CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C	ZINC000076736647	523179450	/nfs/dbraw/zinc/17/94/50/523179450.db2.gz	YJJKTLLCZSTYFI-ZDUSSCGKSA-N	1	0	351.472	1.510	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCCN(C(=O)c3ccsc3)CC2)CC1	ZINC000066921188	523266943	/nfs/dbraw/zinc/26/69/43/523266943.db2.gz	PJWFZCTURHTNIN-UHFFFAOYSA-N	1	0	359.495	1.768	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1c1c(C#N)c(=O)n(C)c(=O)n1C	ZINC000077236681	523274511	/nfs/dbraw/zinc/27/45/11/523274511.db2.gz	HQZSEWGQURSRMF-OAHLLOKOSA-N	1	0	367.453	1.056	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1	ZINC000077391941	523320688	/nfs/dbraw/zinc/32/06/88/523320688.db2.gz	YPABSBGPUJKEKO-QGZVFWFLSA-N	1	0	362.499	1.267	20	30		FDEDRO
Cn1c(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(C#N)c(=O)n(C)c1=O	ZINC000067384806	523417936	/nfs/dbraw/zinc/41/79/36/523417936.db2.gz	AFRKWRYPBFSGJO-MRXNPFEDSA-N	1	0	367.453	1.280	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000067435892	523447408	/nfs/dbraw/zinc/44/74/08/523447408.db2.gz	ABINDZOLKIJAQG-QGZVFWFLSA-N	1	0	350.488	1.578	20	30		FDEDRO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](C)C1	ZINC000077817427	523473894	/nfs/dbraw/zinc/47/38/94/523473894.db2.gz	JVDCDOOUJWQMGO-KBPBESRZSA-N	1	0	360.483	1.945	20	30		FDEDRO
Cn1c(NC2CC[NH+](Cc3ccccc3)CC2)c(C#N)c(=O)n(C)c1=O	ZINC000054358045	523623407	/nfs/dbraw/zinc/62/34/07/523623407.db2.gz	FXPWJYBKZLLBCK-UHFFFAOYSA-N	1	0	353.426	1.032	20	30		FDEDRO
C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCC(=O)NC(N)=O	ZINC000054374301	523628994	/nfs/dbraw/zinc/62/89/94/523628994.db2.gz	YPVISNRUXZTYPD-UHFFFAOYSA-N	1	0	366.491	1.170	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCCC[NH+]1CCCC1	ZINC000054846471	523707994	/nfs/dbraw/zinc/70/79/94/523707994.db2.gz	IIEUGRBNKLKXAC-UHFFFAOYSA-N	1	0	358.442	1.886	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1	ZINC000054994227	523732058	/nfs/dbraw/zinc/73/20/58/523732058.db2.gz	LUOOKHVTWRWYBT-JTDSTZFVSA-N	1	0	364.490	1.000	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1	ZINC000080019042	523820982	/nfs/dbraw/zinc/82/09/82/523820982.db2.gz	RKPNUGCSARNVDX-CYBMUJFWSA-N	1	0	360.845	1.797	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NCCCCC#N)CC1	ZINC000080115915	523836283	/nfs/dbraw/zinc/83/62/83/523836283.db2.gz	GYGUVNBUCZOJSJ-UHFFFAOYSA-N	1	0	351.495	1.606	20	30		FDEDRO
NC(=NOCc1noc(C2CC2)n1)c1ccccc1C[NH+]1CCC(O)CC1	ZINC000068776598	523856350	/nfs/dbraw/zinc/85/63/50/523856350.db2.gz	ZYEGDFOYNLLDJL-UHFFFAOYSA-N	1	0	371.441	1.741	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(CCC#N)Cc2ccccn2)C1	ZINC000081158933	523946783	/nfs/dbraw/zinc/94/67/83/523946783.db2.gz	RWBQAIMNJFKYTJ-LJQANCHMSA-N	1	0	373.501	1.270	20	30		FDEDRO
C[NH+](C)Cc1cccc(NC(=O)N(CCC#N)CCN2CCOCC2)c1	ZINC000172041645	524101021	/nfs/dbraw/zinc/10/10/21/524101021.db2.gz	YXUQIZOLYSPRDF-UHFFFAOYSA-N	1	0	359.474	1.828	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCN(C(=O)Cc3ccc(OCC#N)cc3)CC2)CCO1	ZINC000110816475	524141753	/nfs/dbraw/zinc/14/17/53/524141753.db2.gz	RLHIGCYDUBFHLP-INIZCTEOSA-N	1	0	357.454	1.843	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)CC1	ZINC000121122842	524157758	/nfs/dbraw/zinc/15/77/58/524157758.db2.gz	WQYUCSBRDQASRE-AWEZNQCLSA-N	1	0	371.445	1.403	20	30		FDEDRO
CC#CCNC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000135978790	524178433	/nfs/dbraw/zinc/17/84/33/524178433.db2.gz	VOYODQODOCWVRH-SFHVURJKSA-N	1	0	355.486	1.649	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(c3nccc(OCC)n3)CC2)CC1	ZINC000172264935	524186410	/nfs/dbraw/zinc/18/64/10/524186410.db2.gz	QVUUXQDORXMOHD-UHFFFAOYSA-N	1	0	374.489	1.357	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1	ZINC000172316727	524199565	/nfs/dbraw/zinc/19/95/65/524199565.db2.gz	NUSAQETVUVFJNR-UHFFFAOYSA-N	1	0	356.426	1.068	20	30		FDEDRO
C=CC[N@H+](C)CCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000121275891	524207660	/nfs/dbraw/zinc/20/76/60/524207660.db2.gz	VTHDVPNHENWKPD-UHFFFAOYSA-N	1	0	351.472	1.918	20	30		FDEDRO
C[NH+](C)CCn1nnnc1S[C@H]1CCN(c2sccc2C#N)C1=O	ZINC000083091901	524238950	/nfs/dbraw/zinc/23/89/50/524238950.db2.gz	NNSVNOKHNAMFDX-NSHDSACASA-N	1	0	363.472	1.065	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CCC(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000121395908	524246018	/nfs/dbraw/zinc/24/60/18/524246018.db2.gz	UWMLSBPYLQZFRG-UHFFFAOYSA-N	1	0	371.401	1.665	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1cc2c(cc1OC)C[C@@H](C)O2	ZINC000157414469	524269316	/nfs/dbraw/zinc/26/93/16/524269316.db2.gz	ACXRHDFPNWKOGR-CQSZACIVSA-N	1	0	362.474	1.016	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000121474197	524269823	/nfs/dbraw/zinc/26/98/23/524269823.db2.gz	FGWPIJWSWSXVKQ-ZDUSSCGKSA-N	1	0	374.401	1.076	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCC2(CC1)OCCO2	ZINC000139221171	524278001	/nfs/dbraw/zinc/27/80/01/524278001.db2.gz	XPAZYYACLABFNZ-UHFFFAOYSA-N	1	0	367.409	1.521	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1	ZINC000173220441	524346286	/nfs/dbraw/zinc/34/62/86/524346286.db2.gz	PGNKKQBILBHTRJ-QGZVFWFLSA-N	1	0	368.437	1.014	20	30		FDEDRO
Cc1nc2cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)ccc2o1	ZINC000122113031	524453068	/nfs/dbraw/zinc/45/30/68/524453068.db2.gz	LXCKAPYXCXZRFE-UHFFFAOYSA-N	1	0	357.414	1.769	20	30		FDEDRO
COc1c(F)cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc1F	ZINC000122117840	524455937	/nfs/dbraw/zinc/45/59/37/524455937.db2.gz	OBGAUFAKKLNKDL-UHFFFAOYSA-N	1	0	368.384	1.606	20	30		FDEDRO
C[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H](C(N)=O)O1	ZINC000122176887	524470815	/nfs/dbraw/zinc/47/08/15/524470815.db2.gz	JJZOAZACRISDCD-ZWNOBZJWSA-N	1	0	362.455	1.012	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(N[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)=[NH+]C[C@H]2C1	ZINC000089120924	524476645	/nfs/dbraw/zinc/47/66/45/524476645.db2.gz	QXXIQFVPGKEHPJ-XQLPTFJDSA-N	1	0	364.490	1.680	20	30		FDEDRO
Cc1ncc(CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)s1	ZINC000089120569	524477439	/nfs/dbraw/zinc/47/74/39/524477439.db2.gz	ZHWVKJJAXULTSR-GFCCVEGCSA-N	1	0	351.476	1.832	20	30		FDEDRO
NC(=[NH+]OCC(=O)NCC(F)(F)F)c1ccc(N2CCCCC2)cc1	ZINC000174129228	524516917	/nfs/dbraw/zinc/51/69/17/524516917.db2.gz	GLNXZFYJILSHGZ-UHFFFAOYSA-N	1	0	358.364	1.992	20	30		FDEDRO
CC(C)(CCC#N)C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000174314268	524538816	/nfs/dbraw/zinc/53/88/16/524538816.db2.gz	XWNLYPLFWHNGHJ-UHFFFAOYSA-N	1	0	354.432	1.793	20	30		FDEDRO
CCOc1cc(C#N)cc(Br)c1OCC(=O)NCC[NH+](C)C	ZINC000122831910	524624784	/nfs/dbraw/zinc/62/47/84/524624784.db2.gz	BMGMOQGTLGHJSO-UHFFFAOYSA-N	1	0	370.247	1.776	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N(C)Cc1cc(Br)cn1C	ZINC000151600613	524624975	/nfs/dbraw/zinc/62/49/75/524624975.db2.gz	AMDCXFCQWYNLHQ-JTQLQIEISA-N	1	0	357.252	1.620	20	30		FDEDRO
C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(C#N)c1	ZINC000151606522	524626130	/nfs/dbraw/zinc/62/61/30/524626130.db2.gz	OHAGXPNNGACLCC-IBGZPJMESA-N	1	0	364.449	1.577	20	30		FDEDRO
CC[C@@H](CO)[NH+]1CCN(Cc2c(C#N)c(C)nn2-c2ccccc2)CC1	ZINC000091070851	524633981	/nfs/dbraw/zinc/63/39/81/524633981.db2.gz	GEYKAGOHXJFNSY-KRWDZBQOSA-N	1	0	353.470	1.941	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)n1	ZINC000091187904	524651714	/nfs/dbraw/zinc/65/17/14/524651714.db2.gz	BAHVLDMNPMQQIT-UHFFFAOYSA-N	1	0	360.462	1.700	20	30		FDEDRO
N#Cc1cnc(N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cn1	ZINC000123063129	524672084	/nfs/dbraw/zinc/67/20/84/524672084.db2.gz	FNHMJDPHIRURSC-QGZVFWFLSA-N	1	0	363.469	1.782	20	30		FDEDRO
C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1	ZINC000113645850	524715415	/nfs/dbraw/zinc/71/54/15/524715415.db2.gz	JBGPBUYTACNZSM-GFCCVEGCSA-N	1	0	366.368	1.508	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCC1CC[NH+](C)CC1	ZINC000123446051	524752781	/nfs/dbraw/zinc/75/27/81/524752781.db2.gz	BYJNNIGCYOCJED-OAHLLOKOSA-N	1	0	371.489	1.300	20	30		FDEDRO
CN1CC[NH+]([C@@H]2CCCCN(CC(=O)NC3(C#N)CCCCC3)C2)CC1	ZINC000174892496	524779983	/nfs/dbraw/zinc/77/99/83/524779983.db2.gz	NPAIOZPQCRDPHV-GOSISDBHSA-N	1	0	361.534	1.431	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)CC1	ZINC000152218762	524817035	/nfs/dbraw/zinc/81/70/35/524817035.db2.gz	YURXXOPBTXYQRR-LJQANCHMSA-N	1	0	353.466	1.639	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)[C@H]1CN(C)CCO1	ZINC000152485990	524903472	/nfs/dbraw/zinc/90/34/72/524903472.db2.gz	XVDTXETVPOXSNC-QXAKKESOSA-N	1	0	371.485	1.125	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000152568930	524928763	/nfs/dbraw/zinc/92/87/63/524928763.db2.gz	RQISUVHIFUQYFT-MAUKXSAKSA-N	1	0	370.453	1.091	20	30		FDEDRO
N#Cc1ccc(C(F)(F)F)nc1NCCCC[NH+]1CCN(CCO)CC1	ZINC000115518183	525011333	/nfs/dbraw/zinc/01/13/33/525011333.db2.gz	ZDHGJWZSHKXHRX-UHFFFAOYSA-N	1	0	371.407	1.774	20	30		FDEDRO
CCO[C@H]1C[C@H](O)C12CC[NH+](C[C@H](O)COc1ccc(C#N)cc1)CC2	ZINC000152851498	525027640	/nfs/dbraw/zinc/02/76/40/525027640.db2.gz	DSCFEOLJWIXXEK-WDSOQIARSA-N	1	0	360.454	1.550	20	30		FDEDRO
N#CCCCS(=O)(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1	ZINC000161132231	525039209	/nfs/dbraw/zinc/03/92/09/525039209.db2.gz	NYTUOMRFYNMMFC-UHFFFAOYSA-N	1	0	351.472	1.366	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2ccccc2CS(C)(=O)=O)CC1	ZINC000176158641	525060249	/nfs/dbraw/zinc/06/02/49/525060249.db2.gz	RYGCXVDPKKWYBF-UHFFFAOYSA-N	1	0	365.499	1.681	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)CC1	ZINC000124753314	525067723	/nfs/dbraw/zinc/06/77/23/525067723.db2.gz	VZVHBTUBMWYZBA-UHFFFAOYSA-N	1	0	368.437	1.948	20	30		FDEDRO
N#CCCN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)CC1CC1	ZINC000176255936	525072825	/nfs/dbraw/zinc/07/28/25/525072825.db2.gz	CNZHCCIIYYSFNI-UHFFFAOYSA-N	1	0	374.460	1.904	20	30		FDEDRO
CC1CC[NH+](C[C@H](O)CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1	ZINC000161676159	525149379	/nfs/dbraw/zinc/14/93/79/525149379.db2.gz	RKLYGFMYQGEPLG-CQSZACIVSA-N	1	0	371.890	1.583	20	30		FDEDRO
CC1CC[NH+](C[C@H](O)CNS(=O)(=O)Cc2cccc(C#N)c2)CC1	ZINC000161682635	525151202	/nfs/dbraw/zinc/15/12/02/525151202.db2.gz	DECFDZZOGDKJLG-QGZVFWFLSA-N	1	0	351.472	1.070	20	30		FDEDRO
CCc1nnc(N2CCN(C(=O)C[NH+](CC)CC)CC2)c(C#N)c1CC	ZINC000125251037	525176346	/nfs/dbraw/zinc/17/63/46/525176346.db2.gz	PPFOPCMTNVZYFZ-UHFFFAOYSA-N	1	0	358.490	1.463	20	30		FDEDRO
N#CCCN(CCN1CCOCC1)C(=O)Nc1ccc(-n2cccn2)cc1	ZINC000176833455	525186517	/nfs/dbraw/zinc/18/65/17/525186517.db2.gz	FJQXILNRSZDFRV-UHFFFAOYSA-N	1	0	368.441	1.952	20	30		FDEDRO
CC[NH+]=C(NC[C@@H](O)c1ccc(C)cc1)N[C@H]1CCc2nc(C)nn2C1	ZINC000153381893	525196128	/nfs/dbraw/zinc/19/61/28/525196128.db2.gz	ZGFRRLLUGXJXPE-DLBZAZTESA-N	1	0	356.474	1.498	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccco1)C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000153430700	525211367	/nfs/dbraw/zinc/21/13/67/525211367.db2.gz	FCFUYMGDBPCXGR-UHFFFAOYSA-N	1	0	354.410	1.471	20	30		FDEDRO
COCCCNC(=O)C[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000101546022	525227605	/nfs/dbraw/zinc/22/76/05/525227605.db2.gz	LEZPPNUSWYSKLC-UHFFFAOYSA-N	1	0	366.849	1.625	20	30		FDEDRO
Cc1nn(C)c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1[N+](=O)[O-]	ZINC000125793619	525237193	/nfs/dbraw/zinc/23/71/93/525237193.db2.gz	AVKHZKGPRYVYHO-UHFFFAOYSA-N	1	0	370.413	1.712	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)[C@H]1CCC[N@H+](C)C1	ZINC000153573258	525252328	/nfs/dbraw/zinc/25/23/28/525252328.db2.gz	POAAAJQCFKJMIS-INIZCTEOSA-N	1	0	354.458	1.703	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1	ZINC000101921588	525260083	/nfs/dbraw/zinc/26/00/83/525260083.db2.gz	CYMSZTUAUMAPRN-CJNGLKHVSA-N	1	0	361.421	1.782	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCOc2ccccc21)N[C@H]1CCc2ncnn2C1	ZINC000126044059	525267911	/nfs/dbraw/zinc/26/79/11/525267911.db2.gz	QBAYNEBJKQMLOU-GJZGRUSLSA-N	1	0	354.458	1.714	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1	ZINC000126100493	525273479	/nfs/dbraw/zinc/27/34/79/525273479.db2.gz	JDSZRLAXDGGESK-CQSZACIVSA-N	1	0	367.515	1.857	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)CC[N@H+](C)C1CCN(C)CC1	ZINC000177375056	525283732	/nfs/dbraw/zinc/28/37/32/525283732.db2.gz	GGCOYRHUEQTGRB-KRWDZBQOSA-N	1	0	363.550	1.675	20	30		FDEDRO
C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000117077388	525285350	/nfs/dbraw/zinc/28/53/50/525285350.db2.gz	JXUNKEAJYXFMEA-INIZCTEOSA-N	1	0	358.486	1.843	20	30		FDEDRO
C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCC(C#N)CC3)c2)CC1	ZINC000177449925	525293316	/nfs/dbraw/zinc/29/33/16/525293316.db2.gz	RGFRRIVNNNDREY-UHFFFAOYSA-N	1	0	369.469	1.135	20	30		FDEDRO
C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000177447212	525293775	/nfs/dbraw/zinc/29/37/75/525293775.db2.gz	UYVIFNMHAUDWRV-WBVHZDCISA-N	1	0	352.442	1.929	20	30		FDEDRO
C[C@](C#N)(NC(=O)C[NH2+][C@H](CN1CCOCC1)c1ccccc1)C1CC1	ZINC000102700876	525301086	/nfs/dbraw/zinc/30/10/86/525301086.db2.gz	XLFTYWBHQCCKML-UYAOXDASSA-N	1	0	356.470	1.458	20	30		FDEDRO
C=C(C)CNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1	ZINC000126535595	525322540	/nfs/dbraw/zinc/32/25/40/525322540.db2.gz	UFXOFGKQZODNPL-KRWDZBQOSA-N	1	0	372.469	1.484	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1	ZINC000153811000	525332073	/nfs/dbraw/zinc/33/20/73/525332073.db2.gz	WAPRJSGIVNCUPL-UONOGXRCSA-N	1	0	352.479	1.259	20	30		FDEDRO
Cn1cc(S(=O)(=O)N2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)cn1	ZINC000153994285	525385785	/nfs/dbraw/zinc/38/57/85/525385785.db2.gz	FHYMEJKBXWNJNS-UHFFFAOYSA-N	1	0	359.455	1.235	20	30		FDEDRO
[NH2+]=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)N1CCOCC1	ZINC000104179792	525397227	/nfs/dbraw/zinc/39/72/27/525397227.db2.gz	CUYTVUCFCQVSIX-ZDUSSCGKSA-N	1	0	367.291	1.922	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NCCC(=O)Nc1ccc(Br)cc1	ZINC000104177206	525397754	/nfs/dbraw/zinc/39/77/54/525397754.db2.gz	OSSYIUAPGOGVPD-JTQLQIEISA-N	1	0	357.252	1.717	20	30		FDEDRO
C=CCC[C@H](O)C[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1	ZINC000127273175	525403388	/nfs/dbraw/zinc/40/33/88/525403388.db2.gz	IWOHJXKQDJIHJD-HOTGVXAUSA-N	1	0	356.463	1.896	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(C(=O)CNc3ccc(C#N)cc3)CC2)c1	ZINC000104520494	525414746	/nfs/dbraw/zinc/41/47/46/525414746.db2.gz	OHIKPIINESVHML-UHFFFAOYSA-N	1	0	351.410	1.723	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(N2CCOCC2)nc1	ZINC000178368295	525416650	/nfs/dbraw/zinc/41/66/50/525416650.db2.gz	GKYOCCWPBLNAKD-UHFFFAOYSA-N	1	0	360.462	1.617	20	30		FDEDRO
N#Cc1ncn(CC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)n1	ZINC000178538941	525443375	/nfs/dbraw/zinc/44/33/75/525443375.db2.gz	XSPAYYZBUXRBRX-UHFFFAOYSA-N	1	0	372.860	1.832	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1	ZINC000118112307	525453815	/nfs/dbraw/zinc/45/38/15/525453815.db2.gz	JKIZOCZSHZNEBX-INIZCTEOSA-N	1	0	357.454	1.874	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1	ZINC000127731885	525455334	/nfs/dbraw/zinc/45/53/34/525455334.db2.gz	AWLYPSZRWJHHCO-ZBFHGGJFSA-N	1	0	365.499	1.706	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)Cc2ccc(C#N)cc2)CC1=O	ZINC000105317319	525496295	/nfs/dbraw/zinc/49/62/95/525496295.db2.gz	HHUSQAVKQQCXAD-MOPGFXCFSA-N	1	0	368.481	1.849	20	30		FDEDRO
N#Cc1ccc(N2C(=O)C[C@H](N3CCC(N4CCCC4=O)CC3)C2=O)cc1	ZINC000105411767	525507727	/nfs/dbraw/zinc/50/77/27/525507727.db2.gz	PACOLSCZOORTBY-KRWDZBQOSA-N	1	0	366.421	1.277	20	30		FDEDRO
C[NH+]=C(NCCOc1ccc(F)c(F)c1)N[C@H]1CCCn2nc(C)nc21	ZINC000129716880	525685666	/nfs/dbraw/zinc/68/56/66/525685666.db2.gz	HSDMZCIHUMTTNU-HNNXBMFYSA-N	1	0	364.400	1.944	20	30		FDEDRO
N#CCCCS(=O)(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO	ZINC000180377169	525698566	/nfs/dbraw/zinc/69/85/66/525698566.db2.gz	JGFIGUMCVUQEFD-QGZVFWFLSA-N	1	0	351.472	1.366	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-n3ccnn3)cc2)CC1	ZINC000106349068	525698924	/nfs/dbraw/zinc/69/89/24/525698924.db2.gz	KHTALTQHWGKAMT-UHFFFAOYSA-N	1	0	368.441	1.363	20	30		FDEDRO
C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000155137420	525757884	/nfs/dbraw/zinc/75/78/84/525757884.db2.gz	BKYRPYZVUCASKR-AWEZNQCLSA-N	1	0	353.488	1.279	20	30		FDEDRO
[NH2+]=C(NCc1cccc(OCCN2CCOCC2)c1)Nc1ccccn1	ZINC000170911488	525766784	/nfs/dbraw/zinc/76/67/84/525766784.db2.gz	JKZDOSYOPVVCHS-UHFFFAOYSA-N	1	0	355.442	1.719	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCCN2CCOCC2(C)C)cc1OC	ZINC000170914950	525767463	/nfs/dbraw/zinc/76/74/63/525767463.db2.gz	XIUBKRCOYXJDEV-UHFFFAOYSA-N	1	0	350.463	1.219	20	30		FDEDRO
CC[NH+](CC)CCN(CCOC)C(=O)C(=O)Nc1cc(C#N)ccc1C	ZINC000170938355	525779855	/nfs/dbraw/zinc/77/98/55/525779855.db2.gz	RBRWXGSINKBPKI-UHFFFAOYSA-N	1	0	360.458	1.622	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000130903455	525807725	/nfs/dbraw/zinc/80/77/25/525807725.db2.gz	ZGDJIRCLSPTLRF-UHFFFAOYSA-N	1	0	353.470	1.828	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](CO)c2cccc(Br)c2)CC1	ZINC000181132031	525811736	/nfs/dbraw/zinc/81/17/36/525811736.db2.gz	WUJHIDOSUCHQAO-MRXNPFEDSA-N	1	0	365.271	1.944	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1	ZINC000181173361	525815845	/nfs/dbraw/zinc/81/58/45/525815845.db2.gz	MMTDSNRHMFAEAQ-OALUTQOASA-N	1	0	370.497	1.985	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccccc2OCC#N)CC1	ZINC000107283981	525859268	/nfs/dbraw/zinc/85/92/68/525859268.db2.gz	KVSSIFFDELKUDI-QGZVFWFLSA-N	1	0	356.470	1.831	20	30		FDEDRO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[NH+](CC(C)(C)O)CC1	ZINC000171150139	525871472	/nfs/dbraw/zinc/87/14/72/525871472.db2.gz	GVJGAGYFOKGIKU-GNZRSQJKSA-N	1	0	364.534	1.694	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1	ZINC000107407192	525888018	/nfs/dbraw/zinc/88/80/18/525888018.db2.gz	AQLJCMWFRZYLAK-LJQANCHMSA-N	1	0	368.481	1.235	20	30		FDEDRO
COCC[N@H+](C)CCNC(=O)N1CCCN(c2ccccc2C#N)CC1	ZINC000171212380	525900603	/nfs/dbraw/zinc/90/06/03/525900603.db2.gz	YKTIZYVDPYEFKZ-UHFFFAOYSA-N	1	0	359.474	1.358	20	30		FDEDRO
N#Cc1ccc(OCC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1	ZINC000119899109	525902676	/nfs/dbraw/zinc/90/26/76/525902676.db2.gz	JOVUEDKSBHZOHS-LJQANCHMSA-N	1	0	365.433	1.472	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C[C@H](O)c1ccc(F)cc1F	ZINC000155577426	525910504	/nfs/dbraw/zinc/91/05/04/525910504.db2.gz	FCOKOYNVOFJASU-SJCJKPOMSA-N	1	0	359.380	1.871	20	30		FDEDRO
C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1	ZINC000132166359	525941925	/nfs/dbraw/zinc/94/19/25/525941925.db2.gz	FCGNYKNYWLSJIS-HNNXBMFYSA-N	1	0	374.510	1.977	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1	ZINC000181899896	525974364	/nfs/dbraw/zinc/97/43/64/525974364.db2.gz	VRIHPHBJXIEFBA-ILXRZTDVSA-N	1	0	358.442	1.905	20	30		FDEDRO
C[NH+](C)CCCOc1ccc(CNS(=O)(=O)c2ccc(C#N)nc2)cc1	ZINC000171431083	525990714	/nfs/dbraw/zinc/99/07/14/525990714.db2.gz	UGIUPXXSOHAVPY-UHFFFAOYSA-N	1	0	374.466	1.762	20	30		FDEDRO
N#CCC[C@H](NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1	ZINC000132770385	525992940	/nfs/dbraw/zinc/99/29/40/525992940.db2.gz	OCXKJWJVLLRJRB-ROUUACIJSA-N	1	0	371.485	1.918	20	30		FDEDRO
C[C@@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1cccc(C#N)c1	ZINC000181948600	525994603	/nfs/dbraw/zinc/99/46/03/525994603.db2.gz	DUYGSHOWKJNNHX-PBHICJAKSA-N	1	0	351.472	1.697	20	30		FDEDRO
C[C@@H](c1nnc(SCC(=O)NCC#N)n1-c1ccc(F)cc1)N(C)C	ZINC000108659323	526009324	/nfs/dbraw/zinc/00/93/24/526009324.db2.gz	KLENSZPDLDCUCA-NSHDSACASA-N	1	0	362.434	1.761	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cc(C3CC3)nn2-c2ncccn2)CC1	ZINC000108729278	526017080	/nfs/dbraw/zinc/01/70/80/526017080.db2.gz	LJXHVIDBEJRWFT-UHFFFAOYSA-N	1	0	350.426	1.823	20	30		FDEDRO
CCNC(=O)N1CC[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000182018048	526022121	/nfs/dbraw/zinc/02/21/21/526022121.db2.gz	KWVGUVLJXJSAMR-LJQANCHMSA-N	1	0	355.486	1.916	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([NH+]3CCC(Cn4ccnn4)CC3)C2=O)cc1	ZINC000155990150	526026803	/nfs/dbraw/zinc/02/68/03/526026803.db2.gz	RJIUGPIXEDUXOS-SFHVURJKSA-N	1	0	350.426	1.667	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2ccc(CS(N)(=O)=O)cc2)CC1	ZINC000171566517	526038742	/nfs/dbraw/zinc/03/87/42/526038742.db2.gz	NHOOKOPFMJPEOS-UHFFFAOYSA-N	1	0	351.472	1.245	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3c(cc2F)NC(=O)CC3)c1C#N	ZINC000133489104	526065926	/nfs/dbraw/zinc/06/59/26/526065926.db2.gz	YWLQWLQIOOIRDP-UHFFFAOYSA-N	1	0	370.388	1.709	20	30		FDEDRO
COc1cc(C#N)ccc1CN1CCN(CC(=O)Nc2cc(C)on2)CC1	ZINC000120505298	526088989	/nfs/dbraw/zinc/08/89/89/526088989.db2.gz	GMUUVRVFOWJQKN-UHFFFAOYSA-N	1	0	369.425	1.620	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC2CC[NH+](CC=C)CC2)cc1	ZINC000171726795	526095157	/nfs/dbraw/zinc/09/51/57/526095157.db2.gz	ZOCJTKAOKGSSOP-UHFFFAOYSA-N	1	0	363.483	1.531	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)CC1	ZINC000171723957	526095761	/nfs/dbraw/zinc/09/57/61/526095761.db2.gz	WGLGZFXFRNKDGC-UHFFFAOYSA-N	1	0	356.426	1.119	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2ccccc2C(=O)N2CCOCC2)CC1	ZINC000171736761	526101388	/nfs/dbraw/zinc/10/13/88/526101388.db2.gz	JTCHXCQALDNFHO-UHFFFAOYSA-N	1	0	372.469	1.931	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccccc1C#N)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1	ZINC000109754320	526176298	/nfs/dbraw/zinc/17/62/98/526176298.db2.gz	HWVMJBGNFPZRSX-HKUYNNGSSA-N	1	0	369.513	1.987	20	30		FDEDRO
CCC[N@H+](CCO)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000183161213	535931546	/nfs/dbraw/zinc/93/15/46/535931546.db2.gz	NJSUJQUYZGIFET-OAHLLOKOSA-N	1	0	350.488	1.161	20	30		FDEDRO
C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C	ZINC000183177455	535936229	/nfs/dbraw/zinc/93/62/29/535936229.db2.gz	OLTOMKVUXWQWBN-INIZCTEOSA-N	1	0	374.485	1.129	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)c(Cl)c1	ZINC000183682300	536029189	/nfs/dbraw/zinc/02/91/89/536029189.db2.gz	DDPMUTWOWMJACS-ZDUSSCGKSA-N	1	0	357.863	1.337	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c(Cl)c1	ZINC000183699556	536032216	/nfs/dbraw/zinc/03/22/16/536032216.db2.gz	NIUJHDVWKWTHLJ-CQSZACIVSA-N	1	0	371.890	1.727	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CCN2CCCN(c3ccccn3)CC2)c1	ZINC000183821072	536053227	/nfs/dbraw/zinc/05/32/27/536053227.db2.gz	SVSOIXBOICYBTF-UHFFFAOYSA-N	1	0	370.478	1.939	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2ccccc2CN2CCNC2=O)CC1	ZINC000183954863	536071680	/nfs/dbraw/zinc/07/16/80/536071680.db2.gz	ODTXGBGNILUOPV-UHFFFAOYSA-N	1	0	357.458	1.984	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1	ZINC000184179168	536108479	/nfs/dbraw/zinc/10/84/79/536108479.db2.gz	OAXWUORBZGSUID-UHFFFAOYSA-N	1	0	374.485	1.478	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1	ZINC000184308354	536130634	/nfs/dbraw/zinc/13/06/34/536130634.db2.gz	JRBRUPDIGZEPIF-INIZCTEOSA-N	1	0	357.454	1.874	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1	ZINC000184414795	536148953	/nfs/dbraw/zinc/14/89/53/536148953.db2.gz	JOOARPMKGXQVES-OAHLLOKOSA-N	1	0	362.449	1.985	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)N(C)C)nc2)CC1	ZINC000184430388	536150147	/nfs/dbraw/zinc/15/01/47/536150147.db2.gz	KYRNPGYGYFVXAB-UHFFFAOYSA-N	1	0	366.487	1.102	20	30		FDEDRO
C=CC[C@@H](CO)NC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000186067930	536224620	/nfs/dbraw/zinc/22/46/20/536224620.db2.gz	IRBLCDPXPSLYGV-ROUUACIJSA-N	1	0	374.485	1.120	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](C(=O)OC)c2ccc3c(c2)CCO3)CC1	ZINC000187072871	536253972	/nfs/dbraw/zinc/25/39/72/536253972.db2.gz	UCQZZMIRJCTDKH-SFHVURJKSA-N	1	0	356.422	1.297	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)CC2(O)CCCCCC2)CC1	ZINC000187327750	536262210	/nfs/dbraw/zinc/26/22/10/536262210.db2.gz	FUDVYNIIDZFSRW-SFHVURJKSA-N	1	0	364.534	1.696	20	30		FDEDRO
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C	ZINC000187930111	536278239	/nfs/dbraw/zinc/27/82/39/536278239.db2.gz	IEJATDKUIADFKF-FQEVSTJZSA-N	1	0	361.486	1.906	20	30		FDEDRO
C[C@H]1C[C@@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)CC[NH2+]1	ZINC000262806209	536906355	/nfs/dbraw/zinc/90/63/55/536906355.db2.gz	SHEKSROWYCXFIS-CABZTGNLSA-N	1	0	358.261	1.740	20	30		FDEDRO
C[NH+]=C(NCc1ncccc1C)N1CCS(=O)(=O)C2(CCCCC2)C1	ZINC000262814676	536909474	/nfs/dbraw/zinc/90/94/74/536909474.db2.gz	WHGRKJWHNILHQG-UHFFFAOYSA-N	1	0	364.515	1.899	20	30		FDEDRO
C[NH+]=C(NC[C@@](C)(O)c1ccco1)N[C@H]1CCc2nnc(C(C)C)n2C1	ZINC000262822456	536910785	/nfs/dbraw/zinc/91/07/85/536910785.db2.gz	XHLMQTDBLWEDTO-SCLBCKFNSA-N	1	0	360.462	1.382	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N(C)Cc1ccc(OC)cc1	ZINC000262822640	536911062	/nfs/dbraw/zinc/91/10/62/536911062.db2.gz	XMBZEWNMAZCPAQ-INIZCTEOSA-N	1	0	356.474	1.865	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1	ZINC000188611035	536911926	/nfs/dbraw/zinc/91/19/26/536911926.db2.gz	XPVIISCVMIPWQZ-ZDUSSCGKSA-N	1	0	374.485	1.100	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(Cn3cncn3)c2)CC1	ZINC000266675560	536916540	/nfs/dbraw/zinc/91/65/40/536916540.db2.gz	JTRFXRUBCNJNNW-UHFFFAOYSA-N	1	0	368.441	1.032	20	30		FDEDRO
C[NH+](C)CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1	ZINC000188696550	536930370	/nfs/dbraw/zinc/93/03/70/536930370.db2.gz	PKMIICBREZSKEC-UHFFFAOYSA-N	1	0	352.394	1.967	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc3c(cc2F)NC(=O)CC3)CC1	ZINC000188814447	536954508	/nfs/dbraw/zinc/95/45/08/536954508.db2.gz	CTYJKYLKKZYZFM-UHFFFAOYSA-N	1	0	374.416	1.416	20	30		FDEDRO
COc1cc(OC)cc([C@@H](O)CNC(=[NH2+])NCc2ccccc2OC)c1	ZINC000267386378	536972603	/nfs/dbraw/zinc/97/26/03/536972603.db2.gz	BOJJOUHKAFYWNK-KRWDZBQOSA-N	1	0	359.426	1.850	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H](N2CC[C@@H](C[NH+]3CCOCC3)C2)C1=O	ZINC000246596522	536988505	/nfs/dbraw/zinc/98/85/05/536988505.db2.gz	XDNURKRBIZZDLR-HOCLYGCPSA-N	1	0	360.483	1.379	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@@H](Cn4ccnn4)C3)C2=O)cc1	ZINC000246729398	537013877	/nfs/dbraw/zinc/01/38/77/537013877.db2.gz	OPXDDEWYZRKCET-SJLPKXTDSA-N	1	0	350.426	1.667	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1	ZINC000269346468	537020417	/nfs/dbraw/zinc/02/04/17/537020417.db2.gz	QTTOIKPCONVEJF-IBGZPJMESA-N	1	0	371.441	1.049	20	30		FDEDRO
C=CCN(CCOC)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1	ZINC000189319839	537027634	/nfs/dbraw/zinc/02/76/34/537027634.db2.gz	NALYCCFLKMGMFG-UHFFFAOYSA-N	1	0	352.523	1.781	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H](N2CCOCC2)C1	ZINC000246853750	537040032	/nfs/dbraw/zinc/04/00/32/537040032.db2.gz	FBMMCBJEWFIFQU-VQIMIIECSA-N	1	0	374.460	1.867	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CCN3C(=O)COC)CC1	ZINC000189518934	537059317	/nfs/dbraw/zinc/05/93/17/537059317.db2.gz	ZHRQYIGHGVBGSL-UHFFFAOYSA-N	1	0	372.469	1.994	20	30		FDEDRO
Cc1ccc([C@H](CNc2c(C#N)c(=O)n(C)c(=O)n2C)[NH+]2CCCC2)o1	ZINC000263757728	537090008	/nfs/dbraw/zinc/09/00/08/537090008.db2.gz	UDVAILDPZYBMAS-AWEZNQCLSA-N	1	0	357.414	1.106	20	30		FDEDRO
C[C@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC[N@@H+]1CC(C)(C)O	ZINC000189955840	537120819	/nfs/dbraw/zinc/12/08/19/537120819.db2.gz	DQBOPJUTCMKITR-AWEZNQCLSA-N	1	0	355.442	1.885	20	30		FDEDRO
CCO[C@@H]1C[C@@](CO)([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1(C)C	ZINC000190016279	537128042	/nfs/dbraw/zinc/12/80/42/537128042.db2.gz	ZKXFOHQRLWGDDH-AEFFLSMTSA-N	1	0	366.483	1.488	20	30		FDEDRO
Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CCO[C@@H](C#N)C2)CC1	ZINC000247577491	537137144	/nfs/dbraw/zinc/13/71/44/537137144.db2.gz	IAADPLVUZPSMIP-IBGZPJMESA-N	1	0	356.470	1.254	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C[C@H](NC(N)=O)c1cccs1	ZINC000264299643	537140587	/nfs/dbraw/zinc/14/05/87/537140587.db2.gz	YPAPRGYPVUUBMQ-ZDUSSCGKSA-N	1	0	351.476	1.542	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NCCc1ccc(I)s1	ZINC000264299356	537140820	/nfs/dbraw/zinc/14/08/20/537140820.db2.gz	RJLQISIRAHQHNA-QMMMGPOBSA-N	1	0	367.256	1.834	20	30		FDEDRO
COc1cc(/C=C/C(=O)NCC[NH+]2CCSCC2)ccc1OCC#N	ZINC000264849459	537148382	/nfs/dbraw/zinc/14/83/82/537148382.db2.gz	ZLHGMOHNHIVMCP-HWKANZROSA-N	1	0	361.467	1.776	20	30		FDEDRO
C#C[C@@H](C)NC(=O)C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000190285973	537161284	/nfs/dbraw/zinc/16/12/84/537161284.db2.gz	OAUHIOAABYRBBA-WBVHZDCISA-N	1	0	365.437	1.407	20	30		FDEDRO
C[NH+](C)[C@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000190287586	537161452	/nfs/dbraw/zinc/16/14/52/537161452.db2.gz	VJQDOOGOHDAZHC-ZWKOTPCHSA-N	1	0	369.469	1.395	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1	ZINC000248231122	537171032	/nfs/dbraw/zinc/17/10/32/537171032.db2.gz	BTFNKWUYVHRLAU-VSZNYVQBSA-N	1	0	350.507	1.568	20	30		FDEDRO
C#CCN(CC#C)C(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1	ZINC000190443559	537173348	/nfs/dbraw/zinc/17/33/48/537173348.db2.gz	PWPQHGRTZHSMSL-UHFFFAOYSA-N	1	0	351.450	1.952	20	30		FDEDRO
C[N@H+]1C[C@H]2CN(CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)C[C@H]2C1	ZINC000193608625	537252561	/nfs/dbraw/zinc/25/25/61/537252561.db2.gz	DOZJAVBNMBWJOD-IYBDPMFKSA-N	1	0	365.399	1.667	20	30		FDEDRO
C[NH+]=C(NC[C@]1(O)CCc2ccccc21)N1CCN(c2ncccn2)CC1	ZINC000261798287	537253041	/nfs/dbraw/zinc/25/30/41/537253041.db2.gz	VRAPPGUIBJCSAC-HXUWFJFHSA-N	1	0	366.469	1.008	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(C(F)(F)F)cn1	ZINC000194066611	537258622	/nfs/dbraw/zinc/25/86/22/537258622.db2.gz	PGDGLFUYCGVYAW-UHFFFAOYSA-N	1	0	371.363	1.733	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)nc1	ZINC000292982147	537271653	/nfs/dbraw/zinc/27/16/53/537271653.db2.gz	HRNSVJRYHLMWHY-QGZVFWFLSA-N	1	0	363.421	1.845	20	30		FDEDRO
CCc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C#N)cn2)[NH+](C)C)cc1	ZINC000292999961	537281938	/nfs/dbraw/zinc/28/19/38/537281938.db2.gz	JKWSWQFCPWDPJW-KRWDZBQOSA-N	1	0	365.437	1.873	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1	ZINC000282249446	537287791	/nfs/dbraw/zinc/28/77/91/537287791.db2.gz	FKRMISXHVRVWJL-ZMSDIMECSA-N	1	0	350.488	1.718	20	30		FDEDRO
CC[NH+](CC)CCN(CCOC)C(=O)C(=O)Nc1ccc(C#N)c(F)c1	ZINC000290228090	537294074	/nfs/dbraw/zinc/29/40/74/537294074.db2.gz	KNCZXQKCJDAILE-UHFFFAOYSA-N	1	0	364.421	1.453	20	30		FDEDRO
C#CCN(CC#C)C(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1	ZINC000276144176	537300601	/nfs/dbraw/zinc/30/06/01/537300601.db2.gz	JGUPSDMYCMGATF-UHFFFAOYSA-N	1	0	351.450	1.749	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1	ZINC000282309995	537309902	/nfs/dbraw/zinc/30/99/02/537309902.db2.gz	NGQCNDBJBWBDGN-CRAIPNDOSA-N	1	0	364.515	1.965	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cnn(CC[NH+]2CCCCC2)c1	ZINC000363848915	537343189	/nfs/dbraw/zinc/34/31/89/537343189.db2.gz	CAHLJAIRQWIVAK-OAHLLOKOSA-N	1	0	360.462	1.316	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1	ZINC000333058437	537346309	/nfs/dbraw/zinc/34/63/09/537346309.db2.gz	CWCHTRSWWXIHFW-OWSLCNJRSA-N	1	0	351.491	1.787	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C	ZINC000283100933	537355549	/nfs/dbraw/zinc/35/55/49/537355549.db2.gz	HLLMVKIDJXXGNA-SJORKVTESA-N	1	0	357.454	1.563	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(C(=O)OC)c(Cl)c1	ZINC000293203346	537388741	/nfs/dbraw/zinc/38/87/41/537388741.db2.gz	APFVMMXFPGQPPU-UHFFFAOYSA-N	1	0	365.817	1.136	20	30		FDEDRO
CC(C)(C#N)C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000364066378	537388982	/nfs/dbraw/zinc/38/89/82/537388982.db2.gz	XJTIWWVGYZAVKE-KRWDZBQOSA-N	1	0	355.486	1.992	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(C(=O)c2cc(C3CC3)cnc2Cl)CC1	ZINC000280584359	537433966	/nfs/dbraw/zinc/43/39/66/537433966.db2.gz	SHINGRREKFTWTK-UHFFFAOYSA-N	1	0	374.872	1.510	20	30		FDEDRO
CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cc(C)n(CCC#N)n1	ZINC000276353002	537443976	/nfs/dbraw/zinc/44/39/76/537443976.db2.gz	RQGIWCNJPPOZQE-UHFFFAOYSA-N	1	0	360.462	1.378	20	30		FDEDRO
CS[C@@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)C[C@H]1[NH+]1CCCC1	ZINC000273525376	537457857	/nfs/dbraw/zinc/45/78/57/537457857.db2.gz	QFAHDQWOXHNPLD-CRAIPNDOSA-N	1	0	358.463	1.805	20	30		FDEDRO
Cc1cc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)nn1CCC#N	ZINC000272071329	537521809	/nfs/dbraw/zinc/52/18/09/537521809.db2.gz	KLOSKNTVXDOLLG-JKSUJKDBSA-N	1	0	360.462	1.605	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(OCC(=O)OC)cc1	ZINC000274844541	537533198	/nfs/dbraw/zinc/53/31/98/537533198.db2.gz	DTCBEJAILBDOJU-ZDUSSCGKSA-N	1	0	363.414	1.071	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1CNS(=O)(=O)c1cncc(C#N)c1	ZINC000289816434	537589165	/nfs/dbraw/zinc/58/91/65/537589165.db2.gz	NVKUUAAFLYBIKO-UHFFFAOYSA-N	1	0	360.439	1.372	20	30		FDEDRO
C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cnc(C(F)(F)F)c(C#N)c3)[C@@H]2C1	ZINC000293793314	537590679	/nfs/dbraw/zinc/59/06/79/537590679.db2.gz	CQIBLMSTAFZLTP-CHWSQXEVSA-N	1	0	354.332	1.517	20	30		FDEDRO
[NH2+]=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCCCC1	ZINC000303989433	537598269	/nfs/dbraw/zinc/59/82/69/537598269.db2.gz	XOJRYJAHRMNYSY-UHFFFAOYSA-N	1	0	364.515	1.888	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NC[C@@H](N2CCOCC2)C(F)(F)F)cc1	ZINC000285072545	537604301	/nfs/dbraw/zinc/60/43/01/537604301.db2.gz	MQKSVEVMHGNQQE-OAHLLOKOSA-N	1	0	374.407	1.405	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c1	ZINC000237477189	537629885	/nfs/dbraw/zinc/62/98/85/537629885.db2.gz	NWQMQIRMQDFIGK-DZGCQCFKSA-N	1	0	351.472	1.350	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@H]1CCCN1c1ncnc2sccc21	ZINC000293953054	537630780	/nfs/dbraw/zinc/63/07/80/537630780.db2.gz	KEGLTENSZBSHKS-OAHLLOKOSA-N	1	0	357.483	1.731	20	30		FDEDRO
C[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)N1CCN(C)CC1	ZINC000329163584	537634909	/nfs/dbraw/zinc/63/49/09/537634909.db2.gz	GJBPFUZQDCAACA-XYJFISCASA-N	1	0	362.522	1.395	20	30		FDEDRO
CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN(Cc3cscn3)CC2)C1	ZINC000329832880	537643295	/nfs/dbraw/zinc/64/32/95/537643295.db2.gz	UDJJNORCEFHGFW-GDBMZVCRSA-N	1	0	351.520	1.903	20	30		FDEDRO
CN1CCO[C@H]2CN(C(=O)Nc3cccc(N4CCCNC4=O)c3)C[C@H]21	ZINC000329916164	537644688	/nfs/dbraw/zinc/64/46/88/537644688.db2.gz	DMVPOYVDUXPCTB-CVEARBPZSA-N	1	0	359.430	1.371	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1nn(CC(C)C)c(=O)c2ccccc21	ZINC000294042291	537645734	/nfs/dbraw/zinc/64/57/34/537645734.db2.gz	SONNZHFOKCTZIN-UHFFFAOYSA-N	1	0	354.454	1.737	20	30		FDEDRO
Cc1c(NC(=O)N(C)C)cccc1NC(=O)N1C[C@@H]2[C@H](C1)OCCN2C	ZINC000329922741	537646865	/nfs/dbraw/zinc/64/68/65/537646865.db2.gz	UBLBPLVJYXHLCX-CVEARBPZSA-N	1	0	361.446	1.662	20	30		FDEDRO
CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCN(C)[C@H](c2nccn2C)C1	ZINC000329955850	537647746	/nfs/dbraw/zinc/64/77/46/537647746.db2.gz	KYYWBUBZVHFYGL-SJORKVTESA-N	1	0	362.522	1.887	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCOC[C@@H](C3CCC3)C2)CC1	ZINC000330222959	537651854	/nfs/dbraw/zinc/65/18/54/537651854.db2.gz	AAORGUHPGQSLQP-OALUTQOASA-N	1	0	362.518	1.427	20	30		FDEDRO
Cc1cnn(-c2c(C(=O)NC[C@@H](C)CN3CCOCC3)c(C)nn2C)c1	ZINC000330232205	537653211	/nfs/dbraw/zinc/65/32/11/537653211.db2.gz	RJJRJACOSDNQRN-CYBMUJFWSA-N	1	0	360.462	1.496	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](CCO)C2CCCCC2)nc1	ZINC000290036527	537655263	/nfs/dbraw/zinc/65/52/63/537655263.db2.gz	UKTAKHLPUQDNIV-MRXNPFEDSA-N	1	0	351.472	1.648	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(C#N)cn1	ZINC000294114959	537660498	/nfs/dbraw/zinc/66/04/98/537660498.db2.gz	OONCMUKIYHHHKO-UHFFFAOYSA-N	1	0	357.439	1.544	20	30		FDEDRO
CN(C)S(=O)(=O)c1cc(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)co1	ZINC000330997691	537663889	/nfs/dbraw/zinc/66/38/89/537663889.db2.gz	VHJAVLHAQLONBV-UHFFFAOYSA-N	1	0	357.476	1.957	20	30		FDEDRO
C=CC[C@H]1[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CCCC1(C)C	ZINC000332574688	537667551	/nfs/dbraw/zinc/66/75/51/537667551.db2.gz	XTJJYCDYUBONGW-OAHLLOKOSA-N	1	0	373.501	1.891	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1	ZINC000290088480	537668484	/nfs/dbraw/zinc/66/84/84/537668484.db2.gz	DOVJDAGSWFTIKE-UHFFFAOYSA-N	1	0	354.454	1.507	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1	ZINC000291817924	537680052	/nfs/dbraw/zinc/68/00/52/537680052.db2.gz	NSIBVRQUVBKQJB-JXFKEZNVSA-N	1	0	359.470	1.704	20	30		FDEDRO
N#CCCOCC[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1	ZINC000294406945	537691879	/nfs/dbraw/zinc/69/18/79/537691879.db2.gz	CTTHZXYGQQJUPY-UHFFFAOYSA-N	1	0	358.402	1.913	20	30		FDEDRO
CC1(C)OCC[C@H]1[NH2+]CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000295319687	537712435	/nfs/dbraw/zinc/71/24/35/537712435.db2.gz	WHSHZRUIZKURMS-QZTJIDSGSA-N	1	0	374.460	1.692	20	30		FDEDRO
C=CCC(F)(F)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC[NH+](C)C	ZINC000298225556	537717854	/nfs/dbraw/zinc/71/78/54/537717854.db2.gz	ASBPLHIEPZYRTC-INIZCTEOSA-N	1	0	365.424	1.829	20	30		FDEDRO
N#Cc1ccc(OC2CC[NH+](CCCN3C(=O)CNC3=O)CC2)c(F)c1	ZINC000285569830	537731286	/nfs/dbraw/zinc/73/12/86/537731286.db2.gz	UDHRFJHVCSMKRD-UHFFFAOYSA-N	1	0	360.389	1.482	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](COC)c2ccccc2)CC1	ZINC000285713715	537749411	/nfs/dbraw/zinc/74/94/11/537749411.db2.gz	ARAMRDWAAKZZFQ-SFHVURJKSA-N	1	0	359.470	1.647	20	30		FDEDRO
CC(C)[NH+]1CCN([C@H]2CCN(CC(=O)NCc3cccc(C#N)c3)C2)CC1	ZINC000375902367	537795567	/nfs/dbraw/zinc/79/55/67/537795567.db2.gz	FILJUNQWYCGZRY-FQEVSTJZSA-N	1	0	369.513	1.275	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1	ZINC000407960717	537813152	/nfs/dbraw/zinc/81/31/52/537813152.db2.gz	ZHLCGYSKLJQSMP-CQSZACIVSA-N	1	0	351.476	1.489	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1	ZINC000408018008	537814056	/nfs/dbraw/zinc/81/40/56/537814056.db2.gz	XDFSCZORFKLYFH-UHFFFAOYSA-N	1	0	362.499	1.599	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@@H]1CO	ZINC000366701137	537824544	/nfs/dbraw/zinc/82/45/44/537824544.db2.gz	LGLLXHTXWZIQIT-XDNAFOTISA-N	1	0	351.491	1.598	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1	ZINC000418912480	537843393	/nfs/dbraw/zinc/84/33/93/537843393.db2.gz	DDGUYLWJQLEBCF-HNNXBMFYSA-N	1	0	374.510	1.414	20	30		FDEDRO
CCOC(=O)NCCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000376181650	537846540	/nfs/dbraw/zinc/84/65/40/537846540.db2.gz	NDRONHFTPPQYBH-UHFFFAOYSA-N	1	0	358.442	1.797	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC2CCN(C(=O)c3cccc(O)c3)CC2)CC1	ZINC000372025222	537848835	/nfs/dbraw/zinc/84/88/35/537848835.db2.gz	HGXPGWRRPCSZIJ-UHFFFAOYSA-N	1	0	369.465	1.458	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1	ZINC000409508329	537854999	/nfs/dbraw/zinc/85/49/99/537854999.db2.gz	MBEHREUQXSYWSB-BZUAXINKSA-N	1	0	360.524	1.049	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)N[C@@H]1CCC[C@H]1C[NH3+]	ZINC000418928738	537854685	/nfs/dbraw/zinc/85/46/85/537854685.db2.gz	VNLJQDMVKNFHQE-GOEBONIOSA-N	1	0	360.483	1.151	20	30		FDEDRO
C[C@H](CNS(=O)(=O)c1cc(Br)ccc1C#N)C[NH+](C)C	ZINC000416484153	537866813	/nfs/dbraw/zinc/86/68/13/537866813.db2.gz	QTWUYRUAMCAHGM-SNVBAGLBSA-N	1	0	360.277	1.797	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)c(OC)c1	ZINC000366890691	537880202	/nfs/dbraw/zinc/88/02/02/537880202.db2.gz	ZJSNWTIVZSWSKI-GVDBMIGSSA-N	1	0	360.454	1.374	20	30		FDEDRO
C[C@@H](C[NH3+])CNC(=O)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	ZINC000419036218	537902758	/nfs/dbraw/zinc/90/27/58/537902758.db2.gz	PSKJHIMSDUINKR-JEYLPNPQSA-N	1	0	358.442	1.075	20	30		FDEDRO
C[N@H+]1CC=C(CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1	ZINC000376853915	537924000	/nfs/dbraw/zinc/92/40/00/537924000.db2.gz	FUCRSELNPQPTEQ-UHFFFAOYSA-N	1	0	354.458	1.483	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C[NH3+])CC(C)C)cc1	ZINC000414902836	537933320	/nfs/dbraw/zinc/93/33/20/537933320.db2.gz	YPGRLMDWJPQMMO-OAHLLOKOSA-N	1	0	368.503	1.988	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000367135279	537948394	/nfs/dbraw/zinc/94/83/94/537948394.db2.gz	JGTMDRUOXSGKFR-WMZOPIPTSA-N	1	0	364.515	1.824	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c(OC)c1	ZINC000377530182	537971210	/nfs/dbraw/zinc/97/12/10/537971210.db2.gz	NBANSBUZCFXYLZ-QGZVFWFLSA-N	1	0	359.470	1.309	20	30		FDEDRO
C[NH+]1CCC(n2ccc(=NC(=O)NCc3ccc(OCC#N)cc3)[nH]2)CC1	ZINC000368467788	537981703	/nfs/dbraw/zinc/98/17/03/537981703.db2.gz	BWLXQJYJEYVPOD-UHFFFAOYSA-N	1	0	368.441	2.374	20	30		FDEDRO
O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000415323961	538007119	/nfs/dbraw/zinc/00/71/19/538007119.db2.gz	DSESJAFPNHLETD-QGZVFWFLSA-N	1	0	362.433	1.536	20	30		FDEDRO
Cc1cc(NC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)c(C#N)cc1N(C)C	ZINC000417160252	538013942	/nfs/dbraw/zinc/01/39/42/538013942.db2.gz	PDOXMWAMMWXIHF-HUUCEWRRSA-N	1	0	359.474	1.852	20	30		FDEDRO
C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000415418819	538036422	/nfs/dbraw/zinc/03/64/22/538036422.db2.gz	ZAWIJESOTATVQG-VIFPVBQESA-N	1	0	353.220	1.231	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NCCN2CC[NH+]([C@H](C)CCC#N)CC2)cc1	ZINC000411375472	538064365	/nfs/dbraw/zinc/06/43/65/538064365.db2.gz	PZQVDYUJSZWALZ-QGZVFWFLSA-N	1	0	364.515	1.583	20	30		FDEDRO
C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1	ZINC000415465002	538064920	/nfs/dbraw/zinc/06/49/20/538064920.db2.gz	SAKUJOMDJJJHHP-BXUZGUMPSA-N	1	0	358.833	2.517	20	30		FDEDRO
CC[C@H]([NH3+])CNC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N	ZINC000418698488	538099858	/nfs/dbraw/zinc/09/98/58/538099858.db2.gz	MXWOECKZORPOLB-AWEZNQCLSA-N	1	0	369.473	1.604	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1	ZINC000419878350	538127360	/nfs/dbraw/zinc/12/73/60/538127360.db2.gz	GFNHCFCSKIDWSI-CRAIPNDOSA-N	1	0	354.454	1.577	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1	ZINC000419878353	538127440	/nfs/dbraw/zinc/12/74/40/538127440.db2.gz	GFNHCFCSKIDWSI-YJBOKZPZSA-N	1	0	354.454	1.577	20	30		FDEDRO
C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000423648034	538130642	/nfs/dbraw/zinc/13/06/42/538130642.db2.gz	ILQIMZBWLDLNCX-GDBMZVCRSA-N	1	0	370.453	1.124	20	30		FDEDRO
COC(=O)c1sccc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000438759739	538133125	/nfs/dbraw/zinc/13/31/25/538133125.db2.gz	IVNATAWQERECIB-UHFFFAOYSA-N	1	0	366.443	1.167	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(CO)(OC)CC1)C(C)C	ZINC000444857047	538199895	/nfs/dbraw/zinc/19/98/95/538199895.db2.gz	YWUBRAQSBJLSEN-QGZVFWFLSA-N	1	0	353.507	1.868	20	30		FDEDRO
CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	ZINC000420076807	538205654	/nfs/dbraw/zinc/20/56/54/538205654.db2.gz	BAULDMRNICYYBY-IRXDYDNUSA-N	1	0	356.470	1.918	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3ccc(=O)n(C)c3c2)CC1	ZINC000427565051	538221008	/nfs/dbraw/zinc/22/10/08/538221008.db2.gz	RPHJTSVFPKJNFQ-UHFFFAOYSA-N	1	0	368.437	1.244	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1	ZINC000424089757	538231233	/nfs/dbraw/zinc/23/12/33/538231233.db2.gz	AZEVGNPSMSGADO-OAHLLOKOSA-N	1	0	350.369	1.270	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1	ZINC000424116427	538239079	/nfs/dbraw/zinc/23/90/79/538239079.db2.gz	BMNOYLFKSXDPCB-ZDUSSCGKSA-N	1	0	354.407	1.226	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NCc1cc(Cl)ccc1N1CCOCC1	ZINC000424177477	538248429	/nfs/dbraw/zinc/24/84/29/538248429.db2.gz	UQBKSDQJWHJQPP-HNNXBMFYSA-N	1	0	350.850	1.814	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F	ZINC000424177787	538248941	/nfs/dbraw/zinc/24/89/41/538248941.db2.gz	VFHBYLKGXPNPCL-KGLIPLIRSA-N	1	0	368.359	1.726	20	30		FDEDRO
CCOC(=O)c1ccc(N2CCCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)nc1	ZINC000424194655	538252474	/nfs/dbraw/zinc/25/24/74/538252474.db2.gz	SDTDQWDAKHUHJJ-INIZCTEOSA-N	1	0	373.457	1.318	20	30		FDEDRO
CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000446144964	538278334	/nfs/dbraw/zinc/27/83/34/538278334.db2.gz	JNXRCLJCKVMSCE-WRWLIDTKSA-N	1	0	369.469	1.134	20	30		FDEDRO
C[NH+](C)CCOC1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CC1	ZINC000433889142	538286459	/nfs/dbraw/zinc/28/64/59/538286459.db2.gz	VYAIRKIOJFJPRX-UHFFFAOYSA-N	1	0	362.405	1.205	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[NH2+]C2)cc1Br	ZINC000420426918	538292658	/nfs/dbraw/zinc/29/26/58/538292658.db2.gz	WUMHQVUOPDRVGF-SNVBAGLBSA-N	1	0	358.261	1.599	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N(CCCC)[C@H]1CCS(=O)(=O)C1	ZINC000451677699	538300778	/nfs/dbraw/zinc/30/07/78/538300778.db2.gz	HBOLXFJLKAFALB-XHSDSOJGSA-N	1	0	358.504	1.125	20	30		FDEDRO
CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000420469985	538300973	/nfs/dbraw/zinc/30/09/73/538300973.db2.gz	WMJPYARUCCJTJO-ZDUSSCGKSA-N	1	0	372.288	1.987	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N[C@H](CC[NH3+])C(F)F	ZINC000420471154	538302625	/nfs/dbraw/zinc/30/26/25/538302625.db2.gz	XXMHERYLDVLWEP-SECBINFHSA-N	1	0	368.203	1.582	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)CN1CCN(C2CC[NH+](C(C)C)CC2)CC1	ZINC000441055428	538304760	/nfs/dbraw/zinc/30/47/60/538304760.db2.gz	NLQUVVJUPQHXGE-GOSISDBHSA-N	1	0	363.550	1.485	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H]2C(=O)NCC[C@@H]2C)cc1	ZINC000441340870	538324006	/nfs/dbraw/zinc/32/40/06/538324006.db2.gz	RSWHBRUBCWRVLC-KBXCAEBGSA-N	1	0	358.442	1.446	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000441722855	538335534	/nfs/dbraw/zinc/33/55/34/538335534.db2.gz	AOACTFIXEODEOB-SJORKVTESA-N	1	0	374.416	1.130	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)nn1	ZINC000424650238	538338691	/nfs/dbraw/zinc/33/86/91/538338691.db2.gz	UGPCWVDNYSSOOM-HOTGVXAUSA-N	1	0	361.490	1.816	20	30		FDEDRO
CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)Cc2ccc(C#N)cc2)CC1	ZINC000452060410	538357902	/nfs/dbraw/zinc/35/79/02/538357902.db2.gz	QYBOHVUALABJBD-UHFFFAOYSA-N	1	0	364.515	1.394	20	30		FDEDRO
C=CCN(C(=O)C[C@@H]1C[NH2+]CCO1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000430528287	538388896	/nfs/dbraw/zinc/38/88/96/538388896.db2.gz	XMAXPTGPISDCNC-RHSMWYFYSA-N	1	0	356.430	1.116	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1	ZINC000421306366	538392481	/nfs/dbraw/zinc/39/24/81/538392481.db2.gz	WECDDSYIQLASNC-INIZCTEOSA-N	1	0	373.457	1.485	20	30		FDEDRO
C=CCn1cc(CNC(=O)N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)nn1	ZINC000425873011	538414695	/nfs/dbraw/zinc/41/46/95/538414695.db2.gz	JPOMDCMXMFEAAC-WMZOPIPTSA-N	1	0	369.473	1.694	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c1	ZINC000453579571	538415293	/nfs/dbraw/zinc/41/52/93/538415293.db2.gz	AUNVWRVIVBDQEW-GASCZTMLSA-N	1	0	372.469	1.809	20	30		FDEDRO
C=C(C)CN(C)C(=O)C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000460052855	538460251	/nfs/dbraw/zinc/46/02/51/538460251.db2.gz	FMMXMQLCIHZMIV-HOTGVXAUSA-N	1	0	351.491	1.369	20	30		FDEDRO
C=CC[N@@H+](C[C@H](C)CS(C)(=O)=O)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000466957439	538584740	/nfs/dbraw/zinc/58/47/40/538584740.db2.gz	HJLKZIYXRUJEAT-GJZGRUSLSA-N	1	0	363.487	1.892	20	30		FDEDRO
CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1	ZINC000477106372	538594480	/nfs/dbraw/zinc/59/44/80/538594480.db2.gz	KIRXOFHZBJJFHK-INIZCTEOSA-N	1	0	371.485	1.053	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)N(C)CCC#N	ZINC000487160300	538612215	/nfs/dbraw/zinc/61/22/15/538612215.db2.gz	XTFLGLQTRWVAKI-WBVHZDCISA-N	1	0	350.488	1.577	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)Oc3ccccc32)CC1	ZINC000478095606	538715311	/nfs/dbraw/zinc/71/53/11/538715311.db2.gz	JZUTYAJSYKKNCG-HNNXBMFYSA-N	1	0	357.454	1.957	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2OC(F)F)CC1	ZINC000502522325	538744467	/nfs/dbraw/zinc/74/44/67/538744467.db2.gz	MNJIOTGHWTYOET-BZUAXINKSA-N	1	0	372.460	1.819	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1	ZINC000560732471	545590309	/nfs/dbraw/zinc/59/03/09/545590309.db2.gz	LWCMOHJYAHZBOG-NXHRZFHOSA-N	1	0	368.481	1.918	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]CCc1ccc(F)c(Br)c1	ZINC000560888483	545626727	/nfs/dbraw/zinc/62/67/27/545626727.db2.gz	VWKZZHLSIVJBQA-ZDUSSCGKSA-N	1	0	358.255	1.927	20	30		FDEDRO
CC[NH2+]CCCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000561003737	545649376	/nfs/dbraw/zinc/64/93/76/545649376.db2.gz	VOGWAPHGLGINPV-UHFFFAOYSA-N	1	0	358.320	1.511	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000561131207	545704528	/nfs/dbraw/zinc/70/45/28/545704528.db2.gz	RUDUJKWAFYQQGI-OAHLLOKOSA-N	1	0	355.417	1.628	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCO[C@H]2c2ccccc2)CC1	ZINC000561414425	545838897	/nfs/dbraw/zinc/83/88/97/545838897.db2.gz	AQZMFCHMJMQWGO-ROUUACIJSA-N	1	0	357.454	1.399	20	30		FDEDRO
C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NCC(=O)NCC#N)C1	ZINC000561499732	545875986	/nfs/dbraw/zinc/87/59/86/545875986.db2.gz	TZJIPHWZBCCTJS-HZPDHXFCSA-N	1	0	371.485	1.603	20	30		FDEDRO
CC[C@H](C)[N@H+](CCO)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000561925430	545984467	/nfs/dbraw/zinc/98/44/67/545984467.db2.gz	MYCNEZWFTNPCJE-HOTGVXAUSA-N	1	0	364.515	1.550	20	30		FDEDRO
C[C@@]1(CO)CCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000562092147	546029510	/nfs/dbraw/zinc/02/95/10/546029510.db2.gz	RFPYVDFIVMDPQW-YJBOKZPZSA-N	1	0	362.499	1.304	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)[C@H]1CCN(c2ccc(F)cc2)C1=O	ZINC000563189560	546438302	/nfs/dbraw/zinc/43/83/02/546438302.db2.gz	SKIYTYQWXYPVOB-INIZCTEOSA-N	1	0	356.405	1.673	20	30		FDEDRO
C[C@H]([NH2+][C@@H](CO)[C@H]1CCCOC1)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000563234739	546458910	/nfs/dbraw/zinc/45/89/10/546458910.db2.gz	AVOATPCXMPBFCD-JBWWOZQKSA-N	1	0	351.491	1.683	20	30		FDEDRO
CN1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H](C[NH3+])C1	ZINC000563545684	546582617	/nfs/dbraw/zinc/58/26/17/546582617.db2.gz	RMYIFQAGLIOHJJ-OAHLLOKOSA-N	1	0	354.376	1.341	20	30		FDEDRO
C[C@H]1CN(C(=O)NCc2ccc(CC#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000564204972	546843700	/nfs/dbraw/zinc/84/37/00/546843700.db2.gz	KTGOHFPSVQRMRB-PXNSSMCTSA-N	1	0	369.513	1.920	20	30		FDEDRO
CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000564421438	546909899	/nfs/dbraw/zinc/90/98/99/546909899.db2.gz	FIYHOYSUNWUING-AEFFLSMTSA-N	1	0	369.469	1.789	20	30		FDEDRO
CO[C@@H]1COC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000564445461	546916068	/nfs/dbraw/zinc/91/60/68/546916068.db2.gz	DOIYELVAGJWLAE-QZTJIDSGSA-N	1	0	358.442	1.189	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)cc1	ZINC000564952154	547125084	/nfs/dbraw/zinc/12/50/84/547125084.db2.gz	RVMRZIXVBLMKPE-UHFFFAOYSA-N	1	0	354.454	1.359	20	30		FDEDRO
N#Cc1cnn2cc(CNC[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)cnc12	ZINC000564986744	547146518	/nfs/dbraw/zinc/14/65/18/547146518.db2.gz	UTEBQNVWFIWDJO-FQEVSTJZSA-N	1	0	362.437	1.328	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+][C@H]3CCCN(C(=O)Cc4ccccc4)C3)cnc12	ZINC000564987586	547146556	/nfs/dbraw/zinc/14/65/56/547146556.db2.gz	YZICWOXRCVBCIY-IBGZPJMESA-N	1	0	374.448	1.924	20	30		FDEDRO
N#Cc1ncn(CC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)n1	ZINC000565108894	547205413	/nfs/dbraw/zinc/20/54/13/547205413.db2.gz	WZKHIHOUBCAPBU-QGZVFWFLSA-N	1	0	352.442	1.568	20	30		FDEDRO
COCC[NH2+]C1CCN(C(=O)Nc2ncccc2OCCCC#N)CC1	ZINC000565110388	547206531	/nfs/dbraw/zinc/20/65/31/547206531.db2.gz	QEYSGZCFKYFOEW-UHFFFAOYSA-N	1	0	361.446	1.996	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1	ZINC000565230357	547264722	/nfs/dbraw/zinc/26/47/22/547264722.db2.gz	YCHZBGTUGWBVEC-ZWKOTPCHSA-N	1	0	365.518	1.733	20	30		FDEDRO
CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@@H](O)COc3ccc(CC#N)cc3)[C@H]2C1	ZINC000565272907	547283025	/nfs/dbraw/zinc/28/30/25/547283025.db2.gz	XITIKHFQMAWJQN-YHELAOLJSA-N	1	0	371.481	1.729	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)n1)N1CCc2sccc2C1	ZINC000565948709	547543026	/nfs/dbraw/zinc/54/30/26/547543026.db2.gz	HGFZMPSPQHFKCF-LBPRGKRZSA-N	1	0	369.450	1.516	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1CCCN(C)[C@H]1c1cccs1	ZINC000566117055	547612689	/nfs/dbraw/zinc/61/26/89/547612689.db2.gz	RUUCQFHKKLSWOK-LZLYRXPVSA-N	1	0	350.532	1.927	20	30		FDEDRO
CS(=O)(=O)C1(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CCCC1	ZINC000566129227	547618076	/nfs/dbraw/zinc/61/80/76/547618076.db2.gz	AOLITMMCGCNLGS-OAHLLOKOSA-N	1	0	352.456	1.245	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1Br	ZINC000566215910	547663803	/nfs/dbraw/zinc/66/38/03/547663803.db2.gz	BXAKNSILPSNWQV-NEPJUHHUSA-N	1	0	370.272	1.836	20	30		FDEDRO
Cc1oc(NC(=O)[C@@H](C)N2CCC(CO)([NH2+]CC3CC3)CC2)c(C#N)c1C	ZINC000566306269	547703986	/nfs/dbraw/zinc/70/39/86/547703986.db2.gz	KUGMGUPNFMEVMY-CQSZACIVSA-N	1	0	374.485	1.922	20	30		FDEDRO
C=CCn1c(C)cc(C(=O)CN2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1C	ZINC000566562131	547807961	/nfs/dbraw/zinc/80/79/61/547807961.db2.gz	IKAHELNCNCVUCV-GOSISDBHSA-N	1	0	372.513	1.617	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1	ZINC000566906332	547926545	/nfs/dbraw/zinc/92/65/45/547926545.db2.gz	PECSCCZMUYSJSL-JKSUJKDBSA-N	1	0	357.435	1.601	20	30		FDEDRO
CO[C@H]1CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000567083647	547989227	/nfs/dbraw/zinc/98/92/27/547989227.db2.gz	XSILSCHWZUAUCS-MSOLQXFVSA-N	1	0	372.469	1.132	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1	ZINC000567286104	548064774	/nfs/dbraw/zinc/06/47/74/548064774.db2.gz	AILORSDSJQZOGW-MRXNPFEDSA-N	1	0	350.507	1.542	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H]([NH2+]C[C@@H](O)COc3ccccc3)C2=O)cc1	ZINC000567726828	548231909	/nfs/dbraw/zinc/23/19/09/548231909.db2.gz	ZNNCDCVMPFZVQE-UYAOXDASSA-N	1	0	365.433	1.689	20	30		FDEDRO
C=CCN=c1[nH]cc(C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)s1	ZINC000567841946	548286845	/nfs/dbraw/zinc/28/68/45/548286845.db2.gz	WGLXHEYOTVYJLU-UONOGXRCSA-N	1	0	350.488	2.100	20	30		FDEDRO
COC[C@]1(CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CCC[NH2+]1	ZINC000568490972	548557768	/nfs/dbraw/zinc/55/77/68/548557768.db2.gz	PVFFEUPYRIYLPD-HXUWFJFHSA-N	1	0	371.485	1.154	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)NCC3([NH3+])CCCCC3)CC2)c1C#N	ZINC000568609130	548604704	/nfs/dbraw/zinc/60/47/04/548604704.db2.gz	VYRZVQZKNXPEEK-UHFFFAOYSA-N	1	0	359.478	1.093	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2c(C)nn(CC)c2C)CC1	ZINC000568780792	548679892	/nfs/dbraw/zinc/67/98/92/548679892.db2.gz	YTQWCBLTNHSGOC-UHFFFAOYSA-N	1	0	361.490	1.293	20	30		FDEDRO
Cc1oc(NC(=O)[C@@H](C)N(C)CCC[N@H+](C)CCN(C)C)c(C#N)c1C	ZINC000568928783	548732993	/nfs/dbraw/zinc/73/29/93/548732993.db2.gz	FEDQFTUDVTXGMN-OAHLLOKOSA-N	1	0	363.506	1.910	20	30		FDEDRO
N#Cc1ccc2nc(NCC3([NH+]4CCOCC4)CCOCC3)ccc2c1	ZINC000569317801	548871467	/nfs/dbraw/zinc/87/14/67/548871467.db2.gz	XDWDXTBVWIVJGL-UHFFFAOYSA-N	1	0	352.438	2.400	20	30		FDEDRO
COc1cc(CNC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1C#N	ZINC000569979621	549118324	/nfs/dbraw/zinc/11/83/24/549118324.db2.gz	BPOMQKPAFZYVIR-HUUCEWRRSA-N	1	0	360.458	1.865	20	30		FDEDRO
N#CCCn1cc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c(-c2ccncc2)n1	ZINC000571024871	549496433	/nfs/dbraw/zinc/49/64/33/549496433.db2.gz	NVDORSXTCDNEOB-KVSKMBFKSA-N	1	0	364.453	1.945	20	30		FDEDRO
C[N@@H+]1CC[C@](O)(CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1	ZINC000571811984	549771215	/nfs/dbraw/zinc/77/12/15/549771215.db2.gz	ACPLPHSKRWMDSD-IBGZPJMESA-N	1	0	367.409	1.934	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)cc1	ZINC000572158381	549855192	/nfs/dbraw/zinc/85/51/92/549855192.db2.gz	NXRFFOVMYVCMBT-PKOBYXMFSA-N	1	0	360.454	1.455	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)CC2)C1=O	ZINC000572477428	549923491	/nfs/dbraw/zinc/92/34/91/549923491.db2.gz	VFUFAEQKGDFRRP-OTWHNJEPSA-N	1	0	366.465	1.473	20	30		FDEDRO
C[C@H](NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCC[NH2+]C1	ZINC000572499266	549929265	/nfs/dbraw/zinc/92/92/65/549929265.db2.gz	LHWZQUIAAYFGLI-ZVZYQTTQSA-N	1	0	369.469	1.741	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)Nc1cccc(C#N)n1)[C@@H](c1ccccc1)[NH+](C)C	ZINC000572840620	550006342	/nfs/dbraw/zinc/00/63/42/550006342.db2.gz	JXVCLFUDYKGXGA-DYVFJYSZSA-N	1	0	351.410	1.699	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)n1	ZINC000572942149	550029139	/nfs/dbraw/zinc/02/91/39/550029139.db2.gz	YAUYIFQCZZSFEL-STQMWFEESA-N	1	0	354.389	1.956	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)n1	ZINC000572942147	550029166	/nfs/dbraw/zinc/02/91/66/550029166.db2.gz	YAUYIFQCZZSFEL-QWHCGFSZSA-N	1	0	354.389	1.956	20	30		FDEDRO
COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+][C@@H](C)C(=O)NC1(C#N)CCC1	ZINC000573075834	550057893	/nfs/dbraw/zinc/05/78/93/550057893.db2.gz	NGZUJWSOHFFRBR-YQQAZPJKSA-N	1	0	357.454	1.947	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1	ZINC000573229415	550092965	/nfs/dbraw/zinc/09/29/65/550092965.db2.gz	AZDALPQNTKHJRC-UHFFFAOYSA-N	1	0	361.511	1.237	20	30		FDEDRO
CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000573478971	550147297	/nfs/dbraw/zinc/14/72/97/550147297.db2.gz	DULQUUNFGBJOBK-LSDHHAIUSA-N	1	0	351.472	1.910	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1	ZINC000573477096	550147404	/nfs/dbraw/zinc/14/74/04/550147404.db2.gz	DSTCXXLJOMTKGF-JFIYKMOQSA-N	1	0	364.877	1.408	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)nc1	ZINC000573565179	550166056	/nfs/dbraw/zinc/16/60/56/550166056.db2.gz	WNPBNKATHCEAQE-HKUYNNGSSA-N	1	0	371.462	1.483	20	30		FDEDRO
CC(C)C1CCC([NH+]2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)CC1	ZINC000573635702	550181655	/nfs/dbraw/zinc/18/16/55/550181655.db2.gz	QNKJEMPMAOUNEB-UHFFFAOYSA-N	1	0	373.505	1.692	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc3c(c2)CCCO3)c1C#N	ZINC000573805885	550214690	/nfs/dbraw/zinc/21/46/90/550214690.db2.gz	SUOPGZPDGVCIOI-UHFFFAOYSA-N	1	0	353.426	1.940	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1	ZINC000573935729	550234555	/nfs/dbraw/zinc/23/45/55/550234555.db2.gz	OAVIUYRVSJBKDA-AEFFLSMTSA-N	1	0	364.515	1.714	20	30		FDEDRO
C=CCn1c(C)cc(C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C[NH3+])C2=O)c1C	ZINC000574037153	550250079	/nfs/dbraw/zinc/25/00/79/550250079.db2.gz	DKEUXOYLZDJPHF-MGPUTAFESA-N	1	0	372.469	1.913	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)CN(CC(=O)OC(C)(C)C)C1CCOCC1	ZINC000574089561	550255546	/nfs/dbraw/zinc/25/55/46/550255546.db2.gz	ODBZPLSWIGAVMD-HNNXBMFYSA-N	1	0	367.490	1.817	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)c1C#N	ZINC000574209645	550276168	/nfs/dbraw/zinc/27/61/68/550276168.db2.gz	SXHBALKDHQWZNP-ZDUSSCGKSA-N	1	0	360.487	1.392	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)NCc3ccc(C#N)c(F)c3)C2)CC1	ZINC000574656651	550349327	/nfs/dbraw/zinc/34/93/27/550349327.db2.gz	VJYNAEUJBYONJS-KRWDZBQOSA-N	1	0	359.449	1.619	20	30		FDEDRO
C[NH+](C)CC1(CNC(=O)N2CCN(c3cnccc3C#N)CC2)CCCC1	ZINC000574699336	550357023	/nfs/dbraw/zinc/35/70/23/550357023.db2.gz	BHWMKFZYKLTLGH-UHFFFAOYSA-N	1	0	370.501	1.907	20	30		FDEDRO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2	ZINC000575160236	550437052	/nfs/dbraw/zinc/43/70/52/550437052.db2.gz	CJEZGJZRKTWFST-GHTZIAJQSA-N	1	0	355.482	1.892	20	30		FDEDRO
C[NH2+]CCCC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2C#N)CC1	ZINC000575332047	550453918	/nfs/dbraw/zinc/45/39/18/550453918.db2.gz	MKADLOACTIJPEK-UHFFFAOYSA-N	1	0	361.421	1.809	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C	ZINC000576189859	550520800	/nfs/dbraw/zinc/52/08/00/550520800.db2.gz	WEDWOWVMWVEFBO-MRXNPFEDSA-N	1	0	367.877	1.720	20	30		FDEDRO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCOC[C@H](O)C3)sc2C1	ZINC000576791064	550585840	/nfs/dbraw/zinc/58/58/40/550585840.db2.gz	WMVQOGHCLCBCKW-QWHCGFSZSA-N	1	0	363.483	1.766	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCc2ccc(CC#N)cc2)CC1=O	ZINC000576827164	550590314	/nfs/dbraw/zinc/59/03/14/550590314.db2.gz	WDBOSAIICFYIKN-OALUTQOASA-N	1	0	368.481	1.702	20	30		FDEDRO
N#CC1(CS(=O)(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CCC1	ZINC000577335089	550645050	/nfs/dbraw/zinc/64/50/50/550645050.db2.gz	GAJKULLUXZINOP-KRWDZBQOSA-N	1	0	363.483	1.366	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]CCCN(C(=O)C3CCC3)C3CC3)cnc12	ZINC000577514736	550665096	/nfs/dbraw/zinc/66/50/96/550665096.db2.gz	AINMBWOKZFVQOR-UHFFFAOYSA-N	1	0	352.442	1.872	20	30		FDEDRO
CC(C)Oc1ccc([C@H](CNC(=O)[C@@H](C)n2cnc(C#N)n2)[NH+](C)C)cc1	ZINC000577547461	550668348	/nfs/dbraw/zinc/66/83/48/550668348.db2.gz	NOGKHAYBWTVKOF-PBHICJAKSA-N	1	0	370.457	1.917	20	30		FDEDRO
COc1ccc(C(=O)NCCN2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)cc1	ZINC000577656142	550680454	/nfs/dbraw/zinc/68/04/54/550680454.db2.gz	QBMOFOBJFWLBMJ-FUHWJXTLSA-N	1	0	356.470	1.735	20	30		FDEDRO
CC[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000577699783	550684612	/nfs/dbraw/zinc/68/46/12/550684612.db2.gz	ISEZSVMVIOCEKG-MRXNPFEDSA-N	1	0	352.442	1.708	20	30		FDEDRO
CC(C)[NH2+]CCCNC(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000577713582	550686053	/nfs/dbraw/zinc/68/60/53/550686053.db2.gz	IHXSCVIIXOUNBP-UHFFFAOYSA-N	1	0	369.387	1.677	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)ncc1C#N	ZINC000578336322	550753560	/nfs/dbraw/zinc/75/35/60/550753560.db2.gz	BWEQNNXVFJXVMG-ZDUSSCGKSA-N	1	0	355.442	1.533	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1	ZINC000578906753	550814633	/nfs/dbraw/zinc/81/46/33/550814633.db2.gz	SIDBCRZATVUSHM-WMZOPIPTSA-N	1	0	364.515	1.571	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@H+](CC(=O)OC(C)(C)C)C1CCOCC1	ZINC000579014713	550826395	/nfs/dbraw/zinc/82/63/95/550826395.db2.gz	VSCGMNBCJOVJHK-UHFFFAOYSA-N	1	0	353.463	1.571	20	30		FDEDRO
CC(=O)NCCN(CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(C)s1	ZINC000579136689	550840195	/nfs/dbraw/zinc/84/01/95/550840195.db2.gz	VPDXANWHJAJWTC-GOSISDBHSA-N	1	0	362.499	1.803	20	30		FDEDRO
Cc1cc(=NC(=O)NCc2ccncc2OCC[NH+](C)C)[nH]n1CCC#N	ZINC000579158049	550842397	/nfs/dbraw/zinc/84/23/97/550842397.db2.gz	JLHRIDJTZWMSRE-UHFFFAOYSA-N	1	0	371.445	1.762	20	30		FDEDRO
CCN(CC[NH+]1CCCCCC1)S(=O)(=O)N(CCC#N)CCOC	ZINC000579219640	550848627	/nfs/dbraw/zinc/84/86/27/550848627.db2.gz	PPKFZUFGDOUEJG-UHFFFAOYSA-N	1	0	360.524	1.291	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCCS(=O)(=O)C1	ZINC000579944293	550926350	/nfs/dbraw/zinc/92/63/50/550926350.db2.gz	LAUHJNQHPISWCG-WBVHZDCISA-N	1	0	353.484	1.569	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)CC1	ZINC000579987547	550931432	/nfs/dbraw/zinc/93/14/32/550931432.db2.gz	XYHICIWZENLHLH-SJORKVTESA-N	1	0	365.518	1.853	20	30		FDEDRO
COCCN1CCC[C@H]1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000580064279	550939163	/nfs/dbraw/zinc/93/91/63/550939163.db2.gz	UTOKWROGWKZISX-INIZCTEOSA-N	1	0	351.472	1.032	20	30		FDEDRO
COCCN1CCC[C@@H]1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000580064280	550939301	/nfs/dbraw/zinc/93/93/01/550939301.db2.gz	UTOKWROGWKZISX-MRXNPFEDSA-N	1	0	351.472	1.032	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]CCc2cn3c(n2)CCCC3)cc1	ZINC000580065126	550939321	/nfs/dbraw/zinc/93/93/21/550939321.db2.gz	KMCKNSLZPMJDNA-GOSISDBHSA-N	1	0	354.454	1.857	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+][C@@H]3CC(=O)N([C@H]4C[C@H]4c4ccccc4)C3)cnc12	ZINC000580646552	551004435	/nfs/dbraw/zinc/00/44/35/551004435.db2.gz	LSCGSTBUUSHVFZ-QYZOEREBSA-N	1	0	372.432	1.848	20	30		FDEDRO
N#CC1(CNC(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1	ZINC000580751328	551014507	/nfs/dbraw/zinc/01/45/07/551014507.db2.gz	RHMSLMLHOVWUMT-QGZVFWFLSA-N	1	0	369.469	1.487	20	30		FDEDRO
Cn1ccnc1[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCO1	ZINC000580947353	551035884	/nfs/dbraw/zinc/03/58/84/551035884.db2.gz	AEFKHHGJOKQDFI-RDJZCZTQSA-N	1	0	374.466	1.575	20	30		FDEDRO
C[C@H]1CN(Cc2cccc(C[NH2+]C[C@@H](O)CN(C)CCC#N)c2)CCO1	ZINC000581066858	551048431	/nfs/dbraw/zinc/04/84/31/551048431.db2.gz	ZCZGFMQKHOQATC-FXAWDEMLSA-N	1	0	360.502	1.203	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@]4(CCOC4)C3)CC2)o1	ZINC000581173289	551059454	/nfs/dbraw/zinc/05/94/54/551059454.db2.gz	ODODGDJAGTVHQH-IBGZPJMESA-N	1	0	373.457	1.006	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1CNS(=O)(=O)CCC(C)(C)C#N	ZINC000581277771	551070916	/nfs/dbraw/zinc/07/09/16/551070916.db2.gz	JQJFPLDUCAXADO-UHFFFAOYSA-N	1	0	353.488	1.986	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1	ZINC000582241393	551195532	/nfs/dbraw/zinc/19/55/32/551195532.db2.gz	PVGUTWMMGGQJKK-MNOVXSKESA-N	1	0	370.272	1.551	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1	ZINC000582468088	551228037	/nfs/dbraw/zinc/22/80/37/551228037.db2.gz	CPJLPUGVERIZLV-CVEARBPZSA-N	1	0	370.457	1.849	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]CCCc2nnc3n2CCCCC3)cc1	ZINC000582481776	551230282	/nfs/dbraw/zinc/23/02/82/551230282.db2.gz	GTVOHYJDANFADL-QGZVFWFLSA-N	1	0	369.469	1.838	20	30		FDEDRO
N#Cc1ccc(NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)nc1N	ZINC000582676834	551255233	/nfs/dbraw/zinc/25/52/33/551255233.db2.gz	KUDGTNIUZPCJNS-KRWDZBQOSA-N	1	0	364.453	1.845	20	30		FDEDRO
C[C@H]1CN(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCO1	ZINC000582882819	551276898	/nfs/dbraw/zinc/27/68/98/551276898.db2.gz	HFVJWJCCRTYIJR-INIZCTEOSA-N	1	0	354.458	1.669	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1=O	ZINC000582934379	551282844	/nfs/dbraw/zinc/28/28/44/551282844.db2.gz	MEMUKRIUPCHSGC-MRXNPFEDSA-N	1	0	351.472	1.156	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1	ZINC000583259413	551326349	/nfs/dbraw/zinc/32/63/49/551326349.db2.gz	YVUBDQYADHATKC-WMLDXEAASA-N	1	0	370.453	1.137	20	30		FDEDRO
N#Cc1cccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)n1	ZINC000583692267	551388591	/nfs/dbraw/zinc/38/85/91/551388591.db2.gz	RNTPBLDYMSPJGY-SJLPKXTDSA-N	1	0	365.437	1.958	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)N3CC[C@@]4(CC[NH2+]C4)C3)CC2)cc1	ZINC000583928791	551421809	/nfs/dbraw/zinc/42/18/09/551421809.db2.gz	OFLSZXMZIKYUQH-OAQYLSRUSA-N	1	0	364.449	1.386	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H]([NH2+]C3CCN(CC(F)F)CC3)C2=O)cc1	ZINC000584146908	551454038	/nfs/dbraw/zinc/45/40/38/551454038.db2.gz	GRHKODAGDUACOL-KRWDZBQOSA-N	1	0	362.424	1.978	20	30		FDEDRO
CC(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(C#N)cc2F)CC1	ZINC000585701048	551583759	/nfs/dbraw/zinc/58/37/59/551583759.db2.gz	YZLVYQSECJLWSS-UHFFFAOYSA-N	1	0	360.433	1.550	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@H]([NH+]2CCOCC2)CC1	ZINC000585716901	551586798	/nfs/dbraw/zinc/58/67/98/551586798.db2.gz	CCYPPDKCQFMNSC-MSOLQXFVSA-N	1	0	362.518	1.904	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1	ZINC000585777644	551598214	/nfs/dbraw/zinc/59/82/14/551598214.db2.gz	MBVYJJKFEYXPIW-OAGGEKHMSA-N	1	0	356.470	1.972	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1	ZINC000587248435	551631600	/nfs/dbraw/zinc/63/16/00/551631600.db2.gz	VDCBZOGWGZEMHJ-DLBZAZTESA-N	1	0	374.460	1.751	20	30		FDEDRO
COc1ccccc1[C@H](CNC(=O)NCC(=O)NCC#N)[NH+]1CCCCC1	ZINC000588141672	551652952	/nfs/dbraw/zinc/65/29/52/551652952.db2.gz	HNIKWADCOIXSIC-INIZCTEOSA-N	1	0	373.457	1.161	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCC[N@@H+](CC)C(C)C)c1	ZINC000588226434	551660680	/nfs/dbraw/zinc/66/06/80/551660680.db2.gz	PPIBZCRGFKXMGU-UHFFFAOYSA-N	1	0	353.488	1.611	20	30		FDEDRO
CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cccc(C#N)n1	ZINC000589464519	551732275	/nfs/dbraw/zinc/73/22/75/551732275.db2.gz	GXILESJJGFGGCD-INIZCTEOSA-N	1	0	358.442	1.833	20	30		FDEDRO
CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(C#N)n1	ZINC000589491386	551733593	/nfs/dbraw/zinc/73/35/93/551733593.db2.gz	FHEGBHRTWWDLGG-FQEVSTJZSA-N	1	0	350.422	1.662	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=O)cc1NS(=O)(=O)c1cccc(CC#N)c1	ZINC000589585137	551736682	/nfs/dbraw/zinc/73/66/82/551736682.db2.gz	SVJYHPCLDNBEPB-UHFFFAOYSA-N	1	0	372.450	1.714	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)CC2)c1C#N	ZINC000589612502	551738216	/nfs/dbraw/zinc/73/82/16/551738216.db2.gz	HDKJYYAJFMRESY-OAHLLOKOSA-N	1	0	374.514	1.639	20	30		FDEDRO
C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2ccccc2SCCC#N)C1	ZINC000590281133	551769985	/nfs/dbraw/zinc/76/99/85/551769985.db2.gz	MFQOMJKZOTVVBE-ZFWWWQNUSA-N	1	0	358.467	1.793	20	30		FDEDRO
N#Cc1ccc(NCC(=O)NC[C@H]2CCCN(Cc3ncon3)C2)cc1	ZINC000590362533	551775850	/nfs/dbraw/zinc/77/58/50/551775850.db2.gz	OQAQKQRBFRUFMA-OAHLLOKOSA-N	1	0	354.414	1.382	20	30		FDEDRO
COc1cc(C#N)ccc1OCCCC(=O)N[C@H](CO)C[NH+]1CCCC1	ZINC000590371887	551776636	/nfs/dbraw/zinc/77/66/36/551776636.db2.gz	QHTXSRFEDUBXNZ-INIZCTEOSA-N	1	0	361.442	1.299	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C	ZINC000590562461	551792679	/nfs/dbraw/zinc/79/26/79/551792679.db2.gz	LLHKWQIERNHXRP-JKSUJKDBSA-N	1	0	359.426	1.267	20	30		FDEDRO
CO[C@@H]1C[C@H]([N@H+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C12CCC2	ZINC000590761946	551814049	/nfs/dbraw/zinc/81/40/49/551814049.db2.gz	ALJZTMOYDXEZCF-OKZBNKHCSA-N	1	0	362.518	1.568	20	30		FDEDRO
CN(C)C(=O)N[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000590764169	551814307	/nfs/dbraw/zinc/81/43/07/551814307.db2.gz	CTRYDXRTJOHPJR-DLBZAZTESA-N	1	0	360.458	1.228	20	30		FDEDRO
C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CCOC[C@H]3CO)sc2C1	ZINC000591033017	551837936	/nfs/dbraw/zinc/83/79/36/551837936.db2.gz	ULXCWZUBUPGOEL-CHWSQXEVSA-N	1	0	363.483	1.766	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)N[C@H](CO)C[NH+]2CCCCC2)cc1	ZINC000591219350	551851606	/nfs/dbraw/zinc/85/16/06/551851606.db2.gz	ZFCPUSNPLGSTII-PKOBYXMFSA-N	1	0	356.470	1.490	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cccc(C[NH3+])c1	ZINC000591275107	551855425	/nfs/dbraw/zinc/85/54/25/551855425.db2.gz	YQXDBIQKVPJCFK-UHFFFAOYSA-N	1	0	366.421	1.631	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n1	ZINC000591297458	551857947	/nfs/dbraw/zinc/85/79/47/551857947.db2.gz	CHVIJYXNSLXINO-NOLJZWGESA-N	1	0	368.416	2.474	20	30		FDEDRO
CC[C@H]1CN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC[C@@H]1[NH3+]	ZINC000591304101	551859157	/nfs/dbraw/zinc/85/91/57/551859157.db2.gz	NLJQKAWEEVEAFG-BBRMVZONSA-N	1	0	358.442	1.870	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1Cl	ZINC000591358075	551865730	/nfs/dbraw/zinc/86/57/30/551865730.db2.gz	KFHDRCSKTUABEG-CQSZACIVSA-N	1	0	363.849	1.208	20	30		FDEDRO
CC[C@@H]1CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC[C@@H]1[NH3+]	ZINC000591357151	551865744	/nfs/dbraw/zinc/86/57/44/551865744.db2.gz	VYTOIUCNWWSMBW-SQNIBIBYSA-N	1	0	369.469	1.428	20	30		FDEDRO
Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)NCC1(C#N)CCC1	ZINC000591388969	551867360	/nfs/dbraw/zinc/86/73/60/551867360.db2.gz	HTVUDFJWQJBVCU-MRXNPFEDSA-N	1	0	366.425	1.519	20	30		FDEDRO
CN(C[C@H]1CCC[N@@H+]1C)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000591471876	551873636	/nfs/dbraw/zinc/87/36/36/551873636.db2.gz	WJHJZQMMCPTIHW-MSOLQXFVSA-N	1	0	369.469	1.395	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C2CCN(CC(F)F)CC2)nc1	ZINC000591728768	551904107	/nfs/dbraw/zinc/90/41/07/551904107.db2.gz	HFXBQUXKBQEDAK-UHFFFAOYSA-N	1	0	358.414	1.046	20	30		FDEDRO
C[S@](=O)c1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1	ZINC000591750277	551905814	/nfs/dbraw/zinc/90/58/14/551905814.db2.gz	YIORNJHLZRRDAH-QHCPKHFHSA-N	1	0	363.464	1.254	20	30		FDEDRO
C[C@H](O)C[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1	ZINC000591754062	551905843	/nfs/dbraw/zinc/90/58/43/551905843.db2.gz	YTEMZGFYRMQMDE-MAUKXSAKSA-N	1	0	373.478	1.871	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O	ZINC000591763720	551906951	/nfs/dbraw/zinc/90/69/51/551906951.db2.gz	DWJAODAFCQGYGX-DNVCBOLYSA-N	1	0	361.401	1.792	20	30		FDEDRO
CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)[C@]12CCCO2	ZINC000591760128	551906970	/nfs/dbraw/zinc/90/69/70/551906970.db2.gz	OTGUQHQCBQXQIK-GSEOLPGOSA-N	1	0	360.454	1.809	20	30		FDEDRO
CC(=O)N1CCC[N@@H+]([C@H]2CN(c3ncc4c(c3C#N)CCC4)C[C@H]2C)CC1	ZINC000591821312	551910056	/nfs/dbraw/zinc/91/00/56/551910056.db2.gz	CCBNNWSOPZFFOT-QRWLVFNGSA-N	1	0	367.497	1.821	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CCCN2C(=O)c3ccccc3C2=O)CC1	ZINC000592070477	551935720	/nfs/dbraw/zinc/93/57/20/551935720.db2.gz	YVRWXDQBJIUYKZ-UHFFFAOYSA-N	1	0	355.438	1.829	20	30		FDEDRO
COc1cc(NC(=O)CC[N@@H+]2CC[C@@](O)(CC#N)C2)cc(OC)c1OC	ZINC000592152540	551950751	/nfs/dbraw/zinc/95/07/51/551950751.db2.gz	ZEYSNUSKWHJGIC-SFHVURJKSA-N	1	0	363.414	1.391	20	30		FDEDRO
CC[NH+](CC)Cc1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2C#N)o1	ZINC000592224920	551963334	/nfs/dbraw/zinc/96/33/34/551963334.db2.gz	UNENKVYPIILQJM-UHFFFAOYSA-N	1	0	358.446	2.003	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)CC2)c1	ZINC000592258360	551968741	/nfs/dbraw/zinc/96/87/41/551968741.db2.gz	QINRKAVIRNOQKX-QGZVFWFLSA-N	1	0	365.441	1.037	20	30		FDEDRO
N#CC[C@]1(O)CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1	ZINC000592304614	551976145	/nfs/dbraw/zinc/97/61/45/551976145.db2.gz	PZVKHIHTQSDURB-FQEVSTJZSA-N	1	0	370.453	1.140	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1	ZINC000592340985	551982267	/nfs/dbraw/zinc/98/22/67/551982267.db2.gz	JJSCXKZDNQZJAW-SFHVURJKSA-N	1	0	354.454	1.456	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1Br	ZINC000592390319	551988373	/nfs/dbraw/zinc/98/83/73/551988373.db2.gz	QJUFOHLINRKZSS-CYBMUJFWSA-N	1	0	370.272	1.741	20	30		FDEDRO
C=CCC[C@@H](O)C[NH+]1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1	ZINC000593045167	552055611	/nfs/dbraw/zinc/05/56/11/552055611.db2.gz	SZUQPTGITUZSFA-DOTOQJQBSA-N	1	0	366.502	1.968	20	30		FDEDRO
C[C@@H](CCO)[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000593109226	552063336	/nfs/dbraw/zinc/06/33/36/552063336.db2.gz	XFRARCBBHYZNNV-LSDHHAIUSA-N	1	0	350.488	1.160	20	30		FDEDRO
COCC[C@@H]1NC(=O)N(C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1=O	ZINC000593231221	552075063	/nfs/dbraw/zinc/07/50/63/552075063.db2.gz	HKTGWNHJZPATGE-KRWDZBQOSA-N	1	0	356.426	1.480	20	30		FDEDRO
CCCNC(=O)CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593298811	552085215	/nfs/dbraw/zinc/08/52/15/552085215.db2.gz	CONNYOBZWJYAJN-UHFFFAOYSA-N	1	0	357.458	1.348	20	30		FDEDRO
COCCn1cc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)nn1	ZINC000593348865	552093763	/nfs/dbraw/zinc/09/37/63/552093763.db2.gz	NRPNGHGVITUINX-UHFFFAOYSA-N	1	0	368.441	1.191	20	30		FDEDRO
CCN(C)C(=O)[C@@H](C)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593396563	552102079	/nfs/dbraw/zinc/10/20/79/552102079.db2.gz	BEWSFMUJIPZMLM-OAHLLOKOSA-N	1	0	371.485	1.689	20	30		FDEDRO
CCn1ncnc1CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593399880	552102554	/nfs/dbraw/zinc/10/25/54/552102554.db2.gz	UOHCJBWLCHOPPK-UHFFFAOYSA-N	1	0	367.457	1.633	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NCC3(CC(N)=O)CC3)CC2)c1	ZINC000593416298	552105217	/nfs/dbraw/zinc/10/52/17/552105217.db2.gz	QLNXKUCPXBGYGK-UHFFFAOYSA-N	1	0	369.469	1.477	20	30		FDEDRO
C[C@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1nc[nH]n1	ZINC000593513586	552120032	/nfs/dbraw/zinc/12/00/32/552120032.db2.gz	LJOLDHOAYOZRMT-ZDUSSCGKSA-N	1	0	353.430	1.701	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3C[C@@H]4COC[C@H](C3)O4)CC2)c1	ZINC000593512982	552120054	/nfs/dbraw/zinc/12/00/54/552120054.db2.gz	BBHKUNYSJAMYMB-KDURUIRLSA-N	1	0	370.453	1.332	20	30		FDEDRO
COC[C@@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCO1	ZINC000593512801	552120107	/nfs/dbraw/zinc/12/01/07/552120107.db2.gz	TXLNPBAWDKTRNN-IBGZPJMESA-N	1	0	372.469	1.579	20	30		FDEDRO
COC[C@H]1C[C@@H](O)CN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593515066	552120828	/nfs/dbraw/zinc/12/08/28/552120828.db2.gz	GQIXTHFQVXMMRV-RTBURBONSA-N	1	0	372.469	1.314	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N(C)C1CC[NH+](C)CC1	ZINC000593524077	552122431	/nfs/dbraw/zinc/12/24/31/552122431.db2.gz	XUUFVZKFCGBQGS-UHFFFAOYSA-N	1	0	351.428	1.060	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCC[NH+]1CCC(C)CC1	ZINC000593531651	552124967	/nfs/dbraw/zinc/12/49/67/552124967.db2.gz	SBEOFLWOTBBHLO-UHFFFAOYSA-N	1	0	365.455	1.355	20	30		FDEDRO
CN1CCN(C)[C@@H](CNS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C1	ZINC000593542990	552128213	/nfs/dbraw/zinc/12/82/13/552128213.db2.gz	XYPVGPGZXLYPEW-HNNXBMFYSA-N	1	0	350.488	1.012	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2ccsc2C#N)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000593567935	552137224	/nfs/dbraw/zinc/13/72/24/552137224.db2.gz	FOGJOKLVBMUAKI-ZIAGYGMSSA-N	1	0	368.528	1.266	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCC(C[NH+](C)C)CC1	ZINC000593569425	552138092	/nfs/dbraw/zinc/13/80/92/552138092.db2.gz	NZSCLTRAHMWTNH-UHFFFAOYSA-N	1	0	365.455	1.307	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cc2c([nH]c1=O)CCCC2	ZINC000593593373	552146501	/nfs/dbraw/zinc/14/65/01/552146501.db2.gz	ACLGKAQWMBLOSE-UHFFFAOYSA-N	1	0	373.457	1.298	20	30		FDEDRO
CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1C(=O)OC	ZINC000593599918	552148297	/nfs/dbraw/zinc/14/82/97/552148297.db2.gz	ZCTSPZDYNCKUEP-CYBMUJFWSA-N	1	0	367.471	1.744	20	30		FDEDRO
CC[N@H+](CCCNS(=O)(=O)N1CCO[C@@H](C#N)C1)C1CCCCC1	ZINC000593626626	552155813	/nfs/dbraw/zinc/15/58/13/552155813.db2.gz	CAHBKPVJGSYPNW-INIZCTEOSA-N	1	0	358.508	1.090	20	30		FDEDRO
CC[C@@H](C#N)C(=O)N(C)CCN(CC[NH+]1CCCC1)C(=O)[C@H](C#N)CC	ZINC000593705346	552178208	/nfs/dbraw/zinc/17/82/08/552178208.db2.gz	ZCYTYGOAEDATKV-IRXDYDNUSA-N	1	0	361.490	1.469	20	30		FDEDRO
N#C[C@H]1CN(C(=O)NCCC2CC[NH2+]CC2)CCN1Cc1ccccc1	ZINC000593719117	552181970	/nfs/dbraw/zinc/18/19/70/552181970.db2.gz	VRVLXAMHPWXDHO-IBGZPJMESA-N	1	0	355.486	1.796	20	30		FDEDRO
Cc1cc(S(=O)(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)ccc1C#N	ZINC000593735867	552187151	/nfs/dbraw/zinc/18/71/51/552187151.db2.gz	PJKNFFLGQQZXQN-XYJFISCASA-N	1	0	363.483	1.774	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2	ZINC000593906944	552223118	/nfs/dbraw/zinc/22/31/18/552223118.db2.gz	GNCYRNADUKLKFH-NSHDSACASA-N	1	0	358.423	1.857	20	30		FDEDRO
COC(=O)C1(CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1	ZINC000593928745	552227780	/nfs/dbraw/zinc/22/77/80/552227780.db2.gz	RQWLZEACPAHPJK-UHFFFAOYSA-N	1	0	370.453	1.775	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593934645	552229583	/nfs/dbraw/zinc/22/95/83/552229583.db2.gz	WPTSBUVFYSTQQA-UHFFFAOYSA-N	1	0	354.454	1.673	20	30		FDEDRO
COCC[N@H+](CCC(=O)Nc1sccc1C#N)C[C@H](O)C(F)(F)F	ZINC000594017452	552237942	/nfs/dbraw/zinc/23/79/42/552237942.db2.gz	FMFZZXYABNQBNK-NSHDSACASA-N	1	0	365.377	1.820	20	30		FDEDRO
COC(=O)[C@]12C[N@H+](CC(=O)NCc3ccc(C#N)cc3)C[C@H]1CCCC2	ZINC000594015858	552238216	/nfs/dbraw/zinc/23/82/16/552238216.db2.gz	QIJQRQOXVFMHSK-YLJYHZDGSA-N	1	0	355.438	1.840	20	30		FDEDRO
C=CCOC[C@@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)C(=O)OC	ZINC000594351177	552293927	/nfs/dbraw/zinc/29/39/27/552293927.db2.gz	GUTFPHWFUUNMGG-HUUCEWRRSA-N	1	0	356.488	1.064	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1	ZINC000594425867	552308281	/nfs/dbraw/zinc/30/82/81/552308281.db2.gz	BHCTXLKZDGTTBO-HNNXBMFYSA-N	1	0	372.425	1.111	20	30		FDEDRO
CCS(=O)(=O)Nc1ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc1OC	ZINC000594428528	552308784	/nfs/dbraw/zinc/30/87/84/552308784.db2.gz	MPWPFQFPDHIDCD-CYBMUJFWSA-N	1	0	368.459	1.807	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1	ZINC000594432639	552309090	/nfs/dbraw/zinc/30/90/90/552309090.db2.gz	FPFOMSWOUBNUQB-WBVHZDCISA-N	1	0	358.442	1.194	20	30		FDEDRO
CC(=O)N1CCN(c2ccccc2CNC(=O)[C@H]([NH3+])CCCCC#N)CC1	ZINC000594437051	552309848	/nfs/dbraw/zinc/30/98/48/552309848.db2.gz	HVHIXTLPODFFKO-GOSISDBHSA-N	1	0	371.485	1.383	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1	ZINC000594439363	552310452	/nfs/dbraw/zinc/31/04/52/552310452.db2.gz	UZCTWORPKVQEAR-GOSISDBHSA-N	1	0	371.485	1.253	20	30		FDEDRO
C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000594439037	552310629	/nfs/dbraw/zinc/31/06/29/552310629.db2.gz	NCYNSAUNIFKMPS-UHOSZYNNSA-N	1	0	358.486	1.803	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N1CCN(c2ncnc3sccc32)CC1	ZINC000594441919	552311140	/nfs/dbraw/zinc/31/11/40/552311140.db2.gz	YLVDVALIXHMTGJ-AWEZNQCLSA-N	1	0	358.471	1.751	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)NCc1cccc(N2CCCS2(=O)=O)c1	ZINC000594444758	552311812	/nfs/dbraw/zinc/31/18/12/552311812.db2.gz	CJEWNXIDTPDQRM-MRXNPFEDSA-N	1	0	364.471	1.254	20	30		FDEDRO
COc1ccc(CN2CC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C2=O)cc1	ZINC000594447937	552312629	/nfs/dbraw/zinc/31/26/29/552312629.db2.gz	YCBOIRDGFLLNIP-IRXDYDNUSA-N	1	0	358.442	1.324	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1	ZINC000594472146	552318548	/nfs/dbraw/zinc/31/85/48/552318548.db2.gz	YBHFQPKTNLNXGA-KFWWJZLASA-N	1	0	351.472	1.643	20	30		FDEDRO
N#Cc1ccc2c(c1)CN(C(=O)C(=O)Nc1cnc3c(c1)C[C@@H]([NH3+])CC3)C2	ZINC000594531483	552329288	/nfs/dbraw/zinc/32/92/88/552329288.db2.gz	BRFXJMBMWOXPII-INIZCTEOSA-N	1	0	361.405	1.250	20	30		FDEDRO
CC(=O)NCc1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1	ZINC000594718873	552363065	/nfs/dbraw/zinc/36/30/65/552363065.db2.gz	WZCFRYFAIIHKEE-UHFFFAOYSA-N	1	0	372.450	1.153	20	30		FDEDRO
Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC[C@](C)(O)C[NH+](C)C	ZINC000594766398	552376621	/nfs/dbraw/zinc/37/66/21/552376621.db2.gz	VMKKCYWRXKLIKG-INIZCTEOSA-N	1	0	367.496	1.672	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCC2CC[NH+](C3CCOCC3)CC2)cc1	ZINC000594792825	552386563	/nfs/dbraw/zinc/38/65/63/552386563.db2.gz	RPBXNWPOOKNKSW-UHFFFAOYSA-N	1	0	363.483	1.728	20	30		FDEDRO
CC(C)(CC#N)CS(=O)(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1	ZINC000594816550	552396283	/nfs/dbraw/zinc/39/62/83/552396283.db2.gz	IMSVYUXGTYNDKP-QGZVFWFLSA-N	1	0	365.499	1.612	20	30		FDEDRO
Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCN(C)C[C@H]1C[NH3+]	ZINC000595108935	552453616	/nfs/dbraw/zinc/45/36/16/552453616.db2.gz	RFSXJVJRYCFZDB-CYBMUJFWSA-N	1	0	364.496	1.345	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1C#N	ZINC000595113931	552455129	/nfs/dbraw/zinc/45/51/29/552455129.db2.gz	PLSOPGVXVCUPLB-USXIJHARSA-N	1	0	364.471	1.311	20	30		FDEDRO
CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)N(C)CCC#N)cc1	ZINC000595120774	552457411	/nfs/dbraw/zinc/45/74/11/552457411.db2.gz	VKBDZODOUPIKAP-IRXDYDNUSA-N	1	0	366.487	1.211	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1	ZINC000595132606	552462070	/nfs/dbraw/zinc/46/20/70/552462070.db2.gz	SESFJJWCQVNELS-UHFFFAOYSA-N	1	0	353.532	1.746	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N1CC[C@](C)(C#N)C1	ZINC000595163343	552473313	/nfs/dbraw/zinc/47/33/13/552473313.db2.gz	JVUOJXHQDCHQQI-DYESRHJHSA-N	1	0	368.481	1.872	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1	ZINC000595195091	552486156	/nfs/dbraw/zinc/48/61/56/552486156.db2.gz	ZAYLZZRVLHVXJL-GFCCVEGCSA-N	1	0	366.368	1.699	20	30		FDEDRO
CC(C)[C@H]([NH3+])CCNC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1	ZINC000595231908	552499345	/nfs/dbraw/zinc/49/93/45/552499345.db2.gz	HOJWXTRZCXQBMS-IUODEOHRSA-N	1	0	352.460	1.867	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)ccc1F	ZINC000595239486	552502306	/nfs/dbraw/zinc/50/23/06/552502306.db2.gz	AAIBIYYSFUHTPM-CQSZACIVSA-N	1	0	358.417	1.874	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1	ZINC000595240099	552502794	/nfs/dbraw/zinc/50/27/94/552502794.db2.gz	OEVJNQMDKFVVTN-MRXNPFEDSA-N	1	0	370.453	1.744	20	30		FDEDRO
N#Cc1ccc(CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)cc1	ZINC000595240869	552502872	/nfs/dbraw/zinc/50/28/72/552502872.db2.gz	WJOFJKBJDAHHDL-UHFFFAOYSA-N	1	0	364.405	1.338	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)ccc1Br	ZINC000595241683	552503215	/nfs/dbraw/zinc/50/32/15/552503215.db2.gz	HKJUQNRWPPRMMQ-VXGBXAGGSA-N	1	0	369.194	1.157	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)c1	ZINC000595277736	552510870	/nfs/dbraw/zinc/51/08/70/552510870.db2.gz	PKCYJMRWHROHJA-GOSISDBHSA-N	1	0	354.454	1.413	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1	ZINC000595284599	552511497	/nfs/dbraw/zinc/51/14/97/552511497.db2.gz	VIYYXUCJCPMDOF-LJQANCHMSA-N	1	0	368.481	1.607	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCCC[C@@H]1C[NH+](C)C	ZINC000595346955	552532719	/nfs/dbraw/zinc/53/27/19/552532719.db2.gz	ZCAVQIFLOICYGH-CQSZACIVSA-N	1	0	365.455	1.450	20	30		FDEDRO
CO[C@@H](C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@H]1CCOC1	ZINC000595355840	552534949	/nfs/dbraw/zinc/53/49/49/552534949.db2.gz	RRGCZFSEFATRSS-YOEHRIQHSA-N	1	0	372.425	1.980	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ccc1Cl	ZINC000595383229	552543727	/nfs/dbraw/zinc/54/37/27/552543727.db2.gz	BDEKOUNSVATLKL-CQSZACIVSA-N	1	0	369.874	1.431	20	30		FDEDRO
N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1	ZINC000595384028	552544029	/nfs/dbraw/zinc/54/40/29/552544029.db2.gz	HUEHHKOWFTVASR-AWEZNQCLSA-N	1	0	369.874	1.431	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)CCO1	ZINC000595405159	552551556	/nfs/dbraw/zinc/55/15/56/552551556.db2.gz	USEBUIJRBMRPHP-OAHLLOKOSA-N	1	0	355.435	1.429	20	30		FDEDRO
N#CC[C@H]1CCCN(CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)C1	ZINC000595621056	552593943	/nfs/dbraw/zinc/59/39/43/552593943.db2.gz	RVPJTEGBXKZYME-GFCCVEGCSA-N	1	0	359.821	1.880	20	30		FDEDRO
CCNC(=O)CC[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595726428	552607267	/nfs/dbraw/zinc/60/72/67/552607267.db2.gz	NLAACCJTGFYEMF-UHFFFAOYSA-N	1	0	352.442	1.597	20	30		FDEDRO
CCOC(=O)CCCNC(=O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1	ZINC000595772188	552613584	/nfs/dbraw/zinc/61/35/84/552613584.db2.gz	GNAIUXXTHDMTFQ-UHFFFAOYSA-N	1	0	373.453	1.613	20	30		FDEDRO
CCC[N@H+](C)CC(C)(C)NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000595872710	552626853	/nfs/dbraw/zinc/62/68/53/552626853.db2.gz	FKSPQIDDNBCGTK-QGZVFWFLSA-N	1	0	351.539	1.389	20	30		FDEDRO
C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595969431	552639945	/nfs/dbraw/zinc/63/99/45/552639945.db2.gz	FOMRPLUCBYMRNS-RHSMWYFYSA-N	1	0	364.453	1.595	20	30		FDEDRO
CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000595980448	552640857	/nfs/dbraw/zinc/64/08/57/552640857.db2.gz	ICERVNMHSDJRGP-UHFFFAOYSA-N	1	0	358.442	1.124	20	30		FDEDRO
CNC(=O)CC1(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CCCCC1	ZINC000596066156	552651565	/nfs/dbraw/zinc/65/15/65/552651565.db2.gz	ZGLCMTGOFRVRDA-QGZVFWFLSA-N	1	0	359.470	1.974	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]CCN2C[C@@H]3CCCCN3C2=O)cc1	ZINC000596064982	552651580	/nfs/dbraw/zinc/65/15/80/552651580.db2.gz	MEZFFPJEYIIPCT-DLBZAZTESA-N	1	0	358.442	1.178	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]CCN2C[C@H]3CCCCN3C2=O)cc1	ZINC000596064983	552651730	/nfs/dbraw/zinc/65/17/30/552651730.db2.gz	MEZFFPJEYIIPCT-IAGOWNOFSA-N	1	0	358.442	1.178	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CC2(CC(N)=O)CCCCC2)cc1	ZINC000596067796	552651959	/nfs/dbraw/zinc/65/19/59/552651959.db2.gz	AXFHSGJULWWPTE-UHFFFAOYSA-N	1	0	363.483	1.747	20	30		FDEDRO
Cc1cc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc(C#N)c1[N+](=O)[O-]	ZINC000596170146	552661842	/nfs/dbraw/zinc/66/18/42/552661842.db2.gz	WZUPSIWDCRPINU-MRXNPFEDSA-N	1	0	357.414	1.518	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCc2nn[nH]c21	ZINC000596828457	552715163	/nfs/dbraw/zinc/71/51/63/552715163.db2.gz	KDNUACNJYDVSDR-INIZCTEOSA-N	1	0	352.442	1.687	20	30		FDEDRO
COC(=O)[C@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000596960361	552728990	/nfs/dbraw/zinc/72/89/90/552728990.db2.gz	OJPBNZBCTKRWMV-QAQDUYKDSA-N	1	0	358.442	1.583	20	30		FDEDRO
C[N@H+](Cc1ccc2nc(NC(=O)NCC(=O)NCC#N)sc2c1)C1CC1	ZINC000597000566	552733025	/nfs/dbraw/zinc/73/30/25/552733025.db2.gz	VIHQWKJZIDYVOD-UHFFFAOYSA-N	1	0	372.454	1.652	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCCCC1	ZINC000597167937	552756725	/nfs/dbraw/zinc/75/67/25/552756725.db2.gz	BVDUKGMLMXJVGG-GOSISDBHSA-N	1	0	368.481	1.967	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000597170014	552757137	/nfs/dbraw/zinc/75/71/37/552757137.db2.gz	KGNVCHSEHVQDEZ-KRWDZBQOSA-N	1	0	361.511	1.803	20	30		FDEDRO
N#CC1(CC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CCOCC1	ZINC000597329682	552775767	/nfs/dbraw/zinc/77/57/67/552775767.db2.gz	PECBSSDRJCQUFL-UHFFFAOYSA-N	1	0	371.481	1.970	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)cc1	ZINC000597345838	552777701	/nfs/dbraw/zinc/77/77/01/552777701.db2.gz	GCAJUIMWZFWNIN-UHFFFAOYSA-N	1	0	368.481	1.607	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1	ZINC000597380617	552782168	/nfs/dbraw/zinc/78/21/68/552782168.db2.gz	MRXGGXGBWMQRLF-MSOLQXFVSA-N	1	0	350.507	1.084	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CCCCC1	ZINC000597398278	552784184	/nfs/dbraw/zinc/78/41/84/552784184.db2.gz	UWVMAXLXIYPNIT-UHFFFAOYSA-N	1	0	355.442	1.320	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(C(=O)CC2(C#N)CCOCC2)CC1	ZINC000597646453	552817243	/nfs/dbraw/zinc/81/72/43/552817243.db2.gz	XHNMMAHXOJFYIB-UHFFFAOYSA-N	1	0	367.490	1.283	20	30		FDEDRO
C[C@@H](CC#N)C(=O)N(C)CCN(CC[NH+]1CCCC1)C(=O)[C@@H](C)CC#N	ZINC000597648055	552817245	/nfs/dbraw/zinc/81/72/45/552817245.db2.gz	CYTHMECCIUITCB-IRXDYDNUSA-N	1	0	361.490	1.469	20	30		FDEDRO
CC(C)C[C@H](NC(=O)c1ccc(C#N)s1)C(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000597693249	552823006	/nfs/dbraw/zinc/82/30/06/552823006.db2.gz	UASFNNMXRIVOOT-HIFRSBDPSA-N	1	0	362.499	1.927	20	30		FDEDRO
C=CCCSCCNC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1	ZINC000597972674	552852454	/nfs/dbraw/zinc/85/24/54/552852454.db2.gz	OTLSJSUNVYAECA-CVEARBPZSA-N	1	0	353.532	1.745	20	30		FDEDRO
N#Cc1ccccc1OCC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1	ZINC000597989987	552853224	/nfs/dbraw/zinc/85/32/24/552853224.db2.gz	JBIXAGYHNBHVGT-IBGZPJMESA-N	1	0	365.433	1.820	20	30		FDEDRO
COC(=O)C[C@H]1CCCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O	ZINC000599279427	553013470	/nfs/dbraw/zinc/01/34/70/553013470.db2.gz	ONOYNULIPJBQPE-OAHLLOKOSA-N	1	0	354.406	1.704	20	30		FDEDRO
CCN(C[C@@H](O)COc1ccccc1C#N)[C@@H](C)CS(=O)(=O)CC	ZINC000599293130	553017606	/nfs/dbraw/zinc/01/76/06/553017606.db2.gz	OHKRCTPIKZUDPN-GOEBONIOSA-N	1	0	354.472	1.443	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1ccc(Cl)c(F)c1	ZINC000599343025	553032513	/nfs/dbraw/zinc/03/25/13/553032513.db2.gz	LPTGVQGXCMZUSK-UHFFFAOYSA-N	1	0	364.812	2.159	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)CCOCC1	ZINC000599346225	553033298	/nfs/dbraw/zinc/03/32/98/553033298.db2.gz	BGKPKKZTYRRQIE-UXHICEINSA-N	1	0	373.497	1.721	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH+]2CCC(c3nnc4n3CCCC4)CC2)CCOCC1	ZINC000599371515	553038354	/nfs/dbraw/zinc/03/83/54/553038354.db2.gz	OXMBWXRSWCXVMD-QGZVFWFLSA-N	1	0	373.501	1.865	20	30		FDEDRO
COC(=O)C[C@@](C)([NH2+]C[C@H](O)COc1ccccc1C#N)c1ccccn1	ZINC000599382071	553041266	/nfs/dbraw/zinc/04/12/66/553041266.db2.gz	SDEHHIVSCKSAOO-OXJNMPFZSA-N	1	0	369.421	1.761	20	30		FDEDRO
C[C@@H]1C[C@]2(CCO1)C[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)C[C@@H](C)O2	ZINC000599400811	553046971	/nfs/dbraw/zinc/04/69/71/553046971.db2.gz	YJRGMQUAGYZRBO-YWTNHNAXSA-N	1	0	352.475	1.716	20	30		FDEDRO
CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC#CCN1C(=O)c2ccccc2C1=O	ZINC000599433659	553056218	/nfs/dbraw/zinc/05/62/18/553056218.db2.gz	VHMGJPDRPCGNSO-MSOLQXFVSA-N	1	0	368.433	1.998	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C	ZINC000599441614	553057762	/nfs/dbraw/zinc/05/77/62/553057762.db2.gz	FHUMYFIDYZEPGG-SOLBZPMBSA-N	1	0	364.515	1.823	20	30		FDEDRO
C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)N(C)CCC#N	ZINC000599442244	553058120	/nfs/dbraw/zinc/05/81/20/553058120.db2.gz	RMXBKGNQCINWGO-NVXWUHKLSA-N	1	0	350.488	1.577	20	30		FDEDRO
C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)N(C)CCC#N	ZINC000599442246	553058219	/nfs/dbraw/zinc/05/82/19/553058219.db2.gz	RMXBKGNQCINWGO-WBVHZDCISA-N	1	0	350.488	1.577	20	30		FDEDRO
CNC(=O)c1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c(OC)c1	ZINC000599829427	553157427	/nfs/dbraw/zinc/15/74/27/553157427.db2.gz	ZOSJGOWCGKBKOU-UHFFFAOYSA-N	1	0	361.446	1.754	20	30		FDEDRO
C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[NH2+]1	ZINC000599895810	553170355	/nfs/dbraw/zinc/17/03/55/553170355.db2.gz	LERRIRUKTOEAAO-BXKDBHETSA-N	1	0	354.332	1.772	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1F	ZINC000599901208	553171571	/nfs/dbraw/zinc/17/15/71/553171571.db2.gz	YBWZMBDSSNVBMV-PWSUYJOCSA-N	1	0	372.322	1.622	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1F	ZINC000599903589	553171592	/nfs/dbraw/zinc/17/15/92/553171592.db2.gz	GPLOBLGVTFUWGO-MRXNPFEDSA-N	1	0	374.416	1.253	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)c(F)cc1C#N	ZINC000599936319	553177620	/nfs/dbraw/zinc/17/76/20/553177620.db2.gz	OGWBACFITMHZLP-UHFFFAOYSA-N	1	0	362.405	1.637	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)c(F)cc1C#N	ZINC000599940041	553179353	/nfs/dbraw/zinc/17/93/53/553179353.db2.gz	IIZKDMNUNFMLMA-LBPRGKRZSA-N	1	0	362.405	1.493	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c(F)cc1C#N	ZINC000599971140	553189206	/nfs/dbraw/zinc/18/92/06/553189206.db2.gz	LMSVJRIKFPRVKK-ZDUSSCGKSA-N	1	0	362.405	1.633	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c(F)cc1C#N	ZINC000599993513	553195910	/nfs/dbraw/zinc/19/59/10/553195910.db2.gz	VHNVHXNTYIQXBJ-GOEBONIOSA-N	1	0	374.416	1.778	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCn1c(=O)oc2ccccc21	ZINC000600720914	553307162	/nfs/dbraw/zinc/30/71/62/553307162.db2.gz	IYPTYMUTUCMZKB-HNNXBMFYSA-N	1	0	353.378	1.496	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]CCCN2C(=O)COc3ccccc32)CCOCC1	ZINC000600723198	553307735	/nfs/dbraw/zinc/30/77/35/553307735.db2.gz	KEHGRROYOSNVRT-MRXNPFEDSA-N	1	0	373.453	1.463	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]CCNC(=O)CC2CCCCC2)CCOCC1	ZINC000600725814	553308154	/nfs/dbraw/zinc/30/81/54/553308154.db2.gz	YSPRPMJJAQHPEG-QGZVFWFLSA-N	1	0	351.491	1.734	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]Cc1ccc2c(c1)CCS2(=O)=O	ZINC000600728641	553308274	/nfs/dbraw/zinc/30/82/74/553308274.db2.gz	AFTWJBUKVUSXMC-QGZVFWFLSA-N	1	0	372.446	1.418	20	30		FDEDRO
C[C@@H]1[C@@H]([NH2+]C[C@H](O)CC2(C#N)CCOCC2)CC(=O)N1Cc1ccccc1	ZINC000600737911	553309284	/nfs/dbraw/zinc/30/92/84/553309284.db2.gz	XEAKFSQDUFLTIL-QRQLOZEOSA-N	1	0	371.481	1.837	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+][C@@H]2CCCN(c3cccnc3)C2=O)CCOCC1	ZINC000600735315	553309420	/nfs/dbraw/zinc/30/94/20/553309420.db2.gz	NOEUMLGZFRECCZ-IAGOWNOFSA-N	1	0	358.442	1.238	20	30		FDEDRO
CN1C(=O)c2ccccc2[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000600756775	553311895	/nfs/dbraw/zinc/31/18/95/553311895.db2.gz	PJIDOKFOJBAJDH-UZLBHIALSA-N	1	0	365.433	1.909	20	30		FDEDRO
Cc1cc(NCC[NH2+]C[C@H](O)CC2(C#N)CCOCC2)nc(C(C)C)n1	ZINC000600762278	553312564	/nfs/dbraw/zinc/31/25/64/553312564.db2.gz	PZZUFLZPOSLBQZ-MRXNPFEDSA-N	1	0	361.490	1.981	20	30		FDEDRO
C[NH+](C)CCN1C[C@@H](C(=O)N2CCc3c(CC#N)cccc3C2)CC1=O	ZINC000600782086	553314184	/nfs/dbraw/zinc/31/41/84/553314184.db2.gz	JFHVJNPPSNMAFK-KRWDZBQOSA-N	1	0	354.454	1.047	20	30		FDEDRO
C[NH+](C)CCn1cc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cn1	ZINC000601036136	553342292	/nfs/dbraw/zinc/34/22/92/553342292.db2.gz	RQUVQVYIZJZNNU-UHFFFAOYSA-N	1	0	369.425	1.776	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2cn(CC(=O)OC(C)(C)C)nn2)CC1	ZINC000601039585	553342589	/nfs/dbraw/zinc/34/25/89/553342589.db2.gz	DFMQPIJIMDRHLT-UHFFFAOYSA-N	1	0	363.462	1.390	20	30		FDEDRO
C[NH+](C)CCn1cc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cn1	ZINC000601041070	553342796	/nfs/dbraw/zinc/34/27/96/553342796.db2.gz	DJMNMJDYIYYQDS-UHFFFAOYSA-N	1	0	367.453	2.000	20	30		FDEDRO
CCOC(=O)C1(C)CC([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000601278582	553367952	/nfs/dbraw/zinc/36/79/52/553367952.db2.gz	WDKCXYPFXTWMJC-GNZRSQJKSA-N	1	0	355.438	1.981	20	30		FDEDRO
CC(C)CN(c1ccc(C#N)cc1)S(=O)(=O)C[C@H]1CN(C)CCO1	ZINC000601323912	553375799	/nfs/dbraw/zinc/37/57/99/553375799.db2.gz	QWGUFKPFMQFMSN-QGZVFWFLSA-N	1	0	351.472	1.681	20	30		FDEDRO
C[NH+](C)CC1CN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1	ZINC000601424002	553402086	/nfs/dbraw/zinc/40/20/86/553402086.db2.gz	TWODEDVIJQIQAJ-UHFFFAOYSA-N	1	0	358.261	1.503	20	30		FDEDRO
C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000601575496	553438489	/nfs/dbraw/zinc/43/84/89/553438489.db2.gz	QOPNURBNQMORCA-WCBMZHEXSA-N	1	0	351.204	1.207	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(C(=O)c2ccccc2CC#N)CC1	ZINC000601574893	553438515	/nfs/dbraw/zinc/43/85/15/553438515.db2.gz	CKUHXIBUGZDYTE-UHFFFAOYSA-N	1	0	359.470	1.952	20	30		FDEDRO
C[NH+](C)CCn1cc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)cn1	ZINC000601684486	553458740	/nfs/dbraw/zinc/45/87/40/553458740.db2.gz	QUKJPSUOEYRTDD-UHFFFAOYSA-N	1	0	367.453	1.752	20	30		FDEDRO
N#Cc1ncn(CC(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)n1	ZINC000601729146	553463753	/nfs/dbraw/zinc/46/37/53/553463753.db2.gz	URUMHNKHLQRUSI-KRWDZBQOSA-N	1	0	352.442	1.711	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCN(CCC#N)CC1	ZINC000601853632	553481611	/nfs/dbraw/zinc/48/16/11/553481611.db2.gz	DRFZTYJGUIGJTN-SJORKVTESA-N	1	0	371.489	1.035	20	30		FDEDRO
N#Cc1cc(F)cc(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1	ZINC000602024745	553502956	/nfs/dbraw/zinc/50/29/56/553502956.db2.gz	OWNSPEXGSPJZBX-UHFFFAOYSA-N	1	0	374.416	1.207	20	30		FDEDRO
CCC1([NH+](C)C)CCN(C(=O)C(=O)Nc2ccc(C#N)cc2OC)CC1	ZINC000602064233	553511587	/nfs/dbraw/zinc/51/15/87/553511587.db2.gz	HHYOJGPCVKWTNI-UHFFFAOYSA-N	1	0	358.442	1.838	20	30		FDEDRO
Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc(C#N)cn3)C2)cc1	ZINC000602073915	553513621	/nfs/dbraw/zinc/51/36/21/553513621.db2.gz	IEQMUCOFLWRRNF-KRWDZBQOSA-N	1	0	363.421	1.591	20	30		FDEDRO
C[NH+](C)CCOc1cc(C(=O)Nc2nc3n(c2C#N)CCS3)ccn1	ZINC000602256901	553550564	/nfs/dbraw/zinc/55/05/64/553550564.db2.gz	JVKDZRZSSGVJFP-UHFFFAOYSA-N	1	0	358.427	1.448	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+]CCNS(=O)(=O)c1ccccc1	ZINC000602528324	553599152	/nfs/dbraw/zinc/59/91/52/553599152.db2.gz	OWTKVBSTHOASJF-OAHLLOKOSA-N	1	0	351.472	1.653	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1	ZINC000602575242	553607352	/nfs/dbraw/zinc/60/73/52/553607352.db2.gz	PPQANTNUMZCCIR-HNAYVOBHSA-N	1	0	357.454	1.943	20	30		FDEDRO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1	ZINC000602727033	553628380	/nfs/dbraw/zinc/62/83/80/553628380.db2.gz	YSRIJTXKHUXROW-PKOBYXMFSA-N	1	0	358.486	1.971	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000602817148	553643651	/nfs/dbraw/zinc/64/36/51/553643651.db2.gz	STGQQKXJNVJJCK-SFHVURJKSA-N	1	0	371.485	1.785	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@](O)(C[NH+](C)C)C1	ZINC000602893352	553663020	/nfs/dbraw/zinc/66/30/20/553663020.db2.gz	UWXGILDFXOJMLN-XLIONFOSSA-N	1	0	358.486	1.710	20	30		FDEDRO
CN1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H](CO)C1	ZINC000602904135	553665292	/nfs/dbraw/zinc/66/52/92/553665292.db2.gz	LXAKNKJYFQGMAZ-ZDUSSCGKSA-N	1	0	362.499	1.435	20	30		FDEDRO
C[NH+](C)C[C@H]1COC2(CCCC2)CN1C[C@@H](O)COc1ccccc1C#N	ZINC000602907141	553666487	/nfs/dbraw/zinc/66/64/87/553666487.db2.gz	NJUQMJVQQZQXRD-RBUKOAKNSA-N	1	0	373.497	1.873	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1	ZINC000602935380	553673835	/nfs/dbraw/zinc/67/38/35/553673835.db2.gz	LWVCWZOQOLUMIT-UAOJZALGSA-N	1	0	368.437	1.306	20	30		FDEDRO
COC[C@]1(C(=O)OC(C)(C)C)CC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1	ZINC000602961324	553680816	/nfs/dbraw/zinc/68/08/16/553680816.db2.gz	NNOSOBSLCUFJEE-KDOFPFPSSA-N	1	0	365.474	1.618	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CC[NH+]1CCN(CCc2cnccn2)CC1	ZINC000602998904	553688721	/nfs/dbraw/zinc/68/87/21/553688721.db2.gz	QWJWRJSOJAVCQD-UHFFFAOYSA-N	1	0	364.453	1.537	20	30		FDEDRO
N#Cc1cc(F)cc(NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)c1	ZINC000603069111	553705605	/nfs/dbraw/zinc/70/56/05/553705605.db2.gz	HMSRAHJDRVZHCC-UHFFFAOYSA-N	1	0	361.421	1.811	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C[C@@H](C)N1CC#N	ZINC000603091845	553707525	/nfs/dbraw/zinc/70/75/25/553707525.db2.gz	OQDWLTKBLLFACA-BFYDXBDKSA-N	1	0	350.532	1.649	20	30		FDEDRO
N#CCSc1ccccc1NC(=O)Cn1cc([C@H]2CCC[NH2+]C2)nn1	ZINC000603178194	553723367	/nfs/dbraw/zinc/72/33/67/553723367.db2.gz	RLDSPQJZINWXLR-ZDUSSCGKSA-N	1	0	356.455	1.999	20	30		FDEDRO
COC[C@@H]([NH3+])Cc1cn(Cc2cc(C#N)ccc2Br)nn1	ZINC000603240874	553740394	/nfs/dbraw/zinc/74/03/94/553740394.db2.gz	GKRBLQHHVLACRE-LBPRGKRZSA-N	1	0	350.220	1.477	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)Cn2cc(C#N)c3ccccc3c2=O)CC1	ZINC000603363354	553772104	/nfs/dbraw/zinc/77/21/04/553772104.db2.gz	ZOWCDHUNVBGRDP-UHFFFAOYSA-N	1	0	352.438	1.862	20	30		FDEDRO
CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)c1cc(C#N)ncn1	ZINC000603402353	553780133	/nfs/dbraw/zinc/78/01/33/553780133.db2.gz	PVWDCKJIACEUHZ-UHFFFAOYSA-N	1	0	364.409	1.012	20	30		FDEDRO
N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCN(CCN3CCOCC3)C1)CC2	ZINC000603429606	553786475	/nfs/dbraw/zinc/78/64/75/553786475.db2.gz	ZMEDIOBBBZMMGN-PZJWPPBQSA-N	1	0	354.498	1.932	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]CCN2CCc3ccccc3C2)cc1	ZINC000603557385	553800463	/nfs/dbraw/zinc/80/04/63/553800463.db2.gz	JWSDRVWLBVHHII-HXUWFJFHSA-N	1	0	351.450	1.946	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCNC(=O)[C@@H]1C(C)C)C(C)C	ZINC000604173111	553849524	/nfs/dbraw/zinc/84/95/24/553849524.db2.gz	AADVPYPJBAJVQG-SJORKVTESA-N	1	0	350.507	1.851	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)nc1	ZINC000604290552	553859670	/nfs/dbraw/zinc/85/96/70/553859670.db2.gz	ZOMHMGNGFAOJOJ-DLBZAZTESA-N	1	0	354.458	1.412	20	30		FDEDRO
Cc1cccc(C)c1OC[C@@H](O)C[NH2+]Cc1cnc2c(C#N)cnn2c1	ZINC000604434803	553877138	/nfs/dbraw/zinc/87/71/38/553877138.db2.gz	OWOQUWYORULBJF-KRWDZBQOSA-N	1	0	351.410	1.747	20	30		FDEDRO
N#Cc1ccc(OC2CC[NH+](C[C@@H](O)COC[C@@H]3CCCO3)CC2)cc1	ZINC000609147519	554343204	/nfs/dbraw/zinc/34/32/04/554343204.db2.gz	ZSARTLKLHAPTBV-XLIONFOSSA-N	1	0	360.454	1.958	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cc(C#N)ccc2OC)CC1=O	ZINC000609213767	554350271	/nfs/dbraw/zinc/35/02/71/554350271.db2.gz	ICMHCHXASPQGEE-CVEARBPZSA-N	1	0	370.453	1.838	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1	ZINC000609286042	554359579	/nfs/dbraw/zinc/35/95/79/554359579.db2.gz	WDKRAJISOPNBHX-AQNXPRMDSA-N	1	0	368.481	1.585	20	30		FDEDRO
CCC[C@@H](C#N)NC(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C	ZINC000609447386	554377651	/nfs/dbraw/zinc/37/76/51/554377651.db2.gz	CWEZRFRHUITBGS-HNNXBMFYSA-N	1	0	352.442	1.986	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCc2ccc(C#N)cc2)CC1	ZINC000609451753	554378193	/nfs/dbraw/zinc/37/81/93/554378193.db2.gz	XXIHEQFPMNDEIN-UHFFFAOYSA-N	1	0	357.458	1.300	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)C1CC[NH+](C)CC1	ZINC000610027336	554450256	/nfs/dbraw/zinc/45/02/56/554450256.db2.gz	CPSQGHWBLJIMHG-HNNXBMFYSA-N	1	0	356.474	1.515	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C	ZINC000610451790	554509374	/nfs/dbraw/zinc/50/93/74/554509374.db2.gz	JOXBKGDTJPLNGY-SJORKVTESA-N	1	0	358.486	1.983	20	30		FDEDRO
CC[N@@H+]1CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C[C@H]1C	ZINC000611088356	554603974	/nfs/dbraw/zinc/60/39/74/554603974.db2.gz	RIJZLFVUQMMPBM-CYBMUJFWSA-N	1	0	354.458	1.703	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cn1	ZINC000611190065	554613782	/nfs/dbraw/zinc/61/37/82/554613782.db2.gz	PIZWNNWOJFBCSR-PKOBYXMFSA-N	1	0	350.422	1.566	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cccc(C#N)c1	ZINC000611387984	554630708	/nfs/dbraw/zinc/63/07/08/554630708.db2.gz	VUFPANDKAOSVSH-HNNXBMFYSA-N	1	0	366.421	1.786	20	30		FDEDRO
CCOC(=O)C1CCN(C(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)CC1	ZINC000611396078	554630879	/nfs/dbraw/zinc/63/08/79/554630879.db2.gz	ISLIIYUPAQWUKT-UHFFFAOYSA-N	1	0	355.438	1.939	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(OCCCO)CC3)C2=O)cc1	ZINC000611516401	554640505	/nfs/dbraw/zinc/64/05/05/554640505.db2.gz	SBUHUABBHRMJFX-IBGZPJMESA-N	1	0	357.454	1.917	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1	ZINC000611557741	554645646	/nfs/dbraw/zinc/64/56/46/554645646.db2.gz	PKVXNTJKGRCEIM-UHFFFAOYSA-N	1	0	365.401	1.541	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000613720124	554958982	/nfs/dbraw/zinc/95/89/82/554958982.db2.gz	NYMOWWNONGMTSE-CTNGQTDRSA-N	1	0	373.497	1.553	20	30		FDEDRO
CCO[C@@H]1C[C@](CO)([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1(C)C	ZINC000614926323	555138706	/nfs/dbraw/zinc/13/87/06/555138706.db2.gz	GSGMKTJWPNJRCR-ILZDJORESA-N	1	0	362.470	1.648	20	30		FDEDRO
CC[C@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)c1ccccc1OCC(=O)NC	ZINC000615794630	555241598	/nfs/dbraw/zinc/24/15/98/555241598.db2.gz	GJYNSSNBMYGALB-HOCLYGCPSA-N	1	0	372.469	1.803	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)N[C@H](C)C3CC[NH+](C)CC3)CC2)c1C#N	ZINC000615955512	555259258	/nfs/dbraw/zinc/25/92/58/555259258.db2.gz	YVYYMOCOBHIVMK-CQSZACIVSA-N	1	0	373.505	1.162	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1	ZINC000617357070	555424466	/nfs/dbraw/zinc/42/44/66/555424466.db2.gz	WTJCLPAJQMUDIM-OAHLLOKOSA-N	1	0	365.499	1.754	20	30		FDEDRO
N#C[C@@]1(F)CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1	ZINC000617530416	555462578	/nfs/dbraw/zinc/46/25/78/555462578.db2.gz	OKKDYTLMPKNJPB-MJGOQNOKSA-N	1	0	360.433	1.925	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(CC)[C@H]2CC[N@H+](C)C2)cc1	ZINC000617560171	555467683	/nfs/dbraw/zinc/46/76/83/555467683.db2.gz	JABOUMQPECALFQ-HNNXBMFYSA-N	1	0	351.472	1.317	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(CC)[C@@H]2CC[N@H+](CC)C2)c1	ZINC000617933021	555542759	/nfs/dbraw/zinc/54/27/59/555542759.db2.gz	DDKVPJRSESGZHM-MRXNPFEDSA-N	1	0	365.499	1.707	20	30		FDEDRO
C=CCC1(NC(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)CCOCC1	ZINC000618248226	555599448	/nfs/dbraw/zinc/59/94/48/555599448.db2.gz	ZWZVDJUKVYZIOF-SJORKVTESA-N	1	0	363.502	1.561	20	30		FDEDRO
CC(C)[C@@H]([NH2+]Cc1ccnc(C#N)c1)C(=O)N(C)Cc1nnc2n1CCC2	ZINC000619297701	555758515	/nfs/dbraw/zinc/75/85/15/555758515.db2.gz	FLJNSTSPHQVWSQ-GOSISDBHSA-N	1	0	367.457	1.264	20	30		FDEDRO
CC1(C)C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C[C@]2(CCOC2)O1	ZINC000619516436	555793466	/nfs/dbraw/zinc/79/34/66/555793466.db2.gz	ASDFIMYEKPXSRP-XLIONFOSSA-N	1	0	360.454	1.762	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc1	ZINC000621147978	556037224	/nfs/dbraw/zinc/03/72/24/556037224.db2.gz	DISNVRPVKDGBJV-MRXNPFEDSA-N	1	0	351.472	1.221	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NCC[C@H](C)[NH3+])cc1	ZINC000621831467	556163891	/nfs/dbraw/zinc/16/38/91/556163891.db2.gz	GBONJJWDSGKMJK-AWEZNQCLSA-N	1	0	358.442	1.293	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1	ZINC000623203733	556376319	/nfs/dbraw/zinc/37/63/19/556376319.db2.gz	JHJOFPYAADVTJV-GOSISDBHSA-N	1	0	357.454	1.806	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1c[nH]nc1CN1C(=O)c2ccccc2C1=O	ZINC000623553983	556442887	/nfs/dbraw/zinc/44/28/87/556442887.db2.gz	NCYYWXWVVVFACE-UGSOOPFHSA-N	1	0	366.421	1.887	20	30		FDEDRO
C=CC[C@@H]1CCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1	ZINC000623566802	556444850	/nfs/dbraw/zinc/44/48/50/556444850.db2.gz	AIOVSOQWCCKQSV-GOSISDBHSA-N	1	0	372.517	1.986	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc1	ZINC000624567235	556607141	/nfs/dbraw/zinc/60/71/41/556607141.db2.gz	XIHIWBXKMUJZMM-INIZCTEOSA-N	1	0	365.499	1.754	20	30		FDEDRO
C=CCn1c(-c2cn[nH]c2)nnc1N1CCN(c2cc[nH+]cc2OC)CC1	ZINC000624849981	556655166	/nfs/dbraw/zinc/65/51/66/556655166.db2.gz	HZGMQFCYDDPJOD-UHFFFAOYSA-N	1	0	366.429	1.584	20	30		FDEDRO
Cc1ccsc1[C@@H](CO)[NH2+]CC#CCN1C(=O)c2ccccc2C1=O	ZINC000625333661	556777118	/nfs/dbraw/zinc/77/71/18/556777118.db2.gz	NECPEYRZGPOQFB-MRXNPFEDSA-N	1	0	354.431	1.979	20	30		FDEDRO
Cc1ccsc1[C@H](CO)[NH2+]CC#CCN1C(=O)c2ccccc2C1=O	ZINC000625333657	556777271	/nfs/dbraw/zinc/77/72/71/556777271.db2.gz	NECPEYRZGPOQFB-INIZCTEOSA-N	1	0	354.431	1.979	20	30		FDEDRO
CCO[C@H]1C[C@@](CO)([NH2+]CC#CCN2C(=O)c3ccccc3C2=O)C1(C)C	ZINC000625362074	556783708	/nfs/dbraw/zinc/78/37/08/556783708.db2.gz	WCRLCZCCNHQAFV-UWJYYQICSA-N	1	0	370.449	1.442	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)C(C)C	ZINC000625557672	556852844	/nfs/dbraw/zinc/85/28/44/556852844.db2.gz	QKWZOMVVJCODAF-FUHWJXTLSA-N	1	0	373.501	1.588	20	30		FDEDRO
C=CC[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1	ZINC000625701800	556906340	/nfs/dbraw/zinc/90/63/40/556906340.db2.gz	BHBPYKXCROMUQX-GOSISDBHSA-N	1	0	371.481	1.673	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2	ZINC000626822729	557179716	/nfs/dbraw/zinc/17/97/16/557179716.db2.gz	VRTYDUHTOKKRFS-RHSMWYFYSA-N	1	0	359.426	1.205	20	30		FDEDRO
[NH3+]C1(CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCOCC1	ZINC000626929504	557232444	/nfs/dbraw/zinc/23/24/44/557232444.db2.gz	WPNVAAUPCHREEH-UHFFFAOYSA-N	1	0	355.360	1.864	20	30		FDEDRO
C=CCc1cc(CNS(=O)(=O)CCC[NH+](C)C)cc(OC)c1OC	ZINC000631850484	558053636	/nfs/dbraw/zinc/05/36/36/558053636.db2.gz	SUNGSFVDTHEEEZ-UHFFFAOYSA-N	1	0	356.488	1.803	20	30		FDEDRO
C=CCn1c(COCCOC)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1	ZINC000634338539	558451981	/nfs/dbraw/zinc/45/19/81/558451981.db2.gz	COYQADRPWRCUHC-MRXNPFEDSA-N	1	0	363.506	1.938	20	30		FDEDRO
CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000290961744	567898181	/nfs/dbraw/zinc/89/81/81/567898181.db2.gz	NMKQXVYMXHCEJZ-INIZCTEOSA-N	1	0	358.490	1.905	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)Cc3cn4ccccc4n3)CC2)c1C#N	ZINC000291270564	568093343	/nfs/dbraw/zinc/09/33/43/568093343.db2.gz	ZKWNVZWHUHNGNO-UHFFFAOYSA-N	1	0	366.450	1.862	20	30		FDEDRO
C=C[C@@H](O)C(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1	ZINC000669167917	568181859	/nfs/dbraw/zinc/18/18/59/568181859.db2.gz	DVVPIBLEISHTGW-OAHLLOKOSA-N	1	0	357.376	1.620	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(CO)(Cc2ccccc2)CC1	ZINC000365320261	568498371	/nfs/dbraw/zinc/49/83/71/568498371.db2.gz	DRPMWGJEYMPYBR-INIZCTEOSA-N	1	0	359.470	1.704	20	30		FDEDRO
CC[N@@H+]1CCc2c(cccc2-n2nnc(C(=O)NC3(C#N)CC3)c2C)C1	ZINC000365390747	568596524	/nfs/dbraw/zinc/59/65/24/568596524.db2.gz	KJXQQAJDDOCSIV-UHFFFAOYSA-N	1	0	350.426	1.740	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@@H](C)CC(=O)Nc1ccc(OC)cc1OC	ZINC000272832553	674478927	/nfs/dbraw/zinc/47/89/27/674478927.db2.gz	IBWNJMDMDAIUEH-ZDUSSCGKSA-N	1	0	370.471	1.611	20	30		FDEDRO
Cc1[nH]c(C(O)=CONC(=[NH2+])c2ccc(C[NH+](C)C)cc2)c(C)c1C(=O)[O-]	ZINC000832842719	601353654	/nfs/dbraw/zinc/35/36/54/601353654.db2.gz	CRNLLKSWHIQENV-UHFFFAOYSA-N	1	0	372.425	1.911	20	30		FDEDRO
C=CC[C@@H](CO)[NH2+]Cc1ccc(O[C@H](C)C(=O)N(C)C)c(OCC)c1	ZINC000273355881	674530665	/nfs/dbraw/zinc/53/06/65/674530665.db2.gz	BVDMUIXNKYEKLP-ZBFHGGJFSA-N	1	0	350.459	1.967	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NCCc1cn2cc(Br)cc(C)c2n1	ZINC000273489082	674542220	/nfs/dbraw/zinc/54/22/20/674542220.db2.gz	MVNIVKLYESEPDI-NSHDSACASA-N	1	0	368.279	1.887	20	30		FDEDRO
C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)N[C@H]1C[N@H+](CC)C[C@H]1C	ZINC000819743147	606735633	/nfs/dbraw/zinc/73/56/33/606735633.db2.gz	DIWZMHFJJDGIOI-PBHICJAKSA-N	1	0	369.473	1.905	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H](OCCO)C1)C(C)C	ZINC000275791636	674640255	/nfs/dbraw/zinc/64/02/55/674640255.db2.gz	VUWKFYGCSJIPPD-ZWKOTPCHSA-N	1	0	353.507	1.868	20	30		FDEDRO
C[NH+]1CCC(N(Cc2ccco2)S(=O)(=O)c2cccnc2C#N)CC1	ZINC000277072235	674851485	/nfs/dbraw/zinc/85/14/85/674851485.db2.gz	SOPSUZAVQJUZPW-UHFFFAOYSA-N	1	0	360.439	1.831	20	30		FDEDRO
Cc1cc(S(=O)(=O)NCC2(O)CC[NH+](C(C)C)CC2)ccc1C#N	ZINC000278086154	675091212	/nfs/dbraw/zinc/09/12/12/675091212.db2.gz	VFAUCHPKYWJLDH-UHFFFAOYSA-N	1	0	351.472	1.380	20	30		FDEDRO
C#CCOc1ccc(Br)cc1C[NH2+]C[C@H]1CCS(=O)(=O)C1	ZINC000041637925	670900368	/nfs/dbraw/zinc/90/03/68/670900368.db2.gz	ZQBDVXITDCNLER-GFCCVEGCSA-N	1	0	372.284	1.985	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](CC(C)C)[NH+](C)C)cc1	ZINC000042587393	670924731	/nfs/dbraw/zinc/92/47/31/670924731.db2.gz	HQVKLTJQNZRECM-INIZCTEOSA-N	1	0	365.499	1.304	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC2CCN(C(=O)OCC)CC2)CC1	ZINC000078533592	671441440	/nfs/dbraw/zinc/44/14/40/671441440.db2.gz	YUJZTGDGWNTXBB-UHFFFAOYSA-N	1	0	352.479	1.947	20	30		FDEDRO
C=C(Br)CNC(=[NH+]CC)N1CCN(C(=O)c2ccco2)CC1	ZINC000114002135	671648653	/nfs/dbraw/zinc/64/86/53/671648653.db2.gz	TZKHDXAMGJRKSL-UHFFFAOYSA-N	1	0	369.263	1.912	20	30		FDEDRO
CC[C@H](CS(=O)(=O)c1ccccc1)NC(=[NH2+])NC[C@@H]1CCCN1CC	ZINC000130860378	671798360	/nfs/dbraw/zinc/79/83/60/671798360.db2.gz	DVLRPRFXWZUUQP-CVEARBPZSA-N	1	0	366.531	1.628	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NC[C@H]2CCCN2S(C)(=O)=O)cc1Cl	ZINC000133927390	671824294	/nfs/dbraw/zinc/82/42/94/671824294.db2.gz	MIZLFRJFSCENAO-LLVKDONJSA-N	1	0	360.867	1.499	20	30		FDEDRO
CCC(CC)(CO)CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000133958232	671824818	/nfs/dbraw/zinc/82/48/18/671824818.db2.gz	BMOOGSPLMQEOGS-CQSZACIVSA-N	1	0	354.495	1.666	20	30		FDEDRO
C=CCc1cc(OCC)cc(C[N@@H+]2CC[C@@H](S(=O)(=O)NC)C2)c1O	ZINC000138343559	671847144	/nfs/dbraw/zinc/84/71/44/671847144.db2.gz	VGCVTZKEDUXCOU-MRXNPFEDSA-N	1	0	354.472	1.643	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CC2([NH3+])CCC2)cc1	ZINC000152221421	671879073	/nfs/dbraw/zinc/87/90/73/671879073.db2.gz	YTHQTNLTSQWJKL-HMMYKYKNSA-N	1	0	364.471	1.709	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H](C)[C@@H]1CN(C)CCO1)C(C)C	ZINC000152559737	671885106	/nfs/dbraw/zinc/88/51/06/671885106.db2.gz	JKSAFQHJXHUOJQ-KSZLIROESA-N	1	0	352.523	1.703	20	30		FDEDRO
C=C(Br)CNC(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1	ZINC000171592630	672056161	/nfs/dbraw/zinc/05/61/61/672056161.db2.gz	PUONYVFHOKBBQO-UHFFFAOYSA-N	1	0	355.236	1.830	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)NCC)ccc2F)CC1	ZINC000171717894	672057941	/nfs/dbraw/zinc/05/79/41/672057941.db2.gz	RWUWPDWHSATRJM-UHFFFAOYSA-N	1	0	369.462	1.504	20	30		FDEDRO
C[NH+](C)CCCOc1cnccc1CNS(=O)(=O)CC1(C#N)CC1	ZINC000288273716	675985348	/nfs/dbraw/zinc/98/53/48/675985348.db2.gz	DNPYYHQMOPWYQB-UHFFFAOYSA-N	1	0	352.460	1.135	20	30		FDEDRO
C[NH+]=C(NCCN1CCOC(C)(C)C1)N(C)Cc1cc(Cl)cn1C	ZINC000179206924	672156132	/nfs/dbraw/zinc/15/61/32/672156132.db2.gz	TYVUQOIIMHXIQL-UHFFFAOYSA-N	1	0	355.914	1.797	20	30		FDEDRO
C[C@]1(O)CCC[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1	ZINC000245864177	672467626	/nfs/dbraw/zinc/46/76/26/672467626.db2.gz	IIKUNELTJVHJRB-QAPCUYQASA-N	1	0	362.499	1.304	20	30		FDEDRO
C#CCSCCNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000247339908	672525444	/nfs/dbraw/zinc/52/54/44/672525444.db2.gz	HMWSEKDXKDRDDH-ROUUACIJSA-N	1	0	361.511	1.535	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N(C)CCC[N@@H+](C)CCN(C)C	ZINC000288657721	676036167	/nfs/dbraw/zinc/03/61/67/676036167.db2.gz	REYQWMFCOMZGRK-UHFFFAOYSA-N	1	0	352.504	1.371	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC[C@@H]1O	ZINC000249582204	672572684	/nfs/dbraw/zinc/57/26/84/672572684.db2.gz	RNPIEVIXLNPZIA-OAGGEKHMSA-N	1	0	362.499	1.160	20	30		FDEDRO
CC[NH+]=C(NCc1cccc(C)c1)NCC1CCN(S(C)(=O)=O)CC1	ZINC000261619114	672637387	/nfs/dbraw/zinc/63/73/87/672637387.db2.gz	HKOQJYVWFOVGCV-UHFFFAOYSA-N	1	0	366.531	1.722	20	30		FDEDRO
C[NH+]=C(NCCc1ccc(F)cc1)NCC1CCN(S(C)(=O)=O)CC1	ZINC000261643784	672641723	/nfs/dbraw/zinc/64/17/23/672641723.db2.gz	LGWJMDGAOOLGRP-UHFFFAOYSA-N	1	0	370.494	1.205	20	30		FDEDRO
C[NH+]=C(NCCN1CCC1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1	ZINC000261726493	672659736	/nfs/dbraw/zinc/65/97/36/672659736.db2.gz	IZOJKQWPZKXZRA-UHFFFAOYSA-N	1	0	363.893	1.265	20	30		FDEDRO
C[NH+]=C(NCc1nnc(C)n1C)NC[C@@H](O)c1cc2ccccc2s1	ZINC000261752262	672664958	/nfs/dbraw/zinc/66/49/58/672664958.db2.gz	LWZACIRLQWISIE-CYBMUJFWSA-N	1	0	358.471	1.737	20	30		FDEDRO
CC[NH+]=C(NCCO)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1	ZINC000261835462	672680291	/nfs/dbraw/zinc/68/02/91/672680291.db2.gz	VYVGQRJLRRNTJJ-CQSZACIVSA-N	1	0	366.893	1.373	20	30		FDEDRO
C[NH+]=C(NCc1ccccc1S(=O)(=O)N(C)C)N(C)Cc1ccon1	ZINC000261845576	672681977	/nfs/dbraw/zinc/68/19/77/672681977.db2.gz	XDQLVPCNRPRXNS-UHFFFAOYSA-N	1	0	365.459	1.132	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(=[NH+]C)N2CCC[C@@H](CC(N)=O)C2)C12CCCC2	ZINC000261847460	672682497	/nfs/dbraw/zinc/68/24/97/672682497.db2.gz	XPDGJNXWNRPPBW-HRCADAONSA-N	1	0	350.507	1.887	20	30		FDEDRO
C[NH+]=C(NCC1(CS(C)(=O)=O)CC1)N1CC[C@H](C)[C@@H](n2ccnc2)C1	ZINC000261948369	672699728	/nfs/dbraw/zinc/69/97/28/672699728.db2.gz	GPSLGGAHNJCWAK-GJZGRUSLSA-N	1	0	367.519	1.166	20	30		FDEDRO
COc1cc(Br)c(CNC(=[NH2+])N2CCOCC2)cc1OC	ZINC000261966754	672703719	/nfs/dbraw/zinc/70/37/19/672703719.db2.gz	BPYCWNSDBLZBIA-UHFFFAOYSA-N	1	0	358.236	1.613	20	30		FDEDRO
CC[NH+]=C(NCC1(CO)CCOCC1)N1CCN(c2cccs2)CC1	ZINC000261971664	672704871	/nfs/dbraw/zinc/70/48/71/672704871.db2.gz	MXSXBNSWXXRNAY-UHFFFAOYSA-N	1	0	366.531	1.625	20	30		FDEDRO
CCc1nn(C)c(CC)c1CNC(=[NH+]C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261999570	672709316	/nfs/dbraw/zinc/70/93/16/672709316.db2.gz	TZSKSJJCQHWLKI-UHFFFAOYSA-N	1	0	369.535	1.129	20	30		FDEDRO
CCO[C@@H]1C[C@@H](NC(=[NH+]C)N2CCS(=O)(=O)C(C)(C)C2)C12CCCC2	ZINC000262000873	672709819	/nfs/dbraw/zinc/70/98/19/672709819.db2.gz	ULEVEARTYLYAFA-HUUCEWRRSA-N	1	0	371.547	1.809	20	30		FDEDRO
C[NH+]=C(NCc1coc(-c2cccs2)n1)N1CCO[C@H](COC)C1	ZINC000262046579	672717569	/nfs/dbraw/zinc/71/75/69/672717569.db2.gz	YZVMGEIIGILPJV-ZDUSSCGKSA-N	1	0	350.444	1.826	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NC[C@@H]2COC3(CCOCC3)O2)cc1OC	ZINC000262054357	672718434	/nfs/dbraw/zinc/71/84/34/672718434.db2.gz	ASCMDOMTCHVOTP-CYBMUJFWSA-N	1	0	351.403	1.353	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)NC(C)C)N[C@H]1CCc2ccccc2C1	ZINC000262216194	672748494	/nfs/dbraw/zinc/74/84/94/672748494.db2.gz	KOIFFMGINAVTAG-INIZCTEOSA-N	1	0	352.504	1.037	20	30		FDEDRO
CN(C)C(=O)CNC(NC1CCOCC1)=[NH+][C@@H]1CC[C@@H]2CCC[C@H]2C1	ZINC000262275195	672760053	/nfs/dbraw/zinc/76/00/53/672760053.db2.gz	HUPZXCBSOZEYJE-YQQAZPJKSA-N	1	0	350.507	1.758	20	30		FDEDRO
C[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CCCN(c2ccccc2Cl)C1	ZINC000262286140	672761805	/nfs/dbraw/zinc/76/18/05/672761805.db2.gz	KEPJTLXHLNFDNE-CYBMUJFWSA-N	1	0	351.882	1.562	20	30		FDEDRO
COc1ccc([C@H](CNC(=[NH2+])N2CCSCC2)N2CCOCC2)cc1	ZINC000262300361	672765001	/nfs/dbraw/zinc/76/50/01/672765001.db2.gz	NUZRLCXGXJJWHV-KRWDZBQOSA-N	1	0	364.515	1.432	20	30		FDEDRO
[NH2+]=C(NCCS(=O)(=O)N1CCSCC1)Nc1cc(F)ccc1F	ZINC000262310692	672767071	/nfs/dbraw/zinc/76/70/71/672767071.db2.gz	SMUKBIBOHDSSCU-UHFFFAOYSA-N	1	0	364.443	1.070	20	30		FDEDRO
Cc1noc(C)c1CNC(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CCCC1	ZINC000262329839	672771133	/nfs/dbraw/zinc/77/11/33/672771133.db2.gz	ASRTUUCBCUJYQG-CQSZACIVSA-N	1	0	368.503	1.704	20	30		FDEDRO
C=CCNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](C2CCOCC2)C1	ZINC000262341933	672773602	/nfs/dbraw/zinc/77/36/02/672773602.db2.gz	CTBPSCACJLZUSN-RDJZCZTQSA-N	1	0	369.531	1.301	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCc2ncsc2C1	ZINC000262372967	672778425	/nfs/dbraw/zinc/77/84/25/672778425.db2.gz	IZHHEJRGYDMOJK-GFCCVEGCSA-N	1	0	356.517	1.290	20	30		FDEDRO
CN(Cc1cnn(C)c1)C(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CCCC1	ZINC000262374486	672778823	/nfs/dbraw/zinc/77/88/23/672778823.db2.gz	JFIMZTFKSNCPAM-AWEZNQCLSA-N	1	0	367.519	1.175	20	30		FDEDRO
CC[C@H](C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCc2ncsc2C1	ZINC000262387250	672781166	/nfs/dbraw/zinc/78/11/66/672781166.db2.gz	LPCFEXJTIKGMEH-STQMWFEESA-N	1	0	370.544	1.680	20	30		FDEDRO
C=C(C)CNC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+][C@@H]1CCOC(C)(C)C1	ZINC000262410600	672785064	/nfs/dbraw/zinc/78/50/64/672785064.db2.gz	PEZKQXPXUPJPCB-LSDHHAIUSA-N	1	0	357.520	1.490	20	30		FDEDRO
CC1(C)CN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)CC[C@@H]1O	ZINC000262451360	672791789	/nfs/dbraw/zinc/79/17/89/672791789.db2.gz	WCJMVHVKOAHQBV-HOCLYGCPSA-N	1	0	371.547	1.402	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)NC[C@](C)(O)c1ccsc1	ZINC000262756640	672842884	/nfs/dbraw/zinc/84/28/84/672842884.db2.gz	DNQSRQOOPBIGBL-GUYCJALGSA-N	1	0	362.503	1.283	20	30		FDEDRO
CC[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N1CCN(C(=O)C(C)C)CC1	ZINC000262779940	672848302	/nfs/dbraw/zinc/84/83/02/672848302.db2.gz	KSQIAYFOXDRNOM-LPHOPBHVSA-N	1	0	352.523	1.693	20	30		FDEDRO
C[NH+]=C(NC[C@]1(N(C)C)CCSC1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C	ZINC000262806853	672851147	/nfs/dbraw/zinc/85/11/47/672851147.db2.gz	SJPQRBPXRMULNV-JTOWHCCKSA-N	1	0	354.564	1.792	20	30		FDEDRO
C=CCNC(NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)=[NH+]C	ZINC000262950370	672855557	/nfs/dbraw/zinc/85/55/57/672855557.db2.gz	BRKUGXLMDCFUMU-OAHLLOKOSA-N	1	0	364.515	1.958	20	30		FDEDRO
[NH2+]=C(NCCNS(=O)(=O)c1cccc(Cl)c1Cl)NC1CCC1	ZINC000263022942	672858683	/nfs/dbraw/zinc/85/86/83/672858683.db2.gz	AFDJHNFGKJFEAA-UHFFFAOYSA-N	1	0	365.286	1.729	20	30		FDEDRO
CC[NH+]=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)N1CCCC1	ZINC000263134706	672863532	/nfs/dbraw/zinc/86/35/32/672863532.db2.gz	UGZHCIVRTVVRCS-UHFFFAOYSA-N	1	0	352.451	1.312	20	30		FDEDRO
NC(=O)C1(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)CCOCC1	ZINC000264094770	672901188	/nfs/dbraw/zinc/90/11/88/672901188.db2.gz	MCTRUDYFCJCGEP-UHFFFAOYSA-N	1	0	360.336	1.594	20	30		FDEDRO
C[C@@H]1CN(c2ccc(CNC(=[NH2+])N3CCOCC3)cc2F)C[C@H](C)O1	ZINC000264123993	672901837	/nfs/dbraw/zinc/90/18/37/672901837.db2.gz	VXGVUNULLRTRHO-OKILXGFUSA-N	1	0	350.438	1.586	20	30		FDEDRO
COCCNC(=[NH2+])NC[C@@H]1CCN(c2ccc(Br)cc2)C1	ZINC000264128268	672901943	/nfs/dbraw/zinc/90/19/43/672901943.db2.gz	WZKQAYJCGRYQNQ-LBPRGKRZSA-N	1	0	355.280	1.826	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1	ZINC000264136429	672902950	/nfs/dbraw/zinc/90/29/50/672902950.db2.gz	ZUHJNAISTSEIBH-MCIONIFRSA-N	1	0	352.454	1.879	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NCC[N@@H+](CC)C2CC2)ccc1F	ZINC000264219996	672904518	/nfs/dbraw/zinc/90/45/18/672904518.db2.gz	UIDIJCXNXDNRCK-UHFFFAOYSA-N	1	0	369.462	1.504	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)CC1	ZINC000264526973	672917111	/nfs/dbraw/zinc/91/71/11/672917111.db2.gz	YSPUDKSTJKDMGX-UHFFFAOYSA-N	1	0	350.484	1.789	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@H](C(N)=O)C(C)(C)C)c(OC)c1	ZINC000264540684	672917292	/nfs/dbraw/zinc/91/72/92/672917292.db2.gz	BTYDZGWFPYJTHU-RHSMWYFYSA-N	1	0	350.459	1.653	20	30		FDEDRO
COC(=O)C[C@@H]1CSCC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1	ZINC000266961867	673224191	/nfs/dbraw/zinc/22/41/91/673224191.db2.gz	WVJNPIFUSFQMIW-HUUCEWRRSA-N	1	0	350.440	1.278	20	30		FDEDRO
C#CC[N@H+](CC)CCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000266965596	673224933	/nfs/dbraw/zinc/22/49/33/673224933.db2.gz	XYXCIFCZIDWBLW-UHFFFAOYSA-N	1	0	363.483	1.755	20	30		FDEDRO
CS(=O)(=O)NCCCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1	ZINC000266978940	673227578	/nfs/dbraw/zinc/22/75/78/673227578.db2.gz	LIBIKTHSNNYDJB-UHFFFAOYSA-N	1	0	352.382	1.049	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=O)NC[C@]2([NH+](C)C)CCSC2)c1	ZINC000267248205	673277282	/nfs/dbraw/zinc/27/72/82/673277282.db2.gz	ZHUCLHWKOFAKMU-GOSISDBHSA-N	1	0	360.483	1.343	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)NC[C@H](C)[N@H+](C)C3CC3)CC2)c1C#N	ZINC000290651193	676220979	/nfs/dbraw/zinc/22/09/79/676220979.db2.gz	FJYZWPPVUJJIHK-LBPRGKRZSA-N	1	0	362.503	1.638	20	30		FDEDRO
COc1cc(C[NH2+]CCS(=O)(=O)NCc2ccccc2)ccc1C#N	ZINC000281623199	675537876	/nfs/dbraw/zinc/53/78/76/675537876.db2.gz	HPQZLNDSTNYAPE-UHFFFAOYSA-N	1	0	359.451	1.776	20	30		FDEDRO
CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000281797713	675560718	/nfs/dbraw/zinc/56/07/18/675560718.db2.gz	CJAWEEBZUOGLBE-UHFFFAOYSA-N	1	0	358.320	1.463	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1	ZINC000281800837	675561231	/nfs/dbraw/zinc/56/12/31/675561231.db2.gz	PZCRXIJUZURIMH-RYRKJORJSA-N	1	0	364.515	1.965	20	30		FDEDRO
C[C@H](CCNS(=O)(=O)N(C)[C@@H](C)CC#N)[N@H+](C)Cc1ccccc1	ZINC000283017754	675647418	/nfs/dbraw/zinc/64/74/18/675647418.db2.gz	PFDVSOGFTSDJAN-CVEARBPZSA-N	1	0	352.504	1.965	20	30		FDEDRO
C[C@H](CNS(=O)(=O)N(C)[C@@H](C)CC#N)[N@@H+]1CCc2ccccc2C1	ZINC000283036153	675647608	/nfs/dbraw/zinc/64/76/08/675647608.db2.gz	QVGHTMUKEBDVJT-LSDHHAIUSA-N	1	0	350.488	1.502	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(C2(C(=O)OC)CC2)cc1	ZINC000293929510	676371265	/nfs/dbraw/zinc/37/12/65/676371265.db2.gz	YREKVLJDHUACMV-UHFFFAOYSA-N	1	0	364.467	1.125	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N(C)Cc1cc(Br)cn1C	ZINC000297041723	676422820	/nfs/dbraw/zinc/42/28/20/676422820.db2.gz	WQNOXFWTJIBIBY-UHFFFAOYSA-N	1	0	355.280	1.884	20	30		FDEDRO
C[C@@H](O)C[N@H+](CCO)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2	ZINC000298461857	676465377	/nfs/dbraw/zinc/46/53/77/676465377.db2.gz	IDHADVAKAGNQIF-CHWSQXEVSA-N	1	0	365.499	1.748	20	30		FDEDRO
CC(C)(CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1)S(C)(=O)=O	ZINC000304722030	676544082	/nfs/dbraw/zinc/54/40/82/676544082.db2.gz	OWZVITCXKDBMQH-UHFFFAOYSA-N	1	0	356.467	1.086	20	30		FDEDRO
CCOCCCNC(=[NH2+])NCc1ccc(S(=O)(=O)NCC(C)C)cc1	ZINC000305708757	676545222	/nfs/dbraw/zinc/54/52/22/676545222.db2.gz	RGOVVLCGYUUJLS-UHFFFAOYSA-N	1	0	370.519	1.452	20	30		FDEDRO
NS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1	ZINC000328622083	676600017	/nfs/dbraw/zinc/60/00/17/676600017.db2.gz	XYDOXJHSMUQTIR-CVEARBPZSA-N	1	0	366.487	1.100	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CCC(=O)NC12CCC2	ZINC000328709548	676603322	/nfs/dbraw/zinc/60/33/22/676603322.db2.gz	ALJSDSLYCJIICL-HUUCEWRRSA-N	1	0	351.495	1.558	20	30		FDEDRO
C[C@H](CO[C@@H]1CCOC1)NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000328752756	676605329	/nfs/dbraw/zinc/60/53/29/676605329.db2.gz	SAAWKUNWKKBFQE-BRWVUGGUSA-N	1	0	355.479	1.139	20	30		FDEDRO
O=C(C[N@@H+]1CCC[C@H]1C1CCCC1)NC(=O)N[C@H]1CCS(=O)(=O)C1	ZINC000328812899	676607980	/nfs/dbraw/zinc/60/79/80/676607980.db2.gz	FQNLEKZNIJOLPX-KBPBESRZSA-N	1	0	357.476	1.699	20	30		FDEDRO
CCCS(=O)(=O)N1CCC(NC(=O)C[N@H+](C)[C@@H]2CCSC2)CC1	ZINC000328845681	676609378	/nfs/dbraw/zinc/60/93/78/676609378.db2.gz	XJDODZXLBQJTEE-CQSZACIVSA-N	1	0	363.549	1.584	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O	ZINC000329001805	676615566	/nfs/dbraw/zinc/61/55/66/676615566.db2.gz	HSSBSZWUVJTCNJ-VBHSOAQHSA-N	1	0	350.463	1.988	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O	ZINC000329001804	676615666	/nfs/dbraw/zinc/61/56/66/676615666.db2.gz	HSSBSZWUVJTCNJ-FHSNZYRGSA-N	1	0	350.463	1.988	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2OCCN(CC(=O)Nc3nnc(C(C)(C)C)s3)[C@H]2C1	ZINC000329043618	676617089	/nfs/dbraw/zinc/61/70/89/676617089.db2.gz	UEUQDFROXLWRQE-RYUDHWBXSA-N	1	0	353.492	1.829	20	30		FDEDRO
COCCOc1ncccc1NC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1	ZINC000329047498	676617390	/nfs/dbraw/zinc/61/73/90/676617390.db2.gz	VNOXMSGESXIVFD-GJZGRUSLSA-N	1	0	350.419	1.057	20	30		FDEDRO
O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)N1CCC[C@@H]1CN1CCOCC1	ZINC000329130095	676621723	/nfs/dbraw/zinc/62/17/23/676621723.db2.gz	WPUZDZHTGXTSJT-JFIYKMOQSA-N	1	0	353.463	1.035	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1	ZINC000329203217	676625110	/nfs/dbraw/zinc/62/51/10/676625110.db2.gz	CPSMHOVTVMRMJN-HZPDHXFCSA-N	1	0	374.551	1.377	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)NCCc3csc(C)n3)C2)CC1	ZINC000329202704	676625171	/nfs/dbraw/zinc/62/51/71/676625171.db2.gz	YFMVLIHVYQLJDN-MRXNPFEDSA-N	1	0	351.520	1.620	20	30		FDEDRO
Cc1csc(=O)n1CCC(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1	ZINC000329206435	676625287	/nfs/dbraw/zinc/62/52/87/676625287.db2.gz	YDOWUVITELZMHQ-CQSZACIVSA-N	1	0	366.487	1.260	20	30		FDEDRO
C[C@@H]1Cc2cc(C(=O)NCC3=CC[N@H+](C)CC3)ccc2N1S(C)(=O)=O	ZINC000329223822	676626567	/nfs/dbraw/zinc/62/65/67/676626567.db2.gz	YQHDTFKIXDUYSQ-CYBMUJFWSA-N	1	0	363.483	1.964	20	30		FDEDRO
C[C@@H]1CCC[C@](CNC(=O)NC[C@@H]2CCCS(=O)(=O)C2)([NH+](C)C)C1	ZINC000329236825	676627377	/nfs/dbraw/zinc/62/73/77/676627377.db2.gz	OOQBRUYUVLFZBR-VYDXJSESSA-N	1	0	359.536	1.825	20	30		FDEDRO
C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1	ZINC000329245138	676628355	/nfs/dbraw/zinc/62/83/55/676628355.db2.gz	QJFHXXOOBVFYBR-HRCADAONSA-N	1	0	353.463	1.224	20	30		FDEDRO
Cc1ccc(C(=O)N2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)s1	ZINC000329277506	676630326	/nfs/dbraw/zinc/63/03/26/676630326.db2.gz	CNOMFVSKYXMTIY-CQSZACIVSA-N	1	0	362.499	1.965	20	30		FDEDRO
O=C(NCCn1cc(Br)cn1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000329278613	676630512	/nfs/dbraw/zinc/63/05/12/676630512.db2.gz	MBSJJGQLEHCRIB-CHWSQXEVSA-N	1	0	356.268	1.776	20	30		FDEDRO
Cc1nc(S(=O)(=O)NCCC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cn1C	ZINC000329343291	676634134	/nfs/dbraw/zinc/63/41/34/676634134.db2.gz	QAWAHPVUUNPPSH-GFCCVEGCSA-N	1	0	369.491	1.004	20	30		FDEDRO
CC(C)[C@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)c1nncn1C	ZINC000329362887	676635345	/nfs/dbraw/zinc/63/53/45/676635345.db2.gz	JBFKYZJVQVVTND-HNNXBMFYSA-N	1	0	350.467	1.223	20	30		FDEDRO
CC(C)[C@@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)c1nncn1C	ZINC000329362888	676635428	/nfs/dbraw/zinc/63/54/28/676635428.db2.gz	JBFKYZJVQVVTND-OAHLLOKOSA-N	1	0	350.467	1.223	20	30		FDEDRO
O=C(CC1CCN(C(=O)NCCN2CCSCC2)CC1)N1CCCC1	ZINC000329404344	676637406	/nfs/dbraw/zinc/63/74/06/676637406.db2.gz	BLRJYLNUNQVOMF-UHFFFAOYSA-N	1	0	368.547	1.674	20	30		FDEDRO
CC1CN(C(=O)Nc2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)C1	ZINC000329427347	676638336	/nfs/dbraw/zinc/63/83/36/676638336.db2.gz	HHYVOLLERBRZRB-UHFFFAOYSA-N	1	0	366.487	1.510	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCOCC2(CCC2)C1	ZINC000329514104	676642042	/nfs/dbraw/zinc/64/20/42/676642042.db2.gz	LUGKCHWVEIEMKD-SJORKVTESA-N	1	0	351.491	1.781	20	30		FDEDRO
CN1CCN(CC(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1=O	ZINC000329527436	676642648	/nfs/dbraw/zinc/64/26/48/676642648.db2.gz	SBBFQIUBWQMCFF-UHFFFAOYSA-N	1	0	350.507	1.906	20	30		FDEDRO
CCC(=O)N1CSC[C@@H]1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000329574464	676644698	/nfs/dbraw/zinc/64/46/98/676644698.db2.gz	JOYKWKLYFLWNBO-UKRRQHHQSA-N	1	0	355.504	1.755	20	30		FDEDRO
C[C@H](CNC(=O)N1CC[C@H](NC(=O)NC2CC2)C1)[NH+]1CCC(C)CC1	ZINC000329603727	676645892	/nfs/dbraw/zinc/64/58/92/676645892.db2.gz	YQCHZGRVEOYNLC-ZBFHGGJFSA-N	1	0	351.495	1.761	20	30		FDEDRO
CN(C)c1noc(CNC(=O)N2CC[NH+](CC3CCCCC3)CC2)n1	ZINC000329619332	676646220	/nfs/dbraw/zinc/64/62/20/676646220.db2.gz	GJQZODBZZSKHTB-UHFFFAOYSA-N	1	0	350.467	1.748	20	30		FDEDRO
Cn1nc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1OC(F)F	ZINC000329693836	676649755	/nfs/dbraw/zinc/64/97/55/676649755.db2.gz	FHBSHSKAHNJFKQ-UHFFFAOYSA-N	1	0	358.389	1.971	20	30		FDEDRO
[O-]C(=[NH+]CCn1cc(Br)cn1)N1CC[NH+](C2CCC2)CC1	ZINC000329706853	676650601	/nfs/dbraw/zinc/65/06/01/676650601.db2.gz	LCJGEZHXNQFDJT-UHFFFAOYSA-N	1	0	356.268	1.730	20	30		FDEDRO
Cc1ccc(NC(=O)CN2CC[NH+](C3CCC3)CC2)cc1S(N)(=O)=O	ZINC000329707753	676650689	/nfs/dbraw/zinc/65/06/89/676650689.db2.gz	LUDSXOCOWMMBAY-UHFFFAOYSA-N	1	0	366.487	1.401	20	30		FDEDRO
C[C@H](C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)[N@H+](C)Cc1ccccc1	ZINC000329761431	676653408	/nfs/dbraw/zinc/65/34/08/676653408.db2.gz	RJUUZOXVMBPLRY-GDBMZVCRSA-N	1	0	353.488	1.887	20	30		FDEDRO
CCC1(CC)CN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCS1(=O)=O	ZINC000329819727	676658985	/nfs/dbraw/zinc/65/89/85/676658985.db2.gz	PGOOIACKXLLBBZ-CABCVRRESA-N	1	0	357.520	1.816	20	30		FDEDRO
CO[C@H]1C[C@H](C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)N(S(C)(=O)=O)C1	ZINC000329847103	676660316	/nfs/dbraw/zinc/66/03/16/676660316.db2.gz	MNFFRPFZGJGFND-AEGPPILISA-N	1	0	359.492	1.009	20	30		FDEDRO
C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000329853344	676660863	/nfs/dbraw/zinc/66/08/63/676660863.db2.gz	SADMOISHQGPSMC-YPMHNXCESA-N	1	0	364.412	1.726	20	30		FDEDRO
C[C@@H](NC(=O)NCc1ccc(S(C)(=O)=O)s1)C1=CC[N@H+](C)CC1	ZINC000329876440	676661860	/nfs/dbraw/zinc/66/18/60/676661860.db2.gz	IADXJQKGFLXJMV-LLVKDONJSA-N	1	0	357.501	1.806	20	30		FDEDRO
CN1C[C@@H](NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2cccs2)CC1=O	ZINC000329894118	676662801	/nfs/dbraw/zinc/66/28/01/676662801.db2.gz	BDSFABJXOARNBL-AVGNSLFASA-N	1	0	354.451	1.395	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(C(F)(F)F)nn1	ZINC000329930246	676664139	/nfs/dbraw/zinc/66/41/39/676664139.db2.gz	ZLHXSUOIORDJBD-LLVKDONJSA-N	1	0	360.384	1.847	20	30		FDEDRO
CN1C[C@H](NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1=O	ZINC000329986175	676667303	/nfs/dbraw/zinc/66/73/03/676667303.db2.gz	RRKOWXKXNRXFQP-OAHLLOKOSA-N	1	0	352.479	1.003	20	30		FDEDRO
C[NH+]1CCC(C)(CNC(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)CC1	ZINC000330086420	676671857	/nfs/dbraw/zinc/67/18/57/676671857.db2.gz	SCBODUWDUIULAI-CYBMUJFWSA-N	1	0	369.491	1.301	20	30		FDEDRO
CCO[C@@H]1C[C@H](O)C12CCN(C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)CC2	ZINC000330100304	676672462	/nfs/dbraw/zinc/67/24/62/676672462.db2.gz	DUICXBWPRFSHAM-HYVNUMGLSA-N	1	0	351.491	1.803	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)N2CCC(C(=O)N3CCCC3)CC2)CCSC1	ZINC000330149871	676675156	/nfs/dbraw/zinc/67/51/56/676675156.db2.gz	MTRDEQNGDKBZOG-SFHVURJKSA-N	1	0	368.547	1.672	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CC[NH+](CC2CC2)CC1	ZINC000330242992	676680428	/nfs/dbraw/zinc/68/04/28/676680428.db2.gz	WOUOAEXFNQHJFQ-QZTJIDSGSA-N	1	0	350.507	1.306	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1	ZINC000330252531	676680996	/nfs/dbraw/zinc/68/09/96/676680996.db2.gz	IKDPXCCYUXNBKG-VHDGCEQUSA-N	1	0	354.451	1.168	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1ncnn1C(C)(C)C	ZINC000330388382	676688165	/nfs/dbraw/zinc/68/81/65/676688165.db2.gz	NIIOGSIVQZZIPT-CYBMUJFWSA-N	1	0	352.483	1.224	20	30		FDEDRO
CS[C@H]1CN(CC(=O)NC(=O)Nc2cccc(C)c2C)C[C@H]1[NH+](C)C	ZINC000330506721	676694470	/nfs/dbraw/zinc/69/44/70/676694470.db2.gz	LWZZEWYHWKDHGN-CVEARBPZSA-N	1	0	364.515	1.943	20	30		FDEDRO
COc1cc(C)c(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1OC	ZINC000330622628	676698624	/nfs/dbraw/zinc/69/86/24/676698624.db2.gz	CYOOVTWSMUZYEB-UHFFFAOYSA-N	1	0	351.447	1.946	20	30		FDEDRO
COCC1(C)CC[NH+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1	ZINC000330659950	676700054	/nfs/dbraw/zinc/70/00/54/676700054.db2.gz	YBZXICCRVOHDGR-KRWDZBQOSA-N	1	0	350.507	1.427	20	30		FDEDRO
COC[C@H](NC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1)c1ccc(F)cc1	ZINC000330845205	676706321	/nfs/dbraw/zinc/70/63/21/676706321.db2.gz	LIQDDXPPRMZHSO-ZQIUZPCESA-N	1	0	353.438	1.814	20	30		FDEDRO
CC(C)[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1	ZINC000330849882	676706409	/nfs/dbraw/zinc/70/64/09/676706409.db2.gz	NBWHVTUSHWYULX-XJKSGUPXSA-N	1	0	368.503	1.581	20	30		FDEDRO
C[C@H](CNC(=O)c1c[nH]c(=O)c(Br)c1)N1CC[NH+](C)CC1	ZINC000330906847	676709028	/nfs/dbraw/zinc/70/90/28/676709028.db2.gz	SLACQEDZAKQPSA-SNVBAGLBSA-N	1	0	357.252	1.490	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC[N@@H+]1C	ZINC000330914505	676710058	/nfs/dbraw/zinc/71/00/58/676710058.db2.gz	SRISVSNUTYRZRH-HIFRSBDPSA-N	1	0	364.471	1.091	20	30		FDEDRO
CC(C)C[NH+]1CCN(C(=O)NCc2ccc(S(C)(=O)=O)s2)CC1	ZINC000330943302	676710553	/nfs/dbraw/zinc/71/05/53/676710553.db2.gz	DLQMCUZRVRWUEN-UHFFFAOYSA-N	1	0	359.517	1.839	20	30		FDEDRO
CSC[C@H]1CCC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1	ZINC000331165389	676719483	/nfs/dbraw/zinc/71/94/83/676719483.db2.gz	GRAUAMSALNFJCI-IRXDYDNUSA-N	1	0	352.548	1.754	20	30		FDEDRO
CNS(=O)(=O)c1cc(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c(C)o1	ZINC000331206833	676721805	/nfs/dbraw/zinc/72/18/05/676721805.db2.gz	DUZHGDMYCVOQGJ-CYBMUJFWSA-N	1	0	373.475	1.158	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1	ZINC000332235138	676737556	/nfs/dbraw/zinc/73/75/56/676737556.db2.gz	QREUXQWXRCJJBQ-IAGOWNOFSA-N	1	0	364.515	1.919	20	30		FDEDRO
N#Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@H]1C[N@H+]1CCC[C@H]1CO	ZINC000360700926	676872849	/nfs/dbraw/zinc/87/28/49/676872849.db2.gz	VHEUVNKPDDDMDV-HOTGVXAUSA-N	1	0	367.446	1.307	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)c2ccccc2C#N)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000362398725	676917449	/nfs/dbraw/zinc/91/74/49/676917449.db2.gz	YJNKZYFOHULJQZ-RDJZCZTQSA-N	1	0	362.499	1.205	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1C(F)(F)F	ZINC000366366446	677437582	/nfs/dbraw/zinc/43/75/82/677437582.db2.gz	YUEDWVOKNJZQMU-IINYFYTJSA-N	1	0	359.373	1.950	20	30		FDEDRO
C[C@H]1CN(CC(=O)Nc2sccc2C#N)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000367029484	677480333	/nfs/dbraw/zinc/48/03/33/677480333.db2.gz	MFZCWKMQXIKOMW-HOCLYGCPSA-N	1	0	361.515	1.516	20	30		FDEDRO
Cc1csc(NC(=O)[C@H]2CCC[N@@H+](CCC(=O)N(C)CCC#N)C2)n1	ZINC000367502219	677493024	/nfs/dbraw/zinc/49/30/24/677493024.db2.gz	GSSRSMJOTHUUAY-AWEZNQCLSA-N	1	0	363.487	1.864	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1	ZINC000367800356	677495799	/nfs/dbraw/zinc/49/57/99/677495799.db2.gz	IYOWVQJLIKIGKW-OAHLLOKOSA-N	1	0	369.531	1.493	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1	ZINC000370293825	677561903	/nfs/dbraw/zinc/56/19/03/677561903.db2.gz	JFRNOTKITLUFIG-NFAWXSAZSA-N	1	0	356.517	1.667	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccccc2C#N)[C@@H]1c1cccnc1	ZINC000372431663	677915200	/nfs/dbraw/zinc/91/52/00/677915200.db2.gz	OESPSYBWVZRWIN-WMZOPIPTSA-N	1	0	356.451	1.925	20	30		FDEDRO
C=CCN(C(=O)CN(C)S(C)(=O)=O)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000372601997	677945487	/nfs/dbraw/zinc/94/54/87/677945487.db2.gz	SZIHAUVRIRLYAM-KRWDZBQOSA-N	1	0	365.499	1.167	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1	ZINC000373998236	678070289	/nfs/dbraw/zinc/07/02/89/678070289.db2.gz	LEBOMVHDNSWZAG-IRXDYDNUSA-N	1	0	350.507	1.831	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1	ZINC000376350262	678283179	/nfs/dbraw/zinc/28/31/79/678283179.db2.gz	LCNUCMLNMJQNNH-SJORKVTESA-N	1	0	371.547	1.883	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1	ZINC000423028969	680772921	/nfs/dbraw/zinc/77/29/21/680772921.db2.gz	UHXHYKXWNRIRQZ-TXEJJXNPSA-N	1	0	353.875	1.594	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@@H]2[C@H](c3ccccc3)[N@@H+](C)C[C@H]2C1	ZINC000376985306	678419452	/nfs/dbraw/zinc/41/94/52/678419452.db2.gz	LXCNYKJDDOVSBM-UBDQQSCGSA-N	1	0	362.499	1.557	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1	ZINC000409567042	678861506	/nfs/dbraw/zinc/86/15/06/678861506.db2.gz	HXESFHMNAWLDRE-IRXDYDNUSA-N	1	0	374.551	1.441	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1	ZINC000410145040	678884935	/nfs/dbraw/zinc/88/49/35/678884935.db2.gz	JJJZGPJNIMGHCY-UHFFFAOYSA-N	1	0	372.535	1.480	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC(OCC[NH+]2CCCC2)CC1	ZINC000410155046	678887466	/nfs/dbraw/zinc/88/74/66/678887466.db2.gz	QQOOIYYUUNNEEL-MRXNPFEDSA-N	1	0	372.535	1.290	20	30		FDEDRO
CC[NH+](CC)CC1CCN(S(=O)(=O)N(CCC#N)CCOC)CC1	ZINC000410160992	678888649	/nfs/dbraw/zinc/88/86/49/678888649.db2.gz	HGADLQFKNZJECB-UHFFFAOYSA-N	1	0	360.524	1.147	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N[C@@H](C(N)=O)c1cccc(Br)c1	ZINC000424109078	680830264	/nfs/dbraw/zinc/83/02/64/680830264.db2.gz	AMBGNJYHNCRNRM-NWDGAFQWSA-N	1	0	353.220	1.113	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1CCN(CCCOCC(F)(F)F)CC1	ZINC000424105055	680830122	/nfs/dbraw/zinc/83/01/22/680830122.db2.gz	ISRQFKBXCMCYIO-ZDUSSCGKSA-N	1	0	350.385	1.121	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1CCN(Cc2nc3ccccc3s2)CC1	ZINC000424144394	680830913	/nfs/dbraw/zinc/83/09/13/680830913.db2.gz	XLTRGFFCJQWMDE-AWEZNQCLSA-N	1	0	357.483	1.962	20	30		FDEDRO
C=CCCn1cc(C(=O)N(Cc2scnc2C)C[C@H]2CC[NH2+]C2)nn1	ZINC000424164332	680831069	/nfs/dbraw/zinc/83/10/69/680831069.db2.gz	WRDFGBNPDOORLD-AWEZNQCLSA-N	1	0	360.487	1.871	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O	ZINC000424189510	680831540	/nfs/dbraw/zinc/83/15/40/680831540.db2.gz	KZOWSTNGVVDHRU-CYBMUJFWSA-N	1	0	366.443	1.136	20	30		FDEDRO
N#Cc1ccc(CSc2nnc(NC(=O)N[C@H](C[NH3+])C3CC3)s2)cc1	ZINC000414918083	679374160	/nfs/dbraw/zinc/37/41/60/679374160.db2.gz	XNJHQISLPQRCQA-CYBMUJFWSA-N	1	0	374.495	2.561	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC[NH2+]CC2)ccc1Br	ZINC000415309030	679406110	/nfs/dbraw/zinc/40/61/10/679406110.db2.gz	LQBMNBLWKDYEEW-UHFFFAOYSA-N	1	0	351.204	1.081	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)C(=O)NCC[NH2+]CC	ZINC000415373716	679417652	/nfs/dbraw/zinc/41/76/52/679417652.db2.gz	XBHFDSXGRKXOII-UHFFFAOYSA-N	1	0	370.247	1.678	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C	ZINC000415622709	679467102	/nfs/dbraw/zinc/46/71/02/679467102.db2.gz	LMTDKGDLCRWEQZ-NFAWXSAZSA-N	1	0	360.483	1.991	20	30		FDEDRO
CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000415656584	679472728	/nfs/dbraw/zinc/47/27/28/679472728.db2.gz	JBVQOJAWJZBDJM-SECBINFHSA-N	1	0	353.220	1.373	20	30		FDEDRO
CN(C(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)C1CC([NH3+])C1	ZINC000415810110	679510665	/nfs/dbraw/zinc/51/06/65/679510665.db2.gz	NTRGUALCPJBWPW-UHFFFAOYSA-N	1	0	355.423	1.568	20	30		FDEDRO
C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)(F)F)c1	ZINC000415827734	679516844	/nfs/dbraw/zinc/51/68/44/679516844.db2.gz	CAFAMVAJIUHSGZ-CYBMUJFWSA-N	1	0	359.348	1.976	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)NCc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1	ZINC000416378135	679594422	/nfs/dbraw/zinc/59/44/22/679594422.db2.gz	XAPMXMNBSBGKTO-QLFBSQMISA-N	1	0	351.472	1.627	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1	ZINC000418921545	680153840	/nfs/dbraw/zinc/15/38/40/680153840.db2.gz	MBEGSYKGDRDISP-CQSZACIVSA-N	1	0	360.483	1.023	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C)c1ccc(F)c(F)c1	ZINC000419671690	680314142	/nfs/dbraw/zinc/31/41/42/680314142.db2.gz	FPNYQMOKUGSRHB-MKBNYLNASA-N	1	0	351.397	1.907	20	30		FDEDRO
CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1cccc(Br)c1C#N	ZINC000420464531	680465572	/nfs/dbraw/zinc/46/55/72/680465572.db2.gz	PGZZZFIWKYXGPA-CYBMUJFWSA-N	1	0	372.288	1.987	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1	ZINC000422020015	680685503	/nfs/dbraw/zinc/68/55/03/680685503.db2.gz	KYLHWNIOPUEWDL-HNNXBMFYSA-N	1	0	351.472	1.317	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1	ZINC000425874246	680938212	/nfs/dbraw/zinc/93/82/12/680938212.db2.gz	RAPISMKGOFPMPR-PASDCYSWSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000425879909	680938608	/nfs/dbraw/zinc/93/86/08/680938608.db2.gz	JCTRBEORCDJHJB-ALYAQQCSSA-N	1	0	351.491	1.176	20	30		FDEDRO
CCOC1(C)CC[NH+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1	ZINC000428729695	681012317	/nfs/dbraw/zinc/01/23/17/681012317.db2.gz	NZEHJFGXWXXCKO-KRWDZBQOSA-N	1	0	350.507	1.570	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O	ZINC000429721865	681046080	/nfs/dbraw/zinc/04/60/80/681046080.db2.gz	HWJWQRCRSUMNRR-CABCVRRESA-N	1	0	367.471	1.396	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1	ZINC000430397452	681075119	/nfs/dbraw/zinc/07/51/19/681075119.db2.gz	VYPMHIMXXHQJMB-IAGOWNOFSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1	ZINC000430406681	681075511	/nfs/dbraw/zinc/07/55/11/681075511.db2.gz	MLFZJXSROZIPSJ-OIISXLGYSA-N	1	0	351.491	1.273	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(Cl)c(C#N)c2)CCCO1	ZINC000432341145	681153852	/nfs/dbraw/zinc/15/38/52/681153852.db2.gz	UDLFAHJCCDZBDZ-ZDUSSCGKSA-N	1	0	371.890	1.991	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC([C@@H](O)C(=O)NC2CC2)CC1	ZINC000434716651	681515889	/nfs/dbraw/zinc/51/58/89/681515889.db2.gz	GUGYZQVGDLSZDO-RHSMWYFYSA-N	1	0	351.491	1.151	20	30		FDEDRO
COC(=O)CC1([NH2+]CC#Cc2ccc(F)cc2)CCS(=O)(=O)CC1	ZINC000439269360	681919559	/nfs/dbraw/zinc/91/95/59/681919559.db2.gz	GACKFRHEMRGJGX-UHFFFAOYSA-N	1	0	353.415	1.277	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1	ZINC000440812147	682026943	/nfs/dbraw/zinc/02/69/43/682026943.db2.gz	SSICGUQSQLPMHP-SWLSCSKDSA-N	1	0	358.414	1.090	20	30		FDEDRO
C[N@@H+]1CCN(CCNS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1(C)C	ZINC000443082664	682230487	/nfs/dbraw/zinc/23/04/87/682230487.db2.gz	BKPXRSUYKDNOHS-UHFFFAOYSA-N	1	0	370.906	1.516	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](CC(F)(F)F)C2)CC1	ZINC000444709530	682421633	/nfs/dbraw/zinc/42/16/33/682421633.db2.gz	SIIDGELNBUGHHC-CABCVRRESA-N	1	0	360.424	1.953	20	30		FDEDRO
C[C@@H]1[C@H](O)CCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000451459263	682883689	/nfs/dbraw/zinc/88/36/89/682883689.db2.gz	PUUDGOKSHUNIEJ-OWCLPIDISA-N	1	0	362.499	1.302	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1	ZINC000451606210	682905494	/nfs/dbraw/zinc/90/54/94/682905494.db2.gz	MNNQCBGVUSWQOX-WQVCFCJDSA-N	1	0	367.471	1.197	20	30		FDEDRO
C=CCCCS(=O)(=O)N1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1	ZINC000451832981	682948465	/nfs/dbraw/zinc/94/84/65/682948465.db2.gz	LWONWSPLBAVRBE-GOSISDBHSA-N	1	0	371.547	1.549	20	30		FDEDRO
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@@H]1CCC[N@@H+]1CCCO	ZINC000452356783	683057859	/nfs/dbraw/zinc/05/78/59/683057859.db2.gz	DKUVLVVNZQRGBH-KSSFIOAISA-N	1	0	353.463	1.211	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000453588010	683166855	/nfs/dbraw/zinc/16/68/55/683166855.db2.gz	UPVMEJVTTALBDD-GFCCVEGCSA-N	1	0	363.849	1.926	20	30		FDEDRO
CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cnc(C#N)c(Cl)c2)C1	ZINC000453666454	683180771	/nfs/dbraw/zinc/18/07/71/683180771.db2.gz	WKVHDEYENSFDLG-GFCCVEGCSA-N	1	0	363.849	1.735	20	30		FDEDRO
CC1(C)CCC[N@H+](CCNC(=O)C(=O)Nc2cnc(C#N)c(Cl)c2)C1	ZINC000453738517	683201688	/nfs/dbraw/zinc/20/16/88/683201688.db2.gz	CIKROLMUFPMIKN-UHFFFAOYSA-N	1	0	363.849	1.783	20	30		FDEDRO
C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000453740272	683201928	/nfs/dbraw/zinc/20/19/28/683201928.db2.gz	OJBANMYMROSZAK-AWEZNQCLSA-N	1	0	363.849	1.782	20	30		FDEDRO
N#Cc1ccc(Cl)c(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2CCCO)c1	ZINC000453809226	683218771	/nfs/dbraw/zinc/21/87/71/683218771.db2.gz	UGYUCZHXCZININ-ZDUSSCGKSA-N	1	0	364.833	1.113	20	30		FDEDRO
C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCC[N@@H+]1CCCOCC1	ZINC000458854586	684333641	/nfs/dbraw/zinc/33/36/41/684333641.db2.gz	YAQTVXAFHKDKRX-UHFFFAOYSA-N	1	0	351.447	1.582	20	30		FDEDRO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@@H](O)[C@H](CO)C3)sc2C1	ZINC000459711694	684448688	/nfs/dbraw/zinc/44/86/88/684448688.db2.gz	SVDDGQSMCIBFIH-TYNCELHUSA-N	1	0	363.483	1.358	20	30		FDEDRO
N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2C[C@@H]3C[C@H]2CS3)CC1	ZINC000459785345	684457182	/nfs/dbraw/zinc/45/71/82/684457182.db2.gz	BIMUESWCRRSTGH-KKUMJFAQSA-N	1	0	362.524	1.647	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)NCC1(O)CC[NH+](C(C)C)CC1	ZINC000464185625	684726346	/nfs/dbraw/zinc/72/63/46/684726346.db2.gz	JDHDIVCGZUPMOB-UHFFFAOYSA-N	1	0	367.471	1.080	20	30		FDEDRO
C[C@@H](CO)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1	ZINC000470938605	685094426	/nfs/dbraw/zinc/09/44/26/685094426.db2.gz	XQFHVJZZKPBQAV-LBPRGKRZSA-N	1	0	364.833	1.065	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(CC(=O)NC2(C#N)CCCCC2)C1	ZINC000472288937	685193269	/nfs/dbraw/zinc/19/32/69/685193269.db2.gz	WTFQXHZPBOEREK-QGZVFWFLSA-N	1	0	350.507	1.762	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)CC1(C#N)CCCCC1	ZINC000476417445	685722563	/nfs/dbraw/zinc/72/25/63/685722563.db2.gz	JJQZXPBQEKNYGL-BRWVUGGUSA-N	1	0	369.531	1.974	20	30		FDEDRO
C[C@H](NS(=O)(=O)N(C)CCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000486682991	686924920	/nfs/dbraw/zinc/92/49/20/686924920.db2.gz	KFRATRJMNRSYCL-DOTOQJQBSA-N	1	0	350.488	1.577	20	30		FDEDRO
C[C@@H]1OCC[C@]1(C)[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000494270605	687516370	/nfs/dbraw/zinc/51/63/70/687516370.db2.gz	IUROTWAMVMEXSP-MPGHIAIKSA-N	1	0	362.499	1.614	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C)[N@H+](CC)C[C@@H]2C)cc1	ZINC000498568539	687814929	/nfs/dbraw/zinc/81/49/29/687814929.db2.gz	VDXBCXPGOWRUHY-GJZGRUSLSA-N	1	0	365.499	1.706	20	30		FDEDRO
C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([NH2+]C(C)C)CC1	ZINC000508847976	688757429	/nfs/dbraw/zinc/75/74/29/688757429.db2.gz	XODXVOCOHQPRGB-CYBMUJFWSA-N	1	0	370.523	1.041	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)NC1CC[NH+](CC(=O)N(CC)CC)CC1	ZINC000514797248	689768615	/nfs/dbraw/zinc/76/86/15/689768615.db2.gz	UZOQHMAEHREMPC-LJQANCHMSA-N	1	0	353.507	1.664	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N(CC[C@H]2CC[NH2+]C2)C[C@@H]2CCCO2)cc1	ZINC000516862229	689998837	/nfs/dbraw/zinc/99/88/37/689998837.db2.gz	QCLPWCFNHAIMBA-SJORKVTESA-N	1	0	363.483	1.728	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)CC1	ZINC000517305039	690054360	/nfs/dbraw/zinc/05/43/60/690054360.db2.gz	YTGRGWCMVBBSHO-UHFFFAOYSA-N	1	0	354.476	1.035	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1	ZINC000517776962	690095691	/nfs/dbraw/zinc/09/56/91/690095691.db2.gz	VBIHAYAIUWBLEM-DLBZAZTESA-N	1	0	351.491	1.295	20	30		FDEDRO
CS(=O)(=O)CCCCC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1	ZINC000519701121	690251124	/nfs/dbraw/zinc/25/11/24/690251124.db2.gz	QRJCRYUUKQHPDJ-UHFFFAOYSA-N	1	0	358.485	1.136	20	30		FDEDRO
CC(C)C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CCO1	ZINC000521865093	694442567	/nfs/dbraw/zinc/44/25/67/694442567.db2.gz	PGLMMQGBCQQUAX-CVEARBPZSA-N	1	0	351.472	1.910	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)s1	ZINC000528057586	694698578	/nfs/dbraw/zinc/69/85/78/694698578.db2.gz	HITFCTBFNSPFEC-ZDUSSCGKSA-N	1	0	355.485	1.399	20	30		FDEDRO
N#Cc1ccc(Cl)nc1C(F)(F)N1CCCO[C@@]2(C[NH2+]CCOC2)C1	ZINC001164425325	718914318	/nfs/dbraw/zinc/91/43/18/718914318.db2.gz	RSWBHHILQPGOQS-HNNXBMFYSA-N	1	0	372.803	1.737	20	30		FDEDRO
CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cnc(Cl)cc1C#N	ZINC001164614081	719016008	/nfs/dbraw/zinc/01/60/08/719016008.db2.gz	BXFXIILOYDZMSN-KGYLQXTDSA-N	1	0	370.787	1.881	20	30		FDEDRO
Cc1nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cnc1C#N	ZINC001164832885	720332417	/nfs/dbraw/zinc/33/24/17/720332417.db2.gz	UQPBPLHTMPQAQY-ROUUACIJSA-N	1	0	368.485	1.568	20	30		FDEDRO
CC(C)[N@H+]1[C@@H]2CCN(c3nccnc3C#N)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164834013	720509227	/nfs/dbraw/zinc/50/92/27/720509227.db2.gz	FDJPJDTUEHPUIV-SOLBZPMBSA-N	1	0	351.458	1.923	20	30		FDEDRO
N#Cc1nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)ccc1Cl	ZINC001164743007	720628583	/nfs/dbraw/zinc/62/85/83/720628583.db2.gz	NXXKFRHVKLXAEM-QWHCGFSZSA-N	1	0	356.817	1.739	20	30		FDEDRO
N#Cc1ccc2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1	ZINC001164739636	720645171	/nfs/dbraw/zinc/64/51/71/720645171.db2.gz	GHDICYVYHYOSSF-HOTGVXAUSA-N	1	0	373.420	1.633	20	30		FDEDRO
COc1cc(C#N)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1	ZINC001164739633	720705559	/nfs/dbraw/zinc/70/55/59/720705559.db2.gz	OIUOQOICKZSKHY-ZBFHGGJFSA-N	1	0	352.398	1.094	20	30		FDEDRO
N#Cc1nccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC001164747491	720811293	/nfs/dbraw/zinc/81/12/93/720811293.db2.gz	OEVXPACAVBCJPU-SOLBZPMBSA-N	1	0	364.457	1.319	20	30		FDEDRO
N#Cc1cncc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1	ZINC001164746221	720816997	/nfs/dbraw/zinc/81/69/97/720816997.db2.gz	YOKDHKSXGJTFNU-KBAYOESNSA-N	1	0	364.457	1.319	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3ncc(C#N)cc3Cl)CC[C@H]2C1	ZINC001164851804	720836924	/nfs/dbraw/zinc/83/69/24/720836924.db2.gz	HYCIYRLMVTYCIM-HOCLYGCPSA-N	1	0	350.850	1.780	20	30		FDEDRO
N#Cc1cnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(C#N)c1	ZINC001164867059	721068931	/nfs/dbraw/zinc/06/89/31/721068931.db2.gz	HEJKIOMJUUTSBP-MOPGFXCFSA-N	1	0	360.421	1.700	20	30		FDEDRO
COc1ccnc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1C#N	ZINC001164763449	721110112	/nfs/dbraw/zinc/11/01/12/721110112.db2.gz	FZEKMYGYRVMWBB-JKSUJKDBSA-N	1	0	352.442	1.654	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)CCCF)C3)C1=O	ZINC001112511305	782259042	/nfs/dbraw/zinc/25/90/42/782259042.db2.gz	FAIYXTPDXREXSC-BXWFABGCSA-N	1	0	351.466	1.741	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1	ZINC000684789654	782295683	/nfs/dbraw/zinc/29/56/83/782295683.db2.gz	VOSONPKFKDPAKM-BBRMVZONSA-N	1	0	355.398	1.303	20	30		FDEDRO
CC(=O)NCC1CCN([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1	ZINC000264008571	782512594	/nfs/dbraw/zinc/51/25/94/782512594.db2.gz	RAAWLTUCMLKYCW-KRWDZBQOSA-N	1	0	354.410	1.038	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)COCC2CC2)C[C@H]1c1ccccc1	ZINC001211542007	782531054	/nfs/dbraw/zinc/53/10/54/782531054.db2.gz	TZCJDBIVQLFOPT-VQTJNVASSA-N	1	0	356.466	1.647	20	30		FDEDRO
N#CCCN1CCN(C(=O)N[C@H]2C[NH2+]CC[C@H]2c2cccc(F)c2)CC1	ZINC000892255765	782537118	/nfs/dbraw/zinc/53/71/18/782537118.db2.gz	SLIWUWUVONGEAO-ROUUACIJSA-N	1	0	359.449	1.512	20	30		FDEDRO
C[NH+]=C(NCc1ccc(-n2ccnc2C)nc1)N1CC[C@]2(CCOC2)C1	ZINC000158136829	782617670	/nfs/dbraw/zinc/61/76/70/782617670.db2.gz	MJRUJCYCROOAHS-IBGZPJMESA-N	1	0	354.458	1.764	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1	ZINC000277575577	782713989	/nfs/dbraw/zinc/71/39/89/782713989.db2.gz	UBZUJPIPZUPXIE-INIZCTEOSA-N	1	0	355.438	1.770	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(-n2cnnn2)cn1)C(C)C	ZINC000654781366	769078567	/nfs/dbraw/zinc/07/85/67/769078567.db2.gz	ACIKBBKFZKPFSZ-KRWDZBQOSA-N	1	0	355.446	1.486	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+](C)C	ZINC000969207947	769398936	/nfs/dbraw/zinc/39/89/36/769398936.db2.gz	BCMOERUINSFBLS-MDMSPXHWSA-N	1	0	361.486	1.120	20	30		FDEDRO
C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1	ZINC000784924600	769547129	/nfs/dbraw/zinc/54/71/29/769547129.db2.gz	OOHDSTLUTSPIEX-UHFFFAOYSA-N	1	0	351.450	1.749	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](C)C	ZINC000969304601	769799770	/nfs/dbraw/zinc/79/97/70/769799770.db2.gz	NTFAYTFKPPPNOG-RZFLPCETSA-N	1	0	363.502	1.510	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2sccc2Cl)C[C@H]1C	ZINC001104223855	769929273	/nfs/dbraw/zinc/92/92/73/769929273.db2.gz	DUEJYMJEUOWSRW-CHWSQXEVSA-N	1	0	367.902	1.839	20	30		FDEDRO
Cc1cncc(C)c1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104412934	782797695	/nfs/dbraw/zinc/79/76/95/782797695.db2.gz	VKTZJDHXJKYLNV-HZPDHXFCSA-N	1	0	357.458	1.026	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC000969397227	770081456	/nfs/dbraw/zinc/08/14/56/770081456.db2.gz	JHKJIRQXEVSMEF-UQZPWQSVSA-N	1	0	367.449	1.681	20	30		FDEDRO
C=CC[C@@H]1CC[N@@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000934470572	782841925	/nfs/dbraw/zinc/84/19/25/782841925.db2.gz	GKQYJFCOCOSUMR-MRXNPFEDSA-N	1	0	366.483	1.737	20	30		FDEDRO
COc1ccc(CN2CC([C@@H](C)NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C#N	ZINC000969703316	770699908	/nfs/dbraw/zinc/69/99/08/770699908.db2.gz	GNASNSZHPSUAOW-SPYBWZPUSA-N	1	0	370.497	1.844	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)nnn3C)C1	ZINC001020604928	770982978	/nfs/dbraw/zinc/98/29/78/770982978.db2.gz	UUGFHUNRFRMKTI-ADAWSYLGSA-N	1	0	355.442	1.296	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cccnc2)C1=O	ZINC001087111037	771094019	/nfs/dbraw/zinc/09/40/19/771094019.db2.gz	OAYJQHJOAJKXPH-BPQIPLTHSA-N	1	0	356.470	1.699	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NCc2nc(-c3ccco3)no2)C1	ZINC000970017286	771205353	/nfs/dbraw/zinc/20/53/53/771205353.db2.gz	ROBMQAOIPXOYTB-MCIONIFRSA-N	1	0	358.398	1.611	20	30		FDEDRO
C[NH+]=C(N[C@@H]1C[C@@](C)(OC)C1(C)C)N[C@@H]1CCCN(c2ncccn2)C1	ZINC000176673632	782907965	/nfs/dbraw/zinc/90/79/65/782907965.db2.gz	ZTTBDZHSBRKYNH-SPYBWZPUSA-N	1	0	360.506	1.814	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1	ZINC001104231528	771430913	/nfs/dbraw/zinc/43/09/13/771430913.db2.gz	FILPOSUVXWUDFU-UKRRQHHQSA-N	1	0	350.463	1.024	20	30		FDEDRO
C=CCC1(NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CCCCC1	ZINC000655557230	771433219	/nfs/dbraw/zinc/43/32/19/771433219.db2.gz	RAUHITNZPGLXJL-SFHVURJKSA-N	1	0	364.534	1.971	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)c4ccco4)[C@@H]3C2)CC1	ZINC001020956853	771670062	/nfs/dbraw/zinc/67/00/62/771670062.db2.gz	HQWOGDRBQUUSST-DLBZAZTESA-N	1	0	355.438	1.298	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cnc(C)cn2)C1=O	ZINC001087114066	771670920	/nfs/dbraw/zinc/67/09/20/771670920.db2.gz	WUNPEGRPFPASEB-HYVNUMGLSA-N	1	0	371.485	1.402	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)c4ccccc4)[C@@H]3C2)CC1	ZINC001020970374	771714668	/nfs/dbraw/zinc/71/46/68/771714668.db2.gz	UJDWMFZNXDNWRF-VQTJNVASSA-N	1	0	365.477	1.705	20	30		FDEDRO
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(c3nc(Cl)cc(C)c3C#N)C[C@H]1C2	ZINC001167229056	771773859	/nfs/dbraw/zinc/77/38/59/771773859.db2.gz	OQUFDQIYUHRAIU-KEIZMWOVSA-N	1	0	360.845	1.750	20	30		FDEDRO
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(c3nccc4ccc(C#N)cc43)C[C@H]1C2	ZINC001167230882	771777221	/nfs/dbraw/zinc/77/72/21/771777221.db2.gz	NNKZBVBHRKTOPX-HVSHLEFESA-N	1	0	362.433	1.941	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(C[NH+](CC)CC)CC1	ZINC000430398558	771782871	/nfs/dbraw/zinc/78/28/71/771782871.db2.gz	YJIFAPYALXZKOC-QZTJIDSGSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1	ZINC000430408118	771830078	/nfs/dbraw/zinc/83/00/78/771830078.db2.gz	YIZZLZDCWVGRNY-BZSNNMDCSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](OCCOC)C2)c(OC)c1	ZINC000275472163	771833526	/nfs/dbraw/zinc/83/35/26/771833526.db2.gz	CUOJNOQRLBFTHJ-QZTJIDSGSA-N	1	0	365.470	1.901	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]Cc2ncnn2CCF)CC1	ZINC001167274253	771850571	/nfs/dbraw/zinc/85/05/71/771850571.db2.gz	OQNZMQQQDPOPRB-CABCVRRESA-N	1	0	365.453	1.215	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]C[C@H]2CCNC(=O)CC2)CC1	ZINC001167277220	771855553	/nfs/dbraw/zinc/85/55/53/771855553.db2.gz	DYJCUXZSWODYKZ-ZACQAIPSSA-N	1	0	363.502	1.370	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]CCCO[C@@H]2CCOC2)CC1	ZINC001167277918	771857444	/nfs/dbraw/zinc/85/74/44/771857444.db2.gz	YKRFUSIUFXAOBD-KURKYZTESA-N	1	0	366.502	1.649	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(C(N)=O)c2)C1	ZINC000970220583	772129567	/nfs/dbraw/zinc/12/95/67/772129567.db2.gz	FPWQYEKJFYJOJG-QYZOEREBSA-N	1	0	371.481	1.847	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC000970230604	772160230	/nfs/dbraw/zinc/16/02/30/772160230.db2.gz	DFGZNVYAYZOMJM-HLLBOEOZSA-N	1	0	362.861	1.544	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1C[C@@H](C)N(CC)C[C@@H]1C	ZINC000784965345	772198731	/nfs/dbraw/zinc/19/87/31/772198731.db2.gz	LBLCLRVUFHZLSK-KGLIPLIRSA-N	1	0	361.417	1.717	20	30		FDEDRO
N#Cc1ccccc1N1CCC(NC(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1	ZINC000892266434	782986324	/nfs/dbraw/zinc/98/63/24/782986324.db2.gz	CMDGBZHBENPAGI-GOSISDBHSA-N	1	0	353.470	1.968	20	30		FDEDRO
CC1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1	ZINC000471399909	772295768	/nfs/dbraw/zinc/29/57/68/772295768.db2.gz	YZHCOKCIDRDWMZ-UHFFFAOYSA-N	1	0	356.470	1.707	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C[C@@H]2O)CC1	ZINC000970335275	772386490	/nfs/dbraw/zinc/38/64/90/772386490.db2.gz	JIFFPQUKPKLDDW-SQNIBIBYSA-N	1	0	363.502	1.295	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnn(C)n2)C1)OCC	ZINC001104255409	772434344	/nfs/dbraw/zinc/43/43/44/772434344.db2.gz	PNCIBVVQOWRDGS-JFIYKMOQSA-N	1	0	363.506	1.761	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(Cn3ccnn3)o1)C2	ZINC001112484322	772624636	/nfs/dbraw/zinc/62/46/36/772624636.db2.gz	JEXYWUGWHVIBFF-KXBFYZLASA-N	1	0	355.442	1.937	20	30		FDEDRO
Cc1cnc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)c(C)c1	ZINC001112484371	772627510	/nfs/dbraw/zinc/62/75/10/772627510.db2.gz	MHLBTBNXQYZGBM-JXFKEZNVSA-N	1	0	369.469	1.170	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1	ZINC000972253796	783029359	/nfs/dbraw/zinc/02/93/59/783029359.db2.gz	BIEIZFNVQVYFFZ-GVDBMIGSSA-N	1	0	363.502	1.226	20	30		FDEDRO
C[C@@H]1CCN(C(=O)Cn2cnnn2)[C@H](C[NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC001087118209	772725052	/nfs/dbraw/zinc/72/50/52/772725052.db2.gz	ZEQNNLDOMXMARQ-CJNGLKHVSA-N	1	0	371.420	1.101	20	30		FDEDRO
C[C@@H]1CCN(C(=O)CN2CCCC2=O)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087118214	772726883	/nfs/dbraw/zinc/72/68/83/772726883.db2.gz	ZHWDDKGBEKTDKX-APWZRJJASA-N	1	0	368.481	1.897	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H]3CCC(=O)NC3=O)C2)CCC1	ZINC001104279856	772756811	/nfs/dbraw/zinc/75/68/11/772756811.db2.gz	SILZTKXJJDPHGC-BZUAXINKSA-N	1	0	359.470	1.059	20	30		FDEDRO
COC(=O)[C@@H]1CN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC[N@H+](C)C1	ZINC000413503403	783048503	/nfs/dbraw/zinc/04/85/03/783048503.db2.gz	RYWNWYLZVNIUJT-ZDUSSCGKSA-N	1	0	369.381	1.556	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cc(OC)no1	ZINC001087215809	783056221	/nfs/dbraw/zinc/05/62/21/783056221.db2.gz	RUMQVKGTUWPQEV-WTTBNOFXSA-N	1	0	363.458	1.991	20	30		FDEDRO
C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1	ZINC000275653507	772966703	/nfs/dbraw/zinc/96/67/03/772966703.db2.gz	GRWOKYLADBUQAU-HNNXBMFYSA-N	1	0	371.485	1.774	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1nccn1C)C2	ZINC001112486396	772971865	/nfs/dbraw/zinc/97/18/65/772971865.db2.gz	PUTRNTQLIOZEGI-PXNSSMCTSA-N	1	0	360.502	1.774	20	30		FDEDRO
[NH3+]C[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F)C(F)(F)F	ZINC000655957529	773051952	/nfs/dbraw/zinc/05/19/52/773051952.db2.gz	BOEKFHKBHVUGSI-QMMMGPOBSA-N	1	0	361.217	1.789	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCCS2(=O)=O)C[C@H]1C	ZINC001104288017	773080062	/nfs/dbraw/zinc/08/00/62/773080062.db2.gz	QGCFPMMGZIMNEE-YUELXQCFSA-N	1	0	362.923	1.780	20	30		FDEDRO
CC(C)c1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)cn1	ZINC001104288978	773475723	/nfs/dbraw/zinc/47/57/23/773475723.db2.gz	AVQULFFXXLICNP-NVXWUHKLSA-N	1	0	371.485	1.533	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)N(C)C)C1	ZINC001104294093	773877911	/nfs/dbraw/zinc/87/79/11/773877911.db2.gz	VNDTWWGOCFJQMB-BRWVUGGUSA-N	1	0	360.502	1.839	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cnsn2)C1=O	ZINC001087126723	774314798	/nfs/dbraw/zinc/31/47/98/774314798.db2.gz	IBDPCSXFDXHTGH-HZSPNIEDSA-N	1	0	363.487	1.155	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@]1(COC)CCOC1)C2	ZINC001112496024	774328535	/nfs/dbraw/zinc/32/85/35/774328535.db2.gz	DUYOVUCKBCEJMU-YSIASYRMSA-N	1	0	366.502	1.460	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC)C1	ZINC001112496470	774334506	/nfs/dbraw/zinc/33/45/06/774334506.db2.gz	YHHVYBYFAMPINM-DBVUQKKJSA-N	1	0	365.518	1.570	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21	ZINC001021642655	774339792	/nfs/dbraw/zinc/33/97/92/774339792.db2.gz	ITPMXLZADATZKX-RYQLBKOJSA-N	1	0	369.469	1.432	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cnns2)C1=O	ZINC001087128099	774347977	/nfs/dbraw/zinc/34/79/77/774347977.db2.gz	ZWYMVGCKSGQSHH-RDBSUJKOSA-N	1	0	363.487	1.155	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)Cc2ccc3c(c2)NC(=O)C3)C[C@H]1C	ZINC001104302760	774372014	/nfs/dbraw/zinc/37/20/14/774372014.db2.gz	FMDTUEUFBAYQAF-CRAIPNDOSA-N	1	0	353.466	1.821	20	30		FDEDRO
N#CC[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(F)(F)F	ZINC000932910759	774373894	/nfs/dbraw/zinc/37/38/94/774373894.db2.gz	MISPCBDNGAHREU-RDBSUJKOSA-N	1	0	362.396	1.898	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCOCC2)C1	ZINC001104306189	774436212	/nfs/dbraw/zinc/43/62/12/774436212.db2.gz	PPGVNHTZQYXXCJ-RLLQIKCJSA-N	1	0	361.530	1.585	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC1(C[NH2+]CCn2cncn2)CC1	ZINC001167422512	774563970	/nfs/dbraw/zinc/56/39/70/774563970.db2.gz	RUYLQBUUCHNJEZ-IRXDYDNUSA-N	1	0	361.490	1.526	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1	ZINC001021701682	774677968	/nfs/dbraw/zinc/67/79/68/774677968.db2.gz	CLKYPGVLZUKAOV-LZLYRXPVSA-N	1	0	356.470	1.299	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CO3)C[C@H]1C	ZINC001104314829	774718158	/nfs/dbraw/zinc/71/81/58/774718158.db2.gz	AVNZGYHVRQNSJN-GDBMZVCRSA-N	1	0	355.438	1.729	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC000275939902	774722596	/nfs/dbraw/zinc/72/25/96/774722596.db2.gz	XCNQLTCTEKVCAS-UHFFFAOYSA-N	1	0	357.414	1.221	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21	ZINC000275987909	774860908	/nfs/dbraw/zinc/86/09/08/774860908.db2.gz	QANRDYQAJSIMON-HOCLYGCPSA-N	1	0	356.426	1.448	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cscc2Cl)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104327350	775093485	/nfs/dbraw/zinc/09/34/85/775093485.db2.gz	JYSPAZRNFXPXRW-VXGBXAGGSA-N	1	0	368.890	1.729	20	30		FDEDRO
Cc1nn(C)cc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC001087143997	775223605	/nfs/dbraw/zinc/22/36/05/775223605.db2.gz	VCZLZXFGPQUHIJ-DYVFJYSZSA-N	1	0	354.458	1.959	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1CC[NH2+]Cc1ccccc1C#N	ZINC001104335329	775496321	/nfs/dbraw/zinc/49/63/21/775496321.db2.gz	KNVYQDPDCKBYQO-RHSMWYFYSA-N	1	0	365.437	1.942	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087148238	775569299	/nfs/dbraw/zinc/56/92/99/775569299.db2.gz	LNRYOWUCXPRRST-MNEFBYGVSA-N	1	0	368.481	1.801	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2ccn(C)c2)C1=O	ZINC001087148755	775780671	/nfs/dbraw/zinc/78/06/71/775780671.db2.gz	HOJYUANJJASNKU-NJAFHUGGSA-N	1	0	358.486	1.642	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3cnccc3n2)C[C@H]1C	ZINC001104726863	790402003	/nfs/dbraw/zinc/40/20/03/790402003.db2.gz	PHLJQSOGCZCMRL-SJLPKXTDSA-N	1	0	366.465	1.967	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1	ZINC000430556687	775924761	/nfs/dbraw/zinc/92/47/61/775924761.db2.gz	ZFVATTCGDZUQHB-FUHWJXTLSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)Cc2cnccc2OC)C[C@H]1C	ZINC001104345465	776031109	/nfs/dbraw/zinc/03/11/09/776031109.db2.gz	IFTTWMJBJZXFFQ-IAGOWNOFSA-N	1	0	361.486	1.910	20	30		FDEDRO
N#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)CC[NH+]4CCCCC4)[C@@H]3C2)[nH]1	ZINC001021883606	776484842	/nfs/dbraw/zinc/48/48/42/776484842.db2.gz	JMECELTXXAHRMC-MAUKXSAKSA-N	1	0	369.469	1.435	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C4CCCCC4)C[C@H]32)CC1	ZINC001021884289	776498436	/nfs/dbraw/zinc/49/84/36/776498436.db2.gz	VWQDHBYPOPEPTB-VQTJNVASSA-N	1	0	371.525	1.971	20	30		FDEDRO
CC(C)(CNC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)[NH+]1CCCCC1	ZINC000328781510	776769245	/nfs/dbraw/zinc/76/92/45/776769245.db2.gz	FSYONMZLCLMDIP-MRXNPFEDSA-N	1	0	366.506	1.488	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000892710769	790478849	/nfs/dbraw/zinc/47/88/49/790478849.db2.gz	BLYHLBIKESDIJB-QZTJIDSGSA-N	1	0	368.485	1.800	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C2CCC2)C[C@H]1c1ccccc1	ZINC001211515230	776971498	/nfs/dbraw/zinc/97/14/98/776971498.db2.gz	OXXYNWUSLBYECM-ZYSHUDEJSA-N	1	0	353.466	1.509	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2cn[nH]c(=O)c2)C1	ZINC001075421269	777073683	/nfs/dbraw/zinc/07/36/83/777073683.db2.gz	WIOTWUMDGLGVNK-SJLPKXTDSA-N	1	0	368.412	1.790	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnnn2-c2ccccc2)C[C@H]1C	ZINC001104737517	790506977	/nfs/dbraw/zinc/50/69/77/790506977.db2.gz	GSLPCINFAZXAPE-IAGOWNOFSA-N	1	0	351.454	1.978	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)c2cnc3ccccn3c2=O)C[C@H]1C	ZINC001104358708	777082975	/nfs/dbraw/zinc/08/29/75/777082975.db2.gz	GKRPCMZICNSPON-HZPDHXFCSA-N	1	0	354.454	1.958	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H]2CCNC2=O)C1	ZINC001075421963	777217690	/nfs/dbraw/zinc/21/76/90/777217690.db2.gz	CHUSFEIHFABJMM-NXHRZFHOSA-N	1	0	357.429	1.117	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CCO[C@@H]3C[N@@H+](CCC(C)(C)C)C[C@@H]32)nn1	ZINC001083219682	777252232	/nfs/dbraw/zinc/25/22/32/777252232.db2.gz	JQTSAIAFAWLLEG-DLBZAZTESA-N	1	0	361.490	1.816	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnn3cc(C)cnc23)C[C@H]1C	ZINC001104741531	790537965	/nfs/dbraw/zinc/53/79/65/790537965.db2.gz	SWUIOKUQUVVHEZ-IAGOWNOFSA-N	1	0	369.469	1.375	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnn3cccnc13)C2	ZINC001112505864	777411795	/nfs/dbraw/zinc/41/17/95/777411795.db2.gz	LRZLTPRIOHBVGZ-JXFKEZNVSA-N	1	0	367.453	1.211	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)c2coc(S(N)(=O)=O)c2)C[C@H]1C	ZINC001104363731	777496700	/nfs/dbraw/zinc/49/67/00/777496700.db2.gz	DXADYJAHDBJXEH-CHWSQXEVSA-N	1	0	355.460	1.191	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCn3ccnc3C2)C[C@H]1C	ZINC001104367288	777936127	/nfs/dbraw/zinc/93/61/27/777936127.db2.gz	NZURVIIQPBDZLI-FGTMMUONSA-N	1	0	358.486	1.170	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2nonc2C)C1	ZINC001075424614	777991006	/nfs/dbraw/zinc/99/10/06/777991006.db2.gz	SFKPRSQEDVBRTA-NVXWUHKLSA-N	1	0	356.401	1.986	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cn(C)nn2)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087161728	777992958	/nfs/dbraw/zinc/99/29/58/777992958.db2.gz	XCPDNNHHTUOANC-PBHICJAKSA-N	1	0	352.442	1.717	20	30		FDEDRO
C[NH+]1CCN(c2ccc(NC(=O)[C@H](O)c3ccc(C#N)cc3)cc2)CC1	ZINC000780854788	777993609	/nfs/dbraw/zinc/99/36/09/777993609.db2.gz	IKTFYNYEDVLEEB-LJQANCHMSA-N	1	0	350.422	1.982	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H](F)C[NH+](CC)CC	ZINC001067581560	778053700	/nfs/dbraw/zinc/05/37/00/778053700.db2.gz	NOUHOVLSGQHXPA-IKGGRYGDSA-N	1	0	371.497	1.564	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH]c4cc(C)ccc34)[C@H]2C1	ZINC001083222381	778090164	/nfs/dbraw/zinc/09/01/64/778090164.db2.gz	QERRUXCLMXQOPG-VQTJNVASSA-N	1	0	351.450	1.954	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C#CC2CC2)[C@H](C[NH2+]Cc2ccc(C(N)=O)cc2)C1	ZINC001087164122	778104995	/nfs/dbraw/zinc/10/49/95/778104995.db2.gz	IZMUSGMXJSKDMA-BEFAXECRSA-N	1	0	353.466	1.916	20	30		FDEDRO
Cc1nnc(CNC(=[NH+]C2CC2)N2CC(=O)N(C(C)C)C(C)(C)C2)n1C	ZINC000261962391	778356894	/nfs/dbraw/zinc/35/68/94/778356894.db2.gz	KPUJRRIIZBMKFJ-UHFFFAOYSA-N	1	0	361.494	1.063	20	30		FDEDRO
COc1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c(O)c1OC	ZINC000891580263	778379499	/nfs/dbraw/zinc/37/94/99/778379499.db2.gz	DDCDMXVDDDVMES-UHFFFAOYSA-N	1	0	354.410	1.998	20	30		FDEDRO
COCc1nc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc(=O)[nH]1	ZINC000891620304	778589768	/nfs/dbraw/zinc/58/97/68/778589768.db2.gz	VMRFKLFRVGGQFM-UHFFFAOYSA-N	1	0	353.426	1.913	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cc(C)cc(C)n2)C[C@H]1C	ZINC001104375464	778601978	/nfs/dbraw/zinc/60/19/78/778601978.db2.gz	NLCJKCQTXCPOBO-BPQIPLTHSA-N	1	0	370.497	1.524	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)Cc3cn4cccc(C)c4n3)[C@H]2C1	ZINC001083223839	778620866	/nfs/dbraw/zinc/62/08/66/778620866.db2.gz	SDXWENZNNPWMCP-ZWKOTPCHSA-N	1	0	354.454	1.673	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C=C(C)C)C[C@H]1c1ccccc1	ZINC001211520782	778778947	/nfs/dbraw/zinc/77/89/47/778778947.db2.gz	SSCOOSFOVDOIPR-NZSAHSFTSA-N	1	0	353.466	1.675	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)N(C)C1	ZINC000328921533	779342805	/nfs/dbraw/zinc/34/28/05/779342805.db2.gz	CEZGQZDBTQRFEK-BZSNNMDCSA-N	1	0	365.449	1.875	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)[N@H+](C)C1	ZINC000328930539	779360233	/nfs/dbraw/zinc/36/02/33/779360233.db2.gz	HMRSGHASUNSLDV-IRXDYDNUSA-N	1	0	366.506	1.533	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cn(-c3ccccc3)nn2)C[C@H]1C	ZINC001104382864	779661328	/nfs/dbraw/zinc/66/13/28/779661328.db2.gz	LEPPXEGLZLPFMP-IAGOWNOFSA-N	1	0	351.454	1.978	20	30		FDEDRO
C#CCCN1CCN(CC(=O)Nc2cc(-c3n[nH]c(C)n3)ccc2C)CC1	ZINC000376859184	790778974	/nfs/dbraw/zinc/77/89/74/790778974.db2.gz	XTGKJZGSIOWUFD-UHFFFAOYSA-N	1	0	366.469	1.668	20	30		FDEDRO
CC1CC[NH+](CC(=O)N2CC[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]32)CC1	ZINC001022516790	780909857	/nfs/dbraw/zinc/90/98/57/780909857.db2.gz	XCBKQJMNMAEDOM-MAUKXSAKSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@H]1c1ccccc1	ZINC001211534081	781023529	/nfs/dbraw/zinc/02/35/29/781023529.db2.gz	PTKYSRFVYYUCJA-IPMKNSEASA-N	1	0	360.454	1.189	20	30		FDEDRO
C[C@@H](CC(N)=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccccc2C#N)C1	ZINC001112509280	781040243	/nfs/dbraw/zinc/04/02/43/781040243.db2.gz	QXFYRYWCFPABSX-XERREHJYSA-N	1	0	368.481	1.788	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CCCC)C[C@H]1c1ccccc1	ZINC001211535574	781288090	/nfs/dbraw/zinc/28/80/90/781288090.db2.gz	ICCFLXXFKDHQFX-YTQUADARSA-N	1	0	355.482	1.899	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NCc3ccc4c(c3)C[NH2+]C4)CC2)cn1	ZINC000892087044	781479926	/nfs/dbraw/zinc/47/99/26/781479926.db2.gz	RXKIOANLSZMIHQ-UHFFFAOYSA-N	1	0	362.437	1.588	20	30		FDEDRO
CC[N@H+](CCNC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)C(C)C	ZINC000472105996	781626373	/nfs/dbraw/zinc/62/63/73/781626373.db2.gz	LVCBYSBFXJWITK-UHFFFAOYSA-N	1	0	361.494	1.162	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H](C)C(C)C)[C@@H]3C2)CC1	ZINC001022791898	783241997	/nfs/dbraw/zinc/24/19/97/783241997.db2.gz	UDOUJYOMYZLYPW-YTQUADARSA-N	1	0	359.514	1.683	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1	ZINC000972314876	783242683	/nfs/dbraw/zinc/24/26/83/783242683.db2.gz	RSNYBFMPVDJXNB-FGTMMUONSA-N	1	0	359.514	1.990	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]21	ZINC000972342050	783363342	/nfs/dbraw/zinc/36/33/42/783363342.db2.gz	HHIUBGOLLIFKLP-QLFBSQMISA-N	1	0	353.894	1.919	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCC#CC)C2	ZINC001112513562	783422593	/nfs/dbraw/zinc/42/25/93/783422593.db2.gz	DJHVMLIDZMNVQT-LQWHRVPQSA-N	1	0	357.498	1.536	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(NC(C)=O)c3C)[C@H]2C1	ZINC001083248576	783458410	/nfs/dbraw/zinc/45/84/10/783458410.db2.gz	NQOPDKSIUMJNLD-RBUKOAKNSA-N	1	0	355.438	1.502	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccnc1C)C2	ZINC001112519669	783842007	/nfs/dbraw/zinc/84/20/07/783842007.db2.gz	UIJNPZQHBPKHQX-WWMYMODYSA-N	1	0	370.497	1.913	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)COc3ccc4c(c3)CCC4)[C@H]2C1	ZINC001083265850	783891012	/nfs/dbraw/zinc/89/10/12/783891012.db2.gz	USQNLXKNFHWNJB-VQTJNVASSA-N	1	0	354.450	1.489	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCS(N)(=O)=O)C2	ZINC001112520579	784214789	/nfs/dbraw/zinc/21/47/89/784214789.db2.gz	LQGQEJISWOHCAX-RDJZCZTQSA-N	1	0	357.520	1.240	20	30		FDEDRO
N#CCNC(=O)CNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000377069591	791025791	/nfs/dbraw/zinc/02/57/91/791025791.db2.gz	VYOSBJLQMZBEHM-UHFFFAOYSA-N	1	0	369.469	1.324	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCN1CCCC1=O	ZINC001024443396	784702010	/nfs/dbraw/zinc/70/20/10/784702010.db2.gz	IJSPSHBCTSAQTR-KSZLIROESA-N	1	0	363.502	1.561	20	30		FDEDRO
CC(C)(C)NC(=O)CN1CCC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CC1	ZINC000364404803	785048158	/nfs/dbraw/zinc/04/81/58/785048158.db2.gz	PEBHVDOGBUGQQC-GOSISDBHSA-N	1	0	358.486	1.514	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)COc1ccccc1C#N	ZINC000364547940	785092410	/nfs/dbraw/zinc/09/24/10/785092410.db2.gz	SKKDLFAQYKYHBR-KBAYOESNSA-N	1	0	357.454	1.943	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3CC[C@@H](O)C3)cn2)CC1	ZINC000329922976	785184046	/nfs/dbraw/zinc/18/40/46/785184046.db2.gz	IGBAVMAPYGTQHO-NVXWUHKLSA-N	1	0	361.490	1.388	20	30		FDEDRO
CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1	ZINC000892491944	785259631	/nfs/dbraw/zinc/25/96/31/785259631.db2.gz	PNEPUPVZLNZIAY-OAHLLOKOSA-N	1	0	356.474	1.563	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1	ZINC000658809550	785466912	/nfs/dbraw/zinc/46/69/12/785466912.db2.gz	CAGGYLZEMWRPDQ-IAGOWNOFSA-N	1	0	351.491	1.370	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cccn3c(=O)[nH]nc23)C1	ZINC001111935944	785635543	/nfs/dbraw/zinc/63/55/43/785635543.db2.gz	YYFZKJKWVDKXFK-LIRRHRJNSA-N	1	0	355.442	1.985	20	30		FDEDRO
CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC001024702189	785769553	/nfs/dbraw/zinc/76/95/53/785769553.db2.gz	PUZOADJDHCAIKD-CMKODMSKSA-N	1	0	368.481	1.595	20	30		FDEDRO
N#Cc1cc(C(=O)N2CCN(CC[N@@H+]3CCCOCC3)CC2)ccc1F	ZINC000376104948	785893090	/nfs/dbraw/zinc/89/30/90/785893090.db2.gz	YOQYGCDUPCRUEE-UHFFFAOYSA-N	1	0	360.433	1.177	20	30		FDEDRO
CC(C)[C@@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC#N)C1	ZINC001211682157	805657502	/nfs/dbraw/zinc/65/75/02/805657502.db2.gz	MNKQRUBUNNRDOQ-BPQIPLTHSA-N	1	0	356.470	1.502	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCC)C2)C[C@H]1c1ccccc1	ZINC001211682169	805657711	/nfs/dbraw/zinc/65/77/11/805657711.db2.gz	NCOXJOBLYWDFCF-HSALFYBXSA-N	1	0	367.493	1.852	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC23CCC3)C[C@H]1c1ccccc1	ZINC001211682358	805667841	/nfs/dbraw/zinc/66/78/41/805667841.db2.gz	WAOLYCPXXKOFGH-GBESFXJTSA-N	1	0	365.477	1.510	20	30		FDEDRO
N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@@H]2[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)O1	ZINC000376169410	786591378	/nfs/dbraw/zinc/59/13/78/786591378.db2.gz	ZBOSIFUTMVLEMW-ZJPYXAASSA-N	1	0	370.453	1.231	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)CC2)C1	ZINC000376238534	786959911	/nfs/dbraw/zinc/95/99/11/786959911.db2.gz	GBDGTCNLILQYHX-IBGZPJMESA-N	1	0	352.482	1.828	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1	ZINC000376310981	787225111	/nfs/dbraw/zinc/22/51/11/787225111.db2.gz	KZMDWINARHLZKJ-JZXOWHBKSA-N	1	0	367.449	1.580	20	30		FDEDRO
CN1CCN(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C[C@H]1C#N	ZINC000376322109	787285425	/nfs/dbraw/zinc/28/54/25/787285425.db2.gz	PHSPTGDBHFEQGP-YSTOQKLRSA-N	1	0	367.497	1.746	20	30		FDEDRO
C=CCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCO[C@H]3C(=C)C)C2)nn1	ZINC001105340604	805780470	/nfs/dbraw/zinc/78/04/70/805780470.db2.gz	HHUOOQMLOHKIOW-ROUUACIJSA-N	1	0	359.474	1.698	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cn(C)nc3C)C[C@H]21	ZINC000978832781	805813652	/nfs/dbraw/zinc/81/36/52/805813652.db2.gz	WKNBYDIYSWTYLH-FKSLSLAPSA-N	1	0	358.486	1.504	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1CNCc1ncnn1CCC	ZINC001025090959	787829399	/nfs/dbraw/zinc/82/93/99/787829399.db2.gz	VOANZXWLCKIRCV-ZACQAIPSSA-N	1	0	361.490	1.750	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCNC2=O)C1	ZINC001104563682	787925275	/nfs/dbraw/zinc/92/52/75/787925275.db2.gz	QXQRPGUBVHXRAP-IXDOHACOSA-N	1	0	350.507	1.688	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1	ZINC001025174922	788187878	/nfs/dbraw/zinc/18/78/78/788187878.db2.gz	CZRQTUVPGPNCFG-GVDBMIGSSA-N	1	0	365.518	1.399	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)CCc2ccc(=O)[nH]c2)C[C@H]1C	ZINC001104579343	788463017	/nfs/dbraw/zinc/46/30/17/788463017.db2.gz	ANDIQTHIINSPPD-SJLPKXTDSA-N	1	0	359.470	1.444	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000659345029	788514891	/nfs/dbraw/zinc/51/48/91/788514891.db2.gz	RLFCBDGGSMESPR-QGZVFWFLSA-N	1	0	350.507	1.038	20	30		FDEDRO
O=C(CC#Cc1ccccc1)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCC1)C2	ZINC001111999532	788527076	/nfs/dbraw/zinc/52/70/76/788527076.db2.gz	NWYKINJBXRAJPO-UGKGYDQZSA-N	1	0	365.477	1.631	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nc1	ZINC000973335416	788688190	/nfs/dbraw/zinc/68/81/90/788688190.db2.gz	QJQXJBSSYPKBNT-NBOOPKSLSA-N	1	0	354.454	1.170	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3nnn(C)c3C2)C[C@H]1C	ZINC001104590561	788775320	/nfs/dbraw/zinc/77/53/20/788775320.db2.gz	TYBSJORTLCOTLQ-IXDOHACOSA-N	1	0	359.518	1.960	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3nnn(C)c3C2)C[C@H]1C	ZINC001104590560	788775927	/nfs/dbraw/zinc/77/59/27/788775927.db2.gz	TYBSJORTLCOTLQ-BRWVUGGUSA-N	1	0	359.518	1.960	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn3cccnc23)C[C@H]1c1ccccc1	ZINC001211645173	788862182	/nfs/dbraw/zinc/86/21/82/788862182.db2.gz	UDIUFXCKMRMFCL-RBUKOAKNSA-N	1	0	359.433	1.950	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2C)C[C@H]1c1ccccc1	ZINC001211645269	788863299	/nfs/dbraw/zinc/86/32/99/788863299.db2.gz	WPWVVNYPBNUQEF-ZWKOTPCHSA-N	1	0	367.453	1.218	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(=O)c2ccccc2)C[C@H]1C	ZINC001104614666	788903530	/nfs/dbraw/zinc/90/35/30/788903530.db2.gz	MKULYUTYFVQNBL-IEBWSBKVSA-N	1	0	355.482	1.856	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1	ZINC000973427500	788975025	/nfs/dbraw/zinc/97/50/25/788975025.db2.gz	UETBJPDYLCGGJD-DTDBQYNISA-N	1	0	368.437	1.611	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C2(C(=O)NC)CC2)C[C@H]1c1ccccc1	ZINC001211688406	805926172	/nfs/dbraw/zinc/92/61/72/805926172.db2.gz	WQWCLKWURXQBFP-JKSUJKDBSA-N	1	0	361.873	1.849	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nncs3)C2)c1	ZINC001104659234	789180853	/nfs/dbraw/zinc/18/08/53/789180853.db2.gz	GGEBDLJNEOSKCT-UKRRQHHQSA-N	1	0	355.467	1.802	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnn(C)c3)C2)c1	ZINC001104659443	789181858	/nfs/dbraw/zinc/18/18/58/789181858.db2.gz	LHPWXTZPNMEIRE-CRAIPNDOSA-N	1	0	351.454	1.684	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2occc2C)C[C@H]1C	ZINC001104660269	789211248	/nfs/dbraw/zinc/21/12/48/789211248.db2.gz	SHOLMIYVDWFCKI-IXDOHACOSA-N	1	0	359.470	1.343	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)C(=C)C)C[C@H]1c1ccccc1	ZINC001211647236	789329616	/nfs/dbraw/zinc/32/96/16/789329616.db2.gz	WJIRIUPSTCSPMH-RBUKOAKNSA-N	1	0	367.493	1.922	20	30		FDEDRO
C=CCCOCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C2	ZINC001112018012	789339098	/nfs/dbraw/zinc/33/90/98/789339098.db2.gz	XBPJSFPJXKIGCW-ZWOKBUDYSA-N	1	0	365.518	1.805	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC(F)(F)C(F)F)C[C@H]1C	ZINC001104682021	789353393	/nfs/dbraw/zinc/35/33/93/789353393.db2.gz	XDJDRGBNPYRGRN-VXGBXAGGSA-N	1	0	367.387	1.653	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CC[NH2+]Cc1ccc(C#N)s1	ZINC001104687010	789378136	/nfs/dbraw/zinc/37/81/36/789378136.db2.gz	SFTMWASRMBNLIL-BHTHQVBYSA-N	1	0	360.483	1.315	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1C	ZINC001104689516	789430071	/nfs/dbraw/zinc/43/00/71/789430071.db2.gz	SPZJSPQAVNXERO-RBSFLKMASA-N	1	0	369.456	1.634	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2nccc3[nH]ccc32)C[C@H]1C	ZINC001104694328	789463397	/nfs/dbraw/zinc/46/33/97/789463397.db2.gz	MJFAXJYMZIVIER-HUUCEWRRSA-N	1	0	369.469	1.553	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCCC2)C1	ZINC001104699710	789520622	/nfs/dbraw/zinc/52/06/22/789520622.db2.gz	GICZMUIPPDZGPC-TVFCKZIOSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=CCCC1(CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)CCCC1	ZINC000659716752	789543565	/nfs/dbraw/zinc/54/35/65/789543565.db2.gz	CKJPURYRWHNHIE-CABCVRRESA-N	1	0	351.491	1.858	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCC12CC(C1)C[NH2+]2	ZINC000659739698	789646761	/nfs/dbraw/zinc/64/67/61/789646761.db2.gz	CFVBQKIFJLBOEV-UHFFFAOYSA-N	1	0	353.875	1.784	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@H]1C	ZINC001104711711	789651104	/nfs/dbraw/zinc/65/11/04/789651104.db2.gz	YPISZXCAUHLIST-CHWSQXEVSA-N	1	0	359.392	1.153	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc3[nH]ccc32)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104713414	789653340	/nfs/dbraw/zinc/65/33/40/789653340.db2.gz	TVAIZRWKJVYLPT-HUUCEWRRSA-N	1	0	367.453	1.495	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)n1	ZINC000892799999	791279135	/nfs/dbraw/zinc/27/91/35/791279135.db2.gz	QHNFEHUBSMQUCI-LJQANCHMSA-N	1	0	351.454	1.762	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(S(C)(=O)=O)o2)C[C@H]1C	ZINC001104745275	791308033	/nfs/dbraw/zinc/30/80/33/791308033.db2.gz	JPSGIXVKCWXUTM-ZIAGYGMSSA-N	1	0	354.472	1.947	20	30		FDEDRO
C=C[C@H](CO)[NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1	ZINC000662167891	806054380	/nfs/dbraw/zinc/05/43/80/806054380.db2.gz	QKRVTVRBFMFXMB-CYBMUJFWSA-N	1	0	357.248	1.423	20	30		FDEDRO
C=CCCCCCCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1	ZINC000377244993	791356437	/nfs/dbraw/zinc/35/64/37/791356437.db2.gz	WUAHOJNBCPGKHV-UHFFFAOYSA-N	1	0	361.490	2.341	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)N1CCC(N2CCN(C)CC2=O)CC1	ZINC000377260642	791391283	/nfs/dbraw/zinc/39/12/83/791391283.db2.gz	DYQIILTZZRGHSL-HNNXBMFYSA-N	1	0	370.453	1.091	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CC23CCN(c2ccncc2C#N)CC3)CC[N@@H+]1C	ZINC001058655494	791688570	/nfs/dbraw/zinc/68/85/70/791688570.db2.gz	AMQXHLWIEMOSRH-KYJSFNMBSA-N	1	0	353.470	1.769	20	30		FDEDRO
C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1	ZINC000415282503	791828677	/nfs/dbraw/zinc/82/86/77/791828677.db2.gz	MOLSTLMIETWXFR-LBPRGKRZSA-N	1	0	366.368	1.556	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)cc1	ZINC000415298306	791874395	/nfs/dbraw/zinc/87/43/95/791874395.db2.gz	GJLWMLDRKGAIJQ-KRWDZBQOSA-N	1	0	370.453	1.308	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1	ZINC001025744687	791920909	/nfs/dbraw/zinc/92/09/09/791920909.db2.gz	HVVUGARECISCAC-BRWVUGGUSA-N	1	0	365.518	1.541	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)cc1	ZINC000415387786	792171212	/nfs/dbraw/zinc/17/12/12/792171212.db2.gz	YIACKTBCYCZGJU-KRWDZBQOSA-N	1	0	370.453	1.308	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000377553289	792194958	/nfs/dbraw/zinc/19/49/58/792194958.db2.gz	NWMVDORFALTIGQ-KSSFIOAISA-N	1	0	369.469	1.299	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)ccc1OC(F)(F)F	ZINC000415413590	792219052	/nfs/dbraw/zinc/21/90/52/792219052.db2.gz	YXLDFOJTGRCEBR-SNVBAGLBSA-N	1	0	370.331	1.511	20	30		FDEDRO
C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccccc2F)C[C@H]1C(F)(F)F	ZINC001112035411	792233323	/nfs/dbraw/zinc/23/33/23/792233323.db2.gz	ASHNTZWMLRQFIB-TZMCWYRMSA-N	1	0	371.334	1.168	20	30		FDEDRO
C[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)[C@H](C[NH3+])C1	ZINC000415446578	792282996	/nfs/dbraw/zinc/28/29/96/792282996.db2.gz	HJPVDWPUMDPYGL-JSGCOSHPSA-N	1	0	356.405	2.474	20	30		FDEDRO
CC(=O)CCc1ccc(OC[C@H](O)C[NH2+]C2CCN(CC#N)CC2)cc1	ZINC000644550556	792301279	/nfs/dbraw/zinc/30/12/79/792301279.db2.gz	KMIWZIPJRNWALT-LJQANCHMSA-N	1	0	359.470	1.525	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)NC[C@H]([NH3+])C(C)C)c(C#N)cn1CCOC	ZINC000415483208	792338988	/nfs/dbraw/zinc/33/89/88/792338988.db2.gz	GPFNYSSZXGCYGM-ZDUSSCGKSA-N	1	0	365.434	1.288	20	30		FDEDRO
N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)NC[C@H]([NH3+])C1CC1	ZINC000415539875	792471506	/nfs/dbraw/zinc/47/15/06/792471506.db2.gz	NFVXEZHUIGLQDL-AWEZNQCLSA-N	1	0	365.393	1.538	20	30		FDEDRO
C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000415646920	792742433	/nfs/dbraw/zinc/74/24/33/792742433.db2.gz	DRQXPLHHIPZWAS-SKDRFNHKSA-N	1	0	370.331	1.510	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)NC(=O)NCC)C[C@H]1C	ZINC001104751422	792916954	/nfs/dbraw/zinc/91/69/54/792916954.db2.gz	PHKRVZNZSTXEAO-TZMCWYRMSA-N	1	0	358.914	1.911	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1	ZINC000415801039	793017778	/nfs/dbraw/zinc/01/77/78/793017778.db2.gz	FTWZWEFHEQPTFW-WBVHZDCISA-N	1	0	356.426	1.160	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(=O)NC3CCCC3)C[C@H]21	ZINC001026055161	793028979	/nfs/dbraw/zinc/02/89/79/793028979.db2.gz	YVAVRSBWGQGJBQ-UVWFUSSVSA-N	1	0	361.486	1.071	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)ccc1C#N	ZINC000415866676	793222203	/nfs/dbraw/zinc/22/22/03/793222203.db2.gz	VSBUNBZBCWSAQQ-INIZCTEOSA-N	1	0	355.442	1.437	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1	ZINC000979324967	806235639	/nfs/dbraw/zinc/23/56/39/806235639.db2.gz	MFXXJIKCVVHBFL-ILOCAZANSA-N	1	0	363.502	1.463	20	30		FDEDRO
N#Cc1ccc(NC(=O)CCN2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)cc1	ZINC000378009421	793383643	/nfs/dbraw/zinc/38/36/43/793383643.db2.gz	XWNBQRSZAZOLIB-MOPGFXCFSA-N	1	0	356.470	1.808	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1	ZINC000979329303	806242198	/nfs/dbraw/zinc/24/21/98/806242198.db2.gz	VPYGUTFUDSKMOO-XDNAFOTISA-N	1	0	363.502	1.320	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ocnc3C)C2)nn1	ZINC001104769420	793555931	/nfs/dbraw/zinc/55/59/31/793555931.db2.gz	UIDCAPAKIIQUMY-UKRRQHHQSA-N	1	0	358.446	1.649	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)Cn2nnnc2C(C)C)C[C@H]1C	ZINC001104772897	793579828	/nfs/dbraw/zinc/57/98/28/793579828.db2.gz	UCOORFJZVBDETE-HZPDHXFCSA-N	1	0	364.494	1.073	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cncn2C)C1	ZINC001104782459	793631304	/nfs/dbraw/zinc/63/13/04/793631304.db2.gz	CIDVKLUJQWJHCE-FPAYPSAMSA-N	1	0	360.502	1.976	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2csc(-c3nc[nH]n3)n2)C[C@H]1C	ZINC001104787860	793681001	/nfs/dbraw/zinc/68/10/01/793681001.db2.gz	XAVJXILAJJAFJH-CHWSQXEVSA-N	1	0	358.471	1.639	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cccc(OCC#N)c2)CCN1C1CC[NH+](C)CC1	ZINC000378364459	794022975	/nfs/dbraw/zinc/02/29/75/794022975.db2.gz	BMSGLNFNAUTPCT-QGZVFWFLSA-N	1	0	370.497	1.758	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)Cc2cnn(C)c2)C[C@H]1C	ZINC001104852667	794077336	/nfs/dbraw/zinc/07/73/36/794077336.db2.gz	UYUWNANXQINUOI-ZHALLVOQSA-N	1	0	360.502	1.323	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CC)C[C@H]1C	ZINC001104882391	794196711	/nfs/dbraw/zinc/19/67/11/794196711.db2.gz	XGDWQFTUNDADEN-KZNAEPCWSA-N	1	0	365.518	1.664	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cc(Cn3cccn3)on2)C[C@H]1C	ZINC001104889402	794229506	/nfs/dbraw/zinc/22/95/06/794229506.db2.gz	FSTLYNLJPMEUEB-HZPDHXFCSA-N	1	0	355.442	1.631	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cn(C)nc2Cl)C[C@H]1C	ZINC001104898126	794284038	/nfs/dbraw/zinc/28/40/38/794284038.db2.gz	KTKCRLNLLZAJMB-CHWSQXEVSA-N	1	0	367.881	1.064	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3n[nH]cc3C2)C[C@H]1C	ZINC001104905131	794323191	/nfs/dbraw/zinc/32/31/91/794323191.db2.gz	YXKOZUNHKOLFHB-BRWVUGGUSA-N	1	0	360.502	1.791	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1)c1ccccc1	ZINC001104917832	794369759	/nfs/dbraw/zinc/36/97/59/794369759.db2.gz	NVXYTQFECAWMQB-SOLBZPMBSA-N	1	0	356.470	1.504	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCOC)C1	ZINC001104921597	794403570	/nfs/dbraw/zinc/40/35/70/794403570.db2.gz	JRIISRNEIVZLLI-IAGOWNOFSA-N	1	0	359.470	1.818	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ccnn3C)C2)cn1	ZINC001104927560	794434425	/nfs/dbraw/zinc/43/44/25/794434425.db2.gz	JHGRYNTWZNVLHX-NVXWUHKLSA-N	1	0	351.454	1.684	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(CC)CC)C2)cn1	ZINC001104927731	794435591	/nfs/dbraw/zinc/43/55/91/794435591.db2.gz	QVXZTQSVOCJFTR-SJLPKXTDSA-N	1	0	370.497	1.619	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCCC)C2)cn1	ZINC001104927739	794435626	/nfs/dbraw/zinc/43/56/26/794435626.db2.gz	RHCLBQFNEUJBHB-SJLPKXTDSA-N	1	0	370.497	1.667	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)COc2ccccc2)C[C@H]1C	ZINC001104946072	794512494	/nfs/dbraw/zinc/51/24/94/794512494.db2.gz	LRZMSGIXBFGSGS-KZNAEPCWSA-N	1	0	371.481	1.278	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnc(C)[nH]2)C1	ZINC001104954621	794552468	/nfs/dbraw/zinc/55/24/68/794552468.db2.gz	KOEPEIXPOACAQF-DNVCBOLYSA-N	1	0	365.481	1.911	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](OC)C2CCCC2)C[C@H]1C	ZINC001104960061	794595779	/nfs/dbraw/zinc/59/57/79/794595779.db2.gz	NPRMVHMVKOMASF-QRQLOZEOSA-N	1	0	350.503	1.916	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cncnc2C2CC2)C[C@H]1C	ZINC001104965559	794614594	/nfs/dbraw/zinc/61/45/94/794614594.db2.gz	VOPPCZYWCFVMDC-GDBMZVCRSA-N	1	0	371.485	1.344	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCS(=O)(=O)CC)C1	ZINC001112068121	794621115	/nfs/dbraw/zinc/62/11/15/794621115.db2.gz	JSUOQCCDKSLHBB-CHWSQXEVSA-N	1	0	370.437	1.756	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)C[C@H]1C	ZINC001104978158	794713797	/nfs/dbraw/zinc/71/37/97/794713797.db2.gz	OYFKVPZILKJFDI-HUUCEWRRSA-N	1	0	364.490	1.357	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(Cl)s2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104978128	794713914	/nfs/dbraw/zinc/71/39/14/794713914.db2.gz	NIZALPPAJAUFHW-VXGBXAGGSA-N	1	0	368.890	1.729	20	30		FDEDRO
C[C@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1)c1ccccc1	ZINC001104978782	794720001	/nfs/dbraw/zinc/72/00/01/794720001.db2.gz	GTRJKXZBRCMTNP-ZHALLVOQSA-N	1	0	370.497	1.894	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)c2ccccc2C)C[C@H]1C	ZINC001104984999	794736266	/nfs/dbraw/zinc/73/62/66/794736266.db2.gz	OCUKKGJEANAJBB-QZTJIDSGSA-N	1	0	355.482	1.822	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cccs2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104994447	794766234	/nfs/dbraw/zinc/76/62/34/794766234.db2.gz	PZYYLKDJRAIVKM-HUUCEWRRSA-N	1	0	362.499	1.395	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2c(C)noc2C)C[C@H]1C	ZINC001105001803	794830142	/nfs/dbraw/zinc/83/01/42/794830142.db2.gz	UQLJKLXTAWIXMY-CZUORRHYSA-N	1	0	362.474	1.210	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(C)co2)C[C@H]1c1ccccc1	ZINC001211652822	794947559	/nfs/dbraw/zinc/94/75/59/794947559.db2.gz	CAYBFDBEXNVBSI-ZWKOTPCHSA-N	1	0	365.433	1.535	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1	ZINC000974271731	794996934	/nfs/dbraw/zinc/99/69/34/794996934.db2.gz	IBKPVVWPMUBNQV-TWMKSMIVSA-N	1	0	361.486	1.217	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)COCCOC)C[C@H]1C(F)(F)F	ZINC001112074694	795049233	/nfs/dbraw/zinc/04/92/33/795049233.db2.gz	SJJXPRDQMFGGFV-MGPQQGTHSA-N	1	0	352.397	1.983	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)c2cccnc2C(N)=O)C[C@H]1C	ZINC001105050187	795065764	/nfs/dbraw/zinc/06/57/64/795065764.db2.gz	LBOQTRWMLNOCIF-DGCLKSJQSA-N	1	0	350.850	1.621	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C=C)c2ccccc2)C[C@H]1C	ZINC001105050534	795066494	/nfs/dbraw/zinc/06/64/94/795066494.db2.gz	SNRKWBNUMLBRNS-RLLQIKCJSA-N	1	0	367.493	1.780	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCC(C#N)CC1	ZINC000511611843	795076831	/nfs/dbraw/zinc/07/68/31/795076831.db2.gz	NBMOPKZKKFEFOX-YJBOKZPZSA-N	1	0	354.454	1.385	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](C)OC)C1	ZINC001105064552	795111699	/nfs/dbraw/zinc/11/16/99/795111699.db2.gz	WPQUOBXTODIECE-BZUAXINKSA-N	1	0	368.522	1.359	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC(C2CC2)C2CC2)C[C@H]1C	ZINC001105070873	795154396	/nfs/dbraw/zinc/15/43/96/795154396.db2.gz	CHYPOXWRXZBHIZ-CRAIPNDOSA-N	1	0	359.514	1.636	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C[C@H]1C	ZINC001105084041	795189056	/nfs/dbraw/zinc/18/90/56/795189056.db2.gz	KQLJVFIMDMLMGW-CWLROJRBSA-N	1	0	359.514	1.655	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCCN(C)C2=O)C1	ZINC001105090447	795235210	/nfs/dbraw/zinc/23/52/10/795235210.db2.gz	VVTNIXCZFLXRDL-ZACQAIPSSA-N	1	0	351.491	1.274	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)NC(=O)C2CCC2)C[C@H]1C	ZINC001105111324	795322115	/nfs/dbraw/zinc/32/21/15/795322115.db2.gz	UDEVNVIXAJLACQ-SOLBZPMBSA-N	1	0	363.502	1.015	20	30		FDEDRO
C[C@@H](CCCC[NH3+])NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000417982409	795444767	/nfs/dbraw/zinc/44/47/67/795444767.db2.gz	AEORDVSVUBJNJP-WMLDXEAASA-N	1	0	357.458	1.870	20	30		FDEDRO
CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000417991296	795446799	/nfs/dbraw/zinc/44/67/99/795446799.db2.gz	KIHIEXYTMBGEEW-MSOLQXFVSA-N	1	0	369.469	1.837	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)COC(C)(C)C)C[C@H]1C(F)(F)F	ZINC001112086712	795468409	/nfs/dbraw/zinc/46/84/09/795468409.db2.gz	PEHBMUQUWZYJGX-CHWSQXEVSA-N	1	0	352.397	1.983	20	30		FDEDRO
CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000418077019	795512844	/nfs/dbraw/zinc/51/28/44/795512844.db2.gz	KVCBOASEZYWVJE-IAGOWNOFSA-N	1	0	357.458	1.332	20	30		FDEDRO
C#CCC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3C[C@H]3c3ccccc3)C2)nn1	ZINC001105243162	795532918	/nfs/dbraw/zinc/53/29/18/795532918.db2.gz	YIQNBELGIKEHIR-PXNSSMCTSA-N	1	0	363.465	1.968	20	30		FDEDRO
N#Cc1cccc(CCNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1	ZINC000418149589	795577649	/nfs/dbraw/zinc/57/76/49/795577649.db2.gz	POECFAZFTDDJRJ-HNNXBMFYSA-N	1	0	369.391	1.236	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@H]3OCC[C@H]3CC)C2)nn1	ZINC001105264755	795625731	/nfs/dbraw/zinc/62/57/31/795625731.db2.gz	OXCFQQXXCREZQT-RKVPGOIHSA-N	1	0	361.490	1.921	20	30		FDEDRO
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCCN1CC[NH2+]CC1	ZINC000418289163	795710081	/nfs/dbraw/zinc/71/00/81/795710081.db2.gz	CILSBUDFHQPVRG-UHFFFAOYSA-N	1	0	362.522	1.847	20	30		FDEDRO
N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NC2CC[NH2+]CC2)CC1	ZINC000418301826	795744029	/nfs/dbraw/zinc/74/40/29/795744029.db2.gz	ABLLYNDRYGUILM-UHFFFAOYSA-N	1	0	370.413	1.390	20	30		FDEDRO
Cc1ccc(-n2nc(CCCNC(=O)NCC(C)(C)[NH3+])c(C#N)c2N)cc1	ZINC000418428758	795910913	/nfs/dbraw/zinc/91/09/13/795910913.db2.gz	MVEFEKDTEXCENJ-UHFFFAOYSA-N	1	0	369.473	1.604	20	30		FDEDRO
CCC([NH3+])(CC)CNC(=O)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000418430482	795913737	/nfs/dbraw/zinc/91/37/37/795913737.db2.gz	UXINSORCBJKZFW-YJYMSZOUSA-N	1	0	355.442	1.559	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO[C@H]2CC2(F)F)C1	ZINC001112098592	795937028	/nfs/dbraw/zinc/93/70/28/795937028.db2.gz	MOLCDKGACGOMSV-UPJWGTAASA-N	1	0	366.330	1.803	20	30		FDEDRO
C[C@@H](C[NH3+])CNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000418470516	795964193	/nfs/dbraw/zinc/96/41/93/795964193.db2.gz	LJLIJDNNJPJPNI-ZDUSSCGKSA-N	1	0	355.446	1.153	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)CCC[NH2+]1	ZINC000662463645	806691030	/nfs/dbraw/zinc/69/10/30/806691030.db2.gz	CSNZOSKGMABGKR-HXUWFJFHSA-N	1	0	371.437	1.398	20	30		FDEDRO
C=CC[C@]1(C(=O)Nc2ccc(OC)c(OCC(=O)NC3CC3)c2)CCC[NH2+]1	ZINC000662479038	806725064	/nfs/dbraw/zinc/72/50/64/806725064.db2.gz	BNGDJFPCCQJBDG-HXUWFJFHSA-N	1	0	373.453	1.989	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCCCS(=O)(=O)Cc2ccccc2)CCC[NH2+]1	ZINC000662495726	806766239	/nfs/dbraw/zinc/76/62/39/806766239.db2.gz	PSXASYZPSOWQID-SFHVURJKSA-N	1	0	350.484	1.806	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2snnc2C)C1	ZINC001026850397	799992533	/nfs/dbraw/zinc/99/25/33/799992533.db2.gz	UQAAOJQIRKPJLH-ZNMIVQPWSA-N	1	0	350.488	1.766	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnc(CC)n2C)C1	ZINC001026851655	799999083	/nfs/dbraw/zinc/99/90/83/799999083.db2.gz	PAQZJCKJOVVYPQ-OAGGEKHMSA-N	1	0	361.490	1.297	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]21	ZINC000974687829	800074343	/nfs/dbraw/zinc/07/43/43/800074343.db2.gz	HRWUTKQDRSDVPO-VAMGGRTRSA-N	1	0	365.477	1.364	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)Cn4cncc4C)C[C@H]32)cc1	ZINC000974705707	800159351	/nfs/dbraw/zinc/15/93/51/800159351.db2.gz	KAKNDVBHBVWDOO-RTBURBONSA-N	1	0	362.433	1.546	20	30		FDEDRO
CC(C)(C(=O)N1C[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21)[NH+]1CCCC1	ZINC000974714628	800178281	/nfs/dbraw/zinc/17/82/81/800178281.db2.gz	NOIRCFHWIGYGON-RHSMWYFYSA-N	1	0	369.469	1.434	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@]4(C)C=CCC4)[C@@H]3C2)CC1	ZINC000974812488	800344783	/nfs/dbraw/zinc/34/47/83/800344783.db2.gz	JSPQKQBOQZTAHO-WOIUINJBSA-N	1	0	369.509	1.747	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC1=CCOCC1)C2	ZINC001112523801	800382663	/nfs/dbraw/zinc/38/26/63/800382663.db2.gz	QXBQAQYYKRECBD-PXNSSMCTSA-N	1	0	361.486	1.244	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]21	ZINC000974984310	800684205	/nfs/dbraw/zinc/68/42/05/800684205.db2.gz	CEKWSEDVPOKBOW-ZMSDIMECSA-N	1	0	360.502	1.858	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C4(C)CC=CC4)[C@@H]3C2)CC1	ZINC000975020260	800702500	/nfs/dbraw/zinc/70/25/00/800702500.db2.gz	ORCOSBIAOFOHMQ-RTBURBONSA-N	1	0	369.509	1.747	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cccc(C(N)=O)c2)C1	ZINC001027074701	800886076	/nfs/dbraw/zinc/88/60/76/800886076.db2.gz	FIGQQXVCYGJYKH-NXHRZFHOSA-N	1	0	357.454	1.315	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccnc(N(C)C)c2)C1	ZINC001027075465	800889440	/nfs/dbraw/zinc/88/94/40/800889440.db2.gz	SRRBWQRATIKYBN-KSZLIROESA-N	1	0	358.486	1.677	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnc(C3CC3)[nH]2)C1	ZINC001027116575	801009084	/nfs/dbraw/zinc/00/90/84/801009084.db2.gz	FMOPNXARHJLIRA-QRTARXTBSA-N	1	0	359.474	1.601	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)N2C[C@H]3CCN(C(=O)c4ccc(C#N)[nH]4)C[C@H]32)C1	ZINC000975214778	801011160	/nfs/dbraw/zinc/01/11/60/801011160.db2.gz	JKAGZKBOEDHSDK-RHSMWYFYSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ncnn2CCF)C1	ZINC001027117158	801014464	/nfs/dbraw/zinc/01/44/64/801014464.db2.gz	RUAVYPPRWDCXFC-VYDXJSESSA-N	1	0	365.453	1.167	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)C[N@H+]4CC[C@H](C)C4)[C@@H]3C2)cc1	ZINC000975228816	801028071	/nfs/dbraw/zinc/02/80/71/801028071.db2.gz	ZBOGBOHBLQDSQW-PWIZWCRZSA-N	1	0	365.477	1.683	20	30		FDEDRO
C#Cc1ccc(C(=O)NC2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)nc1	ZINC000980239853	806906939	/nfs/dbraw/zinc/90/69/39/806906939.db2.gz	IZPKLHLKNVTIME-AGERRDQYSA-N	1	0	368.481	1.560	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)CC[N@@H+]1C	ZINC000975639859	801813065	/nfs/dbraw/zinc/81/30/65/801813065.db2.gz	SVVJJSNBGZCCNS-VUNQQRPYSA-N	1	0	369.469	1.290	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]21	ZINC000975718528	802120282	/nfs/dbraw/zinc/12/02/82/802120282.db2.gz	IRVNCIBKCDDKOF-LNLFQRSKSA-N	1	0	370.497	1.689	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)[C@H]4C[C@@H]4C)[C@H]3C2)CC1	ZINC000975754199	802207685	/nfs/dbraw/zinc/20/76/85/802207685.db2.gz	FFDXXATXQKFUDN-CAMMJAKZSA-N	1	0	357.498	1.437	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)c4cnco4)C[C@@H]32)CC1	ZINC000975827925	802497983	/nfs/dbraw/zinc/49/79/83/802497983.db2.gz	ULVMULYYGDZUSA-RDJZCZTQSA-N	1	0	370.453	1.083	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1	ZINC001211663925	802569632	/nfs/dbraw/zinc/56/96/32/802569632.db2.gz	IJCOYWREEPKOBR-RCCFBDPRSA-N	1	0	369.465	1.732	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)[C@H](C)C#N)C[C@@H]32)CC1	ZINC000975974215	802764744	/nfs/dbraw/zinc/76/47/44/802764744.db2.gz	WLAMXKSBRGMQDE-RYRKJORJSA-N	1	0	360.502	1.716	20	30		FDEDRO
N#Cc1cc(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)ccc1F	ZINC000893425749	802812739	/nfs/dbraw/zinc/81/27/39/802812739.db2.gz	YTIXXYXGCSPWSG-UHFFFAOYSA-N	1	0	358.417	1.643	20	30		FDEDRO
C=CC[C@@]1(C(=O)N(C)CCN2CCN(c3ccccc3)CC2)CCC[NH2+]1	ZINC000662760587	803084851	/nfs/dbraw/zinc/08/48/51/803084851.db2.gz	XQBZGLBBUWLCIQ-NRFANRHFSA-N	1	0	356.514	1.965	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)C1	ZINC000976539344	803491231	/nfs/dbraw/zinc/49/12/31/803491231.db2.gz	OLYTWCFLNIZBMQ-HZPDHXFCSA-N	1	0	371.485	1.775	20	30		FDEDRO
CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1	ZINC000423059518	814948734	/nfs/dbraw/zinc/94/87/34/814948734.db2.gz	MGBUUHGWNDQCMN-SJJHQCBESA-N	1	0	358.442	1.526	20	30		FDEDRO
[NH2+]=C(NCCc1ccc2c[nH]nc2c1)N1CCN(c2ncccn2)CC1	ZINC000261881937	814958382	/nfs/dbraw/zinc/95/83/82/814958382.db2.gz	REKUXCKHFUTGMX-UHFFFAOYSA-N	1	0	350.430	1.032	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1	ZINC000423133722	814978486	/nfs/dbraw/zinc/97/84/86/814978486.db2.gz	WBFCQDACWQYZGO-FQEVSTJZSA-N	1	0	354.454	1.509	20	30		FDEDRO
C=CCN(Cc1ccccc1F)C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1	ZINC000423179128	814989906	/nfs/dbraw/zinc/98/99/06/814989906.db2.gz	HCOAEAMSLCAPTD-HXUWFJFHSA-N	1	0	359.445	1.942	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1	ZINC000423193644	814996996	/nfs/dbraw/zinc/99/69/96/814996996.db2.gz	XPZBZWSEEPVRLN-FHWLQOOXSA-N	1	0	355.482	1.830	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C23CC[NH+](CC2)C3)nc1	ZINC000976990846	804249203	/nfs/dbraw/zinc/24/92/03/804249203.db2.gz	DWLWPVREIZWQJK-IAGOWNOFSA-N	1	0	366.465	1.316	20	30		FDEDRO
N#Cc1ccc(F)c(CN2C[C@@H]3CCN(C(=O)c4cnsn4)[C@@H]3C2)c1	ZINC001075570731	804829270	/nfs/dbraw/zinc/82/92/70/804829270.db2.gz	VBTONMIAILFSDR-BLLLJJGKSA-N	1	0	357.414	1.895	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CCN1C(=O)C[N@H+](C)C1CCC1	ZINC000977806922	804971054	/nfs/dbraw/zinc/97/10/54/804971054.db2.gz	SODVSFMHRWBZAU-AOIWGVFYSA-N	1	0	363.502	1.511	20	30		FDEDRO
C[N@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001027579246	805107962	/nfs/dbraw/zinc/10/79/62/805107962.db2.gz	DMWCOGASWNNSSX-XHSDSOJGSA-N	1	0	358.417	1.242	20	30		FDEDRO
C[N@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001027579245	805108060	/nfs/dbraw/zinc/10/80/60/805108060.db2.gz	DMWCOGASWNNSSX-OAGGEKHMSA-N	1	0	358.417	1.242	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2	ZINC000978068164	805156096	/nfs/dbraw/zinc/15/60/96/805156096.db2.gz	LZYXVNQSJZNBOS-IKGGRYGDSA-N	1	0	361.486	1.123	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)CC[NH+]1CCCCC1	ZINC000978438800	805462841	/nfs/dbraw/zinc/46/28/41/805462841.db2.gz	UXQCFGSPTURRFU-KSZLIROESA-N	1	0	363.502	1.513	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@H]1c1ccccc1	ZINC001211679973	805511351	/nfs/dbraw/zinc/51/13/51/805511351.db2.gz	ABQUEJFFTSEJMJ-BHYGNILZSA-N	1	0	365.499	1.084	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccccc2SCC#N)CC1	ZINC000728880847	807133279	/nfs/dbraw/zinc/13/32/79/807133279.db2.gz	JAVMIOUMJRAIIR-UHFFFAOYSA-N	1	0	374.510	1.928	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C[C@@]1(C)C[NH3+]	ZINC000423530607	815102721	/nfs/dbraw/zinc/10/27/21/815102721.db2.gz	RKWJASFQBKKPMP-LNNXQNCSSA-N	1	0	368.481	1.728	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000981195746	807679942	/nfs/dbraw/zinc/67/99/42/807679942.db2.gz	ZSXCAEVAJZBQLT-UNQWWWNPSA-N	1	0	371.485	1.631	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1	ZINC000981379764	807982306	/nfs/dbraw/zinc/98/23/06/807982306.db2.gz	UHGHQIRRCSBEJT-GVDBMIGSSA-N	1	0	358.486	1.641	20	30		FDEDRO
CS(=O)(=O)N1CCN(c2cccc(N[C@H]3CC[C@H](C#N)CC3)[nH+]2)CC1	ZINC001167842081	808012128	/nfs/dbraw/zinc/01/21/28/808012128.db2.gz	DNOTWHQMCXNRDK-SHTZXODSSA-N	1	0	363.487	1.657	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)c1	ZINC000981412887	808028543	/nfs/dbraw/zinc/02/85/43/808028543.db2.gz	XSWJPJMPFWNDRW-IAOVAPTHSA-N	1	0	369.469	1.243	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC000981467427	808067086	/nfs/dbraw/zinc/06/70/86/808067086.db2.gz	YBVHIIFTOPZTPU-IWKCEXAMSA-N	1	0	368.481	1.418	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@H]3CC3(C)C)C2)CC1	ZINC000981544082	808113869	/nfs/dbraw/zinc/11/38/69/808113869.db2.gz	FBHSLSZYQOHNQK-CGTJXYLNSA-N	1	0	359.514	1.779	20	30		FDEDRO
C[NH+](C)CCN1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1	ZINC000279035112	808141887	/nfs/dbraw/zinc/14/18/87/808141887.db2.gz	WOEMGMGCTBLIPW-UHFFFAOYSA-N	1	0	353.426	1.533	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CCn1cncn1)C2	ZINC000981776596	808476497	/nfs/dbraw/zinc/47/64/97/808476497.db2.gz	RKPORKNITWSJSP-SJORKVTESA-N	1	0	359.474	1.184	20	30		FDEDRO
COc1ccc(C#N)cc1CN1C[C@@H]2CCN(C(=O)[C@@H]3CCOC3)[C@@H]2C1	ZINC001075600399	808485023	/nfs/dbraw/zinc/48/50/23/808485023.db2.gz	SQKXTRNRIUPKBG-LZLYRXPVSA-N	1	0	355.438	1.636	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)cn1	ZINC000981843570	808606057	/nfs/dbraw/zinc/60/60/57/808606057.db2.gz	LVOREOYQFGDTIL-IPELMVKDSA-N	1	0	368.481	1.562	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)cn1	ZINC000981843947	808608924	/nfs/dbraw/zinc/60/89/24/808608924.db2.gz	AWIIQCZHBFIOQB-TXPKVOOTSA-N	1	0	368.481	1.419	20	30		FDEDRO
CN(C)C(=[NH+]Cc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)N(C)C	ZINC000261890463	815224547	/nfs/dbraw/zinc/22/45/47/815224547.db2.gz	SYJCWWJLPWCQQX-IBGZPJMESA-N	1	0	357.458	1.891	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1	ZINC000504429034	815240374	/nfs/dbraw/zinc/24/03/74/815240374.db2.gz	ITMLKYWMWALJQZ-INIZCTEOSA-N	1	0	359.470	1.659	20	30		FDEDRO
Cn1nccc1C(=O)N1CC[C@H]2CN(Cc3ccc(C#N)cc3F)C[C@H]21	ZINC001075608750	808971762	/nfs/dbraw/zinc/97/17/62/808971762.db2.gz	GGZCQEBJFNYKJK-MAUKXSAKSA-N	1	0	353.401	1.777	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1	ZINC001087437525	808985730	/nfs/dbraw/zinc/98/57/30/808985730.db2.gz	WNBPUDWKMATSKZ-CRAIPNDOSA-N	1	0	352.438	1.888	20	30		FDEDRO
Cc1c(-c2cc(C[N@H+]3C[C@@H]4CCN(C(=O)[C@H](C)C#N)[C@@H]4C3)on2)cnn1C	ZINC001075621246	809184837	/nfs/dbraw/zinc/18/48/37/809184837.db2.gz	SYMVKEYRRVTMRQ-UVBSCNOISA-N	1	0	368.441	1.576	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCNC(=O)c2ccco2)C[C@H]1c1ccccc1	ZINC001211718152	809205358	/nfs/dbraw/zinc/20/53/58/809205358.db2.gz	CBTJDLNRWXMQOY-ZWKOTPCHSA-N	1	0	365.433	1.617	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1	ZINC000785386672	809206102	/nfs/dbraw/zinc/20/61/02/809206102.db2.gz	VGDRFHXOMPPLSU-OAHLLOKOSA-N	1	0	361.417	1.765	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CNC(=O)c2ccco2)C[C@H]1c1ccccc1	ZINC001211718603	809222321	/nfs/dbraw/zinc/22/23/21/809222321.db2.gz	WUHMQSGUYOZJOY-ZWKOTPCHSA-N	1	0	365.433	1.617	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1F	ZINC000418886436	809297001	/nfs/dbraw/zinc/29/70/01/809297001.db2.gz	LEBRVVFXAFZBSG-UHFFFAOYSA-N	1	0	358.417	1.306	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1c1ccccc1	ZINC001211723297	809315041	/nfs/dbraw/zinc/31/50/41/809315041.db2.gz	SJMRADZVPGSIIC-FUHWJXTLSA-N	1	0	352.438	1.888	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1	ZINC000418939610	809330741	/nfs/dbraw/zinc/33/07/41/809330741.db2.gz	RQAWUJFSOKXWTA-HYVNUMGLSA-N	1	0	357.454	1.372	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C	ZINC000419051086	809485167	/nfs/dbraw/zinc/48/51/67/809485167.db2.gz	APGGKJMVRSXUPY-USXIJHARSA-N	1	0	359.470	1.519	20	30		FDEDRO
C[NH2+]C1CCN(C(=O)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1	ZINC000419106138	809574058	/nfs/dbraw/zinc/57/40/58/809574058.db2.gz	CNYSUWVUPYOCBC-UHFFFAOYSA-N	1	0	367.371	1.384	20	30		FDEDRO
C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000419110765	809583843	/nfs/dbraw/zinc/58/38/43/809583843.db2.gz	ILVZKLBABCHMGF-WFASDCNBSA-N	1	0	367.371	1.287	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@@H](C)[NH2+]1	ZINC000419112335	809583915	/nfs/dbraw/zinc/58/39/15/809583915.db2.gz	JYQUGQCHDGNHFF-CHWSQXEVSA-N	1	0	367.371	1.382	20	30		FDEDRO
COc1ccc(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cc1C#N	ZINC000893778678	809714779	/nfs/dbraw/zinc/71/47/79/809714779.db2.gz	NHAQOUJTLGXPHS-IAGOWNOFSA-N	1	0	358.442	1.307	20	30		FDEDRO
COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)[C@H]([NH3+])CCCC#N	ZINC000424138781	815315742	/nfs/dbraw/zinc/31/57/42/815315742.db2.gz	UVYDFYHJHOGFML-OAHLLOKOSA-N	1	0	360.414	1.269	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC(=O)N(C)C2)C1	ZINC001087443810	809795074	/nfs/dbraw/zinc/79/50/74/809795074.db2.gz	GYUSVVZALSZHTM-XUVXKRRUSA-N	1	0	367.493	1.852	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1	ZINC000937385669	815318689	/nfs/dbraw/zinc/31/86/89/815318689.db2.gz	UISAXLYCTDLBFP-KSZLIROESA-N	1	0	363.502	1.369	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COC[C@H]2CCCO2)C[C@H]1c1ccccc1	ZINC001211738541	809932537	/nfs/dbraw/zinc/93/25/37/809932537.db2.gz	HPGPZPOKMRHPJD-HSALFYBXSA-N	1	0	356.466	1.790	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2nc3ncc(C)cn3n2)C[C@H]1C(F)(F)F	ZINC001112119274	809954684	/nfs/dbraw/zinc/95/46/84/809954684.db2.gz	MVWOQICSTKAPCI-VXGBXAGGSA-N	1	0	368.363	1.601	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1	ZINC000410908791	809955314	/nfs/dbraw/zinc/95/53/14/809955314.db2.gz	JINBCIMSLMULAK-SFHVURJKSA-N	1	0	365.518	1.762	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ccc(=O)[nH]n2)C1	ZINC001087452164	809975634	/nfs/dbraw/zinc/97/56/34/809975634.db2.gz	FNRJGHABMJZFOC-SJLPKXTDSA-N	1	0	368.412	1.933	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(CF)cc2)C[C@H]1OC	ZINC001212178003	810055453	/nfs/dbraw/zinc/05/54/53/810055453.db2.gz	FDOXCJNNBATAOD-LMMKCTJWSA-N	1	0	350.434	1.799	20	30		FDEDRO
C#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@]2(C)CCNC(=O)C2)C1	ZINC001087456474	810110828	/nfs/dbraw/zinc/11/08/28/810110828.db2.gz	ZFXJGPYJAMSXIC-DBXWQHBBSA-N	1	0	371.456	1.649	20	30		FDEDRO
N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1	ZINC000473477724	810134174	/nfs/dbraw/zinc/13/41/74/810134174.db2.gz	CKTCGTIUDPYRHV-CEXWTWQISA-N	1	0	366.465	1.792	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)CC1	ZINC000664019180	810172763	/nfs/dbraw/zinc/17/27/63/810172763.db2.gz	ICIXZCGNKYPHFT-IRXDYDNUSA-N	1	0	351.491	1.646	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[C@@H]2CCC(=O)N2)C1	ZINC001087458770	810287201	/nfs/dbraw/zinc/28/72/01/810287201.db2.gz	UIFKWMBZDSFOJO-RCCFBDPRSA-N	1	0	359.445	1.955	20	30		FDEDRO
N#CCCn1cc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)c(-c2ccncc2)n1	ZINC000433318956	810422549	/nfs/dbraw/zinc/42/25/49/810422549.db2.gz	POMLONNYDFVJOC-IBGZPJMESA-N	1	0	366.469	1.812	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@](CC)(C(=O)OC)c1ccccc1	ZINC000419353263	810600830	/nfs/dbraw/zinc/60/08/30/810600830.db2.gz	LELZDSQRASJXGZ-IFXJQAMLSA-N	1	0	361.442	1.497	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000982663463	810704346	/nfs/dbraw/zinc/70/43/46/810704346.db2.gz	VGOQIHIDTNKEMQ-UKPHBRMFSA-N	1	0	357.458	1.195	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3CN(CC(=O)Nc4ccccc4)C[C@H]32)c1	ZINC001075656917	810892239	/nfs/dbraw/zinc/89/22/39/810892239.db2.gz	IJNMFNVBROAFHB-MAUKXSAKSA-N	1	0	363.421	1.671	20	30		FDEDRO
CC(C)(C)N1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)C1=O	ZINC001075658736	810910143	/nfs/dbraw/zinc/91/01/43/810910143.db2.gz	QQSAPCSYGZXPDI-USXIJHARSA-N	1	0	369.469	1.432	20	30		FDEDRO
COc1cccc(CCC[N@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)c1	ZINC001083390520	811183047	/nfs/dbraw/zinc/18/30/47/811183047.db2.gz	UXPXGVXEIOJLHJ-MOPGFXCFSA-N	1	0	368.437	1.303	20	30		FDEDRO
CON=Cc1ccc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1	ZINC000729363893	811189491	/nfs/dbraw/zinc/18/94/91/811189491.db2.gz	QLYVTBAAQLEKSM-KRWDZBQOSA-N	1	0	360.458	1.339	20	30		FDEDRO
C[NH+]=C(NCc1cn2ccccc2n1)N1CCN([C@H](C)C(F)(F)F)CC1	ZINC000261673373	811296457	/nfs/dbraw/zinc/29/64/57/811296457.db2.gz	CCVLCSDYKHNSCN-CYBMUJFWSA-N	1	0	368.407	1.978	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N1CCN(c2ccccn2)CC1	ZINC000261680410	811296790	/nfs/dbraw/zinc/29/67/90/811296790.db2.gz	QHWRKAPSJOFTQS-CGTJXYLNSA-N	1	0	355.486	1.737	20	30		FDEDRO
C[NH+]=C(NC[C@H](C)c1c(C)noc1C)N1CCO[C@H](c2cnn(C)c2)C1	ZINC000261753278	811311494	/nfs/dbraw/zinc/31/14/94/811311494.db2.gz	MBLYRKHRRWSGLI-LRDDRELGSA-N	1	0	360.462	1.777	20	30		FDEDRO
C[NH+]=C(NCc1ccc(N(C)C)nc1)N1CC[C@@H](Oc2ccccn2)C1	ZINC000261970936	811357526	/nfs/dbraw/zinc/35/75/26/811357526.db2.gz	MTWLTNZHTDQCFK-MRXNPFEDSA-N	1	0	354.458	1.771	20	30		FDEDRO
C[NH+]=C(N[C@H]1C[C@@H]1Cc1ccccc1)N1CCN(c2ncccn2)CC1	ZINC000262422050	811464457	/nfs/dbraw/zinc/46/44/57/811464457.db2.gz	RAXBRLBYZLZFEZ-ROUUACIJSA-N	1	0	350.470	1.805	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCC2)N1CC[C@@H](c2ccc(OC)cc2)C1	ZINC000262450099	811469837	/nfs/dbraw/zinc/46/98/37/811469837.db2.gz	JPTNVBKAHLNHHE-OAHLLOKOSA-N	1	0	354.458	1.798	20	30		FDEDRO
[NH2+]=C(NCc1coc(-c2ccccc2)n1)N1CCN(c2ncccn2)CC1	ZINC000262540340	811488289	/nfs/dbraw/zinc/48/82/89/811488289.db2.gz	RPMPCIIHBFRLCJ-UHFFFAOYSA-N	1	0	363.425	1.769	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCN(C5CCC5)C4=O)C[C@H]32)[nH]1	ZINC001075700407	815454970	/nfs/dbraw/zinc/45/49/70/815454970.db2.gz	OZXCJTPWHARSMZ-MORSLUCNSA-N	1	0	367.453	1.186	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N1CCN(c2ccccc2)CC1	ZINC000262750503	811545930	/nfs/dbraw/zinc/54/59/30/811545930.db2.gz	BRDUYNCQUSWPEJ-QGZVFWFLSA-N	1	0	367.501	1.547	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCC2)N[C@H]1CCN(c2cccc(OC)c2)C1	ZINC000262789416	811552294	/nfs/dbraw/zinc/55/22/94/811552294.db2.gz	MUJAYWLSRSAHNP-AWEZNQCLSA-N	1	0	369.473	1.177	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)n1	ZINC000280078850	811715165	/nfs/dbraw/zinc/71/51/65/811715165.db2.gz	RDAWAFXQKBSJTA-QGZVFWFLSA-N	1	0	361.490	1.549	20	30		FDEDRO
N#Cc1ccc(C[C@H](C#N)C(=O)N2CC[NH+](C3CCOCC3)CC2)cc1	ZINC000280279616	811769965	/nfs/dbraw/zinc/76/99/65/811769965.db2.gz	DMZZTNPHLWKWCN-GOSISDBHSA-N	1	0	352.438	1.564	20	30		FDEDRO
C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@@H](CC(N)=O)c1ccccc1	ZINC000280548647	811857782	/nfs/dbraw/zinc/85/77/82/811857782.db2.gz	QFYVBTIKZYZMJG-HKUYNNGSSA-N	1	0	353.422	1.846	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1	ZINC000982898727	811905892	/nfs/dbraw/zinc/90/58/92/811905892.db2.gz	VISOQBBAKHSYRE-AYBZRNKSSA-N	1	0	363.502	1.417	20	30		FDEDRO
CNc1nc(C)cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1	ZINC000280755451	811918355	/nfs/dbraw/zinc/91/83/55/811918355.db2.gz	AKRMWQOIUQQFLN-UHFFFAOYSA-N	1	0	352.442	1.902	20	30		FDEDRO
C[NH+]=C(NCCC1=CCCCC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1	ZINC000261809678	812051550	/nfs/dbraw/zinc/05/15/50/812051550.db2.gz	SIKACJSKWRXPGV-LJQANCHMSA-N	1	0	361.490	1.762	20	30		FDEDRO
[NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)C(=O)NCC#Cc1cccc(F)c1	ZINC000419680000	812088541	/nfs/dbraw/zinc/08/85/41/812088541.db2.gz	RKDKJXMTGKXNMY-BXXOZEPKSA-N	1	0	357.429	1.316	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]C3)CC2)cc1	ZINC000419852292	812250975	/nfs/dbraw/zinc/25/09/75/812250975.db2.gz	CMJGOQNNILRCHD-INIZCTEOSA-N	1	0	352.438	1.290	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1	ZINC000419869620	812266216	/nfs/dbraw/zinc/26/62/16/812266216.db2.gz	WLYNIFGCFASEBM-NXHRZFHOSA-N	1	0	354.454	1.401	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)CC(F)F)C[C@H]1C(F)(F)F	ZINC001112133491	815519341	/nfs/dbraw/zinc/51/93/41/815519341.db2.gz	NSUFGBPUCUOVRS-IJLUTSLNSA-N	1	0	356.335	1.906	20	30		FDEDRO
CCCC[N@H+](C)CCNC(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000514026089	815571148	/nfs/dbraw/zinc/57/11/48/815571148.db2.gz	CPRUCGFSITYXIY-MGPUTAFESA-N	1	0	369.469	1.773	20	30		FDEDRO
C#CCN(C(=O)NCc1ncc(C(=O)OC)s1)C1CC[NH+](C)CC1	ZINC000924977958	815573025	/nfs/dbraw/zinc/57/30/25/815573025.db2.gz	HFHKERARCOKWAY-UHFFFAOYSA-N	1	0	350.444	1.169	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)N[C@H]3CCC[C@@H]3C[NH3+])CC2)cc1	ZINC000420029856	813402711	/nfs/dbraw/zinc/40/27/11/813402711.db2.gz	DKEZIKUXDUITTC-MSOLQXFVSA-N	1	0	352.438	1.418	20	30		FDEDRO
C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000420102100	813457700	/nfs/dbraw/zinc/45/77/00/813457700.db2.gz	NEKUKGDKVNHPHS-KBXCAEBGSA-N	1	0	370.453	1.042	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1	ZINC000420108713	813464455	/nfs/dbraw/zinc/46/44/55/813464455.db2.gz	YNLQWFXHAZKAEC-YOEHRIQHSA-N	1	0	365.424	1.951	20	30		FDEDRO
CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000420123862	813485399	/nfs/dbraw/zinc/48/53/99/813485399.db2.gz	NYZYDTOPSQONTM-MRXNPFEDSA-N	1	0	372.469	1.562	20	30		FDEDRO
CC1(CNC(=O)C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)CC[NH2+]CC1	ZINC000420130362	813491416	/nfs/dbraw/zinc/49/14/16/813491416.db2.gz	WXIVDXBRMGFWRP-MSOLQXFVSA-N	1	0	368.481	1.791	20	30		FDEDRO
C[C@H]([NH2+]CC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C)C(=O)N1CCCCC1	ZINC001104174274	813716929	/nfs/dbraw/zinc/71/69/29/813716929.db2.gz	LLGCXBYMWMIWBB-ZIFCJYIRSA-N	1	0	359.514	1.875	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000982985567	813745108	/nfs/dbraw/zinc/74/51/08/813745108.db2.gz	USUDOWXFPNNNIB-OLMNPRSZSA-N	1	0	368.437	1.504	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)NCC2=CC[N@H+](C)CC2)c(C#N)cn1CC	ZINC000421170727	813977840	/nfs/dbraw/zinc/97/78/40/813977840.db2.gz	FBHJUYSVTJGOQA-UHFFFAOYSA-N	1	0	359.430	1.940	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(F)cc1)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261837997	814091004	/nfs/dbraw/zinc/09/10/04/814091004.db2.gz	VYBBMJRWLUTNSG-UHFFFAOYSA-N	1	0	358.421	1.374	20	30		FDEDRO
CC[NH+]=C(NCCC1=CCCC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1	ZINC000261838596	814096013	/nfs/dbraw/zinc/09/60/13/814096013.db2.gz	WISPYGIZJIXROE-IBGZPJMESA-N	1	0	361.490	1.762	20	30		FDEDRO
N#Cc1cccc(CCNC(=O)N2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)c1	ZINC000366978741	814201966	/nfs/dbraw/zinc/20/19/66/814201966.db2.gz	BHKQIMAFBXUZDP-RBUKOAKNSA-N	1	0	356.470	1.731	20	30		FDEDRO
C[C@@H]1CN(CC(=O)NCc2ccc(C#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000367031048	814259223	/nfs/dbraw/zinc/25/92/23/814259223.db2.gz	TZWWEEZGCBPIAD-XLIONFOSSA-N	1	0	369.513	1.132	20	30		FDEDRO
C[C@H]1CN(CC(=O)NCc2ccc(C#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000367031047	814259640	/nfs/dbraw/zinc/25/96/40/814259640.db2.gz	TZWWEEZGCBPIAD-PXNSSMCTSA-N	1	0	369.513	1.132	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@@H](C)C[C@H](CO)C1)C(C)C	ZINC000421741369	814288261	/nfs/dbraw/zinc/28/82/61/814288261.db2.gz	OLWUMACPTPBKKR-OKZBNKHCSA-N	1	0	365.518	1.278	20	30		FDEDRO
Cc1cc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)nn1CCC#N	ZINC000272145258	814581484	/nfs/dbraw/zinc/58/14/84/814581484.db2.gz	XAIJDUCVRFBHSP-INIZCTEOSA-N	1	0	361.494	1.499	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cccc(OCCCC#N)c3)[C@H]2C1	ZINC000272346033	814665048	/nfs/dbraw/zinc/66/50/48/814665048.db2.gz	PVGBJHJSUBXCSW-YJBOKZPZSA-N	1	0	370.453	1.860	20	30		FDEDRO
CN(C(=[NH2+])NCc1ccccc1OCC(=O)NC[C@H]1CCCO1)C1CC1	ZINC000273339575	814793021	/nfs/dbraw/zinc/79/30/21/814793021.db2.gz	MHEAWIVTASKKOM-MRXNPFEDSA-N	1	0	360.458	1.270	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21	ZINC000422529538	814826963	/nfs/dbraw/zinc/82/69/63/814826963.db2.gz	PEZFSJOLORDTLD-QRVBRYPASA-N	1	0	355.482	1.843	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000983314615	815678830	/nfs/dbraw/zinc/67/88/30/815678830.db2.gz	ACXLMHMWRHWJKZ-OLMNPRSZSA-N	1	0	368.437	1.504	20	30		FDEDRO
C#CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1	ZINC001087465752	815793192	/nfs/dbraw/zinc/79/31/92/815793192.db2.gz	HEJAXEXNLNEUCD-CGTJXYLNSA-N	1	0	357.429	1.259	20	30		FDEDRO
N#Cc1cccc([N+](=O)[O-])c1N1CCCN(CC(=O)N2CCCC2)CC1	ZINC000425201528	815796060	/nfs/dbraw/zinc/79/60/60/815796060.db2.gz	BBLRCOMBJAHGOK-UHFFFAOYSA-N	1	0	357.414	1.601	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cccc(C(=O)NC)c2)C1	ZINC001028812974	815818440	/nfs/dbraw/zinc/81/84/40/815818440.db2.gz	QXXUBBJFUCXPNS-QRQLOZEOSA-N	1	0	371.481	1.575	20	30		FDEDRO
C=CCN(C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H](C)COC	ZINC000664475408	815940963	/nfs/dbraw/zinc/94/09/63/815940963.db2.gz	QENKOTADBHWZOC-JQHSSLGASA-N	1	0	353.507	1.987	20	30		FDEDRO
CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]C[C@H]1CNc2c(C#N)cnn2C1	ZINC000514863215	816018248	/nfs/dbraw/zinc/01/82/48/816018248.db2.gz	PNZDTOHLWARALZ-BPUTZDHNSA-N	1	0	355.446	1.523	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2cnccc2C#N)CC1	ZINC000514902997	816028815	/nfs/dbraw/zinc/02/88/15/816028815.db2.gz	AMHUGFDSDZOJKV-QGZVFWFLSA-N	1	0	356.474	1.659	20	30		FDEDRO
C=CCOC[C@@H](NC(=O)[C@H]1CCCN1Cc1ccc(F)cc1)C(=O)OC	ZINC000435933163	816253575	/nfs/dbraw/zinc/25/35/75/816253575.db2.gz	BNEUJCNZWYQIME-IAGOWNOFSA-N	1	0	364.417	1.651	20	30		FDEDRO
C=CCOC[C@H](NC(=O)c1oc2ccccc2c1C[NH+](C)C)C(=O)OC	ZINC000435950865	816259184	/nfs/dbraw/zinc/25/91/84/816259184.db2.gz	SZAUIFAMACTCNY-HNNXBMFYSA-N	1	0	360.410	1.968	20	30		FDEDRO
C=CCn1cc(CNC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)nn1	ZINC000425499945	816381786	/nfs/dbraw/zinc/38/17/86/816381786.db2.gz	CHLHDOOAMGOIAL-YJBOKZPZSA-N	1	0	354.458	1.784	20	30		FDEDRO
C[N@H+](CCCN1C(=O)c2ccccc2C1=O)CC(=O)N[C@](C)(C#N)C1CC1	ZINC000425550220	816521379	/nfs/dbraw/zinc/52/13/79/816521379.db2.gz	WGDCKJXYLMKDDP-HXUWFJFHSA-N	1	0	368.437	1.413	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)[C@@H]1CCC[C@H]1O	ZINC000286746748	816551193	/nfs/dbraw/zinc/55/11/93/816551193.db2.gz	YMNGKZMGTVCVIH-GUDVDZBRSA-N	1	0	374.460	1.380	20	30		FDEDRO
C[N@H+](CCNC(=O)C(=O)Nc1ccc(C#N)c(F)c1)Cc1ccccc1	ZINC000516820772	817037783	/nfs/dbraw/zinc/03/77/83/817037783.db2.gz	RLFZHOGKMRHFBM-UHFFFAOYSA-N	1	0	354.385	1.884	20	30		FDEDRO
C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1	ZINC000437403896	817071883	/nfs/dbraw/zinc/07/18/83/817071883.db2.gz	ADOWTTZHHVHPNV-ZDUSSCGKSA-N	1	0	359.430	1.133	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(C#N)n2)C[N@@H+]1Cc1ccccc1	ZINC000516969409	817136738	/nfs/dbraw/zinc/13/67/38/817136738.db2.gz	CUUXXTKQJOCSHG-RHSMWYFYSA-N	1	0	363.421	1.671	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1	ZINC000425875343	817267640	/nfs/dbraw/zinc/26/76/40/817267640.db2.gz	SVYPOMOBQKGEAH-JKSUJKDBSA-N	1	0	356.470	1.926	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C	ZINC000425878233	817280950	/nfs/dbraw/zinc/28/09/50/817280950.db2.gz	YEKKSMLSPXKPOH-KSZLIROESA-N	1	0	359.470	1.421	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000425888252	817319391	/nfs/dbraw/zinc/31/93/91/817319391.db2.gz	SWYLEUQQDKUSRX-FHWLQOOXSA-N	1	0	371.481	1.332	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H]2CN(Cc3noc(CC)n3)C[C@H]2C1	ZINC000366697190	817586801	/nfs/dbraw/zinc/58/68/01/817586801.db2.gz	PTNSGPDUTXRZPA-IYBDPMFKSA-N	1	0	359.474	1.196	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c([N+](=O)[O-])c1	ZINC000517942438	817643968	/nfs/dbraw/zinc/64/39/68/817643968.db2.gz	JDYJNLQAJCWLTR-MRXNPFEDSA-N	1	0	358.398	1.537	20	30		FDEDRO
C[NH+]=C(NCc1ccc(OC)c(O)c1)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000261966931	817826167	/nfs/dbraw/zinc/82/61/67/817826167.db2.gz	PYQDVIAIYXYLMV-UHFFFAOYSA-N	1	0	362.474	1.807	20	30		FDEDRO
Cc1nnc(CC(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)o1	ZINC001075761926	818078633	/nfs/dbraw/zinc/07/86/33/818078633.db2.gz	GSJYJPDNZLKGNM-DLBZAZTESA-N	1	0	351.410	1.525	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CCNC2=O)C1	ZINC001087475179	818299707	/nfs/dbraw/zinc/29/97/07/818299707.db2.gz	UVCDRAWRMUMRSW-FHWLQOOXSA-N	1	0	371.481	1.682	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CCN(C)C2=O)C1	ZINC001087475715	818333857	/nfs/dbraw/zinc/33/38/57/818333857.db2.gz	YFKZWILQQJUNBE-OTWHNJEPSA-N	1	0	371.481	1.634	20	30		FDEDRO
COC(=O)[C@H]1[C@@H](CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1(F)F	ZINC000894764435	818424627	/nfs/dbraw/zinc/42/46/27/818424627.db2.gz	UHZBWQYDQBWJDX-HZPDHXFCSA-N	1	0	351.397	1.976	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)C1=O	ZINC000983719831	818702644	/nfs/dbraw/zinc/70/26/44/818702644.db2.gz	OHCYLGRJBIHQBY-RPVYPSMYSA-N	1	0	357.498	1.860	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCc1cccc(C#N)c1	ZINC000507472027	818781149	/nfs/dbraw/zinc/78/11/49/818781149.db2.gz	PZLQTEXGVNNTMP-SFHVURJKSA-N	1	0	371.485	1.343	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]Cc2cnnn2CC)CC1	ZINC001029146852	818935009	/nfs/dbraw/zinc/93/50/09/818935009.db2.gz	WNSHGVVDKNFMEO-QGTPRVQTSA-N	1	0	361.490	1.606	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C[C@@H]1[NH+](C)C	ZINC000473878609	818954280	/nfs/dbraw/zinc/95/42/80/818954280.db2.gz	SSMAJUFCCZDSLW-JLSDUUJJSA-N	1	0	354.454	1.458	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C(C)C)CCO2)C[C@H]1C(F)(F)F	ZINC001112151914	819223519	/nfs/dbraw/zinc/22/35/19/819223519.db2.gz	AUBAAPCWDJZIFT-RBSFLKMASA-N	1	0	361.408	1.098	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)CC1	ZINC000520246371	819274973	/nfs/dbraw/zinc/27/49/73/819274973.db2.gz	DDOQPKLSZOPGAC-UHFFFAOYSA-N	1	0	367.453	1.507	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	ZINC000520376710	819328257	/nfs/dbraw/zinc/32/82/57/819328257.db2.gz	MJEPGLXFJUXEBB-QGZVFWFLSA-N	1	0	365.437	1.721	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC1	ZINC000441395784	819338678	/nfs/dbraw/zinc/33/86/78/819338678.db2.gz	PPDFBVSFBHATOY-UHFFFAOYSA-N	1	0	355.442	1.887	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+][C@H]1CCN(C(C)C)C1=O	ZINC001167992081	819405919	/nfs/dbraw/zinc/40/59/19/819405919.db2.gz	RJRMIVSRBIHNCI-ULQDDVLXSA-N	1	0	351.491	1.463	20	30		FDEDRO
Cn1cc([C@@H]2CN(CC(=O)N[C@H]3CCOc4ccccc43)C[C@H]2CO)cn1	ZINC000328609653	819517647	/nfs/dbraw/zinc/51/76/47/819517647.db2.gz	MYOSBTJIAYXYFY-SZMVWBNQSA-N	1	0	370.453	1.908	20	30		FDEDRO
COCc1cc(NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)ncn1	ZINC000328597378	819529478	/nfs/dbraw/zinc/52/94/78/819529478.db2.gz	AERGOUODPALSRO-UHFFFAOYSA-N	1	0	362.478	1.508	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CCO[C@H]3C3CC3)cn2)CC1	ZINC000328899263	819580402	/nfs/dbraw/zinc/58/04/02/819580402.db2.gz	YUBYJLFQCPDXLE-MJGOQNOKSA-N	1	0	373.501	1.795	20	30		FDEDRO
O=C(CN1CCN(C(=O)c2ccccn2)CC1)NC1CC[NH+](C2CC2)CC1	ZINC000328908223	819590997	/nfs/dbraw/zinc/59/09/97/819590997.db2.gz	LZYYXKLLUQTKSM-UHFFFAOYSA-N	1	0	371.485	1.423	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCc4n[nH]nc4C3)cn2)CC1	ZINC000328969840	819601894	/nfs/dbraw/zinc/60/18/94/819601894.db2.gz	UOJAZDKCCMWXAS-HNNXBMFYSA-N	1	0	369.473	1.603	20	30		FDEDRO
COc1cccc([C@H](O)C[N@@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)c1	ZINC001075780159	819617145	/nfs/dbraw/zinc/61/71/45/819617145.db2.gz	FAUQTGIRRIQGDL-DFQSSKMNSA-N	1	0	354.450	1.675	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1	ZINC000983809701	819618870	/nfs/dbraw/zinc/61/88/70/819618870.db2.gz	WIOZSXNQZMGLSJ-KBMXLJTQSA-N	1	0	357.458	1.195	20	30		FDEDRO
Cc1cccc(NC(=O)NCC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c1	ZINC000331274141	819672263	/nfs/dbraw/zinc/67/22/63/819672263.db2.gz	HTDNBSJFNMURLR-HNNXBMFYSA-N	1	0	362.474	1.625	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O	ZINC000331233892	819673740	/nfs/dbraw/zinc/67/37/40/819673740.db2.gz	SCQQCWADMYCKMF-CQSZACIVSA-N	1	0	364.446	1.828	20	30		FDEDRO
C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC[N@@H+]1C	ZINC000331280557	819673850	/nfs/dbraw/zinc/67/38/50/819673850.db2.gz	FIAFJTVGWXYQSL-YOEHRIQHSA-N	1	0	374.485	1.846	20	30		FDEDRO
C=CCn1cc(-c2nc(-c3cc(N4CC[NH+](C)CC4)ccn3)no2)nn1	ZINC000351344653	819994154	/nfs/dbraw/zinc/99/41/54/819994154.db2.gz	BTNLIHAKSWGCKM-UHFFFAOYSA-N	1	0	352.402	1.328	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)s1	ZINC001075798545	820436239	/nfs/dbraw/zinc/43/62/39/820436239.db2.gz	FNSXBMDROQKRKI-KFKAGJAMSA-N	1	0	370.522	1.994	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2nccnc2N)CCN1Cc1ccccc1C#N	ZINC001087524823	820470395	/nfs/dbraw/zinc/47/03/95/820470395.db2.gz	OSKRVHZBUAHEEP-JKSUJKDBSA-N	1	0	350.426	1.713	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C	ZINC000984037931	820630914	/nfs/dbraw/zinc/63/09/14/820630914.db2.gz	OIGFKVLMUMABMM-KFWWJZLASA-N	1	0	357.458	1.664	20	30		FDEDRO
CC(C)C[N@H+](CC(=O)NCC(=O)N1CCCC1)Cc1ccc(C#N)cc1	ZINC000521196477	821148108	/nfs/dbraw/zinc/14/81/08/821148108.db2.gz	JEUUIGRENSCHSL-UHFFFAOYSA-N	1	0	356.470	1.755	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+][C@@H]2CCCN(O)C2=O)C1	ZINC000895163832	821264675	/nfs/dbraw/zinc/26/46/75/821264675.db2.gz	ZQTRNBHKSLNFBA-CKEIUWERSA-N	1	0	371.437	1.954	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2COCCN2C)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087547283	821284716	/nfs/dbraw/zinc/28/47/16/821284716.db2.gz	BSNPCJPLMNRYMU-GVDBMIGSSA-N	1	0	362.499	1.419	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1CC(=O)N1CCCCCC1	ZINC001087548868	821302239	/nfs/dbraw/zinc/30/22/39/821302239.db2.gz	SJCNBMWWDGBTCA-ZWKOTPCHSA-N	1	0	371.485	1.872	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C[C@@H]1CCNC(=O)CC1	ZINC001087548918	821302953	/nfs/dbraw/zinc/30/29/53/821302953.db2.gz	VOGHILCQWQOPAA-RRQGHBQHSA-N	1	0	357.458	1.385	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1CCc1cnn(CC)c1	ZINC001087548997	821311624	/nfs/dbraw/zinc/31/16/24/821311624.db2.gz	ZXTUFRWOXFDIJF-ZWKOTPCHSA-N	1	0	354.458	1.928	20	30		FDEDRO
C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1ccc(C#N)c(O)c1	ZINC000442981804	821345660	/nfs/dbraw/zinc/34/56/60/821345660.db2.gz	VTFCJMWJHAQFMF-OAHLLOKOSA-N	1	0	365.437	1.599	20	30		FDEDRO
N#Cc1nccc(NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)n1	ZINC000521973126	821422827	/nfs/dbraw/zinc/42/28/27/821422827.db2.gz	OTUQPERGZKEZSN-INIZCTEOSA-N	1	0	350.426	1.080	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3nn(C)cc3C)[C@H]2CC)C1=O	ZINC001087569114	821537159	/nfs/dbraw/zinc/53/71/59/821537159.db2.gz	DJGVBUHOPUMICU-XHSDSOJGSA-N	1	0	359.474	1.098	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCN2CCCC2=O)[C@@H]1CC	ZINC001087576475	821581259	/nfs/dbraw/zinc/58/12/59/821581259.db2.gz	KBFKPZHNODYCOG-XDNAFOTISA-N	1	0	363.502	1.559	20	30		FDEDRO
CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)[C@H]1CC	ZINC001087607808	821718963	/nfs/dbraw/zinc/71/89/63/821718963.db2.gz	YQILWPPIPMXBNX-XMTFNYHQSA-N	1	0	358.486	1.880	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCNC2=O)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087609950	821729505	/nfs/dbraw/zinc/72/95/05/821729505.db2.gz	KUIJFSRBPSJXTO-CEXWTWQISA-N	1	0	353.466	1.533	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCN3CCNC3=O)[C@@H]2CC)cc1	ZINC001087681567	822012375	/nfs/dbraw/zinc/01/23/75/822012375.db2.gz	DNALBFNVEGOOMI-ZWKOTPCHSA-N	1	0	354.454	1.276	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](C)O[C@@H](C)[C@H]3C)CC2)o1	ZINC000446061936	828413876	/nfs/dbraw/zinc/41/38/76/828413876.db2.gz	MVFYIXPDOZHDSO-MJBXVCDLSA-N	1	0	361.446	1.001	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCn2cncn2)[C@@H]1CC	ZINC001087755663	822359068	/nfs/dbraw/zinc/35/90/68/822359068.db2.gz	AGXVJEKSJVVODS-FJIDUMEYSA-N	1	0	361.490	1.619	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](CCc3ccnn3C)[C@@H]2CC)nn1	ZINC001087756470	822379041	/nfs/dbraw/zinc/37/90/41/822379041.db2.gz	RYENMVIFZACJLP-FUHWJXTLSA-N	1	0	371.489	1.413	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)C1=O	ZINC000984347175	822418521	/nfs/dbraw/zinc/41/85/21/822418521.db2.gz	HFEWLSTVTUCUDN-UXJCHEOYSA-N	1	0	361.486	1.073	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCN(CC=C)C3=O)[C@@H]2CC)cn1	ZINC001087801172	822460759	/nfs/dbraw/zinc/46/07/59/822460759.db2.gz	AQGWZBLUEAPUTI-OTWHNJEPSA-N	1	0	366.465	1.433	20	30		FDEDRO
CN(C)C(=O)CN(CC[NH+](C)C)Cc1cc(C#N)ccc1Br	ZINC000895365591	822540419	/nfs/dbraw/zinc/54/04/19/822540419.db2.gz	FPVZSKPHNRYTOV-UHFFFAOYSA-N	1	0	367.291	1.773	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3nccc(C)n3)[C@@H]2CC)CC1	ZINC001087840143	822559020	/nfs/dbraw/zinc/55/90/20/822559020.db2.gz	JQBRIIDBYLNRCV-RBUKOAKNSA-N	1	0	369.513	1.599	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H](C)N2CCOCC2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087851676	822603398	/nfs/dbraw/zinc/60/33/98/822603398.db2.gz	KACJCLORJSYYLS-SESVDKBCSA-N	1	0	369.509	1.728	20	30		FDEDRO
N#Cc1ccc(CN2CCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)cc1	ZINC000895526084	822637974	/nfs/dbraw/zinc/63/79/74/822637974.db2.gz	HEQKDGPTGLZWQJ-MSOLQXFVSA-N	1	0	354.454	1.494	20	30		FDEDRO
C[C@@]1(C#N)CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCO1	ZINC000895595193	822667423	/nfs/dbraw/zinc/66/74/23/822667423.db2.gz	XEJJLSOUUOMNLW-HXUWFJFHSA-N	1	0	367.453	1.847	20	30		FDEDRO
CC(C)(C)OCCC[NH+]1CCN(Cc2cnc3c(C#N)cnn3c2)CC1	ZINC000895645319	822686612	/nfs/dbraw/zinc/68/66/12/822686612.db2.gz	OXOXNPZZIKPWTQ-UHFFFAOYSA-N	1	0	356.474	1.924	20	30		FDEDRO
C#C[C@@H](NC(=O)NCC[NH+]1CCC(O)CC1)c1ccc(Cl)cc1F	ZINC000895691828	822700062	/nfs/dbraw/zinc/70/00/62/822700062.db2.gz	IYYAVZCUDYVKRV-MRXNPFEDSA-N	1	0	353.825	1.909	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cc(C)no4)C[C@@H]3C2)C1=O	ZINC001087882282	822704512	/nfs/dbraw/zinc/70/45/12/822704512.db2.gz	LFIOLFLCTHZQCP-OWCLPIDISA-N	1	0	358.442	1.164	20	30		FDEDRO
O=C(c1cnsn1)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001087895395	822748715	/nfs/dbraw/zinc/74/87/15/822748715.db2.gz	FFMORSOSZUHNEK-SJORKVTESA-N	1	0	352.463	1.984	20	30		FDEDRO
C[NH+]=C(NCCNc1cnccn1)N1CCN(c2ccc(F)cc2)CC1	ZINC000262572815	828516259	/nfs/dbraw/zinc/51/62/59/828516259.db2.gz	NINKFPCVTVRRBR-UHFFFAOYSA-N	1	0	357.437	1.425	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](n2cc(C[NH2+]CCCF)nn2)C1	ZINC001098728983	828574559	/nfs/dbraw/zinc/57/45/59/828574559.db2.gz	XUKVDSXJRAGDBD-OAGGEKHMSA-N	1	0	351.426	1.092	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001059401434	823891037	/nfs/dbraw/zinc/89/10/37/823891037.db2.gz	SRUJXPOXOCFAMC-KZNAEPCWSA-N	1	0	365.518	1.664	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)[C@H]([NH2+]C(C)C)c2ccc(OC)cc2)CC1	ZINC000896000970	823909059	/nfs/dbraw/zinc/90/90/59/823909059.db2.gz	SNHMHMIITBKMKX-LJQANCHMSA-N	1	0	371.481	1.722	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1	ZINC001088329708	828586525	/nfs/dbraw/zinc/58/65/25/828586525.db2.gz	FJOYDDSSJNNLSH-ZHALLVOQSA-N	1	0	358.486	1.975	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)COCCCOC)C[C@H]1C(F)(F)F	ZINC001112191049	828592069	/nfs/dbraw/zinc/59/20/69/828592069.db2.gz	FTQZPUAODCOHTR-ZIAGYGMSSA-N	1	0	352.397	1.985	20	30		FDEDRO
CN1CCOC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001087940613	824036804	/nfs/dbraw/zinc/03/68/04/824036804.db2.gz	PPQAJOYVVAYZOD-HKBOAZHASA-N	1	0	367.493	1.149	20	30		FDEDRO
Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]3C2)n1	ZINC001087940870	824038631	/nfs/dbraw/zinc/03/86/31/824038631.db2.gz	ZXTORICGFIQDMQ-WBVHZDCISA-N	1	0	367.457	1.189	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCCc2ccsc2)C[C@H]1NC(=O)CSCC#N	ZINC001211886360	824096537	/nfs/dbraw/zinc/09/65/37/824096537.db2.gz	IIKLZOLTWXGUDU-HUUCEWRRSA-N	1	0	353.513	1.753	20	30		FDEDRO
Cn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(F)c(C#N)c4)CC[C@@H]3C2)nn1	ZINC001087956592	824146506	/nfs/dbraw/zinc/14/65/06/824146506.db2.gz	WUHTWCLSCMDXJZ-ZBFHGGJFSA-N	1	0	368.416	1.420	20	30		FDEDRO
C[NH+]=C(NCc1ccn(-c2ccccc2)n1)N1CCC(C(=O)OC)CC1	ZINC000262584283	828622884	/nfs/dbraw/zinc/62/28/84/828622884.db2.gz	RWBMTEAGOCMPIJ-UHFFFAOYSA-N	1	0	355.442	1.833	20	30		FDEDRO
C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1	ZINC001087961856	824182870	/nfs/dbraw/zinc/18/28/70/824182870.db2.gz	MLJXPVHVLMSBRL-SXLOBPIMSA-N	1	0	371.525	1.827	20	30		FDEDRO
C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1	ZINC001087961996	824183214	/nfs/dbraw/zinc/18/32/14/824183214.db2.gz	SWYZSEIERQBXEI-RLLQIKCJSA-N	1	0	371.525	1.971	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H]3C[N@@H+](CC#Cc4ccccc4)CC[C@@H]3C2)[nH]1	ZINC001087959554	824188504	/nfs/dbraw/zinc/18/85/04/824188504.db2.gz	BWKOHAPWBROMHU-MOPGFXCFSA-N	1	0	363.465	1.488	20	30		FDEDRO
Cc1c(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)cnn1CCC#N	ZINC000896299946	824286930	/nfs/dbraw/zinc/28/69/30/824286930.db2.gz	BTAUYOZRAHMBSZ-UHFFFAOYSA-N	1	0	359.474	1.870	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)C[C@@H]2C1	ZINC001087977582	824326677	/nfs/dbraw/zinc/32/66/77/824326677.db2.gz	NNTPFTFKOWECJA-QRVBRYPASA-N	1	0	357.498	1.439	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@H]2CCO[C@@H]2c2nccn2C)C1	ZINC000329064292	824552992	/nfs/dbraw/zinc/55/29/92/824552992.db2.gz	VRSBCTBTINQKHM-JYJNAYRXSA-N	1	0	365.478	1.111	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N[C@@H]1CCO[C@@]2(CCOC2)C1	ZINC000329117503	824601941	/nfs/dbraw/zinc/60/19/41/824601941.db2.gz	NXZGTZUEEIXKPA-VXNCWWDNSA-N	1	0	367.490	1.206	20	30		FDEDRO
CN1C(=O)N[C@@H]2CN(C(=O)N[C@@H]3CCc4nc(C(C)(C)C)cn4C3)CC[C@@H]21	ZINC000329128601	824613293	/nfs/dbraw/zinc/61/32/93/824613293.db2.gz	NLYWUNLZBQYILJ-MCIONIFRSA-N	1	0	374.489	1.712	20	30		FDEDRO
COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C	ZINC000896570170	824615052	/nfs/dbraw/zinc/61/50/52/824615052.db2.gz	JXNNGVBIVQVEBD-WBVHZDCISA-N	1	0	374.485	1.476	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(C)[C@H](c2nc(C3CC3)no2)C1)[N@H+](C)C1CC1	ZINC000329134241	824617963	/nfs/dbraw/zinc/61/79/63/824617963.db2.gz	QAYHLBVPEBEYAV-DOMZBBRYSA-N	1	0	362.478	1.632	20	30		FDEDRO
Cn1cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c(C(F)(F)F)n1	ZINC000447141131	828671035	/nfs/dbraw/zinc/67/10/35/828671035.db2.gz	ZPNJITHWUBJGBQ-UHFFFAOYSA-N	1	0	374.367	1.071	20	30		FDEDRO
Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1	ZINC000329160449	824637455	/nfs/dbraw/zinc/63/74/55/824637455.db2.gz	YGDWMAFNLLOHHW-WBVHZDCISA-N	1	0	361.490	1.809	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@H]2c2cccnc2)CC1	ZINC000329244257	824693001	/nfs/dbraw/zinc/69/30/01/824693001.db2.gz	UITJJNKZHKZMQS-OALUTQOASA-N	1	0	355.486	1.911	20	30		FDEDRO
O=C(NC1CC[NH+](Cc2ccncc2)CC1)N1CCOC[C@@H]1[C@@H]1CCCO1	ZINC000329287490	824715338	/nfs/dbraw/zinc/71/53/38/824715338.db2.gz	PRFDDZCHFAOWAN-MOPGFXCFSA-N	1	0	374.485	1.840	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCN(C(C)C)C1=O	ZINC001029482053	824723265	/nfs/dbraw/zinc/72/32/65/824723265.db2.gz	RXTYKSZPWRTJJT-ILOCAZANSA-N	1	0	361.486	1.262	20	30		FDEDRO
CC[NH+](CC)CCOc1ccccc1CNC(=O)c1cnn(C)c1C#N	ZINC000474904289	824782382	/nfs/dbraw/zinc/78/23/82/824782382.db2.gz	FFKRTWFLHZMXCA-UHFFFAOYSA-N	1	0	355.442	1.942	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)C1	ZINC000329454795	824805014	/nfs/dbraw/zinc/80/50/14/824805014.db2.gz	MKIBYGNAUZYYRF-XMTFNYHQSA-N	1	0	369.506	1.119	20	30		FDEDRO
Cn1cc(CN2CCCN(C(=O)Nc3cccc4c3OCO4)CC2)cn1	ZINC000329458364	824805629	/nfs/dbraw/zinc/80/56/29/824805629.db2.gz	OIQKVJUDGNDSJY-UHFFFAOYSA-N	1	0	357.414	1.902	20	30		FDEDRO
CC(C)N(CC(=O)N1CCCCCC1)C(=O)NC[C@@H]1C[N@H+](C)CCN1C	ZINC000329463761	824812528	/nfs/dbraw/zinc/81/25/28/824812528.db2.gz	UMKDISDXQHDPQP-QGZVFWFLSA-N	1	0	367.538	1.259	20	30		FDEDRO
CN1CCN(C(=O)c2cc(NC(=O)NCC3(O)CCCC3)ccn2)CC1	ZINC000329467376	824813206	/nfs/dbraw/zinc/81/32/06/824813206.db2.gz	WEAJYZLSECNCTH-UHFFFAOYSA-N	1	0	361.446	1.100	20	30		FDEDRO
Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCc3cncnc3C2)CCC[N@@H+]1C	ZINC000329485646	824829585	/nfs/dbraw/zinc/82/95/85/824829585.db2.gz	QVQWOJVPHOQGTG-MAUKXSAKSA-N	1	0	369.473	1.565	20	30		FDEDRO
C[NH+]1CCC(O)(CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1	ZINC000474976383	824873772	/nfs/dbraw/zinc/87/37/72/824873772.db2.gz	JYNWQMKLSDYYRA-UHFFFAOYSA-N	1	0	366.421	1.932	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3[nH]c(C)c(C(N)=O)c3CC)C[C@@H]2C1	ZINC001087992162	824952943	/nfs/dbraw/zinc/95/29/43/824952943.db2.gz	GXNLXLJUKFPTHK-CABCVRRESA-N	1	0	358.486	1.954	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)CC1	ZINC000329616356	825002154	/nfs/dbraw/zinc/00/21/54/825002154.db2.gz	FOWQBLIAWCICRO-ZDUSSCGKSA-N	1	0	362.478	1.129	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CNC(=O)c4ccccc43)C[C@@H]2C1	ZINC001087996735	825002922	/nfs/dbraw/zinc/00/29/22/825002922.db2.gz	MXSWYSHYTFLXJX-GJYPPUQNSA-N	1	0	353.466	1.870	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3[nH]ccc3C)[C@H]2CC)CC1	ZINC000984827813	825041163	/nfs/dbraw/zinc/04/11/63/825041163.db2.gz	SADRONDYIBQVSS-ZWKOTPCHSA-N	1	0	370.497	1.778	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCO[C@H]3c3nccn3C)C[C@@H]2C1	ZINC001087998930	825081462	/nfs/dbraw/zinc/08/14/62/825081462.db2.gz	LEEYACYHOHOZQY-XMTFNYHQSA-N	1	0	356.470	1.301	20	30		FDEDRO
Cc1ccc(N2CCC[C@H](NC(=O)N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)C2)nn1	ZINC000329638203	825087495	/nfs/dbraw/zinc/08/74/95/825087495.db2.gz	YTACTIXGSFBHMV-ULQDDVLXSA-N	1	0	358.490	1.836	20	30		FDEDRO
O=C([C@H]1CCCNC1=O)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001088002914	825114754	/nfs/dbraw/zinc/11/47/54/825114754.db2.gz	YLYLLLJIYLPJDR-AABGKKOBSA-N	1	0	365.477	1.345	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cnc[nH]c4=O)C[C@@H]3C2)cc1	ZINC001088007032	825155653	/nfs/dbraw/zinc/15/56/53/825155653.db2.gz	SKTUACGUCZOMBC-SJORKVTESA-N	1	0	363.421	1.648	20	30		FDEDRO
O=C(NCC#Cc1ccc(C(F)(F)F)cc1)C1C[NH+]([C@@H]2CCOC2)C1	ZINC000896833664	825164692	/nfs/dbraw/zinc/16/46/92/825164692.db2.gz	XFUBAGGECZERGC-MRXNPFEDSA-N	1	0	352.356	1.894	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3sccc3-n3cnnn3)C[C@@H]2C1	ZINC001088025907	825401633	/nfs/dbraw/zinc/40/16/33/825401633.db2.gz	HWNVCZUXBFQJIA-KGLIPLIRSA-N	1	0	356.455	1.141	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(CNC(C)=O)cc3)C[C@@H]2C1	ZINC001088030387	825445168	/nfs/dbraw/zinc/44/51/68/825445168.db2.gz	MBXPZTGPWOICHZ-UXHICEINSA-N	1	0	353.466	1.740	20	30		FDEDRO
CCc1noc([C@H](C)N2CCN(C(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)n1	ZINC000329801520	825465713	/nfs/dbraw/zinc/46/57/13/825465713.db2.gz	JRVUEHRYKBKUTB-SOUVJXGZSA-N	1	0	364.494	1.707	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)N2CCN([C@H](C)c3nc(C)no3)CC2)CC1	ZINC000329803286	825466309	/nfs/dbraw/zinc/46/63/09/825466309.db2.gz	LCPUGCQECMDDSI-CQSZACIVSA-N	1	0	364.494	1.845	20	30		FDEDRO
O=C(NCc1cnc(N2CCOCC2)c(F)c1)N[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000329817583	825478934	/nfs/dbraw/zinc/47/89/34/825478934.db2.gz	OKHLFQPZMUVCHR-CQSZACIVSA-N	1	0	363.437	1.298	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@@H]2CCc3c[nH]nc3C2)CC1	ZINC000329828555	825488136	/nfs/dbraw/zinc/48/81/36/825488136.db2.gz	DGTZXHHLHZSIBP-IAGOWNOFSA-N	1	0	360.506	1.283	20	30		FDEDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCc1nc2ccccc2n1C1CC1	ZINC000329852555	825504247	/nfs/dbraw/zinc/50/42/47/825504247.db2.gz	RMWDFQNTGCFMMM-HNNXBMFYSA-N	1	0	356.474	1.621	20	30		FDEDRO
C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccnc(C(=O)N(C)C)c1	ZINC000329941360	825555940	/nfs/dbraw/zinc/55/59/40/825555940.db2.gz	UYTUGWSFCOYSSQ-AWEZNQCLSA-N	1	0	362.478	1.135	20	30		FDEDRO
C[C@H](CNC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1)C[NH+]1CCN(C)CC1	ZINC000329994492	825584995	/nfs/dbraw/zinc/58/49/95/825584995.db2.gz	MGPYJFUMCVLCTJ-APWZRJJASA-N	1	0	368.522	1.054	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000984945888	825616371	/nfs/dbraw/zinc/61/63/71/825616371.db2.gz	JKPKQJVRNSXSHJ-CWLKWCNXSA-N	1	0	371.485	1.726	20	30		FDEDRO
O=C(NCc1cccc(N2CCOCC2)n1)NC[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000330095528	825634540	/nfs/dbraw/zinc/63/45/40/825634540.db2.gz	VREAKKMKYUDQPV-HNNXBMFYSA-N	1	0	359.474	1.406	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCCN3CC3CCC3)C[C@@H]2C1	ZINC001088052850	825636948	/nfs/dbraw/zinc/63/69/48/825636948.db2.gz	KXRGLFHUHISNLL-HSALFYBXSA-N	1	0	361.530	1.844	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)C[C@@H]2C1	ZINC001088053451	825644605	/nfs/dbraw/zinc/64/46/05/825644605.db2.gz	IWGSSSRFQNKWNI-CABCVRRESA-N	1	0	355.442	1.301	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@H](C)O[C@]3(CCCOC3)C2)C1	ZINC000330141845	825671765	/nfs/dbraw/zinc/67/17/65/825671765.db2.gz	XXLZDRWXCYTIIO-YQVWRLOYSA-N	1	0	369.506	1.527	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1	ZINC000330159331	825693475	/nfs/dbraw/zinc/69/34/75/825693475.db2.gz	QNHWWYZMERCIHE-BHIYHBOVSA-N	1	0	360.502	1.904	20	30		FDEDRO
CN(C)C(=O)CNC(=[NH+]C1CCCC1)N1CCC[C@H](C2(C)OCCO2)C1	ZINC000262350716	825696894	/nfs/dbraw/zinc/69/68/94/825696894.db2.gz	YVEQCQZNWFPNFJ-HNNXBMFYSA-N	1	0	366.506	1.438	20	30		FDEDRO
C[C@H](NC(=O)C1CCCC1)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000330168146	825698084	/nfs/dbraw/zinc/69/80/84/825698084.db2.gz	ZTQLEQBCONHXOW-GOEBONIOSA-N	1	0	364.490	1.287	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc4c(c3)c(C)nn4C)C[C@@H]2C1	ZINC001088060061	825718282	/nfs/dbraw/zinc/71/82/82/825718282.db2.gz	JPEFUZXIIIPURN-WBVHZDCISA-N	1	0	351.454	1.694	20	30		FDEDRO
Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC3(C2)CCOCC3)CCC[N@@H+]1C	ZINC000330218310	825738156	/nfs/dbraw/zinc/73/81/56/825738156.db2.gz	OPVMDEICCCSIDY-DOTOQJQBSA-N	1	0	361.490	1.829	20	30		FDEDRO
Cc1nc2n(n1)C[C@@H]([NH+]=C([O-])N1CC[N@H+](C3CCOCC3)C[C@@H]1C)CC2	ZINC000330254641	825768143	/nfs/dbraw/zinc/76/81/43/825768143.db2.gz	JNTGZZXHLDPAAM-ZFWWWQNUSA-N	1	0	362.478	1.000	20	30		FDEDRO
Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C	ZINC000330257704	825769976	/nfs/dbraw/zinc/76/99/76/825769976.db2.gz	LTSBNCDEXWITIH-XJKSGUPXSA-N	1	0	362.478	1.521	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C3(n4cnnn4)CCCCC3)C[C@@H]2C1	ZINC001088064231	825776282	/nfs/dbraw/zinc/77/62/82/825776282.db2.gz	SZEXQMYHXFTQLZ-SJORKVTESA-N	1	0	356.474	1.136	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1	ZINC000330271578	825783533	/nfs/dbraw/zinc/78/35/33/825783533.db2.gz	WCXHBTSIFNLGER-KDOFPFPSSA-N	1	0	359.430	1.336	20	30		FDEDRO
C[C@@H]1C[NH+](CCC2CCN(C(=O)NC[C@@H]3COCCO3)CC2)C[C@@H](C)O1	ZINC000330289961	825796509	/nfs/dbraw/zinc/79/65/09/825796509.db2.gz	CETPBDXFCYJCLX-JFIYKMOQSA-N	1	0	369.506	1.527	20	30		FDEDRO
C[C@H](Cn1cncn1)NC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1	ZINC000330317803	825900831	/nfs/dbraw/zinc/90/08/31/825900831.db2.gz	BWXIWJKLZHLNIU-HLLBOEOZSA-N	1	0	374.493	1.329	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1cccnc1N1CC[NH+](C)CC1	ZINC000281338113	825941001	/nfs/dbraw/zinc/94/10/01/825941001.db2.gz	CXBFQAFRNCNJFV-AEFFLSMTSA-N	1	0	373.501	1.614	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3ccoc3)[C@@H]2CC)CC1	ZINC000984992701	826039796	/nfs/dbraw/zinc/03/97/96/826039796.db2.gz	QEFGDQUNZCABNH-ZWKOTPCHSA-N	1	0	357.454	1.734	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3cnco3)[C@@H]2CC)CC1	ZINC000984993132	826041820	/nfs/dbraw/zinc/04/18/20/826041820.db2.gz	SETJHGPRNUFKCR-JKSUJKDBSA-N	1	0	358.442	1.129	20	30		FDEDRO
C[NH+]=C(N[C@@H]1C[C@@H]1C1CCCCC1)N1CCN(CC(=O)NC2CC2)CC1	ZINC000262373449	826162964	/nfs/dbraw/zinc/16/29/64/826162964.db2.gz	JABSGACLUVFHRH-QZTJIDSGSA-N	1	0	361.534	1.427	20	30		FDEDRO
COc1coc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1=O	ZINC000281757195	826208729	/nfs/dbraw/zinc/20/87/29/826208729.db2.gz	WGBFWGUQEUGMOO-UHFFFAOYSA-N	1	0	355.394	1.724	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)NS(C)(=O)=O)C2	ZINC001112536490	826215498	/nfs/dbraw/zinc/21/54/98/826215498.db2.gz	KRLUSEIXWYEZRN-ZOBUZTSGSA-N	1	0	357.520	1.109	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1	ZINC000281773846	826223871	/nfs/dbraw/zinc/22/38/71/826223871.db2.gz	MDASLCPUZGTAJT-MJGOQNOKSA-N	1	0	373.501	1.614	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)/C=C/c2ccc[nH]2)[C@@H]1CC	ZINC000985047785	826232517	/nfs/dbraw/zinc/23/25/17/826232517.db2.gz	PYSBEHPJEBQSLC-YHROWNBBSA-N	1	0	368.481	1.621	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	ZINC000281832017	826264372	/nfs/dbraw/zinc/26/43/72/826264372.db2.gz	SEDJUGROEYDEQL-UHFFFAOYSA-N	1	0	373.501	1.351	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1CC	ZINC000985065525	826268466	/nfs/dbraw/zinc/26/84/66/826268466.db2.gz	LOGHOGLUEFHISW-XDNAFOTISA-N	1	0	363.502	1.415	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)[C@H]2CC)nc1	ZINC000985087242	826308980	/nfs/dbraw/zinc/30/89/80/826308980.db2.gz	SQFOJVOYWTVIAU-UHOSZYNNSA-N	1	0	368.481	1.657	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccnn4CCC)[C@@H]3C2)C1=O	ZINC001075837336	826340469	/nfs/dbraw/zinc/34/04/69/826340469.db2.gz	DCFRTJNJQSZJCR-LZLYRXPVSA-N	1	0	371.485	1.226	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C3(S(C)(=O)=O)CCCC3)C[C@@H]2C1	ZINC001088137922	826619553	/nfs/dbraw/zinc/61/95/53/826619553.db2.gz	KGCNCTNHIPHNFX-CVEARBPZSA-N	1	0	352.500	1.147	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3csc(-c4nc[nH]n4)n3)C[C@@H]2C1	ZINC001088138342	826622421	/nfs/dbraw/zinc/62/24/21/826622421.db2.gz	GGUOPTCUBUPOFL-OLZOCXBDSA-N	1	0	356.455	1.345	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000985160679	826650704	/nfs/dbraw/zinc/65/07/04/826650704.db2.gz	IWLMGRBKXIKVMV-JLJPHGGASA-N	1	0	357.458	1.337	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000985164104	826663784	/nfs/dbraw/zinc/66/37/84/826663784.db2.gz	LMIWKOOMEXKTBY-GOEBONIOSA-N	1	0	355.442	1.091	20	30		FDEDRO
C=CCOc1ccc(C[NH+]2CCC3(CC2)C[C@@H](O)CNC3=O)cc1OC	ZINC000897043081	826826360	/nfs/dbraw/zinc/82/63/60/826826360.db2.gz	SEZXDOJQCSTDIP-MRXNPFEDSA-N	1	0	360.454	1.723	20	30		FDEDRO
C#Cc1cccc(NC(=S)N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c1	ZINC000840822127	827066846	/nfs/dbraw/zinc/06/68/46/827066846.db2.gz	DITNYESKIQBKCY-KRWDZBQOSA-N	1	0	356.495	1.651	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2nccnc2C#N)CC[N@@H+]1C	ZINC001059515515	827184104	/nfs/dbraw/zinc/18/41/04/827184104.db2.gz	BGTMTTDPNZXWBQ-MOTUXRJWSA-N	1	0	354.458	1.304	20	30		FDEDRO
C=C(Cl)CN1CC[C@@H]2CN(C(=O)C[C@@H]3CCCCC(=O)N3)C[C@@H]2C1	ZINC001088183603	827307293	/nfs/dbraw/zinc/30/72/93/827307293.db2.gz	OCPFXKPAODGKQR-PMPSAXMXSA-N	1	0	353.894	1.968	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)COc3cccc(C(N)=O)c3)C[C@@H]2C1	ZINC001088210476	827486289	/nfs/dbraw/zinc/48/62/89/827486289.db2.gz	MRXGACTUUDXTPO-SJORKVTESA-N	1	0	357.454	1.521	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3oc(C)cc3C)[C@H]2C)CC1	ZINC000987554579	833222650	/nfs/dbraw/zinc/22/26/50/833222650.db2.gz	YSHSDWRLSYZXGY-AEFFLSMTSA-N	1	0	371.481	1.961	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2occc2C[NH+](C)C)CCN1C(=O)C#CC1CC1	ZINC000985363769	827595396	/nfs/dbraw/zinc/59/53/96/827595396.db2.gz	RGLBFVOFGNTBOR-DLBZAZTESA-N	1	0	357.454	1.864	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@H]2CCN(CC)C2=O)CC1	ZINC000985435439	827819281	/nfs/dbraw/zinc/81/92/81/827819281.db2.gz	KLPFPUYJUZJZDF-SQNIBIBYSA-N	1	0	363.502	1.511	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@H](C[N@H+](C)Cc3cccc(C#N)c3)C2)C1	ZINC001029741139	827956656	/nfs/dbraw/zinc/95/66/56/827956656.db2.gz	JXDHOYLDCRYDQQ-ATZDWAIDSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)COC)C[C@H]1C(F)(F)F	ZINC001112186778	828052307	/nfs/dbraw/zinc/05/23/07/828052307.db2.gz	FZKVUDPKYUVVIK-MGPQQGTHSA-N	1	0	352.397	1.841	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(-c4cccnc4)nn3)[C@@H]2C1	ZINC001075862574	828271772	/nfs/dbraw/zinc/27/17/72/828271772.db2.gz	UESKGSVMLRODBO-MAUKXSAKSA-N	1	0	352.442	1.775	20	30		FDEDRO
CCN1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1c1ncc[nH]1	ZINC000526077749	828838334	/nfs/dbraw/zinc/83/83/34/828838334.db2.gz	MGQYQGRWKYTJBW-KRWDZBQOSA-N	1	0	352.442	1.989	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1	ZINC000527118318	828966244	/nfs/dbraw/zinc/96/62/44/828966244.db2.gz	OKDBIEFXPMDTHQ-CYBMUJFWSA-N	1	0	358.442	1.694	20	30		FDEDRO
C[NH+](C)CCNC(=O)C1CCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1	ZINC000527263065	829011855	/nfs/dbraw/zinc/01/18/55/829011855.db2.gz	GOFXMRIPHNJNRL-IBGZPJMESA-N	1	0	370.497	1.990	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1cnccn1	ZINC000527467412	829072117	/nfs/dbraw/zinc/07/21/17/829072117.db2.gz	YDEMPUJEPRBSSU-UHFFFAOYSA-N	1	0	352.442	1.664	20	30		FDEDRO
CC(=O)N(C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001111602511	829179965	/nfs/dbraw/zinc/17/99/65/829179965.db2.gz	FMMYQMCJSSZOEO-FPOVZHCZSA-N	1	0	353.466	1.487	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1	ZINC000448859816	829265952	/nfs/dbraw/zinc/26/59/52/829265952.db2.gz	NCUAMILKPAYNFQ-MOPGFXCFSA-N	1	0	371.481	1.956	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC(=O)N2CCCC2)C1	ZINC001088384609	829378625	/nfs/dbraw/zinc/37/86/25/829378625.db2.gz	LFBNYNGZELDKKH-KSZLIROESA-N	1	0	363.502	1.561	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(C[C@H](O)COc3ccccc3C#N)CC2)C1	ZINC000528418323	829396323	/nfs/dbraw/zinc/39/63/23/829396323.db2.gz	UVCYEJZJUBNUOX-OALUTQOASA-N	1	0	358.486	1.010	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](Oc2cnccc2C#N)C1	ZINC000528521306	829435656	/nfs/dbraw/zinc/43/56/56/829435656.db2.gz	SDGQFLJVGGKFQZ-MSOLQXFVSA-N	1	0	364.405	1.718	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CCCN3CCCO)CC2)cc1	ZINC000449389304	829480686	/nfs/dbraw/zinc/48/06/86/829480686.db2.gz	RVDFRKISWURWNI-OAQYLSRUSA-N	1	0	356.514	1.959	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cn(C)nc2C)C1	ZINC001029864314	829577852	/nfs/dbraw/zinc/57/78/52/829577852.db2.gz	JJDKSAOWQODAEK-WDSOQIARSA-N	1	0	360.502	1.990	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CC[NH2+]C34CCC4)C2=O)cc1	ZINC000529328327	829833875	/nfs/dbraw/zinc/83/38/75/829833875.db2.gz	YSJNMMUIIBIWGG-DLBZAZTESA-N	1	0	367.453	1.637	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cncnc2C2CC2)C[C@H]1C(F)(F)F	ZINC001112199955	829990281	/nfs/dbraw/zinc/99/02/81/829990281.db2.gz	DYIGDXZNFZZNPU-ZIAGYGMSSA-N	1	0	352.360	1.970	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2C)C[C@H]1C(F)(F)F	ZINC001112199964	829993054	/nfs/dbraw/zinc/99/30/54/829993054.db2.gz	FEVAZWXUZVHVJU-MGPQQGTHSA-N	1	0	361.408	1.942	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)CC1	ZINC000451617632	830411115	/nfs/dbraw/zinc/41/11/15/830411115.db2.gz	USWSVXSDQFZKOK-WSTZPKSXSA-N	1	0	362.518	1.065	20	30		FDEDRO
COC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C[C@H]1c1ccccc1	ZINC000452005785	830501693	/nfs/dbraw/zinc/50/16/93/830501693.db2.gz	MXYKQCSMPWDTSW-HYVNUMGLSA-N	1	0	355.438	1.826	20	30		FDEDRO
N#Cc1cccc(-c2cc(C(=O)NC[C@H]3CCC[N@H+]3CCCO)on2)c1	ZINC000452376822	830638736	/nfs/dbraw/zinc/63/87/36/830638736.db2.gz	ZKHFAFAPGGXWHN-MRXNPFEDSA-N	1	0	354.410	1.790	20	30		FDEDRO
C=CCn1c(-c2nnn(C)c2C)nnc1N1CC[N@@H+](CCOCC)[C@H](C)C1	ZINC000453435041	830928418	/nfs/dbraw/zinc/92/84/18/830928418.db2.gz	XSINMZMQDZTYBQ-CQSZACIVSA-N	1	0	374.493	1.115	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cccc(CC#N)c2)C1	ZINC000453566900	830944927	/nfs/dbraw/zinc/94/49/27/830944927.db2.gz	GCAKABKWSGSLTA-KRWDZBQOSA-N	1	0	358.442	1.164	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)ccc1C#N	ZINC000453598706	830953425	/nfs/dbraw/zinc/95/34/25/830953425.db2.gz	AVJYZEHQCWTDLS-DJJJIMSYSA-N	1	0	357.458	1.827	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1	ZINC000453608193	830966055	/nfs/dbraw/zinc/96/60/55/830966055.db2.gz	UFEYAPZRCLAGMC-OAHLLOKOSA-N	1	0	370.453	1.517	20	30		FDEDRO
C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)C1	ZINC000453657501	830989364	/nfs/dbraw/zinc/98/93/64/830989364.db2.gz	BEOIDOZOEMEYQG-KRWDZBQOSA-N	1	0	354.454	1.881	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1C#N	ZINC000453661486	830992657	/nfs/dbraw/zinc/99/26/57/830992657.db2.gz	CIVNFICXKGHVGP-RDJZCZTQSA-N	1	0	367.453	1.676	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)ccc1C#N	ZINC000453662410	830993327	/nfs/dbraw/zinc/99/33/27/830993327.db2.gz	CUVDYAKPTPUDHT-HNNXBMFYSA-N	1	0	357.458	1.684	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)ccc1C#N	ZINC000453667828	830997208	/nfs/dbraw/zinc/99/72/08/830997208.db2.gz	IWKZDGCGLJZJHQ-UHFFFAOYSA-N	1	0	355.398	1.384	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)c1	ZINC000453704720	831028950	/nfs/dbraw/zinc/02/89/50/831028950.db2.gz	DNANIBUBVHGHFE-UHFFFAOYSA-N	1	0	371.485	1.290	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)Nc1cccc(CC#N)c1	ZINC000453744735	831056103	/nfs/dbraw/zinc/05/61/03/831056103.db2.gz	FKJCDTPHOZRSBB-UHFFFAOYSA-N	1	0	359.474	1.033	20	30		FDEDRO
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1nn(C(C)C)cc1C#N	ZINC000453802472	831104388	/nfs/dbraw/zinc/10/43/88/831104388.db2.gz	DACIPJLKERFWMV-INIZCTEOSA-N	1	0	374.489	1.901	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2C1	ZINC000986155800	831207307	/nfs/dbraw/zinc/20/73/07/831207307.db2.gz	IFWHOGZGHZNPFR-FGTMMUONSA-N	1	0	359.514	1.847	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]2C1	ZINC000986249723	831422100	/nfs/dbraw/zinc/42/21/00/831422100.db2.gz	LTVZDPSBKWXBQB-QYZOEREBSA-N	1	0	357.498	1.581	20	30		FDEDRO
C[NH+]=C(NCC1CCN(C(C)=O)CC1)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1	ZINC000262793987	831466272	/nfs/dbraw/zinc/46/62/72/831466272.db2.gz	OWUPVGHRSSEGFQ-DLBZAZTESA-N	1	0	365.522	1.057	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]3C2)cc1	ZINC000986330504	831496751	/nfs/dbraw/zinc/49/67/51/831496751.db2.gz	XIJUJXWPKGBHNN-HSALFYBXSA-N	1	0	367.493	1.929	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC001059721262	831775858	/nfs/dbraw/zinc/77/58/58/831775858.db2.gz	BUILJVGTYKVYKW-LSTHTHJFSA-N	1	0	371.525	1.733	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)C[C@H]1C(F)(F)F	ZINC001112208894	831983170	/nfs/dbraw/zinc/98/31/70/831983170.db2.gz	KYURCSHZUOVRPQ-UTUOFQBUSA-N	1	0	354.394	1.119	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@H](CCNC(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC001059730816	831994831	/nfs/dbraw/zinc/99/48/31/831994831.db2.gz	QUFWAKMFUPYWFB-IJEWVQPXSA-N	1	0	357.458	1.195	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)[C@H]2CCCNC2=O)CC1	ZINC001030002342	832365194	/nfs/dbraw/zinc/36/51/94/832365194.db2.gz	JYNYRWADGFVAKW-BZSNNMDCSA-N	1	0	363.502	1.417	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C[C@H]2COC(=O)C2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088522668	832403389	/nfs/dbraw/zinc/40/33/89/832403389.db2.gz	AIDQBWAKNYLMNY-KYJSFNMBSA-N	1	0	371.437	1.621	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C[C@@H](O)c1ccc(F)cc1	ZINC001088522691	832403597	/nfs/dbraw/zinc/40/35/97/832403597.db2.gz	BFAOXYOLGPHVTH-PZPSRYQVSA-N	1	0	356.401	1.952	20	30		FDEDRO
CC(C)(C)c1nnc(CNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)[nH]1	ZINC000263215494	832654776	/nfs/dbraw/zinc/65/47/76/832654776.db2.gz	ZVKBQTBTBFEZNL-UHFFFAOYSA-N	1	0	359.453	1.878	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1	ZINC001059790579	832754252	/nfs/dbraw/zinc/75/42/52/832754252.db2.gz	SALTYRQSFVBVEV-LNLFQRSKSA-N	1	0	365.518	1.663	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]1C	ZINC000987621084	833499333	/nfs/dbraw/zinc/49/93/33/833499333.db2.gz	SOTRLIBWJAFWEL-UKPHBRMFSA-N	1	0	357.458	1.478	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C)CC[N@@H+]1C	ZINC000987624122	833501956	/nfs/dbraw/zinc/50/19/56/833501956.db2.gz	CILDEILAJLKBQP-VWNJHIHFSA-N	1	0	357.458	1.336	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)Cc3ccc(C)o3)[C@H]2C)CC1	ZINC000987627576	833503311	/nfs/dbraw/zinc/50/33/11/833503311.db2.gz	HCFYQMUGOZPMRD-APWZRJJASA-N	1	0	371.481	1.581	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)[C@@H](C1CC1)[NH+]1CCCC1	ZINC000987646927	833512808	/nfs/dbraw/zinc/51/28/08/833512808.db2.gz	KYYHKVCVDPTNMM-JEBQAFNWSA-N	1	0	369.469	1.480	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H](CN(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000988185477	834208831	/nfs/dbraw/zinc/20/88/31/834208831.db2.gz	ZYZNHUPNHKMXCU-IMFGXOCKSA-N	1	0	367.493	1.929	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@]23C[C@H]2COC3)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088580237	835264920	/nfs/dbraw/zinc/26/49/20/835264920.db2.gz	ABCFXMNNKGSYOY-CQEAQJRCSA-N	1	0	355.438	1.704	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCC3(F)F)[C@@H]2C)CC1	ZINC000988506747	835659595	/nfs/dbraw/zinc/65/95/95/835659595.db2.gz	OMJGNNQWBROLDP-BMFZPTHFSA-N	1	0	367.440	1.483	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)CCn3cccc3)[C@@H]2C)CC1	ZINC000988507281	835662212	/nfs/dbraw/zinc/66/22/12/835662212.db2.gz	RSYMZXJWISFOGW-MJGOQNOKSA-N	1	0	370.497	1.329	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCCC[N@H+]3CC)[C@H]2C)c1	ZINC000988513276	835701943	/nfs/dbraw/zinc/70/19/43/835701943.db2.gz	DVCNLYNLBAWDRY-AYOQOUSVSA-N	1	0	368.481	1.657	20	30		FDEDRO
COC[C@](C)(O)CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000455197200	835942107	/nfs/dbraw/zinc/94/21/07/835942107.db2.gz	IMCOUHHZBNGIJJ-HXUWFJFHSA-N	1	0	374.485	1.563	20	30		FDEDRO
CCN1C[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3C#N)[C@@H]2C)CC1=O	ZINC001088602523	835949940	/nfs/dbraw/zinc/94/99/40/835949940.db2.gz	JLOLKVISJXGWRY-OLMNPRSZSA-N	1	0	354.454	1.506	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc3n[nH]nc3n2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088605833	836063983	/nfs/dbraw/zinc/06/39/83/836063983.db2.gz	KKOKBAYZSZPCAR-DOMZBBRYSA-N	1	0	361.409	1.617	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1CN([C@H](C)C(=O)N2CCCCCC2)C[C@H]1OC	ZINC001212024150	836303689	/nfs/dbraw/zinc/30/36/89/836303689.db2.gz	LDGMWXIAUJSCAQ-BRWVUGGUSA-N	1	0	351.491	1.559	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1	ZINC000667381871	844150467	/nfs/dbraw/zinc/15/04/67/844150467.db2.gz	GXLNJKHOUNDVFK-KRWDZBQOSA-N	1	0	360.458	1.986	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1	ZINC000938019908	836971875	/nfs/dbraw/zinc/97/18/75/836971875.db2.gz	BTYRZNMVIGZEHT-BZSNNMDCSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1CCC(c2nnc3n2CCNC3)CC1	ZINC000261669704	837221015	/nfs/dbraw/zinc/22/10/15/837221015.db2.gz	PBIUXELGDZYYPV-UHFFFAOYSA-N	1	0	367.453	1.966	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@@H]1O	ZINC001083456028	837334128	/nfs/dbraw/zinc/33/41/28/837334128.db2.gz	DGUPROBPCUZKMF-ZACQAIPSSA-N	1	0	362.499	1.154	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O	ZINC001083456296	837340025	/nfs/dbraw/zinc/34/00/25/837340025.db2.gz	PCYLMUCFDWWZBM-AABGKKOBSA-N	1	0	355.482	1.072	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CC[C@@H](C(N)=O)C3)CC2)cc1	ZINC000455589433	837899061	/nfs/dbraw/zinc/89/90/61/837899061.db2.gz	XKGSSXKZFYSXHI-MSOLQXFVSA-N	1	0	369.469	1.430	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1C	ZINC000989050812	838224423	/nfs/dbraw/zinc/22/44/23/838224423.db2.gz	IXMWFLOVSIXGDF-IKGGRYGDSA-N	1	0	358.486	1.735	20	30		FDEDRO
CC(=O)N1CCC[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000192491169	838318696	/nfs/dbraw/zinc/31/86/96/838318696.db2.gz	DFJHIHMPZCNNMI-IBGZPJMESA-N	1	0	356.470	1.707	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1	ZINC000428588229	838345151	/nfs/dbraw/zinc/34/51/51/838345151.db2.gz	BJJVKQWRWMDKGA-KRWDZBQOSA-N	1	0	357.454	1.535	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CCCO)C3)[C@H]2C(C)C)cn1	ZINC001105669904	844323568	/nfs/dbraw/zinc/32/35/68/844323568.db2.gz	WLILHINCZCBATR-ANTGDGSKSA-N	1	0	371.481	1.025	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)CC1	ZINC000273616431	838456240	/nfs/dbraw/zinc/45/62/40/838456240.db2.gz	VANNEQZGNDHALX-SFHVURJKSA-N	1	0	371.485	1.522	20	30		FDEDRO
C=CCn1c(C(=O)N2CCCC2)nnc1N1CCC([NH+]2CCCC2)CC1	ZINC000508739406	838492102	/nfs/dbraw/zinc/49/21/02/838492102.db2.gz	KCNLLGHLVRCCJY-UHFFFAOYSA-N	1	0	358.490	1.765	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1	ZINC000989215429	838734776	/nfs/dbraw/zinc/73/47/76/838734776.db2.gz	YFRLTPJRTNNULJ-XSLAGTTESA-N	1	0	363.502	1.559	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@H]2C)c1	ZINC000989230067	838785556	/nfs/dbraw/zinc/78/55/56/838785556.db2.gz	FQMMOOUMVYLPNW-QAPCUYQASA-N	1	0	368.481	1.657	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000459818725	838961282	/nfs/dbraw/zinc/96/12/82/838961282.db2.gz	DLYYIGCUOJUZNV-IAGOWNOFSA-N	1	0	365.518	1.759	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3c(C)n[nH]c3C)[C@H]2C)CC1	ZINC000989304362	839350949	/nfs/dbraw/zinc/35/09/49/839350949.db2.gz	JFTMXUFJTASZGZ-WBVHZDCISA-N	1	0	371.485	1.091	20	30		FDEDRO
Cc1cc(N2CCC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C#N)cn1	ZINC001059968686	839537032	/nfs/dbraw/zinc/53/70/32/839537032.db2.gz	MWRBOICXBLDZIM-JFIYKMOQSA-N	1	0	355.486	1.935	20	30		FDEDRO
CCc1nc(C#N)cc(N2CCC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001059968899	839541528	/nfs/dbraw/zinc/54/15/28/839541528.db2.gz	UERRDTXKUNTIIU-HLLBOEOZSA-N	1	0	370.501	1.583	20	30		FDEDRO
C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1	ZINC000760412131	839932737	/nfs/dbraw/zinc/93/27/37/839932737.db2.gz	BFQXVUGCXFIEQB-AWEZNQCLSA-N	1	0	362.405	1.609	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105588075	840038188	/nfs/dbraw/zinc/03/81/88/840038188.db2.gz	QQRFKIVGWPADTG-YKCBXCCJSA-N	1	0	365.518	1.301	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105588277	840080380	/nfs/dbraw/zinc/08/03/80/840080380.db2.gz	UKZIKUCZTCOYBE-BNDYYXHWSA-N	1	0	371.481	1.311	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN3CCCC3=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105590216	840123260	/nfs/dbraw/zinc/12/32/60/840123260.db2.gz	IVOUWVZTYSMNCP-YKCBXCCJSA-N	1	0	363.502	1.151	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(C)nc2Cl)CC1	ZINC000897675203	840218192	/nfs/dbraw/zinc/21/81/92/840218192.db2.gz	UQBHPDIUTHCAEA-UHFFFAOYSA-N	1	0	364.877	1.816	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](c3nccs3)C2)CC1	ZINC000897675184	840218506	/nfs/dbraw/zinc/21/85/06/840218506.db2.gz	TUGCWDPHQNBKPC-CQSZACIVSA-N	1	0	362.499	1.616	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CCN(C(=O)C3C[NH+](C4CCOCC4)C3)C2)nc1	ZINC000897824037	840451445	/nfs/dbraw/zinc/45/14/45/840451445.db2.gz	SQPOELMMCMLXCA-KRWDZBQOSA-N	1	0	356.426	1.044	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCSC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105598582	840776645	/nfs/dbraw/zinc/77/66/45/840776645.db2.gz	TXHWTYYEGWFFKI-RWQQGDIJSA-N	1	0	368.543	1.355	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1	ZINC000842032506	840814974	/nfs/dbraw/zinc/81/49/74/840814974.db2.gz	DLAAPTSOTMEWMA-RTBURBONSA-N	1	0	369.465	1.029	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+][C@@H]3CCN(c4cc(=O)[nH]cn4)C3)CC2)cc1	ZINC000898152974	840831408	/nfs/dbraw/zinc/83/14/08/840831408.db2.gz	QXNPJONUGYZLMH-QGZVFWFLSA-N	1	0	364.453	1.891	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnsn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105600677	841002281	/nfs/dbraw/zinc/00/22/81/841002281.db2.gz	LJLLIWQVOJQXOR-UTXMOHQDSA-N	1	0	350.488	1.694	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnns3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105600825	841014034	/nfs/dbraw/zinc/01/40/34/841014034.db2.gz	NQXMKSRQVAJXIO-SMKXDYDZSA-N	1	0	350.488	1.694	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CSCC#N)[C@@H]2C(C)C)C[C@H]1O	ZINC001105601323	841030657	/nfs/dbraw/zinc/03/06/57/841030657.db2.gz	WIRGRSBRFCHROB-JOCBIADPSA-N	1	0	351.516	1.785	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCOC(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105601411	841033141	/nfs/dbraw/zinc/03/31/41/841033141.db2.gz	YBMWLQMZSBEVAY-IZBJGVDFSA-N	1	0	350.503	1.791	20	30		FDEDRO
Cn1cc(C[NH2+]CCNC(=O)c2cnccn2)c(-c2ccc(C#N)cc2)n1	ZINC000479893480	844599848	/nfs/dbraw/zinc/59/98/48/844599848.db2.gz	QZTREISRMMNSCE-UHFFFAOYSA-N	1	0	361.409	1.268	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1	ZINC000667578091	844605757	/nfs/dbraw/zinc/60/57/57/844605757.db2.gz	IDNACFJMDNGPKN-HNNXBMFYSA-N	1	0	374.441	1.566	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105603264	841168668	/nfs/dbraw/zinc/16/86/68/841168668.db2.gz	HDCHMLZHELJBHR-UIXUWTQFSA-N	1	0	360.502	1.966	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105603955	841179339	/nfs/dbraw/zinc/17/93/39/841179339.db2.gz	QTMPGTNIHFZPLQ-PHXBYCTMSA-N	1	0	360.502	1.966	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cc(C)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105606191	841204583	/nfs/dbraw/zinc/20/45/83/841204583.db2.gz	AZMHHSJTMFRZPX-LFGUQSLTSA-N	1	0	358.486	1.181	20	30		FDEDRO
C=CCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC3CC3)C2)[C@@H]1C(C)C	ZINC001105606329	841205333	/nfs/dbraw/zinc/20/53/33/841205333.db2.gz	CGYZZWSBGHPRBJ-YAJHFMINSA-N	1	0	363.502	1.197	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCC(=O)NCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105607157	841222277	/nfs/dbraw/zinc/22/22/77/841222277.db2.gz	MIUMMECWXHDBJO-RGCFKVTRSA-N	1	0	351.491	1.055	20	30		FDEDRO
C=CCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccn(C)n3)C2)[C@H]1C(C)C	ZINC001105607671	841232710	/nfs/dbraw/zinc/23/27/10/841232710.db2.gz	VNKRTPCAVVICHY-HNBVOPMISA-N	1	0	360.502	1.852	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CNC(=O)CCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105607860	841237049	/nfs/dbraw/zinc/23/70/49/841237049.db2.gz	ZDPVWLCXYDEWFR-XNFNUYLZSA-N	1	0	365.518	1.445	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cc(C)on3)[C@H]2C(C)C)C[C@H]1O	ZINC001105609820	841396871	/nfs/dbraw/zinc/39/68/71/841396871.db2.gz	BONAZYFJDPTANW-JYBIWHBTSA-N	1	0	359.470	1.515	20	30		FDEDRO
C[NH+]=C(NCc1cnc(N(C)C)n1C)NC1CCN(c2ccccn2)CC1	ZINC000087562287	841605245	/nfs/dbraw/zinc/60/52/45/841605245.db2.gz	IDPYYSSREMGCGZ-UHFFFAOYSA-N	1	0	370.505	1.215	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3CCOCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105611001	841748347	/nfs/dbraw/zinc/74/83/47/841748347.db2.gz	OGHVKPMLBFBOBP-VURPSTOHSA-N	1	0	362.514	1.793	20	30		FDEDRO
COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2cnn(C)c2C#N)cc1	ZINC000476555289	841882559	/nfs/dbraw/zinc/88/25/59/841882559.db2.gz	XGMBZNXJRUOTAF-KRWDZBQOSA-N	1	0	353.426	1.867	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cn3cccnc3n2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088702483	841909059	/nfs/dbraw/zinc/90/90/59/841909059.db2.gz	SMDZJEWGIZACDJ-PBHICJAKSA-N	1	0	360.421	1.994	20	30		FDEDRO
C=CCOCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCOC(C)C)C2)[C@@H]1C(C)C	ZINC001105612063	841932885	/nfs/dbraw/zinc/93/28/85/841932885.db2.gz	XHEGZNBFQLYKQH-JYBIWHBTSA-N	1	0	368.518	1.580	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc(C(N)=O)cn2C)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088707633	842127709	/nfs/dbraw/zinc/12/77/09/842127709.db2.gz	DTSIIJHYYJVVGK-DYVFJYSZSA-N	1	0	365.437	1.388	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cc(C)n[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105615600	842231057	/nfs/dbraw/zinc/23/10/57/842231057.db2.gz	YNVRPBQWCWWPBJ-LFGUQSLTSA-N	1	0	360.502	1.803	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)/C=C\C3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105615581	842231694	/nfs/dbraw/zinc/23/16/94/842231694.db2.gz	XUVUPYYVFVAQHD-DWFCMJTLSA-N	1	0	360.498	1.569	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)ccn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105618966	842234714	/nfs/dbraw/zinc/23/47/14/842234714.db2.gz	CMCDIPDALWDLFG-REHHDOPLSA-N	1	0	357.498	1.937	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3OCCCO3)[C@H]2C(C)C)C[C@H]1O	ZINC001105619659	842238636	/nfs/dbraw/zinc/23/86/36/842238636.db2.gz	OYLSEYCCEOZRCJ-YAJHFMINSA-N	1	0	364.486	1.129	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3OCCCO3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619657	842238813	/nfs/dbraw/zinc/23/88/13/842238813.db2.gz	OYLSEYCCEOZRCJ-SMOSDQRPSA-N	1	0	364.486	1.129	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncccc3O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619735	842239566	/nfs/dbraw/zinc/23/95/66/842239566.db2.gz	PZFOYSAVLUKEQT-ODZKNYGOSA-N	1	0	357.454	1.390	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)ncn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105620118	842241803	/nfs/dbraw/zinc/24/18/03/842241803.db2.gz	WTAOOKAFWIGKBP-MLYOOKFZSA-N	1	0	356.470	1.388	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nccn3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105622391	842246509	/nfs/dbraw/zinc/24/65/09/842246509.db2.gz	ADBCKVQFUNYAPD-VIPLHTEESA-N	1	0	358.486	1.506	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnnn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105623200	842250570	/nfs/dbraw/zinc/25/05/70/842250570.db2.gz	OBYTXUPTVBPHRL-NWGLXNPWSA-N	1	0	361.490	1.361	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(CC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105623679	842252380	/nfs/dbraw/zinc/25/23/80/842252380.db2.gz	SDTFOUNWCFEIRR-VYCZESIESA-N	1	0	361.490	1.454	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)C#CC(C)(C)C)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2	ZINC001105628873	842262466	/nfs/dbraw/zinc/26/24/66/842262466.db2.gz	YOQCGHVJJVVUTP-CIWUYKSXSA-N	1	0	350.503	1.384	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@H]1C(C)C	ZINC001105631577	842264748	/nfs/dbraw/zinc/26/47/48/842264748.db2.gz	DVYCSRZJGRWWQW-QQTQMKHKSA-N	1	0	352.519	1.937	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(CCOC)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105636657	842267709	/nfs/dbraw/zinc/26/77/09/842267709.db2.gz	AZMQBROPLDGHFZ-WWNBULGVSA-N	1	0	350.503	1.955	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CC)C3)[C@H]2C(C)C)CCOCC1	ZINC001105636775	842268674	/nfs/dbraw/zinc/26/86/74/842268674.db2.gz	DANRUMFFABXPJB-IKVWTGGYSA-N	1	0	362.514	1.793	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cnccc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105637641	842272732	/nfs/dbraw/zinc/27/27/32/842272732.db2.gz	SZJRQLPWKIRSLH-WKDRNLAYSA-N	1	0	369.509	1.922	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnc(OC)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105637823	842274545	/nfs/dbraw/zinc/27/45/45/842274545.db2.gz	WBUPMWJVYCEOQR-REHHDOPLSA-N	1	0	371.481	1.693	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnc(OC)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105637878	842274627	/nfs/dbraw/zinc/27/46/27/842274627.db2.gz	WYTZPIJOGJOQEK-PLOVASNDSA-N	1	0	371.481	1.693	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH]nc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105638016	842275395	/nfs/dbraw/zinc/27/53/95/842275395.db2.gz	YSRIGMDRBLCJHF-SOAMZJECSA-N	1	0	358.486	1.575	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn4c(n3)CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001105632668	842280558	/nfs/dbraw/zinc/28/05/58/842280558.db2.gz	MVQSKZSWJKMAAH-WELBPKCISA-N	1	0	370.497	1.432	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)nnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105633244	842281637	/nfs/dbraw/zinc/28/16/37/842281637.db2.gz	RKKMRDKYWVFUAL-BNDYYXHWSA-N	1	0	370.497	1.696	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cncc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105641451	842291964	/nfs/dbraw/zinc/29/19/64/842291964.db2.gz	BGYMECHGSMXHCC-IZBJGVDFSA-N	1	0	360.502	1.734	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(OC)nc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105641669	842296977	/nfs/dbraw/zinc/29/69/77/842296977.db2.gz	DCXXRVGDXNZHOY-ZJSJBZJDSA-N	1	0	371.481	1.693	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(COC)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105641697	842297137	/nfs/dbraw/zinc/29/71/37/842297137.db2.gz	DJNZGJXTKJBEPD-WWNBULGVSA-N	1	0	350.503	1.955	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(OC)ccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105645434	842395348	/nfs/dbraw/zinc/39/53/48/842395348.db2.gz	APOQKNVPYKGDQG-WERVVEIQSA-N	1	0	371.481	1.693	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CCOC)C3)[C@@H]2C(C)C)cc1	ZINC001105646380	842406623	/nfs/dbraw/zinc/40/66/23/842406623.db2.gz	JFBOBPIISYZPCT-XWSHUIEDSA-N	1	0	370.493	1.894	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(N)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105651433	842446634	/nfs/dbraw/zinc/44/66/34/842446634.db2.gz	HFSSAOKENLXTHB-YKTARERQSA-N	1	0	353.507	1.408	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc(C)n3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105652573	842447682	/nfs/dbraw/zinc/44/76/82/842447682.db2.gz	NLXVDSKFFPQZLH-UIXUWTQFSA-N	1	0	358.486	1.332	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)CNC(C)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105655317	842483422	/nfs/dbraw/zinc/48/34/22/842483422.db2.gz	HJYHVCPKMPNJMR-VIPLHTEESA-N	1	0	365.518	1.301	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C)c(=O)[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105656802	842488239	/nfs/dbraw/zinc/48/82/39/842488239.db2.gz	UAGYIIKCRHVTBB-RGPZOAQRSA-N	1	0	362.474	1.282	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C)[nH]c3=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105656873	842490256	/nfs/dbraw/zinc/49/02/56/842490256.db2.gz	USNOGEFSNXKYQI-DCXXXQMHSA-N	1	0	371.481	1.699	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCCC(=O)N2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088728846	842610631	/nfs/dbraw/zinc/61/06/31/842610631.db2.gz	CXMDRQAYJZHCIM-JLSDUUJJSA-N	1	0	354.454	1.696	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COc3cccnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105661144	842667356	/nfs/dbraw/zinc/66/73/56/842667356.db2.gz	FHGXYDVVLDWQPU-VURPSTOHSA-N	1	0	371.481	1.450	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCn3cccc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105661210	842677499	/nfs/dbraw/zinc/67/74/99/842677499.db2.gz	GAJQEAODLMKLPA-RMVXJAJNSA-N	1	0	357.498	1.868	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCc3ccncc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105662007	842732600	/nfs/dbraw/zinc/73/26/00/842732600.db2.gz	LYUNHHIMSAANQQ-RMVXJAJNSA-N	1	0	371.481	1.198	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCOCCCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105666097	843074208	/nfs/dbraw/zinc/07/42/08/843074208.db2.gz	CVBADZUQRMPWJM-HNBVOPMISA-N	1	0	366.502	1.029	20	30		FDEDRO
C=C[C@H](O)C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1	ZINC000667139390	843084231	/nfs/dbraw/zinc/08/42/31/843084231.db2.gz	IKHJSHQUIWEYJB-SFHVURJKSA-N	1	0	352.438	1.889	20	30		FDEDRO
C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@H]3CCC[C@@H]3C#N)c2)CC1	ZINC000461776298	843151013	/nfs/dbraw/zinc/15/10/13/843151013.db2.gz	XSUXLOCVTITYMG-AEFFLSMTSA-N	1	0	369.469	1.181	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(=O)n(CCOC)c3)[C@@H]2C1	ZINC001075985363	843234107	/nfs/dbraw/zinc/23/41/07/843234107.db2.gz	FVNIXMMKSFZGMW-FUHWJXTLSA-N	1	0	359.470	1.607	20	30		FDEDRO
N#C[C@@H]1CCC[C@@H]1NC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000461972151	843266676	/nfs/dbraw/zinc/26/66/76/843266676.db2.gz	YYDCLKUDTZBFFT-IRXDYDNUSA-N	1	0	371.489	1.370	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCCC(N)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105666763	843318152	/nfs/dbraw/zinc/31/81/52/843318152.db2.gz	JLUZUYNPOQQQOH-SMOSDQRPSA-N	1	0	363.502	1.022	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(Cc3ccc(C#N)s3)C[C@@H]2O)CC[N@@H+]1C	ZINC001083474576	843443320	/nfs/dbraw/zinc/44/33/20/843443320.db2.gz	OTGINFKAYKHOHY-HZMVEIRTSA-N	1	0	362.499	1.011	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn4cc[nH]c34)[C@H]2C(C)C)C[C@H]1O	ZINC001105667560	843654660	/nfs/dbraw/zinc/65/46/60/843654660.db2.gz	CGWZONJYCZSSKU-WWNBULGVSA-N	1	0	369.469	1.265	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC(=O)CC2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088772891	843693854	/nfs/dbraw/zinc/69/38/54/843693854.db2.gz	ONURNVHJDXEBQR-JLSDUUJJSA-N	1	0	354.454	1.554	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCc3cccnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105668276	843781489	/nfs/dbraw/zinc/78/14/89/843781489.db2.gz	IXDMFXJKONXYMA-QCFAMHMHSA-N	1	0	371.481	1.198	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCc3ccccc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105668305	843787050	/nfs/dbraw/zinc/78/70/50/843787050.db2.gz	JAERSVBCRYMFOF-KRXUUXHPSA-N	1	0	370.493	1.803	20	30		FDEDRO
CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@H]([NH2+]Cc2cc(C#N)n(C)c2)C1=O	ZINC000480283395	845001014	/nfs/dbraw/zinc/00/10/14/845001014.db2.gz	LFYVNHNUZGTPOS-DLBZAZTESA-N	1	0	374.485	1.954	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)Cc2cnoc2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088811158	845107894	/nfs/dbraw/zinc/10/78/94/845107894.db2.gz	OAMLAVFNKYFBID-KDOFPFPSSA-N	1	0	354.410	1.899	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCC(N)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105673520	845393599	/nfs/dbraw/zinc/39/35/99/845393599.db2.gz	MNMXEWXXQJGJAI-SMOSDQRPSA-N	1	0	365.518	1.574	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCOCCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105674525	845481389	/nfs/dbraw/zinc/48/13/89/845481389.db2.gz	YJMUHNSTVAKLSE-LFGUQSLTSA-N	1	0	366.502	1.029	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CN(c4ccccn4)C[C@H]3C)CCC[C@H]12	ZINC000990743456	845493508	/nfs/dbraw/zinc/49/35/08/845493508.db2.gz	RTRAGLUWFDQGNE-WIRSXHRWSA-N	1	0	352.482	1.900	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCC(N)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105674489	845495940	/nfs/dbraw/zinc/49/59/40/845495940.db2.gz	YAMVUGAYENTHNM-RGCFKVTRSA-N	1	0	351.491	1.184	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCCC(=O)NC)[C@H]2C(C)C)C[C@H]1O	ZINC001105675193	845670288	/nfs/dbraw/zinc/67/02/88/845670288.db2.gz	MMZFMPMCPUSNRB-YKCBXCCJSA-N	1	0	365.518	1.445	20	30		FDEDRO
C#CC[C@@H](CO)NC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000899125355	845828335	/nfs/dbraw/zinc/82/83/35/845828335.db2.gz	YQHDOBXBOQQFDU-WCIQWLHISA-N	1	0	355.482	1.971	20	30		FDEDRO
N#Cc1cccc([C@H](NC(=O)C2C[NH+]([C@H]3CCOC3)C2)C(F)(F)F)c1	ZINC000899186916	845921684	/nfs/dbraw/zinc/92/16/84/845921684.db2.gz	NQRYOMZHYFEWND-GJZGRUSLSA-N	1	0	353.344	1.999	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)C[C@@H]1O	ZINC001083526506	846414584	/nfs/dbraw/zinc/41/45/84/846414584.db2.gz	VSVSCZLFEIDXSO-FMKPAKJESA-N	1	0	353.413	1.884	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCc2ccc(C)cc2)C[C@@H]1O	ZINC001083535881	846923889	/nfs/dbraw/zinc/92/38/89/846923889.db2.gz	RTSSCYUXNGXTIR-HKBOAZHASA-N	1	0	369.509	1.187	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)Cc4ccc(=O)[nH]c4)[C@@H]3C2)c1	ZINC001076054651	847172456	/nfs/dbraw/zinc/17/24/56/847172456.db2.gz	PIDVUWWOHLANQI-RBUKOAKNSA-N	1	0	362.433	1.934	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCNC(=O)CC4)[C@@H]3C2)c1	ZINC001076087086	847230161	/nfs/dbraw/zinc/23/01/61/847230161.db2.gz	FPAJVUXZCQZSJY-GBESFXJTSA-N	1	0	366.465	1.507	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(C(N)=O)c3)C[C@H]21	ZINC001076262639	847718720	/nfs/dbraw/zinc/71/87/20/847718720.db2.gz	NYMCNZGEWDXMSF-MANSERQUSA-N	1	0	369.465	1.409	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)nn1	ZINC001076336056	847881764	/nfs/dbraw/zinc/88/17/64/847881764.db2.gz	IEHAIXOWCPTNRM-PKOBYXMFSA-N	1	0	362.437	1.682	20	30		FDEDRO
COc1cccc(CN(CC[NH+](C)C)C(=O)Cc2noc(C)c2C#N)c1	ZINC000482402058	847907368	/nfs/dbraw/zinc/90/73/68/847907368.db2.gz	PQOHJDANOVQULZ-UHFFFAOYSA-N	1	0	356.426	1.996	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](O)c4ccccc4)C[C@H]32)nc1	ZINC001076475811	848239776	/nfs/dbraw/zinc/23/97/76/848239776.db2.gz	GTIVBKCQXPNISU-CEWLAPEOSA-N	1	0	361.445	1.943	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(CC(=O)NC4CCCC4)C[C@H]32)cn1	ZINC001076476931	848241621	/nfs/dbraw/zinc/24/16/21/848241621.db2.gz	IGDQRCKMZIMNOS-QFBILLFUSA-N	1	0	366.465	1.268	20	30		FDEDRO
CC(=O)N1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1	ZINC001076508487	848285758	/nfs/dbraw/zinc/28/57/58/848285758.db2.gz	YAQIXUGKLBDJBL-XUVXKRRUSA-N	1	0	366.465	1.459	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C12CCC[NH+]1CCC2	ZINC001076739280	848909706	/nfs/dbraw/zinc/90/97/06/848909706.db2.gz	QCQFYERBHAHSFE-BBWFWOEESA-N	1	0	363.502	1.607	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1	ZINC001076757715	848946254	/nfs/dbraw/zinc/94/62/54/848946254.db2.gz	PYGWLZLWESCIBC-HLNWXESRSA-N	1	0	371.525	1.945	20	30		FDEDRO
C[C@@H](CCNC(=O)CC#Cc1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001076780425	849022681	/nfs/dbraw/zinc/02/26/81/849022681.db2.gz	FDDLCZQBQDFCPC-YQVWRLOYSA-N	1	0	355.482	1.779	20	30		FDEDRO
CCc1ccc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)cc1	ZINC001076898609	849283441	/nfs/dbraw/zinc/28/34/41/849283441.db2.gz	RFIXNLNCOCDMLZ-RTBURBONSA-N	1	0	352.438	1.466	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCC3(F)F)C[C@H]2O)c[nH]1	ZINC001076906285	849300569	/nfs/dbraw/zinc/30/05/69/849300569.db2.gz	UFGKVUUHRVJXAV-NWANDNLSSA-N	1	0	352.385	1.487	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1	ZINC000483152635	849336997	/nfs/dbraw/zinc/33/69/97/849336997.db2.gz	DNOIIHIJCBDLTK-WMZOPIPTSA-N	1	0	359.470	1.647	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O	ZINC001076986208	849477401	/nfs/dbraw/zinc/47/74/01/849477401.db2.gz	PCYLMUCFDWWZBM-HSALFYBXSA-N	1	0	355.482	1.072	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cc(OC)ccc2OC)C1	ZINC001076989268	849485668	/nfs/dbraw/zinc/48/56/68/849485668.db2.gz	YLSAQMASYYMTHR-DZOHQFGASA-N	1	0	360.454	1.545	20	30		FDEDRO
O=C(N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O)C12CCC[NH+](CCC1)C2	ZINC001083559982	849563188	/nfs/dbraw/zinc/56/31/88/849563188.db2.gz	LKHGBDHCLDUHEI-UXHICEINSA-N	1	0	367.493	1.075	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](C[C@H](OC)C2CCCC2)C[C@H]1O	ZINC001077138838	849873515	/nfs/dbraw/zinc/87/35/15/849873515.db2.gz	PMKYPLFUBUAYIG-QRQLOZEOSA-N	1	0	361.486	1.654	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1O	ZINC001083578390	850942456	/nfs/dbraw/zinc/94/24/56/850942456.db2.gz	JHIZZHVKEHVPQO-JQHSSLGASA-N	1	0	360.454	1.595	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)Cc1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1	ZINC000904081297	850946597	/nfs/dbraw/zinc/94/65/97/850946597.db2.gz	CIKVUUZQAYMGKV-INIZCTEOSA-N	1	0	356.426	1.931	20	30		FDEDRO
C[C@](O)(C[NH2+]CCNC(=O)C1N=CC=CC1=O)C(F)(F)C(F)(F)F	ZINC000905103735	851662064	/nfs/dbraw/zinc/66/20/64/851662064.db2.gz	LPGUAOAFRWYEAP-JUDLJHIGSA-N	1	0	357.279	1.051	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H]([NH2+]C[C@@H](O)CC3(O)CCCCC3)C2=O)cc1	ZINC000905230911	851738657	/nfs/dbraw/zinc/73/86/57/851738657.db2.gz	OQXZVZVIVDJXDD-RBUKOAKNSA-N	1	0	371.481	1.695	20	30		FDEDRO
C[C@](O)(C[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)C(F)(F)C(F)(F)F	ZINC000905255745	851779308	/nfs/dbraw/zinc/77/93/08/851779308.db2.gz	JHJLMVAKNVARQV-BDAKNGLRSA-N	1	0	374.272	1.788	20	30		FDEDRO
COc1ccc(-n2c(C)nnc2SCC(=O)NCC#CC[NH+](C)C)cc1	ZINC000913515323	862295360	/nfs/dbraw/zinc/29/53/60/862295360.db2.gz	RUEWLKSLEJQZHD-UHFFFAOYSA-N	1	0	373.482	1.358	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)CCNC(=O)c1ccc(Br)cc1	ZINC000913515333	862295848	/nfs/dbraw/zinc/29/58/48/862295848.db2.gz	SDRKDWHZWUHEKM-UHFFFAOYSA-N	1	0	366.259	1.250	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000913516475	862298894	/nfs/dbraw/zinc/29/88/94/862298894.db2.gz	RKLZKDBFMCQXIZ-QGZVFWFLSA-N	1	0	359.470	1.804	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1	ZINC000905447285	851925181	/nfs/dbraw/zinc/92/51/81/851925181.db2.gz	PMDUBTUVTLDYBK-NSHDSACASA-N	1	0	372.315	1.480	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2	ZINC000913517172	862300287	/nfs/dbraw/zinc/30/02/87/862300287.db2.gz	VVXBPVSHQNXGIN-UHFFFAOYSA-N	1	0	358.392	1.934	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@]2(c3ccccc3)C[C@@H](O)C2)cc1	ZINC000905540182	852003174	/nfs/dbraw/zinc/00/31/74/852003174.db2.gz	XLDOVGQDGMTBBQ-ZJOUEHCJSA-N	1	0	352.434	1.980	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]CCN2Cc3ccccc3OCC2=O)CCOCC1	ZINC000905517012	852009648	/nfs/dbraw/zinc/00/96/48/852009648.db2.gz	OWXBTCPCEAZTHL-KRWDZBQOSA-N	1	0	373.453	1.069	20	30		FDEDRO
Cc1cc(C(F)(F)F)nn1CC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1	ZINC000905520728	852012715	/nfs/dbraw/zinc/01/27/15/852012715.db2.gz	PBQXLYTYQLQPFY-ZDUSSCGKSA-N	1	0	360.380	1.871	20	30		FDEDRO
Cn1cc([C@@]2(C[NH2+]CCS(=O)(=O)c3ccc(C#N)cc3)CCCO2)cn1	ZINC000905687364	852179544	/nfs/dbraw/zinc/17/95/44/852179544.db2.gz	OPHLKNIJFFFCNX-SFHVURJKSA-N	1	0	374.466	1.361	20	30		FDEDRO
COC(=O)C[C@@H]1CC[C@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000905708956	852198006	/nfs/dbraw/zinc/19/80/06/852198006.db2.gz	DOCAYQSMWZDDDS-HIFRSBDPSA-N	1	0	350.440	1.653	20	30		FDEDRO
Cn1nc2c(c1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)CCC2	ZINC000906246304	852695637	/nfs/dbraw/zinc/69/56/37/852695637.db2.gz	RTVNXMPOHDMNSS-UHFFFAOYSA-N	1	0	351.454	1.984	20	30		FDEDRO
COC[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000906768782	853292053	/nfs/dbraw/zinc/29/20/53/853292053.db2.gz	JZOZVXYXMZWOHB-CYBMUJFWSA-N	1	0	362.455	1.078	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)C2(C(=O)OC(C)(C)C)CCOCC2)CC1	ZINC000906775083	853301329	/nfs/dbraw/zinc/30/13/29/853301329.db2.gz	NVQMKNXCWLVNCH-UHFFFAOYSA-N	1	0	364.486	1.729	20	30		FDEDRO
C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000486138594	853782562	/nfs/dbraw/zinc/78/25/62/853782562.db2.gz	RGZRTHZEQVUAAD-KDOFPFPSSA-N	1	0	354.454	1.933	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CC(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1	ZINC000907201720	853910469	/nfs/dbraw/zinc/91/04/69/853910469.db2.gz	CLVDIBUHVZEBQX-UHFFFAOYSA-N	1	0	371.481	1.403	20	30		FDEDRO
C[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc(Br)c(C#N)c2)C1	ZINC000907240647	853964160	/nfs/dbraw/zinc/96/41/60/853964160.db2.gz	YTUJWSYINMDCIM-SNVBAGLBSA-N	1	0	358.261	1.551	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1	ZINC000907663330	854480462	/nfs/dbraw/zinc/48/04/62/854480462.db2.gz	JMDMHOAZHIZWAD-INIZCTEOSA-N	1	0	358.490	1.371	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCCO2)C[C@H]1OC	ZINC001212148995	862588233	/nfs/dbraw/zinc/58/82/33/862588233.db2.gz	XIUIKFCRWDJEAY-IPMKNSEASA-N	1	0	366.502	1.581	20	30		FDEDRO
O=C(NO)c1ccc(CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cc1	ZINC000907812684	854680574	/nfs/dbraw/zinc/68/05/74/854680574.db2.gz	OZHKGCSORTWGTH-MRXNPFEDSA-N	1	0	363.483	1.639	20	30		FDEDRO
C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000908161166	855098799	/nfs/dbraw/zinc/09/87/99/855098799.db2.gz	DGRZLBJATJJALH-IFXJQAMLSA-N	1	0	361.417	1.522	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)[C@]3(C#N)CC4CCC3CC4)CC2)C1=O	ZINC000908185412	855154328	/nfs/dbraw/zinc/15/43/28/855154328.db2.gz	OTCCFZHCXNUOTK-OVSDUUTQSA-N	1	0	358.486	1.518	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CC2)c1C#N	ZINC000908284337	855267465	/nfs/dbraw/zinc/26/74/65/855267465.db2.gz	CFJVBUDXQYCMNK-ZBFHGGJFSA-N	1	0	359.499	1.989	20	30		FDEDRO
Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	ZINC000908630480	855629933	/nfs/dbraw/zinc/62/99/33/855629933.db2.gz	RXCRCFLRZSBHDZ-BEFAXECRSA-N	1	0	352.442	1.654	20	30		FDEDRO
C=CCn1c(-c2ncnc3[nH]cnc32)nnc1N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1	ZINC000908715796	855720336	/nfs/dbraw/zinc/72/03/36/855720336.db2.gz	URTOHPJLYFUPIM-QWHCGFSZSA-N	1	0	365.445	1.279	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1	ZINC000487581704	856484416	/nfs/dbraw/zinc/48/44/16/856484416.db2.gz	JXPZRDJGLFJJGA-ROUUACIJSA-N	1	0	360.433	1.874	20	30		FDEDRO
C#CCCCc1nnc(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)n1C[C@@H]1CCCO1	ZINC000909770137	856518451	/nfs/dbraw/zinc/51/84/51/856518451.db2.gz	GRWPEUJORATUKA-OKZBNKHCSA-N	1	0	357.502	1.943	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2cc(C)ccc2C)C[C@H]1OC	ZINC001212152717	862806718	/nfs/dbraw/zinc/80/67/18/862806718.db2.gz	YXCXXHGDGNMSJT-QXAKKESOSA-N	1	0	371.481	1.319	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1	ZINC000487806319	856745200	/nfs/dbraw/zinc/74/52/00/856745200.db2.gz	XMJORFXNCWZMKK-BZSNNMDCSA-N	1	0	364.534	1.332	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)[C@]2(C#N)CC3CCC2CC3)(N2CCOCC2)CC1	ZINC000910409133	857167462	/nfs/dbraw/zinc/16/74/62/857167462.db2.gz	OLPUBOKHGFFTRP-NGICGMGXSA-N	1	0	374.529	1.619	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1	ZINC000488225913	857390887	/nfs/dbraw/zinc/39/08/87/857390887.db2.gz	ZIXUWATXIYNJBZ-IAGOWNOFSA-N	1	0	364.534	1.474	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)Cc2ccc(F)cc2C)CC1	ZINC000668836460	857519520	/nfs/dbraw/zinc/51/95/20/857519520.db2.gz	ZDPGJZMZVKBJCF-OAHLLOKOSA-N	1	0	361.461	1.948	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2c(OC)cccc2OC)CC1	ZINC000668836043	857526393	/nfs/dbraw/zinc/52/63/93/857526393.db2.gz	OXYSMGSJYQCSLC-UHFFFAOYSA-N	1	0	361.442	1.087	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)CO)CC1	ZINC000668842252	857715496	/nfs/dbraw/zinc/71/54/96/857715496.db2.gz	JZVVMADFSRXPMH-DOTOQJQBSA-N	1	0	351.491	1.153	20	30		FDEDRO
C#CCN(C(=O)C(=O)N(C)Cc1ccc(OC)cc1)C1CC[NH+](C)CC1	ZINC000910887372	857841059	/nfs/dbraw/zinc/84/10/59/857841059.db2.gz	RJXJIAHJXDYKEV-UHFFFAOYSA-N	1	0	357.454	1.210	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCC(O)(CNC(=O)OC(C)(C)C)CC1	ZINC000910936965	857891929	/nfs/dbraw/zinc/89/19/29/857891929.db2.gz	PYTXFXCUPPIZCD-UHFFFAOYSA-N	1	0	355.479	1.373	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@H]2CC[C@]21C[NH3+]	ZINC000911001208	858017356	/nfs/dbraw/zinc/01/73/56/858017356.db2.gz	KGNGWMXUFLEAAJ-JXFKEZNVSA-N	1	0	357.454	1.598	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N1CCC(C[NH3+])(c2ccccc2)CC1	ZINC000911072003	858112992	/nfs/dbraw/zinc/11/29/92/858112992.db2.gz	FTUQNEAAAPKJET-UHFFFAOYSA-N	1	0	361.511	1.541	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1)c1ccc(C#N)cc1	ZINC000911133037	858196924	/nfs/dbraw/zinc/19/69/24/858196924.db2.gz	DMFJMPMREDCJSW-ZLKJLUDKSA-N	1	0	368.359	1.474	20	30		FDEDRO
C=C(C)Cn1c(-c2cc[nH]n2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000669335553	863009328	/nfs/dbraw/zinc/00/93/28/863009328.db2.gz	NEKXZBAPPQGDRS-OAHLLOKOSA-N	1	0	357.462	1.545	20	30		FDEDRO
C=CCC[C@H](NC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1)c1ccccc1	ZINC000911230669	858378626	/nfs/dbraw/zinc/37/86/26/858378626.db2.gz	QFXBMQMOMUTUIZ-KRWDZBQOSA-N	1	0	359.470	1.776	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc1C#N	ZINC000911435816	858617899	/nfs/dbraw/zinc/61/78/99/858617899.db2.gz	PNHPTWAGNWQYOX-FQEVSTJZSA-N	1	0	356.470	1.706	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21	ZINC000911576825	858801590	/nfs/dbraw/zinc/80/15/90/858801590.db2.gz	BAEZADZVQZSWRO-JXFKEZNVSA-N	1	0	373.453	1.020	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C)[C@H](C)C2)cc1	ZINC000994244860	881354098	/nfs/dbraw/zinc/35/40/98/881354098.db2.gz	MGVUITFAGJJYEO-AHRSYUTCSA-N	1	0	367.493	1.977	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[C@@H]4[NH2+]3)CC2)c1	ZINC000911635679	858872415	/nfs/dbraw/zinc/87/24/15/858872415.db2.gz	KVDANLXYHUAWGZ-BZSNNMDCSA-N	1	0	353.470	1.913	20	30		FDEDRO
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C1CCC([NH+]2CCOCC2)CC1	ZINC000911873601	859079721	/nfs/dbraw/zinc/07/97/21/859079721.db2.gz	VGMUFUXVDAPMDS-UUKMXZOPSA-N	1	0	371.481	1.941	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)CC3(O)CCOCC3)CC2)c1	ZINC000911921383	859110831	/nfs/dbraw/zinc/11/08/31/859110831.db2.gz	HBKZMZRXCLTRCU-UHFFFAOYSA-N	1	0	357.454	1.570	20	30		FDEDRO
C[NH+]1CCC(N(CCO)C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000911943027	859140152	/nfs/dbraw/zinc/14/01/52/859140152.db2.gz	SVZWVNKHWSPZKJ-MRXNPFEDSA-N	1	0	374.460	1.439	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc3c([nH]2)CCC3)C[C@H]1C	ZINC001106864666	881397524	/nfs/dbraw/zinc/39/75/24/881397524.db2.gz	WBXNKDCIMYAFAS-IIAWOOMASA-N	1	0	358.486	1.492	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@]1(C(=O)OC)CCC[N@H+](Cc2ccccc2)C1	ZINC000912037026	859251369	/nfs/dbraw/zinc/25/13/69/859251369.db2.gz	IYISXIFHPFVZQA-WOJBJXKFSA-N	1	0	360.454	1.638	20	30		FDEDRO
C=CCCC[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1	ZINC000912065873	859286401	/nfs/dbraw/zinc/28/64/01/859286401.db2.gz	PZWALZGUCJPOLS-QGZVFWFLSA-N	1	0	365.499	1.344	20	30		FDEDRO
C=CCC1(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CN(C(=O)OC(C)(C)C)C1	ZINC000912053878	859302797	/nfs/dbraw/zinc/30/27/97/859302797.db2.gz	DWWBLMQCHMPPMP-LSDHHAIUSA-N	1	0	365.474	1.077	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)CCC[C@@H]12	ZINC000991382149	859700738	/nfs/dbraw/zinc/70/07/38/859700738.db2.gz	FQRRDDJUKXELPN-NYTXWWLZSA-N	1	0	360.376	1.469	20	30		FDEDRO
N#Cc1cccc(C2(NC(=O)C3C[NH+]([C@@H]4CCOC4)C3)CCOCC2)c1	ZINC000912515288	859838324	/nfs/dbraw/zinc/83/83/24/859838324.db2.gz	UMZSSDWZZFCBGN-GOSISDBHSA-N	1	0	355.438	1.401	20	30		FDEDRO
C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	ZINC000668992031	860040830	/nfs/dbraw/zinc/04/08/30/860040830.db2.gz	KKNQMMLLGADUHU-IRXDYDNUSA-N	1	0	364.534	1.380	20	30		FDEDRO
COC(=O)c1cc(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)ccc1OC	ZINC000912761395	860183668	/nfs/dbraw/zinc/18/36/68/860183668.db2.gz	RFFOENWLIOLHJG-MRXNPFEDSA-N	1	0	370.405	1.883	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCc2nccnc2C1	ZINC000669030687	860278319	/nfs/dbraw/zinc/27/83/19/860278319.db2.gz	RQCZCYOALISZRM-PBHICJAKSA-N	1	0	367.457	1.353	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C[C@H]1C	ZINC001106872080	881592564	/nfs/dbraw/zinc/59/25/64/881592564.db2.gz	DRXCRSAVDKBCOG-JHJVBQTASA-N	1	0	364.446	1.549	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C)o2)C[C@H]1C	ZINC001105792637	863214459	/nfs/dbraw/zinc/21/44/59/863214459.db2.gz	RPPOWWNOUHRZMW-GDBMZVCRSA-N	1	0	360.458	1.648	20	30		FDEDRO
CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccc(F)cc2)[C@H](C)C1	ZINC001105793452	863217489	/nfs/dbraw/zinc/21/74/89/863217489.db2.gz	GXOMWWJNASOISB-RVKKMQEKSA-N	1	0	359.445	1.386	20	30		FDEDRO
CC(=O)N[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)c(C#N)c2)[C@H](C)C1	ZINC001105793518	863219214	/nfs/dbraw/zinc/21/92/14/863219214.db2.gz	IZXKBJWPLQIBLS-PBFPGSCMSA-N	1	0	360.433	1.406	20	30		FDEDRO
C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C[NH2+]CC#Cc1ccc(Cl)cc1	ZINC001105810960	863325038	/nfs/dbraw/zinc/32/50/38/863325038.db2.gz	GVSKJIZEARIDSJ-UKRRQHHQSA-N	1	0	362.861	1.044	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCC)C[C@H]1C	ZINC001105840174	863437843	/nfs/dbraw/zinc/43/78/43/863437843.db2.gz	CAQYXBNDOJEDRL-QLFBSQMISA-N	1	0	352.479	1.261	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+][C@H]1CCN(C(C)(C)C)C1=O	ZINC001105846174	863476394	/nfs/dbraw/zinc/47/63/94/863476394.db2.gz	KYHPWZZGADPIAN-KFWWJZLASA-N	1	0	366.531	1.327	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C	ZINC001105848264	863493832	/nfs/dbraw/zinc/49/38/32/863493832.db2.gz	SAROOBNYAMQDBN-HZPDHXFCSA-N	1	0	364.515	1.128	20	30		FDEDRO
CCCCc1noc(C[NH2+]C[C@@H]2CN(C(=O)CSCC#N)C[C@H]2C)n1	ZINC001105849195	863497001	/nfs/dbraw/zinc/49/70/01/863497001.db2.gz	KBAYCDHZYNNQPB-ZIAGYGMSSA-N	1	0	365.503	1.853	20	30		FDEDRO
CCCc1noc(C[NH2+]C[C@@H]2CN(C(=O)CSCC#N)C[C@H]2C)n1	ZINC001105849264	863497570	/nfs/dbraw/zinc/49/75/70/863497570.db2.gz	MPMJRCFGLYJHOI-CHWSQXEVSA-N	1	0	351.476	1.463	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CC[N@@H+](C)C1	ZINC001004816854	881679548	/nfs/dbraw/zinc/67/95/48/881679548.db2.gz	NHWWRDCUUNNDAT-NMLBUPMWSA-N	1	0	365.477	1.410	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CC(F)(F)F)C[C@H]1C	ZINC001105893038	863727495	/nfs/dbraw/zinc/72/74/95/863727495.db2.gz	TUAXBBMGRAJCPS-CHWSQXEVSA-N	1	0	362.396	1.385	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)C#CC(C)(C)C)CC[N@@H+]1C	ZINC001061575413	881690238	/nfs/dbraw/zinc/69/02/38/881690238.db2.gz	QDHCLDOWQNBMHS-IXDOHACOSA-N	1	0	363.502	1.110	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2ccc3c(c2)nnn3C)[C@H](C)C1	ZINC001105942178	864166827	/nfs/dbraw/zinc/16/68/27/864166827.db2.gz	AKAPXKCGUUOUEK-GDBMZVCRSA-N	1	0	357.458	1.355	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccc(F)c(F)c2)[C@H](C)C1	ZINC001105946046	864188603	/nfs/dbraw/zinc/18/86/03/864188603.db2.gz	JPNCXUDVKNLDTR-YNEHKIRRSA-N	1	0	364.396	1.747	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccc(F)cc2F)[C@H](C)C1	ZINC001105946724	864191507	/nfs/dbraw/zinc/19/15/07/864191507.db2.gz	ZXGLNIGCUCKMGI-JHJVBQTASA-N	1	0	364.396	1.747	20	30		FDEDRO
Cc1ccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)cc1F	ZINC001105951326	864209486	/nfs/dbraw/zinc/20/94/86/864209486.db2.gz	BNXIVKBTGUGJBC-RBSFLKMASA-N	1	0	360.433	1.916	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]CC(=O)NCc1ccco1	ZINC001105985982	864355914	/nfs/dbraw/zinc/35/59/14/864355914.db2.gz	XRCSGNCFNVUBMR-UKRRQHHQSA-N	1	0	369.425	1.093	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1	ZINC000658475501	864455408	/nfs/dbraw/zinc/45/54/08/864455408.db2.gz	XNJVKJCWGZWLQC-UHFFFAOYSA-N	1	0	365.518	1.810	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C=C(CC)CC)C[C@H]1C	ZINC001106011671	864643298	/nfs/dbraw/zinc/64/32/98/864643298.db2.gz	XGGCPYRBGQLTTG-GDBMZVCRSA-N	1	0	364.490	1.429	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CCC#N)[C@H](C)C1	ZINC001106026135	864811841	/nfs/dbraw/zinc/81/18/41/864811841.db2.gz	XNZMXTGGTHBVDW-QZTJIDSGSA-N	1	0	360.502	1.626	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]CC[C@H]2CCCC2(F)F)[C@H](C)C1	ZINC001106035840	864911184	/nfs/dbraw/zinc/91/11/84/864911184.db2.gz	ZWUQHKISYHTWLF-BZUAXINKSA-N	1	0	369.456	1.636	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2ccccc2F)[C@H](C)C1	ZINC001106033441	864923941	/nfs/dbraw/zinc/92/39/41/864923941.db2.gz	QEOUFZYYRSFMJN-OWCLPIDISA-N	1	0	359.445	1.710	20	30		FDEDRO
CNC(=O)CC(=O)N1C[C@@H](C[NH2+]CC#Cc2cccc(Cl)c2)[C@H](C)C1	ZINC001106049531	865010205	/nfs/dbraw/zinc/01/02/05/865010205.db2.gz	CFBAMLZXCNJRTM-GDBMZVCRSA-N	1	0	361.873	1.512	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NCCCC)[C@H](C)C1	ZINC001106056971	865052269	/nfs/dbraw/zinc/05/22/69/865052269.db2.gz	NGDHBOVSOGGBEJ-HZPDHXFCSA-N	1	0	364.490	1.100	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C(N)=O)cc2)[C@H](C)C1	ZINC001106059211	865069258	/nfs/dbraw/zinc/06/92/58/865069258.db2.gz	PIGQAUIJQVMGMN-ZTQAJYAQSA-N	1	0	359.470	1.297	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)(C)CC)[C@H](C)C1	ZINC001106059161	865069315	/nfs/dbraw/zinc/06/93/15/865069315.db2.gz	NXKBLNADICWEMD-SPYBWZPUSA-N	1	0	353.507	1.302	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccccc2)[C@H](C)C1	ZINC001106059335	865069931	/nfs/dbraw/zinc/06/99/31/865069931.db2.gz	SAGJEAKZYPOORH-QINHECLXSA-N	1	0	359.470	1.636	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCCCC2)[C@H](C)C1	ZINC001106058505	865071311	/nfs/dbraw/zinc/07/13/11/865071311.db2.gz	BXYGYZSKHFMXQV-HLIPFELVSA-N	1	0	365.518	1.400	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CCNC(=O)NC(C)(C)C)[C@H](C)C1	ZINC001106065064	865104993	/nfs/dbraw/zinc/10/49/93/865104993.db2.gz	OGGMOMPAMXIHCX-SPYBWZPUSA-N	1	0	368.522	1.095	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc3nonc3c2)[C@H](C)C1	ZINC001106065053	865105898	/nfs/dbraw/zinc/10/58/98/865105898.db2.gz	NWXXABVUOKZMDN-MUKKUYKPSA-N	1	0	358.442	1.734	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)c2nccs2)[C@H](C)C1	ZINC001106065890	865115252	/nfs/dbraw/zinc/11/52/52/865115252.db2.gz	LWJVARYNUCMPJZ-HUUCEWRRSA-N	1	0	362.499	1.594	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+][C@H]2CCN(c3ccn(C)n3)C2=O)[C@H](C)C1	ZINC001106066060	865122058	/nfs/dbraw/zinc/12/20/58/865122058.db2.gz	RTNHBDDSTLUQAW-ZACQAIPSSA-N	1	0	371.485	1.013	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1C	ZINC001106874786	881861827	/nfs/dbraw/zinc/86/18/27/881861827.db2.gz	SPSQINNFVUAWID-DGCLKSJQSA-N	1	0	355.280	1.555	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](C[C@H](O)C3CCCCC3)[C@@H]2C)nn1	ZINC001088907127	865370800	/nfs/dbraw/zinc/37/08/00/865370800.db2.gz	AMYXEDUBVBLACD-HFTRVMKXSA-N	1	0	361.490	1.598	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3N(C)C)[C@@H]2C)nn1	ZINC001088907565	865374590	/nfs/dbraw/zinc/37/45/90/865374590.db2.gz	ZTTIUUXLBKHWCP-WBVHZDCISA-N	1	0	368.485	1.923	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](CCC[C@@H]3CCOC3)[C@@H]2C)nn1	ZINC001088911166	865400130	/nfs/dbraw/zinc/40/01/30/865400130.db2.gz	BOLAEDHXAKUFRV-ZACQAIPSSA-N	1	0	361.490	1.864	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1	ZINC000947340039	865458451	/nfs/dbraw/zinc/45/84/51/865458451.db2.gz	RINKRCQCZFPHIZ-SQNIBIBYSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](O)C(C)C)C[C@H]1C	ZINC001106077885	865593376	/nfs/dbraw/zinc/59/33/76/865593376.db2.gz	XCKLGJJTPHDUPT-JFIYKMOQSA-N	1	0	353.507	1.112	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)c2C)C[C@H]1OC	ZINC001212194023	866046639	/nfs/dbraw/zinc/04/66/39/866046639.db2.gz	MXFFGOAOUXUNNB-YVWKXTFCSA-N	1	0	362.470	1.646	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)c2C)C[C@H]1OC	ZINC001212194022	866047227	/nfs/dbraw/zinc/04/72/27/866047227.db2.gz	MXFFGOAOUXUNNB-POAQFYNOSA-N	1	0	362.470	1.646	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(C)CCC2)C3)CC1	ZINC001004978495	881950258	/nfs/dbraw/zinc/95/02/58/881950258.db2.gz	QTDYHYRPSMTBQY-KURKYZTESA-N	1	0	357.498	1.770	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC3CCOCC3)[C@@H]2C)CC1	ZINC001089059308	866384142	/nfs/dbraw/zinc/38/41/42/866384142.db2.gz	HUIZXVVUSISCHC-XLIONFOSSA-N	1	0	361.530	1.727	20	30		FDEDRO
C#CCN(CC#C)CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1	ZINC000174530121	866562611	/nfs/dbraw/zinc/56/26/11/866562611.db2.gz	JZODKFJYMNRQOZ-NRFANRHFSA-N	1	0	367.493	1.907	20	30		FDEDRO
CC[C@H](C)[NH+]1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1	ZINC000456562478	866967450	/nfs/dbraw/zinc/96/74/50/866967450.db2.gz	VPOWWNDBKDVWIW-AWEZNQCLSA-N	1	0	352.442	1.882	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCc2ccc(C#N)c(F)c2)CC1=O	ZINC000456848102	867102477	/nfs/dbraw/zinc/10/24/77/867102477.db2.gz	WEINPNQYWMXZPG-DLBZAZTESA-N	1	0	372.444	1.646	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1	ZINC000994288079	882056927	/nfs/dbraw/zinc/05/69/27/882056927.db2.gz	WJAXETJWFKIAGC-RHSMWYFYSA-N	1	0	350.422	1.572	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)[C@H](OC)C2)CC1	ZINC000946775688	882068604	/nfs/dbraw/zinc/06/86/04/882068604.db2.gz	NRULPRSLLFXOFR-CGTJXYLNSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1	ZINC000992032137	867302196	/nfs/dbraw/zinc/30/21/96/867302196.db2.gz	PCCAMYJWKWSXHB-NJAFHUGGSA-N	1	0	363.502	1.273	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)C2C[NH+](C3CCCCC3)C2)CC1	ZINC000457390675	867462767	/nfs/dbraw/zinc/46/27/67/867462767.db2.gz	ACCGDOOWKXIDOY-UHFFFAOYSA-N	1	0	353.470	1.866	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c[nH]c(C#N)c1)C2	ZINC001112311420	867662799	/nfs/dbraw/zinc/66/27/99/867662799.db2.gz	MMQMAAJMJZFGCU-YWZLYKJASA-N	1	0	371.485	1.633	20	30		FDEDRO
Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCCn1cnc(C#N)n1)[NH+](C)C	ZINC000508846857	867759024	/nfs/dbraw/zinc/75/90/24/867759024.db2.gz	AJXBVUYTBHCHMZ-RHSMWYFYSA-N	1	0	355.446	1.449	20	30		FDEDRO
CCOc1cccc(CNC(=O)CON=C(N)C[N@@H+]2CCCC[C@H]2C)c1	ZINC000151531794	867993273	/nfs/dbraw/zinc/99/32/73/867993273.db2.gz	LWYHWOMJIXHHSX-OAHLLOKOSA-N	1	0	362.474	1.865	20	30		FDEDRO
CC[C@H]1CN(C(=O)NCc2ccc(C#N)c(OC)c2)CC[N@@H+]1C[C@H](C)O	ZINC000462480496	868002563	/nfs/dbraw/zinc/00/25/63/868002563.db2.gz	MQYMTXAHUVXTHA-YOEHRIQHSA-N	1	0	360.458	1.553	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCc3ccc(OC)cc3)C[C@H]2O)cc1	ZINC001077496167	868009456	/nfs/dbraw/zinc/00/94/56/868009456.db2.gz	JGXMQJXPFYMDKD-NHCUHLMSSA-N	1	0	364.445	1.694	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[C@H](C(=O)N4CCCC4)O3)CCC[C@H]12	ZINC000992167947	868118567	/nfs/dbraw/zinc/11/85/67/868118567.db2.gz	LVOHAKOPVCNMAN-CLWJZODNSA-N	1	0	361.486	1.456	20	30		FDEDRO
CCOCCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1C	ZINC001106105069	868136799	/nfs/dbraw/zinc/13/67/99/868136799.db2.gz	LFKMOWGNSYLQGH-FGTMMUONSA-N	1	0	365.518	1.261	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C)C(=O)NC1CCCCC1	ZINC001106106029	868165178	/nfs/dbraw/zinc/16/51/78/868165178.db2.gz	DOBRJWULZNMBGH-SOLBZPMBSA-N	1	0	359.514	1.921	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1[N@H+](CC(=O)N(C)C1CC1)CC2	ZINC000992179771	868183743	/nfs/dbraw/zinc/18/37/43/868183743.db2.gz	NQQXSVBKDLSGDL-NHAYFPRASA-N	1	0	361.486	1.312	20	30		FDEDRO
C[C@H](C1CC1)N(C(=O)C[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C)C1CC1	ZINC001106106294	868185699	/nfs/dbraw/zinc/18/56/99/868185699.db2.gz	QPKLQJRCXYRUMY-GPMSIDNRSA-N	1	0	371.525	1.873	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CC[N@H+](CCc3nnnn3-c3ccccc3)C2)nc1	ZINC000428805005	868342615	/nfs/dbraw/zinc/34/26/15/868342615.db2.gz	IHWNHEOSEGWRQM-KRWDZBQOSA-N	1	0	361.409	1.625	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(NC(=O)[C@H]4C[C@H]4C(N)=O)CCC[C@@H]23)c(F)c1	ZINC000992211695	868382058	/nfs/dbraw/zinc/38/20/58/868382058.db2.gz	RWRLZEXMSWZDHV-MJEZEWASSA-N	1	0	370.428	1.432	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)(C)CC)[C@H](C)C1	ZINC001106111685	868397771	/nfs/dbraw/zinc/39/77/71/868397771.db2.gz	OXUOPMFGEOWYOO-BZUAXINKSA-N	1	0	351.491	1.014	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]2CC1	ZINC000946788159	882189495	/nfs/dbraw/zinc/18/94/95/882189495.db2.gz	LYGSYVQYHKKHTP-XDNAFOTISA-N	1	0	359.474	1.040	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(CC)CC)[C@H](C)C1	ZINC001106116414	868573691	/nfs/dbraw/zinc/57/36/91/868573691.db2.gz	COEJCAPAPGQSGG-HZPDHXFCSA-N	1	0	351.491	1.015	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]CCOc2ccc(F)cc2)[C@H](C)C1	ZINC001106117125	868578026	/nfs/dbraw/zinc/57/80/26/868578026.db2.gz	GUAKCNJRFVJZQB-IAGOWNOFSA-N	1	0	362.445	1.929	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)Nc2ccccc2)[C@H](C)C1	ZINC001106117358	868593719	/nfs/dbraw/zinc/59/37/19/868593719.db2.gz	NUYWWTHWQROWPM-FGTMMUONSA-N	1	0	371.481	1.738	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@H](C)CCC)[C@H](C)C1	ZINC001106117315	868594071	/nfs/dbraw/zinc/59/40/71/868594071.db2.gz	LKKYFQPZOZJSGG-BRWVUGGUSA-N	1	0	351.491	1.015	20	30		FDEDRO
CN(C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC001033295328	882246314	/nfs/dbraw/zinc/24/63/14/882246314.db2.gz	SYAQJHAYIYBWDL-LWYYNNOASA-N	1	0	369.465	1.642	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)c(C)c2)C[C@@H]1O	ZINC001083853105	882277071	/nfs/dbraw/zinc/27/70/71/882277071.db2.gz	CKOSYQMAAFNBRE-YRPNKDGESA-N	1	0	358.482	1.946	20	30		FDEDRO
C[NH+](C)CC1(O)CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000913676726	869353562	/nfs/dbraw/zinc/35/35/62/869353562.db2.gz	IIXLGZYBNAKLHW-INIZCTEOSA-N	1	0	374.460	1.439	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+]([C@@H](CC)C(N)=O)C[C@H]2CC1	ZINC000946815506	882326246	/nfs/dbraw/zinc/32/62/46/882326246.db2.gz	BTHHXJFYSBRJNN-ADHGMGHFSA-N	1	0	363.502	1.402	20	30		FDEDRO
Cc1cc(C[NH2+]Cc2ccc(C(=O)N3CCNC(=O)C3)cc2)ccc1C#N	ZINC000443973868	870162894	/nfs/dbraw/zinc/16/28/94/870162894.db2.gz	QEQGTUCKJSTUDX-UHFFFAOYSA-N	1	0	362.433	1.729	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000913977004	870188765	/nfs/dbraw/zinc/18/87/65/870188765.db2.gz	DGDUJOFUECARNV-HOTGVXAUSA-N	1	0	350.507	1.271	20	30		FDEDRO
C#CCN(C(=O)NC1CCN(C(=O)c2ccco2)CC1)C1CC[NH+](C)CC1	ZINC000913983552	870221003	/nfs/dbraw/zinc/22/10/03/870221003.db2.gz	QCYCBIASFAVIEH-UHFFFAOYSA-N	1	0	372.469	1.623	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2csc([C@@H](C)OC)n2)C[C@H]1C	ZINC001106136134	870379536	/nfs/dbraw/zinc/37/95/36/870379536.db2.gz	SZUHGNYVZFLVHE-RBSFLKMASA-N	1	0	365.499	1.798	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCc1cccc(C#N)c1)C2	ZINC000914051323	870480616	/nfs/dbraw/zinc/48/06/16/870480616.db2.gz	KFLSGHBHCOUCOS-XSYGEPLQSA-N	1	0	356.470	1.837	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@]3(C)C2)nc1	ZINC000992685517	871317387	/nfs/dbraw/zinc/31/73/87/871317387.db2.gz	DOHMIYHHMWVOHI-BLIXFSHQSA-N	1	0	366.465	1.078	20	30		FDEDRO
CCc1nccn1[C@@H](C)CC(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1	ZINC001106149246	871390491	/nfs/dbraw/zinc/39/04/91/871390491.db2.gz	ATOBXZOMOGZFEU-FGTMMUONSA-N	1	0	360.502	1.731	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H]2CCCN(C(=O)OC)C2)CC1	ZINC000922048390	871525546	/nfs/dbraw/zinc/52/55/46/871525546.db2.gz	GCGSZUBATMXFTQ-HUUCEWRRSA-N	1	0	350.463	1.250	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CC2)[C@H](C)C1	ZINC001106177294	871610738	/nfs/dbraw/zinc/61/07/38/871610738.db2.gz	WGVCUIGIRGKJNQ-IUODEOHRSA-N	1	0	355.910	1.975	20	30		FDEDRO
CC(C)(C#N)CS(=O)(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000914174542	871680133	/nfs/dbraw/zinc/68/01/33/871680133.db2.gz	APEJQVZTAKBXKL-QGZVFWFLSA-N	1	0	351.472	1.093	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1	ZINC000922082748	871928687	/nfs/dbraw/zinc/92/86/87/871928687.db2.gz	WMUMMSJOKBZXIT-DOMZBBRYSA-N	1	0	356.879	1.765	20	30		FDEDRO
C#CCN(C(=O)NCC(=O)N(C)Cc1ccccc1)C1CC[NH+](C)CC1	ZINC000914270631	872096233	/nfs/dbraw/zinc/09/62/33/872096233.db2.gz	ZUTTVOVLVDTQHD-UHFFFAOYSA-N	1	0	356.470	1.384	20	30		FDEDRO
C[C@@H]1CN(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C[C@H](C)N1CC#N	ZINC000914299273	872230822	/nfs/dbraw/zinc/23/08/22/872230822.db2.gz	PMCIIMUJNDYFOD-ZIFCJYIRSA-N	1	0	357.502	1.787	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2cccc(N3CCOC3=O)c2)CC1	ZINC000914318022	872348670	/nfs/dbraw/zinc/34/86/70/872348670.db2.gz	NQSAAOQQSQMJFH-UHFFFAOYSA-N	1	0	356.426	1.540	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2cc(F)ccc2N2CCOCC2)CC1	ZINC000265815301	872490729	/nfs/dbraw/zinc/49/07/29/872490729.db2.gz	RAUBQDFXWXLUTM-UHFFFAOYSA-N	1	0	359.445	1.624	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CN2CCCCC2=O)[C@H](OC)C1	ZINC001212502474	872703421	/nfs/dbraw/zinc/70/34/21/872703421.db2.gz	DYWAWOOPKVRPQK-IAGOWNOFSA-N	1	0	351.491	1.561	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2c(C)cc(C#N)cc2C)C1	ZINC000914407406	872755534	/nfs/dbraw/zinc/75/55/34/872755534.db2.gz	JUSUVABDEQDQOF-MRXNPFEDSA-N	1	0	351.472	1.315	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCN(CCO)C(C)(C)C1	ZINC000914412650	872769077	/nfs/dbraw/zinc/76/90/77/872769077.db2.gz	XVHQKFXAUWQRPS-UHFFFAOYSA-N	1	0	365.499	1.393	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1)[NH+]1CCCC1	ZINC000992894759	873105060	/nfs/dbraw/zinc/10/50/60/873105060.db2.gz	FWQJRBFJOIKEGI-RCZSKKKRSA-N	1	0	371.525	1.827	20	30		FDEDRO
N#Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2)cc1	ZINC001003364560	873182519	/nfs/dbraw/zinc/18/25/19/873182519.db2.gz	IDQSOTCPCOJAFL-YSIASYRMSA-N	1	0	369.465	1.690	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(C#N)[nH]1	ZINC001003356085	873191816	/nfs/dbraw/zinc/19/18/16/873191816.db2.gz	NLAAFEZYSIOWLI-NRSFXHEJSA-N	1	0	369.469	1.622	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2	ZINC001003358492	873202410	/nfs/dbraw/zinc/20/24/10/873202410.db2.gz	USAKWLGWBOVBTM-LIRZEXBASA-N	1	0	354.454	1.770	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NCCCOC)[C@H](C)C1	ZINC001106192149	873258634	/nfs/dbraw/zinc/25/86/34/873258634.db2.gz	YBEFYYIPFQARJS-BRWVUGGUSA-N	1	0	353.507	1.568	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(Cc3ccccc3C#N)C[C@@H]2O)C1	ZINC001083719535	873548200	/nfs/dbraw/zinc/54/82/00/873548200.db2.gz	IOFFSAJXNUONEU-AQNXPRMDSA-N	1	0	370.497	1.342	20	30		FDEDRO
CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@@H](O)CC2(C#N)CCC2)c1	ZINC001168466126	873656502	/nfs/dbraw/zinc/65/65/02/873656502.db2.gz	LBCHYSAQXBAKNW-HIFRSBDPSA-N	1	0	351.472	1.690	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CNS(=O)(=O)CC)C[C@H]1C	ZINC001106203899	873681692	/nfs/dbraw/zinc/68/16/92/873681692.db2.gz	XIVFTUOOGPUHGY-HZPDHXFCSA-N	1	0	359.536	1.356	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)C4CC=CC4)C[C@@]3(C)C2)CC1	ZINC000993017089	873691242	/nfs/dbraw/zinc/69/12/42/873691242.db2.gz	BKLJOGHNYNXFSN-KNQAVFIVSA-N	1	0	369.509	1.605	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CN2CCCCCCC2=O)C[C@H]1C	ZINC001106211717	873804101	/nfs/dbraw/zinc/80/41/01/873804101.db2.gz	PGYQSZJGUMROEG-QZTJIDSGSA-N	1	0	363.502	1.113	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCN2c2ccccc2)C[C@H]1C	ZINC001106225856	873971016	/nfs/dbraw/zinc/97/10/16/873971016.db2.gz	JOEYTKAPQDLDMX-SFHLNBCPSA-N	1	0	369.509	1.989	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3cncn3C)[C@H](C)C2)CCOCC1	ZINC001106232969	874040461	/nfs/dbraw/zinc/04/04/61/874040461.db2.gz	RXYGFIWBFUNGCW-IAGOWNOFSA-N	1	0	358.486	1.424	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2[nH]ncc2C(F)(F)F)C[C@H]1C	ZINC001106233196	874040923	/nfs/dbraw/zinc/04/09/23/874040923.db2.gz	YIYIBAIUGYYCBU-VXGBXAGGSA-N	1	0	360.380	1.929	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3cnns3)[C@H](C)C2)CCOCC1	ZINC001106234948	874044960	/nfs/dbraw/zinc/04/49/60/874044960.db2.gz	FISPNBOCGQXBOF-HUUCEWRRSA-N	1	0	362.499	1.542	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]CCC[C@H](C)O)[C@H](C)C2)CCOCC1	ZINC001106235598	874049727	/nfs/dbraw/zinc/04/97/27/874049727.db2.gz	WIEVNVSKBQWMCW-FGTMMUONSA-N	1	0	350.503	1.652	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cnn(-c3cccnc3)c2)C[C@H]1C	ZINC001106245029	874094906	/nfs/dbraw/zinc/09/49/06/874094906.db2.gz	YFIIXTLYZNPQLB-IAGOWNOFSA-N	1	0	369.469	1.768	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc3c2oc(=O)n3C)C[C@H]1C	ZINC001106248251	874113595	/nfs/dbraw/zinc/11/35/95/874113595.db2.gz	LXSVYCFZCJELID-HUUCEWRRSA-N	1	0	371.437	1.079	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cnc3ccccc3n2)C[C@H]1C	ZINC001106252642	874146467	/nfs/dbraw/zinc/14/64/67/874146467.db2.gz	PVEWTDWIWOTZRT-HUUCEWRRSA-N	1	0	367.453	1.230	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]C[C@@H](O)Cn2cccn2)[C@H](C)C1	ZINC001106255941	874171678	/nfs/dbraw/zinc/17/16/78/874171678.db2.gz	QHDIFJMGOFFXFK-KZNAEPCWSA-N	1	0	371.485	1.229	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccc(S(=O)(=O)CC)s2)CC1	ZINC000922259225	874176709	/nfs/dbraw/zinc/17/67/09/874176709.db2.gz	CAFASVJDDSTZFR-UHFFFAOYSA-N	1	0	369.512	1.439	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccn3c2CCCC3)C[C@H]1C	ZINC001106263455	874233453	/nfs/dbraw/zinc/23/34/53/874233453.db2.gz	AAOPVELIBSNTTL-HZPDHXFCSA-N	1	0	358.486	1.424	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnc(C3CC3)o2)C[C@H]1C	ZINC001106264322	874246068	/nfs/dbraw/zinc/24/60/68/874246068.db2.gz	CLGFDFWCGNGYBW-UMVBOHGHSA-N	1	0	360.458	1.540	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCN2c2ncccn2)C[C@H]1C	ZINC001106277118	874341883	/nfs/dbraw/zinc/34/18/83/874341883.db2.gz	HFGOBGMEGNQLBP-BMFZPTHFSA-N	1	0	363.893	1.882	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(OC)c(F)c2)C[C@H]1C	ZINC001106278942	874367015	/nfs/dbraw/zinc/36/70/15/874367015.db2.gz	PWKKKPKQMFBIPN-UKRRQHHQSA-N	1	0	363.433	1.434	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cncc(Cl)c2C)C[C@H]1C	ZINC001106279975	874397832	/nfs/dbraw/zinc/39/78/32/874397832.db2.gz	GDRZNJFSLTZAHD-TZMCWYRMSA-N	1	0	362.861	1.091	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2[nH]c(=O)[nH]c2C)C[C@H]1C	ZINC001106290260	874528168	/nfs/dbraw/zinc/52/81/68/874528168.db2.gz	NOGXPOWJDXMPMP-LDYMZIIASA-N	1	0	357.252	1.630	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2nc(C)sc2C)C[C@H]1C	ZINC001106305560	874666839	/nfs/dbraw/zinc/66/68/39/874666839.db2.gz	AQACDYSIJQTDEU-TYNCELHUSA-N	1	0	362.499	1.196	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cn3c(n2)C[C@@H](C)CC3)C[C@H]1C	ZINC001106314096	874753464	/nfs/dbraw/zinc/75/34/64/874753464.db2.gz	GDTUHWPFJVKIRW-GVDBMIGSSA-N	1	0	360.502	1.966	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cnc3ccccn3c2=O)C[C@H]1C	ZINC001106328537	874793206	/nfs/dbraw/zinc/79/32/06/874793206.db2.gz	KTCLIRVXTRHUGO-HZPDHXFCSA-N	1	0	354.454	1.958	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cnc3ccccn3c2=O)C[C@H]1C	ZINC001106328727	874794713	/nfs/dbraw/zinc/79/47/13/874794713.db2.gz	MTQRGIMIHPJKFQ-HZPDHXFCSA-N	1	0	370.453	1.195	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-c3cn[nH]c3)cn2)C[C@H]1C	ZINC001106337230	874827549	/nfs/dbraw/zinc/82/75/49/874827549.db2.gz	XPRSOIIDEGLDAH-CRAIPNDOSA-N	1	0	367.453	1.419	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnc3ccccn32)C[C@H]1C	ZINC001106347020	874847273	/nfs/dbraw/zinc/84/72/73/874847273.db2.gz	FZKLVAJBHCRMPE-BZUAXINKSA-N	1	0	369.469	1.323	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c[nH]nc2CCC)C[C@H]1C	ZINC001106360366	874907012	/nfs/dbraw/zinc/90/70/12/874907012.db2.gz	ALOCWEMPYIGGST-QLFBSQMISA-N	1	0	361.490	1.351	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c[nH]nc2C(C)C)C[C@H]1C	ZINC001106363202	874915177	/nfs/dbraw/zinc/91/51/77/874915177.db2.gz	BFKHSFMYCPCMKM-RBSFLKMASA-N	1	0	361.490	1.522	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccn(-c3ccccc3)n2)C[C@H]1C	ZINC001106371092	874945871	/nfs/dbraw/zinc/94/58/71/874945871.db2.gz	QENJUPZMMPLTRB-QZTJIDSGSA-N	1	0	366.465	1.820	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2cccc(C(C)C)c2)C[C@H]1C	ZINC001106375468	874965611	/nfs/dbraw/zinc/96/56/11/874965611.db2.gz	FISVDUWFGKRTLB-YLJYHZDGSA-N	1	0	369.509	1.786	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccnc2C2CC2)C[C@H]1C	ZINC001106376315	874968852	/nfs/dbraw/zinc/96/88/52/874968852.db2.gz	YFVDJTVXIURMDY-BFYDXBDKSA-N	1	0	368.481	1.395	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2coc(C(F)(F)F)n2)C[C@H]1C	ZINC001106375926	874969128	/nfs/dbraw/zinc/96/91/28/874969128.db2.gz	PHUMIIALRAVNJI-VXGBXAGGSA-N	1	0	359.348	1.641	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)o2)C[C@H]1C	ZINC001106373012	874976925	/nfs/dbraw/zinc/97/69/25/874976925.db2.gz	XHXQIACYLNUYQF-CHWSQXEVSA-N	1	0	355.460	1.191	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnc(Cl)n2C)C[C@H]1C	ZINC001106422805	875223806	/nfs/dbraw/zinc/22/38/06/875223806.db2.gz	GWUCPGJXNSYDGC-FRRDWIJNSA-N	1	0	367.881	1.062	20	30		FDEDRO
N#CCc1ccccc1C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1	ZINC000915062853	875382342	/nfs/dbraw/zinc/38/23/42/875382342.db2.gz	OIZLQLVTAYGQCS-UHFFFAOYSA-N	1	0	354.454	1.699	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccnc3[nH]c(C)nc32)C[C@H]1C	ZINC001106459145	875435505	/nfs/dbraw/zinc/43/55/05/875435505.db2.gz	OJSFVWFALVJPTH-UKRRQHHQSA-N	1	0	355.442	1.214	20	30		FDEDRO
O=C(C#Cc1ccc2c(c1)OCO2)NC1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000762208832	875448415	/nfs/dbraw/zinc/44/84/15/875448415.db2.gz	WYJJRJDJRAREAI-KRWDZBQOSA-N	1	0	356.422	1.526	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]Cc2nonc2C)[C@H](C)C1	ZINC001106486295	875639947	/nfs/dbraw/zinc/63/99/47/875639947.db2.gz	NVWVIXVBPVTXOX-DDUZABMNSA-N	1	0	350.463	1.791	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2cccc(F)c2C#N)CCCO1	ZINC000762323693	875753377	/nfs/dbraw/zinc/75/33/77/875753377.db2.gz	ZXQMEFSYYJZOTP-CYBMUJFWSA-N	1	0	355.435	1.477	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000994479734	882962383	/nfs/dbraw/zinc/96/23/83/882962383.db2.gz	WQPLKRIQCKPEKT-WBTNSWJXSA-N	1	0	371.485	1.441	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NCCC)[C@H](C)C1	ZINC001106564336	875964700	/nfs/dbraw/zinc/96/47/00/875964700.db2.gz	YDHIDTQJBIFPOD-BZUAXINKSA-N	1	0	366.506	1.509	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCOCC)[C@H](C)C1	ZINC001106564241	875964748	/nfs/dbraw/zinc/96/47/48/875964748.db2.gz	VRBBQLIYFWEREH-BRWVUGGUSA-N	1	0	353.507	1.426	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]CCNC(=O)NC(C)C)[C@H](C)C1	ZINC001106559551	875966653	/nfs/dbraw/zinc/96/66/53/875966653.db2.gz	ZSXDRLDIIWNZLA-IAGOWNOFSA-N	1	0	350.507	1.572	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(F)c(F)cc2F)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106595027	876092598	/nfs/dbraw/zinc/09/25/98/876092598.db2.gz	UXNBHTLCOLVYNC-GHMZBOCLSA-N	1	0	368.359	1.041	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NCCC)[C@H](C)C1	ZINC001106610138	876184751	/nfs/dbraw/zinc/18/47/51/876184751.db2.gz	ZZDDYFRZVWIAOM-HUUCEWRRSA-N	1	0	352.479	1.263	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)[C@H](C)C2)CC1	ZINC001106628741	876273810	/nfs/dbraw/zinc/27/38/10/876273810.db2.gz	TUNCNANUNWNAJJ-NVXWUHKLSA-N	1	0	371.547	1.308	20	30		FDEDRO
COc1cccc(C=NOCC(=O)NC2CC[NH+](C3CC3)CC2)c1OC	ZINC000762659057	876331042	/nfs/dbraw/zinc/33/10/42/876331042.db2.gz	PVYFICPSZGODBI-UHFFFAOYSA-N	1	0	361.442	1.797	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(CC)CC)[C@H](C)C2)c1	ZINC001106650204	876387250	/nfs/dbraw/zinc/38/72/50/876387250.db2.gz	FEZOVUQQWKDVCB-CRAIPNDOSA-N	1	0	370.497	1.665	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106673363	876521625	/nfs/dbraw/zinc/52/16/25/876521625.db2.gz	WKXWIUGEBQWETH-NVXWUHKLSA-N	1	0	364.449	1.463	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)COc2cccc(OC)c2)C[C@H]1C	ZINC001106685767	876559151	/nfs/dbraw/zinc/55/91/51/876559151.db2.gz	DLQQVULAVLMLCE-IAGOWNOFSA-N	1	0	360.454	1.408	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccncc2Cl)C[C@H]1C	ZINC001106696407	876594881	/nfs/dbraw/zinc/59/48/81/876594881.db2.gz	XOFZYCGMGSRDKM-MGPQQGTHSA-N	1	0	362.861	1.171	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@H]1C	ZINC001106701909	876618632	/nfs/dbraw/zinc/61/86/32/876618632.db2.gz	LZJJJAPMJXRTQA-BZUAXINKSA-N	1	0	359.536	1.355	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccncc2Cl)C[C@H]1C	ZINC001106695636	876623346	/nfs/dbraw/zinc/62/33/46/876623346.db2.gz	JAQVLCXGWBXAHL-HZSPNIEDSA-N	1	0	364.877	1.723	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C)[nH]c2=O)C[C@H]1C	ZINC001106702215	876628681	/nfs/dbraw/zinc/62/86/81/876628681.db2.gz	ZWCMSDYHRCVLOR-BPLDGKMQSA-N	1	0	360.458	1.084	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2cnsn2)[C@@H](n2ccnn2)C1	ZINC001128736722	883052341	/nfs/dbraw/zinc/05/23/41/883052341.db2.gz	RQCDIDOZHMCKNU-CABCVRRESA-N	1	0	363.491	1.755	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C[C@H]1C	ZINC001106708297	876914484	/nfs/dbraw/zinc/91/44/84/876914484.db2.gz	NKRQAQGBWQTCLY-UKRRQHHQSA-N	1	0	356.426	1.216	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3ccccn3c2)C[C@H]1C	ZINC001106723760	876970051	/nfs/dbraw/zinc/97/00/51/876970051.db2.gz	PLQVYPXGRONFRW-NVXWUHKLSA-N	1	0	354.454	1.539	20	30		FDEDRO
C[NH+](C)Cc1cccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)c1	ZINC000915778423	877379901	/nfs/dbraw/zinc/37/99/01/877379901.db2.gz	ZNOHAOLSSRGZPH-UHFFFAOYSA-N	1	0	366.425	1.182	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](N3CC[C@@H](N4CCCC4=O)C3)C2=O)cc1	ZINC000272428747	877397022	/nfs/dbraw/zinc/39/70/22/877397022.db2.gz	HJUSYCFLYNPSHQ-MSOLQXFVSA-N	1	0	352.438	1.750	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](NC(=O)COC)C(C)C)C[C@H]1C	ZINC001106741763	877401784	/nfs/dbraw/zinc/40/17/84/877401784.db2.gz	OYZCWFSOMUXOKD-NUJGCVRESA-N	1	0	353.507	1.424	20	30		FDEDRO
Cc1onc(CC(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)c1C#N	ZINC000499752220	877489978	/nfs/dbraw/zinc/48/99/78/877489978.db2.gz	SGFHNFFGZPWXEN-UHFFFAOYSA-N	1	0	369.381	1.505	20	30		FDEDRO
Cc1c(C(=O)N2C[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@]3(C)C2)ccc2c[nH+]cn21	ZINC000993357534	877526967	/nfs/dbraw/zinc/52/69/67/877526967.db2.gz	ZGOAYZPEYFTCAF-ZQGRQUNCSA-N	1	0	365.437	1.723	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC2(C=C)CCCCC2)C[C@H]1C	ZINC001106753882	877561926	/nfs/dbraw/zinc/56/19/26/877561926.db2.gz	VJUYUORMMVOMSW-QZTJIDSGSA-N	1	0	359.514	1.947	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CCNC(=O)C2CCC2)C[C@H]1C	ZINC001106758188	877590227	/nfs/dbraw/zinc/59/02/27/877590227.db2.gz	QTOLCBJATBSJIZ-NVXWUHKLSA-N	1	0	351.491	1.180	20	30		FDEDRO
CNC(=O)C1(C(=O)N2C[C@@H](C[NH2+]CC#Cc3ccc(F)cc3)[C@H](C)C2)CC1	ZINC001106759914	877607562	/nfs/dbraw/zinc/60/75/62/877607562.db2.gz	FCQRUSFLNALFEG-NVXWUHKLSA-N	1	0	371.456	1.388	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cncc(Cl)c2)C[C@H]1C	ZINC001106762884	877644150	/nfs/dbraw/zinc/64/41/50/877644150.db2.gz	PYWFDKWLGGDENM-VNHYZAJKSA-N	1	0	362.861	1.171	20	30		FDEDRO
CCc1ccc([C@H](C)C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)cc1	ZINC001106767554	877647889	/nfs/dbraw/zinc/64/78/89/877647889.db2.gz	HYXRMPBOWADBKB-JTDSTZFVSA-N	1	0	370.497	1.676	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C[NH2+]CC#Cc1cccc(Cl)c1	ZINC001106779765	877774486	/nfs/dbraw/zinc/77/44/86/877774486.db2.gz	VHRBYQFFOGYZMJ-UKRRQHHQSA-N	1	0	357.845	1.808	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)C[C@@]3(C)C2)C1	ZINC000993393991	877820533	/nfs/dbraw/zinc/82/05/33/877820533.db2.gz	DYGZBDBSVFUXSK-FGSXEWAUSA-N	1	0	371.525	1.991	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2nc(OC)cc(OC)n2)C[C@H]1C(F)(F)F	ZINC001099269235	877889075	/nfs/dbraw/zinc/88/90/75/877889075.db2.gz	DANLQOBQOJSZBO-NXEZZACHSA-N	1	0	360.336	1.272	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC)[C@H](C)C1	ZINC000670230253	877938334	/nfs/dbraw/zinc/93/83/34/877938334.db2.gz	YIHNSZVGCOMFFI-HUUCEWRRSA-N	1	0	367.519	1.287	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C[C@H]1C	ZINC001106796453	877978647	/nfs/dbraw/zinc/97/86/47/877978647.db2.gz	PLTUEBRYFFRCET-VNHYZAJKSA-N	1	0	362.474	1.778	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1	ZINC000922386083	878001308	/nfs/dbraw/zinc/00/13/08/878001308.db2.gz	MLORPSAHVGDFIW-CQSZACIVSA-N	1	0	352.479	1.639	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2ccc3c(c2)NC(=O)C3)[C@H](OC)C1	ZINC001212418975	912317826	/nfs/dbraw/zinc/31/78/26/912317826.db2.gz	SYGGDUHGHGUCGF-GDIGMMSISA-N	1	0	371.481	1.894	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1	ZINC000922432087	878177592	/nfs/dbraw/zinc/17/75/92/878177592.db2.gz	LHKRUPGDYLZWIS-QGZVFWFLSA-N	1	0	361.490	1.063	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)COC)C[C@H]1C	ZINC001106820896	878283068	/nfs/dbraw/zinc/28/30/68/878283068.db2.gz	HTOSSCSFBWNLDI-RCCFBDPRSA-N	1	0	365.518	1.544	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCCn2cc(Br)cn2)CC1	ZINC000922498628	878347032	/nfs/dbraw/zinc/34/70/32/878347032.db2.gz	XATSYEIETHACOC-UHFFFAOYSA-N	1	0	368.279	1.433	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@H]2OC)CC1	ZINC000946587852	878802727	/nfs/dbraw/zinc/80/27/27/878802727.db2.gz	YLMGCBJUXCLZHY-KBAYOESNSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cc3c(cn2)OCCO3)[C@H](OC)C1	ZINC001212420036	912401822	/nfs/dbraw/zinc/40/18/22/912401822.db2.gz	SGGGTGHHWYFOAS-JCKWVBRZSA-N	1	0	361.442	1.637	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1	ZINC000921680095	912407692	/nfs/dbraw/zinc/40/76/92/912407692.db2.gz	JLJRWVDWFMSLPQ-GOSISDBHSA-N	1	0	368.481	1.432	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+]([C@@H](CC)C(N)=O)C[C@H]2CC1	ZINC000946595108	879082237	/nfs/dbraw/zinc/08/22/37/879082237.db2.gz	ISXYOUYATBXASE-WKULXVSPSA-N	1	0	363.502	1.402	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCC2(C)CC2)C[C@H]1C	ZINC001106828759	879231420	/nfs/dbraw/zinc/23/14/20/879231420.db2.gz	IQRVSWAUEXLCOX-HUUCEWRRSA-N	1	0	364.490	1.263	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H]2CN(Cc3ccccc3C#N)C[C@@H]21	ZINC001083168904	912435104	/nfs/dbraw/zinc/43/51/04/912435104.db2.gz	SIXKWEVTIZAFQH-SLFFLAALSA-N	1	0	368.481	1.454	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2	ZINC001004396227	879342186	/nfs/dbraw/zinc/34/21/86/879342186.db2.gz	BLHGRAVRELZOJU-WKULXVSPSA-N	1	0	373.497	1.312	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)C23CCC[NH+](CCC2)C3)C1	ZINC001004526526	879794463	/nfs/dbraw/zinc/79/44/63/879794463.db2.gz	YFZBIBNAWGKXJD-SJORKVTESA-N	1	0	361.486	1.028	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@@H]2O)cc1	ZINC001083842226	879882631	/nfs/dbraw/zinc/88/26/31/879882631.db2.gz	BPOHBMMBXPWIME-QRQLOZEOSA-N	1	0	358.438	1.043	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2oc(CC)nc2C)C[C@H]1C	ZINC001106838159	880227892	/nfs/dbraw/zinc/22/78/92/880227892.db2.gz	PAXMYJSHKRMKSH-VHDGCEQUSA-N	1	0	362.474	1.534	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C	ZINC001106843620	880835392	/nfs/dbraw/zinc/83/53/92/880835392.db2.gz	IWAFEDHTFFFIDN-BRWVUGGUSA-N	1	0	356.532	1.852	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)C3(CC)CC3)C[C@H]2C)CC1	ZINC000994138432	880901151	/nfs/dbraw/zinc/90/11/51/880901151.db2.gz	FIRFISKVYNBRCI-SJLPKXTDSA-N	1	0	359.514	1.733	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccnc3[nH]c(CC)nc32)C[C@H]1C(F)(F)F	ZINC001099283626	881069481	/nfs/dbraw/zinc/06/94/81/881069481.db2.gz	HGTSYESQAWDTCW-VXGBXAGGSA-N	1	0	365.359	1.746	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](CCc3ccc(C)cc3)C[C@@H]2O)nn1	ZINC001083846544	881171780	/nfs/dbraw/zinc/17/17/80/881171780.db2.gz	FESUCAPXPDIYTA-MJGOQNOKSA-N	1	0	369.469	1.180	20	30		FDEDRO
CCCNC(=O)C[C@@H](C(N)=O)[N@H+](CCC)CCOc1ccc(C#N)cc1	ZINC000272733179	881176625	/nfs/dbraw/zinc/17/66/25/881176625.db2.gz	DDNNSODLOHMWMG-KRWDZBQOSA-N	1	0	360.458	1.419	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cc3c([nH]c2=O)CCOC3)C[C@H]1C	ZINC001106862131	881265672	/nfs/dbraw/zinc/26/56/72/881265672.db2.gz	QLKOKNMCILDSMI-BXUZGUMPSA-N	1	0	365.861	1.910	20	30		FDEDRO
C=C(C)CNC(=S)N1CCC(C(=O)NCCC[NH+](CC)CC)CC1	ZINC000916015182	881292129	/nfs/dbraw/zinc/29/21/29/881292129.db2.gz	CEMMCMOBXMRGMM-UHFFFAOYSA-N	1	0	354.564	1.997	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)CC[C@@H]2C1	ZINC000946677509	881293191	/nfs/dbraw/zinc/29/31/91/881293191.db2.gz	DEMOQCNPMXSJTK-XDNAFOTISA-N	1	0	363.502	1.546	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2cc(C)n[nH]2)[C@@H](n2ccnn2)C1	ZINC001128746767	883119519	/nfs/dbraw/zinc/11/95/19/883119519.db2.gz	IHNGFSZQOIQGQV-SJORKVTESA-N	1	0	357.462	1.711	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCN2C(=O)OC(C)(C)C)CC1	ZINC000917141782	883129972	/nfs/dbraw/zinc/12/99/72/883129972.db2.gz	IWAUKOSTXWORAM-HNNXBMFYSA-N	1	0	352.479	1.945	20	30		FDEDRO
CC(C)(C#N)CS(=O)(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1	ZINC000917238414	883258730	/nfs/dbraw/zinc/25/87/30/883258730.db2.gz	ZWQVTDJKVAEWNE-INIZCTEOSA-N	1	0	351.472	1.222	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1	ZINC000917537141	883508361	/nfs/dbraw/zinc/50/83/61/883508361.db2.gz	YMIXNTTZEMQTLE-UHFFFAOYSA-N	1	0	371.890	1.725	20	30		FDEDRO
CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(C#N)c2)CC1	ZINC001005493086	883647393	/nfs/dbraw/zinc/64/73/93/883647393.db2.gz	RCCFLVDTOPVGSU-KURKYZTESA-N	1	0	369.469	1.480	20	30		FDEDRO
Cc1cc(CN2C[C@@H](NC(=O)[C@H](C)C#N)[C@@H](n3ccnn3)C2)c(C)s1	ZINC001128833714	883781986	/nfs/dbraw/zinc/78/19/86/883781986.db2.gz	AEXAVFIXBULMRK-LYRGGWFBSA-N	1	0	358.471	1.658	20	30		FDEDRO
CC/C=C\CC[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](n2ccnn2)C1	ZINC001128878559	883920156	/nfs/dbraw/zinc/92/01/56/883920156.db2.gz	WPBFOJSLMJMOEA-DSLCMKTCSA-N	1	0	353.430	1.489	20	30		FDEDRO
CCCCCC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](n2ccnn2)C1	ZINC001128903580	884022746	/nfs/dbraw/zinc/02/27/46/884022746.db2.gz	RXBLNYHCYATGIG-SJORKVTESA-N	1	0	355.446	1.713	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCCCCCC)C[C@@H]1n1ccnn1	ZINC001128929295	884145858	/nfs/dbraw/zinc/14/58/58/884145858.db2.gz	FTAXRBJASRNMSZ-AOIWGVFYSA-N	1	0	363.506	1.917	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)CC(=O)NCC)[C@@H](n2ccnn2)C1	ZINC001128930749	884152610	/nfs/dbraw/zinc/15/26/10/884152610.db2.gz	ZPQOUGRVQMSJEN-CVEARBPZSA-N	1	0	364.494	1.116	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2C)c1	ZINC000994565264	884267436	/nfs/dbraw/zinc/26/74/36/884267436.db2.gz	BQFSGSSGOADDHH-HHXXYDBFSA-N	1	0	368.481	1.229	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2nccc(C)n2)[C@@H](n2ccnn2)C1	ZINC001128945108	884270174	/nfs/dbraw/zinc/27/01/74/884270174.db2.gz	QMPQOZZSFUSKCO-OAGGEKHMSA-N	1	0	355.446	1.387	20	30		FDEDRO
N#CCOc1cccc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1	ZINC000918310347	884299944	/nfs/dbraw/zinc/29/99/44/884299944.db2.gz	DDHGFVZVBAWECD-UHFFFAOYSA-N	1	0	365.393	1.271	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CCN2CCCC2=O)C1	ZINC001034437486	884372090	/nfs/dbraw/zinc/37/20/90/884372090.db2.gz	ZXVGVFOROFBLNA-LNLFQRSKSA-N	1	0	363.502	1.561	20	30		FDEDRO
C#CCCCCCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001061755441	884444411	/nfs/dbraw/zinc/44/44/11/884444411.db2.gz	JTWNSSMUODUVQF-FGTMMUONSA-N	1	0	363.502	1.254	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(c3nc(C#N)c(Cl)s3)C2)CC[N@@H+]1C	ZINC001061757334	884471954	/nfs/dbraw/zinc/47/19/54/884471954.db2.gz	JDUNUJRQRMCJLA-IJLUTSLNSA-N	1	0	367.906	1.951	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(CC[NH2+][C@H]2CCN(C)C2=O)CC1	ZINC001034570948	884509205	/nfs/dbraw/zinc/50/92/05/884509205.db2.gz	NABNGBSIEYUXAA-SQNIBIBYSA-N	1	0	363.502	1.417	20	30		FDEDRO
Cc1ccc(CC[N@H+]2C[C@@H](NC(=O)C#CC(C)C)[C@@H](n3ccnn3)C2)cc1	ZINC001128976062	884542577	/nfs/dbraw/zinc/54/25/77/884542577.db2.gz	HSYFHCPPXGPEFI-UXHICEINSA-N	1	0	365.481	1.830	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCC(F)(F)C2)C[C@@H]1n1ccnn1	ZINC001128976538	884546691	/nfs/dbraw/zinc/54/66/91/884546691.db2.gz	YGVNSZUFIWSICK-XHSDSOJGSA-N	1	0	365.428	1.714	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCc2cnn(C)c2)CC1	ZINC001034648640	884617034	/nfs/dbraw/zinc/61/70/34/884617034.db2.gz	LUESJKYACCZFBH-MKXGPGLRSA-N	1	0	360.502	1.961	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(C#N)c2)CC1	ZINC001034664146	884632928	/nfs/dbraw/zinc/63/29/28/884632928.db2.gz	WHPVAKAYBNBIPJ-QZHFEQFPSA-N	1	0	357.454	1.879	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1	ZINC000658260606	884678150	/nfs/dbraw/zinc/67/81/50/884678150.db2.gz	AYRKEVJWHSLFDS-INIZCTEOSA-N	1	0	372.469	1.530	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cnc(CC(C)C)[nH]2)[C@@H](n2ccnn2)C1	ZINC001128985014	884698777	/nfs/dbraw/zinc/69/87/77/884698777.db2.gz	GRRFUDIIAISTLM-SJORKVTESA-N	1	0	371.489	1.821	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1C[N@H+](CCCc2ccsc2)C[C@@H]1n1ccnn1	ZINC001128985440	884716911	/nfs/dbraw/zinc/71/69/11/884716911.db2.gz	NQQDOOUQOJZQHK-MSOLQXFVSA-N	1	0	369.494	1.727	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1	ZINC000246093690	884798575	/nfs/dbraw/zinc/79/85/75/884798575.db2.gz	GWKPMACYBLKKKL-IAGOWNOFSA-N	1	0	367.453	1.715	20	30		FDEDRO
C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C[C@@H]1CCC[C@H]1O	ZINC000246190268	884875719	/nfs/dbraw/zinc/87/57/19/884875719.db2.gz	DJRQXQXQQRLRQA-WMLDXEAASA-N	1	0	353.426	1.775	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]CCOC(C)C)[C@H](C)C1	ZINC001106892164	884897464	/nfs/dbraw/zinc/89/74/64/884897464.db2.gz	RDZRCEJDIALZCR-IAGOWNOFSA-N	1	0	359.470	1.816	20	30		FDEDRO
CCOC(=O)N[C@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N)C(C)C	ZINC000918757339	884915292	/nfs/dbraw/zinc/91/52/92/884915292.db2.gz	YXCRVPIUKFOYAR-ZDUSSCGKSA-N	1	0	350.423	1.143	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nnnn2C(C)C)CC1	ZINC001034737365	884943422	/nfs/dbraw/zinc/94/34/22/884943422.db2.gz	YXCRPMZWJUTPDL-FPCVCCKLSA-N	1	0	362.478	1.362	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCN(C)C2=O)CC1	ZINC001034752944	884963328	/nfs/dbraw/zinc/96/33/28/884963328.db2.gz	ANUHNLUHNMUHIQ-TXTZMMAHSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1CN(Cc2nccnc2C)C[C@@H]1n1ccnn1	ZINC001129009645	885050103	/nfs/dbraw/zinc/05/01/03/885050103.db2.gz	JRCCODQNNOJVNQ-SJORKVTESA-N	1	0	369.473	1.521	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cn2ccc(C)n2)[C@@H](n2ccnn2)C1	ZINC001129009464	885067433	/nfs/dbraw/zinc/06/74/33/885067433.db2.gz	BFVBPLOZVMUFHO-JQHSSLGASA-N	1	0	371.489	1.427	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCc1ccc(C[NH2+]Cc2cnnn2C)cc1	ZINC001034818220	885164478	/nfs/dbraw/zinc/16/44/78/885164478.db2.gz	FKHNZOGHEZHPEE-MOPGFXCFSA-N	1	0	369.469	1.702	20	30		FDEDRO
C=CCN1CC[C@H]([NH+]2CCC(N(C)C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1=O	ZINC001005735995	885184481	/nfs/dbraw/zinc/18/44/81/885184481.db2.gz	NQEJBDLSUBJPKX-SGYMCOKNSA-N	1	0	373.497	1.120	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@@H]1O	ZINC001083967805	912911045	/nfs/dbraw/zinc/91/10/45/912911045.db2.gz	ZGUJQGDFBUUBMZ-MOPGFXCFSA-N	1	0	369.465	1.759	20	30		FDEDRO
Cc1ccc(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1C#N	ZINC000919072497	885268950	/nfs/dbraw/zinc/26/89/50/885268950.db2.gz	OXMJCRMHGFJNGP-IBGZPJMESA-N	1	0	371.485	1.072	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCc3ccc(Cl)cc3)C[C@@H]2O)nc1	ZINC001083969424	912917263	/nfs/dbraw/zinc/91/72/63/912917263.db2.gz	BCYPNJLUCGADNL-MOPGFXCFSA-N	1	0	369.852	1.734	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCC3(F)F)C[C@@H]2O)nc1	ZINC001083969825	912918920	/nfs/dbraw/zinc/91/89/20/912918920.db2.gz	WQGUKEOSWNFFQV-UAGQMJEPSA-N	1	0	363.408	1.663	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCC(F)(F)C3)C[C@@H]2O)cn1	ZINC001083970814	912922568	/nfs/dbraw/zinc/92/25/68/912922568.db2.gz	JFRPUEADWPAWIR-XYPHTWIQSA-N	1	0	363.408	1.663	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2ccnn2C)[C@@H](n2ccnn2)C1	ZINC001129030214	885346716	/nfs/dbraw/zinc/34/67/16/885346716.db2.gz	UZEHVBPNXFZGJG-JQHSSLGASA-N	1	0	371.489	1.341	20	30		FDEDRO
C#CCN(C(=O)NCc1nnc(-c2ccc(F)cc2)[nH]1)C1CC[NH+](C)CC1	ZINC000919234660	885419555	/nfs/dbraw/zinc/41/95/55/885419555.db2.gz	SUGIOFPDOQAMSS-UHFFFAOYSA-N	1	0	370.432	1.850	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](CC3CCC3)C[C@@H]2n2ccnn2)CCOCC1	ZINC001129043279	885517195	/nfs/dbraw/zinc/51/71/95/885517195.db2.gz	ORUMQXXOKYVXBJ-MSOLQXFVSA-N	1	0	371.485	1.240	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC(C)(C)C1	ZINC001089491953	885650115	/nfs/dbraw/zinc/65/01/15/885650115.db2.gz	YRYPDUYLFBGGPJ-OAGGEKHMSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2C=CCCC2)[C@@H](n2ccnn2)C1	ZINC001129064419	885650626	/nfs/dbraw/zinc/65/06/26/885650626.db2.gz	DDUZZBCRARHMKM-KSZLIROESA-N	1	0	359.474	1.569	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H](C)C(CC)CC)[C@@H](n2ccnn2)C1	ZINC001129089636	885716348	/nfs/dbraw/zinc/71/63/48/885716348.db2.gz	MHPBYHHNLLPGBM-NXHRZFHOSA-N	1	0	363.506	1.895	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ncnc3[nH]ccc32)[C@@H](n2ccnn2)C1	ZINC001129093352	885721912	/nfs/dbraw/zinc/72/19/12/885721912.db2.gz	GJIWHEQIWIAZIL-CABCVRRESA-N	1	0	366.429	1.123	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N[C@@H](C)C(C)C)[C@H](C)C2)cn1	ZINC001106894449	885753244	/nfs/dbraw/zinc/75/32/44/885753244.db2.gz	MDVIWVZJPLJSAP-SOLBZPMBSA-N	1	0	370.497	1.521	20	30		FDEDRO
C=CCC[N@H+]1CCC2(C1)CCN(C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)CC2	ZINC001035208608	885785947	/nfs/dbraw/zinc/78/59/47/885785947.db2.gz	GOSLDKNPOSKGPN-SJORKVTESA-N	1	0	363.502	1.690	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2c(C)cc(C)[nH]c2=O)[C@@H](n2ccnn2)C1	ZINC001129139847	885843049	/nfs/dbraw/zinc/84/30/49/885843049.db2.gz	XATQRUHFSULMKW-CVEARBPZSA-N	1	0	370.457	1.617	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)CC(C)(C)C1	ZINC001089514234	885900507	/nfs/dbraw/zinc/90/05/07/885900507.db2.gz	KJGRBTXUZXQIDU-BQFCYCMXSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=C(C)CN1CCO[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1	ZINC001035369886	885922867	/nfs/dbraw/zinc/92/28/67/885922867.db2.gz	BXSVLXBOLCWPQC-OTWHNJEPSA-N	1	0	365.518	1.126	20	30		FDEDRO
C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1	ZINC001035370158	885924088	/nfs/dbraw/zinc/92/40/88/885924088.db2.gz	IWTPFFGNXNHAFG-QRVBRYPASA-N	1	0	359.470	1.942	20	30		FDEDRO
CO[C@@H]1C[N@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1NC(=O)C#CC(C)C	ZINC001212241598	885929636	/nfs/dbraw/zinc/92/96/36/885929636.db2.gz	UCIBZDVHENTNNX-WOJBJXKFSA-N	1	0	366.465	1.847	20	30		FDEDRO
C=C(Br)CN1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001035372178	885934374	/nfs/dbraw/zinc/93/43/74/885934374.db2.gz	LMQRAJZWRIHRQL-MGPQQGTHSA-N	1	0	360.296	1.052	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(Cc3ccc(C#N)s3)CCO2)CC[N@@H+]1C	ZINC001035375987	885939841	/nfs/dbraw/zinc/93/98/41/885939841.db2.gz	NEBBLXTYDGVJFB-CKEIUWERSA-N	1	0	362.499	1.277	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NCC[N@H+]1CC=C(C)CC1	ZINC000498941721	886048940	/nfs/dbraw/zinc/04/89/40/886048940.db2.gz	UADKVPPIOHTOBW-UHFFFAOYSA-N	1	0	371.481	1.978	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1	ZINC000919860222	886295527	/nfs/dbraw/zinc/29/55/27/886295527.db2.gz	JFHUZPBOVOMPBM-JKSUJKDBSA-N	1	0	363.483	1.460	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H](C)[C@H]1CN(C)CCO1)C(C)C	ZINC000676249946	886310839	/nfs/dbraw/zinc/31/08/39/886310839.db2.gz	JKSAFQHJXHUOJQ-KZNAEPCWSA-N	1	0	352.523	1.703	20	30		FDEDRO
C=CCNc1ncc(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)s1	ZINC000676345615	886448575	/nfs/dbraw/zinc/44/85/75/886448575.db2.gz	VCSVOUMTPUOXPZ-HNNXBMFYSA-N	1	0	363.531	1.982	20	30		FDEDRO
CCc1ccc([C@@H](O)C[N@@H+]2C[C@@H](NC(=O)C#CC3CC3)[C@H](OC)C2)cc1	ZINC001212246311	886529145	/nfs/dbraw/zinc/52/91/45/886529145.db2.gz	QKFITLLXFSSLIW-HSALFYBXSA-N	1	0	356.466	1.511	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2conc2CC)[C@@H](n2ccnn2)C1	ZINC001129233390	886714754	/nfs/dbraw/zinc/71/47/54/886714754.db2.gz	MROACRPGUHXXLD-XKQJLSEDSA-N	1	0	358.446	1.839	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H](CNC(=O)CC(F)(F)F)C2)CC1	ZINC000804200898	886873768	/nfs/dbraw/zinc/87/37/68/886873768.db2.gz	UOAWDSFUMYIVOR-CQSZACIVSA-N	1	0	373.419	1.639	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CN(C)c3ccnc(C#N)n3)C2)CC[N@@H+]1C	ZINC001062185335	886954692	/nfs/dbraw/zinc/95/46/92/886954692.db2.gz	JHYRKSLERKIFHD-HRCADAONSA-N	1	0	356.474	1.363	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CN(C)c3ccc(C#N)cn3)C2)CC[N@@H+]1C	ZINC001062185808	886967579	/nfs/dbraw/zinc/96/75/79/886967579.db2.gz	XHODMSONAZXMHF-OKZBNKHCSA-N	1	0	355.486	1.968	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H](c3nccn3C)C2)CC1	ZINC000373114327	887108883	/nfs/dbraw/zinc/10/88/83/887108883.db2.gz	YMHZGNAZDGPTKP-ROUUACIJSA-N	1	0	372.517	1.292	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)nc1	ZINC000370186802	887158871	/nfs/dbraw/zinc/15/88/71/887158871.db2.gz	UWWOGUNMJBRKTO-HNAYVOBHSA-N	1	0	368.485	2.226	20	30		FDEDRO
N#Cc1cc(N[C@@H]2CCC[N@@H+](CCCO)C2)nc2ccc([N+](=O)[O-])cc12	ZINC000450607813	887643131	/nfs/dbraw/zinc/64/31/31/887643131.db2.gz	BUZSDXWGWXLYBU-CQSZACIVSA-N	1	0	355.398	2.273	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2nc(C)c(C(=O)OCC)s2)CC1	ZINC000921349416	887764213	/nfs/dbraw/zinc/76/42/13/887764213.db2.gz	PZOZNNUMNBAZID-UHFFFAOYSA-N	1	0	364.471	1.525	20	30		FDEDRO
C#CCN(C(=O)NCCc1cn2c(cccc2C)n1)C1CC[NH+](C)CC1	ZINC000923049072	887906894	/nfs/dbraw/zinc/90/68/94/887906894.db2.gz	LAAHXGVPUJUBRF-UHFFFAOYSA-N	1	0	353.470	1.924	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CCCc2c1ccc(=O)n2C)C1CC[NH+](C)CC1	ZINC000923089226	887997053	/nfs/dbraw/zinc/99/70/53/887997053.db2.gz	FIVIYUFMANAOHV-KRWDZBQOSA-N	1	0	356.470	1.502	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)nn1CCC#N	ZINC000505027561	888029811	/nfs/dbraw/zinc/02/98/11/888029811.db2.gz	SRHIEKUIDRJUTF-INIZCTEOSA-N	1	0	374.489	1.670	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC(C)C)NC(C)=O)C[C@H]1C	ZINC001106901271	888104509	/nfs/dbraw/zinc/10/45/09/888104509.db2.gz	VGXHTZXHKIIXHA-KBAYOESNSA-N	1	0	353.507	1.424	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCc3ccccc32)C[C@H]1OC	ZINC001212262171	888161047	/nfs/dbraw/zinc/16/10/47/888161047.db2.gz	FQVYIMYJVQECDN-CEWLAPEOSA-N	1	0	370.493	1.962	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@H]1OC	ZINC001212267757	888443593	/nfs/dbraw/zinc/44/35/93/888443593.db2.gz	ARZSRGWPZOUYSG-KZNAEPCWSA-N	1	0	356.507	1.726	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1OC	ZINC001212268140	888593070	/nfs/dbraw/zinc/59/30/70/888593070.db2.gz	SUSWDAORLJLKLL-RCCFBDPRSA-N	1	0	354.491	1.601	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C)CC1	ZINC000946889860	888910434	/nfs/dbraw/zinc/91/04/34/888910434.db2.gz	QUUJXBMOMDZIFG-IEZWGBDMSA-N	1	0	363.502	1.559	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC000938605632	888939226	/nfs/dbraw/zinc/93/92/26/888939226.db2.gz	AFBVTGYCJFWSKS-DJIMGWMZSA-N	1	0	354.454	1.076	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nc1	ZINC000938609373	888954617	/nfs/dbraw/zinc/95/46/17/888954617.db2.gz	QEKPXQDCTOPWSG-ZIFCJYIRSA-N	1	0	368.481	1.466	20	30		FDEDRO
Cn1ccnc1CN(C[C@@H](O)c1ccc(C#N)cc1)[C@@H]1CC12CC[NH2+]CC2	ZINC000923342549	888961343	/nfs/dbraw/zinc/96/13/43/888961343.db2.gz	PGLVXANDIIXIRA-RTBURBONSA-N	1	0	365.481	1.969	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)CC1	ZINC000245566910	889027618	/nfs/dbraw/zinc/02/76/18/889027618.db2.gz	UCKGNULXXJGHMJ-XLIONFOSSA-N	1	0	372.513	1.947	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1	ZINC000938670773	889074183	/nfs/dbraw/zinc/07/41/83/889074183.db2.gz	CCQNTAXXMQCCKY-KSZLIROESA-N	1	0	363.502	1.513	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccccc2Cl)C[C@H]1C	ZINC001106907854	889192973	/nfs/dbraw/zinc/19/29/73/889192973.db2.gz	GDKYMIGXZKNYKR-QLFBSQMISA-N	1	0	361.873	1.776	20	30		FDEDRO
N#Cc1ccc(CN2CC[NH2+][C@@H]3CS(=O)(=O)C[C@@H]32)c(C(F)(F)F)c1	ZINC000923523439	889588582	/nfs/dbraw/zinc/58/85/82/889588582.db2.gz	CMTBDSXDUHEMSG-KGLIPLIRSA-N	1	0	359.373	1.148	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)COc1ccc(F)cc1	ZINC001127608732	889724019	/nfs/dbraw/zinc/72/40/19/889724019.db2.gz	DVAPRKDQZYDYRW-NXHRZFHOSA-N	1	0	366.433	1.252	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCCc1ccsc1	ZINC001127609198	889737418	/nfs/dbraw/zinc/73/74/18/889737418.db2.gz	PHCJRQHDULDAGE-CVEARBPZSA-N	1	0	365.499	1.094	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)C[C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)C1	ZINC000923555462	889771707	/nfs/dbraw/zinc/77/17/07/889771707.db2.gz	QUHCVZOFVSVQQZ-IRLDBZIGSA-N	1	0	369.509	1.617	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CNC(=O)c2ccccc2)C[C@H]1C	ZINC001106912340	889907177	/nfs/dbraw/zinc/90/71/77/889907177.db2.gz	VPKFTXVHQAPGKD-SJLPKXTDSA-N	1	0	359.470	1.303	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCCCOC)C[C@H]1OC	ZINC001212295341	889907832	/nfs/dbraw/zinc/90/78/32/889907832.db2.gz	JIOSQIYQZHSALM-ZJPYXAASSA-N	1	0	354.491	1.600	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCCC)C[C@H]1OC	ZINC001212295330	889929103	/nfs/dbraw/zinc/92/91/03/889929103.db2.gz	IHRGQIMEBXCMGT-ZJPYXAASSA-N	1	0	354.491	1.600	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]Cc1cccc(C(=O)N(C)C)c1	ZINC001127612983	889929441	/nfs/dbraw/zinc/92/94/41/889929441.db2.gz	JLCUSHRVOYUAEY-MSOLQXFVSA-N	1	0	359.470	1.575	20	30		FDEDRO
C[C@@H](OC(C)(C)C)[C@H]([NH3+])C(=O)NCc1nc(-c2ccc(C#N)cn2)no1	ZINC001212295681	889939269	/nfs/dbraw/zinc/93/92/69/889939269.db2.gz	LTAIZZUNYNUCKY-YGRLFVJLSA-N	1	0	358.402	1.150	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1CN(C(=O)Cn2cncc2C)C1	ZINC001006167668	889948035	/nfs/dbraw/zinc/94/80/35/889948035.db2.gz	VPOBHNKRRREPTC-HFTRVMKXSA-N	1	0	360.458	1.136	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1	ZINC000923583841	889948359	/nfs/dbraw/zinc/94/83/59/889948359.db2.gz	UOIRAMQNCLEWHV-OAHLLOKOSA-N	1	0	367.409	1.823	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)COc2cccc(N3CCCC3=O)c2)C1	ZINC000923590782	890001259	/nfs/dbraw/zinc/00/12/59/890001259.db2.gz	CQBBUISQAAFCRU-INIZCTEOSA-N	1	0	355.438	1.406	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)C1	ZINC000923584511	890012162	/nfs/dbraw/zinc/01/21/62/890012162.db2.gz	WVADRCNEKQIZCO-NVXWUHKLSA-N	1	0	359.495	1.495	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc3c(c2)NC(=O)C3)[C@H](OC)C1	ZINC001212311169	890025053	/nfs/dbraw/zinc/02/50/53/890025053.db2.gz	HNSBCDYGRLGSPQ-MORSLUCNSA-N	1	0	357.454	1.965	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1n1ccnn1	ZINC001129288986	890065819	/nfs/dbraw/zinc/06/58/19/890065819.db2.gz	NUWUQFHGMGGUQN-SJORKVTESA-N	1	0	361.490	1.649	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1CN(CC(=O)N2CCCCCC2)C[C@H]1OC	ZINC001212325244	890149773	/nfs/dbraw/zinc/14/97/73/890149773.db2.gz	SZGAEGLBJOQTLL-IAGOWNOFSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]1OC	ZINC001212332837	890221257	/nfs/dbraw/zinc/22/12/57/890221257.db2.gz	MSUAXKIZPKDHDK-GVDBMIGSSA-N	1	0	356.507	1.438	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(NC(=O)CC[N@@H+](C)CCC)CCC1	ZINC001063205197	890295154	/nfs/dbraw/zinc/29/51/54/890295154.db2.gz	FNONHHGVMIEAFP-WMZOPIPTSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(NC(=O)C[N@H+]2CCC[C@@H]2C)CCC1	ZINC001063214929	890340554	/nfs/dbraw/zinc/34/05/54/890340554.db2.gz	XUWQRWGWMCTLLI-BBWFWOEESA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(NC(=O)CC[N@@H+](C)CCC)CCC1	ZINC001063214993	890341944	/nfs/dbraw/zinc/34/19/44/890341944.db2.gz	ZQINQDNBAZPDFU-SJORKVTESA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCCC[C@H]2C(N)=O)c(OC)c1	ZINC000249393327	890345468	/nfs/dbraw/zinc/34/54/68/890345468.db2.gz	SCIYEMWEBRBLFK-ZACQAIPSSA-N	1	0	362.470	1.797	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3C3CCC3)CCC2)CC1	ZINC001063341316	890475467	/nfs/dbraw/zinc/47/54/67/890475467.db2.gz	RDVLLKYIHRENBW-RBUKOAKNSA-N	1	0	371.525	1.923	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(OC)cc2)C[C@H]1C	ZINC001106914721	890824024	/nfs/dbraw/zinc/82/40/24/890824024.db2.gz	ATILIZOTKBZMTE-NVXWUHKLSA-N	1	0	359.470	1.224	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1	ZINC001002201578	892225221	/nfs/dbraw/zinc/22/52/21/892225221.db2.gz	QCGQJBOEZWAEAU-DKIMLUQUSA-N	1	0	363.502	1.273	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1CC(C)(C)C	ZINC001127680581	892510900	/nfs/dbraw/zinc/51/09/00/892510900.db2.gz	WPXYEUZEQHLYCD-MELADBBJSA-N	1	0	352.479	1.165	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@H](C)CC)[C@H](C)C1	ZINC001106922874	892596945	/nfs/dbraw/zinc/59/69/45/892596945.db2.gz	QVPHHGCOJVWLRR-MBOZVWFJSA-N	1	0	369.509	1.809	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccccc2C#C)C[C@H]1C	ZINC001106922813	892597147	/nfs/dbraw/zinc/59/71/47/892597147.db2.gz	NJDMMWKVTYAATM-FUHIMQAGSA-N	1	0	365.477	1.032	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@H]1C	ZINC001106927473	892978315	/nfs/dbraw/zinc/97/83/15/892978315.db2.gz	QNZDIUHWWFDYRL-HZSPNIEDSA-N	1	0	357.445	1.490	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1	ZINC000940723188	893017515	/nfs/dbraw/zinc/01/75/15/893017515.db2.gz	RSRQNEOSYVFDRT-JCECYMMASA-N	1	0	363.502	1.415	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C2)CCOCC1	ZINC001106932227	893024855	/nfs/dbraw/zinc/02/48/55/893024855.db2.gz	VEMOMJROFRNVLR-HZPDHXFCSA-N	1	0	351.491	1.132	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3nonc3C)[C@H](C)C2)CCOCC1	ZINC001106932282	893026177	/nfs/dbraw/zinc/02/61/77/893026177.db2.gz	YEPDAXNIRHMNNP-GDBMZVCRSA-N	1	0	362.474	1.935	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccc3c[nH]nc3c2)C[C@H]1C	ZINC001106934106	893053825	/nfs/dbraw/zinc/05/38/25/893053825.db2.gz	OCOJTEXWLGWBSB-RHSMWYFYSA-N	1	0	369.469	1.092	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000940741839	893063269	/nfs/dbraw/zinc/06/32/69/893063269.db2.gz	RXRCRPLICUGZLV-NXHRZFHOSA-N	1	0	368.437	1.646	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(OCC)cc2)C[C@H]1C	ZINC001106939768	893105066	/nfs/dbraw/zinc/10/50/66/893105066.db2.gz	KVHVXDQHDXCOJT-JFIYKMOQSA-N	1	0	371.481	1.521	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)CC1(C)C	ZINC000940752409	893122713	/nfs/dbraw/zinc/12/27/13/893122713.db2.gz	BGKBEJCKKVUPQR-IXDOHACOSA-N	1	0	361.490	1.476	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN(C(C)=O)CCO2)C[C@H]1C	ZINC001106935788	893146326	/nfs/dbraw/zinc/14/63/26/893146326.db2.gz	ZKGJCJOXBKRNFQ-BHIYHBOVSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2C[C@H](OCC)C2(C)C)CC1	ZINC000672356274	893171781	/nfs/dbraw/zinc/17/17/81/893171781.db2.gz	RLSLVYGGLBTSMR-IRXDYDNUSA-N	1	0	365.518	1.805	20	30		FDEDRO
C=C[C@@H]1CCCCN1C(=O)C(=O)NCc1ccccc1OCC[NH+](C)C	ZINC001117121368	893610863	/nfs/dbraw/zinc/61/08/63/893610863.db2.gz	CUFMNZDWKKBEAJ-QGZVFWFLSA-N	1	0	359.470	1.810	20	30		FDEDRO
CC[C@H](C(=O)N[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H]1OC)[NH+](C)C	ZINC001212460687	893830678	/nfs/dbraw/zinc/83/06/78/893830678.db2.gz	JPPYMCZMSMBFLT-KZNAEPCWSA-N	1	0	362.449	1.353	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(Cl)s2)C[C@H]1C	ZINC001106947722	893856003	/nfs/dbraw/zinc/85/60/03/893856003.db2.gz	IKAAHDYLWFKUMQ-VXGBXAGGSA-N	1	0	353.875	1.449	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2	ZINC001002795782	893994191	/nfs/dbraw/zinc/99/41/91/893994191.db2.gz	MYDMJJJHUBSGEH-YJNKXOJESA-N	1	0	353.894	1.965	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C3)cc1	ZINC001002802820	893999178	/nfs/dbraw/zinc/99/91/78/893999178.db2.gz	MWSJPIRZIUPDPO-MANSERQUSA-N	1	0	351.450	1.481	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1	ZINC000672579781	894035592	/nfs/dbraw/zinc/03/55/92/894035592.db2.gz	RNPFETOEXMSIQK-GOSISDBHSA-N	1	0	371.481	1.954	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3c(s2)CCC3)C[C@H]1C	ZINC001106951172	894095954	/nfs/dbraw/zinc/09/59/54/894095954.db2.gz	VLJXGOROXLDREE-UKRRQHHQSA-N	1	0	361.511	1.837	20	30		FDEDRO
Cc1noc(CCC[N@@H+]2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)n1	ZINC001084293561	913841335	/nfs/dbraw/zinc/84/13/35/913841335.db2.gz	LUYKBEOCYKZAIQ-CZUORRHYSA-N	1	0	354.414	1.357	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1	ZINC000941211506	894260318	/nfs/dbraw/zinc/26/03/18/894260318.db2.gz	HISMAQMFVIGRID-SQNIBIBYSA-N	1	0	363.502	1.369	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cncc(OC(C)C)c1	ZINC000922023130	894420478	/nfs/dbraw/zinc/42/04/78/894420478.db2.gz	UCXYCCUNMMYRDK-UHFFFAOYSA-N	1	0	351.472	1.587	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)CCC(=O)N2CCOCC2)C[C@H]1C	ZINC001106953259	894461222	/nfs/dbraw/zinc/46/12/22/894461222.db2.gz	PAJAJWCJKPVKRM-IAGOWNOFSA-N	1	0	351.491	1.276	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)CCOCc1ccccc1	ZINC000922022052	894481106	/nfs/dbraw/zinc/48/11/06/894481106.db2.gz	FJZVAOYREJSFFN-UHFFFAOYSA-N	1	0	350.484	1.562	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000922024772	894512125	/nfs/dbraw/zinc/51/21/25/894512125.db2.gz	SKOVMLULOTUPQX-UHFFFAOYSA-N	1	0	351.859	1.930	20	30		FDEDRO
CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1	ZINC000941901113	895963313	/nfs/dbraw/zinc/96/33/13/895963313.db2.gz	HNPDFODEQDKABS-IAGOWNOFSA-N	1	0	361.486	1.006	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCn2cc(C)nc2C1)C(C)C	ZINC000671082001	896133605	/nfs/dbraw/zinc/13/36/05/896133605.db2.gz	GYFFDYFUFFJXOO-QGZVFWFLSA-N	1	0	373.501	1.349	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2cnc3n2CCOC3)[C@H](OC)C1	ZINC001212425916	896702961	/nfs/dbraw/zinc/70/29/61/896702961.db2.gz	KGKXIQHLSCHCPZ-NVXWUHKLSA-N	1	0	364.490	1.813	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1	ZINC000672011087	896764232	/nfs/dbraw/zinc/76/42/32/896764232.db2.gz	FVOKRRYRJIXVOQ-OAHLLOKOSA-N	1	0	359.470	1.714	20	30		FDEDRO
COCCc1nc(C)c([C@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)s1	ZINC001116460908	896825821	/nfs/dbraw/zinc/82/58/21/896825821.db2.gz	ATIDHSWSVKBGPJ-ISOHDOPZSA-N	1	0	364.471	1.817	20	30		FDEDRO
C=C(Cl)C[C@@H]1NC(=O)N(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C1=O	ZINC000925346777	896951465	/nfs/dbraw/zinc/95/14/65/896951465.db2.gz	VYDXJPHPTFPTGJ-PIGZVRMJSA-N	1	0	368.865	1.133	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(-n3cnnn3)c2)C[C@H]1C	ZINC001106970765	897125057	/nfs/dbraw/zinc/12/50/57/897125057.db2.gz	SCENUEZSYBNZFX-IUODEOHRSA-N	1	0	360.849	1.713	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1	ZINC001000217791	897229747	/nfs/dbraw/zinc/22/97/47/897229747.db2.gz	IQFQUXWLGVQKBC-SQNIBIBYSA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COc2ccc(C)c(C)c2)C[C@H]1C	ZINC001106976535	897291444	/nfs/dbraw/zinc/29/14/44/897291444.db2.gz	MZSGAAYQDOKWFR-QZTJIDSGSA-N	1	0	371.481	1.116	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](OC)C2)CC1	ZINC000942552896	897334875	/nfs/dbraw/zinc/33/48/75/897334875.db2.gz	OOGNXEITSFNHEP-QZTJIDSGSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2c(C)nc(C)[nH]c2=O)C[C@H]1C	ZINC001106980173	897390470	/nfs/dbraw/zinc/39/04/70/897390470.db2.gz	XETWBCRIXMYPDV-CZUORRHYSA-N	1	0	362.474	1.228	20	30		FDEDRO
N#CCN1CC[C@H](CN(Cc2cccnc2)C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1	ZINC000995269985	897675300	/nfs/dbraw/zinc/67/53/00/897675300.db2.gz	ZNMVRCSAUCYHOF-RCCFBDPRSA-N	1	0	364.453	1.782	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCC3(F)F)C[C@H]2O)cn1	ZINC001078032550	897678043	/nfs/dbraw/zinc/67/80/43/897678043.db2.gz	UDQCCUGGJRLYGF-DJIMGWMZSA-N	1	0	363.408	1.663	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1O	ZINC001078082126	897907470	/nfs/dbraw/zinc/90/74/70/897907470.db2.gz	CYCVAMSTXCTPRY-IPMKNSEASA-N	1	0	356.466	1.187	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](N(CC)C(=O)C23CC[NH+](CC2)C3)C1	ZINC000942879326	898001087	/nfs/dbraw/zinc/00/10/87/898001087.db2.gz	WECCWVWSUOVABA-ZACQAIPSSA-N	1	0	361.486	1.123	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3csc(C)c3)C[C@H]2O)CC1	ZINC001078226940	898426771	/nfs/dbraw/zinc/42/67/71/898426771.db2.gz	AHJGPKQSXHTLTL-QZTJIDSGSA-N	1	0	361.511	1.063	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H](NC(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000943278742	898587770	/nfs/dbraw/zinc/58/77/70/898587770.db2.gz	HWNIFIMANOFERN-HSALFYBXSA-N	1	0	371.525	1.875	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001078472212	898802504	/nfs/dbraw/zinc/80/25/04/898802504.db2.gz	QXGNZHSQOCKALJ-AQNXPRMDSA-N	1	0	369.465	1.856	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cc(C)ns2)C1	ZINC001078473585	898805477	/nfs/dbraw/zinc/80/54/77/898805477.db2.gz	DXOLJAZPUZCECQ-UAGQMJEPSA-N	1	0	365.499	1.750	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccn2c[nH+]cc2c1	ZINC001078533282	898878705	/nfs/dbraw/zinc/87/87/05/898878705.db2.gz	GYBRVFGMDMCPRZ-XKQJLSEDSA-N	1	0	356.426	1.550	20	30		FDEDRO
N#Cc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(F)c1	ZINC001001400961	898967509	/nfs/dbraw/zinc/96/75/09/898967509.db2.gz	WHTOSFOOMOFBKA-NVXWUHKLSA-N	1	0	360.389	1.691	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)nc1	ZINC000943712954	899227209	/nfs/dbraw/zinc/22/72/09/899227209.db2.gz	IZPKLHLKNVTIME-VDHUWJSZSA-N	1	0	368.481	1.560	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3cccc(F)c3o2)C[C@H]1C	ZINC001107008519	899447464	/nfs/dbraw/zinc/44/74/64/899447464.db2.gz	OFNPJHKIMZCTBL-UKRRQHHQSA-N	1	0	371.412	1.619	20	30		FDEDRO
CCCCC[C@H](CC)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001107014762	899544799	/nfs/dbraw/zinc/54/47/99/899544799.db2.gz	CFJZAFHQLHEZLM-IXDOHACOSA-N	1	0	350.507	1.917	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCCNC1=O	ZINC001107016709	899549728	/nfs/dbraw/zinc/54/97/28/899549728.db2.gz	APRFSNNIKVUUNP-BHIYHBOVSA-N	1	0	353.466	1.391	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCN(C)C1=O	ZINC001107016972	899553349	/nfs/dbraw/zinc/55/33/49/899553349.db2.gz	JRGOJUHXNWSUKU-QRQLOZEOSA-N	1	0	353.466	1.343	20	30		FDEDRO
CN1CC[C@@H](CC(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)C1=O	ZINC001084430326	914364970	/nfs/dbraw/zinc/36/49/70/914364970.db2.gz	JTXXAXNVTRLOIZ-IPMKNSEASA-N	1	0	366.465	1.459	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)n2c(C)ccc2C)C[C@H]1C	ZINC001107031167	899677255	/nfs/dbraw/zinc/67/72/55/899677255.db2.gz	KYMSXLRIKQMVGA-ZTFGCOKTSA-N	1	0	360.502	1.652	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCN2C(=O)[C@@H]2C[C@H]2C2CC2)CC1	ZINC000944047011	899742981	/nfs/dbraw/zinc/74/29/81/899742981.db2.gz	ZVAWAVCAGUJZBK-CEXWTWQISA-N	1	0	357.498	1.485	20	30		FDEDRO
CNC(=O)NC(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1	ZINC001107033096	899777398	/nfs/dbraw/zinc/77/73/98/899777398.db2.gz	GZPNEWHFCNEDEQ-RHSMWYFYSA-N	1	0	371.485	1.450	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)c2cccc(OC)c2)C[C@H]1C	ZINC001107040621	900043883	/nfs/dbraw/zinc/04/38/83/900043883.db2.gz	JRFZCTFKMCANLB-JFIYKMOQSA-N	1	0	371.481	1.232	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@]2(C)CCC(C)=C(C)C2)C[C@H]1C	ZINC001107056566	900189216	/nfs/dbraw/zinc/18/92/16/900189216.db2.gz	ZCPJDLQPRJJKJC-DBXWQHBBSA-N	1	0	359.514	1.947	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]CCn3cncn3)[C@H](C)C2)CCCCC1	ZINC001107057157	900242509	/nfs/dbraw/zinc/24/25/09/900242509.db2.gz	OWGRHAIZECWCML-QZTJIDSGSA-N	1	0	357.502	1.936	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3nncn3C)[C@H](C)C2)CCCCC1	ZINC001107059121	900309752	/nfs/dbraw/zinc/30/97/52/900309752.db2.gz	SWSLTDZGLDDYHA-IAGOWNOFSA-N	1	0	357.502	1.973	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCC3)[C@H](C)C2)CCCCC1	ZINC001107059168	900311641	/nfs/dbraw/zinc/31/16/41/900311641.db2.gz	VSXCUPIEPGYHBR-QZTJIDSGSA-N	1	0	359.514	1.877	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NCCCC)[C@H](C)C1	ZINC001107062547	900372898	/nfs/dbraw/zinc/37/28/98/900372898.db2.gz	MWEYPONUOUZAJY-BRWVUGGUSA-N	1	0	353.507	1.568	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc3n2CCCC3)[C@H](C)C1	ZINC001107062965	900392641	/nfs/dbraw/zinc/39/26/41/900392641.db2.gz	XQTSVZYVHXPLCT-BZUAXINKSA-N	1	0	361.490	1.390	20	30		FDEDRO
CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@H]1CCCN(c2cccc(F)c2)C1	ZINC000185516327	900416181	/nfs/dbraw/zinc/41/61/81/900416181.db2.gz	ZMFLCTMIBJCFLI-INIZCTEOSA-N	1	0	363.481	1.826	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)Cc2ccccc2)[C@H](C)C1	ZINC001107063126	900448174	/nfs/dbraw/zinc/44/81/74/900448174.db2.gz	CHKFUENUFRBJPU-RLLQIKCJSA-N	1	0	360.498	1.867	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2nc(COC)no2)[C@H](C)C1	ZINC001107063312	900449328	/nfs/dbraw/zinc/44/93/28/900449328.db2.gz	KIDWAAGCAZQMOC-QLFBSQMISA-N	1	0	366.462	1.554	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CCCN2CCCC2=O)[C@H](C)C1	ZINC001107065841	900457741	/nfs/dbraw/zinc/45/77/41/900457741.db2.gz	ZJOJIDQNPHOTFY-IXDOHACOSA-N	1	0	351.491	1.274	20	30		FDEDRO
C[C@@H]1CN(C(=O)COC[C@@H]2CCCO2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001107089894	900801655	/nfs/dbraw/zinc/80/16/55/900801655.db2.gz	CFRITJOQBGOBLE-AHRSYUTCSA-N	1	0	371.481	1.938	20	30		FDEDRO
N#Cc1nccnc1N1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1	ZINC001090325309	901688523	/nfs/dbraw/zinc/68/85/23/901688523.db2.gz	BKLGVOVGBBLQFH-FUHWJXTLSA-N	1	0	368.485	1.651	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2CN(c3ccc(C#N)nc3)C[C@H]21	ZINC001090341421	901760072	/nfs/dbraw/zinc/76/00/72/901760072.db2.gz	WZTXCCGPVKMLEJ-JCGIZDLHSA-N	1	0	359.449	1.670	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2CN(c3cncc(C#N)n3)C[C@H]21	ZINC001090341516	901765166	/nfs/dbraw/zinc/76/51/66/901765166.db2.gz	YOAQQZJGACBUQC-CWRNSKLLSA-N	1	0	360.437	1.065	20	30		FDEDRO
C[NH+]=C(NCC(=O)Nc1ccccc1)N1CCN(C(=O)c2ccco2)CC1	ZINC000073179900	901797577	/nfs/dbraw/zinc/79/75/77/901797577.db2.gz	XJPKLESWTZLCJH-UHFFFAOYSA-N	1	0	369.425	1.252	20	30		FDEDRO
CCc1nc(C#N)cc(N2CCC(C)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1	ZINC001065115416	901856251	/nfs/dbraw/zinc/85/62/51/901856251.db2.gz	JATOGRFQVRKCOK-GDBMZVCRSA-N	1	0	370.501	1.726	20	30		FDEDRO
Cn1cncc1[C@@H]1C[C@H]1C(=O)NC1(C)CCN(c2ccc(C#N)nn2)CC1	ZINC001065108233	901866112	/nfs/dbraw/zinc/86/61/12/901866112.db2.gz	AGYWQCDCZALJNF-HUUCEWRRSA-N	1	0	365.441	1.361	20	30		FDEDRO
N#Cc1cc(C(=O)N(Cc2ccccc2)[C@@H]2C[N@@H+](CC3CC3)C[C@H]2O)c[nH]1	ZINC001079131136	901940724	/nfs/dbraw/zinc/94/07/24/901940724.db2.gz	CFEBRJFRPWVECH-WOJBJXKFSA-N	1	0	364.449	1.984	20	30		FDEDRO
N#CCN[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC[C@H]1c1ccc(F)cc1	ZINC001079152384	901987255	/nfs/dbraw/zinc/98/72/55/901987255.db2.gz	KBDGYQBYIWSCDE-SLFFLAALSA-N	1	0	370.472	1.965	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2[nH]c(=O)[nH]c2C)C1	ZINC001079137178	902012300	/nfs/dbraw/zinc/01/23/00/902012300.db2.gz	ZMGSQXYNMJAALB-IAGOWNOFSA-N	1	0	370.453	1.687	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnc(C)n2C)C1	ZINC001079141694	902034115	/nfs/dbraw/zinc/03/41/15/902034115.db2.gz	SOXAIWPNSMEFPG-WOJBJXKFSA-N	1	0	366.465	1.439	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CCn2cccn2)C1	ZINC001079174668	902056740	/nfs/dbraw/zinc/05/67/40/902056740.db2.gz	BPRBZRKNADHFSB-JCGIZDLHSA-N	1	0	355.417	1.766	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]Cc2ccnn2C)C1	ZINC001079174825	902057851	/nfs/dbraw/zinc/05/78/51/902057851.db2.gz	JBABNRDIVRGVLB-JEBQAFNWSA-N	1	0	355.417	1.803	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]Cc2cncn2C)C1	ZINC001079174975	902058222	/nfs/dbraw/zinc/05/82/22/902058222.db2.gz	OYKYDAWWXPFLAK-JEBQAFNWSA-N	1	0	355.417	1.803	20	30		FDEDRO
CCn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1c1cccc(F)c1	ZINC001079175098	902058271	/nfs/dbraw/zinc/05/82/71/902058271.db2.gz	WDZKITYOTPGKSF-DOPJRALCSA-N	1	0	370.432	1.681	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2COCCN2C)C[C@H]1c1cccc(F)c1	ZINC001079180382	902067203	/nfs/dbraw/zinc/06/72/03/902067203.db2.gz	QTNQTIQMRKRYDR-IPMKNSEASA-N	1	0	361.461	1.616	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1c1cccc(F)c1)C(N)=O	ZINC001079180174	902067492	/nfs/dbraw/zinc/06/74/92/902067492.db2.gz	DPFXDWQLHYVMFZ-ZTFRIQLXSA-N	1	0	369.400	1.097	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2C)CC[C@H]1c1ccc(F)cc1	ZINC001079155627	902071264	/nfs/dbraw/zinc/07/12/64/902071264.db2.gz	KJERHNLOSIYATO-GBESFXJTSA-N	1	0	371.456	1.744	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)CC[C@H]1c1ccc(F)cc1	ZINC001079158197	902079342	/nfs/dbraw/zinc/07/93/42/902079342.db2.gz	XDQSKZRIIYCCPH-QKLQHJQFSA-N	1	0	359.445	1.812	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCCC[NH+]1CCN(C(C)=O)CC1	ZINC001079160720	902084836	/nfs/dbraw/zinc/08/48/36/902084836.db2.gz	GWHDWHBVSQNSCX-ROUUACIJSA-N	1	0	351.491	1.418	20	30		FDEDRO
C=CCCC(=O)N1CC[NH+](CCCCCNC(=O)[C@H]2OCC[C@H]2C)CC1	ZINC001079165848	902096524	/nfs/dbraw/zinc/09/65/24/902096524.db2.gz	JTGMYBNVKRQQKP-MJGOQNOKSA-N	1	0	365.518	1.808	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)nn2)C[C@H]1c1cccc(F)c1	ZINC001079207202	902114447	/nfs/dbraw/zinc/11/44/47/902114447.db2.gz	SYIDLBGINDLFIJ-FUHWJXTLSA-N	1	0	367.428	1.513	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@H]1c1cccc(F)c1	ZINC001079209920	902117123	/nfs/dbraw/zinc/11/71/23/902117123.db2.gz	OAOIILPNPORHQX-LSDHHAIUSA-N	1	0	369.400	1.098	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)C2)C[C@H]1c1cccc(F)c1	ZINC001079210866	902119268	/nfs/dbraw/zinc/11/92/68/902119268.db2.gz	FLVSXIYPXYPYLM-BPQIPLTHSA-N	1	0	359.445	1.764	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)c2)C[C@H]1c1cccc(F)c1	ZINC001079210900	902120357	/nfs/dbraw/zinc/12/03/57/902120357.db2.gz	HNBSQYUKTXFORW-RBUKOAKNSA-N	1	0	354.429	1.709	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1c1cccc(F)c1	ZINC001079182442	902123994	/nfs/dbraw/zinc/12/39/94/902123994.db2.gz	IYXBRPYXMORFNA-LSDHHAIUSA-N	1	0	363.824	1.905	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccn3nnnc3c2)C[C@H]1c1cccc(F)c1	ZINC001079193776	902154400	/nfs/dbraw/zinc/15/44/00/902154400.db2.gz	UWKQWXVQRDZXBM-DLBZAZTESA-N	1	0	364.384	1.094	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)C[C@H]1c1cccc(F)c1	ZINC001079194829	902155486	/nfs/dbraw/zinc/15/54/86/902155486.db2.gz	OXQMJWHOOJMBNA-GVDBMIGSSA-N	1	0	360.433	1.309	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1c1cccc(F)c1	ZINC001079195130	902157431	/nfs/dbraw/zinc/15/74/31/902157431.db2.gz	FXPXOACPGKAICW-RCCFBDPRSA-N	1	0	359.445	1.907	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC3(CC[NH+](CC4CC4)CC3)[C@H]3COC[C@H]32)c1	ZINC001079233286	902168610	/nfs/dbraw/zinc/16/86/10/902168610.db2.gz	MLJWQODXTXLBKT-FUHWJXTLSA-N	1	0	354.454	1.849	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cc(OC)no3)[C@@H]3COC[C@@H]32)CC1	ZINC001079237069	902178824	/nfs/dbraw/zinc/17/88/24/902178824.db2.gz	LNNUBJXRHJMYBB-LSDHHAIUSA-N	1	0	359.426	1.260	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3nn(C)cc3Cl)[C@@H]3COC[C@@H]32)CC1	ZINC001079241930	902195404	/nfs/dbraw/zinc/19/54/04/902195404.db2.gz	KGDARGJCTOJEEJ-DZGCQCFKSA-N	1	0	362.861	1.260	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3COCCO3)[C@@H]3COC[C@@H]32)CC1	ZINC001079226348	902238229	/nfs/dbraw/zinc/23/82/29/902238229.db2.gz	XKJUDHQJTVLILM-KSZLIROESA-N	1	0	364.486	1.307	20	30		FDEDRO
C=C(Cl)CN1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079227360	902240039	/nfs/dbraw/zinc/24/00/39/902240039.db2.gz	PJXPNICSYGJNMI-YESZJQIVSA-N	1	0	367.921	1.773	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)Cc3cc(C)on3)[C@@H]3COC[C@@H]32)CC1	ZINC001079230279	902248614	/nfs/dbraw/zinc/24/86/14/902248614.db2.gz	VKCJJTXMOZYEMY-ZWKOTPCHSA-N	1	0	357.454	1.488	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ccnn3CC(C)C)[C@@H]3COC[C@@H]32)CC1	ZINC001079244692	902249937	/nfs/dbraw/zinc/24/99/37/902249937.db2.gz	AACJQTSXELAKBP-PKOBYXMFSA-N	1	0	370.497	1.725	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC3(F)F)[C@@H]3COC[C@@H]32)CC1	ZINC001079246917	902258539	/nfs/dbraw/zinc/25/85/39/902258539.db2.gz	AUKVMBIJZFVXKL-HRCADAONSA-N	1	0	352.425	1.994	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cnc(Cl)n3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079251096	902270773	/nfs/dbraw/zinc/27/07/73/902270773.db2.gz	FUCDRLPCBKSFQA-DZGCQCFKSA-N	1	0	364.877	1.813	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ccc(COC)o3)[C@@H]3COC[C@@H]32)CC1	ZINC001079251122	902271071	/nfs/dbraw/zinc/27/10/71/902271071.db2.gz	HAUVDFYFKTVZQI-DLBZAZTESA-N	1	0	358.438	1.612	20	30		FDEDRO
C=C[C@H](C(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21)c1ccccc1	ZINC001079273675	902285336	/nfs/dbraw/zinc/28/53/36/902285336.db2.gz	LAPJITMUHVIFRJ-SLFFLAALSA-N	1	0	370.493	1.888	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)Cc3ccc(C)nc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079273651	902285535	/nfs/dbraw/zinc/28/55/35/902285535.db2.gz	JNQJIEGEYLGECH-VQTJNVASSA-N	1	0	367.493	1.895	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CN(C(=O)c3ccnnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079262831	902303380	/nfs/dbraw/zinc/30/33/80/902303380.db2.gz	DCKZCMIDDGRTGS-ZWKOTPCHSA-N	1	0	356.470	1.996	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)C[C@H](C)n3ccnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079263555	902306846	/nfs/dbraw/zinc/30/68/46/902306846.db2.gz	AYNSELKCPPHNKX-OKZBNKHCSA-N	1	0	358.486	1.960	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3nc(CC)oc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079267073	902315474	/nfs/dbraw/zinc/31/54/74/902315474.db2.gz	NZMSLINAIRRNMU-JKSUJKDBSA-N	1	0	357.454	1.732	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ccnc4[nH]cnc43)[C@@H]3COC[C@@H]32)CC1	ZINC001079242981	902338826	/nfs/dbraw/zinc/33/88/26/902338826.db2.gz	DNWHEYPEVCUJTM-JKSUJKDBSA-N	1	0	365.437	1.144	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1c1ccccc1F	ZINC001079299546	902345293	/nfs/dbraw/zinc/34/52/93/902345293.db2.gz	WMVLRBLGSBYLGO-CGTJXYLNSA-N	1	0	359.445	1.955	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)CCn3cc(C)cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079274155	902355319	/nfs/dbraw/zinc/35/53/19/902355319.db2.gz	JPQYFDOTCRHXPM-ZWKOTPCHSA-N	1	0	358.486	1.707	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3ccc(N(C)C)cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079275211	902358170	/nfs/dbraw/zinc/35/81/70/902358170.db2.gz	JCOSKXBVBWUBIE-PKOBYXMFSA-N	1	0	370.497	1.887	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cc(CC)nn2C)C[C@H]1c1ccccc1F	ZINC001079303847	902373635	/nfs/dbraw/zinc/37/36/35/902373635.db2.gz	DJVXAEPEIXOQQB-AZUAARDMSA-N	1	0	368.456	1.882	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC(=O)NC2)C[C@H]1c1ccccc1F	ZINC001079298920	902406224	/nfs/dbraw/zinc/40/62/24/902406224.db2.gz	NICJHXFYNBNGPI-QILLFSRXSA-N	1	0	357.429	1.259	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2nc3ncccn3n2)C[C@H]1c1ccccc1F	ZINC001079315739	902410577	/nfs/dbraw/zinc/41/05/77/902410577.db2.gz	BGCXYSZNQHFHES-GOEBONIOSA-N	1	0	366.400	1.647	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2cnccn2)C[C@H]1c1ccccc1F	ZINC001079317496	902415756	/nfs/dbraw/zinc/41/57/56/902415756.db2.gz	JQLTZYMRXXPNDX-PKOBYXMFSA-N	1	0	352.413	1.766	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc(C(N)=O)n2)C[C@H]1c1ccccc1F	ZINC001079323343	902427366	/nfs/dbraw/zinc/42/73/66/902427366.db2.gz	PMWJLIXASLGEES-KBXCAEBGSA-N	1	0	366.396	1.151	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)cn2)C[C@H]1c1ccccc1F	ZINC001079323058	902427622	/nfs/dbraw/zinc/42/76/22/902427622.db2.gz	KHNPQGUWFOFGLW-MAUKXSAKSA-N	1	0	368.412	1.703	20	30		FDEDRO
C[NH+](C)[C@H](C(=O)N1C[C@H]2CCN(CC#Cc3ccccc3)C[C@H]21)C1CC1	ZINC001084406601	914626833	/nfs/dbraw/zinc/62/68/33/914626833.db2.gz	UBFYABXVJCHJSG-NJYVYQBISA-N	1	0	351.494	1.911	20	30		FDEDRO
C#Cc1cncc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C3)c1	ZINC000995920317	902614612	/nfs/dbraw/zinc/61/46/12/902614612.db2.gz	VKDAYUYVFGCPLP-VSZNYVQBSA-N	1	0	352.438	1.019	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)s2)C(C)(C)C1	ZINC000995923090	902627491	/nfs/dbraw/zinc/62/74/91/902627491.db2.gz	LMFBEPXHWLHZIW-RCBQFDQVSA-N	1	0	363.483	1.750	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H](O)Cc2ccc(F)cc2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC001079538032	902737040	/nfs/dbraw/zinc/73/70/40/902737040.db2.gz	OFQPTWLTARVWOG-OMWUSAIZSA-N	1	0	370.428	1.679	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C#N)c[nH]1)C2	ZINC000996020291	902900250	/nfs/dbraw/zinc/90/02/50/902900250.db2.gz	KBDJWXHPVMUVKT-MXSMSXNCSA-N	1	0	369.469	1.622	20	30		FDEDRO
C=C(Cl)CN1CC[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)[C@@H]2C1	ZINC001084450385	914679111	/nfs/dbraw/zinc/67/91/11/914679111.db2.gz	GYRPJHKPPIIYTO-HZPDHXFCSA-N	1	0	355.910	1.630	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccn3c[nH+]cc3c2)[nH]1	ZINC000996096771	903076126	/nfs/dbraw/zinc/07/61/26/903076126.db2.gz	IPGUODKNTOYTKR-JLSDUUJJSA-N	1	0	374.404	1.710	20	30		FDEDRO
C[C@@H]1CN(Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001079710494	903119808	/nfs/dbraw/zinc/11/98/08/903119808.db2.gz	KKHRAZWOSBKTPR-JSNMRZPZSA-N	1	0	370.472	1.976	20	30		FDEDRO
C[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001079710630	903121644	/nfs/dbraw/zinc/12/16/44/903121644.db2.gz	QAHKHMZHGHVTON-TYCQWZJGSA-N	1	0	369.484	1.956	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1CC(N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)OCC	ZINC001079860196	903547625	/nfs/dbraw/zinc/54/76/25/903547625.db2.gz	WPSUWQCFJFITQN-KBAYOESNSA-N	1	0	365.518	1.757	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)cc2)C[C@H]1C	ZINC001079878281	903602245	/nfs/dbraw/zinc/60/22/45/903602245.db2.gz	QAYLGRZRCUBUEN-AHRSYUTCSA-N	1	0	355.482	1.729	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCc1cn(C2C[NH+](CCCCC)C2)nn1	ZINC001107172995	903608151	/nfs/dbraw/zinc/60/81/51/903608151.db2.gz	WKOZYMNQEMGTHH-MSOLQXFVSA-N	1	0	361.490	1.922	20	30		FDEDRO
CC1(C)CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@@H]1[NH2+]Cc1cccc(C#N)c1	ZINC000996307191	903662988	/nfs/dbraw/zinc/66/29/88/903662988.db2.gz	ZDRBLZAMQNYWNY-SQNIBIBYSA-N	1	0	368.481	1.786	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cccc(C(N)=O)c2)C(C)(C)C1	ZINC000996329767	903707505	/nfs/dbraw/zinc/70/75/05/903707505.db2.gz	JNHRAIYEAADZGF-SQNIBIBYSA-N	1	0	371.481	1.703	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cncc(OC)n2)C(C)(C)C1	ZINC000996331007	903711414	/nfs/dbraw/zinc/71/14/14/903711414.db2.gz	OOEJCFAVHAFNCQ-PMPSAXMXSA-N	1	0	360.458	1.403	20	30		FDEDRO
COc1nc2ccccc2cc1C[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000764140050	903743368	/nfs/dbraw/zinc/74/33/68/903743368.db2.gz	GNDSEKJVZVLGRQ-ZCXUNETKSA-N	1	0	352.394	1.859	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2	ZINC000996544959	904084963	/nfs/dbraw/zinc/08/49/63/904084963.db2.gz	MYDMJJJHUBSGEH-KBXIAJHMSA-N	1	0	353.894	1.965	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3sccc3C)CCC[C@@H]12	ZINC001107253969	904145025	/nfs/dbraw/zinc/14/50/25/904145025.db2.gz	KHPNIHCIGVBMIT-DNVCBOLYSA-N	1	0	359.495	1.780	20	30		FDEDRO
C=C(Br)C[NH2+]C1CCN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC1	ZINC000996581111	904243624	/nfs/dbraw/zinc/24/36/24/904243624.db2.gz	XBDZHBFRKFEYEU-ZWNOBZJWSA-N	1	0	358.280	1.390	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+][C@H]2CCN(C(C)C)C2=O)CC1	ZINC000996600338	904312802	/nfs/dbraw/zinc/31/28/02/904312802.db2.gz	IIEFHWGYLGWRGF-SQNIBIBYSA-N	1	0	363.502	1.558	20	30		FDEDRO
COCCOCC[N@@H+]1CC[C@@]2(CNC(=O)CSCC#N)CCC[C@@H]12	ZINC001107290919	904328698	/nfs/dbraw/zinc/32/86/98/904328698.db2.gz	CMJPBRCCEIUJNV-NVXWUHKLSA-N	1	0	355.504	1.267	20	30		FDEDRO
CC(C)COCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107298009	904340731	/nfs/dbraw/zinc/34/07/31/904340731.db2.gz	DHMNHOORIPLKRK-VQIMIIECSA-N	1	0	364.490	1.050	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cc(C)n(-c3nc(C)cc(C)n3)n2)CC1	ZINC000764332875	904356225	/nfs/dbraw/zinc/35/62/25/904356225.db2.gz	SMKDWHXGKLNUHW-UHFFFAOYSA-N	1	0	366.469	1.805	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCn1cncn1)CC2	ZINC001107318706	904445475	/nfs/dbraw/zinc/44/54/75/904445475.db2.gz	WUPBSXNVXBKNKZ-ZHALLVOQSA-N	1	0	361.490	1.620	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N[C@H](C)C(C)C)CC2	ZINC001107330731	904460699	/nfs/dbraw/zinc/46/06/99/904460699.db2.gz	LHJBMWDEMUMQJU-MBOZVWFJSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(CC)CC)CC2	ZINC001107329105	904493382	/nfs/dbraw/zinc/49/33/82/904493382.db2.gz	IJMIPPUCVYACJN-YLJYHZDGSA-N	1	0	365.518	1.855	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccc(C(N)=O)c1)CC2	ZINC001107336719	904507301	/nfs/dbraw/zinc/50/73/01/904507301.db2.gz	QDGINLVTXXEQGT-WIBUTAKZSA-N	1	0	354.454	1.806	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3cc(C)on3)CCC[C@@H]12	ZINC001107340197	904521205	/nfs/dbraw/zinc/52/12/05/904521205.db2.gz	ONJYHTNIMIVGRT-VQIMIIECSA-N	1	0	360.458	1.189	20	30		FDEDRO
CC(C)(C)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH]c(C#N)c3)CCC[C@@H]12	ZINC001107372767	904600978	/nfs/dbraw/zinc/60/09/78/904600978.db2.gz	QHKVQPRXUSBGEQ-OXQOHEQNSA-N	1	0	371.485	1.775	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3c(C)ccn3C)CCC[C@@H]12	ZINC001107376142	904609487	/nfs/dbraw/zinc/60/94/87/904609487.db2.gz	BRBKFKPOSLFHLQ-OXQOHEQNSA-N	1	0	356.470	1.057	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)n3cccc3)CCC[C@@H]12	ZINC001107367863	904625497	/nfs/dbraw/zinc/62/54/97/904625497.db2.gz	KBQOROUCTPOAHA-MBOZVWFJSA-N	1	0	356.470	1.159	20	30		FDEDRO
CNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccc(C#N)c1)CC2	ZINC001107380191	904645957	/nfs/dbraw/zinc/64/59/57/904645957.db2.gz	NYVDTZKKZPGWBO-YLJYHZDGSA-N	1	0	354.454	1.555	20	30		FDEDRO
C#CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCN(C)S(C)(=O)=O)CC2	ZINC001107384129	904658325	/nfs/dbraw/zinc/65/83/25/904658325.db2.gz	QGRVJBOJKNOKMV-SJLPKXTDSA-N	1	0	369.531	1.042	20	30		FDEDRO
CC(C)NC(=O)NCC[N@@H+]1CC[C@@]2(CNC(=O)C#CC3CC3)CCC[C@@H]12	ZINC001107399639	904729542	/nfs/dbraw/zinc/72/95/42/904729542.db2.gz	AWGXEVMPMIDUAO-YLJYHZDGSA-N	1	0	360.502	1.468	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000764471713	904757894	/nfs/dbraw/zinc/75/78/94/904757894.db2.gz	HATSDQMJROKJJO-UHFFFAOYSA-N	1	0	365.499	1.595	20	30		FDEDRO
C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cc(OC)ccn1)CC2	ZINC001107401563	904779505	/nfs/dbraw/zinc/77/95/05/904779505.db2.gz	UJQJAWCTMOBLLY-OZOXKJRCSA-N	1	0	371.481	1.989	20	30		FDEDRO
CO[C@@H]1C[N@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC001081540539	904798566	/nfs/dbraw/zinc/79/85/66/904798566.db2.gz	HDHOKRBXAPBTQL-NILFDRSVSA-N	1	0	352.385	1.751	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(N(CC)C(=O)C[N@@H+](C)CCC)C1	ZINC001080191808	904862534	/nfs/dbraw/zinc/86/25/34/904862534.db2.gz	BFHINQNUCWCKIW-HKUYNNGSSA-N	1	0	365.518	1.759	20	30		FDEDRO
CNC(=O)NCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2	ZINC001107429291	904865741	/nfs/dbraw/zinc/86/57/41/904865741.db2.gz	FNXPIMVDRYBQEC-WIYYLYMNSA-N	1	0	368.481	1.328	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CCNS(C)(=O)=O)CCC[C@@H]12	ZINC001107429344	904866685	/nfs/dbraw/zinc/86/66/85/904866685.db2.gz	GQNBTYJGJIFMRT-NVXWUHKLSA-N	1	0	357.520	1.253	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)N3C(=O)CCC3=O)CCC[C@@H]12	ZINC001107429280	904867365	/nfs/dbraw/zinc/86/73/65/904867365.db2.gz	FEQAPYHKMRSUTG-HBUWYVDXSA-N	1	0	367.877	1.637	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CCn3c(C)csc3=O)CCC[C@@H]12	ZINC001107435954	904897288	/nfs/dbraw/zinc/89/72/88/904897288.db2.gz	HLZNPQLBUUCCEF-VQIMIIECSA-N	1	0	361.511	1.992	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@]3(CC)CCNC3=O)CCC[C@@H]12	ZINC001107441058	904926155	/nfs/dbraw/zinc/92/61/55/904926155.db2.gz	JOJTYKFRHVNFQA-AHRSYUTCSA-N	1	0	363.502	1.466	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc([C@H]3CCCN3C)n[nH]2)[C@H](OC)C1	ZINC001081699553	904980414	/nfs/dbraw/zinc/98/04/14/904980414.db2.gz	CKGXRZNISPBGEK-KZNAEPCWSA-N	1	0	361.490	1.572	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnn(CCF)c3)CCC[C@@H]12	ZINC001107457779	905028397	/nfs/dbraw/zinc/02/83/97/905028397.db2.gz	OUIMGLRNPNNQEB-IEBWSBKVSA-N	1	0	362.449	1.477	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CCCC(=O)N3)CCC[C@@H]12	ZINC001107467341	905046218	/nfs/dbraw/zinc/04/62/18/905046218.db2.gz	KISGAIDTQPVPLV-SQGPQFPESA-N	1	0	361.486	1.056	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(=O)n(C)c3)CCC[C@@H]12	ZINC001107460959	905060615	/nfs/dbraw/zinc/06/06/15/905060615.db2.gz	NZUMVIMBRNLJCL-YLJYHZDGSA-N	1	0	359.470	1.562	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cnc(C(F)(F)F)nc2)[C@H](OC)C1	ZINC001081831751	905093184	/nfs/dbraw/zinc/09/31/84/905093184.db2.gz	UDMSCHYCJHVWII-CHWSQXEVSA-N	1	0	358.364	1.891	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1OC	ZINC001081865035	905169077	/nfs/dbraw/zinc/16/90/77/905169077.db2.gz	SGIFWUKBAMAWDP-SZVBFZGTSA-N	1	0	360.454	1.717	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CCC)OC)CCC[C@@H]12	ZINC001107497346	905205443	/nfs/dbraw/zinc/20/54/43/905205443.db2.gz	YGDYVNPLRQMBQE-GPMSIDNRSA-N	1	0	351.491	1.465	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3c(C)nn(C)c3C)CCC[C@@H]12	ZINC001107491215	905219725	/nfs/dbraw/zinc/21/97/25/905219725.db2.gz	LSJZAARQORHGEI-YLJYHZDGSA-N	1	0	358.486	1.661	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cn3c(n2)C[C@@H](OC)CC3)[C@H](OC)C1	ZINC001081846765	905224986	/nfs/dbraw/zinc/22/49/86/905224986.db2.gz	HTLKUULFWGKNEG-ZMSDIMECSA-N	1	0	362.474	1.240	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cn3c(n2)C[C@H](OC)CC3)[C@H](OC)C1	ZINC001081846764	905225520	/nfs/dbraw/zinc/22/55/20/905225520.db2.gz	HTLKUULFWGKNEG-BFYDXBDKSA-N	1	0	362.474	1.240	20	30		FDEDRO
CC[C@@H](F)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(CC)CCC#N)CC2	ZINC001107503918	905228161	/nfs/dbraw/zinc/22/81/61/905228161.db2.gz	UPQUIULXUGMJBX-GPMSIDNRSA-N	1	0	366.481	1.857	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CCC)OCC)CCC[C@@H]12	ZINC001107510933	905269578	/nfs/dbraw/zinc/26/95/78/905269578.db2.gz	CQYNMKKUHKDFOC-MBOZVWFJSA-N	1	0	365.518	1.855	20	30		FDEDRO
CCc1c(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)nnn1CC	ZINC001080433213	905420206	/nfs/dbraw/zinc/42/02/06/905420206.db2.gz	VOEXZKWAJURZTC-RHSMWYFYSA-N	1	0	366.469	1.982	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CC(C)C)OC)CCC[C@@H]12	ZINC001107538307	905435223	/nfs/dbraw/zinc/43/52/23/905435223.db2.gz	LNAZQEWJJMRQPT-MBOZVWFJSA-N	1	0	363.502	1.158	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH]c(=O)cc3C)CCC[C@@H]12	ZINC001107541982	905459555	/nfs/dbraw/zinc/45/95/55/905459555.db2.gz	SNEUIRVAZDVQOS-YLJYHZDGSA-N	1	0	357.454	1.720	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1nccn2ccnc12	ZINC001080464011	905468359	/nfs/dbraw/zinc/46/83/59/905468359.db2.gz	CMYHLXLHIIWUMJ-RHSMWYFYSA-N	1	0	360.421	1.851	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cccc(-c3nc[nH]n3)c2)[C@H](OC)C1	ZINC001082016390	905565928	/nfs/dbraw/zinc/56/59/28/905565928.db2.gz	LXUQHJQTYZTDFP-IAGOWNOFSA-N	1	0	355.442	1.867	20	30		FDEDRO
C[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2)C(C)(F)F	ZINC001107554696	905568130	/nfs/dbraw/zinc/56/81/30/905568130.db2.gz	JXAROCPJWICELA-OGHNNQOOSA-N	1	0	356.417	1.278	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3(CF)CCC3)CCC[C@@H]12	ZINC001107555842	905578886	/nfs/dbraw/zinc/57/88/86/905578886.db2.gz	WQOPLMOPWYSPGW-RDTXWAMCSA-N	1	0	350.438	1.127	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001080593080	905714518	/nfs/dbraw/zinc/71/45/18/905714518.db2.gz	ICMCUINLYLKYFI-NOCIGQNYSA-N	1	0	354.454	1.061	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]2C)cc1	ZINC001080575087	905726628	/nfs/dbraw/zinc/72/66/28/905726628.db2.gz	DGDPPZCKTOWYBV-VQIMIIECSA-N	1	0	369.465	1.371	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ncccc3F)CCC[C@@H]12	ZINC001107586323	905832530	/nfs/dbraw/zinc/83/25/30/905832530.db2.gz	QFXCSISCAMWOBL-DNVCBOLYSA-N	1	0	360.433	1.497	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)CCc3ncccn3)CCC[C@@H]12	ZINC001107586156	905833044	/nfs/dbraw/zinc/83/30/44/905833044.db2.gz	ICXZREVTOLGELR-YLJYHZDGSA-N	1	0	358.486	1.973	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@]3(CNC(=O)Cc4ccco4)CCC[C@@H]23)C1=O	ZINC001107586455	905836872	/nfs/dbraw/zinc/83/68/72/905836872.db2.gz	YMGUPSSSUOXHJW-WAOWUJCRSA-N	1	0	371.481	1.970	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNC(=O)CSCC#N)CC[N@@H+]1C	ZINC001082103449	905877734	/nfs/dbraw/zinc/87/77/34/905877734.db2.gz	LSJJPTWKOLOKJE-QLFBSQMISA-N	1	0	352.504	1.081	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H](OC)C1	ZINC001082132579	905925309	/nfs/dbraw/zinc/92/53/09/905925309.db2.gz	JFGIIGWMTZRUBL-CPUCHLNUSA-N	1	0	361.889	1.767	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)CCC(=O)NCCCOC)CCC[C@@H]12	ZINC001107604304	905946688	/nfs/dbraw/zinc/94/66/88/905946688.db2.gz	QCERADFDDKDPDZ-VQIMIIECSA-N	1	0	351.491	1.466	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)CCC(=O)N3CCOCC3)CCC[C@@H]12	ZINC001107625737	906040884	/nfs/dbraw/zinc/04/08/84/906040884.db2.gz	LIRMYBSFOVKNEW-YLJYHZDGSA-N	1	0	363.502	1.562	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3c(C)nc(C)[nH]c3=O)CCC[C@@H]12	ZINC001107631521	906077720	/nfs/dbraw/zinc/07/77/20/906077720.db2.gz	QDNXDSLRHZLVJV-YLJYHZDGSA-N	1	0	356.470	1.726	20	30		FDEDRO
CC(=O)N1CC[C@](C)(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2C)C1	ZINC001080738576	906082797	/nfs/dbraw/zinc/08/27/97/906082797.db2.gz	LPDJJYJVSKKZID-VMRPVKRXSA-N	1	0	368.481	1.753	20	30		FDEDRO
Cc1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)c(C)n1C	ZINC001107628665	906105633	/nfs/dbraw/zinc/10/56/33/906105633.db2.gz	BGBDQKXAMTZVAF-YLJYHZDGSA-N	1	0	371.485	1.256	20	30		FDEDRO
N#Cc1ccccc1C[N@@H+]1CC[C@@]2(CNC(=O)CCNC(N)=O)CCC[C@@H]12	ZINC001107628864	906109388	/nfs/dbraw/zinc/10/93/88/906109388.db2.gz	JJAUXDUJGQBTDD-YLJYHZDGSA-N	1	0	369.469	1.477	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)CCNC(=O)c3cnccn3)CCC[C@@H]12	ZINC001107639087	906189674	/nfs/dbraw/zinc/18/96/74/906189674.db2.gz	VBXZJYGTRSWVIE-YLJYHZDGSA-N	1	0	371.485	1.533	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@]3(CNC(=O)Cc4ccc[nH]4)CCC[C@@H]23)C1=O	ZINC001107639655	906192477	/nfs/dbraw/zinc/19/24/77/906192477.db2.gz	BBQHXBGAWWLFNZ-WAOWUJCRSA-N	1	0	370.497	1.705	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)CCS(=O)(=O)N(C)C)CCC[C@@H]12	ZINC001107640637	906199887	/nfs/dbraw/zinc/19/98/87/906199887.db2.gz	AGCPPWMBHWQSEJ-SJLPKXTDSA-N	1	0	371.547	1.595	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCCC1)CC2	ZINC001107650960	906227191	/nfs/dbraw/zinc/22/71/91/906227191.db2.gz	NUVHPALIYVMQNK-SQGPQFPESA-N	1	0	363.502	1.561	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)COC[C@@H]3CCCO3)CCC[C@@H]12	ZINC001107654554	906252808	/nfs/dbraw/zinc/25/28/08/906252808.db2.gz	CFLBFDFBQYRQSV-NLWGTHIKSA-N	1	0	364.486	1.193	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3nn(CC)nc3C)CCC[C@@H]12	ZINC001107655215	906258040	/nfs/dbraw/zinc/25/80/40/906258040.db2.gz	UIDYYGGVCMWXMP-VQIMIIECSA-N	1	0	361.490	1.783	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)CS(C)(=O)=O)CCC[C@@H]12	ZINC001107647187	906270457	/nfs/dbraw/zinc/27/04/57/906270457.db2.gz	ICNADKSEICPCFB-LZLYRXPVSA-N	1	0	356.532	1.994	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](CC(C)C)C(N)=O)CCC[C@@H]12	ZINC001107656368	906297801	/nfs/dbraw/zinc/29/78/01/906297801.db2.gz	NTCAFNDUXARDJI-MBOZVWFJSA-N	1	0	365.518	1.697	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](CCCC3CCC3)C[C@H]2OC)nn1	ZINC001082219053	906321923	/nfs/dbraw/zinc/32/19/23/906321923.db2.gz	RQKTZYNIBSCMHL-SJLPKXTDSA-N	1	0	361.490	1.864	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)c3ccc(F)cc3)C[C@H]2C)nc1	ZINC001080810373	906360331	/nfs/dbraw/zinc/36/03/31/906360331.db2.gz	IMMKHIJTUBLVJC-XMCHAPAWSA-N	1	0	367.424	1.986	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)c3ccc(F)cc3)C[C@H]2C)nc1	ZINC001080810372	906361090	/nfs/dbraw/zinc/36/10/90/906361090.db2.gz	IMMKHIJTUBLVJC-JSNMRZPZSA-N	1	0	367.424	1.986	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2[nH]ncc2Br)[C@H](OC)C1	ZINC001082247270	906406301	/nfs/dbraw/zinc/40/63/01/906406301.db2.gz	NDQVQOAFNJXSKD-VXGBXAGGSA-N	1	0	357.252	1.567	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001080877617	906563944	/nfs/dbraw/zinc/56/39/44/906563944.db2.gz	FGORSFHNCVQAHK-BRWVUGGUSA-N	1	0	365.518	1.399	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc3c([nH]c2=O)CCOC3)[C@H](OC)C1	ZINC001082317926	906762978	/nfs/dbraw/zinc/76/29/78/906762978.db2.gz	OQYVCLPRCAKNSQ-IAGOWNOFSA-N	1	0	361.442	1.255	20	30		FDEDRO
C#Cc1cncc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C3)c1	ZINC000997007014	906904830	/nfs/dbraw/zinc/90/48/30/906904830.db2.gz	KMKNZNKGZXDPOY-HBRVENNYSA-N	1	0	366.465	1.265	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2cn(C(C)(C)C)nn2)CC1	ZINC000997011063	906923603	/nfs/dbraw/zinc/92/36/03/906923603.db2.gz	GXQRFQDDBRZWDB-SJORKVTESA-N	1	0	361.490	1.705	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCc2cccc(F)c2)C[C@H]1O	ZINC001077697954	906939313	/nfs/dbraw/zinc/93/93/13/906939313.db2.gz	JYWHBLQUPBYDMU-MKXGPGLRSA-N	1	0	362.445	1.511	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3cncc(F)c3)C[C@H]2C)CC1	ZINC001080998263	906975399	/nfs/dbraw/zinc/97/53/99/906975399.db2.gz	WXRHANFAAIGUTL-DNVCBOLYSA-N	1	0	358.461	1.502	20	30		FDEDRO
C[NH+](C)CC(C)(C)CNC(=S)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000727070921	907145522	/nfs/dbraw/zinc/14/55/22/907145522.db2.gz	OMFKIFBANLHLKQ-UHFFFAOYSA-N	1	0	360.531	1.538	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)N2CCCC2)C1	ZINC001081096794	907152331	/nfs/dbraw/zinc/15/23/31/907152331.db2.gz	LFZKUKADNBTDEN-RYQLBKOJSA-N	1	0	354.454	1.353	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)COC)C[C@H]2c2ccccc2)C1=O	ZINC001081071056	907166532	/nfs/dbraw/zinc/16/65/32/907166532.db2.gz	MBYHKPFLYGHGKC-OKZBNKHCSA-N	1	0	357.454	1.004	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nnc(C3CC3)[nH]2)CC1	ZINC000997079680	907196890	/nfs/dbraw/zinc/19/68/90/907196890.db2.gz	JYPZYPFJMCQRAW-RDJZCZTQSA-N	1	0	359.474	1.744	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+][C@H]2CCN(C(C)C)C2=O)CC1	ZINC000997084695	907234179	/nfs/dbraw/zinc/23/41/79/907234179.db2.gz	OSEVSDIDFNUZOI-BZSNNMDCSA-N	1	0	363.502	1.558	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1c1ccccc1	ZINC001081133825	907235523	/nfs/dbraw/zinc/23/55/23/907235523.db2.gz	HJWXJHLYJBWOSM-GSEOLPGOSA-N	1	0	357.498	1.866	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ncnn2CC)CC1	ZINC000997085026	907259586	/nfs/dbraw/zinc/25/95/86/907259586.db2.gz	NYPNKJYVTMVVCM-WMZOPIPTSA-N	1	0	361.490	1.750	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCn2cncn2)CC1	ZINC000997096963	907276423	/nfs/dbraw/zinc/27/64/23/907276423.db2.gz	GDQHKWXRAUANFL-NXHRZFHOSA-N	1	0	361.490	1.476	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1c1ccccc1	ZINC001081175319	907305374	/nfs/dbraw/zinc/30/53/74/907305374.db2.gz	WNFBXCVWZFGXPM-FCEWJHQRSA-N	1	0	361.873	1.992	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C[C@H]1c1ccccc1	ZINC001081213594	907319947	/nfs/dbraw/zinc/31/99/47/907319947.db2.gz	GGFRDQQQEXKFPN-UONOGXRCSA-N	1	0	370.409	1.280	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn(CCOC)c2)C[C@H]1c1ccccc1	ZINC001081219402	907330877	/nfs/dbraw/zinc/33/08/77/907330877.db2.gz	AEWWAPIBNOZZNQ-RBUKOAKNSA-N	1	0	352.438	1.361	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)C[C@H]1c1ccccc1	ZINC001081222346	907336554	/nfs/dbraw/zinc/33/65/54/907336554.db2.gz	ZBFZXPIGXQEYGA-YESZJQIVSA-N	1	0	370.453	1.135	20	30		FDEDRO
C#CCN(C(=O)NCC[C@@H]1COc2ccccc2O1)C1CC[NH+](C)CC1	ZINC000921522982	907358472	/nfs/dbraw/zinc/35/84/72/907358472.db2.gz	RYSKRUQBKYNEKR-QGZVFWFLSA-N	1	0	357.454	1.956	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082415569	907646160	/nfs/dbraw/zinc/64/61/60/907646160.db2.gz	OINVMZIJYSWBNY-FZKQIMNGSA-N	1	0	354.385	1.581	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1)C1CC[NH+](C)CC1	ZINC000921540275	907711035	/nfs/dbraw/zinc/71/10/35/907711035.db2.gz	GKJIYHMHLNRPPJ-QAPCUYQASA-N	1	0	351.516	1.780	20	30		FDEDRO
C[C@H](C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O)[NH+]1CCCCCC1	ZINC001077774425	907810490	/nfs/dbraw/zinc/81/04/90/907810490.db2.gz	ZZJNEPRDTUPASV-NSISKUIASA-N	1	0	370.497	1.484	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1O	ZINC001077776594	907844522	/nfs/dbraw/zinc/84/45/22/907844522.db2.gz	WUIBKNOWZCPIDF-VAMGGRTRSA-N	1	0	370.497	1.482	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C)C(=O)N1CCC(C)CC1	ZINC001082464736	907898308	/nfs/dbraw/zinc/89/83/08/907898308.db2.gz	DVDARFUELARWLE-RVKKMQEKSA-N	1	0	371.485	1.583	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1[NH2+]Cc1cccc2c1OCCO2	ZINC001082464898	907900014	/nfs/dbraw/zinc/90/00/14/907900014.db2.gz	PUOHPPARIMBRCG-CXAGYDPISA-N	1	0	366.421	1.908	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1[NH2+]C[C@H]1COc2ccccc2O1	ZINC001082483838	907907589	/nfs/dbraw/zinc/90/75/89/907907589.db2.gz	NMORCVKXQCMQOE-XOKHGSTOSA-N	1	0	366.421	1.776	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2COC(=O)C2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082474332	907929125	/nfs/dbraw/zinc/92/91/25/907929125.db2.gz	IIMPHHCYLKBJIL-SUYBPPKGSA-N	1	0	359.401	1.587	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1)n1cncn1	ZINC001082481659	907955335	/nfs/dbraw/zinc/95/53/35/907955335.db2.gz	JBAJHARAMQWQBJ-PBFPGSCMSA-N	1	0	356.405	1.487	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1[NH2+]C[C@@H](O)c1ccccc1F	ZINC001082482128	907957839	/nfs/dbraw/zinc/95/78/39/907957839.db2.gz	SYJMUCDGPFUHBP-NXOUGTEYSA-N	1	0	356.401	1.809	20	30		FDEDRO
N#Cc1cc(C[NH2+]Cc2ccc(C(=O)N3CCNC(=O)C3)cc2)cs1	ZINC000921548811	907980033	/nfs/dbraw/zinc/98/00/33/907980033.db2.gz	ZLIKFZOBCSTQJY-UHFFFAOYSA-N	1	0	354.435	1.482	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1C[NH+](C)C)C2	ZINC000997213751	908037061	/nfs/dbraw/zinc/03/70/61/908037061.db2.gz	YROJWZNZAZXCPT-ATGSNQNLSA-N	1	0	360.483	1.831	20	30		FDEDRO
CCn1ncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(C#N)ccc3OC)C2)n1	ZINC001082500754	908088992	/nfs/dbraw/zinc/08/89/92/908088992.db2.gz	RSIFZUZTWCYECF-CXAGYDPISA-N	1	0	368.441	1.429	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3sccc3F)C[C@H]2C)C1=O	ZINC001082500825	908089395	/nfs/dbraw/zinc/08/93/95/908089395.db2.gz	XUXKCQVZNVCHKD-MRVWCRGKSA-N	1	0	351.447	1.724	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+][C@@H]1CCc2ccccc2NC1=O	ZINC001082504750	908115906	/nfs/dbraw/zinc/11/59/06/908115906.db2.gz	DRZNGDBYJCPLAS-NIKGAXFTSA-N	1	0	351.450	1.790	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncc(Cl)n2C)C1	ZINC001082519131	908208388	/nfs/dbraw/zinc/20/83/88/908208388.db2.gz	UMSONNAMQFTCEL-TUVASFSCSA-N	1	0	366.893	1.991	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC2(F)F)CC1	ZINC000997357529	908327111	/nfs/dbraw/zinc/32/71/11/908327111.db2.gz	LVLMLEDSTNRXTE-WCVJEAGWSA-N	1	0	365.424	1.235	20	30		FDEDRO
CCN1C[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)CC1=O	ZINC001082543324	908422808	/nfs/dbraw/zinc/42/28/08/908422808.db2.gz	PQEXCWVWOADNOF-ZTFGCOKTSA-N	1	0	354.454	1.363	20	30		FDEDRO
CCN1C[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)CC1=O	ZINC001082543534	908423848	/nfs/dbraw/zinc/42/38/48/908423848.db2.gz	ZSBCKJRXMNPXCB-ZTFGCOKTSA-N	1	0	354.454	1.363	20	30		FDEDRO
COc1ccc(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)cc1C#N	ZINC000921571406	908443422	/nfs/dbraw/zinc/44/34/22/908443422.db2.gz	FSKFPHSEWCNXFF-KRWDZBQOSA-N	1	0	358.442	1.619	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082556427	908581026	/nfs/dbraw/zinc/58/10/26/908581026.db2.gz	PHODQCDDGVUNNP-UWWQBHOKSA-N	1	0	370.453	1.052	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1	ZINC001082560806	908623459	/nfs/dbraw/zinc/62/34/59/908623459.db2.gz	WQERKFSDMZQJJQ-OWCLPIDISA-N	1	0	354.458	1.503	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc4c[nH]ccc-4n3)C[C@H]2C)C1=O	ZINC001082594787	908861023	/nfs/dbraw/zinc/86/10/23/908861023.db2.gz	KNSHDDOTTWBVIL-MZMPZRCHSA-N	1	0	367.453	1.400	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](CNC(=O)CC[N@@H+](C)CC)CC1	ZINC001060849507	908872556	/nfs/dbraw/zinc/87/25/56/908872556.db2.gz	WIURXMWTJHHXOJ-TVFCKZIOSA-N	1	0	365.518	1.711	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082599657	908958003	/nfs/dbraw/zinc/95/80/03/908958003.db2.gz	DEMFRXAQSIDMRQ-FZKQIMNGSA-N	1	0	368.412	1.646	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2CCC(C(N)=O)CC2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082609892	908997141	/nfs/dbraw/zinc/99/71/41/908997141.db2.gz	NCERLJRYWKSIKF-GKSFYBEXSA-N	1	0	368.481	1.786	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082614793	909050535	/nfs/dbraw/zinc/05/05/35/909050535.db2.gz	JWUUVUHTQJIYIN-MLGOLLRUSA-N	1	0	356.451	1.569	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082614900	909052486	/nfs/dbraw/zinc/05/24/86/909052486.db2.gz	RGWYSUCZJZSRJE-FZKQIMNGSA-N	1	0	368.412	1.646	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](CC)[NH+](C)C	ZINC000997542654	909089699	/nfs/dbraw/zinc/08/96/99/909089699.db2.gz	DECWZFNGJPDGAP-TWMKSMIVSA-N	1	0	358.486	1.876	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cncn3C)C[C@H]2C)cc1C#N	ZINC001082621674	909132480	/nfs/dbraw/zinc/13/24/80/909132480.db2.gz	NACZBRPLLLSGQX-CZUORRHYSA-N	1	0	353.426	1.551	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082628379	909160096	/nfs/dbraw/zinc/16/00/96/909160096.db2.gz	WHEBGEGJQUSDBF-FHLIZLRMSA-N	1	0	369.469	1.285	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)ccc2=O)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082635484	909226522	/nfs/dbraw/zinc/22/65/22/909226522.db2.gz	DUPZJBRVMFRZNN-FZKQIMNGSA-N	1	0	368.412	1.646	20	30		FDEDRO
COc1nccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)n1	ZINC001082636195	909233140	/nfs/dbraw/zinc/23/31/40/909233140.db2.gz	AYQFGPHDWIBVGF-SJKOYZFVSA-N	1	0	369.400	1.746	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccc4[nH]ccc4n3)C[C@H]2C)C1=O	ZINC001082640784	909266261	/nfs/dbraw/zinc/26/62/61/909266261.db2.gz	WQMKPICEWCXKRX-JEBQAFNWSA-N	1	0	367.453	1.400	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2nn3c(c2C)OCCC3)[C@H](OC)C1	ZINC001212373326	909324125	/nfs/dbraw/zinc/32/41/25/909324125.db2.gz	HLHFNPDRTRGXDP-NUEKZKHPSA-N	1	0	362.474	1.758	20	30		FDEDRO
C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1	ZINC000997645268	909355778	/nfs/dbraw/zinc/35/57/78/909355778.db2.gz	WJTIPOGDVBMNEJ-YUTCNCBUSA-N	1	0	350.381	1.735	20	30		FDEDRO
CCn1cc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)nn1	ZINC001082657225	909418513	/nfs/dbraw/zinc/41/85/13/909418513.db2.gz	OVLMCNFWFCPYRD-RDTXWAMCSA-N	1	0	352.442	1.349	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082692741	909631514	/nfs/dbraw/zinc/63/15/14/909631514.db2.gz	NMPVCFLULNIRHZ-ISTRZQFTSA-N	1	0	358.417	1.112	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3cnoc3)C[C@H]2C)cc1C#N	ZINC001082699489	909670932	/nfs/dbraw/zinc/67/09/32/909670932.db2.gz	AIXGKGFBLHBYHE-CXAGYDPISA-N	1	0	354.410	1.734	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082704041	909705147	/nfs/dbraw/zinc/70/51/47/909705147.db2.gz	RTIKHGSYPAOHNZ-LSBZLQRGSA-N	1	0	361.417	1.654	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC2CCN(C(=O)[C@H]3OCC[C@H]3CC)CC2)C1=O	ZINC000997838301	909801593	/nfs/dbraw/zinc/80/15/93/909801593.db2.gz	BAVQUVBUNBXBIU-SQNIBIBYSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC2)C1=O	ZINC000997842179	909808001	/nfs/dbraw/zinc/80/80/01/909808001.db2.gz	WVRRSGSMLCZFIY-ZACQAIPSSA-N	1	0	371.485	1.128	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@@H](O)c3ccccc3F)C2)c1	ZINC001082730063	909862820	/nfs/dbraw/zinc/86/28/20/909862820.db2.gz	XSLZPVHCTSJTKG-JSNMRZPZSA-N	1	0	367.424	1.986	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082737535	909913922	/nfs/dbraw/zinc/91/39/22/909913922.db2.gz	CIQLXRHPUYCVRS-FXHACXQTSA-N	1	0	358.417	1.160	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc(C)ccc3F)C[C@H]2C)C1=O	ZINC001082764486	910051594	/nfs/dbraw/zinc/05/15/94/910051594.db2.gz	TZCQOARWYAVKCL-FHLIZLRMSA-N	1	0	359.445	1.971	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2nc(C)cc2C)C1	ZINC001082799286	910217063	/nfs/dbraw/zinc/21/70/63/910217063.db2.gz	HCVKSHFMVXRNES-FDPIWHGQSA-N	1	0	360.502	1.918	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C)(C)N2CCOCC2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082807987	910267638	/nfs/dbraw/zinc/26/76/38/910267638.db2.gz	OQIGWXPEQTYTKT-VQIMIIECSA-N	1	0	370.497	1.606	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2ncccn2)C[C@H]1C	ZINC001082818063	910298077	/nfs/dbraw/zinc/29/80/77/910298077.db2.gz	VZAYTZBQOFFBQW-CZUORRHYSA-N	1	0	351.410	1.607	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cccc(C#N)c2)CC1	ZINC000998077460	910303366	/nfs/dbraw/zinc/30/33/66/910303366.db2.gz	GFOFQYDLROZJNH-MOPGFXCFSA-N	1	0	368.481	1.611	20	30		FDEDRO
Cc1nonc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC001082833841	910391762	/nfs/dbraw/zinc/39/17/62/910391762.db2.gz	HVCSRKHSOCDAOC-PIGZYNQJSA-N	1	0	357.389	1.568	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cn(C)nn2)CC1	ZINC000998138427	910447512	/nfs/dbraw/zinc/44/75/12/910447512.db2.gz	HWRRNTUBMIGIGJ-ROUUACIJSA-N	1	0	361.490	1.515	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[NH2+][C@H]2CCCN(C)C2=O)CC1	ZINC000998147832	910466695	/nfs/dbraw/zinc/46/66/95/910466695.db2.gz	HMPJCANMNKYSRN-BZSNNMDCSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CC(C)(C)CO2)C1	ZINC001082869227	910513685	/nfs/dbraw/zinc/51/36/85/910513685.db2.gz	YHRUNQFPXSJOIR-JFIYKMOQSA-N	1	0	371.481	1.959	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cccc(N(C)C)c3)C[C@H]2C)C1=O	ZINC001082882302	910642473	/nfs/dbraw/zinc/64/24/73/910642473.db2.gz	OJCBHIJWWDOUTD-ATZDWAIDSA-N	1	0	370.497	1.590	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCN(CC)C2=O)C1	ZINC001082884720	910661775	/nfs/dbraw/zinc/66/17/75/910661775.db2.gz	BWQRNTIBIZUDMF-ATZDWAIDSA-N	1	0	353.466	1.268	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2C)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082891468	910676861	/nfs/dbraw/zinc/67/68/61/910676861.db2.gz	JDYYPALAFZHXKY-DAXOMENPSA-N	1	0	360.483	1.567	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCCCCF)C[C@H]2OC)CCOCC1	ZINC001212395953	910751982	/nfs/dbraw/zinc/75/19/82/910751982.db2.gz	VKHPFRQMZQQDLL-IAGOWNOFSA-N	1	0	354.466	1.762	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)COc3ccccc3C)C[C@H]2C)C1=O	ZINC001082896421	910774852	/nfs/dbraw/zinc/77/48/52/910774852.db2.gz	BUMHPZLJFPZPTH-FGTMMUONSA-N	1	0	371.481	1.597	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)C(=O)Nc2cc(C)on2)C[C@H]1C	ZINC001082917422	910904844	/nfs/dbraw/zinc/90/48/44/910904844.db2.gz	AEQSPFSQGWCFMX-LDYMZIIASA-N	1	0	371.235	1.267	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ccn(C)n3)C[C@H]2C)cc1C#N	ZINC001082920744	910919644	/nfs/dbraw/zinc/91/96/44/910919644.db2.gz	BHCLKHROQVTGPT-CXAGYDPISA-N	1	0	353.426	1.551	20	30		FDEDRO
Cc1nccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1	ZINC001082922448	910928407	/nfs/dbraw/zinc/92/84/07/910928407.db2.gz	DODPWIINQLHUMV-FZKQIMNGSA-N	1	0	355.417	1.839	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082932076	910978100	/nfs/dbraw/zinc/97/81/00/910978100.db2.gz	WTSQOXALPRPDLN-DFBGVHRSSA-N	1	0	367.496	1.133	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H]3CCNC3=O)C2)cc1	ZINC001082949612	911064753	/nfs/dbraw/zinc/06/47/53/911064753.db2.gz	XPPMYJBEGWIKMZ-ZTFGCOKTSA-N	1	0	357.454	1.119	20	30		FDEDRO
C=C(Br)CN1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1	ZINC001212403626	911192815	/nfs/dbraw/zinc/19/28/15/911192815.db2.gz	OVEVATSZQPBMHI-CHWSQXEVSA-N	1	0	360.296	1.195	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nn(CC)nc2C)C1	ZINC000998784907	911660324	/nfs/dbraw/zinc/66/03/24/911660324.db2.gz	LFUZFMGTSZNJIW-IOTAOYMUSA-N	1	0	361.490	1.667	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2COCCO2)c(F)c1	ZINC001085139530	921688814	/nfs/dbraw/zinc/68/88/14/921688814.db2.gz	RQVXHOJQHNRIIF-KURKYZTESA-N	1	0	361.417	1.630	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)CCC4CCC4)[C@H]3C2)C1=O	ZINC001083040641	911763091	/nfs/dbraw/zinc/76/30/91/911763091.db2.gz	WPSSKFFRPRRCKS-OKZBNKHCSA-N	1	0	361.486	1.265	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CC[NH+](CC2)C3)cn1	ZINC000998956814	911926173	/nfs/dbraw/zinc/92/61/73/911926173.db2.gz	LDEPJYOYHNREOC-SQNIBIBYSA-N	1	0	364.449	1.020	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)COc3ccc(OC)c(C)c3)[C@H]2C1	ZINC001083105173	912040163	/nfs/dbraw/zinc/04/01/63/912040163.db2.gz	MOWZHLXPYSNKHI-PKOBYXMFSA-N	1	0	358.438	1.317	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CCO[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@@H]21	ZINC001083106377	912048518	/nfs/dbraw/zinc/04/85/18/912048518.db2.gz	ZAXCRNXQJSHCKS-RBUKOAKNSA-N	1	0	369.469	1.176	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCc2nnc(C[NH2+]CC(C)C)n2CC1	ZINC001128041414	912080668	/nfs/dbraw/zinc/08/06/68/912080668.db2.gz	XXZSSYCMALZYGP-OAGGEKHMSA-N	1	0	361.490	1.436	20	30		FDEDRO
C=C(Br)C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC000999143408	912112392	/nfs/dbraw/zinc/11/23/92/912112392.db2.gz	MSBXFIKMKVZICF-OXERLZSKSA-N	1	0	355.276	1.897	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(C)CCC2)C3)CC1	ZINC000999173936	912181761	/nfs/dbraw/zinc/18/17/61/912181761.db2.gz	QTDYHYRPSMTBQY-SQNIBIBYSA-N	1	0	357.498	1.770	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cc3n(n2)CCC3)C1	ZINC000999183765	912192229	/nfs/dbraw/zinc/19/22/29/912192229.db2.gz	XFNVZCAADPVQTA-LZQZEXGQSA-N	1	0	358.486	1.891	20	30		FDEDRO
C=C(Cl)CN1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1	ZINC001084532859	915226809	/nfs/dbraw/zinc/22/68/09/915226809.db2.gz	SAZBHAJTAMRABG-YLADIXGZSA-N	1	0	351.878	1.135	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCNC(=O)CC4)[C@@H]3C2)c1	ZINC001084547855	915310823	/nfs/dbraw/zinc/31/08/23/915310823.db2.gz	QIAIDBQDUBSXPY-IPMKNSEASA-N	1	0	366.465	1.507	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(Cc4ccc(C#N)cc4)C[C@H]32)C1	ZINC001084662577	915921794	/nfs/dbraw/zinc/92/17/94/915921794.db2.gz	PAKNURSDGUGQHS-PWIZWCRZSA-N	1	0	352.482	1.933	20	30		FDEDRO
CCN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(F)cc1	ZINC000730139914	916182904	/nfs/dbraw/zinc/18/29/04/916182904.db2.gz	CYQKFYXXEYDPKG-CQSZACIVSA-N	1	0	366.462	1.845	20	30		FDEDRO
CCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1F	ZINC000730142516	916186770	/nfs/dbraw/zinc/18/67/70/916186770.db2.gz	RZSFDFGVZMTUDC-AWEZNQCLSA-N	1	0	366.462	1.845	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3CC[N@@H+](CCn4nc(C)cc4C)C[C@H]32)nn1	ZINC001084708746	916394046	/nfs/dbraw/zinc/39/40/46/916394046.db2.gz	RONILWGPUXQRRK-SJLPKXTDSA-N	1	0	369.473	1.124	20	30		FDEDRO
O=C(N1C[C@H]2CCN(CC#Cc3ccc(F)cc3)C[C@H]21)C12CC[NH+](CC1)C2	ZINC001084777926	917054931	/nfs/dbraw/zinc/05/49/31/917054931.db2.gz	XHTAHFNSZBPEIB-UYAOXDASSA-N	1	0	367.468	1.806	20	30		FDEDRO
CC(=NNc1nc2[nH][nH]cc-2c(=O)n1)c1cccc(OCC[NH+](C)C)c1	ZINC000731154488	917798322	/nfs/dbraw/zinc/79/83/22/917798322.db2.gz	OGGDAHHNGDSVMC-UHFFFAOYSA-N	1	0	355.402	1.209	20	30		FDEDRO
C#CCNC(=O)COC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C	ZINC000731252633	917919378	/nfs/dbraw/zinc/91/93/78/917919378.db2.gz	KOWAUKUJJYUZEL-INIZCTEOSA-N	1	0	358.438	1.846	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cc(C)on4)C[C@@H]32)C1=O	ZINC001084886207	917994485	/nfs/dbraw/zinc/99/44/85/917994485.db2.gz	QODUXKWCDMPMBZ-UAGQMJEPSA-N	1	0	358.442	1.306	20	30		FDEDRO
N#Cc1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CCC(=O)N4)C[C@@H]32)ccc1F	ZINC001084904830	918188632	/nfs/dbraw/zinc/18/86/32/918188632.db2.gz	FNQZWLLQJOVISI-OLMNPRSZSA-N	1	0	370.428	1.399	20	30		FDEDRO
Cc1nn(C)cc1C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21	ZINC001084915281	918283134	/nfs/dbraw/zinc/28/31/34/918283134.db2.gz	PUBMKFLRIANLEF-QAPCUYQASA-N	1	0	352.442	1.665	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2CC[N@H+](C[C@@H]3CCCS(=O)(=O)C3)[C@H]2C1	ZINC001084937808	918580771	/nfs/dbraw/zinc/58/07/71/918580771.db2.gz	DVARPGIPXNEHDQ-KSZLIROESA-N	1	0	364.511	1.147	20	30		FDEDRO
O=C(CO[C@@H]1CCOC1)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001084939105	918599856	/nfs/dbraw/zinc/59/98/56/918599856.db2.gz	RPLQPOLYDLOTQX-NJYVYQBISA-N	1	0	368.477	1.766	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3nnn(C(C)(C)C)n3)C[C@@H]21	ZINC001084948088	918708619	/nfs/dbraw/zinc/70/86/19/918708619.db2.gz	ISLXRRYNYCVBLK-CVEARBPZSA-N	1	0	360.506	1.860	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc4c3oc(=O)n4C)C[C@@H]21	ZINC001084957476	918838855	/nfs/dbraw/zinc/83/88/55/918838855.db2.gz	ANZMYVSYEQRRJA-PBHICJAKSA-N	1	0	353.422	1.691	20	30		FDEDRO
CNC(=O)CNC(=S)NN=C1CC[NH+](CCc2ccc(F)cc2)CC1	ZINC000731930008	918853779	/nfs/dbraw/zinc/85/37/79/918853779.db2.gz	YSQIHWYNQMDTGM-UHFFFAOYSA-N	1	0	365.478	1.030	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)CC1	ZINC000732037318	918950294	/nfs/dbraw/zinc/95/02/94/918950294.db2.gz	OUMDIMJGFMGKAR-UHFFFAOYSA-N	1	0	363.483	1.044	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cn4c(n3)C[C@H](OC)CC4)C[C@@H]21	ZINC001084969574	918957878	/nfs/dbraw/zinc/95/78/78/918957878.db2.gz	OCJXANBQPAHJLX-NUJGCVRESA-N	1	0	358.486	1.957	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnc4ccccn4c3=O)C[C@@H]21	ZINC001084973466	918991073	/nfs/dbraw/zinc/99/10/73/918991073.db2.gz	UNWAGNQMCZCBTH-WBVHZDCISA-N	1	0	352.438	1.807	20	30		FDEDRO
CN(CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@H]1CC[N@@H+](C2CC2)C1	ZINC000732214802	919217708	/nfs/dbraw/zinc/21/77/08/919217708.db2.gz	XTHBYRNDNIZBRD-GOEBONIOSA-N	1	0	365.437	1.680	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)C[C@@H]21	ZINC001085001066	919453375	/nfs/dbraw/zinc/45/33/75/919453375.db2.gz	SUSBPQSPWIRNFE-ZBFHGGJFSA-N	1	0	358.442	1.075	20	30		FDEDRO
O=C([C@H]1CCNC1=O)N1CC[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)[C@H]2C1	ZINC001085005135	919504310	/nfs/dbraw/zinc/50/43/10/919504310.db2.gz	IWXULDUODLHODR-NEWSRXKRSA-N	1	0	369.440	1.236	20	30		FDEDRO
CN1CC[C@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4cccc(C#N)c4)[C@H]3C2)C1=O	ZINC001085011998	919587335	/nfs/dbraw/zinc/58/73/35/919587335.db2.gz	OOFQWJZVZUAUJX-QYZOEREBSA-N	1	0	366.465	1.459	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)C4(C(N)=O)CC4)C[C@@H]32)c1	ZINC001085021533	919761262	/nfs/dbraw/zinc/76/12/62/919761262.db2.gz	FOCODTWKNZNWOK-SJORKVTESA-N	1	0	352.438	1.247	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)COCCNC(=O)OC(C)(C)C)CC1	ZINC000732555090	919789459	/nfs/dbraw/zinc/78/94/59/919789459.db2.gz	BIWVAAHEFLEMME-UHFFFAOYSA-N	1	0	355.479	1.684	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[N@H+](CCN3C(=O)CNC3=O)[C@H]2C1	ZINC001085024376	919793905	/nfs/dbraw/zinc/79/39/05/919793905.db2.gz	PTSFMSFMFAXNSM-ZRGWGRIASA-N	1	0	362.474	1.063	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)C(C)(C)C(F)F)C[C@@H]32)C1=O	ZINC001085027442	919832763	/nfs/dbraw/zinc/83/27/63/919832763.db2.gz	KXNQNALVIREFJP-ZNMIVQPWSA-N	1	0	369.456	1.987	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3c(F)cccc3NC(N)=O)C[C@@H]21	ZINC001085045037	920009304	/nfs/dbraw/zinc/00/93/04/920009304.db2.gz	UAEYKTROMBONDE-CJNGLKHVSA-N	1	0	358.417	1.876	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ccnc(C)c4)C[C@@H]32)C1=O	ZINC001085060218	920250311	/nfs/dbraw/zinc/25/03/11/920250311.db2.gz	LULYEFRPSGUACZ-WDSOQIARSA-N	1	0	368.481	1.713	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)cc1	ZINC000732871058	920276423	/nfs/dbraw/zinc/27/64/23/920276423.db2.gz	BQIZUJMPEPVUEW-OALUTQOASA-N	1	0	371.481	1.969	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CCC(=O)N4)C[C@@H]32)cc1F	ZINC001085078822	920546545	/nfs/dbraw/zinc/54/65/45/920546545.db2.gz	OWFZMRLZJODYER-JLSDUUJJSA-N	1	0	370.428	1.399	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cn(CC)cn4)C[C@@H]32)C1=O	ZINC001085076264	920561236	/nfs/dbraw/zinc/56/12/36/920561236.db2.gz	VHXWVSBOSHYNMN-SZMVWBNQSA-N	1	0	371.485	1.226	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@]3(C)CCS(=O)(=O)N3)C[C@@H]21	ZINC001085082775	920646000	/nfs/dbraw/zinc/64/60/00/920646000.db2.gz	CGEGULGECGEFMH-SOLBZPMBSA-N	1	0	369.531	1.347	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3nc4ncccn4n3)C[C@@H]21	ZINC001085092800	920809257	/nfs/dbraw/zinc/80/92/57/920809257.db2.gz	QJWLHLWFMFZEPY-CVEARBPZSA-N	1	0	354.458	1.556	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(Cc4nonc4C)[C@H]3C2)CC1	ZINC001085100610	920914130	/nfs/dbraw/zinc/91/41/30/920914130.db2.gz	QDHGHGQDFNSDPG-APWZRJJASA-N	1	0	371.485	1.146	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccncc2C)C1=O	ZINC001085192842	922159260	/nfs/dbraw/zinc/15/92/60/922159260.db2.gz	DCHDAENXVDMLKG-KURKYZTESA-N	1	0	356.470	1.808	20	30		FDEDRO
C#CCCCCCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001065431888	922294048	/nfs/dbraw/zinc/29/40/48/922294048.db2.gz	XJFAMIYLMPZOOB-KZNAEPCWSA-N	1	0	363.502	1.254	20	30		FDEDRO
Cc1cc(C#N)nc(NC[C@]2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001065502605	922327544	/nfs/dbraw/zinc/32/75/44/922327544.db2.gz	HVNPZQYUUMNKHO-OGWOLHLISA-N	1	0	356.474	1.647	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(c4ncc(C#N)cc4F)C[C@H]3C2)CC[N@@H+]1C	ZINC001066079788	922550097	/nfs/dbraw/zinc/55/00/97/922550097.db2.gz	PBJXFVWPPPPJTP-DMRZNYOFSA-N	1	0	357.433	1.327	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2ccncc2C)C1=O	ZINC001085198669	922650148	/nfs/dbraw/zinc/65/01/48/922650148.db2.gz	FRZQJNYLORHNIX-GUDVDZBRSA-N	1	0	370.497	1.736	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O	ZINC001085202852	922673668	/nfs/dbraw/zinc/67/36/68/922673668.db2.gz	AHGWYNDZEMHVIO-VQHPVUNQSA-N	1	0	364.490	1.010	20	30		FDEDRO
CCN1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)CC1=O	ZINC001085216430	922848886	/nfs/dbraw/zinc/84/88/86/922848886.db2.gz	PNIOZPYUJPXWFO-GUDVDZBRSA-N	1	0	368.481	1.944	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCCC1=O	ZINC001085225555	922941536	/nfs/dbraw/zinc/94/15/36/922941536.db2.gz	AWQMUTHICMUUOQ-IAGOWNOFSA-N	1	0	358.486	1.927	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnc[nH]c2=O)cc1	ZINC001085238688	923071781	/nfs/dbraw/zinc/07/17/81/923071781.db2.gz	CIKNUMSBZCWFSL-IAGOWNOFSA-N	1	0	351.410	1.885	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnc[nH]c2=O)s1	ZINC001085238791	923072494	/nfs/dbraw/zinc/07/24/94/923072494.db2.gz	HXELKLTZRMULMZ-HUUCEWRRSA-N	1	0	357.439	1.946	20	30		FDEDRO
CN1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)CC1=O	ZINC001085247655	923146168	/nfs/dbraw/zinc/14/61/68/923146168.db2.gz	VJGSLWHBUYHUGY-IPMKNSEASA-N	1	0	368.481	1.944	20	30		FDEDRO
N#CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cn[nH]n2)cc1	ZINC001085255102	923247556	/nfs/dbraw/zinc/24/75/56/923247556.db2.gz	NPRDANICIKPPPA-HZPDHXFCSA-N	1	0	354.414	1.538	20	30		FDEDRO
C[C@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)CNC(=O)C1	ZINC001085283447	923505141	/nfs/dbraw/zinc/50/51/41/923505141.db2.gz	NUVAEXOIDBSAOT-MBOZVWFJSA-N	1	0	354.454	1.601	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2coc(OC)n2)C1=O	ZINC001085286994	923533831	/nfs/dbraw/zinc/53/38/31/923533831.db2.gz	LPVMNQULJUOXAU-MCIONIFRSA-N	1	0	362.430	1.101	20	30		FDEDRO
CN1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)NC1=O	ZINC001085297639	923633168	/nfs/dbraw/zinc/63/31/68/923633168.db2.gz	NHDUMCJWNRXEFT-ZACQAIPSSA-N	1	0	355.442	1.099	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCN(CC)C2=O)c1	ZINC001085326407	923886949	/nfs/dbraw/zinc/88/69/49/923886949.db2.gz	MMKBIZDLQLPIFX-KZNAEPCWSA-N	1	0	354.454	1.314	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCNC(=O)CC2)c1	ZINC001085325906	923916777	/nfs/dbraw/zinc/91/67/77/923916777.db2.gz	LZJPGKWCWGAQCG-BHIYHBOVSA-N	1	0	368.481	1.610	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCc2ccnn2C)c1	ZINC001085326142	923917880	/nfs/dbraw/zinc/91/78/80/923917880.db2.gz	YGUUAZSZFLMHME-RTBURBONSA-N	1	0	351.454	1.670	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(C2CC2)n1C	ZINC001085335802	923977067	/nfs/dbraw/zinc/97/70/67/923977067.db2.gz	POJFRIHKQLZHMA-VQHPVUNQSA-N	1	0	373.501	1.801	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cncn2C)nn1	ZINC001085358836	924172664	/nfs/dbraw/zinc/17/26/64/924172664.db2.gz	VKOZJHOTACXXLF-HZPDHXFCSA-N	1	0	357.462	1.419	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCn2nc(C)nc2C)cn1	ZINC001085398850	924450121	/nfs/dbraw/zinc/45/01/21/924450121.db2.gz	DGYYGALJUWGWOI-RTBURBONSA-N	1	0	366.469	1.602	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2[nH]cnc2CC)C1=O	ZINC001085409225	924526029	/nfs/dbraw/zinc/52/60/29/924526029.db2.gz	MPUMEKMKVYAYAO-OAGGEKHMSA-N	1	0	359.474	1.390	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2ccc(C)nc2)C1=O	ZINC001085423708	924592563	/nfs/dbraw/zinc/59/25/63/924592563.db2.gz	CNYAWURHLRZNPC-QRVBRYPASA-N	1	0	370.497	1.736	20	30		FDEDRO
CCN1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001085429597	924645790	/nfs/dbraw/zinc/64/57/90/924645790.db2.gz	YUABQACTOPDUFX-AQNXPRMDSA-N	1	0	370.497	1.796	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)N[C@@H](C)c2ccccc2OC)CC1	ZINC000735937301	924685302	/nfs/dbraw/zinc/68/53/02/924685302.db2.gz	GXUYXQKSFHGKKR-HNNXBMFYSA-N	1	0	358.438	1.761	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC1	ZINC001066262985	924804555	/nfs/dbraw/zinc/80/45/55/924804555.db2.gz	JCSMDDMXLMGBCX-NXHRZFHOSA-N	1	0	363.502	1.559	20	30		FDEDRO
COc1ccc(C#N)cc1CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001085604718	924968849	/nfs/dbraw/zinc/96/88/49/924968849.db2.gz	QDJQZHYEQBZPLL-ATZDWAIDSA-N	1	0	370.497	1.940	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cncc(Cl)c2)[C@@H](n2ccnn2)C1	ZINC001129320692	925013568	/nfs/dbraw/zinc/01/35/68/925013568.db2.gz	AARBAYDPARPISD-CVEARBPZSA-N	1	0	360.849	1.948	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	ZINC001085737467	925121149	/nfs/dbraw/zinc/12/11/49/925121149.db2.gz	OHNWMLUZPHSXQB-OTWHNJEPSA-N	1	0	365.518	1.365	20	30		FDEDRO
Cc1cn2cc(NC(=O)NCCNC(=O)C3N=CC=CC3=O)ccc2n1	ZINC000738919981	925212565	/nfs/dbraw/zinc/21/25/65/925212565.db2.gz	MVQHQIYYKBJBNW-FOCLMDBBSA-N	1	0	354.370	1.291	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1	ZINC000740739135	925430342	/nfs/dbraw/zinc/43/03/42/925430342.db2.gz	WSCLZBSTWQXHLH-UHFFFAOYSA-N	1	0	367.409	1.998	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CNC(=O)c2c(F)cccc2Cl)CC1	ZINC000740748566	925434296	/nfs/dbraw/zinc/43/42/96/925434296.db2.gz	PAFDUFXPEPASOX-UHFFFAOYSA-N	1	0	365.836	1.813	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CSCN2C(=O)/C(C)=C/CC)CC1	ZINC000740748362	925435153	/nfs/dbraw/zinc/43/51/53/925435153.db2.gz	FOHDEJXUICUCFS-QRMGNNRRSA-N	1	0	363.527	1.848	20	30		FDEDRO
C=C(Br)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1	ZINC001086157477	926181622	/nfs/dbraw/zinc/18/16/22/926181622.db2.gz	RYPGJPOABGFGPR-SBJFKYEJSA-N	1	0	373.291	1.431	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CCN(C)c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129327321	926244513	/nfs/dbraw/zinc/24/45/13/926244513.db2.gz	TWAFYCREQNYART-MOPGFXCFSA-N	1	0	366.469	1.169	20	30		FDEDRO
C[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C1	ZINC001086200192	926270298	/nfs/dbraw/zinc/27/02/98/926270298.db2.gz	LZJDPTRFWBHZTP-NWGLXNPWSA-N	1	0	357.454	1.998	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nnc3n2CCCC3)C1	ZINC001086201896	926284529	/nfs/dbraw/zinc/28/45/29/926284529.db2.gz	XTYCIQKEMZRUOL-QXSJWSMHSA-N	1	0	359.474	1.190	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(F)cc2)C1	ZINC001086202695	926290101	/nfs/dbraw/zinc/29/01/01/926290101.db2.gz	MJSFPWDSGLERCI-WHUJPVCOSA-N	1	0	362.445	1.935	20	30		FDEDRO
COc1cccc(N=C2NC(=O)C(CC(=O)NCCC[NH+](C)C)S2)c1	ZINC000743277823	926307306	/nfs/dbraw/zinc/30/73/06/926307306.db2.gz	VVZBLHGNGNSYHU-AWEZNQCLSA-N	1	0	364.471	1.372	20	30		FDEDRO
C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001086222044	926332302	/nfs/dbraw/zinc/33/23/02/926332302.db2.gz	XQJBPRULQYQCAL-LKCYJCQHSA-N	1	0	356.470	1.662	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1	ZINC001086223294	926352797	/nfs/dbraw/zinc/35/27/97/926352797.db2.gz	JNGWYWFTKIFNFM-IWSXDTNSSA-N	1	0	359.474	1.231	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CCn2c3ccccc3n(C)c2=O)CC1	ZINC000743490002	926377344	/nfs/dbraw/zinc/37/73/44/926377344.db2.gz	YHJMUMHYXCNTPO-UHFFFAOYSA-N	1	0	354.454	1.334	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)CC1	ZINC000743490838	926378191	/nfs/dbraw/zinc/37/81/91/926378191.db2.gz	WQCGXTHAUGQTQD-MJGOQNOKSA-N	1	0	354.454	1.205	20	30		FDEDRO
C=C(Br)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1	ZINC001086478840	927502403	/nfs/dbraw/zinc/50/24/03/927502403.db2.gz	BONGXHYGBYSGFA-ZDEQEGDKSA-N	1	0	358.280	1.104	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)s1	ZINC001086479746	927510517	/nfs/dbraw/zinc/51/05/17/927510517.db2.gz	VKFRGTKLGGOCES-YIYPIFLZSA-N	1	0	360.483	1.506	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@H]2CCc3ncnn32)C1	ZINC001086503709	927709168	/nfs/dbraw/zinc/70/91/68/927709168.db2.gz	JNGWYWFTKIFNFM-JLOCXQCDSA-N	1	0	359.474	1.231	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1	ZINC000746407145	927952089	/nfs/dbraw/zinc/95/20/89/927952089.db2.gz	VPXGJOOGNQLKJL-JKSUJKDBSA-N	1	0	372.473	1.458	20	30		FDEDRO
N#Cc1c(Cl)c2cc([N+](=O)[O-])ccc2nc1-n1cncc1C[C@@H]([NH3+])CO	ZINC001169072179	928261775	/nfs/dbraw/zinc/26/17/75/928261775.db2.gz	KFCYWIREOFZYQO-SECBINFHSA-N	1	0	372.772	1.716	20	30		FDEDRO
COc1nc(C(=NO)N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1-n1cnc(C)c1	ZINC001169124349	928280575	/nfs/dbraw/zinc/28/05/75/928280575.db2.gz	PZMHHASKJFTFGE-QKDCVEJESA-N	1	0	370.457	1.935	20	30		FDEDRO
C#C[C@](C)(CC)[NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC001169177623	928340910	/nfs/dbraw/zinc/34/09/10/928340910.db2.gz	SLNLQKYONDVVKB-IFXJQAMLSA-N	1	0	359.474	1.384	20	30		FDEDRO
CC[C@H](CC#N)[NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC001169181670	928341955	/nfs/dbraw/zinc/34/19/55/928341955.db2.gz	SMDSUWLGHWCHFN-ZIAGYGMSSA-N	1	0	360.462	1.274	20	30		FDEDRO
C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@@H]1CC[C@H](C(=O)OCC)OC1)C2	ZINC001169320812	928419374	/nfs/dbraw/zinc/41/93/74/928419374.db2.gz	JAYISSMTRRHGGM-JFIYKMOQSA-N	1	0	360.454	1.592	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cc(F)cc(C#N)c1	ZINC000866995581	928656750	/nfs/dbraw/zinc/65/67/50/928656750.db2.gz	HCCSVGMOSVSSBC-DJIMGWMZSA-N	1	0	367.446	1.570	20	30		FDEDRO
CC(=O)N1CCC[C@H]([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1	ZINC001169589348	928762078	/nfs/dbraw/zinc/76/20/78/928762078.db2.gz	PJWMFHPGVJWCDD-IBGZPJMESA-N	1	0	354.454	1.763	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cn(CCC)nc2C)[C@@H](n2ccnn2)C1	ZINC001129342552	928868610	/nfs/dbraw/zinc/86/86/10/928868610.db2.gz	QODBRQLDAUTHGQ-MSOLQXFVSA-N	1	0	371.489	1.815	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cccc(OC)n2)[C@@H](n2ccnn2)C1	ZINC001129359696	929157427	/nfs/dbraw/zinc/15/74/27/929157427.db2.gz	NHCCDLPJOKAWEK-OIISXLGYSA-N	1	0	370.457	1.692	20	30		FDEDRO
C#CCN1CCC[C@@H]([NH2+]Cc2ncc(I)s2)C1	ZINC000886211056	929196639	/nfs/dbraw/zinc/19/66/39/929196639.db2.gz	INBWEWPJGTVQBP-SNVBAGLBSA-N	1	0	361.252	1.935	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)CC(F)(F)F)[C@@H](n2ccnn2)C1	ZINC001129365433	929263772	/nfs/dbraw/zinc/26/37/72/929263772.db2.gz	ASSBSMUCBRMTCN-OLZOCXBDSA-N	1	0	357.380	1.622	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000767459744	929296759	/nfs/dbraw/zinc/29/67/59/929296759.db2.gz	ALDMFUWINZQUNK-MSOLQXFVSA-N	1	0	370.453	1.186	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1coc3c1C(=O)NCCC3)C2	ZINC001109542815	929706932	/nfs/dbraw/zinc/70/69/32/929706932.db2.gz	NSGJMCPHGUHZMT-KBMXLJTQSA-N	1	0	373.453	1.493	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccnn1C	ZINC001109566850	929794454	/nfs/dbraw/zinc/79/44/54/929794454.db2.gz	VKOYTJWDWIPGAM-DOADOZAASA-N	1	0	360.502	1.913	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNC(=O)C(C)(C)C)C2	ZINC001109586063	929862411	/nfs/dbraw/zinc/86/24/11/929862411.db2.gz	GBOAWXPGNLCZEH-PMPSAXMXSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCN(CC(F)F)C1)C2	ZINC001109648752	930009428	/nfs/dbraw/zinc/00/94/28/930009428.db2.gz	AKWCCHRUBKKDBD-NCOADZHNSA-N	1	0	371.472	1.888	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3cncn3)c1)C2	ZINC001109698731	930145826	/nfs/dbraw/zinc/14/58/26/930145826.db2.gz	QMTAIFYBAKPEBZ-NEWSRXKRSA-N	1	0	367.453	1.805	20	30		FDEDRO
C=CCOCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1OCC[C@H]1C)C[C@H](C)O2	ZINC001111550832	930187910	/nfs/dbraw/zinc/18/79/10/930187910.db2.gz	LNHFFOJKHJCTCP-SQNIBIBYSA-N	1	0	366.502	1.696	20	30		FDEDRO
COC(=O)C[C@@]1([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CCCOC1	ZINC000770698677	930210173	/nfs/dbraw/zinc/21/01/73/930210173.db2.gz	MOYRUOHUSMHXTI-KRWDZBQOSA-N	1	0	366.439	1.034	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c3n(c(=O)n1C)CCCC3)C2	ZINC001109721427	930247730	/nfs/dbraw/zinc/24/77/30/930247730.db2.gz	DBMZXQNAVMJBAW-PMPSAXMXSA-N	1	0	358.486	1.824	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COC[C@H]2CCOC2)C3)c1	ZINC001109788356	930423236	/nfs/dbraw/zinc/42/32/36/930423236.db2.gz	FBJKZSAUYSBEQU-YRPNKDGESA-N	1	0	369.465	1.833	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)COC)C(C)C)C2	ZINC001109814054	930516217	/nfs/dbraw/zinc/51/62/17/930516217.db2.gz	JNBHYYUYPIFAEA-CVYDXHPNSA-N	1	0	351.491	1.461	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2	ZINC001109868168	930645346	/nfs/dbraw/zinc/64/53/46/930645346.db2.gz	FAUKXXHJQNDFHF-SQNIBIBYSA-N	1	0	362.518	1.250	20	30		FDEDRO
C[C@@H]1[C@@H](C)[N@H+](C)CCN1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1	ZINC000771466987	930701807	/nfs/dbraw/zinc/70/18/07/930701807.db2.gz	OAAWBTWZXBFIMJ-UMVBOHGHSA-N	1	0	353.426	1.536	20	30		FDEDRO
N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[NH2+][C@@H](CCO)C2CC2)CC1	ZINC000771799089	930895889	/nfs/dbraw/zinc/89/58/89/930895889.db2.gz	JIRHOLWTABTTTB-OALUTQOASA-N	1	0	374.460	1.285	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2cc(C(C)(C)C)nn2C)CC1	ZINC000772115487	931082604	/nfs/dbraw/zinc/08/26/04/931082604.db2.gz	IHOCUPRWXATRBF-UHFFFAOYSA-N	1	0	360.458	1.545	20	30		FDEDRO
Cc1nc(N2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCCC3)C2)ccc1C#N	ZINC001090433455	931108974	/nfs/dbraw/zinc/10/89/74/931108974.db2.gz	KAXRBWRAPXWMRX-QZTJIDSGSA-N	1	0	371.485	1.194	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C(F)(F)F)cnn1C)C2	ZINC001110049956	931234161	/nfs/dbraw/zinc/23/41/61/931234161.db2.gz	GPTYVFLTHHZDBQ-XBFCOCLRSA-N	1	0	372.391	1.977	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(NC(N)=O)cc1)C2	ZINC001110065419	931344949	/nfs/dbraw/zinc/34/49/49/931344949.db2.gz	DKTXWSRTAAEYLX-IKGGRYGDSA-N	1	0	358.442	1.715	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCS(C)(=O)=O)C2	ZINC001112544549	931419991	/nfs/dbraw/zinc/41/99/91/931419991.db2.gz	KBPJUASIRFQPKJ-WMZOPIPTSA-N	1	0	356.532	1.996	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc3n[nH]c(=O)n3c1)C2	ZINC001112545566	931429609	/nfs/dbraw/zinc/42/96/09/931429609.db2.gz	QACAHUZZUAPCPJ-KXBFYZLASA-N	1	0	355.442	1.843	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCO1	ZINC000785539259	931444354	/nfs/dbraw/zinc/44/43/54/931444354.db2.gz	JCVDNWNBUOXQAM-OALUTQOASA-N	1	0	369.465	1.196	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C)nc(C)n1)C2	ZINC001112545192	931454365	/nfs/dbraw/zinc/45/43/65/931454365.db2.gz	ULQXQHGYXUZPRE-PXNSSMCTSA-N	1	0	356.470	1.575	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c[nH]c(C)cc1=O)C2	ZINC001112556663	931541360	/nfs/dbraw/zinc/54/13/60/931541360.db2.gz	HTKVLXCBPVOFSC-JXFKEZNVSA-N	1	0	359.470	1.718	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CC(=O)N(C)C1=O)C2	ZINC001112562914	931596788	/nfs/dbraw/zinc/59/67/88/931596788.db2.gz	VSSJUQKYWIISFS-KXBFYZLASA-N	1	0	362.474	1.065	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1ccccc1C(N)=O)C2	ZINC001112563237	931599895	/nfs/dbraw/zinc/59/98/95/931599895.db2.gz	MQDHLTALBJDPLE-AVRDEDQJSA-N	1	0	367.493	1.960	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N(C)CC)C2)cn1	ZINC001112565989	931617104	/nfs/dbraw/zinc/61/71/04/931617104.db2.gz	DMPGSMDBRKRMEA-UWJYYQICSA-N	1	0	368.481	1.373	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc(C(=O)NC)n1)C2	ZINC001112571815	931656158	/nfs/dbraw/zinc/65/61/58/931656158.db2.gz	OOXVOURDAXECNF-YWZLYKJASA-N	1	0	356.470	1.849	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)Cc1ccccc1)C2	ZINC001112573922	931679775	/nfs/dbraw/zinc/67/97/75/931679775.db2.gz	DSBMVRGXNWNUND-RXVVDRJESA-N	1	0	353.466	1.197	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CCN(C(N)=O)CC1)C2	ZINC001112576143	931708275	/nfs/dbraw/zinc/70/82/75/931708275.db2.gz	XLXPIKLTYHCDNP-YJBOKZPZSA-N	1	0	368.909	1.748	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)[C@H](C)CC)C2	ZINC001112580654	931727334	/nfs/dbraw/zinc/72/73/34/931727334.db2.gz	XYSGNYSQCRMDOA-UWVAXJGDSA-N	1	0	365.518	1.570	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn(C)c(=O)[nH]c1=O)C2	ZINC001112578033	931731402	/nfs/dbraw/zinc/73/14/02/931731402.db2.gz	STTWEEYJKZNLKK-SJCJKPOMSA-N	1	0	366.849	1.070	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccn1CC)C2	ZINC001112579324	931741240	/nfs/dbraw/zinc/74/12/40/931741240.db2.gz	HYONLWQOAHLALN-JXFKEZNVSA-N	1	0	356.470	1.089	20	30		FDEDRO
N#Cc1ccc([C@@H](OC(=O)CC2([NH+]3CCOCC3)CCCC2)C(N)=O)cc1	ZINC000786102548	931750825	/nfs/dbraw/zinc/75/08/25/931750825.db2.gz	XPFUCOIUMJNBLA-GOSISDBHSA-N	1	0	371.437	1.663	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH+]1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000786112389	931756297	/nfs/dbraw/zinc/75/62/97/931756297.db2.gz	HTGPXJRNXWVYOQ-INIZCTEOSA-N	1	0	357.454	1.763	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COc1cccc(C(N)=O)c1)C2	ZINC001112584805	931786589	/nfs/dbraw/zinc/78/65/89/931786589.db2.gz	KZWNLGWSABDQPK-UWJYYQICSA-N	1	0	371.481	1.959	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCCC)C1	ZINC001112588608	931797840	/nfs/dbraw/zinc/79/78/40/931797840.db2.gz	KBONDPWLSZGZNQ-LPHOPBHVSA-N	1	0	351.491	1.324	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(N)=O)C2)cc1	ZINC001112587945	931813191	/nfs/dbraw/zinc/81/31/91/931813191.db2.gz	YVOINCZOFVPAEK-UWJYYQICSA-N	1	0	371.481	1.498	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccnc(-n3cncn3)c1)C2	ZINC001112590768	931841088	/nfs/dbraw/zinc/84/10/88/931841088.db2.gz	PPUVLESLTHAADE-LPHOPBHVSA-N	1	0	352.442	1.680	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCCCS(N)(=O)=O)C2	ZINC001112595156	931892285	/nfs/dbraw/zinc/89/22/85/931892285.db2.gz	BQIDBTOPQDUVTP-WMZOPIPTSA-N	1	0	371.547	1.630	20	30		FDEDRO
C[C@@H]1[C@@H](C(=O)NC2(C#N)CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C	ZINC000786642746	931989914	/nfs/dbraw/zinc/98/99/14/931989914.db2.gz	PLOVRKMHRULVIW-KGLIPLIRSA-N	1	0	350.463	1.736	20	30		FDEDRO
C[N@H+](CCOCC(F)(F)C(F)F)[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000787239737	932240138	/nfs/dbraw/zinc/24/01/38/932240138.db2.gz	PPDZYMHQKCCSAV-QMMMGPOBSA-N	1	0	354.266	1.998	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3cnnn3)c1)C2	ZINC001110083707	932284738	/nfs/dbraw/zinc/28/47/38/932284738.db2.gz	RABNLTFOBCPAKW-NJAFHUGGSA-N	1	0	368.441	1.200	20	30		FDEDRO
N#CCc1cncc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)c1	ZINC001170073878	932294822	/nfs/dbraw/zinc/29/48/22/932294822.db2.gz	OYWDUNWDVDHEAN-UHFFFAOYSA-N	1	0	367.434	1.850	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3cnnn3)c1)C2	ZINC001110083793	932308961	/nfs/dbraw/zinc/30/89/61/932308961.db2.gz	WCIXCVHFAYLEFL-NJAFHUGGSA-N	1	0	352.442	1.964	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1cccc(F)c1C#N	ZINC000746701832	932364072	/nfs/dbraw/zinc/36/40/72/932364072.db2.gz	KAIKCMCXRYWGOZ-KCXAZCMYSA-N	1	0	367.446	1.570	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CCCO1	ZINC000787752824	932388117	/nfs/dbraw/zinc/38/81/17/932388117.db2.gz	VQLCYNGHQVUSDS-OTWHNJEPSA-N	1	0	369.465	1.237	20	30		FDEDRO
N#CCOc1ccccc1C(=O)O[C@@H]1CCCN(c2cc[nH+]c(N)n2)C1	ZINC000788065344	932536439	/nfs/dbraw/zinc/53/64/39/932536439.db2.gz	BLLMJJFZANVDDB-CYBMUJFWSA-N	1	0	353.382	1.787	20	30		FDEDRO
C[NH+](C)[C@H]1CCCC(=NNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000788425606	932691831	/nfs/dbraw/zinc/69/18/31/932691831.db2.gz	SEGCILCRYGBVPF-HNNXBMFYSA-N	1	0	354.432	1.874	20	30		FDEDRO
COC(=O)CC[NH+]1CCC(=NNC(=S)Nc2ccc(OC)cc2)CC1	ZINC000788700101	932787383	/nfs/dbraw/zinc/78/73/83/932787383.db2.gz	OSEQYILJQGNILB-UHFFFAOYSA-N	1	0	364.471	1.997	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NC[C@H](C)[NH+]2CCCCC2)n1	ZINC000788895324	932867595	/nfs/dbraw/zinc/86/75/95/932867595.db2.gz	ZFMRPFBITSMAHU-KRWDZBQOSA-N	1	0	361.490	1.549	20	30		FDEDRO
N#CCCn1cc(C[NH+]2CCC3(CNC(=O)O3)CC2)c(-c2ccncc2)n1	ZINC000789747796	933178020	/nfs/dbraw/zinc/17/80/20/933178020.db2.gz	LLAJZGABZQQYQD-UHFFFAOYSA-N	1	0	366.425	1.933	20	30		FDEDRO
Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@@H](N2CCCC2=O)C1	ZINC000790460404	933545103	/nfs/dbraw/zinc/54/51/03/933545103.db2.gz	PILDTPDUYKCUOM-QGZVFWFLSA-N	1	0	350.426	1.779	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnccc2C)C1	ZINC001111677291	933894795	/nfs/dbraw/zinc/89/47/95/933894795.db2.gz	ZOXGTRYRLVZWDT-GUXCAODWSA-N	1	0	356.470	1.665	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnccc2C)C1	ZINC001111677290	933895051	/nfs/dbraw/zinc/89/50/51/933895051.db2.gz	ZOXGTRYRLVZWDT-FTRWYGJKSA-N	1	0	356.470	1.665	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@H]2Cc3cc(Br)ccc3O2)CC1	ZINC000791672870	934099550	/nfs/dbraw/zinc/09/95/50/934099550.db2.gz	SDWUFYPCDLUNOT-CQSZACIVSA-N	1	0	364.243	1.857	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1	ZINC000793813078	934289636	/nfs/dbraw/zinc/28/96/36/934289636.db2.gz	NYHMSLHLEABGSG-IAQYHMDHSA-N	1	0	360.296	1.638	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1C#N	ZINC000793901664	938334480	/nfs/dbraw/zinc/33/44/80/938334480.db2.gz	OEPNLSQZCWOKKI-HUUCEWRRSA-N	1	0	372.469	1.420	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCCN2C(N)=O)C1	ZINC001086619246	938353855	/nfs/dbraw/zinc/35/38/55/938353855.db2.gz	GVGWJSMKQNRRBN-IPMKNSEASA-N	1	0	368.481	1.527	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cccc(N3C(=O)N[C@H](CC)C3=O)c2)CC1	ZINC000794261392	938384965	/nfs/dbraw/zinc/38/49/65/938384965.db2.gz	YLKGQJBFRTZSNK-QGZVFWFLSA-N	1	0	368.437	1.805	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)C1	ZINC001086622428	938400789	/nfs/dbraw/zinc/40/07/89/938400789.db2.gz	WTSXQDOBUXNFSP-ZCNNSNEGSA-N	1	0	371.481	1.394	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)C[C@H](CC)C(C)C)[C@@H](n2ccnn2)C1	ZINC001129397282	938402680	/nfs/dbraw/zinc/40/26/80/938402680.db2.gz	SIMBEJAZWHMUIJ-KSZLIROESA-N	1	0	363.506	1.895	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)[nH]c2)[C@@H](n2ccnn2)C1	ZINC001129412497	938407950	/nfs/dbraw/zinc/40/79/50/938407950.db2.gz	UBZSVXSOKBCQKW-SJORKVTESA-N	1	0	370.457	1.780	20	30		FDEDRO
C#CCN1C[C@@H](NC(=O)[C@@H](C)Oc2cccc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129417178	938408910	/nfs/dbraw/zinc/40/89/10/938408910.db2.gz	ADIUOPLWQBIELA-NXHRZFHOSA-N	1	0	353.426	1.029	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2sc(C)nc2C)[C@@H](n2ccnn2)C1	ZINC001129422797	938412430	/nfs/dbraw/zinc/41/24/30/938412430.db2.gz	XJPJOPVSTIJLPD-CABCVRRESA-N	1	0	360.487	1.973	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129445306	938418284	/nfs/dbraw/zinc/41/82/84/938418284.db2.gz	HPLDDHARMYLVJL-QRQLOZEOSA-N	1	0	351.454	1.522	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2cc(C)cn2)[C@@H](n2ccnn2)C1	ZINC001129453583	938420695	/nfs/dbraw/zinc/42/06/95/938420695.db2.gz	CZNDFRXXALVQOV-KURKYZTESA-N	1	0	371.489	1.570	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCn2cc(C)cn2)[C@@H](n2ccnn2)C1	ZINC001129453915	938421372	/nfs/dbraw/zinc/42/13/72/938421372.db2.gz	OZYZAOUSBSBMRW-SJORKVTESA-N	1	0	357.462	1.181	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](NC(=O)CCOc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129433865	938423962	/nfs/dbraw/zinc/42/39/62/938423962.db2.gz	WVEQKJNHFGYDKZ-MSOLQXFVSA-N	1	0	355.442	1.665	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCCC2CCC2)C[C@@H]1n1ccnn1	ZINC001129480760	938433915	/nfs/dbraw/zinc/43/39/15/938433915.db2.gz	CKTODLLQZXPQON-JQHSSLGASA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001129481896	938434213	/nfs/dbraw/zinc/43/42/13/938434213.db2.gz	QOIYINCJQMFIKC-UHOSZYNNSA-N	1	0	369.469	1.719	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](n2ccnn2)C1	ZINC001129485122	938440447	/nfs/dbraw/zinc/44/04/47/938440447.db2.gz	WKMBDYAUMKXTAF-CVEARBPZSA-N	1	0	362.478	1.022	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+]([C@H](C)COC)C[C@@H]2n2ccnn2)CCCC1	ZINC001129490955	938442833	/nfs/dbraw/zinc/44/28/33/938442833.db2.gz	XAGAWHYBRUHPNN-ZACQAIPSSA-N	1	0	361.490	1.791	20	30		FDEDRO
C#CCNc1nc(NC[C@@](C)(O)C(C)C)[nH+]c(NC[C@@](C)(O)C(C)C)n1	ZINC000804449616	938444420	/nfs/dbraw/zinc/44/44/20/938444420.db2.gz	ZSJXGDKILBRIOL-QZTJIDSGSA-N	1	0	364.494	1.555	20	30		FDEDRO
CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@@H](n2ccnn2)C1	ZINC001129618233	938470509	/nfs/dbraw/zinc/47/05/09/938470509.db2.gz	PQOMLBOHIBBYHX-QGTPRVQTSA-N	1	0	368.441	1.116	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]Cc2cccc(OC)c2)[C@@H](n2ccnn2)C1	ZINC001129666828	938478413	/nfs/dbraw/zinc/47/84/13/938478413.db2.gz	KFSGJLMZBVIMHA-MSOLQXFVSA-N	1	0	355.442	1.795	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C)c(C)c2)[C@@H](n2ccnn2)C1	ZINC001129681288	938484023	/nfs/dbraw/zinc/48/40/23/938484023.db2.gz	NFIKVHCDKSXFIH-MOPGFXCFSA-N	1	0	369.469	1.639	20	30		FDEDRO
C/C=C(/C)C(=O)N1C[C@@H]([NH2+]CC#Cc2ccc(F)cc2)[C@@H](n2ccnn2)C1	ZINC001129728699	938495641	/nfs/dbraw/zinc/49/56/41/938495641.db2.gz	VTUNRDQKZHBFII-IUBOQSRQSA-N	1	0	367.428	1.777	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCOC2)[C@@H](n2ccnn2)C1	ZINC001129756942	938501921	/nfs/dbraw/zinc/50/19/21/938501921.db2.gz	OCEIWMNPYXWYEQ-KURKYZTESA-N	1	0	359.474	1.240	20	30		FDEDRO
CC1(C)C[C@H]1C(=O)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129756962	938502040	/nfs/dbraw/zinc/50/20/40/938502040.db2.gz	OUDMTBDHHXFPHC-OTWHNJEPSA-N	1	0	363.465	1.717	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H]([NH2+]CCCCCF)[C@@H](n2ccnn2)C1	ZINC001129796030	938509236	/nfs/dbraw/zinc/50/92/36/938509236.db2.gz	YJNHOGLSTFFOPQ-VYDXJSESSA-N	1	0	353.442	1.087	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129816703	938520997	/nfs/dbraw/zinc/52/09/97/938520997.db2.gz	IHPWJPULNMAGCS-UXHICEINSA-N	1	0	359.433	1.085	20	30		FDEDRO
Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1n1ccnn1	ZINC001129825354	938523240	/nfs/dbraw/zinc/52/32/40/938523240.db2.gz	UGKADXVSLBIBFA-MSOLQXFVSA-N	1	0	352.442	1.183	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCO[C@H](C)CC(C)C)C[C@@H]1n1ccnn1	ZINC001129845759	938525645	/nfs/dbraw/zinc/52/56/45/938525645.db2.gz	UJCHBEPQRJHLOZ-KURKYZTESA-N	1	0	361.490	1.484	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC/C=C\CC)[C@@H](n2ccnn2)C1	ZINC001129855288	938528295	/nfs/dbraw/zinc/52/82/95/938528295.db2.gz	IJDASJZXWDRKPW-HRULKVOTSA-N	1	0	373.501	1.957	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[C@H]1CCCO1	ZINC000804695996	938529567	/nfs/dbraw/zinc/52/95/67/938529567.db2.gz	AOTRZDRZJWQGLF-RYQLBKOJSA-N	1	0	371.481	1.529	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)NC(=O)C3)C[C@@H]1n1ccnn1	ZINC001129864316	938531896	/nfs/dbraw/zinc/53/18/96/938531896.db2.gz	VVFYPYXKYJZECH-SJORKVTESA-N	1	0	366.425	1.004	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(F)cccc2OC)C[C@@H]1n1ccnn1	ZINC001129863859	938531951	/nfs/dbraw/zinc/53/19/51/938531951.db2.gz	KZHJRDKLERPRNB-CABCVRRESA-N	1	0	357.389	1.104	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H]([NH2+]C[C@H](C)CC(C)C)[C@@H](n2ccnn2)C1	ZINC001129838064	938535288	/nfs/dbraw/zinc/53/52/88/938535288.db2.gz	QDLKVBLMUFWRTD-KURKYZTESA-N	1	0	361.490	1.342	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H]([NH2+]CCOCC2CCC2)[C@@H](n2ccnn2)C1	ZINC001129879024	938536318	/nfs/dbraw/zinc/53/63/18/938536318.db2.gz	OEEZGOJRDMOVSJ-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]([NH2+]CCCCOC)[C@@H](n2ccnn2)C1	ZINC001129867178	938543941	/nfs/dbraw/zinc/54/39/41/938543941.db2.gz	OHUBRYPEERAFTE-CABCVRRESA-N	1	0	369.897	1.825	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCCO2)[C@@H](n2ccnn2)C1	ZINC001129876653	938547000	/nfs/dbraw/zinc/54/70/00/938547000.db2.gz	UZKRQBLQOAGQFH-BBWFWOEESA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCCC3)C[C@@H]1n1ccnn1	ZINC001129904208	938547673	/nfs/dbraw/zinc/54/76/73/938547673.db2.gz	BQKFAQWWPCKFNL-MSOLQXFVSA-N	1	0	369.473	1.432	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)noc2C(F)F)C[C@@H]1n1ccnn1	ZINC001129905302	938548238	/nfs/dbraw/zinc/54/82/38/938548238.db2.gz	SYOZAPKHVHSKFH-NEPJUHHUSA-N	1	0	364.356	1.191	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(C)c(Cl)c2)C[C@@H]1n1ccnn1	ZINC001129907079	938549014	/nfs/dbraw/zinc/54/90/14/938549014.db2.gz	PPVZWJOZOGJEEA-MSOLQXFVSA-N	1	0	371.872	1.847	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccsc2COC)C[C@@H]1n1ccnn1	ZINC001129910096	938549713	/nfs/dbraw/zinc/54/97/13/938549713.db2.gz	CVPJBGBEDLZYOH-CABCVRRESA-N	1	0	359.455	1.165	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(C)cc2Cl)C[C@@H]1n1ccnn1	ZINC001129912617	938551591	/nfs/dbraw/zinc/55/15/91/938551591.db2.gz	RPBXTDNDGSGZQS-MSOLQXFVSA-N	1	0	371.872	1.847	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3nccn3C2)C[C@@H]1n1ccnn1	ZINC001129917065	938553915	/nfs/dbraw/zinc/55/39/15/938553915.db2.gz	KECZODZKPREDFW-BBWFWOEESA-N	1	0	369.473	1.045	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)n([C@H](C)CC)n2)C[C@@H]1n1ccnn1	ZINC001129917626	938554470	/nfs/dbraw/zinc/55/44/70/938554470.db2.gz	YUCBPKWLGVZDDK-OLMNPRSZSA-N	1	0	371.489	1.985	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H]([NH2+]CCCC)[C@@H](n3ccnn3)C2)CCOCC1	ZINC001129894758	938555967	/nfs/dbraw/zinc/55/59/67/938555967.db2.gz	RHVDNFKGFFXYQN-SJORKVTESA-N	1	0	359.474	1.240	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1	ZINC001129897768	938558208	/nfs/dbraw/zinc/55/82/08/938558208.db2.gz	QCEHLVMZEGTJSZ-FRRDWIJNSA-N	1	0	365.396	1.273	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnc3n2CCC3)C[C@@H]1n1ccnn1	ZINC001129898560	938559016	/nfs/dbraw/zinc/55/90/16/938559016.db2.gz	XBUIWQZWJHDYNI-INMHGKMJSA-N	1	0	369.473	1.431	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(C)noc2C(C)C)C[C@@H]1n1ccnn1	ZINC001129899685	938559537	/nfs/dbraw/zinc/55/95/37/938559537.db2.gz	GNMIFZXNPJJHQT-CABCVRRESA-N	1	0	358.446	1.929	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnc(CC3CC3)s2)C[C@@H]1n1ccnn1	ZINC001129943033	938563757	/nfs/dbraw/zinc/56/37/57/938563757.db2.gz	LBIINQITIBZJRZ-CABCVRRESA-N	1	0	370.482	1.366	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCc2ccc(Cl)cc2)C[C@@H]1n1ccnn1	ZINC001129921060	938568281	/nfs/dbraw/zinc/56/82/81/938568281.db2.gz	MZTDJMZIRYUNHM-MSOLQXFVSA-N	1	0	371.872	1.929	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(C)nnc2CC)C[C@@H]1n1ccnn1	ZINC001129921286	938568648	/nfs/dbraw/zinc/56/86/48/938568648.db2.gz	ZPZSCXJYBLZRRU-MSOLQXFVSA-N	1	0	369.473	1.560	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2CC)C[C@@H]1n1ccnn1	ZINC001129923394	938568860	/nfs/dbraw/zinc/56/88/60/938568860.db2.gz	ABDQXXNVTBKUNG-WBVHZDCISA-N	1	0	357.462	1.196	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)nc2)C[C@@H]1n1ccnn1	ZINC001129927490	938571737	/nfs/dbraw/zinc/57/17/37/938571737.db2.gz	ZLASUSFJEVFBDK-CVEARBPZSA-N	1	0	356.430	1.303	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2cncc(C)c2)C[C@@H]1n1ccnn1	ZINC001129928742	938572209	/nfs/dbraw/zinc/57/22/09/938572209.db2.gz	JDWUFJWWJVSTCK-MOPGFXCFSA-N	1	0	368.485	1.922	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2snnc2CC)C[C@@H]1n1ccnn1	ZINC001129928947	938572501	/nfs/dbraw/zinc/57/25/01/938572501.db2.gz	WBVAGIUSFAGTEO-KGLIPLIRSA-N	1	0	361.475	1.314	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC(C)(C)CO2)C[C@@H]1n1ccnn1	ZINC001129930602	938573040	/nfs/dbraw/zinc/57/30/40/938573040.db2.gz	MKWQEPVCNKFGHI-BBWFWOEESA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCn2nc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001129948817	938573621	/nfs/dbraw/zinc/57/36/21/938573621.db2.gz	ADWWOJQFVGRPFW-SJORKVTESA-N	1	0	357.462	1.099	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc3cn[nH]c32)C[C@@H]1n1ccnn1	ZINC001129952443	938575634	/nfs/dbraw/zinc/57/56/34/938575634.db2.gz	UPQUBDCFBFWSEG-CVEARBPZSA-N	1	0	351.414	1.386	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(OC)ccn2)C[C@@H]1n1ccnn1	ZINC001129954439	938576226	/nfs/dbraw/zinc/57/62/26/938576226.db2.gz	NDCZASMUIMBOAD-QGTPRVQTSA-N	1	0	370.457	1.692	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n3ccnn3)C2)cc1	ZINC001129954654	938576594	/nfs/dbraw/zinc/57/65/94/938576594.db2.gz	YKIIXSLRCCWMAA-VJGCYYMXSA-N	1	0	355.829	1.667	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]([NH2+]CCO[C@@H]2CC2(F)F)[C@@H](n2ccnn2)C1	ZINC001129959375	938577993	/nfs/dbraw/zinc/57/79/93/938577993.db2.gz	SWYYSAFLJHGFIB-HZSPNIEDSA-N	1	0	369.416	1.256	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2ccc(C)n2)C[C@@H]1n1ccnn1	ZINC001129963729	938579125	/nfs/dbraw/zinc/57/91/25/938579125.db2.gz	BVFSARDSUOTVTN-BBWFWOEESA-N	1	0	357.462	1.352	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(C)ccnc2OCC)C[C@@H]1n1ccnn1	ZINC001129943233	938580079	/nfs/dbraw/zinc/58/00/79/938580079.db2.gz	SXBNWUWCOFQJGD-CVEARBPZSA-N	1	0	370.457	1.612	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)on2)C[C@@H]1n1ccnn1	ZINC001129948096	938582563	/nfs/dbraw/zinc/58/25/63/938582563.db2.gz	ZFPXBYHNKUHGKY-CVEARBPZSA-N	1	0	356.430	1.765	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CN(C(=O)CCCF)C[C@@H]2n2ccnn2)s1	ZINC001129969045	938586554	/nfs/dbraw/zinc/58/65/54/938586554.db2.gz	AVVJCFFDDHKPDI-CABCVRRESA-N	1	0	362.434	1.503	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2occc2C(C)C)C[C@@H]1n1ccnn1	ZINC001129976619	938600981	/nfs/dbraw/zinc/60/09/81/938600981.db2.gz	SOAPSHYRGLWKHS-SJORKVTESA-N	1	0	371.441	1.300	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]([NH2+]C[C@H](CC)OC)[C@@H](n3ccnn3)C2)CCC1	ZINC001129994363	938603311	/nfs/dbraw/zinc/60/33/11/938603311.db2.gz	JYHMATLDXUBDPI-BBWFWOEESA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(C)(C)C2)C[C@@H]1n1ccnn1	ZINC001129997257	938605195	/nfs/dbraw/zinc/60/51/95/938605195.db2.gz	GFRQVGPREBKIHE-ZACQAIPSSA-N	1	0	361.490	1.649	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]([NH2+][C@@H](CCCC)C(N)=O)[C@@H](n2ccnn2)C1	ZINC001129986484	938609700	/nfs/dbraw/zinc/60/97/00/938609700.db2.gz	BWMRJIBCWKAHNM-XHSDSOJGSA-N	1	0	362.478	1.020	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(Cl)c(C)c2)C[C@@H]1n1ccnn1	ZINC001129991952	938613501	/nfs/dbraw/zinc/61/35/01/938613501.db2.gz	DVPDEWYTZBZEFK-SJORKVTESA-N	1	0	357.845	1.919	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CC(F)(F)C(F)F)C[C@@H]1n1ccnn1	ZINC001130011857	938614546	/nfs/dbraw/zinc/61/45/46/938614546.db2.gz	AJWZETXPYFDPOY-NEPJUHHUSA-N	1	0	363.359	1.876	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccco2)C[C@@H]1n1ccnn1	ZINC001130017645	938617986	/nfs/dbraw/zinc/61/79/86/938617986.db2.gz	ROEBIGASDFOWNP-VQHPVUNQSA-N	1	0	355.442	1.983	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2cccnc2)C[C@@H]1n1ccnn1	ZINC001130028242	938630511	/nfs/dbraw/zinc/63/05/11/938630511.db2.gz	MIFLFIACAVFPGJ-JQHSSLGASA-N	1	0	352.442	1.232	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)C[C@@H]1n1ccnn1	ZINC001130033672	938634247	/nfs/dbraw/zinc/63/42/47/938634247.db2.gz	AVXYDIXHKCKYOM-PXTPFGJHSA-N	1	0	361.449	1.229	20	30		FDEDRO
C#CCCCS(=O)(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000804983523	938635838	/nfs/dbraw/zinc/63/58/38/938635838.db2.gz	ORRUSUGDODALCA-HNNXBMFYSA-N	1	0	367.490	1.971	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)c(C)c2)C[C@@H]1n1ccnn1	ZINC001130044121	938643257	/nfs/dbraw/zinc/64/32/57/938643257.db2.gz	RAFBWTBOPRNLIW-SJORKVTESA-N	1	0	353.426	1.274	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnn3ccccc23)C[C@@H]1n1ccnn1	ZINC001130045795	938645263	/nfs/dbraw/zinc/64/52/63/938645263.db2.gz	AUBYFHVMEVVXST-AEFFLSMTSA-N	1	0	365.441	1.547	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCCOC2)C[C@@H]1n1ccnn1	ZINC001130062530	938650624	/nfs/dbraw/zinc/65/06/24/938650624.db2.gz	JUQGLAFELACNFX-KSZLIROESA-N	1	0	361.490	1.793	20	30		FDEDRO
C#C[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)c1ccc(Cl)cc1F	ZINC000805102615	938661787	/nfs/dbraw/zinc/66/17/87/938661787.db2.gz	PCSSFCQCEOIYMT-CJNGLKHVSA-N	1	0	352.841	1.698	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@](C)(OC)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130088935	938675620	/nfs/dbraw/zinc/67/56/20/938675620.db2.gz	PVEANMHCMIFDST-HBFSDRIKSA-N	1	0	367.453	1.205	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001130091462	938676630	/nfs/dbraw/zinc/67/66/30/938676630.db2.gz	VESWSWZMCBDODL-MSOLQXFVSA-N	1	0	369.444	1.760	20	30		FDEDRO
CCCCCCCCC(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n2ccnn2)C1	ZINC001130099364	938681957	/nfs/dbraw/zinc/68/19/57/938681957.db2.gz	CRDVHHZDTDXMHA-OAGGEKHMSA-N	1	0	364.494	1.244	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccccc2OC)C[C@@H]1n1ccnn1	ZINC001130099514	938682126	/nfs/dbraw/zinc/68/21/26/938682126.db2.gz	GKNMYSGNZMHPJB-SJORKVTESA-N	1	0	371.441	1.145	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cc(C)cc(C)c2)C[C@@H]1n1ccnn1	ZINC001130102194	938684111	/nfs/dbraw/zinc/68/41/11/938684111.db2.gz	MKHBPQDGQJUEDU-MOPGFXCFSA-N	1	0	369.469	1.753	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)COc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130102429	938684736	/nfs/dbraw/zinc/68/47/36/938684736.db2.gz	YKACRLIHGBTIFC-MSOLQXFVSA-N	1	0	355.442	1.665	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2sccc2C(F)F)C[C@@H]1n1ccnn1	ZINC001130105059	938685648	/nfs/dbraw/zinc/68/56/48/938685648.db2.gz	ITCOXGHPNFJXAF-OLZOCXBDSA-N	1	0	365.409	1.956	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2[nH]cnc2CC)C[C@@H]1n1ccnn1	ZINC001130110105	938689016	/nfs/dbraw/zinc/68/90/16/938689016.db2.gz	VGYCHAHSUIEKAU-IMJJTQAJSA-N	1	0	357.462	1.574	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COc2ccccc2CC)C[C@@H]1n1ccnn1	ZINC001130112638	938692295	/nfs/dbraw/zinc/69/22/95/938692295.db2.gz	KHBUKOXALAVHTQ-MSOLQXFVSA-N	1	0	367.453	1.284	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(OCC)cc2)C[C@@H]1n1ccnn1	ZINC001130115197	938694908	/nfs/dbraw/zinc/69/49/08/938694908.db2.gz	ZFJRYGHRPQNOGZ-MOPGFXCFSA-N	1	0	367.453	1.284	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCOc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130125366	938696178	/nfs/dbraw/zinc/69/61/78/938696178.db2.gz	KBUQRMZNMWDKFV-MSOLQXFVSA-N	1	0	355.442	1.665	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCOc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130125556	938696583	/nfs/dbraw/zinc/69/65/83/938696583.db2.gz	TWXUNARNHINBHE-MSOLQXFVSA-N	1	0	353.426	1.112	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ncc3n2CCCC3)C[C@@H]1n1ccnn1	ZINC001130127644	938697587	/nfs/dbraw/zinc/69/75/87/938697587.db2.gz	BBVQLRPUEOXTGH-SJORKVTESA-N	1	0	369.473	1.432	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(COC)cc2)C[C@@H]1n1ccnn1	ZINC001130118948	938701979	/nfs/dbraw/zinc/70/19/79/938701979.db2.gz	QVOGZHUHTKTUKO-MSOLQXFVSA-N	1	0	353.426	1.103	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cncc3ccccc32)C[C@@H]1n1ccnn1	ZINC001130134001	938708600	/nfs/dbraw/zinc/70/86/00/938708600.db2.gz	NEHUPUFWFYBGGU-MOPGFXCFSA-N	1	0	360.421	1.505	20	30		FDEDRO
C=C[C@H](CC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1)c1ccccc1	ZINC001130134166	938708850	/nfs/dbraw/zinc/70/88/50/938708850.db2.gz	VVSJSLZWVHJNES-QRQLOZEOSA-N	1	0	369.469	1.362	20	30		FDEDRO
C=C[C@@H](C(=O)N1C[C@@H]([NH2+]CCOC)[C@@H](n2ccnn2)C1)c1ccccc1	ZINC001130143262	938714406	/nfs/dbraw/zinc/71/44/06/938714406.db2.gz	QNSNMVIXCCNWIL-KURKYZTESA-N	1	0	355.442	1.236	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]c3ncccc23)C[C@@H]1n1ccnn1	ZINC001130143235	938714526	/nfs/dbraw/zinc/71/45/26/938714526.db2.gz	PNMXFVQGWGWHHC-SJORKVTESA-N	1	0	365.441	1.315	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CC2CC(F)(F)C2)[C@@H](n2ccnn2)C1	ZINC001130150850	938715417	/nfs/dbraw/zinc/71/54/17/938715417.db2.gz	CSOHBIVLSWZRAG-CFVMTHIKSA-N	1	0	369.416	1.256	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2COc3ccccc32)C[C@@H]1n1ccnn1	ZINC001130151616	938716341	/nfs/dbraw/zinc/71/63/41/938716341.db2.gz	ZVDNXGAIJAOKJU-KSZLIROESA-N	1	0	367.453	1.762	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](OC(C)C)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130160970	938721423	/nfs/dbraw/zinc/72/14/23/938721423.db2.gz	KFOLIRVMBQMUIY-CEXWTWQISA-N	1	0	369.469	1.972	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH]c(=O)oc32)C[C@@H]1n1ccnn1	ZINC001130161013	938721463	/nfs/dbraw/zinc/72/14/63/938721463.db2.gz	MFMMBJTZGBUEAA-CABCVRRESA-N	1	0	368.397	1.356	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccccc2C)[nH]1	ZINC001130177523	938725094	/nfs/dbraw/zinc/72/50/94/938725094.db2.gz	FMLYZVODLWVWNI-IRXDYDNUSA-N	1	0	367.453	1.529	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H]2C=CCC2)[nH]1	ZINC001130187960	938734382	/nfs/dbraw/zinc/73/43/82/938734382.db2.gz	SDXIFHUIFSAOBV-JYJNAYRXSA-N	1	0	359.474	1.815	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCOCC(C)C)[nH]1	ZINC001130188068	938734397	/nfs/dbraw/zinc/73/43/97/938734397.db2.gz	XDQWQMMOYKJBQY-GJZGRUSLSA-N	1	0	365.478	1.132	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC=C)[nH]1	ZINC001130190480	938735203	/nfs/dbraw/zinc/73/52/03/938735203.db2.gz	AHNNAOIFRSBBKZ-KKUMJFAQSA-N	1	0	363.462	1.050	20	30		FDEDRO
C=CCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C/C=C\Cl)[nH]1	ZINC001130193113	938737827	/nfs/dbraw/zinc/73/78/27/938737827.db2.gz	JBPFNJVJWDAOAN-KNUBNCPHSA-N	1	0	353.854	1.602	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](CC)OC)[nH]1	ZINC001130193187	938737877	/nfs/dbraw/zinc/73/78/77/938737877.db2.gz	LVFTXZQCVHWQNH-ZNMIVQPWSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=CCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC[C@H](C)F)[nH]1	ZINC001130193286	938738296	/nfs/dbraw/zinc/73/82/96/938738296.db2.gz	QHOISWYUAOPQCZ-IHRRRGAJSA-N	1	0	353.442	1.597	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCOCC=C)[nH]1	ZINC001130195989	938739117	/nfs/dbraw/zinc/73/91/17/938739117.db2.gz	MSKPOVJRTDYOQU-GJZGRUSLSA-N	1	0	363.462	1.052	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)[nH]1	ZINC001130196186	938739500	/nfs/dbraw/zinc/73/95/00/938739500.db2.gz	VVZUBFFKHHAPPE-CEEVZKBLSA-N	1	0	359.474	1.505	20	30		FDEDRO
C#CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C[C@@H](F)CC)[nH]1	ZINC001130209605	938747659	/nfs/dbraw/zinc/74/76/59/938747659.db2.gz	HFYQTMLZNXTKRB-KKUMJFAQSA-N	1	0	365.453	1.435	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccncc2C)[nH]1	ZINC001130212806	938749491	/nfs/dbraw/zinc/74/94/91/938749491.db2.gz	DTZFHGRKBONFLS-HOTGVXAUSA-N	1	0	370.457	1.476	20	30		FDEDRO
CC(C)(C)C#CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)[nH]1	ZINC001130213022	938749926	/nfs/dbraw/zinc/74/99/26/938749926.db2.gz	PPVVIZKFMRDRNL-GJZGRUSLSA-N	1	0	359.474	1.343	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(C)CC2)n1	ZINC001130216401	938752911	/nfs/dbraw/zinc/75/29/11/938752911.db2.gz	WQNRLPPVTJVAKQ-RYUDHWBXSA-N	1	0	353.854	1.436	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2ccc(C)o2)n1	ZINC001130202740	938755225	/nfs/dbraw/zinc/75/52/25/938755225.db2.gz	IKPFJSCCEMKOFV-HOTGVXAUSA-N	1	0	371.441	1.050	20	30		FDEDRO
C=CCOCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C[C@H](C)CC)[nH]1	ZINC001130203030	938755432	/nfs/dbraw/zinc/75/54/32/938755432.db2.gz	QCNVLEVRIKNWKB-ILXRZTDVSA-N	1	0	365.478	1.132	20	30		FDEDRO
C=CCC1(C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CC#CC)n[nH]2)CCC1	ZINC001130240328	938755857	/nfs/dbraw/zinc/75/58/57/938755857.db2.gz	NWUKAAJESBTQFM-HOTGVXAUSA-N	1	0	371.485	1.653	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H]2C=CCCC2)[nH]1	ZINC001130220868	938756458	/nfs/dbraw/zinc/75/64/58/938756458.db2.gz	PCOFPLRBNMICGJ-PMPSAXMXSA-N	1	0	359.474	1.815	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(CCF)CC2)[nH]1	ZINC001130224885	938759021	/nfs/dbraw/zinc/75/90/21/938759021.db2.gz	HRRJGHAPDSLNBF-KBPBESRZSA-N	1	0	365.453	1.599	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H]2CC=CCC2)n1	ZINC001130229980	938763713	/nfs/dbraw/zinc/76/37/13/938763713.db2.gz	LIOSCRJSBBEFLP-PMPSAXMXSA-N	1	0	357.458	1.263	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](OC)C(C)C)[nH]1	ZINC001130234736	938766261	/nfs/dbraw/zinc/76/62/61/938766261.db2.gz	JGBKQORHRFZJDR-DZKIICNBSA-N	1	0	365.478	1.130	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC23CCC3)[nH]1	ZINC001130240577	938768448	/nfs/dbraw/zinc/76/84/48/938768448.db2.gz	VJHURYOFXLXLOF-ZNMIVQPWSA-N	1	0	359.474	1.649	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](CC)CCC)[nH]1	ZINC001130244251	938770318	/nfs/dbraw/zinc/77/03/18/938770318.db2.gz	FPGOSARRLLTZGT-PMPSAXMXSA-N	1	0	361.490	1.733	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC23CCCC3)[nH]1	ZINC001130244907	938770868	/nfs/dbraw/zinc/77/08/68/938770868.db2.gz	QJOILGVPLFNLCZ-XHSDSOJGSA-N	1	0	371.485	1.487	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)c2ccccc2)n1	ZINC001130246015	938771525	/nfs/dbraw/zinc/77/15/25/938771525.db2.gz	BALSVFRQEJEIJG-PVAVHDDUSA-N	1	0	367.453	1.320	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2csc(C)c2)n1	ZINC001130246737	938772084	/nfs/dbraw/zinc/77/20/84/938772084.db2.gz	OHNVKSIZTWZKSS-KBPBESRZSA-N	1	0	359.455	1.200	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@@H](C)SC)CC1	ZINC001130280928	938779191	/nfs/dbraw/zinc/77/91/91/938779191.db2.gz	CMKIDMSZYBCKFJ-SIIHOXLZSA-N	1	0	353.532	1.789	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CSCCC)CC1	ZINC001130274302	938786529	/nfs/dbraw/zinc/78/65/29/938786529.db2.gz	GINWPKUXUFPACK-APWZRJJASA-N	1	0	365.543	1.628	20	30		FDEDRO
N#CCSCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC2CC2)CC1	ZINC001130274253	938786557	/nfs/dbraw/zinc/78/65/57/938786557.db2.gz	DKJDTPAACAWDRV-QAPCUYQASA-N	1	0	364.515	1.129	20	30		FDEDRO
C=C(C)CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COC(C)C)CC1	ZINC001130276833	938788068	/nfs/dbraw/zinc/78/80/68/938788068.db2.gz	RDYUOUIJJLGMGI-XLIONFOSSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)COC)CC1	ZINC001130278885	938789035	/nfs/dbraw/zinc/78/90/35/938789035.db2.gz	ISRSUPXWTXPDKK-SUMDDJOVSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](O)C(C)C)CC1	ZINC001130285322	938790190	/nfs/dbraw/zinc/79/01/90/938790190.db2.gz	DZHDIORBABSWFG-BPQIPLTHSA-N	1	0	351.491	1.055	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[C@H](C)OC)CC1	ZINC001130285532	938790459	/nfs/dbraw/zinc/79/04/59/938790459.db2.gz	ISTFLZOFOBHHNJ-GMBSWORKSA-N	1	0	351.491	1.463	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)/C=C/c2ccc[nH]2)CC1	ZINC001130286172	938791244	/nfs/dbraw/zinc/79/12/44/938791244.db2.gz	ZVXDCSZSEQEBMC-GLCUETTDSA-N	1	0	368.481	1.527	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C#CC(C)(C)C)CC1	ZINC001130290589	938795125	/nfs/dbraw/zinc/79/51/25/938795125.db2.gz	GLPHSYGXXKTLAN-XLIONFOSSA-N	1	0	357.498	1.535	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](CC(C)C)OC)CC1	ZINC001130302132	938800500	/nfs/dbraw/zinc/80/05/00/938800500.db2.gz	PLVWQNQKGNTVAT-LMMKCTJWSA-N	1	0	363.502	1.156	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)C(C)(F)F)CC1	ZINC001130302054	938800673	/nfs/dbraw/zinc/80/06/73/938800673.db2.gz	NWWZIPZXDOALCT-BJJXKVORSA-N	1	0	357.445	1.939	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccncc1	ZINC000805815152	938831696	/nfs/dbraw/zinc/83/16/96/938831696.db2.gz	KRUWSAWDFUSFIU-MSOLQXFVSA-N	1	0	356.470	1.948	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@]23C[C@H]2COC3)C1	ZINC001130389359	938833245	/nfs/dbraw/zinc/83/32/45/938833245.db2.gz	PDPFJSMAKFGMKO-ALKREAHSSA-N	1	0	360.458	1.054	20	30		FDEDRO
CCOCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001130485942	938878700	/nfs/dbraw/zinc/87/87/00/938878700.db2.gz	SXARMFNQOGWWIH-PKOBYXMFSA-N	1	0	367.453	1.412	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ncoc2C)C[C@H]1c1cn(C)cn1	ZINC001130524509	938890902	/nfs/dbraw/zinc/89/09/02/938890902.db2.gz	LIYYRFBWLJEPRD-GOEBONIOSA-N	1	0	359.430	1.117	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CNC(=O)OC)C[C@H]1c1cn(C)cn1	ZINC001130513309	938892755	/nfs/dbraw/zinc/89/27/55/938892755.db2.gz	USRQHZPIDRUEDX-IJEWVQPXSA-N	1	0	363.462	1.015	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCOC)C1	ZINC001130527466	938894077	/nfs/dbraw/zinc/89/40/77/938894077.db2.gz	BBHGQFNBKCQXHF-XYJFISCASA-N	1	0	364.490	1.322	20	30		FDEDRO
CCSCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#CCOC)C1	ZINC001130516567	938894092	/nfs/dbraw/zinc/89/40/92/938894092.db2.gz	JZJIUSBZKRKJSP-DOTOQJQBSA-N	1	0	364.515	1.097	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOCC=C)C1	ZINC001130574009	939874484	/nfs/dbraw/zinc/87/44/84/939874484.db2.gz	KDRROZCEFVBLMM-PKOBYXMFSA-N	1	0	358.486	1.700	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cccnc2)C1	ZINC001130583500	939883419	/nfs/dbraw/zinc/88/34/19/939883419.db2.gz	CFOWEXJXOWSCCG-PKOBYXMFSA-N	1	0	351.454	1.559	20	30		FDEDRO
Cc1cc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2c2cn(C)cn2)on1	ZINC001130583668	939883825	/nfs/dbraw/zinc/88/38/25/939883825.db2.gz	LLLIRYANQQSNTF-FUHWJXTLSA-N	1	0	355.442	1.460	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@H](C)CCC=C)C1	ZINC001130587338	939887324	/nfs/dbraw/zinc/88/73/24/939887324.db2.gz	KNPOYGDMJOGYIV-ZIFCJYIRSA-N	1	0	358.486	1.699	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1c1cn(C)cn1	ZINC001130601208	939895289	/nfs/dbraw/zinc/89/52/89/939895289.db2.gz	YVPPILDRUFJWDA-FUHWJXTLSA-N	1	0	371.489	1.342	20	30		FDEDRO
Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2c2cn(C)cn2)o1	ZINC001130590290	939896512	/nfs/dbraw/zinc/89/65/12/939896512.db2.gz	IMBZSMYCHAGGOK-FUHWJXTLSA-N	1	0	355.442	1.460	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCCCF)C1	ZINC001130592730	939899577	/nfs/dbraw/zinc/89/95/77/939899577.db2.gz	CCYPSUICDXZVFB-SOLBZPMBSA-N	1	0	364.465	1.482	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC2CCCC2)C1	ZINC001130592832	939899646	/nfs/dbraw/zinc/89/96/46/939899646.db2.gz	HGVIMONCAHQIRT-VDZJLULYSA-N	1	0	358.486	1.533	20	30		FDEDRO
Cn1cnc([C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2[NH2+]C[C@H]2CCOC2)c1	ZINC001130594588	939901847	/nfs/dbraw/zinc/90/18/47/939901847.db2.gz	PTVNPUGEUFVQIR-SOLBZPMBSA-N	1	0	358.486	1.390	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccnn2C(C)C)C[C@H]1c1cn(C)cn1	ZINC001130598944	939904609	/nfs/dbraw/zinc/90/46/09/939904609.db2.gz	AADYHYLYQZGBAT-DOTOQJQBSA-N	1	0	354.458	1.419	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2nc(CC)c[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130610321	939907572	/nfs/dbraw/zinc/90/75/72/939907572.db2.gz	IPNLMDAYLPIHSW-DOTOQJQBSA-N	1	0	356.474	1.408	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccnc(CCC)c2)C[C@H]1c1cn(C)cn1	ZINC001130612302	939910208	/nfs/dbraw/zinc/91/02/08/939910208.db2.gz	VNZAUJMBHGFTDT-AZUAARDMSA-N	1	0	365.481	1.989	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3cccn3cn2)C[C@H]1c1cn(C)cn1	ZINC001130614706	939911843	/nfs/dbraw/zinc/91/18/43/939911843.db2.gz	CFFZADAYJKGCML-QFBILLFUSA-N	1	0	362.437	1.289	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2[nH]c(=O)[nH]c2C)C[C@H]1c1cn(C)cn1	ZINC001130615133	939912777	/nfs/dbraw/zinc/91/27/77/939912777.db2.gz	MOZLJYSHTRQMJX-DZGCQCFKSA-N	1	0	358.446	1.321	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)[nH]nc2Cl)C[C@H]1c1cn(C)cn1	ZINC001130607670	939919387	/nfs/dbraw/zinc/91/93/87/939919387.db2.gz	IEIMXQJJOMNOJG-GXTWGEPZSA-N	1	0	360.849	1.326	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cncc3C2)C[C@H]1c1cn(C)cn1	ZINC001130622164	939920801	/nfs/dbraw/zinc/92/08/01/939920801.db2.gz	UKVJMPMKUGTMDM-VDZJLULYSA-N	1	0	368.485	1.339	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccnc(C3CC3)c2)C[C@H]1c1cn(C)cn1	ZINC001130623557	939921872	/nfs/dbraw/zinc/92/18/72/939921872.db2.gz	DRQPNVJBBYTKBR-FXAWDEMLSA-N	1	0	363.465	1.914	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ncc(OC)cn2)C[C@H]1c1cn(C)cn1	ZINC001130626915	939924537	/nfs/dbraw/zinc/92/45/37/939924537.db2.gz	UGHOYKZXFCVPFY-DOTOQJQBSA-N	1	0	370.457	1.383	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C(C)(C)C)C[C@H]1c1cn(C)cn1	ZINC001130617032	939928561	/nfs/dbraw/zinc/92/85/61/939928561.db2.gz	PIIWAFHUFFRSDZ-SOLBZPMBSA-N	1	0	360.502	1.636	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CC2CC(F)(F)C2)C[C@H]1c1cn(C)cn1	ZINC001130619435	939930139	/nfs/dbraw/zinc/93/01/39/939930139.db2.gz	RFBFOYTVWHTAOF-GOEBONIOSA-N	1	0	350.413	1.763	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc3ccccn32)C[C@H]1c1cn(C)cn1	ZINC001130621754	939931313	/nfs/dbraw/zinc/93/13/13/939931313.db2.gz	CMTXMZOHWJLQGP-DOTOQJQBSA-N	1	0	364.453	1.842	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccnc(OC)c2)C[C@H]1c1cn(C)cn1	ZINC001130621960	939931545	/nfs/dbraw/zinc/93/15/45/939931545.db2.gz	JERZVLOKTYKVEE-DOTOQJQBSA-N	1	0	355.442	1.598	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCn2ccnc2)C[C@H]1c1cn(C)cn1	ZINC001130637731	939939553	/nfs/dbraw/zinc/93/95/53/939939553.db2.gz	JHIHMFXDGFZMAZ-FUHWJXTLSA-N	1	0	356.474	1.557	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#CC)C1	ZINC001130637957	939940251	/nfs/dbraw/zinc/94/02/51/939940251.db2.gz	TZVJMBOFVQXHNW-ILZDJORESA-N	1	0	358.486	1.556	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+][C@@H](C)COC)C2)cc1	ZINC001130637987	939940317	/nfs/dbraw/zinc/94/03/17/939940317.db2.gz	WILPHZDDWPTOJR-ZAAXVRCTSA-N	1	0	366.465	1.634	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCOCC)C1	ZINC001130649465	939944734	/nfs/dbraw/zinc/94/47/34/939944734.db2.gz	NDUOGIQVOBTQOM-PKOBYXMFSA-N	1	0	360.502	1.924	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ncccc2F)C[C@H]1c1cn(C)cn1	ZINC001130652301	939946528	/nfs/dbraw/zinc/94/65/28/939946528.db2.gz	OHKPXAKFWDHDES-KBXCAEBGSA-N	1	0	355.417	1.104	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccn(CC)c2C)C[C@H]1c1cn(C)cn1	ZINC001130654534	939948147	/nfs/dbraw/zinc/94/81/47/939948147.db2.gz	KTTFLTLEUQSSEF-PKOBYXMFSA-N	1	0	353.470	1.771	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3ccc(F)cc32)C[C@H]1c1cn(C)cn1	ZINC001130654725	939948503	/nfs/dbraw/zinc/94/85/03/939948503.db2.gz	QAWKOXZNBQLOCH-WSTZPKSXSA-N	1	0	366.440	1.806	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC#CCOC)C2)CC1	ZINC001130666935	939959049	/nfs/dbraw/zinc/95/90/49/939959049.db2.gz	AFZRSBHLCAWRKC-PKOBYXMFSA-N	1	0	370.497	1.700	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCC(C)C)C1	ZINC001130680326	939968797	/nfs/dbraw/zinc/96/87/97/939968797.db2.gz	JZLFJZYMOIZLMZ-JFRXWTBNSA-N	1	0	360.502	1.941	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](OC)C(C)C)C[C@H]1c1cn(C)cn1	ZINC001130669847	939970049	/nfs/dbraw/zinc/97/00/49/939970049.db2.gz	KIOAIVQWEMCIIU-JQHSSLGASA-N	1	0	364.490	1.178	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]C[C@@H](C)OC)C2)c1	ZINC001130669911	939970407	/nfs/dbraw/zinc/97/04/07/939970407.db2.gz	MXTCLURCSXRYOD-DKSSEZFCSA-N	1	0	367.453	1.029	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3nc[nH]c32)C[C@H]1c1cn(C)cn1	ZINC001130672095	939971020	/nfs/dbraw/zinc/97/10/20/939971020.db2.gz	GIDREDYQOCEBOK-RLFYNMQTSA-N	1	0	368.485	1.723	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccnc(OCC)c2)C[C@H]1c1cn(C)cn1	ZINC001130672448	939971516	/nfs/dbraw/zinc/97/15/16/939971516.db2.gz	PRDJOKMBIYGWSH-FUHWJXTLSA-N	1	0	367.453	1.435	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2(CF)CC2)C[C@H]1c1cn(C)cn1	ZINC001130672315	939971529	/nfs/dbraw/zinc/97/15/29/939971529.db2.gz	MPNRWXKZULOGQT-GOEBONIOSA-N	1	0	350.438	1.256	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C(C)(F)F)C[C@H]1c1cn(C)cn1	ZINC001130675163	939972980	/nfs/dbraw/zinc/97/29/80/939972980.db2.gz	PANAYHIGOGOIAR-IJEWVQPXSA-N	1	0	370.444	1.798	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3ccncc3C2)C[C@H]1c1cn(C)cn1	ZINC001130677906	939974227	/nfs/dbraw/zinc/97/42/27/939974227.db2.gz	HFMHYYWVAFBUCQ-IMFGXOCKSA-N	1	0	365.481	1.690	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2nonc2C)C[C@H]1c1cn(C)cn1	ZINC001130703966	939984284	/nfs/dbraw/zinc/98/42/84/939984284.db2.gz	BXCATFPPTWRJLA-WMLDXEAASA-N	1	0	358.446	1.204	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn(CCC)c2C)C[C@H]1c1cn(C)cn1	ZINC001130704135	939984724	/nfs/dbraw/zinc/98/47/24/939984724.db2.gz	GIBPTHDPJBSFBI-PKOBYXMFSA-N	1	0	368.485	1.556	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCCc2cccnc2)C[C@H]1c1cn(C)cn1	ZINC001130706646	939988234	/nfs/dbraw/zinc/98/82/34/939988234.db2.gz	QFHPBRRDSHCDPE-AZUAARDMSA-N	1	0	365.481	1.745	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc3ncccn3n2)C[C@H]1c1cn(C)cn1	ZINC001130695113	939989835	/nfs/dbraw/zinc/98/98/35/939989835.db2.gz	FEAQLKXCKIYJIK-WMLDXEAASA-N	1	0	365.441	1.237	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2c(C)n[nH]c2C)C[C@H]1c1cn(C)cn1	ZINC001130698163	939992251	/nfs/dbraw/zinc/99/22/51/939992251.db2.gz	BZDNJNFIXHTLRN-RPVQJOFSSA-N	1	0	368.485	1.471	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)Cc2ccco2)C[C@H]1c1cn(C)cn1	ZINC001130700841	939995975	/nfs/dbraw/zinc/99/59/75/939995975.db2.gz	GHCTUEVLBJFNTM-FUHWJXTLSA-N	1	0	358.442	1.342	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130712946	939999893	/nfs/dbraw/zinc/99/98/93/939999893.db2.gz	UEJVQAZUWBDRQZ-GOEBONIOSA-N	1	0	354.458	1.028	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCCC=C)C2)nc1	ZINC001130714533	940006484	/nfs/dbraw/zinc/00/64/84/940006484.db2.gz	CPXPDSWWXFXRPO-FXAWDEMLSA-N	1	0	363.465	1.960	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COc2cccc(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130728910	940017476	/nfs/dbraw/zinc/01/74/76/940017476.db2.gz	OTQVPTWUOSZPCE-AZUAARDMSA-N	1	0	366.465	1.715	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(OC)c2)C[C@H]1c1cn(C)cn1	ZINC001130717906	940018668	/nfs/dbraw/zinc/01/86/68/940018668.db2.gz	YWNURCWRQIPUEE-PKOBYXMFSA-N	1	0	352.438	1.650	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2cncn2C)C[C@H]1c1cn(C)cn1	ZINC001130721834	940026010	/nfs/dbraw/zinc/02/60/10/940026010.db2.gz	RMKXOHDQXHPFOI-PKOBYXMFSA-N	1	0	370.501	1.637	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(F)cc2F)C[C@H]1c1cn(C)cn1	ZINC001130722074	940026421	/nfs/dbraw/zinc/02/64/21/940026421.db2.gz	ZDUSWXSGABVSAY-MAUKXSAKSA-N	1	0	358.392	1.919	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccccc2C)C[C@H]1c1cn(C)cn1	ZINC001130723772	940028742	/nfs/dbraw/zinc/02/87/42/940028742.db2.gz	WWWGCMZFMMIPHW-AZUAARDMSA-N	1	0	350.466	1.879	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCCn2cccc2)C[C@H]1c1cn(C)cn1	ZINC001130733930	940034373	/nfs/dbraw/zinc/03/43/73/940034373.db2.gz	AMSJRXPKXIYDLS-PKOBYXMFSA-N	1	0	353.470	1.609	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCOCCOC)C[C@H]1c1cn(C)cn1	ZINC001130739898	940042006	/nfs/dbraw/zinc/04/20/06/940042006.db2.gz	UNPYBINJKVLRLO-FUHWJXTLSA-N	1	0	364.490	1.323	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)OC)n2)O1	ZINC001130761619	940067675	/nfs/dbraw/zinc/06/76/75/940067675.db2.gz	DJIUSSVCHRKEPJ-HZSPNIEDSA-N	1	0	351.451	1.232	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccoc3C)n2)O1	ZINC001130756389	940078797	/nfs/dbraw/zinc/07/87/97/940078797.db2.gz	DQXHDYBOWYHBAY-DZGCQCFKSA-N	1	0	357.414	1.469	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3oc(C)cc3C)n2)O1	ZINC001130775444	940092571	/nfs/dbraw/zinc/09/25/71/940092571.db2.gz	WKNLIDAJUKRAHD-UONOGXRCSA-N	1	0	357.414	1.387	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCCOC)n2)O1	ZINC001130767600	940101919	/nfs/dbraw/zinc/10/19/19/940101919.db2.gz	NZKYWRKALJIOSY-LSDHHAIUSA-N	1	0	365.478	1.623	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)SC)n2)O1	ZINC001130767622	940102160	/nfs/dbraw/zinc/10/21/60/940102160.db2.gz	PMUVGROXTGVRNQ-HZSPNIEDSA-N	1	0	367.519	1.948	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)SC)n2)O1	ZINC001130767623	940102361	/nfs/dbraw/zinc/10/23/61/940102361.db2.gz	PMUVGROXTGVRNQ-MELADBBJSA-N	1	0	367.519	1.948	20	30		FDEDRO
CC/C=C/CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)C#N)n2)O1	ZINC001130769265	940105772	/nfs/dbraw/zinc/10/57/72/940105772.db2.gz	AIQCKLSSJHPOTI-MTAKSZMDSA-N	1	0	360.462	1.747	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H](C)OC)n2)O1	ZINC001130769600	940106999	/nfs/dbraw/zinc/10/69/99/940106999.db2.gz	LLPWWTCNLZLNJB-RWMBFGLXSA-N	1	0	371.869	1.408	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc[nH]c3C)n2)O1	ZINC001130772174	940111200	/nfs/dbraw/zinc/11/12/00/940111200.db2.gz	BJISQAZXNMHCSR-DZGCQCFKSA-N	1	0	356.430	1.204	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C#CC3CC3)n2)O1	ZINC001130785244	940119553	/nfs/dbraw/zinc/11/95/53/940119553.db2.gz	HFLZCBXRQJTILQ-HYVNUMGLSA-N	1	0	371.485	1.999	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](OCC)C(C)C)n2)O1	ZINC001130785735	940120809	/nfs/dbraw/zinc/12/08/09/940120809.db2.gz	YNPAPUQFFZDCDX-LZWOXQAQSA-N	1	0	365.478	1.478	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](CC)SC)n2)O1	ZINC001130776414	940124651	/nfs/dbraw/zinc/12/46/51/940124651.db2.gz	DMAVPEJPHJFYBH-BFHYXJOUSA-N	1	0	367.519	1.948	20	30		FDEDRO
C#CCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C[C@H](F)CC)O2)n[nH]1	ZINC001130778122	940130940	/nfs/dbraw/zinc/13/09/40/940130940.db2.gz	GTYZAXPABBWMSU-QLFBSQMISA-N	1	0	365.453	1.782	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3coc(C)n3)n2)O1	ZINC001130778082	940131127	/nfs/dbraw/zinc/13/11/27/940131127.db2.gz	FBGLHBQZBWVDQC-GXTWGEPZSA-N	1	0	360.418	1.417	20	30		FDEDRO
CC(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C#CC(C)(C)C)n2)O1	ZINC001130781338	940137156	/nfs/dbraw/zinc/13/71/56/940137156.db2.gz	ZFPXXCXJQYZCBT-LSDHHAIUSA-N	1	0	361.490	1.936	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)CC(F)F)n2)O1	ZINC001130794031	940144697	/nfs/dbraw/zinc/14/46/97/940144697.db2.gz	IZXVGKJKSFAJPH-SDDRHHMPSA-N	1	0	355.389	1.155	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)CC(F)F)n2)O1	ZINC001130794086	940145049	/nfs/dbraw/zinc/14/50/49/940145049.db2.gz	LVSIWZKMESDDTM-SDDRHHMPSA-N	1	0	357.405	1.708	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)C(C)(C)C)n2)O1	ZINC001130790215	940163068	/nfs/dbraw/zinc/16/30/68/940163068.db2.gz	NFWUNSRHIYJSBG-SOUVJXGZSA-N	1	0	361.490	1.936	20	30		FDEDRO
C#CCC1(C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CC4CC4)O3)n[nH]2)CCC1	ZINC001130790407	940164149	/nfs/dbraw/zinc/16/41/49/940164149.db2.gz	YPVGGHGWQVPPHV-JKSUJKDBSA-N	1	0	371.485	1.834	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3occc3CC)n2)O1	ZINC001130805183	940177660	/nfs/dbraw/zinc/17/76/60/940177660.db2.gz	WXRLETQSLOJAQM-UONOGXRCSA-N	1	0	359.430	1.886	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC(C)(F)F)n2)O1	ZINC001130809227	940186117	/nfs/dbraw/zinc/18/61/17/940186117.db2.gz	MYDFGPGTHIPULU-NWDGAFQWSA-N	1	0	357.405	1.852	20	30		FDEDRO
C=C1CC(C)(C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CC#CC)O3)n[nH]2)C1	ZINC001130809410	940188423	/nfs/dbraw/zinc/18/84/23/940188423.db2.gz	WWKJXAAGPZSQII-LSDHHAIUSA-N	1	0	357.458	1.610	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccn(C)c3C)n2)O1	ZINC001130802434	940197729	/nfs/dbraw/zinc/19/77/29/940197729.db2.gz	ULSZAPNFUOQAIX-GOEBONIOSA-N	1	0	370.457	1.215	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cccnn3)n2)O1	ZINC001130811912	940205842	/nfs/dbraw/zinc/20/58/42/940205842.db2.gz	RIIAPRWMGICYGN-DZGCQCFKSA-N	1	0	371.445	1.301	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C4CC4)n[nH]3)n2)O1	ZINC001130812073	940206421	/nfs/dbraw/zinc/20/64/21/940206421.db2.gz	ZTNUUAYWVDVRKS-SWLSCSKDSA-N	1	0	371.445	1.331	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@]3(C)CCOC3)n2)O1	ZINC001130813355	940211984	/nfs/dbraw/zinc/21/19/84/940211984.db2.gz	MQYIOWWYIOWEOU-PMUMKWKESA-N	1	0	363.462	1.233	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(C)c(C)c3)n2)O1	ZINC001130817382	940221918	/nfs/dbraw/zinc/22/19/18/940221918.db2.gz	NEULADGISWJUCZ-DLBZAZTESA-N	1	0	367.453	1.794	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3COCCO3)C2)c1	ZINC001086647766	940241705	/nfs/dbraw/zinc/24/17/05/940241705.db2.gz	AVNAVGSPMRLSMY-YXJHDRRASA-N	1	0	361.417	1.487	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(F)cc2)C[C@H]1c1cncn1C	ZINC001130887177	940284369	/nfs/dbraw/zinc/28/43/69/940284369.db2.gz	USSIWBDAPOQPQO-QZTJIDSGSA-N	1	0	370.428	1.407	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)/C=C/c2ccco2)C[C@H]1c1cncn1C	ZINC001130895739	940293433	/nfs/dbraw/zinc/29/34/33/940293433.db2.gz	JRCWEAZGSZEYBX-IKSUFZCESA-N	1	0	370.453	1.813	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(F)c2)C[C@H]1c1cncn1C	ZINC001130891998	940306431	/nfs/dbraw/zinc/30/64/31/940306431.db2.gz	WFRWJOWCBPRRMJ-QZTJIDSGSA-N	1	0	370.428	1.407	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(C)nn2C)C[C@H]1c1cncn1C	ZINC001130922561	940320085	/nfs/dbraw/zinc/32/00/85/940320085.db2.gz	KIHGBROUPAWALE-HZPDHXFCSA-N	1	0	356.474	1.626	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C)SC)C[C@H]1c1cncn1C	ZINC001130918956	940328585	/nfs/dbraw/zinc/32/85/85/940328585.db2.gz	XFPSMVVOIWGLEQ-RRFJBIMHSA-N	1	0	352.504	1.258	20	30		FDEDRO
Cn1cncc1[C@@H]1CN(C(=O)CSCC#N)C[C@H]1[NH2+]Cc1ccccn1	ZINC001130921012	940331219	/nfs/dbraw/zinc/33/12/19/940331219.db2.gz	SFPOMZHTXUYWQL-HZPDHXFCSA-N	1	0	370.482	1.156	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2nnc[nH]2)C[C@H]1c1cncn1C	ZINC001130956608	940361299	/nfs/dbraw/zinc/36/12/99/940361299.db2.gz	AHGOJHNSZPORLM-HUUCEWRRSA-N	1	0	357.462	1.021	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2coc(C)c2)C[C@H]1c1cncn1C	ZINC001130968708	940376368	/nfs/dbraw/zinc/37/63/68/940376368.db2.gz	HJVWOSSHLFSEEV-IAGOWNOFSA-N	1	0	356.426	1.169	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1c1cncn1C	ZINC001130964667	940386896	/nfs/dbraw/zinc/38/68/96/940386896.db2.gz	XHZWFYBRIGPPTF-FVQBIDKESA-N	1	0	371.489	1.288	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)n2cncn2)C[C@H]1c1cncn1C	ZINC001130966905	940389406	/nfs/dbraw/zinc/38/94/06/940389406.db2.gz	KABBDOCTGMDBLN-BZUAXINKSA-N	1	0	357.462	1.123	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cncnc2)C[C@H]1c1cncn1C	ZINC001130967022	940389505	/nfs/dbraw/zinc/38/95/05/940389505.db2.gz	KOHJGVACFNIRBW-DJIMGWMZSA-N	1	0	354.458	1.763	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CO[C@H](C)CC)C[C@H]1c1cncn1C	ZINC001130967233	940389879	/nfs/dbraw/zinc/38/98/79/940389879.db2.gz	RHCSRRXETQRSII-BRWVUGGUSA-N	1	0	364.490	1.322	20	30		FDEDRO
Cc1cc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2c2cncn2C)on1	ZINC001130982721	940397479	/nfs/dbraw/zinc/39/74/79/940397479.db2.gz	CLRNEVNRPZGXCZ-IAGOWNOFSA-N	1	0	355.442	1.460	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccccn2)C1	ZINC001130983164	940397882	/nfs/dbraw/zinc/39/78/82/940397882.db2.gz	OJZRCROXODBRCW-HLIPFELVSA-N	1	0	369.469	1.226	20	30		FDEDRO
Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2c2cncn2C)s1	ZINC001130982797	940397903	/nfs/dbraw/zinc/39/79/03/940397903.db2.gz	GPQRKKQUZNTTHZ-IAGOWNOFSA-N	1	0	371.510	1.929	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)Cn2nnc(-c3ccc(C)cc3)n2)CC1	ZINC000747403991	940402584	/nfs/dbraw/zinc/40/25/84/940402584.db2.gz	FBGPYFUDUKFZRD-UHFFFAOYSA-N	1	0	352.442	1.252	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CC(=O)NCC)C[C@H]1c1cncn1C	ZINC001130975501	940403081	/nfs/dbraw/zinc/40/30/81/940403081.db2.gz	AZEGBJNUJUVPGJ-ARFHVFGLSA-N	1	0	361.490	1.185	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(Cl)cnn2C)C[C@H]1c1cncn1C	ZINC001130988758	940410662	/nfs/dbraw/zinc/41/06/62/940410662.db2.gz	MVQNZMIOWVMWSO-TZMCWYRMSA-N	1	0	360.849	1.028	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2ccnn2C)C[C@H]1c1cncn1C	ZINC001130991286	940413564	/nfs/dbraw/zinc/41/35/64/940413564.db2.gz	CCTAOFDBJLLPTJ-GVDBMIGSSA-N	1	0	370.501	1.808	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccccn2)C1	ZINC001130991432	940414209	/nfs/dbraw/zinc/41/42/09/940414209.db2.gz	KAALAKIVZRFQRY-QZTJIDSGSA-N	1	0	351.454	1.559	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCn2cccn2)C1	ZINC001131001951	940428547	/nfs/dbraw/zinc/42/85/47/940428547.db2.gz	RUTNYAJODYINFM-IAGOWNOFSA-N	1	0	356.474	1.557	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cncn2C)C1	ZINC001131003577	940429919	/nfs/dbraw/zinc/42/99/19/940429919.db2.gz	KRDSDUIPWWAQPM-IAGOWNOFSA-N	1	0	370.501	1.840	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccnn2C)C1	ZINC001131004062	940430390	/nfs/dbraw/zinc/43/03/90/940430390.db2.gz	ZRFLPXJRKYPZAM-IAGOWNOFSA-N	1	0	370.501	1.840	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2cnn(C)c2C)C[C@H]1c1cncn1C	ZINC001131006241	940432633	/nfs/dbraw/zinc/43/26/33/940432633.db2.gz	SMBUEYHRPYFHOW-QZTJIDSGSA-N	1	0	370.501	1.555	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn3ncccc23)C[C@H]1c1cncn1C	ZINC001131007695	940434142	/nfs/dbraw/zinc/43/41/42/940434142.db2.gz	GWDSUCCVZLSETP-HZPDHXFCSA-N	1	0	365.441	1.237	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2cc(C3CC3)no2)C[C@H]1c1cncn1C	ZINC001131008102	940434475	/nfs/dbraw/zinc/43/44/75/940434475.db2.gz	UNDWMVGDSINGTO-SJLPKXTDSA-N	1	0	367.453	1.436	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccnn2CCC)C[C@H]1c1cncn1C	ZINC001130998797	940435444	/nfs/dbraw/zinc/43/54/44/940435444.db2.gz	ANEQTLLBKGJZJA-HZPDHXFCSA-N	1	0	356.474	1.801	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C3CC3)cnn2C)C[C@H]1c1cncn1C	ZINC001131010481	940441616	/nfs/dbraw/zinc/44/16/16/940441616.db2.gz	NANYNZLTIMSUOQ-IAGOWNOFSA-N	1	0	366.469	1.252	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCCn2ccnn2)C[C@H]1c1cncn1C	ZINC001131010667	940441795	/nfs/dbraw/zinc/44/17/95/940441795.db2.gz	XRDDZNKAPAPDQK-IAGOWNOFSA-N	1	0	371.489	1.342	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3cc[nH]c3n2)C[C@H]1c1cncn1C	ZINC001131015115	940448604	/nfs/dbraw/zinc/44/86/04/940448604.db2.gz	OLEAYXXDDLSAQE-NVXWUHKLSA-N	1	0	362.437	1.518	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc3cccn3cn2)C[C@H]1c1cncn1C	ZINC001131015424	940448722	/nfs/dbraw/zinc/44/87/22/940448722.db2.gz	XDVQOHJZMBLVGE-SJLPKXTDSA-N	1	0	364.453	1.842	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2nc(C)cs2)C[C@H]1c1cncn1C	ZINC001131030875	940450566	/nfs/dbraw/zinc/45/05/66/940450566.db2.gz	CERBMYIFVAIWEN-HZPDHXFCSA-N	1	0	371.510	1.725	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H]1c1cncn1C	ZINC001131020449	940452865	/nfs/dbraw/zinc/45/28/65/940452865.db2.gz	VISAMOMPZOGFRJ-NVXWUHKLSA-N	1	0	368.485	1.796	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2CCC)C[C@H]1c1cncn1C	ZINC001131023044	940456456	/nfs/dbraw/zinc/45/64/56/940456456.db2.gz	OHONHEZSNACKOQ-NVXWUHKLSA-N	1	0	356.474	1.870	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccnnc2C)C[C@H]1c1cncn1C	ZINC001131025933	940459035	/nfs/dbraw/zinc/45/90/35/940459035.db2.gz	KWDWQGRIEWBLCX-IAGOWNOFSA-N	1	0	354.458	1.683	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3O2)C[C@H]1c1cncn1C	ZINC001131025940	940459052	/nfs/dbraw/zinc/45/90/52/940459052.db2.gz	LITWGDKGWHABMC-HLIPFELVSA-N	1	0	364.449	1.331	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)cncc2C)C[C@H]1c1cncn1C	ZINC001131028997	940463931	/nfs/dbraw/zinc/46/39/31/940463931.db2.gz	VMXDTDFTBMYQNK-IAGOWNOFSA-N	1	0	351.454	1.653	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2(C3CC3)CCC2)C[C@H]1c1cncn1C	ZINC001131038308	940466600	/nfs/dbraw/zinc/46/66/00/940466600.db2.gz	LLIULJIOLXNMQX-QZTJIDSGSA-N	1	0	370.497	1.534	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)c(C)cn2)C[C@H]1c1cncn1C	ZINC001131033948	940470296	/nfs/dbraw/zinc/47/02/96/940470296.db2.gz	ZOPLTTLDFCBXNM-SJLPKXTDSA-N	1	0	351.454	1.653	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC2(C)C)C[C@H]1c1cncn1C	ZINC001131049306	940470667	/nfs/dbraw/zinc/47/06/67/940470667.db2.gz	SMDWUSDRIDYNSO-BRWVUGGUSA-N	1	0	358.486	1.390	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnn(C)c2)C1	ZINC001131051135	940471086	/nfs/dbraw/zinc/47/10/86/940471086.db2.gz	CSKJLIRHQJPYOP-QZTJIDSGSA-N	1	0	368.485	1.431	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(c3cc(C)no3)CC2)C[C@H]1c1cncn1C	ZINC001131051451	940472170	/nfs/dbraw/zinc/47/21/70/940472170.db2.gz	LPDMUBKWLZXYNL-HZPDHXFCSA-N	1	0	367.453	1.356	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCn2cncn2)C1	ZINC001131057770	940477881	/nfs/dbraw/zinc/47/78/81/940477881.db2.gz	VWMOLRPKKYXBCP-GVDBMIGSSA-N	1	0	371.489	1.198	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnnn2CC)C1	ZINC001131059697	940478758	/nfs/dbraw/zinc/47/87/58/940478758.db2.gz	DVNXCEAGJDTNOL-IAGOWNOFSA-N	1	0	371.489	1.472	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3cccnc32)C[C@H]1c1cncn1C	ZINC001131055630	940481529	/nfs/dbraw/zinc/48/15/29/940481529.db2.gz	FHYLYXQFUQGHCK-RCCFBDPRSA-N	1	0	363.465	1.452	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3ccc(F)cc32)C[C@H]1c1cncn1C	ZINC001131055796	940481862	/nfs/dbraw/zinc/48/18/62/940481862.db2.gz	MOYHOHOEKPSFQA-IPMKNSEASA-N	1	0	366.440	1.806	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2cccc(C)c2)C[C@H]1c1cncn1C	ZINC001131066587	940482359	/nfs/dbraw/zinc/48/23/59/940482359.db2.gz	JFNZQGDVUIUHLZ-RTBURBONSA-N	1	0	350.466	1.879	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+][C@@H](C)COC)C2)c1	ZINC001131067959	940483261	/nfs/dbraw/zinc/48/32/61/940483261.db2.gz	DDZWHWBIEOMNAI-BMGDILEWSA-N	1	0	367.453	1.029	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCc2ccccc2)C[C@H]1c1cncn1C	ZINC001131079835	940487332	/nfs/dbraw/zinc/48/73/32/940487332.db2.gz	XJVBUVJNIUQPEX-BHIYHBOVSA-N	1	0	366.465	1.543	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3ccncc3C2)C[C@H]1c1cncn1C	ZINC001131073610	940490199	/nfs/dbraw/zinc/49/01/99/940490199.db2.gz	JXGKFIOQFQTDEB-BHIYHBOVSA-N	1	0	363.465	1.137	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2C2CC2)C[C@H]1c1cncn1C	ZINC001131098366	940492766	/nfs/dbraw/zinc/49/27/66/940492766.db2.gz	ANDJQIMEQPEKCF-HZPDHXFCSA-N	1	0	352.442	1.242	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)nc(C)n2)C[C@H]1c1cncn1C	ZINC001131089324	940494587	/nfs/dbraw/zinc/49/45/87/940494587.db2.gz	AJLMVFXJOSFICJ-NVXWUHKLSA-N	1	0	354.458	1.601	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2nccs2)C[C@H]1c1cncn1C	ZINC001131096607	940497403	/nfs/dbraw/zinc/49/74/03/940497403.db2.gz	ISDJEERMPWSOHP-ZIAGYGMSSA-N	1	0	361.471	1.277	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)cc2)C[C@H]1c1cncn1C	ZINC001131112380	940498791	/nfs/dbraw/zinc/49/87/91/940498791.db2.gz	AGKJOLNXAVJONC-QZTJIDSGSA-N	1	0	352.438	1.650	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cccc2)C[C@H]1c1cncn1C	ZINC001131112776	940498983	/nfs/dbraw/zinc/49/89/83/940498983.db2.gz	MNIYULGDVZTRLH-RCCFBDPRSA-N	1	0	353.470	1.780	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2oc(CC)nc2C)C[C@H]1c1cncn1C	ZINC001131101388	940500495	/nfs/dbraw/zinc/50/04/95/940500495.db2.gz	YONIOQQMOCQBBR-HUUCEWRRSA-N	1	0	355.442	1.500	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCc2cccnc2)C[C@H]1c1cncn1C	ZINC001131103496	940501097	/nfs/dbraw/zinc/50/10/97/940501097.db2.gz	NEUWNDLNZSPQBN-QZTJIDSGSA-N	1	0	353.470	1.908	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCOC2CCOCC2)C[C@H]1c1cncn1C	ZINC001131105645	940501448	/nfs/dbraw/zinc/50/14/48/940501448.db2.gz	CSUCGZHNXJBDMR-IAGOWNOFSA-N	1	0	362.474	1.076	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn(C(C)C)c2C)C[C@H]1c1cncn1C	ZINC001131105858	940501735	/nfs/dbraw/zinc/50/17/35/940501735.db2.gz	IONYPULUXDQJOC-QZTJIDSGSA-N	1	0	368.485	1.727	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2Cl)C[C@H]1c1cncn1C	ZINC001131108616	940502912	/nfs/dbraw/zinc/50/29/12/940502912.db2.gz	YNSMANYNQPYBKT-TZMCWYRMSA-N	1	0	362.865	1.581	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COc2ccc(C)cc2)C[C@H]1c1cncn1C	ZINC001131117484	940504294	/nfs/dbraw/zinc/50/42/94/940504294.db2.gz	AEOXVUZUDLEVET-RTBURBONSA-N	1	0	366.465	1.715	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(C)nc2)C[C@H]1c1cncn1C	ZINC001131123508	940506968	/nfs/dbraw/zinc/50/69/68/940506968.db2.gz	IAOGBSKDVIFYSF-QZTJIDSGSA-N	1	0	351.454	1.274	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(C)nc2)C[C@H]1c1cncn1C	ZINC001131123706	940507224	/nfs/dbraw/zinc/50/72/24/940507224.db2.gz	OGCPYLPGOGLICP-QZTJIDSGSA-N	1	0	351.454	1.274	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)cc2OC)C[C@H]1c1cncn1C	ZINC001131115217	940508646	/nfs/dbraw/zinc/50/86/46/940508646.db2.gz	FBLPXVSNCQQASP-QZTJIDSGSA-N	1	0	366.465	1.958	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2ccc(C)o2)C[C@H]1c1cncn1C	ZINC001131128006	940509928	/nfs/dbraw/zinc/50/99/28/940509928.db2.gz	QGKWUGPDRLUUPJ-QZTJIDSGSA-N	1	0	354.454	1.862	20	30		FDEDRO
C=C[C@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCO)C1)c1ccccc1	ZINC001131130554	940511227	/nfs/dbraw/zinc/51/12/27/940511227.db2.gz	SIFPAENFMSIHPU-IPMKNSEASA-N	1	0	368.481	1.656	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000808022644	940512178	/nfs/dbraw/zinc/51/21/78/940512178.db2.gz	PCBJXAJLXFJTQY-CHWSQXEVSA-N	1	0	372.307	1.780	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[C@H]1CCCO1	ZINC000808022042	940512301	/nfs/dbraw/zinc/51/23/01/940512301.db2.gz	FVOGAJNYORGNAQ-MXSMSXNCSA-N	1	0	361.486	1.053	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCn2ccnc2)C[C@H]1c1cncn1C	ZINC001131133034	940512727	/nfs/dbraw/zinc/51/27/27/940512727.db2.gz	YMGSZMCXPPSWQQ-IAGOWNOFSA-N	1	0	356.474	1.557	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)C2CCOCC2)C[C@H]1c1cncn1C	ZINC001131136302	940513314	/nfs/dbraw/zinc/51/33/14/940513314.db2.gz	GFLSNGQVDUGVOF-KBAYOESNSA-N	1	0	358.486	1.390	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)n(C(C)C)n2)C[C@H]1c1cncn1C	ZINC001131136337	940513338	/nfs/dbraw/zinc/51/33/38/940513338.db2.gz	IFTDTPYMQHRIRM-SJLPKXTDSA-N	1	0	368.485	1.727	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccccn2)C1	ZINC001131136510	940513589	/nfs/dbraw/zinc/51/35/89/940513589.db2.gz	QGBYPCLVKWGMFY-CGTJXYLNSA-N	1	0	369.469	1.490	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CCC(C)C)C[C@H]32)C1	ZINC001131305010	940548417	/nfs/dbraw/zinc/54/84/17/940548417.db2.gz	ZXHYGZUHNDERHU-ZACQAIPSSA-N	1	0	365.474	1.341	20	30		FDEDRO
CCCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C#CC(C)C)C1	ZINC001131307324	940549113	/nfs/dbraw/zinc/54/91/13/940549113.db2.gz	PBLWWPGYJVCIBG-KURKYZTESA-N	1	0	361.486	1.942	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cncc(C)c3)C2)C1=O	ZINC001086664651	940550661	/nfs/dbraw/zinc/55/06/61/940550661.db2.gz	YGUOYAKGTGTTEG-JQHSSLGASA-N	1	0	356.470	1.665	20	30		FDEDRO
C=C(C)CN1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1	ZINC001131316794	940551113	/nfs/dbraw/zinc/55/11/13/940551113.db2.gz	WNXBCVIGENJNGP-BBWFWOEESA-N	1	0	364.490	1.010	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCO[C@H]2C=C)CC1	ZINC001131383539	940559490	/nfs/dbraw/zinc/55/94/90/940559490.db2.gz	MZONAGWNBLQNLT-KSZLIROESA-N	1	0	363.502	1.583	20	30		FDEDRO
CCc1nnc([C@H](C)[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)[nH]1	ZINC001086669127	940597549	/nfs/dbraw/zinc/59/75/49/940597549.db2.gz	PUJHFVGIMQJDOC-SGMGOOAPSA-N	1	0	355.446	1.816	20	30		FDEDRO
C=CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)c2nncn2C)CC1	ZINC001131448456	940601341	/nfs/dbraw/zinc/60/13/41/940601341.db2.gz	AKFHGFMESFOQHN-KYJSFNMBSA-N	1	0	361.490	1.828	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCNC(=O)C2)CC1	ZINC001131467888	940624345	/nfs/dbraw/zinc/62/43/45/940624345.db2.gz	VRTAGGXVMSAIAI-SCTDSRPQSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CO[C@H]2CCOC2)CC1	ZINC001131495802	940647240	/nfs/dbraw/zinc/64/72/40/940647240.db2.gz	FKMPSADTWXNERP-NSHGMRRFSA-N	1	0	366.502	1.744	20	30		FDEDRO
Cc1cc(C[NH2+][C@@H]2CCO[C@H]2C2CCN(C(=O)C#CC(C)C)CC2)ncn1	ZINC001131496409	940647925	/nfs/dbraw/zinc/64/79/25/940647925.db2.gz	ZKOOGKDRJQTJOZ-CTNGQTDRSA-N	1	0	370.497	1.930	20	30		FDEDRO
C#CCOCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC[C@H](C)F)CC1	ZINC001131498679	940648802	/nfs/dbraw/zinc/64/88/02/940648802.db2.gz	JKWYLNKLIGGBMH-WDYCEAGBSA-N	1	0	354.466	1.760	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1	ZINC001131510327	940659074	/nfs/dbraw/zinc/65/90/74/940659074.db2.gz	BARYTTMHNYSEII-LMMKCTJWSA-N	1	0	363.502	1.417	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCn2ccnn2)CC1	ZINC001131515348	940679705	/nfs/dbraw/zinc/67/97/05/940679705.db2.gz	FIBZFBRRCHCUSR-MJGOQNOKSA-N	1	0	359.474	1.067	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(CC#C)CCOCC2)CC1	ZINC001131515489	940680279	/nfs/dbraw/zinc/68/02/79/940680279.db2.gz	NHLDDNPZQVKODD-MOPGFXCFSA-N	1	0	358.482	1.425	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCN2CC#C)CC1	ZINC001131515464	940680329	/nfs/dbraw/zinc/68/03/29/940680329.db2.gz	LSQBWGPBLYJQGM-AABGKKOBSA-N	1	0	357.498	1.093	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2CC(OC)C2)CC1	ZINC001131517513	940684989	/nfs/dbraw/zinc/68/49/89/940684989.db2.gz	VMJSQRDJJHZDQT-GMNCBBECSA-N	1	0	364.486	1.047	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCc2cc(C)on2)CC1	ZINC001131519522	940688878	/nfs/dbraw/zinc/68/88/78/940688878.db2.gz	PMFNKIAGCJSMPW-MJGOQNOKSA-N	1	0	361.442	1.119	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@]23C[C@H]2CCC3)CC1	ZINC001131533807	940704689	/nfs/dbraw/zinc/70/46/89/940704689.db2.gz	UOBUEFUTLMSNTP-WERVVEIQSA-N	1	0	360.498	1.812	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H]2CCCC(=O)N2)CC1	ZINC001131526322	940711198	/nfs/dbraw/zinc/71/11/98/940711198.db2.gz	MCRLVJHJNNJXFM-HLIPFELVSA-N	1	0	361.486	1.054	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2nnn(C)n2)CC1	ZINC001131543601	940719562	/nfs/dbraw/zinc/71/95/62/940719562.db2.gz	KKUGZKFPELWBRJ-IMJJTQAJSA-N	1	0	362.478	1.164	20	30		FDEDRO
C#CCCCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H](C)O)CC1	ZINC001131543686	940719572	/nfs/dbraw/zinc/71/95/72/940719572.db2.gz	ONWDAWNHJIZRDT-HQRMLTQVSA-N	1	0	350.503	1.937	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(=O)N(C)C)CC1	ZINC001131545925	940721772	/nfs/dbraw/zinc/72/17/72/940721772.db2.gz	GLRACTILUYGDCJ-UAGQMJEPSA-N	1	0	365.518	1.661	20	30		FDEDRO
C[NH+](C)C1(CC(=O)N2CCC([C@@H]3OCC[C@H]3NCC#N)CC2)CCCC1	ZINC001131535625	940724825	/nfs/dbraw/zinc/72/48/25/940724825.db2.gz	IOQDWRWLHCWUSZ-MJGOQNOKSA-N	1	0	362.518	1.760	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](CC)NC(C)=O)CC1	ZINC001131570952	940746939	/nfs/dbraw/zinc/74/69/39/940746939.db2.gz	UVJZVQINCAOMSM-QRVBRYPASA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2cnc[nH]2)CC1	ZINC001131572112	940748212	/nfs/dbraw/zinc/74/82/12/940748212.db2.gz	DHWZZOFJHNRKEG-MJGOQNOKSA-N	1	0	362.474	1.141	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)C(C)C)CC1	ZINC001131572132	940748517	/nfs/dbraw/zinc/74/85/17/940748517.db2.gz	DQQWZFXLENYPCV-SUMDDJOVSA-N	1	0	365.518	1.566	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(C)[nH]c2=O)CC1	ZINC001131572459	940748640	/nfs/dbraw/zinc/74/86/40/940748640.db2.gz	ITOVHSOVQKPVGK-MSOLQXFVSA-N	1	0	357.454	1.718	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(C(=O)NC)CC2)CC1	ZINC001131577996	940754983	/nfs/dbraw/zinc/75/49/83/940754983.db2.gz	JXLITPVFJGISFM-SJORKVTESA-N	1	0	363.502	1.465	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc3nncn3c2)CC1	ZINC001131578475	940756084	/nfs/dbraw/zinc/75/60/84/940756084.db2.gz	ZQPXRKUHSGZROS-MJGOQNOKSA-N	1	0	367.453	1.352	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(CC)c[nH]c2=O)CC1	ZINC001131588220	940757547	/nfs/dbraw/zinc/75/75/47/940757547.db2.gz	XONKAYCVRDAUIS-MOPGFXCFSA-N	1	0	371.481	1.972	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn(CC3CC3)c2)CC1	ZINC001131590756	940760669	/nfs/dbraw/zinc/76/06/69/940760669.db2.gz	RHPVMXVABUYXMP-UXHICEINSA-N	1	0	370.497	1.916	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCCCOC)CC1	ZINC001131590900	940761060	/nfs/dbraw/zinc/76/10/60/940761060.db2.gz	YANSFYKLODUQFK-MJGOQNOKSA-N	1	0	354.491	1.601	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H]2CCC(=O)N2)CC1	ZINC001131579875	940765782	/nfs/dbraw/zinc/76/57/82/940765782.db2.gz	BQLJJFJDRODSEF-QKLQHJQFSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(C(=O)NC)CC2)CC1	ZINC001131579918	940765814	/nfs/dbraw/zinc/76/58/14/940765814.db2.gz	FDGPNHPINFXTNF-SJORKVTESA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCC(=O)NC(C)C)CC1	ZINC001131595335	940778420	/nfs/dbraw/zinc/77/84/20/940778420.db2.gz	TUYUQQXFPXWCPC-XLIONFOSSA-N	1	0	365.518	1.853	20	30		FDEDRO
COc1ccccc1[C@H](O)C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000809204613	940784884	/nfs/dbraw/zinc/78/48/84/940784884.db2.gz	ZWYPWEDOLJPQHO-OAHLLOKOSA-N	1	0	361.423	1.059	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2nn(CC)nc2C)CC1	ZINC001131616105	940794212	/nfs/dbraw/zinc/79/42/12/940794212.db2.gz	JRHSCHXHDLVEGY-AEFFLSMTSA-N	1	0	359.474	1.229	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)[C@H]1CCCO1	ZINC000809305342	940810445	/nfs/dbraw/zinc/81/04/45/940810445.db2.gz	BOQQADXOBMZQQD-RTBURBONSA-N	1	0	369.465	1.018	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)[C@H](C)C1	ZINC000809503442	940845323	/nfs/dbraw/zinc/84/53/23/940845323.db2.gz	ZQXHFOYUSXXQMY-PBHICJAKSA-N	1	0	372.469	1.372	20	30		FDEDRO
C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C)C(=O)N(C)CCC#N	ZINC000809562001	940856785	/nfs/dbraw/zinc/85/67/85/940856785.db2.gz	IBHCCFOZTGCBHK-ILXRZTDVSA-N	1	0	352.479	1.982	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)cc1	ZINC000809705472	940889343	/nfs/dbraw/zinc/88/93/43/940889343.db2.gz	TZDHQNDMQLMWNI-ZXYWRSMDSA-N	1	0	356.426	1.930	20	30		FDEDRO
N#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc4n(n3)CCC4)C2)[nH]1	ZINC001086676287	940933167	/nfs/dbraw/zinc/93/31/67/940933167.db2.gz	ORFMGQGDZCCQKM-UONOGXRCSA-N	1	0	352.442	1.717	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc4n3CCCC4)C2)c[nH]1	ZINC001086676511	940948782	/nfs/dbraw/zinc/94/87/82/940948782.db2.gz	HFWIOLBLJOAQJS-DZGCQCFKSA-N	1	0	367.457	1.502	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H](CNC(=O)C(F)(F)F)C1	ZINC000810070912	940952002	/nfs/dbraw/zinc/95/20/02/940952002.db2.gz	YHAJZSMSNIJGJF-WFASDCNBSA-N	1	0	362.396	1.431	20	30		FDEDRO
CCn1nncc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001086690694	941100000	/nfs/dbraw/zinc/10/00/00/941100000.db2.gz	ZBRLPWUWIJPFSX-DLBZAZTESA-N	1	0	352.442	1.858	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N[C@@H]2CN(c3ccc(C#N)nc3)C[C@H]2O)CCCCC1	ZINC001090506574	941189595	/nfs/dbraw/zinc/18/95/95/941189595.db2.gz	IMHJLTLHSPVDDO-QZTJIDSGSA-N	1	0	371.485	1.131	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)NC(=O)Nc2ccccc2F)CC1	ZINC000747818003	941272920	/nfs/dbraw/zinc/27/29/20/941272920.db2.gz	CUFAZBJUVCDECV-CYBMUJFWSA-N	1	0	374.416	1.324	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](Cc2ccc(C(=O)N3CCCC3)cc2)CC1	ZINC000747818468	941273452	/nfs/dbraw/zinc/27/34/52/941273452.db2.gz	SOLLQFLFQFGCQV-UHFFFAOYSA-N	1	0	353.466	1.884	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1	ZINC000747820447	941275025	/nfs/dbraw/zinc/27/50/25/941275025.db2.gz	WYNGMBZNFHTNCT-AWEZNQCLSA-N	1	0	361.873	1.979	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)CC1	ZINC000812839928	941282645	/nfs/dbraw/zinc/28/26/45/941282645.db2.gz	CYTHCNKKVMLVBW-IYWMVGAKSA-N	1	0	361.530	1.415	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C(=O)N(C)OC)CC2)CC1	ZINC000813062665	941318997	/nfs/dbraw/zinc/31/89/97/941318997.db2.gz	FYHPYPJKDKWPBR-UHFFFAOYSA-N	1	0	352.479	1.468	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1	ZINC000813517991	941397354	/nfs/dbraw/zinc/39/73/54/941397354.db2.gz	ZWYJKIPIEDSZPL-LSDHHAIUSA-N	1	0	350.463	1.594	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(c2cnccc2C#N)CC1)[NH+]1CCCCC1	ZINC000813595561	941412841	/nfs/dbraw/zinc/41/28/41/941412841.db2.gz	YWBWWDDGZAEDGV-MRXNPFEDSA-N	1	0	356.474	1.659	20	30		FDEDRO
C#CCN(C(=O)Cn1c2ccc([N+](=O)[O-])cc2oc1=O)C1CC[NH+](C)CC1	ZINC001134043392	941533545	/nfs/dbraw/zinc/53/35/45/941533545.db2.gz	HGOLKOOUHSQXHV-UHFFFAOYSA-N	1	0	372.381	1.059	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccc2c(c1)CCC2	ZINC001134061717	941540514	/nfs/dbraw/zinc/54/05/14/941540514.db2.gz	FNSJRQLTVRCMEA-MSOLQXFVSA-N	1	0	357.454	1.411	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ncnn2CC)C1	ZINC001086717943	941567117	/nfs/dbraw/zinc/56/71/17/941567117.db2.gz	YKALTFRFCPORJY-JKSUJKDBSA-N	1	0	356.474	1.974	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc3n(n2)CCC3)C1	ZINC001086721032	941640464	/nfs/dbraw/zinc/64/04/64/941640464.db2.gz	BSRRBFYSTNYQQE-QKLQHJQFSA-N	1	0	369.513	1.301	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@@H](O)COCc2ccccc2Cl)CC1	ZINC000747968513	941702064	/nfs/dbraw/zinc/70/20/64/941702064.db2.gz	LMSRJGHVSDKRHA-QGZVFWFLSA-N	1	0	364.873	1.679	20	30		FDEDRO
CC(=NNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1	ZINC000814822611	941725981	/nfs/dbraw/zinc/72/59/81/941725981.db2.gz	VBEVKZCKZLMOIF-UHFFFAOYSA-N	1	0	354.432	1.732	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1	ZINC000747983712	941729905	/nfs/dbraw/zinc/72/99/05/941729905.db2.gz	KJQRGCCJJUUOLA-INIZCTEOSA-N	1	0	362.518	1.668	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@H](c2ccco2)[NH+](CC)CC)CC1	ZINC000747983085	941730691	/nfs/dbraw/zinc/73/06/91/941730691.db2.gz	ASSNXVDXXCIPEE-QGZVFWFLSA-N	1	0	374.485	1.834	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(/C=C/C(=O)OC)cc1	ZINC000815082723	941776861	/nfs/dbraw/zinc/77/68/61/941776861.db2.gz	FGJUIQISRUWYLP-DHZHZOJOSA-N	1	0	350.440	1.106	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1cc(C(=O)OC)ccc1Cl	ZINC000815082595	941776874	/nfs/dbraw/zinc/77/68/74/941776874.db2.gz	ARPRBZVXLHVBMU-UHFFFAOYSA-N	1	0	358.847	1.360	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc2c(c1)nnn2C	ZINC001135058327	941874090	/nfs/dbraw/zinc/87/40/90/941874090.db2.gz	LUGKUGJLJPWUHB-YJBOKZPZSA-N	1	0	357.458	1.545	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N(CC(C)C)C(C)C	ZINC001135060526	941886806	/nfs/dbraw/zinc/88/68/06/941886806.db2.gz	CQCXRRDAIIMTGS-HKUYNNGSSA-N	1	0	367.534	1.957	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1=O	ZINC001135121310	941917699	/nfs/dbraw/zinc/91/76/99/941917699.db2.gz	LBBPSFRJXMCWPK-GVDBMIGSSA-N	1	0	361.873	1.936	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N(C)C1CCCCC1	ZINC001135145482	941929228	/nfs/dbraw/zinc/92/92/28/941929228.db2.gz	KIBFIOOOTXCCES-WMZOPIPTSA-N	1	0	351.491	1.465	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1nc(-c2ccc(F)cc2)cs1	ZINC000815859518	941995938	/nfs/dbraw/zinc/99/59/38/941995938.db2.gz	DNUUABWXRRNEDR-UHFFFAOYSA-N	1	0	374.441	1.959	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Oc2ccncc2)cc1	ZINC000815860212	941996167	/nfs/dbraw/zinc/99/61/67/941996167.db2.gz	BBLPXSFRCHVUOS-UHFFFAOYSA-N	1	0	366.421	1.884	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2sccc2-n2cnnn2)C1	ZINC001086743247	942210637	/nfs/dbraw/zinc/21/06/37/942210637.db2.gz	FICLBCZUCFHNNU-NWDGAFQWSA-N	1	0	366.878	1.964	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2ncc(Br)cn2)CC1	ZINC000816749006	942332133	/nfs/dbraw/zinc/33/21/33/942332133.db2.gz	ARPVPICVTIIYEU-NSHDSACASA-N	1	0	351.248	1.762	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)ccc1F	ZINC000816949835	942397748	/nfs/dbraw/zinc/39/77/48/942397748.db2.gz	GGPLKJAERHTIEU-DZGCQCFKSA-N	1	0	367.446	1.066	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(-n3cncn3)nc2)C1	ZINC001086771326	942436744	/nfs/dbraw/zinc/43/67/44/942436744.db2.gz	FFASVOMQGSBIDN-DZGCQCFKSA-N	1	0	360.849	1.903	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCNC(=O)CC3)C2)c1	ZINC001086767461	942441593	/nfs/dbraw/zinc/44/15/93/942441593.db2.gz	MOCXPJNVCFQSGG-GBESFXJTSA-N	1	0	368.481	1.849	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCNC3=O)C2)cc1C#N	ZINC001086776336	942472255	/nfs/dbraw/zinc/47/22/55/942472255.db2.gz	CDDJXUMYGSIRAK-USXIJHARSA-N	1	0	370.453	1.077	20	30		FDEDRO
C#C[C@@H](NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)C1CCOCC1	ZINC000856100099	970909902	/nfs/dbraw/zinc/90/99/02/970909902.db2.gz	KWKXVXJEFSOMTJ-HXUWFJFHSA-N	1	0	361.530	1.727	20	30		FDEDRO
C#C[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CCOCC1	ZINC000856112569	970917145	/nfs/dbraw/zinc/91/71/45/970917145.db2.gz	HUAOYYQIAALRNE-OAHLLOKOSA-N	1	0	354.366	1.939	20	30		FDEDRO
CCOC(=O)C(C)N=Nc1cc(N[C@@]([NH3+])(CC)CO)ccc1[N+](=O)[O-]	ZINC001170866647	942757999	/nfs/dbraw/zinc/75/79/99/942757999.db2.gz	VKLCGVDGZGCDCE-PACYTGELSA-N	1	0	353.379	1.415	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1	ZINC000817808970	942962775	/nfs/dbraw/zinc/96/27/75/942962775.db2.gz	VBKUILZTRJJJPH-BRWVUGGUSA-N	1	0	355.482	1.767	20	30		FDEDRO
CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]Cc1ccc(OC)c(O[C@H](C#N)CC)c1	ZINC000817919685	943077411	/nfs/dbraw/zinc/07/74/11/943077411.db2.gz	UDIVLNONVNIQAI-HDMKZQKVSA-N	1	0	361.442	1.759	20	30		FDEDRO
C=CCCN(OCc1ccccc1)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1	ZINC000817986882	943119520	/nfs/dbraw/zinc/11/95/20/943119520.db2.gz	VEUCLOMOTGGSIS-QGZVFWFLSA-N	1	0	361.442	1.099	20	30		FDEDRO
O=C(NCC[NH2+]Cc1ccc2c(c1)OC(F)(F)O2)C1N=CC=CC1=O	ZINC000818187631	943193009	/nfs/dbraw/zinc/19/30/09/943193009.db2.gz	OOJKNMKKPDHLEV-PFONDFGASA-N	1	0	351.309	1.624	20	30		FDEDRO
CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2([NH3+])CC2)c1	ZINC000818465279	943269188	/nfs/dbraw/zinc/26/91/88/943269188.db2.gz	CSNYAPKJDJQEIG-HKWRFOASSA-N	1	0	364.471	1.709	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CCNS(=O)(=O)c1cc(C)ccc1C	ZINC000818589191	943297512	/nfs/dbraw/zinc/29/75/12/943297512.db2.gz	UDVPTOWQUSIJGZ-UHFFFAOYSA-N	1	0	365.499	1.043	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CCCCN1C(=O)c2ccccc2C1=O	ZINC000818615543	943303407	/nfs/dbraw/zinc/30/34/07/943303407.db2.gz	PKILNIADFJWMND-UHFFFAOYSA-N	1	0	355.438	1.524	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1	ZINC000818595673	943326842	/nfs/dbraw/zinc/32/68/42/943326842.db2.gz	IVRHASADUBOKCJ-GOSISDBHSA-N	1	0	357.454	1.859	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1cn2c(Br)cnc2s1	ZINC000818603131	943328278	/nfs/dbraw/zinc/32/82/78/943328278.db2.gz	OOJCAXMZLXDZIW-UHFFFAOYSA-N	1	0	355.261	1.843	20	30		FDEDRO
CN(C)S(=O)(=O)c1ccccc1C[NH2+]C[C@@H](O)c1ccc(C#N)cc1	ZINC000818945559	943356371	/nfs/dbraw/zinc/35/63/71/943356371.db2.gz	KIUHXMBMABXYIM-QGZVFWFLSA-N	1	0	359.451	1.632	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@H](O)c2ccc(C#N)cc2)cc1	ZINC000818947453	943358451	/nfs/dbraw/zinc/35/84/51/943358451.db2.gz	FACJSUNNIPMFNF-SFHVURJKSA-N	1	0	359.451	1.468	20	30		FDEDRO
C=CCc1cc(C[NH2+]C[C@@H](O)CN2CCOCC2)cc(OC)c1OC	ZINC000818988072	943374634	/nfs/dbraw/zinc/37/46/34/943374634.db2.gz	DDYFBPVAMJIXSY-QGZVFWFLSA-N	1	0	350.459	1.215	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nc(C)cs3)C2)nn1	ZINC001086823150	943384583	/nfs/dbraw/zinc/38/45/83/943384583.db2.gz	PGJRCLMCZFMBAH-UONOGXRCSA-N	1	0	360.487	1.917	20	30		FDEDRO
CC(C)(C)S(=O)(=O)CC[NH2+]C[C@H](O)COc1ccc(CC#N)cc1	ZINC000819059868	943399408	/nfs/dbraw/zinc/39/94/08/943399408.db2.gz	CSKRCWAUPHFVAW-HNNXBMFYSA-N	1	0	354.472	1.295	20	30		FDEDRO
C=C(C)CN1CCC([NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)CC1	ZINC000819024750	943406771	/nfs/dbraw/zinc/40/67/71/943406771.db2.gz	UOCNKMKKHRVCGO-SFHVURJKSA-N	1	0	352.500	1.754	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[NH2+]CCNS(=O)(=O)c2cccs2)cc1	ZINC000819183791	943466420	/nfs/dbraw/zinc/46/64/20/943466420.db2.gz	SERDXIMPRPQUBT-AWEZNQCLSA-N	1	0	351.453	1.221	20	30		FDEDRO
C#C[C@H]([NH2+]C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCCO1	ZINC000819243230	943480325	/nfs/dbraw/zinc/48/03/25/943480325.db2.gz	ZRLURLBGRMSBHM-ULQDDVLXSA-N	1	0	352.475	1.765	20	30		FDEDRO
COc1ccc(C2=NO[C@H](C[NH2+]C[C@H](O)CN(C)CCC#N)C2)cc1C	ZINC000819293191	943505726	/nfs/dbraw/zinc/50/57/26/943505726.db2.gz	PTYZVQHLJLKFSH-IRXDYDNUSA-N	1	0	360.458	1.293	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2	ZINC000819327056	943527728	/nfs/dbraw/zinc/52/77/28/943527728.db2.gz	ZLPSDUBJZYLWPI-HZPDHXFCSA-N	1	0	366.506	1.572	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C)nc(C)n3)C2)C1=O	ZINC001086828761	943624736	/nfs/dbraw/zinc/62/47/36/943624736.db2.gz	OTGQSJHCKCBQIY-GVDBMIGSSA-N	1	0	371.485	1.368	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C[C@@H]21	ZINC000819555520	943646521	/nfs/dbraw/zinc/64/65/21/943646521.db2.gz	WUQPUCHREQGOOI-ILXRZTDVSA-N	1	0	350.463	1.736	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)C1	ZINC001195593819	971063662	/nfs/dbraw/zinc/06/36/62/971063662.db2.gz	ANPQWOTVYNAICW-KURKYZTESA-N	1	0	355.523	1.227	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CN(C)CCN2Cc2ccccc2)CC1	ZINC000856328408	971068081	/nfs/dbraw/zinc/06/80/81/971068081.db2.gz	UJEWNWMYJROTRW-NRFANRHFSA-N	1	0	368.525	1.264	20	30		FDEDRO
C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)[C@H](O)c1ccc(C#N)cc1	ZINC000856411356	971130097	/nfs/dbraw/zinc/13/00/97/971130097.db2.gz	UYWYBFXCMTYFEQ-QZTJIDSGSA-N	1	0	357.454	1.693	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCc2ccccc2)C[C@H]1O	ZINC001195724569	971153290	/nfs/dbraw/zinc/15/32/90/971153290.db2.gz	BGFOYQOTHGSVQB-IPMKNSEASA-N	1	0	362.470	1.082	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccncc1	ZINC000805816183	945533718	/nfs/dbraw/zinc/53/37/18/945533718.db2.gz	YVZKRCPRGAWTJT-QZTJIDSGSA-N	1	0	356.470	1.902	20	30		FDEDRO
C#C[C@H](NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)C1CCOCC1	ZINC000823163005	945544229	/nfs/dbraw/zinc/54/42/29/945544229.db2.gz	DTNLVOQOQDCOFL-SWDXFRIISA-N	1	0	363.502	1.698	20	30		FDEDRO
C#C[C@@H](NC(=O)NC(C)(C)CN1CC[NH+](CC)CC1)C1CCOCC1	ZINC000823164157	945545905	/nfs/dbraw/zinc/54/59/05/945545905.db2.gz	SHRSVUBNTYAZOV-QGZVFWFLSA-N	1	0	350.507	1.130	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1	ZINC000823282345	945640048	/nfs/dbraw/zinc/64/00/48/945640048.db2.gz	OFXIYUXNBOHREZ-GOSISDBHSA-N	1	0	355.482	1.987	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)CCC[NH+]1CCCCC1	ZINC001090718418	945959940	/nfs/dbraw/zinc/95/99/40/945959940.db2.gz	GEKQMCVXUYRSKI-NVXWUHKLSA-N	1	0	356.474	1.555	20	30		FDEDRO
N#CCSCCC[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000822814318	946195176	/nfs/dbraw/zinc/19/51/76/946195176.db2.gz	FDZBPALPBZGUHP-UHFFFAOYSA-N	1	0	357.487	1.631	20	30		FDEDRO
CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1C)C(C)C	ZINC001090752732	946261362	/nfs/dbraw/zinc/26/13/62/946261362.db2.gz	BOMQCGVZOXDIQD-DJIMGWMZSA-N	1	0	358.490	1.656	20	30		FDEDRO
CC[N@H+](C)Cc1cc(O[C@@H]2CCN(S(=O)(=O)CCCC#N)C2)ccn1	ZINC000856539184	971218855	/nfs/dbraw/zinc/21/88/55/971218855.db2.gz	JBWHCHOGXXLUIC-QGZVFWFLSA-N	1	0	366.487	1.620	20	30		FDEDRO
C=CCN1CC[C@@H](N2CC[C@@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)C1=O	ZINC000856584982	971235943	/nfs/dbraw/zinc/23/59/43/971235943.db2.gz	WIWXOCJIGMJEPC-RTBURBONSA-N	1	0	358.486	1.773	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@H]1C	ZINC001090778342	946568754	/nfs/dbraw/zinc/56/87/54/946568754.db2.gz	VCGSWGOZABBZIX-XOKHGSTOSA-N	1	0	361.465	1.883	20	30		FDEDRO
C#CCCCC(=O)NCC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F	ZINC001573282922	946701885	/nfs/dbraw/zinc/70/18/85/946701885.db2.gz	DEKGGNWWTRCVHG-CYBMUJFWSA-N	1	0	358.421	1.794	20	30		FDEDRO
C#CCN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CC[NH+](C/C=C\Cl)CC1	ZINC001573283507	946716896	/nfs/dbraw/zinc/71/68/96/946716896.db2.gz	SMLLAWINFXLMQJ-UTCJRWHESA-N	1	0	373.848	1.487	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1	ZINC001573283715	946724379	/nfs/dbraw/zinc/72/43/79/946724379.db2.gz	VCXXOARXZGOFTB-ZIAGYGMSSA-N	1	0	353.430	1.002	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1	ZINC001573283713	946724542	/nfs/dbraw/zinc/72/45/42/946724542.db2.gz	VCXXOARXZGOFTB-UONOGXRCSA-N	1	0	353.430	1.002	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1	ZINC001090792403	946724906	/nfs/dbraw/zinc/72/49/06/946724906.db2.gz	HMZGKQLZNOVZKR-NVXWUHKLSA-N	1	0	370.501	1.801	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)nn1	ZINC000856624084	971266178	/nfs/dbraw/zinc/26/61/78/971266178.db2.gz	GQVGDARQYWFZHU-QGZVFWFLSA-N	1	0	370.457	1.604	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)C2CCC(=C)CC2)C1	ZINC001195876381	971300170	/nfs/dbraw/zinc/30/01/70/971300170.db2.gz	LUYKFLYUPABVQR-QZTJIDSGSA-N	1	0	361.486	1.095	20	30		FDEDRO
C=C(C)[C@H](CC(=O)NC[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1)OCC	ZINC001573293177	946948532	/nfs/dbraw/zinc/94/85/32/946948532.db2.gz	NUEBVZGYMAWRHJ-BBRMVZONSA-N	1	0	373.461	1.280	20	30		FDEDRO
C=C(C)[C@H](CC(=O)NC[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1)OCC	ZINC001573293178	946948865	/nfs/dbraw/zinc/94/88/65/946948865.db2.gz	NUEBVZGYMAWRHJ-CJNGLKHVSA-N	1	0	373.461	1.280	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1	ZINC001573560413	946951683	/nfs/dbraw/zinc/95/16/83/946951683.db2.gz	CABCUQWSDSSXQZ-LBPRGKRZSA-N	1	0	371.420	1.588	20	30		FDEDRO
CC(C)N(CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)C(=O)[C@@H](C)C#N	ZINC001573560807	946956608	/nfs/dbraw/zinc/95/66/08/946956608.db2.gz	GCGDXRWTONWHIH-ZDUSSCGKSA-N	1	0	373.436	1.834	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C(C)(C)C1	ZINC001573561060	946959644	/nfs/dbraw/zinc/95/96/44/946959644.db2.gz	IHFCPZZDMSSJON-XHDPSFHLSA-N	1	0	371.420	1.492	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H](C)C1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1	ZINC001573293822	946969453	/nfs/dbraw/zinc/96/94/53/946969453.db2.gz	KRHVDTWDSKBYEM-ZDUSSCGKSA-N	1	0	357.462	1.991	20	30		FDEDRO
C=C(C)C[N@@H+](CCOC)C1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1	ZINC001573293852	946969606	/nfs/dbraw/zinc/96/96/06/946969606.db2.gz	LWQJOVHFWLOWPA-UHFFFAOYSA-N	1	0	373.461	1.324	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CC1	ZINC001573562996	946980440	/nfs/dbraw/zinc/98/04/40/946980440.db2.gz	YJRJROBTODLOSY-MLGOLLRUSA-N	1	0	353.430	1.353	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573563966	946987372	/nfs/dbraw/zinc/98/73/72/946987372.db2.gz	DCUMQGOEQIWMIA-XIKOKIGWSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573564439	946992829	/nfs/dbraw/zinc/99/28/29/946992829.db2.gz	IRANRCMPJCOTBP-WCQYABFASA-N	1	0	357.393	1.104	20	30		FDEDRO
CN(CCC#N)c1ccc(CN2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)cc1	ZINC000825148151	946996330	/nfs/dbraw/zinc/99/63/30/946996330.db2.gz	RBHVSUCSVKLALL-FQEVSTJZSA-N	1	0	369.513	1.823	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1CC	ZINC001573295231	947010675	/nfs/dbraw/zinc/01/06/75/947010675.db2.gz	MRQMWTIDVJVTLD-WCQYABFASA-N	1	0	363.853	1.778	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1CC	ZINC001573295232	947011468	/nfs/dbraw/zinc/01/14/68/947011468.db2.gz	MRQMWTIDVJVTLD-YPMHNXCESA-N	1	0	363.853	1.778	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1	ZINC001573295250	947012401	/nfs/dbraw/zinc/01/24/01/947012401.db2.gz	MUVVTZUGSXBXRI-NEPJUHHUSA-N	1	0	363.853	1.778	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC2(C1)CC[NH+](Cc1ccc(-c3nn[nH]n3)s1)CC2	ZINC001573565744	947014447	/nfs/dbraw/zinc/01/44/47/947014447.db2.gz	VIUZLNWSRRAQKI-GFCCVEGCSA-N	1	0	371.470	1.512	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573566735	947032147	/nfs/dbraw/zinc/03/21/47/947032147.db2.gz	GFEVXLZYVRWAFN-STQMWFEESA-N	1	0	371.420	1.494	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1	ZINC001573296202	947043105	/nfs/dbraw/zinc/04/31/05/947043105.db2.gz	ZWFAFUHVJJZJOW-IRXDYDNUSA-N	1	0	370.457	1.396	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H](NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CCCC1	ZINC001573297440	947062672	/nfs/dbraw/zinc/06/26/72/947062672.db2.gz	HPVZRQYYTNOCSR-CQSZACIVSA-N	1	0	363.853	1.826	20	30		FDEDRO
C=C1CC(C)(C(=O)NC[C@H](C)[NH2+]Cc2cc(-c3nn[nH]n3)ccc2OC)C1	ZINC001573297763	947067449	/nfs/dbraw/zinc/06/74/49/947067449.db2.gz	LGLFVQJOFQEEPP-ZDUSSCGKSA-N	1	0	370.457	1.826	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@@]2(C)C1	ZINC001573569576	947073591	/nfs/dbraw/zinc/07/35/91/947073591.db2.gz	BOLKBAYGIFLCIB-JKDFXYPNSA-N	1	0	371.470	1.368	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC[C@H]1C	ZINC001573298742	947083826	/nfs/dbraw/zinc/08/38/26/947083826.db2.gz	RSNLQRZQVIIROL-ZYHUDNBSSA-N	1	0	363.853	1.635	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1	ZINC001573299154	947087659	/nfs/dbraw/zinc/08/76/59/947087659.db2.gz	ICEQMPQYLSLDBX-ZIAGYGMSSA-N	1	0	355.446	1.546	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1	ZINC001573571749	947101550	/nfs/dbraw/zinc/10/15/50/947101550.db2.gz	ALXHHRKTCNQKTG-IUODEOHRSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1CC12CC[NH+](Cc1cccc(-c3nn[nH]n3)c1)CC2	ZINC001573571738	947101861	/nfs/dbraw/zinc/10/18/61/947101861.db2.gz	AKSKOVPTSTUOIT-CZUORRHYSA-N	1	0	365.441	1.497	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CCCC1	ZINC001573571769	947102327	/nfs/dbraw/zinc/10/23/27/947102327.db2.gz	AQHIDSQZFAGCCR-DYVFJYSZSA-N	1	0	367.457	1.791	20	30		FDEDRO
C[C@H](C#N)C(=O)NC1(C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCCC1	ZINC001573572742	947116050	/nfs/dbraw/zinc/11/60/50/947116050.db2.gz	JRLDDCAETHGLBR-GFCCVEGCSA-N	1	0	371.420	1.684	20	30		FDEDRO
C[C@H](C#N)C(=O)NC1(C)CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC001573573631	947124182	/nfs/dbraw/zinc/12/41/82/947124182.db2.gz	OPNYTFBSSJCQIX-CYBMUJFWSA-N	1	0	353.430	1.497	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573304562	947138254	/nfs/dbraw/zinc/13/82/54/947138254.db2.gz	BUOMABJCAVETAA-KGLIPLIRSA-N	1	0	369.473	1.792	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1	ZINC001573576635	947153713	/nfs/dbraw/zinc/15/37/13/947153713.db2.gz	IMIXLZFPGHCSFW-NWDGAFQWSA-N	1	0	359.459	1.559	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC1([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCC1	ZINC001573576695	947155367	/nfs/dbraw/zinc/15/53/67/947155367.db2.gz	IZXNUYRXONKBQR-LLVKDONJSA-N	1	0	357.393	1.294	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)[C@H](C)C#N)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F	ZINC001573577643	947170096	/nfs/dbraw/zinc/17/00/96/947170096.db2.gz	RUFXLIHCBJCIEB-IAQYHMDHSA-N	1	0	359.409	1.396	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCCC1(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1	ZINC001573582312	947189292	/nfs/dbraw/zinc/18/92/92/947189292.db2.gz	CSAHRKPXFAYOAV-LBPRGKRZSA-N	1	0	371.420	1.542	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1	ZINC001573584306	947219230	/nfs/dbraw/zinc/21/92/30/947219230.db2.gz	SWGSSLLSYLQPRX-ZFWWWQNUSA-N	1	0	353.430	1.497	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H](C)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC001573585097	947245789	/nfs/dbraw/zinc/24/57/89/947245789.db2.gz	KIGQVZGDLRUCRA-KGLIPLIRSA-N	1	0	367.457	1.743	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1	ZINC001573586049	947273064	/nfs/dbraw/zinc/27/30/64/947273064.db2.gz	YHACZHPTIRROPW-IUIKQTSFSA-N	1	0	371.420	1.682	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C2	ZINC001110711763	971357047	/nfs/dbraw/zinc/35/70/47/971357047.db2.gz	OAXXSCFIZJSCPO-TVFCKZIOSA-N	1	0	362.518	1.249	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2NCc2nnc(C)o2)cc1	ZINC001090866986	947361759	/nfs/dbraw/zinc/36/17/59/947361759.db2.gz	VITVQMXLGNUUQN-AFAVFJNCSA-N	1	0	369.425	1.631	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nccc(C)n2)C[C@H]1c1ccc(OC)cc1	ZINC001090870290	947388210	/nfs/dbraw/zinc/38/82/10/947388210.db2.gz	CUNBJSWBXXJRLZ-ZWKOTPCHSA-N	1	0	350.422	1.625	20	30		FDEDRO
N#CCCN(Cc1cccnc1)C(=O)[C@@H]1[C@H](O)CCN1Cc1ccccc1	ZINC001143661251	947407689	/nfs/dbraw/zinc/40/76/89/947407689.db2.gz	AATBBYWDYIVGBZ-UXHICEINSA-N	1	0	364.449	1.959	20	30		FDEDRO
C=CCCC(=O)N[C@](C)(CNc1cc(C)[nH+]cc1-c1nn[nH]n1)C1CC1	ZINC001573328576	947408570	/nfs/dbraw/zinc/40/85/70/947408570.db2.gz	YOSOISFNHQTEOX-GOSISDBHSA-N	1	0	355.446	1.655	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(C)nnn2CC)C[C@H]1c1ccc(OC)cc1	ZINC001090874836	947484067	/nfs/dbraw/zinc/48/40/67/947484067.db2.gz	URHBIMRDQAMPIV-ZWKOTPCHSA-N	1	0	367.453	1.446	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1c1ccc(OC)cc1	ZINC001090874832	947484155	/nfs/dbraw/zinc/48/41/55/947484155.db2.gz	UMJFNVUZRBZLNK-RCCFBDPRSA-N	1	0	357.454	1.434	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCN(C)C2=O)C[C@H]1c1ccc(OC)cc1	ZINC001090875502	947493302	/nfs/dbraw/zinc/49/33/02/947493302.db2.gz	WVYCKGWCWDDUGM-YTQUADARSA-N	1	0	371.481	1.634	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CCCOCC(F)(F)F)C[C@H]2O)C1	ZINC001196021414	971388042	/nfs/dbraw/zinc/38/80/42/971388042.db2.gz	UJBYQHNNGCDOPD-CHWSQXEVSA-N	1	0	350.381	1.473	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]cn2)C[C@H]1c1ccc(OC)cc1	ZINC001090872654	947503324	/nfs/dbraw/zinc/50/33/24/947503324.db2.gz	QDCAKIWVWQXBAQ-RBUKOAKNSA-N	1	0	352.438	1.568	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573336576	947508164	/nfs/dbraw/zinc/50/81/64/947508164.db2.gz	PCTCNQWNQTXUBV-XYPHTWIQSA-N	1	0	370.457	1.585	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCNC(=O)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090874321	947524132	/nfs/dbraw/zinc/52/41/32/947524132.db2.gz	ASKLGHAYLXCBEQ-UEXGIBASSA-N	1	0	371.481	1.682	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC(=O)NC2)C[C@H]1c1ccc(OC)cc1	ZINC001090874557	947528032	/nfs/dbraw/zinc/52/80/32/947528032.db2.gz	KPUUKRMPXHKLGR-ZYSHUDEJSA-N	1	0	369.465	1.129	20	30		FDEDRO
C=CC[N@@H+](C)CCN(CC)C(=O)C1(c2cccc(-c3nn[nH]n3)c2)CC1	ZINC001573341444	947529467	/nfs/dbraw/zinc/52/94/67/947529467.db2.gz	MUAWZQIRLNDMRB-UHFFFAOYSA-N	1	0	354.458	1.865	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573343465	947559100	/nfs/dbraw/zinc/55/91/00/947559100.db2.gz	PJRWBXGCCOKUBV-ZACQAIPSSA-N	1	0	368.441	1.291	20	30		FDEDRO
C=CCOCC[NH2+][C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1CC	ZINC001573348068	947579404	/nfs/dbraw/zinc/57/94/04/947579404.db2.gz	MDLCYQGUSZLWIT-HIFRSBDPSA-N	1	0	373.461	1.228	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)nc(C)n2)C[C@H]1c1ccc(OC)cc1	ZINC001090882573	947619311	/nfs/dbraw/zinc/61/93/11/947619311.db2.gz	JPUAONHJCZVCOI-AZUAARDMSA-N	1	0	364.449	1.933	20	30		FDEDRO
CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1	ZINC001573359277	947683963	/nfs/dbraw/zinc/68/39/63/947683963.db2.gz	XZAFWEPRNHMUNF-UHFFFAOYSA-N	1	0	369.473	1.686	20	30		FDEDRO
CO[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@H]1NC(=O)CC[NH+]1CCCCC1	ZINC001090892523	947749144	/nfs/dbraw/zinc/74/91/44/947749144.db2.gz	SJXXRLQBCJKHSM-QZTJIDSGSA-N	1	0	371.485	1.458	20	30		FDEDRO
CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N	ZINC000844193203	947841197	/nfs/dbraw/zinc/84/11/97/947841197.db2.gz	AOMDHYACMIFWKX-KBXCAEBGSA-N	1	0	360.421	1.960	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(c2nc(C)ccc2C#N)C[C@H]1OC	ZINC001090924682	947934785	/nfs/dbraw/zinc/93/47/85/947934785.db2.gz	RHPKXUZZIBPXHC-HZPDHXFCSA-N	1	0	359.474	1.312	20	30		FDEDRO
CO[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C	ZINC001090921027	947949084	/nfs/dbraw/zinc/94/90/84/947949084.db2.gz	UXNHGHYBBLFBQU-NXHRZFHOSA-N	1	0	360.433	1.357	20	30		FDEDRO
CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)Nc1ccn(CC[NH+](C)C)n1	ZINC000844546893	948164335	/nfs/dbraw/zinc/16/43/35/948164335.db2.gz	XLNUADRDEOACHQ-MRXNPFEDSA-N	1	0	356.430	1.514	20	30		FDEDRO
N#Cc1cncc(C[NH+]2CCC3(C[C@H](C(=O)NC4CCC4)CO3)CC2)c1	ZINC001144080291	948200509	/nfs/dbraw/zinc/20/05/09/948200509.db2.gz	HQIAOWXNOSDFMI-KRWDZBQOSA-N	1	0	354.454	1.993	20	30		FDEDRO
C[C@@H]1c2ncc(CN3CC[NH+](C)CC3)n2CCN1Cc1cncc(C#N)c1	ZINC001144080369	948201743	/nfs/dbraw/zinc/20/17/43/948201743.db2.gz	JOMWQFARZJZCIG-MRXNPFEDSA-N	1	0	365.485	1.474	20	30		FDEDRO
C#Cc1cncc(C(=O)NCc2ccc(OCC[NH+](C)C)c(OC)c2)c1	ZINC001144164764	948284830	/nfs/dbraw/zinc/28/48/30/948284830.db2.gz	QGXKYUSIACHVKA-UHFFFAOYSA-N	1	0	353.422	1.942	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@H](C(=O)N3CC=CC3)C3(C2)CCOCC3)nc1	ZINC001144157503	948300088	/nfs/dbraw/zinc/30/00/88/948300088.db2.gz	LUTVCXAODUIWJH-GOSISDBHSA-N	1	0	352.438	1.580	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)c2cnccn2)C3)nc1	ZINC001144158416	948301777	/nfs/dbraw/zinc/30/17/77/948301777.db2.gz	FRGYRGHKXXSKHD-FQEVSTJZSA-N	1	0	362.437	1.872	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccco4)[C@H]3C2)nc1	ZINC001144160918	948305483	/nfs/dbraw/zinc/30/54/83/948305483.db2.gz	YOFIVGDCCTXYKL-VDZJLULYSA-N	1	0	366.421	1.813	20	30		FDEDRO
CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCCCC[NH+]1CCOCC1	ZINC000844882822	948464943	/nfs/dbraw/zinc/46/49/43/948464943.db2.gz	SGBHNIHVLRCHEH-GOSISDBHSA-N	1	0	360.458	1.345	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N1CCO[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]21	ZINC001091047374	948673307	/nfs/dbraw/zinc/67/33/07/948673307.db2.gz	ARRFYVSRUUIIOP-ZWKOTPCHSA-N	1	0	357.458	1.101	20	30		FDEDRO
C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(C#N)CCSC1	ZINC000845358773	949056865	/nfs/dbraw/zinc/05/68/65/949056865.db2.gz	DREVREJDHMUAMU-LRDDRELGSA-N	1	0	356.492	1.347	20	30		FDEDRO
CC(C)(C)C#CC(=O)NC[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573793518	949297965	/nfs/dbraw/zinc/29/79/65/949297965.db2.gz	SWFXXDCTKSPQQH-CQSZACIVSA-N	1	0	367.457	1.644	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N[C@@H]1CN(c2snc(Cl)c2C#N)C[C@@H]1O	ZINC001091126061	949539625	/nfs/dbraw/zinc/53/96/25/949539625.db2.gz	GSOSVLQHBKXYLE-NEPJUHHUSA-N	1	0	371.894	1.066	20	30		FDEDRO
CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C#CC1CC1	ZINC001573811717	949605441	/nfs/dbraw/zinc/60/54/41/949605441.db2.gz	NCCJDZMSMBJLSI-OAHLLOKOSA-N	1	0	372.498	1.962	20	30		FDEDRO
C[C@@H](C[NH+]1CCCC1)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000845665664	949804121	/nfs/dbraw/zinc/80/41/21/949804121.db2.gz	ZTNAGLKOOQRITB-KBPBESRZSA-N	1	0	365.455	1.253	20	30		FDEDRO
C#Cc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C(=O)Nc4cnccn4)[C@@H]3C2)cc1	ZINC001144569454	949948119	/nfs/dbraw/zinc/94/81/19/949948119.db2.gz	RMHULLLQPXHEEJ-QRVBRYPASA-N	1	0	362.433	1.791	20	30		FDEDRO
C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1ccccc1C#N	ZINC001574739643	950201234	/nfs/dbraw/zinc/20/12/34/950201234.db2.gz	UPUXYFRRKBGIEM-LBPRGKRZSA-N	1	0	364.413	1.317	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	ZINC000857234051	971663047	/nfs/dbraw/zinc/66/30/47/971663047.db2.gz	FGHTXALWEGXBRA-WMZOPIPTSA-N	1	0	358.486	1.779	20	30		FDEDRO
C[C@H](C[C@H](C)NC(=O)C#CC1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F	ZINC001574520569	950739707	/nfs/dbraw/zinc/73/97/07/950739707.db2.gz	UTLGKMXWFZNDHM-OLZOCXBDSA-N	1	0	370.432	1.792	20	30		FDEDRO
CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1	ZINC000846242423	950778599	/nfs/dbraw/zinc/77/85/99/950778599.db2.gz	YPBBMXQWAJAGIK-SFHVURJKSA-N	1	0	374.485	1.096	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)N2CCC([NH2+]CCOC)CC2)c(F)c1	ZINC000846319556	950917079	/nfs/dbraw/zinc/91/70/79/950917079.db2.gz	MCOBBMAMRCWDFG-UHFFFAOYSA-N	1	0	365.380	1.112	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N1CCC([NH2+]CCOC)CC1)c1ccncc1	ZINC000846333446	950946367	/nfs/dbraw/zinc/94/63/67/950946367.db2.gz	TYKQMRKIUPQLLZ-KRWDZBQOSA-N	1	0	360.458	1.042	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@@H]3CCN(C(=O)C[NH+](CC)CC)C[C@@H]32)n1	ZINC001091215131	950973135	/nfs/dbraw/zinc/97/31/35/950973135.db2.gz	WEMHQNAJDCWIAS-RDJZCZTQSA-N	1	0	370.501	1.680	20	30		FDEDRO
C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C	ZINC000857311656	971713325	/nfs/dbraw/zinc/71/33/25/971713325.db2.gz	YQPFCRVYTXLEAV-KRWDZBQOSA-N	1	0	352.475	1.583	20	30		FDEDRO
C[C@@H]1[C@@H](Nc2cnc(-c3nn[nH]n3)c(C#N)n2)CC[N@@H+]1Cc1ccccc1	ZINC001571000128	951107563	/nfs/dbraw/zinc/10/75/63/951107563.db2.gz	GFEVXTRWJKTUHK-OCCSQVGLSA-N	1	0	361.413	1.603	20	30		FDEDRO
CC[C@@H](C(=O)N1CC[C@H]2CCN(c3ccc(C#N)nn3)[C@H]2C1)[NH+](CC)CC	ZINC001091230555	951123227	/nfs/dbraw/zinc/12/32/27/951123227.db2.gz	UGWNSPLEYLSBHY-SZMVWBNQSA-N	1	0	370.501	1.896	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC([NH2+]Cc2cc3n(n2)CCCC3)C1	ZINC001091243625	951143373	/nfs/dbraw/zinc/14/33/73/951143373.db2.gz	QRFSDVKBHNPWPH-FUICEZJUSA-N	1	0	358.486	1.795	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC([NH2+]Cc2cccc(C(=O)NC)c2)C1	ZINC001091243651	951143611	/nfs/dbraw/zinc/14/36/11/951143611.db2.gz	SAIKOADDHAXHAP-AWRGBYNESA-N	1	0	371.481	1.622	20	30		FDEDRO
C[N@@H+]1CC[C@@H](Nc2cnc(-c3nn[nH]n3)c(C#N)n2)[C@H]1c1ccc(F)cc1	ZINC001571014522	951286546	/nfs/dbraw/zinc/28/65/46/951286546.db2.gz	DHGLFSVVJBQMGD-MLGOLLRUSA-N	1	0	365.376	1.525	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(C#N)n1	ZINC001091279691	951298284	/nfs/dbraw/zinc/29/82/84/951298284.db2.gz	FFVLEHYWMFYREE-BZUAXINKSA-N	1	0	362.453	1.867	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)N[C@@H]2CCCC[C@H]2Nc2ccc(C#N)nc2)CC1	ZINC001091273962	951319664	/nfs/dbraw/zinc/31/96/64/951319664.db2.gz	BWSAYRHGEIAZBC-RTBURBONSA-N	1	0	371.485	1.903	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[C@@]2(C)C[C@@]2(F)Cl)CC1	ZINC000846727761	951498764	/nfs/dbraw/zinc/49/87/64/951498764.db2.gz	BPEVNQCRDBNLBN-IRXDYDNUSA-N	1	0	359.873	1.964	20	30		FDEDRO
C=CCOC(=O)N[C@@H]1CCCN(C(=O)[C@H]([NH3+])Cc2cccc(OC)c2)C1	ZINC001144936823	951589244	/nfs/dbraw/zinc/58/92/44/951589244.db2.gz	BZFUBPOFJPULIR-NVXWUHKLSA-N	1	0	361.442	1.468	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@@H]3CCO[C@H]3C=C)c2)C1	ZINC001091404982	951599590	/nfs/dbraw/zinc/59/95/90/951599590.db2.gz	QKXGFLZBTGSEMA-OTWHNJEPSA-N	1	0	355.438	1.375	20	30		FDEDRO
C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cc(C#N)c[nH]1	ZINC001575095151	951811205	/nfs/dbraw/zinc/81/12/05/951811205.db2.gz	SNHSBUSIVZSRGJ-LBPRGKRZSA-N	1	0	364.413	1.317	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cccn4C)C[C@]3(C)C2)C1=O	ZINC001091489601	951895825	/nfs/dbraw/zinc/89/58/25/951895825.db2.gz	ZNOFSQLPKWQHME-MDYRTPRTSA-N	1	0	356.470	1.206	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)CC(F)(F)F)C[C@]3(C)C2)C1=O	ZINC001091525812	951936269	/nfs/dbraw/zinc/93/62/69/951936269.db2.gz	MZGIZPDTUXBVSW-IOASZLSFSA-N	1	0	359.392	1.506	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3CCOC3)C[C@H]1C[N@H+](Cc1ccc(OCC#N)cc1)C2	ZINC001091529033	951948500	/nfs/dbraw/zinc/94/85/00/951948500.db2.gz	ZAZCUXPPELRWNY-UEXGIBASSA-N	1	0	369.465	1.906	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001091539232	951968672	/nfs/dbraw/zinc/96/86/72/951968672.db2.gz	XXJNURDJYCFJDO-HLIPFELVSA-N	1	0	352.438	1.117	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3ccccn3c1=O)C2	ZINC001110723645	971801021	/nfs/dbraw/zinc/80/10/21/971801021.db2.gz	RYBQVOODSSZTHL-OIISXLGYSA-N	1	0	368.437	1.232	20	30		FDEDRO
CN1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@@]3(C)C2)C1	ZINC001091565696	952093319	/nfs/dbraw/zinc/09/33/19/952093319.db2.gz	VNUPOTPJPNRNJL-URVUXULASA-N	1	0	367.493	1.149	20	30		FDEDRO
C[C@]12CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]1C[N@H+](C[C@H]1CCc3ncnn31)C2	ZINC001091574355	952110800	/nfs/dbraw/zinc/11/08/00/952110800.db2.gz	FQNIJWPQUGSJJF-CLCXKQKWSA-N	1	0	365.441	1.059	20	30		FDEDRO
Cc1nn(C)cc1C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@]2(C)C1	ZINC001091606504	952250002	/nfs/dbraw/zinc/25/00/02/952250002.db2.gz	KHXIGBYCOPGNOU-BEFAXECRSA-N	1	0	352.442	1.522	20	30		FDEDRO
C[C@]12CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]1C[N@H+](CC(=O)NC1CCCC1)C2	ZINC001091612832	952286217	/nfs/dbraw/zinc/28/62/17/952286217.db2.gz	GEPFPLDYDQTCAT-QRWLVFNGSA-N	1	0	369.469	1.339	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC[C@H]1CC[C@@H](Nc2ccnc(C#N)n2)C1	ZINC001091612051	952293085	/nfs/dbraw/zinc/29/30/85/952293085.db2.gz	HCUCLKJAEDKKGN-BBWFWOEESA-N	1	0	370.501	1.730	20	30		FDEDRO
Cc1cnc(C[N@@H+]2C[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@]3(C)C2)cn1	ZINC001091613181	952305377	/nfs/dbraw/zinc/30/53/77/952305377.db2.gz	MRMYRUXXUSQNIV-BEFAXECRSA-N	1	0	350.426	1.579	20	30		FDEDRO
Cn1nccc1CC[N@@H+]1C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@]2(C)C1	ZINC001091613213	952306266	/nfs/dbraw/zinc/30/62/66/952306266.db2.gz	NSOOFRVWITWFGU-BEFAXECRSA-N	1	0	352.442	1.256	20	30		FDEDRO
C[NH+](C)C1(CC(=O)NC[C@H]2CC[C@@H](Nc3ccnc(C#N)n3)C2)CCCC1	ZINC001091618352	952327445	/nfs/dbraw/zinc/32/74/45/952327445.db2.gz	KEQJOUCNWXVJGT-JKSUJKDBSA-N	1	0	370.501	1.731	20	30		FDEDRO
N#Cc1nccnc1N[C@@H]1CC[C@H](CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1	ZINC001091620731	952336106	/nfs/dbraw/zinc/33/61/06/952336106.db2.gz	DWGSJUDKZBXOQX-YXJHDRRASA-N	1	0	368.485	1.919	20	30		FDEDRO
Cc1cc(C#N)nc(N[C@@H]2CC[C@H](CNC(=O)C[N@H+]3CCC[C@H]3C)C2)n1	ZINC001091632133	952400256	/nfs/dbraw/zinc/40/02/56/952400256.db2.gz	HONGWTWCWKWMCM-OWCLPIDISA-N	1	0	356.474	1.838	20	30		FDEDRO
CCOC(=O)C1(C#N)CCN(C(=S)NCCC[NH+](CC)CC)CC1	ZINC001196679223	971831802	/nfs/dbraw/zinc/83/18/02/971831802.db2.gz	SXCKBGUAGXEGOZ-UHFFFAOYSA-N	1	0	354.520	1.762	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@@]3(C)C2)o1	ZINC001091644969	952471467	/nfs/dbraw/zinc/47/14/67/952471467.db2.gz	NRSSGMLLXVCPJB-NQIIRXRSSA-N	1	0	364.449	1.753	20	30		FDEDRO
CC(C)(C)n1nnc(CC[N@@H+]2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]3(C)C2)n1	ZINC001091659209	952518871	/nfs/dbraw/zinc/51/88/71/952518871.db2.gz	HORVCRKGLVVDGF-UZLBHIALSA-N	1	0	370.501	1.164	20	30		FDEDRO
C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1C[N@H+](C[C@H](O)Cc1ccc(F)cc1)C2	ZINC001091659559	952519930	/nfs/dbraw/zinc/51/99/30/952519930.db2.gz	OYCVSEPNVQIHJB-UZKOGDIHSA-N	1	0	370.468	1.923	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]c3c2cccc3C)C1	ZINC001196659179	971846436	/nfs/dbraw/zinc/84/64/36/971846436.db2.gz	JGSSMYUWVNFKSM-QZTJIDSGSA-N	1	0	357.454	1.383	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)C1=CN2C(=CC=C[C@H]2C(F)(F)F)N1	ZINC001148023302	952594646	/nfs/dbraw/zinc/59/46/46/952594646.db2.gz	ZZNGEWSBCUMYNL-JSGCOSHPSA-N	1	0	354.376	1.842	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1COCCN1C(C)=O)C2	ZINC001110121073	952662151	/nfs/dbraw/zinc/66/21/51/952662151.db2.gz	KCYLQBAECPNNGD-YDZRNGNQSA-N	1	0	363.502	1.702	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCOC[C@H]1CCCO1)C2	ZINC001148310744	952679569	/nfs/dbraw/zinc/67/95/69/952679569.db2.gz	MMIQXCYARMQVHO-KURKYZTESA-N	1	0	364.486	1.307	20	30		FDEDRO
C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@@H]1CCCNc1ccnc(C#N)n1	ZINC001091704469	952682577	/nfs/dbraw/zinc/68/25/77/952682577.db2.gz	AQRKVVGAPFDRAI-BRWVUGGUSA-N	1	0	370.501	1.541	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cc(-c4ccn(C)c4)n[nH]3)C[C@]2(C)C1	ZINC001091728031	952739166	/nfs/dbraw/zinc/73/91/66/952739166.db2.gz	OFTRKXXNEUVWAC-UZLBHIALSA-N	1	0	351.454	1.832	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C)n3nnnc3C(C)(C)C)C[C@]2(C)C1	ZINC001091724594	952741471	/nfs/dbraw/zinc/74/14/71/952741471.db2.gz	FKDMVLRZBKYDIC-CLCXKQKWSA-N	1	0	360.506	1.888	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cc(=O)[nH]c4ncn(C)c43)C[C@]2(C)C1	ZINC001091730535	952749722	/nfs/dbraw/zinc/74/97/22/952749722.db2.gz	ZWHANSVIDUCXJC-YJYMSZOUSA-N	1	0	353.426	1.091	20	30		FDEDRO
C=CCOCc1nn(C)c2c1CN(C(=O)c1ccc(NC(N)=[NH2+])cc1)CC2	ZINC001148646235	952762551	/nfs/dbraw/zinc/76/25/51/952762551.db2.gz	AGNGQAROTPRVOQ-UHFFFAOYSA-N	1	0	368.441	1.627	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc4c(c3)OCC(=O)N4)C[C@]2(C)C1	ZINC001091740961	952770086	/nfs/dbraw/zinc/77/00/86/952770086.db2.gz	SSCHIKTYQLJWCX-QRWLVFNGSA-N	1	0	353.422	1.435	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cnn(CC(F)(F)F)c3)C[C@]2(C)C1	ZINC001091743872	952778065	/nfs/dbraw/zinc/77/80/65/952778065.db2.gz	ZDGKLONADLJSEJ-ZBFHGGJFSA-N	1	0	354.376	1.863	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CNC(=O)c4ccccc43)C[C@]2(C)C1	ZINC001091746512	952787144	/nfs/dbraw/zinc/78/71/44/952787144.db2.gz	VDNFISAQXYAIIW-YWMUFLPLSA-N	1	0	351.450	1.317	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@]3(C4CCCC4)CCNC3=O)C[C@]2(C)C1	ZINC001091751275	952800143	/nfs/dbraw/zinc/80/01/43/952800143.db2.gz	ZJCOAYPCDOUQED-JRGCBEDISA-N	1	0	357.498	1.487	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3CCCNC3=O)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001091759613	952812265	/nfs/dbraw/zinc/81/22/65/952812265.db2.gz	LGUMXBWNYRIYQE-DXIQSLLYSA-N	1	0	365.477	1.345	20	30		FDEDRO
C=C(Br)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1OCCO[C@H]1C	ZINC001171343803	952855702	/nfs/dbraw/zinc/85/57/02/952855702.db2.gz	XXKOPXXTKKAXGH-RDBSUJKOSA-N	1	0	363.296	1.964	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccnc(OC)n3)C2)cn1	ZINC001086857755	952876244	/nfs/dbraw/zinc/87/62/44/952876244.db2.gz	UIHWIDJTAQVQEU-WMLDXEAASA-N	1	0	365.437	1.550	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccnn2C)C1	ZINC001086856632	952903464	/nfs/dbraw/zinc/90/34/64/952903464.db2.gz	LMVCMSKDRSOLNB-JKSUJKDBSA-N	1	0	367.453	1.515	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@@H]3CCNC(=O)CC3)C2)nc1	ZINC001086857009	952903962	/nfs/dbraw/zinc/90/39/62/952903962.db2.gz	GEWPZYPNVCNSJS-OKZBNKHCSA-N	1	0	368.481	1.467	20	30		FDEDRO
C=C(Cl)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)CC1	ZINC001086943281	952945541	/nfs/dbraw/zinc/94/55/41/952945541.db2.gz	PYEUHNBSPNLINV-QLFBSQMISA-N	1	0	369.893	1.475	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)/C(C)=C/C)C[C@H]2c2cnn(C)c2)C1=O	ZINC001086974086	952981496	/nfs/dbraw/zinc/98/14/96/952981496.db2.gz	VCBWHOUVKFPPTM-LRCZLATKSA-N	1	0	371.485	1.057	20	30		FDEDRO
Cc1cc(C[NH2+][C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2c2cnn(C)c2)ncn1	ZINC001086978093	952989469	/nfs/dbraw/zinc/98/94/69/952989469.db2.gz	DCKBLSXXEVYMCY-RBUKOAKNSA-N	1	0	364.453	1.016	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)n(C)n2)C[C@H]1c1cnn(C)c1	ZINC001086978127	952989577	/nfs/dbraw/zinc/98/95/77/952989577.db2.gz	FODUNLOFJWQZLD-DOTOQJQBSA-N	1	0	356.474	1.661	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2ccnc2CC)C[C@H]1c1cnn(C)c1	ZINC001086979476	952993161	/nfs/dbraw/zinc/99/31/61/952993161.db2.gz	AYIZEFVBKYCTMP-BPQIPLTHSA-N	1	0	368.485	1.348	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2c(CC)noc2CC)C[C@H]1c1cnn(C)c1	ZINC001086982872	952996256	/nfs/dbraw/zinc/99/62/56/952996256.db2.gz	JFMFDNDLYHCZEG-FUHWJXTLSA-N	1	0	371.485	1.846	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2nc(C)sc2C)C[C@H]1c1cnn(C)c1	ZINC001086984221	952998792	/nfs/dbraw/zinc/99/87/92/952998792.db2.gz	FERBAAPLRFRXLU-DOTOQJQBSA-N	1	0	357.483	1.253	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)ncn3C)C[C@H]1c1cnn(C)c1	ZINC001086984934	953000306	/nfs/dbraw/zinc/00/03/06/953000306.db2.gz	KSVGGSAPZQYCIC-FUHWJXTLSA-N	1	0	364.453	1.691	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cnc3ccccn23)C[C@H]1c1cnn(C)c1	ZINC001086985447	953002271	/nfs/dbraw/zinc/00/22/71/953002271.db2.gz	KWQWPLKOZMOHBY-DLBZAZTESA-N	1	0	364.453	1.842	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C(F)F)nn2C)C[C@H]1c1cnn(C)c1	ZINC001086987351	953009414	/nfs/dbraw/zinc/00/94/14/953009414.db2.gz	NNFVITUBKXLUSQ-GXTWGEPZSA-N	1	0	364.400	1.475	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nc(C)n3ccccc23)C[C@H]1c1cnn(C)c1	ZINC001086987507	953010135	/nfs/dbraw/zinc/01/01/35/953010135.db2.gz	WCKWHFLLCHAYDW-DLBZAZTESA-N	1	0	362.437	1.207	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C2(C3CC3)CCOCC2)C[C@H]1c1cnn(C)c1	ZINC001086989471	953014395	/nfs/dbraw/zinc/01/43/95/953014395.db2.gz	CKBCGVYONCSLFT-ZWKOTPCHSA-N	1	0	358.486	1.697	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ncoc2[C@H]2CCCO2)C[C@H]1c1cnn(C)c1	ZINC001086990519	953018062	/nfs/dbraw/zinc/01/80/62/953018062.db2.gz	GTBCMJBABQTVBY-ARFHVFGLSA-N	1	0	369.425	1.091	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cnns2)C1	ZINC001086990599	953018388	/nfs/dbraw/zinc/01/83/88/953018388.db2.gz	LRORGDCAJCMTAD-LSDHHAIUSA-N	1	0	360.487	1.568	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C2(c3cc(C)no3)CC2)C[C@H]1c1cnn(C)c1	ZINC001086993194	953026211	/nfs/dbraw/zinc/02/62/11/953026211.db2.gz	LGVGUDUTYKHVSR-DLBZAZTESA-N	1	0	369.469	1.908	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3cccnc32)C[C@H]1c1cnn(C)c1	ZINC001086993475	953027221	/nfs/dbraw/zinc/02/72/21/953027221.db2.gz	BKQLHZHRMFHQSW-FGTMMUONSA-N	1	0	351.454	1.615	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccnc3c2ncn3C)C[C@H]1c1cnn(C)c1	ZINC001086996668	953037769	/nfs/dbraw/zinc/03/77/69/953037769.db2.gz	PNYBRBANNFHVTH-JKSUJKDBSA-N	1	0	365.441	1.086	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccn3cc(C)nc3c2)C[C@H]1c1cnn(C)c1	ZINC001086996735	953038414	/nfs/dbraw/zinc/03/84/14/953038414.db2.gz	RVEJYYOQJQAVLB-ZWKOTPCHSA-N	1	0	364.453	1.760	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cc2OC)C[C@H]1c1cnn(C)c1	ZINC001086997335	953039992	/nfs/dbraw/zinc/03/99/92/953039992.db2.gz	ZGIYQLVVDQYESN-JKSUJKDBSA-N	1	0	371.441	1.303	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C2(CF)CCOCC2)C[C@H]1c1cnn(C)c1	ZINC001086997260	953040132	/nfs/dbraw/zinc/04/01/32/953040132.db2.gz	UQWAXMRYJMWBME-DLBZAZTESA-N	1	0	364.465	1.647	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnnc3ccccc32)C[C@H]1c1cnn(C)c1	ZINC001086999030	953045691	/nfs/dbraw/zinc/04/56/91/953045691.db2.gz	PHZADSCKBUCISZ-PKOBYXMFSA-N	1	0	362.437	1.747	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(CC)cc2)C[C@H]1c1cnn(C)c1	ZINC001086999461	953047337	/nfs/dbraw/zinc/04/73/37/953047337.db2.gz	HKZKEXCKIBHODH-VQTJNVASSA-N	1	0	350.466	1.742	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc([C@H](C)CC)no2)C[C@H]1c1cnn(C)c1	ZINC001087000650	953051474	/nfs/dbraw/zinc/05/14/74/953051474.db2.gz	HVKJEIFFLZVSDE-UKPHBRMFSA-N	1	0	355.442	1.753	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2sc(CC)nc2C)C[C@H]1c1cnn(C)c1	ZINC001087001917	953056531	/nfs/dbraw/zinc/05/65/31/953056531.db2.gz	WNOUIKKRZKASGE-LSDHHAIUSA-N	1	0	357.483	1.578	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cc(C)oc2C)C[C@H]1c1cnn(C)c1	ZINC001087002257	953057425	/nfs/dbraw/zinc/05/74/25/953057425.db2.gz	PXYACSBBHPKRNV-MDASCCDHSA-N	1	0	354.454	1.951	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](c2cccnc2)C(C)C)C[C@H]1c1cnn(C)c1	ZINC001087003713	953060394	/nfs/dbraw/zinc/06/03/94/953060394.db2.gz	LPNQETFTPPFJPZ-XUVXKRRUSA-N	1	0	365.481	1.772	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)COC)C[C@H]1C[NH2+]Cc1ccc(OC)c(C#N)c1	ZINC001087014053	953069293	/nfs/dbraw/zinc/06/92/93/953069293.db2.gz	YOPHOMQZAQHUET-SJLPKXTDSA-N	1	0	361.442	1.166	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC3(CCC3)CO2)C[C@H]1c1cnn(C)c1	ZINC001087006526	953090475	/nfs/dbraw/zinc/09/04/75/953090475.db2.gz	HIUKPKNCJQXXKC-CEXWTWQISA-N	1	0	370.497	1.677	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc3c(cn2)OCCC3)C[C@H]1c1cnn(C)c1	ZINC001087007404	953093002	/nfs/dbraw/zinc/09/30/02/953093002.db2.gz	BUQRDPVOZNKLBW-FUHWJXTLSA-N	1	0	367.453	1.524	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COc2cccc(F)c2)C[C@H]1c1cnn(C)c1	ZINC001087009281	953097728	/nfs/dbraw/zinc/09/77/28/953097728.db2.gz	ZNARVRLCYNPWDI-ZWKOTPCHSA-N	1	0	356.401	1.155	20	30		FDEDRO
C=C[C@@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1)c1ccccc1	ZINC001087010633	953101718	/nfs/dbraw/zinc/10/17/18/953101718.db2.gz	JZZVLURFHPSYNS-CEXWTWQISA-N	1	0	354.454	1.266	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](OC)C2CCCCC2)C[C@H]1c1cnn(C)c1	ZINC001087012371	953107066	/nfs/dbraw/zinc/10/70/66/953107066.db2.gz	UFIZAJWZIOHAOG-OTWHNJEPSA-N	1	0	358.486	1.533	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087022964	953138141	/nfs/dbraw/zinc/13/81/41/953138141.db2.gz	NLLIGVFPENXGKX-GUDVDZBRSA-N	1	0	357.454	1.690	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3ccoc3)C[C@H]2OCC)C1=O	ZINC001087025276	953142692	/nfs/dbraw/zinc/14/26/92/953142692.db2.gz	PDJWKBWYVLFHFM-IXDOHACOSA-N	1	0	361.442	1.133	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1cn(C(C)(C)C)nn1	ZINC001087035538	953145292	/nfs/dbraw/zinc/14/52/92/953145292.db2.gz	DKCXBLVYIJLNLF-IIAWOOMASA-N	1	0	362.478	1.146	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1cccc(N(C)C)c1	ZINC001087035727	953145600	/nfs/dbraw/zinc/14/56/00/953145600.db2.gz	LBLZVPMENSLOMB-KVSKMBFKSA-N	1	0	358.486	1.865	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1cc(C)no1	ZINC001087039984	953156157	/nfs/dbraw/zinc/15/61/57/953156157.db2.gz	MQNWNZUOFYOSAL-RHSMWYFYSA-N	1	0	357.414	1.450	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1cc(C)n(C)n1	ZINC001087040192	953157169	/nfs/dbraw/zinc/15/71/69/953157169.db2.gz	WHPDFBJSJBVUBI-CRAIPNDOSA-N	1	0	370.457	1.195	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1cn(C)nc1C	ZINC001087040257	953157194	/nfs/dbraw/zinc/15/71/94/953157194.db2.gz	ZFHGVFJPOILEFA-SJLPKXTDSA-N	1	0	370.457	1.195	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1ccc(CO)cc1	ZINC001087053327	953185160	/nfs/dbraw/zinc/18/51/60/953185160.db2.gz	JHTFRSIHLURUNA-WOJBJXKFSA-N	1	0	356.466	1.545	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1cc(C)n(C)n1	ZINC001087046898	953194970	/nfs/dbraw/zinc/19/49/70/953194970.db2.gz	GWDQTSUKEAMUOT-CRAIPNDOSA-N	1	0	370.457	1.195	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cnco2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087070624	953223059	/nfs/dbraw/zinc/22/30/59/953223059.db2.gz	ZKYLZXHHXGZCPW-SJLPKXTDSA-N	1	0	354.410	1.813	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cnnn3C)[C@H](OCC)C2)cc1	ZINC001087071264	953225467	/nfs/dbraw/zinc/22/54/67/953225467.db2.gz	GJIGXNKZAXWQOS-IEBWSBKVSA-N	1	0	367.453	1.063	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2nn(CC)nc2C)[C@H](OCC)C1	ZINC001087071744	953226501	/nfs/dbraw/zinc/22/65/01/953226501.db2.gz	BGRLIZRKYOVLCY-NVXWUHKLSA-N	1	0	363.506	1.772	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087076435	953232821	/nfs/dbraw/zinc/23/28/21/953232821.db2.gz	AZOAGDJAECLNBJ-RTBURBONSA-N	1	0	368.437	1.742	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3cnoc3C)[C@H](OCC)C2)c1	ZINC001087082448	953241004	/nfs/dbraw/zinc/24/10/04/953241004.db2.gz	MCRMQAYSLBAGOT-RTBURBONSA-N	1	0	368.437	1.626	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087087544	953249133	/nfs/dbraw/zinc/24/91/33/953249133.db2.gz	NAPLTFLKQCCFOA-RTBURBONSA-N	1	0	365.437	1.615	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCOC2)[C@H](OCC)C1	ZINC001087099011	953268945	/nfs/dbraw/zinc/26/89/45/953268945.db2.gz	ZKVDHCIPGZUXCX-DUXKGJEZSA-N	1	0	370.493	1.700	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@@]3(C)C2)cc1	ZINC001091793919	953318238	/nfs/dbraw/zinc/31/82/38/953318238.db2.gz	RCFVABHLXQXMAR-KKVAFCGZSA-N	1	0	357.454	1.519	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@H]2C[N@@H+]([C@H](C)C(=O)NC)C[C@@]2(C)C1	ZINC001091793997	953318309	/nfs/dbraw/zinc/31/83/09/953318309.db2.gz	VZKIYGWZWPEPNG-ZOCZFRKYSA-N	1	0	371.481	1.780	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CCN1c1ccc(C#N)nc1	ZINC001091798725	953327028	/nfs/dbraw/zinc/32/70/28/953327028.db2.gz	JYJZXDPQYSGTRL-RBUKOAKNSA-N	1	0	371.485	1.538	20	30		FDEDRO
C[C@]12CN(C(=O)c3cn[nH]n3)C[C@H]1C[N@H+](CC#Cc1cccc(Cl)c1)C2	ZINC001091811380	953345475	/nfs/dbraw/zinc/34/54/75/953345475.db2.gz	BYAUWCOYZAPQKJ-BEFAXECRSA-N	1	0	369.856	1.904	20	30		FDEDRO
C[C@]12C[N@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@@]1(C)C(=O)NC2=O	ZINC001196833663	971932179	/nfs/dbraw/zinc/93/21/79/971932179.db2.gz	UCZDDYQPCMPPAW-HDICACEKSA-N	1	0	374.828	1.525	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cnoc3-c3cnn(C)c3)C[C@]2(C)C1	ZINC001091881398	953510084	/nfs/dbraw/zinc/51/00/84/953510084.db2.gz	GISOAWLALNNBPQ-BEFAXECRSA-N	1	0	353.426	1.492	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)C[C@]2(C)C1	ZINC001091881679	953510828	/nfs/dbraw/zinc/51/08/28/953510828.db2.gz	VADBRBKRKYGMLT-QRWLVFNGSA-N	1	0	369.469	1.691	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@@H]3CN(C(=O)C[NH+](CC)CC)C[C@@H]3C2)n1	ZINC001091854577	953544447	/nfs/dbraw/zinc/54/44/47/953544447.db2.gz	APFIIQFMLDMUGQ-CVEARBPZSA-N	1	0	370.501	1.537	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@@]2(C)C1	ZINC001091910796	953697006	/nfs/dbraw/zinc/69/70/06/953697006.db2.gz	HYXVXVJGGLCASV-HLIPFELVSA-N	1	0	360.502	1.627	20	30		FDEDRO
C[C@]12CN(C(=O)C3(C(N)=O)CC3)C[C@H]1C[N@H+](Cc1ccc(C#N)s1)C2	ZINC001091970899	953772786	/nfs/dbraw/zinc/77/27/86/953772786.db2.gz	IPRMYXATXINXDA-PXAZEXFGSA-N	1	0	358.467	1.166	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3C[N@@H+]([C@H](C)C(=O)NC4CC4)C[C@@]3(C)C2)c1	ZINC001091998013	953918069	/nfs/dbraw/zinc/91/80/69/953918069.db2.gz	SCSZPURLRLGSNZ-ZVGUJKQYSA-N	1	0	366.465	1.124	20	30		FDEDRO
CC[NH+](CC)[C@@H](C(=O)N[C@H]1CCN(c2cncc(C#N)n2)[C@@H]1C)C(C)C	ZINC001092000213	953926024	/nfs/dbraw/zinc/92/60/24/953926024.db2.gz	NSZOAECMCDWJBQ-UWWQBHOKSA-N	1	0	358.490	1.798	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CCN1c1ccc(C#N)cn1	ZINC001092004685	953940984	/nfs/dbraw/zinc/94/09/84/953940984.db2.gz	FMLLARIMZKXSNZ-PBHICJAKSA-N	1	0	357.458	1.147	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CCN1c1ccnc(C#N)n1	ZINC001092031809	953985675	/nfs/dbraw/zinc/98/56/75/953985675.db2.gz	QPRPYMGNPSVNGI-CABCVRRESA-N	1	0	356.474	1.696	20	30		FDEDRO
C[C@]12CN(C(=O)CCc3cn[nH]n3)C[C@H]1C[N@H+](Cc1ccc(C#N)s1)C2	ZINC001092028095	954121615	/nfs/dbraw/zinc/12/16/15/954121615.db2.gz	GEKVIYBGXPOAQL-ACJLOTCBSA-N	1	0	370.482	1.651	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3c(C)nnn3CC)C[C@@]2(C)C1	ZINC001092029648	954128672	/nfs/dbraw/zinc/12/86/72/954128672.db2.gz	ANILRLYQDGOZJI-HBXLWWENSA-N	1	0	373.501	1.478	20	30		FDEDRO
C[C@]12CN(C(=O)Cc3cnc[nH]3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1F)C2	ZINC001092052820	954147224	/nfs/dbraw/zinc/14/72/24/954147224.db2.gz	OFEGFBILYHSWPP-UZLBHIALSA-N	1	0	367.428	1.943	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3C[N@@H+](Cc4cnc(C)nc4)C[C@@]3(C)C2)nn1	ZINC001092080369	954227162	/nfs/dbraw/zinc/22/71/62/954227162.db2.gz	YWKLVMIAYKKZJC-APWZRJJASA-N	1	0	367.457	1.157	20	30		FDEDRO
Cn1ncc(C(=O)N2C[C@H]3C[N@H+](CC#Cc4ccc(F)cc4)C[C@@]3(C)C2)n1	ZINC001092096707	954283111	/nfs/dbraw/zinc/28/31/11/954283111.db2.gz	FOLQADXERAJKEB-UZLBHIALSA-N	1	0	367.428	1.400	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C3(S(C)(=O)=O)CCC3)C[C@]2(C)C1	ZINC001092155265	954407656	/nfs/dbraw/zinc/40/76/56/954407656.db2.gz	MBEFZKBQGGORNP-WBVHZDCISA-N	1	0	354.516	1.700	20	30		FDEDRO
CCn1cc(C(=O)N2C[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@@]3(C)C2)nn1	ZINC001092143179	954452007	/nfs/dbraw/zinc/45/20/07/954452007.db2.gz	AWSURODCWGNLEA-NQIIRXRSSA-N	1	0	363.465	1.744	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+]([C@H]4CCCN(C)C4=O)C[C@@]3(C)C2)nc1	ZINC001092211891	954621221	/nfs/dbraw/zinc/62/12/21/954621221.db2.gz	SMMUVBBAVMXOHF-MMOPVJDHSA-N	1	0	366.465	1.078	20	30		FDEDRO
C=C(Br)CN1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1	ZINC001092275414	954667307	/nfs/dbraw/zinc/66/73/07/954667307.db2.gz	AIKBUCTUGFZDBR-ZBFHGGJFSA-N	1	0	356.308	1.771	20	30		FDEDRO
CC[C@H](C(=O)N1C[C@H]2CN(c3cnc(C#N)cn3)C[C@@]2(C)C1)[NH+](CC)CC	ZINC001092307002	954774115	/nfs/dbraw/zinc/77/41/15/954774115.db2.gz	PBEOZYKLOJTFNF-MDYRTPRTSA-N	1	0	370.501	1.753	20	30		FDEDRO
Cn1cncc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1Nc1ccc(C#N)cn1	ZINC001092314456	954808864	/nfs/dbraw/zinc/80/88/64/954808864.db2.gz	JBNMHFXSCQJPME-HZPDHXFCSA-N	1	0	367.457	1.045	20	30		FDEDRO
C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCO[C@H]1C1CC1)c1nccn12	ZINC001092383568	954981276	/nfs/dbraw/zinc/98/12/76/954981276.db2.gz	ISKUPNXQIUWAKU-IKGGRYGDSA-N	1	0	356.470	1.846	20	30		FDEDRO
CC(C)[C@@H](C(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C)[NH+]1CCCC1	ZINC001092372926	955046116	/nfs/dbraw/zinc/04/61/16/955046116.db2.gz	NVAKELAFHUKGRQ-MDZRGWNJSA-N	1	0	370.501	1.657	20	30		FDEDRO
C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1OCCO[C@H]1C)c1nccn12	ZINC001092376001	955051568	/nfs/dbraw/zinc/05/15/68/955051568.db2.gz	NKBPIQAYCZMXEU-JYJNAYRXSA-N	1	0	360.458	1.225	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)c1cnn(C)c1	ZINC001092454823	955163304	/nfs/dbraw/zinc/16/33/04/955163304.db2.gz	PLKNEFJHEXVYIF-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)c1ccn[nH]1	ZINC001092476049	955221806	/nfs/dbraw/zinc/22/18/06/955221806.db2.gz	JEGYHIVZLXLNGP-GDBMZVCRSA-N	1	0	353.426	1.810	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)[C@H]1CCC(=O)N1	ZINC001092507596	955283148	/nfs/dbraw/zinc/28/31/48/955283148.db2.gz	IJGUPQNVKDPUEI-QGPMSJSTSA-N	1	0	370.453	1.052	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)c1nccnc1N	ZINC001092513914	955296551	/nfs/dbraw/zinc/29/65/51/955296551.db2.gz	PEUICUNUJPZLBA-CZUORRHYSA-N	1	0	350.426	1.428	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3ccncc3F)[C@H](C)C2)C1=O	ZINC001092518080	955302697	/nfs/dbraw/zinc/30/26/97/955302697.db2.gz	IYBNIUPQABVEQS-CKEIUWERSA-N	1	0	360.433	1.305	20	30		FDEDRO
Cc1cc(N2C[C@@H](C)[C@H](CCNC(=O)[C@H]3CC[N@H+](C)C3)C2)c(C#N)cn1	ZINC001092519760	955307523	/nfs/dbraw/zinc/30/75/23/955307523.db2.gz	ISSPWNZNXURHNE-OIISXLGYSA-N	1	0	355.486	1.792	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C	ZINC001092523834	955322519	/nfs/dbraw/zinc/32/25/19/955322519.db2.gz	OPWFMGIKUZDOOE-JFIYKMOQSA-N	1	0	370.501	1.801	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C	ZINC001092547837	955388208	/nfs/dbraw/zinc/38/82/08/955388208.db2.gz	LSWQSVNHIOZFDG-JFIYKMOQSA-N	1	0	370.501	1.800	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001092551417	955404489	/nfs/dbraw/zinc/40/44/89/955404489.db2.gz	CENQHTNDIUVVTN-OIISXLGYSA-N	1	0	368.485	1.269	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@@H]1COCCN1C	ZINC001092555938	955431023	/nfs/dbraw/zinc/43/10/23/955431023.db2.gz	VWKVWESNTMUGQA-LZQZEXGQSA-N	1	0	356.470	1.073	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1	ZINC001092533105	955501394	/nfs/dbraw/zinc/50/13/94/955501394.db2.gz	ZTQVCBWEDKEFOF-CRAIPNDOSA-N	1	0	355.486	1.874	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CCNC(=O)CCCC[NH+](C)C	ZINC001092535445	955511859	/nfs/dbraw/zinc/51/18/59/955511859.db2.gz	AQSYTCUKCNGGHM-HZPDHXFCSA-N	1	0	358.490	1.659	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CCNC(=O)C[NH+]1CCC(C)CC1	ZINC001092541036	955538187	/nfs/dbraw/zinc/53/81/87/955538187.db2.gz	WMUKEYCQGOEJJO-IAGOWNOFSA-N	1	0	370.501	1.659	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)c1cn(C)nn1	ZINC001092587596	955557206	/nfs/dbraw/zinc/55/72/06/955557206.db2.gz	IVZFKSLRBDJUCN-IUODEOHRSA-N	1	0	356.405	1.324	20	30		FDEDRO
CCc1nc(C#N)cc(NC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C)n1	ZINC001092650204	955797262	/nfs/dbraw/zinc/79/72/62/955797262.db2.gz	ZGKCVMQZCUIRHW-HUUCEWRRSA-N	1	0	358.490	1.757	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CCNc2cncc(C#N)n2)C1	ZINC001092623410	955865902	/nfs/dbraw/zinc/86/59/02/955865902.db2.gz	HZOPEMPPTZFHQN-HUUCEWRRSA-N	1	0	358.490	1.975	20	30		FDEDRO
CC(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1N(c1cncc(C#N)n1)CC2)[NH+](C)C	ZINC001092701104	956092710	/nfs/dbraw/zinc/09/27/10/956092710.db2.gz	TWODNKYXSCBOCF-IMFGXOCKSA-N	1	0	370.501	1.800	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)[C@H](C)C1	ZINC001092725417	956107137	/nfs/dbraw/zinc/10/71/37/956107137.db2.gz	JIOWJWVJTCUXRN-SYQHCUMBSA-N	1	0	350.381	1.593	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)c1cnc[nH]c1=O	ZINC001092711473	956145406	/nfs/dbraw/zinc/14/54/06/956145406.db2.gz	WXVJZHIFMDKDAJ-IUODEOHRSA-N	1	0	369.400	1.691	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@H](C)C1	ZINC001092723855	956187203	/nfs/dbraw/zinc/18/72/03/956187203.db2.gz	BQLKEBFKAKRNCD-BXUZGUMPSA-N	1	0	360.907	1.248	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2nc(C)c(C)o2)C[C@H]1C	ZINC001092688865	956194488	/nfs/dbraw/zinc/19/44/88/956194488.db2.gz	DQBUNCLNJWZQPV-OLMNPRSZSA-N	1	0	358.486	1.573	20	30		FDEDRO
C=CCOc1ccccc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1C	ZINC001092740780	956238089	/nfs/dbraw/zinc/23/80/89/956238089.db2.gz	SETJMGZXOGFSGX-HZPDHXFCSA-N	1	0	371.481	1.828	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@]2(C)CN(c3ccncc3C#N)CCO2)CC[N@@H+]1C	ZINC001092778867	956422472	/nfs/dbraw/zinc/42/24/72/956422472.db2.gz	KHPWQMJSBSXXAO-QKLQHJQFSA-N	1	0	371.485	1.395	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)c1cn(C)c(=O)cn1	ZINC001092841262	956466323	/nfs/dbraw/zinc/46/63/23/956466323.db2.gz	INAHOQKAQOSVDZ-RHSMWYFYSA-N	1	0	365.437	1.150	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3nc(C)nn3C2)[C@H](C)C1	ZINC001092849295	956493152	/nfs/dbraw/zinc/49/31/52/956493152.db2.gz	BBVKURQAANLDAZ-KCPJHIHWSA-N	1	0	351.882	1.586	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@@H]1CCC(=O)N1C	ZINC001092887293	956677082	/nfs/dbraw/zinc/67/70/82/956677082.db2.gz	KJZJOCKMHGUEJW-OLMNPRSZSA-N	1	0	354.454	1.363	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)[C@H](C)C1	ZINC001092857599	956709132	/nfs/dbraw/zinc/70/91/32/956709132.db2.gz	ICWCHKSXNBYCNA-NRSFXHEJSA-N	1	0	351.491	1.273	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1CCC(=O)N1C	ZINC001092887978	956740374	/nfs/dbraw/zinc/74/03/74/956740374.db2.gz	XPKDDWOVBSOFNW-QRQLOZEOSA-N	1	0	353.466	1.343	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CCN(C)C1=O	ZINC001092897251	956826302	/nfs/dbraw/zinc/82/63/02/956826302.db2.gz	IEMZTFDUQWVOPD-BHIYHBOVSA-N	1	0	353.466	1.201	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1C	ZINC001092978013	956976280	/nfs/dbraw/zinc/97/62/80/956976280.db2.gz	VADGVYRRFRGJGN-AHCXZYCDSA-N	1	0	363.502	1.320	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cc3n(n2)CCCC3)C[C@H]1C	ZINC001092982191	956988008	/nfs/dbraw/zinc/98/80/08/956988008.db2.gz	WLFJFZDXXQHTQQ-SMOSDQRPSA-N	1	0	372.513	1.995	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C#N)nc(CC)n1	ZINC001092997926	957094033	/nfs/dbraw/zinc/09/40/33/957094033.db2.gz	WMNJOZDFVFTBEV-OAGGEKHMSA-N	1	0	356.474	1.478	20	30		FDEDRO
C[NH+](C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncc(C#N)cc1F)C1CC1	ZINC001093022871	957158856	/nfs/dbraw/zinc/15/88/56/957158856.db2.gz	HLFMPIXLTLTDHO-MXASKKJJSA-N	1	0	357.433	1.658	20	30		FDEDRO
Cc1cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C3)c(C#N)cn1	ZINC001093023621	957161475	/nfs/dbraw/zinc/16/14/75/957161475.db2.gz	VTKXKUNAMAANQP-VXIBKDFQSA-N	1	0	353.470	1.828	20	30		FDEDRO
C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C#N)c(Cl)s1	ZINC001093044453	957208921	/nfs/dbraw/zinc/20/89/21/957208921.db2.gz	CJVMXXWTYQNYCP-FOGDFJRCSA-N	1	0	353.879	1.846	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](CCn3nc(C)cc3C)C[C@H]2C)nn1	ZINC001093035186	957252967	/nfs/dbraw/zinc/25/29/67/957252967.db2.gz	RCUXXABRFKEFAJ-RHSMWYFYSA-N	1	0	371.489	1.275	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1C	ZINC001093039640	957262647	/nfs/dbraw/zinc/26/26/47/957262647.db2.gz	SOTZAJHODQANLB-YSHGAJCASA-N	1	0	360.502	1.976	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3cncs3)C[C@H]2C)nn1	ZINC001093040078	957264069	/nfs/dbraw/zinc/26/40/69/957264069.db2.gz	HEVYASDTKGADKI-ZIAGYGMSSA-N	1	0	360.487	1.809	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1	ZINC001093057411	957276978	/nfs/dbraw/zinc/27/69/78/957276978.db2.gz	NUCVRSVKRYNDFH-VQHPVUNQSA-N	1	0	354.458	1.449	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N[C@]12CCC[C@H]1CN(c1ccc(C#N)nn1)C2	ZINC001093108748	957397640	/nfs/dbraw/zinc/39/76/40/957397640.db2.gz	WWUHJHANCOVLAG-KNBMTAEXSA-N	1	0	368.485	1.698	20	30		FDEDRO
C[N@H+](CC(=O)N[C@]12CCC[C@H]1CN(c1ccc(C#N)cn1)C2)C1CCC1	ZINC001093106369	957473886	/nfs/dbraw/zinc/47/38/86/957473886.db2.gz	NGDMSMQEYPJANQ-JXFKEZNVSA-N	1	0	353.470	1.913	20	30		FDEDRO
CC[C@H](C(=O)N[C@]12CCC[C@H]1CN(c1ncc(C#N)cc1F)C2)[NH+](C)C	ZINC001093091439	957535892	/nfs/dbraw/zinc/53/58/92/957535892.db2.gz	ZMCHJDDWYXWBBN-GMBSWORKSA-N	1	0	359.449	1.908	20	30		FDEDRO
CC(C)[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2ccncc2C#N)C1	ZINC001093114184	957552336	/nfs/dbraw/zinc/55/23/36/957552336.db2.gz	PESDEKUIUKJAFV-UKRRQHHQSA-N	1	0	369.391	1.517	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NC[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H]1C	ZINC001093118856	957569591	/nfs/dbraw/zinc/56/95/91/957569591.db2.gz	VKAJGXDBWSPDKT-HZPDHXFCSA-N	1	0	369.469	1.878	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N1C[C@@H]2CCC[C@]2(CNc2ccnc(C#N)n2)C1	ZINC001093124734	957589928	/nfs/dbraw/zinc/58/99/28/957589928.db2.gz	NGEAXNYDJOXXQK-JXFKEZNVSA-N	1	0	370.501	1.543	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N2C[C@@H]3CCC[C@]3(CNc3cncc(C#N)n3)C2)CC1	ZINC001093128219	957599843	/nfs/dbraw/zinc/59/98/43/957599843.db2.gz	CEHDEOWXPAQOCR-YWZLYKJASA-N	1	0	368.485	1.731	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)c3cc(CC)on3)[C@H](C)C2)C1=O	ZINC001093141888	957638285	/nfs/dbraw/zinc/63/82/85/957638285.db2.gz	WBUDJPWSHWCSDT-CKEIUWERSA-N	1	0	360.458	1.322	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)c3cc(CC)on3)[C@H](C)C2)C1=O	ZINC001093141890	957638578	/nfs/dbraw/zinc/63/85/78/957638578.db2.gz	WBUDJPWSHWCSDT-CPUCHLNUSA-N	1	0	360.458	1.322	20	30		FDEDRO
C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@]2(CNc2ccnc(C#N)n2)C1	ZINC001093129653	957670236	/nfs/dbraw/zinc/67/02/36/957670236.db2.gz	IALMAJFDQXAXKQ-KXBFYZLASA-N	1	0	356.474	1.153	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)c2ccccc2-n2cnnn2)[C@H](C)C1	ZINC001093188182	957808674	/nfs/dbraw/zinc/80/86/74/957808674.db2.gz	RMBSNILWJHLKMA-HZPDHXFCSA-N	1	0	354.458	1.926	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(Cc3cc(C)on3)C[C@H]2C)CC1	ZINC001093221666	957849292	/nfs/dbraw/zinc/84/92/92/957849292.db2.gz	BEJFNVJNBQJJMG-CRAIPNDOSA-N	1	0	358.486	1.512	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]21	ZINC000962015120	1013162206	/nfs/dbraw/zinc/16/22/06/1013162206.db2.gz	GLHFOKMRSUXRDI-APWQULEDSA-N	1	0	361.486	1.027	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)C3=CCOCC3)C[C@H]2C)C1=O	ZINC001093274967	957945910	/nfs/dbraw/zinc/94/59/10/957945910.db2.gz	URNHARKASXHNDL-KBAYOESNSA-N	1	0	361.486	1.194	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H]3CCN(CC)C3=O)C2)cn1	ZINC001093289535	957982620	/nfs/dbraw/zinc/98/26/20/957982620.db2.gz	SKAATNHJYATNSZ-SZVBFZGTSA-N	1	0	368.481	1.372	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3ccnc(C)n3)C[C@H]2C)C1=O	ZINC001093292799	957989567	/nfs/dbraw/zinc/98/95/67/957989567.db2.gz	YABONVAIPMWABN-OIISXLGYSA-N	1	0	371.485	1.260	20	30		FDEDRO
C=C(Cl)C[NH2+]C1CCC2(CC1)CN(C(=O)[C@]13C[C@H]1COC3)CCO2	ZINC001093399785	958037406	/nfs/dbraw/zinc/03/74/06/958037406.db2.gz	QLQNPRVJFLDNMJ-OBHHBEAMSA-N	1	0	354.878	1.905	20	30		FDEDRO
C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1OCCO[C@H]1C)CCO2	ZINC001093399499	958037943	/nfs/dbraw/zinc/03/79/43/958037943.db2.gz	GTENAQWSCPNQDQ-WPZCVXBKSA-N	1	0	352.475	1.496	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc(C(N)=O)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452363	958040131	/nfs/dbraw/zinc/04/01/31/958040131.db2.gz	HTADGSVRLZILNH-IKVWTGGYSA-N	1	0	371.481	1.551	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN3CCCC3=O)[C@H]2C(C)C)C[C@H]1O	ZINC001093432971	958059009	/nfs/dbraw/zinc/05/90/09/958059009.db2.gz	FHEYIBOQJVDZRE-YKCBXCCJSA-N	1	0	363.502	1.151	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCn3cccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093434064	958061290	/nfs/dbraw/zinc/06/12/90/958061290.db2.gz	LTQPZPKJJIEATG-JYBIWHBTSA-N	1	0	360.502	1.815	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cncnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093441759	958079062	/nfs/dbraw/zinc/07/90/62/958079062.db2.gz	ANFHMCAFXDUGOL-LFGUQSLTSA-N	1	0	358.486	1.561	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)C#CC2CC2)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cncn1C)C2	ZINC001093441835	958079122	/nfs/dbraw/zinc/07/91/22/958079122.db2.gz	BDKNKMYJMAUPHN-QCFAMHMHSA-N	1	0	370.497	1.300	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncc[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093443874	958086350	/nfs/dbraw/zinc/08/63/50/958086350.db2.gz	VQYJHOZQKMFZAB-VWPFQQQWSA-N	1	0	352.866	1.742	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3ccncn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093445447	958091245	/nfs/dbraw/zinc/09/12/45/958091245.db2.gz	CCXSJQJZPXPRMP-HNBVOPMISA-N	1	0	356.470	1.009	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(OC)ncn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093445882	958092966	/nfs/dbraw/zinc/09/29/66/958092966.db2.gz	DMJQPAGRQBPZCJ-RRIFGTCXSA-N	1	0	360.458	1.251	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nn(C)cc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093446763	958096097	/nfs/dbraw/zinc/09/60/97/958096097.db2.gz	LTORRLLSXHQZQE-HBXLWWENSA-N	1	0	360.502	1.884	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccn(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093447104	958098041	/nfs/dbraw/zinc/09/80/41/958098041.db2.gz	QUYGEWYALBJMJP-JYBIWHBTSA-N	1	0	360.502	1.505	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc(C4CC4)o3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093448736	958110616	/nfs/dbraw/zinc/11/06/16/958110616.db2.gz	BVTSEGXFTXAUPT-YVTWGWGSSA-N	1	0	357.454	1.765	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)C(N)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001093448797	958112073	/nfs/dbraw/zinc/11/20/73/958112073.db2.gz	COBMAGWDZOKIPA-CUYVQJCZSA-N	1	0	351.491	1.040	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)C(N)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001093448801	958112101	/nfs/dbraw/zinc/11/21/01/958112101.db2.gz	COBMAGWDZOKIPA-GPINWOSQSA-N	1	0	351.491	1.040	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnn3C(F)F)[C@H]2C(C)C)C[C@H]1O	ZINC001093450326	958122697	/nfs/dbraw/zinc/12/26/97/958122697.db2.gz	UHVBCQXYNNFFEH-TXPWEPMLSA-N	1	0	366.412	1.491	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc4n[nH]nc4n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093450511	958125535	/nfs/dbraw/zinc/12/55/35/958125535.db2.gz	VHPPLKOUASKSQB-YKTARERQSA-N	1	0	370.457	1.119	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3[nH]c(=O)[nH]c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093451848	958135899	/nfs/dbraw/zinc/13/58/99/958135899.db2.gz	ZGEHENQPGUTBTD-UMHPPVOVSA-N	1	0	362.474	1.580	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc4n3CCCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093460098	958187850	/nfs/dbraw/zinc/18/78/50/958187850.db2.gz	PDOJGMJGUJODJQ-STQYRHOTSA-N	1	0	370.497	1.432	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3ccc(=O)[nH]c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093460229	958189348	/nfs/dbraw/zinc/18/93/48/958189348.db2.gz	QWAAIXVDPTZUQS-DGQTTZFYSA-N	1	0	371.481	1.319	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ncccc3OC)[C@H]2C(C)C)C[C@H]1O	ZINC001093463706	958196716	/nfs/dbraw/zinc/19/67/16/958196716.db2.gz	YGAQFYFAVMJCDA-SGLNWRHMSA-N	1	0	371.481	1.232	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CC=C)C3)[C@@H]2C(C)C)c1	ZINC001093464084	958197894	/nfs/dbraw/zinc/19/78/94/958197894.db2.gz	BYEGBHVNVUEPGM-BNDYYXHWSA-N	1	0	353.466	1.829	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CCF)C3)[C@H]2C(C)C)c1	ZINC001093464113	958198011	/nfs/dbraw/zinc/19/80/11/958198011.db2.gz	CFNPGJRMAMINSO-SOAMZJECSA-N	1	0	359.445	1.612	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nccn4ccnc34)[C@H]2C(C)C)C[C@H]1O	ZINC001093464568	958200754	/nfs/dbraw/zinc/20/07/54/958200754.db2.gz	CJHCZBLGLZENJY-RNKNFESXSA-N	1	0	369.469	1.495	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cc(Cl)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093465264	958202737	/nfs/dbraw/zinc/20/27/37/958202737.db2.gz	IXLIYQVDSHXWHX-LMSBXDPUSA-N	1	0	366.893	1.689	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CCF)C3)[C@H]2C(C)C)nn1	ZINC001093466156	958208053	/nfs/dbraw/zinc/20/80/53/958208053.db2.gz	LYHKSCLURJTJOD-GFOCRRMGSA-N	1	0	365.453	1.013	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncc(OC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093466573	958209840	/nfs/dbraw/zinc/20/98/40/958209840.db2.gz	NYWWJNGMJBMVKQ-LRCYWBKYSA-N	1	0	360.458	1.251	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3ccc(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093466727	958211493	/nfs/dbraw/zinc/21/14/93/958211493.db2.gz	PFKHDPYQZUCSBN-JYBIWHBTSA-N	1	0	360.502	1.734	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C(C)C)nn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093469543	958222159	/nfs/dbraw/zinc/22/21/59/958222159.db2.gz	HHCDZRTWDVBBOT-VYCZESIESA-N	1	0	359.474	1.072	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(CC)CCOCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093470015	958225725	/nfs/dbraw/zinc/22/57/25/958225725.db2.gz	OUEFZXUUICNZKM-NEYJZJCJSA-N	1	0	362.514	1.793	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)C[NH+]2CCC(C)CC2)C[C@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001093470221	958226814	/nfs/dbraw/zinc/22/68/14/958226814.db2.gz	RHJPGOAIKPDEHN-LFGUQSLTSA-N	1	0	362.518	1.208	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3[nH]cnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093471730	958235619	/nfs/dbraw/zinc/23/56/19/958235619.db2.gz	GKKXGFADZWSWRP-JYBIWHBTSA-N	1	0	360.502	1.803	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc4ncccn4n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093472358	958237883	/nfs/dbraw/zinc/23/78/83/958237883.db2.gz	KNFZZEMWRWTHDZ-HBXLWWENSA-N	1	0	369.469	1.495	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cnn(CC)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093472825	958241906	/nfs/dbraw/zinc/24/19/06/958241906.db2.gz	NYLRQMHASMYKAC-IZBJGVDFSA-N	1	0	360.502	1.598	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3cnccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093474517	958248404	/nfs/dbraw/zinc/24/84/04/958248404.db2.gz	VRRQLJVDRUAJAN-IZBJGVDFSA-N	1	0	356.470	1.009	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccccc3C#C)[C@H]2C(C)C)C[C@H]1O	ZINC001093474667	958250103	/nfs/dbraw/zinc/25/01/03/958250103.db2.gz	UAPJWRXCARPQJT-YXPKMTABSA-N	1	0	364.489	1.810	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3coc(OCC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093453021	958260049	/nfs/dbraw/zinc/26/00/49/958260049.db2.gz	SCTBGJNUJNLRLA-ZIGSKRJUSA-N	1	0	363.458	1.839	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnc(OC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093456935	958278767	/nfs/dbraw/zinc/27/87/67/958278767.db2.gz	HFGBZZJHVFDLKT-YKTARERQSA-N	1	0	360.458	1.251	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn4cccnc34)[C@H]2C(C)C)C[C@H]1O	ZINC001093458386	958282815	/nfs/dbraw/zinc/28/28/15/958282815.db2.gz	CSELSAKOZSLZOL-PDOICOKGSA-N	1	0	369.469	1.495	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3cncc(C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093458725	958285725	/nfs/dbraw/zinc/28/57/25/958285725.db2.gz	OVJLIKCWMGJTNT-KRXUUXHPSA-N	1	0	369.509	1.922	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COc3ccc(C)cc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093478481	958292747	/nfs/dbraw/zinc/29/27/47/958292747.db2.gz	QSIPGIDUOIBWSG-CZAYHTPWSA-N	1	0	370.493	1.973	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3ccnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093479503	958298905	/nfs/dbraw/zinc/29/89/05/958298905.db2.gz	KHFAOQBTWRMHKN-XYVMCAHJSA-N	1	0	366.893	1.602	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cccc(F)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093479948	958301209	/nfs/dbraw/zinc/30/12/09/958301209.db2.gz	WEXKVWHNJHFCNQ-UKAVVXHISA-N	1	0	358.457	1.968	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C)nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093480977	958306393	/nfs/dbraw/zinc/30/63/93/958306393.db2.gz	QYCKQXREJRLUOS-WERVVEIQSA-N	1	0	355.482	1.911	20	30		FDEDRO
C#CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@@H]2CCCO[C@H]2C=C)CC1	ZINC001093487588	958309879	/nfs/dbraw/zinc/30/98/79/958309879.db2.gz	JBDAFVXKZHGVRY-MHTWAQMVSA-N	1	0	371.525	1.740	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001093621236	958353346	/nfs/dbraw/zinc/35/33/46/958353346.db2.gz	HKJZVVYNLQBNFR-CZUORRHYSA-N	1	0	359.401	1.770	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001093621387	958353804	/nfs/dbraw/zinc/35/38/04/958353804.db2.gz	MTHZDQIHENZQNO-CZUORRHYSA-N	1	0	359.401	1.770	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001093635170	958398753	/nfs/dbraw/zinc/39/87/53/958398753.db2.gz	RLVZDHVPHNFJIE-SJLPKXTDSA-N	1	0	367.453	1.670	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1C	ZINC001093666500	958467145	/nfs/dbraw/zinc/46/71/45/958467145.db2.gz	NDFXYRHPMHZZGC-RHSMWYFYSA-N	1	0	367.453	1.798	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3cnc(C)s3)C[C@H]2C)C1=O	ZINC001093669303	958473056	/nfs/dbraw/zinc/47/30/56/958473056.db2.gz	WIKXBOHINPEXMM-BPLDGKMQSA-N	1	0	362.499	1.536	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093682108	958486048	/nfs/dbraw/zinc/48/60/48/958486048.db2.gz	CZQJBJCMRYLKKD-CZUORRHYSA-N	1	0	350.426	1.428	20	30		FDEDRO
CCc1nnc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)o1	ZINC001093722655	958599728	/nfs/dbraw/zinc/59/97/28/958599728.db2.gz	YSNTVFBNQRCOQB-JHJVBQTASA-N	1	0	356.430	1.891	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2C#N)[C@H](C)C1)n1cncn1	ZINC001093725702	958609307	/nfs/dbraw/zinc/60/93/07/958609307.db2.gz	ZWIVMWNCNOUFOU-CKEIUWERSA-N	1	0	370.432	1.734	20	30		FDEDRO
CCn1nc(C)c(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)n1	ZINC001093726103	958612756	/nfs/dbraw/zinc/61/27/56/958612756.db2.gz	PDVXXYHCIBLTHN-IUODEOHRSA-N	1	0	355.446	1.304	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cncnc2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001093731038	958627344	/nfs/dbraw/zinc/62/73/44/958627344.db2.gz	DUSORSLVWWDNJS-CXAGYDPISA-N	1	0	353.401	1.985	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093739582	958653528	/nfs/dbraw/zinc/65/35/28/958653528.db2.gz	OCTFKEVHMHCPLH-CZUORRHYSA-N	1	0	354.410	1.348	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3cc[nH]c3CC)C[C@H]2C)C1=O	ZINC001093750963	958674560	/nfs/dbraw/zinc/67/45/60/958674560.db2.gz	CVIXFPSRBFBSGJ-IIDMSEBBSA-N	1	0	358.486	1.662	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1nnc(-c2ccco2)o1	ZINC001093762039	958700877	/nfs/dbraw/zinc/70/08/77/958700877.db2.gz	KHLNJLNCHOOBIN-UKRRQHHQSA-N	1	0	354.410	1.927	20	30		FDEDRO
C#C[C@@H](NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCCO1	ZINC000773219052	958800057	/nfs/dbraw/zinc/80/00/57/958800057.db2.gz	RJNUFLLNZHKYTO-UXHICEINSA-N	1	0	370.497	1.679	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001093838941	958946237	/nfs/dbraw/zinc/94/62/37/958946237.db2.gz	RPWYLIYAEQTZQC-IUODEOHRSA-N	1	0	360.433	1.393	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1)S(C)(=O)=O	ZINC001093867577	959047121	/nfs/dbraw/zinc/04/71/21/959047121.db2.gz	UBFDVXQHJDNPCO-CKEIUWERSA-N	1	0	363.483	1.175	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cncn2C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001093893921	959247574	/nfs/dbraw/zinc/24/75/74/959247574.db2.gz	ABJZPRHXNJQMTH-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3cncn3C)C[C@H]2C)cc1C#N	ZINC001093894552	959251272	/nfs/dbraw/zinc/25/12/72/959251272.db2.gz	XTGSJERUOZQWSB-RHSMWYFYSA-N	1	0	367.453	1.798	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC2CCS(=O)(=O)CC2)[C@H](C)C1	ZINC001093965844	959375975	/nfs/dbraw/zinc/37/59/75/959375975.db2.gz	UJFQJWMUDXAPSO-GDBMZVCRSA-N	1	0	356.532	1.708	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093936094	959394027	/nfs/dbraw/zinc/39/40/27/959394027.db2.gz	AWQKWGXBHMHHFS-ZTQAJYAQSA-N	1	0	354.454	1.269	20	30		FDEDRO
Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1	ZINC001093984693	959418463	/nfs/dbraw/zinc/41/84/63/959418463.db2.gz	CPBGMGRZICXIEM-CXAGYDPISA-N	1	0	365.437	1.860	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093972591	959516100	/nfs/dbraw/zinc/51/61/00/959516100.db2.gz	XLYQVLZPIISQPD-OLMNPRSZSA-N	1	0	354.454	1.363	20	30		FDEDRO
Cc1ccnn1CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1	ZINC001094078985	959717044	/nfs/dbraw/zinc/71/70/44/959717044.db2.gz	MAQMDFFQBOKQGC-DNVCBOLYSA-N	1	0	351.454	1.948	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nnc(C)[nH]3)[C@H](C)C2)cc1	ZINC001094094573	959767383	/nfs/dbraw/zinc/76/73/83/959767383.db2.gz	ONNPRCFXQLBEOY-RHSMWYFYSA-N	1	0	367.453	1.623	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3cc(C4CC4)no3)[C@H](C)C2)nn1	ZINC001094095099	959770762	/nfs/dbraw/zinc/77/07/62/959770762.db2.gz	FOYJLRPRGYHKMA-UKRRQHHQSA-N	1	0	370.457	1.827	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ncc(C)cn3)[C@H](C)C2)nn1	ZINC001094095038	959770813	/nfs/dbraw/zinc/77/08/13/959770813.db2.gz	AZQAXOUUSOGUOG-HUUCEWRRSA-N	1	0	355.446	1.060	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3ncccc3F)C[C@H]2C)C1=O	ZINC001094131371	959851026	/nfs/dbraw/zinc/85/10/26/959851026.db2.gz	FBAFQDORLQPILH-IIAWOOMASA-N	1	0	360.433	1.305	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnc(CC)o2)[C@H](C)C1	ZINC001094103550	959884904	/nfs/dbraw/zinc/88/49/04/959884904.db2.gz	VRRWWTXATYAOAK-BSXFFOKHSA-N	1	0	362.474	1.797	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3cc4c([nH]3)CCC4)C[C@H]2C)C1=O	ZINC001094160155	959935332	/nfs/dbraw/zinc/93/53/32/959935332.db2.gz	ZLHIKJKXDVEQEA-QGPMSJSTSA-N	1	0	370.497	1.588	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nnnn3C(C)C)[C@H](C)C2)cn1	ZINC001094174293	959977173	/nfs/dbraw/zinc/97/71/73/959977173.db2.gz	DMDHKWDUDVZCMV-GDBMZVCRSA-N	1	0	367.457	1.128	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nc(C4CC4)no3)[C@H](C)C2)cn1	ZINC001094174291	959977426	/nfs/dbraw/zinc/97/74/26/959977426.db2.gz	DHXZECQQJYETID-CZUORRHYSA-N	1	0	365.437	1.821	20	30		FDEDRO
Cc1ccc(C#N)c(NCCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)n1	ZINC001094179525	959988927	/nfs/dbraw/zinc/98/89/27/959988927.db2.gz	QYPLKLAJGOJSLG-MSOLQXFVSA-N	1	0	371.485	1.537	20	30		FDEDRO
Cc1nonc1CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1	ZINC001094142049	959997484	/nfs/dbraw/zinc/99/74/84/959997484.db2.gz	GFTWSERDSRIOSA-CXAGYDPISA-N	1	0	353.426	1.677	20	30		FDEDRO
COc1c(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)cc3)[C@H](C)C2)cnn1C	ZINC001094191026	960078038	/nfs/dbraw/zinc/07/80/38/960078038.db2.gz	FQDFSOYYARVUQZ-RHSMWYFYSA-N	1	0	367.453	1.798	20	30		FDEDRO
C=C[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2cnn(C)n2)[C@H](C)C1)c1ccccc1	ZINC001094237188	960148733	/nfs/dbraw/zinc/14/87/33/960148733.db2.gz	YCESNEUCHYXRDD-SZVBFZGTSA-N	1	0	353.470	1.969	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001094254916	960227442	/nfs/dbraw/zinc/22/74/42/960227442.db2.gz	WQXRDWJKNYFFMK-RHSMWYFYSA-N	1	0	355.417	1.778	20	30		FDEDRO
Cc1nonc1C(=O)N1C[C@@H](C[NH2+]Cc2cc(C#N)ccc2F)[C@H](C)C1	ZINC001094255602	960228749	/nfs/dbraw/zinc/22/87/49/960228749.db2.gz	PCUOAAOTSCOKBQ-IAQYHMDHSA-N	1	0	357.389	1.887	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@]3(CNC(=O)c4ccon4)CCC[C@@H]23)C1=O	ZINC001094370857	960287510	/nfs/dbraw/zinc/28/75/10/960287510.db2.gz	UPUQRNXHJFKYAV-FRQCXROJSA-N	1	0	358.442	1.436	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@H]4COCCO4)CCC[C@@H]23)cc1	ZINC001094368752	960329071	/nfs/dbraw/zinc/32/90/71/960329071.db2.gz	XTKSINHJACCAGN-SFHLNBCPSA-N	1	0	369.465	1.834	20	30		FDEDRO
Cn1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)c4cc(C#N)c[nH]4)CCC[C@@H]23)n1	ZINC001094387521	960333026	/nfs/dbraw/zinc/33/30/26/960333026.db2.gz	PTFAWLLGHOUXJP-IEBWSBKVSA-N	1	0	352.442	1.794	20	30		FDEDRO
CCCC[C@H](CNc1ccnc(C#N)n1)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001114325087	972499100	/nfs/dbraw/zinc/49/91/00/972499100.db2.gz	PCHXWARFZJVHAV-OWCLPIDISA-N	1	0	358.490	1.587	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@]3(CNC(=O)c4ncc[nH]4)CCC[C@@H]23)C1=O	ZINC001094409925	960392731	/nfs/dbraw/zinc/39/27/31/960392731.db2.gz	QGCMKDNGWAHYKH-SPYBWZPUSA-N	1	0	357.458	1.171	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cn([C@H]4CCOC4)nc3C)CCC[C@@H]12	ZINC001094416535	960407687	/nfs/dbraw/zinc/40/76/87/960407687.db2.gz	YPBIDMVQUMMEKJ-ILZDJORESA-N	1	0	356.470	1.761	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC(=O)N(CC(C)C)C3)CCC[C@@H]12	ZINC001094427056	960429236	/nfs/dbraw/zinc/42/92/36/960429236.db2.gz	FOFHYTHFXHRGLL-DBXWQHBBSA-N	1	0	359.514	1.875	20	30		FDEDRO
C#C[C@@H](NCC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)[C@@H]1CCCO1	ZINC000775789307	972502881	/nfs/dbraw/zinc/50/28/81/972502881.db2.gz	CPFNGVBGZJQPES-RTWAWAEBSA-N	1	0	369.509	1.800	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4ccc(OC)nn43)CCC[C@@H]12	ZINC001094450055	960523043	/nfs/dbraw/zinc/52/30/43/960523043.db2.gz	BKOXSRWQGZLHCE-OXQOHEQNSA-N	1	0	367.453	1.736	20	30		FDEDRO
CCOC(=O)COc1cc(Cl)c(Nc2nccnc2C[NH3+])nc1C#N	ZINC001171444909	960546554	/nfs/dbraw/zinc/54/65/54/960546554.db2.gz	SYXIRLXRCFNTGZ-UHFFFAOYSA-N	1	0	362.777	1.541	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCN(CC(F)(F)F)C3)CCC[C@@H]12	ZINC001094496812	960611138	/nfs/dbraw/zinc/61/11/38/960611138.db2.gz	JCUXFHGOECILFF-BFYDXBDKSA-N	1	0	357.420	1.865	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[C@H]3C(=O)N(C)C)CCC[C@@H]12	ZINC001094511139	960693228	/nfs/dbraw/zinc/69/32/28/960693228.db2.gz	IQLOYNNXODDAMX-LUXYFRNMSA-N	1	0	353.894	1.824	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cn(C[C@H]4CCOC4)nn3)CCC[C@@H]12	ZINC001094548097	960738000	/nfs/dbraw/zinc/73/80/00/960738000.db2.gz	OFGIPZZCNQCRGG-YVWKXTFCSA-N	1	0	371.485	1.312	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cn4nc(C)cc4[nH]c3=O)CCC[C@@H]12	ZINC001094537417	960759627	/nfs/dbraw/zinc/75/96/27/960759627.db2.gz	XCNUDIASPLDHCW-OXQOHEQNSA-N	1	0	369.469	1.882	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)N(C)C)CC3)nc1	ZINC001094563371	960819651	/nfs/dbraw/zinc/81/96/51/960819651.db2.gz	RYIOAIMJZSIKQG-YLJYHZDGSA-N	1	0	354.454	1.126	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccccc3-n3cnnn3)CCC[C@@H]12	ZINC001094575856	960858082	/nfs/dbraw/zinc/85/80/82/960858082.db2.gz	HYCXVEKPFQTURR-IEBWSBKVSA-N	1	0	352.442	1.823	20	30		FDEDRO
COC(=O)C1(Nc2ncc(C#N)cn2)CC[NH+](Cc2ccccc2)CC1	ZINC001171503801	961208517	/nfs/dbraw/zinc/20/85/17/961208517.db2.gz	OGROLPAUASJGPT-UHFFFAOYSA-N	1	0	351.410	1.968	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1C1CCOCC1	ZINC001171777931	961296004	/nfs/dbraw/zinc/29/60/04/961296004.db2.gz	APKAXRRQUPJJOM-BPQIPLTHSA-N	1	0	363.502	1.063	20	30		FDEDRO
C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](C1C[C@@H]3COC[C@H](C1)N3C)C2	ZINC001172136622	961478423	/nfs/dbraw/zinc/47/84/23/961478423.db2.gz	FLADYAGMJDXQAH-DGDSNLKDSA-N	1	0	350.503	1.922	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC(=O)NCC(=O)OCc1ccccc1	ZINC001172302925	961615178	/nfs/dbraw/zinc/61/51/78/961615178.db2.gz	SPSKMCKVTXUYNG-MRXNPFEDSA-N	1	0	365.433	1.938	20	30		FDEDRO
C[C@H](CCCC#N)[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)c3ccnnc3)[C@H]2C1	ZINC001172497952	961688443	/nfs/dbraw/zinc/68/84/43/961688443.db2.gz	HNWKMCCTYAJOQU-LAVFITLUSA-N	1	0	357.458	1.626	20	30		FDEDRO
CCCCCCC[C@H](CCC)[NH2+]CCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC001172509525	961689519	/nfs/dbraw/zinc/68/95/19/961689519.db2.gz	YPXBFHUGFPTQOA-DTXAGUPXSA-N	1	0	361.523	1.949	20	30		FDEDRO
C#CCN(C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1	ZINC000774172408	961803144	/nfs/dbraw/zinc/80/31/44/961803144.db2.gz	XLOOTNGLFJKKIR-HRCADAONSA-N	1	0	355.504	1.081	20	30		FDEDRO
CN(C(=O)CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C1CC1	ZINC001172967308	961854157	/nfs/dbraw/zinc/85/41/57/961854157.db2.gz	VQRKCIAEIMHSOC-HIFRSBDPSA-N	1	0	350.463	1.879	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)C[C@H]1C#N	ZINC001172968560	961854574	/nfs/dbraw/zinc/85/45/74/961854574.db2.gz	MGBKELJURYVLQJ-YIYPIFLZSA-N	1	0	357.476	1.443	20	30		FDEDRO
C[N@H+](CCN1CCOCC1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1	ZINC001172980305	961864824	/nfs/dbraw/zinc/86/48/24/961864824.db2.gz	MHIKQBYMUNKFJD-HOTGVXAUSA-N	1	0	352.479	1.542	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H](N(c2ncccn2)C2C[NH2+]C2)C[C@H]1C#N	ZINC001172990518	961871361	/nfs/dbraw/zinc/87/13/61/961871361.db2.gz	PBPHOLCXEDDYOZ-KGLIPLIRSA-N	1	0	358.446	1.546	20	30		FDEDRO
CCCCCCCCC[C@H](CCC)[NH2+]CC(=O)NCC(=O)NCC(N)=O	ZINC001173284341	962000360	/nfs/dbraw/zinc/00/03/60/962000360.db2.gz	FOFKIPCQQDLQOK-INIZCTEOSA-N	1	0	370.538	1.603	20	30		FDEDRO
C[C@H]1COCCN1CC[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1	ZINC001173424505	962126906	/nfs/dbraw/zinc/12/69/06/962126906.db2.gz	HSGGUBHXZUJRLY-INIZCTEOSA-N	1	0	356.470	1.473	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCCN(C4COC4)C3)CC2)cc1	ZINC001173425823	962134073	/nfs/dbraw/zinc/13/40/73/962134073.db2.gz	JSRAFFJTJGSASE-LJQANCHMSA-N	1	0	368.481	1.616	20	30		FDEDRO
CCOC(=O)CC1([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)COC1	ZINC001173426106	962135869	/nfs/dbraw/zinc/13/58/69/962135869.db2.gz	ORMDIBGVUZVAGX-UHFFFAOYSA-N	1	0	371.437	1.475	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([N@@H+]3CCN4C(=O)OC[C@H]4C3)CC2)cc1	ZINC001173433701	962154782	/nfs/dbraw/zinc/15/47/82/962154782.db2.gz	VDASVGAJOVSRAB-QGZVFWFLSA-N	1	0	354.410	1.299	20	30		FDEDRO
CC(=O)N1CC[N@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)[C@@H](C)C1	ZINC001173434660	962157249	/nfs/dbraw/zinc/15/72/49/962157249.db2.gz	PPYZSZVVHSEDAA-HNNXBMFYSA-N	1	0	354.454	1.715	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C	ZINC001182599239	962352853	/nfs/dbraw/zinc/35/28/53/962352853.db2.gz	SLBDUVVSVMODPX-AXVVYFOYSA-N	1	0	365.518	1.840	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001182692061	962442898	/nfs/dbraw/zinc/44/28/98/962442898.db2.gz	AOVUEYWCSDGEIP-FGTMMUONSA-N	1	0	362.518	1.108	20	30		FDEDRO
CN(C)C(=O)Cn1cc2c(n1)[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)OCC2	ZINC001173586604	962463175	/nfs/dbraw/zinc/46/31/75/962463175.db2.gz	CGFRFDIQSJEUQH-KOHRHEQBSA-N	1	0	359.474	1.647	20	30		FDEDRO
C[C@H]1CN(O)C(=O)[C@H]1[NH2+]C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1	ZINC001173776932	962682349	/nfs/dbraw/zinc/68/23/49/962682349.db2.gz	AYNYITSVYVLUAP-BONVTDFDSA-N	1	0	369.824	1.909	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1Cc2nccn2C[C@@H](COCC2CC2)C1	ZINC001183042700	962754693	/nfs/dbraw/zinc/75/46/93/962754693.db2.gz	ATFBKSUBPNABEU-GOSISDBHSA-N	1	0	358.486	1.920	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1Cc2nccn2C[C@H](COCC2CC2)C1	ZINC001183042701	962754970	/nfs/dbraw/zinc/75/49/70/962754970.db2.gz	ATFBKSUBPNABEU-SFHVURJKSA-N	1	0	358.486	1.920	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CC[C@]2(C[C@H]2C(=O)NCc2cccnc2)C1	ZINC001183043203	962755078	/nfs/dbraw/zinc/75/50/78/962755078.db2.gz	MORBRYHHNWVARX-RXVVDRJESA-N	1	0	368.481	1.588	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCN2CCCC2=O)c1	ZINC001095285441	962768857	/nfs/dbraw/zinc/76/88/57/962768857.db2.gz	NSENXURVJBLQAM-VYDXJSESSA-N	1	0	355.442	1.234	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)Nc1cc(N2CCOCC2)ccc1C(=O)OC	ZINC001183076042	962778200	/nfs/dbraw/zinc/77/82/00/962778200.db2.gz	ODVJJLKZEUQYDW-UHFFFAOYSA-N	1	0	373.453	1.900	20	30		FDEDRO
C[N@@H+]1CCc2c(C#N)c(Nc3cnn(CCN4CCOCC4)c3)sc2C1	ZINC001174489669	962858212	/nfs/dbraw/zinc/85/82/12/962858212.db2.gz	NIFSMMZDYFVKJN-UHFFFAOYSA-N	1	0	372.498	1.880	20	30		FDEDRO
C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1	ZINC001175235993	963103125	/nfs/dbraw/zinc/10/31/25/963103125.db2.gz	HXCKIGQWHNVUBB-OKZBNKHCSA-N	1	0	365.518	1.997	20	30		FDEDRO
CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1	ZINC001175238153	963104779	/nfs/dbraw/zinc/10/47/79/963104779.db2.gz	WNCNNHBUBMYFRE-OKZBNKHCSA-N	1	0	363.502	1.444	20	30		FDEDRO
C[C@@H](CCCC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)[C@H]1C[C@H]1C(N)=O	ZINC001175287895	963123422	/nfs/dbraw/zinc/12/34/22/963123422.db2.gz	HPMWQQFEBUSVFR-MAZHCROVSA-N	1	0	360.433	1.583	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cncn1C	ZINC001175360092	963165816	/nfs/dbraw/zinc/16/58/16/963165816.db2.gz	YEZCZWQSYVPCJA-BZUAXINKSA-N	1	0	361.490	1.090	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1cncc(OC)n1	ZINC001175365442	963169702	/nfs/dbraw/zinc/16/97/02/963169702.db2.gz	LFKPPVGZWAYIEG-UAGQMJEPSA-N	1	0	362.474	1.841	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NCC#N	ZINC001175630512	963242373	/nfs/dbraw/zinc/24/23/73/963242373.db2.gz	QFTGKNLGDZLJKZ-BQFCYCMXSA-N	1	0	364.490	1.262	20	30		FDEDRO
CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CN(c4cccc(C#N)c4)C(=O)O3)C[C@H]2C1	ZINC001184382575	963569610	/nfs/dbraw/zinc/56/96/10/963569610.db2.gz	XCTLVTANIQJLRH-SOLBZPMBSA-N	1	0	368.437	1.684	20	30		FDEDRO
C=C[C@H]1C[C@@]1(NC(=O)C1CC[NH+](Cc2ccccn2)CC1)C(=O)OCC	ZINC001177214558	963707850	/nfs/dbraw/zinc/70/78/50/963707850.db2.gz	NELLYTKMMUDHGV-JXFKEZNVSA-N	1	0	357.454	1.918	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2ccc(C)cc2)C1	ZINC001185759132	964089826	/nfs/dbraw/zinc/08/98/26/964089826.db2.gz	OLTKXVHGZVCUKG-KURKYZTESA-N	1	0	357.454	1.715	20	30		FDEDRO
CC[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#Cc2ccccc2)C1	ZINC001185759059	964090612	/nfs/dbraw/zinc/09/06/12/964090612.db2.gz	NEEYJNQHGLVVDA-GUDVDZBRSA-N	1	0	353.466	1.391	20	30		FDEDRO
C#CCC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)nn1	ZINC001185952914	964213426	/nfs/dbraw/zinc/21/34/26/964213426.db2.gz	CBLLRLUFEFJYKK-GVDBMIGSSA-N	1	0	367.457	1.081	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCCCCCC[NH2+][C@@H]1CCCN(C)C1=O	ZINC001178509820	964263651	/nfs/dbraw/zinc/26/36/51/964263651.db2.gz	XBKHVMVUOOPKRF-KURKYZTESA-N	1	0	365.518	1.855	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]CCCCCCNC(=O)[C@]12C[C@H]1COC2	ZINC001178532039	964283021	/nfs/dbraw/zinc/28/30/21/964283021.db2.gz	ZZZUZKMYRWWRGA-PXNSSMCTSA-N	1	0	365.518	1.714	20	30		FDEDRO
CCOC(=O)CC1([NH3+])CCN(C(=O)C#Cc2ccc(F)cc2F)CC1	ZINC001178574713	964307124	/nfs/dbraw/zinc/30/71/24/964307124.db2.gz	YQNPFNWMFZXHJB-UHFFFAOYSA-N	1	0	350.365	1.589	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CNC(=O)NC)C1	ZINC001186188941	964338781	/nfs/dbraw/zinc/33/87/81/964338781.db2.gz	GCICHVSTHIKOQL-NVXWUHKLSA-N	1	0	362.449	1.462	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@H](O)CN(C(=O)OC(C)(C)C)C1	ZINC001178665109	964350544	/nfs/dbraw/zinc/35/05/44/964350544.db2.gz	BWRKWXAWJPAMFE-JYJNAYRXSA-N	1	0	367.490	1.371	20	30		FDEDRO
C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)C[C@@H]1C[C@H]1c1ccccc1	ZINC001178719149	964396702	/nfs/dbraw/zinc/39/67/02/964396702.db2.gz	SRMOTIPQQGXIRI-DKIMLUQUSA-N	1	0	354.454	1.399	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@H]1CCN(c2ccn(C)n2)C1=O	ZINC001110379120	964419641	/nfs/dbraw/zinc/41/96/41/964419641.db2.gz	WYTCUCBENXSPFC-WCVJEAGWSA-N	1	0	357.458	1.213	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccnn2C)CC12CCOCC2	ZINC001186434593	964509181	/nfs/dbraw/zinc/50/91/81/964509181.db2.gz	VPPVEXDFGXNPCJ-KZNAEPCWSA-N	1	0	370.497	1.392	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)cc1	ZINC000957567096	1013502194	/nfs/dbraw/zinc/50/21/94/1013502194.db2.gz	GNGDPMBNAFPLTE-UIAACRFSSA-N	1	0	365.477	1.586	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CCCCCCNC(=O)[C@@H]2CCO[C@H]2CC)C1=O	ZINC001179089678	964712513	/nfs/dbraw/zinc/71/25/13/964712513.db2.gz	HQRWPKKYGDSEAF-KURKYZTESA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CSC(C)C)[C@@H]3C2)C1=O	ZINC001186898651	964819342	/nfs/dbraw/zinc/81/93/42/964819342.db2.gz	HTKPAEULQQUURP-ARFHVFGLSA-N	1	0	351.516	1.448	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ccc(C(=O)NC)cc2)C1	ZINC000962322128	1013532036	/nfs/dbraw/zinc/53/20/36/1013532036.db2.gz	RXJMMTVBKUJZGA-AWRGBYNESA-N	1	0	371.481	1.622	20	30		FDEDRO
CO[C@H](C[N@@H+]1C[C@@H]2CCN(C(=O)CSCC#N)[C@@H]2C1)C1CCCC1	ZINC001186917448	964876447	/nfs/dbraw/zinc/87/64/47/964876447.db2.gz	PKXXEMFKVRFQRO-GVDBMIGSSA-N	1	0	351.516	1.981	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+]CCCCCCNC(=O)[C@H]1C[C@H]1C(N)=O	ZINC001179601548	964925222	/nfs/dbraw/zinc/92/52/22/964925222.db2.gz	IWMFFKKYPPRUJF-SJORKVTESA-N	1	0	360.433	1.585	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCOCC(C)C)[C@@H]2C1	ZINC001187009865	964926720	/nfs/dbraw/zinc/92/67/20/964926720.db2.gz	NVSXZGSWYSGVRF-YESZJQIVSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+]C[C@@H](O)Cn1cccn1	ZINC001179638520	964942224	/nfs/dbraw/zinc/94/22/24/964942224.db2.gz	SWKUATJZZXDIFW-KURKYZTESA-N	1	0	364.490	1.101	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C(=O)NC)cc3)C[C@H]21	ZINC001187295784	965211658	/nfs/dbraw/zinc/21/16/58/965211658.db2.gz	GLAPUKVTZPKEMU-ZWKOTPCHSA-N	1	0	357.454	1.282	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C)cn1	ZINC000957591466	1013555086	/nfs/dbraw/zinc/55/50/86/1013555086.db2.gz	AVPQAHASDCLYGJ-CRAIPNDOSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)Cc3ccc(F)cc3)C[C@H]21	ZINC001187320399	965243056	/nfs/dbraw/zinc/24/30/56/965243056.db2.gz	RXEDNNVNOXFZBD-QXAKKESOSA-N	1	0	362.445	1.464	20	30		FDEDRO
CCNC(=O)CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(OC)c(C#N)c3)C[C@H]21	ZINC001187598154	965516410	/nfs/dbraw/zinc/51/64/10/965516410.db2.gz	GDJPZAWQHPFMLZ-DOTOQJQBSA-N	1	0	370.453	1.126	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3c(C)cccc3C)C[C@H]21	ZINC001187598489	965520669	/nfs/dbraw/zinc/52/06/69/965520669.db2.gz	PXSIOAZHCIFZSH-PKOBYXMFSA-N	1	0	353.466	1.476	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](CCCc3ccccc3C)C[C@H]21	ZINC001187598600	965522705	/nfs/dbraw/zinc/52/27/05/965522705.db2.gz	VDMYINDOZKDJKH-VQTJNVASSA-N	1	0	367.493	1.600	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)/C=C\c3ccc[nH]3)[C@@H]2C1	ZINC001187653627	965630406	/nfs/dbraw/zinc/63/04/06/965630406.db2.gz	KAJKFGWSSIDWEU-JKLVOYIESA-N	1	0	370.497	1.985	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)COCc3ccco3)C[C@H]21	ZINC001187714502	965659120	/nfs/dbraw/zinc/65/91/20/965659120.db2.gz	SNPWDOYISUHACP-JENIJYKNSA-N	1	0	360.454	1.493	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC(C)(C)O)[C@@H]2C1	ZINC001187729770	965673020	/nfs/dbraw/zinc/67/30/20/965673020.db2.gz	WKBVOTWBYWXIQK-IXDOHACOSA-N	1	0	365.518	1.493	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2CN(CC(=O)NCc3ccc(F)cc3)C[C@H]21	ZINC001187819631	965760722	/nfs/dbraw/zinc/76/07/22/965760722.db2.gz	GIMFVKNUUVVVPA-PKOBYXMFSA-N	1	0	369.440	1.388	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](C[C@H](O)CCc3ccccc3)C[C@H]21	ZINC001187820973	965764348	/nfs/dbraw/zinc/76/43/48/965764348.db2.gz	UGXYPYXSDZKDTH-PWRODBHTSA-N	1	0	352.478	1.926	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cccc4nsnc43)C[C@H]21	ZINC001187882822	965884972	/nfs/dbraw/zinc/88/49/72/965884972.db2.gz	WTEIIKTWJBXCNA-GRDNDAEWSA-N	1	0	370.478	1.762	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cncc4ccccc43)[C@@H]2C1	ZINC001188237752	966109809	/nfs/dbraw/zinc/10/98/09/966109809.db2.gz	LGYGIQQZQOPMBP-GHTZIAJQSA-N	1	0	363.461	1.960	20	30		FDEDRO
N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)C/C=C\c3cccc(F)c3)[C@@H]2C1	ZINC001188229805	966139473	/nfs/dbraw/zinc/13/94/73/966139473.db2.gz	BGMNCXVQMIKYJA-AFFPJUMTSA-N	1	0	370.428	1.401	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCN2C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC000964482409	1013630435	/nfs/dbraw/zinc/63/04/35/1013630435.db2.gz	NCLCAHSUMKGAQL-KBRIMQKVSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cn4c(n3)C[C@H](C)CC4)[C@@H]2C1	ZINC001188329553	966207795	/nfs/dbraw/zinc/20/77/95/966207795.db2.gz	NGYLOVJCLZXKRB-SOLBZPMBSA-N	1	0	358.486	1.814	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccccc3)[C@@H]2C1	ZINC001188357058	966274671	/nfs/dbraw/zinc/27/46/71/966274671.db2.gz	ZRJPMGVKRYDMAD-VQTJNVASSA-N	1	0	367.493	1.962	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cnc4ccccc43)[C@@H]2C1	ZINC001188494234	966366150	/nfs/dbraw/zinc/36/61/50/966366150.db2.gz	ABQVSDLTHSZANY-FXAWDEMLSA-N	1	0	366.465	1.609	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(c3)CCC(=O)N4)[C@@H]2C1	ZINC001188502695	966378138	/nfs/dbraw/zinc/37/81/38/966378138.db2.gz	QUYZHMYLGGCLMN-PKOBYXMFSA-N	1	0	369.465	1.920	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)COc3c(C)occc3=O)[C@@H]2C1	ZINC001188510284	966386093	/nfs/dbraw/zinc/38/60/93/966386093.db2.gz	QOPNZSLZXPZOJO-JKSUJKDBSA-N	1	0	362.426	1.062	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]21	ZINC001188884324	966614814	/nfs/dbraw/zinc/61/48/14/966614814.db2.gz	GMZGKUCBLQIOEH-HRCADAONSA-N	1	0	357.520	1.013	20	30		FDEDRO
CC#CCCCC(=O)N1CC[C@H]2CN(CC(=O)NCc3cccnc3)C[C@H]21	ZINC001188902914	966644595	/nfs/dbraw/zinc/64/45/95/966644595.db2.gz	BVWBNNZIXXSVTM-RBUKOAKNSA-N	1	0	368.481	1.424	20	30		FDEDRO
C=CCCCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)COC3CCOCC3)C[C@H]21	ZINC001189007510	966697925	/nfs/dbraw/zinc/69/79/25/966697925.db2.gz	WSWIUUIWCQSSGB-YQVWRLOYSA-N	1	0	366.502	1.432	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cnnc4)cc3)[C@@H]2C1	ZINC001189418651	966964520	/nfs/dbraw/zinc/96/45/20/966964520.db2.gz	IWCBNIFJBWVSLS-PKOBYXMFSA-N	1	0	365.437	1.063	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)C(=O)NCC4CC4)[C@@H]3C2)c1	ZINC001189568227	967075001	/nfs/dbraw/zinc/07/50/01/967075001.db2.gz	CVEHXSABFIAESR-ZWKOTPCHSA-N	1	0	352.438	1.117	20	30		FDEDRO
C[N@H+](CCn1cnc(Br)n1)C[C@H](O)c1cccc(C#N)c1	ZINC000852210420	967102306	/nfs/dbraw/zinc/10/23/06/967102306.db2.gz	DUNYMZYKRYLFGD-ZDUSSCGKSA-N	1	0	350.220	1.578	20	30		FDEDRO
O=C(CC(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21)NCC1CC1	ZINC001189723813	967178939	/nfs/dbraw/zinc/17/89/39/967178939.db2.gz	ITNUSMIILTZEEV-VQTJNVASSA-N	1	0	365.477	1.487	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3Cc4c(cccc4C)O3)[C@@H]2C1	ZINC001189794002	967270988	/nfs/dbraw/zinc/27/09/88/967270988.db2.gz	MLNYUMULWBEADW-ILZDJORESA-N	1	0	354.450	1.481	20	30		FDEDRO
C=CC[C@@H]1CCC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1	ZINC000852411058	967282662	/nfs/dbraw/zinc/28/26/62/967282662.db2.gz	RPKRGMJJIYMAEC-OAHLLOKOSA-N	1	0	362.474	1.951	20	30		FDEDRO
C#CCNC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1	ZINC000852472219	967355675	/nfs/dbraw/zinc/35/56/75/967355675.db2.gz	ALTYWCVLKMILQU-ZIAGYGMSSA-N	1	0	359.392	1.391	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CCCC(=O)NCCC)[C@@H]2C1	ZINC001189856690	967360697	/nfs/dbraw/zinc/36/06/97/967360697.db2.gz	FHMMENNMZMBLNL-DLBZAZTESA-N	1	0	351.491	1.418	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CC[NH+](CCC4OCCO4)CC3)n[nH]2)cc1	ZINC000852491471	967369262	/nfs/dbraw/zinc/36/92/62/967369262.db2.gz	VMABHSILHFVMFE-UHFFFAOYSA-N	1	0	353.426	1.833	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1CC[C@H]2CN(Cc3ccc(OC)c(C#N)c3)C[C@H]21	ZINC001189898067	967412952	/nfs/dbraw/zinc/41/29/52/967412952.db2.gz	CWINJGNWBAGTOF-PKOBYXMFSA-N	1	0	370.497	1.941	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Oc3ccc(C)cc3)[C@@H]2C1	ZINC001190059504	967522885	/nfs/dbraw/zinc/52/28/85/967522885.db2.gz	VIGQFJKVEWCYMD-CMKODMSKSA-N	1	0	356.466	1.945	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3cccs3)[C@@H]2C1	ZINC001190108365	967544609	/nfs/dbraw/zinc/54/46/09/967544609.db2.gz	QBVCIMQUWMGMJM-HLLBOEOZSA-N	1	0	361.511	1.904	20	30		FDEDRO
C=C[C@H](CO)NCC(=O)N(c1ccc(C)c(C)c1)[C@H]1C=CS(=O)(=O)C1	ZINC000852714672	967549789	/nfs/dbraw/zinc/54/97/89/967549789.db2.gz	XXTWSJDAXFPZLG-WBVHZDCISA-N	1	0	364.467	1.084	20	30		FDEDRO
CCS(=O)(=O)Nc1ccc(NC(=O)C#CC2CC[NH2+]CC2)cc1OC	ZINC000852819075	967631958	/nfs/dbraw/zinc/63/19/58/967631958.db2.gz	XGSAZAMUHGPKLN-UHFFFAOYSA-N	1	0	365.455	1.398	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NCC1(c2ccc3c(c2)OCO3)CCOCC1	ZINC000852821772	967633151	/nfs/dbraw/zinc/63/31/51/967633151.db2.gz	XSYGQUNWSKSYQT-UHFFFAOYSA-N	1	0	370.449	1.583	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCc4ccccc43)[C@@H]2C1	ZINC001190220972	967635582	/nfs/dbraw/zinc/63/55/82/967635582.db2.gz	IMXVCAFLBBYEJP-AZUAARDMSA-N	1	0	355.482	1.784	20	30		FDEDRO
N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cc(Br)cc2c1OCCO2	ZINC000852827507	967638805	/nfs/dbraw/zinc/63/88/05/967638805.db2.gz	JXQTXARRILNKPP-GZMMTYOYSA-N	1	0	352.188	1.062	20	30		FDEDRO
COCC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1	ZINC001190230043	967646019	/nfs/dbraw/zinc/64/60/19/967646019.db2.gz	RMUKKTYOZYVUMQ-CEXWTWQISA-N	1	0	370.497	1.336	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCN(C(=O)c2cc3occc3s2)CC1	ZINC000852845343	967652212	/nfs/dbraw/zinc/65/22/12/967652212.db2.gz	UUJNHDCOVGOYQC-UHFFFAOYSA-N	1	0	371.462	1.782	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NC[C@H](c1ccc(F)cc1)N1CCOCC1	ZINC000852854354	967659185	/nfs/dbraw/zinc/65/91/85/967659185.db2.gz	GAQURSXKSVEPID-LJQANCHMSA-N	1	0	359.445	1.318	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1	ZINC000852854353	967659433	/nfs/dbraw/zinc/65/94/33/967659433.db2.gz	GAQURSXKSVEPID-IBGZPJMESA-N	1	0	359.445	1.318	20	30		FDEDRO
C[C@H](NC(=O)C#CC1CC[NH2+]CC1)[C@H]1CN(Cc2ccccc2)CCO1	ZINC000852869709	967675964	/nfs/dbraw/zinc/67/59/64/967675964.db2.gz	DYKGBXCRCLMTHA-FXAWDEMLSA-N	1	0	355.482	1.395	20	30		FDEDRO
O=C(CC#Cc1ccccc1)N1CC[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21	ZINC001190311304	967723460	/nfs/dbraw/zinc/72/34/60/967723460.db2.gz	AOPSFNAZWACMIC-GBESFXJTSA-N	1	0	351.450	1.240	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]nc4ccccc43)[C@@H]2C1	ZINC001190318686	967730943	/nfs/dbraw/zinc/73/09/43/967730943.db2.gz	RUOVEQONCQHRFK-HNAYVOBHSA-N	1	0	352.438	1.288	20	30		FDEDRO
N#Cc1ccc(N2C[C@]3(COCC[N@H+](C[C@H]4CCOC4)C3)OCC2=O)cc1	ZINC001202487665	967879899	/nfs/dbraw/zinc/87/98/99/967879899.db2.gz	NCIACPNQOQBYOK-YLJYHZDGSA-N	1	0	371.437	1.029	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](CCCCCn3cncn3)C[C@H]21	ZINC001190458799	967884628	/nfs/dbraw/zinc/88/46/28/967884628.db2.gz	NJZMHRJFABIEDH-FGTMMUONSA-N	1	0	361.490	1.572	20	30		FDEDRO
CCN(CC)S(=O)(=O)c1ccc(N=NCc2cnc(C)n2C)nc1	ZINC000853274978	967954424	/nfs/dbraw/zinc/95/44/24/967954424.db2.gz	IMBBZJSPJCRJPO-UHFFFAOYSA-N	1	0	350.448	1.600	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2nnc[nH]2)C3)c1	ZINC001110429868	967966409	/nfs/dbraw/zinc/96/64/09/967966409.db2.gz	UEYJHQZIHRLNFE-ZACQAIPSSA-N	1	0	350.426	1.531	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1	ZINC001190589962	967971271	/nfs/dbraw/zinc/97/12/71/967971271.db2.gz	NHUVPVBSHDPCFV-QZTJIDSGSA-N	1	0	363.421	1.464	20	30		FDEDRO
CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)c2ccc(C#N)cn2)CC1	ZINC001190590130	967971479	/nfs/dbraw/zinc/97/14/79/967971479.db2.gz	QKEODGDGVSMDOA-UHFFFAOYSA-N	1	0	355.442	1.112	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH3+])(C(=O)NCc3ccccc3)CC2)nc1	ZINC001190600209	967976484	/nfs/dbraw/zinc/97/64/84/967976484.db2.gz	OPUJWLUNFQVEQO-UHFFFAOYSA-N	1	0	363.421	1.203	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2	ZINC001110667776	967992343	/nfs/dbraw/zinc/99/23/43/967992343.db2.gz	KHVBTKPKOSEPEI-XSYGEPLQSA-N	1	0	374.529	1.249	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H](N2CCOC2=O)C1)C(C)C	ZINC000853383614	967995859	/nfs/dbraw/zinc/99/58/59/967995859.db2.gz	IJZCRBBEJHQPLA-IAGOWNOFSA-N	1	0	364.490	1.921	20	30		FDEDRO
C[C@@H]1CN(c2cc(Br)cnc2C#N)CC[N@@H+]1CC(C)(C)O	ZINC000853509686	968064549	/nfs/dbraw/zinc/06/45/49/968064549.db2.gz	AGWDYGKLBPKTQP-LLVKDONJSA-N	1	0	353.264	1.997	20	30		FDEDRO
CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H](N(C)CC(=O)N(CC)CCC#N)C1	ZINC001190765601	968074100	/nfs/dbraw/zinc/07/41/00/968074100.db2.gz	NRLVULZXQMMUJQ-NUJGCVRESA-N	1	0	364.490	1.096	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1C	ZINC001190839213	968116607	/nfs/dbraw/zinc/11/66/07/968116607.db2.gz	MOTGHPFFAROKNV-UHFFFAOYSA-N	1	0	359.835	1.790	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@H](c2ccccc2)C2CCOCC2)CC1	ZINC000775442359	968344445	/nfs/dbraw/zinc/34/44/45/968344445.db2.gz	ZDSPAPUACWTAEM-OAQYLSRUSA-N	1	0	355.482	1.521	20	30		FDEDRO
N#Cc1cc(S(N)(=O)=O)ccc1NC[C@H]1CC[N@@H+]1Cc1ccccc1	ZINC000853978141	968490715	/nfs/dbraw/zinc/49/07/15/968490715.db2.gz	CUAYCUVNDXPMEC-MRXNPFEDSA-N	1	0	356.451	1.892	20	30		FDEDRO
C#C[C@H](NC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)[C@H]1CCCO1	ZINC000854002992	968519458	/nfs/dbraw/zinc/51/94/58/968519458.db2.gz	DYFYFMVYXQLHIK-GBESFXJTSA-N	1	0	357.454	1.233	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC2CCC(F)(F)CC2)C[C@H]1O	ZINC001191614190	968667118	/nfs/dbraw/zinc/66/71/18/968667118.db2.gz	HORPAWCGVWPMPM-NUEKZKHPSA-N	1	0	360.445	1.954	20	30		FDEDRO
CC(C)C#CC(=O)N(C)CCN(CC[NH+]1CCCC1)C(=O)C#CC(C)C	ZINC000854449858	968900270	/nfs/dbraw/zinc/90/02/70/968900270.db2.gz	SOKXDCHEISUCTN-UHFFFAOYSA-N	1	0	359.514	1.688	20	30		FDEDRO
C#CCN(CC(=O)N1CCOC[C@H]1[C@@H]1CCC[N@H+]1C)C(=O)OC(C)(C)C	ZINC000854643887	969047844	/nfs/dbraw/zinc/04/78/44/969047844.db2.gz	ZUQLEPNWFMZYLX-HOTGVXAUSA-N	1	0	365.474	1.178	20	30		FDEDRO
Cc1ccccc1OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1	ZINC001192298248	969049853	/nfs/dbraw/zinc/04/98/53/969049853.db2.gz	IEKJTTMLZKTMBM-QZTJIDSGSA-N	1	0	368.437	1.439	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1[nH]c2ccccc2c1CC(=O)OCC	ZINC000854663846	969066756	/nfs/dbraw/zinc/06/67/56/969066756.db2.gz	FLCWPCANNKOTRF-UHFFFAOYSA-N	1	0	355.438	1.958	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1CN(CCOc2ccccc2OCC)C[C@H]1O	ZINC001192517374	969149623	/nfs/dbraw/zinc/14/96/23/969149623.db2.gz	FFMZUSFSHMFMGZ-IAGOWNOFSA-N	1	0	360.454	1.429	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CCNC(=O)C2CC2)C1	ZINC001192767558	969276880	/nfs/dbraw/zinc/27/68/80/969276880.db2.gz	XWQFOFGOMBYWNE-BZSNNMDCSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c(C)nc3ccccc32)C1	ZINC001192813238	969313032	/nfs/dbraw/zinc/31/30/32/969313032.db2.gz	FCQBWZJZBSVMFV-POZUXBRTSA-N	1	0	356.470	1.861	20	30		FDEDRO
CO[C@H](Cc1ccccc1)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1	ZINC001192813999	969313109	/nfs/dbraw/zinc/31/31/09/969313109.db2.gz	UPDDDQKZPCXGNZ-GUDVDZBRSA-N	1	0	358.482	1.455	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1O	ZINC001192924826	969382763	/nfs/dbraw/zinc/38/27/63/969382763.db2.gz	PJFPLQNFLBKVPA-KZNAEPCWSA-N	1	0	368.518	1.726	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C(=O)CC)C1	ZINC001193148387	969515342	/nfs/dbraw/zinc/51/53/42/969515342.db2.gz	TUNFSLLWCHNZRQ-FGTMMUONSA-N	1	0	365.518	1.685	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)N[C@H]1CCN(Cc2cccc(Br)c2)C1	ZINC001193178482	969552872	/nfs/dbraw/zinc/55/28/72/969552872.db2.gz	JDTHUNVDJHBHGY-FZMZJTMJSA-N	1	0	372.288	1.855	20	30		FDEDRO
CC[C@@H](CC(F)F)C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O	ZINC001193718781	969840332	/nfs/dbraw/zinc/84/03/32/969840332.db2.gz	LLDCXWCQBYENPI-ARFHVFGLSA-N	1	0	351.397	1.901	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3c2NC(=O)CO3)C1	ZINC001193821468	969881709	/nfs/dbraw/zinc/88/17/09/969881709.db2.gz	JMRPYNZOTVRURM-BPLDGKMQSA-N	1	0	359.426	1.147	20	30		FDEDRO
C=CC[NH+](CC=C)CCN1CCN(S(=O)(=O)c2ccccc2N)CC1	ZINC001193921999	969926486	/nfs/dbraw/zinc/92/64/86/969926486.db2.gz	WOQMQBYJHUDWLQ-UHFFFAOYSA-N	1	0	364.515	1.249	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC/C=C/c2ccccc2)C1	ZINC001194063386	969981816	/nfs/dbraw/zinc/98/18/16/969981816.db2.gz	NIPZJZSLLKEYCF-DCQHUWKXSA-N	1	0	360.454	1.080	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C1	ZINC001194110043	969996548	/nfs/dbraw/zinc/99/65/48/969996548.db2.gz	UFUZOMSVELFAMQ-LXTVHRRPSA-N	1	0	364.408	1.719	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc([C@H]3CCOC3)c2)C1	ZINC001194265719	970086161	/nfs/dbraw/zinc/08/61/61/970086161.db2.gz	WQAMTFBNSZFGHY-IPMKNSEASA-N	1	0	360.454	1.168	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccccc2OCC)C1	ZINC001194475512	970204920	/nfs/dbraw/zinc/20/49/20/970204920.db2.gz	GAIGNUKNTLTVBQ-QZTJIDSGSA-N	1	0	362.470	1.382	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cccc3ncccc23)C1	ZINC001194638756	970282534	/nfs/dbraw/zinc/28/25/34/970282534.db2.gz	QPQCUTXQLNLQTG-RTBURBONSA-N	1	0	355.438	1.141	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NCC[C@H](C)[NH+](C)C)ccc1F	ZINC000855410029	970350766	/nfs/dbraw/zinc/35/07/66/970350766.db2.gz	ALYORTDGXWITOS-LBPRGKRZSA-N	1	0	357.451	1.360	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc3[nH]c(CC)nc32)C1	ZINC001194886816	970488955	/nfs/dbraw/zinc/48/89/55/970488955.db2.gz	MFRCFLJGTBONGK-NWANDNLSSA-N	1	0	357.458	1.650	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1	ZINC001194887870	970532240	/nfs/dbraw/zinc/53/22/40/970532240.db2.gz	XRNUFWRARMQWIG-BURFUSLBSA-N	1	0	366.408	1.432	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2c2nccs2)C1	ZINC001194952195	970550760	/nfs/dbraw/zinc/55/07/60/970550760.db2.gz	LRARNIKLFVLHPD-QLFBSQMISA-N	1	0	350.488	1.239	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O	ZINC001195021086	970616355	/nfs/dbraw/zinc/61/63/55/970616355.db2.gz	QWVDCULBVGOMKH-LMMKCTJWSA-N	1	0	354.491	1.193	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCCc2ccccc21	ZINC001110465892	970669094	/nfs/dbraw/zinc/66/90/94/970669094.db2.gz	YAYCMTRTIYQJOW-LMCOJAPRSA-N	1	0	365.477	1.925	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCc1ccccc1	ZINC001110465987	970713866	/nfs/dbraw/zinc/71/38/66/970713866.db2.gz	CZXYICPMVWJYAA-QRVBRYPASA-N	1	0	353.466	1.480	20	30		FDEDRO
C#C[C@H]([NH2+][C@@H](C)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[C@@H]1CCCO1	ZINC000775795799	972551210	/nfs/dbraw/zinc/55/12/10/972551210.db2.gz	ZNRIBPQOKGLBDF-QEJZJMRPSA-N	1	0	373.409	1.265	20	30		FDEDRO
c1ccc(COCCCNN=C2CC[NH+](CCN3CCOCC3)CC2)cc1	ZINC000863178529	972695496	/nfs/dbraw/zinc/69/54/96/972695496.db2.gz	UQZXQRASUXXASS-UHFFFAOYSA-N	1	0	374.529	1.967	20	30		FDEDRO
COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC(=O)NC2(C#N)CCCCC2)C1	ZINC000775812745	972723268	/nfs/dbraw/zinc/72/32/68/972723268.db2.gz	UHSQDOWYSVBACZ-CABCVRRESA-N	1	0	350.463	1.786	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(C)(C)CC(F)(F)F)C1	ZINC001198185091	972903159	/nfs/dbraw/zinc/90/31/59/972903159.db2.gz	DZRFQVGPJMDTHM-CHWSQXEVSA-N	1	0	352.397	1.719	20	30		FDEDRO
C[C@H]1CCC[C@H](C)[NH+]1CC(N)=NOCC(=O)NCc1ccc(C#N)cc1	ZINC000794525521	972903421	/nfs/dbraw/zinc/90/34/21/972903421.db2.gz	DVCNEJMKKCBPQZ-GJZGRUSLSA-N	1	0	357.458	1.936	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+](CCc3cccs3)C[C@H]2O)CCOCC1	ZINC001198240023	972928297	/nfs/dbraw/zinc/92/82/97/972928297.db2.gz	ZUUQGTLYTWBMJH-IAGOWNOFSA-N	1	0	364.511	1.825	20	30		FDEDRO
COC(=O)c1cc(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)ccc1OC	ZINC000863549215	973003140	/nfs/dbraw/zinc/00/31/40/973003140.db2.gz	CYMSFBCFCMPWMU-OAHLLOKOSA-N	1	0	362.426	1.643	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]CCCNC(=O)/C=C\c2ccccc2)CCOCC1	ZINC000863555361	973012080	/nfs/dbraw/zinc/01/20/80/973012080.db2.gz	QRXJGXDDNQUVGK-QULHZPMSSA-N	1	0	371.481	1.867	20	30		FDEDRO
C[C@@H](CC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)NC(=O)OC(C)(C)C	ZINC000863562422	973017754	/nfs/dbraw/zinc/01/77/54/973017754.db2.gz	ISFZXAFNEOSOBM-GJZGRUSLSA-N	1	0	355.479	1.951	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCN(C(C)=O)CC2)C1	ZINC001198481807	973190557	/nfs/dbraw/zinc/19/05/57/973190557.db2.gz	HUWZIYTZSJDSTL-QZTJIDSGSA-N	1	0	351.491	1.153	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2ccc(F)c(F)c2)C1	ZINC001198833356	973526062	/nfs/dbraw/zinc/52/60/62/973526062.db2.gz	CEKXFDSQVWDYPS-JCURWCKSSA-N	1	0	354.397	1.432	20	30		FDEDRO
O=C(CC#Cc1ccccc1)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1O	ZINC001198944967	973787171	/nfs/dbraw/zinc/78/71/71/973787171.db2.gz	RSEKDRQLKUYYAP-NHCUHLMSSA-N	1	0	364.445	1.282	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(OC)c(Cl)c2)C1	ZINC001198950173	973792404	/nfs/dbraw/zinc/79/24/04/973792404.db2.gz	LNJQCELQUFOLNE-KCPJHIHWSA-N	1	0	353.850	1.873	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)cc1	ZINC001199023923	973804750	/nfs/dbraw/zinc/80/47/50/973804750.db2.gz	UMUHEWZQOFBGRT-RTBURBONSA-N	1	0	356.470	1.096	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)NC(=O)NCC=C)C1	ZINC001199081534	973903006	/nfs/dbraw/zinc/90/30/06/973903006.db2.gz	QLKHKFRUNXNLEM-HZPDHXFCSA-N	1	0	366.506	1.158	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)c3sccc3CC#N)ccn2)CC1	ZINC000864895419	973930057	/nfs/dbraw/zinc/93/00/57/973930057.db2.gz	NBBRFXCNLKUKTI-UHFFFAOYSA-N	1	0	355.467	1.891	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N[C@@H]2C[N@H+](CCCCOC)C[C@H]2O)cc1	ZINC001199216433	974031809	/nfs/dbraw/zinc/03/18/09/974031809.db2.gz	HKDRELYVJNVPLZ-RTBURBONSA-N	1	0	362.470	1.382	20	30		FDEDRO
C=C(Cl)C[C@@H]1NC(=O)N(Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1=O	ZINC000865304118	974221981	/nfs/dbraw/zinc/22/19/81/974221981.db2.gz	ATNRAEDRJRMPBQ-CVEARBPZSA-N	1	0	363.845	1.816	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)CC[N@@H+]1C	ZINC000967566828	1014176788	/nfs/dbraw/zinc/17/67/88/1014176788.db2.gz	OMBRAUUMLUCLRL-ZTFGCOKTSA-N	1	0	371.485	1.680	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)NC(=O)C2CCCC2)C1	ZINC001199489404	974296375	/nfs/dbraw/zinc/29/63/75/974296375.db2.gz	JGLVBEVAEKPNRC-USXIJHARSA-N	1	0	351.491	1.199	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]CC1CCN(S(C)(=O)=O)CC1	ZINC000865439292	974297409	/nfs/dbraw/zinc/29/74/09/974297409.db2.gz	RQRNIEZCAFDFMP-UHFFFAOYSA-N	1	0	350.488	1.385	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)CC2)CC[N@@H+]1C	ZINC000967568705	1014180732	/nfs/dbraw/zinc/18/07/32/1014180732.db2.gz	WLYHSOVDTUYWBL-DJIMGWMZSA-N	1	0	371.485	1.680	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+][C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1	ZINC000865522285	974337741	/nfs/dbraw/zinc/33/77/41/974337741.db2.gz	NKZIIFQDRFRYSI-WMZOPIPTSA-N	1	0	363.483	1.450	20	30		FDEDRO
C#C[C@@H]([NH2+]C1CC(C(=O)OC(C)C)(C(=O)OC(C)C)C1)[C@@H]1CCCO1	ZINC000776003025	974433041	/nfs/dbraw/zinc/43/30/41/974433041.db2.gz	VDPTXZPXSJFPEV-CVEARBPZSA-N	1	0	351.443	1.809	20	30		FDEDRO
N#Cc1cnc(C(=O)NCCCP(CCC[NH3+])c2ccccc2)cn1	ZINC001199670458	974454334	/nfs/dbraw/zinc/45/43/34/974454334.db2.gz	NOUFBMNPQCHXCL-UHFFFAOYSA-N	1	0	355.382	1.624	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+]Cc3nc4c(c(=O)[nH]3)COCC4)CC2)cc1	ZINC000865866499	974538121	/nfs/dbraw/zinc/53/81/21/974538121.db2.gz	NACCQTAEMYHGBB-UHFFFAOYSA-N	1	0	365.437	1.885	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCc1ccccc1	ZINC001110551159	974735282	/nfs/dbraw/zinc/73/52/82/974735282.db2.gz	RMWNUAHEKWDROF-AQNXPRMDSA-N	1	0	356.466	1.965	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCCOC(C)C)C1	ZINC001200527903	974806406	/nfs/dbraw/zinc/80/64/06/974806406.db2.gz	CFQWFTAZXHXACW-QRVBRYPASA-N	1	0	368.518	1.990	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCOC(C)C)C1	ZINC001200528237	974807847	/nfs/dbraw/zinc/80/78/47/974807847.db2.gz	IEBYYEOUPPQXII-KURKYZTESA-N	1	0	354.491	1.600	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)CCCO1	ZINC001200722099	974882026	/nfs/dbraw/zinc/88/20/26/974882026.db2.gz	TWPMVECWDFQMST-JFIYKMOQSA-N	1	0	362.474	1.374	20	30		FDEDRO
C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@]23CCOc2ccccc23)CCCO1	ZINC001200966545	974939176	/nfs/dbraw/zinc/93/91/76/974939176.db2.gz	MIXGJADNZLKQRG-MDKPJZGXSA-N	1	0	354.450	1.567	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccnn2C)CCCO1	ZINC001201043265	974956689	/nfs/dbraw/zinc/95/66/89/974956689.db2.gz	WEVQAVTWXCJCGS-RBSFLKMASA-N	1	0	352.866	1.483	20	30		FDEDRO
C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)CCCO1	ZINC001201043167	974956792	/nfs/dbraw/zinc/95/67/92/974956792.db2.gz	UAOUVQWPJFAYRE-SLFFLAALSA-N	1	0	355.482	1.696	20	30		FDEDRO
CN(C)c1cc[nH+]cc1C=[NH+][N-]c1ccc(S(=O)(=O)NC2CC2)cn1	ZINC000776186778	975062840	/nfs/dbraw/zinc/06/28/40/975062840.db2.gz	ZTIYKPSEVNOLJA-UHFFFAOYSA-N	1	0	360.443	1.429	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCCCOC)C1	ZINC001201613270	975098226	/nfs/dbraw/zinc/09/82/26/975098226.db2.gz	ZBLASUUYDUBMFQ-FHWLQOOXSA-N	1	0	368.518	1.991	20	30		FDEDRO
C=CCOCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCO[C@H]2C(=C)C)CCCO1	ZINC001201619748	975100011	/nfs/dbraw/zinc/10/00/11/975100011.db2.gz	BEQBLTZAGWNIEN-BZSNNMDCSA-N	1	0	352.475	1.377	20	30		FDEDRO
C#CCN(C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1	ZINC000847378024	975553867	/nfs/dbraw/zinc/55/38/67/975553867.db2.gz	IPSJVZBWOHKSOF-ROUUACIJSA-N	1	0	360.479	1.157	20	30		FDEDRO
C#C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(OC)c2)C1	ZINC000847564452	975834843	/nfs/dbraw/zinc/83/48/43/975834843.db2.gz	ZGAPXZMAQMDASQ-HNNXBMFYSA-N	1	0	373.453	1.446	20	30		FDEDRO
C=CCN1CCC(NS(=O)(=O)CC2CN(C(=O)OC(C)(C)C)C2)CC1	ZINC000866744448	975984882	/nfs/dbraw/zinc/98/48/82/975984882.db2.gz	KVXFBXIIVVWMID-UHFFFAOYSA-N	1	0	373.519	1.423	20	30		FDEDRO
COCCC1(NS(=O)(=O)Cc2ccc(CC#N)cc2)CC[NH2+]CC1	ZINC000866826226	976118488	/nfs/dbraw/zinc/11/84/88/976118488.db2.gz	WDAVYLHZBKHPLF-UHFFFAOYSA-N	1	0	351.472	1.331	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)Cc1c(C)nc2c(c(=O)[nH]n2C)c1C	ZINC000121618520	976172329	/nfs/dbraw/zinc/17/23/29/976172329.db2.gz	MMQKTDBLQRSRPL-ZDUSSCGKSA-N	1	0	372.469	1.698	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cn1cccn1	ZINC001110595580	976211817	/nfs/dbraw/zinc/21/18/17/976211817.db2.gz	XEEWGVOPCODKSI-QXSJWSMHSA-N	1	0	366.893	1.744	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000867582255	976422007	/nfs/dbraw/zinc/42/20/07/976422007.db2.gz	QTVXJUKXSBMRCF-UHFFFAOYSA-N	1	0	365.499	1.678	20	30		FDEDRO
COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000848194462	976467719	/nfs/dbraw/zinc/46/77/19/976467719.db2.gz	IIBAWXCJIRYQMP-QGZVFWFLSA-N	1	0	355.438	1.814	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)Nn1cnc2sc3c(c2c1=O)CCCC3	ZINC000848397104	976718006	/nfs/dbraw/zinc/71/80/06/976718006.db2.gz	TVXGNEXNAUZOGY-LBPRGKRZSA-N	1	0	359.455	1.818	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	ZINC000848412232	976723308	/nfs/dbraw/zinc/72/33/08/976723308.db2.gz	ZRXQFMVFDBZRCX-AEFFLSMTSA-N	1	0	371.485	1.416	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)CC1	ZINC000121799300	976731649	/nfs/dbraw/zinc/73/16/49/976731649.db2.gz	MQXBMTGVDACUAI-MOPGFXCFSA-N	1	0	373.497	1.725	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCCCNC(=O)c1ccccc1	ZINC000867943419	977122230	/nfs/dbraw/zinc/12/22/30/977122230.db2.gz	UWHMZDJWHZHTOR-IBGZPJMESA-N	1	0	362.433	1.681	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCCCOCC1CCOCC1	ZINC000867955024	977137057	/nfs/dbraw/zinc/13/70/57/977137057.db2.gz	VCJDGPVJSCZGGE-LJQANCHMSA-N	1	0	357.454	1.695	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC(Cn2ccnn2)CC1	ZINC000867977541	977161806	/nfs/dbraw/zinc/16/18/06/977161806.db2.gz	KDCYVHMDPHSYDX-SFHVURJKSA-N	1	0	350.426	1.275	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CCN1CC(F)(F)F	ZINC000867977483	977161957	/nfs/dbraw/zinc/16/19/57/977161957.db2.gz	INGJUBFUZYOCBT-MLGOLLRUSA-N	1	0	366.387	1.840	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCn2c(CC3CC3)nnc2C1	ZINC000867982785	977167559	/nfs/dbraw/zinc/16/75/59/977167559.db2.gz	WVWAOEUGIGKRJD-IBGZPJMESA-N	1	0	362.437	1.331	20	30		FDEDRO
C[NH+]=C(NCc1ccco1)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2	ZINC000849038176	977292668	/nfs/dbraw/zinc/29/26/68/977292668.db2.gz	JJCKVDATBPQGSV-CQSZACIVSA-N	1	0	372.425	1.269	20	30		FDEDRO
N#Cc1cccnc1NCCNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1	ZINC000849058519	977298017	/nfs/dbraw/zinc/29/80/17/977298017.db2.gz	DJBSVKPPHSCXJE-UHFFFAOYSA-N	1	0	367.432	1.851	20	30		FDEDRO
C[NH+]=C(NCCNc1ccc(C(F)(F)F)cn1)NCCN1CCOCC1	ZINC000849060293	977299151	/nfs/dbraw/zinc/29/91/51/977299151.db2.gz	SYCSSZRUXXFXSP-UHFFFAOYSA-N	1	0	374.411	1.010	20	30		FDEDRO
CCOCCC[NH+]=C(NCc1cn(C)nn1)NCc1ccc(OC)cc1	ZINC000849078853	977306155	/nfs/dbraw/zinc/30/61/55/977306155.db2.gz	FQMJDKVFCFDGPU-UHFFFAOYSA-N	1	0	360.462	1.486	20	30		FDEDRO
N#Cc1c(N)n[nH]c1CCCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2	ZINC000849098540	977314221	/nfs/dbraw/zinc/31/42/21/977314221.db2.gz	VHMZOZKBFXVRFL-UHFFFAOYSA-N	1	0	355.402	1.594	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1nc2cc(Cl)ccc2n1C	ZINC000849097981	977314388	/nfs/dbraw/zinc/31/43/88/977314388.db2.gz	SUEQZTSBIIOIHO-UHFFFAOYSA-N	1	0	364.881	1.224	20	30		FDEDRO
C=C(C)CNC(=[NH2+])NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1	ZINC000849105003	977317848	/nfs/dbraw/zinc/31/78/48/977317848.db2.gz	LGQINNVIGOZMBV-MRXNPFEDSA-N	1	0	362.449	1.533	20	30		FDEDRO
N#Cc1ccc(Cn2cc(NC(=O)NCCCN3CC[NH2+]CC3)cn2)cc1	ZINC000868196953	977342674	/nfs/dbraw/zinc/34/26/74/977342674.db2.gz	ZJADKERZHFJSDS-UHFFFAOYSA-N	1	0	367.457	1.220	20	30		FDEDRO
CN1CC[NH+](C2CCN(C(=O)NCc3ccc(OCC#N)cc3)CC2)CC1	ZINC000868202047	977344183	/nfs/dbraw/zinc/34/41/83/977344183.db2.gz	IPGQXZTUJJECMD-UHFFFAOYSA-N	1	0	371.485	1.510	20	30		FDEDRO
N#Cc1cccc([C@@H](NC(=O)NC[C@H]2C[NH2+]CCCO2)C(F)(F)F)c1	ZINC000868209095	977347264	/nfs/dbraw/zinc/34/72/64/977347264.db2.gz	HDEWQFHAGBDOEL-ZIAGYGMSSA-N	1	0	356.348	1.839	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1C#N	ZINC000868251512	977395747	/nfs/dbraw/zinc/39/57/47/977395747.db2.gz	RYJUNJATUWFXAF-HUUCEWRRSA-N	1	0	370.453	1.744	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)CC1	ZINC000868365143	977539184	/nfs/dbraw/zinc/53/91/84/977539184.db2.gz	WNYRGQAGPVDMRV-UHFFFAOYSA-N	1	0	371.485	1.501	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1	ZINC000108609937	977607107	/nfs/dbraw/zinc/60/71/07/977607107.db2.gz	LWBYJRMFXVFVPJ-UHFFFAOYSA-N	1	0	369.465	1.972	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)NC2CC[NH+](CC(=C)C)CC2)cc1	ZINC000108614129	977611033	/nfs/dbraw/zinc/61/10/33/977611033.db2.gz	TUXJGFGXUCOTGE-UHFFFAOYSA-N	1	0	355.438	1.794	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccncc2C#N)[C@@H](c2cnn(C)c2)C1	ZINC000849546379	977727189	/nfs/dbraw/zinc/72/71/89/977727189.db2.gz	AGBJIBKZEBVLRL-IAGOWNOFSA-N	1	0	352.442	1.561	20	30		FDEDRO
Cc1cc(NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)nn1CCC#N	ZINC000849571027	977770974	/nfs/dbraw/zinc/77/09/74/977770974.db2.gz	GDXUFRMSYZEFOY-HOTGVXAUSA-N	1	0	355.446	1.513	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1cnc(CNC(=O)OC(C)(C)C)nc1	ZINC000868581881	977790454	/nfs/dbraw/zinc/79/04/54/977790454.db2.gz	NFINWOUHOIHPBS-UHFFFAOYSA-N	1	0	361.446	1.186	20	30		FDEDRO
Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2ccc(CC#N)cc2)cn1	ZINC000849606859	977837433	/nfs/dbraw/zinc/83/74/33/977837433.db2.gz	RTXMEWFFYHVUJJ-RTBURBONSA-N	1	0	351.454	1.838	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1	ZINC000850829034	978687538	/nfs/dbraw/zinc/68/75/38/978687538.db2.gz	AXRNLSKXVMSFKO-KRWDZBQOSA-N	1	0	369.465	1.875	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC000958250624	1014530557	/nfs/dbraw/zinc/53/05/57/1014530557.db2.gz	ZTWALVBKQPGGNW-MLGOLLRUSA-N	1	0	369.425	1.431	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(CC)C1CN(C(=O)[C@H](CC)[NH+](C)C)C1	ZINC000967999326	1014535914	/nfs/dbraw/zinc/53/59/14/1014535914.db2.gz	IQMYWXGOUPXGJN-BZSNNMDCSA-N	1	0	365.518	1.757	20	30		FDEDRO
CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)c1	ZINC000851657051	978986550	/nfs/dbraw/zinc/98/65/50/978986550.db2.gz	VKBBFKYMQQNHPW-CQSZACIVSA-N	1	0	370.413	1.321	20	30		FDEDRO
C#C[C@@H](NC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1)[C@H]1CCCO1	ZINC000851659010	978987255	/nfs/dbraw/zinc/98/72/55/978987255.db2.gz	KSFCGKARCSJQBZ-ZSYWTGECSA-N	1	0	357.454	1.621	20	30		FDEDRO
COC(=O)c1ccc2c(c1)CC[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)C2	ZINC000880350864	979125173	/nfs/dbraw/zinc/12/51/73/979125173.db2.gz	HUTLKWPQNLLYRG-GOSISDBHSA-N	1	0	358.438	1.903	20	30		FDEDRO
COc1cccc2c1CC[C@@]2(CO)[NH2+]C[C@H](O)CC1(C#N)CCOCC1	ZINC000880383081	979147092	/nfs/dbraw/zinc/14/70/92/979147092.db2.gz	ZQQPGXNPEUPPFP-QRWLVFNGSA-N	1	0	360.454	1.490	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C[C@@H](C)N1CC#N	ZINC000880459604	979208115	/nfs/dbraw/zinc/20/81/15/979208115.db2.gz	HWFGIMJAOVFLCK-QZTJIDSGSA-N	1	0	369.513	1.492	20	30		FDEDRO
C#CCC1(O)CC[NH+](C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000880482683	979223203	/nfs/dbraw/zinc/22/32/03/979223203.db2.gz	OHIFSQUGXPHFQX-HXUWFJFHSA-N	1	0	366.502	1.989	20	30		FDEDRO
C#C[C@H](NC(=O)NCc1ccc(OCC[NH+](C)C)cc1)C1CCOCC1	ZINC000851973810	979234342	/nfs/dbraw/zinc/23/43/42/979234342.db2.gz	KLSYMSUEMCMUIN-IBGZPJMESA-N	1	0	359.470	1.855	20	30		FDEDRO
C#C[C@H](NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C1CCOCC1	ZINC000852059156	979314180	/nfs/dbraw/zinc/31/41/80/979314180.db2.gz	WLPVIUXFQKAECP-IBGZPJMESA-N	1	0	362.518	1.273	20	30		FDEDRO
C#C[C@@](C)(CC)[NH2+]CC(=O)NN1C(=O)N[C@](CC)(c2ccccc2)C1=O	ZINC000852101643	979350831	/nfs/dbraw/zinc/35/08/31/979350831.db2.gz	SSFSEHCIUAQYCC-RBUKOAKNSA-N	1	0	356.426	1.266	20	30		FDEDRO
C#C[C@](C)(CC)[NH2+]CC(=O)NN1C(=O)N[C@](CC)(c2ccccc2)C1=O	ZINC000852101645	979351169	/nfs/dbraw/zinc/35/11/69/979351169.db2.gz	SSFSEHCIUAQYCC-RTBURBONSA-N	1	0	356.426	1.266	20	30		FDEDRO
COCCN(CC[NH+](C)C)C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1	ZINC000880651040	979373217	/nfs/dbraw/zinc/37/32/17/979373217.db2.gz	DHAWWECZVPIEIX-UHFFFAOYSA-N	1	0	370.457	1.845	20	30		FDEDRO
C#C[C@H](NC(=O)NCC1([NH+](C)C)Cc2ccccc2C1)C1CCOCC1	ZINC000852140033	979386152	/nfs/dbraw/zinc/38/61/52/979386152.db2.gz	GVSHPWYCZXCOOL-IBGZPJMESA-N	1	0	355.482	1.813	20	30		FDEDRO
C[NH+](C)C1CCN(CCNC(=O)Nc2cc(C#N)c(F)cc2F)CC1	ZINC000880716658	979406261	/nfs/dbraw/zinc/40/62/61/979406261.db2.gz	WBVMPGHEDLFYSP-UHFFFAOYSA-N	1	0	351.401	1.984	20	30		FDEDRO
O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)N[C@@H]1CCCN(O)C1=O	ZINC000881129752	979702359	/nfs/dbraw/zinc/70/23/59/979702359.db2.gz	HJKMIWSHUMUCLM-IAGOWNOFSA-N	1	0	373.457	1.473	20	30		FDEDRO
Cc1ccc(N(CCC#N)C(=O)Cn2cc(C[C@H]3CC[NH2+]C3)nn2)cc1C	ZINC000881132557	979707386	/nfs/dbraw/zinc/70/73/86/979707386.db2.gz	PHRNNRVGLSHTDP-QGZVFWFLSA-N	1	0	366.469	1.994	20	30		FDEDRO
N#C[C@H]1CN(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)CCO1	ZINC000881137252	979712738	/nfs/dbraw/zinc/71/27/38/979712738.db2.gz	LWBHATJLXNHQGS-ROUUACIJSA-N	1	0	355.442	1.727	20	30		FDEDRO
N#Cc1cccc(CC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1	ZINC000881623894	980019578	/nfs/dbraw/zinc/01/95/78/980019578.db2.gz	VEDDPVKEKGLYFD-UHFFFAOYSA-N	1	0	354.454	1.433	20	30		FDEDRO
N#C[C@]1(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC12CCCC2	ZINC000881625386	980024463	/nfs/dbraw/zinc/02/44/63/980024463.db2.gz	NGDBIWRTVQECSE-IBGZPJMESA-N	1	0	358.486	1.793	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNS(=O)(=O)c3cncc(C#N)c3)cc2)CC1	ZINC000882663346	980802722	/nfs/dbraw/zinc/80/27/22/980802722.db2.gz	WECFFTTZGVRELF-UHFFFAOYSA-N	1	0	371.466	1.184	20	30		FDEDRO
C=C(C)CS(=O)(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000882744497	981645520	/nfs/dbraw/zinc/64/55/20/981645520.db2.gz	CUAOPBSEKHVIKR-UHFFFAOYSA-N	1	0	352.500	1.899	20	30		FDEDRO
CC[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N1CCN(c2ncccn2)CC1	ZINC000130003294	981648446	/nfs/dbraw/zinc/64/84/46/981648446.db2.gz	JFMARNAUBQXCCV-LPHOPBHVSA-N	1	0	360.506	1.505	20	30		FDEDRO
C#CCOc1ccccc1C[NH2+][C@@H]1CCCN(CCN2CCOCC2)C1	ZINC000883372042	982101446	/nfs/dbraw/zinc/10/14/46/982101446.db2.gz	JTTUSZVBWFCOCE-HXUWFJFHSA-N	1	0	357.498	1.585	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC	ZINC000858540681	982103650	/nfs/dbraw/zinc/10/36/50/982103650.db2.gz	LPDVHIIZDRAIRN-VAMGGRTRSA-N	1	0	373.497	1.861	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)NCC1CC[NH+](C2CCOCC2)CC1	ZINC000858601522	982141619	/nfs/dbraw/zinc/14/16/19/982141619.db2.gz	VZJIZQBXWBJHMO-KRWDZBQOSA-N	1	0	351.491	1.605	20	30		FDEDRO
C#C[C@H](NC(=O)N1CCC(CC)([NH+]2CCOCC2)CC1)C1CCOCC1	ZINC000858619736	982160866	/nfs/dbraw/zinc/16/08/66/982160866.db2.gz	SYXLBMKYUUGLKA-SFHVURJKSA-N	1	0	363.502	1.701	20	30		FDEDRO
C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1	ZINC000131998516	982216508	/nfs/dbraw/zinc/21/65/08/982216508.db2.gz	NXKUQPVLEGBVFC-HNNXBMFYSA-N	1	0	371.485	1.916	20	30		FDEDRO
C#C[C@H](NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)C(C)(C)C	ZINC000883648636	982345092	/nfs/dbraw/zinc/34/50/92/982345092.db2.gz	ALZZCMNEPAUUTD-SJORKVTESA-N	1	0	350.507	1.130	20	30		FDEDRO
C#CC1(F)CN(C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1	ZINC000883749102	982436147	/nfs/dbraw/zinc/43/61/47/982436147.db2.gz	YLYKAAQHNJDLIQ-UHFFFAOYSA-N	1	0	372.444	1.251	20	30		FDEDRO
CC[NH+]=C(NCC1(C2CC2)CCC1)N1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000132845284	982473897	/nfs/dbraw/zinc/47/38/97/982473897.db2.gz	BHFXAPHBMUWJJX-QGZVFWFLSA-N	1	0	362.518	1.855	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)N(CC)CC(=C)C)CC1	ZINC001202559838	982558008	/nfs/dbraw/zinc/55/80/08/982558008.db2.gz	PZOFAWOSQJZHGY-MSOLQXFVSA-N	1	0	363.502	1.583	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@H]1CC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000859131298	982562494	/nfs/dbraw/zinc/56/24/94/982562494.db2.gz	NWRSUTOCAOYCDZ-LSDHHAIUSA-N	1	0	353.463	1.657	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc3c1CC(=O)N3)C2	ZINC001110767400	982565103	/nfs/dbraw/zinc/56/51/03/982565103.db2.gz	RPIVZZKSYXLKBZ-WQVCFCJDSA-N	1	0	356.426	1.114	20	30		FDEDRO
C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)C[C@H](O)CC1(C#N)CCOCC1	ZINC000859191684	982609959	/nfs/dbraw/zinc/60/99/59/982609959.db2.gz	RRIGYEGHRPRAER-HUUCEWRRSA-N	1	0	355.479	1.903	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@@H](F)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000859257062	982652230	/nfs/dbraw/zinc/65/22/30/982652230.db2.gz	RRUJBHAMMCEIHU-KGLIPLIRSA-N	1	0	368.453	1.686	20	30		FDEDRO
CCCCCCCNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	ZINC000859343121	982728340	/nfs/dbraw/zinc/72/83/40/982728340.db2.gz	QUAXJXYEQKUERV-INIZCTEOSA-N	1	0	353.507	1.785	20	30		FDEDRO
N#Cc1ccccc1S(=O)(=O)NCC(=O)OCCC[NH+]1CCCCC1	ZINC000800124133	982752529	/nfs/dbraw/zinc/75/25/29/982752529.db2.gz	VPTQAPKNGYWUMD-UHFFFAOYSA-N	1	0	365.455	1.256	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCNC(=O)c1ccc(Cl)cc1)C2	ZINC000884066938	982813678	/nfs/dbraw/zinc/81/36/78/982813678.db2.gz	OQQYKZDGGIJYLA-TXKKKEFDSA-N	1	0	360.845	1.325	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NCc2ccc(CN3CCCC3=O)cc2)C1	ZINC000884067734	982815092	/nfs/dbraw/zinc/81/50/92/982815092.db2.gz	QERGJTIFKPOWBF-LJQANCHMSA-N	1	0	368.481	1.706	20	30		FDEDRO
C#CCCC[NH+]1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000859474054	982842049	/nfs/dbraw/zinc/84/20/49/982842049.db2.gz	OUZJJDDVVIWLLO-UHFFFAOYSA-N	1	0	364.490	1.690	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCCN(C(=O)c3ccccc3)CC1)C2	ZINC000884086590	982844837	/nfs/dbraw/zinc/84/48/37/982844837.db2.gz	CAQHARJUMRAXMY-WBTXTPOCSA-N	1	0	366.465	1.500	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCN(C(=O)c3ccsc3)CC1)C2	ZINC000884096977	982861312	/nfs/dbraw/zinc/86/13/12/982861312.db2.gz	PGHUXLYGNUODJR-CSLYMUCUSA-N	1	0	358.467	1.172	20	30		FDEDRO
Cc1ccc(NC(=O)CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c(Cl)c1	ZINC000884111630	982883808	/nfs/dbraw/zinc/88/38/08/982883808.db2.gz	PBTMOOVGWWJGMO-XYEKJYRLSA-N	1	0	360.845	1.843	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NC[C@@H]2CCN(c3cccc(OC)c3)C2)C1	ZINC000884116638	982894177	/nfs/dbraw/zinc/89/41/77/982894177.db2.gz	AYJWXTJAUSFKLJ-ZWKOTPCHSA-N	1	0	370.497	1.918	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCC(NC(=O)CC3CCCC3)CC1)C2	ZINC000884132280	982914662	/nfs/dbraw/zinc/91/46/62/982914662.db2.gz	LPHUIVQAGLDKNT-BATSVXPKSA-N	1	0	372.513	1.813	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCCCN(C(=O)C1CCC1)C1CC1)C2	ZINC000884132298	982915104	/nfs/dbraw/zinc/91/51/04/982915104.db2.gz	MAJCYVZPHPYAFE-NGEICVOHSA-N	1	0	358.486	1.423	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCN(c3ccccc3F)C1=O)C2	ZINC000884137178	982919295	/nfs/dbraw/zinc/91/92/95/982919295.db2.gz	GEZGPJYVLGFLOP-NWGJFKLVSA-N	1	0	356.401	1.187	20	30		FDEDRO
CN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[C@@H]1CCCN(c2ccccc2)C1=O	ZINC000884143406	982924447	/nfs/dbraw/zinc/92/44/47/982924447.db2.gz	HIVNLBMPGUYVDL-QVFKTBPPSA-N	1	0	366.465	1.780	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1	ZINC000859573694	982924753	/nfs/dbraw/zinc/92/47/53/982924753.db2.gz	AUSNYISSUGAXNW-KRWDZBQOSA-N	1	0	365.271	1.398	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21	ZINC000331753772	982937342	/nfs/dbraw/zinc/93/73/42/982937342.db2.gz	COXVIEJJBWNZRR-ROUUACIJSA-N	1	0	359.474	1.278	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21	ZINC000331753771	982937519	/nfs/dbraw/zinc/93/75/19/982937519.db2.gz	COXVIEJJBWNZRR-QZTJIDSGSA-N	1	0	359.474	1.278	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCN(c3c(F)cccc3F)C1=O)C2	ZINC000884165753	982941475	/nfs/dbraw/zinc/94/14/75/982941475.db2.gz	NPBYSLRNWPGDAP-OTILFKORSA-N	1	0	374.391	1.326	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1	ZINC000859664532	982965288	/nfs/dbraw/zinc/96/52/88/982965288.db2.gz	DWIQWHFBAJEKCY-SJORKVTESA-N	1	0	369.425	1.656	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1cccc(CN3CCOCC3)c1)C2	ZINC000884199803	982975680	/nfs/dbraw/zinc/97/56/80/982975680.db2.gz	KJISWCWCAICSKB-GNZRSQJKSA-N	1	0	354.454	1.597	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NC[C@]3(C)CCCC[C@H]3O)=[NH+]C[C@H]2C1	ZINC000133964008	982980657	/nfs/dbraw/zinc/98/06/57/982980657.db2.gz	RQUUOZZYGPFKFA-KHYOSLBOSA-N	1	0	366.506	1.808	20	30		FDEDRO
CC1CC[NH+](C2CCC(NC(=O)C(=O)N3CCC(C#N)CC3)CC2)CC1	ZINC000332081753	982991732	/nfs/dbraw/zinc/99/17/32/982991732.db2.gz	MVXNOSNAZCXIGC-UHFFFAOYSA-N	1	0	360.502	1.908	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCN(c3cc(F)ccc3F)CC1)C2	ZINC000884221589	982995441	/nfs/dbraw/zinc/99/54/41/982995441.db2.gz	VNVBILOEMWCPCT-SHYRYGCCSA-N	1	0	360.408	1.753	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1	ZINC000884230416	983004140	/nfs/dbraw/zinc/00/41/40/983004140.db2.gz	RAASIQOQKAEVGM-WMZOPIPTSA-N	1	0	359.470	1.556	20	30		FDEDRO
CCOC(=O)CN(Cc1ccccc1)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884305975	983070261	/nfs/dbraw/zinc/07/02/61/983070261.db2.gz	OSKZWGFQOYHIEH-GNZRSQJKSA-N	1	0	355.438	1.718	20	30		FDEDRO
COc1ccc(N2C[C@H](NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CC2=O)cc1	ZINC000884402208	983139535	/nfs/dbraw/zinc/13/95/35/983139535.db2.gz	MZQARIDTRFQAEM-YCTJDYOESA-N	1	0	368.437	1.056	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)CC1	ZINC000134789717	983177310	/nfs/dbraw/zinc/17/73/10/983177310.db2.gz	DYOXUHNGFCZCKV-PMACEKPBSA-N	1	0	373.472	1.491	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)c1cccc(C#N)c1	ZINC000884617510	983279701	/nfs/dbraw/zinc/27/97/01/983279701.db2.gz	NICWRBOXNDGQLV-QRWLVFNGSA-N	1	0	354.454	1.728	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])c1	ZINC000653234266	1014968083	/nfs/dbraw/zinc/96/80/83/1014968083.db2.gz	IVOXHYZNBPIAFO-YOEHRIQHSA-N	1	0	365.499	1.740	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1	ZINC000861530418	983765314	/nfs/dbraw/zinc/76/53/14/983765314.db2.gz	YLXVRCNEEQRMAY-KDURUIRLSA-N	1	0	359.401	1.234	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1	ZINC000861530736	983765637	/nfs/dbraw/zinc/76/56/37/983765637.db2.gz	HHADKKOHVHYQGD-ZNOIYHFQSA-N	1	0	356.426	1.374	20	30		FDEDRO
C#C[C@@H](NC(=O)NCCOCCC[NH3+])c1ccc(Br)cc1	ZINC000861693006	983831561	/nfs/dbraw/zinc/83/15/61/983831561.db2.gz	NVRGFVIVMQDHPI-CQSZACIVSA-N	1	0	354.248	1.788	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)C(C)(C)c3ccc(C#N)cc3)CC2)C1=O	ZINC000861698257	983833742	/nfs/dbraw/zinc/83/37/42/983833742.db2.gz	MCEBGRDCJGDTSW-SFHVURJKSA-N	1	0	368.481	1.647	20	30		FDEDRO
C#CC[C@@]1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)CCCN1C(=O)OC(C)(C)C	ZINC000861911352	983989402	/nfs/dbraw/zinc/98/94/02/983989402.db2.gz	CUWLMBVPOVHSHO-ROYATCLZSA-N	1	0	361.486	1.798	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+](C)C1	ZINC000862031412	984065419	/nfs/dbraw/zinc/06/54/19/984065419.db2.gz	GKEJLBUGUABSCP-CQSZACIVSA-N	1	0	361.417	1.624	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1	ZINC000862194140	984230916	/nfs/dbraw/zinc/23/09/16/984230916.db2.gz	DWMHMDSIFZOSEP-MRXNPFEDSA-N	1	0	361.442	1.028	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+]C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C	ZINC000862311986	984322558	/nfs/dbraw/zinc/32/25/58/984322558.db2.gz	YABSSHQVSSQBTA-CYBMUJFWSA-N	1	0	362.492	1.549	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N[C@@H](C(=O)OCC)[C@@H](O)c1ccc(Cl)cc1	ZINC000862332501	984333882	/nfs/dbraw/zinc/33/38/82/984333882.db2.gz	JBESSZHCABCNQR-CABCVRRESA-N	1	0	354.834	1.539	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCOc3cc(N)ccc3C2)CC1	ZINC000884642333	984649863	/nfs/dbraw/zinc/64/98/63/984649863.db2.gz	GTAPMPPDDILVIU-UHFFFAOYSA-N	1	0	372.469	1.147	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2c3ccccc3NC2(C)C)CC1	ZINC000884642707	984649920	/nfs/dbraw/zinc/64/99/20/984649920.db2.gz	PJLNBLCMZSGXRK-KRWDZBQOSA-N	1	0	356.470	1.815	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(CCC#N)cc1	ZINC000884999933	985056106	/nfs/dbraw/zinc/05/61/06/985056106.db2.gz	GUANLMZAJHODQG-OAHLLOKOSA-N	1	0	350.488	1.057	20	30		FDEDRO
C[NH+](C)C1(CNS(=O)(=O)c2ccc(CCC#N)cc2)CCOCC1	ZINC000885012915	985070417	/nfs/dbraw/zinc/07/04/17/985070417.db2.gz	SVRRKZLNKJKYOU-UHFFFAOYSA-N	1	0	351.472	1.532	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1	ZINC000885861152	985710905	/nfs/dbraw/zinc/71/09/05/985710905.db2.gz	PEZUTMFBOBECGX-INIZCTEOSA-N	1	0	359.426	1.315	20	30		FDEDRO
C[C@@H](C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1)n1cnc(C#N)n1	ZINC000870187897	985782695	/nfs/dbraw/zinc/78/26/95/985782695.db2.gz	IFMHAMLROXTKNB-HNNXBMFYSA-N	1	0	352.442	1.491	20	30		FDEDRO
CS(=O)(=O)Nc1cccc2c1CC[N@H+](C[C@@H](O)CC1(C#N)CCC1)C2	ZINC000885965004	985804406	/nfs/dbraw/zinc/80/44/06/985804406.db2.gz	HXJUEEKHQHXFSJ-HNNXBMFYSA-N	1	0	363.483	1.861	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H](O)CC2(C#N)CCC2)CCN1C[C@@H](O)CC1(C#N)CCC1	ZINC000886048992	985849203	/nfs/dbraw/zinc/84/92/03/985849203.db2.gz	CPQXUXOOKKFUMI-QRVBRYPASA-N	1	0	374.529	1.882	20	30		FDEDRO
N#C[C@]12CN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C[C@@H]1CS(=O)(=O)C2	ZINC000886205733	985969126	/nfs/dbraw/zinc/96/91/26/985969126.db2.gz	WSBKYRPBPDROGU-HDMKZQKVSA-N	1	0	365.499	1.038	20	30		FDEDRO
CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)C[C@@H](O)CC2(C#N)CCC2)CC1	ZINC000886207781	985971415	/nfs/dbraw/zinc/97/14/15/985971415.db2.gz	MADCOUVZRFEDJO-RDJZCZTQSA-N	1	0	371.547	1.813	20	30		FDEDRO
C#CCN1CCC[C@H]([NH2+]Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)C1	ZINC000886212823	985978285	/nfs/dbraw/zinc/97/82/85/985978285.db2.gz	GIQNMVILYKNHSJ-AWEZNQCLSA-N	1	0	365.861	1.400	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)CCC1	ZINC000886231472	985982283	/nfs/dbraw/zinc/98/22/83/985982283.db2.gz	DWILBMCRGCGWCX-RDBSUJKOSA-N	1	0	359.392	1.774	20	30		FDEDRO
C#CC[C@@H]1CC[N@@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)C1	ZINC000886360634	986098227	/nfs/dbraw/zinc/09/82/27/986098227.db2.gz	YYPWAGMHENXDMY-CQSZACIVSA-N	1	0	357.410	1.841	20	30		FDEDRO
C#CCN(C(=O)c1cn(CCc2ccccc2)nn1)C1CC[NH+](C)CC1	ZINC000886575979	986375588	/nfs/dbraw/zinc/37/55/88/986375588.db2.gz	RZCRLHMDUGWIBP-UHFFFAOYSA-N	1	0	351.454	1.690	20	30		FDEDRO
C#CCN(C(=O)[C@H](C)c1ccc(S(C)(=O)=O)cc1)C1CC[NH+](C)CC1	ZINC000886579808	986381246	/nfs/dbraw/zinc/38/12/46/986381246.db2.gz	ITXOEOJDMFOVAT-OAHLLOKOSA-N	1	0	362.495	1.750	20	30		FDEDRO
C#CCN(C(=O)c1ccc(N2CCC(O)CC2)cc1)C1CC[NH+](C)CC1	ZINC000886581159	986383609	/nfs/dbraw/zinc/38/36/09/986383609.db2.gz	LJIKVPPBIFWDTL-UHFFFAOYSA-N	1	0	355.482	1.817	20	30		FDEDRO
C#CCN(C(=O)Cc1ccc(S(=O)(=O)CC)cc1)C1CC[NH+](C)CC1	ZINC000886581989	986385136	/nfs/dbraw/zinc/38/51/36/986385136.db2.gz	ARBSAGRFWOOCSN-UHFFFAOYSA-N	1	0	362.495	1.579	20	30		FDEDRO
C#CCN(C(=O)Cc1c(C)nc2c(c(C)nn2C)c1C)C1CC[NH+](C)CC1	ZINC000886583389	986387885	/nfs/dbraw/zinc/38/78/85/986387885.db2.gz	OMVDTQVTCIQYFI-UHFFFAOYSA-N	1	0	367.497	1.992	20	30		FDEDRO
C#CCN(C(=O)[C@H](C)NC(=O)OCc1ccccc1)C1CC[NH+](C)CC1	ZINC000886587096	986391618	/nfs/dbraw/zinc/39/16/18/986391618.db2.gz	GTBWXHWOEFFYCR-INIZCTEOSA-N	1	0	357.454	1.857	20	30		FDEDRO
C#CCN(C(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O)C1CC[NH+](C)CC1	ZINC000886587392	986393723	/nfs/dbraw/zinc/39/37/23/986393723.db2.gz	URUQXFOWSGRACS-MGPUTAFESA-N	1	0	374.485	1.043	20	30		FDEDRO
COC(=O)[C@@H](F)CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000889316088	986473601	/nfs/dbraw/zinc/47/36/01/986473601.db2.gz	GTIACGGOEZEXET-INIZCTEOSA-N	1	0	362.405	1.333	20	30		FDEDRO
C=CCC[C@H](COc1ccccc1)[NH2+]CCc1nnc2c(=O)n(C)ccn12	ZINC000886702073	986485172	/nfs/dbraw/zinc/48/51/72/986485172.db2.gz	ZUXUUGWESGCPIV-MRXNPFEDSA-N	1	0	367.453	1.974	20	30		FDEDRO
C=CCC1(O)CC[NH+](CC(=O)N2CCN(Cc3ccccc3)CC2)CC1	ZINC000886761952	986563565	/nfs/dbraw/zinc/56/35/65/986563565.db2.gz	OBSWYBPZZHWQJC-UHFFFAOYSA-N	1	0	357.498	1.734	20	30		FDEDRO
C=CCC1(O)CC[NH+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1	ZINC000886768950	986571568	/nfs/dbraw/zinc/57/15/68/986571568.db2.gz	MASKANLNOCFGIS-UHFFFAOYSA-N	1	0	361.461	1.877	20	30		FDEDRO
C=CCC1(O)CC[NH+]([C@H](C)C(=O)N2CCN(c3ccccn3)CC2)CC1	ZINC000886772094	986575956	/nfs/dbraw/zinc/57/59/56/986575956.db2.gz	SCWJTUSVIURDFY-QGZVFWFLSA-N	1	0	358.486	1.522	20	30		FDEDRO
N#Cc1cccc([C@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C(F)(F)F)c1	ZINC000871020544	986595123	/nfs/dbraw/zinc/59/51/23/986595123.db2.gz	XOAOBSZGBOGPST-ZFWWWQNUSA-N	1	0	368.359	1.536	20	30		FDEDRO
CSc1ccc(CNS(=O)(=O)N(C)C2CC[NH2+]CC2)cc1C#N	ZINC000886894393	986698385	/nfs/dbraw/zinc/69/83/85/986698385.db2.gz	MBEYKWZEHXLSGI-UHFFFAOYSA-N	1	0	354.501	1.298	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc1	ZINC000886931332	986745357	/nfs/dbraw/zinc/74/53/57/986745357.db2.gz	LZAYFFQKYSHUEK-CYBMUJFWSA-N	1	0	352.385	1.969	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c(C#N)c1	ZINC000871804688	987249337	/nfs/dbraw/zinc/24/93/37/987249337.db2.gz	FVCITWOXSZHAFP-UAGQMJEPSA-N	1	0	363.483	1.774	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1	ZINC000871804862	987249617	/nfs/dbraw/zinc/24/96/17/987249617.db2.gz	HTQURFGHLMWGFZ-IRXDYDNUSA-N	1	0	363.483	1.774	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c(C#N)c1	ZINC000871806267	987251415	/nfs/dbraw/zinc/25/14/15/987251415.db2.gz	ZXSJQHROWBAARO-SJLPKXTDSA-N	1	0	363.483	1.774	20	30		FDEDRO
N#Cc1ccc(NCC[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)nc1	ZINC000872198005	987509284	/nfs/dbraw/zinc/50/92/84/987509284.db2.gz	KYFSCOYATUTLDO-FQEVSTJZSA-N	1	0	351.454	1.592	20	30		FDEDRO
N#CCc1cccc(C(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1	ZINC000872253664	987543775	/nfs/dbraw/zinc/54/37/75/987543775.db2.gz	CWFVUZPLKNBFTR-SJORKVTESA-N	1	0	354.410	1.150	20	30		FDEDRO
Cc1c(NC(=S)NN=C2CCN(C)[C@@H]2C)c(=O)n(-c2ccccc2)n1C	ZINC000872328748	987605045	/nfs/dbraw/zinc/60/50/45/987605045.db2.gz	AZIZZSSEDNWYFB-GFCCVEGCSA-N	1	0	372.498	1.851	20	30		FDEDRO
CCN(CC)S(=O)(=O)c1ccc(N=NCC2CC[NH+](C)CC2)nc1	ZINC000872334017	987608910	/nfs/dbraw/zinc/60/89/10/987608910.db2.gz	ISMPLHCQPBNXAR-UHFFFAOYSA-N	1	0	353.492	1.852	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)NCC1(O)CC[NH+](C(C)C)CC1	ZINC000872463023	987686089	/nfs/dbraw/zinc/68/60/89/987686089.db2.gz	ZNOOHWOCCOXPBL-UHFFFAOYSA-N	1	0	351.472	1.380	20	30		FDEDRO
C#CCNC(=O)CC[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1	ZINC000292854309	987915187	/nfs/dbraw/zinc/91/51/87/987915187.db2.gz	QULYTKHXKYFMJZ-HNNXBMFYSA-N	1	0	360.433	1.799	20	30		FDEDRO
C[C@H](NC(=O)c1ccoc1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000298958305	987981053	/nfs/dbraw/zinc/98/10/53/987981053.db2.gz	BJNQZIMSLHPECJ-HNNXBMFYSA-N	1	0	368.437	1.860	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)CN(C[N@@H+]3CC[C@@H]4CSC[C@H]4C3)C2=O)cc1	ZINC000872721275	988006425	/nfs/dbraw/zinc/00/64/25/988006425.db2.gz	HGHOWCOLCDIASN-IAGOWNOFSA-N	1	0	370.478	1.965	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1	ZINC000299000788	988024212	/nfs/dbraw/zinc/02/42/12/988024212.db2.gz	HFULFGHMMSMWFX-LJQANCHMSA-N	1	0	368.481	1.873	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(OC)ccc1OC(F)F	ZINC000293305201	988024843	/nfs/dbraw/zinc/02/48/43/988024843.db2.gz	HUTCTICIAUBFFB-UHFFFAOYSA-N	1	0	369.368	1.306	20	30		FDEDRO
CC1CC[NH+](CCNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC1	ZINC000872838044	988157245	/nfs/dbraw/zinc/15/72/45/988157245.db2.gz	PDTSVLIBSBFPDX-UHFFFAOYSA-N	1	0	356.474	1.517	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000872885732	988235040	/nfs/dbraw/zinc/23/50/40/988235040.db2.gz	KZXFXURETGWPNS-QGZVFWFLSA-N	1	0	365.518	1.666	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@@H](C)NC(=O)/C=C/c1ccc(OC)cc1	ZINC000293923404	988260835	/nfs/dbraw/zinc/26/08/35/988260835.db2.gz	HENXGWJTBMWYGI-ONOODXEBSA-N	1	0	357.454	1.284	20	30		FDEDRO
Cc1ncc(CO)c(/C=N/c2ccc3oc(=O)n(CC[NH+](C)C)c3c2)c1O	ZINC000299332652	988333770	/nfs/dbraw/zinc/33/37/70/988333770.db2.gz	PSJKOWMRHRRYJZ-UFFVCSGVSA-N	1	0	370.409	1.808	20	30		FDEDRO
CN1CC[NH+](C[C@H]2CCCN(C(=O)C#Cc3ccc4c(c3)OCO4)C2)CC1	ZINC000366118388	988431120	/nfs/dbraw/zinc/43/11/20/988431120.db2.gz	HZUBKGZRAAYKJY-GOSISDBHSA-N	1	0	369.465	1.253	20	30		FDEDRO
CC(C)[NH+]1CCN(C2CCN(c3nccc(C#N)c3[N+](=O)[O-])CC2)CC1	ZINC000361794426	988517413	/nfs/dbraw/zinc/51/74/13/988517413.db2.gz	AXHBQAFBZNULJB-UHFFFAOYSA-N	1	0	358.446	1.856	20	30		FDEDRO
COc1cccc(-n2cc(C(=O)N(CCC#N)CCC[NH+](C)C)nn2)c1	ZINC000294740473	988533885	/nfs/dbraw/zinc/53/38/85/988533885.db2.gz	OHEORAZGYMKFFQ-UHFFFAOYSA-N	1	0	356.430	1.583	20	30		FDEDRO
CC1(C(=O)N2CCN(C(=O)CC#N)CC2)CC[NH+](Cc2ccccc2)CC1	ZINC000294873666	988557501	/nfs/dbraw/zinc/55/75/01/988557501.db2.gz	HTXQPNDGDIAHAH-UHFFFAOYSA-N	1	0	368.481	1.873	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c(F)c1	ZINC000873106152	988564033	/nfs/dbraw/zinc/56/40/33/988564033.db2.gz	FEPLLPIJSGYOJH-ZJUUUORDSA-N	1	0	358.295	1.231	20	30		FDEDRO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCN([C@H]2CCOC2)CC1	ZINC000362034537	988565759	/nfs/dbraw/zinc/56/57/59/988565759.db2.gz	YBXOVZIWWPYQAL-NNVNDSJASA-N	1	0	362.518	1.712	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1	ZINC000873106973	988566542	/nfs/dbraw/zinc/56/65/42/988566542.db2.gz	LFMDZZQABNRZOC-NEPJUHHUSA-N	1	0	354.332	1.401	20	30		FDEDRO
COC[C@]1(C(=O)OC)CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1	ZINC000295243707	988638765	/nfs/dbraw/zinc/63/87/65/988638765.db2.gz	YJOXYQUFNIGLIC-UZLBHIALSA-N	1	0	373.453	1.833	20	30		FDEDRO
C[C@@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000366369313	988652072	/nfs/dbraw/zinc/65/20/72/988652072.db2.gz	ACRMPMHESARUID-HNNXBMFYSA-N	1	0	352.442	1.834	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1	ZINC000366704440	988751678	/nfs/dbraw/zinc/75/16/78/988751678.db2.gz	RBJCAOCIBGADDR-LMMKCTJWSA-N	1	0	364.534	1.778	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)CN1CCC(CC[NH+]2CCOCC2)CC1	ZINC000362905099	988771721	/nfs/dbraw/zinc/77/17/21/988771721.db2.gz	IGPYWVPFEKCMNH-UHFFFAOYSA-N	1	0	361.490	1.077	20	30		FDEDRO
Cn1cc(-c2cccc(C[NH2+]CCNC(=O)C3N=CC=CC3=O)c2)cn1	ZINC000367170415	988939370	/nfs/dbraw/zinc/93/93/70/988939370.db2.gz	HUCMWNHFOMWZNH-HNENSFHCSA-N	1	0	351.410	1.703	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(C(=O)Cc3ccccc3)C2)CC1	ZINC000367409861	988948115	/nfs/dbraw/zinc/94/81/15/988948115.db2.gz	JWGVHSXPEMVKKQ-LJQANCHMSA-N	1	0	370.497	1.780	20	30		FDEDRO
C=CCN(CCC(=O)NCC(=O)OC)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000363185358	988977364	/nfs/dbraw/zinc/97/73/64/988977364.db2.gz	XDSVPSZKTKLCLZ-GOSISDBHSA-N	1	0	359.470	1.428	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)cc1	ZINC000363191312	988982717	/nfs/dbraw/zinc/98/27/17/988982717.db2.gz	VLQADDRVHOQDPP-IBGZPJMESA-N	1	0	368.481	1.899	20	30		FDEDRO
Cc1cc(F)c(C#N)cc1NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1	ZINC000873682218	988984314	/nfs/dbraw/zinc/98/43/14/988984314.db2.gz	VVTRSLPXAHKINQ-UHFFFAOYSA-N	1	0	358.417	1.935	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1C#N	ZINC000873688947	988995369	/nfs/dbraw/zinc/99/53/69/988995369.db2.gz	NMHAVLFJLXHCCB-CQSZACIVSA-N	1	0	358.442	1.744	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1C#N	ZINC000873689466	988996375	/nfs/dbraw/zinc/99/63/75/988996375.db2.gz	WWFDDYOCNZAUDG-SOUVJXGZSA-N	1	0	372.469	1.988	20	30		FDEDRO
CN1CC[NH+](CC2(C)CCN(CC(=O)N[C@](C)(C#N)C3CC3)CC2)CC1	ZINC000368822343	989010445	/nfs/dbraw/zinc/01/04/45/989010445.db2.gz	FCAGCECROPJRNF-HXUWFJFHSA-N	1	0	361.534	1.144	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)CC1	ZINC000369758263	989149771	/nfs/dbraw/zinc/14/97/71/989149771.db2.gz	VRSJSFYNRHFUEM-OAQYLSRUSA-N	1	0	369.509	1.881	20	30		FDEDRO
C[C@H](C(=O)Nc1ccccc1C#N)N1CCN([C@H]2CCC[N@H+](C)C2)CC1	ZINC000363417490	989179560	/nfs/dbraw/zinc/17/95/60/989179560.db2.gz	IWIPHEIGVPEPPE-AEFFLSMTSA-N	1	0	355.486	1.597	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1C#N	ZINC000873821125	989254906	/nfs/dbraw/zinc/25/49/06/989254906.db2.gz	DYXJTBGDFURESH-MRXNPFEDSA-N	1	0	356.426	1.592	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)C(=O)Nc1cccc(C#N)c1	ZINC000363539595	989278661	/nfs/dbraw/zinc/27/86/61/989278661.db2.gz	MQGGOASMQWPLLO-OLMNPRSZSA-N	1	0	370.453	1.502	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@@H]2CCCN(c3ccccc3OC)C2=O)CC1	ZINC000363543853	989286332	/nfs/dbraw/zinc/28/63/32/989286332.db2.gz	GHERTKPTEMKUIF-GOSISDBHSA-N	1	0	369.465	1.652	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C2CCN(c3nccc(OC)n3)CC2)CC1	ZINC000363580084	989320773	/nfs/dbraw/zinc/32/07/73/989320773.db2.gz	KJGBHCOXZPITHW-UHFFFAOYSA-N	1	0	359.474	1.468	20	30		FDEDRO
Cn1cc([C@@H]2[C@@H](CNc3nccc(C#N)c3[N+](=O)[O-])CCC[N@@H+]2C)cn1	ZINC000363885844	989455342	/nfs/dbraw/zinc/45/53/42/989455342.db2.gz	AHCVSERNSMXHJD-HIFRSBDPSA-N	1	0	355.402	2.090	20	30		FDEDRO
Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC000873947270	989508376	/nfs/dbraw/zinc/50/83/76/989508376.db2.gz	GVGLJKJQVIAUMN-HNNXBMFYSA-N	1	0	374.416	1.002	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[N@@H+]1CCCN(CC(=O)NC(C)C)CC1	ZINC000364251769	989522536	/nfs/dbraw/zinc/52/25/36/989522536.db2.gz	GJFDOFHLLISHAC-UHFFFAOYSA-N	1	0	374.485	1.478	20	30		FDEDRO
N#Cc1ccc(CN2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)cc1	ZINC000370611868	989896978	/nfs/dbraw/zinc/89/69/78/989896978.db2.gz	FONPDNCRNDDCDX-FQEVSTJZSA-N	1	0	352.482	1.934	20	30		FDEDRO
CC(C)CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(C#N)cn1	ZINC000874216744	989945938	/nfs/dbraw/zinc/94/59/38/989945938.db2.gz	QOYZNXFJKSXTBM-UHFFFAOYSA-N	1	0	357.458	1.718	20	30		FDEDRO
N#Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CC[C@H](C4CCOCC4)C3)C2=O)cc1	ZINC000365035893	989975049	/nfs/dbraw/zinc/97/50/49/989975049.db2.gz	KGJSHSMZNCOFOU-FUHWJXTLSA-N	1	0	353.422	1.939	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)C1CC[NH+](C)CC1	ZINC000298300786	990023532	/nfs/dbraw/zinc/02/35/32/990023532.db2.gz	LQFOEEIDAFAVEP-UHFFFAOYSA-N	1	0	354.458	1.703	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21	ZINC000298569122	990163371	/nfs/dbraw/zinc/16/33/71/990163371.db2.gz	HESQLPHAPHDSEH-ROUUACIJSA-N	1	0	354.454	1.459	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000371027522	990190267	/nfs/dbraw/zinc/19/02/67/990190267.db2.gz	ITGFKKNKHIFILX-QGZVFWFLSA-N	1	0	359.470	1.388	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2	ZINC000874589207	990397953	/nfs/dbraw/zinc/39/79/53/990397953.db2.gz	ZOEKVVCNTUXWHO-QAETUUGQSA-N	1	0	361.486	1.988	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c1	ZINC000874847975	990576586	/nfs/dbraw/zinc/57/65/86/990576586.db2.gz	QTDHIEUJIYENHK-IAGOWNOFSA-N	1	0	363.483	1.460	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2CC)CC1	ZINC000964591109	1015573069	/nfs/dbraw/zinc/57/30/69/1015573069.db2.gz	SGFLBWUSSFOXCJ-BHIYHBOVSA-N	1	0	359.514	1.875	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000874994224	990694229	/nfs/dbraw/zinc/69/42/29/990694229.db2.gz	MYTZFVSRGRWMJC-QGZVFWFLSA-N	1	0	351.491	1.749	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1	ZINC000874994486	990695728	/nfs/dbraw/zinc/69/57/28/990695728.db2.gz	PFDNLFOEAMPTIZ-MSOLQXFVSA-N	1	0	357.454	1.094	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1	ZINC000875011304	990725897	/nfs/dbraw/zinc/72/58/97/990725897.db2.gz	OXUAIWKUNSILOG-LJQANCHMSA-N	1	0	371.481	1.443	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1	ZINC000371844060	990771227	/nfs/dbraw/zinc/77/12/27/990771227.db2.gz	IANIQRDTQQJVFZ-SFHVURJKSA-N	1	0	373.501	1.563	20	30		FDEDRO
CC(C)[C@H](CNC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1)[NH+]1CCN(C)CC1	ZINC000875048678	990790963	/nfs/dbraw/zinc/79/09/63/990790963.db2.gz	VMBDFUGIYIMARH-UXHICEINSA-N	1	0	369.513	1.597	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1	ZINC000875095521	990882998	/nfs/dbraw/zinc/88/29/98/990882998.db2.gz	BNDQLSNIRMFMID-INIZCTEOSA-N	1	0	352.523	1.095	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1	ZINC000875122768	990927312	/nfs/dbraw/zinc/92/73/12/990927312.db2.gz	OSQPQGXBJRWNLV-CGTJXYLNSA-N	1	0	357.454	1.093	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1	ZINC000875123213	990928079	/nfs/dbraw/zinc/92/80/79/990928079.db2.gz	RWCIVHLMLDZXPP-QRQLOZEOSA-N	1	0	371.481	1.483	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1	ZINC000875123270	990928171	/nfs/dbraw/zinc/92/81/71/990928171.db2.gz	SRBBKJSZNKDDQA-QBPKDAKJSA-N	1	0	351.491	1.014	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](c3nc(C)cs3)C2)CC1	ZINC000875182819	991022370	/nfs/dbraw/zinc/02/23/70/991022370.db2.gz	ZXQQAYCFKUXGQP-CQSZACIVSA-N	1	0	362.499	1.534	20	30		FDEDRO
N#CCN1CCC(NC(=O)N2CC3(C2)C[NH+](Cc2ccccc2)C3)CC1	ZINC000875254040	991201358	/nfs/dbraw/zinc/20/13/58/991201358.db2.gz	RDSUFDQLFCJJAI-UHFFFAOYSA-N	1	0	353.470	1.502	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000875267960	991227699	/nfs/dbraw/zinc/22/76/99/991227699.db2.gz	BOQKVPPMRBRQTN-QRQLOZEOSA-N	1	0	371.481	1.168	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)C1CCN(Cc2ccncc2)CC1	ZINC000372581556	991243204	/nfs/dbraw/zinc/24/32/04/991243204.db2.gz	DNYZWDPUEUFGFL-QGZVFWFLSA-N	1	0	357.502	1.986	20	30		FDEDRO
Cc1oc(NC(=O)[C@@H](C)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c(C#N)c1C	ZINC000372607786	991265709	/nfs/dbraw/zinc/26/57/09/991265709.db2.gz	WAYWOIPSULRQGI-NVXWUHKLSA-N	1	0	373.501	1.807	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1	ZINC000875295670	991276550	/nfs/dbraw/zinc/27/65/50/991276550.db2.gz	OEYMONDUMBWYFR-UHOSZYNNSA-N	1	0	371.481	1.310	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N1CCC(C)([NH+]2CCCCC2)CC1)[C@H]1CCCO1	ZINC000875325047	991321228	/nfs/dbraw/zinc/32/12/28/991321228.db2.gz	OLFJBUXGYJNDHA-DLBZAZTESA-N	1	0	361.486	1.150	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1	ZINC000875347616	991368031	/nfs/dbraw/zinc/36/80/31/991368031.db2.gz	SAYLTSYJUVLEOV-IBGZPJMESA-N	1	0	373.497	1.871	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1	ZINC000410501659	991502337	/nfs/dbraw/zinc/50/23/37/991502337.db2.gz	DMJDXJQUNRRFKN-UHFFFAOYSA-N	1	0	372.513	1.297	20	30		FDEDRO
C[NH+](C)C1(C)CCC(NC(=O)C(=O)NCc2ccc(CC#N)cc2)CC1	ZINC000875433294	991534391	/nfs/dbraw/zinc/53/43/91/991534391.db2.gz	NYHXEXRIHBMWBJ-UHFFFAOYSA-N	1	0	356.470	1.748	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1	ZINC000875558089	991732844	/nfs/dbraw/zinc/73/28/44/991732844.db2.gz	QQCLGWOGXCNUPH-HZPDHXFCSA-N	1	0	353.426	1.974	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)Cc2ccc(C#N)cc2)C[C@@H]1C	ZINC000410736916	991750115	/nfs/dbraw/zinc/75/01/15/991750115.db2.gz	PWXXWXCAVBBMID-YJBOKZPZSA-N	1	0	356.470	1.848	20	30		FDEDRO
N#Cc1cnc2ccccc2c1N1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1	ZINC000372994139	991750824	/nfs/dbraw/zinc/75/08/24/991750824.db2.gz	ARLWCAFAIMOOFA-INIZCTEOSA-N	1	0	370.478	1.852	20	30		FDEDRO
C#C[C@H](NC(=O)NCC[N@H+]1CC[C@@H](O)C1)c1ccc(Br)cc1	ZINC000875724520	991948742	/nfs/dbraw/zinc/94/87/42/991948742.db2.gz	FJIDSRLWTVJMBL-CABCVRRESA-N	1	0	366.259	1.489	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2)C1CCOCC1	ZINC000875748451	991969411	/nfs/dbraw/zinc/96/94/11/991969411.db2.gz	NHMVLYLOLJJZLN-LJQANCHMSA-N	1	0	353.466	1.942	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1	ZINC000875766123	991981076	/nfs/dbraw/zinc/98/10/76/991981076.db2.gz	JDGPEPNZWIYPPJ-AWEZNQCLSA-N	1	0	372.307	1.925	20	30		FDEDRO
COC(=O)C1=CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000875806084	992017433	/nfs/dbraw/zinc/01/74/33/992017433.db2.gz	WCWQZIWGJNPKNX-GOSISDBHSA-N	1	0	370.453	1.893	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)N1CCN(Cc2ccccc2OC)CC1	ZINC000875919749	992191084	/nfs/dbraw/zinc/19/10/84/992191084.db2.gz	OEZFAKOJVTYRKP-SFHVURJKSA-N	1	0	359.470	1.951	20	30		FDEDRO
C#CCN(C(=O)NCCC1CC[NH+](C(C)C)CC1)[C@H]1CCS(=O)(=O)C1	ZINC000876030625	992258155	/nfs/dbraw/zinc/25/81/55/992258155.db2.gz	LDRJWWGYFNMHFR-KRWDZBQOSA-N	1	0	369.531	1.329	20	30		FDEDRO
C#CCN(C(=O)NC1CCC(C)([NH+](C)C)CC1)[C@H]1CCS(=O)(=O)C1	ZINC000876110209	992315608	/nfs/dbraw/zinc/31/56/08/992315608.db2.gz	IFTYPMZWDQZRBO-CKDBGZEDSA-N	1	0	355.504	1.081	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCN(CC(=O)N(C)C3(C#N)CCCCC3)CC2)CCO1	ZINC000373919185	992517665	/nfs/dbraw/zinc/51/76/65/992517665.db2.gz	BPQZCACPMSHMRN-KRWDZBQOSA-N	1	0	362.518	1.856	20	30		FDEDRO
C=CC[N@@H+](C)CCN(CC)[C@@H](C)C(=O)N1CCN(c2ccccn2)CC1	ZINC000411639090	992531775	/nfs/dbraw/zinc/53/17/75/992531775.db2.gz	ILDMBIHZDUGBBR-SFHVURJKSA-N	1	0	359.518	1.558	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2CCOC[C@]2(COC)C[NH+](C)C)cc1	ZINC000876474154	992643149	/nfs/dbraw/zinc/64/31/49/992643149.db2.gz	ABJGMWOMQLVRSO-HXUWFJFHSA-N	1	0	362.470	1.600	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)[C@@]2(C#N)CCc3ccccc3C2)CC1(C)C	ZINC000374205008	992689046	/nfs/dbraw/zinc/68/90/46/992689046.db2.gz	MSFADTICLKRPEE-NRFANRHFSA-N	1	0	354.498	1.827	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)c(OC)c1	ZINC000411936571	992713376	/nfs/dbraw/zinc/71/33/76/992713376.db2.gz	LSOLWDLIGHLFJU-IRXDYDNUSA-N	1	0	362.470	1.574	20	30		FDEDRO
CCCCNC(=O)C1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876594044	992727303	/nfs/dbraw/zinc/72/73/03/992727303.db2.gz	KODBGZPCJOJVKV-IBGZPJMESA-N	1	0	368.481	1.900	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1	ZINC000876597615	992730437	/nfs/dbraw/zinc/73/04/37/992730437.db2.gz	ICFXLXAJCXDJBV-HNNXBMFYSA-N	1	0	369.824	1.345	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C(=O)N(C)C)C1	ZINC000411950866	992734437	/nfs/dbraw/zinc/73/44/37/992734437.db2.gz	WSPWZGUUQCUCMU-CVEARBPZSA-N	1	0	372.469	1.740	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1	ZINC000876706299	992811659	/nfs/dbraw/zinc/81/16/59/992811659.db2.gz	NKWOLAQDIYFXRZ-OXJNMPFZSA-N	1	0	366.465	1.795	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1	ZINC000876739591	992858086	/nfs/dbraw/zinc/85/80/86/992858086.db2.gz	DEWQNBFNNMAIBC-CVEARBPZSA-N	1	0	355.841	1.785	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccccc1N1CCN(C(C)=O)CC1	ZINC000876748207	992868116	/nfs/dbraw/zinc/86/81/16/992868116.db2.gz	YHBZZIIXTYPPJV-MRXNPFEDSA-N	1	0	364.877	1.441	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1	ZINC000876756895	992878545	/nfs/dbraw/zinc/87/85/45/992878545.db2.gz	ZMTVYDCGMHVAIX-MRXNPFEDSA-N	1	0	370.925	1.297	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCC[NH2+]CC2)s1	ZINC000876824254	992929217	/nfs/dbraw/zinc/92/92/17/992929217.db2.gz	ZBXMXCRADATABL-LBPRGKRZSA-N	1	0	357.501	1.013	20	30		FDEDRO
CC(C)(C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C#N)cc1	ZINC000876841310	992933616	/nfs/dbraw/zinc/93/36/16/992933616.db2.gz	OTHOEZHOJQYLEW-HNNXBMFYSA-N	1	0	368.403	1.788	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCCC[C@H]([NH3+])C2)s1	ZINC000877125618	993061226	/nfs/dbraw/zinc/06/12/26/993061226.db2.gz	QUNMLTQUWOZWPY-ZDUSSCGKSA-N	1	0	371.528	1.485	20	30		FDEDRO
Cc1cc(N2CCCN(CC(=O)N3CCCC3)CC2)c(C#N)cc1[N+](=O)[O-]	ZINC000413051812	993062297	/nfs/dbraw/zinc/06/22/97/993062297.db2.gz	XDZLMYSCYMOBPJ-UHFFFAOYSA-N	1	0	371.441	1.909	20	30		FDEDRO
CCN1C[C@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)CC[C@H]2S1(=O)=O	ZINC001137116983	993065174	/nfs/dbraw/zinc/06/51/74/993065174.db2.gz	XKLWZTMVASAJQI-SJLPKXTDSA-N	1	0	363.483	1.835	20	30		FDEDRO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@](O)(c1nccn1C)C(F)(F)F	ZINC000877148480	993072402	/nfs/dbraw/zinc/07/24/02/993072402.db2.gz	MDLJRUCNIGVRPT-WFASDCNBSA-N	1	0	360.380	1.859	20	30		FDEDRO
COC[C@@]1(C(=O)NC2CCN(c3ccccc3C#N)CC2)CCCC[NH2+]1	ZINC000877177049	993089373	/nfs/dbraw/zinc/08/93/73/993089373.db2.gz	XVSCFOHVSVFPLS-HXUWFJFHSA-N	1	0	356.470	1.802	20	30		FDEDRO
CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1cc(C#N)cnc1Cl	ZINC000877518553	993317081	/nfs/dbraw/zinc/31/70/81/993317081.db2.gz	STRJUTBVTFUSIR-JSGCOSHPSA-N	1	0	356.879	1.804	20	30		FDEDRO
C=C(Cl)C[C@@H](NC1CC[NH+](CCN2CCOCC2)CC1)C(=O)OCC	ZINC000877672024	993429336	/nfs/dbraw/zinc/42/93/36/993429336.db2.gz	UTMLAJFBECLOOK-QGZVFWFLSA-N	1	0	373.925	1.447	20	30		FDEDRO
CC(=O)[C@@](C#N)(CC[NH+]1CCC(N2CCNC2=O)CC1)c1ccccc1	ZINC000877976028	993585805	/nfs/dbraw/zinc/58/58/05/993585805.db2.gz	KLORRFHECQJWQP-FQEVSTJZSA-N	1	0	354.454	1.917	20	30		FDEDRO
C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[C@H](C(=O)N4CCCC4)O3)C2)C1	ZINC000965035636	1015795393	/nfs/dbraw/zinc/79/53/93/1015795393.db2.gz	QRNVQFXWBMJLFW-IHRTYXHKSA-N	1	0	361.486	1.359	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H](O)CC1(CO)CCCC1	ZINC000878186022	993772468	/nfs/dbraw/zinc/77/24/68/993772468.db2.gz	QMYHQKBDVJLERE-HZPDHXFCSA-N	1	0	359.474	1.162	20	30		FDEDRO
C=CC[C@H](C(=O)OC)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000878606670	994056784	/nfs/dbraw/zinc/05/67/84/994056784.db2.gz	NONKHYASVHPMBX-WOJBJXKFSA-N	1	0	357.498	1.996	20	30		FDEDRO
COC(=O)C1(C#N)CCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000878676110	994107991	/nfs/dbraw/zinc/10/79/91/994107991.db2.gz	OGSVBSXRNXTULQ-FQEVSTJZSA-N	1	0	357.454	1.402	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1ncnn1CC)C2	ZINC000965142083	1015858676	/nfs/dbraw/zinc/85/86/76/1015858676.db2.gz	UKANIRJDGWZXJH-NFIWUILVSA-N	1	0	359.474	1.406	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000879208518	994636201	/nfs/dbraw/zinc/63/62/01/994636201.db2.gz	YDBKQZMYHCTULD-UHFFFAOYSA-N	1	0	357.458	1.811	20	30		FDEDRO
COc1cccc(CN2CC[NH+](C[C@H](O)CC3(C#N)CCOCC3)CC2)c1	ZINC000879447494	994920327	/nfs/dbraw/zinc/92/03/27/994920327.db2.gz	CEVTYZXDNHIUJM-LJQANCHMSA-N	1	0	373.497	1.884	20	30		FDEDRO
COc1cccc([C@@H]2CN(C[C@@H](O)COc3ccccc3C#N)CC[NH2+]2)c1	ZINC000879523111	994976194	/nfs/dbraw/zinc/97/61/94/994976194.db2.gz	UCEUZMVCIUPVEY-QUCCMNQESA-N	1	0	367.449	1.953	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CC[NH+](C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000879591023	995056897	/nfs/dbraw/zinc/05/68/97/995056897.db2.gz	OVJFPTPZXWDUFK-FQEVSTJZSA-N	1	0	368.412	1.192	20	30		FDEDRO
C#CCC1(NC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CCOCC1	ZINC000888780098	995126123	/nfs/dbraw/zinc/12/61/23/995126123.db2.gz	IDAGHNRDGPOBBA-IBGZPJMESA-N	1	0	371.481	1.625	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@@H](Cc2ccccc2)C(=O)OC)CC1	ZINC000924958081	995183500	/nfs/dbraw/zinc/18/35/00/995183500.db2.gz	FGKLSWBBZHHKQE-QGZVFWFLSA-N	1	0	357.454	1.415	20	30		FDEDRO
CC(=O)[C@](C#N)(CC[NH+]1CCC(c2nnnn2C)CC1)c1ccccc1	ZINC000879917559	995388216	/nfs/dbraw/zinc/38/82/16/995388216.db2.gz	URXKPIUASAJWPX-LJQANCHMSA-N	1	0	352.442	1.830	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](C(C)(C)O)C2)CC1	ZINC000879963827	995477097	/nfs/dbraw/zinc/47/70/97/995477097.db2.gz	PVTPDJKZHJVHSQ-IAGOWNOFSA-N	1	0	350.507	1.162	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)cc1	ZINC000925314914	995483091	/nfs/dbraw/zinc/48/30/91/995483091.db2.gz	FQBLNHSLSWXQLK-CZUORRHYSA-N	1	0	366.487	1.707	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CC[N@@H+]2C)cc1	ZINC000925405700	995567585	/nfs/dbraw/zinc/56/75/85/995567585.db2.gz	YZIZBEUDIMQPFS-CQSZACIVSA-N	1	0	352.460	1.319	20	30		FDEDRO
CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1	ZINC000128177339	995609802	/nfs/dbraw/zinc/60/98/02/995609802.db2.gz	FUPLWQLDCVLOCQ-HNNXBMFYSA-N	1	0	371.485	1.964	20	30		FDEDRO
COc1cc(C#N)ccc1CN1CCC(C(N)=O)([NH+]2CCCCC2)CC1	ZINC000880254119	995758735	/nfs/dbraw/zinc/75/87/35/995758735.db2.gz	NNFXRYUTOSLJND-UHFFFAOYSA-N	1	0	356.470	1.873	20	30		FDEDRO
C[N@@H+]1CCN(CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1(C)C	ZINC000880278028	995778968	/nfs/dbraw/zinc/77/89/68/995778968.db2.gz	ZJAZKOOCRNVXTO-CQSZACIVSA-N	1	0	353.426	1.538	20	30		FDEDRO
CON=Cc1ccc(C(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1	ZINC000926190686	995970150	/nfs/dbraw/zinc/97/01/50/995970150.db2.gz	YXQZSDASSCURRI-XSYGEPLQSA-N	1	0	359.470	1.876	20	30		FDEDRO
C=CC[C@@H](CO)NC(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1	ZINC000926786893	996302675	/nfs/dbraw/zinc/30/26/75/996302675.db2.gz	LBLYXGJVXXMENJ-SFHVURJKSA-N	1	0	361.486	1.904	20	30		FDEDRO
CCO[C@@H](CNC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)C[NH+](C)C	ZINC000926835433	996331543	/nfs/dbraw/zinc/33/15/43/996331543.db2.gz	COPHNNRKZNXZSK-ROUUACIJSA-N	1	0	360.458	1.608	20	30		FDEDRO
N#Cc1ccc2c(c1)[C@@H]([NH2+]CC(=O)NCC(=O)NCc1ccccc1)CC2	ZINC000926962889	996374177	/nfs/dbraw/zinc/37/41/77/996374177.db2.gz	CFJJHXNGUOMBEA-IBGZPJMESA-N	1	0	362.433	1.568	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)cc1	ZINC000887037758	996857074	/nfs/dbraw/zinc/85/70/74/996857074.db2.gz	CPNKCEIMNMZDGH-FQEVSTJZSA-N	1	0	355.438	1.629	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)NCc2ccc(NC(=O)OC)cc2)CCOCC1	ZINC000887123633	996954393	/nfs/dbraw/zinc/95/43/93/996954393.db2.gz	XWYORBQQJDPSMA-UHFFFAOYSA-N	1	0	359.426	1.643	20	30		FDEDRO
N#Cc1ccc(Cn2cc(CN3CCC[C@H]([NH3+])C3)nn2)c(OC(F)F)c1	ZINC000887444834	997277751	/nfs/dbraw/zinc/27/77/51/997277751.db2.gz	QYMFERQADKZNNR-AWEZNQCLSA-N	1	0	362.384	1.723	20	30		FDEDRO
C=C(C)[C@H](CO)n1cc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)nn1	ZINC000887444756	997277953	/nfs/dbraw/zinc/27/79/53/997277953.db2.gz	OXNDEKURDVBKQO-INIZCTEOSA-N	1	0	365.478	1.877	20	30		FDEDRO
CC(C)[NH+](CCNC(=O)C1CCN(c2nccnc2C#N)CC1)C(C)C	ZINC000263910199	997348109	/nfs/dbraw/zinc/34/81/09/997348109.db2.gz	RWHQPLJNKUSHBI-UHFFFAOYSA-N	1	0	358.490	1.800	20	30		FDEDRO
[NH2+]=C(NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1)NC1CCCC1	ZINC000264065701	997393008	/nfs/dbraw/zinc/39/30/08/997393008.db2.gz	BDCRULBURAPMCX-KRWDZBQOSA-N	1	0	374.485	1.708	20	30		FDEDRO
CCN(CC)C(=[NH2+])NCc1ccccc1OCC(=O)NC[C@H]1CCCO1	ZINC000264063433	997393046	/nfs/dbraw/zinc/39/30/46/997393046.db2.gz	AEQAGZMOSYQHDG-MRXNPFEDSA-N	1	0	362.474	1.517	20	30		FDEDRO
[NH2+]=C(NCCCCOCCc1ccccc1)NCCCN1CCOCC1	ZINC000264063428	997393502	/nfs/dbraw/zinc/39/35/02/997393502.db2.gz	AELHCLPDYZNQOL-UHFFFAOYSA-N	1	0	362.518	1.653	20	30		FDEDRO
CCOC(=O)c1ccc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)cc1	ZINC000264088733	997399290	/nfs/dbraw/zinc/39/92/90/997399290.db2.gz	KFPZEHKLJYYJRO-UHFFFAOYSA-N	1	0	368.441	1.290	20	30		FDEDRO
COCCOc1ccc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)cc1	ZINC000264128408	997407299	/nfs/dbraw/zinc/40/72/99/997407299.db2.gz	XCNQQMSNMLHUHL-UHFFFAOYSA-N	1	0	370.457	1.139	20	30		FDEDRO
[NH2+]=C(NCCCCOc1ccc(F)cc1)N1CCN(c2ncccn2)CC1	ZINC000264139062	997411697	/nfs/dbraw/zinc/41/16/97/997411697.db2.gz	WAGZULFJORERQO-UHFFFAOYSA-N	1	0	372.448	1.912	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCCCN2CCOCC2)c(C(F)(F)F)c1	ZINC000264240010	997435034	/nfs/dbraw/zinc/43/50/34/997435034.db2.gz	DXLGMBDEPPNPJS-UHFFFAOYSA-N	1	0	374.407	1.841	20	30		FDEDRO
CC[N@@H+]1CCCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1	ZINC000264629782	997559351	/nfs/dbraw/zinc/55/93/51/997559351.db2.gz	NOSDEIWYLKUNFY-UHFFFAOYSA-N	1	0	354.458	1.705	20	30		FDEDRO
C[NH+](C)[C@@H]1CCCN(CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1	ZINC000264766471	997599519	/nfs/dbraw/zinc/59/95/19/997599519.db2.gz	ZRBKZVOUJFBYSJ-HIFRSBDPSA-N	1	0	353.426	1.538	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(CCC(=O)N2CCO[C@@](C)(C#N)C2)CC1	ZINC000887678743	997640896	/nfs/dbraw/zinc/64/08/96/997640896.db2.gz	ISZKVUSWOHFGLC-SFHVURJKSA-N	1	0	366.462	1.070	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC(=O)NCCNC(=O)C1N=CC=CC1=O)C(C)(C)C	ZINC000265233096	997725814	/nfs/dbraw/zinc/72/58/14/997725814.db2.gz	DEHDVWNWWGRVAN-PQDJCJPTSA-N	1	0	365.478	1.178	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1	ZINC000265234970	997726387	/nfs/dbraw/zinc/72/63/87/997726387.db2.gz	ZATNBNVLJKHCQV-LJQANCHMSA-N	1	0	370.497	1.620	20	30		FDEDRO
C[NH+]=C(NCCC(=O)N1CCN(c2ccccn2)CC1)NCc1ccco1	ZINC000103338134	998141570	/nfs/dbraw/zinc/14/15/70/998141570.db2.gz	UWPQUXYAWDVUJM-UHFFFAOYSA-N	1	0	370.457	1.079	20	30		FDEDRO
CC(C)[NH+]1CCN(C2CCN(C(=O)Nc3ccc(C#N)cn3)CC2)CC1	ZINC000889230337	998235272	/nfs/dbraw/zinc/23/52/72/998235272.db2.gz	VWXUHTVIEZXDDJ-UHFFFAOYSA-N	1	0	356.474	1.976	20	30		FDEDRO
C[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccc(C3CC3)c(C#N)c2)CC1	ZINC000889777147	998648756	/nfs/dbraw/zinc/64/87/56/998648756.db2.gz	WAAAXSQHCUSZGY-UHFFFAOYSA-N	1	0	369.469	1.128	20	30		FDEDRO
CC[NH+](CC)CC1CCN(C(=O)C(=O)Nc2cccc(CC#N)n2)CC1	ZINC000889844337	998701128	/nfs/dbraw/zinc/70/11/28/998701128.db2.gz	TXNXELXVXVELFO-UHFFFAOYSA-N	1	0	357.458	1.667	20	30		FDEDRO
C[C@H]1CCC[C@](CNC(=O)C(=O)Nc2cccc(CC#N)n2)([NH+](C)C)C1	ZINC000889860501	998709458	/nfs/dbraw/zinc/70/94/58/998709458.db2.gz	PGJJJHWMPABFEX-LIRRHRJNSA-N	1	0	357.458	1.713	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1	ZINC000890028948	998782717	/nfs/dbraw/zinc/78/27/17/998782717.db2.gz	PDCFPNBZVYQDKJ-YOEHRIQHSA-N	1	0	367.453	1.561	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)Nc1cccc(CC#N)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000890077764	998806734	/nfs/dbraw/zinc/80/67/34/998806734.db2.gz	WXXDWIINRLFFAO-HUUCEWRRSA-N	1	0	369.469	1.855	20	30		FDEDRO
C=CCC1(NC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CCCC1	ZINC000890130701	998832646	/nfs/dbraw/zinc/83/26/46/998832646.db2.gz	YXADRNYABVEGDW-GOSISDBHSA-N	1	0	364.534	1.971	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C2CC2)c(C#N)c1	ZINC000890286189	998891727	/nfs/dbraw/zinc/89/17/27/998891727.db2.gz	MWPBZQHUYWNNPF-UHFFFAOYSA-N	1	0	371.485	1.374	20	30		FDEDRO
CSc1ccc(CNC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cc1C#N	ZINC000890451068	998948468	/nfs/dbraw/zinc/94/84/68/998948468.db2.gz	SOONGJJULKCSPK-KBPBESRZSA-N	1	0	362.499	1.877	20	30		FDEDRO
CSc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cc1C#N	ZINC000890450553	998948604	/nfs/dbraw/zinc/94/86/04/998948604.db2.gz	CVKXDXMTQZFCFO-INIZCTEOSA-N	1	0	362.499	1.926	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N(CC)CC	ZINC001110863331	999072307	/nfs/dbraw/zinc/07/23/07/999072307.db2.gz	DUWASMDHGGUXTI-WWNBULGVSA-N	1	0	365.518	1.805	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)N[C@H](C)C2CC2)cc1	ZINC001110884227	999112075	/nfs/dbraw/zinc/11/20/75/999112075.db2.gz	VHMGSWYWHLLDRL-DMSXTEQDSA-N	1	0	365.477	1.918	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)cc1C#N	ZINC000266227316	999132919	/nfs/dbraw/zinc/13/29/19/999132919.db2.gz	SVCIQTMIVOOBAS-HNNXBMFYSA-N	1	0	356.378	1.825	20	30		FDEDRO
CC[N@H+](C)C[C@@H]1CCN(CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1	ZINC000266600886	999198200	/nfs/dbraw/zinc/19/82/00/999198200.db2.gz	DLKDITIGJCCKOI-HOCLYGCPSA-N	1	0	367.453	1.785	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OCCOC)cc2)CC1	ZINC000266688175	999213731	/nfs/dbraw/zinc/21/37/31/999213731.db2.gz	LKXFKUZEAGOXAQ-UHFFFAOYSA-N	1	0	361.442	1.417	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1CCN(c2ccccc2OCC[NH+](C)C)CC1	ZINC000266937997	999270650	/nfs/dbraw/zinc/27/06/50/999270650.db2.gz	QLBMDTAOPGHHJU-QGZVFWFLSA-N	1	0	360.502	1.440	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NC[C@@H](O)c2cc(OC)cc(OC)c2)cc1	ZINC000267437499	999335555	/nfs/dbraw/zinc/33/55/55/999335555.db2.gz	OBSSCRHIKXABLK-LJQANCHMSA-N	1	0	373.453	1.893	20	30		FDEDRO
COc1ccccc1/C=N/OCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1	ZINC000267448026	999338671	/nfs/dbraw/zinc/33/86/71/999338671.db2.gz	QKWQNYLDIALGLK-LYUVJKPTSA-N	1	0	363.458	1.519	20	30		FDEDRO
CCCOc1ccc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)cn1	ZINC000267455492	999340790	/nfs/dbraw/zinc/34/07/90/999340790.db2.gz	STRDQOFGOCQZBF-UHFFFAOYSA-N	1	0	355.446	1.297	20	30		FDEDRO
[NH2+]=C(NCC#Cc1cccc(C(F)(F)F)c1)NCCCN1CCOCC1	ZINC000267469505	999343711	/nfs/dbraw/zinc/34/37/11/999343711.db2.gz	XNDVLQRCSVFMGA-UHFFFAOYSA-N	1	0	368.403	1.684	20	30		FDEDRO
NC(=NOCCCN1C(=O)CNC1=O)c1cccc(C[NH+]2CCCCC2)c1	ZINC000269127016	999463749	/nfs/dbraw/zinc/46/37/49/999463749.db2.gz	HJEHPKUPZLSXHD-UHFFFAOYSA-N	1	0	373.457	1.251	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cnn(CC(=O)NC3CCCC3)c2)CC1	ZINC000269452580	999468735	/nfs/dbraw/zinc/46/87/35/999468735.db2.gz	SVIOAULSJOMAGG-UHFFFAOYSA-N	1	0	359.474	1.322	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CCN1c1nccn2cnnc12	ZINC000269691576	999471620	/nfs/dbraw/zinc/47/16/20/999471620.db2.gz	WJAZHMNBNNUEMQ-OAHLLOKOSA-N	1	0	363.425	1.737	20	30		FDEDRO
C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)Nc3ccc(F)cc3C#N)C2)CC1	ZINC000270092914	999511423	/nfs/dbraw/zinc/51/14/23/999511423.db2.gz	HHIIMVKGRUCRTC-CQSZACIVSA-N	1	0	358.417	1.826	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccn2c(=O)[nH]nc12	ZINC000271316542	999690328	/nfs/dbraw/zinc/69/03/28/999690328.db2.gz	WOYHCMYRCCZLTB-UHFFFAOYSA-N	1	0	364.409	1.098	20	30		FDEDRO
C[C@H](C[C@@H](C)[NH2+]CCNC(=O)C1N=CC=CC1=O)NC(=O)OC(C)(C)C	ZINC000271430276	999701661	/nfs/dbraw/zinc/70/16/61/999701661.db2.gz	DORMDMUINHGKRW-FJOSAAFMSA-N	1	0	366.462	1.794	20	30		FDEDRO
COc1cc(OC)cc(N2CCC[N@H+](CCC(=O)N(C)CCC#N)CC2)c1	ZINC000271503476	999707135	/nfs/dbraw/zinc/70/71/35/999707135.db2.gz	GYYDHQXRTDRWJR-UHFFFAOYSA-N	1	0	374.485	1.978	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NC1CC[NH+](CC)CC1	ZINC000283393940	999751600	/nfs/dbraw/zinc/75/16/00/999751600.db2.gz	JTCLLZAMDPGGLD-UHFFFAOYSA-N	1	0	354.454	1.673	20	30		FDEDRO
N#Cc1ccnc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)c1	ZINC000283588881	999757762	/nfs/dbraw/zinc/75/77/62/999757762.db2.gz	XOUYCWSYOPJJTL-PKOBYXMFSA-N	1	0	350.422	1.566	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1	ZINC000284006264	999768000	/nfs/dbraw/zinc/76/80/00/999768000.db2.gz	IRYQREVAFQENPR-UHFFFAOYSA-N	1	0	358.486	1.268	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@@H](OC)C[C@H]2COC)c(OC)c1	ZINC000284490670	999842642	/nfs/dbraw/zinc/84/26/42/999842642.db2.gz	BYJPMMKYQQCTPI-KSZLIROESA-N	1	0	365.470	1.899	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@H]2COC3(CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C3)C2)C1	ZINC000965803741	1016360086	/nfs/dbraw/zinc/36/00/86/1016360086.db2.gz	FFNJNLMZBKUAEN-BZUAXINKSA-N	1	0	361.486	1.169	20	30		FDEDRO
CCc1ccc([C@@H](O)CNC(=[NH2+])N2CCN(c3ncccn3)CC2)cc1	ZINC000284918628	999882469	/nfs/dbraw/zinc/88/24/69/999882469.db2.gz	BQKAMTIUWRESJU-KRWDZBQOSA-N	1	0	354.458	1.209	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)CN2CCO[C@H]3CC[N@@H+](C)C[C@H]32)c1C	ZINC000284918687	999882627	/nfs/dbraw/zinc/88/26/27/999882627.db2.gz	SZXWRBQWTSLNBC-UXHICEINSA-N	1	0	370.497	1.955	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)c2c(C)noc2C)CC1	ZINC000286397220	999944345	/nfs/dbraw/zinc/94/43/45/999944345.db2.gz	DOJLALMRJHERHQ-CYBMUJFWSA-N	1	0	362.474	1.668	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)nc1	ZINC000286500345	999944836	/nfs/dbraw/zinc/94/48/36/999944836.db2.gz	WKYREQLRILGMGH-ALOPSCKCSA-N	1	0	371.485	1.493	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000286658909	999945655	/nfs/dbraw/zinc/94/56/55/999945655.db2.gz	DZJFYWKLFFPDMF-PZJWPPBQSA-N	1	0	357.498	1.732	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](c3ccc(OC)cc3)C2)CC1	ZINC000286758946	999949293	/nfs/dbraw/zinc/94/92/93/999949293.db2.gz	UBAATHHNFBTZGE-QGZVFWFLSA-N	1	0	371.481	1.778	20	30		FDEDRO
CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H](C)CC#N)c1	ZINC000287821802	999963462	/nfs/dbraw/zinc/96/34/62/999963462.db2.gz	PPLKOHNPPXZQSU-CYBMUJFWSA-N	1	0	359.430	1.324	20	30		FDEDRO
N#Cc1ccc(-c2nnc(CN3CCC[C@@H](c4nc(=O)[nH][nH]4)C3)o2)cc1	ZINC000289559007	1000106257	/nfs/dbraw/zinc/10/62/57/1000106257.db2.gz	XTAZXCJLDFIVSW-CYBMUJFWSA-N	1	0	351.370	1.399	20	30		FDEDRO
C=CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000289792407	1000119533	/nfs/dbraw/zinc/11/95/33/1000119533.db2.gz	UHSWVZSVNCJHEF-INIZCTEOSA-N	1	0	369.473	1.202	20	30		FDEDRO
C[C@H](CC#N)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C	ZINC000290555518	1000144184	/nfs/dbraw/zinc/14/41/84/1000144184.db2.gz	VPNSYTVKNLQMJN-QGZVFWFLSA-N	1	0	367.501	1.918	20	30		FDEDRO
C[C@H]1CN(c2cccc(F)c2)CCN1CC(=O)N(CCC#N)CCC#N	ZINC000292092368	1000208462	/nfs/dbraw/zinc/20/84/62/1000208462.db2.gz	FLVJVJBJTKKGMS-INIZCTEOSA-N	1	0	357.433	1.992	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)NC[C@]3(C)CCC[NH2+]C3)cc21	ZINC000927794373	1001052876	/nfs/dbraw/zinc/05/28/76/1001052876.db2.gz	DVYKOQNLQXGGOM-LJQANCHMSA-N	1	0	355.442	1.667	20	30		FDEDRO
N#CCCc1ccc(NC(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1	ZINC000927801760	1001061125	/nfs/dbraw/zinc/06/11/25/1001061125.db2.gz	YSSRRFZOMBNZHT-QGZVFWFLSA-N	1	0	354.454	1.929	20	30		FDEDRO
C=C(C)COc1cccc(NC(=O)C(=O)NCCN2CCC([NH3+])CC2)c1	ZINC000927841527	1001097847	/nfs/dbraw/zinc/09/78/47/1001097847.db2.gz	SAJXLTUTNCHELA-UHFFFAOYSA-N	1	0	360.458	1.119	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c(Cl)c1	ZINC000927843744	1001102913	/nfs/dbraw/zinc/10/29/13/1001102913.db2.gz	BHNMESQOLLFEPZ-PSASIEDQSA-N	1	0	360.723	1.498	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1	ZINC000927844775	1001104755	/nfs/dbraw/zinc/10/47/55/1001104755.db2.gz	IHHAXIMGOQAYGG-NEPJUHHUSA-N	1	0	354.332	1.543	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c1	ZINC000927845703	1001107193	/nfs/dbraw/zinc/10/71/93/1001107193.db2.gz	AAGVBVFXWDXVGC-KGLIPLIRSA-N	1	0	371.359	1.928	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1	ZINC000927847305	1001111706	/nfs/dbraw/zinc/11/17/06/1001111706.db2.gz	VGCDKOFAELRGPF-NWDGAFQWSA-N	1	0	369.343	1.375	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2	ZINC000927927285	1001221661	/nfs/dbraw/zinc/22/16/61/1001221661.db2.gz	JTLFYFNTHPSRKQ-LIRRHRJNSA-N	1	0	356.426	1.661	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CN(C(C)C)CCO1)C2	ZINC001110942677	1001436640	/nfs/dbraw/zinc/43/66/40/1001436640.db2.gz	XTLASIDVJVDFNV-ZJPYXAASSA-N	1	0	351.491	1.020	20	30		FDEDRO
C=CCCC[C@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)OC	ZINC000928312695	1001489417	/nfs/dbraw/zinc/48/94/17/1001489417.db2.gz	GVXWBVXZOABVMJ-JCYILVPMSA-N	1	0	352.475	1.892	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCCC1(F)F)C2	ZINC001110945642	1001503079	/nfs/dbraw/zinc/50/30/79/1001503079.db2.gz	WZSYAMOYMCVBLT-YJNKXOJESA-N	1	0	353.413	1.283	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cnn(CCO)c2-c2ccccc2)CC1	ZINC000928652637	1001609801	/nfs/dbraw/zinc/60/98/01/1001609801.db2.gz	GKSDSWNYUURQDI-UHFFFAOYSA-N	1	0	352.438	1.370	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2[nH]c(C)c(C(=O)OCCOC)c2C)CC1	ZINC000928656690	1001612662	/nfs/dbraw/zinc/61/26/62/1001612662.db2.gz	FDZOIPICVPDKKP-UHFFFAOYSA-N	1	0	361.442	1.262	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)CC1	ZINC000928658773	1001613723	/nfs/dbraw/zinc/61/37/23/1001613723.db2.gz	QQPLCMVZTGCCDR-CQSZACIVSA-N	1	0	359.857	1.907	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccccc3CC)C2)CC1	ZINC000928658176	1001613874	/nfs/dbraw/zinc/61/38/74/1001613874.db2.gz	CZORLNJGALNJAB-QGZVFWFLSA-N	1	0	353.466	1.816	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H](NC(=O)NCc2ccccc2)C(C)C)CC1	ZINC000928658984	1001614580	/nfs/dbraw/zinc/61/45/80/1001614580.db2.gz	AOBMURPAWWNGQJ-LJQANCHMSA-N	1	0	370.497	1.724	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CCc2cc(OC)c(OC)c(OC)c2)CC1	ZINC000928660834	1001616034	/nfs/dbraw/zinc/61/60/34/1001616034.db2.gz	IKNHBCDPNAMHOU-UHFFFAOYSA-N	1	0	360.454	1.859	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@]2(C)CCCN(c3ccnc(C#N)n3)C2)CC[N@@H+]1C	ZINC001110963740	1001797014	/nfs/dbraw/zinc/79/70/14/1001797014.db2.gz	LFLFBINHHGNCSI-YRNRMSPPSA-N	1	0	370.501	1.801	20	30		FDEDRO
Cn1cc(C2=NC[C@@H](C[N@@H+]3CCCN(c4ccccc4C#N)CC3)O2)cn1	ZINC000929263332	1001876854	/nfs/dbraw/zinc/87/68/54/1001876854.db2.gz	LMVAHBHCARGRTE-SFHVURJKSA-N	1	0	364.453	1.649	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC3(C1)CCOCC3)C2	ZINC001111273547	1002055795	/nfs/dbraw/zinc/05/57/95/1002055795.db2.gz	SPUHQCVIZWNSTH-ZACQAIPSSA-N	1	0	361.486	1.217	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(Cl)c(C)c1)C2	ZINC001110973039	1002150927	/nfs/dbraw/zinc/15/09/27/1002150927.db2.gz	OJQOBICYIZLNMJ-OIISXLGYSA-N	1	0	359.857	1.733	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2	ZINC000948205304	1002176727	/nfs/dbraw/zinc/17/67/27/1002176727.db2.gz	OAMGMTOBYUGYAZ-RHSMWYFYSA-N	1	0	369.469	1.339	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC000948207258	1002178643	/nfs/dbraw/zinc/17/86/43/1002178643.db2.gz	LOMPHIDAWFJJGN-KBRIMQKVSA-N	1	0	357.458	1.337	20	30		FDEDRO
CC(C)(C)NS(=O)(=O)C1([C@H](O)CN(CCC#N)CC2CC2)CCC1	ZINC000929775763	1002426991	/nfs/dbraw/zinc/42/69/91/1002426991.db2.gz	TUFOURKQPFXHRZ-OAHLLOKOSA-N	1	0	357.520	1.614	20	30		FDEDRO
COC(=O)[C@@H]1CCCC[C@@H]1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000929825120	1002496571	/nfs/dbraw/zinc/49/65/71/1002496571.db2.gz	NEBHIGHMRSNMMQ-BZUAXINKSA-N	1	0	357.458	1.838	20	30		FDEDRO
CCCC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(C)c(C#N)c2)CC1	ZINC000929836351	1002505148	/nfs/dbraw/zinc/50/51/48/1002505148.db2.gz	WBBPBJNANOCENZ-UHFFFAOYSA-N	1	0	356.470	1.864	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)Cc3ccoc3)C[C@H]2C)CC1	ZINC000948648940	1002535268	/nfs/dbraw/zinc/53/52/68/1002535268.db2.gz	XXWQFMHSSJGMOX-CRAIPNDOSA-N	1	0	357.454	1.130	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCCc1cc(F)cc(F)c1)C1CC[NH+](C)CC1	ZINC000929868498	1002536078	/nfs/dbraw/zinc/53/60/78/1002536078.db2.gz	VVQGOAGDRQBMHE-UHFFFAOYSA-N	1	0	363.408	1.180	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H]1CCCOc2ccccc21)C1CC[NH+](C)CC1	ZINC000929883780	1002557013	/nfs/dbraw/zinc/55/70/13/1002557013.db2.gz	CDYALIBVZFKXAL-GOSISDBHSA-N	1	0	369.465	1.573	20	30		FDEDRO
C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1	ZINC000948776123	1002665324	/nfs/dbraw/zinc/66/53/24/1002665324.db2.gz	ZUOBNJPPKISWEK-FGTMMUONSA-N	1	0	363.502	1.655	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CC(=O)N2CCCC2)CC1	ZINC000948785310	1002690092	/nfs/dbraw/zinc/69/00/92/1002690092.db2.gz	GOHGGLVAAYZCTK-KURKYZTESA-N	1	0	363.502	1.513	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CCc2ccnn2C)CC1	ZINC000948786389	1002691818	/nfs/dbraw/zinc/69/18/18/1002691818.db2.gz	YAWMTKOZRXPSAG-UHOSZYNNSA-N	1	0	360.502	1.867	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3ccoc3CC)C[C@H]2C)CC1	ZINC000948809128	1002724953	/nfs/dbraw/zinc/72/49/53/1002724953.db2.gz	OBDVDYHZYNEJAG-CRAIPNDOSA-N	1	0	371.481	1.764	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2c[nH]c(=O)c3ccccc23)CC1	ZINC000930007246	1002730153	/nfs/dbraw/zinc/73/01/53/1002730153.db2.gz	MRMARBQKXNNTRN-UHFFFAOYSA-N	1	0	368.437	1.323	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000779221807	1002737400	/nfs/dbraw/zinc/73/74/00/1002737400.db2.gz	PJXISXZGWNCFKS-HKUYNNGSSA-N	1	0	360.502	1.660	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@@H]3C(F)F)C[C@H]2C)CC1	ZINC000948856494	1002761824	/nfs/dbraw/zinc/76/18/24/1002761824.db2.gz	QOZRDUUUYKWJLB-SYAUCNOPSA-N	1	0	367.440	1.196	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1	ZINC000965993783	1016672501	/nfs/dbraw/zinc/67/25/01/1016672501.db2.gz	DEXKWVPZYUKRPI-ZJPYXAASSA-N	1	0	365.518	1.661	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1	ZINC000930137281	1002862504	/nfs/dbraw/zinc/86/25/04/1002862504.db2.gz	QYRVTGJVUKLAHD-UHFFFAOYSA-N	1	0	373.457	1.183	20	30		FDEDRO
C#Cc1ccc(C(=O)NCC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cn1	ZINC000949007966	1002924779	/nfs/dbraw/zinc/92/47/79/1002924779.db2.gz	IPTUZWUOBXECCE-DNVCBOLYSA-N	1	0	368.481	1.372	20	30		FDEDRO
CC(C)[C@@H]([NH2+]Cc1cncc(C#N)c1)C(=O)N(C)Cc1nnc2n1CCC2	ZINC000930277066	1002989539	/nfs/dbraw/zinc/98/95/39/1002989539.db2.gz	AOBZHKBHAYUIHH-GOSISDBHSA-N	1	0	367.457	1.264	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCNC(C)=O)CCC1	ZINC001110987496	1003062044	/nfs/dbraw/zinc/06/20/44/1003062044.db2.gz	RZTORGBHBNADOE-KURKYZTESA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCOC2(CC[NH+](CCOC)CC2)C1	ZINC000949206897	1003098159	/nfs/dbraw/zinc/09/81/59/1003098159.db2.gz	DXJIOCKGLNZQRM-ROUUACIJSA-N	1	0	366.502	1.698	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H]1CCC[C@H](SCC)C1)C1CC[NH+](C)CC1	ZINC000930438590	1003129625	/nfs/dbraw/zinc/12/96/25/1003129625.db2.gz	HEKVTLBEXDYCII-WBVHZDCISA-N	1	0	365.543	1.723	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H](C)c1ccncc1CC)C1CC[NH+](C)CC1	ZINC000930558872	1003267698	/nfs/dbraw/zinc/26/76/98/1003267698.db2.gz	GHBGYLYCXSCCNU-HNNXBMFYSA-N	1	0	356.470	1.377	20	30		FDEDRO
CC#CC[N@@H+](C)C[C@H](O)COc1cn(-c2ccccc2)nc1C(=O)OC	ZINC000930590692	1003298492	/nfs/dbraw/zinc/29/84/92/1003298492.db2.gz	WZFLERDJHBEXSZ-INIZCTEOSA-N	1	0	357.410	1.354	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Cn1cnc(-c2ccccc2)cc1=O	ZINC000930706640	1003417976	/nfs/dbraw/zinc/41/79/76/1003417976.db2.gz	VVMILUIHYPWPLA-UHFFFAOYSA-N	1	0	367.453	1.604	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)c1	ZINC000930797379	1003514820	/nfs/dbraw/zinc/51/48/20/1003514820.db2.gz	ONPLMQQFBHCKOB-IBGZPJMESA-N	1	0	364.449	1.488	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCC1CC1	ZINC001111291756	1003601842	/nfs/dbraw/zinc/60/18/42/1003601842.db2.gz	NQRQAAFZBRJMTG-QRQLOZEOSA-N	1	0	369.465	1.855	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1Cc3ccccc3C1=O)C2	ZINC001111292527	1003658949	/nfs/dbraw/zinc/65/89/49/1003658949.db2.gz	FHNUOMXBHBUJSK-QRQLOZEOSA-N	1	0	369.465	1.567	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](O)COCC(C)C)nc1	ZINC001111295445	1003722880	/nfs/dbraw/zinc/72/28/80/1003722880.db2.gz	PTROKRPMBYNNBZ-BWPNAZKDSA-N	1	0	371.481	1.432	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CCC)C[C@H]2C)nc1	ZINC000949838607	1003741700	/nfs/dbraw/zinc/74/17/00/1003741700.db2.gz	MFOHNOGIPWSOKQ-ATZDWAIDSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)N(C)CC2CC2)c1	ZINC001111001899	1003789643	/nfs/dbraw/zinc/78/96/43/1003789643.db2.gz	MYQGMICPCFDPQS-QRVBRYPASA-N	1	0	366.465	1.266	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccc3[nH]c(C(=O)NC)cc3c2)CC1	ZINC000931203331	1003957917	/nfs/dbraw/zinc/95/79/17/1003957917.db2.gz	BTDYYAKOLQNPNA-UHFFFAOYSA-N	1	0	353.426	1.747	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1ccc(SCC)cc1)C1CC[NH+](C)CC1	ZINC000931210433	1003963190	/nfs/dbraw/zinc/96/31/90/1003963190.db2.gz	APGYCRCLZMYNSZ-UHFFFAOYSA-N	1	0	373.522	1.971	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC([N@@H+]2CCCOCC2)CC1	ZINC000931292357	1004031551	/nfs/dbraw/zinc/03/15/51/1004031551.db2.gz	KLAIIGFCEQXNDW-APWZRJJASA-N	1	0	350.507	1.616	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H](c3c[nH]c4ncccc34)C2)CC1	ZINC000931367215	1004088925	/nfs/dbraw/zinc/08/89/25/1004088925.db2.gz	BIORJGBLMLCYFN-KRWDZBQOSA-N	1	0	365.481	1.520	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCc2cc(C#N)ccc2F)C1	ZINC000931594089	1004297819	/nfs/dbraw/zinc/29/78/19/1004297819.db2.gz	HEEVWHOAAHTRDG-HNNXBMFYSA-N	1	0	360.433	1.408	20	30		FDEDRO
COC(=O)C1CC2(C1)C[N@H+](C[C@H](O)CC#N)C[C@H]2C(=O)OC(C)(C)C	ZINC000931753119	1004473179	/nfs/dbraw/zinc/47/31/79/1004473179.db2.gz	JNBRLNQYWKTNPA-NTXUUIFSSA-N	1	0	352.431	1.104	20	30		FDEDRO
Cc1nc([C@@H]2CCN(CC#CCN3CC[C@H](c4noc(C)n4)C3)C2)no1	ZINC000931935221	1004620268	/nfs/dbraw/zinc/62/02/68/1004620268.db2.gz	KZMAXDADKPSTMS-IYBDPMFKSA-N	1	0	356.430	1.352	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)C2(C#N)CCSCC2)CC1	ZINC000931956655	1004639141	/nfs/dbraw/zinc/63/91/41/1004639141.db2.gz	BQBPMGWZRUTPAY-UHFFFAOYSA-N	1	0	352.504	1.036	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC([C@@]2(C)COC(=O)N2)CC1	ZINC000932089295	1004763591	/nfs/dbraw/zinc/76/35/91/1004763591.db2.gz	KFCHVJPHUUMARE-FSPWUOQZSA-N	1	0	350.463	1.640	20	30		FDEDRO
Cc1nc(CC2CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)no1	ZINC000932246867	1004851391	/nfs/dbraw/zinc/85/13/91/1004851391.db2.gz	UHHFYXFPOAEVJC-KRWDZBQOSA-N	1	0	356.426	1.944	20	30		FDEDRO
C#CC[N@@H+](C[C@H](O)COc1cn(-c2ccccc2)nc1C(=O)OC)C(C)C	ZINC000932386377	1004934186	/nfs/dbraw/zinc/93/41/86/1004934186.db2.gz	PRIXZOLKYAGIJK-KRWDZBQOSA-N	1	0	371.437	1.742	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H](CCNC(=O)OC(C)(C)C)C1	ZINC000932704754	1005111977	/nfs/dbraw/zinc/11/19/77/1005111977.db2.gz	XGAJFVCCHNVWJY-GJZGRUSLSA-N	1	0	352.479	1.984	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1	ZINC000947088916	1005159684	/nfs/dbraw/zinc/15/96/84/1005159684.db2.gz	ACLQSEPDJUYGBD-SQNIBIBYSA-N	1	0	365.518	1.661	20	30		FDEDRO
N#CC[C@H](NC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)C(F)(F)F	ZINC000932900171	1005235516	/nfs/dbraw/zinc/23/55/16/1005235516.db2.gz	RYADPNYTSAVDFI-CABCVRRESA-N	1	0	370.375	1.549	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)N[C@H](CC#N)C(F)(F)F)CC2)CC1	ZINC000932907402	1005238969	/nfs/dbraw/zinc/23/89/69/1005238969.db2.gz	DHPOJLXLAYYOPT-CQSZACIVSA-N	1	0	361.412	1.689	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CCCN(C)C(=O)c2ccncc2)CC1	ZINC000933356581	1005545568	/nfs/dbraw/zinc/54/55/68/1005545568.db2.gz	ZGCDZNXNPKIFBT-UHFFFAOYSA-N	1	0	356.470	1.538	20	30		FDEDRO
C[C@](CO)(Cc1ccc(F)cc1)[NH2+]C[C@H](O)CC1(C#N)CCOCC1	ZINC000933445912	1005558814	/nfs/dbraw/zinc/55/88/14/1005558814.db2.gz	RHBOIBZZDZEJEG-QZTJIDSGSA-N	1	0	350.434	1.780	20	30		FDEDRO
C[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)C[C@@H]1CCN1C(=O)OC(C)(C)C	ZINC000933464620	1005562340	/nfs/dbraw/zinc/56/23/40/1005562340.db2.gz	KKSDYABNAJXCLV-HOTGVXAUSA-N	1	0	367.490	1.999	20	30		FDEDRO
C[C@@]1(C#N)CN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CCO1	ZINC000933605275	1005587968	/nfs/dbraw/zinc/58/79/68/1005587968.db2.gz	WMFGMDNPYDIJQB-LJQANCHMSA-N	1	0	374.510	1.788	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1c2ccccc2OC[C@H]1CO	ZINC000934211899	1005711241	/nfs/dbraw/zinc/71/12/41/1005711241.db2.gz	IURPPTMEUCHSFV-JXXFODFXSA-N	1	0	354.406	1.630	20	30		FDEDRO
Cc1sc(NC(=O)CN2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c(C#N)c1C	ZINC000934261732	1005724546	/nfs/dbraw/zinc/72/45/46/1005724546.db2.gz	GJBUITSIJIOHSR-CVEARBPZSA-N	1	0	362.499	1.706	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)NC1(C#N)CCC1)C2	ZINC000934610878	1005765294	/nfs/dbraw/zinc/76/52/94/1005765294.db2.gz	BWXPICHPWVIXIH-ZNMIVQPWSA-N	1	0	362.474	1.926	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](c2ccncc2)C2CC2)CC1	ZINC000934698599	1005780776	/nfs/dbraw/zinc/78/07/76/1005780776.db2.gz	NTAGINZIELOFBC-UYAOXDASSA-N	1	0	355.486	1.815	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(CN=[S@](C)(=O)N(C)C)CC1	ZINC000934750150	1005791551	/nfs/dbraw/zinc/79/15/51/1005791551.db2.gz	MBTDVLQIYRGTKY-SHACYNPGSA-N	1	0	357.524	1.033	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)nc1	ZINC000934834686	1005806865	/nfs/dbraw/zinc/80/68/65/1005806865.db2.gz	RIKFMTUIYLCMQU-IAGOWNOFSA-N	1	0	363.483	1.866	20	30		FDEDRO
C=CC1(CC(=O)NC[C@@](C)(O)C[NH+](C)C)CN(C(=O)OC(C)(C)C)C1	ZINC000935050718	1005840094	/nfs/dbraw/zinc/84/00/94/1005840094.db2.gz	FEVWOISRMJGZRR-QGZVFWFLSA-N	1	0	355.479	1.228	20	30		FDEDRO
C[C@H]1CN(CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)CCN1CCO	ZINC000778352526	1005927042	/nfs/dbraw/zinc/92/70/42/1005927042.db2.gz	WHJPOZYPWYKTNU-UOEVCUDDSA-N	1	0	357.498	1.865	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000935631634	1005946568	/nfs/dbraw/zinc/94/65/68/1005946568.db2.gz	IAMFWJVRVVECGR-ROUUACIJSA-N	1	0	354.454	1.648	20	30		FDEDRO
Cc1ccc(CCNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)cn1	ZINC000089120871	1006011380	/nfs/dbraw/zinc/01/13/80/1006011380.db2.gz	GICNZPRZQIXFJF-MRXNPFEDSA-N	1	0	359.474	1.813	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NC[C@H](O)Cc3ccccc3)=[NH+]C[C@H]2C1	ZINC000089120795	1006011645	/nfs/dbraw/zinc/01/16/45/1006011645.db2.gz	YGNKZVCSXGAPCS-DLBZAZTESA-N	1	0	374.485	1.471	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCOC(C)C	ZINC001111107034	1006076893	/nfs/dbraw/zinc/07/68/93/1006076893.db2.gz	GGIROEFDHQNCMY-YRXWBPOGSA-N	1	0	365.518	1.994	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CCOC(=O)CNS(=O)(=O)c1cccc(C#N)c1	ZINC000795328039	1006085228	/nfs/dbraw/zinc/08/52/28/1006085228.db2.gz	SEVJRFWRXMVPHV-HNNXBMFYSA-N	1	0	365.455	1.254	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(CCO)CCNc2ncc(C#N)cc2Cl)CC[N@@H+]1C	ZINC001111576298	1006245580	/nfs/dbraw/zinc/24/55/80/1006245580.db2.gz	FDJDDTMXECHUNT-TZMCWYRMSA-N	1	0	365.865	1.180	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnn1C1CCOCC1)C2	ZINC001111126362	1006321502	/nfs/dbraw/zinc/32/15/02/1006321502.db2.gz	WYIKVEBGCNEKTO-KURKYZTESA-N	1	0	374.485	1.772	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCN(C)S1(=O)=O)C2	ZINC001111129554	1006334922	/nfs/dbraw/zinc/33/49/22/1006334922.db2.gz	WNZWUQWIBUOQBA-NCOADZHNSA-N	1	0	369.531	1.488	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)CC[N@@H+]1C	ZINC000966994829	1017044924	/nfs/dbraw/zinc/04/49/24/1017044924.db2.gz	IZXAAJYWXQSQDX-FRFSOERESA-N	1	0	371.485	1.583	20	30		FDEDRO
C[C@@H](O)C[C@@H]1CCC[N@@H+]1CN1CC(=O)N(Cc2ccccc2C#N)C1=O	ZINC000155428301	1006681087	/nfs/dbraw/zinc/68/10/87/1006681087.db2.gz	HFRHNSOTLOXLFT-PBHICJAKSA-N	1	0	356.426	1.515	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)CCC)C2	ZINC001111193506	1006785672	/nfs/dbraw/zinc/78/56/72/1006785672.db2.gz	BUWZLUXYXZPBDQ-FPCVCCKLSA-N	1	0	364.490	1.546	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)n1cc(Cn2ccc(C[NH2+]CC)n2)nn1	ZINC000640923935	1006808609	/nfs/dbraw/zinc/80/86/09/1006808609.db2.gz	OZKGNHAPYGPYEK-OAHLLOKOSA-N	1	0	359.478	1.618	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccccc2C[NH+](C)C)C1	ZINC000954501636	1006821020	/nfs/dbraw/zinc/82/10/20/1006821020.db2.gz	XCTWGNUWCTYMSQ-MOPGFXCFSA-N	1	0	371.481	1.622	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn3nccc3nc1C)C2	ZINC001111200532	1006834744	/nfs/dbraw/zinc/83/47/44/1006834744.db2.gz	ZGCFWJIOORQERO-OIISXLGYSA-N	1	0	355.442	1.575	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1nc3n(c1=O)CCCC3)C2	ZINC001111238085	1007022035	/nfs/dbraw/zinc/02/20/35/1007022035.db2.gz	JPKCDXACGLPQHT-VQHPVUNQSA-N	1	0	373.501	1.457	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](N3CC[NH+](CCCCO)CC3)C2=O)cc1	ZINC000778951208	1007060621	/nfs/dbraw/zinc/06/06/21/1007060621.db2.gz	HQWTZDWYYKUQOQ-IBGZPJMESA-N	1	0	356.470	1.444	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-c3cnn(C)c3)o1)C2	ZINC001111244709	1007068196	/nfs/dbraw/zinc/06/81/96/1007068196.db2.gz	PDWRDKXWPILSEA-ZACQAIPSSA-N	1	0	368.437	1.665	20	30		FDEDRO
Cn1ccc(=O)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(C#N)s2)c1	ZINC001095738803	1007166427	/nfs/dbraw/zinc/16/64/27/1007166427.db2.gz	DAMKTVKEDHQKHA-DQYPLSBCSA-N	1	0	368.462	1.854	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1	ZINC000779043799	1007211465	/nfs/dbraw/zinc/21/14/65/1007211465.db2.gz	USDYHJDFQUJEDG-FQEVSTJZSA-N	1	0	370.474	1.909	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(N[C@H]2CCCN(c3ncccn3)C2)=[NH+]C)C12CCC2	ZINC000246582861	1007228417	/nfs/dbraw/zinc/22/84/17/1007228417.db2.gz	YIUNBAABAAQUIJ-YESZJQIVSA-N	1	0	372.517	1.958	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(C)c1C(F)F)C2	ZINC001111265384	1007362067	/nfs/dbraw/zinc/36/20/67/1007362067.db2.gz	HBSUAOJUYCZABJ-BNOWGMLFSA-N	1	0	354.401	1.895	20	30		FDEDRO
CN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C1CN(C(=O)C#CC2CC2)C1	ZINC000955411164	1007448789	/nfs/dbraw/zinc/44/87/89/1007448789.db2.gz	RRTHUFHVWKUCBN-UXHICEINSA-N	1	0	365.477	1.414	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@](C)(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cn1	ZINC000957016349	1007543613	/nfs/dbraw/zinc/54/36/13/1007543613.db2.gz	QQPHOSRAWQMIQV-WAOWUJCRSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CCN(C(=O)C[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000957070008	1007646380	/nfs/dbraw/zinc/64/63/80/1007646380.db2.gz	LELMIRXZMXBSRJ-IPJJNNNSSA-N	1	0	371.525	1.875	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1	ZINC000956035254	1007792390	/nfs/dbraw/zinc/79/23/90/1007792390.db2.gz	FPPZAAXOFNLSRC-AYOQOUSVSA-N	1	0	353.466	1.729	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2	ZINC000956110837	1007884404	/nfs/dbraw/zinc/88/44/04/1007884404.db2.gz	XAVKGUZQFBCCEB-BBWFWOEESA-N	1	0	361.486	1.313	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CCN(C(=O)C[N@@H+](C)C2CCC2)CC1	ZINC000956500452	1008182296	/nfs/dbraw/zinc/18/22/96/1008182296.db2.gz	CBZHVWARGHXSDV-SJORKVTESA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@](C)(C=C)CC)C[C@H]2C)CC1	ZINC000958564049	1008710520	/nfs/dbraw/zinc/71/05/20/1008710520.db2.gz	KPFOOQNUWYGETR-BLIXFSHQSA-N	1	0	359.514	1.897	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)C[NH+]1CCC(C)CC1	ZINC000950233320	1008917757	/nfs/dbraw/zinc/91/77/57/1008917757.db2.gz	XONRPTSXQXOOKP-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000950322674	1009000847	/nfs/dbraw/zinc/00/08/47/1009000847.db2.gz	OBFMWQIGQDGHTO-HLLBOEOZSA-N	1	0	357.458	1.337	20	30		FDEDRO
CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(Cc2ccc(OC)c(C#N)c2)C1	ZINC000950357211	1009064423	/nfs/dbraw/zinc/06/44/23/1009064423.db2.gz	MDURLWRPYQKHSA-DNVCBOLYSA-N	1	0	370.497	1.940	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCN2C(=O)C[C@@H]2C[C@H]2C2CC2)CC1	ZINC000950432386	1009166144	/nfs/dbraw/zinc/16/61/44/1009166144.db2.gz	PSBRZMWOEHGMPI-FHWLQOOXSA-N	1	0	357.498	1.485	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCc3nc(C)no3)C[C@H]21	ZINC000959950012	1009186308	/nfs/dbraw/zinc/18/63/08/1009186308.db2.gz	ZNNKLNHZXAWHHZ-LFRCEIEQSA-N	1	0	360.458	1.338	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC000960011518	1009309979	/nfs/dbraw/zinc/30/99/79/1009309979.db2.gz	SAWXHZKJHXNERT-AYOQOUSVSA-N	1	0	368.481	1.944	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ncccc2CC)C1	ZINC000950648583	1009468593	/nfs/dbraw/zinc/46/85/93/1009468593.db2.gz	RSBKCGDUJKEVCE-NXHRZFHOSA-N	1	0	368.481	1.318	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]2C)cc1	ZINC000950720851	1009556708	/nfs/dbraw/zinc/55/67/08/1009556708.db2.gz	ZZMAXMRIHLAQOF-ATZDWAIDSA-N	1	0	371.481	1.616	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1c(C)nnn1CC	ZINC000960136589	1009574595	/nfs/dbraw/zinc/57/45/95/1009574595.db2.gz	XJWWLINGMCSCBH-JZXOWHBKSA-N	1	0	361.490	1.668	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH+]1CCC(Nc2ncccc2C#N)CC1	ZINC001111321176	1009585498	/nfs/dbraw/zinc/58/54/98/1009585498.db2.gz	BFVURYHMQJVPRW-MSOLQXFVSA-N	1	0	369.469	1.537	20	30		FDEDRO
Cc1ccc(C#N)c(NC2CC[NH+](CCNC(=O)[C@H]3OCC[C@H]3C)CC2)n1	ZINC001111322309	1009589182	/nfs/dbraw/zinc/58/91/82/1009589182.db2.gz	BORKPIJTMTWWDN-KDOFPFPSSA-N	1	0	371.485	1.679	20	30		FDEDRO
CCC[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCC(Nc2cncc(C#N)n2)CC1	ZINC001111322430	1009591550	/nfs/dbraw/zinc/59/15/50/1009591550.db2.gz	JLSRXIXTQGXRDQ-RHSMWYFYSA-N	1	0	356.474	1.777	20	30		FDEDRO
CCNC(=O)COc1cccc(CNC(=[NH2+])NCCc2ccccc2)c1	ZINC000303864342	1009643460	/nfs/dbraw/zinc/64/34/60/1009643460.db2.gz	AWOZRRTXGKBRQE-UHFFFAOYSA-N	1	0	354.454	1.849	20	30		FDEDRO
C[C@@H]1CCCN(C(=[NH2+])NCCc2ccc(OCC(=O)NC3CC3)cc2)C1	ZINC000303863174	1009643651	/nfs/dbraw/zinc/64/36/51/1009643651.db2.gz	AAJSNFWTZXHNNH-OAHLLOKOSA-N	1	0	358.486	1.933	20	30		FDEDRO
CCOc1ncccc1CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000303868899	1009644797	/nfs/dbraw/zinc/64/47/97/1009644797.db2.gz	AOXQALJUNLWRGS-UHFFFAOYSA-N	1	0	363.462	1.848	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1ccc(OC)cc1C(F)(F)F	ZINC000303975679	1009787661	/nfs/dbraw/zinc/78/76/61/1009787661.db2.gz	JHUVCMOHJHEFMS-UHFFFAOYSA-N	1	0	374.407	1.711	20	30		FDEDRO
[NH2+]=C(NCCc1ccccc1)NCC(=O)N1CCN(c2ccccc2)CC1	ZINC000303987360	1009792775	/nfs/dbraw/zinc/79/27/75/1009792775.db2.gz	VLKSWKIXWMPEPV-UHFFFAOYSA-N	1	0	365.481	1.482	20	30		FDEDRO
C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)CCN1CC[NH2+]CC1	ZINC000647774876	1009917484	/nfs/dbraw/zinc/91/74/84/1009917484.db2.gz	VFUOCBWBLNNBIX-UHFFFAOYSA-N	1	0	369.469	1.414	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)CC2(C)C)CC[N@@H+]1C	ZINC000967047572	1017083704	/nfs/dbraw/zinc/08/37/04/1017083704.db2.gz	VWMGMBNTLZISME-KSZLIROESA-N	1	0	359.514	1.873	20	30		FDEDRO
C=CCn1cc(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)nn1	ZINC000648267084	1010327819	/nfs/dbraw/zinc/32/78/19/1010327819.db2.gz	ZJXCXXVAJMHIMK-OAHLLOKOSA-N	1	0	368.441	1.414	20	30		FDEDRO
C[NH+]=C(NCCOc1ccccc1C(F)(F)F)NCCN1CCOCC1	ZINC000304724263	1010476084	/nfs/dbraw/zinc/47/60/84/1010476084.db2.gz	QVYJZUIAKBUHRJ-UHFFFAOYSA-N	1	0	374.407	1.581	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1	ZINC000951153357	1010521174	/nfs/dbraw/zinc/52/11/74/1010521174.db2.gz	IYEOOAMTKHZMJI-NXHRZFHOSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)nnn3CC)C2	ZINC001111383175	1010991672	/nfs/dbraw/zinc/99/16/72/1010991672.db2.gz	DMUFIMWHNSKAKE-NUJGCVRESA-N	1	0	369.469	1.989	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1	ZINC000193791738	1011036212	/nfs/dbraw/zinc/03/62/12/1011036212.db2.gz	XDQGSZYEAOUBOC-UHFFFAOYSA-N	1	0	356.470	1.968	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(=O)Nc1ccc(C)cc1)C2	ZINC001111392224	1011060398	/nfs/dbraw/zinc/06/03/98/1011060398.db2.gz	ZSGHFBHAHZEAIB-KURKYZTESA-N	1	0	357.454	1.858	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccccc1F)C2	ZINC001111394036	1011100876	/nfs/dbraw/zinc/10/08/76/1011100876.db2.gz	IKGZGAFGCONHAJ-OPNNQBFTSA-N	1	0	371.456	1.618	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3CCC)C2)CC1	ZINC000951944821	1011142197	/nfs/dbraw/zinc/14/21/97/1011142197.db2.gz	GQJZJMHCVCBTMO-CEXWTWQISA-N	1	0	359.514	1.875	20	30		FDEDRO
C[N@@H+](Cc1ccc(OCC#N)cc1)C[C@H]1CCCN1C(=O)[C@H]1C[C@H]1C(N)=O	ZINC000960873403	1011586398	/nfs/dbraw/zinc/58/63/98/1011586398.db2.gz	FSAHUUUGSWDNOJ-NXHRZFHOSA-N	1	0	370.453	1.133	20	30		FDEDRO
N#Cc1ccc(F)c(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCNC2=O)C3)c1	ZINC001095868007	1011992107	/nfs/dbraw/zinc/99/21/07/1011992107.db2.gz	BWICWNQUEJKWNU-JHNDHUHGSA-N	1	0	356.401	1.055	20	30		FDEDRO
C[NH+]=C(NCCCc1cc(OC)ccc1OC)NCCN1CCOCC1	ZINC000305723797	1012056236	/nfs/dbraw/zinc/05/62/36/1012056236.db2.gz	XAQJGJSATSEGGZ-UHFFFAOYSA-N	1	0	364.490	1.134	20	30		FDEDRO
C=CCn1cc(C(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)nn1	ZINC000650542399	1012188495	/nfs/dbraw/zinc/18/84/95/1012188495.db2.gz	FXSBHDLHGMLHJM-MOPGFXCFSA-N	1	0	367.453	1.580	20	30		FDEDRO
C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)CC2)C1	ZINC000961405739	1012340205	/nfs/dbraw/zinc/34/02/05/1012340205.db2.gz	LXFQBBPDEGNLHT-OTWHNJEPSA-N	1	0	359.514	1.685	20	30		FDEDRO
CC[C@H](C)C(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1	ZINC001111416387	1012445684	/nfs/dbraw/zinc/44/56/84/1012445684.db2.gz	OFLNYYDHHBVYFA-PIKADFDJSA-N	1	0	368.481	1.942	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCc3ccc(CO)cc3)=[NH+]C[C@@H]2C1	ZINC000305784744	1012526800	/nfs/dbraw/zinc/52/68/00/1012526800.db2.gz	XEYPRUWCJDJCRL-QGZVFWFLSA-N	1	0	374.485	1.602	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000953818603	1012530475	/nfs/dbraw/zinc/53/04/75/1012530475.db2.gz	ZCKMYFJZTNZQJI-KSZLIROESA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(C[C@@H]2NC(=O)C[NH+]2CCCC2)CC1	ZINC000963873979	1012881343	/nfs/dbraw/zinc/88/13/43/1012881343.db2.gz	QCRLVNQDJAHSPZ-IKGGRYGDSA-N	1	0	361.486	1.171	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1OCC[C@@H]1c1ccccc1	ZINC001114954349	1012908643	/nfs/dbraw/zinc/90/86/43/1012908643.db2.gz	OFWCPEDDULJRFP-SWBPCFCJSA-N	1	0	354.450	1.255	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1	ZINC000636521336	1013012821	/nfs/dbraw/zinc/01/28/21/1013012821.db2.gz	VVUBDGCZYCLNPF-UHFFFAOYSA-N	1	0	373.501	1.168	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c1	ZINC000953978122	1013014629	/nfs/dbraw/zinc/01/46/29/1013014629.db2.gz	DYAGQAVNPFIYLR-DNVCBOLYSA-N	1	0	368.481	1.466	20	30		FDEDRO
N#CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@]2(F)CCOC2)C3)cc1	ZINC001095916824	1017589244	/nfs/dbraw/zinc/58/92/44/1017589244.db2.gz	LJJNHRNTROMVBF-HYJFEMIMSA-N	1	0	373.428	1.939	20	30		FDEDRO
C[NH+](C)[C@@]1(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CCSC1	ZINC000506729237	538905763	/nfs/dbraw/zinc/90/57/63/538905763.db2.gz	DRXSUCFLKLMAAX-DLBZAZTESA-N	1	0	355.504	1.802	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000192377898	178112238	/nfs/dbraw/zinc/11/22/38/178112238.db2.gz	UJPIGKMYUGRWHX-GOSISDBHSA-N	1	0	369.469	1.300	20	30		FDEDRO
CC1CC[NH+](CCNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1	ZINC000192565633	178120106	/nfs/dbraw/zinc/12/01/06/178120106.db2.gz	AEQBDHMAYBAFTR-UHFFFAOYSA-N	1	0	359.474	1.901	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)C[NH+]1CCCC1	ZINC000192714493	178128299	/nfs/dbraw/zinc/12/82/99/178128299.db2.gz	OJUDUDKOKQHTGO-AWEZNQCLSA-N	1	0	359.474	1.901	20	30		FDEDRO
COc1ccnc(NC2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)n1	ZINC000192873367	178137328	/nfs/dbraw/zinc/13/73/28/178137328.db2.gz	ZCVJTIWIXDNSBD-QGZVFWFLSA-N	1	0	353.426	1.967	20	30		FDEDRO
COCC[NH2+]CCNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000193362668	178160052	/nfs/dbraw/zinc/16/00/52/178160052.db2.gz	AFXZCBBOFCKVNE-UHFFFAOYSA-N	1	0	351.350	1.091	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1	ZINC000194917223	178230036	/nfs/dbraw/zinc/23/00/36/178230036.db2.gz	GKADWULVSVZDTP-GASCZTMLSA-N	1	0	356.426	1.304	20	30		FDEDRO
CC(=O)NC[C@@H]1CCC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000245526450	178363619	/nfs/dbraw/zinc/36/36/19/178363619.db2.gz	PGPXQRYKYVPBPJ-HKUYNNGSSA-N	1	0	354.454	1.902	20	30		FDEDRO
N#Cc1cccc(CNC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1	ZINC000245854637	178384351	/nfs/dbraw/zinc/38/43/51/178384351.db2.gz	JUNRXTAYDJJNGB-VQTJNVASSA-N	1	0	364.449	1.993	20	30		FDEDRO
C[C@@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(C#N)cc1F	ZINC000512631194	538977709	/nfs/dbraw/zinc/97/77/09/538977709.db2.gz	PUVOUXUFFOGTRW-ZBFHGGJFSA-N	1	0	360.433	1.281	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)NCCCC[NH+]1CCN(CCO)CC1	ZINC000512845358	538982470	/nfs/dbraw/zinc/98/24/70/538982470.db2.gz	LRLMPMNMUKKRSW-UHFFFAOYSA-N	1	0	373.501	1.090	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)NCc2ccc(C#N)c(OC)c2)CC1	ZINC000517268977	539358830	/nfs/dbraw/zinc/35/88/30/539358830.db2.gz	SAXBAUXMLPUURR-UHFFFAOYSA-N	1	0	360.458	1.867	20	30		FDEDRO
CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1	ZINC000263970691	179007227	/nfs/dbraw/zinc/00/72/27/179007227.db2.gz	QBIZADOBYZZPGY-INIZCTEOSA-N	1	0	364.471	1.291	20	30		FDEDRO
COC(=O)N(C)CCCC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000264301191	179072221	/nfs/dbraw/zinc/07/22/21/179072221.db2.gz	YXTHGIZXHLDNRQ-UHFFFAOYSA-N	1	0	360.458	1.927	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O	ZINC000264530827	179129158	/nfs/dbraw/zinc/12/91/58/179129158.db2.gz	YNOOTTTXNKFANT-SFHVURJKSA-N	1	0	371.485	1.820	20	30		FDEDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000264848937	179220333	/nfs/dbraw/zinc/22/03/33/179220333.db2.gz	MRYRXACAZWTZBK-KRWDZBQOSA-N	1	0	371.485	1.357	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CC[NH+](C2CCC2)CC1	ZINC000265117323	179290797	/nfs/dbraw/zinc/29/07/97/179290797.db2.gz	JCCVPHLZJMJJRH-UHFFFAOYSA-N	1	0	364.453	1.853	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000268187756	180019824	/nfs/dbraw/zinc/01/98/24/180019824.db2.gz	UZFCGIQAVXAOEJ-OXQOHEQNSA-N	1	0	367.497	1.868	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1	ZINC000528507583	539763432	/nfs/dbraw/zinc/76/34/32/539763432.db2.gz	OEGBBDSABVJVFQ-KFWWJZLASA-N	1	0	358.360	1.791	20	30		FDEDRO
CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2CC#CCN1C(=O)c2ccccc2C1=O	ZINC000528508600	539763814	/nfs/dbraw/zinc/76/38/14/539763814.db2.gz	QNORPOCOSYAJMU-CJBAZIHXSA-N	1	0	350.418	1.641	20	30		FDEDRO
CS(=O)(=O)N1CC[C@@H](C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)C1	ZINC000528785540	539784128	/nfs/dbraw/zinc/78/41/28/539784128.db2.gz	UGHYYQIRSXTMPW-INIZCTEOSA-N	1	0	363.483	1.435	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1	ZINC000529331455	539821133	/nfs/dbraw/zinc/82/11/33/539821133.db2.gz	RVIHTEQXWJMRMN-KURKYZTESA-N	1	0	351.491	1.768	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1F	ZINC000529331821	539821188	/nfs/dbraw/zinc/82/11/88/539821188.db2.gz	QNTJTXTXIISKGQ-KRWDZBQOSA-N	1	0	360.433	1.997	20	30		FDEDRO
CS(=O)(=O)CC1CCC([NH2+]C[C@H](O)COc2ccccc2C#N)CC1	ZINC000530234525	539916608	/nfs/dbraw/zinc/91/66/08/539916608.db2.gz	QPODHMDNXOLQPQ-PREGVCBESA-N	1	0	366.483	1.491	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]C1CCN(c2ccccn2)CC1	ZINC000530230447	539915214	/nfs/dbraw/zinc/91/52/14/539915214.db2.gz	GCPJOHAATPNICT-GOSISDBHSA-N	1	0	352.438	1.952	20	30		FDEDRO
C=C(C)COCCNC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000531635100	540109225	/nfs/dbraw/zinc/10/92/25/540109225.db2.gz	YABWAGLOWJBJBD-IBGZPJMESA-N	1	0	360.502	1.867	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCN(C(=O)CC)C1)C(C)C	ZINC000268571254	674092464	/nfs/dbraw/zinc/09/24/64/674092464.db2.gz	QHTGOGZYKBXSLU-IAGOWNOFSA-N	1	0	350.507	1.995	20	30		FDEDRO
C[NH+](C)CCCN(C(=O)Cc1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000531824345	540119176	/nfs/dbraw/zinc/11/91/76/540119176.db2.gz	UPZOPBCSJHTKAK-QGZVFWFLSA-N	1	0	363.483	1.068	20	30		FDEDRO
CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC(=O)N(CCC#N)CCC#N)C1	ZINC000532097821	540138192	/nfs/dbraw/zinc/13/81/92/540138192.db2.gz	RCVFATOWCPOKGM-DLBZAZTESA-N	1	0	361.490	1.659	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NC[C@@H](O)COc1ccccc1Br	ZINC000268716100	674096279	/nfs/dbraw/zinc/09/62/79/674096279.db2.gz	MNJOXYKYIHLZRR-WDEREUQCSA-N	1	0	360.252	1.128	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)n(CCC#N)n1	ZINC000533007846	540193436	/nfs/dbraw/zinc/19/34/36/540193436.db2.gz	KCUOCBODBZYOAO-UHFFFAOYSA-N	1	0	360.462	1.469	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)n(CCC#N)n1	ZINC000533320429	540231769	/nfs/dbraw/zinc/23/17/69/540231769.db2.gz	SRCNMIHQIUGCPV-MRXNPFEDSA-N	1	0	374.489	1.670	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)n(CCC#N)n1	ZINC000533454274	540249468	/nfs/dbraw/zinc/24/94/68/540249468.db2.gz	BEIDHSLLJRTFHJ-INIZCTEOSA-N	1	0	374.489	1.815	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)n(CCC#N)n1	ZINC000533466519	540251288	/nfs/dbraw/zinc/25/12/88/540251288.db2.gz	NPGWFXRIXJRIED-MRXNPFEDSA-N	1	0	368.441	1.463	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)n(CCC#N)n1	ZINC000533460200	540251077	/nfs/dbraw/zinc/25/10/77/540251077.db2.gz	XPBHFWHUMGQXKZ-MRXNPFEDSA-N	1	0	372.473	1.378	20	30		FDEDRO
C[N@H+](CCc1cccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)c1)C1CC1	ZINC000537078308	540681903	/nfs/dbraw/zinc/68/19/03/540681903.db2.gz	ADSKIVDROSNIFW-KRWDZBQOSA-N	1	0	356.426	1.013	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000538277358	540836329	/nfs/dbraw/zinc/83/63/29/540836329.db2.gz	SDDPTSKNEMHMSI-LBPRGKRZSA-N	1	0	358.261	1.693	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@]2(C)CCCO)CC1	ZINC000538514445	540865104	/nfs/dbraw/zinc/86/51/04/540865104.db2.gz	DMBHGNDRQJVTLX-IEBWSBKVSA-N	1	0	350.507	1.306	20	30		FDEDRO
CN(CCC[NH+](C)C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O	ZINC000539416322	540957546	/nfs/dbraw/zinc/95/75/46/540957546.db2.gz	HBJFWRUTJJXQLV-INIZCTEOSA-N	1	0	371.441	1.173	20	30		FDEDRO
C=CC[C@H](CO)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000539297457	540943748	/nfs/dbraw/zinc/94/37/48/540943748.db2.gz	DHQKOODDCBSIDU-HOTGVXAUSA-N	1	0	368.499	1.543	20	30		FDEDRO
C[C@@H]1[C@H](C)N(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC[N@H+]1C	ZINC000540053117	541023221	/nfs/dbraw/zinc/02/32/21/541023221.db2.gz	RIHVZDIJFOWHAX-CABCVRRESA-N	1	0	352.442	1.707	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OCCO)c(OC)c1	ZINC000540375916	541051647	/nfs/dbraw/zinc/05/16/47/541051647.db2.gz	MFNJMLOBQZIPIE-QWHCGFSZSA-N	1	0	365.430	1.117	20	30		FDEDRO
C[C@@H]1C[N@H+](C)CCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000540547932	541073058	/nfs/dbraw/zinc/07/30/58/541073058.db2.gz	SWDGXSVNPOZCSH-VQIMIIECSA-N	1	0	373.476	1.170	20	30		FDEDRO
N#Cc1c2c(sc1NC(=O)CC[N@@H+](CCO)C1CCOCC1)CCC2	ZINC000275656840	181378718	/nfs/dbraw/zinc/37/87/18/181378718.db2.gz	XSEABIIRIFHEMI-UHFFFAOYSA-N	1	0	363.483	1.910	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)C[C@H]3CC=CCC3)CC2)o1	ZINC000543175950	541542817	/nfs/dbraw/zinc/54/28/17/541542817.db2.gz	MKJJXOTUWKHPOG-INIZCTEOSA-N	1	0	357.458	1.791	20	30		FDEDRO
CC(C)C[NH+]1CCC(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1	ZINC000544837944	541840500	/nfs/dbraw/zinc/84/05/00/541840500.db2.gz	GYMUTSFJICYAAA-UHFFFAOYSA-N	1	0	370.501	1.905	20	30		FDEDRO
C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ncnn1C	ZINC000276928319	181685328	/nfs/dbraw/zinc/68/53/28/181685328.db2.gz	PMGOZOMUDZYUAF-CQSZACIVSA-N	1	0	355.446	1.521	20	30		FDEDRO
CC(=O)N1CCN(c2ccccc2C[NH2+]Cc2cc(C#N)n(C)c2)CC1	ZINC000276958825	181691270	/nfs/dbraw/zinc/69/12/70/181691270.db2.gz	LUSVCLHQRHAJSU-UHFFFAOYSA-N	1	0	351.454	1.855	20	30		FDEDRO
CC1=CC[N@H+](CCNC(=O)N2CCN(c3ncccc3C#N)CC2)CC1	ZINC000545153455	541880770	/nfs/dbraw/zinc/88/07/70/541880770.db2.gz	OZXAMZKNTFWCEF-UHFFFAOYSA-N	1	0	354.458	1.437	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cn3ccccc3=O)CC2)cc1	ZINC000042004585	205092777	/nfs/dbraw/zinc/09/27/77/205092777.db2.gz	WYZGNXJSURDALJ-UHFFFAOYSA-N	1	0	350.422	1.454	20	30		FDEDRO
C[C@@H](NC(=O)N1CCN(c2cccc(C#N)n2)CC1)C(C)(C)C[NH+](C)C	ZINC000545482713	541983345	/nfs/dbraw/zinc/98/33/45/541983345.db2.gz	HSYGGZRGJGEOTD-OAHLLOKOSA-N	1	0	358.490	1.761	20	30		FDEDRO
C[C@@]1(CO)CCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000546105775	542099644	/nfs/dbraw/zinc/09/96/44/542099644.db2.gz	YZZYPBBIYXMVAI-QUCCMNQESA-N	1	0	374.460	1.381	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)n1	ZINC000286529460	183088768	/nfs/dbraw/zinc/08/87/68/183088768.db2.gz	BMYBWNUVMGQYGH-MRXNPFEDSA-N	1	0	353.430	1.114	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000288667113	183538456	/nfs/dbraw/zinc/53/84/56/183538456.db2.gz	SFLXPWZFSFDQNA-UHFFFAOYSA-N	1	0	356.467	1.201	20	30		FDEDRO
N#Cc1cc(F)ccc1CS(=O)(=O)N1CCC[C@@H]1CN1CCOCC1	ZINC000295226896	184047323	/nfs/dbraw/zinc/04/73/23/184047323.db2.gz	NWOARLOEEBZSQZ-QGZVFWFLSA-N	1	0	367.446	1.324	20	30		FDEDRO
N#Cc1cc(F)ccc1CS(=O)(=O)NCCCC[N@H+]1CCC[C@H]1CO	ZINC000295515967	184079652	/nfs/dbraw/zinc/07/96/52/184079652.db2.gz	IDZMGWYLPJJIDI-KRWDZBQOSA-N	1	0	369.462	1.354	20	30		FDEDRO
N#Cc1cccc(-c2cc(C(=O)N[C@H]3CCC[N@@H+](CCCO)C3)on2)c1	ZINC000295545664	184081893	/nfs/dbraw/zinc/08/18/93/184081893.db2.gz	SLZRKOVSYHHVBJ-INIZCTEOSA-N	1	0	354.410	1.790	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNS(=O)(=O)Cc2ccc(F)cc2C#N)CCCO1	ZINC000296150956	184135233	/nfs/dbraw/zinc/13/52/33/184135233.db2.gz	KDDOBTXPLMWPLC-AWEZNQCLSA-N	1	0	369.462	1.618	20	30		FDEDRO
N#Cc1cc(Br)ccc1C(=O)N[C@H]1CCC[N@@H+](CCCO)C1	ZINC000296432005	184165398	/nfs/dbraw/zinc/16/53/98/184165398.db2.gz	MQCXYYPMLLPEDX-AWEZNQCLSA-N	1	0	366.259	1.897	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1	ZINC000297967044	184365385	/nfs/dbraw/zinc/36/53/85/184365385.db2.gz	SYACKGWDFKAQEW-ROUUACIJSA-N	1	0	354.454	1.459	20	30		FDEDRO
C[C@H](NC(=[NH2+])NCCCN1CCOCC1)c1ccc([S@](C)=O)cc1	ZINC000270024603	674155701	/nfs/dbraw/zinc/15/57/01/674155701.db2.gz	BVHQDIJLXKAHAR-BSEYFRJRSA-N	1	0	352.504	1.112	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@H]1CCCC[C@@H]1C(N)=O	ZINC000184839460	177647470	/nfs/dbraw/zinc/64/74/70/177647470.db2.gz	ZJBAZNAYLMMEQG-HOTGVXAUSA-N	1	0	366.425	1.316	20	30		FDEDRO
C[NH+](C)CC(C)(C)Cn1c(=O)/c(=C/c2cccs2)sc1=C(C#N)C#N	ZINC000170722035	258264566	/nfs/dbraw/zinc/26/45/66/258264566.db2.gz	MPMVYXOQTDEYFP-NVNXTCNLSA-N	1	0	372.519	1.586	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CCN1CC[NH+](CC2CCOCC2)CC1	ZINC000172423347	258276085	/nfs/dbraw/zinc/27/60/85/258276085.db2.gz	BYZSVQYWSDALOC-UHFFFAOYSA-N	1	0	356.470	1.931	20	30		FDEDRO
Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]Cc1ccc(C#N)s1	ZINC000548504739	542685845	/nfs/dbraw/zinc/68/58/45/542685845.db2.gz	ICQPCSXMBBTUNI-UHFFFAOYSA-N	1	0	358.470	1.158	20	30		FDEDRO
CCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000549346442	542871068	/nfs/dbraw/zinc/87/10/68/542871068.db2.gz	HPIPERZOUSDPRF-KRWDZBQOSA-N	1	0	366.469	1.995	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCO[C@H](CC)C1)C(C)C	ZINC000551222739	543254458	/nfs/dbraw/zinc/25/44/58/543254458.db2.gz	UBGLZNUWHJHLDV-SJORKVTESA-N	1	0	351.491	1.439	20	30		FDEDRO
N#Cc1cccc(C2(NC(=O)C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)CC2)c1	ZINC000551502063	543295627	/nfs/dbraw/zinc/29/56/27/543295627.db2.gz	OCUQCHZNSFWFKY-UHFFFAOYSA-N	1	0	372.388	1.883	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1	ZINC000551849155	543353485	/nfs/dbraw/zinc/35/34/85/543353485.db2.gz	RQKPTAZWGVBFET-GOEBONIOSA-N	1	0	351.491	1.463	20	30		FDEDRO
CN(CCC[N@H+](C)Cc1ccco1)C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000552408206	543463348	/nfs/dbraw/zinc/46/33/48/543463348.db2.gz	BOHKZJMFVRGKHE-UHFFFAOYSA-N	1	0	368.437	1.862	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC(C[NH+]2CCOCC2)CC1	ZINC000069030295	172025139	/nfs/dbraw/zinc/02/51/39/172025139.db2.gz	LRUWHHLAJHLEDA-MRXNPFEDSA-N	1	0	356.470	1.929	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@@H](N2CC[NH+](C[C@H]3CCOC3)CC2)C1=O	ZINC000083250093	172204357	/nfs/dbraw/zinc/20/43/57/172204357.db2.gz	VISCDNIECHSMRA-GDBMZVCRSA-N	1	0	360.483	1.379	20	30		FDEDRO
N#Cc1cccc(CNC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1	ZINC000089889536	172249669	/nfs/dbraw/zinc/24/96/69/172249669.db2.gz	JUNRXTAYDJJNGB-WOJBJXKFSA-N	1	0	364.449	1.993	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)n1	ZINC000091238719	172280534	/nfs/dbraw/zinc/28/05/34/172280534.db2.gz	PRZLCVZAHKQBDG-INIZCTEOSA-N	1	0	372.473	1.751	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)CC[C@H]21	ZINC000091249298	172282251	/nfs/dbraw/zinc/28/22/51/172282251.db2.gz	FOOBCOYZGWWRBA-DZGCQCFKSA-N	1	0	372.473	1.391	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(CCC(=O)Nc2ccccc2C#N)CC1	ZINC000103492571	172368348	/nfs/dbraw/zinc/36/83/48/172368348.db2.gz	HMNLLNWMDXCRPP-UHFFFAOYSA-N	1	0	371.485	1.373	20	30		FDEDRO
C[NH+](C)CC1CCC(NC(=O)N2CCN(c3ncccc3C#N)CC2)CC1	ZINC000125417385	173005660	/nfs/dbraw/zinc/00/56/60/173005660.db2.gz	WUAMURCJWGVWRX-UHFFFAOYSA-N	1	0	370.501	1.905	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)CC[C@@H]21	ZINC000126882538	173057590	/nfs/dbraw/zinc/05/75/90/173057590.db2.gz	RRZUSEXAYCAKNL-JSGCOSHPSA-N	1	0	364.427	1.571	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(N3CCCNC3=O)CC2)cc1	ZINC000135432351	173345240	/nfs/dbraw/zinc/34/52/40/173345240.db2.gz	NNDHMIFEFDIEDP-KRWDZBQOSA-N	1	0	358.442	1.178	20	30		FDEDRO
CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000151248847	173395764	/nfs/dbraw/zinc/39/57/64/173395764.db2.gz	PYDWDZHVNIDXBM-KRWDZBQOSA-N	1	0	352.442	1.738	20	30		FDEDRO
N#Cc1cc(Cl)ccc1S(=O)(=O)NCCCC[N@H+]1CCC[C@@H]1CO	ZINC000161728319	173750443	/nfs/dbraw/zinc/75/04/43/173750443.db2.gz	GRMQUKYOUMTMOB-OAHLLOKOSA-N	1	0	371.890	1.727	20	30		FDEDRO
C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccc(F)cc2C#N)C[C@H](C)O1	ZINC000175945550	174039384	/nfs/dbraw/zinc/03/93/84/174039384.db2.gz	HBXOMDBMQGFZNP-STQMWFEESA-N	1	0	362.405	1.251	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)NCCOc3ccc(C#N)cc3)C2)CC1	ZINC000175982282	174041831	/nfs/dbraw/zinc/04/18/31/174041831.db2.gz	PQGLGVLMXRFEPS-SFHVURJKSA-N	1	0	371.485	1.358	20	30		FDEDRO
CCO[C@H](CC[NH+](C)C)CNC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C	ZINC000176875637	174091624	/nfs/dbraw/zinc/09/16/24/174091624.db2.gz	JBGACISWUXIQBG-OAHLLOKOSA-N	1	0	362.474	1.269	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C[N@@H+]1C1CC1	ZINC000177202831	174113419	/nfs/dbraw/zinc/11/34/19/174113419.db2.gz	ZGXVKECRWQEDGA-SWLSCSKDSA-N	1	0	350.426	1.681	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1	ZINC000178016380	258327956	/nfs/dbraw/zinc/32/79/56/258327956.db2.gz	DDBRHQUXEGBXHY-HUUCEWRRSA-N	1	0	358.442	1.884	20	30		FDEDRO
CC(C)(O)C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CC1	ZINC000189982960	258388171	/nfs/dbraw/zinc/38/81/71/258388171.db2.gz	RSMNELLVRXNFNT-UHFFFAOYSA-N	1	0	353.426	1.918	20	30		FDEDRO
CC[C@@H]1CN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1CCOC	ZINC000247769461	258399509	/nfs/dbraw/zinc/39/95/09/258399509.db2.gz	OSXMCRRDZSHAIY-MJGOQNOKSA-N	1	0	356.470	1.706	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)NCCC3CC[NH+](C)CC3)CC2)o1	ZINC000279778333	258580873	/nfs/dbraw/zinc/58/08/73/258580873.db2.gz	LBRHRJJXVUOLAR-UHFFFAOYSA-N	1	0	359.474	1.919	20	30		FDEDRO
CC[N@H+](CCOC)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000553238605	543593504	/nfs/dbraw/zinc/59/35/04/543593504.db2.gz	RFETZSPGEMFTQX-OAHLLOKOSA-N	1	0	350.488	1.425	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@]3(C2)OCc2ccccc23)CC1	ZINC000553330737	543611076	/nfs/dbraw/zinc/61/10/76/543611076.db2.gz	SBMPTJWCZVLHRE-NRFANRHFSA-N	1	0	369.465	1.411	20	30		FDEDRO
Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@@H](C)c1ccc(C#N)cc1	ZINC000554847724	543880275	/nfs/dbraw/zinc/88/02/75/543880275.db2.gz	DFUMYLKGCDDETD-ZDUSSCGKSA-N	1	0	372.450	1.803	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(c2cnccc2C#N)CC1)C[NH+]1CCCCC1	ZINC000555542107	543969529	/nfs/dbraw/zinc/96/95/29/543969529.db2.gz	KDBFVUHMCWGJNZ-QGZVFWFLSA-N	1	0	370.501	1.907	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)c1ccc(C#N)cc1	ZINC000556037664	544079402	/nfs/dbraw/zinc/07/94/02/544079402.db2.gz	HMDHLYCEYNNDAZ-YJBOKZPZSA-N	1	0	372.469	1.305	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCCCCC1	ZINC000555912556	544053773	/nfs/dbraw/zinc/05/37/73/544053773.db2.gz	NGUFQCFAYXCAAG-KRWDZBQOSA-N	1	0	353.507	1.664	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@@H](C)OC[C@@H]1CC)C(C)C	ZINC000556209895	544118385	/nfs/dbraw/zinc/11/83/85/544118385.db2.gz	ZOFJVFPPCMYNTQ-FGTMMUONSA-N	1	0	365.518	1.827	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)CC1	ZINC000556740034	544189342	/nfs/dbraw/zinc/18/93/42/544189342.db2.gz	ODRCIZAXTQQTQL-NXHRZFHOSA-N	1	0	351.491	1.598	20	30		FDEDRO
N#CCC[C@@H](C#N)C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1	ZINC000556793574	544202289	/nfs/dbraw/zinc/20/22/89/544202289.db2.gz	DCCRBVJPORNWFC-UONOGXRCSA-N	1	0	352.485	1.792	20	30		FDEDRO
C[C@H]([NH2+]CCn1cnc(C#N)n1)c1ccc(OCc2nccn2C)cc1	ZINC000556925486	544221218	/nfs/dbraw/zinc/22/12/18/544221218.db2.gz	SRSDIVJOFHBFBY-AWEZNQCLSA-N	1	0	351.414	1.813	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2c(F)cccc2C#N)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000556956162	544225103	/nfs/dbraw/zinc/22/51/03/544225103.db2.gz	TYFAARYMAMRCOE-DNVCBOLYSA-N	1	0	358.461	1.724	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000557016451	544235165	/nfs/dbraw/zinc/23/51/65/544235165.db2.gz	BEDKFEDMYUAXRP-CABCVRRESA-N	1	0	353.532	1.791	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCO[C@@](C)(c3ccccc3)C2)CC1	ZINC000557733422	544337994	/nfs/dbraw/zinc/33/79/94/544337994.db2.gz	WKPGGPGYYPWPBZ-OAQYLSRUSA-N	1	0	371.481	1.527	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCS[C@H](C(C)C)C2)CC1	ZINC000557731936	544338011	/nfs/dbraw/zinc/33/80/11/544338011.db2.gz	YBTPINAQSUUVEO-INIZCTEOSA-N	1	0	353.532	1.743	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H](OC(C)C)C2(C)C)CC1	ZINC000557757601	544342582	/nfs/dbraw/zinc/34/25/82/544342582.db2.gz	ZXSVDSOQKMJBLU-IAGOWNOFSA-N	1	0	365.518	1.851	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@H](OC(C)C)C2(C)C)CC1	ZINC000557757604	544342634	/nfs/dbraw/zinc/34/26/34/544342634.db2.gz	ZXSVDSOQKMJBLU-IRXDYDNUSA-N	1	0	365.518	1.851	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](OCCC)CC2)CC1	ZINC000557766866	544344241	/nfs/dbraw/zinc/34/42/41/544344241.db2.gz	KXVCCLWNFSVVGX-SFHVURJKSA-N	1	0	365.518	1.951	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccnc(SC)c2)CC1	ZINC000557766966	544344320	/nfs/dbraw/zinc/34/43/20/544344320.db2.gz	JMMWBYSKTDHKMC-UHFFFAOYSA-N	1	0	362.499	1.576	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(C#N)CC2)[C@@H](C)C1	ZINC000558333032	544411530	/nfs/dbraw/zinc/41/15/30/544411530.db2.gz	SEHJODBJLKZYFV-RDJZCZTQSA-N	1	0	364.490	1.002	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[N@H+]1CCCC[C@H]1CC	ZINC000558361376	544415015	/nfs/dbraw/zinc/41/50/15/544415015.db2.gz	PJNUIDTZTGFZRN-BBWFWOEESA-N	1	0	351.491	1.465	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)C1	ZINC000559716098	544773043	/nfs/dbraw/zinc/77/30/43/544773043.db2.gz	KHCCVRMGVAPTAT-RDJZCZTQSA-N	1	0	356.470	1.830	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)C1	ZINC000559716095	544773139	/nfs/dbraw/zinc/77/31/39/544773139.db2.gz	KHCCVRMGVAPTAT-DOTOQJQBSA-N	1	0	356.470	1.830	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCCSCC1)C(C)C	ZINC000559863408	544826060	/nfs/dbraw/zinc/82/60/60/544826060.db2.gz	BSQGTXNRAKADBB-INIZCTEOSA-N	1	0	353.532	1.767	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCOC2(CCC2)C1)C(C)C	ZINC000559866952	544826556	/nfs/dbraw/zinc/82/65/56/544826556.db2.gz	OVZVRRQOHRXNPR-QGZVFWFLSA-N	1	0	363.502	1.583	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1	ZINC000298594842	258942103	/nfs/dbraw/zinc/94/21/03/258942103.db2.gz	PQQKZXUYMPADCA-IBGZPJMESA-N	1	0	368.481	1.994	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000299478072	259000415	/nfs/dbraw/zinc/00/04/15/259000415.db2.gz	CBOXKWWGLIIYHE-AWEZNQCLSA-N	1	0	355.398	1.549	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1	ZINC000331370086	259189741	/nfs/dbraw/zinc/18/97/41/259189741.db2.gz	IBZBVGVPKPJZNR-HXUWFJFHSA-N	1	0	373.453	1.395	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1	ZINC000331822040	259221986	/nfs/dbraw/zinc/22/19/86/259221986.db2.gz	PQCQXMZVQPLRHG-SOUVJXGZSA-N	1	0	357.458	1.639	20	30		FDEDRO
C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000332285652	259254814	/nfs/dbraw/zinc/25/48/14/259254814.db2.gz	IECXVEUOQGLKMU-DYVFJYSZSA-N	1	0	352.442	1.738	20	30		FDEDRO
C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC[N@@H+]1C	ZINC000332416004	259265107	/nfs/dbraw/zinc/26/51/07/259265107.db2.gz	UJTYREOSTXNXOB-DYVFJYSZSA-N	1	0	352.442	1.881	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)C2=O)cc1	ZINC000333667498	259368119	/nfs/dbraw/zinc/36/81/19/259368119.db2.gz	XUDAKTSIZQIKCI-KSZLIROESA-N	1	0	367.453	1.053	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)NC1CCC(N2CC[NH2+]CC2)CC1	ZINC000333831252	259385396	/nfs/dbraw/zinc/38/53/96/259385396.db2.gz	JLMFGWWEMKNJSA-UHFFFAOYSA-N	1	0	362.499	1.361	20	30		FDEDRO
N#Cc1ccccc1N1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1	ZINC000333892352	259390841	/nfs/dbraw/zinc/39/08/41/259390841.db2.gz	HEXVPYLVKPZITK-RCCFBDPRSA-N	1	0	353.470	1.778	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC(CC[NH+]3CCOCC3)CC2)s1	ZINC000367183352	260006711	/nfs/dbraw/zinc/00/67/11/260006711.db2.gz	BZFWSSHWAKSIBM-UHFFFAOYSA-N	1	0	369.512	1.743	20	30		FDEDRO
COC(=O)c1cc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cn1C	ZINC000367371063	260032313	/nfs/dbraw/zinc/03/23/13/260032313.db2.gz	OGFVTIBZMHBIQA-UHFFFAOYSA-N	1	0	353.426	1.837	20	30		FDEDRO
C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000367629432	260070445	/nfs/dbraw/zinc/07/04/45/260070445.db2.gz	YQJCVNMZJLOZEZ-QWRGUYRKSA-N	1	0	365.352	1.898	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1[NH2+]CCc2ccccc21	ZINC000367697704	260078744	/nfs/dbraw/zinc/07/87/44/260078744.db2.gz	MYHNINSEXMMABM-OAHLLOKOSA-N	1	0	372.406	1.632	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21	ZINC000368021840	260124775	/nfs/dbraw/zinc/12/47/75/260124775.db2.gz	TYGYWSNSULYDKW-MAUKXSAKSA-N	1	0	366.469	1.703	20	30		FDEDRO
CN(C)S(=O)(=O)N1CCCN(Cc2ccc(F)c(C#N)c2Cl)CC1	ZINC000368225637	260153272	/nfs/dbraw/zinc/15/32/72/260153272.db2.gz	LSIDZQKGWMPPES-UHFFFAOYSA-N	1	0	374.869	1.665	20	30		FDEDRO
CC(C)NC(=O)CN1CCC[N@H+](CCC(=O)Nc2ccccc2C#N)CC1	ZINC000368788347	260237019	/nfs/dbraw/zinc/23/70/19/260237019.db2.gz	QKLUPJLHHQYHRZ-UHFFFAOYSA-N	1	0	371.485	1.419	20	30		FDEDRO
COC(=O)c1cn([C@H]2CCC[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)nn1	ZINC000368843473	260247237	/nfs/dbraw/zinc/24/72/37/260247237.db2.gz	LYXYIQNDZISFEL-DOTOQJQBSA-N	1	0	355.398	1.307	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000369276072	260331296	/nfs/dbraw/zinc/33/12/96/260331296.db2.gz	FGELPOLXTNKONJ-DOTOQJQBSA-N	1	0	356.470	1.610	20	30		FDEDRO
CN(C)c1cc[nH+]cc1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000373377411	261005503	/nfs/dbraw/zinc/00/55/03/261005503.db2.gz	KFEARXITIAZBRS-UHFFFAOYSA-N	1	0	350.426	1.813	20	30		FDEDRO
N#Cc1cccc(OCCCN2CCN(CC[N@@H+]3CCCOCC3)CC2)c1	ZINC000373568745	261020802	/nfs/dbraw/zinc/02/08/02/261020802.db2.gz	OCPRQRYQGYKABH-UHFFFAOYSA-N	1	0	372.513	1.667	20	30		FDEDRO
N#Cc1ncn(C2CCN(c3cc(N4CCCC[C@H]4CO)ncn3)CC2)n1	ZINC000373646259	261026961	/nfs/dbraw/zinc/02/69/61/261026961.db2.gz	HDKSKGDLXFFOME-HNNXBMFYSA-N	1	0	368.445	1.132	20	30		FDEDRO
Cn1c(NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c(C#N)c(=O)n(C)c1=O	ZINC000373986899	261061930	/nfs/dbraw/zinc/06/19/30/261061930.db2.gz	VCDWDOFREZEUFS-HXUWFJFHSA-N	1	0	367.453	1.280	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCCC[C@@H]1C(=[NH2+])NO	ZINC000374177574	261090135	/nfs/dbraw/zinc/09/01/35/261090135.db2.gz	UBVISGWBMWFZGT-OAHLLOKOSA-N	1	0	367.413	1.493	20	30		FDEDRO
N#Cc1ccc(S(N)(=O)=O)cc1NC1CCN(c2ccccn2)CC1	ZINC000375298252	261308521	/nfs/dbraw/zinc/30/85/21/261308521.db2.gz	AOMAZQDKUDJZBP-UHFFFAOYSA-N	1	0	357.439	1.682	20	30		FDEDRO
Cc1nc2sccn2c(=O)c1CC[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000375688429	261399296	/nfs/dbraw/zinc/39/92/96/261399296.db2.gz	JPSVPFAUPGXOGN-UHFFFAOYSA-N	1	0	369.454	1.407	20	30		FDEDRO
N#Cc1cccc(-n2ccc(C(=O)NCCCC[N@H+]3CCC[C@H]3CO)n2)c1	ZINC000409869475	262143047	/nfs/dbraw/zinc/14/30/47/262143047.db2.gz	QHPLTJUFETUPRT-SFHVURJKSA-N	1	0	367.453	1.711	20	30		FDEDRO
C=CCCn1cc(CNCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nn1	ZINC000657340108	782046727	/nfs/dbraw/zinc/04/67/27/782046727.db2.gz	ZOKQKLLEJNEATB-UHFFFAOYSA-N	1	0	355.490	1.551	20	30		FDEDRO
CC[C@@H]1C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@@H]1O	ZINC000270968194	674293124	/nfs/dbraw/zinc/29/31/24/674293124.db2.gz	VVRDODBSUSQGFI-ZBFHGGJFSA-N	1	0	354.372	1.876	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)NC[C@@H]3C[NH2+]CCO3)n2)c(Cl)c1	ZINC000520542621	490160810	/nfs/dbraw/zinc/16/08/10/490160810.db2.gz	SWNDNAVKYWMNKB-LBPRGKRZSA-N	1	0	360.805	1.507	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1C#N	ZINC000535505754	490496433	/nfs/dbraw/zinc/49/64/33/490496433.db2.gz	RUZAEXHKRZHHBT-ZDUSSCGKSA-N	1	0	366.425	1.425	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1	ZINC000536975361	490629330	/nfs/dbraw/zinc/62/93/30/490629330.db2.gz	ZGBXPQRZBYGTQL-CYBMUJFWSA-N	1	0	360.462	1.295	20	30		FDEDRO
CC(C)[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CCN1C	ZINC000488613034	490766819	/nfs/dbraw/zinc/76/68/19/490766819.db2.gz	WRKVYLVJLGIJBJ-AWEZNQCLSA-N	1	0	360.462	1.247	20	30		FDEDRO
C[NH+](C)CCCNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1	ZINC000541158323	490853723	/nfs/dbraw/zinc/85/37/23/490853723.db2.gz	WYZBYWARBFPOTH-UHFFFAOYSA-N	1	0	374.832	1.404	20	30		FDEDRO
CC[N@H+](C)CCNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1	ZINC000543001503	490918119	/nfs/dbraw/zinc/91/81/19/490918119.db2.gz	JXBNYMKUIJXMAY-UHFFFAOYSA-N	1	0	374.832	1.404	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[NH+](C)C	ZINC000611870913	491879989	/nfs/dbraw/zinc/87/99/89/491879989.db2.gz	VFNGIVXTXAUADF-LLVKDONJSA-N	1	0	374.832	1.402	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H](C)[C@H]1CN(C)CCO1	ZINC000613161010	491970549	/nfs/dbraw/zinc/97/05/49/491970549.db2.gz	MQVJAWUHNIEFSC-DZGCQCFKSA-N	1	0	369.429	1.288	20	30		FDEDRO
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)n1	ZINC000611359018	492286406	/nfs/dbraw/zinc/28/64/06/492286406.db2.gz	CYAFGNDYQANHQL-KBPBESRZSA-N	1	0	358.446	1.191	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC2CC[NH+](CC)CC2)c1	ZINC000029608043	519301954	/nfs/dbraw/zinc/30/19/54/519301954.db2.gz	FLJQJDHOBWFYJT-UHFFFAOYSA-N	1	0	351.472	1.365	20	30		FDEDRO
CC[NH+](CC)[C@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)c1ccsc1	ZINC000029622880	519305089	/nfs/dbraw/zinc/30/50/89/519305089.db2.gz	ZXJGFVZBFGSNHO-CQSZACIVSA-N	1	0	361.471	1.512	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)NCC2([NH+](C)C)CCCC2)c1	ZINC000042764759	521781603	/nfs/dbraw/zinc/78/16/03/521781603.db2.gz	IKSWZTSFTVEQJQ-UHFFFAOYSA-N	1	0	363.483	1.202	20	30		FDEDRO
Cc1ccccc1C[NH+]1CCC(NS(=O)(=O)N(C)CCC#N)CC1	ZINC000056093679	521786302	/nfs/dbraw/zinc/78/63/02/521786302.db2.gz	MYURRVVFXDKIKP-UHFFFAOYSA-N	1	0	350.488	1.639	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(Cc3cn4ccccc4n3)CC2)CC1	ZINC000057140109	522010675	/nfs/dbraw/zinc/01/06/75/522010675.db2.gz	MOYOFTSEXJWJKG-UHFFFAOYSA-N	1	0	365.481	1.324	20	30		FDEDRO
Cc1nnc(N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c(C#N)c1C	ZINC000057139863	522011527	/nfs/dbraw/zinc/01/15/27/522011527.db2.gz	NTROLCHGKWLIQW-UHFFFAOYSA-N	1	0	372.517	1.886	20	30		FDEDRO
Cc1ccc([C@@H](CNc2c(C#N)c(=O)n(C)c(=O)n2C)[NH+]2CCCC2)cc1	ZINC000057829782	522165358	/nfs/dbraw/zinc/16/53/58/522165358.db2.gz	MGJZTHITYPNLLN-QGZVFWFLSA-N	1	0	367.453	1.513	20	30		FDEDRO
C[C@@H](C#N)CN(C)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000046636197	522331696	/nfs/dbraw/zinc/33/16/96/522331696.db2.gz	VGAAQLFDJWWXOR-SFHVURJKSA-N	1	0	357.502	1.995	20	30		FDEDRO
CC[C@H](CO)[NH+]1CCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1	ZINC000072797381	522382891	/nfs/dbraw/zinc/38/28/91/522382891.db2.gz	KWIIBLHGKRCBFJ-AGYKMIKPSA-N	1	0	364.534	1.694	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@]3(CNC(=O)C3)C2)c(OC)c1	ZINC000072830224	522395675	/nfs/dbraw/zinc/39/56/75/522395675.db2.gz	UJOSARFZMJEKGN-DYESRHJHSA-N	1	0	374.481	1.766	20	30		FDEDRO
NC(=[NH+]OCc1nc(C2CC2)no1)c1ccc(N2CCC(O)CC2)cc1	ZINC000072921400	522427624	/nfs/dbraw/zinc/42/76/24/522427624.db2.gz	CFNRPBPCGPXJSO-UHFFFAOYSA-N	1	0	357.414	1.745	20	30		FDEDRO
C[NH+]=C(NC[C@@H](c1ccco1)N(C)C)N1CCN(C(=O)c2ccco2)CC1	ZINC000073177368	522485508	/nfs/dbraw/zinc/48/55/08/522485508.db2.gz	FFPBDVGPLVYYHW-HNNXBMFYSA-N	1	0	373.457	1.509	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C	ZINC000073572653	522551254	/nfs/dbraw/zinc/55/12/54/522551254.db2.gz	RIIJWZKXPUDPRM-UHFFFAOYSA-N	1	0	356.474	1.999	20	30		FDEDRO
C[NH+]1CCC(n2c(=O)/c(=C/c3ccccc3F)sc2=C(C#N)C#N)CC1	ZINC000063452552	522592371	/nfs/dbraw/zinc/59/23/71/522592371.db2.gz	IBSFSDROWAWNRA-YVLHZVERSA-N	1	0	368.437	1.342	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC2(CNC(=O)C2)CC1)C(C)C	ZINC000073710624	522593565	/nfs/dbraw/zinc/59/35/65/522593565.db2.gz	KIXGEUXNBTVDLH-KRWDZBQOSA-N	1	0	362.518	1.997	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(N)=O)cn1	ZINC000063505481	522600185	/nfs/dbraw/zinc/60/01/85/522600185.db2.gz	KFWSYKMSPZTUDR-UHFFFAOYSA-N	1	0	351.410	1.256	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)Cc1ccccc1	ZINC000048833816	522786917	/nfs/dbraw/zinc/78/69/17/522786917.db2.gz	CGJNDCMQIQEAFY-GOSISDBHSA-N	1	0	350.422	1.786	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCCOc3ccc(C#N)cc3)CC2)C1	ZINC000074736741	522828191	/nfs/dbraw/zinc/82/81/91/522828191.db2.gz	PRSLKUUCNVLCHM-SFHVURJKSA-N	1	0	371.485	1.358	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000050202736	522899834	/nfs/dbraw/zinc/89/98/34/522899834.db2.gz	MBEFOBRGRPASRE-KRWDZBQOSA-N	1	0	370.453	1.238	20	30		FDEDRO
Cc1sc(=O)n(CC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1C	ZINC000065930199	522921776	/nfs/dbraw/zinc/92/17/76/522921776.db2.gz	IDAVYFQTMQWGLK-UHFFFAOYSA-N	1	0	372.494	1.989	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCC[N@@H+](C)[C@H](C)CC)c1	ZINC000066127284	522961980	/nfs/dbraw/zinc/96/19/80/522961980.db2.gz	KWBGKIUFHBHXBC-CQSZACIVSA-N	1	0	353.488	1.611	20	30		FDEDRO
CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C1	ZINC000051049252	522965403	/nfs/dbraw/zinc/96/54/03/522965403.db2.gz	GFPOQKXLPWKXSI-SJORKVTESA-N	1	0	361.490	1.659	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CC1(c2ccc(F)cc2)CCOCC1	ZINC000066390329	523044440	/nfs/dbraw/zinc/04/44/40/523044440.db2.gz	BULCVWPLTPKTFF-CQSZACIVSA-N	1	0	363.433	1.864	20	30		FDEDRO
CC[NH+]1CCC(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1	ZINC000066454027	523064261	/nfs/dbraw/zinc/06/42/61/523064261.db2.gz	BEPGDXBPGBXBLQ-UHFFFAOYSA-N	1	0	363.483	1.321	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)ncn3C)CC1	ZINC000076282894	523065651	/nfs/dbraw/zinc/06/56/51/523065651.db2.gz	XUEJCEOQYXYKER-UHFFFAOYSA-N	1	0	355.442	1.669	20	30		FDEDRO
COc1ccc(C[N@@H+]2CCCN(C(=O)CN(C)C[C@@H](C)C#N)CC2)cc1	ZINC000066469414	523067571	/nfs/dbraw/zinc/06/75/71/523067571.db2.gz	SSWPBNQYUGQCKY-KRWDZBQOSA-N	1	0	358.486	1.821	20	30		FDEDRO
C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1	ZINC000076297950	523070621	/nfs/dbraw/zinc/07/06/21/523070621.db2.gz	OIBCKMWFIMLZKI-INIZCTEOSA-N	1	0	374.485	1.332	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C1(c2cccc(Br)c2)CCOCC1	ZINC000066496513	523085968	/nfs/dbraw/zinc/08/59/68/523085968.db2.gz	DUGHBEJBJHVVLI-UHFFFAOYSA-N	1	0	352.232	1.684	20	30		FDEDRO
C[NH+](C)CCc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2)cc1	ZINC000076587465	523142709	/nfs/dbraw/zinc/14/27/09/523142709.db2.gz	UJUVUQBQQVFCHM-UHFFFAOYSA-N	1	0	350.422	1.917	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH+](CC)CC)C2)c1	ZINC000076645370	523156185	/nfs/dbraw/zinc/15/61/85/523156185.db2.gz	YWHZTBRSVGJANZ-INIZCTEOSA-N	1	0	357.454	1.827	20	30		FDEDRO
CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)C1	ZINC000076672640	523167455	/nfs/dbraw/zinc/16/74/55/523167455.db2.gz	AZQXAICBZKQQNM-MRXNPFEDSA-N	1	0	370.457	1.715	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)C1	ZINC000077731578	523437186	/nfs/dbraw/zinc/43/71/86/523437186.db2.gz	DGAJQKHOLWZRCP-INIZCTEOSA-N	1	0	370.457	1.763	20	30		FDEDRO
C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000077740016	523438924	/nfs/dbraw/zinc/43/89/24/523438924.db2.gz	BLMSQUAVNRBIGS-MRXNPFEDSA-N	1	0	364.449	1.876	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2nc(C(C)(C)C)ns2)CC1	ZINC000077759513	523450978	/nfs/dbraw/zinc/45/09/78/523450978.db2.gz	REWLXUZYGCNNFZ-UHFFFAOYSA-N	1	0	365.503	1.931	20	30		FDEDRO
C=C(C)COc1cccc(NC(=O)C(=O)NCCC[N@@H+](C)CCOC)c1	ZINC000067525048	523480099	/nfs/dbraw/zinc/48/00/99/523480099.db2.gz	JTXJNTKGKWXZHP-UHFFFAOYSA-N	1	0	363.458	1.665	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)CC2)c1	ZINC000079457538	523751385	/nfs/dbraw/zinc/75/13/85/523751385.db2.gz	AMVANZWGTPSYEB-MRXNPFEDSA-N	1	0	354.458	1.269	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)CC1	ZINC000172029922	524097883	/nfs/dbraw/zinc/09/78/83/524097883.db2.gz	LDMBWCVKAAAEPX-SFHVURJKSA-N	1	0	356.470	1.910	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Cc1ccc(OCC#N)cc1	ZINC000110683458	524121125	/nfs/dbraw/zinc/12/11/25/524121125.db2.gz	SKACTMKLIKLWLN-GOSISDBHSA-N	1	0	372.469	1.190	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3F)CC2)CCO1	ZINC000136021348	524180030	/nfs/dbraw/zinc/18/00/30/524180030.db2.gz	SOGMAAGGGLOJEM-ZDUSSCGKSA-N	1	0	374.416	1.348	20	30		FDEDRO
O=C(C#Cc1ccc2c(c1)OCO2)N1CCC(C[NH+]2CCOCC2)CC1	ZINC000136175008	524187199	/nfs/dbraw/zinc/18/71/99/524187199.db2.gz	LEVRNUJPKLXUGQ-UHFFFAOYSA-N	1	0	356.422	1.338	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC(c3ccnn3CCO)CC2)CC1	ZINC000172584886	524244288	/nfs/dbraw/zinc/24/42/88/524244288.db2.gz	TYRVATQPKLFBCJ-UHFFFAOYSA-N	1	0	361.490	1.415	20	30		FDEDRO
Cc1nccn1CCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=N	ZINC000139165701	524276628	/nfs/dbraw/zinc/27/66/28/524276628.db2.gz	HEHKYDJNVQVSGF-UHFFFAOYSA-N	1	0	350.426	1.851	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1	ZINC000172924066	524290016	/nfs/dbraw/zinc/29/00/16/524290016.db2.gz	SSPGXAKHLPWWJF-UHFFFAOYSA-N	1	0	357.454	1.229	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000111493390	524291698	/nfs/dbraw/zinc/29/16/98/524291698.db2.gz	VRBHHUKUIXARBT-QGZVFWFLSA-N	1	0	374.485	1.638	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)[C@H](C)C1	ZINC000121576076	524297854	/nfs/dbraw/zinc/29/78/54/524297854.db2.gz	LCPWDXYEQQJWEZ-TZMCWYRMSA-N	1	0	366.443	1.817	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCCN(c3nc(C)ns3)CC2)CC1	ZINC000173197748	524343220	/nfs/dbraw/zinc/34/32/20/524343220.db2.gz	SKVBTAZSKUZYGF-UHFFFAOYSA-N	1	0	364.519	1.719	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c1	ZINC000173220128	524346386	/nfs/dbraw/zinc/34/63/86/524346386.db2.gz	WTXPYZYJVMVPBM-QGZVFWFLSA-N	1	0	368.437	1.780	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c1	ZINC000173290571	524365066	/nfs/dbraw/zinc/36/50/66/524365066.db2.gz	LCYRWABBBRSAMN-UHFFFAOYSA-N	1	0	369.465	1.710	20	30		FDEDRO
COC[C@@](C)(CCO)[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000085902874	524374132	/nfs/dbraw/zinc/37/41/32/524374132.db2.gz	YSAXQXTWAKMSEE-QGZVFWFLSA-N	1	0	372.387	1.550	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1	ZINC000121862484	524388580	/nfs/dbraw/zinc/38/85/80/524388580.db2.gz	RHPKPJQRUGEXCC-MRXNPFEDSA-N	1	0	374.533	1.346	20	30		FDEDRO
C[NH+]=C(NCC1CCSCC1)N1CCN(C(=O)c2ccco2)CC1	ZINC000086822847	524403137	/nfs/dbraw/zinc/40/31/37/524403137.db2.gz	BFDJKVPODYAULN-UHFFFAOYSA-N	1	0	350.488	1.756	20	30		FDEDRO
N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H](CN2CCOCC2)C1	ZINC000112201004	524424436	/nfs/dbraw/zinc/42/44/36/524424436.db2.gz	ZALKWYPSYHYAMG-HNNXBMFYSA-N	1	0	362.499	1.993	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC(=O)N1CCCC1	ZINC000122066800	524443851	/nfs/dbraw/zinc/44/38/51/524443851.db2.gz	FQNQMQGHURMBPN-UHFFFAOYSA-N	1	0	357.458	1.254	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)CC1	ZINC000173736689	524449529	/nfs/dbraw/zinc/44/95/29/524449529.db2.gz	RXVQISBVGMIOIY-HXUWFJFHSA-N	1	0	369.513	1.423	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccccc1OC(F)F	ZINC000122145014	524461702	/nfs/dbraw/zinc/46/17/02/524461702.db2.gz	VVSJGNOVFRQQDS-UHFFFAOYSA-N	1	0	368.384	1.920	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc1	ZINC000173852286	524468452	/nfs/dbraw/zinc/46/84/52/524468452.db2.gz	IVZNKTADVYOKDZ-UHFFFAOYSA-N	1	0	363.483	1.824	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+]CCNS(=O)(=O)c3cccs3)n2c1	ZINC000122261279	524492261	/nfs/dbraw/zinc/49/22/61/524492261.db2.gz	RGUITBWWNFBKEM-UHFFFAOYSA-N	1	0	361.452	1.336	20	30		FDEDRO
C[NH+]=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158627007	524502051	/nfs/dbraw/zinc/50/20/51/524502051.db2.gz	POSHQQJDZMRANI-UHFFFAOYSA-N	1	0	368.459	1.222	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000112550287	524504244	/nfs/dbraw/zinc/50/42/44/524504244.db2.gz	DDVQOJVDGYDWJX-WDEREUQCSA-N	1	0	356.455	1.632	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Oc2ccc(OC)cc2)c1C#N	ZINC000089675357	524519874	/nfs/dbraw/zinc/51/98/74/524519874.db2.gz	KSRMVXKGRQNKIN-LBPRGKRZSA-N	1	0	357.414	1.848	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccnc(OCC(F)F)c2)c1C#N	ZINC000089675828	524519879	/nfs/dbraw/zinc/51/98/79/524519879.db2.gz	CHEJTGGMTCNQNF-UHFFFAOYSA-N	1	0	364.356	1.725	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Br)cn2)c1C#N	ZINC000089677405	524520541	/nfs/dbraw/zinc/52/05/41/524520541.db2.gz	XSLGQSLPTQRJPP-UHFFFAOYSA-N	1	0	363.219	1.843	20	30		FDEDRO
C[C@H](c1nc(-c2cccnc2)no1)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000089943435	524557892	/nfs/dbraw/zinc/55/78/92/524557892.db2.gz	WNWCBGGISWUVRC-LLVKDONJSA-N	1	0	352.402	1.934	20	30		FDEDRO
C[NH+]=C(NCc1ccc(S(N)(=O)=O)s1)NC[C@@]1(C)CCCS1	ZINC000159279142	524632414	/nfs/dbraw/zinc/63/24/14/524632414.db2.gz	QWUMSAAMQZWPOM-CYBMUJFWSA-N	1	0	362.546	1.346	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@H](C)CC#N)c(C)c2)CC1	ZINC000123002413	524660925	/nfs/dbraw/zinc/66/09/25/524660925.db2.gz	MHPSQUGWNNLTHT-OAHLLOKOSA-N	1	0	357.458	1.494	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)n1	ZINC000091229286	524669850	/nfs/dbraw/zinc/66/98/50/524669850.db2.gz	NREANPAVSAHAQD-AWEZNQCLSA-N	1	0	360.462	1.511	20	30		FDEDRO
C[C@@H](C#N)CNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1	ZINC000091281405	524686834	/nfs/dbraw/zinc/68/68/34/524686834.db2.gz	MZMIYRLDGWSKQZ-HNNXBMFYSA-N	1	0	369.469	1.433	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)N1CC[NH+](CC2CCCCC2)CC1	ZINC000114177012	524753979	/nfs/dbraw/zinc/75/39/79/524753979.db2.gz	QIJHCDGLSIUFGH-VXPUYCOJSA-N	1	0	374.485	1.627	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3cccc(C)c3C#N)C2)CC1	ZINC000174846058	524760707	/nfs/dbraw/zinc/76/07/07/524760707.db2.gz	ZAPVCYPYBKXNCM-MRXNPFEDSA-N	1	0	369.469	1.044	20	30		FDEDRO
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000152155044	524797401	/nfs/dbraw/zinc/79/74/01/524797401.db2.gz	NSDHVWPTDSJRBO-RFGMHMOMSA-N	1	0	354.454	1.623	20	30		FDEDRO
COC1CC[NH+](CCNC(=O)CCCC(=O)Nc2ccccc2C#N)CC1	ZINC000152215496	524814104	/nfs/dbraw/zinc/81/41/04/524814104.db2.gz	OQRMGEFMQCAQDL-UHFFFAOYSA-N	1	0	372.469	1.894	20	30		FDEDRO
CCN(CCC#N)C(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1	ZINC000123882261	524853668	/nfs/dbraw/zinc/85/36/68/524853668.db2.gz	YPATXLQAZVQGLL-UHFFFAOYSA-N	1	0	371.485	1.918	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)CC1	ZINC000160407728	524881139	/nfs/dbraw/zinc/88/11/39/524881139.db2.gz	FZEVOXQWXGWOOQ-UHFFFAOYSA-N	1	0	352.431	1.654	20	30		FDEDRO
N#Cc1ccccc1OCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000160459527	524893502	/nfs/dbraw/zinc/89/35/02/524893502.db2.gz	BTNBRYMRPAGUHI-MSOLQXFVSA-N	1	0	357.454	1.821	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCc3ccccc3CC2)CC1	ZINC000092618725	524901225	/nfs/dbraw/zinc/90/12/25/524901225.db2.gz	WZAUXNNGRVUZSK-FQEVSTJZSA-N	1	0	354.498	1.780	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](Nc3ccccc3)C2)CC1	ZINC000092642997	524902827	/nfs/dbraw/zinc/90/28/27/524902827.db2.gz	KFDNXKBIOICHLI-VQTJNVASSA-N	1	0	369.513	1.865	20	30		FDEDRO
C[NH+](C)C1CCN(CCNC(=O)NCCOc2ccc(C#N)cc2)CC1	ZINC000175820432	525014541	/nfs/dbraw/zinc/01/45/41/525014541.db2.gz	FFLUYBOYVJPZKA-UHFFFAOYSA-N	1	0	359.474	1.262	20	30		FDEDRO
C[NH+]=C(NCCc1c(C)noc1C)N[C@H]1CCc2nnc(C(C)C)n2C1	ZINC000176033827	525046109	/nfs/dbraw/zinc/04/61/09/525046109.db2.gz	GLDAEWRTTHQJCQ-AWEZNQCLSA-N	1	0	359.478	1.729	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1	ZINC000176110118	525055433	/nfs/dbraw/zinc/05/54/33/525055433.db2.gz	TVDMMEOIXJKMAK-QGZVFWFLSA-N	1	0	358.442	1.453	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1	ZINC000115882518	525082697	/nfs/dbraw/zinc/08/26/97/525082697.db2.gz	PWFCDVOJCGASEI-UHFFFAOYSA-N	1	0	358.442	1.110	20	30		FDEDRO
C[C@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)N(C)CCC#N)CC1	ZINC000116358090	525139680	/nfs/dbraw/zinc/13/96/80/525139680.db2.gz	JAWSNRRAMMDINY-OAHLLOKOSA-N	1	0	350.488	1.892	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@H]1CCCO[C@@H]1c1ccc(C)cc1	ZINC000176650484	525160442	/nfs/dbraw/zinc/16/04/42/525160442.db2.gz	GFJRFJWCBJDPKZ-WOJBJXKFSA-N	1	0	374.529	1.960	20	30		FDEDRO
CC[NH+]=C(NCc1cccc2c1OCO2)N1CCO[C@@H](c2cnn(C)c2)C1	ZINC000153267982	525162205	/nfs/dbraw/zinc/16/22/05/525162205.db2.gz	QHIFNCLCHAXUKL-QGZVFWFLSA-N	1	0	371.441	1.688	20	30		FDEDRO
CC(C)[C@H](CCO)[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000162002809	525201863	/nfs/dbraw/zinc/20/18/63/525201863.db2.gz	NPYKJLKXRJMKJR-JKSUJKDBSA-N	1	0	364.515	1.454	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000125484953	525205276	/nfs/dbraw/zinc/20/52/76/525205276.db2.gz	UPRFWMKIKSXMNT-LBPRGKRZSA-N	1	0	351.414	1.627	20	30		FDEDRO
N#Cc1ccccc1N1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1	ZINC000101554249	525231833	/nfs/dbraw/zinc/23/18/33/525231833.db2.gz	LJPYZOJQGOKIBK-UHFFFAOYSA-N	1	0	367.497	1.423	20	30		FDEDRO
C[NH+]1CCN(Cc2cccc(C(=O)NC3(C#N)CCSCC3)c2)CC1	ZINC000162472289	525266368	/nfs/dbraw/zinc/26/63/68/525266368.db2.gz	FTPSYTIWESEYCO-UHFFFAOYSA-N	1	0	358.511	1.953	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1	ZINC000126165593	525280357	/nfs/dbraw/zinc/28/03/57/525280357.db2.gz	WJPZYEXZZXOIJT-PBHICJAKSA-N	1	0	365.499	1.563	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H](C)[C@H]1CCOC1	ZINC000162646951	525290940	/nfs/dbraw/zinc/29/09/40/525290940.db2.gz	XTVYQYQCVPFQJG-ZBFHGGJFSA-N	1	0	362.474	1.966	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NC[C@@H](C)C#N	ZINC000177590090	525316185	/nfs/dbraw/zinc/31/61/85/525316185.db2.gz	QPCHXQHQPAGJMZ-ZDUSSCGKSA-N	1	0	366.487	1.115	20	30		FDEDRO
O=C(C#Cc1ccc2c(c1)OCO2)NC1CC[NH+](Cc2ccncc2)CC1	ZINC000177898485	525358986	/nfs/dbraw/zinc/35/89/86/525358986.db2.gz	SPIBADMXXUAEOP-UHFFFAOYSA-N	1	0	363.417	1.943	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000177895492	525359996	/nfs/dbraw/zinc/35/99/96/525359996.db2.gz	XJMVMBOWUXCGJB-UHFFFAOYSA-N	1	0	359.405	1.469	20	30		FDEDRO
C[NH+]=C(NCc1cc2c(cc1OC)C[C@@H](C)O2)N[C@@H]1CCc2ncnn2C1	ZINC000153914238	525361037	/nfs/dbraw/zinc/36/10/37/525361037.db2.gz	CGAIGYCXEIICGK-IUODEOHRSA-N	1	0	370.457	1.290	20	30		FDEDRO
C[NH+](C)CCNC(=O)C1CCN(C(=O)c2ccc(C#N)c(Cl)c2)CC1	ZINC000127140050	525388156	/nfs/dbraw/zinc/38/81/56/525388156.db2.gz	BUXPGDMGVKLZLB-UHFFFAOYSA-N	1	0	362.861	1.742	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccc(OC)c(F)c2)CC1	ZINC000104173304	525398228	/nfs/dbraw/zinc/39/82/28/525398228.db2.gz	WLLZUXNYULGLFI-UHFFFAOYSA-N	1	0	352.410	1.860	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)CC[C@@H]21	ZINC000154041370	525402877	/nfs/dbraw/zinc/40/28/77/525402877.db2.gz	AKEQDQZRWHDGSU-YJBOKZPZSA-N	1	0	364.453	1.882	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cnn(-c3ccccc3F)c2)CC1	ZINC000178253457	525402855	/nfs/dbraw/zinc/40/28/55/525402855.db2.gz	HQJJULIRXPBGLD-UHFFFAOYSA-N	1	0	371.416	1.717	20	30		FDEDRO
C[NH+](C)CCNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000118094153	525433389	/nfs/dbraw/zinc/43/33/89/525433389.db2.gz	LXLDIGMEBWPJHY-UHFFFAOYSA-N	1	0	358.320	1.116	20	30		FDEDRO
CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)Cn1cnc(C#N)n1	ZINC000178500904	525439706	/nfs/dbraw/zinc/43/97/06/525439706.db2.gz	DTEKLGJVFFUDLZ-UHFFFAOYSA-N	1	0	366.429	1.480	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](CC)c2cccc(S(N)(=O)=O)c2)CC1	ZINC000104904861	525448956	/nfs/dbraw/zinc/44/89/56/525448956.db2.gz	CWUHWWGHERBESF-QGZVFWFLSA-N	1	0	363.483	1.247	20	30		FDEDRO
CCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000118114096	525456181	/nfs/dbraw/zinc/45/61/81/525456181.db2.gz	ZUGHUVGGWUYZSY-UHFFFAOYSA-N	1	0	368.384	1.946	20	30		FDEDRO
C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1	ZINC000105325431	525497789	/nfs/dbraw/zinc/49/77/89/525497789.db2.gz	QPTIQCOXPBNDSD-INIZCTEOSA-N	1	0	363.483	1.930	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)c2cccc(C#N)c2)CC1=O	ZINC000105328722	525501372	/nfs/dbraw/zinc/50/13/72/525501372.db2.gz	KTRXHMOQCHUNSO-SJLPKXTDSA-N	1	0	354.454	1.854	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1	ZINC000178905635	525503069	/nfs/dbraw/zinc/50/30/69/525503069.db2.gz	PEBHGFLXCLFUDB-SJLPKXTDSA-N	1	0	372.469	1.000	20	30		FDEDRO
C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1	ZINC000128305718	525523908	/nfs/dbraw/zinc/52/39/08/525523908.db2.gz	MVWJSUNKZWELHT-QGZVFWFLSA-N	1	0	362.433	1.488	20	30		FDEDRO
CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000154431391	525530710	/nfs/dbraw/zinc/53/07/10/525530710.db2.gz	YMRIATLUHHBRGE-OAHLLOKOSA-N	1	0	374.489	1.781	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1	ZINC000179171830	525541529	/nfs/dbraw/zinc/54/15/29/525541529.db2.gz	IALVQGKSPUINPF-GOSISDBHSA-N	1	0	370.497	1.985	20	30		FDEDRO
C[NH+]=C(NCCNS(C)(=O)=O)N[C@H]1CC(C)(C)Oc2ccccc21	ZINC000179233138	525548079	/nfs/dbraw/zinc/54/80/79/525548079.db2.gz	RWKREKCJUQDAQG-ZDUSSCGKSA-N	1	0	354.476	1.003	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)CC1	ZINC000118835173	525557266	/nfs/dbraw/zinc/55/72/66/525557266.db2.gz	OOJFSPVFOYMCBY-DOTOQJQBSA-N	1	0	373.501	1.807	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)CN1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1	ZINC000154545729	525567735	/nfs/dbraw/zinc/56/77/35/525567735.db2.gz	FZFDTOYDNCQPDD-QYZOEREBSA-N	1	0	363.550	1.485	20	30		FDEDRO
CC[C@H]1CN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1CCOC	ZINC000106114655	525605514	/nfs/dbraw/zinc/60/55/14/525605514.db2.gz	OSXMCRRDZSHAIY-PKOBYXMFSA-N	1	0	356.470	1.706	20	30		FDEDRO
N#CCCN(C(=O)CN1CC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1	ZINC000129108839	525616759	/nfs/dbraw/zinc/61/67/59/525616759.db2.gz	VAGYWERRDQIWGN-GOSISDBHSA-N	1	0	356.470	1.587	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CC[C@H]([NH+]2CCCC2)C1	ZINC000170739707	525698062	/nfs/dbraw/zinc/69/80/62/525698062.db2.gz	VUEUCJBMCCTAHL-SFHVURJKSA-N	1	0	364.453	1.853	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C	ZINC000155032205	525719735	/nfs/dbraw/zinc/71/97/35/525719735.db2.gz	VNMPVLNNZJBPMX-STQMWFEESA-N	1	0	354.458	1.701	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21	ZINC000119463900	525755308	/nfs/dbraw/zinc/75/53/08/525755308.db2.gz	UUGRFYTYSABQPH-QAPCUYQASA-N	1	0	356.470	1.739	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(CCCNC(=[NH2+])Nc2ccccn2)CC1	ZINC000170907029	525762098	/nfs/dbraw/zinc/76/20/98/525762098.db2.gz	HOFGZSYOKIXFFJ-UHFFFAOYSA-N	1	0	362.478	1.751	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1ccccc1Br	ZINC000170910817	525765670	/nfs/dbraw/zinc/76/56/70/525765670.db2.gz	DXRYDKSNSBNVBD-UHFFFAOYSA-N	1	0	355.280	1.446	20	30		FDEDRO
N#Cc1ccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)nc1	ZINC000180865852	525768897	/nfs/dbraw/zinc/76/88/97/525768897.db2.gz	MTEQNWCEEJVTSR-GOSISDBHSA-N	1	0	350.422	1.840	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1	ZINC000181210186	525819636	/nfs/dbraw/zinc/81/96/36/525819636.db2.gz	WFMBUFSQWSOXPB-UHFFFAOYSA-N	1	0	359.474	1.587	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1	ZINC000119698207	525832535	/nfs/dbraw/zinc/83/25/35/525832535.db2.gz	YGGYEDFSEDCEQO-UHFFFAOYSA-N	1	0	355.435	1.165	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1	ZINC000119718774	525839221	/nfs/dbraw/zinc/83/92/21/525839221.db2.gz	WUTJFBXFFCNNGQ-UHFFFAOYSA-N	1	0	371.890	1.679	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CC1	ZINC000155392362	525850616	/nfs/dbraw/zinc/85/06/16/525850616.db2.gz	BFSWDHAZTNAOQW-UHFFFAOYSA-N	1	0	369.465	1.813	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)CC1	ZINC000181447164	525853890	/nfs/dbraw/zinc/85/38/90/525853890.db2.gz	GEJATDBMAKVLBV-BZSNNMDCSA-N	1	0	350.507	1.162	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](C)N1CC[NH+](C)CC1	ZINC000171132886	525863424	/nfs/dbraw/zinc/86/34/24/525863424.db2.gz	HIMDTUCSPABWDZ-APWZRJJASA-N	1	0	358.486	1.714	20	30		FDEDRO
Cc1ccccc1C(=O)NC1CC[NH+](CCC(=O)N(C)CCC#N)CC1	ZINC000131829289	525907110	/nfs/dbraw/zinc/90/71/10/525907110.db2.gz	ADXHQGCMBCOQSH-UHFFFAOYSA-N	1	0	356.470	1.951	20	30		FDEDRO
Cc1ccc(NC(=O)C2CC[NH+](CCC(=O)N(C)CCC#N)CC2)nc1	ZINC000131839215	525909295	/nfs/dbraw/zinc/90/92/95/525909295.db2.gz	NNMOOKGEGKTKSG-UHFFFAOYSA-N	1	0	357.458	1.803	20	30		FDEDRO
C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CCC(=O)N(C)CCC#N	ZINC000131854396	525910345	/nfs/dbraw/zinc/91/03/45/525910345.db2.gz	HTOMOAAYCIKYDY-CYBMUJFWSA-N	1	0	352.460	1.089	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@@]2(CO)CCc3ccccc32)cc1	ZINC000132222213	525947154	/nfs/dbraw/zinc/94/71/54/525947154.db2.gz	KXCVADWSSSXHAW-WIYYLYMNSA-N	1	0	352.434	1.916	20	30		FDEDRO
C#CCOc1cccc(NC(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)c1	ZINC000108518880	525980091	/nfs/dbraw/zinc/98/00/91/525980091.db2.gz	VFDLNVVPBXZDIR-GOSISDBHSA-N	1	0	356.470	1.942	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000108573078	525991503	/nfs/dbraw/zinc/99/15/03/525991503.db2.gz	UWVHLHOACDHYBR-INIZCTEOSA-N	1	0	356.474	1.563	20	30		FDEDRO
N#CCCCCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1	ZINC000171474205	526009190	/nfs/dbraw/zinc/00/91/90/526009190.db2.gz	DREVJMJKBYCIEX-UHFFFAOYSA-N	1	0	360.483	1.984	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(N3CCCCC3=O)CC2)cc1	ZINC000120443061	526064628	/nfs/dbraw/zinc/06/46/28/526064628.db2.gz	LIHGATOSXSDRST-LJQANCHMSA-N	1	0	371.481	1.969	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)CC1	ZINC000171718180	526091462	/nfs/dbraw/zinc/09/14/62/526091462.db2.gz	FEQYJIKBDMTGKY-UHFFFAOYSA-N	1	0	354.454	1.932	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)CC1	ZINC000171727915	526096055	/nfs/dbraw/zinc/09/60/55/526096055.db2.gz	QEGZNRULRFLZTB-UHFFFAOYSA-N	1	0	370.413	1.864	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CS[C@H](C)C(=O)Nc2cc(C)on2)CC1	ZINC000171726557	526096507	/nfs/dbraw/zinc/09/65/07/526096507.db2.gz	PPIWSRAWTHLRCZ-CYBMUJFWSA-N	1	0	366.487	1.810	20	30		FDEDRO
CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)NCC#N)cc1	ZINC000171731522	526097770	/nfs/dbraw/zinc/09/77/70/526097770.db2.gz	SGEWIOMMBNBNAO-ZDUSSCGKSA-N	1	0	352.460	1.007	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@H](O)COc2ccc(F)cc2)CC1	ZINC000171739133	526103059	/nfs/dbraw/zinc/10/30/59/526103059.db2.gz	UXXYMMNGYBUQRB-INIZCTEOSA-N	1	0	351.422	1.515	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2cccc(OCC(=O)NCC)c2)CC1	ZINC000171740876	526103201	/nfs/dbraw/zinc/10/32/01/526103201.db2.gz	RWRLYJJEPUZNGV-UHFFFAOYSA-N	1	0	360.458	1.973	20	30		FDEDRO
Cc1nc(C(=O)N(C)C2CC[NH+](CCn3cccn3)CC2)ccc1C#N	ZINC000171933999	526184974	/nfs/dbraw/zinc/18/49/74/526184974.db2.gz	JHMIZOUJMFNWIL-UHFFFAOYSA-N	1	0	352.442	1.695	20	30		FDEDRO
C[NH+](C)[C@H]1CCCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000109809586	526191245	/nfs/dbraw/zinc/19/12/45/526191245.db2.gz	UAFFVZWZILBHQG-KRWDZBQOSA-N	1	0	352.442	1.708	20	30		FDEDRO
C[NH+](C)[C@@H]1CCCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000109809583	526192215	/nfs/dbraw/zinc/19/22/15/526192215.db2.gz	UAFFVZWZILBHQG-QGZVFWFLSA-N	1	0	352.442	1.708	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1cn(C)c(=O)cc1C)C(C)C	ZINC000182962490	535895608	/nfs/dbraw/zinc/89/56/08/535895608.db2.gz	UDKCEIYYQYQXDU-QGZVFWFLSA-N	1	0	374.485	1.447	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+][C@H](CC)c1cccc(S(N)(=O)=O)c1	ZINC000183025215	535907132	/nfs/dbraw/zinc/90/71/32/535907132.db2.gz	GLWFYHYSYLROPA-MRXNPFEDSA-N	1	0	353.488	1.799	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(Nc3cc(OCC)ncn3)CC2)CC1	ZINC000184183668	536110632	/nfs/dbraw/zinc/11/06/32/536110632.db2.gz	UEQCYUMZGKNQEC-UHFFFAOYSA-N	1	0	371.485	1.623	20	30		FDEDRO
C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)N1CCN(C)CC1	ZINC000185187254	536201712	/nfs/dbraw/zinc/20/17/12/536201712.db2.gz	PURSGTCPGXMFME-KRWDZBQOSA-N	1	0	357.502	1.084	20	30		FDEDRO
C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000185434489	536208426	/nfs/dbraw/zinc/20/84/26/536208426.db2.gz	MYXAWOOKSGKEMO-UHFFFAOYSA-N	1	0	350.488	1.253	20	30		FDEDRO
C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1ccc(OCC#N)cc1	ZINC000185664123	536214664	/nfs/dbraw/zinc/21/46/64/536214664.db2.gz	UOPZMVVDUOKPLT-INIZCTEOSA-N	1	0	359.474	1.414	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)c1	ZINC000186542347	536236870	/nfs/dbraw/zinc/23/68/70/536236870.db2.gz	YGWOODWODVQRLQ-OAHLLOKOSA-N	1	0	363.483	1.508	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccnn2-c2cccc(F)c2)CC1	ZINC000187191740	536257082	/nfs/dbraw/zinc/25/70/82/536257082.db2.gz	MDJRVMNHYIJTAJ-UHFFFAOYSA-N	1	0	371.416	1.717	20	30		FDEDRO
CN(C)C(=[NH2+])NC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(-c2ccc(F)cc2)c1	ZINC000262792764	536902605	/nfs/dbraw/zinc/90/26/05/536902605.db2.gz	ORVDWMAMPVFYIT-YVEFUNNKSA-N	1	0	358.421	1.407	20	30		FDEDRO
CC[NH+]=C(NCc1ccc2c(c1)OCO2)NC[C@H]1CCc2nnc(C)n2C1	ZINC000262821616	536910704	/nfs/dbraw/zinc/91/07/04/536910704.db2.gz	XGGQXXYXGUTURY-OAHLLOKOSA-N	1	0	370.457	1.633	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)CN2CCC[C@H]2C(=O)Nc2nccs2)cc1	ZINC000246340474	536930333	/nfs/dbraw/zinc/93/03/33/536930333.db2.gz	HRNDAKZHMQHFEB-ZBFHGGJFSA-N	1	0	372.450	1.858	20	30		FDEDRO
C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCO[C@@H](C#N)C1	ZINC000246368352	536938111	/nfs/dbraw/zinc/93/81/11/536938111.db2.gz	NWWHULZTMIXARF-LPHOPBHVSA-N	1	0	356.470	1.380	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1	ZINC000246503418	536968588	/nfs/dbraw/zinc/96/85/88/536968588.db2.gz	QCRPAKOLOAEPRH-QWFCFKBJSA-N	1	0	370.497	1.974	20	30		FDEDRO
COc1cccc(O[C@@H](C)CNC(=[NH2+])N2CCN(c3ncccn3)CC2)c1	ZINC000267391225	536974026	/nfs/dbraw/zinc/97/40/26/536974026.db2.gz	CWLHEUHJCUUIGU-HNNXBMFYSA-N	1	0	370.457	1.389	20	30		FDEDRO
CC[C@H](C)NC(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)=[NH+]C	ZINC000263248155	537001056	/nfs/dbraw/zinc/00/10/56/537001056.db2.gz	NUTRWMXYLWHXQX-LBPRGKRZSA-N	1	0	374.532	1.233	20	30		FDEDRO
C[NH+]=C(NC[C@@H](c1ccc(C)o1)N1CCCC1)N1CCN(C(C)=O)CC1	ZINC000263275415	537007193	/nfs/dbraw/zinc/00/71/93/537007193.db2.gz	YFRFJTRZOOHSAF-KRWDZBQOSA-N	1	0	361.490	1.464	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@](C)(C(=O)OCC)c2ccccc2)CC1	ZINC000189170039	537007516	/nfs/dbraw/zinc/00/75/16/537007516.db2.gz	JPOANMQOHJVHCA-NRFANRHFSA-N	1	0	356.466	1.969	20	30		FDEDRO
N#Cc1ccc(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1O	ZINC000189198926	537010807	/nfs/dbraw/zinc/01/08/07/537010807.db2.gz	MBKRVZDEHQBQJH-GOSISDBHSA-N	1	0	351.406	1.760	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C[NH+](C)C)ccc1F	ZINC000268151679	537011701	/nfs/dbraw/zinc/01/17/01/537011701.db2.gz	OZQGFMMIPXCNHD-CQSZACIVSA-N	1	0	369.462	1.456	20	30		FDEDRO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@@H](N2CCOCC2)C1	ZINC000246839307	537037370	/nfs/dbraw/zinc/03/73/70/537037370.db2.gz	DHOJVEDZYCMKPU-ZIAGYGMSSA-N	1	0	374.510	1.842	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](CN2CCOCC2)C1	ZINC000246947042	537056505	/nfs/dbraw/zinc/05/65/05/537056505.db2.gz	QZODQRHKUBGRCJ-AZUAARDMSA-N	1	0	360.498	1.809	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCc1ccc(C#N)cc1	ZINC000263676671	537061897	/nfs/dbraw/zinc/06/18/97/537061897.db2.gz	JTCDRCZMSBUCPT-KRWDZBQOSA-N	1	0	357.458	1.300	20	30		FDEDRO
C=C(C)COc1cc(C[NH2+]CC2CN(S(C)(=O)=O)C2)ccc1OC	ZINC000189707325	537084033	/nfs/dbraw/zinc/08/40/33/537084033.db2.gz	KMNRQNJZHITKCG-UHFFFAOYSA-N	1	0	354.472	1.631	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)/C=C/c1ccc(C#N)cc1	ZINC000263786538	537099058	/nfs/dbraw/zinc/09/90/58/537099058.db2.gz	ZRHCJCAEMPPKNR-DOJUMQAQSA-N	1	0	354.454	1.630	20	30		FDEDRO
CCO[C@@H]1C[C@](CO)([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1(C)C	ZINC000189992128	537124686	/nfs/dbraw/zinc/12/46/86/537124686.db2.gz	SHPROABOZISYQR-SJLPKXTDSA-N	1	0	366.483	1.488	20	30		FDEDRO
CCOCCC[NH+]=C(NCCOCCOC)NCc1ccc(OC)cc1	ZINC000263964115	537133508	/nfs/dbraw/zinc/13/35/08/537133508.db2.gz	LECBACTYCSBLKQ-UHFFFAOYSA-N	1	0	367.490	1.820	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NC[C@@H](c1ccc(OC)cc1)N1CCOCC1	ZINC000264152111	537138483	/nfs/dbraw/zinc/13/84/83/537138483.db2.gz	ZNOFJTMWXXVCMU-YOEHRIQHSA-N	1	0	350.463	1.008	20	30		FDEDRO
CCN(CC)C(=[NH2+])NCCc1ccc(S(=O)(=O)N(CC)CC)s1	ZINC000264308354	537141369	/nfs/dbraw/zinc/14/13/69/537141369.db2.gz	UIJWYGNGHBAJLZ-UHFFFAOYSA-N	1	0	360.549	1.978	20	30		FDEDRO
C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1	ZINC000190162130	537148200	/nfs/dbraw/zinc/14/82/00/537148200.db2.gz	TXOPUCAKESRVJS-HNNXBMFYSA-N	1	0	357.458	1.528	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1ccc(N2CCC(C)CC2)nc1	ZINC000264970691	537150770	/nfs/dbraw/zinc/15/07/70/537150770.db2.gz	FKBIXSSNUKQCKL-UHFFFAOYSA-N	1	0	374.533	1.315	20	30		FDEDRO
CC[C@@H]1CN([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC[N@@H+]1C[C@H](C)O	ZINC000247873063	537155430	/nfs/dbraw/zinc/15/54/30/537155430.db2.gz	XXICDKXLFYEHAR-YESZJQIVSA-N	1	0	350.507	1.495	20	30		FDEDRO
Cn1cc([C@H]2NC(=N)Nc3nc4cc5c(cc4n32)OCCCO5)cc1C#N	ZINC000190355998	537167230	/nfs/dbraw/zinc/16/72/30/537167230.db2.gz	SMLCQMPCVOJYOR-INIZCTEOSA-N	1	0	363.381	1.504	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1	ZINC000265797812	537173825	/nfs/dbraw/zinc/17/38/25/537173825.db2.gz	MUAFNXGXUMDSMN-UHFFFAOYSA-N	1	0	370.453	1.982	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCO1	ZINC000190840949	537188699	/nfs/dbraw/zinc/18/86/99/537188699.db2.gz	KHWWDWQGAKUSPJ-MSOLQXFVSA-N	1	0	358.442	1.211	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1	ZINC000248565505	537192583	/nfs/dbraw/zinc/19/25/83/537192583.db2.gz	BQUAMAXYILONJZ-ZLKJLUDKSA-N	1	0	370.272	1.679	20	30		FDEDRO
CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCO[C@H](C#N)C1	ZINC000266435740	537202746	/nfs/dbraw/zinc/20/27/46/537202746.db2.gz	LRQXPSUVZVXVMI-MRXNPFEDSA-N	1	0	373.457	1.593	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1	ZINC000192157164	537221417	/nfs/dbraw/zinc/22/14/17/537221417.db2.gz	WHEYXQHWQQBEBB-MAUKXSAKSA-N	1	0	362.861	1.964	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)CN2CC[N@H+](CCO)[C@H](C)C2)c(OC)c1	ZINC000249595593	537239330	/nfs/dbraw/zinc/23/93/30/537239330.db2.gz	WSLDVBUWWVEZHN-SJLPKXTDSA-N	1	0	364.486	1.162	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1nc2c(s1)CCCC2	ZINC000193373928	537246164	/nfs/dbraw/zinc/24/61/64/537246164.db2.gz	JQWIGFXKWLUGAC-UHFFFAOYSA-N	1	0	363.487	1.654	20	30		FDEDRO
C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)[C@@H](C)C1	ZINC000193984398	537257723	/nfs/dbraw/zinc/25/77/23/537257723.db2.gz	MXLNLOPIGRCXNO-NWDGAFQWSA-N	1	0	357.863	1.287	20	30		FDEDRO
C[C@@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)C[NH+]1CCN(C)CC1	ZINC000285767928	537262868	/nfs/dbraw/zinc/26/28/68/537262868.db2.gz	ZWEJALZXBIEUPE-HNNXBMFYSA-N	1	0	360.477	1.975	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)C[N@@H+](C)CCCC)cc1	ZINC000290170919	537276463	/nfs/dbraw/zinc/27/64/63/537276463.db2.gz	XXFJMTIOUMUYIA-OAHLLOKOSA-N	1	0	374.485	1.778	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1	ZINC000298721618	537285923	/nfs/dbraw/zinc/28/59/23/537285923.db2.gz	OKSLOLYQPNWMFT-UHFFFAOYSA-N	1	0	368.481	1.994	20	30		FDEDRO
C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3F)C2)CC1	ZINC000270294745	537307700	/nfs/dbraw/zinc/30/77/00/537307700.db2.gz	ZQJRJOPBNACUPY-OAHLLOKOSA-N	1	0	358.417	1.826	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C	ZINC000276184552	537323586	/nfs/dbraw/zinc/32/35/86/537323586.db2.gz	XUDWXHWCIBAYNS-BBRMVZONSA-N	1	0	361.417	1.575	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](O)c2cc(C)cc(C)c2)CC1	ZINC000282693316	537334575	/nfs/dbraw/zinc/33/45/75/537334575.db2.gz	UJQVLZDRPYKMHJ-QGZVFWFLSA-N	1	0	362.474	1.862	20	30		FDEDRO
N#CCCOCC[N@@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1	ZINC000293110743	537349119	/nfs/dbraw/zinc/34/91/19/537349119.db2.gz	ONTZUGLKMVWNPN-IBGZPJMESA-N	1	0	357.502	1.846	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)NC2CC[NH+](CCCOC)CC2)n1	ZINC000279542675	537349232	/nfs/dbraw/zinc/34/92/32/537349232.db2.gz	RADURCNXCLYGKX-UHFFFAOYSA-N	1	0	361.490	1.549	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)NC3CC[NH+](CC4CC4)CC3)CC2)c1	ZINC000298886694	537356173	/nfs/dbraw/zinc/35/61/73/537356173.db2.gz	NTBWWRFZJIVYJP-UHFFFAOYSA-N	1	0	368.485	1.659	20	30		FDEDRO
C#CCN(CC#C)C(=O)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1	ZINC000276274084	537382695	/nfs/dbraw/zinc/38/26/95/537382695.db2.gz	SQQMWLSMOHUYNE-UHFFFAOYSA-N	1	0	365.477	1.995	20	30		FDEDRO
C=CCn1c(C2CCC2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1	ZINC000283671436	537384520	/nfs/dbraw/zinc/38/45/20/537384520.db2.gz	ZMVMSERNLDVKSW-UHFFFAOYSA-N	1	0	360.506	1.722	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1	ZINC000293197284	537385705	/nfs/dbraw/zinc/38/57/05/537385705.db2.gz	LJDADIMBYPDKPR-IBGZPJMESA-N	1	0	359.401	1.330	20	30		FDEDRO
C[NH+](C)CCOc1cccc(CNC(=O)C(=O)Nc2ccc(C#N)cn2)c1	ZINC000293202848	537389340	/nfs/dbraw/zinc/38/93/40/537389340.db2.gz	ZHVXKMLUZSYZOM-UHFFFAOYSA-N	1	0	367.409	1.149	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)cc1	ZINC000364394044	537392467	/nfs/dbraw/zinc/39/24/67/537392467.db2.gz	JHVQYMLLHQBPGD-HNNXBMFYSA-N	1	0	360.458	1.523	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1	ZINC000283988571	537399126	/nfs/dbraw/zinc/39/91/26/537399126.db2.gz	HVUPJQFHQDZCBJ-IBGZPJMESA-N	1	0	361.511	1.755	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(CC)CCC[NH+](C)C)cc1	ZINC000276294942	537399505	/nfs/dbraw/zinc/39/95/05/537399505.db2.gz	XIOSYGZDFMOOTF-UHFFFAOYSA-N	1	0	353.488	1.565	20	30		FDEDRO
COC(=O)C1CC[NH+](CCCNC(=O)/C=C/c2cccc(C#N)c2)CC1	ZINC000299013377	537407438	/nfs/dbraw/zinc/40/74/38/537407438.db2.gz	OHPRLSGCYHGYLB-VOTSOKGWSA-N	1	0	355.438	1.963	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@]3(CCC[C@H]3[NH3+])C2)cc1	ZINC000365081357	537426423	/nfs/dbraw/zinc/42/64/23/537426423.db2.gz	ATAMHMOKVBHVSG-AEFFLSMTSA-N	1	0	363.483	1.494	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)C(=O)Nc1ccccc1OCC[NH+](CC)CC	ZINC000273384415	537440045	/nfs/dbraw/zinc/44/00/45/537440045.db2.gz	FIKBGVVPYIPMEY-OAHLLOKOSA-N	1	0	363.458	1.399	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc3c2CNC3=O)CC1	ZINC000287865624	537445889	/nfs/dbraw/zinc/44/58/89/537445889.db2.gz	FRHBMWAKCFLPOE-UHFFFAOYSA-N	1	0	356.426	1.025	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000271620395	537466468	/nfs/dbraw/zinc/46/64/68/537466468.db2.gz	IGGKHPJWNZJHBE-FZMZJTMJSA-N	1	0	358.446	1.047	20	30		FDEDRO
CNC(=O)[C@H](NC(=O)C[NH2+][C@H](C)c1ccc(C#N)cc1)c1ccccc1	ZINC000271710870	537478743	/nfs/dbraw/zinc/47/87/43/537478743.db2.gz	VULCFESRCOIWQM-AUUYWEPGSA-N	1	0	350.422	1.812	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1	ZINC000293520816	537498651	/nfs/dbraw/zinc/49/86/51/537498651.db2.gz	YNNQQZDTBZGEJH-GOSISDBHSA-N	1	0	369.469	1.003	20	30		FDEDRO
C=C[C@H](CO)NC(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1	ZINC000290982712	537499691	/nfs/dbraw/zinc/49/96/91/537499691.db2.gz	JSHOPBMNBPZDNA-GOSISDBHSA-N	1	0	361.486	1.904	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)Nc1cccc(C(=O)NCC[NH+](CC)CC)c1	ZINC000276447869	537516068	/nfs/dbraw/zinc/51/60/68/537516068.db2.gz	PDWXZRUSJSLMQF-UHFFFAOYSA-N	1	0	374.485	1.731	20	30		FDEDRO
CC[N@H+](CCO)CCNC(=O)CCC(=O)N(CCC#N)c1ccccc1	ZINC000274580843	537528229	/nfs/dbraw/zinc/52/82/29/537528229.db2.gz	SIJLDQIEWBBUCO-UHFFFAOYSA-N	1	0	360.458	1.144	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1=O	ZINC000284816529	537574662	/nfs/dbraw/zinc/57/46/62/537574662.db2.gz	POKVEMAGUHGLEZ-UXHICEINSA-N	1	0	357.498	1.996	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1	ZINC000299441331	537581818	/nfs/dbraw/zinc/58/18/18/537581818.db2.gz	INOVDKXPIFWYFP-UHFFFAOYSA-N	1	0	356.426	1.496	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C[NH3+])CC(C)C)ccc1F	ZINC000236655406	537593156	/nfs/dbraw/zinc/59/31/56/537593156.db2.gz	JIDVBHKBSSEGDM-ZDUSSCGKSA-N	1	0	357.451	1.393	20	30		FDEDRO
CCOC(=O)c1ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc1	ZINC000275933289	537599005	/nfs/dbraw/zinc/59/90/05/537599005.db2.gz	WEUNNPAJWIQPQY-UHFFFAOYSA-N	1	0	374.441	1.496	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(C[NH2+]C)CC2)c1	ZINC000237353061	537624016	/nfs/dbraw/zinc/62/40/16/537624016.db2.gz	HIFJGSSOUODEKI-UHFFFAOYSA-N	1	0	351.472	1.223	20	30		FDEDRO
CCC[N@H+](CC)C[C@@H](C)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1	ZINC000291555598	537629635	/nfs/dbraw/zinc/62/96/35/537629635.db2.gz	NHXOMNBUZUGITJ-CQSZACIVSA-N	1	0	366.487	1.073	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCCN(c3cccnc3)C2=O)C1	ZINC000329504153	537637679	/nfs/dbraw/zinc/63/76/79/537637679.db2.gz	GZPXBEMGFSOHSK-WBVHZDCISA-N	1	0	359.474	1.813	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000291610965	537642378	/nfs/dbraw/zinc/64/23/78/537642378.db2.gz	JMSSGLLECHGXSX-MRXNPFEDSA-N	1	0	361.446	1.084	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CNC(=O)Cc1cccc2ccccc21	ZINC000294015767	537642680	/nfs/dbraw/zinc/64/26/80/537642680.db2.gz	QBPCZKWCUGRYLI-UHFFFAOYSA-N	1	0	351.450	1.570	20	30		FDEDRO
O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCS(=O)(=O)C2(CCCCC2)C1	ZINC000329834393	537642847	/nfs/dbraw/zinc/64/28/47/537642847.db2.gz	UNDCWXPROOYPAG-HZPDHXFCSA-N	1	0	369.531	1.961	20	30		FDEDRO
O=C(CN1CCn2ncnc2C1)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000329913162	537645031	/nfs/dbraw/zinc/64/50/31/537645031.db2.gz	BQLVZYIHESKYGQ-UHFFFAOYSA-N	1	0	362.478	1.085	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@H](C#N)C1	ZINC000285180079	537650517	/nfs/dbraw/zinc/65/05/17/537650517.db2.gz	IDENAWVBLWYOHH-OAHLLOKOSA-N	1	0	355.398	1.919	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCN(CC(F)F)CC1	ZINC000330222268	537651895	/nfs/dbraw/zinc/65/18/95/537651895.db2.gz	MGLBHMQKDFWTQL-CABCVRRESA-N	1	0	360.449	1.161	20	30		FDEDRO
C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C1	ZINC000330421430	537656563	/nfs/dbraw/zinc/65/65/63/537656563.db2.gz	RPRBOGYPWKEHTN-ZMSDIMECSA-N	1	0	350.488	1.890	20	30		FDEDRO
CCS(=O)(=O)N1CCC(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1	ZINC000330420502	537656928	/nfs/dbraw/zinc/65/69/28/537656928.db2.gz	XUWUWSKWIKEYQI-CABCVRRESA-N	1	0	374.551	1.425	20	30		FDEDRO
CCN(C1CCN(C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1)S(C)(=O)=O	ZINC000330661824	537659683	/nfs/dbraw/zinc/65/96/83/537659683.db2.gz	CMRGPCBSUXJSKV-HNNXBMFYSA-N	1	0	374.551	1.378	20	30		FDEDRO
C[NH+](C)CCn1nccc1NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000294192565	537672394	/nfs/dbraw/zinc/67/23/94/537672394.db2.gz	UNZPEDRNRHEABJ-HNNXBMFYSA-N	1	0	370.432	1.920	20	30		FDEDRO
CCc1ccc(C#CC(=O)N2CCCN(CC(=O)N3CCCC3)CC2)cc1	ZINC000294550932	537705026	/nfs/dbraw/zinc/70/50/26/537705026.db2.gz	AVGSHWXSVRLTFE-UHFFFAOYSA-N	1	0	367.493	1.757	20	30		FDEDRO
C#CCO[C@H](C)C(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1	ZINC000294571912	537707184	/nfs/dbraw/zinc/70/71/84/537707184.db2.gz	LRDKQJVSXNOJII-QGZVFWFLSA-N	1	0	374.481	1.831	20	30		FDEDRO
CC(C)(CC#N)CS(=O)(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1	ZINC000295135339	537710572	/nfs/dbraw/zinc/71/05/72/537710572.db2.gz	LOMVFKCBOJADDX-KRWDZBQOSA-N	1	0	365.499	1.612	20	30		FDEDRO
Cn1cc(-c2cc(C[N@@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)on2)cn1	ZINC000292298319	537726215	/nfs/dbraw/zinc/72/62/15/537726215.db2.gz	UREWPRQGUQJISJ-HNNXBMFYSA-N	1	0	350.382	1.995	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CCN(CC(=O)NC(=O)NC3CCCCC3)C2)nc1	ZINC000292307612	537727011	/nfs/dbraw/zinc/72/70/11/537727011.db2.gz	VDHWRUDOJAPGEC-INIZCTEOSA-N	1	0	371.441	1.565	20	30		FDEDRO
CC[C@](C)(C#N)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000285560106	537730220	/nfs/dbraw/zinc/73/02/20/537730220.db2.gz	VHHRAVLTQLLUKZ-YLJYHZDGSA-N	1	0	356.470	1.940	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)CC1	ZINC000285752337	537755655	/nfs/dbraw/zinc/75/56/55/537755655.db2.gz	QCUIFRRXPPAIGQ-UHFFFAOYSA-N	1	0	362.449	1.275	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)CC2)cc1	ZINC000418793746	537768050	/nfs/dbraw/zinc/76/80/50/537768050.db2.gz	QFDDAPPESXQYTO-MOPGFXCFSA-N	1	0	355.486	1.903	20	30		FDEDRO
C=CCC[C@H](O)C[N@H+]1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000375897784	537791603	/nfs/dbraw/zinc/79/16/03/537791603.db2.gz	LOPGFGQZPGSKOZ-SJORKVTESA-N	1	0	353.507	1.941	20	30		FDEDRO
C[NH+]1CCC(N2CC[C@H](NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)C2)CC1	ZINC000376092528	537833455	/nfs/dbraw/zinc/83/34/55/537833455.db2.gz	FSQHKFCPNNJSQJ-OALUTQOASA-N	1	0	365.481	1.525	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N(C)C1CC[NH+](CC(=O)N2CCCC2)CC1)OCC	ZINC000366766447	537850719	/nfs/dbraw/zinc/85/07/19/537850719.db2.gz	IGMTZTSFUCWPBD-SFHVURJKSA-N	1	0	365.518	1.903	20	30		FDEDRO
CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NS(=O)(=O)N(CCC#N)CCOC	ZINC000409485327	537852555	/nfs/dbraw/zinc/85/25/55/537852555.db2.gz	NYGJOVNLEQBYLJ-IRXDYDNUSA-N	1	0	374.551	1.583	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000409517532	537858421	/nfs/dbraw/zinc/85/84/21/537858421.db2.gz	KIMXHKGIAQZUEH-CVEARBPZSA-N	1	0	372.535	1.336	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)NCCC[N@@H+]1CCc2ccccc2C1	ZINC000409577367	537864012	/nfs/dbraw/zinc/86/40/12/537864012.db2.gz	ROEMHMZDUBTULU-MRXNPFEDSA-N	1	0	364.515	1.751	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)NC2CCC(Oc3ccccc3C#N)CC2)CC[NH2+]1	ZINC000419037266	537905488	/nfs/dbraw/zinc/90/54/88/537905488.db2.gz	RIIYAPQDAAJJHE-ODIFPOPNSA-N	1	0	370.453	1.185	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)cc1	ZINC000411970666	537915418	/nfs/dbraw/zinc/91/54/18/537915418.db2.gz	NPPBYPWYJUZTJR-NQIIRXRSSA-N	1	0	365.433	1.427	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1	ZINC000415057958	537956144	/nfs/dbraw/zinc/95/61/44/537956144.db2.gz	QOIOBPWHZNWHDS-QAPCUYQASA-N	1	0	355.442	1.635	20	30		FDEDRO
C#CCCS(=O)(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000377338831	537961398	/nfs/dbraw/zinc/96/13/98/537961398.db2.gz	CACGAEFPMFSQMA-IBGZPJMESA-N	1	0	361.511	1.232	20	30		FDEDRO
C#CCCCS(=O)(=O)NC[C@H]1CSCCN1Cc1ccccc1	ZINC000367878802	537969900	/nfs/dbraw/zinc/96/99/00/537969900.db2.gz	OBSICBYHYRFAHT-KRWDZBQOSA-N	1	0	352.525	1.937	20	30		FDEDRO
CN1CC[NH+]([C@H]2CCCCN(Cc3cnc4ccc(C#N)cn34)C2)CC1	ZINC000377676322	537994670	/nfs/dbraw/zinc/99/46/70/537994670.db2.gz	PXQZRTMBSUNABN-SFHVURJKSA-N	1	0	352.486	1.808	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+](C)[C@H]2CCCCNC2=O)c(OC)c1	ZINC000369032856	537997711	/nfs/dbraw/zinc/99/77/11/537997711.db2.gz	RVEXSQMKPRRPAG-SJORKVTESA-N	1	0	362.470	1.764	20	30		FDEDRO
C[C@@H]1CN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)C[N@@H+]1CCO	ZINC000419332401	538044222	/nfs/dbraw/zinc/04/42/22/538044222.db2.gz	HRNOFYJQZRFKHN-UONOGXRCSA-N	1	0	364.877	1.927	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)CN2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c1C	ZINC000419333300	538044877	/nfs/dbraw/zinc/04/48/77/538044877.db2.gz	UCMBLHBNPGRGEG-ZWKOTPCHSA-N	1	0	372.513	1.937	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N[C@@H](CC[NH3+])C(F)F)n2)c(Cl)c1	ZINC000415463392	538061437	/nfs/dbraw/zinc/06/14/37/538061437.db2.gz	QLPUEDQUMVKNMD-NSHDSACASA-N	1	0	368.775	2.501	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)C1=O	ZINC000411493832	538072711	/nfs/dbraw/zinc/07/27/11/538072711.db2.gz	RYPNNCXVUQMODQ-QGZVFWFLSA-N	1	0	372.469	1.240	20	30		FDEDRO
C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000415569124	538078770	/nfs/dbraw/zinc/07/87/70/538078770.db2.gz	RGOJBGRRLOSIED-VHSXEESVSA-N	1	0	354.332	1.724	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C	ZINC000415681434	538081862	/nfs/dbraw/zinc/08/18/62/538081862.db2.gz	WKYRYUPHLLKTRP-INIZCTEOSA-N	1	0	358.442	1.790	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1	ZINC000419877570	538127584	/nfs/dbraw/zinc/12/75/84/538127584.db2.gz	FSZXMKOVHHIFQO-ZBFHGGJFSA-N	1	0	374.441	1.614	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)c1	ZINC000422021943	538133770	/nfs/dbraw/zinc/13/37/70/538133770.db2.gz	NPJWLPVWGLTDBP-OAHLLOKOSA-N	1	0	351.472	1.317	20	30		FDEDRO
C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)C[C@@H]1C[NH3+]	ZINC000423712990	538145483	/nfs/dbraw/zinc/14/54/83/538145483.db2.gz	UYGTYWWPHWAFRB-OWLYRPNTSA-N	1	0	354.454	1.195	20	30		FDEDRO
C=C(C)CN(C)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1	ZINC000420100943	538219535	/nfs/dbraw/zinc/21/95/35/538219535.db2.gz	NJHREFDTBJCNQU-CJNGLKHVSA-N	1	0	351.397	1.561	20	30		FDEDRO
N#CCCn1cc(C[NH2+]CC(=O)NCc2ccco2)c(-c2ccncc2)n1	ZINC000433326253	538224678	/nfs/dbraw/zinc/22/46/78/538224678.db2.gz	KGMWEMWFVMGKMZ-UHFFFAOYSA-N	1	0	364.409	1.858	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1	ZINC000424092473	538233512	/nfs/dbraw/zinc/23/35/12/538233512.db2.gz	GYQQGUHOGCXSMJ-INIZCTEOSA-N	1	0	361.421	1.959	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)C(=O)NCC(C)(C)CC#N)Cc2ccccc2C1	ZINC000422349115	538234151	/nfs/dbraw/zinc/23/41/51/538234151.db2.gz	GXWOLZGUVGGEHR-UHFFFAOYSA-N	1	0	356.470	1.258	20	30		FDEDRO
Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1	ZINC000424123242	538241352	/nfs/dbraw/zinc/24/13/52/538241352.db2.gz	KPBFHOQTEBBQSP-SJORKVTESA-N	1	0	372.469	1.454	20	30		FDEDRO
C=CCC1(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCOCC1	ZINC000424151872	538247126	/nfs/dbraw/zinc/24/71/26/538247126.db2.gz	INTCIYGOFKBSCK-SJORKVTESA-N	1	0	363.502	1.466	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1	ZINC000424192935	538251605	/nfs/dbraw/zinc/25/16/05/538251605.db2.gz	QEEOEQPLIQVQNT-MRXNPFEDSA-N	1	0	374.876	1.653	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1	ZINC000420182874	538252103	/nfs/dbraw/zinc/25/21/03/538252103.db2.gz	FXDSSGGFRNSIAW-LBPRGKRZSA-N	1	0	371.890	1.411	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@H](c2cccnc2)C2CC2)CC1	ZINC000445805606	538255651	/nfs/dbraw/zinc/25/56/51/538255651.db2.gz	MHUJEMLHZKEIPC-QUCCMNQESA-N	1	0	355.486	1.815	20	30		FDEDRO
C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1cccc(Br)c1C#N	ZINC000420428793	538294099	/nfs/dbraw/zinc/29/40/99/538294099.db2.gz	LMQNUKPSGZGRMH-CABZTGNLSA-N	1	0	358.261	1.597	20	30		FDEDRO
N#Cc1ccccc1S(=O)(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000443241929	538393542	/nfs/dbraw/zinc/39/35/42/538393542.db2.gz	MHHADAONBOBQIN-IBGZPJMESA-N	1	0	371.462	1.474	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)cc2C1=O	ZINC000449724917	538427244	/nfs/dbraw/zinc/42/72/44/538427244.db2.gz	UTUZVKPPTUTVAY-GFCCVEGCSA-N	1	0	355.316	1.478	20	30		FDEDRO
Cc1cc(C(=O)N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)ncc1C#N	ZINC000457544235	538499402	/nfs/dbraw/zinc/49/94/02/538499402.db2.gz	PGWIDPMAYDAOLO-GOSISDBHSA-N	1	0	371.485	1.129	20	30		FDEDRO
C[NH+](C)CCOCCNC(=O)N1CCCN(c2ccccc2C#N)CC1	ZINC000471646311	538530119	/nfs/dbraw/zinc/53/01/19/538530119.db2.gz	UWXJIHKAIHDZHS-UHFFFAOYSA-N	1	0	359.474	1.358	20	30		FDEDRO
C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NCCc2cccc(C#N)c2)CC1	ZINC000466826363	538571844	/nfs/dbraw/zinc/57/18/44/538571844.db2.gz	OOANFEOGYLIYMG-MRXNPFEDSA-N	1	0	358.486	1.835	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1	ZINC000487088137	538602096	/nfs/dbraw/zinc/60/20/96/538602096.db2.gz	TVUFFOXIWRKSNU-HZPDHXFCSA-N	1	0	365.499	1.754	20	30		FDEDRO
C[C@H](C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)n1cnc(C#N)n1	ZINC000467076360	538602974	/nfs/dbraw/zinc/60/29/74/538602974.db2.gz	UQNGDVAYVHUIER-MRXNPFEDSA-N	1	0	367.457	1.039	20	30		FDEDRO
C=C(CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1)c1ccccc1	ZINC000458770637	538642619	/nfs/dbraw/zinc/64/26/19/538642619.db2.gz	XXKSTXMTEUMXMV-UHFFFAOYSA-N	1	0	358.486	1.991	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1	ZINC000497671609	538779276	/nfs/dbraw/zinc/77/92/76/538779276.db2.gz	KIWPBLVRHFSYSD-INIZCTEOSA-N	1	0	362.474	1.607	20	30		FDEDRO
N#Cc1ccc(CN2CCCN(C(=O)C3CN(CC(F)F)C3)CC2)cc1	ZINC000469442422	538796102	/nfs/dbraw/zinc/79/61/02/538796102.db2.gz	ITTSGUVHMACTHZ-UHFFFAOYSA-N	1	0	362.424	1.789	20	30		FDEDRO
C[C@H]1CN(C(=O)NCC#Cc2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000485374012	538839220	/nfs/dbraw/zinc/83/92/20/538839220.db2.gz	DVXFWHDGSLDPFL-AZUAARDMSA-N	1	0	354.498	1.706	20	30		FDEDRO
CC(C)CN1CCO[C@H](C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000560932697	545633597	/nfs/dbraw/zinc/63/35/97/545633597.db2.gz	LLPLMYPOXIXDPY-UYAOXDASSA-N	1	0	361.486	1.439	20	30		FDEDRO
N#Cc1c(F)cccc1N1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1	ZINC000561211541	545747653	/nfs/dbraw/zinc/74/76/53/545747653.db2.gz	FWJLWARPVFYUBV-HNNXBMFYSA-N	1	0	359.449	1.919	20	30		FDEDRO
N#Cc1cnn2c1NC[C@@H](C[NH2+]CCc1cc(F)cc3c1OCOC3)C2	ZINC000561219718	545753840	/nfs/dbraw/zinc/75/38/40/545753840.db2.gz	HHQNRWGKQBFETJ-GFCCVEGCSA-N	1	0	357.389	1.634	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@H](OCC)C23CCCC3)CC1	ZINC000561414805	545838854	/nfs/dbraw/zinc/83/88/54/545838854.db2.gz	ODMYPUPKYQNTRB-SJORKVTESA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(Cc2cccnc2)C(C)C)CC1	ZINC000561450563	545856669	/nfs/dbraw/zinc/85/66/69/545856669.db2.gz	PKDYPJAHFSXDJI-UHFFFAOYSA-N	1	0	358.486	1.975	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CCOC)[C@@H]2CC[C@@H](C)C2)CC1	ZINC000561452317	545858043	/nfs/dbraw/zinc/85/80/43/545858043.db2.gz	FUHNIWHHCYUHEX-SJLPKXTDSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000561678325	545924791	/nfs/dbraw/zinc/92/47/91/545924791.db2.gz	LKENXEUZDIWPBS-JKSUJKDBSA-N	1	0	351.491	1.465	20	30		FDEDRO
N#Cc1ccc(N2C[C@H](C(=O)NCC[N@H+]3CC=CCC3)CC2=O)cc1Cl	ZINC000562547198	546175981	/nfs/dbraw/zinc/17/59/81/546175981.db2.gz	DTHDOSDALANTSW-OAHLLOKOSA-N	1	0	372.856	1.943	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCC(=O)N[C@H]1[C@H]1CCCO1	ZINC000563013035	546354656	/nfs/dbraw/zinc/35/46/56/546354656.db2.gz	ZIASNCHUCYKKDX-VGUOSERISA-N	1	0	374.481	1.571	20	30		FDEDRO
Cc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(C#N)n2)[NH+](C)C)cc1	ZINC000563096605	546402090	/nfs/dbraw/zinc/40/20/90/546402090.db2.gz	SEUDBWQMTJVULK-INIZCTEOSA-N	1	0	351.410	1.619	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@H](CO)c2ccc(F)cc2)cc1	ZINC000563137501	546419767	/nfs/dbraw/zinc/41/97/67/546419767.db2.gz	GEOSRTXJZRDWGV-IEBWSBKVSA-N	1	0	358.413	1.997	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cc1	ZINC000563155598	546429606	/nfs/dbraw/zinc/42/96/06/546429606.db2.gz	YCPCMGINYSPEIP-KRWDZBQOSA-N	1	0	370.453	1.308	20	30		FDEDRO
C[NH2+]CCCC(=O)N1CCC(NC(=O)N(C)Cc2cccc(C#N)c2)CC1	ZINC000563451618	546543273	/nfs/dbraw/zinc/54/32/73/546543273.db2.gz	NWKGPUCLHZRIDT-UHFFFAOYSA-N	1	0	371.485	1.690	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C	ZINC000564095054	546805628	/nfs/dbraw/zinc/80/56/28/546805628.db2.gz	OKJJFLOAYSDHBF-DOTOQJQBSA-N	1	0	350.488	1.719	20	30		FDEDRO
C=CCn1c(CC(C)C)nnc1N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1	ZINC000564292584	546869750	/nfs/dbraw/zinc/86/97/50/546869750.db2.gz	KHYNNJQNTSBBMK-MRXNPFEDSA-N	1	0	360.506	1.453	20	30		FDEDRO
Cn1nccc1[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CCO1	ZINC000564563213	546953924	/nfs/dbraw/zinc/95/39/24/546953924.db2.gz	KRHHUTGGMHIKQD-YJBOKZPZSA-N	1	0	374.466	1.575	20	30		FDEDRO
COc1cc(CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)ccc1C#N	ZINC000564595824	546967916	/nfs/dbraw/zinc/96/79/16/546967916.db2.gz	CXPQQDYFEPCPHA-QGZVFWFLSA-N	1	0	372.469	1.821	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCCN(c3ccccc3)C2)nc1	ZINC000564857684	547071025	/nfs/dbraw/zinc/07/10/25/547071025.db2.gz	WWVLOQYNCXEIFM-KRWDZBQOSA-N	1	0	370.478	1.986	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1	ZINC000564914405	547098149	/nfs/dbraw/zinc/09/81/49/547098149.db2.gz	RMXVJBMLCFHPLM-OAHLLOKOSA-N	1	0	370.413	1.767	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)CC1	ZINC000565398503	547332989	/nfs/dbraw/zinc/33/29/89/547332989.db2.gz	KKZCFXGSIQKAIU-KRWDZBQOSA-N	1	0	363.506	1.424	20	30		FDEDRO
CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2OC)C1	ZINC000565573934	547401612	/nfs/dbraw/zinc/40/16/12/547401612.db2.gz	XFRMFKFRHGUEQM-HNNXBMFYSA-N	1	0	358.442	1.696	20	30		FDEDRO
C[NH+](C)CC1(CNC(=O)C(=O)NCc2ccc(CC#N)cc2)CCCC1	ZINC000565832938	547500383	/nfs/dbraw/zinc/50/03/83/547500383.db2.gz	YACDKNWBVGYEBK-UHFFFAOYSA-N	1	0	356.470	1.607	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1	ZINC000565904302	547528072	/nfs/dbraw/zinc/52/80/72/547528072.db2.gz	CXPUPBMVSCKZAJ-GOSISDBHSA-N	1	0	359.470	1.601	20	30		FDEDRO
C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000566194123	547651875	/nfs/dbraw/zinc/65/18/75/547651875.db2.gz	ZYXKDYCERKQBFI-ZIAGYGMSSA-N	1	0	369.473	1.684	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)cc1	ZINC000566232509	547672977	/nfs/dbraw/zinc/67/29/77/547672977.db2.gz	QLPUWSZKBMJUIX-GGPKGHCWSA-N	1	0	374.481	1.650	20	30		FDEDRO
COC[C@@]1(C[NH2+]Cc2cnc3c(C#N)cnn3c2)OCCc2ccccc21	ZINC000566241857	547679466	/nfs/dbraw/zinc/67/94/66/547679466.db2.gz	BRWSBIMJDUYDOB-HXUWFJFHSA-N	1	0	363.421	1.805	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)c2cn(CCCC[NH3+])nn2)cc1	ZINC000567107468	547997487	/nfs/dbraw/zinc/99/74/87/547997487.db2.gz	BDXRVANPJRVLHF-UHFFFAOYSA-N	1	0	357.418	1.577	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N([C@H](CN2CCOCC2)c2ccccc2)C1=O	ZINC000567131969	548006057	/nfs/dbraw/zinc/00/60/57/548006057.db2.gz	CZCRNDBNPCYIJN-DLBZAZTESA-N	1	0	359.426	1.183	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N([C@@H](CN2CCOCC2)c2ccccc2)C1=O	ZINC000567131971	548006223	/nfs/dbraw/zinc/00/62/23/548006223.db2.gz	CZCRNDBNPCYIJN-IRXDYDNUSA-N	1	0	359.426	1.183	20	30		FDEDRO
COC(=O)c1ccc(CC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cc1	ZINC000567679840	548208703	/nfs/dbraw/zinc/20/87/03/548208703.db2.gz	GXWKYUJWLDCSQE-UHFFFAOYSA-N	1	0	372.446	1.951	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]CCCc2nnc3ccccn32)cc1	ZINC000567682538	548211203	/nfs/dbraw/zinc/21/12/03/548211203.db2.gz	VADGUZMHYKNEPZ-QGZVFWFLSA-N	1	0	365.437	1.757	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CCNC2CC[NH+](C3CCCC3)CC2)nc1	ZINC000567684095	548211385	/nfs/dbraw/zinc/21/13/85/548211385.db2.gz	BJHANHLYXNMBTO-UHFFFAOYSA-N	1	0	362.499	1.724	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CCC([NH2+]CCOC)CC3)cc2C1=O	ZINC000567745752	548240063	/nfs/dbraw/zinc/24/00/63/548240063.db2.gz	YMSUPXFWGPDSBS-UHFFFAOYSA-N	1	0	371.437	1.309	20	30		FDEDRO
Cc1ccc(C[C@@H](CO)[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cc1	ZINC000567873082	548301676	/nfs/dbraw/zinc/30/16/76/548301676.db2.gz	MTCBKUKHGLMPNR-SFHVURJKSA-N	1	0	358.463	1.834	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)ncc1C#N	ZINC000568650241	548625945	/nfs/dbraw/zinc/62/59/45/548625945.db2.gz	NSLVQOMGJWRZBE-DJJJIMSYSA-N	1	0	357.458	1.827	20	30		FDEDRO
C=CCn1c(C(=O)NC(C)C)nnc1N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1	ZINC000568834598	548695529	/nfs/dbraw/zinc/69/55/29/548695529.db2.gz	MIFLWSIHFMLZCG-BZUAXINKSA-N	1	0	360.506	1.769	20	30		FDEDRO
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)n1	ZINC000569331093	548876452	/nfs/dbraw/zinc/87/64/52/548876452.db2.gz	YYEFDTXGVWKLNY-JSGCOSHPSA-N	1	0	370.844	2.471	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1	ZINC000569570682	548964007	/nfs/dbraw/zinc/96/40/07/548964007.db2.gz	DLLJPZPIXFNGHT-LJQANCHMSA-N	1	0	358.486	1.609	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1	ZINC000569575569	548966236	/nfs/dbraw/zinc/96/62/36/548966236.db2.gz	OQZIMHHCHYJTSO-CABCVRRESA-N	1	0	372.469	1.681	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000569714547	549023399	/nfs/dbraw/zinc/02/33/99/549023399.db2.gz	ZJXOEOHBAFLWPE-LJQANCHMSA-N	1	0	370.497	1.292	20	30		FDEDRO
COCC[NH2+]C1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1	ZINC000569733366	549031804	/nfs/dbraw/zinc/03/18/04/549031804.db2.gz	USUVECMWGKXNMS-UHFFFAOYSA-N	1	0	357.863	1.601	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCOc2ncccc2Cl)nc1	ZINC000569836893	549066471	/nfs/dbraw/zinc/06/64/71/549066471.db2.gz	BVYSDBDVDGZWPF-UHFFFAOYSA-N	1	0	366.830	1.444	20	30		FDEDRO
C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)N(C)Cc1ccccc1	ZINC000570037576	549137215	/nfs/dbraw/zinc/13/72/15/549137215.db2.gz	BVYSPIBGVPRYBX-INIZCTEOSA-N	1	0	372.494	1.837	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1	ZINC000570042447	549138431	/nfs/dbraw/zinc/13/84/31/549138431.db2.gz	VSAUOBVDEHYCDO-UHFFFAOYSA-N	1	0	368.481	1.846	20	30		FDEDRO
CS(=O)(=O)Cc1ccc(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)cc1	ZINC000570144643	549173496	/nfs/dbraw/zinc/17/34/96/549173496.db2.gz	MROJRXBBAMJKNS-GOSISDBHSA-N	1	0	374.462	1.632	20	30		FDEDRO
N#Cc1csc(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1	ZINC000570370399	549254567	/nfs/dbraw/zinc/25/45/67/549254567.db2.gz	QMVYKACAGZFIFI-UHFFFAOYSA-N	1	0	361.515	1.829	20	30		FDEDRO
COCCOC[C@H](O)C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000570676226	549369794	/nfs/dbraw/zinc/36/97/94/549369794.db2.gz	LICMBMLHSYRGSY-JKSUJKDBSA-N	1	0	351.422	1.280	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@](C)(OC)C2(C)C)CC1	ZINC000570953286	549473319	/nfs/dbraw/zinc/47/33/19/549473319.db2.gz	YQWPWMAIOBVCNS-BEFAXECRSA-N	1	0	351.491	1.463	20	30		FDEDRO
Cn1cc(N2CCC[C@@H]([NH2+]C[C@@H](O)COc3ccc(C#N)cc3)C2)cn1	ZINC000571158806	549546849	/nfs/dbraw/zinc/54/68/49/549546849.db2.gz	XLAYDNUCHBSFEC-SJLPKXTDSA-N	1	0	355.442	1.290	20	30		FDEDRO
C=CCn1c(CCC(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000571449986	549649771	/nfs/dbraw/zinc/64/97/71/549649771.db2.gz	JKYJFXFZXRGIBY-QGZVFWFLSA-N	1	0	374.533	1.796	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@H]2COc3ccccc32)CC1	ZINC000571888104	549792525	/nfs/dbraw/zinc/79/25/25/549792525.db2.gz	HZQHVRPWBJIZTP-CRAIPNDOSA-N	1	0	371.481	1.824	20	30		FDEDRO
N#Cc1ccc(NC(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1F	ZINC000572376117	549901073	/nfs/dbraw/zinc/90/10/73/549901073.db2.gz	UELKWJGFOZWHEM-SUMWQHHRSA-N	1	0	373.432	1.809	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc2C1=O	ZINC000572958873	550032144	/nfs/dbraw/zinc/03/21/44/550032144.db2.gz	PTBJBLSTRPCRGH-HOTGVXAUSA-N	1	0	367.449	1.930	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCCCCC[NH+]2CCCCC2)ncc1C#N	ZINC000573017768	550046236	/nfs/dbraw/zinc/04/62/36/550046236.db2.gz	PQIZAYNVBMIPME-UHFFFAOYSA-N	1	0	357.458	1.973	20	30		FDEDRO
N#Cc1cccc(OCCC[N@H+]2CCC[C@](O)(C(=O)N3CCCC3)C2)c1	ZINC000573113342	550067509	/nfs/dbraw/zinc/06/75/09/550067509.db2.gz	BGEGVFKSKNZUOT-HXUWFJFHSA-N	1	0	357.454	1.776	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)cc1	ZINC000573206977	550087232	/nfs/dbraw/zinc/08/72/32/550087232.db2.gz	XIWRUZJCPFFSDB-RTBURBONSA-N	1	0	368.481	1.750	20	30		FDEDRO
CC(C)[NH+]1CCN(c2cccc(NC[C@H](O)CN(C)CCC#N)c2)CC1	ZINC000573480345	550147922	/nfs/dbraw/zinc/14/79/22/550147922.db2.gz	LUYSTGJWWGXRFP-FQEVSTJZSA-N	1	0	359.518	1.835	20	30		FDEDRO
C[C@H](NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCC[NH2+]C1	ZINC000573549009	550162025	/nfs/dbraw/zinc/16/20/25/550162025.db2.gz	UQSJHDBPXSGKPO-QGTPRVQTSA-N	1	0	369.469	1.346	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H]2COc3ccccc3O2)c1C#N	ZINC000573671921	550188595	/nfs/dbraw/zinc/18/85/95/550188595.db2.gz	PZOIALFSBLYVKH-GFCCVEGCSA-N	1	0	355.398	1.602	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1	ZINC000573801472	550213659	/nfs/dbraw/zinc/21/36/59/550213659.db2.gz	BSFOMOSCOQBNTD-TXEJJXNPSA-N	1	0	350.400	1.087	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]Cc2ccccc2Cn2cncn2)cc1	ZINC000573834178	550219366	/nfs/dbraw/zinc/21/93/66/550219366.db2.gz	OPYJYIBNTLSGFJ-LJQANCHMSA-N	1	0	363.421	1.728	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH2+]CC1CN(S(=O)(=O)CC)C1	ZINC000574750806	550364233	/nfs/dbraw/zinc/36/42/33/550364233.db2.gz	FPGMYYHWTATMOF-QGZVFWFLSA-N	1	0	368.499	1.026	20	30		FDEDRO
N#Cc1csc(CN2C(=O)N[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2=O)n1	ZINC000574784141	550370236	/nfs/dbraw/zinc/37/02/36/550370236.db2.gz	WYZWSHKLPAMZNM-GOSISDBHSA-N	1	0	367.434	1.711	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H]([NH2+]C[C@H](O)Cc3ccc(F)cc3)C2=O)cc1	ZINC000574870912	550384211	/nfs/dbraw/zinc/38/42/11/550384211.db2.gz	ZSTJFWGRXOVHFH-UXHICEINSA-N	1	0	367.424	1.991	20	30		FDEDRO
C=CCCCNC(=O)C(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000575494914	550464877	/nfs/dbraw/zinc/46/48/77/550464877.db2.gz	CQGYHZSNSXFVJZ-IRXDYDNUSA-N	1	0	365.518	1.807	20	30		FDEDRO
N#Cc1ccc(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1F	ZINC000575624391	550467301	/nfs/dbraw/zinc/46/73/01/550467301.db2.gz	DAGLEFQLCINZIL-UHFFFAOYSA-N	1	0	359.405	1.469	20	30		FDEDRO
CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000575741968	550470541	/nfs/dbraw/zinc/47/05/41/550470541.db2.gz	ZIITYYJAKMVRBM-USGALAMMSA-N	1	0	369.512	1.396	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCc2cn3c(n2)CCCC3)cc1	ZINC000575916354	550490335	/nfs/dbraw/zinc/49/03/35/550490335.db2.gz	DJPUAJGCYVHGKN-UHFFFAOYSA-N	1	0	358.467	1.697	20	30		FDEDRO
Cn1cc([C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C(C)(C)C)cn1	ZINC000576069554	550507312	/nfs/dbraw/zinc/50/73/12/550507312.db2.gz	RVLDLVZTMNJRGW-MRXNPFEDSA-N	1	0	361.471	1.837	20	30		FDEDRO
C[C@@]1(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCC(=O)N1	ZINC000576559464	550562259	/nfs/dbraw/zinc/56/22/59/550562259.db2.gz	GBEJMSGMBRFKMX-FQEVSTJZSA-N	1	0	369.469	1.444	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)c(F)c1	ZINC000576688906	550575573	/nfs/dbraw/zinc/57/55/73/550575573.db2.gz	TVAQHMAICCBJSC-IXDOHACOSA-N	1	0	371.460	1.917	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)C(=O)NCC3CC[NH2+]CC3)CC2)cc1	ZINC000577048040	550614587	/nfs/dbraw/zinc/61/45/87/550614587.db2.gz	RRXWSIINZDNGPY-UHFFFAOYSA-N	1	0	370.453	1.044	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)c1cccc(F)c1	ZINC000577128300	550623563	/nfs/dbraw/zinc/62/35/63/550623563.db2.gz	QUVIJOLESXXTSQ-HNNXBMFYSA-N	1	0	355.373	1.450	20	30		FDEDRO
C=C(C)Cn1c(C(C)C)nnc1N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1	ZINC000578114734	550729348	/nfs/dbraw/zinc/72/93/48/550729348.db2.gz	IGZIONJMFQEXMU-INIZCTEOSA-N	1	0	360.506	1.768	20	30		FDEDRO
O=C1CCc2cc(OC[C@H](O)C[NH2+]CC#Cc3ccccc3)ccc2N1	ZINC000578232083	550742546	/nfs/dbraw/zinc/74/25/46/550742546.db2.gz	HCCVQDVCIFQBDK-GOSISDBHSA-N	1	0	350.418	1.952	20	30		FDEDRO
C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccc2c(c1)OCO2	ZINC000578260083	550745934	/nfs/dbraw/zinc/74/59/34/550745934.db2.gz	KPFJIDFCKVWURE-LBPRGKRZSA-N	1	0	359.407	1.806	20	30		FDEDRO
C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)Oc1ccccc1F	ZINC000578998294	550824393	/nfs/dbraw/zinc/82/43/93/550824393.db2.gz	QUTWVDUWAWBYBD-ZDUSSCGKSA-N	1	0	363.414	1.923	20	30		FDEDRO
CC(=O)NCCN(CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(C)s1	ZINC000579136690	550840023	/nfs/dbraw/zinc/84/00/23/550840023.db2.gz	VPDXANWHJAJWTC-SFHVURJKSA-N	1	0	362.499	1.803	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1	ZINC000579650432	550895743	/nfs/dbraw/zinc/89/57/43/550895743.db2.gz	BIRLGJWKCRCVSA-WDSOQIARSA-N	1	0	370.497	1.841	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)n2)c(F)c1	ZINC000579688602	550899508	/nfs/dbraw/zinc/89/95/08/550899508.db2.gz	UJDLTOCCRKOBDH-RBSFLKMASA-N	1	0	368.416	2.393	20	30		FDEDRO
C[NH2+]C[C@H]1CCCN1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000580052885	550937503	/nfs/dbraw/zinc/93/75/03/550937503.db2.gz	CASIPIYTZVWBSQ-SJORKVTESA-N	1	0	355.442	1.053	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCc3nc(C)nn3C2)c(OC)c1	ZINC000580230999	550957498	/nfs/dbraw/zinc/95/74/98/550957498.db2.gz	YPMTXCHQYPSPOC-IAGOWNOFSA-N	1	0	372.469	1.668	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]CCC(=O)N2CCCCCC2)cc1	ZINC000580435403	550982285	/nfs/dbraw/zinc/98/22/85/550982285.db2.gz	YNPNHOHAILSDRU-GOSISDBHSA-N	1	0	359.470	1.875	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1	ZINC000580848950	551025493	/nfs/dbraw/zinc/02/54/93/551025493.db2.gz	SCVFIZXPUNKCCX-GOSISDBHSA-N	1	0	350.422	1.758	20	30		FDEDRO
Cn1ccnc1[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CCO1	ZINC000581067133	551048351	/nfs/dbraw/zinc/04/83/51/551048351.db2.gz	WTSAIJMWMLOGJG-DOTOQJQBSA-N	1	0	374.466	1.575	20	30		FDEDRO
C=CCn1cc(CNC(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)nn1	ZINC000581492917	551095646	/nfs/dbraw/zinc/09/56/46/551095646.db2.gz	XDJQTSVNSNWQIP-LJQANCHMSA-N	1	0	354.458	1.928	20	30		FDEDRO
C[C@@H]1C[C@@H](C)C[NH+](CCCNCCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000581632593	551114509	/nfs/dbraw/zinc/11/45/09/551114509.db2.gz	ZXRVJBUCBXHJME-HZPDHXFCSA-N	1	0	364.515	1.685	20	30		FDEDRO
C[C@@H]([NH3+])C1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000581993018	551160161	/nfs/dbraw/zinc/16/01/61/551160161.db2.gz	WIFNTGZADFUQDJ-RDTXWAMCSA-N	1	0	369.469	1.428	20	30		FDEDRO
C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000582360206	551212840	/nfs/dbraw/zinc/21/28/40/551212840.db2.gz	FDDHHOLTOFEPBC-RKDXNWHRSA-N	1	0	353.220	1.501	20	30		FDEDRO
COc1cc(OC)cc(N2CC[C@@H]([NH2+]C[C@H](O)CN(C)CCC#N)C2)c1	ZINC000582482296	551230025	/nfs/dbraw/zinc/23/00/25/551230025.db2.gz	YZNTVEMZWAAWCQ-WBVHZDCISA-N	1	0	362.474	1.078	20	30		FDEDRO
C=CCn1cc(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)nn1	ZINC000583437125	551351365	/nfs/dbraw/zinc/35/13/65/551351365.db2.gz	QPEIDIWMKFSMLZ-IAGOWNOFSA-N	1	0	362.478	1.031	20	30		FDEDRO
C=CCn1cc(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)nn1	ZINC000583437127	551351469	/nfs/dbraw/zinc/35/14/69/551351469.db2.gz	QPEIDIWMKFSMLZ-SJORKVTESA-N	1	0	362.478	1.031	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1	ZINC000583444583	551352680	/nfs/dbraw/zinc/35/26/80/551352680.db2.gz	FFBKIZQWFOGVLE-QGZVFWFLSA-N	1	0	354.454	1.650	20	30		FDEDRO
Cc1ccccc1[C@@H](OC[C@@H](O)C[NH2+]CC(=O)NCC#N)c1ccccc1	ZINC000583626756	551378710	/nfs/dbraw/zinc/37/87/10/551378710.db2.gz	JBFOPGOATFTLAL-RXVVDRJESA-N	1	0	367.449	1.691	20	30		FDEDRO
Cc1ccccc1[C@H](OC[C@H](O)C[NH2+]CC(=O)NCC#N)c1ccccc1	ZINC000583626757	551378714	/nfs/dbraw/zinc/37/87/14/551378714.db2.gz	JBFOPGOATFTLAL-WIYYLYMNSA-N	1	0	367.449	1.691	20	30		FDEDRO
CC(C)[NH2+]CCCNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000584102966	551447076	/nfs/dbraw/zinc/44/70/76/551447076.db2.gz	GGXATOPDXZOUHJ-QGZVFWFLSA-N	1	0	357.458	1.346	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000584183570	551460625	/nfs/dbraw/zinc/46/06/25/551460625.db2.gz	NOGWUUDNGPDNRY-UHFFFAOYSA-N	1	0	364.534	1.524	20	30		FDEDRO
N#Cc1ccc(N2C(=O)C[C@@H](N3CC[C@H](C(=O)N4CCCC4)C3)C2=O)cc1	ZINC000584369322	551487327	/nfs/dbraw/zinc/48/73/27/551487327.db2.gz	UVRFYRGPDBAVKD-DOTOQJQBSA-N	1	0	366.421	1.134	20	30		FDEDRO
CC(=O)N1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1	ZINC000584507659	551508084	/nfs/dbraw/zinc/50/80/84/551508084.db2.gz	XPLMWZNEHRCLQW-UHFFFAOYSA-N	1	0	352.442	1.913	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c(F)c1	ZINC000586860417	551627324	/nfs/dbraw/zinc/62/73/24/551627324.db2.gz	FIXHQDQWROZZPN-HNNXBMFYSA-N	1	0	358.417	1.258	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cccc(C#N)c1	ZINC000587741696	551635466	/nfs/dbraw/zinc/63/54/66/551635466.db2.gz	XFDFXMCYGLPCTE-KDOFPFPSSA-N	1	0	354.454	1.869	20	30		FDEDRO
CC[N@@H+]1CCN(C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)C[C@@H]1C	ZINC000588293396	551664817	/nfs/dbraw/zinc/66/48/17/551664817.db2.gz	QMIPZCZFPSPXGS-KBPBESRZSA-N	1	0	364.471	1.930	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)C[N@@H+](C)[C@@H]3CCSC3)CC2)c1C#N	ZINC000589652070	551740420	/nfs/dbraw/zinc/74/04/20/551740420.db2.gz	VVJOODJTRWSTGL-CYBMUJFWSA-N	1	0	365.528	1.409	20	30		FDEDRO
C[N@@H+]1CC[C@]2(CCN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)C2)C1	ZINC000589875056	551748817	/nfs/dbraw/zinc/74/88/17/551748817.db2.gz	ORGLWMDESLIXRZ-FQEVSTJZSA-N	1	0	368.485	1.659	20	30		FDEDRO
C[C@@H](NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)C1CC[NH+](C)CC1	ZINC000589886951	551749346	/nfs/dbraw/zinc/74/93/46/551749346.db2.gz	VDMQESVPICVWIJ-RHSMWYFYSA-N	1	0	357.458	1.846	20	30		FDEDRO
C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1	ZINC000589930179	551752521	/nfs/dbraw/zinc/75/25/21/551752521.db2.gz	TYTFYOHBHMCTEW-HZMBPMFUSA-N	1	0	359.373	1.902	20	30		FDEDRO
C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000590005084	551756389	/nfs/dbraw/zinc/75/63/89/551756389.db2.gz	JSIAWNYQCVUYHS-VQTJNVASSA-N	1	0	366.465	1.899	20	30		FDEDRO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2	ZINC000590355300	551775391	/nfs/dbraw/zinc/77/53/91/551775391.db2.gz	PEJCVVCNXWFPOS-PKOBYXMFSA-N	1	0	356.470	1.468	20	30		FDEDRO
CN1CC[NH+](CC2CN(C(=O)c3ccn(-c4cccc(C#N)c4)n3)C2)CC1	ZINC000590400579	551780395	/nfs/dbraw/zinc/78/03/95/551780395.db2.gz	WICYZBVBERBLEL-UHFFFAOYSA-N	1	0	364.453	1.063	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)cc1	ZINC000591054580	551839373	/nfs/dbraw/zinc/83/93/73/551839373.db2.gz	NBTQLMNWNAIEFX-RTBURBONSA-N	1	0	371.481	1.969	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)n1	ZINC000591297517	551857937	/nfs/dbraw/zinc/85/79/37/551857937.db2.gz	YWJRXZPQGOFGIB-IUODEOHRSA-N	1	0	354.389	2.099	20	30		FDEDRO
CC[C@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC[C@@H]1[NH3+]	ZINC000591304381	551859474	/nfs/dbraw/zinc/85/94/74/551859474.db2.gz	WGXWPWFWDYUMFA-RYUDHWBXSA-N	1	0	366.368	1.684	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c1	ZINC000591308468	551860272	/nfs/dbraw/zinc/86/02/72/551860272.db2.gz	VHOHSHMQGZCDGN-HUUCEWRRSA-N	1	0	358.417	1.874	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CCN(C(=O)Nc3cnc4c(c3)C[NH2+]CC4)C2)nc1	ZINC000591310775	551860591	/nfs/dbraw/zinc/86/05/91/551860591.db2.gz	JOZQOHMOVKTWOH-INIZCTEOSA-N	1	0	364.409	1.679	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@@H]3CCCC[NH2+]3)C2=O)cc1	ZINC000591356559	551865611	/nfs/dbraw/zinc/86/56/11/551865611.db2.gz	ULTBJSNWKQVBSA-RDJZCZTQSA-N	1	0	355.442	1.495	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1	ZINC000591360462	551866249	/nfs/dbraw/zinc/86/62/49/551866249.db2.gz	YNYZYFMOBINYMJ-KBPBESRZSA-N	1	0	358.446	1.525	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)C(=O)NC[C@@H]3CCCC[NH2+]3)CC2)cc1	ZINC000591418378	551869186	/nfs/dbraw/zinc/86/91/86/551869186.db2.gz	ABBTVLCUOHUYFO-INIZCTEOSA-N	1	0	370.453	1.186	20	30		FDEDRO
N#Cc1cccc(OC2CCN(C(=O)C(=O)NC[C@@H]3CCCC[NH2+]3)CC2)c1	ZINC000591419192	551869580	/nfs/dbraw/zinc/86/95/80/551869580.db2.gz	QTXUPBUZLYLJGA-INIZCTEOSA-N	1	0	370.453	1.186	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]CCCN2CCCCCC2=O)cc1	ZINC000591723181	551903308	/nfs/dbraw/zinc/90/33/08/551903308.db2.gz	KNMWBZBONBTDNY-GOSISDBHSA-N	1	0	359.470	1.875	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1	ZINC000591728250	551904006	/nfs/dbraw/zinc/90/40/06/551904006.db2.gz	DCCFNWVFHFKWAP-MAUKXSAKSA-N	1	0	350.894	1.962	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1	ZINC000591759693	551906479	/nfs/dbraw/zinc/90/64/79/551906479.db2.gz	UGDPGHPXEVAYPC-IRXDYDNUSA-N	1	0	372.448	1.195	20	30		FDEDRO
CCO[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)[C@@]12CCCO2	ZINC000591760183	551906891	/nfs/dbraw/zinc/90/68/91/551906891.db2.gz	WCBINACYENOZAS-KSZLIROESA-N	1	0	364.467	1.648	20	30		FDEDRO
N#Cc1ncn(CC[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)n1	ZINC000591766519	551907371	/nfs/dbraw/zinc/90/73/71/551907371.db2.gz	CASNEGFOLJMJHY-SNVBAGLBSA-N	1	0	356.213	1.486	20	30		FDEDRO
Cn1ccnc1[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)CCO1	ZINC000591771110	551907566	/nfs/dbraw/zinc/90/75/66/551907566.db2.gz	HBDLAVQQOLQKJH-BQFCYCMXSA-N	1	0	356.426	1.541	20	30		FDEDRO
COCC(C)(C)[NH+]1CCN(C[C@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000591850846	551911510	/nfs/dbraw/zinc/91/15/10/551911510.db2.gz	VQPFPUOCNCIVPW-SFHVURJKSA-N	1	0	361.486	1.535	20	30		FDEDRO
COc1ccccc1[C@@H](CNC(=O)N1CC[C@@](O)(CC#N)C1)[NH+]1CCCC1	ZINC000591896972	551914020	/nfs/dbraw/zinc/91/40/20/551914020.db2.gz	VORUSYTZPUBTGV-XLIONFOSSA-N	1	0	372.469	1.892	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@](O)(CC#N)C1	ZINC000591976340	551922753	/nfs/dbraw/zinc/92/27/53/551922753.db2.gz	RJFOAJYCNUKFEL-KPFFTGBYSA-N	1	0	356.470	1.957	20	30		FDEDRO
N#CC[C@@]1(O)CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1	ZINC000592018759	551927531	/nfs/dbraw/zinc/92/75/31/551927531.db2.gz	XRNDZWUWKNRMBW-UYAOXDASSA-N	1	0	372.469	1.338	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCc3ccc(CC#N)cc3)CC2)C1	ZINC000592040396	551930652	/nfs/dbraw/zinc/93/06/52/551930652.db2.gz	FCCZWWPFLFPFQP-IBGZPJMESA-N	1	0	355.486	1.674	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1CCOC2(CC[NH+](C)CC2)C1	ZINC000592105085	551942664	/nfs/dbraw/zinc/94/26/64/551942664.db2.gz	XXNQBMYPGCYXNO-UHFFFAOYSA-N	1	0	365.455	1.052	20	30		FDEDRO
COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000592209155	551960574	/nfs/dbraw/zinc/96/05/74/551960574.db2.gz	VMYMNCJHKHAOSK-DOTOQJQBSA-N	1	0	354.410	1.315	20	30		FDEDRO
N#CCc1ccc(CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1	ZINC000592216164	551961834	/nfs/dbraw/zinc/96/18/34/551961834.db2.gz	FSMKLXMWWQYPHS-HNNXBMFYSA-N	1	0	369.391	1.388	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)c(C(N)=O)c2)CC1	ZINC000592359269	551984246	/nfs/dbraw/zinc/98/42/46/551984246.db2.gz	YGLCHRBJOFLXQX-UHFFFAOYSA-N	1	0	362.405	1.020	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1Br	ZINC000592376407	551985867	/nfs/dbraw/zinc/98/58/67/551985867.db2.gz	JPQUQQCLJVHMRA-AWEZNQCLSA-N	1	0	370.272	1.695	20	30		FDEDRO
C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](O)Cc1ccccc1	ZINC000592431594	551994468	/nfs/dbraw/zinc/99/44/68/551994468.db2.gz	MOINKZBEOPXIJM-BEFAXECRSA-N	1	0	358.463	1.914	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H](CO)c1ccc(Br)cc1	ZINC000592432518	551994562	/nfs/dbraw/zinc/99/45/62/551994562.db2.gz	OJNBHOPPZNCNKB-CABCVRRESA-N	1	0	356.264	1.278	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)CC1	ZINC000592466700	551998564	/nfs/dbraw/zinc/99/85/64/551998564.db2.gz	NNQZSHZITCSKJL-UHFFFAOYSA-N	1	0	371.441	1.510	20	30		FDEDRO
N#CC1(NC(=O)CN2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)CCC1	ZINC000593068472	552057694	/nfs/dbraw/zinc/05/76/94/552057694.db2.gz	ORVWFUFLNFCTGW-MOPGFXCFSA-N	1	0	368.481	1.524	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(Cn4cnnc4)CC3)C2=O)cc1	ZINC000593077231	552058910	/nfs/dbraw/zinc/05/89/10/552058910.db2.gz	YIDCODQMPDNWFW-GOSISDBHSA-N	1	0	350.426	1.667	20	30		FDEDRO
CN1CCC[C@@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1=O	ZINC000593372222	552097128	/nfs/dbraw/zinc/09/71/28/552097128.db2.gz	YUIKRDVYUUXEHH-GOSISDBHSA-N	1	0	369.469	1.443	20	30		FDEDRO
CCN1C[C@@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1=O	ZINC000593411203	552104833	/nfs/dbraw/zinc/10/48/33/552104833.db2.gz	LNAJGVAIYHIXLB-SFHVURJKSA-N	1	0	369.469	1.443	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@H](O)C3CCC3)CC2)c1	ZINC000593517523	552121616	/nfs/dbraw/zinc/12/16/16/552121616.db2.gz	SKXBGCMUCMSOIR-IBGZPJMESA-N	1	0	356.470	1.983	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)NC[C@H](C)C[NH+]1CCCC1	ZINC000593534561	552125536	/nfs/dbraw/zinc/12/55/36/552125536.db2.gz	LSLJBYZVJWITRB-ZDUSSCGKSA-N	1	0	365.455	1.355	20	30		FDEDRO
N#Cc1sccc1S(=O)(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000593564437	552135739	/nfs/dbraw/zinc/13/57/39/552135739.db2.gz	RFJFNBHMULKVFV-KGLIPLIRSA-N	1	0	369.512	1.666	20	30		FDEDRO
N#CCCn1cc(C[NH2+]CC[C@@]2(O)CCCOC2)c(-c2ccncc2)n1	ZINC000593688351	552174135	/nfs/dbraw/zinc/17/41/35/552174135.db2.gz	OXDMPMLCKQZWCF-IBGZPJMESA-N	1	0	355.442	1.880	20	30		FDEDRO
Cn1ncc([N+](=O)[O-])c1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593885641	552217231	/nfs/dbraw/zinc/21/72/31/552217231.db2.gz	IXZVHKCSSWKFTP-UHFFFAOYSA-N	1	0	368.397	1.594	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CCC[C@@H](C(N)=O)C3)CC2)c1	ZINC000593886537	552217600	/nfs/dbraw/zinc/21/76/00/552217600.db2.gz	QHRDBJNSZRSMQU-MSOLQXFVSA-N	1	0	368.481	1.931	20	30		FDEDRO
COC[C@@H](C)CNC(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593928773	552227842	/nfs/dbraw/zinc/22/78/42/552227842.db2.gz	SPPUSUOQHUARFF-HNNXBMFYSA-N	1	0	372.469	1.038	20	30		FDEDRO
C[C@H](O)C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C1CC1	ZINC000594061857	552244851	/nfs/dbraw/zinc/24/48/51/552244851.db2.gz	CHWBQSQVDHWCDI-KXBFYZLASA-N	1	0	374.460	1.380	20	30		FDEDRO
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1	ZINC000594256306	552271738	/nfs/dbraw/zinc/27/17/38/552271738.db2.gz	QEFHZTGTSPXMQF-CEXWTWQISA-N	1	0	355.486	1.746	20	30		FDEDRO
C[NH+](C)CCn1ccc(C(=O)N2CCN(c3ccccc3C#N)CC2)n1	ZINC000594260597	552272463	/nfs/dbraw/zinc/27/24/63/552272463.db2.gz	IOGBDYJWDWIUPL-UHFFFAOYSA-N	1	0	352.442	1.279	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)Cc3ccc(C#N)cc3)C2)CC1	ZINC000594281166	552276783	/nfs/dbraw/zinc/27/67/83/552276783.db2.gz	CBAGKXMZJSFRGB-XLIONFOSSA-N	1	0	354.498	1.975	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1	ZINC000594293445	552280013	/nfs/dbraw/zinc/28/00/13/552280013.db2.gz	UBMIDQDVORBJLH-PXNSSMCTSA-N	1	0	354.498	1.975	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000594325776	552288380	/nfs/dbraw/zinc/28/83/80/552288380.db2.gz	JVGZTGWKEHORAD-GDBMZVCRSA-N	1	0	356.426	1.638	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1	ZINC000594429046	552308902	/nfs/dbraw/zinc/30/89/02/552308902.db2.gz	PZWUMWWLEXACIN-QGZVFWFLSA-N	1	0	358.442	1.438	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1	ZINC000594438948	552310202	/nfs/dbraw/zinc/31/02/02/552310202.db2.gz	RHGZQTNLBLOHAF-ZWKOTPCHSA-N	1	0	362.449	1.726	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1	ZINC000594472147	552318703	/nfs/dbraw/zinc/31/87/03/552318703.db2.gz	YBHFQPKTNLNXGA-SOUVJXGZSA-N	1	0	351.472	1.643	20	30		FDEDRO
CC(C)(C#N)c1ccc(C[NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1	ZINC000594513257	552327300	/nfs/dbraw/zinc/32/73/00/552327300.db2.gz	LXTQPDKTAPOLQS-IBGZPJMESA-N	1	0	370.497	1.510	20	30		FDEDRO
N#Cc1cccnc1OC1CCC(NC(=O)N[C@H](C[NH3+])C(F)(F)F)CC1	ZINC000594524328	552327687	/nfs/dbraw/zinc/32/76/87/552327687.db2.gz	HZGXMGBEOONATI-WXRRBKDZSA-N	1	0	371.363	1.832	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])C(C)C	ZINC000594771818	552378897	/nfs/dbraw/zinc/37/88/97/552378897.db2.gz	UIYGJAAGVNHUSV-HNNXBMFYSA-N	1	0	368.459	1.967	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1	ZINC000594819609	552398073	/nfs/dbraw/zinc/39/80/73/552398073.db2.gz	LVBOVQQKFPAICB-GOSISDBHSA-N	1	0	371.462	1.603	20	30		FDEDRO
Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1	ZINC000595108969	552453487	/nfs/dbraw/zinc/45/34/87/552453487.db2.gz	ROWVEHVKYDMKGP-SMDDNHRTSA-N	1	0	365.480	1.818	20	30		FDEDRO
Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1	ZINC000595108968	552453514	/nfs/dbraw/zinc/45/35/14/552453514.db2.gz	ROWVEHVKYDMKGP-RISCZKNCSA-N	1	0	365.480	1.818	20	30		FDEDRO
CCN(C(=O)C(=O)N1CC[C@@](C)(C#N)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000595130920	552461665	/nfs/dbraw/zinc/46/16/65/552461665.db2.gz	ZZCGJWWAZADFPG-NQIIRXRSSA-N	1	0	368.481	1.872	20	30		FDEDRO
CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[C@](C)(C#N)C1	ZINC000595158841	552471765	/nfs/dbraw/zinc/47/17/65/552471765.db2.gz	LMCPURRMECLIQF-GHTZIAJQSA-N	1	0	368.481	1.729	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C	ZINC000595168735	552475200	/nfs/dbraw/zinc/47/52/00/552475200.db2.gz	XXCVGAJFVZFVGS-OAHLLOKOSA-N	1	0	369.531	1.124	20	30		FDEDRO
C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@@](C)(C#N)C3)c2)CC1	ZINC000595208339	552490646	/nfs/dbraw/zinc/49/06/46/552490646.db2.gz	RMWUONIMRRAAIL-FQEVSTJZSA-N	1	0	369.469	1.135	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CC[C@@](C)(C#N)C2)ccc1OCC[NH+](C)C	ZINC000595213870	552493263	/nfs/dbraw/zinc/49/32/63/552493263.db2.gz	WVKWDILBETVSOI-IBGZPJMESA-N	1	0	374.441	1.336	20	30		FDEDRO
COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N=c2ccn(CCC#N)[nH]2)cc1	ZINC000595229525	552498448	/nfs/dbraw/zinc/49/84/48/552498448.db2.gz	KUSJYHKXZXFJTQ-IRXDYDNUSA-N	1	0	368.441	2.073	20	30		FDEDRO
C[NH2+]CCCC(=O)N1CCC(NC(=O)Nc2cccc(CC#N)c2)CC1	ZINC000595233151	552500039	/nfs/dbraw/zinc/50/00/39/552500039.db2.gz	VUVJSPTWWKJQQN-UHFFFAOYSA-N	1	0	357.458	1.865	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CCO1	ZINC000595234840	552500683	/nfs/dbraw/zinc/50/06/83/552500683.db2.gz	GNIAONATJUESKQ-OAHLLOKOSA-N	1	0	362.405	1.205	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1	ZINC000595239944	552502354	/nfs/dbraw/zinc/50/23/54/552502354.db2.gz	HTQIGFCOTFYALD-CQSZACIVSA-N	1	0	358.417	1.874	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CCCCC1	ZINC000595278641	552510867	/nfs/dbraw/zinc/51/08/67/552510867.db2.gz	QXJPETYSVSDOOR-QGZVFWFLSA-N	1	0	360.502	1.815	20	30		FDEDRO
CC(C)C[NH2+]C1(CO)CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000595510785	552575706	/nfs/dbraw/zinc/57/57/06/552575706.db2.gz	DXHXDXGPXPJPPC-GOSISDBHSA-N	1	0	361.486	1.370	20	30		FDEDRO
C[NH+]1CCN(C[C@@H](NC(=O)N2CC[C@](C)(C#N)C2)c2ccccc2)CC1	ZINC000595547107	552582275	/nfs/dbraw/zinc/58/22/75/552582275.db2.gz	OHCUNHYROKNFGP-UYAOXDASSA-N	1	0	355.486	1.920	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(c2ccsc2C#N)CC1	ZINC000595555789	552583853	/nfs/dbraw/zinc/58/38/53/552583853.db2.gz	UPHIGEZSNWTRDG-DZGCQCFKSA-N	1	0	359.499	1.934	20	30		FDEDRO
CC(C)([NH2+]CC(=O)N1CCN(C(=O)C2CC2)CC1)c1cccc(C#N)c1	ZINC000595634504	552595672	/nfs/dbraw/zinc/59/56/72/552595672.db2.gz	DHHFPHIFDJAIOC-UHFFFAOYSA-N	1	0	354.454	1.464	20	30		FDEDRO
CO[C@@]1(CO)CCC[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000595661607	552599067	/nfs/dbraw/zinc/59/90/67/552599067.db2.gz	XPGIAXQEUABOJS-KXWSQRDISA-N	1	0	351.491	1.779	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CC[N@@H+](C(C)(C)C)C3)CC2)c1C#N	ZINC000595698035	552604156	/nfs/dbraw/zinc/60/41/56/552604156.db2.gz	MNPSIUPCXXCCEG-HNNXBMFYSA-N	1	0	373.505	1.305	20	30		FDEDRO
CNC(=O)CCC[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595736773	552608654	/nfs/dbraw/zinc/60/86/54/552608654.db2.gz	YBNYYDGTLYZHMW-UHFFFAOYSA-N	1	0	352.442	1.597	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@@H](CN4CCCC4=O)C3)C2=O)cc1	ZINC000595828879	552620888	/nfs/dbraw/zinc/62/08/88/552620888.db2.gz	MFZNGMGHPMWMQP-AEFFLSMTSA-N	1	0	352.438	1.608	20	30		FDEDRO
N#Cc1ccc(-c2nnc(CN3CCC([N@@H+]4CC[C@@H](O)C4)CC3)o2)cc1	ZINC000595864806	552625521	/nfs/dbraw/zinc/62/55/21/552625521.db2.gz	CXPFJXVBEPHAOO-QGZVFWFLSA-N	1	0	353.426	1.639	20	30		FDEDRO
CCOC(=O)CC1([NH2+]CCC(=O)Nc2cccc(C#N)c2)CCOCC1	ZINC000595877382	552627481	/nfs/dbraw/zinc/62/74/81/552627481.db2.gz	MMFPYAUZDQTZMD-UHFFFAOYSA-N	1	0	359.426	1.979	20	30		FDEDRO
CN(C(=O)CN1CCO[C@H](CCC[NH+](C)C)C1)C1(C#N)CCCCC1	ZINC000595904774	552631456	/nfs/dbraw/zinc/63/14/56/552631456.db2.gz	KRHPDNUGVZGAAA-QGZVFWFLSA-N	1	0	350.507	1.714	20	30		FDEDRO
C=CC[C@@]1(C(=O)NC[C@@H](Cc2ccccc2OC)C(=O)OC)CCC[NH2+]1	ZINC000595955720	552638422	/nfs/dbraw/zinc/63/84/22/552638422.db2.gz	HKBSVIYIUMGRLN-UZLBHIALSA-N	1	0	360.454	1.841	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CCN(C(=O)[C@@H]4CCC[NH2+]C4)CC3)n[nH]2)cc1	ZINC000595971514	552640137	/nfs/dbraw/zinc/64/01/37/552640137.db2.gz	QRIUKFLWASPSGD-QGZVFWFLSA-N	1	0	364.453	1.597	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CCN(C(=O)[C@@H]([NH3+])C4CCC4)CC3)n[nH]2)cc1	ZINC000595971019	552640203	/nfs/dbraw/zinc/64/02/03/552640203.db2.gz	ONPVLCHSINMBOY-IBGZPJMESA-N	1	0	364.453	1.724	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CCN(C(=O)CCCC[NH3+])CC3)n[nH]2)cc1	ZINC000595970996	552640226	/nfs/dbraw/zinc/64/02/26/552640226.db2.gz	OLRNVZCWMWXBMK-UHFFFAOYSA-N	1	0	352.442	1.726	20	30		FDEDRO
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@@H](CCC#N)c1ccccc1	ZINC000596504932	552684520	/nfs/dbraw/zinc/68/45/20/552684520.db2.gz	QVPXLPOBYYRKCY-KRWDZBQOSA-N	1	0	359.474	1.693	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c(F)c1	ZINC000596569914	552689995	/nfs/dbraw/zinc/68/99/95/552689995.db2.gz	NJAYRAKJGJMCGN-HNNXBMFYSA-N	1	0	358.417	1.874	20	30		FDEDRO
N#CC1(CNC(=O)NC2(C[NH+]3CCN(c4ccccc4)CC3)CC2)CC1	ZINC000596586146	552691857	/nfs/dbraw/zinc/69/18/57/552691857.db2.gz	DCGAQVMDZVYPED-UHFFFAOYSA-N	1	0	353.470	1.944	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCCc2ccc(C#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000596672139	552699780	/nfs/dbraw/zinc/69/97/80/552699780.db2.gz	LUOHGRISIWMRFE-XLIONFOSSA-N	1	0	369.513	1.768	20	30		FDEDRO
N#CC[C@@]1(O)CCN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1	ZINC000596754749	552707552	/nfs/dbraw/zinc/70/75/52/552707552.db2.gz	YKBQCVOPOQPQFN-LJQANCHMSA-N	1	0	357.458	1.354	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)N1CCN([C@H]2CCOC2)CC1	ZINC000596833892	552715826	/nfs/dbraw/zinc/71/58/26/552715826.db2.gz	RJCIJNIDXCROOG-INIZCTEOSA-N	1	0	374.441	1.522	20	30		FDEDRO
Cc1cncc(CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1	ZINC000596854853	552718298	/nfs/dbraw/zinc/71/82/98/552718298.db2.gz	TZKCRALOITXDFW-UHFFFAOYSA-N	1	0	366.469	1.973	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)C1	ZINC000596876683	552720220	/nfs/dbraw/zinc/72/02/20/552720220.db2.gz	LNRUCHMBDBPCPX-DZGCQCFKSA-N	1	0	364.471	1.978	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H](CC(=O)OCC)C(F)(F)F)CC1	ZINC000597008918	552734251	/nfs/dbraw/zinc/73/42/51/552734251.db2.gz	GXCYINADTZWRNY-LBPRGKRZSA-N	1	0	351.369	1.820	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(Cc2ccc(C#N)cc2)C(C)C)C1	ZINC000597400751	552784450	/nfs/dbraw/zinc/78/44/50/552784450.db2.gz	BJGSRIOPLYXHLH-GOSISDBHSA-N	1	0	356.470	1.896	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)C1	ZINC000597401163	552784460	/nfs/dbraw/zinc/78/44/60/552784460.db2.gz	HBAJGPCRCCZEBR-INIZCTEOSA-N	1	0	369.469	1.066	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1	ZINC000597423263	552787461	/nfs/dbraw/zinc/78/74/61/552787461.db2.gz	VELYQAJDAOBEJM-UHFFFAOYSA-N	1	0	368.481	1.755	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@H]3CC34CC[NH2+]CC4)C2=O)cc1	ZINC000597438897	552789553	/nfs/dbraw/zinc/78/95/53/552789553.db2.gz	FVXRZIZWQZZGMV-SJORKVTESA-N	1	0	367.453	1.495	20	30		FDEDRO
N#Cc1c(F)cc(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)cc1F	ZINC000597691396	552822414	/nfs/dbraw/zinc/82/24/14/552822414.db2.gz	AKKCHLHDEVBSCE-UHFFFAOYSA-N	1	0	364.396	1.558	20	30		FDEDRO
CC(C)C[C@H](NC(=O)Cc1cccc(C#N)c1)C(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000597691971	552822619	/nfs/dbraw/zinc/82/26/19/552822619.db2.gz	KEQMTDOZLQYQPU-OALUTQOASA-N	1	0	370.497	1.794	20	30		FDEDRO
C[NH+](C)CC1CN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1	ZINC000597706723	552824384	/nfs/dbraw/zinc/82/43/84/552824384.db2.gz	YTPGCEVXYBMQMD-AWEZNQCLSA-N	1	0	360.845	1.585	20	30		FDEDRO
C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(-n3ncc(C#N)c3N)cc1)C2	ZINC000597716651	552825969	/nfs/dbraw/zinc/82/59/69/552825969.db2.gz	RDMCTZVUWBMGPL-HXUWFJFHSA-N	1	0	364.453	1.884	20	30		FDEDRO
CCOC(=O)c1ccc(N2CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC2)nc1	ZINC000598586020	552911537	/nfs/dbraw/zinc/91/15/37/552911537.db2.gz	NGPUWHKEKXHXIG-INIZCTEOSA-N	1	0	360.458	1.681	20	30		FDEDRO
C[C@H]1C[N@H+](C[C@@H](O)CC(C)(C)C#N)CCN1C[C@H](O)CC(C)(C)C#N	ZINC000598594560	552912919	/nfs/dbraw/zinc/91/29/19/552912919.db2.gz	ATINAKMGPVOVEF-YESZJQIVSA-N	1	0	350.507	1.594	20	30		FDEDRO
C[C@H]1C[N@H+](C[C@H](O)CC(C)(C)C#N)CCN1C[C@@H](O)CC(C)(C)C#N	ZINC000598594557	552912928	/nfs/dbraw/zinc/91/29/28/552912928.db2.gz	ATINAKMGPVOVEF-BBWFWOEESA-N	1	0	350.507	1.594	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000598720637	552928060	/nfs/dbraw/zinc/92/80/60/552928060.db2.gz	QHRGPJPSWFYUOT-RTBURBONSA-N	1	0	372.513	1.774	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2	ZINC000598725790	552928506	/nfs/dbraw/zinc/92/85/06/552928506.db2.gz	PHXDXNFSBYUFAI-IPMKNSEASA-N	1	0	370.497	1.476	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc(C(N)=O)[nH]3)CC2)c1	ZINC000598741304	552930226	/nfs/dbraw/zinc/93/02/26/552930226.db2.gz	MLROBQMINBAAHM-UHFFFAOYSA-N	1	0	351.410	1.380	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)N[C@@H]3CO[C@@H](C4CC4)C3)CC2)cc1	ZINC000599222053	552991670	/nfs/dbraw/zinc/99/16/70/552991670.db2.gz	QUFQGXSUPXRLOK-RBUKOAKNSA-N	1	0	354.454	1.953	20	30		FDEDRO
COC(=O)C[C@@H]1CSCC[N@@H+]1C[C@H](O)COc1ccccc1C#N	ZINC000599308877	553022331	/nfs/dbraw/zinc/02/23/31/553022331.db2.gz	CIOJSGPZXSIKMV-CABCVRRESA-N	1	0	350.440	1.278	20	30		FDEDRO
CS[C@@H]1CN(CC#CCN2C(=O)c3ccccc3C2=O)C[C@H]1[NH+](C)C	ZINC000599337967	553031513	/nfs/dbraw/zinc/03/15/13/553031513.db2.gz	NMQDSTZWLPERTC-IAGOWNOFSA-N	1	0	357.479	1.263	20	30		FDEDRO
CCC(CC)(CC(=O)OC)[NH2+]CC#CCN1C(=O)c2ccccc2C1=O	ZINC000599340207	553031618	/nfs/dbraw/zinc/03/16/18/553031618.db2.gz	CNXDNHOINYRRCI-UHFFFAOYSA-N	1	0	356.422	1.998	20	30		FDEDRO
COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2C[C@@H](O)CC2(C#N)CCOCC2)O1	ZINC000599403590	553047979	/nfs/dbraw/zinc/04/79/79/553047979.db2.gz	DJQFNNZSOZKNAH-ALYAQQCSSA-N	1	0	366.458	1.241	20	30		FDEDRO
CCOC(=O)CN(C)C(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1	ZINC000599632228	553108204	/nfs/dbraw/zinc/10/82/04/553108204.db2.gz	WCOBRQOWCFCIDA-UHFFFAOYSA-N	1	0	359.426	1.175	20	30		FDEDRO
N#CCCSc1ccccc1NC(=O)C(=O)NCC1([NH3+])CCOCC1	ZINC000599900970	553171366	/nfs/dbraw/zinc/17/13/66/553171366.db2.gz	VMGGKPSGMUHBGG-UHFFFAOYSA-N	1	0	362.455	1.255	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1	ZINC000599904243	553171870	/nfs/dbraw/zinc/17/18/70/553171870.db2.gz	ZDUXXQASKHRNJZ-SFHVURJKSA-N	1	0	370.453	1.308	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N[C@H]3CC[NH2+]C34CCC4)CC2)nc1	ZINC000599909041	553172752	/nfs/dbraw/zinc/17/27/52/553172752.db2.gz	VRDMZECZNKEPCF-INIZCTEOSA-N	1	0	354.458	1.506	20	30		FDEDRO
C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[NH2+]1	ZINC000599919912	553174254	/nfs/dbraw/zinc/17/42/54/553174254.db2.gz	XKBVXRKRNKKYEQ-FRFSOERESA-N	1	0	355.442	1.493	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)cc1	ZINC000599937731	553178162	/nfs/dbraw/zinc/17/81/62/553178162.db2.gz	JFPITZUJDCIVSI-GUDVDZBRSA-N	1	0	354.454	1.195	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)cc1	ZINC000599937728	553178341	/nfs/dbraw/zinc/17/83/41/553178341.db2.gz	JFPITZUJDCIVSI-CEXWTWQISA-N	1	0	354.454	1.195	20	30		FDEDRO
C[C@H]1CC[C@H](NC(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C[NH2+]1	ZINC000599962393	553186980	/nfs/dbraw/zinc/18/69/80/553186980.db2.gz	OABJEWBKAQRNTK-HOCLYGCPSA-N	1	0	370.453	1.185	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c(F)cc1C#N	ZINC000599976397	553190546	/nfs/dbraw/zinc/19/05/46/553190546.db2.gz	ANXPQAZTFQZJQC-JSGCOSHPSA-N	1	0	374.416	1.730	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N[C@H](C)C[N@H+](C)C(C)C)c(F)cc1C#N	ZINC000599981156	553192234	/nfs/dbraw/zinc/19/22/34/553192234.db2.gz	DOTBIQBAWDBWRU-LLVKDONJSA-N	1	0	350.394	1.489	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCC([NH+]3CCOCC3)CC2)cc1	ZINC000600105297	553219153	/nfs/dbraw/zinc/21/91/53/553219153.db2.gz	JWRNJAUIQBYFKA-FQEVSTJZSA-N	1	0	368.481	1.850	20	30		FDEDRO
CN1CCN(Cc2ccccc2)[C@H](CNC(=O)Cc2ccc(C#N)nc2)C1	ZINC000600114234	553220381	/nfs/dbraw/zinc/22/03/81/553220381.db2.gz	CYOPVVUGQQVEIP-HXUWFJFHSA-N	1	0	363.465	1.428	20	30		FDEDRO
COc1cc(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)cc(OC)c1OC	ZINC000600713958	553305815	/nfs/dbraw/zinc/30/58/15/553305815.db2.gz	HEOPHMGZUSQRFM-HNNXBMFYSA-N	1	0	364.442	1.873	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]CCNC(=O)c1ccc(F)cc1	ZINC000600720359	553306555	/nfs/dbraw/zinc/30/65/55/553306555.db2.gz	OUAKDOLQZYMQHN-QGZVFWFLSA-N	1	0	357.385	1.457	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1	ZINC000600721102	553307274	/nfs/dbraw/zinc/30/72/74/553307274.db2.gz	SHKXSGUUKVSIRB-HIFRSBDPSA-N	1	0	357.376	1.772	20	30		FDEDRO
CC(=O)Nc1cccc(OCC[NH2+]C[C@@H](O)COc2ccccc2C#N)c1	ZINC000600724706	553307507	/nfs/dbraw/zinc/30/75/07/553307507.db2.gz	ZIUILHUSGNKEGD-GOSISDBHSA-N	1	0	369.421	1.925	20	30		FDEDRO
COC1CCN(C(C)(C)C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)CC1	ZINC000600724115	553307518	/nfs/dbraw/zinc/30/75/18/553307518.db2.gz	XHVAAENVHYTGBQ-MRXNPFEDSA-N	1	0	353.507	1.537	20	30		FDEDRO
CCc1cc(N2CCC[C@@H]([NH2+]C[C@@H](O)CC3(C#N)CCOCC3)C2)ncn1	ZINC000600727683	553308014	/nfs/dbraw/zinc/30/80/14/553308014.db2.gz	QDEWROQTTWIQRE-MSOLQXFVSA-N	1	0	373.501	1.669	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]C[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)CC1	ZINC000600730924	553308346	/nfs/dbraw/zinc/30/83/46/553308346.db2.gz	JKMIBJVXNOQBBV-FHWLQOOXSA-N	1	0	368.481	1.230	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)CC1	ZINC000600730937	553308499	/nfs/dbraw/zinc/30/84/99/553308499.db2.gz	JKMIBJVXNOQBBV-OTWHNJEPSA-N	1	0	368.481	1.230	20	30		FDEDRO
Cc1cc(N2CCC[C@H]([NH2+]C[C@@H](O)CC3(C#N)CCOCC3)C2)n(C)n1	ZINC000600736531	553309139	/nfs/dbraw/zinc/30/91/39/553309139.db2.gz	ZVVQQYBKDVYCBH-IRXDYDNUSA-N	1	0	361.490	1.358	20	30		FDEDRO
Cc1cc(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)nc(N2CCCC2)n1	ZINC000600738114	553309280	/nfs/dbraw/zinc/30/92/80/553309280.db2.gz	HJKNGLMUAXKUAR-QGZVFWFLSA-N	1	0	359.474	1.546	20	30		FDEDRO
CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]C[C@H](O)CC2(C#N)CC2)s1	ZINC000600742423	553309947	/nfs/dbraw/zinc/30/99/47/553309947.db2.gz	WCXWDPRPJZTIPK-GRYCIOLGSA-N	1	0	351.476	1.708	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)CCOCC1	ZINC000600747018	553310736	/nfs/dbraw/zinc/31/07/36/553310736.db2.gz	ZJWSMAFAGRRHOH-DLBZAZTESA-N	1	0	357.454	1.732	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O	ZINC000600750469	553310831	/nfs/dbraw/zinc/31/08/31/553310831.db2.gz	WQBFKAGUNPOJDE-YQVWRLOYSA-N	1	0	360.454	1.455	20	30		FDEDRO
Cc1cc(NCC[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)nc(C(C)C)n1	ZINC000600762274	553312521	/nfs/dbraw/zinc/31/25/21/553312521.db2.gz	PZZUFLZPOSLBQZ-INIZCTEOSA-N	1	0	361.490	1.981	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1=O	ZINC000600762327	553312623	/nfs/dbraw/zinc/31/26/23/553312623.db2.gz	QRPUFPVOYHCHDT-DZGCQCFKSA-N	1	0	368.840	1.380	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1	ZINC000600797859	553315645	/nfs/dbraw/zinc/31/56/45/553315645.db2.gz	PNKVJGGNGCAKAF-OYRHEFFESA-N	1	0	368.481	1.755	20	30		FDEDRO
C[C@H](C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)n1cnc(C#N)n1	ZINC000600827881	553319662	/nfs/dbraw/zinc/31/96/62/553319662.db2.gz	ZMCHOKWGLNSGRR-LLVKDONJSA-N	1	0	358.368	1.586	20	30		FDEDRO
N#Cc1ccc(CN2CCC[N@@H+](C[C@H](O)CC3(O)CCOCC3)CC2)cc1	ZINC000600846292	553321401	/nfs/dbraw/zinc/32/14/01/553321401.db2.gz	PDLQBIFHULFTFR-HXUWFJFHSA-N	1	0	373.497	1.358	20	30		FDEDRO
C[NH+](C)CCCN1C(=O)C[C@@H](N2CCc3c(CC#N)cccc3C2)C1=O	ZINC000600888275	553325142	/nfs/dbraw/zinc/32/51/42/553325142.db2.gz	WXGVADSNBCHEDU-GOSISDBHSA-N	1	0	354.454	1.190	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)c2cc(Br)c3nccn3c2)CC1	ZINC000601042220	553343328	/nfs/dbraw/zinc/34/33/28/553343328.db2.gz	AYZDBJDDDMIIRH-UHFFFAOYSA-N	1	0	362.231	1.815	20	30		FDEDRO
C[NH+](C)CCCS(=O)(=O)N1CCN(c2ccc(C#N)cc2F)CC1	ZINC000601333729	553378071	/nfs/dbraw/zinc/37/80/71/553378071.db2.gz	UGRCEFXJLYMFJH-UHFFFAOYSA-N	1	0	354.451	1.101	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)NCc1cccc2c1CC[NH2+]C2	ZINC000601344695	553380851	/nfs/dbraw/zinc/38/08/51/553380851.db2.gz	ANGUXKYXRPJCCM-UHFFFAOYSA-N	1	0	357.435	1.691	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2ccccc2CC#N)C1	ZINC000601363322	553385799	/nfs/dbraw/zinc/38/57/99/553385799.db2.gz	MWZFDOQZNZXEJW-KRWDZBQOSA-N	1	0	365.499	1.874	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC([N@@H+]3CCCOCC3)CC2)c(F)c1	ZINC000601440776	553406637	/nfs/dbraw/zinc/40/66/37/553406637.db2.gz	XNCFDFJVOTWTOT-UHFFFAOYSA-N	1	0	367.446	1.573	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2ccccc2CC#N)CCO1	ZINC000601469286	553414277	/nfs/dbraw/zinc/41/42/77/553414277.db2.gz	OFARXRMCJQKLPH-INIZCTEOSA-N	1	0	351.472	1.484	20	30		FDEDRO
CCC1([NH+](C)C)CCN(C(=O)C(=O)NCc2ccc(CC#N)cc2)CC1	ZINC000601522406	553427690	/nfs/dbraw/zinc/42/76/90/553427690.db2.gz	YWVITPRUVMFWOO-UHFFFAOYSA-N	1	0	356.470	1.702	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CNC(=O)N2CCN(CCC#N)CC2)cc1	ZINC000601568349	553436864	/nfs/dbraw/zinc/43/68/64/553436864.db2.gz	RKWMZPDZLWEVFO-UHFFFAOYSA-N	1	0	359.474	1.368	20	30		FDEDRO
N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)cc2)cc1	ZINC000601573387	553437836	/nfs/dbraw/zinc/43/78/36/553437836.db2.gz	KOCTUHKZDNLUFY-HOTGVXAUSA-N	1	0	362.389	1.862	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c1	ZINC000601576820	553438840	/nfs/dbraw/zinc/43/88/40/553438840.db2.gz	WYFURESFJFCVMU-PHIMTYICSA-N	1	0	350.325	1.061	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCN(CCC#N)CC1	ZINC000601593651	553442072	/nfs/dbraw/zinc/44/20/72/553442072.db2.gz	DRHQVTUJCUMZLS-PKOBYXMFSA-N	1	0	355.486	1.748	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c(F)c1	ZINC000602035492	553505447	/nfs/dbraw/zinc/50/54/47/553505447.db2.gz	PYLCKMQEBKTHGX-UHFFFAOYSA-N	1	0	350.394	1.467	20	30		FDEDRO
COc1ccc(CN2CC[C@H]2C(=O)N(CCC#N)CCC[NH+](C)C)cc1	ZINC000602081724	553515495	/nfs/dbraw/zinc/51/54/95/553515495.db2.gz	AIUZOJASVYNLLS-IBGZPJMESA-N	1	0	358.486	1.963	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3C[C@@H]([NH+](C)C)C3(C)C)CC2)o1	ZINC000602174291	553533683	/nfs/dbraw/zinc/53/36/83/553533683.db2.gz	SVVQXPIANCDZMR-JKSUJKDBSA-N	1	0	359.474	1.916	20	30		FDEDRO
C[NH+]1CCN(C(C)(C)CNC(=O)N2CCc3c(CC#N)cccc3C2)CC1	ZINC000602231648	553543981	/nfs/dbraw/zinc/54/39/81/553543981.db2.gz	OGFKKDIVUUIOHM-UHFFFAOYSA-N	1	0	369.513	1.846	20	30		FDEDRO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C	ZINC000602527264	553599144	/nfs/dbraw/zinc/59/91/44/553599144.db2.gz	NRZYORYDXNSAPK-DLBZAZTESA-N	1	0	350.507	1.618	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1	ZINC000602574296	553606900	/nfs/dbraw/zinc/60/69/00/553606900.db2.gz	IELKMEYETMEPQT-QGZVFWFLSA-N	1	0	373.453	1.563	20	30		FDEDRO
CC(C)[C@@H]([NH2+]Cc1cccc(C#N)n1)C(=O)N(C)Cc1nnc2n1CCC2	ZINC000602651092	553618116	/nfs/dbraw/zinc/61/81/16/553618116.db2.gz	VFUAXAPMYZKAEF-GOSISDBHSA-N	1	0	367.457	1.264	20	30		FDEDRO
C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)CC1(O)CCOCC1	ZINC000602768578	553634505	/nfs/dbraw/zinc/63/45/05/553634505.db2.gz	KATFJFCADYHVRW-QGZVFWFLSA-N	1	0	350.415	1.875	20	30		FDEDRO
Cc1ccc(NC(=O)N2CCN(C(=O)CC#N)CC2)c(OCC[NH+](C)C)c1	ZINC000602863965	553654668	/nfs/dbraw/zinc/65/46/68/553654668.db2.gz	PDUCCASDVWAVHP-UHFFFAOYSA-N	1	0	373.457	1.525	20	30		FDEDRO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@](O)(C[NH+](C)C)C1	ZINC000602891138	553661829	/nfs/dbraw/zinc/66/18/29/553661829.db2.gz	LAAMJHREUVDKNC-ACJLOTCBSA-N	1	0	364.877	1.927	20	30		FDEDRO
CS(=O)(=O)N1CC[C@@H](C[NH+]2CCC(Nc3ccccc3C#N)CC2)C1	ZINC000602900227	553664649	/nfs/dbraw/zinc/66/46/49/553664649.db2.gz	MVUBRKSXAKXXPF-HNNXBMFYSA-N	1	0	362.499	1.716	20	30		FDEDRO
COC(=O)Cn1cc(CC[NH+]2CCC(c3ccc(C#N)cn3)CC2)nn1	ZINC000602908384	553666347	/nfs/dbraw/zinc/66/63/47/553666347.db2.gz	QQXDFVHOJXIEIZ-UHFFFAOYSA-N	1	0	354.414	1.140	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1	ZINC000602923346	553669700	/nfs/dbraw/zinc/66/97/00/553669700.db2.gz	HZEBVXWERJTTAJ-ILZDJORESA-N	1	0	354.406	1.422	20	30		FDEDRO
COC[C@@](C)(CO)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000602932502	553672755	/nfs/dbraw/zinc/67/27/55/553672755.db2.gz	OYEMJYKFEVOZDA-QGZVFWFLSA-N	1	0	351.472	1.814	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)Nc3ccnc(C#N)c3)cn2)CC1	ZINC000603138600	553713929	/nfs/dbraw/zinc/71/39/29/553713929.db2.gz	KTKOBTLLHUBWLY-UHFFFAOYSA-N	1	0	351.414	1.422	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](n3cc(C[C@H]4CC[NH2+]C4)nn3)C2=O)cc1	ZINC000603239536	553740167	/nfs/dbraw/zinc/74/01/67/553740167.db2.gz	RSGXLGVRJXBLHS-QAPCUYQASA-N	1	0	350.426	1.670	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc(CN(C)c2cnc(C#N)cn2)nn1	ZINC000603254586	553744356	/nfs/dbraw/zinc/74/43/56/553744356.db2.gz	YRNCLUVKPDLXCY-QGZVFWFLSA-N	1	0	354.462	1.839	20	30		FDEDRO
COCCOCc1cc(C#N)ccc1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC000603410754	553782062	/nfs/dbraw/zinc/78/20/62/553782062.db2.gz	KKRYRKQAMCDLQG-LJQANCHMSA-N	1	0	359.470	1.757	20	30		FDEDRO
N#Cc1cc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)ccc1[N+](=O)[O-]	ZINC000603422343	553784193	/nfs/dbraw/zinc/78/41/93/553784193.db2.gz	GKNHKBHJOCBMNY-QGZVFWFLSA-N	1	0	359.430	1.675	20	30		FDEDRO
N#Cc1ccccc1N1CCC[N@@H+](C[C@@H](O)COC[C@H]2CCCO2)CC1	ZINC000603662630	553808651	/nfs/dbraw/zinc/80/86/51/553808651.db2.gz	UTZLRCBTUVFLQK-RTBURBONSA-N	1	0	359.470	1.627	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)COc2cccc(Br)c2)CC1	ZINC000603884716	553824162	/nfs/dbraw/zinc/82/41/62/553824162.db2.gz	ISTQSUNTPOZSSD-UHFFFAOYSA-N	1	0	352.232	1.932	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCNC(=O)[C@H]1C(C)C)C(C)C	ZINC000604173108	553849450	/nfs/dbraw/zinc/84/94/50/553849450.db2.gz	AADVPYPJBAJVQG-DLBZAZTESA-N	1	0	350.507	1.851	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000609268781	554353737	/nfs/dbraw/zinc/35/37/37/554353737.db2.gz	BIYYCQXFRJLMJY-INIZCTEOSA-N	1	0	368.441	1.167	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C1	ZINC000609269425	554354097	/nfs/dbraw/zinc/35/40/97/554354097.db2.gz	QDSLRAZAHQYOOG-PKOBYXMFSA-N	1	0	356.470	1.754	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccc(C#N)cc2)CC1	ZINC000609357109	554372210	/nfs/dbraw/zinc/37/22/10/554372210.db2.gz	OGVDXMKZVZTQNI-UHFFFAOYSA-N	1	0	358.442	1.502	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(C(N)=O)(c2ccccc2)CC1	ZINC000609672880	554410125	/nfs/dbraw/zinc/41/01/25/554410125.db2.gz	VCONAWMCNOWKIK-OXJNMPFZSA-N	1	0	370.497	1.948	20	30		FDEDRO
CC[C@H](C[NH+]1CCCC1)NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000609833915	554426343	/nfs/dbraw/zinc/42/63/43/554426343.db2.gz	ZXZDNYNDVPILCY-MRXNPFEDSA-N	1	0	352.442	1.930	20	30		FDEDRO
C[NH+](C)CCn1cc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1	ZINC000610478103	554516094	/nfs/dbraw/zinc/51/60/94/554516094.db2.gz	ORVJPYBPGJXVJM-UHFFFAOYSA-N	1	0	368.445	1.065	20	30		FDEDRO
C[C@@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000610511959	554520744	/nfs/dbraw/zinc/52/07/44/554520744.db2.gz	BGYPSKAVRBPZJR-CQSZACIVSA-N	1	0	350.488	1.575	20	30		FDEDRO
CC(C)(O)C[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)C1CCOCC1	ZINC000610550670	554527057	/nfs/dbraw/zinc/52/70/57/554527057.db2.gz	LRLNEOXIVWKRFP-SFHVURJKSA-N	1	0	362.470	1.744	20	30		FDEDRO
Cc1ccc(-n2nc(CCCNC(=O)[C@H](C)[NH+](C)C)c(C#N)c2N)cc1	ZINC000610560084	554528152	/nfs/dbraw/zinc/52/81/52/554528152.db2.gz	ZFBQQOIJBZHQLJ-AWEZNQCLSA-N	1	0	354.458	1.634	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N1CCC[N@H+](C[C@H]2CCCO2)CC1	ZINC000610582148	554533908	/nfs/dbraw/zinc/53/39/08/554533908.db2.gz	BNLCJCMFOFURPE-MOPGFXCFSA-N	1	0	357.454	1.959	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H](N2CCC[N@H+](C[C@H]3CCCO3)CC2)C1=O	ZINC000610582163	554534228	/nfs/dbraw/zinc/53/42/28/554534228.db2.gz	DGHCUCHJFVMEFJ-SJORKVTESA-N	1	0	374.510	1.912	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1	ZINC000610684305	554549620	/nfs/dbraw/zinc/54/96/20/554549620.db2.gz	KQBZKXBTSAIODA-ZBFHGGJFSA-N	1	0	369.473	1.053	20	30		FDEDRO
C[N@@H+]1CCCN(CCCNC(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1	ZINC000610807392	554564571	/nfs/dbraw/zinc/56/45/71/554564571.db2.gz	LGDHUAZJYAIEDD-UHFFFAOYSA-N	1	0	358.486	1.859	20	30		FDEDRO
COC[C@](C)(C#N)NC(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C	ZINC000610925187	554581231	/nfs/dbraw/zinc/58/12/31/554581231.db2.gz	IIIZMYPDYLJHQU-IBGZPJMESA-N	1	0	368.441	1.222	20	30		FDEDRO
CC[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c1ccccc1OCC(=O)NC	ZINC000611379674	554629827	/nfs/dbraw/zinc/62/98/27/554629827.db2.gz	AIUASMBFIMSOAU-OXJNMPFZSA-N	1	0	374.485	1.907	20	30		FDEDRO
N#CCN1CCC(NC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1	ZINC000611620174	554656315	/nfs/dbraw/zinc/65/63/15/554656315.db2.gz	KAQQXLFBCBCCSB-IBGZPJMESA-N	1	0	371.485	1.040	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)N2CCC[C@@](C)(C#N)C2)CC1	ZINC000612113688	554735736	/nfs/dbraw/zinc/73/57/36/554735736.db2.gz	YQTKINLRARNZJI-IBGZPJMESA-N	1	0	356.474	1.669	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nc(C(C)(C)C)ccc2C#N)CC1	ZINC000613429884	554925296	/nfs/dbraw/zinc/92/52/96/554925296.db2.gz	UYQQBWIMVDGPRC-MRXNPFEDSA-N	1	0	355.486	1.994	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1	ZINC000613859868	554980681	/nfs/dbraw/zinc/98/06/81/554980681.db2.gz	KKAOTZOLAIDZKQ-VQTJNVASSA-N	1	0	371.529	1.571	20	30		FDEDRO
CC(=O)N(C)c1ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc1	ZINC000615154264	555167759	/nfs/dbraw/zinc/16/77/59/555167759.db2.gz	VVLDWWGJPHCHIE-UHFFFAOYSA-N	1	0	373.457	1.302	20	30		FDEDRO
CC[C@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1ccccc1OCC(=O)NC	ZINC000615229167	555175898	/nfs/dbraw/zinc/17/58/98/555175898.db2.gz	WCRKNMMDOLISLL-HNNXBMFYSA-N	1	0	358.442	1.415	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC	ZINC000615378035	555196786	/nfs/dbraw/zinc/19/67/86/555196786.db2.gz	VXTCFWOKZRPJCL-WFFDWFOESA-N	1	0	351.491	1.558	20	30		FDEDRO
COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(C[C@H](C)C#N)C1CC1	ZINC000615380219	555197199	/nfs/dbraw/zinc/19/71/99/555197199.db2.gz	BHBYEIJCOPEWGR-CYBMUJFWSA-N	1	0	358.442	1.846	20	30		FDEDRO
CCn1ccc(CN(C)CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1	ZINC000616786257	555336879	/nfs/dbraw/zinc/33/68/79/555336879.db2.gz	QXDJOVGOEOKGCN-UHFFFAOYSA-N	1	0	370.457	1.457	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000617023118	555375684	/nfs/dbraw/zinc/37/56/84/555375684.db2.gz	IEEJHZUPOSAJTI-SJORKVTESA-N	1	0	355.442	1.053	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C[C@H](O)COc1ccc(CC#N)cc1	ZINC000618766593	555675575	/nfs/dbraw/zinc/67/55/75/555675575.db2.gz	QDOZQEFNQSYWMI-PXNSSMCTSA-N	1	0	373.497	1.677	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000618848047	555688207	/nfs/dbraw/zinc/68/82/07/555688207.db2.gz	HNRGZPARWZZMQC-IPMKNSEASA-N	1	0	354.454	1.786	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)N[C@@H]3CCc4cc(C#N)ccc43)C2)CC1	ZINC000618852283	555688892	/nfs/dbraw/zinc/68/88/92/555688892.db2.gz	DOZRGKHTLMTMRC-AZUAARDMSA-N	1	0	367.497	1.967	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H]([NH2+]C[C@@H]3CNc4ccnn4C3)C2=O)cc1	ZINC000619264806	555747779	/nfs/dbraw/zinc/74/77/79/555747779.db2.gz	MHVSIAYWWZKNCQ-IAGOWNOFSA-N	1	0	350.426	1.187	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)n1cnc(C#N)n1	ZINC000619588441	555804655	/nfs/dbraw/zinc/80/46/55/555804655.db2.gz	SOVNYZVFLZXHDV-CQSZACIVSA-N	1	0	353.430	1.097	20	30		FDEDRO
C[C@H](C(=O)N1CCCC1)N1CC[NH+](CCCC2(C#N)CCOCC2)CC1	ZINC000619620764	555810872	/nfs/dbraw/zinc/81/08/72/555810872.db2.gz	IWCORYAXVGLKEX-GOSISDBHSA-N	1	0	362.518	1.715	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)c2cc3ccccc3n2CC#N)CC1(C)C	ZINC000619675501	555820370	/nfs/dbraw/zinc/82/03/70/555820370.db2.gz	IHWAECICRQHMTO-UHFFFAOYSA-N	1	0	353.470	1.921	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1Cl	ZINC000619826735	555841039	/nfs/dbraw/zinc/84/10/39/555841039.db2.gz	HYJROZHIONBBTL-SJORKVTESA-N	1	0	362.861	1.952	20	30		FDEDRO
CCN1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1=O	ZINC000619829325	555841574	/nfs/dbraw/zinc/84/15/74/555841574.db2.gz	QWBIHFJHFGVQFC-QGZVFWFLSA-N	1	0	357.458	1.252	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CCCC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2	ZINC000619873526	555847398	/nfs/dbraw/zinc/84/73/98/555847398.db2.gz	KDUZOEKFEDPDSL-QGZVFWFLSA-N	1	0	369.469	1.173	20	30		FDEDRO
C=CCCOCC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1	ZINC000620205948	555907164	/nfs/dbraw/zinc/90/71/64/555907164.db2.gz	MHEZTFZKDSRJPS-UHFFFAOYSA-N	1	0	353.507	1.522	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCN(c3ccc(F)cc3C(N)=O)CC2)CCC[NH2+]1	ZINC000621677253	556138214	/nfs/dbraw/zinc/13/82/14/556138214.db2.gz	YHQVHPQKDRPBLN-LJQANCHMSA-N	1	0	360.433	1.272	20	30		FDEDRO
C=CCCOCC[NH2+]Cc1c[nH]nc1CN1C(=O)c2ccccc2C1=O	ZINC000623474051	556428128	/nfs/dbraw/zinc/42/81/28/556428128.db2.gz	PWSZPUKMKOOYOE-UHFFFAOYSA-N	1	0	354.410	1.888	20	30		FDEDRO
O=C(NC[C@@H]1COCC[NH2+]1)C(=O)Nc1cccc(C#Cc2cccs2)c1	ZINC000626879942	557209722	/nfs/dbraw/zinc/20/97/22/557209722.db2.gz	VRBKMFARBDYWJB-MRXNPFEDSA-N	1	0	369.446	1.191	20	30		FDEDRO
O=C(NC[C@H]1COCC[NH2+]1)C(=O)Nc1cccc(C#Cc2cccs2)c1	ZINC000626879940	557210160	/nfs/dbraw/zinc/21/01/60/557210160.db2.gz	VRBKMFARBDYWJB-INIZCTEOSA-N	1	0	369.446	1.191	20	30		FDEDRO
C=CCOc1c(Br)cc(C[NH+](CCO)CCO)cc1OC	ZINC000628369409	557625206	/nfs/dbraw/zinc/62/52/06/557625206.db2.gz	RPVWPRKUNIJHNA-UHFFFAOYSA-N	1	0	360.248	1.809	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000632637098	558195283	/nfs/dbraw/zinc/19/52/83/558195283.db2.gz	OEEOHUGCWNSWIF-KRWDZBQOSA-N	1	0	365.518	1.666	20	30		FDEDRO
C=CCn1c(COCCOC)nnc1N1CC[NH+](C(C)(C)CC)CC1	ZINC000634338596	558452063	/nfs/dbraw/zinc/45/20/63/558452063.db2.gz	FUUTUKZKVPOGFP-UHFFFAOYSA-N	1	0	351.495	1.938	20	30		FDEDRO
C=CCn1c(COCCOC)nnc1N1CCC(CC)([NH+](C)C)CC1	ZINC000634338534	558452288	/nfs/dbraw/zinc/45/22/88/558452288.db2.gz	CNFIZZODAZZHKB-UHFFFAOYSA-N	1	0	351.495	1.938	20	30		FDEDRO
C=CCn1c(N2CC[N@H+](C)[C@@H](C(C)C)C2)nnc1C1(OC)CCOCC1	ZINC000634340067	558452573	/nfs/dbraw/zinc/45/25/73/558452573.db2.gz	ABXPWGWGNHIEIW-MRXNPFEDSA-N	1	0	363.506	1.893	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000636742226	568005560	/nfs/dbraw/zinc/00/55/60/568005560.db2.gz	ULPVQQGOYAWAEK-MRXNPFEDSA-N	1	0	365.518	1.712	20	30		FDEDRO
C=CCN(CC1CCCCC1)C(=O)C(=O)N1CCN(C[C@H](C)O)CC1	ZINC000410563015	568194107	/nfs/dbraw/zinc/19/41/07/568194107.db2.gz	NFAJZVMTCZORPS-INIZCTEOSA-N	1	0	351.491	1.106	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1	ZINC000637043787	568322018	/nfs/dbraw/zinc/32/20/18/568322018.db2.gz	ZHAOTSUBPRKTED-QGZVFWFLSA-N	1	0	374.485	1.117	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC)CC1	ZINC000735426205	598413159	/nfs/dbraw/zinc/41/31/59/598413159.db2.gz	LWFAGAHUSMYVFJ-UHFFFAOYSA-N	1	0	357.418	1.647	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1	ZINC000272383792	674437275	/nfs/dbraw/zinc/43/72/75/674437275.db2.gz	CBCJFQGJQGJUQM-WMLDXEAASA-N	1	0	363.483	1.317	20	30		FDEDRO
C[NH+](C)CCCNC(=S)NN=C1CCCc2cc(-c3nn[nH]n3)ccc21	ZINC000821584502	599338784	/nfs/dbraw/zinc/33/87/84/599338784.db2.gz	HAWSWAXIVBGYNI-UHFFFAOYSA-N	1	0	372.502	1.323	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)ccc1F	ZINC000272648050	674463982	/nfs/dbraw/zinc/46/39/82/674463982.db2.gz	YPXMWTVDKWTZND-VXGBXAGGSA-N	1	0	355.435	1.112	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)NCc1cccc(OCC[NH+](C)C)c1	ZINC000272876175	674483830	/nfs/dbraw/zinc/48/38/30/674483830.db2.gz	UJZXMOOIIMXLGP-UHFFFAOYSA-N	1	0	369.487	1.027	20	30		FDEDRO
COc1ccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)cc1-c1nn[nH]n1	ZINC000826202780	607568002	/nfs/dbraw/zinc/56/80/02/607568002.db2.gz	MURSLNNBWSENAO-UHFFFAOYSA-N	1	0	360.381	1.684	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cc(C#N)c[nH]1	ZINC000821585971	606317090	/nfs/dbraw/zinc/31/70/90/606317090.db2.gz	DCNRLWXUXRMEJB-UHFFFAOYSA-N	1	0	364.413	1.270	20	30		FDEDRO
Cc1ccc(-c2nn[nH]n2)cc1NC(=O)N(CCC#N)CCC[NH+](C)C	ZINC000822217304	606657497	/nfs/dbraw/zinc/65/74/97/606657497.db2.gz	AQQATVNHQAIOPH-UHFFFAOYSA-N	1	0	356.434	1.874	20	30		FDEDRO
C[N@@H+](CC#Cc1ccc(Cl)cc1)CCCc1[nH]nc(N)c1-c1nn[nH]n1	ZINC000825887137	608034332	/nfs/dbraw/zinc/03/43/32/608034332.db2.gz	DNYGYDIZOZGSBC-UHFFFAOYSA-N	1	0	370.848	1.742	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1cccc(-c2nn[nH]n2)c1	ZINC000824564433	608485792	/nfs/dbraw/zinc/48/57/92/608485792.db2.gz	TXBHAKIMLXKEGM-ZDUSSCGKSA-N	1	0	361.409	1.705	20	30		FDEDRO
N#Cc1cccc(NC(=O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c1	ZINC000826387384	608529623	/nfs/dbraw/zinc/52/96/23/608529623.db2.gz	SILJYIXOQUCZHW-UHFFFAOYSA-N	1	0	359.393	1.956	20	30		FDEDRO
CC(=NNC(=S)NCCC[NH+](C)C)c1ccc(-c2nn[nH]n2)cc1F	ZINC000823953903	609276823	/nfs/dbraw/zinc/27/68/23/609276823.db2.gz	VBGROKOYRXDVRO-UHFFFAOYSA-N	1	0	364.454	1.146	20	30		FDEDRO
C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(-c2nn[nH]n2)cc1F	ZINC000824598361	609340906	/nfs/dbraw/zinc/34/09/06/609340906.db2.gz	FEPHSBDKSMPNQR-IJCFTNORSA-N	1	0	371.376	1.183	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1ccc(CC#N)cc1	ZINC000825935206	609600069	/nfs/dbraw/zinc/60/00/69/609600069.db2.gz	WYBMIIQTORLPKN-UHFFFAOYSA-N	1	0	351.418	1.303	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCc2ccc(Cl)cc2-c2nn[nH]n2)CC1	ZINC000823849960	609616580	/nfs/dbraw/zinc/61/65/80/609616580.db2.gz	FBBRWTPXBXLKNE-UHFFFAOYSA-N	1	0	359.817	1.909	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1cccnc1C#N	ZINC000277178279	674877874	/nfs/dbraw/zinc/87/78/74/674877874.db2.gz	NJJIWAUQDUXKNN-UHFFFAOYSA-N	1	0	350.469	1.767	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(F)cc2C#N)CCCO1	ZINC000278059380	675086485	/nfs/dbraw/zinc/08/64/85/675086485.db2.gz	YQZDNMGDFMHINR-ZDUSSCGKSA-N	1	0	355.435	1.477	20	30		FDEDRO
NC(=NOC[C@@H]1CCS(=O)(=O)C1)c1cccc(C[NH+]2CCCCC2)c1	ZINC000278703944	675182444	/nfs/dbraw/zinc/18/24/44/675182444.db2.gz	RDKPFZRRQIUWLF-INIZCTEOSA-N	1	0	365.499	1.744	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)CN2CCC[C@@](F)(CO)C2)c(OC)c1	ZINC000286715322	675900335	/nfs/dbraw/zinc/90/03/35/675900335.db2.gz	CCICBNUURARGBN-APWZRJJASA-N	1	0	353.434	1.960	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)c2nccs2)CC1	ZINC000286719945	675900556	/nfs/dbraw/zinc/90/05/56/675900556.db2.gz	QXGKAFXZMOFKPK-ZDUSSCGKSA-N	1	0	350.488	1.520	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)N1C[C@H](C)C[C@H](C)C1	ZINC000088664774	671490281	/nfs/dbraw/zinc/49/02/81/671490281.db2.gz	VWCPRBLCQPQNLY-XHSDSOJGSA-N	1	0	374.551	1.028	20	30		FDEDRO
C=CCN(Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000092361038	671516646	/nfs/dbraw/zinc/51/66/46/671516646.db2.gz	MDAKPAVJDDDBSY-QGZVFWFLSA-N	1	0	352.500	1.802	20	30		FDEDRO
CCCC[NH+]=C(NCCNS(=O)(=O)CC)NCc1ccc(C)cc1	ZINC000104170939	671594742	/nfs/dbraw/zinc/59/47/42/671594742.db2.gz	UHFVEKGVTWFFMY-UHFFFAOYSA-N	1	0	354.520	1.770	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1ccc(F)cc1C(F)(F)F	ZINC000104161915	671594765	/nfs/dbraw/zinc/59/47/65/671594765.db2.gz	UPXMPBUFKJSHKG-UHFFFAOYSA-N	1	0	362.371	1.842	20	30		FDEDRO
[NH2+]=C(NC[C@H](O)COCC1CC1)N1CCN(c2ccc(F)cc2)CC1	ZINC000104183287	671595006	/nfs/dbraw/zinc/59/50/06/671595006.db2.gz	INVUJACPUFXJQE-KRWDZBQOSA-N	1	0	350.438	1.050	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1	ZINC000105417164	671601490	/nfs/dbraw/zinc/60/14/90/671601490.db2.gz	JJARTXGGJNRIQC-CQSZACIVSA-N	1	0	359.451	1.957	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCCOCC3CC3)=[NH+]C[C@@H]2C1	ZINC000133866874	671824084	/nfs/dbraw/zinc/82/40/84/671824084.db2.gz	HEFAJTBBSSTJKZ-OAHLLOKOSA-N	1	0	352.479	1.684	20	30		FDEDRO
CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)cc1	ZINC000154115850	671914963	/nfs/dbraw/zinc/91/49/63/671914963.db2.gz	HVHOQFKROGCUKI-INIZCTEOSA-N	1	0	350.488	1.550	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCOC3CCCC3)=[NH+]C[C@@H]2C1	ZINC000177002465	672120212	/nfs/dbraw/zinc/12/02/12/672120212.db2.gz	CBLZQQAYWAFACF-CQSZACIVSA-N	1	0	352.479	1.826	20	30		FDEDRO
C=CCNC(=[NH2+])NCc1ccc(Br)cc1N1CCOCC1	ZINC000178995549	672152917	/nfs/dbraw/zinc/15/29/17/672152917.db2.gz	GOVXPYZDYIGXAC-UHFFFAOYSA-N	1	0	353.264	1.876	20	30		FDEDRO
C[NH+]=C(NCCC(=O)N1CCOCC1)N1CCSC2(CCCCC2)C1	ZINC000179069270	672154186	/nfs/dbraw/zinc/15/41/86/672154186.db2.gz	MEFODVQZAPCNMR-UHFFFAOYSA-N	1	0	368.547	1.562	20	30		FDEDRO
C[NH+]=C(NCCN1CCOC(C)(C)C1)N1CCN(c2cccs2)CC1	ZINC000179210394	672156080	/nfs/dbraw/zinc/15/60/80/672156080.db2.gz	PKNWQWFJIKAHOE-UHFFFAOYSA-N	1	0	365.547	1.556	20	30		FDEDRO
C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)Cc2ccc(C#N)cc2)CC1	ZINC000288306997	675990501	/nfs/dbraw/zinc/99/05/01/675990501.db2.gz	KEEVOMZRLKNLQT-HNNXBMFYSA-N	1	0	365.499	1.413	20	30		FDEDRO
NC(=O)c1coc(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)c1	ZINC000186876740	672276955	/nfs/dbraw/zinc/27/69/55/672276955.db2.gz	WIGONLJKFQTMPT-UHFFFAOYSA-N	1	0	361.833	1.669	20	30		FDEDRO
[NH2+]=C(NC[C@@H](c1cccc(F)c1)N1CCOCC1)NC[C@H]1CCCO1	ZINC000195522770	672408209	/nfs/dbraw/zinc/40/82/09/672408209.db2.gz	NLFWILJOCBPRQQ-SJORKVTESA-N	1	0	350.438	1.282	20	30		FDEDRO
[NH2+]=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)NC[C@@H]1CCCO1	ZINC000195522767	672408225	/nfs/dbraw/zinc/40/82/25/672408225.db2.gz	NLFWILJOCBPRQQ-DLBZAZTESA-N	1	0	350.438	1.282	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1	ZINC000238016514	672432211	/nfs/dbraw/zinc/43/22/11/672432211.db2.gz	QJAOUGWOLKYHDD-GDBMZVCRSA-N	1	0	351.472	1.398	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)[C@H](C)C1	ZINC000249491431	672565435	/nfs/dbraw/zinc/56/54/35/672565435.db2.gz	FGNFHTZCUSDDHS-OLZOCXBDSA-N	1	0	350.850	1.537	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H](C)C1	ZINC000249491433	672565681	/nfs/dbraw/zinc/56/56/81/672565681.db2.gz	FGNFHTZCUSDDHS-STQMWFEESA-N	1	0	350.850	1.537	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)CN1CCCN(S(C)(=O)=O)CC1	ZINC000249738469	672579815	/nfs/dbraw/zinc/57/98/15/672579815.db2.gz	XBQZVCJUTAXZJR-QGZVFWFLSA-N	1	0	368.499	1.122	20	30		FDEDRO
C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N1CCC[C@@H](CC(N)=O)C1	ZINC000261678705	672649500	/nfs/dbraw/zinc/64/95/00/672649500.db2.gz	CUTIOACBWLIDGG-VIFPVBQESA-N	1	0	363.409	1.825	20	30		FDEDRO
C[NH+]=C(NCc1ccc(NS(C)(=O)=O)cc1)N(C)C[C@H]1CCOC1	ZINC000261701643	672654245	/nfs/dbraw/zinc/65/42/45/672654245.db2.gz	UBISJQDWIDFGTC-CQSZACIVSA-N	1	0	354.476	1.102	20	30		FDEDRO
C[NH+]=C(NCC1(SC)CCOCC1)N1CCN(C[C@H]2CCOC2)CC1	ZINC000261728772	672659709	/nfs/dbraw/zinc/65/97/09/672659709.db2.gz	LJRDPNDAUWDQLA-MRXNPFEDSA-N	1	0	370.563	1.128	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1	ZINC000261736945	672661579	/nfs/dbraw/zinc/66/15/79/672661579.db2.gz	IBYAFDJOJSORTH-IYBDPMFKSA-N	1	0	363.483	1.223	20	30		FDEDRO
[NH2+]=C(NCC(=O)Nc1ccc(I)cc1)NC1CC1	ZINC000261753042	672665516	/nfs/dbraw/zinc/66/55/16/672665516.db2.gz	KETBFHRTGKBZKI-UHFFFAOYSA-N	1	0	358.183	1.296	20	30		FDEDRO
CC[C@]1(C)CCN(C(NCCS(=O)(=O)N2CCSCC2)=[NH+]C)C1	ZINC000261810887	672676079	/nfs/dbraw/zinc/67/60/79/672676079.db2.gz	SLQTXOKHENGDEV-OAHLLOKOSA-N	1	0	362.565	1.062	20	30		FDEDRO
C[C@@H]1CCC[C@H]([NH+]=C(NC[C@H]2CCS(=O)(=O)C2)NC[C@@H]2CCOC2)C1	ZINC000261826774	672679293	/nfs/dbraw/zinc/67/92/93/672679293.db2.gz	NZAYADODANMADM-TWMKSMIVSA-N	1	0	371.547	1.572	20	30		FDEDRO
C[NH+]=C(NCC(=O)NC1CCCCC1)N1CCN(c2cccs2)CC1	ZINC000261845635	672682012	/nfs/dbraw/zinc/68/20/12/672682012.db2.gz	XEIGVRMIFNRSRH-UHFFFAOYSA-N	1	0	363.531	1.894	20	30		FDEDRO
C[NH+]=C(NCCN1CCCS1(=O)=O)N1CC[C@@](C)(c2ccccc2)C1	ZINC000261853149	672683487	/nfs/dbraw/zinc/68/34/87/672683487.db2.gz	YFSZJVJOKNMJAA-GOSISDBHSA-N	1	0	364.515	1.261	20	30		FDEDRO
C[NH+]=C(NC[C@](C)(O)c1ccco1)N1CCN([C@@H](C)C(F)(F)F)CC1	ZINC000261895876	672690265	/nfs/dbraw/zinc/69/02/65/672690265.db2.gz	QZKFDQNJIHDAIQ-WFASDCNBSA-N	1	0	362.396	1.631	20	30		FDEDRO
CC[NH+]=C(NCC(C)(C)C(=O)NC)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000261913249	672692451	/nfs/dbraw/zinc/69/24/51/672692451.db2.gz	JOOLMEVJRJINNH-UHFFFAOYSA-N	1	0	353.511	1.055	20	30		FDEDRO
CC[NH+]=C(NCCc1c(C)nn(C)c1C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261965375	672703346	/nfs/dbraw/zinc/70/33/46/672703346.db2.gz	LJWGVSMMZARBLV-UHFFFAOYSA-N	1	0	369.535	1.054	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)Cc1ccccc1)N1CC[C@]2(CCOC2)C1	ZINC000262010012	672711359	/nfs/dbraw/zinc/71/13/59/672711359.db2.gz	WJPCNEDPYSUVLL-SFHVURJKSA-N	1	0	365.499	1.289	20	30		FDEDRO
[NH2+]=C(NC[C@H]1CCCCS1(=O)=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000262160956	672738301	/nfs/dbraw/zinc/73/83/01/672738301.db2.gz	BBQPWKVOQJUHAE-MRXNPFEDSA-N	1	0	368.478	1.230	20	30		FDEDRO
[NH2+]=C(NC[C@]1(N2CCOCC2)CCSC1)Nc1cc(F)ccc1F	ZINC000262243424	672753130	/nfs/dbraw/zinc/75/31/30/672753130.db2.gz	BVRLPNOTQZWWBW-MRXNPFEDSA-N	1	0	356.442	1.899	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(N[C@H]2CCc3ccccc3C2)=[NH+]C2CC2)C1	ZINC000262250066	672754898	/nfs/dbraw/zinc/75/48/98/672754898.db2.gz	QJRMJBVEDOIKQA-KDOFPFPSSA-N	1	0	361.511	1.676	20	30		FDEDRO
C=CCNC(N[C@@H]1CCc2ccccc2C1)=[NH+]C[C@H]1CCS(=O)(=O)C1	ZINC000262257868	672756391	/nfs/dbraw/zinc/75/63/91/672756391.db2.gz	RNBVRPPDIJUDND-CRAIPNDOSA-N	1	0	361.511	1.700	20	30		FDEDRO
CC[C@H](C)[NH+]=C(NCC(=O)N(C)C)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2	ZINC000262260293	672756751	/nfs/dbraw/zinc/75/67/51/672756751.db2.gz	DOSFUOFVQQXNKA-XJNFMUPTSA-N	1	0	350.507	1.756	20	30		FDEDRO
CN(C)C(=O)C[NH+]=C(NCc1cccs1)N1CCC2(C1)CCOCC2	ZINC000262294944	672763866	/nfs/dbraw/zinc/76/38/66/672763866.db2.gz	MBGLVTRATJHQOP-UHFFFAOYSA-N	1	0	364.515	1.784	20	30		FDEDRO
C[C@H](NC(=[NH2+])NCCS(=O)(=O)N(C)C)c1ccc(Cl)cc1Cl	ZINC000262306686	672766397	/nfs/dbraw/zinc/76/63/97/672766397.db2.gz	OVHHTCRTLKAMKZ-VIFPVBQESA-N	1	0	367.302	1.850	20	30		FDEDRO
CC[NH+]=C(NC[C@]1(O)CCSC1)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1	ZINC000262333390	672772112	/nfs/dbraw/zinc/77/21/12/672772112.db2.gz	BIYGLQSCEKCJMH-CKEIUWERSA-N	1	0	356.536	1.057	20	30		FDEDRO
C[C@@H](NC(N[C@@H]1CCC(=O)N(C)C1)=[NH+]CC(=O)N(C)C)c1cccs1	ZINC000262337082	672772845	/nfs/dbraw/zinc/77/28/45/672772845.db2.gz	WKANRMRMGQKFMK-CHWSQXEVSA-N	1	0	365.503	1.053	20	30		FDEDRO
C[C@]1(CNC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)CCCC[C@@H]1O	ZINC000262401801	672783421	/nfs/dbraw/zinc/78/34/21/672783421.db2.gz	NXSRPIFXLOEVLF-JLJPHGGASA-N	1	0	357.520	1.060	20	30		FDEDRO
CC[C@H](C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCS[C@H](CC)C1	ZINC000262419220	672786471	/nfs/dbraw/zinc/78/64/71/672786471.db2.gz	QSBSTVLSCUEFLW-SOUVJXGZSA-N	1	0	361.577	1.993	20	30		FDEDRO
CCO[C@@H]1C[C@@H](NC(=[NH+]C)N2CCN(C(=O)C(C)C)CC2)C12CCC2	ZINC000262440608	672789920	/nfs/dbraw/zinc/78/99/20/672789920.db2.gz	UNZYOEGPVWAABZ-HZPDHXFCSA-N	1	0	350.507	1.710	20	30		FDEDRO
C[NH+]=C(NCc1nc(C(F)(F)F)cs1)NC[C@]1(O)CCSC1	ZINC000262444279	672790555	/nfs/dbraw/zinc/79/05/55/672790555.db2.gz	VBGPHXJGXNVVKV-LLVKDONJSA-N	1	0	354.423	1.695	20	30		FDEDRO
C=C(C)CNC(=[NH+]C[C@H]1CCS(=O)(=O)C1)N1CCSC(C)(C)C1	ZINC000262443543	672790572	/nfs/dbraw/zinc/79/05/72/672790572.db2.gz	UYXJBPLIYFEORN-CQSZACIVSA-N	1	0	359.561	1.770	20	30		FDEDRO
CS(=O)(=O)N1CC(C[NH+]=C(Nc2ccccc2)N2CCCCC2)C1	ZINC000262456787	672792971	/nfs/dbraw/zinc/79/29/71/672792971.db2.gz	UEHQRLYBCZXABA-UHFFFAOYSA-N	1	0	350.488	1.832	20	30		FDEDRO
C[NH+]=C(NCc1cc(F)ccc1SC)NC[C@H]1CCS(=O)(=O)C1	ZINC000262457661	672793147	/nfs/dbraw/zinc/79/31/47/672793147.db2.gz	XAQQVCOPOOXUIY-LLVKDONJSA-N	1	0	359.492	1.647	20	30		FDEDRO
CC[NH+]=C(NC[C@@](C)(O)c1ccco1)N1CCN(C(=O)C(C)C)CC1	ZINC000262467885	672794690	/nfs/dbraw/zinc/79/46/90/672794690.db2.gz	YOISJAPKNSHOSY-GOSISDBHSA-N	1	0	350.463	1.253	20	30		FDEDRO
C#CCNC(NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)=[NH+]C	ZINC000262632012	672822154	/nfs/dbraw/zinc/82/21/54/672822154.db2.gz	WWBFMDXMYJELAV-HNNXBMFYSA-N	1	0	362.499	1.405	20	30		FDEDRO
COc1cccc(NC(=[NH2+])NC[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c1	ZINC000262645444	672824594	/nfs/dbraw/zinc/82/45/94/672824594.db2.gz	IZCVVGOUEUGJSF-DOMZBBRYSA-N	1	0	354.476	1.530	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)NC[C@](C)(O)c1ccsc1	ZINC000262756639	672843065	/nfs/dbraw/zinc/84/30/65/672843065.db2.gz	DNQSRQOOPBIGBL-DYVFJYSZSA-N	1	0	362.503	1.283	20	30		FDEDRO
C[NH+]=C(NC[C@H](O)c1ccc(Cl)cc1)N[C@H]1CCCn2nc(C)nc21	ZINC000262777960	672847724	/nfs/dbraw/zinc/84/77/24/672847724.db2.gz	KCFBQCRDRZLLJY-GJZGRUSLSA-N	1	0	362.865	1.973	20	30		FDEDRO
[NH2+]=C(NCc1cnn(-c2ccc(Br)cc2)c1)N1CCOCC1	ZINC000262795319	672850664	/nfs/dbraw/zinc/85/06/64/672850664.db2.gz	PEZAXXRRPVEATI-UHFFFAOYSA-N	1	0	364.247	1.782	20	30		FDEDRO
C[NH+]=C(NC[C@]1(N(C)C)CCSC1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C	ZINC000262806855	672851334	/nfs/dbraw/zinc/85/13/34/672851334.db2.gz	SJPQRBPXRMULNV-LUXYFRNMSA-N	1	0	354.564	1.792	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NCc1cc(OC)c(OC)cc1Br	ZINC000264292627	672906818	/nfs/dbraw/zinc/90/68/18/672906818.db2.gz	PZDHLXBWPBWLNU-VIFPVBQESA-N	1	0	360.252	1.906	20	30		FDEDRO
CN1CC[C@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1=O	ZINC000265642863	672959244	/nfs/dbraw/zinc/95/92/44/672959244.db2.gz	KJFUXEXTLULROK-AWEZNQCLSA-N	1	0	360.483	1.990	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNS(=O)(=O)Cc2ccc(C#N)cc2)CCCO1	ZINC000289296962	676117422	/nfs/dbraw/zinc/11/74/22/676117422.db2.gz	YZGYBXIUBPMTNY-HNNXBMFYSA-N	1	0	351.472	1.479	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1	ZINC000289478440	676142292	/nfs/dbraw/zinc/14/22/92/676142292.db2.gz	NVMMXHXLEIESOZ-UONOGXRCSA-N	1	0	361.408	1.966	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1	ZINC000289494477	676144593	/nfs/dbraw/zinc/14/45/93/676144593.db2.gz	YPQOKMQYTYOWFV-UHFFFAOYSA-N	1	0	353.488	1.347	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)C1=O	ZINC000280915837	675469760	/nfs/dbraw/zinc/46/97/60/675469760.db2.gz	CTMVYLLZTVGQNV-BBRMVZONSA-N	1	0	351.472	1.374	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NCC1CC[NH+](Cc2ccccc2)CC1	ZINC000282325070	675622290	/nfs/dbraw/zinc/62/22/90/675622290.db2.gz	ANPYGNYMYUCNEN-INIZCTEOSA-N	1	0	364.515	1.967	20	30		FDEDRO
CO/N=C/c1ccc(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1	ZINC000282442582	675628871	/nfs/dbraw/zinc/62/88/71/675628871.db2.gz	GOBWLDJLLGOKFC-GGPGUOJZSA-N	1	0	358.364	1.233	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CCO[C@H](C)C1)C(C)C	ZINC000284084833	675671424	/nfs/dbraw/zinc/67/14/24/675671424.db2.gz	OSDMLAVSYHCNMA-IXDOHACOSA-N	1	0	351.491	1.485	20	30		FDEDRO
CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000292047646	676280833	/nfs/dbraw/zinc/28/08/33/676280833.db2.gz	AYEHLSYAOLKDRG-HZPDHXFCSA-N	1	0	364.471	1.078	20	30		FDEDRO
C#CC[N@@H+](C)CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)OC	ZINC000292725592	676307604	/nfs/dbraw/zinc/30/76/04/676307604.db2.gz	HUADOYSFLRUDKD-UHFFFAOYSA-N	1	0	370.431	1.144	20	30		FDEDRO
C[NH+](C)CCn1nccc1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1	ZINC000294247045	676379863	/nfs/dbraw/zinc/37/98/63/676379863.db2.gz	XUJBRXUSHCDJQK-UHFFFAOYSA-N	1	0	352.320	1.982	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCC(NC(=O)c2ccsc2)CC1	ZINC000296766764	676420679	/nfs/dbraw/zinc/42/06/79/676420679.db2.gz	GCACLBVZJORIJV-UHFFFAOYSA-N	1	0	362.499	1.607	20	30		FDEDRO
CN(C)S(=O)(=O)c1ccc(CNC(=[NH2+])NCCc2ccccc2)cc1	ZINC000303890285	676543807	/nfs/dbraw/zinc/54/38/07/676543807.db2.gz	PYUMHAOSVNZOAY-UHFFFAOYSA-N	1	0	360.483	1.584	20	30		FDEDRO
C[NH+]=C(NCCc1c[nH]c2ccc(Cl)cc12)NCCN1CCOCC1	ZINC000304727176	676544089	/nfs/dbraw/zinc/54/40/89/676544089.db2.gz	RSUAKCIXDODAKK-UHFFFAOYSA-N	1	0	363.893	1.861	20	30		FDEDRO
CCOc1ccc(Cl)cc1CCNC(NCCN1CCOCC1)=[NH+]C	ZINC000305300628	676545022	/nfs/dbraw/zinc/54/50/22/676545022.db2.gz	NBNQDTSLURPNSL-UHFFFAOYSA-N	1	0	368.909	1.778	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)cc1OC	ZINC000305772449	676545327	/nfs/dbraw/zinc/54/53/27/676545327.db2.gz	LAMXCNAASPGKIZ-OCCSQVGLSA-N	1	0	350.419	1.066	20	30		FDEDRO
C[C@H](NC(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)C1=CC[N@H+](C)CC1	ZINC000328707340	676603357	/nfs/dbraw/zinc/60/33/57/676603357.db2.gz	PZPDJBCRQPCFKV-BHYGNILZSA-N	1	0	351.491	1.708	20	30		FDEDRO
CCS(=O)(=O)N1CCC(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1	ZINC000328799513	676607445	/nfs/dbraw/zinc/60/74/45/676607445.db2.gz	HHAXAIIRGPUURA-MQVJKMGUSA-N	1	0	372.535	1.319	20	30		FDEDRO
CC(C)C(=O)Nc1nc(CC(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)cs1	ZINC000328936093	676612633	/nfs/dbraw/zinc/61/26/33/676612633.db2.gz	CNPWBVGLJAHUOE-KGLIPLIRSA-N	1	0	366.487	1.861	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2CCOC[C@@H]2[C@@H]2CCC[C@H]2OC)CC1	ZINC000328962081	676613943	/nfs/dbraw/zinc/61/39/43/676613943.db2.gz	KZXMCYCHVDZHLE-RCCFBDPRSA-N	1	0	353.507	1.943	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2OCCN(C(=O)CNC(=O)c3ccc(F)cc3F)[C@@H]2C1	ZINC000329042668	676617063	/nfs/dbraw/zinc/61/70/63/676617063.db2.gz	TYQRDJSTZOXOIV-CABCVRRESA-N	1	0	353.369	1.201	20	30		FDEDRO
C[C@H](CNC(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1)[N@H+](C)C1CC1	ZINC000329189144	676624005	/nfs/dbraw/zinc/62/40/05/676624005.db2.gz	BXIAREJYGHOPEQ-CABCVRRESA-N	1	0	351.495	1.653	20	30		FDEDRO
C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1	ZINC000329200115	676624860	/nfs/dbraw/zinc/62/48/60/676624860.db2.gz	BGTJEJRWUBPUEF-HUUCEWRRSA-N	1	0	372.535	1.321	20	30		FDEDRO
CS[C@@H]1CN(CC(=O)N[C@H](C)C(=O)N2CCCCC2)C[C@@H]1[NH+](C)C	ZINC000329216154	676625988	/nfs/dbraw/zinc/62/59/88/676625988.db2.gz	NZFZUQFHCKCJQL-QLFBSQMISA-N	1	0	356.536	1.321	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000329220374	676626172	/nfs/dbraw/zinc/62/61/72/676626172.db2.gz	BFWMZWXFSMUMEU-HZPDHXFCSA-N	1	0	351.495	1.117	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)CCCC1	ZINC000329222012	676626367	/nfs/dbraw/zinc/62/63/67/676626367.db2.gz	VQSKJEHIIWHGLN-PBHICJAKSA-N	1	0	373.519	1.101	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1	ZINC000329228354	676626946	/nfs/dbraw/zinc/62/69/46/676626946.db2.gz	IQJZPIIKKHVQDE-HUUCEWRRSA-N	1	0	372.535	1.321	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCO[C@@H](c2nccs2)C1	ZINC000329256632	676628973	/nfs/dbraw/zinc/62/89/73/676628973.db2.gz	AZHMPNIJAQQUEH-ZIAGYGMSSA-N	1	0	353.492	1.066	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000329266514	676629442	/nfs/dbraw/zinc/62/94/42/676629442.db2.gz	FPUJDBJZGNFFPQ-JKSUJKDBSA-N	1	0	351.495	1.655	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2sccc2-n2cnnn2)C1	ZINC000329282605	676630774	/nfs/dbraw/zinc/63/07/74/676630774.db2.gz	FJUCWYZEJCMNDI-LBPRGKRZSA-N	1	0	350.448	1.385	20	30		FDEDRO
CC[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H](C)S1(=O)=O	ZINC000329296312	676631798	/nfs/dbraw/zinc/63/17/98/676631798.db2.gz	STWNJPIMNPFXHO-HRCADAONSA-N	1	0	359.536	1.776	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CCC[C@@](F)(CO)C1	ZINC000329299310	676632042	/nfs/dbraw/zinc/63/20/42/676632042.db2.gz	UZECXTIDJJWNKJ-RYRKJORJSA-N	1	0	357.470	1.465	20	30		FDEDRO
Cn1nccc1[C@H]1[C@H](CNC(=O)N2C[C@H](F)C[C@@H]2CO)CCC[N@@H+]1C	ZINC000329339779	676633800	/nfs/dbraw/zinc/63/38/00/676633800.db2.gz	NXIQJWUXVAJPRZ-DSJMHWKBSA-N	1	0	353.442	1.122	20	30		FDEDRO
CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)N[C@@H](CO)C[NH+]1CCCCC1	ZINC000329362565	676635314	/nfs/dbraw/zinc/63/53/14/676635314.db2.gz	CXDASEZHAFXPME-ZIAGYGMSSA-N	1	0	357.520	1.737	20	30		FDEDRO
Cc1ccc(NC(=O)N2CC[NH+](C3CCC3)CC2)cc1S(N)(=O)=O	ZINC000329408073	676637538	/nfs/dbraw/zinc/63/75/38/676637538.db2.gz	CQJYIXHRSKSYQU-UHFFFAOYSA-N	1	0	352.460	1.358	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)C1CCN(C(=O)N2CCCC2)CC1	ZINC000329475586	676640268	/nfs/dbraw/zinc/64/02/68/676640268.db2.gz	NUAVSXCTTLTSPC-MRXNPFEDSA-N	1	0	351.495	1.117	20	30		FDEDRO
C[C@H](CNC(=O)N1CC[C@H](NC(=O)NC2CC2)C1)[N@@H+]1CCC[C@@H](C)C1	ZINC000329507894	676641729	/nfs/dbraw/zinc/64/17/29/676641729.db2.gz	JDDCVJFSRZJMIV-FMKPAKJESA-N	1	0	351.495	1.761	20	30		FDEDRO
CS(=O)(=O)N1CCC[C@@H](NC(=O)CC2([NH+]3CCOCC3)CCCC2)C1	ZINC000329766540	676654005	/nfs/dbraw/zinc/65/40/05/676654005.db2.gz	YHIMVPVYQYNJDI-OAHLLOKOSA-N	1	0	373.519	1.402	20	30		FDEDRO
CC(C)CC[NH+]1CCC(CNC(=O)N2CCS(=O)(=O)[C@@H](C)C2)CC1	ZINC000329802358	676657477	/nfs/dbraw/zinc/65/74/77/676657477.db2.gz	JFFZBPDRALPYCV-HNNXBMFYSA-N	1	0	359.536	1.777	20	30		FDEDRO
Cc1noc([C@H]2C[C@@H](O)CN2C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)n1	ZINC000329903450	676663191	/nfs/dbraw/zinc/66/31/91/676663191.db2.gz	IIXQAWRIIWTWIR-DDHJSBNISA-N	1	0	351.451	1.520	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)C12CCOCC2	ZINC000329925835	676663939	/nfs/dbraw/zinc/66/39/39/676663939.db2.gz	KDDMJGDNEYYTTO-LUKYLMHMSA-N	1	0	351.491	1.901	20	30		FDEDRO
Cn1ccnc1[C@@H]1CN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CCN1C	ZINC000329941528	676664763	/nfs/dbraw/zinc/66/47/63/676664763.db2.gz	CFDVPIGIJVOSKY-WMLDXEAASA-N	1	0	366.535	1.060	20	30		FDEDRO
O=C(NCC1([NH+]2CCSCC2)CCCC1)c1cn([C@@H]2CCOC2)nn1	ZINC000330038989	676669746	/nfs/dbraw/zinc/66/97/46/676669746.db2.gz	BTPZYUSYVSOIIE-CQSZACIVSA-N	1	0	365.503	1.906	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)N[C@H](C)c2nnc3n2CCCC3)CC1	ZINC000330152957	676675467	/nfs/dbraw/zinc/67/54/67/676675467.db2.gz	MJZBBMGZEACICS-CYBMUJFWSA-N	1	0	350.467	1.290	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N[C@@H]1CCOC2(CCC2)C1	ZINC000330208513	676678487	/nfs/dbraw/zinc/67/84/87/676678487.db2.gz	BCIDRVQLMNAPDJ-ZACQAIPSSA-N	1	0	351.491	1.970	20	30		FDEDRO
C[C@@H](CN1CCCC1=O)NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C	ZINC000330273249	676682321	/nfs/dbraw/zinc/68/23/21/676682321.db2.gz	YXEICOGSDIXPPF-LSDHHAIUSA-N	1	0	352.479	1.096	20	30		FDEDRO
O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CC[C@H](O)C12CCCC2	ZINC000330339934	676684799	/nfs/dbraw/zinc/68/47/99/676684799.db2.gz	XGWBZCHHUMDTRH-INIZCTEOSA-N	1	0	351.491	1.925	20	30		FDEDRO
COC(=O)[C@]1(C)C[N@@H+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)C[C@H]1C	ZINC000330372895	676685991	/nfs/dbraw/zinc/68/59/91/676685991.db2.gz	CFFLRGJIWIYGGT-JRKPZEMJSA-N	1	0	353.341	1.098	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1	ZINC000330376606	676686581	/nfs/dbraw/zinc/68/65/81/676686581.db2.gz	DPZAMHVKGDBEAQ-FUHWJXTLSA-N	1	0	364.515	1.967	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1	ZINC000330381956	676687427	/nfs/dbraw/zinc/68/74/27/676687427.db2.gz	WQCZFQSFDXKHFL-JFIYKMOQSA-N	1	0	364.515	1.965	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1	ZINC000330381965	676687475	/nfs/dbraw/zinc/68/74/75/676687475.db2.gz	WQCZFQSFDXKHFL-NUJGCVRESA-N	1	0	364.515	1.965	20	30		FDEDRO
C[NH+](C)Cc1ccc(CNC(=O)N[C@H]2CCC(=O)NC2(C)C)cc1F	ZINC000330441374	676690754	/nfs/dbraw/zinc/69/07/54/676690754.db2.gz	QGMYSYFGKMGUJB-HNNXBMFYSA-N	1	0	350.438	1.948	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCCNC(=O)c2coc(S(=O)(=O)N(C)C)c2)C[C@H](C)O1	ZINC000330470986	676692192	/nfs/dbraw/zinc/69/21/92/676692192.db2.gz	BPIPAEYYMTZMLD-BETUJISGSA-N	1	0	373.475	1.334	20	30		FDEDRO
CC[NH+](CC)C[C@H](C)NC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1	ZINC000330478201	676692712	/nfs/dbraw/zinc/69/27/12/676692712.db2.gz	XICASVCMEKZYHN-HOTGVXAUSA-N	1	0	354.495	1.202	20	30		FDEDRO
CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCCCS(C)(=O)=O)C2)CC1	ZINC000330689668	676700753	/nfs/dbraw/zinc/70/07/53/676700753.db2.gz	ADALEYHZUJYVEO-INIZCTEOSA-N	1	0	359.536	1.779	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1	ZINC000330727109	676702223	/nfs/dbraw/zinc/70/22/23/676702223.db2.gz	GAQBWNZOOKSULE-CABCVRRESA-N	1	0	360.524	1.225	20	30		FDEDRO
CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O	ZINC000330736734	676702649	/nfs/dbraw/zinc/70/26/49/676702649.db2.gz	NOCCFKAQIXSLJX-BZUAXINKSA-N	1	0	374.551	1.615	20	30		FDEDRO
C[C@H](COc1cccc(F)c1)NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1	ZINC000330854291	676706666	/nfs/dbraw/zinc/70/66/66/676706666.db2.gz	OVIQVQHIUVXIQI-ILXRZTDVSA-N	1	0	353.438	1.894	20	30		FDEDRO
C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1ncccc1S(C)(=O)=O	ZINC000331124595	676717689	/nfs/dbraw/zinc/71/76/89/676717689.db2.gz	CSDLXJRWKCNQHG-TZMCWYRMSA-N	1	0	354.476	1.171	20	30		FDEDRO
CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)C1	ZINC000331137812	676718371	/nfs/dbraw/zinc/71/83/71/676718371.db2.gz	DFWRLJWEGCHPKP-ARFHVFGLSA-N	1	0	359.536	1.920	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(S(C)(=O)=O)nc2)C[C@@H]1C	ZINC000331144229	676718541	/nfs/dbraw/zinc/71/85/41/676718541.db2.gz	GHEMSLXAXHQROJ-JSGCOSHPSA-N	1	0	354.476	1.835	20	30		FDEDRO
CC[NH+](CC)[C@@H]1CCN(C(=O)NC2CCN(S(=O)(=O)C(C)C)CC2)C1	ZINC000331289009	676725909	/nfs/dbraw/zinc/72/59/09/676725909.db2.gz	OMCGOXNCVAIJJR-MRXNPFEDSA-N	1	0	374.551	1.519	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)CC1	ZINC000332383626	676741074	/nfs/dbraw/zinc/74/10/74/676741074.db2.gz	YFMXBAZOCLLOJL-SJORKVTESA-N	1	0	350.507	1.162	20	30		FDEDRO
CS[C@@H]1CN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C[C@H]1[NH+]1CCCC1	ZINC000332396857	676741281	/nfs/dbraw/zinc/74/12/81/676741281.db2.gz	TXZGCUJDTABENC-KONPQCLYSA-N	1	0	352.548	1.941	20	30		FDEDRO
CC[C@H](CNS(=O)(=O)N(C)[C@H](C)CC#N)[N@@H+]1CCc2ccccc2C1	ZINC000332669922	676743862	/nfs/dbraw/zinc/74/38/62/676743862.db2.gz	HNQWUGLZUGVSKO-CRAIPNDOSA-N	1	0	364.515	1.892	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1	ZINC000332691437	676744440	/nfs/dbraw/zinc/74/44/40/676744440.db2.gz	SQSGFYVHWUEOLV-RYRKJORJSA-N	1	0	351.491	1.862	20	30		FDEDRO
C#CC[C@@H](C)[NH2+]C1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1	ZINC000361053388	676882469	/nfs/dbraw/zinc/88/24/69/676882469.db2.gz	QRZPSVAVXURJLU-CQSZACIVSA-N	1	0	363.483	1.800	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1Cl	ZINC000363107905	676935460	/nfs/dbraw/zinc/93/54/60/676935460.db2.gz	OABDMCSEFUOPJX-KBPBESRZSA-N	1	0	362.817	1.130	20	30		FDEDRO
C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NCC(C)(C)CC#N)C1	ZINC000422267720	680702782	/nfs/dbraw/zinc/70/27/82/680702782.db2.gz	YDPODGWCPZSNAX-GASCZTMLSA-N	1	0	350.507	1.915	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCc3cccc(Cl)c3C2)CC1	ZINC000422301957	680706287	/nfs/dbraw/zinc/70/62/87/680706287.db2.gz	XIHQSSPEMMGNAB-UHFFFAOYSA-N	1	0	361.873	1.991	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)CN[C@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C	ZINC000369965233	677531891	/nfs/dbraw/zinc/53/18/91/677531891.db2.gz	WZAFFHGRULJRRO-DFEOGRTESA-N	1	0	350.507	1.520	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1	ZINC000370293827	677561836	/nfs/dbraw/zinc/56/18/36/677561836.db2.gz	JFRNOTKITLUFIG-VNHYZAJKSA-N	1	0	356.517	1.667	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1	ZINC000371734660	677768531	/nfs/dbraw/zinc/76/85/31/677768531.db2.gz	OROHMDKNPZHVHB-GOEBONIOSA-N	1	0	355.504	1.246	20	30		FDEDRO
CN1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)C[C@H]1C#N	ZINC000372140525	677849483	/nfs/dbraw/zinc/84/94/83/677849483.db2.gz	PAPILAFDCSPXKG-ZMSDIMECSA-N	1	0	361.515	1.980	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1	ZINC000422555866	680741064	/nfs/dbraw/zinc/74/10/64/680741064.db2.gz	REOVNXKAUQXYEH-LZWOXQAQSA-N	1	0	365.499	1.596	20	30		FDEDRO
C#CCC1(C(=O)N2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)CCCCC1	ZINC000373763711	678066739	/nfs/dbraw/zinc/06/67/39/678066739.db2.gz	UVFVUHGADOKZEH-QGZVFWFLSA-N	1	0	366.527	1.728	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N(C)C1CCN(c2cc[nH+]cc2)CC1	ZINC000374411448	678078591	/nfs/dbraw/zinc/07/85/91/678078591.db2.gz	ZJSQNHANDBDMEG-AWEZNQCLSA-N	1	0	351.476	1.318	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1	ZINC000374416650	678078920	/nfs/dbraw/zinc/07/89/20/678078920.db2.gz	RUHSYVOPVHDLNY-BFYDXBDKSA-N	1	0	354.520	1.661	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)CCC(C)(C)C#N)CC1	ZINC000377860473	678633994	/nfs/dbraw/zinc/63/39/94/678633994.db2.gz	MUMVZAXYNQIHTQ-MRXNPFEDSA-N	1	0	356.536	1.358	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]C[C@]1(N2CCOCC2)CCCOC1	ZINC000378155760	678706310	/nfs/dbraw/zinc/70/63/10/678706310.db2.gz	SKZXDSVTNJLYQG-IEBWSBKVSA-N	1	0	353.507	1.271	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1	ZINC000409569251	678861922	/nfs/dbraw/zinc/86/19/22/678861922.db2.gz	DHPKIWLQWLEEMY-WBVHZDCISA-N	1	0	350.488	1.892	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000410407503	678893628	/nfs/dbraw/zinc/89/36/28/678893628.db2.gz	OVZHOOLDJLFDNY-KRWDZBQOSA-N	1	0	350.488	1.578	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1	ZINC000410409098	678894050	/nfs/dbraw/zinc/89/40/50/678894050.db2.gz	QSOHJCKCMYFKHC-HDICACEKSA-N	1	0	362.499	1.531	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N(C)CCN1CCOC(C)(C)C1	ZINC000410637463	678930035	/nfs/dbraw/zinc/93/00/35/678930035.db2.gz	CEIIJMGHCVSQAF-UHFFFAOYSA-N	1	0	353.507	1.760	20	30		FDEDRO
Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H]([NH3+])CCCC#N	ZINC000424073410	680828528	/nfs/dbraw/zinc/82/85/28/680828528.db2.gz	FMJBYQYKUJELTN-GFCCVEGCSA-N	1	0	367.247	1.833	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1	ZINC000424097281	680829616	/nfs/dbraw/zinc/82/96/16/680829616.db2.gz	JMBHVUMMUFKZFA-INIZCTEOSA-N	1	0	362.861	1.574	20	30		FDEDRO
C[C@@H]1CN(Cc2csc(NC(=O)[C@H]([NH3+])CCCC#N)n2)C[C@H](C)O1	ZINC000424132533	680830365	/nfs/dbraw/zinc/83/03/65/680830365.db2.gz	KVPVNYBFFIZRBS-MBNYWOFBSA-N	1	0	351.476	1.712	20	30		FDEDRO
CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)[C@@H]([NH3+])CCCC#N	ZINC000424141143	680830785	/nfs/dbraw/zinc/83/07/85/680830785.db2.gz	GVQZOFMIHHNHGA-GJZGRUSLSA-N	1	0	350.488	1.601	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O	ZINC000424164183	680831084	/nfs/dbraw/zinc/83/10/84/680831084.db2.gz	BWUNKOXQXJDFJZ-UONOGXRCSA-N	1	0	352.797	1.722	20	30		FDEDRO
CN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H](C(N)=O)c1cccc(Br)c1	ZINC000424168695	680831241	/nfs/dbraw/zinc/83/12/41/680831241.db2.gz	IRZLILDYWVVBTE-QWHCGFSZSA-N	1	0	367.247	1.455	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1	ZINC000414896588	679373113	/nfs/dbraw/zinc/37/31/13/679373113.db2.gz	PNUMPYGOZHJJLN-ZFWWWQNUSA-N	1	0	366.487	1.755	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC2(C)CC[NH2+]CC2)cc1	ZINC000414897220	679373124	/nfs/dbraw/zinc/37/31/24/679373124.db2.gz	QQZMDZLXDZHRFN-UHFFFAOYSA-N	1	0	366.487	1.757	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1	ZINC000414896732	679373162	/nfs/dbraw/zinc/37/31/62/679373162.db2.gz	PTOJMJPPRBFSON-KGLIPLIRSA-N	1	0	366.487	1.707	20	30		FDEDRO
N#Cc1ccc(CSc2nnc(NC(=O)N3CC[C@H]([NH3+])C3)s2)cc1	ZINC000414906147	679373657	/nfs/dbraw/zinc/37/36/57/679373657.db2.gz	BXSSVXSUDSUUEL-LBPRGKRZSA-N	1	0	360.468	2.267	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000415320376	679408006	/nfs/dbraw/zinc/40/80/06/679408006.db2.gz	VWURXNOJPOQKRQ-AWEZNQCLSA-N	1	0	355.364	1.824	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1	ZINC000415459703	679434361	/nfs/dbraw/zinc/43/43/61/679434361.db2.gz	MOYYYKLLLKHOAL-BXUZGUMPSA-N	1	0	358.833	2.517	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)N[C@@H](C)[C@H](C)[NH3+])c(C#N)cn1CCOC	ZINC000415496709	679440021	/nfs/dbraw/zinc/44/00/21/679440021.db2.gz	SGJRFDXBJMAKAB-QWRGUYRKSA-N	1	0	351.407	1.040	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C)C[NH3+]	ZINC000415594251	679460703	/nfs/dbraw/zinc/46/07/03/679460703.db2.gz	FYTXTLQAJSHTFK-SECBINFHSA-N	1	0	356.220	1.416	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1	ZINC000415605327	679463593	/nfs/dbraw/zinc/46/35/93/679463593.db2.gz	XDALHUKZSXOGIL-PBFPGSCMSA-N	1	0	364.471	1.821	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1	ZINC000415820083	679514329	/nfs/dbraw/zinc/51/43/29/679514329.db2.gz	KJLTTYOMPATXJM-KBPBESRZSA-N	1	0	360.845	1.998	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C[C@H]1[NH3+]	ZINC000415831920	679518650	/nfs/dbraw/zinc/51/86/50/679518650.db2.gz	GGSWDTZUKMCMNQ-PRHODGIISA-N	1	0	351.204	1.065	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)ccc1Br	ZINC000415860610	679528487	/nfs/dbraw/zinc/52/84/87/679528487.db2.gz	COTKWDHBNXDVOW-GFCCVEGCSA-N	1	0	365.231	1.518	20	30		FDEDRO
N#Cc1cccc([C@@H]2CN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CCO2)c1	ZINC000416002381	679542498	/nfs/dbraw/zinc/54/24/98/679542498.db2.gz	DSGVOAPMLYRRLQ-KBPBESRZSA-N	1	0	356.348	1.921	20	30		FDEDRO
C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1CC(=O)Nc1cc(Cl)ccc1C#N	ZINC000419341727	680240022	/nfs/dbraw/zinc/24/00/22/680240022.db2.gz	OSQFQQKOBGJHOG-QWHCGFSZSA-N	1	0	350.850	1.537	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)c1ccc(F)c(F)c1	ZINC000419686124	680320643	/nfs/dbraw/zinc/32/06/43/680320643.db2.gz	YMKSHYNESRYZCN-HSMVNMDESA-N	1	0	351.397	1.907	20	30		FDEDRO
CN(C1(C[NH3+])CCC1)S(=O)(=O)c1cccc(Br)c1C#N	ZINC000420447562	680455823	/nfs/dbraw/zinc/45/58/23/680455823.db2.gz	QDPCJKOFSZACAG-UHFFFAOYSA-N	1	0	358.261	1.823	20	30		FDEDRO
C[C@H]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)C[C@H]1C[NH3+]	ZINC000420473096	680466890	/nfs/dbraw/zinc/46/68/90/680466890.db2.gz	CTVGUGPRRZHKGE-WDEREUQCSA-N	1	0	372.288	1.926	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1	ZINC000422020017	680685467	/nfs/dbraw/zinc/68/54/67/680685467.db2.gz	KYLHWNIOPUEWDL-OAHLLOKOSA-N	1	0	351.472	1.317	20	30		FDEDRO
C=CCn1cc(CNC(=O)N2CC[C@@H](OCC[NH+](CC)CC)C2)nn1	ZINC000425568501	680910367	/nfs/dbraw/zinc/91/03/67/680910367.db2.gz	WBIAWGAAIJVLMP-MRXNPFEDSA-N	1	0	350.467	1.106	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N(C)C1CC[NH+](CCC)CC1	ZINC000430374603	681073747	/nfs/dbraw/zinc/07/37/47/681073747.db2.gz	APIVCTHXEDAKLJ-DOTOQJQBSA-N	1	0	351.491	1.417	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCC[NH+]2CCCC2)cc1Br	ZINC000432947009	681170179	/nfs/dbraw/zinc/17/01/79/681170179.db2.gz	ZDGPSZLPDCIGFM-UHFFFAOYSA-N	1	0	358.261	1.695	20	30		FDEDRO
CCOC(=O)[C@@]1(COC)CCC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1	ZINC000439469220	681930298	/nfs/dbraw/zinc/93/02/98/681930298.db2.gz	MHRLCLLZSNXWLV-YOEHRIQHSA-N	1	0	351.447	1.229	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1	ZINC000440416625	681996862	/nfs/dbraw/zinc/99/68/62/681996862.db2.gz	ARLBOOLXAWAMRD-UKRRQHHQSA-N	1	0	351.472	1.350	20	30		FDEDRO
Cn1cc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)cc1C#N	ZINC000441350948	682071279	/nfs/dbraw/zinc/07/12/79/682071279.db2.gz	BRAFCLFUJJOBTO-UHFFFAOYSA-N	1	0	354.382	1.243	20	30		FDEDRO
Cn1cc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)cc1C#N	ZINC000441353288	682071524	/nfs/dbraw/zinc/07/15/24/682071524.db2.gz	MHQYJNQJURHNFH-UHFFFAOYSA-N	1	0	370.837	1.757	20	30		FDEDRO
C[NH+](C)CCOC1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1	ZINC000443251958	682262049	/nfs/dbraw/zinc/26/20/49/682262049.db2.gz	QQMNOOCHFUOEMU-UHFFFAOYSA-N	1	0	355.435	1.429	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCC2)c1	ZINC000447247836	682539836	/nfs/dbraw/zinc/53/98/36/682539836.db2.gz	SEXFYWNHLHEEQN-INIZCTEOSA-N	1	0	351.472	1.398	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)CC(C)(C)CC#N	ZINC000451147768	682827734	/nfs/dbraw/zinc/82/77/34/682827734.db2.gz	SLGRUTBBJAXMHO-MRXNPFEDSA-N	1	0	358.552	1.604	20	30		FDEDRO
CC[C@H](CO)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC	ZINC000451152918	682829195	/nfs/dbraw/zinc/82/91/95/682829195.db2.gz	DEQBAIRYPFVNML-OAHLLOKOSA-N	1	0	350.463	1.654	20	30		FDEDRO
CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCS(=O)(=O)c1cccc(C#N)c1	ZINC000451773563	682935327	/nfs/dbraw/zinc/93/53/27/682935327.db2.gz	COEATHYWUBCZMV-CVEARBPZSA-N	1	0	350.440	1.653	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cnc(C#N)c(Cl)c2)C1	ZINC000453711894	683193127	/nfs/dbraw/zinc/19/31/27/683193127.db2.gz	GTFSZUHDJZJARH-XHDPSFHLSA-N	1	0	361.833	1.488	20	30		FDEDRO
C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3ccc(CC#N)cc3Cl)C2)C1	ZINC000453763082	683208348	/nfs/dbraw/zinc/20/83/48/683208348.db2.gz	NFCNPBCDSJZTQK-GOSISDBHSA-N	1	0	360.845	1.899	20	30		FDEDRO
N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c1	ZINC000453819118	683220965	/nfs/dbraw/zinc/22/09/65/683220965.db2.gz	MGCAUOCHXALBAE-CYBMUJFWSA-N	1	0	364.833	1.113	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1	ZINC000457077440	683713099	/nfs/dbraw/zinc/71/30/99/683713099.db2.gz	CPIDCOHLPNMBDD-INIZCTEOSA-N	1	0	365.499	1.706	20	30		FDEDRO
C=CCC[C@H](CO)NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	ZINC000458535032	684281282	/nfs/dbraw/zinc/28/12/82/684281282.db2.gz	RNKBNBIJYNXRLZ-QGZVFWFLSA-N	1	0	353.507	1.895	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000459043153	684360870	/nfs/dbraw/zinc/36/08/70/684360870.db2.gz	OLQNFWAIQZEDKP-BDXSIMOUSA-N	1	0	350.507	1.387	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NCCC2CC[NH+](C)CC2)c1	ZINC000462263234	684623548	/nfs/dbraw/zinc/62/35/48/684623548.db2.gz	NVVVAZFNAAMWGS-UHFFFAOYSA-N	1	0	365.499	1.613	20	30		FDEDRO
CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)c1	ZINC000469793603	684986693	/nfs/dbraw/zinc/98/66/93/684986693.db2.gz	HJPZOGBOUNPVLV-OLZOCXBDSA-N	1	0	364.471	1.196	20	30		FDEDRO
C[NH+](C)CCOC1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1	ZINC000476333999	685710071	/nfs/dbraw/zinc/71/00/71/685710071.db2.gz	PCHHQZZTWXDAIO-UHFFFAOYSA-N	1	0	371.890	1.943	20	30		FDEDRO
N#CC1(CS(=O)(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CCC1	ZINC000477471605	685856696	/nfs/dbraw/zinc/85/66/96/685856696.db2.gz	CFGAKRBQQZVQOL-UHFFFAOYSA-N	1	0	369.531	1.834	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1	ZINC000481021721	686281804	/nfs/dbraw/zinc/28/18/04/686281804.db2.gz	XZGROIUREHPYDD-GASCZTMLSA-N	1	0	355.548	1.895	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1	ZINC000481738351	686359148	/nfs/dbraw/zinc/35/91/48/686359148.db2.gz	JFNOEXFCFAMNQA-NXOAAHMSSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CCOC[C@H](NCc1nc2c(s1)C[N@@H+](C(C)C)CC2)C(=O)OC	ZINC000482459140	686407787	/nfs/dbraw/zinc/40/77/87/686407787.db2.gz	VJPKCXAPQZSVCC-AWEZNQCLSA-N	1	0	353.488	1.743	20	30		FDEDRO
C[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000488791778	687059387	/nfs/dbraw/zinc/05/93/87/687059387.db2.gz	ZPAJSQPPWRHUEO-HIFRSBDPSA-N	1	0	354.372	1.876	20	30		FDEDRO
Cc1ncc(S(=O)(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cc1C#N	ZINC000489018797	687072118	/nfs/dbraw/zinc/07/21/18/687072118.db2.gz	HDYLKTAKYWXRBG-QGZVFWFLSA-N	1	0	358.467	1.713	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1	ZINC000496284272	687646849	/nfs/dbraw/zinc/64/68/49/687646849.db2.gz	NOWJKZWMJMCLTK-QGZVFWFLSA-N	1	0	351.491	1.561	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1)[C@H]1CCSC1	ZINC000500720401	688128907	/nfs/dbraw/zinc/12/89/07/688128907.db2.gz	LJMLRCGYNDPQEI-ROUUACIJSA-N	1	0	358.511	1.833	20	30		FDEDRO
CS[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C[C@@H]1[NH+](C)C	ZINC000507092003	688612922	/nfs/dbraw/zinc/61/29/22/688612922.db2.gz	XWVRVVDURLRWAZ-AHIWAGSCSA-N	1	0	355.504	1.752	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N(CCCc1ccccc1)CC[NH+](C)C	ZINC000510098274	689347129	/nfs/dbraw/zinc/34/71/29/689347129.db2.gz	KCSIXAAINKFOBA-KRWDZBQOSA-N	1	0	366.531	1.962	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2sccc2C#N)C1	ZINC000511944070	689568484	/nfs/dbraw/zinc/56/84/84/689568484.db2.gz	PJUIOYHBGVEGRD-CYBMUJFWSA-N	1	0	350.444	1.031	20	30		FDEDRO
C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C)C(=O)NC(N)=O	ZINC000514874389	689781637	/nfs/dbraw/zinc/78/16/37/689781637.db2.gz	XSDFRRXSYSXNQM-LBPRGKRZSA-N	1	0	366.491	1.168	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000516890364	690005814	/nfs/dbraw/zinc/00/58/14/690005814.db2.gz	ZZUCOGCMLMZSSC-UHFFFAOYSA-N	1	0	372.922	1.716	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)CC1	ZINC000517304623	690054268	/nfs/dbraw/zinc/05/42/68/690054268.db2.gz	RSHVEMSKPAXFHX-UHFFFAOYSA-N	1	0	360.483	1.841	20	30		FDEDRO
Cc1nc(SCC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c(C#N)c(C)c1C	ZINC000518964411	690171791	/nfs/dbraw/zinc/17/17/91/690171791.db2.gz	RAIMCZXJBVTIOW-OAHLLOKOSA-N	1	0	361.515	1.333	20	30		FDEDRO
CC[NH+](CC)C[C@@H](C)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000519062363	690182259	/nfs/dbraw/zinc/18/22/59/690182259.db2.gz	NUZVTTYVNXZUCN-CQSZACIVSA-N	1	0	351.472	1.320	20	30		FDEDRO
C=CCOc1ccccc1C[NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1	ZINC000521172503	690389932	/nfs/dbraw/zinc/38/99/32/690389932.db2.gz	URQCEZVOQSWLTK-QGZVFWFLSA-N	1	0	368.499	1.830	20	30		FDEDRO
CC(C)C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CCO1	ZINC000521865096	694442462	/nfs/dbraw/zinc/44/24/62/694442462.db2.gz	PGLMMQGBCQQUAX-JKSUJKDBSA-N	1	0	351.472	1.910	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCC[N@H+]2CC[C@H](C)C2)c1	ZINC000525291871	694603952	/nfs/dbraw/zinc/60/39/52/694603952.db2.gz	GDBVNCAIZINSLV-AWEZNQCLSA-N	1	0	351.472	1.223	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1	ZINC000525680785	694634051	/nfs/dbraw/zinc/63/40/51/694634051.db2.gz	ZMJFBMGKOUTOCU-OAHLLOKOSA-N	1	0	360.845	1.797	20	30		FDEDRO
CS(=O)(=O)[C@H]1CCCCN(C[C@H](O)COc2ccccc2C#N)C1	ZINC000528479399	694721693	/nfs/dbraw/zinc/72/16/93/694721693.db2.gz	WZVWORCLZJOITN-HOTGVXAUSA-N	1	0	352.456	1.197	20	30		FDEDRO
C[NH+](C)C1CCN(CCNS(=O)(=O)c2ccc(C#N)cc2F)CC1	ZINC000531141966	694822279	/nfs/dbraw/zinc/82/22/79/694822279.db2.gz	HVQZGXDBAMGEHR-UHFFFAOYSA-N	1	0	354.451	1.002	20	30		FDEDRO
O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCC[N@H+]1CC[C@@H](O)C1	ZINC000636518484	695163808	/nfs/dbraw/zinc/16/38/08/695163808.db2.gz	SEEAIHPNNOYDGI-OAHLLOKOSA-N	1	0	355.360	1.423	20	30		FDEDRO
Cn1nnc2c1CCN(c1ncccc1C#N)[C@H]2COCC[NH+]1CCCC1	ZINC001164712338	720167387	/nfs/dbraw/zinc/16/73/87/720167387.db2.gz	FSZFDQXFIMSVLA-KRWDZBQOSA-N	1	0	367.457	1.298	20	30		FDEDRO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cnc(C#N)cn2)CC1	ZINC001164819649	720300190	/nfs/dbraw/zinc/30/01/90/720300190.db2.gz	FKYIYZGBWPQOOV-IAGOWNOFSA-N	1	0	354.458	1.260	20	30		FDEDRO
N#Cc1cnc(Cl)nc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1	ZINC001164733475	720556501	/nfs/dbraw/zinc/55/65/01/720556501.db2.gz	NVDROFKYTYYERX-UHFFFAOYSA-N	1	0	357.849	1.857	20	30		FDEDRO
N#Cc1c(Cl)ncnc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164743779	720648689	/nfs/dbraw/zinc/64/86/89/720648689.db2.gz	QQANACCCEOASMA-NEPJUHHUSA-N	1	0	357.805	1.134	20	30		FDEDRO
N#Cc1c(Cl)ccnc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164739165	720655110	/nfs/dbraw/zinc/65/51/10/720655110.db2.gz	FURBQVMQPNNMCN-CHWSQXEVSA-N	1	0	356.817	1.739	20	30		FDEDRO
COc1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)ncc1C#N	ZINC001164867933	721044955	/nfs/dbraw/zinc/04/49/55/721044955.db2.gz	LAFCSDFSKCPDFC-ZWKOTPCHSA-N	1	0	365.437	1.837	20	30		FDEDRO
N#Cc1ccnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1F	ZINC001164864971	721087607	/nfs/dbraw/zinc/08/76/07/721087607.db2.gz	HUMLHJUPRLDUAK-IRXDYDNUSA-N	1	0	353.401	1.967	20	30		FDEDRO
COc1cc(C#N)nc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c1	ZINC001165010147	721738536	/nfs/dbraw/zinc/73/85/36/721738536.db2.gz	CFMPFRULLGGASO-UHFFFAOYSA-N	1	0	357.458	1.485	20	30		FDEDRO
CSc1nc(Cl)c(C#N)c(N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)n1	ZINC001164922577	721847334	/nfs/dbraw/zinc/84/73/34/721847334.db2.gz	RDKVSDKGQURIBP-CHWSQXEVSA-N	1	0	366.922	1.938	20	30		FDEDRO
N#Cc1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)cn1	ZINC001164958954	722053668	/nfs/dbraw/zinc/05/36/68/722053668.db2.gz	IENKJLOHZKKCCB-UHFFFAOYSA-N	1	0	364.453	1.862	20	30		FDEDRO
Cc1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cnc1C#N	ZINC001164979707	722135961	/nfs/dbraw/zinc/13/59/61/722135961.db2.gz	LUVFSCLWMFGCGK-MJGOQNOKSA-N	1	0	364.453	1.779	20	30		FDEDRO
COc1ccnc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c1C#N	ZINC001164999889	722252470	/nfs/dbraw/zinc/25/24/70/722252470.db2.gz	IFWBWJVTVLKRIL-UHFFFAOYSA-N	1	0	370.457	1.647	20	30		FDEDRO
C=CCCn1cc(C[NH2+][C@H](Cc2ccccc2)CN2CCOCC2)nn1	ZINC000657357533	782201830	/nfs/dbraw/zinc/20/18/30/782201830.db2.gz	XQXVRWYOSDNLNU-LJQANCHMSA-N	1	0	355.486	1.887	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@@H]3C2)c1	ZINC000978558754	805594905	/nfs/dbraw/zinc/59/49/05/805594905.db2.gz	OOLVURKACUYMSD-HPMTWDQNSA-N	1	0	363.461	1.776	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3csc(COC)n3)[C@H]2C1	ZINC001083243879	782517153	/nfs/dbraw/zinc/51/71/53/782517153.db2.gz	YTRISSUKTUYQPH-JKSUJKDBSA-N	1	0	365.499	1.710	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1	ZINC001022717562	782554848	/nfs/dbraw/zinc/55/48/48/782554848.db2.gz	DOKQFYHUOTVJBN-JENIJYKNSA-N	1	0	370.497	1.831	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC(F)F)C2	ZINC001112470536	769148963	/nfs/dbraw/zinc/14/89/63/769148963.db2.gz	MFNZRCZCWCFJAG-GLJUWKHASA-N	1	0	355.429	1.388	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC001020406928	769186438	/nfs/dbraw/zinc/18/64/38/769186438.db2.gz	GINIRMNPCWEQEL-NMTFTXLRSA-N	1	0	355.413	1.858	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1ncc3cc(C)cnc31)C2	ZINC001112473057	769483410	/nfs/dbraw/zinc/48/34/10/769483410.db2.gz	VILAUTYSKTVKOV-RXVVDRJESA-N	1	0	365.481	1.981	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(F)c[nH]1)C2	ZINC001112475522	769909120	/nfs/dbraw/zinc/90/91/20/769909120.db2.gz	JVELLRFPTKPTDE-TYILLQQXSA-N	1	0	362.449	1.676	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCO[C@@H]3C[N@H+](CCc4cccs4)C[C@@H]32)c1	ZINC001083188302	769981828	/nfs/dbraw/zinc/98/18/28/769981828.db2.gz	OGLGTOXNGXSTFR-RBUKOAKNSA-N	1	0	367.474	1.892	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1C	ZINC001104224209	770005458	/nfs/dbraw/zinc/00/54/58/770005458.db2.gz	LXKSJWBQSFIFJY-NVXWUHKLSA-N	1	0	359.474	1.465	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C(=O)NC)c2)C1	ZINC001022737092	782799936	/nfs/dbraw/zinc/79/99/36/782799936.db2.gz	OCOZZUZLUFLLRY-XDNAFOTISA-N	1	0	357.454	1.374	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C	ZINC001067430727	770045574	/nfs/dbraw/zinc/04/55/74/770045574.db2.gz	ZNUMUCNBBKWXBT-KURKYZTESA-N	1	0	365.518	1.757	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c(F)c1	ZINC000969397282	770081290	/nfs/dbraw/zinc/08/12/90/770081290.db2.gz	KKBRIYUOKVZOMC-OMWFQVSUSA-N	1	0	355.413	1.811	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1C	ZINC001020507256	770118832	/nfs/dbraw/zinc/11/88/32/770118832.db2.gz	MVEQFQNHEXFQIW-WJWMFLMHSA-N	1	0	363.502	1.413	20	30		FDEDRO
C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(Cc2cc(C#N)ccc2F)C1	ZINC000969704130	770703358	/nfs/dbraw/zinc/70/33/58/770703358.db2.gz	LOQBNTUGZWWPMH-PMUMKWKESA-N	1	0	358.461	1.974	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1CCOC	ZINC000890662450	771005502	/nfs/dbraw/zinc/00/55/02/771005502.db2.gz	FMHXHEKZCLKYFD-OAHLLOKOSA-N	1	0	355.479	1.589	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@@H](O)C1	ZINC000969901227	771053966	/nfs/dbraw/zinc/05/39/66/771053966.db2.gz	YACQCRORONBXBW-OAGGEKHMSA-N	1	0	351.491	1.009	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cnc(C(F)(F)F)nc2)C1	ZINC000970016556	771195197	/nfs/dbraw/zinc/19/51/97/771195197.db2.gz	BKRYKPRBVLCVCA-MCIONIFRSA-N	1	0	370.375	1.777	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C1	ZINC000970015128	771202972	/nfs/dbraw/zinc/20/29/72/771202972.db2.gz	PBNYQSYXVQALHH-QRQLOZEOSA-N	1	0	355.438	1.871	20	30		FDEDRO
Cn1cc([C@@H]2C[C@H]2C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)cn1	ZINC001022749264	782905579	/nfs/dbraw/zinc/90/55/79/782905579.db2.gz	AKRAXVUUTLUXTB-XWTMOSNGSA-N	1	0	367.428	1.971	20	30		FDEDRO
Cn1cc([C@@H]2C[C@H]2C(=O)N2CC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)cn1	ZINC000970039161	771247482	/nfs/dbraw/zinc/24/74/82/771247482.db2.gz	AKBBUSHLVROTRF-XOKHGSTOSA-N	1	0	355.467	1.847	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCN(C(C)(C)C)C2=O)C1	ZINC001020726403	771303775	/nfs/dbraw/zinc/30/37/75/771303775.db2.gz	JRPSIULMPUEVDA-WOYTXXSLSA-N	1	0	363.502	1.604	20	30		FDEDRO
C[C@H](C(=O)N[C@@H]1c2ccccc2CC[C@@H]1[NH+]1CCCC1)n1cnc(C#N)n1	ZINC000892264501	782917248	/nfs/dbraw/zinc/91/72/48/782917248.db2.gz	DSCKGDYORVQOIM-DKSSEZFCSA-N	1	0	364.453	1.979	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC(N)=O)C1	ZINC001104231546	771430888	/nfs/dbraw/zinc/43/08/88/771430888.db2.gz	FWNNJWSXYFLPSE-IIAWOOMASA-N	1	0	364.490	1.412	20	30		FDEDRO
CNC(=O)CN1CCC(NC(=O)N2CCC([NH+]3CCCCC3)CC2)CC1	ZINC000328654626	771464762	/nfs/dbraw/zinc/46/47/62/771464762.db2.gz	LYOBSTHRSKDOKX-UHFFFAOYSA-N	1	0	365.522	1.901	20	30		FDEDRO
COC(=O)[C@@H]1COCCC12CN(c1ncc3c(c1C#N)CCC[NH2+]C3)C2	ZINC001167163960	771650289	/nfs/dbraw/zinc/65/02/89/771650289.db2.gz	ZEWSFEBLBRYUPK-INIZCTEOSA-N	1	0	356.426	1.005	20	30		FDEDRO
N#C[C@H](c1ccc(N2C[C@H]3COC[C@@H](C2)C3[NH3+])nn1)c1ccccc1F	ZINC001167188072	771704298	/nfs/dbraw/zinc/70/42/98/771704298.db2.gz	QAIRXOMCCWSRSS-SGEDTQHRSA-N	1	0	353.401	1.681	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1	ZINC000430398390	771781244	/nfs/dbraw/zinc/78/12/44/771781244.db2.gz	YANVLHACYXSPGT-KURKYZTESA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CCCn1cc(C[NH2+]C[C@H]2CCn3ncc(C(=O)NC(C)C)c3C2)nn1	ZINC000657448369	782958458	/nfs/dbraw/zinc/95/84/58/782958458.db2.gz	YLKCIFCBNBYOBG-HNNXBMFYSA-N	1	0	371.489	1.541	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)nn1CCC#N	ZINC000275462978	771828556	/nfs/dbraw/zinc/82/85/56/771828556.db2.gz	VTLVYFDXVVYURE-OAHLLOKOSA-N	1	0	360.462	1.377	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N(C)CC[NH+](C)C)cc1	ZINC000275477735	771836875	/nfs/dbraw/zinc/83/68/75/771836875.db2.gz	ZABRVJOBIFZFQD-UHFFFAOYSA-N	1	0	372.469	1.459	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)NCC(C)C)CC1	ZINC001167277135	771855964	/nfs/dbraw/zinc/85/59/64/771855964.db2.gz	CHBMANJOKGXDNB-CVEARBPZSA-N	1	0	351.491	1.226	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+][C@H]2CCN(C(C)C)C2=O)CC1	ZINC001167277180	771856008	/nfs/dbraw/zinc/85/60/08/771856008.db2.gz	DAGXNYNFHRGCHM-IKGGRYGDSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC)C1)OCC	ZINC001104255300	772415112	/nfs/dbraw/zinc/41/51/12/772415112.db2.gz	BOHDHEOMCSSKJV-BRWVUGGUSA-N	1	0	353.507	1.568	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(=O)COC)C[C@H]1C	ZINC001104259173	772511596	/nfs/dbraw/zinc/51/15/96/772511596.db2.gz	AOPUWRMMYYTYJJ-IXDOHACOSA-N	1	0	353.507	1.520	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)C[C@H]1C	ZINC001104259159	772511694	/nfs/dbraw/zinc/51/16/94/772511694.db2.gz	AAWFZZLZWUUEIC-BRWVUGGUSA-N	1	0	351.491	1.132	20	30		FDEDRO
C[C@@H](NC(=O)[C@H]1C[C@H]1C(=O)N(C)C)C1C[NH+](Cc2ccc(C#N)cc2)C1	ZINC000970425379	772596175	/nfs/dbraw/zinc/59/61/75/772596175.db2.gz	OPNYHCRBPNLDET-JEBQAFNWSA-N	1	0	354.454	1.219	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1nc(C)c3cccnc31)C2	ZINC001112484308	772624853	/nfs/dbraw/zinc/62/48/53/772624853.db2.gz	IMWJILIOSAZHHW-UWJYYQICSA-N	1	0	365.481	1.981	20	30		FDEDRO
C[C@@H]1CCN(C(=O)Cn2cnnn2)[C@H](C[NH2+]Cc2cc(C#N)ccc2F)C1	ZINC001087117708	772634883	/nfs/dbraw/zinc/63/48/83/772634883.db2.gz	DMAJHVNMZPDLQH-CJNGLKHVSA-N	1	0	371.420	1.101	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ccc3nonc3c2)C1	ZINC000970448066	772679253	/nfs/dbraw/zinc/67/92/53/772679253.db2.gz	UYWOSNAEPGVWME-DWQUBVKVSA-N	1	0	356.426	1.750	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H]3CCCN(C)C3=O)C2)CCC1	ZINC001104279530	772754981	/nfs/dbraw/zinc/75/49/81/772754981.db2.gz	CZSJQDHYPJFCKY-KZNAEPCWSA-N	1	0	359.514	1.875	20	30		FDEDRO
C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC000970566807	772976919	/nfs/dbraw/zinc/97/69/19/772976919.db2.gz	LNWBSBPFWLYGGP-UCLAIMLFSA-N	1	0	354.454	1.061	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnc(C)nc1	ZINC001021384945	773121478	/nfs/dbraw/zinc/12/14/78/773121478.db2.gz	HWIMUJLDWNUEDJ-TZOQOTQKSA-N	1	0	356.470	1.988	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1cn(C)nn1	ZINC001021406872	773215294	/nfs/dbraw/zinc/21/52/94/773215294.db2.gz	AJPKVGVHKZHAMC-LLPGRJKPSA-N	1	0	359.474	1.408	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@](F)(CO)C3)cn2)CC1	ZINC000328684443	773269361	/nfs/dbraw/zinc/26/93/61/773269361.db2.gz	FAOQUEIOLHZUPH-SFHVURJKSA-N	1	0	365.453	1.044	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000656026342	773315043	/nfs/dbraw/zinc/31/50/43/773315043.db2.gz	FCWSEHUTVTUHNP-YESZJQIVSA-N	1	0	351.491	1.594	20	30		FDEDRO
C[NH+]1CCN(Cc2cccc(C(=O)NCC#C[C@@H]3CCCCO3)c2)CC1	ZINC000891118745	773328598	/nfs/dbraw/zinc/32/85/98/773328598.db2.gz	HZMJHMPTHGZFPK-FQEVSTJZSA-N	1	0	355.482	1.736	20	30		FDEDRO
C#CC1(F)CN(C(=O)C(=O)Nc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)C1	ZINC000891167526	773508612	/nfs/dbraw/zinc/50/86/12/773508612.db2.gz	QCNNWUWMRUFWHT-GASCZTMLSA-N	1	0	373.428	1.418	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1coc(C(N)=O)c1)C2	ZINC001112491300	773532263	/nfs/dbraw/zinc/53/22/63/773532263.db2.gz	PJNAUCYXQUOGQK-GUYCJALGSA-N	1	0	351.834	1.963	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(F)c(F)c2)C[C@H]1C	ZINC001104292302	773856455	/nfs/dbraw/zinc/85/64/55/773856455.db2.gz	UMYPWMQFXIDJGL-UKRRQHHQSA-N	1	0	363.408	1.402	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)N(C)C)C1	ZINC001104294094	773877903	/nfs/dbraw/zinc/87/79/03/773877903.db2.gz	VNDTWWGOCFJQMB-IXDOHACOSA-N	1	0	360.502	1.839	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C	ZINC000891245750	774081369	/nfs/dbraw/zinc/08/13/69/774081369.db2.gz	IQBSIASOTYNXQJ-RTBURBONSA-N	1	0	360.502	1.942	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21	ZINC001021643500	774344763	/nfs/dbraw/zinc/34/47/63/774344763.db2.gz	SRHHNEITKBAPPD-JCGIZDLHSA-N	1	0	369.469	1.432	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2ncoc2C)C1=O	ZINC001087130631	774442684	/nfs/dbraw/zinc/44/26/84/774442684.db2.gz	ASUAOOLOIHHPQT-KBMXLJTQSA-N	1	0	360.458	1.600	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21	ZINC000275918686	774513328	/nfs/dbraw/zinc/51/33/28/774513328.db2.gz	IVROITDAQTYHGF-YOEHRIQHSA-N	1	0	373.428	1.719	20	30		FDEDRO
Cc1cc2c(cc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)OCO2	ZINC000275937661	774710841	/nfs/dbraw/zinc/71/08/41/774710841.db2.gz	WTUDLAZUVSMOPB-UHFFFAOYSA-N	1	0	360.414	1.356	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cnc3n2CCOC3)C[C@H]1C	ZINC001104314891	774719697	/nfs/dbraw/zinc/71/96/97/774719697.db2.gz	DUWUQFGDLCINBH-HZPDHXFCSA-N	1	0	362.474	1.304	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000275942075	774736025	/nfs/dbraw/zinc/73/60/25/774736025.db2.gz	XICQCFODSBTYNT-HNNXBMFYSA-N	1	0	371.441	1.610	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)c4ccccc4)[C@@H]3C2)CC1	ZINC000971144135	775013782	/nfs/dbraw/zinc/01/37/82/775013782.db2.gz	SEMCJYKBAODJQE-WOJBJXKFSA-N	1	0	365.477	1.705	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)c4cccs4)[C@@H]3C2)CC1	ZINC000971184949	775242907	/nfs/dbraw/zinc/24/29/07/775242907.db2.gz	UKEMHUKHSXHXAE-IAGOWNOFSA-N	1	0	371.506	1.766	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cc[nH]c2C)C1=O	ZINC001087145774	775279337	/nfs/dbraw/zinc/27/93/37/775279337.db2.gz	CYEJOGXNCKUVIR-HFTRVMKXSA-N	1	0	358.486	1.940	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCN(C(=O)CCC)C3)[C@H]2C1	ZINC001083281738	790364002	/nfs/dbraw/zinc/36/40/02/790364002.db2.gz	ARDGOPBHDRULEQ-FGTMMUONSA-N	1	0	363.502	1.513	20	30		FDEDRO
C=C(Br)C[NH2+]CC[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1C	ZINC001104729173	790408128	/nfs/dbraw/zinc/40/81/28/790408128.db2.gz	PQYFTRIFFOLYEO-DGCLKSJQSA-N	1	0	355.280	1.935	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2c[nH]c(C#N)c2)nn1	ZINC001087151856	776024989	/nfs/dbraw/zinc/02/49/89/776024989.db2.gz	OCVRYNGSRFBELD-DYVFJYSZSA-N	1	0	368.441	1.715	20	30		FDEDRO
C[C@@H]1CCN(C(=O)CN2CCOCC2)[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001087152324	776080834	/nfs/dbraw/zinc/08/08/34/776080834.db2.gz	WDWQBTPPSDYGID-XLIONFOSSA-N	1	0	370.497	1.607	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cc(C(F)F)ncn2)C[C@H]1C	ZINC001104349329	776326587	/nfs/dbraw/zinc/32/65/87/776326587.db2.gz	KPAHUZOMDHDFEM-ZIAGYGMSSA-N	1	0	366.412	1.752	20	30		FDEDRO
CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1C	ZINC001104736038	790523771	/nfs/dbraw/zinc/52/37/71/790523771.db2.gz	JBDUVJIZILCESH-OAGGEKHMSA-N	1	0	366.506	1.629	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCn3cncc3C2)C[C@H]1C	ZINC001104364039	777492670	/nfs/dbraw/zinc/49/26/70/777492670.db2.gz	UHWUZVMEVCBCRB-FGTMMUONSA-N	1	0	358.486	1.170	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccnc(N3CCCC3)n2)C[C@H]1C	ZINC001104365584	777767898	/nfs/dbraw/zinc/76/78/98/777767898.db2.gz	QEEYMAVYWYSNJX-IAGOWNOFSA-N	1	0	355.486	1.788	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(-c4cn[nH]c4)cc3)[C@H]2C1	ZINC001083222980	778230869	/nfs/dbraw/zinc/23/08/69/778230869.db2.gz	XNRKTPDBJPONLC-RBUKOAKNSA-N	1	0	350.422	1.625	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N1CCc2sc(C[NH3+])nc2C1	ZINC000891557044	778306371	/nfs/dbraw/zinc/30/63/71/778306371.db2.gz	LYWUGIIJZWZRJF-UHFFFAOYSA-N	1	0	356.451	1.882	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1	ZINC001022217512	778683419	/nfs/dbraw/zinc/68/34/19/778683419.db2.gz	PVZFNGAPOSDGHS-FJIDUMEYSA-N	1	0	373.497	1.123	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]3C2)cn1	ZINC001022223973	778724234	/nfs/dbraw/zinc/72/42/34/778724234.db2.gz	ZFSIQCWEHIMAJJ-RYQLBKOJSA-N	1	0	354.454	1.076	20	30		FDEDRO
C[NH+]=C(NCCc1csc(-c2ccccc2)n1)NCCN1CCOCC1	ZINC000084734651	779027711	/nfs/dbraw/zinc/02/77/11/779027711.db2.gz	KITBSBOCAMNXRE-UHFFFAOYSA-N	1	0	373.526	1.850	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H]([N@H+](C)Cc3ccc(C#N)cc3)C2)O1	ZINC000971782486	779073004	/nfs/dbraw/zinc/07/30/04/779073004.db2.gz	WXEZTHCDBGBGIJ-ATZDWAIDSA-N	1	0	356.470	1.310	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CSC)C[C@H]1c1ccccc1	ZINC001211522451	779076196	/nfs/dbraw/zinc/07/61/96/779076196.db2.gz	SWCPKSJWQYBTMW-BHYGNILZSA-N	1	0	361.511	1.624	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C(F)=C(C)C)[C@@H]3C2)CC1	ZINC000971783291	779078703	/nfs/dbraw/zinc/07/87/03/779078703.db2.gz	AQSCDIFSTKEBRN-IAGOWNOFSA-N	1	0	361.461	1.654	20	30		FDEDRO
CCC(CC)[C@@H](CNC(=O)NCc1nc(C#N)cs1)[NH+]1CCOCC1	ZINC000891745016	779242735	/nfs/dbraw/zinc/24/27/35/779242735.db2.gz	DHEUJBDFTMZWHE-OAHLLOKOSA-N	1	0	365.503	1.951	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cnn4cc(OC)ccc34)[C@H]2C1	ZINC001083225959	779443228	/nfs/dbraw/zinc/44/32/28/779443228.db2.gz	YAOQRWQDBDBMKI-ZWKOTPCHSA-N	1	0	356.426	1.444	20	30		FDEDRO
C[NH+]1CCN(Cc2ccc(CNC(=O)N3CCO[C@@](C)(C#N)C3)cc2)CC1	ZINC000891811360	779531890	/nfs/dbraw/zinc/53/18/90/779531890.db2.gz	CVNXZWTTWMVPJP-FQEVSTJZSA-N	1	0	371.485	1.258	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)NCC#C[C@@H]3CCCCO3)ccn2)CC1	ZINC000891830090	779623874	/nfs/dbraw/zinc/62/38/74/779623874.db2.gz	MCPQMBJXWJMVLE-SFHVURJKSA-N	1	0	371.485	1.205	20	30		FDEDRO
C[NH+]=C(N[C@@H]1C[C@@H]1C1CCCCC1)N1CCN(CCC(=O)N(C)C)CC1	ZINC000261971674	779763112	/nfs/dbraw/zinc/76/31/12/779763112.db2.gz	MYSJYJUZOJJLNZ-QZTJIDSGSA-N	1	0	363.550	1.627	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1	ZINC000426155451	779803665	/nfs/dbraw/zinc/80/36/65/779803665.db2.gz	XQKHSHBWMJYYKU-OLZOCXBDSA-N	1	0	374.407	1.718	20	30		FDEDRO
C[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1	ZINC000971851226	779986579	/nfs/dbraw/zinc/98/65/79/779986579.db2.gz	MSLJZUNTIDNEQF-OGHNNQOOSA-N	1	0	366.425	1.161	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1	ZINC000971851624	779989986	/nfs/dbraw/zinc/98/99/86/779989986.db2.gz	VLWSDEBBECGNGW-QGPMSJSTSA-N	1	0	369.469	1.434	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2COCC[C@H]2OC)c(OC)c1	ZINC000934041714	780639800	/nfs/dbraw/zinc/63/98/00/780639800.db2.gz	GTDYLAWXIYSKFE-BRWVUGGUSA-N	1	0	351.443	1.557	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCCC(C)=O)C[C@H]1c1ccccc1	ZINC001211530319	780716943	/nfs/dbraw/zinc/71/69/43/780716943.db2.gz	WUEVVTHLUPCBKM-RBUKOAKNSA-N	1	0	369.465	1.079	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc4c([nH]c3=O)CCCC4)[C@H]2C1	ZINC001083231344	780821179	/nfs/dbraw/zinc/82/11/79/780821179.db2.gz	VFPZWHOVEYSJSQ-ZWKOTPCHSA-N	1	0	357.454	1.767	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]2O)CC1	ZINC001025491318	790829990	/nfs/dbraw/zinc/82/99/90/790829990.db2.gz	XJGHZTMKWWHIAG-QZTJIDSGSA-N	1	0	368.437	1.382	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCCCC)C[C@H]1c1ccccc1	ZINC001211532625	780930617	/nfs/dbraw/zinc/93/06/17/780930617.db2.gz	YWTALMKLMYNJDR-RBUKOAKNSA-N	1	0	355.482	1.900	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CC=CCC1)C2	ZINC001112509740	781055854	/nfs/dbraw/zinc/05/58/54/781055854.db2.gz	JUSASFPXQZZXDY-WFXMLNOXSA-N	1	0	357.498	1.701	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)c3cc(CN4CCCC4)on3)C[C@H]21	ZINC001022567796	781178169	/nfs/dbraw/zinc/17/81/69/781178169.db2.gz	IFDCUOPVNOFDDR-JKIFEVAISA-N	1	0	371.441	1.103	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3scc4c3OCCO4)[C@H]2C1	ZINC001083239155	781728258	/nfs/dbraw/zinc/72/82/58/781728258.db2.gz	WFCJIRMUBCSWSN-QWHCGFSZSA-N	1	0	350.440	1.621	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCN(C(C)=O)C2)C[C@H]1C	ZINC001104399673	781802986	/nfs/dbraw/zinc/80/29/86/781802986.db2.gz	TUKVPULLFSBPNT-BHIYHBOVSA-N	1	0	365.518	1.522	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCN2CCNC2=O)C1	ZINC001211553468	783296759	/nfs/dbraw/zinc/29/67/59/783296759.db2.gz	AZEAJSMRARIVRB-ZWKOTPCHSA-N	1	0	356.470	1.562	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)Cn2ncc3cc(C)cnc32)C[C@H]1C	ZINC001104424577	783312523	/nfs/dbraw/zinc/31/25/23/783312523.db2.gz	LXXHTQJCKJNUKD-IAGOWNOFSA-N	1	0	353.470	1.837	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]21	ZINC000972343085	783360734	/nfs/dbraw/zinc/36/07/34/783360734.db2.gz	XBMTYHZYCRXYDN-QLFBSQMISA-N	1	0	353.894	1.776	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)C1=O	ZINC000685012049	783544012	/nfs/dbraw/zinc/54/40/12/783544012.db2.gz	OKAJBYORNUPJON-INIZCTEOSA-N	1	0	374.489	1.709	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@@H](O)Cn2cccn2)C1	ZINC001112519939	783939840	/nfs/dbraw/zinc/93/98/40/783939840.db2.gz	GUJBTGWERBEQKD-NSHGMRRFSA-N	1	0	360.502	1.819	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)cc1	ZINC001024158596	784039891	/nfs/dbraw/zinc/03/98/91/784039891.db2.gz	WZFOEXOMBHTRRB-OTWHNJEPSA-N	1	0	368.481	1.788	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2cn(C(C)C)nn2)C1	ZINC001024164365	784152794	/nfs/dbraw/zinc/15/27/94/784152794.db2.gz	AVBVHNSNMMBCHK-NXHRZFHOSA-N	1	0	361.490	1.778	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1	ZINC000658517077	784211204	/nfs/dbraw/zinc/21/12/04/784211204.db2.gz	MECSQLUUPMCUNE-GOSISDBHSA-N	1	0	365.518	1.666	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@H]2O)C1	ZINC001025545309	791011023	/nfs/dbraw/zinc/01/10/23/791011023.db2.gz	ALNMCOLDELKXTA-IAGOWNOFSA-N	1	0	368.437	1.301	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2cnn(C)n2)C1	ZINC001024192273	784289632	/nfs/dbraw/zinc/28/96/32/784289632.db2.gz	QYIORQHZNFSIQF-NJAFHUGGSA-N	1	0	361.490	1.515	20	30		FDEDRO
N#CCNC(=O)CNC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000377059012	791031368	/nfs/dbraw/zinc/03/13/68/791031368.db2.gz	YGRHGNOXEQUFNY-ROUUACIJSA-N	1	0	369.469	1.465	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1	ZINC000658666311	784797375	/nfs/dbraw/zinc/79/73/75/784797375.db2.gz	YJGZRWYOJPICBU-GOSISDBHSA-N	1	0	373.497	1.818	20	30		FDEDRO
N#Cc1ccc(N2C(=O)C[C@H](N3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@@H]4C3)C2=O)cc1	ZINC000364274803	784948975	/nfs/dbraw/zinc/94/89/75/784948975.db2.gz	YDGHOBGWEYCWFY-NQYYFHDYSA-N	1	0	364.449	1.606	20	30		FDEDRO
CN1CCN(c2cc(N3CC=C(c4ccc(C#N)cc4)CC3)ncn2)CC1=O	ZINC000364338715	784960625	/nfs/dbraw/zinc/96/06/25/784960625.db2.gz	BPZARBBIZZCIAZ-UHFFFAOYSA-N	1	0	374.448	1.920	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CCC)C2)cc1	ZINC000658779542	785168781	/nfs/dbraw/zinc/16/87/81/785168781.db2.gz	QYKDMVNTCCIZCR-INIZCTEOSA-N	1	0	373.457	1.533	20	30		FDEDRO
COC(=O)c1cn(CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)nn1	ZINC000375892037	785234090	/nfs/dbraw/zinc/23/40/90/785234090.db2.gz	XQVOQDNMTZTDLM-UHFFFAOYSA-N	1	0	354.414	1.195	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)/C=C/c4ccco4)[C@@H]3C2)C1=O	ZINC001075499295	785261741	/nfs/dbraw/zinc/26/17/41/785261741.db2.gz	NYIOZDYQOFSZOK-PKIFBNGUSA-N	1	0	355.438	1.612	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)/C=C\c4ccco4)[C@@H]3C2)C1=O	ZINC001075499293	785262095	/nfs/dbraw/zinc/26/20/95/785262095.db2.gz	NYIOZDYQOFSZOK-IHPGBTGWSA-N	1	0	355.438	1.612	20	30		FDEDRO
N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CC[C@@H](C4CCOCC4)C3)C2=O)cc1	ZINC000365035892	785268127	/nfs/dbraw/zinc/26/81/27/785268127.db2.gz	KGJSHSMZNCOFOU-AEFFLSMTSA-N	1	0	353.422	1.939	20	30		FDEDRO
CN(C(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1)C1CC[NH+](C)CC1	ZINC000365123415	785293752	/nfs/dbraw/zinc/29/37/52/785293752.db2.gz	HERGTJQRBMPHQS-GOSISDBHSA-N	1	0	354.454	1.602	20	30		FDEDRO
C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	ZINC001024571943	785303510	/nfs/dbraw/zinc/30/35/10/785303510.db2.gz	MJUUHFNLMAOYRU-OTWHNJEPSA-N	1	0	365.518	1.413	20	30		FDEDRO
CC1(CC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(=O)NCC#N)C2)CC1	ZINC001211634756	785348848	/nfs/dbraw/zinc/34/88/48/785348848.db2.gz	CYSILYAZDJAFNI-DLBZAZTESA-N	1	0	354.454	1.401	20	30		FDEDRO
CN1CC[NH+](C[C@H]2CCCN(C(=O)NCc3cccc(C#N)c3)C2)CC1	ZINC000365260031	785362980	/nfs/dbraw/zinc/36/29/80/785362980.db2.gz	OPFUBZJKBPFSGF-LJQANCHMSA-N	1	0	355.486	1.727	20	30		FDEDRO
N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCC(F)F)C[C@H]1c1ccccc1	ZINC001211635086	785390537	/nfs/dbraw/zinc/39/05/37/785390537.db2.gz	RBYMOEPHUACHSP-LSDHHAIUSA-N	1	0	364.396	1.256	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+]C[C@@H]3C[C@H](F)CN3c3cccnn3)n2c1	ZINC000376004850	785512543	/nfs/dbraw/zinc/51/25/43/785512543.db2.gz	DTJJQQKDDUSERO-GJZGRUSLSA-N	1	0	351.389	1.703	20	30		FDEDRO
C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1	ZINC001024650843	785618813	/nfs/dbraw/zinc/61/88/13/785618813.db2.gz	NYNYPXTWFMMRNJ-OKZBNKHCSA-N	1	0	361.486	1.150	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCCc1nc(C)no1	ZINC001024661646	785651374	/nfs/dbraw/zinc/65/13/74/785651374.db2.gz	KNJRYTQPMCVXMT-ZACQAIPSSA-N	1	0	362.474	1.872	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC2(C)CC2)C[C@H]1c1ccccc1	ZINC001211637393	786677267	/nfs/dbraw/zinc/67/72/67/786677267.db2.gz	NJDDRRMQQGZLFU-YTQUADARSA-N	1	0	367.493	1.899	20	30		FDEDRO
C[N@@H+]1CC[C@@H](NC(=O)NCCn2cnc(C#N)n2)[C@H]1c1ccc(F)cc1	ZINC000376249644	787004343	/nfs/dbraw/zinc/00/43/43/787004343.db2.gz	JQPRJPQEXWJRSP-GDBMZVCRSA-N	1	0	357.393	1.033	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1	ZINC000936120159	787289132	/nfs/dbraw/zinc/28/91/32/787289132.db2.gz	WULLLPKEJGNWOB-QRQLOZEOSA-N	1	0	371.481	1.670	20	30		FDEDRO
CS[C@@H]1CN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@@H]1[NH+](C)C	ZINC000376364695	787463241	/nfs/dbraw/zinc/46/32/41/787463241.db2.gz	CJJCPKMNVSHFTB-LSDHHAIUSA-N	1	0	371.470	1.648	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1	ZINC000978821702	805797259	/nfs/dbraw/zinc/79/72/59/805797259.db2.gz	ZDWWNLNRQVTKIM-WKULXVSPSA-N	1	0	363.502	1.461	20	30		FDEDRO
Cc1c(C(=O)N2C[C@H]3CCN(C(=O)[C@@H](C)C#N)C[C@H]32)ccc2c[nH+]cn21	ZINC000973038144	787579416	/nfs/dbraw/zinc/57/94/16/787579416.db2.gz	YIULZZCHPTUASE-DXCKQFNASA-N	1	0	351.410	1.475	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001067539128	787590233	/nfs/dbraw/zinc/59/02/33/787590233.db2.gz	DANBECFXFODCAS-MBOZVWFJSA-N	1	0	367.534	1.862	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cnc(C)nc3)C[C@H]21	ZINC000978842674	805809685	/nfs/dbraw/zinc/80/96/85/805809685.db2.gz	QSRVIOWZBJKUJY-FKSLSLAPSA-N	1	0	356.470	1.560	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@H]21	ZINC000978841854	805809865	/nfs/dbraw/zinc/80/98/65/805809865.db2.gz	PJBTVKPNFWQQTK-FCMAGTKHSA-N	1	0	370.493	1.954	20	30		FDEDRO
C=CCOCCNC(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000376411435	787660575	/nfs/dbraw/zinc/66/05/75/787660575.db2.gz	DZWNRKSAEJEAIG-FQEVSTJZSA-N	1	0	372.513	1.791	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]C[C@H](C)OC)C2)nn1	ZINC001211684195	805815377	/nfs/dbraw/zinc/81/53/77/805815377.db2.gz	MZRISQSHBAWDPB-RYQLBKOJSA-N	1	0	369.469	1.697	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](C)CS(C)(=O)=O)C1	ZINC001104553955	787768747	/nfs/dbraw/zinc/76/87/47/787768747.db2.gz	KAZHTWDVLFSWMP-RCCFBDPRSA-N	1	0	370.559	1.935	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001025084333	787778987	/nfs/dbraw/zinc/77/89/87/787778987.db2.gz	SKUXZAPRCXMFIV-QRVBRYPASA-N	1	0	368.481	1.753	20	30		FDEDRO
C=CCN(C(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[C@H](C)COC	ZINC000659093970	787994349	/nfs/dbraw/zinc/99/43/49/787994349.db2.gz	FWACXIQJGDXSPS-PBHICJAKSA-N	1	0	361.442	1.336	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](OC)c2cnn(C)c2)C[C@H]1c1ccccc1	ZINC001211642898	788094910	/nfs/dbraw/zinc/09/49/10/788094910.db2.gz	UJNWIOUOJZIYLM-XUVXKRRUSA-N	1	0	366.465	1.715	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000973286979	788493105	/nfs/dbraw/zinc/49/31/05/788493105.db2.gz	NHWZEBPHYSPMGZ-KLICCBINSA-N	1	0	369.465	1.416	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cc1	ZINC000973334333	788682877	/nfs/dbraw/zinc/68/28/77/788682877.db2.gz	COKGAVCLLZTLRZ-CADBVGFASA-N	1	0	353.466	1.775	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]c3cnccc23)C[C@H]1C	ZINC001104580784	788694306	/nfs/dbraw/zinc/69/43/06/788694306.db2.gz	IQHFJOJRDVEUBB-IAGOWNOFSA-N	1	0	368.481	1.829	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3CCC)C2)CC1	ZINC000978910063	805901322	/nfs/dbraw/zinc/90/13/22/805901322.db2.gz	PPVBEXAOUOJNEE-OQIJWPOYSA-N	1	0	359.514	1.779	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)CNC(C)=O)C[C@H]1c1ccccc1	ZINC001211687901	805914114	/nfs/dbraw/zinc/91/41/14/805914114.db2.gz	FWAAPFMNEPNHPP-RBUKOAKNSA-N	1	0	355.482	1.756	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCNS(C)(=O)=O)C2)CC1	ZINC001104631484	789059752	/nfs/dbraw/zinc/05/97/52/789059752.db2.gz	OXBACNAUOLETQT-HZPDHXFCSA-N	1	0	371.547	1.356	20	30		FDEDRO
COC[C@H](OC)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC#Cc2ccccc2)C1	ZINC001104648445	789161695	/nfs/dbraw/zinc/16/16/95/789161695.db2.gz	MNKJCGABCHPXPZ-RLLQIKCJSA-N	1	0	358.482	1.774	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1	ZINC001104670142	789279121	/nfs/dbraw/zinc/27/91/21/789279121.db2.gz	RTPTZLXAZIACPP-FQELHTAISA-N	1	0	368.481	1.659	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2nccc3[nH]ccc32)C[C@H]1C	ZINC001104694410	789464406	/nfs/dbraw/zinc/46/44/06/789464406.db2.gz	QBOOSAMSACSJTB-HZPDHXFCSA-N	1	0	354.454	1.901	20	30		FDEDRO
C#C[C@@H]1CCCCN1C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000892702727	789517326	/nfs/dbraw/zinc/51/73/26/789517326.db2.gz	IGXPEMNBFAXETQ-GOSISDBHSA-N	1	0	356.470	1.675	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccnc(OC)n2)C1	ZINC001104704331	789553506	/nfs/dbraw/zinc/55/35/06/789553506.db2.gz	TUMJPJFQPYTMCT-AHCXZYCDSA-N	1	0	374.485	1.651	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCC2(C[NH3+])CC2)cc1	ZINC000652567861	805995214	/nfs/dbraw/zinc/99/52/14/805995214.db2.gz	GWRNLIRCMUCZMO-UHFFFAOYSA-N	1	0	366.487	1.744	20	30		FDEDRO
CC(C)Cc1ncc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cn1	ZINC000472728107	791529186	/nfs/dbraw/zinc/52/91/86/791529186.db2.gz	XAYCSVVGSLMYML-UHFFFAOYSA-N	1	0	360.462	1.308	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1	ZINC001025691721	791835570	/nfs/dbraw/zinc/83/55/70/791835570.db2.gz	QMKZQBVATLBONV-ZIAGYGMSSA-N	1	0	371.909	1.185	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc1C#N	ZINC000415317800	791919695	/nfs/dbraw/zinc/91/96/95/791919695.db2.gz	PYAUTGAOAJNLDO-AWEZNQCLSA-N	1	0	373.457	1.664	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1C#N	ZINC000415346134	791985183	/nfs/dbraw/zinc/98/51/83/791985183.db2.gz	BNSZNOSSEUFGFL-KGLIPLIRSA-N	1	0	358.442	1.788	20	30		FDEDRO
CN1CC[NH+](CCC2CCN(C(=O)COc3ccc(C#N)cc3)CC2)CC1	ZINC000377499445	792001974	/nfs/dbraw/zinc/00/19/74/792001974.db2.gz	QWRITJWWXWZGEU-UHFFFAOYSA-N	1	0	370.497	1.813	20	30		FDEDRO
C[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1	ZINC000415391824	792163724	/nfs/dbraw/zinc/16/37/24/792163724.db2.gz	IHMUHSUGVBYTQB-UHFFFAOYSA-N	1	0	368.359	1.974	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)n2)c(F)c1	ZINC000415444866	792278073	/nfs/dbraw/zinc/27/80/73/792278073.db2.gz	RRMJWFKUOLVOCZ-DZKIICNBSA-N	1	0	368.416	2.474	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1	ZINC000415528452	792443872	/nfs/dbraw/zinc/44/38/72/792443872.db2.gz	VXKNAQXYGFADGS-MRXNPFEDSA-N	1	0	370.453	1.886	20	30		FDEDRO
Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H]3C(=O)NC[C@H]3C2)cc1C	ZINC000377685132	792508828	/nfs/dbraw/zinc/50/88/28/792508828.db2.gz	XWBOIDUCUGLALU-WMZOPIPTSA-N	1	0	354.454	1.618	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1=O	ZINC001025919459	792625159	/nfs/dbraw/zinc/62/51/59/792625159.db2.gz	KSSVDJNRRLMGJT-RRGAYKJSSA-N	1	0	357.498	1.646	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1	ZINC000377779589	792769800	/nfs/dbraw/zinc/76/98/00/792769800.db2.gz	YWCIRSJHFMCVSX-BZUAXINKSA-N	1	0	364.490	1.936	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC[NH2+]1	ZINC000415671995	792783580	/nfs/dbraw/zinc/78/35/80/792783580.db2.gz	JSQABRNRZRQFLJ-JOYOIKCWSA-N	1	0	370.331	1.652	20	30		FDEDRO
C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1OCCO[C@H]1C)C[C@@H](C)O2	ZINC001098605764	792940620	/nfs/dbraw/zinc/94/06/20/792940620.db2.gz	KQJIHHHOWJELSN-IKGGRYGDSA-N	1	0	352.475	1.448	20	30		FDEDRO
O=C(Nc1ccccc1C#Cc1ccccc1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21	ZINC000415816213	793033088	/nfs/dbraw/zinc/03/30/88/793033088.db2.gz	MSYZDDFDEQDXII-QUCCMNQESA-N	1	0	359.429	1.845	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCCC[C@@H]1CCC[NH2+]1	ZINC000415809163	793034187	/nfs/dbraw/zinc/03/41/87/793034187.db2.gz	UOJZWGUEVXXOEZ-HNNXBMFYSA-N	1	0	358.442	1.932	20	30		FDEDRO
[NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1	ZINC000415844160	793164258	/nfs/dbraw/zinc/16/42/58/793164258.db2.gz	SWLGKEPFZLCNGF-QFBILLFUSA-N	1	0	362.433	1.664	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1	ZINC000415862440	793207554	/nfs/dbraw/zinc/20/75/54/793207554.db2.gz	QACNHFANTUJHHP-QGZVFWFLSA-N	1	0	370.453	1.742	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)cc1C(F)(F)F	ZINC000415863338	793207753	/nfs/dbraw/zinc/20/77/53/793207753.db2.gz	RFLKYYWFNMEDJN-GFCCVEGCSA-N	1	0	370.331	1.092	20	30		FDEDRO
CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1	ZINC000415862994	793208702	/nfs/dbraw/zinc/20/87/02/793208702.db2.gz	QPSQSISYJWWHJB-MRXNPFEDSA-N	1	0	358.417	1.872	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1F	ZINC000290416438	793297190	/nfs/dbraw/zinc/29/71/90/793297190.db2.gz	GTBJKXOPEBZBKA-CQSZACIVSA-N	1	0	374.416	1.207	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CCN(C(=O)Nc3ccc(OCC[NH3+])cc3)C2)nc1	ZINC000415942212	793411976	/nfs/dbraw/zinc/41/19/76/793411976.db2.gz	ABDYDAGTJOUFAL-KRWDZBQOSA-N	1	0	367.409	1.976	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)OC)C2)CC1	ZINC000295240098	793416902	/nfs/dbraw/zinc/41/69/02/793416902.db2.gz	CUOVWTNIFKDFMH-RBUKOAKNSA-N	1	0	370.449	1.452	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2ccsc2C)C[C@H]1C	ZINC001104756674	793457927	/nfs/dbraw/zinc/45/79/27/793457927.db2.gz	DZFXUHKCOXVKKZ-RHSMWYFYSA-N	1	0	363.527	1.975	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccccc1OCCN1CC[NH2+]CC1	ZINC000416026763	793501692	/nfs/dbraw/zinc/50/16/92/793501692.db2.gz	JSEVMZZALOMFLD-AEFFLSMTSA-N	1	0	374.485	1.826	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1	ZINC000378128138	793550357	/nfs/dbraw/zinc/55/03/57/793550357.db2.gz	SSTNVSGFZJCVBF-OAGGEKHMSA-N	1	0	369.473	1.195	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCc2cn[nH]c2)C[C@H]1C	ZINC001104772192	793566550	/nfs/dbraw/zinc/56/65/50/793566550.db2.gz	WBLRLXLTDKJVLP-HLLBOEOZSA-N	1	0	361.490	1.107	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+]C[C@@]3(N4CCOCC4)CCCOC3)n2c1	ZINC000378144858	793568568	/nfs/dbraw/zinc/56/85/68/793568568.db2.gz	AJWRLEPBMUMKKT-IBGZPJMESA-N	1	0	355.442	1.177	20	30		FDEDRO
C[C@H]([NH2+]C[C@]1(N2CCOCC2)CCCOC1)C(=O)Nc1ccccc1C#N	ZINC000378154188	793582753	/nfs/dbraw/zinc/58/27/53/793582753.db2.gz	LPFGWWJZGPCMCR-OXJNMPFZSA-N	1	0	372.469	1.356	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(C)C)C1	ZINC001104782462	793631434	/nfs/dbraw/zinc/63/14/34/793631434.db2.gz	CLEHDVXJQXCMRV-VXNCWWDNSA-N	1	0	365.518	1.566	20	30		FDEDRO
C[C@@H](Cc1ccco1)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104782826	793634672	/nfs/dbraw/zinc/63/46/72/793634672.db2.gz	WASFJAYRTWRWLG-ARFHVFGLSA-N	1	0	360.458	1.172	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2c(C)n[nH]c2C)C[C@H]1C	ZINC001104803254	793766643	/nfs/dbraw/zinc/76/66/43/793766643.db2.gz	RDSPLCMAIXZHBT-DAXOMENPSA-N	1	0	361.490	1.405	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2scnc2C)C[C@H]1C(F)(F)F	ZINC001112051734	793787651	/nfs/dbraw/zinc/78/76/51/793787651.db2.gz	IAIJKQGZCXKEQV-VXGBXAGGSA-N	1	0	361.389	1.694	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1	ZINC000636502183	793788648	/nfs/dbraw/zinc/78/86/48/793788648.db2.gz	BYELMCJEILFKLD-QGZVFWFLSA-N	1	0	366.550	1.483	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1CC[NH2+]CC#Cc1ccc(F)cc1	ZINC001104810499	793816615	/nfs/dbraw/zinc/81/66/15/793816615.db2.gz	VQIUFYJPLLGBQI-GDBMZVCRSA-N	1	0	355.417	1.683	20	30		FDEDRO
CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)c2C1	ZINC000330190249	793943387	/nfs/dbraw/zinc/94/33/87/793943387.db2.gz	VZDQRVDXYFSKEV-SOLBZPMBSA-N	1	0	373.501	1.978	20	30		FDEDRO
CCSCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC#CCOC)C1	ZINC001112055570	794004128	/nfs/dbraw/zinc/00/41/28/794004128.db2.gz	SLXGIBQSECYVOU-CHWSQXEVSA-N	1	0	352.422	1.758	20	30		FDEDRO
C=C(Br)C[NH2+]CC[C@@H]1CN(C(=O)c2cn(CC)nn2)C[C@H]1C	ZINC001104851169	794064089	/nfs/dbraw/zinc/06/40/89/794064089.db2.gz	SNXKMANUYWGUOQ-DGCLKSJQSA-N	1	0	370.295	1.894	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2c[nH]nc2C2CC2)C[C@H]1C	ZINC001104863925	794121357	/nfs/dbraw/zinc/12/13/57/794121357.db2.gz	QTIJIADZOWZWKT-UKRRQHHQSA-N	1	0	359.474	1.277	20	30		FDEDRO
C#CCCN1CCN(CC(=O)N2CCC(OCc3ccccc3)CC2)CC1	ZINC000378460758	794178095	/nfs/dbraw/zinc/17/80/95/794178095.db2.gz	JNFJCESBPBLBHB-UHFFFAOYSA-N	1	0	369.509	1.835	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)Cn2nc3n(c2=O)CCCC3)C[C@H]1C	ZINC001104880319	794198867	/nfs/dbraw/zinc/19/88/67/794198867.db2.gz	XSSFZGZFUIDCHQ-HZPDHXFCSA-N	1	0	361.490	1.031	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@H]1C	ZINC001104890356	794233036	/nfs/dbraw/zinc/23/30/36/794233036.db2.gz	USFRSBDZHSHFPW-RVKKMQEKSA-N	1	0	359.514	1.635	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3n[nH]nc3C2)C[C@H]1C	ZINC001104904707	794312550	/nfs/dbraw/zinc/31/25/50/794312550.db2.gz	HSLSQBGKZSJSLN-OWCLPIDISA-N	1	0	361.490	1.186	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2c[nH]c3cccnc32)C[C@H]1C	ZINC001104910770	794366470	/nfs/dbraw/zinc/36/64/70/794366470.db2.gz	ORIGELMLTHZBGI-HUUCEWRRSA-N	1	0	367.453	1.000	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](C)OC)C1	ZINC001104921582	794403813	/nfs/dbraw/zinc/40/38/13/794403813.db2.gz	IZJLXBRGYCXNNA-IXDOHACOSA-N	1	0	359.470	1.816	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCOCCOC)C2)nc1	ZINC001104924934	794423509	/nfs/dbraw/zinc/42/35/09/794423509.db2.gz	UHOAVEDVRGAYRD-SJLPKXTDSA-N	1	0	359.470	1.414	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C)C2)CCOCC1	ZINC001104959402	794592732	/nfs/dbraw/zinc/59/27/32/794592732.db2.gz	DXSXLUSHPBXSTG-IAGOWNOFSA-N	1	0	365.518	1.522	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC)C2)CCOCC1	ZINC001104960557	794597232	/nfs/dbraw/zinc/59/72/32/794597232.db2.gz	YTDXNJUNWUTDEM-BRWVUGGUSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2[nH]cnc2CC)C[C@H]1C	ZINC001104963967	794598766	/nfs/dbraw/zinc/59/87/66/794598766.db2.gz	DZZGARAJBBZHBN-RBSFLKMASA-N	1	0	361.490	1.351	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1C	ZINC001104965118	794612026	/nfs/dbraw/zinc/61/20/26/794612026.db2.gz	XKBWTBJIZLRRGH-OWCLPIDISA-N	1	0	359.536	1.307	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C)c(C)c2)C[C@H]1C	ZINC001104972353	794668706	/nfs/dbraw/zinc/66/87/06/794668706.db2.gz	XQKRHKXSGGAMNQ-IEBWSBKVSA-N	1	0	355.482	1.741	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)C(C)(C)C)C[C@H]1C	ZINC001105002569	794834540	/nfs/dbraw/zinc/83/45/40/794834540.db2.gz	QOGOMGWMSIORFR-HZPDHXFCSA-N	1	0	353.507	1.426	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C	ZINC001105045044	795052318	/nfs/dbraw/zinc/05/23/18/795052318.db2.gz	LARJWCFMNARCLQ-UYAOXDASSA-N	1	0	365.477	1.252	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000979613751	806389615	/nfs/dbraw/zinc/38/96/15/806389615.db2.gz	RDOSJIYXDLZIIB-NZUILWFCSA-N	1	0	357.458	1.241	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccn(C)c(=O)c2)C1	ZINC001105085417	795196336	/nfs/dbraw/zinc/19/63/36/795196336.db2.gz	PBYKHDBBEPLDJQ-SJLPKXTDSA-N	1	0	361.486	1.552	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)CC2CC2)C1	ZINC001105089896	795232224	/nfs/dbraw/zinc/23/22/24/795232224.db2.gz	AGVBDAYPPUZDPF-SOLBZPMBSA-N	1	0	365.518	1.520	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnc(CC)n2C)C1	ZINC001105090201	795233634	/nfs/dbraw/zinc/23/36/34/795233634.db2.gz	MNXPDKZJHLOGSZ-BZUAXINKSA-N	1	0	363.506	1.543	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccnc(OC)n2)C1	ZINC001105090231	795234119	/nfs/dbraw/zinc/23/41/19/795234119.db2.gz	NHRGDYCLBZCNPA-OWCLPIDISA-N	1	0	362.474	1.651	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(CC)C2CC2)C1	ZINC001105090725	795237171	/nfs/dbraw/zinc/23/71/71/795237171.db2.gz	HYWOXYALXWVHAQ-BRWVUGGUSA-N	1	0	365.518	1.663	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCCOC(C)C)C[C@H]1C	ZINC001105100262	795283036	/nfs/dbraw/zinc/28/30/36/795283036.db2.gz	JIBXBQJYUWVWJL-FGTMMUONSA-N	1	0	365.518	1.404	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCCOC(C)C)C[C@H]1C	ZINC001105100236	795283265	/nfs/dbraw/zinc/28/32/65/795283265.db2.gz	HWCWOOJPXAXTDO-KZNAEPCWSA-N	1	0	367.534	1.957	20	30		FDEDRO
C=C(Br)C[NH2+]CC[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C	ZINC001105101423	795295152	/nfs/dbraw/zinc/29/51/52/795295152.db2.gz	KJNGVEIHRZZXMT-TZMCWYRMSA-N	1	0	355.280	1.866	20	30		FDEDRO
C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000417572887	795299383	/nfs/dbraw/zinc/29/93/83/795299383.db2.gz	GXXYFMWMCBYNJJ-FRFSOERESA-N	1	0	359.449	1.963	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)C2CCC2)C[C@H]1C	ZINC001105111323	795322132	/nfs/dbraw/zinc/32/21/32/795322132.db2.gz	UDEVNVIXAJLACQ-JFIYKMOQSA-N	1	0	363.502	1.015	20	30		FDEDRO
CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1c(F)c(F)cc(F)c1F	ZINC000663312497	806419542	/nfs/dbraw/zinc/41/95/42/806419542.db2.gz	YDCUUVGZYOFHLW-ZCFIWIBFSA-N	1	0	354.247	1.753	20	30		FDEDRO
C[C@]1(C[NH3+])CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000418015031	795462749	/nfs/dbraw/zinc/46/27/49/795462749.db2.gz	VLQGSMZYZOKMHV-VQIMIIECSA-N	1	0	355.442	1.434	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC([NH2+]Cc2ccnc(OC)n2)CC1	ZINC001026563979	795557947	/nfs/dbraw/zinc/55/79/47/795557947.db2.gz	ROCQAPVKAVBXNO-MMADZMRASA-N	1	0	360.458	1.593	20	30		FDEDRO
CCCNC(=O)CN1CCC([NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)CC1	ZINC000364289700	795605966	/nfs/dbraw/zinc/60/59/66/795605966.db2.gz	KDYSCYXFRHLHOZ-OKYOBFRVSA-N	1	0	362.518	1.806	20	30		FDEDRO
C=C(CNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccccc1	ZINC000418214696	795631914	/nfs/dbraw/zinc/63/19/14/795631914.db2.gz	XPWMJNLHXNXYPO-MJGOQNOKSA-N	1	0	356.470	1.646	20	30		FDEDRO
CC[NH2+]CCNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000418318567	795778342	/nfs/dbraw/zinc/77/83/42/795778342.db2.gz	ABWLEIHAOIJULQ-UHFFFAOYSA-N	1	0	358.402	1.247	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCO[C@H]3CC)C2)nn1	ZINC001105288103	795818597	/nfs/dbraw/zinc/81/85/97/795818597.db2.gz	DFFSCNQIQCNRFA-OLMNPRSZSA-N	1	0	361.490	1.921	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NC[C@@H]([NH3+])c3ccccc3)CC2)nc1	ZINC000418446354	795931974	/nfs/dbraw/zinc/93/19/74/795931974.db2.gz	IBAKEIZRGWDFFN-QGZVFWFLSA-N	1	0	350.426	1.485	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)NC[C@@H]([NH3+])c3ccccc3)C2)nc1	ZINC000418453380	795941476	/nfs/dbraw/zinc/94/14/76/795941476.db2.gz	PBMVJHHQPUFBSA-IAGOWNOFSA-N	1	0	351.410	1.816	20	30		FDEDRO
C=CCC1(C(=O)N(CCO)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1	ZINC001058733065	796119911	/nfs/dbraw/zinc/11/99/11/796119911.db2.gz	ZDRVUTMCDCCQTQ-HZPDHXFCSA-N	1	0	351.491	1.010	20	30		FDEDRO
C=CCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C2)nn1	ZINC001105332155	796183539	/nfs/dbraw/zinc/18/35/39/796183539.db2.gz	YURZHDOJFBALQP-ZWKOTPCHSA-N	1	0	369.473	1.254	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]32)nc1	ZINC000974669835	800025691	/nfs/dbraw/zinc/02/56/91/800025691.db2.gz	SUONUETYLWCAQT-BPQIPLTHSA-N	1	0	354.454	1.076	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@@H](C4CC4)[NH+](C)C)C[C@H]32)nc1	ZINC000974680284	800061822	/nfs/dbraw/zinc/06/18/22/800061822.db2.gz	PHJXIWNEKYKDHW-BHIYHBOVSA-N	1	0	366.465	1.076	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]21	ZINC000974687824	800074368	/nfs/dbraw/zinc/07/43/68/800074368.db2.gz	HRWUTKQDRSDVPO-HSALFYBXSA-N	1	0	365.477	1.364	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC001026894520	800129594	/nfs/dbraw/zinc/12/95/94/800129594.db2.gz	HVIDXMDYMKURBL-JOQOYGCGSA-N	1	0	361.417	1.439	20	30		FDEDRO
CC(C)(C(=O)N1C[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21)[NH+]1CCCC1	ZINC000974712739	800154672	/nfs/dbraw/zinc/15/46/72/800154672.db2.gz	DXHJUQASTGMAAB-NVXWUHKLSA-N	1	0	369.469	1.434	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cccc(C#N)c2)C1	ZINC001027889113	806817640	/nfs/dbraw/zinc/81/76/40/806817640.db2.gz	KJKNIVVWTXZRBA-FHLIZLRMSA-N	1	0	354.454	1.554	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)s1	ZINC001026963332	800322022	/nfs/dbraw/zinc/32/20/22/800322022.db2.gz	JVDBWJVSLRWAQY-XTENKEOPSA-N	1	0	357.479	1.981	20	30		FDEDRO
C=C(C)Cn1c(-c2ccc(=O)n(C)c2)nnc1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1	ZINC000909344933	800546383	/nfs/dbraw/zinc/54/63/83/800546383.db2.gz	RBNHJEZWQDYREW-DOTOQJQBSA-N	1	0	368.485	1.750	20	30		FDEDRO
C=CC[C@@]1(C(=O)N[C@@H](C)c2cccc(S(=O)(=O)NC)c2)CCC[NH2+]1	ZINC000662565551	806846118	/nfs/dbraw/zinc/84/61/18/806846118.db2.gz	DEMQELMPQGOVDW-GUYCJALGSA-N	1	0	351.472	1.470	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)C#CC4CC4)C[C@H]32)CC1	ZINC000975000908	800666887	/nfs/dbraw/zinc/66/68/87/800666887.db2.gz	VWECPABUOQWLAF-RTBURBONSA-N	1	0	357.498	1.580	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2cncc(OC)n2)CC1(C)C	ZINC000975058262	800801600	/nfs/dbraw/zinc/80/16/00/800801600.db2.gz	RBPPAQLGASUANO-OWCLPIDISA-N	1	0	360.458	1.403	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000975213676	801008940	/nfs/dbraw/zinc/00/89/40/801008940.db2.gz	LHDSSPQMCGQLCP-CKEIUWERSA-N	1	0	357.458	1.195	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000975219060	801017716	/nfs/dbraw/zinc/01/77/16/801017716.db2.gz	ICCKVQCECMVJMC-UWWQBHOKSA-N	1	0	371.485	1.585	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@H]3C2)CC[N@@H+]1C	ZINC000975737353	802173084	/nfs/dbraw/zinc/17/30/84/802173084.db2.gz	NAJALYFJEOTHBB-VUNQQRPYSA-N	1	0	369.469	1.290	20	30		FDEDRO
C=CC[C@]1(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)CCC[NH2+]1	ZINC000662696375	806969308	/nfs/dbraw/zinc/96/93/08/806969308.db2.gz	YIDJPBFEVMPHNP-GOSISDBHSA-N	1	0	363.483	1.558	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C1	ZINC000975767537	802264535	/nfs/dbraw/zinc/26/45/35/802264535.db2.gz	JVYDMUZLNBZKLA-LNLFQRSKSA-N	1	0	370.497	1.689	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2	ZINC000660996951	802335039	/nfs/dbraw/zinc/33/50/39/802335039.db2.gz	PYJAHBQLUQYNGB-SFHVURJKSA-N	1	0	370.497	1.890	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@H]2C1	ZINC000975790477	802344749	/nfs/dbraw/zinc/34/47/49/802344749.db2.gz	YCUPZYMDGUZPEC-QGTPRVQTSA-N	1	0	369.469	1.434	20	30		FDEDRO
CC[C@@H](C(=O)N1CC[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@H]2C1)[NH+](C)C	ZINC000975820702	802517855	/nfs/dbraw/zinc/51/78/55/802517855.db2.gz	NUYAPOVTEOVSCV-JQFCIGGWSA-N	1	0	357.458	1.290	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]3CCN(C(=O)C#CC4CC4)[C@H]3C2)C1	ZINC000975900959	802665998	/nfs/dbraw/zinc/66/59/98/802665998.db2.gz	QOFWHLIMOAMEJC-UFYCRDLUSA-N	1	0	371.525	1.971	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]2CCN(C(=O)Cc3cnc[nH]3)C[C@@H]21	ZINC000976095665	802953509	/nfs/dbraw/zinc/95/35/09/802953509.db2.gz	GBGQWWZMVDARFK-RANZSIQMSA-N	1	0	372.469	1.383	20	30		FDEDRO
O=C(N1CCN(CC(F)(F)C(F)F)CC1)[C@@]1(C(F)(F)F)CC[NH2+]C1	ZINC000662737313	802975356	/nfs/dbraw/zinc/97/53/56/802975356.db2.gz	XWGGIXJZGKOEPR-LLVKDONJSA-N	1	0	365.293	1.573	20	30		FDEDRO
C=CCCOCC(=O)N(C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001067542470	803137231	/nfs/dbraw/zinc/13/72/31/803137231.db2.gz	NKAIUAUCCFZRKC-DLBZAZTESA-N	1	0	353.507	1.616	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1	ZINC000423084212	814957381	/nfs/dbraw/zinc/95/73/81/814957381.db2.gz	HSENKJPOOFAADT-SFHVURJKSA-N	1	0	354.454	1.365	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1	ZINC000423134592	814978513	/nfs/dbraw/zinc/97/85/13/814978513.db2.gz	XBGRKVFTOKIINN-NRFANRHFSA-N	1	0	368.481	1.899	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1	ZINC000423171723	814987596	/nfs/dbraw/zinc/98/75/96/814987596.db2.gz	PSWPJNNEBHIWIT-IAGOWNOFSA-N	1	0	357.454	1.278	20	30		FDEDRO
C=CCN(Cc1ccccc1F)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1	ZINC000423190430	814995898	/nfs/dbraw/zinc/99/58/98/814995898.db2.gz	SGEOFAFIDNAFPO-ZVZYQTTQSA-N	1	0	359.445	1.926	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC(CC[NH2+]C)CC1	ZINC000423190843	814996222	/nfs/dbraw/zinc/99/62/22/814996222.db2.gz	RQIXEZAFMWVROJ-UHFFFAOYSA-N	1	0	368.481	1.921	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1	ZINC000423217949	815006121	/nfs/dbraw/zinc/00/61/21/815006121.db2.gz	SWKZFUIIJZBWLC-GOEBONIOSA-N	1	0	374.441	1.553	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1	ZINC000423245010	815017570	/nfs/dbraw/zinc/01/75/70/815017570.db2.gz	IJMUYGIVFNIHES-OAHLLOKOSA-N	1	0	372.469	1.119	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]2CN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)cn1	ZINC000977805713	804968764	/nfs/dbraw/zinc/96/87/64/804968764.db2.gz	HZAZHBIDMPXLRP-GBESFXJTSA-N	1	0	368.481	1.466	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1	ZINC000423350376	815050680	/nfs/dbraw/zinc/05/06/80/815050680.db2.gz	ZDQFVVAPDJCKDZ-MSOLQXFVSA-N	1	0	365.518	1.936	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@H]21	ZINC000978170446	805268906	/nfs/dbraw/zinc/26/89/06/805268906.db2.gz	WDEPFHMQNYQTPB-XKRYSZRTSA-N	1	0	370.493	1.954	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@H]32)C1	ZINC000978188092	805276322	/nfs/dbraw/zinc/27/63/22/805276322.db2.gz	ZZMCOGQOTYNAPP-QSGLGXSPSA-N	1	0	366.465	1.267	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2OCC[C@H]2C)C[C@H]1c1ccccc1	ZINC001211676075	805282526	/nfs/dbraw/zinc/28/25/26/805282526.db2.gz	BTQFIVBYZSPVJU-QEEHTWDDSA-N	1	0	371.481	1.298	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCO[C@H]3c3ccnn3CC)[C@@H]2C1	ZINC000978279052	805332565	/nfs/dbraw/zinc/33/25/65/805332565.db2.gz	GKPRULJCYFHRNT-ZQOJQMTGSA-N	1	0	356.470	1.298	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1ccn2c[nH+]cc2c1	ZINC000978422356	805453780	/nfs/dbraw/zinc/45/37/80/805453780.db2.gz	SSTKIUJLLCHZRC-JQHSSLGASA-N	1	0	368.437	1.598	20	30		FDEDRO
C#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1	ZINC001087430700	807135484	/nfs/dbraw/zinc/13/54/84/807135484.db2.gz	CVAGCJMHIRXTOU-VBSBHUPXSA-N	1	0	355.482	1.313	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2	ZINC000423531342	815104169	/nfs/dbraw/zinc/10/41/69/815104169.db2.gz	SMEFYQFMALWIGP-FCGDIQPGSA-N	1	0	366.465	1.638	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C2CC2)cc1	ZINC000423572989	815141943	/nfs/dbraw/zinc/14/19/43/815141943.db2.gz	QMTICSLNAJMWCJ-NRFANRHFSA-N	1	0	366.465	1.651	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1	ZINC000163036795	807786281	/nfs/dbraw/zinc/78/62/81/807786281.db2.gz	ATHNLRCLJVHEOT-AWEZNQCLSA-N	1	0	360.389	1.363	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CC(=O)NCC(F)(F)F)C[C@H]1c1ccccc1	ZINC001211698379	807790684	/nfs/dbraw/zinc/79/06/84/807790684.db2.gz	LMAVLEOOVSXMQD-LSDHHAIUSA-N	1	0	369.387	1.825	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@H]3CC3(F)F)C2)CC1	ZINC000981544023	808113877	/nfs/dbraw/zinc/11/38/77/808113877.db2.gz	AQHLNMJFOIPFPL-NUEKZKHPSA-N	1	0	367.440	1.388	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1	ZINC000981549203	808134360	/nfs/dbraw/zinc/13/43/60/808134360.db2.gz	QVSCEYNCDMYZDS-YXJHDRRASA-N	1	0	371.485	1.775	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1	ZINC000279035486	808142778	/nfs/dbraw/zinc/14/27/78/808142778.db2.gz	NYUIMGFVFJYVCP-QZTJIDSGSA-N	1	0	359.470	1.575	20	30		FDEDRO
COC[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1CCCO1	ZINC000279071989	808270893	/nfs/dbraw/zinc/27/08/93/808270893.db2.gz	MUSONBJXBSMNJJ-IAGOWNOFSA-N	1	0	369.425	1.466	20	30		FDEDRO
COC(CN(CCCO)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)OC	ZINC000279093207	808336135	/nfs/dbraw/zinc/33/61/35/808336135.db2.gz	NXGCTWUJJAVDMK-KRWDZBQOSA-N	1	0	361.442	1.357	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)CCOCc1ccc(C#N)cc1	ZINC000423701848	815201040	/nfs/dbraw/zinc/20/10/40/815201040.db2.gz	XIKPHCBEQPFVNS-MAUKXSAKSA-N	1	0	372.469	1.262	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)nn2)C[C@H]1c1ccccc1	ZINC001211700785	808470184	/nfs/dbraw/zinc/47/01/84/808470184.db2.gz	VJIYYQBOVOHJIB-FUHWJXTLSA-N	1	0	350.422	1.706	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H](COC)[C@H]2CCCO2)c(OC)c1	ZINC000279153977	808509806	/nfs/dbraw/zinc/50/98/06/808509806.db2.gz	ZAOIXLXRGIMNFN-FGTMMUONSA-N	1	0	365.470	1.947	20	30		FDEDRO
CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCO[C@H]3c3cnn(C)c3)C2)C1	ZINC000981820539	808555281	/nfs/dbraw/zinc/55/52/81/808555281.db2.gz	DEOAFBYTWIYJMQ-MOPGFXCFSA-N	1	0	370.497	1.836	20	30		FDEDRO
Cc1cc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n(C)n1	ZINC000504375270	815223914	/nfs/dbraw/zinc/22/39/14/815223914.db2.gz	UMBMQZIQXKLPKS-UHFFFAOYSA-N	1	0	354.458	1.874	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2nnn(C)n2)C1	ZINC001087434927	808709021	/nfs/dbraw/zinc/70/90/21/808709021.db2.gz	MUCWUKIBHKAQBS-IAGOWNOFSA-N	1	0	354.458	1.764	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1	ZINC001087435534	808786537	/nfs/dbraw/zinc/78/65/37/808786537.db2.gz	TWKCGKIHEHFFBU-GUDVDZBRSA-N	1	0	353.466	1.605	20	30		FDEDRO
C#C[C@H]([NH2+]C1CCN(CCNC(=O)OC(C)(C)C)CC1)[C@@H]1CCCO1	ZINC000893676863	808838857	/nfs/dbraw/zinc/83/88/57/808838857.db2.gz	PCNOSBBQSZJHGQ-IRXDYDNUSA-N	1	0	351.491	1.746	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1	ZINC001087436880	808911952	/nfs/dbraw/zinc/91/19/52/808911952.db2.gz	PROUTWIBFCHBBE-VQIMIIECSA-N	1	0	364.449	1.725	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCN1CCCC1=O	ZINC001028193167	808955756	/nfs/dbraw/zinc/95/57/56/808955756.db2.gz	RCOTWVAMVVMUHI-AOIWGVFYSA-N	1	0	363.502	1.561	20	30		FDEDRO
C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1	ZINC000279496610	809029504	/nfs/dbraw/zinc/02/95/04/809029504.db2.gz	VMMMVWZEVFJAJS-HNNXBMFYSA-N	1	0	359.474	1.996	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(Cc3cc(C#N)ccc3F)C[C@H]21	ZINC001075613566	809053125	/nfs/dbraw/zinc/05/31/25/809053125.db2.gz	HKKRCHDNOAPCTO-KFKAGJAMSA-N	1	0	356.445	1.824	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2CCN(C(N)=O)CC2)C[C@H]1c1ccccc1	ZINC001211720663	809271285	/nfs/dbraw/zinc/27/12/85/809271285.db2.gz	MNAGNPNNXUGYFE-RBUKOAKNSA-N	1	0	368.481	1.385	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)CC1	ZINC000366250013	809335964	/nfs/dbraw/zinc/33/59/64/809335964.db2.gz	QLJRUEIMCWUZRH-UHFFFAOYSA-N	1	0	368.485	1.802	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)C(C)C)C[C@H]1c1ccccc1	ZINC001211723954	809337170	/nfs/dbraw/zinc/33/71/70/809337170.db2.gz	CLFDLDZLVNYBJF-DLBZAZTESA-N	1	0	350.484	1.580	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)C(C)C)C[C@H]1c1ccccc1	ZINC001211724236	809342756	/nfs/dbraw/zinc/34/27/56/809342756.db2.gz	WBJFNLILFQUXHU-ZWKOTPCHSA-N	1	0	362.495	1.417	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)CCC)C[C@H]1c1ccccc1	ZINC001211724271	809344095	/nfs/dbraw/zinc/34/40/95/809344095.db2.gz	YPDWFYOZDCDTSH-ZWKOTPCHSA-N	1	0	362.495	1.419	20	30		FDEDRO
COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)NCC(C)(C)CC#N)cc1	ZINC000418975399	809356973	/nfs/dbraw/zinc/35/69/73/809356973.db2.gz	SRJZZJOKKVVGLI-DLBZAZTESA-N	1	0	372.469	1.313	20	30		FDEDRO
C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1	ZINC000424008568	815291760	/nfs/dbraw/zinc/29/17/60/815291760.db2.gz	HGGZBPFWBTVFNY-OAHLLOKOSA-N	1	0	371.441	1.788	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1	ZINC000261680532	809513985	/nfs/dbraw/zinc/51/39/85/809513985.db2.gz	QMXBSWZDWKIOQO-NNXHMXCWSA-N	1	0	362.518	1.756	20	30		FDEDRO
[NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000419111303	809582532	/nfs/dbraw/zinc/58/25/32/809582532.db2.gz	IQSNXZQVUXRYQR-DZGCQCFKSA-N	1	0	367.371	1.417	20	30		FDEDRO
C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000419112321	809583867	/nfs/dbraw/zinc/58/38/67/809583867.db2.gz	JWNRPFBVLNHVMO-TZMCWYRMSA-N	1	0	367.371	1.369	20	30		FDEDRO
C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000419112319	809583868	/nfs/dbraw/zinc/58/38/68/809583868.db2.gz	JWNRPFBVLNHVMO-JSGCOSHPSA-N	1	0	367.371	1.369	20	30		FDEDRO
[NH3+]C1CCC(NC(=O)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1	ZINC000419113244	809585115	/nfs/dbraw/zinc/58/51/15/809585115.db2.gz	LEGJAKYAUYOGHP-UHFFFAOYSA-N	1	0	367.371	1.559	20	30		FDEDRO
C[NH+]=C(NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)NC1CC1	ZINC000261687708	809604030	/nfs/dbraw/zinc/60/40/30/809604030.db2.gz	ATRVSPUANRWMGI-LJQANCHMSA-N	1	0	355.442	1.739	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)NC1CCN(C(=O)C2CC2)CC1	ZINC000261688315	809639985	/nfs/dbraw/zinc/63/99/85/809639985.db2.gz	RMOJTXVWTUWLDQ-RCCFBDPRSA-N	1	0	374.529	1.900	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)CC)C[C@H]1c1ccccc1	ZINC001211729575	809674206	/nfs/dbraw/zinc/67/42/06/809674206.db2.gz	CPRBRIMJJGKUBY-ZWKOTPCHSA-N	1	0	364.511	1.972	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1	ZINC000424106147	815311685	/nfs/dbraw/zinc/31/16/85/815311685.db2.gz	LQEDULZVAGMPMV-IRXDYDNUSA-N	1	0	358.442	1.233	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc(C(N)=O)n2)C[C@H]1c1ccccc1	ZINC001211732539	809812446	/nfs/dbraw/zinc/81/24/46/809812446.db2.gz	MUSQGFRMBKWMFX-QFBILLFUSA-N	1	0	362.433	1.402	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1CCOC[C@@H]1c1noc(-c2ccccc2)n1	ZINC000424186962	815324170	/nfs/dbraw/zinc/32/41/70/815324170.db2.gz	IIYWBWRJBKSHLP-LSDHHAIUSA-N	1	0	355.398	1.658	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)nn1	ZINC000424158882	815320822	/nfs/dbraw/zinc/32/08/22/815320822.db2.gz	UNWVUNMBYQOCTN-DLBZAZTESA-N	1	0	355.442	1.738	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N1CCC(C#N)CC1	ZINC000410736435	809902987	/nfs/dbraw/zinc/90/29/87/809902987.db2.gz	NIHZKHCQXSDWBM-KRWDZBQOSA-N	1	0	368.481	1.872	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)COCc2nccn2C)C[C@H]1C(F)(F)F	ZINC001112119396	809978450	/nfs/dbraw/zinc/97/84/50/809978450.db2.gz	SZNRYKIECSYARX-CHWSQXEVSA-N	1	0	360.380	1.492	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCC(=O)N2)C1	ZINC001087453805	810039879	/nfs/dbraw/zinc/03/98/79/810039879.db2.gz	MMCHPTLCOOJTHE-KZNAEPCWSA-N	1	0	357.429	1.402	20	30		FDEDRO
C=CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2COCCN2C)C1	ZINC001087454124	810042480	/nfs/dbraw/zinc/04/24/80/810042480.db2.gz	CVTUTUVMLRWANE-QRVBRYPASA-N	1	0	361.461	1.616	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2COC(=O)N2)C1	ZINC001087454908	810053775	/nfs/dbraw/zinc/05/37/75/810053775.db2.gz	PTWJGUAWEIGHMX-ZACQAIPSSA-N	1	0	361.417	1.784	20	30		FDEDRO
Cc1cc(C[NH3+])cc(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1	ZINC000424442286	815354924	/nfs/dbraw/zinc/35/49/24/815354924.db2.gz	YBMDZJYNUQOODJ-CQSZACIVSA-N	1	0	365.441	1.858	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@]2(C)CCNC2=O)C1	ZINC001087458217	810262418	/nfs/dbraw/zinc/26/24/18/810262418.db2.gz	PYUQANBTZTZGGF-DBXWQHBBSA-N	1	0	371.456	1.649	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)c1ccc(C#N)cc1	ZINC000419277366	810299677	/nfs/dbraw/zinc/29/96/77/810299677.db2.gz	GKZKRZLSNFOMDK-ZOCIIQOWSA-N	1	0	362.433	1.689	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)NCCCC[NH+]1CCN(CCO)CC1	ZINC000512852833	810324087	/nfs/dbraw/zinc/32/40/87/810324087.db2.gz	QZWIMZNXRQADJV-UHFFFAOYSA-N	1	0	373.501	1.090	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](CC(=O)NC3CC3)C[C@]2(C)C1	ZINC000982573673	810403551	/nfs/dbraw/zinc/40/35/51/810403551.db2.gz	CUTMRSAWHNPBQO-GJJHYRHESA-N	1	0	361.486	1.027	20	30		FDEDRO
N#Cc1ccc(N2C[C@@]3(COCC[N@@H+]([C@H]4C[C@H]5C[C@H]5C4)C3)OCC2=O)cc1	ZINC001167929663	810823794	/nfs/dbraw/zinc/82/37/94/810823794.db2.gz	ZCFOBKZMTAKRTM-DIJFTKHXSA-N	1	0	367.449	1.791	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cscc4C)[C@@H]3C2)C1=O	ZINC001075659884	810904136	/nfs/dbraw/zinc/90/41/36/810904136.db2.gz	TXABWBBYKYCKAK-USXIJHARSA-N	1	0	359.495	1.990	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(CO)cc4)C[C@H]32)c1	ZINC001075658696	810909455	/nfs/dbraw/zinc/90/94/55/810909455.db2.gz	OMKOEUSMKHXCPY-PKOBYXMFSA-N	1	0	350.422	1.725	20	30		FDEDRO
C=CCCn1cc(C(=O)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)nn1	ZINC000424641897	815407943	/nfs/dbraw/zinc/40/79/43/815407943.db2.gz	CVGWNLOFCCZGCB-UHFFFAOYSA-N	1	0	370.457	1.076	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCC3(F)F)C[C@@H]2O)c1	ZINC001083390207	811176564	/nfs/dbraw/zinc/17/65/64/811176564.db2.gz	GWPWBKYHOKJLST-CFVMTHIKSA-N	1	0	352.385	1.487	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCC(F)(F)C3)C[C@@H]2O)c1	ZINC001083392563	811207480	/nfs/dbraw/zinc/20/74/80/811207480.db2.gz	OMGKRSPUQOXDNJ-GLQYFDAESA-N	1	0	352.385	1.487	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC000937351479	811257414	/nfs/dbraw/zinc/25/74/14/811257414.db2.gz	YURKZYWOKHBIKQ-VNQPRFMTSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1	ZINC000982815637	811268617	/nfs/dbraw/zinc/26/86/17/811268617.db2.gz	AEAJGEZKINZCNI-BBWFWOEESA-N	1	0	361.486	1.028	20	30		FDEDRO
C[NH+]=C(NCc1nnc2ccc(C(F)(F)F)cn21)N(C)C[C@@H]1CCOC1	ZINC000261696321	811300098	/nfs/dbraw/zinc/30/00/98/811300098.db2.gz	SKZFUYMAQSPJQF-NSHDSACASA-N	1	0	370.379	1.792	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(O)c(F)c1)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261715444	811303668	/nfs/dbraw/zinc/30/36/68/811303668.db2.gz	KJUWKSGULZMEMG-UHFFFAOYSA-N	1	0	374.420	1.079	20	30		FDEDRO
C[NH+]=C(NCc1cccc(N(C)C)n1)N1CCO[C@@H](c2cnn(C)c2)C1	ZINC000261815530	811325465	/nfs/dbraw/zinc/32/54/65/811325465.db2.gz	TXKZFKKGZSZDCA-MRXNPFEDSA-N	1	0	357.462	1.030	20	30		FDEDRO
C[NH+]=C(NCC(=O)N1CCCc2ccccc21)N1CCC[C@@H](CC(N)=O)C1	ZINC000261838527	811330043	/nfs/dbraw/zinc/33/00/43/811330043.db2.gz	WHWZFBXHHQTDSB-HNNXBMFYSA-N	1	0	371.485	1.129	20	30		FDEDRO
C[NH+]=C(NCc1nnc(C)n1C)N[C@@H]1CCN(c2ccccc2OC)C1	ZINC000261942691	811348995	/nfs/dbraw/zinc/34/89/95/811348995.db2.gz	DWLGIUYDVLRXQJ-CQSZACIVSA-N	1	0	357.462	1.076	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCC2)N(C)Cc1nc(-c2ccccc2)c[nH]1	ZINC000261949606	811351166	/nfs/dbraw/zinc/35/11/66/811351166.db2.gz	GYJLEEJMYSIQPP-UHFFFAOYSA-N	1	0	364.457	1.822	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1	ZINC001087464974	811401057	/nfs/dbraw/zinc/40/10/57/811401057.db2.gz	OXLXUHYGBTYMQY-BHIYHBOVSA-N	1	0	371.456	1.601	20	30		FDEDRO
[NH2+]=C(NCCc1nc2ccccc2[nH]1)N1CCN(c2ncccn2)CC1	ZINC000262216334	811414783	/nfs/dbraw/zinc/41/47/83/811414783.db2.gz	FIJOQXTZZUDOEP-UHFFFAOYSA-N	1	0	350.430	1.032	20	30		FDEDRO
[NH2+]=C(NCc1coc(-c2cccs2)n1)N1CCN(c2ncccn2)CC1	ZINC000262300413	811436117	/nfs/dbraw/zinc/43/61/17/811436117.db2.gz	NWDYNBKCSIYXPK-UHFFFAOYSA-N	1	0	369.454	1.830	20	30		FDEDRO
CN(C)C(=O)C[NH+]=C(NCc1cccs1)N1CC[C@H](c2cnn(C)c2)C1	ZINC000262305581	811437025	/nfs/dbraw/zinc/43/70/25/811437025.db2.gz	OOIQERFPDXKGCW-AWEZNQCLSA-N	1	0	374.514	1.505	20	30		FDEDRO
[NH2+]=C(NCCc1ccccc1[N+](=O)[O-])N1CCN(c2ncccn2)CC1	ZINC000262463009	811472836	/nfs/dbraw/zinc/47/28/36/811472836.db2.gz	XUJSTWYCUQXDSN-UHFFFAOYSA-N	1	0	355.402	1.064	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1	ZINC001028604653	811502255	/nfs/dbraw/zinc/50/22/55/811502255.db2.gz	DPZIOWHEJYNXCO-YEWWUXTCSA-N	1	0	361.417	1.439	20	30		FDEDRO
C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cc(C#N)ccc2Cl)cn1	ZINC000513450009	811524166	/nfs/dbraw/zinc/52/41/66/811524166.db2.gz	FDMUZWLUKDYACZ-UHFFFAOYSA-N	1	0	374.832	1.338	20	30		FDEDRO
C[NH+]=C(NCc1cccc(-n2cncn2)c1)N[C@H]1CCCn2nc(C)nc21	ZINC000262751332	811545851	/nfs/dbraw/zinc/54/58/51/811545851.db2.gz	BZZDLRILCLFYLQ-INIZCTEOSA-N	1	0	365.445	1.367	20	30		FDEDRO
C[NH+]=C(NC[C@@H](O)C1CCCCC1)N[C@H]1CCCN(c2ncccn2)C1	ZINC000262767424	811548462	/nfs/dbraw/zinc/54/84/62/811548462.db2.gz	GNWVIPVNOXZMFW-DLBZAZTESA-N	1	0	360.506	1.552	20	30		FDEDRO
C[NH2+]CCN(C)C(=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1	ZINC000419644016	812070341	/nfs/dbraw/zinc/07/03/41/812070341.db2.gz	OSFIFGSKFHPBHZ-UHFFFAOYSA-N	1	0	350.422	1.519	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1ccc(F)c(F)c1	ZINC000419673446	812084898	/nfs/dbraw/zinc/08/48/98/812084898.db2.gz	HKDAAHPHYGVIPZ-PYTWLRIVSA-N	1	0	363.408	1.894	20	30		FDEDRO
N#Cc1cccc(CCNC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)c1	ZINC000419710841	812101489	/nfs/dbraw/zinc/10/14/89/812101489.db2.gz	REUWAARSOIGECR-RBUKOAKNSA-N	1	0	368.481	1.598	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1	ZINC000419932955	812303793	/nfs/dbraw/zinc/30/37/93/812303793.db2.gz	DZFVCCQHTSIGAW-HNNXBMFYSA-N	1	0	374.441	1.615	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000434414346	815563133	/nfs/dbraw/zinc/56/31/33/815563133.db2.gz	CFZFDQDITVNOTA-QGZVFWFLSA-N	1	0	361.490	1.309	20	30		FDEDRO
C[NH+]1CCN(CCNC(=O)c2cn(CCCC#N)c3ccccc23)CC1	ZINC000434419959	815564205	/nfs/dbraw/zinc/56/42/05/815564205.db2.gz	CILZOUOJTIKDRX-UHFFFAOYSA-N	1	0	353.470	1.922	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C	ZINC000420093020	813469172	/nfs/dbraw/zinc/46/91/72/813469172.db2.gz	CNFOZZHEWKNYAZ-CJNGLKHVSA-N	1	0	360.414	1.224	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC[NH2+]1	ZINC000420119854	813480882	/nfs/dbraw/zinc/48/08/82/813480882.db2.gz	JMSDLGUBEMVXTF-VDHUWJSZSA-N	1	0	354.454	1.541	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)C(=O)N[C@H]3CC[C@H](C[NH3+])C3)CC2)cc1	ZINC000420205508	813537224	/nfs/dbraw/zinc/53/72/24/813537224.db2.gz	PITBJWWESIHJTD-HOTGVXAUSA-N	1	0	370.453	1.172	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+][C@H](CC(N)=O)C3CCOCC3)CC2)cc1	ZINC000366695414	813812875	/nfs/dbraw/zinc/81/28/75/813812875.db2.gz	YEKJHFNABNNPLZ-HXUWFJFHSA-N	1	0	370.497	1.783	20	30		FDEDRO
C[NH+]=C(N[C@@H]1C[C@@H]1Cc1ccccc1)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261850208	814338007	/nfs/dbraw/zinc/33/80/07/814338007.db2.gz	XFLADQLZQVYMEB-FUHWJXTLSA-N	1	0	366.469	1.275	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C	ZINC000422149097	814436702	/nfs/dbraw/zinc/43/67/02/814436702.db2.gz	YJISCVMXTZJROB-SFHVURJKSA-N	1	0	354.454	1.625	20	30		FDEDRO
COc1ccc(N2CC[NH+](CCCNC(=O)NCCCC#N)CC2)cc1	ZINC000273607823	814797858	/nfs/dbraw/zinc/79/78/58/814797858.db2.gz	SPKKLFHIZZWZFL-UHFFFAOYSA-N	1	0	359.474	1.810	20	30		FDEDRO
CC[N@H+](CCO)CCNC(=O)c1cnn(CCC#N)c1-c1ccccc1	ZINC000430077776	815708692	/nfs/dbraw/zinc/70/86/92/815708692.db2.gz	QAVLIYSBSZZDCQ-UHFFFAOYSA-N	1	0	355.442	1.508	20	30		FDEDRO
COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1	ZINC000434720583	815716714	/nfs/dbraw/zinc/71/67/14/815716714.db2.gz	URYAPTDNJNPCFZ-WBVHZDCISA-N	1	0	372.469	1.750	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](CNC(=O)[C@H]2OCC[C@H]2C)C1	ZINC001028807258	815760386	/nfs/dbraw/zinc/76/03/86/815760386.db2.gz	FULXIUVDPIOKRS-OGWOLHLISA-N	1	0	357.454	1.930	20	30		FDEDRO
CC#CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1	ZINC001087465946	815878006	/nfs/dbraw/zinc/87/80/06/815878006.db2.gz	QVOXOQSKIUNXBR-GUDVDZBRSA-N	1	0	371.456	1.792	20	30		FDEDRO
N#CCc1ccc(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1	ZINC000514598901	815898294	/nfs/dbraw/zinc/89/82/94/815898294.db2.gz	FTCWBIQRFHINTI-RTBURBONSA-N	1	0	356.470	1.930	20	30		FDEDRO
C=CCC1(C(=O)N[C@H]2CC(=O)N(CC[N@@H+](C)CCOC)C2)CCCCC1	ZINC000425324416	815998036	/nfs/dbraw/zinc/99/80/36/815998036.db2.gz	WAMQVSINDNANCH-KRWDZBQOSA-N	1	0	365.518	1.808	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]Cc1ccc(Cn2ccccc2=O)cc1	ZINC000514855705	816014298	/nfs/dbraw/zinc/01/42/98/816014298.db2.gz	AIGDVYKTGDRXFW-LJQANCHMSA-N	1	0	354.454	1.193	20	30		FDEDRO
C[C@H](C#N)CN(C)C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1	ZINC000425405254	816161637	/nfs/dbraw/zinc/16/16/37/816161637.db2.gz	QWZUGGPLYJPSJW-BPQIPLTHSA-N	1	0	354.454	1.337	20	30		FDEDRO
C=CCn1cc(CNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)nn1	ZINC000425413616	816235593	/nfs/dbraw/zinc/23/55/93/816235593.db2.gz	DSBYUIHMZBEZIU-UHFFFAOYSA-N	1	0	355.446	1.323	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCN2CCCC2=O)C1	ZINC001028856906	816249113	/nfs/dbraw/zinc/24/91/13/816249113.db2.gz	QZUMUHWTAXZREW-AOIWGVFYSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCN(Cc2nn(CC)nc2C)C1	ZINC001028860566	816287840	/nfs/dbraw/zinc/28/78/40/816287840.db2.gz	ADRSSYZLMGOSHE-RYRKJORJSA-N	1	0	361.490	1.526	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN(Cc2nnc(C(C)C)[nH]2)C1	ZINC001028862247	816297397	/nfs/dbraw/zinc/29/73/97/816297397.db2.gz	OOZABMHMLVVSOA-ZOBUZTSGSA-N	1	0	361.490	1.847	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2)C1	ZINC001028861964	816304487	/nfs/dbraw/zinc/30/44/87/816304487.db2.gz	HQSHWZJQNIKTAA-WDSOQIARSA-N	1	0	371.481	1.705	20	30		FDEDRO
CCCn1c(N)c(C(=O)CN(C)[C@H](C)c2cccc(C#N)c2)c(=O)[nH]c1=O	ZINC000425533150	816468036	/nfs/dbraw/zinc/46/80/36/816468036.db2.gz	KMHIPKBUKQQESI-GFCCVEGCSA-N	1	0	369.425	1.688	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)cc1	ZINC000425544562	816507999	/nfs/dbraw/zinc/50/79/99/816507999.db2.gz	PVYSCBPDMNUMOG-ICSRJNTNSA-N	1	0	374.481	1.845	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)c1	ZINC000425547618	816513998	/nfs/dbraw/zinc/51/39/98/816513998.db2.gz	SWPUACQGGCWHJA-HXUWFJFHSA-N	1	0	371.481	1.722	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)N1CCc2ccc(C#N)cc21)[N@@H+]1CCCC[C@@H]1C	ZINC000516319580	816754708	/nfs/dbraw/zinc/75/47/08/816754708.db2.gz	CLQMGWMTAMSWMG-LSDHHAIUSA-N	1	0	354.454	1.826	20	30		FDEDRO
CC[NH+]=C(NCCc1nnc2n1CCCCC2)N1CC[C@]2(CCOC2)C1	ZINC000261944430	817103630	/nfs/dbraw/zinc/10/36/30/817103630.db2.gz	FKHHDFAELMGQMJ-IBGZPJMESA-N	1	0	360.506	1.625	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1	ZINC000425880827	817288090	/nfs/dbraw/zinc/28/80/90/817288090.db2.gz	CCNMJBVCZNXDAE-MHORFTMASA-N	1	0	357.454	1.255	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)cc2C1=O	ZINC000517366287	817411480	/nfs/dbraw/zinc/41/14/80/817411480.db2.gz	PZHQAMCOFVFZGH-IRXDYDNUSA-N	1	0	353.422	1.825	20	30		FDEDRO
C[NH+]1CCN(c2ccc(NC(=O)CNc3cccc(C#N)c3)cn2)CC1	ZINC000425967601	817515150	/nfs/dbraw/zinc/51/51/50/817515150.db2.gz	OUABDKBGILNLOW-UHFFFAOYSA-N	1	0	350.426	1.756	20	30		FDEDRO
CN1CCN(c2cc[nH+]cc2NC(=O)COc2ccccc2C#N)CC1	ZINC000517652693	817524420	/nfs/dbraw/zinc/52/44/20/817524420.db2.gz	QBHPYJDKPSQMKP-UHFFFAOYSA-N	1	0	351.410	1.723	20	30		FDEDRO
C[C@H]1CC[N@H+](C)CCN1C(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000473588457	817557886	/nfs/dbraw/zinc/55/78/86/817557886.db2.gz	BYGOGVHRDCWRKF-YJBOKZPZSA-N	1	0	354.454	1.602	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H](C)NC(=O)c2[nH]nc3ccccc32)CC1	ZINC000517998807	817666656	/nfs/dbraw/zinc/66/66/56/817666656.db2.gz	PLCWWUYFRGOWTA-CYBMUJFWSA-N	1	0	355.442	1.448	20	30		FDEDRO
C[NH+]=C(NCCNC(=O)Cc1cccc(F)c1)N1CC[C@@]2(CCOC2)C1	ZINC000261960972	817799877	/nfs/dbraw/zinc/79/98/77/817799877.db2.gz	KDBVZGZESTTYSK-LJQANCHMSA-N	1	0	362.449	1.172	20	30		FDEDRO
COC(=O)c1ccc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c(C#N)n1	ZINC000518564365	817926901	/nfs/dbraw/zinc/92/69/01/817926901.db2.gz	NJGOQDFGRSBKGJ-OAHLLOKOSA-N	1	0	358.442	1.821	20	30		FDEDRO
COC(=O)[C@@H]1[C@@H](C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1(F)F	ZINC000894556088	818176597	/nfs/dbraw/zinc/17/65/97/818176597.db2.gz	UHAYFORIBQJIAT-ILXRZTDVSA-N	1	0	363.364	1.303	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)c2nnc[nH]2)C1	ZINC001087477671	818470860	/nfs/dbraw/zinc/47/08/60/818470860.db2.gz	BEKTYJGUZUIRBD-HOCLYGCPSA-N	1	0	371.416	1.564	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1	ZINC000983698450	818600100	/nfs/dbraw/zinc/60/01/00/818600100.db2.gz	TYWWDELTXVIRLN-HFTRVMKXSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]C[C@H](O)CC(F)(F)F	ZINC001167985359	818743404	/nfs/dbraw/zinc/74/34/04/818743404.db2.gz	GBXBOCRXOAJHNM-RDBSUJKOSA-N	1	0	352.397	1.767	20	30		FDEDRO
C[C@H]([NH2+]Cc1ccc(C#N)s1)C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1	ZINC001029145215	818932345	/nfs/dbraw/zinc/93/23/45/818932345.db2.gz	UCBOXLZJFGNARU-XZJROXQQSA-N	1	0	360.483	1.458	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@@H](C)[NH2+]Cc2nnc(C)[nH]2)CC1	ZINC001029155954	818953098	/nfs/dbraw/zinc/95/30/98/818953098.db2.gz	JPDDWGDITLLANN-SKDZVZGDSA-N	1	0	361.490	1.811	20	30		FDEDRO
N#Cc1ccc(NC(=O)NCCCC[NH+]2CCN(CCO)CC2)cc1F	ZINC000519753118	819045452	/nfs/dbraw/zinc/04/54/52/819045452.db2.gz	DVODBNMLPVTENB-UHFFFAOYSA-N	1	0	363.437	1.209	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(=O)[nH]n2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087491566	819122862	/nfs/dbraw/zinc/12/28/62/819122862.db2.gz	FIEKDHJQZXMPHD-FUHWJXTLSA-N	1	0	350.422	1.817	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C(C)C)C[C@H]1C(F)(F)F	ZINC001112152213	819252726	/nfs/dbraw/zinc/25/27/26/819252726.db2.gz	NEWAEUJCRNFHPV-MCIONIFRSA-N	1	0	361.408	1.941	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]CCOC[C@@H]1CCCO1	ZINC001167990786	819396941	/nfs/dbraw/zinc/39/69/41/819396941.db2.gz	BXJLMAJKHCSFBK-BZSNNMDCSA-N	1	0	354.491	1.649	20	30		FDEDRO
CO[C@@H]1CC[C@@H]2OCCN(CC(=O)NCC(C)(C)N3CCOCC3)[C@@H]2C1	ZINC000328786358	819556716	/nfs/dbraw/zinc/55/67/16/819556716.db2.gz	OPHBVAXGTUULJI-ZACQAIPSSA-N	1	0	369.506	1.322	20	30		FDEDRO
C=C(Br)CN1C[C@@H]2CCN(C(=O)c3ccc(C)nn3)[C@@H]2C1	ZINC001075779468	819559595	/nfs/dbraw/zinc/55/95/95/819559595.db2.gz	LFHDSGANJJIHPG-GXTWGEPZSA-N	1	0	351.248	1.840	20	30		FDEDRO
C[C@H](CNC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1)C[NH+]1CCCC1	ZINC000328853817	819566947	/nfs/dbraw/zinc/56/69/47/819566947.db2.gz	JHPWMXDQMNHORY-IAGOWNOFSA-N	1	0	366.506	1.203	20	30		FDEDRO
O=C(NCCc1cnc(C2CC2)nc1)N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000328881710	819576153	/nfs/dbraw/zinc/57/61/53/819576153.db2.gz	WQETWHXZMXWZSG-INIZCTEOSA-N	1	0	359.474	1.465	20	30		FDEDRO
O=C(N[C@@H]1CCC(=O)N[C@@H]1C1CC1)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000328889963	819578795	/nfs/dbraw/zinc/57/87/95/819578795.db2.gz	RGYJJVJELGYTGH-YXJHDRRASA-N	1	0	364.490	1.842	20	30		FDEDRO
CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)C[C@H]1C	ZINC000328947893	819585950	/nfs/dbraw/zinc/58/59/50/819585950.db2.gz	BPRRADDCICDZCT-QLFBSQMISA-N	1	0	362.478	1.162	20	30		FDEDRO
Cn1c(=O)oc2ccc(C[N@@H+]3C[C@@H]4CCN(C(=O)C#CC5CC5)[C@@H]4C3)cc21	ZINC001075780587	819625295	/nfs/dbraw/zinc/62/52/95/819625295.db2.gz	PLJLYUWXHFBCTN-FUHWJXTLSA-N	1	0	365.433	1.578	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cn(CC(=O)OCC)nc1-c1cnn(C)c1	ZINC000895051835	819640961	/nfs/dbraw/zinc/64/09/61/819640961.db2.gz	KLKQGFYWNILHNM-YOEHRIQHSA-N	1	0	373.457	1.527	20	30		FDEDRO
COC(=O)c1cc(CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)oc1C	ZINC000331232426	819670217	/nfs/dbraw/zinc/67/02/17/819670217.db2.gz	RHWRTMVBZSCVOH-GFCCVEGCSA-N	1	0	367.446	1.566	20	30		FDEDRO
CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1	ZINC000331317696	819675596	/nfs/dbraw/zinc/67/55/96/819675596.db2.gz	YYRMCMVOVZNBDJ-CQSZACIVSA-N	1	0	360.458	1.662	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1C(=O)Cc3ccccc31)C2	ZINC001112536198	819735990	/nfs/dbraw/zinc/73/59/90/819735990.db2.gz	WDKVTGJVWCHEKY-AVRDEDQJSA-N	1	0	365.477	1.817	20	30		FDEDRO
CN(c1ccccc1CN1CCN(C(=O)CC#N)CC1)C1CC[NH+](C)CC1	ZINC000895066451	819847274	/nfs/dbraw/zinc/84/72/74/819847274.db2.gz	SINNLWGCCGOICL-UHFFFAOYSA-N	1	0	369.513	1.775	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(CC(C)C)nn2C)CC1	ZINC000077759531	819895346	/nfs/dbraw/zinc/89/53/46/819895346.db2.gz	IWPRGIMMFRTWGL-UHFFFAOYSA-N	1	0	361.490	1.714	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)CNc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)cc1	ZINC000520570010	820097430	/nfs/dbraw/zinc/09/74/30/820097430.db2.gz	GNBQIQIXUFEGKL-VQTJNVASSA-N	1	0	367.449	1.977	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)CNc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)cc1	ZINC000520570008	820097596	/nfs/dbraw/zinc/09/75/96/820097596.db2.gz	GNBQIQIXUFEGKL-PMACEKPBSA-N	1	0	367.449	1.977	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1	ZINC000983923577	820106024	/nfs/dbraw/zinc/10/60/24/820106024.db2.gz	OYXOREYBSBYXNA-RKVPGOIHSA-N	1	0	371.485	1.585	20	30		FDEDRO
Cc1ccc(CCC[N@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)cc1	ZINC001083413931	820146236	/nfs/dbraw/zinc/14/62/36/820146236.db2.gz	DIOBRXAUAMGIPO-MOPGFXCFSA-N	1	0	352.438	1.603	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2nc3cc(C)ccc3[nH]2)CC1	ZINC000520596087	820163655	/nfs/dbraw/zinc/16/36/55/820163655.db2.gz	QYMQAXMODUMBEP-UHFFFAOYSA-N	1	0	369.469	1.644	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cncnc3C)[C@H]2CC)C1=O	ZINC001087511697	820207499	/nfs/dbraw/zinc/20/74/99/820207499.db2.gz	BVTAYDKGRXPSSX-BBWFWOEESA-N	1	0	357.458	1.155	20	30		FDEDRO
CC#CC[C@@H](CO)[NH2+]C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1	ZINC000895098096	820299113	/nfs/dbraw/zinc/29/91/13/820299113.db2.gz	JJUOXSGDMVTUOK-CVEARBPZSA-N	1	0	367.490	1.114	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NC3CC[NH+](CC=C)CC3)cc2C1=O	ZINC000520683303	820370232	/nfs/dbraw/zinc/37/02/32/820370232.db2.gz	MSCDDQZSVRQJFI-UHFFFAOYSA-N	1	0	353.422	1.849	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O	ZINC000293960788	820518687	/nfs/dbraw/zinc/51/86/87/820518687.db2.gz	KXGLYKCLRWFBQF-IBGZPJMESA-N	1	0	354.454	1.286	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1CC(=O)N1CCCC[C@@H]1C	ZINC001087534573	820868189	/nfs/dbraw/zinc/86/81/89/820868189.db2.gz	BNFQUCCEFIZFPH-QILLFSRXSA-N	1	0	371.485	1.870	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000984120235	820996422	/nfs/dbraw/zinc/99/64/22/820996422.db2.gz	ZEYKAUDVUHDAEJ-KBRIMQKVSA-N	1	0	357.458	1.290	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCNC(=O)C2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087537924	821010761	/nfs/dbraw/zinc/01/07/61/821010761.db2.gz	XLQOEJFTYMVETH-OKZBNKHCSA-N	1	0	354.454	1.554	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1	ZINC000442140617	821065316	/nfs/dbraw/zinc/06/53/16/821065316.db2.gz	RVYWSAMEZMJKGS-UKRRQHHQSA-N	1	0	358.442	1.883	20	30		FDEDRO
O=C(c1ccccc1Cl)N1CCC([NH2+][C@H]2CCCN(O)C2=O)CC1	ZINC000895161894	821233102	/nfs/dbraw/zinc/23/31/02/821233102.db2.gz	IJKICCSVGMJLLK-HNNXBMFYSA-N	1	0	351.834	1.914	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc(C)ncn3)[C@H]2CC)C1=O	ZINC001087545143	821237253	/nfs/dbraw/zinc/23/72/53/821237253.db2.gz	UHYCVIVNMQPGPT-UAGQMJEPSA-N	1	0	357.458	1.155	20	30		FDEDRO
C[NH+]=C(NC[C@H](O)C1CCCCC1)N1CCN(Cc2cc(C)on2)CC1	ZINC000262162875	821242655	/nfs/dbraw/zinc/24/26/55/821242655.db2.gz	BIQCJDIQRMBWOC-SFHVURJKSA-N	1	0	363.506	1.617	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H](C)n2cncn2)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087547071	821276893	/nfs/dbraw/zinc/27/68/93/821276893.db2.gz	SNFCHOGRNHEAKJ-UHOFOFEASA-N	1	0	358.471	1.942	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccnc3c2ncn3C)C[C@H]1C(F)(F)F	ZINC001112165266	821500575	/nfs/dbraw/zinc/50/05/75/821500575.db2.gz	YUMXOSCAZVAPRN-CHWSQXEVSA-N	1	0	365.359	1.584	20	30		FDEDRO
N#Cc1ccccc1C[NH2+]CCCNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1	ZINC001168085719	828373249	/nfs/dbraw/zinc/37/32/49/828373249.db2.gz	LXAPRMMUFPZPIF-RTBURBONSA-N	1	0	367.453	1.456	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3c[nH]nc3CC)[C@H]2CC)C1=O	ZINC001087637155	821865463	/nfs/dbraw/zinc/86/54/63/821865463.db2.gz	BHTWWEQDODDWSG-GVDBMIGSSA-N	1	0	359.474	1.342	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@]2(C)CNC(=O)C2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087669267	821971762	/nfs/dbraw/zinc/97/17/62/821971762.db2.gz	XPPBTYMVNAMIOG-SQGPQFPESA-N	1	0	354.454	1.554	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC000984260118	821999767	/nfs/dbraw/zinc/99/97/67/821999767.db2.gz	MMCNVYSHCQOVDO-AYOQOUSVSA-N	1	0	368.481	1.466	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001087685572	822032950	/nfs/dbraw/zinc/03/29/50/822032950.db2.gz	SURVBSKWGDQRPR-FGTMMUONSA-N	1	0	370.453	1.194	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@]45C[C@H]4COC5)[C@@H]3C2)cc1	ZINC001075817803	822160478	/nfs/dbraw/zinc/16/04/78/822160478.db2.gz	NTIGSUXNKNICEF-NEOGFGCTSA-N	1	0	367.449	1.658	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3oc(C)nc3C)[C@@H]2CC)nn1	ZINC001087754124	822368620	/nfs/dbraw/zinc/36/86/20/822368620.db2.gz	PFKPDULZZLBJKF-GOEBONIOSA-N	1	0	358.446	1.852	20	30		FDEDRO
N#Cc1cccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1	ZINC000984370402	822448760	/nfs/dbraw/zinc/44/87/60/822448760.db2.gz	NCEMREODVHHWHA-VMJIZDNZSA-N	1	0	351.450	1.966	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCN3CCCC3=O)[C@@H]2CC)nc1	ZINC001087802216	822461983	/nfs/dbraw/zinc/46/19/83/822461983.db2.gz	DGEHXBZKUSZQHN-FUHWJXTLSA-N	1	0	354.454	1.268	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC000984440681	822548290	/nfs/dbraw/zinc/54/82/90/822548290.db2.gz	RBQGNHVAGBCLES-ATZDWAIDSA-N	1	0	368.481	1.466	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC000984443985	822551551	/nfs/dbraw/zinc/55/15/51/822551551.db2.gz	JOWJZXYTCRLCNX-KBAYOESNSA-N	1	0	368.481	1.466	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3cnc(C)cn3)[C@@H]2CC)CC1	ZINC001087840092	822558712	/nfs/dbraw/zinc/55/87/12/822558712.db2.gz	HMEPJDHSCWEKIX-VQTJNVASSA-N	1	0	369.513	1.599	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087850877	822600554	/nfs/dbraw/zinc/60/05/54/822600554.db2.gz	YYDZEDDKOBJTSC-FGTMMUONSA-N	1	0	367.449	1.060	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H](C)N2CCOCC2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087851785	822603380	/nfs/dbraw/zinc/60/33/80/822603380.db2.gz	PXWJXBWWNYXTGC-FFZOFVMBSA-N	1	0	370.497	1.748	20	30		FDEDRO
C[NH+](C)CCCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N	ZINC000895469886	822617561	/nfs/dbraw/zinc/61/75/61/822617561.db2.gz	MTQAPFGUZAZQQO-HVEKOLDVSA-N	1	0	364.490	1.841	20	30		FDEDRO
CN(CC(=O)N(CCC#N)CCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000474233069	822652803	/nfs/dbraw/zinc/65/28/03/822652803.db2.gz	XXLWVRVYFOQYMM-IBGZPJMESA-N	1	0	353.470	1.849	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000895690489	822699786	/nfs/dbraw/zinc/69/97/86/822699786.db2.gz	HHRGAXMVGPKBHS-OAHLLOKOSA-N	1	0	357.458	1.945	20	30		FDEDRO
C#CC[NH+]1CCC(Nc2ccc(S(N)(=O)=O)cc2C(F)(F)F)CC1	ZINC000895806925	822753640	/nfs/dbraw/zinc/75/36/40/822753640.db2.gz	FKMHYNLXWHEECD-UHFFFAOYSA-N	1	0	361.389	1.862	20	30		FDEDRO
Cc1c(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)cnn1CCC#N	ZINC000895908376	823756824	/nfs/dbraw/zinc/75/68/24/823756824.db2.gz	IMMFZUUTNHQPOC-UHFFFAOYSA-N	1	0	367.457	1.182	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C4CCC4)C[C@@H]3C2)CC1	ZINC000985610830	828571238	/nfs/dbraw/zinc/57/12/38/828571238.db2.gz	IFKRDFLFXRTJOO-MOPGFXCFSA-N	1	0	357.498	1.439	20	30		FDEDRO
Cc1c(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4C#N)CC[C@@H]3C2)nnn1C	ZINC001087918246	823837960	/nfs/dbraw/zinc/83/79/60/823837960.db2.gz	MGGMTNZJMHBJRT-MSOLQXFVSA-N	1	0	364.453	1.589	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[N@H+](CC(=O)N4CCCCC4)CC[C@@H]3C2)c1	ZINC001087925643	823938935	/nfs/dbraw/zinc/93/89/35/823938935.db2.gz	XFPYACFJAWKLKW-SJORKVTESA-N	1	0	369.469	1.293	20	30		FDEDRO
C=C[C@@](C)(O)Cc1nc(-c2ccc(C(=O)N3CCN(C)CC3)cc2)no1	ZINC000896022684	823942322	/nfs/dbraw/zinc/94/23/22/823942322.db2.gz	YVOSMHRFYDMZAT-LJQANCHMSA-N	1	0	356.426	1.604	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4CC(F)(F)C4)C[C@@H]3C2)C1=O	ZINC001087929405	823956807	/nfs/dbraw/zinc/95/68/07/823956807.db2.gz	JRWYJRXFFBAHRR-VNQPRFMTSA-N	1	0	367.440	1.599	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)CC[C@@H]2C1)n1cncn1	ZINC001087940394	824035928	/nfs/dbraw/zinc/03/59/28/824035928.db2.gz	HSRSHJALTXQPAU-ZNMIVQPWSA-N	1	0	370.482	1.753	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCc2scnc2C)C[C@H]1NC(=O)CSCC#N	ZINC001211886294	824068557	/nfs/dbraw/zinc/06/85/57/824068557.db2.gz	HQPADQCCNQNKRQ-CHWSQXEVSA-N	1	0	354.501	1.066	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4COC(=O)N4)C[C@@H]3C2)s1	ZINC001087952701	824122367	/nfs/dbraw/zinc/12/23/67/824122367.db2.gz	PTROANPYWLAJID-XUJVJEKNSA-N	1	0	360.439	1.008	20	30		FDEDRO
CC[N@@H+]1C[C@H](C)N(CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)C[C@@H]1C	ZINC000329013111	824533526	/nfs/dbraw/zinc/53/35/26/824533526.db2.gz	FEEDRSMMTNYTCV-STQMWFEESA-N	1	0	358.442	1.915	20	30		FDEDRO
COc1ccc(CNC(=O)CN2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)cc1OC	ZINC000329046762	824546269	/nfs/dbraw/zinc/54/62/69/824546269.db2.gz	VECFDCYEQWPPOL-JKSUJKDBSA-N	1	0	363.458	1.565	20	30		FDEDRO
[O-]C(NC1CC[NH+](C2CCCCC2)CC1)=[NH+][C@H]1COC[C@H]1n1ccnn1	ZINC000329062417	824551610	/nfs/dbraw/zinc/55/16/10/824551610.db2.gz	NWRSQIQYYMDIRV-DLBZAZTESA-N	1	0	362.478	1.519	20	30		FDEDRO
CO[C@@H]1C[C@@H](c2nnc(C3CC3)[nH]2)N(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1	ZINC000329086737	824569822	/nfs/dbraw/zinc/56/98/22/824569822.db2.gz	UUKUUDYRMOGIFH-MYPMTAMASA-N	1	0	362.478	1.841	20	30		FDEDRO
CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)N[C@@H]3CCO[C@H](C)C3)CC2)C1	ZINC000329091978	824575320	/nfs/dbraw/zinc/57/53/20/824575320.db2.gz	JUBKNACLPPKTOD-KURKYZTESA-N	1	0	368.522	1.195	20	30		FDEDRO
O=C(NC1CC[NH+](Cc2ccncc2)CC1)N[C@@H]1CCO[C@]2(CCOC2)C1	ZINC000329105350	824590627	/nfs/dbraw/zinc/59/06/27/824590627.db2.gz	HBGBIJPOKXZHFX-UYAOXDASSA-N	1	0	374.485	1.888	20	30		FDEDRO
C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)C1	ZINC000329120504	824610775	/nfs/dbraw/zinc/61/07/75/824610775.db2.gz	KFWRZEIWHQKLQU-FPCVCCKLSA-N	1	0	365.522	1.959	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2CCN(C(=O)c3ccccn3)CC2)CC1	ZINC000329161893	824638375	/nfs/dbraw/zinc/63/83/75/824638375.db2.gz	FOHYVECICUXIKE-UHFFFAOYSA-N	1	0	359.474	1.280	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCC[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC001059428147	824660479	/nfs/dbraw/zinc/66/04/79/824660479.db2.gz	UMHFGQXLTYGKIF-QILLFSRXSA-N	1	0	371.485	1.585	20	30		FDEDRO
CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(CC(=O)N2CCC[C@@H](NC(C)=O)C2)C1	ZINC000329196757	824661462	/nfs/dbraw/zinc/66/14/62/824661462.db2.gz	TWAKVVWAYKTUGB-SQNIBIBYSA-N	1	0	366.506	1.139	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2CCO[C@H](Cn3nc(C)nc3C)C2)CC1	ZINC000329198472	824661677	/nfs/dbraw/zinc/66/16/77/824661677.db2.gz	WQIZTNOCKVEVJP-KRWDZBQOSA-N	1	0	364.494	1.037	20	30		FDEDRO
CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)C1	ZINC000329206227	824665955	/nfs/dbraw/zinc/66/59/55/824665955.db2.gz	XIPVHIVZFDWXKS-JYJNAYRXSA-N	1	0	366.506	1.485	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)c3cc(OC(F)F)n(C)n3)CC2)C1=O	ZINC000329204936	824666397	/nfs/dbraw/zinc/66/63/97/824666397.db2.gz	XTQCLINCDRJTDV-LBPRGKRZSA-N	1	0	371.388	1.021	20	30		FDEDRO
O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)N1CCC2(CC1)CC(=O)C=CO2	ZINC000896609515	824718085	/nfs/dbraw/zinc/71/80/85/824718085.db2.gz	OSUGODCYQLAMPM-HZPDHXFCSA-N	1	0	365.499	1.614	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCN2CCNC(=O)C2)C1	ZINC000329294768	824719557	/nfs/dbraw/zinc/71/95/57/824719557.db2.gz	JVTDCYQMXUZBCD-IAGOWNOFSA-N	1	0	365.522	1.759	20	30		FDEDRO
Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCC(C)(CO)CC2)CCC[N@@H+]1C	ZINC000329315161	824731354	/nfs/dbraw/zinc/73/13/54/824731354.db2.gz	HFFMUJRLIGGPQO-DOTOQJQBSA-N	1	0	363.506	1.811	20	30		FDEDRO
Cn1nccc1[C@H]1[C@H](CNC(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)CCC[N@@H+]1C	ZINC000329350138	824749837	/nfs/dbraw/zinc/74/98/37/824749837.db2.gz	SVPJNXSZKHMLSM-FTAMUGHTSA-N	1	0	361.490	1.420	20	30		FDEDRO
Cc1nc([C@@H]2CCCN2C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)no1	ZINC000329397130	824770550	/nfs/dbraw/zinc/77/05/50/824770550.db2.gz	UVFCQNLXRJZODB-HOCLYGCPSA-N	1	0	363.462	1.930	20	30		FDEDRO
CNC(=O)[C@H]1CN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C[C@@H]1c1cnn(C)c1	ZINC000329481066	824828185	/nfs/dbraw/zinc/82/81/85/824828185.db2.gz	VSBWKCVWWCSPQX-ZACQAIPSSA-N	1	0	361.490	1.813	20	30		FDEDRO
CC[N@@H+]1CCCN(C(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)CC1	ZINC000329534369	824861331	/nfs/dbraw/zinc/86/13/31/824861331.db2.gz	YQGABDXLGBMUDA-FUHWJXTLSA-N	1	0	362.522	1.745	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@]3(C2)NC(=O)N(C)C3=O)C1	ZINC000329589564	824904280	/nfs/dbraw/zinc/90/42/80/824904280.db2.gz	ZLCFFIVPUOKRJZ-KDOFPFPSSA-N	1	0	365.478	1.099	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]2C1	ZINC001087992955	824956289	/nfs/dbraw/zinc/95/62/89/824956289.db2.gz	TVTLRNKDLVMDBT-SJORKVTESA-N	1	0	371.485	1.093	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cnn(CCO)c2-c2ccccc2)CC1	ZINC000475652972	828731594	/nfs/dbraw/zinc/73/15/94/828731594.db2.gz	UGGZEHAOMUSLSG-UHFFFAOYSA-N	1	0	354.454	1.923	20	30		FDEDRO
Cc1ccc([C@@H](CNC(=O)CN2CCN(C)C(=O)C2)[NH+]2CCCC2)cc1	ZINC000329630377	825081793	/nfs/dbraw/zinc/08/17/93/825081793.db2.gz	VKFXGBFDLCCLKN-GOSISDBHSA-N	1	0	358.486	1.862	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccnn3CC(F)(F)F)C[C@@H]2C1	ZINC001088003570	825118530	/nfs/dbraw/zinc/11/85/30/825118530.db2.gz	IVNLMAHDGIWZRX-KGLIPLIRSA-N	1	0	354.376	1.863	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccn(CC(F)(F)F)n3)C[C@@H]2C1	ZINC001088005337	825124585	/nfs/dbraw/zinc/12/45/85/825124585.db2.gz	YFMXFEVXGMSVKN-KGLIPLIRSA-N	1	0	354.376	1.863	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4(C5CC5)CC4)C[C@@H]3C2)C1=O	ZINC001088005714	825125613	/nfs/dbraw/zinc/12/56/13/825125613.db2.gz	PZMJBHSQCMCLAQ-SOLBZPMBSA-N	1	0	357.498	1.744	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@@H]2C1	ZINC001088004761	825130587	/nfs/dbraw/zinc/13/05/87/825130587.db2.gz	RLBPJJKEXYHLHB-SJORKVTESA-N	1	0	365.437	1.890	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H]2C[N@H+]([C@@H](C)C(N)=O)CC[C@@H]2C1	ZINC001088016594	825273546	/nfs/dbraw/zinc/27/35/46/825273546.db2.gz	MXPOTRMNEZRZIV-XHSDSOJGSA-N	1	0	357.454	1.519	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H]3C[N@H+]([C@@H](CC)C(N)=O)CC[C@@H]3C2)cc1	ZINC001088016722	825274661	/nfs/dbraw/zinc/27/46/61/825274661.db2.gz	RWRUIZUKCXDRFA-AOIWGVFYSA-N	1	0	371.481	1.909	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1	ZINC000522549893	825312583	/nfs/dbraw/zinc/31/25/83/825312583.db2.gz	SWULBJNXYYASHR-GGPKGHCWSA-N	1	0	363.550	1.531	20	30		FDEDRO
Cc1ccc(N2CCC[C@H](NC(=O)NCC[N@H+]3CCC[C@H](C)C3)C2)nn1	ZINC000329698333	825325257	/nfs/dbraw/zinc/32/52/57/825325257.db2.gz	YUUIPRDURYCLPH-RDJZCZTQSA-N	1	0	360.506	1.989	20	30		FDEDRO
Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)C2)nn1	ZINC000329699590	825325665	/nfs/dbraw/zinc/32/56/65/825325665.db2.gz	ZEVUDERQJDURQD-GVDBMIGSSA-N	1	0	358.490	1.884	20	30		FDEDRO
C[C@H](NC(=[NH+]CC(=O)N(C)C)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccccc1	ZINC000262335444	825337650	/nfs/dbraw/zinc/33/76/50/825337650.db2.gz	VXBASUHLGHSUPV-HKUYNNGSSA-N	1	0	369.513	1.728	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCCN(C)C2=O)C1	ZINC000984905606	825361701	/nfs/dbraw/zinc/36/17/01/825361701.db2.gz	PVJZIEQORDRJLD-TXTZMMAHSA-N	1	0	363.502	1.463	20	30		FDEDRO
COCC[C@@H]1COCCN1C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000329791842	825459020	/nfs/dbraw/zinc/45/90/20/825459020.db2.gz	DZUPBEOARXGPTB-GOSISDBHSA-N	1	0	368.522	1.196	20	30		FDEDRO
Cc1c([C@@H]2[C@H](C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@H]3C)CC(=O)N2C)cnn1C	ZINC000329873308	825518168	/nfs/dbraw/zinc/51/81/68/825518168.db2.gz	BZKFZWAACKMSSD-FJQTWTKGSA-N	1	0	359.474	1.687	20	30		FDEDRO
[O-]C(=[NH+]CC1(C[NH+]2CCOCC2)CCCCC1)N1CCn2ncnc2C1	ZINC000329960690	825567883	/nfs/dbraw/zinc/56/78/83/825567883.db2.gz	OBAWHKGSUHYAQN-UHFFFAOYSA-N	1	0	362.478	1.290	20	30		FDEDRO
COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1	ZINC000329998681	825586701	/nfs/dbraw/zinc/58/67/01/825586701.db2.gz	STJMPNSMTRSOQL-CABCVRRESA-N	1	0	362.478	1.591	20	30		FDEDRO
O=C(NC1CC1)c1noc([C@@H]2CCCN2C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)n1	ZINC000330039949	825607917	/nfs/dbraw/zinc/60/79/17/825607917.db2.gz	CHRKLHZVRSRQBN-JSGCOSHPSA-N	1	0	374.445	1.249	20	30		FDEDRO
COc1cccc(NC(=O)CN(C)C(=O)CN2CC[N@@H+]3CCCC[C@H]3C2)c1	ZINC000330082312	825624873	/nfs/dbraw/zinc/62/48/73/825624873.db2.gz	ARHXKZZYRQAOOA-KRWDZBQOSA-N	1	0	374.485	1.912	20	30		FDEDRO
Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CCCC1	ZINC000330122552	825656459	/nfs/dbraw/zinc/65/64/59/825656459.db2.gz	AFVZHSDVHYHQRB-MRXNPFEDSA-N	1	0	373.501	1.961	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)N2CCO[C@@H](C3CC3)C2)CC1	ZINC000330138149	825668854	/nfs/dbraw/zinc/66/88/54/825668854.db2.gz	OEGORCXJBVVUCT-QGZVFWFLSA-N	1	0	359.474	1.358	20	30		FDEDRO
C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3c(C)c(C)nn(C)c3=O)C[C@@H]2C1	ZINC001088061067	825727390	/nfs/dbraw/zinc/72/73/90/825727390.db2.gz	KSESFIGFTAIHPO-CABCVRRESA-N	1	0	364.877	1.544	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCC(c2ncc[nH]2)CC1	ZINC000330238107	825750421	/nfs/dbraw/zinc/75/04/21/825750421.db2.gz	VAAWJTYXYNVRPG-IAGOWNOFSA-N	1	0	361.490	1.881	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000526055503	828819604	/nfs/dbraw/zinc/81/96/04/828819604.db2.gz	PRVBGXWDUFZCFD-ZACQAIPSSA-N	1	0	362.518	1.759	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1cnc(N(C)C)n1C	ZINC000330258843	825771511	/nfs/dbraw/zinc/77/15/11/825771511.db2.gz	MUMSEGNYALEODU-CQSZACIVSA-N	1	0	364.494	1.085	20	30		FDEDRO
N#Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCNC4=O)C[C@@H]3C2)ccc1F	ZINC001088065087	825789091	/nfs/dbraw/zinc/78/90/91/825789091.db2.gz	HTKXCAAETROHCC-PVAVHDDUSA-N	1	0	370.428	1.114	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+](C[C@H](O)Cn3cccn3)CC[C@@H]2C1	ZINC001088065178	825789780	/nfs/dbraw/zinc/78/97/80/825789780.db2.gz	LFMOJRLXHWWUOT-SQNIBIBYSA-N	1	0	360.502	1.627	20	30		FDEDRO
Cc1c([C@H]2OCC[C@@H]2C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)cnn1C	ZINC000330281154	825792623	/nfs/dbraw/zinc/79/26/23/825792623.db2.gz	UFQCEDXYJKHKGJ-RYRKJORJSA-N	1	0	364.490	1.855	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCNC4=O)C[C@@H]3C2)cc1F	ZINC001088064940	825806511	/nfs/dbraw/zinc/80/65/11/825806511.db2.gz	BWJLKCSIOZFLKV-IKGGRYGDSA-N	1	0	370.428	1.114	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)ccn1	ZINC000281062683	825868454	/nfs/dbraw/zinc/86/84/54/825868454.db2.gz	CNVCOZRAGPCKOS-PKOBYXMFSA-N	1	0	350.422	1.566	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C)nnc4C)[C@@H]3C2)C1=O	ZINC001075834085	825925143	/nfs/dbraw/zinc/92/51/43/825925143.db2.gz	NYTPZIAUNFZVFR-CGTJXYLNSA-N	1	0	369.469	1.027	20	30		FDEDRO
CN(CCCN1CC[NH+](C)CC1)C(=O)c1ccn(-c2cccc(C#N)c2)n1	ZINC000281126050	825893800	/nfs/dbraw/zinc/89/38/00/825893800.db2.gz	CLUGHNKPBCGJJD-UHFFFAOYSA-N	1	0	366.469	1.453	20	30		FDEDRO
Cn1cncc1[C@@H]1C[C@@H](NC(=O)NCCN2CCOCC2(C)C)CCO1	ZINC000330318140	825901380	/nfs/dbraw/zinc/90/13/80/825901380.db2.gz	CEGDQLQIGDGMMR-HOCLYGCPSA-N	1	0	365.478	1.255	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCC[C@H](c2ncc[nH]2)C1	ZINC000330331996	825938347	/nfs/dbraw/zinc/93/83/47/825938347.db2.gz	XSKPFSOWMSSUSZ-UAGQMJEPSA-N	1	0	361.490	1.881	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3cc[nH]c3)[C@H]2CC)CC1	ZINC000984981697	825938353	/nfs/dbraw/zinc/93/83/53/825938353.db2.gz	SBRNZNCLNHPGME-ZWKOTPCHSA-N	1	0	356.470	1.469	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C)CCC[NH+]1CCCC1	ZINC000281342383	825942141	/nfs/dbraw/zinc/94/21/41/825942141.db2.gz	CZZDXZXFFNWNQY-UHFFFAOYSA-N	1	0	361.417	1.721	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1=O	ZINC000281511848	825969747	/nfs/dbraw/zinc/96/97/47/825969747.db2.gz	YUVJADJTEQIMQO-OAHLLOKOSA-N	1	0	364.377	1.781	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4[C@@H]5COC[C@@H]54)C[C@@H]3C2)c1	ZINC001088073182	825974524	/nfs/dbraw/zinc/97/45/24/825974524.db2.gz	QMEGZEUXHJVIMJ-RMMWZPCPSA-N	1	0	351.450	1.731	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC34CC4)[C@@H]2CC)CC1	ZINC000984988595	826002486	/nfs/dbraw/zinc/00/24/86/826002486.db2.gz	JCCPXSKSHPKVQM-OKZBNKHCSA-N	1	0	357.498	1.627	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000281759440	826210127	/nfs/dbraw/zinc/21/01/27/826210127.db2.gz	AMAVLNUWEOPWHF-GFCCVEGCSA-N	1	0	370.331	1.606	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)Cc2cscn2)C[C@H]1C(F)(F)F	ZINC001112175192	826226849	/nfs/dbraw/zinc/22/68/49/826226849.db2.gz	PATIUZJEFJSYHC-CHWSQXEVSA-N	1	0	361.389	1.314	20	30		FDEDRO
C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000281859538	826283442	/nfs/dbraw/zinc/28/34/42/826283442.db2.gz	GPRKGSLGXFSVMF-UHFFFAOYSA-N	1	0	372.347	1.852	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)NCC3CCC(C#N)CC3)ccn2)CC1	ZINC000281885182	826300916	/nfs/dbraw/zinc/30/09/16/826300916.db2.gz	PQGAWCNOGAMNED-UHFFFAOYSA-N	1	0	370.501	1.963	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)[C@H]2CC)c1	ZINC000985087281	826309231	/nfs/dbraw/zinc/30/92/31/826309231.db2.gz	UFRKIJOAOMZDBP-IPMKNSEASA-N	1	0	368.481	1.657	20	30		FDEDRO
Cn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4C#N)CC[C@@H]3C2)[nH]c1=O	ZINC001088092329	826329819	/nfs/dbraw/zinc/32/98/19/826329819.db2.gz	BGROSVHHRWZRPE-SJORKVTESA-N	1	0	365.437	1.591	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4(C)CC=CC4)C[C@@H]3C2)C1=O	ZINC001088092278	826339244	/nfs/dbraw/zinc/33/92/44/826339244.db2.gz	ZUNGEBHVQPZIBM-FGTMMUONSA-N	1	0	357.498	1.910	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccnn4CCC)[C@@H]3C2)C1=O	ZINC001075837337	826342687	/nfs/dbraw/zinc/34/26/87/826342687.db2.gz	DCFRTJNJQSZJCR-XYJFISCASA-N	1	0	371.485	1.226	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4CC5(CC5)C4)C[C@@H]3C2)C1=O	ZINC001088101478	826393213	/nfs/dbraw/zinc/39/32/13/826393213.db2.gz	KIWFJATZQTUIDT-BPQIPLTHSA-N	1	0	357.498	1.744	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4oc(C)nc4C)CC[C@@H]3C2)nn1	ZINC001088133016	826571163	/nfs/dbraw/zinc/57/11/63/826571163.db2.gz	OTQRTLKUQKQWTN-CVEARBPZSA-N	1	0	370.457	1.663	20	30		FDEDRO
C[C@@H]1CC[N@H+](C)CCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000508652264	833085761	/nfs/dbraw/zinc/08/57/61/833085761.db2.gz	IDDLXCMDPIJFON-CRAIPNDOSA-N	1	0	369.469	1.789	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3cn4cccc(C)c4n3)C[C@@H]2C1	ZINC001088140830	826657515	/nfs/dbraw/zinc/65/75/15/826657515.db2.gz	GVWPLHNWXRYCPJ-MSOLQXFVSA-N	1	0	350.466	1.989	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCCS2(=O)=O)C[C@H]1C(F)(F)F	ZINC001112177870	826816081	/nfs/dbraw/zinc/81/60/81/826816081.db2.gz	FZOMBRFKFRDNTG-BZPMIXESSA-N	1	0	368.421	1.509	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N1CCN(C(=O)c2ccco2)CC1	ZINC000262440557	826905586	/nfs/dbraw/zinc/90/55/86/826905586.db2.gz	UNNNBZPLWYNQJZ-USXIJHARSA-N	1	0	374.485	1.816	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2CC)nc1	ZINC000985210019	826933012	/nfs/dbraw/zinc/93/30/12/826933012.db2.gz	NQZATVJKCYJWSB-UHOSZYNNSA-N	1	0	368.481	1.657	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3nc4cc[nH]cc-4n3)C[C@@H]2C1	ZINC001088163861	826938092	/nfs/dbraw/zinc/93/80/92/826938092.db2.gz	JQHABTNJQDAEHK-CVEARBPZSA-N	1	0	351.454	1.694	20	30		FDEDRO
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@]1(O)CC[N@H+](C)C1	ZINC000475197597	827019050	/nfs/dbraw/zinc/01/90/50/827019050.db2.gz	MZRITOXGCXZKJA-HXUWFJFHSA-N	1	0	359.470	1.660	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H](C)n1ccnc1)C2	ZINC001112537156	833158530	/nfs/dbraw/zinc/15/85/30/833158530.db2.gz	SGLGWOZWEPUNNJ-HBFSDRIKSA-N	1	0	358.486	1.702	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CCN4CCCC4=O)CC[C@@H]3C2)nc1	ZINC001088175468	827226261	/nfs/dbraw/zinc/22/62/61/827226261.db2.gz	XPAJYZASMFNITH-MSOLQXFVSA-N	1	0	366.465	1.079	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C(=O)N(C)C)C[C@@H]2C1	ZINC001088173663	827252144	/nfs/dbraw/zinc/25/21/44/827252144.db2.gz	MSIZMZFOJJNYHI-SJORKVTESA-N	1	0	353.466	1.806	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(CNC(N)=O)cc3)C[C@@H]2C1	ZINC001088195604	827404354	/nfs/dbraw/zinc/40/43/54/827404354.db2.gz	MXVONQLSYRVPHX-MSOLQXFVSA-N	1	0	354.454	1.272	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN(C(=O)CCC)C3)C[C@@H]2C1	ZINC001088210396	827485653	/nfs/dbraw/zinc/48/56/53/827485653.db2.gz	JQJQDWYXGIDTTQ-QYZOEREBSA-N	1	0	359.514	1.829	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4nnc(C)o4)C[C@H]3C2)CC1	ZINC001088211896	827492680	/nfs/dbraw/zinc/49/26/80/827492680.db2.gz	FEHNVRPULKGTTP-MSOLQXFVSA-N	1	0	371.485	1.004	20	30		FDEDRO
Cc1nonc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)CC[C@@H]2C1	ZINC001088220695	827548560	/nfs/dbraw/zinc/54/85/60/827548560.db2.gz	PUFIYLUEGTXCQR-CVEARBPZSA-N	1	0	369.400	1.983	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3c(OC)ncnc3OC)C[C@@H]2C1	ZINC001088221272	827550889	/nfs/dbraw/zinc/55/08/89/827550889.db2.gz	WMWZIUFEMHGHCT-CABCVRRESA-N	1	0	360.458	1.854	20	30		FDEDRO
COc1cc(-c2noc(-c3cnn(C)c3C#N)n2)ccc1OCC[NH+](C)C	ZINC000349987245	833227585	/nfs/dbraw/zinc/22/75/85/833227585.db2.gz	HNNVLMXOWZJJFO-UHFFFAOYSA-N	1	0	368.397	1.958	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CO[C@@H]2CC[N@@H+](CCF)C2)CC1	ZINC001088238316	827650764	/nfs/dbraw/zinc/65/07/64/827650764.db2.gz	QWPLVRVURIMLHS-KURKYZTESA-N	1	0	354.466	1.877	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(C(=O)NCc3nc(C#N)cs3)CC2)c1	ZINC000897296278	827763289	/nfs/dbraw/zinc/76/32/89/827763289.db2.gz	HMTNGRMEKVPSDC-UHFFFAOYSA-N	1	0	358.427	1.450	20	30		FDEDRO
Cc1cccc(N2CCN(C(NCC(=O)N(C)C)=[NH+]C3CC3)CC2)c1C	ZINC000262530403	827985997	/nfs/dbraw/zinc/98/59/97/827985997.db2.gz	IARHHVDQFLIDKA-UHFFFAOYSA-N	1	0	357.502	1.622	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H](C[N@H+](C)Cc3cccc(C#N)c3)C2)O1	ZINC001029767194	828030057	/nfs/dbraw/zinc/03/00/57/828030057.db2.gz	LYXVOEGKVWFFCW-LSTHTHJFSA-N	1	0	370.497	1.558	20	30		FDEDRO
C=C(Cl)C[N@@H+](C)C1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CC1	ZINC000985543585	828134327	/nfs/dbraw/zinc/13/43/27/828134327.db2.gz	PRIRCWNQCPJEQT-CABCVRRESA-N	1	0	357.882	1.475	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cnn(C)c1C#N	ZINC000527244512	829002159	/nfs/dbraw/zinc/00/21/59/829002159.db2.gz	BKJVESIRIIOQEF-INIZCTEOSA-N	1	0	352.442	1.813	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCNCc1nc([C@H](C)OC)no1	ZINC001168100468	829192385	/nfs/dbraw/zinc/19/23/85/829192385.db2.gz	AXZJFHFTDFRGIE-YDHLFZDLSA-N	1	0	352.435	1.354	20	30		FDEDRO
CC(C)[NH+]=C(NCCc1ccco1)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000262616908	829237313	/nfs/dbraw/zinc/23/73/13/829237313.db2.gz	BVWMOVWLKJIFKX-UHFFFAOYSA-N	1	0	358.446	1.258	20	30		FDEDRO
N#Cc1ccc(N2C[C@@H](C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2=O)cc1Cl	ZINC000448793839	829250837	/nfs/dbraw/zinc/25/08/37/829250837.db2.gz	MMAGIWOXQKANKW-UONOGXRCSA-N	1	0	372.856	1.917	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1	ZINC001088381762	829320926	/nfs/dbraw/zinc/32/09/26/829320926.db2.gz	LRUZCALSHSKDGY-KURKYZTESA-N	1	0	363.502	1.703	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NC[C@H]3CC[N@@H+]3C3CCCC3)CC2)nc1	ZINC000528283701	829329067	/nfs/dbraw/zinc/32/90/67/829329067.db2.gz	CFCHGYFTHLFJPN-GOSISDBHSA-N	1	0	368.485	1.802	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001088382602	829354690	/nfs/dbraw/zinc/35/46/90/829354690.db2.gz	GSSOKMVHTQREJM-KURKYZTESA-N	1	0	354.454	1.540	20	30		FDEDRO
COc1cc(CNC(=O)Cc2ccc(C#N)nc2)ccc1OCC[NH+](C)C	ZINC000528338803	829358697	/nfs/dbraw/zinc/35/86/97/829358697.db2.gz	VRBVIIUIIMRMHR-UHFFFAOYSA-N	1	0	368.437	1.761	20	30		FDEDRO
C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccccc2C#N)C[C@@H](C)O1	ZINC000528355946	829365080	/nfs/dbraw/zinc/36/50/80/829365080.db2.gz	AAMNIRWMLIGFLP-JYBIWHBTSA-N	1	0	373.497	1.872	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CCN1CC[C@H](C[NH+]2CCCC2)C1	ZINC000528385589	829377468	/nfs/dbraw/zinc/37/74/68/829377468.db2.gz	CSDPTBGUSQOOJP-QGZVFWFLSA-N	1	0	351.450	1.704	20	30		FDEDRO
C[C@@H]1C[C@]2(CCO1)C[N@@H+](C[C@H](O)COc1ccccc1C#N)C[C@H](C)O2	ZINC000528492004	829432452	/nfs/dbraw/zinc/43/24/52/829432452.db2.gz	WOOMKSBIHNYLLV-NDUPCHFUSA-N	1	0	360.454	1.956	20	30		FDEDRO
N#Cc1cccc(Oc2ccc(NC(=O)NC[C@H]3COCC[NH2+]3)cn2)c1	ZINC000528669755	829513323	/nfs/dbraw/zinc/51/33/23/829513323.db2.gz	NZTYVBUHBZSDDL-HNNXBMFYSA-N	1	0	353.382	1.855	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)N1CCCCC1	ZINC001168109567	829529402	/nfs/dbraw/zinc/52/94/02/829529402.db2.gz	BROMQQRXLJJNIC-ULQDDVLXSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NC1CCCCC1	ZINC001168110452	829554529	/nfs/dbraw/zinc/55/45/29/829554529.db2.gz	UUXHUFUWGVPPNU-SZMVWBNQSA-N	1	0	365.518	1.901	20	30		FDEDRO
C[NH+]=C(NCCc1ccco1)N1CCN(c2nccn3cnnc23)[C@@H](C)C1	ZINC000262634400	829565616	/nfs/dbraw/zinc/56/56/16/829565616.db2.gz	FXEHUSXTLCTYAW-AWEZNQCLSA-N	1	0	368.445	1.046	20	30		FDEDRO
C[C@@]1(C2CCN(C(NCCc3ccco3)=[NH+]C3CC3)CC2)NC(=O)NC1=O	ZINC000262655989	829852711	/nfs/dbraw/zinc/85/27/11/829852711.db2.gz	KNBWJEPYFOVKDU-IBGZPJMESA-N	1	0	373.457	1.240	20	30		FDEDRO
Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000450444162	829965727	/nfs/dbraw/zinc/96/57/27/829965727.db2.gz	BPUBJDCAFMCNIJ-VQIMIIECSA-N	1	0	352.438	1.808	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CS(=O)(=O)N(C)C)C[C@]2(C)C1	ZINC001101449926	829966830	/nfs/dbraw/zinc/96/68/30/829966830.db2.gz	SXNDAVWSADIJSQ-UXLLHSPISA-N	1	0	357.520	1.013	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(c2nc3c(cc2C#N)COCC3)CC1	ZINC000450498879	829984319	/nfs/dbraw/zinc/98/43/19/829984319.db2.gz	HBCYCXDEGIUHAM-UHFFFAOYSA-N	1	0	351.410	1.756	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C1	ZINC000985892312	830007494	/nfs/dbraw/zinc/00/74/94/830007494.db2.gz	WEXZIPSEBTWCEK-SOLBZPMBSA-N	1	0	369.469	1.291	20	30		FDEDRO
C#CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1	ZINC001105425741	830236378	/nfs/dbraw/zinc/23/63/78/830236378.db2.gz	ZMJJXYITFJJGHM-KIQACKJLSA-N	1	0	367.493	1.731	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC	ZINC000451597165	830404082	/nfs/dbraw/zinc/40/40/82/830404082.db2.gz	HOOMJLWDKHTLPY-SJORKVTESA-N	1	0	360.458	1.885	20	30		FDEDRO
C[C@@H]1C[C@@]1(C#N)C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000451698398	830423763	/nfs/dbraw/zinc/42/37/63/830423763.db2.gz	ZFXHCUZLLGBHMI-LMNJBCLMSA-N	1	0	352.482	1.955	20	30		FDEDRO
COC(=O)[C@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@H]1c1ccccc1	ZINC000451998897	830497754	/nfs/dbraw/zinc/49/77/54/830497754.db2.gz	CEIGPBVYEYUTTJ-ROUUACIJSA-N	1	0	368.437	1.531	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	ZINC000531442298	830745932	/nfs/dbraw/zinc/74/59/32/830745932.db2.gz	GSMHYSBQZROVQC-GUDVDZBRSA-N	1	0	355.486	1.714	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	ZINC000531442275	830746186	/nfs/dbraw/zinc/74/61/86/830746186.db2.gz	GSMHYSBQZROVQC-CEXWTWQISA-N	1	0	355.486	1.714	20	30		FDEDRO
C[C@@H](C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1)n1cnc(C#N)n1	ZINC000452725421	830758588	/nfs/dbraw/zinc/75/85/88/830758588.db2.gz	FEBWNUAAPZFJOE-HNNXBMFYSA-N	1	0	352.442	1.882	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc2ncnn2c1)C(C)C	ZINC000453598975	830953307	/nfs/dbraw/zinc/95/33/07/830953307.db2.gz	PCRNBPJQHWAEGT-INIZCTEOSA-N	1	0	370.457	1.483	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)Nc3cccc(CC#N)c3)CC2)CCO1	ZINC000453611076	830967747	/nfs/dbraw/zinc/96/77/47/830967747.db2.gz	YVMMPONLYNHVDL-OAHLLOKOSA-N	1	0	370.453	1.403	20	30		FDEDRO
COc1cc(C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)ccc1OCC(N)=O	ZINC000360058456	831284545	/nfs/dbraw/zinc/28/45/45/831284545.db2.gz	LRLOIDKJXHJOAN-VQHPVUNQSA-N	1	0	373.453	1.889	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)C4CCC4)C[C@H]3C2)CC1	ZINC000986245753	831356365	/nfs/dbraw/zinc/35/63/65/831356365.db2.gz	LIXSBIWZCBUKGD-MOPGFXCFSA-N	1	0	357.498	1.439	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)CCC4CC4)C[C@H]3C2)CC1	ZINC000986246338	831357940	/nfs/dbraw/zinc/35/79/40/831357940.db2.gz	RFSGTAVUQBXQNX-UXHICEINSA-N	1	0	371.525	1.829	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[N@@H+](C)[C@@H]2CCCNC2=O)CC1	ZINC001029966118	831944176	/nfs/dbraw/zinc/94/41/76/831944176.db2.gz	MBFRXOMMLAIVSV-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCC1(C(=O)NCC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CCC1	ZINC001059731723	832040631	/nfs/dbraw/zinc/04/06/31/832040631.db2.gz	ANTABLMOQSZDQG-FGTMMUONSA-N	1	0	359.514	1.875	20	30		FDEDRO
CN(C)C(=O)COc1ccccc1C[NH2+]CCNc1ccc(C#N)cn1	ZINC000897398759	832092517	/nfs/dbraw/zinc/09/25/17/832092517.db2.gz	PFYYQPBLDCSXEI-UHFFFAOYSA-N	1	0	353.426	1.622	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1Cc1ccnc(N(C)C)c1	ZINC001088513511	832330336	/nfs/dbraw/zinc/33/03/36/832330336.db2.gz	VMCKPXOAADQCKM-CJNGLKHVSA-N	1	0	352.442	1.740	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1CC(=O)N(C)C1CCCCC1	ZINC001088522778	832403585	/nfs/dbraw/zinc/40/35/85/832403585.db2.gz	DQKCNNRKDQTLND-PBHICJAKSA-N	1	0	371.485	1.870	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1CC(=O)N1CCC[C@@H](C)C1	ZINC001088533184	832482987	/nfs/dbraw/zinc/48/29/87/832482987.db2.gz	DQMBVQXDHZHQAU-CPUCHLNUSA-N	1	0	357.458	1.337	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CCN1CC#Cc1ccccc1Cl	ZINC001088548384	832608479	/nfs/dbraw/zinc/60/84/79/832608479.db2.gz	PLTALCIIROWWMR-KCXAZCMYSA-N	1	0	361.829	1.379	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3cccc(C)n3)[C@H]2C)CC1	ZINC000987367971	832902893	/nfs/dbraw/zinc/90/28/93/832902893.db2.gz	RRASOKSPYAUEFF-AEFFLSMTSA-N	1	0	368.481	1.454	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)C[C@@H]3CCCO3)[C@H]2C)CC1	ZINC000987393420	832944544	/nfs/dbraw/zinc/94/45/44/832944544.db2.gz	XXOSNIYOOZKULW-NJAFHUGGSA-N	1	0	361.486	1.006	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3c(C)ccn3C)[C@H]2C)CC1	ZINC000987731816	833602286	/nfs/dbraw/zinc/60/22/86/833602286.db2.gz	NBGVELRXJJWPNE-AEFFLSMTSA-N	1	0	370.497	1.398	20	30		FDEDRO
Cc1cc(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3cncn3C)C2)c(C#N)cn1	ZINC001059830099	833656970	/nfs/dbraw/zinc/65/69/70/833656970.db2.gz	PPVDBZYYEIJELE-QKPAOTATSA-N	1	0	350.426	1.280	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3[nH]ccc3C)[C@H]2C)CC1	ZINC000987796845	833662930	/nfs/dbraw/zinc/66/29/30/833662930.db2.gz	UUAFZRCMNVGSHK-WBVHZDCISA-N	1	0	356.470	1.388	20	30		FDEDRO
Cc1cccn(CC(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)c1=O	ZINC001088564853	834715439	/nfs/dbraw/zinc/71/54/39/834715439.db2.gz	PBBCEUZWLPMGIU-APWZRJJASA-N	1	0	364.449	1.808	20	30		FDEDRO
N#Cc1cc(CN2C[C@@H](NC(=O)[C@@H]3CCCOCC3)[C@@H](O)C2)ccc1F	ZINC001083434655	835056011	/nfs/dbraw/zinc/05/60/11/835056011.db2.gz	MMCKMYQFSAXIHM-OLMNPRSZSA-N	1	0	361.417	1.175	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1C	ZINC000988492524	835538904	/nfs/dbraw/zinc/53/89/04/835538904.db2.gz	HDPYSDQANSSICI-KMFMINBZSA-N	1	0	357.458	1.480	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@@H]1C	ZINC000988495939	835574582	/nfs/dbraw/zinc/57/45/82/835574582.db2.gz	WLCWEYAQDANWFC-UKPHBRMFSA-N	1	0	357.458	1.480	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H](C)SC)[C@@H]2C)CC1	ZINC000988505816	835655560	/nfs/dbraw/zinc/65/55/60/835655560.db2.gz	DTPMNTHZMLALGS-FMKPAKJESA-N	1	0	351.516	1.189	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)CCc3ccoc3)[C@@H]2C)CC1	ZINC000988505945	835657028	/nfs/dbraw/zinc/65/70/28/835657028.db2.gz	FPFFUEPZDJLMAN-APWZRJJASA-N	1	0	371.481	1.663	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)CCc3ccco3)[C@@H]2C)CC1	ZINC000988506413	835658697	/nfs/dbraw/zinc/65/86/97/835658697.db2.gz	LNDJHQXEYMFMBE-APWZRJJASA-N	1	0	371.481	1.663	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3cccs3)[C@@H]2C)CC1	ZINC000988509493	835672639	/nfs/dbraw/zinc/67/26/39/835672639.db2.gz	OVBBBAVCGBYOPX-ZBFHGGJFSA-N	1	0	359.495	1.813	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(CC)cc2)C[C@H]1OC	ZINC001212032164	836346219	/nfs/dbraw/zinc/34/62/19/836346219.db2.gz	NBRHVXQMJLWNLB-CEXWTWQISA-N	1	0	362.470	1.300	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(Cc3cncc(OC)n3)[C@@H]2C)cc1	ZINC001088787139	844166229	/nfs/dbraw/zinc/16/62/29/844166229.db2.gz	SCVJFQOGSNODRH-KDOFPFPSSA-N	1	0	350.422	1.859	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CCn3ccnc3C2)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC000988725664	836871006	/nfs/dbraw/zinc/87/10/06/836871006.db2.gz	NSKNEIVPHKXIIJ-WWGRRREGSA-N	1	0	366.425	1.065	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000938034149	837066272	/nfs/dbraw/zinc/06/62/72/837066272.db2.gz	SDOGAKNZTTUPIK-JQHSSLGASA-N	1	0	368.437	1.646	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C	ZINC000988771477	837187104	/nfs/dbraw/zinc/18/71/04/837187104.db2.gz	ASYFUZBHEKKNQZ-UZLBHIALSA-N	1	0	367.493	1.658	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C#C)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105669495	844249980	/nfs/dbraw/zinc/24/99/80/844249980.db2.gz	SIKDSFNWBNUOEX-XWSHUIEDSA-N	1	0	365.477	1.666	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCN(C)C(C)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105669701	844280816	/nfs/dbraw/zinc/28/08/16/844280816.db2.gz	UTVSLGKAVCEVPW-IZBJGVDFSA-N	1	0	365.518	1.397	20	30		FDEDRO
CN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000508691781	838351318	/nfs/dbraw/zinc/35/13/18/838351318.db2.gz	PYBVKZFTRPFQJM-GOSISDBHSA-N	1	0	369.469	1.791	20	30		FDEDRO
C[N@H+](CCCCNC(=O)N1CCN(c2cccc(C#N)n2)CC1)C1CC1	ZINC000455625797	838397200	/nfs/dbraw/zinc/39/72/00/838397200.db2.gz	XSVPRKSGEGUVAO-UHFFFAOYSA-N	1	0	356.474	1.659	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(F)c2C(=O)OC)CC1	ZINC000272800682	838449463	/nfs/dbraw/zinc/44/94/63/838449463.db2.gz	DFJPJTJTJJUUCJ-UHFFFAOYSA-N	1	0	363.389	1.317	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C)nc1	ZINC000989164185	838535427	/nfs/dbraw/zinc/53/54/27/838535427.db2.gz	QWNAZOKEVDFCBW-PBHICJAKSA-N	1	0	354.454	1.266	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CCN(c2cc[nH+]c3ccccc32)CC1	ZINC000459465457	838712240	/nfs/dbraw/zinc/71/22/40/838712240.db2.gz	OMEHCLJKQPOLRM-HNNXBMFYSA-N	1	0	367.453	1.757	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cn[nH]c(=O)c2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088641664	838779596	/nfs/dbraw/zinc/77/95/96/838779596.db2.gz	OZUBUILPQQIGCF-DYVFJYSZSA-N	1	0	367.409	1.477	20	30		FDEDRO
C=CCN1CC[C@@H](N2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@H]2C)C1=O	ZINC001088791943	844375279	/nfs/dbraw/zinc/37/52/79/844375279.db2.gz	LLKLRQOULPOAEK-IXDOHACOSA-N	1	0	362.518	1.227	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccn3nnnc3c2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088791472	844370103	/nfs/dbraw/zinc/37/01/03/844370103.db2.gz	KHHLVXWTFGDXCA-DYVFJYSZSA-N	1	0	361.409	1.389	20	30		FDEDRO
N#Cc1cccc(COc2cccc(C[NH2+]C[C@H](O)Cn3ccnn3)c2)c1	ZINC000459692518	838915919	/nfs/dbraw/zinc/91/59/19/838915919.db2.gz	HQZZWSMSPSYTSE-IBGZPJMESA-N	1	0	363.421	1.879	20	30		FDEDRO
Cc1cc(C#N)nc(N2CCC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001059969019	839550838	/nfs/dbraw/zinc/55/08/38/839550838.db2.gz	YAZILBUSUGZKLT-HLLBOEOZSA-N	1	0	356.474	1.330	20	30		FDEDRO
C[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000282074437	839569416	/nfs/dbraw/zinc/56/94/16/839569416.db2.gz	CRWNKRWTGUYAAX-YJBOKZPZSA-N	1	0	369.469	1.443	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088671639	839573510	/nfs/dbraw/zinc/57/35/10/839573510.db2.gz	PPJYNWKBPWYKOR-OLMNPRSZSA-N	1	0	354.454	1.506	20	30		FDEDRO
COCC#CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1OCC[C@H]1C)CCO2	ZINC001105482187	839778709	/nfs/dbraw/zinc/77/87/09/839778709.db2.gz	YGAPHZXHJVGJAK-BHASAWDCSA-N	1	0	364.486	1.191	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)Cc2sc(=S)[nH]c2C)c1C#N	ZINC000760306712	839779848	/nfs/dbraw/zinc/77/98/48/839779848.db2.gz	DVWDEMKPZZIZHD-UHFFFAOYSA-N	1	0	350.473	1.668	20	30		FDEDRO
C#Cc1ccc(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1	ZINC000841908366	839934638	/nfs/dbraw/zinc/93/46/38/839934638.db2.gz	NKCNTYGTNQOIAW-OAHLLOKOSA-N	1	0	354.376	1.303	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3CCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105585639	839996784	/nfs/dbraw/zinc/99/67/84/839996784.db2.gz	TXJHOUUDXATJOU-XSYGEPLQSA-N	1	0	350.503	1.955	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc(C)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105590748	840128851	/nfs/dbraw/zinc/12/88/51/840128851.db2.gz	MRAFWCPYFKIBAL-UIXUWTQFSA-N	1	0	358.486	1.941	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2c3ccccc3CC[C@H]2F)CC1	ZINC000897674693	840217243	/nfs/dbraw/zinc/21/72/43/840217243.db2.gz	DSWUCMLDVGXDLS-MSOLQXFVSA-N	1	0	359.445	1.895	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@]2(C)CCOC3(CCC3)C2)CC1	ZINC000897675017	840218347	/nfs/dbraw/zinc/21/83/47/840218347.db2.gz	ODUGYSJFUGLVAZ-IBGZPJMESA-N	1	0	363.502	1.609	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)C3C[NH+]([C@@H]4CCOC4)C3)CC2)c(F)c1	ZINC000897744585	840364793	/nfs/dbraw/zinc/36/47/93/840364793.db2.gz	VRJJQBBUVRELOT-MRXNPFEDSA-N	1	0	373.428	1.788	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C)n3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105594754	840582007	/nfs/dbraw/zinc/58/20/07/840582007.db2.gz	WMGLGAJJXNPKPP-VELGLUOQSA-N	1	0	357.498	1.937	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn[nH]c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105600460	841010748	/nfs/dbraw/zinc/01/07/48/841010748.db2.gz	HUZFAKIKTLFFLZ-VXNCWWDNSA-N	1	0	362.474	1.192	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCOC(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105601412	841033328	/nfs/dbraw/zinc/03/33/28/841033328.db2.gz	YBMWLQMZSBEVAY-JYBIWHBTSA-N	1	0	350.503	1.791	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(C)C(C)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105601115	841039068	/nfs/dbraw/zinc/03/90/68/841039068.db2.gz	RYHNJLJWOOCXNM-PSBWJHGTSA-N	1	0	351.491	1.007	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CNC(=O)C3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105604522	841184840	/nfs/dbraw/zinc/18/48/40/841184840.db2.gz	UNERHHYSGABCMJ-HBXLWWENSA-N	1	0	363.502	1.055	20	30		FDEDRO
CC/C=C(/C)C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC#CCOC)C2)[C@@H]1C(C)C	ZINC001105606995	841210733	/nfs/dbraw/zinc/21/07/33/841210733.db2.gz	JUSXHTWUZLIWSQ-DHARTDEJSA-N	1	0	362.514	1.959	20	30		FDEDRO
[NH2+]=C(NCC(=O)N1CCc2ccccc2C1)N[C@H]1CCOc2ccccc21	ZINC000083052250	841307864	/nfs/dbraw/zinc/30/78/64/841307864.db2.gz	WVLOKONASWKWMI-SFHVURJKSA-N	1	0	364.449	1.999	20	30		FDEDRO
C=CCOCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCC3CC3)C2)[C@@H]1C(C)C	ZINC001105609884	841431229	/nfs/dbraw/zinc/43/12/29/841431229.db2.gz	CUTRSTWCKGOWMG-JYBIWHBTSA-N	1	0	350.503	1.955	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CN(C(C)C)CCO3)[C@@H]2C)C1	ZINC000989789037	841477880	/nfs/dbraw/zinc/47/78/80/841477880.db2.gz	HRFJNWVRLYGEHM-IKGGRYGDSA-N	1	0	363.502	1.558	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)C3CC4(CC4)C3)[C@H]2C)CC1	ZINC000989814939	841497085	/nfs/dbraw/zinc/49/70/85/841497085.db2.gz	UVGPEPWUXFCVFO-QAPCUYQASA-N	1	0	357.498	1.627	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]2C)c1	ZINC000989808168	841511996	/nfs/dbraw/zinc/51/19/96/841511996.db2.gz	UBNYZALKWQSPJZ-GRGSLBFTSA-N	1	0	368.481	1.512	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC000990005680	841801195	/nfs/dbraw/zinc/80/11/95/841801195.db2.gz	TXNDBYFGKFHQMS-HIFRSBDPSA-N	1	0	357.458	1.337	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C	ZINC000990009149	841819004	/nfs/dbraw/zinc/81/90/04/841819004.db2.gz	IQUNOLABSMSGBI-DAYGRLMNSA-N	1	0	356.470	1.670	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105612222	841977957	/nfs/dbraw/zinc/97/79/57/841977957.db2.gz	YONOEAWDEIXTIA-JYBIWHBTSA-N	1	0	368.518	1.582	20	30		FDEDRO
Cc1ccc(NC(=O)c2cnn(C)c2C#N)cc1NC(=O)CC[NH+](C)C	ZINC000476689472	842072546	/nfs/dbraw/zinc/07/25/46/842072546.db2.gz	KBZDHIHDKSJBNN-UHFFFAOYSA-N	1	0	354.414	1.743	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)/C(C)=C/C)[C@H]2C(C)C)C[C@H]1O	ZINC001105614593	842227793	/nfs/dbraw/zinc/22/77/93/842227793.db2.gz	IWOMLZSDLAOYOF-JGNYGMMOSA-N	1	0	363.502	1.221	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCC(=O)NC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619026	842235041	/nfs/dbraw/zinc/23/50/41/842235041.db2.gz	DTRHESRPOVBWIZ-XNFNUYLZSA-N	1	0	365.518	1.445	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(OC)no3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619107	842236264	/nfs/dbraw/zinc/23/62/64/842236264.db2.gz	FUCWYMOBLDGPEE-PHNROFDPSA-N	1	0	361.442	1.286	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(=O)NC)[C@H]2C(C)C)C[C@H]1O	ZINC001105622898	842249149	/nfs/dbraw/zinc/24/91/49/842249149.db2.gz	JVTWNTZXQUNQDL-LTDCPUDJSA-N	1	0	351.491	1.055	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C)nn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105623463	842251616	/nfs/dbraw/zinc/25/16/16/842251616.db2.gz	QDZYQFHFNQQWIO-VYCZESIESA-N	1	0	361.490	1.361	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C)nn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105623455	842251656	/nfs/dbraw/zinc/25/16/56/842251656.db2.gz	QDZYQFHFNQQWIO-MYZZLAAOSA-N	1	0	361.490	1.361	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C)nn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105628727	842261071	/nfs/dbraw/zinc/26/10/71/842261071.db2.gz	XTHOREAKFJTIIA-MLYOOKFZSA-N	1	0	356.470	1.388	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(C)C)C2)[C@@H]1C(C)C	ZINC001105631430	842264192	/nfs/dbraw/zinc/26/41/92/842264192.db2.gz	BXOZNAVZRFLINF-IZBJGVDFSA-N	1	0	350.503	1.648	20	30		FDEDRO
COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105614011	842265632	/nfs/dbraw/zinc/26/56/32/842265632.db2.gz	FBVQCZADGCVYQE-YWTNHNAXSA-N	1	0	360.458	1.112	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(COC)CCCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105636847	842268786	/nfs/dbraw/zinc/26/87/86/842268786.db2.gz	FKLGLANEGCLLKZ-IKVWTGGYSA-N	1	0	362.514	1.793	20	30		FDEDRO
N#Cc1cccc(N2CC[NH+](Cc3cc4c(cc3O)OC[C@H]4O)CC2)n1	ZINC000760553064	842275182	/nfs/dbraw/zinc/27/51/82/842275182.db2.gz	VQAYRZIKLSVQPS-QGZVFWFLSA-N	1	0	352.394	1.407	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)cnn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105646598	842409103	/nfs/dbraw/zinc/40/91/03/842409103.db2.gz	KKGBJMLRXMGEPK-QQTQMKHKSA-N	1	0	358.486	1.332	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)COC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105647703	842414670	/nfs/dbraw/zinc/41/46/70/842414670.db2.gz	UADMSTFXWOVPCG-WOCWXWTJSA-N	1	0	350.503	1.648	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(C(N)=O)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105653490	842455483	/nfs/dbraw/zinc/45/54/83/842455483.db2.gz	VXRQHSUTDBAXNR-JEWRLFTDSA-N	1	0	363.502	1.184	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1	ZINC000477202466	842458403	/nfs/dbraw/zinc/45/84/03/842458403.db2.gz	HLISCUTWHHBQRV-PDOICOKGSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)CNC(C)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105655318	842483314	/nfs/dbraw/zinc/48/33/14/842483314.db2.gz	HJYHVCPKMPNJMR-WOCWXWTJSA-N	1	0	365.518	1.301	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001105657119	842491538	/nfs/dbraw/zinc/49/15/38/842491538.db2.gz	WQRISNMMYZIZAP-ZTRFORPCSA-N	1	0	364.534	1.454	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CCO)C3)[C@@H]2C(C)C)CC1	ZINC001105657314	842494442	/nfs/dbraw/zinc/49/44/42/842494442.db2.gz	YCQSFSKITWODIE-WWNBULGVSA-N	1	0	350.503	1.691	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105660376	842531956	/nfs/dbraw/zinc/53/19/56/842531956.db2.gz	UIOPKNUEDRSOCK-WERVVEIQSA-N	1	0	355.482	1.993	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(CC)c2)C[C@@H]1O	ZINC001083470876	842653494	/nfs/dbraw/zinc/65/34/94/842653494.db2.gz	SNNYPIGVRJJVRL-ZRNYENFQSA-N	1	0	358.482	1.892	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(=O)N(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105661830	842742236	/nfs/dbraw/zinc/74/22/36/842742236.db2.gz	LDYOOWDEPVGWEK-VVWQDTPRSA-N	1	0	351.491	1.007	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3ncccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105663415	842810498	/nfs/dbraw/zinc/81/04/98/842810498.db2.gz	SUASZCAOANVAHY-DEPWHIHDSA-N	1	0	370.497	1.399	20	30		FDEDRO
Cc1nc(N2CC[C@@H]([N@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)c(Cl)cc1C#N	ZINC000461943620	843236469	/nfs/dbraw/zinc/23/64/69/843236469.db2.gz	XSQNJFMLRKCWNT-CYBMUJFWSA-N	1	0	373.848	1.704	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N[C@H]2CCC[C@@H]2C#N)CC1	ZINC000461952681	843248553	/nfs/dbraw/zinc/24/85/53/843248553.db2.gz	GMWFKWCXONKEGT-CVEARBPZSA-N	1	0	363.506	1.605	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C	ZINC000462098393	843312896	/nfs/dbraw/zinc/31/28/96/843312896.db2.gz	PJKNXARZFRZYPE-DZGCQCFKSA-N	1	0	353.430	2.052	20	30		FDEDRO
C[C@H](C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C)n1cnc(C#N)n1	ZINC000913100642	861415927	/nfs/dbraw/zinc/41/59/27/861415927.db2.gz	TUVAQVZTCSCPAM-INMHGKMJSA-N	1	0	352.442	1.738	20	30		FDEDRO
N#C[C@]1(c2ccccn2)CCCN(C(=O)C2C[NH+](C3CCOCC3)C2)C1	ZINC000898585551	844899369	/nfs/dbraw/zinc/89/93/69/844899369.db2.gz	BLJKFQKYUZBZHS-HXUWFJFHSA-N	1	0	354.454	1.576	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+][C@H]3CCc4ncc(Br)n4C3)cnc12	ZINC000898726087	845113496	/nfs/dbraw/zinc/11/34/96/845113496.db2.gz	XNVXQFRBTQTMBH-LBPRGKRZSA-N	1	0	372.230	1.665	20	30		FDEDRO
CC[C@H](C#N)Oc1cccc(CNC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)c1	ZINC000842180359	845368757	/nfs/dbraw/zinc/36/87/57/845368757.db2.gz	MXLQCSTVZDZNCD-JFIYKMOQSA-N	1	0	374.485	1.964	20	30		FDEDRO
COC1CCN(C2(C[NH2+][C@@H](C)C(=O)NC3(C#N)CCC3)CCCC2)CC1	ZINC000468971199	845611079	/nfs/dbraw/zinc/61/10/79/845611079.db2.gz	LMXLADVVHCXQOY-INIZCTEOSA-N	1	0	362.518	1.951	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000667737635	845696042	/nfs/dbraw/zinc/69/60/42/845696042.db2.gz	RKGOLVIJUWJWFB-SCTDSRPQSA-N	1	0	364.534	1.474	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1ccc(CC[NH3+])cc1	ZINC000842228701	845764458	/nfs/dbraw/zinc/76/44/58/845764458.db2.gz	ATVMRTIQLXULFG-UHFFFAOYSA-N	1	0	350.422	1.334	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C	ZINC000899100745	845797739	/nfs/dbraw/zinc/79/77/39/845797739.db2.gz	CMAJKBSTWOLRFZ-AYHJJNSGSA-N	1	0	368.481	1.989	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCCOCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105676569	845956946	/nfs/dbraw/zinc/95/69/46/845956946.db2.gz	XICKPRHDHDGOMM-LFGUQSLTSA-N	1	0	366.502	1.029	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1O	ZINC001083524197	846258277	/nfs/dbraw/zinc/25/82/77/846258277.db2.gz	LWHDSRMCNQUQAC-ZCNNSNEGSA-N	1	0	370.497	1.482	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)[C@@H](O)C1	ZINC001083539815	847122883	/nfs/dbraw/zinc/12/28/83/847122883.db2.gz	ULQMZTARVKPZOA-FCGDIQPGSA-N	1	0	360.454	1.271	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)[C@@H]2C1	ZINC001076087431	847232000	/nfs/dbraw/zinc/23/20/00/847232000.db2.gz	SERAWJLJDFIUPQ-WMLDXEAASA-N	1	0	355.442	1.444	20	30		FDEDRO
Cc1nc[nH]c(=O)c1C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]21	ZINC001076158083	847419686	/nfs/dbraw/zinc/41/96/86/847419686.db2.gz	XHYRQNAINZLBKV-SWLSCSKDSA-N	1	0	369.450	1.770	20	30		FDEDRO
CC[C@@H](C(=O)N1CC[C@H]2CN(Cc3cc(C#N)ccc3OC)C[C@H]21)[NH+](C)C	ZINC001076253571	847703020	/nfs/dbraw/zinc/70/30/20/847703020.db2.gz	MHZLKIJJPFJGKF-YTQUADARSA-N	1	0	370.497	1.940	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCCc3nc(C)no3)C[C@H]21	ZINC001076263485	847721645	/nfs/dbraw/zinc/72/16/45/847721645.db2.gz	DPGYYDPBLBGTJH-HZMVEIRTSA-N	1	0	360.458	1.434	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCc3cnn(CC)c3)C[C@H]21	ZINC001076263588	847721666	/nfs/dbraw/zinc/72/16/66/847721666.db2.gz	JOBSKPWCTGCNOM-MANSERQUSA-N	1	0	358.486	1.569	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3C[N@H+](CCC[C@@H]4CCOC4)C[C@H]32)nn1	ZINC001076336314	847882709	/nfs/dbraw/zinc/88/27/09/847882709.db2.gz	RVFIHANJCOQNGJ-SOLBZPMBSA-N	1	0	359.474	1.427	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cccnc4C)C[C@H]32)nn1	ZINC001076345309	847921330	/nfs/dbraw/zinc/92/13/30/847921330.db2.gz	ZZNSVPXJIMECTA-PKOBYXMFSA-N	1	0	366.469	1.904	20	30		FDEDRO
COc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)nn1	ZINC001076428238	848113650	/nfs/dbraw/zinc/11/36/50/848113650.db2.gz	LBZPZHYOYPDSRF-FUHWJXTLSA-N	1	0	363.421	1.703	20	30		FDEDRO
C=C(Br)CN1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1	ZINC001076457736	848182015	/nfs/dbraw/zinc/18/20/15/848182015.db2.gz	PJIPNKDVPLSILG-QLFBSQMISA-N	1	0	356.308	1.770	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(Cc4snnc4C)C[C@H]32)cn1	ZINC001076476915	848242201	/nfs/dbraw/zinc/24/22/01/848242201.db2.gz	HPHIREDWWDPJEO-GOEBONIOSA-N	1	0	353.451	1.569	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCc4ccccc4)[C@@H]3C2)C1=O	ZINC001076492598	848272680	/nfs/dbraw/zinc/27/26/80/848272680.db2.gz	WVRUNWPXRKISRG-SLFFLAALSA-N	1	0	367.493	1.939	20	30		FDEDRO
COc1c(C(=O)N2CC[C@H]3CN(CC#Cc4ccccc4)C[C@H]32)cnn1C	ZINC001076507092	848280718	/nfs/dbraw/zinc/28/07/18/848280718.db2.gz	RKRVBDBJPBTHLI-PKOBYXMFSA-N	1	0	364.449	1.627	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C1	ZINC000938219920	848399829	/nfs/dbraw/zinc/39/98/29/848399829.db2.gz	AMVAERRGAKBJDV-MPGHIAIKSA-N	1	0	368.437	1.875	20	30		FDEDRO
C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(CC#Cc4ccc(F)cc4)C[C@H]32)C1	ZINC001076569471	848466975	/nfs/dbraw/zinc/46/69/75/848466975.db2.gz	YEYOXVDAHXDJCU-CMKODMSKSA-N	1	0	355.457	1.662	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1	ZINC001076726282	848855128	/nfs/dbraw/zinc/85/51/28/848855128.db2.gz	CAMYODWUKZWRJA-WBAXXEDZSA-N	1	0	370.453	1.940	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)C[N@H+](C)C1CCC1	ZINC001076727066	848898376	/nfs/dbraw/zinc/89/83/76/848898376.db2.gz	FJJHENNXQVWYDN-ZVZYQTTQSA-N	1	0	351.491	1.463	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C)([NH+](C)C)CC2)cc1	ZINC000913400765	861962950	/nfs/dbraw/zinc/96/29/50/861962950.db2.gz	VIUSUGPSAOAHNF-UHFFFAOYSA-N	1	0	363.483	1.154	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCc4ccc(F)cc43)C[C@H]2O)c1	ZINC001076855639	849212941	/nfs/dbraw/zinc/21/29/41/849212941.db2.gz	FXIGKKXKOTYAKP-CEXWTWQISA-N	1	0	368.412	1.878	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(CC)cc2)C[C@H]1O	ZINC001077016601	849547728	/nfs/dbraw/zinc/54/77/28/849547728.db2.gz	UWRLCDQULUCADI-WTGUMLROSA-N	1	0	358.482	1.892	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3F)C[C@H]2O)CC[N@@H+]1C	ZINC001077027657	849575744	/nfs/dbraw/zinc/57/57/44/849575744.db2.gz	OEWUIVVLOOPAEW-JCHJZTRSSA-N	1	0	374.460	1.089	20	30		FDEDRO
CO[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000483731065	849902594	/nfs/dbraw/zinc/90/25/94/849902594.db2.gz	QZVBTWUFINFOJQ-HOCLYGCPSA-N	1	0	361.446	1.051	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1cc(C)cn(C)c1=O)C(C)C	ZINC000483815628	849992409	/nfs/dbraw/zinc/99/24/09/849992409.db2.gz	HTRUKUIEDJTMJG-KRWDZBQOSA-N	1	0	374.485	1.447	20	30		FDEDRO
O=C(N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O)C12CCC[NH+](CCC1)C2	ZINC001077219180	850132854	/nfs/dbraw/zinc/13/28/54/850132854.db2.gz	LKHGBDHCLDUHEI-WOJBJXKFSA-N	1	0	367.493	1.075	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O	ZINC001077280533	850382336	/nfs/dbraw/zinc/38/23/36/850382336.db2.gz	CAKYHVPNDVVBRC-HSALFYBXSA-N	1	0	370.497	1.340	20	30		FDEDRO
C=CCCC[C@H]1NC(=O)N(Cc2ccnc(N3CC[NH+](C)CC3)c2)C1=O	ZINC000904142558	850987846	/nfs/dbraw/zinc/98/78/46/850987846.db2.gz	XOSICLXRPVGTDR-MRXNPFEDSA-N	1	0	357.458	1.610	20	30		FDEDRO
O=C([C@@H]1CC[N@@H+]1C1CCCC1)N(O)CCCN1C(=O)c2ccccc2C1=O	ZINC000904186054	851005863	/nfs/dbraw/zinc/00/58/63/851005863.db2.gz	OTRZEQVHVYEUAX-KRWDZBQOSA-N	1	0	371.437	1.907	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1	ZINC000904986021	851586691	/nfs/dbraw/zinc/58/66/91/851586691.db2.gz	HIYZIDCEFOPTBR-JKSUJKDBSA-N	1	0	374.510	1.816	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H]([NH2+]C[C@@H](O)CC3(CO)CCCC3)C2=O)cc1	ZINC000905229259	851738060	/nfs/dbraw/zinc/73/80/60/851738060.db2.gz	ITSZHBYCECSJOD-RBUKOAKNSA-N	1	0	371.481	1.552	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)CNC(=O)c1sc2ccccc2c1Cl	ZINC000913514974	862293460	/nfs/dbraw/zinc/29/34/60/862293460.db2.gz	CTWUXHXXMQIGIH-UHFFFAOYSA-N	1	0	363.870	1.966	20	30		FDEDRO
C#CCC[C@H](O)C[NH2+]C[C@@]1(O)CCCN(C(=O)OCc2ccccc2)C1	ZINC000905365343	851892258	/nfs/dbraw/zinc/89/22/58/851892258.db2.gz	OLFKMAMWGKISRK-ICSRJNTNSA-N	1	0	360.454	1.514	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000913516474	862298432	/nfs/dbraw/zinc/29/84/32/862298432.db2.gz	RKLZKDBFMCQXIZ-KRWDZBQOSA-N	1	0	359.470	1.804	20	30		FDEDRO
Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NCC#CC[NH+](C)C	ZINC000913516753	862299400	/nfs/dbraw/zinc/29/94/00/862299400.db2.gz	DNBJXBUOSZGRRU-UHFFFAOYSA-N	1	0	373.482	1.124	20	30		FDEDRO
CN(CC(=O)NCC#CC[NH+](C)C)C(=O)c1ccc(Br)s1	ZINC000913517860	862301436	/nfs/dbraw/zinc/30/14/36/862301436.db2.gz	SHQWJQNEUACCLA-UHFFFAOYSA-N	1	0	372.288	1.264	20	30		FDEDRO
CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NCC#CC[NH+](C)C)CC1	ZINC000913518400	862301989	/nfs/dbraw/zinc/30/19/89/862301989.db2.gz	NOANWZKTDSYCCS-UHFFFAOYSA-N	1	0	370.497	1.632	20	30		FDEDRO
C#CCN1CCC[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000905459875	851962832	/nfs/dbraw/zinc/96/28/32/851962832.db2.gz	IJBBRMUMYKHCHF-AWEZNQCLSA-N	1	0	351.428	1.056	20	30		FDEDRO
COc1cccc([C@@H]2[C@H](C(=O)NCC#CC[NH+](C)C)CC(=O)N2C2CC2)c1	ZINC000913520240	862304925	/nfs/dbraw/zinc/30/49/25/862304925.db2.gz	JCQXPECXPFQZTL-UYAOXDASSA-N	1	0	369.465	1.428	20	30		FDEDRO
CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCC#CC[NH+](C)C)c1cnn(C)c1	ZINC000913520842	862306847	/nfs/dbraw/zinc/30/68/47/862306847.db2.gz	AEHKDRMZGQZOEE-OAHLLOKOSA-N	1	0	363.462	1.009	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]CC2(C3(O)CCOCC3)CC2)cc1	ZINC000905555018	852029285	/nfs/dbraw/zinc/02/92/85/852029285.db2.gz	YFIMKMRGOAFLQP-KRWDZBQOSA-N	1	0	360.454	1.404	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCO[C@](C)(C[NH2+]C[C@H](O)CC(C)(C)C#N)C1	ZINC000905589565	852080615	/nfs/dbraw/zinc/08/06/15/852080615.db2.gz	ZGUSZCRMXWVKAS-RDTXWAMCSA-N	1	0	355.479	1.903	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]CCOC2CCSCC2)cc1	ZINC000905706859	852194454	/nfs/dbraw/zinc/19/44/54/852194454.db2.gz	WCXPBNAHOVOFII-MRXNPFEDSA-N	1	0	350.484	1.994	20	30		FDEDRO
N#C[C@@H]1CCCN(CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)C1	ZINC000905725376	852228254	/nfs/dbraw/zinc/22/82/54/852228254.db2.gz	RKWGDASHYBNSBA-OKZBNKHCSA-N	1	0	352.438	1.296	20	30		FDEDRO
N#C[C@@]1(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC2CCC1CC2	ZINC000906713721	853203079	/nfs/dbraw/zinc/20/30/79/853203079.db2.gz	FYYFOPBPNBCUCB-ZZVGESKWSA-N	1	0	360.502	1.229	20	30		FDEDRO
C#Cc1ccc(S(=O)(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cc1	ZINC000906887218	853503791	/nfs/dbraw/zinc/50/37/91/853503791.db2.gz	KBGWAPUEZDUGPM-UHFFFAOYSA-N	1	0	362.495	1.791	20	30		FDEDRO
C#Cc1ccc(S(=O)(=O)NC2CC[NH+](CCOC(C)C)CC2)cc1	ZINC000907015498	853695872	/nfs/dbraw/zinc/69/58/72/853695872.db2.gz	DCTQUPCIPRTNKW-UHFFFAOYSA-N	1	0	350.484	1.836	20	30		FDEDRO
C#Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1	ZINC000907077520	853745827	/nfs/dbraw/zinc/74/58/27/853745827.db2.gz	AEOLSRZDDFDIJF-QFBILLFUSA-N	1	0	361.511	1.314	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1OC	ZINC001212148275	862528605	/nfs/dbraw/zinc/52/86/05/862528605.db2.gz	FQQIMYLREHDAMC-RCCFBDPRSA-N	1	0	352.475	1.191	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)NC[C@@](C)(O)Cc1ccc(OC)c(OC)c1	ZINC000908290996	855287093	/nfs/dbraw/zinc/28/70/93/855287093.db2.gz	HIDNVTACSMARIE-IBGZPJMESA-N	1	0	350.459	1.621	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000908369079	855354083	/nfs/dbraw/zinc/35/40/83/855354083.db2.gz	GTVZLTJSUNBAPL-ZJPYXAASSA-N	1	0	365.518	1.661	20	30		FDEDRO
CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc(C#N)cn2)[NH+](C)C)cc1	ZINC000908460213	855445381	/nfs/dbraw/zinc/44/53/81/855445381.db2.gz	PDPGRKDJMLZCRO-KRWDZBQOSA-N	1	0	373.482	1.600	20	30		FDEDRO
CN(C)c1ccc([C@@H](CNS(=O)(=O)N(C)CCC#N)[NH+](C)C)cc1	ZINC000908458336	855471681	/nfs/dbraw/zinc/47/16/81/855471681.db2.gz	UUMGVAHCZJPHGR-MRXNPFEDSA-N	1	0	353.492	1.035	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)OC(C)C)CC1	ZINC000908486161	855501100	/nfs/dbraw/zinc/50/11/00/855501100.db2.gz	BAAFUJGGXFIGMS-IBGZPJMESA-N	1	0	372.465	1.716	20	30		FDEDRO
C=CCOCCN1CC(OC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1	ZINC001105708382	856291669	/nfs/dbraw/zinc/29/16/69/856291669.db2.gz	DTIPRHLLMABSTK-VQIMIIECSA-N	1	0	365.518	1.221	20	30		FDEDRO
CC(C)(C(=O)NCC(=O)NCC[NH+]1CCCCC1)c1ccc(C#N)cc1	ZINC000909313820	856431290	/nfs/dbraw/zinc/43/12/90/856431290.db2.gz	ZTHKSUTXUXLGDZ-UHFFFAOYSA-N	1	0	356.470	1.554	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1CCOC	ZINC000668788401	856573802	/nfs/dbraw/zinc/57/38/02/856573802.db2.gz	ZHJUKGRECXMXAX-IXDOHACOSA-N	1	0	351.491	1.465	20	30		FDEDRO
COCC[N@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)[C@@H]1CCC[C@@H]1C	ZINC000488010500	856979574	/nfs/dbraw/zinc/97/95/74/856979574.db2.gz	PUYFGSQGTHKBFZ-IPMKNSEASA-N	1	0	364.534	1.816	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)[C@@]2(C#N)CC3CCC2CC3)(N2CCOCC2)CC1	ZINC000910409141	857167341	/nfs/dbraw/zinc/16/73/41/857167341.db2.gz	OLPUBOKHGFFTRP-WIXQSORDSA-N	1	0	374.529	1.619	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2nccc(OC)c2F)CC1	ZINC000668836107	857523162	/nfs/dbraw/zinc/52/31/62/857523162.db2.gz	QOJUKHLAFAUJCR-UHFFFAOYSA-N	1	0	364.421	1.002	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)O[C@@](C)(C(F)F)C2)CC1	ZINC000668835961	857525297	/nfs/dbraw/zinc/52/52/97/857525297.db2.gz	NHZWTSWKCSMYKB-SCLBCKFNSA-N	1	0	373.444	1.414	20	30		FDEDRO
CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)Cc2cc(C#N)cs2)CC1	ZINC000910737309	857574840	/nfs/dbraw/zinc/57/48/40/857574840.db2.gz	SEMMACVZTPLPJY-UHFFFAOYSA-N	1	0	362.499	1.911	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H](CO)Cc2ccccc2)CC1	ZINC000668841246	857667784	/nfs/dbraw/zinc/66/77/84/857667784.db2.gz	HXLVRUNBJGKRDQ-LJQANCHMSA-N	1	0	373.497	1.205	20	30		FDEDRO
CS[C@H]1CCN(C(=O)C(=O)N(c2ccc(C#N)cn2)[C@H]2CCC[NH2+]C2)C1	ZINC000910858653	857787961	/nfs/dbraw/zinc/78/79/61/857787961.db2.gz	RCMWUKFINIXBOF-GJZGRUSLSA-N	1	0	373.482	1.002	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C(=O)N(c2ccc(C#N)cn2)[C@H]2CCC[NH2+]C2)C[C@@H]1C	ZINC000910858854	857788940	/nfs/dbraw/zinc/78/89/40/857788940.db2.gz	VLEVAQOYLJSRBP-VYDXJSESSA-N	1	0	369.469	1.543	20	30		FDEDRO
N#Cc1ccc(N(C(=O)C(=O)N2CC[C@H](C3CC3)C2)[C@@H]2CCC[NH2+]C2)nc1	ZINC000910858737	857789096	/nfs/dbraw/zinc/78/90/96/857789096.db2.gz	UFFMONVXHLBJGX-DLBZAZTESA-N	1	0	367.453	1.297	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)N(C(=O)[C@H]1CCC[NH2+]C1)c1ccccc1OC	ZINC000910866295	857801662	/nfs/dbraw/zinc/80/16/62/857801662.db2.gz	QPXXBJIGGCMFCP-AWEZNQCLSA-N	1	0	359.426	1.199	20	30		FDEDRO
C#CCN(C(=O)C(=O)N(C)Cc1c(F)cccc1F)C1CC[NH+](C)CC1	ZINC000910882391	857830906	/nfs/dbraw/zinc/83/09/06/857830906.db2.gz	DISONZCPHIEXIZ-UHFFFAOYSA-N	1	0	363.408	1.479	20	30		FDEDRO
C#CCN(C(=O)C(=O)N(C)Cc1ccc(OC)c(C)c1)C1CC[NH+](C)CC1	ZINC000910885766	857836823	/nfs/dbraw/zinc/83/68/23/857836823.db2.gz	MVMIOEQRVIWELM-UHFFFAOYSA-N	1	0	371.481	1.518	20	30		FDEDRO
C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1	ZINC000669333774	862996236	/nfs/dbraw/zinc/99/62/36/862996236.db2.gz	WGNHWYXCAKADAC-UHFFFAOYSA-N	1	0	358.494	1.960	20	30		FDEDRO
C=C(C)Cn1c(-c2cc[nH]n2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000669335552	863008680	/nfs/dbraw/zinc/00/86/80/863008680.db2.gz	NEKXZBAPPQGDRS-HNNXBMFYSA-N	1	0	357.462	1.545	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C	ZINC000911400664	858586786	/nfs/dbraw/zinc/58/67/86/858586786.db2.gz	MUBNFGUXHXLGAI-NVXWUHKLSA-N	1	0	359.470	1.572	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1C#N	ZINC000911432706	858614463	/nfs/dbraw/zinc/61/44/63/858614463.db2.gz	QESGMWOEYPXISO-GOSISDBHSA-N	1	0	368.481	1.721	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1	ZINC000911557748	858762201	/nfs/dbraw/zinc/76/22/01/858762201.db2.gz	QIDAVJDTTZWDPH-KRWDZBQOSA-N	1	0	359.470	1.858	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)nn2)C1	ZINC000999192827	912212298	/nfs/dbraw/zinc/21/22/98/912212298.db2.gz	IGTCZZLBNZSKJN-ZACQAIPSSA-N	1	0	360.458	1.547	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)Nc1ccc(C(=O)N=[S@@](C)(=O)N(C)C)cc1	ZINC000912595125	859927538	/nfs/dbraw/zinc/92/75/38/859927538.db2.gz	LPPWCZQLVNDSKR-XMMPIXPASA-N	1	0	352.460	1.458	20	30		FDEDRO
COc1ccc(C(C)=NN[C@@H]2CCS(=O)(=O)C2)cc1C[NH+]1CCCC1	ZINC000916239902	881479759	/nfs/dbraw/zinc/47/97/59/881479759.db2.gz	PZXQXDBRGAZXMT-QGZVFWFLSA-N	1	0	365.499	1.792	20	30		FDEDRO
COc1ccc(C(C)=NN[C@H]2CCS(=O)(=O)C2)cc1C[NH+]1CCCC1	ZINC000916239901	881479847	/nfs/dbraw/zinc/47/98/47/881479847.db2.gz	PZXQXDBRGAZXMT-KRWDZBQOSA-N	1	0	365.499	1.792	20	30		FDEDRO
Cc1cc(C(=O)N(C)CC[N@H+](C)CCO)c(C)n1-c1ccc(C#N)cc1	ZINC000912607608	859950623	/nfs/dbraw/zinc/95/06/23/859950623.db2.gz	XVXLSPNXEZHZFV-UHFFFAOYSA-N	1	0	354.454	1.962	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCO[C@@H](CF)C1	ZINC000669032883	860837332	/nfs/dbraw/zinc/83/73/32/860837332.db2.gz	XZXWKFPIYWIACO-ILXRZTDVSA-N	1	0	351.426	1.175	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001105843806	863446302	/nfs/dbraw/zinc/44/63/02/863446302.db2.gz	KIUPCPZUCXSWRD-SUMDDJOVSA-N	1	0	360.429	1.277	20	30		FDEDRO
C=CCc1cc(CNC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cc(OC)c1OC	ZINC000669430418	863460732	/nfs/dbraw/zinc/46/07/32/863460732.db2.gz	QEDLWWPMTDMKCB-GUYCJALGSA-N	1	0	363.458	1.690	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]C[C@@H](O)Cc1ccccc1	ZINC001105846325	863476291	/nfs/dbraw/zinc/47/62/91/863476291.db2.gz	RMLFOJJQGYEQRD-NXHRZFHOSA-N	1	0	361.511	1.531	20	30		FDEDRO
CCc1noc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)CSCC#N)C[C@H]2C)n1	ZINC001105850667	863489158	/nfs/dbraw/zinc/48/91/58/863489158.db2.gz	SUOHQPKELBCRKX-JHJVBQTASA-N	1	0	351.476	1.634	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]C[C@H](O)c1ccc(F)cc1	ZINC001105848233	863493711	/nfs/dbraw/zinc/49/37/11/863493711.db2.gz	QPKKLXSLOPLCLH-UNEWFSDZSA-N	1	0	365.474	1.800	20	30		FDEDRO
CC(C)n1ncnc1C[NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C	ZINC001105849046	863495820	/nfs/dbraw/zinc/49/58/20/863495820.db2.gz	CBQUDHDWZNBANO-ZIAGYGMSSA-N	1	0	350.492	1.300	20	30		FDEDRO
Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CSCC#N)C2)n1	ZINC001111600256	863601344	/nfs/dbraw/zinc/60/13/44/863601344.db2.gz	PNPAIXSECSTXDE-RDJZCZTQSA-N	1	0	362.503	1.122	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)COCCC)C[C@H]2C)c1	ZINC001105904656	863834358	/nfs/dbraw/zinc/83/43/58/863834358.db2.gz	NIGGRQHXEUQDRV-SJLPKXTDSA-N	1	0	371.481	1.717	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@H](C(F)(F)F)C3)CC2)o1	ZINC000761044963	863925850	/nfs/dbraw/zinc/92/58/50/863925850.db2.gz	MYPLLVQTJUTPJO-GFCCVEGCSA-N	1	0	371.363	1.388	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nc(CC)no2)[C@H](C)C1	ZINC001105910827	863927262	/nfs/dbraw/zinc/92/72/62/863927262.db2.gz	YHLDVLZSTYNVHU-QLFBSQMISA-N	1	0	350.463	1.797	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CCC2)[C@H](C)C1	ZINC001105912983	863949978	/nfs/dbraw/zinc/94/99/78/863949978.db2.gz	QRCQTBGKTKAUBA-SOLBZPMBSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCOC[C@@H]2C2CC2)[C@H](C)C1	ZINC001105929374	864063549	/nfs/dbraw/zinc/06/35/49/864063549.db2.gz	NGVNCLYBRNGUAY-KBAYOESNSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)Cc2ccc(F)cc2)[C@H](C)C1	ZINC001105941599	864150378	/nfs/dbraw/zinc/15/03/78/864150378.db2.gz	DELZMKSGIBIPAO-SZVBFZGTSA-N	1	0	364.461	1.616	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCC2CCCCC2)[C@H](C)C1	ZINC001105946685	864191349	/nfs/dbraw/zinc/19/13/49/864191349.db2.gz	YPVDZKWBDSSNRB-LZLYRXPVSA-N	1	0	362.518	1.917	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]Cc2cc(OC)no2)[C@H](C)C1	ZINC001105981864	864326394	/nfs/dbraw/zinc/32/63/94/864326394.db2.gz	HORNFDLBPLYLNI-HUUCEWRRSA-N	1	0	351.447	1.850	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+][C@@H]2CCN(C(C)C)C2=O)[C@H](C)C1	ZINC001105984260	864340208	/nfs/dbraw/zinc/34/02/08/864340208.db2.gz	CHBONQWSGBLENI-KZNAEPCWSA-N	1	0	365.518	1.663	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]CC(=O)NC1CCCC1	ZINC001105985565	864344437	/nfs/dbraw/zinc/34/44/37/864344437.db2.gz	OAQWSJGJQNOPSS-UKRRQHHQSA-N	1	0	357.458	1.243	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC001105985934	864354341	/nfs/dbraw/zinc/35/43/41/864354341.db2.gz	VLPSLPYJPXVBPM-NVXWUHKLSA-N	1	0	371.485	1.609	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CC(F)(F)C2)C[C@H]1C	ZINC001105997803	864449962	/nfs/dbraw/zinc/44/99/62/864449962.db2.gz	BTEUCTCRZBUFDJ-UKRRQHHQSA-N	1	0	370.444	1.478	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCNC2=O)CCN1Cc1cc(C#N)ccc1F	ZINC001088854673	864690272	/nfs/dbraw/zinc/69/02/72/864690272.db2.gz	XPDLKXGHBIANBO-GFJSAUFNSA-N	1	0	358.417	1.303	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2CCCC)[C@H](C)C1	ZINC001106029186	864875859	/nfs/dbraw/zinc/87/58/59/864875859.db2.gz	KHPQZVMHQSFGDS-IAGOWNOFSA-N	1	0	360.506	1.851	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1CN(C[C@H]2COc3ccccc3O2)C[C@H]1OC	ZINC001212187195	864893720	/nfs/dbraw/zinc/89/37/20/864893720.db2.gz	LEQHIXNNBKHUMU-FRQCXROJSA-N	1	0	358.438	1.445	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]CCc2ccc(C)cc2)[C@H](C)C1	ZINC001106035315	864916387	/nfs/dbraw/zinc/91/63/87/864916387.db2.gz	SDGHJMAATVEHJF-IEBWSBKVSA-N	1	0	355.482	1.361	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)[C@H](C)C1	ZINC001106035640	864916553	/nfs/dbraw/zinc/91/65/53/864916553.db2.gz	WVJYLFCOIMPIDN-SJLPKXTDSA-N	1	0	371.481	1.327	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(CCC)CCC)[C@H](C)C1	ZINC001106059180	865068803	/nfs/dbraw/zinc/06/88/03/865068803.db2.gz	OGFUHSRZXIEHOD-HLIPFELVSA-N	1	0	367.534	1.646	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nnc(C3CC3)n2C)[C@H](C)C1	ZINC001106059220	865069417	/nfs/dbraw/zinc/06/94/17/865069417.db2.gz	PKBGMALQRFJFLL-ZXYWRSMDSA-N	1	0	361.490	1.204	20	30		FDEDRO
CC[C@H](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CCC#N)[C@H](C)C1	ZINC001106062528	865089286	/nfs/dbraw/zinc/08/92/86/865089286.db2.gz	VEZNJPSUTHKGNW-GVDBMIGSSA-N	1	0	350.507	1.869	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](OC)C2CC2)C[C@H]1C	ZINC001106071722	865207868	/nfs/dbraw/zinc/20/78/68/865207868.db2.gz	OGLUGJDELOYIFQ-SUMDDJOVSA-N	1	0	365.518	1.520	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCc2ccccc2C(N)=O)C[C@H]1C	ZINC001106876046	881850542	/nfs/dbraw/zinc/85/05/42/881850542.db2.gz	OYUCQOUXZRPLCK-SJLPKXTDSA-N	1	0	371.481	1.052	20	30		FDEDRO
CCOCCOCCCC(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1	ZINC001106876423	881852936	/nfs/dbraw/zinc/85/29/36/881852936.db2.gz	UYNOXTYDQDQBJN-QZTJIDSGSA-N	1	0	354.491	1.154	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CCOc3ccccc3)[C@@H]2C)nn1	ZINC001088906602	865369095	/nfs/dbraw/zinc/36/90/95/865369095.db2.gz	DFOSLBDYDUBQLR-WBVHZDCISA-N	1	0	355.442	1.736	20	30		FDEDRO
C=CCC(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001061591277	881875098	/nfs/dbraw/zinc/87/50/98/881875098.db2.gz	DDIWMVGNNYFGHP-IXDOHACOSA-N	1	0	365.518	1.663	20	30		FDEDRO
CCn1nc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)ccc1=O	ZINC001088928251	865519061	/nfs/dbraw/zinc/51/90/61/865519061.db2.gz	VBGQSTDZEPTISJ-PBHICJAKSA-N	1	0	365.437	1.528	20	30		FDEDRO
C[NH+](C)C[C@H]1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000172507475	865653329	/nfs/dbraw/zinc/65/33/29/865653329.db2.gz	VKSYENQKHFNXNL-QGZVFWFLSA-N	1	0	355.442	1.163	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCCN2C(N)=O)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088971903	865811422	/nfs/dbraw/zinc/81/14/22/865811422.db2.gz	JDFMFIFXSLJGJC-JLSDUUJJSA-N	1	0	369.469	1.570	20	30		FDEDRO
Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@H](CN2CCOCC2)C1	ZINC000172936203	865847628	/nfs/dbraw/zinc/84/76/28/865847628.db2.gz	VFPLMVQLXHTUCJ-GOSISDBHSA-N	1	0	366.469	1.737	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCc2ccccc2CC)C[C@H]1OC	ZINC001212193331	865943538	/nfs/dbraw/zinc/94/35/38/865943538.db2.gz	DDIFADGABFROBE-SBHAEUEKSA-N	1	0	360.498	1.934	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](CC2CCOCC2)[C@@H]1C	ZINC001088989776	865946083	/nfs/dbraw/zinc/94/60/83/865946083.db2.gz	NUOUDQGDUWGURI-QAPCUYQASA-N	1	0	357.454	1.713	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCCc2cccc(F)c2)C[C@H]1OC	ZINC001212193477	865970695	/nfs/dbraw/zinc/97/06/95/865970695.db2.gz	GCDYXBCCRUBJBA-GGPKGHCWSA-N	1	0	364.461	1.901	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(C(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000991978045	866726043	/nfs/dbraw/zinc/72/60/43/866726043.db2.gz	TZHWQRRWSACPII-ROUUACIJSA-N	1	0	368.437	1.646	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1	ZINC000992037353	867344743	/nfs/dbraw/zinc/34/47/43/867344743.db2.gz	CMLVCQQWKUJLGH-KSZLIROESA-N	1	0	361.486	1.169	20	30		FDEDRO
C#CCN(C(=O)NCCCNC(=O)OC(C)(C)C)C1CC[NH+](C)CC1	ZINC000916694708	882073583	/nfs/dbraw/zinc/07/35/83/882073583.db2.gz	IRLOVSRDOHUOIW-UHFFFAOYSA-N	1	0	352.479	1.640	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H](OC)C1	ZINC000946775963	882073960	/nfs/dbraw/zinc/07/39/60/882073960.db2.gz	WQNDUCFWQPJGRN-ARFHVFGLSA-N	1	0	351.491	1.273	20	30		FDEDRO
COc1ccnc(C(=N)Nc2cccc3cc([C@H]4C[NH2+]CCO4)cn32)n1	ZINC001168427251	867478871	/nfs/dbraw/zinc/47/88/71/867478871.db2.gz	BLQWLPWPKNIGCD-CQSZACIVSA-N	1	0	352.398	1.436	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1	ZINC000994305522	882087220	/nfs/dbraw/zinc/08/72/20/882087220.db2.gz	GDWBMKZNGZPXSQ-IIDMSEBBSA-N	1	0	356.470	1.732	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1	ZINC000992075085	867702821	/nfs/dbraw/zinc/70/28/21/867702821.db2.gz	SOELFPONYQDUIZ-SQNIBIBYSA-N	1	0	361.486	1.169	20	30		FDEDRO
CC[C@H]1CN(C(=O)NCc2ccc(C#N)c(OC)c2)CC[N@@H+]1CCOC	ZINC000462469954	867998321	/nfs/dbraw/zinc/99/83/21/867998321.db2.gz	BLCGJWDHIFXYFX-KRWDZBQOSA-N	1	0	360.458	1.819	20	30		FDEDRO
COc1cc(CNC(=O)N(C)CCCN2CC[NH+](C)CC2)ccc1C#N	ZINC000462478995	868008627	/nfs/dbraw/zinc/00/86/27/868008627.db2.gz	VNYKAQGJLPMCGM-UHFFFAOYSA-N	1	0	359.474	1.346	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)=C2CCC2)C[C@H]1C	ZINC001106101877	868109123	/nfs/dbraw/zinc/10/91/23/868109123.db2.gz	LLWACHRYZYYBPP-CZUORRHYSA-N	1	0	362.474	1.183	20	30		FDEDRO
C#CCCCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001061621818	882158406	/nfs/dbraw/zinc/15/84/06/882158406.db2.gz	GGWWKTNHGPQCMU-OKZBNKHCSA-N	1	0	363.502	1.254	20	30		FDEDRO
C[C@@H](NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C)c1ccco1	ZINC001106106004	868163757	/nfs/dbraw/zinc/16/37/57/868163757.db2.gz	CTXFHSGNXGCADD-BFYDXBDKSA-N	1	0	357.454	1.554	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C)C(=O)NCc1ccco1	ZINC001106106031	868165535	/nfs/dbraw/zinc/16/55/35/868165535.db2.gz	DTMLUZYCXVXKSG-BFYDXBDKSA-N	1	0	357.454	1.382	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1[N@H+](CC(=O)N1CCCC1)CC2	ZINC000992184777	868216032	/nfs/dbraw/zinc/21/60/32/868216032.db2.gz	XNTCJAMXHNZADW-NHAYFPRASA-N	1	0	361.486	1.313	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@](C(=O)OC)(c2ccccc2)C1	ZINC000428799926	868228267	/nfs/dbraw/zinc/22/82/67/868228267.db2.gz	KYEWTRMYZBFPHY-LIRRHRJNSA-N	1	0	359.426	1.203	20	30		FDEDRO
CC(C)(C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cc(F)cc(C#N)c1	ZINC000509196668	882169887	/nfs/dbraw/zinc/16/98/87/882169887.db2.gz	OJMMVQDTHFHGOA-OAHLLOKOSA-N	1	0	374.460	1.679	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]2CC1	ZINC000946786359	882170992	/nfs/dbraw/zinc/17/09/92/882170992.db2.gz	IPRGTTSCQJKXPN-XDNAFOTISA-N	1	0	356.470	1.738	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cnn(C)n3)C[C@H]2CC1	ZINC000946786076	882171074	/nfs/dbraw/zinc/17/10/74/882171074.db2.gz	DDGXRNGECKESMM-ATLSCFEFSA-N	1	0	359.474	1.077	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C[NH2+]Cc1noc2c1COCC2	ZINC001106109107	868298412	/nfs/dbraw/zinc/29/84/12/868298412.db2.gz	DJHNOZBIMQNNKB-HUUCEWRRSA-N	1	0	359.470	1.981	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CC3(COC)CC3)C[C@H]2C)C1=O	ZINC001106113521	868471995	/nfs/dbraw/zinc/47/19/95/868471995.db2.gz	FMWFLVUSKDYLDX-ZACQAIPSSA-N	1	0	363.502	1.274	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C(C)C)C(C)C)[C@H](C)C1	ZINC001106114549	868496796	/nfs/dbraw/zinc/49/67/96/868496796.db2.gz	BTXVRSJCIGAWBH-QZTJIDSGSA-N	1	0	365.518	1.356	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2cccc(NC(C)=O)c2)[C@H](C)C1	ZINC001106115454	868523511	/nfs/dbraw/zinc/52/35/11/868523511.db2.gz	XDOREBFKCWYUEW-VQIMIIECSA-N	1	0	371.481	1.869	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nc(C3CCC3)no2)[C@H](C)C1	ZINC001106116519	868577788	/nfs/dbraw/zinc/57/77/88/868577788.db2.gz	FHNHRSDDBSQIGH-IIAWOOMASA-N	1	0	360.458	1.560	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CCCOCC(F)(F)F)[C@H](C)C1	ZINC001106116975	868582890	/nfs/dbraw/zinc/58/28/90/868582890.db2.gz	VNMWJZJTZFMITR-QLFBSQMISA-N	1	0	364.408	1.678	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1	ZINC001033288416	882212266	/nfs/dbraw/zinc/21/22/66/882212266.db2.gz	BCXOAEAHACRLLD-OTWHNJEPSA-N	1	0	365.518	1.365	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(C)CC)C1	ZINC001112327920	868840979	/nfs/dbraw/zinc/84/09/79/868840979.db2.gz	GRCDAJKANQBNLA-IPELMVKDSA-N	1	0	351.491	1.010	20	30		FDEDRO
C=CCCOCCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC2)[C@H](C)C1	ZINC001106123339	868894321	/nfs/dbraw/zinc/89/43/21/868894321.db2.gz	QSXMHPCYPMYWMN-QZTJIDSGSA-N	1	0	365.518	1.666	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nc(C(C)C)oc2C)C[C@H]1C	ZINC001106124444	868911589	/nfs/dbraw/zinc/91/15/89/868911589.db2.gz	PDPBVGCGMCGBQQ-UKRRQHHQSA-N	1	0	362.474	1.706	20	30		FDEDRO
C[C@@H](CC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1)NC(N)=O	ZINC001106126217	868994262	/nfs/dbraw/zinc/99/42/62/868994262.db2.gz	MRQQRSVAUCVNDX-JKIFEVAISA-N	1	0	357.458	1.189	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000992391575	869190197	/nfs/dbraw/zinc/19/01/97/869190197.db2.gz	JFWPSBBMSLKFGK-RBUKOAKNSA-N	1	0	353.466	1.268	20	30		FDEDRO
CC(C)(CNC(=O)C[NH2+]C1(c2cccc(C#N)c2)CC1)N1CCOCC1	ZINC000271806917	869202568	/nfs/dbraw/zinc/20/25/68/869202568.db2.gz	QEBVXNGHRKKWBU-UHFFFAOYSA-N	1	0	356.470	1.364	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Cc1c(F)cccc1C#N	ZINC000509208585	882286059	/nfs/dbraw/zinc/28/60/59/882286059.db2.gz	FCGNQIIPRMHYRJ-QGZVFWFLSA-N	1	0	360.433	1.299	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(C)cc(C)c2)C[C@@H]1O	ZINC001083853357	882294381	/nfs/dbraw/zinc/29/43/81/882294381.db2.gz	PWMVULKFEDMERF-YRPNKDGESA-N	1	0	358.482	1.946	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)C[N@@H+](C)C(C)C)C1	ZINC001060420021	869488302	/nfs/dbraw/zinc/48/83/02/869488302.db2.gz	KXXHCTGXBZDCRU-BBWFWOEESA-N	1	0	351.491	1.273	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)CC[N@@H+](C)CC)C1	ZINC001060420394	869501478	/nfs/dbraw/zinc/50/14/78/869501478.db2.gz	PXIAFOLECWUNLW-BBWFWOEESA-N	1	0	351.491	1.274	20	30		FDEDRO
CN1CC[N@H+](C)CC(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)C1	ZINC000913725557	869506103	/nfs/dbraw/zinc/50/61/03/869506103.db2.gz	WOTVCBJVAAYGHI-UHFFFAOYSA-N	1	0	352.442	1.235	20	30		FDEDRO
C[N@@H+]1CCC[C@](O)(CC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C1	ZINC000913760564	869584693	/nfs/dbraw/zinc/58/46/93/869584693.db2.gz	MAFANBUXCSBKAY-IBGZPJMESA-N	1	0	360.433	1.193	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)C4CCC4)C[C@]3(C)C2)CC1	ZINC000992483700	869721341	/nfs/dbraw/zinc/72/13/41/869721341.db2.gz	IMZVKZVBBCSORT-GHTZIAJQSA-N	1	0	357.498	1.439	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]2CC1	ZINC000946818251	882353427	/nfs/dbraw/zinc/35/34/27/882353427.db2.gz	GNYUWJBXAOEULW-ADHGMGHFSA-N	1	0	361.486	1.027	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+]([C@H](C)C(=O)NC)C[C@H]2CC1	ZINC000946818977	882358457	/nfs/dbraw/zinc/35/84/57/882358457.db2.gz	RVPNUTOEGNWSPZ-ZBRFXRBCSA-N	1	0	363.502	1.273	20	30		FDEDRO
Cc1cc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1C#N	ZINC000443964401	870125642	/nfs/dbraw/zinc/12/56/42/870125642.db2.gz	LRWOGJFBAZCFGE-UHFFFAOYSA-N	1	0	374.422	1.843	20	30		FDEDRO
Cc1cc(C[NH2+]CCCN2CCN(c3ncccn3)CC2)ccc1C#N	ZINC000443989412	870270569	/nfs/dbraw/zinc/27/05/69/870270569.db2.gz	QXTLWYFSOGNOPX-UHFFFAOYSA-N	1	0	350.470	1.959	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000914016756	870360689	/nfs/dbraw/zinc/36/06/89/870360689.db2.gz	GLKIKERFEDPPKS-IAGOWNOFSA-N	1	0	363.483	1.458	20	30		FDEDRO
C#CCN(C(=O)NCc1cccnc1-n1ccnc1)C1CC[NH+](C)CC1	ZINC000914057685	870503694	/nfs/dbraw/zinc/50/36/94/870503694.db2.gz	XDJGIAYCRFTAQS-UHFFFAOYSA-N	1	0	352.442	1.506	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)N2CCOCC2)CC1	ZINC000914107032	870803969	/nfs/dbraw/zinc/80/39/69/870803969.db2.gz	VKUGYAVGMZDWES-HXUWFJFHSA-N	1	0	370.497	1.457	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCN2CCN(c3ccccc3)CC2)CC1	ZINC000914112893	870829575	/nfs/dbraw/zinc/82/95/75/870829575.db2.gz	WSLAVXCZNJSNOD-UHFFFAOYSA-N	1	0	369.513	1.205	20	30		FDEDRO
C=CCN1CC[C@H](N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)C1=O	ZINC000282103211	871104096	/nfs/dbraw/zinc/10/40/96/871104096.db2.gz	WFYMCRRBJCFKEY-FQEVSTJZSA-N	1	0	356.514	1.523	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cccc(C(=O)NC)c2)C1	ZINC001033434172	882477050	/nfs/dbraw/zinc/47/70/50/882477050.db2.gz	BYEZEYVBJPKSAE-OTWHNJEPSA-N	1	0	371.481	1.670	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccnn2C(F)F)C[C@H]1C	ZINC001106178951	871627139	/nfs/dbraw/zinc/62/71/39/871627139.db2.gz	BZHCBANERUBJDT-FRRDWIJNSA-N	1	0	369.416	1.267	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H](C)C2CCN(C(=O)OC)CC2)CC1	ZINC000922070546	871802515	/nfs/dbraw/zinc/80/25/15/871802515.db2.gz	RMHAJQAGAVXNNN-AWEZNQCLSA-N	1	0	350.463	1.250	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@]3(C)C2)C1	ZINC000992755936	871923556	/nfs/dbraw/zinc/92/35/56/871923556.db2.gz	FJSDRBDUGUGSOG-KKVAFCGZSA-N	1	0	369.469	1.149	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)c2c(C)noc2C)[C@H](OC)C1	ZINC001212483500	871995818	/nfs/dbraw/zinc/99/58/18/871995818.db2.gz	KLNJRUNLBBGCPL-IAOVAPTHSA-N	1	0	365.474	1.803	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2cccc(CN3CCOCC3)c2)CC1	ZINC000914251486	872013533	/nfs/dbraw/zinc/01/35/33/872013533.db2.gz	ZTKZRHJYYBKBGA-UHFFFAOYSA-N	1	0	370.497	1.416	20	30		FDEDRO
C[N@H+](CCNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)CCOCCO	ZINC000922114113	872159242	/nfs/dbraw/zinc/15/92/42/872159242.db2.gz	STHFUYHEZPZVNT-UHFFFAOYSA-N	1	0	351.422	1.032	20	30		FDEDRO
Cc1onc(CC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1C#N	ZINC000499645736	872350663	/nfs/dbraw/zinc/35/06/63/872350663.db2.gz	BTHWOSDYKJLISK-UHFFFAOYSA-N	1	0	351.410	1.859	20	30		FDEDRO
CC(C)[C@H](C(=O)N1C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@]2(C)C1)[NH+](C)C	ZINC000992808027	872410211	/nfs/dbraw/zinc/41/02/11/872410211.db2.gz	LDASGOZBSVIZSN-JNAXZKDPSA-N	1	0	371.485	1.393	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C)cc1	ZINC000994403942	882611815	/nfs/dbraw/zinc/61/18/15/882611815.db2.gz	CQDIVYJYYIFWCP-ATZDWAIDSA-N	1	0	353.466	1.444	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)cc1	ZINC000994406986	882620700	/nfs/dbraw/zinc/62/07/00/882620700.db2.gz	WSUKLTRPGZQKRH-VQIMIIECSA-N	1	0	353.466	1.588	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H](CC(=O)N(C)C)c2ccccc2)CC1	ZINC000914365505	872531008	/nfs/dbraw/zinc/53/10/08/872531008.db2.gz	VJMWUWRCZNCVDS-GOSISDBHSA-N	1	0	356.470	1.603	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)Cc2csc(C#N)c2)CC1	ZINC000914406525	872751934	/nfs/dbraw/zinc/75/19/34/872751934.db2.gz	HBURBCDOBUWCGE-ZDUSSCGKSA-N	1	0	356.517	1.065	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(CCC)[C@@H]2CC[N@H+](C)C2)c1	ZINC000649003494	882671362	/nfs/dbraw/zinc/67/13/62/882671362.db2.gz	DMBQSPZXAYUYMM-MRXNPFEDSA-N	1	0	365.499	1.707	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@@H]2CCOC2)[C@H](C)C1	ZINC001106181252	873019115	/nfs/dbraw/zinc/01/91/15/873019115.db2.gz	KRCNBPYHYYEHMX-IXDOHACOSA-N	1	0	365.518	1.426	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC2CC2)[C@H](C)C1	ZINC001106183898	873084291	/nfs/dbraw/zinc/08/42/91/873084291.db2.gz	UOMFVOWAVYNSPI-ZIAGYGMSSA-N	1	0	364.490	1.261	20	30		FDEDRO
C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1CN(C(=O)[C@H]1CCCc3nccn31)C2	ZINC000992894227	873102802	/nfs/dbraw/zinc/10/28/02/873102802.db2.gz	DACCFDGMQYLDTC-CSODHUTKSA-N	1	0	366.465	1.481	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CCCOC2)CC1	ZINC001003363730	873218991	/nfs/dbraw/zinc/21/89/91/873218991.db2.gz	SUXNPLYBCAORJK-MKXGPGLRSA-N	1	0	373.497	1.006	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(C#N)c1	ZINC001003367494	873223091	/nfs/dbraw/zinc/22/30/91/873223091.db2.gz	GMDYLDZFJSDIKT-BDXSIMOUSA-N	1	0	369.469	1.622	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC23CC3)CC1	ZINC001003365619	873245016	/nfs/dbraw/zinc/24/50/16/873245016.db2.gz	NKODOGWTRTYRHV-XDNAFOTISA-N	1	0	355.482	1.380	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106200100	873652085	/nfs/dbraw/zinc/65/20/85/873652085.db2.gz	GECPJPHWVTZZTO-NZSAHSFTSA-N	1	0	353.466	1.201	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCNC(=O)c2ccncc2)C[C@H]1C	ZINC001106201189	873656263	/nfs/dbraw/zinc/65/62/63/873656263.db2.gz	WTTULVSPWUUKCX-SJLPKXTDSA-N	1	0	358.486	1.852	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)c4ccc[nH]4)C[C@@]3(C)C2)CC1	ZINC000993017094	873691629	/nfs/dbraw/zinc/69/16/29/873691629.db2.gz	BLXMKNCARWHMQH-LAUBAEHRSA-N	1	0	368.481	1.280	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(OCC(N)=O)c2)C[C@H]1C	ZINC001106205419	873698739	/nfs/dbraw/zinc/69/87/39/873698739.db2.gz	NULPXOQACCCEQQ-NVXWUHKLSA-N	1	0	359.470	1.815	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(=O)COC)C[C@H]1C	ZINC001106205868	873704672	/nfs/dbraw/zinc/70/46/72/873704672.db2.gz	VQZNILREZAKXFE-IAGOWNOFSA-N	1	0	353.507	1.522	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ncc(OC)cc2F)C[C@H]1C	ZINC001106222843	873965627	/nfs/dbraw/zinc/96/56/27/873965627.db2.gz	WSIHQZIVRQNKOH-ZIAGYGMSSA-N	1	0	351.422	1.730	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3ocnc3C)[C@H](C)C2)CCOCC1	ZINC001106235347	874046809	/nfs/dbraw/zinc/04/68/09/874046809.db2.gz	OHMNFLLCUZUXMI-NVXWUHKLSA-N	1	0	359.470	1.987	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCCOCC)[C@H](C)C2)CCC1	ZINC001106236289	874061723	/nfs/dbraw/zinc/06/17/23/874061723.db2.gz	JBZJDYZYSAZZIQ-IAGOWNOFSA-N	1	0	363.502	1.017	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+][C@@H](C)c3nnnn3C3CC3)[C@H](C)C2)CCC1	ZINC001106237457	874067084	/nfs/dbraw/zinc/06/70/84/874067084.db2.gz	MDHRNBUVRGCDBH-OWCLPIDISA-N	1	0	370.501	1.947	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)CC(F)F)C[C@H]1C	ZINC001106240887	874084741	/nfs/dbraw/zinc/08/47/41/874084741.db2.gz	TXUFOSAJLIIYFO-HZSPNIEDSA-N	1	0	357.445	1.490	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C/C=C\c2cccc(F)c2)C[C@H]1C	ZINC001106267804	874287434	/nfs/dbraw/zinc/28/74/34/874287434.db2.gz	GHJXXPCWGUIGFO-LBSIBSHJSA-N	1	0	371.456	1.663	20	30		FDEDRO
Cc1c(C(=O)N2C[C@H]3CN(C(=O)[C@H](C)C#N)C[C@@]3(C)C2)ccc2c[nH+]cn21	ZINC000993096804	874371213	/nfs/dbraw/zinc/37/12/13/874371213.db2.gz	ZGOAYZPEYFTCAF-RCDCFZSISA-N	1	0	365.437	1.723	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(C(F)(F)F)no2)C[C@H]1C	ZINC001106288234	874515084	/nfs/dbraw/zinc/51/50/84/874515084.db2.gz	FQBOFPHQAQHXTD-VXGBXAGGSA-N	1	0	359.348	1.641	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1C	ZINC001106291839	874542007	/nfs/dbraw/zinc/54/20/07/874542007.db2.gz	MWKXLYONSXAOJD-RAIGVLPGSA-N	1	0	358.280	1.248	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C(C)(C)C)C[C@H]1C	ZINC001106321514	874776121	/nfs/dbraw/zinc/77/61/21/874776121.db2.gz	ZXLBMPNXUFVBGL-QLFBSQMISA-N	1	0	366.506	1.365	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C(C)(C)C)C[C@H]1C	ZINC001106321515	874776379	/nfs/dbraw/zinc/77/63/79/874776379.db2.gz	ZXLBMPNXUFVBGL-RBSFLKMASA-N	1	0	366.506	1.365	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2coc(S(N)(=O)=O)c2)C[C@H]1C	ZINC001106333494	874819849	/nfs/dbraw/zinc/81/98/49/874819849.db2.gz	JSJSUKWDQLNRFW-UMVBOHGHSA-N	1	0	369.487	1.579	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cnc3[nH]c(=O)[nH]c3c2)C[C@H]1C	ZINC001106350120	874868855	/nfs/dbraw/zinc/86/88/55/874868855.db2.gz	YZKANYIJAUUMPQ-TZMCWYRMSA-N	1	0	359.430	1.164	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ncccc2CC)C[C@H]1C	ZINC001106350809	874871183	/nfs/dbraw/zinc/87/11/83/874871183.db2.gz	UJZPHOIGASSMKQ-HLLBOEOZSA-N	1	0	358.486	1.632	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccnc(OC)c2)C[C@H]1C	ZINC001106361121	874911774	/nfs/dbraw/zinc/91/17/74/874911774.db2.gz	LIHBEXNOOGKBJE-IIAWOOMASA-N	1	0	360.458	1.079	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccnnc2C)C[C@H]1C	ZINC001106379680	874994091	/nfs/dbraw/zinc/99/40/91/874994091.db2.gz	KLXNZZGCZYNOLP-NVXWUHKLSA-N	1	0	371.485	1.283	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1	ZINC000993154560	875051637	/nfs/dbraw/zinc/05/16/37/875051637.db2.gz	GTWCHQLGLKPTDX-UZLBHIALSA-N	1	0	359.514	1.991	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2ccc(C)cc2)C[C@H]1C	ZINC001106399663	875091447	/nfs/dbraw/zinc/09/14/47/875091447.db2.gz	LEBUYCXJUVHQKP-IEBWSBKVSA-N	1	0	355.482	1.361	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnc3ccc(C)cn32)C[C@H]1C	ZINC001106420920	875209299	/nfs/dbraw/zinc/20/92/99/875209299.db2.gz	RFYBULWYEAGCSN-IAGOWNOFSA-N	1	0	354.454	1.590	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2onc3c2CCCC3)C[C@H]1C	ZINC001106421897	875219798	/nfs/dbraw/zinc/21/97/98/875219798.db2.gz	HCRGMQHRKOUKKM-ZIAGYGMSSA-N	1	0	360.458	1.153	20	30		FDEDRO
CCc1ccc(C#CC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1	ZINC000915069348	875419925	/nfs/dbraw/zinc/41/99/25/875419925.db2.gz	ARCHJUOXCZEBID-UHFFFAOYSA-N	1	0	367.493	1.933	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)c(C)cn2)C[C@H]1C	ZINC001106459630	875437471	/nfs/dbraw/zinc/43/74/71/875437471.db2.gz	XZCXVVBJIYPZAU-BRWVUGGUSA-N	1	0	356.470	1.134	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3nc(C)nn3C2)C[C@H]1C	ZINC001106461506	875474017	/nfs/dbraw/zinc/47/40/17/875474017.db2.gz	ARVSNBKXZCUCKB-HYVNUMGLSA-N	1	0	361.490	1.036	20	30		FDEDRO
CCc1nc2c(nccc2C(=O)N2C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C2)[nH]1	ZINC001106464068	875489418	/nfs/dbraw/zinc/48/94/18/875489418.db2.gz	CVKYYMLCVKHOQZ-HUUCEWRRSA-N	1	0	369.469	1.468	20	30		FDEDRO
COc1ccc(CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cc1C#N	ZINC000780551066	875626175	/nfs/dbraw/zinc/62/61/75/875626175.db2.gz	YWRHAQJXCFGZEE-CQSZACIVSA-N	1	0	360.458	1.553	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)o2)[C@H](C)C1	ZINC001106486387	875640818	/nfs/dbraw/zinc/64/08/18/875640818.db2.gz	QWIIOPWXQXGLTE-SIIHOXLZSA-N	1	0	350.463	1.791	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCC)[C@H](C)C1	ZINC001106486458	875641467	/nfs/dbraw/zinc/64/14/67/875641467.db2.gz	UAOMTIBXVZOHMW-MBOZVWFJSA-N	1	0	367.534	1.816	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CC)[C@H](C)C1	ZINC001106486541	875642648	/nfs/dbraw/zinc/64/26/48/875642648.db2.gz	XBKQJDDQYYYDQZ-MBOZVWFJSA-N	1	0	367.534	1.768	20	30		FDEDRO
Cc1ccc2cc(C(=O)N3C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C3)[nH]c2c1	ZINC001106492990	875671774	/nfs/dbraw/zinc/67/17/74/875671774.db2.gz	PEDXDKYPPCHMPC-GDBMZVCRSA-N	1	0	367.453	1.414	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(C)nc3onc(C)c32)C[C@H]1C	ZINC001106493008	875672965	/nfs/dbraw/zinc/67/29/65/875672965.db2.gz	QBOUSIGELIMYQH-CZUORRHYSA-N	1	0	370.453	1.787	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCc2nc(C(C)C)no2)C[C@H]1C	ZINC001106502420	875732185	/nfs/dbraw/zinc/73/21/85/875732185.db2.gz	LHFVZVDBTKWVCV-HZPDHXFCSA-N	1	0	362.474	1.460	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(OC)cs2)C[C@H]1C	ZINC001106513896	875784446	/nfs/dbraw/zinc/78/44/46/875784446.db2.gz	UDNLKQPLPYDVMF-MGPQQGTHSA-N	1	0	363.483	1.192	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)NCCC)[C@H](C)C2)cc1	ZINC001106512703	875801308	/nfs/dbraw/zinc/80/13/08/875801308.db2.gz	SKXHAVLOEINGAH-GPMSIDNRSA-N	1	0	355.482	1.880	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@@H](C)CS(C)(=O)=O)[C@H](C)C1	ZINC001106517981	875814235	/nfs/dbraw/zinc/81/42/35/875814235.db2.gz	BKGXYLJIDUTZNS-BZUAXINKSA-N	1	0	358.548	1.954	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2C)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106514265	875819026	/nfs/dbraw/zinc/81/90/26/875819026.db2.gz	KYTSNBDUDPEIGA-MISYRCLQSA-N	1	0	367.493	1.733	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2ccccn2)C[C@H]1C	ZINC001106514512	875820412	/nfs/dbraw/zinc/82/04/12/875820412.db2.gz	WAOBQCASBOIHAG-BRWVUGGUSA-N	1	0	358.486	1.389	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NCC)[C@H](C)C1	ZINC001106527644	875847615	/nfs/dbraw/zinc/84/76/15/875847615.db2.gz	YMEQAEPEEJQUSV-MGPQQGTHSA-N	1	0	352.479	1.117	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](C[NH2+]CCNC(=O)NC(C)C)[C@H](C)C1	ZINC001106564351	875964773	/nfs/dbraw/zinc/96/47/73/875964773.db2.gz	YJRDVFYFXMTNKB-GVDBMIGSSA-N	1	0	352.523	1.980	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)Nc2ncccn2)[C@H](C)C1	ZINC001106559195	875966517	/nfs/dbraw/zinc/96/65/17/875966517.db2.gz	ISPLHOAMIRQUEL-IXDOHACOSA-N	1	0	371.485	1.681	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC2CCC2)NC(C)=O)C[C@H]1C	ZINC001106581923	876029647	/nfs/dbraw/zinc/02/96/47/876029647.db2.gz	PTGXIFMXXZVUPE-ATZDWAIDSA-N	1	0	365.518	1.568	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCCC2(F)F)C[C@H]1C	ZINC001106582127	876030678	/nfs/dbraw/zinc/03/06/78/876030678.db2.gz	ULUQECQMJLAZQD-KFWWJZLASA-N	1	0	355.429	1.245	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3cnn(C)c3C2)C[C@H]1C	ZINC001106584898	876043005	/nfs/dbraw/zinc/04/30/05/876043005.db2.gz	OKZFZIMUNZBMDL-XNRPHZJLSA-N	1	0	350.894	1.962	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCc3nn(C)cc32)C[C@H]1C	ZINC001106588717	876073869	/nfs/dbraw/zinc/07/38/69/876073869.db2.gz	HSAAJMYHYHWCCI-BRWVUGGUSA-N	1	0	360.502	1.727	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(F)c(F)c2)C[C@H]1C	ZINC001106594916	876091259	/nfs/dbraw/zinc/09/12/59/876091259.db2.gz	OROHAHTXEPNKKS-UKRRQHHQSA-N	1	0	365.424	1.494	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc3[nH]ccc3c2)C[C@H]1C	ZINC001106604520	876129840	/nfs/dbraw/zinc/12/98/40/876129840.db2.gz	SPKKEFXUYPYULS-RVKKMQEKSA-N	1	0	366.465	1.604	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NC2CC2)[C@H](C)C1	ZINC001106612981	876179903	/nfs/dbraw/zinc/17/99/03/876179903.db2.gz	VWEAQVQHKOEJLI-QLFBSQMISA-N	1	0	364.490	1.404	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3ncccc3c2)C[C@H]1C	ZINC001106618165	876232639	/nfs/dbraw/zinc/23/26/39/876232639.db2.gz	FVEWNWJBNWTMSY-CRAIPNDOSA-N	1	0	364.449	1.282	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NCC)[C@H](C)C1	ZINC001106629650	876278808	/nfs/dbraw/zinc/27/88/08/876278808.db2.gz	RLIRTFFOXUCWJH-HBUWYVDXSA-N	1	0	352.479	1.119	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106625349	876280569	/nfs/dbraw/zinc/28/05/69/876280569.db2.gz	IMBTVJSONSIFKT-NVXWUHKLSA-N	1	0	352.438	1.475	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106669978	876487665	/nfs/dbraw/zinc/48/76/65/876487665.db2.gz	RJNIRBSLPIDYOZ-AFYVEPGGSA-N	1	0	367.493	1.447	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ocnc2C(F)F)C[C@H]1C	ZINC001106672351	876513238	/nfs/dbraw/zinc/51/32/38/876513238.db2.gz	RDHGIXBAOVVANJ-IJLUTSLNSA-N	1	0	370.400	1.601	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc(OCC)c2)C[C@H]1C	ZINC001106703118	876624636	/nfs/dbraw/zinc/62/46/36/876624636.db2.gz	AODVRQWIPHXJIA-SOLBZPMBSA-N	1	0	371.481	1.521	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NCC)[C@H](C)C1	ZINC001106708653	876916838	/nfs/dbraw/zinc/91/68/38/876916838.db2.gz	DQWXIRZUTCMGGG-ZIAGYGMSSA-N	1	0	352.479	1.119	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2noc3c2CCCCC3)C[C@H]1C	ZINC001106713867	876923551	/nfs/dbraw/zinc/92/35/51/876923551.db2.gz	PUSRJPXWQXPYCY-HZPDHXFCSA-N	1	0	359.470	1.891	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]([C@]3(C)COC(=O)N3)C2)CC1	ZINC000917137691	883111181	/nfs/dbraw/zinc/11/11/81/883111181.db2.gz	UYNMCGPMOARBTJ-KSSFIOAISA-N	1	0	350.463	1.557	20	30		FDEDRO
COc1cncc(C(=O)N2C[C@@H](C[NH2+]CC#Cc3ccccc3)[C@H](C)C2)n1	ZINC001106733104	877256223	/nfs/dbraw/zinc/25/62/23/877256223.db2.gz	HDACLNKXRLVVEL-SJLPKXTDSA-N	1	0	364.449	1.835	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1cccc(OCC#N)c1)[N@@H+]1CCCC[C@@H]1C	ZINC000915766230	877341625	/nfs/dbraw/zinc/34/16/25/877341625.db2.gz	FPOXKLCTZDZIDM-LSDHHAIUSA-N	1	0	358.442	1.907	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CC[C@]2(C1)CN(Cc1ccccc1)C[C@@H](C)O2	ZINC000922297924	877403762	/nfs/dbraw/zinc/40/37/62/877403762.db2.gz	CWTGKCVOHCQFRN-WIYYLYMNSA-N	1	0	357.498	1.996	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]C[C@@H](O)c3ccccc3)[C@H](C)C2)nn1	ZINC001106743173	877439080	/nfs/dbraw/zinc/43/90/80/877439080.db2.gz	BCKCIHNJJZHRHU-SZVBFZGTSA-N	1	0	369.469	1.495	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2scnc2COC)C[C@H]1C	ZINC001106744894	877451686	/nfs/dbraw/zinc/45/16/86/877451686.db2.gz	IEEOOFTWTDWSNU-ZIAGYGMSSA-N	1	0	353.488	1.790	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2scnc2C(C)C)C[C@H]1C	ZINC001106744890	877451789	/nfs/dbraw/zinc/45/17/89/877451789.db2.gz	HZPQWLBZWZWYNQ-ZIAGYGMSSA-N	1	0	364.515	1.866	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCNC(=O)C2CC2)[C@H](C)C1	ZINC001106752769	877523852	/nfs/dbraw/zinc/52/38/52/877523852.db2.gz	KPUNABJEHGWECO-BGTYHANMSA-N	1	0	363.502	1.178	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)nn2)C[C@H]1C	ZINC001106757793	877586996	/nfs/dbraw/zinc/58/69/96/877586996.db2.gz	AWIWFMHYVXDGFP-HZPDHXFCSA-N	1	0	354.458	1.926	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccnc(OC)n2)C1	ZINC000999195081	912254697	/nfs/dbraw/zinc/25/46/97/912254697.db2.gz	PYZHIONORJMNHF-BBWFWOEESA-N	1	0	360.458	1.547	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCn2nc(C)nc2C)C1	ZINC000999196042	912259909	/nfs/dbraw/zinc/25/99/09/912259909.db2.gz	VPHZFBYJHOMYSS-KURKYZTESA-N	1	0	361.490	1.457	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCn2nc(C)nc2C)C1	ZINC000999196038	912260015	/nfs/dbraw/zinc/26/00/15/912260015.db2.gz	VPHZFBYJHOMYSS-KSZLIROESA-N	1	0	361.490	1.457	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc3cccnc3c2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106777183	877771548	/nfs/dbraw/zinc/77/15/48/877771548.db2.gz	VAYMRMZGLKNQTR-RHSMWYFYSA-N	1	0	365.437	1.172	20	30		FDEDRO
CC(=NNCC[NH+]1CCCCC1)c1c(C)nn(CCS(C)(=O)=O)c1C	ZINC000763169252	878036786	/nfs/dbraw/zinc/03/67/86/878036786.db2.gz	OUJYDAYGXZPLPJ-UHFFFAOYSA-N	1	0	369.535	1.344	20	30		FDEDRO
C#CCN(C(=O)N[C@H](c1nccn1C)C1CCOCC1)C1CC[NH+](C)CC1	ZINC000922404883	878071312	/nfs/dbraw/zinc/07/13/12/878071312.db2.gz	OXEPEGKMNBMLDQ-SFHVURJKSA-N	1	0	373.501	1.627	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCCN2C(=O)c3ccccc3C2=O)CC1	ZINC000922447555	878200844	/nfs/dbraw/zinc/20/08/44/878200844.db2.gz	ZCDOIPUUWOLNNW-UHFFFAOYSA-N	1	0	368.437	1.070	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCn2cc(Br)cn2)CC1	ZINC000922457479	878236486	/nfs/dbraw/zinc/23/64/86/878236486.db2.gz	IBBJYKSABZDPHL-UHFFFAOYSA-N	1	0	354.252	1.042	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H]3CN(C(=O)C[N@H+]4CC[C@H](C)C4)C[C@]3(C)C2)C1	ZINC000993444219	878246347	/nfs/dbraw/zinc/24/63/47/878246347.db2.gz	ZFULQXHWSDRHNE-HZUJVAHNSA-N	1	0	359.514	1.991	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)cc1	ZINC000763231672	878260266	/nfs/dbraw/zinc/26/02/66/878260266.db2.gz	PCOKULULFRGQLL-KRWDZBQOSA-N	1	0	370.453	1.826	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2n[nH]c3c2C[C@@H](C)CC3)C[C@H]1C	ZINC001106823405	878300500	/nfs/dbraw/zinc/30/05/00/878300500.db2.gz	GEHCYCWACUPWSW-ARFHVFGLSA-N	1	0	358.486	1.482	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@H]21)C1CC[NH+](C)CC1	ZINC000922504606	878400975	/nfs/dbraw/zinc/40/09/75/878400975.db2.gz	IVVFLMDZUONNME-BHIYHBOVSA-N	1	0	360.502	1.372	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2cc(C)nc(N3CCCC3)n2)CC1	ZINC000922588353	878704822	/nfs/dbraw/zinc/70/48/22/878704822.db2.gz	INZWWOXOKLYHMX-UHFFFAOYSA-N	1	0	356.474	1.282	20	30		FDEDRO
C#CCN(C(=O)NCc1cc(C)nc(N2CCCC2)n1)C1CC[NH+](C)CC1	ZINC000922591817	878726335	/nfs/dbraw/zinc/72/63/35/878726335.db2.gz	WTUBHUDYDJZDQG-UHFFFAOYSA-N	1	0	370.501	1.624	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@H]2OC)CC1	ZINC000946587850	878801481	/nfs/dbraw/zinc/80/14/81/878801481.db2.gz	YLMGCBJUXCLZHY-CGTJXYLNSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CCN(CC(=O)NC2CCCC2)C1	ZINC001033087592	878852124	/nfs/dbraw/zinc/85/21/24/878852124.db2.gz	XDCKYPCKTBWXQV-KSZLIROESA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cnc4c(c3)c(C)nn4C)[C@H]2C1	ZINC001083158898	912401612	/nfs/dbraw/zinc/40/16/12/912401612.db2.gz	WOWTUCFLDKPTDF-DLBZAZTESA-N	1	0	355.442	1.378	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnc4c(c3)c(C)nn4C)[C@H]2C1	ZINC001083158766	912401921	/nfs/dbraw/zinc/40/19/21/912401921.db2.gz	OYBSONMFAVPNJE-ZWKOTPCHSA-N	1	0	369.469	1.768	20	30		FDEDRO
C#CCN(C(=O)NCc1cccc(S(C)(=O)=O)c1)C1CC[NH+](C)CC1	ZINC000922714210	879066941	/nfs/dbraw/zinc/06/69/41/879066941.db2.gz	DWAVZIYRUDPCPT-UHFFFAOYSA-N	1	0	363.483	1.329	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCc1ccc(C#N)c(F)c1)C2	ZINC000922781218	879258605	/nfs/dbraw/zinc/25/86/05/879258605.db2.gz	INCGSBFEQIWUAJ-XSYGEPLQSA-N	1	0	374.460	1.976	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)CC[N@@H+]1C	ZINC000993913262	880128161	/nfs/dbraw/zinc/12/81/61/880128161.db2.gz	WOORKERKGBIQLX-IXYNUQLISA-N	1	0	357.458	1.051	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cncc3ncn(C)c32)[C@H](OC)C1	ZINC001212424330	912547928	/nfs/dbraw/zinc/54/79/28/912547928.db2.gz	FMTSJZXGKSKFHC-IAOVAPTHSA-N	1	0	357.458	1.752	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)[C@H](F)CC)C[C@H]2C)CC1	ZINC000994133206	880730862	/nfs/dbraw/zinc/73/08/62/880730862.db2.gz	AMQSJGZZIQCAMV-DJIMGWMZSA-N	1	0	351.466	1.290	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C	ZINC001106843621	880835704	/nfs/dbraw/zinc/83/57/04/880835704.db2.gz	IWAFEDHTFFFIDN-IXDOHACOSA-N	1	0	356.532	1.852	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC000994136068	880894284	/nfs/dbraw/zinc/89/42/84/880894284.db2.gz	ICFYUXRNMGUPOV-KYJSFNMBSA-N	1	0	371.485	1.585	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)NC(=O)CC(C)(C)C)C[C@H]1C	ZINC001106861865	881234409	/nfs/dbraw/zinc/23/44/09/881234409.db2.gz	KRLGPJPFYYYAOL-IXDOHACOSA-N	1	0	365.518	1.261	20	30		FDEDRO
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C=NNCC[NH+]1CCCCC1	ZINC000915974379	881264723	/nfs/dbraw/zinc/26/47/23/881264723.db2.gz	SBOMDQHINLZKJX-INIZCTEOSA-N	1	0	367.519	1.269	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1	ZINC000999399439	912685876	/nfs/dbraw/zinc/68/58/76/912685876.db2.gz	VJTDVDFLAIWUQD-XCRHUMRWSA-N	1	0	361.417	1.582	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC001033874776	883306333	/nfs/dbraw/zinc/30/63/33/883306333.db2.gz	IAEZORNNPUTLCK-MCIONIFRSA-N	1	0	350.381	1.832	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC001033875192	883311387	/nfs/dbraw/zinc/31/13/87/883311387.db2.gz	PVVIBDZMTCIMMP-MCIONIFRSA-N	1	0	350.381	1.832	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ccccc2C#N)C1	ZINC000999418934	912707058	/nfs/dbraw/zinc/70/70/58/912707058.db2.gz	WKXSGYODFXSJBO-HIEASXQVSA-N	1	0	354.454	1.362	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC(CO)([NH2+]C(C)C)CC1	ZINC000917537166	883510050	/nfs/dbraw/zinc/51/00/50/883510050.db2.gz	ZHBPLUFGWBZQTI-UHFFFAOYSA-N	1	0	351.472	1.380	20	30		FDEDRO
CCN(C(=O)[C@H]1C[C@H]1C(=O)N(C)C)[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1	ZINC001033954575	883580993	/nfs/dbraw/zinc/58/09/93/883580993.db2.gz	QFTNPAYSIDGKOE-OTWHNJEPSA-N	1	0	368.481	1.705	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]CCn2cc(Cl)cn2)C1	ZINC000999426785	912750160	/nfs/dbraw/zinc/75/01/60/912750160.db2.gz	DFQJGYVEEHXIJQ-FJBKBRRZSA-N	1	0	352.866	1.707	20	30		FDEDRO
COc1ccc(CC[N@@H+]2C[C@@H](NC(=O)[C@H](C)C#N)[C@@H](n3ccnn3)C2)cc1	ZINC001128835131	883805435	/nfs/dbraw/zinc/80/54/35/883805435.db2.gz	YZMCAGUQCNQHPU-OLMNPRSZSA-N	1	0	368.441	1.031	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2nccnc2N)[C@@H](n2ccnn2)C1	ZINC001128851274	883846412	/nfs/dbraw/zinc/84/64/12/883846412.db2.gz	GKXNEEAYCRLONM-CABCVRRESA-N	1	0	370.461	1.052	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](N(C)C(=O)C#CC3CC3)CC2)CC[N@@H+]1C	ZINC001078957751	883873754	/nfs/dbraw/zinc/87/37/54/883873754.db2.gz	XMDKVEQQTKPEMY-GBESFXJTSA-N	1	0	359.514	1.970	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3ccc(C#N)cc3)C2)C1	ZINC001034213336	883939412	/nfs/dbraw/zinc/93/94/12/883939412.db2.gz	SVIRRBJDXREUNR-ATZDWAIDSA-N	1	0	368.481	1.944	20	30		FDEDRO
CC/C=C\CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](n2ccnn2)C1	ZINC001128891661	883969232	/nfs/dbraw/zinc/96/92/32/883969232.db2.gz	LRQAXMDBMJVOLL-DSLCMKTCSA-N	1	0	353.430	1.489	20	30		FDEDRO
CCC/C=C\CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](n2ccnn2)C1	ZINC001128903430	884023333	/nfs/dbraw/zinc/02/33/33/884023333.db2.gz	PWGHQWZJNIZEEH-KKSLTYSGSA-N	1	0	367.457	1.880	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(c3nc(C)cc(C#N)n3)C2)CC[N@@H+]1C	ZINC001061757961	884460955	/nfs/dbraw/zinc/46/09/55/884460955.db2.gz	SYEOQLSZRUNXOY-HYVNUMGLSA-N	1	0	356.474	1.330	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(c3nc(Cl)c(C#N)s3)C2)CC[N@@H+]1C	ZINC001061758159	884464629	/nfs/dbraw/zinc/46/46/29/884464629.db2.gz	XRCJKHUIASOYSL-IJLUTSLNSA-N	1	0	367.906	1.951	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2ccc(C)nn2)[C@@H](n2ccnn2)C1	ZINC001128966838	884481166	/nfs/dbraw/zinc/48/11/66/884481166.db2.gz	QCVSLQGJRNHVND-MSOLQXFVSA-N	1	0	369.473	1.778	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(CC[NH2+][C@H]2CCCNC2=O)CC1	ZINC001034573509	884525340	/nfs/dbraw/zinc/52/53/40/884525340.db2.gz	NIBSPLOMIRZNMC-BZSNNMDCSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)CC(C)(C)C2CC2)[C@@H](n2ccnn2)C1	ZINC001128976118	884544492	/nfs/dbraw/zinc/54/44/92/884544492.db2.gz	KIZSOJNAMVYMDH-SJORKVTESA-N	1	0	361.490	1.649	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCOCC)C2)nn1	ZINC001112543333	884767739	/nfs/dbraw/zinc/76/77/39/884767739.db2.gz	UEXJMALABYTKCY-LPHOPBHVSA-N	1	0	361.490	1.723	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCn2cncn2)CC1	ZINC001034753653	884965383	/nfs/dbraw/zinc/96/53/83/884965383.db2.gz	PXBFKBQAUVBDFS-XSLAGTTESA-N	1	0	361.490	1.666	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(C[NH2+][C@H]2CCCNC2=O)cc1	ZINC001034826772	885233061	/nfs/dbraw/zinc/23/30/61/885233061.db2.gz	XQBPMYKTMBMBEV-FHWLQOOXSA-N	1	0	371.481	1.652	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2ccncn2)[C@@H](n2ccnn2)C1	ZINC001129020324	885255339	/nfs/dbraw/zinc/25/53/39/885255339.db2.gz	PUGPDZQXCZHDJR-JQHSSLGASA-N	1	0	369.473	1.397	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc(C3CC3)n(C)n2)[C@@H](n2ccnn2)C1	ZINC001129032643	885366696	/nfs/dbraw/zinc/36/66/96/885366696.db2.gz	RKTWCFHFVKGYMX-AEFFLSMTSA-N	1	0	369.473	1.511	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)C2(COC)CCCC2)[C@@H](n2ccnn2)C1	ZINC001129037864	885432499	/nfs/dbraw/zinc/43/24/99/885432499.db2.gz	CYUBYRIZZNRZNU-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2c(C)[nH]nc2Cl)[C@@H](n2ccnn2)C1	ZINC001129037876	885435710	/nfs/dbraw/zinc/43/57/10/885435710.db2.gz	DGUFFBPYHYEOKN-OLZOCXBDSA-N	1	0	363.853	1.585	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cncc(COC)c2)[C@@H](n2ccnn2)C1	ZINC001129052465	885579400	/nfs/dbraw/zinc/57/94/00/885579400.db2.gz	FZQZKHKENKFJNV-MSOLQXFVSA-N	1	0	370.457	1.441	20	30		FDEDRO
CC(C)(C#N)C(=O)OCC(=O)NCc1ccccc1CN1CCOCC1	ZINC000919350127	885623144	/nfs/dbraw/zinc/62/31/44/885623144.db2.gz	ILGWRMIRSJBWEE-UHFFFAOYSA-N	1	0	359.426	1.228	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)Cn2cncc2C)[C@@H](n2ccnn2)C1	ZINC001129103228	885699097	/nfs/dbraw/zinc/69/90/97/885699097.db2.gz	HNDYCYOCPDZYBE-MSOLQXFVSA-N	1	0	371.489	1.571	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)CCc2cccc(OC)c2)[C@@H](n2ccnn2)C1	ZINC001129103590	885700351	/nfs/dbraw/zinc/70/03/51/885700351.db2.gz	NUFXMKVTHRWFAZ-MOPGFXCFSA-N	1	0	369.469	1.837	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2ccc(=O)[nH]c2)[C@@H](n2ccnn2)C1	ZINC001129103971	885703752	/nfs/dbraw/zinc/70/37/52/885703752.db2.gz	XZNDREZTLIGFHA-OIISXLGYSA-N	1	0	370.457	1.318	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2n[nH]c3c2CCC3)[C@@H](n2ccnn2)C1	ZINC001129089541	885716686	/nfs/dbraw/zinc/71/66/86/885716686.db2.gz	KGSKJGQBNFDPRA-CVEARBPZSA-N	1	0	355.446	1.111	20	30		FDEDRO
C=CCN1C[C@@H](NC(=O)COCc2ccc(OC)cc2)[C@@H](n2ccnn2)C1	ZINC001129090388	885718108	/nfs/dbraw/zinc/71/81/08/885718108.db2.gz	XDNCZVQBSPWWRG-MSOLQXFVSA-N	1	0	371.441	1.031	20	30		FDEDRO
C=CCN1C[C@@H](NC(=O)C[C@H](C)c2c(C)noc2C)[C@@H](n2ccnn2)C1	ZINC001129090395	885718466	/nfs/dbraw/zinc/71/84/66/885718466.db2.gz	XFNLHEDHMDPJQC-MAZHCROVSA-N	1	0	358.446	1.604	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC[N@@H+]([C@@H](C)C(=O)NC)C2)CC1	ZINC001035185923	885735175	/nfs/dbraw/zinc/73/51/75/885735175.db2.gz	MCZKILKYXFRQPC-BBWFWOEESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2ncc(C)cc2C)[C@@H](n2ccnn2)C1	ZINC001129113281	885754712	/nfs/dbraw/zinc/75/47/12/885754712.db2.gz	OJIRZBKFSASHOZ-SJORKVTESA-N	1	0	354.458	1.911	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)[C@H](C)C2)cn1	ZINC001106894488	885755565	/nfs/dbraw/zinc/75/55/65/885755565.db2.gz	OEUKAZDHEZPFMC-GDBMZVCRSA-N	1	0	356.470	1.275	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCO[C@H]3CC3(F)F)[C@H](C)C2)nc1	ZINC001106894608	885761535	/nfs/dbraw/zinc/76/15/35/885761535.db2.gz	PAMBMOWHNUBGBR-UNEWFSDZSA-N	1	0	363.408	1.785	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCOCC)C[C@@H]2n2ccnn2)cc1	ZINC001129144283	885862079	/nfs/dbraw/zinc/86/20/79/885862079.db2.gz	MONOUTGWWWKRPG-MOPGFXCFSA-N	1	0	367.453	1.341	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](OC)C2CCC2)C[C@@H]1n1ccnn1	ZINC001129159341	885891527	/nfs/dbraw/zinc/89/15/27/885891527.db2.gz	GNXNQSPZVVKECT-IXDOHACOSA-N	1	0	361.490	1.647	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)N(CC)CC)[C@H](C)C2)cn1	ZINC001106895476	885908285	/nfs/dbraw/zinc/90/82/85/885908285.db2.gz	PZGGZVHRHRSKFD-JFIYKMOQSA-N	1	0	370.497	1.618	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[N@H+](CC2CCOCC2)CCO1	ZINC001035370107	885924264	/nfs/dbraw/zinc/92/42/64/885924264.db2.gz	HQNWFUGZAUZUAW-KSZLIROESA-N	1	0	352.475	1.211	20	30		FDEDRO
C=CCCN1CCO[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1	ZINC001035370087	885924366	/nfs/dbraw/zinc/92/43/66/885924366.db2.gz	HCXDLBYIDKZCFK-OTWHNJEPSA-N	1	0	365.518	1.126	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1CN(CCOCCC(C)C)C[C@@H]1n1ccnn1	ZINC001129179291	886002200	/nfs/dbraw/zinc/00/22/00/886002200.db2.gz	BUVUJUBVZFDTIS-SJORKVTESA-N	1	0	363.506	1.895	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N(CC)C3CC3)[C@H](C)C2)cn1	ZINC001106896212	886009236	/nfs/dbraw/zinc/00/92/36/886009236.db2.gz	BACJKVYFPWBJQO-NVXWUHKLSA-N	1	0	368.481	1.372	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C	ZINC000670608119	886068041	/nfs/dbraw/zinc/06/80/41/886068041.db2.gz	MGFUENAYURSNSA-QRVBRYPASA-N	1	0	373.497	1.373	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)Cc2cnoc2)[C@@H](n2ccnn2)C1	ZINC001129184263	886078782	/nfs/dbraw/zinc/07/87/82/886078782.db2.gz	CPEXJGSXYVSCHO-SJORKVTESA-N	1	0	360.462	1.821	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H](C)c2cncnc2)[C@@H](n2ccnn2)C1	ZINC001129189497	886157086	/nfs/dbraw/zinc/15/70/86/886157086.db2.gz	QRMFBXCZWQEDCP-OIISXLGYSA-N	1	0	355.446	1.180	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1n1ccnn1	ZINC001129238929	886749145	/nfs/dbraw/zinc/74/91/45/886749145.db2.gz	LTVTVLWKQJMSPZ-ZIFCJYIRSA-N	1	0	361.490	1.649	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)CC1(C#N)CCCC1)C2	ZINC000920275460	886801712	/nfs/dbraw/zinc/80/17/12/886801712.db2.gz	RZGGNTFJTDAPKI-CBZIJGRNSA-N	1	0	369.531	1.469	20	30		FDEDRO
CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)CCCCC#N)C2)[C@H]1C(C)C	ZINC000920294911	886870851	/nfs/dbraw/zinc/87/08/51/886870851.db2.gz	GZZGHJBKKGQMNN-QBPKDAKJSA-N	1	0	357.520	1.469	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1cc(C)c(C)nn1)C(C)C	ZINC000411139044	887154092	/nfs/dbraw/zinc/15/40/92/887154092.db2.gz	BNCQYFSOJVALSO-INIZCTEOSA-N	1	0	359.474	1.847	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)[C@@H]3CC34CC4)[C@H](C)C2)CC1	ZINC000994692248	887199167	/nfs/dbraw/zinc/19/91/67/887199167.db2.gz	HDFOUJKASJEQQR-NXHRZFHOSA-N	1	0	357.498	1.342	20	30		FDEDRO
COc1cccc(CCC[N@@H+]2C[C@@H](NC(=O)C#CC3CC3)[C@H](OC)C2)c1	ZINC001212251265	887289679	/nfs/dbraw/zinc/28/96/79/887289679.db2.gz	UQIQXXDOAQQHKH-WOJBJXKFSA-N	1	0	356.466	1.857	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](C[C@@H](O)c2ccc(F)cc2)C1	ZINC001031680866	887358440	/nfs/dbraw/zinc/35/84/40/887358440.db2.gz	UJXYURNQMPPWJD-QRVBRYPASA-N	1	0	362.445	1.888	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCC(C)(C)NC(=O)OC(C)(C)C)CC1	ZINC000921041470	887401595	/nfs/dbraw/zinc/40/15/95/887401595.db2.gz	WWMHSHHYOLEPIG-UHFFFAOYSA-N	1	0	352.479	1.687	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCC2CN(Cc3cc(C#N)ccc3OC)C2)CC[N@@H+]1C	ZINC001031684326	887422713	/nfs/dbraw/zinc/42/27/13/887422713.db2.gz	KZNYANJWZVMQRQ-RBUKOAKNSA-N	1	0	370.497	1.845	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CCC[C@@H](C#N)C2)CC1	ZINC000921362653	887751548	/nfs/dbraw/zinc/75/15/48/887751548.db2.gz	WHINFHWPPVGEKB-INIZCTEOSA-N	1	0	363.506	1.558	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1	ZINC000938308808	887756129	/nfs/dbraw/zinc/75/61/29/887756129.db2.gz	MJYKBLHIKIHACY-BBWFWOEESA-N	1	0	361.486	1.313	20	30		FDEDRO
C#CCN(C(=O)NCc1ccc(-c2nncnn2)cc1)C1CC[NH+](C)CC1	ZINC000923087215	888010942	/nfs/dbraw/zinc/01/09/42/888010942.db2.gz	WLVBGGULCVWMQX-UHFFFAOYSA-N	1	0	365.441	1.173	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCC2(F)F)C[C@H]1OC	ZINC001212262203	888152085	/nfs/dbraw/zinc/15/20/85/888152085.db2.gz	GWBBLZATQHSEQJ-BZUAXINKSA-N	1	0	358.429	1.667	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](C[C@H](OC)c2ccccc2)C[C@H]1OC	ZINC001212262325	888158089	/nfs/dbraw/zinc/15/80/89/888158089.db2.gz	LKCSZCAAYPIQJA-CEXWTWQISA-N	1	0	360.454	1.229	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](CC2CCC(F)(F)CC2)C[C@H]1OC	ZINC001212262530	888165902	/nfs/dbraw/zinc/16/59/02/888165902.db2.gz	RFQVYWOLPARWEJ-HZPDHXFCSA-N	1	0	358.429	1.667	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@H+]2CC[C@H](C)C2)c1	ZINC001005976044	888304293	/nfs/dbraw/zinc/30/42/93/888304293.db2.gz	YFGQOSJAPZWDAG-PIKADFDJSA-N	1	0	366.465	1.266	20	30		FDEDRO
C#CCN(C(=O)NC[C@@H]1CCCO[C@H]1c1ccnn1C)C1CC[NH+](C)CC1	ZINC000923313630	888851579	/nfs/dbraw/zinc/85/15/79/888851579.db2.gz	IACWYPNWUBTQMP-QFBILLFUSA-N	1	0	373.501	1.627	20	30		FDEDRO
C#C[C@H](NC(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C)C1CCOCC1	ZINC000923326434	888919045	/nfs/dbraw/zinc/91/90/45/888919045.db2.gz	ZHBQCECHTCYEHM-MSOLQXFVSA-N	1	0	363.502	1.700	20	30		FDEDRO
CC1(C)CC[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)N(CC#Cc2ccccc2)C1	ZINC001089696752	889142765	/nfs/dbraw/zinc/14/27/65/889142765.db2.gz	HUWGNEHIAUTHFK-QRVBRYPASA-N	1	0	367.493	1.766	20	30		FDEDRO
COc1cccc([C@H]2C[NH2+]CCN2C[C@H](O)COc2ccccc2C#N)c1	ZINC000923424404	889202456	/nfs/dbraw/zinc/20/24/56/889202456.db2.gz	XGJCOFNNWNGGSE-AZUAARDMSA-N	1	0	367.449	1.953	20	30		FDEDRO
COc1cccc([C@@H]2C[NH2+]CCN2C[C@@H](O)COc2ccc(C#N)cc2)c1	ZINC000923421160	889223457	/nfs/dbraw/zinc/22/34/57/889223457.db2.gz	GBIBLDCAODTABM-NQIIRXRSSA-N	1	0	367.449	1.953	20	30		FDEDRO
CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)Nc1nn(C(C)C)cc1C#N	ZINC000369515004	889240471	/nfs/dbraw/zinc/24/04/71/889240471.db2.gz	GHOUVEGZKJIUIY-CVEARBPZSA-N	1	0	372.473	1.749	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@H]2C)CC1	ZINC000946902543	889265086	/nfs/dbraw/zinc/26/50/86/889265086.db2.gz	XLKVMMULYVTRAO-NXHRZFHOSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1nc(C)c[nH]1)C2	ZINC001112543547	889360076	/nfs/dbraw/zinc/36/00/76/889360076.db2.gz	HJAHGUPHLKRGIJ-VCBZYWHSSA-N	1	0	359.474	1.241	20	30		FDEDRO
CC(C)[NH2+]CCCNS(=O)(=O)c1ccc(Br)c(C#N)c1	ZINC000903485823	913355106	/nfs/dbraw/zinc/35/51/06/913355106.db2.gz	JCSKTPQNHKTQQD-UHFFFAOYSA-N	1	0	360.277	1.987	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)N1CCC(C)CC1	ZINC001127609212	889737164	/nfs/dbraw/zinc/73/71/64/889737164.db2.gz	PTTXMFPESYMDGG-BBWFWOEESA-N	1	0	351.491	1.320	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)Cc1ccsc1	ZINC001127609451	889743062	/nfs/dbraw/zinc/74/30/62/889743062.db2.gz	ZODLWIGRNCMKID-CVEARBPZSA-N	1	0	365.499	1.394	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1	ZINC000923575947	889910358	/nfs/dbraw/zinc/91/03/58/889910358.db2.gz	GRDBCZCQXUDVFI-FQEVSTJZSA-N	1	0	354.498	1.261	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cc([C@H]3CCCN3C)n[nH]2)[C@H](OC)C1	ZINC001212303806	889992266	/nfs/dbraw/zinc/99/22/66/889992266.db2.gz	NARRHAGGSJRVEH-KZNAEPCWSA-N	1	0	361.490	1.572	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)NC(=O)CC(F)(F)F)[C@H](OC)C1	ZINC001212315992	890069514	/nfs/dbraw/zinc/06/95/14/890069514.db2.gz	DIHOTBZTOZVDAR-JHJVBQTASA-N	1	0	365.396	1.225	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)C[C@H]1C	ZINC001106912480	890075527	/nfs/dbraw/zinc/07/55/27/890075527.db2.gz	DDGBCZANHOJZKA-GBCUEWQUSA-N	1	0	371.525	1.636	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2cccn3nnnc23)[C@H](OC)C1	ZINC001212323563	890134807	/nfs/dbraw/zinc/13/48/07/890134807.db2.gz	WGCYOCFJSVEBQG-HZPDHXFCSA-N	1	0	358.446	1.300	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccn(C(C)C)n2)[C@@H](n2ccnn2)C1	ZINC001129293639	890146722	/nfs/dbraw/zinc/14/67/22/890146722.db2.gz	KESOQBDIZMDUTB-SJORKVTESA-N	1	0	357.462	1.677	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1CN(CC(=O)N(CC)CCC#N)C[C@H]1OC	ZINC001212325252	890149053	/nfs/dbraw/zinc/14/90/53/890149053.db2.gz	UDCGVOKWIDTKMX-HZPDHXFCSA-N	1	0	364.490	1.166	20	30		FDEDRO
C=CCNC(=O)CN1C[C@@H](NC(=O)CCC[C@@H](C)CCC)[C@H](OC)C1	ZINC001212330335	890192105	/nfs/dbraw/zinc/19/21/05/890192105.db2.gz	PIJMLLCKJNFHIR-GVDBMIGSSA-N	1	0	353.507	1.711	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)C1	ZINC000939244956	890274800	/nfs/dbraw/zinc/27/48/00/890274800.db2.gz	GTUKGQMLQVNDLX-RVKKMQEKSA-N	1	0	371.485	1.585	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(NC(=O)C[N@@H+](C)C2CCC2)CCC1	ZINC001063216489	890313281	/nfs/dbraw/zinc/31/32/81/890313281.db2.gz	AENCDZSKDOSLBT-SJORKVTESA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(NC(=O)C[NH+](CC)CC)CCC1	ZINC001063216648	890314907	/nfs/dbraw/zinc/31/49/07/890314907.db2.gz	DWGAAAPJRGPACF-CVEARBPZSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNC(=O)CCC[NH+]2CCCC2)CCC1	ZINC001063338703	890460312	/nfs/dbraw/zinc/46/03/12/890460312.db2.gz	JDEISYOREKTEQO-SJORKVTESA-N	1	0	363.502	1.609	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1	ZINC001001844629	891425759	/nfs/dbraw/zinc/42/57/59/891425759.db2.gz	PFXZXRAKLBJJEO-MOPGFXCFSA-N	1	0	371.481	1.705	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+]([C@H]2CCN(C(C)C)C2=O)CC1	ZINC001001852783	891458101	/nfs/dbraw/zinc/45/81/01/891458101.db2.gz	WZXNGXIXRKYPBT-SQNIBIBYSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1	ZINC001001889037	891566630	/nfs/dbraw/zinc/56/66/30/891566630.db2.gz	OEMKOCHHLMCWIL-KSZLIROESA-N	1	0	363.502	1.415	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC[NH+]([C@@H](C)C(=O)N(C)C)CC1	ZINC001001933735	891685319	/nfs/dbraw/zinc/68/53/19/891685319.db2.gz	GWFWZYJXFGPOFX-XIRDDKMYSA-N	1	0	351.491	1.273	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c(F)cccc2F)C[C@H]1C	ZINC001106916143	891763414	/nfs/dbraw/zinc/76/34/14/891763414.db2.gz	BPGDJVFBAVXAEP-MGPQQGTHSA-N	1	0	363.408	1.400	20	30		FDEDRO
C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c[nH]c(C#N)c2)C3)CC1	ZINC001002131497	891966922	/nfs/dbraw/zinc/96/69/22/891966922.db2.gz	WQKNMMVKPYJROO-ZACQAIPSSA-N	1	0	355.442	1.090	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1	ZINC001002149796	891993582	/nfs/dbraw/zinc/99/35/82/891993582.db2.gz	DKTLJSVZPYDCTQ-IEZWGBDMSA-N	1	0	363.502	1.274	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(C#N)c1)C2	ZINC001002141512	892027952	/nfs/dbraw/zinc/02/79/52/892027952.db2.gz	LRYVWSSNXVTQAL-ZJPYXAASSA-N	1	0	369.469	1.622	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1	ZINC001002218376	892246498	/nfs/dbraw/zinc/24/64/98/892246498.db2.gz	BACBKGMJLSYXEH-UWVAXJGDSA-N	1	0	361.486	1.028	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1	ZINC001002222397	892257954	/nfs/dbraw/zinc/25/79/54/892257954.db2.gz	BXQKRSQRZOUCAY-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C	ZINC000940380341	892395925	/nfs/dbraw/zinc/39/59/25/892395925.db2.gz	ZFFXNILHAYSURO-PILAGYSTSA-N	1	0	368.437	1.502	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2sccc2C(F)F)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106932260	893026996	/nfs/dbraw/zinc/02/69/96/893026996.db2.gz	XCCPHMRZRXMBME-GHMZBOCLSA-N	1	0	370.425	1.623	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1	ZINC000940745285	893073029	/nfs/dbraw/zinc/07/30/29/893073029.db2.gz	SYJBLLAVWSQZGD-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2OCC)C[C@H]1C	ZINC001106939693	893104855	/nfs/dbraw/zinc/10/48/55/893104855.db2.gz	HGUGXKJWKLXALJ-HZPDHXFCSA-N	1	0	359.470	1.685	20	30		FDEDRO
C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CCN(CC#N)CC2(C)C)CC1	ZINC000940750893	893114529	/nfs/dbraw/zinc/11/45/29/893114529.db2.gz	JYBVKPUZSLNCAG-KURKYZTESA-N	1	0	362.518	1.474	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC(C)(C)C(F)(F)F)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106936987	893161347	/nfs/dbraw/zinc/16/13/47/893161347.db2.gz	BVBWDMQCHIATAH-VXGBXAGGSA-N	1	0	362.396	1.289	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCCN(C(=O)c3ccc(C#N)[nH]3)CC2)CC[N@@H+]1C	ZINC000940789388	893189785	/nfs/dbraw/zinc/18/97/85/893189785.db2.gz	LJBZUWFAVWRKEE-DOTOQJQBSA-N	1	0	357.458	1.291	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2n[nH]c3ccccc32)C[C@H]1C	ZINC001106941946	893272630	/nfs/dbraw/zinc/27/26/30/893272630.db2.gz	LKSSRGYELWLHAI-ZIAGYGMSSA-N	1	0	355.442	1.163	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1	ZINC000921954940	893415190	/nfs/dbraw/zinc/41/51/90/893415190.db2.gz	BBTAFLPJFNMECO-QWHCGFSZSA-N	1	0	351.451	1.139	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Oc2ccccc2)C[C@H]1C	ZINC001106944292	893534052	/nfs/dbraw/zinc/53/40/52/893534052.db2.gz	AAVQJUVWSIFPLN-IXDOHACOSA-N	1	0	359.470	1.440	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC[C@@H]2CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1	ZINC001002745286	893778526	/nfs/dbraw/zinc/77/85/26/893778526.db2.gz	ORKCUFRAURFLNZ-ATZDWAIDSA-N	1	0	368.481	1.466	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)CC1(C)C	ZINC000941087976	893829659	/nfs/dbraw/zinc/82/96/59/893829659.db2.gz	SXDFAYHFLOMBAU-JZXOWHBKSA-N	1	0	365.518	1.663	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3c(s2)CCC3)C[C@H]1C	ZINC001106950707	894017642	/nfs/dbraw/zinc/01/76/42/894017642.db2.gz	FLQAXRDWAVTMDV-UKRRQHHQSA-N	1	0	359.495	1.284	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCN(C(=O)[C@H](CC)[NH+](C)C)CC1	ZINC000941211488	894254676	/nfs/dbraw/zinc/25/46/76/894254676.db2.gz	DYVSYQAHRSBXJA-IKGGRYGDSA-N	1	0	351.491	1.369	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCN(C(=O)[C@@H](CC)[NH+](C)C)CC1	ZINC000941211489	894256149	/nfs/dbraw/zinc/25/61/49/894256149.db2.gz	DYVSYQAHRSBXJA-ZACQAIPSSA-N	1	0	351.491	1.369	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-]	ZINC000922021660	894465660	/nfs/dbraw/zinc/46/56/60/894465660.db2.gz	BIROUHOFXSEQNS-UHFFFAOYSA-N	1	0	365.455	1.930	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cn2c(n1)CCC[C@H]2C	ZINC000922025801	894536747	/nfs/dbraw/zinc/53/67/47/894536747.db2.gz	NRROHRGTOZYJEB-CQSZACIVSA-N	1	0	350.488	1.499	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccnn1CC1CCC1	ZINC000922026606	894542872	/nfs/dbraw/zinc/54/28/72/894542872.db2.gz	UTTLKNFEVRRPRQ-UHFFFAOYSA-N	1	0	350.488	1.401	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](C[C@H]2CCc3ncnn32)CC1	ZINC001002846739	894584180	/nfs/dbraw/zinc/58/41/80/894584180.db2.gz	JZAMRXWGDAWZFQ-ZACQAIPSSA-N	1	0	359.474	1.327	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1	ZINC000941332047	894738395	/nfs/dbraw/zinc/73/83/95/894738395.db2.gz	JCWVOHDKIMBZCK-KURKYZTESA-N	1	0	363.502	1.513	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)COc2ccc(C)cc2)C[C@H]1C	ZINC001106956393	894876480	/nfs/dbraw/zinc/87/64/80/894876480.db2.gz	ZZZFIOGKZZJBMB-KZNAEPCWSA-N	1	0	371.481	1.196	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCc2ccc(OC)cc2)C[C@H]1C	ZINC001106956971	894956960	/nfs/dbraw/zinc/95/69/60/894956960.db2.gz	JDLHMBGITIQPLD-IEBWSBKVSA-N	1	0	358.482	1.962	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCc2ccccc2OC)C[C@H]1C	ZINC001106957121	894960298	/nfs/dbraw/zinc/96/02/98/894960298.db2.gz	PHXFNHLFSJPYAT-IEBWSBKVSA-N	1	0	358.482	1.962	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CCNC(=O)c2ccco2)C[C@H]1C	ZINC001106957931	895063982	/nfs/dbraw/zinc/06/39/82/895063982.db2.gz	NSKGMOGLYUCCJF-HZPDHXFCSA-N	1	0	363.458	1.286	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)C[C@H]1C	ZINC001106962182	895981561	/nfs/dbraw/zinc/98/15/61/895981561.db2.gz	BAODBCOJAUGWPO-OAGGEKHMSA-N	1	0	364.490	1.405	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H](OC)C1	ZINC000942012620	896134046	/nfs/dbraw/zinc/13/40/46/896134046.db2.gz	AATGITILQCIDER-ZJIFWQFVSA-N	1	0	351.491	1.271	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2CCN(C(N)=O)CC2)C[C@H]1C	ZINC001106966284	896396729	/nfs/dbraw/zinc/39/67/29/896396729.db2.gz	KWAUTEVZCXOLEX-BFYDXBDKSA-N	1	0	350.507	1.816	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(CNC(N)=O)cc2)C[C@H]1C	ZINC001106967249	896586734	/nfs/dbraw/zinc/58/67/34/896586734.db2.gz	VGTWKWDWLCTQSA-MLGOLLRUSA-N	1	0	364.877	1.905	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@]2(C3CCCC3)CCNC2=O)[C@H](OC)C1	ZINC001212426338	896752297	/nfs/dbraw/zinc/75/22/97/896752297.db2.gz	WVIHLQNFSFMRBV-MBOZVWFJSA-N	1	0	363.502	1.465	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)CC2(CCOCC2)C1	ZINC001089947325	896805335	/nfs/dbraw/zinc/80/53/35/896805335.db2.gz	CFWWRXDLFCGHHL-RCCFBDPRSA-N	1	0	370.497	1.534	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2c(C)noc2C)C[C@H]1C	ZINC001106968851	896857673	/nfs/dbraw/zinc/85/76/73/896857673.db2.gz	WEWJLCYGJKMSLZ-CZUORRHYSA-N	1	0	362.474	1.210	20	30		FDEDRO
COC(=O)c1ccc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nn1	ZINC000298706173	896933759	/nfs/dbraw/zinc/93/37/59/896933759.db2.gz	JFOQBQOGMBGNRX-UHFFFAOYSA-N	1	0	351.410	1.847	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1	ZINC000942450633	897058075	/nfs/dbraw/zinc/05/80/75/897058075.db2.gz	RVVCAXOGAIJEBS-KURKYZTESA-N	1	0	363.502	1.415	20	30		FDEDRO
CC#CC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@@H]3CCO[C@H]3CC)C2)n1	ZINC001128112982	897206928	/nfs/dbraw/zinc/20/69/28/897206928.db2.gz	PVFGZKQHPNERTJ-OTWHNJEPSA-N	1	0	370.497	1.705	20	30		FDEDRO
C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)CC2(CCOCC2)C1	ZINC001089957135	897244556	/nfs/dbraw/zinc/24/45/56/897244556.db2.gz	JENCZFRHWXRMHN-GBESFXJTSA-N	1	0	353.466	1.806	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](OC)C1	ZINC000942531365	897261651	/nfs/dbraw/zinc/26/16/51/897261651.db2.gz	NHLKJPIPBURXJY-HZPDHXFCSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCN(C(=O)NCc1cccnc1OCC(F)F)C1CC[NH+](C)CC1	ZINC000921712469	897278694	/nfs/dbraw/zinc/27/86/94/897278694.db2.gz	OOZMWNGJXGEXRL-UHFFFAOYSA-N	1	0	366.412	1.965	20	30		FDEDRO
C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001032041919	897639997	/nfs/dbraw/zinc/63/99/97/897639997.db2.gz	DZQZAYWAVHQVFK-PKOBYXMFSA-N	1	0	356.470	1.615	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCCc3ccc(C)cc3)C[C@H]2O)cn1	ZINC001078032650	897679554	/nfs/dbraw/zinc/67/95/54/897679554.db2.gz	YZSDYXFMDPPFAR-NHCUHLMSSA-N	1	0	363.461	1.779	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2OCCc3ccsc32)C1	ZINC001078033420	897683229	/nfs/dbraw/zinc/68/32/29/897683229.db2.gz	JCUPJBOKEPXBOD-BZUAXINKSA-N	1	0	350.484	1.880	20	30		FDEDRO
CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000942728274	897696071	/nfs/dbraw/zinc/69/60/71/897696071.db2.gz	CDKSSTHOBBTGLV-VNQPRFMTSA-N	1	0	357.458	1.290	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@]23CCC[C@H]2N(C(=O)C[NH+]2CCCC2)CC3)c[nH]1	ZINC000995277694	897750851	/nfs/dbraw/zinc/75/08/51/897750851.db2.gz	NBEVZAPQXFIUSJ-YLJYHZDGSA-N	1	0	369.469	1.483	20	30		FDEDRO
Cc1cc(C#N)nc(N2CC=C(CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1	ZINC001089870342	897835135	/nfs/dbraw/zinc/83/51/35/897835135.db2.gz	QDUIHHDZJNKOSY-CRAIPNDOSA-N	1	0	368.485	1.640	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1C	ZINC001106991839	897979846	/nfs/dbraw/zinc/97/98/46/897979846.db2.gz	RUXOQDCHRGOLNB-BZUAXINKSA-N	1	0	357.520	1.109	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)cc1	ZINC000765931217	898178852	/nfs/dbraw/zinc/17/88/52/898178852.db2.gz	GNGGVAZPJSOBBQ-CABCVRRESA-N	1	0	363.483	1.153	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@@H](C[NH+](CC)CC)C1	ZINC000184732651	898648861	/nfs/dbraw/zinc/64/88/61/898648861.db2.gz	PNUGGACVZMRUQA-INIZCTEOSA-N	1	0	357.454	1.827	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CCCC[NH+]1CCCC1	ZINC001078537860	898907491	/nfs/dbraw/zinc/90/74/91/898907491.db2.gz	DMJNBWMNEJHWOF-KSZLIROESA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)N2CCCC2=O)C[C@H]1C	ZINC001107000944	899061651	/nfs/dbraw/zinc/06/16/51/899061651.db2.gz	FWZDVLMKWGAOQD-BRWVUGGUSA-N	1	0	351.491	1.274	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C2	ZINC001001700580	899208192	/nfs/dbraw/zinc/20/81/92/899208192.db2.gz	TZCKSIIYOSUQOB-ZRNYENFQSA-N	1	0	365.477	1.553	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)c1cccc(F)c1	ZINC001107005830	899292314	/nfs/dbraw/zinc/29/23/14/899292314.db2.gz	ALEUMSYBEXJZEG-IJEWVQPXSA-N	1	0	360.433	1.253	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1	ZINC001061022778	899296278	/nfs/dbraw/zinc/29/62/78/899296278.db2.gz	XHRKMXHNJNZLIH-BRWVUGGUSA-N	1	0	363.502	1.369	20	30		FDEDRO
C#CCCCCC(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1	ZINC001061022799	899296475	/nfs/dbraw/zinc/29/64/75/899296475.db2.gz	YFOHWLUSXMOABA-QZTJIDSGSA-N	1	0	359.514	1.971	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C	ZINC001107017016	899553425	/nfs/dbraw/zinc/55/34/25/899553425.db2.gz	LIPLGIJJWKMUCI-WSTZPKSXSA-N	1	0	367.493	1.803	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C)(C)CC(C)(C)C)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001107017497	899556238	/nfs/dbraw/zinc/55/62/38/899556238.db2.gz	ZQHLTOCVWAVTAZ-HUUCEWRRSA-N	1	0	350.507	1.773	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C)nc2C)C[C@H]1C	ZINC001107020279	899595704	/nfs/dbraw/zinc/59/57/04/899595704.db2.gz	HFTXAHVEDLNHIQ-KBRIMQKVSA-N	1	0	358.486	1.687	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C	ZINC000944044711	899737528	/nfs/dbraw/zinc/73/75/28/899737528.db2.gz	IJTXCKATPJOGRT-XDNAFOTISA-N	1	0	363.502	1.559	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(N(C)C(C)=O)cc2)C[C@H]1C	ZINC001107055902	900183824	/nfs/dbraw/zinc/18/38/24/900183824.db2.gz	NBDJRLRQRLJEML-VQIMIIECSA-N	1	0	371.481	1.617	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@@H](C)C(C)C)[C@H](C)C1	ZINC001107058804	900290917	/nfs/dbraw/zinc/29/09/17/900290917.db2.gz	BBNFLGAKQOWREY-IXDOHACOSA-N	1	0	353.507	1.424	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CCC#N)[C@H](C)C1	ZINC001107058965	900303680	/nfs/dbraw/zinc/30/36/80/900303680.db2.gz	KHBFSYFYKDHINH-IAGOWNOFSA-N	1	0	364.490	1.025	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)n2C2CC2)[C@H](C)C1	ZINC001107062730	900376855	/nfs/dbraw/zinc/37/68/55/900376855.db2.gz	QXYAECAZVKYRCW-IJEWVQPXSA-N	1	0	361.490	1.697	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cn(CC3CC3)nn2)[C@H](C)C1	ZINC001107063171	900448278	/nfs/dbraw/zinc/44/82/78/900448278.db2.gz	DTZXKFNVBMRYHF-HLLBOEOZSA-N	1	0	361.490	1.463	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)COCC(C)C)[C@H](C)C1	ZINC001107065176	900455026	/nfs/dbraw/zinc/45/50/26/900455026.db2.gz	IXMHNFYBWRJNHK-KURKYZTESA-N	1	0	356.507	1.297	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)C2CC2)[C@H](C)C1	ZINC001107065378	900455043	/nfs/dbraw/zinc/45/50/43/900455043.db2.gz	LQRCGTIQYPDGTG-OWCLPIDISA-N	1	0	351.491	1.273	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001107081629	900611549	/nfs/dbraw/zinc/61/15/49/900611549.db2.gz	YXSJSBLCESECSU-CZUORRHYSA-N	1	0	360.433	1.537	20	30		FDEDRO
CC(C)C[C@@H](C(N)=O)C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1	ZINC001107094671	900829992	/nfs/dbraw/zinc/82/99/92/900829992.db2.gz	KSMYKEBBTURXFN-LZQZEXGQSA-N	1	0	370.497	1.890	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1(CNC(=O)CC[N@@H+](C)CCC)CCC1	ZINC001063848722	901164648	/nfs/dbraw/zinc/16/46/48/901164648.db2.gz	WUGXMGFHZGOTMD-SJORKVTESA-N	1	0	365.518	1.855	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CCNc2nccnc2C#N)CC[N@@H+]1C	ZINC001063853268	901169598	/nfs/dbraw/zinc/16/95/98/901169598.db2.gz	QCZSWXIHMKWOJG-OWCLPIDISA-N	1	0	356.474	1.872	20	30		FDEDRO
CCc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)cc1CC	ZINC001107105826	901295738	/nfs/dbraw/zinc/29/57/38/901295738.db2.gz	RAUNCOCFPVIJSS-DNVCBOLYSA-N	1	0	370.497	1.749	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CCN(c4ccc(C#N)cn4)C3)C2)CC[N@@H+]1C	ZINC001064649576	901517005	/nfs/dbraw/zinc/51/70/05/901517005.db2.gz	DJLPXODDGATSDS-WRWLIDTKSA-N	1	0	353.470	1.722	20	30		FDEDRO
N#Cc1ccc(N2C[C@@H]3CCN(C(=O)CCC[NH+]4CCCC4)[C@@H]3C2)cn1	ZINC001090317629	901650543	/nfs/dbraw/zinc/65/05/43/901650543.db2.gz	FVYLYVIYASXKMH-QFBILLFUSA-N	1	0	353.470	1.866	20	30		FDEDRO
N#Cc1cccnc1N1C[C@@H]2CCN(C(=O)CCCn3ccnc3)[C@@H]2C1	ZINC001090319566	901667156	/nfs/dbraw/zinc/66/71/56/901667156.db2.gz	OHXIQKAKESDEQX-DLBZAZTESA-N	1	0	350.426	1.667	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC2(C)CCN(c3nccnc3C#N)CC2)CC[N@@H+]1C	ZINC001065115850	901858723	/nfs/dbraw/zinc/85/87/23/901858723.db2.gz	UELZDJPXLSAXDA-GOEBONIOSA-N	1	0	356.474	1.554	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@H]4CCC(=O)NC4)[C@@H]3C2)c1	ZINC001084400179	914571516	/nfs/dbraw/zinc/57/15/16/914571516.db2.gz	LQTAZOAEAFKJOK-BHIYHBOVSA-N	1	0	366.465	1.507	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cc(C)nn2C)C1	ZINC001079130036	901939316	/nfs/dbraw/zinc/93/93/16/901939316.db2.gz	UBBARSMRBJUKSV-WOJBJXKFSA-N	1	0	366.465	1.439	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2nnc[nH]2)CC[C@H]1c1ccc(F)cc1	ZINC001079150084	901981832	/nfs/dbraw/zinc/98/18/32/901981832.db2.gz	AKNBSDXUKKIDGN-DLBZAZTESA-N	1	0	355.417	1.484	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2COCCN2C)CC[C@H]1c1ccc(F)cc1	ZINC001079151329	901984365	/nfs/dbraw/zinc/98/43/65/901984365.db2.gz	LSZVNKMFZKXJJZ-IPMKNSEASA-N	1	0	361.461	1.616	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1CN(CC#N)C[C@H]1O	ZINC001079134615	901997740	/nfs/dbraw/zinc/99/77/40/901997740.db2.gz	IHIUSOSMRHIUKD-XUVXKRRUSA-N	1	0	370.497	1.457	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2c[nH]nc2C)C1	ZINC001079140554	902027410	/nfs/dbraw/zinc/02/74/10/902027410.db2.gz	OKCQIQRBFKVJOM-RTBURBONSA-N	1	0	354.454	1.982	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCN(C)C2=O)C1	ZINC001079141695	902033824	/nfs/dbraw/zinc/03/38/24/902033824.db2.gz	SRTGSPAZNYKIGA-GUDVDZBRSA-N	1	0	371.481	1.115	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1c1cccc(F)c1	ZINC001079180413	902067296	/nfs/dbraw/zinc/06/72/96/902067296.db2.gz	SDZGHKVDCWDBDM-JKSUJKDBSA-N	1	0	359.405	1.283	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)CC[C@H]1c1ccc(F)cc1	ZINC001079154423	902068470	/nfs/dbraw/zinc/06/84/70/902068470.db2.gz	CEAQLNDOXHWMMF-RCCFBDPRSA-N	1	0	357.429	1.259	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)CC[C@H]1c1ccc(F)cc1	ZINC001079155761	902072740	/nfs/dbraw/zinc/07/27/40/902072740.db2.gz	RTQXGOWEBLBTNN-DLBZAZTESA-N	1	0	370.428	1.693	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(C)nn(C)c2OC)C[C@H]1c1cccc(F)c1	ZINC001079201005	902100678	/nfs/dbraw/zinc/10/06/78/902100678.db2.gz	LGVWNPMWTYXVJP-DLBZAZTESA-N	1	0	370.428	1.707	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COc2cccnc2)C[C@H]1c1cccc(F)c1	ZINC001079203824	902106508	/nfs/dbraw/zinc/10/65/08/902106508.db2.gz	QITYIJPHRNABEZ-RBUKOAKNSA-N	1	0	353.397	1.817	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2cnccn2)C[C@H]1c1cccc(F)c1	ZINC001079205887	902111439	/nfs/dbraw/zinc/11/14/39/902111439.db2.gz	JZLLZLZJGYLJKM-RBUKOAKNSA-N	1	0	352.413	1.766	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cn2nc(C)ccc2=O)C[C@H]1c1cccc(F)c1	ZINC001079206919	902112934	/nfs/dbraw/zinc/11/29/34/902112934.db2.gz	DVXIJTOEMCLHCZ-ZWKOTPCHSA-N	1	0	370.428	1.461	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCN2CCCC2=O)C[C@H]1c1cccc(F)c1	ZINC001079210033	902119245	/nfs/dbraw/zinc/11/92/45/902119245.db2.gz	USEIVRAJCXDNCX-ZWKOTPCHSA-N	1	0	357.429	1.355	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn3c2CCC3)C[C@H]1c1cccc(F)c1	ZINC001079186609	902131991	/nfs/dbraw/zinc/13/19/91/902131991.db2.gz	UMUSSGYSZFUQCB-ZWKOTPCHSA-N	1	0	352.413	1.799	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3nncn3C2)C[C@H]1c1cccc(F)c1	ZINC001079211126	902147729	/nfs/dbraw/zinc/14/77/29/902147729.db2.gz	RTZKJRMUTGREMI-RYQLBKOJSA-N	1	0	367.428	1.197	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1c1cccc(F)c1	ZINC001079194631	902154665	/nfs/dbraw/zinc/15/46/65/902154665.db2.gz	DOKHFNDZXHCEHI-UONOGXRCSA-N	1	0	364.812	1.300	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3ncoc3CC)[C@@H]3COC[C@@H]32)CC1	ZINC001079231530	902165643	/nfs/dbraw/zinc/16/56/43/902165643.db2.gz	OTOVCAUEXJCPJT-JKSUJKDBSA-N	1	0	357.454	1.813	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)Cc3ccnn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079239159	902183716	/nfs/dbraw/zinc/18/37/16/902183716.db2.gz	GKFAGBADSWUQHD-ZWKOTPCHSA-N	1	0	358.486	1.478	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[C@@H]3C(F)F)[C@@H]3COC[C@@H]32)CC1	ZINC001079240443	902188746	/nfs/dbraw/zinc/18/87/46/902188746.db2.gz	ORYGKDLRDBJRAM-YHUYYLMFSA-N	1	0	352.425	1.850	20	30		FDEDRO
CC[C@H](C[NH+]1CCC2(CN(C(=O)C#CC3CC3)[C@@H]3COC[C@@H]32)CC1)OC	ZINC001079240725	902190072	/nfs/dbraw/zinc/19/00/72/902190072.db2.gz	ACYYLWFBKZVMIE-CEXWTWQISA-N	1	0	360.498	1.764	20	30		FDEDRO
O=C(C#CC1CC1)N1CC2(CC[NH+](C[C@@H]3CCOC3)CC2)[C@H]2COC[C@H]21	ZINC001079241114	902191322	/nfs/dbraw/zinc/19/13/22/902191322.db2.gz	KHQQZKBDYZYKLC-GBESFXJTSA-N	1	0	358.482	1.376	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3cc[n+]([O-])cc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079220913	902219021	/nfs/dbraw/zinc/21/90/21/902219021.db2.gz	BVOYTFCKIAYRMV-ZWKOTPCHSA-N	1	0	357.454	1.449	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3ccc(C)n3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079221321	902221416	/nfs/dbraw/zinc/22/14/16/902221416.db2.gz	ZSQADVQSOKBPMA-PKOBYXMFSA-N	1	0	355.482	1.910	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CN(C(=O)Cn3cccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079223472	902225539	/nfs/dbraw/zinc/22/55/39/902225539.db2.gz	UQWQQAPMMBURLM-ZWKOTPCHSA-N	1	0	358.486	1.789	20	30		FDEDRO
Cc1ncccc1C[NH+]1CCC2(CN(C(=O)[C@H](C)C#N)[C@@H]3COC[C@@H]32)CC1	ZINC001079228694	902245691	/nfs/dbraw/zinc/24/56/91/902245691.db2.gz	WEYYVFOXVFXNRV-AYOQOUSVSA-N	1	0	368.481	1.989	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3scnc3CC)[C@@H]3COC[C@@H]32)CC1	ZINC001079245035	902251983	/nfs/dbraw/zinc/25/19/83/902251983.db2.gz	UETFVSZSHAZCHL-GOEBONIOSA-N	1	0	359.495	1.892	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCNC3=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079246192	902257543	/nfs/dbraw/zinc/25/75/43/902257543.db2.gz	VIFFTBZFNRSKLU-IXDOHACOSA-N	1	0	361.486	1.028	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3snnc3CC)[C@@H]3COC[C@@H]32)CC1	ZINC001079250255	902268191	/nfs/dbraw/zinc/26/81/91/902268191.db2.gz	VLACEOGFIHXRMG-DZGCQCFKSA-N	1	0	362.499	1.840	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3onc4c3CCCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079251199	902271745	/nfs/dbraw/zinc/27/17/45/902271745.db2.gz	KYVKKXQQYWFXFM-FUHWJXTLSA-N	1	0	369.465	1.740	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)Cn3nc(C)cc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079251394	902273058	/nfs/dbraw/zinc/27/30/58/902273058.db2.gz	UUPHOILZJGHJPX-RBUKOAKNSA-N	1	0	370.497	1.463	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCO[C@H]3C3CC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079252205	902274494	/nfs/dbraw/zinc/27/44/94/902274494.db2.gz	DFEHGNGYPQYOCF-WCIQWLHISA-N	1	0	372.509	1.764	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)CCn3nc(C)cc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079254672	902280599	/nfs/dbraw/zinc/28/05/99/902280599.db2.gz	ONSGWSFHWXSEBB-RBUKOAKNSA-N	1	0	370.497	1.463	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)[C@]3(F)CCOC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079256955	902286941	/nfs/dbraw/zinc/28/69/41/902286941.db2.gz	NWAMAVBFHCRDKQ-FCEWJHQRSA-N	1	0	350.434	1.078	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC(=O)N3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079258263	902292349	/nfs/dbraw/zinc/29/23/49/902292349.db2.gz	WAHMCUKKRPSGBO-GVDBMIGSSA-N	1	0	361.486	1.123	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3c[nH]c(=O)cc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079259993	902297285	/nfs/dbraw/zinc/29/72/85/902297285.db2.gz	XEZOLEXMENPQIO-DLBZAZTESA-N	1	0	355.438	1.282	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cc(C)nn3CC)[C@@H]3COC[C@@H]32)CC1	ZINC001079263499	902305211	/nfs/dbraw/zinc/30/52/11/902305211.db2.gz	YECCNNFXCAQKQH-FUHWJXTLSA-N	1	0	358.486	1.950	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3cccnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079263453	902305304	/nfs/dbraw/zinc/30/53/04/902305304.db2.gz	VAXUEQZSIPZRIF-ZGXWSNOMSA-N	1	0	365.477	1.758	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc(COC)on3)[C@@H]3COC[C@@H]32)CC1	ZINC001079264021	902308998	/nfs/dbraw/zinc/30/89/98/902308998.db2.gz	WFIVCKBWPSUPIN-DOTOQJQBSA-N	1	0	359.426	1.007	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cc(CC)nn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079268113	902319897	/nfs/dbraw/zinc/31/98/97/902319897.db2.gz	NMKXDPXSFGQZKJ-FUHWJXTLSA-N	1	0	358.486	1.722	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCc4n[nH]cc4C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079270249	902328853	/nfs/dbraw/zinc/32/88/53/902328853.db2.gz	JDLHNQMVQUAVIA-HHXXYDBFSA-N	1	0	368.481	1.087	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cn(C)nc3Cl)[C@@H]3COC[C@@H]32)CC1	ZINC001079270265	902328956	/nfs/dbraw/zinc/32/89/56/902328956.db2.gz	JXPWUHRFMJWXPV-LSDHHAIUSA-N	1	0	364.877	1.813	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2CC)C[C@H]1c1ccccc1F	ZINC001079299418	902343660	/nfs/dbraw/zinc/34/36/60/902343660.db2.gz	PCZPJEKYRPXKGS-HNAYVOBHSA-N	1	0	354.429	1.953	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3cncn3C2)C[C@H]1c1ccccc1F	ZINC001079300569	902346441	/nfs/dbraw/zinc/34/64/41/902346441.db2.gz	OHDSWJBUGWLHCZ-ZAAXVRCTSA-N	1	0	366.440	1.802	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCCC(=O)N2)C[C@H]1c1ccccc1F	ZINC001079302423	902352133	/nfs/dbraw/zinc/35/21/33/902352133.db2.gz	YOJVSIRGJUKZAI-UWWQBHOKSA-N	1	0	359.445	1.955	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cnc(CC)s3)[C@@H]3COC[C@@H]32)CC1	ZINC001079274370	902356459	/nfs/dbraw/zinc/35/64/59/902356459.db2.gz	QMDXKGWPHGAVST-LSDHHAIUSA-N	1	0	359.495	1.892	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)[C@@H](C)c3cnn(C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079276355	902360651	/nfs/dbraw/zinc/36/06/51/902360651.db2.gz	GLUHBSHXDFVIFA-YTQUADARSA-N	1	0	370.497	1.486	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CCc2ccnn2C)C1	ZINC001079286921	902381588	/nfs/dbraw/zinc/38/15/88/902381588.db2.gz	GRVGUTHZIJLXHM-UCLAIMLFSA-N	1	0	369.444	1.846	20	30		FDEDRO
C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1c1ccccc1F	ZINC001079290381	902388462	/nfs/dbraw/zinc/38/84/62/902388462.db2.gz	HUHCTCMLFRFWNX-XLWVJDPXSA-N	1	0	356.401	1.604	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2nnc(C)[nH]2)C[C@H]1c1ccccc1F	ZINC001079295279	902397730	/nfs/dbraw/zinc/39/77/30/902397730.db2.gz	YQENNQFUTRGQCC-DOTOQJQBSA-N	1	0	357.433	1.955	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(N)=O)C1	ZINC001079299063	902407380	/nfs/dbraw/zinc/40/73/80/902407380.db2.gz	VAPMASGWAACIRU-DOTOQJQBSA-N	1	0	370.428	1.496	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccoc2CC(N)=O)C[C@H]1c1ccccc1F	ZINC001079307617	902440679	/nfs/dbraw/zinc/44/06/79/902440679.db2.gz	UMKYJYVGBLZWBL-DOTOQJQBSA-N	1	0	371.412	1.830	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCC)C2)C[C@H]1c1ccccc1F	ZINC001079313637	902448877	/nfs/dbraw/zinc/44/88/77/902448877.db2.gz	MYSHTOFDAUTRQF-VDZJLULYSA-N	1	0	371.456	1.601	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(C#N)c[nH]2)C3)CC[N@@H+]1C	ZINC000996005484	902883021	/nfs/dbraw/zinc/88/30/21/902883021.db2.gz	FKVVRFSVZNVZDR-QVDCYYDOSA-N	1	0	355.442	1.088	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C3=CCOCC3)C2)cc1C#N	ZINC001079612495	902925763	/nfs/dbraw/zinc/92/57/63/902925763.db2.gz	RLPLGBGKZYWJLQ-RDTXWAMCSA-N	1	0	355.438	1.850	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C#N)[nH]1)C2	ZINC000996096599	903075438	/nfs/dbraw/zinc/07/54/38/903075438.db2.gz	RATWZXBPRPQNTO-IWCQGFGOSA-N	1	0	355.442	1.232	20	30		FDEDRO
C[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001079710373	903120637	/nfs/dbraw/zinc/12/06/37/903120637.db2.gz	FPHFNSPHZFIGKG-JEBQAFNWSA-N	1	0	358.511	1.898	20	30		FDEDRO
COc1nc(C)ncc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C	ZINC001079816175	903329322	/nfs/dbraw/zinc/32/93/22/903329322.db2.gz	RVKXLVNDXXUUAN-FZKQIMNGSA-N	1	0	365.437	1.916	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1	ZINC000764122544	903622843	/nfs/dbraw/zinc/62/28/43/903622843.db2.gz	ZLMDYVBYCNXHBO-UHFFFAOYSA-N	1	0	365.499	1.254	20	30		FDEDRO
C=CCC[C@H](C)[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)nn2)C1	ZINC001107180130	903630642	/nfs/dbraw/zinc/63/06/42/903630642.db2.gz	BXPDOBWJMCFKTR-IAOVAPTHSA-N	1	0	369.473	1.633	20	30		FDEDRO
CC1(C)CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC000996302890	903641757	/nfs/dbraw/zinc/64/17/57/903641757.db2.gz	AUQZBKDUARBFIE-YCPHGPKFSA-N	1	0	358.417	1.145	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCCNC3=O)C2)cc1C#N	ZINC001079903505	903643318	/nfs/dbraw/zinc/64/33/18/903643318.db2.gz	TWDQRHVKCKAIRW-KBRIMQKVSA-N	1	0	370.453	1.030	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1(C)C	ZINC000996303313	903647924	/nfs/dbraw/zinc/64/79/24/903647924.db2.gz	DYONZEYGONFYBJ-VYDXJSESSA-N	1	0	370.453	1.015	20	30		FDEDRO
CC1(C)CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC000996305892	903657992	/nfs/dbraw/zinc/65/79/92/903657992.db2.gz	SCWFRTYJZXVANG-IJEWVQPXSA-N	1	0	358.417	1.145	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)nn2)C(C)(C)C1	ZINC000996330913	903711768	/nfs/dbraw/zinc/71/17/68/903711768.db2.gz	NXDJHXSJJCZVBP-OWCLPIDISA-N	1	0	360.458	1.403	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)c2c[nH+]ccc2N(C)C)C1	ZINC000996494988	904014057	/nfs/dbraw/zinc/01/40/57/904014057.db2.gz	JRVKRROHXJLDJS-PBHICJAKSA-N	1	0	358.442	1.069	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNC(=O)NCCNc2ncccc2C#N)CCCO1	ZINC000764269596	904178367	/nfs/dbraw/zinc/17/83/67/904178367.db2.gz	KUXNMUOYBRPMDH-OAHLLOKOSA-N	1	0	360.462	1.165	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)F)CCC[C@@H]12	ZINC001107258289	904180176	/nfs/dbraw/zinc/18/01/76/904180176.db2.gz	CFKKKCCCAHAQJG-FZKQIMNGSA-N	1	0	368.453	1.107	20	30		FDEDRO
CC(=O)N[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccc(C#N)c1)CC2	ZINC001107267001	904230117	/nfs/dbraw/zinc/23/01/17/904230117.db2.gz	YBPCLZYONGMMGO-NYSBEXSLSA-N	1	0	368.481	1.944	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(CC)n[nH]3)CCC[C@@H]12	ZINC001107288812	904306419	/nfs/dbraw/zinc/30/64/19/904306419.db2.gz	TXPZAVVZNBUYKL-VQIMIIECSA-N	1	0	359.474	1.249	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N[C@@H](C)C(C)C)CC2	ZINC001107330732	904460556	/nfs/dbraw/zinc/46/05/56/904460556.db2.gz	LHJBMWDEMUMQJU-SQGPQFPESA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H]1CCc3ncnn31)CC2	ZINC001107328955	904491350	/nfs/dbraw/zinc/49/13/50/904491350.db2.gz	CMWSHDVGSPJSFV-GPMSIDNRSA-N	1	0	359.474	1.329	20	30		FDEDRO
Cc1cncc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)c1	ZINC001107339781	904519928	/nfs/dbraw/zinc/51/99/28/904519928.db2.gz	CGMLCRQSUYRWBZ-VQIMIIECSA-N	1	0	355.442	1.004	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C#N)c[nH]3)CCC[C@@H]12	ZINC001107349443	904551183	/nfs/dbraw/zinc/55/11/83/904551183.db2.gz	BDUFFJZYFMLALB-VQIMIIECSA-N	1	0	355.442	1.163	20	30		FDEDRO
CC[C@@H](SC)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107363618	904562828	/nfs/dbraw/zinc/56/28/28/904562828.db2.gz	JNAZHEHVMOZIKG-CKEIUWERSA-N	1	0	352.504	1.129	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC2CC2)CC3)c[nH]1	ZINC001107373063	904601159	/nfs/dbraw/zinc/60/11/59/904601159.db2.gz	ZCGKLUOYDSUCCD-YLJYHZDGSA-N	1	0	369.469	1.387	20	30		FDEDRO
CCc1occc1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107389895	904640097	/nfs/dbraw/zinc/64/00/97/904640097.db2.gz	SJGCXXPFWCZDGO-VQIMIIECSA-N	1	0	358.442	1.456	20	30		FDEDRO
C#CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCOCC1)CC2	ZINC001107384767	904661919	/nfs/dbraw/zinc/66/19/19/904661919.db2.gz	QDUIUNLXZGGOGX-YLJYHZDGSA-N	1	0	361.486	1.010	20	30		FDEDRO
Cc1sccc1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107396513	904711533	/nfs/dbraw/zinc/71/15/33/904711533.db2.gz	CHTSFANKZFWXGG-CRAIPNDOSA-N	1	0	360.483	1.671	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1cnc2nccn2c1	ZINC001080130474	904807517	/nfs/dbraw/zinc/80/75/17/904807517.db2.gz	LIBQRMHOZJFCSB-RDTXWAMCSA-N	1	0	360.421	1.851	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3nnn(C(C)(C)C)n3)CCC[C@@H]12	ZINC001107416221	904828837	/nfs/dbraw/zinc/82/88/37/904828837.db2.gz	GIRMLSAZPIGQGK-DNVCBOLYSA-N	1	0	360.506	1.908	20	30		FDEDRO
C#Cc1cccc(NC(=S)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1	ZINC000764504847	904841496	/nfs/dbraw/zinc/84/14/96/904841496.db2.gz	RCEKRGXXUYVFIV-QGZVFWFLSA-N	1	0	356.495	1.603	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cn(C)nc3C3CC3)CCC[C@@H]12	ZINC001107420759	904869416	/nfs/dbraw/zinc/86/94/16/904869416.db2.gz	GVXCVKJQOFULEO-WIYYLYMNSA-N	1	0	370.497	1.922	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1CCNC(=O)CC1	ZINC001080201036	904936695	/nfs/dbraw/zinc/93/66/95/904936695.db2.gz	YOPAUFJNQFFIJD-FHLIZLRMSA-N	1	0	354.454	1.411	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)[C@H](OC)C1	ZINC001081720499	904954944	/nfs/dbraw/zinc/95/49/44/904954944.db2.gz	QAHOUWMZDXZSBH-BZUAXINKSA-N	1	0	351.491	1.415	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC3(F)F)CCC[C@@H]12	ZINC001107446497	904958779	/nfs/dbraw/zinc/95/87/79/904958779.db2.gz	KBVKJIPNSKKFQD-JJRVBVJISA-N	1	0	353.413	1.142	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CN(C)C[C@@H](C)O3)CCC[C@@H]12	ZINC001107448349	904965737	/nfs/dbraw/zinc/96/57/37/904965737.db2.gz	GZYPNGGXLNJDPJ-SOAMZJECSA-N	1	0	365.518	1.269	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCN(C)C(=O)C3)CCC[C@@H]12	ZINC001107453563	904995585	/nfs/dbraw/zinc/99/55/85/904995585.db2.gz	QKHKASBASRZFMJ-MBOZVWFJSA-N	1	0	363.502	1.418	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CCS(=O)(=O)CC(C)C)CCC[C@@H]12	ZINC001107454045	905009384	/nfs/dbraw/zinc/00/93/84/905009384.db2.gz	OLPGJSIPABLENS-IEBWSBKVSA-N	1	0	368.543	1.831	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1CCCc2nn[nH]c21	ZINC001080346104	905259786	/nfs/dbraw/zinc/25/97/86/905259786.db2.gz	MYTWAXKDLCCYNN-RPVQJOFSSA-N	1	0	364.453	1.733	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@]3(C)CCC(=O)NC3)CCC[C@@H]12	ZINC001107514609	905308877	/nfs/dbraw/zinc/30/88/77/905308877.db2.gz	OCRDBMSJZJPIFT-LSTHTHJFSA-N	1	0	363.502	1.466	20	30		FDEDRO
NC(=O)C1(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC#Cc2ccccc2)CC3)CC1	ZINC001107527903	905384491	/nfs/dbraw/zinc/38/44/91/905384491.db2.gz	ALBBUDWILPEBGX-WIYYLYMNSA-N	1	0	365.477	1.664	20	30		FDEDRO
C=CCC1(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NC(N)=O)CC3)CCC1	ZINC001107537039	905430953	/nfs/dbraw/zinc/43/09/53/905430953.db2.gz	OICIYJQGPRADMI-AUUYWEPGSA-N	1	0	362.474	1.289	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2coc3c2C(=O)NCCC3)[C@H](OC)C1	ZINC001081964456	905449760	/nfs/dbraw/zinc/44/97/60/905449760.db2.gz	IZKKPUIPBPABCA-GDBMZVCRSA-N	1	0	361.442	1.351	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(=O)n3C)CCC[C@@H]12	ZINC001107540646	905452386	/nfs/dbraw/zinc/45/23/86/905452386.db2.gz	WWCJSPFUTSLIMY-YLJYHZDGSA-N	1	0	357.454	1.010	20	30		FDEDRO
C#CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3CCO[C@H]3C3CC3)CC2)CC1	ZINC000996785467	905465204	/nfs/dbraw/zinc/46/52/04/905465204.db2.gz	JQENAWOTXSLIRD-TUNPWDSISA-N	1	0	359.514	1.480	20	30		FDEDRO
CC#CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)CC1	ZINC000996790472	905531248	/nfs/dbraw/zinc/53/12/48/905531248.db2.gz	YBXLUDSFCNOLSZ-WKXIVMOISA-N	1	0	359.514	1.622	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cccnc2-n2cccn2)[C@H](OC)C1	ZINC001082009558	905541828	/nfs/dbraw/zinc/54/18/28/905541828.db2.gz	JJNYFQMKFKOEAT-IAGOWNOFSA-N	1	0	355.442	1.663	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3nccn4ccnc34)CCC[C@@H]12	ZINC001107553787	905564884	/nfs/dbraw/zinc/56/48/84/905564884.db2.gz	QZZQQDNJJJJMSO-OXQOHEQNSA-N	1	0	369.469	1.906	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C)cc3F)CCC[C@@H]12	ZINC001107558649	905611657	/nfs/dbraw/zinc/61/16/57/905611657.db2.gz	DVCQURQJEALFPJ-WIYYLYMNSA-N	1	0	371.456	1.858	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C)[nH]c3=O)CCC[C@@H]12	ZINC001107558910	905613157	/nfs/dbraw/zinc/61/31/57/905613157.db2.gz	PHHITIJKLJDHQM-YLJYHZDGSA-N	1	0	357.454	1.720	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)[C@H](OC)C1	ZINC001082050354	905619731	/nfs/dbraw/zinc/61/97/31/905619731.db2.gz	UNZRQNIRQCKZPK-ARFHVFGLSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)Cc3ccccc3)C[C@H]2C)nn1	ZINC001080579988	905735759	/nfs/dbraw/zinc/73/57/59/905735759.db2.gz	CVCNBDPRXZIBOA-BPQIPLTHSA-N	1	0	369.469	1.118	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(OC)c3)C[C@H]2C)nn1	ZINC001080580078	905736041	/nfs/dbraw/zinc/73/60/41/905736041.db2.gz	HYSHPWLAWSTVIH-RHSMWYFYSA-N	1	0	355.442	1.723	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CC(C)(C)CO3)C[C@H]2C)nn1	ZINC001080589670	905757626	/nfs/dbraw/zinc/75/76/26/905757626.db2.gz	GAPSFSNCOFJMAQ-BZUAXINKSA-N	1	0	361.490	1.719	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@H](OC)C3CCC3)C[C@H]2C)nn1	ZINC001080589769	905757690	/nfs/dbraw/zinc/75/76/90/905757690.db2.gz	KOTREGFQTZWCOJ-KYJSFNMBSA-N	1	0	361.490	1.719	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)C(=O)NCC(F)(F)F)CCC[C@@H]12	ZINC001107589358	905802786	/nfs/dbraw/zinc/80/27/86/905802786.db2.gz	FSZKMVLSWJDQFI-BXUZGUMPSA-N	1	0	367.799	1.778	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCCn3cncn3)CCC[C@@H]12	ZINC001107599152	905901745	/nfs/dbraw/zinc/90/17/45/905901745.db2.gz	AEUSYRHBZKCRQI-IEBWSBKVSA-N	1	0	359.474	1.069	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)CCC(=O)NCCCOC)CCC[C@@H]12	ZINC001107604463	905946215	/nfs/dbraw/zinc/94/62/15/905946215.db2.gz	WPCMSLURJITJCM-YLJYHZDGSA-N	1	0	365.518	1.856	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](OC)C1	ZINC001082138170	905956151	/nfs/dbraw/zinc/95/61/51/905956151.db2.gz	RNNJFALFSCENKD-QZTJIDSGSA-N	1	0	365.905	1.972	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CN3CC(=O)N(C)C3=O)CCC[C@@H]12	ZINC001107608574	905956442	/nfs/dbraw/zinc/95/64/42/905956442.db2.gz	ZIGNGYCFVKHXHV-DNVCBOLYSA-N	1	0	362.474	1.207	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)Cn3nc(C)n(C)c3=O)CCC[C@@H]12	ZINC001107622417	906022011	/nfs/dbraw/zinc/02/20/11/906022011.db2.gz	HIZQQEYKGBXWHS-VQIMIIECSA-N	1	0	361.490	1.217	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cncnc3C3CC3)CCC[C@@H]12	ZINC001107623258	906028915	/nfs/dbraw/zinc/02/89/15/906028915.db2.gz	YDKRXEAKGWLMAI-WIYYLYMNSA-N	1	0	368.481	1.978	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)c3cccc(F)c3)CCC[C@@H]12	ZINC001107625180	906037358	/nfs/dbraw/zinc/03/73/58/906037358.db2.gz	JVBKVWOATAZAOE-WIYYLYMNSA-N	1	0	371.456	1.940	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)NC(=O)c3ccccc3)CCC[C@@H]12	ZINC001107625110	906037644	/nfs/dbraw/zinc/03/76/44/906037644.db2.gz	HBUAIPZGWDMQLS-HGHGUNKESA-N	1	0	353.466	1.799	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2(N3CCOCC3)CCCC2)[C@H](OC)C1	ZINC001082192067	906141640	/nfs/dbraw/zinc/14/16/40/906141640.db2.gz	TYUGYVAZEJFOEK-IAGOWNOFSA-N	1	0	351.491	1.023	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1CCCCN(C)C1=O	ZINC001080770030	906202042	/nfs/dbraw/zinc/20/20/42/906202042.db2.gz	SKTQZNHXJDAJKX-AYOQOUSVSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCc1cnn(C)c1)CC2	ZINC001107650628	906225251	/nfs/dbraw/zinc/22/52/51/906225251.db2.gz	ILBOYPNYIBZWFE-ILZDJORESA-N	1	0	360.502	1.915	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cnnn2-c2ccccc2)[C@H](OC)C1	ZINC001082187435	906229543	/nfs/dbraw/zinc/22/95/43/906229543.db2.gz	LFOQCVYYXWEPNX-SJLPKXTDSA-N	1	0	355.442	1.663	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc(N(C)C)ccn3)CCC[C@@H]12	ZINC001107651752	906231655	/nfs/dbraw/zinc/23/16/55/906231655.db2.gz	CKEHRZDCHSHQBO-TZIWHRDSSA-N	1	0	370.497	1.772	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cccn(CC(C)C)c2=O)[C@H](OC)C1	ZINC001082206098	906255306	/nfs/dbraw/zinc/25/53/06/906255306.db2.gz	HYZNAXJWDBOGBS-QZTJIDSGSA-N	1	0	361.486	1.900	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1C	ZINC001080805577	906289944	/nfs/dbraw/zinc/28/99/44/906289944.db2.gz	ZZVDMKLHELUNMT-CRAIPNDOSA-N	1	0	367.453	1.120	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCCCCS(N)(=O)=O)CCC[C@@H]12	ZINC001107662999	906292454	/nfs/dbraw/zinc/29/24/54/906292454.db2.gz	ODMJUQMGPMLOCO-SJLPKXTDSA-N	1	0	369.531	1.219	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2OC)cc1	ZINC001082211993	906294009	/nfs/dbraw/zinc/29/40/09/906294009.db2.gz	RZNDDPKMGLEMTH-KFKAGJAMSA-N	1	0	358.438	1.164	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CC(=O)NC3=O)CCC[C@@H]12	ZINC001107657833	906306889	/nfs/dbraw/zinc/30/68/89/906306889.db2.gz	RHKVREKATKRUCS-PBFPGSCMSA-N	1	0	353.850	1.153	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1OC	ZINC001082216752	906315492	/nfs/dbraw/zinc/31/54/92/906315492.db2.gz	AFFGJITXKUWHSR-MANSERQUSA-N	1	0	366.502	1.742	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1OC	ZINC001082227617	906423754	/nfs/dbraw/zinc/42/37/54/906423754.db2.gz	VSSCDEOEIJJUMA-NMLBUPMWSA-N	1	0	374.481	1.476	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1C	ZINC001080850227	906443920	/nfs/dbraw/zinc/44/39/20/906443920.db2.gz	DTYOIEKDSHWVEK-OXQOHEQNSA-N	1	0	350.466	1.623	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)nc3c2cnn3C)[C@H](OC)C1	ZINC001082277751	906591687	/nfs/dbraw/zinc/59/16/87/906591687.db2.gz	FKQWVFOQMAQAML-IAGOWNOFSA-N	1	0	357.458	1.672	20	30		FDEDRO
C#CCC[NH2+][C@H]1CCN(c2cccc(CNC(=O)[C@H]3OCC[C@H]3CC)n2)C1	ZINC001127839462	906625325	/nfs/dbraw/zinc/62/53/25/906625325.db2.gz	PYRUQSMJDYPDCF-KPFFTGBYSA-N	1	0	370.497	1.705	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1OC	ZINC001082345270	906934281	/nfs/dbraw/zinc/93/42/81/906934281.db2.gz	CDTKGTSZOQNJDP-WOJBJXKFSA-N	1	0	356.466	1.595	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1OC	ZINC001082345470	906936922	/nfs/dbraw/zinc/93/69/22/906936922.db2.gz	LRJAAZIHBBSYHE-WOJBJXKFSA-N	1	0	366.465	1.002	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@H]1OC	ZINC001082345705	906938102	/nfs/dbraw/zinc/93/81/02/906938102.db2.gz	XNUCYOGVSWPZTD-IOMROCGXSA-N	1	0	370.493	1.843	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCc2ccccc2OC)C[C@H]1O	ZINC001077698226	906939015	/nfs/dbraw/zinc/93/90/15/906939015.db2.gz	ZYOIKUKIVGSAPI-MKXGPGLRSA-N	1	0	374.481	1.380	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2c(C(F)(F)F)cnn2C)[C@H](OC)C1	ZINC001082350268	907038362	/nfs/dbraw/zinc/03/83/62/907038362.db2.gz	NCTXWNUSCRVAJF-CHWSQXEVSA-N	1	0	360.380	1.834	20	30		FDEDRO
CCN1c2ccccc2C(=NNC(=S)NCC(C)(C)C[NH+](C)C)C1=O	ZINC000727066222	907134558	/nfs/dbraw/zinc/13/45/58/907134558.db2.gz	LACDEKBVOJHWET-UHFFFAOYSA-N	1	0	361.515	1.809	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCc2cnn(C)c2)C1	ZINC001081098383	907161573	/nfs/dbraw/zinc/16/15/73/907161573.db2.gz	AEMDYBBXWFSQBR-ZYSHUDEJSA-N	1	0	351.454	1.706	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1c1ccccc1	ZINC001081124620	907184456	/nfs/dbraw/zinc/18/44/56/907184456.db2.gz	OVSNDOAMLWZUGU-IXDOHACOSA-N	1	0	361.873	1.801	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccc(OC)nn2)CC1	ZINC000997078959	907196781	/nfs/dbraw/zinc/19/67/81/907196781.db2.gz	CSNVPUSLXHQJNU-WMZOPIPTSA-N	1	0	360.458	1.547	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCS(=O)(=O)C2)C[C@H]1c1ccccc1	ZINC001081140924	907249838	/nfs/dbraw/zinc/24/98/38/907249838.db2.gz	FKLWNAIDTQRWPR-BPQIPLTHSA-N	1	0	360.479	1.029	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(C(C)C)CCO2)C[C@H]1c1ccccc1	ZINC001081168015	907288726	/nfs/dbraw/zinc/28/87/26/907288726.db2.gz	CLAPGHSLVRJQEB-ZCNNSNEGSA-N	1	0	355.482	1.313	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CCN(C2CCCCC2)C1=O)C1CC[NH+](C)CC1	ZINC000921517325	907313219	/nfs/dbraw/zinc/31/32/19/907313219.db2.gz	AAHSLOHLCWBGMI-SFHVURJKSA-N	1	0	360.502	1.659	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCN(C2CCCCC2)C1=O)C1CC[NH+](C)CC1	ZINC000921517322	907313314	/nfs/dbraw/zinc/31/33/14/907313314.db2.gz	AAHSLOHLCWBGMI-GOSISDBHSA-N	1	0	360.502	1.659	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccnc3nc(C)nn32)C[C@H]1c1ccccc1	ZINC001081214008	907322533	/nfs/dbraw/zinc/32/25/33/907322533.db2.gz	ZNDKLKKTZMHEMM-DLBZAZTESA-N	1	0	360.421	1.264	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN2C(=O)CCC)[C@H](OC)C1	ZINC001082381616	907354949	/nfs/dbraw/zinc/35/49/49/907354949.db2.gz	SUEGNAYJHUKBKC-FGTMMUONSA-N	1	0	365.518	1.949	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cn2ccc(C)cc2=O)C[C@H]1c1ccccc1	ZINC001081188788	907365189	/nfs/dbraw/zinc/36/51/89/907365189.db2.gz	GCLVHIHGYXXCPX-RBUKOAKNSA-N	1	0	351.450	1.927	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)C2CC2)C[C@H]1c1ccccc1	ZINC001081193051	907371117	/nfs/dbraw/zinc/37/11/17/907371117.db2.gz	GNVNXHHFJVWTSW-ZCNNSNEGSA-N	1	0	365.477	1.605	20	30		FDEDRO
Cn1cc(CNC(=O)COC2CC[NH+](C)CC2)c(-c2ccc(C#N)cc2)n1	ZINC001127891660	907514913	/nfs/dbraw/zinc/51/49/13/907514913.db2.gz	CQASWSVTJFACGV-UHFFFAOYSA-N	1	0	367.453	1.686	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3snnc3C)C[C@H]2C)cc1C#N	ZINC001082420121	907592061	/nfs/dbraw/zinc/59/20/61/907592061.db2.gz	UZKKSKJMHFYAMP-IAQYHMDHSA-N	1	0	371.466	1.977	20	30		FDEDRO
Cc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(C#N)ccc3F)C2)cnn1C	ZINC001082425365	907661661	/nfs/dbraw/zinc/66/16/61/907661661.db2.gz	CDYLECCGGRMQKJ-KZULUSFZSA-N	1	0	355.417	1.990	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCO[C@]2(CCSC2)C1)C1CC[NH+](C)CC1	ZINC000921540268	907710879	/nfs/dbraw/zinc/71/08/79/907710879.db2.gz	GKJIYHMHLNRPPJ-CRAIPNDOSA-N	1	0	351.516	1.780	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCCc3ccccc32)C1	ZINC001082450592	907728476	/nfs/dbraw/zinc/72/84/76/907728476.db2.gz	AVCLTWWDPOEWJH-BFYDXBDKSA-N	1	0	354.454	1.562	20	30		FDEDRO
Cc1cnn(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)c1	ZINC001082439788	907771357	/nfs/dbraw/zinc/77/13/57/907771357.db2.gz	LDHJRCIEVLMJHI-VQIMIIECSA-N	1	0	367.453	1.731	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1[NH2+]Cc1ccc2c(c1)nnn2C	ZINC001082464512	907898732	/nfs/dbraw/zinc/89/87/32/907898732.db2.gz	RAYHWUOYIOOJGR-SJKOYZFVSA-N	1	0	363.425	1.418	20	30		FDEDRO
Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC001082483724	907906415	/nfs/dbraw/zinc/90/64/15/907906415.db2.gz	DMRGOSJSWDWMSJ-IAQYHMDHSA-N	1	0	359.455	1.168	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082472605	907923450	/nfs/dbraw/zinc/92/34/50/907923450.db2.gz	UNFFSZUZFQGOJU-QGPMSJSTSA-N	1	0	370.453	1.052	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H](OC)C3CC3)C[C@H]2C)cc1C#N	ZINC001082493929	908020772	/nfs/dbraw/zinc/02/07/72/908020772.db2.gz	QERPFUAKDMXFSV-OMWUSAIZSA-N	1	0	357.454	1.928	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(C#N)ccc3F)C2)o1	ZINC001082498960	908075343	/nfs/dbraw/zinc/07/53/43/908075343.db2.gz	DNZXTRAMAIVPGR-BDJLRTHQSA-N	1	0	357.389	1.568	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]Cc1ccn(CC(F)(F)F)n1	ZINC001082504802	908115219	/nfs/dbraw/zinc/11/52/19/908115219.db2.gz	IBUCSYPCKHLCRK-IUODEOHRSA-N	1	0	354.376	1.795	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1	ZINC001060822732	908128573	/nfs/dbraw/zinc/12/85/73/908128573.db2.gz	FGKGPGFHZXDIKM-VQHPVUNQSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CCn1c(-c2ccccn2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000282155524	908319156	/nfs/dbraw/zinc/31/91/56/908319156.db2.gz	CLNSWQMSYMHYHS-INIZCTEOSA-N	1	0	354.458	1.685	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2(CF)CC2)CC1	ZINC000997357866	908326227	/nfs/dbraw/zinc/32/62/27/908326227.db2.gz	RHNWJIYUVOVCIY-IKGGRYGDSA-N	1	0	361.461	1.329	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[C@H]2C2CC2)CC1	ZINC000997357444	908326689	/nfs/dbraw/zinc/32/66/89/908326689.db2.gz	LKGXDRAXTLASNV-RMMWZPCPSA-N	1	0	369.509	1.626	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2ccccc2=O)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082543289	908422249	/nfs/dbraw/zinc/42/22/49/908422249.db2.gz	OIWSCAONLKZEED-VQIMIIECSA-N	1	0	364.449	1.747	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCC3)C[C@H]1C	ZINC001082546747	908463055	/nfs/dbraw/zinc/46/30/55/908463055.db2.gz	PPCYLZMGCHKJSD-QMTHXVAHSA-N	1	0	353.264	1.788	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)Cc2cnn(C)c2C)C[C@H]1C	ZINC001082551856	908513785	/nfs/dbraw/zinc/51/37/85/908513785.db2.gz	IBCMMRNXAPVABY-QMTHXVAHSA-N	1	0	355.280	1.616	20	30		FDEDRO
CC[C@]1(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)CCNC1=O	ZINC001082571874	908569552	/nfs/dbraw/zinc/56/95/52/908569552.db2.gz	DNQRCGLFXYIAJF-ZTQAJYAQSA-N	1	0	354.454	1.411	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1C	ZINC001082562710	908644512	/nfs/dbraw/zinc/64/45/12/908644512.db2.gz	GGVQILGQHWBFPS-BXKDBHETSA-N	1	0	355.236	1.234	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082562859	908646709	/nfs/dbraw/zinc/64/67/09/908646709.db2.gz	QTABEXKHYGAFIZ-SJKOYZFVSA-N	1	0	369.400	1.537	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(N(C)C)c2)C1	ZINC001082568099	908706383	/nfs/dbraw/zinc/70/63/83/908706383.db2.gz	XINQRASWTBSATI-UIFIKXQLSA-N	1	0	368.525	1.787	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csnc2OC)C1	ZINC001082568566	908711367	/nfs/dbraw/zinc/71/13/67/908711367.db2.gz	FCEYKKVEMAYHAI-BMFZPTHFSA-N	1	0	362.499	1.186	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1C	ZINC001082576258	908743428	/nfs/dbraw/zinc/74/34/28/908743428.db2.gz	YJJJUGADTGWTID-XOKHGSTOSA-N	1	0	370.453	1.030	20	30		FDEDRO
CN(CCC[NH+](C)C)CCNS(=O)(=O)c1ccc(CCC#N)cc1	ZINC000885294326	908856883	/nfs/dbraw/zinc/85/68/83/908856883.db2.gz	GOUNFHISHPHTHY-UHFFFAOYSA-N	1	0	352.504	1.305	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3nc(C)sc3C)C[C@H]2C)C1=O	ZINC001082586189	908906347	/nfs/dbraw/zinc/90/63/47/908906347.db2.gz	HHKFWLLBOQUYRH-BYCMXARLSA-N	1	0	362.499	1.597	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3nccn3C2)C[C@H]1C	ZINC001082603291	908914041	/nfs/dbraw/zinc/91/40/41/908914041.db2.gz	SXERORRXHKSHPH-KWCYVHTRSA-N	1	0	367.291	1.791	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082599705	908959163	/nfs/dbraw/zinc/95/91/63/908959163.db2.gz	GFYTUZJQXJJSGL-FZKQIMNGSA-N	1	0	368.412	1.646	20	30		FDEDRO
C[C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082614777	909050499	/nfs/dbraw/zinc/05/04/99/909050499.db2.gz	ISSJNGKRMOFTAJ-CRAIPNDOSA-N	1	0	354.454	1.507	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)[C@H](OC)C1	ZINC001212355020	909073693	/nfs/dbraw/zinc/07/36/93/909073693.db2.gz	QFROEIHMWCIKMB-BZUAXINKSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CC[NH+](C)CC1	ZINC000997545145	909108874	/nfs/dbraw/zinc/10/88/74/909108874.db2.gz	HMJMYVYAWUOSPW-SQNIBIBYSA-N	1	0	370.497	1.878	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cccc3c2OCCO3)[C@H](OC)C1	ZINC001212363844	909180039	/nfs/dbraw/zinc/18/00/39/909180039.db2.gz	NYJJUCZRCQEHKO-NVXWUHKLSA-N	1	0	362.426	1.089	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082632877	909191831	/nfs/dbraw/zinc/19/18/31/909191831.db2.gz	ZKKXXHHZNTXMAC-ZWNOBZJWSA-N	1	0	358.423	1.562	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCNC(=O)C2CC2)[C@H](OC)C1	ZINC001212365754	909213897	/nfs/dbraw/zinc/21/38/97/909213897.db2.gz	JRQSDKMOCQTZCU-DJIMGWMZSA-N	1	0	351.491	1.463	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082659215	909372484	/nfs/dbraw/zinc/37/24/84/909372484.db2.gz	BDHRJIHJPSQOID-SMNXXWJPSA-N	1	0	358.417	1.160	20	30		FDEDRO
C=C(C)CNCc1nnc2n1CC[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2	ZINC001127990750	909390147	/nfs/dbraw/zinc/39/01/47/909390147.db2.gz	JQRZMXYTDIGTDT-BZUAXINKSA-N	1	0	360.506	1.105	20	30		FDEDRO
CCn1cc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(C#N)ccc3F)C2)nn1	ZINC001082657572	909418417	/nfs/dbraw/zinc/41/84/17/909418417.db2.gz	GIQMXBSFSCOBDX-FZKQIMNGSA-N	1	0	370.432	1.488	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc(NC(C)=O)cn2)[C@H](OC)C1	ZINC001212377334	909497600	/nfs/dbraw/zinc/49/76/00/909497600.db2.gz	GXOXIWOMVHUHBF-FSPWUOQZSA-N	1	0	360.458	1.824	20	30		FDEDRO
Cc1n[nH]nc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1	ZINC001082679436	909500970	/nfs/dbraw/zinc/50/09/70/909500970.db2.gz	XCFHZXDEWQBMKY-MLGOLLRUSA-N	1	0	354.414	1.266	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc(OC)cs3)C[C@H]2C)C1=O	ZINC001082679797	909504946	/nfs/dbraw/zinc/50/49/46/909504946.db2.gz	XXSDNGPNYYVCAV-BPLDGKMQSA-N	1	0	363.483	1.594	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)o2)C1	ZINC001082685981	909573250	/nfs/dbraw/zinc/57/32/50/909573250.db2.gz	CIQHTQWLXDLFAQ-TZMCWYRMSA-N	1	0	354.472	1.832	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082696969	909651258	/nfs/dbraw/zinc/65/12/58/909651258.db2.gz	FSUDGQPSYSLJMB-WIBUTAKZSA-N	1	0	354.454	1.411	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082746404	909684662	/nfs/dbraw/zinc/68/46/62/909684662.db2.gz	DTHVRMWMUWGMCY-LJGDNWOOSA-N	1	0	372.444	1.535	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@H]1C	ZINC001082703946	909702871	/nfs/dbraw/zinc/70/28/71/909702871.db2.gz	PHPGZDNOQIYGPB-NRXGSXMXSA-N	1	0	361.417	1.632	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082746261	909977262	/nfs/dbraw/zinc/97/72/62/909977262.db2.gz	ULDKKODYYFZVAI-NKGKWGDASA-N	1	0	354.454	1.219	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082750287	909987515	/nfs/dbraw/zinc/98/75/15/909987515.db2.gz	DTVZJXHGZSJUFH-SJKOYZFVSA-N	1	0	356.405	1.385	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082750442	909989465	/nfs/dbraw/zinc/98/94/65/909989465.db2.gz	PEGNWQSAXNKCDB-SJKOYZFVSA-N	1	0	356.405	1.385	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C(=O)NC)c2)C1	ZINC001082752173	909999795	/nfs/dbraw/zinc/99/97/95/909999795.db2.gz	USVGDJULBQCVSS-AXUOBQJMSA-N	1	0	371.481	1.574	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)Cc3ccc(CC)cn3)C[C@H]2C)C1=O	ZINC001082754563	910006317	/nfs/dbraw/zinc/00/63/17/910006317.db2.gz	IXMTWLNAZOTVHU-AYOQOUSVSA-N	1	0	370.497	1.410	20	30		FDEDRO
COc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)c(C)nn1C	ZINC001082775563	910105113	/nfs/dbraw/zinc/10/51/13/910105113.db2.gz	DXTKNCCCNNVAMF-CXAGYDPISA-N	1	0	367.453	1.859	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)N2CCC(C)CC2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082787368	910165159	/nfs/dbraw/zinc/16/51/59/910165159.db2.gz	JFSNPVWQLMUYOE-VQIMIIECSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3conc3CC)C2)nn1	ZINC001082796027	910183912	/nfs/dbraw/zinc/18/39/12/910183912.db2.gz	PPPSJURHTUGZCW-CZUORRHYSA-N	1	0	358.446	1.655	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2c(C)nnn2CC)C1	ZINC001082798951	910217626	/nfs/dbraw/zinc/21/76/26/910217626.db2.gz	UGXIXXSXCBXSRH-VUNQQRPYSA-N	1	0	361.490	1.524	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(N)=O)s2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082803502	910230161	/nfs/dbraw/zinc/23/01/61/910230161.db2.gz	CFCRHKBTNVMJHQ-IUODEOHRSA-N	1	0	368.462	1.969	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ncc(Cl)n2C)CC1	ZINC000998094162	910330601	/nfs/dbraw/zinc/33/06/01/910330601.db2.gz	GWGOOPIGUHWZRL-CABCVRRESA-N	1	0	366.893	1.993	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CCC[N@H+](CC(=O)N2CCC2)CC1	ZINC000998124190	910412905	/nfs/dbraw/zinc/41/29/05/910412905.db2.gz	DGDVEZCZFBRGFR-KSZLIROESA-N	1	0	363.502	1.513	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ncoc3C(C)C)C[C@H]2C)C1=O	ZINC001082845440	910418821	/nfs/dbraw/zinc/41/88/21/910418821.db2.gz	XRFMTIPVVYRVFV-QLFBSQMISA-N	1	0	360.458	1.635	20	30		FDEDRO
COc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)nn1	ZINC001082841290	910449652	/nfs/dbraw/zinc/44/96/52/910449652.db2.gz	DGAILGUJJZRIES-SJKOYZFVSA-N	1	0	369.400	1.746	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cncn2C)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082893215	910744578	/nfs/dbraw/zinc/74/45/78/910744578.db2.gz	UONAIOJJIADKLH-DNVCBOLYSA-N	1	0	351.454	1.861	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)Cc3cccc(OC)c3)C[C@H]2C)C1=O	ZINC001082898551	910753150	/nfs/dbraw/zinc/75/31/50/910753150.db2.gz	OFYLOOVJOCZWCL-AYOQOUSVSA-N	1	0	371.481	1.461	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc(C)n(C)c3C)C[C@H]2C)C1=O	ZINC001082910305	910845775	/nfs/dbraw/zinc/84/57/75/910845775.db2.gz	IWZJUNCPAOJXCG-FSPWUOQZSA-N	1	0	358.486	1.479	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2ccc3n[nH]nc3c2)C[C@H]1C	ZINC001082914096	910878393	/nfs/dbraw/zinc/87/83/93/910878393.db2.gz	WMZPIEDHCWLOQV-YMTOWFKASA-N	1	0	364.247	1.917	20	30		FDEDRO
COC(=O)CN1CCC([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000273038460	910975375	/nfs/dbraw/zinc/97/53/75/910975375.db2.gz	FVUSLCDTCKLTOP-SFHVURJKSA-N	1	0	370.453	1.281	20	30		FDEDRO
CCN1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1	ZINC001082934011	910989432	/nfs/dbraw/zinc/98/94/32/910989432.db2.gz	TWFKRQFSIACKNP-LZQZEXGQSA-N	1	0	356.470	1.215	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H]3CCN(C)C3=O)C2)cc1	ZINC001082949275	911063907	/nfs/dbraw/zinc/06/39/07/911063907.db2.gz	DSIXSKOHZMAMPB-ATZDWAIDSA-N	1	0	371.481	1.461	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@H+](CCOC)C1	ZINC000273150726	911135123	/nfs/dbraw/zinc/13/51/23/911135123.db2.gz	HQTOYOVXZVAQEE-OAHLLOKOSA-N	1	0	362.430	1.426	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082959884	911158360	/nfs/dbraw/zinc/15/83/60/911158360.db2.gz	RMTOHTPJYMMQFY-XYPHTWIQSA-N	1	0	355.442	1.038	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1)N1CCOCC1	ZINC001082964321	911180991	/nfs/dbraw/zinc/18/09/91/911180991.db2.gz	XSQLUPQNSOAIEU-JTDSTZFVSA-N	1	0	356.470	1.215	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)CCc2cn(C)nn2)C[C@H]1C	ZINC001082961887	911184234	/nfs/dbraw/zinc/18/42/34/911184234.db2.gz	AFDBHPQPVKIZRA-ZWNOBZJWSA-N	1	0	356.268	1.093	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccc(OC)cc2)C[C@H]1O	ZINC001077822859	911254764	/nfs/dbraw/zinc/25/47/64/911254764.db2.gz	GXHKHKZCJGJVRC-NMLBUPMWSA-N	1	0	374.481	1.380	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)CCN(C)[C@H]2CCN(CC=C)C2=O)C1=O	ZINC000281488850	911263398	/nfs/dbraw/zinc/26/33/98/911263398.db2.gz	XCYSLXNEMUWJTF-OKZBNKHCSA-N	1	0	362.518	1.202	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cccn1	ZINC001085133759	921651148	/nfs/dbraw/zinc/65/11/48/921651148.db2.gz	PUYCGBPKELBBQY-QZTJIDSGSA-N	1	0	367.453	1.981	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C3)cn1	ZINC000998625947	911330976	/nfs/dbraw/zinc/33/09/76/911330976.db2.gz	QGWUOXDOYLTOIG-VLQPXKRTSA-N	1	0	366.465	1.266	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2	ZINC000998653867	911396630	/nfs/dbraw/zinc/39/66/30/911396630.db2.gz	BLHGRAVRELZOJU-FPSMNIFISA-N	1	0	373.497	1.312	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCO[C@@H]2C[N@H+](Cc3cccc4cccnc43)C[C@@H]21	ZINC001083026122	911607225	/nfs/dbraw/zinc/60/72/25/911607225.db2.gz	OXFRTTSBCQOJOI-JCGIZDLHSA-N	1	0	350.422	1.806	20	30		FDEDRO
C=C(Br)CN1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](OC)C1	ZINC001212410095	911837847	/nfs/dbraw/zinc/83/78/47/911837847.db2.gz	OIZITCMKHNMLPU-MGPQQGTHSA-N	1	0	360.296	1.051	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccnn3CC(F)(F)F)[C@H]2C1	ZINC001083112555	911904348	/nfs/dbraw/zinc/90/43/48/911904348.db2.gz	GDFQAEGSKGWJAV-UONOGXRCSA-N	1	0	358.364	1.547	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CN(c4ccccn4)C[C@H]3C)[C@H]2C1	ZINC001083084514	911954959	/nfs/dbraw/zinc/95/49/59/911954959.db2.gz	SVVBBUXSZOSENF-AKHDSKFASA-N	1	0	368.481	1.089	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@@H]21	ZINC001083085401	911956213	/nfs/dbraw/zinc/95/62/13/911956213.db2.gz	PLEIXSGZMJAXIS-LTIDMASMSA-N	1	0	370.440	1.925	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCC[N@H+]1C	ZINC000999016134	911968305	/nfs/dbraw/zinc/96/83/05/911968305.db2.gz	NXBFQTROAKHTFF-FYQPLNBISA-N	1	0	365.477	1.553	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC(=O)N(CC(C)C)C3)[C@H]2C1	ZINC001083099118	912005052	/nfs/dbraw/zinc/00/50/52/912005052.db2.gz	VDEMUGQVSZRKPW-OKZBNKHCSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cn(-c4ccccc4)nn3)[C@H]2C1	ZINC001083129239	912121277	/nfs/dbraw/zinc/12/12/77/912121277.db2.gz	AHYIVQSLNCMSSE-ZWKOTPCHSA-N	1	0	353.426	1.369	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1	ZINC000730103685	916134583	/nfs/dbraw/zinc/13/45/83/916134583.db2.gz	BMLXUEMHDZSDGP-NRFANRHFSA-N	1	0	368.525	1.721	20	30		FDEDRO
N#Cc1cccc(/C=C\C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1	ZINC000730218162	916325351	/nfs/dbraw/zinc/32/53/51/916325351.db2.gz	DRUJXZHPKPYIGP-HPFMTEOYSA-N	1	0	352.438	1.512	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)[C@@H]2C1	ZINC001084746807	916776511	/nfs/dbraw/zinc/77/65/11/916776511.db2.gz	NXBDWTDYOSGVCO-LZLYRXPVSA-N	1	0	359.474	1.427	20	30		FDEDRO
CN1C[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)CCC1=O	ZINC001084854436	917720537	/nfs/dbraw/zinc/72/05/37/917720537.db2.gz	LKLDZRRHHVIJCD-GUDVDZBRSA-N	1	0	366.465	1.459	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)c4ccc(=O)[nH]n4)C[C@@H]32)cc1	ZINC001084883818	917969838	/nfs/dbraw/zinc/96/98/38/917969838.db2.gz	DBDUTMDZZPQFIX-AEFFLSMTSA-N	1	0	363.421	1.790	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cncnc4C)C[C@@H]32)C1=O	ZINC001084897836	918088803	/nfs/dbraw/zinc/08/88/03/918088803.db2.gz	OLIDVSHGHUBGIY-JQHSSLGASA-N	1	0	369.469	1.108	20	30		FDEDRO
S=C(NN=C1CC[NH+](CCN2CCOCC2)CC1)Nc1cccnc1	ZINC000731557629	918198265	/nfs/dbraw/zinc/19/82/65/918198265.db2.gz	UKOYKGOPDDXQMN-UHFFFAOYSA-N	1	0	362.503	1.152	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cnn(CC)c4)C[C@@H]32)C1=O	ZINC001084907343	918204372	/nfs/dbraw/zinc/20/43/72/918204372.db2.gz	HTMMLGKAHNSGIL-SZMVWBNQSA-N	1	0	371.485	1.226	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)CN4CCOCC4)C[C@@H]32)cc1	ZINC001084922899	918372989	/nfs/dbraw/zinc/37/29/89/918372989.db2.gz	RLZYORWIKSDZGA-UXHICEINSA-N	1	0	368.481	1.313	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)CCc4ncc[nH]4)C[C@@H]32)C1=O	ZINC001084931076	918466277	/nfs/dbraw/zinc/46/62/77/918466277.db2.gz	ZMSIXMREEKNATP-BBWFWOEESA-N	1	0	371.485	1.052	20	30		FDEDRO
NC(=O)c1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)cc1	ZINC001084937638	918577399	/nfs/dbraw/zinc/57/73/99/918577399.db2.gz	NRMXCROQVVCXFY-MJGOQNOKSA-N	1	0	351.450	1.622	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3ccnn3C)[C@H]2C1	ZINC001084943345	918610891	/nfs/dbraw/zinc/61/08/91/918610891.db2.gz	VPHRLMWZQKJWIS-YSHGAJCASA-N	1	0	358.486	1.824	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3[nH]c(C)c(C(N)=O)c3CC)C[C@@H]21	ZINC001084957195	918812177	/nfs/dbraw/zinc/81/21/77/918812177.db2.gz	BYCDWDHPPUTHIM-ZBFHGGJFSA-N	1	0	356.470	1.544	20	30		FDEDRO
COc1cc(C=NNC(=S)NCCC[NH+](C)C)c([N+](=O)[O-])cc1OC	ZINC000731930928	918856961	/nfs/dbraw/zinc/85/69/61/918856961.db2.gz	SNHBQNHYVLMXFZ-UHFFFAOYSA-N	1	0	369.447	1.362	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)Cc4ccccc4)C[C@@H]32)C1=O	ZINC001084973655	919020065	/nfs/dbraw/zinc/02/00/65/919020065.db2.gz	NZDMGGJKGIQAIS-UFYCRDLUSA-N	1	0	367.493	1.939	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(=O)n(CCOC)c3)C[C@@H]21	ZINC001084979853	919131454	/nfs/dbraw/zinc/13/14/54/919131454.db2.gz	BMEFTBPITBWKRC-AEFFLSMTSA-N	1	0	357.454	1.054	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3sccc3-n3cnnn3)C[C@@H]21	ZINC001084980218	919138992	/nfs/dbraw/zinc/13/89/92/919138992.db2.gz	GSSNQTMYCXGPEL-HIFRSBDPSA-N	1	0	358.471	1.836	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(=O)n(CCOC)n3)C[C@@H]21	ZINC001084984521	919174183	/nfs/dbraw/zinc/17/41/83/919174183.db2.gz	APPNAICLKGRUIN-WBVHZDCISA-N	1	0	360.458	1.002	20	30		FDEDRO
C#CCCN1CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC1	ZINC000732277699	919297611	/nfs/dbraw/zinc/29/76/11/919297611.db2.gz	MVHGMKAHVXCVPE-UHFFFAOYSA-N	1	0	368.525	1.756	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cnc4cc(C)nn4c3C)C[C@@H]21	ZINC001085001801	919474755	/nfs/dbraw/zinc/47/47/55/919474755.db2.gz	FQXIWYLPEPAILH-AEFFLSMTSA-N	1	0	351.454	1.906	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4nnnn4CC3)C[C@@H]21	ZINC001085038627	919935804	/nfs/dbraw/zinc/93/58/04/919935804.db2.gz	ALDVWGSITNOLSX-IKGGRYGDSA-N	1	0	358.490	1.515	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3nnn(C)c3C(F)(F)F)C[C@@H]21	ZINC001085051876	920100594	/nfs/dbraw/zinc/10/05/94/920100594.db2.gz	ODMKSOHSUQDBIH-NEPJUHHUSA-N	1	0	357.380	1.946	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cnn4cccc(OC)c34)C[C@@H]21	ZINC001085057799	920217779	/nfs/dbraw/zinc/21/77/79/920217779.db2.gz	XHSSTUFYACBXLL-WBVHZDCISA-N	1	0	352.438	1.903	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(C)nc4c3cnn4C)C[C@@H]21	ZINC001085064404	920347711	/nfs/dbraw/zinc/34/77/11/920347711.db2.gz	ZLRHMMBIASPXCH-QAPCUYQASA-N	1	0	351.454	1.836	20	30		FDEDRO
CCn1cc(C(=O)N2CC[C@H]3CC[N@H+](Cc4cccc(C#N)c4)[C@H]3C2)nn1	ZINC001085064504	920350085	/nfs/dbraw/zinc/35/00/85/920350085.db2.gz	GWLOXTQCFGBPRR-MJGOQNOKSA-N	1	0	364.453	1.906	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)Cn4ccnc4)C[C@@H]32)s1	ZINC001085105972	920979483	/nfs/dbraw/zinc/97/94/83/920979483.db2.gz	WSJAIXSZLHYUOZ-PBHICJAKSA-N	1	0	355.467	1.939	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)C2CC(F)(F)C2)C1=O	ZINC001085165590	921944909	/nfs/dbraw/zinc/94/49/09/921944909.db2.gz	LMWOAUMVWCSGNW-RBSFLKMASA-N	1	0	355.429	1.836	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2cccnc2)C1=O	ZINC001085171565	921981332	/nfs/dbraw/zinc/98/13/32/921981332.db2.gz	VQLMWQBXYCFMRX-KZNAEPCWSA-N	1	0	356.470	1.428	20	30		FDEDRO
C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1)n1cncn1	ZINC001085175392	921998972	/nfs/dbraw/zinc/99/89/72/921998972.db2.gz	OEMHMFQSBPNJTD-APHBMKBZSA-N	1	0	358.471	1.989	20	30		FDEDRO
COc1cncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(C#N)c2)n1	ZINC001085176859	922007533	/nfs/dbraw/zinc/00/75/33/922007533.db2.gz	ZTBKRUQHYFZDIH-HZPDHXFCSA-N	1	0	354.414	1.516	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ncccc2O)C1=O	ZINC001085178739	922027123	/nfs/dbraw/zinc/02/71/23/922027123.db2.gz	SGCPBXYSQUUDMY-KFWWJZLASA-N	1	0	358.442	1.205	20	30		FDEDRO
CC(=O)N1CC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)C1	ZINC001085182461	922044903	/nfs/dbraw/zinc/04/49/03/922044903.db2.gz	BLDQSNUEKQWAFZ-RTBURBONSA-N	1	0	354.454	1.554	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@]1(CO)CCCN(Cc2ccccc2)C1	ZINC000733898682	922468154	/nfs/dbraw/zinc/46/81/54/922468154.db2.gz	RWNQPFKLYNCMHR-LEWJYISDSA-N	1	0	372.513	1.658	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)CC1	ZINC001066216771	922609418	/nfs/dbraw/zinc/60/94/18/922609418.db2.gz	FKKFOVLFDKLXNV-AOIWGVFYSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)C[NH+](CC)CC)CC1	ZINC001066217515	922610650	/nfs/dbraw/zinc/61/06/50/922610650.db2.gz	NHIUGQRMQZNJJS-LNLFQRSKSA-N	1	0	365.518	1.807	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3c2ccc(C#N)cn2)CC[N@@H+]1C	ZINC001066202714	922624124	/nfs/dbraw/zinc/62/41/24/922624124.db2.gz	MNKKDTGGVGVFCR-BGTYHANMSA-N	1	0	353.470	1.863	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2cnc(C)o2)C1=O	ZINC001085224345	922907741	/nfs/dbraw/zinc/90/77/41/922907741.db2.gz	ZVHHRKNARCBQCO-BRWVUGGUSA-N	1	0	360.458	1.329	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCCNC2=O)s1	ZINC001085233409	923009142	/nfs/dbraw/zinc/00/91/42/923009142.db2.gz	VVRFLAMQZKPNLY-ARFHVFGLSA-N	1	0	360.483	1.663	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(OCC(N)=O)cc1	ZINC001085265583	923291884	/nfs/dbraw/zinc/29/18/84/923291884.db2.gz	IYQTYYQLFNDRPB-HZPDHXFCSA-N	1	0	365.861	1.934	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1OCC(N)=O	ZINC001085265785	923293130	/nfs/dbraw/zinc/29/31/30/923293130.db2.gz	TYSORNXZBKWGAG-HUUCEWRRSA-N	1	0	365.861	1.934	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(Cc2nc3ccccc3c(=O)n2CC#N)CC1	ZINC000734487619	923381926	/nfs/dbraw/zinc/38/19/26/923381926.db2.gz	TTYHXKUPOSABAD-UHFFFAOYSA-N	1	0	369.469	1.199	20	30		FDEDRO
C=CC[C@@H](NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccncc1	ZINC000734683368	923581629	/nfs/dbraw/zinc/58/16/29/923581629.db2.gz	LKQKZFLCDRNGQL-RTBURBONSA-N	1	0	373.501	1.405	20	30		FDEDRO
C=CC[C@@H](NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccncc1	ZINC000734683367	923582538	/nfs/dbraw/zinc/58/25/38/923582538.db2.gz	LKQKZFLCDRNGQL-RBUKOAKNSA-N	1	0	373.501	1.405	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2[C@@H]3COC[C@@H]32)cc1C#N	ZINC001085302979	923683848	/nfs/dbraw/zinc/68/38/48/923683848.db2.gz	OECBHNCNRCCLHR-LYYGHALDSA-N	1	0	369.465	1.976	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1	ZINC001085330082	923925203	/nfs/dbraw/zinc/92/52/03/923925203.db2.gz	QHVAGMBTMOETME-ZJPYXAASSA-N	1	0	370.453	1.108	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(CC)n1C	ZINC001085335841	923976807	/nfs/dbraw/zinc/97/68/07/923976807.db2.gz	RFXCIZIYLPBFND-FPCVCCKLSA-N	1	0	361.490	1.486	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2nnnn2CC1	ZINC001085339669	924033281	/nfs/dbraw/zinc/03/32/81/924033281.db2.gz	ZDCASVUKHQMGGB-BFHYXJOUSA-N	1	0	352.870	1.395	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C3CC3)n[nH]2)C1=O	ZINC001085342516	924039188	/nfs/dbraw/zinc/03/91/88/924039188.db2.gz	YMWPTTPNZUZMKL-OAGGEKHMSA-N	1	0	371.485	1.705	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cncc(OC)n2)nn1	ZINC001085357426	924187088	/nfs/dbraw/zinc/18/70/88/924187088.db2.gz	VCZHCGVJVALFIC-HUUCEWRRSA-N	1	0	371.445	1.094	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC1	ZINC001066245406	924292241	/nfs/dbraw/zinc/29/22/41/924292241.db2.gz	CDGOIGTVZWTCOY-KURKYZTESA-N	1	0	365.518	1.805	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC1	ZINC001066247054	924353553	/nfs/dbraw/zinc/35/35/53/924353553.db2.gz	FLSGQEPDTBESIJ-LNLFQRSKSA-N	1	0	365.518	1.805	20	30		FDEDRO
CON=C(C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1csc(N)n1	ZINC000822565490	945068438	/nfs/dbraw/zinc/06/84/38/945068438.db2.gz	JOYAEUQHJXTWTC-CQSZACIVSA-N	1	0	373.482	1.714	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H](C)c2nncn2C)nc1	ZINC001085398785	924449636	/nfs/dbraw/zinc/44/96/36/924449636.db2.gz	ZMPIBJCNSLSFIF-NUEKZKHPSA-N	1	0	352.442	1.583	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnn3cc[nH]c23)C1=O	ZINC001085406313	924483237	/nfs/dbraw/zinc/48/32/37/924483237.db2.gz	ZHZXLZKAVNVEQV-BZUAXINKSA-N	1	0	370.457	1.080	20	30		FDEDRO
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H]2CC[N@H+](CCOC)C2)c1	ZINC000736660060	924867671	/nfs/dbraw/zinc/86/76/71/924867671.db2.gz	VMIMWPSLHWHWDK-IRXDYDNUSA-N	1	0	360.458	1.887	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1	ZINC000739915917	925324040	/nfs/dbraw/zinc/32/40/40/925324040.db2.gz	UIHWHPMBMFACJR-MOPGFXCFSA-N	1	0	356.470	1.484	20	30		FDEDRO
C#CCNC(=O)C[N@@H+](CC)C1CCN(c2cc(C)nc(C(C)C)n2)CC1	ZINC000740879330	925481702	/nfs/dbraw/zinc/48/17/02/925481702.db2.gz	INEAYYAVXOXDNF-UHFFFAOYSA-N	1	0	357.502	1.949	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C1CC[NH+](Cc2ccccc2)CC1	ZINC000741331390	925722775	/nfs/dbraw/zinc/72/27/75/925722775.db2.gz	VCRLLKHRHXSNMW-HNNXBMFYSA-N	1	0	373.453	1.842	20	30		FDEDRO
CC[N@@H+]1CCC(N=Nc2ccc(S(=O)(=O)N3CCCC3)cn2)[C@H](C)C1	ZINC000741459502	925775685	/nfs/dbraw/zinc/77/56/85/925775685.db2.gz	BUVVCXMZRVOVCU-CQSZACIVSA-N	1	0	365.503	1.996	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nnc(CC)n2C)C1	ZINC001086089387	925945149	/nfs/dbraw/zinc/94/51/49/925945149.db2.gz	XFZRRTZGFHNKJQ-QXSJWSMHSA-N	1	0	361.490	1.343	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3ccncc3)C2)C1=O	ZINC001086090664	925950834	/nfs/dbraw/zinc/95/08/34/925950834.db2.gz	LMNWNUBBILIDRS-YYTXDEJISA-N	1	0	368.481	1.456	20	30		FDEDRO
Cc1cc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)ccc1-n1cncn1	ZINC000742371001	926041497	/nfs/dbraw/zinc/04/14/97/926041497.db2.gz	DYJHRHKHXANJIW-ISLYRVAYSA-N	1	0	352.398	1.192	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)Cc2nnn(-c3ccccc3)c2C)CC1	ZINC000743491837	926379035	/nfs/dbraw/zinc/37/90/35/926379035.db2.gz	MZAYFFCOVVQOSA-UHFFFAOYSA-N	1	0	351.454	1.722	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CCCNC(=O)c2ccc(OC)cc2)CC1	ZINC000743493075	926379096	/nfs/dbraw/zinc/37/90/96/926379096.db2.gz	GWOMXHNOXGUHCW-UHFFFAOYSA-N	1	0	371.481	1.809	20	30		FDEDRO
N#CCOc1ccccc1C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000743765206	926463588	/nfs/dbraw/zinc/46/35/88/926463588.db2.gz	FWWFFDHWXIERAT-OAQYLSRUSA-N	1	0	365.433	1.956	20	30		FDEDRO
CCCc1noc(CO[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)n1	ZINC000744442951	926686666	/nfs/dbraw/zinc/68/66/66/926686666.db2.gz	OLQYYNAYIIDTQX-UHFFFAOYSA-N	1	0	359.430	1.820	20	30		FDEDRO
COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@]34C[C@H]3COC4)C2)cc1C#N	ZINC001086371973	926894764	/nfs/dbraw/zinc/89/47/64/926894764.db2.gz	JDPLCAAGSFPVQC-VERUCKTNSA-N	1	0	355.438	1.588	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)O1	ZINC001086400745	927058942	/nfs/dbraw/zinc/05/89/42/927058942.db2.gz	VOAGGGHFYYTZKZ-UTRMSSBJSA-N	1	0	356.470	1.262	20	30		FDEDRO
C=CCc1cc(CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)cc(OC)c1OC	ZINC000923603001	927070804	/nfs/dbraw/zinc/07/08/04/927070804.db2.gz	WEBBKCWUMWROQX-OAHLLOKOSA-N	1	0	354.472	1.604	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@]1(C)C[N@H+](CCCOC)CCO1	ZINC001108271536	927079401	/nfs/dbraw/zinc/07/94/01/927079401.db2.gz	YNTHDVRXSUTWJM-LNLFQRSKSA-N	1	0	354.491	1.601	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(C#N)c[nH]2)C1	ZINC001006304887	927136128	/nfs/dbraw/zinc/13/61/28/927136128.db2.gz	SXVKSQSNLXMXMH-INMHGKMJSA-N	1	0	369.469	1.480	20	30		FDEDRO
C#CCN(CC#CC)C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1	ZINC000745456201	927255575	/nfs/dbraw/zinc/25/55/75/927255575.db2.gz	RXTBFAUXELVYFX-UHFFFAOYSA-N	1	0	352.482	1.602	20	30		FDEDRO
C#CCN(CC#CC)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000745798469	927419421	/nfs/dbraw/zinc/41/94/21/927419421.db2.gz	CQQIPEXSVBPOHD-FQEVSTJZSA-N	1	0	352.482	1.643	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(C(N)=O)c2)C1	ZINC001086481658	927521565	/nfs/dbraw/zinc/52/15/65/927521565.db2.gz	QSLFRACEFXUUPW-DDBAPUKQSA-N	1	0	357.454	1.361	20	30		FDEDRO
C[NH+](C)Cc1cccc(CNC(=O)CCNC(=O)C2N=CC=CC2=O)c1	ZINC000746113029	927620838	/nfs/dbraw/zinc/62/08/38/927620838.db2.gz	JWXGEGRGNHATRW-HNENSFHCSA-N	1	0	356.426	1.281	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1	ZINC000746317675	927823792	/nfs/dbraw/zinc/82/37/92/927823792.db2.gz	NXIOUZKGRSCPTA-FQEVSTJZSA-N	1	0	353.397	1.951	20	30		FDEDRO
CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)c1ccsc1	ZINC000746354277	927902891	/nfs/dbraw/zinc/90/28/91/927902891.db2.gz	QZWZSDVEAPWXIS-HNNXBMFYSA-N	1	0	374.470	1.606	20	30		FDEDRO
CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)Nc1cnn(CC#N)c1	ZINC000746354269	927902933	/nfs/dbraw/zinc/90/29/33/927902933.db2.gz	QSOSDJSCJTYETI-UHFFFAOYSA-N	1	0	368.441	1.502	20	30		FDEDRO
C=CCN1CCC[C@@H]([NH2+][C@@H]2CCN(Cc3ccc(OC)cc3)C(=O)C2)C1=O	ZINC001168910230	928177509	/nfs/dbraw/zinc/17/75/09/928177509.db2.gz	UKHIYLKAZGQZQP-IEBWSBKVSA-N	1	0	371.481	1.953	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(CC)nn2C)[C@@H](n2ccnn2)C1	ZINC001129337547	928767218	/nfs/dbraw/zinc/76/72/18/928767218.db2.gz	MNLQEDCNGVYNRY-LESCRADOSA-N	1	0	371.489	1.584	20	30		FDEDRO
COc1ccc(C(=Nc2ccc(C(=O)N3CC[NH2+]CC3)cc2)NO)nc1	ZINC001169608192	928786654	/nfs/dbraw/zinc/78/66/54/928786654.db2.gz	HXNDYZKUZOLMLR-UHFFFAOYSA-N	1	0	355.398	1.193	20	30		FDEDRO
CCC[C@H]1CN(C(=O)NCCNc2ccc(C#N)cn2)CC[N@@H+]1CCOC	ZINC000766762977	928792638	/nfs/dbraw/zinc/79/26/38/928792638.db2.gz	STSKNVPCWSYOEK-KRWDZBQOSA-N	1	0	374.489	1.507	20	30		FDEDRO
C=CCCC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3C[C@H]3c3ccco3)CC2=O)C1	ZINC001108578001	928950148	/nfs/dbraw/zinc/95/01/48/928950148.db2.gz	SWJNRHIVHBWORV-DJIMGWMZSA-N	1	0	357.454	1.751	20	30		FDEDRO
C#CCNC(=O)CN1CC[NH+](CCCC(=O)Nc2c(C)cccc2C)CC1	ZINC000766873565	928954640	/nfs/dbraw/zinc/95/46/40/928954640.db2.gz	UNOTYEQYIYQOID-UHFFFAOYSA-N	1	0	370.497	1.389	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CCc2scnc2C)[C@@H](n2ccnn2)C1	ZINC001129353555	929012157	/nfs/dbraw/zinc/01/21/57/929012157.db2.gz	UYYGHXJXTYHLII-CABCVRRESA-N	1	0	358.471	1.041	20	30		FDEDRO
CC(CC[NH+](C)C)N=Nc1ccccc1S(=O)(=O)N1CCOCC1	ZINC000767381478	929255470	/nfs/dbraw/zinc/25/54/70/929255470.db2.gz	XZPJKWXDEGQWTK-UHFFFAOYSA-N	1	0	354.476	1.447	20	30		FDEDRO
C#C[C@H](C)N(C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-]	ZINC000767440959	929266236	/nfs/dbraw/zinc/26/62/36/929266236.db2.gz	XTLKDUZXDXKFTO-ZDUSSCGKSA-N	1	0	368.459	1.283	20	30		FDEDRO
COC(=O)n1ncc(C#N)c1Nc1ccc([C@H]2CC3(C[NH2+]C3)C(=O)N2)cc1	ZINC001169971376	929542758	/nfs/dbraw/zinc/54/27/58/929542758.db2.gz	XCRVODMLCQVCMG-CQSZACIVSA-N	1	0	366.381	1.263	20	30		FDEDRO
C[NH+](C)CCCNC(=S)NN=Cc1cc(O)ccc1Br	ZINC000769790874	929678563	/nfs/dbraw/zinc/67/85/63/929678563.db2.gz	DWBSCIVEWXOANN-UHFFFAOYSA-N	1	0	359.293	1.904	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(Cn3ccnn3)o1)C2	ZINC001109546135	929744058	/nfs/dbraw/zinc/74/40/58/929744058.db2.gz	UVWXHTJQPRPEJW-PVAVHDDUSA-N	1	0	371.441	1.457	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COCCN1CCCC)C2	ZINC001109560542	929762266	/nfs/dbraw/zinc/76/22/66/929762266.db2.gz	GNXZQRGDEOTGKK-XWSJACJDSA-N	1	0	365.518	1.411	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1cnn(C)c1	ZINC001109566603	929793831	/nfs/dbraw/zinc/79/38/31/929793831.db2.gz	KMOSAHZVXPVYAZ-DOADOZAASA-N	1	0	360.502	1.913	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCC1=O	ZINC001109566827	929794467	/nfs/dbraw/zinc/79/44/67/929794467.db2.gz	UOQCKSLCOLEHDL-NHAYFPRASA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)c1nccn2c(Br)cnc12	ZINC000770124047	929871000	/nfs/dbraw/zinc/87/10/00/929871000.db2.gz	HTGXSAJJADZSHK-LLVKDONJSA-N	1	0	363.215	1.746	20	30		FDEDRO
CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@@H](C)C(=O)NC(=O)NC1CC1	ZINC001109625127	929944781	/nfs/dbraw/zinc/94/47/81/929944781.db2.gz	QJDYZOJGFPBXPT-ORQFMDKSSA-N	1	0	374.485	1.278	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1C(=O)CNC1=O	ZINC001109634047	929953416	/nfs/dbraw/zinc/95/34/16/929953416.db2.gz	AYVWWBRZKANRLL-FZKCQIBNSA-N	1	0	362.474	1.252	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O	ZINC000770804101	930266466	/nfs/dbraw/zinc/26/64/66/930266466.db2.gz	AQGHCQSDAPQJIK-GJZGRUSLSA-N	1	0	363.458	1.516	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCOCC	ZINC001109806160	930467078	/nfs/dbraw/zinc/46/70/78/930467078.db2.gz	QBLODEAPUKHJRD-XDNAFOTISA-N	1	0	351.491	1.605	20	30		FDEDRO
N#CCC(=O)Nc1nc2ccccc2nc1-n1nnc2ccc(C[NH3+])cc21	ZINC001170022686	930473457	/nfs/dbraw/zinc/47/34/57/930473457.db2.gz	XRAPYJQFLFRQIT-UHFFFAOYSA-N	1	0	358.365	1.675	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCN(C)S1(=O)=O)C2	ZINC001109823345	930545737	/nfs/dbraw/zinc/54/57/37/930545737.db2.gz	WNZWUQWIBUOQBA-LTIDMASMSA-N	1	0	369.531	1.488	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn3cccc(OC)c13)C2	ZINC001109849122	930590483	/nfs/dbraw/zinc/59/04/83/930590483.db2.gz	DHEQQUBAZKVXPA-PVAVHDDUSA-N	1	0	370.453	1.881	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CC(=O)NC1=O)C2	ZINC001109855238	930605532	/nfs/dbraw/zinc/60/55/32/930605532.db2.gz	UXDALYWFCUYLIW-ILXRZTDVSA-N	1	0	350.463	1.230	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1	ZINC000771444379	930680645	/nfs/dbraw/zinc/68/06/45/930680645.db2.gz	RMXAQFHKASMKGJ-OAHLLOKOSA-N	1	0	352.479	1.937	20	30		FDEDRO
C[NH+]1CCN(c2ccc(C=NNS(=O)(=O)Cc3ccccc3)cc2)CC1	ZINC000771563637	930744333	/nfs/dbraw/zinc/74/43/33/930744333.db2.gz	NJQMNFRGMYAOIE-UHFFFAOYSA-N	1	0	372.494	1.892	20	30		FDEDRO
C#CC[NH2+]CC(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1	ZINC000746512973	930862076	/nfs/dbraw/zinc/86/20/76/930862076.db2.gz	BWIWUDSHDZOHMN-UHFFFAOYSA-N	1	0	353.344	1.213	20	30		FDEDRO
O=C(C[NH2+][C@H](CCO)C1CC1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000771795845	930892986	/nfs/dbraw/zinc/89/29/86/930892986.db2.gz	LZKNSGMBJQHLKL-MRXNPFEDSA-N	1	0	354.372	1.924	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCOCC	ZINC001109996847	930990599	/nfs/dbraw/zinc/99/05/99/930990599.db2.gz	VRPVVRDBNVCIQY-NJAFHUGGSA-N	1	0	357.454	1.855	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)CC1	ZINC000772114149	931081917	/nfs/dbraw/zinc/08/19/17/931081917.db2.gz	KZJSJFKCLUBOIK-OAHLLOKOSA-N	1	0	357.454	1.968	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)CC1	ZINC000772114458	931082021	/nfs/dbraw/zinc/08/20/21/931082021.db2.gz	NYYUBACNVNGLMF-UHFFFAOYSA-N	1	0	358.482	1.960	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)N(C)Cc2ccc(OC)cc2)CC1	ZINC000772120576	931086873	/nfs/dbraw/zinc/08/68/73/931086873.db2.gz	KRJVOWKCJNSELE-UHFFFAOYSA-N	1	0	358.438	1.542	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CCN1C1CC1	ZINC000772621049	931383137	/nfs/dbraw/zinc/38/31/37/931383137.db2.gz	YADQMMTXCKPIKO-LJQANCHMSA-N	1	0	368.485	1.680	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(CNC(C)=O)o1)C2	ZINC001112547055	931442488	/nfs/dbraw/zinc/44/24/88/931442488.db2.gz	RSJSQGASKIHANQ-JXFKEZNVSA-N	1	0	357.454	1.771	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CC(=O)NC(=O)C1)C2	ZINC001112545233	931454260	/nfs/dbraw/zinc/45/42/60/931454260.db2.gz	WVVIILNQOMTKNC-IIMJZQEZSA-N	1	0	361.486	1.612	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1coc(COC)n1)C2	ZINC001112554573	931520252	/nfs/dbraw/zinc/52/02/52/931520252.db2.gz	YPDGAIDWVMSZAN-KXBFYZLASA-N	1	0	363.458	1.856	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn([C@H]3CCOC3)nn1)C2	ZINC001112558964	931583033	/nfs/dbraw/zinc/58/30/33/931583033.db2.gz	FJFXHKAZIGZMLO-BXWFABGCSA-N	1	0	359.474	1.648	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CS(=O)(=O)C(C)(C)C)C2	ZINC001112564197	931606930	/nfs/dbraw/zinc/60/69/30/931606930.db2.gz	IRQICTULNUDDAI-YJBOKZPZSA-N	1	0	356.532	1.994	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(C(=O)NC)nc1)C2	ZINC001112564607	931608554	/nfs/dbraw/zinc/60/85/54/931608554.db2.gz	FDSZPOVVDIBTFS-JXFKEZNVSA-N	1	0	354.454	1.296	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@@H](C)O)C1	ZINC001112564958	931610693	/nfs/dbraw/zinc/61/06/93/931610693.db2.gz	BLRUQQCNTQJDCK-GUXCAODWSA-N	1	0	357.454	1.306	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@@H](C)OC)C1	ZINC001112565205	931610853	/nfs/dbraw/zinc/61/08/53/931610853.db2.gz	PBBUUCODXVHYFD-WWMYMODYSA-N	1	0	371.481	1.960	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](CCC)NC(N)=O)C2	ZINC001112570441	931650639	/nfs/dbraw/zinc/65/06/39/931650639.db2.gz	XRWAAZWCPXZISQ-VBQJREDUSA-N	1	0	356.898	1.794	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CO[C@@H](C)c1nccn1C)C2	ZINC001112570802	931652446	/nfs/dbraw/zinc/65/24/46/931652446.db2.gz	PSYHHGXBVUFIIF-ZWOKBUDYSA-N	1	0	358.486	1.739	20	30		FDEDRO
Cc1ccccc1[C@@H]([C@@H](C)NC(=O)C(=O)Nc1cnn(CC#N)c1)[NH+](C)C	ZINC000786025427	931692744	/nfs/dbraw/zinc/69/27/44/931692744.db2.gz	MWUVJYYHIQHKDH-RHSMWYFYSA-N	1	0	368.441	1.461	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1nccnc1C(N)=O)C2	ZINC001112575731	931704868	/nfs/dbraw/zinc/70/48/68/931704868.db2.gz	ZLLCKDWOBVRFOW-AVYPCKFXSA-N	1	0	371.485	1.762	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc(-n3cnnn3)c1)C2	ZINC001112576296	931713040	/nfs/dbraw/zinc/71/30/40/931713040.db2.gz	FWJDDGCVQHTCGQ-LPHOPBHVSA-N	1	0	352.442	1.680	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c(C)nc(C)[nH]c1=O)C2	ZINC001112578137	931731360	/nfs/dbraw/zinc/73/13/60/931731360.db2.gz	ZPAYGFDUPNDNMD-JXFKEZNVSA-N	1	0	356.470	1.583	20	30		FDEDRO
C[C@@H](OC(=O)c1ccc(C#N)[nH]1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000786093550	931746611	/nfs/dbraw/zinc/74/66/11/931746611.db2.gz	YBPFZJPGYTUKLB-PBHICJAKSA-N	1	0	366.421	1.822	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CC1([NH+]2CCOCC2)CCCC1	ZINC000786097738	931748717	/nfs/dbraw/zinc/74/87/17/931748717.db2.gz	YYVAVIPMVHMKGT-GOSISDBHSA-N	1	0	365.474	1.619	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CS(=O)(=O)CC)C2	ZINC001112585879	931768150	/nfs/dbraw/zinc/76/81/50/931768150.db2.gz	WWLHIWFCQFUSII-BQFCYCMXSA-N	1	0	356.532	1.994	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC(=O)N(C)C1)C2	ZINC001112586899	931778782	/nfs/dbraw/zinc/77/87/82/931778782.db2.gz	VUUMNOFXHOBIAG-MPGHIAIKSA-N	1	0	353.894	1.826	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)CS(C)(=O)=O)C2	ZINC001112587016	931781692	/nfs/dbraw/zinc/78/16/92/931781692.db2.gz	BFDXQADSWNAJOA-RYRKJORJSA-N	1	0	356.532	1.852	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1cnn(C)c1)C2	ZINC001112584112	931782296	/nfs/dbraw/zinc/78/22/96/931782296.db2.gz	AXZMYWSRXXXLJT-ICSRJNTNSA-N	1	0	358.486	1.221	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)c2nnc(C)[nH]2)C1	ZINC001112589028	931802274	/nfs/dbraw/zinc/80/22/74/931802274.db2.gz	HTVRDWQZJIPMNT-QOKNQOGYSA-N	1	0	361.490	1.985	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)c2nncn2C)C1	ZINC001112589267	931802492	/nfs/dbraw/zinc/80/24/92/931802492.db2.gz	RRDPUSRADBBRPJ-GJYPPUQNSA-N	1	0	361.490	1.687	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCNC(=O)[C@@H]1CCCO1)C2	ZINC001112592487	931829160	/nfs/dbraw/zinc/82/91/60/931829160.db2.gz	RNKQHCHDJILVDO-ZWOKBUDYSA-N	1	0	363.502	1.466	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1nnn(Cc2noc(C)n2)c1C	ZINC000786468665	931921497	/nfs/dbraw/zinc/92/14/97/931921497.db2.gz	ZFVKAPVOMJHTBB-GFCCVEGCSA-N	1	0	360.418	1.217	20	30		FDEDRO
N#CCc1ccc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)nc1	ZINC001170067457	932154846	/nfs/dbraw/zinc/15/48/46/932154846.db2.gz	VUTYLNNSVULOGE-UHFFFAOYSA-N	1	0	367.434	1.850	20	30		FDEDRO
Cc1cc(C#N)nc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)n1	ZINC001170070355	932218321	/nfs/dbraw/zinc/21/83/21/932218321.db2.gz	AJNJAWXRNHHKSE-UHFFFAOYSA-N	1	0	368.422	1.359	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NCc1cccc(C[NH+](CC)CC)c1)[C@H]1CCCO1	ZINC000787287895	932244446	/nfs/dbraw/zinc/24/44/46/932244446.db2.gz	GZVRJQJQMBCZRF-RBUKOAKNSA-N	1	0	371.481	1.442	20	30		FDEDRO
CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NCc1cccc(C#N)c1	ZINC000787341569	932269539	/nfs/dbraw/zinc/26/95/39/932269539.db2.gz	CRMUVNKGNUETOP-UHFFFAOYSA-N	1	0	364.449	1.895	20	30		FDEDRO
Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+](C)[C@@H](C)CN1CCOCC1	ZINC000788375609	932680577	/nfs/dbraw/zinc/68/05/77/932680577.db2.gz	AASPJVMGGUCPPE-HNNXBMFYSA-N	1	0	354.458	1.735	20	30		FDEDRO
CCOC(=O)c1cnc(N=NC2CC[NH+](CCC(=O)OC)CC2)nc1C	ZINC000788726440	932794334	/nfs/dbraw/zinc/79/43/34/932794334.db2.gz	VSGJQGIBSIVHIR-UHFFFAOYSA-N	1	0	363.418	1.389	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)c2ccc(C[NH+](C)C)cc2)n1	ZINC000790106142	933355163	/nfs/dbraw/zinc/35/51/63/933355163.db2.gz	SPAWECWEEGNCOG-UHFFFAOYSA-N	1	0	354.454	1.867	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)c2cccc(N3CC[NH+](C)CC3)n2)n1	ZINC000790119136	933383706	/nfs/dbraw/zinc/38/37/06/933383706.db2.gz	NCOBAPGGLCNGEZ-UHFFFAOYSA-N	1	0	366.469	1.325	20	30		FDEDRO
Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@H](N2CCCC2=O)C1	ZINC000790460403	933545022	/nfs/dbraw/zinc/54/50/22/933545022.db2.gz	PILDTPDUYKCUOM-KRWDZBQOSA-N	1	0	350.426	1.779	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2cn(CC)nn2)C1	ZINC001086601045	934118587	/nfs/dbraw/zinc/11/85/87/934118587.db2.gz	CZAHUWPLCCOHGL-RBUKOAKNSA-N	1	0	351.454	1.448	20	30		FDEDRO
C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C1	ZINC001086602625	934158312	/nfs/dbraw/zinc/15/83/12/934158312.db2.gz	KJWXYDLSPBABBU-ZWKOTPCHSA-N	1	0	364.449	1.228	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC[C@H](c1ccco1)[NH+](CC)CC)[C@H]1CCCO1	ZINC000793847953	938323666	/nfs/dbraw/zinc/32/36/66/938323666.db2.gz	PYQJICHRFHZZBJ-ARFHVFGLSA-N	1	0	361.442	1.076	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2c(C)nn(C)c2F)[C@@H](n2ccnn2)C1	ZINC001129407261	938404747	/nfs/dbraw/zinc/40/47/47/938404747.db2.gz	KIYHPYIBLYLHSJ-KGLIPLIRSA-N	1	0	361.425	1.081	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)C2(CC=C)CCOCC2)[C@@H](n2ccnn2)C1	ZINC001129412462	938408109	/nfs/dbraw/zinc/40/81/09/938408109.db2.gz	SGNIWABHAWWLNH-SJORKVTESA-N	1	0	357.458	1.016	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccc(N(C)C)cc2)[C@@H](n2ccnn2)C1	ZINC001129400417	938415095	/nfs/dbraw/zinc/41/50/95/938415095.db2.gz	NCGHFRZVDGFHGI-MOPGFXCFSA-N	1	0	368.485	1.966	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cccc(OC)c2)[C@@H](n2ccnn2)C1	ZINC001129400565	938416001	/nfs/dbraw/zinc/41/60/01/938416001.db2.gz	SLLZXQCZUZMGMB-MSOLQXFVSA-N	1	0	355.442	1.908	20	30		FDEDRO
C=C[C@H](C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1n1ccnn1)c1ccccc1	ZINC001129448829	938419171	/nfs/dbraw/zinc/41/91/71/938419171.db2.gz	AIZCASCMOQNXTG-OTWHNJEPSA-N	1	0	351.454	1.999	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)COCc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129437952	938425104	/nfs/dbraw/zinc/42/51/04/938425104.db2.gz	KMLVGMFWWLFRCH-MOPGFXCFSA-N	1	0	369.469	1.803	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](NC(=O)COCc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129438358	938425659	/nfs/dbraw/zinc/42/56/59/938425659.db2.gz	STVHEYARYYMGOE-MSOLQXFVSA-N	1	0	355.442	1.413	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCOCCOC)[C@@H](n2ccnn2)C1	ZINC001129480715	938433873	/nfs/dbraw/zinc/43/38/73/938433873.db2.gz	BABPZZLRZJBQSN-ZACQAIPSSA-N	1	0	365.478	1.027	20	30		FDEDRO
CCCC(=O)N1C[C@@H]([NH2+]CC#Cc2ccc(F)cc2)[C@@H](n2ccnn2)C1	ZINC001129521389	938449537	/nfs/dbraw/zinc/44/95/37/938449537.db2.gz	DUJKOKSMOSHUJI-MSOLQXFVSA-N	1	0	355.417	1.611	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001129568899	938457972	/nfs/dbraw/zinc/45/79/72/938457972.db2.gz	LTZRRJCBJXBPGZ-MSOLQXFVSA-N	1	0	355.442	1.444	20	30		FDEDRO
CS[C@@H](C)C(=O)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129603960	938462865	/nfs/dbraw/zinc/46/28/65/938462865.db2.gz	RHFAAVQHGCPCDP-JQHSSLGASA-N	1	0	369.494	1.423	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnn(CC)c2)C[C@@H]1n1ccnn1	ZINC001129699109	938488146	/nfs/dbraw/zinc/48/81/46/938488146.db2.gz	HYYQXSRHUUVLRW-OIISXLGYSA-N	1	0	357.462	1.505	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]([NH2+]Cc2cc(C)cc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129677317	938490786	/nfs/dbraw/zinc/49/07/86/938490786.db2.gz	DPUQTPYQKOMDAJ-MOPGFXCFSA-N	1	0	369.469	1.639	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ncccc2C)C[C@@H]1n1ccnn1	ZINC001129723432	938494224	/nfs/dbraw/zinc/49/42/24/938494224.db2.gz	GGPATSMAAWVIBO-ZACQAIPSSA-N	1	0	354.458	1.992	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H]([NH2+]CC[C@@H](C)F)[C@@H](n2ccnn2)C1	ZINC001129732562	938496270	/nfs/dbraw/zinc/49/62/70/938496270.db2.gz	AZHUCNOSSADEFX-OAGGEKHMSA-N	1	0	353.442	1.351	20	30		FDEDRO
CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1n1ccnn1	ZINC001129762469	938503330	/nfs/dbraw/zinc/50/33/30/938503330.db2.gz	MEPUSGOLJFGBHE-KKSLTYSGSA-N	1	0	367.457	1.880	20	30		FDEDRO
CC(C)C[C@@H](C)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1n1ccnn1	ZINC001129763188	938503337	/nfs/dbraw/zinc/50/33/37/938503337.db2.gz	XGHCKXRZBXWJBR-OLMNPRSZSA-N	1	0	369.473	1.815	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H]([NH2+]CC2CCCCC2)[C@@H](n2ccnn2)C1	ZINC001129796042	938509270	/nfs/dbraw/zinc/50/92/70/938509270.db2.gz	YUCJMMAIYZHTGK-AOIWGVFYSA-N	1	0	361.490	1.527	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H](OC)C2CC2)C[C@@H]1n1ccnn1	ZINC001129788227	938516303	/nfs/dbraw/zinc/51/63/03/938516303.db2.gz	IUFFFZYOGIBUHU-FGTMMUONSA-N	1	0	361.490	1.791	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H]([NH2+]CC/C=C/CCC)[C@@H](n2ccnn2)C1	ZINC001129837455	938534611	/nfs/dbraw/zinc/53/46/11/938534611.db2.gz	DTEYFMUOWDHOGX-IBQUMJASSA-N	1	0	359.474	1.406	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H]([NH2+]CCOCC(F)F)[C@@H](n2ccnn2)C1	ZINC001129879263	938536506	/nfs/dbraw/zinc/53/65/06/938536506.db2.gz	ZTNKYVUJKPGQHE-KGLIPLIRSA-N	1	0	357.405	1.258	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1)OCC	ZINC001129879171	938536558	/nfs/dbraw/zinc/53/65/58/938536558.db2.gz	VRTIDJLZTGRVGG-OWCLPIDISA-N	1	0	353.442	1.351	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H]([NH2+]CCC2CCOCC2)[C@@H](n2ccnn2)C1	ZINC001129879229	938536570	/nfs/dbraw/zinc/53/65/70/938536570.db2.gz	YCGHHEPLVCKKQQ-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCOc2cc(C)cc(C)c2)C[C@@H]1n1ccnn1	ZINC001129884005	938538472	/nfs/dbraw/zinc/53/84/72/938538472.db2.gz	FQQLUKDMENFSSW-MOPGFXCFSA-N	1	0	367.453	1.339	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COCc2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001129887512	938540083	/nfs/dbraw/zinc/54/00/83/938540083.db2.gz	CNIUUMYXYHVJDR-MOPGFXCFSA-N	1	0	367.453	1.168	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CC2(c3ccccc3)CC2)C[C@@H]1n1ccnn1	ZINC001129887661	938540320	/nfs/dbraw/zinc/54/03/20/938540320.db2.gz	KVQMCMDCXHADOZ-MOPGFXCFSA-N	1	0	363.465	1.765	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CC2(c3ccccc3)CC2)C[C@@H]1n1ccnn1	ZINC001129892420	938543605	/nfs/dbraw/zinc/54/36/05/938543605.db2.gz	WMFHXZNHPQVZAE-MOPGFXCFSA-N	1	0	363.465	1.765	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H]([NH2+]Cc2cncn2C)[C@@H](n2ccnn2)C1	ZINC001129867207	938543864	/nfs/dbraw/zinc/54/38/64/938543864.db2.gz	PEEJPEHVRJVKHK-MSOLQXFVSA-N	1	0	369.473	1.322	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(CCC)s2)C[C@@H]1n1ccnn1	ZINC001129874395	938545735	/nfs/dbraw/zinc/54/57/35/938545735.db2.gz	CEHYSWHSKRPETP-CVEARBPZSA-N	1	0	357.483	1.971	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc(C(N)=O)n2)C1	ZINC001086625898	938551192	/nfs/dbraw/zinc/55/11/92/938551192.db2.gz	HBASNPBIHDMETO-MAUKXSAKSA-N	1	0	350.422	1.564	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H]([NH2+]C[C@@H]3CCCCO3)[C@@H](n3ccnn3)C2)CCC1	ZINC001129894382	938555586	/nfs/dbraw/zinc/55/55/86/938555586.db2.gz	DLAONIBEQQEQFY-KSZLIROESA-N	1	0	371.485	1.382	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc3c2O[C@H](C)C3)C[C@@H]1n1ccnn1	ZINC001129936621	938563711	/nfs/dbraw/zinc/56/37/11/938563711.db2.gz	HTKNGQQRRORHNR-OLMNPRSZSA-N	1	0	365.437	1.280	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)onc2C2CC2)C[C@@H]1n1ccnn1	ZINC001129936494	938563773	/nfs/dbraw/zinc/56/37/73/938563773.db2.gz	AVPFMXSPZKMHDS-CABCVRRESA-N	1	0	354.414	1.131	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3cncn3C2)C[C@@H]1n1ccnn1	ZINC001129919170	938567583	/nfs/dbraw/zinc/56/75/83/938567583.db2.gz	PIOWIYZAQMYMMZ-NXHRZFHOSA-N	1	0	369.473	1.045	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCOCC(F)(F)F)C[C@@H]1n1ccnn1	ZINC001129923434	938569270	/nfs/dbraw/zinc/56/92/70/938569270.db2.gz	BXTSWKSUPQITGJ-OLZOCXBDSA-N	1	0	361.368	1.165	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccnc(C3CC3)c2)C[C@@H]1n1ccnn1	ZINC001129923658	938569497	/nfs/dbraw/zinc/56/94/97/938569497.db2.gz	OWPODOJOWIMNGD-MSOLQXFVSA-N	1	0	350.426	1.229	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2noc3ccccc23)C[C@@H]1n1ccnn1	ZINC001129928577	938571997	/nfs/dbraw/zinc/57/19/97/938571997.db2.gz	ADOYUAGVCWVAHD-SJORKVTESA-N	1	0	364.409	1.027	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2cccc(C)c2Cl)C[C@@H]1n1ccnn1	ZINC001129930631	938573136	/nfs/dbraw/zinc/57/31/36/938573136.db2.gz	OJPJXWCMZXOOFL-SJORKVTESA-N	1	0	371.872	1.847	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)(C)C)on2)C[C@@H]1n1ccnn1	ZINC001129930494	938573141	/nfs/dbraw/zinc/57/31/41/938573141.db2.gz	JOAOXFWAQGAICM-CABCVRRESA-N	1	0	358.446	1.795	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCc2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001129948994	938573806	/nfs/dbraw/zinc/57/38/06/938573806.db2.gz	JSPVRIHJCZBHCW-UHOSZYNNSA-N	1	0	367.453	1.167	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]CCCCOC)[C@@H](n3ccnn3)C2)cc1	ZINC001129954651	938576648	/nfs/dbraw/zinc/57/66/48/938576648.db2.gz	YGRCGSICXBQTCB-MOPGFXCFSA-N	1	0	367.453	1.341	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H]([NH2+]CCOCC2CC2)[C@@H](n2ccnn2)C1	ZINC001129977856	938593050	/nfs/dbraw/zinc/59/30/50/938593050.db2.gz	IEFHPUIYURHKOL-NXHRZFHOSA-N	1	0	361.490	1.649	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3ccccc32)C[C@@H]1n1ccnn1	ZINC001129982279	938597198	/nfs/dbraw/zinc/59/71/98/938597198.db2.gz	CHQZTHGCBJJYLI-OTWHNJEPSA-N	1	0	367.453	1.162	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](CCC)c2ccccn2)C[C@@H]1n1ccnn1	ZINC001129982417	938597297	/nfs/dbraw/zinc/59/72/97/938597297.db2.gz	FTCXOVQOLHZYSM-NXHRZFHOSA-N	1	0	354.458	1.785	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCOCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001129982648	938597495	/nfs/dbraw/zinc/59/74/95/938597495.db2.gz	GXBFYHMYJOHIMB-MOPGFXCFSA-N	1	0	369.469	1.803	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H]([NH2+]CCc2ccnn2C)[C@@H](n2ccnn2)C1	ZINC001129976785	938601420	/nfs/dbraw/zinc/60/14/20/938601420.db2.gz	YWQSNBJSEKACFX-JQHSSLGASA-N	1	0	371.489	1.198	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2(CC=C)CCC2)C[C@@H]1n1ccnn1	ZINC001129994402	938603172	/nfs/dbraw/zinc/60/31/72/938603172.db2.gz	LYQGCISVROKROY-SJORKVTESA-N	1	0	359.474	1.569	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H]([NH2+]C[C@H](CC)OC)[C@@H](n3ccnn3)C2)CC1	ZINC001129994465	938603273	/nfs/dbraw/zinc/60/32/73/938603273.db2.gz	PPFNUXNTVSKBMN-KSZLIROESA-N	1	0	361.490	1.791	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H]([NH2+]CCOCC(F)F)[C@@H](n2ccnn2)C1	ZINC001129995787	938604366	/nfs/dbraw/zinc/60/43/66/938604366.db2.gz	JCPQOFZIQZUKKC-JKIFEVAISA-N	1	0	371.432	1.504	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H]([NH2+]CCC[C@@H](C)O)[C@@H](n3ccnn3)C2)CC1	ZINC001129999256	938606831	/nfs/dbraw/zinc/60/68/31/938606831.db2.gz	SRQHPRGLZDMZFT-ZACQAIPSSA-N	1	0	361.490	1.527	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]([NH2+]CCC[C@@H]2CCOC2)[C@@H](n2ccnn2)C1	ZINC001129986612	938610086	/nfs/dbraw/zinc/61/00/86/938610086.db2.gz	GPCKBMSTKUKRDL-KURKYZTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]([NH2+]CC2CC(OCC)C2)[C@@H](n2ccnn2)C1	ZINC001129987016	938610265	/nfs/dbraw/zinc/61/02/65/938610265.db2.gz	UWGADXJFONJIGV-HIEASXQVSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2conc2C)C[C@@H]1n1ccnn1	ZINC001129988416	938611237	/nfs/dbraw/zinc/61/12/37/938611237.db2.gz	PLBLMJCLRHAXGY-SJORKVTESA-N	1	0	358.446	1.976	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(F)cc(F)cc2F)C[C@@H]1n1ccnn1	ZINC001129990230	938612558	/nfs/dbraw/zinc/61/25/58/938612558.db2.gz	SNHHJRRVLNUNQY-CABCVRRESA-N	1	0	363.343	1.374	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc(F)c2Cl)C[C@@H]1n1ccnn1	ZINC001130017483	938617755	/nfs/dbraw/zinc/61/77/55/938617755.db2.gz	KIXHHYXSCOJEBK-CABCVRRESA-N	1	0	361.808	1.749	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2[C@H]3CCCCCC[C@H]23)C[C@@H]1n1ccnn1	ZINC001130017549	938618026	/nfs/dbraw/zinc/61/80/26/938618026.db2.gz	MTHLTYLZOZSPEA-FJIDUMEYSA-N	1	0	355.486	1.859	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)C[C@@H]1n1ccnn1	ZINC001130020350	938619180	/nfs/dbraw/zinc/61/91/80/938619180.db2.gz	BPMXVNMPKIOOGA-XWIAVFTESA-N	1	0	369.473	1.889	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(F)c(COC)c2)C[C@@H]1n1ccnn1	ZINC001130005799	938622970	/nfs/dbraw/zinc/62/29/70/938622970.db2.gz	HNVYWHVUOWVYSS-MSOLQXFVSA-N	1	0	371.416	1.242	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ocnc2C(F)F)C[C@@H]1n1ccnn1	ZINC001130007796	938625245	/nfs/dbraw/zinc/62/52/45/938625245.db2.gz	UTRXVJXRXVEMSL-NEPJUHHUSA-N	1	0	366.372	1.825	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2cccs2)C[C@@H]1n1ccnn1	ZINC001130026150	938629087	/nfs/dbraw/zinc/62/90/87/938629087.db2.gz	CUICFZKFWVGFLO-UAGQMJEPSA-N	1	0	357.483	1.583	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnc(C3CC3)nc2)C[C@@H]1n1ccnn1	ZINC001130028540	938631085	/nfs/dbraw/zinc/63/10/85/938631085.db2.gz	VTLXNHFRBSKZMG-SJORKVTESA-N	1	0	367.457	1.567	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(Cl)s2)C[C@@H]1n1ccnn1	ZINC001130030758	938632215	/nfs/dbraw/zinc/63/22/15/938632215.db2.gz	QEBCXVYGYVRXOI-KGLIPLIRSA-N	1	0	363.874	1.601	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2ccccc2F)C[C@@H]1n1ccnn1	ZINC001130038247	938636327	/nfs/dbraw/zinc/63/63/27/938636327.db2.gz	UOGJELFZPKMTCS-MSOLQXFVSA-N	1	0	369.444	1.760	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnc(C)nc2C)C[C@@H]1n1ccnn1	ZINC001130045777	938645310	/nfs/dbraw/zinc/64/53/10/938645310.db2.gz	AIGUFMZEAIMTMY-SJORKVTESA-N	1	0	355.446	1.306	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3cccnc3c2)C[C@@H]1n1ccnn1	ZINC001130046242	938645642	/nfs/dbraw/zinc/64/56/42/938645642.db2.gz	KAYDSOZFPPUZJF-MOPGFXCFSA-N	1	0	360.421	1.505	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)COCc2ccncc2)C[C@@H]1n1ccnn1	ZINC001130057158	938646634	/nfs/dbraw/zinc/64/66/34/938646634.db2.gz	LKEMNSGMFKWYMJ-MSOLQXFVSA-N	1	0	370.457	1.198	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(CC)c(CC)o2)C[C@@H]1n1ccnn1	ZINC001130085942	938667019	/nfs/dbraw/zinc/66/70/19/938667019.db2.gz	FGXHZAKYZGQCRR-CVEARBPZSA-N	1	0	355.442	1.675	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2ccc(C)s2)C[C@@H]1n1ccnn1	ZINC001130088623	938674927	/nfs/dbraw/zinc/67/49/27/938674927.db2.gz	ARKOHLNGPCRBLK-XHSDSOJGSA-N	1	0	357.483	1.817	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2ccccn2)C[C@@H]1n1ccnn1	ZINC001130088810	938675220	/nfs/dbraw/zinc/67/52/20/938675220.db2.gz	JXONCNWQZNNKQK-BBWFWOEESA-N	1	0	370.457	1.448	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001130091197	938676377	/nfs/dbraw/zinc/67/63/77/938676377.db2.gz	FQMORUZIASXXFX-QRQLOZEOSA-N	1	0	351.454	1.755	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCCc2ccccn2)C[C@@H]1n1ccnn1	ZINC001130099936	938682453	/nfs/dbraw/zinc/68/24/53/938682453.db2.gz	QVCUTYPGOHZBMK-MSOLQXFVSA-N	1	0	352.442	1.061	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2occ3c2CCCC3)C[C@@H]1n1ccnn1	ZINC001130102238	938684116	/nfs/dbraw/zinc/68/41/16/938684116.db2.gz	OKILOFVOQVFEQQ-SJORKVTESA-N	1	0	355.442	1.981	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn(CC(C)C)c2C)C[C@@H]1n1ccnn1	ZINC001130110114	938688919	/nfs/dbraw/zinc/68/89/19/938688919.db2.gz	VRIMMZZAMSJWNK-MSOLQXFVSA-N	1	0	369.473	1.118	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130112203	938690906	/nfs/dbraw/zinc/69/09/06/938690906.db2.gz	RGAZFMXOMWPJTK-JQHSSLGASA-N	1	0	353.426	1.110	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)COc2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001130112965	938692881	/nfs/dbraw/zinc/69/28/81/938692881.db2.gz	WHFSAXBTZLFTOR-MOPGFXCFSA-N	1	0	369.469	1.973	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCOc2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001130125330	938696197	/nfs/dbraw/zinc/69/61/97/938696197.db2.gz	HTCDOHWZGBVDFM-MOPGFXCFSA-N	1	0	367.453	1.420	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cncnc2CC)C[C@@H]1n1ccnn1	ZINC001130125635	938696856	/nfs/dbraw/zinc/69/68/56/938696856.db2.gz	XVDQBXBYEFCCDL-QGTPRVQTSA-N	1	0	369.473	1.641	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C3CCCC3)no2)C[C@@H]1n1ccnn1	ZINC001130127993	938697984	/nfs/dbraw/zinc/69/79/84/938697984.db2.gz	SCWFQRYJJJJLOZ-SJORKVTESA-N	1	0	368.441	1.602	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cccc(F)c2)C[C@@H]1n1ccnn1	ZINC001130129330	938698547	/nfs/dbraw/zinc/69/85/47/938698547.db2.gz	CFFHAFGYRWRTIZ-QGTPRVQTSA-N	1	0	355.417	1.586	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)COc2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001130118824	938701948	/nfs/dbraw/zinc/70/19/48/938701948.db2.gz	PUVSNMVAABBWSG-MOPGFXCFSA-N	1	0	369.469	1.973	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)c2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001130146614	938706760	/nfs/dbraw/zinc/70/67/60/938706760.db2.gz	UVNMVJYGIVLHPS-QRVBRYPASA-N	1	0	369.444	1.976	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)n2c(C)ccc2C)C[C@@H]1n1ccnn1	ZINC001130139639	938711732	/nfs/dbraw/zinc/71/17/32/938711732.db2.gz	GKTGNZANHOPSSG-KURKYZTESA-N	1	0	354.458	1.322	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](OCC)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130148072	938712361	/nfs/dbraw/zinc/71/23/61/938712361.db2.gz	DIKQEPBCWWAYRA-QYZOEREBSA-N	1	0	369.469	1.974	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCn2cc(C)cn2)C[C@@H]1n1ccnn1	ZINC001130140357	938712384	/nfs/dbraw/zinc/71/23/84/938712384.db2.gz	WUUDDCODZCNGTB-KURKYZTESA-N	1	0	371.489	1.570	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCc2cc(C)sc2C)C[C@@H]1n1ccnn1	ZINC001130143105	938714382	/nfs/dbraw/zinc/71/43/82/938714382.db2.gz	OIHPJAQEUHGYJY-MSOLQXFVSA-N	1	0	371.510	1.954	20	30		FDEDRO
C=C[C@@H](C(=O)N1C[C@@H]([NH2+]CCOCC)[C@@H](n2ccnn2)C1)c1ccccc1	ZINC001130143515	938714818	/nfs/dbraw/zinc/71/48/18/938714818.db2.gz	XETGMWFKKFRFLF-QRVBRYPASA-N	1	0	369.469	1.626	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2csc(COC)n2)C[C@@H]1n1ccnn1	ZINC001130151225	938715713	/nfs/dbraw/zinc/71/57/13/938715713.db2.gz	JYLKFJROTBHLMT-OCCSQVGLSA-N	1	0	362.459	1.112	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2c(C)nn(C)c2C)C[C@@H]1n1ccnn1	ZINC001130160997	938721453	/nfs/dbraw/zinc/72/14/53/938721453.db2.gz	LWRGECVCUDLZEO-XYPHTWIQSA-N	1	0	371.489	1.350	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnc(CC)s2)C[C@@H]1n1ccnn1	ZINC001130148470	938722770	/nfs/dbraw/zinc/72/27/70/938722770.db2.gz	QPBXIZKSBICOGW-KGLIPLIRSA-N	1	0	360.487	1.919	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccccc2C)[nH]1	ZINC001130177567	938724907	/nfs/dbraw/zinc/72/49/07/938724907.db2.gz	IBKKHNHAEGFHOV-HOTGVXAUSA-N	1	0	355.442	1.691	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC2CCCC2)n1	ZINC001130181211	938728167	/nfs/dbraw/zinc/72/81/67/938728167.db2.gz	BBLUZSCMTYCVRH-HOTGVXAUSA-N	1	0	359.474	1.487	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccccc2)[nH]1	ZINC001130181475	938728461	/nfs/dbraw/zinc/72/84/61/938728461.db2.gz	JVHRHXGWFGFJHH-HOTGVXAUSA-N	1	0	353.426	1.220	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)COCC)[nH]1	ZINC001130187955	938734329	/nfs/dbraw/zinc/73/43/29/938734329.db2.gz	RWMWLKYVJQQILM-KKUMJFAQSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C(C)C)[nH]1	ZINC001130190477	938735219	/nfs/dbraw/zinc/73/52/19/938735219.db2.gz	AFBDBXDBHDBPDI-ILXRZTDVSA-N	1	0	365.478	1.273	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccoc2)[nH]1	ZINC001130183130	938742599	/nfs/dbraw/zinc/74/25/99/938742599.db2.gz	RGLLZKFFBKPJCS-GJZGRUSLSA-N	1	0	359.430	1.756	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCSC)[nH]1	ZINC001130183236	938742766	/nfs/dbraw/zinc/74/27/66/938742766.db2.gz	XQNKBGLPJVNHBM-STQMWFEESA-N	1	0	353.492	1.212	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)SC)[nH]1	ZINC001130185120	938744394	/nfs/dbraw/zinc/74/43/94/938744394.db2.gz	XOVIRXUHASGIEC-AVGNSLFASA-N	1	0	353.492	1.211	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC2(F)F)[nH]1	ZINC001130207590	938746750	/nfs/dbraw/zinc/74/67/50/938746750.db2.gz	IFGIASFCFNNGIC-XQQFMLRXSA-N	1	0	369.416	1.504	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(CC=C)CC=C)n1	ZINC001130213051	938749980	/nfs/dbraw/zinc/74/99/80/938749980.db2.gz	RBZBULMPSVEJAG-HOTGVXAUSA-N	1	0	357.458	1.285	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@]2(C)CC=CCC2)n1	ZINC001130212975	938750093	/nfs/dbraw/zinc/75/00/93/938750093.db2.gz	NLGWEAPLCHVORL-FTRWYGJKSA-N	1	0	371.485	1.653	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)nc(C)c2)[nH]1	ZINC001130216280	938752748	/nfs/dbraw/zinc/75/27/48/938752748.db2.gz	RINUCNZMVANALK-HOTGVXAUSA-N	1	0	370.457	1.395	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](CC)SC)[nH]1	ZINC001130200348	938754144	/nfs/dbraw/zinc/75/41/44/938754144.db2.gz	IXRFZINVZVLBCH-MELADBBJSA-N	1	0	365.503	1.048	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](CC)SC)n1	ZINC001130200840	938754559	/nfs/dbraw/zinc/75/45/59/938754559.db2.gz	YBRYHFNGKXGNKY-MELADBBJSA-N	1	0	365.503	1.048	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(F)=C2CCCC2)[nH]1	ZINC001130202545	938755056	/nfs/dbraw/zinc/75/50/56/938755056.db2.gz	BOQKAVHRLYDFBJ-KBPBESRZSA-N	1	0	363.437	1.867	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCC(C)(F)F)n1	ZINC001130220747	938756088	/nfs/dbraw/zinc/75/60/88/938756088.db2.gz	KLEKNZOYSDPTHC-STQMWFEESA-N	1	0	369.416	1.342	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCCC23CC3)[nH]1	ZINC001130221104	938756692	/nfs/dbraw/zinc/75/66/92/938756692.db2.gz	VANJDEPKBUWWKP-XHSDSOJGSA-N	1	0	371.485	1.487	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](F)C(C)C)[nH]1	ZINC001130227549	938761228	/nfs/dbraw/zinc/76/12/28/938761228.db2.gz	DDTBNIMZTNWXMI-KCQAQPDRSA-N	1	0	353.442	1.453	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(C(C)C)CC2)n1	ZINC001130235170	938766573	/nfs/dbraw/zinc/76/65/73/938766573.db2.gz	WPEHSDMTJVLBMU-GJZGRUSLSA-N	1	0	359.474	1.343	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)C(C)(F)F)[nH]1	ZINC001130238057	938767465	/nfs/dbraw/zinc/76/74/65/938767465.db2.gz	QWNFLWVFFBBKCU-AVGNSLFASA-N	1	0	369.416	1.198	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](CC)CC(C)C)n1	ZINC001130246743	938772015	/nfs/dbraw/zinc/77/20/15/938772015.db2.gz	OOXRQRYWPCCJLY-JYJNAYRXSA-N	1	0	361.490	1.589	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H](C)COC)[nH]1	ZINC001130246725	938772198	/nfs/dbraw/zinc/77/21/98/938772198.db2.gz	NRTFUIFFASFTDC-KKUMJFAQSA-N	1	0	365.478	1.132	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H](C)CC(C)C)n1	ZINC001130248946	938773139	/nfs/dbraw/zinc/77/31/39/938773139.db2.gz	BJMLGYJQAQCZHA-PMPSAXMXSA-N	1	0	361.490	1.589	20	30		FDEDRO
C=CCCOCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(C)C)[nH]1	ZINC001130251189	938774326	/nfs/dbraw/zinc/77/43/26/938774326.db2.gz	HNWLELTYIVXNIO-GJZGRUSLSA-N	1	0	365.478	1.132	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(=C)C)[nH]1	ZINC001130251319	938774648	/nfs/dbraw/zinc/77/46/48/938774648.db2.gz	NGYNVHFEYZQRFS-KKUMJFAQSA-N	1	0	363.462	1.050	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@]2(C)CC=C(C)CC2)n1	ZINC001130251533	938774733	/nfs/dbraw/zinc/77/47/33/938774733.db2.gz	ZPLJTBAZMJTKKM-FTRWYGJKSA-N	1	0	371.485	1.653	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)cc(C)c2)[nH]1	ZINC001130251507	938774877	/nfs/dbraw/zinc/77/48/77/938774877.db2.gz	YKBYUVNNDFJKIF-IRXDYDNUSA-N	1	0	369.469	2.000	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CO[C@@H](C)CC)CC1	ZINC001130281573	938779359	/nfs/dbraw/zinc/77/93/59/938779359.db2.gz	JKUKAULWMOHPHE-VPWXQRGCSA-N	1	0	365.518	1.853	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)/C=C(/C)C2CC2)CC1	ZINC001130274589	938786980	/nfs/dbraw/zinc/78/69/80/938786980.db2.gz	VFUFGJRDPHCDBH-LDPWETCSSA-N	1	0	357.498	1.841	20	30		FDEDRO
C=C(C)CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)OCC)CC1	ZINC001130277059	938788332	/nfs/dbraw/zinc/78/83/32/938788332.db2.gz	ZTSYCLYTJANUEL-WDYCEAGBSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCC)CC1	ZINC001130278888	938789037	/nfs/dbraw/zinc/78/90/37/938789037.db2.gz	IUBHHJZGOYJZMZ-WDYCEAGBSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](CC)OC)CC1	ZINC001130285129	938789843	/nfs/dbraw/zinc/78/98/43/938789843.db2.gz	BAVRASKXQLOYJC-RYRKJORJSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[C@H](C)OC)CC1	ZINC001130285744	938790408	/nfs/dbraw/zinc/79/04/08/938790408.db2.gz	OHLBNGDCYAOBFQ-VPWXQRGCSA-N	1	0	365.518	1.853	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)Cc2ccco2)CC1	ZINC001130302097	938800566	/nfs/dbraw/zinc/80/05/66/938800566.db2.gz	ORVKSECRXIOEBG-ZTNFWEORSA-N	1	0	371.481	1.567	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)CCOC)CC1	ZINC001130307557	938805092	/nfs/dbraw/zinc/80/50/92/938805092.db2.gz	UJGSRCISMMZQIZ-KYJSFNMBSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2)c1ccncc1	ZINC000805809851	938830767	/nfs/dbraw/zinc/83/07/67/938830767.db2.gz	YXBMOXVGJQYYCE-QGZVFWFLSA-N	1	0	356.470	1.902	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccncc1	ZINC000805811866	938831162	/nfs/dbraw/zinc/83/11/62/938831162.db2.gz	WCMMDJSMLXYBFK-ZWKOTPCHSA-N	1	0	356.470	1.902	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1ccncc1	ZINC000805814181	938831446	/nfs/dbraw/zinc/83/14/46/938831446.db2.gz	METQXLVRBQQIQZ-MSOLQXFVSA-N	1	0	356.470	1.902	20	30		FDEDRO
Cn1cnc([C@@H]2CN(C(=O)C(F)F)C[C@H]2[NH2+]CC#Cc2ccccc2)c1	ZINC001130473638	938864415	/nfs/dbraw/zinc/86/44/15/938864415.db2.gz	ARLGKGHYLOKZDO-DOTOQJQBSA-N	1	0	358.392	1.621	20	30		FDEDRO
Cn1cnc([C@@H]2CN(C(=O)CSCC#N)C[C@H]2[NH2+]CCC(C)(C)C)c1	ZINC001130502159	938885294	/nfs/dbraw/zinc/88/52/94/938885294.db2.gz	ACORCRDWXXYNOO-GOEBONIOSA-N	1	0	363.531	1.997	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(OCC#N)cc1	ZINC000806169525	938898426	/nfs/dbraw/zinc/89/84/26/938898426.db2.gz	GXWQCUUWTKNZLA-GDBMZVCRSA-N	1	0	366.487	1.510	20	30		FDEDRO
C=CCNC(=O)c1cccc(-c2noc(C3(COC)CC[NH2+]CC3)n2)c1	ZINC000822771941	945248011	/nfs/dbraw/zinc/24/80/11/945248011.db2.gz	ZWGOXJFEHYGIFM-UHFFFAOYSA-N	1	0	356.426	1.920	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@H]2CCOC2)C1	ZINC001130576162	939879175	/nfs/dbraw/zinc/87/91/75/939879175.db2.gz	JCVJYNDWXZKKNU-ZIFCJYIRSA-N	1	0	358.486	1.534	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1c1cn(C)cn1	ZINC001130578313	939890614	/nfs/dbraw/zinc/89/06/14/939890614.db2.gz	HCVQXCFRPIQIQS-IJEWVQPXSA-N	1	0	357.462	1.101	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2ccnn2C)C[C@H]1c1cn(C)cn1	ZINC001130597044	939903975	/nfs/dbraw/zinc/90/39/75/939903975.db2.gz	YPIMNADGQWXGKF-SOLBZPMBSA-N	1	0	370.501	1.808	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCO)C1	ZINC001130599096	939904592	/nfs/dbraw/zinc/90/45/92/939904592.db2.gz	HQYWCEZEOIFHOQ-DZGCQCFKSA-N	1	0	354.882	1.465	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2cn(C)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130610790	939908354	/nfs/dbraw/zinc/90/83/54/939908354.db2.gz	QSHFSNUKJAFROY-FUHWJXTLSA-N	1	0	356.474	1.165	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2nc(C)sc2C)C[C@H]1c1cn(C)cn1	ZINC001130614679	939912019	/nfs/dbraw/zinc/91/20/19/939912019.db2.gz	BAGIBVBNTIWUSZ-GOEBONIOSA-N	1	0	357.483	1.715	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC(=O)C(=O)NCc1cc(C#N)ccc1F)C(C)(C)C	ZINC000806391764	939912052	/nfs/dbraw/zinc/91/20/52/939912052.db2.gz	ZWPRECVKFYUUQL-MRXNPFEDSA-N	1	0	362.449	1.796	20	30		FDEDRO
Cc1nc(NCCOCCOCC[NH3+])c(C#N)c(C)c1Br	ZINC001170507333	939917290	/nfs/dbraw/zinc/91/72/90/939917290.db2.gz	IFLNGKVXZQLNCN-UHFFFAOYSA-N	1	0	357.252	1.736	20	30		FDEDRO
N#CCOc1ccc(Br)cc1NCCOCCOCC[NH3+]	ZINC001170507344	939917292	/nfs/dbraw/zinc/91/72/92/939917292.db2.gz	IFNRTPVEOUSCME-UHFFFAOYSA-N	1	0	358.236	1.755	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2(COC)CCCC2)C[C@H]1c1cn(C)cn1	ZINC001130607660	939919414	/nfs/dbraw/zinc/91/94/14/939919414.db2.gz	HNDLOOVPAARBHG-FUHWJXTLSA-N	1	0	358.486	1.534	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccn3c2CCCC3)C[C@H]1c1cn(C)cn1	ZINC001130607988	939919991	/nfs/dbraw/zinc/91/99/91/939919991.db2.gz	VOXUABJUIONGDN-PKOBYXMFSA-N	1	0	365.481	1.779	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H]1c1cn(C)cn1	ZINC001130623863	939921823	/nfs/dbraw/zinc/92/18/23/939921823.db2.gz	KPFWBNOWIXJPFJ-WMLDXEAASA-N	1	0	354.458	1.406	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3O2)C[C@H]1c1cn(C)cn1	ZINC001130624420	939922261	/nfs/dbraw/zinc/92/22/61/939922261.db2.gz	WDHFMYWJHYMPEI-HQRMLTQVSA-N	1	0	366.465	1.884	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccn3ccnc3c2)C[C@H]1c1cn(C)cn1	ZINC001130627193	939925056	/nfs/dbraw/zinc/92/50/56/939925056.db2.gz	YRRFNJNTRBWEHG-FUHWJXTLSA-N	1	0	362.437	1.289	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3cncn3C2)C[C@H]1c1cn(C)cn1	ZINC001130616783	939928219	/nfs/dbraw/zinc/92/82/19/939928219.db2.gz	BFOOXSXFFWRKOQ-HHXXYDBFSA-N	1	0	368.485	1.339	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2nc(C)cs2)C[C@H]1c1cn(C)cn1	ZINC001130628335	939929492	/nfs/dbraw/zinc/92/94/92/939929492.db2.gz	LQLIXTWRNGCFNH-DOTOQJQBSA-N	1	0	371.510	1.725	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130630615	939934952	/nfs/dbraw/zinc/93/49/52/939934952.db2.gz	QYZCBCNUWLBJKV-JFRXWTBNSA-N	1	0	358.486	1.695	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(CC)nnc2C)C[C@H]1c1cn(C)cn1	ZINC001130635300	939937730	/nfs/dbraw/zinc/93/77/30/939937730.db2.gz	SRCCGYKHQFIDEB-PKOBYXMFSA-N	1	0	366.469	1.302	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCCOC)C2)cc1	ZINC001130637686	939939455	/nfs/dbraw/zinc/93/94/55/939939455.db2.gz	HAOMMQJUGMYMKJ-AZUAARDMSA-N	1	0	366.465	1.636	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOC(C)C)C1	ZINC001130649241	939944323	/nfs/dbraw/zinc/94/43/23/939944323.db2.gz	BQFMXTXMGCYGDW-PKOBYXMFSA-N	1	0	360.502	1.923	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1c1cn(C)cn1	ZINC001130649318	939944334	/nfs/dbraw/zinc/94/43/34/939944334.db2.gz	FRIATHHZNRYZRC-QILLFSRXSA-N	1	0	357.458	1.890	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2(c3cccnc3)CC2)C[C@H]1c1cn(C)cn1	ZINC001130652292	939946513	/nfs/dbraw/zinc/94/65/13/939946513.db2.gz	NSJZOYSEICSXNB-PKOBYXMFSA-N	1	0	363.465	1.454	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1C#N	ZINC000806503842	939947396	/nfs/dbraw/zinc/94/73/96/939947396.db2.gz	UULPISQHDSKOPK-HZPDHXFCSA-N	1	0	358.442	1.172	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3cccnc32)C[C@H]1c1cn(C)cn1	ZINC001130654729	939948441	/nfs/dbraw/zinc/94/84/41/939948441.db2.gz	QCSOYIMLWJVJSW-ZIFCJYIRSA-N	1	0	363.465	1.452	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCn2cccn2)C1	ZINC001130656191	939960343	/nfs/dbraw/zinc/96/03/43/939960343.db2.gz	CNQBGKLCQUVKNV-FUHWJXTLSA-N	1	0	356.474	1.557	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2cncs2)C[C@H]1c1cn(C)cn1	ZINC001130672529	939971460	/nfs/dbraw/zinc/97/14/60/939971460.db2.gz	RKNVBCJBZKGACK-DOTOQJQBSA-N	1	0	359.499	1.970	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130674721	939972851	/nfs/dbraw/zinc/97/28/51/939972851.db2.gz	CELFZEXJLNQLNG-SUMWQHHRSA-N	1	0	370.457	1.011	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn(CC(C)C)c2)C[C@H]1c1cn(C)cn1	ZINC001130701456	939996703	/nfs/dbraw/zinc/99/67/03/939996703.db2.gz	UGGPTVCIZLGBRW-PKOBYXMFSA-N	1	0	368.485	1.494	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2cnn(CC)c2)C[C@H]1c1cn(C)cn1	ZINC001130709874	939997722	/nfs/dbraw/zinc/99/77/22/939997722.db2.gz	FWYGLZSEWDETPQ-FUHWJXTLSA-N	1	0	356.474	1.339	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cccnc2)C[C@H]1c1cn(C)cn1	ZINC001130714787	940006796	/nfs/dbraw/zinc/00/67/96/940006796.db2.gz	JPGFSOYPDGVJQD-VDZJLULYSA-N	1	0	351.454	1.526	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC=C(C)C)C2)nc1	ZINC001130714886	940007295	/nfs/dbraw/zinc/00/72/95/940007295.db2.gz	NINLJPWOSJPRIZ-FXAWDEMLSA-N	1	0	363.465	1.960	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+][C@H](C)COC)C2)cn1	ZINC001130715119	940007617	/nfs/dbraw/zinc/00/76/17/940007617.db2.gz	UCWLKVCKKPNSQG-DKSSEZFCSA-N	1	0	367.453	1.029	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)cc2OC)C[C@H]1c1cn(C)cn1	ZINC001130717438	940010222	/nfs/dbraw/zinc/01/02/22/940010222.db2.gz	LARSXUXMDAUGCM-PKOBYXMFSA-N	1	0	366.465	1.958	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc(OC)c2)C[C@H]1c1cn(C)cn1	ZINC001130717436	940010226	/nfs/dbraw/zinc/01/02/26/940010226.db2.gz	KWOLLBMDISTWHX-PKOBYXMFSA-N	1	0	352.438	1.650	20	30		FDEDRO
CCCCCCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(N)=O)C1	ZINC001130719558	940023442	/nfs/dbraw/zinc/02/34/42/940023442.db2.gz	YEEJZLUCRATKML-DOTOQJQBSA-N	1	0	363.506	1.540	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)COCc2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130723141	940027592	/nfs/dbraw/zinc/02/75/92/940027592.db2.gz	CJWDRGVJEDRPBG-PKOBYXMFSA-N	1	0	354.454	1.707	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2c(C)n[nH]c2C)C[C@H]1c1cn(C)cn1	ZINC001130723520	940028500	/nfs/dbraw/zinc/02/85/00/940028500.db2.gz	ONIIYHOHSUDWCN-PKOBYXMFSA-N	1	0	368.485	1.300	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCOc2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130725942	940030362	/nfs/dbraw/zinc/03/03/62/940030362.db2.gz	HWPXNGGHUYKDFZ-AZUAARDMSA-N	1	0	366.465	1.797	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cncnc2CC)C[C@H]1c1cn(C)cn1	ZINC001130726108	940030767	/nfs/dbraw/zinc/03/07/67/940030767.db2.gz	LMIQEUMJPLZNOS-QFBILLFUSA-N	1	0	368.485	1.937	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CN(C)c2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130737002	940038149	/nfs/dbraw/zinc/03/81/49/940038149.db2.gz	UCZNZCRKSTZFLE-AZUAARDMSA-N	1	0	365.481	1.464	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccccc2N(C)C)C[C@H]1c1cn(C)cn1	ZINC001130737258	940038741	/nfs/dbraw/zinc/03/87/41/940038741.db2.gz	ZZTRHOLFSGPENO-PKOBYXMFSA-N	1	0	365.481	1.707	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(N(C)C)ccn2)C[C@H]1c1cn(C)cn1	ZINC001130739390	940041243	/nfs/dbraw/zinc/04/12/43/940041243.db2.gz	DXIJZLPEHPKOHY-QFBILLFUSA-N	1	0	368.485	1.655	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2cn(C)nn2)C[C@H]1c1cn(C)cn1	ZINC001130739737	940041519	/nfs/dbraw/zinc/04/15/19/940041519.db2.gz	MGQLYMCGYPSWIS-FUHWJXTLSA-N	1	0	371.489	1.032	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cccc(F)c3)n2)O1	ZINC001130752948	940061177	/nfs/dbraw/zinc/06/11/77/940061177.db2.gz	JKCFLWVYIOOCFJ-LSDHHAIUSA-N	1	0	357.389	1.317	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCOC3)n2)O1	ZINC001130761958	940068446	/nfs/dbraw/zinc/06/84/46/940068446.db2.gz	JSBSCMLHZKXBAX-QLFBSQMISA-N	1	0	363.462	1.233	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccsc3)n2)O1	ZINC001130756324	940078105	/nfs/dbraw/zinc/07/81/05/940078105.db2.gz	ANQPWTVWXXPLFZ-UONOGXRCSA-N	1	0	359.455	1.629	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C)n[nH]3)n2)O1	ZINC001130759881	940087731	/nfs/dbraw/zinc/08/77/31/940087731.db2.gz	RKAAZWWSWGIHAN-GXTWGEPZSA-N	1	0	359.434	1.152	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cn[nH]c3)n2)O1	ZINC001130765406	940096331	/nfs/dbraw/zinc/09/63/31/940096331.db2.gz	QUZWXLAUZDUXPQ-UONOGXRCSA-N	1	0	359.434	1.234	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCCOC)n2)O1	ZINC001130767594	940101327	/nfs/dbraw/zinc/10/13/27/940101327.db2.gz	NUCRVBCBZHOCBO-QWHCGFSZSA-N	1	0	371.869	1.410	20	30		FDEDRO
C=CCOCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCCC)O2)n[nH]1	ZINC001130767970	940102752	/nfs/dbraw/zinc/10/27/52/940102752.db2.gz	WZQAWOLBUNNBJI-LSDHHAIUSA-N	1	0	365.478	1.623	20	30		FDEDRO
C=CCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCOC(C)C)O2)n[nH]1	ZINC001130767862	940102946	/nfs/dbraw/zinc/10/29/46/940102946.db2.gz	VAWZKAJNMAZYNB-LSDHHAIUSA-N	1	0	365.478	1.622	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ncoc3CC)n2)O1	ZINC001130770020	940108362	/nfs/dbraw/zinc/10/83/62/940108362.db2.gz	VBYKZVZVUTYNPF-WCQYABFASA-N	1	0	360.418	1.281	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)/C(C)=C/C)n2)O1	ZINC001130772190	940111191	/nfs/dbraw/zinc/11/11/91/940111191.db2.gz	CGVYULNFDQQQJB-MHQKNSOOSA-N	1	0	353.854	1.949	20	30		FDEDRO
C[C@H](F)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C#CC3CC3)n2)O1	ZINC001130785034	940119592	/nfs/dbraw/zinc/11/95/92/940119592.db2.gz	BKBXAXZHMDYIEC-AEGPPILISA-N	1	0	363.437	1.392	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc[nH]c3)n2)O1	ZINC001130785446	940120052	/nfs/dbraw/zinc/12/00/52/940120052.db2.gz	NGUOKPJVSJMKPW-QWHCGFSZSA-N	1	0	364.837	1.625	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(C)(C)C(=C)Cl)n2)O1	ZINC001130785491	940120273	/nfs/dbraw/zinc/12/02/73/940120273.db2.gz	QHIBGXGYEOVICJ-QWHCGFSZSA-N	1	0	365.865	1.643	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C#CC3CC3)n2)O1	ZINC001130785734	940120678	/nfs/dbraw/zinc/12/06/78/940120678.db2.gz	YNBOLILERWIQOF-UONOGXRCSA-N	1	0	363.849	1.397	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccns3)n2)O1	ZINC001130785552	940120850	/nfs/dbraw/zinc/12/08/50/940120850.db2.gz	USPLVNGYINJWOS-NWDGAFQWSA-N	1	0	362.459	1.577	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3coc(C)c3)n2)O1	ZINC001130777039	940127691	/nfs/dbraw/zinc/12/76/91/940127691.db2.gz	SKKIFEINJSEPLD-LSDHHAIUSA-N	1	0	357.414	1.469	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cncnc3)n2)O1	ZINC001130778049	940130974	/nfs/dbraw/zinc/13/09/74/940130974.db2.gz	CHCXVOPGAYHONX-LSDHHAIUSA-N	1	0	371.445	1.301	20	30		FDEDRO
CC(C)C#CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C/C=C/Cl)O2)n[nH]1	ZINC001130783472	940143012	/nfs/dbraw/zinc/14/30/12/940143012.db2.gz	ZPTWVSJNLAUOEM-IUGWJDQWSA-N	1	0	365.865	1.643	20	30		FDEDRO
C=CC(C)(C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C[C@H](C)OC)O2)n[nH]1	ZINC001130795849	940149187	/nfs/dbraw/zinc/14/91/87/940149187.db2.gz	AOHMGUSZFCFWFO-MELADBBJSA-N	1	0	365.478	1.478	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)CC(=C)C)n2)O1	ZINC001130796126	940150538	/nfs/dbraw/zinc/15/05/38/940150538.db2.gz	JGADNLFTQMVSGH-HRCADAONSA-N	1	0	359.474	1.856	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@]3(C)C=CCC3)n2)O1	ZINC001130796463	940151297	/nfs/dbraw/zinc/15/12/97/940151297.db2.gz	SJOPWTCPNOPLRB-QMTMVMCOSA-N	1	0	357.458	1.610	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCC3(F)F)n2)O1	ZINC001130787394	940155644	/nfs/dbraw/zinc/15/56/44/940155644.db2.gz	OIBVMEUDKLNSID-YNEHKIRRSA-N	1	0	367.400	1.299	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCC3(F)F)n2)O1	ZINC001130787573	940156723	/nfs/dbraw/zinc/15/67/23/940156723.db2.gz	ZEBBBCPNGYAHRT-YNEHKIRRSA-N	1	0	369.416	1.852	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCC(F)(F)C3)n2)O1	ZINC001130790002	940161271	/nfs/dbraw/zinc/16/12/71/940161271.db2.gz	CJPIZNSYKNUILK-FRRDWIJNSA-N	1	0	369.416	1.852	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C34CCC(CC3)C4)n2)O1	ZINC001130790378	940164240	/nfs/dbraw/zinc/16/42/40/940164240.db2.gz	XJPZWQGHPQCRDU-QNBXZPKWSA-N	1	0	371.485	1.834	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@]34C[C@H]3CCC4)n2)O1	ZINC001130792553	940171174	/nfs/dbraw/zinc/17/11/74/940171174.db2.gz	JYJOVKZBQFJWQZ-NXEZDXNNSA-N	1	0	359.474	1.997	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2COCCO2)C1	ZINC001086647537	940191861	/nfs/dbraw/zinc/19/18/61/940191861.db2.gz	QXBSELWUQPDLNB-MORSLUCNSA-N	1	0	361.417	1.487	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cccnc3C)n2)O1	ZINC001130799509	940193175	/nfs/dbraw/zinc/19/31/75/940193175.db2.gz	KIGNXTDRMOOMOB-GOEBONIOSA-N	1	0	370.457	1.824	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCCF)n2)O1	ZINC001130799794	940194385	/nfs/dbraw/zinc/19/43/85/940194385.db2.gz	YASQCNQGWROEOL-NWDGAFQWSA-N	1	0	359.833	1.733	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC#CC)O2)n[nH]1	ZINC001130799818	940195389	/nfs/dbraw/zinc/19/53/89/940195389.db2.gz	ZNTAAGYMSNGUNA-LSDHHAIUSA-N	1	0	359.474	1.856	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H](C)c3ccco3)n2)O1	ZINC001130816425	940219119	/nfs/dbraw/zinc/21/91/19/940219119.db2.gz	WGEKWLXHPOSKJQ-OFQRWUPVSA-N	1	0	371.441	1.651	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnccn2)C[C@H]1c1cncn1C	ZINC001130891412	940305550	/nfs/dbraw/zinc/30/55/50/940305550.db2.gz	CPUTVDLOJHTMLM-BFYDXBDKSA-N	1	0	354.458	1.763	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1c1cncn1C	ZINC001130908448	940314991	/nfs/dbraw/zinc/31/49/91/940314991.db2.gz	HXTGQURGRKOZNM-SQWLQELKSA-N	1	0	370.457	1.468	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2snnc2C)C[C@H]1c1cncn1C	ZINC001130909052	940315802	/nfs/dbraw/zinc/31/58/02/940315802.db2.gz	ZGPAZCFJOBPRDR-ZIAGYGMSSA-N	1	0	360.487	1.744	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(=O)NCC(C)C)C1	ZINC001130935710	940331574	/nfs/dbraw/zinc/33/15/74/940331574.db2.gz	HYASPOMEKVXYNX-HZPDHXFCSA-N	1	0	361.490	1.043	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCCC)C[C@H]1c1cncn1C	ZINC001130921163	940331707	/nfs/dbraw/zinc/33/17/07/940331707.db2.gz	ZVGCMSLRDXLPEW-BZUAXINKSA-N	1	0	361.490	1.185	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000807394172	940332963	/nfs/dbraw/zinc/33/29/63/940332963.db2.gz	BTQRGVRPFJMCMV-AWEZNQCLSA-N	1	0	362.405	1.657	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1c1cncn1C	ZINC001130930952	940340072	/nfs/dbraw/zinc/34/00/72/940340072.db2.gz	IQTVSVXQKYPAIX-CGTJXYLNSA-N	1	0	370.501	1.635	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnccc2C)C1	ZINC001130946126	940357233	/nfs/dbraw/zinc/35/72/33/940357233.db2.gz	KPZRMKDVKJWUSY-QZTJIDSGSA-N	1	0	369.469	1.410	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2cc(C)n[nH]2)C[C@H]1c1cncn1C	ZINC001130953453	940373736	/nfs/dbraw/zinc/37/37/36/940373736.db2.gz	CGOZEUMNESKILE-IAGOWNOFSA-N	1	0	356.474	1.545	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCCC(=O)NC)C[C@H]1c1cncn1C	ZINC001130968963	940376756	/nfs/dbraw/zinc/37/67/56/940376756.db2.gz	MYYZPDMUYLLLDG-HZPDHXFCSA-N	1	0	361.490	1.187	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)/C=C\c2ccc[nH]2)C[C@H]1c1cncn1C	ZINC001130971610	940380639	/nfs/dbraw/zinc/38/06/39/940380639.db2.gz	VYZKFTXRPBBDQZ-XXCOWLKOSA-N	1	0	369.469	1.548	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cncn2C)C1	ZINC001130964602	940386466	/nfs/dbraw/zinc/38/64/66/940386466.db2.gz	UHWBRJIDGGNUDV-QZTJIDSGSA-N	1	0	368.485	1.431	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)C(C)(C)C	ZINC000807535871	940393980	/nfs/dbraw/zinc/39/39/80/940393980.db2.gz	MJYPMFPTJMCGHD-INIZCTEOSA-N	1	0	372.469	1.679	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCO[C@H](C)CC(C)C)C[C@H]1c1cncn1C	ZINC001130989197	940411698	/nfs/dbraw/zinc/41/16/98/940411698.db2.gz	XIIWSTRWXYFHSA-KZNAEPCWSA-N	1	0	360.502	1.779	20	30		FDEDRO
Cn1cncc1[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1[NH2+]Cc1ccnn1C	ZINC001130985182	940422514	/nfs/dbraw/zinc/42/25/14/940422514.db2.gz	AWPTUHJJJOBOEE-IAGOWNOFSA-N	1	0	368.485	1.287	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnnn2CC)C1	ZINC001131001997	940428583	/nfs/dbraw/zinc/42/85/83/940428583.db2.gz	VQAKNSZARIYHSH-IAGOWNOFSA-N	1	0	371.489	1.472	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@@H](CC)C(N)=O)C1	ZINC001131003261	940429564	/nfs/dbraw/zinc/42/95/64/940429564.db2.gz	AQWZDIGIKGPCOF-QLFBSQMISA-N	1	0	361.490	1.170	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2conc2C(C)C)C[C@H]1c1cncn1C	ZINC001131007596	940433955	/nfs/dbraw/zinc/43/39/55/940433955.db2.gz	BPZFEYOOMZXUHD-GDBMZVCRSA-N	1	0	355.442	1.753	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c(C)nnn2CC)C[C@H]1c1cncn1C	ZINC001131007817	940434137	/nfs/dbraw/zinc/43/41/37/940434137.db2.gz	MSWJHHRIAJIVEG-HZPDHXFCSA-N	1	0	371.489	1.504	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)c2C)C[C@H]1c1cncn1C	ZINC001130999617	940436340	/nfs/dbraw/zinc/43/63/40/940436340.db2.gz	VRMYHCHMFMPXAE-QZTJIDSGSA-N	1	0	368.485	1.002	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C2CCC2)C[C@H]1c1cncn1C	ZINC001131017963	940438882	/nfs/dbraw/zinc/43/88/82/940438882.db2.gz	VJBQHPIIPQXSGC-CGTJXYLNSA-N	1	0	360.502	1.943	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2nc(C)sc2C)C[C@H]1c1cncn1C	ZINC001131017913	940438914	/nfs/dbraw/zinc/43/89/14/940438914.db2.gz	SJRYQHOHBJLPKZ-NVXWUHKLSA-N	1	0	371.510	1.643	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1c1cncn1C	ZINC001131010629	940441880	/nfs/dbraw/zinc/44/18/80/940441880.db2.gz	VUCRIEBFDLOULH-LHHMISFZSA-N	1	0	362.474	1.074	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC#CC)C2)CCOCC1	ZINC001131010634	940441953	/nfs/dbraw/zinc/44/19/53/940441953.db2.gz	WHJWLLANTWZCMH-QZTJIDSGSA-N	1	0	368.481	1.148	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ncc(F)cc2F)C[C@H]1c1cncn1C	ZINC001131020155	940452512	/nfs/dbraw/zinc/45/25/12/940452512.db2.gz	MHXJPKJERNHYOU-UKRRQHHQSA-N	1	0	361.396	1.867	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ncc(F)cc2F)C[C@H]1c1cncn1C	ZINC001131020379	940452917	/nfs/dbraw/zinc/45/29/17/940452917.db2.gz	SWIYFRYIOGBUIQ-UKRRQHHQSA-N	1	0	359.380	1.314	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1)[C@H]1CCCO1	ZINC000807684512	940455537	/nfs/dbraw/zinc/45/55/37/940455537.db2.gz	HBHXIGKWAZYQMI-ZGUYJTEBSA-N	1	0	361.486	1.197	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(=O)oc2C)C[C@H]1c1cncn1C	ZINC001131026126	940459729	/nfs/dbraw/zinc/45/97/29/940459729.db2.gz	WFQWCKHNKMJVIU-HZPDHXFCSA-N	1	0	368.437	1.211	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCCc2c[nH]nn2)C[C@H]1c1cncn1C	ZINC001131038592	940467214	/nfs/dbraw/zinc/46/72/14/940467214.db2.gz	YTAIVAGHDHFRML-HZPDHXFCSA-N	1	0	357.462	1.021	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccnn2C)C[C@H]1c1cncn1C	ZINC001131033065	940470021	/nfs/dbraw/zinc/47/00/21/940470021.db2.gz	FRYNWZXQAMTHHY-QBPKDAKJSA-N	1	0	368.485	1.417	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](CCC)OC)C[C@H]1c1cncn1C	ZINC001131042915	940471867	/nfs/dbraw/zinc/47/18/67/940471867.db2.gz	YMUJKNBERGARJW-JFIYKMOQSA-N	1	0	364.490	1.322	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccnc2OC)C[C@H]1c1cncn1C	ZINC001131059879	940478779	/nfs/dbraw/zinc/47/87/79/940478779.db2.gz	NRBRYJPYFRVAKL-HZPDHXFCSA-N	1	0	353.426	1.045	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CC(C)=C(C)C)C[C@H]1c1cncn1C	ZINC001131053801	940480678	/nfs/dbraw/zinc/48/06/78/940480678.db2.gz	AZFFUWHXBRYNGJ-QZTJIDSGSA-N	1	0	358.486	1.700	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCOCC)C2)c1	ZINC001131067894	940483062	/nfs/dbraw/zinc/48/30/62/940483062.db2.gz	AHJSASDWBPSCOD-QZTJIDSGSA-N	1	0	367.453	1.031	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C/C=C/Cl)C1	ZINC001131072159	940485129	/nfs/dbraw/zinc/48/51/29/940485129.db2.gz	LGLCOHLRFQKDLG-NRFUJIAOSA-N	1	0	364.877	1.648	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2csc(C)n2)C[C@H]1c1cncn1C	ZINC001131084293	940489243	/nfs/dbraw/zinc/48/92/43/940489243.db2.gz	QMQGKPSENYYWFW-IAGOWNOFSA-N	1	0	371.510	1.725	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2ccnc2)C[C@H]1c1cncn1C	ZINC001131079217	940492072	/nfs/dbraw/zinc/49/20/72/940492072.db2.gz	GNLBBPYUQBUUHQ-BRWVUGGUSA-N	1	0	354.458	1.175	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)[nH]c2=O)C[C@H]1c1cncn1C	ZINC001131079778	940492314	/nfs/dbraw/zinc/49/23/14/940492314.db2.gz	UOTQKZQKKLNMGL-IAGOWNOFSA-N	1	0	369.469	1.993	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCCOC)C[C@H]1c1cncn1C	ZINC001131086372	940493629	/nfs/dbraw/zinc/49/36/29/940493629.db2.gz	OILZTROIMLWAAC-GVDBMIGSSA-N	1	0	364.490	1.322	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]C/C=C\Cl)C2)nc1	ZINC001131112506	940498787	/nfs/dbraw/zinc/49/87/87/940498787.db2.gz	GBPGGWKNCCNIIM-KUTZAVSJSA-N	1	0	369.856	1.747	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cccnc2)C[C@H]1c1cncn1C	ZINC001131112597	940499002	/nfs/dbraw/zinc/49/90/02/940499002.db2.gz	IANXMFWBNGULIO-CGTJXYLNSA-N	1	0	351.454	1.526	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC23CCCC3)C[C@H]1c1cncn1C	ZINC001131103663	940501142	/nfs/dbraw/zinc/50/11/42/940501142.db2.gz	VWQYCRUZLZIORH-KZNAEPCWSA-N	1	0	370.497	1.534	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1c1cncn1C	ZINC001131105584	940501433	/nfs/dbraw/zinc/50/14/33/940501433.db2.gz	BCPCSXQEJWSSBF-ZIAGYGMSSA-N	1	0	350.413	1.763	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ncoc2C(C)C)C[C@H]1c1cncn1C	ZINC001131106103	940501921	/nfs/dbraw/zinc/50/19/21/940501921.db2.gz	PKYFVJQHCNDXHD-HUUCEWRRSA-N	1	0	355.442	1.753	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cn(CC)cn2)C[C@H]1c1cncn1C	ZINC001131108351	940502696	/nfs/dbraw/zinc/50/26/96/940502696.db2.gz	QUJOEXXYWBNXLN-HZPDHXFCSA-N	1	0	356.474	1.801	20	30		FDEDRO
C[NH+](C)CCN1c2ccccc2C(=NN[C@H](CO)c2ccccc2)C1=O	ZINC000807984576	940504603	/nfs/dbraw/zinc/50/46/03/940504603.db2.gz	BDFISMYFSRJQJV-QGZVFWFLSA-N	1	0	352.438	1.622	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2csc(C)n2)C[C@H]1c1cncn1C	ZINC001131119506	940505188	/nfs/dbraw/zinc/50/51/88/940505188.db2.gz	GLEAVLOXUDCMSU-HZPDHXFCSA-N	1	0	357.483	1.335	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(F)cc2)C[C@H]1c1cncn1C	ZINC001131119836	940505597	/nfs/dbraw/zinc/50/55/97/940505597.db2.gz	YZNUAPMSAMIQEP-QZTJIDSGSA-N	1	0	354.429	1.709	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccnc(C)n2)C[C@H]1c1cncn1C	ZINC001131125757	940507935	/nfs/dbraw/zinc/50/79/35/940507935.db2.gz	KPPXBFPVESKRGJ-NVXWUHKLSA-N	1	0	354.458	1.683	20	30		FDEDRO
C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1c1cncn1C	ZINC001131130494	940511128	/nfs/dbraw/zinc/51/11/28/940511128.db2.gz	PTEUADWUPAKEAW-QXAKKESOSA-N	1	0	366.465	1.127	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CN(C)c2ccccc2)C[C@H]1c1cncn1C	ZINC001131132229	940512445	/nfs/dbraw/zinc/51/24/45/940512445.db2.gz	DUACEJZZOSYRRA-RTBURBONSA-N	1	0	365.481	1.464	20	30		FDEDRO
C=CCOc1ccc(/C=C\C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)cc1OC	ZINC000808156551	940523194	/nfs/dbraw/zinc/52/31/94/940523194.db2.gz	LEIFXKIEGRWNCF-DLCHJWGKSA-N	1	0	372.465	1.941	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCCOC)C1	ZINC001131301239	940547190	/nfs/dbraw/zinc/54/71/90/940547190.db2.gz	PFVLFOXRYPUFPJ-ZACQAIPSSA-N	1	0	365.474	1.485	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CCC4CC4)C[C@H]32)C1	ZINC001131307242	940549007	/nfs/dbraw/zinc/54/90/07/940549007.db2.gz	MUYHPDCESJJKIK-KURKYZTESA-N	1	0	359.470	1.696	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1)C(=O)N1CCCCC1	ZINC001086667549	940559669	/nfs/dbraw/zinc/55/96/69/940559669.db2.gz	MPNZQEQDMAAYDF-YQQAZPJKSA-N	1	0	371.485	1.775	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC(C)C)CC1	ZINC001131414678	940563912	/nfs/dbraw/zinc/56/39/12/940563912.db2.gz	OBIVIWIKZSNODP-SUMDDJOVSA-N	1	0	363.502	1.156	20	30		FDEDRO
CCCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NCC#N)CC1	ZINC001131426659	940566824	/nfs/dbraw/zinc/56/68/24/940566824.db2.gz	IXXBDHVXNPGWEI-APWZRJJASA-N	1	0	364.490	1.192	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccoc2)CC1	ZINC001131429783	940567523	/nfs/dbraw/zinc/56/75/23/940567523.db2.gz	XCGIEIKQHZYPQX-AEFFLSMTSA-N	1	0	361.442	1.181	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCn3cc(Cl)cn3)C2)c1	ZINC001086669262	940599035	/nfs/dbraw/zinc/59/90/35/940599035.db2.gz	WMRVZZNMJKTOGV-SWLSCSKDSA-N	1	0	360.849	1.925	20	30		FDEDRO
CCCCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)C#N)CC1	ZINC001131451280	940604991	/nfs/dbraw/zinc/60/49/91/940604991.db2.gz	JPSCIOAWUMPTQB-NXHRZFHOSA-N	1	0	351.491	1.948	20	30		FDEDRO
C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cnns2)CC1	ZINC001131461467	940612279	/nfs/dbraw/zinc/61/22/79/940612279.db2.gz	MLXVGDZOQFIAJO-WBVHZDCISA-N	1	0	366.487	1.226	20	30		FDEDRO
C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H]2CCCCO2)CC1	ZINC001131461882	940620519	/nfs/dbraw/zinc/62/05/19/940620519.db2.gz	VDKLPPWFMQLAKZ-NSHGMRRFSA-N	1	0	366.502	1.744	20	30		FDEDRO
C#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCC[C@@H](C)O)CC1	ZINC001131488013	940631668	/nfs/dbraw/zinc/63/16/68/940631668.db2.gz	SGHFILGBQWXILB-POAQFYNOSA-N	1	0	350.503	1.937	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC=C(C)C)CC1	ZINC001131478531	940634412	/nfs/dbraw/zinc/63/44/12/940634412.db2.gz	CGXYPHXMHXJOJG-XLIONFOSSA-N	1	0	361.486	1.078	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2cncnc2)CC1	ZINC001131480670	940636748	/nfs/dbraw/zinc/63/67/48/940636748.db2.gz	QZCDLWFJGHDIBO-QUCCMNQESA-N	1	0	358.486	1.971	20	30		FDEDRO
C#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N(C)CC)CC1	ZINC001131483352	940638918	/nfs/dbraw/zinc/63/89/18/940638918.db2.gz	ZPTHLSZCLCVICI-XLIONFOSSA-N	1	0	363.502	1.254	20	30		FDEDRO
CNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C#CC(C)(C)C)CC1	ZINC001131495708	940646707	/nfs/dbraw/zinc/64/67/07/940646707.db2.gz	BGNLLSBHPWOXCZ-LESCRADOSA-N	1	0	363.502	1.156	20	30		FDEDRO
CCOC(=O)COc1cc(Cl)c(N[C@H](C)[C@@H]2C[NH2+]CCO2)nc1C#N	ZINC001170565234	940680293	/nfs/dbraw/zinc/68/02/93/940680293.db2.gz	ULJNIZUDTLCVEX-YGRLFVJLSA-N	1	0	368.821	1.337	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1	ZINC001131516962	940683889	/nfs/dbraw/zinc/68/38/89/940683889.db2.gz	CSLXWROFEDTEMB-MTNOOBJLSA-N	1	0	356.470	1.522	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2[nH]c(=O)[nH]c2C)CC1	ZINC001131517057	940684391	/nfs/dbraw/zinc/68/43/91/940684391.db2.gz	ICGCABLBNTYVOT-WBVHZDCISA-N	1	0	362.474	1.989	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CCCCC2=O)CC1	ZINC001131528447	940698513	/nfs/dbraw/zinc/69/85/13/940698513.db2.gz	WYMPFXFOGPITJJ-XLIONFOSSA-N	1	0	361.486	1.008	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1	ZINC001131533581	940704272	/nfs/dbraw/zinc/70/42/72/940704272.db2.gz	NGSUVGMDTKNOTC-SXJNSPEGSA-N	1	0	358.482	1.419	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccnn2C)CC1	ZINC001131533435	940704400	/nfs/dbraw/zinc/70/44/00/940704400.db2.gz	DQXNVSJMPLOKKH-MLYOOKFZSA-N	1	0	370.497	1.533	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCn3ccnc3C2)CC1	ZINC001131522336	940705455	/nfs/dbraw/zinc/70/54/55/940705455.db2.gz	CPVGNAKJIRSJGZ-NSHGMRRFSA-N	1	0	370.497	1.455	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCn3cncc3C2)CC1	ZINC001131522644	940705835	/nfs/dbraw/zinc/70/58/35/940705835.db2.gz	REMDTXRRJSZPBC-RLLQIKCJSA-N	1	0	370.497	1.455	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c(C)nn(C)c2C)CC1	ZINC001131538084	940726072	/nfs/dbraw/zinc/72/60/72/940726072.db2.gz	GADGDUZKJMSBCG-MJGOQNOKSA-N	1	0	358.486	1.660	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@]2(COC)CCOC2)CC1	ZINC001131538143	940726413	/nfs/dbraw/zinc/72/64/13/940726413.db2.gz	HQQSYILCDDCGDS-WSTZPKSXSA-N	1	0	366.502	1.601	20	30		FDEDRO
C=CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N(C)CC)CC1	ZINC001131552552	940728691	/nfs/dbraw/zinc/72/86/91/940728691.db2.gz	VQDUPSHQNGMQGF-XLIONFOSSA-N	1	0	365.518	1.807	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2ncccc2OC)CC1	ZINC001131549849	940738364	/nfs/dbraw/zinc/73/83/64/940738364.db2.gz	BPINCXHPGNIIKT-UTKZUKDTSA-N	1	0	371.481	1.642	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COC[C@H]2CCOC2)CC1	ZINC001131575414	940752532	/nfs/dbraw/zinc/75/25/32/940752532.db2.gz	WQKZWGPUYZZPNX-HQRMLTQVSA-N	1	0	364.486	1.049	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)OCCOC)CC1	ZINC001131578457	940755961	/nfs/dbraw/zinc/75/59/61/940755961.db2.gz	YLBAGNRXYMYQRV-NXHRZFHOSA-N	1	0	352.475	1.047	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2coc(COC)n2)CC1	ZINC001131588131	940757200	/nfs/dbraw/zinc/75/72/00/940757200.db2.gz	SSGQSMKRKLZGPE-QAPCUYQASA-N	1	0	363.458	1.996	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2cnccn2)CC1	ZINC001131588141	940757676	/nfs/dbraw/zinc/75/76/76/940757676.db2.gz	SYINIGFIGAZGGU-QUCCMNQESA-N	1	0	356.470	1.418	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2conc2COC)CC1	ZINC001131593184	940764752	/nfs/dbraw/zinc/76/47/52/940764752.db2.gz	PZNGLRMLUNXUMW-AEFFLSMTSA-N	1	0	363.458	1.996	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(Cl)no2)CC1	ZINC001131597362	940781366	/nfs/dbraw/zinc/78/13/66/940781366.db2.gz	ZSSBCHHGBZJFTQ-CJNGLKHVSA-N	1	0	351.834	1.951	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(C(N)=O)cc2)CC1	ZINC001131601309	940784827	/nfs/dbraw/zinc/78/48/27/940784827.db2.gz	AOCWNBZASAZZCF-MOPGFXCFSA-N	1	0	369.465	1.408	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(CC)n(C)n2)CC1	ZINC001131616106	940794280	/nfs/dbraw/zinc/79/42/80/940794280.db2.gz	JSFRJKYTJPQMCS-MJGOQNOKSA-N	1	0	358.486	1.605	20	30		FDEDRO
C#CC[C@@]1(C(=O)NCCNc2cc[nH+]cc2)CCCN1C(=O)OC(C)(C)C	ZINC000809616626	940868393	/nfs/dbraw/zinc/86/83/93/940868393.db2.gz	SLLZNKIBVMXHJJ-FQEVSTJZSA-N	1	0	372.469	1.825	20	30		FDEDRO
COc1ccnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)c1	ZINC001086675947	940923548	/nfs/dbraw/zinc/92/35/48/940923548.db2.gz	GOFJJSVLTZEEEO-UONOGXRCSA-N	1	0	353.426	1.978	20	30		FDEDRO
CC(C)OCC[NH+]1CCC(NC(=O)NCCNc2ncccc2C#N)CC1	ZINC000747581494	940926311	/nfs/dbraw/zinc/92/63/11/940926311.db2.gz	PNBMATCSXDHNOR-UHFFFAOYSA-N	1	0	374.489	1.554	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)CC1	ZINC000810047733	940940593	/nfs/dbraw/zinc/94/05/93/940940593.db2.gz	IJZIHAJMMKARCP-OAQYLSRUSA-N	1	0	353.466	1.234	20	30		FDEDRO
COc1cc(C#N)cnc1N(CC(C)(C)[NH3+])S(=O)(=O)c1ccccc1	ZINC001170595706	940948352	/nfs/dbraw/zinc/94/83/52/940948352.db2.gz	NZNJOZMYKWKRRW-UHFFFAOYSA-N	1	0	360.439	1.894	20	30		FDEDRO
CC(C)c1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1C	ZINC001086676514	940948825	/nfs/dbraw/zinc/94/88/25/940948825.db2.gz	HIYROPYTFYXGJP-DZGCQCFKSA-N	1	0	369.473	1.827	20	30		FDEDRO
CC(C)(C)N1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1=O	ZINC001086676780	940949044	/nfs/dbraw/zinc/94/90/44/940949044.db2.gz	VHNASVCBWNVPNK-LXZKKBNFSA-N	1	0	371.485	1.774	20	30		FDEDRO
COc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1	ZINC001086676641	940949102	/nfs/dbraw/zinc/94/91/02/940949102.db2.gz	NFDHVXHYSNASDW-DZGCQCFKSA-N	1	0	353.426	1.978	20	30		FDEDRO
CCn1ncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)n1	ZINC001086690261	941099261	/nfs/dbraw/zinc/09/92/61/941099261.db2.gz	BZTRRIVDFWVFIE-QWHCGFSZSA-N	1	0	358.471	1.919	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3nn(C)cc3C)C2)C1=O	ZINC001086694692	941128688	/nfs/dbraw/zinc/12/86/88/941128688.db2.gz	FJAMZYODFYRHSB-ARFHVFGLSA-N	1	0	359.474	1.004	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1	ZINC000811599586	941144381	/nfs/dbraw/zinc/14/43/81/941144381.db2.gz	AWZFLCXQPCCEHG-AWEZNQCLSA-N	1	0	351.472	1.057	20	30		FDEDRO
C=CCCCCC[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1	ZINC001098480942	941145225	/nfs/dbraw/zinc/14/52/25/941145225.db2.gz	FDTRSFREJHHXTC-SJORKVTESA-N	1	0	351.491	1.140	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)CC(=O)OCCC[NH+]2CCCCC2)cc1	ZINC000747758499	941177391	/nfs/dbraw/zinc/17/73/91/941177391.db2.gz	KJKSSPXOJXWKPA-UHFFFAOYSA-N	1	0	364.467	1.892	20	30		FDEDRO
CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N	ZINC000812196432	941186803	/nfs/dbraw/zinc/18/68/03/941186803.db2.gz	QARYPMRUJDBCPH-SOUVJXGZSA-N	1	0	367.494	1.773	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccccc2C)CC1	ZINC000747817955	941272504	/nfs/dbraw/zinc/27/25/04/941272504.db2.gz	AKLYHQFWJBFCJF-KRWDZBQOSA-N	1	0	355.482	1.803	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)CC1	ZINC000747818368	941273500	/nfs/dbraw/zinc/27/35/00/941273500.db2.gz	NHQPVNWIFVAVBH-CRAIPNDOSA-N	1	0	369.465	1.476	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@H](O)COCc2ccc(OC)cc2)CC1	ZINC000747816393	941274175	/nfs/dbraw/zinc/27/41/75/941274175.db2.gz	CNIOOZFJFLSEFS-SFHVURJKSA-N	1	0	360.454	1.034	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(=O)N[C@@H](C)Cc2ccccc2C)CC1	ZINC000747816432	941274258	/nfs/dbraw/zinc/27/42/58/941274258.db2.gz	DRSXNGNWWPWIRK-KRWDZBQOSA-N	1	0	355.482	1.504	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@@H](O)c2cccc(Br)c2)CC1	ZINC000747823747	941280501	/nfs/dbraw/zinc/28/05/01/941280501.db2.gz	TXRSGLCHMUAUPG-MRXNPFEDSA-N	1	0	365.271	1.944	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)CC1	ZINC000812839927	941282823	/nfs/dbraw/zinc/28/28/23/941282823.db2.gz	CYTHCNKKVMLVBW-HAGHYFMRSA-N	1	0	361.530	1.415	20	30		FDEDRO
CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)o1	ZINC001134052795	941539614	/nfs/dbraw/zinc/53/96/14/941539614.db2.gz	OTVZNBMQIUPKIA-GUYCJALGSA-N	1	0	365.455	1.132	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1cc(F)cc(F)c1	ZINC001134062003	941540899	/nfs/dbraw/zinc/54/08/99/941540899.db2.gz	NNVYLJROPUQBKP-CABCVRRESA-N	1	0	353.369	1.200	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)Nc1ccnn1C(C)C	ZINC001134062295	941541243	/nfs/dbraw/zinc/54/12/43/941541243.db2.gz	WASQEEHJQPCEQV-ZNMIVQPWSA-N	1	0	363.462	1.088	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)N(C)Cc1ccccc1	ZINC001134062392	941541246	/nfs/dbraw/zinc/54/12/46/941541246.db2.gz	YZXXQZWNYLQYBZ-NXHRZFHOSA-N	1	0	359.470	1.330	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cccc(CC)n3)C2)C1=O	ZINC001086718784	941578955	/nfs/dbraw/zinc/57/89/55/941578955.db2.gz	SCLKMVTXDRGBSV-KVSKMBFKSA-N	1	0	370.497	1.919	20	30		FDEDRO
C#Cc1cccc(NC(=S)NCC(=O)NCC[NH+]2CCCCCC2)c1	ZINC000814206676	941587645	/nfs/dbraw/zinc/58/76/45/941587645.db2.gz	DWPCMPIIKZKXNH-UHFFFAOYSA-N	1	0	358.511	1.947	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2scnc2C)C1	ZINC001086720569	941624564	/nfs/dbraw/zinc/62/45/64/941624564.db2.gz	COAVZMSTZCEJEY-BBWFWOEESA-N	1	0	360.527	1.924	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1	ZINC000747981032	941728104	/nfs/dbraw/zinc/72/81/04/941728104.db2.gz	GFKYLUPZVZBZKC-QGZVFWFLSA-N	1	0	362.518	1.812	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1	ZINC000747984348	941734642	/nfs/dbraw/zinc/73/46/42/941734642.db2.gz	TYZWIXKCZNERDX-LJQANCHMSA-N	1	0	370.497	1.330	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1	ZINC000747984007	941737344	/nfs/dbraw/zinc/73/73/44/941737344.db2.gz	LJOUPQVDPRMSDX-BRWVUGGUSA-N	1	0	362.518	1.524	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1	ZINC000747984009	941737731	/nfs/dbraw/zinc/73/77/31/941737731.db2.gz	LJOUPQVDPRMSDX-YESZJQIVSA-N	1	0	362.518	1.524	20	30		FDEDRO
C#CCNC(=O)CC[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1	ZINC000815011142	941752127	/nfs/dbraw/zinc/75/21/27/941752127.db2.gz	BIFIZKHAHHSCNE-UHFFFAOYSA-N	1	0	357.410	1.205	20	30		FDEDRO
C#CCNC(=O)CC[N@@H+](CCC)C1CCN(c2cc(C)nc(C)n2)CC1	ZINC000815070356	941773020	/nfs/dbraw/zinc/77/30/20/941773020.db2.gz	UIXPDWLWKUUFTN-UHFFFAOYSA-N	1	0	357.502	1.914	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(OCC)c(OCC)c1	ZINC000815082141	941777894	/nfs/dbraw/zinc/77/78/94/941777894.db2.gz	BBRVPNBSVCGDHX-UHFFFAOYSA-N	1	0	354.472	1.717	20	30		FDEDRO
CCc1ccc(C#CC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1	ZINC000815391082	941847579	/nfs/dbraw/zinc/84/75/79/941847579.db2.gz	IGSYQIOBKPRFPD-UHFFFAOYSA-N	1	0	353.466	1.367	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)C1=O	ZINC001135026235	941851619	/nfs/dbraw/zinc/85/16/19/941851619.db2.gz	LBEMLQJQGKGYAV-IPMKNSEASA-N	1	0	355.482	1.900	20	30		FDEDRO
C=CCC(F)(F)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000815415964	941852220	/nfs/dbraw/zinc/85/22/20/941852220.db2.gz	JKKSMHFNBFJPSH-UHFFFAOYSA-N	1	0	353.417	1.706	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCN(c2ccccc2)C1=O	ZINC001135067984	941883862	/nfs/dbraw/zinc/88/38/62/941883862.db2.gz	VCMYESHRSAXIAO-FHWLQOOXSA-N	1	0	371.481	1.869	20	30		FDEDRO
N#Cc1ccccc1C[NH2+]CCNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1	ZINC001135138768	941934090	/nfs/dbraw/zinc/93/40/90/941934090.db2.gz	QWPDOTKOVAJHNZ-QZTJIDSGSA-N	1	0	353.426	1.066	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cnn(-c2ccccc2F)c1C	ZINC000815861621	941996917	/nfs/dbraw/zinc/99/69/17/941996917.db2.gz	QURJPPMDPTUIAI-UHFFFAOYSA-N	1	0	371.416	1.330	20	30		FDEDRO
CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](C[NH+]2CCC(C#N)CC2)C1	ZINC000816498731	942230203	/nfs/dbraw/zinc/23/02/03/942230203.db2.gz	JDDANIONNORGFS-MRXNPFEDSA-N	1	0	364.490	1.985	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCNC(=O)C2N=CC=CC2=O)CC[N@@H+](C2CCC2)C1	ZINC000817021689	942457786	/nfs/dbraw/zinc/45/77/86/942457786.db2.gz	QVXLFQZGHLLWCU-JGWKNBOWSA-N	1	0	360.458	1.236	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)cc1	ZINC001086773889	942462180	/nfs/dbraw/zinc/46/21/80/942462180.db2.gz	LBGMUSXFVOBVOE-PKOBYXMFSA-N	1	0	369.465	1.015	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCNC2=O)C1	ZINC001086776999	942474777	/nfs/dbraw/zinc/47/47/77/942474777.db2.gz	YIKGGYRKBQJKHY-VUCTXSBTSA-N	1	0	358.417	1.208	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2c[nH]c(=O)n2C)C1	ZINC001086777190	942476333	/nfs/dbraw/zinc/47/63/33/942476333.db2.gz	GUAFREMRVRYRHT-WDEREUQCSA-N	1	0	357.252	1.522	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1ccncc1	ZINC001170853243	942486172	/nfs/dbraw/zinc/48/61/72/942486172.db2.gz	OYLRMDQTWYQQMU-BPQIPLTHSA-N	1	0	358.486	1.752	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C(N)=O)co3)C2)cc1	ZINC001086800266	942701182	/nfs/dbraw/zinc/70/11/82/942701182.db2.gz	CPFZKHIUKXKWSL-DOTOQJQBSA-N	1	0	366.421	1.938	20	30		FDEDRO
CCOC(=O)C(C)N=Nc1cc(N[C@]([NH3+])(CC)CO)ccc1[N+](=O)[O-]	ZINC001170866648	942758382	/nfs/dbraw/zinc/75/83/82/942758382.db2.gz	VKLCGVDGZGCDCE-YQYFLZKSSA-N	1	0	353.379	1.415	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnc(C3CC3)[nH]2)C1	ZINC001086806110	942800851	/nfs/dbraw/zinc/80/08/51/942800851.db2.gz	BJCOTHDWKNGWON-XZDPQHSOSA-N	1	0	359.474	1.648	20	30		FDEDRO
CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N	ZINC000817779883	942948376	/nfs/dbraw/zinc/94/83/76/942948376.db2.gz	HBAGZZWKSKBZKE-SOUVJXGZSA-N	1	0	365.478	1.481	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c1	ZINC000817786682	942976421	/nfs/dbraw/zinc/97/64/21/942976421.db2.gz	ZASQHSWIRCHXIT-KKSFZXQISA-N	1	0	355.482	1.911	20	30		FDEDRO
C=CCN1C(=S)N=NC1c1sc(NC(=O)C2(C)C[NH2+]C2)nc1C	ZINC000817913267	943075206	/nfs/dbraw/zinc/07/52/06/943075206.db2.gz	XCCIFKCULGMFOP-UHFFFAOYSA-N	1	0	350.473	1.733	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CC2(C[NH3+])CC2)c1	ZINC000817922601	943079179	/nfs/dbraw/zinc/07/91/79/943079179.db2.gz	HYPMSYSAWWXCID-HMMYKYKNSA-N	1	0	364.471	1.567	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]([NH3+])C2CCC2)cc1	ZINC000817923304	943079771	/nfs/dbraw/zinc/07/97/71/943079771.db2.gz	WPSHCVURMIXQSG-WLVMFVESSA-N	1	0	364.471	1.565	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cnoc3CC)C2)C1=O	ZINC001086817958	943139653	/nfs/dbraw/zinc/13/96/53/943139653.db2.gz	KFRBIJXUTVYKNJ-LZWOXQAQSA-N	1	0	360.458	1.512	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(CC)cc2)C[C@H]1O	ZINC001195467907	970971526	/nfs/dbraw/zinc/97/15/26/970971526.db2.gz	XTYGMHVMYKPNOJ-VAMGGRTRSA-N	1	0	358.482	1.637	20	30		FDEDRO
C=CCn1cc(C[NH2+][C@@H](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)nn1	ZINC000818347145	943211648	/nfs/dbraw/zinc/21/16/48/943211648.db2.gz	MSYUMLKOZWMWEU-GOEBONIOSA-N	1	0	365.478	1.968	20	30		FDEDRO
C=CCn1cc(C[NH2+][C@H](C)C[C@H]2COCCN2C(=O)OC(C)(C)C)nn1	ZINC000818347149	943212546	/nfs/dbraw/zinc/21/25/46/943212546.db2.gz	MSYUMLKOZWMWEU-ZBFHGGJFSA-N	1	0	365.478	1.968	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1	ZINC000818593049	943323598	/nfs/dbraw/zinc/32/35/98/943323598.db2.gz	JGRYFDGULNSQNS-FUHWJXTLSA-N	1	0	373.501	1.180	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C1(OC)CCN(C(=O)OC(C)(C)C)CC1	ZINC000818595631	943326879	/nfs/dbraw/zinc/32/68/79/943326879.db2.gz	GINJALRXDCQBBE-UHFFFAOYSA-N	1	0	367.490	1.474	20	30		FDEDRO
COc1cc(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)ccc1OCC(N)=O	ZINC000818961991	943344755	/nfs/dbraw/zinc/34/47/55/943344755.db2.gz	ZIMBHKPGVKKIBE-INIZCTEOSA-N	1	0	355.394	1.254	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]Cc1ccc(S(=O)(=O)N(CC)CC)s1	ZINC000818946156	943357513	/nfs/dbraw/zinc/35/75/13/943357513.db2.gz	ZRMRIZMBARTUPW-UHFFFAOYSA-N	1	0	357.501	1.008	20	30		FDEDRO
COC(=O)N1CCC[C@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000819001272	943379385	/nfs/dbraw/zinc/37/93/85/943379385.db2.gz	AUSGMAXKWBLZGN-AWEZNQCLSA-N	1	0	351.428	1.152	20	30		FDEDRO
CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]CCNc2ncccc2C#N)cc1	ZINC000818974458	943389725	/nfs/dbraw/zinc/38/97/25/943389725.db2.gz	AGESUPLBPJWDEH-QGZVFWFLSA-N	1	0	369.425	1.353	20	30		FDEDRO
CCc1cccc(OC[C@@H](O)C[NH2+]CCNC(=O)C2N=CC=CC2=O)c1	ZINC000819055827	943397204	/nfs/dbraw/zinc/39/72/04/943397204.db2.gz	XZCQJIKNGMFSKU-IJYGLTAASA-N	1	0	359.426	1.105	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]CCCN1CCN(c2cccc(Cl)c2)CC1	ZINC000819033977	943409034	/nfs/dbraw/zinc/40/90/34/943409034.db2.gz	LCRSJMUOLSDPIN-UHFFFAOYSA-N	1	0	362.905	1.581	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[NH2+][C@@H]2CC(=O)N(CCOc3ccccc3)C2)cc1	ZINC000819100508	943421104	/nfs/dbraw/zinc/42/11/04/943421104.db2.gz	HGFXLENXKVHNLS-UYAOXDASSA-N	1	0	365.433	1.861	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[NH2+]CCCN2C(=O)COc3ccccc32)cc1	ZINC000819102136	943421207	/nfs/dbraw/zinc/42/12/07/943421207.db2.gz	DVKPJKHLOONKQN-SFHVURJKSA-N	1	0	351.406	1.997	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1	ZINC000819142408	943438019	/nfs/dbraw/zinc/43/80/19/943438019.db2.gz	ZAQASSUAXJNVQL-CYBMUJFWSA-N	1	0	353.344	1.540	20	30		FDEDRO
C[C@@H]1COCCN1CCNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C	ZINC000819242182	943479073	/nfs/dbraw/zinc/47/90/73/943479073.db2.gz	CAAAJJMYKZNGPG-HUUCEWRRSA-N	1	0	368.478	1.410	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000819254837	943484557	/nfs/dbraw/zinc/48/45/57/943484557.db2.gz	YPCBNWBLRZABJK-ARFHVFGLSA-N	1	0	354.495	1.618	20	30		FDEDRO
Cc1cc(C)c(N2CC[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)C2=O)c(C)c1	ZINC000819257106	943485398	/nfs/dbraw/zinc/48/53/98/943485398.db2.gz	AONJOXKUIAGLKL-ROUUACIJSA-N	1	0	358.486	1.513	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1	ZINC000819221108	943493454	/nfs/dbraw/zinc/49/34/54/943493454.db2.gz	BCVJPRWYSVYDOA-CQSZACIVSA-N	1	0	351.390	1.799	20	30		FDEDRO
C=C[C@H]1C[C@]1(Nc1ncc(C)cc1[C@H]1C[NH2+]C[C@@H]1C(=O)OC)C(=O)OCC	ZINC001170925052	943508721	/nfs/dbraw/zinc/50/87/21/943508721.db2.gz	QPTODIJWYSGDKX-NCLAMWEWSA-N	1	0	373.453	1.786	20	30		FDEDRO
OCC[NH+]1CCC(N=Nc2nc(-c3ccccn3)nc3c2CCC3)CC1	ZINC000819808876	943735434	/nfs/dbraw/zinc/73/54/34/943735434.db2.gz	XESVAIXUWDCZOY-UHFFFAOYSA-N	1	0	352.442	1.883	20	30		FDEDRO
CC[C@@H](C(=O)N[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1O)[NH+](CC)CC	ZINC001090529756	943761814	/nfs/dbraw/zinc/76/18/14/943761814.db2.gz	ABVASBPNFSMPHD-QLFBSQMISA-N	1	0	365.503	1.109	20	30		FDEDRO
C[NH+]=C(NCc1cccc2c1OCO2)N1CCN(c2ccccn2)CC1	ZINC000114069191	971021915	/nfs/dbraw/zinc/02/19/15/971021915.db2.gz	VZIBAFFCGZXFAX-UHFFFAOYSA-N	1	0	353.426	1.708	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)NC(C)(C)C[N@@H+](C)CCC)cc1	ZINC000856283251	971030616	/nfs/dbraw/zinc/03/06/16/971030616.db2.gz	SEYQLAZGFPRFME-UHFFFAOYSA-N	1	0	365.499	1.448	20	30		FDEDRO
C#C[C@H](NC(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1)c1ccc(Cl)cc1	ZINC000820553516	944096077	/nfs/dbraw/zinc/09/60/77/944096077.db2.gz	UCQGBMLFRJMACK-HOCLYGCPSA-N	1	0	363.845	1.761	20	30		FDEDRO
COC(=O)c1ccc(C(=N)Nc2ncc(F)c(C3CC[NH2+]CC3)n2)cc1	ZINC001170980779	944896881	/nfs/dbraw/zinc/89/68/81/944896881.db2.gz	AJVNMCAXTSWKDV-UHFFFAOYSA-N	1	0	357.389	1.906	20	30		FDEDRO
COC(=O)c1ccc(C(=N)Nc2nc(Cl)nc3c2CC[NH2+]CC3)cc1	ZINC001170989109	945037666	/nfs/dbraw/zinc/03/76/66/945037666.db2.gz	ZDGCQLZUENGXRJ-UHFFFAOYSA-N	1	0	359.817	1.642	20	30		FDEDRO
C#CCN(CC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)C(=O)OC(C)(C)C	ZINC000856429005	971146373	/nfs/dbraw/zinc/14/63/73/971146373.db2.gz	CJNPUPDNCVNBIB-MRXNPFEDSA-N	1	0	367.490	1.426	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)c1ccncc1	ZINC000805813491	945469219	/nfs/dbraw/zinc/46/92/19/945469219.db2.gz	JTPXTEIDJVHYDH-QZTJIDSGSA-N	1	0	374.485	1.384	20	30		FDEDRO
N#C[C@H](CCc1ccccc1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC001136743428	945830235	/nfs/dbraw/zinc/83/02/35/945830235.db2.gz	RFEXSBUEYITPFE-PMACEKPBSA-N	1	0	370.497	1.282	20	30		FDEDRO
CC[NH+](CC)CC(=O)N[C@@H]1CN(c2snc(Cl)c2C#N)C[C@H]1C	ZINC001090715804	945954913	/nfs/dbraw/zinc/95/49/13/945954913.db2.gz	WOMBIPTYLYFRQY-ZYHUDNBSSA-N	1	0	355.895	1.951	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C)[NH+]1CCCCC1	ZINC001090722220	945972976	/nfs/dbraw/zinc/97/29/76/945972976.db2.gz	XJOCOIASNHFTEL-MDZRGWNJSA-N	1	0	370.501	1.800	20	30		FDEDRO
N#Cc1cccc(OCC[N@@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c1	ZINC000856539615	971220606	/nfs/dbraw/zinc/22/06/06/971220606.db2.gz	JKDBMHLPLIVMSJ-ZWKOTPCHSA-N	1	0	350.422	1.787	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1	ZINC000824603890	946587861	/nfs/dbraw/zinc/58/78/61/946587861.db2.gz	FFMMUFYGKVKJLN-YJBOKZPZSA-N	1	0	372.469	1.084	20	30		FDEDRO
C#CCCCC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1	ZINC001573284761	946756729	/nfs/dbraw/zinc/75/67/29/946756729.db2.gz	LBHVXSWOXBTCAC-ZDUSSCGKSA-N	1	0	374.470	1.049	20	30		FDEDRO
CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)C3(C#N)CCOCC3)C2)ccn1	ZINC000856634250	971275044	/nfs/dbraw/zinc/27/50/44/971275044.db2.gz	DKDCMECGQSOCEK-GOSISDBHSA-N	1	0	372.469	1.833	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)NCC#N)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1	ZINC000824564902	946804878	/nfs/dbraw/zinc/80/48/78/946804878.db2.gz	YEPXILHZOJETHC-ZDUSSCGKSA-N	1	0	361.409	1.824	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2nnn(Cc3cc(C)on3)c2C)CC1	ZINC001136962493	946854345	/nfs/dbraw/zinc/85/43/45/946854345.db2.gz	NRWBBKGEDQBVTI-UHFFFAOYSA-N	1	0	356.430	1.149	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN([C@@H](C)C(=O)NC(C)(C)C)C[C@H]2O)CC1	ZINC001195876814	971301128	/nfs/dbraw/zinc/30/11/28/971301128.db2.gz	RDNSLGQKVJUNRH-NUEKZKHPSA-N	1	0	351.491	1.197	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573294378	946984893	/nfs/dbraw/zinc/98/48/93/946984893.db2.gz	AHZFDDXMUZTBDH-FZMZJTMJSA-N	1	0	363.853	1.920	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[nH]n2)c1	ZINC001573294876	947002386	/nfs/dbraw/zinc/00/23/86/947002386.db2.gz	LHXPFLFSMCOCJS-UHFFFAOYSA-N	1	0	359.390	1.491	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573565882	947017836	/nfs/dbraw/zinc/01/78/36/947017836.db2.gz	XGWCPYSOYYXGJQ-HIFRSBDPSA-N	1	0	353.430	1.307	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC1	ZINC001573565869	947018869	/nfs/dbraw/zinc/01/88/69/947018869.db2.gz	WYPBBTPNVASJPK-CYBMUJFWSA-N	1	0	366.429	1.240	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1	ZINC001573566062	947020730	/nfs/dbraw/zinc/02/07/30/947020730.db2.gz	ZWOADKRWTAPNJA-LLVKDONJSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573566404	947028015	/nfs/dbraw/zinc/02/80/15/947028015.db2.gz	CFFVQYFBTVIFSG-RISCZKNCSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccccc1-c1nn[nH]n1	ZINC001573567369	947044167	/nfs/dbraw/zinc/04/41/67/947044167.db2.gz	MEYXEYAHNPIBNN-XYPHTWIQSA-N	1	0	365.441	1.592	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1CC	ZINC001573296947	947056893	/nfs/dbraw/zinc/05/68/93/947056893.db2.gz	CDMSPAGORMIKSK-NWDGAFQWSA-N	1	0	363.853	1.778	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F	ZINC001573567944	947060672	/nfs/dbraw/zinc/06/06/72/947060672.db2.gz	VEYBQFNFQAODRE-DOMZBBRYSA-N	1	0	371.420	1.636	20	30		FDEDRO
C=C(Cl)C[NH2+]CC1(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCCCC1	ZINC001573297400	947060824	/nfs/dbraw/zinc/06/08/24/947060824.db2.gz	GSHQGJHRHRVDCY-UHFFFAOYSA-N	1	0	363.853	1.970	20	30		FDEDRO
C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)cc1	ZINC001573297477	947064839	/nfs/dbraw/zinc/06/48/39/947064839.db2.gz	JDRGQMYDFNYIEX-UHFFFAOYSA-N	1	0	371.832	1.967	20	30		FDEDRO
C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)cc1	ZINC001573297723	947066615	/nfs/dbraw/zinc/06/66/15/947066615.db2.gz	KLXAYEGXPXPJJZ-UHFFFAOYSA-N	1	0	371.832	1.967	20	30		FDEDRO
C=CCCC1(C(=O)N[C@@H]2C[N@@H+](CCCCCn3cncn3)C[C@H]2O)CC1	ZINC001195924372	971324195	/nfs/dbraw/zinc/32/41/95/971324195.db2.gz	UVBFWVXCYQNEQZ-IAGOWNOFSA-N	1	0	361.490	1.356	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)[C@H](C)C1	ZINC001573570706	947090862	/nfs/dbraw/zinc/09/08/62/947090862.db2.gz	SDAPVLYDCOPPHP-LALPHHSUSA-N	1	0	371.420	1.350	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@](C)(C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CC1	ZINC001573570885	947097984	/nfs/dbraw/zinc/09/79/84/947097984.db2.gz	WHFUJZBNLXBKNV-BBATYDOGSA-N	1	0	371.420	1.540	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H]1CC12CC[NH+](Cc1cccc(-c3nn[nH]n3)c1)CC2	ZINC001573571737	947102090	/nfs/dbraw/zinc/10/20/90/947102090.db2.gz	AKSKOVPTSTUOIT-CJNGLKHVSA-N	1	0	365.441	1.497	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573571887	947104586	/nfs/dbraw/zinc/10/45/86/947104586.db2.gz	BIAQHYTWPFVYOQ-PKSQDBQZSA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CCCC1	ZINC001573572267	947111242	/nfs/dbraw/zinc/11/12/42/947111242.db2.gz	GMSLZTHQGKYESQ-CXAGYDPISA-N	1	0	367.457	1.791	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC001573573427	947121829	/nfs/dbraw/zinc/12/18/29/947121829.db2.gz	NGFOKDHOSYHNPH-BBRMVZONSA-N	1	0	353.430	1.497	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1	ZINC001573573642	947124124	/nfs/dbraw/zinc/12/41/24/947124124.db2.gz	ORBQFQYVVGLCKL-OCCSQVGLSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1	ZINC001573574440	947130945	/nfs/dbraw/zinc/13/09/45/947130945.db2.gz	RSYGTPVLXJVSNR-IUODEOHRSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC1CC(C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573574735	947132955	/nfs/dbraw/zinc/13/29/55/947132955.db2.gz	UDYLUSIRYHFZET-PKSQDBQZSA-N	1	0	357.393	1.150	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)NC[C@H](CC)Nc1cc(C)[nH+]cc1-c1nn[nH]n1	ZINC001573306262	947170171	/nfs/dbraw/zinc/17/01/71/947170171.db2.gz	JCINUEFBONTSGJ-SCLBCKFNSA-N	1	0	357.462	1.901	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC1CC([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573577776	947172208	/nfs/dbraw/zinc/17/22/08/947172208.db2.gz	SOJYIDJLRYIYEQ-CDWSIMAYSA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCC1	ZINC001573578145	947183057	/nfs/dbraw/zinc/18/30/57/947183057.db2.gz	ZCYWTIBWPMPCDI-NSHDSACASA-N	1	0	357.393	1.294	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(C)=O)C[C@H]2c2ccc(OC)cc2)C1=O	ZINC001090858830	947210521	/nfs/dbraw/zinc/21/05/21/947210521.db2.gz	YZMLZUZZRMQGAN-IPMKNSEASA-N	1	0	357.454	1.386	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C	ZINC001573584344	947219307	/nfs/dbraw/zinc/21/93/07/947219307.db2.gz	UUNXMNIAQOJHBP-XJKCOSOUSA-N	1	0	353.430	1.210	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CC[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573310409	947223886	/nfs/dbraw/zinc/22/38/86/947223886.db2.gz	XQEIAAUJVIHHSJ-KXBFYZLASA-N	1	0	370.457	1.132	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573310681	947226955	/nfs/dbraw/zinc/22/69/55/947226955.db2.gz	ZEKVQQLEUOCBTM-KXBFYZLASA-N	1	0	370.457	1.227	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1	ZINC001573315779	947261142	/nfs/dbraw/zinc/26/11/42/947261142.db2.gz	PJUIZTKCHYCRGA-WBMJQRKESA-N	1	0	355.446	1.593	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2NCc2nncs2)cc1	ZINC001090866753	947357597	/nfs/dbraw/zinc/35/75/97/947357597.db2.gz	ODCGHUVFEREERA-UHOFOFEASA-N	1	0	371.466	1.791	20	30		FDEDRO
C=CCCC(=O)NCC[C@@H](Nc1cc(C)[nH+]cc1-c1nn[nH]n1)C(C)C	ZINC001573327819	947395729	/nfs/dbraw/zinc/39/57/29/947395729.db2.gz	LHHNIJGGSJCAPR-OAHLLOKOSA-N	1	0	357.462	1.901	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1c1ccc(OC)cc1	ZINC001090866278	947399477	/nfs/dbraw/zinc/39/94/77/947399477.db2.gz	AFNCTYOAPRYCQT-DLBZAZTESA-N	1	0	367.453	1.841	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1	ZINC001573328416	947406570	/nfs/dbraw/zinc/40/65/70/947406570.db2.gz	VWRBQIZGGVZDQC-CYBMUJFWSA-N	1	0	355.446	1.911	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C2CCC(O)CC2)C[C@H]1c1ccc(OC)cc1	ZINC001090871180	947424553	/nfs/dbraw/zinc/42/45/53/947424553.db2.gz	WIFYMNBPIRGGGQ-ZYKFHVCXSA-N	1	0	356.466	1.764	20	30		FDEDRO
C=CCCC(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2OC)[C@H]1C	ZINC001573330567	947435404	/nfs/dbraw/zinc/43/54/04/947435404.db2.gz	YYVQDUZQLZUMSJ-CZUORRHYSA-N	1	0	370.457	1.921	20	30		FDEDRO
C=CCCCCC[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1	ZINC001573335088	947472043	/nfs/dbraw/zinc/47/20/43/947472043.db2.gz	LADUQWBHPWEHFS-GOSISDBHSA-N	1	0	373.461	1.108	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(CC(=O)N(C)Cc3ccccc3)C[C@H]2O)C1	ZINC001196019429	971385336	/nfs/dbraw/zinc/38/53/36/971385336.db2.gz	DAZDGZOKPCLLTJ-QZTJIDSGSA-N	1	0	371.481	1.163	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573335934	947492740	/nfs/dbraw/zinc/49/27/40/947492740.db2.gz	GBTCIMCTUXCUDX-OAHLLOKOSA-N	1	0	374.420	1.289	20	30		FDEDRO
C=CCCOCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573336521	947505483	/nfs/dbraw/zinc/50/54/83/947505483.db2.gz	OKKSPAZMSCBOCB-QGZVFWFLSA-N	1	0	370.457	1.540	20	30		FDEDRO
C=CCCOCC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573337320	947516304	/nfs/dbraw/zinc/51/63/04/947516304.db2.gz	VPQHTFDTUFCVAH-INIZCTEOSA-N	1	0	370.457	1.398	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1c1ccc(OC)cc1	ZINC001090874499	947528460	/nfs/dbraw/zinc/52/84/60/947528460.db2.gz	KKZCHQSPZPISTM-DLBZAZTESA-N	1	0	359.470	1.667	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N(CCC)[C@H]2CC[N@H+](C)C2)cc1	ZINC000843986899	947532390	/nfs/dbraw/zinc/53/23/90/947532390.db2.gz	BBDKMEITDHEFBO-INIZCTEOSA-N	1	0	363.483	1.154	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2C)C[C@H]1c1ccc(OC)cc1	ZINC001090877700	947542680	/nfs/dbraw/zinc/54/26/80/947542680.db2.gz	ZSJBUQFKQGHAJQ-YTQUADARSA-N	1	0	369.465	1.223	20	30		FDEDRO
C=CCOCC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1	ZINC001573347300	947571283	/nfs/dbraw/zinc/57/12/83/947571283.db2.gz	BOUIDGKQNCHJAT-STQMWFEESA-N	1	0	359.434	1.028	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1c1ccc(OC)cc1	ZINC001090881951	947611521	/nfs/dbraw/zinc/61/15/21/947611521.db2.gz	VSEJANFOZSQTBN-ZWKOTPCHSA-N	1	0	355.442	1.516	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2cn[nH]c2)C[C@H]1c1ccc(OC)cc1	ZINC001090882523	947619109	/nfs/dbraw/zinc/61/91/09/947619109.db2.gz	HEDPUIBPXGEHRD-RBUKOAKNSA-N	1	0	352.438	1.568	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2C)C[C@H]1c1ccc(OC)cc1	ZINC001090884200	947637645	/nfs/dbraw/zinc/63/76/45/947637645.db2.gz	CPMDKDHPQDZWHR-IPMKNSEASA-N	1	0	371.481	1.776	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cnn(CC)c2)C[C@H]1c1ccc(OC)cc1	ZINC001090884931	947652113	/nfs/dbraw/zinc/65/21/13/947652113.db2.gz	PBOKEVDGBWNOLV-VQTJNVASSA-N	1	0	366.465	1.672	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2nonc2C)C[C@H]1c1ccc(OC)cc1	ZINC001090885320	947661352	/nfs/dbraw/zinc/66/13/52/947661352.db2.gz	YIRYTZALNKOIKA-FUHWJXTLSA-N	1	0	354.410	1.147	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000964005499	1013080166	/nfs/dbraw/zinc/08/01/66/1013080166.db2.gz	XCFGFQZRMDMXJV-DZVNLGKHSA-N	1	0	363.502	1.463	20	30		FDEDRO
CO[C@@H]1CN(c2nc(C)ccc2C#N)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C	ZINC001090905064	947906433	/nfs/dbraw/zinc/90/64/33/947906433.db2.gz	KLRKVTHYNCPHTN-BRWVUGGUSA-N	1	0	359.474	1.168	20	30		FDEDRO
CN(C[C@H](O)C[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1)C(=O)OC(C)(C)C	ZINC000844362327	948013008	/nfs/dbraw/zinc/01/30/08/948013008.db2.gz	YQMGVYQNJHFHFH-IAGOWNOFSA-N	1	0	363.458	1.751	20	30		FDEDRO
CN(C)S(=O)(=O)c1cccc(C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)c1	ZINC000844365804	948016010	/nfs/dbraw/zinc/01/60/10/948016010.db2.gz	FHRMNODKCUUDER-LJQANCHMSA-N	1	0	373.478	1.974	20	30		FDEDRO
CO[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@H]1NC(=O)CCC[NH+](C)C	ZINC001090933990	948035128	/nfs/dbraw/zinc/03/51/28/948035128.db2.gz	ICEYJAHRPNYXLS-GHMZBOCLSA-N	1	0	371.894	1.330	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](OCC)C1	ZINC000844408870	948061910	/nfs/dbraw/zinc/06/19/10/948061910.db2.gz	JTGQNSAPUPEUPR-RRFJBIMHSA-N	1	0	355.479	1.539	20	30		FDEDRO
Cn1cc(C[C@H]2[C@H](N3CCOCC3)CC[N@@H+]2Cc2cncc(C#N)c2)cn1	ZINC001144075159	948189073	/nfs/dbraw/zinc/18/90/73/948189073.db2.gz	KSSJTFWEXPNEHJ-UXHICEINSA-N	1	0	366.469	1.205	20	30		FDEDRO
N#Cc1cncc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCCC3)C2)c1	ZINC001144080109	948200460	/nfs/dbraw/zinc/20/04/60/948200460.db2.gz	VTAOYWKNPIPHJT-QRVBRYPASA-N	1	0	354.454	1.803	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)c2cccc(F)c2)C1	ZINC001196136871	971472405	/nfs/dbraw/zinc/47/24/05/971472405.db2.gz	FDYGJMWYLJXMHO-IAGOWNOFSA-N	1	0	350.434	1.467	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1Nc1ccncc1C#N	ZINC001091010202	948436551	/nfs/dbraw/zinc/43/65/51/948436551.db2.gz	YBDJBPLSAXZZOP-DNVCBOLYSA-N	1	0	364.453	1.555	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC([NH2+]CCc2cnn(CC)c2)C1	ZINC001091034686	948559200	/nfs/dbraw/zinc/55/92/00/948559200.db2.gz	ROVNIDRBQROZFT-GMNCBBECSA-N	1	0	360.502	1.911	20	30		FDEDRO
CC(=O)N[C@@H](CS)C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1	ZINC001144409203	948988890	/nfs/dbraw/zinc/98/88/90/948988890.db2.gz	HXMQASOWHZBFBD-SFHVURJKSA-N	1	0	361.511	1.470	20	30		FDEDRO
CC(=O)N[C@@H](CS)C(=O)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21	ZINC001144406746	949031677	/nfs/dbraw/zinc/03/16/77/949031677.db2.gz	QUTVNGNVDIQZNB-SQNIBIBYSA-N	1	0	361.511	1.544	20	30		FDEDRO
C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OCC1(C#N)CCOCC1	ZINC000845507982	949400497	/nfs/dbraw/zinc/40/04/97/949400497.db2.gz	CHGPYMRREIHRSL-AWEZNQCLSA-N	1	0	369.462	1.695	20	30		FDEDRO
CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C#CC1CC1	ZINC001573811846	949608175	/nfs/dbraw/zinc/60/81/75/949608175.db2.gz	OGOWQIPZIJXTHS-QGZVFWFLSA-N	1	0	366.469	1.901	20	30		FDEDRO
C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O	ZINC001091159409	949855531	/nfs/dbraw/zinc/85/55/31/949855531.db2.gz	GLNKQVRUZBEOHA-AEFFLSMTSA-N	1	0	371.485	1.272	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@H](O)C(F)(F)F)CC2)c1	ZINC000845742580	949873288	/nfs/dbraw/zinc/87/32/88/949873288.db2.gz	YRRPAZHIXSQTET-HNNXBMFYSA-N	1	0	370.375	1.745	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@@H]1O	ZINC001091160621	949880092	/nfs/dbraw/zinc/88/00/92/949880092.db2.gz	FTEWLKVWOYATTK-ZJUUUORDSA-N	1	0	371.894	1.064	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)OC[C@@H]2CC[N@H+](C)[C@@H]2C)cc1	ZINC000845811623	949922441	/nfs/dbraw/zinc/92/24/41/949922441.db2.gz	UTQZTCKCEJPUEU-HIFRSBDPSA-N	1	0	350.440	1.095	20	30		FDEDRO
C#Cc1ccc(C[N@H+]2C[C@@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)cc1	ZINC001144569466	949948096	/nfs/dbraw/zinc/94/80/96/949948096.db2.gz	RRJNVPTVLBYFAK-FQEVSTJZSA-N	1	0	368.477	1.755	20	30		FDEDRO
C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC000845817476	949978206	/nfs/dbraw/zinc/97/82/06/949978206.db2.gz	HUFVFGVVQVNWJC-GUTXKFCHSA-N	1	0	365.455	1.108	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)nnn3C)C2	ZINC001110718803	971636485	/nfs/dbraw/zinc/63/64/85/971636485.db2.gz	FELRWQNHIRLDEE-RKVPGOIHSA-N	1	0	355.442	1.506	20	30		FDEDRO
C=CCOC[C@@H](NC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1)C(=O)OC	ZINC000857199080	971646298	/nfs/dbraw/zinc/64/62/98/971646298.db2.gz	AIDUYQBBKHTBGE-ZWKOTPCHSA-N	1	0	360.454	1.970	20	30		FDEDRO
COC(=O)c1cc(C=NNC(=S)NCCC[NH+](C)C)n2c1CCCC2	ZINC000857208135	971648947	/nfs/dbraw/zinc/64/89/47/971648947.db2.gz	RTCGTWDGOHGMGP-UHFFFAOYSA-N	1	0	365.503	1.361	20	30		FDEDRO
C[C@@H](Cc1cccc(C#N)c1)[NH+]1CC(N2CCN(c3ncccn3)CC2)C1	ZINC001171203143	950296078	/nfs/dbraw/zinc/29/60/78/950296078.db2.gz	JUYUEGZTWDTLEQ-KRWDZBQOSA-N	1	0	362.481	1.786	20	30		FDEDRO
CNC(=O)CO[C@H]1COC2(C1)CC[NH+]([C@@H](C)Cc1cccc(C#N)c1)CC2	ZINC001171213270	950546468	/nfs/dbraw/zinc/54/64/68/950546468.db2.gz	XVYUJKIEHYXCFK-QFBILLFUSA-N	1	0	371.481	1.875	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]2CCN(c3ccnc(C#N)n3)[C@H]2C1	ZINC001091224246	951075891	/nfs/dbraw/zinc/07/58/91/951075891.db2.gz	HGVYMFDVKKXVKS-GJZGRUSLSA-N	1	0	356.474	1.506	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnnn2-c2ccccc2)C1	ZINC001196460853	971716695	/nfs/dbraw/zinc/71/66/95/971716695.db2.gz	MVTQVIOORRWQFY-YXJHDRRASA-N	1	0	355.442	1.397	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(CCC)C2)C1	ZINC001196461112	971716822	/nfs/dbraw/zinc/71/68/22/971716822.db2.gz	OKJWWHROWAPLNL-GVDBMIGSSA-N	1	0	353.507	1.377	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ncc(Cl)n2C)C1	ZINC001091238836	951125870	/nfs/dbraw/zinc/12/58/70/951125870.db2.gz	ICGSMBIKVLDRFD-PQAZSJQKSA-N	1	0	352.866	1.649	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2ncnn2C(C)C)C1	ZINC001091278110	951293884	/nfs/dbraw/zinc/29/38/84/951293884.db2.gz	KWOTTYKORYVUDW-OBQMCRIKSA-N	1	0	361.490	1.825	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CC[NH+]2CCCCC2)c1	ZINC000846613234	951376086	/nfs/dbraw/zinc/37/60/86/951376086.db2.gz	RZKUGOIVRYUXAN-UHFFFAOYSA-N	1	0	363.483	1.156	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)CC3SC(=N)NC3=O)CC2)c1	ZINC000846612764	951377720	/nfs/dbraw/zinc/37/77/20/951377720.db2.gz	ZLXSWNSKXSVOAF-HNNXBMFYSA-N	1	0	371.466	1.195	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H]3CCO[C@H]3C=C)c2)C1	ZINC001091406247	951603301	/nfs/dbraw/zinc/60/33/01/951603301.db2.gz	QJTJYRAQGFXOTB-AQNXPRMDSA-N	1	0	369.465	1.765	20	30		FDEDRO
N#Cc1cccnc1C(=O)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1	ZINC001196554609	971771865	/nfs/dbraw/zinc/77/18/65/971771865.db2.gz	JRDRVNSYAYWVCJ-UHFFFAOYSA-N	1	0	373.420	1.537	20	30		FDEDRO
C#C[C@H]1CCC[N@@H+](C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1	ZINC000847020946	951774683	/nfs/dbraw/zinc/77/46/83/951774683.db2.gz	GWOOHNBLQIXNNL-AZUAARDMSA-N	1	0	357.498	1.523	20	30		FDEDRO
C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001575101930	951866169	/nfs/dbraw/zinc/86/61/69/951866169.db2.gz	KAJPGJXAEDOAHO-LBPRGKRZSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[C@]12CN(C(=O)CCn3cncn3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001091491356	951898094	/nfs/dbraw/zinc/89/80/94/951898094.db2.gz	LNGBZJXIPMMIGQ-QUCCMNQESA-N	1	0	364.453	1.520	20	30		FDEDRO
C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]Cc1cccc(C#N)c1	ZINC001575115504	951964767	/nfs/dbraw/zinc/96/47/67/951964767.db2.gz	XMOKGZFHPLZIKO-GFCCVEGCSA-N	1	0	364.413	1.222	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2C[N@H+](CC(=O)NC3CCCCCC3)C[C@@]2(C)C1	ZINC001091545792	951985437	/nfs/dbraw/zinc/98/54/37/951985437.db2.gz	VIITWIUKNGGSMK-YRNRMSPPSA-N	1	0	360.502	1.765	20	30		FDEDRO
Cc1cnc(C[N@@H+]2C[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@]3(C)C2)cn1	ZINC001091575138	952113882	/nfs/dbraw/zinc/11/38/82/952113882.db2.gz	WQJZJQQGKLJWKC-BEFAXECRSA-N	1	0	350.426	1.579	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@]3(C)C2)cn1	ZINC001091576295	952117923	/nfs/dbraw/zinc/11/79/23/952117923.db2.gz	KTEPHEWSOBUJCM-UZLBHIALSA-N	1	0	365.437	1.884	20	30		FDEDRO
CC(C)[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(C#N)n2)C1)[NH+]1CCCC1	ZINC001091583092	952138571	/nfs/dbraw/zinc/13/85/71/952138571.db2.gz	FOFXVUZKHWBNFH-FRQCXROJSA-N	1	0	370.501	1.587	20	30		FDEDRO
C[C@]12CN(C(=O)C[C@H]3COC(=O)C3)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001091597597	952196827	/nfs/dbraw/zinc/19/68/27/952196827.db2.gz	CSKRJHVVVHHHAS-FPDPHYFHSA-N	1	0	367.449	1.792	20	30		FDEDRO
C[C@]12CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]1C[N@H+](C[C@H]1CCNC(=O)CC1)C2	ZINC001091604756	952228090	/nfs/dbraw/zinc/22/80/90/952228090.db2.gz	NPFMAZGADLWVKK-SXGZJXTBSA-N	1	0	369.469	1.197	20	30		FDEDRO
C[NH+]1CCC(CC(=O)NC[C@H]2CC[C@@H](Nc3cnc(C#N)cn3)C2)CC1	ZINC001091607437	952257696	/nfs/dbraw/zinc/25/76/96/952257696.db2.gz	QVDYNMUSQYXNBH-JKSUJKDBSA-N	1	0	356.474	1.777	20	30		FDEDRO
C[NH+]1CCC(CC(=O)NC[C@H]2CC[C@@H](Nc3ccncc3C#N)C2)CC1	ZINC001091607691	952258511	/nfs/dbraw/zinc/25/85/11/952258511.db2.gz	ZQDASDQNDKRGIO-FUHWJXTLSA-N	1	0	355.486	1.804	20	30		FDEDRO
Cn1nccc1CC(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@]2(C)C1	ZINC001091629620	952384356	/nfs/dbraw/zinc/38/43/56/952384356.db2.gz	GHCQZURGFRLPGY-NQIIRXRSSA-N	1	0	363.465	1.815	20	30		FDEDRO
C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(-n2cncn2)cc1	ZINC000772981551	952403107	/nfs/dbraw/zinc/40/31/07/952403107.db2.gz	FPRNNHNWYDPDES-FKEVTRRJSA-N	1	0	352.398	1.444	20	30		FDEDRO
Cc1cc(C#N)nc(N[C@@H]2CC[C@H](CNC(=O)C[N@H+]3CC[C@@H](C)C3)C2)n1	ZINC001091637173	952418200	/nfs/dbraw/zinc/41/82/00/952418200.db2.gz	PWBGCFQTLIQUCS-VNQPRFMTSA-N	1	0	356.474	1.695	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@@]3(C)C2)o1	ZINC001091644941	952471593	/nfs/dbraw/zinc/47/15/93/952471593.db2.gz	LNIOVOAKAIURRA-XLIONFOSSA-N	1	0	365.437	1.773	20	30		FDEDRO
C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc2c(c1)CCC(=O)N2	ZINC000772984544	952502876	/nfs/dbraw/zinc/50/28/76/952502876.db2.gz	OIXOKACDGOBQDA-RUWSDDDDSA-N	1	0	354.410	1.748	20	30		FDEDRO
CC[C@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1	ZINC001091656146	952530461	/nfs/dbraw/zinc/53/04/61/952530461.db2.gz	VPEIADJCBBZCQO-DXIQSLLYSA-N	1	0	371.525	1.971	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H]2CN(C(=O)c3cn([C@H](C)COC)nc3C)C[C@]2(C)C1	ZINC001091670400	952579060	/nfs/dbraw/zinc/57/90/60/952579060.db2.gz	MAHOLKCMEPCILL-MDYRTPRTSA-N	1	0	358.486	1.816	20	30		FDEDRO
COc1cccc(NC(=O)C[C@@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)c1	ZINC000772985088	952581307	/nfs/dbraw/zinc/58/13/07/952581307.db2.gz	QWPGIMPBWJAZAQ-LTFJSZEESA-N	1	0	372.425	1.528	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CCOCCOC)C2	ZINC001148418495	952724970	/nfs/dbraw/zinc/72/49/70/952724970.db2.gz	NFMVDMYCGSOPDP-ROUUACIJSA-N	1	0	366.502	1.555	20	30		FDEDRO
COCC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3cccc(OC)c3)C2)C1	ZINC001148418325	952725048	/nfs/dbraw/zinc/72/50/48/952725048.db2.gz	GTSNVOPFYHUWJY-VQTJNVASSA-N	1	0	368.477	1.983	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)c3cc(=O)[nH]c4ncn(C)c43)C[C@]2(C)C1	ZINC001091729920	952747766	/nfs/dbraw/zinc/74/77/66/952747766.db2.gz	OAVYOJMGEXCOFL-YJYMSZOUSA-N	1	0	355.442	1.644	20	30		FDEDRO
C[C@]12CN(C(=O)C[C@@H]3CCNC3=O)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001091734611	952761315	/nfs/dbraw/zinc/76/13/15/952761315.db2.gz	YJCQVXALBBOLTR-JQVVWYNYSA-N	1	0	365.477	1.345	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN3c3ncccn3)C[C@]2(C)C1	ZINC001091749178	952788433	/nfs/dbraw/zinc/78/84/33/952788433.db2.gz	CWZXLBAEFFHPPF-HLIPFELVSA-N	1	0	355.486	1.802	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3ocnc3C)C[C@@]2(C)C1	ZINC001091749942	952789319	/nfs/dbraw/zinc/78/93/19/952789319.db2.gz	UHLRQKQXBKGZAL-UWVAXJGDSA-N	1	0	356.470	1.361	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@]3(C4CCCC4)CCNC3=O)C[C@]2(C)C1	ZINC001091750251	952790536	/nfs/dbraw/zinc/79/05/36/952790536.db2.gz	BDCHZHHICUFSAJ-JRGCBEDISA-N	1	0	357.498	1.487	20	30		FDEDRO
CC(C)(CCC#N)c1ccc(C(=O)NCCN(CC[NH3+])N(O)N=O)cc1	ZINC001148911951	952817795	/nfs/dbraw/zinc/81/77/95/952817795.db2.gz	AOGSEMITKKZSKS-UHFFFAOYSA-N	1	0	362.434	1.546	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]C[C@H]2CCOC2)C1	ZINC001086855725	952867730	/nfs/dbraw/zinc/86/77/30/952867730.db2.gz	PKMDYGSTNZWBRR-GVDBMIGSSA-N	1	0	357.454	1.618	20	30		FDEDRO
N#Cc1cccc(-n2ccc(C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)n2)c1	ZINC000282825500	952867786	/nfs/dbraw/zinc/86/77/86/952867786.db2.gz	RWIXVQVOKQTSLS-KRWDZBQOSA-N	1	0	365.437	1.538	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3CC)C2)nc1	ZINC001086856397	952902963	/nfs/dbraw/zinc/90/29/63/952902963.db2.gz	XQBLEFKFWBESCE-JKSUJKDBSA-N	1	0	352.442	1.363	20	30		FDEDRO
Cn1nc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)ccc1=O	ZINC001086870419	952917992	/nfs/dbraw/zinc/91/79/92/952917992.db2.gz	DKTJZQVJJLFLEU-QWHCGFSZSA-N	1	0	371.466	1.402	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccc(F)cn2)C1	ZINC001086970652	952971966	/nfs/dbraw/zinc/97/19/66/952971966.db2.gz	CEEIPLGWUIOBDB-AFAVFJNCSA-N	1	0	356.405	1.198	20	30		FDEDRO
CCc1onc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1c1cnn(C)c1	ZINC001086971502	952974252	/nfs/dbraw/zinc/97/42/52/952974252.db2.gz	QLYLTSQGNXWIDH-OAUYIBNBSA-N	1	0	370.457	1.523	20	30		FDEDRO
Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2c2cnn(C)c2)sn1	ZINC001086971449	952974337	/nfs/dbraw/zinc/97/43/37/952974337.db2.gz	OFJBFZXVCQGCKB-KNXALSJPSA-N	1	0	358.471	1.429	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1cnn(C)c1)c1cnccn1	ZINC001086978409	952990540	/nfs/dbraw/zinc/99/05/40/952990540.db2.gz	VJTOGQXDSFPGCC-DKSSEZFCSA-N	1	0	364.453	1.269	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccnn2C2CCC2)C[C@H]1c1cnn(C)c1	ZINC001086979270	952992685	/nfs/dbraw/zinc/99/26/85/952992685.db2.gz	RTUUORQPEHRBDB-DLBZAZTESA-N	1	0	352.442	1.173	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@H]2Cc3ccccc3O2)C[C@H]1c1cnn(C)c1	ZINC001086979709	952993601	/nfs/dbraw/zinc/99/36/01/952993601.db2.gz	NTHQBQJELGUMMP-CEXWTWQISA-N	1	0	366.465	1.884	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC(=C)C)C1	ZINC001086979704	952993634	/nfs/dbraw/zinc/99/36/34/952993634.db2.gz	NMSPZYMFJYRLMK-HCXYKTFWSA-N	1	0	358.486	1.861	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc3cccn3cn2)C[C@H]1c1cnn(C)c1	ZINC001086983732	952997716	/nfs/dbraw/zinc/99/77/16/952997716.db2.gz	FLTAYGSEAHVWQC-PKOBYXMFSA-N	1	0	364.453	1.842	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH]ccc-3n2)C[C@H]1c1cnn(C)c1	ZINC001086984708	952999581	/nfs/dbraw/zinc/99/95/81/952999581.db2.gz	YYHZUHXWPOEYJK-MAUKXSAKSA-N	1	0	350.426	1.680	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCc2cncc(OC)c2)C[C@H]1c1cnn(C)c1	ZINC001086986941	953008078	/nfs/dbraw/zinc/00/80/78/953008078.db2.gz	QFWOBXVCJROGHH-RBUKOAKNSA-N	1	0	369.469	1.527	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2cnn(C)c2)C[C@H]1c1cnn(C)c1	ZINC001086988310	953012212	/nfs/dbraw/zinc/01/22/12/953012212.db2.gz	PPRBIHWVXOGOTR-JCGIZDLHSA-N	1	0	356.474	1.417	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2[C@H]2CCOC2)C[C@H]1c1cnn(C)c1	ZINC001086989449	953014408	/nfs/dbraw/zinc/01/44/08/953014408.db2.gz	BCKZXYMWSMDHHU-RRQGHBQHSA-N	1	0	370.457	1.031	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cncnc2)C[C@H]1c1cnn(C)c1	ZINC001086993121	953026181	/nfs/dbraw/zinc/02/61/81/953026181.db2.gz	HYFXKLZZTIBPGU-JCGIZDLHSA-N	1	0	354.458	1.474	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(F)c(F)c2)C[C@H]1c1cnn(C)c1	ZINC001086993726	953027452	/nfs/dbraw/zinc/02/74/52/953027452.db2.gz	OKVVGUPTLDAKIV-MAUKXSAKSA-N	1	0	358.392	1.458	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(C)nc(OC)c2)C[C@H]1c1cnn(C)c1	ZINC001086993649	953027578	/nfs/dbraw/zinc/02/75/78/953027578.db2.gz	KIJAPIRJNDMJEJ-ZWKOTPCHSA-N	1	0	369.469	1.906	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn(C(C)(C)C)c2C)C[C@H]1c1cnn(C)c1	ZINC001086981669	953033410	/nfs/dbraw/zinc/03/34/10/953033410.db2.gz	XEVQRGRXFAITSA-ZWKOTPCHSA-N	1	0	368.485	1.511	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cn(C(C)(C)C)nn2)C[C@H]1c1cnn(C)c1	ZINC001086981742	953033495	/nfs/dbraw/zinc/03/34/95/953033495.db2.gz	ANRGSMCIBRTONA-JKSUJKDBSA-N	1	0	371.489	1.541	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc(OCC)c2)C[C@H]1c1cnn(C)c1	ZINC001086999668	953048246	/nfs/dbraw/zinc/04/82/46/953048246.db2.gz	PTYXLSJELBGNKR-RBUKOAKNSA-N	1	0	352.438	1.650	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ncccc2OCC=C)C[C@H]1c1cnn(C)c1	ZINC001087005154	953063749	/nfs/dbraw/zinc/06/37/49/953063749.db2.gz	OAUUEXGXNMHEEV-DLBZAZTESA-N	1	0	365.437	1.211	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccnc(OCC)c2)C[C@H]1c1cnn(C)c1	ZINC001086995733	953068874	/nfs/dbraw/zinc/06/88/74/953068874.db2.gz	TUMCLFUVWRAYSR-ZWKOTPCHSA-N	1	0	369.469	1.988	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087020217	953082356	/nfs/dbraw/zinc/08/23/56/953082356.db2.gz	IOLVQLWVNACOOV-IEBWSBKVSA-N	1	0	365.437	1.615	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](OC)c2ccccc2)C[C@H]1c1cnn(C)c1	ZINC001087006461	953090735	/nfs/dbraw/zinc/09/07/35/953090735.db2.gz	CPRGTIAYSYUVTL-IPMKNSEASA-N	1	0	352.438	1.325	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CC(C)(C)CO2)C[C@H]1c1cnn(C)c1	ZINC001087007111	953091892	/nfs/dbraw/zinc/09/18/92/953091892.db2.gz	NIKHVRGMSCUWOY-OKZBNKHCSA-N	1	0	358.486	1.533	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2ccccc2)C[C@H]1c1cnn(C)c1	ZINC001087007998	953094213	/nfs/dbraw/zinc/09/42/13/953094213.db2.gz	HBOXGPWSKZAFEH-ZYSHUDEJSA-N	1	0	352.438	1.405	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccccc2N(C)C)C[C@H]1c1cnn(C)c1	ZINC001087012346	953106307	/nfs/dbraw/zinc/10/63/07/953106307.db2.gz	SEUOSCBMJRUIRS-ZWKOTPCHSA-N	1	0	353.470	1.870	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C)C2CCOCC2)C[C@H]1c1cnn(C)c1	ZINC001087012508	953106825	/nfs/dbraw/zinc/10/68/25/953106825.db2.gz	BBADJHRLEDRLIM-AYOQOUSVSA-N	1	0	360.502	1.943	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnc(C(C)(C)C)nc2)C[C@H]1c1cnn(C)c1	ZINC001087012386	953107096	/nfs/dbraw/zinc/10/70/96/953107096.db2.gz	UYQVINWSNKLQLD-DLBZAZTESA-N	1	0	368.485	1.891	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C(CC)CC)C[C@H]2OCC)C1=O	ZINC001087027993	953115948	/nfs/dbraw/zinc/11/59/48/953115948.db2.gz	QNSLQGWRKRSBDU-FGTMMUONSA-N	1	0	365.518	1.663	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1ccnc(Cl)c1	ZINC001087035528	953145230	/nfs/dbraw/zinc/14/52/30/953145230.db2.gz	CXNMBVSPTVWEKO-NWANDNLSSA-N	1	0	350.850	1.848	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1ncnn1C(C)(C)C	ZINC001087035737	953145652	/nfs/dbraw/zinc/14/56/52/953145652.db2.gz	LFCOJYZLPGXRAO-RRFJBIMHSA-N	1	0	362.478	1.146	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1c(C)nn(C)c1Cl	ZINC001087035723	953145710	/nfs/dbraw/zinc/14/57/10/953145710.db2.gz	KXGNVBREQUAIQA-NJZAAPMLSA-N	1	0	367.881	1.495	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1noc2c1CCCC2	ZINC001087035784	953145764	/nfs/dbraw/zinc/14/57/64/953145764.db2.gz	MRNBAVJBJVWNHK-HBUWYVDXSA-N	1	0	360.458	1.666	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1cccc2c1CCOC2	ZINC001087036003	953146215	/nfs/dbraw/zinc/14/62/15/953146215.db2.gz	VCNYRPMPLBNUCC-QKYXUNIQSA-N	1	0	371.481	1.872	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C3CC=CC3)C[C@H]2OCC)C1=O	ZINC001087037976	953151407	/nfs/dbraw/zinc/15/14/07/953151407.db2.gz	LMSBREVBNAXLAN-FGTMMUONSA-N	1	0	361.486	1.193	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1coc(C)n1	ZINC001087040020	953156270	/nfs/dbraw/zinc/15/62/70/953156270.db2.gz	OAAKIHJQLQDWCG-RHSMWYFYSA-N	1	0	357.414	1.450	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](OC)C2CC2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087050196	953177233	/nfs/dbraw/zinc/17/72/33/953177233.db2.gz	PMZVUNAEBHVPLG-VAMGGRTRSA-N	1	0	371.481	1.936	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1cc(C2CC2)no1	ZINC001087052906	953184407	/nfs/dbraw/zinc/18/44/07/953184407.db2.gz	QDCODULKDUDOKB-VQIMIIECSA-N	1	0	357.454	1.919	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1nccn1CC	ZINC001087045948	953192633	/nfs/dbraw/zinc/19/26/33/953192633.db2.gz	BLROCLPCILUBPQ-RHSMWYFYSA-N	1	0	370.457	1.370	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1cncs1	ZINC001087046030	953193132	/nfs/dbraw/zinc/19/31/32/953193132.db2.gz	GGXXAHQFQOAVLA-MLGOLLRUSA-N	1	0	359.455	1.610	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1nocc1C	ZINC001087047212	953195860	/nfs/dbraw/zinc/19/58/60/953195860.db2.gz	YVAJLZQILKXBOZ-RHSMWYFYSA-N	1	0	357.414	1.450	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C(C)(C)C=C)C[C@H]2OCC)C1=O	ZINC001087072192	953227047	/nfs/dbraw/zinc/22/70/47/953227047.db2.gz	WGKMHHIOQNIDGY-BRWVUGGUSA-N	1	0	363.502	1.439	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ncccn2)[C@H](OCC)C1	ZINC001087091172	953254855	/nfs/dbraw/zinc/25/48/55/953254855.db2.gz	ZBBYZAXQDTYMBJ-NTDBWNAOSA-N	1	0	374.485	1.411	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)C4(C5CC5)CC4)C[C@]3(C)C2)C1=O	ZINC001091767518	953290254	/nfs/dbraw/zinc/29/02/54/953290254.db2.gz	IVGBQFZVIKZRSL-UWVAXJGDSA-N	1	0	357.498	1.744	20	30		FDEDRO
C[C@]12CN(C(=O)c3cnc[nH]c3=O)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001091771163	953295178	/nfs/dbraw/zinc/29/51/78/953295178.db2.gz	WJRCRFKBWZXRHZ-UZLBHIALSA-N	1	0	363.421	1.648	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cnc4ccccn4c3=O)C[C@]2(C)C1	ZINC001091791587	953313049	/nfs/dbraw/zinc/31/30/49/953313049.db2.gz	KIHQVONXZHCZBV-QRWLVFNGSA-N	1	0	350.422	1.112	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cn4c(n3)C[C@@H](OC)CC4)C[C@]2(C)C1	ZINC001091779738	953353815	/nfs/dbraw/zinc/35/38/15/953353815.db2.gz	HXLZVJKMMDEKOB-GUXCAODWSA-N	1	0	356.470	1.262	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc(CNC(C)=O)cc3)C[C@]2(C)C1	ZINC001091828581	953508281	/nfs/dbraw/zinc/50/82/81/953508281.db2.gz	RGRMPVIYNQPODC-CTNGQTDRSA-N	1	0	353.466	1.740	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N1C[C@H]2CCN(c3ccc(C#N)nc3)C[C@H]2C1	ZINC001091857043	953566707	/nfs/dbraw/zinc/56/67/07/953566707.db2.gz	VQEHSMJQAPKJBD-SJORKVTESA-N	1	0	355.486	1.970	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1C[C@H]2CCN(c3cc(C)ncc3C#N)C[C@H]2C1	ZINC001091858592	953576906	/nfs/dbraw/zinc/57/69/06/953576906.db2.gz	TWPWORNLVMVXHE-AEFFLSMTSA-N	1	0	355.486	1.888	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(-n4cnnn4)cn3)C[C@]2(C)C1	ZINC001091879362	953651471	/nfs/dbraw/zinc/65/14/71/953651471.db2.gz	JHPHOEDEIYPMMY-BEFAXECRSA-N	1	0	367.457	1.417	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C[C@H]1C[N@H+](Cc1cc(C#N)ccc1F)C2	ZINC001091937365	953786014	/nfs/dbraw/zinc/78/60/14/953786014.db2.gz	AAKZJPTZJSHUSE-KFHRBPSFSA-N	1	0	369.440	1.870	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3COCCN3C3CCCC3)C[C@]2(C)C1	ZINC001091946882	953811394	/nfs/dbraw/zinc/81/13/94/953811394.db2.gz	PPEVJMYFQBKYBV-QFUCXCTJSA-N	1	0	361.530	1.986	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ccn(CC)n4)C[C@]3(C)C2)C1=O	ZINC001092069501	954204519	/nfs/dbraw/zinc/20/45/19/954204519.db2.gz	PJMISFZNHCXOMZ-MDYRTPRTSA-N	1	0	371.485	1.084	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3C[N@H+](Cc4ccccn4)C[C@@]3(C)C2)nn1	ZINC001092082373	954229772	/nfs/dbraw/zinc/22/97/72/954229772.db2.gz	WCWRMYLNJLONRP-BEFAXECRSA-N	1	0	352.442	1.453	20	30		FDEDRO
C[C@]12CN(C(=O)Cc3ncc[nH]3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1F)C2	ZINC001092138501	954445766	/nfs/dbraw/zinc/44/57/66/954445766.db2.gz	ZWNZSNAFGNEIEA-UZLBHIALSA-N	1	0	367.428	1.943	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3cn(C4CCOCC4)nn3)C[C@]2(C)C1	ZINC001092180426	954471889	/nfs/dbraw/zinc/47/18/89/954471889.db2.gz	UTOCDZSUFCZNGA-BEFAXECRSA-N	1	0	359.474	1.600	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@H]2C[N@@H+](Cc3cncn3C)C[C@@]2(C)C1	ZINC001092232709	954582383	/nfs/dbraw/zinc/58/23/83/954582383.db2.gz	ZBBLLMRHCHUCTN-KNQAVFIVSA-N	1	0	362.477	1.924	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccccc3-n3cnnn3)C[C@]2(C)C1	ZINC001092266657	954635491	/nfs/dbraw/zinc/63/54/91/954635491.db2.gz	GHYUMMKGQZIVHY-BEFAXECRSA-N	1	0	352.442	1.632	20	30		FDEDRO
C[C@]12CN(C(=O)Cn3cncn3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1F)C2	ZINC001092256135	954717461	/nfs/dbraw/zinc/71/74/61/954717461.db2.gz	HHUJDSSPFRFZMG-APWZRJJASA-N	1	0	368.416	1.269	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)CN3CCc4sccc4C3)C[C@]2(C)C1	ZINC001092297276	954732664	/nfs/dbraw/zinc/73/26/64/954732664.db2.gz	RQOFJXVEFVFJRF-XLIONFOSSA-N	1	0	357.523	1.910	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H]2CN(C(=O)c3ccc(NC(=O)NC)cc3)C[C@]2(C)C1	ZINC001092311101	954788070	/nfs/dbraw/zinc/78/80/70/954788070.db2.gz	JEQCMPVDRKSMTF-UZLBHIALSA-N	1	0	354.454	1.855	20	30		FDEDRO
C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@]13CCC[C@H]1OCC3)c1nccn12	ZINC001092380981	954973194	/nfs/dbraw/zinc/97/31/94/954973194.db2.gz	NIADQKJXVSYWDQ-YRNRMSPPSA-N	1	0	356.470	1.990	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC2(C[NH+](CC3CCC3)C2)n2ccnc21	ZINC001092396429	955001632	/nfs/dbraw/zinc/00/16/32/955001632.db2.gz	BWECVMFWMCONFG-IKGGRYGDSA-N	1	0	356.470	1.846	20	30		FDEDRO
CC(C)[C@@H](C(=O)NC[C@@H]1CN(c2nccnc2C#N)C[C@H]1C)[NH+]1CCCC1	ZINC001092373113	955045823	/nfs/dbraw/zinc/04/58/23/955045823.db2.gz	RMDDXWRZCUZAEZ-NUJGCVRESA-N	1	0	370.501	1.657	20	30		FDEDRO
CC(C)[C@H](C(=O)NC[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C)[NH+]1CCCC1	ZINC001092372884	955045872	/nfs/dbraw/zinc/04/58/72/955045872.db2.gz	LYOGXUMSVPPLKU-GPMSIDNRSA-N	1	0	370.501	1.657	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C	ZINC001092411768	955139245	/nfs/dbraw/zinc/13/92/45/955139245.db2.gz	OWYGVFIWLDAVPI-FMKPAKJESA-N	1	0	362.453	1.217	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)c1nccnc1N	ZINC001092514595	955297598	/nfs/dbraw/zinc/29/75/98/955297598.db2.gz	PPNSBCROFUAPBJ-IUODEOHRSA-N	1	0	368.416	1.567	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@@H]1CN(C)CCO1	ZINC001092522407	955314176	/nfs/dbraw/zinc/31/41/76/955314176.db2.gz	OQGHGPIAORCPCL-LZQZEXGQSA-N	1	0	356.470	1.073	20	30		FDEDRO
COc1cncc(C[N@H+]2C[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)n1	ZINC001092527527	955335887	/nfs/dbraw/zinc/33/58/87/955335887.db2.gz	NXNGAJJFTJMWSO-TZMCWYRMSA-N	1	0	354.414	1.183	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCOC2)[C@H](C)C1	ZINC001092491698	955344457	/nfs/dbraw/zinc/34/44/57/955344457.db2.gz	FFCWZELPHRSKBE-QGPMSJSTSA-N	1	0	357.454	1.787	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)c1cn(C)cn1	ZINC001092545025	955372498	/nfs/dbraw/zinc/37/24/98/955372498.db2.gz	CJQDGVBPPIWUEM-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CCNC(=O)[C@H](C1CC1)[NH+](C)C	ZINC001092550327	955397798	/nfs/dbraw/zinc/39/77/98/955397798.db2.gz	UIDYNSPWVBROPF-UNEWFSDZSA-N	1	0	356.474	1.267	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CCNC(=O)C1([NH+](C)C)CCC1	ZINC001092550081	955398168	/nfs/dbraw/zinc/39/81/68/955398168.db2.gz	HVMPMSFTQFSDES-HUUCEWRRSA-N	1	0	356.474	1.411	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(c3ccccc3)CC2(C)C)C1	ZINC001197130010	972092530	/nfs/dbraw/zinc/09/25/30/972092530.db2.gz	DXHLVCDPOJAPLJ-OPYAIIAOSA-N	1	0	358.482	1.718	20	30		FDEDRO
C[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC001092551184	955400972	/nfs/dbraw/zinc/40/09/72/955400972.db2.gz	OVFKYFXYMNJHQB-HBUWYVDXSA-N	1	0	369.469	1.337	20	30		FDEDRO
CCn1nnc(C)c1C[N@H+]1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)[C@H](C)C1	ZINC001092551090	955401009	/nfs/dbraw/zinc/40/10/09/955401009.db2.gz	ISZYBGUOWYAHPX-TZMCWYRMSA-N	1	0	355.446	1.304	20	30		FDEDRO
COc1ccnc(C[N@H+]2C[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)c1	ZINC001092551954	955406789	/nfs/dbraw/zinc/40/67/89/955406789.db2.gz	FLVPQMFPGQXKDB-UKRRQHHQSA-N	1	0	353.426	1.788	20	30		FDEDRO
CC(C)N1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)C1=O	ZINC001092554994	955424815	/nfs/dbraw/zinc/42/48/15/955424815.db2.gz	MGHYJJDXWHXFCU-UNEWFSDZSA-N	1	0	357.458	1.193	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)c1cncnc1	ZINC001092560131	955452719	/nfs/dbraw/zinc/45/27/19/955452719.db2.gz	HVDHZZNBFLONKO-CXAGYDPISA-N	1	0	353.401	1.985	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2CN(c3nccnc3C#N)C[C@H]2C)CC[N@@H+]1C	ZINC001092598388	955604582	/nfs/dbraw/zinc/60/45/82/955604582.db2.gz	ZSMXCBCFGQEFPH-XLMAVXFVSA-N	1	0	370.501	1.657	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CCNC(=O)CC[C@@H]1CCC[N@@H+]1C	ZINC001092598826	955608274	/nfs/dbraw/zinc/60/82/74/955608274.db2.gz	ZAEKRUOXPJSZBJ-ZACQAIPSSA-N	1	0	370.501	1.801	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CCNC(=O)C1(C[NH+](C)C)CC1	ZINC001092574491	955692820	/nfs/dbraw/zinc/69/28/20/955692820.db2.gz	JVRGZDROHKMKEU-HUUCEWRRSA-N	1	0	356.474	1.269	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1C	ZINC001092615557	955824501	/nfs/dbraw/zinc/82/45/01/955824501.db2.gz	GWHKUNDNNUHJEO-TVFCKZIOSA-N	1	0	363.502	1.274	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1CCNc1cnc(C#N)cn1	ZINC001092619013	955843023	/nfs/dbraw/zinc/84/30/23/955843023.db2.gz	ZYDWPVIXTFYSAI-HZPDHXFCSA-N	1	0	358.490	1.977	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](CCOC[C@H]2CCCCO2)CC1	ZINC001197195511	972136591	/nfs/dbraw/zinc/13/65/91/972136591.db2.gz	DUEOHGCQDWZWEH-QRVBRYPASA-N	1	0	366.502	1.698	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2cc(=O)[nH]c3ncn(C)c32)[C@H](C)C1	ZINC001092672929	955978259	/nfs/dbraw/zinc/97/82/59/955978259.db2.gz	WTBHGQSLRUTYAB-ZYHUDNBSSA-N	1	0	363.849	1.724	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1C	ZINC001092677930	955996743	/nfs/dbraw/zinc/99/67/43/955996743.db2.gz	QSOCDYTUINGAGE-BRWVUGGUSA-N	1	0	368.485	1.751	20	30		FDEDRO
CC(C)[N@H+](C)CC(=O)NC[C@]12CCC[C@H]1N(c1ccnc(C#N)n1)CC2	ZINC001092698454	956074822	/nfs/dbraw/zinc/07/48/22/956074822.db2.gz	XSRDJDFKQCZJAN-DNVCBOLYSA-N	1	0	356.474	1.554	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CCCNC1=O	ZINC001092699127	956079377	/nfs/dbraw/zinc/07/93/77/956079377.db2.gz	DPMXYQOAIUPZNE-QRQLOZEOSA-N	1	0	353.466	1.248	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@@H]1CCCNC1=O	ZINC001092699743	956083048	/nfs/dbraw/zinc/08/30/48/956083048.db2.gz	QTHWMYGQCBRVKA-ZTFGCOKTSA-N	1	0	354.454	1.269	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@H]1CCCC(=O)N1	ZINC001092707349	956129951	/nfs/dbraw/zinc/12/99/51/956129951.db2.gz	CVMCQMHICDXJSV-ZTFGCOKTSA-N	1	0	354.454	1.411	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)c1cnc[nH]c1=O	ZINC001092711052	956144115	/nfs/dbraw/zinc/14/41/15/956144115.db2.gz	LWZFCNYDONFFDF-GDBMZVCRSA-N	1	0	368.412	1.671	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)c1cnc[nH]c1=O	ZINC001092711057	956144405	/nfs/dbraw/zinc/14/44/05/956144405.db2.gz	MCJZVXMFDRZJBN-NVXWUHKLSA-N	1	0	350.422	1.532	20	30		FDEDRO
C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1N(c1ncc(C#N)cc1F)CC2	ZINC001092711731	956145666	/nfs/dbraw/zinc/14/56/66/956145666.db2.gz	DWXPVPRZEBESPG-VQIMIIECSA-N	1	0	359.449	1.909	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2oc(C)nc2C)C[C@H]1C	ZINC001092689585	956196104	/nfs/dbraw/zinc/19/61/04/956196104.db2.gz	NBQQHISEESPASX-OLMNPRSZSA-N	1	0	358.486	1.573	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1C	ZINC001092690032	956199606	/nfs/dbraw/zinc/19/96/06/956199606.db2.gz	XKCSGSCXMOGGLZ-NUJGCVRESA-N	1	0	360.527	1.467	20	30		FDEDRO
C=CCOc1ccccc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1C	ZINC001092740273	956235448	/nfs/dbraw/zinc/23/54/48/956235448.db2.gz	KNPQEEBRENFOCK-IAGOWNOFSA-N	1	0	371.481	1.781	20	30		FDEDRO
C=CCOc1ccccc1C(=O)NC[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1C	ZINC001092741121	956238821	/nfs/dbraw/zinc/23/88/21/956238821.db2.gz	XENWHUCSUHAAHV-INMHGKMJSA-N	1	0	357.454	1.438	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CN(c3ncccc3C#N)CCO2)CC[N@@H+]1C	ZINC001092776920	956415161	/nfs/dbraw/zinc/41/51/61/956415161.db2.gz	DRPAKSWHCGHXCC-OGWOLHLISA-N	1	0	357.458	1.005	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)c1cn(C)ccc1=O	ZINC001092813281	956506233	/nfs/dbraw/zinc/50/62/33/956506233.db2.gz	IWPNQIGRWUQRCE-CRAIPNDOSA-N	1	0	364.449	1.755	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3nncn3CC2)[C@H](C)C1	ZINC001092836116	956579310	/nfs/dbraw/zinc/57/93/10/956579310.db2.gz	GFWUJXLRVMYZDF-VHDGCEQUSA-N	1	0	351.882	1.667	20	30		FDEDRO
C[C@@H]1C[N@H+](C)CC[C@H]1NS(=O)(=O)c1ccc(Br)c(C#N)c1	ZINC001197339510	972211608	/nfs/dbraw/zinc/21/16/08/972211608.db2.gz	HKIVGMRNRQPXIN-QMTHXVAHSA-N	1	0	372.288	1.939	20	30		FDEDRO
C[C@H]1C[N@H+](C)CC[C@H]1NS(=O)(=O)c1ccc(Br)c(C#N)c1	ZINC001197339509	972211631	/nfs/dbraw/zinc/21/16/31/972211631.db2.gz	HKIVGMRNRQPXIN-IINYFYTJSA-N	1	0	372.288	1.939	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3nnn(C)c3C2)[C@H](C)C1	ZINC001092916313	956773350	/nfs/dbraw/zinc/77/33/50/956773350.db2.gz	XZQRJBHTOBRVED-MRVWCRGKSA-N	1	0	351.882	1.357	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O	ZINC001092971051	957026488	/nfs/dbraw/zinc/02/64/88/957026488.db2.gz	TYRKITZFKJDKPQ-UWIFEVILSA-N	1	0	373.884	1.497	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](CCOC[C@@H]2CCCO2)CC1	ZINC001197411410	972238126	/nfs/dbraw/zinc/23/81/26/972238126.db2.gz	QCWFNQYOKKDYDF-FHWLQOOXSA-N	1	0	366.502	1.698	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)c2ccc(-n3ccnc3)nn2)[C@H](C)C1	ZINC001093052370	957228854	/nfs/dbraw/zinc/22/88/54/957228854.db2.gz	CYFIAIXZLMJUIF-HZPDHXFCSA-N	1	0	354.458	1.926	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3c(C)n[nH]c3C)[C@H](C)C2)C1=O	ZINC001093059329	957284098	/nfs/dbraw/zinc/28/40/98/957284098.db2.gz	HGPOPKYNDXNODN-DAXOMENPSA-N	1	0	359.474	1.111	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)c1cnon1	ZINC001093071290	957325882	/nfs/dbraw/zinc/32/58/82/957325882.db2.gz	YBCMPHPQSDHQMT-UKRRQHHQSA-N	1	0	355.398	1.470	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc2c(c1)nnn2C	ZINC001110493269	972261885	/nfs/dbraw/zinc/26/18/85/972261885.db2.gz	KLVKAQTWKWQIPY-MDZRGWNJSA-N	1	0	351.454	1.993	20	30		FDEDRO
C[N@H+](CC(=O)N[C@]12CCC[C@H]1CN(c1ccc(C#N)nn1)C2)CC(C)(C)C	ZINC001093103480	957436306	/nfs/dbraw/zinc/43/63/06/957436306.db2.gz	DMWRFAUMHMTHKM-YWZLYKJASA-N	1	0	370.501	1.801	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2CN(c2nccnc2C#N)C3)CC1	ZINC001093104664	957453080	/nfs/dbraw/zinc/45/30/80/957453080.db2.gz	IRDXGSXBZWGLFK-LIRRHRJNSA-N	1	0	354.458	1.165	20	30		FDEDRO
C=C(C)C(=O)NCCCNC(=O)c1cccc(CN2CCC[N@@H+](C)CC2)c1	ZINC001197508442	972269386	/nfs/dbraw/zinc/26/93/86/972269386.db2.gz	DCDOJHLOQAKYKD-UHFFFAOYSA-N	1	0	372.513	1.636	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(c1ccc(C#N)nn1)C2	ZINC001093091512	957535809	/nfs/dbraw/zinc/53/58/09/957535809.db2.gz	HOTWZNFGRMYXGO-KXBFYZLASA-N	1	0	356.474	1.555	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NC[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1C	ZINC001093118641	957569868	/nfs/dbraw/zinc/56/98/68/957569868.db2.gz	QUZFSXHQWUAXRL-HUUCEWRRSA-N	1	0	370.457	1.273	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NC[C@@H]1C[N@H+]([C@H](C)C(=O)NC)C[C@H]1C	ZINC001093120026	957572952	/nfs/dbraw/zinc/57/29/52/957572952.db2.gz	ZLTWWFQMRWSMGJ-RBSFLKMASA-N	1	0	360.458	1.079	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)c2cc3c(cn2)nc[nH]c3=O)[C@H](C)C1	ZINC001093165118	957718548	/nfs/dbraw/zinc/71/85/48/957718548.db2.gz	VMJGNTFXDQDNEY-ZIAGYGMSSA-N	1	0	355.442	1.994	20	30		FDEDRO
C[C@@H]1CN(Cc2cc(F)ccc2C#N)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001093193038	957750126	/nfs/dbraw/zinc/75/01/26/957750126.db2.gz	ASLBVXOOUCBHLN-UWWQBHOKSA-N	1	0	358.461	1.833	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc(OC)n3)C[C@H]21	ZINC000962015054	1013160944	/nfs/dbraw/zinc/16/09/44/1013160944.db2.gz	FMMKZZUGYNQIHN-APWQULEDSA-N	1	0	357.454	1.618	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)c1cn(C)c(=O)n1C	ZINC001093231241	957871879	/nfs/dbraw/zinc/87/18/79/957871879.db2.gz	HEWDJRROQNYWJG-RHSMWYFYSA-N	1	0	367.453	1.093	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H]3CCC(=O)NC3=O)C2)CC1	ZINC001093284430	957965715	/nfs/dbraw/zinc/96/57/15/957965715.db2.gz	GQHOZQKESWQQGE-OIISXLGYSA-N	1	0	361.486	1.612	20	30		FDEDRO
C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1C[C@H]1C(=O)N(C)C)CCO2	ZINC001093406502	958022587	/nfs/dbraw/zinc/02/25/87/958022587.db2.gz	CVJFBJMAQGGFIG-RXCRORICSA-N	1	0	363.502	1.417	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CNC(=O)C2CCC2)C3)c1	ZINC001110144987	958043785	/nfs/dbraw/zinc/04/37/85/958043785.db2.gz	ANYLMIVHGWVDDP-QYZOEREBSA-N	1	0	366.465	1.696	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093444330	958089458	/nfs/dbraw/zinc/08/94/58/958089458.db2.gz	RUDNNWQWVYZWEH-IIVZCXTMSA-N	1	0	366.893	1.752	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnnn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093447185	958098727	/nfs/dbraw/zinc/09/87/27/958098727.db2.gz	SBYDDLTYVWMLDV-UTXMOHQDSA-N	1	0	367.881	1.147	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3ncc[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093447673	958101226	/nfs/dbraw/zinc/10/12/26/958101226.db2.gz	YLRYAWKEJLDSOP-SMOSDQRPSA-N	1	0	360.502	1.885	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)C(N)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001093448796	958111887	/nfs/dbraw/zinc/11/18/87/958111887.db2.gz	COBMAGWDZOKIPA-BKEDOTJMSA-N	1	0	351.491	1.040	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnc4ccnn43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093449326	958114377	/nfs/dbraw/zinc/11/43/77/958114377.db2.gz	OJQWNWABLHDDGY-ODZKNYGOSA-N	1	0	369.469	1.495	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc4n[nH]nc4c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093451287	958132863	/nfs/dbraw/zinc/13/28/63/958132863.db2.gz	SNFGCJZMTFNAOA-OAFZBRQQSA-N	1	0	370.457	1.119	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc4n[nH]cc4c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093451581	958134383	/nfs/dbraw/zinc/13/43/83/958134383.db2.gz	VWKWTSKOKXDULI-VIPLHTEESA-N	1	0	367.453	1.171	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)C(N)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001093451801	958135604	/nfs/dbraw/zinc/13/56/04/958135604.db2.gz	YMRCYWIWUNTLAF-ZXTQRBJTSA-N	1	0	371.909	1.217	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncc4[nH]ccc43)[C@H]2C(C)C)C[C@H]1O	ZINC001093452135	958138032	/nfs/dbraw/zinc/13/80/32/958138032.db2.gz	DGKBODWRAMJJIP-RDPOXOKHSA-N	1	0	366.465	1.776	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@@H]1C(C)C	ZINC001093459996	958185822	/nfs/dbraw/zinc/18/58/22/958185822.db2.gz	OUCYUYRMJZTCFF-GTACMHHNSA-N	1	0	351.491	1.040	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc4n3CCCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093460097	958187711	/nfs/dbraw/zinc/18/77/11/958187711.db2.gz	PDOJGMJGUJODJQ-QSRMWPQZSA-N	1	0	370.497	1.432	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3ccc(=O)[nH]c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093460231	958189031	/nfs/dbraw/zinc/18/90/31/958189031.db2.gz	QWAAIXVDPTZUQS-JYWFKMLOSA-N	1	0	371.481	1.319	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)nc[nH]c3=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001093460736	958190659	/nfs/dbraw/zinc/19/06/59/958190659.db2.gz	XCWKGLGGSMPIKD-UMHPPVOVSA-N	1	0	360.458	1.256	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3n[nH]cc3F)[C@@H]2C(C)C)C[C@H]1O	ZINC001093465753	958205510	/nfs/dbraw/zinc/20/55/10/958205510.db2.gz	LMFYMRINKRNLKB-GZOSKZMVSA-N	1	0	350.438	1.705	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3n[nH]cc3F)[C@H]2C(C)C)C[C@H]1O	ZINC001093465749	958205648	/nfs/dbraw/zinc/20/56/48/958205648.db2.gz	LMFYMRINKRNLKB-AHEZYBDSSA-N	1	0	350.438	1.705	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccn(C(C)C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093467498	958214759	/nfs/dbraw/zinc/21/47/59/958214759.db2.gz	UCVSYRWZHRXEER-FTEYMNFISA-N	1	0	358.486	1.677	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C)nc3OC)[C@H]2C(C)C)C[C@H]1O	ZINC001093468012	958217237	/nfs/dbraw/zinc/21/72/37/958217237.db2.gz	WYLHKKBWBWXHRW-WIRSXHRWSA-N	1	0	371.481	1.612	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C4CC4)n[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093468377	958218247	/nfs/dbraw/zinc/21/82/47/958218247.db2.gz	ZKXXTPGDSVRRKY-SOAMZJECSA-N	1	0	356.470	1.500	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(C)CCOCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093468609	958219216	/nfs/dbraw/zinc/21/92/16/958219216.db2.gz	AEXRUVOYZIZSIP-WOCWXWTJSA-N	1	0	350.503	1.955	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c(C)noc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093477527	958219392	/nfs/dbraw/zinc/21/93/92/958219392.db2.gz	IVSOOARCPGUSFK-LFGUQSLTSA-N	1	0	359.470	1.433	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c(C)noc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093477525	958219834	/nfs/dbraw/zinc/21/98/34/958219834.db2.gz	IVSOOARCPGUSFK-IZBJGVDFSA-N	1	0	359.470	1.433	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C(C)C)nn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093469540	958221919	/nfs/dbraw/zinc/22/19/19/958221919.db2.gz	HHCDZRTWDVBBOT-KLICCBINSA-N	1	0	359.474	1.072	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3conc3COC)[C@H]2C(C)C)C[C@H]1O	ZINC001093472388	958238720	/nfs/dbraw/zinc/23/87/20/958238720.db2.gz	KXOUHVIAIAFCNF-NWGLXNPWSA-N	1	0	361.442	1.034	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC)C2)[C@@H]1C(C)C	ZINC001093472833	958241619	/nfs/dbraw/zinc/24/16/19/958241619.db2.gz	KXNBXFUIUXRSSG-WIRSXHRWSA-N	1	0	371.481	1.693	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn4cc[nH]c34)[C@H]2C(C)C)C[C@H]1O	ZINC001093473823	958245409	/nfs/dbraw/zinc/24/54/09/958245409.db2.gz	PIFKQXVSHZPMBX-WWNBULGVSA-N	1	0	371.485	1.818	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3sc(C)nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093477289	958256847	/nfs/dbraw/zinc/25/68/47/958256847.db2.gz	GVOGYWAAOWBBGW-FXRXJOCMSA-N	1	0	361.511	1.973	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COC3CCCCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093452547	958257460	/nfs/dbraw/zinc/25/74/60/958257460.db2.gz	KPNZXRFLPAOUJS-RMVXJAJNSA-N	1	0	362.514	1.935	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CN3CCCCC3=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001093454582	958267995	/nfs/dbraw/zinc/26/79/95/958267995.db2.gz	BCWNRJUGDMPAKG-XNFNUYLZSA-N	1	0	363.502	1.151	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCn3ccnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093454950	958270457	/nfs/dbraw/zinc/27/04/57/958270457.db2.gz	IODCWRUUVONZTR-LFGUQSLTSA-N	1	0	360.502	1.815	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3nccn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093455125	958271528	/nfs/dbraw/zinc/27/15/28/958271528.db2.gz	KOUZTTXWKMQPSO-YAJHFMINSA-N	1	0	360.502	1.505	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3n[nH]c4c3CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093456564	958277263	/nfs/dbraw/zinc/27/72/63/958277263.db2.gz	FSMHOHVPDUQVRL-ZTRFORPCSA-N	1	0	358.486	1.664	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc4ncnn43)[C@H]2C(C)C)C[C@H]1O	ZINC001093456522	958277414	/nfs/dbraw/zinc/27/74/14/958277414.db2.gz	FEKSYLVGGLHBNH-GNUPYSACSA-N	1	0	369.469	1.495	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc4ncnn43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093456524	958277813	/nfs/dbraw/zinc/27/78/13/958277813.db2.gz	FEKSYLVGGLHBNH-QSFMABPGSA-N	1	0	369.469	1.495	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc4[nH]ccc4n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093456897	958279046	/nfs/dbraw/zinc/27/90/46/958279046.db2.gz	HCOQICUJWAPXHL-XCJLJZCSSA-N	1	0	366.465	1.776	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C)c(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093458325	958283695	/nfs/dbraw/zinc/28/36/95/958283695.db2.gz	NHXUMYZZHAMIEQ-WERVVEIQSA-N	1	0	355.482	1.911	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c(C)n[nH]c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093477793	958290760	/nfs/dbraw/zinc/29/07/60/958290760.db2.gz	MVNSUGBRQAXXJM-IZBJGVDFSA-N	1	0	358.486	1.168	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)nsc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093480681	958305151	/nfs/dbraw/zinc/30/51/51/958305151.db2.gz	NUDMXXLYZAPFDB-LFEHRJTNSA-N	1	0	361.511	1.973	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(N(C)C)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093481784	958306970	/nfs/dbraw/zinc/30/69/70/958306970.db2.gz	YACXRVAYXRVSSU-WERVVEIQSA-N	1	0	370.497	1.361	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncc4n3CCCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093482126	958308819	/nfs/dbraw/zinc/30/88/19/958308819.db2.gz	ZWEDWGIEGSIPRL-IKVWTGGYSA-N	1	0	370.497	1.432	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3cc(C)oc3C)C[C@H]2C)C1=O	ZINC001093629875	958388314	/nfs/dbraw/zinc/38/83/14/958388314.db2.gz	PTIFEAUCNTVKJO-MZMPZRCHSA-N	1	0	359.470	1.981	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCOC2CCOCC2)C1	ZINC001197674342	972346132	/nfs/dbraw/zinc/34/61/32/972346132.db2.gz	WBDNGJXOJBIAAZ-RTBURBONSA-N	1	0	368.518	1.870	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001093647527	958422817	/nfs/dbraw/zinc/42/28/17/958422817.db2.gz	SUMMXMQIBKWRSQ-QBIMZIAESA-N	1	0	361.417	1.297	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001093664627	958463745	/nfs/dbraw/zinc/46/37/45/958463745.db2.gz	BRBCIURYKWDSQB-KBAYOESNSA-N	1	0	357.454	1.810	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2ccn(CC(F)(F)F)n2)[C@H](C)C1	ZINC001093678181	958530842	/nfs/dbraw/zinc/53/08/42/958530842.db2.gz	IYKZBDGNXMVEQU-YNEHKIRRSA-N	1	0	357.380	1.789	20	30		FDEDRO
CC(C)n1cc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)nn1	ZINC001093722469	958598048	/nfs/dbraw/zinc/59/80/48/958598048.db2.gz	HPDCQZJQCGXYRS-ZIAGYGMSSA-N	1	0	355.446	1.557	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1ccc2nonc2c1	ZINC001093722543	958599398	/nfs/dbraw/zinc/59/93/98/958599398.db2.gz	NOYJYEJCGUDFCY-TZMCWYRMSA-N	1	0	364.409	1.920	20	30		FDEDRO
CCc1nnc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)o1	ZINC001093725509	958607464	/nfs/dbraw/zinc/60/74/64/958607464.db2.gz	OCJHDYFNDGGCMV-YRGRVCCFSA-N	1	0	356.430	1.891	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2COCCN2C)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093728115	958617471	/nfs/dbraw/zinc/61/74/71/958617471.db2.gz	COFXWOKBFLYYSY-ATZDWAIDSA-N	1	0	356.470	1.073	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093728701	958620567	/nfs/dbraw/zinc/62/05/67/958620567.db2.gz	NKDDAHFCUUBGKV-VXGBXAGGSA-N	1	0	358.471	1.433	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC2OCCCO2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093734638	958637230	/nfs/dbraw/zinc/63/72/30/958637230.db2.gz	KOVOYLHMQIRGBO-ZIAGYGMSSA-N	1	0	363.483	1.957	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3c(C)ccn3C)C[C@H]2C)C1=O	ZINC001093736181	958642412	/nfs/dbraw/zinc/64/24/12/958642412.db2.gz	JNEDQVFHMRZHHG-ZACQAIPSSA-N	1	0	358.486	1.418	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001093739610	958654092	/nfs/dbraw/zinc/65/40/92/958654092.db2.gz	QRHFYHSUZXBIGF-RHSMWYFYSA-N	1	0	370.432	1.563	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H](C[NH2+]Cc3cc(C#N)ccc3F)[C@H](C)C2)[nH]1	ZINC001093760424	958699340	/nfs/dbraw/zinc/69/93/40/958699340.db2.gz	MNALYXQRLJRHSK-MLGOLLRUSA-N	1	0	370.432	1.551	20	30		FDEDRO
CCN1C[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)cc3)[C@H](C)C2)CC1=O	ZINC001093805133	958844208	/nfs/dbraw/zinc/84/42/08/958844208.db2.gz	XBLJDVKCRHHZOG-ATZDWAIDSA-N	1	0	368.481	1.611	20	30		FDEDRO
C[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093888629	959142416	/nfs/dbraw/zinc/14/24/16/959142416.db2.gz	VEFFCGYIHRWZEF-CRAIPNDOSA-N	1	0	369.469	1.158	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cn(CC)nn3)[C@H](C)C2)cc1	ZINC001093957730	959352182	/nfs/dbraw/zinc/35/21/82/959352182.db2.gz	VYJSMJDLHOPURC-CRAIPNDOSA-N	1	0	351.454	1.777	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093966787	959379894	/nfs/dbraw/zinc/37/98/94/959379894.db2.gz	MXLPGTQFNLDPJY-CZUORRHYSA-N	1	0	353.426	1.495	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c(C)c(C)sc1=O)C2	ZINC001110152453	959424660	/nfs/dbraw/zinc/42/46/60/959424660.db2.gz	VINAMARFMPSKMS-PMPSAXMXSA-N	1	0	365.499	1.451	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093987884	959432059	/nfs/dbraw/zinc/43/20/59/959432059.db2.gz	HWVFPCFGHJRXFH-ZTFGCOKTSA-N	1	0	354.454	1.363	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3snnc3C)[C@H](C)C2)c1	ZINC001094027971	959550418	/nfs/dbraw/zinc/55/04/18/959550418.db2.gz	LTVJTWNGMSTGSL-MLGOLLRUSA-N	1	0	355.467	1.721	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc(=O)n2C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001094030888	959557703	/nfs/dbraw/zinc/55/77/03/959557703.db2.gz	YOHBFWPOTORMGS-CRAIPNDOSA-N	1	0	364.449	1.755	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCCC(=O)N2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001094035459	959571863	/nfs/dbraw/zinc/57/18/63/959571863.db2.gz	HXUJMIJOGAGZRX-LZQZEXGQSA-N	1	0	368.481	1.801	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCCC(=O)N2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001094035978	959574670	/nfs/dbraw/zinc/57/46/70/959574670.db2.gz	XZYMYJAQMMZUNK-LZQZEXGQSA-N	1	0	368.481	1.801	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001094075038	959704787	/nfs/dbraw/zinc/70/47/87/959704787.db2.gz	WPQDOUAAJQIRDX-CZUORRHYSA-N	1	0	355.417	1.847	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2C)[C@H](C)C1	ZINC001094098799	959778265	/nfs/dbraw/zinc/77/82/65/959778265.db2.gz	NNGOAJYTLJQSEV-CBZIJGRNSA-N	1	0	361.490	1.371	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3cnn(C)n3)C[C@H]2C)cc1C#N	ZINC001094110114	959790473	/nfs/dbraw/zinc/79/04/73/959790473.db2.gz	OZVKJIVUKBZDAV-CZUORRHYSA-N	1	0	368.441	1.193	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cc(C)n(C)n3)[C@H](C)C2)nc1	ZINC001094171995	959969109	/nfs/dbraw/zinc/96/91/09/959969109.db2.gz	HSMDXHXYONABIT-RHSMWYFYSA-N	1	0	351.454	1.603	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]C[C@H]2CCCOC2)[C@H](C)C1	ZINC001094173993	959975079	/nfs/dbraw/zinc/97/50/79/959975079.db2.gz	LLDRYWAEHYHNIS-KZNAEPCWSA-N	1	0	371.481	1.818	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](C)c3nnc(CC)[nH]3)[C@H](C)C2)nc1	ZINC001094174429	959977148	/nfs/dbraw/zinc/97/71/48/959977148.db2.gz	IIFBXAIAFYEYMM-IIAWOOMASA-N	1	0	366.469	1.802	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nnc(CC)s3)[C@H](C)C2)nc1	ZINC001094174287	959977270	/nfs/dbraw/zinc/97/72/70/959977270.db2.gz	CVPHLIJNXIESPE-UKRRQHHQSA-N	1	0	369.494	1.975	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nn(C)cc3Cl)[C@H](C)C2)nc1	ZINC001094174743	959978777	/nfs/dbraw/zinc/97/87/77/959978777.db2.gz	RNTDMIXAWUHWAX-UKRRQHHQSA-N	1	0	371.872	1.948	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]C[C@@H]3CCc4ncnn43)[C@H](C)C2)cn1	ZINC001094176298	959982042	/nfs/dbraw/zinc/98/20/42/959982042.db2.gz	HLHNEFNNFPMZBN-KYJSFNMBSA-N	1	0	364.453	1.140	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001094224148	960057289	/nfs/dbraw/zinc/05/72/89/960057289.db2.gz	XMCLITSYPXFZHB-CXAGYDPISA-N	1	0	365.437	1.483	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2C)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001094195763	960092776	/nfs/dbraw/zinc/09/27/76/960092776.db2.gz	DMZCDXPAOJOUJK-ATZDWAIDSA-N	1	0	368.481	1.753	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1)N1CCOCC1	ZINC001094260298	960204668	/nfs/dbraw/zinc/20/46/68/960204668.db2.gz	IGDYIAPOKPHDRN-FUHIMQAGSA-N	1	0	370.497	1.463	20	30		FDEDRO
C#C[C@H](NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1)[C@@H]1CCCO1	ZINC000773270882	960218631	/nfs/dbraw/zinc/21/86/31/960218631.db2.gz	AFUWPOHHOSHMHG-OALUTQOASA-N	1	0	359.470	1.997	20	30		FDEDRO
C=C(C)CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCO[C@H]3C3CC3)nn2)C1	ZINC001094307933	960243104	/nfs/dbraw/zinc/24/31/04/960243104.db2.gz	UTBHMNJOQMDUKM-MSOLQXFVSA-N	1	0	359.474	1.532	20	30		FDEDRO
Cn1cc(CC[N@@H+]2CC[C@@]3(CNC(=O)c4cc(C#N)c[nH]4)CCC[C@@H]23)cn1	ZINC001094389025	960334473	/nfs/dbraw/zinc/33/44/73/960334473.db2.gz	QBFDCIICAUJXBX-UYAOXDASSA-N	1	0	366.469	1.837	20	30		FDEDRO
Cn1nccc1C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C#N)[nH]3)CCC[C@@H]12	ZINC001094394062	960342520	/nfs/dbraw/zinc/34/25/20/960342520.db2.gz	CGEDHNKPHZBWQG-IEBWSBKVSA-N	1	0	352.442	1.794	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@H]4CCC(=O)N4)CCC[C@@H]23)cc1	ZINC001094378902	960371356	/nfs/dbraw/zinc/37/13/56/960371356.db2.gz	WHMNLWIWTNCTIY-DBXWQHBBSA-N	1	0	366.465	1.698	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@@H]4COC(=O)N4)CCC[C@@H]23)c1	ZINC001094407525	960388318	/nfs/dbraw/zinc/38/83/18/960388318.db2.gz	QITINMVTJRAMGC-SQGPQFPESA-N	1	0	368.437	1.527	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cn4c(n3)C[C@H](OC)CC4)CCC[C@@H]12	ZINC001094445039	960512601	/nfs/dbraw/zinc/51/26/01/960512601.db2.gz	NWXMWLQZAWQCED-HGHGUNKESA-N	1	0	370.497	1.842	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)C3CC4(C3)CS(=O)(=O)C4)CCC[C@@H]12	ZINC001094449328	960520358	/nfs/dbraw/zinc/52/03/58/960520358.db2.gz	MNSZINURHAVACO-VQIMIIECSA-N	1	0	366.527	1.748	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCn2cncn2)CC3)cc1	ZINC001094484841	960570316	/nfs/dbraw/zinc/57/03/16/960570316.db2.gz	AICCWAYOKHDTQE-TZIWHRDSSA-N	1	0	363.465	1.934	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4[nH]c(=O)[nH]c4n3)CCC[C@@H]12	ZINC001094497891	960615303	/nfs/dbraw/zinc/61/53/03/960615303.db2.gz	PYVRMUSEFKOARF-DNVCBOLYSA-N	1	0	353.426	1.661	20	30		FDEDRO
C#C[C@@H]([NH2+]CCOc1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1CCCO1	ZINC000775792882	972519908	/nfs/dbraw/zinc/51/99/08/972519908.db2.gz	IVDUKQAQECQDIH-SJORKVTESA-N	1	0	352.456	1.086	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4nc(C)nn4C3)CCC[C@@H]12	ZINC001094477935	960651140	/nfs/dbraw/zinc/65/11/40/960651140.db2.gz	FHPDRBLJQYATFA-SQGPQFPESA-N	1	0	355.486	1.533	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3cncc(-n4ccnn4)c3)CCC[C@@H]12	ZINC001094478934	960655183	/nfs/dbraw/zinc/65/51/83/960655183.db2.gz	QPCBRMPOIUDHDI-IEBWSBKVSA-N	1	0	352.442	1.823	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2cnn(C)c2)CC3)c1	ZINC001094508850	960688771	/nfs/dbraw/zinc/68/87/71/960688771.db2.gz	QNKKTCGIWUZFOP-TZIWHRDSSA-N	1	0	363.465	1.971	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2conc2C)CC3)nn1	ZINC001094531652	960740746	/nfs/dbraw/zinc/74/07/46/960740746.db2.gz	ZLHZJCOPQIYMEL-IEBWSBKVSA-N	1	0	370.457	1.935	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4c(c3)C(=O)NC4=O)CCC[C@@H]12	ZINC001094563531	960822493	/nfs/dbraw/zinc/82/24/93/960822493.db2.gz	CVMYQTGXEIJIHG-DYESRHJHSA-N	1	0	365.433	1.568	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH]c(C(N)=O)c3)CCC[C@@H]12	ZINC001094575694	960856041	/nfs/dbraw/zinc/85/60/41/960856041.db2.gz	ASNIIAOUXAAMOF-RHSMWYFYSA-N	1	0	350.850	1.841	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(CNC(C)=O)c3)CCC[C@@H]12	ZINC001094582026	960882322	/nfs/dbraw/zinc/88/23/22/960882322.db2.gz	HJNACOPEEMIWPF-TZIWHRDSSA-N	1	0	353.466	1.930	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC(=O)N(C)C3)CCC[C@@H]12	ZINC001094586280	960951457	/nfs/dbraw/zinc/95/14/57/960951457.db2.gz	ILWINTCTBLYEAG-IIDMSEBBSA-N	1	0	353.894	1.968	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(C(=O)Cc3ccccc3C#N)CC[C@@H]2C1	ZINC001181798358	961120271	/nfs/dbraw/zinc/12/02/71/961120271.db2.gz	HLYLLYAOPIWLFX-RTBURBONSA-N	1	0	357.454	1.296	20	30		FDEDRO
C=C(C)CC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CCO[C@H]3C(=C)C)CC2=O)C1	ZINC001094795788	961180566	/nfs/dbraw/zinc/18/05/66/961180566.db2.gz	ZAYUYIVVBUJUOG-AYBZRNKSSA-N	1	0	361.486	1.335	20	30		FDEDRO
C[N@@H+]1C[C@H](C(=O)NCCCNc2ccc(C#N)nn2)[C@@H](c2ccccc2)C1	ZINC001094796792	961182474	/nfs/dbraw/zinc/18/24/74/961182474.db2.gz	JPLMYOIDRNTXKS-MSOLQXFVSA-N	1	0	364.453	1.612	20	30		FDEDRO
C=CCOCc1nn(C)c2c1CN(C1CC[NH+](CCCOC)CC1)CC2	ZINC001172251588	961598091	/nfs/dbraw/zinc/59/80/91/961598091.db2.gz	HAESGJZBESCPDK-UHFFFAOYSA-N	1	0	362.518	1.982	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCn2nnc(Cn3cnnc3)c2C1	ZINC001172305984	961617505	/nfs/dbraw/zinc/61/75/05/961617505.db2.gz	BBPLWBYSUDGHMS-OAHLLOKOSA-N	1	0	362.441	1.626	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCCN2CCCC2=O)C[C@H]1C#N	ZINC001172967150	961854100	/nfs/dbraw/zinc/85/41/00/961854100.db2.gz	HFFWJQPQEFNRJK-GJZGRUSLSA-N	1	0	350.463	1.880	20	30		FDEDRO
CN1CCN(C(=[NH2+])N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1	ZINC001172976057	961860017	/nfs/dbraw/zinc/86/00/17/961860017.db2.gz	LJFRYKPIKKPUBM-KGLIPLIRSA-N	1	0	350.467	1.050	20	30		FDEDRO
C[NH+](C)CCN1CCN([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1	ZINC001172980984	961864368	/nfs/dbraw/zinc/86/43/68/961864368.db2.gz	RPMHKDJUTKWZTO-IRXDYDNUSA-N	1	0	365.522	1.457	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CN(c3ncccn3)C2)C[C@H]1C#N	ZINC001172982664	961867198	/nfs/dbraw/zinc/86/71/98/961867198.db2.gz	FINAKFAEQSJVAR-ZFWWWQNUSA-N	1	0	358.446	1.546	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCn2cncn2)C3)cc1	ZINC001110288415	961961676	/nfs/dbraw/zinc/96/16/76/961961676.db2.gz	LIMKKPJVKFTAKJ-KURKYZTESA-N	1	0	350.426	1.462	20	30		FDEDRO
N#CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCCO2)C3)cc1	ZINC001095148729	962104209	/nfs/dbraw/zinc/10/42/09/962104209.db2.gz	HMOJPYRGOXXJMN-BVBHFADKSA-N	1	0	355.438	1.989	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+]C[C@@H](O)c3cccnc3)CC2)cc1	ZINC001173425609	962127671	/nfs/dbraw/zinc/12/76/71/962127671.db2.gz	AAPBJEDFPXSMNZ-LJQANCHMSA-N	1	0	350.422	1.881	20	30		FDEDRO
COC(=O)N1CCC[N@@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1	ZINC001173430182	962146144	/nfs/dbraw/zinc/14/61/44/962146144.db2.gz	NVHIXUPTGVGACR-UHFFFAOYSA-N	1	0	370.453	1.937	20	30		FDEDRO
N#CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cn[nH]c2)C3)cc1	ZINC001095204086	962300032	/nfs/dbraw/zinc/30/00/32/962300032.db2.gz	IQDCWKYPHNDLDY-NJAFHUGGSA-N	1	0	351.410	1.847	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)N(C)C2CC2)C1	ZINC001182669088	962378648	/nfs/dbraw/zinc/37/86/48/962378648.db2.gz	FEIDIKBWATXWQF-DFYYWFRZSA-N	1	0	363.502	1.273	20	30		FDEDRO
CC#CC[C@@H](CO)[NH2+]Cc1cn(CC(=O)OCC)nc1-c1cccnc1	ZINC001182654177	962408447	/nfs/dbraw/zinc/40/84/47/962408447.db2.gz	NQGLJRASEWHUJO-KRWDZBQOSA-N	1	0	356.426	1.372	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccco2)C[C@@]1(C)C[NH2+]CC(=O)NCC#N	ZINC001182685461	962434839	/nfs/dbraw/zinc/43/48/39/962434839.db2.gz	UQSODBFIQFSWJK-DEXNDLTESA-N	1	0	358.442	1.097	20	30		FDEDRO
CC1(C#N)CCC(N([C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)S(C)(=O)=O)CC1	ZINC001173595699	962473159	/nfs/dbraw/zinc/47/31/59/962473159.db2.gz	UJUSFPQPSFLJPP-JPLDOALUSA-N	1	0	355.504	1.487	20	30		FDEDRO
COC(=O)c1ccc(C[C@H](C)[NH+]2CCN(c3nccnc3C#N)CC2)cc1	ZINC001173724952	962573486	/nfs/dbraw/zinc/57/34/86/962573486.db2.gz	ACWOELMKLQRDHM-HNNXBMFYSA-N	1	0	365.437	1.888	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1	ZINC001183043711	962756435	/nfs/dbraw/zinc/75/64/35/962756435.db2.gz	WIHDXTBBKRNROZ-ZWKOTPCHSA-N	1	0	354.454	1.435	20	30		FDEDRO
CC(C)[C@H](C(=O)NC1CCN(C(=O)c2ccccc2C#N)CC1)[NH+](C)C	ZINC001183365676	963001098	/nfs/dbraw/zinc/00/10/98/963001098.db2.gz	IRLVEXQSBSFEBH-GOSISDBHSA-N	1	0	356.470	1.865	20	30		FDEDRO
C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1	ZINC001175237656	963105150	/nfs/dbraw/zinc/10/51/50/963105150.db2.gz	RETNFMCMDHQYCE-IXDOHACOSA-N	1	0	351.491	1.607	20	30		FDEDRO
C#CCC[C@H](O)C[NH2+][C@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1	ZINC001183607636	963138776	/nfs/dbraw/zinc/13/87/76/963138776.db2.gz	ULFSWFWZOAYVRQ-NEWSRXKRSA-N	1	0	360.454	1.776	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)C1	ZINC001183582398	963152684	/nfs/dbraw/zinc/15/26/84/963152684.db2.gz	XSHXNBMNFPOFEQ-GUDVDZBRSA-N	1	0	353.466	1.510	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1c(C)nnn1CC	ZINC001175364942	963169942	/nfs/dbraw/zinc/16/99/42/963169942.db2.gz	FAXBBPCUCODVPG-LESCRADOSA-N	1	0	363.506	1.962	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC(F)(F)F)C1	ZINC001111684264	963231479	/nfs/dbraw/zinc/23/14/79/963231479.db2.gz	IQDCKWJDPZXGFF-XEZPLFJOSA-N	1	0	361.408	1.990	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=O)N1CCC1	ZINC001175630334	963242907	/nfs/dbraw/zinc/24/29/07/963242907.db2.gz	PPXUBXODKUXWGC-AOIWGVFYSA-N	1	0	365.518	1.855	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000796456071	1013406763	/nfs/dbraw/zinc/40/67/63/1013406763.db2.gz	BGARLEXOBXYJNO-FUHWJXTLSA-N	1	0	357.454	1.763	20	30		FDEDRO
C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC001175664434	963260748	/nfs/dbraw/zinc/26/07/48/963260748.db2.gz	WIMZQYJNWKPWAJ-IMFGXOCKSA-N	1	0	370.497	1.889	20	30		FDEDRO
C[NH+]1CCC(CO)(NC(=O)[C@H]2CCCCN2Cc2ccccc2C#N)CC1	ZINC001183838548	963304370	/nfs/dbraw/zinc/30/43/70/963304370.db2.gz	BIHPGOSSAVJCLX-LJQANCHMSA-N	1	0	370.497	1.486	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]1COCCN1C(=O)OC(C)(C)C	ZINC001183858591	963316349	/nfs/dbraw/zinc/31/63/49/963316349.db2.gz	HKCFATKEXOWMIN-JKSUJKDBSA-N	1	0	367.490	1.779	20	30		FDEDRO
C#C[C@H](NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)[C@@H]1CCCO1	ZINC000773554934	963382212	/nfs/dbraw/zinc/38/22/12/963382212.db2.gz	GBWVGEVFQRNIHD-VUXNLXKLSA-N	1	0	360.502	1.120	20	30		FDEDRO
CC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CN(c3cccc(C#N)c3)C(=O)O2)CC1	ZINC001184381530	963567282	/nfs/dbraw/zinc/56/72/82/963567282.db2.gz	RWPLOLSYOLGMLU-INIZCTEOSA-N	1	0	356.426	1.826	20	30		FDEDRO
C=C[C@@H]1C[C@@]1(NC(=O)C1CC[NH+](Cc2ccccn2)CC1)C(=O)OCC	ZINC001177214572	963707429	/nfs/dbraw/zinc/70/74/29/963707429.db2.gz	NELLYTKMMUDHGV-UZLBHIALSA-N	1	0	357.454	1.918	20	30		FDEDRO
COCCC1([NH3+])CCN(C(=O)CN(CCC#N)C(=O)OC(C)(C)C)CC1	ZINC001184861889	963742173	/nfs/dbraw/zinc/74/21/73/963742173.db2.gz	QBVTXUZRVSBGBH-UHFFFAOYSA-N	1	0	368.478	1.494	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+]([C@@H](C)C(N)=O)CC2	ZINC000957552167	1013449562	/nfs/dbraw/zinc/44/95/62/1013449562.db2.gz	HNBFOHVLHNFYDS-BBWFWOEESA-N	1	0	363.502	1.546	20	30		FDEDRO
N#Cc1cc(CC(=O)NCC(=O)N2CC[NH+](C3CCCCC3)CC2)ccn1	ZINC001177672357	963922764	/nfs/dbraw/zinc/92/27/64/963922764.db2.gz	GIKPPBSAFSPOEF-UHFFFAOYSA-N	1	0	369.469	1.089	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCc2ccc(C)cc2)C1	ZINC001185758673	964090869	/nfs/dbraw/zinc/09/08/69/964090869.db2.gz	HVVDPKKLOPMDLM-QRVBRYPASA-N	1	0	371.481	1.393	20	30		FDEDRO
C=CCNCc1cn([C@H]2CCCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)C2)nn1	ZINC001185974001	964242489	/nfs/dbraw/zinc/24/24/89/964242489.db2.gz	FXMDZDJWXLQIHF-KSZLIROESA-N	1	0	359.474	1.532	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](n2cc(C[NH2+]CCCC)nn2)C1	ZINC001186008065	964250842	/nfs/dbraw/zinc/25/08/42/964250842.db2.gz	OANOUSQQTJJAJQ-KURKYZTESA-N	1	0	361.490	1.922	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCCCCCC[NH2+][C@@H](C)C(=O)NC1CC1	ZINC001178505981	964260363	/nfs/dbraw/zinc/26/03/63/964260363.db2.gz	KTRYMXKHYKUKLP-JQHSSLGASA-N	1	0	365.518	1.901	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCCCCCC[NH2+][C@@H]1CCN(C)C1=O	ZINC001178506394	964260720	/nfs/dbraw/zinc/26/07/20/964260720.db2.gz	SIQNBFJMYDHVGD-ZACQAIPSSA-N	1	0	351.491	1.465	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cn2nccn2)C1	ZINC001186190134	964341744	/nfs/dbraw/zinc/34/17/44/964341744.db2.gz	VSUVPBJXJCLQBV-IEBWSBKVSA-N	1	0	369.444	1.662	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2C[C@H]2c2ccccc2)[C@H]1C	ZINC001178718891	964396678	/nfs/dbraw/zinc/39/66/78/964396678.db2.gz	PQCZNDYGLUBNCQ-WNHJNPCNSA-N	1	0	353.466	1.509	20	30		FDEDRO
CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	ZINC001178822812	964475429	/nfs/dbraw/zinc/47/54/29/964475429.db2.gz	CMKRFZGIJKSSQU-KGLIPLIRSA-N	1	0	350.381	1.622	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCO)C2(C1)CCOCC2	ZINC001186373754	964482004	/nfs/dbraw/zinc/48/20/04/964482004.db2.gz	MYKMBTNXCIYSOP-KURKYZTESA-N	1	0	366.502	1.195	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	ZINC001179059666	964658351	/nfs/dbraw/zinc/65/83/51/964658351.db2.gz	MWJBBCRFCBFHJA-VSZNYVQBSA-N	1	0	363.502	1.206	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CCO[C@H]1CC	ZINC001179089718	964712322	/nfs/dbraw/zinc/71/23/22/964712322.db2.gz	KHLWYKSTTMQUJJ-BBWFWOEESA-N	1	0	351.491	1.206	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@@H](C)C(=O)NC(C)(C)CC	ZINC001110384925	964781455	/nfs/dbraw/zinc/78/14/55/964781455.db2.gz	DQXUPECCILEJBD-JJXSEGSLSA-N	1	0	351.491	1.604	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@H](CC)c1ccccc1OCC(=O)N1CCCC1	ZINC000775055391	964790622	/nfs/dbraw/zinc/79/06/22/964790622.db2.gz	XXQBLALUWWFXBR-QGZVFWFLSA-N	1	0	357.454	1.478	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CSC(C)C)[C@@H]3C2)C1=O	ZINC001186898655	964819840	/nfs/dbraw/zinc/81/98/40/964819840.db2.gz	HTKPAEULQQUURP-HRCADAONSA-N	1	0	351.516	1.448	20	30		FDEDRO
Cc1ncsc1CC[N@@H+]1C[C@@H]2CCN(C(=O)CSCC#N)[C@@H]2C1	ZINC001186917751	964878199	/nfs/dbraw/zinc/87/81/99/964878199.db2.gz	YYSMWKUBEVLXLF-UONOGXRCSA-N	1	0	350.513	1.784	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC2CCCCC2)[C@@H]1C	ZINC001179565988	964901542	/nfs/dbraw/zinc/90/15/42/964901542.db2.gz	SRJDVPFPXOOTSY-RANZSIQMSA-N	1	0	363.502	1.605	20	30		FDEDRO
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CC[NH+](CCCOC)CC1	ZINC001179587752	964918258	/nfs/dbraw/zinc/91/82/58/964918258.db2.gz	MYPLXJWZUGEJSZ-INIZCTEOSA-N	1	0	367.490	1.520	20	30		FDEDRO
CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2)CC1	ZINC000957584348	1013533775	/nfs/dbraw/zinc/53/37/75/1013533775.db2.gz	OQDNYIBQECGNGU-GBESFXJTSA-N	1	0	360.498	1.766	20	30		FDEDRO
NC(=O)[C@@H]1C[C@@H]1C(=O)NCCCCCC[NH2+]CC#Cc1ccc(F)cc1	ZINC001179601475	964925453	/nfs/dbraw/zinc/92/54/53/964925453.db2.gz	FEYHOBBEIZQSAK-MSOLQXFVSA-N	1	0	359.445	1.565	20	30		FDEDRO
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)n1ccc([C@@H]2CCC[NH2+]2)nc1=N	ZINC001179584270	964932157	/nfs/dbraw/zinc/93/21/57/964932157.db2.gz	YLCAZZXNDGFQGO-JSGCOSHPSA-N	1	0	359.430	1.344	20	30		FDEDRO
C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2)CC1	ZINC000957584724	1013534616	/nfs/dbraw/zinc/53/46/16/1013534616.db2.gz	VGKFBYZBHXKNPE-GBESFXJTSA-N	1	0	360.498	1.766	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(C)s2)[C@H]1C	ZINC001179688932	964944587	/nfs/dbraw/zinc/94/45/87/964944587.db2.gz	OTZCQCBFQIHDEM-JJXSEGSLSA-N	1	0	359.495	1.488	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCCCCC[NH2+]Cc1cnn(C)n1	ZINC001179781178	964975403	/nfs/dbraw/zinc/97/54/03/964975403.db2.gz	NFIFQRYEVHHFOK-ROUUACIJSA-N	1	0	363.506	1.953	20	30		FDEDRO
C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC001179787846	964986938	/nfs/dbraw/zinc/98/69/38/964986938.db2.gz	AWFRMZKVGMMEES-AZUAARDMSA-N	1	0	370.497	1.891	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCCCC[NH2+][C@@H](C)C(=O)NC1CC1	ZINC001179797217	964993003	/nfs/dbraw/zinc/99/30/03/964993003.db2.gz	RDFLTHJHXYHEPB-SZMVWBNQSA-N	1	0	365.518	1.901	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)CC1	ZINC000775104700	965109289	/nfs/dbraw/zinc/10/92/89/965109289.db2.gz	VYMUDBPNAUPRFF-INIZCTEOSA-N	1	0	368.481	1.463	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)CCc3ccccc3)C[C@H]21	ZINC001187320076	965240905	/nfs/dbraw/zinc/24/09/05/965240905.db2.gz	JFTAODJLSMPWIV-SLFFLAALSA-N	1	0	358.482	1.715	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](CCOCC(F)(F)C(F)(F)F)C[C@H]21	ZINC001187320605	965243150	/nfs/dbraw/zinc/24/31/50/965243150.db2.gz	XLVFXSHKHIECAC-GRYCIOLGSA-N	1	0	369.334	1.893	20	30		FDEDRO
N#Cc1cc2cccnc2nc1NC(=O)CC[NH+]1CCC(C(N)=O)CC1	ZINC001180607863	965438420	/nfs/dbraw/zinc/43/84/20/965438420.db2.gz	LBYYSGWSJYLJLV-UHFFFAOYSA-N	1	0	352.398	1.027	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCc4c3cccc4F)C[C@H]21	ZINC001187598596	965522100	/nfs/dbraw/zinc/52/21/00/965522100.db2.gz	VAGDSGWKINCDGQ-ZOCIIQOWSA-N	1	0	369.440	1.485	20	30		FDEDRO
COC(=O)CN1CCC([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC001180802972	965615305	/nfs/dbraw/zinc/61/53/05/965615305.db2.gz	YVEZMODVTLWEQZ-UHFFFAOYSA-N	1	0	367.453	1.686	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1C[C@@H]2CCN(C(=O)C#CC(C)(C)C)[C@@H]2C1	ZINC001187857075	965795845	/nfs/dbraw/zinc/79/58/45/965795845.db2.gz	HOEXHAVAZHWKET-ZWKOTPCHSA-N	1	0	357.498	1.769	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(NC(C)=O)c3)C[C@H]21	ZINC001187865476	965809525	/nfs/dbraw/zinc/80/95/25/965809525.db2.gz	PXIIZFLQOPUWDF-AZUAARDMSA-N	1	0	369.465	1.718	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(C(=O)NC)c3)C[C@H]21	ZINC001187865436	965810034	/nfs/dbraw/zinc/81/00/34/965810034.db2.gz	NZQIYTDKGJDJBX-AYOQOUSVSA-N	1	0	369.465	1.117	20	30		FDEDRO
Cc1ccccc1OC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)C#CC(C)C)[C@@H]2C1	ZINC001187827215	965818283	/nfs/dbraw/zinc/81/82/83/965818283.db2.gz	AMQZDCIHJOECLG-SLFFLAALSA-N	1	0	370.493	1.927	20	30		FDEDRO
CC(C)C#CC(=O)N1CC[C@H]2C[N@H+](C[C@H](O)COCc3ccco3)C[C@H]21	ZINC001187827267	965818957	/nfs/dbraw/zinc/81/89/57/965818957.db2.gz	BTCAUXIECHDPIH-JENIJYKNSA-N	1	0	360.454	1.349	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@@H+](Cc3cn(C(C)C)nc3C)C[C@H]21	ZINC001187874626	965870391	/nfs/dbraw/zinc/87/03/91/965870391.db2.gz	ZDOUWGVEYLKGGW-PKOBYXMFSA-N	1	0	358.486	1.845	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(N(C)C)c3)C[C@H]21	ZINC001187882237	965880694	/nfs/dbraw/zinc/88/06/94/965880694.db2.gz	LOHGJFGUHORVQW-IMFGXOCKSA-N	1	0	355.482	1.824	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc4nonc4c3)C[C@H]21	ZINC001187882319	965882847	/nfs/dbraw/zinc/88/28/47/965882847.db2.gz	NDBZDRNSJFFCAI-DHSIGJKJSA-N	1	0	354.410	1.294	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(COC)c3)C[C@H]21	ZINC001187882982	965885743	/nfs/dbraw/zinc/88/57/43/965885743.db2.gz	ZBQLSSOWUXQNLG-LSTHTHJFSA-N	1	0	356.466	1.904	20	30		FDEDRO
C=CCCOCCCCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]21	ZINC001187919643	965903538	/nfs/dbraw/zinc/90/35/38/965903538.db2.gz	PCNLLTVLPOSCFZ-RCCFBDPRSA-N	1	0	354.491	1.289	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3nn(C)c4ccccc34)[C@@H]2C1	ZINC001187930720	965913024	/nfs/dbraw/zinc/91/30/24/965913024.db2.gz	ZPYIFGYJRMVBCU-OXJNMPFZSA-N	1	0	366.465	1.298	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]21	ZINC001187958025	965930307	/nfs/dbraw/zinc/93/03/07/965930307.db2.gz	FAPDXHMWXITFHG-MLHJIOFPSA-N	1	0	361.486	1.027	20	30		FDEDRO
CCc1nccn1[C@@H](C)CC(=O)N1CC[C@H]2C[N@H+](CC#CCOC)C[C@H]21	ZINC001187971232	965933384	/nfs/dbraw/zinc/93/33/84/965933384.db2.gz	FYTHCQIDMHZCRG-OKZBNKHCSA-N	1	0	358.486	1.579	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1CC[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]21)OCC	ZINC001188095341	966005278	/nfs/dbraw/zinc/00/52/78/966005278.db2.gz	ICOFIKCRHYWLJX-RCCFBDPRSA-N	1	0	363.502	1.513	20	30		FDEDRO
COCC#CCN1C[C@@H]2CCN(C(=O)c3cnc4[nH]c(C)nc4c3)[C@@H]2C1	ZINC001188172822	966074838	/nfs/dbraw/zinc/07/48/38/966074838.db2.gz	BYCURPSJBKTVKF-WMLDXEAASA-N	1	0	353.426	1.062	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3[nH]ncc3C(F)(F)F)[C@@H]2C1	ZINC001188173554	966075915	/nfs/dbraw/zinc/07/59/15/966075915.db2.gz	KZFBMXKKLKMRBG-WCQYABFASA-N	1	0	358.364	1.777	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(C(N)=O)nc3)[C@@H]2C1	ZINC001188336701	966213709	/nfs/dbraw/zinc/21/37/09/966213709.db2.gz	OAQQUADEORBYSC-UWWQBHOKSA-N	1	0	356.470	1.610	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(=O)n(CCOC)n3)[C@@H]2C1	ZINC001188495454	966368632	/nfs/dbraw/zinc/36/86/32/966368632.db2.gz	NNZLDDDNBSFART-DOTOQJQBSA-N	1	0	360.458	1.002	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cnc4cc(OC)ccn43)[C@@H]2C1	ZINC001188555458	966392656	/nfs/dbraw/zinc/39/26/56/966392656.db2.gz	ZKHJJQRTFRHOGH-MAUKXSAKSA-N	1	0	370.453	1.692	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3COc4cc(C)c(C)cc43)[C@@H]2C1	ZINC001188659001	966461825	/nfs/dbraw/zinc/46/18/25/966461825.db2.gz	QYEDBCKQWGHQJZ-YSIASYRMSA-N	1	0	368.477	1.962	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cncc(-n4ccnn4)c3)[C@@H]2C1	ZINC001188664012	966466757	/nfs/dbraw/zinc/46/67/57/966466757.db2.gz	HYZJGWMIDDGBAV-MAUKXSAKSA-N	1	0	368.441	1.011	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCCN1C(=O)C[NH+]1CCCC1	ZINC000964506894	1013656284	/nfs/dbraw/zinc/65/62/84/1013656284.db2.gz	LNEFOEQHGIWTRR-AOIWGVFYSA-N	1	0	363.502	1.561	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c(C)nn(C)c3C)[C@@H]2C1	ZINC001188706393	966509970	/nfs/dbraw/zinc/50/99/70/966509970.db2.gz	IZTBCCNINOERFW-PKOBYXMFSA-N	1	0	358.486	1.152	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(-c4nc[nH]n4)c3)[C@@H]2C1	ZINC001188752837	966524265	/nfs/dbraw/zinc/52/42/65/966524265.db2.gz	JRQHNCWGUWZRCZ-ZWKOTPCHSA-N	1	0	367.453	1.821	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN([C@@H](C)C(=O)NCCC)C[C@H]32)cc1	ZINC001188744049	966552647	/nfs/dbraw/zinc/55/26/47/966552647.db2.gz	KKNJNPVOQMKEPM-ZYSHUDEJSA-N	1	0	353.466	1.729	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(CC(=O)N(C)C(C)C)C[C@H]32)cc1	ZINC001188744451	966552904	/nfs/dbraw/zinc/55/29/04/966552904.db2.gz	OUQCXRDLDSUKTR-RBUKOAKNSA-N	1	0	353.466	1.681	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C(=O)N(C)C)cc1	ZINC001110402008	966561800	/nfs/dbraw/zinc/56/18/00/966561800.db2.gz	UVZQGLFXFPSUCO-LIRZEXBASA-N	1	0	354.454	1.770	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3ccccn3)[C@@H]2C1	ZINC001188760239	966563786	/nfs/dbraw/zinc/56/37/86/966563786.db2.gz	WCQMJNVIBLGJFZ-SOLBZPMBSA-N	1	0	356.470	1.238	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CCN(C(=O)C23CCC[NH+]2CCC3)C1	ZINC000957632575	1013661124	/nfs/dbraw/zinc/66/11/24/1013661124.db2.gz	PRRVIRHXSHCTCZ-GJYPPUQNSA-N	1	0	361.486	1.313	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@H+](CCOCCNC(C)=O)C[C@H]21	ZINC001188908362	966648948	/nfs/dbraw/zinc/64/89/48/966648948.db2.gz	ASOYYGMGAGSSID-OKZBNKHCSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=CCCCC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCN(S(C)(=O)=O)C3)C[C@H]21	ZINC001189007216	966696986	/nfs/dbraw/zinc/69/69/86/966696986.db2.gz	PUUKTKSRGIVRJX-IXDOHACOSA-N	1	0	369.531	1.157	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CCCS(N)(=O)=O)[C@@H]2C1	ZINC001189012163	966700760	/nfs/dbraw/zinc/70/07/60/966700760.db2.gz	LAVNHMVJSJSZME-JKSUJKDBSA-N	1	0	357.520	1.334	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1	ZINC001188979258	966706466	/nfs/dbraw/zinc/70/64/66/966706466.db2.gz	NAPAPIAYHODRPW-ZWKOTPCHSA-N	1	0	364.534	1.286	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c(C)ncc4C3)[C@@H]2C1	ZINC001189136602	966788139	/nfs/dbraw/zinc/78/81/39/966788139.db2.gz	ZRKDZWCKLIZDCZ-JENIJYKNSA-N	1	0	358.486	1.489	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4[nH]c(=O)[nH]c4c3)[C@@H]2C1	ZINC001189253196	966856388	/nfs/dbraw/zinc/85/63/88/966856388.db2.gz	JWTGSKKPBVRTAD-WMLDXEAASA-N	1	0	356.426	1.617	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-c4cn[nH]c4)cc3)[C@@H]2C1	ZINC001189406666	966958539	/nfs/dbraw/zinc/95/85/39/966958539.db2.gz	UVHQNPWBXBPBJO-AZUAARDMSA-N	1	0	364.449	1.873	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cc(F)ccc3OC)[C@@H]2C1	ZINC001189491800	967009188	/nfs/dbraw/zinc/00/91/88/967009188.db2.gz	GXZGJGSXQOCGCP-MAUKXSAKSA-N	1	0	360.429	1.559	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CCN(C(=O)CC[NH+]2CCCCC2)C1	ZINC000957643457	1013698591	/nfs/dbraw/zinc/69/85/91/1013698591.db2.gz	HCEOPDXWFVFKKX-UWVAXJGDSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(-n4ccnc4)ccn3)[C@@H]2C1	ZINC001189640105	967101773	/nfs/dbraw/zinc/10/17/73/967101773.db2.gz	JJGHUAAYPZIHON-QFBILLFUSA-N	1	0	367.453	1.616	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CN(C)S(=O)(=O)CC)[C@@H]2C1	ZINC001189628959	967128349	/nfs/dbraw/zinc/12/83/49/967128349.db2.gz	UYQLBGNZLYYRMI-DLBZAZTESA-N	1	0	371.547	1.547	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)CC1	ZINC000775276281	967130182	/nfs/dbraw/zinc/13/01/82/967130182.db2.gz	JHEFZKTWYXDBSW-KRWDZBQOSA-N	1	0	368.481	1.241	20	30		FDEDRO
COc1ccc(N2CCN(C[C@@H](O)C[N@@H+]3CCC[C@H](CC#N)C3)CC2)cc1	ZINC000852319988	967219454	/nfs/dbraw/zinc/21/94/54/967219454.db2.gz	UNAQSTBYFLTONA-UYAOXDASSA-N	1	0	372.513	1.804	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)NC(=O)CC(C)(C)C)[C@@H]2C1	ZINC001189763733	967247588	/nfs/dbraw/zinc/24/75/88/967247588.db2.gz	NRLBTQFNNRSLJQ-YESZJQIVSA-N	1	0	365.518	1.663	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)[C@@H]2C1	ZINC001189771348	967254064	/nfs/dbraw/zinc/25/40/64/967254064.db2.gz	LTIAJRBHNWJKFY-JKSUJKDBSA-N	1	0	364.490	1.384	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1	ZINC000852370854	967259292	/nfs/dbraw/zinc/25/92/92/967259292.db2.gz	KQIGVIYTDIYVJH-GOSISDBHSA-N	1	0	357.454	1.751	20	30		FDEDRO
C#CCC[NH+]1CCN(Cc2cc(=O)oc3cc(NC(C)=O)ccc23)CC1	ZINC000776594789	967289570	/nfs/dbraw/zinc/28/95/70/967289570.db2.gz	UFVSYKSHNXYFSU-UHFFFAOYSA-N	1	0	353.422	1.892	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)C1=O	ZINC000852452306	967328670	/nfs/dbraw/zinc/32/86/70/967328670.db2.gz	UYCZAKDBXFXPCS-UONOGXRCSA-N	1	0	367.371	1.883	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CCCO[C@@H]4CCOC4)C[C@H]32)cn1	ZINC001189850995	967352319	/nfs/dbraw/zinc/35/23/19/967352319.db2.gz	FOTXTKQOLZWBPN-DFQSSKMNSA-N	1	0	369.465	1.405	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]32)nc1	ZINC001189851587	967353755	/nfs/dbraw/zinc/35/37/55/967353755.db2.gz	KWWAUBFMOLGZTD-SQWLQELKSA-N	1	0	367.371	1.523	20	30		FDEDRO
COCCS(=O)(=O)CCC[NH2+]C1(c2cccc(C#N)c2)CCOCC1	ZINC000852565778	967430126	/nfs/dbraw/zinc/43/01/26/967430126.db2.gz	QFLDYSANPOSXJQ-UHFFFAOYSA-N	1	0	366.483	1.605	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCn2nc(C)nc2C)CCC1	ZINC001110652390	967463723	/nfs/dbraw/zinc/46/37/23/967463723.db2.gz	BQWQBELDEVBMEW-KURKYZTESA-N	1	0	355.486	1.810	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CO[C@H](C)c3nccn3C)[C@@H]2C1	ZINC001189999416	967490865	/nfs/dbraw/zinc/49/08/65/967490865.db2.gz	SJWZOKMCFJJTMJ-IXDOHACOSA-N	1	0	362.474	1.233	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CCCCCNC(C)=O)[C@@H]2C1	ZINC001190065527	967498553	/nfs/dbraw/zinc/49/85/53/967498553.db2.gz	HRKQVAPRPQECDQ-ZWKOTPCHSA-N	1	0	351.491	1.418	20	30		FDEDRO
COC(=O)C1(C#N)CCN(C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1	ZINC000852706224	967547680	/nfs/dbraw/zinc/54/76/80/967547680.db2.gz	SVABQWZWZVGBRA-UHFFFAOYSA-N	1	0	362.474	1.597	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)COc3ccc(OC)cc3)[C@@H]2C1	ZINC001190133308	967594490	/nfs/dbraw/zinc/59/44/90/967594490.db2.gz	HXVOCSFOUFIAIJ-QFBILLFUSA-N	1	0	360.454	1.809	20	30		FDEDRO
N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(-c2cccc(Br)c2)no1	ZINC000852827863	967638544	/nfs/dbraw/zinc/63/85/44/967638544.db2.gz	QOSSWPBLNYSEBU-MFKMUULPSA-N	1	0	361.199	1.945	20	30		FDEDRO
C=CC[C@@]1(C(=O)Nc2cccc(OCCS(C)(=O)=O)c2)CCC[NH2+]1	ZINC000852828547	967639654	/nfs/dbraw/zinc/63/96/54/967639654.db2.gz	YQWNZCDSXZMDDB-KRWDZBQOSA-N	1	0	352.456	1.747	20	30		FDEDRO
COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)C#CC1CC[NH2+]CC1	ZINC000852842646	967650478	/nfs/dbraw/zinc/65/04/78/967650478.db2.gz	DNIBBVGHNCTXLK-GOSISDBHSA-N	1	0	369.465	1.936	20	30		FDEDRO
C=CC[C@]1(C(=O)NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)CCC[NH2+]1	ZINC000852844674	967651182	/nfs/dbraw/zinc/65/11/82/967651182.db2.gz	JFLFFEPKTHVTSS-KBXCAEBGSA-N	1	0	366.845	1.959	20	30		FDEDRO
CCOC(=O)COc1ccc(CCNC(=O)C#CC2CC[NH2+]CC2)cc1	ZINC000852848450	967654244	/nfs/dbraw/zinc/65/42/44/967654244.db2.gz	KFCYDGKAQFQCPL-UHFFFAOYSA-N	1	0	358.438	1.290	20	30		FDEDRO
CC[C@@H]1Oc2cc([C@H](C)NC(=O)C#CC3CC[NH2+]CC3)ccc2NC1=O	ZINC000852848312	967654460	/nfs/dbraw/zinc/65/44/60/967654460.db2.gz	GYNPNTMPPPQXSK-GUYCJALGSA-N	1	0	355.438	1.976	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCc2c(cccc2N2CCOC2=O)C1	ZINC000852848504	967654505	/nfs/dbraw/zinc/65/45/05/967654505.db2.gz	LMXAEDSOGZYPCV-UHFFFAOYSA-N	1	0	353.422	1.531	20	30		FDEDRO
CN1CCN(C(=O)c2ccccc2NC(=O)C#CC2CC[NH2+]CC2)CC1	ZINC000852857139	967661904	/nfs/dbraw/zinc/66/19/04/967661904.db2.gz	JYGJSKUOLVMJSF-UHFFFAOYSA-N	1	0	354.454	1.016	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCOC[C@H]1c1noc(-c2ccccc2)n1	ZINC000852891447	967692981	/nfs/dbraw/zinc/69/29/81/967692981.db2.gz	YVGWKNIJFVTEKP-KRWDZBQOSA-N	1	0	366.421	1.640	20	30		FDEDRO
CN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CC#Cc4ccccc4)[C@@H]3C2)C1=O	ZINC001190291376	967742280	/nfs/dbraw/zinc/74/22/80/967742280.db2.gz	WPHJTWSHMUXNPC-GBESFXJTSA-N	1	0	351.450	1.192	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO[C@H]1CCOC1	ZINC001110425071	967744541	/nfs/dbraw/zinc/74/45/41/967744541.db2.gz	FJGWKIQGNVNTBI-HCXYKTFWSA-N	1	0	366.502	1.886	20	30		FDEDRO
COc1ccc(CN2C[C@@H]3CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]3C2)cc1C#N	ZINC001190351378	967774556	/nfs/dbraw/zinc/77/45/56/967774556.db2.gz	WYERKOSAIGJUEM-PKOBYXMFSA-N	1	0	370.497	1.940	20	30		FDEDRO
COc1ccccc1[C@H](O)C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000853133045	967849966	/nfs/dbraw/zinc/84/99/66/967849966.db2.gz	GFBHCKFIPPPKPY-VQIMIIECSA-N	1	0	356.422	1.824	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(=O)[nH]c4c3CCCC4)[C@@H]2C1	ZINC001190543254	967940477	/nfs/dbraw/zinc/94/04/77/967940477.db2.gz	PKGJRMNVLGMBLU-HNAYVOBHSA-N	1	0	369.465	1.462	20	30		FDEDRO
C[N@H+](CCNC(=O)OC(C)(C)C)CCNC(=O)c1cccc(C#N)c1F	ZINC001190555430	967948746	/nfs/dbraw/zinc/94/87/46/967948746.db2.gz	WRYJSHFGMDFULC-UHFFFAOYSA-N	1	0	364.421	1.884	20	30		FDEDRO
CC(=NNC(=S)NCCC[NH+](C)C)c1cncc(Br)c1	ZINC000853306189	967964543	/nfs/dbraw/zinc/96/45/43/967964543.db2.gz	SDWNVRKISUVPSJ-UHFFFAOYSA-N	1	0	358.309	1.984	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccsc1)C2	ZINC001110666184	968007594	/nfs/dbraw/zinc/00/75/94/968007594.db2.gz	ATSCSTGNGYHTSN-DZUCGIPZSA-N	1	0	359.495	1.540	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2nnc[nH]2)C3)cc1	ZINC001110430905	968072017	/nfs/dbraw/zinc/07/20/17/968072017.db2.gz	TWIKHVGPSGVPOT-ZACQAIPSSA-N	1	0	350.426	1.531	20	30		FDEDRO
Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1	ZINC000853556621	968116226	/nfs/dbraw/zinc/11/62/26/968116226.db2.gz	GDOOUOMHBIMIDO-IAGOWNOFSA-N	1	0	350.426	1.683	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(Cn2cc3c(c(C#N)c2=O)CCCC3)CCO1	ZINC000853623932	968204565	/nfs/dbraw/zinc/20/45/65/968204565.db2.gz	FOXBSPOVWPCCCY-KRWDZBQOSA-N	1	0	358.486	1.599	20	30		FDEDRO
CN1C(=O)C(=C(N)NOCCc2ccc(C#N)cc2)C(=[NH2+])C12CCCC2	ZINC000853656217	968229310	/nfs/dbraw/zinc/22/93/10/968229310.db2.gz	LCXABVQLCREERO-UHFFFAOYSA-N	1	0	353.426	1.597	20	30		FDEDRO
NC(=[NH+]OCCO[C@@H]1CC1(F)F)c1ccc(N2CCC(O)CC2)cc1	ZINC000853672509	968239562	/nfs/dbraw/zinc/23/95/62/968239562.db2.gz	FJRQNGRLMRKELQ-OAHLLOKOSA-N	1	0	355.385	1.709	20	30		FDEDRO
Cc1cc(N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)nc(N)[nH+]1	ZINC000853824753	968351030	/nfs/dbraw/zinc/35/10/30/968351030.db2.gz	PMYQBBQJMLNYNC-UHFFFAOYSA-N	1	0	360.425	1.956	20	30		FDEDRO
C[C@H](CCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)[NH+](C)C	ZINC000853990528	968504838	/nfs/dbraw/zinc/50/48/38/968504838.db2.gz	PHTBVURBLHKHRL-MGPQQGTHSA-N	1	0	353.467	1.385	20	30		FDEDRO
N#Cc1cc(C(=O)N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)ccn1	ZINC001191557740	968612973	/nfs/dbraw/zinc/61/29/73/968612973.db2.gz	HEUNSHWYOHOAHS-UHFFFAOYSA-N	1	0	350.382	1.330	20	30		FDEDRO
C[C@@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(C#N)c(F)c1	ZINC000776742955	968909032	/nfs/dbraw/zinc/90/90/32/968909032.db2.gz	MBLWXEZAVDZNSF-CJNGLKHVSA-N	1	0	369.462	1.836	20	30		FDEDRO
C=CCCc1ccc(S(=O)(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1	ZINC001192066633	968937167	/nfs/dbraw/zinc/93/71/67/968937167.db2.gz	PJYYZWHPXDPIPG-UHFFFAOYSA-N	1	0	365.499	1.200	20	30		FDEDRO
C#CCN(CC(=O)N1CCOC[C@H]1[C@H]1CCC[N@H+]1C)C(=O)OC(C)(C)C	ZINC000854643886	969048291	/nfs/dbraw/zinc/04/82/91/969048291.db2.gz	ZUQLEPNWFMZYLX-CVEARBPZSA-N	1	0	365.474	1.178	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@H+](C[C@H](Cc2ccccc2)OC)C[C@H]1O	ZINC001192321409	969062271	/nfs/dbraw/zinc/06/22/71/969062271.db2.gz	ZBYSKOHUGXTMDZ-XUVXKRRUSA-N	1	0	358.482	1.599	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H](C)[C@@H]2CN(C)CCO2)c(OC)c1	ZINC000644602763	1013848901	/nfs/dbraw/zinc/84/89/01/1013848901.db2.gz	NLMORIPRVMNDCQ-VPWXQRGCSA-N	1	0	364.486	1.472	20	30		FDEDRO
CCC(CC)NC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C#N)[nH]1)C2	ZINC001110449847	969277576	/nfs/dbraw/zinc/27/75/76/969277576.db2.gz	FOTFNKZPRWXOBF-OIISXLGYSA-N	1	0	357.458	1.526	20	30		FDEDRO
CC(C)(C)C#CC(=O)N[C@@H]1C[N@H+](CCCOc2ccc(F)cc2)C[C@H]1O	ZINC001192813788	969313155	/nfs/dbraw/zinc/31/31/55/969313155.db2.gz	OHNKCZVEYCHFQZ-QZTJIDSGSA-N	1	0	362.445	1.805	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCCCOc2ccccc2)C[C@H]1O	ZINC001192899152	969353399	/nfs/dbraw/zinc/35/33/99/969353399.db2.gz	JLAINDCGGFVVOY-QXAKKESOSA-N	1	0	360.454	1.045	20	30		FDEDRO
C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CCN(S(=O)(=O)CC#N)CC2	ZINC001192950943	969371114	/nfs/dbraw/zinc/37/11/14/969371114.db2.gz	FPGZQMWGDDRDOB-AWEZNQCLSA-N	1	0	369.512	1.657	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCCCn2cncn2)c[nH]1	ZINC001110454004	969486925	/nfs/dbraw/zinc/48/69/25/969486925.db2.gz	SFWYPLSWEJPZGS-KURKYZTESA-N	1	0	367.457	1.683	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(=O)CC)C2)C1	ZINC001193157471	969518949	/nfs/dbraw/zinc/51/89/49/969518949.db2.gz	JZIHHLFJOWMUPX-KZNAEPCWSA-N	1	0	367.534	1.767	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOC[C@H]2CCCCO2)c[nH]1	ZINC001110455618	969530538	/nfs/dbraw/zinc/53/05/38/969530538.db2.gz	HVBGUENGYKYGJM-MKXGPGLRSA-N	1	0	372.469	1.807	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncc(OC)cc2F)C1	ZINC001193585194	969749896	/nfs/dbraw/zinc/74/98/96/969749896.db2.gz	NASRSDLOBHSPOG-HZPDHXFCSA-N	1	0	353.438	1.975	20	30		FDEDRO
C[C@H](C[NH+](C)C)NC(=O)c1cc(I)ccc1C#N	ZINC001193593046	969753903	/nfs/dbraw/zinc/75/39/03/969753903.db2.gz	ROSSSTKFUYURNR-SECBINFHSA-N	1	0	357.195	1.843	20	30		FDEDRO
COc1ccc(C#N)c(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)c1	ZINC001193688396	969812935	/nfs/dbraw/zinc/81/29/35/969812935.db2.gz	FCOPRXPAGMDEMV-UHFFFAOYSA-N	1	0	351.472	1.967	20	30		FDEDRO
COc1ccc(C#N)c(S(=O)(=O)N[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2C)c1	ZINC001193716448	969838775	/nfs/dbraw/zinc/83/87/75/969838775.db2.gz	ONEZZJXLCNJCKK-XJKSGUPXSA-N	1	0	351.472	1.964	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCc3ccccc3)C[C@H]2O)CCOCC1	ZINC001193720245	969841996	/nfs/dbraw/zinc/84/19/96/969841996.db2.gz	TYHZQJYFFBEYQZ-RTBURBONSA-N	1	0	356.466	1.211	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC(F)F)n2)C1	ZINC001193971596	969942808	/nfs/dbraw/zinc/94/28/08/969942808.db2.gz	ZMSVBPPJZXGWOX-HUUCEWRRSA-N	1	0	356.417	1.670	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)nnn3C)C1	ZINC001194137746	970037074	/nfs/dbraw/zinc/03/70/74/970037074.db2.gz	YRMDZKVCNNFLMD-SJLPKXTDSA-N	1	0	359.474	1.714	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(NC(C)=O)CCCCC2)C1	ZINC001194228347	970058379	/nfs/dbraw/zinc/05/83/79/970058379.db2.gz	UENCIWIJGQAOOA-QZTJIDSGSA-N	1	0	365.518	1.733	20	30		FDEDRO
CCCCc1ccc(CC(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2O)cc1	ZINC001194450678	970170355	/nfs/dbraw/zinc/17/03/55/970170355.db2.gz	DCFTYZTVHNYPCB-WOJBJXKFSA-N	1	0	358.482	1.383	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)N(C)C(=O)C3)C1	ZINC001194436378	970191134	/nfs/dbraw/zinc/19/11/34/970191134.db2.gz	GAMVIWHXTJOWEU-FDQGKXFDSA-N	1	0	357.454	1.335	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([C@@H]3CCCCO3)CCC2)C1	ZINC001194631643	970277688	/nfs/dbraw/zinc/27/76/88/970277688.db2.gz	GTQOOLJEJIPJFR-ZACQAIPSSA-N	1	0	352.475	1.090	20	30		FDEDRO
COC(=O)N1CCC([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000776811026	970335682	/nfs/dbraw/zinc/33/56/82/970335682.db2.gz	MJRJXGCIIMSWHO-RHSMWYFYSA-N	1	0	361.442	1.754	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1	ZINC000113360791	970409074	/nfs/dbraw/zinc/40/90/74/970409074.db2.gz	NYRLMCZIFDEMKP-VHEBQXMUSA-N	1	0	353.426	1.652	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(F)cc1F	ZINC001110461675	970425730	/nfs/dbraw/zinc/42/57/30/970425730.db2.gz	CYMOMUUPYIHQCE-OIISXLGYSA-N	1	0	361.392	1.326	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ccc(OC)cc3[nH]2)C1	ZINC001195182714	970727913	/nfs/dbraw/zinc/72/79/13/970727913.db2.gz	ZBQPIHGZDFELTP-QZTJIDSGSA-N	1	0	359.426	1.154	20	30		FDEDRO
C#C[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCCO1	ZINC000775797572	972552839	/nfs/dbraw/zinc/55/28/39/972552839.db2.gz	DCIUDLWYZTVDPZ-QKIJDXRCSA-N	1	0	373.497	1.940	20	30		FDEDRO
C#C[C@H](NCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@@H]1CCCO1	ZINC000775805314	972609805	/nfs/dbraw/zinc/60/98/05/972609805.db2.gz	FULGHRHJWYMRJV-SFTDATJTSA-N	1	0	369.509	1.846	20	30		FDEDRO
C#C[C@@H](NCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@H]1CCCO1	ZINC000775805311	972610524	/nfs/dbraw/zinc/61/05/24/972610524.db2.gz	FULGHRHJWYMRJV-NHCUHLMSSA-N	1	0	369.509	1.846	20	30		FDEDRO
O=S1(=O)CCC[C@@H](NN=Cc2ccc(OCC[NH+]3CCCC3)cc2)C1	ZINC000863128842	972670981	/nfs/dbraw/zinc/67/09/81/972670981.db2.gz	FJHCEJLGRHJDJE-QGZVFWFLSA-N	1	0	365.499	1.662	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)c3ccccc32)C1	ZINC001198020180	972694110	/nfs/dbraw/zinc/69/41/10/972694110.db2.gz	HXYAEZBZBYAFTI-DAXOMENPSA-N	1	0	356.426	1.465	20	30		FDEDRO
C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2c(Cl)cccc2Cl)C1	ZINC001198087670	972741028	/nfs/dbraw/zinc/74/10/28/972741028.db2.gz	ISXOYZVRLVGSMK-ZIAGYGMSSA-N	1	0	359.253	1.971	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(c3ccccc3)C[C@H](F)C2)C1	ZINC001198255807	972936547	/nfs/dbraw/zinc/93/65/47/972936547.db2.gz	UTLHSNPARDRAPE-SOAMZJECSA-N	1	0	362.445	1.420	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COc2ccc(Cl)cc2)C1	ZINC001198292145	972956980	/nfs/dbraw/zinc/95/69/80/972956980.db2.gz	JPVPJZHSCBSQSR-HZPDHXFCSA-N	1	0	354.834	1.083	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)nc3ccccc32)C1	ZINC001198345406	973003202	/nfs/dbraw/zinc/00/32/02/973003202.db2.gz	HMYYENPDIWKTSL-RTBURBONSA-N	1	0	355.438	1.521	20	30		FDEDRO
Cc1nccn1-c1ncccc1C[NH2+]C[C@H](O)COc1ccccc1C#N	ZINC000863551832	973008499	/nfs/dbraw/zinc/00/84/99/973008499.db2.gz	ROGJXMSUJBODMK-SFHVURJKSA-N	1	0	363.421	1.977	20	30		FDEDRO
CN(CCC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)C(=O)OC(C)(C)C	ZINC000863552222	973008930	/nfs/dbraw/zinc/00/89/30/973008930.db2.gz	WLPXZQHJUYFHGQ-HNNXBMFYSA-N	1	0	355.479	1.904	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@H]2CCCN(Cc3ccccc3)C2=O)CCOCC1	ZINC000863554172	973011323	/nfs/dbraw/zinc/01/13/23/973011323.db2.gz	SJSOEVFVVOEEGP-OALUTQOASA-N	1	0	371.481	1.839	20	30		FDEDRO
COc1ccc(OC)c([C@H](O)C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)c1	ZINC000863559732	973016738	/nfs/dbraw/zinc/01/67/38/973016738.db2.gz	UFYPBYVVCAZEHD-WMLDXEAASA-N	1	0	364.442	1.398	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1	ZINC000863585943	973036524	/nfs/dbraw/zinc/03/65/24/973036524.db2.gz	PURPCPVTQSKCCG-OAHLLOKOSA-N	1	0	355.360	1.265	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccc(C(F)(F)F)n2)C1	ZINC001198429592	973095134	/nfs/dbraw/zinc/09/51/34/973095134.db2.gz	BUDRWYLYZYDEMP-JHJVBQTASA-N	1	0	360.380	1.418	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COc2ccc(C)cc2OC)C1	ZINC001198451968	973115683	/nfs/dbraw/zinc/11/56/83/973115683.db2.gz	WVDIYTYGTHXEAH-BRWVUGGUSA-N	1	0	362.470	1.898	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)nc[nH]c3=O)C1	ZINC001198681127	973406315	/nfs/dbraw/zinc/40/63/15/973406315.db2.gz	WBFIZBVYEPNZAT-QZTJIDSGSA-N	1	0	370.453	1.857	20	30		FDEDRO
COc1cc([C@H](C)[NH2+]CCC(=O)N(C)CCC#N)ccc1S(C)(=O)=O	ZINC001198778237	973512587	/nfs/dbraw/zinc/51/25/87/973512587.db2.gz	DHMLUMWJPKKINH-ZDUSSCGKSA-N	1	0	367.471	1.511	20	30		FDEDRO
C=C[C@H](C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1O)c1ccccc1	ZINC001198956298	973740188	/nfs/dbraw/zinc/74/01/88/973740188.db2.gz	TZVSRRPXFQUIKY-IPMKNSEASA-N	1	0	354.454	1.094	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc(OC(C)C)cc2)C1	ZINC001198962610	973746721	/nfs/dbraw/zinc/74/67/21/973746721.db2.gz	KHRVXUWPBLJAAV-RTBURBONSA-N	1	0	362.470	1.380	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nnc(C)n3C2)C1	ZINC001198974982	973766827	/nfs/dbraw/zinc/76/68/27/973766827.db2.gz	IOISSVDDDSDHCQ-BRWVUGGUSA-N	1	0	363.506	1.281	20	30		FDEDRO
CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC#Cc2ccccc2)C1)C1CCC1	ZINC001198944895	973784420	/nfs/dbraw/zinc/78/44/20/973784420.db2.gz	PTSFAIKTLUWFSA-VAMGGRTRSA-N	1	0	356.466	1.405	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C	ZINC000864793081	973831582	/nfs/dbraw/zinc/83/15/82/973831582.db2.gz	QXSTYJVMZHHRDC-INIZCTEOSA-N	1	0	360.458	1.972	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c(C)c(C)sc2=O)C1	ZINC001199081165	973901968	/nfs/dbraw/zinc/90/19/68/973901968.db2.gz	FDNXNPDQBRVRHJ-HZPDHXFCSA-N	1	0	369.531	1.658	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@]3(C#N)CCCOC3)cc2)CC1	ZINC000864879715	973917646	/nfs/dbraw/zinc/91/76/46/973917646.db2.gz	OUDHVRMDDIWAHS-NRFANRHFSA-N	1	0	370.497	1.761	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nnc2-c2ccccc2)C1	ZINC001199152786	973963909	/nfs/dbraw/zinc/96/39/09/973963909.db2.gz	DCLBZFDGFIWWSO-IAGOWNOFSA-N	1	0	369.469	1.993	20	30		FDEDRO
CCO[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)[C@H]1CCOC1	ZINC000865040537	974034008	/nfs/dbraw/zinc/03/40/08/974034008.db2.gz	RULPUFSPNGUZMM-OALUTQOASA-N	1	0	359.470	1.890	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@](C)(NC(C)=O)C(C)C)C1	ZINC001199261987	974095434	/nfs/dbraw/zinc/09/54/34/974095434.db2.gz	VUXHYRBSPLBLHK-ZHALLVOQSA-N	1	0	355.523	1.669	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1	ZINC000645280027	1014183386	/nfs/dbraw/zinc/18/33/86/1014183386.db2.gz	JHVJOLVZLIQXSX-SFHVURJKSA-N	1	0	359.470	1.735	20	30		FDEDRO
NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC([NH2+]CC#Cc3ccccc3)CC2)C1	ZINC001202518260	974360841	/nfs/dbraw/zinc/36/08/41/974360841.db2.gz	QHJGKPCQWVCXLG-MSOLQXFVSA-N	1	0	353.466	1.520	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cc1ccccc1	ZINC001110550592	974723685	/nfs/dbraw/zinc/72/36/85/974723685.db2.gz	WNBVXCOJSBAYOI-WCIQWLHISA-N	1	0	356.466	1.351	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)CCc1ccccc1	ZINC001110551031	974734144	/nfs/dbraw/zinc/73/41/44/974734144.db2.gz	LXKSBHBSYZLGKN-MHTWAQMVSA-N	1	0	370.493	1.742	20	30		FDEDRO
C=CCOC(=O)N[C@@H]1CCCN(C(=S)NCC[NH+]2CCCCC2)C1	ZINC001200427121	974783779	/nfs/dbraw/zinc/78/37/79/974783779.db2.gz	ABEIDMCNCYABCD-OAHLLOKOSA-N	1	0	354.520	1.723	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCn2cccn2)C1	ZINC001200528457	974807686	/nfs/dbraw/zinc/80/76/86/974807686.db2.gz	LGIOGTUQUHHCNS-KSZLIROESA-N	1	0	362.474	1.071	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H](O)COCC(C)C)CC1	ZINC001200636251	974853092	/nfs/dbraw/zinc/85/30/92/974853092.db2.gz	HZLSLPNUVMWEIG-QRVBRYPASA-N	1	0	368.518	1.582	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)CCCO1	ZINC001200720640	974881323	/nfs/dbraw/zinc/88/13/23/974881323.db2.gz	BTXIKKPPBCASOM-KURKYZTESA-N	1	0	361.486	1.008	20	30		FDEDRO
C=CCOCC[NH2+]C[C@H]1CN(C(=O)[C@]23CCC[C@H]2OCC3)CCCO1	ZINC001200944116	974942756	/nfs/dbraw/zinc/94/27/56/974942756.db2.gz	GBMIXQXLICVMSW-SCTDSRPQSA-N	1	0	352.475	1.355	20	30		FDEDRO
Cc1ccc(S(=O)(=O)[N-]c2cccnc2N2CCN(C)CC2)cc1C#N	ZINC001201293360	974989981	/nfs/dbraw/zinc/98/99/81/974989981.db2.gz	VUESORNUDNQCRU-UHFFFAOYSA-N	1	0	371.466	1.814	20	30		FDEDRO
C[C@@H]1CC[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC#Cc3ccccc3)C2)O1	ZINC001201449127	975065819	/nfs/dbraw/zinc/06/58/19/975065819.db2.gz	ZMPFIJSCMWECAC-MISYRCLQSA-N	1	0	356.466	1.813	20	30		FDEDRO
COCC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(C)c2)CCCO1	ZINC001201611352	975097739	/nfs/dbraw/zinc/09/77/39/975097739.db2.gz	DIUFGPGKUXWTMS-PCCBWWKXSA-N	1	0	370.493	1.955	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCCCCOC)C1	ZINC001201622007	975100724	/nfs/dbraw/zinc/10/07/24/975100724.db2.gz	SEAZMJKBRVZIKY-FHWLQOOXSA-N	1	0	368.518	1.991	20	30		FDEDRO
C#C[C@H]1CCCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1	ZINC000847309225	975452226	/nfs/dbraw/zinc/45/22/26/975452226.db2.gz	GYJPGOLHXWGQTA-SFHVURJKSA-N	1	0	370.501	1.434	20	30		FDEDRO
Cc1nn(-c2ccccc2)c(N)c1C=NNC(=S)NCCC[NH+](C)C	ZINC000794908101	975527564	/nfs/dbraw/zinc/52/75/64/975527564.db2.gz	DMKARDMBILWUPZ-UHFFFAOYSA-N	1	0	359.503	1.513	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)n1	ZINC000847445871	975634689	/nfs/dbraw/zinc/63/46/89/975634689.db2.gz	IENCZRWJCAOFGJ-RBUKOAKNSA-N	1	0	373.501	1.691	20	30		FDEDRO
C#C[C@H]1CCCN(C(=O)C(=O)Nc2ccnn2C2CC[NH+](CC)CC2)C1	ZINC000847561501	975828341	/nfs/dbraw/zinc/82/83/41/975828341.db2.gz	BNFYTKUAQNETIG-HNNXBMFYSA-N	1	0	357.458	1.350	20	30		FDEDRO
C=CCCC[N@@H+](C)CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O	ZINC000121144060	975829841	/nfs/dbraw/zinc/82/98/41/975829841.db2.gz	YQVRJYYCSNXIPZ-HXUWFJFHSA-N	1	0	372.469	1.859	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H]([NH2+]C1CCN(CCN3CCOCC3)CC1)C2	ZINC000866617510	975836865	/nfs/dbraw/zinc/83/68/65/975836865.db2.gz	KLKAXBJBJWXMSG-OAQYLSRUSA-N	1	0	354.498	1.412	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CC[NH+](C(C)(C)CC)CC1	ZINC000847574134	975850602	/nfs/dbraw/zinc/85/06/02/975850602.db2.gz	IJZAMFONOUPBPW-UHFFFAOYSA-N	1	0	357.454	1.970	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1	ZINC000866666662	975889290	/nfs/dbraw/zinc/88/92/90/975889290.db2.gz	UHPZNPJWJMGANG-GBESFXJTSA-N	1	0	357.454	1.991	20	30		FDEDRO
N#CCOc1cccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1	ZINC000847605641	975900773	/nfs/dbraw/zinc/90/07/73/975900773.db2.gz	FIYSTFLMBJRHTE-DLBZAZTESA-N	1	0	356.426	1.661	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1	ZINC000866816150	976093430	/nfs/dbraw/zinc/09/34/30/976093430.db2.gz	XDZDYKPTKBINIX-KRWDZBQOSA-N	1	0	351.472	1.952	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC000958166719	1014318658	/nfs/dbraw/zinc/31/86/58/1014318658.db2.gz	ZWBWCUHNCQOOEH-RHSMWYFYSA-N	1	0	357.458	1.195	20	30		FDEDRO
Cc1cccc(N2CC[NH+](CCC(=O)N[C@H]3CCCN(O)C3=O)CC2)c1	ZINC000848136691	976367235	/nfs/dbraw/zinc/36/72/35/976367235.db2.gz	PXWDCZWNIDGSFF-KRWDZBQOSA-N	1	0	360.458	1.004	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[N@@H+](C)C(C)(C)CC2)c1	ZINC000867682097	976627045	/nfs/dbraw/zinc/62/70/45/976627045.db2.gz	ZQUOPYPOKMNEQR-UHFFFAOYSA-N	1	0	365.499	1.707	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1	ZINC000848397285	976718181	/nfs/dbraw/zinc/71/81/81/976718181.db2.gz	YRQXLDCHWHOTMK-GOEBONIOSA-N	1	0	358.442	1.945	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N1CCc2c(cccc2N2CCOC2=O)C1	ZINC000848403280	976720370	/nfs/dbraw/zinc/72/03/70/976720370.db2.gz	PYXGZMNGWRSBGJ-MRXNPFEDSA-N	1	0	356.426	1.939	20	30		FDEDRO
C[C@@]1(c2ccc(-c3noc([C@@H](N)CCCCC#N)n3)cc2)NC(=O)NC1=O	ZINC000848623193	976958677	/nfs/dbraw/zinc/95/86/77/976958677.db2.gz	CDXRDGVBODJRLE-UGSOOPFHSA-N	1	0	368.397	1.875	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000848774207	977082664	/nfs/dbraw/zinc/08/26/64/977082664.db2.gz	KMJXWOIZJZKKOQ-ZBFHGGJFSA-N	1	0	359.426	1.452	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC(OC[C@H]2CCCO2)CC1	ZINC000867942666	977120240	/nfs/dbraw/zinc/12/02/40/977120240.db2.gz	FFEBTCRQJYMDGR-QUCCMNQESA-N	1	0	369.465	1.932	20	30		FDEDRO
CCNC(=O)c1cccc(CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)c1	ZINC000867942989	977120408	/nfs/dbraw/zinc/12/04/08/977120408.db2.gz	ITEDZGVMDWEBMI-IBGZPJMESA-N	1	0	362.433	1.811	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1	ZINC000867952191	977132561	/nfs/dbraw/zinc/13/25/61/977132561.db2.gz	VPOIRSRXXXOWOE-OXQOHEQNSA-N	1	0	360.417	1.667	20	30		FDEDRO
COC(=O)[C@@H](NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)c1ccccc1F	ZINC000867953275	977134358	/nfs/dbraw/zinc/13/43/58/977134358.db2.gz	RQTUJQKXMDJMGP-ROUUACIJSA-N	1	0	367.380	1.915	20	30		FDEDRO
COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000867953508	977135472	/nfs/dbraw/zinc/13/54/72/977135472.db2.gz	YKKAOZVHVIBDKC-MOPGFXCFSA-N	1	0	363.417	1.646	20	30		FDEDRO
N#Cc1ccc2c(c1)CCN[C@H]2C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1	ZINC000867964875	977149050	/nfs/dbraw/zinc/14/90/50/977149050.db2.gz	URXVFKUYTQZGNI-LJQANCHMSA-N	1	0	362.437	1.188	20	30		FDEDRO
COC(=O)N1CCC([C@@H](C)NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000867976096	977158474	/nfs/dbraw/zinc/15/84/74/977158474.db2.gz	UPQCUVATIBXERU-ACJLOTCBSA-N	1	0	370.453	1.728	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC(Cn2ccnn2)CC1	ZINC000867977540	977161488	/nfs/dbraw/zinc/16/14/88/977161488.db2.gz	KDCYVHMDPHSYDX-GOSISDBHSA-N	1	0	350.426	1.275	20	30		FDEDRO
CC(=O)NCc1ccc(CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)cc1	ZINC000867983353	977167495	/nfs/dbraw/zinc/16/74/95/977167495.db2.gz	OJBYZACESFDGCZ-HXUWFJFHSA-N	1	0	362.433	1.698	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1CCC[C@H](C(F)(F)F)C1	ZINC000848993602	977286493	/nfs/dbraw/zinc/28/64/93/977286493.db2.gz	QIHCETMBJNUBCB-KGLIPLIRSA-N	1	0	350.429	1.852	20	30		FDEDRO
CCOCCC[NH+]=C(NCc1ccc(OC)cc1)NC[C@@H]1COCCO1	ZINC000849011793	977290444	/nfs/dbraw/zinc/29/04/44/977290444.db2.gz	KNHZTYGSIYOIHA-GOSISDBHSA-N	1	0	365.474	1.572	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCCNc2ccc(C#N)cn2)cc1OC	ZINC000849072004	977302592	/nfs/dbraw/zinc/30/25/92/977302592.db2.gz	YNCWURNBDYXXQM-UHFFFAOYSA-N	1	0	368.441	1.739	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1C#N	ZINC000868252413	977396355	/nfs/dbraw/zinc/39/63/55/977396355.db2.gz	IGFNLFYWVQFMAH-UONOGXRCSA-N	1	0	356.426	1.353	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)NCC1([NH+]3CCCC3)CCOCC1)C2	ZINC000868287058	977448946	/nfs/dbraw/zinc/44/89/46/977448946.db2.gz	TVWWRTKXKOVKIK-LJQANCHMSA-N	1	0	368.481	1.970	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1	ZINC000868293646	977460878	/nfs/dbraw/zinc/46/08/78/977460878.db2.gz	CNHKCWLXSCJVSP-AWEZNQCLSA-N	1	0	361.417	1.671	20	30		FDEDRO
Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2cc(C#N)ccc2F)cn1	ZINC000849554382	977738491	/nfs/dbraw/zinc/73/84/91/977738491.db2.gz	MVNYEFDGCMYAMG-DLBZAZTESA-N	1	0	355.417	1.783	20	30		FDEDRO
CN(CCc1cccc(C#N)c1)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	ZINC000868579153	977787098	/nfs/dbraw/zinc/78/70/98/977787098.db2.gz	RVXTUKNBAALJMW-UHFFFAOYSA-N	1	0	357.502	1.768	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)cc1	ZINC000849599740	977820778	/nfs/dbraw/zinc/82/07/78/977820778.db2.gz	OLXCXMSLNPAPAT-VQTJNVASSA-N	1	0	366.465	1.784	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCNS(C)(=O)=O)C2	ZINC001110618942	978130103	/nfs/dbraw/zinc/13/01/03/978130103.db2.gz	JMKFPVKOOYESMK-OAGGEKHMSA-N	1	0	359.536	1.618	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000850506327	978406444	/nfs/dbraw/zinc/40/64/44/978406444.db2.gz	ISJYJUCBWHNFKS-CYBMUJFWSA-N	1	0	362.405	1.656	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(c2nc(C)ns2)CC1	ZINC001110630104	978875886	/nfs/dbraw/zinc/87/58/86/978875886.db2.gz	LNJUBDCINYLISE-CZUORRHYSA-N	1	0	361.515	1.617	20	30		FDEDRO
C#C[C@H]1COCCN1C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)c(F)c1	ZINC000851675704	978993060	/nfs/dbraw/zinc/99/30/60/978993060.db2.gz	YMEDBNDATQCANM-ZOBUZTSGSA-N	1	0	361.417	1.323	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)c1	ZINC000851684822	978996989	/nfs/dbraw/zinc/99/69/89/978996989.db2.gz	IOMHUSPLOJRWKZ-IBGZPJMESA-N	1	0	353.466	1.522	20	30		FDEDRO
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@H+]2CC[C@H](CF)C2)CC1	ZINC000880299770	979077960	/nfs/dbraw/zinc/07/79/60/979077960.db2.gz	XRPDFXQYGZXVGB-CRAIPNDOSA-N	1	0	362.424	1.826	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@H+]2C[C@H]3CN(C(C)=O)C[C@H]3C2)c(OC)c1	ZINC000880308497	979084488	/nfs/dbraw/zinc/08/44/88/979084488.db2.gz	HOUYJJSXCYMYBB-OTWHNJEPSA-N	1	0	374.481	1.574	20	30		FDEDRO
COc1cccc2c1CC[C@@]2(CO)[NH2+]CC(=O)Nc1cccc(C#N)c1	ZINC000880381110	979145858	/nfs/dbraw/zinc/14/58/58/979145858.db2.gz	PRUORDJIEQVLAP-FQEVSTJZSA-N	1	0	351.406	1.929	20	30		FDEDRO
COc1cccc2c1CC[C@]2(CO)[NH2+]C[C@@H](O)CC1(C#N)CCOCC1	ZINC000880383080	979146746	/nfs/dbraw/zinc/14/67/46/979146746.db2.gz	ZQQPGXNPEUPPFP-MGPUTAFESA-N	1	0	360.454	1.490	20	30		FDEDRO
C#C[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)C1CCOCC1	ZINC000851940939	979205745	/nfs/dbraw/zinc/20/57/45/979205745.db2.gz	FLBCKQRQCQEXHL-GOSISDBHSA-N	1	0	371.485	1.061	20	30		FDEDRO
C#CCC1(O)CC[NH+]([C@H](C)C(=O)N(C)Cc2ccc(OC)c(OC)c2)CC1	ZINC000880479774	979220741	/nfs/dbraw/zinc/22/07/41/979220741.db2.gz	XVHOHGRYRQQFFQ-MRXNPFEDSA-N	1	0	374.481	1.901	20	30		FDEDRO
C#CCC1(O)CCN([C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000880481731	979221839	/nfs/dbraw/zinc/22/18/39/979221839.db2.gz	ZWXAGXIMDLWRRG-AZUAARDMSA-N	1	0	369.509	1.616	20	30		FDEDRO
C#CCNC(=O)CC[N@H+]1CC[C@@]2(C1)CN(Cc1ccccc1)C[C@H](C)O2	ZINC000880498569	979246088	/nfs/dbraw/zinc/24/60/88/979246088.db2.gz	NCWUCBYTEAOXHS-GHTZIAJQSA-N	1	0	355.482	1.491	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC4(CC3)COCCO4)C2=O)cc1	ZINC000880546227	979290120	/nfs/dbraw/zinc/29/01/20/979290120.db2.gz	PXGRMNRFAHJRSL-GOSISDBHSA-N	1	0	355.438	1.935	20	30		FDEDRO
C#C[C@@H](NC(=O)NCCc1ccc(OCC[NH+](C)C)cc1)C1CCOCC1	ZINC000852060420	979315022	/nfs/dbraw/zinc/31/50/22/979315022.db2.gz	DXIIWBZJNWWHSI-HXUWFJFHSA-N	1	0	373.497	1.897	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCC[S@@](=O)CC(F)(F)F)CC1	ZINC000852072825	979327996	/nfs/dbraw/zinc/32/79/96/979327996.db2.gz	KHNDQVKPJHXJJE-HSZRJFAPSA-N	1	0	355.426	1.637	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC(N3CCOC3=O)CC2)CC1	ZINC000852072745	979328230	/nfs/dbraw/zinc/32/82/30/979328230.db2.gz	HZJGZGPGBBWITQ-UHFFFAOYSA-N	1	0	350.463	1.653	20	30		FDEDRO
C#C[C@](C)(CC)[NH2+][C@@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F	ZINC000852098106	979350072	/nfs/dbraw/zinc/35/00/72/979350072.db2.gz	FSCMXQZQFRNGNJ-DYZYQPBXSA-N	1	0	355.360	1.939	20	30		FDEDRO
CC[N@H+]1[C@H](C)CN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C[C@@H]1C	ZINC000880609248	979350456	/nfs/dbraw/zinc/35/04/56/979350456.db2.gz	SGHFAJSZZOFORL-OKILXGFUSA-N	1	0	352.442	1.881	20	30		FDEDRO
N#CCOc1cccc(CC(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c1	ZINC000881475450	979968626	/nfs/dbraw/zinc/96/86/26/979968626.db2.gz	WXZXGPHJJUWMQG-GOSISDBHSA-N	1	0	357.454	1.891	20	30		FDEDRO
C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1	ZINC000645618540	1014630532	/nfs/dbraw/zinc/63/05/32/1014630532.db2.gz	LBOMZYPQMZLRCL-PXNSSMCTSA-N	1	0	374.444	1.582	20	30		FDEDRO
C=CCCc1ccc(S(=O)(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1	ZINC000881867027	980231489	/nfs/dbraw/zinc/23/14/89/980231489.db2.gz	HWAWOXGGAWUDLW-MRXNPFEDSA-N	1	0	351.516	1.719	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cc1	ZINC000645620933	1014642412	/nfs/dbraw/zinc/64/24/12/1014642412.db2.gz	GIYASPNJIGFFFW-CJNGLKHVSA-N	1	0	371.441	1.095	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)N=[S@@](C)(=O)N(C)C)C(C)C	ZINC000882100838	980423356	/nfs/dbraw/zinc/42/33/56/980423356.db2.gz	MDPHGAAQDVLMDE-JLCFBVMHSA-N	1	0	366.553	1.094	20	30		FDEDRO
COc1cc(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)ccc1C#N	ZINC000882637431	980774942	/nfs/dbraw/zinc/77/49/42/980774942.db2.gz	NQMWUVXXCATFLO-GOSISDBHSA-N	1	0	372.469	1.093	20	30		FDEDRO
Cc1cc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)ncc1Br	ZINC000858137284	981854386	/nfs/dbraw/zinc/85/43/86/981854386.db2.gz	LLEFOXHFAQXQHC-PFONDFGASA-N	1	0	365.231	1.769	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCN(C(=O)Nc3ccc(Br)c(C#N)n3)[C@@H]2C1	ZINC000883109801	981952891	/nfs/dbraw/zinc/95/28/91/981952891.db2.gz	DXVKNXKEEVMQLL-JOYOIKCWSA-N	1	0	350.220	1.884	20	30		FDEDRO
C=C(C)C[C@H](CO)NC(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1	ZINC000883111857	981954719	/nfs/dbraw/zinc/95/47/19/981954719.db2.gz	RJUQSLMRTPHUTB-QGZVFWFLSA-N	1	0	361.490	1.350	20	30		FDEDRO
C=CCC[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)[C@@H]1Cc2ccccc2O1	ZINC000883192266	982006567	/nfs/dbraw/zinc/00/65/67/982006567.db2.gz	UTOQBLXXTRNQRJ-WMZOPIPTSA-N	1	0	365.495	1.854	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCc2ccccc21)N1CCN(c2ncccn2)CC1	ZINC000131470564	982063300	/nfs/dbraw/zinc/06/33/00/982063300.db2.gz	CMVIPUAGFJNQFI-QGZVFWFLSA-N	1	0	350.470	1.904	20	30		FDEDRO
C[C@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(OCC#N)cc1	ZINC000858488964	982075035	/nfs/dbraw/zinc/07/50/35/982075035.db2.gz	OUGXLUXCPHHQQU-HOCLYGCPSA-N	1	0	363.425	1.956	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCc2cc(C(=O)OC)c(C)n2C)CC1	ZINC000883342265	982086309	/nfs/dbraw/zinc/08/63/09/982086309.db2.gz	QWZBHTMCLYNRMP-UHFFFAOYSA-N	1	0	362.474	1.960	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+][C@H]3CCCN(CCN4CCOCC4)C3)n2c1	ZINC000883372369	982101901	/nfs/dbraw/zinc/10/19/01/982101901.db2.gz	YJJRKOPRSAGRGZ-SFHVURJKSA-N	1	0	368.485	1.092	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CC1	ZINC000858723299	982246424	/nfs/dbraw/zinc/24/64/24/982246424.db2.gz	MHVLIVVQFJBODO-SFHVURJKSA-N	1	0	360.502	1.564	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1	ZINC000883609055	982305801	/nfs/dbraw/zinc/30/58/01/982305801.db2.gz	NBFZLHDLMQLPGN-GJZGRUSLSA-N	1	0	355.442	1.324	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)n1	ZINC000883611023	982308433	/nfs/dbraw/zinc/30/84/33/982308433.db2.gz	MIHZPCKVUVPYMY-HNNXBMFYSA-N	1	0	355.442	1.324	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1	ZINC000883670635	982366616	/nfs/dbraw/zinc/36/66/16/982366616.db2.gz	OHCZFPVPCQMUTI-NJAFHUGGSA-N	1	0	351.491	1.910	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCOCC1	ZINC000859055432	982487410	/nfs/dbraw/zinc/48/74/10/982487410.db2.gz	JZDXJHBOYQILQS-SFHVURJKSA-N	1	0	374.441	1.788	20	30		FDEDRO
C#CCN1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)CC1	ZINC000859357976	982743390	/nfs/dbraw/zinc/74/33/90/982743390.db2.gz	ZUKJGDBRLYGNJD-LEWJYISDSA-N	1	0	351.494	1.922	20	30		FDEDRO
CCN(CC(=O)NCc1ccc(F)cc1)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884051953	982767901	/nfs/dbraw/zinc/76/79/01/982767901.db2.gz	YXTGMPPRMLZNAN-NGEICVOHSA-N	1	0	372.444	1.430	20	30		FDEDRO
C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884058233	982786140	/nfs/dbraw/zinc/78/61/40/982786140.db2.gz	FEQLCOTYPWFUOT-DSRNLFJRSA-N	1	0	364.453	1.926	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NCc2ccc(CS(C)(=O)=O)cc2)C1	ZINC000884066858	982813909	/nfs/dbraw/zinc/81/39/09/982813909.db2.gz	LSKSWTCFKACNAB-QGZVFWFLSA-N	1	0	363.483	1.128	20	30		FDEDRO
COC(=O)[C@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c2ccccc2O1	ZINC000884084088	982840575	/nfs/dbraw/zinc/84/05/75/982840575.db2.gz	HKQXIVYOKFTWGT-VASJYLSYSA-N	1	0	355.394	1.093	20	30		FDEDRO
CN(CC(=O)Nc1cccc(Cl)c1)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884090728	982851401	/nfs/dbraw/zinc/85/14/01/982851401.db2.gz	DMIHDYHRPBZKBD-XYEKJYRLSA-N	1	0	360.845	1.876	20	30		FDEDRO
CCOC(=O)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)Cc1ccccc1	ZINC000884107855	982878063	/nfs/dbraw/zinc/87/80/63/982878063.db2.gz	HJZFPIJPQMAELC-LWLAFGSWSA-N	1	0	369.465	1.664	20	30		FDEDRO
C[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccc2c(c1)CC(=O)N2C	ZINC000884124421	982906354	/nfs/dbraw/zinc/90/63/54/982906354.db2.gz	XUDUTDNCKWYTTR-JEDQCGLWSA-N	1	0	352.438	1.522	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@H](O)c1c(F)cccc1Cl)C2	ZINC000884151732	982930634	/nfs/dbraw/zinc/93/06/34/982930634.db2.gz	SRPGCECWCQFOOA-APZPJJSNSA-N	1	0	351.809	1.768	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1ccc(CN3CCOCC3)cc1)C2	ZINC000884179270	982951826	/nfs/dbraw/zinc/95/18/26/982951826.db2.gz	KDPRREDWFKKJID-GNZRSQJKSA-N	1	0	354.454	1.597	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCN(CCOc3ccccc3)CC1)C2	ZINC000884179217	982951927	/nfs/dbraw/zinc/95/19/27/982951927.db2.gz	IMEKBDJPAFYHFP-IDYZSHNDSA-N	1	0	368.481	1.349	20	30		FDEDRO
Cn1ccnc1[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccc(F)cc1	ZINC000884181482	982956666	/nfs/dbraw/zinc/95/66/66/982956666.db2.gz	HIKAAEOADKBHTQ-RHELOZEPSA-N	1	0	367.428	1.904	20	30		FDEDRO
COc1cccc(N2CC[C@@H](CNC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)C2)c1	ZINC000884207985	982984048	/nfs/dbraw/zinc/98/40/48/982984048.db2.gz	LZTXOTZXBXTBSD-DILDSAGESA-N	1	0	368.481	1.777	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@H](C#N)Cc3ccc(C#N)cc3)CC2)CCO1	ZINC000332062686	982987454	/nfs/dbraw/zinc/98/74/54/982987454.db2.gz	QFILJWGEIZWDLD-APWZRJJASA-N	1	0	366.465	1.952	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCN(c3ncccc3Cl)C1)C2	ZINC000884228531	983003010	/nfs/dbraw/zinc/00/30/10/983003010.db2.gz	RXPWMQXEPXXUEP-OOWFEOPPSA-N	1	0	359.861	1.569	20	30		FDEDRO
CCN(C[C@@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1)CC(F)(F)F	ZINC000884230225	983003996	/nfs/dbraw/zinc/00/39/96/983003996.db2.gz	MKVIFZNOGBARMX-UJEKJILKSA-N	1	0	372.435	1.858	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCN(c3c(F)cccc3F)C1)C2	ZINC000884232421	983006714	/nfs/dbraw/zinc/00/67/14/983006714.db2.gz	QOSROMXSKHWUFL-AWTNTWDUSA-N	1	0	360.408	1.799	20	30		FDEDRO
C[C@@H]1C[C@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CC(=O)N1	ZINC000332517149	983067102	/nfs/dbraw/zinc/06/71/02/983067102.db2.gz	HYDYNEKGQKMTNM-WBVHZDCISA-N	1	0	354.454	1.576	20	30		FDEDRO
Cc1nc(N2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CC2)sc1C	ZINC000884315374	983077410	/nfs/dbraw/zinc/07/74/10/983077410.db2.gz	NGMYWTZTJWSYFV-SWKXRBFHSA-N	1	0	359.499	1.548	20	30		FDEDRO
Cc1c(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)nnn1Cc1ccccc1F	ZINC000884334944	983094182	/nfs/dbraw/zinc/09/41/82/983094182.db2.gz	GJKBMSYAZOESMX-XAUUPUKJSA-N	1	0	368.416	1.852	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1	ZINC000884406411	983141439	/nfs/dbraw/zinc/14/14/39/983141439.db2.gz	ULZZGCWAEDNZQQ-ROUUACIJSA-N	1	0	359.470	1.208	20	30		FDEDRO
C#CCN(C(=O)C12CC[NH+](CC1)C2)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000923685421	983278462	/nfs/dbraw/zinc/27/84/62/983278462.db2.gz	LYJIZQWVJFUWCG-UHFFFAOYSA-N	1	0	361.486	1.944	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1	ZINC000968401852	1014937010	/nfs/dbraw/zinc/93/70/10/1014937010.db2.gz	KEQCWWHJRYPOEG-CVEARBPZSA-N	1	0	363.502	1.153	20	30		FDEDRO
C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2	ZINC000860426117	983390483	/nfs/dbraw/zinc/39/04/83/983390483.db2.gz	TYMFIJMEDINLQI-WMZOPIPTSA-N	1	0	354.450	1.970	20	30		FDEDRO
C#CCNC(=O)[C@H](C)OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2	ZINC000860426112	983390969	/nfs/dbraw/zinc/39/09/69/983390969.db2.gz	TYMFIJMEDINLQI-FUHWJXTLSA-N	1	0	354.450	1.970	20	30		FDEDRO
N#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(c3ccccc3)CCC1)C2	ZINC001110785399	983426804	/nfs/dbraw/zinc/42/68/04/983426804.db2.gz	SDDVFHMMTUIZNU-KURKYZTESA-N	1	0	366.465	1.470	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1	ZINC000653197284	1014944646	/nfs/dbraw/zinc/94/46/46/1014944646.db2.gz	XMVOIUYADMPCFA-YJBOKZPZSA-N	1	0	363.483	1.352	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@]1(C)C[C@H](OC)CN1C(=O)OC(C)(C)C	ZINC000861838227	983949512	/nfs/dbraw/zinc/94/95/12/983949512.db2.gz	VQRBIHRYNSTIBZ-KXBFYZLASA-N	1	0	367.490	1.472	20	30		FDEDRO
C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C[C@H]21	ZINC000861914953	983990712	/nfs/dbraw/zinc/99/07/12/983990712.db2.gz	YCIKHRORFIMVCU-XUWVNRHRSA-N	1	0	364.490	1.982	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1	ZINC000862091317	984104272	/nfs/dbraw/zinc/10/42/72/984104272.db2.gz	IOKVYOCTNJXLNN-INIZCTEOSA-N	1	0	373.428	1.909	20	30		FDEDRO
C=CCCC[C@H]([NH3+])C(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1	ZINC001588784977	984178863	/nfs/dbraw/zinc/17/88/63/984178863.db2.gz	DSOLHCPPHNHXPJ-KRWDZBQOSA-N	1	0	360.458	1.515	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@H+](C)C[C@@H](C(=O)[O-])C1)C(C)C	ZINC001588826620	984305212	/nfs/dbraw/zinc/30/52/12/984305212.db2.gz	NANLKTIXYAFZSZ-SJORKVTESA-N	1	0	366.506	1.343	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+]C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C	ZINC000862311893	984322800	/nfs/dbraw/zinc/32/28/00/984322800.db2.gz	VYADMAITRCPJIC-GFCCVEGCSA-N	1	0	368.446	1.822	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[NH2+]CCn1cnc(C#N)n1	ZINC000862365621	984360653	/nfs/dbraw/zinc/36/06/53/984360653.db2.gz	UZYYZYFEZWMAIB-LLVKDONJSA-N	1	0	356.377	1.384	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH+]2CCC(n3cc(C(N)=O)nn3)CC2)cc1	ZINC000862483362	984399505	/nfs/dbraw/zinc/39/95/05/984399505.db2.gz	LCADUNZRWDDDII-CYBMUJFWSA-N	1	0	354.414	1.505	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1OCC[C@H]1CC	ZINC001114430843	984625669	/nfs/dbraw/zinc/62/56/69/984625669.db2.gz	JLNPSEBTFSINFY-SMYFESCOSA-N	1	0	361.486	1.049	20	30		FDEDRO
N#CCCc1ccc(S(=O)(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1	ZINC000923688967	984648249	/nfs/dbraw/zinc/64/82/49/984648249.db2.gz	UWFRHTPRWOSPPY-MRXNPFEDSA-N	1	0	363.483	1.661	20	30		FDEDRO
C=CCCC[C@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccccc1	ZINC000884723614	984729895	/nfs/dbraw/zinc/72/98/95/984729895.db2.gz	RPIYXJNUSDFBLW-ROUUACIJSA-N	1	0	359.470	1.695	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCOc3ccccc3[C@H]2C(=O)OC)CC1	ZINC000884851735	984882350	/nfs/dbraw/zinc/88/23/50/984882350.db2.gz	LLWYGMCTJDGLFV-SFHVURJKSA-N	1	0	356.422	1.467	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1	ZINC000884855471	984892478	/nfs/dbraw/zinc/89/24/78/984892478.db2.gz	HLKSBZRVEBMTPF-SJORKVTESA-N	1	0	365.518	1.840	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000884855356	984892743	/nfs/dbraw/zinc/89/27/43/984892743.db2.gz	DNCVAWHRAPFCPN-YESZJQIVSA-N	1	0	365.518	1.840	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCC[C@@H](C[NH+]3CCOCC3)C1)C2	ZINC000869192452	984936233	/nfs/dbraw/zinc/93/62/33/984936233.db2.gz	SZYBWNNRLQQKAP-PXNSSMCTSA-N	1	0	368.481	1.779	20	30		FDEDRO
C[NH+](C)C1CCN(CCNS(=O)(=O)c2ccc(CCC#N)cc2)CC1	ZINC000885042300	985132184	/nfs/dbraw/zinc/13/21/84/985132184.db2.gz	LZRIXQJFQPPSMJ-UHFFFAOYSA-N	1	0	364.515	1.447	20	30		FDEDRO
Cc1nc[nH]c(=O)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1	ZINC001095897174	1015105982	/nfs/dbraw/zinc/10/59/82/1015105982.db2.gz	ADXLEWRYGLGISW-IKGGRYGDSA-N	1	0	363.421	1.898	20	30		FDEDRO
C#CCN1CCN(C(=O)CN2CCC[C@@H](Oc3ccccc3OC)C2)CC1	ZINC000796567203	1015153980	/nfs/dbraw/zinc/15/39/80/1015153980.db2.gz	QQDNEROBJLKAMF-GOSISDBHSA-N	1	0	371.481	1.316	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)CCC1	ZINC000886120890	985919009	/nfs/dbraw/zinc/91/90/09/985919009.db2.gz	PZVBWUMWEVOAJF-IRXDYDNUSA-N	1	0	369.531	1.758	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@H+](CCN2CCOCC2)[C@H]2CCSC2)CCC1	ZINC000886274189	986017507	/nfs/dbraw/zinc/01/75/07/986017507.db2.gz	NYXBSWOYEKQHJO-IRXDYDNUSA-N	1	0	353.532	1.571	20	30		FDEDRO
C#CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1	ZINC000886361677	986100421	/nfs/dbraw/zinc/10/04/21/986100421.db2.gz	QPKPCQNGFYKPQL-SOUVJXGZSA-N	1	0	363.483	1.245	20	30		FDEDRO
CC(C)[C@@H](C[NH+](C)C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000870569228	986125672	/nfs/dbraw/zinc/12/56/72/986125672.db2.gz	PNWCEJMHGOHSDK-XJKSGUPXSA-N	1	0	367.471	1.354	20	30		FDEDRO
CC(C)[C@@H](C[NH+](C)C)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000870567809	986126061	/nfs/dbraw/zinc/12/60/61/986126061.db2.gz	COPPTTUHVVVIJF-XJKSGUPXSA-N	1	0	367.471	1.354	20	30		FDEDRO
C#CC[N@@H+](C[C@@](C)(O)C(=O)OC)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886426292	986202565	/nfs/dbraw/zinc/20/25/65/986202565.db2.gz	QOGDVFOSSKBMJX-GOSISDBHSA-N	1	0	354.447	1.245	20	30		FDEDRO
C#CCN(C(=O)COc1ccc(Br)cn1)C1CC[NH+](C)CC1	ZINC000886572295	986372380	/nfs/dbraw/zinc/37/23/80/986372380.db2.gz	GZBXGUWFMSSZNF-UHFFFAOYSA-N	1	0	366.259	1.779	20	30		FDEDRO
C#CCN(C(=O)CCn1cnc2c(C)cccc2c1=O)C1CC[NH+](C)CC1	ZINC000886585467	986391897	/nfs/dbraw/zinc/39/18/97/986391897.db2.gz	XJYFLORUEJEDRO-UHFFFAOYSA-N	1	0	366.465	1.651	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)c3cc([C@@H]4CC[NH2+]C4)n[nH]3)CC2)cc1	ZINC000870981157	986559257	/nfs/dbraw/zinc/55/92/57/986559257.db2.gz	FCOWRUCHKMDHAF-OAHLLOKOSA-N	1	0	350.426	1.321	20	30		FDEDRO
C=CCC1(O)CC[NH+]([C@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)CC1	ZINC000886771218	986575669	/nfs/dbraw/zinc/57/56/69/986575669.db2.gz	DVZXHCCKYHKWDZ-HZPDHXFCSA-N	1	0	360.454	1.734	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](NC(=O)OC)C2)c(OC)c1	ZINC000886867506	986665724	/nfs/dbraw/zinc/66/57/24/986665724.db2.gz	GXFHUPQTTXFUFK-HOTGVXAUSA-N	1	0	364.442	1.594	20	30		FDEDRO
COC(=O)C1CC2(C1)C[N@H+](CCO[C@@H](C)C#N)C[C@@H]2C(=O)OC(C)(C)C	ZINC000886883835	986687090	/nfs/dbraw/zinc/68/70/90/986687090.db2.gz	NUBYBJPWSBODJF-MLBPIDQTSA-N	1	0	366.458	1.758	20	30		FDEDRO
COC[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCCOC1	ZINC000886907519	986725724	/nfs/dbraw/zinc/72/57/24/986725724.db2.gz	DLSGZFWMCPJXFG-WBVHZDCISA-N	1	0	352.456	1.363	20	30		FDEDRO
N#Cc1c(Cl)cccc1S(=O)(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2	ZINC000871811593	987260175	/nfs/dbraw/zinc/26/01/75/987260175.db2.gz	ZDHMQAHIYIPMID-GFCCVEGCSA-N	1	0	369.874	1.649	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](C[NH2+]C[C@H](O)CC1(C#N)CC1)O2	ZINC000871983184	987407012	/nfs/dbraw/zinc/40/70/12/987407012.db2.gz	VPUILMDHEMFUMR-CABCVRRESA-N	1	0	365.474	1.799	20	30		FDEDRO
C=CCNC(=O)Cc1noc(CC2([NH3+])CCN(Cc3ccccc3)CC2)n1	ZINC000872180667	987480385	/nfs/dbraw/zinc/48/03/85/987480385.db2.gz	VKXLOZTVWUZHOQ-UHFFFAOYSA-N	1	0	369.469	1.450	20	30		FDEDRO
CN(CCCCCC[NH3+])C(=O)C(=O)N1CCN(c2ccccc2C#N)CC1	ZINC000872185635	987484768	/nfs/dbraw/zinc/48/47/68/987484768.db2.gz	CINUZQXHXLZJDW-UHFFFAOYSA-N	1	0	371.485	1.184	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1	ZINC000872186935	987487529	/nfs/dbraw/zinc/48/75/29/987487529.db2.gz	BEKISUGQSBYBGM-GJZGRUSLSA-N	1	0	369.387	1.797	20	30		FDEDRO
C[C@]1(C#N)CCN(C(=O)C(=O)N2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)C1	ZINC000872198424	987509196	/nfs/dbraw/zinc/50/91/96/987509196.db2.gz	WYHYSVBUERIPSY-RIFZZMRRSA-N	1	0	360.502	1.895	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CC(=O)c2ccccc2O1	ZINC000872233527	987532278	/nfs/dbraw/zinc/53/22/78/987532278.db2.gz	UCPYOGUQYUDLCM-HZPDHXFCSA-N	1	0	352.390	1.922	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000872235393	987533849	/nfs/dbraw/zinc/53/38/49/987533849.db2.gz	UJAQPMRQMMFPIF-DOTOQJQBSA-N	1	0	368.522	1.818	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2	ZINC000872247633	987540679	/nfs/dbraw/zinc/54/06/79/987540679.db2.gz	NISQZEZCLAXUEA-YVSFHVDLSA-N	1	0	366.506	1.570	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)CCOCC1	ZINC000872248450	987541518	/nfs/dbraw/zinc/54/15/18/987541518.db2.gz	USWPCOQOXZIWMF-IRXDYDNUSA-N	1	0	352.862	1.904	20	30		FDEDRO
C[NH+](C)C1(C)CCC(=NNC(=S)NCCCN2CCOCC2)CC1	ZINC000872330123	987605863	/nfs/dbraw/zinc/60/58/63/987605863.db2.gz	IBJPAEAHPGYJJG-UHFFFAOYSA-N	1	0	355.552	1.423	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000872507501	987731783	/nfs/dbraw/zinc/73/17/83/987731783.db2.gz	WLGLKIYYBOFMSW-MRXNPFEDSA-N	1	0	351.472	1.598	20	30		FDEDRO
C#CCNC(=O)CC[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1	ZINC000292877423	987920689	/nfs/dbraw/zinc/92/06/89/987920689.db2.gz	SZCUHKGXUXPSNH-KRWDZBQOSA-N	1	0	356.470	1.968	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1	ZINC000298889869	987935412	/nfs/dbraw/zinc/93/54/12/987935412.db2.gz	ACRLFUJRKSKLKE-OAQYLSRUSA-N	1	0	355.482	1.798	20	30		FDEDRO
CN(CCc1cccc(C#N)c1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O	ZINC000872705747	987993292	/nfs/dbraw/zinc/99/32/92/987993292.db2.gz	XWBGDTVEEANOCV-FQEVSTJZSA-N	1	0	354.454	1.907	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C	ZINC000293263903	988007810	/nfs/dbraw/zinc/00/78/10/988007810.db2.gz	FDMRTTHDCLHMFY-UHFFFAOYSA-N	1	0	356.426	1.355	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H](CNC(N)=O)C1)C(C)C	ZINC000299010483	988037321	/nfs/dbraw/zinc/03/73/21/988037321.db2.gz	LIFJZKVGPREQED-DLBZAZTESA-N	1	0	365.522	1.775	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)c1	ZINC000365886650	988188665	/nfs/dbraw/zinc/18/86/65/988188665.db2.gz	SGSLGCFVLPQFCM-UHFFFAOYSA-N	1	0	369.465	1.567	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1)[N@@H+]1CCC[C@@H](C)C1	ZINC000872890659	988245641	/nfs/dbraw/zinc/24/56/41/988245641.db2.gz	MDGBSTDJAMANKB-SJORKVTESA-N	1	0	370.501	1.905	20	30		FDEDRO
C[NH+](C)CC1CCC(NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC1	ZINC000872946602	988322598	/nfs/dbraw/zinc/32/25/98/988322598.db2.gz	AHVYLDDNYZOIJG-UHFFFAOYSA-N	1	0	370.501	1.905	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N1CCC(C)([NH+]2CCCCC2)CC1	ZINC000872965769	988346674	/nfs/dbraw/zinc/34/66/74/988346674.db2.gz	NAQIAXMBYSWXDU-UHFFFAOYSA-N	1	0	357.520	1.637	20	30		FDEDRO
C[C@H](O)CNc1cc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ncn1	ZINC000294485398	988428661	/nfs/dbraw/zinc/42/86/61/988428661.db2.gz	RXDZTUVXPNVFCJ-INIZCTEOSA-N	1	0	366.469	1.853	20	30		FDEDRO
COC(=O)Cn1cc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nn1	ZINC000294578111	988477766	/nfs/dbraw/zinc/47/77/66/988477766.db2.gz	PRNKXYZWMGGHSM-UHFFFAOYSA-N	1	0	368.441	1.031	20	30		FDEDRO
C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)Nc1cccc(OCCCC#N)c1)C2	ZINC000873107055	988567270	/nfs/dbraw/zinc/56/72/70/988567270.db2.gz	XFYGXIAKVMUFAF-IFXJQAMLSA-N	1	0	356.426	1.376	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000366726863	988757829	/nfs/dbraw/zinc/75/78/29/988757829.db2.gz	ZGGLJSKEDMZFTP-VQIMIIECSA-N	1	0	364.534	1.825	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)C[C@H]3CC[N@H+](C)C3)C2)n1	ZINC000362880572	988759984	/nfs/dbraw/zinc/75/99/84/988759984.db2.gz	LSDTZXHYDDCSIN-FUHWJXTLSA-N	1	0	355.486	1.888	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)Cc2ccccc2OC)CC1	ZINC000363085597	988910772	/nfs/dbraw/zinc/91/07/72/988910772.db2.gz	ZCVHJWDGIOFSPZ-MRXNPFEDSA-N	1	0	359.470	1.463	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1C#N	ZINC000873652929	988937696	/nfs/dbraw/zinc/93/76/96/988937696.db2.gz	VVDCGNSUXITKIW-AWEZNQCLSA-N	1	0	372.450	1.986	20	30		FDEDRO
C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1	ZINC000367950394	988974326	/nfs/dbraw/zinc/97/43/26/988974326.db2.gz	FEYOXSPESGJMMB-APWZRJJASA-N	1	0	355.486	1.889	20	30		FDEDRO
CC[N@@H+]1CCc2c(cccc2-n2nnc(C(=O)N[C@@H](C)CC#N)c2C)C1	ZINC000369116738	989026328	/nfs/dbraw/zinc/02/63/28/989026328.db2.gz	MERRLVOSNCEDNY-ZDUSSCGKSA-N	1	0	352.442	1.986	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)CC1	ZINC000363377796	989142003	/nfs/dbraw/zinc/14/20/03/989142003.db2.gz	JYCIZGPCABNHJN-UHFFFAOYSA-N	1	0	359.514	1.973	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1cccc(F)c1	ZINC000363519374	989267843	/nfs/dbraw/zinc/26/78/43/989267843.db2.gz	GJBMYNRAMTYZNE-MSOLQXFVSA-N	1	0	359.449	1.810	20	30		FDEDRO
CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000369895959	989282323	/nfs/dbraw/zinc/28/23/23/989282323.db2.gz	BAUPNGGQRBUTAY-ZUOKHONESA-N	1	0	361.405	1.633	20	30		FDEDRO
C=CCN(C(=O)C(=O)Nc1ccon1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000369931446	989317803	/nfs/dbraw/zinc/31/78/03/989317803.db2.gz	VVFXBYJPERTUDT-MRXNPFEDSA-N	1	0	354.410	1.902	20	30		FDEDRO
CN1C(=O)CS/C1=C\C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000873876296	989372875	/nfs/dbraw/zinc/37/28/75/989372875.db2.gz	VCKBSMFYZROUTB-ODLFYWEKSA-N	1	0	370.478	1.639	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)cc1C#N	ZINC000873897180	989412790	/nfs/dbraw/zinc/41/27/90/989412790.db2.gz	KDGZMICIXQTNDP-ZDUSSCGKSA-N	1	0	356.426	1.448	20	30		FDEDRO
Cn1cnc([N+](=O)[O-])c1CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000370056638	989418780	/nfs/dbraw/zinc/41/87/80/989418780.db2.gz	RTRDXGAXBCSTKN-UHFFFAOYSA-N	1	0	354.414	1.908	20	30		FDEDRO
C=C(CC)CNC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(F)c1	ZINC000873908969	989432796	/nfs/dbraw/zinc/43/27/96/989432796.db2.gz	CJEQISYQAGNXSF-UHFFFAOYSA-N	1	0	362.449	1.989	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCN(c2ccccc2OC)C1=O	ZINC000296868222	989442973	/nfs/dbraw/zinc/44/29/73/989442973.db2.gz	KWFTTWHLBWPBKS-HNNXBMFYSA-N	1	0	358.442	1.055	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	ZINC000296948737	989451724	/nfs/dbraw/zinc/45/17/24/989451724.db2.gz	QAOGKXLXLMJKCR-UHFFFAOYSA-N	1	0	372.513	1.650	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(c3nnc4n3CCC4)CC2)cc1	ZINC000364084016	989490348	/nfs/dbraw/zinc/49/03/48/989490348.db2.gz	WXYQAUDJUJDTHC-QGZVFWFLSA-N	1	0	367.453	1.715	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc(C)c1C#N	ZINC000873971072	989549747	/nfs/dbraw/zinc/54/97/47/989549747.db2.gz	IBRZIEAWWFKDAK-UHFFFAOYSA-N	1	0	372.469	1.622	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1cc(C)cc(C#N)c1	ZINC000873972500	989552454	/nfs/dbraw/zinc/55/24/54/989552454.db2.gz	ONZSBWPXBLFWHY-UHFFFAOYSA-N	1	0	372.469	1.622	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1CCn2c(C3CCCC3)nnc2[C@H]1C	ZINC000297514365	989555334	/nfs/dbraw/zinc/55/53/34/989555334.db2.gz	PKANELSMAZVJRZ-OAHLLOKOSA-N	1	0	358.490	1.977	20	30		FDEDRO
Cc1cc(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)nn1-c1cccc(C#N)c1	ZINC000364511918	989606639	/nfs/dbraw/zinc/60/66/39/989606639.db2.gz	ZRVYZMRZFYHBML-SFHVURJKSA-N	1	0	362.437	2.530	20	30		FDEDRO
C[NH+]1CCC2(CCN(C(=O)C(=O)Nc3ccc(F)c(C#N)c3)CC2)CC1	ZINC000874013281	989639823	/nfs/dbraw/zinc/63/98/23/989639823.db2.gz	CNJZZZCFRAUOKU-UHFFFAOYSA-N	1	0	358.417	1.970	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1	ZINC000874095140	989736810	/nfs/dbraw/zinc/73/68/10/989736810.db2.gz	QUVKIRBQAODRHT-UHFFFAOYSA-N	1	0	358.442	1.838	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)CC2)c(F)cc1C#N	ZINC000874097594	989742484	/nfs/dbraw/zinc/74/24/84/989742484.db2.gz	DDZYWLGIFAALHP-UHFFFAOYSA-N	1	0	362.405	1.587	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](C2CC2)[NH+](C)C)s1	ZINC000874101619	989749413	/nfs/dbraw/zinc/74/94/13/989749413.db2.gz	GCJWTCOBNTZKRD-CQSZACIVSA-N	1	0	371.528	1.211	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1	ZINC000874169429	989855566	/nfs/dbraw/zinc/85/55/66/989855566.db2.gz	DWOCQPHDXJBNSU-WBVHZDCISA-N	1	0	370.453	1.094	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1	ZINC000874171178	989863183	/nfs/dbraw/zinc/86/31/83/989863183.db2.gz	RAVOXWAHQZKYKP-WBVHZDCISA-N	1	0	370.453	1.837	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)CC1	ZINC000370672476	989927053	/nfs/dbraw/zinc/92/70/53/989927053.db2.gz	FHPXRZQQXZECEP-ICSRJNTNSA-N	1	0	353.466	1.667	20	30		FDEDRO
CN1CC[NH+]([C@H]2CCCCN(C(=O)NCCc3cccc(C#N)c3)C2)CC1	ZINC000370718132	989947916	/nfs/dbraw/zinc/94/79/16/989947916.db2.gz	ADXXBNPLDLBHQT-FQEVSTJZSA-N	1	0	369.513	1.912	20	30		FDEDRO
C[NH+]1CCC(CCNC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1	ZINC000365026265	989965943	/nfs/dbraw/zinc/96/59/43/989965943.db2.gz	KSEPKLFNTGYORG-LJQANCHMSA-N	1	0	368.481	1.897	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1	ZINC000370771130	989978308	/nfs/dbraw/zinc/97/83/08/989978308.db2.gz	DGGZWVYHCPTOSL-RYQLBKOJSA-N	1	0	357.454	1.943	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)CC(C)(C)C)[C@@H]3C2)CC1	ZINC000370774404	989980108	/nfs/dbraw/zinc/98/01/08/989980108.db2.gz	ORLLGRHMNIUAAE-ZWKOTPCHSA-N	1	0	359.514	1.827	20	30		FDEDRO
C[C@H](CNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1)[N@H+](C)C1CC1	ZINC000365064217	989994803	/nfs/dbraw/zinc/99/48/03/989994803.db2.gz	BZLBUDXNLDRXOV-RDTXWAMCSA-N	1	0	354.454	1.648	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1	ZINC000365191116	990092133	/nfs/dbraw/zinc/09/21/33/990092133.db2.gz	QSJSBXGTXQYYJB-ACWOFJMJSA-N	1	0	360.433	1.695	20	30		FDEDRO
C=CCNC(=O)C(=O)Nc1cc(C)nn1[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000370902957	990108896	/nfs/dbraw/zinc/10/88/96/990108896.db2.gz	OGLZFUKRANLBJY-KRWDZBQOSA-N	1	0	367.453	1.879	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000874368028	990194853	/nfs/dbraw/zinc/19/48/53/990194853.db2.gz	NBHVUJRIWRLBJF-KBPBESRZSA-N	1	0	358.446	1.143	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C	ZINC000874369795	990203694	/nfs/dbraw/zinc/20/36/94/990203694.db2.gz	UZEFJMDEYVYHKF-KBMXLJTQSA-N	1	0	356.426	1.611	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1	ZINC000371300427	990347445	/nfs/dbraw/zinc/34/74/45/990347445.db2.gz	ABSVIMLKTWGUGU-KXTWHKPSSA-N	1	0	374.444	1.535	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)NC[C@H]2CN3CCCC[C@H]3CO2)c1C#N	ZINC000371355447	990376864	/nfs/dbraw/zinc/37/68/64/990376864.db2.gz	QBKNGICRAUODJW-GJZGRUSLSA-N	1	0	356.426	1.175	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)NCc1ccccc1C[N@H+](C)C(C)C	ZINC000875041526	990779003	/nfs/dbraw/zinc/77/90/03/990779003.db2.gz	TXPYQBJXFQEGBL-GOSISDBHSA-N	1	0	359.470	1.298	20	30		FDEDRO
C[NH+]1CCN(C(C)(C)CNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1	ZINC000875046780	990787979	/nfs/dbraw/zinc/78/79/79/990787979.db2.gz	ZAYWOINFESWIOI-SFHVURJKSA-N	1	0	355.486	1.351	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)NC[C@H](CC)[N@@H+]1CCc2ccccc2C1	ZINC000875058328	990803656	/nfs/dbraw/zinc/80/36/56/990803656.db2.gz	LCBUOMMFVMJTJG-OALUTQOASA-N	1	0	371.481	1.094	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1	ZINC000875060858	990811266	/nfs/dbraw/zinc/81/12/66/990811266.db2.gz	SFOPPJGVWYNVGI-MSOLQXFVSA-N	1	0	357.454	1.094	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1	ZINC000875061183	990812048	/nfs/dbraw/zinc/81/20/48/990812048.db2.gz	WUBDBHRRQGXPIU-MOPGFXCFSA-N	1	0	371.481	1.484	20	30		FDEDRO
C=CCN(C(=O)Cn1cc([C@@H](C)O)nn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000371974427	990868383	/nfs/dbraw/zinc/86/83/83/990868383.db2.gz	OUPFTISCHFUIOH-SJLPKXTDSA-N	1	0	369.469	1.621	20	30		FDEDRO
CN1CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H]1C#N	ZINC000372208162	990960792	/nfs/dbraw/zinc/96/07/92/990960792.db2.gz	AEKPVTDCRWOYON-RTBURBONSA-N	1	0	355.486	1.748	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000372247946	990979394	/nfs/dbraw/zinc/97/93/94/990979394.db2.gz	OZYBMGANAWZIDP-MQVJKMGUSA-N	1	0	355.438	1.626	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@]3(CCc4ccccc43)C2)CC1	ZINC000875182682	991022341	/nfs/dbraw/zinc/02/23/41/991022341.db2.gz	VMRKKXXCWPOEKM-QFIPXVFZSA-N	1	0	367.493	1.870	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000875214220	991096537	/nfs/dbraw/zinc/09/65/37/991096537.db2.gz	KAALTKXNDISNBC-MRXNPFEDSA-N	1	0	364.534	1.380	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000875223379	991121813	/nfs/dbraw/zinc/12/18/13/991121813.db2.gz	LPRFXXKCBFBOKT-OALUTQOASA-N	1	0	371.481	1.312	20	30		FDEDRO
CN1CCC[C@@]2(CC[N@@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1=O	ZINC000372493644	991161621	/nfs/dbraw/zinc/16/16/21/991161621.db2.gz	HVCOLZROXANMTB-NQIIRXRSSA-N	1	0	366.465	1.998	20	30		FDEDRO
N#CCc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)cc1	ZINC000372579510	991238409	/nfs/dbraw/zinc/23/84/09/991238409.db2.gz	WLOQVVFLEQBNOK-FUHWJXTLSA-N	1	0	370.453	1.308	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1)[C@@H]1CCCO1	ZINC000875325469	991322300	/nfs/dbraw/zinc/32/23/00/991322300.db2.gz	RGZFXCQHEIYFCQ-SQNIBIBYSA-N	1	0	361.486	1.197	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO	ZINC000372666962	991323657	/nfs/dbraw/zinc/32/36/57/991323657.db2.gz	QRNAEKNFEGUHHL-HZPDHXFCSA-N	1	0	374.416	1.084	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC[C@@H](C[NH+](C)C)C3)C2)n1	ZINC000372673445	991330046	/nfs/dbraw/zinc/33/00/46/991330046.db2.gz	HLDDKRPHVPUTDY-WMZOPIPTSA-N	1	0	355.486	1.888	20	30		FDEDRO
Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Oc2cccc(OCC#N)c2)cn1	ZINC000875792833	991999143	/nfs/dbraw/zinc/99/91/43/991999143.db2.gz	ZYCOQFRCOLWHMH-QZTJIDSGSA-N	1	0	354.410	1.963	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CC12CCC2	ZINC000875861670	992088465	/nfs/dbraw/zinc/08/84/65/992088465.db2.gz	NBBFCBRQTLQFKG-KRWDZBQOSA-N	1	0	354.454	1.507	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1	ZINC000875914920	992187935	/nfs/dbraw/zinc/18/79/35/992187935.db2.gz	RBRLJZBVZBDEGC-SFHVURJKSA-N	1	0	364.534	1.616	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1	ZINC000875922597	992195314	/nfs/dbraw/zinc/19/53/14/992195314.db2.gz	NAARPBILQNSSST-SFHVURJKSA-N	1	0	358.486	1.768	20	30		FDEDRO
COCCN(CC[NH+](C)C)C(=O)NC1CCN(c2ccccc2C#N)CC1	ZINC000876003390	992248701	/nfs/dbraw/zinc/24/87/01/992248701.db2.gz	SZOKMQGEFXOWML-UHFFFAOYSA-N	1	0	373.501	1.747	20	30		FDEDRO
COCC[N@H+]1[C@H](C)CN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C[C@@H]1C	ZINC000876281725	992520892	/nfs/dbraw/zinc/52/08/92/992520892.db2.gz	VKTHFSUTALOUFM-KHYOSLBOSA-N	1	0	356.470	1.776	20	30		FDEDRO
C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)CCC#N)C[C@H](C)O1	ZINC000374028358	992565213	/nfs/dbraw/zinc/56/52/13/992565213.db2.gz	ZMWOWWVGPXYJJQ-KSZLIROESA-N	1	0	361.490	1.216	20	30		FDEDRO
COC[C@]1(C[NH+](C)C)COCCN1C(=O)[C@H](C)Oc1ccccc1C#N	ZINC000876471024	992628433	/nfs/dbraw/zinc/62/84/33/992628433.db2.gz	KGZSTGZLZMRCGW-HNAYVOBHSA-N	1	0	361.442	1.131	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)CC1	ZINC000374133591	992630478	/nfs/dbraw/zinc/63/04/78/992630478.db2.gz	WGHDSDSHRDSCSW-VAMGGRTRSA-N	1	0	365.477	1.605	20	30		FDEDRO
C#C[C@@H](NC(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C)C(C)C	ZINC000374158670	992656037	/nfs/dbraw/zinc/65/60/37/992656037.db2.gz	DEFNAXGSHRTEBL-QGZVFWFLSA-N	1	0	351.454	1.951	20	30		FDEDRO
COC(=O)[C@@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)CC[N@H+](C)C1	ZINC000411925157	992706171	/nfs/dbraw/zinc/70/61/71/992706171.db2.gz	ZBHFCJAQYHQMRB-HNNXBMFYSA-N	1	0	370.371	1.973	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1	ZINC000876623942	992750043	/nfs/dbraw/zinc/75/00/43/992750043.db2.gz	BXBAXHIOGLQUFM-MRXNPFEDSA-N	1	0	367.852	1.899	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](CO)[C@H]2CCCOC2)c1	ZINC000411978802	992750379	/nfs/dbraw/zinc/75/03/79/992750379.db2.gz	DKELWVVAMUIIKE-PKOBYXMFSA-N	1	0	359.470	1.927	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1OC	ZINC000876625632	992752161	/nfs/dbraw/zinc/75/21/61/992752161.db2.gz	AFPMAZHVIAIERA-CYBMUJFWSA-N	1	0	367.833	1.576	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCCC(=O)N1CCCCCC1	ZINC000876632074	992757509	/nfs/dbraw/zinc/75/75/09/992757509.db2.gz	CAWRLMYAPSJNIM-LJQANCHMSA-N	1	0	354.454	1.654	20	30		FDEDRO
CC(C)C(=O)NC[C@H]1CCCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876633822	992758862	/nfs/dbraw/zinc/75/88/62/992758862.db2.gz	XYUZWTCGFOUKLY-VQIMIIECSA-N	1	0	368.481	1.756	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1	ZINC000876711459	992817215	/nfs/dbraw/zinc/81/72/15/992817215.db2.gz	YWGHZEQTTBLCON-HOTGVXAUSA-N	1	0	355.841	1.785	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCCc1nnc2n1CCCCC2	ZINC000876716354	992823631	/nfs/dbraw/zinc/82/36/31/992823631.db2.gz	YUJPMTPAPKOAPN-LJQANCHMSA-N	1	0	364.453	1.422	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1	ZINC000876717133	992827186	/nfs/dbraw/zinc/82/71/86/992827186.db2.gz	XHYWDADYKRGNCN-INIZCTEOSA-N	1	0	364.877	1.676	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	ZINC000876729268	992841998	/nfs/dbraw/zinc/84/19/98/992841998.db2.gz	JDROXNBAZIEHPX-OAHLLOKOSA-N	1	0	371.890	1.008	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCc1nccn1CC(F)(F)F	ZINC000876752835	992872193	/nfs/dbraw/zinc/87/21/93/992872193.db2.gz	APFKANFUUGUMDC-HNNXBMFYSA-N	1	0	363.343	1.820	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC[N@@H+]1C	ZINC000964944739	1015743814	/nfs/dbraw/zinc/74/38/14/1015743814.db2.gz	XSXSNZXNOFXOSY-XYJFISCASA-N	1	0	371.485	1.728	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000876780731	992905933	/nfs/dbraw/zinc/90/59/33/992905933.db2.gz	AHEMCJFPEWSPHW-KRWDZBQOSA-N	1	0	366.893	1.403	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)s1	ZINC000876849610	992937422	/nfs/dbraw/zinc/93/74/22/992937422.db2.gz	VFSZGMSAOMNFAR-XHBSWPGZSA-N	1	0	371.528	1.258	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@H](C(N)=O)c1cccc(Br)c1	ZINC000876889151	992950260	/nfs/dbraw/zinc/95/02/60/992950260.db2.gz	KBXBUYLPRJVXNY-RYUDHWBXSA-N	1	0	374.666	1.904	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[C@@H](OCc2ccncc2)C1	ZINC000876909601	992962742	/nfs/dbraw/zinc/96/27/42/992962742.db2.gz	CPMKXSRWGDSZBK-QUCCMNQESA-N	1	0	362.433	1.958	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC([C@@H](O)C(F)(F)F)CC1	ZINC000876940974	992975525	/nfs/dbraw/zinc/97/55/25/992975525.db2.gz	CKBBTZIPENUXIW-JKSUJKDBSA-N	1	0	367.371	1.907	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCSC2(CCOCC2)C1	ZINC000876942956	992976537	/nfs/dbraw/zinc/97/65/37/992976537.db2.gz	KFAAFOVZZRBGNK-KRWDZBQOSA-N	1	0	357.479	1.870	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)C[C@@H]21	ZINC000375050997	992988765	/nfs/dbraw/zinc/98/87/65/992988765.db2.gz	UIZHDOBSGBLWPG-PBHICJAKSA-N	1	0	354.454	1.979	20	30		FDEDRO
CN1C(=O)c2ccccc2[C@@H]1CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000877044007	993028314	/nfs/dbraw/zinc/02/83/14/993028314.db2.gz	PQYWMMYDDRTXCR-RBUKOAKNSA-N	1	0	360.417	1.688	20	30		FDEDRO
CC(C)(CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)C(=O)N1CCCC1	ZINC000877062439	993035361	/nfs/dbraw/zinc/03/53/61/993035361.db2.gz	MCHFWGUXFWFYCA-QGZVFWFLSA-N	1	0	354.454	1.510	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(c2cc(C)c([N+](=O)[O-])cc2C#N)CC1	ZINC000413127378	993108835	/nfs/dbraw/zinc/10/88/35/993108835.db2.gz	VREJDNKSDSNAIT-UHFFFAOYSA-N	1	0	359.430	1.765	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N[C@@H]1COc2cccc(Br)c2C1	ZINC000877259652	993155608	/nfs/dbraw/zinc/15/56/08/993155608.db2.gz	VJJQSAGGBWMCJJ-ZDUSSCGKSA-N	1	0	363.255	1.872	20	30		FDEDRO
C=CCN1CCN(C)C2(CC[NH+](Cc3ccc(OCC#N)cc3)CC2)C1=O	ZINC001137118174	993197732	/nfs/dbraw/zinc/19/77/32/993197732.db2.gz	OUHADQVIYGLCHA-UHFFFAOYSA-N	1	0	368.481	1.884	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1	ZINC000413261786	993199692	/nfs/dbraw/zinc/19/96/92/993199692.db2.gz	JFAYZHPSKQGOAD-MRXNPFEDSA-N	1	0	361.442	1.498	20	30		FDEDRO
COC(=O)c1ccc(OC)c2c1CCN(C(=O)C#CC1CC[NH2+]CC1)C2	ZINC000877381083	993262902	/nfs/dbraw/zinc/26/29/02/993262902.db2.gz	ZYKKDGIBLUOHJG-UHFFFAOYSA-N	1	0	356.422	1.370	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H]([NH2+]CC3CCS(=O)(=O)CC3)C2=O)cc1	ZINC000877474997	993296793	/nfs/dbraw/zinc/29/67/93/993296793.db2.gz	KMRUNNIMWWWWFQ-QGZVFWFLSA-N	1	0	361.467	1.074	20	30		FDEDRO
CC[NH+](CC)CCOCCNC(=O)c1ccn(-c2cccc(C#N)c2)n1	ZINC000467562257	993320400	/nfs/dbraw/zinc/32/04/00/993320400.db2.gz	KULABCALXPVRSH-UHFFFAOYSA-N	1	0	355.442	1.832	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)c1ccccc1	ZINC001095556149	993432991	/nfs/dbraw/zinc/43/29/91/993432991.db2.gz	AFQCUZBXRIWSFO-NXNFSMPISA-N	1	0	367.493	1.539	20	30		FDEDRO
N#Cc1ccc(CN2CC[NH+](C[C@@H](O)CC3(CO)CCCC3)CC2)cc1	ZINC000877944236	993565119	/nfs/dbraw/zinc/56/51/19/993565119.db2.gz	WMOMOLRYRWDPGE-FQEVSTJZSA-N	1	0	357.498	1.980	20	30		FDEDRO
Cn1ncc(C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1C#N	ZINC000470016745	993932783	/nfs/dbraw/zinc/93/27/83/993932783.db2.gz	HOXODOPCPLMJBA-LJQANCHMSA-N	1	0	366.469	1.400	20	30		FDEDRO
N#Cc1ccccc1C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1	ZINC000965120893	1015847349	/nfs/dbraw/zinc/84/73/49/1015847349.db2.gz	KVBWZPHNSYLONP-MIKZSQDASA-N	1	0	352.438	1.197	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)CC1	ZINC000878907038	994339772	/nfs/dbraw/zinc/33/97/72/994339772.db2.gz	WOYSFPPIPNWOGY-GOSISDBHSA-N	1	0	363.465	1.197	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)Cc2c(Br)cnn2C)CC1	ZINC000878927397	994356445	/nfs/dbraw/zinc/35/64/45/994356445.db2.gz	UTEKDCOXTZKFFN-UHFFFAOYSA-N	1	0	353.264	1.329	20	30		FDEDRO
CC(=O)[C@@](C#N)(CCN1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccccc1	ZINC000878993857	994420458	/nfs/dbraw/zinc/42/04/58/994420458.db2.gz	OOMQEOHAMVEJTO-RTWAWAEBSA-N	1	0	355.482	1.958	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1cnc(C)nc1)C2	ZINC000965159245	1015864119	/nfs/dbraw/zinc/86/41/19/1015864119.db2.gz	BGNWMYRYTFKWDO-INFDXNDLSA-N	1	0	356.470	1.893	20	30		FDEDRO
C#CCCC[NH+]1CCN(c2ncc(I)cn2)CC1	ZINC000879203356	994630837	/nfs/dbraw/zinc/63/08/37/994630837.db2.gz	CHYHDCHBYQENRB-UHFFFAOYSA-N	1	0	356.211	1.617	20	30		FDEDRO
COc1ccc(N2CC[NH+](C[C@H](O)CN(C)[C@@H]3CCC[C@H]3C#N)CC2)cc1	ZINC000879309265	994760557	/nfs/dbraw/zinc/76/05/57/994760557.db2.gz	FEPXFSLYRKLOOW-FBBABVLZSA-N	1	0	372.513	1.802	20	30		FDEDRO
C[N@H+](CCc1cccc(C#N)c1)CC(=O)N1CCN(c2cnccn2)CC1	ZINC000879432913	994909763	/nfs/dbraw/zinc/90/97/63/994909763.db2.gz	LDMYESBLCDPFCJ-UHFFFAOYSA-N	1	0	364.453	1.171	20	30		FDEDRO
CN(C)c1cc[nH+]c(CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1	ZINC000924671936	994923562	/nfs/dbraw/zinc/92/35/62/994923562.db2.gz	RVDBPENGDOBHKD-QGZVFWFLSA-N	1	0	366.425	1.777	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C2CC3(CC(NC(=O)[C@H]4CC[C@@H](C)O4)C3)C2)C1=O	ZINC000965209368	1015920172	/nfs/dbraw/zinc/92/01/72/1015920172.db2.gz	BKULQCWMCXZLKA-PSLNHWQBSA-N	1	0	361.486	1.358	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@H](Cc2cccnc2)C2CCCC2)CC1	ZINC000879674758	995162127	/nfs/dbraw/zinc/16/21/27/995162127.db2.gz	RHKXWMGKHNSPJQ-HXUWFJFHSA-N	1	0	354.498	1.550	20	30		FDEDRO
CCC(O)(CC)C(C)(C)[NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000879698267	995196725	/nfs/dbraw/zinc/19/67/25/995196725.db2.gz	VHWKQPZLNBNJKD-MRXNPFEDSA-N	1	0	352.523	1.598	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@@H](C)C(=O)NC(=O)NC(C)C	ZINC001110899716	995392016	/nfs/dbraw/zinc/39/20/16/995392016.db2.gz	NRRRQLDEMZNHLZ-YJNKXOJESA-N	1	0	364.490	1.543	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(CC2CC[NH+](C3CCOCC3)CC2)C1=O	ZINC000925334795	995504642	/nfs/dbraw/zinc/50/46/42/995504642.db2.gz	NMGLSXXQYNKJNO-INIZCTEOSA-N	1	0	351.447	1.000	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1	ZINC000879976569	995505868	/nfs/dbraw/zinc/50/58/68/995505868.db2.gz	WIFFQHASMRBNGX-SQNIBIBYSA-N	1	0	365.518	1.543	20	30		FDEDRO
C=C(Cl)C[C@@H]1NC(=O)N(Cc2ccncc2OCCC[NH+](C)C)C1=O	ZINC000925376418	995542407	/nfs/dbraw/zinc/54/24/07/995542407.db2.gz	MBIQQFYLHSYQLT-AWEZNQCLSA-N	1	0	366.849	1.975	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CCc2c(nnn2C)C1)C(C)C	ZINC000654379727	1015953177	/nfs/dbraw/zinc/95/31/77/1015953177.db2.gz	JTSRIEQIQSPGAF-YJBOKZPZSA-N	1	0	360.506	1.670	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH+]2CCC(F)CC2)CC1	ZINC000880240246	995745690	/nfs/dbraw/zinc/74/56/90/995745690.db2.gz	RCJZPMMRAQYTPH-OAHLLOKOSA-N	1	0	350.463	1.891	20	30		FDEDRO
N#Cc1ccccc1OCCN1CCC(C(N)=O)([NH+]2CCCCC2)CC1	ZINC000880249668	995752218	/nfs/dbraw/zinc/75/22/18/995752218.db2.gz	DWGRKBLIZDWPRO-UHFFFAOYSA-N	1	0	356.470	1.743	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1	ZINC000880250644	995754839	/nfs/dbraw/zinc/75/48/39/995754839.db2.gz	QUWJSIJKZAQRBV-QGZVFWFLSA-N	1	0	364.534	1.605	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2	ZINC000925980298	995874350	/nfs/dbraw/zinc/87/43/50/995874350.db2.gz	ZMGVSYFBNVAVFT-UWOLEIRVSA-N	1	0	353.463	1.197	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCNCC[NH2+]CC2)cc1	ZINC000925979870	995874366	/nfs/dbraw/zinc/87/43/66/995874366.db2.gz	UGRCYWSQCLTRPM-UHFFFAOYSA-N	1	0	371.485	1.528	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)COc1ccccc1C#N)C2	ZINC000926190941	995970176	/nfs/dbraw/zinc/97/01/76/995970176.db2.gz	YPAJEVBVBMODQY-XNFNUYLZSA-N	1	0	357.454	1.533	20	30		FDEDRO
CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)CNc3ccc(C#N)cc3)C2)[C@@H]1C(C)C	ZINC000926258948	996003837	/nfs/dbraw/zinc/00/38/37/996003837.db2.gz	YPSXHRUMYRXFEQ-QCFAMHMHSA-N	1	0	370.497	1.956	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2	ZINC000926321145	996053521	/nfs/dbraw/zinc/05/35/21/996053521.db2.gz	OYNAQJCSOMSHBV-OAQYLSRUSA-N	1	0	366.465	1.817	20	30		FDEDRO
Cn1nccc1[C@]1(O)C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)c1ccc(C#N)cc1	ZINC000887051165	996879040	/nfs/dbraw/zinc/87/90/40/996879040.db2.gz	YFORQDBECFZHGY-HLNWXESRSA-N	1	0	352.438	1.840	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)NCCc2cnn(-c3ccccc3)c2)CCOCC1	ZINC000887123461	996954361	/nfs/dbraw/zinc/95/43/61/996954361.db2.gz	PSTOWEHDOJNLGN-UHFFFAOYSA-N	1	0	366.465	1.693	20	30		FDEDRO
C[C@H]1CN(c2cc[nH+]cc2)CCN1C[C@@H](O)COc1ccccc1C#N	ZINC000887134469	996961018	/nfs/dbraw/zinc/96/10/18/996961018.db2.gz	KFTVFOVWPCQKAH-QFBILLFUSA-N	1	0	352.438	1.904	20	30		FDEDRO
C=CCC1(O)CCN([C@H]2CC(=O)N(Cc3ccccc3OC)C2=O)CC1	ZINC000887305870	997137186	/nfs/dbraw/zinc/13/71/86/997137186.db2.gz	BPHIVHDMMVIPKB-INIZCTEOSA-N	1	0	358.438	1.726	20	30		FDEDRO
N#CCOc1ccc(Cl)cc1Cn1cc(CN2CCC[C@H]([NH3+])C2)nn1	ZINC000887442773	997275350	/nfs/dbraw/zinc/27/53/50/997275350.db2.gz	RZIGZUMVUIPDCX-HNNXBMFYSA-N	1	0	360.849	1.805	20	30		FDEDRO
[NH2+]=C(NCc1ccccc1OCC(=O)NC[C@H]1CCCO1)NC1CCCC1	ZINC000264065706	997392973	/nfs/dbraw/zinc/39/29/73/997392973.db2.gz	BDCRULBURAPMCX-QGZVFWFLSA-N	1	0	374.485	1.708	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NC[C@H](c1ccco1)N1CCCCC1	ZINC000264077760	997397645	/nfs/dbraw/zinc/39/76/45/997397645.db2.gz	HUTXYSZQHKKDON-QGZVFWFLSA-N	1	0	363.506	1.433	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2cccc(NC(C)=O)c2)CC1	ZINC000264087177	997399637	/nfs/dbraw/zinc/39/96/37/997399637.db2.gz	JZKSIQSOMPAMPI-UHFFFAOYSA-N	1	0	361.446	1.670	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NC[C@@H]2CCN(CC(F)(F)F)C2)cc1OC	ZINC000264114825	997405336	/nfs/dbraw/zinc/40/53/36/997405336.db2.gz	SBSTUBIGDOZUNF-ZDUSSCGKSA-N	1	0	374.407	1.992	20	30		FDEDRO
CC[C@H](C)NC(=[NH2+])NCc1cccc(NC(=O)CCN2CCOCC2)c1	ZINC000264118665	997405470	/nfs/dbraw/zinc/40/54/70/997405470.db2.gz	UFCDVNDXWZYYAK-HNNXBMFYSA-N	1	0	361.490	1.550	20	30		FDEDRO
CCCCCCNC(=[NH2+])NCc1cccnc1N1CCC(C(N)=O)CC1	ZINC000264254084	997439320	/nfs/dbraw/zinc/43/93/20/997439320.db2.gz	HWLMZNBBERYVGJ-UHFFFAOYSA-N	1	0	360.506	1.768	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1	ZINC000264523330	997531227	/nfs/dbraw/zinc/53/12/27/997531227.db2.gz	INOBLUCHPUYRJC-HOTGVXAUSA-N	1	0	373.453	1.253	20	30		FDEDRO
C#CCNC(=O)c1ccc(NCCC[NH+]2CCC(C(=O)OC)CC2)nc1	ZINC000264840626	997632582	/nfs/dbraw/zinc/63/25/82/997632582.db2.gz	GURFGKONOYPCDF-UHFFFAOYSA-N	1	0	358.442	1.132	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](C(=O)NCc2nc(C#N)cs2)[C@H](c2cnn(C)c2)C1	ZINC000887976820	997990494	/nfs/dbraw/zinc/99/04/94/997990494.db2.gz	URDYUMMGYJMHCJ-HOTGVXAUSA-N	1	0	372.498	1.879	20	30		FDEDRO
N#Cc1csc(CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)n1	ZINC000887981468	997993350	/nfs/dbraw/zinc/99/33/50/997993350.db2.gz	GACJLQZRJJLEPO-UHFFFAOYSA-N	1	0	355.467	1.843	20	30		FDEDRO
N#Cc1cc(F)cc(C2(C(=O)N3CC[C@@H]4[C@@H]3CCC[N@H+]4CCO)CC2)c1	ZINC000889756552	998604437	/nfs/dbraw/zinc/60/44/37/998604437.db2.gz	OKWWHVWENNZEST-MSOLQXFVSA-N	1	0	357.429	1.787	20	30		FDEDRO
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000889775126	998644856	/nfs/dbraw/zinc/64/48/56/998644856.db2.gz	LICUVRUQKSVVKZ-IAGOWNOFSA-N	1	0	368.437	1.922	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c(OC)c1	ZINC000889783544	998657559	/nfs/dbraw/zinc/65/75/59/998657559.db2.gz	YQMMKNVTDFQREU-QZTJIDSGSA-N	1	0	374.481	1.860	20	30		FDEDRO
C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2cccc(CC#N)n2)C1	ZINC000889867304	998713424	/nfs/dbraw/zinc/71/34/24/998713424.db2.gz	PGWQTWYQHUWVJO-AWEZNQCLSA-N	1	0	357.458	1.713	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C3CC3)c(C#N)c2)C1	ZINC000889955432	998744238	/nfs/dbraw/zinc/74/42/38/998744238.db2.gz	RVRXRJQDKGBAHI-MRXNPFEDSA-N	1	0	356.426	1.211	20	30		FDEDRO
C#C[C@H](CC)NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000890215698	998873372	/nfs/dbraw/zinc/87/33/72/998873372.db2.gz	RXUQMUWVBRTFIN-QAPCUYQASA-N	1	0	354.454	1.438	20	30		FDEDRO
C#CCCN(CCOC)C(=O)C(=O)NCC1([NH+](C)C)CCCCCC1	ZINC000826687497	998901309	/nfs/dbraw/zinc/90/13/09/998901309.db2.gz	VRZNXBFBGUSUKN-UHFFFAOYSA-N	1	0	351.491	1.256	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1	ZINC000890363097	998914654	/nfs/dbraw/zinc/91/46/54/998914654.db2.gz	KICWQPLQKKJRRE-WOJBJXKFSA-N	1	0	370.497	1.150	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNc3ccc(C#N)nc3)C2)CC[N@@H+]1C	ZINC001066688216	999025509	/nfs/dbraw/zinc/02/55/09/999025509.db2.gz	YALAIWOMFFDFHJ-FGTMMUONSA-N	1	0	357.458	1.323	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccn(C)c(=O)c1	ZINC001110859480	999059284	/nfs/dbraw/zinc/05/92/84/999059284.db2.gz	AHYAJYQBAOEJCE-DCXXXQMHSA-N	1	0	373.497	1.836	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1csnn1)C2	ZINC001110867105	999079246	/nfs/dbraw/zinc/07/92/46/999079246.db2.gz	AQIXSXPXJZOCDL-NFAWXSAZSA-N	1	0	361.471	1.074	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccn(CC(=O)OC)n1)C(C)C	ZINC000266456920	999167748	/nfs/dbraw/zinc/16/77/48/999167748.db2.gz	RYIYIULBBRRMTN-OAHLLOKOSA-N	1	0	363.462	1.876	20	30		FDEDRO
N#CCCN(C(=O)CN1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1	ZINC000267448064	999338592	/nfs/dbraw/zinc/33/85/92/999338592.db2.gz	QLVSSLBOYYFTPU-GOSISDBHSA-N	1	0	356.470	1.587	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1c(C)nn(C)c1C)C(C)C	ZINC000269940629	999489146	/nfs/dbraw/zinc/48/91/46/999489146.db2.gz	MJVSYODAAQICAO-INIZCTEOSA-N	1	0	361.490	1.790	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCC(c3ncc[nH]3)CC2)CC1	ZINC000271183225	999672077	/nfs/dbraw/zinc/67/20/77/999672077.db2.gz	IHPJLWWUQCQFGP-QGZVFWFLSA-N	1	0	358.490	1.281	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1	ZINC000271671468	999723645	/nfs/dbraw/zinc/72/36/45/999723645.db2.gz	QCHSSEFJFLPJCN-UHFFFAOYSA-N	1	0	358.446	1.215	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)CC1	ZINC000274201661	999737024	/nfs/dbraw/zinc/73/70/24/999737024.db2.gz	LLPMLWUHXUNFHQ-UHFFFAOYSA-N	1	0	355.442	1.341	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c(F)c1	ZINC000283392496	999751722	/nfs/dbraw/zinc/75/17/22/999751722.db2.gz	VYZZDVSDPGAUNM-AWEZNQCLSA-N	1	0	361.392	1.971	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)NCCCn1ccnc1)C(C)C	ZINC000283412401	999751976	/nfs/dbraw/zinc/75/19/76/999751976.db2.gz	YXDRTUPTGWEABX-KRWDZBQOSA-N	1	0	361.490	1.204	20	30		FDEDRO
C#CCN(C)C(=O)C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000283585661	999757508	/nfs/dbraw/zinc/75/75/08/999757508.db2.gz	KRINUKXXHAEDIP-QGZVFWFLSA-N	1	0	365.437	1.360	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NC1CC[NH+](CC)CC1	ZINC000283601980	999758066	/nfs/dbraw/zinc/75/80/66/999758066.db2.gz	WGZSYJSAXJPTQA-UHFFFAOYSA-N	1	0	359.470	1.810	20	30		FDEDRO
C[N@H+](CCCNC(=O)C(=O)NCc1cccc(C#N)c1)Cc1ccccc1	ZINC000283634932	999758922	/nfs/dbraw/zinc/75/89/22/999758922.db2.gz	WVEADKRHXBDURH-UHFFFAOYSA-N	1	0	364.449	1.813	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1	ZINC000284581569	999852545	/nfs/dbraw/zinc/85/25/45/999852545.db2.gz	VKKBHKGZRPCXAK-HZPDHXFCSA-N	1	0	359.470	1.556	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)Cc1ccc(C#N)cc1	ZINC000284887745	999878812	/nfs/dbraw/zinc/87/88/12/999878812.db2.gz	FKDLNRCTFSQOCW-CVEARBPZSA-N	1	0	356.470	1.753	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000285291141	999908896	/nfs/dbraw/zinc/90/88/96/999908896.db2.gz	RPVUYGDKOUPAJU-SFHVURJKSA-N	1	0	368.481	1.897	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)Oc2ccccc2F)CC1	ZINC000286439549	999944515	/nfs/dbraw/zinc/94/45/15/999944515.db2.gz	GYWONUMGLCXXRY-AWEZNQCLSA-N	1	0	363.433	1.476	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2cc(F)cc(OC)c2)CC1	ZINC000286661575	999945887	/nfs/dbraw/zinc/94/58/87/999945887.db2.gz	NWSPWUBPVIYZIN-UHFFFAOYSA-N	1	0	363.433	1.607	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CCOC)Cc2ccccc2)CC1	ZINC000286747847	999948814	/nfs/dbraw/zinc/94/88/14/999948814.db2.gz	SNVZOMDDINICFX-UHFFFAOYSA-N	1	0	373.497	1.818	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2cc(F)c(F)c(F)c2)CC1	ZINC000286867033	999952868	/nfs/dbraw/zinc/95/28/68/999952868.db2.gz	ZZZFDFVIUHCDLM-UHFFFAOYSA-N	1	0	369.387	1.829	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C	ZINC000287287791	999956351	/nfs/dbraw/zinc/95/63/51/999956351.db2.gz	JXHKFLCGASIBNC-DOTOQJQBSA-N	1	0	359.470	1.666	20	30		FDEDRO
C#CCC(CC#C)C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000287513803	999958174	/nfs/dbraw/zinc/95/81/74/999958174.db2.gz	IJAUDGGXHRBHFG-HXUWFJFHSA-N	1	0	365.477	1.663	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C	ZINC000288990533	1000066336	/nfs/dbraw/zinc/06/63/36/1000066336.db2.gz	LIFHWOYBSMANQR-JKSUJKDBSA-N	1	0	355.438	1.722	20	30		FDEDRO
CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N(C)C[C@@H](C)C#N)c1	ZINC000289032307	1000070167	/nfs/dbraw/zinc/07/01/67/1000070167.db2.gz	AWIZQJODUROIBQ-AWEZNQCLSA-N	1	0	373.457	1.523	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1	ZINC000290676057	1000152607	/nfs/dbraw/zinc/15/26/07/1000152607.db2.gz	GRTWANGQMSDWFR-SFHVURJKSA-N	1	0	354.454	1.650	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)N1CCN(c2ccccc2)CC1	ZINC000291898005	1000199674	/nfs/dbraw/zinc/19/96/74/1000199674.db2.gz	KTHFIXBCRCKAQQ-UHFFFAOYSA-N	1	0	371.485	1.029	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)OCC[C@@H]2CCCC[N@H+]2C)c1	ZINC000927577088	1000919502	/nfs/dbraw/zinc/91/95/02/1000919502.db2.gz	YGSSGYHRLSMWJR-INIZCTEOSA-N	1	0	364.467	1.629	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CCC[C@@H](CC[NH3+])C3)cc21	ZINC000927800337	1001059587	/nfs/dbraw/zinc/05/95/87/1001059587.db2.gz	DZJFDNISMUEZKC-AWEZNQCLSA-N	1	0	355.442	1.748	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CCC[C@@]4(CC[NH2+]C4)C3)cc21	ZINC000927800316	1001059613	/nfs/dbraw/zinc/05/96/13/1001059613.db2.gz	HKXFJJUBWJHYQA-FQEVSTJZSA-N	1	0	367.453	1.763	20	30		FDEDRO
N#CCCc1ccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1	ZINC000927808054	1001068862	/nfs/dbraw/zinc/06/88/62/1001068862.db2.gz	XXAJOROMZHKXCT-OCCSQVGLSA-N	1	0	368.359	1.677	20	30		FDEDRO
N#Cc1ccc(C[C@H](C#N)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)cc1	ZINC000928088482	1001348263	/nfs/dbraw/zinc/34/82/63/1001348263.db2.gz	YLLOOYOEGXUVFP-FGTMMUONSA-N	1	0	354.479	1.937	20	30		FDEDRO
C=CCOC(=O)[C@H](CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)NC(=O)OC(C)(C)C	ZINC000928428728	1001518680	/nfs/dbraw/zinc/51/86/80/1001518680.db2.gz	SSDWSBDSCPYDLV-RDBSUJKOSA-N	1	0	369.462	1.208	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cnn3c2nccc3-c2cccnc2)CC1	ZINC000928648193	1001606099	/nfs/dbraw/zinc/60/60/99/1001606099.db2.gz	LPQLDYJHDRSXBT-UHFFFAOYSA-N	1	0	360.421	1.619	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)CC1	ZINC000928648616	1001606134	/nfs/dbraw/zinc/60/61/34/1001606134.db2.gz	NYGDLYMYWFCEFZ-ZDUSSCGKSA-N	1	0	361.392	1.532	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C[C@@H](C)n2cc(Br)cn2)CC1	ZINC000928649340	1001607148	/nfs/dbraw/zinc/60/71/48/1001607148.db2.gz	HRIRIMKZXBUODH-GFCCVEGCSA-N	1	0	353.264	1.811	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1	ZINC000928651254	1001608353	/nfs/dbraw/zinc/60/83/53/1001608353.db2.gz	ROAGMYKKCWZWIN-UHFFFAOYSA-N	1	0	353.382	1.608	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1	ZINC000928656848	1001612530	/nfs/dbraw/zinc/61/25/30/1001612530.db2.gz	FGWBGFHRMYXQNJ-QGZVFWFLSA-N	1	0	359.857	1.907	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)CC1	ZINC000928657996	1001613362	/nfs/dbraw/zinc/61/33/62/1001613362.db2.gz	IPKVWMMBHPAAEQ-QGZVFWFLSA-N	1	0	369.465	1.258	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CNC(=O)c2ccccc2OC(F)F)CC1	ZINC000928658921	1001614399	/nfs/dbraw/zinc/61/43/99/1001614399.db2.gz	YIWTZGADKMLNIY-UHFFFAOYSA-N	1	0	365.380	1.232	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2)CC1	ZINC000928658913	1001614428	/nfs/dbraw/zinc/61/44/28/1001614428.db2.gz	XYSVTMOSRDXRCM-MRXNPFEDSA-N	1	0	369.465	1.570	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3cccc(SC)c3)C2)CC1	ZINC000928659273	1001614544	/nfs/dbraw/zinc/61/45/44/1001614544.db2.gz	JFSYNKCEXVAEEF-HNNXBMFYSA-N	1	0	371.506	1.975	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cccc(NS(=O)(=O)CCC)c2)CC1	ZINC000928659342	1001615402	/nfs/dbraw/zinc/61/54/02/1001615402.db2.gz	MFQYLXSSTBUFNZ-UHFFFAOYSA-N	1	0	363.483	1.666	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)CC1	ZINC000928660417	1001615939	/nfs/dbraw/zinc/61/59/39/1001615939.db2.gz	DFYJSNLKPPHHBH-SFHVURJKSA-N	1	0	353.466	1.557	20	30		FDEDRO
CCCCCCCCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000929143060	1001770027	/nfs/dbraw/zinc/77/00/27/1001770027.db2.gz	JPBXNUPPUCHPAP-DLBZAZTESA-N	1	0	353.507	1.521	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)cc1C#N	ZINC000929243499	1001848164	/nfs/dbraw/zinc/84/81/64/1001848164.db2.gz	AWGKBPLFFZKPKA-UHFFFAOYSA-N	1	0	356.470	1.721	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1cccnc1OC(C)C)C1CC[NH+](C)CC1	ZINC000929443490	1002063319	/nfs/dbraw/zinc/06/33/19/1002063319.db2.gz	ARTPNJSQEVGFJZ-UHFFFAOYSA-N	1	0	372.469	1.041	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1C#N	ZINC000929696032	1002355957	/nfs/dbraw/zinc/35/59/57/1002355957.db2.gz	UDYMFWRZNDBFOQ-ZBFHGGJFSA-N	1	0	356.470	1.720	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1	ZINC000948469452	1002376425	/nfs/dbraw/zinc/37/64/25/1002376425.db2.gz	NWVBMEQJQXNSKU-SJORKVTESA-N	1	0	361.486	1.313	20	30		FDEDRO
C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C#N)c(F)c1	ZINC001111277373	1002473421	/nfs/dbraw/zinc/47/34/21/1002473421.db2.gz	ONNJNEKIWHQBQD-QRQLOZEOSA-N	1	0	374.460	1.497	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2cnn(CC3CCC3)c2)CC1	ZINC000930006124	1002728425	/nfs/dbraw/zinc/72/84/25/1002728425.db2.gz	BUWHTZVZJLSTOS-UHFFFAOYSA-N	1	0	359.474	1.066	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)CC1	ZINC000930010019	1002733261	/nfs/dbraw/zinc/73/32/61/1002733261.db2.gz	MHITWZLDGBMLDA-AWQBJMPUSA-N	1	0	357.498	1.814	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2	ZINC001110979757	1002742235	/nfs/dbraw/zinc/74/22/35/1002742235.db2.gz	BVPNIUDYAMZBPP-TVFCKZIOSA-N	1	0	364.534	1.473	20	30		FDEDRO
C=CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC000948929725	1002835649	/nfs/dbraw/zinc/83/56/49/1002835649.db2.gz	RNFJCDSFTJHIDH-NSISKUIASA-N	1	0	357.498	1.997	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1nc2cc(C)ccc2[nH]1)C1CC[NH+](C)CC1	ZINC000930226317	1002946331	/nfs/dbraw/zinc/94/63/31/1002946331.db2.gz	ARIUVTJPFPOXFW-UHFFFAOYSA-N	1	0	367.453	1.044	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCOC2(CC[NH+](C[C@@H](C)O)CC2)C1	ZINC000949209650	1003103588	/nfs/dbraw/zinc/10/35/88/1003103588.db2.gz	NGORIOVDWKIOIM-IKGGRYGDSA-N	1	0	352.475	1.042	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC1CCC(C)([NH+]2CCCC2)CC1)[C@H]1CCCO1	ZINC000930470153	1003174807	/nfs/dbraw/zinc/17/48/07/1003174807.db2.gz	MVRWZFLGSUUWQX-ZEVUXNIQSA-N	1	0	361.486	1.197	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)C(=O)O1	ZINC000930639173	1003352561	/nfs/dbraw/zinc/35/25/61/1003352561.db2.gz	MANMCZOWWJESQX-MJBXVCDLSA-N	1	0	352.431	1.472	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@]2(CO[C@@H](C[N@@H+]3CC[C@](O)(CC#N)C3)C2)C1	ZINC000930818647	1003542919	/nfs/dbraw/zinc/54/29/19/1003542919.db2.gz	KOFFUHIZXURSPC-ATZDWAIDSA-N	1	0	365.474	1.753	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1	ZINC000966371341	1016797812	/nfs/dbraw/zinc/79/78/12/1016797812.db2.gz	YDNKJRBOQHDNEM-OAGGEKHMSA-N	1	0	351.491	1.149	20	30		FDEDRO
CCOC(=O)C1CCC(O)(C[C@@H](O)C[N@@H+]2CCC[C@@H](CC#N)C2)CC1	ZINC000930921065	1003664398	/nfs/dbraw/zinc/66/43/98/1003664398.db2.gz	AXOBWKDFHLGSII-SDDULXJBSA-N	1	0	352.475	1.847	20	30		FDEDRO
C=CC[N@H+](C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)[C@@H](C)COC	ZINC000930931810	1003673794	/nfs/dbraw/zinc/67/37/94/1003673794.db2.gz	BRLFYHLYIGAFBM-LSDHHAIUSA-N	1	0	362.536	1.511	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC000949858873	1003755966	/nfs/dbraw/zinc/75/59/66/1003755966.db2.gz	YJPWCXPOWCUECB-RHSMWYFYSA-N	1	0	357.458	1.339	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCC(C1CCC1)C1CCC1)C1CC[NH+](C)CC1	ZINC000931056315	1003827308	/nfs/dbraw/zinc/82/73/08/1003827308.db2.gz	ZJEHNTUIHSYJAY-UHFFFAOYSA-N	1	0	359.514	1.875	20	30		FDEDRO
COC(=O)c1cccc(NC(=O)NCC#CC[NH+](C)C)c1Br	ZINC000931087690	1003864818	/nfs/dbraw/zinc/86/48/18/1003864818.db2.gz	QPLAAZCTMKGJEE-UHFFFAOYSA-N	1	0	368.231	1.922	20	30		FDEDRO
CC(C)(C#N)CC[NH+]1CCN(CCNS(=O)(=O)c2ccccc2)CC1	ZINC000931125619	1003906244	/nfs/dbraw/zinc/90/62/44/1003906244.db2.gz	JFWDEYIEZIENAO-UHFFFAOYSA-N	1	0	364.515	1.522	20	30		FDEDRO
C#CC1(O)CC[NH+](C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000931151784	1003926189	/nfs/dbraw/zinc/92/61/89/1003926189.db2.gz	UDKKZKKHGZOFDX-LJQANCHMSA-N	1	0	352.475	1.599	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H]1c2ccccc2CC[C@H]1F)C1CC[NH+](C)CC1	ZINC000931239727	1003988038	/nfs/dbraw/zinc/98/80/38/1003988038.db2.gz	ICDSLQGCGDZAMQ-MOPGFXCFSA-N	1	0	371.456	1.684	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](N3CC[NH+](CCCCCO)CC3)C2=O)cc1	ZINC000931496080	1004214798	/nfs/dbraw/zinc/21/47/98/1004214798.db2.gz	JJGLDMOBROUBLC-FQEVSTJZSA-N	1	0	370.497	1.834	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@@H](N2CC[NH+](CCCCCO)CC2)C1=O	ZINC000931497073	1004215918	/nfs/dbraw/zinc/21/59/18/1004215918.db2.gz	MTHXPCQZVMXZKC-MRXNPFEDSA-N	1	0	362.499	1.505	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)NCc1cc(C#N)ccc1F)C[NH+]1CCCCC1	ZINC000931594801	1004298687	/nfs/dbraw/zinc/29/86/87/1004298687.db2.gz	YOTBBMASXWOHFP-AWEZNQCLSA-N	1	0	360.433	1.552	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1	ZINC000947068732	1004299313	/nfs/dbraw/zinc/29/93/13/1004299313.db2.gz	DLIGDLXNMNPZLR-IRXDYDNUSA-N	1	0	363.502	1.559	20	30		FDEDRO
CC1([NH+]2CCC2)CCC(NC(=O)C(=O)NCc2cc(C#N)ccc2F)CC1	ZINC000931598931	1004302633	/nfs/dbraw/zinc/30/26/33/1004302633.db2.gz	OTVGATHQRKCJKG-UHFFFAOYSA-N	1	0	372.444	1.837	20	30		FDEDRO
CC1(C)CNC(=O)[C@@H]1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000931659510	1004376906	/nfs/dbraw/zinc/37/69/06/1004376906.db2.gz	VSVLGTUILDOJCS-HNNXBMFYSA-N	1	0	367.371	1.287	20	30		FDEDRO
CC[C@@H](CO)[NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2	ZINC000931770414	1004483653	/nfs/dbraw/zinc/48/36/53/1004483653.db2.gz	BZBOCLPIIOQIIM-GJZGRUSLSA-N	1	0	374.485	1.717	20	30		FDEDRO
COC(=O)[C@@H](C)Oc1ccc(NC(=O)NCC#CC[NH+](C)C)cc1F	ZINC000932011033	1004703449	/nfs/dbraw/zinc/70/34/49/1004703449.db2.gz	DJDYOTMZBVANKY-GFCCVEGCSA-N	1	0	351.378	1.453	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc[nH]c1C1CCC1)C2	ZINC001111021862	1004706608	/nfs/dbraw/zinc/70/66/08/1004706608.db2.gz	HDFFJQKAMYUYEK-NZPGVSJUSA-N	1	0	368.481	1.755	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1C#N	ZINC000932474059	1004976860	/nfs/dbraw/zinc/97/68/60/1004976860.db2.gz	FUVZUONGJJMAJJ-UHFFFAOYSA-N	1	0	356.470	1.816	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc1C#N	ZINC000932474127	1004976941	/nfs/dbraw/zinc/97/69/41/1004976941.db2.gz	BAVPXSJXDQHGGM-GOSISDBHSA-N	1	0	372.469	1.052	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1C#N	ZINC000932478297	1004980691	/nfs/dbraw/zinc/98/06/91/1004980691.db2.gz	HFQWUKXWIIOUPS-AEFFLSMTSA-N	1	0	354.454	1.426	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1C#N	ZINC000932478774	1004981314	/nfs/dbraw/zinc/98/13/14/1004981314.db2.gz	PUOKBHSBGNDVNA-HNNXBMFYSA-N	1	0	356.470	1.672	20	30		FDEDRO
CC(C)C[C@H](NC(=O)N[C@@H](CC#N)C(F)(F)F)C(=O)NCC[NH+](C)C	ZINC000932909866	1005239384	/nfs/dbraw/zinc/23/93/84/1005239384.db2.gz	HHZFFXUWGMLQSF-RYUDHWBXSA-N	1	0	365.400	1.223	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(C(=O)N[C@H](CC#N)C(F)(F)F)CC2)c1	ZINC000932918799	1005244110	/nfs/dbraw/zinc/24/41/10/1005244110.db2.gz	VWMKAGPFDPVCLP-GFCCVEGCSA-N	1	0	357.336	1.766	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)N[C@H](CC#N)C(F)(F)F)cn2)CC1	ZINC000932927300	1005248526	/nfs/dbraw/zinc/24/85/26/1005248526.db2.gz	ULLFUZASVFICPW-CYBMUJFWSA-N	1	0	370.379	1.477	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)N3CN(CC[NH+](C)C)C(=O)[C@H]3C)cc21	ZINC000933084243	1005344140	/nfs/dbraw/zinc/34/41/40/1005344140.db2.gz	OQLVVLUMPSLCHW-CQSZACIVSA-N	1	0	370.457	1.806	20	30		FDEDRO
C[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)C[C@H]1CCN1C(=O)OC(C)(C)C	ZINC000933464619	1005562170	/nfs/dbraw/zinc/56/21/70/1005562170.db2.gz	KKSDYABNAJXCLV-CVEARBPZSA-N	1	0	367.490	1.999	20	30		FDEDRO
C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCO[C@](C)(C#N)C1	ZINC000933601776	1005587871	/nfs/dbraw/zinc/58/78/71/1005587871.db2.gz	PYPNVRVPGXQGPX-DYESRHJHSA-N	1	0	370.497	1.770	20	30		FDEDRO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1	ZINC000933851509	1005647140	/nfs/dbraw/zinc/64/71/40/1005647140.db2.gz	UIZTVMBQYYIIPH-HNNXBMFYSA-N	1	0	356.470	1.926	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H]2CCOC23CCCCC3)CC1	ZINC000933871202	1005651387	/nfs/dbraw/zinc/65/13/87/1005651387.db2.gz	HCXIMEKJSGKLOM-ROUUACIJSA-N	1	0	362.518	1.760	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H]3[C@@H]2CCCN3CCO)cc1	ZINC000934253670	1005721767	/nfs/dbraw/zinc/72/17/67/1005721767.db2.gz	GPHIMIQGQVOEFN-HOJAQTOUSA-N	1	0	359.470	1.023	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH+]1CCC(CN=[S@](C)(=O)N(C)C)CC1	ZINC000934760216	1005795402	/nfs/dbraw/zinc/79/54/02/1005795402.db2.gz	ZCQOYIUIQYLLQN-DEOSSOPVSA-N	1	0	358.552	1.697	20	30		FDEDRO
COCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1	ZINC001111092517	1005884123	/nfs/dbraw/zinc/88/41/23/1005884123.db2.gz	VTTYOIWBEFQKRS-PIKADFDJSA-N	1	0	357.454	1.831	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NC[C@H](O)C3CCCCC3)=[NH+]C[C@@H]2C1	ZINC000089120509	1006010537	/nfs/dbraw/zinc/01/05/37/1006010537.db2.gz	UYXAMUDYCXPINW-CVEARBPZSA-N	1	0	366.506	1.808	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)C2	ZINC001111118841	1006289040	/nfs/dbraw/zinc/28/90/40/1006289040.db2.gz	XKGQQHUGERNBLP-WCVJEAGWSA-N	1	0	357.520	1.248	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O	ZINC000246010960	1006321991	/nfs/dbraw/zinc/32/19/91/1006321991.db2.gz	RLSSJCWHZIDDKH-MWDXBVQZSA-N	1	0	362.470	1.827	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3ccnc3)nn1)C2	ZINC001111138476	1006383755	/nfs/dbraw/zinc/38/37/55/1006383755.db2.gz	HOMKOJXYDVZTKL-OIISXLGYSA-N	1	0	368.441	1.200	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(C)(NC(=O)[C@@H]3C[C@H]3CC)CC2)CC1	ZINC000956506126	1006593803	/nfs/dbraw/zinc/59/38/03/1006593803.db2.gz	BTAMLBQMPCKWBW-SJLPKXTDSA-N	1	0	359.514	1.875	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1	ZINC000954381053	1006652578	/nfs/dbraw/zinc/65/25/78/1006652578.db2.gz	SJZHLUYXXKYJTD-AYBZRNKSSA-N	1	0	363.502	1.511	20	30		FDEDRO
C[C@H](O)C[C@H]1CCC[N@@H+]1CN1CC(=O)N(Cc2ccccc2C#N)C1=O	ZINC000155428410	1006680908	/nfs/dbraw/zinc/68/09/08/1006680908.db2.gz	HFRHNSOTLOXLFT-WMLDXEAASA-N	1	0	356.426	1.515	20	30		FDEDRO
C[NH+]=C(NCc1ccnc(C)n1)N1CCN(c2cc(F)ccc2F)CC1	ZINC000156180416	1006771888	/nfs/dbraw/zinc/77/18/88/1006771888.db2.gz	SCFVQBYUWMCYMW-UHFFFAOYSA-N	1	0	360.412	1.961	20	30		FDEDRO
COC(=O)[C@@]1(NC(=O)c2c[nH]c(C#N)c2)CCC[N@H+](Cc2ccccc2)C1	ZINC000778879787	1006951609	/nfs/dbraw/zinc/95/16/09/1006951609.db2.gz	PCGXBMUATMQQOM-HXUWFJFHSA-N	1	0	366.421	1.824	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C(C)C)c1)C2	ZINC001111224432	1006958644	/nfs/dbraw/zinc/95/86/44/1006958644.db2.gz	HFGRNPPFQAAYPA-QRVBRYPASA-N	1	0	353.466	1.895	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)Cn2cc(C[C@H]3CC[NH2+]C3)nn2)c(OC)c1	ZINC000641209570	1007016840	/nfs/dbraw/zinc/01/68/40/1007016840.db2.gz	YUILGPIRBUAXRD-AEFFLSMTSA-N	1	0	372.469	1.607	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](N3CC[NH+](CCCCO)CC3)C2=O)cc1	ZINC000778951211	1007060526	/nfs/dbraw/zinc/06/05/26/1007060526.db2.gz	HQWTZDWYYKUQOQ-LJQANCHMSA-N	1	0	356.470	1.444	20	30		FDEDRO
O=C(C#CC1CC1)N[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCCS(=O)(=O)C1)C2	ZINC001111740498	1007084941	/nfs/dbraw/zinc/08/49/41/1007084941.db2.gz	ACOBEAHWURKWQZ-LNLFQRSKSA-N	1	0	364.511	1.195	20	30		FDEDRO
C#CCCCCNC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1	ZINC000159067230	1007101351	/nfs/dbraw/zinc/10/13/51/1007101351.db2.gz	QEKPMEDNUDNWKZ-UHFFFAOYSA-N	1	0	358.442	1.435	20	30		FDEDRO
C[NH+]=C(N[C@@H]1C[C@](C)(OC)C1(C)C)N[C@@H]1CCc2nc(COC)nn2C1	ZINC000159098126	1007106550	/nfs/dbraw/zinc/10/65/50/1007106550.db2.gz	PBNGTLXHVDSKHE-VFVRVIDISA-N	1	0	364.494	1.108	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@](C)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC000957013123	1007525773	/nfs/dbraw/zinc/52/57/73/1007525773.db2.gz	XNHRUXYILDHMQJ-ZTQAJYAQSA-N	1	0	354.454	1.124	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)nc1	ZINC000957458180	1008309977	/nfs/dbraw/zinc/30/99/77/1008309977.db2.gz	MXAOOLUWLKRHAK-CRAIPNDOSA-N	1	0	366.465	1.268	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C)nc1	ZINC000949943527	1008546592	/nfs/dbraw/zinc/54/65/92/1008546592.db2.gz	FDILKNUOZFGXSX-RHSMWYFYSA-N	1	0	354.454	1.124	20	30		FDEDRO
C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccccc2C#N)CCC(=O)NC1	ZINC001095901243	1008622352	/nfs/dbraw/zinc/62/23/52/1008622352.db2.gz	OTIZZQDMNWYJDS-OEMYIYORSA-N	1	0	366.465	1.696	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)nn1	ZINC000648833680	1008666460	/nfs/dbraw/zinc/66/64/60/1008666460.db2.gz	WCZWMPPFOSTOFE-IAGOWNOFSA-N	1	0	355.442	1.077	20	30		FDEDRO
CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(Cc2ccc(OCC#N)cc2)C1	ZINC000950052678	1008698422	/nfs/dbraw/zinc/69/84/22/1008698422.db2.gz	MEXOTNLLCMUKBQ-IAGOWNOFSA-N	1	0	358.398	1.287	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1	ZINC000950382618	1009109945	/nfs/dbraw/zinc/10/99/45/1009109945.db2.gz	USYRQXUJCHWJTP-HZPDHXFCSA-N	1	0	356.470	1.347	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1	ZINC000646954926	1009334083	/nfs/dbraw/zinc/33/40/83/1009334083.db2.gz	FWAVFPHTKUMSNN-VQIMIIECSA-N	1	0	371.481	1.748	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCc2ccc3c(c2)OCO3)CC1	ZINC000303719914	1009525654	/nfs/dbraw/zinc/52/56/54/1009525654.db2.gz	WEYMLHLBYOKNAH-UHFFFAOYSA-N	1	0	362.430	1.783	20	30		FDEDRO
[NH2+]=C(NCCCOC[C@@H]1CCCO1)N1CCN(c2ccc(F)cc2)CC1	ZINC000303782269	1009582166	/nfs/dbraw/zinc/58/21/66/1009582166.db2.gz	NBSDYHSXLIDMNV-SFHVURJKSA-N	1	0	364.465	1.848	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@]1(C)CCS(=O)(=O)N1)C2	ZINC001111325566	1009639697	/nfs/dbraw/zinc/63/96/97/1009639697.db2.gz	JTHOTKULCJDKOY-PNBKFKSVSA-N	1	0	355.504	1.146	20	30		FDEDRO
C=CCc1cc(C(=O)NC[C@](C)(O)CC[NH+](C)C)cc(OC)c1OC	ZINC000779544438	1009941956	/nfs/dbraw/zinc/94/19/56/1009941956.db2.gz	MFUXMDPTYWPDRT-LJQANCHMSA-N	1	0	350.459	1.865	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)C2	ZINC001111353133	1010407687	/nfs/dbraw/zinc/40/76/87/1010407687.db2.gz	JJEHOKLPHJPRKZ-TUVASFSCSA-N	1	0	362.474	1.393	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCCOCC2CCOCC2)CC1	ZINC000304741822	1010476879	/nfs/dbraw/zinc/47/68/79/1010476879.db2.gz	CHPNVBQUYXEAAB-UHFFFAOYSA-N	1	0	370.494	1.345	20	30		FDEDRO
CCN(CC)c1ccc(CNC(NCCN2CCOCC2)=[NH+]C)cc1F	ZINC000304760005	1010479207	/nfs/dbraw/zinc/47/92/07/1010479207.db2.gz	RUDPFGDEZONJEE-UHFFFAOYSA-N	1	0	365.497	1.669	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCCCOC2CCOCC2)CC1	ZINC000304802541	1010498561	/nfs/dbraw/zinc/49/85/61/1010498561.db2.gz	POVQDPAAAUEECJ-UHFFFAOYSA-N	1	0	370.494	1.440	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1	ZINC000951151622	1010515160	/nfs/dbraw/zinc/51/51/60/1010515160.db2.gz	KZGRUQGXCPUKII-ARFHVFGLSA-N	1	0	367.453	1.922	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)cc1	ZINC000951444774	1010840528	/nfs/dbraw/zinc/84/05/28/1010840528.db2.gz	VORLQYDAEPAINF-CEXWTWQISA-N	1	0	353.466	1.729	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c(=O)oc3ccccc31)C2	ZINC001111383751	1010992390	/nfs/dbraw/zinc/99/23/90/1010992390.db2.gz	MFOQKKSQYYPKHJ-OAGGEKHMSA-N	1	0	371.437	1.519	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2cccc(C#N)c2)O1	ZINC000960722174	1011254899	/nfs/dbraw/zinc/25/48/99/1011254899.db2.gz	YUKGRIIHFIEUDD-NSISKUIASA-N	1	0	370.497	1.700	20	30		FDEDRO
C[C@@H](ONC(N)=C1C(=[NH2+])C2(CCCC2)N(C)C1=O)c1ccc(C#N)cc1	ZINC000194627518	1011290136	/nfs/dbraw/zinc/29/01/36/1011290136.db2.gz	SJBWVWMJCSAPMI-GFCCVEGCSA-N	1	0	353.426	1.906	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccc2c[nH+]cn2c1	ZINC000952178053	1011391527	/nfs/dbraw/zinc/39/15/27/1011391527.db2.gz	SWXDRLZFELFNEY-ZACQAIPSSA-N	1	0	354.410	1.256	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)CC1	ZINC000195004687	1011544038	/nfs/dbraw/zinc/54/40/38/1011544038.db2.gz	KGFWJWDNNIYRLQ-UHFFFAOYSA-N	1	0	354.454	1.669	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)CC[N@@H+]1C	ZINC000952293872	1011578096	/nfs/dbraw/zinc/57/80/96/1011578096.db2.gz	XEJMSGFCOOXTHO-CZUORRHYSA-N	1	0	357.458	1.195	20	30		FDEDRO
C[NH+](C)CCNC(=O)C1CCN(C(=O)c2ccccc2OCC#N)CC1	ZINC000195339792	1011653566	/nfs/dbraw/zinc/65/35/66/1011653566.db2.gz	HDJDCLTWGJCSDJ-UHFFFAOYSA-N	1	0	358.442	1.119	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@@H]2CCN3C(=O)[C@@H]2C[C@H]2CC)CC1	ZINC000963214117	1011992334	/nfs/dbraw/zinc/99/23/34/1011992334.db2.gz	MVLCPZZNHWERLU-LMCOJAPRSA-N	1	0	371.525	1.970	20	30		FDEDRO
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CC#Cc1cccc(Cl)c1)[C@@H]1CCNC1=O	ZINC001095868278	1011993471	/nfs/dbraw/zinc/99/34/71/1011993471.db2.gz	JMOLADSCGTUQCH-BDXSIMOUSA-N	1	0	371.868	1.549	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CCN(C(=O)C#CC4CC4)C3)C2)CC[N@@H+]1C	ZINC000952908637	1012107181	/nfs/dbraw/zinc/10/71/81/1012107181.db2.gz	KQHCFNVHCCAIBY-BLIXFSHQSA-N	1	0	357.498	1.581	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CCN(C(=O)c4c[nH]c(C#N)c4)C3)C2)CC[N@@H+]1C	ZINC000953156802	1012287169	/nfs/dbraw/zinc/28/71/69/1012287169.db2.gz	NUGRUWSKABNKAU-WIBUTAKZSA-N	1	0	369.469	1.291	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCCN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)CC[N@@H+]1C	ZINC000963731375	1012607341	/nfs/dbraw/zinc/60/73/41/1012607341.db2.gz	XYIRSLNBAOBLAA-CXHZTBPHSA-N	1	0	369.469	1.290	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1ccnn1C)C2	ZINC000963815942	1012731183	/nfs/dbraw/zinc/73/11/83/1012731183.db2.gz	OJIIYWZRWCTNOP-CPNAEUAOSA-N	1	0	358.486	1.918	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2	ZINC000636114225	1012738993	/nfs/dbraw/zinc/73/89/93/1012738993.db2.gz	XZIYSXXRHGVJFH-SFHLNBCPSA-N	1	0	356.466	1.416	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOc3cccc(F)c3)C[C@H]21	ZINC000961832201	1012905176	/nfs/dbraw/zinc/90/51/76/1012905176.db2.gz	JXUJBBZFQQLBKC-GFEQUFNTSA-N	1	0	360.429	1.842	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCc3ccc(OC)cc3)C[C@H]21	ZINC000961835122	1012910641	/nfs/dbraw/zinc/91/06/41/1012910641.db2.gz	RTENYHZSOUDWRW-SLHNCBLASA-N	1	0	356.466	1.875	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1	ZINC000953947444	1012932832	/nfs/dbraw/zinc/93/28/32/1012932832.db2.gz	APAPUGCHDKFCMZ-JQHSSLGASA-N	1	0	363.502	1.369	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NC2CC(C[NH2+]Cc3ccc(C#N)cc3)C2)C1	ZINC000961847399	1012936017	/nfs/dbraw/zinc/93/60/17/1012936017.db2.gz	AYDBTMKZMYGGBQ-HELAGCTPSA-N	1	0	354.454	1.457	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1	ZINC000967048379	1017085493	/nfs/dbraw/zinc/08/54/93/1017085493.db2.gz	XNDNWGIUNQGUJJ-IKGGRYGDSA-N	1	0	363.502	1.417	20	30		FDEDRO
CC[N@H+](CCNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CC1	ZINC000192325480	178109479	/nfs/dbraw/zinc/10/94/79/178109479.db2.gz	QZWOQLQIQIESGV-SFHVURJKSA-N	1	0	369.469	1.443	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2CN2CCOCC2)cc1	ZINC000245795330	178380975	/nfs/dbraw/zinc/38/09/75/178380975.db2.gz	FXPJMNDAMTUVEI-OALUTQOASA-N	1	0	359.470	1.485	20	30		FDEDRO
CS(=O)(=O)NCC1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1	ZINC000510191596	538953577	/nfs/dbraw/zinc/95/35/77/538953577.db2.gz	IQUKMMZCHUGTNQ-UHFFFAOYSA-N	1	0	370.500	1.210	20	30		FDEDRO
C[C@@H]1C[C@H](CCNS(=O)(=O)N(C)CCC#N)C[N@@H+]1Cc1ccccc1	ZINC000513078422	538985213	/nfs/dbraw/zinc/98/52/13/538985213.db2.gz	ZXMKOEASSPAFDL-AEFFLSMTSA-N	1	0	364.515	1.967	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CCc1ccc(C#N)cc1	ZINC000513440399	538996040	/nfs/dbraw/zinc/99/60/40/538996040.db2.gz	RBPJYFUBDNDTRN-SFHVURJKSA-N	1	0	356.470	1.550	20	30		FDEDRO
N#Cc1cnn2cc(CNCC3([NH+]4CCCCC4)CCOCC3)cnc12	ZINC000514604404	539014620	/nfs/dbraw/zinc/01/46/20/539014620.db2.gz	XZIOJVCCBLEQPP-UHFFFAOYSA-N	1	0	354.458	1.726	20	30		FDEDRO
COC[C@@](C)(CCO)[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000267938745	674038244	/nfs/dbraw/zinc/03/82/44/674038244.db2.gz	YRGFNFORGUDJBL-QGZVFWFLSA-N	1	0	353.850	1.964	20	30		FDEDRO
CCOc1ccccc1[C@H](CC(=O)NC1(C#N)CC[NH+](C)CC1)NC(C)=O	ZINC000517581510	539372431	/nfs/dbraw/zinc/37/24/31/539372431.db2.gz	RGGORVBENSDFFW-KRWDZBQOSA-N	1	0	372.469	1.757	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000518254715	539403262	/nfs/dbraw/zinc/40/32/62/539403262.db2.gz	HWRNEOHMWXQMBN-PKOBYXMFSA-N	1	0	373.497	1.674	20	30		FDEDRO
CC1(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC[NH2+]CC1	ZINC000519119946	539467036	/nfs/dbraw/zinc/46/70/36/539467036.db2.gz	AWPDJUYBFHDDKW-QGZVFWFLSA-N	1	0	369.469	1.348	20	30		FDEDRO
CCN1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc2)CC1	ZINC000519647280	539495631	/nfs/dbraw/zinc/49/56/31/539495631.db2.gz	SDBTYIWDQDKRKT-SFHVURJKSA-N	1	0	371.485	1.353	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000522010455	539531869	/nfs/dbraw/zinc/53/18/69/539531869.db2.gz	RNGIJMQCHLVRTJ-DOMZBBRYSA-N	1	0	370.375	1.278	20	30		FDEDRO
Cn1cccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1=O	ZINC000264114021	179030060	/nfs/dbraw/zinc/03/00/60/179030060.db2.gz	POMXHXRNQCBTEY-UHFFFAOYSA-N	1	0	350.422	1.605	20	30		FDEDRO
COCCN(CC[NH+](C)C)C(=O)CCCOc1ccc(C#N)cc1OC	ZINC000264211334	179050850	/nfs/dbraw/zinc/05/08/50/179050850.db2.gz	UCKOGQNCSXLBJP-UHFFFAOYSA-N	1	0	363.458	1.762	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)c2cc(I)c[nH]2)CC1	ZINC000522387944	539563259	/nfs/dbraw/zinc/56/32/59/539563259.db2.gz	NIXGLUFXUYGEMC-UHFFFAOYSA-N	1	0	358.183	1.337	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000265502099	179392892	/nfs/dbraw/zinc/39/28/92/179392892.db2.gz	FWJCMSOVOVUZSN-GFCCVEGCSA-N	1	0	353.373	1.527	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000268120026	180002144	/nfs/dbraw/zinc/00/21/44/180002144.db2.gz	FTSWDKZGGWPTGU-RHSMWYFYSA-N	1	0	354.458	1.268	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000268140451	180006638	/nfs/dbraw/zinc/00/66/38/180006638.db2.gz	KERJSEDIUQNHCR-YOEHRIQHSA-N	1	0	354.458	1.268	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C	ZINC000268191212	180020518	/nfs/dbraw/zinc/02/05/18/180020518.db2.gz	PQVBQLDJQQQJQX-LRDDRELGSA-N	1	0	356.426	1.494	20	30		FDEDRO
C[C@H]1COCCN1C1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1	ZINC000528511883	539764183	/nfs/dbraw/zinc/76/41/83/539764183.db2.gz	WQKGKFPDBVMHEV-QFBILLFUSA-N	1	0	359.470	1.483	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(c3nccc(C#N)c3[N+](=O)[O-])CC2)CC1	ZINC000269315828	180273109	/nfs/dbraw/zinc/27/31/09/180273109.db2.gz	HKVMYVJVDICERT-UHFFFAOYSA-N	1	0	358.446	1.856	20	30		FDEDRO
CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000269705112	180366559	/nfs/dbraw/zinc/36/65/59/180366559.db2.gz	LWRRPCNXSCPROB-UHFFFAOYSA-N	1	0	370.906	1.470	20	30		FDEDRO
COc1ccc(CN2CC[C@@H]2C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1	ZINC000530130346	539889210	/nfs/dbraw/zinc/88/92/10/539889210.db2.gz	QCRHTYSIWZDFJH-UYAOXDASSA-N	1	0	364.449	1.957	20	30		FDEDRO
Cn1ncc(C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c1C#N	ZINC000530286900	539931883	/nfs/dbraw/zinc/93/18/83/539931883.db2.gz	RGTKQNFBICZPMH-KRWDZBQOSA-N	1	0	352.442	1.010	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)NCCC3CC[NH+](C)CC3)CC2)c1C#N	ZINC000530408408	539963483	/nfs/dbraw/zinc/96/34/83/539963483.db2.gz	RCQBIKNGWYJEAV-UHFFFAOYSA-N	1	0	373.505	1.164	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2nnc(C(C)(C)C)s2)CC1	ZINC000268132983	674084715	/nfs/dbraw/zinc/08/47/15/674084715.db2.gz	AYYLUNFNUZEIRU-UHFFFAOYSA-N	1	0	368.507	1.861	20	30		FDEDRO
Cc1ccccc1C[N@@H+]1CCCN(C(=O)Cn2cccc(C#N)c2=O)CC1	ZINC000274318641	181069632	/nfs/dbraw/zinc/06/96/32/181069632.db2.gz	HVHJRGWYRIPKOJ-UHFFFAOYSA-N	1	0	364.449	1.763	20	30		FDEDRO
CC[N@H+](CCO)CCNC(=O)Nc1cc(C#N)ccc1OCCOC	ZINC000274422414	181090335	/nfs/dbraw/zinc/09/03/35/181090335.db2.gz	OMQADEIVBZTCCM-UHFFFAOYSA-N	1	0	350.419	1.019	20	30		FDEDRO
C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@H]1CCS(=O)(=O)C1	ZINC000533291744	540226273	/nfs/dbraw/zinc/22/62/73/540226273.db2.gz	BRBNEIALNBYFLB-GFCCVEGCSA-N	1	0	369.874	1.907	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)n(CCC#N)n1	ZINC000533318553	540231640	/nfs/dbraw/zinc/23/16/40/540231640.db2.gz	QPVFZHGUQSOCCC-AUUYWEPGSA-N	1	0	374.489	1.670	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C	ZINC000275269237	181275601	/nfs/dbraw/zinc/27/56/01/181275601.db2.gz	SSOHQTIVVYWYSF-QWHCGFSZSA-N	1	0	360.458	1.122	20	30		FDEDRO
COC(=O)CC[N@H+](CCC(=O)Nc1ccccc1C#N)C[C@@H]1CCCO1	ZINC000533435970	540247113	/nfs/dbraw/zinc/24/71/13/540247113.db2.gz	DVLNJQXIFBDKHK-INIZCTEOSA-N	1	0	359.426	1.931	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)n(CCC#N)n1	ZINC000533455831	540250126	/nfs/dbraw/zinc/25/01/26/540250126.db2.gz	JBRVAXXEASSEKA-DZGCQCFKSA-N	1	0	360.462	1.280	20	30		FDEDRO
COC[C@@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1	ZINC000537248995	540706502	/nfs/dbraw/zinc/70/65/02/540706502.db2.gz	NYEFEPQEFJXAFQ-CVEARBPZSA-N	1	0	362.499	1.425	20	30		FDEDRO
C=CC[C@@H](CO)CNC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1	ZINC000538210148	540825316	/nfs/dbraw/zinc/82/53/16/540825316.db2.gz	CZQCQVJIKWYMQU-MRXNPFEDSA-N	1	0	361.486	1.627	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NCc1cccnc1N1CC[NH+](C)CC1	ZINC000538238813	540830678	/nfs/dbraw/zinc/83/06/78/540830678.db2.gz	HMJFQEAJOPIADA-UHFFFAOYSA-N	1	0	367.453	1.723	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1	ZINC000538556869	540868211	/nfs/dbraw/zinc/86/82/11/540868211.db2.gz	GNMXFNWNACLYTL-SJLPKXTDSA-N	1	0	358.486	1.889	20	30		FDEDRO
CC[N@H+](CCC1CCN(S(=O)(=O)N(C)CCC#N)CC1)CC1CC1	ZINC000538850978	540900454	/nfs/dbraw/zinc/90/04/54/540900454.db2.gz	NHCJRCCEYGPFRZ-UHFFFAOYSA-N	1	0	356.536	1.911	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC1(C)C)C2	ZINC001112510706	781948657	/nfs/dbraw/zinc/94/86/57/781948657.db2.gz	AOTWXYCJWZXYQX-FIKGOQFSSA-N	1	0	359.514	1.780	20	30		FDEDRO
CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CCC(CC#N)CC2)CC1	ZINC000541042058	541140947	/nfs/dbraw/zinc/14/09/47/541140947.db2.gz	UCSUALXIXCEZHO-UHFFFAOYSA-N	1	0	372.473	1.631	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CCCC(=O)NCCC[NH+]1CCC(O)CC1	ZINC000275688093	181387849	/nfs/dbraw/zinc/38/78/49/181387849.db2.gz	INFPRMDYRKVRFA-UHFFFAOYSA-N	1	0	372.469	1.630	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CCC(CC#N)CC2)c1	ZINC000542845495	541487261	/nfs/dbraw/zinc/48/72/61/541487261.db2.gz	DYKMQOZWNNLZRJ-UHFFFAOYSA-N	1	0	371.485	1.813	20	30		FDEDRO
Cc1ccccc1[C@@H](CO)[NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000542910752	541499934	/nfs/dbraw/zinc/49/99/34/541499934.db2.gz	ZAMPAWPIIBXOFB-RTBURBONSA-N	1	0	358.486	1.310	20	30		FDEDRO
Cc1ccccc1[C@@H](CO)[NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000542910749	541500572	/nfs/dbraw/zinc/50/05/72/541500572.db2.gz	ZAMPAWPIIBXOFB-MOPGFXCFSA-N	1	0	358.486	1.310	20	30		FDEDRO
C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)n1cnc(C#N)n1	ZINC000543069036	541529001	/nfs/dbraw/zinc/52/90/01/541529001.db2.gz	YHKUHPXKBGMHMI-AWEZNQCLSA-N	1	0	351.414	1.173	20	30		FDEDRO
C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1	ZINC000545155030	541883684	/nfs/dbraw/zinc/88/36/84/541883684.db2.gz	CVAHYENTNNPXSY-LJQANCHMSA-N	1	0	355.394	1.527	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCc2cccc(C#N)c2)C1	ZINC000283501057	182199420	/nfs/dbraw/zinc/19/94/20/182199420.db2.gz	ASKBPVHUUUWYFP-SFHVURJKSA-N	1	0	356.470	1.659	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccc(C#N)cc1	ZINC000283942645	182324212	/nfs/dbraw/zinc/32/42/12/182324212.db2.gz	FQGJOJYVWWFMPB-UGSOOPFHSA-N	1	0	360.483	1.289	20	30		FDEDRO
COc1ccc([C@H](CNC(=O)[C@@H](C)n2cnc(C#N)n2)[NH+]2CCCC2)cc1	ZINC000545967148	542060709	/nfs/dbraw/zinc/06/07/09/542060709.db2.gz	WKVQZSOUOCGPDD-PBHICJAKSA-N	1	0	368.441	1.673	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2cccc(C#N)c2)CC1	ZINC000286209078	183014333	/nfs/dbraw/zinc/01/43/33/183014333.db2.gz	GFFJNDRHJKYNPV-UHFFFAOYSA-N	1	0	372.469	1.134	20	30		FDEDRO
C[C@@H](NC(=O)NCCn1cnc(C#N)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000286589277	183104548	/nfs/dbraw/zinc/10/45/48/183104548.db2.gz	APFJEMFNBPGYTP-NVXWUHKLSA-N	1	0	367.457	1.360	20	30		FDEDRO
CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCn1cnc(C#N)n1	ZINC000286684865	183128653	/nfs/dbraw/zinc/12/86/53/183128653.db2.gz	CQKALYXJTKILHA-QGZVFWFLSA-N	1	0	367.457	1.313	20	30		FDEDRO
Cc1ccc(NC(=O)C(=O)NC[C@H](C)C#N)cc1NC(=O)CC[NH+](C)C	ZINC000546646179	542189997	/nfs/dbraw/zinc/18/99/97/542189997.db2.gz	DCQONFIQYPFFQS-GFCCVEGCSA-N	1	0	359.430	1.100	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)n1	ZINC000286970521	183183387	/nfs/dbraw/zinc/18/33/87/183183387.db2.gz	DUYQSRKCDVRLNL-CQSZACIVSA-N	1	0	357.418	1.269	20	30		FDEDRO
C[C@H](C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1)n1cnc(C#N)n1	ZINC000546676469	542197109	/nfs/dbraw/zinc/19/71/09/542197109.db2.gz	XGHDQOHXYYMAER-OAHLLOKOSA-N	1	0	367.457	1.271	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2cc(C#N)ccn2)c1	ZINC000287708731	183363013	/nfs/dbraw/zinc/36/30/13/183363013.db2.gz	MWEUHIOYMLHZPW-UHFFFAOYSA-N	1	0	351.410	1.175	20	30		FDEDRO
Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C#N)cn2)[NH+](C)C)cc1	ZINC000293130807	183972369	/nfs/dbraw/zinc/97/23/69/183972369.db2.gz	RBRJKWDOSNWZGK-MRXNPFEDSA-N	1	0	351.410	1.619	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN([C@@H](C)CC)CC1	ZINC000296110983	184131168	/nfs/dbraw/zinc/13/11/68/184131168.db2.gz	HLYJELQSJDSCSH-AWEZNQCLSA-N	1	0	358.442	1.838	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)NC2CC[NH+](C3CCC3)CC2)CC1	ZINC000296628629	184185247	/nfs/dbraw/zinc/18/52/47/184185247.db2.gz	CYQDCSXQIXYELK-UHFFFAOYSA-N	1	0	368.485	1.802	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1	ZINC000297998039	184371512	/nfs/dbraw/zinc/37/15/12/184371512.db2.gz	JTKQBSPNDCPWIN-UHFFFAOYSA-N	1	0	368.437	1.700	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](CNC(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1	ZINC000547318615	542311048	/nfs/dbraw/zinc/31/10/48/542311048.db2.gz	AUJGDUDJNPOUOV-HNNXBMFYSA-N	1	0	353.430	1.911	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1	ZINC000547415459	542335372	/nfs/dbraw/zinc/33/53/72/542335372.db2.gz	HPSZLTXFWHTJEA-UHFFFAOYSA-N	1	0	358.442	1.696	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)NCCCC[NH+]1CCC(C(N)=O)CC1	ZINC000547418098	542335989	/nfs/dbraw/zinc/33/59/89/542335989.db2.gz	YARFBUYQBSPEKO-UHFFFAOYSA-N	1	0	373.457	1.666	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN(C(=O)N(C)C)CC1)C(C)C	ZINC000548862836	542793639	/nfs/dbraw/zinc/79/36/39/542793639.db2.gz	WKCKXMYBXVDYJB-QGZVFWFLSA-N	1	0	365.522	1.694	20	30		FDEDRO
C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NCC#Cc2cccc(F)c2)CC1	ZINC000549208014	542852404	/nfs/dbraw/zinc/85/24/04/542852404.db2.gz	QZOJPVHEIMKNFJ-INIZCTEOSA-N	1	0	361.461	1.911	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)CC1	ZINC000550433970	543100879	/nfs/dbraw/zinc/10/08/79/543100879.db2.gz	ZWURSAQVFUPZHH-AZUAARDMSA-N	1	0	364.534	1.409	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1C#N	ZINC000551370230	543275663	/nfs/dbraw/zinc/27/56/63/543275663.db2.gz	GRRGAYQLURQLLL-DHSIGJKJSA-N	1	0	354.454	1.994	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)n(CCC#N)n1	ZINC000551373251	543275908	/nfs/dbraw/zinc/27/59/08/543275908.db2.gz	ZVWOUJOMQMKTKL-IJEWVQPXSA-N	1	0	372.473	1.232	20	30		FDEDRO
Cn1ncc(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1C#N	ZINC000551681461	543321359	/nfs/dbraw/zinc/32/13/59/543321359.db2.gz	QIAWTLZTYHOKMF-UHFFFAOYSA-N	1	0	353.426	1.695	20	30		FDEDRO
C[NH+](C)[C@H]1CN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)C[C@@H]1O	ZINC000552439167	543466982	/nfs/dbraw/zinc/46/69/82/543466982.db2.gz	BSZLWEWSONJLLZ-IRXDYDNUSA-N	1	0	353.426	1.211	20	30		FDEDRO
C=CC[C@@H]1N(C(=O)C(=O)NC[C@H]2CCC[N@H+]2CCOC)CCCC1(C)C	ZINC000552939307	543539017	/nfs/dbraw/zinc/53/90/17/543539017.db2.gz	GCYAHJKRCAWPAC-SJORKVTESA-N	1	0	365.518	1.807	20	30		FDEDRO
C=CC[C@H]1N(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2CCOC)CCCC1(C)C	ZINC000552939304	543539289	/nfs/dbraw/zinc/53/92/89/543539289.db2.gz	GCYAHJKRCAWPAC-DLBZAZTESA-N	1	0	365.518	1.807	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](C)CN1CC[NH+](C)CC1	ZINC000173454393	258299589	/nfs/dbraw/zinc/29/95/89/258299589.db2.gz	WZYBTJPBVVBFAZ-CQSZACIVSA-N	1	0	350.488	1.029	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C	ZINC000072639464	172045750	/nfs/dbraw/zinc/04/57/50/172045750.db2.gz	IIPVKWDZHWCWBZ-CVEARBPZSA-N	1	0	370.453	1.979	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC(=O)N(C2CC2)C1	ZINC000079042250	172157917	/nfs/dbraw/zinc/15/79/17/172157917.db2.gz	RQYLPUZUZFEQEW-KRWDZBQOSA-N	1	0	369.469	1.395	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@@H](N2CC[C@H](C[NH+]3CCOCC3)C2)C1=O	ZINC000083212975	172202797	/nfs/dbraw/zinc/20/27/97/172202797.db2.gz	XDNURKRBIZZDLR-GDBMZVCRSA-N	1	0	360.483	1.379	20	30		FDEDRO
C[NH+]1CCC(CCNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1	ZINC000091237172	172280378	/nfs/dbraw/zinc/28/03/78/172280378.db2.gz	MCSKTQJKVLJMIF-UHFFFAOYSA-N	1	0	360.462	1.296	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)/C=C/c2cccc(C#N)c2)CC1	ZINC000103449082	172365483	/nfs/dbraw/zinc/36/54/83/172365483.db2.gz	UGRPMRSANPGGNN-CMDGGOBGSA-N	1	0	354.454	1.584	20	30		FDEDRO
Cn1cc(C(=O)NCC2CC[NH+](CCOc3ccc(C#N)cc3)CC2)cn1	ZINC000104091929	172374904	/nfs/dbraw/zinc/37/49/04/172374904.db2.gz	CAXSWMYMZFGQJY-UHFFFAOYSA-N	1	0	367.453	1.813	20	30		FDEDRO
C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)CC(C)(C)CN1CCOCC1	ZINC000123830113	172947887	/nfs/dbraw/zinc/94/78/87/172947887.db2.gz	TXOLJWVXWJUZIC-GOSISDBHSA-N	1	0	361.486	1.588	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CCN2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1	ZINC000125485803	173007672	/nfs/dbraw/zinc/00/76/72/173007672.db2.gz	UHKSNFOZNNRZLL-NVXWUHKLSA-N	1	0	361.467	1.323	20	30		FDEDRO
CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000125554147	173011140	/nfs/dbraw/zinc/01/11/40/173011140.db2.gz	KELRJXHEUSVBTI-UHFFFAOYSA-N	1	0	372.441	1.094	20	30		FDEDRO
N#Cc1ccccc1S(=O)(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000127534688	173081282	/nfs/dbraw/zinc/08/12/82/173081282.db2.gz	XTVSIXYQOGBDPN-SJORKVTESA-N	1	0	363.483	1.604	20	30		FDEDRO
CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000134169758	173319909	/nfs/dbraw/zinc/31/99/09/173319909.db2.gz	DFDPAQSSPPIUAW-CYBMUJFWSA-N	1	0	360.462	1.248	20	30		FDEDRO
COc1ccc(CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc1C#N	ZINC000134979495	173337391	/nfs/dbraw/zinc/33/73/91/173337391.db2.gz	VKUCIYKJIDTWOJ-UHFFFAOYSA-N	1	0	356.470	1.697	20	30		FDEDRO
C[C@@H]1OCC[C@H]1S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000135550446	173348503	/nfs/dbraw/zinc/34/85/03/173348503.db2.gz	LJDTVPIZDHJGME-WMLDXEAASA-N	1	0	351.472	1.429	20	30		FDEDRO
C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000161417055	173740676	/nfs/dbraw/zinc/74/06/76/173740676.db2.gz	CCBVDWLSAKWCAT-ZDUSSCGKSA-N	1	0	365.377	1.168	20	30		FDEDRO
C[N@@H+]1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)C2(CCCCC2)C1	ZINC000176242533	174061054	/nfs/dbraw/zinc/06/10/54/174061054.db2.gz	NPBYONJFSSNPQD-UHFFFAOYSA-N	1	0	354.454	1.765	20	30		FDEDRO
C[NH+](C)CCNC(=O)C1CCN(C(=O)c2c(F)cc(C#N)cc2F)CC1	ZINC000176376175	174067763	/nfs/dbraw/zinc/06/77/63/174067763.db2.gz	MVQBOFYHXLTRFU-UHFFFAOYSA-N	1	0	364.396	1.366	20	30		FDEDRO
C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1	ZINC000177530486	174139293	/nfs/dbraw/zinc/13/92/93/174139293.db2.gz	CFTCCHXUPDWBJN-GFCCVEGCSA-N	1	0	366.368	1.651	20	30		FDEDRO
C[NH+](C)CC(=O)N1CCN(Cc2ccc(C#N)cc2Br)CC1	ZINC000180967932	174198712	/nfs/dbraw/zinc/19/87/12/174198712.db2.gz	VPZBUVCULHKNDY-UHFFFAOYSA-N	1	0	365.275	1.527	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC)C1	ZINC000173734192	258308669	/nfs/dbraw/zinc/30/86/69/258308669.db2.gz	VSNCRPJYLSFNQE-OAHLLOKOSA-N	1	0	358.442	1.696	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)NCc1ccnc(OCC[NH+](C)C)c1	ZINC000179318902	258348518	/nfs/dbraw/zinc/34/85/18/258348518.db2.gz	LXEYIONLTPPRDM-UHFFFAOYSA-N	1	0	374.466	1.681	20	30		FDEDRO
CC[NH+]1CCN(CCNS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1	ZINC000193205884	258392986	/nfs/dbraw/zinc/39/29/86/258392986.db2.gz	IMEFEFQDOAWPBQ-UHFFFAOYSA-N	1	0	356.879	1.127	20	30		FDEDRO
COc1cc(OC)c2ncc(C#N)c(N3CCC([NH2+]CCO)CC3)c2c1	ZINC000281209820	258647652	/nfs/dbraw/zinc/64/76/52/258647652.db2.gz	QDFBSLQIAAZHMJ-UHFFFAOYSA-N	1	0	356.426	1.674	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2sc(C)nc2C)CC1	ZINC000553329269	543610874	/nfs/dbraw/zinc/61/08/74/543610874.db2.gz	CJXHMEGVFPRGQV-UHFFFAOYSA-N	1	0	350.488	1.185	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)CC1	ZINC000553397670	543626583	/nfs/dbraw/zinc/62/65/83/543626583.db2.gz	WUINQKRABXJBGD-BRWVUGGUSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCOC[C@H]2CC(C)C)CC1	ZINC000553372289	543621329	/nfs/dbraw/zinc/62/13/29/543621329.db2.gz	MVULJYWALXTVBM-QGZVFWFLSA-N	1	0	351.491	1.417	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NCCn1cnc(C#N)n1	ZINC000553953947	543723873	/nfs/dbraw/zinc/72/38/73/543723873.db2.gz	XOPUFJZMSWXVIJ-HZPDHXFCSA-N	1	0	367.457	1.454	20	30		FDEDRO
C[NH+](C)Cc1ccc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1	ZINC000554967908	543898170	/nfs/dbraw/zinc/89/81/70/543898170.db2.gz	FSYUPHVSRXQSRV-UHFFFAOYSA-N	1	0	372.450	1.537	20	30		FDEDRO
N#Cc1cscc1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000555883540	544046793	/nfs/dbraw/zinc/04/67/93/544046793.db2.gz	SJKBHLVBLSFVPT-UHFFFAOYSA-N	1	0	370.482	1.742	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCCO[C@@H](C)C1)C(C)C	ZINC000556206219	544117528	/nfs/dbraw/zinc/11/75/28/544117528.db2.gz	JVSBDNVKLWDJJQ-DLBZAZTESA-N	1	0	351.491	1.439	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCO[C@@H](C)[C@@H]1C)C(C)C	ZINC000556208701	544117983	/nfs/dbraw/zinc/11/79/83/544117983.db2.gz	VSCRLVCARDRUCM-YESZJQIVSA-N	1	0	351.491	1.437	20	30		FDEDRO
C=CC[C@H]1N(C(=O)C(=O)NCCC[N@@H+](C)CCOC)CCCC1(C)C	ZINC000556270542	544125650	/nfs/dbraw/zinc/12/56/50/544125650.db2.gz	LNKBYISQOATZHX-MRXNPFEDSA-N	1	0	353.507	1.664	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([N@H+]3C[C@H](O)C[C@H]3[C@@H]3CCCOC3)C2=O)cc1	ZINC000556282794	544126516	/nfs/dbraw/zinc/12/65/16/544126516.db2.gz	JMHFVCUTPHWGEF-LMCOJAPRSA-N	1	0	369.465	1.915	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1	ZINC000556344011	544134119	/nfs/dbraw/zinc/13/41/19/544134119.db2.gz	PGPPRNCZZWPUMS-SJORKVTESA-N	1	0	373.501	1.490	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000556363442	544136732	/nfs/dbraw/zinc/13/67/32/544136732.db2.gz	WJLJHEIIQXIQHT-OALUTQOASA-N	1	0	371.481	1.953	20	30		FDEDRO
C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1CC[NH+](C2CCC2)CC1	ZINC000556440201	544144460	/nfs/dbraw/zinc/14/44/60/544144460.db2.gz	VSLOIGFINGPYFI-UHFFFAOYSA-N	1	0	356.478	1.633	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1	ZINC000556482750	544147739	/nfs/dbraw/zinc/14/77/39/544147739.db2.gz	JTPSCXYAGXDPKC-DDUZABMNSA-N	1	0	354.454	1.994	20	30		FDEDRO
C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)C[C@@H](C)C1	ZINC000556488607	544148420	/nfs/dbraw/zinc/14/84/20/544148420.db2.gz	FBSDQSSTHOBRGO-OGHNNQOOSA-N	1	0	358.417	1.825	20	30		FDEDRO
N#Cc1cccc(C2([NH2+]CC(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)c1	ZINC000556512356	544151098	/nfs/dbraw/zinc/15/10/98/544151098.db2.gz	NINAXTOMKULQLP-UHFFFAOYSA-N	1	0	370.434	1.423	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1	ZINC000556518303	544151859	/nfs/dbraw/zinc/15/18/59/544151859.db2.gz	ROUJSGCMSNRMDP-DIECFANBSA-N	1	0	360.458	1.838	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(Cc2ccccc2)[C@@H](CC)CO)CC1	ZINC000557733342	544338089	/nfs/dbraw/zinc/33/80/89/544338089.db2.gz	SBJQCMSKUUMJCO-IBGZPJMESA-N	1	0	373.497	1.553	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2C[C@H](C)O)CC1	ZINC000557756963	544342740	/nfs/dbraw/zinc/34/27/40/544342740.db2.gz	WMRGYXRSMNNTIB-RDJZCZTQSA-N	1	0	351.491	1.295	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC(c3c[nH]cn3)CC2)CC1	ZINC000557766632	544343461	/nfs/dbraw/zinc/34/34/61/544343461.db2.gz	GVQPXDIUVIKGSL-UHFFFAOYSA-N	1	0	359.474	1.272	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCc3ccccc3[C@@H]2CO)CC1	ZINC000557770174	544344557	/nfs/dbraw/zinc/34/45/57/544344557.db2.gz	WUQZBEKAYPKKQL-IBGZPJMESA-N	1	0	371.481	1.261	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)o1	ZINC000557823954	544350541	/nfs/dbraw/zinc/35/05/41/544350541.db2.gz	PQWRLFGTILIXOG-KRWDZBQOSA-N	1	0	361.423	1.067	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]CCOc2ccc3c(c2)OCO3)cc1	ZINC000558752527	544525443	/nfs/dbraw/zinc/52/54/43/544525443.db2.gz	IJMBIWBGPRZSNY-HNNXBMFYSA-N	1	0	356.378	1.695	20	30		FDEDRO
C[N@H+](CCNC(=O)C(=O)Nc1sccc1C#N)Cc1ccc(F)cc1	ZINC000559657602	544758484	/nfs/dbraw/zinc/75/84/84/544758484.db2.gz	IZCKNYJAPANYLH-UHFFFAOYSA-N	1	0	360.414	1.946	20	30		FDEDRO
N#Cc1ccc(CN2CCC[N@@H+](C[C@H]3CCCS(=O)(=O)C3)CC2)cc1	ZINC000560157063	544900046	/nfs/dbraw/zinc/90/00/46/544900046.db2.gz	IJRLRXRHLOOUQD-LJQANCHMSA-N	1	0	361.511	1.891	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCCCCC[NH+]2CCCC2)n(CCC#N)n1	ZINC000560325288	544955613	/nfs/dbraw/zinc/95/56/13/544955613.db2.gz	PUSJOHHTYCWCBU-UHFFFAOYSA-N	1	0	360.462	1.426	20	30		FDEDRO
N#Cc1cc(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cnc1C(F)(F)F	ZINC000293548405	258883807	/nfs/dbraw/zinc/88/38/07/258883807.db2.gz	YNZCOICBVKTKRN-LBPRGKRZSA-N	1	0	369.347	1.042	20	30		FDEDRO
C[C@@H]1C[C@@H](C)C[NH+](CCCNc2ccc(S(N)(=O)=O)cc2C#N)C1	ZINC000301369325	259026372	/nfs/dbraw/zinc/02/63/72/259026372.db2.gz	OVZUCOBFAVBHKD-ZIAGYGMSSA-N	1	0	350.488	1.986	20	30		FDEDRO
Cn1c(NC(C)(C)C[N@H+](C)Cc2ccccc2)c(C#N)c(=O)n(C)c1=O	ZINC000301817916	259033991	/nfs/dbraw/zinc/03/39/91/259033991.db2.gz	KJTLWYALEAGQIW-UHFFFAOYSA-N	1	0	355.442	1.278	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]21	ZINC000972086841	782036033	/nfs/dbraw/zinc/03/60/33/782036033.db2.gz	YVQIJUFIGOCQCO-WOJBJXKFSA-N	1	0	369.509	1.581	20	30		FDEDRO
C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C)C[C@H]1N1CCOCC1	ZINC000328699994	259054233	/nfs/dbraw/zinc/05/42/33/259054233.db2.gz	ILFWISAIIACRAF-RHSMWYFYSA-N	1	0	352.442	1.511	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C[C@H]1[NH+](C)C	ZINC000330601571	259153057	/nfs/dbraw/zinc/15/30/57/259153057.db2.gz	ZODRUEJGWRUSOQ-OLZOCXBDSA-N	1	0	370.456	1.133	20	30		FDEDRO
CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)c1cc(C#N)ccn1	ZINC000331706719	259214554	/nfs/dbraw/zinc/21/45/54/259214554.db2.gz	BDLWYQNSAITTBU-MAUKXSAKSA-N	1	0	352.442	1.842	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000331797111	259220245	/nfs/dbraw/zinc/22/02/45/259220245.db2.gz	LPVWJXIXIMKSOS-MRXNPFEDSA-N	1	0	355.442	1.542	20	30		FDEDRO
CC(C)(C)c1csc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1C#N	ZINC000332133761	259244300	/nfs/dbraw/zinc/24/43/00/259244300.db2.gz	KJNHSSISXBGODC-VXGBXAGGSA-N	1	0	360.483	1.924	20	30		FDEDRO
N#Cc1ccc([C@@H](C(N)=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)cc1	ZINC000332159714	259246177	/nfs/dbraw/zinc/24/61/77/259246177.db2.gz	YMCPKSLPTNKRDP-KRWDZBQOSA-N	1	0	358.442	1.294	20	30		FDEDRO
C[C@H]1C[C@H](N(C)C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC[N@@H+]1C	ZINC000332416006	259265168	/nfs/dbraw/zinc/26/51/68/259265168.db2.gz	UJTYREOSTXNXOB-SUMWQHHRSA-N	1	0	352.442	1.881	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(c3nnc4n3CCC4)CC2)cc1	ZINC000364084012	259713100	/nfs/dbraw/zinc/71/31/00/259713100.db2.gz	WXYQAUDJUJDTHC-KRWDZBQOSA-N	1	0	367.453	1.715	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)C2=O)cc1	ZINC000364980913	259802492	/nfs/dbraw/zinc/80/24/92/259802492.db2.gz	MGNNILCHNCILNZ-SLFFLAALSA-N	1	0	368.481	1.585	20	30		FDEDRO
N#Cc1cc(CN2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)ccc1F	ZINC000368419072	260180100	/nfs/dbraw/zinc/18/01/00/260180100.db2.gz	ZUCMJVXTIWIJPL-INIZCTEOSA-N	1	0	351.447	1.438	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCOCC4(CCC4)C3)CC2)o1	ZINC000368706848	260225337	/nfs/dbraw/zinc/22/53/37/260225337.db2.gz	IPFMPQHCVFCDCU-UHFFFAOYSA-N	1	0	373.457	1.006	20	30		FDEDRO
COC(=O)c1cn([C@@H]2CCN([C@H](C)C(=O)Nc3ccccc3C#N)C2)nn1	ZINC000368835140	260245415	/nfs/dbraw/zinc/24/54/15/260245415.db2.gz	PTGIKHLTDVJODL-TZMCWYRMSA-N	1	0	368.397	1.210	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000369276074	260329893	/nfs/dbraw/zinc/32/98/93/260329893.db2.gz	FGELPOLXTNKONJ-RDJZCZTQSA-N	1	0	356.470	1.610	20	30		FDEDRO
Cn1c(NC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)c(C#N)c(=O)n(C)c1=O	ZINC000369560623	260390732	/nfs/dbraw/zinc/39/07/32/260390732.db2.gz	IDUFSSVNYAMGDD-RISCZKNCSA-N	1	0	359.455	1.122	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1	ZINC000371922712	260789736	/nfs/dbraw/zinc/78/97/36/260789736.db2.gz	GQSIKVFIFTZRRO-MOPGFXCFSA-N	1	0	356.470	1.484	20	30		FDEDRO
Cc1oc(NC(=O)[C@@H](C)N2CCC[N@H+](CC(C)(C)O)CC2)c(C#N)c1C	ZINC000372555129	260886862	/nfs/dbraw/zinc/88/68/62/260886862.db2.gz	RFLRQZJRPDQZPJ-CQSZACIVSA-N	1	0	362.474	1.874	20	30		FDEDRO
COCOc1ccc(OC)cc1C[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000373483079	261013906	/nfs/dbraw/zinc/01/39/06/261013906.db2.gz	IFYYUFGHSOGVNP-UHFFFAOYSA-N	1	0	357.414	1.978	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[N@@H+]4CCC[C@@H]4C3)CC2)o1	ZINC000373480038	261013922	/nfs/dbraw/zinc/01/39/22/261013922.db2.gz	AUIAPODSIHDWDY-MRXNPFEDSA-N	1	0	357.458	1.768	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCC[N@@H+]3CCCOCC3)C2)n1	ZINC000373673791	261029428	/nfs/dbraw/zinc/02/94/28/261029428.db2.gz	ANYYEFCTAXODGK-GOSISDBHSA-N	1	0	371.485	1.317	20	30		FDEDRO
C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000373759008	261037813	/nfs/dbraw/zinc/03/78/13/261037813.db2.gz	SRYNFADIAZVXHK-KRWDZBQOSA-N	1	0	356.470	1.753	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)CC2)o1	ZINC000373767042	261038755	/nfs/dbraw/zinc/03/87/55/261038755.db2.gz	XRPQNZSPQDUYOS-MRXNPFEDSA-N	1	0	357.458	1.768	20	30		FDEDRO
N#Cc1cccc(CCNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1	ZINC000373984856	261061532	/nfs/dbraw/zinc/06/15/32/261061532.db2.gz	HALKVDNKHNEJNE-GOSISDBHSA-N	1	0	356.470	1.901	20	30		FDEDRO
Cc1oc(NC(=O)CN2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c(C#N)c1C	ZINC000374257523	261100245	/nfs/dbraw/zinc/10/02/45/261100245.db2.gz	FEHKVGMGCQACGV-CQSZACIVSA-N	1	0	373.501	1.807	20	30		FDEDRO
CN(C)S(=O)(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2sccc2C#N)C1	ZINC000375626919	261384735	/nfs/dbraw/zinc/38/47/35/261384735.db2.gz	ZOWRCIJCMJHTGV-ZDUSSCGKSA-N	1	0	370.500	1.304	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1	ZINC000376274570	261529533	/nfs/dbraw/zinc/52/95/33/261529533.db2.gz	OUZVIYBARKJRRB-KRWDZBQOSA-N	1	0	367.457	1.361	20	30		FDEDRO
N#Cc1cccc(C(=O)N2CC[C@@H](N3CCOCC3)C2)c1Br	ZINC000408453739	262110590	/nfs/dbraw/zinc/11/05/90/262110590.db2.gz	RWLONBWOMUWKIO-CYBMUJFWSA-N	1	0	364.243	1.867	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)n1cnc(C#N)n1	ZINC000409608963	262129273	/nfs/dbraw/zinc/12/92/73/262129273.db2.gz	TVCVESDWXKHTEO-AWEZNQCLSA-N	1	0	370.482	1.941	20	30		FDEDRO
COCC[N@H+](C)CCCC1CCN(C(=O)[C@H](C)n2cnc(C#N)n2)CC1	ZINC000409872621	262143110	/nfs/dbraw/zinc/14/31/10/262143110.db2.gz	BMGYDBNCFWJROU-HNNXBMFYSA-N	1	0	362.478	1.308	20	30		FDEDRO
C[C@H](C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)n1cnc(C#N)n1	ZINC000409957241	262147682	/nfs/dbraw/zinc/14/76/82/262147682.db2.gz	PTPSONHKBWNXFO-BEFAXECRSA-N	1	0	352.442	1.882	20	30		FDEDRO
COC[C@@H](O)C[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1	ZINC000926372822	782077640	/nfs/dbraw/zinc/07/76/40/782077640.db2.gz	JOSIFQCZENSOOR-GJZGRUSLSA-N	1	0	355.479	1.903	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1ccc(NC(=O)CNc2ccc(C#N)cn2)cc1	ZINC000529816612	490877957	/nfs/dbraw/zinc/87/79/57/490877957.db2.gz	JPPIBQRVCZYOBR-UHFFFAOYSA-N	1	0	366.425	1.295	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000544126305	490958160	/nfs/dbraw/zinc/95/81/60/490958160.db2.gz	BJHUTMZEHJUZMA-LBPRGKRZSA-N	1	0	374.401	1.076	20	30		FDEDRO
Cc1cc(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)ncc1C#N	ZINC000603115644	492015272	/nfs/dbraw/zinc/01/52/72/492015272.db2.gz	DXKNHWREQYIDCG-UHFFFAOYSA-N	1	0	356.430	1.034	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1	ZINC000024803347	519016443	/nfs/dbraw/zinc/01/64/43/519016443.db2.gz	STOLJDWOTBJNNN-OAHLLOKOSA-N	1	0	365.499	1.755	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+](CCC(N)=O)Cc2ccccc2)cc1	ZINC000025302961	519051607	/nfs/dbraw/zinc/05/16/07/519051607.db2.gz	CPXSXCYRSLFFBF-GOSISDBHSA-N	1	0	353.422	1.676	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H](CN(C)C([O-])=[NH+]CCn2ccnc2)[C@@H]1c1cnn(C)c1	ZINC000328616473	521614578	/nfs/dbraw/zinc/61/45/78/521614578.db2.gz	BSXXZSFWCJAJET-FUHWJXTLSA-N	1	0	373.505	1.936	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)cc1	ZINC000070011331	521994820	/nfs/dbraw/zinc/99/48/20/521994820.db2.gz	YRJUSOJXCVOTDQ-UXHICEINSA-N	1	0	373.497	1.537	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)C1	ZINC000072637234	522342653	/nfs/dbraw/zinc/34/26/53/522342653.db2.gz	OIRHWLLNGDTFNX-GOSISDBHSA-N	1	0	366.469	1.820	20	30		FDEDRO
CC[NH+]1CCN(CCNC(=O)CCCOc2ccc(C#N)cc2OC)CC1	ZINC000046782914	522352588	/nfs/dbraw/zinc/35/25/88/522352588.db2.gz	ZPHSLNDDUSOYFU-UHFFFAOYSA-N	1	0	374.485	1.480	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCC[N@H+]2CCC[C@H](C)C2)c1	ZINC000046862045	522371287	/nfs/dbraw/zinc/37/12/87/522371287.db2.gz	BOSUCCMXTMAZDN-HNNXBMFYSA-N	1	0	365.499	1.613	20	30		FDEDRO
CC[C@H](CO)[NH+]1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1	ZINC000072798550	522385286	/nfs/dbraw/zinc/38/52/86/522385286.db2.gz	KEKDXLXPGOYSSP-QZTJIDSGSA-N	1	0	358.486	1.710	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)cc1	ZINC000047980857	522641240	/nfs/dbraw/zinc/64/12/40/522641240.db2.gz	NGIIYIGMNZLCOK-ZWKOTPCHSA-N	1	0	357.454	1.536	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CCc1nc2ccccc2c(=O)[nH]1	ZINC000064362037	522709020	/nfs/dbraw/zinc/70/90/20/522709020.db2.gz	JSTROXYWTFBMAB-UHFFFAOYSA-N	1	0	355.442	1.550	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(N2C(=O)CCC2=O)cc1	ZINC000064361906	522709134	/nfs/dbraw/zinc/70/91/34/522709134.db2.gz	LEBRPDYSGSUHDK-UHFFFAOYSA-N	1	0	356.426	1.648	20	30		FDEDRO
CC(C)OCC[NH+]1CCN(C[C@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000074798525	522837358	/nfs/dbraw/zinc/83/73/58/522837358.db2.gz	BBMVKYZPJSWNCO-IBGZPJMESA-N	1	0	361.486	1.535	20	30		FDEDRO
CCN1CCN(C(=O)CC2CC[NH+](CCCSCC#N)CC2)CC1	ZINC000074990574	522864009	/nfs/dbraw/zinc/86/40/09/522864009.db2.gz	NVGIPBMZYYXKGP-UHFFFAOYSA-N	1	0	352.548	1.899	20	30		FDEDRO
C[NH+]=C(NC[C@@](C)(O)c1ccco1)N1CCN(C(=O)c2ccco2)CC1	ZINC000074992419	522865080	/nfs/dbraw/zinc/86/50/80/522865080.db2.gz	GUSXDAUAMLORTI-GOSISDBHSA-N	1	0	360.414	1.114	20	30		FDEDRO
Cn1c(NC2CC[NH+](CC3CCCCC3)CC2)c(C#N)c(=O)n(C)c1=O	ZINC000065946449	522923543	/nfs/dbraw/zinc/92/35/43/522923543.db2.gz	SZKVVGPUPDXFKD-UHFFFAOYSA-N	1	0	359.474	1.412	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)NCC[N@@H+](C)[C@@H](C)CC)cc1	ZINC000066126955	522961141	/nfs/dbraw/zinc/96/11/41/522961141.db2.gz	LFEMYXQJBUDLBN-AWEZNQCLSA-N	1	0	351.472	1.058	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000066240449	522994476	/nfs/dbraw/zinc/99/44/76/522994476.db2.gz	NKKWLNAZAKWCCH-CQSZACIVSA-N	1	0	352.442	1.930	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCCC[C@@H]1CN1CCOCC1	ZINC000075969127	523001386	/nfs/dbraw/zinc/00/13/86/523001386.db2.gz	JQIACFIGMWEVSU-LMMKCTJWSA-N	1	0	350.507	1.616	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1	ZINC000076281069	523063515	/nfs/dbraw/zinc/06/35/15/523063515.db2.gz	GORQXDPNTJKSCB-HNNXBMFYSA-N	1	0	359.401	1.473	20	30		FDEDRO
CCN1CC[NH+](CCCCNC(=O)[C@@H](C)Oc2ccccc2C#N)CC1	ZINC000076484250	523124087	/nfs/dbraw/zinc/12/40/87/523124087.db2.gz	JHBMBATTWWSUDP-QGZVFWFLSA-N	1	0	358.486	1.859	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)cc1	ZINC000052626076	523222486	/nfs/dbraw/zinc/22/24/86/523222486.db2.gz	BNJCJNIOCOSZDY-UHFFFAOYSA-N	1	0	374.485	1.776	20	30		FDEDRO
N#Cc1nnc2ccccc2c1NCCCC[NH+]1CCN(CCO)CC1	ZINC000077224515	523272363	/nfs/dbraw/zinc/27/23/63/523272363.db2.gz	KTCUKMLVFHFNJB-UHFFFAOYSA-N	1	0	354.458	1.303	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1	ZINC000053049658	523333526	/nfs/dbraw/zinc/33/35/26/523333526.db2.gz	HKGMIMIFDZTUHI-HNNXBMFYSA-N	1	0	374.460	1.914	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCC(C[NH+]2CCOCC2)CC1	ZINC000053563922	523465214	/nfs/dbraw/zinc/46/52/14/523465214.db2.gz	NIHORYPUSNFTRX-UHFFFAOYSA-N	1	0	373.453	1.516	20	30		FDEDRO
N#Cc1cc(S(N)(=O)=O)ccc1NC1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000078292680	523553310	/nfs/dbraw/zinc/55/33/10/523553310.db2.gz	YBAGBOPXRBBYKH-ZDUSSCGKSA-N	1	0	364.471	1.118	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1	ZINC000054183140	523586879	/nfs/dbraw/zinc/58/68/79/523586879.db2.gz	PBHOLCDVHYUQRT-KGLIPLIRSA-N	1	0	359.430	1.132	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1	ZINC000054853052	523708956	/nfs/dbraw/zinc/70/89/56/523708956.db2.gz	FLHKULLLOJHDDA-OAHLLOKOSA-N	1	0	370.453	1.884	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1	ZINC000054983906	523727047	/nfs/dbraw/zinc/72/70/47/523727047.db2.gz	GQVVMBZUTQYQKK-QGZVFWFLSA-N	1	0	367.453	1.993	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000271655404	674365618	/nfs/dbraw/zinc/36/56/18/674365618.db2.gz	JDVBAVFYKYZLCU-OAHLLOKOSA-N	1	0	365.499	1.788	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)C1	ZINC000080795005	523906795	/nfs/dbraw/zinc/90/67/95/523906795.db2.gz	LVTPAVDLCGSZJV-SFHVURJKSA-N	1	0	365.499	1.821	20	30		FDEDRO
C=CCNc1ncc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)s1	ZINC000136290474	524192535	/nfs/dbraw/zinc/19/25/35/524192535.db2.gz	CBVQWQAOJXZLLD-ZDUSSCGKSA-N	1	0	350.488	1.972	20	30		FDEDRO
N#Cc1ccc([C@@H]([NH2+]CC2(CN3CCOCC3)CCCCC2)C(N)=O)cc1	ZINC000083032747	524234139	/nfs/dbraw/zinc/23/41/39/524234139.db2.gz	KQKAPHYQLSSOBZ-LJQANCHMSA-N	1	0	370.497	1.957	20	30		FDEDRO
N#Cc1ccnc(N2CC[NH+](CCC(=O)Nc3cc(N)ccc3F)CC2)c1	ZINC000083133555	524239906	/nfs/dbraw/zinc/23/99/06/524239906.db2.gz	MYVBHIGWECHCJE-UHFFFAOYSA-N	1	0	368.416	1.825	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1CC[NH+](C2CCC(C(C)C)CC2)CC1	ZINC000084681339	524323720	/nfs/dbraw/zinc/32/37/20/524323720.db2.gz	FOKNSYHBYIHRBK-UHFFFAOYSA-N	1	0	350.507	1.831	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1	ZINC000141889575	524343566	/nfs/dbraw/zinc/34/35/66/524343566.db2.gz	MHNKBCTUWURSSM-QGZVFWFLSA-N	1	0	366.469	1.847	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(NC(=O)C(C)C)c2)CC1	ZINC000173274110	524358459	/nfs/dbraw/zinc/35/84/59/524358459.db2.gz	HSFYZFQXUCSNRH-UHFFFAOYSA-N	1	0	372.469	1.986	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(=O)NCC)cc2C)CC1	ZINC000173273484	524359018	/nfs/dbraw/zinc/35/90/18/524359018.db2.gz	ZVFNCAOMEKCSND-UHFFFAOYSA-N	1	0	372.469	1.450	20	30		FDEDRO
CC(C)[C@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)[NH+]1CCC(C)CC1	ZINC000086446458	524388901	/nfs/dbraw/zinc/38/89/01/524388901.db2.gz	OZPBEJIQZSXHNS-INIZCTEOSA-N	1	0	374.489	1.608	20	30		FDEDRO
Cn1ccnc1CC1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1	ZINC000121916838	524405943	/nfs/dbraw/zinc/40/59/43/524405943.db2.gz	URYPXEKCBXRIKE-UHFFFAOYSA-N	1	0	351.406	1.982	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(-c2cc[nH]n2)cc1	ZINC000122138989	524459580	/nfs/dbraw/zinc/45/95/80/524459580.db2.gz	NCARRZBYHKCNPQ-UHFFFAOYSA-N	1	0	368.441	1.709	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCc3cccc(CO)c3)=[NH+]C[C@H]2C1	ZINC000089120877	524476475	/nfs/dbraw/zinc/47/64/75/524476475.db2.gz	RNZTXTZLQLTPGC-INIZCTEOSA-N	1	0	360.458	1.559	20	30		FDEDRO
C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)C(=O)N1CCN(c2ncccn2)CC1	ZINC000112525248	524500041	/nfs/dbraw/zinc/50/00/41/524500041.db2.gz	JPRUEDSDYFYRRF-HZPDHXFCSA-N	1	0	364.453	1.736	20	30		FDEDRO
NC(=[NH+]OCC(=O)N1CCCCC1)c1ccc(N2CCC(O)CC2)cc1	ZINC000174126899	524516690	/nfs/dbraw/zinc/51/66/90/524516690.db2.gz	CDFFUWKMACCNJM-UHFFFAOYSA-N	1	0	360.458	1.297	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cn(-c3ccc(C)cc3)nn2)c1C#N	ZINC000089673777	524518236	/nfs/dbraw/zinc/51/82/36/524518236.db2.gz	BYNIPOPOWIILHH-UHFFFAOYSA-N	1	0	364.413	1.575	20	30		FDEDRO
C[NH+]=C(NCC1CCN(C(C)=O)CC1)N(C)Cc1cc(Cl)cn1C	ZINC000158793049	524529144	/nfs/dbraw/zinc/52/91/44/524529144.db2.gz	QPPIEQCENFCLQA-UHFFFAOYSA-N	1	0	353.898	1.944	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Cc1cccc(OCC#N)c1	ZINC000089811179	524531187	/nfs/dbraw/zinc/53/11/87/524531187.db2.gz	FPTRIADYHAIUHU-SFHVURJKSA-N	1	0	372.469	1.190	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)CN(C)CCN1C(=O)c2ccccc2C1=O	ZINC000158901519	524548722	/nfs/dbraw/zinc/54/87/22/524548722.db2.gz	YAZRFDOTYWCGKE-AWEZNQCLSA-N	1	0	356.426	1.223	20	30		FDEDRO
C[N@H+](CCCOc1ccc2c(c1)OCO2)CCCc1[nH]nc(N)c1C#N	ZINC000089943202	524556699	/nfs/dbraw/zinc/55/66/99/524556699.db2.gz	HRFYJSRYUHTCSJ-UHFFFAOYSA-N	1	0	357.414	1.926	20	30		FDEDRO
C[C@@H](C(=O)NCc1ccccc1F)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000089943807	524556800	/nfs/dbraw/zinc/55/68/00/524556800.db2.gz	QKLSBZAKPGYRTB-LBPRGKRZSA-N	1	0	358.421	1.572	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000122641251	524581871	/nfs/dbraw/zinc/58/18/71/524581871.db2.gz	IGQZREHHYPMOKN-LSDHHAIUSA-N	1	0	357.462	1.053	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)Cc1c(C)[nH]c2ccnn2c1=O)C(C)C	ZINC000112919921	524595552	/nfs/dbraw/zinc/59/55/52/524595552.db2.gz	HABQMMQKGZQFAS-QGZVFWFLSA-N	1	0	371.485	1.688	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)/C=C/c2ccc(OCC#N)cc2)CC1	ZINC000112922509	524596772	/nfs/dbraw/zinc/59/67/72/524596772.db2.gz	SUVPWYJLTSVVFC-YOCVDRLZSA-N	1	0	370.497	1.992	20	30		FDEDRO
C[NH+]=C(NCc1ccc(Cl)cc1)N[C@H]1CCc2nc(COC)nn2C1	ZINC000159130234	524600382	/nfs/dbraw/zinc/60/03/82/524600382.db2.gz	NSHQSEQRCHZEDB-AWEZNQCLSA-N	1	0	362.865	1.758	20	30		FDEDRO
CO/N=C(/C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccco1	ZINC000174542131	524620824	/nfs/dbraw/zinc/62/08/24/524620824.db2.gz	PAOJDGWAYXJPGW-OQKWZONESA-N	1	0	372.425	1.238	20	30		FDEDRO
C[NH+](C)CCNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000122836348	524626429	/nfs/dbraw/zinc/62/64/29/524626429.db2.gz	QHDOPIBUGYCBNJ-UHFFFAOYSA-N	1	0	357.414	1.700	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000151648079	524642356	/nfs/dbraw/zinc/64/23/56/524642356.db2.gz	DVELCTCVFRGWFP-AWEZNQCLSA-N	1	0	366.487	1.073	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000091193964	524655079	/nfs/dbraw/zinc/65/50/79/524655079.db2.gz	FPKWLCIIOBBFDS-CYBMUJFWSA-N	1	0	360.462	1.439	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1	ZINC000091238948	524674166	/nfs/dbraw/zinc/67/41/66/524674166.db2.gz	SMDBIDHAZQKNCB-UHFFFAOYSA-N	1	0	360.462	1.439	20	30		FDEDRO
N#Cc1ccccc1N1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000174732031	524713764	/nfs/dbraw/zinc/71/37/64/524713764.db2.gz	SURUTMUBWUCXIO-KRWDZBQOSA-N	1	0	370.413	1.236	20	30		FDEDRO
COCC[N@H+](CCN1C(=O)NC2(CCCC2)C1=O)Cc1ccc(C#N)cc1	ZINC000159774340	524738062	/nfs/dbraw/zinc/73/80/62/524738062.db2.gz	OTRLSXNJYPNQSX-UHFFFAOYSA-N	1	0	370.453	1.871	20	30		FDEDRO
C[NH+]=C(NCc1cccc(CS(C)(=O)=O)c1)N[C@H]1C[C@H]2CC[C@@H]1O2	ZINC000159787121	524739140	/nfs/dbraw/zinc/73/91/40/524739140.db2.gz	ODEVCHNXXKBKSL-PMPSAXMXSA-N	1	0	351.472	1.216	20	30		FDEDRO
N#Cc1ccccc1OCC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1	ZINC000160459646	524893983	/nfs/dbraw/zinc/89/39/83/524893983.db2.gz	BTNBRYMRPAGUHI-ROUUACIJSA-N	1	0	357.454	1.821	20	30		FDEDRO
Cc1oc(NC(=O)[C@H](C)N2CCC([N@H+](C)CCCO)CC2)c(C#N)c1C	ZINC000115546509	525015221	/nfs/dbraw/zinc/01/52/21/525015221.db2.gz	PAYLLNOZYGKCBB-AWEZNQCLSA-N	1	0	362.474	1.874	20	30		FDEDRO
CCNC(NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1)=[NH+]CC	ZINC000161486140	525118234	/nfs/dbraw/zinc/11/82/34/525118234.db2.gz	XVJQWTCGDCRYSW-MRXNPFEDSA-N	1	0	364.490	1.652	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)CC1	ZINC000176497712	525129582	/nfs/dbraw/zinc/12/95/82/525129582.db2.gz	ZSJGBVIRVVEJMN-QGZVFWFLSA-N	1	0	360.506	1.729	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)CC1	ZINC000176499451	525131306	/nfs/dbraw/zinc/13/13/06/525131306.db2.gz	MCKGQRVHSGAXHY-MRXNPFEDSA-N	1	0	374.489	1.174	20	30		FDEDRO
CCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000125225316	525169963	/nfs/dbraw/zinc/16/99/63/525169963.db2.gz	ZJXQYYNLXKUKSE-SJLPKXTDSA-N	1	0	354.454	1.902	20	30		FDEDRO
C[NH+](C)C1CCN(CCNC(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1	ZINC000125233108	525170954	/nfs/dbraw/zinc/17/09/54/525170954.db2.gz	IRICBDFPEPBFJZ-UHFFFAOYSA-N	1	0	358.486	1.858	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2cn3ccccc3c2C#N)CC1	ZINC000162214352	525227337	/nfs/dbraw/zinc/22/73/37/525227337.db2.gz	YKGJOARSWXKXTD-LJQANCHMSA-N	1	0	351.454	1.549	20	30		FDEDRO
CC[NH+]=C(NC[C@H](O)c1ccc(F)cc1)N[C@@H]1CCCn2nc(C)nc21	ZINC000153616085	525264647	/nfs/dbraw/zinc/26/46/47/525264647.db2.gz	XVZMQRFPGXZPTQ-CVEARBPZSA-N	1	0	360.437	1.849	20	30		FDEDRO
CC(C)C(=O)NC[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000101966126	525265349	/nfs/dbraw/zinc/26/53/49/525265349.db2.gz	PFLUVDQDFIKMQK-MOPGFXCFSA-N	1	0	373.497	1.977	20	30		FDEDRO
C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000117077392	525285684	/nfs/dbraw/zinc/28/56/84/525285684.db2.gz	JXUNKEAJYXFMEA-MRXNPFEDSA-N	1	0	358.486	1.843	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3C[C@H]4CCCC[C@@H]4C3)CC2)o1	ZINC000177533032	525306093	/nfs/dbraw/zinc/30/60/93/525306093.db2.gz	ULKPTGCJNBJKIO-HZPDHXFCSA-N	1	0	357.458	1.625	20	30		FDEDRO
C=C(C)CNC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1	ZINC000126593661	525330328	/nfs/dbraw/zinc/33/03/28/525330328.db2.gz	BMSKQKGOMOVXNQ-UHFFFAOYSA-N	1	0	362.449	1.987	20	30		FDEDRO
N#Cc1csc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000177691699	525331528	/nfs/dbraw/zinc/33/15/28/525331528.db2.gz	XBPQEWXTFNHBRG-UHFFFAOYSA-N	1	0	366.424	1.596	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)CCc2ccc(C#N)cc2)CC1	ZINC000103449306	525352289	/nfs/dbraw/zinc/35/22/89/525352289.db2.gz	IZDYAUQVKROQQR-UHFFFAOYSA-N	1	0	356.470	1.503	20	30		FDEDRO
N#CC1(c2ccccc2)CC([NH2+]CCS(=O)(=O)N2CCSCC2)C1	ZINC000126803891	525354844	/nfs/dbraw/zinc/35/48/44/525354844.db2.gz	UINZCDHVJROGLN-UHFFFAOYSA-N	1	0	365.524	1.579	20	30		FDEDRO
C[NH+]=C(NCc1cc2c(cc1OC)C[C@H](C)O2)N[C@H]1CCc2ncnn2C1	ZINC000153914522	525360908	/nfs/dbraw/zinc/36/09/08/525360908.db2.gz	CGAIGYCXEIICGK-WFASDCNBSA-N	1	0	370.457	1.290	20	30		FDEDRO
CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1	ZINC000163196307	525376087	/nfs/dbraw/zinc/37/60/87/525376087.db2.gz	RAUKZGROVAPQBA-UHFFFAOYSA-N	1	0	358.442	1.862	20	30		FDEDRO
N#CCOc1ccccc1C(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1	ZINC000127264269	525402177	/nfs/dbraw/zinc/40/21/77/525402177.db2.gz	NMHLFLFKARAMJO-MSOLQXFVSA-N	1	0	365.433	1.954	20	30		FDEDRO
C#CCCN1CCN([C@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)CC1	ZINC000127270221	525404682	/nfs/dbraw/zinc/40/46/82/525404682.db2.gz	ZYORZMBDFLIYMC-MRXNPFEDSA-N	1	0	357.454	1.119	20	30		FDEDRO
COc1cccc([C@H](CNC(=O)Cn2cnc(C#N)n2)[NH+]2CCCC2)c1	ZINC000178336831	525412993	/nfs/dbraw/zinc/41/29/93/525412993.db2.gz	KAOGUXXUOFBBCF-INIZCTEOSA-N	1	0	354.414	1.112	20	30		FDEDRO
C[NH+]1CCN(Cc2ccc(C(=O)Nc3ccn(CCC#N)n3)cc2)CC1	ZINC000117989532	525420156	/nfs/dbraw/zinc/42/01/56/525420156.db2.gz	ICBVJJXBLOQTQX-UHFFFAOYSA-N	1	0	352.442	1.796	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000118095699	525436546	/nfs/dbraw/zinc/43/65/46/525436546.db2.gz	DONCPRVLIWFVKQ-GFCCVEGCSA-N	1	0	366.368	1.699	20	30		FDEDRO
C[C@H]([NH2+]C1(CNC(=O)Cn2cnc(C#N)n2)CCCC1)c1ccccc1	ZINC000178579149	525448193	/nfs/dbraw/zinc/44/81/93/525448193.db2.gz	IITDTLWQJONSFL-HNNXBMFYSA-N	1	0	352.442	1.930	20	30		FDEDRO
CC(C)NS(=O)(=O)CCNC(=[NH2+])Nc1ccccc1OC(F)(F)F	ZINC000178574490	525448301	/nfs/dbraw/zinc/44/83/01/525448301.db2.gz	RQHJTIBFTYSZFK-UHFFFAOYSA-N	1	0	368.381	1.640	20	30		FDEDRO
CCCN(CC[NH+](C)C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000163814436	525451512	/nfs/dbraw/zinc/45/15/12/525451512.db2.gz	AOZJSEIZQIGHKG-CQSZACIVSA-N	1	0	366.487	1.025	20	30		FDEDRO
N#Cc1ccc(NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1Cl	ZINC000104978761	525456398	/nfs/dbraw/zinc/45/63/98/525456398.db2.gz	XKVWEYLJDCHOIB-CYBMUJFWSA-N	1	0	363.849	1.921	20	30		FDEDRO
CC(C)C[C@H](NC(=O)CNc1ccc(C#N)cc1)C(=O)NCC[NH+](C)C	ZINC000127932924	525482270	/nfs/dbraw/zinc/48/22/70/525482270.db2.gz	MJJACGDPXOMZAE-KRWDZBQOSA-N	1	0	359.474	1.179	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2F)C1	ZINC000178828644	525487477	/nfs/dbraw/zinc/48/74/77/525487477.db2.gz	BJJBONNSNSNINU-CQSZACIVSA-N	1	0	362.405	1.109	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2F)C1	ZINC000178828659	525488182	/nfs/dbraw/zinc/48/81/82/525488182.db2.gz	BJJBONNSNSNINU-AWEZNQCLSA-N	1	0	362.405	1.109	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cc([N+](=O)[O-])ccc2OC)c1C#N	ZINC000128203273	525514480	/nfs/dbraw/zinc/51/44/80/525514480.db2.gz	GLGUVXDJLYHFHQ-UHFFFAOYSA-N	1	0	358.358	1.602	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CCCNC(=O)c2ccsc2)c1C#N	ZINC000128206506	525516822	/nfs/dbraw/zinc/51/68/22/525516822.db2.gz	SAQNEMKHGDSTFB-UHFFFAOYSA-N	1	0	374.470	1.644	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1Cl	ZINC000128466106	525544511	/nfs/dbraw/zinc/54/45/11/525544511.db2.gz	FOAGSOVWEJPZFX-UHFFFAOYSA-N	1	0	369.812	1.894	20	30		FDEDRO
CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1	ZINC000128515660	525551329	/nfs/dbraw/zinc/55/13/29/525551329.db2.gz	HWUSVIWKOWXIAR-HNNXBMFYSA-N	1	0	371.485	1.964	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CC1	ZINC000106036459	525553745	/nfs/dbraw/zinc/55/37/45/525553745.db2.gz	VTCWBSTUMMDXJJ-INIZCTEOSA-N	1	0	356.470	1.587	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CCN2c3ccccc3OCC2=O)CC1	ZINC000106038942	525554202	/nfs/dbraw/zinc/55/42/02/525554202.db2.gz	IBMFKIMFVNOBAG-UHFFFAOYSA-N	1	0	357.454	1.959	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H](NC(=O)c2ccccn2)C(C)C)CC1	ZINC000106034592	525554277	/nfs/dbraw/zinc/55/42/77/525554277.db2.gz	DNFCLVMEFXBMDH-GOSISDBHSA-N	1	0	358.486	1.993	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)CC1	ZINC000118835175	525556435	/nfs/dbraw/zinc/55/64/35/525556435.db2.gz	OOJFSPVFOYMCBY-RDJZCZTQSA-N	1	0	373.501	1.807	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](CCCO)c2ccccc2)CC1	ZINC000179743259	525620283	/nfs/dbraw/zinc/62/02/83/525620283.db2.gz	KNZKKHQOEKNRRR-VQTJNVASSA-N	1	0	372.513	1.782	20	30		FDEDRO
C=CCNc1ncc(C(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)s1	ZINC000129342379	525645901	/nfs/dbraw/zinc/64/59/01/525645901.db2.gz	YVJMYLAQZJVZBX-OAHLLOKOSA-N	1	0	363.531	1.983	20	30		FDEDRO
CC(C)[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)C(=O)N1CCOCC1	ZINC000180069401	525659332	/nfs/dbraw/zinc/65/93/32/525659332.db2.gz	ZPVLARSJYBKXPZ-IBGZPJMESA-N	1	0	372.469	1.406	20	30		FDEDRO
COCC[N@H+](C)CC[C@H](NC(=O)N1CCO[C@H](C#N)C1)c1ccccc1	ZINC000106339072	525696430	/nfs/dbraw/zinc/69/64/30/525696430.db2.gz	YMNDJROYWYZYLJ-MSOLQXFVSA-N	1	0	360.458	1.630	20	30		FDEDRO
N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CCO1	ZINC000106350299	525699826	/nfs/dbraw/zinc/69/98/26/525699826.db2.gz	WMWAERGOZYKAEI-KRWDZBQOSA-N	1	0	356.426	1.362	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[NH+](CC(C)(C)O)CC1	ZINC000106398707	525715712	/nfs/dbraw/zinc/71/57/12/525715712.db2.gz	BKNSEIHKQZCREJ-UHFFFAOYSA-N	1	0	361.490	1.261	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2nccc3c2cccc3S(N)(=O)=O)CC1	ZINC000180675227	525738147	/nfs/dbraw/zinc/73/81/47/525738147.db2.gz	UVXHOAHAMWIIDX-UHFFFAOYSA-N	1	0	374.466	1.262	20	30		FDEDRO
CCC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1	ZINC000155102117	525745236	/nfs/dbraw/zinc/74/52/36/525745236.db2.gz	OBTLZFIUYRDATD-HNNXBMFYSA-N	1	0	358.442	1.860	20	30		FDEDRO
N#CC1(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)CCOCC1	ZINC000180868121	525767344	/nfs/dbraw/zinc/76/73/44/525767344.db2.gz	SRJUEXSAENRQFC-SFHVURJKSA-N	1	0	357.454	1.580	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](CO)c2cccc(Br)c2)CC1	ZINC000181132012	525811135	/nfs/dbraw/zinc/81/11/35/525811135.db2.gz	WUJHIDOSUCHQAO-INIZCTEOSA-N	1	0	365.271	1.944	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1	ZINC000107312206	525868760	/nfs/dbraw/zinc/86/87/60/525868760.db2.gz	MUVNHUFIZTVIBH-KRWDZBQOSA-N	1	0	362.499	1.349	20	30		FDEDRO
CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000119804817	525870034	/nfs/dbraw/zinc/87/00/34/525870034.db2.gz	CGBMORMWUFEOGG-CABCVRRESA-N	1	0	359.478	1.299	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)CC1	ZINC000107406852	525888098	/nfs/dbraw/zinc/88/80/98/525888098.db2.gz	AREOUUOQVPKGDF-SFHVURJKSA-N	1	0	369.469	1.125	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)N1CCc2ccccc21	ZINC000155525731	525893904	/nfs/dbraw/zinc/89/39/04/525893904.db2.gz	DMIOHSKFMQJBEP-HNNXBMFYSA-N	1	0	362.437	1.448	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000171280107	525928271	/nfs/dbraw/zinc/92/82/71/525928271.db2.gz	XXWXQXAEPSWFCK-ZDUSSCGKSA-N	1	0	357.863	1.601	20	30		FDEDRO
COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H](C)C(N)=O	ZINC000155635540	525929567	/nfs/dbraw/zinc/92/95/67/525929567.db2.gz	HKUKTCRYLYLNLQ-LLVKDONJSA-N	1	0	364.471	1.259	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN([C@H](C(=O)OC)c3cccc(C#N)c3)C2)CC1	ZINC000155668971	525939303	/nfs/dbraw/zinc/93/93/03/525939303.db2.gz	FWEQHYIAAXGEMA-OALUTQOASA-N	1	0	356.470	1.484	20	30		FDEDRO
CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCC(=O)N(C)CCC#N)c1	ZINC000181942375	525991892	/nfs/dbraw/zinc/99/18/92/525991892.db2.gz	CVEMEGDXZYYRNP-CYBMUJFWSA-N	1	0	352.460	1.007	20	30		FDEDRO
N#CCCN(C(=O)C[NH2+][C@H](CC(N)=O)C1CCOCC1)c1ccccc1	ZINC000181950976	525995565	/nfs/dbraw/zinc/99/55/65/525995565.db2.gz	KMVVVCKZOQIWNO-QGZVFWFLSA-N	1	0	358.442	1.193	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)[C@H]1CCCN(CC(F)(F)F)C1=O	ZINC000120297612	526019117	/nfs/dbraw/zinc/01/91/17/526019117.db2.gz	MTBKIJMHHRFQBD-LBPRGKRZSA-N	1	0	358.368	1.281	20	30		FDEDRO
C=CCn1nnnc1SCC(=O)N1CCN(Cc2ccccc2)CC1	ZINC000108754577	526019228	/nfs/dbraw/zinc/01/92/28/526019228.db2.gz	GWYWUUPNMCSSEH-UHFFFAOYSA-N	1	0	358.471	1.296	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCCNC(=O)c2ccccc2F)CC1	ZINC000171560650	526036180	/nfs/dbraw/zinc/03/61/80/526036180.db2.gz	LQLGFERHIAVCAN-UHFFFAOYSA-N	1	0	362.449	1.895	20	30		FDEDRO
C[NH+]=C(NCCc1nc(C)no1)N1CCN(c2cc(F)ccc2F)CC1	ZINC000156177456	526074473	/nfs/dbraw/zinc/07/44/73/526074473.db2.gz	FTCCXULFOKPEND-UHFFFAOYSA-N	1	0	364.400	1.596	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)NCc3ccc(OCC#N)cc3)C2)CC1	ZINC000171733177	526100812	/nfs/dbraw/zinc/10/08/12/526100812.db2.gz	CIJRDWKUNUNBBM-SFHVURJKSA-N	1	0	371.485	1.510	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)[C@H](Cc2ccccc2)C(=O)OCC)CC1	ZINC000171815879	526133910	/nfs/dbraw/zinc/13/39/10/526133910.db2.gz	MKZYGARDGCQWAJ-LJQANCHMSA-N	1	0	356.466	1.964	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(CC(=O)Nc2cccc(C#N)c2)CC1	ZINC000109751657	526172332	/nfs/dbraw/zinc/17/23/32/526172332.db2.gz	LDCXHTYUZRVVAM-LJQANCHMSA-N	1	0	355.486	1.599	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CNc2ccccc2O[C@@H](C)C#N)C1	ZINC000182589777	535829067	/nfs/dbraw/zinc/82/90/67/535829067.db2.gz	KQLGMBUZTRFFSU-IRXDYDNUSA-N	1	0	374.485	1.862	20	30		FDEDRO
COCCN(CC[NH+](C)C)C(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000184575854	536166012	/nfs/dbraw/zinc/16/60/12/536166012.db2.gz	KLMKPEPDUCNKKB-UHFFFAOYSA-N	1	0	357.418	1.181	20	30		FDEDRO
COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)cc1	ZINC000185859137	536219428	/nfs/dbraw/zinc/21/94/28/536219428.db2.gz	DVXYLPHWEZHPSD-SJORKVTESA-N	1	0	364.467	1.946	20	30		FDEDRO
C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000186689608	536241279	/nfs/dbraw/zinc/24/12/79/536241279.db2.gz	WEPOOJVIWWXZDL-GOEBONIOSA-N	1	0	354.472	1.295	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)CC1(CO)CC1	ZINC000186827102	536245667	/nfs/dbraw/zinc/24/56/67/536245667.db2.gz	XXRNXPCIDGPVMS-OAHLLOKOSA-N	1	0	362.499	1.161	20	30		FDEDRO
C[C@H]1C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC[C@@H]1O	ZINC000186844367	536246041	/nfs/dbraw/zinc/24/60/41/536246041.db2.gz	AWAAMEKLTJZZNN-BBRMVZONSA-N	1	0	354.372	1.876	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1	ZINC000187330189	536262247	/nfs/dbraw/zinc/26/22/47/536262247.db2.gz	UWXAJUZYVHAKCB-HOTGVXAUSA-N	1	0	357.454	1.874	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(C)CC2([NH+](C)C)CCC2)c1	ZINC000188012655	536280230	/nfs/dbraw/zinc/28/02/30/536280230.db2.gz	HQIZONCEQFUFFB-UHFFFAOYSA-N	1	0	365.499	1.707	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC#N)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000188301739	536289432	/nfs/dbraw/zinc/28/94/32/536289432.db2.gz	IZRFXFUOGKMNEI-FXAWDEMLSA-N	1	0	358.486	1.316	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)CN(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000188310734	536289902	/nfs/dbraw/zinc/28/99/02/536289902.db2.gz	RIODXQAPGBSSRW-LEWJYISDSA-N	1	0	372.513	1.610	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@]2(CO)C[C@@H](OCC)C2(C)C)CC1	ZINC000188565662	536903775	/nfs/dbraw/zinc/90/37/75/536903775.db2.gz	GVHMDMOUJWUDIE-VQIMIIECSA-N	1	0	353.507	1.892	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)NC[C@@](C)(O)c1cc(C)oc1C	ZINC000262800536	536904723	/nfs/dbraw/zinc/90/47/23/536904723.db2.gz	QTGALPJGBXTNHI-DNVCBOLYSA-N	1	0	374.489	1.431	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1	ZINC000266629168	536911185	/nfs/dbraw/zinc/91/11/85/536911185.db2.gz	JTGSOIQCLALWIT-OAHLLOKOSA-N	1	0	373.428	1.721	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(OC)c(OC)cc2F)CC1	ZINC000266683774	536919956	/nfs/dbraw/zinc/91/99/56/536919956.db2.gz	KVYGHNKLBBKKCJ-UHFFFAOYSA-N	1	0	365.405	1.548	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCCN(CC)C(=O)C1)C(C)C	ZINC000188650528	536921425	/nfs/dbraw/zinc/92/14/25/536921425.db2.gz	VLNDNYGOBNAWAM-QGZVFWFLSA-N	1	0	350.507	1.949	20	30		FDEDRO
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000246315498	536925468	/nfs/dbraw/zinc/92/54/68/536925468.db2.gz	CTDHPCOYESSGPU-PKOBYXMFSA-N	1	0	357.454	1.817	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cnn([C@@H](C)C3CC3)c2)CC1	ZINC000188680935	536926857	/nfs/dbraw/zinc/92/68/57/536926857.db2.gz	JKERKQWGHPQKCI-AWEZNQCLSA-N	1	0	359.474	1.949	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ncccc1OCCCC#N	ZINC000188768713	536946016	/nfs/dbraw/zinc/94/60/16/536946016.db2.gz	RZKXZHYNRFVFRY-OAHLLOKOSA-N	1	0	360.462	1.522	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1	ZINC000246472781	536960982	/nfs/dbraw/zinc/96/09/82/536960982.db2.gz	QDHRLZNBKMFOBY-OWCLPIDISA-N	1	0	371.489	1.441	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](CN2CCOCC2)C1	ZINC000246641093	536995143	/nfs/dbraw/zinc/99/51/43/536995143.db2.gz	PMMKPJNYIRUBMP-ROUUACIJSA-N	1	0	362.518	1.762	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1	ZINC000268173053	537012002	/nfs/dbraw/zinc/01/20/02/537012002.db2.gz	KFEQIQHKPMBDLV-SUMWQHHRSA-N	1	0	363.483	1.363	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000269923011	537030016	/nfs/dbraw/zinc/03/00/16/537030016.db2.gz	AZPWQVVHAVBCPZ-FSBGKCOPSA-N	1	0	351.809	1.478	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccccc1OCC#N	ZINC000263681172	537063771	/nfs/dbraw/zinc/06/37/71/537063771.db2.gz	KXUQTAKQVMJLRG-MRXNPFEDSA-N	1	0	358.442	1.261	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1	ZINC000247282348	537103357	/nfs/dbraw/zinc/10/33/57/537103357.db2.gz	FYUPIBGHTWSZIS-WMLDXEAASA-N	1	0	365.499	1.563	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)CN1CC[N@H+](CC(C)(C)O)[C@@H](C)C1	ZINC000189898984	537111901	/nfs/dbraw/zinc/11/19/01/537111901.db2.gz	RXYWQFHMHOUFKN-HKUYNNGSSA-N	1	0	362.514	1.932	20	30		FDEDRO
C[C@@H]1CN(CCC(=O)Nc2sccc2C#N)CC[N@@H+]1CC(C)(C)O	ZINC000189922549	537116487	/nfs/dbraw/zinc/11/64/87/537116487.db2.gz	YVONWXRDABOAPJ-CYBMUJFWSA-N	1	0	350.488	1.725	20	30		FDEDRO
C[C@@H]1CN(CC(=O)N(C)C2(C#N)CCCCC2)CC[N@@H+]1CC(C)(C)O	ZINC000189949930	537119488	/nfs/dbraw/zinc/11/94/88/537119488.db2.gz	ACZJWVYEWXDHEE-MRXNPFEDSA-N	1	0	350.507	1.448	20	30		FDEDRO
CC1CCN(C(=[NH2+])NCc2ccc(C(=O)N3CCN(C)CC3)cc2)CC1	ZINC000264106096	537137747	/nfs/dbraw/zinc/13/77/47/537137747.db2.gz	NWJKZCQQGMYKDT-UHFFFAOYSA-N	1	0	357.502	1.621	20	30		FDEDRO
COc1cc(CNC(=[NH2+])Nc2ccccn2)ccc1OCC(=O)N(C)C	ZINC000264106179	537138138	/nfs/dbraw/zinc/13/81/38/537138138.db2.gz	PQIVSAGUSXELAZ-UHFFFAOYSA-N	1	0	357.414	1.484	20	30		FDEDRO
COc1ccc(C[NH2+]CCN2CCCS2(=O)=O)cc1OCCCC#N	ZINC000264396616	537143085	/nfs/dbraw/zinc/14/30/85/537143085.db2.gz	UWPVERSJOPTYDL-UHFFFAOYSA-N	1	0	367.471	1.503	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(CC(=O)NC[C@H]3CCCO3)CC2)cc1	ZINC000247658287	537143643	/nfs/dbraw/zinc/14/36/43/537143643.db2.gz	QPYHKCFVKXWHBH-LJQANCHMSA-N	1	0	356.470	1.361	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1	ZINC000265632963	537162981	/nfs/dbraw/zinc/16/29/81/537162981.db2.gz	SIPUXDYZDADEAP-KRWDZBQOSA-N	1	0	372.469	1.832	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCC(c3ccncc3)CC2)CC1	ZINC000191643245	537209376	/nfs/dbraw/zinc/20/93/76/537209376.db2.gz	ZMAUOXKSTLCIEF-FQEVSTJZSA-N	1	0	369.513	1.953	20	30		FDEDRO
N#Cc1ccc(C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc1O	ZINC000249039772	537225938	/nfs/dbraw/zinc/22/59/38/537225938.db2.gz	CYJOGRWAWZUPGV-ZWKOTPCHSA-N	1	0	351.406	1.629	20	30		FDEDRO
C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000249107055	537229437	/nfs/dbraw/zinc/22/94/37/537229437.db2.gz	AATFKSDIPXCATQ-GXTWGEPZSA-N	1	0	360.462	1.247	20	30		FDEDRO
CN(CCO)S(=O)(=O)c1ccccc1C[NH2+][C@H]1CCC[C@H](C#N)C1	ZINC000192996728	537237580	/nfs/dbraw/zinc/23/75/80/537237580.db2.gz	NWSZEKLAZUHBFD-HOCLYGCPSA-N	1	0	351.472	1.471	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC[C@H]1O	ZINC000249530499	537237818	/nfs/dbraw/zinc/23/78/18/537237818.db2.gz	AWAAMEKLTJZZNN-CZUORRHYSA-N	1	0	354.372	1.876	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)ccc1F	ZINC000193514352	537250125	/nfs/dbraw/zinc/25/01/25/537250125.db2.gz	SSPWFMSLZUSBDI-RISCZKNCSA-N	1	0	355.435	1.160	20	30		FDEDRO
[NH2+]=C(NCCc1c[nH]c2cc(F)ccc12)N1CCN(c2ncccn2)CC1	ZINC000261988540	537253470	/nfs/dbraw/zinc/25/34/70/537253470.db2.gz	KZOKPFJKWRCKDP-UHFFFAOYSA-N	1	0	367.432	1.776	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@H+](C)C1CCN(c2cc(C)nc(C)n2)CC1	ZINC000363636243	537263039	/nfs/dbraw/zinc/26/30/39/537263039.db2.gz	YDNJFAGSAOEHCD-UHFFFAOYSA-N	1	0	358.490	1.756	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH2+][C@H]2CCN(C3CCOCC3)C2=O)cc1	ZINC000363658294	537270701	/nfs/dbraw/zinc/27/07/01/537270701.db2.gz	AJAJVEAGMVKLNC-IBGZPJMESA-N	1	0	356.470	1.906	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CC[C@]3(C2)C(=O)Nc2ccccc23)CC1	ZINC000363777367	537309898	/nfs/dbraw/zinc/30/98/98/537309898.db2.gz	IXGKWFSKTRTJIO-HXUWFJFHSA-N	1	0	354.454	1.942	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21	ZINC000272667152	537315332	/nfs/dbraw/zinc/31/53/32/537315332.db2.gz	JPERKEXKSITWGN-FMKPAKJESA-N	1	0	356.426	1.469	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](O)c2cc(C)cc(C)c2)CC1	ZINC000282693312	537334069	/nfs/dbraw/zinc/33/40/69/537334069.db2.gz	UJQVLZDRPYKMHJ-KRWDZBQOSA-N	1	0	362.474	1.862	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1	ZINC000282898599	537343783	/nfs/dbraw/zinc/34/37/83/537343783.db2.gz	REEMCHDHGFUDAB-CABCVRRESA-N	1	0	350.488	1.359	20	30		FDEDRO
COC(=O)c1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1C	ZINC000293110737	537348966	/nfs/dbraw/zinc/34/89/66/537348966.db2.gz	ONTPEEGNERIDHM-UHFFFAOYSA-N	1	0	368.437	1.887	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C	ZINC000283181612	537358139	/nfs/dbraw/zinc/35/81/39/537358139.db2.gz	DZODRUZZXCFRHG-BZSNNMDCSA-N	1	0	359.470	1.503	20	30		FDEDRO
C[C@H]1CN(CC[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CCO1	ZINC000283189760	537358481	/nfs/dbraw/zinc/35/84/81/537358481.db2.gz	FOCLLGCAMMNZCF-INIZCTEOSA-N	1	0	356.470	1.929	20	30		FDEDRO
CCOC(=O)c1ccn(-c2cccc(CNC(=[NH2+])N[C@@H](C)COC)c2)n1	ZINC000279965827	537361834	/nfs/dbraw/zinc/36/18/34/537361834.db2.gz	CPLLNEBRYWODEP-ZDUSSCGKSA-N	1	0	359.430	1.488	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+](C[C@@H](C)O)[C@H](C)CO)c(OC)c1	ZINC000276256957	537370422	/nfs/dbraw/zinc/37/04/22/537370422.db2.gz	XHFZFVMLXWODED-BFYDXBDKSA-N	1	0	353.459	1.227	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000273033732	537385482	/nfs/dbraw/zinc/38/54/82/537385482.db2.gz	FBRLJANYHNEFMD-QGZVFWFLSA-N	1	0	356.470	1.171	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)C[NH+](C)C	ZINC000293289086	537408790	/nfs/dbraw/zinc/40/87/90/537408790.db2.gz	VRRWTPFVIFPIIB-JTQLQIEISA-N	1	0	367.247	1.573	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(C(=O)c2ccc(C#N)c(C)n2)CC1	ZINC000286295119	537431434	/nfs/dbraw/zinc/43/14/34/537431434.db2.gz	PMTUODCHYIBZHG-UHFFFAOYSA-N	1	0	360.458	1.461	20	30		FDEDRO
CO/N=C/c1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1	ZINC000286554718	537435952	/nfs/dbraw/zinc/43/59/52/537435952.db2.gz	DUVWFWWZTWUPNE-LHCHYLEYSA-N	1	0	372.469	1.480	20	30		FDEDRO
C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)CCSC1	ZINC000290896214	537455983	/nfs/dbraw/zinc/45/59/83/537455983.db2.gz	VHUKNSWLFGMCGW-MRXNPFEDSA-N	1	0	350.419	1.189	20	30		FDEDRO
N#Cc1ccsc1NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1	ZINC000293488702	537484136	/nfs/dbraw/zinc/48/41/36/537484136.db2.gz	TVJPZAUSHOJRPA-UHFFFAOYSA-N	1	0	362.455	1.129	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(NC(=O)OCC)cc1	ZINC000293502954	537490008	/nfs/dbraw/zinc/49/00/08/537490008.db2.gz	XHCMUEIUOBQDBV-UHFFFAOYSA-N	1	0	360.414	1.265	20	30		FDEDRO
CNC(=O)[C@@]1(C)CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000281211432	537514369	/nfs/dbraw/zinc/51/43/69/537514369.db2.gz	SLTBXMQLTOUNNY-SFHVURJKSA-N	1	0	360.483	1.895	20	30		FDEDRO
C=C(C)Cn1c(CC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000291108576	537529275	/nfs/dbraw/zinc/52/92/75/537529275.db2.gz	UUGQJJVGKOEWFN-KRWDZBQOSA-N	1	0	374.533	1.796	20	30		FDEDRO
C[NH+](C)C1CCN(C(=O)Cc2noc(Cc3ccc(C#N)cc3)n2)CC1	ZINC000350951108	537541878	/nfs/dbraw/zinc/54/18/78/537541878.db2.gz	IQGIZJPXUWAMPT-UHFFFAOYSA-N	1	0	353.426	1.627	20	30		FDEDRO
C#CCCN1CCN(S(=O)(=O)c2cncc(Br)c2)CC1	ZINC000299349608	537552679	/nfs/dbraw/zinc/55/26/79/537552679.db2.gz	QHDYPJVDMNMUNQ-UHFFFAOYSA-N	1	0	358.261	1.174	20	30		FDEDRO
CCN(CCC#N)C(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1	ZINC000275731222	537558897	/nfs/dbraw/zinc/55/88/97/537558897.db2.gz	PSBXSGXHONGAPH-UHFFFAOYSA-N	1	0	357.458	1.529	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)nn1CCC#N	ZINC000275725530	537559674	/nfs/dbraw/zinc/55/96/74/537559674.db2.gz	OKPISHGMKWJPGO-INIZCTEOSA-N	1	0	372.473	1.521	20	30		FDEDRO
CCCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000299468745	537587380	/nfs/dbraw/zinc/58/73/80/537587380.db2.gz	NMACHFZDVYNALQ-GOSISDBHSA-N	1	0	356.470	1.803	20	30		FDEDRO
CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000236878871	537602594	/nfs/dbraw/zinc/60/25/94/537602594.db2.gz	XGWLTGVEBPSEEM-UHFFFAOYSA-N	1	0	352.416	1.619	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)c1	ZINC000237091697	537610947	/nfs/dbraw/zinc/61/09/47/537610947.db2.gz	QVLJSXICSGHTDR-LEKQOHNYSA-N	1	0	364.471	1.565	20	30		FDEDRO
C#CC[C@H](Cc1ccccc1)[NH2+][C@H](C)C(=O)NC(=O)NCC(F)(F)F	ZINC000285129856	537624513	/nfs/dbraw/zinc/62/45/13/537624513.db2.gz	NWKMAHBUQGDFAV-TZMCWYRMSA-N	1	0	355.360	1.987	20	30		FDEDRO
Cc1cnn(C)c1S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000285135641	537628392	/nfs/dbraw/zinc/62/83/92/537628392.db2.gz	JRZRTKPZSSXCSB-UHFFFAOYSA-N	1	0	361.471	1.353	20	30		FDEDRO
C[NH+]1CCC2(CCCN2C(=O)NCc2cccc(S(N)(=O)=O)c2)CC1	ZINC000329030018	537634140	/nfs/dbraw/zinc/63/41/40/537634140.db2.gz	ASOQDDJBVVRECH-UHFFFAOYSA-N	1	0	366.487	1.308	20	30		FDEDRO
Cn1nnc2c1C[C@@H](C(=O)NCC1([NH+]3CCCCC3)CCOCC1)CC2	ZINC000329502870	537637899	/nfs/dbraw/zinc/63/78/99/537637899.db2.gz	HZZNCXDWTHXGPH-HNNXBMFYSA-N	1	0	361.490	1.912	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)CC1	ZINC000329657510	537641631	/nfs/dbraw/zinc/64/16/31/537641631.db2.gz	MZCOTTZNZXUSRC-OAHLLOKOSA-N	1	0	351.472	1.893	20	30		FDEDRO
CN1CCO[C@@H]2CN(C(=O)Nc3cccc(N4CCCNC4=O)c3)C[C@@H]21	ZINC000329916172	537645198	/nfs/dbraw/zinc/64/51/98/537645198.db2.gz	DMVPOYVDUXPCTB-JKSUJKDBSA-N	1	0	359.430	1.371	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccccc2COC)CC1	ZINC000285176987	537648230	/nfs/dbraw/zinc/64/82/30/537648230.db2.gz	YLDPBLVEPVGMAQ-UHFFFAOYSA-N	1	0	359.470	1.606	20	30		FDEDRO
N#CC1(CS(=O)(=O)N2CCCC[C@@H]2CN2CCOCC2)CCCCC1	ZINC000330008398	537649532	/nfs/dbraw/zinc/64/95/32/537649532.db2.gz	GOUYTGXULYMPEW-QGZVFWFLSA-N	1	0	369.531	1.977	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](NC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)C1	ZINC000330028439	537649935	/nfs/dbraw/zinc/64/99/35/537649935.db2.gz	OMMNDEKNVSKORZ-GUYCJALGSA-N	1	0	366.462	1.247	20	30		FDEDRO
Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000330341811	537654080	/nfs/dbraw/zinc/65/40/80/537654080.db2.gz	ZTGRKFGFPJMAKL-ZVZYQTTQSA-N	1	0	361.490	1.855	20	30		FDEDRO
CC(C)(CNC(=O)N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)[NH+]1CCCCC1	ZINC000331197343	537666464	/nfs/dbraw/zinc/66/64/64/537666464.db2.gz	UYWSJEDDUJSJQL-CABCVRRESA-N	1	0	374.551	1.615	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCc2csc(C)n2)CC1	ZINC000285530826	537727237	/nfs/dbraw/zinc/72/72/37/537727237.db2.gz	HFBJIFLELFWTIM-UHFFFAOYSA-N	1	0	350.488	1.267	20	30		FDEDRO
CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1	ZINC000285560354	537730437	/nfs/dbraw/zinc/73/04/37/537730437.db2.gz	SMAJKJZRVXGIDP-IRXDYDNUSA-N	1	0	361.442	1.851	20	30		FDEDRO
CCNC(=O)OC[C@H]1CCCCN1CC(=O)NCc1ccc(C#N)cc1	ZINC000285624921	537738205	/nfs/dbraw/zinc/73/82/05/537738205.db2.gz	NMXGBVMUFBIRHH-QGZVFWFLSA-N	1	0	358.442	1.775	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1	ZINC000285653199	537742017	/nfs/dbraw/zinc/74/20/17/537742017.db2.gz	LUZXJKDCWUFXJD-LJQANCHMSA-N	1	0	363.465	1.919	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc(C#N)ccc2Cl)CC1	ZINC000285703389	537748082	/nfs/dbraw/zinc/74/80/82/537748082.db2.gz	SOMANKJXIDEAEF-UHFFFAOYSA-N	1	0	362.861	1.838	20	30		FDEDRO
CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C#N)C1	ZINC000285735890	537752794	/nfs/dbraw/zinc/75/27/94/537752794.db2.gz	VPOCOAZQRBSZKS-OAHLLOKOSA-N	1	0	364.471	1.243	20	30		FDEDRO
N#Cc1cc([N+](=O)[O-])ccc1N1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1	ZINC000366602830	537796454	/nfs/dbraw/zinc/79/64/54/537796454.db2.gz	VDCOVFCTDQDSKS-CQSZACIVSA-N	1	0	364.427	1.212	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)COc2cccc(Br)c2C#N)CC1	ZINC000416309951	537800147	/nfs/dbraw/zinc/80/01/47/537800147.db2.gz	CLRZXMTYLOSWQU-UHFFFAOYSA-N	1	0	352.232	1.910	20	30		FDEDRO
CN(CCC#N)C(=O)CCN1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21	ZINC000404199784	537805892	/nfs/dbraw/zinc/80/58/92/537805892.db2.gz	PFKSJQXTZLJRTG-WOJBJXKFSA-N	1	0	370.497	1.724	20	30		FDEDRO
N#Cc1cccc(CS(=O)(=O)N2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)c1	ZINC000366653423	537809626	/nfs/dbraw/zinc/80/96/26/537809626.db2.gz	MYAJUAUFALWCRN-ZWKOTPCHSA-N	1	0	363.483	1.309	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1	ZINC000366679308	537821385	/nfs/dbraw/zinc/82/13/85/537821385.db2.gz	NHIHOMWCIIWGIZ-MOPGFXCFSA-N	1	0	364.534	1.637	20	30		FDEDRO
C=CCN(C(=O)[C@@H](C)N1CCN(C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000371833696	537833433	/nfs/dbraw/zinc/83/34/33/537833433.db2.gz	CNDHSUMNDQCIFH-TZIWHRDSSA-N	1	0	370.541	1.911	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)N1CCC(C[NH3+])CC1	ZINC000418910979	537839562	/nfs/dbraw/zinc/83/95/62/537839562.db2.gz	BJFHGYZIVFXTDY-UHFFFAOYSA-N	1	0	360.483	1.105	20	30		FDEDRO
C[C@]1(C[NH3+])CCN(C(=O)C(=O)NCCSCc2ccccc2C#N)C1	ZINC000418911895	537841647	/nfs/dbraw/zinc/84/16/47/537841647.db2.gz	CJADZERHCLKWHI-GOSISDBHSA-N	1	0	360.483	1.105	20	30		FDEDRO
N#Cc1cccc(-n2ccc(C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)n2)c1	ZINC000376129822	537842610	/nfs/dbraw/zinc/84/26/10/537842610.db2.gz	GVGNPWTWOYQJQE-SJORKVTESA-N	1	0	351.410	1.337	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1	ZINC000416446633	537843547	/nfs/dbraw/zinc/84/35/47/537843547.db2.gz	QCCLSNHDSOUMSI-OIISXLGYSA-N	1	0	356.536	1.497	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N(CC[NH+](C)C)C1CCCCC1	ZINC000409515639	537856474	/nfs/dbraw/zinc/85/64/74/537856474.db2.gz	UQYRDCPDTGVODX-UHFFFAOYSA-N	1	0	360.524	1.290	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N(CC[NH+](C)C)Cc1cccs1	ZINC000409523821	537858020	/nfs/dbraw/zinc/85/80/20/537858020.db2.gz	ZPEPMGXMALPSFQ-CQSZACIVSA-N	1	0	358.533	1.838	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)NCCC[N@H+](C)Cc1ccccc1	ZINC000409552905	537860253	/nfs/dbraw/zinc/86/02/53/537860253.db2.gz	LUJGVKAKILNQBX-INIZCTEOSA-N	1	0	352.504	1.824	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1	ZINC000411985756	537923486	/nfs/dbraw/zinc/92/34/86/537923486.db2.gz	SQKYOOZNTYLGLS-PYQAKABTSA-N	1	0	356.470	1.630	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[NH2+][C@@H](CO)[C@H]2CCCOC2)cc1Cl	ZINC000411992811	537927704	/nfs/dbraw/zinc/92/77/04/537927704.db2.gz	KMFGSDGSJUYWNO-BBRMVZONSA-N	1	0	351.834	1.917	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C	ZINC000377295107	537958174	/nfs/dbraw/zinc/95/81/74/537958174.db2.gz	GHRSFEXIZZDYBE-SOLBZPMBSA-N	1	0	364.515	1.965	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c(F)c1	ZINC000367630379	537966252	/nfs/dbraw/zinc/96/62/52/537966252.db2.gz	FDCQFVKVZAWLCX-ZQIUZPCESA-N	1	0	373.403	1.827	20	30		FDEDRO
COc1cccc([C@H](CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)[NH+](C)C)c1	ZINC000369219882	538005991	/nfs/dbraw/zinc/00/59/91/538005991.db2.gz	QHBQOIOSINJYNG-MJGOQNOKSA-N	1	0	371.485	1.680	20	30		FDEDRO
COC(=O)[C@H]1CN(C(=O)Nc2cc(C)c(N(C)C)cc2C#N)CC[N@H+](C)C1	ZINC000417154564	538012081	/nfs/dbraw/zinc/01/20/81/538012081.db2.gz	KLEVTYAFGLLJHO-OAHLLOKOSA-N	1	0	373.457	1.501	20	30		FDEDRO
Cc1cc(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c(C#N)cc1N(C)C	ZINC000417165683	538016684	/nfs/dbraw/zinc/01/66/84/538016684.db2.gz	WIAYELKEVLACTI-INIZCTEOSA-N	1	0	359.474	1.901	20	30		FDEDRO
COCCC[N@@H+]1CCCN(C(=O)NCc2ccc(OCC#N)cc2)CC1	ZINC000369658386	538043738	/nfs/dbraw/zinc/04/37/38/538043738.db2.gz	CVWZIYNWHHNYOG-UHFFFAOYSA-N	1	0	360.458	1.843	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@H](CC[NH3+])C(F)F)C2)c(F)c1	ZINC000417582296	538053876	/nfs/dbraw/zinc/05/38/76/538053876.db2.gz	VDPAPIOQEREWBV-GXTWGEPZSA-N	1	0	369.391	1.948	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@H](C(=O)N(C)C)C1)C(C)C	ZINC000413118421	538056697	/nfs/dbraw/zinc/05/66/97/538056697.db2.gz	UGIKLDHIXRSZOT-SJORKVTESA-N	1	0	350.507	1.805	20	30		FDEDRO
Cc1cc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)c(C#N)cc1[N+](=O)[O-]	ZINC000413120364	538058248	/nfs/dbraw/zinc/05/82/48/538058248.db2.gz	QOPSRPGOPPSLQK-UHFFFAOYSA-N	1	0	357.414	1.519	20	30		FDEDRO
C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(c2cccc(Cl)c2C#N)C1	ZINC000450468885	538130011	/nfs/dbraw/zinc/13/00/11/538130011.db2.gz	PKZNKEWXOGTWOO-GFCCVEGCSA-N	1	0	358.833	2.000	20	30		FDEDRO
CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C#N)n1C	ZINC000450817775	538158939	/nfs/dbraw/zinc/15/89/39/538158939.db2.gz	GEAWHQHWIFAOQF-HXUWFJFHSA-N	1	0	352.438	1.606	20	30		FDEDRO
COC(=O)CC1([NH2+]Cc2ccc(F)c(C#N)c2)CCS(=O)(=O)CC1	ZINC000439257178	538163294	/nfs/dbraw/zinc/16/32/94/538163294.db2.gz	FQBCSJOXSZXHER-UHFFFAOYSA-N	1	0	354.403	1.297	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1	ZINC000419999643	538183286	/nfs/dbraw/zinc/18/32/86/538183286.db2.gz	NCLPBEQWEJJYIH-QRQLOZEOSA-N	1	0	368.481	1.791	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1	ZINC000419999649	538183535	/nfs/dbraw/zinc/18/35/35/538183535.db2.gz	NCLPBEQWEJJYIH-UHOSZYNNSA-N	1	0	368.481	1.791	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+]	ZINC000420013734	538186674	/nfs/dbraw/zinc/18/66/74/538186674.db2.gz	JJOPGKIORBOINL-MSOLQXFVSA-N	1	0	354.454	1.707	20	30		FDEDRO
C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC(C)(C)CC#N)C1	ZINC000422262928	538195340	/nfs/dbraw/zinc/19/53/40/538195340.db2.gz	RVRQASBQAWDMNF-DOTOQJQBSA-N	1	0	356.470	1.994	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C	ZINC000420042788	538196774	/nfs/dbraw/zinc/19/67/74/538196774.db2.gz	QXTKTUZTAOLAJW-PBHICJAKSA-N	1	0	372.469	1.526	20	30		FDEDRO
COCCN(CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H]1CCCSC1	ZINC000433183025	538205745	/nfs/dbraw/zinc/20/57/45/538205745.db2.gz	QSVIXOMLWFAUFN-OAHLLOKOSA-N	1	0	369.512	1.571	20	30		FDEDRO
C=C(C)CN(C)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1	ZINC000420100945	538219322	/nfs/dbraw/zinc/21/93/22/538219322.db2.gz	NJHREFDTBJCNQU-XJKSGUPXSA-N	1	0	351.397	1.561	20	30		FDEDRO
CN1CCN(C)[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1	ZINC000433332035	538226342	/nfs/dbraw/zinc/22/63/42/538226342.db2.gz	RIQYDBGZNGDCDE-GOSISDBHSA-N	1	0	353.474	1.194	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1	ZINC000424115555	538238088	/nfs/dbraw/zinc/23/80/88/538238088.db2.gz	VNKFWQABCAJEPA-HNNXBMFYSA-N	1	0	366.824	1.785	20	30		FDEDRO
CC(C)(C)NS(=O)(=O)c1cc(NC(=O)[C@@H]([NH3+])CCCC#N)ccc1F	ZINC000424122299	538241269	/nfs/dbraw/zinc/24/12/69/538241269.db2.gz	JCBUFBNDDHYIMP-ZDUSSCGKSA-N	1	0	370.450	1.862	20	30		FDEDRO
COc1ccc(Cl)cc1NC(=O)CCNC(=O)[C@@H]([NH3+])CCCC#N	ZINC000424126423	538242963	/nfs/dbraw/zinc/24/29/63/538242963.db2.gz	TUFGQXYRFRUCGL-LBPRGKRZSA-N	1	0	352.822	1.815	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O	ZINC000424177464	538248931	/nfs/dbraw/zinc/24/89/31/538248931.db2.gz	UNHUHWQUMGYFQH-OLZOCXBDSA-N	1	0	368.359	1.948	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@](O)(C(F)F)C2)c(OC)c1	ZINC000451442468	538257442	/nfs/dbraw/zinc/25/74/42/538257442.db2.gz	WDLQTWZDFRYTJI-RDTXWAMCSA-N	1	0	357.397	1.865	20	30		FDEDRO
CC#CCCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1	ZINC000440698379	538268312	/nfs/dbraw/zinc/26/83/12/538268312.db2.gz	OYZITNOKEPOKTF-UHFFFAOYSA-N	1	0	351.834	1.749	20	30		FDEDRO
C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cccc(C#N)c3Br)[C@@H]2C1	ZINC000451591560	538282805	/nfs/dbraw/zinc/28/28/05/538282805.db2.gz	APAPLBVCOOYNDH-ZIAGYGMSSA-N	1	0	364.243	1.866	20	30		FDEDRO
COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000451593181	538283569	/nfs/dbraw/zinc/28/35/69/538283569.db2.gz	RZDNBROKKCOLAH-IXDOHACOSA-N	1	0	364.490	1.000	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c(F)c1	ZINC000433891644	538287053	/nfs/dbraw/zinc/28/70/53/538287053.db2.gz	DWQIHYUOZIHILK-AWEZNQCLSA-N	1	0	374.416	1.253	20	30		FDEDRO
N#C[C@H]1CC[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C1	ZINC000424550937	538326262	/nfs/dbraw/zinc/32/62/62/538326262.db2.gz	UHLFAFPYVYDTLL-MORSLUCNSA-N	1	0	350.422	1.764	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nn1	ZINC000424650242	538339063	/nfs/dbraw/zinc/33/90/63/538339063.db2.gz	UGPCWVDNYSSOOM-IYBDPMFKSA-N	1	0	361.490	1.816	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)c2ccc3n[nH]cc3c2)CC1	ZINC000560508888	545530377	/nfs/dbraw/zinc/53/03/77/545530377.db2.gz	MKEQNQPSOVDEAT-KXBFYZLASA-N	1	0	368.485	1.906	20	30		FDEDRO
C=CCn1cc(CNC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)nn1	ZINC000424909542	538357885	/nfs/dbraw/zinc/35/78/85/538357885.db2.gz	UPGURWPTJYMHAB-UHFFFAOYSA-N	1	0	368.485	1.925	20	30		FDEDRO
CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)C(=O)Nc2cccc(CC#N)c2)C1	ZINC000453794497	538456268	/nfs/dbraw/zinc/45/62/68/538456268.db2.gz	WUNUKPGITPBFMV-ROUUACIJSA-N	1	0	370.453	1.403	20	30		FDEDRO
C[C@]1(n2cc(C[NH2+]CCc3cccc(C#N)c3)cn2)CCS(=O)(=O)C1	ZINC000466422818	538543420	/nfs/dbraw/zinc/54/34/20/538543420.db2.gz	ALAWJPIOGARLCL-SFHVURJKSA-N	1	0	358.467	1.621	20	30		FDEDRO
COC(=O)C(C)(C)N1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1	ZINC000494477745	538548360	/nfs/dbraw/zinc/54/83/60/538548360.db2.gz	TXGWXWMSJFAXNB-UHFFFAOYSA-N	1	0	358.442	1.456	20	30		FDEDRO
N#C[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1	ZINC000461773483	538563567	/nfs/dbraw/zinc/56/35/67/538563567.db2.gz	PAGBCRBTMFBYDM-GDBMZVCRSA-N	1	0	372.494	1.982	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1	ZINC000472089458	538575445	/nfs/dbraw/zinc/57/54/45/538575445.db2.gz	UHCUYADZKODDJL-AWEZNQCLSA-N	1	0	373.501	1.351	20	30		FDEDRO
C[N@H+](CCCCO)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000472179852	538598411	/nfs/dbraw/zinc/59/84/11/538598411.db2.gz	CSFMQJFNVIENBR-HNNXBMFYSA-N	1	0	350.488	1.161	20	30		FDEDRO
CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000501002625	538598659	/nfs/dbraw/zinc/59/86/59/538598659.db2.gz	VIPZOSCLONFWHA-HNNXBMFYSA-N	1	0	357.451	1.474	20	30		FDEDRO
C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000472733974	538688111	/nfs/dbraw/zinc/68/81/11/538688111.db2.gz	JAQFUCILQGSYPO-CQSZACIVSA-N	1	0	368.478	1.143	20	30		FDEDRO
C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000472733969	538689492	/nfs/dbraw/zinc/68/94/92/538689492.db2.gz	JAQFUCILQGSYPO-AWEZNQCLSA-N	1	0	368.478	1.143	20	30		FDEDRO
C[C@@H](CCC#N)[NH+]1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000472773497	538697487	/nfs/dbraw/zinc/69/74/87/538697487.db2.gz	PBJMNBJPSMANQP-ZDUSSCGKSA-N	1	0	364.471	1.677	20	30		FDEDRO
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@@H]3C[C@H]2CS3)CC1	ZINC000459799848	538700103	/nfs/dbraw/zinc/70/01/03/538700103.db2.gz	YNRCMCYRVBQYJW-OKZBNKHCSA-N	1	0	374.485	1.724	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000459804726	538704770	/nfs/dbraw/zinc/70/47/70/538704770.db2.gz	CRNKNFNYYVSQDG-NRFANRHFSA-N	1	0	371.481	1.282	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCNc2cc[nH+]cc2)cc1	ZINC000483564092	538714101	/nfs/dbraw/zinc/71/41/01/538714101.db2.gz	QLLVLTWHUJSLOE-ZDUSSCGKSA-N	1	0	373.438	1.423	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CCC(C#N)CC1	ZINC000459956158	538715042	/nfs/dbraw/zinc/71/50/42/538715042.db2.gz	PROWFLMBWJFXSI-UHFFFAOYSA-N	1	0	360.433	1.478	20	30		FDEDRO
COCC1(C#N)CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)CC1	ZINC000478222769	538725168	/nfs/dbraw/zinc/72/51/68/538725168.db2.gz	CPJXFLGVLRAEQR-QGZVFWFLSA-N	1	0	365.522	1.220	20	30		FDEDRO
C[C@H]1CN(C(=O)NCc2cccc(C#N)c2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000485560267	538846242	/nfs/dbraw/zinc/84/62/42/538846242.db2.gz	HKVGGZHAIAXWCH-LPHOPBHVSA-N	1	0	355.486	1.726	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCCC[N@H+]1CCCC	ZINC000560793344	545606965	/nfs/dbraw/zinc/60/69/65/545606965.db2.gz	JAINQLCFJPPTPB-KURKYZTESA-N	1	0	365.518	1.855	20	30		FDEDRO
CC(C)CN1CCO[C@@H](C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000560966483	545639420	/nfs/dbraw/zinc/63/94/20/545639420.db2.gz	HNBFBCKICCQGPS-KRWDZBQOSA-N	1	0	365.499	1.278	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000561355947	545816644	/nfs/dbraw/zinc/81/66/44/545816644.db2.gz	RROVAQXIAXUIAK-INIZCTEOSA-N	1	0	351.491	1.609	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2nccn2C(F)F)CC1	ZINC000561414101	545838752	/nfs/dbraw/zinc/83/87/52/545838752.db2.gz	ZJIXNWNRYGHGEV-UHFFFAOYSA-N	1	0	355.389	1.003	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCC1CC[NH+](CC)CC1	ZINC000561488070	545872016	/nfs/dbraw/zinc/87/20/16/545872016.db2.gz	HSLFNFJWHGULSR-UHFFFAOYSA-N	1	0	368.481	1.921	20	30		FDEDRO
C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCN(c3cnccc3C#N)CC2)C1	ZINC000562930057	546315803	/nfs/dbraw/zinc/31/58/03/546315803.db2.gz	ANIZWGUWIMYCJQ-IAGOWNOFSA-N	1	0	356.474	1.658	20	30		FDEDRO
C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCN(c2cccc(C#N)n2)CC1	ZINC000562943240	546321556	/nfs/dbraw/zinc/32/15/56/546321556.db2.gz	IZBHVKBNQOYJFZ-KRWDZBQOSA-N	1	0	370.501	1.905	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)nc1	ZINC000562998248	546348867	/nfs/dbraw/zinc/34/88/67/546348867.db2.gz	DDIIBCCVSBWVER-SJORKVTESA-N	1	0	372.450	1.632	20	30		FDEDRO
Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2cccc(C#N)n2)o1	ZINC000563106348	546407543	/nfs/dbraw/zinc/40/75/43/546407543.db2.gz	MDAKMLVXHPAGEL-UHFFFAOYSA-N	1	0	355.398	1.384	20	30		FDEDRO
CC[NH+](CC)CCS(=O)(=O)N1CCN(c2snc(C)c2C#N)CC1	ZINC000563329918	546490974	/nfs/dbraw/zinc/49/09/74/546490974.db2.gz	CEUUZJASAVAEDC-UHFFFAOYSA-N	1	0	371.532	1.117	20	30		FDEDRO
CC(C)[NH2+]CCCNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000563478884	546551696	/nfs/dbraw/zinc/55/16/96/546551696.db2.gz	ZQPZJLWYLXVZNE-UHFFFAOYSA-N	1	0	364.449	1.924	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1	ZINC000563559314	546587922	/nfs/dbraw/zinc/58/79/22/546587922.db2.gz	VIPGMEJZBXKBOU-GOSISDBHSA-N	1	0	373.526	1.481	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1	ZINC000563605006	546609420	/nfs/dbraw/zinc/60/94/20/546609420.db2.gz	QWFOANAPNNCBCO-GOSISDBHSA-N	1	0	371.481	1.907	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1	ZINC000563617997	546617156	/nfs/dbraw/zinc/61/71/56/546617156.db2.gz	MSYHIAFSIGISKS-HIFRSBDPSA-N	1	0	354.857	1.854	20	30		FDEDRO
CCn1nccc1N1CCC[C@@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)C1=O	ZINC000563714058	546658979	/nfs/dbraw/zinc/65/89/79/546658979.db2.gz	NQBKBIMKNXLYSG-OAHLLOKOSA-N	1	0	364.413	1.103	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1	ZINC000563863475	546712363	/nfs/dbraw/zinc/71/23/63/546712363.db2.gz	KBQUPNNNOWTFQQ-BBWFWOEESA-N	1	0	370.515	1.268	20	30		FDEDRO
COC(=O)c1cccc(CN2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c1C#N	ZINC000564044648	546784799	/nfs/dbraw/zinc/78/47/99/546784799.db2.gz	QQSVAYSJQLQGGH-INIZCTEOSA-N	1	0	370.453	1.131	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)c1C#N	ZINC000564575607	546960476	/nfs/dbraw/zinc/96/04/76/546960476.db2.gz	RJQOBIRGXIQBAT-JSGCOSHPSA-N	1	0	362.503	1.638	20	30		FDEDRO
COc1cc(CNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)ccc1C#N	ZINC000564598112	546968151	/nfs/dbraw/zinc/96/81/51/546968151.db2.gz	NSBJPNKZJHAAEW-AWEZNQCLSA-N	1	0	360.458	1.553	20	30		FDEDRO
Cc1nnc2n1C[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)CC2	ZINC000564773771	547032128	/nfs/dbraw/zinc/03/21/28/547032128.db2.gz	XNBBTCYQLYRVNG-HNNXBMFYSA-N	1	0	359.455	1.084	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1	ZINC000565160963	547227709	/nfs/dbraw/zinc/22/77/09/547227709.db2.gz	FXZKNFPXTVYUIQ-UHFFFAOYSA-N	1	0	355.442	1.933	20	30		FDEDRO
C=CCn1cc(CNC(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)nn1	ZINC000565418576	547342254	/nfs/dbraw/zinc/34/22/54/547342254.db2.gz	YEFSSVIFOJHZDE-UHFFFAOYSA-N	1	0	358.450	1.557	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC1	ZINC000565521500	547382911	/nfs/dbraw/zinc/38/29/11/547382911.db2.gz	ZEPALTJXODYWRZ-RNIPGJKVSA-N	1	0	362.518	1.472	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1	ZINC000566063216	547584875	/nfs/dbraw/zinc/58/48/75/547584875.db2.gz	JIVYMYXDZZUBJX-KZNAEPCWSA-N	1	0	350.894	1.881	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCc3nnnn3CC2)c(OC)c1	ZINC000566119224	547613628	/nfs/dbraw/zinc/61/36/28/547613628.db2.gz	UQACLNIPWHBGTI-HOTGVXAUSA-N	1	0	373.457	1.145	20	30		FDEDRO
C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)Nc2cccc(C#N)n2)cc1	ZINC000566618832	547829621	/nfs/dbraw/zinc/82/96/21/547829621.db2.gz	JLLCWZGXFWXCIF-OAHLLOKOSA-N	1	0	355.398	1.899	20	30		FDEDRO
C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NCc3ccc(CC#N)cc3)C2)CC1	ZINC000566738121	547869508	/nfs/dbraw/zinc/86/95/08/547869508.db2.gz	MSACFFUJFCBSDQ-IBGZPJMESA-N	1	0	368.481	1.559	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1	ZINC000566963381	547945941	/nfs/dbraw/zinc/94/59/41/547945941.db2.gz	WEBZALXXOZINRF-HZMVEIRTSA-N	1	0	364.490	1.010	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N1CCC([N@@H+]2CCOC[C@@H]2C)CC1	ZINC000567062441	547983220	/nfs/dbraw/zinc/98/32/20/547983220.db2.gz	OIFSCCCOHCDYAO-KXBFYZLASA-N	1	0	357.454	1.957	20	30		FDEDRO
CN(C)[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1	ZINC000567680028	548208248	/nfs/dbraw/zinc/20/82/48/548208248.db2.gz	MYWQETPLAQFRNX-GOSISDBHSA-N	1	0	372.494	1.489	20	30		FDEDRO
CN(C)CC[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C(C)(C)C	ZINC000567689964	548214503	/nfs/dbraw/zinc/21/45/03/548214503.db2.gz	VCMFDENZQKFPCA-HNNXBMFYSA-N	1	0	352.504	1.683	20	30		FDEDRO
CO[C@@](C)(C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1	ZINC000567695792	548218070	/nfs/dbraw/zinc/21/80/70/548218070.db2.gz	CVLXYVOHSHBIMJ-SFHVURJKSA-N	1	0	359.451	1.878	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCO[C@H](C3CCCCC3)C2)CC1	ZINC000567878230	548304764	/nfs/dbraw/zinc/30/47/64/548304764.db2.gz	GDOFZRWCOIKUQW-SFHVURJKSA-N	1	0	363.502	1.561	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1	ZINC000568032701	548370746	/nfs/dbraw/zinc/37/07/46/548370746.db2.gz	NZVHSXMDJDUQJC-CQSZACIVSA-N	1	0	358.895	1.665	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCc2ccc(CC#N)cc2)C1	ZINC000568509535	548566950	/nfs/dbraw/zinc/56/69/50/548566950.db2.gz	NKTMXBFGEIPHTM-SFHVURJKSA-N	1	0	356.470	1.463	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1	ZINC000568732199	548654898	/nfs/dbraw/zinc/65/48/98/548654898.db2.gz	BNHXVITWVLPHGD-KRWDZBQOSA-N	1	0	366.456	1.725	20	30		FDEDRO
C[C@H]1CN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000568753337	548665985	/nfs/dbraw/zinc/66/59/85/548665985.db2.gz	OLDIYMBUMBVTJW-YJBOKZPZSA-N	1	0	357.458	1.924	20	30		FDEDRO
Cc1ccc(C[N@@H+]2CCCN(C(=O)Cn3cnc(C#N)cc3=O)CC2)cc1	ZINC000569102424	548796488	/nfs/dbraw/zinc/79/64/88/548796488.db2.gz	OJHZUQBVBGGZHE-UHFFFAOYSA-N	1	0	365.437	1.158	20	30		FDEDRO
N#Cc1cccc(OCCCN2C(=O)N[C@]3(CCCC[C@H]3C[NH3+])C2=O)c1	ZINC000569452301	548922663	/nfs/dbraw/zinc/92/26/63/548922663.db2.gz	IVNDBHVISFKXKZ-KXBFYZLASA-N	1	0	356.426	1.767	20	30		FDEDRO
N#Cc1cc2c(nc1NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)CCOC2	ZINC000569899371	549085884	/nfs/dbraw/zinc/08/58/84/549085884.db2.gz	GYKSNEFMUKLZPI-RTBURBONSA-N	1	0	364.449	2.073	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC(OCCCC)CC2)CC1	ZINC000569951876	549107280	/nfs/dbraw/zinc/10/72/80/549107280.db2.gz	TYXONKITCFWBFP-UHFFFAOYSA-N	1	0	351.491	1.561	20	30		FDEDRO
CC[NH2+]Cc1cccc(NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1	ZINC000570263487	549215206	/nfs/dbraw/zinc/21/52/06/549215206.db2.gz	DVGUEMBGXCOEPZ-UHFFFAOYSA-N	1	0	355.446	2.070	20	30		FDEDRO
C[N@H+](CCOCc1ccc(C#N)cc1)CCn1nc2ccccn2c1=O	ZINC000570360976	549252454	/nfs/dbraw/zinc/25/24/54/549252454.db2.gz	GFGGPTYGHKWOIP-UHFFFAOYSA-N	1	0	351.410	1.516	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H](OC)C[C@@H]3C[NH3+])cc2C1=O	ZINC000570443696	549280891	/nfs/dbraw/zinc/28/08/91/549280891.db2.gz	QFVMTVMUSXMLMO-KGLIPLIRSA-N	1	0	357.410	1.047	20	30		FDEDRO
COC(=O)c1cccc(C[N@@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)c1C#N	ZINC000570780238	549407646	/nfs/dbraw/zinc/40/76/46/549407646.db2.gz	JDUSLTJGCSIZFC-NRFANRHFSA-N	1	0	363.417	1.974	20	30		FDEDRO
CN(CCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)CC(F)(F)F	ZINC000571196049	549561893	/nfs/dbraw/zinc/56/18/93/549561893.db2.gz	CTFOFFXCZYAWOO-UHFFFAOYSA-N	1	0	364.393	1.201	20	30		FDEDRO
C[C@H]([NH2+][C@@H](CO)[C@@H]1CCCOC1)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000571263301	549583111	/nfs/dbraw/zinc/58/31/11/549583111.db2.gz	YEOQZSMEVQMLHL-ZOWXZIJZSA-N	1	0	363.483	1.813	20	30		FDEDRO
COC(=O)CC[N@H+](CCC(=O)Nc1cccc(C#N)c1)C[C@@H]1CCCO1	ZINC000571487510	549662074	/nfs/dbraw/zinc/66/20/74/549662074.db2.gz	QEXGOBUJNSXCAG-KRWDZBQOSA-N	1	0	359.426	1.931	20	30		FDEDRO
N#CCC[C@@H](NC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1	ZINC000571659641	549726289	/nfs/dbraw/zinc/72/62/89/549726289.db2.gz	OMDXKIFAZKBDEZ-YLJYHZDGSA-N	1	0	354.454	1.750	20	30		FDEDRO
C[NH+](C)C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)c1ccc(F)cc1	ZINC000572153582	549854451	/nfs/dbraw/zinc/85/44/51/549854451.db2.gz	DVSMCNNFEBZCTK-GOSISDBHSA-N	1	0	368.412	1.846	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C	ZINC000572196442	549862721	/nfs/dbraw/zinc/86/27/21/549862721.db2.gz	YSBSRCGFYYCTIW-BZSNNMDCSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](CCOC)c2ccc(C)o2)CC1	ZINC000572489071	549926861	/nfs/dbraw/zinc/92/68/61/549926861.db2.gz	BJOVYTKXPLPBKR-INIZCTEOSA-N	1	0	363.458	1.548	20	30		FDEDRO
CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(C#N)n1)[NH+]1CCCCCC1	ZINC000572519874	549934375	/nfs/dbraw/zinc/93/43/75/549934375.db2.gz	ZPQPGBYUEQCALF-INIZCTEOSA-N	1	0	357.458	1.909	20	30		FDEDRO
Cc1cc(NC(=O)CC[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)no1	ZINC000572595143	549950310	/nfs/dbraw/zinc/95/03/10/549950310.db2.gz	VUJKLVQEROIEIM-UHFFFAOYSA-N	1	0	369.425	2.558	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)NCc2ccc(CC#N)cc2)CC1	ZINC000572995503	550040948	/nfs/dbraw/zinc/04/09/48/550040948.db2.gz	GYMTUKVJLOOUOB-QGZVFWFLSA-N	1	0	357.502	1.825	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCc3ccc(C#N)cc32)C1	ZINC000573270844	550101221	/nfs/dbraw/zinc/10/12/21/550101221.db2.gz	LFSHRGBQVCSAJW-SFHVURJKSA-N	1	0	356.470	1.394	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1	ZINC000573477105	550147198	/nfs/dbraw/zinc/14/71/98/550147198.db2.gz	DSTCXXLJOMTKGF-SOLBZPMBSA-N	1	0	364.877	1.408	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1	ZINC000573638797	550182281	/nfs/dbraw/zinc/18/22/81/550182281.db2.gz	SAWVLEMAQSCACE-SFHVURJKSA-N	1	0	359.470	1.294	20	30		FDEDRO
Cc1noc(C)c1CO[C@@H]1CCN(Cc2cnc3c(C#N)cnn3c2)C1	ZINC000574400125	550308181	/nfs/dbraw/zinc/30/81/81/550308181.db2.gz	NCJBRGOTJCDZPN-MRXNPFEDSA-N	1	0	352.398	1.997	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C[C@@H]2CCCO2)C2CCCC2)CC1	ZINC000574406990	550309550	/nfs/dbraw/zinc/30/95/50/550309550.db2.gz	AQJNOCPRVJNIAB-SFHVURJKSA-N	1	0	363.502	1.703	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)CC1	ZINC000574605021	550340688	/nfs/dbraw/zinc/34/06/88/550340688.db2.gz	FBJBVDSZEIESQV-HZVKZAKPSA-N	1	0	356.514	1.823	20	30		FDEDRO
C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000574691961	550355292	/nfs/dbraw/zinc/35/52/92/550355292.db2.gz	YPYVPDLIUBTEHG-NXEZZACHSA-N	1	0	372.347	1.680	20	30		FDEDRO
C[NH+](C)CCc1ccc(CNC(=O)C(=O)Nc2sccc2C#N)cc1	ZINC000574776317	550368293	/nfs/dbraw/zinc/36/82/93/550368293.db2.gz	XWCXIICHRIHUEH-UHFFFAOYSA-N	1	0	356.451	1.979	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C)cc1	ZINC000574775979	550368358	/nfs/dbraw/zinc/36/83/58/550368358.db2.gz	LJXRIWDOBGTVIS-CYBMUJFWSA-N	1	0	361.446	1.247	20	30		FDEDRO
Cc1c(C(=O)N[C@@](C)(C#N)CN(C)C)nnn1-c1ccc(OC(C)C)cc1	ZINC000575049451	550415805	/nfs/dbraw/zinc/41/58/05/550415805.db2.gz	BZDUMFNVVLMGEQ-IBGZPJMESA-N	1	0	370.457	1.937	20	30		FDEDRO
CN1CC[NH+](CC2CCN(C(=O)NCc3ccc(CC#N)cc3)CC2)CC1	ZINC000576034147	550503814	/nfs/dbraw/zinc/50/38/14/550503814.db2.gz	NPERCVFWQAKHBG-UHFFFAOYSA-N	1	0	369.513	1.922	20	30		FDEDRO
N#CCCC1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1	ZINC000576040392	550504785	/nfs/dbraw/zinc/50/47/85/550504785.db2.gz	DBMRQTBIMROYAU-ZWKOTPCHSA-N	1	0	354.454	1.482	20	30		FDEDRO
C=CC[C@H]1N(C(=O)C(=O)N2CCC([NH2+]CCOC)CC2)CCCC1(C)C	ZINC000576115322	550512287	/nfs/dbraw/zinc/51/22/87/550512287.db2.gz	VARPYYOQESPTCS-QGZVFWFLSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1CC[NH+](CC(C)C)CC1	ZINC000576199410	550521794	/nfs/dbraw/zinc/52/17/94/550521794.db2.gz	CNZMEJSUSJFLKP-UHFFFAOYSA-N	1	0	358.494	1.736	20	30		FDEDRO
C[N@H+](CC1CC1)C[C@H]1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000576309165	550534337	/nfs/dbraw/zinc/53/43/37/550534337.db2.gz	RLPGOBCGDAVCTJ-QGZVFWFLSA-N	1	0	362.499	1.391	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1	ZINC000576696818	550576274	/nfs/dbraw/zinc/57/62/74/550576274.db2.gz	RNAGEDBEEVVBLD-QZTJIDSGSA-N	1	0	360.458	1.100	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]CCCNC(=O)c2ccccc2)cc1	ZINC000576864055	550594224	/nfs/dbraw/zinc/59/42/24/550594224.db2.gz	POEUSUKQUWDYGF-SFHVURJKSA-N	1	0	353.422	1.708	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3C[C@@H]4CC[NH2+]C[C@H]4C3)C2)c(F)c1	ZINC000577474681	550659642	/nfs/dbraw/zinc/65/96/42/550659642.db2.gz	GKUNZPLJNZYDKC-ULQDDVLXSA-N	1	0	371.460	1.917	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC1CCC([NH+](C)C)CC1	ZINC000577497841	550662964	/nfs/dbraw/zinc/66/29/64/550662964.db2.gz	XYAZNMGZSOSBCM-UHFFFAOYSA-N	1	0	367.457	2.442	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2cccnc2OCC)CC1	ZINC000577514995	550665087	/nfs/dbraw/zinc/66/50/87/550665087.db2.gz	YDONJWQLNNWRPR-UHFFFAOYSA-N	1	0	360.458	1.253	20	30		FDEDRO
COc1ccc(C(=O)NCCN2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)cc1	ZINC000577656141	550680577	/nfs/dbraw/zinc/68/05/77/550680577.db2.gz	QBMOFOBJFWLBMJ-AEFFLSMTSA-N	1	0	356.470	1.735	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@](C)(CO)C(C)C	ZINC000577666068	550681555	/nfs/dbraw/zinc/68/15/55/550681555.db2.gz	LZCFXRYCBHRRLS-LJQANCHMSA-N	1	0	364.490	1.948	20	30		FDEDRO
N#Cc1ccccc1CSCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000578064088	550724587	/nfs/dbraw/zinc/72/45/87/550724587.db2.gz	RZMNUZLMJLRXOR-INIZCTEOSA-N	1	0	361.427	1.547	20	30		FDEDRO
C=CCOc1ccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1	ZINC000578259547	550745907	/nfs/dbraw/zinc/74/59/07/550745907.db2.gz	OCGKUWMVDCCZRP-MRXNPFEDSA-N	1	0	353.488	1.612	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[C@H]1c1ccccc1	ZINC000578348167	550754807	/nfs/dbraw/zinc/75/48/07/550754807.db2.gz	QYHRFVGIYVVHTB-BDXSIMOUSA-N	1	0	352.438	1.105	20	30		FDEDRO
COC(=O)c1ccc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C)c(C#N)n1	ZINC000578668874	550789524	/nfs/dbraw/zinc/78/95/24/550789524.db2.gz	SMDZWTZIGGIUET-SNVBAGLBSA-N	1	0	358.427	1.487	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N[C@@H]2CCc3[nH]cnc3C2)c1	ZINC000578807697	550803816	/nfs/dbraw/zinc/80/38/16/550803816.db2.gz	ZYSGLNHSHKTZKK-CQSZACIVSA-N	1	0	367.409	1.704	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000578950804	550818061	/nfs/dbraw/zinc/81/80/61/550818061.db2.gz	OYTSAMWGNLQHJP-IRXDYDNUSA-N	1	0	357.458	1.846	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCN(c3ccccc3)C2=O)cc1	ZINC000579228593	550849791	/nfs/dbraw/zinc/84/97/91/550849791.db2.gz	UJDWNNXVQFMQRA-QUCCMNQESA-N	1	0	365.433	1.887	20	30		FDEDRO
N#CCc1cccc(C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1	ZINC000579252404	550852818	/nfs/dbraw/zinc/85/28/18/550852818.db2.gz	HLYFSOOROPTPLL-FUHWJXTLSA-N	1	0	354.454	1.473	20	30		FDEDRO
C[NH+]1CCN(c2cccc(C(=O)NCc3ccc(C#N)c(F)c3)n2)CC1	ZINC000579442332	550873338	/nfs/dbraw/zinc/87/33/38/550873338.db2.gz	IIWVCVVDSUZXNA-UHFFFAOYSA-N	1	0	353.401	1.774	20	30		FDEDRO
N#Cc1ccc(OC2CCC(NC(=O)N3CCO[C@H](C[NH3+])C3)CC2)nc1	ZINC000579453254	550874719	/nfs/dbraw/zinc/87/47/19/550874719.db2.gz	RWLHNWVXQQCPNB-UYSNPLJNSA-N	1	0	359.430	1.012	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C	ZINC000579522689	550882312	/nfs/dbraw/zinc/88/23/12/550882312.db2.gz	XEHKLULICJFIDL-UHFFFAOYSA-N	1	0	359.474	1.147	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O	ZINC000579582755	550888440	/nfs/dbraw/zinc/88/84/40/550888440.db2.gz	MVACYQUMOXLOEU-CJNGLKHVSA-N	1	0	368.840	1.380	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1	ZINC000579592847	550890038	/nfs/dbraw/zinc/89/00/38/550890038.db2.gz	JJWXKIMOLXWXAD-GOSISDBHSA-N	1	0	354.454	1.359	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)n2)c(F)c1	ZINC000579688604	550899452	/nfs/dbraw/zinc/89/94/52/550899452.db2.gz	UJDLTOCCRKOBDH-SOUVJXGZSA-N	1	0	368.416	2.393	20	30		FDEDRO
C[C@H](CC[NH+](C)C)NS(=O)(=O)c1cc(Br)ccc1C#N	ZINC000579740019	550905556	/nfs/dbraw/zinc/90/55/56/550905556.db2.gz	JDBFFVBRCMHCMC-SNVBAGLBSA-N	1	0	360.277	1.939	20	30		FDEDRO
CC1(C)[C@@H](O)C[C@@H]1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000579975653	550930381	/nfs/dbraw/zinc/93/03/81/550930381.db2.gz	YMVJIMOWYUEZKH-GJZGRUSLSA-N	1	0	354.372	1.922	20	30		FDEDRO
C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CCC(Oc2ncccc2C#N)CC1	ZINC000580192402	550953404	/nfs/dbraw/zinc/95/34/04/550953404.db2.gz	NAHSNFMEDPXVLK-SQHUISNBSA-N	1	0	373.457	1.001	20	30		FDEDRO
N#CCCC1CCN(C(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC1	ZINC000580773649	551017088	/nfs/dbraw/zinc/01/70/88/551017088.db2.gz	GICGSAQJMNNIHJ-GOSISDBHSA-N	1	0	354.454	1.613	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1	ZINC000581034312	551045070	/nfs/dbraw/zinc/04/50/70/551045070.db2.gz	UZSGXVJDCNBJEK-SFHVURJKSA-N	1	0	373.497	1.818	20	30		FDEDRO
Cn1ccnc1[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CCO1	ZINC000581067134	551048395	/nfs/dbraw/zinc/04/83/95/551048395.db2.gz	WTSAIJMWMLOGJG-NVXWUHKLSA-N	1	0	374.466	1.575	20	30		FDEDRO
CCC[NH+]1CCC(CNC(=O)N2CCN(c3cnccc3C#N)CC2)CC1	ZINC000581167423	551059140	/nfs/dbraw/zinc/05/91/40/551059140.db2.gz	MDLHMBVFMPVQAD-UHFFFAOYSA-N	1	0	370.501	1.907	20	30		FDEDRO
C[NH+](C)CCn1ccc(C(=O)NCCSCc2ccccc2C#N)n1	ZINC000581259777	551069182	/nfs/dbraw/zinc/06/91/82/551069182.db2.gz	USDHEOTUNVKJKC-UHFFFAOYSA-N	1	0	357.483	1.980	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Cc2c(F)cccc2C#N)CC1	ZINC000581479894	551093287	/nfs/dbraw/zinc/09/32/87/551093287.db2.gz	MOFFXTKDGIPDCG-QGZVFWFLSA-N	1	0	358.417	1.005	20	30		FDEDRO
CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F	ZINC000581538527	551101642	/nfs/dbraw/zinc/10/16/42/551101642.db2.gz	MNSSSFNJRDJRAT-OAHLLOKOSA-N	1	0	352.385	1.713	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C	ZINC000581718228	551126745	/nfs/dbraw/zinc/12/67/45/551126745.db2.gz	BJEPBAJINBDGBF-CZUORRHYSA-N	1	0	356.426	1.591	20	30		FDEDRO
CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000581809597	551135540	/nfs/dbraw/zinc/13/55/40/551135540.db2.gz	OEUQWKGMDYNMKO-LZLYRXPVSA-N	1	0	366.483	1.438	20	30		FDEDRO
Cn1nccc1[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CCO1	ZINC000582058387	551169940	/nfs/dbraw/zinc/16/99/40/551169940.db2.gz	ZEAWSGZVOUSSTE-UWVAXJGDSA-N	1	0	370.453	1.736	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)C1CCN(CC(F)(F)F)CC1	ZINC000582075824	551173006	/nfs/dbraw/zinc/17/30/06/551173006.db2.gz	QZBWDXHOUTVMLH-NWDGAFQWSA-N	1	0	364.412	1.639	20	30		FDEDRO
N#CCc1ccc(CS(=O)(=O)NCCC[NH2+]Cc2cccnc2)cc1	ZINC000582304608	551204731	/nfs/dbraw/zinc/20/47/31/551204731.db2.gz	VQCNZRDXVFDMFE-UHFFFAOYSA-N	1	0	358.467	1.747	20	30		FDEDRO
N#CCCC1CC[NH+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1	ZINC000582485097	551230820	/nfs/dbraw/zinc/23/08/20/551230820.db2.gz	XASQTCFAXQWXNI-KRWDZBQOSA-N	1	0	356.426	1.880	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(N3CCOCC3)nc2)cc1	ZINC000582720330	551259166	/nfs/dbraw/zinc/25/91/66/551259166.db2.gz	JYWFKQUDRIGXTF-GOSISDBHSA-N	1	0	368.437	1.319	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NCC1CC[NH2+]CC1	ZINC000582955112	551285161	/nfs/dbraw/zinc/28/51/61/551285161.db2.gz	KTHMZGBNMBAEEA-UHFFFAOYSA-N	1	0	360.414	1.225	20	30		FDEDRO
Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1	ZINC000583138859	551308987	/nfs/dbraw/zinc/30/89/87/551308987.db2.gz	MMHWTHNKNXLWAC-CYBMUJFWSA-N	1	0	360.483	1.903	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]CC1(N2CCSCC2)CCCCC1	ZINC000583258746	551326012	/nfs/dbraw/zinc/32/60/12/551326012.db2.gz	SGZUNVNUVMIJMB-KRWDZBQOSA-N	1	0	354.564	1.534	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]C[C@@H](CO)Cc3ccc(F)c(F)c3)cnc12	ZINC000583500438	551361976	/nfs/dbraw/zinc/36/19/76/551361976.db2.gz	WYSZEYGSROBDOD-ZDUSSCGKSA-N	1	0	357.364	1.820	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)Nc2cccc(C#N)n2)CC1	ZINC000583692291	551388653	/nfs/dbraw/zinc/38/86/53/551388653.db2.gz	SIGVZYQWCIAMBR-UHFFFAOYSA-N	1	0	372.473	1.701	20	30		FDEDRO
N#Cc1cccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)n1	ZINC000583692266	551388709	/nfs/dbraw/zinc/38/87/09/551388709.db2.gz	RNTPBLDYMSPJGY-FUHWJXTLSA-N	1	0	365.437	1.958	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1	ZINC000583714064	551391642	/nfs/dbraw/zinc/39/16/42/551391642.db2.gz	ZMXNAWNORASTEF-HOTGVXAUSA-N	1	0	351.491	1.322	20	30		FDEDRO
C[C@@H](C#N)C(=O)Nc1cccc(S(=O)(=O)NCCCC[NH+](C)C)c1	ZINC000583769741	551399701	/nfs/dbraw/zinc/39/97/01/551399701.db2.gz	SRTJPAQSSCSAKZ-ZDUSSCGKSA-N	1	0	352.460	1.405	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@](O)(C(=O)N3CCCC3)C2)cc1	ZINC000585803954	551607782	/nfs/dbraw/zinc/60/77/82/551607782.db2.gz	SWRCFNDCJDYVSD-FQEVSTJZSA-N	1	0	370.453	1.336	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1	ZINC000586851057	551625758	/nfs/dbraw/zinc/62/57/58/551625758.db2.gz	KKOHBPGKPQFRBK-INIZCTEOSA-N	1	0	368.481	1.919	20	30		FDEDRO
C[NH+]1CCC2(CCCN2C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1	ZINC000586859744	551626572	/nfs/dbraw/zinc/62/65/72/551626572.db2.gz	HIWNFRGEWGVUGI-UHFFFAOYSA-N	1	0	358.417	1.400	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCc2ccc(C#N)cc2F)C1	ZINC000586859275	551626683	/nfs/dbraw/zinc/62/66/83/551626683.db2.gz	YDEZAWFMFDXQTC-OAHLLOKOSA-N	1	0	360.433	1.408	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NCc1ccc(C#N)cc1F	ZINC000586863418	551627606	/nfs/dbraw/zinc/62/76/06/551627606.db2.gz	LZRUBWUYQHBXTQ-UHFFFAOYSA-N	1	0	372.400	1.497	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)c1cccc(C#N)c1	ZINC000587705112	551634282	/nfs/dbraw/zinc/63/42/82/551634282.db2.gz	QTTULJIARHNNQS-RWBZWWBESA-N	1	0	354.454	1.869	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(C#N)c1	ZINC000587700365	551634309	/nfs/dbraw/zinc/63/43/09/551634309.db2.gz	CSVVGESTMVASEF-JKSUJKDBSA-N	1	0	372.469	1.353	20	30		FDEDRO
CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)C1	ZINC000587706098	551634546	/nfs/dbraw/zinc/63/45/46/551634546.db2.gz	UXZVSNOGFCJHFY-DOTOQJQBSA-N	1	0	356.470	1.926	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(C#N)c1	ZINC000587715710	551634686	/nfs/dbraw/zinc/63/46/86/551634686.db2.gz	FZTCYXIOISPZJS-OAGGEKHMSA-N	1	0	372.469	1.351	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)N[C@H](C)c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C)C1	ZINC000587715650	551634797	/nfs/dbraw/zinc/63/47/97/551634797.db2.gz	FZNFZYGVGPEAOO-BZUAXINKSA-N	1	0	356.470	1.972	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)c1cccc(C#N)c1	ZINC000587727637	551635285	/nfs/dbraw/zinc/63/52/85/551635285.db2.gz	COJUKUSVWFVJRD-OAHLLOKOSA-N	1	0	356.470	1.974	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1cccc(C#N)c1	ZINC000587742013	551635563	/nfs/dbraw/zinc/63/55/63/551635563.db2.gz	ZPWLSBCUUVTGRY-BMGDILEWSA-N	1	0	354.454	1.678	20	30		FDEDRO
C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCCCC#N	ZINC000588052768	551643493	/nfs/dbraw/zinc/64/34/93/551643493.db2.gz	IGJVPWUAHYRDPB-KRWDZBQOSA-N	1	0	356.470	1.919	20	30		FDEDRO
CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@H](O)COc3ccc(C#N)cc3)[C@H]2C1	ZINC000588979365	551702999	/nfs/dbraw/zinc/70/29/99/551702999.db2.gz	QBKQHUOEOTYQDX-ZULIPRJHSA-N	1	0	357.454	1.535	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1ccc(C#N)c(F)c1	ZINC000589401389	551727284	/nfs/dbraw/zinc/72/72/84/551727284.db2.gz	PKTRZKBTQLFORP-UHFFFAOYSA-N	1	0	369.400	1.621	20	30		FDEDRO
N#Cc1cccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)n1	ZINC000589485372	551733134	/nfs/dbraw/zinc/73/31/34/551733134.db2.gz	LAMSXVGXAQOPFU-SFHVURJKSA-N	1	0	350.422	1.840	20	30		FDEDRO
N#Cc1ccc(CCC(=O)NC[C@H]2CCCN(Cc3ncon3)C2)cc1	ZINC000590362578	551775811	/nfs/dbraw/zinc/77/58/11/551775811.db2.gz	QTOQUBYKSGNZFB-QGZVFWFLSA-N	1	0	353.426	1.902	20	30		FDEDRO
N#Cc1ccc(NCC(=O)NC[C@@H]2CCCN(Cc3ncon3)C2)cc1	ZINC000590362531	551776076	/nfs/dbraw/zinc/77/60/76/551776076.db2.gz	OQAQKQRBFRUFMA-HNNXBMFYSA-N	1	0	354.414	1.382	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOC[C@@H]1[C@H]1CCC[N@H+]1C	ZINC000590403066	551780738	/nfs/dbraw/zinc/78/07/38/551780738.db2.gz	WOOKNTVJGRTNHR-QZTJIDSGSA-N	1	0	372.469	1.530	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOC[C@H]1[C@H]1CCC[N@H+]1C	ZINC000590403061	551780852	/nfs/dbraw/zinc/78/08/52/551780852.db2.gz	WOOKNTVJGRTNHR-MSOLQXFVSA-N	1	0	372.469	1.530	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21	ZINC000590442410	551784686	/nfs/dbraw/zinc/78/46/86/551784686.db2.gz	GMLCPXSFVDWOMO-PBHICJAKSA-N	1	0	352.442	1.313	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc(Br)cc(C#N)c3)C[C@@H]21	ZINC000590762571	551814041	/nfs/dbraw/zinc/81/40/41/551814041.db2.gz	NSLLNZHXBJBGAL-RISCZKNCSA-N	1	0	370.272	1.645	20	30		FDEDRO
CN(C)C(=O)N[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000590764171	551814383	/nfs/dbraw/zinc/81/43/83/551814383.db2.gz	CTRYDXRTJOHPJR-IRXDYDNUSA-N	1	0	360.458	1.228	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)C1=O	ZINC000591031745	551837398	/nfs/dbraw/zinc/83/73/98/551837398.db2.gz	CFHPRHIALOZPCA-IKGGRYGDSA-N	1	0	374.510	1.958	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1	ZINC000591073869	551841792	/nfs/dbraw/zinc/84/17/92/551841792.db2.gz	NZLBRSYPUJADER-QZTJIDSGSA-N	1	0	364.559	1.896	20	30		FDEDRO
C=CCOCC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000591170062	551848607	/nfs/dbraw/zinc/84/86/07/551848607.db2.gz	DWTMYCIFDMNBLU-GOSISDBHSA-N	1	0	358.486	1.645	20	30		FDEDRO
CC[C@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)CC[C@@H]1[NH3+]	ZINC000591304224	551859353	/nfs/dbraw/zinc/85/93/53/551859353.db2.gz	UKJRFKIWQRRXGJ-GJZGRUSLSA-N	1	0	374.441	1.108	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1	ZINC000591308275	551860141	/nfs/dbraw/zinc/86/01/41/551860141.db2.gz	FVSYISCVJBFRQQ-HOTGVXAUSA-N	1	0	370.453	1.744	20	30		FDEDRO
N#Cc1ccccc1OC1CCC(NC(=O)NC[C@@H]2C[NH2+]CCO2)CC1	ZINC000591351962	551865101	/nfs/dbraw/zinc/86/51/01/551865101.db2.gz	HUKZUTUJZBRNJG-JCYILVPMSA-N	1	0	358.442	1.536	20	30		FDEDRO
C[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000591374432	551866926	/nfs/dbraw/zinc/86/69/26/551866926.db2.gz	AKPBZLKZXKJFBY-KGLIPLIRSA-N	1	0	350.422	1.866	20	30		FDEDRO
CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000591470468	551873033	/nfs/dbraw/zinc/87/30/33/551873033.db2.gz	VSPNHIUDXOZSDJ-KRWDZBQOSA-N	1	0	356.474	1.658	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1	ZINC000591728334	551903682	/nfs/dbraw/zinc/90/36/82/551903682.db2.gz	OHMHTABJGPTRFI-GDBMZVCRSA-N	1	0	352.429	1.587	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)cc1	ZINC000591754192	551906146	/nfs/dbraw/zinc/90/61/46/551906146.db2.gz	HFOGFPNPZGIDBO-RTBURBONSA-N	1	0	371.481	1.873	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCN(c3ccccn3)C2)cc1	ZINC000591757004	551906628	/nfs/dbraw/zinc/90/66/28/551906628.db2.gz	NVTWQIRLCYKJQI-QZTJIDSGSA-N	1	0	352.438	1.756	20	30		FDEDRO
COc1ccc([C@@H](CNC(=O)N2CC[C@](O)(CC#N)C2)[NH+]2CCCC2)cc1	ZINC000591892834	551913757	/nfs/dbraw/zinc/91/37/57/551913757.db2.gz	UUWZVYPVFXMCSL-UYAOXDASSA-N	1	0	372.469	1.892	20	30		FDEDRO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1	ZINC000591984914	551923500	/nfs/dbraw/zinc/92/35/00/551923500.db2.gz	JYIVQHWAFMKDKL-LBPRGKRZSA-N	1	0	368.397	1.571	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)CC1	ZINC000592068625	551935400	/nfs/dbraw/zinc/93/54/00/551935400.db2.gz	GVZUOMJXWQGJSN-UHFFFAOYSA-N	1	0	369.487	1.737	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccc(CCNS(C)(=O)=O)cc2)CC1	ZINC000592069450	551935774	/nfs/dbraw/zinc/93/57/74/551935774.db2.gz	OACROCZJSKIRMB-UHFFFAOYSA-N	1	0	365.499	1.159	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CCn2cc(Br)ccc2=O)CC1	ZINC000592316909	551979108	/nfs/dbraw/zinc/97/91/08/551979108.db2.gz	HQORMQVTHVITID-UHFFFAOYSA-N	1	0	368.275	1.768	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)[C@H]([NH3+])c3cccc(Cl)c3)CC2)c1	ZINC000592444696	551996256	/nfs/dbraw/zinc/99/62/56/551996256.db2.gz	FMRKDFIFOMFSRX-QGZVFWFLSA-N	1	0	355.829	1.955	20	30		FDEDRO
CC(C)(CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C(N)=O	ZINC000593315074	552088456	/nfs/dbraw/zinc/08/84/56/552088456.db2.gz	VLRQPTGYPXOTTG-UHFFFAOYSA-N	1	0	357.458	1.333	20	30		FDEDRO
C[C@@H](Cn1cncn1)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593332643	552090850	/nfs/dbraw/zinc/09/08/50/552090850.db2.gz	DEKXDPKJTHCJTG-HNNXBMFYSA-N	1	0	367.457	1.502	20	30		FDEDRO
CCc1nnc(CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)[nH]1	ZINC000593406485	552104031	/nfs/dbraw/zinc/10/40/31/552104031.db2.gz	CWJLHKAJHRUAAN-UHFFFAOYSA-N	1	0	367.457	1.703	20	30		FDEDRO
Cc1cc(F)cc2c1ncc(C#N)c2N1CCN(CC[NH+](C)C)C(=O)C1	ZINC000593486118	552116095	/nfs/dbraw/zinc/11/60/95/552116095.db2.gz	KWNKXJHCUKCCRM-UHFFFAOYSA-N	1	0	355.417	1.764	20	30		FDEDRO
C[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)[C@@H]1CC[NH3+]	ZINC000593731391	552185667	/nfs/dbraw/zinc/18/56/67/552185667.db2.gz	VGBNTOQPXSUQMF-WCQYABFASA-N	1	0	352.416	1.604	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c(F)c1	ZINC000593766023	552193846	/nfs/dbraw/zinc/19/38/46/552193846.db2.gz	BGYGMEGOBDQZFK-ZQIUZPCESA-N	1	0	374.416	1.381	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1C#N	ZINC000593767738	552194554	/nfs/dbraw/zinc/19/45/54/552194554.db2.gz	SZCMUNVYQWTNEN-HDMKZQKVSA-N	1	0	370.453	1.550	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1	ZINC000593767842	552194597	/nfs/dbraw/zinc/19/45/97/552194597.db2.gz	VVAMPUNOEWHDFB-BQFCYCMXSA-N	1	0	370.453	1.436	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2cnc(C#N)n2)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1	ZINC000593772538	552195380	/nfs/dbraw/zinc/19/53/80/552195380.db2.gz	STJNQWBFZXNEHN-BZUAXINKSA-N	1	0	352.442	1.660	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CCCN(C(N)=O)C3)CC2)c1	ZINC000593883493	552216412	/nfs/dbraw/zinc/21/64/12/552216412.db2.gz	PFQHAHBEMBOCCR-KRWDZBQOSA-N	1	0	369.469	1.430	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1	ZINC000593919053	552225625	/nfs/dbraw/zinc/22/56/25/552225625.db2.gz	MVCWDXFGRSVGJE-LZLYRXPVSA-N	1	0	373.453	1.833	20	30		FDEDRO
C[NH+](C)CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)CCCCC#N	ZINC000593965521	552233759	/nfs/dbraw/zinc/23/37/59/552233759.db2.gz	SFMBGVCYQACXPT-GOSISDBHSA-N	1	0	356.470	1.702	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](OC3CCC3)C2)CC1	ZINC000594027156	552240874	/nfs/dbraw/zinc/24/08/74/552240874.db2.gz	RSAUKMCKFPMALB-RTBURBONSA-N	1	0	362.518	1.712	20	30		FDEDRO
Cn1cc(S(=O)(=O)NCC[NH2+]C2(c3ccc(C#N)cc3)CCC2)cn1	ZINC000594032109	552241706	/nfs/dbraw/zinc/24/17/06/552241706.db2.gz	PFGNFQJCOHCTCE-UHFFFAOYSA-N	1	0	359.455	1.239	20	30		FDEDRO
CCN(CC(=O)NC(C)C)C(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCC1	ZINC000594032698	552241781	/nfs/dbraw/zinc/24/17/81/552241781.db2.gz	LLYFQCHGPQATND-UHFFFAOYSA-N	1	0	356.470	1.900	20	30		FDEDRO
CC[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)[C@H]1CCCCO1	ZINC000594041925	552242950	/nfs/dbraw/zinc/24/29/50/552242950.db2.gz	KNASNQODQMTMDO-RCCFBDPRSA-N	1	0	350.507	1.616	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)nc1	ZINC000594284375	552277956	/nfs/dbraw/zinc/27/79/56/552277956.db2.gz	YNFYKVCTAISKDV-ZWKOTPCHSA-N	1	0	368.485	1.802	20	30		FDEDRO
CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@H]([NH3+])CCCCC#N	ZINC000594424553	552308100	/nfs/dbraw/zinc/30/81/00/552308100.db2.gz	AYTOLNHOCMETTM-OAHLLOKOSA-N	1	0	374.441	1.656	20	30		FDEDRO
CN(Cc1ccccc1)C(=O)N1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1	ZINC000594428721	552308535	/nfs/dbraw/zinc/30/85/35/552308535.db2.gz	OYTQBNLXLLAKGH-GOSISDBHSA-N	1	0	371.485	1.794	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)NCCCCN1C(=O)c2ccccc2C1=O	ZINC000594434742	552309418	/nfs/dbraw/zinc/30/94/18/552309418.db2.gz	SGBNHRFPVBRLMH-MRXNPFEDSA-N	1	0	356.426	1.590	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1	ZINC000594437044	552309691	/nfs/dbraw/zinc/30/96/91/552309691.db2.gz	SODDTUQNYFZPNP-MRXNPFEDSA-N	1	0	361.421	1.913	20	30		FDEDRO
CC(C)(C)c1nc(CN2CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC2)no1	ZINC000594439440	552310309	/nfs/dbraw/zinc/31/03/09/552310309.db2.gz	QMXFKLSNYMRQHN-CQSZACIVSA-N	1	0	362.478	1.423	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N1CCN(Cc2cn3ccccc3n2)CC1	ZINC000594441104	552311110	/nfs/dbraw/zinc/31/11/10/552311110.db2.gz	MVFKTOISXOLHFA-QGZVFWFLSA-N	1	0	354.458	1.390	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N1CCC(CNC(=O)c2ccccn2)CC1	ZINC000594443237	552311715	/nfs/dbraw/zinc/31/17/15/552311715.db2.gz	NSWNNDSBAQODBF-MRXNPFEDSA-N	1	0	357.458	1.461	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1	ZINC000594445278	552311773	/nfs/dbraw/zinc/31/17/73/552311773.db2.gz	COOQHTXACRRCRV-KRWDZBQOSA-N	1	0	372.469	1.513	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1	ZINC000594446072	552312098	/nfs/dbraw/zinc/31/20/98/552312098.db2.gz	PCEAFXPSNQTPBX-ROUUACIJSA-N	1	0	362.449	1.726	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H](c1cccs1)N1CCOCC1	ZINC000594446509	552312235	/nfs/dbraw/zinc/31/22/35/552312235.db2.gz	UUAVNBRZDGAPKS-CABCVRRESA-N	1	0	350.488	1.649	20	30		FDEDRO
COc1ccc(F)cc1CN1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1	ZINC000594446728	552312268	/nfs/dbraw/zinc/31/22/68/552312268.db2.gz	WZSKHATUTVSRJN-KRWDZBQOSA-N	1	0	362.449	1.890	20	30		FDEDRO
COC(=O)c1ccc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(C#N)n1	ZINC000594565428	552334423	/nfs/dbraw/zinc/33/44/23/552334423.db2.gz	ZBJPJNKSSYUMCL-MSOLQXFVSA-N	1	0	358.442	1.920	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1	ZINC000594645973	552348165	/nfs/dbraw/zinc/34/81/65/552348165.db2.gz	JUKWUCWSYMREOM-MRXNPFEDSA-N	1	0	363.483	1.365	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(N3C(=O)N4CC5CC4(C5)C3=O)CC2)c1	ZINC000594742302	552368126	/nfs/dbraw/zinc/36/81/26/552368126.db2.gz	QXHSUMIQPWEZIL-UHFFFAOYSA-N	1	0	350.422	1.949	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)NCC1CC[NH+](C2CCOCC2)CC1	ZINC000594800812	552389964	/nfs/dbraw/zinc/38/99/64/552389964.db2.gz	KXUWQGJDZBAHFS-OAHLLOKOSA-N	1	0	372.535	1.193	20	30		FDEDRO
CC(C)(CC#N)CS(=O)(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1	ZINC000594816549	552396667	/nfs/dbraw/zinc/39/66/67/552396667.db2.gz	IMSVYUXGTYNDKP-KRWDZBQOSA-N	1	0	365.499	1.612	20	30		FDEDRO
CCN(C(=O)C(=O)Nc1cc(C#N)ccc1OCCOC)[C@H]1CC[N@H+](C)C1	ZINC000595104730	552451434	/nfs/dbraw/zinc/45/14/34/552451434.db2.gz	SPIUVDZWAOZYPP-HNNXBMFYSA-N	1	0	374.441	1.075	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1C#N	ZINC000595112489	552454833	/nfs/dbraw/zinc/45/48/33/552454833.db2.gz	BQDAOJBSILGBHW-QRTARXTBSA-N	1	0	364.471	1.169	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N1CC[C@@H](F)[C@H]([NH3+])C1	ZINC000595121666	552458029	/nfs/dbraw/zinc/45/80/29/552458029.db2.gz	BZIJBHAHPVGSRM-GHMZBOCLSA-N	1	0	362.224	1.381	20	30		FDEDRO
CN(C(=O)C(=O)N1CC[C@](C)(C#N)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000595129439	552460680	/nfs/dbraw/zinc/46/06/80/552460680.db2.gz	MJLLQKBSNYKCTB-YLJYHZDGSA-N	1	0	354.454	1.481	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000595129650	552460829	/nfs/dbraw/zinc/46/08/29/552460829.db2.gz	GVQALODDQCQJMI-GOSISDBHSA-N	1	0	372.469	1.086	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)ccc1F	ZINC000595196136	552486548	/nfs/dbraw/zinc/48/65/48/552486548.db2.gz	HXHSSNMRVTVYHG-HNNXBMFYSA-N	1	0	360.389	1.005	20	30		FDEDRO
C=CCCSCCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000595271151	552509116	/nfs/dbraw/zinc/50/91/16/552509116.db2.gz	IIXGJXVSPINWCQ-HNNXBMFYSA-N	1	0	354.520	1.149	20	30		FDEDRO
N#CC1(CNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCCCC1	ZINC000595273675	552509494	/nfs/dbraw/zinc/50/94/94/552509494.db2.gz	PFBYQQGMUTZEGV-MRXNPFEDSA-N	1	0	361.490	1.314	20	30		FDEDRO
N#Cc1ccc(CCNC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)cc1	ZINC000595272833	552509586	/nfs/dbraw/zinc/50/95/86/552509586.db2.gz	FPLZSDGGLQCOBO-UHFFFAOYSA-N	1	0	355.486	1.616	20	30		FDEDRO
C[NH+](C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)c1cccnc1C#N	ZINC000595403556	552551201	/nfs/dbraw/zinc/55/12/01/552551201.db2.gz	DBSFIHLVLQLFOW-AWEZNQCLSA-N	1	0	364.471	1.217	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2C#N)CCO1	ZINC000595405071	552551498	/nfs/dbraw/zinc/55/14/98/552551498.db2.gz	SJKZZMSWUJZRCL-CYBMUJFWSA-N	1	0	371.890	1.943	20	30		FDEDRO
CC(C)(C)n1nnc(CCN2CCN([C@H](C#N)c3ccc(F)cc3)CC2)n1	ZINC000595428125	552557538	/nfs/dbraw/zinc/55/75/38/552557538.db2.gz	MGTVLQYVDKIQMZ-QGZVFWFLSA-N	1	0	371.464	1.992	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@](C)(C#N)C3)cn2)CC1	ZINC000595445001	552561478	/nfs/dbraw/zinc/56/14/78/552561478.db2.gz	QSAVPWZLRCYJOB-IBGZPJMESA-N	1	0	356.474	1.669	20	30		FDEDRO
CN(C(=O)CN1CCC[C@@H]([NH+]2CCOCC2)CC1)C1(C#N)CCCCC1	ZINC000595468946	552567017	/nfs/dbraw/zinc/56/70/17/552567017.db2.gz	FBZBCYRXAMWOSA-GOSISDBHSA-N	1	0	362.518	1.858	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H](N2CCC[C@@H]([NH+]3CCOCC3)CC2)C1=O	ZINC000595470549	552568073	/nfs/dbraw/zinc/56/80/73/552568073.db2.gz	OTPAADZWAWRXRB-SJORKVTESA-N	1	0	374.510	1.912	20	30		FDEDRO
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC(CO)([NH2+]CC(C)C)CC1	ZINC000595513608	552576318	/nfs/dbraw/zinc/57/63/18/552576318.db2.gz	XNPUUHMSAFPQQP-GOSISDBHSA-N	1	0	359.470	1.845	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)N1CCN(c2ccsc2C#N)CC1	ZINC000595520063	552578061	/nfs/dbraw/zinc/57/80/61/552578061.db2.gz	MHHBHNGUZZHGCI-UHFFFAOYSA-N	1	0	365.503	1.420	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH2+]C1(CC(=O)OC(C)(C)C)CCOCC1	ZINC000595540536	552581065	/nfs/dbraw/zinc/58/10/65/552581065.db2.gz	LXDBLHMCBNWKFQ-UHFFFAOYSA-N	1	0	353.463	1.619	20	30		FDEDRO
CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000595633279	552595670	/nfs/dbraw/zinc/59/56/70/552595670.db2.gz	OSLPOLFUMIHCTN-JZXOWHBKSA-N	1	0	366.483	1.488	20	30		FDEDRO
CC(C)(CNC(=O)C[NH2+]C(C)(C)c1cccc(C#N)c1)N1CCOCC1	ZINC000595634410	552595865	/nfs/dbraw/zinc/59/58/65/552595865.db2.gz	BXZAEWSORITQKR-UHFFFAOYSA-N	1	0	358.486	1.610	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)N2CCC[C@H](CC#N)C2)(N2CCOCC2)CC1	ZINC000595646259	552596625	/nfs/dbraw/zinc/59/66/25/552596625.db2.gz	QLLJROORJZFTPG-QGZVFWFLSA-N	1	0	363.506	1.118	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1	ZINC000595722649	552606636	/nfs/dbraw/zinc/60/66/36/552606636.db2.gz	GPRBCKWNPRWASZ-RDTXWAMCSA-N	1	0	351.447	1.039	20	30		FDEDRO
C=CCCSCCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000595726373	552607419	/nfs/dbraw/zinc/60/74/19/552607419.db2.gz	VOKVJCPPTVOOSS-UHFFFAOYSA-N	1	0	354.520	1.245	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@H+](CCN2CCOCC2)CC2CC2)cc1	ZINC000595806034	552618219	/nfs/dbraw/zinc/61/82/19/552618219.db2.gz	DMZFJWFSUCUUKT-IBGZPJMESA-N	1	0	359.470	1.342	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC000595863201	552625257	/nfs/dbraw/zinc/62/52/57/552625257.db2.gz	KZLJRZXTLWZKCZ-FXAWDEMLSA-N	1	0	370.497	1.853	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595970258	552640302	/nfs/dbraw/zinc/64/03/02/552640302.db2.gz	LBSHCVVANRVMAK-ZIAGYGMSSA-N	1	0	352.442	1.580	20	30		FDEDRO
C=C(C)C[NH+]1CCC(Nc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1	ZINC000596114220	552656567	/nfs/dbraw/zinc/65/65/67/552656567.db2.gz	AJUOKPKOSIVQMA-UHFFFAOYSA-N	1	0	354.432	1.695	20	30		FDEDRO
CCc1nc(C#N)cc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)n1	ZINC000596135755	552659075	/nfs/dbraw/zinc/65/90/75/552659075.db2.gz	LGTVRCGFARMIKV-WMZOPIPTSA-N	1	0	351.454	2.206	20	30		FDEDRO
CCc1nc(C#N)cc(N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1	ZINC000596209788	552664896	/nfs/dbraw/zinc/66/48/96/552664896.db2.gz	RDGJSINWURNVJW-FQEVSTJZSA-N	1	0	351.454	1.984	20	30		FDEDRO
CN(C(=O)NCCc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000596670951	552699538	/nfs/dbraw/zinc/69/95/38/552699538.db2.gz	GHYVYNANRWHMNV-HXUWFJFHSA-N	1	0	369.513	1.911	20	30		FDEDRO
C[NH+](C)C1(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CC1	ZINC000596785521	552710134	/nfs/dbraw/zinc/71/01/34/552710134.db2.gz	MEDLMDATMNNKCR-UHFFFAOYSA-N	1	0	370.432	1.608	20	30		FDEDRO
N#CCCCOc1cccnc1NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC000596846871	552717377	/nfs/dbraw/zinc/71/73/77/552717377.db2.gz	UHLRFEFIRVWDAC-MRXNPFEDSA-N	1	0	373.457	1.827	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC[C@@H](C)[NH+](C)C)cc1	ZINC000596877451	552720516	/nfs/dbraw/zinc/72/05/16/552720516.db2.gz	SPXHHPQAZOSKSE-CHWSQXEVSA-N	1	0	352.460	1.834	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc(F)c(C#N)c(F)c1	ZINC000597061164	552741105	/nfs/dbraw/zinc/74/11/05/552741105.db2.gz	OPTRVXJXYWGJNH-MRXNPFEDSA-N	1	0	364.396	1.509	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)c1ccc(C#N)cc1	ZINC000597183666	552758793	/nfs/dbraw/zinc/75/87/93/552758793.db2.gz	CJKOYBMLOVHXAY-MAUKXSAKSA-N	1	0	372.469	1.305	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)c(F)c1	ZINC000597246783	552765273	/nfs/dbraw/zinc/76/52/73/552765273.db2.gz	YIQNCEYIACWAND-UHFFFAOYSA-N	1	0	372.444	1.552	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3CC34CC[NH2+]CC4)C2=O)cc1	ZINC000597438895	552789536	/nfs/dbraw/zinc/78/95/36/552789536.db2.gz	FVXRZIZWQZZGMV-IRXDYDNUSA-N	1	0	367.453	1.495	20	30		FDEDRO
N#Cc1ccccc1N1CCCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1	ZINC000597438375	552789550	/nfs/dbraw/zinc/78/95/50/552789550.db2.gz	FEGRVRDBNUJQJV-GOSISDBHSA-N	1	0	353.470	1.922	20	30		FDEDRO
N#CC1(CC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CCOCC1	ZINC000597498415	552796060	/nfs/dbraw/zinc/79/60/60/552796060.db2.gz	UZWBIDUPRXAFPY-GOSISDBHSA-N	1	0	357.454	1.580	20	30		FDEDRO
C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C1	ZINC000597574314	552806946	/nfs/dbraw/zinc/80/69/46/552806946.db2.gz	PBIFHNPLFZJUEE-ICSRJNTNSA-N	1	0	356.470	1.442	20	30		FDEDRO
CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)CC1(C#N)CC1	ZINC000597654980	552818252	/nfs/dbraw/zinc/81/82/52/552818252.db2.gz	WUZMFEYYZAVJPL-UHFFFAOYSA-N	1	0	368.437	1.367	20	30		FDEDRO
CN1CC[NH+](CC2CN(C(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)C2)CC1	ZINC000597694762	552823263	/nfs/dbraw/zinc/82/32/63/552823263.db2.gz	NPKFDNPTSVOGMU-FQEVSTJZSA-N	1	0	367.497	1.233	20	30		FDEDRO
N#Cc1ccc(NCC(=O)NCC2CC[NH+](C3CCOCC3)CC2)cc1	ZINC000597877233	552842897	/nfs/dbraw/zinc/84/28/97/552842897.db2.gz	FCTCKXVGZIDTIR-UHFFFAOYSA-N	1	0	356.470	1.977	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCc2ccc(C#N)cc2)CC1=O	ZINC000597892586	552844475	/nfs/dbraw/zinc/84/44/75/552844475.db2.gz	WZFBROMECLWIEJ-RBUKOAKNSA-N	1	0	368.481	1.550	20	30		FDEDRO
N#Cc1ccc(OCC(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1	ZINC000597992733	552853903	/nfs/dbraw/zinc/85/39/03/552853903.db2.gz	XYTZHFRWPCEALO-LJQANCHMSA-N	1	0	365.433	1.820	20	30		FDEDRO
C[N@@H+]1CC[C@H](C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1	ZINC000598156647	552869768	/nfs/dbraw/zinc/86/97/68/552869768.db2.gz	MXSOXNOSXJCUFJ-KRWDZBQOSA-N	1	0	364.453	1.549	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[NH+]1CCN(Cc2ccc3c(c2)OCCO3)CC1	ZINC000598584952	552911647	/nfs/dbraw/zinc/91/16/47/552911647.db2.gz	KPVVLXKNNSBTMK-QGZVFWFLSA-N	1	0	359.470	1.876	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[NH+]1CCN(Cc2nc(N)c3ccccc3n2)CC1	ZINC000598593581	552912727	/nfs/dbraw/zinc/91/27/27/552912727.db2.gz	CHEMSWIAPCXEPD-OAHLLOKOSA-N	1	0	368.485	1.630	20	30		FDEDRO
CN1CCN(C(=O)CC2CC[NH+](C[C@H](O)CC(C)(C)C#N)CC2)CC1	ZINC000598597101	552913084	/nfs/dbraw/zinc/91/30/84/552913084.db2.gz	VMGWUUZHQHRNGN-QGZVFWFLSA-N	1	0	350.507	1.163	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)O1	ZINC000598739912	552929876	/nfs/dbraw/zinc/92/98/76/552929876.db2.gz	BSKBDUPVGVIGPC-DNVCBOLYSA-N	1	0	356.470	1.358	20	30		FDEDRO
C[C@@H]1CC[C@@H](NS(=O)(=O)c2cccc(Br)c2C#N)C[NH2+]1	ZINC000599106604	552968561	/nfs/dbraw/zinc/96/85/61/552968561.db2.gz	WQEKWHPYLQIOFU-NXEZZACHSA-N	1	0	358.261	1.740	20	30		FDEDRO
CCCCNC(=O)C1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1	ZINC000599252867	553003712	/nfs/dbraw/zinc/00/37/12/553003712.db2.gz	VUHZGPVTTLEDCG-QGZVFWFLSA-N	1	0	351.491	1.686	20	30		FDEDRO
COC(=O)[C@@H](C)C[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)C1CC1	ZINC000599280532	553013945	/nfs/dbraw/zinc/01/39/45/553013945.db2.gz	BEKMJWGKIOVZQK-AWEZNQCLSA-N	1	0	354.406	1.560	20	30		FDEDRO
CN(CC[N@H+](C)C[C@@H](O)COc1ccccc1C#N)C1CC[NH+](C)CC1	ZINC000599336100	553030323	/nfs/dbraw/zinc/03/03/23/553030323.db2.gz	GFEWVOTZVQGHNJ-LJQANCHMSA-N	1	0	360.502	1.256	20	30		FDEDRO
CS[C@@H]1CN(C[C@H](O)COc2ccccc2C#N)C[C@H]1[NH+]1CCCC1	ZINC000599371896	553038512	/nfs/dbraw/zinc/03/85/12/553038512.db2.gz	RNIQAQFADGVVEP-YQVWRLOYSA-N	1	0	361.511	1.810	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCOCC1	ZINC000599395753	553044277	/nfs/dbraw/zinc/04/42/77/553044277.db2.gz	KMEACKMKFKHXBB-OAHLLOKOSA-N	1	0	363.418	1.500	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC1CC=CC1	ZINC000599396661	553044715	/nfs/dbraw/zinc/04/47/15/553044715.db2.gz	XADDUJLUFLPRCG-UHFFFAOYSA-N	1	0	354.454	1.531	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)CCOCC1	ZINC000599396079	553044874	/nfs/dbraw/zinc/04/48/74/553044874.db2.gz	PHGQZMCGBYWUFT-MSOLQXFVSA-N	1	0	351.491	1.244	20	30		FDEDRO
C[N@@H+]1CCCC[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1	ZINC000599414403	553051608	/nfs/dbraw/zinc/05/16/08/553051608.db2.gz	CZBMTBMFFHGSNF-GFCCVEGCSA-N	1	0	352.416	1.477	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)CCOCC1	ZINC000599436385	553056173	/nfs/dbraw/zinc/05/61/73/553056173.db2.gz	JXQUIQISLDSNLM-FXAWDEMLSA-N	1	0	357.454	1.187	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)CCOCC1	ZINC000599440157	553057638	/nfs/dbraw/zinc/05/76/38/553057638.db2.gz	LYVMZALKYISENW-ROUUACIJSA-N	1	0	366.502	1.605	20	30		FDEDRO
CCOC(=O)CC1([NH2+]C[C@H](O)CC2(C#N)CCOCC2)CCOCC1	ZINC000599482375	553069622	/nfs/dbraw/zinc/06/96/22/553069622.db2.gz	SMJUTWXFBWGOBY-OAHLLOKOSA-N	1	0	354.447	1.150	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)CC1	ZINC000599513677	553077831	/nfs/dbraw/zinc/07/78/31/553077831.db2.gz	CKWAOIIUXMURGV-JYJNAYRXSA-N	1	0	356.461	1.902	20	30		FDEDRO
CCC1([NH+]2CCOCC2)CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC1	ZINC000599668975	553117725	/nfs/dbraw/zinc/11/77/25/553117725.db2.gz	JTLIQLZJJOIHTE-GOSISDBHSA-N	1	0	350.507	1.618	20	30		FDEDRO
COc1cc(NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c(F)cc1C#N	ZINC000599814775	553154474	/nfs/dbraw/zinc/15/44/74/553154474.db2.gz	LOBLRQNGRYRQCS-ZDUSSCGKSA-N	1	0	363.437	1.853	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)c1cccc(C#N)c1	ZINC000599873525	553164498	/nfs/dbraw/zinc/16/44/98/553164498.db2.gz	IRSZMQYLVURATI-CYBMUJFWSA-N	1	0	364.405	1.856	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)c1	ZINC000599891892	553169151	/nfs/dbraw/zinc/16/91/51/553169151.db2.gz	SNUSMIAYHHXVOQ-CYBMUJFWSA-N	1	0	364.352	1.499	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1	ZINC000599904017	553172189	/nfs/dbraw/zinc/17/21/89/553172189.db2.gz	SHYABQCELGRRRB-MRXNPFEDSA-N	1	0	374.416	1.253	20	30		FDEDRO
N#Cc1cccc(OC2CCN(C(=O)NCC3([NH3+])CCOCC3)CC2)c1	ZINC000599930289	553175508	/nfs/dbraw/zinc/17/55/08/553175508.db2.gz	HHLIJIVCAUZOOA-UHFFFAOYSA-N	1	0	358.442	1.619	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NCCOCCC[NH3+])CC2)c(Cl)c1	ZINC000599935727	553177262	/nfs/dbraw/zinc/17/72/62/553177262.db2.gz	USZQUPTYMHZKNS-UHFFFAOYSA-N	1	0	365.865	1.409	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1	ZINC000599943093	553180949	/nfs/dbraw/zinc/18/09/49/553180949.db2.gz	AWRNAOKRFFXTIT-UONOGXRCSA-N	1	0	368.359	1.160	20	30		FDEDRO
CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000599964471	553187779	/nfs/dbraw/zinc/18/77/79/553187779.db2.gz	KJJNVHBYJMDOJO-ZWKOTPCHSA-N	1	0	370.453	1.185	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(F)cc1C#N	ZINC000599971479	553189362	/nfs/dbraw/zinc/18/93/62/553189362.db2.gz	BOUOAUWWCXMWRE-LRDDRELGSA-N	1	0	374.416	1.587	20	30		FDEDRO
CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc(OC)c(C#N)cc1F	ZINC000599980564	553192164	/nfs/dbraw/zinc/19/21/64/553192164.db2.gz	AUSYAJHDDUSNEN-GFCCVEGCSA-N	1	0	364.421	1.881	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c(F)cc1C#N	ZINC000599981736	553192559	/nfs/dbraw/zinc/19/25/59/553192559.db2.gz	KMZPDJPLMWPWLM-CQSZACIVSA-N	1	0	374.416	1.778	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c(F)cc1C#N	ZINC000599984475	553193358	/nfs/dbraw/zinc/19/33/58/553193358.db2.gz	WLIDFFDTQOMGNN-CYBMUJFWSA-N	1	0	362.405	1.587	20	30		FDEDRO
C[NH+](C)[C@@H]1[C@H]2CN(C(=O)COc3cccc(Br)c3C#N)C[C@H]21	ZINC000599992163	553195423	/nfs/dbraw/zinc/19/54/23/553195423.db2.gz	QSHSGCPMTQRXFV-ATCWAGBWSA-N	1	0	364.243	1.718	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1	ZINC000600062386	553210984	/nfs/dbraw/zinc/21/09/84/553210984.db2.gz	JFBASQHWBIHFCG-HNNXBMFYSA-N	1	0	356.426	1.638	20	30		FDEDRO
C[C@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@H]1CCC(=O)N1	ZINC000600081140	553214859	/nfs/dbraw/zinc/21/48/59/553214859.db2.gz	JSIQJGLVXZPEQT-KBXCAEBGSA-N	1	0	354.454	1.554	20	30		FDEDRO
COC(=O)[C@@H]1CN(Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H](C)O1	ZINC000600199084	553229964	/nfs/dbraw/zinc/22/99/64/553229964.db2.gz	LQUDNIUIXWMMJV-PBHICJAKSA-N	1	0	369.425	1.621	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@H]1CCCC[N@@H+](C)C1	ZINC000600309873	553246986	/nfs/dbraw/zinc/24/69/86/553246986.db2.gz	DCRBXFLRFRXXGB-MRXNPFEDSA-N	1	0	368.485	1.999	20	30		FDEDRO
N#CCCn1ncc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)c1-c1ccccc1	ZINC000600532962	553281536	/nfs/dbraw/zinc/28/15/36/553281536.db2.gz	IYCNOYUXOJDDGT-MRXNPFEDSA-N	1	0	353.426	1.260	20	30		FDEDRO
C[C@H]1CN(c2ccc(C[NH2+]C[C@H](O)CC3(C#N)CCOCC3)cn2)CCO1	ZINC000600714769	553305885	/nfs/dbraw/zinc/30/58/85/553305885.db2.gz	COHRFKNPBWLFDZ-FUHWJXTLSA-N	1	0	374.485	1.468	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]CCN2CCN(c3ccccc3)CC2)CCOCC1	ZINC000600716485	553306388	/nfs/dbraw/zinc/30/63/88/553306388.db2.gz	GNYGASYIWGGJKO-FQEVSTJZSA-N	1	0	372.513	1.470	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCN1C(=O)c2ccccc2C1=O	ZINC000600719718	553306656	/nfs/dbraw/zinc/30/66/56/553306656.db2.gz	KFNKKXIPGNDACB-HNNXBMFYSA-N	1	0	365.389	1.184	20	30		FDEDRO
CCN(Cc1ccccc1)C(=O)C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1	ZINC000600721956	553306954	/nfs/dbraw/zinc/30/69/54/553306954.db2.gz	OVODFONMKOUGOK-SFHVURJKSA-N	1	0	359.470	1.696	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]CCc2csc(N3CCCC3)n2)CCOCC1	ZINC000600728103	553308174	/nfs/dbraw/zinc/30/81/74/553308174.db2.gz	RVGJUYXWSSAMJA-INIZCTEOSA-N	1	0	364.515	1.947	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@H]2CCCN(C3CCCCC3)C2=O)CCOCC1	ZINC000600735868	553309235	/nfs/dbraw/zinc/30/92/35/553309235.db2.gz	WDJFEFCKVLJAPY-ROUUACIJSA-N	1	0	363.502	1.971	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)CCOCC1	ZINC000600737703	553309397	/nfs/dbraw/zinc/30/93/97/553309397.db2.gz	IGSYYJQTQXSSEQ-SJLPKXTDSA-N	1	0	350.434	1.638	20	30		FDEDRO
Cn1c2ccccc2cc(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)c1=O	ZINC000600737400	553309430	/nfs/dbraw/zinc/30/94/30/553309430.db2.gz	DDVRFFZTZABFCS-KRWDZBQOSA-N	1	0	355.438	1.699	20	30		FDEDRO
Cc1cccc(OC[C@@H](O)C[NH2+]C[C@@H](O)COc2ccccc2C#N)c1	ZINC000600744973	553310215	/nfs/dbraw/zinc/31/02/15/553310215.db2.gz	QJSGCTRNENSCDS-ZWKOTPCHSA-N	1	0	356.422	1.636	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H](n2cccn2)C(F)(F)F)cc1	ZINC000600746031	553310469	/nfs/dbraw/zinc/31/04/69/553310469.db2.gz	KGGJOEIGHYXCPL-ZFWWWQNUSA-N	1	0	354.332	1.888	20	30		FDEDRO
CC(=O)NCc1ccc(C[NH2+]C[C@H](O)COc2ccccc2C#N)cc1	ZINC000600750072	553311024	/nfs/dbraw/zinc/31/10/24/553311024.db2.gz	UCZDANALHNKFCB-IBGZPJMESA-N	1	0	353.422	1.724	20	30		FDEDRO
C=CCOc1ccc(C[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)cc1	ZINC000600814160	553317829	/nfs/dbraw/zinc/31/78/29/553317829.db2.gz	MTENOZMJYCFEED-GOSISDBHSA-N	1	0	368.499	1.830	20	30		FDEDRO
N#Cc1cccc(OC2CC[NH+](C[C@@H](O)CC3(O)CCOCC3)CC2)c1	ZINC000600847238	553321393	/nfs/dbraw/zinc/32/13/93/553321393.db2.gz	YGVYYIMUTZSQDG-KRWDZBQOSA-N	1	0	360.454	1.694	20	30		FDEDRO
C[NH+](C)CCn1cc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cn1	ZINC000600946394	553329808	/nfs/dbraw/zinc/32/98/08/553329808.db2.gz	ULGWQCAZDWJFJH-UHFFFAOYSA-N	1	0	366.469	1.274	20	30		FDEDRO
N#Cc1ccccc1N1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1	ZINC000601334103	553378069	/nfs/dbraw/zinc/37/80/69/553378069.db2.gz	XHIKZFFJOXJBSF-UHFFFAOYSA-N	1	0	362.499	1.496	20	30		FDEDRO
C[NH+](C)CCCS(=O)(=O)NC1CCC(Oc2ncccc2C#N)CC1	ZINC000601400793	553394974	/nfs/dbraw/zinc/39/49/74/553394974.db2.gz	XYDRYEYMUKPDML-UHFFFAOYSA-N	1	0	366.487	1.514	20	30		FDEDRO
Cc1cc(F)cc(C#N)c1S(=O)(=O)NCCN(C)CCC[NH+](C)C	ZINC000601465331	553413371	/nfs/dbraw/zinc/41/33/71/553413371.db2.gz	UECMHZAIKJVVDF-UHFFFAOYSA-N	1	0	356.467	1.168	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cc(F)cc(C#N)c1)Cc1ccccc1	ZINC000602020755	553502301	/nfs/dbraw/zinc/50/23/01/553502301.db2.gz	UVZKFWKRMZUCSZ-GOSISDBHSA-N	1	0	368.412	1.925	20	30		FDEDRO
C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cc(F)cc(C#N)c1	ZINC000602026586	553503332	/nfs/dbraw/zinc/50/33/32/553503332.db2.gz	ZAQIVCMCLUBOJE-SFHVURJKSA-N	1	0	368.412	1.925	20	30		FDEDRO
C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CCC[C@H](CC#N)C3)cn2)CC1	ZINC000602050465	553508372	/nfs/dbraw/zinc/50/83/72/553508372.db2.gz	IPGHTTSAOAUTBL-CQSZACIVSA-N	1	0	358.446	1.241	20	30		FDEDRO
CN1CCCC[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1=O	ZINC000602071754	553513214	/nfs/dbraw/zinc/51/32/14/553513214.db2.gz	KEFBJKSHSCIYDH-GOSISDBHSA-N	1	0	356.470	1.707	20	30		FDEDRO
C[N@H+](CCc1ccccc1)CC(=O)N(CCC#N)CCN1CCOCC1	ZINC000602084732	553516316	/nfs/dbraw/zinc/51/63/16/553516316.db2.gz	CYMFNLBHMOAUSG-UHFFFAOYSA-N	1	0	358.486	1.235	20	30		FDEDRO
Cn1cnc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1=O	ZINC000602179130	553534370	/nfs/dbraw/zinc/53/43/70/553534370.db2.gz	YYCYNJJDCSEMQC-UHFFFAOYSA-N	1	0	351.410	1.046	20	30		FDEDRO
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCN(c2ccsc2C#N)CC1	ZINC000602179242	553534880	/nfs/dbraw/zinc/53/48/80/553534880.db2.gz	QRLVTPZYBFDIGO-UHFFFAOYSA-N	1	0	362.499	1.627	20	30		FDEDRO
CC1([NH+]2CCCC2)CCN(C(=O)C(=O)NCc2cccc(C#N)c2)CC1	ZINC000602233412	553544502	/nfs/dbraw/zinc/54/45/02/553544502.db2.gz	ZQUYRCDOGGZDFC-UHFFFAOYSA-N	1	0	354.454	1.651	20	30		FDEDRO
COc1cccc([C@@H]([NH3+])C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1	ZINC000602421205	553579013	/nfs/dbraw/zinc/57/90/13/553579013.db2.gz	KSCQVOOUENIGOF-GOSISDBHSA-N	1	0	351.410	1.310	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1	ZINC000602541567	553602290	/nfs/dbraw/zinc/60/22/90/553602290.db2.gz	QFQMTXPMOUFVSO-OLZOCXBDSA-N	1	0	371.359	1.931	20	30		FDEDRO
Cn1cc(C[N@@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)c(-c2ccc(C#N)cc2)n1	ZINC000602725939	553627967	/nfs/dbraw/zinc/62/79/67/553627967.db2.gz	RRZBYGCMNKIISQ-BGYRXZFFSA-N	1	0	363.421	1.443	20	30		FDEDRO
N#Cc1cccc(NC(=O)C2CC[NH+](C[C@H]3CCc4ncnn43)CC2)c1	ZINC000602791661	553639803	/nfs/dbraw/zinc/63/98/03/553639803.db2.gz	RGUPRPRTZQVZFS-QGZVFWFLSA-N	1	0	350.426	1.988	20	30		FDEDRO
C[C@@H]1CN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@@H](C)N1CC#N	ZINC000602852266	553651379	/nfs/dbraw/zinc/65/13/79/553651379.db2.gz	ARGYICSRWNNHLV-LMMKCTJWSA-N	1	0	357.502	1.324	20	30		FDEDRO
CC(=O)Nc1ccc(OC[C@H](O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)cc1	ZINC000602858561	553652664	/nfs/dbraw/zinc/65/26/64/553652664.db2.gz	SYEMIODHSXMHPP-IIDMSEBBSA-N	1	0	360.458	1.303	20	30		FDEDRO
CS(=O)(=O)N1CC[C@H](C[NH+]2CCC(Nc3ccccc3C#N)CC2)C1	ZINC000602900228	553664646	/nfs/dbraw/zinc/66/46/46/553664646.db2.gz	MVUBRKSXAKXXPF-OAHLLOKOSA-N	1	0	362.499	1.716	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000602899786	553664675	/nfs/dbraw/zinc/66/46/75/553664675.db2.gz	RBRIYUPVPZCTNF-GOSISDBHSA-N	1	0	371.485	1.785	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCN(C)C[C@H]1CO	ZINC000602904671	553665152	/nfs/dbraw/zinc/66/51/52/553665152.db2.gz	JNMWZUAJJDRBDM-CABCVRRESA-N	1	0	362.499	1.485	20	30		FDEDRO
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCN(C)C[C@H]1CO	ZINC000602905361	553665928	/nfs/dbraw/zinc/66/59/28/553665928.db2.gz	NLOCRKXOKQSBNV-GJZGRUSLSA-N	1	0	362.499	1.628	20	30		FDEDRO
C[NH+](C)C[C@@H]1COC2(CCCC2)CN1CC(=O)NCc1ccc(C#N)cc1	ZINC000602912304	553667756	/nfs/dbraw/zinc/66/77/56/553667756.db2.gz	IPWKVBRTQAMQCQ-LJQANCHMSA-N	1	0	370.497	1.750	20	30		FDEDRO
N#Cc1ccc(C2([NH2+]C[C@H](O)CC3(O)CCOCC3)CCOCC2)cc1	ZINC000602916415	553668644	/nfs/dbraw/zinc/66/86/44/553668644.db2.gz	UAJFPUQPMMJYCF-GOSISDBHSA-N	1	0	360.454	1.446	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@](COC)(C(=O)OC(C)(C)C)C1	ZINC000602960820	553681116	/nfs/dbraw/zinc/68/11/16/553681116.db2.gz	IUSNBFRNBHTJNL-DNVCBOLYSA-N	1	0	367.490	1.675	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@@H](N2C[C@@H](CO)[C@H](C(F)(F)F)C2)C1=O	ZINC000602987606	553686794	/nfs/dbraw/zinc/68/67/94/553686794.db2.gz	LWYCKPCIHDPCQW-QJPTWQEYSA-N	1	0	359.373	1.828	20	30		FDEDRO
N#CCc1cccc(NC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)c1	ZINC000603033565	553698308	/nfs/dbraw/zinc/69/83/08/553698308.db2.gz	KGRXJOFUHIJQRY-IBGZPJMESA-N	1	0	371.485	1.671	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(F)c1S(C)(=O)=O	ZINC000603040819	553699058	/nfs/dbraw/zinc/69/90/58/553699058.db2.gz	HGWBDPLKYBHGDD-UHFFFAOYSA-N	1	0	370.450	1.928	20	30		FDEDRO
N#Cc1cc(Br)ccc1CC(=O)N[C@H](CO)C[NH+]1CCCC1	ZINC000603051412	553701267	/nfs/dbraw/zinc/70/12/67/553701267.db2.gz	CSFBHIDODXCOSN-HNNXBMFYSA-N	1	0	366.259	1.436	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](C(=O)N[C@@H](CO)C[NH+]3CCCC3)C2)c(F)c1	ZINC000603051748	553701668	/nfs/dbraw/zinc/70/16/68/553701668.db2.gz	DTKWMHSKRICQCW-HZPDHXFCSA-N	1	0	360.433	1.097	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](C(=O)N[C@H](CO)C[NH+]3CCCC3)C2)c(F)c1	ZINC000603051738	553701754	/nfs/dbraw/zinc/70/17/54/553701754.db2.gz	DTKWMHSKRICQCW-CVEARBPZSA-N	1	0	360.433	1.097	20	30		FDEDRO
N#Cc1ccc(Cl)cc1NC(=O)Cn1cc(C[C@H]2CCC[NH2+]C2)nn1	ZINC000603161256	553718002	/nfs/dbraw/zinc/71/80/02/553718002.db2.gz	JLKJLQAPWXUJMV-GFCCVEGCSA-N	1	0	358.833	1.984	20	30		FDEDRO
COCC[C@H]([NH3+])Cc1cn(Cc2ccc(C#N)cc2Br)nn1	ZINC000603243013	553740984	/nfs/dbraw/zinc/74/09/84/553740984.db2.gz	GZZDVSLXSUTZAF-ZDUSSCGKSA-N	1	0	364.247	1.867	20	30		FDEDRO
COC[C@@H]([NH3+])Cc1cn(Cc2ccc(C#N)cc2Br)nn1	ZINC000603244316	553741278	/nfs/dbraw/zinc/74/12/78/553741278.db2.gz	SOIJYUCHRYJHAE-LBPRGKRZSA-N	1	0	350.220	1.477	20	30		FDEDRO
COCC[NH2+]Cc1ccn(Cc2cn(CCc3ccc(C#N)cc3)nn2)n1	ZINC000603248155	553741829	/nfs/dbraw/zinc/74/18/29/553741829.db2.gz	QLGYRUUFLLLRPC-UHFFFAOYSA-N	1	0	365.441	1.373	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(c3c(C#N)cnn3-c3ccccc3)C2)CC1	ZINC000603293328	553756687	/nfs/dbraw/zinc/75/66/87/553756687.db2.gz	WNNDXZJCJCKMCM-LJQANCHMSA-N	1	0	350.470	1.960	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1N1C[C@H](SC)[C@@H]([NH+](C)C)C1	ZINC000603331369	553765136	/nfs/dbraw/zinc/76/51/36/553765136.db2.gz	RTEHAGOIKMYVLS-GJZGRUSLSA-N	1	0	355.529	1.633	20	30		FDEDRO
COc1ccc([C@@H](CNC(=O)Cn2cc(C#N)nn2)[NH+]2CCCCC2)cc1	ZINC000603334888	553766026	/nfs/dbraw/zinc/76/60/26/553766026.db2.gz	VHHFMYNICJVZNK-GOSISDBHSA-N	1	0	368.441	1.502	20	30		FDEDRO
N#Cc1ccn(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c(=O)c1	ZINC000603348373	553768319	/nfs/dbraw/zinc/76/83/19/553768319.db2.gz	QAIAXUVTUBSPEL-UHFFFAOYSA-N	1	0	368.462	1.907	20	30		FDEDRO
Cc1ccc(C(=O)NCC[NH2+]C[C@H](O)COc2ccccc2C#N)cc1	ZINC000603853587	553821029	/nfs/dbraw/zinc/82/10/29/553821029.db2.gz	GPUDANJVGYIINZ-SFHVURJKSA-N	1	0	353.422	1.626	20	30		FDEDRO
C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	ZINC000604130649	553844780	/nfs/dbraw/zinc/84/47/80/553844780.db2.gz	UAIYQNSYHZWZJL-UHFFFAOYSA-N	1	0	367.409	1.752	20	30		FDEDRO
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CNc2ccc(C#N)cc2)CC1	ZINC000604539129	553886413	/nfs/dbraw/zinc/88/64/13/553886413.db2.gz	NSMMLZQZDNJWEA-QZTJIDSGSA-N	1	0	369.513	1.987	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCC[NH+]2CCCCC2)cc1	ZINC000606002233	554034205	/nfs/dbraw/zinc/03/42/05/554034205.db2.gz	JMVWTIOGYRNWKT-UHFFFAOYSA-N	1	0	373.457	1.535	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1	ZINC000608888336	554327337	/nfs/dbraw/zinc/32/73/37/554327337.db2.gz	IEHFCLSBHZVZMK-LJQANCHMSA-N	1	0	362.433	1.679	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCOC[C@@H]1CCOC1	ZINC000609471510	554380466	/nfs/dbraw/zinc/38/04/66/554380466.db2.gz	DDIIWFONNDGLTN-LJQANCHMSA-N	1	0	374.485	1.685	20	30		FDEDRO
N#C[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CCN1Cc1ccccc1	ZINC000609642201	554407238	/nfs/dbraw/zinc/40/72/38/554407238.db2.gz	DDOHAVQSZAVPNM-MJGOQNOKSA-N	1	0	353.470	1.643	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@](C)(CO)c1cccc(C(F)(F)F)c1	ZINC000609799947	554422980	/nfs/dbraw/zinc/42/29/80/554422980.db2.gz	UWKRXXJLWACINI-HNNXBMFYSA-N	1	0	359.348	1.514	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[NH+](C(C)(C)CO)CC2)c1	ZINC000609846000	554428418	/nfs/dbraw/zinc/42/84/18/554428418.db2.gz	VFDSTBOZFSMABT-UHFFFAOYSA-N	1	0	372.513	1.939	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1	ZINC000609848085	554429129	/nfs/dbraw/zinc/42/91/29/554429129.db2.gz	WOXJUSQBPSUDBC-GOSISDBHSA-N	1	0	362.518	1.714	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[N@H+](C[C@H]2CCCO2)CC1	ZINC000610002542	554448146	/nfs/dbraw/zinc/44/81/46/554448146.db2.gz	QURVPVQRDYSTOV-QZTJIDSGSA-N	1	0	362.518	1.904	20	30		FDEDRO
C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(C#N)c1	ZINC000610350680	554494603	/nfs/dbraw/zinc/49/46/03/554494603.db2.gz	VRIABVFXZUDPCW-WMLDXEAASA-N	1	0	357.458	1.506	20	30		FDEDRO
COC1CC[NH+](CCNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC1	ZINC000610573097	554532607	/nfs/dbraw/zinc/53/26/07/554532607.db2.gz	XUFCYAGVERRGEL-IBGZPJMESA-N	1	0	356.470	1.754	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1cccc(C#N)c1	ZINC000610846731	554570489	/nfs/dbraw/zinc/57/04/89/554570489.db2.gz	LDMURYDTLRWPCQ-YJBOKZPZSA-N	1	0	369.469	1.567	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]2C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1	ZINC000610913137	554580235	/nfs/dbraw/zinc/58/02/35/554580235.db2.gz	BEEQTVSBCLOAPV-UXHICEINSA-N	1	0	368.481	1.897	20	30		FDEDRO
COC[C@@](C)(C#N)NC(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C	ZINC000610925192	554581669	/nfs/dbraw/zinc/58/16/69/554581669.db2.gz	IIIZMYPDYLJHQU-LJQANCHMSA-N	1	0	368.441	1.222	20	30		FDEDRO
Cc1nnc2n1C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)CC2	ZINC000611014412	554594163	/nfs/dbraw/zinc/59/41/63/554594163.db2.gz	NJWJSMIAMBVINL-GOSISDBHSA-N	1	0	366.469	1.611	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)cc1	ZINC000611037884	554598954	/nfs/dbraw/zinc/59/89/54/554598954.db2.gz	WOEBMQOQHHWWEE-QZTJIDSGSA-N	1	0	355.442	1.496	20	30		FDEDRO
C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000611388779	554630398	/nfs/dbraw/zinc/63/03/98/554630398.db2.gz	SNCNFUUYIJFYCY-QWHCGFSZSA-N	1	0	372.450	1.883	20	30		FDEDRO
CCOC(=O)c1cnn(C)c1NC(=O)C[NH2+][C@@H](C)c1cccc(C#N)c1	ZINC000611387600	554630505	/nfs/dbraw/zinc/63/05/05/554630505.db2.gz	QHTOXHJPKNMASJ-LBPRGKRZSA-N	1	0	355.398	1.758	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CC[C@@](F)(C#N)C3)cc2)CC1	ZINC000615534383	555208907	/nfs/dbraw/zinc/20/89/07/555208907.db2.gz	ABBDIWSKWMQIOM-HXUWFJFHSA-N	1	0	373.476	1.971	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(S(=O)(=O)CC2(C#N)CCC2)CC1	ZINC000616175629	555278411	/nfs/dbraw/zinc/27/84/11/555278411.db2.gz	VGKBGGLAARZOFE-CALCHBBNSA-N	1	0	368.547	1.500	20	30		FDEDRO
CC[C@]1([NH2+]CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCOC1	ZINC000616865970	555350572	/nfs/dbraw/zinc/35/05/72/555350572.db2.gz	CZYXGJLHAKMLPC-YJBOKZPZSA-N	1	0	362.499	1.616	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1	ZINC000617695329	555483686	/nfs/dbraw/zinc/48/36/86/555483686.db2.gz	PMFAQSUGEREJPL-MOPGFXCFSA-N	1	0	359.470	1.340	20	30		FDEDRO
CC[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(C#N)cc1	ZINC000618568217	555651924	/nfs/dbraw/zinc/65/19/24/555651924.db2.gz	UNEZCLAARHKFFO-KRWDZBQOSA-N	1	0	350.488	1.176	20	30		FDEDRO
C[NH+]1CCN(C(C)(C)CNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC1	ZINC000618797698	555678401	/nfs/dbraw/zinc/67/84/01/555678401.db2.gz	OOJJSSCESOHNHU-GOSISDBHSA-N	1	0	355.486	1.871	20	30		FDEDRO
N#CCN1CCC(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000619361874	555768527	/nfs/dbraw/zinc/76/85/27/555768527.db2.gz	XKVSVSBUGDMIRX-SFHVURJKSA-N	1	0	355.486	1.796	20	30		FDEDRO
N#CCN1CCC(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1	ZINC000619361775	555768552	/nfs/dbraw/zinc/76/85/52/555768552.db2.gz	SAGNVTBKIZOCON-KDURUIRLSA-N	1	0	367.497	1.748	20	30		FDEDRO
Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@](C)(C#N)C1	ZINC000619496341	555789077	/nfs/dbraw/zinc/78/90/77/555789077.db2.gz	UHQSPXDGTVCYAZ-MRXNPFEDSA-N	1	0	353.492	1.376	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(S(=O)(=O)c2cccc(CC#N)c2)CC1	ZINC000619506253	555792013	/nfs/dbraw/zinc/79/20/13/555792013.db2.gz	UWDPWLXDGIJDCG-UHFFFAOYSA-N	1	0	372.450	1.667	20	30		FDEDRO
CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1CC#N	ZINC000619572420	555801329	/nfs/dbraw/zinc/80/13/29/555801329.db2.gz	BYCVZXRJBZDKAA-UHFFFAOYSA-N	1	0	350.488	1.011	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)N[C@H]2CCc3cc(C#N)ccc32)CC1(C)C	ZINC000619661101	555818729	/nfs/dbraw/zinc/81/87/29/555818729.db2.gz	VJCGXRFSWHJENA-SFHVURJKSA-N	1	0	355.486	1.871	20	30		FDEDRO
C=C[C@H](C(=O)OC)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000619717054	555825716	/nfs/dbraw/zinc/82/57/16/555825716.db2.gz	OYTZREISRUAZHP-ZWKOTPCHSA-N	1	0	358.486	1.643	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc3oc(=O)n(C)c3c2)CC1	ZINC000623579288	556447487	/nfs/dbraw/zinc/44/74/87/556447487.db2.gz	UTBRZBIUPWWNCX-UHFFFAOYSA-N	1	0	358.442	1.971	20	30		FDEDRO
C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CC[NH+](CC2CCOCC2)CC1	ZINC000624990838	556686387	/nfs/dbraw/zinc/68/63/87/556686387.db2.gz	GVKXCTRFLNVPTC-UHFFFAOYSA-N	1	0	371.489	1.793	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)NC[C@@H]1CCN1Cc1ccc(OC)cc1	ZINC000625358420	556782839	/nfs/dbraw/zinc/78/28/39/556782839.db2.gz	OMKYLRYGCSKVKW-KRWDZBQOSA-N	1	0	359.470	1.810	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C	ZINC000625528278	556841968	/nfs/dbraw/zinc/84/19/68/556841968.db2.gz	HEYVFOJSSNXCIH-OAHLLOKOSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1	ZINC000625540279	556846301	/nfs/dbraw/zinc/84/63/01/556846301.db2.gz	JQBDSSGODMWWAE-UHFFFAOYSA-N	1	0	365.518	1.808	20	30		FDEDRO
C=C(CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)c1ccccc1	ZINC000627036478	557265900	/nfs/dbraw/zinc/26/59/00/557265900.db2.gz	YTZDISKIKCMPOM-UHFFFAOYSA-N	1	0	357.458	1.052	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1	ZINC000629795028	557836742	/nfs/dbraw/zinc/83/67/42/557836742.db2.gz	YMDCSSWFZZHFFA-OYRHEFFESA-N	1	0	355.482	1.702	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1	ZINC000632524071	558170816	/nfs/dbraw/zinc/17/08/16/558170816.db2.gz	YWFUMXNYRANKNV-UHFFFAOYSA-N	1	0	353.507	1.400	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1	ZINC000632896915	558229595	/nfs/dbraw/zinc/22/95/95/558229595.db2.gz	DKKIYXJAWJKZAQ-GASCZTMLSA-N	1	0	364.471	1.461	20	30		FDEDRO
C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000271825469	674385717	/nfs/dbraw/zinc/38/57/17/674385717.db2.gz	OLQYOWURYXZCED-KGLIPLIRSA-N	1	0	366.487	1.348	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2nc(C)c(C)nc2C)C[C@H]1C	ZINC001104402492	782180436	/nfs/dbraw/zinc/18/04/36/782180436.db2.gz	LCFJZCVMOWSPOK-RDTXWAMCSA-N	1	0	358.486	1.739	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1	ZINC000636980326	568290084	/nfs/dbraw/zinc/29/00/84/568290084.db2.gz	OBEPKHLBTBMISQ-OTWHNJEPSA-N	1	0	371.481	1.393	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000637184531	568538225	/nfs/dbraw/zinc/53/82/25/568538225.db2.gz	PEVBAOXNJKWJNK-IEBWSBKVSA-N	1	0	373.497	1.532	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCCCC#N	ZINC000736767082	598783918	/nfs/dbraw/zinc/78/39/18/598783918.db2.gz	KXONYSKUOFSIJI-UHFFFAOYSA-N	1	0	370.461	1.634	20	30		FDEDRO
C=CCCC[N@@H+](C)CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1	ZINC000735413397	599476058	/nfs/dbraw/zinc/47/60/58/599476058.db2.gz	UALCWTGPUHNFHU-UHFFFAOYSA-N	1	0	366.429	1.889	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1	ZINC000272879895	674484381	/nfs/dbraw/zinc/48/43/81/674484381.db2.gz	QKHIXYHTKDEQMR-CQSZACIVSA-N	1	0	356.463	1.914	20	30		FDEDRO
C[C@@H]1C[N@@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC[C@@H]1N1CC[NH+](C)CC1	ZINC000833625370	605052224	/nfs/dbraw/zinc/05/22/24/605052224.db2.gz	UQDLIYSAWMPYIM-MNEFBYGVSA-N	1	0	356.470	1.642	20	30		FDEDRO
CN(C(=[NH2+])NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)C1CC1	ZINC000273333145	674528420	/nfs/dbraw/zinc/52/84/20/674528420.db2.gz	KEDHKTVJFRHABT-UHFFFAOYSA-N	1	0	365.377	1.768	20	30		FDEDRO
C#CCC[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3c(F)cc(F)cc32)CC1	ZINC000823844566	608376791	/nfs/dbraw/zinc/37/67/91/608376791.db2.gz	BENYFXBBVHVWPZ-UHFFFAOYSA-N	1	0	369.379	1.838	20	30		FDEDRO
C=C(C)[C@H](CO)[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3ccccc32)CC1	ZINC000823873493	608382776	/nfs/dbraw/zinc/38/27/76/608382776.db2.gz	MXDVTXKOBGDQDQ-KRWDZBQOSA-N	1	0	365.441	1.474	20	30		FDEDRO
N#Cc1cccc(C2([NH2+]CC(=O)NCc3cccc(-c4nn[nH]n4)c3)CC2)c1	ZINC000826386388	608530881	/nfs/dbraw/zinc/53/08/81/608530881.db2.gz	BTLOGFYZGRFJHD-UHFFFAOYSA-N	1	0	373.420	1.633	20	30		FDEDRO
C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(-c2nn[nH]n2)cc1F	ZINC000824598365	609341011	/nfs/dbraw/zinc/34/10/11/609341011.db2.gz	FEPHSBDKSMPNQR-OZEUQTTQSA-N	1	0	371.376	1.183	20	30		FDEDRO
C[C@H](C#N)CNC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000824035225	609411775	/nfs/dbraw/zinc/41/17/75/609411775.db2.gz	URNVRMRUYFZMEW-CQSZACIVSA-N	1	0	368.445	1.244	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccc(Cl)nc2)CC1	ZINC000286388162	675895282	/nfs/dbraw/zinc/89/52/82/675895282.db2.gz	DCPZLKONVBXYIX-UHFFFAOYSA-N	1	0	350.850	1.460	20	30		FDEDRO
Cn1c(CNC(=[NH2+])NCCCN2CCOCC2)nc2cccc(Cl)c21	ZINC000274799459	674596246	/nfs/dbraw/zinc/59/62/46/674596246.db2.gz	SDNFTMQFSISFOC-UHFFFAOYSA-N	1	0	364.881	1.353	20	30		FDEDRO
CCS(=O)(=O)CCCCCON=C(N)c1ccc(C[NH+](C)C)cc1	ZINC000276460593	674730169	/nfs/dbraw/zinc/73/01/69/674730169.db2.gz	FRTDPZQHCYCWLR-UHFFFAOYSA-N	1	0	355.504	1.990	20	30		FDEDRO
C#CC[N@@H+](C)CCC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC	ZINC000276926977	674810910	/nfs/dbraw/zinc/81/09/10/674810910.db2.gz	IEAONJWOILSNRA-UHFFFAOYSA-N	1	0	352.412	1.523	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccnc2C#N)[C@H](C)C1	ZINC000277061183	674847677	/nfs/dbraw/zinc/84/76/77/674847677.db2.gz	RGDLBSNFTCINAE-HUUCEWRRSA-N	1	0	366.487	1.369	20	30		FDEDRO
[NH2+]=C(NCc1cccc(C(F)(F)F)c1)NCC1(N2CCOCC2)CC1	ZINC000277524007	674960666	/nfs/dbraw/zinc/96/06/66/674960666.db2.gz	OHHWUDFNCAMPSV-UHFFFAOYSA-N	1	0	356.392	1.975	20	30		FDEDRO
C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CCS(=O)(=O)C1	ZINC000041637922	670900351	/nfs/dbraw/zinc/90/03/51/670900351.db2.gz	ZQBDVXITDCNLER-LBPRGKRZSA-N	1	0	372.284	1.985	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NCC[NH+]2CCCC2)ccc1F	ZINC000074457346	671411984	/nfs/dbraw/zinc/41/19/84/671411984.db2.gz	XFKJDPGTOIRXEG-UHFFFAOYSA-N	1	0	355.435	1.116	20	30		FDEDRO
C[NH+]=C(NC[C@H](C)N1CCc2sccc2C1)N[C@@H]1CCN(C2CC2)C1	ZINC000083093972	671471093	/nfs/dbraw/zinc/47/10/93/671471093.db2.gz	OHCQEVSZDCUTKF-GOEBONIOSA-N	1	0	361.559	1.896	20	30		FDEDRO
CCc1nc(CNC(=[NH+]C)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cs1	ZINC000085747128	671481918	/nfs/dbraw/zinc/48/19/18/671481918.db2.gz	IEFQESYEOAXHDD-AWEZNQCLSA-N	1	0	365.503	1.104	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)cc1	ZINC000091963816	671513998	/nfs/dbraw/zinc/51/39/98/671513998.db2.gz	HBBWAIBVUIXEGQ-AWEZNQCLSA-N	1	0	351.472	1.833	20	30		FDEDRO
C=C(Br)CNC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1	ZINC000105328987	671600915	/nfs/dbraw/zinc/60/09/15/671600915.db2.gz	VPGDMWVEGMCYRH-CHWSQXEVSA-N	1	0	358.280	1.344	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1CC(N)=NOCC(=O)N1CCc2sccc2C1	ZINC000106437967	671607082	/nfs/dbraw/zinc/60/70/82/671607082.db2.gz	UFXVHQSCZMFDBA-CYBMUJFWSA-N	1	0	350.488	1.796	20	30		FDEDRO
C#CCOc1ccc(C[NH2+]C2CCN(S(=O)(=O)CCC)CC2)cc1	ZINC000113321633	671646309	/nfs/dbraw/zinc/64/63/09/671646309.db2.gz	AGIIXTCPUZLZCZ-UHFFFAOYSA-N	1	0	350.484	1.992	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1	ZINC000115284010	671652117	/nfs/dbraw/zinc/65/21/17/671652117.db2.gz	WVTSZGIQRWVBRA-INIZCTEOSA-N	1	0	351.491	1.997	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@H+](CC(C)C)C[C@@H](O)c1ccc(F)cc1	ZINC000118855293	671668021	/nfs/dbraw/zinc/66/80/21/671668021.db2.gz	ZCPBNJSLEBCUMQ-MRXNPFEDSA-N	1	0	351.422	1.829	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cc(S(=O)(=O)NC)cs1	ZINC000121398491	671703849	/nfs/dbraw/zinc/70/38/49/671703849.db2.gz	KPYSEOKOQHECSG-LBPRGKRZSA-N	1	0	358.485	1.547	20	30		FDEDRO
CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C#CC[NH+](CC)CC)cc1	ZINC000121440109	671704643	/nfs/dbraw/zinc/70/46/43/671704643.db2.gz	YDSLQEVQZNZBIT-HNNXBMFYSA-N	1	0	366.483	1.875	20	30		FDEDRO
CC[NH+]=C(NCC1(SC)CCOCC1)N[C@H]1CCc2nc(C)nn2C1	ZINC000130533262	671795406	/nfs/dbraw/zinc/79/54/06/671795406.db2.gz	JHSFFLFNYIVUJW-AWEZNQCLSA-N	1	0	366.535	1.369	20	30		FDEDRO
Cc1cc(S(=O)(=O)NCCNC(=[NH2+])N2CCC[C@H](C)C2)c(C)s1	ZINC000151410841	671864411	/nfs/dbraw/zinc/86/44/11/671864411.db2.gz	URIGLWCJYPZCLI-NSHDSACASA-N	1	0	358.533	1.690	20	30		FDEDRO
CC[NH+]=C(NC[C@@]1(O)CCSC1)N1CCN(c2ccc(F)cc2)CC1	ZINC000152450722	671883006	/nfs/dbraw/zinc/88/30/06/671883006.db2.gz	LWGPLBNAXRASED-SFHVURJKSA-N	1	0	366.506	1.781	20	30		FDEDRO
C[NH+]=C(NC[C@H](C)N(C)c1ccccc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158580181	671980958	/nfs/dbraw/zinc/98/09/58/671980958.db2.gz	UCLKMUPMWFTBDU-HNNXBMFYSA-N	1	0	366.531	1.596	20	30		FDEDRO
[NH2+]=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)NC[C@@H]1CCCO1	ZINC000161477209	672009383	/nfs/dbraw/zinc/00/93/83/672009383.db2.gz	LTXOKAUSAIHJLR-DLBZAZTESA-N	1	0	350.438	1.282	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(F)(F)C1(O)CCC1	ZINC000161638166	672011331	/nfs/dbraw/zinc/01/13/31/672011331.db2.gz	DFOQEKDDUUPRTN-UHFFFAOYSA-N	1	0	351.397	1.999	20	30		FDEDRO
CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000163825061	672026272	/nfs/dbraw/zinc/02/62/72/672026272.db2.gz	JTCASVAWMPCXMN-GFCCVEGCSA-N	1	0	350.394	1.513	20	30		FDEDRO
CCOc1ccc(OCC)c(NC(=[NH2+])NCC(=O)NCC(F)(F)F)c1	ZINC000170908010	672047952	/nfs/dbraw/zinc/04/79/52/672047952.db2.gz	QLPJLDUQGLUWIH-UHFFFAOYSA-N	1	0	362.352	1.889	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1	ZINC000177449922	672125649	/nfs/dbraw/zinc/12/56/49/672125649.db2.gz	QHBJJOUXCJBROZ-JKSUJKDBSA-N	1	0	363.483	1.201	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CON=C(N)C2CCCCC2)C1	ZINC000178148674	672136717	/nfs/dbraw/zinc/13/67/17/672136717.db2.gz	SPQOQYXUIYXUKZ-MRXNPFEDSA-N	1	0	354.495	1.329	20	30		FDEDRO
CC(C)(C)OC(=O)NC[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)C1CC1	ZINC000185207091	672257547	/nfs/dbraw/zinc/25/75/47/672257547.db2.gz	NWVCLFDGUZSGHL-KBXCAEBGSA-N	1	0	350.463	1.688	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)CC1	ZINC000194047016	672377730	/nfs/dbraw/zinc/37/77/30/672377730.db2.gz	FIZWDULFOFDNSP-UHFFFAOYSA-N	1	0	353.419	1.481	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])ccc1F	ZINC000237373897	672422554	/nfs/dbraw/zinc/42/25/54/672422554.db2.gz	CJUZGKABZJRKGO-DOMZBBRYSA-N	1	0	369.462	1.632	20	30		FDEDRO
CC(C)Oc1ccc(NC(=[NH2+])NCC2CCN(S(C)(=O)=O)CC2)cc1	ZINC000261608824	672634513	/nfs/dbraw/zinc/63/45/13/672634513.db2.gz	FDGHYFBOJWGMKC-UHFFFAOYSA-N	1	0	368.503	1.872	20	30		FDEDRO
CC[NH+]=C(NCC1(O)CCC1)N1CCN(c2cc(F)ccc2F)CC1	ZINC000261616511	672636598	/nfs/dbraw/zinc/63/65/98/672636598.db2.gz	AUAWKDYWEVUIRN-UHFFFAOYSA-N	1	0	352.429	1.967	20	30		FDEDRO
CC[NH+]=C(NCCc1cccs1)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261634941	672640493	/nfs/dbraw/zinc/64/04/93/672640493.db2.gz	CSUGIOIEKCZZHK-UHFFFAOYSA-N	1	0	360.487	1.338	20	30		FDEDRO
CCOc1ncccc1CNC(=[NH+]C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261663486	672645792	/nfs/dbraw/zinc/64/57/92/672645792.db2.gz	AYYYLVUUGRBTJJ-UHFFFAOYSA-N	1	0	354.476	1.065	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N(C)CC(=O)NC(C)(C)C	ZINC000261694080	672652760	/nfs/dbraw/zinc/65/27/60/672652760.db2.gz	SGXBUGLPHBGHHZ-NUEKZKHPSA-N	1	0	350.507	1.756	20	30		FDEDRO
C[NH+]=C(NCc1ccnn1C)N(C)Cc1cc(Br)cn1C	ZINC000261732993	672660642	/nfs/dbraw/zinc/66/06/42/672660642.db2.gz	JSBRTNRLPOFDKH-UHFFFAOYSA-N	1	0	353.268	1.729	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(S(N)(=O)=O)cc1)N1CC[C@@](C)(CC)C1	ZINC000261817708	672677537	/nfs/dbraw/zinc/67/75/37/672677537.db2.gz	UBHUQJNHSFKSOH-QGZVFWFLSA-N	1	0	352.504	1.922	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCC[C@H]1O)N(C)Cc1cc(Br)cn1C	ZINC000261844515	672681953	/nfs/dbraw/zinc/68/19/53/672681953.db2.gz	XCIBNWUHRPBEDK-SMDDNHRTSA-N	1	0	357.296	1.956	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1COCCO1)N[C@H]1CCN(c2cccc(Cl)c2)C1	ZINC000261856848	672684650	/nfs/dbraw/zinc/68/46/50/672684650.db2.gz	XZIOHEAGMQGTIO-GOEBONIOSA-N	1	0	352.866	1.499	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1CCC[C@@H](CC(N)=O)C1	ZINC000261862591	672685099	/nfs/dbraw/zinc/68/50/99/672685099.db2.gz	ZNSDKQJDUDHMQP-DIECFANBSA-N	1	0	350.507	1.743	20	30		FDEDRO
CC[NH+]=C(NCCc1csc(C)n1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261934995	672696841	/nfs/dbraw/zinc/69/68/41/672696841.db2.gz	CEUOFPLOSXKOMX-UHFFFAOYSA-N	1	0	358.533	1.469	20	30		FDEDRO
CC[NH+]=C(NCCN1CCC[C@H](C)C1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261938880	672697937	/nfs/dbraw/zinc/69/79/37/672697937.db2.gz	DBUDASRRODDFKC-HNNXBMFYSA-N	1	0	358.552	1.193	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N(C)Cc1cc(Cl)cn1C	ZINC000261967896	672703929	/nfs/dbraw/zinc/70/39/29/672703929.db2.gz	LXPVHGYZYSYKKC-ZDUSSCGKSA-N	1	0	363.897	1.848	20	30		FDEDRO
C[NH+]=C(NCCOc1ccc(Cl)cn1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261995929	672708412	/nfs/dbraw/zinc/70/84/12/672708412.db2.gz	SIHBOYCCTNEQIQ-UHFFFAOYSA-N	1	0	374.894	1.198	20	30		FDEDRO
CC[NH+]=C(NCC1(CO)CCOCC1)N1CCC[C@@]2(CCCOC2)C1	ZINC000262047376	672717881	/nfs/dbraw/zinc/71/78/81/672717881.db2.gz	UPMOJMMKWUEMEQ-LJQANCHMSA-N	1	0	353.507	1.634	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)NC(C)C)N[C@@H]1CCc2ccccc2C1	ZINC000262216195	672748439	/nfs/dbraw/zinc/74/84/39/672748439.db2.gz	KOIFFMGINAVTAG-MRXNPFEDSA-N	1	0	352.504	1.037	20	30		FDEDRO
CC[NH+]=C(NCCN1CCCS1(=O)=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1	ZINC000262232451	672751500	/nfs/dbraw/zinc/75/15/00/672751500.db2.gz	MKFPHSKWMYRVNG-YESZJQIVSA-N	1	0	370.563	1.936	20	30		FDEDRO
CN(C)C(=O)CNC(=[NH+]C1CCCC1)N1CC[C@H](C2CCOCC2)C1	ZINC000262246035	672753765	/nfs/dbraw/zinc/75/37/65/672753765.db2.gz	AZULILHQIFGLDL-INIZCTEOSA-N	1	0	350.507	1.711	20	30		FDEDRO
CC[C@H](C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCOC2(CCC2)C1	ZINC000262335325	672772577	/nfs/dbraw/zinc/77/25/77/672772577.db2.gz	BRNPKUXYQMJWQS-HRCADAONSA-N	1	0	371.547	1.857	20	30		FDEDRO
CS[C@@H]1CCC[C@H](NC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)C1	ZINC000262337846	672772767	/nfs/dbraw/zinc/77/27/67/672772767.db2.gz	CDAJVRDQMMIWAK-VHDGCEQUSA-N	1	0	359.561	1.793	20	30		FDEDRO
CC[C@H](C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@@]2(CCOC2)C1	ZINC000262340123	672773127	/nfs/dbraw/zinc/77/31/27/672773127.db2.gz	CKEIHIGMPSUNTL-YQQAZPJKSA-N	1	0	357.520	1.278	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](C2CCOCC2)C1	ZINC000262371191	672778187	/nfs/dbraw/zinc/77/81/87/672778187.db2.gz	IQYNDORXRORWFT-DOTOQJQBSA-N	1	0	371.547	1.524	20	30		FDEDRO
CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C	ZINC000262395341	672782674	/nfs/dbraw/zinc/78/26/74/672782674.db2.gz	MWPNJHOTHFEGAP-JONQDZQNSA-N	1	0	371.547	1.570	20	30		FDEDRO
CC[C@H](C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCOC(C)(C)C1	ZINC000262411568	672785225	/nfs/dbraw/zinc/78/52/25/672785225.db2.gz	PHQXZWDWYYYJRJ-KKUMJFAQSA-N	1	0	359.536	1.712	20	30		FDEDRO
C[NH+]=C(NCCN1CCCS1(=O)=O)N1CC[C@H](c2ccccc2)C1	ZINC000262437983	672789513	/nfs/dbraw/zinc/78/95/13/672789513.db2.gz	GWNNXMHVDWVHPY-INIZCTEOSA-N	1	0	350.488	1.087	20	30		FDEDRO
CS(=O)(=O)N1CC(CNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)C1	ZINC000262455682	672792667	/nfs/dbraw/zinc/79/26/67/672792667.db2.gz	UCNJXVOCJWDDOO-UHFFFAOYSA-N	1	0	366.365	1.203	20	30		FDEDRO
[NH2+]=C(NC[C@H]1CCCS1(=O)=O)NC1CCN(Cc2ccccc2)CC1	ZINC000262492301	672798432	/nfs/dbraw/zinc/79/84/32/672798432.db2.gz	VGVZLPMXILDHEH-QGZVFWFLSA-N	1	0	364.515	1.133	20	30		FDEDRO
Cc1cccc(NC(=[NH2+])NCC2CCN(S(=O)(=O)C(F)F)CC2)c1	ZINC000262538533	672804543	/nfs/dbraw/zinc/80/45/43/672804543.db2.gz	QUMVARKGXCZZAJ-UHFFFAOYSA-N	1	0	360.430	1.986	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1COCCO1)N(C)Cc1ccccc1Br	ZINC000262569608	672808714	/nfs/dbraw/zinc/80/87/14/672808714.db2.gz	MNRXMZBUVRDDHX-CYBMUJFWSA-N	1	0	356.264	1.872	20	30		FDEDRO
C[NH+]=C(NC[C@@H](C)c1ccc(F)cc1F)N1CCN(C2CC2)C(=O)C1	ZINC000262749658	672841175	/nfs/dbraw/zinc/84/11/75/672841175.db2.gz	BNBOYZJPOMZMJG-GFCCVEGCSA-N	1	0	350.413	1.950	20	30		FDEDRO
C[NH+]=C(NCCN1CCSCC1)N(C)Cc1ccc2c(c1)OCO2	ZINC000262760869	672843587	/nfs/dbraw/zinc/84/35/87/672843587.db2.gz	DCYXZIPPGWDYEM-UHFFFAOYSA-N	1	0	350.488	1.471	20	30		FDEDRO
C[NH+]=C(NC[C@@]1(N(C)C)CCSC1)N(C)Cc1ccc2c(c1)OCO2	ZINC000262789320	672849837	/nfs/dbraw/zinc/84/98/37/672849837.db2.gz	NPXJGZLMMJOBFK-SFHVURJKSA-N	1	0	364.515	1.860	20	30		FDEDRO
C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000263939962	672894536	/nfs/dbraw/zinc/89/45/36/672894536.db2.gz	ZAEBUTDOCCCOPI-OAHLLOKOSA-N	1	0	364.471	1.045	20	30		FDEDRO
C[C@@H]1CN(c2ccc(CNC(=[NH2+])N3CCOCC3)cc2F)C[C@@H](C)O1	ZINC000264124000	672901850	/nfs/dbraw/zinc/90/18/50/672901850.db2.gz	VXGVUNULLRTRHO-ZIAGYGMSSA-N	1	0	350.438	1.586	20	30		FDEDRO
CCN(CC)S(=O)(=O)c1ccc(CCNC(=[NH2+])NCC(C)C)s1	ZINC000264268264	672906613	/nfs/dbraw/zinc/90/66/13/672906613.db2.gz	LDRNCTJEKMWQGN-UHFFFAOYSA-N	1	0	360.549	1.881	20	30		FDEDRO
C[NH+](C)CCNS(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000289091672	676092514	/nfs/dbraw/zinc/09/25/14/676092514.db2.gz	IHUPFKBCXSJXKE-UHFFFAOYSA-N	1	0	350.213	1.300	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NC[C@]2(N(C)C)CCSC2)cc1OC	ZINC000267124060	673253937	/nfs/dbraw/zinc/25/39/37/673253937.db2.gz	BGXPAIQDEZJVLS-QGZVFWFLSA-N	1	0	352.504	1.545	20	30		FDEDRO
COC(=O)CC1([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CCCC1	ZINC000289359802	676124502	/nfs/dbraw/zinc/12/45/02/676124502.db2.gz	HFNIXEQBSDAJPI-UHFFFAOYSA-N	1	0	351.428	1.192	20	30		FDEDRO
CCc1nc(CCNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)no1	ZINC000267460092	673306395	/nfs/dbraw/zinc/30/63/95/673306395.db2.gz	UWLXNNAJZCFHAA-UHFFFAOYSA-N	1	0	352.439	1.042	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1cncc(C#N)c1	ZINC000289547810	676151100	/nfs/dbraw/zinc/15/11/00/676151100.db2.gz	UDBSTNQWNSJGSR-UHFFFAOYSA-N	1	0	350.469	1.767	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(CNC(=O)C(F)(F)F)CC1	ZINC000281377402	675514496	/nfs/dbraw/zinc/51/44/96/675514496.db2.gz	OWOSMLDGLJJODJ-ZDUSSCGKSA-N	1	0	361.408	1.966	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+](C)C[C@@H](O)COCc2ccccc2Cl)C1=O	ZINC000281500644	675524801	/nfs/dbraw/zinc/52/48/01/675524801.db2.gz	YBDWYVOVOADDMK-WBVHZDCISA-N	1	0	352.862	1.936	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1	ZINC000281724204	675550549	/nfs/dbraw/zinc/55/05/49/675550549.db2.gz	FJWIKVVBJXCJBE-VYDXJSESSA-N	1	0	350.488	1.575	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NC[C@@H](C)N1CCc2sccc2C1	ZINC000284693243	675742934	/nfs/dbraw/zinc/74/29/34/675742934.db2.gz	HADVRHKVDXAHTQ-CQSZACIVSA-N	1	0	365.499	1.320	20	30		FDEDRO
Cc1c(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cnn1C	ZINC000292920857	676328217	/nfs/dbraw/zinc/32/82/17/676328217.db2.gz	HWVCMTMJSUSIDL-UHFFFAOYSA-N	1	0	361.471	1.353	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1	ZINC000293312952	676344597	/nfs/dbraw/zinc/34/45/97/676344597.db2.gz	IGRGBYPFYIUOON-UHFFFAOYSA-N	1	0	373.787	1.951	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1ccc(N2CCCS2(=O)=O)cc1C	ZINC000293901367	676370036	/nfs/dbraw/zinc/37/00/36/676370036.db2.gz	FHZXRFRBGBFIRU-UHFFFAOYSA-N	1	0	363.483	1.220	20	30		FDEDRO
C=C(C)COc1cc(C[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)ccc1OC	ZINC000294900753	676398193	/nfs/dbraw/zinc/39/81/93/676398193.db2.gz	XELKYNHDKLKKHK-KRWDZBQOSA-N	1	0	355.456	1.289	20	30		FDEDRO
C[NH+](C)CCOc1cccc(CNS(=O)(=O)CC(C)(C)CC#N)c1	ZINC000296671286	676419990	/nfs/dbraw/zinc/41/99/90/676419990.db2.gz	GXNWPRILQBAREU-UHFFFAOYSA-N	1	0	353.488	1.986	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CC(=O)N(CCC(F)(F)F)C2)CC1	ZINC000296827154	676420993	/nfs/dbraw/zinc/42/09/93/676420993.db2.gz	ZQMZHEHWUDMYHL-UHFFFAOYSA-N	1	0	362.396	1.791	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)NCCCCS(N)(=O)=O)C(C)C	ZINC000296948481	676422106	/nfs/dbraw/zinc/42/21/06/676422106.db2.gz	CBRFSJXASSGOQR-HNNXBMFYSA-N	1	0	360.524	1.053	20	30		FDEDRO
C[NH+](C)CCCN(C(=O)c1cccc(CC#N)c1)[C@H]1CCS(=O)(=O)C1	ZINC000298785024	676496109	/nfs/dbraw/zinc/49/61/09/676496109.db2.gz	HKWFEVYFGCJOHE-KRWDZBQOSA-N	1	0	363.483	1.334	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1nc(-c2ccccc2)ns1	ZINC000299369939	676531270	/nfs/dbraw/zinc/53/12/70/676531270.db2.gz	QEBIKGJEYGDSDB-UHFFFAOYSA-N	1	0	357.439	1.215	20	30		FDEDRO
CC(C)CCNC(=[NH2+])NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000303773850	676542849	/nfs/dbraw/zinc/54/28/49/676542849.db2.gz	FNXXEYDUYRMJRE-UHFFFAOYSA-N	1	0	371.463	1.361	20	30		FDEDRO
C[NH+]=C(NCCc1ccc(C(F)(F)F)cc1)NCCN1CCOCC1	ZINC000303719909	676542886	/nfs/dbraw/zinc/54/28/86/676542886.db2.gz	WEPQJPAVKNFYCY-UHFFFAOYSA-N	1	0	358.408	1.745	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1	ZINC000303863591	676543333	/nfs/dbraw/zinc/54/33/33/676543333.db2.gz	AGSVOBJAXDTGED-UHFFFAOYSA-N	1	0	362.455	1.872	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1cc(Br)ccc1F	ZINC000303883493	676543548	/nfs/dbraw/zinc/54/35/48/676543548.db2.gz	IPJPDEIOTIQQKM-UHFFFAOYSA-N	1	0	373.270	1.715	20	30		FDEDRO
CC(C)N(C)S(=O)(=O)c1ccc(CNC(=[NH2+])NCC2CCC2)cc1	ZINC000303903218	676543796	/nfs/dbraw/zinc/54/37/96/676543796.db2.gz	YHUASVZDUQAPOW-UHFFFAOYSA-N	1	0	352.504	1.920	20	30		FDEDRO
CCOCCCNC(=[NH2+])NCc1ccc(CS(=O)(=O)NC(C)C)cc1	ZINC000303902912	676543809	/nfs/dbraw/zinc/54/38/09/676543809.db2.gz	YBHJHVIOOXMXJM-UHFFFAOYSA-N	1	0	370.519	1.345	20	30		FDEDRO
CCc1nncn1CCNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1	ZINC000304813759	676544721	/nfs/dbraw/zinc/54/47/21/676544721.db2.gz	ZDIDJFMCTTXKLI-UHFFFAOYSA-N	1	0	356.352	1.844	20	30		FDEDRO
C[NH+]=C(NCCc1ccc(OC)cc1Cl)NCCN1CCOCC1	ZINC000305091196	676544855	/nfs/dbraw/zinc/54/48/55/676544855.db2.gz	PTASCEOORUHAJT-UHFFFAOYSA-N	1	0	354.882	1.388	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCCc1nc2c(s1)CCCC2	ZINC000305686403	676545013	/nfs/dbraw/zinc/54/50/13/676545013.db2.gz	AKXFMWPFDSLSDN-UHFFFAOYSA-N	1	0	351.520	1.191	20	30		FDEDRO
CCOc1ccc(Cl)cc1CCNC(=[NH2+])NCCCN1CCOCC1	ZINC000305322402	676545088	/nfs/dbraw/zinc/54/50/88/676545088.db2.gz	WRJXVQWOERSJQK-UHFFFAOYSA-N	1	0	368.909	1.908	20	30		FDEDRO
CC(C)CNS(=O)(=O)c1ccc(CNC(=[NH2+])N2CCSCC2)cc1	ZINC000305727232	676545215	/nfs/dbraw/zinc/54/52/15/676545215.db2.gz	YDMNFUOMJMFKSK-UHFFFAOYSA-N	1	0	370.544	1.484	20	30		FDEDRO
C=CCNC(=[NH2+])NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1	ZINC000305716627	676545291	/nfs/dbraw/zinc/54/52/91/676545291.db2.gz	HRLWWNCPTVFFJX-UHFFFAOYSA-N	1	0	351.350	1.449	20	30		FDEDRO
CC(C)(C)C(=O)N1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1	ZINC000328609432	676599866	/nfs/dbraw/zinc/59/98/66/676599866.db2.gz	MTJTWGUXLJYZEH-UHFFFAOYSA-N	1	0	350.507	1.965	20	30		FDEDRO
C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O	ZINC000328704083	676603150	/nfs/dbraw/zinc/60/31/50/676603150.db2.gz	OPSHDNKOIYHWKQ-IXDOHACOSA-N	1	0	353.507	1.932	20	30		FDEDRO
CN(C1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1)S(C)(=O)=O	ZINC000328734945	676604743	/nfs/dbraw/zinc/60/47/43/676604743.db2.gz	IQZIPPVVQNFXNQ-UHFFFAOYSA-N	1	0	372.535	1.131	20	30		FDEDRO
CC(C)[NH+]1CCN(C2CCN(C(=O)N[C@H]3CC[C@H](O)CC3)CC2)CC1	ZINC000328841627	676609176	/nfs/dbraw/zinc/60/91/76/676609176.db2.gz	PNWNTLNYQQQSMV-SAABIXHNSA-N	1	0	352.523	1.694	20	30		FDEDRO
CCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1	ZINC000328872983	676610222	/nfs/dbraw/zinc/61/02/22/676610222.db2.gz	FAIPTROTNSYZEB-AWEZNQCLSA-N	1	0	363.487	1.733	20	30		FDEDRO
C[NH+]1CCN(CCNC(=O)CCn2cc(Br)ccc2=O)CC1	ZINC000328939978	676612907	/nfs/dbraw/zinc/61/29/07/676612907.db2.gz	KPUANWOPBUMCOH-UHFFFAOYSA-N	1	0	371.279	1.205	20	30		FDEDRO
Cc1noc([C@@H]2CN(C(=O)NC3CC[NH+](C(C)C)CC3)CCN2C)n1	ZINC000328963999	676613959	/nfs/dbraw/zinc/61/39/59/676613959.db2.gz	LRPVOSBHDWTJDC-HNNXBMFYSA-N	1	0	350.467	1.453	20	30		FDEDRO
CO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1	ZINC000329045767	676617316	/nfs/dbraw/zinc/61/73/16/676617316.db2.gz	JJUXWXITAHZBOK-TUVASFSCSA-N	1	0	350.467	1.364	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)CCSC1	ZINC000329048349	676617522	/nfs/dbraw/zinc/61/75/22/676617522.db2.gz	KDWXUPJESTWXCS-HWMZRRJGSA-N	1	0	357.520	1.200	20	30		FDEDRO
CS(=O)(=O)N1CCC(NC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC1	ZINC000329097380	676619905	/nfs/dbraw/zinc/61/99/05/676619905.db2.gz	CDNSENHWDXPUGA-MRXNPFEDSA-N	1	0	372.535	1.275	20	30		FDEDRO
CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H](C)C(=O)N2CCCC[C@@H]2C)[N@H+](C)C1	ZINC000329134955	676622179	/nfs/dbraw/zinc/62/21/79/676622179.db2.gz	QHVXDJFDQIDQKS-FZKCQIBNSA-N	1	0	354.495	1.341	20	30		FDEDRO
Cc1csc(NC(=O)CN2CCC[C@](O)(C(=O)N3CCCC3)C2)n1	ZINC000329141977	676622387	/nfs/dbraw/zinc/62/23/87/676622387.db2.gz	UPKZWIPDIRXMIK-MRXNPFEDSA-N	1	0	352.460	1.489	20	30		FDEDRO
CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@H]2CCN(C(C)C)C2=O)C1	ZINC000329154171	676622929	/nfs/dbraw/zinc/62/29/29/676622929.db2.gz	BFOXDKZETWUMOW-JYJNAYRXSA-N	1	0	352.479	1.095	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1	ZINC000329305469	676632248	/nfs/dbraw/zinc/63/22/48/676632248.db2.gz	YHXZKRCWMOVHRG-HRCADAONSA-N	1	0	353.463	1.224	20	30		FDEDRO
CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1	ZINC000329429446	676638283	/nfs/dbraw/zinc/63/82/83/676638283.db2.gz	HGZFBKPFFIQSFN-CABCVRRESA-N	1	0	372.535	1.273	20	30		FDEDRO
Cc1noc([C@H](NC(=O)N2CCC[C@@H]([NH+](C)C)C2)C2CCOCC2)n1	ZINC000329476599	676640470	/nfs/dbraw/zinc/64/04/70/676640470.db2.gz	BOSXNVRFEDCXRF-HUUCEWRRSA-N	1	0	351.451	1.786	20	30		FDEDRO
C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)C1=CC[N@H+](C)CC1	ZINC000329509422	676641979	/nfs/dbraw/zinc/64/19/79/676641979.db2.gz	BMGMMYDYLQLLBW-NWANDNLSSA-N	1	0	358.508	1.001	20	30		FDEDRO
CC(C)[C@H](CNS(=O)(=O)CC1(C#N)CCCCC1)N1CC[NH+](C)CC1	ZINC000329668908	676648518	/nfs/dbraw/zinc/64/85/18/676648518.db2.gz	REZTVJRMCIAZCQ-KRWDZBQOSA-N	1	0	370.563	1.652	20	30		FDEDRO
O=C(NC[C@H]1CCCS(=O)(=O)C1)N1CCC[C@@H]1C[NH+]1CCCCC1	ZINC000329695362	676649824	/nfs/dbraw/zinc/64/98/24/676649824.db2.gz	DADOVBGLWVHPLZ-HZPDHXFCSA-N	1	0	357.520	1.676	20	30		FDEDRO
C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1	ZINC000329717276	676651285	/nfs/dbraw/zinc/65/12/85/676651285.db2.gz	XKVACWFDYLWIGZ-RBSFLKMASA-N	1	0	370.519	1.026	20	30		FDEDRO
CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1	ZINC000329752607	676652962	/nfs/dbraw/zinc/65/29/62/676652962.db2.gz	WIRJQYIUTCSKSF-DLTWYDFYSA-N	1	0	352.479	1.839	20	30		FDEDRO
CC[C@@H]1CN(C(=O)NCC(C)(C)C[NH+]2CCCC2)C[C@H](C)S1(=O)=O	ZINC000329772624	676654898	/nfs/dbraw/zinc/65/48/98/676654898.db2.gz	KTXXFWFLYYLZGU-LSDHHAIUSA-N	1	0	359.536	1.920	20	30		FDEDRO
Cc1nc(C)c(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)s1	ZINC000329784945	676655921	/nfs/dbraw/zinc/65/59/21/676655921.db2.gz	WNVIZMBBWZPPJE-UHFFFAOYSA-N	1	0	365.503	1.414	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)C1	ZINC000329811200	676658184	/nfs/dbraw/zinc/65/81/84/676658184.db2.gz	RHPFXEHLLGQEFP-UONOGXRCSA-N	1	0	367.881	1.538	20	30		FDEDRO
CN(C)[C@H](CNC(=O)N[C@@H]1CCCS(=O)(=O)C1)c1cccc(F)c1	ZINC000329855220	676660772	/nfs/dbraw/zinc/66/07/72/676660772.db2.gz	TWPBWLVXOLAGSG-HUUCEWRRSA-N	1	0	357.451	1.509	20	30		FDEDRO
C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@@H](C2CC2)O1	ZINC000329928888	676664151	/nfs/dbraw/zinc/66/41/51/676664151.db2.gz	YIYYMVHZAXVSHA-VKJFTORMSA-N	1	0	351.491	1.901	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](N3CCCC3=O)C2)C1	ZINC000330102146	676672585	/nfs/dbraw/zinc/67/25/85/676672585.db2.gz	IGPMNHGGYBAQLG-IAGOWNOFSA-N	1	0	350.507	1.965	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@H](C)O[C@@]2(CCCOC2)C1	ZINC000330102176	676672593	/nfs/dbraw/zinc/67/25/93/676672593.db2.gz	FWVDUNHCQYYJGF-JZXOWHBKSA-N	1	0	355.479	1.281	20	30		FDEDRO
Cc1nnc([C@@H]2CCCN(C(=O)NC[C@]3([NH+](C)C)CCSC3)C2)[nH]1	ZINC000330161380	676676043	/nfs/dbraw/zinc/67/60/43/676676043.db2.gz	SXYBQNLCOURZPP-CZUORRHYSA-N	1	0	352.508	1.644	20	30		FDEDRO
Cn1cnnc1C1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1	ZINC000330172028	676676528	/nfs/dbraw/zinc/67/65/28/676676528.db2.gz	XRWZLYYJJZBLQR-MRXNPFEDSA-N	1	0	352.508	1.346	20	30		FDEDRO
CS(=O)(=O)C[C@H]1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1	ZINC000330176203	676676710	/nfs/dbraw/zinc/67/67/10/676676710.db2.gz	CBPBCDUSSBMTMR-AWEZNQCLSA-N	1	0	357.520	1.674	20	30		FDEDRO
CC(C)[C@H](CNC(=O)N[C@H]1CCOC2(CCC2)C1)[NH+]1CCN(C)CC1	ZINC000330207654	676678490	/nfs/dbraw/zinc/67/84/90/676678490.db2.gz	AKYKGASASFLFJH-IRXDYDNUSA-N	1	0	352.523	1.864	20	30		FDEDRO
C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)N[C@@H]1CCOC2(CCOCC2)C1	ZINC000330217323	676679471	/nfs/dbraw/zinc/67/94/71/676679471.db2.gz	NSMCMPHRIXUVJR-BZUAXINKSA-N	1	0	355.479	1.016	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCS(=O)(=O)N1CCSCC1	ZINC000330287769	676683081	/nfs/dbraw/zinc/68/30/81/676683081.db2.gz	COTPTFVPPRBTMS-CQSZACIVSA-N	1	0	363.549	1.586	20	30		FDEDRO
C[C@H]1CN(C(=O)NCc2ncnn2C(C)(C)C)CC[N@@H+]1CC(C)(C)O	ZINC000330409794	676689500	/nfs/dbraw/zinc/68/95/00/676689500.db2.gz	KLCDEQKVSVSUBS-ZDUSSCGKSA-N	1	0	352.483	1.224	20	30		FDEDRO
COC(=O)[C@]1(C)CN(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C	ZINC000330436837	676690611	/nfs/dbraw/zinc/69/06/11/676690611.db2.gz	YXJRPBHUVLHOJG-LDDOYCOJSA-N	1	0	355.479	1.531	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2c(OC)ncnc2N(C)C)C[C@H]1C	ZINC000330449961	676691341	/nfs/dbraw/zinc/69/13/41/676691341.db2.gz	XVBJMNZUJGXVOP-OLZOCXBDSA-N	1	0	350.467	1.901	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2c(OC)ncnc2N(C)C)C[C@@H]1C	ZINC000330449963	676691368	/nfs/dbraw/zinc/69/13/68/676691368.db2.gz	XVBJMNZUJGXVOP-STQMWFEESA-N	1	0	350.467	1.901	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1	ZINC000330500498	676694025	/nfs/dbraw/zinc/69/40/25/676694025.db2.gz	PHIXOLGNCHJLPR-GJYPPUQNSA-N	1	0	350.507	1.614	20	30		FDEDRO
CS[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)C[C@@H]1[NH+](C)C	ZINC000330499793	676694068	/nfs/dbraw/zinc/69/40/68/676694068.db2.gz	LCZZBNCXHPORNN-OWCLPIDISA-N	1	0	370.563	1.772	20	30		FDEDRO
CC(=O)N[C@@H]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1	ZINC000330619970	676698422	/nfs/dbraw/zinc/69/84/22/676698422.db2.gz	JCHXKJBUENJZJH-LSDHHAIUSA-N	1	0	353.467	1.138	20	30		FDEDRO
C[NH+](C)[C@H]1CCCN(C(=O)NCc2cccc(NS(C)(=O)=O)c2)C1	ZINC000330639027	676699206	/nfs/dbraw/zinc/69/92/06/676699206.db2.gz	PAZCRMBKCRRKGH-HNNXBMFYSA-N	1	0	354.476	1.498	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC(O)(C(F)(F)F)CC2)C1	ZINC000330714098	676701843	/nfs/dbraw/zinc/70/18/43/676701843.db2.gz	XGSIBWHOZOZURN-CYBMUJFWSA-N	1	0	367.412	1.646	20	30		FDEDRO
CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCC(N(C)S(C)(=O)=O)CC1	ZINC000330754846	676702920	/nfs/dbraw/zinc/70/29/20/676702920.db2.gz	JQOHFSLKLVUMAN-HNNXBMFYSA-N	1	0	374.551	1.521	20	30		FDEDRO
CCCS(=O)(=O)NC1CCN(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)CC1	ZINC000330765394	676703307	/nfs/dbraw/zinc/70/33/07/676703307.db2.gz	JXNLXUWSZXIOTI-CQSZACIVSA-N	1	0	372.535	1.345	20	30		FDEDRO
CCOC(=O)C(C)(C)n1cc(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cn1	ZINC000330895278	676708524	/nfs/dbraw/zinc/70/85/24/676708524.db2.gz	RTXAVBOMZQXWQH-STQMWFEESA-N	1	0	351.451	1.751	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)CNC(=O)c2c(F)cccc2Cl)C[C@@H]1C	ZINC000330988605	676712906	/nfs/dbraw/zinc/71/29/06/676712906.db2.gz	RSUCHJXKARZBNI-RYUDHWBXSA-N	1	0	371.840	1.697	20	30		FDEDRO
CNS(=O)(=O)c1ccc(NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)nc1	ZINC000331130886	676718001	/nfs/dbraw/zinc/71/80/01/676718001.db2.gz	BCBSLQJNMCMJMH-LBPRGKRZSA-N	1	0	355.464	1.190	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)CC1	ZINC000331187085	676720844	/nfs/dbraw/zinc/72/08/44/676720844.db2.gz	PBNSMQAKWNBQIA-HUUCEWRRSA-N	1	0	358.508	1.001	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)C[C@H]1C	ZINC000331301430	676726501	/nfs/dbraw/zinc/72/65/01/676726501.db2.gz	VDIKYBADGBZYRF-RISCZKNCSA-N	1	0	372.466	1.823	20	30		FDEDRO
CS[C@H]1CN(C(=O)Nc2cn(C)nc2C(F)(F)F)C[C@H]1[NH+](C)C	ZINC000331328573	676727627	/nfs/dbraw/zinc/72/76/27/676727627.db2.gz	QZOHBNOFWYDUGP-ZJUUUORDSA-N	1	0	351.398	1.962	20	30		FDEDRO
C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1cn(C)nc1C(F)(F)F	ZINC000331335677	676727932	/nfs/dbraw/zinc/72/79/32/676727932.db2.gz	XYAZDYNSAKSULI-JTQLQIEISA-N	1	0	363.384	1.761	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1	ZINC000331965366	676735770	/nfs/dbraw/zinc/73/57/70/676735770.db2.gz	IYZMJLLGBLZYGJ-RHSMWYFYSA-N	1	0	363.483	1.317	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCSC(C)(C)CC2)CC1	ZINC000332252106	676738443	/nfs/dbraw/zinc/73/84/43/676738443.db2.gz	ASFSPDGIOYKUSD-MRXNPFEDSA-N	1	0	352.548	1.896	20	30		FDEDRO
CN(C(C)(C)C[NH+]1CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000416665950	679710911	/nfs/dbraw/zinc/71/09/11/679710911.db2.gz	VYJOWMXRGDHVQQ-UHFFFAOYSA-N	1	0	366.443	1.961	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)c1C#N	ZINC000360700235	676872844	/nfs/dbraw/zinc/87/28/44/676872844.db2.gz	RXVRMSQSFMVDLF-CVEARBPZSA-N	1	0	363.483	1.477	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1Cl	ZINC000362931264	676927628	/nfs/dbraw/zinc/92/76/28/676927628.db2.gz	JATWIDRNRJHQGH-ZIAGYGMSSA-N	1	0	362.817	1.130	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)[C@]2([NH+](C)C)CCCSC2)n1	ZINC000366731663	677463438	/nfs/dbraw/zinc/46/34/38/677463438.db2.gz	UOZGUAWUHHPASM-SFHVURJKSA-N	1	0	364.515	1.319	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1c2ccccc2CC[C@@H]1[NH+](C)C	ZINC000367124652	677488321	/nfs/dbraw/zinc/48/83/21/677488321.db2.gz	JVYSFWHUYBVLKK-COXVUDFISA-N	1	0	350.488	1.530	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000367205387	677490330	/nfs/dbraw/zinc/49/03/30/677490330.db2.gz	ONTVGGHIAUJKNF-KZNAEPCWSA-N	1	0	351.491	1.721	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)CCC(C)(C)C#N)CCN1C1CC[NH+](C)CC1	ZINC000367705435	677495042	/nfs/dbraw/zinc/49/50/42/677495042.db2.gz	MRDWUWNENYGTLB-HNNXBMFYSA-N	1	0	356.536	1.356	20	30		FDEDRO
C#CCCCS(=O)(=O)N1CCC[C@@H](N(C)Cc2noc(C)n2)CC1	ZINC000367795425	677495805	/nfs/dbraw/zinc/49/58/05/677495805.db2.gz	VRJODQZGQOHACK-OAHLLOKOSA-N	1	0	354.476	1.408	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1	ZINC000369118946	677503217	/nfs/dbraw/zinc/50/32/17/677503217.db2.gz	XCVAYTRHPKTBPD-OAHLLOKOSA-N	1	0	358.508	1.042	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1	ZINC000369947277	677530840	/nfs/dbraw/zinc/53/08/40/677530840.db2.gz	FVFWQHPULKNHCL-PVAVHDDUSA-N	1	0	365.503	1.342	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H](N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1=O	ZINC000370226963	677554280	/nfs/dbraw/zinc/55/42/80/677554280.db2.gz	FZSNVIURIKJDPP-PMPSAXMXSA-N	1	0	360.483	1.256	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccc(F)cc3C#N)CC2)C1	ZINC000371949775	677813259	/nfs/dbraw/zinc/81/32/59/677813259.db2.gz	JKFXVABKXUVYQZ-MRXNPFEDSA-N	1	0	366.462	1.098	20	30		FDEDRO
C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cccnc2C#N)c2ccccc2O1	ZINC000372988712	678004046	/nfs/dbraw/zinc/00/40/46/678004046.db2.gz	DAOUESLIUOHFRE-CYBMUJFWSA-N	1	0	358.423	1.471	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1	ZINC000374627922	678088544	/nfs/dbraw/zinc/08/85/44/678088544.db2.gz	DQYQRUUBIQWASG-USXIJHARSA-N	1	0	363.483	1.350	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1	ZINC000375708251	678158719	/nfs/dbraw/zinc/15/87/19/678158719.db2.gz	SOXBDTDKVHSHHD-OAHLLOKOSA-N	1	0	372.535	1.214	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](N3CCOCC3)C[C@H]2C)CC1	ZINC000376327846	678276006	/nfs/dbraw/zinc/27/60/06/678276006.db2.gz	NAJOQXVPPVWCKV-SJLPKXTDSA-N	1	0	350.507	1.532	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1	ZINC000423025996	680772879	/nfs/dbraw/zinc/77/28/79/680772879.db2.gz	PQOWXDRDGMXTIK-OLZOCXBDSA-N	1	0	367.902	1.984	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@@H]2C[N@H+](C)[C@H](c3ccccc3)[C@@H]2C1	ZINC000376985303	678419354	/nfs/dbraw/zinc/41/93/54/678419354.db2.gz	LXCNYKJDDOVSBM-BZZMCLGOSA-N	1	0	362.499	1.557	20	30		FDEDRO
C=CCNc1ncc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)s1	ZINC000378309408	678737516	/nfs/dbraw/zinc/73/75/16/678737516.db2.gz	NMPJAQQEDNDZHI-GJZGRUSLSA-N	1	0	363.531	1.839	20	30		FDEDRO
CNS(=O)(=O)C1CC[NH+](Cc2ccc(N(C)CCC#N)cc2)CC1	ZINC000378332621	678740941	/nfs/dbraw/zinc/74/09/41/678740941.db2.gz	IFMHRSXNNRBGGL-UHFFFAOYSA-N	1	0	350.488	1.550	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC(OCCC[NH+](C)C)CC1	ZINC000409493276	678850813	/nfs/dbraw/zinc/85/08/13/678850813.db2.gz	ITBHVWHNMBSSOU-OAHLLOKOSA-N	1	0	360.524	1.145	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N(CC[NH+](C)C)Cc1ccccn1	ZINC000410142927	678884369	/nfs/dbraw/zinc/88/43/69/678884369.db2.gz	NULNIHMRABOLGV-OAHLLOKOSA-N	1	0	353.492	1.172	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)NCC(C)(C)[NH+]1CCC(OC)CC1	ZINC000410145527	678885012	/nfs/dbraw/zinc/88/50/12/678885012.db2.gz	MRMAFMZGRBFAJK-AWEZNQCLSA-N	1	0	360.524	1.192	20	30		FDEDRO
COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CCCC2(C#N)CCOCC2)C1	ZINC000410333759	678890120	/nfs/dbraw/zinc/89/01/20/678890120.db2.gz	RBNKGXINNKWZKU-SJORKVTESA-N	1	0	351.491	1.950	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc1	ZINC000424009143	680825715	/nfs/dbraw/zinc/82/57/15/680825715.db2.gz	HRDDPCDHNXZLKR-UKRRQHHQSA-N	1	0	351.472	1.208	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NCCNC(=O)c1cccc(Br)c1	ZINC000424109876	680830273	/nfs/dbraw/zinc/83/02/73/680830273.db2.gz	BGOPDJLVLXRSPB-ZDUSSCGKSA-N	1	0	367.247	1.316	20	30		FDEDRO
CCOc1ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc1S(=O)(=O)N(C)C	ZINC000424067617	680828402	/nfs/dbraw/zinc/82/84/02/680828402.db2.gz	PWMQZKQIEZPCRR-CYBMUJFWSA-N	1	0	368.459	1.295	20	30		FDEDRO
CSc1ccccc1OC[C@@H](O)C[N@H+](CC(=O)NCC#N)C(C)C	ZINC000411983318	679139355	/nfs/dbraw/zinc/13/93/55/679139355.db2.gz	LDQWVWAOUZDVEU-AWEZNQCLSA-N	1	0	351.472	1.498	20	30		FDEDRO
Cc1cc2c(ncnc2N2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)s1	ZINC000424172640	680831379	/nfs/dbraw/zinc/83/13/79/680831379.db2.gz	NNMIQYXQGGNJAU-AWEZNQCLSA-N	1	0	358.471	1.670	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC2=CC[NH2+]CC2)cc1	ZINC000414896147	679373118	/nfs/dbraw/zinc/37/31/18/679373118.db2.gz	OLOPVXAYKHDKBH-UHFFFAOYSA-N	1	0	364.471	1.534	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCC(C[NH3+])CC2)c1	ZINC000415308496	679405919	/nfs/dbraw/zinc/40/59/19/679405919.db2.gz	XQMXLEHQLPVKRL-UHFFFAOYSA-N	1	0	352.341	1.295	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)cc1Br	ZINC000415319949	679408001	/nfs/dbraw/zinc/40/80/01/679408001.db2.gz	VBVFTBHGGNQIBL-LLVKDONJSA-N	1	0	351.204	1.127	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC[C@H]1[NH3+]	ZINC000415433240	679430152	/nfs/dbraw/zinc/43/01/52/679430152.db2.gz	AELMIKYYCKMISB-GXSJLCMTSA-N	1	0	352.341	1.294	20	30		FDEDRO
C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000415527505	679445254	/nfs/dbraw/zinc/44/52/54/679445254.db2.gz	RFWZDSRULIUDKI-VHSXEESVSA-N	1	0	354.332	1.711	20	30		FDEDRO
C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000415540453	679447723	/nfs/dbraw/zinc/44/77/23/679447723.db2.gz	LUXWBWDGJUIZQJ-ZJUUUORDSA-N	1	0	365.231	1.455	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)[C@@H](C)C[NH2+]1	ZINC000415554537	679450496	/nfs/dbraw/zinc/45/04/96/679450496.db2.gz	HDXXWGLZSHMAHO-ZJUUUORDSA-N	1	0	352.341	1.307	20	30		FDEDRO
CC(C)[C@](C)(C[NH3+])NC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1	ZINC000415598239	679461579	/nfs/dbraw/zinc/46/15/79/679461579.db2.gz	KJDVNDAGYXALTJ-LRDDRELGSA-N	1	0	352.460	1.867	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C)[C@H](C)[NH3+]	ZINC000415815657	679512645	/nfs/dbraw/zinc/51/26/45/679512645.db2.gz	WRZJEWPMGNPMOM-VHSXEESVSA-N	1	0	370.247	1.804	20	30		FDEDRO
CC(C)(C)c1csc(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)c1C#N	ZINC000415843661	679523165	/nfs/dbraw/zinc/52/31/65/679523165.db2.gz	YIRNDGSEYHYZED-NSHDSACASA-N	1	0	364.471	1.350	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](CC[NH3+])C(F)(F)F	ZINC000416015911	679544664	/nfs/dbraw/zinc/54/46/64/679544664.db2.gz	WLFYDFHIHXVHNT-CQSZACIVSA-N	1	0	358.364	1.996	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)NCc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1	ZINC000416378139	679594354	/nfs/dbraw/zinc/59/43/54/679594354.db2.gz	XAPMXMNBSBGKTO-ZNMIVQPWSA-N	1	0	351.472	1.627	20	30		FDEDRO
C[NH+](C)CC(C)(C)NS(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416509176	679643265	/nfs/dbraw/zinc/64/32/65/679643265.db2.gz	QKEIZMCPAHKLPU-UHFFFAOYSA-N	1	0	360.277	1.939	20	30		FDEDRO
Cc1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)nn1CC(F)(F)F	ZINC000417666794	679914062	/nfs/dbraw/zinc/91/40/62/679914062.db2.gz	SANGKQJOPAJTHM-UHFFFAOYSA-N	1	0	360.384	2.453	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1	ZINC000418921544	680153787	/nfs/dbraw/zinc/15/37/87/680153787.db2.gz	MBEGSYKGDRDISP-AWEZNQCLSA-N	1	0	360.483	1.023	20	30		FDEDRO
[NH3+][C@@H](CNC(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CC1	ZINC000419117225	680193269	/nfs/dbraw/zinc/19/32/69/680193269.db2.gz	PTTNFBYCMCWMLZ-AWEZNQCLSA-N	1	0	353.344	1.027	20	30		FDEDRO
C[C@H]1C[N@H+](CCO)[C@@H](C)CN1CC(=O)Nc1cc(Cl)ccc1C#N	ZINC000419341729	680239924	/nfs/dbraw/zinc/23/99/24/680239924.db2.gz	OSQFQQKOBGJHOG-STQMWFEESA-N	1	0	350.850	1.537	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)c1ccc(F)c(F)c1	ZINC000419676780	680316870	/nfs/dbraw/zinc/31/68/70/680316870.db2.gz	MBJLAFJSPHBTMJ-CJNGLKHVSA-N	1	0	351.397	1.957	20	30		FDEDRO
CN(CC(C)(C)C[NH3+])S(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000420438522	680451027	/nfs/dbraw/zinc/45/10/27/680451027.db2.gz	AFEPNAFLGXRPCM-UHFFFAOYSA-N	1	0	360.277	1.926	20	30		FDEDRO
C[C@@H]1CC[C@@H](O)C[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000420995844	680586284	/nfs/dbraw/zinc/58/62/84/680586284.db2.gz	ABYCZIAHPDZHDP-BZUAXINKSA-N	1	0	362.499	1.302	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2CC(=O)N(CC[N@@H+](C)CCOC)C2)CCCC1	ZINC000425309161	680893677	/nfs/dbraw/zinc/89/36/77/680893677.db2.gz	CWKKJKUSAUYMTG-MRXNPFEDSA-N	1	0	351.491	1.418	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](C1CCOCC1)C1(CO)CCC1	ZINC000425540753	680908651	/nfs/dbraw/zinc/90/86/51/680908651.db2.gz	LYFRRWNVXAEILZ-QZTJIDSGSA-N	1	0	351.491	1.588	20	30		FDEDRO
C=CCn1cc(CNC(=O)N2CC[C@H](OCC[NH+](CC)CC)C2)nn1	ZINC000425568500	680910317	/nfs/dbraw/zinc/91/03/17/680910317.db2.gz	WBIAWGAAIJVLMP-INIZCTEOSA-N	1	0	350.467	1.106	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1	ZINC000425886999	680939306	/nfs/dbraw/zinc/93/93/06/680939306.db2.gz	AGTBLGHKALUEFJ-HOTGVXAUSA-N	1	0	365.499	1.346	20	30		FDEDRO
N#Cc1ccc(NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c(Cl)c1	ZINC000426142917	680948933	/nfs/dbraw/zinc/94/89/33/680948933.db2.gz	XBFKDNDOPQFJSF-ZDUSSCGKSA-N	1	0	363.849	1.921	20	30		FDEDRO
CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccc(C#N)cc1	ZINC000429725142	681046254	/nfs/dbraw/zinc/04/62/54/681046254.db2.gz	RUITWUPLYOBLLC-HZPDHXFCSA-N	1	0	364.471	1.337	20	30		FDEDRO
CC1(C)CCC[NH2+][C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000430355302	681072741	/nfs/dbraw/zinc/07/27/41/681072741.db2.gz	LZCCBTWCZPKCBU-CQSZACIVSA-N	1	0	352.416	1.523	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C	ZINC000430401598	681075260	/nfs/dbraw/zinc/07/52/60/681075260.db2.gz	CIJIHXCNPWQBNU-BBWFWOEESA-N	1	0	351.491	1.417	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C	ZINC000430401654	681075271	/nfs/dbraw/zinc/07/52/71/681075271.db2.gz	CLRZBSYOEKUUOD-YVSFHVDLSA-N	1	0	351.491	1.463	20	30		FDEDRO
N#Cc1ccc([C@@H]([NH2+]CC2CCN(CC(F)(F)F)CC2)C(N)=O)cc1	ZINC000435999641	681655098	/nfs/dbraw/zinc/65/50/98/681655098.db2.gz	JKDITYDIPIAKQE-OAHLLOKOSA-N	1	0	354.376	1.949	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N(Cc1scnc1C)C[C@H]1CC[NH2+]C1	ZINC000436053974	681659631	/nfs/dbraw/zinc/65/96/31/681659631.db2.gz	OXHSNJZODFZOCL-KGLIPLIRSA-N	1	0	365.503	1.263	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c1	ZINC000440348151	681989398	/nfs/dbraw/zinc/98/93/98/681989398.db2.gz	XCSSKNKXNXSAEB-HIFRSBDPSA-N	1	0	351.472	1.269	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2cccc(Cl)c2C#N)CC1	ZINC000443508170	682314638	/nfs/dbraw/zinc/31/46/38/682314638.db2.gz	JWHNSAYLNGFAKS-UHFFFAOYSA-N	1	0	371.890	1.725	20	30		FDEDRO
C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1	ZINC000447253829	682541311	/nfs/dbraw/zinc/54/13/11/682541311.db2.gz	CEFLKNPRPWJSRJ-KOLCDFICSA-N	1	0	358.261	1.679	20	30		FDEDRO
N#Cc1c(NC(=O)CC[NH2+][C@H](CO)[C@@H]2CCCO2)sc2c1CCCC2	ZINC000447920909	682579336	/nfs/dbraw/zinc/57/93/36/682579336.db2.gz	ISTVSLQGKLYVND-CABCVRRESA-N	1	0	363.483	1.957	20	30		FDEDRO
C[NH+](C)CCOCCNC(=O)COc1ccc(C#N)c(Br)c1	ZINC000450443342	682761009	/nfs/dbraw/zinc/76/10/09/682761009.db2.gz	VFZDNNIINRRDIV-UHFFFAOYSA-N	1	0	370.247	1.394	20	30		FDEDRO
CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000452054319	683012510	/nfs/dbraw/zinc/01/25/10/683012510.db2.gz	FOXFVEPCMKCECR-UHFFFAOYSA-N	1	0	350.488	1.253	20	30		FDEDRO
N#Cc1cccc(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)c1Br	ZINC000452372225	683061884	/nfs/dbraw/zinc/06/18/84/683061884.db2.gz	IWPVFHAADKBMPS-ZDUSSCGKSA-N	1	0	366.259	1.897	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(CC#N)cc3Cl)[C@H]2C1	ZINC000453705286	683191246	/nfs/dbraw/zinc/19/12/46/683191246.db2.gz	UTFPRSWQPYLNKV-CJNGLKHVSA-N	1	0	360.845	1.897	20	30		FDEDRO
CC(C)(CNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1)C[NH+]1CCCC1	ZINC000453718647	683194759	/nfs/dbraw/zinc/19/47/59/683194759.db2.gz	GWKDXVQSRKZOLO-UHFFFAOYSA-N	1	0	363.849	1.783	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](CC(C)(C)C(N)=O)C2)CC1	ZINC000454535998	683331424	/nfs/dbraw/zinc/33/14/24/683331424.db2.gz	GAGNPOXNJSJLJA-HNNXBMFYSA-N	1	0	350.507	1.960	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[NH+]([C@@H](C)CC)CC2)cc1	ZINC000456550889	683643495	/nfs/dbraw/zinc/64/34/95/683643495.db2.gz	LYESGCDQSHKNEQ-HNNXBMFYSA-N	1	0	365.499	1.707	20	30		FDEDRO
C=CCC[C@@H](CO)NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	ZINC000458535031	684281305	/nfs/dbraw/zinc/28/13/05/684281305.db2.gz	RNKBNBIJYNXRLZ-KRWDZBQOSA-N	1	0	353.507	1.895	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N(CCC)CCN1CC[NH+](CC)CC1	ZINC000459036106	684358931	/nfs/dbraw/zinc/35/89/31/684358931.db2.gz	DKSGQRNBCZKWRW-MSOLQXFVSA-N	1	0	352.523	1.779	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1	ZINC000462326669	684629280	/nfs/dbraw/zinc/62/92/80/684629280.db2.gz	SZMBUJKNRFIFOT-GOEBONIOSA-N	1	0	365.499	1.706	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](N[C@H](C)C(=O)NC2(C#N)CCC2)[C@H](C)C1	ZINC000469793326	684986374	/nfs/dbraw/zinc/98/63/74/684986374.db2.gz	CXOWDEPZVBZNLX-ZACQAIPSSA-N	1	0	350.507	1.664	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1	ZINC000481021723	686281520	/nfs/dbraw/zinc/28/15/20/686281520.db2.gz	XZGROIUREHPYDD-HUUCEWRRSA-N	1	0	355.548	1.895	20	30		FDEDRO
C=C(C)C[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1	ZINC000481251737	686312192	/nfs/dbraw/zinc/31/21/92/686312192.db2.gz	FRPCMHKFRIQMCG-UHFFFAOYSA-N	1	0	369.462	1.167	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3ccc(C#N)c(F)c3)C2)CC1	ZINC000489180703	687082960	/nfs/dbraw/zinc/08/29/60/687082960.db2.gz	GMRVVCPXWZJKGX-HNNXBMFYSA-N	1	0	366.462	1.098	20	30		FDEDRO
C=CCn1cccc1C(=O)N(CC[NH+](CC)CC)[C@H]1CCS(=O)(=O)C1	ZINC000489991118	687125220	/nfs/dbraw/zinc/12/52/20/687125220.db2.gz	VGXNUBTUEZGLHL-INIZCTEOSA-N	1	0	367.515	1.645	20	30		FDEDRO
CC[NH+](CC)CCN(C(=O)c1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1	ZINC000490106479	687133067	/nfs/dbraw/zinc/13/30/67/687133067.db2.gz	OTWYZFRTVQESIL-ZDUSSCGKSA-N	1	0	353.444	1.122	20	30		FDEDRO
C=CC[C@H](CO)C[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000493600072	687436715	/nfs/dbraw/zinc/43/67/15/687436715.db2.gz	AJBMGFAVTKZQSP-HNNXBMFYSA-N	1	0	368.499	1.623	20	30		FDEDRO
N#CCCCS(=O)(=O)c1ccc(C(=O)NCCC[NH+]2CCCC2)cc1	ZINC000494110633	687492019	/nfs/dbraw/zinc/49/20/19/687492019.db2.gz	QTBZKNCCWKGHFF-UHFFFAOYSA-N	1	0	363.483	1.980	20	30		FDEDRO
COCCC[N@H+](CCCC1(C#N)CCOCC1)[C@@H]1CCS(=O)(=O)C1	ZINC000499535147	687964159	/nfs/dbraw/zinc/96/41/59/687964159.db2.gz	ZWPCPWWBIGZWQT-MRXNPFEDSA-N	1	0	358.504	1.613	20	30		FDEDRO
N#CC1(CCC[N@H+](C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CCOCC1	ZINC000499581007	687967578	/nfs/dbraw/zinc/96/75/78/687967578.db2.gz	DXLYERKERRPWAS-IRXDYDNUSA-N	1	0	370.515	1.755	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1	ZINC000511064590	689457516	/nfs/dbraw/zinc/45/75/16/689457516.db2.gz	LCMLYPYLZJYQED-CVEARBPZSA-N	1	0	359.536	1.403	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@@H]1CCC[C@H]1O	ZINC000511609920	689541208	/nfs/dbraw/zinc/54/12/08/689541208.db2.gz	KDKCTSVNPXUDSD-BZUAXINKSA-N	1	0	362.499	1.302	20	30		FDEDRO
COC1CCC(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1	ZINC000517129691	690036269	/nfs/dbraw/zinc/03/62/69/690036269.db2.gz	KEHITRPCWWRPJP-UHFFFAOYSA-N	1	0	351.472	1.912	20	30		FDEDRO
C=CCOc1ccccc1C[NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1	ZINC000521172502	690390088	/nfs/dbraw/zinc/39/00/88/690390088.db2.gz	URQCEZVOQSWLTK-KRWDZBQOSA-N	1	0	368.499	1.830	20	30		FDEDRO
N#Cc1ccc(Cc2cnc(NC(=O)NC[C@H]3COCC[NH2+]3)s2)cc1	ZINC000528668993	694741555	/nfs/dbraw/zinc/74/15/55/694741555.db2.gz	RJYPUAINYOMHKU-AWEZNQCLSA-N	1	0	357.439	1.715	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2cnc(C)s2)CC1	ZINC000636677631	695195632	/nfs/dbraw/zinc/19/56/32/695195632.db2.gz	VXNLUHSOKIAJHY-LBPRGKRZSA-N	1	0	350.488	1.785	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1	ZINC000639027098	695421694	/nfs/dbraw/zinc/42/16/94/695421694.db2.gz	JVKJBFMEBNNQQY-NVXWUHKLSA-N	1	0	363.483	1.365	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1NC[C@@H](C)N1CC[NH+](C)CC1	ZINC000641335436	696055678	/nfs/dbraw/zinc/05/56/78/696055678.db2.gz	KKOSDQOIDSOVMZ-OAHLLOKOSA-N	1	0	352.504	1.199	20	30		FDEDRO
COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CCN2CC[NH2+]C[C@@H]2C1	ZINC001164399254	718836621	/nfs/dbraw/zinc/83/66/21/718836621.db2.gz	RBASSKRQKOCTSH-MRXNPFEDSA-N	1	0	372.545	1.191	20	30		FDEDRO
COc1cc(C(F)(F)N2C[C@@H]3C[NH2+]C[C@@]3(CO)C2)c(C#N)c(Cl)n1	ZINC001164404584	718852388	/nfs/dbraw/zinc/85/23/88/718852388.db2.gz	KJSXNPBQHVHKTJ-XPTSAGLGSA-N	1	0	358.776	1.178	20	30		FDEDRO
C[N@@H+]1CCO[C@@H]2CN(c3ccc([C@@H](C#N)c4ccccc4F)nn3)C[C@H]21	ZINC001164673108	719408301	/nfs/dbraw/zinc/40/83/01/719408301.db2.gz	SKZPIWJITFJIAJ-BMGDILEWSA-N	1	0	353.401	1.790	20	30		FDEDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cnc(C#N)c(C#N)n1)C2	ZINC001164812410	720176172	/nfs/dbraw/zinc/17/61/72/720176172.db2.gz	ALVARBWWPWBHDD-DNVCBOLYSA-N	1	0	352.442	1.405	20	30		FDEDRO
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nccnc1C#N)CCC2	ZINC001164813260	720210677	/nfs/dbraw/zinc/21/06/77/720210677.db2.gz	NWKWEJJTEFDOOO-UHFFFAOYSA-N	1	0	353.430	1.155	20	30		FDEDRO
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cncc(C#N)n2)CC1	ZINC001164818898	720303096	/nfs/dbraw/zinc/30/30/96/720303096.db2.gz	BKITXUSXAMZISO-IRXDYDNUSA-N	1	0	354.458	1.260	20	30		FDEDRO
CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cnc(C#N)cn3)CC[C@@H]21	ZINC001164833707	720517078	/nfs/dbraw/zinc/51/70/78/720517078.db2.gz	DOODLHUDBFCVNQ-NJAFHUGGSA-N	1	0	351.458	1.923	20	30		FDEDRO
N#Cc1cnc(Cl)cc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164738299	720627082	/nfs/dbraw/zinc/62/70/82/720627082.db2.gz	BUANUJKYEQXKOB-KBPBESRZSA-N	1	0	356.817	1.739	20	30		FDEDRO
N#Cc1cnc2cc[nH]c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c1-2	ZINC001164739882	720745898	/nfs/dbraw/zinc/74/58/98/720745898.db2.gz	JFPKXCBESNNFDI-CABCVRRESA-N	1	0	361.409	1.566	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3cc(Cl)cc(C#N)n3)CC[C@@H]2C1	ZINC001164851872	720849691	/nfs/dbraw/zinc/84/96/91/720849691.db2.gz	IJCRTXBUXPVOJL-CZUORRHYSA-N	1	0	350.850	1.780	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3ncc4c(C#N)c[nH]c4n3)CC[C@H]2C1	ZINC001164862173	720868298	/nfs/dbraw/zinc/86/82/98/720868298.db2.gz	ZJVYCHLLDPRIDA-BBRMVZONSA-N	1	0	356.430	1.003	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(C#N)cc(Cl)n1)CC2	ZINC001164753143	720944276	/nfs/dbraw/zinc/94/42/76/720944276.db2.gz	QKNYTJJRIVLUIY-UHFFFAOYSA-N	1	0	374.832	1.449	20	30		FDEDRO
Cc1cnc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)c(C=NO)c1	ZINC001164751708	720960720	/nfs/dbraw/zinc/96/07/20/720960720.db2.gz	SFLRGBCENNDQEM-UHFFFAOYSA-N	1	0	372.429	1.040	20	30		FDEDRO
N#Cc1cnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(C#N)c1	ZINC001164867060	721068346	/nfs/dbraw/zinc/06/83/46/721068346.db2.gz	HEJKIOMJUUTSBP-OALUTQOASA-N	1	0	360.421	1.700	20	30		FDEDRO
Cc1nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)cnc1C#N	ZINC001164871041	721128587	/nfs/dbraw/zinc/12/85/87/721128587.db2.gz	DBAVMVZFOSDCOT-DLBZAZTESA-N	1	0	350.426	1.531	20	30		FDEDRO
COc1nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1C#N	ZINC001164898565	721522110	/nfs/dbraw/zinc/52/21/10/721522110.db2.gz	IWFTZFITMLAPJE-WBVHZDCISA-N	1	0	369.400	1.838	20	30		FDEDRO
CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc3c(cc2C#N)CCC3)CC1	ZINC001165009215	721745096	/nfs/dbraw/zinc/74/50/96/721745096.db2.gz	AGDFOADZEYUIAT-UHFFFAOYSA-N	1	0	367.497	1.965	20	30		FDEDRO
Cc1nc(C#N)cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1	ZINC001164977158	722155792	/nfs/dbraw/zinc/15/57/92/722155792.db2.gz	XTJGWQPYXHJCAV-MJGOQNOKSA-N	1	0	364.453	1.779	20	30		FDEDRO
Cc1nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)ccc1C#N	ZINC001165002274	722254833	/nfs/dbraw/zinc/25/48/33/722254833.db2.gz	MVEWRMBWOBYHHD-UHFFFAOYSA-N	1	0	354.458	1.947	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1	ZINC000684787564	782265635	/nfs/dbraw/zinc/26/56/35/782265635.db2.gz	BZHBSBSGZUTVSP-MJGOQNOKSA-N	1	0	373.501	1.614	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21	ZINC000972138993	782453347	/nfs/dbraw/zinc/45/33/47/782453347.db2.gz	YTIXNTXYMVWQRO-CEXWTWQISA-N	1	0	357.498	1.722	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21	ZINC000972151748	782546207	/nfs/dbraw/zinc/54/62/07/782546207.db2.gz	DZGKDTXBMXCSLE-KBAYOESNSA-N	1	0	369.469	1.432	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1	ZINC001022720957	782604984	/nfs/dbraw/zinc/60/49/84/782604984.db2.gz	UBQLGSOAYAVSJZ-VVLHAWIVSA-N	1	0	370.453	1.028	20	30		FDEDRO
COCCOCCOCCCNC(=[NH2+])NCc1ccc(OC)c(OC)c1	ZINC000274513897	768841321	/nfs/dbraw/zinc/84/13/21/768841321.db2.gz	VVWGNPNVODVNSW-UHFFFAOYSA-N	1	0	369.462	1.178	20	30		FDEDRO
C=C(Cl)CN1C[C@H]2OCCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@H]2C1	ZINC001083244611	782699788	/nfs/dbraw/zinc/69/97/88/782699788.db2.gz	DAXNTHVNDSRKBM-ZWKOTPCHSA-N	1	0	367.921	1.773	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cccc(C)c2F)C[C@H]1C	ZINC001104222922	769024729	/nfs/dbraw/zinc/02/47/29/769024729.db2.gz	FOKNWUTUAMPERX-HZPDHXFCSA-N	1	0	359.445	1.571	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1	ZINC000274750929	769840602	/nfs/dbraw/zinc/84/06/02/769840602.db2.gz	HFEJOVQERMGYKR-MRXNPFEDSA-N	1	0	355.438	1.724	20	30		FDEDRO
C=CCNC(=O)CN1C[C@@H](C)[C@H](NC(=O)c2cnc(C(C)C)s2)C1	ZINC001211499543	769945783	/nfs/dbraw/zinc/94/57/83/769945783.db2.gz	QGCGTEXHRVKPMJ-CHWSQXEVSA-N	1	0	350.488	1.619	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCO[C@@H]3C[N@H+](C[C@@H]4CCCOC4)C[C@@H]32)c1	ZINC001083188334	769982014	/nfs/dbraw/zinc/98/20/14/769982014.db2.gz	QBCCZEVXSZXAGW-YTQUADARSA-N	1	0	355.438	1.015	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCC[C@@H]2CC)C1	ZINC001022736928	782798368	/nfs/dbraw/zinc/79/83/68/782798368.db2.gz	JVVCZEMNDOERLI-RZFLPCETSA-N	1	0	363.502	1.605	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+][C@@H]2CCN(C)C2=O)c1	ZINC001087211200	782825955	/nfs/dbraw/zinc/82/59/55/782825955.db2.gz	WWAGQPVTJIOXAF-FHLIZLRMSA-N	1	0	354.454	1.124	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)CC(F)(F)F)C[C@H]1C	ZINC001104226912	770416842	/nfs/dbraw/zinc/41/68/42/770416842.db2.gz	FLLHYWAYXLSFFF-MGPQQGTHSA-N	1	0	361.408	1.541	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2ccccn2)C1=O	ZINC001087109948	770439126	/nfs/dbraw/zinc/43/91/26/770439126.db2.gz	NWDMPXAUPHPQIQ-SOLBZPMBSA-N	1	0	356.470	1.699	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3cn(C)nc3Cl)[C@H]2C1	ZINC001083191906	770794629	/nfs/dbraw/zinc/79/46/29/770794629.db2.gz	YPEXSWPIDATQJX-LSDHHAIUSA-N	1	0	352.866	1.494	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	ZINC000274897101	770964058	/nfs/dbraw/zinc/96/40/58/770964058.db2.gz	CXVVRGFZPKCNCV-MQVJKMGUSA-N	1	0	355.438	1.769	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCCCCCC2)C1	ZINC001020604736	770981887	/nfs/dbraw/zinc/98/18/87/770981887.db2.gz	MFJRLAMROHZYNE-TVFCKZIOSA-N	1	0	363.502	1.607	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)cc1F	ZINC000969972219	771148607	/nfs/dbraw/zinc/14/86/07/771148607.db2.gz	BUOJSLGADXIENI-IJEWVQPXSA-N	1	0	358.417	1.289	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc3n(n2)CCC3)C1	ZINC001020714284	771286608	/nfs/dbraw/zinc/28/66/08/771286608.db2.gz	QSMMWZAGJHJPTC-LNMJFAINSA-N	1	0	358.486	1.937	20	30		FDEDRO
C[NH+](C)C[C@@](C)(O)CNC(=O)c1cnn(CCC#N)c1-c1ccccc1	ZINC000430302404	771300150	/nfs/dbraw/zinc/30/01/50/771300150.db2.gz	RFLXABKHGNIZFE-IBGZPJMESA-N	1	0	355.442	1.506	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1	ZINC001020728854	771310298	/nfs/dbraw/zinc/31/02/98/771310298.db2.gz	IHXOQRIXMCRIQR-XSLAGTTESA-N	1	0	357.454	1.504	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1	ZINC001167108659	771334284	/nfs/dbraw/zinc/33/42/84/771334284.db2.gz	OXZSVSRUESBYRB-DLBZAZTESA-N	1	0	361.490	1.044	20	30		FDEDRO
N#Cc1cc(C[NH2+]CC2(CCNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)ccc1F	ZINC001167245009	771798336	/nfs/dbraw/zinc/79/83/36/771798336.db2.gz	MYOUMHPLQZZYKO-CABCVRRESA-N	1	0	358.417	1.195	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cc3ccsc3)[C@@H]2C1	ZINC001020999467	771825740	/nfs/dbraw/zinc/82/57/40/771825740.db2.gz	OZOYCJNKMQJUBU-OKZBNKHCSA-N	1	0	371.506	1.448	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)N(CC)C2CC2)CC1	ZINC001167277263	771854607	/nfs/dbraw/zinc/85/46/07/771854607.db2.gz	FUYGKTZVRBKEDS-SJORKVTESA-N	1	0	363.502	1.465	20	30		FDEDRO
Cc1cc(NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)nn1CCC#N	ZINC000275544553	771892323	/nfs/dbraw/zinc/89/23/23/771892323.db2.gz	ATYLMYALLXJMBX-UHFFFAOYSA-N	1	0	373.505	1.785	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)c4occc4C)[C@@H]3C2)CC1	ZINC001021084174	772087542	/nfs/dbraw/zinc/08/75/42/772087542.db2.gz	GHDPZHCMTUERBP-ZWKOTPCHSA-N	1	0	369.465	1.606	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[NH2+]C[C@H]2CCC)cc1	ZINC000646962536	772170333	/nfs/dbraw/zinc/17/03/33/772170333.db2.gz	QDHGMYJQSHIKPG-OAHLLOKOSA-N	1	0	351.472	1.365	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](NCc2csnc2OC)C1	ZINC000970242309	772185194	/nfs/dbraw/zinc/18/51/94/772185194.db2.gz	WJMCORCZDUPKTJ-ILXRZTDVSA-N	1	0	351.472	1.823	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](NCc2nnc(C)n2C2CC2)C1	ZINC000970242312	772185216	/nfs/dbraw/zinc/18/52/16/772185216.db2.gz	WLPPUBJIJNHCKP-HFTRVMKXSA-N	1	0	359.474	1.593	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@@H]2O)CC1	ZINC000970336372	772361448	/nfs/dbraw/zinc/36/14/48/772361448.db2.gz	LEVBGGKFCKASRP-KURKYZTESA-N	1	0	363.502	1.295	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]2O)CC1	ZINC000970333595	772378545	/nfs/dbraw/zinc/37/85/45/772378545.db2.gz	JGGXXBXNYBANLU-IKGGRYGDSA-N	1	0	351.491	1.007	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CC(F)(F)F)[C@@H]2C1	ZINC001021196596	772436273	/nfs/dbraw/zinc/43/62/73/772436273.db2.gz	RUCMCZDQBLEDSS-MELADBBJSA-N	1	0	357.376	1.096	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)CC(F)(F)F)[C@@H]3C2)CC1	ZINC001021197301	772438399	/nfs/dbraw/zinc/43/83/99/772438399.db2.gz	JTCCPGCABJUPDG-LSDHHAIUSA-N	1	0	371.403	1.343	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2O)C1	ZINC000970394660	772544013	/nfs/dbraw/zinc/54/40/13/772544013.db2.gz	DDYCSBQQVZGJPV-CVEARBPZSA-N	1	0	363.502	1.295	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CCN1c1cc[nH+]cc1	ZINC000890986129	772644529	/nfs/dbraw/zinc/64/45/29/772644529.db2.gz	GOZASZWSYRGFRC-ZDUSSCGKSA-N	1	0	367.384	1.768	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NC)C1	ZINC001211549260	783040553	/nfs/dbraw/zinc/04/05/53/783040553.db2.gz	DNQAFKJEPPAWIG-BPQIPLTHSA-N	1	0	359.470	1.298	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1c1ccccc1	ZINC001211549360	783043857	/nfs/dbraw/zinc/04/38/57/783043857.db2.gz	GILQMKHTTVOORY-VQTJNVASSA-N	1	0	366.465	1.197	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCc2ccon2)C[C@H]1C	ZINC001104419309	783062375	/nfs/dbraw/zinc/06/23/75/783062375.db2.gz	DNXUXCNUICUUKH-BZUAXINKSA-N	1	0	362.474	1.372	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCC(C)([NH3+])CC1)C(C)C	ZINC000642769835	773255889	/nfs/dbraw/zinc/25/58/89/773255889.db2.gz	DLBKYEABEYXGLM-INIZCTEOSA-N	1	0	350.507	1.141	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC#C[C@H]2CCCCO2)CC1=O	ZINC000891126069	773335868	/nfs/dbraw/zinc/33/58/68/773335868.db2.gz	FMIFZZNHZUVHGI-RCCFBDPRSA-N	1	0	361.486	1.008	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000656069961	773516900	/nfs/dbraw/zinc/51/69/00/773516900.db2.gz	UZERPXRSSMAEGJ-GOSISDBHSA-N	1	0	364.534	1.476	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000656069962	773516989	/nfs/dbraw/zinc/51/69/89/773516989.db2.gz	UZERPXRSSMAEGJ-SFHVURJKSA-N	1	0	364.534	1.476	20	30		FDEDRO
O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)N1CC[C@](F)(CO)C1	ZINC000328694954	773549362	/nfs/dbraw/zinc/54/93/62/773549362.db2.gz	KGWLUWBADYDRHY-LJQANCHMSA-N	1	0	365.449	1.464	20	30		FDEDRO
C[C@@H]1CCN(C(=O)CCn2cncn2)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087122451	773686601	/nfs/dbraw/zinc/68/66/01/773686601.db2.gz	TVHLZDIXOLCAMR-APWZRJJASA-N	1	0	366.469	1.957	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn(C(C)C)cn1)C2	ZINC001112493057	773749508	/nfs/dbraw/zinc/74/95/08/773749508.db2.gz	NJXHXUXIBUHELM-JXFKEZNVSA-N	1	0	371.485	1.045	20	30		FDEDRO
C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000655300025	773756407	/nfs/dbraw/zinc/75/64/07/773756407.db2.gz	WDVPAGMRUJFHSK-DLBZAZTESA-N	1	0	368.437	1.328	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)CC1	ZINC000050031056	773910159	/nfs/dbraw/zinc/91/01/59/773910159.db2.gz	SPRYXHGFRZWTAL-UHFFFAOYSA-N	1	0	369.465	1.372	20	30		FDEDRO
C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)n1cnc(C#N)n1	ZINC000891246661	774089482	/nfs/dbraw/zinc/08/94/82/774089482.db2.gz	DJLPFVRTIJLIOL-CZUORRHYSA-N	1	0	355.446	1.196	20	30		FDEDRO
Cc1ccnn1CC(=O)N1CCO[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@@H]21	ZINC001083209419	774305209	/nfs/dbraw/zinc/30/52/09/774305209.db2.gz	FZMPOTHHLAVOIU-RBUKOAKNSA-N	1	0	365.437	1.175	20	30		FDEDRO
C[C@H](C(=O)N1CC[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21)[NH+]1CCCCCC1	ZINC001021635756	774318675	/nfs/dbraw/zinc/31/86/75/774318675.db2.gz	UCHJYUMSHKJJHC-NZSAHSFTSA-N	1	0	357.498	1.724	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C)c(C)n2)C[C@H]1C	ZINC001104421430	783175566	/nfs/dbraw/zinc/17/55/66/783175566.db2.gz	SWZHPOORTUUNNG-NVXWUHKLSA-N	1	0	356.470	1.136	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnoc2C)C1	ZINC001104305983	774437801	/nfs/dbraw/zinc/43/78/01/774437801.db2.gz	DOIGLENPOLTFKF-SUMDDJOVSA-N	1	0	358.486	1.655	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1	ZINC000275908110	774479137	/nfs/dbraw/zinc/47/91/37/774479137.db2.gz	RXXYZFRJRPIILN-HNNXBMFYSA-N	1	0	357.454	1.826	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087134704	774637961	/nfs/dbraw/zinc/63/79/61/774637961.db2.gz	BWLAAVGPKSYACR-FHLIZLRMSA-N	1	0	354.454	1.554	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)c4ccncc4)[C@@H]3C2)CC1	ZINC000971088664	774684528	/nfs/dbraw/zinc/68/45/28/774684528.db2.gz	BDSFLZHMLHCURF-RTBURBONSA-N	1	0	366.465	1.100	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(-c4ccccn4)c3)[C@H]2C1	ZINC001083211627	774728845	/nfs/dbraw/zinc/72/88/45/774728845.db2.gz	IWYHGMBPTGDNGX-ZWKOTPCHSA-N	1	0	367.453	1.759	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc3cc[nH]c3n2)C[C@H]1C	ZINC001104322652	774953717	/nfs/dbraw/zinc/95/37/17/774953717.db2.gz	WAVOJYVNCBTCKN-GDBMZVCRSA-N	1	0	367.453	1.000	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH]c4c3cccc4C)[C@H]2C1	ZINC001083213464	775202891	/nfs/dbraw/zinc/20/28/91/775202891.db2.gz	BEIVRZOOOSJGDO-RBUKOAKNSA-N	1	0	351.450	1.954	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)CN2C(=O)Cc3ccccc32)C[C@H]1C	ZINC001104724902	790398419	/nfs/dbraw/zinc/39/84/19/790398419.db2.gz	LOVIOYPAIATEOQ-SJLPKXTDSA-N	1	0	353.466	1.673	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H](C[NH2+][C@@H]2CCCN(C)C2=O)C1	ZINC001087151165	775994682	/nfs/dbraw/zinc/99/46/82/775994682.db2.gz	YFVNEYGWHZWFGJ-VNQPRFMTSA-N	1	0	357.458	1.337	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cn3c(n2)C[C@@H](OC)CC3)C[C@H]1C	ZINC001104345110	776016379	/nfs/dbraw/zinc/01/63/79/776016379.db2.gz	AWMJXNBQTFKKGR-ZACQAIPSSA-N	1	0	358.486	1.555	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)CCOC)C[C@H]2c2ccccc2)C1=O	ZINC001211512986	776044315	/nfs/dbraw/zinc/04/43/15/776044315.db2.gz	HJTFFLDMHULSAW-GBESFXJTSA-N	1	0	371.481	1.394	20	30		FDEDRO
COc1cc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2c[nH]c(C#N)c2)on1	ZINC001087152296	776077937	/nfs/dbraw/zinc/07/79/37/776077937.db2.gz	SEHQUHZHDBWDKK-DOMZBBRYSA-N	1	0	357.414	1.913	20	30		FDEDRO
CC(C)C[C@@H]1C[N@H+](C)CCN1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000933252548	776411768	/nfs/dbraw/zinc/41/17/68/776411768.db2.gz	YNWQZGRRSYBWQO-MOPGFXCFSA-N	1	0	363.550	1.341	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)CCC4CC4)C[C@H]32)CC1	ZINC001021884396	776499521	/nfs/dbraw/zinc/49/95/21/776499521.db2.gz	YCQVZXKFDSZGCM-RBUKOAKNSA-N	1	0	357.498	1.581	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@@H](C)C(C)C)C[C@H]32)CC1	ZINC001021886699	776501464	/nfs/dbraw/zinc/50/14/64/776501464.db2.gz	PBRSBZFUISVRGL-YTQUADARSA-N	1	0	359.514	1.683	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cccc(OC)c2C)C[C@H]1C	ZINC001104732110	790459732	/nfs/dbraw/zinc/45/97/32/790459732.db2.gz	OMLJYERAXZLZGP-NVXWUHKLSA-N	1	0	371.481	1.441	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@H]21	ZINC001021939738	776752540	/nfs/dbraw/zinc/75/25/40/776752540.db2.gz	QQBZATSVDCYWGH-JENIJYKNSA-N	1	0	370.497	1.831	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H]2CCNC(=O)C2)C1	ZINC001075419890	776770071	/nfs/dbraw/zinc/77/00/71/776770071.db2.gz	CEAHWLPOLXCSKD-ZHALLVOQSA-N	1	0	371.456	1.507	20	30		FDEDRO
C[NH+](C)CCOCCNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000471660317	776908118	/nfs/dbraw/zinc/90/81/18/776908118.db2.gz	WVKXCCLRSHXJSS-UHFFFAOYSA-N	1	0	360.458	1.689	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]3C2)c1	ZINC001022021899	777169911	/nfs/dbraw/zinc/16/99/11/777169911.db2.gz	MMTMETYAICSELG-CGTJXYLNSA-N	1	0	354.454	1.076	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1	ZINC001075422275	777283945	/nfs/dbraw/zinc/28/39/45/777283945.db2.gz	VGWDVGZTKOOAKC-NVXWUHKLSA-N	1	0	370.428	1.931	20	30		FDEDRO
COc1ccc(C#N)cc1CN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000971561560	777629784	/nfs/dbraw/zinc/62/97/84/777629784.db2.gz	XNPGNZOMYHTITF-ATZDWAIDSA-N	1	0	370.497	1.940	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccnc(N3CCCC3)n2)C[C@H]1C	ZINC001104365243	777756625	/nfs/dbraw/zinc/75/66/25/777756625.db2.gz	BBRAJJNWFTWHJW-IAGOWNOFSA-N	1	0	355.486	1.788	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CCC(=O)N1C)C2	ZINC001112506574	777822833	/nfs/dbraw/zinc/82/28/33/777822833.db2.gz	SYTNBKJWGFFVSJ-MPGHIAIKSA-N	1	0	353.894	1.968	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1n[nH]nc1C)C2	ZINC001112506649	777848734	/nfs/dbraw/zinc/84/87/34/777848734.db2.gz	XJSAKYVLWNLYSO-WFASDCNBSA-N	1	0	368.279	1.854	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCC[C@H]2C)C1	ZINC001022098950	777904133	/nfs/dbraw/zinc/90/41/33/777904133.db2.gz	VENUBERHDCUFSB-SFFUCWETSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncnn2CC(F)F)C1	ZINC001022099821	777917637	/nfs/dbraw/zinc/91/76/37/777917637.db2.gz	PLUKMQNCVHKUPS-RQJABVFESA-N	1	0	369.416	1.261	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)NCC[NH+]1CCC(O)CC1	ZINC000891603659	778467475	/nfs/dbraw/zinc/46/74/75/778467475.db2.gz	ZFDNHTHFQPAKFK-UHFFFAOYSA-N	1	0	362.499	1.547	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCc2ccncc2)C[C@H]1C	ZINC001104374304	778559817	/nfs/dbraw/zinc/55/98/17/778559817.db2.gz	QTKXUQUUSRUPQC-ZIFCJYIRSA-N	1	0	370.497	1.226	20	30		FDEDRO
C[C@H](NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1cccc(C#N)c1	ZINC000891621079	778586465	/nfs/dbraw/zinc/58/64/65/778586465.db2.gz	FHCDLYHBMOJNDZ-SJWGOKEGSA-N	1	0	369.425	1.196	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1	ZINC001022223019	778705676	/nfs/dbraw/zinc/70/56/76/778705676.db2.gz	KBLJKADEPXQZME-SLFFLAALSA-N	1	0	367.493	1.610	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1c1ccccc1	ZINC001211520940	778797745	/nfs/dbraw/zinc/79/77/45/778797745.db2.gz	ZCLJBOIBVFJWKN-VQTJNVASSA-N	1	0	367.449	1.720	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2c[nH]nc2C(C)C)C[C@H]1C	ZINC001104378728	779032162	/nfs/dbraw/zinc/03/21/62/779032162.db2.gz	CWFJRFBIMVNSRC-HUUCEWRRSA-N	1	0	361.490	1.523	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)NCC#C[C@H]3CCCCO3)cn2)CC1	ZINC000891715836	779168723	/nfs/dbraw/zinc/16/87/23/779168723.db2.gz	IBQKFHPLIGGQPU-GOSISDBHSA-N	1	0	371.485	1.205	20	30		FDEDRO
C[C@@H]1CCN(C(=O)Cn2nccn2)[C@H](C[NH2+]Cc2ccc(C#N)cc2F)C1	ZINC001087171667	779180734	/nfs/dbraw/zinc/18/07/34/779180734.db2.gz	YCGCFRBCGVLLCC-PBHICJAKSA-N	1	0	370.432	1.706	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)C[N@H+]4CC[C@H](C)C4)C[C@H]32)nc1	ZINC001022294878	779201588	/nfs/dbraw/zinc/20/15/88/779201588.db2.gz	ZRQYPBUADTXNCC-VDZJLULYSA-N	1	0	366.465	1.078	20	30		FDEDRO
C[C@]12C[NH2+]C[C@H]1CN(C(=O)N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2	ZINC000891764421	779303210	/nfs/dbraw/zinc/30/32/10/779303210.db2.gz	IQFHXKDQHHQESD-XAUMDUMWSA-N	1	0	367.453	1.305	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCCO4)[C@@H]3C2)cc1	ZINC001075525808	790696393	/nfs/dbraw/zinc/69/63/93/790696393.db2.gz	SANWOBJQUWJCCT-UHOSZYNNSA-N	1	0	355.438	1.801	20	30		FDEDRO
N#Cc1cc(C(=O)N2C[C@@H]3CCN(C(=O)[C@@]45CC[N@H+](C4)CCC5)[C@@H]3C2)c[nH]1	ZINC001022317539	779319714	/nfs/dbraw/zinc/31/97/14/779319714.db2.gz	AAEDQNSYMOAFJE-NQYLQCIDSA-N	1	0	367.453	1.045	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)Cc2ccc(C#N)cc2)CC1	ZINC000430879078	779490990	/nfs/dbraw/zinc/49/09/90/779490990.db2.gz	MRKPLABKSZNOTQ-UHFFFAOYSA-N	1	0	370.497	1.844	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@](O)(C2(C(=O)OC)CCC2)C1	ZINC000933839869	779852465	/nfs/dbraw/zinc/85/24/65/779852465.db2.gz	DRWPZZYWYCAKET-OXJNMPFZSA-N	1	0	366.502	1.970	20	30		FDEDRO
COC(=O)[C@@H](NCC(=O)NCC[NH+]1CCCCCC1)c1cccc(C#N)c1	ZINC000431106418	779973376	/nfs/dbraw/zinc/97/33/76/779973376.db2.gz	MWPWLYDJFHJODE-IBGZPJMESA-N	1	0	372.469	1.354	20	30		FDEDRO
COC(=O)[C@H](NCC(=O)NCC[NH+]1CCCCCC1)c1cccc(C#N)c1	ZINC000431106419	779973611	/nfs/dbraw/zinc/97/36/11/779973611.db2.gz	MWPWLYDJFHJODE-LJQANCHMSA-N	1	0	372.469	1.354	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(C)no2)C[C@H]1c1ccccc1	ZINC001211526798	780085599	/nfs/dbraw/zinc/08/55/99/780085599.db2.gz	WNBOKBNEZWSPGO-DLBZAZTESA-N	1	0	368.437	1.483	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccoc2)C[C@H]1c1ccccc1	ZINC001211527904	780270489	/nfs/dbraw/zinc/27/04/89/780270489.db2.gz	FNKYQTAUDGGFHX-ZYSHUDEJSA-N	1	0	365.433	1.615	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)COCc2nnc(C)s2)C[C@H]1C	ZINC001104390186	780660513	/nfs/dbraw/zinc/66/05/13/780660513.db2.gz	LSPBRXWZEZHWPK-UKRRQHHQSA-N	1	0	350.488	1.461	20	30		FDEDRO
CCC1([NH+]2CCC2)CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)CC1	ZINC000891967629	780887593	/nfs/dbraw/zinc/88/75/93/780887593.db2.gz	GVQCLJOFPREBFL-UHFFFAOYSA-N	1	0	372.473	1.521	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](Cc1nc(C)no1)c1ccccc1	ZINC000277181149	781004224	/nfs/dbraw/zinc/00/42/24/781004224.db2.gz	COKBAHAWCBSBFI-WFASDCNBSA-N	1	0	357.414	1.652	20	30		FDEDRO
C[C@H](CC(N)=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001112508593	781008311	/nfs/dbraw/zinc/00/83/11/781008311.db2.gz	MRWLVBIESJSCMY-YWMUFLPLSA-N	1	0	368.481	1.788	20	30		FDEDRO
CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@H+](CC(=O)N(CCC#N)CCC#N)[C@H]1C	ZINC000934162633	781352457	/nfs/dbraw/zinc/35/24/57/781352457.db2.gz	NKEPATSQJNVHLB-XLMAVXFVSA-N	1	0	362.474	1.940	20	30		FDEDRO
O=C(NCC#C[C@@H]1CCCCO1)NC1CC[NH+](Cc2ccncc2)CC1	ZINC000892131237	781695538	/nfs/dbraw/zinc/69/55/38/781695538.db2.gz	XRYNSHFOBYEDAO-IBGZPJMESA-N	1	0	356.470	1.918	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(-n4ccnc4)ccn3)[C@H]2C1	ZINC001083239082	781727834	/nfs/dbraw/zinc/72/78/34/781727834.db2.gz	SCBGFXDWMUELBK-RBUKOAKNSA-N	1	0	367.453	1.759	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]21	ZINC000972343088	783360694	/nfs/dbraw/zinc/36/06/94/783360694.db2.gz	XBMTYHZYCRXYDN-RBSFLKMASA-N	1	0	353.894	1.776	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C[C@H]2O)C1	ZINC001025521231	790940730	/nfs/dbraw/zinc/94/07/30/790940730.db2.gz	DTVNBEYVFNZIQZ-IXDOHACOSA-N	1	0	363.502	1.151	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1	ZINC001024136519	783815908	/nfs/dbraw/zinc/81/59/08/783815908.db2.gz	KNDKPLHWFLUTSH-BZUAXINKSA-N	1	0	351.491	1.151	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1Cc3ccccc31)C2	ZINC001112519556	783838020	/nfs/dbraw/zinc/83/80/20/783838020.db2.gz	PIZMXRKQCHKHCX-KPLVRAHFSA-N	1	0	365.477	1.294	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3onc(C)c3C)C[C@H]21	ZINC000972834615	783901256	/nfs/dbraw/zinc/90/12/56/783901256.db2.gz	BVZODQMBDWSSIF-IXDOHACOSA-N	1	0	370.453	1.062	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)/C=C\c3ccco3)C[C@H]21	ZINC000972834899	783902071	/nfs/dbraw/zinc/90/20/71/783902071.db2.gz	IAPNSEGAIZGEQS-DULMJUJWSA-N	1	0	367.449	1.450	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1	ZINC000658433532	784035962	/nfs/dbraw/zinc/03/59/62/784035962.db2.gz	DVBJWTOMTAHFSQ-OAHLLOKOSA-N	1	0	359.474	1.903	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2csnn2)C1	ZINC001024196368	784307556	/nfs/dbraw/zinc/30/75/56/784307556.db2.gz	RXPKIOLRVPKXCC-KBMXLJTQSA-N	1	0	350.488	1.848	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1	ZINC000658613254	784652823	/nfs/dbraw/zinc/65/28/23/784652823.db2.gz	DYLASUQTCVMHFA-UHFFFAOYSA-N	1	0	374.485	1.081	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1	ZINC001024491050	784898703	/nfs/dbraw/zinc/89/87/03/784898703.db2.gz	URLSQLYGNQCZHM-SNRMKQJTSA-N	1	0	357.454	1.833	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COCc2nnc(C)s2)C[C@H]1c1ccccc1	ZINC001211631794	784902437	/nfs/dbraw/zinc/90/24/37/784902437.db2.gz	OYKOSIRFNDVYFL-DLBZAZTESA-N	1	0	370.478	1.581	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@H]1c1ccccc1	ZINC001211631891	784925550	/nfs/dbraw/zinc/92/55/50/784925550.db2.gz	UOHMMRKEFDVBOI-GBESFXJTSA-N	1	0	368.481	1.385	20	30		FDEDRO
CC(C)[NH+]1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1	ZINC000364338710	784960991	/nfs/dbraw/zinc/96/09/91/784960991.db2.gz	MRNHHZZRVACJES-SFHVURJKSA-N	1	0	354.454	1.602	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1	ZINC000364319845	784971347	/nfs/dbraw/zinc/97/13/47/784971347.db2.gz	PILIAGWIHLLITL-SUMWQHHRSA-N	1	0	374.416	1.253	20	30		FDEDRO
Cn1ccc(N2CC[C@H]([NH2+]C3CCN(c4ccc(C#N)cc4)CC3)C2=O)n1	ZINC000375955664	785368582	/nfs/dbraw/zinc/36/85/82/785368582.db2.gz	SMVPKVWONCOKEM-SFHVURJKSA-N	1	0	364.453	1.656	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(F)c[nH]2)C[C@H]1c1ccccc1	ZINC001211635038	785375577	/nfs/dbraw/zinc/37/55/77/785375577.db2.gz	OBAMHHYUXDRVTG-FUHWJXTLSA-N	1	0	370.428	1.654	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)C1	ZINC000658810895	785496101	/nfs/dbraw/zinc/49/61/01/785496101.db2.gz	FJPHXAZTFVXODL-KRWDZBQOSA-N	1	0	352.523	1.143	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1cncc(OC)n1	ZINC001024661603	785651453	/nfs/dbraw/zinc/65/14/53/785651453.db2.gz	JKIYUJCAJYDSDJ-BBWFWOEESA-N	1	0	360.458	1.547	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)CS(C)(=O)=O)C[C@H]1c1ccccc1	ZINC001211734510	785847629	/nfs/dbraw/zinc/84/76/29/785847629.db2.gz	WPVLPMJZKKPXRL-DLBZAZTESA-N	1	0	362.495	1.275	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000376102637	785887784	/nfs/dbraw/zinc/88/77/84/785887784.db2.gz	IZHCFMBQOJAYBF-SJORKVTESA-N	1	0	374.460	1.751	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)C(C)C)C[C@H]1c1ccccc1	ZINC001211682098	805657559	/nfs/dbraw/zinc/65/75/59/805657559.db2.gz	JWXFCWJREOFRPV-NZSAHSFTSA-N	1	0	355.482	1.612	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(OC)nc3)C[C@H]21	ZINC000978719278	805694341	/nfs/dbraw/zinc/69/43/41/805694341.db2.gz	PJJSSNQCGHRRNR-DZVNLGKHSA-N	1	0	357.454	1.475	20	30		FDEDRO
C=CCN(C(=O)NCc1cccc(-n2cc(C[NH3+])nn2)c1)[C@@H](C)COC	ZINC000892517859	786643150	/nfs/dbraw/zinc/64/31/50/786643150.db2.gz	GAXMGSBEVLBHAS-AWEZNQCLSA-N	1	0	358.446	1.459	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001024989757	787074861	/nfs/dbraw/zinc/07/48/61/787074861.db2.gz	ZWKHJIQHJUEVKH-IPELMVKDSA-N	1	0	357.454	1.833	20	30		FDEDRO
C[C@@H](ONC(N)=C1C(=[NH2+])C2(CCCC2)N(C)C1=O)c1cccc([N+](=O)[O-])c1	ZINC000178144373	787182130	/nfs/dbraw/zinc/18/21/30/787182130.db2.gz	OLYPHMZIMGBESJ-LLVKDONJSA-N	1	0	373.413	1.942	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1	ZINC000936113886	787275012	/nfs/dbraw/zinc/27/50/12/787275012.db2.gz	NWJCKKWUTCVTPF-CPUCHLNUSA-N	1	0	358.442	1.069	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1	ZINC000648245412	787351502	/nfs/dbraw/zinc/35/15/02/787351502.db2.gz	ZCZBBEALOJNPGK-LJQANCHMSA-N	1	0	371.481	1.735	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4c(c3)nc[nH]c4=O)[C@H]2C1	ZINC001083276845	787480536	/nfs/dbraw/zinc/48/05/36/787480536.db2.gz	ZMEXSDUJBXKFJQ-ZWKOTPCHSA-N	1	0	368.437	1.827	20	30		FDEDRO
O=C(NCC12CC(C1)C[NH2+]2)C(=O)Nc1ccccc1C#Cc1ccccc1	ZINC000659106325	788047341	/nfs/dbraw/zinc/04/73/41/788047341.db2.gz	NWRKKDJECRHOFD-UHFFFAOYSA-N	1	0	359.429	1.893	20	30		FDEDRO
CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1	ZINC000376493531	788048616	/nfs/dbraw/zinc/04/86/16/788048616.db2.gz	AGJYKSKTMCOMEK-MISYRCLQSA-N	1	0	357.454	1.773	20	30		FDEDRO
C[C@@]1(CNC(=O)NCCn2cnc(C#N)n2)CC[N@H+](Cc2ccccc2)C1	ZINC000376498482	788070730	/nfs/dbraw/zinc/07/07/30/788070730.db2.gz	XNZSJIUSTVAKEV-IBGZPJMESA-N	1	0	367.457	1.361	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)C2)CC1	ZINC000973363984	788766000	/nfs/dbraw/zinc/76/60/00/788766000.db2.gz	LMENVZZXFZEPHK-VYJAJWGXSA-N	1	0	371.525	1.921	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCc3nn[nH]c32)C[C@H]1C	ZINC001104594162	788782670	/nfs/dbraw/zinc/78/26/70/788782670.db2.gz	CCUNGQNEQFQMNG-BZUAXINKSA-N	1	0	361.490	1.501	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@@H](C)C(F)(F)F)C[C@H]1C	ZINC001104620899	788929875	/nfs/dbraw/zinc/92/98/75/788929875.db2.gz	NVDKJDHNDOMMNY-MGPQQGTHSA-N	1	0	361.408	1.399	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1c1ccccc1	ZINC001211688022	805921410	/nfs/dbraw/zinc/92/14/10/805921410.db2.gz	LGBZHPNGFGKVBT-ZWKOTPCHSA-N	1	0	369.465	1.590	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1CC[NH2+]Cc1ccccc1C#N	ZINC001104627104	789021649	/nfs/dbraw/zinc/02/16/49/789021649.db2.gz	CCCNMSARSZTROL-RHSMWYFYSA-N	1	0	367.453	1.885	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC3CC3)C2)c1	ZINC001104659530	789181722	/nfs/dbraw/zinc/18/17/22/789181722.db2.gz	ODFZSUVKOHHXMP-GDBMZVCRSA-N	1	0	354.454	1.029	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCOCC)C2)C1	ZINC001104655432	789186002	/nfs/dbraw/zinc/18/60/02/789186002.db2.gz	YGBDTDCBRGOHSZ-IAGOWNOFSA-N	1	0	365.518	1.570	20	30		FDEDRO
C=CC[C@@H](CO)NC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)c(F)c1	ZINC000659595796	789262057	/nfs/dbraw/zinc/26/20/57/789262057.db2.gz	SKGIGWWTSSJKLN-DZKIICNBSA-N	1	0	351.422	1.516	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)c2cccs2)C[C@H]1C	ZINC001104669509	789277037	/nfs/dbraw/zinc/27/70/37/789277037.db2.gz	HWYDBIWTKBAQFC-BZUAXINKSA-N	1	0	361.511	1.675	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C2CC2)C1	ZINC001104700249	789520925	/nfs/dbraw/zinc/52/09/25/789520925.db2.gz	YSYOFVOEJLSEDP-AHCXZYCDSA-N	1	0	363.502	1.273	20	30		FDEDRO
O=C(NCCOC(F)(F)C(F)(F)F)NC[C@H]1C[NH2+]CCC1(F)F	ZINC000892703378	789525339	/nfs/dbraw/zinc/52/53/39/789525339.db2.gz	JGCFVDKKBGWRJL-SSDOTTSWSA-N	1	0	355.254	1.702	20	30		FDEDRO
COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[N@@H+](C2CCOCC2)C[C@H]1C	ZINC000278808989	789575267	/nfs/dbraw/zinc/57/52/67/789575267.db2.gz	ZWXCDVMYIMNIRQ-DNVCBOLYSA-N	1	0	357.454	1.957	20	30		FDEDRO
C=Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)cc1	ZINC001104713135	789653890	/nfs/dbraw/zinc/65/38/90/789653890.db2.gz	PFGCXSDHLCUVOF-CRAIPNDOSA-N	1	0	354.454	1.657	20	30		FDEDRO
N#Cc1ccc([C@@H]2CN(C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CCO2)cc1	ZINC000892820029	791335652	/nfs/dbraw/zinc/33/56/52/791335652.db2.gz	UREGKXWNZHEIPJ-QYZOEREBSA-N	1	0	370.453	1.504	20	30		FDEDRO
C[C@@]1(C#N)CN(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CCO1	ZINC000892829319	791366939	/nfs/dbraw/zinc/36/69/39/791366939.db2.gz	UVBWSUKAIBYJHL-HXUWFJFHSA-N	1	0	372.469	1.467	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1CCC(N2CCN(C)CC2=O)CC1	ZINC000377263420	791402331	/nfs/dbraw/zinc/40/23/31/791402331.db2.gz	XRSFDUBSNWJFNZ-UHFFFAOYSA-N	1	0	357.454	1.630	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CCN1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO	ZINC000377317971	791530704	/nfs/dbraw/zinc/53/07/04/791530704.db2.gz	SOJZVOHTKBWMDP-ZWKOTPCHSA-N	1	0	356.470	1.808	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2CC23CCN(c2ccncc2C#N)CC3)CC[N@@H+]1C	ZINC001058655495	791688163	/nfs/dbraw/zinc/68/81/63/791688163.db2.gz	AMQXHLWIEMOSRH-QGPMSJSTSA-N	1	0	353.470	1.769	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4c(c3)[nH]c(=O)n4C)[C@H]2C1	ZINC001083285061	791724851	/nfs/dbraw/zinc/72/48/51/791724851.db2.gz	CZNRXPMRHUSJIN-ZWKOTPCHSA-N	1	0	370.453	1.770	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)ccc1OCC(F)(F)F	ZINC000415269610	791792356	/nfs/dbraw/zinc/79/23/56/791792356.db2.gz	PNGAUHZBYDDQGP-LLVKDONJSA-N	1	0	370.331	1.388	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1	ZINC000415319144	791914034	/nfs/dbraw/zinc/91/40/34/791914034.db2.gz	SGGWTEVJTFVXIU-AEFFLSMTSA-N	1	0	355.442	1.635	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2ccncc2)C1=O	ZINC001025793285	792059526	/nfs/dbraw/zinc/05/95/26/792059526.db2.gz	BHUWOCXTHQCNML-UDFCFZJOSA-N	1	0	366.465	1.018	20	30		FDEDRO
COC(=O)c1cc(CN2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cn1C	ZINC000377548595	792177416	/nfs/dbraw/zinc/17/74/16/792177416.db2.gz	HWMMOPVKOIENCK-VBKZILBWSA-N	1	0	364.405	1.657	20	30		FDEDRO
CCCN(C(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C)[C@@H]1CC[NH2+]C1	ZINC000415412946	792218218	/nfs/dbraw/zinc/21/82/18/792218218.db2.gz	YONHQJOPWFTIBP-OAHLLOKOSA-N	1	0	358.442	1.884	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)cc1	ZINC000415416237	792228375	/nfs/dbraw/zinc/22/83/75/792228375.db2.gz	NEKJBEZRWPNWMB-HNNXBMFYSA-N	1	0	370.453	1.260	20	30		FDEDRO
C=CCN(C(=O)C(=O)c1cnn(C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000377573307	792246433	/nfs/dbraw/zinc/24/64/33/792246433.db2.gz	NYSAJOILBBORFY-GOSISDBHSA-N	1	0	352.438	1.892	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CCCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1	ZINC000415432067	792259352	/nfs/dbraw/zinc/25/93/52/792259352.db2.gz	FLNOBPLAQFEDLU-JSGCOSHPSA-N	1	0	356.405	2.474	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1	ZINC000415433359	792260224	/nfs/dbraw/zinc/26/02/24/792260224.db2.gz	HVDLUKOCTNQQBG-JQWIXIFHSA-N	1	0	366.368	1.684	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)NCCC[C@@H]2CCC[NH2+]2)n1	ZINC000415436942	792272225	/nfs/dbraw/zinc/27/22/25/792272225.db2.gz	JZJDNSJEJOICIU-ZDUSSCGKSA-N	1	0	356.405	2.537	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N[C@H]3C[NH2+]CCC3(F)F)n2)c(F)c1	ZINC000415459710	792307282	/nfs/dbraw/zinc/30/72/82/792307282.db2.gz	MPFUIZXNRFCZBA-ZDUSSCGKSA-N	1	0	364.331	2.002	20	30		FDEDRO
CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N	ZINC000415462776	792310029	/nfs/dbraw/zinc/31/00/29/792310029.db2.gz	PXCNHPXESNAQJJ-CQSZACIVSA-N	1	0	367.409	1.784	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4scnc4C)[C@@H]3C2)C1=O	ZINC001075578258	806146106	/nfs/dbraw/zinc/14/61/06/806146106.db2.gz	PTJJVQLKSDXSOR-SOUVJXGZSA-N	1	0	360.483	1.385	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)cc1C#N	ZINC000415554946	792513764	/nfs/dbraw/zinc/51/37/64/792513764.db2.gz	UBWSVJBDKQKERZ-UHFFFAOYSA-N	1	0	370.453	1.886	20	30		FDEDRO
C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000415566849	792540008	/nfs/dbraw/zinc/54/00/08/792540008.db2.gz	NEPPJGFLNBQVEJ-JKSUJKDBSA-N	1	0	362.433	1.629	20	30		FDEDRO
CC(C)(C#N)c1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1	ZINC000377723043	792631103	/nfs/dbraw/zinc/63/11/03/792631103.db2.gz	GQYQZQVFQKLYTP-IAGOWNOFSA-N	1	0	370.453	1.406	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H]3C(=O)NC[C@H]3C2)c(OC)c1	ZINC000377728916	792659696	/nfs/dbraw/zinc/65/96/96/792659696.db2.gz	WLHYOTCZNHLXFS-GVDBMIGSSA-N	1	0	360.454	1.231	20	30		FDEDRO
C#CCNC(=O)c1ccc(N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)nc1	ZINC000377749138	792714838	/nfs/dbraw/zinc/71/48/38/792714838.db2.gz	ZCRVQYCSUJLUHP-RYQLBKOJSA-N	1	0	356.470	1.746	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2	ZINC000415633129	792725578	/nfs/dbraw/zinc/72/55/78/792725578.db2.gz	PUYMHROSBFAALG-GASCZTMLSA-N	1	0	356.426	1.637	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1C#N	ZINC000415734863	792898728	/nfs/dbraw/zinc/89/87/28/792898728.db2.gz	YIFBEQPXUVFVST-FQEVSTJZSA-N	1	0	370.453	1.886	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1	ZINC000415738028	792902691	/nfs/dbraw/zinc/90/26/91/792902691.db2.gz	DFZMOUMPEQQINZ-RBSFLKMASA-N	1	0	372.494	1.945	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1	ZINC000415747052	792919881	/nfs/dbraw/zinc/91/98/81/792919881.db2.gz	OJECQKKFEVLRBL-LSDHHAIUSA-N	1	0	356.426	1.376	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)NCCC[C@H]2CCC[NH2+]2)cc1C#N	ZINC000415804288	793023559	/nfs/dbraw/zinc/02/35/59/793023559.db2.gz	LGTVQNREIGJXCK-OAHLLOKOSA-N	1	0	358.442	1.932	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2	ZINC000415825681	793072578	/nfs/dbraw/zinc/07/25/78/793072578.db2.gz	YSHWHIMQMCPPSW-KRWDZBQOSA-N	1	0	371.481	1.958	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)cc1	ZINC000415830778	793103855	/nfs/dbraw/zinc/10/38/55/793103855.db2.gz	DXZTYEXSKZVBSX-INIZCTEOSA-N	1	0	373.457	1.566	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1OCCO[C@H]1C)C[C@H](C)O2	ZINC001098606014	793133274	/nfs/dbraw/zinc/13/32/74/793133274.db2.gz	NLISXYUAFBFWMM-ULQDDVLXSA-N	1	0	352.475	1.448	20	30		FDEDRO
[NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1	ZINC000415844156	793163317	/nfs/dbraw/zinc/16/33/17/793163317.db2.gz	SWLGKEPFZLCNGF-LPHOPBHVSA-N	1	0	362.433	1.664	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1C#N	ZINC000415890106	793295390	/nfs/dbraw/zinc/29/53/90/793295390.db2.gz	GZZBLZQLBQUIGL-DZGCQCFKSA-N	1	0	356.426	1.352	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1OCCO[C@H]1C)C[C@H](C)O2	ZINC001098606288	793350466	/nfs/dbraw/zinc/35/04/66/793350466.db2.gz	PKWIRPJYIBSXMH-BZSNNMDCSA-N	1	0	366.502	1.838	20	30		FDEDRO
N#CCC1(CNC(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)CC1	ZINC000416005821	793486474	/nfs/dbraw/zinc/48/64/74/793486474.db2.gz	XHJMFQKJSLALCO-UHFFFAOYSA-N	1	0	357.458	1.786	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)c2ccc(C)o2)C[C@H]1C	ZINC001104767763	793550288	/nfs/dbraw/zinc/55/02/88/793550288.db2.gz	CWGUEGGIIIJBGO-DJIMGWMZSA-N	1	0	359.470	1.515	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nonc3C)C2)nn1	ZINC001104769089	793554032	/nfs/dbraw/zinc/55/40/32/793554032.db2.gz	CHQHIBCHYUJOOU-TZMCWYRMSA-N	1	0	359.434	1.044	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cc(C)n(C)n3)C2)nn1	ZINC001104769576	793557065	/nfs/dbraw/zinc/55/70/65/793557065.db2.gz	ZYYCQDKFIUHYRU-GDBMZVCRSA-N	1	0	371.489	1.394	20	30		FDEDRO
C[C@H](NC(=O)NCC(=O)NCC[NH+]1CCCCCC1)c1ccc(C#N)cc1	ZINC000431859136	793681881	/nfs/dbraw/zinc/68/18/81/793681881.db2.gz	FGVHMFMWWZQEEI-INIZCTEOSA-N	1	0	371.485	1.911	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1CC[NH2+]Cc1ccccc1C#N	ZINC001104791137	793688559	/nfs/dbraw/zinc/68/85/59/793688559.db2.gz	OXWZLAVLXVMJMK-RHSMWYFYSA-N	1	0	352.442	1.575	20	30		FDEDRO
C=C(Br)C[NH2+]CC[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C	ZINC001104791328	793689584	/nfs/dbraw/zinc/68/95/84/793689584.db2.gz	VLEQNRFYFWESBG-ZYHUDNBSSA-N	1	0	356.268	1.412	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1CC[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001104790733	793703711	/nfs/dbraw/zinc/70/37/11/793703711.db2.gz	FCMKCBZRSYVZQJ-UKRRQHHQSA-N	1	0	370.432	1.714	20	30		FDEDRO
CC1(C[NH+]2CCOCC2)CCN(CC(=O)Nc2cccc(C#N)c2)CC1	ZINC000378273244	793844798	/nfs/dbraw/zinc/84/47/98/793844798.db2.gz	ANPUCVWBMPAPFJ-UHFFFAOYSA-N	1	0	356.470	1.931	20	30		FDEDRO
C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@H]1C(F)(F)F	ZINC001112052883	793865634	/nfs/dbraw/zinc/86/56/34/793865634.db2.gz	HHRXPCDCWFHKQW-QJPTWQEYSA-N	1	0	353.410	1.383	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnon2)C[C@H]1CC[NH2+]Cc1cc(F)ccc1C#N	ZINC001104817120	793874050	/nfs/dbraw/zinc/87/40/50/793874050.db2.gz	YPWFHKJJGALKNU-TZMCWYRMSA-N	1	0	357.389	1.968	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2(CC)CCOCC2)C[C@H]1C	ZINC001104848733	794054128	/nfs/dbraw/zinc/05/41/28/794054128.db2.gz	VJJIIIJNARQSBE-IAGOWNOFSA-N	1	0	365.518	1.570	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1	ZINC000378412866	794104029	/nfs/dbraw/zinc/10/40/29/794104029.db2.gz	SDBQXMFUKXMNTJ-SJORKVTESA-N	1	0	360.502	1.862	20	30		FDEDRO
N#CC1(c2ccc(C(=O)N3CCC([N@H+]4CCC[C@H]4C(N)=O)CC3)cc2)CC1	ZINC000378471672	794194421	/nfs/dbraw/zinc/19/44/21/794194421.db2.gz	FNBJVTZYPHSMNN-SFHVURJKSA-N	1	0	366.465	1.796	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3nc[nH]c3C2)C[C@H]1C	ZINC001104881569	794202337	/nfs/dbraw/zinc/20/23/37/794202337.db2.gz	GZGMICGYKSOGJX-IXDOHACOSA-N	1	0	358.486	1.239	20	30		FDEDRO
Cc1cc(NC(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)nn1CCC#N	ZINC000378525339	794270754	/nfs/dbraw/zinc/27/07/54/794270754.db2.gz	XPXZEADBBYFLSS-MRXNPFEDSA-N	1	0	373.505	1.737	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3nccn3c2)C[C@H]1C	ZINC001104895046	794271582	/nfs/dbraw/zinc/27/15/82/794271582.db2.gz	RLTOKSWMDHBILY-IAGOWNOFSA-N	1	0	354.454	1.672	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2c[nH]nc2-c2cnn(C)c2)C[C@H]1C	ZINC001104895566	794277671	/nfs/dbraw/zinc/27/76/71/794277671.db2.gz	AAHMQLHKNNZYSK-HUUCEWRRSA-N	1	0	354.458	1.521	20	30		FDEDRO
CCCNC(=O)CCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C1	ZINC001104920057	794384588	/nfs/dbraw/zinc/38/45/88/794384588.db2.gz	IMISKYOVQDZVBK-QZTJIDSGSA-N	1	0	365.518	1.407	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C2CN(C(C)=O)C2)C1	ZINC001087425921	806328358	/nfs/dbraw/zinc/32/83/58/806328358.db2.gz	BEORHGATTNMRNP-WOJBJXKFSA-N	1	0	353.466	1.462	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](C)c3nnnn3C)C2)nc1	ZINC001104924463	794422187	/nfs/dbraw/zinc/42/21/87/794422187.db2.gz	NSWCJEYJOVIQIT-IIAWOOMASA-N	1	0	367.457	1.035	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1	ZINC000974124371	794471792	/nfs/dbraw/zinc/47/17/92/794471792.db2.gz	PAHQVNYXZOIIAN-XDNAFOTISA-N	1	0	363.502	1.463	20	30		FDEDRO
COC(=O)[C@H]1CN(C(=O)Nc2cc(C#N)ccc2OC(C)C)CC[N@H+](C)C1	ZINC000416760106	794603641	/nfs/dbraw/zinc/60/36/41/794603641.db2.gz	GRCNOEKIRWWXES-OAHLLOKOSA-N	1	0	374.441	1.914	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(CC)cc2)C[C@H]1C	ZINC001104969289	794637614	/nfs/dbraw/zinc/63/76/14/794637614.db2.gz	LRCJNCRAGKFBBE-VQIMIIECSA-N	1	0	355.482	1.686	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)C2CCN(C(N)=O)CC2)C[C@H]1C	ZINC001104993155	794751845	/nfs/dbraw/zinc/75/18/45/794751845.db2.gz	KPIGAKZKHPQAJB-NVXWUHKLSA-N	1	0	350.507	1.818	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1	ZINC000974222948	794806681	/nfs/dbraw/zinc/80/66/81/794806681.db2.gz	GLPMRZODSAYFSY-HCXYKTFWSA-N	1	0	371.481	1.716	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)C2)CC1	ZINC000974224197	794811201	/nfs/dbraw/zinc/81/12/01/794811201.db2.gz	LMENVZZXFZEPHK-UHZRXMQZSA-N	1	0	371.525	1.921	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2nc(C)c(C)s2)C[C@H]1C	ZINC001105031821	794988955	/nfs/dbraw/zinc/98/89/55/794988955.db2.gz	IOALGZJAZJJIIB-IUODEOHRSA-N	1	0	362.499	1.197	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(C)C)C1	ZINC001105064274	795109816	/nfs/dbraw/zinc/10/98/16/795109816.db2.gz	GTETVUBGSLHLFF-HZPDHXFCSA-N	1	0	352.523	1.980	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)COC)C1	ZINC001105064489	795111100	/nfs/dbraw/zinc/11/11/00/795111100.db2.gz	RBSATRPCJXIUKC-BZUAXINKSA-N	1	0	368.522	1.359	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1	ZINC000974310937	795155793	/nfs/dbraw/zinc/15/57/93/795155793.db2.gz	HGQXGDNSBTYOFD-HCXYKTFWSA-N	1	0	371.481	1.716	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(CC)CC)C1	ZINC001105085618	795207047	/nfs/dbraw/zinc/20/70/47/795207047.db2.gz	ZLTUHIFNEDCDEL-IAGOWNOFSA-N	1	0	353.507	1.522	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(Cl)o4)[C@@H]3C2)C1=O	ZINC001075548499	795227967	/nfs/dbraw/zinc/22/79/67/795227967.db2.gz	FZYJKCMXKUVOII-MELADBBJSA-N	1	0	363.845	1.866	20	30		FDEDRO
CCC[C@H]1C[NH2+]CCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000417991300	795446714	/nfs/dbraw/zinc/44/67/14/795446714.db2.gz	KIHIEXYTMBGEEW-ROUUACIJSA-N	1	0	369.469	1.837	20	30		FDEDRO
C#CCNC(=O)CN[C@@H]1CN(C(=O)C2=CCCCCC2)C[C@H]1C(F)(F)F	ZINC001112087382	795475851	/nfs/dbraw/zinc/47/58/51/795475851.db2.gz	BGKUYKFILKJNEZ-HUUCEWRRSA-N	1	0	371.403	1.605	20	30		FDEDRO
CC(C)C[C@H](C[NH3+])NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000418077021	795512905	/nfs/dbraw/zinc/51/29/05/795512905.db2.gz	KVCBOASEZYWVJE-SJORKVTESA-N	1	0	357.458	1.332	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C2CCC(NC(=O)[C@H]3C[C@H]3C(N)=O)CC2)cc1F	ZINC001026561787	795548371	/nfs/dbraw/zinc/54/83/71/795548371.db2.gz	XIKYJOOZQPRHRK-FJBKBRRZSA-N	1	0	358.417	1.336	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H](C)C(=O)NC)C1	ZINC001211655310	795569185	/nfs/dbraw/zinc/56/91/85/795569185.db2.gz	HAGMTXFOLVILQL-NZSAHSFTSA-N	1	0	355.482	1.899	20	30		FDEDRO
C=CCN(C(=O)NCCNC(=O)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000364281555	795590284	/nfs/dbraw/zinc/59/02/84/795590284.db2.gz	MNPNUYYEODAUIU-IBGZPJMESA-N	1	0	370.497	1.985	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1	ZINC000162604368	795648956	/nfs/dbraw/zinc/64/89/56/795648956.db2.gz	LVVAVWAZSMEUKO-ZDUSSCGKSA-N	1	0	362.405	1.515	20	30		FDEDRO
C[NH2+]CCNC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N	ZINC000418333655	795789613	/nfs/dbraw/zinc/78/96/13/795789613.db2.gz	SDKWORJECIXHFR-UHFFFAOYSA-N	1	0	355.446	1.086	20	30		FDEDRO
N#CCC1(CNC(=O)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)CC1	ZINC000429799798	795854597	/nfs/dbraw/zinc/85/45/97/795854597.db2.gz	GPQJVJGTPUKBAI-MRXNPFEDSA-N	1	0	355.442	1.952	20	30		FDEDRO
CC(C)[C@H]([NH3+])CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000418401034	795870021	/nfs/dbraw/zinc/87/00/21/795870021.db2.gz	HTUVNCWOEAEDHZ-QGZVFWFLSA-N	1	0	357.458	1.902	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C[C@@]12c1ccccc1NC2=O	ZINC000418423774	795901209	/nfs/dbraw/zinc/90/12/09/795901209.db2.gz	JUKAVNXNIHWAHP-HCKSERAJSA-N	1	0	367.453	1.559	20	30		FDEDRO
N#Cc1ccc(SCC(=O)NCC(=O)NCC[NH+]2CCCCC2)cc1	ZINC000909326209	795943263	/nfs/dbraw/zinc/94/32/63/795943263.db2.gz	SLRRYWYATLNIAO-UHFFFAOYSA-N	1	0	360.483	1.369	20	30		FDEDRO
Cc1ccc(-n2nc(CCCNC(=O)NC[C@@H](C)C[NH3+])c(C#N)c2N)cc1	ZINC000418471425	795964596	/nfs/dbraw/zinc/96/45/96/795964596.db2.gz	MEANBZNQMBTCDC-AWEZNQCLSA-N	1	0	369.473	1.461	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC#N)C1	ZINC001211657998	795967209	/nfs/dbraw/zinc/96/72/09/795967209.db2.gz	XLRQYBGZKSSRSO-YTQUADARSA-N	1	0	368.481	1.813	20	30		FDEDRO
C[C@H](ONC(N)=C1C(=[NH2+])C2(CCCC2)N(C)C1=O)c1ccc(C#N)cc1	ZINC000194627509	796000213	/nfs/dbraw/zinc/00/02/13/796000213.db2.gz	SJBWVWMJCSAPMI-LBPRGKRZSA-N	1	0	353.426	1.906	20	30		FDEDRO
C[C@@H](CC[NH3+])NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000418534922	796111757	/nfs/dbraw/zinc/11/17/57/796111757.db2.gz	YHGJJVWDOPQKAN-LBPRGKRZSA-N	1	0	358.402	1.375	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1	ZINC000980015088	806678385	/nfs/dbraw/zinc/67/83/85/806678385.db2.gz	HIAKBLMLOYGDNS-ATIWLJMLSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnc(C3CC3)[nH]2)C1	ZINC001026849646	800015151	/nfs/dbraw/zinc/01/51/51/800015151.db2.gz	AYQLQPJCWBBZDF-IMJJTQAJSA-N	1	0	359.474	1.601	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1	ZINC001026854804	800032988	/nfs/dbraw/zinc/03/29/88/800032988.db2.gz	OOWUOHDOHDNLEK-SYNHAJSKSA-N	1	0	355.438	1.541	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)cc1	ZINC000974703602	800125360	/nfs/dbraw/zinc/12/53/60/800125360.db2.gz	YPLWBNBFJRKAAW-RTBURBONSA-N	1	0	363.461	1.437	20	30		FDEDRO
C=C(C)Cn1c(-c2ccc(=O)n(C)c2)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1	ZINC000909343204	800401906	/nfs/dbraw/zinc/40/19/06/800401906.db2.gz	HPEVGOZOKBUCLS-QGZVFWFLSA-N	1	0	370.501	1.996	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)Cc4ccco4)[C@@H]3C2)CC1	ZINC000974890100	800506408	/nfs/dbraw/zinc/50/64/08/800506408.db2.gz	MXAMGRGPZUKUOY-IEBWSBKVSA-N	1	0	369.465	1.227	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)CCC[NH2+]1	ZINC000662567878	806847072	/nfs/dbraw/zinc/84/70/72/806847072.db2.gz	ZUOGIXWYGKKOAU-IBGZPJMESA-N	1	0	363.408	1.948	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnc(CC)s2)C1	ZINC001027074669	800886334	/nfs/dbraw/zinc/88/63/34/800886334.db2.gz	DPXYPAQZKONCSU-MJBXVCDLSA-N	1	0	350.488	1.630	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)C[N@H+]4CCC[C@H]4C)[C@@H]3C2)nc1	ZINC000975209785	801002649	/nfs/dbraw/zinc/00/26/49/801002649.db2.gz	FZCMJVXWNPUMGZ-SZVBFZGTSA-N	1	0	366.465	1.220	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)C[N@H+]4CC[C@@H](C)C4)[C@@H]3C2)cn1	ZINC000975214508	801010504	/nfs/dbraw/zinc/01/05/04/801010504.db2.gz	BWAIUGFXAAVKSN-SZVBFZGTSA-N	1	0	366.465	1.078	20	30		FDEDRO
C#CCOc1ccc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1	ZINC000124952717	801151910	/nfs/dbraw/zinc/15/19/10/801151910.db2.gz	GKUBLZUBBQZCBY-SFHVURJKSA-N	1	0	370.453	1.469	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000975313025	801162033	/nfs/dbraw/zinc/16/20/33/801162033.db2.gz	XMZVBHIGXUXWKF-CKEIUWERSA-N	1	0	357.458	1.195	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1occc1Cl)C2	ZINC001112524647	801520698	/nfs/dbraw/zinc/52/06/98/801520698.db2.gz	ZSIILNQUKTWUHZ-SJCJKPOMSA-N	1	0	364.833	1.405	20	30		FDEDRO
C=CC[C@@]1(C(=O)N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CCC[NH2+]1	ZINC000662646855	806923034	/nfs/dbraw/zinc/92/30/34/806923034.db2.gz	PCQJSSPTVJAOIP-PXNSSMCTSA-N	1	0	373.453	1.624	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CCC(=O)NC2)C1	ZINC001087429402	806933409	/nfs/dbraw/zinc/93/34/09/806933409.db2.gz	HXAUGTHKTFSKCG-MISYRCLQSA-N	1	0	367.493	1.900	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)C1	ZINC000975650658	801836825	/nfs/dbraw/zinc/83/68/25/801836825.db2.gz	ODFZAUHIEPXFFN-ZVZYQTTQSA-N	1	0	369.469	1.291	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N2CC[C@H]3CCN(C(=O)C#CC4CC4)[C@H]3C2)CC1	ZINC000975704748	802021492	/nfs/dbraw/zinc/02/14/92/802021492.db2.gz	RXADYTOETMKMFD-OALUTQOASA-N	1	0	357.498	1.581	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)C1	ZINC000975699454	802054338	/nfs/dbraw/zinc/05/43/38/802054338.db2.gz	CZHZUOXUDGPKDO-UFYCRDLUSA-N	1	0	371.525	1.827	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21	ZINC000975805409	802471864	/nfs/dbraw/zinc/47/18/64/802471864.db2.gz	UVRGELLMCFWNCS-ZQIUZPCESA-N	1	0	351.410	1.557	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1	ZINC000661116264	802754306	/nfs/dbraw/zinc/75/43/06/802754306.db2.gz	IARQYAVHDFURQS-IXDOHACOSA-N	1	0	372.531	1.373	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3CCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]3C2)c1	ZINC000975995917	802822106	/nfs/dbraw/zinc/82/21/06/802822106.db2.gz	MSHKBCSXRMGIKG-WDSOQIARSA-N	1	0	368.481	1.466	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@H]3C2)C1	ZINC000976022350	802839571	/nfs/dbraw/zinc/83/95/71/802839571.db2.gz	ABURTSFNSUFFGO-MPGHIAIKSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=CC[C@]1(C(=O)N[C@@H](C)CN2CCN(c3ccccn3)CC2)CCC[NH2+]1	ZINC000662734664	802968466	/nfs/dbraw/zinc/96/84/66/802968466.db2.gz	RZWCXAWOLXNTRN-FXAWDEMLSA-N	1	0	357.502	1.407	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2cccnc2)CC1	ZINC000976170717	803006584	/nfs/dbraw/zinc/00/65/84/803006584.db2.gz	MEMHAHFTDHKWAB-RTBURBONSA-N	1	0	368.481	1.584	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccn2)CC1	ZINC000976159157	803014189	/nfs/dbraw/zinc/01/41/89/803014189.db2.gz	VHYCJKBFPCXEBS-QZTJIDSGSA-N	1	0	368.481	1.584	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccccc4O)[C@@H]3C2)C1=O	ZINC001075564255	803061460	/nfs/dbraw/zinc/06/14/60/803061460.db2.gz	KIPVEJCNWUTHBL-USXIJHARSA-N	1	0	355.438	1.325	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCC(C(=O)NCc3cccnc3)CC2)CCC[NH2+]1	ZINC000662788875	803247596	/nfs/dbraw/zinc/24/75/96/803247596.db2.gz	VQRDUHQDKFPENV-FQEVSTJZSA-N	1	0	356.470	1.635	20	30		FDEDRO
C=CC[C@]1(C(=O)N[C@@H](C)CS(=O)(=O)c2ccc(C)cc2)CCC[NH2+]1	ZINC000662794495	803292265	/nfs/dbraw/zinc/29/22/65/803292265.db2.gz	QTHXCSHDTGCTAP-MAUKXSAKSA-N	1	0	350.484	1.972	20	30		FDEDRO
C=CCCS(=O)(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21	ZINC000651841725	803462096	/nfs/dbraw/zinc/46/20/96/803462096.db2.gz	YUJYAYMGLGTBCU-MSOLQXFVSA-N	1	0	350.484	1.868	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC000976540071	803492611	/nfs/dbraw/zinc/49/26/11/803492611.db2.gz	XPSMLWRIJPZNGF-NUJGCVRESA-N	1	0	371.485	1.918	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CN(C(=O)C[C@@H]4C[C@H]4C4CC4)C[C@H]32)CC1	ZINC000976658414	803679708	/nfs/dbraw/zinc/67/97/08/803679708.db2.gz	ZTRJUOVXTSWGGP-VDRZXAFZSA-N	1	0	369.509	1.341	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2n[nH]cc2C)CC1	ZINC000976648734	803689179	/nfs/dbraw/zinc/68/91/79/803689179.db2.gz	SYMMZLRUSUWNFG-IAGOWNOFSA-N	1	0	371.485	1.221	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1	ZINC000423129282	814968535	/nfs/dbraw/zinc/96/85/35/814968535.db2.gz	QYSBGAZCPGGUMW-ROUUACIJSA-N	1	0	354.454	1.507	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1	ZINC000423173609	814987649	/nfs/dbraw/zinc/98/76/49/814987649.db2.gz	ZJNGCFXUVHQDFC-FOIQADDNSA-N	1	0	359.470	1.653	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1	ZINC000423206130	814991344	/nfs/dbraw/zinc/99/13/44/814991344.db2.gz	CGNPPCZKFLYSRY-ZBFHGGJFSA-N	1	0	374.441	1.695	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@@H]([N@H+](C)Cc3cccc(C#N)c3)C2)O1	ZINC001027465973	804353654	/nfs/dbraw/zinc/35/36/54/804353654.db2.gz	YYDGMEYVIOAVDM-NSISKUIASA-N	1	0	370.497	1.700	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@H]21	ZINC000977227777	804612223	/nfs/dbraw/zinc/61/22/23/804612223.db2.gz	SCQREWGTMAOTCN-OUWVOHMFSA-N	1	0	361.486	1.025	20	30		FDEDRO
CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1	ZINC000504029687	815026139	/nfs/dbraw/zinc/02/61/39/815026139.db2.gz	DJEXHUHSXZBFNI-MRXNPFEDSA-N	1	0	374.489	1.815	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCN3CCNC3=O)C2)C1	ZINC001112526739	804814149	/nfs/dbraw/zinc/81/41/49/804814149.db2.gz	VMFCGXOYVPMJMR-JXFKEZNVSA-N	1	0	360.502	1.586	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC000977797371	804953758	/nfs/dbraw/zinc/95/37/58/804953758.db2.gz	GBYPNQBPDBEUKY-IXDOHACOSA-N	1	0	358.486	1.687	20	30		FDEDRO
COC(=O)[C@](C)(C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1	ZINC000469213787	815049723	/nfs/dbraw/zinc/04/97/23/815049723.db2.gz	NJEPRSMNTWBKOB-YLJYHZDGSA-N	1	0	351.406	1.805	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(C#N)cc2)C1	ZINC001027576959	805076347	/nfs/dbraw/zinc/07/63/47/805076347.db2.gz	AVHRUGMRPCMJPC-OTWHNJEPSA-N	1	0	368.481	1.705	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)NCC1CC[NH+](CCO)CC1	ZINC000504072170	815052161	/nfs/dbraw/zinc/05/21/61/815052161.db2.gz	WTOUFZCZAJPHRU-UHFFFAOYSA-N	1	0	359.470	1.564	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C)CC(=C)C1)C2	ZINC001112527250	805155008	/nfs/dbraw/zinc/15/50/08/805155008.db2.gz	VRYLPBTZVBEDPR-WWMYMODYSA-N	1	0	357.498	1.699	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](N(C)CC(=O)N2CCCCC2)C1	ZINC001027584476	805155076	/nfs/dbraw/zinc/15/50/76/805155076.db2.gz	MYCDAUAZAWOXBB-KURKYZTESA-N	1	0	363.502	1.513	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1c1ccccc1	ZINC001211674743	805174874	/nfs/dbraw/zinc/17/48/74/805174874.db2.gz	ICYXUSLDYPABDL-MAUKXSAKSA-N	1	0	350.422	1.335	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC23CC3)C[C@H]1c1ccccc1	ZINC001211680165	805501414	/nfs/dbraw/zinc/50/14/14/805501414.db2.gz	JVEXWPITWUXRAA-OKZBNKHCSA-N	1	0	351.450	1.120	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)C(C)(F)F)C2	ZINC001112531197	806999962	/nfs/dbraw/zinc/99/99/62/806999962.db2.gz	KPWAASKLUYNBDD-DEYYWGMASA-N	1	0	355.429	1.245	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2nccs2)C[C@H]1c1ccccc1	ZINC001211695217	807001438	/nfs/dbraw/zinc/00/14/38/807001438.db2.gz	RBYKQVQNDZPQFD-DLBZAZTESA-N	1	0	355.463	1.991	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cccnn2)C[C@H]1c1ccccc1	ZINC001211695391	807047220	/nfs/dbraw/zinc/04/72/20/807047220.db2.gz	ZOPZMHUHRPDYLM-PKOBYXMFSA-N	1	0	352.438	1.877	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1	ZINC000980581700	807084265	/nfs/dbraw/zinc/08/42/65/807084265.db2.gz	XJHZMPKYYMGLIY-FRMKIJSPSA-N	1	0	363.502	1.319	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2COCCN2CC)C1	ZINC001087431288	807189354	/nfs/dbraw/zinc/18/93/54/807189354.db2.gz	ILLVGXFCCIBBMC-VAMGGRTRSA-N	1	0	357.498	1.867	20	30		FDEDRO
CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	ZINC000423523809	815112939	/nfs/dbraw/zinc/11/29/39/815112939.db2.gz	ISMLLXMJZBYUGU-DLBZAZTESA-N	1	0	356.470	1.728	20	30		FDEDRO
C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1	ZINC000423527461	815114464	/nfs/dbraw/zinc/11/44/64/815114464.db2.gz	MNDBHNLNSTVEOR-QXAKKESOSA-N	1	0	368.481	1.743	20	30		FDEDRO
C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)CC1	ZINC000423558051	815115772	/nfs/dbraw/zinc/11/57/72/815115772.db2.gz	MINPIXWMRXAJHJ-KBXCAEBGSA-N	1	0	370.453	1.044	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000981111113	807567970	/nfs/dbraw/zinc/56/79/70/807567970.db2.gz	CUSNSDKLNVVSJT-OCVGTWLNSA-N	1	0	357.458	1.241	20	30		FDEDRO
CC[NH2+]CC1CCN(C(=O)C(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1	ZINC000423554838	815131587	/nfs/dbraw/zinc/13/15/87/815131587.db2.gz	ALBIOBAXQXXTIO-UHFFFAOYSA-N	1	0	368.481	1.897	20	30		FDEDRO
COC(=O)Cc1cc(Cl)nc(NCCN2CCSCC2)c1C#N	ZINC001167832545	807606307	/nfs/dbraw/zinc/60/63/07/807606307.db2.gz	JMGCYKUYUSNBQG-UHFFFAOYSA-N	1	0	354.863	1.783	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3ccn(C)c3)C2)CC1	ZINC000981162280	807623254	/nfs/dbraw/zinc/62/32/54/807623254.db2.gz	APKMOARVEOBTII-QFBILLFUSA-N	1	0	370.497	1.385	20	30		FDEDRO
CC1CC[NH+](CC(=O)N[C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)CC1	ZINC000981189430	807686209	/nfs/dbraw/zinc/68/62/09/807686209.db2.gz	MRDRKXNSYYWGLP-DOTOQJQBSA-N	1	0	371.485	1.633	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C2CC2)cc1	ZINC000423569643	815139525	/nfs/dbraw/zinc/13/95/25/815139525.db2.gz	NARMTRHGVRHXLU-HXUWFJFHSA-N	1	0	352.438	1.261	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@@]34CC[N@H+](C3)CCC4)C2)c[nH]1	ZINC000981189926	807687749	/nfs/dbraw/zinc/68/77/49/807687749.db2.gz	ZXGZBWNHNXCSFZ-NBQZKYEYSA-N	1	0	369.469	1.387	20	30		FDEDRO
C=CCN1CC[C@H](N2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1=O	ZINC000981199769	807705662	/nfs/dbraw/zinc/70/56/62/807705662.db2.gz	BNBNGCMYDKITNT-KSZLIROESA-N	1	0	362.518	1.038	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C2CC2)cc1	ZINC000423574039	815143191	/nfs/dbraw/zinc/14/31/91/815143191.db2.gz	SCNWTMXNPORLHS-QXAKKESOSA-N	1	0	366.465	1.635	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)c1cn(Cc2noc(C)n2)nn1)C(C)C	ZINC000278979463	807979278	/nfs/dbraw/zinc/97/92/78/807979278.db2.gz	IFQOSJJTZURFIN-MRXNPFEDSA-N	1	0	373.461	1.446	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1	ZINC000981685402	808341440	/nfs/dbraw/zinc/34/14/40/808341440.db2.gz	XUYUEXJMWKFXON-LXZKKBNFSA-N	1	0	357.458	1.385	20	30		FDEDRO
CCCN(C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1)C1CC[NH2+]CC1	ZINC000423705321	815208754	/nfs/dbraw/zinc/20/87/54/815208754.db2.gz	OMSQMZVSBHWYOH-MJGOQNOKSA-N	1	0	368.481	1.743	20	30		FDEDRO
COC[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)OC	ZINC000512137323	808425047	/nfs/dbraw/zinc/42/50/47/808425047.db2.gz	HZPQKPBDYCXLGL-GOSISDBHSA-N	1	0	360.458	1.437	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCOC4)[C@@H]3C2)cc1C#N	ZINC001075600617	808511946	/nfs/dbraw/zinc/51/19/46/808511946.db2.gz	ZWOXZJZQFGDZMV-LZLYRXPVSA-N	1	0	355.438	1.636	20	30		FDEDRO
CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1	ZINC000423726670	815216654	/nfs/dbraw/zinc/21/66/54/815216654.db2.gz	UGVZGVGVFURSOE-QZTJIDSGSA-N	1	0	370.453	1.059	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)cn1	ZINC000981843946	808608748	/nfs/dbraw/zinc/60/87/48/808608748.db2.gz	AWIIQCZHBFIOQB-JTDSTZFVSA-N	1	0	368.481	1.419	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CCCC3(CN(C(=O)[C@]45C[C@H]4CCC5)C3)C2)C1=O	ZINC000981904385	808736036	/nfs/dbraw/zinc/73/60/36/808736036.db2.gz	GHRNMTDCQCYEMS-CBGDNZLLSA-N	1	0	357.498	1.888	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1C	ZINC000504403041	815235664	/nfs/dbraw/zinc/23/56/64/815235664.db2.gz	HFYYULHPOWZBNI-HFTRVMKXSA-N	1	0	369.469	1.836	20	30		FDEDRO
C#C[C@H]([NH2+]C1CCN(CCNC(=O)OC(C)(C)C)CC1)[C@H]1CCCO1	ZINC000893676861	808838909	/nfs/dbraw/zinc/83/89/09/808838909.db2.gz	PCNOSBBQSZJHGQ-DLBZAZTESA-N	1	0	351.491	1.746	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CCCC3(CN(C(=O)[C@H]4C[C@H]4C(N)=O)C3)C2)c1	ZINC000982015435	809029764	/nfs/dbraw/zinc/02/97/64/809029764.db2.gz	HAIZHKJXQYMORW-SJORKVTESA-N	1	0	352.438	1.104	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1	ZINC000418939608	809330384	/nfs/dbraw/zinc/33/03/84/809330384.db2.gz	RQAWUJFSOKXWTA-DJIMGWMZSA-N	1	0	357.454	1.372	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CNC(=O)c2ccccn2)C[C@H]1c1ccccc1	ZINC001211726119	809396278	/nfs/dbraw/zinc/39/62/78/809396278.db2.gz	KUTWRWMAKANFQX-PKOBYXMFSA-N	1	0	362.433	1.029	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000419105690	809563819	/nfs/dbraw/zinc/56/38/19/809563819.db2.gz	BZVLUXBKQSULGQ-IUODEOHRSA-N	1	0	367.371	1.287	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)N2CCCCC2=O)C[C@H]1c1ccccc1	ZINC001211729628	809674160	/nfs/dbraw/zinc/67/41/60/809674160.db2.gz	FPHKCPDBCPNGKO-YSIASYRMSA-N	1	0	367.493	1.995	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cccn(C)c2=O)C1	ZINC001087442137	809684127	/nfs/dbraw/zinc/68/41/27/809684127.db2.gz	UQMDFZNPTOAOAJ-UYAOXDASSA-N	1	0	363.461	1.997	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](C(=O)NCc3ccccc3)C2)CC1	ZINC000843698973	809703465	/nfs/dbraw/zinc/70/34/65/809703465.db2.gz	AFLDLJGTXVNPSK-IBGZPJMESA-N	1	0	353.466	1.497	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O	ZINC000424168584	815322421	/nfs/dbraw/zinc/32/24/21/815322421.db2.gz	IONFJBCWVKGWEE-HZPDHXFCSA-N	1	0	364.396	1.593	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1	ZINC000473397007	809842897	/nfs/dbraw/zinc/84/28/97/809842897.db2.gz	ZJBIKWALVKUZPP-GOSISDBHSA-N	1	0	354.454	1.650	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC#CCOC)C1	ZINC001211736275	809926343	/nfs/dbraw/zinc/92/63/43/809926343.db2.gz	PBGQGICEDZDHOZ-YZGWKJHDSA-N	1	0	356.466	1.812	20	30		FDEDRO
CC#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1	ZINC001087454120	810042497	/nfs/dbraw/zinc/04/24/97/810042497.db2.gz	CNVYBMJGTKLZAR-QXAKKESOSA-N	1	0	371.456	1.649	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnc3n[nH]cc3c2)C[C@H]1C(F)(F)F	ZINC001112120506	810044118	/nfs/dbraw/zinc/04/41/18/810044118.db2.gz	XVVUJOCKYZTRCK-CHWSQXEVSA-N	1	0	351.332	1.574	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1	ZINC000512725826	810111829	/nfs/dbraw/zinc/11/18/29/810111829.db2.gz	QBRLBNPAUKKSQB-AWEZNQCLSA-N	1	0	373.501	1.208	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2c(C)onc2CC)C[C@H]1OC	ZINC001212178325	810276902	/nfs/dbraw/zinc/27/69/02/810276902.db2.gz	RNPGVBPFBQOHKS-NUJGCVRESA-N	1	0	351.447	1.188	20	30		FDEDRO
C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1=O	ZINC000433339512	810445492	/nfs/dbraw/zinc/44/54/92/810445492.db2.gz	AHIAGUFDYPZWPY-FHLIZLRMSA-N	1	0	364.453	1.958	20	30		FDEDRO
C[C@@H]1C[N@H+](CCO)[C@H](C)CN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000419345275	810572401	/nfs/dbraw/zinc/57/24/01/810572401.db2.gz	SYPIFFPCLGVJEG-MDZRGWNJSA-N	1	0	356.470	1.441	20	30		FDEDRO
CC[NH+]=C(NCCN1C(=O)CNC1=O)N1CC[C@](C)(c2ccccc2)C1	ZINC000261764539	810762918	/nfs/dbraw/zinc/76/29/18/810762918.db2.gz	NIUCERZINBKSRZ-IBGZPJMESA-N	1	0	357.458	1.167	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N	ZINC000894186025	810852693	/nfs/dbraw/zinc/85/26/93/810852693.db2.gz	SRTFQODNLFPACV-KFWWJZLASA-N	1	0	365.478	1.529	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C(N)=O)cc4)C[C@H]32)c1	ZINC001075656664	810903409	/nfs/dbraw/zinc/90/34/09/810903409.db2.gz	CGPKCOFJSWMFPR-FUHWJXTLSA-N	1	0	363.421	1.332	20	30		FDEDRO
CC(C)(C)N1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)C1=O	ZINC001075658735	810910045	/nfs/dbraw/zinc/91/00/45/810910045.db2.gz	QQSAPCSYGZXPDI-BHYGNILZSA-N	1	0	369.469	1.432	20	30		FDEDRO
C[C@@H](O)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1	ZINC001087463625	811112471	/nfs/dbraw/zinc/11/24/71/811112471.db2.gz	SWIAXSAUVHBALS-OMWUSAIZSA-N	1	0	370.428	1.994	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cc(=O)n(C)o2)C1	ZINC001087464555	811205875	/nfs/dbraw/zinc/20/58/75/811205875.db2.gz	PBOIGTJUNVADSQ-HZPDHXFCSA-N	1	0	359.401	1.891	20	30		FDEDRO
C[NH+]=C(NCCc1cn2ccccc2n1)N1CCO[C@H](c2cnn(C)c2)C1	ZINC000261748904	811310590	/nfs/dbraw/zinc/31/05/90/811310590.db2.gz	LQVASOHYTUFCNV-KRWDZBQOSA-N	1	0	367.457	1.259	20	30		FDEDRO
C[C@@H](NC(=[NH2+])N1CCN(c2ncccn2)CC1)c1ccc([S@@](C)=O)cc1	ZINC000261789510	811320572	/nfs/dbraw/zinc/32/05/72/811320572.db2.gz	QSZJSZKAYHBVJT-IYJVBRSBSA-N	1	0	372.498	1.412	20	30		FDEDRO
Cc1nnc(CNC(=[NH+]C2CC2)N2CC[C@H](Oc3ccccn3)C2)n1C	ZINC000261969326	811356950	/nfs/dbraw/zinc/35/69/50/811356950.db2.gz	MJGNZUNSCDHWGE-HNNXBMFYSA-N	1	0	355.446	1.280	20	30		FDEDRO
COC(=O)[C@@H]1[C@H](C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C1(F)F	ZINC000894222558	811392154	/nfs/dbraw/zinc/39/21/54/811392154.db2.gz	VDKUNIPKEWFXAY-ZFWWWQNUSA-N	1	0	350.369	1.566	20	30		FDEDRO
CN(C)C(=O)C[NH+]=C(NCc1ccco1)N[C@@H]1CCc2ccccc2C1	ZINC000262261153	811426526	/nfs/dbraw/zinc/42/65/26/811426526.db2.gz	DWOIYVFYWGRIMB-QGZVFWFLSA-N	1	0	354.454	1.961	20	30		FDEDRO
C[C@@H]1C[C@H]([NH+]=C(NCC(=O)N(C)C)N[C@H]2CCOc3ccccc32)CCO1	ZINC000262264750	811427248	/nfs/dbraw/zinc/42/72/48/811427248.db2.gz	FRIMOYIBSMTQNB-INMHGKMJSA-N	1	0	374.485	1.701	20	30		FDEDRO
CN(C)C(=O)C[NH+]=C(NCc1ccnn1C)N[C@H]1CCc2ccccc2C1	ZINC000262320518	811441139	/nfs/dbraw/zinc/44/11/39/811441139.db2.gz	RUZKAYFGTPHCSB-KRWDZBQOSA-N	1	0	368.485	1.101	20	30		FDEDRO
C[NH+]=C(NCCN1CCc2sccc2C1)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000262475689	811475596	/nfs/dbraw/zinc/47/55/96/811475596.db2.gz	QBQHYWXGQZEJOP-OAHLLOKOSA-N	1	0	372.542	1.905	20	30		FDEDRO
C/[NH+]=C(/NCc1cn2ccsc2n1)N1CCN(C(=O)c2ccco2)CC1	ZINC000262529743	811486658	/nfs/dbraw/zinc/48/66/58/811486658.db2.gz	HUVYVYMMPAYCFS-UHFFFAOYSA-N	1	0	372.454	1.522	20	30		FDEDRO
CO[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)c1ccc(Cl)cc1	ZINC000262550178	811490408	/nfs/dbraw/zinc/49/04/08/811490408.db2.gz	XRWYCJVMTCYYHN-INIZCTEOSA-N	1	0	374.876	1.954	20	30		FDEDRO
CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)c1cc(C#N)cn1C	ZINC000513518274	811568605	/nfs/dbraw/zinc/56/86/05/811568605.db2.gz	CVNGKGYYWGERIV-UHFFFAOYSA-N	1	0	365.481	1.787	20	30		FDEDRO
N#Cc1ccc(C[C@@H](C#N)C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1	ZINC000280158108	811730344	/nfs/dbraw/zinc/73/03/44/811730344.db2.gz	BTYVHLZBVQMCSB-OALUTQOASA-N	1	0	352.438	1.421	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1C(=O)N1CCC(n2cnc(C#N)n2)CC1	ZINC000366406337	811984718	/nfs/dbraw/zinc/98/47/18/811984718.db2.gz	XZOIEDDCCFLVHB-UHFFFAOYSA-N	1	0	368.441	1.567	20	30		FDEDRO
C=CCC[C@H](NC(=O)C(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+])c1ccccc1	ZINC000419660491	812092476	/nfs/dbraw/zinc/09/24/76/812092476.db2.gz	CFDTXLJTCVJYST-KSZLIROESA-N	1	0	359.470	1.775	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CC2)cc1	ZINC000419798512	812192857	/nfs/dbraw/zinc/19/28/57/812192857.db2.gz	XRWOVLFJRHVCKK-UHFFFAOYSA-N	1	0	359.430	1.143	20	30		FDEDRO
C=CCN(C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1)C1CC1	ZINC000419869449	812266323	/nfs/dbraw/zinc/26/63/23/812266323.db2.gz	BNEKIJGFKOAPRJ-ROUUACIJSA-N	1	0	357.454	1.434	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc2n[nH]c(=O)n2c1	ZINC000513956363	815554406	/nfs/dbraw/zinc/55/44/06/815554406.db2.gz	ZPXISBZCOSMQNL-UHFFFAOYSA-N	1	0	364.409	1.511	20	30		FDEDRO
C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1	ZINC000420117452	813476387	/nfs/dbraw/zinc/47/63/87/813476387.db2.gz	LUVLDFWQZREGCW-KBXCAEBGSA-N	1	0	352.438	1.288	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCC1=CC[NH2+]CC1	ZINC000420157865	813499236	/nfs/dbraw/zinc/49/92/36/813499236.db2.gz	AKTGWLWWJLEYGP-UHFFFAOYSA-N	1	0	354.454	1.721	20	30		FDEDRO
C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1	ZINC000420176453	813514868	/nfs/dbraw/zinc/51/48/68/813514868.db2.gz	ZTJPPEUMXRQWHK-KDOFPFPSSA-N	1	0	352.438	1.431	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2nnc3ccccc3n2)C[C@H]1C(F)(F)F	ZINC001112131276	814828032	/nfs/dbraw/zinc/82/80/32/814828032.db2.gz	VKTXUYMTRXUAJJ-BXUZGUMPSA-N	1	0	363.343	1.641	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)NC(C)(C)CC[NH3+])c(C#N)cn1CCOC	ZINC000422576204	814830042	/nfs/dbraw/zinc/83/00/42/814830042.db2.gz	QKMMKEMKIZWFPC-UHFFFAOYSA-N	1	0	365.434	1.432	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1	ZINC000422958207	814920633	/nfs/dbraw/zinc/92/06/33/814920633.db2.gz	XBQLFJWSZDSZEI-UHFFFAOYSA-N	1	0	372.494	1.262	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2cn(CC3CC3)nn2)C1	ZINC001028808952	815788245	/nfs/dbraw/zinc/78/82/45/815788245.db2.gz	IMJCBDJGJIGCJO-JQHSSLGASA-N	1	0	359.474	1.217	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N(C)CC1CC1	ZINC001167957017	815856556	/nfs/dbraw/zinc/85/65/56/815856556.db2.gz	SGYSLUKINIOVPN-WMZOPIPTSA-N	1	0	351.491	1.322	20	30		FDEDRO
CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)[C@H](C)c2cccc(C#N)c2)C1	ZINC000425390247	816079442	/nfs/dbraw/zinc/07/94/42/816079442.db2.gz	VWQMBQQCVQRLHH-NVXWUHKLSA-N	1	0	356.470	1.878	20	30		FDEDRO
C=CCn1cc(CNC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nn1	ZINC000425410025	816187921	/nfs/dbraw/zinc/18/79/21/816187921.db2.gz	BJUCWORQBHFRIH-QGZVFWFLSA-N	1	0	354.458	1.928	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3CCC(CCC#N)CC3)CC2)o1	ZINC000515379786	816235225	/nfs/dbraw/zinc/23/52/25/816235225.db2.gz	SRSQAGDOKMFKIR-UHFFFAOYSA-N	1	0	370.457	1.519	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2c(C)nnn2CC)C1	ZINC001028862357	816298139	/nfs/dbraw/zinc/29/81/39/816298139.db2.gz	QTNQVRGVLQXJKB-BQFCYCMXSA-N	1	0	361.490	1.526	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccnc(OC)n2)C1	ZINC001028862062	816305259	/nfs/dbraw/zinc/30/52/59/816305259.db2.gz	KUGQEQZQBREDIT-PVAVHDDUSA-N	1	0	360.458	1.405	20	30		FDEDRO
COc1cc(/C=C/C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)ccc1OCC#N	ZINC000285344119	816308259	/nfs/dbraw/zinc/30/82/59/816308259.db2.gz	TXDVCKGWBRLTSN-TZNLOLHFSA-N	1	0	371.437	1.542	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccn(C)c(=O)c2)C1	ZINC001028862797	816312682	/nfs/dbraw/zinc/31/26/82/816312682.db2.gz	XKMDXSVDUUSGAT-AOIWGVFYSA-N	1	0	359.470	1.305	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)COCC(F)F)C[C@H]1C(F)(F)F	ZINC001112137789	816674575	/nfs/dbraw/zinc/67/45/75/816674575.db2.gz	DWRPLNFQYNIQRA-GHMZBOCLSA-N	1	0	356.335	1.906	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C[C@@H]21	ZINC000516541379	816896856	/nfs/dbraw/zinc/89/68/56/816896856.db2.gz	MRIGFPKUHRSMRM-CPUCHLNUSA-N	1	0	372.856	1.727	20	30		FDEDRO
CC(C)CC(=O)N1CCC([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000516762168	816994129	/nfs/dbraw/zinc/99/41/29/816994129.db2.gz	XFIDOTFLCKOEOH-GOSISDBHSA-N	1	0	359.470	1.925	20	30		FDEDRO
C=CCn1cc(CNC(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)nn1	ZINC000425794857	817034439	/nfs/dbraw/zinc/03/44/39/817034439.db2.gz	DECSKXNELXGIBP-QGZVFWFLSA-N	1	0	368.441	1.268	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000516992866	817158586	/nfs/dbraw/zinc/15/85/86/817158586.db2.gz	MAPMGMXIPHVLOM-QZTJIDSGSA-N	1	0	365.518	1.685	20	30		FDEDRO
N#CCC1CC[NH+](CC(=O)NCc2cccc(C(=O)NC3CC3)c2)CC1	ZINC000517112278	817225331	/nfs/dbraw/zinc/22/53/31/817225331.db2.gz	UMNRGUHHSFOHTF-UHFFFAOYSA-N	1	0	354.454	1.821	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000425860689	817237361	/nfs/dbraw/zinc/23/73/61/817237361.db2.gz	URHAUNUMWHFSAT-NMLBUPMWSA-N	1	0	373.497	1.760	20	30		FDEDRO
N#CCCCCNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1	ZINC000425888742	817309344	/nfs/dbraw/zinc/30/93/44/817309344.db2.gz	UGFWWWUJWOUHEG-ZWKOTPCHSA-N	1	0	354.454	1.529	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)CC1	ZINC000425887692	817321516	/nfs/dbraw/zinc/32/15/16/817321516.db2.gz	RQHPNRVNJNRCCU-HNNXBMFYSA-N	1	0	354.454	1.844	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2cnn(-c3ccc(=O)[nH]n3)c2C)CC1	ZINC000517304312	817386805	/nfs/dbraw/zinc/38/68/05/817386805.db2.gz	GJCCXVGGVVXJHX-UHFFFAOYSA-N	1	0	356.430	1.447	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C	ZINC000437930492	817402298	/nfs/dbraw/zinc/40/22/98/817402298.db2.gz	JFQJABAMDJNFIW-YESZJQIVSA-N	1	0	368.522	1.359	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4c(C)coc4C)[C@@H]3C2)C1=O	ZINC001075753198	817665825	/nfs/dbraw/zinc/66/58/25/817665825.db2.gz	GXVWLPZYEKEXFA-YESZJQIVSA-N	1	0	357.454	1.830	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2C(=O)CNC2=O)CCCC1	ZINC001111522887	817723358	/nfs/dbraw/zinc/72/33/58/817723358.db2.gz	MCECLUVFWRJMBP-OAGGEKHMSA-N	1	0	374.485	1.396	20	30		FDEDRO
Cc1nnc(CNC(=[NH+]C2CCCC2)N2CCC[C@@H](CC(N)=O)C2)n1C	ZINC000261959859	817798062	/nfs/dbraw/zinc/79/80/62/817798062.db2.gz	JVFXQMUUDUGIHQ-AWEZNQCLSA-N	1	0	361.494	1.099	20	30		FDEDRO
CC[NH+]=C(NC[C@]1(O)CCc2ccccc21)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000261961413	817801721	/nfs/dbraw/zinc/80/17/21/817801721.db2.gz	KIBQBJQRAZIWNB-QFIXIFRTSA-N	1	0	356.514	1.858	20	30		FDEDRO
C=CCc1cc(CNC(=O)NC[C@@](C)(O)C[NH+](C)C)cc(OC)c1OC	ZINC000506448364	817810884	/nfs/dbraw/zinc/81/08/84/817810884.db2.gz	QIMYZDCEPQPEGR-LJQANCHMSA-N	1	0	365.474	1.544	20	30		FDEDRO
C[NH+]=C(NCC1(C2CC2)CC1)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1	ZINC000261971704	817874324	/nfs/dbraw/zinc/87/43/24/817874324.db2.gz	MZVPBDQIIRYLDP-INIZCTEOSA-N	1	0	361.534	1.381	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CN(CC#N)CC[C@@H]2c2ccc(F)cc2)C1	ZINC001087467929	817935785	/nfs/dbraw/zinc/93/57/85/817935785.db2.gz	XWJOHFAIMZPWOB-KFKAGJAMSA-N	1	0	358.461	1.965	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)cc1	ZINC000439363739	817946817	/nfs/dbraw/zinc/94/68/17/817946817.db2.gz	GULNVOOQWKUJBB-AWEZNQCLSA-N	1	0	373.457	1.485	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2cn[nH]c(=O)c2)C1	ZINC001087474580	818267823	/nfs/dbraw/zinc/26/78/23/818267823.db2.gz	NNSRBFFEBKXTHM-ROUUACIJSA-N	1	0	368.437	1.965	20	30		FDEDRO
COc1ccc([C@@H]2CCN(CC#N)C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2C)cc1	ZINC001087474981	818294646	/nfs/dbraw/zinc/29/46/46/818294646.db2.gz	KAZMVDGPTIJMTO-SLFFLAALSA-N	1	0	370.497	1.977	20	30		FDEDRO
COC(=O)c1c(C[NH2+]CCn2cnc(C#N)n2)c2cc(F)ccc2n1C	ZINC000894749158	818391412	/nfs/dbraw/zinc/39/14/12/818391412.db2.gz	COCGDOCTYAAEPS-UHFFFAOYSA-N	1	0	356.361	1.357	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(C#N)s3)C2)C1	ZINC000983693605	818569323	/nfs/dbraw/zinc/56/93/23/818569323.db2.gz	RWKMKTHMCCEAOX-BRXULGCHSA-N	1	0	360.483	1.519	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)CN1CC[C@@](C)(NCC(=O)OC(C)(C)C)C1	ZINC000440491812	818689115	/nfs/dbraw/zinc/68/91/15/818689115.db2.gz	IDKPUGGPKAKPER-DNVCBOLYSA-N	1	0	366.506	1.390	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2CCN(C(=O)CSCC#N)C2)CC[N@@H+]1C	ZINC001059197848	818791881	/nfs/dbraw/zinc/79/18/81/818791881.db2.gz	ISQUPKPBGZCUAL-OWCLPIDISA-N	1	0	366.531	1.328	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]Cc2nncs2)CC1	ZINC001029147124	818935835	/nfs/dbraw/zinc/93/58/35/818935835.db2.gz	ZRVUHUSXQYIKOR-YUELXQCFSA-N	1	0	350.488	1.846	20	30		FDEDRO
COc1ccc(C#N)cc1CN1C[C@@H](NC(=O)[C@H](C)n2cccc2)[C@@H](O)C1	ZINC001083409491	819151994	/nfs/dbraw/zinc/15/19/94/819151994.db2.gz	XDMCBVLULBSQHF-QGTPRVQTSA-N	1	0	368.437	1.291	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C1(C(=O)Nc2ccc(OC)c(OC)c2)CCCC1	ZINC000440904157	819157690	/nfs/dbraw/zinc/15/76/90/819157690.db2.gz	UTYLRQLWXIYENG-UHFFFAOYSA-N	1	0	361.442	1.847	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2[C@H]2CCCO2)C[C@H]1C(F)(F)F	ZINC001112151917	819223274	/nfs/dbraw/zinc/22/32/74/819223274.db2.gz	BALXSDWZROWMGM-MGPQQGTHSA-N	1	0	370.375	1.877	20	30		FDEDRO
COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000520168483	819233969	/nfs/dbraw/zinc/23/39/69/819233969.db2.gz	AMKSMOAJFOWQNF-QAPCUYQASA-N	1	0	372.469	1.038	20	30		FDEDRO
CC(=O)Nc1cccc(OCC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)c1	ZINC000520219106	819258554	/nfs/dbraw/zinc/25/85/54/819258554.db2.gz	TYNNRWCUGCEYGZ-SFHVURJKSA-N	1	0	369.421	1.925	20	30		FDEDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	ZINC000520376709	819328341	/nfs/dbraw/zinc/32/83/41/819328341.db2.gz	MJEPGLXFJUXEBB-KRWDZBQOSA-N	1	0	365.437	1.721	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000895010543	819461576	/nfs/dbraw/zinc/46/15/76/819461576.db2.gz	YGCYKJUUNIRTGZ-SFHVURJKSA-N	1	0	356.470	1.311	20	30		FDEDRO
Cc1cn2c(n1)[C@H](CNC(=O)N1CC[NH+](C[C@@H]3CCOC3)CC1)CCC2	ZINC000328658556	819524317	/nfs/dbraw/zinc/52/43/17/819524317.db2.gz	RGDYONGIJNLAPW-IRXDYDNUSA-N	1	0	361.490	1.637	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)c3cn4c(n3)CCCC4)ccn2)CC1	ZINC000328704989	819537456	/nfs/dbraw/zinc/53/74/56/819537456.db2.gz	KWXGWWDRUUQNHQ-UHFFFAOYSA-N	1	0	354.458	1.871	20	30		FDEDRO
CC(C)(CNC(=O)N1C[C@@H]2COC[C@H](C1)O2)[N@@H+]1CCc2ccccc2C1	ZINC000328738607	819541585	/nfs/dbraw/zinc/54/15/85/819541585.db2.gz	MFVRUSGKSVLVBI-HDICACEKSA-N	1	0	359.470	1.837	20	30		FDEDRO
C[C@@H]1CN(C[C@@H]2CCCN2C(=O)NCc2nnc3n2CCC3)C[C@H](C)O1	ZINC000328789905	819556694	/nfs/dbraw/zinc/55/66/94/819556694.db2.gz	QATDNWBEPKBTDE-ZNMIVQPWSA-N	1	0	362.478	1.212	20	30		FDEDRO
O=C(N[C@@H]1CCC(=O)N[C@@H]1C1CC1)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000328889960	819578884	/nfs/dbraw/zinc/57/88/84/819578884.db2.gz	RGYJJVJELGYTGH-QGPMSJSTSA-N	1	0	364.490	1.842	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)c2ccn[nH]2)CC1	ZINC000983852353	819788748	/nfs/dbraw/zinc/78/87/48/819788748.db2.gz	YCWNUAVLJVWYQL-WBVHZDCISA-N	1	0	371.485	1.112	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1	ZINC000425500132	819894688	/nfs/dbraw/zinc/89/46/88/819894688.db2.gz	LFAHGERBSQMNJC-RYQLBKOJSA-N	1	0	356.470	1.593	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC3CCC(F)(F)CC3)C[C@@H]2O)[nH]1	ZINC001083413435	820006193	/nfs/dbraw/zinc/00/61/93/820006193.db2.gz	NRDJSCMWMBXJEK-CABCVRRESA-N	1	0	352.385	1.487	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCc4ccc(F)cc43)C[C@@H]2O)[nH]1	ZINC001083414143	820149954	/nfs/dbraw/zinc/14/99/54/820149954.db2.gz	OFUCYEIFSUEVOE-QYZOEREBSA-N	1	0	368.412	1.878	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)[C@H](CC)[NH+](C)C)nc1	ZINC000983935422	820219839	/nfs/dbraw/zinc/21/98/39/820219839.db2.gz	LZXNJLKYUVPTQH-AYBZRNKSSA-N	1	0	370.497	1.760	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)nc1	ZINC000983952892	820273736	/nfs/dbraw/zinc/27/37/36/820273736.db2.gz	HDSCIACUKWTPLX-NJAFHUGGSA-N	1	0	368.481	1.372	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1cnn(C)c1	ZINC001029311896	820536361	/nfs/dbraw/zinc/53/63/61/820536361.db2.gz	GESKWBPDICMOFQ-HCXYKTFWSA-N	1	0	358.486	1.619	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cnc(C)cn1	ZINC001029312074	820538204	/nfs/dbraw/zinc/53/82/04/820538204.db2.gz	PEIHTPRODSREOU-HCXYKTFWSA-N	1	0	356.470	1.941	20	30		FDEDRO
CC(=O)N1CCN(C(=O)C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)CC1	ZINC000521195576	821148555	/nfs/dbraw/zinc/14/85/55/821148555.db2.gz	IORRWDNZUIAADB-UHFFFAOYSA-N	1	0	356.470	1.707	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1ccn(C)c(=O)c1	ZINC001087545560	821248152	/nfs/dbraw/zinc/24/81/52/821248152.db2.gz	QMNCRSCPFQLCBJ-DOTOQJQBSA-N	1	0	353.426	1.368	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccnn3CC)[C@H]2CC)C1=O	ZINC001087553353	821417383	/nfs/dbraw/zinc/41/73/83/821417383.db2.gz	BSYVGFITCFQCSQ-UXLLHSPISA-N	1	0	359.474	1.273	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cn(C)nn2)CCN1Cc1ccc(C#N)c(F)c1	ZINC001087560761	821481938	/nfs/dbraw/zinc/48/19/38/821481938.db2.gz	NDHCPPANBYKIQK-DOTOQJQBSA-N	1	0	356.405	1.609	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)Cc2nnc(C)o2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087563354	821506018	/nfs/dbraw/zinc/50/60/18/821506018.db2.gz	RSXVNGZJYQHAEZ-DLBZAZTESA-N	1	0	353.426	1.962	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1	ZINC000984219246	821531808	/nfs/dbraw/zinc/53/18/08/821531808.db2.gz	HAGPESFLEWEADR-AOIWGVFYSA-N	1	0	363.502	1.513	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCc2ccnn2C)[C@@H]1CC	ZINC001087576482	821581326	/nfs/dbraw/zinc/58/13/26/821581326.db2.gz	KEEAKUBHVOBHDJ-HCXYKTFWSA-N	1	0	360.502	1.913	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC(=O)N(CC)C2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087592798	821637345	/nfs/dbraw/zinc/63/73/45/821637345.db2.gz	YJMRBQCYIUHPIH-HSALFYBXSA-N	1	0	367.493	1.876	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCNC2=O)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087600479	821683628	/nfs/dbraw/zinc/68/36/28/821683628.db2.gz	WLIRAXSKDIZIHY-GBESFXJTSA-N	1	0	353.466	1.533	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(=O)n(C)cn2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087608642	821723391	/nfs/dbraw/zinc/72/33/91/821723391.db2.gz	UZCZTVFVRNVPMK-FUHWJXTLSA-N	1	0	365.437	1.435	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(=O)n(C)cn2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087608638	821723545	/nfs/dbraw/zinc/72/35/45/821723545.db2.gz	UUCSKPNOKMUBDT-FUHWJXTLSA-N	1	0	365.437	1.435	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCNC2=O)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087610026	821729182	/nfs/dbraw/zinc/72/91/82/821729182.db2.gz	OOJATCOVLRBIFW-FGTMMUONSA-N	1	0	354.454	1.554	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCN(C)C2=O)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087612848	821742049	/nfs/dbraw/zinc/74/20/49/821742049.db2.gz	JLXFCVULQICZKO-HSALFYBXSA-N	1	0	367.493	1.876	20	30		FDEDRO
C=C(Br)CN1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)[C@H]1CC	ZINC001087663542	821958977	/nfs/dbraw/zinc/95/89/77/821958977.db2.gz	QOVGXBWGDIMXKD-WCQYABFASA-N	1	0	369.263	1.272	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCNC(=O)CC2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087673380	821984472	/nfs/dbraw/zinc/98/44/72/821984472.db2.gz	JQRBGTFAJFEROS-CEXWTWQISA-N	1	0	368.481	1.944	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C[C@H](O)Cn3cccn3)[C@@H]2CC)cc1	ZINC001087682477	822016184	/nfs/dbraw/zinc/01/61/84/822016184.db2.gz	ZVHTXWQLHQLNFX-SLFFLAALSA-N	1	0	366.465	1.508	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2C)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087697792	822095508	/nfs/dbraw/zinc/09/55/08/822095508.db2.gz	QOBMDNFSXXAHEE-IPMKNSEASA-N	1	0	353.466	1.628	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccn(C)c3C)[C@H]2CC)C1=O	ZINC001087716397	822179769	/nfs/dbraw/zinc/17/97/69/822179769.db2.gz	ITYFOAVDGQHPNC-RCCFBDPRSA-N	1	0	358.486	1.703	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](C[C@H]3CC(C)(C)CO3)[C@@H]2CC)nn1	ZINC001087754246	822369337	/nfs/dbraw/zinc/36/93/37/822369337.db2.gz	VQIYYSOZVQHTCL-HLLBOEOZSA-N	1	0	361.490	1.862	20	30		FDEDRO
COCC[NH2+][C@@H]1CN(C(=O)CC(F)(F)C(F)F)C[C@H]1C(F)(F)F	ZINC001112167583	822399723	/nfs/dbraw/zinc/39/97/23/822399723.db2.gz	SRMOZOUBQRWURS-HTQZYQBOSA-N	1	0	354.266	1.902	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)[C@@H]1CC	ZINC001087810872	822470546	/nfs/dbraw/zinc/47/05/46/822470546.db2.gz	PWZCIMRFXYAAFV-RBUKOAKNSA-N	1	0	353.466	1.458	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCc4ccccc4C3)C[C@@H]2O)c[nH]1	ZINC001083417924	822523916	/nfs/dbraw/zinc/52/39/16/822523916.db2.gz	JFKDEBLSUXAMKK-XMCHAPAWSA-N	1	0	364.449	1.466	20	30		FDEDRO
C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1	ZINC001083418494	822635862	/nfs/dbraw/zinc/63/58/62/822635862.db2.gz	MEHKYCGDPKCZAR-SVIJTADQSA-N	1	0	364.449	1.911	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)/C=C/c4ccco4)C[C@@H]3C2)C1=O	ZINC001087869627	822647867	/nfs/dbraw/zinc/64/78/67/822647867.db2.gz	YUOMPOZLULEYRG-RJSUEEAMSA-N	1	0	369.465	1.860	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cn4cccn4)C[C@@H]3C2)s1	ZINC001087884986	822715735	/nfs/dbraw/zinc/71/57/35/822715735.db2.gz	SBPTWIKQLKEAMS-CABCVRRESA-N	1	0	355.467	1.797	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4COCCO4)C[C@@H]3C2)cc1	ZINC001087893829	822741579	/nfs/dbraw/zinc/74/15/79/822741579.db2.gz	XEBTYVYJPMYANE-CEXWTWQISA-N	1	0	355.438	1.254	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4nccnc4N)C[C@@H]3C2)c1	ZINC001087913092	823786617	/nfs/dbraw/zinc/78/66/17/823786617.db2.gz	WNGDPNJXFQLCHQ-SJORKVTESA-N	1	0	362.437	1.525	20	30		FDEDRO
N#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](CCO[C@H]4CC4(F)F)CC[C@@H]3C2)[nH]1	ZINC001087938814	824018814	/nfs/dbraw/zinc/01/88/14/824018814.db2.gz	LWLNUUFWHRBMIK-WWGRRREGSA-N	1	0	364.396	1.704	20	30		FDEDRO
Cc1noc(CCC[N@@H+]2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]3C2)n1	ZINC001087940631	824036529	/nfs/dbraw/zinc/03/65/29/824036529.db2.gz	QGDMIZZNIRBMOV-ZBFHGGJFSA-N	1	0	368.441	1.605	20	30		FDEDRO
Cn1cc(C(=O)N2C[C@@H]3C[N@@H+](CC#Cc4ccc(F)cc4)CC[C@@H]3C2)nn1	ZINC001087956361	824146140	/nfs/dbraw/zinc/14/61/40/824146140.db2.gz	LRIWVDSDCXPEAK-SJORKVTESA-N	1	0	367.428	1.400	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn([C@@H]4CCOC4)nc3C)C[C@@H]2C1	ZINC001087966747	824247028	/nfs/dbraw/zinc/24/70/28/824247028.db2.gz	SRUPHHUPHJLBRS-FGTMMUONSA-N	1	0	356.470	1.570	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]CCN3Cc4ccccc4OCC3=O)cnc12	ZINC000896280222	824275807	/nfs/dbraw/zinc/27/58/07/824275807.db2.gz	CCGXYVYNGDLXKP-UHFFFAOYSA-N	1	0	362.393	1.112	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@]34C[C@H]3COC4)C[C@@H]2C1	ZINC001087973230	824304869	/nfs/dbraw/zinc/30/48/69/824304869.db2.gz	PRJRDIDLNWNRAG-JKBKZWBZSA-N	1	0	351.450	1.875	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)[C@H]2CC)c1	ZINC000984705529	824506676	/nfs/dbraw/zinc/50/66/76/824506676.db2.gz	SHAUYIMWGQETBP-KSZLIROESA-N	1	0	354.454	1.266	20	30		FDEDRO
Cc1cc(N2CC[C@@H](NC(=O)N3CCCC34CC[NH+](C)CC4)C2=O)n(C)n1	ZINC000329070775	824557616	/nfs/dbraw/zinc/55/76/16/824557616.db2.gz	NLMPRCIKNNCJTF-OAHLLOKOSA-N	1	0	374.489	1.308	20	30		FDEDRO
Cc1nc(Cn2nnc(NC(=O)N3CCC[C@@H]3C[NH+]3CCCC3)c2C)no1	ZINC000329151214	824632625	/nfs/dbraw/zinc/63/26/25/824632625.db2.gz	ZZRYCBBHSCMVIE-CQSZACIVSA-N	1	0	374.449	1.432	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccc4c(c3)NC(=O)CO4)CC2)C1=O	ZINC000329158566	824633756	/nfs/dbraw/zinc/63/37/56/824633756.db2.gz	DNGNGSSTTCRBLY-OAHLLOKOSA-N	1	0	372.425	1.667	20	30		FDEDRO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)C1	ZINC000329309935	824726472	/nfs/dbraw/zinc/72/64/72/824726472.db2.gz	ZFIRBDGDPBOFCU-IKGGRYGDSA-N	1	0	365.522	1.899	20	30		FDEDRO
Cn1cc([C@@H]2[C@@H](C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)CCC(=O)N2C)cn1	ZINC000329319751	824733015	/nfs/dbraw/zinc/73/30/15/824733015.db2.gz	TXMJQATUJIIGPQ-QANKJYHBSA-N	1	0	359.474	1.770	20	30		FDEDRO
Cc1cc2c[nH]nc2c(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)c1	ZINC000329355427	824752381	/nfs/dbraw/zinc/75/23/81/824752381.db2.gz	YYIMLIYPLAQFLW-INIZCTEOSA-N	1	0	355.442	1.871	20	30		FDEDRO
C[N@H+](Cc1ccccc1C#N)C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1	ZINC000985646405	828692551	/nfs/dbraw/zinc/69/25/51/828692551.db2.gz	DYGPEJZMDOESGA-CVEARBPZSA-N	1	0	368.481	1.883	20	30		FDEDRO
Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCN(C3CC3)CC2)CCC[N@@H+]1C	ZINC000329499575	824837650	/nfs/dbraw/zinc/83/76/50/824837650.db2.gz	KAHABKCNHCWJME-MAUKXSAKSA-N	1	0	360.506	1.497	20	30		FDEDRO
C[NH+]1CCC2(CCCN2C(=O)NC[C@H]2CCn3ncc(C(N)=O)c3C2)CC1	ZINC000329527299	824853966	/nfs/dbraw/zinc/85/39/66/824853966.db2.gz	UFNDCUHLKMROQU-AWEZNQCLSA-N	1	0	374.489	1.803	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)C[NH+]1CCC(C)CC1	ZINC000984782609	824907099	/nfs/dbraw/zinc/90/70/99/824907099.db2.gz	NSCBYIZOUNMFHW-FUHWJXTLSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCN(CC)C3=O)CC[C@@H]2C1	ZINC001087993069	824957138	/nfs/dbraw/zinc/95/71/38/824957138.db2.gz	YBSUYLMXOHMTAQ-ZIFCJYIRSA-N	1	0	370.497	1.689	20	30		FDEDRO
CN(CC[NH+](C)C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N	ZINC000896820914	825006354	/nfs/dbraw/zinc/00/63/54/825006354.db2.gz	MHYPREQZRNIIBO-XAUUPUKJSA-N	1	0	364.490	1.793	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cn(C(C)(C)C)nn2)C1	ZINC000984825941	825033169	/nfs/dbraw/zinc/03/31/69/825033169.db2.gz	JEVGJKJHJQOFHC-SRABZTEZSA-N	1	0	361.490	1.609	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cn(CC3CC3)nn2)C1	ZINC000984826170	825033180	/nfs/dbraw/zinc/03/31/80/825033180.db2.gz	MYPPTPUCBVSWJO-AHCXZYCDSA-N	1	0	359.474	1.264	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1	ZINC000329628412	825047271	/nfs/dbraw/zinc/04/72/71/825047271.db2.gz	UQNYUVIFEUVJHN-IAGOWNOFSA-N	1	0	359.474	1.136	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3c3ncccn3)C[C@@H]2C1	ZINC001087999967	825057986	/nfs/dbraw/zinc/05/79/86/825057986.db2.gz	JPZFFMUVMJDWLR-SQNIBIBYSA-N	1	0	353.470	1.249	20	30		FDEDRO
Cc1ccc([C@H](CNC(=O)CN2CCN(C)C(=O)C2)[NH+]2CCCC2)cc1	ZINC000329630378	825082546	/nfs/dbraw/zinc/08/25/46/825082546.db2.gz	VKFXGBFDLCCLKN-SFHVURJKSA-N	1	0	358.486	1.862	20	30		FDEDRO
CC(C)NC(=O)CNC(=[NH+]CC(=O)N(C)C)N1CC[C@@H](C)C2(CCC2)C1	ZINC000262319595	825170525	/nfs/dbraw/zinc/17/05/25/825170525.db2.gz	RPQODHGRFKKIKV-OAHLLOKOSA-N	1	0	365.522	1.057	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N1CCN(Cc2cc(C)on2)CC1	ZINC000262335858	825357338	/nfs/dbraw/zinc/35/73/38/825357338.db2.gz	BTZYSYOIUSXFIC-GVDBMIGSSA-N	1	0	361.490	1.490	20	30		FDEDRO
Cc1c(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)cccc1N1C(=O)N[C@H](C)C1=O	ZINC000329722120	825381962	/nfs/dbraw/zinc/38/19/62/825381962.db2.gz	NHLOSOOPDXZQAN-CZUORRHYSA-N	1	0	371.441	1.622	20	30		FDEDRO
Cn1cncc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)CC[C@@H]2C1	ZINC001088028992	825413469	/nfs/dbraw/zinc/41/34/69/825413469.db2.gz	QPERXAGWMRLIPB-KGLIPLIRSA-N	1	0	355.467	1.947	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CCO[C@H]3C(=C)C)C2)C1=O	ZINC000984917288	825432995	/nfs/dbraw/zinc/43/29/95/825432995.db2.gz	RUQPTJAZLRRSIR-ATIWLJMLSA-N	1	0	361.486	1.239	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(NC(C)=O)cc3)C[C@@H]2C1	ZINC001088030451	825445778	/nfs/dbraw/zinc/44/57/78/825445778.db2.gz	QNMMSYQBLBOIAA-MOPGFXCFSA-N	1	0	353.466	1.991	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3cc(=O)n(CC(C)C)[n-]3)C[C@@H]2C1	ZINC001088030633	825446712	/nfs/dbraw/zinc/44/67/12/825446712.db2.gz	ZYRNXVAPQMNUHH-SJORKVTESA-N	1	0	358.486	1.179	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccnc(OC)n2)C1	ZINC000984922641	825454024	/nfs/dbraw/zinc/45/40/24/825454024.db2.gz	XXARJJKEBABERN-HJWJTTGWSA-N	1	0	360.458	1.451	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccn(C)c(=O)c2)C1	ZINC000984918651	825458716	/nfs/dbraw/zinc/45/87/16/825458716.db2.gz	BMJUBUDDYXVSJV-DWRORGKVSA-N	1	0	359.470	1.351	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnc(C(C)C)[nH]2)C1	ZINC000984918796	825459035	/nfs/dbraw/zinc/45/90/35/825459035.db2.gz	DYRVPVVVBARYSX-JKQORVJESA-N	1	0	361.490	1.894	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)N(C)C[C@@H]2C[C@H](F)CN2c2nnc(C)o2)CC1	ZINC000329897869	825529173	/nfs/dbraw/zinc/52/91/73/825529173.db2.gz	DGBQZUYTQXGZRC-ZFWWWQNUSA-N	1	0	368.457	1.625	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H](NC(=O)N(C)C[C@@H]2C[C@H](F)CN2c2nnc(C)o2)C1	ZINC000329898505	825529809	/nfs/dbraw/zinc/52/98/09/825529809.db2.gz	DWRACUPKASAQOX-ZNMIVQPWSA-N	1	0	368.457	1.625	20	30		FDEDRO
O=C(NC[C@@H]1COc2ccccc2O1)N1CC[NH+](C2CCOCC2)CC1	ZINC000329945076	825558106	/nfs/dbraw/zinc/55/81/06/825558106.db2.gz	FNQRERGWPAOQNX-MRXNPFEDSA-N	1	0	361.442	1.537	20	30		FDEDRO
C[C@@]1(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4)CC[C@@H]3C2)CNC(=O)C1	ZINC001088050638	825599334	/nfs/dbraw/zinc/59/93/34/825599334.db2.gz	PWTCUOATLCFNJX-LQWHRVPQSA-N	1	0	366.465	1.365	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)nn(C)c1-n1ccnc1C	ZINC000330031185	825606617	/nfs/dbraw/zinc/60/66/17/825606617.db2.gz	SUXCPIPBTAYNQX-HNNXBMFYSA-N	1	0	360.462	1.638	20	30		FDEDRO
C[C@@H]1c2nncn2CCN1C(=O)NC1CC[NH+](Cc2ccncc2)CC1	ZINC000330046116	825609533	/nfs/dbraw/zinc/60/95/33/825609533.db2.gz	GSKUWFNCILHQFK-CQSZACIVSA-N	1	0	355.446	1.628	20	30		FDEDRO
CCc1cc(N2CCC(NC(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)ncn1	ZINC000330093396	825634184	/nfs/dbraw/zinc/63/41/84/825634184.db2.gz	ZSZBKWJYUQMHQA-RHSMWYFYSA-N	1	0	360.506	1.994	20	30		FDEDRO
COc1ccc([C@H]2OCC[C@@H]2NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cn1	ZINC000330196830	825725448	/nfs/dbraw/zinc/72/54/48/825725448.db2.gz	QXYGBRWXLFCJRP-KVSKMBFKSA-N	1	0	360.458	1.862	20	30		FDEDRO
C[C@@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)c1nnc2n1CCC2	ZINC000330203565	825732231	/nfs/dbraw/zinc/73/22/31/825732231.db2.gz	AWWCTHGPTPBPHR-UONOGXRCSA-N	1	0	362.478	1.384	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CCN4CCCC4=O)CC[C@@H]3C2)cc1	ZINC001088062161	825753406	/nfs/dbraw/zinc/75/34/06/825753406.db2.gz	RFGNQIHCAQPJSC-UXHICEINSA-N	1	0	365.477	1.684	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1CCCn2ccnc21	ZINC000330242319	825762698	/nfs/dbraw/zinc/76/26/98/825762698.db2.gz	GDSYHSMRNNSCGM-CVEARBPZSA-N	1	0	361.490	1.860	20	30		FDEDRO
C=C(Cl)CN1C[C@@H]2CN(C(=O)C(C)(C)NC(=O)NCC)C[C@]2(C)C1	ZINC001101381192	825765511	/nfs/dbraw/zinc/76/55/11/825765511.db2.gz	FGFWQIQMHOBOTD-DYVFJYSZSA-N	1	0	356.898	1.617	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCc2cc[nH]c(=O)c2C1	ZINC000330261353	825777890	/nfs/dbraw/zinc/77/78/90/825777890.db2.gz	OZQWJUCACZWOPX-SJORKVTESA-N	1	0	360.458	1.437	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC3CCOCC3)CC[C@@H]2C1	ZINC001088066752	825802529	/nfs/dbraw/zinc/80/25/29/825802529.db2.gz	XWVYZZHZAKDWFV-CVEARBPZSA-N	1	0	363.502	1.274	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1	ZINC000280877156	825804308	/nfs/dbraw/zinc/80/43/08/825804308.db2.gz	LRAITTSYRXFNGO-YLJYHZDGSA-N	1	0	367.497	1.630	20	30		FDEDRO
CN(C(=O)[C@@H]1CC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1)c1ccccc1	ZINC000281144906	825891975	/nfs/dbraw/zinc/89/19/75/825891975.db2.gz	PAMWTHBPMKQCIZ-QRWLVFNGSA-N	1	0	354.454	1.780	20	30		FDEDRO
CNC(=O)[C@]1(C)CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1	ZINC000281308936	825929065	/nfs/dbraw/zinc/92/90/65/825929065.db2.gz	XNMYZWZHLKDKSD-AUUYWEPGSA-N	1	0	360.433	1.919	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)cc1	ZINC000281312683	825929770	/nfs/dbraw/zinc/92/97/70/825929770.db2.gz	AFCMURLDZRIQHP-UHFFFAOYSA-N	1	0	372.469	1.485	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C3CCN(CC(F)F)CC3)C[C@@H]2C1	ZINC001088082540	826190586	/nfs/dbraw/zinc/19/05/86/826190586.db2.gz	WNFQVWJWAGAHSD-SJORKVTESA-N	1	0	353.457	1.767	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC(=C)C)NC(C)=O)C[C@H]1C(F)(F)F	ZINC001112175191	826226810	/nfs/dbraw/zinc/22/68/10/826226810.db2.gz	PAMPANATXMPPBT-RBSFLKMASA-N	1	0	359.392	1.460	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@]2(C)C1	ZINC001101386862	826363531	/nfs/dbraw/zinc/36/35/31/826363531.db2.gz	CNYNQZFKJWSLQT-PBHICJAKSA-N	1	0	357.520	1.061	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3CCN(CC(=O)Nc4cnccn4)C[C@H]3C2)C1	ZINC001088098430	826391651	/nfs/dbraw/zinc/39/16/51/826391651.db2.gz	IYGSROKJWMSKAX-CVEARBPZSA-N	1	0	369.469	1.552	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCN(CC)C4=O)CC[C@@H]3C2)c1	ZINC001088100139	826397170	/nfs/dbraw/zinc/39/71/70/826397170.db2.gz	VUAHNVACRZHHJD-NZSAHSFTSA-N	1	0	366.465	1.078	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3c4n(c(=O)n3C)CCCC4)C[C@@H]2C1	ZINC001088107390	826422263	/nfs/dbraw/zinc/42/22/63/826422263.db2.gz	VMAZZPRGROSEFD-CVEARBPZSA-N	1	0	358.486	1.493	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3c(=O)[nH]c4ccccc43)C[C@@H]2C1	ZINC001088120766	826495946	/nfs/dbraw/zinc/49/59/46/826495946.db2.gz	WESQOXVPFCNRRY-CVEARBPZSA-N	1	0	352.438	1.546	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](CC[C@H]4CCOC4)CC[C@@H]3C2)nn1	ZINC001088133686	826574499	/nfs/dbraw/zinc/57/44/99/826574499.db2.gz	VRMUDYMQCHWQOY-BBWFWOEESA-N	1	0	359.474	1.285	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(S(C)(=O)=O)CCCC3)C[C@@H]2C1	ZINC001088137728	826618911	/nfs/dbraw/zinc/61/89/11/826618911.db2.gz	BFZOUFYECFQLTC-CVEARBPZSA-N	1	0	354.516	1.700	20	30		FDEDRO
Cn1ncc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)s4)CC[C@@H]3C2)n1	ZINC001088139507	826640993	/nfs/dbraw/zinc/64/09/93/826640993.db2.gz	PHAKCJYLKPWIOO-OLZOCXBDSA-N	1	0	356.455	1.342	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C	ZINC000987464929	833097689	/nfs/dbraw/zinc/09/76/89/833097689.db2.gz	QXSBPUYMSBBPKY-MNEFBYGVSA-N	1	0	353.466	1.410	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)[C@H]2C)cc1	ZINC000987468996	833109904	/nfs/dbraw/zinc/10/99/04/833109904.db2.gz	PTZKGWNPZGQWOL-AYOQOUSVSA-N	1	0	369.465	1.512	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CCN1C(=O)[C@@H](C)C#N	ZINC000985198949	826853466	/nfs/dbraw/zinc/85/34/66/826853466.db2.gz	FTRZOAYCAQXMSF-JLJPHGGASA-N	1	0	366.425	1.536	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(NC(C)=O)CCCC2)C[C@H]1C(F)(F)F	ZINC001112178115	826918416	/nfs/dbraw/zinc/91/84/16/826918416.db2.gz	SULJFMGTCQLCPP-ZIAGYGMSSA-N	1	0	359.392	1.438	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCCS(C)(=O)=O)C[C@H]1C(F)(F)F	ZINC001112178111	826918480	/nfs/dbraw/zinc/91/84/80/826918480.db2.gz	SLYHYDYGHJJDIT-VXGBXAGGSA-N	1	0	356.410	1.366	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn([C@H]4CCOC4)nn3)C[C@@H]2C1	ZINC001088164139	826938039	/nfs/dbraw/zinc/93/80/39/826938039.db2.gz	WTMWTKBPHYWCHQ-IKGGRYGDSA-N	1	0	359.474	1.600	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(N4CCCC4)nn3)C[C@@H]2C1	ZINC001088166239	826946951	/nfs/dbraw/zinc/94/69/51/826946951.db2.gz	QLXCXVWTUADBNQ-SJORKVTESA-N	1	0	353.470	1.494	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cc(Br)c(C)nc2OC)CC1	ZINC000928652691	826982437	/nfs/dbraw/zinc/98/24/37/826982437.db2.gz	ITYMXZFECNPOAH-UHFFFAOYSA-N	1	0	366.259	1.989	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c(c3)C(=O)NC4=O)C[C@@H]2C1	ZINC001088174777	827222638	/nfs/dbraw/zinc/22/26/38/827222638.db2.gz	OPXLYCUBESCINF-CVEARBPZSA-N	1	0	367.449	1.930	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@@H]2C1	ZINC001088176792	827272479	/nfs/dbraw/zinc/27/24/79/827272479.db2.gz	PIKRPTAPWQQYHN-SQNIBIBYSA-N	1	0	352.438	1.117	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@]3(C)CCS(=O)(=O)N3)C[C@@H]2C1	ZINC001088183483	827305529	/nfs/dbraw/zinc/30/55/29/827305529.db2.gz	ITCMRYRSMCDRRK-RYRKJORJSA-N	1	0	369.531	1.205	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C)nc4cc(C)nn43)C[C@@H]2C1	ZINC001088205438	827479451	/nfs/dbraw/zinc/47/94/51/827479451.db2.gz	VCUSYETTWMVXSV-SJORKVTESA-N	1	0	351.454	1.763	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C3CCN(C(=O)CCC)CC3)C[C@@H]2C1	ZINC001088209159	827503817	/nfs/dbraw/zinc/50/38/17/827503817.db2.gz	JRXIIVVHDGONPP-MOPGFXCFSA-N	1	0	359.514	1.829	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c(C)nn(C)c4n3)C[C@@H]2C1	ZINC001088213283	827509166	/nfs/dbraw/zinc/50/91/66/827509166.db2.gz	ULUWHVRFHZOEES-CVEARBPZSA-N	1	0	351.454	1.694	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1	ZINC001088234824	827600508	/nfs/dbraw/zinc/60/05/08/827600508.db2.gz	CSTZGUKAHMVCOV-WDSOQIARSA-N	1	0	364.486	1.143	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCCOC2)C[C@H]1C(F)(F)F	ZINC001112184933	827854462	/nfs/dbraw/zinc/85/44/62/827854462.db2.gz	LVJDAYJJJJVERN-IIAWOOMASA-N	1	0	362.392	1.432	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C2(C(=O)N(C)C(C)C)CC2)C[C@H]1C(F)(F)F	ZINC001112185009	827873724	/nfs/dbraw/zinc/87/37/24/827873724.db2.gz	PCORJUMUTIIKNH-CHWSQXEVSA-N	1	0	361.408	1.798	20	30		FDEDRO
C[N@@H+](Cc1ccc(OCC#N)cc1)C[C@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1	ZINC001029745735	827974822	/nfs/dbraw/zinc/97/48/22/827974822.db2.gz	VAOFZRMYYXPUET-LQWHRVPQSA-N	1	0	369.465	1.906	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC000985496467	828034779	/nfs/dbraw/zinc/03/47/79/828034779.db2.gz	YWZNBOZOWNIMFQ-RRQGHBQHSA-N	1	0	357.458	1.480	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CCN1C(=O)[C@@H](C)C#N	ZINC000985535504	828122193	/nfs/dbraw/zinc/12/21/93/828122193.db2.gz	LMXHSXBWRQPVDZ-JCGIZDLHSA-N	1	0	360.502	1.764	20	30		FDEDRO
COc1cc(C[NH+]2C[C@@H](O)[C@H](O)C2)ccc1OCc1cccc(C#N)c1	ZINC000444695544	828175880	/nfs/dbraw/zinc/17/58/80/828175880.db2.gz	FQIJKKHAEVMRJS-QZTJIDSGSA-N	1	0	354.406	1.683	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2snnc2C)CC1	ZINC000985661976	828861984	/nfs/dbraw/zinc/86/19/84/828861984.db2.gz	RARBXTZYLTUTCT-CABCVRRESA-N	1	0	350.488	1.860	20	30		FDEDRO
O=C(C[NH2+][C@H](CO)[C@H]1CCCO1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000447905911	828932608	/nfs/dbraw/zinc/93/26/08/828932608.db2.gz	VYWPKTABMKIAKP-HZPDHXFCSA-N	1	0	370.371	1.303	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cc(C)nn1CCC#N	ZINC000527147742	828970856	/nfs/dbraw/zinc/97/08/56/828970856.db2.gz	JKJDTPNTEQNQTP-CABCVRRESA-N	1	0	358.446	1.129	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N(C)[C@@H]3CC[N@@H+](C4CC4)C3)CC2)o1	ZINC000527244947	829001531	/nfs/dbraw/zinc/00/15/31/829001531.db2.gz	VGVGCJUNEDKOBJ-MRXNPFEDSA-N	1	0	357.458	1.766	20	30		FDEDRO
C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000448322270	829089635	/nfs/dbraw/zinc/08/96/35/829089635.db2.gz	RDZQCEXCXQTZQZ-AWEZNQCLSA-N	1	0	374.489	1.685	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H]3CC[N@@H+](C(C)C)C3)CC2)o1	ZINC000527530497	829096405	/nfs/dbraw/zinc/09/64/05/829096405.db2.gz	DSCYOKWKQKJHMO-OAHLLOKOSA-N	1	0	359.474	1.918	20	30		FDEDRO
Cc1c([C@@H]2C[N@H+](Cn3nc(C#N)c4ccccc43)C[C@H]2C(N)=O)cnn1C	ZINC000527565067	829103714	/nfs/dbraw/zinc/10/37/14/829103714.db2.gz	HWTKIDKLRBHSTQ-JKSUJKDBSA-N	1	0	363.425	1.108	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C(=O)NC)cc1	ZINC001168101875	829239443	/nfs/dbraw/zinc/23/94/43/829239443.db2.gz	YUQAVMPLGHDMSY-ROUUACIJSA-N	1	0	359.470	1.623	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC[C@]2(CO)COCC3(CCC3)N2C)nc1	ZINC000528131783	829272550	/nfs/dbraw/zinc/27/25/50/829272550.db2.gz	LJBFGIBCLWXMEF-IBGZPJMESA-N	1	0	360.458	1.025	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C[C@H](O)COc1ccccc1C#N	ZINC000528427443	829399737	/nfs/dbraw/zinc/39/97/37/829399737.db2.gz	YXEYJACGXIBBRH-RMJJICAUSA-N	1	0	359.470	1.481	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]Cc1cc(CO)ccc1F	ZINC001168109699	829524941	/nfs/dbraw/zinc/52/49/41/829524941.db2.gz	FCPSRTFSADCYDC-WMZOPIPTSA-N	1	0	350.434	1.895	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)Nc1ccc(O)cc1	ZINC001168109491	829526644	/nfs/dbraw/zinc/52/66/44/829526644.db2.gz	AASQMIAUKBYVMB-WMZOPIPTSA-N	1	0	361.442	1.408	20	30		FDEDRO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1	ZINC000528752247	829549173	/nfs/dbraw/zinc/54/91/73/829549173.db2.gz	ONFIIHSLJQKFIT-URVUZCHPSA-N	1	0	365.518	1.619	20	30		FDEDRO
C[C@]1(CO)C[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@]1(C)CO	ZINC000528755434	829550339	/nfs/dbraw/zinc/55/03/39/829550339.db2.gz	SFCNBZLMMFCTLQ-RLLQIKCJSA-N	1	0	357.454	1.366	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccc(S(=O)(=O)NCC=C)cc1	ZINC000729808683	837427240	/nfs/dbraw/zinc/42/72/40/837427240.db2.gz	FAZBSYNUCUJPBI-INIZCTEOSA-N	1	0	362.451	1.405	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)[C@@H]([NH2+]C(C)C)c1ccc(OC)cc1	ZINC000897364640	830508082	/nfs/dbraw/zinc/50/80/82/830508082.db2.gz	FSFUSEIUTDLZGA-INIZCTEOSA-N	1	0	354.472	1.451	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](C(=O)NC[C@@H]3CCC[N@H+]3CCCO)C2)c(F)c1	ZINC000452361916	830633697	/nfs/dbraw/zinc/63/36/97/830633697.db2.gz	KKRFYFKKXSNZBR-IRXDYDNUSA-N	1	0	374.460	1.487	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCCN1CC[NH2+]CC1	ZINC000418293056	830680175	/nfs/dbraw/zinc/68/01/75/830680175.db2.gz	ZJHMJLDMYYESEY-UHFFFAOYSA-N	1	0	361.446	1.588	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)cc(C#N)c2)C1	ZINC000453705728	831028448	/nfs/dbraw/zinc/02/84/48/831028448.db2.gz	YHYGFYDDLAFPTM-GOSISDBHSA-N	1	0	372.469	1.765	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]2C1	ZINC000986251118	831377771	/nfs/dbraw/zinc/37/77/71/831377771.db2.gz	ZIYVOZPABNDYNI-CEXWTWQISA-N	1	0	357.498	1.581	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]2C1	ZINC000986396855	831614443	/nfs/dbraw/zinc/61/44/43/831614443.db2.gz	FMPNRZJXDKJWHM-LZQZEXGQSA-N	1	0	368.481	1.828	20	30		FDEDRO
[NH2+]=C(NCCN1C(=O)c2ccccc2C1=O)N[C@H]1CCOc2ccccc21	ZINC000262425041	837582990	/nfs/dbraw/zinc/58/29/90/837582990.db2.gz	BBUKFZGSEGVIEZ-INIZCTEOSA-N	1	0	364.405	1.711	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)C[N@@H+](C)CCC)C1	ZINC001059729476	831953925	/nfs/dbraw/zinc/95/39/25/831953925.db2.gz	URWXTZSAJSCTIL-KURKYZTESA-N	1	0	365.518	1.664	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@@H]2C1	ZINC000986595520	832016542	/nfs/dbraw/zinc/01/65/42/832016542.db2.gz	XBILTRXVRAMHRW-IMJJTQAJSA-N	1	0	351.410	1.414	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)[C@H]2CCNC2=O)CC1	ZINC001030001036	832357391	/nfs/dbraw/zinc/35/73/91/832357391.db2.gz	DNLHXQQYJDUBNB-BZSNNMDCSA-N	1	0	363.502	1.417	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2CCCCCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000986966272	832361964	/nfs/dbraw/zinc/36/19/64/832361964.db2.gz	GGJYWWWLQNOMSB-DJIMGWMZSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H]2CCCOC2)C1	ZINC001112216380	832378351	/nfs/dbraw/zinc/37/83/51/832378351.db2.gz	ZMHOAINYXCHKEF-RBSFLKMASA-N	1	0	364.408	1.985	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1	ZINC000453937101	832386120	/nfs/dbraw/zinc/38/61/20/832386120.db2.gz	DHXCXNBIPKDWNO-SJORKVTESA-N	1	0	361.442	1.415	20	30		FDEDRO
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCCNc1ncccc1C#N	ZINC000729602702	832390400	/nfs/dbraw/zinc/39/04/00/832390400.db2.gz	CPPDVDNIVCUWNL-UHFFFAOYSA-N	1	0	373.505	1.033	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CCCCCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000987011214	832419956	/nfs/dbraw/zinc/41/99/56/832419956.db2.gz	UANVSHMYKMMANB-UWWQBHOKSA-N	1	0	371.485	1.728	20	30		FDEDRO
CNC(=O)c1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C)cc1	ZINC001088528489	832456365	/nfs/dbraw/zinc/45/63/65/832456365.db2.gz	DCQHIJWYEDTKPD-DYVFJYSZSA-N	1	0	365.437	1.639	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000987050340	832498801	/nfs/dbraw/zinc/49/88/01/832498801.db2.gz	PATCTZGPWKLALH-DJIMGWMZSA-N	1	0	371.485	1.728	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000987051992	832502506	/nfs/dbraw/zinc/50/25/06/832502506.db2.gz	WTAUVRJDYTZQGJ-UWWQBHOKSA-N	1	0	371.485	1.728	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cnn(C)c2N)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088538444	832526405	/nfs/dbraw/zinc/52/64/05/832526405.db2.gz	ZIBDSFKJHMGWRR-DYVFJYSZSA-N	1	0	368.441	1.297	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc(=O)n(C)o2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088543110	832563089	/nfs/dbraw/zinc/56/30/89/832563089.db2.gz	KYFPXZWSZFETAG-CJNGLKHVSA-N	1	0	370.409	1.273	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3ccccc3)[C@H]2C)CC1	ZINC000987247044	832692956	/nfs/dbraw/zinc/69/29/56/832692956.db2.gz	NKVZWDBSYLPCPR-APWZRJJASA-N	1	0	353.466	1.751	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)Cc3ccoc3)[C@H]2C)CC1	ZINC000987713074	833591236	/nfs/dbraw/zinc/59/12/36/833591236.db2.gz	JZHZGAPULQOOFH-QAPCUYQASA-N	1	0	357.454	1.273	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@H]3C[C@@H]3C(F)F)[C@H]2C)CC1	ZINC000987796527	833662266	/nfs/dbraw/zinc/66/22/66/833662266.db2.gz	ASJQLLFNFIGOJY-OEAJRASXSA-N	1	0	367.440	1.338	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CN(C)C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000988034245	833907206	/nfs/dbraw/zinc/90/72/06/833907206.db2.gz	ZZEXSYXPQMUXRV-UWWQBHOKSA-N	1	0	371.485	1.537	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000988037644	833913727	/nfs/dbraw/zinc/91/37/27/833913727.db2.gz	RSXILGURZGAPIX-YVWKXTFCSA-N	1	0	367.493	1.929	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C)cc1	ZINC000988068017	833991373	/nfs/dbraw/zinc/99/13/73/833991373.db2.gz	RLTFMIKXGVSXAN-SUMDDJOVSA-N	1	0	369.465	1.370	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000988166830	834173481	/nfs/dbraw/zinc/17/34/81/834173481.db2.gz	JUDOSMDEVZDSSG-ZBFHGGJFSA-N	1	0	371.485	1.870	20	30		FDEDRO
N#Cc1ccc(-c2noc([C@@]34C[NH2+]C[C@@H]3CN(c3ccccc3)C4)n2)nc1	ZINC001211920637	834892294	/nfs/dbraw/zinc/89/22/94/834892294.db2.gz	YELWTGIIEYVBLW-FOIQADDNSA-N	1	0	358.405	1.981	20	30		FDEDRO
C[C@H]1CC[N@H+](CCNC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)C1	ZINC000897472176	834951621	/nfs/dbraw/zinc/95/16/21/834951621.db2.gz	PRHMQGQGKRQUBQ-RDJZCZTQSA-N	1	0	356.474	1.881	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000454451544	835499507	/nfs/dbraw/zinc/49/95/07/835499507.db2.gz	OWHIDTWTMVDXMZ-SJORKVTESA-N	1	0	374.489	1.022	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C)C1	ZINC000988533200	835799907	/nfs/dbraw/zinc/79/99/07/835799907.db2.gz	WGFLSZCUMOFPIZ-PVAVHDDUSA-N	1	0	371.485	1.583	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2c(C)noc2C)C[C@H]1OC	ZINC001211992546	835978132	/nfs/dbraw/zinc/97/81/32/835978132.db2.gz	RGGMFTLSSGJEND-USXIJHARSA-N	1	0	351.447	1.588	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1C	ZINC000988628445	836300410	/nfs/dbraw/zinc/30/04/10/836300410.db2.gz	IZLKNKMGHVMKBY-WBVHZDCISA-N	1	0	358.486	1.878	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](CCCc2cccc(OC)c2)C[C@H]1OC	ZINC001212033093	836321312	/nfs/dbraw/zinc/32/13/12/836321312.db2.gz	CSENKJPMBDDIOI-RTBURBONSA-N	1	0	362.470	1.646	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](CCCCOc2ccccc2)C[C@H]1OC	ZINC001212034161	836325212	/nfs/dbraw/zinc/32/52/12/836325212.db2.gz	RXSGHZFYBLYILV-RTBURBONSA-N	1	0	362.470	1.864	20	30		FDEDRO
CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)c1nc(-c2ccc(C#N)cn2)no1	ZINC001212058193	836439767	/nfs/dbraw/zinc/43/97/67/836439767.db2.gz	BGFDOPJZQBOMDN-GJZGRUSLSA-N	1	0	354.414	1.959	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1	ZINC000988650580	836529481	/nfs/dbraw/zinc/52/94/81/836529481.db2.gz	NMLONKDDLGQHKT-KURKYZTESA-N	1	0	363.502	1.226	20	30		FDEDRO
C[N@H+](CCNC(=O)Nc1scc(C(C)(C)C)c1C#N)CCOCCO	ZINC000888227667	836882449	/nfs/dbraw/zinc/88/24/49/836882449.db2.gz	QXGQVCMTCCBBOV-UHFFFAOYSA-N	1	0	368.503	1.979	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1	ZINC000938028555	836992877	/nfs/dbraw/zinc/99/28/77/836992877.db2.gz	RSRQNEOSYVFDRT-ATIWLJMLSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=CCN1CCN(C)C2(CC[NH+]([C@@H]3Cc4ccc(OC)cc4C3)CC2)C1=O	ZINC001168272387	837076176	/nfs/dbraw/zinc/07/61/76/837076176.db2.gz	MDBXHNAURHPSSC-LJQANCHMSA-N	1	0	369.509	1.957	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1OC	ZINC001212092855	837108236	/nfs/dbraw/zinc/10/82/36/837108236.db2.gz	ULKNLVMNSFOMGE-HZPDHXFCSA-N	1	0	366.462	1.109	20	30		FDEDRO
C=CCc1cc(C(=O)N2CCNC[C@H]2c2nccn2C)cc(OC)c1OC	ZINC000261685305	837221686	/nfs/dbraw/zinc/22/16/86/837221686.db2.gz	HXKDEAZCKHBFDJ-INIZCTEOSA-N	1	0	370.453	1.953	20	30		FDEDRO
C=CCOCC(=O)OCC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1	ZINC000729764142	837235986	/nfs/dbraw/zinc/23/59/86/837235986.db2.gz	YWHXUONKCKPFDU-UHFFFAOYSA-N	1	0	361.442	1.513	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1	ZINC000989034671	838217056	/nfs/dbraw/zinc/21/70/56/838217056.db2.gz	WLINUDMYWTUQBW-YVSFHVDLSA-N	1	0	351.491	1.271	20	30		FDEDRO
C#CCCN1CCN([C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000272050318	838425509	/nfs/dbraw/zinc/42/55/09/838425509.db2.gz	UGAJXZOAUUNQEV-FPOVZHCZSA-N	1	0	368.525	1.407	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21	ZINC000272317868	838432918	/nfs/dbraw/zinc/43/29/18/838432918.db2.gz	KEGLZYPILRILBE-BBRMVZONSA-N	1	0	359.401	1.329	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cn(CC2(C)COC2)nn1)C(C)C	ZINC000273513071	838454626	/nfs/dbraw/zinc/45/46/26/838454626.db2.gz	QFQCFTHEVFGFGP-KRWDZBQOSA-N	1	0	361.490	1.743	20	30		FDEDRO
Cn1nccc1[C@H](CO)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000459765140	838941497	/nfs/dbraw/zinc/94/14/97/838941497.db2.gz	ZXLKCFLEJBYLRW-AWEZNQCLSA-N	1	0	373.482	1.884	20	30		FDEDRO
C#CCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1OC[C@@H]3CCC[C@@H]31)CCO2	ZINC001105474932	839017698	/nfs/dbraw/zinc/01/76/98/839017698.db2.gz	SXYXOLCOQJCJKK-LIXPZXCDSA-N	1	0	360.498	1.955	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCN(C[C@@H](C)O)[C@@H](CC)C1	ZINC000459992942	839186302	/nfs/dbraw/zinc/18/63/02/839186302.db2.gz	JKXHHLTUYKZBSQ-MJGOQNOKSA-N	1	0	373.497	1.505	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC(C[NH+](C)C)CC1	ZINC000460064572	839277045	/nfs/dbraw/zinc/27/70/45/839277045.db2.gz	NDONZFNLAAIASW-UHFFFAOYSA-N	1	0	368.481	1.873	20	30		FDEDRO
COCc1nn(C)cc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C	ZINC001088677109	839588699	/nfs/dbraw/zinc/58/86/99/839588699.db2.gz	YASSHWXPNOGIMX-KDOFPFPSSA-N	1	0	367.453	1.831	20	30		FDEDRO
N#CCCNS(=O)(=O)c1ccc(C(=O)OCC[NH+]2CCCCC2)cc1	ZINC000760373828	839909059	/nfs/dbraw/zinc/90/90/59/839909059.db2.gz	YAFQHRSESUVZNE-UHFFFAOYSA-N	1	0	365.455	1.521	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105588021	840034650	/nfs/dbraw/zinc/03/46/50/840034650.db2.gz	QBUGWJRYGUERLL-OHDICMOHSA-N	1	0	351.491	1.055	20	30		FDEDRO
C=CCCn1cc(C[NH2+]C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)nn1	ZINC000897695331	840238587	/nfs/dbraw/zinc/23/85/87/840238587.db2.gz	FLKITBYDBZLJOS-QGZVFWFLSA-N	1	0	351.451	1.316	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105594018	840387483	/nfs/dbraw/zinc/38/74/83/840387483.db2.gz	KGTWMICORUVABI-JYBIWHBTSA-N	1	0	360.502	1.815	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1	ZINC000897836129	840484693	/nfs/dbraw/zinc/48/46/93/840484693.db2.gz	PNFJNGQYMJGUTQ-MOPGFXCFSA-N	1	0	355.482	1.975	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C)nc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105598242	840767286	/nfs/dbraw/zinc/76/72/86/840767286.db2.gz	MWYAXDSQSDORJC-WERVVEIQSA-N	1	0	355.482	1.993	20	30		FDEDRO
CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NCc2ccc(CC#N)cc2)CC1	ZINC000898099543	840809713	/nfs/dbraw/zinc/80/97/13/840809713.db2.gz	TXRYVFVOQGEZPA-UHFFFAOYSA-N	1	0	368.481	1.846	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCOC[C@H]1C(=[NH2+])NOCc1nc(C#N)cs1	ZINC000842038930	840855190	/nfs/dbraw/zinc/85/51/90/840855190.db2.gz	QHGAYUAKAGTVBK-NSHDSACASA-N	1	0	367.431	1.649	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(C)C(C)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105601061	841013536	/nfs/dbraw/zinc/01/35/36/841013536.db2.gz	RGWJZDAGLBRQOK-ZAWLATJESA-N	1	0	351.491	1.007	20	30		FDEDRO
CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CSCC#N)[C@H]2C(C)C)C[C@H]1O	ZINC001105601261	841029909	/nfs/dbraw/zinc/02/99/09/841029909.db2.gz	VJSJCYPMWSLRDG-XYVMCAHJSA-N	1	0	369.531	1.246	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnc(F)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105603584	841177265	/nfs/dbraw/zinc/17/72/65/841177265.db2.gz	MHILRAJGYGXUKY-ZTRFORPCSA-N	1	0	359.445	1.824	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCOCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105604707	841184831	/nfs/dbraw/zinc/18/48/31/841184831.db2.gz	WUDUZPQGRNCWBU-IZBJGVDFSA-N	1	0	350.503	1.793	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCC(=O)NCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105606140	841203593	/nfs/dbraw/zinc/20/35/93/841203593.db2.gz	AJKAXEQQHXLALO-YAJHFMINSA-N	1	0	365.518	1.445	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105606170	841204438	/nfs/dbraw/zinc/20/44/38/841204438.db2.gz	AOGAGZCJXGLCIA-JYBIWHBTSA-N	1	0	368.518	1.582	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CNC(=O)CCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105606560	841214408	/nfs/dbraw/zinc/21/44/08/841214408.db2.gz	FAKCAKBNYWYSAE-YKCBXCCJSA-N	1	0	365.518	1.445	20	30		FDEDRO
C=CCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccnn3C)C2)[C@@H]1C(C)C	ZINC001105606912	841217173	/nfs/dbraw/zinc/21/71/73/841217173.db2.gz	IMMKQQIPOFBSJA-IZBJGVDFSA-N	1	0	360.502	1.852	20	30		FDEDRO
C[NH+]=C(NCc1cnc(N(C)C)n1C)N1CCN(c2cccc(C)c2)CC1	ZINC000087325048	841598378	/nfs/dbraw/zinc/59/83/78/841598378.db2.gz	YGWXSISWOSOZGR-UHFFFAOYSA-N	1	0	369.517	1.692	20	30		FDEDRO
C=CCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000669058980	861242347	/nfs/dbraw/zinc/24/23/47/861242347.db2.gz	IFWATARDZGULRK-SFHVURJKSA-N	1	0	370.501	1.997	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105612218	841976577	/nfs/dbraw/zinc/97/65/77/841976577.db2.gz	YONOEAWDEIXTIA-HNBVOPMISA-N	1	0	368.518	1.582	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncc(F)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105618717	842233409	/nfs/dbraw/zinc/23/34/09/842233409.db2.gz	AGPZHXBAFNOEBH-FTEYMNFISA-N	1	0	359.445	1.824	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nccc(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105624301	842254336	/nfs/dbraw/zinc/25/43/36/842254336.db2.gz	YSCCBISDCZEPND-WWNBULGVSA-N	1	0	358.486	1.941	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(=O)n(C)o3)[C@H]2C(C)C)C[C@H]1O	ZINC001105626812	842258398	/nfs/dbraw/zinc/25/83/98/842258398.db2.gz	HWTKSDVLIZUPME-XNWVLMOPSA-N	1	0	363.458	1.134	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3nnc(C)o3)[C@H]2C(C)C)C[C@H]1O	ZINC001105628394	842261299	/nfs/dbraw/zinc/26/12/99/842261299.db2.gz	VFEYSFOOLUVOQQ-LTDCPUDJSA-N	1	0	362.474	1.463	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCOCC3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105631472	842265014	/nfs/dbraw/zinc/26/50/14/842265014.db2.gz	COFXSJUZDCCZKB-VURPSTOHSA-N	1	0	362.514	1.793	20	30		FDEDRO
Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1	ZINC000760551781	842270065	/nfs/dbraw/zinc/27/00/65/842270065.db2.gz	QPNLBCSLVFYWNJ-KRWDZBQOSA-N	1	0	365.441	1.619	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3(COC)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105632029	842279392	/nfs/dbraw/zinc/27/93/92/842279392.db2.gz	HZLWHKIRFWSLIW-ZJSJBZJDSA-N	1	0	362.514	1.793	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@H]1C(C)C	ZINC001105633059	842281619	/nfs/dbraw/zinc/28/16/19/842281619.db2.gz	PQOQNCNVRTYEEN-QQTQMKHKSA-N	1	0	363.502	1.206	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3(COC)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105633349	842282483	/nfs/dbraw/zinc/28/24/83/842282483.db2.gz	SINBJDQPTJHWRY-PLOVASNDSA-N	1	0	362.514	1.793	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(COC)CCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105642696	842319456	/nfs/dbraw/zinc/31/94/56/842319456.db2.gz	LFCTTXUFHSDVCQ-VIPLHTEESA-N	1	0	350.503	1.955	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(COC)CCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105643278	842334628	/nfs/dbraw/zinc/33/46/28/842334628.db2.gz	WCXDBKAPXYIZNJ-WIRSXHRWSA-N	1	0	362.514	1.793	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(C)(C)COC)[C@H]2C(C)C)C[C@H]1O	ZINC001105645590	842394460	/nfs/dbraw/zinc/39/44/60/842394460.db2.gz	BUPBXFYHMBBHNC-HBXLWWENSA-N	1	0	350.503	1.648	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCn3ccnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105647515	842413630	/nfs/dbraw/zinc/41/36/30/842413630.db2.gz	RQPOZCJCGNKWMM-HNBVOPMISA-N	1	0	358.486	1.263	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3=CCOCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105655880	842479374	/nfs/dbraw/zinc/47/93/74/842479374.db2.gz	LUIBBYOQRLSWCT-RMVXJAJNSA-N	1	0	360.498	1.713	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cnc[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105654992	842481386	/nfs/dbraw/zinc/48/13/86/842481386.db2.gz	COARBBRUWZZIEW-HNBVOPMISA-N	1	0	360.502	1.885	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3[nH]c(C)nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105655137	842482060	/nfs/dbraw/zinc/48/20/60/842482060.db2.gz	FRWTUJIYXTVQPY-ZTRFORPCSA-N	1	0	358.486	1.630	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105660377	842531719	/nfs/dbraw/zinc/53/17/19/842531719.db2.gz	UIOPKNUEDRSOCK-XCJLJZCSSA-N	1	0	355.482	1.993	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(Cc2cccc(OC)c2)C[C@@H]1O	ZINC001083470612	842633459	/nfs/dbraw/zinc/63/34/59/842633459.db2.gz	BUKXKYMWMWKVIB-YRXWBPOGSA-N	1	0	360.454	1.338	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CC#CC)C3)[C@@H]2C(C)C)nn1	ZINC001105661182	842669728	/nfs/dbraw/zinc/66/97/28/842669728.db2.gz	FVCNVOKKDNRXMA-LBKNJMOBSA-N	1	0	371.485	1.067	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000425875423	842792733	/nfs/dbraw/zinc/79/27/33/842792733.db2.gz	ABSNTVMXRZMZGA-BVBHFADKSA-N	1	0	371.481	1.330	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(=O)N(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105663533	842819112	/nfs/dbraw/zinc/81/91/12/842819112.db2.gz	UGVKQPMFEKLPGQ-OHDICMOHSA-N	1	0	351.491	1.007	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3cnccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105666697	843294016	/nfs/dbraw/zinc/29/40/16/843294016.db2.gz	IIHWPEVWURTPFB-UKAVVXHISA-N	1	0	370.497	1.399	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)NCC(C)(C)CCC#N)cn2)CC1	ZINC000477904351	843449260	/nfs/dbraw/zinc/44/92/60/843449260.db2.gz	DOPYVRBECJHQBL-UHFFFAOYSA-N	1	0	358.490	1.963	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088766397	843588074	/nfs/dbraw/zinc/58/80/74/843588074.db2.gz	LLWCULMMDIJQHQ-GIOXJEDJSA-N	1	0	369.465	1.689	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nc(C)oc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105667607	843660775	/nfs/dbraw/zinc/66/07/75/843660775.db2.gz	SFZDPCUUHCOHES-HBXLWWENSA-N	1	0	359.470	1.894	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC(N2C[C@H]([NH2+][C@@H]3CCC[C@@H](C#N)C3)CC2=O)C1	ZINC000898528057	844818428	/nfs/dbraw/zinc/81/84/28/844818428.db2.gz	FNYAKCKNGFWAQS-RBSFLKMASA-N	1	0	362.474	1.879	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](c3n[nH]cc3C(=O)OCC)C2)CC1	ZINC000898761135	845158891	/nfs/dbraw/zinc/15/88/91/845158891.db2.gz	GMEMIERHACDWKM-HNNXBMFYSA-N	1	0	358.442	1.248	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCC(N)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105674565	845500447	/nfs/dbraw/zinc/50/04/47/845500447.db2.gz	ZMCSVITWEUIDKI-DTTOXWODSA-N	1	0	371.909	1.361	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCCOCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105674961	845624034	/nfs/dbraw/zinc/62/40/34/845624034.db2.gz	JZLWYBYUMINUFN-LFGUQSLTSA-N	1	0	368.518	1.582	20	30		FDEDRO
C#CCN1C(=O)C[C@H](N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)C1=O	ZINC000899246388	845991854	/nfs/dbraw/zinc/99/18/54/845991854.db2.gz	FMXJDDAUYZOZDX-IBGZPJMESA-N	1	0	365.477	1.834	20	30		FDEDRO
C=C[C@H](O)C(=O)Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1	ZINC000667938874	846859140	/nfs/dbraw/zinc/85/91/40/846859140.db2.gz	SXKVXTZQCKCABR-FQEVSTJZSA-N	1	0	366.465	1.932	20	30		FDEDRO
Cc1cc(C#N)nc(NC[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001060100791	847342334	/nfs/dbraw/zinc/34/23/34/847342334.db2.gz	HEWOTILMZKAVHM-BFYDXBDKSA-N	1	0	356.474	1.647	20	30		FDEDRO
CN1C(=O)CC[C@@H]1CC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001076122297	847343145	/nfs/dbraw/zinc/34/31/45/847343145.db2.gz	TZELGCKZXATEIC-IPMKNSEASA-N	1	0	366.465	1.602	20	30		FDEDRO
CN1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1=O	ZINC001076151115	847396429	/nfs/dbraw/zinc/39/64/29/847396429.db2.gz	IIQKFLOQCNGSIC-OKZBNKHCSA-N	1	0	352.438	1.069	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4conc4CC)[C@@H]3C2)C1=O	ZINC001076217285	847570317	/nfs/dbraw/zinc/57/03/17/847570317.db2.gz	MUWHJWWGLDBOGC-IAOVAPTHSA-N	1	0	358.442	1.170	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ocnc4CC)[C@@H]3C2)C1=O	ZINC001076222091	847588281	/nfs/dbraw/zinc/58/82/81/847588281.db2.gz	MSZGFQLHNLONKC-CWRNSKLLSA-N	1	0	358.442	1.170	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccnc(OC)c3)C[C@H]21	ZINC001076262755	847720246	/nfs/dbraw/zinc/72/02/46/847720246.db2.gz	VOOPCGYUJWDTBJ-MLHJIOFPSA-N	1	0	357.454	1.714	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H]3CCN(C(=O)C[C@@H]4CCC(=O)N4)[C@@H]3C2)c(F)c1	ZINC001076354662	847928587	/nfs/dbraw/zinc/92/85/87/847928587.db2.gz	FVVSLAMCXXFJDU-XYJFISCASA-N	1	0	370.428	1.399	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](C[C@@H]4CCNC(=O)CC4)C[C@H]32)cn1	ZINC001076477275	848243984	/nfs/dbraw/zinc/24/39/84/848243984.db2.gz	XTSWQFXNTSMJBU-VDZJLULYSA-N	1	0	366.465	1.126	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](C[C@H]4CCNC(=O)CC4)C[C@H]32)cn1	ZINC001076477274	848244150	/nfs/dbraw/zinc/24/41/50/848244150.db2.gz	XTSWQFXNTSMJBU-HHXXYDBFSA-N	1	0	366.465	1.126	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CC1CC[NH+](C)CC1	ZINC001076490302	848268800	/nfs/dbraw/zinc/26/88/00/848268800.db2.gz	FZZWVOZNGVPRJT-JQHSSLGASA-N	1	0	365.518	1.711	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)Cn4ccccc4=O)[C@@H]3C2)cc1	ZINC001076554148	848397448	/nfs/dbraw/zinc/39/74/48/848397448.db2.gz	GZNOQDTUOLYXIL-RBUKOAKNSA-N	1	0	362.433	1.453	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4ccc(C)nc4)[C@@H]3C2)C1=O	ZINC001076576616	848497997	/nfs/dbraw/zinc/49/79/97/848497997.db2.gz	SKJYZJJZLQBBPE-IPMKNSEASA-N	1	0	368.481	1.252	20	30		FDEDRO
CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1)c1ccccc1	ZINC001076907122	849301310	/nfs/dbraw/zinc/30/13/10/849301310.db2.gz	BKGNITYUSCDLEJ-KZNAEPCWSA-N	1	0	354.410	1.049	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@H]1O	ZINC001077138528	849870481	/nfs/dbraw/zinc/87/04/81/849870481.db2.gz	IOVQDPXKKCJSJC-NZSAHSFTSA-N	1	0	361.486	1.390	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O	ZINC001077138526	849870850	/nfs/dbraw/zinc/87/08/50/849870850.db2.gz	IOVQDPXKKCJSJC-BHIYHBOVSA-N	1	0	361.486	1.390	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C(C)C)cc2)C[C@H]1O	ZINC001077158405	849952316	/nfs/dbraw/zinc/95/23/16/849952316.db2.gz	CZDQIVXKSMYJJU-QHAWAJNXSA-N	1	0	369.509	1.569	20	30		FDEDRO
C=CCCC[C@@H]1NC(=O)N(Cc2ccnc(N3CC[NH+](C)CC3)c2)C1=O	ZINC000904142557	850987951	/nfs/dbraw/zinc/98/79/51/850987951.db2.gz	XOSICLXRPVGTDR-INIZCTEOSA-N	1	0	357.458	1.610	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC(C)(C)CN2C(=O)C#CC2CC2)CC[N@@H+]1C	ZINC000991045914	851078994	/nfs/dbraw/zinc/07/89/94/851078994.db2.gz	PWBBHSSGWMHSNN-BPQIPLTHSA-N	1	0	359.514	1.873	20	30		FDEDRO
N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc(=O)n(Cc2cccc(F)c2)c1	ZINC000904608401	851309763	/nfs/dbraw/zinc/30/97/63/851309763.db2.gz	YPWGCHSGFGVKLY-BBRMVZONSA-N	1	0	355.373	1.269	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N1CCC(C[NH3+])(c2ccccc2)CC1	ZINC000904953771	851547060	/nfs/dbraw/zinc/54/70/60/851547060.db2.gz	VAZPKEWVIAODBW-UHFFFAOYSA-N	1	0	359.470	1.167	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N(CCC[NH3+])Cc1ccccc1	ZINC000904958636	851553029	/nfs/dbraw/zinc/55/30/29/851553029.db2.gz	IVUWLHXPPOZQSH-UHFFFAOYSA-N	1	0	370.478	1.956	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1	ZINC000904986018	851586443	/nfs/dbraw/zinc/58/64/43/851586443.db2.gz	HIYZIDCEFOPTBR-CVEARBPZSA-N	1	0	374.510	1.816	20	30		FDEDRO
C=CCc1cc(C[NH2+]C[C@H](O)C2(O)CCOCC2)cc(OC)c1OC	ZINC000905079391	851631518	/nfs/dbraw/zinc/63/15/18/851631518.db2.gz	HGORMESNAYKJDS-KRWDZBQOSA-N	1	0	351.443	1.424	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([NH2+]C[C@H](O)CC3(O)CCCC3)C2=O)cc1	ZINC000905204507	851747721	/nfs/dbraw/zinc/74/77/21/851747721.db2.gz	VSMUPSSLGIQYPO-QZTJIDSGSA-N	1	0	357.454	1.699	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCCC1(C#N)CCOCC1	ZINC000282088600	851882995	/nfs/dbraw/zinc/88/29/95/851882995.db2.gz	VCIIYFXHQMBDDS-INIZCTEOSA-N	1	0	354.458	1.959	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1	ZINC000913516700	862298468	/nfs/dbraw/zinc/29/84/68/862298468.db2.gz	AVWWNQISPWHVPF-OAHLLOKOSA-N	1	0	360.433	1.751	20	30		FDEDRO
COc1ccc(CSCC(=O)NCC#CC[NH+](C)C)cc1[N+](=O)[O-]	ZINC000913516392	862298811	/nfs/dbraw/zinc/29/88/11/862298811.db2.gz	NXYSNTFHMXJWKK-UHFFFAOYSA-N	1	0	351.428	1.518	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1	ZINC000913516856	862299575	/nfs/dbraw/zinc/29/95/75/862299575.db2.gz	JLRNTFXOAUGXIK-QGZVFWFLSA-N	1	0	359.445	1.288	20	30		FDEDRO
CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)NCC#CC[NH+](C)C	ZINC000913522588	862306418	/nfs/dbraw/zinc/30/64/18/862306418.db2.gz	QAVMKCGJHRNBOS-CQSZACIVSA-N	1	0	355.891	1.837	20	30		FDEDRO
CC(=O)c1cccc(OCc2cc(C(=O)NCC#CC[NH+](C)C)no2)c1	ZINC000913520391	862304751	/nfs/dbraw/zinc/30/47/51/862304751.db2.gz	OIDDSKIZGALZCB-UHFFFAOYSA-N	1	0	355.394	1.751	20	30		FDEDRO
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C[C@@H](O)CC1(C#N)CCOCC1	ZINC000905503796	851976538	/nfs/dbraw/zinc/97/65/38/851976538.db2.gz	BLHWVPOIOCAEET-OWCLPIDISA-N	1	0	367.490	1.903	20	30		FDEDRO
CS(=O)(=O)C1CCC(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000905507301	851980289	/nfs/dbraw/zinc/98/02/89/851980289.db2.gz	CIEDSNYYCDXNRR-PQUAAJSLSA-N	1	0	366.483	1.491	20	30		FDEDRO
COC(=O)[C@H](C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)Cc1ccccc1	ZINC000905528939	852022543	/nfs/dbraw/zinc/02/25/43/852022543.db2.gz	KVQZEROZGNNBEP-ROUUACIJSA-N	1	0	360.454	1.679	20	30		FDEDRO
C[NH+](C)CC[C@H](NC[C@H](O)COc1ccc(C#N)cc1)c1cccnc1	ZINC000905555783	852031907	/nfs/dbraw/zinc/03/19/07/852031907.db2.gz	GEJNYKAJGIWLIO-ICSRJNTNSA-N	1	0	354.454	1.976	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1	ZINC000668510859	852500704	/nfs/dbraw/zinc/50/07/04/852500704.db2.gz	CGBHQVQFSLKVCE-QZTJIDSGSA-N	1	0	364.534	1.381	20	30		FDEDRO
COc1nc(C#N)ncc1-c1ccc(OCCN2CC[NH+](C)CC2)cc1	ZINC000906161300	852666241	/nfs/dbraw/zinc/66/62/41/852666241.db2.gz	CNRUZBBPWXEWRS-UHFFFAOYSA-N	1	0	353.426	1.650	20	30		FDEDRO
CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000906710160	853199150	/nfs/dbraw/zinc/19/91/50/853199150.db2.gz	YOYGZPMCBIJCLC-SFHVURJKSA-N	1	0	362.433	1.534	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NC2(C3CC[NH2+]CC3)CC2)cc1	ZINC000906715115	853205807	/nfs/dbraw/zinc/20/58/07/853205807.db2.gz	HJZUSAQCBVXEDN-UHFFFAOYSA-N	1	0	370.453	1.189	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1C(F)(F)F	ZINC000906724458	853265437	/nfs/dbraw/zinc/26/54/37/853265437.db2.gz	GEWWMLNMBFOWIA-KGYLQXTDSA-N	1	0	352.316	1.525	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2coc(Sc3ncccn3)n2)CC1	ZINC000906774392	853301100	/nfs/dbraw/zinc/30/11/00/853301100.db2.gz	COGJIZUKHZQNEW-UHFFFAOYSA-N	1	0	357.439	1.833	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1	ZINC001060257026	862488999	/nfs/dbraw/zinc/48/89/99/862488999.db2.gz	VNDKFPQMYMGYAB-ZACQAIPSSA-N	1	0	351.491	1.274	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1ccc(C#N)cn1	ZINC000907028522	853719535	/nfs/dbraw/zinc/71/95/35/853719535.db2.gz	JDSIITBKNJTYIA-UHFFFAOYSA-N	1	0	350.469	1.767	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCC2CCN(c3cc[nH+]cc3)CC2)nc1	ZINC000907092770	853821568	/nfs/dbraw/zinc/82/15/68/853821568.db2.gz	RGWPTMMSVQYZCL-UHFFFAOYSA-N	1	0	357.439	1.543	20	30		FDEDRO
C#Cc1ccc(S(=O)(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1	ZINC000907278403	853980967	/nfs/dbraw/zinc/98/09/67/853980967.db2.gz	FBKFLJVWADSPHN-LJQANCHMSA-N	1	0	370.474	1.713	20	30		FDEDRO
CCCC[N@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000486516871	854730625	/nfs/dbraw/zinc/73/06/25/854730625.db2.gz	JHJXIVGJPSVWQS-GOSISDBHSA-N	1	0	371.485	1.690	20	30		FDEDRO
C[C@@H]1[C@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCC[N@@H+]1C	ZINC000486505129	854737909	/nfs/dbraw/zinc/73/79/09/854737909.db2.gz	DWNBUSLGQYSIKA-OLMNPRSZSA-N	1	0	369.469	1.441	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCn2ncc(C(=O)NC(C)C)c2C1	ZINC000908066868	854983893	/nfs/dbraw/zinc/98/38/93/854983893.db2.gz	JNVFVECXJVDPTP-OAHLLOKOSA-N	1	0	361.490	1.208	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ncoc1C)C2	ZINC001112277459	855133581	/nfs/dbraw/zinc/13/35/81/855133581.db2.gz	YXSYLYFQTOWPKU-RFUYNDQBSA-N	1	0	360.458	1.506	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1	ZINC000669251175	862672065	/nfs/dbraw/zinc/67/20/65/862672065.db2.gz	BQLIODSRQJUNRT-KSZLIROESA-N	1	0	365.518	1.855	20	30		FDEDRO
CN(C)c1ccc([C@@H](CNS(=O)(=O)CC(C)(C)C#N)[NH+](C)C)cc1	ZINC000908459212	855443801	/nfs/dbraw/zinc/44/38/01/855443801.db2.gz	BTSHNHYGPYCZNN-MRXNPFEDSA-N	1	0	352.504	1.824	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C	ZINC000908459269	855443948	/nfs/dbraw/zinc/44/39/48/855443948.db2.gz	DUEKMHDAZDNMEW-PBHICJAKSA-N	1	0	367.519	1.281	20	30		FDEDRO
C#CCCCc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C	ZINC000908532459	855540204	/nfs/dbraw/zinc/54/02/04/855540204.db2.gz	WBRYLKISDGQCTG-UHFFFAOYSA-N	1	0	373.423	1.862	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1	ZINC000908607713	855609790	/nfs/dbraw/zinc/60/97/90/855609790.db2.gz	XRPQKVJZJUUDOI-UHFFFAOYSA-N	1	0	370.375	1.937	20	30		FDEDRO
C=CCn1c(-c2cc[nH]n2)nnc1N1CCN(c2cc[nH+]cc2)[C@@H](C)C1	ZINC000908695602	855685041	/nfs/dbraw/zinc/68/50/41/855685041.db2.gz	RKHFEZXZPOCQKZ-AWEZNQCLSA-N	1	0	350.430	1.964	20	30		FDEDRO
C=CCn1c(-c2ccc(=O)n(C)c2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1	ZINC000908740363	855736790	/nfs/dbraw/zinc/73/67/90/855736790.db2.gz	AAUXNJNSXQMLQP-MRXNPFEDSA-N	1	0	370.501	1.998	20	30		FDEDRO
C=CCn1c(-c2ccc(=O)n(C)c2)nnc1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1	ZINC000908744223	855742978	/nfs/dbraw/zinc/74/29/78/855742978.db2.gz	GQFRVMLRXKBAKS-GDBMZVCRSA-N	1	0	354.458	1.360	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1	ZINC000487581702	856484771	/nfs/dbraw/zinc/48/47/71/856484771.db2.gz	JXPZRDJGLFJJGA-MSOLQXFVSA-N	1	0	360.433	1.874	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](CCCOC)CC2)C1	ZINC000668789574	856601367	/nfs/dbraw/zinc/60/13/67/856601367.db2.gz	ZJTNLBVZQVHCKC-INIZCTEOSA-N	1	0	351.491	1.418	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(F)F)C[C@H]1C[NH2+]CC(=O)NCC#Cc1ccccc1	ZINC001105745118	862876915	/nfs/dbraw/zinc/87/69/15/862876915.db2.gz	OFJNUJZZPIWCII-GDBMZVCRSA-N	1	0	363.408	1.104	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1	ZINC000910596806	857388942	/nfs/dbraw/zinc/38/89/42/857388942.db2.gz	IFLNXRDQLUUCEP-UHFFFAOYSA-N	1	0	362.499	1.911	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCOC)C[C@H]1C	ZINC001105753365	862932075	/nfs/dbraw/zinc/93/20/75/862932075.db2.gz	VGUFAUGVVJRBGB-BRWVUGGUSA-N	1	0	353.507	1.520	20	30		FDEDRO
C[C@@H]1CCCN(C(=O)C(=O)N(c2ccc(C#N)cn2)[C@H]2CCC[NH2+]C2)C1	ZINC000910858376	857787738	/nfs/dbraw/zinc/78/77/38/857787738.db2.gz	NFTMWVPSBIRJNU-ZBFHGGJFSA-N	1	0	355.442	1.297	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)N(c1ccc(C#N)cn1)[C@@H]1CCC[NH2+]C1	ZINC000910858369	857787937	/nfs/dbraw/zinc/78/79/37/857787937.db2.gz	MYEHGEBLOWAROF-MRXNPFEDSA-N	1	0	369.469	1.757	20	30		FDEDRO
C#CCN(C(=O)C(=O)N(C)Cc1ccccc1OC)C1CC[NH+](C)CC1	ZINC000910885782	857836918	/nfs/dbraw/zinc/83/69/18/857836918.db2.gz	NEONMCIGNZYOFH-UHFFFAOYSA-N	1	0	357.454	1.210	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1	ZINC000910954014	857924921	/nfs/dbraw/zinc/92/49/21/857924921.db2.gz	WVIBSMNESCCDDT-FLTJSSMESA-N	1	0	371.481	1.259	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CCCC[C@@H]2C2(C[NH3+])CCC2)c1	ZINC000910985554	857985283	/nfs/dbraw/zinc/98/52/83/857985283.db2.gz	CECJQBPEKWXOMQ-GOSISDBHSA-N	1	0	353.466	1.794	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N[C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)c1	ZINC000910989089	857989764	/nfs/dbraw/zinc/98/97/64/857989764.db2.gz	XEFXERQOIJRBMT-IQGASKDCSA-N	1	0	361.445	1.459	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@H]2CC[C@@]21C[NH3+]	ZINC000911001209	858018423	/nfs/dbraw/zinc/01/84/23/858018423.db2.gz	KGNGWMXUFLEAAJ-OXJNMPFZSA-N	1	0	357.454	1.598	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1C[C@H]2CC[C@@H](C1)O2	ZINC000669335849	863006127	/nfs/dbraw/zinc/00/61/27/863006127.db2.gz	ZAPGIKMPEASYNP-NCOADZHNSA-N	1	0	359.474	1.758	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2)C(C)C	ZINC000911204154	858308854	/nfs/dbraw/zinc/30/88/54/858308854.db2.gz	VJTAXLLUGAFPOF-XLIONFOSSA-N	1	0	362.518	1.156	20	30		FDEDRO
C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000669336622	863011450	/nfs/dbraw/zinc/01/14/50/863011450.db2.gz	NTXHOSMDYADOPY-OAHLLOKOSA-N	1	0	374.493	1.197	20	30		FDEDRO
CCCCCCCCNC(=O)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1	ZINC000911268846	858384651	/nfs/dbraw/zinc/38/46/51/858384651.db2.gz	RTKOEIWUSKSQIW-INIZCTEOSA-N	1	0	353.507	1.738	20	30		FDEDRO
C=C(C)Cn1c(-c2cc[nH]n2)nnc1N1CC[NH+](CCOC(C)C)CC1	ZINC000669340180	863026777	/nfs/dbraw/zinc/02/67/77/863026777.db2.gz	VBAWLJXAYWPCHB-UHFFFAOYSA-N	1	0	359.478	1.791	20	30		FDEDRO
C=C(C)Cn1c(-c2cc[nH]n2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C	ZINC000669341188	863033572	/nfs/dbraw/zinc/03/35/72/863033572.db2.gz	PXPHBFKCSIHQLI-OAHLLOKOSA-N	1	0	371.489	1.934	20	30		FDEDRO
CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)NCc2cc(C#N)ccc2F)C1	ZINC000911402293	858589011	/nfs/dbraw/zinc/58/90/11/858589011.db2.gz	DTJXEWKZYFWUPT-IBGZPJMESA-N	1	0	360.433	1.537	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CCCC[C@@H]2C2(C[NH3+])CCC2)cc1C#N	ZINC000911433053	858614924	/nfs/dbraw/zinc/61/49/24/858614924.db2.gz	BAWVSEZFPLDLAH-GOSISDBHSA-N	1	0	368.481	1.993	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1C#N	ZINC000911436838	858618662	/nfs/dbraw/zinc/61/86/62/858618662.db2.gz	WQUOWDWZLNRDPC-KGLIPLIRSA-N	1	0	368.359	1.079	20	30		FDEDRO
C=CCN(C(=O)C(=O)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C	ZINC000911573632	858796188	/nfs/dbraw/zinc/79/61/88/858796188.db2.gz	KWQGSAYABJATAG-UZLBHIALSA-N	1	0	357.454	1.782	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21	ZINC000911578693	858805649	/nfs/dbraw/zinc/80/56/49/858805649.db2.gz	ILVVINNWCMLPPX-OXJNMPFZSA-N	1	0	357.454	1.783	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1cnn(-c2ncccc2C#N)c1	ZINC000763356991	881388616	/nfs/dbraw/zinc/38/86/16/881388616.db2.gz	GWNBZCMCIJAFRC-OAHLLOKOSA-N	1	0	355.471	1.910	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc3c([nH]2)CCC3)C[C@H]1C	ZINC001106864667	881397938	/nfs/dbraw/zinc/39/79/38/881397938.db2.gz	WBXNKDCIMYAFAS-IJEWVQPXSA-N	1	0	358.486	1.492	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc3nccn3c2)C[C@H]1C	ZINC001106865379	881403234	/nfs/dbraw/zinc/40/32/34/881403234.db2.gz	JMNDQOLSHRQSGQ-BFYDXBDKSA-N	1	0	369.469	1.323	20	30		FDEDRO
C[C@@]1(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C[NH+]2CCC1CC2	ZINC000912381397	859660730	/nfs/dbraw/zinc/66/07/30/859660730.db2.gz	ZWKJEYNJHOAPOK-LJQANCHMSA-N	1	0	350.426	1.540	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N[C@H]1COC2(CN(C(=O)OC(C)(C)C)C2)C1	ZINC000912431271	859733014	/nfs/dbraw/zinc/73/30/14/859733014.db2.gz	VHBJGRZZVROJLL-CQSZACIVSA-N	1	0	353.463	1.389	20	30		FDEDRO
CC(C)C[NH2+]C1(CO)CCN(C(=O)Cc2cccc(OCC#N)c2)CC1	ZINC000912589813	859918365	/nfs/dbraw/zinc/91/83/65/859918365.db2.gz	HPGGBZJRRNPQAX-UHFFFAOYSA-N	1	0	359.470	1.731	20	30		FDEDRO
C=CCn1c(-c2cc[nH]n2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1	ZINC000669031383	860287739	/nfs/dbraw/zinc/28/77/39/860287739.db2.gz	LZJQZXAPDOQIMW-UHFFFAOYSA-N	1	0	371.489	1.935	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1C[C@H](C(N)=O)CC[C@H]1C	ZINC000669033800	860864950	/nfs/dbraw/zinc/86/49/50/860864950.db2.gz	ZIUGCCWEPKLMQJ-FPCVCCKLSA-N	1	0	374.489	1.090	20	30		FDEDRO
C[NH+](C)CCOc1cccc(NC(=O)C(=O)NCC#Cc2ccccc2)c1	ZINC000490203621	860915365	/nfs/dbraw/zinc/91/53/65/860915365.db2.gz	MTTDZYXQEYZRNS-UHFFFAOYSA-N	1	0	365.433	1.733	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)COCC)C[C@H]2C)c1	ZINC001105788790	863190554	/nfs/dbraw/zinc/19/05/54/863190554.db2.gz	JSRKIMRLAOKYDD-NVXWUHKLSA-N	1	0	357.454	1.327	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC[C@@H](C)O)C1	ZINC001112101593	863303116	/nfs/dbraw/zinc/30/31/16/863303116.db2.gz	UECYVNGYEMDYKJ-MGPQQGTHSA-N	1	0	350.381	1.166	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C)nc2)C[C@H]1C	ZINC001105827426	863381771	/nfs/dbraw/zinc/38/17/71/863381771.db2.gz	PPZWEPJFHJIWHH-CRAIPNDOSA-N	1	0	371.485	1.450	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@@H]1CN(c2ccccc2)C(=O)O1	ZINC000760886407	863395909	/nfs/dbraw/zinc/39/59/09/863395909.db2.gz	CDXKLIBASDEVNI-CQSZACIVSA-N	1	0	354.414	1.753	20	30		FDEDRO
COCc1noc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)CSCC#N)C[C@H]2C)n1	ZINC001105845928	863474593	/nfs/dbraw/zinc/47/45/93/863474593.db2.gz	AJTLRVLMVRNAQI-FRRDWIJNSA-N	1	0	367.475	1.218	20	30		FDEDRO
COc1coc(C[NH2+]C[C@@H]2CN(C(=O)CSCC#N)C[C@H]2C)cc1=O	ZINC001105848126	863494038	/nfs/dbraw/zinc/49/40/38/863494038.db2.gz	PAEGYBDYLKJXEB-CHWSQXEVSA-N	1	0	365.455	1.089	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)OCC)C[C@H]1C	ZINC001105856994	863530269	/nfs/dbraw/zinc/53/02/69/863530269.db2.gz	GGERELWSWURHDJ-BRWVUGGUSA-N	1	0	351.491	1.296	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCOCC)C[C@H]1C	ZINC001105862722	863546378	/nfs/dbraw/zinc/54/63/78/863546378.db2.gz	QLNYUFYMXPIUDI-QZTJIDSGSA-N	1	0	367.534	1.912	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)c3ccon3)C[C@H]2C)c1	ZINC001105876350	863598612	/nfs/dbraw/zinc/59/86/12/863598612.db2.gz	KXGMJOWOBFCWFO-GDBMZVCRSA-N	1	0	366.421	1.592	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)/C=C(/C)C2CC2)C[C@H]1C	ZINC001105882022	863635125	/nfs/dbraw/zinc/63/51/25/863635125.db2.gz	VHLDRROOJBAGOR-PSIJOBTASA-N	1	0	362.474	1.039	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc(C)cn2)C[C@H]1C	ZINC001105885500	863657116	/nfs/dbraw/zinc/65/71/16/863657116.db2.gz	NULQQHPKOCWZSH-TZMCWYRMSA-N	1	0	355.280	1.784	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccnn2C(F)F)C[C@H]1C(F)(F)F	ZINC001112109142	863657170	/nfs/dbraw/zinc/65/71/70/863657170.db2.gz	YMMAORSKWVRTKL-NXEZZACHSA-N	1	0	350.291	1.894	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOC)C1)OCC	ZINC001112110613	863738322	/nfs/dbraw/zinc/73/83/22/863738322.db2.gz	YDVDJVLMWCLZIV-MCIONIFRSA-N	1	0	352.397	1.983	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CNc2cnc(C#N)cn2)CC[N@@H+]1C	ZINC001060316590	863782560	/nfs/dbraw/zinc/78/25/60/863782560.db2.gz	ZRBUJDCYLZHQOR-YESZJQIVSA-N	1	0	356.474	1.872	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(COC)CCOCC2)C[C@H]1C(F)(F)F	ZINC001112112626	863907713	/nfs/dbraw/zinc/90/77/13/863907713.db2.gz	OUWFLPVLANPNJS-ZIAGYGMSSA-N	1	0	362.392	1.432	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CCCN2CCCC2=O)[C@H](C)C1	ZINC001105908914	863910332	/nfs/dbraw/zinc/91/03/32/863910332.db2.gz	CFQVRCDXWQZIPO-KZNAEPCWSA-N	1	0	365.518	1.664	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@H](C(F)(F)F)C3)CC2)o1	ZINC000761044964	863925793	/nfs/dbraw/zinc/92/57/93/863925793.db2.gz	MYPLLVQTJUTPJO-LBPRGKRZSA-N	1	0	371.363	1.388	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)C2CC2)[C@H](C)C1	ZINC001105910877	863926968	/nfs/dbraw/zinc/92/69/68/863926968.db2.gz	ZUCWBXOVLXRJNE-IXDOHACOSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)N2CCCCCC2)[C@H](C)C1	ZINC001105937992	864130262	/nfs/dbraw/zinc/13/02/62/864130262.db2.gz	KFUJAPXZXHTVQD-FGTMMUONSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2-c2ccccc2)[C@H](C)C1	ZINC001105941868	864153909	/nfs/dbraw/zinc/15/39/09/864153909.db2.gz	NXKNGKXVVQGBPZ-HZPDHXFCSA-N	1	0	370.457	1.049	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@H](C)c2ccco2)[C@H](C)C1	ZINC001105942032	864154925	/nfs/dbraw/zinc/15/49/25/864154925.db2.gz	VIXJKTLDWMZPFM-BZUAXINKSA-N	1	0	363.458	1.344	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccon2)C[C@H]1C	ZINC001105964659	864252384	/nfs/dbraw/zinc/25/23/84/864252384.db2.gz	RJLXTUDOKCJCPL-HZPDHXFCSA-N	1	0	362.474	1.326	20	30		FDEDRO
Cc1cc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)n1	ZINC001105985440	864347576	/nfs/dbraw/zinc/34/75/76/864347576.db2.gz	KHPXGJKXPRNCTL-CXAGYDPISA-N	1	0	354.458	1.698	20	30		FDEDRO
CC(C)CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC001105989308	864382948	/nfs/dbraw/zinc/38/29/48/864382948.db2.gz	WYSSUQQKVIRODM-IIAWOOMASA-N	1	0	359.474	1.345	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2nnc[nH]2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001105992666	864406108	/nfs/dbraw/zinc/40/61/08/864406108.db2.gz	XUHYORNFXAZXMY-NVXWUHKLSA-N	1	0	369.444	1.612	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2=CCCC2)C[C@H]1C	ZINC001106005396	864567657	/nfs/dbraw/zinc/56/76/57/864567657.db2.gz	PVSYEWFVAOHAPL-IIAWOOMASA-N	1	0	362.474	1.181	20	30		FDEDRO
CC[C@H](C)OCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CCC#N)[C@H](C)C1	ZINC001106021604	864721488	/nfs/dbraw/zinc/72/14/88/864721488.db2.gz	ZJEQECFLEUUZTI-IXDOHACOSA-N	1	0	366.506	1.248	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H](CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC001060375341	864832124	/nfs/dbraw/zinc/83/21/24/864832124.db2.gz	NYLYDYWPNUQBEL-SZVBFZGTSA-N	1	0	368.481	1.372	20	30		FDEDRO
C=C(Br)CN1CC[C@H](NC(=O)c2c[nH]c(=O)cc2OC)[C@H]1C	ZINC001088865740	864926366	/nfs/dbraw/zinc/92/63/66/864926366.db2.gz	FNFHIKDSBJYRPN-PWSUYJOCSA-N	1	0	370.247	1.897	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2nccs2)[C@H](C)C1	ZINC001106059555	865070931	/nfs/dbraw/zinc/07/09/31/865070931.db2.gz	XUCHVCRGALLXDN-PBFPGSCMSA-N	1	0	366.487	1.093	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)COc2ccccc2)[C@H](C)C1	ZINC001106065697	865117953	/nfs/dbraw/zinc/11/79/53/865117953.db2.gz	DOQHSOPRXCTXEO-QRVBRYPASA-N	1	0	358.482	1.914	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(CC(C)C)c[nH]2)C[C@H]1C	ZINC001106883767	881896273	/nfs/dbraw/zinc/89/62/73/881896273.db2.gz	IBWJXEKNABQDKN-NVXWUHKLSA-N	1	0	360.502	1.813	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](CCC3=CCCCC3)C[C@@H]2O)nn1	ZINC001083849063	881901191	/nfs/dbraw/zinc/90/11/91/881901191.db2.gz	LTGCKFFWOJXRFJ-AEFFLSMTSA-N	1	0	359.474	1.520	20	30		FDEDRO
CCCCCC[C@@H](F)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106880848	881904888	/nfs/dbraw/zinc/90/48/88/881904888.db2.gz	OUSAVITUNUFSSB-BZUAXINKSA-N	1	0	354.470	1.619	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3c[nH]c4cccnc43)[C@H]2C)C1=O	ZINC001088982523	865909127	/nfs/dbraw/zinc/90/91/27/865909127.db2.gz	CIALHULEYNASHN-KMFMINBZSA-N	1	0	367.453	1.542	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(N)=O)cc3)[C@@H]2C)nc1	ZINC001088987535	865930048	/nfs/dbraw/zinc/93/00/48/865930048.db2.gz	GWHBBEHBVLIZPG-KDOFPFPSSA-N	1	0	362.433	1.555	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCCN3CCCC3=O)[C@@H]2C)cn1	ZINC001088990151	865947054	/nfs/dbraw/zinc/94/70/54/865947054.db2.gz	HHRWKGVJRAJRHB-QAPCUYQASA-N	1	0	354.454	1.268	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)[C@@H]1C	ZINC001089005464	866002675	/nfs/dbraw/zinc/00/26/75/866002675.db2.gz	JRBMYCSBMUBISA-AHRSYUTCSA-N	1	0	366.465	1.047	20	30		FDEDRO
C[NH+]=C(NCc1cccc(S(N)(=O)=O)c1)NC[C@@H]1CCc2ccccc21	ZINC000174045379	866238401	/nfs/dbraw/zinc/23/84/01/866238401.db2.gz	YAKMYGKNUDYWTQ-INIZCTEOSA-N	1	0	372.494	1.729	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3coc(C4CC4)n3)[C@@H]2C)CC1	ZINC001089059350	866385019	/nfs/dbraw/zinc/38/50/19/866385019.db2.gz	JAFQYZPBTBDPGE-BEFAXECRSA-N	1	0	370.497	1.976	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C[NH2+]CC#Cc1cccc(Cl)c1	ZINC001106084274	866411422	/nfs/dbraw/zinc/41/14/22/866411422.db2.gz	GMRDBDJEOSMDMV-GDBMZVCRSA-N	1	0	371.872	1.818	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N(C)C2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001089062885	866431374	/nfs/dbraw/zinc/43/13/74/866431374.db2.gz	YWUCOOCMAXXAHE-JLSDUUJJSA-N	1	0	354.454	1.506	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)C(CC)CC)C2	ZINC001111526018	866934745	/nfs/dbraw/zinc/93/47/45/866934745.db2.gz	AHZNFYJXXIZTAS-ZACQAIPSSA-N	1	0	351.491	1.463	20	30		FDEDRO
COc1ccnc(C(=N)Nc2cc(CN3CC[NH+](C)CC3)ccc2OC)n1	ZINC001168427607	867622276	/nfs/dbraw/zinc/62/22/76/867622276.db2.gz	FRSOSAIIYDRTRE-UHFFFAOYSA-N	1	0	370.457	1.278	20	30		FDEDRO
C=CCn1c(COC)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1	ZINC000669810248	867629786	/nfs/dbraw/zinc/62/97/86/867629786.db2.gz	DORZXCQKTKNBJB-IRXDYDNUSA-N	1	0	362.522	1.605	20	30		FDEDRO
Cc1ccccc1[C@H]([C@H](C)NC(=O)NCCn1cnc(C#N)n1)[NH+](C)C	ZINC000508846861	867759311	/nfs/dbraw/zinc/75/93/11/867759311.db2.gz	AJXBVUYTBHCHMZ-YOEHRIQHSA-N	1	0	355.446	1.449	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]CC[C@@H]2CCS(=O)(=O)C2)[C@H](C)C1	ZINC001106099365	868048981	/nfs/dbraw/zinc/04/89/81/868048981.db2.gz	GRACSGVMNJOMEW-BRWVUGGUSA-N	1	0	354.516	1.155	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]CCCNC(=O)C(F)(F)F	ZINC001106101153	868089573	/nfs/dbraw/zinc/08/95/73/868089573.db2.gz	KFRRFDYUPFQOOW-TZMCWYRMSA-N	1	0	359.392	1.153	20	30		FDEDRO
NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@]12CCC[C@@H]1[N@H+](CC#Cc1ccc(F)cc1)CC2	ZINC000992177295	868172441	/nfs/dbraw/zinc/17/24/41/868172441.db2.gz	JNSODNBXZLUUOH-OEMYIYORSA-N	1	0	369.440	1.412	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)n2CCC)[C@H](C)C1	ZINC001106112245	868398530	/nfs/dbraw/zinc/39/85/30/868398530.db2.gz	ZHUUFXKEBHDOTB-HLLBOEOZSA-N	1	0	361.490	1.219	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2csnc2OC)[C@H](C)C1	ZINC001106116801	868575375	/nfs/dbraw/zinc/57/53/75/868575375.db2.gz	NRGRKINHGVUFNQ-MGPQQGTHSA-N	1	0	351.472	1.374	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(C)(C)C)[C@H](C)C1	ZINC001106117189	868587476	/nfs/dbraw/zinc/58/74/76/868587476.db2.gz	JJWNWWDUYDIOPW-BZUAXINKSA-N	1	0	351.491	1.014	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1	ZINC000464800925	869019606	/nfs/dbraw/zinc/01/96/06/869019606.db2.gz	HQQROAAHLNUIOQ-OXQOHEQNSA-N	1	0	354.454	1.924	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H](OC)c3ccccc3)C[C@@H]2O)cc1	ZINC001083691336	869089872	/nfs/dbraw/zinc/08/98/72/869089872.db2.gz	KJYCUPCWMHGZTK-QHAWAJNXSA-N	1	0	364.445	1.831	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)C(C)(C)[N@@H+](C)CC)C1	ZINC001060419602	869480778	/nfs/dbraw/zinc/48/07/78/869480778.db2.gz	DXHYTXKEEHXMSD-ZACQAIPSSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)CCC[NH+](C)C)C1	ZINC001060421011	869518938	/nfs/dbraw/zinc/51/89/38/869518938.db2.gz	ZSWBFCXLBKBLCX-ZACQAIPSSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(CC)c2)C[C@@H]1O	ZINC001083853609	882329114	/nfs/dbraw/zinc/32/91/14/882329114.db2.gz	CPABDYRSXKIRDM-YRPNKDGESA-N	1	0	358.482	1.892	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC(=O)NC)C[C@H]2CC1	ZINC000946813641	882332096	/nfs/dbraw/zinc/33/20/96/882332096.db2.gz	ZSUAKNWNYDTDHW-ZMMAXQRCSA-N	1	0	363.502	1.274	20	30		FDEDRO
CC#CCN(C)C(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C	ZINC000492194253	869788985	/nfs/dbraw/zinc/78/89/85/869788985.db2.gz	IJKZOLMSVXYVDO-UHFFFAOYSA-N	1	0	356.470	1.557	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)CC[C@@H]2C1	ZINC000946818889	882358938	/nfs/dbraw/zinc/35/89/38/882358938.db2.gz	QLBZUGAQBONSPS-IYWMVGAKSA-N	1	0	370.497	1.482	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)CC1	ZINC000913966092	870145776	/nfs/dbraw/zinc/14/57/76/870145776.db2.gz	VVCUPJVUYINYAF-SFHVURJKSA-N	1	0	374.485	1.358	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)NCc1ccc(C#N)cc1)C2	ZINC000914053167	870485503	/nfs/dbraw/zinc/48/55/03/870485503.db2.gz	QQBDNLFHJUXXPP-FTEYMNFISA-N	1	0	356.470	1.837	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)Cc2ccsc2)[C@@H](n2ccnn2)C1	ZINC001128638132	882445593	/nfs/dbraw/zinc/44/55/93/882445593.db2.gz	QWMRFQNDMYPZFN-CVEARBPZSA-N	1	0	361.471	1.126	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]2C)nc1	ZINC000994384401	882455801	/nfs/dbraw/zinc/45/58/01/882455801.db2.gz	ONDFQAMCMMBVAQ-QGPMSJSTSA-N	1	0	356.470	1.227	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H](C)C1N=NC(=O)N1C)C(C)C	ZINC000914125413	870939639	/nfs/dbraw/zinc/93/96/39/870939639.db2.gz	DWDLHUUYEMSJMM-KGLIPLIRSA-N	1	0	350.467	1.580	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@]2(C)C=CCC2)C3)CC1	ZINC001005143229	882469132	/nfs/dbraw/zinc/46/91/32/882469132.db2.gz	JQFVWKKQJPHBCE-IWQHBPENSA-N	1	0	369.509	1.936	20	30		FDEDRO
Cc1oc2ccccc2c1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106170548	871561499	/nfs/dbraw/zinc/56/14/99/871561499.db2.gz	YSVAIXWJNMVBHR-UKRRQHHQSA-N	1	0	368.437	1.679	20	30		FDEDRO
N#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[NH+]4CCC2CC4)C3)[nH]1	ZINC001002949214	871966506	/nfs/dbraw/zinc/96/65/06/871966506.db2.gz	CUSYPYIFFZWJLY-ATLSCFEFSA-N	1	0	367.453	1.090	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2c3c[nH]nc3ccc2C)[C@H](OC)C1	ZINC001212491984	872374648	/nfs/dbraw/zinc/37/46/48/872374648.db2.gz	SSMNRUMNQZLGLB-IAGOWNOFSA-N	1	0	358.442	1.503	20	30		FDEDRO
C[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@]3(C)C2)CC1	ZINC000992814440	872505178	/nfs/dbraw/zinc/50/51/78/872505178.db2.gz	FTNTZVUVMBNNND-UZLBHIALSA-N	1	0	369.469	1.149	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCN2CCCC2=O)C1	ZINC001033491885	882620815	/nfs/dbraw/zinc/62/08/15/882620815.db2.gz	LWMLMIHIHJBZLW-AOIWGVFYSA-N	1	0	363.502	1.513	20	30		FDEDRO
C[C@H](C#N)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1C[NH+](C)C)C2	ZINC001003242613	872859877	/nfs/dbraw/zinc/85/98/77/872859877.db2.gz	YROJWZNZAZXCPT-NGFQHRJXSA-N	1	0	360.483	1.831	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000282105742	873030245	/nfs/dbraw/zinc/03/02/45/873030245.db2.gz	JKRGNGAIWRFTHH-SFHVURJKSA-N	1	0	371.481	1.952	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccccn2)CC1	ZINC001003363153	873216783	/nfs/dbraw/zinc/21/67/83/873216783.db2.gz	MHFMFRBEPVYCQV-QRQLOZEOSA-N	1	0	366.465	1.289	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC23CCC3)CC1	ZINC001003366140	873244587	/nfs/dbraw/zinc/24/45/87/873244587.db2.gz	UGIUTAHKMMMATI-MKXGPGLRSA-N	1	0	369.509	1.770	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+]CCN2C(=O)NC(C)(C)C2=O)[C@H](C)C1	ZINC001106191472	873250154	/nfs/dbraw/zinc/25/01/54/873250154.db2.gz	DYKCOJSJOXUXIB-HUUCEWRRSA-N	1	0	364.490	1.357	20	30		FDEDRO
C[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000272190627	873415388	/nfs/dbraw/zinc/41/53/88/873415388.db2.gz	FHHFWNNPZHSYLO-GDBMZVCRSA-N	1	0	367.453	1.278	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCC2)[C@H](C)C1)OCC	ZINC001106197064	873425096	/nfs/dbraw/zinc/42/50/96/873425096.db2.gz	DESWCQYSUCQFEZ-KZNAEPCWSA-N	1	0	365.518	1.664	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CN(Cc3cccc(C#N)c3)C[C@@H]2O)C1	ZINC001083718958	873503299	/nfs/dbraw/zinc/50/32/99/873503299.db2.gz	IGOAWNFDPPSYOL-ZCNNSNEGSA-N	1	0	370.497	1.342	20	30		FDEDRO
COC(=O)C(C)(C)N1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1	ZINC000494437825	873529540	/nfs/dbraw/zinc/52/95/40/873529540.db2.gz	PEMDQXHZWGHGLJ-UHFFFAOYSA-N	1	0	358.442	1.456	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC[N@@H+]1C	ZINC000922184998	873562759	/nfs/dbraw/zinc/56/27/59/873562759.db2.gz	VLEAWVXBLKGNFG-XOKHGSTOSA-N	1	0	355.442	1.051	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)c4cc[nH]c4)C[C@@]3(C)C2)CC1	ZINC000993021103	873707225	/nfs/dbraw/zinc/70/72/25/873707225.db2.gz	SDUOJJYUCFTZMP-GHTZIAJQSA-N	1	0	368.481	1.280	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)[C@@H](F)CC)C[C@@]3(C)C2)CC1	ZINC000993019683	873710185	/nfs/dbraw/zinc/71/01/85/873710185.db2.gz	MIYZOYMREMXAMX-ABSDTBQOSA-N	1	0	363.477	1.387	20	30		FDEDRO
COCCN1C(=O)C[C@H](C[NH2+]Cc2csc(C#N)c2)[C@H]1c1cnn(C)c1	ZINC000922228354	873951207	/nfs/dbraw/zinc/95/12/07/873951207.db2.gz	NCCFTDGMUUNBHW-KDOFPFPSSA-N	1	0	373.482	1.679	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC[NH+](C)CC2)C3)cc1	ZINC001003748229	874136475	/nfs/dbraw/zinc/13/64/75/874136475.db2.gz	AHTDQRJLDRSFFN-AQNXPRMDSA-N	1	0	365.477	1.871	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2sc3nccn3c2C)C[C@H]1C	ZINC001106261091	874212672	/nfs/dbraw/zinc/21/26/72/874212672.db2.gz	QGIUTPHJYUOOGA-UKRRQHHQSA-N	1	0	360.483	1.652	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)c2sccc2C[NH+](C)C)C1	ZINC000993079086	874224880	/nfs/dbraw/zinc/22/48/80/874224880.db2.gz	BWKLVNXEJMNOOB-CABCVRRESA-N	1	0	363.483	1.341	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2ccc3c(c2)NC(=O)C3)C[C@H]1C	ZINC001106263763	874240324	/nfs/dbraw/zinc/24/03/24/874240324.db2.gz	MWHPSGBEUYOWGY-CRAIPNDOSA-N	1	0	371.481	1.610	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccn3c2CCCC3)C[C@H]1C	ZINC001106264336	874245868	/nfs/dbraw/zinc/24/58/68/874245868.db2.gz	DATGYWRYXRTVFT-IXDOHACOSA-N	1	0	370.497	1.260	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C[C@H]1C	ZINC001106268792	874277710	/nfs/dbraw/zinc/27/77/10/874277710.db2.gz	YTJSKDDEHCUBPK-MKXGPGLRSA-N	1	0	359.514	1.875	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N(CCNC(C)=O)C2CCSCC2)CC1	ZINC000670122100	874346715	/nfs/dbraw/zinc/34/67/15/874346715.db2.gz	CYKNMIUHNUNZIF-UHFFFAOYSA-N	1	0	368.547	1.680	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cnn3ccc(C)cc23)C[C@H]1C	ZINC001106277506	874358115	/nfs/dbraw/zinc/35/81/15/874358115.db2.gz	NUFKTVGYPPGCNW-HZPDHXFCSA-N	1	0	369.469	1.243	20	30		FDEDRO
C[C@H]1CC(N=Nc2ccc(S(=O)(=O)N3CCCCC3)cn2)C[N@@H+]1C	ZINC000761805449	874458056	/nfs/dbraw/zinc/45/80/56/874458056.db2.gz	QRVYZGUSWHSICP-ZDUSSCGKSA-N	1	0	351.476	1.748	20	30		FDEDRO
Cc1onc(CC(=O)NCc2ccncc2OCCC[NH+](C)C)c1C#N	ZINC000495092114	874490723	/nfs/dbraw/zinc/49/07/23/874490723.db2.gz	GNGNNBGDJBKJTJ-UHFFFAOYSA-N	1	0	357.414	1.439	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCc3ccccc32)C[C@H]1C	ZINC001106322654	874762028	/nfs/dbraw/zinc/76/20/28/874762028.db2.gz	POUUJIPGYOFCSJ-YVWKXTFCSA-N	1	0	367.493	1.540	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnn(C)c2Cl)C[C@H]1C	ZINC001106324500	874782179	/nfs/dbraw/zinc/78/21/79/874782179.db2.gz	SLMMWBSBZRRHDO-JHJVBQTASA-N	1	0	367.881	1.062	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106327873	874791881	/nfs/dbraw/zinc/79/18/81/874791881.db2.gz	YRNPVHJGLXIPHH-SJLPKXTDSA-N	1	0	362.495	1.157	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106331111	874803232	/nfs/dbraw/zinc/80/32/32/874803232.db2.gz	NHMCMBFCUVPYAE-YLJYHZDGSA-N	1	0	363.461	1.735	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c[nH]nc2C(C)C)C[C@H]1C	ZINC001106363201	874914960	/nfs/dbraw/zinc/91/49/60/874914960.db2.gz	BFKHSFMYCPCMKM-QLFBSQMISA-N	1	0	361.490	1.522	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2cc(N(C)C)n3nc(C)cc3n2)CC1	ZINC000889034373	882881386	/nfs/dbraw/zinc/88/13/86/882881386.db2.gz	RCYLZAVGENTUGO-UHFFFAOYSA-N	1	0	357.462	1.876	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cncn2C)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106381123	874985012	/nfs/dbraw/zinc/98/50/12/874985012.db2.gz	YNOAOFODFWQNAA-NVXWUHKLSA-N	1	0	354.429	1.909	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2ccc(F)cc2)C[C@H]1C	ZINC001106384090	875001348	/nfs/dbraw/zinc/00/13/48/875001348.db2.gz	XYALXQQCVVJDCG-NVXWUHKLSA-N	1	0	359.445	1.192	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)COCc2nnc(C)s2)C[C@H]1C	ZINC001106382805	875014657	/nfs/dbraw/zinc/01/46/57/875014657.db2.gz	UVDWYJKDMCFSSM-ZWNOBZJWSA-N	1	0	358.895	1.800	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2noc3ccccc23)C[C@H]1C	ZINC001106391635	875058388	/nfs/dbraw/zinc/05/83/88/875058388.db2.gz	APBVLGDSJRFIHQ-HZPDHXFCSA-N	1	0	355.438	1.704	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)C2CCOCC2)C[C@H]1C	ZINC001106401016	875102884	/nfs/dbraw/zinc/10/28/84/875102884.db2.gz	USOSUHKASOWGNL-IAGOWNOFSA-N	1	0	350.503	1.773	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccnc2C(F)F)C[C@H]1C	ZINC001106405349	875143874	/nfs/dbraw/zinc/14/38/74/875143874.db2.gz	WOADFSICLSWHBZ-ZIAGYGMSSA-N	1	0	351.397	1.967	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCC(C)(C)CO2)C[C@H]1C	ZINC001106450931	875361970	/nfs/dbraw/zinc/36/19/70/875361970.db2.gz	ZPMGRNZWLZIAQH-KZNAEPCWSA-N	1	0	350.503	1.916	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCCC2(F)F)C[C@H]1C	ZINC001106473380	875537630	/nfs/dbraw/zinc/53/76/30/875537630.db2.gz	IVMNBYJIVBKAIP-KFWWJZLASA-N	1	0	357.445	1.798	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CCc2c(C)nn(C)c2C)C[C@H]1C	ZINC001106492923	875671244	/nfs/dbraw/zinc/67/12/44/875671244.db2.gz	NFSNEOWFMHNSIA-CRAIPNDOSA-N	1	0	362.518	1.856	20	30		FDEDRO
C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CC[C@H](C)[C@H]3CCCC[C@H]32)c1=O	ZINC000915208722	875751361	/nfs/dbraw/zinc/75/13/61/875751361.db2.gz	GKYIDWKEAORGCM-GVDBMIGSSA-N	1	0	374.485	1.402	20	30		FDEDRO
COc1ccc([C@@H](O)C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)cc1	ZINC000915225943	875792581	/nfs/dbraw/zinc/79/25/81/875792581.db2.gz	GXLAZRRUKTVULX-PXNSSMCTSA-N	1	0	356.422	1.824	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@H](C)CS(C)(=O)=O)[C@H](C)C1	ZINC001106517980	875814744	/nfs/dbraw/zinc/81/47/44/875814744.db2.gz	BKGXYLJIDUTZNS-ARFHVFGLSA-N	1	0	358.548	1.954	20	30		FDEDRO
N#CC1(c2ccccn2)CCN(S(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)CC1	ZINC000915258018	875869684	/nfs/dbraw/zinc/86/96/84/875869684.db2.gz	RTLJNWBFFSWGCE-SFHVURJKSA-N	1	0	374.510	1.754	20	30		FDEDRO
C[C@@H]1CNC(NN=C2CCOC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)=[NH+]1	ZINC000762433203	875921854	/nfs/dbraw/zinc/92/18/54/875921854.db2.gz	BUKQEYRAEGEISH-NFAWXSAZSA-N	1	0	365.478	1.716	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NCC)[C@H](C)C1	ZINC001106563971	875963100	/nfs/dbraw/zinc/96/31/00/875963100.db2.gz	OEPFRRYMVZMCRV-RRFJBIMHSA-N	1	0	352.479	1.119	20	30		FDEDRO
CCCCCC[N@@H+]1C[C@@H](NC(=O)CSCC#N)[C@@H](n2ccnn2)C1	ZINC001128730240	882996555	/nfs/dbraw/zinc/99/65/55/882996555.db2.gz	HSGBAISVHSLYLR-CABCVRRESA-N	1	0	350.492	1.457	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCc2ccccc2OCC[NH+](C)C)C[C@H](C)N1CC#N	ZINC000915360228	876131663	/nfs/dbraw/zinc/13/16/63/876131663.db2.gz	AUDBMTLBYUFPSG-CALCHBBNSA-N	1	0	373.501	1.755	20	30		FDEDRO
Cc1cc(Cl)ccc1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106617952	876231038	/nfs/dbraw/zinc/23/10/38/876231038.db2.gz	YOEMLIWGWJQYJG-ZIAGYGMSSA-N	1	0	362.861	1.586	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](C[NH2+]CCCN2C(=O)CNC2=O)[C@H](C)C1	ZINC001106628077	876269914	/nfs/dbraw/zinc/26/99/14/876269914.db2.gz	FIIJSVXPFLQBSZ-CLCXKQKWSA-N	1	0	364.490	1.215	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCOCC3)[C@H](C)C2)CC1	ZINC001106628051	876269999	/nfs/dbraw/zinc/26/99/99/876269999.db2.gz	DKLWPGQOXXUTDB-SJLPKXTDSA-N	1	0	363.502	1.276	20	30		FDEDRO
COC[C@@H](OC)C(=O)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2C#N)[C@H](C)C1	ZINC001106643925	876352130	/nfs/dbraw/zinc/35/21/30/876352130.db2.gz	OHDKAZGUYFCZGR-MZMPZRCHSA-N	1	0	363.433	1.543	20	30		FDEDRO
COC[C@H](OC)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)[C@H](C)C1	ZINC001106644655	876352766	/nfs/dbraw/zinc/35/27/66/876352766.db2.gz	YLTFWEXSSJNSBR-QBIMZIAESA-N	1	0	363.433	1.543	20	30		FDEDRO
CO[C@H]1C[C@@H](CN(C)S(=O)(=O)Cc2c(C)cc(C#N)cc2C)[N@H+](C)C1	ZINC000915452202	876357471	/nfs/dbraw/zinc/35/74/71/876357471.db2.gz	FYAMOYNGZZCVDT-IRXDYDNUSA-N	1	0	365.499	1.656	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]CC[C@H]3CCS(=O)(=O)C3)[C@H](C)C2)C1	ZINC001106647750	876383379	/nfs/dbraw/zinc/38/33/79/876383379.db2.gz	USDXTXOGSZAGNT-IXDOHACOSA-N	1	0	368.543	1.852	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCc3ccco3)[C@H](C)C2)C1	ZINC001106647597	876383673	/nfs/dbraw/zinc/38/36/73/876383673.db2.gz	SCJZBDJHNQELFY-HZPDHXFCSA-N	1	0	359.470	1.936	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)NCCC)[C@H](C)C2)c1	ZINC001106650424	876388456	/nfs/dbraw/zinc/38/84/56/876388456.db2.gz	NDIXIPKPKLFCBK-IIDMSEBBSA-N	1	0	356.470	1.275	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2conc2C2CC2)C[C@H]1C	ZINC001106657529	876426048	/nfs/dbraw/zinc/42/60/48/876426048.db2.gz	HKQDGKZMDACZPT-UMVBOHGHSA-N	1	0	360.458	1.540	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(-c3ncon3)c2)C[C@H]1C	ZINC001106658289	876444598	/nfs/dbraw/zinc/44/45/98/876444598.db2.gz	CNIUEZBPXGNPKK-CRAIPNDOSA-N	1	0	368.437	1.684	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2c(F)cc(OC)cc2F)C[C@H]1C	ZINC001106687429	876566426	/nfs/dbraw/zinc/56/64/26/876566426.db2.gz	UAQLFDVZENKAJD-ZIAGYGMSSA-N	1	0	366.408	1.921	20	30		FDEDRO
CC[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1	ZINC001106690635	876583726	/nfs/dbraw/zinc/58/37/26/876583726.db2.gz	KNJAMQLJYCCXFL-MRRJBJDNSA-N	1	0	362.499	1.719	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3ccccc3C2)C[C@H]1C	ZINC001106699693	876608508	/nfs/dbraw/zinc/60/85/08/876608508.db2.gz	GNHJPEYKJDBFHJ-LSTHTHJFSA-N	1	0	367.493	1.225	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cnnc3ccccc32)C[C@H]1C	ZINC001106700752	876609790	/nfs/dbraw/zinc/60/97/90/876609790.db2.gz	UJOFWWRXNVFUDT-HUUCEWRRSA-N	1	0	367.453	1.230	20	30		FDEDRO
CCn1cc(C(=O)N2C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C2)c(C(C)C)n1	ZINC001106710790	876897746	/nfs/dbraw/zinc/89/77/46/876897746.db2.gz	WTCXNZFEEURSBY-IAGOWNOFSA-N	1	0	360.502	1.974	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@H]2CCCO2)[C@H](C)C1	ZINC001106708736	876916989	/nfs/dbraw/zinc/91/69/89/876916989.db2.gz	IMAIRASQKUMBMR-BRWVUGGUSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccn(C(C)C)n2)C[C@H]1C	ZINC001106718878	876949415	/nfs/dbraw/zinc/94/94/15/876949415.db2.gz	ZTZHKXNTRQTUAN-BZUAXINKSA-N	1	0	361.490	1.452	20	30		FDEDRO
CNS(=O)(=O)C1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC000272339599	876983901	/nfs/dbraw/zinc/98/39/01/876983901.db2.gz	YKWCACLRURQITQ-UHFFFAOYSA-N	1	0	373.482	1.472	20	30		FDEDRO
Cc1ccccc1[C@H](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106727762	877009346	/nfs/dbraw/zinc/00/93/46/877009346.db2.gz	SIZIVFGQQQWQKO-KZNAEPCWSA-N	1	0	370.497	1.813	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21	ZINC000272351596	877013645	/nfs/dbraw/zinc/01/36/45/877013645.db2.gz	QSIZGSFSFNUULV-RDJZCZTQSA-N	1	0	370.453	1.837	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+]([C@@H]2CCN(C(C)C)C2=O)CC1	ZINC001003788814	877221766	/nfs/dbraw/zinc/22/17/66/877221766.db2.gz	POVYOTBRKCGZMM-KSZLIROESA-N	1	0	363.502	1.558	20	30		FDEDRO
CO[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1	ZINC001212414848	912223885	/nfs/dbraw/zinc/22/38/85/912223885.db2.gz	WKCRETRSWRFDQW-WOJBJXKFSA-N	1	0	355.482	1.338	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C2	ZINC001112542250	877391171	/nfs/dbraw/zinc/39/11/71/877391171.db2.gz	NNKVUYLILQTUTH-YOEHRIQHSA-N	1	0	357.520	1.109	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(C#N)c1	ZINC001003865813	877397562	/nfs/dbraw/zinc/39/75/62/877397562.db2.gz	RKJVCDRXMUXYJQ-NCOADZHNSA-N	1	0	355.442	1.232	20	30		FDEDRO
CC[C@H](C)c1cc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)on1	ZINC001106741845	877401477	/nfs/dbraw/zinc/40/14/77/877401477.db2.gz	PNSPDMJRJGDXCG-BFHYXJOUSA-N	1	0	361.446	1.126	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001106742110	877401522	/nfs/dbraw/zinc/40/15/22/877401522.db2.gz	VPIZGALDTSZBNG-CZUORRHYSA-N	1	0	360.433	1.360	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]CCOCCO)[C@H](C)C2)cc1	ZINC001106740605	877407726	/nfs/dbraw/zinc/40/77/26/877407726.db2.gz	WZTQJKNJBUWXGR-SJLPKXTDSA-N	1	0	360.454	1.005	20	30		FDEDRO
C[C@@H]1CN(C(=O)C23CCC(CC2)C3(C)C)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106743867	877427324	/nfs/dbraw/zinc/42/73/24/877427324.db2.gz	WYCUKYVREXRZDH-SSWGIJEZSA-N	1	0	360.502	1.527	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@]3(C)C2)CC1	ZINC000993352407	877485488	/nfs/dbraw/zinc/48/54/88/877485488.db2.gz	LGNLTEMULTWIID-OXFYSEKESA-N	1	0	360.502	1.573	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]CCOCC3CC3)[C@H](C)C2)nn1	ZINC001106749686	877504602	/nfs/dbraw/zinc/50/46/02/877504602.db2.gz	DNNMBPLVYCGZGL-NVXWUHKLSA-N	1	0	361.490	1.579	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccc3c2NC(=O)CO3)C[C@H]1C(F)(F)F	ZINC001099263875	877556202	/nfs/dbraw/zinc/55/62/02/877556202.db2.gz	ACLOCMGBTWEQGN-VXGBXAGGSA-N	1	0	369.343	1.796	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cn(CCC)nc2C)C[C@H]1C	ZINC001106798716	878005321	/nfs/dbraw/zinc/00/53/21/878005321.db2.gz	RWWMTAGCYFUFFU-GDBMZVCRSA-N	1	0	361.490	1.201	20	30		FDEDRO
COc1ccc2c(c1)C(=NNC(=S)NCCC[NH+](C)C)CCCO2	ZINC000763175475	878050850	/nfs/dbraw/zinc/05/08/50/878050850.db2.gz	KYFAOYOLLSLADZ-UHFFFAOYSA-N	1	0	350.488	1.988	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@]2(C)C1	ZINC000993434500	878151235	/nfs/dbraw/zinc/15/12/35/878151235.db2.gz	AWQKHBLDNZTFKP-PTSWNOGYSA-N	1	0	369.469	1.291	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccncc2OC[C@H]2CCOC2)CC1	ZINC000922499520	878348096	/nfs/dbraw/zinc/34/80/96/878348096.db2.gz	ZHGHPIAUUYZSKA-INIZCTEOSA-N	1	0	372.469	1.394	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]2OC)CC1	ZINC000946580382	878371631	/nfs/dbraw/zinc/37/16/31/878371631.db2.gz	VEZYRBLBILAQLE-KZNAEPCWSA-N	1	0	363.502	1.559	20	30		FDEDRO
CN1CCOC[C@]1(CO)C[NH2+]Cc1cc(C#N)ccc1Br	ZINC000922534269	878473384	/nfs/dbraw/zinc/47/33/84/878473384.db2.gz	JNNWBMSCYSTZIB-OAHLLOKOSA-N	1	0	354.248	1.103	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4nc(C)n(C)c4c3)[C@H]2C1	ZINC001083162322	912361053	/nfs/dbraw/zinc/36/10/53/912361053.db2.gz	QKLKTIWKBYCCLH-RBUKOAKNSA-N	1	0	352.438	1.430	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1	ZINC000673595471	878789711	/nfs/dbraw/zinc/78/97/11/878789711.db2.gz	RLDSKGQAVXRAIT-UHFFFAOYSA-N	1	0	365.518	1.810	20	30		FDEDRO
C=CCCC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@H]1CC[C@@H](C)O1)CC2	ZINC001128054906	912401933	/nfs/dbraw/zinc/40/19/33/912401933.db2.gz	VZGSEBZKDHHUHM-OWCLPIDISA-N	1	0	361.490	1.723	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c[nH]nc2C2CC2)C[C@H]1C	ZINC001106827663	879095582	/nfs/dbraw/zinc/09/55/82/879095582.db2.gz	KPIJRRNKTWKURV-UMVBOHGHSA-N	1	0	359.474	1.276	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(C#N)[nH]2)C1	ZINC001004355479	879185620	/nfs/dbraw/zinc/18/56/20/879185620.db2.gz	PQGOGCCJVMAVHR-JFOHDYCDSA-N	1	0	355.442	1.090	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O	ZINC001083832427	879199517	/nfs/dbraw/zinc/19/95/17/879199517.db2.gz	GKGPDPCZHJGIPL-AQNXPRMDSA-N	1	0	370.497	1.482	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2c(C)cc(C)nc2OC)CC1	ZINC000671966122	912479881	/nfs/dbraw/zinc/47/98/81/912479881.db2.gz	BUUMMGFFSFBHDR-UHFFFAOYSA-N	1	0	374.485	1.480	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cc(C(=O)OC)cc(OC)c2OC)CC1	ZINC000265899467	879666089	/nfs/dbraw/zinc/66/60/89/879666089.db2.gz	CUYWRWKRWZGBFT-UHFFFAOYSA-N	1	0	360.410	1.774	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1	ZINC001004534922	879810291	/nfs/dbraw/zinc/81/02/91/879810291.db2.gz	CAQBTPAWMPFEAC-KSZLIROESA-N	1	0	363.502	1.130	20	30		FDEDRO
C=C(Cl)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1	ZINC001004545511	879842123	/nfs/dbraw/zinc/84/21/23/879842123.db2.gz	CWMLPHJKGCAHCK-HRCADAONSA-N	1	0	369.893	1.475	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@H]2OC)C1	ZINC000946632744	879920153	/nfs/dbraw/zinc/92/01/53/879920153.db2.gz	OXKGNAZEEWJSHQ-IXDOHACOSA-N	1	0	363.502	1.558	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc3ccn(C)c3c2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106835700	879930314	/nfs/dbraw/zinc/93/03/14/879930314.db2.gz	QGOZZJAVPRALHL-RHSMWYFYSA-N	1	0	367.453	1.116	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC000993920555	880156092	/nfs/dbraw/zinc/15/60/92/880156092.db2.gz	KAJZEEVPMYUVGB-UNEWFSDZSA-N	1	0	357.458	1.195	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC2CCC(Nc3cnc(C#N)cn3)CC2)CC[N@@H+]1C	ZINC001060629766	880281030	/nfs/dbraw/zinc/28/10/30/880281030.db2.gz	GNGIDEGXNMWUPV-YQEWQEHLSA-N	1	0	356.474	1.918	20	30		FDEDRO
Cc1cc(C#N)nc(NC2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1	ZINC001060630008	880289928	/nfs/dbraw/zinc/28/99/28/880289928.db2.gz	UUHPIUJDENBRGY-ARAOSMHQSA-N	1	0	356.474	1.836	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C)C1	ZINC000994040468	880503969	/nfs/dbraw/zinc/50/39/69/880503969.db2.gz	VDHGRGXVPLIJQP-BRWVUGGUSA-N	1	0	358.486	1.450	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H](C)C2)nc1	ZINC000994087253	880634374	/nfs/dbraw/zinc/63/43/74/880634374.db2.gz	DZRZZIAOJNVNPQ-JOCBIADPSA-N	1	0	368.481	1.227	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCn2cncn2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106842427	880661564	/nfs/dbraw/zinc/66/15/64/880661564.db2.gz	LTJXJZJRRZRFCL-UYAOXDASSA-N	1	0	365.481	1.794	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)[C@H](C)C3CC3)C[C@H]2C)CC1	ZINC000994134986	880779127	/nfs/dbraw/zinc/77/91/27/880779127.db2.gz	HCIRDNXTZVXVBI-GPMSIDNRSA-N	1	0	359.514	1.588	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)[C@H](C)SC)C[C@H]2C)CC1	ZINC000994137832	880900280	/nfs/dbraw/zinc/90/02/80/880900280.db2.gz	WQJCHLSHMVVGHP-HLLBOEOZSA-N	1	0	365.543	1.294	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2cc(C)c(C)o2)C[C@H]1C	ZINC000994195651	880989068	/nfs/dbraw/zinc/98/90/68/880989068.db2.gz	ZZLGLDKFQQOHIS-NXHRZFHOSA-N	1	0	371.481	1.818	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C[C@H](OC)C(F)(F)F)C[C@H]1C	ZINC001106846269	881007949	/nfs/dbraw/zinc/00/79/49/881007949.db2.gz	UHGHMCQSUYPMEZ-MCIONIFRSA-N	1	0	352.397	1.841	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1	ZINC000915902601	881213217	/nfs/dbraw/zinc/21/32/17/881213217.db2.gz	IRUXDKLILVWHOP-GOSISDBHSA-N	1	0	364.453	1.939	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)NCCNc1ccc(C#N)cn1)Cc1ccccc1	ZINC000915900026	881213555	/nfs/dbraw/zinc/21/35/55/881213555.db2.gz	NWMAOOSCMVUBSS-GOSISDBHSA-N	1	0	366.469	1.837	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCCNc2ccc(C#N)cn2)C1	ZINC000915922622	881234088	/nfs/dbraw/zinc/23/40/88/881234088.db2.gz	WEELGDCBSQHSJB-MRXNPFEDSA-N	1	0	360.462	1.021	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](CCc2cnn(C)c2)C1	ZINC001033837686	883194490	/nfs/dbraw/zinc/19/44/90/883194490.db2.gz	NSOYYFCQHMWAFW-OTWHNJEPSA-N	1	0	360.502	1.867	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2nccs2)C3)CC1	ZINC001005467235	883513510	/nfs/dbraw/zinc/51/35/10/883513510.db2.gz	MFKKZAUSYJDFLF-OAGGEKHMSA-N	1	0	372.494	1.350	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](OC)C2CCCC2)C[C@@H]1n1ccnn1	ZINC001128820903	883719609	/nfs/dbraw/zinc/71/96/09/883719609.db2.gz	IXUQLIYJYBEEGB-FGTMMUONSA-N	1	0	361.490	1.791	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](CC/C=C/c2ccccc2)C[C@@H]1n1ccnn1	ZINC001128829742	883754085	/nfs/dbraw/zinc/75/40/85/883754085.db2.gz	JDPPDRNZRPXJAQ-CQXLNWLRSA-N	1	0	364.453	1.883	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cc(C)on2)[C@@H](n2ccnn2)C1	ZINC001128845825	883831315	/nfs/dbraw/zinc/83/13/15/883831315.db2.gz	UOORXZWIJRKWAI-XKQJLSEDSA-N	1	0	358.446	1.513	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](CC2CC(C)C2)C[C@@H]1n1ccnn1	ZINC001128870513	883906864	/nfs/dbraw/zinc/90/68/64/883906864.db2.gz	UYQMRRMXHSWEDH-HIEASXQVSA-N	1	0	361.490	1.649	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1	ZINC000917902710	883907946	/nfs/dbraw/zinc/90/79/46/883907946.db2.gz	DACUZTPMISYSIF-OAHLLOKOSA-N	1	0	364.490	1.735	20	30		FDEDRO
C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)C1	ZINC001117894084	884026398	/nfs/dbraw/zinc/02/63/98/884026398.db2.gz	FBKQNVWTUGANMC-VQIMIIECSA-N	1	0	358.417	1.183	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3ccc(C#N)cc3)C2)O1	ZINC001034272648	884063764	/nfs/dbraw/zinc/06/37/64/884063764.db2.gz	NYTDMQITFJOTLT-NSISKUIASA-N	1	0	370.497	1.748	20	30		FDEDRO
CN(C)C(=O)OCn1c2c(cc(C#N)c1=O)C[N@@H+](Cc1ccccc1)CC2	ZINC000918095996	884077642	/nfs/dbraw/zinc/07/76/42/884077642.db2.gz	PJQLJLUCOIJWRT-UHFFFAOYSA-N	1	0	366.421	1.934	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2nccc(C)n2)[C@@H](n2ccnn2)C1	ZINC001128945110	884270862	/nfs/dbraw/zinc/27/08/62/884270862.db2.gz	QMPQOZZSFUSKCO-XHSDSOJGSA-N	1	0	355.446	1.387	20	30		FDEDRO
C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1	ZINC001034400374	884304672	/nfs/dbraw/zinc/30/46/72/884304672.db2.gz	VWLWDDMXWBYFEI-OKZBNKHCSA-N	1	0	363.502	1.703	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)c1	ZINC001034401098	884307364	/nfs/dbraw/zinc/30/73/64/884307364.db2.gz	ZDJZVEWAQCPFNK-OKZBNKHCSA-N	1	0	370.453	1.062	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC001034403827	884315715	/nfs/dbraw/zinc/31/57/15/884315715.db2.gz	CPLRWGKGEIUSDJ-CEXWTWQISA-N	1	0	368.481	1.753	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@@H]1O	ZINC001083999471	912825163	/nfs/dbraw/zinc/82/51/63/912825163.db2.gz	RKTDPCADJDQSCG-RTWAWAEBSA-N	1	0	370.493	1.579	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccnc(OC3CCOCC3)c2)CC1	ZINC000918552755	884636640	/nfs/dbraw/zinc/63/66/40/884636640.db2.gz	CNJUKXMSIKPYJR-UHFFFAOYSA-N	1	0	372.469	1.536	20	30		FDEDRO
C=CCOCC(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001078971787	884648488	/nfs/dbraw/zinc/64/84/88/884648488.db2.gz	HLOXENXTACSGDN-IXDOHACOSA-N	1	0	351.491	1.369	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)n1	ZINC000246190410	884876215	/nfs/dbraw/zinc/87/62/15/884876215.db2.gz	WZVDLPYPDZUQCY-KFWWJZLASA-N	1	0	374.489	1.757	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)O1	ZINC000999492563	912890210	/nfs/dbraw/zinc/89/02/10/912890210.db2.gz	BHZBIKAVOIZWOX-AYOQOUSVSA-N	1	0	356.470	1.358	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3C#N)C2)O1	ZINC000999494202	912894228	/nfs/dbraw/zinc/89/42/28/912894228.db2.gz	IFZZTELQBZUWLH-ATZDWAIDSA-N	1	0	356.470	1.358	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](C)OC)C[C@@H]1n1ccnn1	ZINC001129014826	885130752	/nfs/dbraw/zinc/13/07/52/885130752.db2.gz	UKKGACZENFXPKV-YUTCNCBUSA-N	1	0	355.870	1.433	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(C[NH2+][C@H]2CCCNC2=O)cc1	ZINC001034828970	885236910	/nfs/dbraw/zinc/23/69/10/885236910.db2.gz	OBFJSOUZMRVHIM-SQNIBIBYSA-N	1	0	357.454	1.262	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(C[NH2+][C@@H]2CCN(CC)C2=O)cc1	ZINC001034829408	885238673	/nfs/dbraw/zinc/23/86/73/885238673.db2.gz	SJXRDZGLEQGNQQ-QRVBRYPASA-N	1	0	371.481	1.604	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc2nonc2c1	ZINC001035056994	885568865	/nfs/dbraw/zinc/56/88/65/885568865.db2.gz	IBUYZINABPLEPV-RKVPGOIHSA-N	1	0	356.426	1.895	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](n2ccnn2)C1	ZINC001129060071	885621907	/nfs/dbraw/zinc/62/19/07/885621907.db2.gz	HPUOPMQUODGZST-CVEARBPZSA-N	1	0	371.445	1.175	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2onc(C)c2C)[C@@H](n2ccnn2)C1	ZINC001129060405	885628371	/nfs/dbraw/zinc/62/83/71/885628371.db2.gz	QIJWTRDYGZDDKG-MAZHCROVSA-N	1	0	358.446	1.893	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2CCCN(c3ccc(C)nn3)C2)CC1	ZINC000919380469	885673044	/nfs/dbraw/zinc/67/30/44/885673044.db2.gz	GCSRPBIOTBJFFE-KRWDZBQOSA-N	1	0	356.474	1.151	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCCc3nc(C)no3)[C@H](C)C2)cn1	ZINC001106894133	885690349	/nfs/dbraw/zinc/69/03/49/885690349.db2.gz	BMPRIQHVBOULIX-RHSMWYFYSA-N	1	0	367.453	1.685	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC23CC3)[C@@H](n2ccnn2)C1	ZINC001129072099	885695347	/nfs/dbraw/zinc/69/53/47/885695347.db2.gz	UANOXFVPPOHRRB-ZACQAIPSSA-N	1	0	359.474	1.403	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3ccnc3C2)[C@@H](n2ccnn2)C1	ZINC001129084167	885707446	/nfs/dbraw/zinc/70/74/46/885707446.db2.gz	DKJQYFYSWOLJTE-BBWFWOEESA-N	1	0	369.473	1.045	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccnc(OC)c2)[C@@H](n2ccnn2)C1	ZINC001129090019	885716587	/nfs/dbraw/zinc/71/65/87/885716587.db2.gz	RCXIQHFJURZZOQ-UAGQMJEPSA-N	1	0	370.457	1.692	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2nc(C)c(C)nc2C)[C@@H](n2ccnn2)C1	ZINC001129098631	885732127	/nfs/dbraw/zinc/73/21/27/885732127.db2.gz	NVZKKPZFNBNLEP-SJORKVTESA-N	1	0	369.473	1.615	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)CC(F)F)[C@@H](n2ccnn2)C1	ZINC001129107145	885734930	/nfs/dbraw/zinc/73/49/30/885734930.db2.gz	UQCVVOQACLRJKV-MJBXVCDLSA-N	1	0	357.405	1.114	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cc(C3CC3)on2)[C@@H](n2ccnn2)C1	ZINC001129133988	885832787	/nfs/dbraw/zinc/83/27/87/885832787.db2.gz	WCERJZJMDSWLSB-CVEARBPZSA-N	1	0	356.430	1.765	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1n1ccnn1	ZINC001129147473	885874446	/nfs/dbraw/zinc/87/44/46/885874446.db2.gz	BLOLUWTWSDXGCE-BBWFWOEESA-N	1	0	361.490	1.649	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2c(C)cnn2C)[C@@H](n2ccnn2)C1	ZINC001129159080	885891627	/nfs/dbraw/zinc/89/16/27/885891627.db2.gz	CKBBSKLKAYSIHF-SJORKVTESA-N	1	0	371.489	1.722	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(Cc3cccc(C#N)c3)CCO2)CC[N@@H+]1C	ZINC001035376829	885983706	/nfs/dbraw/zinc/98/37/06/885983706.db2.gz	UQSUEAVLRBFCMV-SLFFLAALSA-N	1	0	370.497	1.606	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1n1ccnn1	ZINC001129184173	886076533	/nfs/dbraw/zinc/07/65/33/886076533.db2.gz	BIMAYYIHMYKABV-NXHRZFHOSA-N	1	0	371.489	1.198	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3cccnc32)[C@@H](n2ccnn2)C1	ZINC001129199944	886315817	/nfs/dbraw/zinc/31/58/17/886315817.db2.gz	PQCGOJYZMGATDO-KSZLIROESA-N	1	0	366.469	1.711	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)CC(C)(C)CC#N)C2	ZINC000920275547	886803964	/nfs/dbraw/zinc/80/39/64/886803964.db2.gz	SRHNLOBANIKPDH-ANQUJSFKSA-N	1	0	357.520	1.325	20	30		FDEDRO
CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)CC(C)(C)CC#N)C2)[C@@H]1C(C)C	ZINC000920302422	886841586	/nfs/dbraw/zinc/84/15/86/886841586.db2.gz	IPIWJJCQWGUQQF-XLMAVXFVSA-N	1	0	371.547	1.715	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(C#N)nn2)CC[N@@H+]1C	ZINC001062046668	886937160	/nfs/dbraw/zinc/93/71/60/886937160.db2.gz	KCINANMSMZRGHZ-VVLHAWIVSA-N	1	0	354.458	1.258	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(c2ccc(C)c(NC(=O)CC[NH+](C)C)c2)C1=O	ZINC000804210179	886987855	/nfs/dbraw/zinc/98/78/55/886987855.db2.gz	GZRHDBROQRKFAA-INIZCTEOSA-N	1	0	374.441	1.513	20	30		FDEDRO
C#CCC1(NC(=O)N[C@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)CCOCC1	ZINC000888293919	886988756	/nfs/dbraw/zinc/98/87/56/886988756.db2.gz	KNZQGWKGCRXNDE-ROUUACIJSA-N	1	0	365.518	1.995	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2=O)CC1	ZINC000920599607	887072081	/nfs/dbraw/zinc/07/20/81/887072081.db2.gz	XSDBRGDKVXLEQJ-IBGZPJMESA-N	1	0	368.481	1.887	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)[C@@H](n2ccnn2)C1	ZINC001129271981	887104506	/nfs/dbraw/zinc/10/45/06/887104506.db2.gz	UCKRJMQUWJWTNL-TVFCKZIOSA-N	1	0	361.490	1.504	20	30		FDEDRO
C=CCNc1ncc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)s1	ZINC000372073443	887167209	/nfs/dbraw/zinc/16/72/09/887167209.db2.gz	WYWKYMQGRPZBIL-XJKSGUPXSA-N	1	0	374.514	2.287	20	30		FDEDRO
N#Cc1cccc(C[NH2+]CCNC(=O)[C@@H]2CCO[C@H]2c2ccncc2)c1	ZINC001127547539	887271955	/nfs/dbraw/zinc/27/19/55/887271955.db2.gz	NEAQIWSQYWYJGY-MOPGFXCFSA-N	1	0	350.422	1.937	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000922950567	887346752	/nfs/dbraw/zinc/34/67/52/887346752.db2.gz	NOTDXLFUGKZPSU-QGZVFWFLSA-N	1	0	370.497	1.918	20	30		FDEDRO
CN1CC[NH+](CCC(C)(C)NC(=O)Nc2ccc(C(F)(F)F)nn2)CC1	ZINC000329971201	887638242	/nfs/dbraw/zinc/63/82/42/887638242.db2.gz	YHNKENXFFDIOAW-UHFFFAOYSA-N	1	0	374.411	2.237	20	30		FDEDRO
N#Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1	ZINC000363163181	887644474	/nfs/dbraw/zinc/64/44/74/887644474.db2.gz	UBNUXFZLKGZDGZ-RDJZCZTQSA-N	1	0	353.382	1.909	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)COc1ccc2ccc(=O)oc2c1	ZINC000064362059	888085051	/nfs/dbraw/zinc/08/50/51/888085051.db2.gz	YIZSCHGVNHVZMV-UHFFFAOYSA-N	1	0	357.410	1.866	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](C[C@H](O)c3ccc(CC)cc3)C[C@@H]2O)C1	ZINC001083762407	888101543	/nfs/dbraw/zinc/10/15/43/888101543.db2.gz	IVAHCNWMYMXALT-QYZOEREBSA-N	1	0	358.482	1.800	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](CCCc2cccc(C)c2)C[C@H]1OC	ZINC001212262555	888167916	/nfs/dbraw/zinc/16/79/16/888167916.db2.gz	RXZINKLRBQIRAX-WOJBJXKFSA-N	1	0	358.482	1.783	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1	ZINC000938324105	888385934	/nfs/dbraw/zinc/38/59/34/888385934.db2.gz	NWJCKKWUTCVTPF-VBQJREDUSA-N	1	0	358.442	1.069	20	30		FDEDRO
C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	ZINC001089658478	888748694	/nfs/dbraw/zinc/74/86/94/888748694.db2.gz	LAICSTFLVYZFAV-MJBXVCDLSA-N	1	0	362.392	1.573	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1	ZINC000938546298	888768767	/nfs/dbraw/zinc/76/87/67/888768767.db2.gz	ULUQOHSQQCVCIQ-AOIWGVFYSA-N	1	0	363.502	1.513	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1	ZINC000938586565	888827158	/nfs/dbraw/zinc/82/71/58/888827158.db2.gz	AGVYAMWBWYDLMQ-AOIWGVFYSA-N	1	0	363.502	1.513	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1	ZINC000938603558	888930803	/nfs/dbraw/zinc/93/08/03/888930803.db2.gz	CLEJHWJHRIVGKE-ZACQAIPSSA-N	1	0	361.486	1.123	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)CN1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1	ZINC000923378184	889050965	/nfs/dbraw/zinc/05/09/65/889050965.db2.gz	RPWYCXPFDMYKCE-VDZJLULYSA-N	1	0	355.413	1.864	20	30		FDEDRO
CCNS(=O)(=O)[C@@H]1CCN(Cn2c(C)nnc2-c2cccc(C#N)c2)C1	ZINC000179939369	889067166	/nfs/dbraw/zinc/06/71/66/889067166.db2.gz	PHKIRBARMYPVDX-MRXNPFEDSA-N	1	0	374.470	1.096	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCCc3ccccc3C)C[C@@H]2O)c1	ZINC001083765467	889088499	/nfs/dbraw/zinc/08/84/99/889088499.db2.gz	FZEIJTALSFLQHV-RTWAWAEBSA-N	1	0	363.461	1.779	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCn1cncn1	ZINC001089698789	889174446	/nfs/dbraw/zinc/17/44/46/889174446.db2.gz	CGNWMKFRWYNLOM-ZACQAIPSSA-N	1	0	361.490	1.476	20	30		FDEDRO
Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1	ZINC000330194693	889403311	/nfs/dbraw/zinc/40/33/11/889403311.db2.gz	BFPSKJBQAXFKQK-AWEZNQCLSA-N	1	0	358.450	1.911	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CC[NH+]([C@H](CC)C(N)=O)CC1	ZINC001006109391	889462447	/nfs/dbraw/zinc/46/24/47/889462447.db2.gz	RYZPNQDHWZZDLB-BBWFWOEESA-N	1	0	351.491	1.544	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccc(Cl)cc1	ZINC001127608794	889727210	/nfs/dbraw/zinc/72/72/10/889727210.db2.gz	HMGAMAOSXVXMAL-CVEARBPZSA-N	1	0	365.861	1.966	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)C1	ZINC000923553250	889758030	/nfs/dbraw/zinc/75/80/30/889758030.db2.gz	JDJPMTMBLQYBPO-INIZCTEOSA-N	1	0	369.469	1.131	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)C1	ZINC000923556434	889811736	/nfs/dbraw/zinc/81/17/36/889811736.db2.gz	XCJMLQYTYGCDSN-SLFFLAALSA-N	1	0	371.529	1.448	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccccc2OC)C[C@H]1C	ZINC001106912309	889884813	/nfs/dbraw/zinc/88/48/13/889884813.db2.gz	UDBQSINTEZOBTA-BZUAXINKSA-N	1	0	357.454	1.131	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)C1	ZINC000923573298	889904746	/nfs/dbraw/zinc/90/47/46/889904746.db2.gz	LPCNPOUIPHDMIY-CYBMUJFWSA-N	1	0	362.499	1.884	20	30		FDEDRO
C[C@H](NC(=O)[C@@H]([NH3+])CO)c1nc(-c2ccc(C#N)c3ccccc23)no1	ZINC001212305430	889985511	/nfs/dbraw/zinc/98/55/11/889985511.db2.gz	PAGZNBDPYURSDN-BONVTDFDSA-N	1	0	351.366	1.258	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H](NC(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)C1	ZINC000923589981	889997023	/nfs/dbraw/zinc/99/70/23/889997023.db2.gz	NYJPHKHDSURGNH-IWAYRVGRSA-N	1	0	367.453	1.533	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c(F)cccc2Cl)C[C@H]1C	ZINC001106912555	890065203	/nfs/dbraw/zinc/06/52/03/890065203.db2.gz	IBXHTMLDIOHOIP-CHWSQXEVSA-N	1	0	365.836	1.526	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@@H]1n1ccnn1	ZINC001129288979	890065538	/nfs/dbraw/zinc/06/55/38/890065538.db2.gz	NJEANRUOXDDVAV-ZACQAIPSSA-N	1	0	361.490	1.791	20	30		FDEDRO
C#CCNC(=O)CN1C[C@@H](NC(=O)CCCCC(C)(C)C)[C@H](OC)C1	ZINC001212322640	890128922	/nfs/dbraw/zinc/12/89/22/890128922.db2.gz	DVRMHBNNZUXNED-HZPDHXFCSA-N	1	0	351.491	1.158	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CCN(c3cncc(C#N)n3)C2)CC[N@@H+]1C	ZINC001063146919	890244174	/nfs/dbraw/zinc/24/41/74/890244174.db2.gz	XVMMTNWYRSQKPZ-IXDOHACOSA-N	1	0	356.474	1.506	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNC(=O)[C@@H]2CCC[N@H+]2CCC)CCC1	ZINC001063335531	890454780	/nfs/dbraw/zinc/45/47/80/890454780.db2.gz	XHUGTDQXDNOYOE-IKGGRYGDSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1CN([C@H](C)C(=O)N2CCCCC2)C[C@H]1OC	ZINC001212341234	890463451	/nfs/dbraw/zinc/46/34/51/890463451.db2.gz	XMNSAEXYPGTMBS-BRWVUGGUSA-N	1	0	365.518	1.805	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001006179479	890512517	/nfs/dbraw/zinc/51/25/17/890512517.db2.gz	DGFLPQVZCLFRQN-ZMSDIMECSA-N	1	0	358.486	1.591	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccn(C)c(=O)c2)CC1	ZINC001001845696	891430319	/nfs/dbraw/zinc/43/03/19/891430319.db2.gz	RKAJRKKJJKRGRW-MSOLQXFVSA-N	1	0	359.470	1.305	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccc(OC)c(-n2cnnn2)c1	ZINC000181752433	891436443	/nfs/dbraw/zinc/43/64/43/891436443.db2.gz	DFINOCQMFFHCCR-CQSZACIVSA-N	1	0	357.414	1.561	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccnn2CCOC)[C@H](OC)C1	ZINC001212444352	891933796	/nfs/dbraw/zinc/93/37/96/891933796.db2.gz	SMUUZTQZXXHTER-BFYDXBDKSA-N	1	0	350.463	1.313	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2ccncc2)c1	ZINC001127670995	891971537	/nfs/dbraw/zinc/97/15/37/891971537.db2.gz	ZZXMBPZYFGAPAH-RBUKOAKNSA-N	1	0	362.433	1.511	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(C#N)c1)C2	ZINC001002141509	892027405	/nfs/dbraw/zinc/02/74/05/892027405.db2.gz	LRYVWSSNXVTQAL-BDXSIMOUSA-N	1	0	369.469	1.622	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1	ZINC000940301683	892228999	/nfs/dbraw/zinc/22/89/99/892228999.db2.gz	SGIVJEPBTNETDN-GVDBMIGSSA-N	1	0	358.486	1.593	20	30		FDEDRO
C[NH+](C)CCN1CCC(NC(=O)Nc2nc(Cl)c(C#N)s2)CC1	ZINC000888406495	892472608	/nfs/dbraw/zinc/47/26/08/892472608.db2.gz	CAXBRPZXLONHFF-UHFFFAOYSA-N	1	0	356.883	1.816	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(Cc3ccc(C#N)s3)C[C@H]2O)CC[N@@H+]1C	ZINC001077571901	892521056	/nfs/dbraw/zinc/52/10/56/892521056.db2.gz	XUJKFHUFGGCJSD-WRFANHODSA-N	1	0	362.499	1.011	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)ccc1F	ZINC000921913542	892797159	/nfs/dbraw/zinc/79/71/59/892797159.db2.gz	ZZRILMSGBOAASV-CQSZACIVSA-N	1	0	353.419	1.229	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CNS(=O)(=O)CCCC)C[C@H]1C	ZINC001106927262	892936036	/nfs/dbraw/zinc/93/60/36/892936036.db2.gz	GNCBEMDYFCVZQC-TZMCWYRMSA-N	1	0	365.927	1.143	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1	ZINC000940720150	893008852	/nfs/dbraw/zinc/00/88/52/893008852.db2.gz	CVMGVOCYWHEPHS-IKGGRYGDSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000940720472	893011628	/nfs/dbraw/zinc/01/16/28/893011628.db2.gz	VWFRLSMJWNGIHX-NJAFHUGGSA-N	1	0	368.437	1.646	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1	ZINC000940744950	893071257	/nfs/dbraw/zinc/07/12/57/893071257.db2.gz	MLCJYHFXUWMBAI-NCOADZHNSA-N	1	0	351.491	1.271	20	30		FDEDRO
C=CCn1c(-c2ccccn2)nnc1N1CC[NH+](C2CCOCC2)CC1	ZINC000282319125	893135424	/nfs/dbraw/zinc/13/54/24/893135424.db2.gz	QCKYEDJYCVGBBG-UHFFFAOYSA-N	1	0	354.458	1.827	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1	ZINC001002525899	893143100	/nfs/dbraw/zinc/14/31/00/893143100.db2.gz	BNXLTUVRIVQPPW-KURKYZTESA-N	1	0	363.502	1.513	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cn3c(n2)C[C@H](OC)CC3)[C@H](OC)C1	ZINC001212450998	893390256	/nfs/dbraw/zinc/39/02/56/893390256.db2.gz	JISZRTLDIDYBML-BFYDXBDKSA-N	1	0	362.474	1.240	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1	ZINC001002622500	893433048	/nfs/dbraw/zinc/43/30/48/893433048.db2.gz	ZWYWUFCOPBRFCY-KURKYZTESA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)CC1(C)C	ZINC000941093352	893846883	/nfs/dbraw/zinc/84/68/83/893846883.db2.gz	NEIVTFPVCWKKMP-BQFCYCMXSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)C[C@H]1C	ZINC001106949256	893896899	/nfs/dbraw/zinc/89/68/99/893896899.db2.gz	WEFRNYDDKRKSTM-RBSFLKMASA-N	1	0	364.490	1.356	20	30		FDEDRO
CCn1cc(CC[N@@H+]2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)cn1	ZINC001084293718	913841280	/nfs/dbraw/zinc/84/12/80/913841280.db2.gz	UFKKEVTXRIZTJL-CRAIPNDOSA-N	1	0	352.442	1.492	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccc(-c3cnco3)cc2)[C@H](OC)C1	ZINC001212467322	894266386	/nfs/dbraw/zinc/26/63/86/894266386.db2.gz	WGSJXFBGIKFFHK-IEBWSBKVSA-N	1	0	371.437	1.973	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(c3ccccc3)CC2)C[C@H]1C	ZINC001106952394	894315957	/nfs/dbraw/zinc/31/59/57/894315957.db2.gz	DRHYCGMZSLATRN-IAGOWNOFSA-N	1	0	353.466	1.152	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000672637346	894348036	/nfs/dbraw/zinc/34/80/36/894348036.db2.gz	FGRQGNCNYNXGNJ-HOTGVXAUSA-N	1	0	350.507	1.132	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(C)nn(CC(C)C)c1C	ZINC000922022875	894399996	/nfs/dbraw/zinc/39/99/96/894399996.db2.gz	CJUKPTAPELUMIZ-UHFFFAOYSA-N	1	0	366.531	1.874	20	30		FDEDRO
C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)[C@H]3OCC[C@H]3C(C)C)CC2)C1=O	ZINC001002835950	894420073	/nfs/dbraw/zinc/42/00/73/894420073.db2.gz	QMZQHUYQDZYWTE-KSZLIROESA-N	1	0	363.502	1.415	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(F)c(OC)cc1F	ZINC000922023302	894422731	/nfs/dbraw/zinc/42/27/31/894422731.db2.gz	BZIUNMMDQBLILK-UHFFFAOYSA-N	1	0	358.410	1.692	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C	ZINC000922027035	894546936	/nfs/dbraw/zinc/54/69/36/894546936.db2.gz	XYNBWILEQOSNBP-UHFFFAOYSA-N	1	0	365.455	1.930	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CCC(=O)N2CCOCC2)C[C@H]1C	ZINC001106955338	894759458	/nfs/dbraw/zinc/75/94/58/894759458.db2.gz	AOYBZRZHUQVJRM-UKRRQHHQSA-N	1	0	357.882	1.062	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(F)cc(F)c2)C[C@H]1C	ZINC001106955487	894772272	/nfs/dbraw/zinc/77/22/72/894772272.db2.gz	FKNDYEBNMQRUIO-TZMCWYRMSA-N	1	0	351.397	1.565	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc3ccccc3[nH]2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106960618	895574648	/nfs/dbraw/zinc/57/46/48/895574648.db2.gz	WEFCYXMECCAPGS-UKRRQHHQSA-N	1	0	353.426	1.105	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CCOC2)C1)C(C)C	ZINC000671082034	896162044	/nfs/dbraw/zinc/16/20/44/896162044.db2.gz	MPCQZCBGKIONMR-FXAWDEMLSA-N	1	0	363.502	1.440	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@@H+](CC(=C)C)C2)nn1	ZINC000999986756	896518608	/nfs/dbraw/zinc/51/86/08/896518608.db2.gz	KHLXAVLTYCCDHI-KSZLIROESA-N	1	0	359.474	1.698	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cccc(NC(N)=O)c2)C[C@H]1C	ZINC001106967370	896563533	/nfs/dbraw/zinc/56/35/33/896563533.db2.gz	XLIFXAVHRNHCCY-GDBMZVCRSA-N	1	0	360.458	1.678	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2cnc3n2CCOC3)[C@H](OC)C1	ZINC001212426213	896741037	/nfs/dbraw/zinc/74/10/37/896741037.db2.gz	UILWZKZTFIUYDP-NVXWUHKLSA-N	1	0	362.474	1.589	20	30		FDEDRO
C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)CC2(CCOCC2)C1	ZINC001089947309	896805499	/nfs/dbraw/zinc/80/54/99/896805499.db2.gz	BRRLXEPGFSRVBI-GVDBMIGSSA-N	1	0	356.470	1.144	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNC(=O)c2ccn(-c3cccc(C#N)c3)n2)CCCO1	ZINC000282304608	896929024	/nfs/dbraw/zinc/92/90/24/896929024.db2.gz	LLFJYBZCJXASAJ-MRXNPFEDSA-N	1	0	367.453	1.975	20	30		FDEDRO
C=C(Br)CN1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1	ZINC001084349464	914137625	/nfs/dbraw/zinc/13/76/25/914137625.db2.gz	NAPQKULCYNZHOF-BZUAXINKSA-N	1	0	368.319	1.770	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCc3cnn(CC)c3)C[C@H]21	ZINC001084353265	914160545	/nfs/dbraw/zinc/16/05/45/914160545.db2.gz	AYMMBEIZCXJBMM-WTGUMLROSA-N	1	0	372.513	1.959	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)n2nc(C)cc2C)C[C@H]1C	ZINC001106986402	897600844	/nfs/dbraw/zinc/60/08/44/897600844.db2.gz	NHZIEBRAWRWEHH-AYOQOUSVSA-N	1	0	360.502	1.785	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(Cc1cccnc1)C[C@H]1CC[N@@H+](CCO)C1	ZINC000995268238	897656375	/nfs/dbraw/zinc/65/63/75/897656375.db2.gz	NTGQDSXRXGHWIG-OTWHNJEPSA-N	1	0	359.470	1.316	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc3c(c2)nnn3C)C1	ZINC001032046905	897777981	/nfs/dbraw/zinc/77/79/81/897777981.db2.gz	HEDFGTYRMHTYRF-LPHOPBHVSA-N	1	0	369.469	1.498	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@H]1O	ZINC001078082078	897907698	/nfs/dbraw/zinc/90/76/98/897907698.db2.gz	CBCQFXQKDBYGHG-VAMGGRTRSA-N	1	0	356.466	1.331	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3ccc(C4CC4)cn3)C2)cc1	ZINC001078103462	898009319	/nfs/dbraw/zinc/00/93/19/898009319.db2.gz	JCQIMOCSNYPXMG-WOJBJXKFSA-N	1	0	362.433	1.806	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1	ZINC000942985513	898245710	/nfs/dbraw/zinc/24/57/10/898245710.db2.gz	JOCSQLKRLCQURE-ZACQAIPSSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C	ZINC001078238082	898469943	/nfs/dbraw/zinc/46/99/43/898469943.db2.gz	BCXGRALXEIJYMD-FJIDUMEYSA-N	1	0	367.534	1.955	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2c(C)noc2C)C1	ZINC001078471968	898799806	/nfs/dbraw/zinc/79/98/06/898799806.db2.gz	KASFOZUSYQXMMJ-JZXOWHBKSA-N	1	0	363.458	1.590	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2nccnc2C)C1	ZINC001078474075	898808878	/nfs/dbraw/zinc/80/88/78/898808878.db2.gz	SQHUMLFASJSCIM-NUJGCVRESA-N	1	0	360.458	1.083	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cccnc2)C1	ZINC001078486530	898844469	/nfs/dbraw/zinc/84/44/69/898844469.db2.gz	YENLEJRVSNHVTM-QYZOEREBSA-N	1	0	359.470	1.770	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H](OC)C1	ZINC000943417480	898850055	/nfs/dbraw/zinc/85/00/55/898850055.db2.gz	BZKJGEHSHWYCEV-ZACQAIPSSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2	ZINC001078538141	898908478	/nfs/dbraw/zinc/90/84/78/898908478.db2.gz	NNOILJIWKZQNRU-BBWFWOEESA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCn1cccc1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C2	ZINC001001694660	899184620	/nfs/dbraw/zinc/18/46/20/899184620.db2.gz	HOEXHEXLAHOBPA-WCXIOVBPSA-N	1	0	356.470	1.630	20	30		FDEDRO
C=C(C)CC[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC001001831424	899485673	/nfs/dbraw/zinc/48/56/73/899485673.db2.gz	WREZPQVEVGGWMM-SJORKVTESA-N	1	0	351.491	1.417	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2ccccc2)C[C@H]1C	ZINC001107012415	899538683	/nfs/dbraw/zinc/53/86/83/899538683.db2.gz	RTCFLNLWDKWKGG-ZHALLVOQSA-N	1	0	355.482	1.299	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C23CCC(CC2)CC3)C[C@H]1C	ZINC001107014460	899544613	/nfs/dbraw/zinc/54/46/13/899544613.db2.gz	UDBJDDQFQIWEGA-XWMDDUBWSA-N	1	0	359.514	1.779	20	30		FDEDRO
C=C[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC2)[C@H](C)C1)c1ccccc1	ZINC001107018924	899558680	/nfs/dbraw/zinc/55/86/80/899558680.db2.gz	QUSCXWXCNFPFMT-QRQLOZEOSA-N	1	0	355.482	1.873	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCC(F)(F)F)C[C@H]1OC	ZINC001212349081	899700599	/nfs/dbraw/zinc/70/05/99/899700599.db2.gz	JRXYDRBJBHMRID-BFHYXJOUSA-N	1	0	368.396	1.098	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001084417983	914380722	/nfs/dbraw/zinc/38/07/22/914380722.db2.gz	PGUWJRGJIDMIBJ-QHAWAJNXSA-N	1	0	362.477	1.689	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCc3ccns3)C[C@H]21	ZINC001084417815	914376645	/nfs/dbraw/zinc/37/66/45/914376645.db2.gz	HAPVGJCBMUJHPK-BPQIPLTHSA-N	1	0	358.511	1.316	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CC(F)(F)C3)C[C@H]21	ZINC001084417787	914376832	/nfs/dbraw/zinc/37/68/32/914376832.db2.gz	DYWJLZUNUOWIDI-IXDOHACOSA-N	1	0	351.441	1.662	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCn3nc(C)cc3C)C[C@H]21	ZINC001084417903	914378379	/nfs/dbraw/zinc/37/83/79/914378379.db2.gz	LCOZSHDGSKRUBH-HSALFYBXSA-N	1	0	369.513	1.130	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCO[C@H]3c3cnn(C)c3)[C@@H]2C1	ZINC001084418694	914386558	/nfs/dbraw/zinc/38/65/58/914386558.db2.gz	NPAODZOWBYMXGI-OWYHZJEWSA-N	1	0	356.470	1.444	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC000944174931	899946055	/nfs/dbraw/zinc/94/60/55/899946055.db2.gz	AIFVAKIQBPODKH-NSISKUIASA-N	1	0	367.493	1.658	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C[NH2+]CCCOCC)[C@H](C)C1	ZINC001107036209	899995854	/nfs/dbraw/zinc/99/58/54/899995854.db2.gz	IQNVYDLVQXBXCQ-HZPDHXFCSA-N	1	0	368.522	1.361	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1	ZINC000944306316	900120334	/nfs/dbraw/zinc/12/03/34/900120334.db2.gz	BBXUITIQEDCKND-NXHRZFHOSA-N	1	0	368.437	1.646	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cc(C)on2)[C@H](C)C1	ZINC001107059169	900311468	/nfs/dbraw/zinc/31/14/68/900311468.db2.gz	VUWSWRLYLATHAW-UKRRQHHQSA-N	1	0	364.446	1.198	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCCCOCC)C[C@H]1C	ZINC001107061387	900413682	/nfs/dbraw/zinc/41/36/82/900413682.db2.gz	XXRAZLTXAVYDDN-KZNAEPCWSA-N	1	0	367.534	1.958	20	30		FDEDRO
C[C@@H]1CN(C(=O)COC[C@@H]2CCCO2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001107090413	900805290	/nfs/dbraw/zinc/80/52/90/900805290.db2.gz	KKVJBQSERPMVAE-AHRSYUTCSA-N	1	0	371.481	1.938	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccn(CC)n2)[C@@H](n2ccnn2)C1	ZINC001129300756	900977671	/nfs/dbraw/zinc/97/76/71/900977671.db2.gz	GTWULDIRKHZRSA-UAGQMJEPSA-N	1	0	357.462	1.505	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001006189838	901281189	/nfs/dbraw/zinc/28/11/89/901281189.db2.gz	XTGBQBYZOFEBEH-JXXFODFXSA-N	1	0	367.493	1.514	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cccs2)C3)CC1	ZINC000995676327	901489349	/nfs/dbraw/zinc/48/93/49/901489349.db2.gz	POCZGXJUASQOFH-IKGGRYGDSA-N	1	0	371.506	1.955	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CCN(c4nccnc4C#N)C3)C2)CC[N@@H+]1C	ZINC001064650234	901519575	/nfs/dbraw/zinc/51/95/75/901519575.db2.gz	RXQWCRHXRWHBDG-VPWXQRGCSA-N	1	0	368.485	1.507	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1CC[C@H]2CN(c3cc(C#N)nc(CC)n3)C[C@H]21	ZINC001090328082	901710768	/nfs/dbraw/zinc/71/07/68/901710768.db2.gz	WHRRWVZTCOLMQV-GOEBONIOSA-N	1	0	356.474	1.290	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[NH+](CCCCCNC(C)=O)CC1	ZINC001079153889	901947281	/nfs/dbraw/zinc/94/72/81/901947281.db2.gz	FPJVOPBARMIIFV-OALUTQOASA-N	1	0	365.518	1.808	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cn(CC)cn2)C1	ZINC001079146275	901964111	/nfs/dbraw/zinc/96/41/11/901964111.db2.gz	BZIFNRZMWPFILL-WOJBJXKFSA-N	1	0	366.465	1.614	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2[nH]cnc2C)C1	ZINC001079147330	901973520	/nfs/dbraw/zinc/97/35/20/901973520.db2.gz	KJBRZLHXHCDJNU-QZTJIDSGSA-N	1	0	352.438	1.429	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CS(C)(=O)=O)CC[C@H]1c1ccc(F)cc1	ZINC001079149399	901979230	/nfs/dbraw/zinc/97/92/30/901979230.db2.gz	QFOGMRIEUKCQGQ-JKSUJKDBSA-N	1	0	354.447	1.330	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cncn2C)C1	ZINC001079138006	902015381	/nfs/dbraw/zinc/01/53/81/902015381.db2.gz	HVTUTZRTSZGNBY-RTBURBONSA-N	1	0	354.454	1.684	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]Cc2cncn2C)C1	ZINC001079174974	902057875	/nfs/dbraw/zinc/05/78/75/902057875.db2.gz	OYKYDAWWXPFLAK-DOPJRALCSA-N	1	0	355.417	1.803	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)C2)CC[C@H]1c1ccc(F)cc1	ZINC001079161371	902085587	/nfs/dbraw/zinc/08/55/87/902085587.db2.gz	LNPIXZBXMQARLF-ZYSHUDEJSA-N	1	0	371.456	1.601	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCCCCC[NH+]1CCN(C(=O)[C@]23C[C@H]2CCC3)CC1	ZINC001079166090	902096581	/nfs/dbraw/zinc/09/65/81/902096581.db2.gz	UPOWPPCPKUMWPO-SQGPQFPESA-N	1	0	360.502	1.767	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCC[NH+]1CCN(C(=O)C2CC2)CC1	ZINC001079165792	902096754	/nfs/dbraw/zinc/09/67/54/902096754.db2.gz	HKLBNOAYBRVPIH-MSOLQXFVSA-N	1	0	363.502	1.418	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCN(C(=O)CC)C2)C[C@H]1c1cccc(F)c1	ZINC001079205904	902111136	/nfs/dbraw/zinc/11/11/36/902111136.db2.gz	KRRPTLPXEXQGBU-YTQUADARSA-N	1	0	371.456	1.601	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3n[nH]nc3C2)C[C@H]1c1cccc(F)c1	ZINC001079207205	902114627	/nfs/dbraw/zinc/11/46/27/902114627.db2.gz	SZJKHFYEVXMNGF-SIXWZSSISA-N	1	0	367.428	1.266	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C2CCN(C(C)=O)CC2)C[C@H]1c1cccc(F)c1	ZINC001079209948	902117359	/nfs/dbraw/zinc/11/73/59/902117359.db2.gz	PPBNMAFWZWYPDQ-VQTJNVASSA-N	1	0	371.456	1.601	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3nncn3C2)C[C@H]1c1cccc(F)c1	ZINC001079210958	902120505	/nfs/dbraw/zinc/12/05/05/902120505.db2.gz	KALGJJWGTSLKMT-RYQLBKOJSA-N	1	0	369.444	1.750	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1c1cccc(F)c1	ZINC001079183563	902125706	/nfs/dbraw/zinc/12/57/06/902125706.db2.gz	JHHXETBGIWUZNA-BVPBIZIASA-N	1	0	359.445	1.810	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nc(C)c(C)[nH]c2=O)C[C@H]1c1cccc(F)c1	ZINC001079188469	902136919	/nfs/dbraw/zinc/13/69/19/902136919.db2.gz	AKMFGGFLJZFBEK-DLBZAZTESA-N	1	0	368.412	1.357	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)S(C)(=O)=O)C[C@H]1c1cccc(F)c1	ZINC001079189609	902141674	/nfs/dbraw/zinc/14/16/74/902141674.db2.gz	UGWILVXFZZVMPK-XOKHGSTOSA-N	1	0	368.474	1.719	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccn3nnnc3c2)C[C@H]1c1cccc(F)c1	ZINC001079193579	902152940	/nfs/dbraw/zinc/15/29/40/902152940.db2.gz	KQCWTCGSCVSBRX-DLBZAZTESA-N	1	0	366.400	1.647	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)CC3OCCCO3)[C@@H]3COC[C@@H]32)CC1	ZINC001079238344	902182439	/nfs/dbraw/zinc/18/24/39/902182439.db2.gz	UWSBXFHWPTTZRR-DLBZAZTESA-N	1	0	362.470	1.102	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3nn(C)cc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079241179	902191708	/nfs/dbraw/zinc/19/17/08/902191708.db2.gz	NPNVQOLEDUHZKZ-DLBZAZTESA-N	1	0	356.470	1.305	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cccc4n[nH]nc43)[C@@H]3COC[C@@H]32)CC1	ZINC001079242370	902193440	/nfs/dbraw/zinc/19/34/40/902193440.db2.gz	VYKMMJZHKINDHE-DOTOQJQBSA-N	1	0	365.437	1.144	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCc4n[nH]cc43)[C@@H]3COC[C@@H]32)CC1	ZINC001079242372	902193545	/nfs/dbraw/zinc/19/35/45/902193545.db2.gz	WCOZWMQNJSWDNJ-VDZJLULYSA-N	1	0	370.497	1.955	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ccnn3C(F)F)[C@@H]3COC[C@@H]32)CC1	ZINC001079242013	902195244	/nfs/dbraw/zinc/19/52/44/902195244.db2.gz	NMEDLMDNUZBFTN-DZGCQCFKSA-N	1	0	364.396	1.464	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cnc(C)cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079220940	902219354	/nfs/dbraw/zinc/21/93/54/902219354.db2.gz	DCPXCPXFPTUEJX-FUHWJXTLSA-N	1	0	354.454	1.361	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cn(C(C)(C)C)nn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079244891	902250733	/nfs/dbraw/zinc/25/07/33/902250733.db2.gz	LFWJYTLPGVFVQC-DOTOQJQBSA-N	1	0	371.485	1.219	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cccc(CC)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079246212	902257262	/nfs/dbraw/zinc/25/72/62/902257262.db2.gz	WEPNKROHPUKKTH-PKOBYXMFSA-N	1	0	353.466	1.830	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3coc(OCC)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079250287	902269677	/nfs/dbraw/zinc/26/96/77/902269677.db2.gz	WJAMQHCCSQBQHS-GOEBONIOSA-N	1	0	359.426	1.260	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)CCc3cncc(C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079251186	902270415	/nfs/dbraw/zinc/27/04/15/902270415.db2.gz	KLUVAPHBCNOYFI-VQTJNVASSA-N	1	0	367.493	1.895	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cnc(Cl)n3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079251303	902271828	/nfs/dbraw/zinc/27/18/28/902271828.db2.gz	PMDPVPCFAMWSDM-DZGCQCFKSA-N	1	0	362.861	1.260	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)Cn3cncc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079251298	902272477	/nfs/dbraw/zinc/27/24/77/902272477.db2.gz	PJHADIBCGOPIEO-ZWKOTPCHSA-N	1	0	356.470	1.154	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)CCc3nccn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079253692	902277426	/nfs/dbraw/zinc/27/74/26/902277426.db2.gz	CPANTRYBBLEYSK-ZWKOTPCHSA-N	1	0	370.497	1.315	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3c[nH]c(=O)n3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079254869	902282253	/nfs/dbraw/zinc/28/22/53/902282253.db2.gz	ZMOSCOGHDSEDQE-GOEBONIOSA-N	1	0	360.458	1.255	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCc4cccnc43)[C@@H]3COC[C@@H]32)CC1	ZINC001079257197	902289736	/nfs/dbraw/zinc/28/97/36/902289736.db2.gz	ZGPDGBGQEWEHKW-GBESFXJTSA-N	1	0	365.477	1.684	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)CCc3cc(C)on3)[C@@H]3COC[C@@H]32)CC1	ZINC001079259902	902296239	/nfs/dbraw/zinc/29/62/39/902296239.db2.gz	UKMAISCIIJURGG-RBUKOAKNSA-N	1	0	371.481	1.878	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(CC[NH+](CCCF)CC2)[C@H]2COC[C@H]21	ZINC001079261738	902300963	/nfs/dbraw/zinc/30/09/63/902300963.db2.gz	FWOQABSYBLYDJQ-XDNAFOTISA-N	1	0	366.477	1.877	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)CC[C@H]3CCCCO3)[C@@H]3COC[C@@H]32)CC1	ZINC001079262786	902301829	/nfs/dbraw/zinc/30/18/29/902301829.db2.gz	AWNGBJQYHAAUBJ-CEXWTWQISA-N	1	0	360.498	1.908	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@@H]3COC[C@@H]32)CC1	ZINC001079262973	902303421	/nfs/dbraw/zinc/30/34/21/902303421.db2.gz	GEDLJBFJQFKDQF-FQBWVUSXSA-N	1	0	358.482	1.517	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc(C(C)C)no3)[C@@H]3COC[C@@H]32)CC1	ZINC001079264059	902309227	/nfs/dbraw/zinc/30/92/27/902309227.db2.gz	XQIAKMTVWSSZQL-DOTOQJQBSA-N	1	0	357.454	1.984	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cn(CCC=C)nn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079265381	902310942	/nfs/dbraw/zinc/31/09/42/902310942.db2.gz	GUUAUMFQOOLSGQ-FUHWJXTLSA-N	1	0	369.469	1.040	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3coc(CCC)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079270386	902330180	/nfs/dbraw/zinc/33/01/80/902330180.db2.gz	PTBWGTGKRHJSII-DOTOQJQBSA-N	1	0	357.454	1.813	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@@H](C)Oc3ccccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079270504	902330306	/nfs/dbraw/zinc/33/03/06/902330306.db2.gz	VWORMFXCBJDXMS-FGTMMUONSA-N	1	0	371.481	1.974	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ncccc3OC)[C@@H]3COC[C@@H]32)CC1	ZINC001079271578	902333707	/nfs/dbraw/zinc/33/37/07/902333707.db2.gz	WSISVZLTHOWLBP-JKSUJKDBSA-N	1	0	355.438	1.276	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3ccnc4[nH]cnc43)[C@@H]3COC[C@@H]32)CC1	ZINC001079243088	902340342	/nfs/dbraw/zinc/34/03/42/902340342.db2.gz	KHBQOGALBDTPCL-JKSUJKDBSA-N	1	0	367.453	1.697	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3cncn3C2)C[C@H]1c1ccccc1F	ZINC001079300568	902345993	/nfs/dbraw/zinc/34/59/93/902345993.db2.gz	OHDSWJBUGWLHCZ-MOXGXCLJSA-N	1	0	366.440	1.802	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2CC)C[C@H]1c1ccccc1F	ZINC001079300492	902346096	/nfs/dbraw/zinc/34/60/96/902346096.db2.gz	LGBIIFZYTQUASP-FUHWJXTLSA-N	1	0	354.429	1.953	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@H]1c1ccccc1F	ZINC001079302264	902351189	/nfs/dbraw/zinc/35/11/89/902351189.db2.gz	UWTYLSNDTCDZHU-FUHWJXTLSA-N	1	0	357.429	1.355	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnnn2CC)C(C)(C)C1	ZINC000995831421	902352374	/nfs/dbraw/zinc/35/23/74/902352374.db2.gz	KJJMGMLURJUHOL-IXDOHACOSA-N	1	0	361.490	1.606	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc(N(C)C)ccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079273981	902353593	/nfs/dbraw/zinc/35/35/93/902353593.db2.gz	AAPPMZAPGCDSON-PKOBYXMFSA-N	1	0	368.481	1.334	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CCc2cnn(C)c2)C1	ZINC001079287024	902384267	/nfs/dbraw/zinc/38/42/67/902384267.db2.gz	KQMFTMKYHUDNOS-UCLAIMLFSA-N	1	0	369.444	1.846	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CCc2cnn(C)c2)C1	ZINC001079287023	902384326	/nfs/dbraw/zinc/38/43/26/902384326.db2.gz	KQMFTMKYHUDNOS-DKSSEZFCSA-N	1	0	369.444	1.846	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](c3ccccc3F)[C@H](NCC#N)C2)CC[N@@H+]1C	ZINC001079295790	902400570	/nfs/dbraw/zinc/40/05/70/902400570.db2.gz	VBKULPDPZAWIJG-RNIPGJKVSA-N	1	0	358.461	1.964	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC(=O)NC2)C[C@H]1c1ccccc1F	ZINC001079298981	902408007	/nfs/dbraw/zinc/40/80/07/902408007.db2.gz	QHLUCNREYZHBOT-QILLFSRXSA-N	1	0	359.445	1.812	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C)C2)C[C@H]1c1ccccc1F	ZINC001079314787	902409207	/nfs/dbraw/zinc/40/92/07/902409207.db2.gz	LBVUMZXXNQTKSU-HHXXYDBFSA-N	1	0	371.456	1.601	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(C)nn(C)c2OC)C[C@H]1c1ccccc1F	ZINC001079313286	902449250	/nfs/dbraw/zinc/44/92/50/902449250.db2.gz	FTJQRDYMYGPULC-DOTOQJQBSA-N	1	0	370.428	1.707	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2CC[N@H+](CCN3CCCC3=O)C[C@H]21	ZINC001084408982	914637362	/nfs/dbraw/zinc/63/73/62/914637362.db2.gz	DSMUALBHQCZSIH-SJLPKXTDSA-N	1	0	356.470	1.443	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CCOC2)C3)CC1	ZINC000995949866	902764244	/nfs/dbraw/zinc/76/42/44/902764244.db2.gz	QRJPBLJQWRKGLT-YSHGAJCASA-N	1	0	373.497	1.006	20	30		FDEDRO
CNC(=O)c1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)cc1	ZINC001079592445	902873722	/nfs/dbraw/zinc/87/37/22/902873722.db2.gz	GOZXZAVQKFTGNF-FZKQIMNGSA-N	1	0	365.437	1.496	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1CN(C(=O)C[N@@H+](C)CCC)C1	ZINC001079857116	903529053	/nfs/dbraw/zinc/52/90/53/903529053.db2.gz	DJXRUBSYKPUOLL-SJORKVTESA-N	1	0	351.491	1.369	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001079860842	903552217	/nfs/dbraw/zinc/55/22/17/903552217.db2.gz	AXMZSPMKDHHDBY-FRQCXROJSA-N	1	0	351.491	1.103	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1(C)C	ZINC000996299099	903635064	/nfs/dbraw/zinc/63/50/64/903635064.db2.gz	RHIDFVASWSUYKI-BFHYXJOUSA-N	1	0	357.882	1.201	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cnc2n1CCOC2	ZINC001079895143	903695873	/nfs/dbraw/zinc/69/58/73/903695873.db2.gz	VNAGXUROZBVMCK-RHSMWYFYSA-N	1	0	365.437	1.535	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@]1(C)CCNC(=O)C1	ZINC001079954121	903756772	/nfs/dbraw/zinc/75/67/72/903756772.db2.gz	SNTNIZHROOBBBI-WIBUTAKZSA-N	1	0	354.454	1.411	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2cnnn2C)C(C)(C)C1	ZINC000996395444	903839358	/nfs/dbraw/zinc/83/93/58/903839358.db2.gz	QLRWMFMWGMTALF-ULQDDVLXSA-N	1	0	361.490	1.513	20	30		FDEDRO
CC(C)CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CSCC#N)CCC[C@@H]12	ZINC001107291172	904365184	/nfs/dbraw/zinc/36/51/84/904365184.db2.gz	MSMCTPXXUWRNBH-CRAIPNDOSA-N	1	0	366.531	1.376	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC1CCCCC1)CC2	ZINC001107329258	904492559	/nfs/dbraw/zinc/49/25/59/904492559.db2.gz	NSRWVUXYAFDZMG-XAUMDUMWSA-N	1	0	360.502	1.956	20	30		FDEDRO
N#Cc1cc(C[N@@H+]2CC[C@@]3(CNC(=O)CC(N)=O)CCC[C@@H]23)ccc1F	ZINC001107344053	904503825	/nfs/dbraw/zinc/50/38/25/904503825.db2.gz	IJUJWOLTNIPAQN-VQIMIIECSA-N	1	0	358.417	1.434	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cnccc3C)CCC[C@@H]12	ZINC001107339743	904519763	/nfs/dbraw/zinc/51/97/63/904519763.db2.gz	AJDTZJXPCWKQMH-YLJYHZDGSA-N	1	0	354.454	1.114	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(=O)[nH]3)CCC[C@@H]12	ZINC001107347822	904546921	/nfs/dbraw/zinc/54/69/21/904546921.db2.gz	FSWMXMYYPJAQKY-DNVCBOLYSA-N	1	0	358.442	1.064	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3ccc(C)o3)CCC[C@@H]12	ZINC001107365360	904569073	/nfs/dbraw/zinc/56/90/73/904569073.db2.gz	SXYIHPUYCPYCRD-YLJYHZDGSA-N	1	0	359.470	1.794	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCc2cc(C#N)ccc2F)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000764418584	904599597	/nfs/dbraw/zinc/59/95/97/904599597.db2.gz	KOJUFLQQEWEKDZ-BEFAXECRSA-N	1	0	373.476	1.865	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCc1cnn(C)c1)CC2	ZINC001107381312	904649820	/nfs/dbraw/zinc/64/98/20/904649820.db2.gz	IIRBUHAJBICXJH-YZGWKJHDSA-N	1	0	360.502	1.651	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cc(OC)no1)CC2	ZINC001107381722	904652072	/nfs/dbraw/zinc/65/20/72/904652072.db2.gz	RJHLNUKXCKWCGT-AYOQOUSVSA-N	1	0	363.458	1.871	20	30		FDEDRO
C#CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@@H](C)CS(C)(=O)=O)CC2	ZINC001107384324	904660271	/nfs/dbraw/zinc/66/02/71/904660271.db2.gz	ZDYWPJRDFYTBHU-ZHALLVOQSA-N	1	0	368.543	1.831	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3nn(C)cc3C)CCC[C@@H]12	ZINC001107395657	904706210	/nfs/dbraw/zinc/70/62/10/904706210.db2.gz	IGWRSXHXLSKIQW-DNVCBOLYSA-N	1	0	359.474	1.005	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC([NH2+]Cc2cc(C#N)ccc2F)CC1	ZINC000996682872	904721776	/nfs/dbraw/zinc/72/17/76/904721776.db2.gz	YKJJYAHCSHGGEI-UGSOOPFHSA-N	1	0	361.417	1.582	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N[C@H](C(=O)OC)c1ccc(Br)cc1	ZINC000764464816	904774891	/nfs/dbraw/zinc/77/48/91/904774891.db2.gz	RRXWOLAQXYLWLY-ZDUSSCGKSA-N	1	0	355.232	1.897	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC001080180457	904845552	/nfs/dbraw/zinc/84/55/52/904845552.db2.gz	KXAXGCSMMWWZAD-RBUQIHAASA-N	1	0	369.465	1.546	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C(=O)c3cccs3)CCC[C@@H]12	ZINC001107426993	904851957	/nfs/dbraw/zinc/85/19/57/904851957.db2.gz	YGJKWBKJDWLZGA-VQIMIIECSA-N	1	0	359.495	1.814	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(CC)C(=O)CC[N@@H+](C)CCC)C1	ZINC001080190514	904855513	/nfs/dbraw/zinc/85/55/13/904855513.db2.gz	UXKKOOFXTHYSKE-MSOLQXFVSA-N	1	0	365.518	1.759	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC(F)(F)C3)CCC[C@@H]12	ZINC001107429499	904868885	/nfs/dbraw/zinc/86/88/85/904868885.db2.gz	OUUJYCWVEWFFGW-JJRVBVJISA-N	1	0	368.428	1.422	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2cn([C@H](C)COC)nc2C)[C@H](OC)C1	ZINC001081666896	904907643	/nfs/dbraw/zinc/90/76/43/904907643.db2.gz	AYRMSHXCKINVBY-ZTFGCOKTSA-N	1	0	364.490	1.794	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3ccccc3)CCC[C@@H]12	ZINC001107453831	905007032	/nfs/dbraw/zinc/00/70/32/905007032.db2.gz	BLTFEICJDFOWEA-YLJYHZDGSA-N	1	0	354.454	1.230	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccnc4n[nH]nc43)CCC[C@@H]12	ZINC001107467436	905047488	/nfs/dbraw/zinc/04/74/88/905047488.db2.gz	NLUSKAMCSJABMY-DNVCBOLYSA-N	1	0	370.457	1.530	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4nccn4c3)CCC[C@@H]12	ZINC001107469826	905085268	/nfs/dbraw/zinc/08/52/68/905085268.db2.gz	NRLGCABXWSYNIN-YLJYHZDGSA-N	1	0	369.469	1.906	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)Cn3ncc4cccnc43)CCC[C@@H]12	ZINC001107476965	905144784	/nfs/dbraw/zinc/14/47/84/905144784.db2.gz	WOSMFQQSCMGCTQ-YLJYHZDGSA-N	1	0	351.454	1.815	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)Cc3cn(CC)nn3)CCC[C@@H]12	ZINC001107483467	905186472	/nfs/dbraw/zinc/18/64/72/905186472.db2.gz	ZGVPXMSSCNTCJD-IEBWSBKVSA-N	1	0	361.490	1.404	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3cnn4cccnc34)CCC[C@@H]12	ZINC001107494602	905193996	/nfs/dbraw/zinc/19/39/96/905193996.db2.gz	QALNPXYWYREGER-YLJYHZDGSA-N	1	0	369.469	1.906	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1CCCc2nn[nH]c21	ZINC001080346075	905258592	/nfs/dbraw/zinc/25/85/92/905258592.db2.gz	LVCMJGCGLPMHJA-MZMPZRCHSA-N	1	0	364.453	1.733	20	30		FDEDRO
C[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C1CC[NH+](C)CC1	ZINC001080377395	905282390	/nfs/dbraw/zinc/28/23/90/905282390.db2.gz	OXSOOBRKALSZNU-OXQOHEQNSA-N	1	0	357.473	1.956	20	30		FDEDRO
C#CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC2)CC1	ZINC000996776448	905302026	/nfs/dbraw/zinc/30/20/26/905302026.db2.gz	NHUIWHAXTRADOZ-OPQOLIRYSA-N	1	0	355.486	1.191	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nc(=O)n(C)[nH]1)CC2	ZINC001107515562	905314787	/nfs/dbraw/zinc/31/47/87/905314787.db2.gz	XVMXKSWFIIWYHT-QMTMVMCOSA-N	1	0	361.490	1.572	20	30		FDEDRO
C=C(Cl)CN1CC[NH+](C2CCC(NC(=O)[C@]34C[C@H]3COC4)CC2)CC1	ZINC000996777751	905349408	/nfs/dbraw/zinc/34/94/08/905349408.db2.gz	ZSDDEJHHLBHHII-LOTPSLMQSA-N	1	0	367.921	1.820	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCNS(C)(=O)=O)CC2	ZINC001107533774	905402155	/nfs/dbraw/zinc/40/21/55/905402155.db2.gz	GBSMCYOFABRVEH-KBAYOESNSA-N	1	0	371.547	1.499	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCCC(=O)N3)CCC[C@@H]12	ZINC001107543731	905471487	/nfs/dbraw/zinc/47/14/87/905471487.db2.gz	WEDZXQSVFDYJRJ-MBOZVWFJSA-N	1	0	361.486	1.056	20	30		FDEDRO
COc1c(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)c(C)nn1C	ZINC001080542608	905603110	/nfs/dbraw/zinc/60/31/10/905603110.db2.gz	IBPYPNJEHJEQSS-CXAGYDPISA-N	1	0	367.453	1.859	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](NS(C)(=O)=O)C(C)C)CCC[C@@H]12	ZINC001107571037	905650153	/nfs/dbraw/zinc/65/01/53/905650153.db2.gz	ORKRGCGDFHFWCM-HLLBOEOZSA-N	1	0	357.520	1.107	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[N@@H+]2CCC[C@H]2C)C1	ZINC001080558253	905682619	/nfs/dbraw/zinc/68/26/19/905682619.db2.gz	PKWHYOGAUJUEGX-NXHRZFHOSA-N	1	0	363.502	1.511	20	30		FDEDRO
COc1cncc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)n1	ZINC001080563517	905696511	/nfs/dbraw/zinc/69/65/11/905696511.db2.gz	XCTXSLXBTZSZLK-CXAGYDPISA-N	1	0	351.410	1.607	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC#CCOC)CC3)nn1	ZINC001107574126	905722146	/nfs/dbraw/zinc/72/21/46/905722146.db2.gz	ONEHRVOECNBHDG-UYAOXDASSA-N	1	0	371.485	1.478	20	30		FDEDRO
Cc1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)ccn1	ZINC001107586312	905832086	/nfs/dbraw/zinc/83/20/86/905832086.db2.gz	PQDJUFXXZXPJSH-VQIMIIECSA-N	1	0	355.442	1.004	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3cc4ncccn4n3)CCC[C@@H]12	ZINC001107586248	905832865	/nfs/dbraw/zinc/83/28/65/905832865.db2.gz	LQTVXJOWPQOVHR-YLJYHZDGSA-N	1	0	369.469	1.906	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cccc4[nH]cnc43)C2)C1=O	ZINC001080655946	905899440	/nfs/dbraw/zinc/89/94/40/905899440.db2.gz	KPQINSQJMMSIGW-KBRIMQKVSA-N	1	0	367.453	1.400	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)c3cscn3)CCC[C@@H]12	ZINC001107599478	905903605	/nfs/dbraw/zinc/90/36/05/905903605.db2.gz	GMQGBLSZVZLWGL-CRAIPNDOSA-N	1	0	362.499	1.810	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)CCc3nc4cc[nH]cc-4n3)CCC[C@@H]12	ZINC001107600221	905907164	/nfs/dbraw/zinc/90/71/64/905907164.db2.gz	RUIHLQPMJQNBBO-YLJYHZDGSA-N	1	0	351.454	1.885	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@]1(C)CCOC1	ZINC001080676169	905933776	/nfs/dbraw/zinc/93/37/76/905933776.db2.gz	RPOCAAOLHMPVJG-XFQXTVEOSA-N	1	0	357.454	1.952	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)c3ccc(F)cc3)CCC[C@@H]12	ZINC001107625444	906039339	/nfs/dbraw/zinc/03/93/39/906039339.db2.gz	ZPVVJBXLZPSSAQ-YLJYHZDGSA-N	1	0	357.429	1.550	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@]3(C)CCS(=O)(=O)N3)CCC[C@@H]12	ZINC001107620991	906061356	/nfs/dbraw/zinc/06/13/56/906061356.db2.gz	GMHGJJAWWGNXEL-KBAYOESNSA-N	1	0	369.531	1.395	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)CCNC(=O)c3cccs3)CCC[C@@H]12	ZINC001107631104	906073330	/nfs/dbraw/zinc/07/33/30/906073330.db2.gz	BTJWIVGJJDRSHH-VQIMIIECSA-N	1	0	359.495	1.862	20	30		FDEDRO
COc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)nn1	ZINC001080721586	906123834	/nfs/dbraw/zinc/12/38/34/906123834.db2.gz	YPZQVDFRMKJPJZ-CXAGYDPISA-N	1	0	351.410	1.607	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)c3ccsc3)CCC[C@@H]12	ZINC001107637228	906143603	/nfs/dbraw/zinc/14/36/03/906143603.db2.gz	BFYZGMBKNMWRRU-VQIMIIECSA-N	1	0	359.495	1.862	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cncnc3CC)CCC[C@@H]12	ZINC001107633281	906152535	/nfs/dbraw/zinc/15/25/35/906152535.db2.gz	QJCSLUDVGIZXDT-YLJYHZDGSA-N	1	0	371.485	1.316	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)NCc3ccco3)CCC[C@@H]12	ZINC001107643832	906218503	/nfs/dbraw/zinc/21/85/03/906218503.db2.gz	UQNHMZGYVCXOCW-VQIMIIECSA-N	1	0	358.442	1.073	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@]3(CNC(=O)Cn4ccnc4)CCC[C@@H]23)C1=O	ZINC001107654745	906252200	/nfs/dbraw/zinc/25/22/00/906252200.db2.gz	HNSYXPZPNCSMAC-SQGPQFPESA-N	1	0	371.485	1.031	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](NC(=O)c2cnc([C@H]3CCCO3)s2)[C@H](OC)C1	ZINC001082213151	906298923	/nfs/dbraw/zinc/29/89/23/906298923.db2.gz	NNGDTFWGIZFHAS-MGPQQGTHSA-N	1	0	351.472	2.000	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]2OC)nn1	ZINC001082213397	906300855	/nfs/dbraw/zinc/30/08/55/906300855.db2.gz	YTHUVBAZFVOEBW-SJLPKXTDSA-N	1	0	359.474	1.784	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]2C)cn1	ZINC001080810686	906364842	/nfs/dbraw/zinc/36/48/42/906364842.db2.gz	YEBRINGTPZVRHV-RDTXWAMCSA-N	1	0	350.422	1.012	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc(-c3nc[nH]n3)cc2)[C@H](OC)C1	ZINC001082296727	906553057	/nfs/dbraw/zinc/55/30/57/906553057.db2.gz	NLWRDFKDNKKPFK-IAGOWNOFSA-N	1	0	355.442	1.867	20	30		FDEDRO
C=CCCC(=O)N1CCC(CO)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1	ZINC001080877643	906565710	/nfs/dbraw/zinc/56/57/10/906565710.db2.gz	GRIJQNNYJCOJDH-JKSUJKDBSA-N	1	0	351.491	1.153	20	30		FDEDRO
CC#CC[NH2+][C@H]1CCN(c2cccc(CNC(=O)[C@H]3OCC[C@H]3CC)n2)C1	ZINC001127840349	906614531	/nfs/dbraw/zinc/61/45/31/906614531.db2.gz	XNHWXFCIAAVRGX-KPFFTGBYSA-N	1	0	370.497	1.705	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCN(c2cccc(CNC(=O)[C@]34C[C@H]3COC4)n2)C1	ZINC001127840397	906614819	/nfs/dbraw/zinc/61/48/19/906614819.db2.gz	XTKRRGUPTSDPHX-VPWXQRGCSA-N	1	0	356.470	1.479	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc(N3CCCC3)nn2)[C@H](OC)C1	ZINC001082319251	906651319	/nfs/dbraw/zinc/65/13/19/906651319.db2.gz	NWUVJDPQSURWGP-IAGOWNOFSA-N	1	0	359.474	1.472	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)C[NH+](CC)CC	ZINC001082301422	906674106	/nfs/dbraw/zinc/67/41/06/906674106.db2.gz	QCARBIVHLHHYKB-BBWFWOEESA-N	1	0	351.491	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C	ZINC001082302894	906686417	/nfs/dbraw/zinc/68/64/17/906686417.db2.gz	IPZSDYHTECRHDU-YVSFHVDLSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1	ZINC001077685410	906723056	/nfs/dbraw/zinc/72/30/56/906723056.db2.gz	POFGJDQWJYWFDM-IAGOWNOFSA-N	1	0	351.878	1.318	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC3CC(OCC)C3)C[C@H]2OC)nc1	ZINC001082333760	906830147	/nfs/dbraw/zinc/83/01/47/906830147.db2.gz	YCCZLAZNVGBHFS-LRMJVLKBSA-N	1	0	357.454	1.307	20	30		FDEDRO
CON=Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1	ZINC000765353846	906887293	/nfs/dbraw/zinc/88/72/93/906887293.db2.gz	SBCUUTBOUMLVMU-VQIMIIECSA-N	1	0	358.486	1.765	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)NCCNc2ncccc2C#N)CC1	ZINC000727032563	907002680	/nfs/dbraw/zinc/00/26/80/907002680.db2.gz	JXLROTJFFCADLU-UHFFFAOYSA-N	1	0	360.462	1.165	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)Cn1ccnc1	ZINC001081036077	907002963	/nfs/dbraw/zinc/00/29/63/907002963.db2.gz	LWCDAUOZZKDUAF-CRAIPNDOSA-N	1	0	353.426	1.422	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@H]1c1ccccc1	ZINC001081090769	907132359	/nfs/dbraw/zinc/13/23/59/907132359.db2.gz	VRRCOCIPDNXANL-GVDBMIGSSA-N	1	0	350.846	1.739	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCc2ccnn2C)C1	ZINC001081098389	907161552	/nfs/dbraw/zinc/16/15/52/907161552.db2.gz	AIJQKJRRWSZUQN-ZYSHUDEJSA-N	1	0	351.454	1.706	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([NH2+][C@@H]2CCN(CC)C2=O)CC1	ZINC000997082201	907205569	/nfs/dbraw/zinc/20/55/69/907205569.db2.gz	CMOMOAJVOFONJY-KSZLIROESA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([NH2+]CCc2cnn(C)c2)CC1	ZINC000997083941	907215447	/nfs/dbraw/zinc/21/54/47/907215447.db2.gz	KBUMFVWBVRMVBT-OALUTQOASA-N	1	0	360.502	1.915	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C[NH+]1CCCC1	ZINC001082371203	907233235	/nfs/dbraw/zinc/23/32/35/907233235.db2.gz	XFDMOMSBXZPCNU-QZTJIDSGSA-N	1	0	360.433	1.109	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2COC)C[C@H]1c1ccccc1	ZINC001081135190	907238148	/nfs/dbraw/zinc/23/81/48/907238148.db2.gz	KVGDMYFQFGYLQO-FUHWJXTLSA-N	1	0	354.454	1.950	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2ccc(=O)n(CCCC)n2)[C@H](OC)C1	ZINC001082364992	907257844	/nfs/dbraw/zinc/25/78/44/907257844.db2.gz	CYKOPAYOJTZQOJ-IAGOWNOFSA-N	1	0	362.474	1.439	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(=O)c(OC)c[nH]2)C[C@H]1c1ccccc1	ZINC001081147136	907260291	/nfs/dbraw/zinc/26/02/91/907260291.db2.gz	XQCKQMRSRWSWOO-DOTOQJQBSA-N	1	0	351.406	1.215	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+]C[C@@H]2CCc3ncnn32)CC1	ZINC000997085994	907263286	/nfs/dbraw/zinc/26/32/86/907263286.db2.gz	UYBBNEVQQSKIHG-BQFCYCMXSA-N	1	0	359.474	1.327	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c(C)c(C)nn(C)c2=O)C[C@H]1c1ccccc1	ZINC001081156474	907271626	/nfs/dbraw/zinc/27/16/26/907271626.db2.gz	KZMADWBPBZKVNJ-ZWKOTPCHSA-N	1	0	366.465	1.781	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3nn[nH]c32)C[C@H]1c1ccccc1	ZINC001081170924	907294469	/nfs/dbraw/zinc/29/44/69/907294469.db2.gz	VONMHLLDULGVIG-SOLBZPMBSA-N	1	0	351.454	1.995	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN2C(=O)C(C)C)[C@H](OC)C1	ZINC001082376443	907306231	/nfs/dbraw/zinc/30/62/31/907306231.db2.gz	UPKPSAYZLCFDQG-BRWVUGGUSA-N	1	0	351.491	1.415	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(CCC)n2)C[C@H]1c1ccccc1	ZINC001081224775	907337203	/nfs/dbraw/zinc/33/72/03/907337203.db2.gz	ZSXLEMSSWXLILA-PKOBYXMFSA-N	1	0	364.449	1.484	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+][C@H](C)C(N)=O)C2)c1	ZINC001081177046	907346798	/nfs/dbraw/zinc/34/67/98/907346798.db2.gz	XOUHPTSGPPJUII-MDASCCDHSA-N	1	0	362.433	1.135	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C(=O)CCC)[C@H](OC)C1	ZINC001082382768	907370132	/nfs/dbraw/zinc/37/01/32/907370132.db2.gz	SVGOBZBBJAGQAU-IXDOHACOSA-N	1	0	351.491	1.559	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCCS2(=O)=O)C[C@H]1c1ccccc1	ZINC001081195544	907373647	/nfs/dbraw/zinc/37/36/47/907373647.db2.gz	GNAVGGJNOCEONY-YQVWRLOYSA-N	1	0	360.479	1.171	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]C[C@@H](C)O)C2)nn1	ZINC001081195835	907376561	/nfs/dbraw/zinc/37/65/61/907376561.db2.gz	WXSZCHLGZXGSOM-BPQIPLTHSA-N	1	0	369.469	1.433	20	30		FDEDRO
CC(=O)N1CCN(CC[NH2+]Cc2cc(C#N)ccc2Br)CC1	ZINC000921533434	907637784	/nfs/dbraw/zinc/63/77/84/907637784.db2.gz	QCRRDICLDBKYFK-UHFFFAOYSA-N	1	0	365.275	1.574	20	30		FDEDRO
Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3F)C2)nn1C	ZINC001082439507	907769300	/nfs/dbraw/zinc/76/93/00/907769300.db2.gz	ZBJGMVKCHLQHRN-KZULUSFZSA-N	1	0	355.417	1.990	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1[NH2+]C[C@@H]1COc2ccccc2O1	ZINC001082464986	907899888	/nfs/dbraw/zinc/89/98/88/907899888.db2.gz	WDGJQQNCORCFFN-FRFSOERESA-N	1	0	366.421	1.776	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1[NH2+][C@@H]1CCN(C(C)(C)C)C1=O	ZINC001082464943	907899983	/nfs/dbraw/zinc/89/99/83/907899983.db2.gz	SNYFCXUCEHMIGJ-XNRPHZJLSA-N	1	0	357.458	1.336	20	30		FDEDRO
Cc1nn(C)c(Cl)c1C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC001082483547	907905471	/nfs/dbraw/zinc/90/54/71/907905471.db2.gz	OGRPTNBBYRLYSE-MEBBXXQBSA-N	1	0	360.849	1.832	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1[NH2+]Cc1cc(CO)ccc1F	ZINC001082483947	907909195	/nfs/dbraw/zinc/90/91/95/907909195.db2.gz	VTXCKDJTAHKLAJ-KZULUSFZSA-N	1	0	356.401	1.768	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3nnc(C)o3)C[C@H]2C)cc1C#N	ZINC001082499005	908076316	/nfs/dbraw/zinc/07/63/16/908076316.db2.gz	HNQZRYSRALIIOE-MLGOLLRUSA-N	1	0	369.425	1.438	20	30		FDEDRO
CCn1ncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OC)c(C#N)c3)C2)n1	ZINC001082500811	908088680	/nfs/dbraw/zinc/08/86/80/908088680.db2.gz	WYXOBBPGUUIDBV-CXAGYDPISA-N	1	0	368.441	1.429	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+][C@@H]1CCN(c2ccccc2F)C1=O	ZINC001082504808	908115161	/nfs/dbraw/zinc/11/51/61/908115161.db2.gz	IOCFHHIBBZOOSG-ZTFGCOKTSA-N	1	0	369.440	1.781	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]Cc1cc(=O)n2ccsc2n1	ZINC001082504625	908115505	/nfs/dbraw/zinc/11/55/05/908115505.db2.gz	PZRMQKZGVPUSKO-IUODEOHRSA-N	1	0	356.451	1.106	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(C#N)c1	ZINC000997336338	908212743	/nfs/dbraw/zinc/21/27/43/908212743.db2.gz	IKYPNDCNNHQCRW-VSZNYVQBSA-N	1	0	369.469	1.622	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)Cc2ccn(CC)n2)C[C@H]1C	ZINC001082523452	908240461	/nfs/dbraw/zinc/24/04/61/908240461.db2.gz	SBCSWNPMRDILHN-BXUZGUMPSA-N	1	0	355.280	1.791	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H](CC)c3ccccc3)C[C@H]2O)nn1	ZINC001077801157	908298793	/nfs/dbraw/zinc/29/87/93/908298793.db2.gz	FNHDBMBGSKLVIK-BPQIPLTHSA-N	1	0	355.442	1.390	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CCc3ccccc3CC)C[C@H]2O)nn1	ZINC001077801349	908303843	/nfs/dbraw/zinc/30/38/43/908303843.db2.gz	NYQXCOCPPHOTBP-IEBWSBKVSA-N	1	0	369.469	1.044	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CCCOC2)CC1	ZINC000997357994	908327434	/nfs/dbraw/zinc/32/74/34/908327434.db2.gz	SUXNPLYBCAORJK-RDGPPVDQSA-N	1	0	373.497	1.006	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc(CC)ccn3)C[C@H]2C)C1=O	ZINC001082528979	908386590	/nfs/dbraw/zinc/38/65/90/908386590.db2.gz	VQEZKTBTWAAYBZ-UWWQBHOKSA-N	1	0	356.470	1.481	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1)N1C(=O)CCC1=O	ZINC001082543942	908428556	/nfs/dbraw/zinc/42/85/56/908428556.db2.gz	YZGXLDVFAVRFSH-CKEIUWERSA-N	1	0	368.437	1.032	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@]2(C)CN(Cc3ccccc3C#N)CCO2)CC[N@@H+]1C	ZINC001107954923	908499481	/nfs/dbraw/zinc/49/94/81/908499481.db2.gz	YSRKXZLETWXORG-OZOXKJRCSA-N	1	0	370.497	1.606	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082556700	908582441	/nfs/dbraw/zinc/58/24/41/908582441.db2.gz	ZBGIJAOLRPXCLT-SUYBPPKGSA-N	1	0	358.417	1.160	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082556702	908583126	/nfs/dbraw/zinc/58/31/26/908583126.db2.gz	ZCLQMRIDQKTHPM-SUYBPPKGSA-N	1	0	358.417	1.160	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)C1	ZINC000997390457	908628572	/nfs/dbraw/zinc/62/85/72/908628572.db2.gz	SWAPTYKXGVPGPT-RDGPPVDQSA-N	1	0	357.498	1.626	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnc3n2CCOC3)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082572477	908632326	/nfs/dbraw/zinc/63/23/26/908632326.db2.gz	DYPKBVHQSSRMGA-IUODEOHRSA-N	1	0	371.466	1.597	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cccc(CC)n3)C[C@H]2C)C1=O	ZINC001082563663	908654613	/nfs/dbraw/zinc/65/46/13/908654613.db2.gz	PLOANGBEYOGGQU-ZTFGCOKTSA-N	1	0	356.470	1.481	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1	ZINC001082567896	908705276	/nfs/dbraw/zinc/70/52/76/908705276.db2.gz	JWEBSBUIAPPERG-YSGRDPCXSA-N	1	0	368.456	1.731	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccnc2OC)C1	ZINC001082568031	908706076	/nfs/dbraw/zinc/70/60/76/908706076.db2.gz	TUOGYLNERLIILB-NXHRZFHOSA-N	1	0	356.470	1.124	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc3n(n2)CCCC3)C1	ZINC001082568935	908715356	/nfs/dbraw/zinc/71/53/56/908715356.db2.gz	ZFGIPNDFZHTOIU-AHRSYUTCSA-N	1	0	369.513	1.254	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCCNC3=O)C[C@H]2C)cc1C#N	ZINC001082576029	908742010	/nfs/dbraw/zinc/74/20/10/908742010.db2.gz	MFMNAISXPCFMBG-KBRIMQKVSA-N	1	0	370.453	1.030	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3c(C)ncn3C)C[C@H]2C)cc1C#N	ZINC001082575564	908828430	/nfs/dbraw/zinc/82/84/30/908828430.db2.gz	NAFKKKRGJIDUFK-CXAGYDPISA-N	1	0	367.453	1.859	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CCNC(=O)C2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082589802	908842325	/nfs/dbraw/zinc/84/23/25/908842325.db2.gz	OUQZXMQKUDKYAO-DWQUBVKVSA-N	1	0	360.483	1.473	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000265611291	908868892	/nfs/dbraw/zinc/86/88/92/908868892.db2.gz	NUCJJKBYVPXEQO-IBGZPJMESA-N	1	0	371.485	1.106	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H]3CCCNC3=O)C2)cc1	ZINC001082600119	908961576	/nfs/dbraw/zinc/96/15/76/908961576.db2.gz	BJQVYBYHZFYWKO-ZTFGCOKTSA-N	1	0	357.454	1.580	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H]3CCCNC3=O)C2)cc1	ZINC001082600118	908962018	/nfs/dbraw/zinc/96/20/18/908962018.db2.gz	BJQVYBYHZFYWKO-FHLIZLRMSA-N	1	0	357.454	1.580	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1OC)OCC	ZINC001212354891	909066445	/nfs/dbraw/zinc/06/64/45/909066445.db2.gz	MMTGYMKGPWLVJQ-BZUAXINKSA-N	1	0	369.506	1.088	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)Cc3ccc(C)cc3)C[C@H]2C)C1=O	ZINC001082625111	909108108	/nfs/dbraw/zinc/10/81/08/909108108.db2.gz	IIKOBNPUGOCBTO-NZSAHSFTSA-N	1	0	355.482	1.761	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cccc4nccn43)C[C@H]2C)C1=O	ZINC001082640575	909264574	/nfs/dbraw/zinc/26/45/74/909264574.db2.gz	HIDZRCDGOWAPFS-BZUAXINKSA-N	1	0	367.453	1.171	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ncc(Cl)s3)C[C@H]2C)C1=O	ZINC001082641928	909277690	/nfs/dbraw/zinc/27/76/90/909277690.db2.gz	XXXJATGKJRUBGR-IJLUTSLNSA-N	1	0	368.890	1.634	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)Cc2ccc(=O)[nH]c2)C[C@H]1C	ZINC001082648702	909334111	/nfs/dbraw/zinc/33/41/11/909334111.db2.gz	SBSCNZXUENYDIR-ZWNOBZJWSA-N	1	0	354.248	1.675	20	30		FDEDRO
C#CCC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@@H]1CCCO[C@H]1C=C)CC2	ZINC001127990935	909394565	/nfs/dbraw/zinc/39/45/65/909394565.db2.gz	LUJOVICQHTVJPU-ZACQAIPSSA-N	1	0	371.485	1.193	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)CC2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082665664	909453253	/nfs/dbraw/zinc/45/32/53/909453253.db2.gz	WYKIGMSSLXELDU-RVKKMQEKSA-N	1	0	354.454	1.411	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@@H]1O	ZINC001083790213	909520452	/nfs/dbraw/zinc/52/04/52/909520452.db2.gz	VNOPAAYHQGRNHS-ZRNYENFQSA-N	1	0	372.465	1.012	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)CCc2nc(C)no2)C[C@H]1C	ZINC001082674846	909525373	/nfs/dbraw/zinc/52/53/73/909525373.db2.gz	FGUGDTGZIQTODZ-BXKDBHETSA-N	1	0	357.252	1.656	20	30		FDEDRO
COc1nn(C)cc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1	ZINC001082681327	909596462	/nfs/dbraw/zinc/59/64/62/909596462.db2.gz	KZCSHSOEDIBBQE-SJKOYZFVSA-N	1	0	371.416	1.690	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](CC(=O)NC2CC2)CC1	ZINC000997793959	909719087	/nfs/dbraw/zinc/71/90/87/909719087.db2.gz	OZRUQIVZAXIKCK-FNHZYXHNSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccc4nonc4c3)C[C@H]2C)C1=O	ZINC001082717688	909806496	/nfs/dbraw/zinc/80/64/96/909806496.db2.gz	MZKMXQZEQLHLDU-ISTRZQFTSA-N	1	0	369.425	1.060	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H]3CCN(c4cnn(C)c4)C3=O)C2)C1	ZINC001082729624	909859547	/nfs/dbraw/zinc/85/95/47/909859547.db2.gz	PHMDNIBZKJWITD-DJIMGWMZSA-N	1	0	371.485	1.318	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc4n(n3)CCCC4)C2)c1	ZINC001082730194	909865148	/nfs/dbraw/zinc/86/51/48/909865148.db2.gz	GELOKLLOTHCOKW-FOIQADDNSA-N	1	0	363.465	1.846	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ncc(Cl)n3C)C2)c1	ZINC001082730507	909866825	/nfs/dbraw/zinc/86/68/25/909866825.db2.gz	YOPOPNVYDCBPNN-IUODEOHRSA-N	1	0	357.845	1.700	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C(N)=O)co2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082734273	909898374	/nfs/dbraw/zinc/89/83/74/909898374.db2.gz	AMWFFTYOHHXTEE-MLGOLLRUSA-N	1	0	352.394	1.500	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(CO)ccc2F)C1	ZINC001082752029	909999624	/nfs/dbraw/zinc/99/96/24/909999624.db2.gz	MNIGSMBRTWEWPV-AZFSHXRASA-N	1	0	362.445	1.846	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc3c2OCCO3)C1	ZINC001082752222	910000020	/nfs/dbraw/zinc/00/00/20/910000020.db2.gz	XSPFLSHMWKYGBP-DDBAPUKQSA-N	1	0	372.465	1.985	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc(C)ccc3F)C[C@H]2C)C1=O	ZINC001082764487	910052144	/nfs/dbraw/zinc/05/21/44/910052144.db2.gz	TZCQOARWYAVKCL-ZTFGCOKTSA-N	1	0	359.445	1.971	20	30		FDEDRO
Cc1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](C)C#N)ccc2c[nH+]cn21	ZINC000997984895	910114272	/nfs/dbraw/zinc/11/42/72/910114272.db2.gz	YEDXEEIMGWYFGA-LPOXYFBYSA-N	1	0	351.410	1.664	20	30		FDEDRO
C[C@@H]1CN(C(=O)COC2CCOCC2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082777951	910117985	/nfs/dbraw/zinc/11/79/85/910117985.db2.gz	LZAWPKBDNWNXMK-DNVCBOLYSA-N	1	0	357.454	1.690	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)COC2CCOCC2)C[C@H]1C	ZINC001082778088	910119682	/nfs/dbraw/zinc/11/96/82/910119682.db2.gz	QYDUPJUFPXGUPX-BXUZGUMPSA-N	1	0	361.280	1.527	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(OC)c3)C2)nn1	ZINC001082791493	910193839	/nfs/dbraw/zinc/19/38/39/910193839.db2.gz	RSLBEFFNUKFSCX-RHSMWYFYSA-N	1	0	355.442	1.723	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nn(CC)nc2C)CC1	ZINC000998094357	910332822	/nfs/dbraw/zinc/33/28/22/910332822.db2.gz	JZAYNPWNRNQNBS-AEFFLSMTSA-N	1	0	361.490	1.526	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@@H]2CCc3ncnn32)CC1	ZINC000998095776	910336487	/nfs/dbraw/zinc/33/64/87/910336487.db2.gz	WMNMODKWTYFZJL-BBWFWOEESA-N	1	0	359.474	1.185	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1	ZINC000998121687	910398000	/nfs/dbraw/zinc/39/80/00/910398000.db2.gz	POQBQTIRGGMTDX-YDZRNGNQSA-N	1	0	357.498	1.768	20	30		FDEDRO
CC[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001082848159	910436563	/nfs/dbraw/zinc/43/65/63/910436563.db2.gz	KPJPPDQBFPYOCB-ATZDWAIDSA-N	1	0	368.481	1.896	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCCOC2)C1	ZINC001082869055	910509493	/nfs/dbraw/zinc/50/94/93/910509493.db2.gz	MLWZBGKDTZZXNS-SOLBZPMBSA-N	1	0	357.454	1.570	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)N3CCCCC3)C2)cn1	ZINC001082870553	910519379	/nfs/dbraw/zinc/51/93/79/910519379.db2.gz	AHUVEIYRFUXQAB-GPMSIDNRSA-N	1	0	368.481	1.514	20	30		FDEDRO
CC(C)NC(=O)CNC(=S)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000727276904	910718663	/nfs/dbraw/zinc/71/86/63/910718663.db2.gz	HWDIUNWUYIEOON-UHFFFAOYSA-N	1	0	361.515	1.321	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cncn2C)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082893098	910741365	/nfs/dbraw/zinc/74/13/65/910741365.db2.gz	LVAIZWNVVXAHPR-DNVCBOLYSA-N	1	0	351.454	1.861	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3c(C)onc3CC)C[C@H]2C)C1=O	ZINC001082916429	910901186	/nfs/dbraw/zinc/90/11/86/910901186.db2.gz	DGWHNGDWFZMFTK-DAXOMENPSA-N	1	0	360.458	1.382	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCOc2cccc(C(F)(F)F)n2)CC1	ZINC000921670999	911243597	/nfs/dbraw/zinc/24/35/97/911243597.db2.gz	KILFYSXFFYOADW-UHFFFAOYSA-N	1	0	370.375	1.876	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ccc(C#N)cc2F)C1	ZINC000998927587	911863502	/nfs/dbraw/zinc/86/35/02/911863502.db2.gz	GBNPFLLYYRZIFT-JUSSBARDSA-N	1	0	361.417	1.580	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3COc4ccccc4O3)[C@H]2C1	ZINC001083095162	911987455	/nfs/dbraw/zinc/98/74/55/911987455.db2.gz	RHRJJKCWWPOSLY-JTDSTZFVSA-N	1	0	356.422	1.151	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](CC)[NH+](C)C)cc1	ZINC000999073656	912027936	/nfs/dbraw/zinc/02/79/36/912027936.db2.gz	URYPZHRZPNUCOE-HCXYKTFWSA-N	1	0	353.466	1.870	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CNC(=O)c4ccccc43)[C@H]2C1	ZINC001083107880	912059027	/nfs/dbraw/zinc/05/90/27/912059027.db2.gz	DRFYPUCUWLZGAZ-CEXWTWQISA-N	1	0	369.465	1.391	20	30		FDEDRO
CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(C#N)[nH]1)[NH+]1CCCC1	ZINC000999114798	912086349	/nfs/dbraw/zinc/08/63/49/912086349.db2.gz	NSPRUZDYSRIYMT-PVAVHDDUSA-N	1	0	369.469	1.622	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3cn4c(n3)C[C@@H](OC)CC4)[C@@H]2C1	ZINC001084445885	914899015	/nfs/dbraw/zinc/89/90/15/914899015.db2.gz	LBEZQIPDRHHWML-SOLBZPMBSA-N	1	0	358.486	1.957	20	30		FDEDRO
C[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4ccc(C#N)s4)C[C@H]32)CC1	ZINC001084629092	915749717	/nfs/dbraw/zinc/74/97/17/915749717.db2.gz	DXEIYIUNIMICRT-CRAIPNDOSA-N	1	0	358.511	1.994	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3CC[N@H+](C[C@H]4CCNC(=O)CC4)C[C@H]32)c1	ZINC001084648170	915828354	/nfs/dbraw/zinc/82/83/54/915828354.db2.gz	YJHRSKXLTDBRSC-ZHALLVOQSA-N	1	0	366.465	1.126	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCCCC(=O)N4)[C@@H]3C2)c1	ZINC001084653993	915888338	/nfs/dbraw/zinc/88/83/38/915888338.db2.gz	AEXHBIHXLNAZLE-CEXWTWQISA-N	1	0	366.465	1.650	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@H]3CC[N@H+](C[C@@H]4CCCCO4)C[C@H]32)nn1	ZINC001084713253	916450417	/nfs/dbraw/zinc/45/04/17/916450417.db2.gz	RIYQZHYCVDMZPT-SOLBZPMBSA-N	1	0	359.474	1.570	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@H]2CC[N@@H+](CCc3cnn(C)c3)C[C@H]21	ZINC001084798196	917185357	/nfs/dbraw/zinc/18/53/57/917185357.db2.gz	DYQVDXRBGMKVGH-NHCUHLMSSA-N	1	0	362.477	1.719	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3-n3cnnn3)[C@@H]2C1	ZINC001084823690	917443332	/nfs/dbraw/zinc/44/33/32/917443332.db2.gz	NBAPZXFWSTYTEE-CRAIPNDOSA-N	1	0	352.442	1.775	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)CC(F)(F)F)C[C@@H]32)C1=O	ZINC001084900127	918153764	/nfs/dbraw/zinc/15/37/64/918153764.db2.gz	WAXKFZFIDAYMSJ-MJBXVCDLSA-N	1	0	359.392	1.649	20	30		FDEDRO
C=CC(C)(C)CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCO1	ZINC001065212698	918161705	/nfs/dbraw/zinc/16/17/05/918161705.db2.gz	SXAAQFBQBXUBEK-IXDOHACOSA-N	1	0	365.518	1.663	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)C[C@H]4COC(=O)C4)C[C@@H]32)cc1	ZINC001084920407	918325399	/nfs/dbraw/zinc/32/53/99/918325399.db2.gz	BYQMGJOIENTDEE-QRVBRYPASA-N	1	0	367.449	1.934	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N4CCCCC4)[C@H]3C2)[nH]1	ZINC001084923292	918331336	/nfs/dbraw/zinc/33/13/36/918331336.db2.gz	IXVUIVJJFWKBID-QAPCUYQASA-N	1	0	369.469	1.435	20	30		FDEDRO
CC(=O)N1CC(C(=O)N2CC[C@H]3CC[N@H+](Cc4ccccc4C#N)[C@H]3C2)C1	ZINC001084929143	918384889	/nfs/dbraw/zinc/38/48/89/918384889.db2.gz	NCCMUHRCMRJSTN-UZLBHIALSA-N	1	0	366.465	1.459	20	30		FDEDRO
Cn1nccc1CC(=O)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001084929349	918437948	/nfs/dbraw/zinc/43/79/48/918437948.db2.gz	FGYFEZWACWZVNN-CTNGQTDRSA-N	1	0	362.477	1.937	20	30		FDEDRO
Cn1nncc1C(=O)N1CC[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@H]2C1	ZINC001084932839	918493448	/nfs/dbraw/zinc/49/34/48/918493448.db2.gz	RUCXTNUNWZZYLB-AEFFLSMTSA-N	1	0	350.426	1.423	20	30		FDEDRO
Cn1nnc2cc(C[N@@H+]3CC[C@@H]4CCN(C(=O)C#CC5CC5)C[C@@H]43)ccc21	ZINC001084937657	918577907	/nfs/dbraw/zinc/57/79/07/918577907.db2.gz	PIZCHZJZSYZXCB-XLIONFOSSA-N	1	0	363.465	1.805	20	30		FDEDRO
Cn1ccc(CC(=O)N2CC[C@H]3CC[N@H+](CC#Cc4ccccc4)[C@H]3C2)n1	ZINC001084938370	918586268	/nfs/dbraw/zinc/58/62/68/918586268.db2.gz	BJDFVMMQIABIQE-CTNGQTDRSA-N	1	0	362.477	1.937	20	30		FDEDRO
COc1ccc(C(C)=NNC(=S)NCCC[NH+](C)C)cc1NC(C)=O	ZINC000731928324	918845052	/nfs/dbraw/zinc/84/50/52/918845052.db2.gz	IGKBBDTWLKMXFL-UHFFFAOYSA-N	1	0	365.503	1.793	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCO[C@H]3c3nccn3C)C[C@@H]21	ZINC001084961583	918867086	/nfs/dbraw/zinc/86/70/86/918867086.db2.gz	OWSLUUWABDXXSI-ZJPYXAASSA-N	1	0	358.486	1.997	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@H]2C1	ZINC001084961856	918868192	/nfs/dbraw/zinc/86/81/92/918868192.db2.gz	CHCKFZQFJCTENJ-LDTOTXGLSA-N	1	0	369.465	1.785	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cc(C)ncn3)[C@H]2C1	ZINC001084960977	918905146	/nfs/dbraw/zinc/90/51/46/918905146.db2.gz	CKPJGNJAMXBAIH-HOJAQTOUSA-N	1	0	367.497	1.305	20	30		FDEDRO
N#CCOc1ccc(CC(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1	ZINC000732064790	918978062	/nfs/dbraw/zinc/97/80/62/918978062.db2.gz	ZONAIDHEVVXKAX-LJQANCHMSA-N	1	0	357.454	1.845	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3COCCN3CC3CCC3)C[C@@H]21	ZINC001084998386	919388585	/nfs/dbraw/zinc/38/85/85/919388585.db2.gz	JMNZPVHHKQBSJX-AABGKKOBSA-N	1	0	359.514	1.433	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCCS3(=O)=O)C[C@@H]21	ZINC001084998810	919393445	/nfs/dbraw/zinc/39/34/45/919393445.db2.gz	HKJLVUQAJPADAK-ZACQAIPSSA-N	1	0	354.516	1.843	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3cn4cc(F)ccc4n3)C[C@@H]21	ZINC001084999872	919416017	/nfs/dbraw/zinc/41/60/17/919416017.db2.gz	CXRJTWIKZYHXOB-QAPCUYQASA-N	1	0	354.429	1.962	20	30		FDEDRO
N#CCOc1ccc(CC(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)cc1	ZINC000732363247	919484943	/nfs/dbraw/zinc/48/49/43/919484943.db2.gz	HEVALBWCQBMPSR-UHFFFAOYSA-N	1	0	371.437	1.418	20	30		FDEDRO
C[C@@H](CNC(=O)NCCNC(=O)C1N=CC=CC1=O)[N@@H+]1CCCC[C@H]1C	ZINC000732450595	919592399	/nfs/dbraw/zinc/59/23/99/919592399.db2.gz	NZEZOEQILUAHRU-OVZRNVPMSA-N	1	0	363.462	1.075	20	30		FDEDRO
Cn1cc(C(=O)N2CC[C@H]3CC[N@H+](Cc4cccc(C#N)c4)[C@H]3C2)[nH]c1=O	ZINC001085022922	919778205	/nfs/dbraw/zinc/77/82/05/919778205.db2.gz	ZYQAMSIVIXSFBW-AEFFLSMTSA-N	1	0	365.437	1.734	20	30		FDEDRO
N#C[C@H]1CN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CCN1C1CC1	ZINC000732704499	919996436	/nfs/dbraw/zinc/99/64/36/919996436.db2.gz	WVWWMMONJZREQB-KRWDZBQOSA-N	1	0	361.490	1.013	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3CC[N@H+](C[C@@H]4CCCCO4)[C@H]3C2)nn1	ZINC001085051769	920098433	/nfs/dbraw/zinc/09/84/33/920098433.db2.gz	HMRZBIKSORVGQP-RYRKJORJSA-N	1	0	359.474	1.570	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn(C[C@H]4CCOC4)nn3)C[C@@H]21	ZINC001085065542	920366687	/nfs/dbraw/zinc/36/66/87/920366687.db2.gz	PUQXLEBYJYLUHV-NUJGCVRESA-N	1	0	359.474	1.427	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3ccccc3C(N)=O)C[C@@H]21	ZINC001085074872	920534588	/nfs/dbraw/zinc/53/45/88/920534588.db2.gz	GUIAUUHETVPCME-MJGOQNOKSA-N	1	0	353.466	1.664	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCC3)[C@H]2C1	ZINC001085082713	920645114	/nfs/dbraw/zinc/64/51/14/920645114.db2.gz	ACQDYBSRYYJSTM-QUCCMNQESA-N	1	0	365.477	1.366	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1	ZINC000733150783	920687993	/nfs/dbraw/zinc/68/79/93/920687993.db2.gz	UUPWAKCIVMXIHA-UHFFFAOYSA-N	1	0	374.485	1.019	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000733158384	920701424	/nfs/dbraw/zinc/70/14/24/920701424.db2.gz	IWIVRZBRFUMUQH-QGZVFWFLSA-N	1	0	373.453	1.705	20	30		FDEDRO
C#CCCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1	ZINC000733200866	920739498	/nfs/dbraw/zinc/73/94/98/920739498.db2.gz	IAYKSJREGIKRJI-INIZCTEOSA-N	1	0	372.494	1.709	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(-n4cnnn4)c3)C[C@@H]21	ZINC001085090762	920827386	/nfs/dbraw/zinc/82/73/86/920827386.db2.gz	DLNYGOWXXGLYCW-QAPCUYQASA-N	1	0	350.426	1.222	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2cc(C)on2)C1=O	ZINC001085154217	921841079	/nfs/dbraw/zinc/84/10/79/921841079.db2.gz	IRDURRXCVPCBOL-BRWVUGGUSA-N	1	0	360.458	1.329	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2nccnc2N)c1	ZINC001085154832	921846160	/nfs/dbraw/zinc/84/61/60/921846160.db2.gz	MYSZWYPRAHGAKJ-HZPDHXFCSA-N	1	0	368.416	1.900	20	30		FDEDRO
Cn1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C#N)c[nH]2)cc1=O	ZINC001085164069	921912631	/nfs/dbraw/zinc/91/26/31/921912631.db2.gz	OJJNGYCEEGPKNP-HZPDHXFCSA-N	1	0	353.426	1.416	20	30		FDEDRO
Cc1nc(C)n(CC[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)n1	ZINC001085173958	921970249	/nfs/dbraw/zinc/97/02/49/921970249.db2.gz	PYTRWRCMDJHLFS-HZPDHXFCSA-N	1	0	355.446	1.426	20	30		FDEDRO
CCn1c(C)nnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC001085173925	921970258	/nfs/dbraw/zinc/97/02/58/921970258.db2.gz	ONTZIEHXBUXGGB-HUUCEWRRSA-N	1	0	355.446	1.637	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)C1=O	ZINC001085174409	921971352	/nfs/dbraw/zinc/97/13/52/921971352.db2.gz	ZPUKZOGRKGKTNI-INMHGKMJSA-N	1	0	355.442	1.304	20	30		FDEDRO
CCc1nnc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)[nH]1	ZINC001085172265	921982782	/nfs/dbraw/zinc/98/27/82/921982782.db2.gz	SXNNKJLZGAXOFG-MRVWCRGKSA-N	1	0	355.446	1.959	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2nccc(C)n2)C1=O	ZINC001085185887	922107031	/nfs/dbraw/zinc/10/70/31/922107031.db2.gz	PVJAMFBJPRPQDY-BZUAXINKSA-N	1	0	357.458	1.203	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2nccnc2C#N)CC[N@@H+]1C	ZINC001066201928	922620770	/nfs/dbraw/zinc/62/07/70/922620770.db2.gz	HTJNQTUKWHQGCG-SRABZTEZSA-N	1	0	354.458	1.258	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3c2ccc(C#N)nn2)CC[N@@H+]1C	ZINC001066201638	922621069	/nfs/dbraw/zinc/62/10/69/922621069.db2.gz	FGZCHANODQYLAM-BSDSXHPESA-N	1	0	368.485	1.648	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3c2cncc(C#N)n2)CC[N@@H+]1C	ZINC001066202376	922622408	/nfs/dbraw/zinc/62/24/08/922622408.db2.gz	KQCDBDGEVRKOKA-SIXLDLHFSA-N	1	0	354.458	1.258	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O	ZINC001085225319	922915747	/nfs/dbraw/zinc/91/57/47/922915747.db2.gz	QPQVMOGMXABONF-RBSFLKMASA-N	1	0	358.442	1.110	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1coc(S(N)(=O)=O)c1	ZINC001085248450	923160201	/nfs/dbraw/zinc/16/02/01/923160201.db2.gz	KXXRYWBPQAWDOS-VXGBXAGGSA-N	1	0	361.851	1.310	20	30		FDEDRO
N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCC[C@H](OCCO)C1	ZINC000734486043	923378012	/nfs/dbraw/zinc/37/80/12/923378012.db2.gz	YYHSJFVAMCDGQQ-HOTGVXAUSA-N	1	0	366.421	1.697	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1COCCN1CC(F)F	ZINC001085285901	923523708	/nfs/dbraw/zinc/52/37/08/923523708.db2.gz	KGUWLONCDLPBRR-MGPQQGTHSA-N	1	0	365.852	1.722	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCNC2=O)ccc1F	ZINC001085296271	923658306	/nfs/dbraw/zinc/65/83/06/923658306.db2.gz	WPEYBWZHJXINGP-DJIMGWMZSA-N	1	0	358.417	1.350	20	30		FDEDRO
CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001085307539	923718310	/nfs/dbraw/zinc/71/83/10/923718310.db2.gz	CTRDZZTWOCWVSA-KZNAEPCWSA-N	1	0	354.454	1.696	20	30		FDEDRO
Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)[nH]c1=O	ZINC001085320591	923849401	/nfs/dbraw/zinc/84/94/01/923849401.db2.gz	GGTHEPXGKZDCFC-HZPDHXFCSA-N	1	0	353.426	1.828	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H](C)c2nncn2C)c1	ZINC001085326078	923916743	/nfs/dbraw/zinc/91/67/43/923916743.db2.gz	VBCLXQFYJFZIRR-KBRIMQKVSA-N	1	0	352.442	1.583	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001085334220	923967451	/nfs/dbraw/zinc/96/74/51/923967451.db2.gz	ALZMTQFFAKSTPA-WJFTUGDTSA-N	1	0	368.481	1.800	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnnn2C)cc1	ZINC001085356345	924158172	/nfs/dbraw/zinc/15/81/72/924158172.db2.gz	RXUCAYYTGMNCJB-RTBURBONSA-N	1	0	367.453	1.658	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnon2)cc1C#N	ZINC001085369283	924276844	/nfs/dbraw/zinc/27/68/44/924276844.db2.gz	MYRAUFCSOIFLNC-HUUCEWRRSA-N	1	0	355.398	1.781	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccnc(OC)n2)nc1	ZINC001085398341	924448385	/nfs/dbraw/zinc/44/83/85/924448385.db2.gz	CKRFLINUWAUYBV-IAGOWNOFSA-N	1	0	365.437	1.692	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCN(CC)C2=O)nc1	ZINC001085398529	924448399	/nfs/dbraw/zinc/44/83/99/924448399.db2.gz	LKSVUKHLSCDRIC-NUJGCVRESA-N	1	0	354.454	1.314	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(OC)no2)cn1	ZINC001085399082	924450643	/nfs/dbraw/zinc/45/06/43/924450643.db2.gz	QBLSDPIURRMLFE-IAGOWNOFSA-N	1	0	354.410	1.890	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3CN(c4cncc(C#N)n4)C[C@H]32)CC[N@@H+]1C	ZINC001066252522	924493088	/nfs/dbraw/zinc/49/30/88/924493088.db2.gz	QZYDJYDACAGMSD-DZJNRPSUSA-N	1	0	368.485	1.506	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NCc2nc(C)no2)CC1	ZINC001085432654	924679622	/nfs/dbraw/zinc/67/96/22/924679622.db2.gz	JJVRHGKPYRKYON-IAGOWNOFSA-N	1	0	359.474	1.240	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)NC(=O)Nc2ccc(C)cc2C)CC1	ZINC000735936983	924685727	/nfs/dbraw/zinc/68/57/27/924685727.db2.gz	BLLHRRSTKWAYKU-UHFFFAOYSA-N	1	0	371.437	1.840	20	30		FDEDRO
CN1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)CCC1=O	ZINC001085434090	924693888	/nfs/dbraw/zinc/69/38/88/924693888.db2.gz	TVOWNDKXZIINFE-GUDVDZBRSA-N	1	0	368.481	1.944	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](CC)c2c(C)noc2C)[C@@H](n2ccnn2)C1	ZINC001129321083	925061248	/nfs/dbraw/zinc/06/12/48/925061248.db2.gz	FXNLGXHIHZNXAP-ZACQAIPSSA-N	1	0	370.457	1.442	20	30		FDEDRO
C=CCn1c(C)nn(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1=S	ZINC000738214606	925138646	/nfs/dbraw/zinc/13/86/46/925138646.db2.gz	PDMQNFMSBIYTRY-INIZCTEOSA-N	1	0	350.536	1.578	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC001085867369	925339892	/nfs/dbraw/zinc/33/98/92/925339892.db2.gz	JWMZLUFZBUEOMP-ZIFCJYIRSA-N	1	0	356.470	1.710	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)C[C@H](NC(N)=O)c2ccccc2C)CC1	ZINC000740737129	925420796	/nfs/dbraw/zinc/42/07/96/925420796.db2.gz	BRMUBWNXQYUFRG-SFHVURJKSA-N	1	0	356.470	1.698	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CSCN2C(=O)c2ccccc2)CC1	ZINC000740736994	925421011	/nfs/dbraw/zinc/42/10/11/925421011.db2.gz	VJMJMQJGEUHXNJ-GOSISDBHSA-N	1	0	371.506	1.806	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)CC1	ZINC000741206041	925629881	/nfs/dbraw/zinc/62/98/81/925629881.db2.gz	VJERWTMZBOIZCG-RXVVDRJESA-N	1	0	369.509	1.737	20	30		FDEDRO
CC#CCN1CCO[C@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1	ZINC001108231369	925711526	/nfs/dbraw/zinc/71/15/26/925711526.db2.gz	SPYLITMTPORSSK-RZUBCFFCSA-N	1	0	369.509	1.562	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1	ZINC001086088676	925943230	/nfs/dbraw/zinc/94/32/30/925943230.db2.gz	LGZFTNPRTNEUOP-NKGKWGDASA-N	1	0	354.454	1.457	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ncnn2CCF)C1	ZINC001086089349	925944439	/nfs/dbraw/zinc/94/44/39/925944439.db2.gz	VZBGCNUKSSBQJY-QXSJWSMHSA-N	1	0	365.453	1.213	20	30		FDEDRO
C=C(Br)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1	ZINC001086111315	926024565	/nfs/dbraw/zinc/02/45/65/926024565.db2.gz	DIXCEUHYBIQMIZ-YVECIDJPSA-N	1	0	353.264	1.906	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCC[C@@H]2C)C1	ZINC001086201550	926284455	/nfs/dbraw/zinc/28/44/55/926284455.db2.gz	GUHASBXNEMHVSE-AVEIZBFRSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ncnn2CC)C1	ZINC001086219817	926318998	/nfs/dbraw/zinc/31/89/98/926318998.db2.gz	TXMRJSGUFSKKSM-DFGXFYAUSA-N	1	0	361.490	1.654	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCc2cnn(C)c2)C1	ZINC001086220623	926326464	/nfs/dbraw/zinc/32/64/64/926326464.db2.gz	IPXQUCHMERJHHN-RDGPPVDQSA-N	1	0	360.502	1.818	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1	ZINC001086223795	926342435	/nfs/dbraw/zinc/34/24/35/926342435.db2.gz	IVCVCIKXEAPSFZ-LVQVYYBASA-N	1	0	352.866	1.525	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nnc(CC)n2C)C1	ZINC001086223482	926352973	/nfs/dbraw/zinc/35/29/73/926352973.db2.gz	RUORFPRYHBSDSW-KRXQYRFLSA-N	1	0	361.490	1.343	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CN(CCOC)C(=O)OC(C)(C)C)CC1	ZINC000743489931	926377237	/nfs/dbraw/zinc/37/72/37/926377237.db2.gz	MSLHXVMSGUFIRM-UHFFFAOYSA-N	1	0	367.490	1.474	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)Cc2cccc(NS(C)(=O)=O)c2)CC1	ZINC000743493213	926379253	/nfs/dbraw/zinc/37/92/53/926379253.db2.gz	JPNGMMSZZOMFCF-UHFFFAOYSA-N	1	0	363.483	1.205	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1	ZINC000743679142	926427629	/nfs/dbraw/zinc/42/76/29/926427629.db2.gz	WFIQZJFYBKITBH-UHFFFAOYSA-N	1	0	373.432	1.147	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCC[N@H+]2CCC[C@H]2C)cc1	ZINC000743982472	926538939	/nfs/dbraw/zinc/53/89/39/926538939.db2.gz	POVCBZVQRYMHGY-CQSZACIVSA-N	1	0	373.457	1.533	20	30		FDEDRO
C#CCN(CC#CC)CC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1	ZINC000744410858	926668817	/nfs/dbraw/zinc/66/88/17/926668817.db2.gz	WAGHWRSDUDUVJX-UHFFFAOYSA-N	1	0	367.493	1.688	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H](NC(=O)CC[NH+](C)C)CC1	ZINC001066496961	926694506	/nfs/dbraw/zinc/69/45/06/926694506.db2.gz	LVGWKCPCGUTGRM-LNLFQRSKSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1	ZINC001086369718	926866459	/nfs/dbraw/zinc/86/64/59/926866459.db2.gz	XNJSXLQQAIXWBN-VIQHNZTISA-N	1	0	359.474	1.231	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)COC(=O)COc2cccc(C#N)c2)CC1	ZINC000744807981	926896589	/nfs/dbraw/zinc/89/65/89/926896589.db2.gz	FLZZRHYAJAATRI-UHFFFAOYSA-N	1	0	359.426	1.469	20	30		FDEDRO
COC(=O)/C=C1\SCC(=O)N1CCC[N@H+](C)Cc1cccc(C#N)c1	ZINC000745455803	927256213	/nfs/dbraw/zinc/25/62/13/927256213.db2.gz	LKFNBKPBXSXVLF-YVLHZVERSA-N	1	0	359.451	1.970	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cnn(CC#N)c2)C[N@@H+]1Cc1ccccc1	ZINC000746436600	928004905	/nfs/dbraw/zinc/00/49/05/928004905.db2.gz	WMZVUUFCZWTCKL-ZBFHGGJFSA-N	1	0	366.425	1.124	20	30		FDEDRO
Cc1nn2c(nc(C(C)C)c2C[NH2+]CCN/C(O)=C2/N=CC=CC2=O)s1	ZINC000766467334	928063703	/nfs/dbraw/zinc/06/37/03/928063703.db2.gz	DURSBNDGAJLQDN-NXVVXOECSA-N	1	0	374.470	1.839	20	30		FDEDRO
C[NH+]1CCN(c2cccc(Cl)c2C=Nn2c(=O)cn[nH]c2=S)CC1	ZINC000766481815	928095120	/nfs/dbraw/zinc/09/51/20/928095120.db2.gz	BSTXGIFMTVQEBJ-UHFFFAOYSA-N	1	0	364.862	1.214	20	30		FDEDRO
Cc1cnc(C[NH3+])n1-c1ccccc1COC(=O)ON1C(=O)CCC1=O	ZINC001169029194	928228095	/nfs/dbraw/zinc/22/80/95/928228095.db2.gz	NMHJDNQFQVTVCI-UHFFFAOYSA-N	1	0	358.354	1.357	20	30		FDEDRO
C=CCN1C(=O)CCC12CC[NH+]([C@@H]1CC[C@@H](C(=O)OCC)OC1)CC2	ZINC001169386204	928526875	/nfs/dbraw/zinc/52/68/75/928526875.db2.gz	LJKLMKUWDGNOCR-CVEARBPZSA-N	1	0	350.459	1.740	20	30		FDEDRO
C=CC[NH+](CC=C)CCN1CCN([C@@H]2CC[C@@H](C(=O)OCC)OC2)CC1	ZINC001169418735	928570051	/nfs/dbraw/zinc/57/00/51/928570051.db2.gz	OQAQZPDDBLLCKG-MOPGFXCFSA-N	1	0	365.518	1.389	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)CCc2ncccn2)[C@@H](n2ccnn2)C1	ZINC001129333347	928696450	/nfs/dbraw/zinc/69/64/50/928696450.db2.gz	PLXXQMCCSSFVPW-CVEARBPZSA-N	1	0	355.446	1.009	20	30		FDEDRO
CCCCCCC[NH+]1CC(N2C[C@H](NC(=O)[C@]34C[C@H]3COC4)CC2=O)C1	ZINC001108548463	928901593	/nfs/dbraw/zinc/90/15/93/928901593.db2.gz	OQWXWWFWBYPQJZ-YRNRMSPPSA-N	1	0	363.502	1.395	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCCCC)C2)C1	ZINC001108544375	928904745	/nfs/dbraw/zinc/90/47/45/928904745.db2.gz	BQGITQRBXFCAHA-JQHSSLGASA-N	1	0	363.502	1.559	20	30		FDEDRO
COC(=O)n1ncc(C#N)c1Nc1ccc(C(=O)N2CC[NH2+]CC2)cc1	ZINC001169968740	928969290	/nfs/dbraw/zinc/96/92/90/928969290.db2.gz	GADHMRSNYAXBTQ-UHFFFAOYSA-N	1	0	354.370	1.158	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000767025585	929054189	/nfs/dbraw/zinc/05/41/89/929054189.db2.gz	RGROPNQSHIXHFH-MSOLQXFVSA-N	1	0	370.453	1.011	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cn(-c3ccc(F)cc3C)nn2)CC1	ZINC000767567974	929445710	/nfs/dbraw/zinc/44/57/10/929445710.db2.gz	LKPQBYOIEDBWAV-UHFFFAOYSA-N	1	0	355.417	1.932	20	30		FDEDRO
C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCNC(C)=O)CC1	ZINC001109674368	930117360	/nfs/dbraw/zinc/11/73/60/930117360.db2.gz	FBSOZKMZFMVFHB-QYZOEREBSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2C(=O)CNC2=O)CCC1	ZINC001109680537	930120919	/nfs/dbraw/zinc/12/09/19/930120919.db2.gz	MZAULNWATJDGPN-ILXRZTDVSA-N	1	0	360.458	1.006	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CCC(N)=O)cc1)C2	ZINC001109700755	930186069	/nfs/dbraw/zinc/18/60/69/930186069.db2.gz	ZZWCWYZZMVVRCU-QYZOEREBSA-N	1	0	371.481	1.642	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2	ZINC001109715853	930193521	/nfs/dbraw/zinc/19/35/21/930193521.db2.gz	GSAMQKYCJCPEBK-JSRQGNBESA-N	1	0	351.491	1.711	20	30		FDEDRO
C#CC(C)(C)[NH2+][C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1	ZINC001170016215	930211960	/nfs/dbraw/zinc/21/19/60/930211960.db2.gz	XQYSODQZGBIULE-KGLIPLIRSA-N	1	0	367.515	1.899	20	30		FDEDRO
COC(=O)C[C@]1([NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)CCCOC1	ZINC000770707713	930219668	/nfs/dbraw/zinc/21/96/68/930219668.db2.gz	MNBVSFAEVQDWHK-QGZVFWFLSA-N	1	0	365.817	1.852	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nc1	ZINC000746121247	930343499	/nfs/dbraw/zinc/34/34/99/930343499.db2.gz	IWHKFCFQQAIXEE-FQEVSTJZSA-N	1	0	365.437	1.118	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnnn1-c1ccccc1)C2	ZINC001109767747	930367448	/nfs/dbraw/zinc/36/74/48/930367448.db2.gz	JHPCDOZCFYBSNM-SQNIBIBYSA-N	1	0	367.453	1.805	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2	ZINC001109798287	930435148	/nfs/dbraw/zinc/43/51/48/930435148.db2.gz	DFDWTPMKJRIEDA-OWSLCNJRSA-N	1	0	362.518	1.273	20	30		FDEDRO
CCOC(=O)Nc1ccc(NC(=O)NCCOCC[NH+](C)C)cc1C#N	ZINC000771180210	930515474	/nfs/dbraw/zinc/51/54/74/930515474.db2.gz	HZUVVEHOEYQXNM-UHFFFAOYSA-N	1	0	363.418	1.826	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnn1C1CCOCC1)C2	ZINC001109825132	930527855	/nfs/dbraw/zinc/52/78/55/930527855.db2.gz	WYIKVEBGCNEKTO-SQNIBIBYSA-N	1	0	374.485	1.772	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn3nc(C)cc3[nH]c1=O)C2	ZINC001109840369	930552305	/nfs/dbraw/zinc/55/23/05/930552305.db2.gz	NZPXZYTUTNWCPT-KBMXLJTQSA-N	1	0	355.442	1.632	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2	ZINC001109960876	930889482	/nfs/dbraw/zinc/88/94/82/930889482.db2.gz	BKIZXNRYNQNKDK-QYZOEREBSA-N	1	0	374.529	1.132	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(N3CCCC3)nn1)C2	ZINC001109964401	930923125	/nfs/dbraw/zinc/92/31/25/930923125.db2.gz	LMTPJZYJJPYVAX-NJAFHUGGSA-N	1	0	371.485	1.615	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2	ZINC001109976165	930933663	/nfs/dbraw/zinc/93/36/63/930933663.db2.gz	UNOMVFWOWPPQEE-YRXWBPOGSA-N	1	0	374.529	1.250	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2cc(C)nn2C(C)(C)C)CC1	ZINC000772108514	931078712	/nfs/dbraw/zinc/07/87/12/931078712.db2.gz	FDSDDGGQOGSXQC-UHFFFAOYSA-N	1	0	360.458	1.773	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NCc1ccccc1C[NH+](CC)CC)[C@H]1CCCO1	ZINC000785574640	931515509	/nfs/dbraw/zinc/51/55/09/931515509.db2.gz	PXPXIAJCPNUNRP-RBUKOAKNSA-N	1	0	371.481	1.442	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C(=O)N(C)C(C)C)CC1)C2	ZINC001112554093	931536996	/nfs/dbraw/zinc/53/69/96/931536996.db2.gz	ZHOFNVGIXLXLGZ-PXNSSMCTSA-N	1	0	359.514	1.875	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1cnccn1)C2	ZINC001112557737	931547413	/nfs/dbraw/zinc/54/74/13/931547413.db2.gz	VNMIBMZZLADBHG-PXNSSMCTSA-N	1	0	358.486	1.830	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1nocc1C)C2	ZINC001112558138	931550761	/nfs/dbraw/zinc/55/07/61/931550761.db2.gz	RKCPLTZKJWDJHU-VCBZYWHSSA-N	1	0	360.458	1.506	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C1CC1)C1CC1)C2	ZINC001112560353	931571443	/nfs/dbraw/zinc/57/14/43/931571443.db2.gz	SVUUKGCUQBWWMM-VPKVUBIPSA-N	1	0	371.525	1.779	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC(=O)NCCCOC)C2	ZINC001112561177	931586836	/nfs/dbraw/zinc/58/68/36/931586836.db2.gz	KSANMMIWLYQVIT-PXNSSMCTSA-N	1	0	363.502	1.161	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CS(=O)(=O)CCCCC)C2	ZINC001112562857	931596470	/nfs/dbraw/zinc/59/64/70/931596470.db2.gz	RGXSQOLWOXXQMO-HKUYNNGSSA-N	1	0	368.543	1.833	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)c1cccnc1)C2	ZINC001112564650	931608711	/nfs/dbraw/zinc/60/87/11/931608711.db2.gz	HRKQIGAFUJJQNH-MDKPJZGXSA-N	1	0	370.497	1.706	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC#CCOC)C2)cn1	ZINC001112566299	931618451	/nfs/dbraw/zinc/61/84/51/931618451.db2.gz	VOZKXSIAADMYNZ-RXVVDRJESA-N	1	0	351.450	1.545	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1Cc3cccnc3C1)C2	ZINC001112570998	931653148	/nfs/dbraw/zinc/65/31/48/931653148.db2.gz	ZNKVUEBUSLUYEJ-DXIQSLLYSA-N	1	0	367.493	1.665	20	30		FDEDRO
Cc1ccc(C)c(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)c1	ZINC001112569151	931657798	/nfs/dbraw/zinc/65/77/98/931657798.db2.gz	HUGOPVOHFVTEDV-UWJYYQICSA-N	1	0	368.481	1.775	20	30		FDEDRO
Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)c(C)c1	ZINC001112572684	931670184	/nfs/dbraw/zinc/67/01/84/931670184.db2.gz	LYFZOICQXIFVIT-UWJYYQICSA-N	1	0	368.481	1.775	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1C(=O)NC(C)(C)C1=O)C2	ZINC001112573722	931676334	/nfs/dbraw/zinc/67/63/34/931676334.db2.gz	SPYIKELTAMIDOP-LIRRHRJNSA-N	1	0	362.474	1.111	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)c1ccc(F)cc1)C2	ZINC001112574025	931679790	/nfs/dbraw/zinc/67/97/90/931679790.db2.gz	KEBAIKZZKNKYCL-JXFKEZNVSA-N	1	0	357.429	1.407	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)NC(=O)c1ccccc1)C2	ZINC001112574604	931684778	/nfs/dbraw/zinc/68/47/78/931684778.db2.gz	QNXQYXDHDBWGBK-MMOPVJDHSA-N	1	0	353.466	1.656	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1C(=O)CCC1=O)C2	ZINC001112575313	931703613	/nfs/dbraw/zinc/70/36/13/931703613.db2.gz	COPGNPNNAXYPQS-FTRWYGJKSA-N	1	0	361.486	1.708	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1nc3ncccn3n1)C2	ZINC001112578578	931734546	/nfs/dbraw/zinc/73/45/46/931734546.db2.gz	VLULYPYJKUVUHM-KXBFYZLASA-N	1	0	354.458	1.461	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C1CC1)N1CCOCC1)C2	ZINC001112582565	931750704	/nfs/dbraw/zinc/75/07/04/931750704.db2.gz	CVZBXZBQZUVNEM-ZVDOUQERSA-N	1	0	361.530	1.892	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCS(=O)(=O)N(C)C)C2	ZINC001112583677	931756875	/nfs/dbraw/zinc/75/68/75/931756875.db2.gz	DWDZSJTUWNUGBR-WMZOPIPTSA-N	1	0	371.547	1.452	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCCCC)C1	ZINC001112588644	931798221	/nfs/dbraw/zinc/79/82/21/931798221.db2.gz	MJGGCWZGSPDIPP-PXNSSMCTSA-N	1	0	365.518	1.714	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(C)C2CC2)C1	ZINC001112588984	931800963	/nfs/dbraw/zinc/80/09/63/931800963.db2.gz	FUHAQBUMLJXCBA-GUXCAODWSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cnsn2)C1	ZINC001112589056	931802220	/nfs/dbraw/zinc/80/22/20/931802220.db2.gz	JGYHZYXQXRLFHI-ZQIUZPCESA-N	1	0	350.488	1.848	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)c2nncn2C)C1	ZINC001112589266	931802833	/nfs/dbraw/zinc/80/28/33/931802833.db2.gz	RRDPUSRADBBRPJ-BXWFABGCSA-N	1	0	361.490	1.687	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1cscn1)C2	ZINC001112589609	931806989	/nfs/dbraw/zinc/80/69/89/931806989.db2.gz	IVBMDSUYFPIFLD-LPHOPBHVSA-N	1	0	361.511	1.944	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)CC1CCCCC1)C2	ZINC001112592059	931824373	/nfs/dbraw/zinc/82/43/73/931824373.db2.gz	UAULEUJNJBTXKA-RXVVDRJESA-N	1	0	359.514	1.925	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCNC(=O)[C@H]1CCCO1)C2	ZINC001112592272	931827138	/nfs/dbraw/zinc/82/71/38/931827138.db2.gz	GUKAWOKMRZHDIK-QKLQHJQFSA-N	1	0	363.502	1.466	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COC[C@H]1CCCO1)C2	ZINC001112592986	931843119	/nfs/dbraw/zinc/84/31/19/931843119.db2.gz	RFXQSLXRUGULOA-NSHGMRRFSA-N	1	0	366.502	1.603	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCCCCC1)[C@@H]1CCCO1	ZINC000786629604	931979627	/nfs/dbraw/zinc/97/96/27/931979627.db2.gz	SQIJJSJEZYQXPL-KSZLIROESA-N	1	0	363.502	1.300	20	30		FDEDRO
c1cnn(-c2ccc(N=NC3CCOC[C@@H]3C[NH+]3CCCCC3)nn2)c1	ZINC000787153727	932197932	/nfs/dbraw/zinc/19/79/32/932197932.db2.gz	PSOGWUZMJBTLQE-HNNXBMFYSA-N	1	0	355.446	1.953	20	30		FDEDRO
C[C@@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1)C(=O)NC1(C#N)CCC1	ZINC000787299186	932255218	/nfs/dbraw/zinc/25/52/18/932255218.db2.gz	NGIKEEARNFANMU-OCCSQVGLSA-N	1	0	350.463	1.830	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1C#N	ZINC000787668188	932363337	/nfs/dbraw/zinc/36/33/37/932363337.db2.gz	DTKZNQUMZVNBMY-CQSZACIVSA-N	1	0	358.442	1.031	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1	ZINC000787671508	932364281	/nfs/dbraw/zinc/36/42/81/932364281.db2.gz	QYYBJQHZMRIYAK-UHFFFAOYSA-N	1	0	360.296	1.782	20	30		FDEDRO
N#CCCNS(=O)(=O)c1ccc(C(=O)OCCC[NH+]2CCCC2)cc1	ZINC000787983521	932521326	/nfs/dbraw/zinc/52/13/26/932521326.db2.gz	SEEBPHCIFVVFMK-UHFFFAOYSA-N	1	0	365.455	1.521	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccncc1	ZINC000788241333	932614200	/nfs/dbraw/zinc/61/42/00/932614200.db2.gz	FLMNXSLFHQDBJS-CRAIPNDOSA-N	1	0	362.499	1.369	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)NCc2ccc(OC)c(C#N)c2)CC1	ZINC000746743222	932656571	/nfs/dbraw/zinc/65/65/71/932656571.db2.gz	XCMGVZWDTZKGMY-MRXNPFEDSA-N	1	0	373.501	1.640	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)c1ccncc1	ZINC000788462383	932704761	/nfs/dbraw/zinc/70/47/61/932704761.db2.gz	ZAODXDGHSTZZAI-SFHVURJKSA-N	1	0	356.470	1.806	20	30		FDEDRO
N#CCCn1cc(CNC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(-c2ccncc2)n1	ZINC000788512707	932719975	/nfs/dbraw/zinc/71/99/75/932719975.db2.gz	MZCASFGCPWWXKF-OALUTQOASA-N	1	0	366.469	1.812	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)C[NH+]2CCCCC2)n1	ZINC000788865674	932842912	/nfs/dbraw/zinc/84/29/12/932842912.db2.gz	AFEMHIINTMWJIQ-QGZVFWFLSA-N	1	0	361.490	1.549	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H](C)[NH+]2CCCCC2)n1	ZINC000788895325	932867668	/nfs/dbraw/zinc/86/76/68/932867668.db2.gz	ZFMRPFBITSMAHU-QGZVFWFLSA-N	1	0	361.490	1.549	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)c2sccc2C[NH+](C)C)n1	ZINC000790108716	933356939	/nfs/dbraw/zinc/35/69/39/933356939.db2.gz	BXWOTKLAPDQNMV-UHFFFAOYSA-N	1	0	360.483	1.928	20	30		FDEDRO
C=CC[C@]1(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)CCCN1C(=O)OC(C)(C)C	ZINC000790891699	933773730	/nfs/dbraw/zinc/77/37/30/933773730.db2.gz	AKZSIJXSKIDCST-RTBURBONSA-N	1	0	367.490	1.515	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CCC(=O)NC2)C1	ZINC001086592509	933815824	/nfs/dbraw/zinc/81/58/24/933815824.db2.gz	QYRQKMKAVAHEIE-YTQUADARSA-N	1	0	353.466	1.510	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2CCCNC2=O)C1	ZINC001086596799	933938634	/nfs/dbraw/zinc/93/86/34/933938634.db2.gz	UAWYAMLUKFMOHI-ZWKOTPCHSA-N	1	0	354.454	1.009	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnn3cccnc23)C1	ZINC001086602746	934160302	/nfs/dbraw/zinc/16/03/02/934160302.db2.gz	QWBBUGXFCUWYJU-RBUKOAKNSA-N	1	0	359.433	1.950	20	30		FDEDRO
C[N@@H+]1CC[C@@]2(CCN(CN3CC(=O)N(Cc4ccc(C#N)cc4)C3=O)C2)C1	ZINC000793763634	934252818	/nfs/dbraw/zinc/25/28/18/934252818.db2.gz	DJCSRTJPFQYRCG-HXUWFJFHSA-N	1	0	367.453	1.308	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCN(C(=O)CC)C2)C1	ZINC001086618592	938334817	/nfs/dbraw/zinc/33/48/17/938334817.db2.gz	ZTILTOKEJWQMCX-SLFFLAALSA-N	1	0	367.493	1.852	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H](c2ccccc2)O1	ZINC001114294153	938390935	/nfs/dbraw/zinc/39/09/35/938390935.db2.gz	UXVPWKDPNUQQPJ-RMMWZPCPSA-N	1	0	354.450	1.603	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)[nH]c2)[C@@H](n2ccnn2)C1	ZINC001129411635	938406613	/nfs/dbraw/zinc/40/66/13/938406613.db2.gz	ATJLWYYDKJZYJB-IMJJTQAJSA-N	1	0	356.430	1.389	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)CCc2ccccc2OC)[C@@H](n2ccnn2)C1	ZINC001129421605	938411119	/nfs/dbraw/zinc/41/11/19/938411119.db2.gz	AWMDJGAVTNBYIW-MSOLQXFVSA-N	1	0	369.469	1.837	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)COc2ccc(C)cc2)[C@@H](n2ccnn2)C1	ZINC001129422254	938411990	/nfs/dbraw/zinc/41/19/90/938411990.db2.gz	NZSCGGILVOIAPA-MSOLQXFVSA-N	1	0	353.426	1.030	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CCCc2ccccn2)[C@@H](n2ccnn2)C1	ZINC001129403738	938416715	/nfs/dbraw/zinc/41/67/15/938416715.db2.gz	GWQVZGKYCGTKCV-MSOLQXFVSA-N	1	0	352.442	1.061	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@@H]1n1ccnn1	ZINC001129481476	938434363	/nfs/dbraw/zinc/43/43/63/938434363.db2.gz	LWHBVNHPZWJQHU-NXHRZFHOSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001129481894	938434369	/nfs/dbraw/zinc/43/43/69/938434369.db2.gz	QOIYINCJQMFIKC-QRQLOZEOSA-N	1	0	369.469	1.719	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCn2ccnc2)[C@@H](n2ccnn2)C1	ZINC001129484704	938439831	/nfs/dbraw/zinc/43/98/31/938439831.db2.gz	BYRMCNXSQHDJLT-KSZLIROESA-N	1	0	371.489	1.651	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2nonc2C)[C@@H](n2ccnn2)C1	ZINC001129484864	938440476	/nfs/dbraw/zinc/44/04/76/938440476.db2.gz	MDECAWMRDUQMHQ-CABCVRRESA-N	1	0	361.450	1.595	20	30		FDEDRO
O=C(c1ccccc1)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129533867	938447010	/nfs/dbraw/zinc/44/70/10/938447010.db2.gz	SXWVNGLLVJVYIW-RTWAWAEBSA-N	1	0	371.444	1.985	20	30		FDEDRO
CC[C@@H](C)C(=O)N1C[C@@H]([NH2+]CC#Cc2ccc(F)cc2)[C@@H](n2ccnn2)C1	ZINC001129582642	938458409	/nfs/dbraw/zinc/45/84/09/938458409.db2.gz	LXRSQMMLQUZDGG-LZQZEXGQSA-N	1	0	369.444	1.857	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccccc2O)C[C@@H]1n1ccnn1	ZINC001129582364	938460560	/nfs/dbraw/zinc/46/05/60/938460560.db2.gz	DQIGOVSUARWXMP-UAGQMJEPSA-N	1	0	355.442	1.994	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n2ccnn2)C1	ZINC001129656299	938483178	/nfs/dbraw/zinc/48/31/78/938483178.db2.gz	OFIFASOKOWYATB-CLDKDVBBSA-N	1	0	353.854	1.353	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCC(F)(F)C2)[C@@H](n2ccnn2)C1	ZINC001129681022	938484098	/nfs/dbraw/zinc/48/40/98/938484098.db2.gz	JHXTUHNMYWTOPX-KFWWJZLASA-N	1	0	369.416	1.258	20	30		FDEDRO
C#CCNc1nc(NCC2(OC)CCC2)[nH+]c(NCC2(OC)CCC2)n1	ZINC000804603630	938485044	/nfs/dbraw/zinc/48/50/44/938485044.db2.gz	STUMYPWRZPJQTR-UHFFFAOYSA-N	1	0	360.462	1.879	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)C(=O)C(C)(C)C)C[C@@H]1n1ccnn1	ZINC001129691281	938486412	/nfs/dbraw/zinc/48/64/12/938486412.db2.gz	TVVIXUMMTOVHJT-CVEARBPZSA-N	1	0	361.490	1.981	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccncc2F)C[C@@H]1n1ccnn1	ZINC001129703389	938489216	/nfs/dbraw/zinc/48/92/16/938489216.db2.gz	AMPXBUVTOQXWCY-XYPHTWIQSA-N	1	0	358.421	1.822	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C)n2)C[C@@H]1n1ccnn1	ZINC001129703590	938489479	/nfs/dbraw/zinc/48/94/79/938489479.db2.gz	HAEJCMYLEUHRLA-SJORKVTESA-N	1	0	357.462	1.711	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129675483	938490409	/nfs/dbraw/zinc/49/04/09/938490409.db2.gz	NRSRONOUFJGOCO-QRQLOZEOSA-N	1	0	369.469	1.801	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H]([NH2+]CC2CC(C)C2)[C@@H](n2ccnn2)C1	ZINC001129732902	938496238	/nfs/dbraw/zinc/49/62/38/938496238.db2.gz	KASSYXOKXHGHAB-HIEASXQVSA-N	1	0	361.490	1.649	20	30		FDEDRO
CC/C=C\CC[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1n1ccnn1	ZINC001129737436	938497505	/nfs/dbraw/zinc/49/75/05/938497505.db2.gz	OUMOCUMZIDSWNG-DSLCMKTCSA-N	1	0	353.430	1.489	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H]([NH2+]Cc2ccccc2C)[C@@H](n2ccnn2)C1	ZINC001129795832	938509293	/nfs/dbraw/zinc/50/92/93/938509293.db2.gz	QVZHUIVBYDYSGO-WSTZPKSXSA-N	1	0	369.469	1.455	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2nn(C)cc2C)C[C@@H]1n1ccnn1	ZINC001129817338	938521302	/nfs/dbraw/zinc/52/13/02/938521302.db2.gz	XFXVNAKVJSMFOA-XHSDSOJGSA-N	1	0	357.462	1.330	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H]([NH2+]CC2CC3(CCC3)C2)[C@@H](n2ccnn2)C1	ZINC001129822261	938522194	/nfs/dbraw/zinc/52/21/94/938522194.db2.gz	NBYLWTZGLPELMF-MSOLQXFVSA-N	1	0	355.486	1.859	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]Cc2cccc(OC)c2)[C@@H](n2ccnn2)C1	ZINC001129829200	938523428	/nfs/dbraw/zinc/52/34/28/938523428.db2.gz	AELBVEQHZVVOME-MOPGFXCFSA-N	1	0	367.453	1.632	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)CCC3)C[C@@H]1n1ccnn1	ZINC001129856171	938528986	/nfs/dbraw/zinc/52/89/86/938528986.db2.gz	ZOOZMUSCMIOCLA-INMHGKMJSA-N	1	0	369.473	1.431	20	30		FDEDRO
C=CCCOCCCCC(=O)N1C[C@@H]([NH2+]CC(=C)C)[C@@H](n2ccnn2)C1	ZINC001129837796	938534927	/nfs/dbraw/zinc/53/49/27/938534927.db2.gz	MAUBCSUGVOCDMH-MSOLQXFVSA-N	1	0	361.490	1.959	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2c[nH]cn2)C[C@@H]1n1ccnn1	ZINC001129887532	938540130	/nfs/dbraw/zinc/54/01/30/938540130.db2.gz	DGQRAQKBWITRLV-UAGQMJEPSA-N	1	0	357.462	1.330	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCc2ccccc2Cl)C[C@@H]1n1ccnn1	ZINC001129892260	938542958	/nfs/dbraw/zinc/54/29/58/938542958.db2.gz	ORVPQESOOOICRC-MSOLQXFVSA-N	1	0	371.872	1.929	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c3c(nn2C)CCCC3)C[C@@H]1n1ccnn1	ZINC001129871436	938544848	/nfs/dbraw/zinc/54/48/48/938544848.db2.gz	JRBVMWTVELCECZ-SJORKVTESA-N	1	0	369.473	1.122	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccnn2[C@@H](C)CC)C[C@@H]1n1ccnn1	ZINC001129876190	938546485	/nfs/dbraw/zinc/54/64/85/938546485.db2.gz	DWSYWUSNCCRQGG-UXLLHSPISA-N	1	0	355.446	1.124	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccnn2[C@H](C)CC)C[C@@H]1n1ccnn1	ZINC001129876366	938546719	/nfs/dbraw/zinc/54/67/19/938546719.db2.gz	NRSMCGOQBZGXLG-INMHGKMJSA-N	1	0	357.462	1.677	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2nc(CC)c[nH]2)C[C@@H]1n1ccnn1	ZINC001129904793	938547935	/nfs/dbraw/zinc/54/79/35/938547935.db2.gz	LTEHPQBPXTYWAY-CVEARBPZSA-N	1	0	357.462	1.114	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc3cc[nH]c3c2)C[C@@H]1n1ccnn1	ZINC001129906973	938549045	/nfs/dbraw/zinc/54/90/45/938549045.db2.gz	JXENLUAFWMIKBO-SJORKVTESA-N	1	0	351.414	1.386	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2c(C)noc2C)C[C@@H]1n1ccnn1	ZINC001129914784	938552560	/nfs/dbraw/zinc/55/25/60/938552560.db2.gz	HHKXDFHFVJRFOF-XYPHTWIQSA-N	1	0	370.457	1.442	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C2(COCC)CC2)C[C@@H]1n1ccnn1	ZINC001129917547	938554531	/nfs/dbraw/zinc/55/45/31/938554531.db2.gz	WCQSMXVTJQZELC-BBWFWOEESA-N	1	0	361.490	1.791	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H]([NH2+]CC3CCOCC3)[C@@H](n3ccnn3)C2)CCC1	ZINC001129894389	938555792	/nfs/dbraw/zinc/55/57/92/938555792.db2.gz	DYXSARMHGAELCM-MSOLQXFVSA-N	1	0	371.485	1.240	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(F)F)n(C)n2)C[C@@H]1n1ccnn1	ZINC001129932416	938562638	/nfs/dbraw/zinc/56/26/38/938562638.db2.gz	XMVBBJFYCZTENW-OCCSQVGLSA-N	1	0	365.388	1.181	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cccn3nccc23)C[C@@H]1n1ccnn1	ZINC001129923716	938569729	/nfs/dbraw/zinc/56/97/29/938569729.db2.gz	RXZYVWUDXRTUQX-AEFFLSMTSA-N	1	0	365.441	1.547	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc3c(c2)CCO3)C[C@@H]1n1ccnn1	ZINC001129949089	938573836	/nfs/dbraw/zinc/57/38/36/938573836.db2.gz	OKQFYSSAXCCDPK-MSOLQXFVSA-N	1	0	367.453	1.373	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)c2csnn2)C[C@@H]1n1ccnn1	ZINC001129949280	938574134	/nfs/dbraw/zinc/57/41/34/938574134.db2.gz	WTWVITRLBCWNHG-HIFRSBDPSA-N	1	0	363.491	1.755	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]CCOCC=C)[C@@H](n3ccnn3)C2)cc1	ZINC001129952294	938575382	/nfs/dbraw/zinc/57/53/82/938575382.db2.gz	NFGDZUWJOHFOMJ-MOPGFXCFSA-N	1	0	365.437	1.117	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n2ccnn2)C1	ZINC001129954691	938576601	/nfs/dbraw/zinc/57/66/01/938576601.db2.gz	ZLURMVYVVIWMAR-PNLAMBHWSA-N	1	0	367.881	1.601	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)C2CCC2)C[C@@H]1n1ccnn1	ZINC001129945092	938580470	/nfs/dbraw/zinc/58/04/70/938580470.db2.gz	BZGZMNLNWVQWDH-SJORKVTESA-N	1	0	359.474	1.096	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2occ3c2CCOC3)C[C@@H]1n1ccnn1	ZINC001129945118	938580476	/nfs/dbraw/zinc/58/04/76/938580476.db2.gz	DMXNDSLQWMKIGP-SJORKVTESA-N	1	0	371.441	1.565	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)COCC(F)F)C[C@@H]1n1ccnn1	ZINC001129947747	938582285	/nfs/dbraw/zinc/58/22/85/938582285.db2.gz	NZHGAVVQQWJZAE-KGLIPLIRSA-N	1	0	371.432	1.504	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1	ZINC001129977847	938593191	/nfs/dbraw/zinc/59/31/91/938593191.db2.gz	HXTCCHVQLOAGOT-JQHSSLGASA-N	1	0	354.458	1.817	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3ccccc32)C[C@@H]1n1ccnn1	ZINC001129983352	938598444	/nfs/dbraw/zinc/59/84/44/938598444.db2.gz	YMWWKHREGQZYMD-QRVBRYPASA-N	1	0	351.454	1.926	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cncc3sccc32)C[C@@H]1n1ccnn1	ZINC001129976193	938600367	/nfs/dbraw/zinc/60/03/67/938600367.db2.gz	HJRJYXYLYWFXIM-CVEARBPZSA-N	1	0	366.450	1.566	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cncnc2)C[C@@H]1n1ccnn1	ZINC001129976602	938600964	/nfs/dbraw/zinc/60/09/64/938600964.db2.gz	RXILXOUJZWMLRS-UAGQMJEPSA-N	1	0	355.446	1.180	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]([NH2+]CCOC(C)C)[C@@H](n3ccnn3)C2)CCC1	ZINC001129994508	938603216	/nfs/dbraw/zinc/60/32/16/938603216.db2.gz	RVLSXJKKUHNCFN-SJORKVTESA-N	1	0	361.490	1.791	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H]([NH2+]CCOCC2CC2)[C@@H](n2ccnn2)C1	ZINC001129995809	938604427	/nfs/dbraw/zinc/60/44/27/938604427.db2.gz	KLABJUMBGISTOO-ZIFCJYIRSA-N	1	0	361.490	1.649	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCc3nc(C)ncc32)CC1	ZINC000804894215	938611296	/nfs/dbraw/zinc/61/12/96/938611296.db2.gz	XDEWRAVODHSHRO-KRWDZBQOSA-N	1	0	357.458	1.045	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2cc(C)cc(C)c2)C[C@@H]1n1ccnn1	ZINC001129990224	938612586	/nfs/dbraw/zinc/61/25/86/938612586.db2.gz	SJFNRKDSFJCDLR-MOPGFXCFSA-N	1	0	351.454	1.502	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc3c2OCC3)C[C@@H]1n1ccnn1	ZINC001130014766	938616288	/nfs/dbraw/zinc/61/62/88/938616288.db2.gz	DTMOHTHGYYRQSO-SJORKVTESA-N	1	0	353.426	1.444	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccco2)C[C@@H]1n1ccnn1	ZINC001130017418	938617688	/nfs/dbraw/zinc/61/76/88/938617688.db2.gz	HPOMALBTUYIFCE-VQHPVUNQSA-N	1	0	355.442	1.983	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccco2)C[C@@H]1n1ccnn1	ZINC001130017409	938617765	/nfs/dbraw/zinc/61/77/65/938617765.db2.gz	GWJLEICNEAUOHG-VQHPVUNQSA-N	1	0	371.441	1.219	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3cnccc3n2)C[C@@H]1n1ccnn1	ZINC001130017772	938618258	/nfs/dbraw/zinc/61/82/58/938618258.db2.gz	XTAXYMPHKYIFLR-MSOLQXFVSA-N	1	0	363.425	1.453	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCCO2)[C@@H](n2ccnn2)C1	ZINC001130022717	938620644	/nfs/dbraw/zinc/62/06/44/938620644.db2.gz	JVQAKCNDSDJYLP-BBWFWOEESA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H]([NH2+]Cc2cn(C)nc2C)[C@@H](n2ccnn2)C1	ZINC001130022635	938620657	/nfs/dbraw/zinc/62/06/57/938620657.db2.gz	GISVEOXOUNHERA-SJORKVTESA-N	1	0	371.489	1.464	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cccnc2C)C[C@@H]1n1ccnn1	ZINC001130005714	938622673	/nfs/dbraw/zinc/62/26/73/938622673.db2.gz	DZWNXRYYTQMTNW-LZQZEXGQSA-N	1	0	368.485	1.920	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC/C=C/CC)[C@@H](n2ccnn2)C1	ZINC001130009242	938625819	/nfs/dbraw/zinc/62/58/19/938625819.db2.gz	DSUIROKUTKNOOX-XMURRGPJSA-N	1	0	359.474	1.567	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130040745	938627184	/nfs/dbraw/zinc/62/71/84/938627184.db2.gz	JZLQDSPESSZAHJ-BNDYYXHWSA-N	1	0	363.465	1.837	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cn2ccnc2C(C)C)C[C@@H]1n1ccnn1	ZINC001130026682	938629465	/nfs/dbraw/zinc/62/94/65/938629465.db2.gz	YYQAGHKUMZQKJZ-CVEARBPZSA-N	1	0	357.462	1.216	20	30		FDEDRO
C#CCCCS(=O)(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000804957698	938629719	/nfs/dbraw/zinc/62/97/19/938629719.db2.gz	QSDBCHCLARFSKM-UHFFFAOYSA-N	1	0	363.527	1.922	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2(c3cccc(F)c3)CC2)C[C@@H]1n1ccnn1	ZINC001130028657	938631063	/nfs/dbraw/zinc/63/10/63/938631063.db2.gz	ZEJWSVILFRREHL-MSOLQXFVSA-N	1	0	367.428	1.514	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3cccnn32)C[C@@H]1n1ccnn1	ZINC001130030443	938631993	/nfs/dbraw/zinc/63/19/93/938631993.db2.gz	ALNKBGBFLNRXKV-WBVHZDCISA-N	1	0	351.414	1.157	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H]([NH2+]CCC=C)[C@@H](n3ccnn3)C2)cc1	ZINC001130030819	938632506	/nfs/dbraw/zinc/63/25/06/938632506.db2.gz	SJSKBTOPRPESQW-MOPGFXCFSA-N	1	0	365.437	1.522	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cn(CC=C)nn2)C[C@@H]1n1ccnn1	ZINC001130033245	938633640	/nfs/dbraw/zinc/63/36/40/938633640.db2.gz	ZPYGVHRETNODDS-INMHGKMJSA-N	1	0	370.461	1.066	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(COC)on2)C[C@@H]1n1ccnn1	ZINC001130033682	938634237	/nfs/dbraw/zinc/63/42/37/938634237.db2.gz	AXWIMYRBVRYKAL-CVEARBPZSA-N	1	0	360.418	1.034	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2cc(F)ccc2OC)C[C@@H]1n1ccnn1	ZINC001130050303	938637192	/nfs/dbraw/zinc/63/71/92/938637192.db2.gz	RYHDLTXUCBDEJZ-SJORKVTESA-N	1	0	371.416	1.033	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3ccccc3O2)C[C@@H]1n1ccnn1	ZINC001130054827	938639863	/nfs/dbraw/zinc/63/98/63/938639863.db2.gz	RDNCWUDCUKJGBO-ZIFCJYIRSA-N	1	0	367.453	1.590	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2c(C)n[nH]c2C)C[C@@H]1n1ccnn1	ZINC001130044004	938643048	/nfs/dbraw/zinc/64/30/48/938643048.db2.gz	KWGXRSXWSKRDGY-MAZHCROVSA-N	1	0	357.462	1.339	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)COC3)C[C@@H]1n1ccnn1	ZINC001130047141	938646304	/nfs/dbraw/zinc/64/63/04/938646304.db2.gz	YKKZZRUYFPFADP-MOPGFXCFSA-N	1	0	367.453	1.930	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2coc(CC3CC3)n2)C[C@@H]1n1ccnn1	ZINC001130062826	938651313	/nfs/dbraw/zinc/65/13/13/938651313.db2.gz	YTHPTJUZSDFXEI-WBVHZDCISA-N	1	0	370.457	1.840	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2nc(C3CC3)oc2C)C[C@@H]1n1ccnn1	ZINC001130062802	938651355	/nfs/dbraw/zinc/65/13/55/938651355.db2.gz	XZDPSNXEZIQOKA-CABCVRRESA-N	1	0	354.414	1.131	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2noc3c2C[C@@H](C)CC3)C[C@@H]1n1ccnn1	ZINC001130065815	938653705	/nfs/dbraw/zinc/65/37/05/938653705.db2.gz	UFEGMUQPJFSVCR-IMJJTQAJSA-N	1	0	368.441	1.070	20	30		FDEDRO
C#CCCCS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000805053471	938654082	/nfs/dbraw/zinc/65/40/82/938654082.db2.gz	RFZZPGIMMYKGIP-MSOLQXFVSA-N	1	0	350.484	1.202	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnn(CC(C)C)c2)C[C@@H]1n1ccnn1	ZINC001130057360	938659611	/nfs/dbraw/zinc/65/96/11/938659611.db2.gz	XIYZQFGVOQNGIN-MSOLQXFVSA-N	1	0	371.489	1.752	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2Cl)C[C@@H]1n1ccnn1	ZINC001130081205	938662295	/nfs/dbraw/zinc/66/22/95/938662295.db2.gz	CYGAXHDZZNGGCR-KGLIPLIRSA-N	1	0	363.853	1.287	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@@H]1n1ccnn1	ZINC001130081577	938662915	/nfs/dbraw/zinc/66/29/15/938662915.db2.gz	WLVGBQBEBPKDTN-KGLIPLIRSA-N	1	0	369.416	1.258	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2C(F)F)C[C@@H]1n1ccnn1	ZINC001130083589	938664966	/nfs/dbraw/zinc/66/49/66/938664966.db2.gz	CEYFRHWTHKWCNM-OLZOCXBDSA-N	1	0	365.388	1.181	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](F)CC2CCCCC2)C[C@@H]1n1ccnn1	ZINC001130086256	938667672	/nfs/dbraw/zinc/66/76/72/938667672.db2.gz	SOHWPMQEVYRCKQ-KURKYZTESA-N	1	0	361.465	1.951	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(OC)cc2)C[C@@H]1n1ccnn1	ZINC001130099521	938682140	/nfs/dbraw/zinc/68/21/40/938682140.db2.gz	GTFZFBKUGAHDGE-MSOLQXFVSA-N	1	0	355.442	1.447	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccccc2OC(C)C)C[C@@H]1n1ccnn1	ZINC001130099726	938682508	/nfs/dbraw/zinc/68/25/08/938682508.db2.gz	LRNZHHYDALQKDD-MSOLQXFVSA-N	1	0	367.453	1.744	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CC(C)(C)CO2)C[C@@H]1n1ccnn1	ZINC001130102063	938682830	/nfs/dbraw/zinc/68/28/30/938682830.db2.gz	FJWZLFANRSTCJL-BBWFWOEESA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ncccc2OC)C[C@@H]1n1ccnn1	ZINC001130105123	938685975	/nfs/dbraw/zinc/68/59/75/938685975.db2.gz	LWUAZDTUGCLWKP-CABCVRRESA-N	1	0	356.430	1.303	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccccc2OCC)C[C@@H]1n1ccnn1	ZINC001130109603	938688477	/nfs/dbraw/zinc/68/84/77/938688477.db2.gz	CNTBEMDEQGLOLO-SJORKVTESA-N	1	0	353.426	1.355	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130112285	938691001	/nfs/dbraw/zinc/69/10/01/938691001.db2.gz	UNFVSZWQAFXEAW-NXHRZFHOSA-N	1	0	353.426	1.110	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)c(C)c2)C[C@@H]1n1ccnn1	ZINC001130112379	938691056	/nfs/dbraw/zinc/69/10/56/938691056.db2.gz	VXVISMJQJDEUSU-MOPGFXCFSA-N	1	0	369.469	1.753	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COc2c(C)cccc2C)C[C@@H]1n1ccnn1	ZINC001130115125	938694679	/nfs/dbraw/zinc/69/46/79/938694679.db2.gz	VIYQUAASJKLDRQ-MSOLQXFVSA-N	1	0	367.453	1.339	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCOc2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001130119214	938702228	/nfs/dbraw/zinc/70/22/28/938702228.db2.gz	YNHIQHTYQKKTKC-MOPGFXCFSA-N	1	0	369.469	1.973	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC(C)C)cc2)C[C@@H]1n1ccnn1	ZINC001130119229	938702355	/nfs/dbraw/zinc/70/23/55/938702355.db2.gz	YUJYHKXMINJWMB-MOPGFXCFSA-N	1	0	367.453	1.744	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2cc(C)sc2C)C[C@@H]1n1ccnn1	ZINC001130145833	938706089	/nfs/dbraw/zinc/70/60/89/938706089.db2.gz	DQRSFTWTWPXUNB-MSOLQXFVSA-N	1	0	371.510	1.954	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(CF)cc2)C[C@@H]1n1ccnn1	ZINC001130146009	938706154	/nfs/dbraw/zinc/70/61/54/938706154.db2.gz	HMXFNTXBMXCMFZ-MSOLQXFVSA-N	1	0	371.416	1.053	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2csc(CC)n2)C[C@@H]1n1ccnn1	ZINC001130145804	938706265	/nfs/dbraw/zinc/70/62/65/938706265.db2.gz	CBMXVESMHKQAHL-CABCVRRESA-N	1	0	360.487	1.457	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC=C)Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130132637	938707443	/nfs/dbraw/zinc/70/74/43/938707443.db2.gz	JHWXBMCONPSFEI-AQNXPRMDSA-N	1	0	363.465	1.688	20	30		FDEDRO
COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130134071	938708799	/nfs/dbraw/zinc/70/87/99/938708799.db2.gz	QZWGYNCSVNPHFJ-QRQLOZEOSA-N	1	0	367.453	1.096	20	30		FDEDRO
CCCCCCCC[C@H](C)C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1	ZINC001130134178	938708859	/nfs/dbraw/zinc/70/88/59/938708859.db2.gz	WHAUJPQTZQAPNP-KSZLIROESA-N	1	0	365.522	1.999	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](OCC)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130148097	938712987	/nfs/dbraw/zinc/71/29/87/938712987.db2.gz	FSJGKMZZOYLZLZ-QYZOEREBSA-N	1	0	369.469	1.974	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCCn2cccc2)C[C@@H]1n1ccnn1	ZINC001130143464	938714390	/nfs/dbraw/zinc/71/43/90/938714390.db2.gz	VDPMHVKOCFXVNO-MSOLQXFVSA-N	1	0	356.474	1.868	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CCc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001130151497	938716029	/nfs/dbraw/zinc/71/60/29/938716029.db2.gz	UAWVHUKPFSOFCU-UHOSZYNNSA-N	1	0	369.469	1.453	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(N(C)C)ccn2)C[C@@H]1n1ccnn1	ZINC001130153545	938717570	/nfs/dbraw/zinc/71/75/70/938717570.db2.gz	YCTXDYXTUFSQTC-MSOLQXFVSA-N	1	0	369.473	1.361	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C)C2CCOCC2)C[C@@H]1n1ccnn1	ZINC001130158349	938719691	/nfs/dbraw/zinc/71/96/91/938719691.db2.gz	DXPQCRYTHRCLBO-NXHRZFHOSA-N	1	0	361.490	1.649	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3cccc(C)c3O2)C[C@@H]1n1ccnn1	ZINC001130160927	938721323	/nfs/dbraw/zinc/72/13/23/938721323.db2.gz	IQBGQNCOCUVBEL-FGTMMUONSA-N	1	0	367.453	1.508	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(F)F)[nH]1	ZINC001130175499	938724167	/nfs/dbraw/zinc/72/41/67/938724167.db2.gz	MNPJADWPKUOWKS-WOPDTQHZSA-N	1	0	357.405	1.503	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C)o2)[nH]1	ZINC001130181674	938728751	/nfs/dbraw/zinc/72/87/51/938728751.db2.gz	PEZISODCVIBMCC-ZFWWWQNUSA-N	1	0	357.414	1.122	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cnc(C)s2)[nH]1	ZINC001130190490	938735296	/nfs/dbraw/zinc/73/52/96/938735296.db2.gz	AZGBXYYLBVMCJC-RYUDHWBXSA-N	1	0	362.459	1.148	20	30		FDEDRO
C=CCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC[C@@H](C)F)[nH]1	ZINC001130193287	938738088	/nfs/dbraw/zinc/73/80/88/938738088.db2.gz	QHOISWYUAOPQCZ-RDBSUJKOSA-N	1	0	353.442	1.597	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2ccoc2)[nH]1	ZINC001130204839	938745676	/nfs/dbraw/zinc/74/56/76/938745676.db2.gz	MFPIKJNPDCABPG-GJZGRUSLSA-N	1	0	359.430	1.295	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)/C(C)=C\CC)n1	ZINC001130200226	938753757	/nfs/dbraw/zinc/75/37/57/938753757.db2.gz	DOWDUTVEYYDDIM-LSWFWALPSA-N	1	0	367.881	1.992	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CO[C@H](C)CC)[nH]1	ZINC001130200580	938754509	/nfs/dbraw/zinc/75/45/09/938754509.db2.gz	RPRFQCRVAGATMA-ILXRZTDVSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](CC)SC)[nH]1	ZINC001130200741	938754532	/nfs/dbraw/zinc/75/45/32/938754532.db2.gz	VMKOJLNPRCBHHC-AVGNSLFASA-N	1	0	353.492	1.211	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC=CCCC2)n1	ZINC001130220728	938756195	/nfs/dbraw/zinc/75/61/95/938756195.db2.gz	KBVWIYJHYQIJLK-IKGGRYGDSA-N	1	0	371.485	1.653	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c(C)cccc2C)[nH]1	ZINC001130240087	938760420	/nfs/dbraw/zinc/76/04/20/938760420.db2.gz	IDODYWVYHHVTAP-HOTGVXAUSA-N	1	0	369.469	2.000	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](F)C(C)C)[nH]1	ZINC001130227550	938761202	/nfs/dbraw/zinc/76/12/02/938761202.db2.gz	DDTBNIMZTNWXMI-YDHLFZDLSA-N	1	0	353.442	1.453	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@]2(C)C=CCC2)[nH]1	ZINC001130227876	938762217	/nfs/dbraw/zinc/76/22/17/938762217.db2.gz	SVUQEEJZLUVRHH-YZVOILCLSA-N	1	0	359.474	1.815	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CC3(CC3)C2)[nH]1	ZINC001130234688	938765884	/nfs/dbraw/zinc/76/58/84/938765884.db2.gz	HYVNUSCBSHUZBO-GJZGRUSLSA-N	1	0	359.474	1.649	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CC3(CC3)C2)[nH]1	ZINC001130234943	938766235	/nfs/dbraw/zinc/76/62/35/938766235.db2.gz	QFSPBGIPNMLAHN-GJZGRUSLSA-N	1	0	359.474	1.649	20	30		FDEDRO
C=CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC[C@H](C)F)[nH]1	ZINC001130238093	938767617	/nfs/dbraw/zinc/76/76/17/938767617.db2.gz	SWUBNRQRSCKKKZ-KKUMJFAQSA-N	1	0	367.469	1.987	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](CCC)C(C)C)n1	ZINC001130242288	938769536	/nfs/dbraw/zinc/76/95/36/938769536.db2.gz	PNSOHRWSNLCFNX-PMPSAXMXSA-N	1	0	361.490	1.589	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[C@H](C)CC)n1	ZINC001130242350	938769572	/nfs/dbraw/zinc/76/95/72/938769572.db2.gz	STNMQHRBTSGEKN-PMPSAXMXSA-N	1	0	361.490	1.733	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)CC(C)C)n1	ZINC001130244874	938770710	/nfs/dbraw/zinc/77/07/10/938770710.db2.gz	OSUOXESGWDVZAM-JYJNAYRXSA-N	1	0	361.490	1.589	20	30		FDEDRO
C=C[C@H](C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC)[nH]1)c1ccccc1	ZINC001130251324	938774427	/nfs/dbraw/zinc/77/44/27/938774427.db2.gz	NJTIAPAKDOGNMK-ULQDDVLXSA-N	1	0	369.469	1.873	20	30		FDEDRO
C=CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COC(C)C)CC1	ZINC001130276481	938787345	/nfs/dbraw/zinc/78/73/45/938787345.db2.gz	BPDUACCTGCCWQY-XLIONFOSSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COCC=C)CC1	ZINC001130278799	938788806	/nfs/dbraw/zinc/78/88/06/938788806.db2.gz	CSUJNDPOGCUIFY-XLIONFOSSA-N	1	0	363.502	1.631	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@@H](C)CC)CC1	ZINC001130278893	938789054	/nfs/dbraw/zinc/78/90/54/938789054.db2.gz	JDVKTHVRABIRQF-VPWXQRGCSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCC2CC2)CC1	ZINC001130279108	938789389	/nfs/dbraw/zinc/78/93/89/938789389.db2.gz	RPPXXKMPJQNRTC-XLIONFOSSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2c[nH]cn2)CC1	ZINC001130290620	938795037	/nfs/dbraw/zinc/79/50/37/938795037.db2.gz	HLPBPEIAHGBADI-APWZRJJASA-N	1	0	359.474	1.004	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCC)CC1	ZINC001130290863	938795377	/nfs/dbraw/zinc/79/53/77/938795377.db2.gz	OZDCKEAIHAPSKE-SUMDDJOVSA-N	1	0	363.502	1.300	20	30		FDEDRO
CC(C)(C)C#CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1	ZINC001130290653	938795379	/nfs/dbraw/zinc/79/53/79/938795379.db2.gz	JKCIKBWGQLWOQY-QAPCUYQASA-N	1	0	351.466	1.481	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](CC)CC(F)F)CC1	ZINC001130290667	938795415	/nfs/dbraw/zinc/79/54/15/938795415.db2.gz	JZMRXHDRYTZLQQ-SIIHOXLZSA-N	1	0	369.456	1.776	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](CCC)OC)CC1	ZINC001130293145	938796619	/nfs/dbraw/zinc/79/66/19/938796619.db2.gz	MYTKIFBPKOKNIB-LMMKCTJWSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@@H](C)O)CC1	ZINC001130295962	938798435	/nfs/dbraw/zinc/79/84/35/938798435.db2.gz	ZXAFVTXNSBHSDP-UNEWFSDZSA-N	1	0	351.491	1.055	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@@H](C)OC)CC1	ZINC001130299077	938799278	/nfs/dbraw/zinc/79/92/78/938799278.db2.gz	WLEFVNPIDKXOCA-MDYRTPRTSA-N	1	0	365.518	1.853	20	30		FDEDRO
C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1nc2ccccc2c(=O)n1CC#N	ZINC000805769070	938827755	/nfs/dbraw/zinc/82/77/55/938827755.db2.gz	RRISEUGKZKNKHA-CRAIPNDOSA-N	1	0	351.454	1.979	20	30		FDEDRO
C=CCCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2OCCO[C@H]2C)C1	ZINC001130395310	938828880	/nfs/dbraw/zinc/82/88/80/938828880.db2.gz	HJWPRBBSAOEAEQ-MPGHIAIKSA-N	1	0	362.474	1.585	20	30		FDEDRO
CCC(CC)C[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@H]1c1cn(C)cn1	ZINC001130502546	938885407	/nfs/dbraw/zinc/88/54/07/938885407.db2.gz	RRBHUHHTACPFRP-DOTOQJQBSA-N	1	0	363.531	1.997	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(OCC#N)cc1	ZINC000806169529	938898500	/nfs/dbraw/zinc/89/85/00/938898500.db2.gz	GXWQCUUWTKNZLA-GOEBONIOSA-N	1	0	366.487	1.510	20	30		FDEDRO
C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cccc(-n2ccnn2)c1	ZINC000806145603	938900149	/nfs/dbraw/zinc/90/01/49/938900149.db2.gz	DPZLVNZNNWQDOO-FKEVTRRJSA-N	1	0	352.398	1.444	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCC([C@H](O)C[NH+]2CCN(CCC#N)CC2)CC1	ZINC000822784671	945220755	/nfs/dbraw/zinc/22/07/55/945220755.db2.gz	FIUGNPCOPJEJCW-QGZVFWFLSA-N	1	0	366.506	1.526	20	30		FDEDRO
C#CCCN1CC[NH+](C[C@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000822784955	945224055	/nfs/dbraw/zinc/22/40/55/945224055.db2.gz	IYZAJDFEWNODQA-SFHVURJKSA-N	1	0	365.518	1.635	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC1	ZINC000822796621	945232985	/nfs/dbraw/zinc/23/29/85/945232985.db2.gz	ZMPJNQKBMOIZQU-QGZVFWFLSA-N	1	0	365.518	1.498	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cn2cccc(C)c2=O)C[C@H]1c1cn(C)cn1	ZINC001130587642	939888587	/nfs/dbraw/zinc/88/85/87/939888587.db2.gz	VTCNIYJBOMDDCO-FUHWJXTLSA-N	1	0	369.469	1.051	20	30		FDEDRO
CCCCOCC[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1cn(C)cn1	ZINC001130592816	939899528	/nfs/dbraw/zinc/89/95/28/939899528.db2.gz	FXUCHVIGUXFRBM-PKOBYXMFSA-N	1	0	358.486	1.534	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1c1cn(C)cn1	ZINC001130594800	939902255	/nfs/dbraw/zinc/90/22/55/939902255.db2.gz	ZMXUABGWYHGZJD-FUHWJXTLSA-N	1	0	358.486	1.556	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCF)C1	ZINC001130596702	939903623	/nfs/dbraw/zinc/90/36/23/939903623.db2.gz	QSOMTMIYKVHELG-ATLSCFEFSA-N	1	0	364.465	1.645	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2nn(C)cc2Cl)C[C@H]1c1cn(C)cn1	ZINC001130599611	939905360	/nfs/dbraw/zinc/90/53/60/939905360.db2.gz	WSQDSNXTZINASB-SWLSCSKDSA-N	1	0	362.865	1.581	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COc2cc(C)on2)C[C@H]1c1cn(C)cn1	ZINC001130614847	939911999	/nfs/dbraw/zinc/91/19/99/939911999.db2.gz	DKRJLYONUAQEJV-GOEBONIOSA-N	1	0	359.430	1.256	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@@H]2CCOC2)C1	ZINC001130604491	939915729	/nfs/dbraw/zinc/91/57/29/939915729.db2.gz	CNYTYTKPXCHJDX-XYJFISCASA-N	1	0	360.502	1.943	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2scnc2CC)C[C@H]1c1cn(C)cn1	ZINC001130604770	939916191	/nfs/dbraw/zinc/91/61/91/939916191.db2.gz	MSYYSCNXGZMVSW-XJKSGUPXSA-N	1	0	357.483	1.660	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(C)[nH]nc2Cl)C[C@H]1c1cn(C)cn1	ZINC001130607658	939919417	/nfs/dbraw/zinc/91/94/17/939919417.db2.gz	HMIZTYUZLOMFFR-GXTWGEPZSA-N	1	0	362.865	1.879	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2nc(C)c(C)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130624365	939922148	/nfs/dbraw/zinc/92/21/48/939922148.db2.gz	SCXISANIYLOJHH-FUHWJXTLSA-N	1	0	368.485	1.909	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(COC)o2)C[C@H]1c1cn(C)cn1	ZINC001130624361	939922218	/nfs/dbraw/zinc/92/22/18/939922218.db2.gz	RVABWJVSEQSRSC-DOTOQJQBSA-N	1	0	356.426	1.381	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2nc(C)c(C)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130624493	939922590	/nfs/dbraw/zinc/92/25/90/939922590.db2.gz	XAMJDFBJDVODQK-FUHWJXTLSA-N	1	0	366.469	1.356	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3ccnc3C2)C[C@H]1c1cn(C)cn1	ZINC001130617250	939928839	/nfs/dbraw/zinc/92/88/39/939928839.db2.gz	WPYPHMGFERYURQ-XYJFISCASA-N	1	0	368.485	1.339	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)on2)C[C@H]1c1cn(C)cn1	ZINC001130635397	939938073	/nfs/dbraw/zinc/93/80/73/939938073.db2.gz	YMAXEGAIWVIGLY-WMLDXEAASA-N	1	0	355.442	1.753	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCF)C1	ZINC001130638053	939940640	/nfs/dbraw/zinc/94/06/40/939940640.db2.gz	ZMIYWLDHQQOIGZ-YXJHDRRASA-N	1	0	352.454	1.502	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@H](C)OC)C1	ZINC001130639443	939941615	/nfs/dbraw/zinc/94/16/15/939941615.db2.gz	COILTYGWGNTJRQ-JENIJYKNSA-N	1	0	360.502	1.923	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2ncccc2F)C[C@H]1c1cn(C)cn1	ZINC001130652488	939946775	/nfs/dbraw/zinc/94/67/75/939946775.db2.gz	XHDRQQWCZPOUAO-KBXCAEBGSA-N	1	0	357.433	1.657	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@H](C)C(=O)NC)C1	ZINC001130642527	939950151	/nfs/dbraw/zinc/95/01/51/939950151.db2.gz	RDDRFTFTCSMFMD-IJEWVQPXSA-N	1	0	361.490	1.041	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130680391	939968673	/nfs/dbraw/zinc/96/86/73/939968673.db2.gz	OJCYNTBTFMRYNS-MJQMVNBJSA-N	1	0	368.485	1.417	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCCOC)C[C@H]1c1cn(C)cn1	ZINC001130685127	939974595	/nfs/dbraw/zinc/97/45/95/939974595.db2.gz	FMIVIEBVWWYREC-XYJFISCASA-N	1	0	364.490	1.322	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCO[C@H]2C(=C)C)C[C@H]1c1cn(C)cn1	ZINC001130689474	939979463	/nfs/dbraw/zinc/97/94/63/939979463.db2.gz	AEUURXBILQRMGT-DKKFBQAASA-N	1	0	356.470	1.309	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2ncccn2)C[C@H]1c1cn(C)cn1	ZINC001130692426	939980995	/nfs/dbraw/zinc/98/09/95/939980995.db2.gz	JGRUGMSTPFGAPS-DOTOQJQBSA-N	1	0	354.458	1.303	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC23CCC3)C[C@H]1c1cn(C)cn1	ZINC001130682495	939982307	/nfs/dbraw/zinc/98/23/07/939982307.db2.gz	BKRRUFGKRWWKCB-XYJFISCASA-N	1	0	356.470	1.144	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130683098	939983094	/nfs/dbraw/zinc/98/30/94/939983094.db2.gz	XKQBKNBAZPEUPY-KBXCAEBGSA-N	1	0	354.458	1.795	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCCn2cncn2)C[C@H]1c1cn(C)cn1	ZINC001130706649	939988732	/nfs/dbraw/zinc/98/87/32/939988732.db2.gz	QKUGLLVUCINKIX-FUHWJXTLSA-N	1	0	371.489	1.342	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1c1cn(C)cn1	ZINC001130695345	939990043	/nfs/dbraw/zinc/99/00/43/939990043.db2.gz	NVKCHMDOSOSXMW-GOEBONIOSA-N	1	0	359.478	1.706	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C)n3C)C2)C1=O	ZINC001086644098	939994461	/nfs/dbraw/zinc/99/44/61/939994461.db2.gz	DYGHKGPMABQNEX-GVDBMIGSSA-N	1	0	358.486	1.609	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn(C(C)C)c2)C[C@H]1c1cn(C)cn1	ZINC001130710431	939998367	/nfs/dbraw/zinc/99/83/67/939998367.db2.gz	WFJGSBNWKXVLND-FUHWJXTLSA-N	1	0	356.474	1.971	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2ccccn2)C[C@H]1c1cn(C)cn1	ZINC001130715037	940007239	/nfs/dbraw/zinc/00/72/39/940007239.db2.gz	QJRQECRAUWOZLD-SOLBZPMBSA-N	1	0	367.453	1.190	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ncc3n2CCCC3)C[C@H]1c1cn(C)cn1	ZINC001130729130	940017869	/nfs/dbraw/zinc/01/78/69/940017869.db2.gz	WKJOUKHTDBGMQF-FUHWJXTLSA-N	1	0	366.469	1.174	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130717867	940018866	/nfs/dbraw/zinc/01/88/66/940018866.db2.gz	WVTMFQXFBQGWDW-AZUAARDMSA-N	1	0	350.466	1.960	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COCCCCCC)C[C@H]1c1cn(C)cn1	ZINC001130719555	940023545	/nfs/dbraw/zinc/02/35/45/940023545.db2.gz	XXHAYPUXKMEVGT-PKOBYXMFSA-N	1	0	360.502	1.924	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](OC)C2CCCC2)C[C@H]1c1cn(C)cn1	ZINC001130723731	940028605	/nfs/dbraw/zinc/02/86/05/940028605.db2.gz	VQLSSYHKNCGVAR-UHOSZYNNSA-N	1	0	358.486	1.533	20	30		FDEDRO
C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000806737209	940031679	/nfs/dbraw/zinc/03/16/79/940031679.db2.gz	QLWVJKSMNRDFOJ-CRAIPNDOSA-N	1	0	363.458	1.723	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)n2nc(C)cc2C)C[C@H]1c1cn(C)cn1	ZINC001130737226	940038669	/nfs/dbraw/zinc/03/86/69/940038669.db2.gz	YKARMYCCYUFGIM-ZIFCJYIRSA-N	1	0	368.485	1.402	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130732045	940045634	/nfs/dbraw/zinc/04/56/34/940045634.db2.gz	WWLDLRJFGVGNQE-FUHWJXTLSA-N	1	0	356.474	1.247	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C)oc3C)n2)O1	ZINC001130756467	940078403	/nfs/dbraw/zinc/07/84/03/940078403.db2.gz	IRMANQVHKLTGOU-GOEBONIOSA-N	1	0	371.441	1.778	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(Cl)o3)n2)O1	ZINC001130759820	940087421	/nfs/dbraw/zinc/08/74/21/940087421.db2.gz	OKNLSPNIYFXTJS-WDEREUQCSA-N	1	0	365.821	1.977	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cn[nH]c3)n2)O1	ZINC001130765266	940094671	/nfs/dbraw/zinc/09/46/71/940094671.db2.gz	JYTFTWDXEJNDCY-NWDGAFQWSA-N	1	0	365.825	1.020	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H]3CCCO3)n2)O1	ZINC001130765443	940096280	/nfs/dbraw/zinc/09/62/80/940096280.db2.gz	SWFJPUCYMVGFIK-SOUVJXGZSA-N	1	0	363.462	1.376	20	30		FDEDRO
C=CCOCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC=C(C)C)O2)n[nH]1	ZINC001130767952	940102807	/nfs/dbraw/zinc/10/28/07/940102807.db2.gz	VWPUYRBHSFZBCX-LSDHHAIUSA-N	1	0	363.462	1.399	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H](C)OC)n2)O1	ZINC001130769441	940106486	/nfs/dbraw/zinc/10/64/86/940106486.db2.gz	JOGSIWVVGCPDFO-MELADBBJSA-N	1	0	351.451	1.232	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)COC)n2)O1	ZINC001130769434	940106516	/nfs/dbraw/zinc/10/65/16/940106516.db2.gz	JJYKQLINIFFNRW-SOUVJXGZSA-N	1	0	365.478	1.479	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(C)=C3CCC3)n2)O1	ZINC001130785495	940120153	/nfs/dbraw/zinc/12/01/53/940120153.db2.gz	QPAJKJQITWEQRA-JKSUJKDBSA-N	1	0	357.458	1.754	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)n3cccc3)n2)O1	ZINC001130776393	940124972	/nfs/dbraw/zinc/12/49/72/940124972.db2.gz	CMAJVHZNMYIPTK-HRCADAONSA-N	1	0	370.457	1.317	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3C[C@@H]3C(F)F)n2)O1	ZINC001130781070	940136511	/nfs/dbraw/zinc/13/65/11/940136511.db2.gz	NHQZBTUUWYSSDY-ZDEQEGDKSA-N	1	0	367.400	1.155	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C#CC(C)C)n2)O1	ZINC001130783254	940142896	/nfs/dbraw/zinc/14/28/96/940142896.db2.gz	SQBASOIKNAKOQO-JKSUJKDBSA-N	1	0	359.474	1.856	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccsc3C)n2)O1	ZINC001130783286	940142955	/nfs/dbraw/zinc/14/29/55/940142955.db2.gz	VMJANMCEQZANKG-GXTWGEPZSA-N	1	0	359.455	1.548	20	30		FDEDRO
C=CC(C)(C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C[C@@H](C)OC)O2)n[nH]1	ZINC001130795848	940148848	/nfs/dbraw/zinc/14/88/48/940148848.db2.gz	AOHMGUSZFCFWFO-HZSPNIEDSA-N	1	0	365.478	1.478	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](F)C(C)C)n2)O1	ZINC001130796223	940149789	/nfs/dbraw/zinc/14/97/89/940149789.db2.gz	MKOBOVLCELKPGN-GZBFAFLISA-N	1	0	351.426	1.248	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCC(C)(F)F)n2)O1	ZINC001130790041	940161798	/nfs/dbraw/zinc/16/17/98/940161798.db2.gz	FGFZXCZQKXYTJA-QWHCGFSZSA-N	1	0	369.416	1.689	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(COC)CC3)n2)O1	ZINC001130792443	940170031	/nfs/dbraw/zinc/17/00/31/940170031.db2.gz	DVNKQBQUJRNIQR-UONOGXRCSA-N	1	0	363.462	1.233	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(C)(C)COC)n2)O1	ZINC001130792694	940171723	/nfs/dbraw/zinc/17/17/23/940171723.db2.gz	SBZWLTCUWMOORC-QWHCGFSZSA-N	1	0	351.451	1.089	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3[nH]c(C)nc3C)n2)O1	ZINC001130809183	940186496	/nfs/dbraw/zinc/18/64/96/940186496.db2.gz	LFGBNBYNAYWXCD-QWHCGFSZSA-N	1	0	359.434	1.070	20	30		FDEDRO
C=C1CC(C)(C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCCF)O3)n[nH]2)C1	ZINC001130809320	940187885	/nfs/dbraw/zinc/18/78/85/940187885.db2.gz	RDTCDLUQUVCUFN-UONOGXRCSA-N	1	0	365.453	1.947	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3conc3C)n2)O1	ZINC001130802238	940197210	/nfs/dbraw/zinc/19/72/10/940197210.db2.gz	JJLJUMFNXNPCSV-GXTWGEPZSA-N	1	0	360.418	1.417	20	30		FDEDRO
C=CCO[C@H](C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C(C)C)O2)n[nH]1	ZINC001130822840	940203396	/nfs/dbraw/zinc/20/33/96/940203396.db2.gz	NDRZHMHGGKXVKE-HZSPNIEDSA-N	1	0	351.451	1.230	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3nccs3)n2)O1	ZINC001130811885	940205709	/nfs/dbraw/zinc/20/57/09/940205709.db2.gz	QJJGINWSEYFJFR-NWDGAFQWSA-N	1	0	362.459	1.577	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H](C)COC)n2)O1	ZINC001130813128	940211577	/nfs/dbraw/zinc/21/15/77/940211577.db2.gz	JARFXRDUIMLFPH-SOUVJXGZSA-N	1	0	365.478	1.479	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H](C)COC)n2)O1	ZINC001130813126	940212004	/nfs/dbraw/zinc/21/20/04/940212004.db2.gz	JARFXRDUIMLFPH-QLFBSQMISA-N	1	0	365.478	1.479	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3c[nH]cc3C3CC3)n2)O1	ZINC001130816460	940219163	/nfs/dbraw/zinc/21/91/63/940219163.db2.gz	XTDYZYBUQSYNHY-XJKSGUPXSA-N	1	0	368.441	1.383	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)o2)C[C@H]1c1cncn1C	ZINC001130898150	940301926	/nfs/dbraw/zinc/30/19/26/940301926.db2.gz	YDGCBLISYYWSFQ-HZPDHXFCSA-N	1	0	356.426	1.169	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2snnc2C)C[C@H]1c1cncn1C	ZINC001130908271	940314904	/nfs/dbraw/zinc/31/49/04/940314904.db2.gz	DRMNFMHGWQGUBM-ZIAGYGMSSA-N	1	0	360.487	1.744	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc(C)cn2)C[C@H]1c1cncn1C	ZINC001130922853	940320451	/nfs/dbraw/zinc/32/04/51/940320451.db2.gz	XTZITLSZFVDILE-RCCFBDPRSA-N	1	0	370.501	1.864	20	30		FDEDRO
C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1	ZINC000807335115	940324133	/nfs/dbraw/zinc/32/41/33/940324133.db2.gz	CJEFOWKDKGAESI-KRWDZBQOSA-N	1	0	367.453	1.134	20	30		FDEDRO
C[C@@H](F)CC[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@H]1c1cncn1C	ZINC001130920868	940330856	/nfs/dbraw/zinc/33/08/56/940330856.db2.gz	KTGIZQULRVXPIZ-MGPQQGTHSA-N	1	0	353.467	1.309	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C=C2CCCCC2)C[C@H]1c1cncn1C	ZINC001130927140	940335282	/nfs/dbraw/zinc/33/52/82/940335282.db2.gz	AEBBKMGDYAZDND-RTBURBONSA-N	1	0	370.497	1.844	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C[C@H]1c1cncn1C	ZINC001130956698	940361859	/nfs/dbraw/zinc/36/18/59/940361859.db2.gz	FKKORTSJSYYSGY-MUDKKEKZSA-N	1	0	358.486	1.553	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOCC2CC2)C1	ZINC001130971289	940379534	/nfs/dbraw/zinc/37/95/34/940379534.db2.gz	IAOJRLHSKJLKLT-QZTJIDSGSA-N	1	0	358.486	1.534	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cncn2C)C1	ZINC001130977822	940408889	/nfs/dbraw/zinc/40/88/89/940408889.db2.gz	BDEAARCKOAYEIF-IAGOWNOFSA-N	1	0	354.458	1.041	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC2CC(C)C2)C1	ZINC001130988557	940410470	/nfs/dbraw/zinc/41/04/70/940410470.db2.gz	HYRPOEPUNWINFP-OPQOLIRYSA-N	1	0	358.486	1.390	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCC(C)C)C1	ZINC001130989260	940411640	/nfs/dbraw/zinc/41/16/40/940411640.db2.gz	ZJRYXTRDBBLTEQ-QZTJIDSGSA-N	1	0	360.502	1.780	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cn(C)nc2C)C1	ZINC001131001827	940428612	/nfs/dbraw/zinc/42/86/12/940428612.db2.gz	QKYYDEBLKYLGCI-QZTJIDSGSA-N	1	0	370.501	1.903	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOCC(F)F)C1	ZINC001131002040	940428626	/nfs/dbraw/zinc/42/86/26/940428626.db2.gz	YMLSSAJCJQUDHJ-HUUCEWRRSA-N	1	0	370.444	1.942	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccn(C(F)F)n2)C[C@H]1c1cncn1C	ZINC001131003816	940429872	/nfs/dbraw/zinc/42/98/72/940429872.db2.gz	RBDNGEBIMWMKJR-TZMCWYRMSA-N	1	0	362.384	1.233	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2ccnn2C)C[C@H]1c1cncn1C	ZINC001131006050	940432264	/nfs/dbraw/zinc/43/22/64/940432264.db2.gz	JJHMFABGASKSRZ-QZTJIDSGSA-N	1	0	370.501	1.637	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(F)ccc2F)C[C@H]1c1cncn1C	ZINC001131008172	940434643	/nfs/dbraw/zinc/43/46/43/940434643.db2.gz	VLLIBWFSVHLMKR-NVXWUHKLSA-N	1	0	358.392	1.919	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(CC)ccn2)C[C@H]1c1cncn1C	ZINC001130999423	940436137	/nfs/dbraw/zinc/43/61/37/940436137.db2.gz	PTRUGYSWNRZMMW-SJLPKXTDSA-N	1	0	351.454	1.599	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)nc(C)c2)C[C@H]1c1cncn1C	ZINC001130999692	940436317	/nfs/dbraw/zinc/43/63/17/940436317.db2.gz	ZKTHMJPAROGZJK-QZTJIDSGSA-N	1	0	351.454	1.653	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3nccn3C2)C[C@H]1c1cncn1C	ZINC001131017538	940438289	/nfs/dbraw/zinc/43/82/89/940438289.db2.gz	AEVDWWVDXDQOKU-GVDBMIGSSA-N	1	0	368.485	1.339	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1	ZINC000807668854	940439770	/nfs/dbraw/zinc/43/97/70/940439770.db2.gz	KEFLQMHOKHRTMZ-UHFFFAOYSA-N	1	0	372.307	1.925	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(C3CC3)cnn2C)C[C@H]1c1cncn1C	ZINC001131010615	940441583	/nfs/dbraw/zinc/44/15/83/940441583.db2.gz	VGUMZTYHYJOERH-IAGOWNOFSA-N	1	0	368.485	1.805	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnc3[nH]ccc3c2)C[C@H]1c1cncn1C	ZINC001131014566	940447803	/nfs/dbraw/zinc/44/78/03/940447803.db2.gz	AHRKFQUMFAQPTC-IAGOWNOFSA-N	1	0	362.437	1.469	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2CCC)C[C@H]1c1cncn1C	ZINC001131022998	940456488	/nfs/dbraw/zinc/45/64/88/940456488.db2.gz	NCFMFZLFFRTBOE-IAGOWNOFSA-N	1	0	368.485	1.327	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)cc2F)C[C@H]1c1cncn1C	ZINC001131025825	940458994	/nfs/dbraw/zinc/45/89/94/940458994.db2.gz	FASSYYCKLMUTER-SJLPKXTDSA-N	1	0	370.428	1.789	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cn2nc(C)cc2C)C[C@H]1c1cncn1C	ZINC001131026018	940459416	/nfs/dbraw/zinc/45/94/16/940459416.db2.gz	PTIGDMCQLHONAC-QZTJIDSGSA-N	1	0	370.501	1.784	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc1C#N	ZINC000807699636	940461727	/nfs/dbraw/zinc/46/17/27/940461727.db2.gz	AJYWHMZJBJSJCB-OAHLLOKOSA-N	1	0	372.469	1.564	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOC)C1	ZINC001131040512	940468607	/nfs/dbraw/zinc/46/86/07/940468607.db2.gz	XNFUHUUSEAXOPN-MDZRGWNJSA-N	1	0	364.490	1.179	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2ccccn2)C[C@H]1c1cncn1C	ZINC001131040427	940468614	/nfs/dbraw/zinc/46/86/14/940468614.db2.gz	VPJFSBSRAOXOOL-QZTJIDSGSA-N	1	0	351.454	1.355	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC2(C)C)C[C@H]1c1cncn1C	ZINC001131049307	940470616	/nfs/dbraw/zinc/47/06/16/940470616.db2.gz	SMDWUSDRIDYNSO-IXDOHACOSA-N	1	0	358.486	1.390	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnc(C)n2C)C[C@H]1c1cncn1C	ZINC001131051826	940480334	/nfs/dbraw/zinc/48/03/34/940480334.db2.gz	VTXSCRVUFHPRGL-HZPDHXFCSA-N	1	0	356.474	1.626	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)nc(OC)c2)C[C@H]1c1cncn1C	ZINC001131053833	940480680	/nfs/dbraw/zinc/48/06/80/940480680.db2.gz	CWFVMLHVWXCHCL-IAGOWNOFSA-N	1	0	367.453	1.353	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnc3n2CCCC3)C[C@H]1c1cncn1C	ZINC001131054155	940480972	/nfs/dbraw/zinc/48/09/72/940480972.db2.gz	VUIIHHOAZKJLSO-HZPDHXFCSA-N	1	0	366.469	1.174	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2CCC(OC)CC2)C[C@H]1c1cncn1C	ZINC001131055585	940481490	/nfs/dbraw/zinc/48/14/90/940481490.db2.gz	CWWAGFGONRYDNA-OPQOLIRYSA-N	1	0	358.486	1.533	20	30		FDEDRO
CCCC(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CCOC)C1	ZINC001131065006	940486755	/nfs/dbraw/zinc/48/67/55/940486755.db2.gz	ZFETUUCFWMEZSG-IAGOWNOFSA-N	1	0	360.502	1.780	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccsc2C)C[C@H]1c1cncn1C	ZINC001131084529	940489422	/nfs/dbraw/zinc/48/94/22/940489422.db2.gz	XKMPMFVSVNNLQY-IAGOWNOFSA-N	1	0	356.495	1.940	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cn(CC=C)nn2)C[C@H]1c1cncn1C	ZINC001131084505	940489432	/nfs/dbraw/zinc/48/94/32/940489432.db2.gz	WMWTYQNOJWSDSC-HZPDHXFCSA-N	1	0	369.473	1.362	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2nc(C3CC3)oc2C)C[C@H]1c1cncn1C	ZINC001131098609	940492870	/nfs/dbraw/zinc/49/28/70/940492870.db2.gz	HNWOQYAXRNYPHL-HZPDHXFCSA-N	1	0	367.453	1.815	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCCCO2)C[C@H]1c1cncn1C	ZINC001131086546	940493631	/nfs/dbraw/zinc/49/36/31/940493631.db2.gz	RTNVCSWRJBLZRA-RCCFBDPRSA-N	1	0	358.486	1.677	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCCOC)C[C@H]1c1cncn1C	ZINC001131086354	940493641	/nfs/dbraw/zinc/49/36/41/940493641.db2.gz	NNPNXGXUFIPCEN-BRWVUGGUSA-N	1	0	364.490	1.322	20	30		FDEDRO
COc1ccc(CNC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1C#N	ZINC000747433444	940496301	/nfs/dbraw/zinc/49/63/01/940496301.db2.gz	WVSGDGWKIATXBO-GOSISDBHSA-N	1	0	371.485	1.488	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COCc2ccncc2)C[C@H]1c1cncn1C	ZINC001131094022	940496723	/nfs/dbraw/zinc/49/67/23/940496723.db2.gz	QWJDHVVZIPHYKT-QZTJIDSGSA-N	1	0	369.469	1.492	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]C[C@@H](C)OC)C2)nc1	ZINC001131110726	940498323	/nfs/dbraw/zinc/49/83/23/940498323.db2.gz	WOIWNTQEOZNMKQ-QGPMSJSTSA-N	1	0	367.453	1.029	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCCF)C2)cn1	ZINC001131112573	940498781	/nfs/dbraw/zinc/49/87/81/940498781.db2.gz	GFQCRZBXJOIXOW-IAGOWNOFSA-N	1	0	355.417	1.354	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(Cl)cn2)C[C@H]1c1cncn1C	ZINC001131112838	940499202	/nfs/dbraw/zinc/49/92/02/940499202.db2.gz	PTKMJOZATCVQBZ-GDBMZVCRSA-N	1	0	357.845	1.690	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(F)cccc2F)C[C@H]1c1cncn1C	ZINC001131113396	940499381	/nfs/dbraw/zinc/49/93/81/940499381.db2.gz	ZCVDHLXOIVOQEO-CZUORRHYSA-N	1	0	358.392	1.919	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC23CCCC3)C[C@H]1c1cncn1C	ZINC001131103662	940501110	/nfs/dbraw/zinc/50/11/10/940501110.db2.gz	VWQYCRUZLZIORH-FGTMMUONSA-N	1	0	370.497	1.534	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3c([nH]2)CCCC3)C[C@H]1c1cncn1C	ZINC001131105683	940501642	/nfs/dbraw/zinc/50/16/42/940501642.db2.gz	FBAYUFRWYHSAFN-VQIMIIECSA-N	1	0	365.481	1.848	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1c1cncn1C	ZINC001131106343	940501867	/nfs/dbraw/zinc/50/18/67/940501867.db2.gz	UXJGCNFZMNMROT-HZPDHXFCSA-N	1	0	371.489	1.411	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2Cl)C[C@H]1c1cncn1C	ZINC001131108609	940502846	/nfs/dbraw/zinc/50/28/46/940502846.db2.gz	YBHPORWQRVJMFU-TZMCWYRMSA-N	1	0	360.849	1.028	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](F)Cc2ccccc2)C[C@H]1c1cncn1C	ZINC001131125933	940507918	/nfs/dbraw/zinc/50/79/18/940507918.db2.gz	NXRBSBMLNQDWOV-GUDVDZBRSA-N	1	0	368.456	1.908	20	30		FDEDRO
C[C@H](NC(=S)NN=C1c2ccccc2N(CC[NH+](C)C)C1=O)C1CC1	ZINC000807975318	940508484	/nfs/dbraw/zinc/50/84/84/940508484.db2.gz	OMGVCGXKYKASEY-LBPRGKRZSA-N	1	0	359.499	1.562	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](OC)C2CCCC2)C[C@H]1c1cncn1C	ZINC001131115226	940508590	/nfs/dbraw/zinc/50/85/90/940508590.db2.gz	FLGXKDCEXYLCIA-LMMKCTJWSA-N	1	0	358.486	1.533	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3nccnc3N)C2)ccc1F	ZINC001086661823	940535947	/nfs/dbraw/zinc/53/59/47/940535947.db2.gz	KQMSYTZAZFHXLP-DZGCQCFKSA-N	1	0	368.416	1.758	20	30		FDEDRO
CCCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C#CC2CC2)C1	ZINC001131306996	940548716	/nfs/dbraw/zinc/54/87/16/940548716.db2.gz	FEMCEDUMEYCGIR-KURKYZTESA-N	1	0	359.470	1.696	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCCC=C)C[C@H]32)C1	ZINC001131307129	940548842	/nfs/dbraw/zinc/54/88/42/940548842.db2.gz	JWOFUXURMLGPRB-KSZLIROESA-N	1	0	359.470	1.862	20	30		FDEDRO
CCCn1ncnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1	ZINC001086668488	940563090	/nfs/dbraw/zinc/56/30/90/940563090.db2.gz	QNFZYLCVLGWHCH-DZGCQCFKSA-N	1	0	355.446	1.576	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3CCF)C2)c1	ZINC001086668568	940563322	/nfs/dbraw/zinc/56/33/22/940563322.db2.gz	SVJZGCOWSPRVEM-GXTWGEPZSA-N	1	0	359.409	1.136	20	30		FDEDRO
CC(C)n1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)nn1	ZINC001086668003	940565276	/nfs/dbraw/zinc/56/52/76/940565276.db2.gz	DDSRJZWSXDQKFO-DZGCQCFKSA-N	1	0	355.446	1.747	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2COCCO2)CC1	ZINC001131426319	940566830	/nfs/dbraw/zinc/56/68/30/940566830.db2.gz	FEGBIXOHGOMSSY-KURKYZTESA-N	1	0	352.475	1.354	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)/C=C(\C)C2CC2)CC1	ZINC001131434019	940597340	/nfs/dbraw/zinc/59/73/40/940597340.db2.gz	NWYZFKVSIRWHHT-RQVCNLKISA-N	1	0	360.498	1.978	20	30		FDEDRO
CCO[C@@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC#CCOC)CC1	ZINC001131434098	940597673	/nfs/dbraw/zinc/59/76/73/940597673.db2.gz	QJCHOTIOOAXRNK-JQHSSLGASA-N	1	0	352.475	1.047	20	30		FDEDRO
C=CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCOC)CC1	ZINC001131448670	940602388	/nfs/dbraw/zinc/60/23/88/940602388.db2.gz	LNYYRRRVNBRETI-MJGOQNOKSA-N	1	0	354.491	1.601	20	30		FDEDRO
C=CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cnnn2CC)CC1	ZINC001131448871	940602793	/nfs/dbraw/zinc/60/27/93/940602793.db2.gz	VDCNHGSBUWAWDL-MJGOQNOKSA-N	1	0	361.490	1.750	20	30		FDEDRO
C=CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(=O)NC2CC2)CC1	ZINC001131448936	940602840	/nfs/dbraw/zinc/60/28/40/940602840.db2.gz	XWEPEJDPDLPNJB-YJLNNSPDSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N[C@H](C)CC)CC1	ZINC001131448772	940602998	/nfs/dbraw/zinc/60/29/98/940602998.db2.gz	QGNCCCADDXDLGW-MDYRTPRTSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC001131464220	940621810	/nfs/dbraw/zinc/62/18/10/940621810.db2.gz	IICFXHHNNZSELM-QYZOEREBSA-N	1	0	365.518	1.269	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2CC(F)(F)C2)CC1	ZINC001131467716	940623917	/nfs/dbraw/zinc/62/39/17/940623917.db2.gz	NDIKGRLZMZWZQT-SJORKVTESA-N	1	0	370.440	1.667	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H]2COC(=O)C2)CC1	ZINC001131467766	940624425	/nfs/dbraw/zinc/62/44/25/940624425.db2.gz	PMYXNEYVNMYEPF-VPWXQRGCSA-N	1	0	364.486	1.892	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[C@H](C)OC)CC1	ZINC001131478523	940634308	/nfs/dbraw/zinc/63/43/08/940634308.db2.gz	BUNIATGOWBEVCI-HQRMLTQVSA-N	1	0	368.518	1.990	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCc3cn[nH]c32)CC1	ZINC001131495765	940647090	/nfs/dbraw/zinc/64/70/90/940647090.db2.gz	DHSNZRWJYRSRFO-GGPKGHCWSA-N	1	0	370.497	1.839	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccn(C(F)F)n2)CC1	ZINC001131506753	940669069	/nfs/dbraw/zinc/66/90/69/940669069.db2.gz	NNDPEJVVNAWJAY-ZBFHGGJFSA-N	1	0	366.412	1.901	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCN(C)C(=O)C2)CC1	ZINC001131519188	940688402	/nfs/dbraw/zinc/68/84/02/940688402.db2.gz	IWZLVLHTTNNGDI-LMMKCTJWSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@]23CCC[C@H]2OCC3)CC1	ZINC001131528290	940698009	/nfs/dbraw/zinc/69/80/09/940698009.db2.gz	PYZMYDVHEYMBOY-BNDYYXHWSA-N	1	0	360.498	1.955	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCn3ccnc3C2)CC1	ZINC001131522372	940705641	/nfs/dbraw/zinc/70/56/41/940705641.db2.gz	DSLCHNFQDJLZEZ-GGPKGHCWSA-N	1	0	370.497	1.455	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H]2CCCC(=O)N2)CC1	ZINC001131526456	940711464	/nfs/dbraw/zinc/71/14/64/940711464.db2.gz	UAFBBKTWWMGSKL-QKLQHJQFSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H]2CCCC(=O)N2)CC1	ZINC001131526455	940711514	/nfs/dbraw/zinc/71/15/14/940711514.db2.gz	UAFBBKTWWMGSKL-HLIPFELVSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)CC(N)=O)CC1	ZINC001131541363	940715394	/nfs/dbraw/zinc/71/53/94/940715394.db2.gz	KVPFRTJFMGFITB-KYJSFNMBSA-N	1	0	351.491	1.450	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCO)CC1	ZINC001131546289	940722244	/nfs/dbraw/zinc/72/22/44/940722244.db2.gz	VENHYGVWJJGIPA-SJORKVTESA-N	1	0	354.491	1.193	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1	ZINC001131537940	940726035	/nfs/dbraw/zinc/72/60/35/940726035.db2.gz	BYPILZLMPPPBJR-WSTZPKSXSA-N	1	0	368.518	1.583	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@]2(COC)CCOC2)CC1	ZINC001131538921	940726584	/nfs/dbraw/zinc/72/65/84/940726584.db2.gz	YKJNYEXAPBIHQG-HBFSDRIKSA-N	1	0	366.502	1.601	20	30		FDEDRO
C=CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NCC)CC1	ZINC001131555516	940730590	/nfs/dbraw/zinc/73/05/90/940730590.db2.gz	JIIONGSFFPKGRE-APWZRJJASA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@]2(C)CCC(=O)N2)CC1	ZINC001131562352	940735854	/nfs/dbraw/zinc/73/58/54/940735854.db2.gz	QNDLRKBJXJFVOX-KPFFTGBYSA-N	1	0	363.502	1.607	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2Cc3ccncc3C2)CC1	ZINC001131570491	940746112	/nfs/dbraw/zinc/74/61/12/940746112.db2.gz	JLYRDPCYMZGEKG-TYPHKJRUSA-N	1	0	367.493	1.805	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCc3nc[nH]c3C2)CC1	ZINC001131590627	940760199	/nfs/dbraw/zinc/76/01/99/940760199.db2.gz	LSYVKLBWFJEYPE-HQRMLTQVSA-N	1	0	370.497	1.524	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCc2ccncc2)CC1	ZINC001131585080	940770680	/nfs/dbraw/zinc/77/06/80/940770680.db2.gz	MMZZVJVKWFTHLI-CTNGQTDRSA-N	1	0	371.481	1.607	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCN(C(C)=O)C2)CC1	ZINC001131599745	940783196	/nfs/dbraw/zinc/78/31/96/940783196.db2.gz	JZXCLNHUVAHYMK-OTWHNJEPSA-N	1	0	363.502	1.417	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCc3c[nH]nc3C2)CC1	ZINC001131607063	940786489	/nfs/dbraw/zinc/78/64/89/940786489.db2.gz	VJLAJSLIPZJOSK-HQRMLTQVSA-N	1	0	370.497	1.524	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCC(=O)N(C)C2)CC1	ZINC001131608966	940789108	/nfs/dbraw/zinc/78/91/08/940789108.db2.gz	RNSASTJYGQCALK-SCTDSRPQSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC[C@@H](C(CC)CC)[NH+]1CCCC1)[C@@H]1CCCO1	ZINC000809313726	940817085	/nfs/dbraw/zinc/81/70/85/940817085.db2.gz	UQYAZCBXZGRDJA-BZSNNMDCSA-N	1	0	363.502	1.300	20	30		FDEDRO
C#Cc1ccc(C[NH2+][C@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)cc1	ZINC000809613601	940867183	/nfs/dbraw/zinc/86/71/83/940867183.db2.gz	AITJLOMVNWKJRP-CQSZACIVSA-N	1	0	371.462	1.693	20	30		FDEDRO
C#Cc1ccc(C[NH2+][C@@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)cc1	ZINC000809657447	940878302	/nfs/dbraw/zinc/87/83/02/940878302.db2.gz	GQVRGVHCJSGIIT-HXUWFJFHSA-N	1	0	365.481	1.978	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH+]2CCC(CNS(C)(=O)=O)CC2)cc1	ZINC000809694091	940879627	/nfs/dbraw/zinc/87/96/27/940879627.db2.gz	JKNLJBNDALJWDC-CQSZACIVSA-N	1	0	351.472	1.739	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)CC1	ZINC000810060423	940949961	/nfs/dbraw/zinc/94/99/61/940949961.db2.gz	SMXGJHCRONCMMC-AZUAARDMSA-N	1	0	374.916	1.452	20	30		FDEDRO
Cc1nc(C#N)c(C#N)nc1N(CC(C)(C)[NH3+])S(=O)(=O)c1ccccc1	ZINC001170599841	940963276	/nfs/dbraw/zinc/96/32/76/940963276.db2.gz	KZQJFZFHMBIDMO-UHFFFAOYSA-N	1	0	370.438	1.461	20	30		FDEDRO
N#CCc1ccccc1CC(=O)O[C@@H]1CCCN(c2cc[nH+]c(N)n2)C1	ZINC000810761304	941052682	/nfs/dbraw/zinc/05/26/82/941052682.db2.gz	LKTOSHZBNAPWRZ-MRXNPFEDSA-N	1	0	351.410	1.880	20	30		FDEDRO
C[N@H+](CCC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O)C1CCCCC1	ZINC001090504992	941118645	/nfs/dbraw/zinc/11/86/45/941118645.db2.gz	GVOIZDHDAVMNQY-QZTJIDSGSA-N	1	0	371.485	1.274	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nsc3ccc(C)cc32)C1	ZINC001195223309	970779229	/nfs/dbraw/zinc/77/92/29/970779229.db2.gz	XIIBGIBWHQUZSK-HUUCEWRRSA-N	1	0	361.467	1.582	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCc2cnn(C)c2)C1	ZINC001086698868	941169416	/nfs/dbraw/zinc/16/94/16/941169416.db2.gz	DZQSVGDQFQKJOR-AITUJVMLSA-N	1	0	360.502	1.818	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ncnn2CC)C1	ZINC001086698977	941170093	/nfs/dbraw/zinc/17/00/93/941170093.db2.gz	LSFXYAVZYOJOCL-HZMVEIRTSA-N	1	0	361.490	1.654	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1	ZINC000811938377	941173642	/nfs/dbraw/zinc/17/36/42/941173642.db2.gz	AWZFLCXQPCCEHG-CQSZACIVSA-N	1	0	351.472	1.057	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1	ZINC000747823921	941279983	/nfs/dbraw/zinc/27/99/83/941279983.db2.gz	FRNHSQKIJCXZCT-UHFFFAOYSA-N	1	0	372.425	1.693	20	30		FDEDRO
C#C[C@@H](NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(F)cc1	ZINC000812893652	941293256	/nfs/dbraw/zinc/29/32/56/941293256.db2.gz	ZMIRWKLKGYUZCM-RBUKOAKNSA-N	1	0	374.460	1.206	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccc(F)cc1	ZINC000812939290	941298273	/nfs/dbraw/zinc/29/82/73/941298273.db2.gz	VXIRZKNTARMODN-GOSISDBHSA-N	1	0	372.444	1.450	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)Cc1ccccc1	ZINC001134062391	941541292	/nfs/dbraw/zinc/54/12/92/941541292.db2.gz	YZXXQZWNYLQYBZ-JQHSSLGASA-N	1	0	359.470	1.330	20	30		FDEDRO
CC(C)C[C@@H]1C[C@H]1C(=O)NCC[NH2+]CC(=O)NCC#Cc1ccccc1	ZINC001134063666	941541718	/nfs/dbraw/zinc/54/17/18/941541718.db2.gz	UGHIPWAPXHSAAM-RTBURBONSA-N	1	0	355.482	1.542	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2cccnc2)c1	ZINC001134142148	941583329	/nfs/dbraw/zinc/58/33/29/941583329.db2.gz	OTJNVPRAOYQMBN-RBUKOAKNSA-N	1	0	362.433	1.511	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCc2ccns2)C1	ZINC001086721138	941642563	/nfs/dbraw/zinc/64/25/63/941642563.db2.gz	ILMWKMGHIWQLKN-JZXOWHBKSA-N	1	0	360.527	1.658	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)c2cscc2C#N)C1	ZINC000814612051	941685940	/nfs/dbraw/zinc/68/59/40/941685940.db2.gz	JGSIDGFJGIIDGM-CQSZACIVSA-N	1	0	365.455	1.250	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1	ZINC000265990502	970838265	/nfs/dbraw/zinc/83/82/65/970838265.db2.gz	JIOROUNGUJITRA-AWEZNQCLSA-N	1	0	358.442	1.803	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]C1(C(=O)Nc2ccc(OC)c(OC)c2)CCCC1	ZINC000815073471	941773770	/nfs/dbraw/zinc/77/37/70/941773770.db2.gz	OIMVSUJOGFGLRX-UHFFFAOYSA-N	1	0	373.453	1.684	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(OCC(F)(F)F)nc1	ZINC000815082404	941777796	/nfs/dbraw/zinc/77/77/96/941777796.db2.gz	OTSRRLUGXCCVRF-UHFFFAOYSA-N	1	0	365.377	1.256	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21	ZINC000815082239	941777839	/nfs/dbraw/zinc/77/78/39/941777839.db2.gz	HBDSGVUTRPMHHQ-UHFFFAOYSA-N	1	0	362.411	1.376	20	30		FDEDRO
C#CCNC(=O)CC[NH+]1CCN(c2cccc(Br)c2)CC1	ZINC000815113214	941780357	/nfs/dbraw/zinc/78/03/57/941780357.db2.gz	SRZUIUITFONLSK-UHFFFAOYSA-N	1	0	350.260	1.711	20	30		FDEDRO
CCc1ccc(C#CC(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1	ZINC000815251816	941809062	/nfs/dbraw/zinc/80/90/62/941809062.db2.gz	YMOHXIJTUWPLMC-IBGZPJMESA-N	1	0	353.466	1.541	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C)C1	ZINC001135058353	941873985	/nfs/dbraw/zinc/87/39/85/941873985.db2.gz	MTGPUFBUBRWDNC-RYRKJORJSA-N	1	0	351.491	1.322	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC1CCCCC1	ZINC001135067813	941883374	/nfs/dbraw/zinc/88/33/74/941883374.db2.gz	NOFOQXANBZQDCB-NJAFHUGGSA-N	1	0	365.518	1.901	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]Cc1cccc(C(=O)NC)c1	ZINC001135068008	941883742	/nfs/dbraw/zinc/88/37/42/941883742.db2.gz	WOTXAWQKKREBGH-ROUUACIJSA-N	1	0	359.470	1.623	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)COc1cccc(C)c1	ZINC001135145531	941929090	/nfs/dbraw/zinc/92/90/90/941929090.db2.gz	NCHOKIDBNLCPFK-NEWSRXKRSA-N	1	0	362.470	1.422	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)COCc1cccs1	ZINC001135145693	941929721	/nfs/dbraw/zinc/92/97/21/941929721.db2.gz	PSVRYPOKQWPWFD-PVAVHDDUSA-N	1	0	368.499	1.313	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)COCc1ccccc1	ZINC001135145894	941930245	/nfs/dbraw/zinc/93/02/45/941930245.db2.gz	XIJNXFQFPIJVRW-FHWLQOOXSA-N	1	0	362.470	1.251	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)Nc1nccs1	ZINC001135148001	941935016	/nfs/dbraw/zinc/93/50/16/941935016.db2.gz	XWBVGXBEGAIJKN-AGIUHOORSA-N	1	0	352.460	1.157	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCO[C@H]1C(=C)C	ZINC001135147190	941942327	/nfs/dbraw/zinc/94/23/27/941942327.db2.gz	DDKOKCUBWDXUIU-ULQDDVLXSA-N	1	0	351.491	1.487	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)c1ccc(F)cc1F	ZINC001135147585	941942860	/nfs/dbraw/zinc/94/28/60/941942860.db2.gz	NFCXFQNQHGCWOH-UAGQMJEPSA-N	1	0	354.397	1.685	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(C)nn1-c1ccccc1C	ZINC000815860236	941996453	/nfs/dbraw/zinc/99/64/53/941996453.db2.gz	CBBAYWJIBHFJCU-UHFFFAOYSA-N	1	0	367.453	1.499	20	30		FDEDRO
C=CCOc1ccccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnnn2C)C1	ZINC001086735929	942104235	/nfs/dbraw/zinc/10/42/35/942104235.db2.gz	UHOHDZAHCJVQKC-LSDHHAIUSA-N	1	0	370.457	1.463	20	30		FDEDRO
C[C@H](CC#N)[N@H+](C)C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1	ZINC000816503491	942233712	/nfs/dbraw/zinc/23/37/12/942233712.db2.gz	AABZFXSCWFPXHS-HUUCEWRRSA-N	1	0	352.479	1.984	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccnnc3C)C2)C1=O	ZINC001086746902	942236264	/nfs/dbraw/zinc/23/62/64/942236264.db2.gz	XLEVZJQZTAHMNW-UXLLHSPISA-N	1	0	357.458	1.060	20	30		FDEDRO
C#CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2N(C)C)C[C@H]1O	ZINC001195333558	970900875	/nfs/dbraw/zinc/90/08/75/970900875.db2.gz	KAKONAILUYJNBO-UYAOXDASSA-N	1	0	357.498	1.998	20	30		FDEDRO
C#C[C@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)C1CCOCC1	ZINC000856108285	970914553	/nfs/dbraw/zinc/91/45/53/970914553.db2.gz	GMAVPXLFEWWHNI-FQEVSTJZSA-N	1	0	355.482	1.592	20	30		FDEDRO
C#C[C@@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)C1CCOCC1	ZINC000856108286	970914665	/nfs/dbraw/zinc/91/46/65/970914665.db2.gz	GMAVPXLFEWWHNI-HXUWFJFHSA-N	1	0	355.482	1.592	20	30		FDEDRO
N#CCOc1cccc(CC(=O)NCC(=O)NCC[NH+]2CCCCCC2)c1	ZINC000817164447	942600408	/nfs/dbraw/zinc/60/04/08/942600408.db2.gz	PAMFVEKHAXBCHN-UHFFFAOYSA-N	1	0	372.469	1.240	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccn(CC)n3)C2)c1	ZINC001086798204	942604637	/nfs/dbraw/zinc/60/46/37/942604637.db2.gz	BEHBZSRGBMWRFB-FUHWJXTLSA-N	1	0	351.454	1.968	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3CCC)C2)c1	ZINC001086798832	942623329	/nfs/dbraw/zinc/62/33/29/942623329.db2.gz	KAINQSZRMIISCG-DOTOQJQBSA-N	1	0	367.457	1.148	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@@H]3CCNC(=O)CC3)C2)c1	ZINC001086798575	942636089	/nfs/dbraw/zinc/63/60/89/942636089.db2.gz	VJQYIAFVWWQDIL-JENIJYKNSA-N	1	0	368.481	1.467	20	30		FDEDRO
N#CCOc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1	ZINC001086803851	942749882	/nfs/dbraw/zinc/74/98/82/942749882.db2.gz	CXWRLHXUQKLLIH-IDCNUPLLSA-N	1	0	370.453	1.085	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC001086804964	942789968	/nfs/dbraw/zinc/78/99/68/942789968.db2.gz	QRJLKCNKQKQIGF-CYJAXWMASA-N	1	0	368.481	1.834	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1	ZINC000817845365	943008286	/nfs/dbraw/zinc/00/82/86/943008286.db2.gz	DTLZFDRGBPUBCV-LJQANCHMSA-N	1	0	353.466	1.474	20	30		FDEDRO
C=CCCN(OCc1ccccc1)C(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1	ZINC000817985669	943118731	/nfs/dbraw/zinc/11/87/31/943118731.db2.gz	MSRYNBKJLLFDKY-WMZOPIPTSA-N	1	0	359.470	1.966	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nncn3C)C2)cc1	ZINC001086821043	943245904	/nfs/dbraw/zinc/24/59/04/943245904.db2.gz	NDLNDECOPOENJO-DOTOQJQBSA-N	1	0	367.453	1.515	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2[NH2+]CC2(C)C)cc1	ZINC000818490457	943255347	/nfs/dbraw/zinc/25/53/47/943255347.db2.gz	ASDRMQNZAFVGIC-CPOQMQJTSA-N	1	0	364.471	1.436	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[N@H+](C[C@H](Cc2ccccc2)OC)C[C@H]1O	ZINC001195474867	970979058	/nfs/dbraw/zinc/97/90/58/970979058.db2.gz	YUKGVDLTMIZDGI-XUVXKRRUSA-N	1	0	358.482	1.599	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)/C=C/c1ccc(I)o1	ZINC000818589334	943297394	/nfs/dbraw/zinc/29/73/94/943297394.db2.gz	XABUWBUIFKMQHK-SOFGYWHQSA-N	1	0	372.206	1.969	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1	ZINC000818611906	943301851	/nfs/dbraw/zinc/30/18/51/943301851.db2.gz	HVFLEWXVPDDYRH-UHFFFAOYSA-N	1	0	365.359	1.971	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccc(Cl)c1	ZINC000818611845	943302402	/nfs/dbraw/zinc/30/24/02/943302402.db2.gz	FLUHIWSKJZNFOZ-FUHWJXTLSA-N	1	0	361.873	1.931	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1nnn(Cc2ccc(F)cc2)c1CC	ZINC000818609332	943330988	/nfs/dbraw/zinc/33/09/88/943330988.db2.gz	QZWHTSMNQVHYAX-UHFFFAOYSA-N	1	0	357.433	1.713	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(-n3cncn3)nc2)cc1	ZINC000818959613	943366040	/nfs/dbraw/zinc/36/60/40/943366040.db2.gz	OVQMHJJMSKLHKN-QGZVFWFLSA-N	1	0	364.409	1.258	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1CCCCN1C(=O)OC(C)(C)C	ZINC000818979410	943368700	/nfs/dbraw/zinc/36/87/00/943368700.db2.gz	LTGXKCQHODVVFH-JKSUJKDBSA-N	1	0	354.495	1.572	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]Cc1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000818996373	943376839	/nfs/dbraw/zinc/37/68/39/943376839.db2.gz	FRBYYJSAUSTMNX-UHFFFAOYSA-N	1	0	363.483	1.090	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1	ZINC000818998644	943377375	/nfs/dbraw/zinc/37/73/75/943377375.db2.gz	JKHRGQBPJFQIRY-MRXNPFEDSA-N	1	0	356.470	1.733	20	30		FDEDRO
Cc1ccc(C)c(OC[C@@H](O)C[NH2+]CCNC(=O)C2N=CC=CC2=O)c1C	ZINC000819053788	943396352	/nfs/dbraw/zinc/39/63/52/943396352.db2.gz	KZHDATZVCXBPCR-MXLIYFDZSA-N	1	0	373.453	1.468	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnnn2C)C1	ZINC001086824861	943437121	/nfs/dbraw/zinc/43/71/21/943437121.db2.gz	CWGGRVNIZFBDBJ-MVJTYMMSSA-N	1	0	361.490	1.561	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+]C[C@H]2COC(C)(C)O2)c(OC)c1	ZINC000819156227	943444524	/nfs/dbraw/zinc/44/45/24/943444524.db2.gz	QMRBUQIPTOFMQH-CVEARBPZSA-N	1	0	351.443	1.905	20	30		FDEDRO
COC(=O)c1ccc(OC[C@H](O)C[NH2+]Cc2ccc(OC)c(C#N)c2)cc1	ZINC000819182423	943466345	/nfs/dbraw/zinc/46/63/45/943466345.db2.gz	NDMSAYRXBAYOCD-QGZVFWFLSA-N	1	0	370.405	1.883	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2COC3(CCCC3)O2)nc1	ZINC000819204277	943474993	/nfs/dbraw/zinc/47/49/93/943474993.db2.gz	AZZKXYHKGJMLND-CQSZACIVSA-N	1	0	351.428	1.002	20	30		FDEDRO
CCOC(=O)N1CC[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000819239286	943478204	/nfs/dbraw/zinc/47/82/04/943478204.db2.gz	QVHIFFNISOKERQ-AWEZNQCLSA-N	1	0	351.428	1.152	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1	ZINC000819243882	943480337	/nfs/dbraw/zinc/48/03/37/943480337.db2.gz	GQGZGLAJRIFKLP-MRXNPFEDSA-N	1	0	352.479	1.350	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21	ZINC000819222404	943494775	/nfs/dbraw/zinc/49/47/75/943494775.db2.gz	QLZGTOQDTGCESH-FUHWJXTLSA-N	1	0	353.484	1.632	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1	ZINC000819224495	943496476	/nfs/dbraw/zinc/49/64/76/943496476.db2.gz	GICZNBOFTZWWRL-APWZRJJASA-N	1	0	368.522	1.820	20	30		FDEDRO
COc1ccc(N2CCN(C[C@@H](O)C[NH2+]CC3(CC#N)CC3)CC2)cc1	ZINC000819280485	943524956	/nfs/dbraw/zinc/52/49/56/943524956.db2.gz	HAASSSYSYAFHKZ-SFHVURJKSA-N	1	0	358.486	1.462	20	30		FDEDRO
C[NH+](C)CCOc1ccc(NCCS(=O)(=O)c2ccc(C#N)cn2)cc1	ZINC000819452261	943574643	/nfs/dbraw/zinc/57/46/43/943574643.db2.gz	KARNIIUVVUHBJC-UHFFFAOYSA-N	1	0	374.466	1.779	20	30		FDEDRO
CN(CCCNC(=S)NN=C1CC[NH+](CCO)CC1)c1ccccc1	ZINC000819808138	943735248	/nfs/dbraw/zinc/73/52/48/943735248.db2.gz	ZUKCLXIHVZTZEZ-UHFFFAOYSA-N	1	0	363.531	1.421	20	30		FDEDRO
CC[C@@H](C(=O)N[C@@H]1CN(c2nc(C)ccc2C#N)C[C@H]1O)[NH+](CC)CC	ZINC001090530868	943879121	/nfs/dbraw/zinc/87/91/21/943879121.db2.gz	ZEVVANLFWRRDTP-IXDOHACOSA-N	1	0	359.474	1.048	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3nnc[nH]3)C2)cc1C#N	ZINC001086832624	943932416	/nfs/dbraw/zinc/93/24/16/943932416.db2.gz	ZZLUQQYDZDTBOX-DZGCQCFKSA-N	1	0	354.414	1.373	20	30		FDEDRO
C#C[C@H](NC(=O)NCC1(O)CC[NH+](C)CC1)c1ccc(Cl)cc1F	ZINC000820737528	944195323	/nfs/dbraw/zinc/19/53/23/944195323.db2.gz	FTIGTJUEUOYGHF-HNNXBMFYSA-N	1	0	353.825	1.909	20	30		FDEDRO
CON=C(C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1csc(N)n1	ZINC000820952694	944266539	/nfs/dbraw/zinc/26/65/39/944266539.db2.gz	HQSIVSQRXGFNQG-CQSZACIVSA-N	1	0	373.482	1.809	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C	ZINC000821331066	944422078	/nfs/dbraw/zinc/42/20/78/944422078.db2.gz	DZZXMKPEAOUCJK-UHFFFAOYSA-N	1	0	364.421	1.321	20	30		FDEDRO
CCC[C@H]1CN(C(=O)C(=NOC)c2csc(N)n2)CC[N@@H+]1CCOC	ZINC000821452459	944511327	/nfs/dbraw/zinc/51/13/27/944511327.db2.gz	AJKYRQPLOIWHGT-LBPRGKRZSA-N	1	0	369.491	1.035	20	30		FDEDRO
C#C[C@H](NC(=O)N1CC[N@H+](CCOC)[C@@H](CCC)C1)C1CCOCC1	ZINC000823172596	945516651	/nfs/dbraw/zinc/51/66/51/945516651.db2.gz	IIDYIYJIIOCUMO-ROUUACIJSA-N	1	0	351.491	1.557	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2cc(F)cc(C#N)c2)C[C@H]1[NH+]1CCCC1	ZINC000867125159	971169808	/nfs/dbraw/zinc/16/98/08/971169808.db2.gz	UERRKQUSBIBHMW-CVEARBPZSA-N	1	0	369.487	1.898	20	30		FDEDRO
C[NH+](C)CCCC(=O)N[C@@H]1CN(CC#Cc2cccc(Cl)c2)C[C@H]1O	ZINC001195701960	971170224	/nfs/dbraw/zinc/17/02/24/971170224.db2.gz	VWKWLTUGDNOADM-QZTJIDSGSA-N	1	0	363.889	1.195	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)CC1	ZINC000823418850	945763181	/nfs/dbraw/zinc/76/31/81/945763181.db2.gz	KOIGGXDPTDQWCJ-OXQOHEQNSA-N	1	0	361.486	1.705	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C)[NH+]1CCCC1	ZINC001090722209	945971783	/nfs/dbraw/zinc/97/17/83/945971783.db2.gz	WSWXDYNPYPELQC-RKVPGOIHSA-N	1	0	356.474	1.410	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C)[NH+]1CCCC1	ZINC001090722259	945972942	/nfs/dbraw/zinc/97/29/42/945972942.db2.gz	YUUWPCCYDDNNST-QGPMSJSTSA-N	1	0	356.474	1.410	20	30		FDEDRO
CC[NH+](CC)[C@H](C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C)C(C)C	ZINC001090753414	946243835	/nfs/dbraw/zinc/24/38/35/946243835.db2.gz	URRIJKNLWDGQAB-KYJSFNMBSA-N	1	0	358.490	1.656	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2	ZINC001110709956	971228639	/nfs/dbraw/zinc/22/86/39/971228639.db2.gz	SIDMOWMHANNETN-MLHJIOFPSA-N	1	0	374.529	1.275	20	30		FDEDRO
C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001573283550	946720720	/nfs/dbraw/zinc/72/07/20/946720720.db2.gz	VAFRRZBHMQJZIZ-IRXDYDNUSA-N	1	0	367.457	1.677	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[NH2+][C@H](C(C)C)C2)s1	ZINC000824779720	946751111	/nfs/dbraw/zinc/75/11/11/946751111.db2.gz	TUSAQHUEFZJYGN-AWEZNQCLSA-N	1	0	371.528	1.211	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CCCCNc1cc([C@H]2CCC[NH2+]C2)nc(C)n1	ZINC001171068001	946769492	/nfs/dbraw/zinc/76/94/92/946769492.db2.gz	SGXMCABLFRGBSR-HOTGVXAUSA-N	1	0	361.490	1.891	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CCCCNc1cc([C@@H]2CCC[NH2+]C2)nc(C)n1	ZINC001171067999	946769636	/nfs/dbraw/zinc/76/96/36/946769636.db2.gz	SGXMCABLFRGBSR-CVEARBPZSA-N	1	0	361.490	1.891	20	30		FDEDRO
C=C(Br)C[NH2+][C@H](C)[C@H](C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573292037	946925997	/nfs/dbraw/zinc/92/59/97/946925997.db2.gz	NEBMENQWZQBALQ-BDAKNGLRSA-N	1	0	368.239	1.200	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H](C)[C@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573292211	946928816	/nfs/dbraw/zinc/92/88/16/946928816.db2.gz	PTKMRYFWOMFLLJ-IUCAKERBSA-N	1	0	368.239	1.200	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@H](C)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001573293369	946956478	/nfs/dbraw/zinc/95/64/78/946956478.db2.gz	UFTZUKMTNJVWBY-VIFPVBQESA-N	1	0	368.239	1.154	20	30		FDEDRO
C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1	ZINC001573294633	946994464	/nfs/dbraw/zinc/99/44/64/946994464.db2.gz	DZOSXCQDDXUVQX-CYBMUJFWSA-N	1	0	361.837	1.532	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573564783	946996726	/nfs/dbraw/zinc/99/67/26/946996726.db2.gz	KSHSPNZMMMAZMS-SGTLLEGYSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC(CN(C)c2cc[nH+]cc2-c2nn[nH]n2)CC1	ZINC001573565159	947002190	/nfs/dbraw/zinc/00/21/90/947002190.db2.gz	NUTUDQIKUDMXOJ-GFCCVEGCSA-N	1	0	354.418	1.096	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@](C)(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573565470	947007111	/nfs/dbraw/zinc/00/71/11/947007111.db2.gz	RDCLKOPCBKHYLO-XIKOKIGWSA-N	1	0	371.420	1.494	20	30		FDEDRO
C=C(Cl)C[NH2+]C1(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCCCC1	ZINC001573295292	947015146	/nfs/dbraw/zinc/01/51/46/947015146.db2.gz	NXIFYLNEBLHLPK-UHFFFAOYSA-N	1	0	363.853	1.970	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)C1	ZINC001573567555	947046788	/nfs/dbraw/zinc/04/67/88/947046788.db2.gz	OPRAKHPYEXVPAD-OLZOCXBDSA-N	1	0	373.486	1.758	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H](C)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573570034	947080581	/nfs/dbraw/zinc/08/05/81/947080581.db2.gz	IQOLFFTTZCFRIX-GHMZBOCLSA-N	1	0	357.393	1.102	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C[C@@H]2C1	ZINC001573570334	947086649	/nfs/dbraw/zinc/08/66/49/947086649.db2.gz	MSZXEVILHCISKI-FPMFFAJLSA-N	1	0	369.404	1.056	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)[C@H](C)C1	ZINC001573570812	947094196	/nfs/dbraw/zinc/09/41/96/947094196.db2.gz	UKRQVBYWIVROEI-WOSRLPQWSA-N	1	0	353.430	1.210	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C(C)(C)C	ZINC001573573016	947116959	/nfs/dbraw/zinc/11/69/59/947116959.db2.gz	KZOVLDBOSWDJFE-ABAIWWIYSA-N	1	0	373.436	1.786	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC1CC([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573576252	947149858	/nfs/dbraw/zinc/14/98/58/947149858.db2.gz	FWUVWPVYNPEFJQ-CDWSIMAYSA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC1(C)CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC001573577926	947175991	/nfs/dbraw/zinc/17/59/91/947175991.db2.gz	VQOQKVSOIVUREP-AWEZNQCLSA-N	1	0	367.457	1.745	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC[C@@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573584079	947210065	/nfs/dbraw/zinc/21/00/65/947210065.db2.gz	QGJSJRLDLWGGFD-QWHCGFSZSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC[N@H+](Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CC1	ZINC001573584448	947220909	/nfs/dbraw/zinc/22/09/09/947220909.db2.gz	WCVBMGINZLWEJU-NSHDSACASA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1	ZINC001573585138	947246589	/nfs/dbraw/zinc/24/65/89/947246589.db2.gz	LDAYECUHYUKRSO-SSKCKEOISA-N	1	0	374.408	1.037	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C(F)F)ncn1)C2	ZINC001110711958	971365113	/nfs/dbraw/zinc/36/51/13/971365113.db2.gz	XAVUORCZFQJERX-JMSVASOKSA-N	1	0	352.385	1.952	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1c1ccc(OC)cc1	ZINC001090865517	947351070	/nfs/dbraw/zinc/35/10/70/947351070.db2.gz	VMIIMJWOBYYNGO-RBUKOAKNSA-N	1	0	354.454	1.741	20	30		FDEDRO
C=CCC1(C(=O)N[C@H](C)[C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1	ZINC001573326410	947372548	/nfs/dbraw/zinc/37/25/48/947372548.db2.gz	OSJYDQPOLIBXRN-CHWSQXEVSA-N	1	0	355.446	1.735	20	30		FDEDRO
C[C@@H]1C[C@@H](N(C)CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC[N@@H+]1C	ZINC000266002221	971369843	/nfs/dbraw/zinc/36/98/43/971369843.db2.gz	OHRDIYBRIVJXTI-YCPHGPKFSA-N	1	0	367.453	1.926	20	30		FDEDRO
C=CCCC(=O)N1CCC[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1	ZINC001573329021	947415888	/nfs/dbraw/zinc/41/58/88/947415888.db2.gz	GKAPTBQSIHQHSB-AWEZNQCLSA-N	1	0	355.446	1.609	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(CCOC[C@H]3CCCCO3)C[C@H]2O)C1	ZINC001196019216	971385760	/nfs/dbraw/zinc/38/57/60/971385760.db2.gz	ACFZFWSVYGYFOS-BRWVUGGUSA-N	1	0	352.475	1.090	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1c1ccc(OC)cc1	ZINC001090875179	947488116	/nfs/dbraw/zinc/48/81/16/947488116.db2.gz	JVVBBABTLBLLON-XWPNQZOQSA-N	1	0	373.497	1.484	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2ccncn2)C[C@H]1c1ccc(OC)cc1	ZINC001090872291	947498399	/nfs/dbraw/zinc/49/83/99/947498399.db2.gz	HUEBKKSAHWBKIR-VQTJNVASSA-N	1	0	364.449	1.635	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@]2(CC)CCNC2=O)C[C@H]1c1ccc(OC)cc1	ZINC001090874151	947521502	/nfs/dbraw/zinc/52/15/02/947521502.db2.gz	CEUCOQPZVYZVQD-WAOWUJCRSA-N	1	0	369.465	1.129	20	30		FDEDRO
C=CCOCC(=O)N1CCC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573343802	947563792	/nfs/dbraw/zinc/56/37/92/947563792.db2.gz	SUUBNAGMSHYCSH-OAHLLOKOSA-N	1	0	374.420	1.289	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573350340	947593883	/nfs/dbraw/zinc/59/38/83/947593883.db2.gz	AFFMTIDLKOVARB-TWMKSMIVSA-N	1	0	368.441	1.195	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1c1ccc(OC)cc1	ZINC001090880770	947595047	/nfs/dbraw/zinc/59/50/47/947595047.db2.gz	JFCPYYKWNHPDKJ-VSZNYVQBSA-N	1	0	357.454	1.277	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@H]1c1ccc(OC)cc1	ZINC001090882661	947620449	/nfs/dbraw/zinc/62/04/49/947620449.db2.gz	OIQMCXQQUPUCRQ-FUHWJXTLSA-N	1	0	368.437	1.506	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@H]1c1ccc(OC)cc1	ZINC001090883054	947621817	/nfs/dbraw/zinc/62/18/17/947621817.db2.gz	XFFFUCPAQDDKPO-RYQLBKOJSA-N	1	0	357.454	1.434	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2[nH]cnc2CC)C[C@H]1c1ccc(OC)cc1	ZINC001090884394	947641698	/nfs/dbraw/zinc/64/16/98/947641698.db2.gz	OUMLFTOGTNBCGK-FUHWJXTLSA-N	1	0	352.438	1.812	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090884757	947648266	/nfs/dbraw/zinc/64/82/66/947648266.db2.gz	IYBITDNEWXYSNH-AYOQOUSVSA-N	1	0	369.465	1.081	20	30		FDEDRO
CC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573358415	947662429	/nfs/dbraw/zinc/66/24/29/947662429.db2.gz	JSGZFBXPHKHTRM-RHSMWYFYSA-N	1	0	369.473	1.829	20	30		FDEDRO
CO[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+]1CCCC1	ZINC001090892500	947747913	/nfs/dbraw/zinc/74/79/13/947747913.db2.gz	RNFXVGFNQUSWCO-LMMKCTJWSA-N	1	0	371.485	1.393	20	30		FDEDRO
CC[C@@H](C(=O)N[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@H]1OC)[NH+](C)C	ZINC001090904344	947882307	/nfs/dbraw/zinc/88/23/07/947882307.db2.gz	CNPASWOWLGFBOB-OUAUKWLOSA-N	1	0	371.894	1.328	20	30		FDEDRO
C[N@H+](C[C@H](O)c1cccc(C#N)c1)C[C@](C)(O)CNC(=O)OC(C)(C)C	ZINC000844371402	948000636	/nfs/dbraw/zinc/00/06/36/948000636.db2.gz	OGFPEGJUPOJNOF-QFBILLFUSA-N	1	0	363.458	1.799	20	30		FDEDRO
N#Cc1cc(S(N)(=O)=O)ccc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1	ZINC000772905469	948097792	/nfs/dbraw/zinc/09/77/92/948097792.db2.gz	YVPNIFIHZZKUGS-UGSOOPFHSA-N	1	0	360.483	1.659	20	30		FDEDRO
N#Cc1cncc(C[N@H+]2CC[C@H]3OCC[C@@H](C(=O)NC4CCC4)[C@H]3C2)c1	ZINC001144080059	948200871	/nfs/dbraw/zinc/20/08/71/948200871.db2.gz	BHUIWRWCEDFRQZ-GUDVDZBRSA-N	1	0	354.454	1.849	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1Nc1ccncc1C#N	ZINC001090983734	948226081	/nfs/dbraw/zinc/22/60/81/948226081.db2.gz	DEZLJPVNBHACDR-VQIMIIECSA-N	1	0	355.486	1.900	20	30		FDEDRO
Cc1nsc(N[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)c1C#N	ZINC001090988599	948247672	/nfs/dbraw/zinc/24/76/72/948247672.db2.gz	AIIZMWRPCNXDOX-BXUZGUMPSA-N	1	0	351.476	1.160	20	30		FDEDRO
Cn1cc(C[C@H]2[C@H](N3CCOCC3)CC[N@@H+]2Cc2ccc(C#N)cn2)cn1	ZINC001144157740	948300500	/nfs/dbraw/zinc/30/05/00/948300500.db2.gz	VIRZPHMXPDXPOW-UXHICEINSA-N	1	0	366.469	1.205	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@H]3OCC[C@@H](C(=O)NC4CCC4)[C@H]3C2)nc1	ZINC001144158875	948302500	/nfs/dbraw/zinc/30/25/00/948302500.db2.gz	SQMNJUVTNALBIY-GUDVDZBRSA-N	1	0	354.454	1.849	20	30		FDEDRO
N#C[C@H]1COCCN1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1=O	ZINC000844696411	948339756	/nfs/dbraw/zinc/33/97/56/948339756.db2.gz	BTLSLDWHTVKPQW-FHWLQOOXSA-N	1	0	354.454	1.149	20	30		FDEDRO
N#C[C@@H]1CSCCN1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1=O	ZINC000844698201	948342788	/nfs/dbraw/zinc/34/27/88/948342788.db2.gz	MYCYDWVLROZTIE-OTWHNJEPSA-N	1	0	370.522	1.865	20	30		FDEDRO
CC[NH+]1CCN(CCCCNC(=O)C(=O)/C=C\c2ccc(F)cc2)CC1	ZINC001144198061	948365661	/nfs/dbraw/zinc/36/56/61/948365661.db2.gz	SPIIUPGHQJKLLU-YFHOEESVSA-N	1	0	361.461	1.942	20	30		FDEDRO
C[C@@H](CNC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)C[NH+]1CCN(C)CC1	ZINC000845010737	948588159	/nfs/dbraw/zinc/58/81/59/948588159.db2.gz	MURUGJJDXCDBSC-QFBILLFUSA-N	1	0	373.501	1.117	20	30		FDEDRO
C[C@H](CNC(=O)N(C)C[C@H](O)c1cccc(C#N)c1)C[NH+]1CCN(C)CC1	ZINC000845010735	948588596	/nfs/dbraw/zinc/58/85/96/948588596.db2.gz	MURUGJJDXCDBSC-APWZRJJASA-N	1	0	373.501	1.117	20	30		FDEDRO
C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2cnc(-c3nn[nH]n3)c(C#N)n2)C1	ZINC001575515060	949180905	/nfs/dbraw/zinc/18/09/05/949180905.db2.gz	FQPGSBXYJICFFA-GXTWGEPZSA-N	1	0	361.413	1.776	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)CCc2ccccc2)C1	ZINC001196222190	971560712	/nfs/dbraw/zinc/56/07/12/971560712.db2.gz	IVCTUGOCKGKXNX-MISYRCLQSA-N	1	0	359.514	1.677	20	30		FDEDRO
CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H](C)C#N	ZINC001574153966	950155888	/nfs/dbraw/zinc/15/58/88/950155888.db2.gz	YOYMMJNOBGXFHK-UKRRQHHQSA-N	1	0	355.446	1.647	20	30		FDEDRO
C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1cccc(C#N)c1	ZINC001574738855	950177306	/nfs/dbraw/zinc/17/73/06/950177306.db2.gz	IJAXREBTLUOGDE-GFCCVEGCSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[C@H](CNC(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001574984028	950254361	/nfs/dbraw/zinc/25/43/61/950254361.db2.gz	VOTWEYILPSNSTP-SNVBAGLBSA-N	1	0	368.376	1.114	20	30		FDEDRO
CC(C)(C)[C@@]1(CN=NC2=NC(=O)C(=O)N2)CC[N@H+](Cc2ccccc2)C1	ZINC000857212106	971650950	/nfs/dbraw/zinc/65/09/50/971650950.db2.gz	SHXITNGATJEQSW-LJQANCHMSA-N	1	0	355.442	1.513	20	30		FDEDRO
C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCC2(C#N)CCCC2)CC1	ZINC000846052523	950415536	/nfs/dbraw/zinc/41/55/36/950415536.db2.gz	HMZABTTZKAAVPI-UHFFFAOYSA-N	1	0	369.469	1.577	20	30		FDEDRO
CCN(CN1C(=O)NC2(CC[NH+](Cc3ccccc3)CC2)C1=O)[C@@H](C)C#N	ZINC000857235799	971663850	/nfs/dbraw/zinc/66/38/50/971663850.db2.gz	AEYXCIUDEYXBKT-INIZCTEOSA-N	1	0	369.469	1.764	20	30		FDEDRO
C[C@H](CNC(=O)c1cc(C#N)c[nH]1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1	ZINC001574995335	950506672	/nfs/dbraw/zinc/50/66/72/950506672.db2.gz	DWWJYUJUHUVSCZ-GFCCVEGCSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F	ZINC001574997720	950550738	/nfs/dbraw/zinc/55/07/38/950550738.db2.gz	XFEWCCZCIMQSJE-JTQLQIEISA-N	1	0	368.376	1.114	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C#N)cn1	ZINC000846158898	950577234	/nfs/dbraw/zinc/57/72/34/950577234.db2.gz	GQWPGVKQOVFPCG-OAHLLOKOSA-N	1	0	361.446	1.414	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCC(N(CCOC)C(=O)OC(C)(C)C)CC1	ZINC000846298507	950892182	/nfs/dbraw/zinc/89/21/82/950892182.db2.gz	GBAUQWYUGPOMAR-UHFFFAOYSA-N	1	0	369.506	1.979	20	30		FDEDRO
C[C@@H]1CN(c2cc(F)cc(NC(=O)N[C@@H]3C[NH2+]C[C@H]3C#N)c2)C[C@H](C)O1	ZINC000846311870	950906699	/nfs/dbraw/zinc/90/66/99/950906699.db2.gz	CPOOADDFWDAFCS-IPJQOSJUSA-N	1	0	361.421	1.672	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnnn2-c2ccccc2)C1	ZINC001196473824	971701286	/nfs/dbraw/zinc/70/12/86/971701286.db2.gz	CGLGUOURHKRAKX-IEBWSBKVSA-N	1	0	369.469	1.789	20	30		FDEDRO
C[NH2+]Cc1ccccc1CNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N	ZINC000846323914	950924784	/nfs/dbraw/zinc/92/47/84/950924784.db2.gz	WTVSKKHKHPSOSI-AWEZNQCLSA-N	1	0	366.421	1.952	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]2CCN(c3cncc(C#N)n3)[C@H]2C1	ZINC001091224563	951082756	/nfs/dbraw/zinc/08/27/56/951082756.db2.gz	USBOTYJAKYDUBL-HOCLYGCPSA-N	1	0	356.474	1.506	20	30		FDEDRO
C[NH+](C)CCCC(=O)N1CC[C@H]2CCN(c3ncc(C#N)cc3F)[C@H]2C1	ZINC001091226235	951097081	/nfs/dbraw/zinc/09/70/81/951097081.db2.gz	LJBJQIUTXBGMAS-RDJZCZTQSA-N	1	0	359.449	1.861	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ccc(C(=O)NC)cc2)C1	ZINC001091238536	951126653	/nfs/dbraw/zinc/12/66/53/951126653.db2.gz	ZFOCXWJOZWRRLP-AWRGBYNESA-N	1	0	371.481	1.622	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC([NH2+]Cc2cccc(C(N)=O)c2)C1	ZINC001091239262	951129709	/nfs/dbraw/zinc/12/97/09/951129709.db2.gz	QSLFRACEFXUUPW-SYNTWQANSA-N	1	0	357.454	1.361	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCC1CC([NH2+]Cc2ccccc2C#N)C1	ZINC001091234682	951170890	/nfs/dbraw/zinc/17/08/90/951170890.db2.gz	KQPRKBWATACHKA-GGXGYQBMSA-N	1	0	354.454	1.267	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2nnc(C)n2CC)C1	ZINC001091278692	951296510	/nfs/dbraw/zinc/29/65/10/951296510.db2.gz	YYXKWRWJUSHYMK-OBQMCRIKSA-N	1	0	361.490	1.572	20	30		FDEDRO
C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1	ZINC000846720021	951482895	/nfs/dbraw/zinc/48/28/95/951482895.db2.gz	CWZQNMCDDNAANN-MAUKXSAKSA-N	1	0	372.469	1.041	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)c2)C1	ZINC001091400497	951572104	/nfs/dbraw/zinc/57/21/04/951572104.db2.gz	KFOOQKKYHCFFQA-RCCFBDPRSA-N	1	0	365.437	1.311	20	30		FDEDRO
C=CCOC(=O)N[C@@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2cccc(OC)c2)C1	ZINC001144936825	951588880	/nfs/dbraw/zinc/58/88/80/951588880.db2.gz	BZFUBPOFJPULIR-WBVHZDCISA-N	1	0	361.442	1.468	20	30		FDEDRO
N=C(Nc1nc(C2CC[NH2+]CC2)cc2nc[nH]c21)c1ccc(C(N)=O)cc1	ZINC001171253048	951624522	/nfs/dbraw/zinc/62/45/22/951624522.db2.gz	FMQOYWQYJACPPD-UHFFFAOYSA-N	1	0	363.425	1.561	20	30		FDEDRO
NC(=O)c1ccc(C(=[NH2+])Nc2cnc(=O)n(Cc3ccc(F)cc3)c2)cc1	ZINC001171258639	951725713	/nfs/dbraw/zinc/72/57/13/951725713.db2.gz	IBNHIDORWFDCEX-UHFFFAOYSA-N	1	0	365.368	1.567	20	30		FDEDRO
COCC(=O)N[C@H](C)c1ccc(NC(=[NH2+])c2ccc(C(N)=O)cc2)cc1	ZINC001171258781	951727649	/nfs/dbraw/zinc/72/76/49/951727649.db2.gz	NDWPFWUVAQQAIO-GFCCVEGCSA-N	1	0	354.410	1.646	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cc(C)no4)C[C@]3(C)C2)C1=O	ZINC001091479309	951861077	/nfs/dbraw/zinc/86/10/77/951861077.db2.gz	RDHRJEYAQSYCIH-VCBZYWHSSA-N	1	0	358.442	1.164	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ccccc4O)C[C@]3(C)C2)C1=O	ZINC001091496549	951879366	/nfs/dbraw/zinc/87/93/66/951879366.db2.gz	NABDJOWSSBQBTN-CEQIKUNHSA-N	1	0	369.465	1.573	20	30		FDEDRO
C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)C[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001575113965	951950445	/nfs/dbraw/zinc/95/04/45/951950445.db2.gz	JIGSZIMMLXNGCK-GFCCVEGCSA-N	1	0	364.413	1.222	20	30		FDEDRO
C[NH+](C)CCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1c1ccccc1	ZINC001091532539	951954437	/nfs/dbraw/zinc/95/44/37/951954437.db2.gz	ZHAJKMNDJJULNQ-ZWKOTPCHSA-N	1	0	364.453	1.389	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H](Cc1cccc(C#N)c1)C(=O)N[C@H]1CC[NH2+]C1	ZINC001146484080	952091105	/nfs/dbraw/zinc/09/11/05/952091105.db2.gz	SYDSOTGWHCDLQN-HOTGVXAUSA-N	1	0	358.442	1.472	20	30		FDEDRO
C[NH+](C)CCOCC(=O)NC[C@H]1CC[C@@H](Nc2ncc(C#N)cc2F)C1	ZINC001091593554	952185349	/nfs/dbraw/zinc/18/53/49/952185349.db2.gz	KIARDCSONUVSHX-DZGCQCFKSA-N	1	0	363.437	1.367	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)Cc4cccnc4)C[C@]3(C)C2)C1=O	ZINC001091600570	952217418	/nfs/dbraw/zinc/21/74/18/952217418.db2.gz	WXDLVEKFZRIBNO-LQWHRVPQSA-N	1	0	368.481	1.191	20	30		FDEDRO
C[C@]12CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]1C[N@H+](C[C@@H]1CCc3ncnn31)C2	ZINC001091605628	952235350	/nfs/dbraw/zinc/23/53/50/952235350.db2.gz	ZUXZUNRCQFYTDT-WTANOLMUSA-N	1	0	365.441	1.059	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)NC[C@H]1CC[C@@H](Nc2ccncc2C#N)C1	ZINC001091609513	952275325	/nfs/dbraw/zinc/27/53/25/952275325.db2.gz	QLDOJCBTRRLHOU-USXIJHARSA-N	1	0	361.465	1.752	20	30		FDEDRO
Cc1cc(C)n(CC[N@@H+]2C[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@]3(C)C2)n1	ZINC001091613314	952306281	/nfs/dbraw/zinc/30/62/81/952306281.db2.gz	SKSRXECCWCEBJO-XLIONFOSSA-N	1	0	366.469	1.794	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4coc(C)c4)C[C@]3(C)C2)C1=O	ZINC001091623749	952331593	/nfs/dbraw/zinc/33/15/93/952331593.db2.gz	SCFDZECGBCUWQK-UWVAXJGDSA-N	1	0	357.454	1.769	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C(F)(F)F)c2C)C1	ZINC001196631602	971824333	/nfs/dbraw/zinc/82/43/33/971824333.db2.gz	JZWMGAMJUYTYRR-MVWJERBFSA-N	1	0	360.380	1.867	20	30		FDEDRO
CC(C)(C(=O)NC[C@H]1CC[C@@H](Nc2cnc(C#N)cn2)C1)[NH+]1CCCC1	ZINC001091622964	952345783	/nfs/dbraw/zinc/34/57/83/952345783.db2.gz	ZVUMKQHVARLFSG-LSDHHAIUSA-N	1	0	356.474	1.919	20	30		FDEDRO
Cn1nccc1CC(=O)N1C[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@@]2(C)C1	ZINC001091630211	952392619	/nfs/dbraw/zinc/39/26/19/952392619.db2.gz	ZPBBHAQWSNOYJG-NQIIRXRSSA-N	1	0	363.465	1.815	20	30		FDEDRO
Cn1nncc1C(=O)N1C[C@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@@]2(C)C1	ZINC001091640573	952438066	/nfs/dbraw/zinc/43/80/66/952438066.db2.gz	VUACSTFDVKJWTA-UZLBHIALSA-N	1	0	367.428	1.400	20	30		FDEDRO
C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1C[N@H+](C[C@H](O)Cc1ccccc1)C2	ZINC001091660022	952520491	/nfs/dbraw/zinc/52/04/91/952520491.db2.gz	ZUSSYZVOZPMSCJ-SJBKTWHCSA-N	1	0	352.478	1.784	20	30		FDEDRO
C=C[C@@H]1C[C@@]1(NC(=O)c1ccc(CC[NH+]2CCCC2)nc1)C(=O)OCC	ZINC001147976561	952581856	/nfs/dbraw/zinc/58/18/56/952581856.db2.gz	XKUSYCUBZIMVSY-UZLBHIALSA-N	1	0	357.454	1.958	20	30		FDEDRO
C[NH+]1CCC(O)(CNC(=O)CCCC(=O)Nc2ccccc2C#N)CC1	ZINC001147978896	952582862	/nfs/dbraw/zinc/58/28/62/952582862.db2.gz	ZMVGQGWVHMXLMG-UHFFFAOYSA-N	1	0	358.442	1.240	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(NC(N)=O)CCCCC2)C1	ZINC001196659993	971846591	/nfs/dbraw/zinc/84/65/91/971846591.db2.gz	QKFDRHHZHUCRKT-HZPDHXFCSA-N	1	0	366.506	1.265	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3coc(S(C)(=O)=O)c3)C[C@]2(C)C1	ZINC001091687176	952642153	/nfs/dbraw/zinc/64/21/53/952642153.db2.gz	RXQGEQWFODTHTQ-PBHICJAKSA-N	1	0	350.440	1.100	20	30		FDEDRO
C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1CCCNc1ccnc(C#N)n1	ZINC001091704502	952682413	/nfs/dbraw/zinc/68/24/13/952682413.db2.gz	CLKSSMXTQRWBSC-IAGOWNOFSA-N	1	0	370.501	1.685	20	30		FDEDRO
C[C@@H]1CCCN(C(=O)Cn2ccnc2)[C@@H]1CCCNc1ccnc(C#N)n1	ZINC001091704577	952682551	/nfs/dbraw/zinc/68/25/51/952682551.db2.gz	ILOYHVZRCGQOGP-HZPDHXFCSA-N	1	0	367.457	1.486	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cnc4cc[nH]cc-4c3=O)C[C@]2(C)C1	ZINC001091708939	952697049	/nfs/dbraw/zinc/69/70/49/952697049.db2.gz	UUQWPELPYRMSBY-VLIAUNLRSA-N	1	0	350.422	1.340	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(N3CCCC3)n2)C1	ZINC001196675558	971862269	/nfs/dbraw/zinc/86/22/69/971862269.db2.gz	KVWCMSRZKXYOHH-DJIMGWMZSA-N	1	0	359.474	1.206	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccn(CC(C)C)c2=O)C1	ZINC001196677531	971864229	/nfs/dbraw/zinc/86/42/29/971864229.db2.gz	ZWFDJMWBQRGCQC-KBAYOESNSA-N	1	0	361.486	1.634	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CNC(=O)c4ccccc43)C[C@]2(C)C1	ZINC001091746427	952786622	/nfs/dbraw/zinc/78/66/22/952786622.db2.gz	NJLOJCRKOZOIJX-FPDPHYFHSA-N	1	0	351.450	1.317	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cccnc3C)C[C@@]2(C)C1	ZINC001091748639	952794557	/nfs/dbraw/zinc/79/45/57/952794557.db2.gz	RACWVTJXVYMGNO-URVUXULASA-N	1	0	366.509	1.768	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@@]2(C)C1	ZINC001091751853	952802363	/nfs/dbraw/zinc/80/23/63/952802363.db2.gz	NQRDAGIZOBZXPE-FCBIJRMHSA-N	1	0	369.465	1.642	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@]2(C)C1	ZINC001091752010	952802915	/nfs/dbraw/zinc/80/29/15/952802915.db2.gz	QOQPGTAZRFBBDJ-FCBIJRMHSA-N	1	0	369.465	1.642	20	30		FDEDRO
C=C(C)C(=O)NCCCNC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1	ZINC001149011055	952836638	/nfs/dbraw/zinc/83/66/38/952836638.db2.gz	RNTFHSUAZMNORE-UHFFFAOYSA-N	1	0	358.486	1.641	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)Cc2cccc(C)c2)C1	ZINC001196709483	971873462	/nfs/dbraw/zinc/87/34/62/971873462.db2.gz	BGSVDUJPJIWUBI-XUVXKRRUSA-N	1	0	360.498	1.928	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H]3CCN(C(C)C)C3=O)C2)nc1	ZINC001086857240	952903748	/nfs/dbraw/zinc/90/37/48/952903748.db2.gz	RQXUJSKJKBKUIB-YQVWRLOYSA-N	1	0	368.481	1.560	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nn(CC)nc3C)C2)nc1	ZINC001086856962	952903892	/nfs/dbraw/zinc/90/38/92/952903892.db2.gz	CYFLABHSQBKNMZ-DLBZAZTESA-N	1	0	366.469	1.671	20	30		FDEDRO
Cn1nc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)ccc1=O	ZINC001086870663	952918477	/nfs/dbraw/zinc/91/84/77/952918477.db2.gz	QHYINUZNTCNDFL-WMLDXEAASA-N	1	0	365.437	1.340	20	30		FDEDRO
CO[C@H](C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001086969350	952969254	/nfs/dbraw/zinc/96/92/54/952969254.db2.gz	OJZLWNYIUSSRHH-MDASCCDHSA-N	1	0	367.453	1.411	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)/C(C)=C/C)C[C@H]2c2cnn(C)c2)C1=O	ZINC001086974088	952981411	/nfs/dbraw/zinc/98/14/11/952981411.db2.gz	VCBWHOUVKFPPTM-VQICVPEMSA-N	1	0	371.485	1.057	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2[NH2+]CC[C@H]2CCCCO2)cn1	ZINC001086978144	952989614	/nfs/dbraw/zinc/98/96/14/952989614.db2.gz	GQUGSFGIIMPWOO-HSALFYBXSA-N	1	0	370.497	1.677	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]nc3c2CCCC3)C[C@H]1c1cnn(C)c1	ZINC001086979404	952992632	/nfs/dbraw/zinc/99/26/32/952992632.db2.gz	YNTNNBRLYUORSC-QFBILLFUSA-N	1	0	368.485	1.335	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2Cc3ccccc3O2)C[C@H]1c1cnn(C)c1	ZINC001086979535	952993069	/nfs/dbraw/zinc/99/30/69/952993069.db2.gz	FQSZVAUNUDNWFR-CEXWTWQISA-N	1	0	364.449	1.331	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C[C@H]2NCC#N)cn1	ZINC001086982721	952995681	/nfs/dbraw/zinc/99/56/81/952995681.db2.gz	ZVWJOPBLIUBZPZ-IPMKNSEASA-N	1	0	370.501	1.235	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](NCC#N)C1	ZINC001086982692	952995866	/nfs/dbraw/zinc/99/58/66/952995866.db2.gz	YDMFDRMUCNVIFT-FGTMMUONSA-N	1	0	358.490	1.091	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc3cccn3cn2)C[C@H]1c1cnn(C)c1	ZINC001086983873	952997896	/nfs/dbraw/zinc/99/78/96/952997896.db2.gz	MMJOWRWSTCMTET-FUHWJXTLSA-N	1	0	350.426	1.452	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cc(C)ccn2)C[C@H]1c1cnn(C)c1	ZINC001086984371	952998742	/nfs/dbraw/zinc/99/87/42/952998742.db2.gz	MFOGTDQBEXRAPA-ZWKOTPCHSA-N	1	0	365.481	1.619	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cnn(CCF)c2)C[C@H]1c1cnn(C)c1	ZINC001086985629	953003209	/nfs/dbraw/zinc/00/32/09/953003209.db2.gz	VQQWRDHLERNZHM-DLBZAZTESA-N	1	0	360.437	1.360	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)(C)C)n[nH]2)C[C@H]1c1cnn(C)c1	ZINC001086986001	953004813	/nfs/dbraw/zinc/00/48/13/953004813.db2.gz	PWGHXOBIMOVHHF-GOEBONIOSA-N	1	0	354.458	1.272	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn3ccc(C)cc3n2)C[C@H]1c1cnn(C)c1	ZINC001086986568	953006703	/nfs/dbraw/zinc/00/67/03/953006703.db2.gz	WFXRVWLQCFNHGQ-DLBZAZTESA-N	1	0	362.437	1.207	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2nc(C)c(C)nc2C)C[C@H]1c1cnn(C)c1	ZINC001086987060	953008749	/nfs/dbraw/zinc/00/87/49/953008749.db2.gz	XPTJPZFMXAPXTD-DLBZAZTESA-N	1	0	354.458	1.519	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2ccc(=O)[nH]c2)C[C@H]1c1cnn(C)c1	ZINC001086987636	953010627	/nfs/dbraw/zinc/01/06/27/953010627.db2.gz	FAPZCUOPCFZIIE-DLBZAZTESA-N	1	0	355.442	1.224	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)[C@@H](C)CO3)C[C@H]1c1cnn(C)c1	ZINC001086992751	953024436	/nfs/dbraw/zinc/02/44/36/953024436.db2.gz	NWSJVEJGGDBNAX-ZOCIIQOWSA-N	1	0	364.449	1.747	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3nn[nH]c32)C[C@H]1c1cnn(C)c1	ZINC001086993677	953027444	/nfs/dbraw/zinc/02/74/44/953027444.db2.gz	LTADULGGINHBEZ-YQQAZPJKSA-N	1	0	369.473	1.118	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3nn(C)cc32)C[C@H]1c1cnn(C)c1	ZINC001086993787	953028267	/nfs/dbraw/zinc/02/82/67/953028267.db2.gz	RQQBWENGSNGYHV-TXPKVOOTSA-N	1	0	368.485	1.344	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc3cc(C)ccn32)C[C@H]1c1cnn(C)c1	ZINC001086980641	953030567	/nfs/dbraw/zinc/03/05/67/953030567.db2.gz	MUHMGVYDVPLUOK-DLBZAZTESA-N	1	0	362.437	1.207	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc3c2OCCO3)C[C@H]1c1cnn(C)c1	ZINC001086981414	953032446	/nfs/dbraw/zinc/03/24/46/953032446.db2.gz	IAALBSLUEPEKMU-DLBZAZTESA-N	1	0	366.421	1.022	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)n(C)n2)C[C@H]1c1cnn(C)c1	ZINC001086981428	953032849	/nfs/dbraw/zinc/03/28/49/953032849.db2.gz	IRIQJYIJCGVCHT-FUHWJXTLSA-N	1	0	368.485	1.805	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn3cc(C)nc3s2)C[C@H]1c1cnn(C)c1	ZINC001086982185	953035022	/nfs/dbraw/zinc/03/50/22/953035022.db2.gz	XUBOVQIKEJHQGS-LSDHHAIUSA-N	1	0	368.466	1.269	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)CCO3)C[C@H]1c1cnn(C)c1	ZINC001086998406	953042699	/nfs/dbraw/zinc/04/26/99/953042699.db2.gz	JKGGHASPLAEGAY-ZWKOTPCHSA-N	1	0	352.438	1.739	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC2CC2)C1	ZINC001087001068	953054133	/nfs/dbraw/zinc/05/41/33/953054133.db2.gz	AWNCJKZCKKXRSK-OKYOBFRVSA-N	1	0	358.486	1.695	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)COC3)C[C@H]1c1cnn(C)c1	ZINC001087001062	953054140	/nfs/dbraw/zinc/05/41/40/953054140.db2.gz	AOCAXCOWURQSNI-RBUKOAKNSA-N	1	0	350.422	1.281	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc(OC)c2F)C[C@H]1c1cnn(C)c1	ZINC001087003210	953059020	/nfs/dbraw/zinc/05/90/20/953059020.db2.gz	KGZDTOJIAJCMTO-JKSUJKDBSA-N	1	0	356.401	1.399	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3nc[nH]c3C2)C[C@H]1c1cnn(C)c1	ZINC001087004915	953063144	/nfs/dbraw/zinc/06/31/44/953063144.db2.gz	CNWJXSXTEZISJZ-SIXWZSSISA-N	1	0	368.485	1.408	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c3ccccc3nn2C)C[C@H]1c1cnn(C)c1	ZINC001087004766	953063252	/nfs/dbraw/zinc/06/32/52/953063252.db2.gz	SPFYYKLKXZUSKO-FUHWJXTLSA-N	1	0	364.453	1.691	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC3CCC3)C2)nc1	ZINC001087006386	953089944	/nfs/dbraw/zinc/08/99/44/953089944.db2.gz	YISXUJFARJYIDO-AZUAARDMSA-N	1	0	363.465	1.794	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc(C3CC3)s2)C[C@H]1c1cnn(C)c1	ZINC001087006338	953090103	/nfs/dbraw/zinc/09/01/03/953090103.db2.gz	WCVJMDIOGMFLOA-LSDHHAIUSA-N	1	0	355.467	1.585	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccccc2OC)C[C@H]1c1cnn(C)c1	ZINC001087008648	953095978	/nfs/dbraw/zinc/09/59/78/953095978.db2.gz	QSAAJHOAUAZMLU-ZWKOTPCHSA-N	1	0	352.438	1.189	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2ccccc2F)C[C@H]1c1cnn(C)c1	ZINC001087009030	953096876	/nfs/dbraw/zinc/09/68/76/953096876.db2.gz	LCQGMKRIVRRYKT-PKOBYXMFSA-N	1	0	354.429	1.709	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)COc2ccc(F)cc2)C[C@H]1c1cnn(C)c1	ZINC001087009269	953097845	/nfs/dbraw/zinc/09/78/45/953097845.db2.gz	YVZPZCQTCDKQGE-ZWKOTPCHSA-N	1	0	358.417	1.708	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)OC)C[C@H]1c1cnn(C)c1	ZINC001087009996	953099822	/nfs/dbraw/zinc/09/98/22/953099822.db2.gz	HKHCLYFRWNDNIJ-XUVXKRRUSA-N	1	0	368.481	1.748	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2csc(CC)n2)C[C@H]1c1cnn(C)c1	ZINC001087010451	953101361	/nfs/dbraw/zinc/10/13/61/953101361.db2.gz	BDZPSQUWXDCUEO-JKSUJKDBSA-N	1	0	357.483	1.199	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](F)Cc2ccccc2)C[C@H]1c1cnn(C)c1	ZINC001087010860	953102209	/nfs/dbraw/zinc/10/22/09/953102209.db2.gz	VCVBFMSNMILYBV-IPMKNSEASA-N	1	0	354.429	1.518	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1cc2n(n1)CCCC2	ZINC001087035839	953146454	/nfs/dbraw/zinc/14/64/54/953146454.db2.gz	OGBNJTLEOPNJCY-HDMKZQKVSA-N	1	0	359.474	1.332	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C[C@@H]2CCOC2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087037575	953150348	/nfs/dbraw/zinc/15/03/48/953150348.db2.gz	SKRMONPIKPCETG-PWIZWCRZSA-N	1	0	371.481	1.938	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1cscn1	ZINC001087040064	953156821	/nfs/dbraw/zinc/15/68/21/953156821.db2.gz	PVYBECNHGNHYSQ-CZUORRHYSA-N	1	0	359.455	1.610	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cocn2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001087034357	953171771	/nfs/dbraw/zinc/17/17/71/953171771.db2.gz	BKNQFBXDSTYNOQ-MLGOLLRUSA-N	1	0	360.439	1.875	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1nnc(C)n1C1CC1	ZINC001087053037	953184775	/nfs/dbraw/zinc/18/47/75/953184775.db2.gz	WQIXYSHYBMIDSF-SJLPKXTDSA-N	1	0	371.485	1.288	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1nocc1C	ZINC001087046026	953193441	/nfs/dbraw/zinc/19/34/41/953193441.db2.gz	FYYBUAFNVCQHEV-CXAGYDPISA-N	1	0	357.414	1.450	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C2=CCOCC2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087047336	953196356	/nfs/dbraw/zinc/19/63/56/953196356.db2.gz	DMTJGFCRNXFNMI-WOJBJXKFSA-N	1	0	369.465	1.858	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nonc3C)[C@H](OCC)C2)nc1	ZINC001087097218	953284123	/nfs/dbraw/zinc/28/41/23/953284123.db2.gz	CJLOOFHTLWMFCE-CRAIPNDOSA-N	1	0	369.425	1.021	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)C3CC4(C3)CS(=O)(=O)C4)C[C@]2(C)C1	ZINC001091784052	953301275	/nfs/dbraw/zinc/30/12/75/953301275.db2.gz	NUNNBJSGFAZESN-WBVHZDCISA-N	1	0	352.500	1.168	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@]2(C)C1	ZINC001091793361	953316964	/nfs/dbraw/zinc/31/69/64/953316964.db2.gz	GPWSUYRQLYCOPH-IERDGZPVSA-N	1	0	371.481	1.734	20	30		FDEDRO
C[C@]12CN(C(=O)c3cn[nH]n3)C[C@H]1C[N@H+](Cc1ccc(F)c(C#N)c1)C2	ZINC001091810342	953343989	/nfs/dbraw/zinc/34/39/89/953343989.db2.gz	RSZHEKZDYRAZHS-KDOFPFPSSA-N	1	0	354.389	1.410	20	30		FDEDRO
C[C@]12CN(C(=O)c3cn[nH]n3)C[C@H]1C[N@H+](Cc1ccc(OCC#N)cc1)C2	ZINC001091810252	953344042	/nfs/dbraw/zinc/34/40/42/953344042.db2.gz	NSLGPOBKKSXMBK-BEFAXECRSA-N	1	0	366.425	1.301	20	30		FDEDRO
N#Cc1cncc(N2CC[C@@H]3CN(C(=O)CCC[NH+]4CCCC4)C[C@@H]3C2)n1	ZINC001091855373	953553781	/nfs/dbraw/zinc/55/37/81/953553781.db2.gz	WMINVOVCASIKTD-SJORKVTESA-N	1	0	368.485	1.509	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(c3nc(C)ccc3C#N)C[C@H]2C1	ZINC001091860185	953584169	/nfs/dbraw/zinc/58/41/69/953584169.db2.gz	JQOWZQQRNSIMEB-MSOLQXFVSA-N	1	0	355.486	1.888	20	30		FDEDRO
Cc1cc(N2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@@H]3C2)c(C#N)cn1	ZINC001091868300	953618757	/nfs/dbraw/zinc/61/87/57/953618757.db2.gz	NFRHYJWCDXSOTD-AEFFLSMTSA-N	1	0	355.486	1.888	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)C3CCN(C(=O)C(C)C)CC3)C[C@]2(C)C1	ZINC001091902740	953661035	/nfs/dbraw/zinc/66/10/35/953661035.db2.gz	DWBNFSSVPNNTDP-NQIIRXRSSA-N	1	0	359.514	1.685	20	30		FDEDRO
Cc1n[nH]nc1C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@@]2(C)C1	ZINC001091906467	953681004	/nfs/dbraw/zinc/68/10/04/953681004.db2.gz	TWKRJLQUPOEGAC-BEFAXECRSA-N	1	0	368.416	1.718	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1	ZINC001091910729	953697149	/nfs/dbraw/zinc/69/71/49/953697149.db2.gz	FTISUVGJJQLHIW-QRWLVFNGSA-N	1	0	361.486	1.518	20	30		FDEDRO
CN1C(=O)CC[C@@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@]2(C)C1	ZINC001091945036	953807269	/nfs/dbraw/zinc/80/72/69/953807269.db2.gz	IXDHZQMFVHGSMX-OPYAIIAOSA-N	1	0	366.465	1.459	20	30		FDEDRO
CN1C(=O)CC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@@]2(C)C1	ZINC001091945378	953808460	/nfs/dbraw/zinc/80/84/60/953808460.db2.gz	UOMHGDNBQYAXNR-KNKQGSTJSA-N	1	0	365.477	1.439	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3C[N@H+](C[C@H]4CCc5ncnn54)C[C@@]3(C)C2)C1	ZINC001091995882	953911293	/nfs/dbraw/zinc/91/12/93/953911293.db2.gz	LPFFVIQNCMXRLQ-QINHECLXSA-N	1	0	355.486	1.902	20	30		FDEDRO
CC[NH+](CC)[C@@H](C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)[C@@H]1C)C(C)C	ZINC001091998673	953921655	/nfs/dbraw/zinc/92/16/55/953921655.db2.gz	XYRBHKWLKBSSPD-UWWQBHOKSA-N	1	0	358.490	1.798	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)[C@@H]1C)[NH+]1CCCC1	ZINC001091979547	953976436	/nfs/dbraw/zinc/97/64/36/953976436.db2.gz	JMEKNDHVYXIZLF-UWWQBHOKSA-N	1	0	356.474	1.552	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)[C@@H]1C)[NH+]1CCCC1	ZINC001091979761	953977362	/nfs/dbraw/zinc/97/73/62/953977362.db2.gz	RTQPOHVLGVOGRO-VKJFTORMSA-N	1	0	356.474	1.552	20	30		FDEDRO
C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)c3c[nH]c(=O)cc3OC)C[C@]2(C)C1	ZINC001092023197	954099713	/nfs/dbraw/zinc/09/97/13/954099713.db2.gz	SDIGYOUMAOEOLB-PXAZEXFGSA-N	1	0	351.834	1.942	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CCN1c1cnc(C#N)cn1	ZINC001092030948	954132416	/nfs/dbraw/zinc/13/24/16/954132416.db2.gz	BIKJKSAQEDHVOP-ZBFHGGJFSA-N	1	0	356.474	1.696	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@H]3C[N@H+](C[C@@H]4CCOC4)C[C@@]3(C)C2)nn1	ZINC001092085028	954234820	/nfs/dbraw/zinc/23/48/20/954234820.db2.gz	AELCBRLSVLIDHJ-FCEWJHQRSA-N	1	0	359.474	1.285	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cnn(-c4nccs4)c3)C[C@]2(C)C1	ZINC001092188740	954490546	/nfs/dbraw/zinc/49/05/46/954490546.db2.gz	TWQOWJBMUONBTP-QAPCUYQASA-N	1	0	355.467	1.746	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc(C(=O)N(C)C)cc3)C[C@]2(C)C1	ZINC001092208003	954610739	/nfs/dbraw/zinc/61/07/39/954610739.db2.gz	UTWRQEHITOLHON-NQIIRXRSSA-N	1	0	353.466	1.806	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cccc(-n4cnnn4)c3)C[C@]2(C)C1	ZINC001092267428	954638257	/nfs/dbraw/zinc/63/82/57/954638257.db2.gz	ZJYMZPSLKMFZCY-APWZRJJASA-N	1	0	350.426	1.080	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2cccnc2)C1	ZINC001197000793	972032798	/nfs/dbraw/zinc/03/27/98/972032798.db2.gz	KFCFVHRWQGXRFC-IAOVAPTHSA-N	1	0	355.442	1.601	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3nc4nc(C)cc(C)n4n3)C[C@]2(C)C1	ZINC001092249213	954704993	/nfs/dbraw/zinc/70/49/93/954704993.db2.gz	IBXRJWOCMGVYHT-BEFAXECRSA-N	1	0	352.442	1.158	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N2C[C@H]3CN(c4ncc(C#N)cc4F)C[C@@]3(C)C2)CC1	ZINC001092303771	954762942	/nfs/dbraw/zinc/76/29/42/954762942.db2.gz	NZQCKHVAYYXZKP-BEFAXECRSA-N	1	0	371.460	1.719	20	30		FDEDRO
C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccnn1C)c1nccn12	ZINC001092383696	954981300	/nfs/dbraw/zinc/98/13/00/954981300.db2.gz	LILHQKBFYHQBAN-OAGGEKHMSA-N	1	0	366.469	1.568	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C2)n1	ZINC001092389441	954989498	/nfs/dbraw/zinc/98/94/98/954989498.db2.gz	KJQBCJCMZGXMSA-FRFSOERESA-N	1	0	358.490	1.431	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1	ZINC001092428902	955075162	/nfs/dbraw/zinc/07/51/62/955075162.db2.gz	XYTFEUKHVZWCBI-HUUCEWRRSA-N	1	0	356.474	1.411	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1	ZINC001092408700	955135410	/nfs/dbraw/zinc/13/54/10/955135410.db2.gz	WVPDFRRLSVKQTE-HZPDHXFCSA-N	1	0	370.501	1.801	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1C	ZINC001092411947	955140525	/nfs/dbraw/zinc/14/05/25/955140525.db2.gz	VZALBETZEHASIF-IIDMSEBBSA-N	1	0	361.465	1.822	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](CNC(=O)CC[C@@H]3CCC[N@@H+]3C)[C@H](C)C2)n1	ZINC001092460587	955185006	/nfs/dbraw/zinc/18/50/06/955185006.db2.gz	SLGPPDPKWRBDIX-KYJSFNMBSA-N	1	0	370.501	1.720	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)c1cnsn1	ZINC001092475892	955220838	/nfs/dbraw/zinc/22/08/38/955220838.db2.gz	CISXUKYVADVZIQ-UKRRQHHQSA-N	1	0	371.466	1.938	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CNC(=O)c2ccnn2C)[C@H](C)C1	ZINC001092499038	955265772	/nfs/dbraw/zinc/26/57/72/955265772.db2.gz	IQIUEWPKFHJIFI-RHSMWYFYSA-N	1	0	367.453	1.798	20	30		FDEDRO
C[C@@H]1CN(c2ncccc2C#N)C[C@H]1CCNC(=O)[C@H](C1CC1)[NH+](C)C	ZINC001092550226	955397237	/nfs/dbraw/zinc/39/72/37/955397237.db2.gz	NPYPNAQBGBWHLM-OLMNPRSZSA-N	1	0	355.486	1.872	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001092551592	955404100	/nfs/dbraw/zinc/40/41/00/955404100.db2.gz	NICYOEAKTQJWMJ-LZQZEXGQSA-N	1	0	367.497	1.874	20	30		FDEDRO
C[C@@H]1C[N@@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC001092553793	955418370	/nfs/dbraw/zinc/41/83/70/955418370.db2.gz	VFJHEEUYXRYRGJ-UNEWFSDZSA-N	1	0	371.485	1.583	20	30		FDEDRO
C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)[C@H](C)C1	ZINC001092555697	955429807	/nfs/dbraw/zinc/42/98/07/955429807.db2.gz	UQROWRSIHUIYDH-BFYDXBDKSA-N	1	0	371.485	1.585	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)NCC[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C	ZINC001092558139	955442420	/nfs/dbraw/zinc/44/24/20/955442420.db2.gz	GPIIPYLOXWMFFP-HUUCEWRRSA-N	1	0	358.490	1.657	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)c1cncnc1	ZINC001092560165	955452156	/nfs/dbraw/zinc/45/21/56/955452156.db2.gz	JOEORRNKTZXGNO-CXAGYDPISA-N	1	0	353.401	1.985	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CCNC(=O)C(C)(C)[NH+]1CCCC1	ZINC001092563023	955465204	/nfs/dbraw/zinc/46/52/04/955465204.db2.gz	BSAVJRJZMXHHEC-HZPDHXFCSA-N	1	0	370.501	1.801	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@@H](C)[C@H](CCNC(=O)C34CC[NH+](CC3)C4)C2)n1	ZINC001092531490	955491197	/nfs/dbraw/zinc/49/11/97/955491197.db2.gz	HTUCADRBPCYQEK-CRAIPNDOSA-N	1	0	367.497	1.936	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1CCNC(=O)C12CC[NH+](CC1)C2	ZINC001092531460	955491290	/nfs/dbraw/zinc/49/12/90/955491290.db2.gz	GPMKBGXYXXUPMO-HZPDHXFCSA-N	1	0	353.470	1.628	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC001092531618	955492272	/nfs/dbraw/zinc/49/22/72/955492272.db2.gz	DLKZQCYNEOJAGH-IJEWVQPXSA-N	1	0	357.458	1.100	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC001092531617	955492680	/nfs/dbraw/zinc/49/26/80/955492680.db2.gz	DLKZQCYNEOJAGH-IIAWOOMASA-N	1	0	357.458	1.100	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1	ZINC001092532736	955500457	/nfs/dbraw/zinc/50/04/57/955500457.db2.gz	QBDVYNJFTANKIQ-GDBMZVCRSA-N	1	0	356.474	1.269	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3cncc(F)c3)[C@H](C)C2)C1=O	ZINC001092542820	955544915	/nfs/dbraw/zinc/54/49/15/955544915.db2.gz	OXZJZPNPJJUUKR-FRFSOERESA-N	1	0	360.433	1.305	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CCNC(=O)C[N@@H+]1CCC(C)(C)C1	ZINC001092585698	955549999	/nfs/dbraw/zinc/54/99/99/955549999.db2.gz	NQGGIGVOJKIQIN-HZPDHXFCSA-N	1	0	370.501	1.659	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)[C@H](C)C1	ZINC001092606899	955650446	/nfs/dbraw/zinc/65/04/46/955650446.db2.gz	CJWRUDFAGDOUFO-OWCLPIDISA-N	1	0	359.474	1.413	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CCNC(=O)C1(C[NH+](C)C)CC1	ZINC001092574579	955694627	/nfs/dbraw/zinc/69/46/27/955694627.db2.gz	OTDPVQGSDIDCSE-HUUCEWRRSA-N	1	0	356.474	1.269	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](CCNC(=O)C3(C[NH+](C)C)CC3)C2)n1	ZINC001092574756	955694644	/nfs/dbraw/zinc/69/46/44/955694644.db2.gz	ZGZIOYVOPKJOQQ-GDBMZVCRSA-N	1	0	370.501	1.577	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]3CCC[C@@H]3C)C2)n1	ZINC001092583991	955729992	/nfs/dbraw/zinc/72/99/92/955729992.db2.gz	BQOWAUJJUCBHMB-HYVNUMGLSA-N	1	0	370.501	1.720	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC(=O)NC2CCCC2)C1	ZINC001197155694	972124002	/nfs/dbraw/zinc/12/40/02/972124002.db2.gz	NFBSHVZOWDFIFC-QZTJIDSGSA-N	1	0	367.534	1.957	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](CNc2cnc(C#N)cn2)[C@H](C)C1	ZINC001092662467	955939248	/nfs/dbraw/zinc/93/92/48/955939248.db2.gz	QPQMAOXALKMINP-IIAWOOMASA-N	1	0	362.453	1.535	20	30		FDEDRO
Cc1cc(NC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C)c(C#N)cn1	ZINC001092671181	955970845	/nfs/dbraw/zinc/97/08/45/955970845.db2.gz	VEPVBSSXXZKDRN-RHSMWYFYSA-N	1	0	355.486	1.532	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1CNc1cncc(C#N)n1	ZINC001092675104	955983519	/nfs/dbraw/zinc/98/35/19/955983519.db2.gz	UFZIVPJLCSXOHT-HUUCEWRRSA-N	1	0	358.490	1.833	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@H]1CCCNC1=O	ZINC001092699742	956083660	/nfs/dbraw/zinc/08/36/60/956083660.db2.gz	QTHWMYGQCBRVKA-OLMNPRSZSA-N	1	0	354.454	1.269	20	30		FDEDRO
C[NH+](C)CC1(C(=O)NC[C@]23CCC[C@H]2N(c2nccnc2C#N)CC3)CC1	ZINC001092710071	956138838	/nfs/dbraw/zinc/13/88/38/956138838.db2.gz	NFNUQQDDUBDIFX-VQIMIIECSA-N	1	0	368.485	1.555	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)NC[C@]23CCC[C@H]2N(c2nccnc2C#N)CC3)C1	ZINC001092714273	956159916	/nfs/dbraw/zinc/15/99/16/956159916.db2.gz	FDHZLLYOVCDBMX-WRWLIDTKSA-N	1	0	368.485	1.555	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cccc(OC)n2)C[C@H]1C	ZINC001092690048	956199329	/nfs/dbraw/zinc/19/93/29/956199329.db2.gz	YELWBOCFPCUJII-LMMKCTJWSA-N	1	0	370.497	1.372	20	30		FDEDRO
C=CCOc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@@H](CC)C(N)=O)C[C@H]2C)cc1	ZINC001092740115	956234623	/nfs/dbraw/zinc/23/46/23/956234623.db2.gz	IQVDKERVFCTCKZ-KYJSFNMBSA-N	1	0	359.470	1.813	20	30		FDEDRO
CCN1CCOC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C	ZINC001092754092	956280868	/nfs/dbraw/zinc/28/08/68/956280868.db2.gz	IFCJOOJAHKMAOW-NSISKUIASA-N	1	0	370.497	1.463	20	30		FDEDRO
Cc1cc(N2CCO[C@@](C)(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C#N)cn1	ZINC001092777694	956417421	/nfs/dbraw/zinc/41/74/21/956417421.db2.gz	SLSXELGQPPCLFY-MDYRTPRTSA-N	1	0	371.485	1.313	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)c1cn(C)ccc1=O	ZINC001092813308	956506554	/nfs/dbraw/zinc/50/65/54/956506554.db2.gz	KJUJPEBUOJGBJW-CRAIPNDOSA-N	1	0	364.449	1.755	20	30		FDEDRO
CC[NH+](CC)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1)C(C)C	ZINC001092866567	956583101	/nfs/dbraw/zinc/58/31/01/956583101.db2.gz	LPMNOUJSLOKGAB-DFEOGRTESA-N	1	0	370.501	1.941	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)c1coc(C(N)=O)c1	ZINC001092851159	956679934	/nfs/dbraw/zinc/67/99/34/956679934.db2.gz	UJZXLYATMWTNSV-CXAGYDPISA-N	1	0	366.421	1.748	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1CCNC(=O)CC1	ZINC001092855531	956699379	/nfs/dbraw/zinc/69/93/79/956699379.db2.gz	NSGBFIAQWHFACW-YZGWKJHDSA-N	1	0	367.493	1.639	20	30		FDEDRO
C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1)CC(C)(C)C	ZINC001092920735	956789064	/nfs/dbraw/zinc/78/90/64/956789064.db2.gz	NBKFEMVSMILOFW-PMPSAXMXSA-N	1	0	356.474	1.552	20	30		FDEDRO
C[NH+](C)C1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2C#N)CCCC1	ZINC001092898550	956831304	/nfs/dbraw/zinc/83/13/04/956831304.db2.gz	NFVGLKGILKBZHC-VYDXJSESSA-N	1	0	368.485	1.839	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CNC(=O)c2n[nH]cc2F)[C@H](C)C1	ZINC001092941833	956863474	/nfs/dbraw/zinc/86/34/74/956863474.db2.gz	YDCGPFZSRXOTCG-IUODEOHRSA-N	1	0	371.416	1.927	20	30		FDEDRO
C=CCOCC[N@@H+]1CCCN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)CC1	ZINC001197402461	972222687	/nfs/dbraw/zinc/22/26/87/972222687.db2.gz	CURNMVBIFKWPDW-QZTJIDSGSA-N	1	0	362.474	1.025	20	30		FDEDRO
CCc1nc(C#N)cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C3)n1	ZINC001092994694	957082496	/nfs/dbraw/zinc/08/24/96/957082496.db2.gz	SSWDKJKZONMSEZ-JEWRLFTDSA-N	1	0	370.501	1.723	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncc(C#N)cc1F)[NH+](C)C	ZINC001092995838	957087652	/nfs/dbraw/zinc/08/76/52/957087652.db2.gz	KDDAPZSQQXHWGI-SIXLDLHFSA-N	1	0	359.449	1.904	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C)cc(C#N)n1	ZINC001092996147	957088939	/nfs/dbraw/zinc/08/89/39/957088939.db2.gz	SIBYWGFTKOVTMU-ZACQAIPSSA-N	1	0	356.474	1.615	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)c2cn3nc(C)cc3[nH]c2=O)[C@H](C)C1	ZINC001093055574	957238512	/nfs/dbraw/zinc/23/85/12/957238512.db2.gz	PVEKANOLUXHBLC-UKRRQHHQSA-N	1	0	357.458	1.595	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2C)nn1	ZINC001093035155	957252280	/nfs/dbraw/zinc/25/22/80/957252280.db2.gz	PUHZPKZXAGPZCF-ZIAGYGMSSA-N	1	0	370.482	1.895	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2C)nn1	ZINC001093039901	957263681	/nfs/dbraw/zinc/26/36/81/957263681.db2.gz	BVRLCFSHIDANTD-HZPDHXFCSA-N	1	0	357.462	1.049	20	30		FDEDRO
N#Cc1nccnc1N1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1	ZINC001093087332	957279595	/nfs/dbraw/zinc/27/95/95/957279595.db2.gz	DDNRCGCPYWJPIC-JXFKEZNVSA-N	1	0	368.485	1.699	20	30		FDEDRO
CC[C@H](C(=O)N[C@]12CCC[C@H]1CN(c1cnc(C#N)cn1)C2)[NH+](CC)CC	ZINC001093103647	957443214	/nfs/dbraw/zinc/44/32/14/957443214.db2.gz	LKNQZHHRHFPQLG-VPWXQRGCSA-N	1	0	370.501	1.944	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1CN(c1ccnc(C#N)n1)C2	ZINC001093090515	957526749	/nfs/dbraw/zinc/52/67/49/957526749.db2.gz	IGMVVJFFKVNKFO-KXBFYZLASA-N	1	0	356.474	1.555	20	30		FDEDRO
C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1CN(c1ccncc1C#N)C2	ZINC001093092469	957541446	/nfs/dbraw/zinc/54/14/46/957541446.db2.gz	NMAIPTXAMCXVDP-LPHOPBHVSA-N	1	0	357.458	1.007	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCn3nc(C)nc3C)C[C@H]2C)cn1	ZINC001093143269	957641152	/nfs/dbraw/zinc/64/11/52/957641152.db2.gz	XFLFUGAFHKZGLK-RDTXWAMCSA-N	1	0	366.469	1.269	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)c3cccn3CC)[C@H](C)C2)C1=O	ZINC001093199522	957772306	/nfs/dbraw/zinc/77/23/06/957772306.db2.gz	UIAVCHAHYZLSNA-JFIYKMOQSA-N	1	0	358.486	1.593	20	30		FDEDRO
CCN1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)C1	ZINC001093215109	957835991	/nfs/dbraw/zinc/83/59/91/957835991.db2.gz	UWFAKXHNHNVHTF-AHRSYUTCSA-N	1	0	370.497	1.463	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3nnc(C)n3C2)[C@H](C)C1	ZINC001093222196	957848144	/nfs/dbraw/zinc/84/81/44/957848144.db2.gz	JAKWCNRRHJMQMK-KCPJHIHWSA-N	1	0	351.882	1.586	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)c1cn(C)c(=O)n1C	ZINC001093232260	957873164	/nfs/dbraw/zinc/87/31/64/957873164.db2.gz	UPXWDNMMOOMELJ-RHSMWYFYSA-N	1	0	367.453	1.093	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3cccnc3)C[C@H]2C)C1=O	ZINC001093273061	957941945	/nfs/dbraw/zinc/94/19/45/957941945.db2.gz	YUSBQUCGORKWRK-NXHRZFHOSA-N	1	0	356.470	1.556	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3coc(C)n3)C[C@H]2C)C1=O	ZINC001093274474	957944717	/nfs/dbraw/zinc/94/47/17/957944717.db2.gz	PHFZHBYGZJOQRS-FVQBIDKESA-N	1	0	360.458	1.458	20	30		FDEDRO
CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)C1=O	ZINC001093274464	957944854	/nfs/dbraw/zinc/94/48/54/957944854.db2.gz	PCJMSXCCPBFUNZ-FVQBIDKESA-N	1	0	357.458	1.195	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3ncccc3C)C[C@H]2C)C1=O	ZINC001093274894	957946029	/nfs/dbraw/zinc/94/60/29/957946029.db2.gz	UEHITFAHSDMQFM-KZNAEPCWSA-N	1	0	370.497	1.865	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)C3(CF)CCC3)C[C@H]2C)C1=O	ZINC001093285726	957969391	/nfs/dbraw/zinc/96/93/91/957969391.db2.gz	UAIASYKQTUUBNX-ZACQAIPSSA-N	1	0	365.493	1.987	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)n(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093432735	958059313	/nfs/dbraw/zinc/05/93/13/958059313.db2.gz	FEUDISJUANIWLH-SOAMZJECSA-N	1	0	360.502	1.884	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nnn(C)c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093439847	958074898	/nfs/dbraw/zinc/07/48/98/958074898.db2.gz	QKGNNEVBTPIBCT-IIHSZXCVSA-N	1	0	361.490	1.279	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccnn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093443828	958086443	/nfs/dbraw/zinc/08/64/43/958086443.db2.gz	UWUXRAFPUJOJGE-LFGUQSLTSA-N	1	0	360.502	1.505	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccn(CC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093446645	958095232	/nfs/dbraw/zinc/09/52/32/958095232.db2.gz	JGYUPGRZPYYDRX-LFGUQSLTSA-N	1	0	358.486	1.045	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3nnc(C)[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093446766	958096787	/nfs/dbraw/zinc/09/67/87/958096787.db2.gz	LUGVLTUQIYQFGI-LTDCPUDJSA-N	1	0	361.490	1.198	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(OC)ns3)[C@H]2C(C)C)C[C@H]1O	ZINC001093446724	958096919	/nfs/dbraw/zinc/09/69/19/958096919.db2.gz	LCBPTFVGQYXNEL-MHRLRVJTSA-N	1	0	365.499	1.917	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc4cccn4cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093448822	958111733	/nfs/dbraw/zinc/11/17/33/958111733.db2.gz	CXCISWROQUQPJQ-BNDYYXHWSA-N	1	0	366.465	1.547	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@H]1C(C)C	ZINC001093448934	958112095	/nfs/dbraw/zinc/11/20/95/958112095.db2.gz	DFXXOIGISWGJLW-UIXUWTQFSA-N	1	0	361.486	1.246	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc4c[nH]ccc-4n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093449435	958116394	/nfs/dbraw/zinc/11/63/94/958116394.db2.gz	GWYKGFJJSWTTIG-BNDYYXHWSA-N	1	0	366.465	1.776	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnc4[nH]cnc43)[C@H]2C(C)C)C[C@H]1O	ZINC001093449850	958119358	/nfs/dbraw/zinc/11/93/58/958119358.db2.gz	QVEZNSZQKYIUPZ-RNKNFESXSA-N	1	0	367.453	1.171	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnc4[nH]cnc43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093449847	958119711	/nfs/dbraw/zinc/11/97/11/958119711.db2.gz	QVEZNSZQKYIUPZ-MXHNKVEKSA-N	1	0	367.453	1.171	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3nc(CC)c[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093451004	958129687	/nfs/dbraw/zinc/12/96/87/958129687.db2.gz	QBYFTTAOLMWGQR-XNFNUYLZSA-N	1	0	358.486	1.114	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(OCC)no3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093460086	958187964	/nfs/dbraw/zinc/18/79/64/958187964.db2.gz	XZNLYBUZDNVOHQ-BCXHYRKLSA-N	1	0	361.442	1.286	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(OC)nc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093460212	958188084	/nfs/dbraw/zinc/18/80/84/958188084.db2.gz	YKVNEBWSMXMPFZ-CIWUYKSXSA-N	1	0	357.454	1.303	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CC=C)C3)[C@@H]2C(C)C)c1	ZINC001093464085	958198047	/nfs/dbraw/zinc/19/80/47/958198047.db2.gz	BYEGBHVNVUEPGM-WERVVEIQSA-N	1	0	353.466	1.829	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C(N)=O)co3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093465273	958202478	/nfs/dbraw/zinc/20/24/78/958202478.db2.gz	IZHKVRMKGDSDEV-NPNMTCQASA-N	1	0	361.442	1.144	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3coc(C4CC4)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093465616	958203499	/nfs/dbraw/zinc/20/34/99/958203499.db2.gz	IPPZRXGIOFKCAP-DFYYWFRZSA-N	1	0	357.454	1.765	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnc(OCC)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093467092	958212512	/nfs/dbraw/zinc/21/25/12/958212512.db2.gz	SFQRWMMUAWWXMM-ZJSJBZJDSA-N	1	0	371.481	1.693	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C4CC4)no3)[C@H]2C(C)C)C[C@H]1O	ZINC001093467563	958215320	/nfs/dbraw/zinc/21/53/20/958215320.db2.gz	UPOVDWUXPNNBTR-ZTRFORPCSA-N	1	0	357.454	1.765	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(CC)nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093468403	958219483	/nfs/dbraw/zinc/21/94/83/958219483.db2.gz	ZIJMWAUHRMKXAR-FTEYMNFISA-N	1	0	360.502	1.977	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ncc[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093472741	958240407	/nfs/dbraw/zinc/24/04/07/958240407.db2.gz	MTHMCFUWHZXVLS-KNCCTNLNSA-N	1	0	366.893	1.671	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(Cl)no3)[C@H]2C(C)C)C[C@H]1O	ZINC001093472718	958240552	/nfs/dbraw/zinc/24/05/52/958240552.db2.gz	MKLVAHORYCNZLF-BKBUGSPTSA-N	1	0	351.834	1.541	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cnn(CC)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093472826	958242088	/nfs/dbraw/zinc/24/20/88/958242088.db2.gz	NYLRQMHASMYKAC-JYBIWHBTSA-N	1	0	360.502	1.598	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncccc3OC)[C@H]2C(C)C)C[C@H]1O	ZINC001093474589	958248206	/nfs/dbraw/zinc/24/82/06/958248206.db2.gz	SLJAJRMZNRNCAA-DZJHOTPTSA-N	1	0	359.470	1.856	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(CCC)n[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093454474	958268302	/nfs/dbraw/zinc/26/83/02/958268302.db2.gz	FMCIXEVHIOJDQO-XSYGEPLQSA-N	1	0	358.486	1.575	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(Cl)cn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093454641	958268734	/nfs/dbraw/zinc/26/87/34/958268734.db2.gz	BJUDBZVSBNMISF-KLICCBINSA-N	1	0	363.889	1.891	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cncc(C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093455366	958273105	/nfs/dbraw/zinc/27/31/05/958273105.db2.gz	MJMWRISXWKBTAF-VURPSTOHSA-N	1	0	355.482	1.532	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3ccnc(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093456516	958277787	/nfs/dbraw/zinc/27/77/87/958277787.db2.gz	FCKAZIWGMARALC-VURPSTOHSA-N	1	0	370.497	1.317	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C(N)=O)o3)[C@H]2C(C)C)C[C@H]1O	ZINC001093457450	958279604	/nfs/dbraw/zinc/27/96/04/958279604.db2.gz	JRJYXTMKTYJAMV-QXMSGVSCSA-N	1	0	361.442	1.144	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(N(C)C)ccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093477869	958290191	/nfs/dbraw/zinc/29/01/91/958290191.db2.gz	AEBJVZXWLCQMQO-BNDYYXHWSA-N	1	0	370.497	1.361	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(C)c3C3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093478822	958296013	/nfs/dbraw/zinc/29/60/13/958296013.db2.gz	FPKRWOUGSIOOGE-ZJSJBZJDSA-N	1	0	370.497	1.510	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncccc3OCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093478789	958296624	/nfs/dbraw/zinc/29/66/24/958296624.db2.gz	FDYDVXSBBSTIAV-HQEOYTPBSA-N	1	0	371.481	1.693	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cccc(F)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093479947	958299677	/nfs/dbraw/zinc/29/96/77/958299677.db2.gz	WEXKVWHNJHFCNQ-RMVXJAJNSA-N	1	0	358.457	1.968	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3cnn(C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093481069	958306268	/nfs/dbraw/zinc/30/62/68/958306268.db2.gz	SDZVQVGIRLBSOO-JYBIWHBTSA-N	1	0	360.502	1.505	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncnc3C(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001093481393	958307281	/nfs/dbraw/zinc/30/72/81/958307281.db2.gz	WJDNYPGYMTUXCF-PLOVASNDSA-N	1	0	370.497	1.813	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001093630070	958389611	/nfs/dbraw/zinc/38/96/11/958389611.db2.gz	FIERQZDUXWSLKX-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
Cc1cnn(CC(=O)N2C[C@@H](C[NH2+]Cc3cccc(C#N)c3)[C@H](C)C2)c1	ZINC001093661317	958458422	/nfs/dbraw/zinc/45/84/22/958458422.db2.gz	XFLCPMJLYGUSEF-VQIMIIECSA-N	1	0	351.454	1.948	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2cnn(-c3ccccc3)n2)[C@H](C)C1	ZINC001093672994	958514202	/nfs/dbraw/zinc/51/42/02/958514202.db2.gz	HRFHQGGPCLZMRL-ARFHVFGLSA-N	1	0	352.442	1.611	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2ccc3oc(=O)n(C)c3c2)[C@H](C)C1	ZINC001093679208	958532995	/nfs/dbraw/zinc/53/29/95/958532995.db2.gz	RSJJRUCWMBBYEX-GZBFAFLISA-N	1	0	356.426	1.475	20	30		FDEDRO
CCc1nnc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)o1	ZINC001093699499	958565367	/nfs/dbraw/zinc/56/53/67/958565367.db2.gz	ATHYMRZNNMGTRH-MBNYWOFBSA-N	1	0	356.430	1.891	20	30		FDEDRO
CCc1noc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)n1	ZINC001093699529	958565569	/nfs/dbraw/zinc/56/55/69/958565569.db2.gz	CIDBYYWAHSXYHZ-MBNYWOFBSA-N	1	0	356.430	1.891	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2nnc[nH]2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001093701500	958569763	/nfs/dbraw/zinc/56/97/63/958569763.db2.gz	RHMWLWKLUTYHSS-CZUORRHYSA-N	1	0	370.432	1.632	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093711891	958574762	/nfs/dbraw/zinc/57/47/62/958574762.db2.gz	NIOMHTFSSJWIIZ-RVKKMQEKSA-N	1	0	354.454	1.269	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1ncc(Cl)n1C	ZINC001093722535	958598171	/nfs/dbraw/zinc/59/81/71/958598171.db2.gz	MMRVLHBXSIHACD-VXGBXAGGSA-N	1	0	360.849	1.771	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1nc(CC2CC2)no1	ZINC001093722504	958598356	/nfs/dbraw/zinc/59/83/56/958598356.db2.gz	KSZBAWYYOFOPBC-TZMCWYRMSA-N	1	0	368.441	1.720	20	30		FDEDRO
CCc1nnc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)o1	ZINC001093725508	958607768	/nfs/dbraw/zinc/60/77/68/958607768.db2.gz	OCJHDYFNDGGCMV-MBNYWOFBSA-N	1	0	356.430	1.891	20	30		FDEDRO
CC(C)N1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)C1=O	ZINC001093725658	958609009	/nfs/dbraw/zinc/60/90/09/958609009.db2.gz	YBTWSOKGFULADE-UNEWFSDZSA-N	1	0	357.458	1.193	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001093755178	958684791	/nfs/dbraw/zinc/68/47/91/958684791.db2.gz	XLHXIRSPPRMJCC-IUODEOHRSA-N	1	0	356.405	1.324	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1ccc2c(c1)nnn2C	ZINC001093762935	958703706	/nfs/dbraw/zinc/70/37/06/958703706.db2.gz	MNKNDPSAHWTBBG-RHSMWYFYSA-N	1	0	351.454	1.566	20	30		FDEDRO
C[C@@H]1CN(C(=O)CO[C@H]2CCOC2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093768546	958720073	/nfs/dbraw/zinc/72/00/73/958720073.db2.gz	YZFWBATUOUDOFO-KFWWJZLASA-N	1	0	363.483	1.609	20	30		FDEDRO
C[C@@H]1CN(C(=O)CO[C@@H]2CCOC2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093768547	958720728	/nfs/dbraw/zinc/72/07/28/958720728.db2.gz	YZFWBATUOUDOFO-RBSFLKMASA-N	1	0	363.483	1.609	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001093796538	958806929	/nfs/dbraw/zinc/80/69/29/958806929.db2.gz	UFNCFRGCBHTMLX-NVXWUHKLSA-N	1	0	368.441	1.065	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]Cc2cn(CC)nn2)[C@H](C)C1	ZINC001093824692	958903138	/nfs/dbraw/zinc/90/31/38/958903138.db2.gz	FBBJDXYZBRKSCJ-HZPDHXFCSA-N	1	0	356.474	1.783	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001093838831	958945321	/nfs/dbraw/zinc/94/53/21/958945321.db2.gz	KRFBVHCBVFRVCP-IUODEOHRSA-N	1	0	360.433	1.393	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093842610	958957587	/nfs/dbraw/zinc/95/75/87/958957587.db2.gz	DAULEHUTYDMGBB-DGCLKSJQSA-N	1	0	357.439	1.613	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001093843386	958961053	/nfs/dbraw/zinc/96/10/53/958961053.db2.gz	IHYZVRVBLFJKTP-MLGOLLRUSA-N	1	0	369.400	1.691	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093846189	958966015	/nfs/dbraw/zinc/96/60/15/958966015.db2.gz	FAPVQWAMHANKQW-ZTFGCOKTSA-N	1	0	354.454	1.411	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3c[nH]nc3CC)C[C@H]2C)C1=O	ZINC001093884044	959116158	/nfs/dbraw/zinc/11/61/58/959116158.db2.gz	MOZFKTUKKMIQJB-CKEIUWERSA-N	1	0	359.474	1.057	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCOc3ccccc32)C1	ZINC001197812034	972419611	/nfs/dbraw/zinc/41/96/11/972419611.db2.gz	FJECZUUJUZSMPW-MBOZVWFJSA-N	1	0	360.454	1.091	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cnn(CC)n3)[C@H](C)C2)cc1	ZINC001093956678	959346852	/nfs/dbraw/zinc/34/68/52/959346852.db2.gz	AOSUKIVOLLJUHV-CRAIPNDOSA-N	1	0	351.454	1.777	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093961648	959365115	/nfs/dbraw/zinc/36/51/15/959365115.db2.gz	AULBHZFKUMCONP-LZQZEXGQSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)Cc3cncc(C)c3)C[C@H]2C)C1=O	ZINC001093940526	959410660	/nfs/dbraw/zinc/41/06/60/959410660.db2.gz	QBQWYQWEWCFNOU-BHIYHBOVSA-N	1	0	370.497	1.404	20	30		FDEDRO
C[C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093996725	959472892	/nfs/dbraw/zinc/47/28/92/959472892.db2.gz	RPGYXAVEKPUHBX-CRAIPNDOSA-N	1	0	367.453	1.555	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3nnnn3C(C)C)[C@H](C)C2)c1	ZINC001094029350	959553764	/nfs/dbraw/zinc/55/37/64/959553764.db2.gz	SZLWVQBCKUTPOL-RHSMWYFYSA-N	1	0	367.457	1.128	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C3CC3)o2)[C@H](C)C1	ZINC001094054465	959639037	/nfs/dbraw/zinc/63/90/37/959639037.db2.gz	BGHRZPUZKVNQMJ-MIGQKNRLSA-N	1	0	360.458	1.722	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnc(CC)s2)[C@H](C)C1	ZINC001094055140	959644752	/nfs/dbraw/zinc/64/47/52/959644752.db2.gz	KLGGZXBRTBYIKU-TUVASFSCSA-N	1	0	364.515	1.876	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3cc(C)n(C)n3)[C@H](C)C2)nn1	ZINC001094101232	959725776	/nfs/dbraw/zinc/72/57/76/959725776.db2.gz	JKYRPWHLISZOMM-GDBMZVCRSA-N	1	0	371.489	1.394	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cn(C)nn3)[C@H](C)C2)cc1	ZINC001094094425	959767564	/nfs/dbraw/zinc/76/75/64/959767564.db2.gz	MNBDFLZULFXZNA-NVXWUHKLSA-N	1	0	367.453	1.325	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cc(C)n(C)n2)[C@H](C)C1	ZINC001094103081	959882748	/nfs/dbraw/zinc/88/27/48/959882748.db2.gz	APYGRPDBGFDDGO-JZGRTCEGSA-N	1	0	360.502	1.894	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nncs2)[C@H](C)C1	ZINC001094103533	959884872	/nfs/dbraw/zinc/88/48/72/959884872.db2.gz	UUWHDEQYVJSDFN-NYTXWWLZSA-N	1	0	350.488	1.703	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]Cc2ccnn2C)[C@H](C)C1	ZINC001094173846	959973701	/nfs/dbraw/zinc/97/37/01/959973701.db2.gz	AUVNOTUOYTZVRR-HZPDHXFCSA-N	1	0	367.453	1.325	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ncnn3CC)[C@H](C)C2)cn1	ZINC001094174405	959977094	/nfs/dbraw/zinc/97/70/94/959977094.db2.gz	HWAPDMATUQPXKX-GDBMZVCRSA-N	1	0	352.442	1.172	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCc1cn(C2C[NH+](C[C@@H](C)CC)C2)nn1	ZINC001094290247	960253722	/nfs/dbraw/zinc/25/37/22/960253722.db2.gz	AAXAEDFQOXABQD-QGTPRVQTSA-N	1	0	361.490	1.778	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCn2cccn2)CC3)c1	ZINC001094389104	960334281	/nfs/dbraw/zinc/33/42/81/960334281.db2.gz	UNVDNVHNAISBLK-IEBWSBKVSA-N	1	0	352.442	1.757	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccn(C4CCOCC4)n3)CCC[C@@H]12	ZINC001094416336	960407022	/nfs/dbraw/zinc/40/70/22/960407022.db2.gz	ONAIMFFYNHYMNV-UYAOXDASSA-N	1	0	356.470	1.842	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4c(c3)OCC(=O)N4)CCC[C@@H]12	ZINC001094433359	960445191	/nfs/dbraw/zinc/44/51/91/960445191.db2.gz	GEWGKXZKPUKFHN-YLJYHZDGSA-N	1	0	353.422	1.625	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(OCC(N)=O)cc3)CCC[C@@H]12	ZINC001094463192	960461501	/nfs/dbraw/zinc/46/15/01/960461501.db2.gz	JHUJCOVTTMFYJH-YLJYHZDGSA-N	1	0	355.438	1.158	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4c(n3)OCCO4)CCC[C@@H]12	ZINC001094458568	960556318	/nfs/dbraw/zinc/55/63/18/960556318.db2.gz	OPRMTXIMMXBUGK-YLJYHZDGSA-N	1	0	355.438	1.851	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4c(c3)NC(=O)CO4)CCC[C@@H]12	ZINC001094459724	960561088	/nfs/dbraw/zinc/56/10/88/960561088.db2.gz	RDRTZMIHSLQZLW-DNVCBOLYSA-N	1	0	354.410	1.020	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)c3c(C)c(C)nn(C)c3=O)CCC[C@@H]12	ZINC001094485416	960573360	/nfs/dbraw/zinc/57/33/60/960573360.db2.gz	QVDTUGBVHJHAFG-OXQOHEQNSA-N	1	0	358.486	1.948	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccnc4c3nnn4C)CCC[C@@H]12	ZINC001094498296	960618754	/nfs/dbraw/zinc/61/87/54/960618754.db2.gz	DKJBCBNUXMQMMW-DNVCBOLYSA-N	1	0	352.442	1.361	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3COCCN3CC(F)F)CCC[C@@H]12	ZINC001094477944	960650389	/nfs/dbraw/zinc/65/03/89/960650389.db2.gz	MRJWPLLIOLKVHH-FRQCXROJSA-N	1	0	371.472	1.889	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc4c(=O)[nH]c(C)cn4n3)CCC[C@@H]12	ZINC001094477857	960650574	/nfs/dbraw/zinc/65/05/74/960650574.db2.gz	LKEZWYXIAMVNDT-YLJYHZDGSA-N	1	0	367.453	1.329	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH]nc3[C@@H]3CCOC3)CCC[C@@H]12	ZINC001094478574	960653392	/nfs/dbraw/zinc/65/33/92/960653392.db2.gz	WBSZHOBMUNHNBT-WRWLIDTKSA-N	1	0	356.470	1.911	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)CCC[C@@H]12	ZINC001094512898	960701324	/nfs/dbraw/zinc/70/13/24/960701324.db2.gz	XYBPAHVSHLTBGT-AXVVYFOYSA-N	1	0	361.486	1.006	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](C[C@H](C)OC)CC3)nn1	ZINC001094531367	960738947	/nfs/dbraw/zinc/73/89/47/960738947.db2.gz	LUCXDEBGEDCGPM-KVSKMBFKSA-N	1	0	361.490	1.864	20	30		FDEDRO
C#C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C)[C@H]1CCCO1	ZINC000773298047	960789902	/nfs/dbraw/zinc/78/99/02/960789902.db2.gz	KXERGYUCQVTORB-XMTFNYHQSA-N	1	0	351.491	1.603	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CN(C(C)=O)CCO3)CCC[C@@H]12	ZINC001094571179	960842971	/nfs/dbraw/zinc/84/29/71/960842971.db2.gz	XCSLHRPVKWTWBA-NLWGTHIKSA-N	1	0	363.502	1.561	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(-n4cnnn4)c3)CCC[C@@H]12	ZINC001094576173	960860757	/nfs/dbraw/zinc/86/07/57/960860757.db2.gz	WQHUYISXLATJLE-UYAOXDASSA-N	1	0	364.453	1.660	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cn(C[C@H]4CCOC4)nn3)CCC[C@@H]12	ZINC001094548437	960885232	/nfs/dbraw/zinc/88/52/32/960885232.db2.gz	YMTGHICCXAVERL-YVWKXTFCSA-N	1	0	371.485	1.312	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCOCCOC)C1	ZINC001181525964	960906375	/nfs/dbraw/zinc/90/63/75/960906375.db2.gz	XZQGJUCSFGMQSZ-FTEYMNFISA-N	1	0	368.518	1.705	20	30		FDEDRO
C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1	ZINC000773945804	961103499	/nfs/dbraw/zinc/10/34/99/961103499.db2.gz	YZYZHRVCEIDHSS-CQSZACIVSA-N	1	0	374.460	1.775	20	30		FDEDRO
COC(=O)C1(Nc2cc(C#N)cnn2)CC[NH+](Cc2ccccc2)CC1	ZINC001171507535	961210063	/nfs/dbraw/zinc/21/00/63/961210063.db2.gz	XKSGRRQKBFXUTC-UHFFFAOYSA-N	1	0	351.410	1.968	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCO[C@H]1C1CC1	ZINC001171860077	961330553	/nfs/dbraw/zinc/33/05/53/961330553.db2.gz	KWHLIVFVSKEQEW-LESCRADOSA-N	1	0	351.491	1.368	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC(N2CCS(=O)(=O)CC2)CC1	ZINC001172318816	961619655	/nfs/dbraw/zinc/61/96/55/961619655.db2.gz	JIDOJCHUYRSNSR-INIZCTEOSA-N	1	0	361.511	1.684	20	30		FDEDRO
C[C@H](CCCC#N)[NH2+][C@H]1CCc2c(ccc(=O)n2CCN2CCOCC2)C1	ZINC001172478992	961666689	/nfs/dbraw/zinc/66/66/89/961666689.db2.gz	GFBRDROLIZSIGV-MJGOQNOKSA-N	1	0	372.513	1.710	20	30		FDEDRO
CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CC[N@@H+]([C@H](C)CCCC#N)C2	ZINC001172495675	961686642	/nfs/dbraw/zinc/68/66/42/961686642.db2.gz	SPCSZGWBBYJXKV-DNVCBOLYSA-N	1	0	372.473	1.142	20	30		FDEDRO
C#CCN(C(=O)NCC1([NH+](C)C)CCCCCC1)[C@H]1CCS(=O)(=O)C1	ZINC000774149027	961773186	/nfs/dbraw/zinc/77/31/86/961773186.db2.gz	KUCMONGNCOHDNV-INIZCTEOSA-N	1	0	369.531	1.473	20	30		FDEDRO
COC(=O)CCC(=O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1	ZINC001172968831	961853975	/nfs/dbraw/zinc/85/39/75/961853975.db2.gz	OWANDLKLBMKYDZ-OLZOCXBDSA-N	1	0	353.419	1.390	20	30		FDEDRO
CN(C(=O)CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C1CC1	ZINC001172967313	961854321	/nfs/dbraw/zinc/85/43/21/961854321.db2.gz	VQRKCIAEIMHSOC-ZFWWWQNUSA-N	1	0	350.463	1.879	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC3(CNC(=O)C3)CC2)C[C@H]1C#N	ZINC001172978896	961862098	/nfs/dbraw/zinc/86/20/98/961862098.db2.gz	AZNYQCRWJPWWNN-GJZGRUSLSA-N	1	0	362.474	1.880	20	30		FDEDRO
COC(=O)CO[C@H]1CC[N@@H+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1	ZINC001172994700	961902784	/nfs/dbraw/zinc/90/27/84/961902784.db2.gz	YLNAYOZFVQZPOU-ILXRZTDVSA-N	1	0	367.446	1.542	20	30		FDEDRO
C=CCN1CCN(C)C2(CC[NH+]([C@@H]3CCc4ncsc4C3)CC2)C1=O	ZINC001173134653	961928536	/nfs/dbraw/zinc/92/85/36/961928536.db2.gz	JMBWZFAPTABSTH-OAHLLOKOSA-N	1	0	360.527	1.795	20	30		FDEDRO
C=CCOC1CCC([N@H+]2CCO[C@]3(C2)COCCN(C(C)=O)C3)CC1	ZINC001173322080	962004426	/nfs/dbraw/zinc/00/44/26/962004426.db2.gz	YRHIMOOYJZKDHQ-CTWPCTMYSA-N	1	0	352.475	1.450	20	30		FDEDRO
C=CCOC1CCC([N@H+]2C[C@H]3C[C@H]4[C@@](CN(CC)S4(=O)=O)(C2)O3)CC1	ZINC001173325141	962006356	/nfs/dbraw/zinc/00/63/56/962006356.db2.gz	ZJFZWGXPLLORIX-QEXNXIHPSA-N	1	0	370.515	1.377	20	30		FDEDRO
CN(C)C(=O)COC[C@@H]1Cn2nccc2C[N@@H+](C2CCC(CC#N)CC2)C1	ZINC001173336007	962009155	/nfs/dbraw/zinc/00/91/55/962009155.db2.gz	JZKOOWZUTIGOMW-ADKAHSJRSA-N	1	0	373.501	1.892	20	30		FDEDRO
Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(OCC#N)cc2)cn1	ZINC001095160674	962127321	/nfs/dbraw/zinc/12/73/21/962127321.db2.gz	ULVBKQRRDUXIAM-NEWSRXKRSA-N	1	0	365.437	1.858	20	30		FDEDRO
Cn1ccc(C[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1=O	ZINC001173426276	962135927	/nfs/dbraw/zinc/13/59/27/962135927.db2.gz	SJFNNFYJECYXAP-UHFFFAOYSA-N	1	0	350.422	1.651	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH+]3CCN([C@H]4CCOC4)CC3)CC2)cc1	ZINC001173428938	962143462	/nfs/dbraw/zinc/14/34/62/962143462.db2.gz	NZFKWNAIXYNJRJ-FQEVSTJZSA-N	1	0	368.481	1.569	20	30		FDEDRO
C[C@@]1(CO)CC[N@@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C[C@@H]1O	ZINC001173429888	962145898	/nfs/dbraw/zinc/14/58/98/962145898.db2.gz	FLGCMLUSWJGTNX-ICSRJNTNSA-N	1	0	357.454	1.228	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@]4(CNC(=O)O4)C3)CC2)cc1	ZINC001173432459	962149930	/nfs/dbraw/zinc/14/99/30/962149930.db2.gz	APKOOGVVNJADJP-HXUWFJFHSA-N	1	0	368.437	1.737	20	30		FDEDRO
CC(=O)N[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1	ZINC001173432302	962150379	/nfs/dbraw/zinc/15/03/79/962150379.db2.gz	XRKBWXDHNOZBLO-GOSISDBHSA-N	1	0	354.454	1.763	20	30		FDEDRO
C=C(C)C(=O)OCC[NH2+][C@H]1CCN(C(=O)c2ccccc2)[C@@H](C(=O)OC)C1	ZINC001173504771	962220070	/nfs/dbraw/zinc/22/00/70/962220070.db2.gz	WKUQAZFTWMNTIM-DLBZAZTESA-N	1	0	374.437	1.542	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2cccnc2)C[C@H]1C	ZINC001182685515	962434556	/nfs/dbraw/zinc/43/45/56/962434556.db2.gz	WJCUJBICEMMNAN-LNNXQNCSSA-N	1	0	368.481	1.009	20	30		FDEDRO
COC(=O)[C@@H]1C[C@H]([NH2+]CCCOc2cccc(C#N)c2)C[C@@H]1C(=O)OC	ZINC001173583981	962459223	/nfs/dbraw/zinc/45/92/23/962459223.db2.gz	YELLVIYONSLDKX-ACHSLPGTSA-N	1	0	360.410	1.658	20	30		FDEDRO
CN(C)C(=O)CN1CC[C@]2(CCC[N@@H+](C3CCC(C)(C#N)CC3)C2)C1=O	ZINC001173594723	962469882	/nfs/dbraw/zinc/46/98/82/962469882.db2.gz	KFVYAWPLYKJYER-GQOXECLESA-N	1	0	360.502	1.862	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1	ZINC001183042974	962755020	/nfs/dbraw/zinc/75/50/20/962755020.db2.gz	INNNEQFGIXLBNM-QUCCMNQESA-N	1	0	357.454	1.872	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1C[C@@H]2[C@H](C1)OCCN2Cc1c(C)noc1C	ZINC001183043536	962756814	/nfs/dbraw/zinc/75/68/14/962756814.db2.gz	SZCLIGMWIFXVOK-MOPGFXCFSA-N	1	0	374.485	1.355	20	30		FDEDRO
CCCCC(=O)NCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC001183270796	962954764	/nfs/dbraw/zinc/95/47/64/962954764.db2.gz	DOIMHHDRSWDXHY-UHFFFAOYSA-N	1	0	356.470	1.967	20	30		FDEDRO
C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1	ZINC001175236852	963103350	/nfs/dbraw/zinc/10/33/50/963103350.db2.gz	MZBQGEJJAJHXFK-FGTMMUONSA-N	1	0	365.518	1.997	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(OC)nn1	ZINC001175364852	963169881	/nfs/dbraw/zinc/16/98/81/963169881.db2.gz	CDDOVXWGJWUXHV-UAGQMJEPSA-N	1	0	362.474	1.841	20	30		FDEDRO
C=CCOCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCCC1)C2	ZINC001111684172	963185880	/nfs/dbraw/zinc/18/58/80/963185880.db2.gz	FTVNURWXLPCOQE-PXNSSMCTSA-N	1	0	363.502	1.562	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[NH+]1CCC(O)(c2ccnn2C)CC1	ZINC001175844451	963296238	/nfs/dbraw/zinc/29/62/38/963296238.db2.gz	HGCDLMAEIJQTQC-UHFFFAOYSA-N	1	0	356.426	1.663	20	30		FDEDRO
CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1CCCCN1Cc1ccccc1C#N	ZINC001183840937	963306750	/nfs/dbraw/zinc/30/67/50/963306750.db2.gz	KILVEJJNVZUNQG-SFHVURJKSA-N	1	0	372.469	1.263	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1)[C@@H]1CCCO1	ZINC000773556517	963383683	/nfs/dbraw/zinc/38/36/83/963383683.db2.gz	DFJRUYULLCJOPA-MOPGFXCFSA-N	1	0	365.518	1.947	20	30		FDEDRO
N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2C[C@H]2Cc2ccccc2)C1	ZINC001184483976	963631881	/nfs/dbraw/zinc/63/18/81/963631881.db2.gz	ZSRCHNPFJSQDNR-FGTMMUONSA-N	1	0	354.454	1.086	20	30		FDEDRO
CO/N=C(\C(=O)N(C(N)=[NH2+])c1ccc(N2CCOCC2)cc1)c1ccco1	ZINC001177354912	963797144	/nfs/dbraw/zinc/79/71/44/963797144.db2.gz	BVNSDGJQLIDRHV-PGMHBOJBSA-N	1	0	371.397	1.393	20	30		FDEDRO
C[C@@H]1CC[C@H](C(=O)N(CCC[NH2+]CC(=O)NCC#N)CC2CCCC2)O1	ZINC001177428009	963838274	/nfs/dbraw/zinc/83/82/74/963838274.db2.gz	VUAJQFPLFQSOKY-NVXWUHKLSA-N	1	0	364.490	1.192	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2CC)C1	ZINC001185198589	963856731	/nfs/dbraw/zinc/85/67/31/963856731.db2.gz	ATDVQWXKJJHZOX-NZSAHSFTSA-N	1	0	355.482	1.845	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCCO1	ZINC000774962846	964232717	/nfs/dbraw/zinc/23/27/17/964232717.db2.gz	JYVXRTWEEBUPOH-OTWHNJEPSA-N	1	0	369.465	1.237	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cn2nccn2)C1	ZINC001186188441	964337160	/nfs/dbraw/zinc/33/71/60/964337160.db2.gz	BAIQAKCNNXABHU-IEBWSBKVSA-N	1	0	369.444	1.662	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@]2(C)CCNC2=O)C1	ZINC001186196565	964345399	/nfs/dbraw/zinc/34/53/99/964345399.db2.gz	NCIXORYFLBLTFC-HGHGUNKESA-N	1	0	371.456	1.507	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CCNC(N)=O)C1	ZINC001186203682	964351058	/nfs/dbraw/zinc/35/10/58/964351058.db2.gz	QXWIEFHNQIMCBC-NVXWUHKLSA-N	1	0	362.449	1.592	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CCCCCCNC(=O)[C@H]2OCC[C@H]2CC)C1=O	ZINC001178733877	964401952	/nfs/dbraw/zinc/40/19/52/964401952.db2.gz	UASLUHYOGCBSPZ-SQNIBIBYSA-N	1	0	365.518	1.855	20	30		FDEDRO
CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC12CCOCC2	ZINC001186424687	964504186	/nfs/dbraw/zinc/50/41/86/964504186.db2.gz	LVCRJWXJADFHRO-CADBVGFASA-N	1	0	360.498	1.670	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3C[N@@H+](CC)CC3(C)C)cc2C1=O	ZINC001178861394	964535286	/nfs/dbraw/zinc/53/52/86/964535286.db2.gz	XAVNXDLCDWGUSN-MRXNPFEDSA-N	1	0	355.438	1.929	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)cc1	ZINC000957567275	1013503210	/nfs/dbraw/zinc/50/32/10/1013503210.db2.gz	UKZDDQZSLFKEOL-VQIMIIECSA-N	1	0	365.477	1.873	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000775046762	964666689	/nfs/dbraw/zinc/66/66/89/964666689.db2.gz	YTEGCCPPWAGWMT-CQSZACIVSA-N	1	0	366.259	1.402	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCCCn2cncn2)[C@@H]1C	ZINC001179561313	964899080	/nfs/dbraw/zinc/89/90/80/964899080.db2.gz	GHUMUGSZLRWUJY-MHORFTMASA-N	1	0	361.490	1.619	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCc2ccco2)[C@@H]1C	ZINC001179565863	964901276	/nfs/dbraw/zinc/90/12/76/964901276.db2.gz	RUASTXRKJGIHEA-ORQFMDKSSA-N	1	0	361.442	1.066	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ncnn2CC(C)C)C1	ZINC000962321279	1013530743	/nfs/dbraw/zinc/53/07/43/1013530743.db2.gz	JBENTNFGYBJXBZ-BACDZXNISA-N	1	0	361.490	1.510	20	30		FDEDRO
C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1	ZINC001179572840	964904264	/nfs/dbraw/zinc/90/42/64/964904264.db2.gz	GAVGWQBVFLBHSI-CABCVRRESA-N	1	0	359.898	1.641	20	30		FDEDRO
COc1ccc(NC(=O)[C@@H]2C[C@@H]2C#N)cc1OCCCN1CC[NH+](C)CC1	ZINC001186982494	964921203	/nfs/dbraw/zinc/92/12/03/964921203.db2.gz	QMFGZJRRWDFBFB-NVXWUHKLSA-N	1	0	372.469	1.810	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cn[nH]c3)[C@@H]2C1	ZINC001187010103	964927735	/nfs/dbraw/zinc/92/77/35/964927735.db2.gz	SMLZJDCZCZYYMG-HLLBOEOZSA-N	1	0	359.474	1.369	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CCCCCCNC(=O)[C@H]2CC[C@@H](C)O2)C1=O	ZINC001179645880	964932899	/nfs/dbraw/zinc/93/28/99/964932899.db2.gz	HYPXSKSYDUCSPK-BRWVUGGUSA-N	1	0	351.491	1.607	20	30		FDEDRO
COCC#CC(=O)N(CC[NH3+])c1nc2ccc(C)cc2n2c(C)cnc12	ZINC001187136716	965036609	/nfs/dbraw/zinc/03/66/09/965036609.db2.gz	UUKGMSIZEZEYMX-UHFFFAOYSA-N	1	0	351.410	1.441	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)CC1	ZINC000775104703	965109171	/nfs/dbraw/zinc/10/91/71/965109171.db2.gz	VYMUDBPNAUPRFF-MRXNPFEDSA-N	1	0	368.481	1.463	20	30		FDEDRO
C=CCCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)COCC(F)(F)F)C[C@H]21	ZINC001187240706	965116611	/nfs/dbraw/zinc/11/66/11/965116611.db2.gz	XVEWOJQXZQUTKV-MELADBBJSA-N	1	0	350.381	1.425	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@H+](Cc3cccc4nsnc43)C[C@H]21	ZINC001187320440	965242332	/nfs/dbraw/zinc/24/23/32/965242332.db2.gz	UEXUPLZQPLDHCG-XJKSGUPXSA-N	1	0	358.467	1.927	20	30		FDEDRO
COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NCC(C)(C)S	ZINC001180409030	965314828	/nfs/dbraw/zinc/31/48/28/965314828.db2.gz	AABSBQVTXBDTRZ-LSDHHAIUSA-N	1	0	350.484	1.732	20	30		FDEDRO
CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1	ZINC001187465690	965379882	/nfs/dbraw/zinc/37/98/82/965379882.db2.gz	MXAFCOYLHOLMPI-JLJPHGGASA-N	1	0	357.458	1.290	20	30		FDEDRO
C=CCSCC(=O)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1	ZINC001180558967	965398659	/nfs/dbraw/zinc/39/86/59/965398659.db2.gz	BHDVUGKQHJIWDR-SUMWQHHRSA-N	1	0	351.447	1.994	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCc4ccc(F)cc43)C[C@H]21	ZINC001187597826	965516766	/nfs/dbraw/zinc/51/67/66/965516766.db2.gz	FBLHEJXLHRUVEB-ZYSHUDEJSA-N	1	0	369.440	1.485	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(C(=O)NC)c3)C[C@H]21	ZINC001187699401	965645068	/nfs/dbraw/zinc/64/50/68/965645068.db2.gz	XDHIBSFSLZBUGZ-UEXGIBASSA-N	1	0	371.481	1.406	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]21	ZINC001187756051	965721907	/nfs/dbraw/zinc/72/19/07/965721907.db2.gz	VKPMZBVTRLUDTP-QKLQHJQFSA-N	1	0	365.518	1.492	20	30		FDEDRO
C#C[C@H]([NH2+]CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCCO1	ZINC000796012723	1013596632	/nfs/dbraw/zinc/59/66/32/1013596632.db2.gz	UXUAHGYVYVCEDG-HOTGVXAUSA-N	1	0	365.474	1.226	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](CCOc3ccc(F)cc3)C[C@H]21	ZINC001187865189	965809671	/nfs/dbraw/zinc/80/96/71/965809671.db2.gz	MFTJDXHANIOGDO-JTDSTZFVSA-N	1	0	360.429	1.776	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](CCCCCn3cncn3)C[C@H]21	ZINC001187865154	965810234	/nfs/dbraw/zinc/81/02/34/965810234.db2.gz	JYFIIEPFOAOZCQ-OKZBNKHCSA-N	1	0	359.474	1.019	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)[C@@H]2C1	ZINC001187904171	965845944	/nfs/dbraw/zinc/84/59/44/965845944.db2.gz	RDGNWIIXEUAQHH-YQQAZPJKSA-N	1	0	357.458	1.262	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@H+](CCCCCn3cncn3)C[C@H]21	ZINC001187873598	965868372	/nfs/dbraw/zinc/86/83/72/965868372.db2.gz	ACHADNQTJHEGTC-ZWKOTPCHSA-N	1	0	359.474	1.021	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)CCc3ccccc3)C[C@H]21	ZINC001187874294	965871045	/nfs/dbraw/zinc/87/10/45/965871045.db2.gz	QXZOZXGFXOHCJW-PWRODBHTSA-N	1	0	370.493	1.553	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]21	ZINC001187874283	965871102	/nfs/dbraw/zinc/87/11/02/965871102.db2.gz	QOUQPYCNJHYLHL-ZWKOTPCHSA-N	1	0	363.502	1.204	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]nc4c3CCCC4)[C@@H]2C1	ZINC001187924652	965907562	/nfs/dbraw/zinc/90/75/62/965907562.db2.gz	CDWJEQBVSSHDPD-HNAYVOBHSA-N	1	0	358.486	1.566	20	30		FDEDRO
C=C(C)CCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(c4ccn(C)n4)C3=O)C[C@H]21	ZINC001188086811	965997929	/nfs/dbraw/zinc/99/79/29/965997929.db2.gz	BNCCYOFVGBWIJG-YESZJQIVSA-N	1	0	371.485	1.414	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4ccccc4c(=O)[nH]3)[C@@H]2C1	ZINC001188205446	966121607	/nfs/dbraw/zinc/12/16/07/966121607.db2.gz	MBMQYUOVRGYKSM-QFBILLFUSA-N	1	0	365.433	1.737	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CCC3(F)F)[C@@H]2C1	ZINC001188300424	966171503	/nfs/dbraw/zinc/17/15/03/966171503.db2.gz	WSYCMZWMQLZZIB-ARFHVFGLSA-N	1	0	369.456	1.989	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCCN2C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC000964483188	1013631364	/nfs/dbraw/zinc/63/13/64/1013631364.db2.gz	SGTPCYHHDCAFAX-FGTMMUONSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CCS(=O)(=O)CC(C)C)[C@@H]2C1	ZINC001188363188	966236016	/nfs/dbraw/zinc/23/60/16/966236016.db2.gz	PXWAFOWKGDYFFD-DLBZAZTESA-N	1	0	356.532	1.946	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)CC(=O)NC(C)C)[C@@H]2C1	ZINC001188450327	966322581	/nfs/dbraw/zinc/32/25/81/966322581.db2.gz	PPECUKJIBDJKPI-FGTMMUONSA-N	1	0	364.534	1.330	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(NC(C)=O)cc3)[C@@H]2C1	ZINC001188469895	966340611	/nfs/dbraw/zinc/34/06/11/966340611.db2.gz	GTHZTQAQOYORSD-AZUAARDMSA-N	1	0	371.481	1.923	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cccc4cccnc43)[C@@H]2C1	ZINC001188724433	966537992	/nfs/dbraw/zinc/53/79/92/966537992.db2.gz	TUZOGEHHJHKFON-VQTJNVASSA-N	1	0	363.461	1.960	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)NS(C)(=O)=O)[C@@H]2C1	ZINC001189245891	966850953	/nfs/dbraw/zinc/85/09/53/966850953.db2.gz	HIESEJOGTPECFW-HRCADAONSA-N	1	0	359.536	1.427	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCN(C)S3(=O)=O)[C@@H]2C1	ZINC001189391238	966936149	/nfs/dbraw/zinc/93/61/49/966936149.db2.gz	RRMSNZJTBRTMHI-BBWFWOEESA-N	1	0	371.547	1.523	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CCN(C(=O)CC[NH+]2CCCCC2)C1	ZINC000957643456	1013698460	/nfs/dbraw/zinc/69/84/60/1013698460.db2.gz	HCEOPDXWFVFKKX-FUHIMQAGSA-N	1	0	363.502	1.561	20	30		FDEDRO
C#C[C@@H](NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CCOCC1	ZINC000852248275	967148098	/nfs/dbraw/zinc/14/80/98/967148098.db2.gz	FNHFUZWFHCNEMU-WOJBJXKFSA-N	1	0	371.481	1.481	20	30		FDEDRO
COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3CCC[C@H](CC#N)C3)CC2)cc1	ZINC000852319986	967219402	/nfs/dbraw/zinc/21/94/02/967219402.db2.gz	UNAQSTBYFLTONA-QUCCMNQESA-N	1	0	372.513	1.804	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCC(=O)NCCCOC)[C@@H]2C1	ZINC001189755229	967229565	/nfs/dbraw/zinc/22/95/65/967229565.db2.gz	FPGBNVVCNZMSNZ-OKZBNKHCSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)[C@@H]2C1	ZINC001189780824	967263947	/nfs/dbraw/zinc/26/39/47/967263947.db2.gz	ZLAVGDZRIBUUQX-RWMBFGLXSA-N	1	0	362.430	1.397	20	30		FDEDRO
C[NH+](C)CCOCC(=O)N1CC[C@H]2CN(CC#Cc3ccccc3)C[C@H]21	ZINC001189801389	967302391	/nfs/dbraw/zinc/30/23/91/967302391.db2.gz	DUYZZPNBGCMYLJ-VQTJNVASSA-N	1	0	355.482	1.149	20	30		FDEDRO
CC(C)(C)OC(=O)[C@]12COC[C@H]1C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C2	ZINC000852486845	967366451	/nfs/dbraw/zinc/36/64/51/967366451.db2.gz	FCGXKWNBFUAXSW-MBOZVWFJSA-N	1	0	358.438	1.882	20	30		FDEDRO
C#CCNC(=O)CC[NH+]1CCN(c2ccc(Br)cc2)CC1	ZINC000852490253	967369048	/nfs/dbraw/zinc/36/90/48/967369048.db2.gz	OUHLXVPDJJFWIK-UHFFFAOYSA-N	1	0	350.260	1.711	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H]2CCCOC2)CCOCC1	ZINC001110651094	967383710	/nfs/dbraw/zinc/38/37/10/967383710.db2.gz	NDPNRGKWUNABTI-MKXGPGLRSA-N	1	0	360.498	1.955	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc4CO3)[C@@H]2C1	ZINC001189992917	967485498	/nfs/dbraw/zinc/48/54/98/967485498.db2.gz	SBQLBJPLRKXFGF-SXLOBPIMSA-N	1	0	356.466	1.863	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)[C@@H]2C1	ZINC001190072968	967546655	/nfs/dbraw/zinc/54/66/55/967546655.db2.gz	XYNWPYALTAFRBY-JKSUJKDBSA-N	1	0	362.474	1.160	20	30		FDEDRO
C=C[C@H](CO)NCC(=O)N(c1ccc(C)c(C)c1)[C@@H]1C=CS(=O)(=O)C1	ZINC000852714671	967549687	/nfs/dbraw/zinc/54/96/87/967549687.db2.gz	XXTWSJDAXFPZLG-NVXWUHKLSA-N	1	0	364.467	1.084	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1	ZINC000852739187	967569768	/nfs/dbraw/zinc/56/97/68/967569768.db2.gz	OGGZPJDIFAXZQQ-ZIAGYGMSSA-N	1	0	356.442	1.686	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)COc3ccc(C)cc3C)[C@@H]2C1	ZINC001190116185	967573885	/nfs/dbraw/zinc/57/38/85/967573885.db2.gz	KFPJSRWPLNOMCT-RBUKOAKNSA-N	1	0	356.466	1.865	20	30		FDEDRO
CC[C@H](NC(=O)C#CC1CC[NH2+]CC1)c1ccccc1OCC(=O)N(C)C	ZINC000852814847	967627468	/nfs/dbraw/zinc/62/74/68/967627468.db2.gz	PILTZEYAOOJOSM-SFHVURJKSA-N	1	0	371.481	1.724	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c([nH]c3=O)CCC4)[C@@H]2C1	ZINC001190176158	967628071	/nfs/dbraw/zinc/62/80/71/967628071.db2.gz	CPPXMJIYGGBJFE-MAUKXSAKSA-N	1	0	357.454	1.625	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CC#Cc3ccc(F)cc3)C2)C1	ZINC001190221973	967637554	/nfs/dbraw/zinc/63/75/54/967637554.db2.gz	VGUZCFQGYYFVFQ-ATZDWAIDSA-N	1	0	371.456	1.625	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCNC(=O)NC(C)C)C1	ZINC001190229359	967642866	/nfs/dbraw/zinc/64/28/66/967642866.db2.gz	COGJQRKZFADYOU-ZACQAIPSSA-N	1	0	366.506	1.208	20	30		FDEDRO
CCc1noc(-c2ccc(CCNC(=O)C#CC3CC[NH2+]CC3)cc2)n1	ZINC000852834218	967644155	/nfs/dbraw/zinc/64/41/55/967644155.db2.gz	ZTQSTNPGSQBXGU-UHFFFAOYSA-N	1	0	352.438	1.961	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NCc1cccc(NC(=O)c2cccnc2)c1	ZINC000852858049	967661556	/nfs/dbraw/zinc/66/15/56/967661556.db2.gz	OBHPQJWMSLNPCT-UHFFFAOYSA-N	1	0	362.433	1.953	20	30		FDEDRO
Cc1ccc([C@H](CNC(=O)C#CC2CC[NH2+]CC2)N2CCOCC2)cc1	ZINC000852861388	967667351	/nfs/dbraw/zinc/66/73/51/967667351.db2.gz	TZEQCCBTXGZYKX-FQEVSTJZSA-N	1	0	355.482	1.488	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NCc1ccc(NC(=O)c2ccncc2)cc1	ZINC000852863556	967668242	/nfs/dbraw/zinc/66/82/42/967668242.db2.gz	GWGJOHZGSRUPJO-UHFFFAOYSA-N	1	0	362.433	1.953	20	30		FDEDRO
CCOC(=O)c1csc([C@@H]2CCCN2C(=O)C#CC2CC[NH2+]CC2)n1	ZINC000852889674	967692306	/nfs/dbraw/zinc/69/23/06/967692306.db2.gz	JEOGCJKAMAFUMT-HNNXBMFYSA-N	1	0	361.467	1.986	20	30		FDEDRO
C#CCC[NH+]1CCC(NS(=O)(=O)c2cc(C)c(C(=O)OC)o2)CC1	ZINC000853074903	967809492	/nfs/dbraw/zinc/80/94/92/967809492.db2.gz	GLVGNZCTRARTGM-UHFFFAOYSA-N	1	0	354.428	1.141	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)[C@@H]2C1	ZINC001190410296	967825530	/nfs/dbraw/zinc/82/55/30/967825530.db2.gz	ZVOJNNGCLVMHBU-DOTOQJQBSA-N	1	0	369.425	1.645	20	30		FDEDRO
COc1ccc(N2CC[NH+](CCCNc3c(C#N)cnn3C)CC2)cc1	ZINC000853094934	967827786	/nfs/dbraw/zinc/82/77/86/967827786.db2.gz	CSINTEXIVMMNQS-UHFFFAOYSA-N	1	0	354.458	1.925	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(C(C)(C)C)C3=O)C[C@H]21	ZINC001190430798	967843733	/nfs/dbraw/zinc/84/37/33/967843733.db2.gz	OKSISUKVPIXKOI-GVDBMIGSSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]21	ZINC001190431437	967845930	/nfs/dbraw/zinc/84/59/30/967845930.db2.gz	ZWTCZONMFBECAO-RYQLBKOJSA-N	1	0	361.486	1.265	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C	ZINC000853123670	967846351	/nfs/dbraw/zinc/84/63/51/967846351.db2.gz	YPHRBTJLHFJLAN-CSLYMUCUSA-N	1	0	352.479	1.182	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@H]21	ZINC001190450177	967878041	/nfs/dbraw/zinc/87/80/41/967878041.db2.gz	RMIKNXBEIUDYBL-IJEWVQPXSA-N	1	0	352.866	1.660	20	30		FDEDRO
C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1	ZINC000853242556	967940353	/nfs/dbraw/zinc/94/03/53/967940353.db2.gz	UBTBFFCZSIGVHV-INIZCTEOSA-N	1	0	367.490	1.330	20	30		FDEDRO
COc1ccc(CN2CCC(=NNC3=[NH+][C@@H]4CCCC[C@H]4N3)C2=O)cc1	ZINC000853325094	967971593	/nfs/dbraw/zinc/97/15/93/967971593.db2.gz	QYZOQPUMVNEBPS-HZPDHXFCSA-N	1	0	355.442	1.644	20	30		FDEDRO
COc1ccc(CN2CCC(=NNC3=[NH+][C@H]4CCCC[C@@H]4N3)C2=O)cc1	ZINC000853325093	967971709	/nfs/dbraw/zinc/97/17/09/967971709.db2.gz	QYZOQPUMVNEBPS-HOTGVXAUSA-N	1	0	355.442	1.644	20	30		FDEDRO
C#CCCN(CCOC)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1	ZINC000853336984	967975371	/nfs/dbraw/zinc/97/53/71/967975371.db2.gz	AQANRLFLYHRBGO-UHFFFAOYSA-N	1	0	373.501	1.405	20	30		FDEDRO
C#CC[C@@H]([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1C)c1ccccc1	ZINC000775400248	967985317	/nfs/dbraw/zinc/98/53/17/967985317.db2.gz	NJVIKQMXSSKHJS-QGZVFWFLSA-N	1	0	371.462	1.935	20	30		FDEDRO
C#Cc1ccccc1C(=O)N1CCC([NH3+])(C(=O)NCc2ccccc2)CC1	ZINC001191129227	968288657	/nfs/dbraw/zinc/28/86/57/968288657.db2.gz	ZFZSUTNWVNZLCQ-UHFFFAOYSA-N	1	0	361.445	1.918	20	30		FDEDRO
COc1cccc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CSCC#N)C2)c1	ZINC001191149507	968299648	/nfs/dbraw/zinc/29/96/48/968299648.db2.gz	WHKUVOZVMVHRIG-IAGOWNOFSA-N	1	0	363.483	1.046	20	30		FDEDRO
COc1ccc(CNC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1C#N	ZINC000853882752	968396567	/nfs/dbraw/zinc/39/65/67/968396567.db2.gz	SAJBDUCFYVGZLD-QGZVFWFLSA-N	1	0	358.442	1.307	20	30		FDEDRO
C[C@H](CCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[NH+](C)C	ZINC000853990529	968505055	/nfs/dbraw/zinc/50/50/55/968505055.db2.gz	PHTBVURBLHKHRL-RDBSUJKOSA-N	1	0	353.467	1.385	20	30		FDEDRO
COc1cc(C)nc(N(C(=O)c2ccnc(C#N)c2)C2CC[NH2+]CC2)n1	ZINC001191549856	968606859	/nfs/dbraw/zinc/60/68/59/968606859.db2.gz	VWRPNGKKEVUOAF-UHFFFAOYSA-N	1	0	352.398	1.459	20	30		FDEDRO
CSC[C@H](C)C(=O)N[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1O	ZINC001191814042	968765257	/nfs/dbraw/zinc/76/52/57/968765257.db2.gz	BOHAOTQSGPMMFF-IAOVAPTHSA-N	1	0	350.459	1.338	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H](CNc2cncc(C#N)n2)C2CCCC2)CC[N@@H+]1C	ZINC001110683937	968838667	/nfs/dbraw/zinc/83/86/67/968838667.db2.gz	QSHZFGQDZXPMIY-XYPHTWIQSA-N	1	0	356.474	1.775	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)c2C)C[C@H]1O	ZINC001192054353	968931722	/nfs/dbraw/zinc/93/17/22/968931722.db2.gz	QWKWDZVCNOVKNU-QZTJIDSGSA-N	1	0	362.470	1.648	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CC[C@H](Oc2cncc(Br)c2)C1	ZINC000854577959	968993839	/nfs/dbraw/zinc/99/38/39/968993839.db2.gz	ANYNWUMVWFLKMV-ZDUSSCGKSA-N	1	0	354.248	1.942	20	30		FDEDRO
Cc1ncc(C(=O)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1C#N	ZINC001192284948	969043785	/nfs/dbraw/zinc/04/37/85/969043785.db2.gz	HYSYVCWFCVPOPT-UHFFFAOYSA-N	1	0	364.453	1.753	20	30		FDEDRO
Cc1ncc(C(=O)N2c3ccccc3C(=O)NC23CC[NH2+]CC3)cc1C#N	ZINC001192288790	969046070	/nfs/dbraw/zinc/04/60/70/969046070.db2.gz	KBUDQYFKEKTYMI-UHFFFAOYSA-N	1	0	361.405	1.732	20	30		FDEDRO
C[N@H+](CC#Cc1cccc(Cl)c1)[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001192378834	969088471	/nfs/dbraw/zinc/08/84/71/969088471.db2.gz	YZBYSBSVBRJMKH-BBWFWOEESA-N	1	0	359.857	1.346	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCCOCc2ccccc2)C[C@H]1O	ZINC001192529082	969173246	/nfs/dbraw/zinc/17/32/46/969173246.db2.gz	AKGJGYGKICANIY-QWFCFKBJSA-N	1	0	362.470	1.082	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@H+](CCOCCC(C)C)C[C@H]1O	ZINC001192916759	969364504	/nfs/dbraw/zinc/36/45/04/969364504.db2.gz	PFZRIBJAFYTVCB-RTBURBONSA-N	1	0	370.534	1.973	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@H]1O	ZINC001192924829	969382042	/nfs/dbraw/zinc/38/20/42/969382042.db2.gz	POZLXRNYPGCAFD-IPMKNSEASA-N	1	0	368.518	1.727	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2csc([C@H]3CCCO3)n2)C1	ZINC001192990208	969396402	/nfs/dbraw/zinc/39/64/02/969396402.db2.gz	VVINUBUPUYPDKC-BPLDGKMQSA-N	1	0	351.472	1.736	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cn2ccc(C)n2)C1	ZINC001193297656	969622643	/nfs/dbraw/zinc/62/26/43/969622643.db2.gz	XDXZVIFGDMTERH-CGTJXYLNSA-N	1	0	350.507	1.959	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cc(OC)no2)C1	ZINC001193353351	969649024	/nfs/dbraw/zinc/64/90/24/969649024.db2.gz	CXVFUTUXYSZWNK-HZPDHXFCSA-N	1	0	353.463	1.748	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1O)OCC	ZINC001193422459	969698424	/nfs/dbraw/zinc/69/84/24/969698424.db2.gz	RTVHYRRBNKMIOH-KURKYZTESA-N	1	0	364.490	1.033	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCOc2ccc(C)c(C)c2)C1	ZINC001193515010	969732545	/nfs/dbraw/zinc/73/25/45/969732545.db2.gz	SRLJLEPSFDAPFF-RTBURBONSA-N	1	0	362.470	1.436	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2ccccn2)C1	ZINC001193612902	969766918	/nfs/dbraw/zinc/76/69/18/969766918.db2.gz	PQFXUDIPXSNGCL-QZTJIDSGSA-N	1	0	369.469	1.993	20	30		FDEDRO
C[NH+]1CCN(c2cncc(C(=O)Nc3n[nH]c4cccc(C#N)c43)c2)CC1	ZINC001193938234	969908081	/nfs/dbraw/zinc/90/80/81/969908081.db2.gz	PRKQYTOSGLILNS-UHFFFAOYSA-N	1	0	361.409	1.834	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(NC(C)=O)n2)C1	ZINC001194375557	970136265	/nfs/dbraw/zinc/13/62/65/970136265.db2.gz	KMHGFEXISNVOIW-UKRRQHHQSA-N	1	0	368.503	1.847	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nn(C)c2Cl)C1	ZINC001194424099	970167061	/nfs/dbraw/zinc/16/70/61/970167061.db2.gz	LOIDQJOYRRUUAT-KCPJHIHWSA-N	1	0	354.882	1.440	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N(CC)[C@@H]2CC[N@H+](C)C2)ccc1F	ZINC000855360944	970314584	/nfs/dbraw/zinc/31/45/84/970314584.db2.gz	KJOFMGAKCPOCPZ-CQSZACIVSA-N	1	0	369.462	1.456	20	30		FDEDRO
COC(=O)N1CCC([C@H](C)[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000776811027	970336175	/nfs/dbraw/zinc/33/61/75/970336175.db2.gz	MJRJXGCIIMSWHO-WMLDXEAASA-N	1	0	361.442	1.754	20	30		FDEDRO
C=CC[NH+](CC=C)CCN1CCN(S(=O)(=O)C2CCC(=O)CC2)CC1	ZINC001194790105	970399099	/nfs/dbraw/zinc/39/90/99/970399099.db2.gz	GVXHGVFATVHLMS-UHFFFAOYSA-N	1	0	369.531	1.120	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)C1	ZINC001194881215	970493185	/nfs/dbraw/zinc/49/31/85/970493185.db2.gz	LMMMVCVRSFMYCA-IYWMVGAKSA-N	1	0	358.482	1.619	20	30		FDEDRO
C[NH+](C)C1(CC(=O)N[C@@H]2CN(Cc3ccccc3C#N)C[C@H]2O)CCCC1	ZINC001195006880	970612493	/nfs/dbraw/zinc/61/24/93/970612493.db2.gz	RIMLEVSQBSYTSA-RTBURBONSA-N	1	0	370.497	1.484	20	30		FDEDRO
C=CC[NH+](CC=C)CCN1CCN(S(=O)(=O)CC[Si](C)(C)C)CC1	ZINC001195067343	970655706	/nfs/dbraw/zinc/65/57/06/970655706.db2.gz	ZLINHNAHVGZWHV-UHFFFAOYSA-N	1	0	373.639	1.946	20	30		FDEDRO
CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC(=O)N(CC)C[C@H](C)C#N)C1	ZINC000776827235	970656659	/nfs/dbraw/zinc/65/66/59/970656659.db2.gz	STVFRUDXUJRYTA-PMPSAXMXSA-N	1	0	352.479	1.841	20	30		FDEDRO
C[NH+](C)[C@@H]1C[C@@H](NS(=O)(=O)Cc2cc(C#N)ccc2F)C12CCC2	ZINC001195096387	970683209	/nfs/dbraw/zinc/68/32/09/970683209.db2.gz	AQPXPUXUOZNKSA-HZPDHXFCSA-N	1	0	351.447	1.990	20	30		FDEDRO
C=CCCOc1ccc(C(=O)N[C@H](Cc2cncn2C)C(=O)OC)cc1	ZINC001195140800	970718403	/nfs/dbraw/zinc/71/84/03/970718403.db2.gz	DIGNAAYRSWSSAQ-QGZVFWFLSA-N	1	0	357.410	1.889	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCN(C(=O)C(C)C)CC2)C1	ZINC001195181787	970727762	/nfs/dbraw/zinc/72/77/62/970727762.db2.gz	NVXWSRIZUJXVDC-CGTJXYLNSA-N	1	0	365.518	1.397	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2OCCc3ccccc32)C1	ZINC001197935228	972561681	/nfs/dbraw/zinc/56/16/81/972561681.db2.gz	NOHNJCKFRTVFOS-QRVBRYPASA-N	1	0	360.454	1.054	20	30		FDEDRO
C#CCC1([NH2+]Cc2nc3oc(C)c(C(=O)OCC)c3c(N)n2)CCOCC1	ZINC001197911243	972575544	/nfs/dbraw/zinc/57/55/44/972575544.db2.gz	LEDKXZBWNLNCRS-UHFFFAOYSA-N	1	0	372.425	1.952	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1O	ZINC001197950199	972589846	/nfs/dbraw/zinc/58/98/46/972589846.db2.gz	WUJXZMYSONBUOR-HZPDHXFCSA-N	1	0	350.488	1.013	20	30		FDEDRO
COc1ccc(C=NNC(=S)NCCC[NH+](C)C)cc1OC1CC1	ZINC000863092942	972665178	/nfs/dbraw/zinc/66/51/78/972665178.db2.gz	QLKFORWRFFLWFL-UHFFFAOYSA-N	1	0	350.488	1.986	20	30		FDEDRO
CN(CCC[NH+](C)C)Cc1ccc(C(=O)NC2(C#N)CCOCC2)cc1	ZINC001198036886	972715987	/nfs/dbraw/zinc/71/59/87/972715987.db2.gz	QATGYHWBYRZADC-UHFFFAOYSA-N	1	0	358.486	1.873	20	30		FDEDRO
CCCCCCCCC(=O)N[C@@H]1CN([C@@H](CCCC)C(N)=O)C[C@H]1O	ZINC001198087611	972740112	/nfs/dbraw/zinc/74/01/12/972740112.db2.gz	GPSPGBADIWXULH-IXDOHACOSA-N	1	0	355.523	1.942	20	30		FDEDRO
C=CCc1cc(C[NH+]2CCC(n3cc(C(N)=O)nn3)CC2)c(O)c(OC)c1	ZINC000863301293	972777346	/nfs/dbraw/zinc/77/73/46/972777346.db2.gz	VIBFQQWIELDIGW-UHFFFAOYSA-N	1	0	371.441	1.657	20	30		FDEDRO
N#CCc1cccc2c1CCN(CN1C[C@]3(C[NH+]4CCC3CC4)OC1=O)C2	ZINC000863336819	972823640	/nfs/dbraw/zinc/82/36/40/972823640.db2.gz	VWMOALJFKHIHFE-NRFANRHFSA-N	1	0	366.465	1.985	20	30		FDEDRO
Cc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C#N)c2)cn1	ZINC001198313847	972979399	/nfs/dbraw/zinc/97/93/99/972979399.db2.gz	HSSSOWVIIXYTOO-UHFFFAOYSA-N	1	0	371.466	1.814	20	30		FDEDRO
COc1ccc(N2CCN(CCC[NH2+]C[C@H](O)CC3(C#N)CC3)CC2)cc1	ZINC000863546673	973002214	/nfs/dbraw/zinc/00/22/14/973002214.db2.gz	DPFHRICDRDYPMO-LJQANCHMSA-N	1	0	372.513	1.852	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)C2CCCCC2)C1	ZINC001198345455	973003465	/nfs/dbraw/zinc/00/34/65/973003465.db2.gz	KDRVJXLJQKWOOT-QZTJIDSGSA-N	1	0	365.518	1.591	20	30		FDEDRO
COC(=O)c1cc(C[NH2+]C[C@@H](O)COc2ccccc2C#N)ccc1OC	ZINC000863550145	973004229	/nfs/dbraw/zinc/00/42/29/973004229.db2.gz	ZILRRDRDLBTDLW-MRXNPFEDSA-N	1	0	370.405	1.883	20	30		FDEDRO
CN(CCC[NH2+]C[C@H](O)CC1(C#N)CCOCC1)C(=O)OC(C)(C)C	ZINC000863552224	973009477	/nfs/dbraw/zinc/00/94/77/973009477.db2.gz	WLPXZQHJUYFHGQ-OAHLLOKOSA-N	1	0	355.479	1.904	20	30		FDEDRO
CC[C@@H]1[C@@H]([NH2+]C[C@H](O)CN(C)CCC#N)CCN1C(=O)OC(C)(C)C	ZINC000863575121	973026464	/nfs/dbraw/zinc/02/64/64/973026464.db2.gz	DXAIDGOWQVAKIO-HRCADAONSA-N	1	0	354.495	1.570	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC([NH2+]CC#Cc2ccc(F)cc2)CC1	ZINC001202509595	973035913	/nfs/dbraw/zinc/03/59/13/973035913.db2.gz	CMZXBUPZKHHLBO-MOPGFXCFSA-N	1	0	371.456	1.482	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000645153520	1014087150	/nfs/dbraw/zinc/08/71/50/1014087150.db2.gz	CNCDMBRMXZBNQB-QKLQHJQFSA-N	1	0	373.497	1.869	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(OCCOC)c2)C1	ZINC001198983416	973781414	/nfs/dbraw/zinc/78/14/14/973781414.db2.gz	VKYKWPCUNJUDTE-KFKAGJAMSA-N	1	0	362.470	1.841	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)C[C@H]2O)CCCCC1	ZINC001198944090	973783446	/nfs/dbraw/zinc/78/34/46/973783446.db2.gz	AFHHRYJGYSLQJJ-QZTJIDSGSA-N	1	0	360.502	1.651	20	30		FDEDRO
CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC#Cc2ccccc2)C1)C1CCCC1	ZINC001198945041	973786894	/nfs/dbraw/zinc/78/68/94/973786894.db2.gz	UCIJKYHYBUNNEP-NJYVYQBISA-N	1	0	370.493	1.795	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](CCCOC(C)C)C[C@H]2O)CCCCC1	ZINC001199278282	974160861	/nfs/dbraw/zinc/16/08/61/974160861.db2.gz	WIYKZDAWIWFBLI-QZTJIDSGSA-N	1	0	350.503	1.937	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)CC1	ZINC000865194339	974174670	/nfs/dbraw/zinc/17/46/70/974174670.db2.gz	VGLOTVDFUXCFTJ-LJQANCHMSA-N	1	0	367.490	1.779	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@]23C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C3)CC1	ZINC000865198292	974178041	/nfs/dbraw/zinc/17/80/41/974178041.db2.gz	JFDSDHFRSXAQRT-TYILLQQXSA-N	1	0	362.474	1.784	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCCCC2CCOCC2)C[C@H]1O	ZINC001199318392	974185885	/nfs/dbraw/zinc/18/58/85/974185885.db2.gz	SOCHITXODMKJOG-CGTJXYLNSA-N	1	0	354.491	1.336	20	30		FDEDRO
C=C(Cl)C[C@H]1NC(=O)N(Cc2ccnc(N3CC[NH+](C)CC3)c2)C1=O	ZINC000865297630	974216737	/nfs/dbraw/zinc/21/67/37/974216737.db2.gz	ACZCYVCMOBTANO-CQSZACIVSA-N	1	0	363.849	1.396	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3ccnn3)c2)C1	ZINC001199465735	974278393	/nfs/dbraw/zinc/27/83/93/974278393.db2.gz	BJDVQEGOVPGMMB-BMGDILEWSA-N	1	0	355.442	1.397	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cccc(F)c2F)C1	ZINC001199489732	974297038	/nfs/dbraw/zinc/29/70/38/974297038.db2.gz	MWLMDGOHETUZNV-HZPDHXFCSA-N	1	0	354.397	1.261	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]2O)CCCC1	ZINC001199566868	974372231	/nfs/dbraw/zinc/37/22/31/974372231.db2.gz	GYFYFXGFIMKZAX-BRWVUGGUSA-N	1	0	363.502	1.201	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(C(F)(F)F)cc(C#N)n2)CC1	ZINC000865618857	974387166	/nfs/dbraw/zinc/38/71/66/974387166.db2.gz	IVEDBNVDFHIXSH-CQSZACIVSA-N	1	0	367.375	1.715	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(C1CC1)C1CC1	ZINC001110539342	974441228	/nfs/dbraw/zinc/44/12/28/974441228.db2.gz	OVPWLUDAJMYAKT-KURKYZTESA-N	1	0	355.482	1.426	20	30		FDEDRO
C=CCOc1ccc(C[NH2+]C[C@]23COCCN2C(=O)COC3)cc1Cl	ZINC000865798274	974499706	/nfs/dbraw/zinc/49/97/06/974499706.db2.gz	ROHGWTUTGAVFBW-GOSISDBHSA-N	1	0	366.845	1.622	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccc(OC)cc1	ZINC001110552231	974755484	/nfs/dbraw/zinc/75/54/84/974755484.db2.gz	RNIGMNNRTSYNJO-QOJCHSLYSA-N	1	0	356.466	1.998	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCCOC(C)C)C1	ZINC001200527902	974806532	/nfs/dbraw/zinc/80/65/32/974806532.db2.gz	CFQWFTAZXHXACW-OTWHNJEPSA-N	1	0	368.518	1.990	20	30		FDEDRO
C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccncc2)CCCO1	ZINC001200529185	974809022	/nfs/dbraw/zinc/80/90/22/974809022.db2.gz	SKUUAGGINJVWLK-OTWHNJEPSA-N	1	0	359.470	1.942	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]CCCO[C@@H]2CCOC2)CC1	ZINC001200636019	974851551	/nfs/dbraw/zinc/85/15/51/974851551.db2.gz	DYKQGIXKRUPKRH-QRVBRYPASA-N	1	0	366.502	1.744	20	30		FDEDRO
C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)CCCO1	ZINC001200721055	974882235	/nfs/dbraw/zinc/88/22/35/974882235.db2.gz	FUSLGTMCLWVRIB-KSZLIROESA-N	1	0	362.474	1.281	20	30		FDEDRO
N#Cc1ccc(NC(=S)NCC[N@H+]2CC[C@@H](O)C2)c(Br)c1	ZINC001201134225	974963999	/nfs/dbraw/zinc/96/39/99/974963999.db2.gz	SESKNWYADPZIKG-LLVKDONJSA-N	1	0	369.288	1.674	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)CC1	ZINC001201224242	974988324	/nfs/dbraw/zinc/98/83/24/974988324.db2.gz	PQZLLTJRJKGSTM-RTBURBONSA-N	1	0	367.493	1.900	20	30		FDEDRO
COC(=O)CCN(CCC[NH+](C)C)S(=O)(=O)c1ccc(C)c(C#N)c1	ZINC001201304116	975001387	/nfs/dbraw/zinc/00/13/87/975001387.db2.gz	XVAYSIMKBRCXRA-UHFFFAOYSA-N	1	0	367.471	1.372	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnn1CC(F)F)C2	ZINC001110564453	975047085	/nfs/dbraw/zinc/04/70/85/975047085.db2.gz	DRIXIWYSGVTMAO-MCIONIFRSA-N	1	0	354.401	1.686	20	30		FDEDRO
C[N@@H+]1C[C@H](C(=O)N2CCCO[C@H](CNCC#N)C2)[C@@H](c2ccccc2)C1	ZINC001201454773	975054744	/nfs/dbraw/zinc/05/47/44/975054744.db2.gz	RWRRRTURILGURQ-QRVBRYPASA-N	1	0	356.470	1.062	20	30		FDEDRO
C[C@]1(c2ccccc2)C[C@H]1C(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1	ZINC001201701006	975122950	/nfs/dbraw/zinc/12/29/50/975122950.db2.gz	GFWITTFYSRVSGX-FXAWDEMLSA-N	1	0	354.454	1.185	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)C[C@@H]2C[C@H]2C2CC2)CC1	ZINC001201702295	975123744	/nfs/dbraw/zinc/12/37/44/975123744.db2.gz	ZZFHWDYJGWCUAV-HOCLYGCPSA-N	1	0	362.474	1.015	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2C[C@]2(C)c2ccccc2)CC1	ZINC001201712155	975127888	/nfs/dbraw/zinc/12/78/88/975127888.db2.gz	KVXVGRBCYKUSMD-XWFZLUIHSA-N	1	0	367.493	1.683	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCO[C@H]2CC)CC1	ZINC001201722110	975130763	/nfs/dbraw/zinc/13/07/63/975130763.db2.gz	UZYZGYHULAYSQW-MSOLQXFVSA-N	1	0	365.518	1.807	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000847406848	975586040	/nfs/dbraw/zinc/58/60/40/975586040.db2.gz	AOBDCXOHLIOCCY-LJQANCHMSA-N	1	0	353.466	1.497	20	30		FDEDRO
C=CCCC[N@@H+](C)CC(=O)NN1C(=O)N[C@@](CC)(c2ccccc2)C1=O	ZINC000121127990	975819461	/nfs/dbraw/zinc/81/94/61/975819461.db2.gz	QLJXIBKVSAMNTK-IBGZPJMESA-N	1	0	358.442	1.773	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)N[C@H](CC)[C@H]1CN(Cc2ccccc2)CCO1	ZINC000645369346	1014287843	/nfs/dbraw/zinc/28/78/43/1014287843.db2.gz	BBSNVGWDNLGKRP-VAMGGRTRSA-N	1	0	373.497	1.740	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000866667411	975889307	/nfs/dbraw/zinc/88/93/07/975889307.db2.gz	LKCDTDXHOLJUOC-OKYOBFRVSA-N	1	0	357.454	1.991	20	30		FDEDRO
C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC[C@@H]1CC[N@H+](C)C1	ZINC000847823165	976070264	/nfs/dbraw/zinc/07/02/64/976070264.db2.gz	DDHUPHCVTRFELN-ZFWWWQNUSA-N	1	0	365.455	1.110	20	30		FDEDRO
C[C@@H](NS(=O)(=O)c1cccc(Br)c1C#N)C1CC[NH2+]CC1	ZINC000866811136	976085947	/nfs/dbraw/zinc/08/59/47/976085947.db2.gz	KFEQRKYSJZYMKT-SNVBAGLBSA-N	1	0	372.288	1.987	20	30		FDEDRO
C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1cc(F)cc(C#N)c1	ZINC000867500868	976260456	/nfs/dbraw/zinc/26/04/56/976260456.db2.gz	FVQMTHUUXBUHEX-ZDUSSCGKSA-N	1	0	356.467	1.248	20	30		FDEDRO
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]([NH3+])CCCCC#N	ZINC000848427295	976728562	/nfs/dbraw/zinc/72/85/62/976728562.db2.gz	VKAWGIOGRGPTCE-AWEZNQCLSA-N	1	0	367.833	1.958	20	30		FDEDRO
C[N@H+](C[C@@H]1CCCOC1)CN1CC(=O)N(Cc2ccccc2C#N)C1=O	ZINC000107670040	976889435	/nfs/dbraw/zinc/88/94/35/976889435.db2.gz	NCQMSGJSKMWYJG-HNNXBMFYSA-N	1	0	356.426	1.638	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3cc[nH]cc-3c1=O)C2	ZINC001110604604	976923495	/nfs/dbraw/zinc/92/34/95/976923495.db2.gz	BKNSYIKNJGKVBJ-XWIAVFTESA-N	1	0	368.437	1.461	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCCCNC(=O)c1cccs1	ZINC000867943581	977121912	/nfs/dbraw/zinc/12/19/12/977121912.db2.gz	ZLLCKRLHNWVDSC-QGZVFWFLSA-N	1	0	368.462	1.743	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCN(Cc2ccccn2)CC1	ZINC000867961331	977144688	/nfs/dbraw/zinc/14/46/88/977144688.db2.gz	VTFVHJZGOPDQDJ-HXUWFJFHSA-N	1	0	361.449	1.484	20	30		FDEDRO
CNC(=O)C[C@H](NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)c1ccccc1	ZINC000867976384	977160203	/nfs/dbraw/zinc/16/02/03/977160203.db2.gz	ZZFKEIUJXHVJBT-ICSRJNTNSA-N	1	0	362.433	1.739	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCc2cc(Cl)nnc2C1	ZINC000867981305	977166094	/nfs/dbraw/zinc/16/60/94/977166094.db2.gz	MENRLNDWSIRPBA-KRWDZBQOSA-N	1	0	353.813	1.773	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCCN1C[C@H]2CCCCN2C1=O	ZINC000867985683	977170956	/nfs/dbraw/zinc/17/09/56/977170956.db2.gz	LKDAMWFCXUDXLX-SJLPKXTDSA-N	1	0	367.453	1.151	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C	ZINC000867997769	977178907	/nfs/dbraw/zinc/17/89/07/977178907.db2.gz	JIJSHPMEPVYWQT-ILXRZTDVSA-N	1	0	355.479	1.539	20	30		FDEDRO
CNC(NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F)=[NH+]C	ZINC000848988458	977285890	/nfs/dbraw/zinc/28/58/90/977285890.db2.gz	FONHGZABFIZCCY-NSHDSACASA-N	1	0	367.416	1.265	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@H](O)c1cc2ccccc2s1	ZINC000848994986	977286986	/nfs/dbraw/zinc/28/69/86/977286986.db2.gz	XBOMNKVYBQSICW-HNNXBMFYSA-N	1	0	362.499	1.432	20	30		FDEDRO
CN(C)C(NCc1ccccc1)=[NH+]C[C@H](O)COc1ccc2c(c1)OCO2	ZINC000849068528	977300972	/nfs/dbraw/zinc/30/09/72/977300972.db2.gz	NROIQDKTWOYKLK-INIZCTEOSA-N	1	0	371.437	1.862	20	30		FDEDRO
C[NH+]=C(NCC1(N2CCN(c3ccccc3)CC2)CCOCC1)NC1CC1	ZINC000849109777	977320493	/nfs/dbraw/zinc/32/04/93/977320493.db2.gz	HHBLVKPDTOROOT-UHFFFAOYSA-N	1	0	371.529	1.685	20	30		FDEDRO
Cc1ncsc1CCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000849114938	977327650	/nfs/dbraw/zinc/32/76/50/977327650.db2.gz	ZEYDULRXVLFVKU-ZDUSSCGKSA-N	1	0	365.503	1.875	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)NC2CCN(c3ccccc3C#N)CC2)C1	ZINC000868284913	977444188	/nfs/dbraw/zinc/44/41/88/977444188.db2.gz	YOOLWXVUHQOSFY-GOSISDBHSA-N	1	0	371.485	1.547	20	30		FDEDRO
C[NH2+]Cc1cccc(NC(=O)C(=O)N(C)CCc2cccc(C#N)c2)c1	ZINC000868299523	977468871	/nfs/dbraw/zinc/46/88/71/977468871.db2.gz	GUCNEPRIGKJGKN-UHFFFAOYSA-N	1	0	350.422	1.917	20	30		FDEDRO
Cc1cc(NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)nn1CCC#N	ZINC000849571029	977772343	/nfs/dbraw/zinc/77/23/43/977772343.db2.gz	GDXUFRMSYZEFOY-JKSUJKDBSA-N	1	0	355.446	1.513	20	30		FDEDRO
C#C[C@H](NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)[C@H]1CCCO1	ZINC000849574794	977776958	/nfs/dbraw/zinc/77/69/58/977776958.db2.gz	ADTPALNMTNSIBM-YDZRNGNQSA-N	1	0	358.486	1.531	20	30		FDEDRO
C#CCCN(CCOC)C(=O)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1	ZINC000850709988	978636745	/nfs/dbraw/zinc/63/67/45/978636745.db2.gz	OQMXQOQNOOLASI-UHFFFAOYSA-N	1	0	363.502	1.208	20	30		FDEDRO
CS(=O)(=O)CCOc1ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc1	ZINC000851641278	978982457	/nfs/dbraw/zinc/98/24/57/978982457.db2.gz	JQEIFFFEAYKNGI-HNNXBMFYSA-N	1	0	353.444	1.460	20	30		FDEDRO
CCOP(=O)(OCC)[C@H](O)C[NH+]1CCN(c2ncccc2C#N)CC1	ZINC000851714537	979011531	/nfs/dbraw/zinc/01/15/31/979011531.db2.gz	SHDMGXWDBDDIAL-HNNXBMFYSA-N	1	0	368.374	1.660	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1	ZINC000968005047	1014545987	/nfs/dbraw/zinc/54/59/87/1014545987.db2.gz	FVCMCYUHEPMNEV-KURKYZTESA-N	1	0	363.502	1.511	20	30		FDEDRO
C#CCC1(O)CCN([C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000880481733	979221755	/nfs/dbraw/zinc/22/17/55/979221755.db2.gz	ZWXAGXIMDLWRRG-QUCCMNQESA-N	1	0	369.509	1.616	20	30		FDEDRO
N#CC1(c2ccccn2)CC[NH+](C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852016026	979275213	/nfs/dbraw/zinc/27/52/13/979275213.db2.gz	SNEPDLFHTGPQGL-FQEVSTJZSA-N	1	0	350.422	1.312	20	30		FDEDRO
C#C[C@](C)(CC)[NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1	ZINC000852096406	979349259	/nfs/dbraw/zinc/34/92/59/979349259.db2.gz	BGXXZSZPSCMJIB-RHSMWYFYSA-N	1	0	368.524	1.655	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)Nc2cc(C#N)c(F)cc2F)CC1(C)C	ZINC000880712094	979404619	/nfs/dbraw/zinc/40/46/19/979404619.db2.gz	BPZOTGNVFLEUCI-UHFFFAOYSA-N	1	0	351.401	1.984	20	30		FDEDRO
CN1CC[NH+](CCCCNC(=O)Nc2cc(C#N)c(F)cc2F)CC1	ZINC000880715002	979405571	/nfs/dbraw/zinc/40/55/71/979405571.db2.gz	GTKBLQWXUQVKFQ-UHFFFAOYSA-N	1	0	351.401	1.986	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC(N(CC)C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)c1	ZINC000968020446	1014582679	/nfs/dbraw/zinc/58/26/79/1014582679.db2.gz	YTXGGYFTUQEYHH-RBUKOAKNSA-N	1	0	368.481	1.466	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)CC1	ZINC000881118631	979687635	/nfs/dbraw/zinc/68/76/35/979687635.db2.gz	DUJDDLPYDDSYEO-UHFFFAOYSA-N	1	0	370.500	1.386	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000881869234	980234830	/nfs/dbraw/zinc/23/48/30/980234830.db2.gz	VRAOVTKOJBBYJN-CABCVRRESA-N	1	0	351.472	1.426	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)cc1	ZINC000645620936	1014642735	/nfs/dbraw/zinc/64/27/35/1014642735.db2.gz	GIYASPNJIGFFFW-CZUORRHYSA-N	1	0	371.441	1.095	20	30		FDEDRO
C[N@@H+]1CCCN(CCCNS(=O)(=O)c2cccc(F)c2C#N)CC1	ZINC000882521570	980698225	/nfs/dbraw/zinc/69/82/25/980698225.db2.gz	INOUQFHSVOLACV-UHFFFAOYSA-N	1	0	354.451	1.003	20	30		FDEDRO
C[NH+](C)CCN1CCN(c2nccc(Oc3cccc(C#N)c3)n2)CC1=O	ZINC000882523209	980698715	/nfs/dbraw/zinc/69/87/15/980698715.db2.gz	LGBDYATWFBJXBX-UHFFFAOYSA-N	1	0	366.425	1.351	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cc1C#N	ZINC000882619304	980759933	/nfs/dbraw/zinc/75/99/33/980759933.db2.gz	FQDWQJDUFLOLQM-ZDUSSCGKSA-N	1	0	357.439	1.556	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CCCCC1	ZINC000882635210	980772363	/nfs/dbraw/zinc/77/23/63/980772363.db2.gz	RNIIXJHIMHDRCC-LJQANCHMSA-N	1	0	361.530	1.873	20	30		FDEDRO
N#Cc1sc(N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)nc1Cl	ZINC000882814656	981706562	/nfs/dbraw/zinc/70/65/62/981706562.db2.gz	QPDVYROOFRVUEE-UHFFFAOYSA-N	1	0	353.879	1.978	20	30		FDEDRO
CC(=O)c1ccc(C#N)cc1N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000882987691	981862478	/nfs/dbraw/zinc/86/24/78/981862478.db2.gz	MQCMXODSUMPTOR-GOSISDBHSA-N	1	0	356.470	1.969	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2OCC[C@H]2C)CC1	ZINC001202553440	982072031	/nfs/dbraw/zinc/07/20/31/982072031.db2.gz	YVORUAGMKFLJNK-NUJGCVRESA-N	1	0	365.518	1.805	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)N[C@H]2CC[N@@H+](CCCOCC)C[C@H]2C)CC1	ZINC000883420701	982131811	/nfs/dbraw/zinc/13/18/11/982131811.db2.gz	RNDVMLHGEMSZRS-MSOLQXFVSA-N	1	0	365.518	1.683	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CC1	ZINC000858723298	982246075	/nfs/dbraw/zinc/24/60/75/982246075.db2.gz	MHVLIVVQFJBODO-GOSISDBHSA-N	1	0	360.502	1.564	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)n1	ZINC000883611024	982308406	/nfs/dbraw/zinc/30/84/06/982308406.db2.gz	MIHZPCKVUVPYMY-OAHLLOKOSA-N	1	0	355.442	1.324	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(-c3ccccc3)nn1)C2	ZINC001110764458	982465027	/nfs/dbraw/zinc/46/50/27/982465027.db2.gz	VSGSLXROTGCQDM-LMMKCTJWSA-N	1	0	367.453	1.805	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]CCOC[C@@H]2CCCCO2)CC1	ZINC001202559867	982558873	/nfs/dbraw/zinc/55/88/73/982558873.db2.gz	RGRNRUVPRCFBMN-OTWHNJEPSA-N	1	0	366.502	1.744	20	30		FDEDRO
N#CC1(C[C@H](O)CN2CCOC[C@@H]2C[C@@H](O)c2ccco2)CCOCC1	ZINC000859165274	982589990	/nfs/dbraw/zinc/58/99/90/982589990.db2.gz	GKCDPDGQHDMXLI-YESZJQIVSA-N	1	0	364.442	1.475	20	30		FDEDRO
CCCCCCCNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1	ZINC000859295214	982691224	/nfs/dbraw/zinc/69/12/24/982691224.db2.gz	YZTYKYUHMNWROQ-UHFFFAOYSA-N	1	0	353.507	1.644	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)NCCCCCC)C1	ZINC000133420164	982695010	/nfs/dbraw/zinc/69/50/10/982695010.db2.gz	MTQOVDOTEVMMBA-JKSUJKDBSA-N	1	0	366.506	1.795	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)OCCC[NH+](CC)CC)c1	ZINC000800123416	982752569	/nfs/dbraw/zinc/75/25/69/982752569.db2.gz	VJQKGOYIZRAGFW-UHFFFAOYSA-N	1	0	352.456	1.487	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1cccc(C(=O)N3CCOCC3)c1)C2	ZINC000884072867	982820867	/nfs/dbraw/zinc/82/08/67/982820867.db2.gz	QXWFUIPQCOSQLB-LFDOHDQPSA-N	1	0	368.437	1.237	20	30		FDEDRO
COCCOc1cc(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)ccc1OC	ZINC000884081763	982837586	/nfs/dbraw/zinc/83/75/86/982837586.db2.gz	JMYYTHYTNQJQFY-SHYRYGCCSA-N	1	0	359.426	1.798	20	30		FDEDRO
COCCOc1cc(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)ccc1OC	ZINC000884081762	982838190	/nfs/dbraw/zinc/83/81/90/982838190.db2.gz	JMYYTHYTNQJQFY-BIWSTMPVSA-N	1	0	359.426	1.798	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCC(=O)N1CCCc3ccccc31)C2	ZINC000884100855	982865478	/nfs/dbraw/zinc/86/54/78/982865478.db2.gz	HJEIVZIQAYWAGN-LFDOHDQPSA-N	1	0	352.438	1.221	20	30		FDEDRO
C[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1cccc(N2CCOC2=O)c1	ZINC000884109178	982879510	/nfs/dbraw/zinc/87/95/10/982879510.db2.gz	XWOIXQFUPUMHGU-JWBFORJRSA-N	1	0	368.437	1.960	20	30		FDEDRO
COC(=O)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)Cc1cccc(F)c1	ZINC000884128787	982910750	/nfs/dbraw/zinc/91/07/50/982910750.db2.gz	NYLGCLJQFSIEOM-ZZPBVIFJSA-N	1	0	373.428	1.413	20	30		FDEDRO
CN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[C@@H]1CCN(c2ccccc2F)C1=O	ZINC000884137454	982920198	/nfs/dbraw/zinc/92/01/98/982920198.db2.gz	MXHQCCCIMURLSU-WFXHLMOQSA-N	1	0	370.428	1.529	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCc3c(cnn3-c3ccccc3)C1)C2	ZINC000884167738	982942654	/nfs/dbraw/zinc/94/26/54/982942654.db2.gz	MYWYQYUEIWXIGS-LBKMDBTOSA-N	1	0	361.449	1.896	20	30		FDEDRO
Cc1cc(N2CCOCC2)ccc1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884194161	982970309	/nfs/dbraw/zinc/97/03/09/982970309.db2.gz	AUGUDRRXNXQGNL-LFDOHDQPSA-N	1	0	354.454	1.910	20	30		FDEDRO
Cc1nccn1-c1ncccc1CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884198373	982973624	/nfs/dbraw/zinc/97/36/24/982973624.db2.gz	UIYPKORSYVOPNM-WUJZJPHMSA-N	1	0	350.426	1.331	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C	ZINC000884223369	982997152	/nfs/dbraw/zinc/99/71/52/982997152.db2.gz	OYKFPPJDRHILDW-BQFCYCMXSA-N	1	0	373.497	1.706	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCN(c3ncccc3Cl)C1)C2	ZINC000884228530	983003451	/nfs/dbraw/zinc/00/34/51/983003451.db2.gz	RXPWMQXEPXXUEP-NTXUUIFSSA-N	1	0	359.861	1.569	20	30		FDEDRO
CNC(=O)c1ccn([C@@H]2CCC[N@H+](CCCC3(C#N)CCOCC3)C2)n1	ZINC000332156283	983005100	/nfs/dbraw/zinc/00/51/00/983005100.db2.gz	NYTCHSNBYPYHCE-MRXNPFEDSA-N	1	0	359.474	1.980	20	30		FDEDRO
C[C@@H](c1cccnc1)N1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1	ZINC000884236344	983014328	/nfs/dbraw/zinc/01/43/28/983014328.db2.gz	SCFLJUFVSSRMLE-VHJHTJHASA-N	1	0	353.470	1.426	20	30		FDEDRO
CCOC(=O)CCN(Cc1cccnc1)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884308552	983072905	/nfs/dbraw/zinc/07/29/05/983072905.db2.gz	VGLMEGGDBTZNJV-GNZRSQJKSA-N	1	0	370.453	1.503	20	30		FDEDRO
C[C@H](c1nccs1)N1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1	ZINC000884321242	983083108	/nfs/dbraw/zinc/08/31/08/983083108.db2.gz	JOXQNMLXFVDUFB-GBRKPNRJSA-N	1	0	359.499	1.488	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N[C@H](c1c(C)nn(C)c1C)C(F)(F)F	ZINC000884326432	983087233	/nfs/dbraw/zinc/08/72/33/983087233.db2.gz	SEVZIEWHNMGUEQ-GXFFZTMASA-N	1	0	362.352	1.203	20	30		FDEDRO
C=CC[C@@H]1N(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CCCC1(C)C	ZINC000332634915	983089859	/nfs/dbraw/zinc/08/98/59/983089859.db2.gz	FEZLPMWBCPSWSQ-SJORKVTESA-N	1	0	362.518	1.086	20	30		FDEDRO
C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884335231	983094075	/nfs/dbraw/zinc/09/40/75/983094075.db2.gz	NRXOFOWWEWMWFF-JJXOGSGTSA-N	1	0	368.481	1.804	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H]2CCc3ncnn32)[nH]1	ZINC001095329226	983146093	/nfs/dbraw/zinc/14/60/93/983146093.db2.gz	BKIKVHSTLKEIPA-VDERGJSUSA-N	1	0	351.414	1.000	20	30		FDEDRO
N#Cc1ccccc1N1CCC(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1	ZINC000884458584	983167182	/nfs/dbraw/zinc/16/71/82/983167182.db2.gz	ITANOVURSWZCGF-BATSVXPKSA-N	1	0	363.465	1.783	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)CN(C[N@@H+]3CC[C@@H]([C@@H]4CCCO4)C3)C2=O)cc1	ZINC000884482499	983184458	/nfs/dbraw/zinc/18/44/58/983184458.db2.gz	CCEKOUJSQZBUGX-MSOLQXFVSA-N	1	0	368.437	1.781	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O	ZINC000860686454	983484266	/nfs/dbraw/zinc/48/42/66/983484266.db2.gz	NSIHBXSILMUJFD-HNNXBMFYSA-N	1	0	362.405	1.299	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1	ZINC000118112891	983653278	/nfs/dbraw/zinc/65/32/78/983653278.db2.gz	VFZRHCOWDXYTKS-MRXNPFEDSA-N	1	0	357.454	1.874	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1	ZINC000861618024	983793495	/nfs/dbraw/zinc/79/34/95/983793495.db2.gz	RGVWDDALNSSVKL-BMFZPTHFSA-N	1	0	350.463	1.698	20	30		FDEDRO
O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1	ZINC000861713552	983857625	/nfs/dbraw/zinc/85/76/25/983857625.db2.gz	CLYCQLLVWMADSN-HOTGVXAUSA-N	1	0	352.356	1.724	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c(F)cc1C#N	ZINC000861774433	983913486	/nfs/dbraw/zinc/91/34/86/983913486.db2.gz	YUVGWQZQPVIFSS-STQMWFEESA-N	1	0	362.405	1.633	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1cccc2c1CC[NH2+]C2	ZINC000884838470	984862805	/nfs/dbraw/zinc/86/28/05/984862805.db2.gz	IPNWVEZZRPXZJF-UHFFFAOYSA-N	1	0	362.433	1.479	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2	ZINC000884855943	984893839	/nfs/dbraw/zinc/89/38/39/984893839.db2.gz	VHQJTIQPISRZON-HNNXBMFYSA-N	1	0	351.491	1.370	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1	ZINC000869190278	984934038	/nfs/dbraw/zinc/93/40/38/984934038.db2.gz	HOGRDTNVSAMQIV-RDTXWAMCSA-N	1	0	356.470	1.512	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1	ZINC000884894006	984940012	/nfs/dbraw/zinc/94/00/12/984940012.db2.gz	MIWUZGQWMQHXCZ-LJQANCHMSA-N	1	0	364.449	1.593	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1	ZINC000885161884	985213848	/nfs/dbraw/zinc/21/38/48/985213848.db2.gz	JGCCKVLSOCGWED-SFHVURJKSA-N	1	0	367.449	1.667	20	30		FDEDRO
C=CCN(CC1CCCCC1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F	ZINC000885280435	985284327	/nfs/dbraw/zinc/28/43/27/985284327.db2.gz	OYVONASKIWZQSE-HNNXBMFYSA-N	1	0	357.445	1.942	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1	ZINC000885859117	985705051	/nfs/dbraw/zinc/70/50/51/985705051.db2.gz	UPJLHAVYWKHULU-MRXNPFEDSA-N	1	0	372.469	1.578	20	30		FDEDRO
C#CCSCC(=O)OCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1	ZINC000885896563	985772073	/nfs/dbraw/zinc/77/20/73/985772073.db2.gz	JYPIVCMLPFYABO-UHFFFAOYSA-N	1	0	374.506	1.985	20	30		FDEDRO
CCOCCCNC(=O)C1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1	ZINC000885952196	985797330	/nfs/dbraw/zinc/79/73/30/985797330.db2.gz	ZHHNDPIYWIKWNS-KRWDZBQOSA-N	1	0	351.491	1.686	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1	ZINC000890252911	985831572	/nfs/dbraw/zinc/83/15/72/985831572.db2.gz	UHEUMHVWMYLOMY-KRWDZBQOSA-N	1	0	367.453	1.329	20	30		FDEDRO
CCOc1ccnc(N2CCC[N@H+](C[C@@H](O)CC3(C#N)CCC3)CC2)n1	ZINC000886044010	985847803	/nfs/dbraw/zinc/84/78/03/985847803.db2.gz	OHTOCGASTRMQMU-INIZCTEOSA-N	1	0	359.474	1.832	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)C(C)C	ZINC000890261303	985895875	/nfs/dbraw/zinc/89/58/75/985895875.db2.gz	SNQWJGNARCDZJX-OALUTQOASA-N	1	0	368.481	1.684	20	30		FDEDRO
C#CCN1CCC[C@H]([NH2+]Cc2ccccc2OCC(=O)NCC2CC2)C1	ZINC000886211682	985975780	/nfs/dbraw/zinc/97/57/80/985975780.db2.gz	VCCXBAWNCNNUHY-IBGZPJMESA-N	1	0	355.482	1.779	20	30		FDEDRO
C#CCOc1cccc(Cl)c1C[NH2+]CCc1nnc2c(=O)n(C)ccn12	ZINC000886283639	986020652	/nfs/dbraw/zinc/02/06/52/986020652.db2.gz	CLVZOWHVQYHOFX-UHFFFAOYSA-N	1	0	371.828	1.426	20	30		FDEDRO
Cc1cc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c[nH]c(C#N)c2)C3)n1	ZINC001095337363	986083131	/nfs/dbraw/zinc/08/31/31/986083131.db2.gz	RFXBMVVTXPXUBU-SQNIBIBYSA-N	1	0	352.442	1.735	20	30		FDEDRO
C#CC[C@H]1CC[N@@H+](CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)OC)C1	ZINC000886356356	986094730	/nfs/dbraw/zinc/09/47/30/986094730.db2.gz	YKHXADXUARUBHL-HNAYVOBHSA-N	1	0	367.449	1.713	20	30		FDEDRO
C#CC[C@H]1CC[N@@H+](CC(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)C1	ZINC000886356014	986095419	/nfs/dbraw/zinc/09/54/19/986095419.db2.gz	RYBCEHWKGJWODZ-MSOLQXFVSA-N	1	0	359.514	1.829	20	30		FDEDRO
C#CC[C@H]1CC[N@@H+](CC(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)C1	ZINC000886361454	986099907	/nfs/dbraw/zinc/09/99/07/986099907.db2.gz	IVKVRKRVORCMPB-INIZCTEOSA-N	1	0	352.442	1.871	20	30		FDEDRO
C#CCN(C(=O)C(=O)Nc1cc(OC)ccc1OC)C1CC[NH+](C)CC1	ZINC000886577519	986377416	/nfs/dbraw/zinc/37/74/16/986377416.db2.gz	LHQIMVCKWWLXAY-UHFFFAOYSA-N	1	0	359.426	1.198	20	30		FDEDRO
C#CCN(C(=O)c1[nH]nc(CC)c1Br)C1CC[NH+](C)CC1	ZINC000886577455	986377550	/nfs/dbraw/zinc/37/75/50/986377550.db2.gz	JBYPQUDUWOBGOY-UHFFFAOYSA-N	1	0	353.264	1.904	20	30		FDEDRO
C#CCN(C(=O)C[C@@H](NC(N)=O)c1ccccc1C)C1CC[NH+](C)CC1	ZINC000886585117	986389065	/nfs/dbraw/zinc/38/90/65/986389065.db2.gz	IUDYQTHFCWFBII-GOSISDBHSA-N	1	0	356.470	1.651	20	30		FDEDRO
C#CCN(C(=O)CCCNC(=O)NC1CCCCC1)C1CC[NH+](C)CC1	ZINC000886585395	986391376	/nfs/dbraw/zinc/39/13/76/986391376.db2.gz	VDRRDSDENQPTOD-UHFFFAOYSA-N	1	0	362.518	1.955	20	30		FDEDRO
C#CCN(C(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)C1CC[NH+](C)CC1	ZINC000886587394	986393000	/nfs/dbraw/zinc/39/30/00/986393000.db2.gz	URUQXFOWSGRACS-YWZLYKJASA-N	1	0	374.485	1.043	20	30		FDEDRO
C#CCN(C(=O)Cn1nc(-c2ccccc2)oc1=O)C1CC[NH+](C)CC1	ZINC000886587243	986393674	/nfs/dbraw/zinc/39/36/74/986393674.db2.gz	NWGPXRZTXRZGDO-UHFFFAOYSA-N	1	0	354.410	1.059	20	30		FDEDRO
C=CCC[C@H]([NH2+]Cc1nnc2c(=O)[nH]ccn12)[C@H]1Cc2ccccc2O1	ZINC000886705927	986489468	/nfs/dbraw/zinc/48/94/68/986489468.db2.gz	FLNSYPZOJUJPPC-GOEBONIOSA-N	1	0	351.410	1.846	20	30		FDEDRO
C=CCC1(O)CC[NH+](C[C@@H](O)COCc2ccc(OC)c(OC)c2)CC1	ZINC000886755204	986555159	/nfs/dbraw/zinc/55/51/59/986555159.db2.gz	BCBWTNLGCVTOLB-QGZVFWFLSA-N	1	0	365.470	1.984	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C2CC[NH2+]CC2)cc1	ZINC000870985463	986561636	/nfs/dbraw/zinc/56/16/36/986561636.db2.gz	DONYNABHZDZGBH-CYBMUJFWSA-N	1	0	351.472	1.269	20	30		FDEDRO
N#Cc1cccc([C@@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C(F)(F)F)c1	ZINC000871020541	986595404	/nfs/dbraw/zinc/59/54/04/986595404.db2.gz	XOAOBSZGBOGPST-DZGCQCFKSA-N	1	0	368.359	1.536	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)NC[C@@H]1C[NH2+]CCC1(F)F	ZINC000886941458	986753541	/nfs/dbraw/zinc/75/35/41/986753541.db2.gz	FLMWJGSQGOZCAU-ZDUSSCGKSA-N	1	0	368.384	1.950	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c(C#N)c1	ZINC000871805010	987250499	/nfs/dbraw/zinc/25/04/99/987250499.db2.gz	KUANOEGYUISKSW-SJORKVTESA-N	1	0	363.483	1.774	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1Cc2ccccc2C[NH2+]1	ZINC000871810379	987257366	/nfs/dbraw/zinc/25/73/66/987257366.db2.gz	IBAGBLNLIQNDSE-MRXNPFEDSA-N	1	0	357.435	1.560	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CC(=O)c2ccccc2O1	ZINC000872233526	987532004	/nfs/dbraw/zinc/53/20/04/987532004.db2.gz	UCPYOGUQYUDLCM-HOTGVXAUSA-N	1	0	352.390	1.922	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H](O)CN(C)CCC#N)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000872235394	987533839	/nfs/dbraw/zinc/53/38/39/987533839.db2.gz	UJAQPMRQMMFPIF-NVXWUHKLSA-N	1	0	368.522	1.818	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21	ZINC000872239122	987535571	/nfs/dbraw/zinc/53/55/71/987535571.db2.gz	NZWQEMOZHSWYRL-MXASKKJJSA-N	1	0	364.287	1.883	20	30		FDEDRO
C#CC[C@H]1CCCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1	ZINC000825601697	987646541	/nfs/dbraw/zinc/64/65/41/987646541.db2.gz	BBUNZEKNCXQGMF-KRWDZBQOSA-N	1	0	355.486	1.778	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N(C)CCN(C)C2CC[NH+](C)CC2)c(C#N)c1	ZINC000872438855	987658907	/nfs/dbraw/zinc/65/89/07/987658907.db2.gz	IUDXKIIREMJSND-UHFFFAOYSA-N	1	0	364.515	1.513	20	30		FDEDRO
COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C)cc1C#N	ZINC000872488361	987713454	/nfs/dbraw/zinc/71/34/54/987713454.db2.gz	GHYSOBLTNQNKIV-UHFFFAOYSA-N	1	0	365.499	1.988	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)CN(C[N@@H+]3CC[C@H]4CSC[C@@H]4C3)C2=O)cc1	ZINC000872721276	988006026	/nfs/dbraw/zinc/00/60/26/988006026.db2.gz	HGHOWCOLCDIASN-IRXDYDNUSA-N	1	0	370.478	1.965	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C)c(-c2ncco2)c1	ZINC000293284832	988015086	/nfs/dbraw/zinc/01/50/86/988015086.db2.gz	GJTKLZGBSCMGTQ-UHFFFAOYSA-N	1	0	354.410	1.660	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)[C@@H]2CCCN2Cc2ccccn2)CC1	ZINC000365747780	988040381	/nfs/dbraw/zinc/04/03/81/988040381.db2.gz	FKACCCCLABSSKT-SFHVURJKSA-N	1	0	354.454	1.034	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(-c2nnc(CC)o2)c1	ZINC000293422800	988070133	/nfs/dbraw/zinc/07/01/33/988070133.db2.gz	QCACVOAWBNYQBR-UHFFFAOYSA-N	1	0	369.425	1.309	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(C)nn1-c1ccccc1F	ZINC000293426990	988072172	/nfs/dbraw/zinc/07/21/72/988072172.db2.gz	QLDMOJIBEBDHOU-UHFFFAOYSA-N	1	0	371.416	1.330	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC1	ZINC000872803122	988088214	/nfs/dbraw/zinc/08/82/14/988088214.db2.gz	LHNATOPAFIMPPI-UHFFFAOYSA-N	1	0	356.474	1.658	20	30		FDEDRO
CN1CC[NH+](C[C@@H]2CCCN(C(=O)c3c(F)cc(C#N)cc3F)C2)CC1	ZINC000365956151	988264001	/nfs/dbraw/zinc/26/40/01/988264001.db2.gz	BBFJXEKFFKOFED-AWEZNQCLSA-N	1	0	362.424	1.936	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)CCN1C1CC[NH+](C)CC1	ZINC000361105201	988274347	/nfs/dbraw/zinc/27/43/47/988274347.db2.gz	RRYKKZGQHXIPOP-OAHLLOKOSA-N	1	0	369.469	1.124	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC000872927760	988296340	/nfs/dbraw/zinc/29/63/40/988296340.db2.gz	ZLOJHZJKPPTDTG-SJORKVTESA-N	1	0	370.501	1.905	20	30		FDEDRO
O=C(C#Cc1ccc2c(c1)OCO2)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1	ZINC000361258282	988314397	/nfs/dbraw/zinc/31/43/97/988314397.db2.gz	OKACGCVEJNTLCN-SJORKVTESA-N	1	0	356.422	1.384	20	30		FDEDRO
CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC000873016856	988419476	/nfs/dbraw/zinc/41/94/76/988419476.db2.gz	RRGIKYWPOYUUDB-MRXNPFEDSA-N	1	0	358.490	1.905	20	30		FDEDRO
CC(C)C[N@H+](C)CCCNC(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC000873054371	988485229	/nfs/dbraw/zinc/48/52/29/988485229.db2.gz	PFVFXOACBNGETG-UHFFFAOYSA-N	1	0	358.490	1.763	20	30		FDEDRO
CCN1C(=O)[C@@H]2C[N@H+](Cc3ccc(N(C)CCC#N)cc3)CCN2C1=O	ZINC000362008631	988560870	/nfs/dbraw/zinc/56/08/70/988560870.db2.gz	FYRUXYMOQDRKGT-KRWDZBQOSA-N	1	0	355.442	1.505	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1	ZINC000873105599	988561839	/nfs/dbraw/zinc/56/18/39/988561839.db2.gz	ZHSYKYQJPSTYEU-FZMZJTMJSA-N	1	0	371.359	1.786	20	30		FDEDRO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1	ZINC000873106592	988565275	/nfs/dbraw/zinc/56/52/75/988565275.db2.gz	BJQIQIBSIJUOLR-CKFHNAJUSA-N	1	0	372.494	1.945	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1F	ZINC000873108685	988574413	/nfs/dbraw/zinc/57/44/13/988574413.db2.gz	ZYNMCWWLYALORB-ONGXEEELSA-N	1	0	358.295	1.231	20	30		FDEDRO
N#CCCN(C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1)c1ccccc1	ZINC000362080294	988575942	/nfs/dbraw/zinc/57/59/42/988575942.db2.gz	RSTIOONDJOJQFP-FUHWJXTLSA-N	1	0	354.454	1.924	20	30		FDEDRO
CCc1nc(CN2C[C@@H]3C[N@@H+](C[C@H](O)c4ccc(C#N)cc4)C[C@@H]3C2)no1	ZINC000366266342	988587468	/nfs/dbraw/zinc/58/74/68/988587468.db2.gz	GYFXYTBUCMYUBI-KSZLIROESA-N	1	0	367.453	1.601	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1	ZINC000299709568	988696350	/nfs/dbraw/zinc/69/63/50/988696350.db2.gz	UJMCMJMRHFTXJF-UHFFFAOYSA-N	1	0	368.481	1.672	20	30		FDEDRO
Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)cc1C	ZINC000366447698	988703127	/nfs/dbraw/zinc/70/31/27/988703127.db2.gz	USXMAESLHGHRJC-IAGOWNOFSA-N	1	0	368.437	1.145	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1	ZINC000295892179	988803115	/nfs/dbraw/zinc/80/31/15/988803115.db2.gz	AHKPKVKFZDBDQH-CQSZACIVSA-N	1	0	373.428	1.719	20	30		FDEDRO
N#Cc1cccc(CNC(=O)CN2CCC[C@@H](C[NH+]3CCOCC3)C2)c1	ZINC000363065169	988892439	/nfs/dbraw/zinc/89/24/39/988892439.db2.gz	UFKGKRLFHYIWRH-IBGZPJMESA-N	1	0	356.470	1.219	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C(=O)Nc3nc(C)cs3)C2)CC1	ZINC000363086725	988911821	/nfs/dbraw/zinc/91/18/21/988911821.db2.gz	GIRMOWGIKYGVPS-MRXNPFEDSA-N	1	0	374.510	1.974	20	30		FDEDRO
Cc1cccnc1NC(=O)[C@H]1CCC[N@@H+](CCC(=O)N(C)CCC#N)C1	ZINC000367486515	988954046	/nfs/dbraw/zinc/95/40/46/988954046.db2.gz	SALKHXBGHIKRQS-INIZCTEOSA-N	1	0	357.458	1.803	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1	ZINC000368193547	988982531	/nfs/dbraw/zinc/98/25/31/988982531.db2.gz	MIHALODZVRDUNJ-QGZVFWFLSA-N	1	0	355.442	1.766	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)NCCCC[NH+]2CCN(CC)CC2)cc1	ZINC000296159372	988998145	/nfs/dbraw/zinc/99/81/45/988998145.db2.gz	APQYNOJLFDXALX-UHFFFAOYSA-N	1	0	372.513	1.916	20	30		FDEDRO
C=CCNC(=O)CNC(=O)[C@H]1CC[N@H+](C[C@@H]2CCCc3ccccc32)C1	ZINC000368826412	989011194	/nfs/dbraw/zinc/01/11/94/989011194.db2.gz	QXMIYSVSEZRFHQ-ROUUACIJSA-N	1	0	355.482	1.847	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1C#N	ZINC000873699548	989015469	/nfs/dbraw/zinc/01/54/69/989015469.db2.gz	CSUNHNPBBLNPSZ-INIZCTEOSA-N	1	0	374.441	1.075	20	30		FDEDRO
CCCN1CC[NH+](C2CCN(CC(=O)N(CCC#N)CCC#N)CC2)CC1	ZINC000369156745	989032077	/nfs/dbraw/zinc/03/20/77/989032077.db2.gz	PUSVLTROZZKUCR-UHFFFAOYSA-N	1	0	374.533	1.134	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1	ZINC000363258026	989038335	/nfs/dbraw/zinc/03/83/35/989038335.db2.gz	COBXFWQETSJKDX-OKZBNKHCSA-N	1	0	352.438	1.231	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCn3c(CC(F)(F)F)nnc3C2)CC1	ZINC000369465122	989053903	/nfs/dbraw/zinc/05/39/03/989053903.db2.gz	STUQBTZKNJGILW-UHFFFAOYSA-N	1	0	372.395	1.559	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)CC1	ZINC000296250351	989071216	/nfs/dbraw/zinc/07/12/16/989071216.db2.gz	GQIGQCDUGBGPJB-RDJZCZTQSA-N	1	0	356.474	1.715	20	30		FDEDRO
COc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000369730040	989127852	/nfs/dbraw/zinc/12/78/52/989127852.db2.gz	OEGFXNQGGDYQFF-CQSZACIVSA-N	1	0	368.441	1.500	20	30		FDEDRO
C=CCN(C[C@H](O)CN1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000363512526	989260079	/nfs/dbraw/zinc/26/00/79/989260079.db2.gz	VPAIHYWXIFFPGQ-NHCUHLMSSA-N	1	0	359.514	1.442	20	30		FDEDRO
Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21	ZINC000873832241	989277128	/nfs/dbraw/zinc/27/71/28/989277128.db2.gz	JOHMULSWEXWUCQ-DYVFJYSZSA-N	1	0	358.417	1.887	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1C#N	ZINC000873880810	989382576	/nfs/dbraw/zinc/38/25/76/989382576.db2.gz	LLJRYJXDFJPHRV-CJNGLKHVSA-N	1	0	356.426	1.591	20	30		FDEDRO
CC[C@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1=O)c1ccc(C#N)cc1	ZINC000370083103	989438687	/nfs/dbraw/zinc/43/86/87/989438687.db2.gz	PMKOBWGSCWDUIX-PMACEKPBSA-N	1	0	370.497	1.922	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCC(O)(c2c(F)cccc2F)CC1	ZINC000297467456	989541816	/nfs/dbraw/zinc/54/18/16/989541816.db2.gz	LIJDMYAQYYANHA-UHFFFAOYSA-N	1	0	365.424	1.913	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCC[C@H]3COC[C@H]32)CC1	ZINC000370224860	989563420	/nfs/dbraw/zinc/56/34/20/989563420.db2.gz	NMPNQBACBJDJJF-GVDBMIGSSA-N	1	0	374.510	1.568	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1	ZINC000364435331	989568150	/nfs/dbraw/zinc/56/81/50/989568150.db2.gz	SBXOEDSWWRVGJN-NRFANRHFSA-N	1	0	360.417	1.770	20	30		FDEDRO
Cn1cccc1C(=O)NC1CCN(CC(=O)NC2(C#N)CCCCC2)CC1	ZINC000364524263	989620737	/nfs/dbraw/zinc/62/07/37/989620737.db2.gz	NGBOGGUYRUMVJO-UHFFFAOYSA-N	1	0	371.485	1.562	20	30		FDEDRO
C[C@H](C#N)CN(C)C(=O)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1	ZINC000297740652	989668983	/nfs/dbraw/zinc/66/89/83/989668983.db2.gz	OTMKUEHZZNWAAV-QGZVFWFLSA-N	1	0	370.497	1.975	20	30		FDEDRO
C=C(C)CN(C)C(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1	ZINC000364874004	989857905	/nfs/dbraw/zinc/85/79/05/989857905.db2.gz	VRAZALKSGGSWOK-UHFFFAOYSA-N	1	0	372.469	1.437	20	30		FDEDRO
C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)c1	ZINC000874214387	989941748	/nfs/dbraw/zinc/94/17/48/989941748.db2.gz	BPHVNLBMIMFBHO-IBGZPJMESA-N	1	0	362.433	1.842	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1	ZINC000298216399	989967105	/nfs/dbraw/zinc/96/71/05/989967105.db2.gz	GWQVSDFZMVEKPC-KRWDZBQOSA-N	1	0	359.470	1.999	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1	ZINC000370771129	989978280	/nfs/dbraw/zinc/97/82/80/989978280.db2.gz	DGGZWVYHCPTOSL-JQHSSLGASA-N	1	0	357.454	1.943	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)COc3ccccc3O)CC2)cc1	ZINC000298292939	990019525	/nfs/dbraw/zinc/01/95/25/990019525.db2.gz	ZYGOPDHAQDNBPC-UHFFFAOYSA-N	1	0	351.406	1.987	20	30		FDEDRO
N#Cc1ccc(CNC(=O)CN2CCC[C@H](c3nnc4n3CCC4)C2)cc1	ZINC000365133936	990054593	/nfs/dbraw/zinc/05/45/93/990054593.db2.gz	MWCCCRNTTIVAHP-KRWDZBQOSA-N	1	0	364.453	1.592	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1	ZINC000371093459	990243681	/nfs/dbraw/zinc/24/36/81/990243681.db2.gz	KRMFLKLUHNMMIO-OXQOHEQNSA-N	1	0	369.469	1.847	20	30		FDEDRO
CC[N@H+](CCNC(=O)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O)C1CC1	ZINC000371102249	990250954	/nfs/dbraw/zinc/25/09/54/990250954.db2.gz	VXBVDKHNFSGVCH-JLTOFOAXSA-N	1	0	367.453	1.526	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@@H]2[C@H](CNC(=O)OC(C)(C)C)C2(F)F)CC1	ZINC000874439374	990280996	/nfs/dbraw/zinc/28/09/96/990280996.db2.gz	YWZRCCDWMQDEHO-RYUDHWBXSA-N	1	0	372.416	1.497	20	30		FDEDRO
CON=C(C(=O)N(CC[NH+](C)C)C1CCCCC1)c1csc(N)n1	ZINC000874457550	990297649	/nfs/dbraw/zinc/29/76/49/990297649.db2.gz	UWHRKDLCECSJLO-UHFFFAOYSA-N	1	0	353.492	1.799	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)CC1	ZINC000371414722	990415211	/nfs/dbraw/zinc/41/52/11/990415211.db2.gz	LGKADQXRKZSUEL-QZTJIDSGSA-N	1	0	361.490	1.668	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NCC1CC[NH+](Cc2ccc(C)cc2)CC1	ZINC000371554028	990520823	/nfs/dbraw/zinc/52/08/23/990520823.db2.gz	OJFCBXSMZMAKJL-UHFFFAOYSA-N	1	0	358.486	1.808	20	30		FDEDRO
Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CNC(=O)c1sccc1C#N	ZINC000371589939	990552433	/nfs/dbraw/zinc/55/24/33/990552433.db2.gz	JVLMYTFTDAZEOO-UHFFFAOYSA-N	1	0	372.498	1.734	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000875039327	990775837	/nfs/dbraw/zinc/77/58/37/990775837.db2.gz	ALHBTJRTKIEWFJ-MRXNPFEDSA-N	1	0	351.491	1.465	20	30		FDEDRO
CCCCCCCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000875040303	990777342	/nfs/dbraw/zinc/77/73/42/990777342.db2.gz	KNBHRMMVLMPRGV-QGZVFWFLSA-N	1	0	353.507	1.833	20	30		FDEDRO
C[C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C)n1cnc(C#N)n1	ZINC000409737190	990787817	/nfs/dbraw/zinc/78/78/17/990787817.db2.gz	AWIXLGCHUUNWCU-HOTGVXAUSA-N	1	0	352.442	1.834	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc(C(F)(F)F)c(C#N)n2)CC1	ZINC000409733209	990789250	/nfs/dbraw/zinc/78/92/50/990789250.db2.gz	PKIZSYWGZRVMIB-AWEZNQCLSA-N	1	0	367.375	1.715	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C	ZINC000875059252	990805997	/nfs/dbraw/zinc/80/59/97/990805997.db2.gz	MWGDCPDGFMSXNE-DLBZAZTESA-N	1	0	363.433	1.089	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[N@@H+](C2CCOCC2)CC1	ZINC000371906553	990815467	/nfs/dbraw/zinc/81/54/67/990815467.db2.gz	YWWAWHBAVLYLGE-UHFFFAOYSA-N	1	0	374.416	1.349	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C	ZINC000875107426	990905040	/nfs/dbraw/zinc/90/50/40/990905040.db2.gz	RIADNGRWVGOCRQ-ZWKOTPCHSA-N	1	0	359.470	1.259	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C	ZINC000875107425	990905210	/nfs/dbraw/zinc/90/52/10/990905210.db2.gz	RIADNGRWVGOCRQ-ROUUACIJSA-N	1	0	359.470	1.259	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1	ZINC000875123269	990928119	/nfs/dbraw/zinc/92/81/19/990928119.db2.gz	SRBBKJSZNKDDQA-MWDXBVQZSA-N	1	0	351.491	1.014	20	30		FDEDRO
CCC[N@H+](CC)CCNC(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000372217667	990966841	/nfs/dbraw/zinc/96/68/41/990966841.db2.gz	QGNSIBSLVFRNPZ-YWZLYKJASA-N	1	0	369.469	1.773	20	30		FDEDRO
C[C@@H]1CN(CCNC(=O)N2CCN(c3ccc(C#N)cc3)CC2)CCO1	ZINC000875193669	991041779	/nfs/dbraw/zinc/04/17/79/991041779.db2.gz	CUTSOGHWQYKLPT-MRXNPFEDSA-N	1	0	357.458	1.111	20	30		FDEDRO
C[C@H](C(=O)Nc1ccccc1C#N)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000372369290	991050041	/nfs/dbraw/zinc/05/00/41/991050041.db2.gz	XZDLYDABSKDNED-APWZRJJASA-N	1	0	369.513	1.986	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000875267962	991228020	/nfs/dbraw/zinc/22/80/20/991228020.db2.gz	BOQKVPPMRBRQTN-UHOSZYNNSA-N	1	0	371.481	1.168	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)c1	ZINC000372579651	991240124	/nfs/dbraw/zinc/24/01/24/991240124.db2.gz	WXJLGWONAJSBMI-WMZOPIPTSA-N	1	0	355.438	1.224	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1	ZINC000875283095	991257346	/nfs/dbraw/zinc/25/73/46/991257346.db2.gz	JJPIFZLIFPRPNO-MRXNPFEDSA-N	1	0	363.502	1.444	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000875306909	991291407	/nfs/dbraw/zinc/29/14/07/991291407.db2.gz	GUMGXPZISMZPTP-GVDBMIGSSA-N	1	0	363.502	1.300	20	30		FDEDRO
CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)[C@@]2(C#N)CCCOC2)cc1	ZINC000875325855	991322725	/nfs/dbraw/zinc/32/27/25/991322725.db2.gz	XKCOIRJHPDOHEZ-HXUWFJFHSA-N	1	0	373.453	1.984	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1	ZINC000875350781	991373932	/nfs/dbraw/zinc/37/39/32/991373932.db2.gz	QTZYPGJKWAWPFJ-WIYYLYMNSA-N	1	0	371.481	1.169	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000410481622	991458362	/nfs/dbraw/zinc/45/83/62/991458362.db2.gz	GNBJQLJMEZMXSE-GOSISDBHSA-N	1	0	365.518	1.762	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2nn(C)cc2C#N)[C@H](c2cnn(C)c2)C1	ZINC000875397407	991466867	/nfs/dbraw/zinc/46/68/67/991466867.db2.gz	XKCPBYNSRAKZQX-CVEARBPZSA-N	1	0	355.446	1.478	20	30		FDEDRO
C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C1CC1)C1(C#N)CCC1	ZINC000875591364	991777348	/nfs/dbraw/zinc/77/73/48/991777348.db2.gz	DSKQZVRHSUFZJW-AWEZNQCLSA-N	1	0	350.463	1.879	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)[C@@H](O)c1cc(OC)ccc1OC	ZINC000875621888	991819152	/nfs/dbraw/zinc/81/91/52/991819152.db2.gz	BVSJVUOCABSBGQ-RDTXWAMCSA-N	1	0	363.458	1.380	20	30		FDEDRO
N#Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2nccn2)C3)cc1F	ZINC001095475276	991928287	/nfs/dbraw/zinc/92/82/87/991928287.db2.gz	ZQJANGJRYUEBIT-PVAVHDDUSA-N	1	0	354.389	1.211	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)cc1	ZINC000373115528	991930466	/nfs/dbraw/zinc/93/04/66/991930466.db2.gz	LMJNXPOTEOKLPA-MOPGFXCFSA-N	1	0	356.470	1.407	20	30		FDEDRO
C[C@H]1CCN(C(=O)C(=O)N2CCC(C#N)CC2)CC[N@@H+]1Cc1ccccc1	ZINC000410861505	991948515	/nfs/dbraw/zinc/94/85/15/991948515.db2.gz	ZFDMBPMAYQBILE-KRWDZBQOSA-N	1	0	368.481	1.872	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CCN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)[C@@H]2C1	ZINC000373141888	991952660	/nfs/dbraw/zinc/95/26/60/991952660.db2.gz	RVZDXEUYOGALSP-FUHWJXTLSA-N	1	0	368.485	1.658	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)CC2)CC[N@@H+]1C	ZINC000964821516	1015681870	/nfs/dbraw/zinc/68/18/70/1015681870.db2.gz	LQXKZSJIDSZVFH-SOLBZPMBSA-N	1	0	371.485	1.728	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000875918854	992190387	/nfs/dbraw/zinc/19/03/87/992190387.db2.gz	XOIUSUCQVGGJCA-ICSRJNTNSA-N	1	0	359.470	1.351	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1	ZINC000373408766	992203869	/nfs/dbraw/zinc/20/38/69/992203869.db2.gz	ZDOVADDSWHQVIP-UAFMIMERSA-N	1	0	366.465	1.951	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)CC2)CC[N@@H+]1C	ZINC000964853756	1015691272	/nfs/dbraw/zinc/69/12/72/1015691272.db2.gz	VJZRDUGQQRYKLG-IJEWVQPXSA-N	1	0	357.458	1.337	20	30		FDEDRO
C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1	ZINC000876278914	992519330	/nfs/dbraw/zinc/51/93/30/992519330.db2.gz	LJDKQPCRHOTYRZ-RTBURBONSA-N	1	0	356.470	1.778	20	30		FDEDRO
COCC[N@H+]1[C@H](C)CN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C[C@@H]1C	ZINC000876281726	992521124	/nfs/dbraw/zinc/52/11/24/992521124.db2.gz	VKTHFSUTALOUFM-ZRGWGRIASA-N	1	0	356.470	1.776	20	30		FDEDRO
COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1cc2ccccc2n1CC#N	ZINC000876472142	992634151	/nfs/dbraw/zinc/63/41/51/992634151.db2.gz	IBJHFLJXPHQRAB-HXUWFJFHSA-N	1	0	370.453	1.584	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])s1	ZINC000876510887	992674432	/nfs/dbraw/zinc/67/44/32/992674432.db2.gz	YVOPHHPKMPTGCJ-JSGCOSHPSA-N	1	0	371.528	1.483	20	30		FDEDRO
CC(C)(C)C(=O)N1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876580721	992716760	/nfs/dbraw/zinc/71/67/60/992716760.db2.gz	YHDBUYIWGAQGBG-QGZVFWFLSA-N	1	0	354.454	1.462	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1	ZINC000876581462	992717587	/nfs/dbraw/zinc/71/75/87/992717587.db2.gz	KEUDSHXYZSQQFA-HNNXBMFYSA-N	1	0	353.825	1.970	20	30		FDEDRO
CC(C)(C)CC(=O)N1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876586138	992721547	/nfs/dbraw/zinc/72/15/47/992721547.db2.gz	FWFFDSZFMUGRBQ-LJQANCHMSA-N	1	0	368.481	1.852	20	30		FDEDRO
CC[NH2+][C@H](C)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1	ZINC000876606494	992737361	/nfs/dbraw/zinc/73/73/61/992737361.db2.gz	ACVQWLVLRUWOEO-RILUTCLRSA-N	1	0	352.460	1.436	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1	ZINC000876618289	992744778	/nfs/dbraw/zinc/74/47/78/992744778.db2.gz	PNQLXEDKTYLMIE-HNNXBMFYSA-N	1	0	373.906	1.802	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CCCOc1cccc(S(C)(=O)=O)c1	ZINC000876623306	992749421	/nfs/dbraw/zinc/74/94/21/992749421.db2.gz	GNRFWPKBJNJKBG-OAHLLOKOSA-N	1	0	374.890	1.787	20	30		FDEDRO
C=C(Br)CNC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F	ZINC000876623933	992750432	/nfs/dbraw/zinc/75/04/32/992750432.db2.gz	BOISKLNTKQZWQN-ZETCQYMHSA-N	1	0	350.167	1.389	20	30		FDEDRO
C=C(Br)CNC(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F	ZINC000876624075	992750589	/nfs/dbraw/zinc/75/05/89/992750589.db2.gz	FLTRFZSBIDVHMH-UHFFFAOYSA-N	1	0	364.194	1.779	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)c1	ZINC000412006502	992761496	/nfs/dbraw/zinc/76/14/96/992761496.db2.gz	WEELJWPWOAYXIL-UHFFFAOYSA-N	1	0	353.466	1.951	20	30		FDEDRO
COCCCOC1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876672200	992784882	/nfs/dbraw/zinc/78/48/82/992784882.db2.gz	BWMJPJRYEKOTFH-LJQANCHMSA-N	1	0	357.454	1.789	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(c2ncnc3sccc32)CC1	ZINC000876717265	992827361	/nfs/dbraw/zinc/82/73/61/992827361.db2.gz	BMGZKNHMZITIPD-LBPRGKRZSA-N	1	0	351.863	1.810	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1	ZINC000876779200	992904415	/nfs/dbraw/zinc/90/44/15/992904415.db2.gz	XLVLCEYWUVRUCL-LRDDRELGSA-N	1	0	353.850	1.869	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCC([C@@H]3CCOC3)CC2)CC1	ZINC000374593039	992905733	/nfs/dbraw/zinc/90/57/33/992905733.db2.gz	IBMYRQSOMMRMGZ-MOPGFXCFSA-N	1	0	362.518	1.427	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(C)([NH3+])CC2)s1	ZINC000876826725	992929016	/nfs/dbraw/zinc/92/90/16/992929016.db2.gz	HGEUMVSNOAKLJW-UHFFFAOYSA-N	1	0	357.501	1.095	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CC[NH2+]CC2(C)C)s1	ZINC000876869242	992942504	/nfs/dbraw/zinc/94/25/04/992942504.db2.gz	DALUCKFHAIVPMZ-ZDUSSCGKSA-N	1	0	371.528	1.259	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1	ZINC000876896504	992956624	/nfs/dbraw/zinc/95/66/24/992956624.db2.gz	FUWGHZNTTFKZFN-KGLIPLIRSA-N	1	0	363.911	1.309	20	30		FDEDRO
N#CC1(NC(=O)c2ccc(C(N)=O)cn2)CC[NH+](Cc2ccccc2)CC1	ZINC000374892599	992965600	/nfs/dbraw/zinc/96/56/00/992965600.db2.gz	KBLWVMMODNHLCM-UHFFFAOYSA-N	1	0	363.421	1.469	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(CC[NH3+])CC2)s1	ZINC000876948798	992978509	/nfs/dbraw/zinc/97/85/09/992978509.db2.gz	PLDZZZYPFKMDJD-UHFFFAOYSA-N	1	0	371.528	1.342	20	30		FDEDRO
COc1ncc(Br)cc1CNC(=O)C#CC1CC[NH2+]CC1	ZINC000877017734	993012920	/nfs/dbraw/zinc/01/29/20/993012920.db2.gz	IAHSMMUHNDECIC-UHFFFAOYSA-N	1	0	352.232	1.472	20	30		FDEDRO
C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000375282544	993051749	/nfs/dbraw/zinc/05/17/49/993051749.db2.gz	RUWSAYBLVIPVCK-XCRRMNKXSA-N	1	0	360.502	1.953	20	30		FDEDRO
CN(C)C(=O)COC[C@]12COC[C@H]1C[N@H+](Cc1ccc(OCC#N)cc1)C2	ZINC001137116984	993064989	/nfs/dbraw/zinc/06/49/89/993064989.db2.gz	XNPSCJITCDZCDM-XLIONFOSSA-N	1	0	373.453	1.142	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCCOc1cncc(Cl)c1	ZINC000877147002	993070866	/nfs/dbraw/zinc/07/08/66/993070866.db2.gz	YRZWNRXSQIGDEB-KRWDZBQOSA-N	1	0	356.813	1.989	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)CC1	ZINC000877251478	993150700	/nfs/dbraw/zinc/15/07/00/993150700.db2.gz	QVNCWGUGPNSDHK-CQSZACIVSA-N	1	0	352.360	1.591	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CC[C@](C(N)=O)(c3ccccc3)C2)CC1	ZINC000413235179	993177175	/nfs/dbraw/zinc/17/71/75/993177175.db2.gz	JFCLYFLGVOCURM-HXUWFJFHSA-N	1	0	356.470	1.475	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)ccc1F	ZINC000877285692	993177788	/nfs/dbraw/zinc/17/77/88/993177788.db2.gz	WWRUVKWEAJEDHP-GJZGRUSLSA-N	1	0	367.446	1.257	20	30		FDEDRO
CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1(C)C	ZINC000877297503	993195100	/nfs/dbraw/zinc/19/51/00/993195100.db2.gz	SZBGWDFBFVBWEI-APWZRJJASA-N	1	0	357.458	1.134	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)CC1	ZINC000375584149	993246078	/nfs/dbraw/zinc/24/60/78/993246078.db2.gz	NEAADEBZYAOUAR-UHFFFAOYSA-N	1	0	371.485	1.759	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC(=O)N(C)C	ZINC000968860866	1015771137	/nfs/dbraw/zinc/77/11/37/1015771137.db2.gz	AJYGWCWUXFRBNQ-ZACQAIPSSA-N	1	0	351.491	1.417	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N1CC[C@@H](CC[NH3+])C1	ZINC000923699022	993346857	/nfs/dbraw/zinc/34/68/57/993346857.db2.gz	JQXYVJPBFJWDNC-SNVBAGLBSA-N	1	0	358.261	1.680	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1CN1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1	ZINC000877573610	993350228	/nfs/dbraw/zinc/35/02/28/993350228.db2.gz	RJYMCVDQCPJMTR-SFHVURJKSA-N	1	0	355.486	1.411	20	30		FDEDRO
C=CCn1c([C@@H]2CCCO2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000651516045	1015785532	/nfs/dbraw/zinc/78/55/32/1015785532.db2.gz	RNHKQVKXAAKIGV-SJORKVTESA-N	1	0	361.490	1.864	20	30		FDEDRO
C[C@H]([NH2+]Cc1ccccc1CN1CCCC1=O)C(=O)NC1(C#N)CCC1	ZINC000468927613	993713531	/nfs/dbraw/zinc/71/35/31/993713531.db2.gz	ISOHILRILJSPDU-HNNXBMFYSA-N	1	0	354.454	1.850	20	30		FDEDRO
CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H]1CCCN(O)C1=O	ZINC000878121013	993724991	/nfs/dbraw/zinc/72/49/91/993724991.db2.gz	PYMPCDBPLUZARV-HNNXBMFYSA-N	1	0	364.446	1.909	20	30		FDEDRO
C=CC[C@@H](C(=O)OC)N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1	ZINC000878172833	993760952	/nfs/dbraw/zinc/76/09/52/993760952.db2.gz	MDFFTLJXECMDJR-KGLIPLIRSA-N	1	0	352.435	1.402	20	30		FDEDRO
CCN1CCOC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1	ZINC001095655571	993895387	/nfs/dbraw/zinc/89/53/87/993895387.db2.gz	KUDBWLIKPFNODR-FYQPLNBISA-N	1	0	368.481	1.500	20	30		FDEDRO
CCOC(=O)[C@H]1C[N@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)CC12COC2	ZINC000878658816	994095626	/nfs/dbraw/zinc/09/56/26/994095626.db2.gz	VASJLHKQQZSIPW-NQIIRXRSSA-N	1	0	370.449	1.939	20	30		FDEDRO
C=CCN1CC[C@@H](OC(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)C1=O	ZINC000924188243	994466674	/nfs/dbraw/zinc/46/66/74/994466674.db2.gz	YVOAZNGWKIMXMK-IEODJVTJSA-N	1	0	358.438	1.970	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C[C@H]1CNC(=O)OC(C)(C)C	ZINC000879211332	994640429	/nfs/dbraw/zinc/64/04/29/994640429.db2.gz	FOYUBAAFQMOLMQ-PJIJBLCYSA-N	1	0	364.490	1.887	20	30		FDEDRO
CO[C@@H]1C[C@@H]2C[N@H+](CCC(=O)N(C)CCC#N)Cc3cccnc3N2C1	ZINC000879268827	994717980	/nfs/dbraw/zinc/71/79/80/994717980.db2.gz	GZDZGSYSCGIIMU-IAGOWNOFSA-N	1	0	357.458	1.253	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1	ZINC000879531385	994982589	/nfs/dbraw/zinc/98/25/89/994982589.db2.gz	CQJNSQAYVCEHEX-WQVCFCJDSA-N	1	0	372.400	1.007	20	30		FDEDRO
C[NH+](C)C[C@@H]1NC(=O)N(C2CCC(Oc3ccc(C#N)cn3)CC2)C1=O	ZINC000924822115	995032962	/nfs/dbraw/zinc/03/29/62/995032962.db2.gz	SIGBFZUOLOUHEM-NRXISQOPSA-N	1	0	357.414	1.125	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(CC(=O)[C@H](C#N)c3nc4ccccc4c(=O)[nH]3)CC[C@@H]21	ZINC000879578360	995038171	/nfs/dbraw/zinc/03/81/71/995038171.db2.gz	SMZIESWAPKMWOW-KMFMINBZSA-N	1	0	365.437	1.538	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2CCN(c3ccc(C#N)cc3)CC2)CC1	ZINC000879584766	995049231	/nfs/dbraw/zinc/04/92/31/995049231.db2.gz	INOGXOKGNDJITL-UHFFFAOYSA-N	1	0	355.486	1.281	20	30		FDEDRO
C#CCNC(=O)CC[N@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@H](c2cnn(C)c2)C1	ZINC000879606107	995078156	/nfs/dbraw/zinc/07/81/56/995078156.db2.gz	QEWOFDDMKLUMHS-JKSUJKDBSA-N	1	0	374.485	1.307	20	30		FDEDRO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](O)[C@@H](O)C3)sc2C1	ZINC000879609844	995085051	/nfs/dbraw/zinc/08/50/51/995085051.db2.gz	ALXNBAISUMBGPQ-DFBGVHRSSA-N	1	0	363.483	1.501	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccnn1C	ZINC000879685453	995173454	/nfs/dbraw/zinc/17/34/54/995173454.db2.gz	HGLDSPSFGXKIKJ-GOEBONIOSA-N	1	0	372.498	1.541	20	30		FDEDRO
C#CC[C@H]1NC(=O)N(CC2([N@H+](C)Cc3ccccc3)CCOCC2)C1=O	ZINC000925235521	995419549	/nfs/dbraw/zinc/41/95/49/995419549.db2.gz	HRRXCGWMXXTOPM-QGZVFWFLSA-N	1	0	355.438	1.611	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1cccnc1	ZINC000925903841	995812371	/nfs/dbraw/zinc/81/23/71/995812371.db2.gz	LJWSHLZNWHINLJ-QZTJIDSGSA-N	1	0	356.474	1.456	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cccc(C#CCO)c1)C2	ZINC000926191409	995970654	/nfs/dbraw/zinc/97/06/54/995970654.db2.gz	DPRRBRKAEXMETD-BNDYYXHWSA-N	1	0	356.466	1.240	20	30		FDEDRO
N#CCCc1ccc(NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc1	ZINC000926200673	995975736	/nfs/dbraw/zinc/97/57/36/995975736.db2.gz	UPZLNICUZDCGPQ-UHFFFAOYSA-N	1	0	370.457	1.317	20	30		FDEDRO
CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3cc(O)cc(C#N)c3)C2)[C@@H]1C(C)C	ZINC000926245481	995994072	/nfs/dbraw/zinc/99/40/72/995994072.db2.gz	WIYGBPIAJAQTDX-FTEYMNFISA-N	1	0	357.454	1.863	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1	ZINC000926786892	996302964	/nfs/dbraw/zinc/30/29/64/996302964.db2.gz	LBLYXGJVXXMENJ-GOSISDBHSA-N	1	0	361.486	1.904	20	30		FDEDRO
CCO[C@H](CNC(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1)C[NH+](C)C	ZINC000926855111	996343430	/nfs/dbraw/zinc/34/34/30/996343430.db2.gz	RCGWFWMQSOORBL-GOSISDBHSA-N	1	0	370.457	1.891	20	30		FDEDRO
C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)C2)C1	ZINC000965424019	1016059431	/nfs/dbraw/zinc/05/94/31/1016059431.db2.gz	FXXLFKKAGGUYET-YYIRHMBSSA-N	1	0	358.486	1.881	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)cc1	ZINC000887037759	996856888	/nfs/dbraw/zinc/85/68/88/996856888.db2.gz	CPNKCEIMNMZDGH-HXUWFJFHSA-N	1	0	355.438	1.629	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1	ZINC000887040690	996862174	/nfs/dbraw/zinc/86/21/74/996862174.db2.gz	ILLBPKPTOPHHOK-FOIQADDNSA-N	1	0	370.453	1.908	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCOCC1	ZINC000887123660	996954210	/nfs/dbraw/zinc/95/42/10/996954210.db2.gz	ZDFSSDNJQNBUNP-UHFFFAOYSA-N	1	0	363.421	1.845	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)NCc2ccc(N3CCCC3=O)cc2)CCOCC1	ZINC000887125635	996955053	/nfs/dbraw/zinc/95/50/53/996955053.db2.gz	DGXOQQBQXKNFHA-UHFFFAOYSA-N	1	0	369.465	1.592	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N(C)Cc2ccc(OC)c(OC)c2)CCOCC1	ZINC000887126051	996956384	/nfs/dbraw/zinc/95/63/84/996956384.db2.gz	UJICNWIIZCRAKV-UHFFFAOYSA-N	1	0	360.454	1.824	20	30		FDEDRO
C[C@H]1CN(c2cc[nH+]cc2)CCN1CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000887134297	996960846	/nfs/dbraw/zinc/96/08/46/996960846.db2.gz	HCIOMEBNTFKBLJ-HNNXBMFYSA-N	1	0	371.466	1.333	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[N@@H+](C3CC3)C[C@H](C)C2)CC1	ZINC000333410089	997213195	/nfs/dbraw/zinc/21/31/95/997213195.db2.gz	KBFWWKZBHCMMMP-MJGOQNOKSA-N	1	0	361.534	1.095	20	30		FDEDRO
COc1ccc(N2CCN(CCNC(=[NH2+])Nc3ccccn3)CC2)cc1	ZINC000264063469	997393495	/nfs/dbraw/zinc/39/34/95/997393495.db2.gz	AGGQGXCJWXRXRS-UHFFFAOYSA-N	1	0	354.458	1.639	20	30		FDEDRO
CC[C@H](C)NC(=[NH2+])NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1	ZINC000264070953	997395381	/nfs/dbraw/zinc/39/53/81/997395381.db2.gz	GDJJCYYIADDNRQ-HOCLYGCPSA-N	1	0	364.490	1.780	20	30		FDEDRO
C=C(C)CNC(=[NH2+])NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1	ZINC000264083236	997398529	/nfs/dbraw/zinc/39/85/29/997398529.db2.gz	IESULOJICHGLQS-INIZCTEOSA-N	1	0	360.458	1.341	20	30		FDEDRO
[NH2+]=C(NCCCOc1ccc(F)cc1)N1CCN(c2ncccn2)CC1	ZINC000264086350	997399366	/nfs/dbraw/zinc/39/93/66/997399366.db2.gz	JNKVZXSJDLBMLV-UHFFFAOYSA-N	1	0	358.421	1.522	20	30		FDEDRO
COc1ccccc1CNC(=[NH2+])NC[C@H](O)COc1ccc2c(c1)OCO2	ZINC000264098569	997401327	/nfs/dbraw/zinc/40/13/27/997401327.db2.gz	NEQKGZUXWAABIH-AWEZNQCLSA-N	1	0	373.409	1.268	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCc2cn3ccccc3n2)CC1	ZINC000264113952	997404049	/nfs/dbraw/zinc/40/40/49/997404049.db2.gz	PLOPAABNQRTGCE-UHFFFAOYSA-N	1	0	358.446	1.702	20	30		FDEDRO
NC(=O)C1CCN(c2ncccc2CNC(=[NH2+])Nc2ccccc2)CC1	ZINC000264241911	997434729	/nfs/dbraw/zinc/43/47/29/997434729.db2.gz	FELZJGICARVHLC-UHFFFAOYSA-N	1	0	352.442	1.710	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CNC(=O)c2cc(OC)cc(OC)c2)CC1	ZINC000264321384	997458237	/nfs/dbraw/zinc/45/82/37/997458237.db2.gz	BBOBHYYTHAZFJM-UHFFFAOYSA-N	1	0	361.442	1.200	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1	ZINC000264364621	997481158	/nfs/dbraw/zinc/48/11/58/997481158.db2.gz	HLUATPBFORTFSG-UHFFFAOYSA-N	1	0	368.485	1.825	20	30		FDEDRO
COc1ccc([C@@H](CNC(=O)N2CCO[C@H](C#N)C2)[NH+](C)C)cc1OC	ZINC000264367223	997482772	/nfs/dbraw/zinc/48/27/72/997482772.db2.gz	IZBKIKXCQNQEFP-HUUCEWRRSA-N	1	0	362.430	1.240	20	30		FDEDRO
C[C@@H](C#N)CN(C)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000264496372	997525167	/nfs/dbraw/zinc/52/51/67/997525167.db2.gz	CAWNISZCOAJWOA-YJBOKZPZSA-N	1	0	371.485	1.685	20	30		FDEDRO
C[NH+](C)CCn1c2cc(C(=O)N3CCO[C@](C)(C#N)C3)ccc2[nH]c1=O	ZINC000887690888	997655815	/nfs/dbraw/zinc/65/58/15/997655815.db2.gz	VXWNHFKDCHDRBU-GOSISDBHSA-N	1	0	357.414	1.058	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000265043633	997681643	/nfs/dbraw/zinc/68/16/43/997681643.db2.gz	NBVLVRGQYPVMSF-DVSFIDLUSA-N	1	0	368.437	1.294	20	30		FDEDRO
C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)Nc2ccc(C#N)cn2)CC1	ZINC000889225594	998232206	/nfs/dbraw/zinc/23/22/06/998232206.db2.gz	XZFRCOMEBOSENT-HOTGVXAUSA-N	1	0	356.474	1.976	20	30		FDEDRO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@H]1CCCc2cc(C#N)ccc21	ZINC000889252468	998246067	/nfs/dbraw/zinc/24/60/67/998246067.db2.gz	UNTRRYKHXQNZNI-KDOFPFPSSA-N	1	0	369.469	1.697	20	30		FDEDRO
CCCCCCCCNC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC000826634880	998315105	/nfs/dbraw/zinc/31/51/05/998315105.db2.gz	RCAKJDHEUVCQSH-QGZVFWFLSA-N	1	0	353.507	1.521	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1	ZINC000889766134	998622015	/nfs/dbraw/zinc/62/20/15/998622015.db2.gz	OJSSITXJSCISMK-QGZVFWFLSA-N	1	0	363.421	1.477	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(CC#N)n2)CCCCCC1	ZINC000889771642	998635433	/nfs/dbraw/zinc/63/54/33/998635433.db2.gz	VLVINXYAVBCNIF-UHFFFAOYSA-N	1	0	357.458	1.857	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1C1CC1	ZINC000889937434	998734713	/nfs/dbraw/zinc/73/47/13/998734713.db2.gz	AQRCQKCNJJUEEU-IRXDYDNUSA-N	1	0	368.437	1.354	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)n1	ZINC000889986870	998760154	/nfs/dbraw/zinc/76/01/54/998760154.db2.gz	VFEKDWWOGAWDIG-UHFFFAOYSA-N	1	0	355.442	1.609	20	30		FDEDRO
C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(CC#N)n2)[C@H]1c1ccccc1	ZINC000890046742	998792249	/nfs/dbraw/zinc/79/22/49/998792249.db2.gz	ZTTPPJORXFTJCH-FUHWJXTLSA-N	1	0	363.421	1.648	20	30		FDEDRO
C=C(CC)CNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000890317433	998901290	/nfs/dbraw/zinc/90/12/90/998901290.db2.gz	PAIKTJSREDEWEN-SFHVURJKSA-N	1	0	356.470	1.992	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CCC)S(N)(=O)=O)C2	ZINC001110856554	999050891	/nfs/dbraw/zinc/05/08/91/999050891.db2.gz	HJNUYCRVEVUSSW-NCOADZHNSA-N	1	0	371.547	1.912	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000266191819	999128228	/nfs/dbraw/zinc/12/82/28/999128228.db2.gz	FEIJYQIQRMQVBI-MRXNPFEDSA-N	1	0	359.426	1.126	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000266191816	999128261	/nfs/dbraw/zinc/12/82/61/999128261.db2.gz	FEIJYQIQRMQVBI-INIZCTEOSA-N	1	0	359.426	1.126	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(OC)c(OC)cc2C)CC1	ZINC000266749752	999226217	/nfs/dbraw/zinc/22/62/17/999226217.db2.gz	RSXFWIBIQFVSHY-UHFFFAOYSA-N	1	0	361.442	1.717	20	30		FDEDRO
[NH2+]=C(NCc1ccccc1OCC1CC1)N1CCN(c2ncccn2)CC1	ZINC000267442236	999336288	/nfs/dbraw/zinc/33/62/88/999336288.db2.gz	PGGUXNPMNHAAKW-UHFFFAOYSA-N	1	0	366.469	1.902	20	30		FDEDRO
C[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)Oc1cccc(F)c1	ZINC000267443646	999337044	/nfs/dbraw/zinc/33/70/44/999337044.db2.gz	PNTUDIPFQQKXOH-AWEZNQCLSA-N	1	0	358.421	1.520	20	30		FDEDRO
N#CCCN(C(=O)CN1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1	ZINC000267448069	999338659	/nfs/dbraw/zinc/33/86/59/999338659.db2.gz	QLVSSLBOYYFTPU-SFHVURJKSA-N	1	0	356.470	1.587	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)N1CC[NH+](C2CCCCC2)CC1	ZINC000268996331	999461746	/nfs/dbraw/zinc/46/17/46/999461746.db2.gz	SRNFEGRDRAJDEW-HNENSFHCSA-N	1	0	360.458	1.380	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CO)C[C@@H](O)c2ccccc2)CC1	ZINC000270062038	999506226	/nfs/dbraw/zinc/50/62/26/999506226.db2.gz	KIDKSFHGCFQBQW-RTBURBONSA-N	1	0	361.486	1.811	20	30		FDEDRO
C=CCCOCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO	ZINC000270241481	999529795	/nfs/dbraw/zinc/52/97/95/999529795.db2.gz	JPLAXOGJCSNSQO-OALUTQOASA-N	1	0	361.486	1.761	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2cc(F)ccc2OC)CC1	ZINC000283710343	999760710	/nfs/dbraw/zinc/76/07/10/999760710.db2.gz	AAMYOPXLKBTZSL-ZDUSSCGKSA-N	1	0	363.433	1.778	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NCc1cnn(C)c1C)C(C)C	ZINC000283876015	999762976	/nfs/dbraw/zinc/76/29/76/999762976.db2.gz	DSAWNTUWZJMUDD-QGZVFWFLSA-N	1	0	361.490	1.160	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@H](C)c1cnn(C)c1)C(C)C	ZINC000284084723	999776239	/nfs/dbraw/zinc/77/62/39/999776239.db2.gz	OQKLDRPFVZWLMQ-WBVHZDCISA-N	1	0	361.490	1.412	20	30		FDEDRO
CO[C@H]1C[C@@H](CN(C)C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)[N@H+](C)C1	ZINC000284708753	999867276	/nfs/dbraw/zinc/86/72/76/999867276.db2.gz	RKJMOSKWBFHAIE-GJZGRUSLSA-N	1	0	360.458	1.386	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000286069918	999936027	/nfs/dbraw/zinc/93/60/27/999936027.db2.gz	RVJYBEZTYLAQDI-ICSRJNTNSA-N	1	0	354.498	1.016	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000286658915	999945765	/nfs/dbraw/zinc/94/57/65/999945765.db2.gz	DZJFYWKLFFPDMF-TZIWHRDSSA-N	1	0	357.498	1.732	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CCc3ccccc3C2)CC1	ZINC000286717136	999946930	/nfs/dbraw/zinc/94/69/30/999946930.db2.gz	QUNYEWZXUAOEJG-LJQANCHMSA-N	1	0	355.482	1.769	20	30		FDEDRO
C=CCC[C@H](NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)c1ccccc1	ZINC000286800356	999950918	/nfs/dbraw/zinc/95/09/18/999950918.db2.gz	AMYPDFQIXNHHDQ-ROUUACIJSA-N	1	0	358.486	1.172	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2c2nccn2CC)CC1	ZINC000286859967	999952952	/nfs/dbraw/zinc/95/29/52/999952952.db2.gz	ZMELEMWHPLADON-KRWDZBQOSA-N	1	0	373.501	1.723	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cnn(C)c2-c2ccccc2)CC1	ZINC000287693462	999959138	/nfs/dbraw/zinc/95/91/38/999959138.db2.gz	QEDNORYBAZLHCO-UHFFFAOYSA-N	1	0	367.453	1.792	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CCO1	ZINC000287883975	999969318	/nfs/dbraw/zinc/96/93/18/999969318.db2.gz	DTXQWOLVXBBFTI-YJBOKZPZSA-N	1	0	372.469	1.132	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C	ZINC000288136385	999989968	/nfs/dbraw/zinc/98/99/68/999989968.db2.gz	OIINSPRSCSQSRG-GOEBONIOSA-N	1	0	373.428	1.861	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(C)Cc2cccc(C#N)c2)CCCO1	ZINC000288226222	999998447	/nfs/dbraw/zinc/99/84/47/999998447.db2.gz	VYZYXJHIKJUOIT-INIZCTEOSA-N	1	0	372.469	1.134	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)nn1CCC#N	ZINC000288225276	999998602	/nfs/dbraw/zinc/99/86/02/999998602.db2.gz	UUNFMQQTUYVRHE-HIFRSBDPSA-N	1	0	358.446	1.129	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000288362736	1000011125	/nfs/dbraw/zinc/01/11/25/1000011125.db2.gz	JKWFUTIGFIKWPJ-SJLPKXTDSA-N	1	0	359.470	1.332	20	30		FDEDRO
Cn1nncc1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000288848722	1000052295	/nfs/dbraw/zinc/05/22/95/1000052295.db2.gz	OCOJTLBRLVQUPE-UHFFFAOYSA-N	1	0	353.430	1.104	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C	ZINC000289018209	1000068846	/nfs/dbraw/zinc/06/88/46/1000068846.db2.gz	KVDMBEBGELIVFB-KXBFYZLASA-N	1	0	368.481	1.894	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1	ZINC000289247954	1000084765	/nfs/dbraw/zinc/08/47/65/1000084765.db2.gz	FBAMHUISHXMIKO-INIZCTEOSA-N	1	0	366.465	1.839	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CCN(CCC(N)=O)Cc2ccccc2)nc1	ZINC000289663665	1000111946	/nfs/dbraw/zinc/11/19/46/1000111946.db2.gz	CVQYHJRFGNZHIK-UHFFFAOYSA-N	1	0	372.450	1.105	20	30		FDEDRO
C=C[C@@H](CO)NC(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1	ZINC000290162291	1000125450	/nfs/dbraw/zinc/12/54/50/1000125450.db2.gz	WYMCQYBCHQXGAR-HNNXBMFYSA-N	1	0	361.442	1.153	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N(CCC)[C@H]3CC[NH2+]C3)cc21	ZINC000927792271	1001049737	/nfs/dbraw/zinc/04/97/37/1001049737.db2.gz	GOYUQPVHKJKVTM-INIZCTEOSA-N	1	0	355.442	1.761	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CC[C@]4(C3)CCC[NH2+]C4)cc21	ZINC000927800834	1001060120	/nfs/dbraw/zinc/06/01/20/1001060120.db2.gz	JVHYQJINVMQIKX-HXUWFJFHSA-N	1	0	367.453	1.763	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3C[C@@H]4C[NH2+]C[C@]4(C)C3)cc21	ZINC000927807980	1001068826	/nfs/dbraw/zinc/06/88/26/1001068826.db2.gz	VMFAUUYFZAFOQB-IFXJQAMLSA-N	1	0	353.426	1.229	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3C[C@@H](C)[C@H](CC[NH3+])C3)cc21	ZINC000927825939	1001085561	/nfs/dbraw/zinc/08/55/61/1001085561.db2.gz	NAZCNGAHJURDQB-UKRRQHHQSA-N	1	0	355.442	1.604	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c1	ZINC000927845704	1001107188	/nfs/dbraw/zinc/10/71/88/1001107188.db2.gz	AAGVBVFXWDXVGC-UONOGXRCSA-N	1	0	371.359	1.928	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cc1F	ZINC000927847277	1001111636	/nfs/dbraw/zinc/11/16/36/1001111636.db2.gz	UUCKTPWIVZPTLY-CMPLNLGQSA-N	1	0	358.295	1.374	20	30		FDEDRO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1	ZINC000927899501	1001203190	/nfs/dbraw/zinc/20/31/90/1001203190.db2.gz	SHJAYDBIYKRYKQ-SOUVJXGZSA-N	1	0	372.494	1.945	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2	ZINC000927927183	1001222049	/nfs/dbraw/zinc/22/20/49/1001222049.db2.gz	NCGPRNOJUNMDIV-LJQANCHMSA-N	1	0	356.426	1.640	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12	ZINC000928100771	1001378048	/nfs/dbraw/zinc/37/80/48/1001378048.db2.gz	ZLPVZBMCULJJMM-CABCVRRESA-N	1	0	361.467	1.642	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C[C@H](CNC(=O)OC(C)(C)C)OC)CC1	ZINC000928652889	1001609610	/nfs/dbraw/zinc/60/96/10/1001609610.db2.gz	QNHHTTYSKRIPJM-OAHLLOKOSA-N	1	0	353.463	1.130	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1	ZINC000928654202	1001610554	/nfs/dbraw/zinc/61/05/54/1001610554.db2.gz	QZZBRRMMDIXGAM-UHFFFAOYSA-N	1	0	372.425	1.259	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)CC1	ZINC000928656551	1001612722	/nfs/dbraw/zinc/61/27/22/1001612722.db2.gz	ABTYZVKFKFQILR-ZDUSSCGKSA-N	1	0	361.392	1.532	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3OC)C2)CC1	ZINC000928658912	1001614688	/nfs/dbraw/zinc/61/46/88/1001614688.db2.gz	XYSVTMOSRDXRCM-INIZCTEOSA-N	1	0	369.465	1.570	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H](CCSC)NC(=O)c2ccccc2)CC1	ZINC000928660387	1001615857	/nfs/dbraw/zinc/61/58/57/1001615857.db2.gz	BWNJSPMFWJWOOJ-SFHVURJKSA-N	1	0	373.522	1.752	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(CC(=O)Nc3cccnn3)CC2)cc1	ZINC000929112544	1001756575	/nfs/dbraw/zinc/75/65/75/1001756575.db2.gz	ZCAJEHUSIPDROB-UHFFFAOYSA-N	1	0	350.426	1.495	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@]2(C)CCCN(c3cncc(C#N)n3)C2)CC[N@@H+]1C	ZINC001110963712	1001797162	/nfs/dbraw/zinc/79/71/62/1001797162.db2.gz	KTNSYMPZEBRDQR-SQGPQFPESA-N	1	0	370.501	1.801	20	30		FDEDRO
C#Cc1ccc(NC(=O)CCN2CCN(CC(=O)NC(C)C)CC2)cc1	ZINC000929228774	1001830950	/nfs/dbraw/zinc/83/09/50/1001830950.db2.gz	UNQITVSJAGAIBN-UHFFFAOYSA-N	1	0	356.470	1.139	20	30		FDEDRO
N#Cc1ccnc(N2CC[NH+](C[C@@H](O)CC[C@H](O)c3ccccc3)CC2)c1	ZINC000929267945	1001880291	/nfs/dbraw/zinc/88/02/91/1001880291.db2.gz	BMFKRUSVDAKTBE-PMACEKPBSA-N	1	0	366.465	1.950	20	30		FDEDRO
C#CCN(C(=O)C(=O)NC[C@@H](OC)c1ccccc1)C1CC[NH+](C)CC1	ZINC000929308567	1001920605	/nfs/dbraw/zinc/92/06/05/1001920605.db2.gz	MWEZFLVLXXBJFA-GOSISDBHSA-N	1	0	357.454	1.046	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1ccccc1OCC)C1CC[NH+](C)CC1	ZINC000929317155	1001929103	/nfs/dbraw/zinc/92/91/03/1001929103.db2.gz	PSKFOWKAAINSND-UHFFFAOYSA-N	1	0	357.454	1.258	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1	ZINC000948208993	1002179982	/nfs/dbraw/zinc/17/99/82/1002179982.db2.gz	HOMKFRXJUQBLFY-XWIAVFTESA-N	1	0	369.469	1.337	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](Cc2cnnn2C)CC1	ZINC000948385314	1002290677	/nfs/dbraw/zinc/29/06/77/1002290677.db2.gz	JWYCYLLXJYVULR-NXHRZFHOSA-N	1	0	361.490	1.609	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC#CC[NH+](C)C)cc1	ZINC000929744521	1002392576	/nfs/dbraw/zinc/39/25/76/1002392576.db2.gz	KKLLEZKWTSVCFK-UHFFFAOYSA-N	1	0	364.471	1.180	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC000948579769	1002466734	/nfs/dbraw/zinc/46/67/34/1002466734.db2.gz	JTVFOQBKRJGEBM-ZTFGCOKTSA-N	1	0	371.485	1.726	20	30		FDEDRO
C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C#N)cc1F	ZINC001111277245	1002469994	/nfs/dbraw/zinc/46/99/94/1002469994.db2.gz	IEUWGBFLUOJSSC-QRQLOZEOSA-N	1	0	374.460	1.497	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC000948582378	1002473564	/nfs/dbraw/zinc/47/35/64/1002473564.db2.gz	ZUPGSSKFBTZTSM-XYPHTWIQSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC000948775605	1002663504	/nfs/dbraw/zinc/66/35/04/1002663504.db2.gz	MSNJBWMEPVKOCK-IXDOHACOSA-N	1	0	351.491	1.511	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2cnc3ccccc3c2)CC1	ZINC000930006008	1002728526	/nfs/dbraw/zinc/72/85/26/1002728526.db2.gz	AEHNNRGFZPCIAW-UHFFFAOYSA-N	1	0	366.465	1.660	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[C@H]2CCC3(CCC3)O2)CC1	ZINC000930010267	1002733316	/nfs/dbraw/zinc/73/33/16/1002733316.db2.gz	OLNXPOWCERVAEK-QGZVFWFLSA-N	1	0	363.502	1.751	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC(C)(C)OC2(C)C)CC1	ZINC000930010549	1002734358	/nfs/dbraw/zinc/73/43/58/1002734358.db2.gz	QNHUKIJPJUIEOA-OAHLLOKOSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CCC[N@H+](Cc2cnnn2C)CC1	ZINC000948851744	1002759457	/nfs/dbraw/zinc/75/94/57/1002759457.db2.gz	AKAGFKFLEFUFJY-SZMVWBNQSA-N	1	0	361.490	1.609	20	30		FDEDRO
CC[NH+]1CCC(CCNC(=O)C(=O)NCc2ccc(C)c(C#N)c2)CC1	ZINC000930110248	1002829279	/nfs/dbraw/zinc/82/92/79/1002829279.db2.gz	KVDNBBKTQDASHO-UHFFFAOYSA-N	1	0	356.470	1.721	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1	ZINC000949001161	1002917915	/nfs/dbraw/zinc/91/79/15/1002917915.db2.gz	QUBIRTNRMBXDFI-SQNIBIBYSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=C(C)C[N@@H+](C)C[C@@H](O)COc1cn(-c2ccccc2)nc1C(=O)OC	ZINC000930243822	1002962061	/nfs/dbraw/zinc/96/20/61/1002962061.db2.gz	ISOWCLUXAXJSID-MRXNPFEDSA-N	1	0	359.426	1.907	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)C1	ZINC000930283041	1002995524	/nfs/dbraw/zinc/99/55/24/1002995524.db2.gz	CFJNZHPBSGABRR-MRXNPFEDSA-N	1	0	358.490	1.677	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1C#N	ZINC000930378232	1003072025	/nfs/dbraw/zinc/07/20/25/1003072025.db2.gz	HVSZICKRENTFFV-SFHVURJKSA-N	1	0	370.497	1.967	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCOC2(CC[NH+](C[C@@H](C)OC)CC2)C1	ZINC000949209907	1003103482	/nfs/dbraw/zinc/10/34/82/1003103482.db2.gz	WCDILLUTAOQLJS-SQNIBIBYSA-N	1	0	366.502	1.696	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)cc1C#N	ZINC000930548426	1003258849	/nfs/dbraw/zinc/25/88/49/1003258849.db2.gz	BUGXGGCXCKOZNB-UHFFFAOYSA-N	1	0	360.458	1.229	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)C[N@H+](C[C@@H]1CCOC1)CCO2	ZINC000949476970	1003378530	/nfs/dbraw/zinc/37/85/30/1003378530.db2.gz	MFGYDLXPGANVFF-KSZLIROESA-N	1	0	364.486	1.307	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@H]2C)cc1	ZINC000949536137	1003456269	/nfs/dbraw/zinc/45/62/69/1003456269.db2.gz	ZQEWDZBNOGZYES-XWPNQZOQSA-N	1	0	367.493	1.975	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1	ZINC000930801624	1003521659	/nfs/dbraw/zinc/52/16/59/1003521659.db2.gz	GVFCZUHWWWFHTK-HNAYVOBHSA-N	1	0	358.442	1.999	20	30		FDEDRO
CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@@H+]2CCC[C@H](CC#N)C2)CCC1	ZINC000930924693	1003668984	/nfs/dbraw/zinc/66/89/84/1003668984.db2.gz	RASRLLQOGRWNSD-HUUCEWRRSA-N	1	0	357.520	1.614	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000930956982	1003712144	/nfs/dbraw/zinc/71/21/44/1003712144.db2.gz	IEGSHCUEEYIBTJ-JKSUJKDBSA-N	1	0	360.483	1.711	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)C3(C4CC4)CC3)C2)CC1	ZINC000949864884	1003759500	/nfs/dbraw/zinc/75/95/00/1003759500.db2.gz	MSWRSLUYYZKFSY-CRAIPNDOSA-N	1	0	357.498	1.485	20	30		FDEDRO
CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1)[NH+]1CCCC1	ZINC000949890305	1003781088	/nfs/dbraw/zinc/78/10/88/1003781088.db2.gz	HEQPDAPCXZSHOW-ZTFGCOKTSA-N	1	0	371.485	1.583	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1cccc(OC)c1C)C1CC[NH+](C)CC1	ZINC000931032300	1003794374	/nfs/dbraw/zinc/79/43/74/1003794374.db2.gz	BPZBWYRECCFSLR-UHFFFAOYSA-N	1	0	357.454	1.176	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2cc(N3CCNC3=O)ccc2C)CC1	ZINC000931113902	1003899871	/nfs/dbraw/zinc/89/98/71/1003899871.db2.gz	ZSASOBOEDIARPI-UHFFFAOYSA-N	1	0	355.442	1.744	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)CN2CCC([N@@H+]3CCCOCC3)CC2)cc1	ZINC000931285304	1004025999	/nfs/dbraw/zinc/02/59/99/1004025999.db2.gz	JRFUSKGNFFLTIR-FQEVSTJZSA-N	1	0	373.497	1.679	20	30		FDEDRO
N#Cc1cccc(CNC(=O)CN2CCC([N@@H+]3CCCOCC3)CC2)c1	ZINC000931290654	1004030388	/nfs/dbraw/zinc/03/03/88/1004030388.db2.gz	PALDLHYGPWWXDV-UHFFFAOYSA-N	1	0	356.470	1.361	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1	ZINC000931594817	1004298869	/nfs/dbraw/zinc/29/88/69/1004298869.db2.gz	SJMJCRVVCSAJQM-MRXNPFEDSA-N	1	0	358.417	1.400	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)NCC[N@@H+](C)[C@H](C)CC)c1	ZINC000931658535	1004375932	/nfs/dbraw/zinc/37/59/32/1004375932.db2.gz	JCFRUKZGZJGMMO-OAHLLOKOSA-N	1	0	350.484	1.944	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Nc1ccc(C)c(N2C(=O)CNC2=O)c1	ZINC000931715991	1004438153	/nfs/dbraw/zinc/43/81/53/1004438153.db2.gz	DWKSHUBZGBRYAS-UHFFFAOYSA-N	1	0	357.414	1.128	20	30		FDEDRO
C[C@@]1([C@H]2CCC[N@H+](CC(=O)NCc3cccc(C#N)c3)C2)COC(=O)N1	ZINC000932027536	1004716272	/nfs/dbraw/zinc/71/62/72/1004716272.db2.gz	QNOKAIGWQLWQKT-LPHOPBHVSA-N	1	0	356.426	1.385	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F	ZINC000932068591	1004750629	/nfs/dbraw/zinc/75/06/29/1004750629.db2.gz	MAFVVCVYVYQMAR-NUEKZKHPSA-N	1	0	353.388	1.777	20	30		FDEDRO
C[C@@]1(C2CC[NH+](C[C@@H](O)COc3ccccc3C#N)CC2)COC(=O)N1	ZINC000932099991	1004769727	/nfs/dbraw/zinc/76/97/27/1004769727.db2.gz	NEQRBYVUERHHJY-APWZRJJASA-N	1	0	359.426	1.508	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Cn2nc(C(F)(F)F)c3c2CCOC3)CC1	ZINC000932140423	1004790175	/nfs/dbraw/zinc/79/01/75/1004790175.db2.gz	BCHJHOXNTPXZLJ-UHFFFAOYSA-N	1	0	372.391	1.741	20	30		FDEDRO
CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2ccc(C)c(C#N)c2)C1	ZINC000932475384	1004978221	/nfs/dbraw/zinc/97/82/21/1004978221.db2.gz	OAXOHIAVBVAQFQ-QGZVFWFLSA-N	1	0	356.470	1.673	20	30		FDEDRO
CC[N@H+](CCC(N)=O)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000932480119	1004981566	/nfs/dbraw/zinc/98/15/66/1004981566.db2.gz	BDLPTOPDNYUBQL-UHFFFAOYSA-N	1	0	355.360	1.370	20	30		FDEDRO
C=CC1(CC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CN(C(=O)OC(C)(C)C)C1	ZINC000932527429	1005002249	/nfs/dbraw/zinc/00/22/49/1005002249.db2.gz	WRVJNULDJZUKKP-OAHLLOKOSA-N	1	0	366.506	1.162	20	30		FDEDRO
COC(=O)c1cnc([C@@H]2CC[N@H+](CCC(=O)N(C)CCC#N)C2)s1	ZINC000932665125	1005078927	/nfs/dbraw/zinc/07/89/27/1005078927.db2.gz	AJNWGQVQKKDLOY-GFCCVEGCSA-N	1	0	350.444	1.481	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C1	ZINC000932725989	1005129625	/nfs/dbraw/zinc/12/96/25/1005129625.db2.gz	LZOZYDUMFXTXAZ-OWCLPIDISA-N	1	0	364.490	1.936	20	30		FDEDRO
N#CC[C@H](NC(=O)NCC(=O)NCC[NH+]1CCCCCC1)C(F)(F)F	ZINC000932900484	1005236169	/nfs/dbraw/zinc/23/61/69/1005236169.db2.gz	UHSNVPDMDODRKX-LBPRGKRZSA-N	1	0	363.384	1.122	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@H](CC#N)C(F)(F)F)C1	ZINC000932914529	1005242123	/nfs/dbraw/zinc/24/21/23/1005242123.db2.gz	CJTZNMBUXZITGF-QWHCGFSZSA-N	1	0	350.385	1.973	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3cc[nH]c31)C2	ZINC001111047783	1005291988	/nfs/dbraw/zinc/29/19/88/1005291988.db2.gz	XNOXMAJJAZUZNP-NZPGVSJUSA-N	1	0	364.449	1.641	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1cccc(OC)c1)C2	ZINC001111051293	1005522301	/nfs/dbraw/zinc/52/23/01/1005522301.db2.gz	AZLDVMBDPRXYSI-LZQZEXGQSA-N	1	0	360.454	1.998	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)CCCCC1	ZINC000933263952	1005527445	/nfs/dbraw/zinc/52/74/45/1005527445.db2.gz	PZNZIZWNJYTDHG-UHFFFAOYSA-N	1	0	361.408	1.781	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N([C@H]2CCS(=O)(=O)C2)C2CCCCC2)CCC1	ZINC000933304873	1005535696	/nfs/dbraw/zinc/53/56/96/1005535696.db2.gz	UYHXFVUCDRUOFM-KRWDZBQOSA-N	1	0	366.527	1.870	20	30		FDEDRO
C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]C[C@@H](O)CC1(C#N)CCOCC1	ZINC000933445914	1005558919	/nfs/dbraw/zinc/55/89/19/1005558919.db2.gz	RHBOIBZZDZEJEG-ROUUACIJSA-N	1	0	350.434	1.780	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2CCO[C@@H](c3ccc(C#N)cc3)C2)CC1	ZINC000933624093	1005590965	/nfs/dbraw/zinc/59/09/65/1005590965.db2.gz	UREUYGCBHCBUNY-LJQANCHMSA-N	1	0	356.470	1.532	20	30		FDEDRO
Cc1nc2ccccn2c(=O)c1CC[NH+]1CCC2(CC1)CC(=O)C=CO2	ZINC000933646427	1005597826	/nfs/dbraw/zinc/59/78/26/1005597826.db2.gz	KGKCDAURJOBZOI-UHFFFAOYSA-N	1	0	353.422	1.883	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)nc1C(F)(F)F)C2	ZINC001111068158	1005689132	/nfs/dbraw/zinc/68/91/32/1005689132.db2.gz	VLNWEDFETDMUDO-BNOWGMLFSA-N	1	0	372.391	1.977	20	30		FDEDRO
N#Cc1ccc(NC(=O)CN2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cc1Cl	ZINC000934258997	1005723379	/nfs/dbraw/zinc/72/33/79/1005723379.db2.gz	CVBZIWBBVBLDBV-IRXDYDNUSA-N	1	0	362.861	1.681	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCC[C@H]([C@H]3CCOC3)C2)nc1	ZINC000934834687	1005806948	/nfs/dbraw/zinc/80/69/48/1005806948.db2.gz	RIKFMTUIYLCMQU-IRXDYDNUSA-N	1	0	363.483	1.866	20	30		FDEDRO
COc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)CC(=O)N(C)C)C3)cc1C#N	ZINC001111114315	1006263067	/nfs/dbraw/zinc/26/30/67/1006263067.db2.gz	QWBOTFSQECOGAQ-ZACQAIPSSA-N	1	0	370.453	1.267	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(n3cnnn3)CCOCC1)C2	ZINC001111123788	1006311347	/nfs/dbraw/zinc/31/13/47/1006311347.db2.gz	JNUCMDCFYTYOGE-HZMVEIRTSA-N	1	0	374.489	1.255	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@]2(O)CCN(c3cccc(F)c3C#N)C2)CC[N@@H+]1C	ZINC001111141821	1006408510	/nfs/dbraw/zinc/40/85/10/1006408510.db2.gz	KGDXDUPCDSXWGX-PJIJBLCYSA-N	1	0	360.433	1.095	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](CC)CC)C2	ZINC001111171454	1006596016	/nfs/dbraw/zinc/59/60/16/1006596016.db2.gz	FAUKXXHJQNDFHF-KURKYZTESA-N	1	0	362.518	1.250	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC(N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cn1	ZINC000954412627	1006750869	/nfs/dbraw/zinc/75/08/69/1006750869.db2.gz	NAHIFIRDKYMILV-ZWKOTPCHSA-N	1	0	354.454	1.076	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1	ZINC000954787988	1007024751	/nfs/dbraw/zinc/02/47/51/1007024751.db2.gz	MTNSMNUGPNIZCP-SJORKVTESA-N	1	0	363.502	1.511	20	30		FDEDRO
NC(=O)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#Cc1ccccc1	ZINC001111260317	1007276209	/nfs/dbraw/zinc/27/62/09/1007276209.db2.gz	PNOHETMBUDHMKA-QRVBRYPASA-N	1	0	353.466	1.805	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(C(=O)NCC(F)(F)F)CC1	ZINC000642099017	1007313522	/nfs/dbraw/zinc/31/35/22/1007313522.db2.gz	PWBLVNHBXDXGJN-CYBMUJFWSA-N	1	0	361.408	1.966	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C#N)c[nH]2)C1	ZINC001007263292	1007390192	/nfs/dbraw/zinc/39/01/92/1007390192.db2.gz	GVZVZTOWAIDFMZ-KNBMTAEXSA-N	1	0	369.469	1.482	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000957013867	1007530056	/nfs/dbraw/zinc/53/00/56/1007530056.db2.gz	KYBJQHRGPVNRIG-ZSZQSSIHSA-N	1	0	357.458	1.337	20	30		FDEDRO
Cc1cc(NC(=O)NCC#CCO)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1	ZINC000639856692	1007599196	/nfs/dbraw/zinc/59/91/96/1007599196.db2.gz	JLGXMFAPQXMMJR-SFHVURJKSA-N	1	0	367.453	1.756	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@]2(C)CCN(C(=O)[C@]34C[C@H]3CCC4)C2)CC1	ZINC000957070051	1007645680	/nfs/dbraw/zinc/64/56/80/1007645680.db2.gz	LTJFOEPJAMNBQD-DUXKGJEZSA-N	1	0	357.498	1.629	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)C1CC[NH+](C)CC1	ZINC000956037318	1007800476	/nfs/dbraw/zinc/80/04/76/1007800476.db2.gz	VYIKHTUXBNOTMN-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CCCN2C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)cn1	ZINC000956038531	1007805980	/nfs/dbraw/zinc/80/59/80/1007805980.db2.gz	LDAZYOMGUXTDJJ-GBESFXJTSA-N	1	0	368.481	1.514	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1	ZINC000949937475	1008541956	/nfs/dbraw/zinc/54/19/56/1008541956.db2.gz	ZUESIVDCSJMDRZ-RVKKMQEKSA-N	1	0	371.485	1.441	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCN1C(=O)C[N@@H+](C)C1CCC1	ZINC000950193253	1008819080	/nfs/dbraw/zinc/81/90/80/1008819080.db2.gz	UDTDARUUJKWZTF-AOIWGVFYSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)CC[NH+]1CCCCC1	ZINC000950234902	1008922693	/nfs/dbraw/zinc/92/26/93/1008922693.db2.gz	DRNVLLSSDPPCFT-KURKYZTESA-N	1	0	363.502	1.561	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@H]([NH2+]CC2CCS(=O)(=O)CC2)[C@@H](C#N)C1	ZINC000779416497	1009130856	/nfs/dbraw/zinc/13/08/56/1009130856.db2.gz	NZVIGQGSINBULE-KBPBESRZSA-N	1	0	357.476	1.160	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1	ZINC000646951743	1009326806	/nfs/dbraw/zinc/32/68/06/1009326806.db2.gz	LWKPNAKXHFILMR-GOSISDBHSA-N	1	0	357.454	1.154	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@H]2C)cn1	ZINC000950674462	1009502782	/nfs/dbraw/zinc/50/27/82/1009502782.db2.gz	ZVTPPTSXQOPBAT-AYOQOUSVSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(N(C)C)c1)C2	ZINC001111318513	1009506652	/nfs/dbraw/zinc/50/66/52/1009506652.db2.gz	DKZKOVMNSOXMDD-AXUOBQJMSA-N	1	0	370.497	1.778	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(-c2nc([C@H]3CCC[NH2+]3)no2)ccc1F	ZINC000647153022	1009514257	/nfs/dbraw/zinc/51/42/57/1009514257.db2.gz	RPFPHBBZKRKOMS-GFCCVEGCSA-N	1	0	352.391	1.765	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCc2ccc3c(c2)OCO3)CC1	ZINC000303768293	1009571982	/nfs/dbraw/zinc/57/19/82/1009571982.db2.gz	AFUBMUOZOVZAMB-UHFFFAOYSA-N	1	0	362.430	1.483	20	30		FDEDRO
CC(C)(C)OC(=O)NCCNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1	ZINC000303775735	1009576167	/nfs/dbraw/zinc/57/61/67/1009576167.db2.gz	GZIWQIVPYFGMFF-UHFFFAOYSA-N	1	0	365.453	1.787	20	30		FDEDRO
CCC[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCC(Nc2ccncc2C#N)CC1	ZINC001111322386	1009590895	/nfs/dbraw/zinc/59/08/95/1009590895.db2.gz	GVULYJTZEPWBKO-CRAIPNDOSA-N	1	0	355.486	1.804	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH+]1CCC(Nc2cccc(F)n2)CC1	ZINC001111321662	1009599433	/nfs/dbraw/zinc/59/94/33/1009599433.db2.gz	XVUDHTJJUKZFEB-CVEARBPZSA-N	1	0	362.449	1.804	20	30		FDEDRO
Cc1cc(C#N)nc(NC2CC[NH+](CCNC(=O)[C@@H]3C[C@H]3C3CC3)CC2)n1	ZINC001111323465	1009610184	/nfs/dbraw/zinc/61/01/84/1009610184.db2.gz	DEIHYWCDRGPATQ-ZWKOTPCHSA-N	1	0	368.485	1.695	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3nnn(C)c3c1)C2	ZINC001111327397	1009633336	/nfs/dbraw/zinc/63/33/36/1009633336.db2.gz	YBNXPVNOEBTUHA-OIISXLGYSA-N	1	0	355.442	1.506	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCCCN2CCOCC2)cc1OC(F)F	ZINC000303901308	1009684174	/nfs/dbraw/zinc/68/41/74/1009684174.db2.gz	SQAVBEOSTVVLNL-UHFFFAOYSA-N	1	0	372.416	1.423	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCOC)CCOCC1	ZINC001111332572	1009712648	/nfs/dbraw/zinc/71/26/48/1009712648.db2.gz	FRQKSCFFOVBVKL-KURKYZTESA-N	1	0	366.502	1.744	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCO[C@H]1c1cnn(C)c1	ZINC000960329883	1009990997	/nfs/dbraw/zinc/99/09/97/1009990997.db2.gz	RGURPMUPKXFKOO-GFEQUFNTSA-N	1	0	358.486	1.900	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC000950986604	1010219249	/nfs/dbraw/zinc/21/92/49/1010219249.db2.gz	FFTHPLLDIIQAMW-FHLIZLRMSA-N	1	0	354.454	1.124	20	30		FDEDRO
[NH2+]=C(NCCNC(=O)Cc1cccc(F)c1)N[C@@H]1CCOc2ccccc21	ZINC000304510233	1010231716	/nfs/dbraw/zinc/23/17/16/1010231716.db2.gz	SNRVYQZKYLVPFJ-QGZVFWFLSA-N	1	0	370.428	1.913	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cn1	ZINC000950996177	1010266868	/nfs/dbraw/zinc/26/68/68/1010266868.db2.gz	JIWMNKIYCHZOOJ-GBESFXJTSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)nn1	ZINC000648269115	1010328388	/nfs/dbraw/zinc/32/83/88/1010328388.db2.gz	DGOGXZPMRWQGAY-AWEZNQCLSA-N	1	0	372.448	1.846	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1	ZINC000951094582	1010441838	/nfs/dbraw/zinc/44/18/38/1010441838.db2.gz	GOEAFVKSCVDGCD-ULQDDVLXSA-N	1	0	363.502	1.559	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCCCNC(=O)C2CCC2)CC1	ZINC000304756811	1010478084	/nfs/dbraw/zinc/47/80/84/1010478084.db2.gz	ZXQFZOQIMWHQFG-UHFFFAOYSA-N	1	0	367.494	1.160	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NC2CN(C(=O)OC(C)(C)C)C2)cc1OC	ZINC000304810324	1010498277	/nfs/dbraw/zinc/49/82/77/1010498277.db2.gz	KTLBSEBMYIDJFF-UHFFFAOYSA-N	1	0	364.446	1.727	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1	ZINC000951151623	1010514946	/nfs/dbraw/zinc/51/49/46/1010514946.db2.gz	KZGRUQGXCPUKII-BZUAXINKSA-N	1	0	367.453	1.922	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1	ZINC000959680366	1010573510	/nfs/dbraw/zinc/57/35/10/1010573510.db2.gz	JMTPMXWXSFFFHE-VQHPVUNQSA-N	1	0	363.502	1.415	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)cc1	ZINC000951236499	1010630255	/nfs/dbraw/zinc/63/02/55/1010630255.db2.gz	AUVJCDXJXFJXKG-ATZDWAIDSA-N	1	0	369.465	1.108	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1	ZINC000951256005	1010654791	/nfs/dbraw/zinc/65/47/91/1010654791.db2.gz	WCPGBDCOXOFZJJ-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@]2(CO)CCCN(c3ccncc3C#N)C2)CC[N@@H+]1C	ZINC001111373670	1010842909	/nfs/dbraw/zinc/84/29/09/1010842909.db2.gz	NBPBHIWIAIFZPQ-QKLQHJQFSA-N	1	0	371.485	1.131	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1	ZINC000952037137	1011171306	/nfs/dbraw/zinc/17/13/06/1011171306.db2.gz	VRZDTNCQJVYNHX-ZACQAIPSSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1	ZINC001006484035	1011181534	/nfs/dbraw/zinc/18/15/34/1011181534.db2.gz	HDHVOQLZKKVBID-VHSSKADRSA-N	1	0	368.437	1.502	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1	ZINC000952065361	1011199300	/nfs/dbraw/zinc/19/93/00/1011199300.db2.gz	YSVBBYGHNMIBGG-BBWFWOEESA-N	1	0	361.486	1.313	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC(CNCc2nc(N(C)C)no2)C1	ZINC000962415113	1011244413	/nfs/dbraw/zinc/24/44/13/1011244413.db2.gz	XZGFUWXELQRAMH-UJJWPFCGSA-N	1	0	363.462	1.101	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2ccco2)CC1	ZINC000952220727	1011517353	/nfs/dbraw/zinc/51/73/53/1011517353.db2.gz	ZHYGQMBFVVBYTR-RCCFBDPRSA-N	1	0	369.465	1.445	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CS(=O)(=O)NC(C)(C)C)C2	ZINC001111419808	1012487567	/nfs/dbraw/zinc/48/75/67/1012487567.db2.gz	PMYCOYYLZMMCIB-FPCVCCKLSA-N	1	0	371.547	1.781	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@H+]2C[C@H](O)C[C@@H]2COC)c(OC)c1	ZINC000649761111	1012556714	/nfs/dbraw/zinc/55/67/14/1012556714.db2.gz	LTIGCSAIVAEWIY-ZACQAIPSSA-N	1	0	351.443	1.245	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4C[C@H]4CC)C[C@@H]3C2)CC1	ZINC000961737604	1012779065	/nfs/dbraw/zinc/77/90/65/1012779065.db2.gz	IPAAOVJAULAWTI-OQIJWPOYSA-N	1	0	357.498	1.295	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(OC)c(F)c3)C[C@H]21	ZINC000961824894	1012894820	/nfs/dbraw/zinc/89/48/20/1012894820.db2.gz	KYLILFZEOLUFKQ-JBFGMIDGSA-N	1	0	360.429	1.972	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NC2CC(C[NH2+]Cc3ccc(C#N)s3)C2)C1	ZINC000961848697	1012939290	/nfs/dbraw/zinc/93/92/90/1012939290.db2.gz	RWKMKTHMCCEAOX-NEQJSVFRSA-N	1	0	360.483	1.519	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ncnn2CCF)C1	ZINC000961853173	1012945571	/nfs/dbraw/zinc/94/55/71/1012945571.db2.gz	LMZMTSLRWPRXCV-FJBKBRRZSA-N	1	0	365.453	1.213	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCC([NH2+]Cc2nncs2)CC1	ZINC000963926378	1012971443	/nfs/dbraw/zinc/97/14/43/1012971443.db2.gz	JZIORGBBVPEGHI-CVSAEHQPSA-N	1	0	350.488	1.988	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000953974201	1012993867	/nfs/dbraw/zinc/99/38/67/1012993867.db2.gz	RPOHDUVKMWHWAK-BZSNNMDCSA-N	1	0	363.502	1.511	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)cc1	ZINC000796508392	1017179066	/nfs/dbraw/zinc/17/90/66/1017179066.db2.gz	ATLCDHFCQFKRIC-GDBMZVCRSA-N	1	0	351.472	1.881	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)cc1	ZINC000796513060	1017395911	/nfs/dbraw/zinc/39/59/11/1017395911.db2.gz	JFLIZOBOGMYRLR-SFHVURJKSA-N	1	0	364.515	1.940	20	30		FDEDRO
CCOC(=O)C1CCC(O)(C[NH+]2CCN(c3ncccc3C#N)CC2)CC1	ZINC000190794364	178023269	/nfs/dbraw/zinc/02/32/69/178023269.db2.gz	XCBPJUVTGBQEDF-UHFFFAOYSA-N	1	0	372.469	1.560	20	30		FDEDRO
C[C@H](O)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H](C)CO	ZINC000190847638	178027742	/nfs/dbraw/zinc/02/77/42/178027742.db2.gz	VGCQCWWFYDOPSZ-RYUDHWBXSA-N	1	0	351.472	1.501	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C1CC[NH+](C2CC2)CC1	ZINC000192708938	178128613	/nfs/dbraw/zinc/12/86/13/178128613.db2.gz	IASCEKMZNGFARU-AWEZNQCLSA-N	1	0	354.458	1.260	20	30		FDEDRO
N#Cc1cc(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)ccn1	ZINC000193256885	178154498	/nfs/dbraw/zinc/15/44/98/178154498.db2.gz	QJLCZVKVJSTDLM-UHFFFAOYSA-N	1	0	350.422	1.840	20	30		FDEDRO
CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000193358888	178158756	/nfs/dbraw/zinc/15/87/56/178158756.db2.gz	AGKAOJMXVXYIEY-AWEZNQCLSA-N	1	0	359.474	1.853	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccc(C[NH+]2CCCC2)cc1	ZINC000509399630	538948762	/nfs/dbraw/zinc/94/87/62/538948762.db2.gz	AGVCCHXFIXBEGF-HNNXBMFYSA-N	1	0	350.488	1.851	20	30		FDEDRO
C[C@H]1C[C@H](CCNC(=O)Cn2cnc(C#N)n2)C[N@@H+]1Cc1ccccc1	ZINC000510085476	538952658	/nfs/dbraw/zinc/95/26/58/538952658.db2.gz	IIHBXBXGKBKYAC-RDJZCZTQSA-N	1	0	352.442	1.567	20	30		FDEDRO
COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1	ZINC000513393756	538994742	/nfs/dbraw/zinc/99/47/42/538994742.db2.gz	DHKWHPMLVFTJHY-GDBMZVCRSA-N	1	0	358.442	1.360	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	ZINC000520295406	539507517	/nfs/dbraw/zinc/50/75/17/539507517.db2.gz	FRCYXROOIZEVJD-IBGZPJMESA-N	1	0	351.491	1.154	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1	ZINC000264043517	179019443	/nfs/dbraw/zinc/01/94/43/179019443.db2.gz	GYYQAYAXBVBMIN-INIZCTEOSA-N	1	0	371.485	1.815	20	30		FDEDRO
CNC(=O)c1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cn1	ZINC000264217996	179052643	/nfs/dbraw/zinc/05/26/43/179052643.db2.gz	VPLVYPRMQDIYPX-UHFFFAOYSA-N	1	0	365.437	1.517	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)COc2ccccc2C#N)CC1	ZINC000264371810	179090846	/nfs/dbraw/zinc/09/08/46/179090846.db2.gz	CTCABJUFMCMWBG-GOSISDBHSA-N	1	0	356.470	1.566	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@H+](CCO)CCOCC(F)(F)F)cc1	ZINC000264896274	179233473	/nfs/dbraw/zinc/23/34/73/179233473.db2.gz	TZFUWQFBWLHZPE-AWEZNQCLSA-N	1	0	362.348	1.171	20	30		FDEDRO
N#Cc1ccc(OCC[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)cc1	ZINC000265495280	179391087	/nfs/dbraw/zinc/39/10/87/179391087.db2.gz	WRAGGUWKFHRNJQ-UHFFFAOYSA-N	1	0	350.422	1.858	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CC1	ZINC000528288515	539744361	/nfs/dbraw/zinc/74/43/61/539744361.db2.gz	WYDXCOJANUJWHD-SFHVURJKSA-N	1	0	368.485	1.802	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000268198733	180023056	/nfs/dbraw/zinc/02/30/56/180023056.db2.gz	QYGQJDQNCMFSNX-CXAGYDPISA-N	1	0	370.453	1.883	20	30		FDEDRO
CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1	ZINC000268272829	180041322	/nfs/dbraw/zinc/04/13/22/180041322.db2.gz	UPPMRNUTFGFZLQ-DOTOQJQBSA-N	1	0	356.474	1.514	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1	ZINC000268596894	180123012	/nfs/dbraw/zinc/12/30/12/180123012.db2.gz	KSUIMJYYXMAUTP-OAHLLOKOSA-N	1	0	358.442	1.599	20	30		FDEDRO
CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCCOc1cccc(C#N)c1	ZINC000268702265	180144574	/nfs/dbraw/zinc/14/45/74/180144574.db2.gz	RMHIRKWBDUUKMQ-INIZCTEOSA-N	1	0	351.472	1.731	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1	ZINC000269008188	180196779	/nfs/dbraw/zinc/19/67/79/180196779.db2.gz	LORZCDOELZDFNC-ZBFHGGJFSA-N	1	0	356.426	1.448	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC2(CCOCC2)CC[C@@H]1CO	ZINC000528637827	539772132	/nfs/dbraw/zinc/77/21/32/539772132.db2.gz	HYGOTKOXFMVFGE-QZTJIDSGSA-N	1	0	360.454	1.551	20	30		FDEDRO
CCOC(=O)NCCCC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000269707868	180367581	/nfs/dbraw/zinc/36/75/81/180367581.db2.gz	MKFYGVHXOJUVOF-UHFFFAOYSA-N	1	0	360.458	1.975	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCN(Cc2ccccc2)C1=O	ZINC000530232325	539915837	/nfs/dbraw/zinc/91/58/37/539915837.db2.gz	YBUXFTCOBCBXMX-OALUTQOASA-N	1	0	365.433	1.689	20	30		FDEDRO
Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000274074063	181021385	/nfs/dbraw/zinc/02/13/85/181021385.db2.gz	VHRDEPPWXVWTFS-GOSISDBHSA-N	1	0	364.453	1.995	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)Cc2cccc(C#N)c2)c1	ZINC000530919076	540069442	/nfs/dbraw/zinc/06/94/42/540069442.db2.gz	AAOCVJFWLGKCME-UHFFFAOYSA-N	1	0	364.449	1.709	20	30		FDEDRO
CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)CC1	ZINC000275212206	181262170	/nfs/dbraw/zinc/26/21/70/181262170.db2.gz	GJRRADHCMNYUEG-UHFFFAOYSA-N	1	0	374.441	1.076	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)n(CCC#N)n1	ZINC000533459991	540251057	/nfs/dbraw/zinc/25/10/57/540251057.db2.gz	PVPFWBOKTJHAFT-UHFFFAOYSA-N	1	0	362.478	1.669	20	30		FDEDRO
N#Cc1cnc(C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c(Cl)c1	ZINC000534130625	540327703	/nfs/dbraw/zinc/32/77/03/540327703.db2.gz	RCQAGBYGYRNSGT-JKSUJKDBSA-N	1	0	370.840	1.972	20	30		FDEDRO
COc1ccc(NC(=O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)cc1OC	ZINC000534832522	540416919	/nfs/dbraw/zinc/41/69/19/540416919.db2.gz	VVZLILWBSYJIMM-UHFFFAOYSA-N	1	0	372.429	1.384	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)nn2-c2ccccc2)CC1	ZINC000535641426	540489442	/nfs/dbraw/zinc/48/94/42/540489442.db2.gz	FGMFKCQGLSBJJO-UHFFFAOYSA-N	1	0	367.453	1.886	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C1CCOCC1	ZINC000537251526	540707128	/nfs/dbraw/zinc/70/71/28/540707128.db2.gz	IESHFJNJBNKBLG-MRXNPFEDSA-N	1	0	362.499	1.568	20	30		FDEDRO
COc1ccc(C(=O)NCCN2CC[NH+](CCC(C)(C)C#N)CC2)cc1	ZINC000537386649	540725311	/nfs/dbraw/zinc/72/53/11/540725311.db2.gz	YUAHESCQXIMNAP-UHFFFAOYSA-N	1	0	358.486	1.982	20	30		FDEDRO
C[C@]1(c2ccc(C[NH2+]Cc3cnc4ccc(C#N)cn34)cc2)NC(=O)NC1=O	ZINC000538396751	540852911	/nfs/dbraw/zinc/85/29/11/540852911.db2.gz	YFTZBMYLIQIDTG-HXUWFJFHSA-N	1	0	374.404	1.550	20	30		FDEDRO
CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H](C)n2cnc(C#N)n2)CC1	ZINC000539505949	540967886	/nfs/dbraw/zinc/96/78/86/540967886.db2.gz	OUGACFULJFRRIM-CQSZACIVSA-N	1	0	353.430	1.491	20	30		FDEDRO
N#Cc1ccc2ncc(CNC[C@]3(O)CC[N@H+](Cc4ccccc4)C3)n2c1	ZINC000539516117	540968174	/nfs/dbraw/zinc/96/81/74/540968174.db2.gz	WZTXAZSVUBCLSZ-OAQYLSRUSA-N	1	0	361.449	1.933	20	30		FDEDRO
Cc1onc(CC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1C#N	ZINC000540925878	541115539	/nfs/dbraw/zinc/11/55/39/541115539.db2.gz	YVDVKCFTMZJPNW-LJQANCHMSA-N	1	0	354.410	1.150	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)C2=O)cc1	ZINC000543723250	541645837	/nfs/dbraw/zinc/64/58/37/541645837.db2.gz	DSCXAJMQISPQCR-CRAIPNDOSA-N	1	0	367.453	1.590	20	30		FDEDRO
COc1cc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)ccc1C#N	ZINC000282427451	182010143	/nfs/dbraw/zinc/01/01/43/182010143.db2.gz	SYZSHJWGUYCOHV-INIZCTEOSA-N	1	0	351.472	1.861	20	30		FDEDRO
CCCN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CC(=O)N(C)C1=O	ZINC000282470360	182016588	/nfs/dbraw/zinc/01/65/88/182016588.db2.gz	KRRQZFDBDZJTRB-CQSZACIVSA-N	1	0	353.382	1.578	20	30		FDEDRO
CCN(C(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)[C@@H](C)c1ccc(C#N)cc1	ZINC000282902898	182074297	/nfs/dbraw/zinc/07/42/97/182074297.db2.gz	CUPYDEAPBONZPZ-UGSOOPFHSA-N	1	0	353.426	1.938	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1ccccn1	ZINC000283393292	182172785	/nfs/dbraw/zinc/17/27/85/182172785.db2.gz	XJZDICPOZUGENC-UHFFFAOYSA-N	1	0	365.437	1.160	20	30		FDEDRO
C[NH+]1CCC(NS(=O)(=O)c2cccc(Br)c2C#N)CC1	ZINC000283549524	182212210	/nfs/dbraw/zinc/21/22/10/182212210.db2.gz	OAEIQHKQQNROQH-UHFFFAOYSA-N	1	0	358.261	1.693	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1	ZINC000283852209	182293531	/nfs/dbraw/zinc/29/35/31/182293531.db2.gz	FTSKAHRMMHDJKT-OLMNPRSZSA-N	1	0	354.454	1.821	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1)[NH+]1CCC(C)CC1	ZINC000283857205	182294861	/nfs/dbraw/zinc/29/48/61/182294861.db2.gz	FXRGRBDHXXFAAG-CVEARBPZSA-N	1	0	356.470	1.972	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000545296614	541928398	/nfs/dbraw/zinc/92/83/98/541928398.db2.gz	NTDJVISPONENEC-KBPBESRZSA-N	1	0	374.441	1.121	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1	ZINC000545295546	541928534	/nfs/dbraw/zinc/92/85/34/541928534.db2.gz	JUHCOUHDRBRQDI-INIZCTEOSA-N	1	0	372.469	1.990	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NCc1cccc(C#N)c1)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000284108278	182367278	/nfs/dbraw/zinc/36/72/78/182367278.db2.gz	UJSFILXCUOZLIZ-YJBOKZPZSA-N	1	0	368.481	1.944	20	30		FDEDRO
COc1ccc([C@@H](CNC(=O)[C@H](C)n2cnc(C#N)n2)[NH+]2CCCC2)cc1	ZINC000545967157	542061057	/nfs/dbraw/zinc/06/10/57/542061057.db2.gz	WKVQZSOUOCGPDD-WMLDXEAASA-N	1	0	368.441	1.673	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)CC2(C#N)CCCC2)C1	ZINC000546063765	542088212	/nfs/dbraw/zinc/08/82/12/542088212.db2.gz	NHEKWGCUZCAEPF-MRXNPFEDSA-N	1	0	357.520	1.833	20	30		FDEDRO
COC(=O)[C@](C)(C[NH2+]C[C@@H]1CNc2c(C#N)cnn2C1)c1ccc(F)cc1	ZINC000570570440	549329444	/nfs/dbraw/zinc/32/94/44/549329444.db2.gz	PYBIGZJKHBOOAH-BFUOFWGJSA-N	1	0	371.416	1.656	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(C(=O)NCc2cccc(C#N)c2)CC1	ZINC000286617135	183110549	/nfs/dbraw/zinc/11/05/49/183110549.db2.gz	MIWCMWAICUTMJM-UHFFFAOYSA-N	1	0	374.485	1.827	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(C(=O)c2cc(C#N)cs2)CC1	ZINC000286803482	183149040	/nfs/dbraw/zinc/14/90/40/183149040.db2.gz	WQNFMCZNFLBUGQ-UHFFFAOYSA-N	1	0	351.472	1.819	20	30		FDEDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1ccc(C#N)c(Br)c1	ZINC000287178627	183229070	/nfs/dbraw/zinc/22/90/70/183229070.db2.gz	KBYDWOVOZUDBDQ-ZDUSSCGKSA-N	1	0	366.263	1.688	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1	ZINC000546708583	542205865	/nfs/dbraw/zinc/20/58/65/542205865.db2.gz	DICBKJXCMNKRAP-UHFFFAOYSA-N	1	0	370.453	1.982	20	30		FDEDRO
C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cn1)[C@@H](c1ccccc1)[NH+](C)C	ZINC000294864893	184014781	/nfs/dbraw/zinc/01/47/81/184014781.db2.gz	TYRMLQOUSZSNIG-GUYCJALGSA-N	1	0	351.410	1.699	20	30		FDEDRO
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2ncc(C#N)cc2[N+](=O)[O-])CC1	ZINC000294786008	184008941	/nfs/dbraw/zinc/00/89/41/184008941.db2.gz	AYIMHSKQMAVAKE-HUUCEWRRSA-N	1	0	358.446	1.856	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC[N@@H+](C2CC2)C1	ZINC000296373681	184159239	/nfs/dbraw/zinc/15/92/39/184159239.db2.gz	WJAYCPDVGAXDDK-CQSZACIVSA-N	1	0	371.485	1.996	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](C(=O)NCC[NH+]3CCC(O)CC3)C2)c(F)c1	ZINC000296745811	184196353	/nfs/dbraw/zinc/19/63/53/184196353.db2.gz	AYMKETCFUOBHEB-OAHLLOKOSA-N	1	0	360.433	1.097	20	30		FDEDRO
C[C@@H](C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)[NH+]1[C@@H](C)CC[C@@H]1C	ZINC000298057761	184383960	/nfs/dbraw/zinc/38/39/60/184383960.db2.gz	HOXSFSWZCJROLN-JONQDZQNSA-N	1	0	356.474	1.647	20	30		FDEDRO
Cc1c([C@H]2OCC[C@@H]2[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cnn1C	ZINC000548008524	542519371	/nfs/dbraw/zinc/51/93/71/542519371.db2.gz	QNHZCYGYMYBQCS-ZWKOTPCHSA-N	1	0	374.466	1.494	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1	ZINC000173146079	258291915	/nfs/dbraw/zinc/29/19/15/258291915.db2.gz	NFKBZCRXXGQKQV-QGZVFWFLSA-N	1	0	372.469	1.737	20	30		FDEDRO
N#CCC[C@H](C#N)CNCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000548786922	542778624	/nfs/dbraw/zinc/77/86/24/542778624.db2.gz	GMCYIDCUORPLDL-MOPGFXCFSA-N	1	0	353.470	1.917	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2ccc(OC)c(F)c2)CC1	ZINC000550130267	543015719	/nfs/dbraw/zinc/01/57/19/543015719.db2.gz	UAAOHEWUSBAGEF-ZDUSSCGKSA-N	1	0	363.433	1.778	20	30		FDEDRO
C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)C1	ZINC000550519243	543119800	/nfs/dbraw/zinc/11/98/00/543119800.db2.gz	WEGGMZMRQDOQMN-QGZVFWFLSA-N	1	0	366.465	1.638	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(OCCC)cc2)CC1	ZINC000550565984	543127659	/nfs/dbraw/zinc/12/76/59/543127659.db2.gz	YHYZQJXGMVCZJF-UHFFFAOYSA-N	1	0	359.470	1.858	20	30		FDEDRO
CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCC(C#N)CC1)Cc1ccccc1	ZINC000550622536	543136495	/nfs/dbraw/zinc/13/64/95/543136495.db2.gz	NAJGAASHMUWWKH-LJQANCHMSA-N	1	0	370.497	1.818	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)C[NH+](C)C	ZINC000551040899	543222069	/nfs/dbraw/zinc/22/20/69/543222069.db2.gz	FNYUYOHCNFYYGP-JTQLQIEISA-N	1	0	367.247	1.573	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@@H](C)O[C@@H](C)C1)C(C)C	ZINC000551213265	543253149	/nfs/dbraw/zinc/25/31/49/543253149.db2.gz	MEBUOCBTMVEZEW-IXDOHACOSA-N	1	0	351.491	1.437	20	30		FDEDRO
N#Cc1cccc(C2([NH2+]CC(=O)N3CCN(c4cnccn4)CC3)CC2)c1	ZINC000551410904	543282507	/nfs/dbraw/zinc/28/25/07/543282507.db2.gz	ITARHFDXUZDKBQ-UHFFFAOYSA-N	1	0	362.437	1.276	20	30		FDEDRO
C[NH+](C)CCOCCNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1	ZINC000552426665	543465200	/nfs/dbraw/zinc/46/52/00/543465200.db2.gz	UQRKUVYYTMKTJV-UHFFFAOYSA-N	1	0	362.449	1.608	20	30		FDEDRO
CCN(CCC[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1)CC(F)(F)F	ZINC000472165208	782019437	/nfs/dbraw/zinc/01/94/37/782019437.db2.gz	ZYBAEBCSQCZGQG-UHFFFAOYSA-N	1	0	372.439	1.997	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1	ZINC000073350661	172060976	/nfs/dbraw/zinc/06/09/76/172060976.db2.gz	UZDSLNSQTCDCLH-RDJZCZTQSA-N	1	0	370.453	1.456	20	30		FDEDRO
C[NH+](C)C1(CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)CCOCC1	ZINC000074357588	172079238	/nfs/dbraw/zinc/07/92/38/172079238.db2.gz	XWBXFEHBZBQQTF-UHFFFAOYSA-N	1	0	357.863	1.601	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1	ZINC000127446511	173077094	/nfs/dbraw/zinc/07/70/94/173077094.db2.gz	YGLPWYBJSBGNGG-MSOLQXFVSA-N	1	0	370.453	1.381	20	30		FDEDRO
COc1cc(C#N)ccc1OCCN1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000131169239	173192370	/nfs/dbraw/zinc/19/23/70/173192370.db2.gz	CXFLEBWTENCCNJ-KRWDZBQOSA-N	1	0	372.469	1.360	20	30		FDEDRO
N#Cc1cccc(OCCC[NH+]2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1	ZINC000131398686	173200574	/nfs/dbraw/zinc/20/05/74/173200574.db2.gz	RTKDECPRRXZNEI-LJQANCHMSA-N	1	0	356.470	1.741	20	30		FDEDRO
C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C#N)cc1F	ZINC000136016183	173355442	/nfs/dbraw/zinc/35/54/42/173355442.db2.gz	YCDRXEHJXXNDSE-INIZCTEOSA-N	1	0	368.412	1.925	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CCCC(=O)NCCCC[NH+]1CCOCC1	ZINC000151044566	173388711	/nfs/dbraw/zinc/38/87/11/173388711.db2.gz	GBPDOTBXYKONHU-UHFFFAOYSA-N	1	0	372.469	1.896	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H](N2CC[NH+](C3CCOCC3)CC2)C1=O	ZINC000177180005	174111433	/nfs/dbraw/zinc/11/14/33/174111433.db2.gz	DBPOIOXCBQPEHS-INIZCTEOSA-N	1	0	360.483	1.522	20	30		FDEDRO
Cc1nc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)ccc1C#N	ZINC000179433348	258350493	/nfs/dbraw/zinc/35/04/93/258350493.db2.gz	VRQPFRNYNMHIMO-UYAOXDASSA-N	1	0	364.449	1.875	20	30		FDEDRO
Cn1cc(C[NH2+]CC2(CS(C)(=O)=O)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000180279186	258365952	/nfs/dbraw/zinc/36/59/52/258365952.db2.gz	FMPBZXLXDVLFGC-UHFFFAOYSA-N	1	0	358.467	1.873	20	30		FDEDRO
N#Cc1ncn(CC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1	ZINC000178724876	258333237	/nfs/dbraw/zinc/33/32/37/258333237.db2.gz	RXLMPIIHQQDGNE-ROUUACIJSA-N	1	0	364.453	1.663	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](N3CC[NH+](C[C@H]4CCOC4)CC3)C2=O)cc1	ZINC000178821318	258336279	/nfs/dbraw/zinc/33/62/79/258336279.db2.gz	VDEORBRSXXYSEX-MJGOQNOKSA-N	1	0	354.454	1.318	20	30		FDEDRO
N#Cc1cccnc1-n1cc(NC(=O)NC2CC[NH+](C3CC3)CC2)cn1	ZINC000184629991	258382917	/nfs/dbraw/zinc/38/29/17/258382917.db2.gz	UXKSRJUPAYDVFW-UHFFFAOYSA-N	1	0	351.414	1.887	20	30		FDEDRO
C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@H](CC(N)=O)c1ccccc1	ZINC000280548650	258608029	/nfs/dbraw/zinc/60/80/29/258608029.db2.gz	QFYVBTIKZYZMJG-IEBWSBKVSA-N	1	0	353.422	1.846	20	30		FDEDRO
N#Cc1ccncc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000553223081	543590299	/nfs/dbraw/zinc/59/02/99/543590299.db2.gz	SXDSNEGEBPSDAL-SFHVURJKSA-N	1	0	350.422	1.974	20	30		FDEDRO
COc1cc(C[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)ccc1C#N	ZINC000281574131	258667505	/nfs/dbraw/zinc/66/75/05/258667505.db2.gz	CURDHJMJQLKDCH-CQSZACIVSA-N	1	0	366.464	1.553	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC(OCC(C)C)CC2)CC1	ZINC000553330284	543610682	/nfs/dbraw/zinc/61/06/82/543610682.db2.gz	CUVWROPEBXGADG-UHFFFAOYSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)CC1	ZINC000553397851	543626810	/nfs/dbraw/zinc/62/68/10/543626810.db2.gz	ZYCBJMBGFOGANU-INIZCTEOSA-N	1	0	373.497	1.938	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@@H](OCC)C23CCC3)CC1	ZINC000553372311	543621246	/nfs/dbraw/zinc/62/12/46/543621246.db2.gz	NRJUSIYIYJPFOX-DLBZAZTESA-N	1	0	363.502	1.607	20	30		FDEDRO
N#Cc1cc(N[C@@H](CO)C[NH+]2CCCCC2)nc2ccc([N+](=O)[O-])cc12	ZINC000554800969	543873475	/nfs/dbraw/zinc/87/34/75/543873475.db2.gz	LFMQZJPBYZCLLP-CQSZACIVSA-N	1	0	355.398	2.273	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C	ZINC000556071113	544087311	/nfs/dbraw/zinc/08/73/11/544087311.db2.gz	OIXFYXUIQCKXBW-INIZCTEOSA-N	1	0	351.422	1.206	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1	ZINC000556075868	544088604	/nfs/dbraw/zinc/08/86/04/544088604.db2.gz	LGHVAUMBNOVMNZ-UHFFFAOYSA-N	1	0	373.501	1.264	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@H](C)OC[C@@H]1CC)C(C)C	ZINC000556209897	544118456	/nfs/dbraw/zinc/11/84/56/544118456.db2.gz	ZOFJVFPPCMYNTQ-OKZBNKHCSA-N	1	0	365.518	1.827	20	30		FDEDRO
COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C1CC1	ZINC000556514339	544151657	/nfs/dbraw/zinc/15/16/57/544151657.db2.gz	CDJIQRAQMGTRFW-JNAXZKDPSA-N	1	0	357.454	1.805	20	30		FDEDRO
COc1ccc(CC[NH2+]Cc2ccc(C#N)s2)cc1S(N)(=O)=O	ZINC000556973472	544227010	/nfs/dbraw/zinc/22/70/10/544227010.db2.gz	SYKUNUDGZWVJHJ-UHFFFAOYSA-N	1	0	351.453	1.608	20	30		FDEDRO
CN1CC[NH+](CCC(C)(C)NC(=O)NCC#Cc2cccc(F)c2)CC1	ZINC000556981531	544228282	/nfs/dbraw/zinc/22/82/82/544228282.db2.gz	FXYBRHSEQXKCLX-UHFFFAOYSA-N	1	0	360.477	1.893	20	30		FDEDRO
C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC1CCC(Oc2ncccc2C#N)CC1	ZINC000557205509	544262807	/nfs/dbraw/zinc/26/28/07/544262807.db2.gz	YMASVFKCOZPFDK-LHUBUQBQSA-N	1	0	357.458	1.940	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC(OC(C)(C)C)CC2)CC1	ZINC000557756560	544342770	/nfs/dbraw/zinc/34/27/70/544342770.db2.gz	SXCVQJFZHNDZIW-UHFFFAOYSA-N	1	0	365.518	1.949	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C[NH+](C)C	ZINC000293293829	258866792	/nfs/dbraw/zinc/86/67/92/258866792.db2.gz	WARJSFZWOABXQA-JTQLQIEISA-N	1	0	356.348	1.829	20	30		FDEDRO
C[NH+](C)[C@@H](CNc1ccc(S(N)(=O)=O)cc1C#N)c1cccs1	ZINC000301200728	259023330	/nfs/dbraw/zinc/02/33/30/259023330.db2.gz	MQNKNCSEUQINMA-AWEZNQCLSA-N	1	0	350.469	1.982	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCCCNc2ccc(S(N)(=O)=O)cc2C#N)C[C@H](C)O1	ZINC000301742780	259032639	/nfs/dbraw/zinc/03/26/39/259032639.db2.gz	YTGREGAJGPAMRM-OKILXGFUSA-N	1	0	366.487	1.507	20	30		FDEDRO
C[C@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)CN1CC[NH+](C)CC1	ZINC000330494813	259147509	/nfs/dbraw/zinc/14/75/09/259147509.db2.gz	VQGSGHSUAGIJJY-CYBMUJFWSA-N	1	0	370.906	1.373	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@@H]1[NH+](C)C	ZINC000330755076	259161176	/nfs/dbraw/zinc/16/11/76/259161176.db2.gz	FWWSGJLOQKXGGT-QWHCGFSZSA-N	1	0	359.904	1.878	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2CCO[C@H](c3cccc(C#N)c3)C2)CC1	ZINC000331651760	259210125	/nfs/dbraw/zinc/21/01/25/259210125.db2.gz	WDICDRBVPFOAQR-IBGZPJMESA-N	1	0	356.470	1.532	20	30		FDEDRO
C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H](C)[N@H+]1C	ZINC000331840659	259223642	/nfs/dbraw/zinc/22/36/42/259223642.db2.gz	PLIPVOIULLJUPQ-DAYGRLMNSA-N	1	0	369.469	1.788	20	30		FDEDRO
C[C@@H]1[NH2+]CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H]1C	ZINC000331914680	259228697	/nfs/dbraw/zinc/22/86/97/259228697.db2.gz	UPBBZLDUVYSQLT-GRDNDAEWSA-N	1	0	355.442	1.445	20	30		FDEDRO
CN(C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCC[NH2+]CC1	ZINC000333479004	259352124	/nfs/dbraw/zinc/35/21/24/259352124.db2.gz	BFHXZBSQVPMUDZ-AEFFLSMTSA-N	1	0	369.469	1.837	20	30		FDEDRO
N#Cc1ccc(OC2CCC(NC(=O)N3C[C@@H]4CC[NH2+]C[C@H]4C3)CC2)nc1	ZINC000333779910	259381056	/nfs/dbraw/zinc/38/10/56/259381056.db2.gz	KSRFHYKFDAWIQW-VYMRPNJYSA-N	1	0	369.469	1.894	20	30		FDEDRO
N#Cc1ccc(C2(C(=O)N3CCC([N@H+]4CCC[C@@H]4C(N)=O)CC3)CC2)cc1	ZINC000369025307	260279108	/nfs/dbraw/zinc/27/91/08/260279108.db2.gz	CRYZTQVJDLXYME-GOSISDBHSA-N	1	0	366.465	1.531	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2CCC([C@@H](O)c3ncc[nH]3)CC2)ccc1F	ZINC000369176013	260307387	/nfs/dbraw/zinc/30/73/87/260307387.db2.gz	YIRBIVIKPVDDHH-OAHLLOKOSA-N	1	0	364.402	1.555	20	30		FDEDRO
Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(C#N)cc2)cn1	ZINC000369230849	260317325	/nfs/dbraw/zinc/31/73/25/260317325.db2.gz	VZEXJJCXFPLRKJ-WSTZPKSXSA-N	1	0	370.453	1.620	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000369276073	260330886	/nfs/dbraw/zinc/33/08/86/260330886.db2.gz	FGELPOLXTNKONJ-NVXWUHKLSA-N	1	0	356.470	1.610	20	30		FDEDRO
N#Cc1ncn(C2CCN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)CC2)n1	ZINC000369306208	260336898	/nfs/dbraw/zinc/33/68/98/260336898.db2.gz	OJSREJBMAYOTIY-SFHVURJKSA-N	1	0	364.453	1.978	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)N2[C@@H]3CC[C@H]2C[C@H]([NH3+])C3)c1	ZINC000369321402	260339972	/nfs/dbraw/zinc/33/99/72/260339972.db2.gz	IQAKKGNRZVZKOG-XYYAHUGASA-N	1	0	370.272	1.964	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCC[N@@H+](C2CCOCC2)CC1	ZINC000369543609	260387530	/nfs/dbraw/zinc/38/75/30/260387530.db2.gz	JJLCIQVICLPRSU-UHFFFAOYSA-N	1	0	373.453	1.659	20	30		FDEDRO
N#Cc1ncn(C2CC[NH+](C[C@@H](O)COc3cccc4[nH]ccc43)CC2)n1	ZINC000369608403	260399994	/nfs/dbraw/zinc/39/99/94/260399994.db2.gz	FQQRSDMPJFAJDP-OAHLLOKOSA-N	1	0	366.425	1.708	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1	ZINC000371844059	260776819	/nfs/dbraw/zinc/77/68/19/260776819.db2.gz	IANIQRDTQQJVFZ-GOSISDBHSA-N	1	0	373.501	1.563	20	30		FDEDRO
COc1ccc(CN(C)C(=O)C[NH+]2CCC(n3cnc(C#N)n3)CC2)cc1	ZINC000373413183	261008647	/nfs/dbraw/zinc/00/86/47/261008647.db2.gz	QAAWYOXNSDDTDG-UHFFFAOYSA-N	1	0	368.441	1.454	20	30		FDEDRO
N#Cc1ncccc1S(=O)(=O)N1CCC(CC[NH+]2CCOCC2)CC1	ZINC000373772429	261039052	/nfs/dbraw/zinc/03/90/52/261039052.db2.gz	ULJZQCKOCHUWFD-UHFFFAOYSA-N	1	0	364.471	1.076	20	30		FDEDRO
CCC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@H]1CC(=O)N(C)C1=O	ZINC000374684822	261174369	/nfs/dbraw/zinc/17/43/69/261174369.db2.gz	GWAFXOXJWYMRSP-KRWDZBQOSA-N	1	0	365.437	1.928	20	30		FDEDRO
CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1	ZINC000375483452	261349890	/nfs/dbraw/zinc/34/98/90/261349890.db2.gz	VZPULRZOUOPHBI-ATZDWAIDSA-N	1	0	368.481	1.894	20	30		FDEDRO
C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1(S(C)(=O)=O)CC1	ZINC000375602318	261380448	/nfs/dbraw/zinc/38/04/48/261380448.db2.gz	GOERXMBDCIWOBD-CJNGLKHVSA-N	1	0	361.467	1.609	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCC(n2cnc(C#N)n2)CC1)[N@@H+]1CCC[C@@H](C)C1	ZINC000375678254	261397362	/nfs/dbraw/zinc/39/73/62/261397362.db2.gz	ZVMBROXKXCWXSK-CABCVRRESA-N	1	0	359.478	1.617	20	30		FDEDRO
CCN(C(=O)NCCn1cnc(C#N)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000377218027	261745401	/nfs/dbraw/zinc/74/54/01/261745401.db2.gz	QPNHKUINXUZNJN-KRWDZBQOSA-N	1	0	367.457	1.456	20	30		FDEDRO
CN1CCO[C@@H]2CCN(C(=O)c3cccc(C#N)c3Br)C[C@H]21	ZINC000408457598	262110461	/nfs/dbraw/zinc/11/04/61/262110461.db2.gz	BQHWMQPVCYMSKF-ZIAGYGMSSA-N	1	0	364.243	1.866	20	30		FDEDRO
Cc1cc(NC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)c(C#N)cc1N(C)C	ZINC000408472542	262113212	/nfs/dbraw/zinc/11/32/12/262113212.db2.gz	VSURIGIHJMTKOA-ROUUACIJSA-N	1	0	357.458	1.870	20	30		FDEDRO
CC[C@@H]1CN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC[N@@H+]1Cc1ccccc1	ZINC000409927869	262146060	/nfs/dbraw/zinc/14/60/60/262146060.db2.gz	VGPPDVQPNRRXHQ-NVXWUHKLSA-N	1	0	352.442	1.834	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)CC[N@@H+]1C	ZINC000329039930	782075045	/nfs/dbraw/zinc/07/50/45/782075045.db2.gz	HWVUEUCYFOYNQP-BPLDGKMQSA-N	1	0	362.478	1.632	20	30		FDEDRO
C[N@@H+]1CC[C@](O)(CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1	ZINC000545168246	490090413	/nfs/dbraw/zinc/09/04/13/490090413.db2.gz	BACMUHLDBUUNGY-KRWDZBQOSA-N	1	0	358.377	1.071	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)nn1CCC#N	ZINC000505068281	490818788	/nfs/dbraw/zinc/81/87/88/490818788.db2.gz	KQTUTVKRAJEXFP-UHFFFAOYSA-N	1	0	372.473	1.567	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)NC2(C[NH3+])CCOCC2)n1	ZINC000528690353	490820093	/nfs/dbraw/zinc/82/00/93/490820093.db2.gz	WPIRFVASRHSZIW-UHFFFAOYSA-N	1	0	358.377	1.512	20	30		FDEDRO
Cc1cc(NC(=O)[C@H](C)SCC(=O)NC2(C#N)CC[NH+](C)CC2)no1	ZINC000518024958	490928420	/nfs/dbraw/zinc/92/84/20/490928420.db2.gz	CQMZXAUCLSFWRE-LBPRGKRZSA-N	1	0	365.459	1.147	20	30		FDEDRO
COCC[N@H+](C)CCN1C[C@@H](Nc2nc(C#N)c(Cl)s2)CC1=O	ZINC000601177943	491898821	/nfs/dbraw/zinc/89/88/21/491898821.db2.gz	FVURDQBWNCNLRB-JTQLQIEISA-N	1	0	357.867	1.259	20	30		FDEDRO
CCNC(=O)NC(=O)[C@H](C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000021404919	518872359	/nfs/dbraw/zinc/87/23/59/518872359.db2.gz	CMJYYGLDWDBESE-HNNXBMFYSA-N	1	0	357.458	1.300	20	30		FDEDRO
CC(C)N(C)C(=O)C1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000030273107	519353641	/nfs/dbraw/zinc/35/36/41/519353641.db2.gz	AURUELQBRWKCNF-SFHVURJKSA-N	1	0	359.470	1.877	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCCS(=O)(=O)NCC2CCC2)CC1	ZINC000069111940	521806128	/nfs/dbraw/zinc/80/61/28/521806128.db2.gz	STDVOTWJNVVQRI-UHFFFAOYSA-N	1	0	372.535	1.046	20	30		FDEDRO
CC[C@@H](C)NC(=O)CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000056916467	521942236	/nfs/dbraw/zinc/94/22/36/521942236.db2.gz	ABCRONPLAQXCPC-MRXNPFEDSA-N	1	0	373.501	1.936	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NCC[N@H+]3CCC[C@@H](C)C3)cc2C1=O	ZINC000044533299	521965925	/nfs/dbraw/zinc/96/59/25/521965925.db2.gz	FYVDIQBPBIBUOS-CQSZACIVSA-N	1	0	355.438	1.930	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCC(=O)N3CCCC3)CC2)cc1	ZINC000045429711	522090772	/nfs/dbraw/zinc/09/07/72/522090772.db2.gz	ROLPGJDNCUERJJ-UHFFFAOYSA-N	1	0	369.469	1.398	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)NCCCC[NH+]1CCOCC1	ZINC000057613112	522114288	/nfs/dbraw/zinc/11/42/88/522114288.db2.gz	TXCHXXOBSXFFCF-UHFFFAOYSA-N	1	0	374.485	1.829	20	30		FDEDRO
C[C@@H](CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[N@H+](C)C1CC1	ZINC000057720288	522145516	/nfs/dbraw/zinc/14/55/16/522145516.db2.gz	IUCLTXIOASJSQW-ZDUSSCGKSA-N	1	0	364.471	1.091	20	30		FDEDRO
C[C@H](Sc1nncn1C)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000045785588	522156946	/nfs/dbraw/zinc/15/69/46/522156946.db2.gz	NEXQAMBGNPOXRT-AWEZNQCLSA-N	1	0	372.498	1.758	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+](CC(N)=O)CC(C)C)c(OC)c1	ZINC000046061494	522219124	/nfs/dbraw/zinc/21/91/24/522219124.db2.gz	AJDJYWHKWLTKER-MRXNPFEDSA-N	1	0	350.459	1.607	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[NH+](CC(C)C)CC1	ZINC000046431731	522296223	/nfs/dbraw/zinc/29/62/23/522296223.db2.gz	MLFGLIDPSDEADG-UHFFFAOYSA-N	1	0	368.485	1.951	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)CSCC#N)CC1	ZINC000058882293	522310657	/nfs/dbraw/zinc/31/06/57/522310657.db2.gz	IOXLYYNNNRRJIJ-UHFFFAOYSA-N	1	0	354.520	1.330	20	30		FDEDRO
C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1nncn1C	ZINC000046963871	522404546	/nfs/dbraw/zinc/40/45/46/522404546.db2.gz	ZRWKRBNWIKSJDS-HNNXBMFYSA-N	1	0	367.457	1.665	20	30		FDEDRO
CC(C)CN1C[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1=O	ZINC000047011505	522422530	/nfs/dbraw/zinc/42/25/30/522422530.db2.gz	DRHIUGNQHKRZOH-LJQANCHMSA-N	1	0	370.497	1.953	20	30		FDEDRO
N#Cc1ccc(CN2CCC[N@@H+](CCC(=O)N3CCOCC3)CC2)cc1	ZINC000047279995	522488746	/nfs/dbraw/zinc/48/87/46/522488746.db2.gz	XPRMAVDRHCTHEZ-UHFFFAOYSA-N	1	0	356.470	1.315	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CN1c2ccccc2SCC1=O	ZINC000064361656	522708477	/nfs/dbraw/zinc/70/84/77/522708477.db2.gz	GVJZIDPSYWAAEK-UHFFFAOYSA-N	1	0	360.483	1.819	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N2CCC[N@@H+](CCOC)CC2)c(OC)c1	ZINC000048427658	522733246	/nfs/dbraw/zinc/73/32/46/522733246.db2.gz	PMRLUJZSVLWAAO-UHFFFAOYSA-N	1	0	362.470	1.983	20	30		FDEDRO
CCS(=O)(=O)NCC[NH2+]Cc1ccc(OC)c(OCCCC#N)c1	ZINC000064614412	522739295	/nfs/dbraw/zinc/73/92/95/522739295.db2.gz	QXZHEOXVHMYNQJ-UHFFFAOYSA-N	1	0	355.460	1.407	20	30		FDEDRO
C=CCNC(=O)C(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1	ZINC000048619430	522757754	/nfs/dbraw/zinc/75/77/54/522757754.db2.gz	OPMAYWSLWFOZFR-UHFFFAOYSA-N	1	0	350.850	1.723	20	30		FDEDRO
CCCNC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000065244059	522793905	/nfs/dbraw/zinc/79/39/05/522793905.db2.gz	ZJXQYYNLXKUKSE-AEFFLSMTSA-N	1	0	354.454	1.902	20	30		FDEDRO
O=[N+]([O-])c1ccc(CNC(=[NH+]C[C@@H]2CCCO2)N2CCC(O)CC2)cc1	ZINC000074698573	522823540	/nfs/dbraw/zinc/82/35/40/522823540.db2.gz	LYXGXACQQFPKBX-KRWDZBQOSA-N	1	0	362.430	1.676	20	30		FDEDRO
CCc1cnc(CNC(=[NH+]C)N2CCN(C(=O)[C@H]3CCCO3)CC2)s1	ZINC000075047652	522872460	/nfs/dbraw/zinc/87/24/60/522872460.db2.gz	HLWKFUHLGZSDMQ-CQSZACIVSA-N	1	0	365.503	1.104	20	30		FDEDRO
CC(C)C[NH+]1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1	ZINC000066239902	522996061	/nfs/dbraw/zinc/99/60/61/522996061.db2.gz	UWZRKFRXYBIFOG-UHFFFAOYSA-N	1	0	352.442	1.740	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CCC)C2)c1	ZINC000076659304	523159778	/nfs/dbraw/zinc/15/97/78/523159778.db2.gz	UVZCDXOVWKNPPT-INIZCTEOSA-N	1	0	357.454	1.827	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1	ZINC000076672018	523166589	/nfs/dbraw/zinc/16/65/89/523166589.db2.gz	LCHFHDOINVWHEF-AWEZNQCLSA-N	1	0	361.417	1.576	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1	ZINC000077038900	523241570	/nfs/dbraw/zinc/24/15/70/523241570.db2.gz	PUJDPMIRZDDRLK-UHFFFAOYSA-N	1	0	372.513	1.813	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CCC(C#N)CC2)c1	ZINC000067086631	523317563	/nfs/dbraw/zinc/31/75/63/523317563.db2.gz	CSIXKVDBCRLPNH-UHFFFAOYSA-N	1	0	357.458	1.423	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000067282478	523379275	/nfs/dbraw/zinc/37/92/75/523379275.db2.gz	IELIYADNKYJAIS-QGZVFWFLSA-N	1	0	370.501	1.952	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1	ZINC000077607002	523394272	/nfs/dbraw/zinc/39/42/72/523394272.db2.gz	BYZGWRALGAIKDF-CQSZACIVSA-N	1	0	363.483	1.365	20	30		FDEDRO
C[C@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)C1	ZINC000077698300	523419761	/nfs/dbraw/zinc/41/97/61/523419761.db2.gz	PZIPSLJWFRHOIW-HNNXBMFYSA-N	1	0	370.457	1.763	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)cc1	ZINC000067503659	523474391	/nfs/dbraw/zinc/47/43/91/523474391.db2.gz	FZZRZEWKINVEJM-MRXNPFEDSA-N	1	0	350.488	1.550	20	30		FDEDRO
CC[C@@H](CO)[NH+]1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1	ZINC000078523356	523598698	/nfs/dbraw/zinc/59/86/98/523598698.db2.gz	ZETHDGMYWKCJOW-AWEZNQCLSA-N	1	0	355.398	1.908	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCN1CCOCC1	ZINC000079067132	523698128	/nfs/dbraw/zinc/69/81/28/523698128.db2.gz	QUYCVSNAFQAJKL-UHFFFAOYSA-N	1	0	373.501	1.354	20	30		FDEDRO
C=CCNC(=O)CN1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1	ZINC000068388074	523774201	/nfs/dbraw/zinc/77/42/01/523774201.db2.gz	QASKRONJZDULMP-IBGZPJMESA-N	1	0	358.486	1.126	20	30		FDEDRO
O=S1(=O)CC[C@@H](CNC(NCc2cc(F)ccc2F)=[NH+]C2CC2)C1	ZINC000080750623	523901779	/nfs/dbraw/zinc/90/17/79/523901779.db2.gz	CYYVKDNMZYSLRH-NSHDSACASA-N	1	0	357.426	1.597	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)N1CC[NH+](CC2CCOCC2)CC1	ZINC000172458802	524225450	/nfs/dbraw/zinc/22/54/50/524225450.db2.gz	JCJJKYYZQNBVDH-INIZCTEOSA-N	1	0	357.454	1.896	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1	ZINC000111230848	524226787	/nfs/dbraw/zinc/22/67/87/524226787.db2.gz	PENLDPLKONAPIL-RTBURBONSA-N	1	0	350.551	1.901	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](N3CCCN(C(=O)C4CC4)CC3)C2=O)cc1	ZINC000121370499	524235989	/nfs/dbraw/zinc/23/59/89/524235989.db2.gz	UUPKIEDJKLNJSY-GOSISDBHSA-N	1	0	352.438	1.608	20	30		FDEDRO
CN(C)CC[NH+]1CCC(CNC(=O)C#Cc2ccc3c(c2)OCO3)CC1	ZINC000137315413	524237334	/nfs/dbraw/zinc/23/73/34/524237334.db2.gz	WLVWTAWFDYWEMH-UHFFFAOYSA-N	1	0	357.454	1.157	20	30		FDEDRO
CC[NH+](CC)CCSCC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000083093053	524238229	/nfs/dbraw/zinc/23/82/29/524238229.db2.gz	FPFKHQHGGIQHBR-UHFFFAOYSA-N	1	0	365.503	1.578	20	30		FDEDRO
C[N@H+](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C1CCCC1	ZINC000157274678	524244664	/nfs/dbraw/zinc/24/46/64/524244664.db2.gz	ROGZDZQFHZOYIO-UHFFFAOYSA-N	1	0	352.416	1.619	20	30		FDEDRO
C=CCCOCC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	ZINC000138496859	524258330	/nfs/dbraw/zinc/25/83/30/524258330.db2.gz	QEVIOETZLNWDJI-UHFFFAOYSA-N	1	0	351.491	1.420	20	30		FDEDRO
CC(C)[C@H](CNC(=O)Cc1ccc(OCC#N)cc1)[NH+]1CCN(C)CC1	ZINC000111660731	524321295	/nfs/dbraw/zinc/32/12/95/524321295.db2.gz	NBMNZPZFNQWTPD-IBGZPJMESA-N	1	0	358.486	1.520	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)CC1	ZINC000173155180	524335920	/nfs/dbraw/zinc/33/59/20/524335920.db2.gz	BKHBAFOHOYCIDI-UHFFFAOYSA-N	1	0	368.416	1.963	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)CC1	ZINC000173197416	524343243	/nfs/dbraw/zinc/34/32/43/524343243.db2.gz	HHFDJQMEXRXFEV-UHFFFAOYSA-N	1	0	374.460	1.830	20	30		FDEDRO
CN1CC[NH+]([C@H]2CCCCN(C(=O)COc3ccccc3C#N)C2)CC1	ZINC000173279765	524362454	/nfs/dbraw/zinc/36/24/54/524362454.db2.gz	MWIUYPTUQLJVQV-SFHVURJKSA-N	1	0	356.470	1.566	20	30		FDEDRO
C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccn(CCC#N)n2)C1	ZINC000086449875	524393001	/nfs/dbraw/zinc/39/30/01/524393001.db2.gz	TXMMHIDFCPXJBZ-AWEZNQCLSA-N	1	0	360.462	1.362	20	30		FDEDRO
N#CCCn1ccc(NC(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)n1	ZINC000086450589	524393168	/nfs/dbraw/zinc/39/31/68/524393168.db2.gz	KICJNIYVIJLBQV-UHFFFAOYSA-N	1	0	372.473	1.460	20	30		FDEDRO
CC(C)[C@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)N1CC[NH+](C)CC1	ZINC000158058852	524394312	/nfs/dbraw/zinc/39/43/12/524394312.db2.gz	ZERWHCHXRJLWAN-KRWDZBQOSA-N	1	0	368.478	1.248	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)[N@H+](C)Cc1ccccc1	ZINC000086460083	524394744	/nfs/dbraw/zinc/39/47/44/524394744.db2.gz	LQLKFOOKQHYOBL-HNNXBMFYSA-N	1	0	368.441	1.372	20	30		FDEDRO
CCC[NH+]1CCC(N2CCN(CC(=O)N[C@@](C)(C#N)C3CC3)CC2)CC1	ZINC000112358078	524469570	/nfs/dbraw/zinc/46/95/70/524469570.db2.gz	CSRXFUVJGFYRHQ-FQEVSTJZSA-N	1	0	361.534	1.287	20	30		FDEDRO
N#Cc1ccnc(NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1[N+](=O)[O-]	ZINC000089645025	524516209	/nfs/dbraw/zinc/51/62/09/524516209.db2.gz	AJRJRZFDIBIRCA-CVEARBPZSA-N	1	0	353.382	1.909	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)NC(=O)c2ccccc2)c1C#N	ZINC000089661555	524518723	/nfs/dbraw/zinc/51/87/23/524518723.db2.gz	FQYIPOCOAAQKMJ-GFCCVEGCSA-N	1	0	354.414	1.190	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)c1C#N	ZINC000089675359	524520359	/nfs/dbraw/zinc/52/03/59/524520359.db2.gz	KSRMVXKGRQNKIN-GFCCVEGCSA-N	1	0	357.414	1.848	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3cccc(OCC#N)c3)C2)CC1	ZINC000089769360	524525368	/nfs/dbraw/zinc/52/53/68/524525368.db2.gz	URCCMKRMPRIXCT-GOSISDBHSA-N	1	0	356.470	1.370	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)[C@H](C)C1	ZINC000122410996	524529553	/nfs/dbraw/zinc/52/95/53/524529553.db2.gz	NHHWBZREDYLGBA-FZKQIMNGSA-N	1	0	358.486	1.985	20	30		FDEDRO
C=CCCOCCNC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1	ZINC000122417402	524532047	/nfs/dbraw/zinc/53/20/47/524532047.db2.gz	BYBQEZBOKPPYRT-QZTJIDSGSA-N	1	0	352.523	1.779	20	30		FDEDRO
CN(CC[NH+]1CCCC1)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000112748365	524565058	/nfs/dbraw/zinc/56/50/58/524565058.db2.gz	IIEQKJRTQDPNFN-UHFFFAOYSA-N	1	0	356.474	1.659	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1	ZINC000159100589	524593256	/nfs/dbraw/zinc/59/32/56/524593256.db2.gz	KQNIOSPFQIYYCP-MOPGFXCFSA-N	1	0	370.497	1.985	20	30		FDEDRO
CC[N@H+](C)C[C@H]1CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C1	ZINC000174520004	524613778	/nfs/dbraw/zinc/61/37/78/524613778.db2.gz	GMXIANNMJAXMTP-MRXNPFEDSA-N	1	0	368.485	1.951	20	30		FDEDRO
C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)N1CCSCC1	ZINC000151804008	524690032	/nfs/dbraw/zinc/69/00/32/524690032.db2.gz	SKQGXQLTTKMWIN-INIZCTEOSA-N	1	0	360.527	1.886	20	30		FDEDRO
C[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1	ZINC000123253183	524713120	/nfs/dbraw/zinc/71/31/20/524713120.db2.gz	SFPICBXLYJMFNH-HNNXBMFYSA-N	1	0	371.485	1.821	20	30		FDEDRO
C#CCC[NH+]1CCN(c2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)CC1	ZINC000091480632	524714122	/nfs/dbraw/zinc/71/41/22/524714122.db2.gz	YVEJWOREBJEEQO-UHFFFAOYSA-N	1	0	361.389	1.498	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCCCC2)N1CC[C@H](C)[C@H](n2ccnc2)C1	ZINC000159956475	524775919	/nfs/dbraw/zinc/77/59/19/524775919.db2.gz	VAGGIGQYBBFACA-JKSUJKDBSA-N	1	0	370.505	1.860	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]Cc1cnc2ccc(C#N)cn12	ZINC000123554981	524776756	/nfs/dbraw/zinc/77/67/56/524776756.db2.gz	UXPDJSVWUKNCQK-KRWDZBQOSA-N	1	0	354.458	1.238	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C[N@@H+]1C1CC1	ZINC000123737124	524818895	/nfs/dbraw/zinc/81/88/95/524818895.db2.gz	YGMOHYHMXCNAHG-QLFBSQMISA-N	1	0	369.473	1.194	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)C(C)(C)C[NH+](C)C	ZINC000123777074	524828042	/nfs/dbraw/zinc/82/80/42/524828042.db2.gz	ZMNMSTANZKMGIN-CABCVRRESA-N	1	0	373.505	1.545	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1	ZINC000114742330	524870604	/nfs/dbraw/zinc/87/06/04/524870604.db2.gz	DUEUBBALFXNMLL-KRWDZBQOSA-N	1	0	356.451	1.896	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](CCCO)CC(C)(C)C)CC1	ZINC000092618577	524900804	/nfs/dbraw/zinc/90/08/04/524900804.db2.gz	PJXRTWQSYKSVNX-QGZVFWFLSA-N	1	0	352.523	1.409	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](Nc3ccccc3)C2)CC1	ZINC000092642998	524903741	/nfs/dbraw/zinc/90/37/41/524903741.db2.gz	KFDNXKBIOICHLI-PMACEKPBSA-N	1	0	369.513	1.865	20	30		FDEDRO
N#Cc1cccc(NC(=O)CC[NH+]2CCC(c3ccnn3CCO)CC2)c1	ZINC000160553485	524915138	/nfs/dbraw/zinc/91/51/38/524915138.db2.gz	FTGFCDLNZFJMPS-UHFFFAOYSA-N	1	0	367.453	1.955	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[NH+]2CCC(c3ccnn3CCO)CC2)cc1	ZINC000160553344	524915270	/nfs/dbraw/zinc/91/52/70/524915270.db2.gz	LSFHUHIAQDAWAO-UHFFFAOYSA-N	1	0	367.453	1.955	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000152569039	524929555	/nfs/dbraw/zinc/92/95/55/524929555.db2.gz	RQISUVHIFUQYFT-CRAIPNDOSA-N	1	0	370.453	1.091	20	30		FDEDRO
C[NH+](C)CCCOC1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1	ZINC000175302455	524936992	/nfs/dbraw/zinc/93/69/92/524936992.db2.gz	SUIZWFZNQAIIQN-UHFFFAOYSA-N	1	0	369.462	1.819	20	30		FDEDRO
N#Cc1ccc(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)cn1	ZINC000115331211	524968433	/nfs/dbraw/zinc/96/84/33/524968433.db2.gz	ZNUFSNPRQASOOE-UHFFFAOYSA-N	1	0	363.465	1.891	20	30		FDEDRO
N#Cc1ccc([C@@H]([NH2+]CCCNC(=O)c2ccc(F)cc2)C(N)=O)cc1	ZINC000115599949	525032265	/nfs/dbraw/zinc/03/22/65/525032265.db2.gz	HEVDKEIIOWSCEZ-QGZVFWFLSA-N	1	0	354.385	1.633	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(S(C)(=O)=O)cc1	ZINC000176325832	525083604	/nfs/dbraw/zinc/08/36/04/525083604.db2.gz	GLBOUVAFRDDOFN-UHFFFAOYSA-N	1	0	352.460	1.789	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@H]1CCOc2ccccc21)=[NH+]CC1CCOCC1	ZINC000176377087	525111724	/nfs/dbraw/zinc/11/17/24/525111724.db2.gz	COCQLVKILMCPTA-KRWDZBQOSA-N	1	0	374.485	1.560	20	30		FDEDRO
CC[N@H+](C)CCNC(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1	ZINC000153133613	525114356	/nfs/dbraw/zinc/11/43/56/525114356.db2.gz	GCJSXOWVFKWKFG-UHFFFAOYSA-N	1	0	368.441	1.367	20	30		FDEDRO
N#Cc1cc(F)ccc1S(=O)(=O)NCCCC[N@H+]1CCC[C@@H]1CO	ZINC000161720160	525158370	/nfs/dbraw/zinc/15/83/70/525158370.db2.gz	RVKQRMRJRQSFNW-OAHLLOKOSA-N	1	0	355.435	1.213	20	30		FDEDRO
C[NH+]=C(N[C@H]1[C@@H]2CCO[C@@H]2C1(C)C)N[C@@H]1CCCN(c2ncccn2)C1	ZINC000176673208	525164557	/nfs/dbraw/zinc/16/45/57/525164557.db2.gz	DGJMKNLWDJTTBO-UGUYLWEFSA-N	1	0	358.490	1.424	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)NCc1cccc(Cl)c1	ZINC000153301832	525171650	/nfs/dbraw/zinc/17/16/50/525171650.db2.gz	UMNMFNYBMRRPSC-UHFFFAOYSA-N	1	0	360.849	1.698	20	30		FDEDRO
C[C@@H](C(=O)NCc1ccc(F)cc1)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153327903	525180045	/nfs/dbraw/zinc/18/00/45/525180045.db2.gz	MPDBXCIVRGNVTF-LBPRGKRZSA-N	1	0	358.421	1.572	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C	ZINC000116622204	525185061	/nfs/dbraw/zinc/18/50/61/525185061.db2.gz	PMNMSRWBUBZVAX-MAUKXSAKSA-N	1	0	372.469	1.384	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1	ZINC000116735919	525200581	/nfs/dbraw/zinc/20/05/81/525200581.db2.gz	YKFROILRQWWYLI-UHFFFAOYSA-N	1	0	368.441	1.279	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1	ZINC000177063288	525229580	/nfs/dbraw/zinc/22/95/80/525229580.db2.gz	ZKUNWGNSSUSNNC-PMACEKPBSA-N	1	0	370.497	1.874	20	30		FDEDRO
O=C(C[N@H+]1CCC[C@@H](CO)C1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000125896378	525248801	/nfs/dbraw/zinc/24/88/01/525248801.db2.gz	OQHLEBIZEJHFFU-OAHLLOKOSA-N	1	0	354.372	1.877	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1	ZINC000177184398	525253088	/nfs/dbraw/zinc/25/30/88/525253088.db2.gz	DMBVXACXRNJDNY-UKRRQHHQSA-N	1	0	363.483	1.506	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccn(Cc3ccccc3)n2)CC1	ZINC000177326233	525275759	/nfs/dbraw/zinc/27/57/59/525275759.db2.gz	IGOQUFXADJLWNC-UHFFFAOYSA-N	1	0	367.453	1.637	20	30		FDEDRO
CCO[C@@H]1C[C@H](O)C12CC[NH+](C[C@H](O)COc1ccc(CC#N)cc1)CC2	ZINC000153655028	525278027	/nfs/dbraw/zinc/27/80/27/525278027.db2.gz	YFYRLBDMGOUNPL-YSIASYRMSA-N	1	0	374.481	1.744	20	30		FDEDRO
C=CC[C@H](C)NC(=O)C(=O)Nc1cccc(C(=O)NCC[NH+](CC)CC)c1	ZINC000117076728	525284463	/nfs/dbraw/zinc/28/44/63/525284463.db2.gz	NZVYQAATQPOXES-HNNXBMFYSA-N	1	0	374.485	1.778	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH+]2CCN(c3cccc(O)c3)CC2)cc1	ZINC000153773022	525317499	/nfs/dbraw/zinc/31/74/99/525317499.db2.gz	NYAKDTQIFGEEPL-IBGZPJMESA-N	1	0	353.422	1.826	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C)C2)cc1C#N	ZINC000153772373	525318399	/nfs/dbraw/zinc/31/83/99/525318399.db2.gz	VAFAEHWJSOXWPB-CQSZACIVSA-N	1	0	358.442	1.742	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C	ZINC000177652936	525326284	/nfs/dbraw/zinc/32/62/84/525326284.db2.gz	UKEXSMLMIBMIJN-ZDUSSCGKSA-N	1	0	360.458	1.988	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1	ZINC000153810794	525332265	/nfs/dbraw/zinc/33/22/65/525332265.db2.gz	WAPRJSGIVNCUPL-KBPBESRZSA-N	1	0	352.479	1.259	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000103151256	525333766	/nfs/dbraw/zinc/33/37/66/525333766.db2.gz	SPRJMKJUJMNDNM-INIZCTEOSA-N	1	0	369.469	1.125	20	30		FDEDRO
C=C(C)CNC(=O)C(=O)Nc1cccc(C(=O)NCC[NH+](CC)CC)c1	ZINC000126632116	525335486	/nfs/dbraw/zinc/33/54/86/525335486.db2.gz	XNSONMSOXUDAIU-UHFFFAOYSA-N	1	0	360.458	1.389	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)ccc1F	ZINC000153947605	525371355	/nfs/dbraw/zinc/37/13/55/525371355.db2.gz	VWBCAOKIQSQRJG-AWEZNQCLSA-N	1	0	369.462	1.456	20	30		FDEDRO
COCC[N@H+](C)CCCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=N	ZINC000153980408	525381361	/nfs/dbraw/zinc/38/13/61/525381361.db2.gz	BUOBLIHEISBUEE-UHFFFAOYSA-N	1	0	371.485	1.614	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NCC[C@@](O)(c2nccn2C)C(F)(F)F)cc1	ZINC000104162536	525398307	/nfs/dbraw/zinc/39/83/07/525398307.db2.gz	UVGFYZSXPLQLLH-OAHLLOKOSA-N	1	0	371.363	1.996	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](O)c2ccc(F)cc2)CC1	ZINC000104168789	525398580	/nfs/dbraw/zinc/39/85/80/525398580.db2.gz	FZZVCGZGEPLYEJ-HNNXBMFYSA-N	1	0	352.410	1.384	20	30		FDEDRO
COc1ccccc1[C@@H](CNC(=O)Cn1cnc(C#N)n1)[NH+]1CCCC1	ZINC000178336297	525413574	/nfs/dbraw/zinc/41/35/74/525413574.db2.gz	SUUKCIYOOFPKLS-OAHLLOKOSA-N	1	0	354.414	1.112	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)cn1	ZINC000154271894	525478853	/nfs/dbraw/zinc/47/88/53/525478853.db2.gz	GMYFEDRUUDSTOB-PKOBYXMFSA-N	1	0	350.422	1.566	20	30		FDEDRO
C[NH+](C)[C@H]1CCCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000105237154	525480982	/nfs/dbraw/zinc/48/09/82/525480982.db2.gz	NGKSMWHAZARVKV-KRWDZBQOSA-N	1	0	356.474	1.658	20	30		FDEDRO
CC(C)C[C@H](NC(=O)COc1ccc(C#N)cc1)C(=O)NCC[NH+](C)C	ZINC000127959527	525486401	/nfs/dbraw/zinc/48/64/01/525486401.db2.gz	OTCFYWYODGQTBO-KRWDZBQOSA-N	1	0	360.458	1.146	20	30		FDEDRO
C[NH+](C)C1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1	ZINC000127972857	525488076	/nfs/dbraw/zinc/48/80/76/525488076.db2.gz	NODAWIRUIALRTL-UHFFFAOYSA-N	1	0	352.442	1.708	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(CCC)[C@H]2CC[NH2+]C2)cc1	ZINC000178932753	525506941	/nfs/dbraw/zinc/50/69/41/525506941.db2.gz	KUNSBUQNILQRMV-HNNXBMFYSA-N	1	0	351.472	1.365	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(N3CCCC3=O)c2)c1C#N	ZINC000128204437	525516513	/nfs/dbraw/zinc/51/65/13/525516513.db2.gz	KHOQTOZGCONNTM-UHFFFAOYSA-N	1	0	366.425	1.812	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)Cc3cc(C#N)ccc3F)CC[C@@H]21	ZINC000164690304	525523832	/nfs/dbraw/zinc/52/38/32/525523832.db2.gz	LWDBTXGVPDUUQQ-PBHICJAKSA-N	1	0	351.447	1.943	20	30		FDEDRO
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCc1ccc(C#N)cc1F	ZINC000105721925	525528908	/nfs/dbraw/zinc/52/89/08/525528908.db2.gz	FXEWBYRPNRGUMZ-UHFFFAOYSA-N	1	0	361.465	1.865	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(F)cc1F)S(=O)(=O)CC1(C#N)CC1	ZINC000164856510	525533883	/nfs/dbraw/zinc/53/38/83/525533883.db2.gz	YCMGANYDNQGBGC-UHFFFAOYSA-N	1	0	357.426	1.962	20	30		FDEDRO
CC[NH+]1CCC(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1	ZINC000154441369	525535293	/nfs/dbraw/zinc/53/52/93/525535293.db2.gz	YTRFXAGRWPKFQR-UHFFFAOYSA-N	1	0	352.416	1.571	20	30		FDEDRO
C#CCN(C(=O)NCc1cccnc1N1CC[NH+](C)CC1)C1CCCC1	ZINC000165161120	525544717	/nfs/dbraw/zinc/54/47/17/525544717.db2.gz	DOUBOBGIIOPFAT-UHFFFAOYSA-N	1	0	355.486	1.921	20	30		FDEDRO
CC[NH+]=C(NCc1cccc(N2CC=CC2)c1)N[C@H]1CCc2ncnn2C1	ZINC000128525746	525552746	/nfs/dbraw/zinc/55/27/46/525552746.db2.gz	VJDLCKAJKYPLQB-KRWDZBQOSA-N	1	0	365.485	1.724	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CN2c3ccccc3O[C@@H](C)C2=O)CC1	ZINC000106037579	525553515	/nfs/dbraw/zinc/55/35/15/525553515.db2.gz	VUUGUIUNCRVZOM-HNNXBMFYSA-N	1	0	357.454	1.957	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)cc1	ZINC000154605007	525587597	/nfs/dbraw/zinc/58/75/97/525587597.db2.gz	AXDWRFIIWJRKHS-MMOSJZJFSA-N	1	0	364.471	1.438	20	30		FDEDRO
CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CC[NH3+])cc1	ZINC000154687750	525611202	/nfs/dbraw/zinc/61/12/02/525611202.db2.gz	QPIAQSHKAGCTSC-XDJHFCHBSA-N	1	0	352.460	1.567	20	30		FDEDRO
CC(C)[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)C(=O)N1CCOCC1	ZINC000180065438	525656264	/nfs/dbraw/zinc/65/62/64/525656264.db2.gz	JMLMFTKXNNWMIM-QGZVFWFLSA-N	1	0	364.490	1.144	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[N@@H+](CCC)CC2)cc1	ZINC000155051224	525725024	/nfs/dbraw/zinc/72/50/24/525725024.db2.gz	BXGBFHFFHCVKAX-UHFFFAOYSA-N	1	0	372.469	1.485	20	30		FDEDRO
COc1ccc([C@H](CNC(=[NH2+])Nc2ccccn2)N2CCOCC2)cc1	ZINC000170906143	525763039	/nfs/dbraw/zinc/76/30/39/525763039.db2.gz	XKWQPDLZCQVTAF-KRWDZBQOSA-N	1	0	355.442	1.890	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCOC[C@H]2C[C@@H](O)c2ccccc2)CC1	ZINC000155299482	525812548	/nfs/dbraw/zinc/81/25/48/525812548.db2.gz	NFYVCZYHARRDOM-WOJBJXKFSA-N	1	0	356.466	1.683	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCCC[C@@H]2C(N)=O)c(OC)c1	ZINC000131060328	525823852	/nfs/dbraw/zinc/82/38/52/525823852.db2.gz	SCIYEMWEBRBLFK-IKGGRYGDSA-N	1	0	362.470	1.797	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(F)c1)S(=O)(=O)c1ccc(C#N)nc1	ZINC000171087208	525833585	/nfs/dbraw/zinc/83/35/85/525833585.db2.gz	LTIZKCIWKQFACX-UHFFFAOYSA-N	1	0	362.430	1.845	20	30		FDEDRO
C#CCOc1ccccc1C[NH2+]CCS(=O)(=O)N1CCSCC1	ZINC000107319586	525869980	/nfs/dbraw/zinc/86/99/80/525869980.db2.gz	SRTVLZWTFVWWAM-UHFFFAOYSA-N	1	0	354.497	1.167	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@@H](C)c3cccnc3)CC2)o1	ZINC000181666297	525887062	/nfs/dbraw/zinc/88/70/62/525887062.db2.gz	NWTPAIPDSJCNOV-ZDUSSCGKSA-N	1	0	354.414	1.249	20	30		FDEDRO
CC[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1cccc(S(N)(=O)=O)c1	ZINC000181741707	525913922	/nfs/dbraw/zinc/91/39/22/525913922.db2.gz	SMVAJFYBIIUJBK-ROUUACIJSA-N	1	0	359.451	1.980	20	30		FDEDRO
Cc1cc(OCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c(C#N)c(C)n1	ZINC000119960272	525920357	/nfs/dbraw/zinc/92/03/57/525920357.db2.gz	RGNXPXOLEIGWMC-INIZCTEOSA-N	1	0	360.458	1.422	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2coc(S(=O)(=O)N(C)C)c2)CC1	ZINC000131939920	525920964	/nfs/dbraw/zinc/92/09/64/525920964.db2.gz	DWLJTBOVMNVFEY-UHFFFAOYSA-N	1	0	355.460	1.300	20	30		FDEDRO
COc1ccc(CO[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)cn1	ZINC000131957609	525923573	/nfs/dbraw/zinc/92/35/73/525923573.db2.gz	ZCYALVXHIQJMFK-UHFFFAOYSA-N	1	0	356.426	1.888	20	30		FDEDRO
Cn1cc(CCCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cn1	ZINC000171341706	525956736	/nfs/dbraw/zinc/95/67/36/525956736.db2.gz	YWBXUGDOGLCKNO-UHFFFAOYSA-N	1	0	368.485	1.998	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1	ZINC000108606552	526002119	/nfs/dbraw/zinc/00/21/19/526002119.db2.gz	CLJZWDINKPZDSB-HOTGVXAUSA-N	1	0	357.454	1.874	20	30		FDEDRO
Cc1sc(NC(=O)C[NH2+][C@H](CC(N)=O)C2CCOCC2)c(C#N)c1C	ZINC000181969051	526002895	/nfs/dbraw/zinc/00/28/95/526002895.db2.gz	DHXQPPPTVVBVGG-CQSZACIVSA-N	1	0	364.471	1.435	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1	ZINC000108784165	526023048	/nfs/dbraw/zinc/02/30/48/526023048.db2.gz	AWIVLFFSBVJZKD-MRXNPFEDSA-N	1	0	361.467	1.074	20	30		FDEDRO
Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCO[C@H](C#N)C2)CC1	ZINC000171574878	526039209	/nfs/dbraw/zinc/03/92/09/526039209.db2.gz	RAXBTCOBSAOIQO-LJQANCHMSA-N	1	0	356.470	1.300	20	30		FDEDRO
C[C@H]1C[NH+](CCCNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)C[C@H](C)O1	ZINC000133298509	526043761	/nfs/dbraw/zinc/04/37/61/526043761.db2.gz	RAZGMOIIBAGUHL-HOTGVXAUSA-N	1	0	372.469	1.830	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)CC1	ZINC000108932397	526044366	/nfs/dbraw/zinc/04/43/66/526044366.db2.gz	VBBCTARKEBJIQL-UHFFFAOYSA-N	1	0	361.467	1.510	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1F	ZINC000156162131	526068680	/nfs/dbraw/zinc/06/86/80/526068680.db2.gz	BAMSMIQXHXBANX-TZMCWYRMSA-N	1	0	369.462	1.489	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1	ZINC000120470367	526074343	/nfs/dbraw/zinc/07/43/43/526074343.db2.gz	MSVWJKGGZVBLEO-YJBOKZPZSA-N	1	0	355.438	1.580	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccccc2CNC(=O)C2(C#N)CCOCC2)CC1	ZINC000109139836	526079176	/nfs/dbraw/zinc/07/91/76/526079176.db2.gz	SLXWLRUZYUMTPL-UHFFFAOYSA-N	1	0	370.497	1.761	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CN(C)S(=O)(=O)c2ccccc2)CC1	ZINC000171718879	526091156	/nfs/dbraw/zinc/09/11/56/526091156.db2.gz	IWCBWWIPJMTLGQ-UHFFFAOYSA-N	1	0	351.472	1.074	20	30		FDEDRO
Cn1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1=O	ZINC000120530472	526099593	/nfs/dbraw/zinc/09/95/93/526099593.db2.gz	LUVUGVDABWLPMY-UHFFFAOYSA-N	1	0	350.422	1.605	20	30		FDEDRO
CS(=O)(=O)N1CCC[C@@H]1CNC(=[NH2+])Nc1cccc2c1CCCC2	ZINC000133914386	526106642	/nfs/dbraw/zinc/10/66/42/526106642.db2.gz	OPQFPEUKZTUFCP-CQSZACIVSA-N	1	0	350.488	1.716	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1	ZINC000134094967	526123375	/nfs/dbraw/zinc/12/33/75/526123375.db2.gz	MYPPXJLPHZJHOV-LSDHHAIUSA-N	1	0	358.442	1.716	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCc2cccc([N+](=O)[O-])c2)CC1	ZINC000134243449	526138186	/nfs/dbraw/zinc/13/81/86/526138186.db2.gz	ZYRUKQGMVRRYCO-UHFFFAOYSA-N	1	0	363.418	1.663	20	30		FDEDRO
C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1	ZINC000156502403	526149954	/nfs/dbraw/zinc/14/99/54/526149954.db2.gz	WCQOLSABCMNONY-GFCCVEGCSA-N	1	0	352.416	1.477	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+](CC)Cc1ccc(C(=O)N(C)C)cc1	ZINC000156517127	526155861	/nfs/dbraw/zinc/15/58/61/526155861.db2.gz	FTZGGXNSYHRVAK-AWEZNQCLSA-N	1	0	360.458	1.611	20	30		FDEDRO
C=CC[C@@H](CO)NC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000183060752	535912851	/nfs/dbraw/zinc/91/28/51/535912851.db2.gz	QLRZCSAGSJRNBO-IBGZPJMESA-N	1	0	360.502	1.431	20	30		FDEDRO
C[C@H](O)[C@@H]1CC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000183176348	535935200	/nfs/dbraw/zinc/93/52/00/535935200.db2.gz	NOHMCQKXKROEJU-DZGCQCFKSA-N	1	0	354.372	1.876	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(n2cc(C(=O)OC)nn2)CC1	ZINC000183741183	536040619	/nfs/dbraw/zinc/04/06/19/536040619.db2.gz	PPMAVZRPKZVWDW-CQSZACIVSA-N	1	0	363.462	1.515	20	30		FDEDRO
C[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1Cl)CN1CC[NH+](C)CC1	ZINC000183744281	536041736	/nfs/dbraw/zinc/04/17/36/536041736.db2.gz	VSUHQAZXHIFUKN-ZDUSSCGKSA-N	1	0	370.906	1.373	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN[C@@H](CO)c1cccc(Br)c1	ZINC000183910386	536065202	/nfs/dbraw/zinc/06/52/02/536065202.db2.gz	BJPZJDCLMBGDNR-LBPRGKRZSA-N	1	0	356.220	1.084	20	30		FDEDRO
CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000184641701	536171844	/nfs/dbraw/zinc/17/18/44/536171844.db2.gz	AXQIJDQAKPGJCO-MRXNPFEDSA-N	1	0	353.430	1.943	20	30		FDEDRO
C[C@@H]1CCCN1S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000184939538	536192787	/nfs/dbraw/zinc/19/27/87/536192787.db2.gz	BGDIZDADCHHIHD-OAHLLOKOSA-N	1	0	350.488	1.651	20	30		FDEDRO
C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000185334854	536205719	/nfs/dbraw/zinc/20/57/19/536205719.db2.gz	WIYSLINKKSDOAW-CYBMUJFWSA-N	1	0	370.906	1.516	20	30		FDEDRO
COCCNS(=O)(=O)c1cccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)c1	ZINC000185837420	536218832	/nfs/dbraw/zinc/21/88/32/536218832.db2.gz	JXDHBJAQUOJIOI-HOCLYGCPSA-N	1	0	351.472	1.783	20	30		FDEDRO
C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1	ZINC000186145798	536227135	/nfs/dbraw/zinc/22/71/35/536227135.db2.gz	ZZHBOBYDPUKFES-KRWDZBQOSA-N	1	0	360.477	1.997	20	30		FDEDRO
C#CCSCCNC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000187226515	536258264	/nfs/dbraw/zinc/25/82/64/536258264.db2.gz	WWMPEWFRUJRLEK-LJQANCHMSA-N	1	0	361.511	1.631	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1[C@@H]2CC[C@H]1C[N@H+](CC)CC2	ZINC000187809496	536274993	/nfs/dbraw/zinc/27/49/93/536274993.db2.gz	BEFPENHBLDCCHV-CVEARBPZSA-N	1	0	370.453	1.981	20	30		FDEDRO
C[NH+]=C(NCc1cnc(N(C)C)n1C)N[C@H]1CCN(c2ccccc2)C1	ZINC000262802336	536905797	/nfs/dbraw/zinc/90/57/97/536905797.db2.gz	RDFCAWNCYBHXJF-HNNXBMFYSA-N	1	0	355.490	1.430	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@H](c1c(F)cccc1F)N(C)C	ZINC000267364369	536970165	/nfs/dbraw/zinc/97/01/65/536970165.db2.gz	RTTIWXMEDVJQIW-MRXNPFEDSA-N	1	0	369.460	1.065	20	30		FDEDRO
CC[NH+]=C(NCc1cccc(S(N)(=O)=O)c1)N1CCc2ccccc21	ZINC000263109936	536975396	/nfs/dbraw/zinc/97/53/96/536975396.db2.gz	DPHPFKXHKIURIN-UHFFFAOYSA-N	1	0	358.467	1.862	20	30		FDEDRO
CC[NH+]=C(NCCN1c2ccccc2C[C@@H]1C)N1CCN(C(C)=O)CC1	ZINC000263236029	536997537	/nfs/dbraw/zinc/99/75/37/536997537.db2.gz	JNTJMNSHMAPDCE-INIZCTEOSA-N	1	0	357.502	1.567	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1	ZINC000268950608	537016442	/nfs/dbraw/zinc/01/64/42/537016442.db2.gz	CZFQRWIUXMLZMD-MOPGFXCFSA-N	1	0	372.469	1.766	20	30		FDEDRO
COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C#N)cc1Cl	ZINC000269072362	537018603	/nfs/dbraw/zinc/01/86/03/537018603.db2.gz	FSVKMIFTDXMLEI-UHFFFAOYSA-N	1	0	352.822	1.187	20	30		FDEDRO
COC(=O)CCc1csc(NC(=O)N(CCC#N)CCC[NH+](C)C)n1	ZINC000269093539	537019005	/nfs/dbraw/zinc/01/90/05/537019005.db2.gz	CRTYWVTWUJQFJO-UHFFFAOYSA-N	1	0	367.475	1.948	20	30		FDEDRO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCO[C@@H](C[NH+](C)C)C1	ZINC000246774080	537023942	/nfs/dbraw/zinc/02/39/42/537023942.db2.gz	YWTCLCKOTKLHOS-STQMWFEESA-N	1	0	362.499	1.698	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](CN2CCOCC2)C1	ZINC000246947069	537056695	/nfs/dbraw/zinc/05/66/95/537056695.db2.gz	QZODQRHKUBGRCJ-ICSRJNTNSA-N	1	0	360.498	1.809	20	30		FDEDRO
CS(=O)(=O)NC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C#N)C1	ZINC000263689151	537065977	/nfs/dbraw/zinc/06/59/77/537065977.db2.gz	JNVTXXXOAJBXBU-AWEZNQCLSA-N	1	0	364.471	1.148	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CCN(c3cccc(OC)c3)C2)CC1	ZINC000263739527	537084157	/nfs/dbraw/zinc/08/41/57/537084157.db2.gz	DAQKNECYIZKYTF-QGZVFWFLSA-N	1	0	355.482	1.983	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(C/N=C/c2ccc(O)c(O)c2O)c1	ZINC000263842765	537115445	/nfs/dbraw/zinc/11/54/45/537115445.db2.gz	KXBOMOYNAMNYAY-UDWIEESQSA-N	1	0	357.410	1.714	20	30		FDEDRO
CCO[C@@H]1C[C@](CO)([NH2+]CC(=O)N(C)C2(C#N)CCCCC2)C1(C)C	ZINC000190018837	537127681	/nfs/dbraw/zinc/12/76/81/537127681.db2.gz	VDHBRGAOMWWNDR-DNVCBOLYSA-N	1	0	351.491	1.827	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)n1	ZINC000190026652	537129568	/nfs/dbraw/zinc/12/95/68/537129568.db2.gz	DOOASVIDHVHFLT-OAHLLOKOSA-N	1	0	358.446	1.361	20	30		FDEDRO
C[C@@H]1C[NH+](Cc2ccc(CNC(=O)N3CCO[C@@H](C#N)C3)cc2)C[C@@H](C)O1	ZINC000247568605	537135425	/nfs/dbraw/zinc/13/54/25/537135425.db2.gz	GWVVJDGVBHINSJ-MDZRGWNJSA-N	1	0	372.469	1.730	20	30		FDEDRO
CCCOc1ncccc1CNC(=[NH2+])N1CCN(c2ncccn2)CC1	ZINC000264103123	537137003	/nfs/dbraw/zinc/13/70/03/537137003.db2.gz	OOTGGPPQCIVMBW-UHFFFAOYSA-N	1	0	355.446	1.297	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H](O)C1CCOCC1)C(C)C	ZINC000265574797	537158608	/nfs/dbraw/zinc/15/86/08/537158608.db2.gz	PIXQVGBOCRSMLK-MSOLQXFVSA-N	1	0	353.507	1.772	20	30		FDEDRO
Cn1cc(C[NH2+]CCC(=O)N2CCN(c3ccccn3)CC2)cc1C#N	ZINC000190912169	537190662	/nfs/dbraw/zinc/19/06/62/537190662.db2.gz	GWHJXODKOVZLQL-UHFFFAOYSA-N	1	0	352.442	1.120	20	30		FDEDRO
CCc1cccc(NC(=[NH2+])NCc2ccc(S(=O)(=O)CCO)cc2)c1	ZINC000191170150	537198887	/nfs/dbraw/zinc/19/88/87/537198887.db2.gz	DUXJQSPHYJRJOK-UHFFFAOYSA-N	1	0	361.467	1.942	20	30		FDEDRO
CCC1(CC)[C@H]([NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C[C@@H]1OC	ZINC000248836876	537215273	/nfs/dbraw/zinc/21/52/73/537215273.db2.gz	NUSJIKVDMZNBRL-KURKYZTESA-N	1	0	364.534	1.862	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@@H](C)CC#N)cc(N2CC[NH+](C(C)C)CC2)c1	ZINC000192174130	537221290	/nfs/dbraw/zinc/22/12/90/537221290.db2.gz	OXDSCOQHYPDHTE-INIZCTEOSA-N	1	0	371.485	1.882	20	30		FDEDRO
N#CC1(CS(=O)(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1	ZINC000192237755	537222221	/nfs/dbraw/zinc/22/22/21/537222221.db2.gz	RSZFOQRIKSZGNQ-KRWDZBQOSA-N	1	0	363.483	1.501	20	30		FDEDRO
N#Cc1cc(C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)ccn1	ZINC000192763465	537232753	/nfs/dbraw/zinc/23/27/53/537232753.db2.gz	BKNWNANFXIWRRB-UHFFFAOYSA-N	1	0	363.421	1.903	20	30		FDEDRO
Cc1sc(NC(=O)CN2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c(C#N)c1C	ZINC000249517029	537237125	/nfs/dbraw/zinc/23/71/25/537237125.db2.gz	RTCCQHMULZTOKI-NEPJUHHUSA-N	1	0	350.488	1.562	20	30		FDEDRO
CC(C)(C)[C@@H](CO)[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000193098046	537239927	/nfs/dbraw/zinc/23/99/27/537239927.db2.gz	RTUYMESUZQDURY-GDBMZVCRSA-N	1	0	364.515	1.454	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000250346887	537244994	/nfs/dbraw/zinc/24/49/94/537244994.db2.gz	YZNKUEMNWDKMDR-WSTZPKSXSA-N	1	0	363.550	1.531	20	30		FDEDRO
C=CCc1cc(C(=O)N2CCN(C[C@H](C)O)C[C@@H]2C)cc(OC)c1OC	ZINC000251950003	537249196	/nfs/dbraw/zinc/24/91/96/537249196.db2.gz	UYRJQVXVVURXPX-GJZGRUSLSA-N	1	0	362.470	1.959	20	30		FDEDRO
C[NH+]=C(NC[C@H](c1ccco1)N(C)C)N1CCO[C@H](c2cnn(C)c2)C1	ZINC000261797077	537253362	/nfs/dbraw/zinc/25/33/62/537253362.db2.gz	RBNVQGUFGLZJOU-WBVHZDCISA-N	1	0	360.462	1.265	20	30		FDEDRO
C[C@H]1C[NH+](Cc2ccc(CNC(=O)Cn3cnc(C#N)n3)cc2)C[C@H](C)O1	ZINC000193719931	537254818	/nfs/dbraw/zinc/25/48/18/537254818.db2.gz	ZMOBMWZQOJBOMO-GJZGRUSLSA-N	1	0	368.441	1.075	20	30		FDEDRO
C[C@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)C[NH+]1CCN(C)CC1	ZINC000285767931	537264106	/nfs/dbraw/zinc/26/41/06/537264106.db2.gz	ZWEJALZXBIEUPE-OAHLLOKOSA-N	1	0	360.477	1.975	20	30		FDEDRO
Cn1cc(C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)c(-c2ccc(C#N)cc2)n1	ZINC000272334945	537268053	/nfs/dbraw/zinc/26/80/53/537268053.db2.gz	XEROFCJPEOYMNS-OAHLLOKOSA-N	1	0	373.482	1.459	20	30		FDEDRO
C#CCN(C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)C1CC1	ZINC000276089702	537287466	/nfs/dbraw/zinc/28/74/66/537287466.db2.gz	FDDACKPQNOWHLN-UHFFFAOYSA-N	1	0	363.845	1.843	20	30		FDEDRO
C#CC[C@H](NC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1	ZINC000270175098	537292266	/nfs/dbraw/zinc/29/22/66/537292266.db2.gz	DANZNZWHOUDTBO-OALUTQOASA-N	1	0	370.497	1.993	20	30		FDEDRO
CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)C1	ZINC000270209780	537296884	/nfs/dbraw/zinc/29/68/84/537296884.db2.gz	QMHUZHVHXWKVIT-MRXNPFEDSA-N	1	0	354.454	1.638	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NCc1ccccc1OCC[NH+](C)C	ZINC000282674637	537331092	/nfs/dbraw/zinc/33/10/92/537331092.db2.gz	NZVNWIFRGRVHED-AWEZNQCLSA-N	1	0	354.476	1.053	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C)o1	ZINC000282853339	537341265	/nfs/dbraw/zinc/34/12/65/537341265.db2.gz	NZCVENSUNAIDIR-UHFFFAOYSA-N	1	0	372.491	1.059	20	30		FDEDRO
C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccccc3SCCC#N)C[C@H]2C1	ZINC000194923627	537349329	/nfs/dbraw/zinc/34/93/29/537349329.db2.gz	CWPGHNUUTQICPB-OKILXGFUSA-N	1	0	358.467	1.651	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H](c1cccs1)[NH+]1CCCC1	ZINC000283115922	537355505	/nfs/dbraw/zinc/35/55/05/537355505.db2.gz	YMBHPJHJSPPCIV-ZIAGYGMSSA-N	1	0	356.517	1.953	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1	ZINC000272909628	537359401	/nfs/dbraw/zinc/35/94/01/537359401.db2.gz	DEZNXKNOEQJMPM-UHFFFAOYSA-N	1	0	365.499	1.682	20	30		FDEDRO
Cc1cc(N2CCC([N@H+](C)CC(=O)NC3(C#N)CCC3)CC2)nc(C)n1	ZINC000363908720	537359885	/nfs/dbraw/zinc/35/98/85/537359885.db2.gz	IFYGZCXDDIXGLP-UHFFFAOYSA-N	1	0	356.474	1.557	20	30		FDEDRO
C#CCN(C)C(=O)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1	ZINC000283510279	537379848	/nfs/dbraw/zinc/37/98/48/537379848.db2.gz	FGOPAZDEMRHEAH-UHFFFAOYSA-N	1	0	370.453	1.531	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(CC2([NH+]3CCOCC3)CCCCC2)C1=O	ZINC000348451027	537387363	/nfs/dbraw/zinc/38/73/63/537387363.db2.gz	VEXBQAQUFUZIDY-OAHLLOKOSA-N	1	0	351.447	1.145	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)CCc2ccc(O)cc2)CC1	ZINC000283931797	537394154	/nfs/dbraw/zinc/39/41/54/537394154.db2.gz	JMZJASIMNPHYNR-MRXNPFEDSA-N	1	0	373.497	1.986	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cnc1C(F)(F)F	ZINC000293276632	537405723	/nfs/dbraw/zinc/40/57/23/537405723.db2.gz	GPHLRDGQHUSGNW-GFCCVEGCSA-N	1	0	368.359	1.766	20	30		FDEDRO
COCC[N@@H+]1CCCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000286023093	537408086	/nfs/dbraw/zinc/40/80/86/537408086.db2.gz	ONRLPVLBNYRZKA-KRWDZBQOSA-N	1	0	374.460	1.704	20	30		FDEDRO
C=CC[C@@H](CO)NC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1	ZINC000273218027	537417871	/nfs/dbraw/zinc/41/78/71/537417871.db2.gz	BLQAWHLONZKVCP-SFHVURJKSA-N	1	0	361.486	1.940	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC[N@@H+](C2CCC2)C1	ZINC000293349651	537424842	/nfs/dbraw/zinc/42/48/42/537424842.db2.gz	FQIPWOVLFUOMRW-ZDUSSCGKSA-N	1	0	358.417	1.969	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@](C)(C(=O)OCC)c1ccccc1	ZINC000276330866	537427607	/nfs/dbraw/zinc/42/76/07/537427607.db2.gz	REWIXAOEEHDSFN-IFXJQAMLSA-N	1	0	361.442	1.497	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000365098226	537430169	/nfs/dbraw/zinc/43/01/69/537430169.db2.gz	QPYOPMMDBHYNFR-ZWKOTPCHSA-N	1	0	354.454	1.650	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)OC)CC1	ZINC000299157022	537458435	/nfs/dbraw/zinc/45/84/35/537458435.db2.gz	PAUYBYFZRKQZIH-LJQANCHMSA-N	1	0	367.449	1.713	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1	ZINC000271575974	537460385	/nfs/dbraw/zinc/46/03/85/537460385.db2.gz	CPPCITGVGWXHJX-UHFFFAOYSA-N	1	0	361.417	1.765	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1	ZINC000299196041	537471553	/nfs/dbraw/zinc/47/15/53/537471553.db2.gz	FBLKTSGDVUEMDK-UHFFFAOYSA-N	1	0	360.414	1.917	20	30		FDEDRO
Cc1cc(S(=O)(=O)N(C)CCC[N@@H+](C)CCN(C)C)ccc1C#N	ZINC000288356454	537486357	/nfs/dbraw/zinc/48/63/57/537486357.db2.gz	JGLNIBUENAEXNM-UHFFFAOYSA-N	1	0	352.504	1.371	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)[N@H+](C)Cc1ccccc1	ZINC000293494647	537487169	/nfs/dbraw/zinc/48/71/69/537487169.db2.gz	UEYTWVRYVBKWQI-CQSZACIVSA-N	1	0	351.410	1.528	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(NC(=O)OC)c(F)c1	ZINC000293518654	537497634	/nfs/dbraw/zinc/49/76/34/537497634.db2.gz	YRDJDCAWTIDAMW-UHFFFAOYSA-N	1	0	364.377	1.014	20	30		FDEDRO
CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000291003314	537502312	/nfs/dbraw/zinc/50/23/12/537502312.db2.gz	RDBIYBAEFSAUCF-MRXNPFEDSA-N	1	0	358.490	1.905	20	30		FDEDRO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](CCO)CCCO)sc2C1	ZINC000299246046	537505645	/nfs/dbraw/zinc/50/56/45/537505645.db2.gz	KJXYBRZBMMESNW-ZDUSSCGKSA-N	1	0	365.499	1.750	20	30		FDEDRO
CC(=O)N1CSC[C@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000365396484	537507606	/nfs/dbraw/zinc/50/76/06/537507606.db2.gz	RJUYQELWQNINFB-KRWDZBQOSA-N	1	0	372.494	1.582	20	30		FDEDRO
CCN(CCC[NH+]1CCCC1)C(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC000276445749	537514485	/nfs/dbraw/zinc/51/44/85/537514485.db2.gz	KZHMTTRWVRBROK-MSUUIHNZSA-N	1	0	363.462	1.030	20	30		FDEDRO
CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)cc1	ZINC000293680522	537560881	/nfs/dbraw/zinc/56/08/81/537560881.db2.gz	PRVDQJMOCHYIHW-IBGZPJMESA-N	1	0	354.458	1.957	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1cc(Cl)ccc1C(=O)OC	ZINC000293764718	537585455	/nfs/dbraw/zinc/58/54/55/537585455.db2.gz	KHGLZDBKHRAYTR-UHFFFAOYSA-N	1	0	358.847	1.360	20	30		FDEDRO
C[N@H+](CC(=O)Nc1sccc1C#N)C1CCN(c2ncccn2)CC1	ZINC000365814225	537588513	/nfs/dbraw/zinc/58/85/13/537588513.db2.gz	CJJSLPLHFCAFCI-UHFFFAOYSA-N	1	0	356.455	1.949	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1F	ZINC000291428041	537590121	/nfs/dbraw/zinc/59/01/21/537590121.db2.gz	YGFKMQPRERQBQB-DLBZAZTESA-N	1	0	374.416	1.130	20	30		FDEDRO
CC(=O)N1CCN(C(=O)CC[NH2+]Cc2ccc(N(C)CCC#N)cc2)CC1	ZINC000237196206	537617277	/nfs/dbraw/zinc/61/72/77/537617277.db2.gz	AUNKXOQLDCIAIR-UHFFFAOYSA-N	1	0	371.485	1.207	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1	ZINC000285120075	537618783	/nfs/dbraw/zinc/61/87/83/537618783.db2.gz	WFTLUOLOFPJFKS-UHFFFAOYSA-N	1	0	362.499	1.198	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1	ZINC000237324889	537623452	/nfs/dbraw/zinc/62/34/52/537623452.db2.gz	NWQMQIRMQDFIGK-HIFRSBDPSA-N	1	0	351.472	1.350	20	30		FDEDRO
C[NH+](C)CC1(CNC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)CCCC1	ZINC000329175175	537635658	/nfs/dbraw/zinc/63/56/58/537635658.db2.gz	LLCXLGQFSUWVAV-GVDBMIGSSA-N	1	0	353.507	1.884	20	30		FDEDRO
Cc1ccc(N2CCC[C@H](NC(=O)N3CC[N@@H+](C)C[C@H]3C(C)C)C2)nn1	ZINC000329417758	537636795	/nfs/dbraw/zinc/63/67/95/537636795.db2.gz	GNZWFYXAGJTZQN-IRXDYDNUSA-N	1	0	360.506	1.940	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C	ZINC000294066164	537651548	/nfs/dbraw/zinc/65/15/48/537651548.db2.gz	VKOPDLWNZOTOFQ-UHFFFAOYSA-N	1	0	352.442	1.222	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(COC)cc2)CC1	ZINC000285185248	537652776	/nfs/dbraw/zinc/65/27/76/537652776.db2.gz	YWMCBZGDBQJFMT-UHFFFAOYSA-N	1	0	359.470	1.606	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCCc2ccc(OC)cc2)CC1	ZINC000285401011	537702586	/nfs/dbraw/zinc/70/25/86/537702586.db2.gz	HVRWAGFXHMZJAM-UHFFFAOYSA-N	1	0	359.470	1.511	20	30		FDEDRO
CS(=O)(=O)CC1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000292086638	537707606	/nfs/dbraw/zinc/70/76/06/537707606.db2.gz	GHZAEVUFSMIDHJ-INIZCTEOSA-N	1	0	352.456	1.055	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1	ZINC000294995814	537710039	/nfs/dbraw/zinc/71/00/39/537710039.db2.gz	VDWXTKZWGAOCAX-UHFFFAOYSA-N	1	0	371.481	1.619	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(Cc3cc(=O)n4ccsc4n3)C2)nc1	ZINC000292168801	537712587	/nfs/dbraw/zinc/71/25/87/537712587.db2.gz	LQKULLCWRGEIHQ-CQSZACIVSA-N	1	0	353.407	1.676	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CC[N@@H+](CCN3C(=O)NC4(CCCC4)C3=O)C2)nc1	ZINC000292212377	537717124	/nfs/dbraw/zinc/71/71/24/537717124.db2.gz	OLDHXSLASPVHDT-HNNXBMFYSA-N	1	0	369.425	1.271	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)O1	ZINC000375840469	537779618	/nfs/dbraw/zinc/77/96/18/537779618.db2.gz	PJDPHGMMBKYRMO-OALUTQOASA-N	1	0	356.470	1.752	20	30		FDEDRO
N#CCC1(CNC(=O)C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)CC1	ZINC000418824415	537785886	/nfs/dbraw/zinc/78/58/86/537785886.db2.gz	IZAPQEJQFPQDEX-JKSUJKDBSA-N	1	0	358.417	1.279	20	30		FDEDRO
C#CCSCCNC(=O)N(C)C1CC[NH+](CC(=O)N2CCCC2)CC1	ZINC000371763228	537830266	/nfs/dbraw/zinc/83/02/66/537830266.db2.gz	WHSFOZACYFFALQ-UHFFFAOYSA-N	1	0	366.531	1.081	20	30		FDEDRO
C[NH2+]CC1CCN(C(=O)C(=O)NCCSCc2ccccc2C#N)CC1	ZINC000418910095	537838076	/nfs/dbraw/zinc/83/80/76/537838076.db2.gz	BBBKGWLTENQEGV-UHFFFAOYSA-N	1	0	374.510	1.366	20	30		FDEDRO
COC(=O)[C@@H]1CC[C@@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000376129325	537842904	/nfs/dbraw/zinc/84/29/04/537842904.db2.gz	SFIGZCMOBAAKDK-DLBZAZTESA-N	1	0	355.438	1.860	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1	ZINC000418919029	537848513	/nfs/dbraw/zinc/84/85/13/537848513.db2.gz	JRGHRFUMIFWYOP-XJKSGUPXSA-N	1	0	360.483	1.151	20	30		FDEDRO
CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCCSCc1ccccc1C#N	ZINC000418929153	537854079	/nfs/dbraw/zinc/85/40/79/537854079.db2.gz	WIZXQLRTUDBNNX-UHFFFAOYSA-N	1	0	362.499	1.351	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)NCc1ccc(C[NH+](C)C)c(F)c1	ZINC000409509189	537855227	/nfs/dbraw/zinc/85/52/27/537855227.db2.gz	IIHYLXPARGLESI-CYBMUJFWSA-N	1	0	356.467	1.703	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)[C@@H](C)C1	ZINC000410117126	537879751	/nfs/dbraw/zinc/87/97/51/537879751.db2.gz	DGVGTWQIUHPFQJ-JYJNAYRXSA-N	1	0	360.524	1.049	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)[C@H](C)C1	ZINC000410117129	537879875	/nfs/dbraw/zinc/87/98/75/537879875.db2.gz	DGVGTWQIUHPFQJ-XHSDSOJGSA-N	1	0	360.524	1.049	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NCc1ccc(OCCC[NH+](C)C)cc1	ZINC000410201062	537881578	/nfs/dbraw/zinc/88/15/78/537881578.db2.gz	WGCHZLMUQCXZTA-UHFFFAOYSA-N	1	0	368.503	1.587	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2	ZINC000414728743	537896313	/nfs/dbraw/zinc/89/63/13/537896313.db2.gz	OWZXNTPDVVQTAG-UHFFFAOYSA-N	1	0	366.396	1.940	20	30		FDEDRO
C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000419116169	537945206	/nfs/dbraw/zinc/94/52/06/537945206.db2.gz	OPNYENHAEBZDOQ-DOMZBBRYSA-N	1	0	367.371	1.430	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)ccc1OC(F)(F)F	ZINC000415301956	537993886	/nfs/dbraw/zinc/99/38/86/537993886.db2.gz	MHWJCGCUQSUJCZ-NSHDSACASA-N	1	0	356.304	1.264	20	30		FDEDRO
Cc1cc(NC(=O)N[C@H]2CCC[N@H+](CCCO)C2)c(C#N)cc1N(C)C	ZINC000417159549	538013810	/nfs/dbraw/zinc/01/38/10/538013810.db2.gz	ORUQZGNBOVEUMX-INIZCTEOSA-N	1	0	359.474	1.901	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC[C@@H]1[NH3+]	ZINC000415464210	538062735	/nfs/dbraw/zinc/06/27/35/538062735.db2.gz	RAJUQGQEEITANB-CABZTGNLSA-N	1	0	370.331	1.591	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC[C@@H]1[NH3+]	ZINC000415464214	538063134	/nfs/dbraw/zinc/06/31/34/538063134.db2.gz	RAJUQGQEEITANB-SKDRFNHKSA-N	1	0	370.331	1.591	20	30		FDEDRO
CCOc1ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c(F)c1	ZINC000411391783	538069339	/nfs/dbraw/zinc/06/93/39/538069339.db2.gz	RTZMXOIFVIDPIX-UHFFFAOYSA-N	1	0	364.421	1.857	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000378263404	538081388	/nfs/dbraw/zinc/08/13/88/538081388.db2.gz	VASGIDNCRKMTTO-WIBUTAKZSA-N	1	0	352.438	1.733	20	30		FDEDRO
C[C@@H](O)C[N@H+](C)C1CCN(c2ncc(Br)cc2C#N)CC1	ZINC000450319767	538119286	/nfs/dbraw/zinc/11/92/86/538119286.db2.gz	MJVQUVSWNKRBRD-LLVKDONJSA-N	1	0	353.264	1.997	20	30		FDEDRO
C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000423648212	538130372	/nfs/dbraw/zinc/13/03/72/538130372.db2.gz	ILQIMZBWLDLNCX-GOEBONIOSA-N	1	0	370.453	1.124	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)C2CC2)cc1	ZINC000419929325	538151120	/nfs/dbraw/zinc/15/11/20/538151120.db2.gz	MGMLJYHQJZUMGK-IBGZPJMESA-N	1	0	362.433	1.865	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C	ZINC000439340565	538167549	/nfs/dbraw/zinc/16/75/49/538167549.db2.gz	CIMALXJJUVEKCL-AWEZNQCLSA-N	1	0	358.442	1.837	20	30		FDEDRO
CON1CCC(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1	ZINC000422254215	538192959	/nfs/dbraw/zinc/19/29/59/538192959.db2.gz	MRCQXSAQQOLPTG-UHFFFAOYSA-N	1	0	359.474	1.657	20	30		FDEDRO
Cn1cc([C@@H]2C[N@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C[C@H]2CO)cn1	ZINC000444750372	538195511	/nfs/dbraw/zinc/19/55/11/538195511.db2.gz	BVULGQYBEJOOFS-IRXDYDNUSA-N	1	0	364.409	1.550	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C	ZINC000420042791	538196396	/nfs/dbraw/zinc/19/63/96/538196396.db2.gz	QXTKTUZTAOLAJW-YOEHRIQHSA-N	1	0	372.469	1.526	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C	ZINC000420053506	538198832	/nfs/dbraw/zinc/19/88/32/538198832.db2.gz	GKZMVQACOWULKG-RDJZCZTQSA-N	1	0	359.470	1.473	20	30		FDEDRO
C=CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C	ZINC000420073798	538202848	/nfs/dbraw/zinc/20/28/48/538202848.db2.gz	YVRXABOITGYDNE-CZUORRHYSA-N	1	0	363.433	1.570	20	30		FDEDRO
CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000420077431	538204946	/nfs/dbraw/zinc/20/49/46/538204946.db2.gz	CIWZZDWTFSEPMX-UHFFFAOYSA-N	1	0	372.469	1.562	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1	ZINC000424090288	538231215	/nfs/dbraw/zinc/23/12/15/538231215.db2.gz	IUNSCSBXSNMKSP-OAHLLOKOSA-N	1	0	364.833	1.772	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCC(C)(C)CC#N	ZINC000422347353	538231569	/nfs/dbraw/zinc/23/15/69/538231569.db2.gz	DJZBXGVRWMQDNB-WBVHZDCISA-N	1	0	356.470	1.679	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC[C@H]1[NH3+]	ZINC000440402220	538234860	/nfs/dbraw/zinc/23/48/60/538234860.db2.gz	CAGHMMBHNZDTEO-TVQRCGJNSA-N	1	0	358.261	1.679	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC[NH2+]1	ZINC000420138784	538237313	/nfs/dbraw/zinc/23/73/13/538237313.db2.gz	XTHYKQWVHNABDA-GDBMZVCRSA-N	1	0	370.453	1.185	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1	ZINC000424112667	538237659	/nfs/dbraw/zinc/23/76/59/538237659.db2.gz	KWMWTONVFGVOCV-AWEZNQCLSA-N	1	0	366.824	1.785	20	30		FDEDRO
CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1	ZINC000420140180	538239081	/nfs/dbraw/zinc/23/90/81/538239081.db2.gz	GXSBCPTVWLOMFE-SFHVURJKSA-N	1	0	354.454	1.808	20	30		FDEDRO
CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)[C@@H]([NH3+])CCCC#N	ZINC000424118857	538240117	/nfs/dbraw/zinc/24/01/17/538240117.db2.gz	FBOMJRZQDABZPH-NSHDSACASA-N	1	0	355.341	1.996	20	30		FDEDRO
C[C@](NC(=O)[C@@H]([NH3+])CCCC#N)(C(N)=O)c1cccc(C(F)(F)F)c1	ZINC000424123411	538241113	/nfs/dbraw/zinc/24/11/13/538241113.db2.gz	KJLBVNXRVVIWNN-SWLSCSKDSA-N	1	0	356.348	1.543	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NCc1c(OC)cc(OC)cc1OC	ZINC000451671110	538295672	/nfs/dbraw/zinc/29/56/72/538295672.db2.gz	FEYLBEAORWLZNQ-CVEARBPZSA-N	1	0	364.442	1.652	20	30		FDEDRO
C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000420469782	538300641	/nfs/dbraw/zinc/30/06/41/538300641.db2.gz	ZPARRXIVMWVQHR-NSHDSACASA-N	1	0	358.261	1.693	20	30		FDEDRO
C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C[C@H]1C[NH3+]	ZINC000420471474	538303304	/nfs/dbraw/zinc/30/33/04/538303304.db2.gz	ASGIIMXIHOHDIH-ZYHUDNBSSA-N	1	0	372.288	1.926	20	30		FDEDRO
C=CCCn1cc(C(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)nn1	ZINC000424879487	538355935	/nfs/dbraw/zinc/35/59/35/538355935.db2.gz	LDDRBOQRGUCSAG-UHFFFAOYSA-N	1	0	369.469	1.611	20	30		FDEDRO
N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1	ZINC000442714624	538370073	/nfs/dbraw/zinc/37/00/73/538370073.db2.gz	YNRIWKTWOAPOFH-OLZOCXBDSA-N	1	0	355.485	1.551	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1	ZINC000438196532	538421063	/nfs/dbraw/zinc/42/10/63/538421063.db2.gz	GXQJQDPWAMRSET-KSZLIROESA-N	1	0	352.523	1.539	20	30		FDEDRO
Cc1cc(C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)ncc1C#N	ZINC000457443196	538492183	/nfs/dbraw/zinc/49/21/83/538492183.db2.gz	DUVWPLNYSHKTSG-UHFFFAOYSA-N	1	0	363.465	1.939	20	30		FDEDRO
Cc1cc(C(=O)N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)ncc1C#N	ZINC000457544236	538499001	/nfs/dbraw/zinc/49/90/01/538499001.db2.gz	PGWIDPMAYDAOLO-SFHVURJKSA-N	1	0	371.485	1.129	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)c3cccc(C[NH+](C)C)c3)CC2)c1C#N	ZINC000472999528	538732028	/nfs/dbraw/zinc/73/20/28/538732028.db2.gz	JFJBMUHUZJXKCL-UHFFFAOYSA-N	1	0	366.469	1.624	20	30		FDEDRO
CC(C)[N@@H+]1CCCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1	ZINC000473625008	538787036	/nfs/dbraw/zinc/78/70/36/538787036.db2.gz	KUHAZQZLKLMPNT-LJQANCHMSA-N	1	0	368.481	1.992	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cc1	ZINC000489365660	538806764	/nfs/dbraw/zinc/80/67/64/538806764.db2.gz	XCUAYWKLJKEWDJ-KRWDZBQOSA-N	1	0	365.499	1.563	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC1	ZINC000485085842	538824072	/nfs/dbraw/zinc/82/40/72/538824072.db2.gz	JHTMLBVEJOXVCL-UHFFFAOYSA-N	1	0	365.393	1.249	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	ZINC000498325587	538825257	/nfs/dbraw/zinc/82/52/57/538825257.db2.gz	XZNWENVVABDXRS-QGZVFWFLSA-N	1	0	365.518	1.808	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C1CN(CC(F)(F)F)C1	ZINC000485359204	538837320	/nfs/dbraw/zinc/83/73/20/538837320.db2.gz	DEWMPDJOLMEZPM-UHFFFAOYSA-N	1	0	368.403	1.943	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCO[C@H](c3cccc(O)c3)C2)CC1	ZINC000561415032	545838404	/nfs/dbraw/zinc/83/84/04/545838404.db2.gz	UGTLCGDCYMRBSQ-SFHVURJKSA-N	1	0	373.453	1.059	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2cccc(N(C)C)c2)CC1	ZINC000561414569	545838739	/nfs/dbraw/zinc/83/87/39/545838739.db2.gz	HUSWIQQEAVHVBE-UHFFFAOYSA-N	1	0	358.486	1.478	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CCOC)[C@@H]2CC[C@H](C)C2)CC1	ZINC000561452316	545857819	/nfs/dbraw/zinc/85/78/19/545857819.db2.gz	FUHNIWHHCYUHEX-FUHWJXTLSA-N	1	0	365.518	1.807	20	30		FDEDRO
CN(CC[NH+]1CCCC1)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000562349819	546104763	/nfs/dbraw/zinc/10/47/63/546104763.db2.gz	UZGVXGDOXRJZOW-SFHVURJKSA-N	1	0	369.469	1.396	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(O[C@H]3CCOC3)cc2)c1C#N	ZINC000562508221	546161316	/nfs/dbraw/zinc/16/13/16/546161316.db2.gz	ZFXGKTLURKCQKD-HNNXBMFYSA-N	1	0	369.425	1.853	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000563027989	546363285	/nfs/dbraw/zinc/36/32/85/546363285.db2.gz	UTWHKTKJRVWLHH-IRXDYDNUSA-N	1	0	351.491	1.912	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCC(CCC#N)CC1	ZINC000563036248	546365951	/nfs/dbraw/zinc/36/59/51/546365951.db2.gz	KOVFVQXETBTYFI-QGZVFWFLSA-N	1	0	363.506	1.654	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1cc(=O)[nH]c(-c2ccccc2)n1	ZINC000563095705	546402045	/nfs/dbraw/zinc/40/20/45/546402045.db2.gz	POHZJQUDABWRHL-UHFFFAOYSA-N	1	0	363.425	2.091	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)NC1CCC(N2CC[NH2+]CC2)CC1	ZINC000563339602	546493943	/nfs/dbraw/zinc/49/39/43/546493943.db2.gz	USSVZXNWRMDBCD-UHFFFAOYSA-N	1	0	372.469	1.278	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2	ZINC000563491661	546555449	/nfs/dbraw/zinc/55/54/49/546555449.db2.gz	YDXZPVZFNHZMNL-LJQANCHMSA-N	1	0	357.458	1.655	20	30		FDEDRO
C[C@@H](CCNC(=O)C(=O)N1CCc2ccc(C#N)cc21)[NH+]1CCCCC1	ZINC000564183824	546834659	/nfs/dbraw/zinc/83/46/59/546834659.db2.gz	FUZHQKSNVMHHRB-HNNXBMFYSA-N	1	0	354.454	1.828	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](C(=O)NC[C@@]3(O)C[NH+]4CCC3CC4)C2)c(F)c1	ZINC000565194275	547246510	/nfs/dbraw/zinc/24/65/10/547246510.db2.gz	CHZSIHNQSHTUQW-FOIQADDNSA-N	1	0	372.444	1.097	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)nc1	ZINC000565300533	547296700	/nfs/dbraw/zinc/29/67/00/547296700.db2.gz	STQSWZFWLKQVEA-NVXWUHKLSA-N	1	0	372.450	1.632	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1	ZINC000565303643	547298236	/nfs/dbraw/zinc/29/82/36/547298236.db2.gz	XDFNKJOTJDGLCD-SFHVURJKSA-N	1	0	354.454	1.313	20	30		FDEDRO
C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N	ZINC000565422613	547344119	/nfs/dbraw/zinc/34/41/19/547344119.db2.gz	QPGYSKSCMJFLNO-STQMWFEESA-N	1	0	367.409	1.926	20	30		FDEDRO
N#CCC1(CS(=O)(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CC1	ZINC000565521329	547382604	/nfs/dbraw/zinc/38/26/04/547382604.db2.gz	QYRSIMDWAYHXPL-UHFFFAOYSA-N	1	0	355.504	1.444	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]CCc2cn3c(n2)SCC3)c1	ZINC000566132153	547618924	/nfs/dbraw/zinc/61/89/24/547618924.db2.gz	LPJXSFYQMJZSBN-UHFFFAOYSA-N	1	0	362.480	1.466	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1	ZINC000566338084	547720151	/nfs/dbraw/zinc/72/01/51/547720151.db2.gz	MCPFFZQHPLVXGN-ZFWWWQNUSA-N	1	0	372.922	1.911	20	30		FDEDRO
N#Cc1cccc(OCCCCC(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)c1	ZINC000566576970	547815082	/nfs/dbraw/zinc/81/50/82/547815082.db2.gz	QDJFHRVSVHJJOS-HXUWFJFHSA-N	1	0	357.454	1.680	20	30		FDEDRO
C=CCn1c2nnc(SC[C@H](O)C[N@@H+](C)CC)n2c2ccccc2c1=O	ZINC000567367034	548094000	/nfs/dbraw/zinc/09/40/00/548094000.db2.gz	RVAIHCQAPLMOAQ-CYBMUJFWSA-N	1	0	373.482	1.635	20	30		FDEDRO
C[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)N(C)c1ccccc1	ZINC000567677127	548207518	/nfs/dbraw/zinc/20/75/18/548207518.db2.gz	GHHPGSIZZSFOJZ-OAHLLOKOSA-N	1	0	358.467	1.841	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CC(=O)N(C3CCCCC3)C2)cc1	ZINC000567687406	548213747	/nfs/dbraw/zinc/21/37/47/548213747.db2.gz	HECVYQJHUMOAGF-AEFFLSMTSA-N	1	0	357.454	1.821	20	30		FDEDRO
C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)C1(S(C)(=O)=O)CC1	ZINC000567708489	548222865	/nfs/dbraw/zinc/22/28/65/548222865.db2.gz	PSIACHUHEXSUSN-ZFWWWQNUSA-N	1	0	352.456	1.048	20	30		FDEDRO
C[C@H]1CC[N@H+](C)CCN1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000568463686	548545844	/nfs/dbraw/zinc/54/58/44/548545844.db2.gz	WQSAMAFFHHWAMC-YJBOKZPZSA-N	1	0	369.469	1.395	20	30		FDEDRO
N#Cc1ccc2ncc(CN3CCC[C@H](CNS(=O)(=O)C4CC4)C3)n2c1	ZINC000568697370	548640576	/nfs/dbraw/zinc/64/05/76/548640576.db2.gz	PGFSMGXZFDLYSZ-OAHLLOKOSA-N	1	0	373.482	1.500	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2C[C@H](C)n3ccnc32)c1	ZINC000569197165	548829394	/nfs/dbraw/zinc/82/93/94/548829394.db2.gz	BTKUPLSKQSZSMG-WFASDCNBSA-N	1	0	360.439	1.783	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000569333234	548878581	/nfs/dbraw/zinc/87/85/81/548878581.db2.gz	ZLXNTAALKRSCEO-JKSUJKDBSA-N	1	0	363.483	1.569	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCc2nc(COC)nn2C1	ZINC000569351079	548886532	/nfs/dbraw/zinc/88/65/32/548886532.db2.gz	MJHRQFINNDFDAS-SJORKVTESA-N	1	0	372.469	1.497	20	30		FDEDRO
C[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)N(C)Cc1ccccc1	ZINC000570037578	549137178	/nfs/dbraw/zinc/13/71/78/549137178.db2.gz	BVYSPIBGVPRYBX-MRXNPFEDSA-N	1	0	372.494	1.837	20	30		FDEDRO
CCn1cc([C@H]2OCCC[C@@H]2[NH2+]C[C@H]2CNc3c(C#N)cnn3C2)cn1	ZINC000570093271	549156022	/nfs/dbraw/zinc/15/60/22/549156022.db2.gz	MQABBHTUXKZORX-RRQGHBQHSA-N	1	0	355.446	1.523	20	30		FDEDRO
C=CCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1	ZINC000570130321	549168524	/nfs/dbraw/zinc/16/85/24/549168524.db2.gz	OJPWPUMHNCJVFN-DLBZAZTESA-N	1	0	360.506	1.184	20	30		FDEDRO
CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC(=O)N(C)C3(C#N)CCCCC3)[C@H]2C1	ZINC000570314166	549235986	/nfs/dbraw/zinc/23/59/86/549235986.db2.gz	IDOJYJIXTCTRFN-OKZBNKHCSA-N	1	0	360.502	1.908	20	30		FDEDRO
Cc1cccc(C[C@H](CO)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)c1	ZINC000570682482	549374173	/nfs/dbraw/zinc/37/41/73/549374173.db2.gz	GURCNTCXCFJGOZ-QGZVFWFLSA-N	1	0	359.451	1.229	20	30		FDEDRO
COCCN(C)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000570812521	549421622	/nfs/dbraw/zinc/42/16/22/549421622.db2.gz	BUVQOTSRQGOOJX-LJQANCHMSA-N	1	0	374.485	1.148	20	30		FDEDRO
CO[C@H]1C[C@H]([NH2+]CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C12CCC2	ZINC000571024116	549496160	/nfs/dbraw/zinc/49/61/60/549496160.db2.gz	WIAQTQOTCXQFEB-HOTGVXAUSA-N	1	0	373.457	1.051	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(C#N)cc1	ZINC000571836753	549777963	/nfs/dbraw/zinc/77/79/63/549777963.db2.gz	LCCRQGVHRZUHKM-PBHICJAKSA-N	1	0	350.488	1.870	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC(C)(C)OC2(C)C)CC1	ZINC000572389694	549904211	/nfs/dbraw/zinc/90/42/11/549904211.db2.gz	CFFIIJWGGBWETE-HNNXBMFYSA-N	1	0	351.491	1.605	20	30		FDEDRO
CS(=O)(=O)N1CC[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000572412323	549909463	/nfs/dbraw/zinc/90/94/63/549909463.db2.gz	CRZXHJGEFPHVLH-KRWDZBQOSA-N	1	0	373.482	1.587	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]CCNC(=O)c2ccccc2F)cc1	ZINC000572834466	550004937	/nfs/dbraw/zinc/00/49/37/550004937.db2.gz	LQFZRRMZSYONEY-OAHLLOKOSA-N	1	0	357.385	1.457	20	30		FDEDRO
COc1cc(C[N@@H+]2CC[C@@H](Nc3ccc(C#N)c(N)n3)C2)cc(OC)c1	ZINC000573506064	550152719	/nfs/dbraw/zinc/15/27/19/550152719.db2.gz	PLLKDKZXKFDHBL-OAHLLOKOSA-N	1	0	353.426	2.239	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](O)Cc2cccc(F)c2)cc1	ZINC000573564838	550165975	/nfs/dbraw/zinc/16/59/75/550165975.db2.gz	KVSMROOLHMKJSL-OALUTQOASA-N	1	0	358.413	1.825	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1	ZINC000573678127	550190172	/nfs/dbraw/zinc/19/01/72/550190172.db2.gz	NVLIVJQKJSETDS-RBUKOAKNSA-N	1	0	358.486	1.016	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1	ZINC000573776963	550208482	/nfs/dbraw/zinc/20/84/82/550208482.db2.gz	HMTOBEYFSKTNDR-UHFFFAOYSA-N	1	0	368.485	1.659	20	30		FDEDRO
Cc1ccc([C@@H](C[NH2+]C[C@H](O)CN(C)CCC#N)N2CCOCC2)cc1	ZINC000573901376	550228877	/nfs/dbraw/zinc/22/88/77/550228877.db2.gz	BHJMEAYLHTZCBU-VQTJNVASSA-N	1	0	360.502	1.164	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1	ZINC000574512691	550326329	/nfs/dbraw/zinc/32/63/29/550326329.db2.gz	SPNQVLMSNXDWTO-QBIMZIAESA-N	1	0	366.412	1.033	20	30		FDEDRO
COc1ccc(-c2noc(CCC(=O)N[C@](C)(C#N)CN(C)C)n2)cc1	ZINC000574892833	550387904	/nfs/dbraw/zinc/38/79/04/550387904.db2.gz	HASXNFNUWHVAMZ-GOSISDBHSA-N	1	0	357.414	1.638	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC(CC[NH3+])CC3)C2=O)cc1	ZINC000575810896	550478533	/nfs/dbraw/zinc/47/85/33/550478533.db2.gz	YJAPJVIHXBJRGC-GOSISDBHSA-N	1	0	369.469	1.430	20	30		FDEDRO
N#Cc1cc(NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)ncn1	ZINC000576318353	550535148	/nfs/dbraw/zinc/53/51/48/550535148.db2.gz	IPFWAARVFHBLSQ-MRXNPFEDSA-N	1	0	350.426	1.658	20	30		FDEDRO
CC(C)[C@@H]1OCCC[C@H]1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000577098293	550620451	/nfs/dbraw/zinc/62/04/51/550620451.db2.gz	TTWAKYXFFRRZPI-RDJZCZTQSA-N	1	0	351.472	1.768	20	30		FDEDRO
CN1CCO[C@@H](CN(CC2CC2)C(=O)NCC#Cc2cccc(F)c2)C1	ZINC000577233012	550635276	/nfs/dbraw/zinc/63/52/76/550635276.db2.gz	AOENUDXCTAWXAX-LJQANCHMSA-N	1	0	359.445	1.929	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1	ZINC000577963181	550713707	/nfs/dbraw/zinc/71/37/07/550713707.db2.gz	RJMDAHBJSVNHNW-UHFFFAOYSA-N	1	0	351.491	1.420	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)NCC[C@@H]3CCC[NH2+]C3)C2=O)cc1	ZINC000578173005	550735625	/nfs/dbraw/zinc/73/56/25/550735625.db2.gz	XJYLASXNGQRKOJ-WMZOPIPTSA-N	1	0	369.469	1.743	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)ncc1C#N	ZINC000578336321	550753668	/nfs/dbraw/zinc/75/36/68/550753668.db2.gz	BWEQNNXVFJXVMG-CYBMUJFWSA-N	1	0	355.442	1.533	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([N@H+]3C[C@@H](c4ccccc4)[C@H](C(N)=O)C3)C2=O)cc1	ZINC000578420621	550761356	/nfs/dbraw/zinc/76/13/56/550761356.db2.gz	HUMUWILSMOPSIO-ZCNNSNEGSA-N	1	0	374.444	1.864	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)c1	ZINC000578501754	550770371	/nfs/dbraw/zinc/77/03/71/550770371.db2.gz	YUDRQAQPIQMGLW-LLVKDONJSA-N	1	0	352.341	1.295	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1	ZINC000578658611	550788161	/nfs/dbraw/zinc/78/81/61/550788161.db2.gz	FEIWRQFVZBTERS-CQSZACIVSA-N	1	0	351.472	1.100	20	30		FDEDRO
C[C@]1(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCC[NH2+]C1	ZINC000579098135	550835257	/nfs/dbraw/zinc/83/52/57/550835257.db2.gz	FPHHZVGVIIDPIT-PXNSSMCTSA-N	1	0	369.469	1.348	20	30		FDEDRO
C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCc1ccc(CC#N)cc1	ZINC000579107842	550836198	/nfs/dbraw/zinc/83/61/98/550836198.db2.gz	GLRPEMCGTJCLEB-BBWFWOEESA-N	1	0	370.497	1.851	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2ccc(C#N)cc2OC)CC1	ZINC000579578651	550887842	/nfs/dbraw/zinc/88/78/42/550887842.db2.gz	YZDPHRALLHHCQH-UHFFFAOYSA-N	1	0	373.457	1.585	20	30		FDEDRO
C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1	ZINC000579695266	550900386	/nfs/dbraw/zinc/90/03/86/550900386.db2.gz	UTRQRYHNJGRUJZ-OAHLLOKOSA-N	1	0	363.458	1.087	20	30		FDEDRO
C[NH+](C)CC1CCC(NC(=O)C(=O)NCc2ccc(CC#N)cc2)CC1	ZINC000579711356	550902467	/nfs/dbraw/zinc/90/24/67/550902467.db2.gz	OASWURRTELJSJK-UHFFFAOYSA-N	1	0	356.470	1.605	20	30		FDEDRO
C=CCn1c(-c2nnn(C)c2C)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C	ZINC000580158263	550948806	/nfs/dbraw/zinc/94/88/06/550948806.db2.gz	NVAWNGCXGYGXJM-HIFRSBDPSA-N	1	0	358.494	1.735	20	30		FDEDRO
C=CCN=c1[nH]cc(C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)s1	ZINC000580563491	550995561	/nfs/dbraw/zinc/99/55/61/550995561.db2.gz	WMIJXLCYXAYOJP-ZFWWWQNUSA-N	1	0	350.488	2.100	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CCN(Cc3nnnn3Cc3ccccc3)C2)nc1	ZINC000580751063	551014168	/nfs/dbraw/zinc/01/41/68/551014168.db2.gz	NMCAGQOQBDNMFW-KRWDZBQOSA-N	1	0	361.409	1.641	20	30		FDEDRO
COC(=O)Cn1cc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)nn1	ZINC000580789262	551018862	/nfs/dbraw/zinc/01/88/62/551018862.db2.gz	GSHJCAIFOBOBTA-UHFFFAOYSA-N	1	0	354.414	1.081	20	30		FDEDRO
O=C(NCC1CC[NH2+]CC1)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000580821293	551021851	/nfs/dbraw/zinc/02/18/51/551021851.db2.gz	MDXXKNLPVNVJPR-UHFFFAOYSA-N	1	0	362.433	1.536	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(C#N)CC2)C[N@@H+]1Cc1ccccc1	ZINC000580914508	551032313	/nfs/dbraw/zinc/03/23/13/551032313.db2.gz	ZLQRCRSQEISGLX-QAPCUYQASA-N	1	0	354.454	1.528	20	30		FDEDRO
CCc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(C#N)n2)[NH+](C)C)cc1	ZINC000581942412	551153326	/nfs/dbraw/zinc/15/33/26/551153326.db2.gz	QRYFGIZCJVLSMP-KRWDZBQOSA-N	1	0	365.437	1.873	20	30		FDEDRO
C[C@H]([NH3+])C1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000581993015	551159942	/nfs/dbraw/zinc/15/99/42/551159942.db2.gz	WIFNTGZADFUQDJ-KBXCAEBGSA-N	1	0	369.469	1.428	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000582143532	551182210	/nfs/dbraw/zinc/18/22/10/551182210.db2.gz	XBANXTMVEAGJDE-JKSUJKDBSA-N	1	0	351.491	1.417	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)ncc1C#N	ZINC000582190100	551188724	/nfs/dbraw/zinc/18/87/24/551188724.db2.gz	KJDWXRQUHWWVHL-OAHLLOKOSA-N	1	0	365.437	1.837	20	30		FDEDRO
CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+][C@H]1CCc2ccc(C#N)cc21	ZINC000582211073	551190801	/nfs/dbraw/zinc/19/08/01/551190801.db2.gz	UXTJQBZKTHXRJJ-WMZOPIPTSA-N	1	0	362.499	1.796	20	30		FDEDRO
CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1	ZINC000582269848	551199020	/nfs/dbraw/zinc/19/90/20/551199020.db2.gz	XKTHHXMZVWHXRI-MRXNPFEDSA-N	1	0	371.485	1.312	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO	ZINC000582532066	551237395	/nfs/dbraw/zinc/23/73/95/551237395.db2.gz	YZZKROPMGRDABU-MANSERQUSA-N	1	0	359.470	1.512	20	30		FDEDRO
CC1CC[NH+](C[C@@H](O)CNCCS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000582666522	551253930	/nfs/dbraw/zinc/25/39/30/551253930.db2.gz	VFNIGSMNINTTKG-KRWDZBQOSA-N	1	0	365.499	1.014	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Br)ccc2C#N)C1	ZINC000583013232	551290825	/nfs/dbraw/zinc/29/08/25/551290825.db2.gz	OSKWYZZGGZYJPH-NSHDSACASA-N	1	0	372.288	1.941	20	30		FDEDRO
C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNS(=O)(=O)c2cncc(C#N)c2)C1	ZINC000583172584	551313894	/nfs/dbraw/zinc/31/38/94/551313894.db2.gz	HBDPLSCSCYUSJM-ZIAGYGMSSA-N	1	0	350.488	1.988	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000583335652	551336964	/nfs/dbraw/zinc/33/69/64/551336964.db2.gz	ZUOJBCYZPDBMRU-DZGCQCFKSA-N	1	0	351.491	1.509	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000583335655	551337129	/nfs/dbraw/zinc/33/71/29/551337129.db2.gz	ZUOJBCYZPDBMRU-ZFWWWQNUSA-N	1	0	351.491	1.509	20	30		FDEDRO
Cc1nnc([C@H]2CC[N@@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)[nH]1	ZINC000583739103	551394429	/nfs/dbraw/zinc/39/44/29/551394429.db2.gz	ALKYYCHRKGDEDW-DOTOQJQBSA-N	1	0	350.426	1.970	20	30		FDEDRO
Cc1ccccc1CN1CCN(C(=O)COc2cnc(C#N)nc2)CC1	ZINC000584297590	551477032	/nfs/dbraw/zinc/47/70/32/551477032.db2.gz	QJOSAMKQBGCLQQ-UHFFFAOYSA-N	1	0	351.410	1.380	20	30		FDEDRO
COc1cc(CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1C#N	ZINC000584443919	551497524	/nfs/dbraw/zinc/49/75/24/551497524.db2.gz	MUNDPZDSNWTEEM-INIZCTEOSA-N	1	0	358.442	1.431	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccc(C#N)cc1	ZINC000584460280	551500257	/nfs/dbraw/zinc/50/02/57/551500257.db2.gz	VIWCWQASGSEGAX-QAPCUYQASA-N	1	0	368.481	1.926	20	30		FDEDRO
Cc1cc(C#N)cc(NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)n1	ZINC000585706880	551585074	/nfs/dbraw/zinc/58/50/74/551585074.db2.gz	XYDQSDXSWYNFSK-LJQANCHMSA-N	1	0	363.465	2.571	20	30		FDEDRO
CCNC(=O)C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1	ZINC000585754776	551593453	/nfs/dbraw/zinc/59/34/53/551593453.db2.gz	JUPIIFJMVWVTCR-ROUUACIJSA-N	1	0	359.470	1.873	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1	ZINC000585777646	551598311	/nfs/dbraw/zinc/59/83/11/551598311.db2.gz	MBVYJJKFEYXPIW-PMPSAXMXSA-N	1	0	356.470	1.972	20	30		FDEDRO
C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCc1ccc(C#N)cc1F	ZINC000585777726	551598496	/nfs/dbraw/zinc/59/84/96/551598496.db2.gz	RLKLRVIOBOQCFN-ZNMIVQPWSA-N	1	0	374.460	1.796	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)C1	ZINC000586831611	551623503	/nfs/dbraw/zinc/62/35/03/551623503.db2.gz	VACKRSIZQDUGNU-DOTOQJQBSA-N	1	0	356.470	1.972	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)c(F)c1	ZINC000586863417	551627662	/nfs/dbraw/zinc/62/76/62/551627662.db2.gz	LXQUHBMPRYGRHI-UHFFFAOYSA-N	1	0	372.444	1.648	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1)C[NH+]1CCCCC1	ZINC000587673363	551633851	/nfs/dbraw/zinc/63/38/51/551633851.db2.gz	HUVKOCQANIZZJA-CVEARBPZSA-N	1	0	356.470	1.974	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1cccc(C#N)c1	ZINC000587730434	551635115	/nfs/dbraw/zinc/63/51/15/551635115.db2.gz	NCHDEEFXZSVLTN-QAPCUYQASA-N	1	0	354.454	1.822	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)c1cccc(C#N)c1	ZINC000587741702	551635610	/nfs/dbraw/zinc/63/56/10/551635610.db2.gz	XFDFXMCYGLPCTE-RDTXWAMCSA-N	1	0	354.454	1.869	20	30		FDEDRO
CC(=O)NCC[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000588215960	551659239	/nfs/dbraw/zinc/65/92/39/551659239.db2.gz	ZBCUCJANRKHCJH-RBUKOAKNSA-N	1	0	359.470	1.731	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2CC(N)=O)c(OC)c1	ZINC000588900175	551697884	/nfs/dbraw/zinc/69/78/84/551697884.db2.gz	KVBFTCDKXDYGTO-SJORKVTESA-N	1	0	362.470	1.893	20	30		FDEDRO
CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H]3CCN(c4ccc(C#N)cc4)C3=O)[C@@H]2C1	ZINC000589053726	551707247	/nfs/dbraw/zinc/70/72/47/551707247.db2.gz	ZKIWNKOHGDDIRV-OJAHFUOMSA-N	1	0	366.465	1.900	20	30		FDEDRO
C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cncc(C#N)c2)c2ccccc2O1	ZINC000589283057	551722764	/nfs/dbraw/zinc/72/27/64/551722764.db2.gz	YAUFKFJURQLRIM-CQSZACIVSA-N	1	0	358.423	1.471	20	30		FDEDRO
N#Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)n1	ZINC000589483918	551732872	/nfs/dbraw/zinc/73/28/72/551732872.db2.gz	PRWHFGQHEMRBJC-SJLPKXTDSA-N	1	0	350.422	1.566	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)[C@@H]2C1	ZINC000589930550	551752666	/nfs/dbraw/zinc/75/26/66/551752666.db2.gz	ZYQXOCVZNOLYQO-BXUZGUMPSA-N	1	0	359.373	1.902	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CC[C@H]2C[N@H+](C)C[C@@H]21	ZINC000590010745	551757210	/nfs/dbraw/zinc/75/72/10/551757210.db2.gz	UBMUTXOHCIVERD-WMZOPIPTSA-N	1	0	373.501	1.588	20	30		FDEDRO
C[NH+](C)CCn1cc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)cn1	ZINC000590201047	551764742	/nfs/dbraw/zinc/76/47/42/551764742.db2.gz	HZCLKIRXKLMUDA-UHFFFAOYSA-N	1	0	352.320	1.982	20	30		FDEDRO
CC(C)C[C@H](NC(=O)c1ccc(C#N)cn1)C(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000590398534	551779936	/nfs/dbraw/zinc/77/99/36/551779936.db2.gz	OJJBKJTURLQKOL-RDJZCZTQSA-N	1	0	357.458	1.260	20	30		FDEDRO
CC(C)C[C@H](NC(=O)c1cc(C#N)cs1)C(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000590399556	551780291	/nfs/dbraw/zinc/78/02/91/551780291.db2.gz	ZWCCEPGKWUGZRV-CABCVRRESA-N	1	0	362.499	1.927	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)NCC(=O)NCC[NH+]1CCCCCC1	ZINC000590470871	551786671	/nfs/dbraw/zinc/78/66/71/551786671.db2.gz	RUPYQDRERFUIJC-MRXNPFEDSA-N	1	0	372.469	1.434	20	30		FDEDRO
C[NH+](C)CCn1nccc1NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000590519187	551789001	/nfs/dbraw/zinc/78/90/01/551789001.db2.gz	IBVWZYYOZLAICQ-UHFFFAOYSA-N	1	0	364.413	1.337	20	30		FDEDRO
C[C@](CO)([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1cccc(O)c1	ZINC000590742166	551810135	/nfs/dbraw/zinc/81/01/35/551810135.db2.gz	JSPKLTFTGZRSDJ-UYAOXDASSA-N	1	0	356.422	1.695	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)c1	ZINC000590781296	551815768	/nfs/dbraw/zinc/81/57/68/551815768.db2.gz	PRZUPJZHXILYPU-GOSISDBHSA-N	1	0	370.453	1.519	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1	ZINC000590975287	551831431	/nfs/dbraw/zinc/83/14/31/551831431.db2.gz	ZPPOMZQAHYVIDX-UHFFFAOYSA-N	1	0	363.421	1.260	20	30		FDEDRO
N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H]3CCC[NH2+]C3)cn2)c1	ZINC000591290497	551857006	/nfs/dbraw/zinc/85/70/06/551857006.db2.gz	ZTYOUDCIIJQIFJ-AWEZNQCLSA-N	1	0	365.393	1.552	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c1	ZINC000591304758	551859576	/nfs/dbraw/zinc/85/95/76/551859576.db2.gz	NRAGGCHEAQYIMQ-AAEUAGOBSA-N	1	0	364.352	1.309	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1	ZINC000591359680	551865915	/nfs/dbraw/zinc/86/59/15/551865915.db2.gz	JJKZOWXSEAPGQY-LSDHHAIUSA-N	1	0	372.473	1.773	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NC[C@H]2CCC[NH2+]C2)CC1	ZINC000591359184	551865966	/nfs/dbraw/zinc/86/59/66/551865966.db2.gz	RLJPEDYSYKJWOD-ZDUSSCGKSA-N	1	0	358.446	1.255	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1)c1cccc(C#N)c1	ZINC000591404303	551868117	/nfs/dbraw/zinc/86/81/17/551868117.db2.gz	NGRROHVPJLBQQM-AWEZNQCLSA-N	1	0	354.454	1.726	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCC(=O)NC2CCCCC2)cc1	ZINC000591727665	551903946	/nfs/dbraw/zinc/90/39/46/551903946.db2.gz	OITFVYDMJYFGJV-UHFFFAOYSA-N	1	0	363.483	1.761	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]Cc2cc3c([nH]c2=O)CCC3)c1	ZINC000591739580	551905213	/nfs/dbraw/zinc/90/52/13/551905213.db2.gz	JONPRVZALVHCDZ-UHFFFAOYSA-N	1	0	357.435	1.711	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]Cc2cccc(N3CCOCC3)c2)cc1	ZINC000591768623	551907337	/nfs/dbraw/zinc/90/73/37/551907337.db2.gz	AZZXOBBCYBEHNP-HXUWFJFHSA-N	1	0	367.449	1.924	20	30		FDEDRO
CC[C@H](CNC(=O)N1CC[C@@](O)(CC#N)C1)[N@@H+]1CCc2ccccc2C1	ZINC000591913080	551916181	/nfs/dbraw/zinc/91/61/81/551916181.db2.gz	UGRNXYVTSWYAHE-QUCCMNQESA-N	1	0	356.470	1.883	20	30		FDEDRO
COC1CC[NH+](CCNS(=O)(=O)Cc2ccc(CC#N)cc2)CC1	ZINC000592037201	551930209	/nfs/dbraw/zinc/93/02/09/551930209.db2.gz	IBQFZLXYZMMXMK-UHFFFAOYSA-N	1	0	351.472	1.283	20	30		FDEDRO
N#CC[C@]1(O)CC[N@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1	ZINC000592148268	551949500	/nfs/dbraw/zinc/94/95/00/551949500.db2.gz	XDYFYALOYIETQT-IBGZPJMESA-N	1	0	360.433	1.215	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](C(=O)NCc2ccccc2)C1	ZINC000592155582	551951424	/nfs/dbraw/zinc/95/14/24/551951424.db2.gz	PQZXKPLGURDBMH-AEFFLSMTSA-N	1	0	356.470	1.633	20	30		FDEDRO
Cc1nn(-c2ccccc2)c(CN2C(=O)N[C@]3(CCC[NH2+]C3)C2=O)c1C#N	ZINC000592180463	551954383	/nfs/dbraw/zinc/95/43/83/551954383.db2.gz	SBDRRBJJOHMEAZ-IBGZPJMESA-N	1	0	364.409	1.226	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN(CCS(=O)(=O)c1ccc(C#N)cc1)CCO2	ZINC000592183758	551954738	/nfs/dbraw/zinc/95/47/38/551954738.db2.gz	WPVUIJSXNPBNTG-UHFFFAOYSA-N	1	0	363.483	1.129	20	30		FDEDRO
CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](CCOc2ccc(C#N)cc2OC)C1	ZINC000592186376	551955566	/nfs/dbraw/zinc/95/55/66/551955566.db2.gz	VTNCFTPQZRZTHC-INIZCTEOSA-N	1	0	371.359	1.946	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C(=O)NCCOC)CC2)CC1	ZINC000592303598	551975849	/nfs/dbraw/zinc/97/58/49/551975849.db2.gz	NCNPOHQTWQYCEH-UHFFFAOYSA-N	1	0	366.506	1.211	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1C(F)(F)F	ZINC000592381378	551986313	/nfs/dbraw/zinc/98/63/13/551986313.db2.gz	GMRXOPMWOICALN-QMTHXVAHSA-N	1	0	359.373	1.950	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H]1CCC[NH2+]CC1	ZINC000592387344	551987450	/nfs/dbraw/zinc/98/74/50/551987450.db2.gz	NDYNLWYWSVJAGJ-SNVBAGLBSA-N	1	0	358.261	1.741	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+])c1ccc(C#N)cc1	ZINC000592442840	551996237	/nfs/dbraw/zinc/99/62/37/551996237.db2.gz	USHMBZKESISIAE-LIRRHRJNSA-N	1	0	362.433	1.820	20	30		FDEDRO
COCCn1cc2c(n1)[C@H]([NH2+]C[C@@H]1CNc3c(C#N)cnn3C1)CCC2	ZINC000592506299	552003379	/nfs/dbraw/zinc/00/33/79/552003379.db2.gz	NHYCLAIIKQPGEI-CZUORRHYSA-N	1	0	355.446	1.307	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N2CCC[NH2+]C[C@@H]2C(=O)OC)c(OC)c1	ZINC000592549228	552007404	/nfs/dbraw/zinc/00/74/04/552007404.db2.gz	MWEUTRIIGPSKDR-OAHLLOKOSA-N	1	0	362.426	1.166	20	30		FDEDRO
C[C@@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1nncn1C	ZINC000593003779	552052474	/nfs/dbraw/zinc/05/24/74/552052474.db2.gz	PCRYTISCVRLPMH-CQSZACIVSA-N	1	0	367.457	1.712	20	30		FDEDRO
C=CCC[C@@H](O)C[NH+]1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1	ZINC000593045168	552055701	/nfs/dbraw/zinc/05/57/01/552055701.db2.gz	SZUQPTGITUZSFA-NVXWUHKLSA-N	1	0	366.502	1.968	20	30		FDEDRO
C[C@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C(=O)N(C)C	ZINC000593310076	552087224	/nfs/dbraw/zinc/08/72/24/552087224.db2.gz	LYDCXFKBFLQKDY-AWEZNQCLSA-N	1	0	357.458	1.299	20	30		FDEDRO
COCC[N@@H+]1CCN(C(=O)COc2ccc(C#N)cc2OC)C(C)(C)C1	ZINC000593337917	552091795	/nfs/dbraw/zinc/09/17/95/552091795.db2.gz	GIWQTJVXSGWIMS-UHFFFAOYSA-N	1	0	361.442	1.515	20	30		FDEDRO
COC[C@]1(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCOC1	ZINC000593348267	552093789	/nfs/dbraw/zinc/09/37/89/552093789.db2.gz	JZFWWHNPRNGOLS-HXUWFJFHSA-N	1	0	357.454	1.692	20	30		FDEDRO
CCCN1C[C@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1=O	ZINC000593349501	552093904	/nfs/dbraw/zinc/09/39/04/552093904.db2.gz	PVQDPSOSYOCQGX-GOSISDBHSA-N	1	0	368.481	1.897	20	30		FDEDRO
COc1cc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)nn1C	ZINC000593352356	552094779	/nfs/dbraw/zinc/09/47/79/552094779.db2.gz	YZIMRWNTABMJHT-UHFFFAOYSA-N	1	0	353.426	1.695	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)CN3CSCC3=O)CC2)c1	ZINC000593353675	552094847	/nfs/dbraw/zinc/09/48/47/552094847.db2.gz	UZOHFDGFOISGKY-UHFFFAOYSA-N	1	0	358.467	1.172	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCC[C@@]3(O)CCOC3)CC2)cc1	ZINC000593459571	552111880	/nfs/dbraw/zinc/11/18/80/552111880.db2.gz	WJDDIKAOZMQBCI-HXUWFJFHSA-N	1	0	372.469	1.317	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCC[N@@H+]1CCC[C@H](C)C1	ZINC000593532172	552124908	/nfs/dbraw/zinc/12/49/08/552124908.db2.gz	XVLVTSYYIJQHIX-ZDUSSCGKSA-N	1	0	365.455	1.355	20	30		FDEDRO
CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1C(=O)OC	ZINC000593580019	552142554	/nfs/dbraw/zinc/14/25/54/552142554.db2.gz	IJLCFHMZZSQQGJ-LBPRGKRZSA-N	1	0	353.444	1.353	20	30		FDEDRO
CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1C(=O)OC	ZINC000593599919	552148344	/nfs/dbraw/zinc/14/83/44/552148344.db2.gz	ZCTSPZDYNCKUEP-ZDUSSCGKSA-N	1	0	367.471	1.744	20	30		FDEDRO
CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2ccsc2C#N)CC1	ZINC000593603902	552149549	/nfs/dbraw/zinc/14/95/49/552149549.db2.gz	FKLSJTAJOCWMTR-UHFFFAOYSA-N	1	0	356.517	1.314	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21	ZINC000593611033	552151374	/nfs/dbraw/zinc/15/13/74/552151374.db2.gz	GZFJWHGHYCWEFW-DZGCQCFKSA-N	1	0	363.439	1.060	20	30		FDEDRO
N#Cc1cc(Br)ccc1CC(=O)NCC[N@@H+]1CCCOCC1	ZINC000593638947	552159349	/nfs/dbraw/zinc/15/93/49/552159349.db2.gz	LFHGABPGKXNEAY-UHFFFAOYSA-N	1	0	366.259	1.702	20	30		FDEDRO
N#CCCn1cc(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)c(-c2ccccc2)n1	ZINC000593679681	552172503	/nfs/dbraw/zinc/17/25/03/552172503.db2.gz	GWGBHEKSKYSIDU-LJQANCHMSA-N	1	0	351.454	1.715	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)NCCSCc2ccccc2C#N)C[C@H]1C[NH3+]	ZINC000593703143	552177808	/nfs/dbraw/zinc/17/78/08/552177808.db2.gz	XYYSNXUKFIQPDG-IAGOWNOFSA-N	1	0	362.499	1.797	20	30		FDEDRO
N#Cc1cccc(CS(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1	ZINC000593731811	552185868	/nfs/dbraw/zinc/18/58/68/552185868.db2.gz	FHKUKQHLXARYIA-RCCFBDPRSA-N	1	0	363.483	1.749	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1	ZINC000593766364	552194153	/nfs/dbraw/zinc/19/41/53/552194153.db2.gz	HMIPGYWZPHZPLM-YWZLYKJASA-N	1	0	370.453	1.895	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1	ZINC000593767696	552194506	/nfs/dbraw/zinc/19/45/06/552194506.db2.gz	RLSLODHHHAYGFP-XGWLTEMNSA-N	1	0	374.416	1.381	20	30		FDEDRO
CC(C)C[C@H](C(N)=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593885310	552217100	/nfs/dbraw/zinc/21/71/00/552217100.db2.gz	BAEPBXMYMNHJEX-GOSISDBHSA-N	1	0	356.470	1.786	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[C@@H](C(N)=O)C3)CC2)c1	ZINC000593886538	552217541	/nfs/dbraw/zinc/21/75/41/552217541.db2.gz	QHRDBJNSZRSMQU-QZTJIDSGSA-N	1	0	368.481	1.931	20	30		FDEDRO
C[C@@H](C#N)CSc1ccccc1NC(=O)CN1C[C@H](O)[C@@H]([NH+](C)C)C1	ZINC000593989649	552235472	/nfs/dbraw/zinc/23/54/72/552235472.db2.gz	WAAHZNSJYIVKLY-BPUTZDHNSA-N	1	0	362.499	1.484	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)nc1	ZINC000594284372	552277895	/nfs/dbraw/zinc/27/78/95/552277895.db2.gz	YNFYKVCTAISKDV-MSOLQXFVSA-N	1	0	368.485	1.802	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)nc1	ZINC000594284373	552278026	/nfs/dbraw/zinc/27/80/26/552278026.db2.gz	YNFYKVCTAISKDV-QZTJIDSGSA-N	1	0	368.485	1.802	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)ncc1C#N	ZINC000594288083	552278834	/nfs/dbraw/zinc/27/88/34/552278834.db2.gz	ICORQINGFMXLDE-CYBMUJFWSA-N	1	0	357.458	1.827	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000594323908	552287882	/nfs/dbraw/zinc/28/78/82/552287882.db2.gz	SSCUFVRVDUQKNC-APWZRJJASA-N	1	0	368.481	1.502	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1	ZINC000594362213	552295467	/nfs/dbraw/zinc/29/54/67/552295467.db2.gz	DOQHXNYQPOBXMV-HNAYVOBHSA-N	1	0	368.481	1.548	20	30		FDEDRO
CNS(=O)(=O)c1ccc([C@H](C)NC(=O)[C@H]([NH3+])CCCCC#N)cc1	ZINC000594431392	552308466	/nfs/dbraw/zinc/30/84/66/552308466.db2.gz	LODISYBUKKKRPP-SWLSCSKDSA-N	1	0	352.460	1.183	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1	ZINC000594428785	552308700	/nfs/dbraw/zinc/30/87/00/552308700.db2.gz	ORQWQMODEUUEDW-MRXNPFEDSA-N	1	0	364.471	1.725	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)Nc1cccc(N2CCCS2(=O)=O)c1	ZINC000594428084	552308868	/nfs/dbraw/zinc/30/88/68/552308868.db2.gz	LBVVUNPPPSHRCA-OAHLLOKOSA-N	1	0	350.444	1.576	20	30		FDEDRO
CCN1CCN(C(=O)c2ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc2)CC1	ZINC000594438032	552309664	/nfs/dbraw/zinc/30/96/64/552309664.db2.gz	MIAVYUMLDVXBQK-GOSISDBHSA-N	1	0	371.485	1.814	20	30		FDEDRO
COc1cc(CN2CC[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C2)cc(OC)c1	ZINC000594439543	552310165	/nfs/dbraw/zinc/31/01/65/552310165.db2.gz	RREBNJDNZVGORB-APWZRJJASA-N	1	0	374.485	1.806	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N1CCN(Cc2nccn2C(F)F)CC1	ZINC000594439731	552311310	/nfs/dbraw/zinc/31/13/10/552311310.db2.gz	YWIBNWWFLNEWAT-ZDUSSCGKSA-N	1	0	354.405	1.334	20	30		FDEDRO
N#CCCn1cc(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c(-c2ccncc2)n1	ZINC000594613738	552340530	/nfs/dbraw/zinc/34/05/30/552340530.db2.gz	SJTXVFGRZVZPRM-ZWKOTPCHSA-N	1	0	352.442	1.110	20	30		FDEDRO
Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCCOCC[NH+](C)C	ZINC000594771045	552378367	/nfs/dbraw/zinc/37/83/67/552378367.db2.gz	DWIZDMFXLKCIPV-UHFFFAOYSA-N	1	0	367.496	1.938	20	30		FDEDRO
C[NH+](C)CCNC(=O)Cn1cc(NCc2ccc(C3(C#N)CC3)cc2)cn1	ZINC000594936210	552424519	/nfs/dbraw/zinc/42/45/19/552424519.db2.gz	VPMOICVXBFDTFE-UHFFFAOYSA-N	1	0	366.469	1.728	20	30		FDEDRO
N#CC1(c2ccc(C[NH2+]CCS(=O)(=O)N3CCSCC3)cc2)CC1	ZINC000594927006	552424673	/nfs/dbraw/zinc/42/46/73/552424673.db2.gz	SVIWSYSSOQMIET-UHFFFAOYSA-N	1	0	365.524	1.710	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)NCC2CC[NH+](C3CCOCC3)CC2)c1	ZINC000595070439	552444489	/nfs/dbraw/zinc/44/44/89/552444489.db2.gz	WCIHJDJDEMCWOY-UHFFFAOYSA-N	1	0	370.453	1.504	20	30		FDEDRO
COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)c2cncc(C#N)c2)cc1	ZINC000595119536	552457199	/nfs/dbraw/zinc/45/71/99/552457199.db2.gz	FHWRPUMWXHOEBG-ROUUACIJSA-N	1	0	372.450	1.386	20	30		FDEDRO
C[C@@H](CCNC(=O)C(=O)Nc1cccc(C#N)c1Br)[NH+](C)C	ZINC000595126425	552459577	/nfs/dbraw/zinc/45/95/77/552459577.db2.gz	XGIFJAVMDNNAAC-JTQLQIEISA-N	1	0	367.247	1.716	20	30		FDEDRO
CCN(C(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1)[C@@H]1CC[N@H+](C)C1	ZINC000595195902	552486348	/nfs/dbraw/zinc/48/63/48/552486348.db2.gz	BETNZXNQYJMRLH-MRXNPFEDSA-N	1	0	369.469	1.018	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000595195981	552486421	/nfs/dbraw/zinc/48/64/21/552486421.db2.gz	CWINBEKWNMLFDN-MRXNPFEDSA-N	1	0	356.426	1.175	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CC[C@](C)(C#N)C2)ccc1OCC[NH+](C)C	ZINC000595213871	552493342	/nfs/dbraw/zinc/49/33/42/552493342.db2.gz	WVKWDILBETVSOI-LJQANCHMSA-N	1	0	374.441	1.336	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1	ZINC000595230376	552498991	/nfs/dbraw/zinc/49/89/91/552498991.db2.gz	YMDHJZQPYRXROT-MGPQQGTHSA-N	1	0	373.482	1.714	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)c1	ZINC000595230152	552499051	/nfs/dbraw/zinc/49/90/51/552499051.db2.gz	UBHVOGAJDABXAM-UHFFFAOYSA-N	1	0	354.454	1.929	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1	ZINC000595236608	552501599	/nfs/dbraw/zinc/50/15/99/552501599.db2.gz	RGBMQXLDSZIYBX-KRWDZBQOSA-N	1	0	358.442	1.374	20	30		FDEDRO
N#CCC1CCN(C(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC1	ZINC000595238989	552502412	/nfs/dbraw/zinc/50/24/12/552502412.db2.gz	KOIJSIWQFOWOLT-KRWDZBQOSA-N	1	0	356.426	1.438	20	30		FDEDRO
N#Cc1sccc1N1CCN(C(=O)C2([NH3+])Cc3ccccc3C2)CC1	ZINC000595257097	552506395	/nfs/dbraw/zinc/50/63/95/552506395.db2.gz	QCNZQUTUKLVGMI-UHFFFAOYSA-N	1	0	352.463	1.765	20	30		FDEDRO
C[C@H](CC[NH3+])NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595266106	552508144	/nfs/dbraw/zinc/50/81/44/552508144.db2.gz	ZNDHSFNECCNFLY-CQSZACIVSA-N	1	0	367.457	1.517	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCC23CC(C2)C[NH2+]3)CC1	ZINC000595274392	552509977	/nfs/dbraw/zinc/50/99/77/552509977.db2.gz	XANBUMSTWAHKFD-UHFFFAOYSA-N	1	0	356.430	1.007	20	30		FDEDRO
C[NH2+]C[C@@H](C)NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000595276189	552510330	/nfs/dbraw/zinc/51/03/30/552510330.db2.gz	VPRTXCKDRNIHPF-CYBMUJFWSA-N	1	0	355.446	1.166	20	30		FDEDRO
C[NH2+]C[C@H](C)NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000595276434	552510451	/nfs/dbraw/zinc/51/04/51/552510451.db2.gz	ZEVBXRRMZVSRPV-LBPRGKRZSA-N	1	0	358.402	1.246	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1	ZINC000595283491	552511893	/nfs/dbraw/zinc/51/18/93/552511893.db2.gz	JDQGJULOOFSTFB-CVEARBPZSA-N	1	0	369.531	1.157	20	30		FDEDRO
CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)CCc2ccc(C#N)cc2)C1	ZINC000595308889	552519071	/nfs/dbraw/zinc/51/90/71/552519071.db2.gz	NVXPBQWWDRLAEA-GOSISDBHSA-N	1	0	357.454	1.834	20	30		FDEDRO
C[NH+](C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)c1cccc(C#N)c1	ZINC000595404388	552551510	/nfs/dbraw/zinc/55/15/10/552551510.db2.gz	XNCBHJIVJNSZHB-INIZCTEOSA-N	1	0	363.483	1.822	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH+]1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000595552266	552582933	/nfs/dbraw/zinc/58/29/33/552582933.db2.gz	RWDSDVZKDGGCHG-UHFFFAOYSA-N	1	0	355.442	1.829	20	30		FDEDRO
Cc1oc(NC(=O)C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)c(C#N)c1C	ZINC000595595316	552590094	/nfs/dbraw/zinc/59/00/94/552590094.db2.gz	FZFHMNQQKIHNOY-KRWDZBQOSA-N	1	0	361.442	1.864	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@@H](Cn4ccnn4)C3)C2=O)cc1	ZINC000595605772	552591255	/nfs/dbraw/zinc/59/12/55/552591255.db2.gz	GAFLTNOJSFDPOY-SJLPKXTDSA-N	1	0	350.426	1.667	20	30		FDEDRO
C[C@H](NC(=O)CNC(=O)CN1CCC[C@H](CC#N)C1)c1ccc(F)cc1	ZINC000595621065	552593702	/nfs/dbraw/zinc/59/37/02/552593702.db2.gz	RZJQDMGHOLJFBI-LSDHHAIUSA-N	1	0	360.433	1.745	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000595706298	552604899	/nfs/dbraw/zinc/60/48/99/552604899.db2.gz	YKNHHEZZOVVQIY-HZPDHXFCSA-N	1	0	357.458	1.989	20	30		FDEDRO
Cn1ccc(C[NH+]2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cc1=O	ZINC000595726523	552607410	/nfs/dbraw/zinc/60/74/10/552607410.db2.gz	PEUWKKWCDXZENJ-UHFFFAOYSA-N	1	0	374.448	1.969	20	30		FDEDRO
C[C@]12COC[C@H]1C[N@H+](CC(=O)N1CCN([C@@H](C#N)c3cccs3)CC1)C2	ZINC000595759049	552612165	/nfs/dbraw/zinc/61/21/65/552612165.db2.gz	OTCYFCBZNRAQOB-GJYPPUQNSA-N	1	0	374.510	1.425	20	30		FDEDRO
C[C@@H](O)[C@H]1CCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000595766520	552612764	/nfs/dbraw/zinc/61/27/64/552612764.db2.gz	OMZANFDWTIHRMN-OAGGEKHMSA-N	1	0	362.499	1.302	20	30		FDEDRO
C[C@H](O)[C@H]1CCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000595766518	552613024	/nfs/dbraw/zinc/61/30/24/552613024.db2.gz	OMZANFDWTIHRMN-ARFHVFGLSA-N	1	0	362.499	1.302	20	30		FDEDRO
Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cn1	ZINC000595769718	552613202	/nfs/dbraw/zinc/61/32/02/552613202.db2.gz	KRICAOBZKXCIDX-IRXDYDNUSA-N	1	0	373.482	1.461	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)cc1	ZINC000595830076	552620963	/nfs/dbraw/zinc/62/09/63/552620963.db2.gz	TWDPELOUILSOBQ-ZWKOTPCHSA-N	1	0	357.454	1.437	20	30		FDEDRO
N#Cc1ccc(Cl)cc1NC(=O)CN1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC000595866878	552625788	/nfs/dbraw/zinc/62/57/88/552625788.db2.gz	MVKFACRXZVDOHA-INIZCTEOSA-N	1	0	362.861	1.681	20	30		FDEDRO
CCC[NH2+][C@H](C)C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595969678	552640309	/nfs/dbraw/zinc/64/03/09/552640309.db2.gz	HLJJXPLFQRSTOL-OAHLLOKOSA-N	1	0	366.469	1.985	20	30		FDEDRO
CCS(=O)(=O)C1(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000596064198	552651737	/nfs/dbraw/zinc/65/17/37/552651737.db2.gz	DBJMRCQHNVRMBQ-OAHLLOKOSA-N	1	0	352.456	1.049	20	30		FDEDRO
N#Cc1cc2cccnc2nc1NCC(=O)NCC[NH+]1CCCCCC1	ZINC000596239559	552667423	/nfs/dbraw/zinc/66/74/23/552667423.db2.gz	FMNQDGUUTHBVTG-UHFFFAOYSA-N	1	0	352.442	1.906	20	30		FDEDRO
CN(C)C(=O)CN(CC[NH+](C)C)c1cc(Br)c(C#N)cc1F	ZINC000596465009	552681541	/nfs/dbraw/zinc/68/15/41/552681541.db2.gz	ZQQKLFLNFDNSCC-UHFFFAOYSA-N	1	0	371.254	1.916	20	30		FDEDRO
C[C@H]1CN(C(=O)NCCc2ccc(C#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000596672137	552699737	/nfs/dbraw/zinc/69/97/37/552699737.db2.gz	LUOHGRISIWMRFE-PXNSSMCTSA-N	1	0	369.513	1.768	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCCc2ccc(C#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000596672140	552699853	/nfs/dbraw/zinc/69/98/53/552699853.db2.gz	LUOHGRISIWMRFE-YLJYHZDGSA-N	1	0	369.513	1.768	20	30		FDEDRO
Cc1cnc2nc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)nn2c1	ZINC000596827699	552715210	/nfs/dbraw/zinc/71/52/10/552715210.db2.gz	GNNDDEZOISBEHI-UHFFFAOYSA-N	1	0	363.425	1.508	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)C(=O)NCC2(C#N)CCCCC2)CCSC1	ZINC000597198113	552759609	/nfs/dbraw/zinc/75/96/09/552759609.db2.gz	GPBNVAPQPDKDRI-KRWDZBQOSA-N	1	0	352.504	1.130	20	30		FDEDRO
C[C@H](CC#N)N(C)c1nnc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1C[C@@H]1CCCO1	ZINC000597338247	552777013	/nfs/dbraw/zinc/77/70/13/552777013.db2.gz	NXXQNYUHXVZDOH-NCOADZHNSA-N	1	0	374.489	1.731	20	30		FDEDRO
C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC1(C#N)CCCCC1	ZINC000597398387	552784045	/nfs/dbraw/zinc/78/40/45/552784045.db2.gz	UXGFGBGTQFPVCF-MRXNPFEDSA-N	1	0	364.490	1.146	20	30		FDEDRO
N#C[C@H]1CC[C@@H](NC(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1	ZINC000597432694	552788621	/nfs/dbraw/zinc/78/86/21/552788621.db2.gz	GSNSVSMPIVBTAJ-ARFHVFGLSA-N	1	0	371.489	1.401	20	30		FDEDRO
N#CC1(NC(=O)c2cnc3n2CCOC3)CC[NH+](Cc2ccccc2)CC1	ZINC000597478989	552793994	/nfs/dbraw/zinc/79/39/94/552793994.db2.gz	XVTAEBRDRUBGDI-UHFFFAOYSA-N	1	0	365.437	1.701	20	30		FDEDRO
Cc1nc(SCC(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c(C#N)c(C)c1C	ZINC000597627300	552814388	/nfs/dbraw/zinc/81/43/88/552814388.db2.gz	YJGXGNCFOCCREG-INIZCTEOSA-N	1	0	373.526	1.477	20	30		FDEDRO
C[C@H](CC#N)C(=O)N(C)CCN(CC[NH+]1CCCC1)C(=O)[C@H](C)CC#N	ZINC000597648054	552817223	/nfs/dbraw/zinc/81/72/23/552817223.db2.gz	CYTHMECCIUITCB-IAGOWNOFSA-N	1	0	361.490	1.469	20	30		FDEDRO
CC(C)C[C@H](NC(=O)Cc1ccc(C#N)cc1)C(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000597692495	552822632	/nfs/dbraw/zinc/82/26/32/552822632.db2.gz	OICJTBUCUAJIAC-MOPGFXCFSA-N	1	0	370.497	1.794	20	30		FDEDRO
CC(C)C[C@H](NC(=O)c1cccc(C#N)n1)C(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000597693312	552822778	/nfs/dbraw/zinc/82/27/78/552822778.db2.gz	VRHUQTYEPRFJDX-WBVHZDCISA-N	1	0	357.458	1.260	20	30		FDEDRO
N#Cc1ccc(CCNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)cc1	ZINC000597893022	552844360	/nfs/dbraw/zinc/84/43/60/552844360.db2.gz	MBZCTZDWGAEAKJ-UHFFFAOYSA-N	1	0	363.465	1.824	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN(c2ccsc2C#N)CC1)[C@@H]1CCSC1	ZINC000597935751	552847934	/nfs/dbraw/zinc/84/79/34/552847934.db2.gz	FAFQRARYGFMNEJ-CYBMUJFWSA-N	1	0	350.513	1.706	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)cc1	ZINC000598511472	552904079	/nfs/dbraw/zinc/90/40/79/552904079.db2.gz	RCWAVZRMCRFEJI-LJQANCHMSA-N	1	0	362.433	1.679	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[NH+]1CCN(C[C@H](O)COc2ccccc2)CC1	ZINC000598588247	552911818	/nfs/dbraw/zinc/91/18/18/552911818.db2.gz	JKZLFLUMDMMEKH-ROUUACIJSA-N	1	0	361.486	1.345	20	30		FDEDRO
COc1ccc([C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)N2CCOCC2)cc1	ZINC000598703011	552926941	/nfs/dbraw/zinc/92/69/41/552926941.db2.gz	AXPFLURFSCDYGU-HKUYNNGSSA-N	1	0	361.486	1.959	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1cccc(OCCN2CCOCC2)c1	ZINC000598718370	552927967	/nfs/dbraw/zinc/92/79/67/552927967.db2.gz	ALDNNUCNTPWUST-GOSISDBHSA-N	1	0	361.486	1.788	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N2CCc3c(CC#N)cccc3C2)CCOCC1	ZINC000598992990	552955252	/nfs/dbraw/zinc/95/52/52/552955252.db2.gz	GZXNIPCXZBIOKU-UHFFFAOYSA-N	1	0	356.470	1.931	20	30		FDEDRO
COC(=O)CCNC(=O)CC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000599006780	552957389	/nfs/dbraw/zinc/95/73/89/552957389.db2.gz	IKHNMKBWNQBCRI-UHFFFAOYSA-N	1	0	369.425	1.118	20	30		FDEDRO
COc1cc(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)ccc1C#N	ZINC000599009004	552957699	/nfs/dbraw/zinc/95/76/99/552957699.db2.gz	XGEGIQFPNRIKTG-IBGZPJMESA-N	1	0	352.438	1.952	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1ccc(NC(=O)Cc2ccc(C#N)nc2)cc1	ZINC000599053734	552963052	/nfs/dbraw/zinc/96/30/52/552963052.db2.gz	HCGCLPSTXLWEFU-UHFFFAOYSA-N	1	0	351.410	1.426	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1C#N	ZINC000599103931	552968013	/nfs/dbraw/zinc/96/80/13/552968013.db2.gz	VLBGYLGVQGWGLR-AAEUAGOBSA-N	1	0	362.377	1.410	20	30		FDEDRO
CN(CCOCC[NH3+])S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000599109999	552969085	/nfs/dbraw/zinc/96/90/85/552969085.db2.gz	BMKNYAIFLORESH-UHFFFAOYSA-N	1	0	351.350	1.173	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H](CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000599157319	552976076	/nfs/dbraw/zinc/97/60/76/552976076.db2.gz	SJSMPFHIBRRRIH-IRXDYDNUSA-N	1	0	357.458	1.848	20	30		FDEDRO
C[N@@H+]1CCCC[C@H](CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1	ZINC000599161157	552977056	/nfs/dbraw/zinc/97/70/56/552977056.db2.gz	ULQSOUSGYBURHQ-QGZVFWFLSA-N	1	0	356.474	1.517	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCOCC1	ZINC000599265533	553008590	/nfs/dbraw/zinc/00/85/90/553008590.db2.gz	XNCLSDDTSNNRBE-GOSISDBHSA-N	1	0	374.441	1.788	20	30		FDEDRO
C[C@@]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)(C(N)=O)c1cccc(Cl)c1	ZINC000599330138	553029331	/nfs/dbraw/zinc/02/93/31/553029331.db2.gz	HONGUVGGAMMXGT-WBVHZDCISA-N	1	0	365.861	1.701	20	30		FDEDRO
COC(=O)C(C)(C)[C@@H]1CCC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000599345485	553032853	/nfs/dbraw/zinc/03/28/53/553032853.db2.gz	RNXVFDZEBMPADB-CVEARBPZSA-N	1	0	352.475	1.969	20	30		FDEDRO
C[C@@H]1C[C@]2(CCO1)C[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)C[C@H](C)O2	ZINC000599400808	553047007	/nfs/dbraw/zinc/04/70/07/553047007.db2.gz	YJRGMQUAGYZRBO-SFNKJDCFSA-N	1	0	352.475	1.716	20	30		FDEDRO
CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599428453	553054557	/nfs/dbraw/zinc/05/45/57/553054557.db2.gz	KFQAQTRHTWESNY-HOTGVXAUSA-N	1	0	358.504	1.347	20	30		FDEDRO
CC(C)(C)NC(=O)NC(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1	ZINC000599632681	553108375	/nfs/dbraw/zinc/10/83/75/553108375.db2.gz	KPNTZHXPTGQPJP-UHFFFAOYSA-N	1	0	358.442	1.778	20	30		FDEDRO
CC(C)(C)NC(=O)CNC(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1	ZINC000599634078	553109175	/nfs/dbraw/zinc/10/91/75/553109175.db2.gz	NTHZBQCPAQMFTB-UHFFFAOYSA-N	1	0	372.469	1.184	20	30		FDEDRO
CCC1(N2CCOCC2)CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1	ZINC000599663573	553116732	/nfs/dbraw/zinc/11/67/32/553116732.db2.gz	IPODYAHQVIRPSV-GOSISDBHSA-N	1	0	365.518	1.635	20	30		FDEDRO
CNS(=O)(=O)C[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1	ZINC000599695996	553124220	/nfs/dbraw/zinc/12/42/20/553124220.db2.gz	ZPMIOYIQIPWBOP-HNNXBMFYSA-N	1	0	364.471	1.148	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)NC[C@@]1(CO)COCC2(CCC2)N1C	ZINC000599728941	553132306	/nfs/dbraw/zinc/13/23/06/553132306.db2.gz	HJSHSPACYLTCCD-LJQANCHMSA-N	1	0	374.441	1.304	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)CCOCC[NH3+]	ZINC000599899726	553171017	/nfs/dbraw/zinc/17/10/17/553171017.db2.gz	HRTGERFNYWNYBH-CYBMUJFWSA-N	1	0	364.471	1.311	20	30		FDEDRO
N#Cc1ccsc1NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1	ZINC000599901037	553171720	/nfs/dbraw/zinc/17/17/20/553171720.db2.gz	XLVZOHNUMJKZKO-NXEZZACHSA-N	1	0	360.361	1.544	20	30		FDEDRO
C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCc3c(CC#N)cccc3C2)cc1	ZINC000599903883	553171918	/nfs/dbraw/zinc/17/19/18/553171918.db2.gz	QILJZQXUWFEMTM-UHFFFAOYSA-N	1	0	362.433	1.995	20	30		FDEDRO
C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[NH2+]1	ZINC000599919427	553174456	/nfs/dbraw/zinc/17/44/56/553174456.db2.gz	WGIIIFDODWSRLN-KBRIMQKVSA-N	1	0	355.442	1.099	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)c(F)cc1C#N	ZINC000599931800	553176234	/nfs/dbraw/zinc/17/62/34/553176234.db2.gz	HETUBKYDVCSDSZ-LBPRGKRZSA-N	1	0	362.405	1.493	20	30		FDEDRO
N#Cc1cccc(-n2ccc(C(=O)N3CC[C@@H]([N@@H+]4CC[C@H](O)C4)C3)n2)c1	ZINC000599939474	553179283	/nfs/dbraw/zinc/17/92/83/553179283.db2.gz	IWIXCASBDFAGFE-SJORKVTESA-N	1	0	351.410	1.025	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2	ZINC000599957795	553185598	/nfs/dbraw/zinc/18/55/98/553185598.db2.gz	FKYORPWFBFAGEX-QGZVFWFLSA-N	1	0	354.454	1.698	20	30		FDEDRO
C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C[NH2+]1	ZINC000599962394	553187165	/nfs/dbraw/zinc/18/71/65/553187165.db2.gz	OABJEWBKAQRNTK-ZBFHGGJFSA-N	1	0	370.453	1.185	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c(F)cc1C#N	ZINC000599973133	553189923	/nfs/dbraw/zinc/18/99/23/553189923.db2.gz	QEEIACNECOCQAP-IAQYHMDHSA-N	1	0	362.405	1.443	20	30		FDEDRO
C[NH+](C)[C@@H]1[C@H]2CN(C(=O)COc3ccc(C#N)c(Br)c3)C[C@H]21	ZINC000599991084	553195246	/nfs/dbraw/zinc/19/52/46/553195246.db2.gz	AFSAQQBWZGFHOD-VIKVFOODSA-N	1	0	364.243	1.718	20	30		FDEDRO
N#CCCCOc1cccc(C[NH+]2CCC(n3cc(C(N)=O)nn3)CC2)c1	ZINC000600191407	553228753	/nfs/dbraw/zinc/22/87/53/553228753.db2.gz	YMCQMQGULFEQQH-UHFFFAOYSA-N	1	0	368.441	1.897	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)c1	ZINC000600514660	553280003	/nfs/dbraw/zinc/28/00/03/553280003.db2.gz	JJKMQILQJJIDTO-QGZVFWFLSA-N	1	0	363.483	1.317	20	30		FDEDRO
COc1ccc(C(=O)NCC[NH2+]C[C@H](O)COc2ccccc2C#N)cc1	ZINC000600714564	553306038	/nfs/dbraw/zinc/30/60/38/553306038.db2.gz	AIBIPWPAQZUTHN-KRWDZBQOSA-N	1	0	369.421	1.326	20	30		FDEDRO
COc1cccc([C@H](C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)N(C)C)c1	ZINC000600715566	553306197	/nfs/dbraw/zinc/30/61/97/553306197.db2.gz	SSXRMNVOJMJXSB-MJGOQNOKSA-N	1	0	361.486	1.959	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)CCOCC1	ZINC000600715519	553306262	/nfs/dbraw/zinc/30/62/62/553306262.db2.gz	SRFLCOGUNBIUCY-UXHICEINSA-N	1	0	373.497	1.548	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccnc(N2CCOCC2)c1	ZINC000600717760	553306830	/nfs/dbraw/zinc/30/68/30/553306830.db2.gz	NIWKZZZHHWDSJX-SFHVURJKSA-N	1	0	368.437	1.319	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]CCN2CCN(C(=O)C3CCCCC3)CC2)CC1	ZINC000600728128	553307933	/nfs/dbraw/zinc/30/79/33/553307933.db2.gz	RZDICHOPPWDTBV-GOSISDBHSA-N	1	0	362.518	1.355	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)CC1	ZINC000600730933	553308414	/nfs/dbraw/zinc/30/84/14/553308414.db2.gz	JKMIBJVXNOQBBV-IPMKNSEASA-N	1	0	368.481	1.230	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21	ZINC000600740465	553309513	/nfs/dbraw/zinc/30/95/13/553309513.db2.gz	VKMRZJLGOCSWNY-CVEARBPZSA-N	1	0	372.446	1.459	20	30		FDEDRO
COc1ccc(CN2CC[C@H]([NH2+]C[C@H](O)CC3(C#N)CC3)C2=O)c(OC)c1	ZINC000600739795	553309654	/nfs/dbraw/zinc/30/96/54/553309654.db2.gz	FVWKFRKOYNHTOK-WBVHZDCISA-N	1	0	373.453	1.449	20	30		FDEDRO
Cc1cccc(OC[C@@H](O)C[NH2+]C[C@H](O)COc2ccccc2C#N)c1	ZINC000600744970	553310242	/nfs/dbraw/zinc/31/02/42/553310242.db2.gz	QJSGCTRNENSCDS-ROUUACIJSA-N	1	0	356.422	1.636	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)cc1	ZINC000600746030	553310257	/nfs/dbraw/zinc/31/02/57/553310257.db2.gz	KGGJOEIGHYXCPL-UKRRQHHQSA-N	1	0	354.332	1.888	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@H]([C@@H]2CCCO2)C2(CO)CCC2)CCOCC1	ZINC000600749828	553310949	/nfs/dbraw/zinc/31/09/49/553310949.db2.gz	RZPBJIUANVNWBI-YESZJQIVSA-N	1	0	352.475	1.358	20	30		FDEDRO
C[C@](O)(C[C@H](O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)C1CC1	ZINC000600846263	553321594	/nfs/dbraw/zinc/32/15/94/553321594.db2.gz	OTZPGBVWTIZSJB-SFTDATJTSA-N	1	0	357.498	1.978	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000601482375	553417138	/nfs/dbraw/zinc/41/71/38/553417138.db2.gz	UDZDZXLWICIAGS-FUHWJXTLSA-N	1	0	364.515	1.824	20	30		FDEDRO
CCC1([NH+](C)C)CCN(C(=O)C(=O)N(C)Cc2ccc(C#N)cc2)CC1	ZINC000601519763	553427006	/nfs/dbraw/zinc/42/70/06/553427006.db2.gz	MKGUVHOYLSGACM-UHFFFAOYSA-N	1	0	356.470	1.849	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1	ZINC000601522840	553428129	/nfs/dbraw/zinc/42/81/29/553428129.db2.gz	RKNMUQPWRZUQEP-UHFFFAOYSA-N	1	0	353.532	1.889	20	30		FDEDRO
C[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)n1cnc(C#N)n1	ZINC000601704641	553459776	/nfs/dbraw/zinc/45/97/76/553459776.db2.gz	IIEXUSITERGFNQ-HLLBOEOZSA-N	1	0	352.442	1.595	20	30		FDEDRO
CN1CCN(c2cc[nH+]c(NC(=O)CNc3ccc(C#N)cc3)c2)CC1	ZINC000601803369	553477420	/nfs/dbraw/zinc/47/74/20/553477420.db2.gz	GVSNWVNRJSBDOC-UHFFFAOYSA-N	1	0	350.426	1.756	20	30		FDEDRO
CCc1nn(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(=O)c(C#N)c1CC	ZINC000601955888	553496087	/nfs/dbraw/zinc/49/60/87/553496087.db2.gz	PXEQERDKUBXLCQ-NRFANRHFSA-N	1	0	366.465	1.877	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cc(F)cc(C#N)c2)C1	ZINC000602020803	553502355	/nfs/dbraw/zinc/50/23/55/553502355.db2.gz	VLCACRVNWAIVQB-MRXNPFEDSA-N	1	0	362.405	1.109	20	30		FDEDRO
CN(C(=O)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)[C@H]1CCC[C@H]1C#N	ZINC000602061539	553510899	/nfs/dbraw/zinc/51/08/99/553510899.db2.gz	GHVUXUJJULUAPH-BBRMVZONSA-N	1	0	358.446	1.239	20	30		FDEDRO
N#Cc1cc(F)cc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)c1	ZINC000602060648	553510999	/nfs/dbraw/zinc/51/09/99/553510999.db2.gz	DXGRUGRWYWRQKR-QGZVFWFLSA-N	1	0	374.416	1.349	20	30		FDEDRO
CN(C(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@H]1CCC[C@H]1C#N	ZINC000602073374	553513706	/nfs/dbraw/zinc/51/37/06/553513706.db2.gz	FYPJEHFOKJBSKT-YOEHRIQHSA-N	1	0	358.442	1.716	20	30		FDEDRO
CCC1([NH+](C)C)CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1	ZINC000602246575	553547875	/nfs/dbraw/zinc/54/78/75/553547875.db2.gz	QGCZXUXPEUYBTR-UHFFFAOYSA-N	1	0	360.433	1.646	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+]CCCN1C(=O)NC2(CCCC2)C1=O	ZINC000602502761	553594468	/nfs/dbraw/zinc/59/44/68/553594468.db2.gz	MNUIDOBAIZRDNK-OAHLLOKOSA-N	1	0	362.474	1.930	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O	ZINC000602544119	553603178	/nfs/dbraw/zinc/60/31/78/553603178.db2.gz	HSNNVYIUCONOEO-STQMWFEESA-N	1	0	352.797	1.722	20	30		FDEDRO
C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(CCN2CCOCC2)C1	ZINC000602545778	553604005	/nfs/dbraw/zinc/60/40/05/553604005.db2.gz	PUCLIMGTAGIZFI-ROUUACIJSA-N	1	0	350.507	1.081	20	30		FDEDRO
N#Cc1ccc(C2(NC(=O)COC3CCC([NH3+])CC3)CCOCC2)cc1	ZINC000602558713	553605510	/nfs/dbraw/zinc/60/55/10/553605510.db2.gz	NNGGHBFPOGXVCA-UHFFFAOYSA-N	1	0	357.454	1.967	20	30		FDEDRO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@]1(CO)COCC2(CCC2)N1C	ZINC000602720523	553627346	/nfs/dbraw/zinc/62/73/46/553627346.db2.gz	JTVBPJHHDKWQRW-QFBILLFUSA-N	1	0	351.491	1.291	20	30		FDEDRO
C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C[C@H](C)N1CC#N	ZINC000602847455	553650200	/nfs/dbraw/zinc/65/02/00/553650200.db2.gz	BYXKOJSUZIIESA-HLLBOEOZSA-N	1	0	372.469	1.229	20	30		FDEDRO
COC(=O)c1ccc(OC[C@H](O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)cc1	ZINC000602857794	553652641	/nfs/dbraw/zinc/65/26/41/553652641.db2.gz	VCKNHQVVNGODEK-BFYDXBDKSA-N	1	0	361.442	1.131	20	30		FDEDRO
CNC(=O)c1cc(O[C@@H]2CCCN(Cc3nc(C#N)cs3)C2)ccn1	ZINC000602864253	553654737	/nfs/dbraw/zinc/65/47/37/553654737.db2.gz	QCEPNJFMEVEOFO-CQSZACIVSA-N	1	0	357.439	1.813	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1	ZINC000602886891	553660111	/nfs/dbraw/zinc/66/01/11/553660111.db2.gz	KFHDZFLZDGFCPR-DZGCQCFKSA-N	1	0	353.426	1.819	20	30		FDEDRO
CN(C)C(=O)c1ccc(OC2CC[NH+](C[C@H](O)CC(C)(C)C#N)CC2)nc1	ZINC000602891117	553661624	/nfs/dbraw/zinc/66/16/24/553661624.db2.gz	VXKIAMOVJKFDQX-MRXNPFEDSA-N	1	0	374.485	1.927	20	30		FDEDRO
Cc1sc(NC(=O)CN2CCC[C@](O)(C[NH+](C)C)C2)c(C#N)c1C	ZINC000602893833	553663185	/nfs/dbraw/zinc/66/31/85/553663185.db2.gz	WIFJKIQSLANNIF-KRWDZBQOSA-N	1	0	350.488	1.564	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C[NH2+][C@H]([C@H]2CCCO2)C2(CO)CCC2)cc1	ZINC000602893327	553663252	/nfs/dbraw/zinc/66/32/52/553663252.db2.gz	UTRDCKFULRSGPM-IEBWSBKVSA-N	1	0	357.454	1.474	20	30		FDEDRO
N#Cc1ccccc1NC1CC[NH+](C[C@@H](O)COC2CCOCC2)CC1	ZINC000602895450	553663759	/nfs/dbraw/zinc/66/37/59/553663759.db2.gz	NVNDOKMPDCAGSK-GOSISDBHSA-N	1	0	359.470	1.991	20	30		FDEDRO
C[C@@]1(CO)C[C@@H](O)C[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000602906832	553665772	/nfs/dbraw/zinc/66/57/72/553665772.db2.gz	LFAFANXTFPHXHP-XIKOKIGWSA-N	1	0	363.483	1.645	20	30		FDEDRO
COC[C@@](C)(CO)[NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1	ZINC000602933715	553673222	/nfs/dbraw/zinc/67/32/22/553673222.db2.gz	XXLJOZYIIRDDBU-QGZVFWFLSA-N	1	0	353.850	1.882	20	30		FDEDRO
C[C@@]12C[NH+](Cc3cc(C#N)ccc3Br)C[C@@]1(C)C(=O)NC2=O	ZINC000602934375	553673316	/nfs/dbraw/zinc/67/33/16/553673316.db2.gz	GZRUNANHJQEXMK-HOTGVXAUSA-N	1	0	362.227	1.805	20	30		FDEDRO
Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CCOc2ccc(C#N)cc2)cn1	ZINC000602943829	553676001	/nfs/dbraw/zinc/67/60/01/553676001.db2.gz	RQNKUZKLLGBLHH-KRWDZBQOSA-N	1	0	353.426	1.565	20	30		FDEDRO
CN(C(=O)C[NH+]1CCC(CCO)(CCO)CC1)C1(C#N)CCCCC1	ZINC000602966614	553682244	/nfs/dbraw/zinc/68/22/44/553682244.db2.gz	LTGDDTRXVJVCLB-UHFFFAOYSA-N	1	0	351.491	1.518	20	30		FDEDRO
CCC1([NH+](C)C)CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1	ZINC000602966657	553682353	/nfs/dbraw/zinc/68/23/53/553682353.db2.gz	NBTUSLVKSOOEJZ-UHFFFAOYSA-N	1	0	350.488	1.533	20	30		FDEDRO
CN(CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1CCC[C@@H]1C#N	ZINC000602974011	553684507	/nfs/dbraw/zinc/68/45/07/553684507.db2.gz	IUYKLSXGPOGXGJ-MSOLQXFVSA-N	1	0	362.518	1.762	20	30		FDEDRO
C[C@@H]1CN(C(=O)N=c2ccn(C3CC[NH+](C)CC3)[nH]2)C[C@H](C)N1CC#N	ZINC000602995589	553688105	/nfs/dbraw/zinc/68/81/05/553688105.db2.gz	GBPDYOIFXJMQNG-GASCZTMLSA-N	1	0	359.478	1.600	20	30		FDEDRO
C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCN(C(=O)CC#N)CC3)ccc21	ZINC000603028695	553697411	/nfs/dbraw/zinc/69/74/11/553697411.db2.gz	FDOBCODIDCQLJR-QGZVFWFLSA-N	1	0	355.442	1.825	20	30		FDEDRO
C[NH+](C)Cc1ccnc(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1	ZINC000603149576	553716334	/nfs/dbraw/zinc/71/63/34/553716334.db2.gz	WLDYEOTYVDGWGU-UHFFFAOYSA-N	1	0	365.441	1.764	20	30		FDEDRO
COCC[NH2+]Cc1ccn(Cc2cn(Cc3ccc(C#N)cc3)nn2)n1	ZINC000603160421	553718221	/nfs/dbraw/zinc/71/82/21/553718221.db2.gz	IJAIKDJHJFPLBB-UHFFFAOYSA-N	1	0	351.414	1.179	20	30		FDEDRO
CC[NH2+]Cc1cn(CC(=O)N(CCC#N)c2ccc(OCC)cc2)nn1	ZINC000603176332	553722787	/nfs/dbraw/zinc/72/27/87/553722787.db2.gz	ZOVLBLREVVFICC-UHFFFAOYSA-N	1	0	356.430	1.733	20	30		FDEDRO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)n1cc(CN2CC[NH2+]CC2)nn1	ZINC000603194215	553729150	/nfs/dbraw/zinc/72/91/50/553729150.db2.gz	WKOCYHASZGREAO-KOHRHEQBSA-N	1	0	373.505	1.175	20	30		FDEDRO
COCC[NH2+]Cc1ccn(Cc2cn(Cc3ccc(C)c(C#N)c3)nn2)n1	ZINC000603224301	553736230	/nfs/dbraw/zinc/73/62/30/553736230.db2.gz	RAFJWPLBGROYSQ-UHFFFAOYSA-N	1	0	365.441	1.487	20	30		FDEDRO
Cc1ccccc1C[NH+]1CCC(NC(=O)Cn2cc(CCC#N)nn2)CC1	ZINC000603251439	553743240	/nfs/dbraw/zinc/74/32/40/553743240.db2.gz	KBBLWWGBIGASPW-UHFFFAOYSA-N	1	0	366.469	1.824	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)cc1	ZINC000603315796	553762946	/nfs/dbraw/zinc/76/29/46/553762946.db2.gz	BIQGWYNFLSJFPA-AWEZNQCLSA-N	1	0	365.499	1.611	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(CS(N)(=O)=O)c1	ZINC000603316930	553763387	/nfs/dbraw/zinc/76/33/87/553763387.db2.gz	DKDWVWJFGSZFID-DNVCBOLYSA-N	1	0	374.510	1.800	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)Cn2c(C(F)(F)F)ccc(C#N)c2=O)CC1	ZINC000603375738	553775146	/nfs/dbraw/zinc/77/51/46/553775146.db2.gz	MKNKEJAERBBBOR-UHFFFAOYSA-N	1	0	356.348	1.339	20	30		FDEDRO
N#Cc1ccc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)c(CS(N)(=O)=O)c1	ZINC000603411840	553781979	/nfs/dbraw/zinc/78/19/79/553781979.db2.gz	OHXXOXDEOZXINN-INIZCTEOSA-N	1	0	362.499	1.881	20	30		FDEDRO
N#Cc1ccc(CNC(=O)CN2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1	ZINC000604501263	553882190	/nfs/dbraw/zinc/88/21/90/553882190.db2.gz	SYXHULMBFKURQB-LJQANCHMSA-N	1	0	356.470	1.361	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC000609077569	554336080	/nfs/dbraw/zinc/33/60/80/554336080.db2.gz	FFOQKJZKWFFLRF-ZBFHGGJFSA-N	1	0	358.442	1.029	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CN1CCN(Cc2ccccc2)CC1	ZINC000609167333	554345692	/nfs/dbraw/zinc/34/56/92/554345692.db2.gz	RRFKGYHIIPALRF-UHFFFAOYSA-N	1	0	371.529	1.498	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1	ZINC000609311717	554363224	/nfs/dbraw/zinc/36/32/24/554363224.db2.gz	TYPSJFOMYCVQID-LPHOPBHVSA-N	1	0	358.486	1.714	20	30		FDEDRO
C[NH+](C)CCCOc1ccc(CNC(=O)NC2CCN(CC#N)CC2)cc1	ZINC000609338257	554368258	/nfs/dbraw/zinc/36/82/58/554368258.db2.gz	WHJYOIYLJCVCPI-UHFFFAOYSA-N	1	0	373.501	1.804	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCCOc2ccc(C(=O)OC)cc2)CC1	ZINC000609425610	554376476	/nfs/dbraw/zinc/37/64/76/554376476.db2.gz	LUPNTTUUBKHHAG-UHFFFAOYSA-N	1	0	361.442	1.802	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)cc1	ZINC000609553189	554392664	/nfs/dbraw/zinc/39/26/64/554392664.db2.gz	KPPLOKQNBUQZCS-GOSISDBHSA-N	1	0	354.454	1.509	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(CCC(=O)Nc3cccc(C#N)c3)CC2)C1	ZINC000609672689	554409905	/nfs/dbraw/zinc/40/99/05/554409905.db2.gz	KDKLUPXXIZPEDT-LJQANCHMSA-N	1	0	355.486	1.599	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C	ZINC000609721568	554415683	/nfs/dbraw/zinc/41/56/83/554415683.db2.gz	SIYLPTRAFFSIHF-MRXNPFEDSA-N	1	0	360.458	1.988	20	30		FDEDRO
COc1cc(C(=O)N(CCC#N)CCC[NH+](C)C)cc([N+](=O)[O-])c1OC	ZINC000610196077	554472251	/nfs/dbraw/zinc/47/22/51/554472251.db2.gz	JLTYZBOMNFTVEM-UHFFFAOYSA-N	1	0	364.402	1.920	20	30		FDEDRO
CCN(C(=O)[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1	ZINC000610345931	554494206	/nfs/dbraw/zinc/49/42/06/554494206.db2.gz	CWXXYUXIKSCJLW-KEYYUXOJSA-N	1	0	363.483	1.633	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cc1	ZINC000610371654	554496439	/nfs/dbraw/zinc/49/64/39/554496439.db2.gz	WPCBKMMRIVRLDF-UXHICEINSA-N	1	0	373.497	1.679	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000610375550	554497521	/nfs/dbraw/zinc/49/75/21/554497521.db2.gz	XJZWGFWPDXTGMK-GFCCVEGCSA-N	1	0	354.332	1.726	20	30		FDEDRO
C[NH+]1CCN(C(C)(C)CNC(=O)NCCOc2ccc(C#N)cc2)CC1	ZINC000610400705	554499958	/nfs/dbraw/zinc/49/99/58/554499958.db2.gz	WUDKUALIJNKSRK-UHFFFAOYSA-N	1	0	359.474	1.262	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000610405443	554501344	/nfs/dbraw/zinc/50/13/44/554501344.db2.gz	BBANRJUBNWIYSR-HNNXBMFYSA-N	1	0	372.473	1.740	20	30		FDEDRO
CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000610722128	554554177	/nfs/dbraw/zinc/55/41/77/554554177.db2.gz	KGOXKKAMZBHIHU-HOTGVXAUSA-N	1	0	371.489	1.443	20	30		FDEDRO
COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C2CCN(CC#N)CC2)c1	ZINC000610812595	554565510	/nfs/dbraw/zinc/56/55/10/554565510.db2.gz	CHHCXHCYLYIXOF-AWEZNQCLSA-N	1	0	360.458	1.998	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1	ZINC000610913138	554580052	/nfs/dbraw/zinc/58/00/52/554580052.db2.gz	BEEQTVSBCLOAPV-VQTJNVASSA-N	1	0	368.481	1.897	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C[C@H](O)COc1ccc(CC#N)cc1	ZINC000610995516	554591949	/nfs/dbraw/zinc/59/19/49/554591949.db2.gz	SEXCHINVRWYLRV-JYRKZWEQSA-N	1	0	373.497	1.676	20	30		FDEDRO
N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CC[C@@H]([NH+]3CCCCC3)C1)CC2	ZINC000611137593	554608836	/nfs/dbraw/zinc/60/88/36/554608836.db2.gz	VBYATCSJAYXQTC-QGZVFWFLSA-N	1	0	352.438	1.534	20	30		FDEDRO
N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CC[NH+](C3CCCCC3)CC1)CC2	ZINC000611138175	554609055	/nfs/dbraw/zinc/60/90/55/554609055.db2.gz	DMIDKAPVTXRWQX-UHFFFAOYSA-N	1	0	366.465	1.924	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC1	ZINC000611156985	554610528	/nfs/dbraw/zinc/61/05/28/554610528.db2.gz	NDJACCRNHNCOGL-HXUWFJFHSA-N	1	0	370.497	1.832	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cn1	ZINC000611190064	554613763	/nfs/dbraw/zinc/61/37/63/554613763.db2.gz	PIZWNNWOJFBCSR-MJGOQNOKSA-N	1	0	350.422	1.566	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1	ZINC000611210794	554615684	/nfs/dbraw/zinc/61/56/84/554615684.db2.gz	SBOWHZHINZCEKD-YQVWRLOYSA-N	1	0	357.454	1.483	20	30		FDEDRO
CCC[C@@H]1CN(C(=O)NC2CCN(CC#N)CC2)CC[N@@H+]1CCOC	ZINC000611233203	554617921	/nfs/dbraw/zinc/61/79/21/554617921.db2.gz	DAUZHWHNQZSGIQ-QGZVFWFLSA-N	1	0	351.495	1.117	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)c2cccc(C#N)c2)CC1	ZINC000611389467	554630635	/nfs/dbraw/zinc/63/06/35/554630635.db2.gz	WURMAOZQZVLSCL-QFBILLFUSA-N	1	0	353.470	1.901	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1	ZINC000612907529	554857138	/nfs/dbraw/zinc/85/71/38/554857138.db2.gz	FMEYMXHGKKRVDW-UXLLHSPISA-N	1	0	374.489	1.052	20	30		FDEDRO
C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1	ZINC000613051423	554876162	/nfs/dbraw/zinc/87/61/62/554876162.db2.gz	ZEZBOIYJBBEVFA-LJQANCHMSA-N	1	0	367.409	1.934	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1	ZINC000613307027	554911199	/nfs/dbraw/zinc/91/11/99/554911199.db2.gz	YNBZISUFCCIDPP-OAHLLOKOSA-N	1	0	356.426	1.592	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)CC3(C#N)CCCCC3)CC2)C1	ZINC000613922459	554985744	/nfs/dbraw/zinc/98/57/44/554985744.db2.gz	CPFPJUKUKNCAHM-KRWDZBQOSA-N	1	0	368.547	1.502	20	30		FDEDRO
Cn1cc(CN2CC[N@H+](CCO)C(C)(C)C2)c(-c2ccc(C#N)cc2)n1	ZINC000614920548	555136735	/nfs/dbraw/zinc/13/67/35/555136735.db2.gz	JZULELNBUADEIY-UHFFFAOYSA-N	1	0	353.470	1.847	20	30		FDEDRO
COc1ccc([C@@H](CNC(=O)N2CC[C@@](F)(C#N)C2)[NH+](C)C)cc1OC	ZINC000615578126	555215952	/nfs/dbraw/zinc/21/59/52/555215952.db2.gz	VYMJYFQQDGAHCE-RDTXWAMCSA-N	1	0	364.421	1.954	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C(N)=O)(c2ccccc2)CC1	ZINC000615782271	555240017	/nfs/dbraw/zinc/24/00/17/555240017.db2.gz	SBNFDKXPMNSCPA-HNNXBMFYSA-N	1	0	354.454	1.456	20	30		FDEDRO
CC[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)c1ccccc1OCC(=O)NC	ZINC000615794628	555241478	/nfs/dbraw/zinc/24/14/78/555241478.db2.gz	GJYNSSNBMYGALB-GOEBONIOSA-N	1	0	372.469	1.803	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)N2CCN(c3cc[nH+]cc3)CC2)c(F)c1	ZINC000616407452	555300200	/nfs/dbraw/zinc/30/02/00/555300200.db2.gz	SYLAMNOQMQXAPV-UHFFFAOYSA-N	1	0	360.414	1.744	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC[C@H]21	ZINC000616425591	555303168	/nfs/dbraw/zinc/30/31/68/555303168.db2.gz	XLZLCHDVDNPUBZ-WMLDXEAASA-N	1	0	351.447	1.943	20	30		FDEDRO
N#C[C@]1(F)CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1	ZINC000617530414	555462634	/nfs/dbraw/zinc/46/26/34/555462634.db2.gz	OKKDYTLMPKNJPB-IEBWSBKVSA-N	1	0	360.433	1.925	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)cc1	ZINC000618308078	555610140	/nfs/dbraw/zinc/61/01/40/555610140.db2.gz	MBANQPQTVKNQFK-GIVPXCGWSA-N	1	0	373.497	1.725	20	30		FDEDRO
C[NH+]1CCN(C(C)(C)CNC(=O)N[C@H]2CCc3cc(C#N)ccc32)CC1	ZINC000618797699	555678458	/nfs/dbraw/zinc/67/84/58/555678458.db2.gz	OOJJSSCESOHNHU-SFHVURJKSA-N	1	0	355.486	1.871	20	30		FDEDRO
COCCN(CCC#N)C(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C	ZINC000619076404	555721333	/nfs/dbraw/zinc/72/13/33/555721333.db2.gz	AZVNIHNJJURZDB-MRXNPFEDSA-N	1	0	374.441	1.399	20	30		FDEDRO
C[NH+](C)CCCOC1CCN(S(=O)(=O)c2cccc(CC#N)c2)CC1	ZINC000619489285	555787080	/nfs/dbraw/zinc/78/70/80/555787080.db2.gz	QRYZMVFLVDVOEU-UHFFFAOYSA-N	1	0	365.499	1.874	20	30		FDEDRO
C[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)n1cnc(C#N)n1	ZINC000619611449	555808683	/nfs/dbraw/zinc/80/86/83/555808683.db2.gz	YKSSSLNANYPAQV-RDJZCZTQSA-N	1	0	352.442	1.739	20	30		FDEDRO
C[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)n1cnc(C#N)n1	ZINC000619611447	555808739	/nfs/dbraw/zinc/80/87/39/555808739.db2.gz	YKSSSLNANYPAQV-DOTOQJQBSA-N	1	0	352.442	1.739	20	30		FDEDRO
C[C@@H](C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C)n1cnc(C#N)n1	ZINC000619613873	555809048	/nfs/dbraw/zinc/80/90/48/555809048.db2.gz	LLXBTKGXTTVPQM-HOTGVXAUSA-N	1	0	352.442	1.834	20	30		FDEDRO
C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1	ZINC000619683433	555821485	/nfs/dbraw/zinc/82/14/85/555821485.db2.gz	NVJKFFFTQLOIPU-LBPRGKRZSA-N	1	0	370.331	1.606	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000619708473	555823729	/nfs/dbraw/zinc/82/37/29/555823729.db2.gz	VARKGCLOXFFQBF-GOSISDBHSA-N	1	0	364.515	1.969	20	30		FDEDRO
COC1([C@H](C)[NH2+]CC#CCN2C(=O)c3ccccc3C2=O)CCOCC1	ZINC000625482766	556823528	/nfs/dbraw/zinc/82/35/28/556823528.db2.gz	KLVVUCZMEMZLPD-HNNXBMFYSA-N	1	0	356.422	1.460	20	30		FDEDRO
CN(CCOCC[NH3+])C(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1	ZINC000626895418	557219742	/nfs/dbraw/zinc/21/97/42/557219742.db2.gz	VPMSDMXJOWSLDL-UHFFFAOYSA-N	1	0	371.462	1.520	20	30		FDEDRO
C=C[C@H](CO)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1	ZINC000628148931	557599997	/nfs/dbraw/zinc/59/99/97/557599997.db2.gz	GCWMTOCNGRZYGA-HSALFYBXSA-N	1	0	351.450	1.960	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3CCCC[N@@H+](C)C3)cc2C1=O	ZINC000628740143	557678664	/nfs/dbraw/zinc/67/86/64/557678664.db2.gz	AZWHZMPCMPAUAZ-CQSZACIVSA-N	1	0	355.438	1.930	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)cc1	ZINC000633040489	558247563	/nfs/dbraw/zinc/24/75/63/558247563.db2.gz	XOTSGCVQXAJFFI-ZBFHGGJFSA-N	1	0	370.453	1.387	20	30		FDEDRO
CC[C@@H]1CN(C(=O)NCc2cn3c(n2)CCCC3)C[C@@H]1N1CCOCC1	ZINC000330273798	568072250	/nfs/dbraw/zinc/07/22/50/568072250.db2.gz	ZSRXUTOCFRDSCP-WBVHZDCISA-N	1	0	361.490	1.676	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@H](C)Oc1ccccc1-c1nn[nH]n1	ZINC000821181055	607322476	/nfs/dbraw/zinc/32/24/76/607322476.db2.gz	JGPGBIUSRWEIQC-CABCVRRESA-N	1	0	371.441	1.911	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1COC(=O)[C@@H](C)Oc1ccccc1-c1nn[nH]n1	ZINC000735374478	598295775	/nfs/dbraw/zinc/29/57/75/598295775.db2.gz	JHLYNJZQVWSLGQ-KGLIPLIRSA-N	1	0	355.398	1.275	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000735426244	598361834	/nfs/dbraw/zinc/36/18/34/598361834.db2.gz	MUXFFXAYSIPXJC-CYBMUJFWSA-N	1	0	356.430	1.401	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)NCC2(C)CC[NH+](C)CC2)c1	ZINC000272562284	674456496	/nfs/dbraw/zinc/45/64/96/674456496.db2.gz	NSZKCOLNGHDWHA-UHFFFAOYSA-N	1	0	363.483	1.060	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NC[C@]2(C)CCC[NH2+]C2)ccc1F	ZINC000272945838	674491319	/nfs/dbraw/zinc/49/13/19/674491319.db2.gz	CVKBLNSNBMOUSZ-QGZVFWFLSA-N	1	0	369.462	1.410	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1ccc(C#N)[nH]1	ZINC000825866000	607699563	/nfs/dbraw/zinc/69/95/63/607699563.db2.gz	OVXROFVFVKRVNI-UHFFFAOYSA-N	1	0	364.413	1.270	20	30		FDEDRO
C=CC[C@@H](CO)NC(=O)NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C	ZINC000273474924	674540914	/nfs/dbraw/zinc/54/09/14/674540914.db2.gz	RBEBQZZYOQJVJD-LSDHHAIUSA-N	1	0	351.447	1.543	20	30		FDEDRO
C=CC[N@H+](CC[C@@H]1CCS(=O)(=O)C1)Cc1cccc(-c2nn[nH]n2)c1	ZINC000823903998	608031546	/nfs/dbraw/zinc/03/15/46/608031546.db2.gz	QORAEVHSWKOYDU-CQSZACIVSA-N	1	0	361.471	1.680	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1	ZINC000824531704	608481403	/nfs/dbraw/zinc/48/14/03/608481403.db2.gz	QQNSXMHXBPYSIN-ZJNRKIDTSA-N	1	0	355.446	1.960	20	30		FDEDRO
C[C@@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1cccc(C#N)c1	ZINC000824568805	608489506	/nfs/dbraw/zinc/48/95/06/608489506.db2.gz	DBGIIFXMLXECBG-DYVFJYSZSA-N	1	0	364.409	1.829	20	30		FDEDRO
CCS(=O)(=O)c1cccc(CC(=O)N(CCC#N)CCC[NH+](C)C)c1	ZINC000274169426	674586109	/nfs/dbraw/zinc/58/61/09/674586109.db2.gz	NHTHMJCSZWJDBZ-UHFFFAOYSA-N	1	0	365.499	1.717	20	30		FDEDRO
[NH2+]=C(NC[C@H](CO)Cc1cccc(Br)c1)N1CCOCC1	ZINC000277537967	674963277	/nfs/dbraw/zinc/96/32/77/674963277.db2.gz	YDCLBMTYVLKPCU-CYBMUJFWSA-N	1	0	356.264	1.247	20	30		FDEDRO
N#Cc1c(NC(=O)CC[N@@H+]2CC[C@]3(CNC(=O)C3)C2)sc2c1CCC2	ZINC000278774740	675194429	/nfs/dbraw/zinc/19/44/29/675194429.db2.gz	CRJBXOKCHDLMPU-SFHVURJKSA-N	1	0	358.467	1.649	20	30		FDEDRO
C=C(Br)CNC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1	ZINC000069119101	671378119	/nfs/dbraw/zinc/37/81/19/671378119.db2.gz	WOCNEEXZFZEUPJ-UHFFFAOYSA-N	1	0	368.279	1.541	20	30		FDEDRO
C=C(Br)CNC(=[NH+]CC)N1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000073775730	671404326	/nfs/dbraw/zinc/40/43/26/671404326.db2.gz	LBWFZAWHNSUROC-ZDUSSCGKSA-N	1	0	373.295	1.184	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(S(=O)(=O)c2ccc(C#N)o2)CC1	ZINC000286744624	675903087	/nfs/dbraw/zinc/90/30/87/675903087.db2.gz	CXLGMQFBGACJOT-GASCZTMLSA-N	1	0	366.487	1.330	20	30		FDEDRO
CC[NH+]=C(NCC1(O)CCCCC1)N1CC[C@H](CN2CCOCC2)C1	ZINC000085171362	671480825	/nfs/dbraw/zinc/48/08/25/671480825.db2.gz	KTUWPPNWDUDBFI-QGZVFWFLSA-N	1	0	352.523	1.301	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@H](c1cccs1)N1CCCC1	ZINC000103911812	671593338	/nfs/dbraw/zinc/59/33/38/671593338.db2.gz	DOIHJMOFEMCNSS-MRXNPFEDSA-N	1	0	365.547	1.382	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)c1sccc1S(=O)(=O)N(C)C	ZINC000121296546	671702593	/nfs/dbraw/zinc/70/25/93/671702593.db2.gz	UUSKGLNVQRSSEK-ZDUSSCGKSA-N	1	0	372.512	1.889	20	30		FDEDRO
C[C@@H]1CCCN(C(=[NH2+])NCCNS(=O)(=O)c2ccc(Cl)s2)C1	ZINC000130678950	671796641	/nfs/dbraw/zinc/79/66/41/671796641.db2.gz	HCMFZDFFYMAAEM-SNVBAGLBSA-N	1	0	364.924	1.726	20	30		FDEDRO
CC(C)Oc1ccc(NC(=[NH2+])NC[C@H]2CCCN2S(C)(=O)=O)cc1	ZINC000133919252	671824316	/nfs/dbraw/zinc/82/43/16/671824316.db2.gz	NPPYUSLKYYIPMU-CQSZACIVSA-N	1	0	354.476	1.624	20	30		FDEDRO
Cc1cc(S(=O)(=O)NCCNC(=[NH2+])N2CCCCCC2)c(C)s1	ZINC000151408487	671864542	/nfs/dbraw/zinc/86/45/42/671864542.db2.gz	MSGKRGYNNSAADL-UHFFFAOYSA-N	1	0	358.533	1.834	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C[C@@H]2CCC[NH2+]2)cc1	ZINC000152221245	671878985	/nfs/dbraw/zinc/87/89/85/671878985.db2.gz	JMAWADFZPWJSGX-ZDHNHOGNSA-N	1	0	364.471	1.580	20	30		FDEDRO
C#CCSCCNC(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1	ZINC000153677449	671906238	/nfs/dbraw/zinc/90/62/38/671906238.db2.gz	ZPOXTPHNHWWNEL-UHFFFAOYSA-N	1	0	361.515	1.389	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CCCCC[NH3+])cc1	ZINC000154600256	671925490	/nfs/dbraw/zinc/92/54/90/671925490.db2.gz	IXCMYSBNHHYFCE-CAPFRKAQSA-N	1	0	366.487	1.957	20	30		FDEDRO
C[NH+]=C(NC[C@H](C)Oc1cccc(C)c1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158574163	671981102	/nfs/dbraw/zinc/98/11/02/671981102.db2.gz	AVVLXHODOMDQPA-HNNXBMFYSA-N	1	0	367.515	1.847	20	30		FDEDRO
C#CCSCCNC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1	ZINC000181336167	672193679	/nfs/dbraw/zinc/19/36/79/672193679.db2.gz	JTPMPJMDUCFCBL-UHFFFAOYSA-N	1	0	353.532	1.887	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N(C)CCC[NH+](C)C)ccc1F	ZINC000182032554	672206035	/nfs/dbraw/zinc/20/60/35/672206035.db2.gz	YBPYHCAJYOMGDF-UHFFFAOYSA-N	1	0	357.451	1.314	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@H](c1ccccc1)C(F)(F)F	ZINC000185953911	672265790	/nfs/dbraw/zinc/26/57/90/672265790.db2.gz	GIBRKJIHDCZTQC-OAHLLOKOSA-N	1	0	358.408	1.830	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NC(CC)(CC)C[NH3+])ccc1F	ZINC000236788676	672418893	/nfs/dbraw/zinc/41/88/93/672418893.db2.gz	OSHKOMMPYKMHRB-UHFFFAOYSA-N	1	0	357.451	1.537	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(C[NH2+]CC2CCN(S(C)(=O)=O)CC2)cc1	ZINC000237694577	672424170	/nfs/dbraw/zinc/42/41/70/672424170.db2.gz	QSHKGDFHCALTOW-AWEZNQCLSA-N	1	0	351.472	1.739	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NCC2([NH3+])CCCCCC2)c1	ZINC000237848557	672429302	/nfs/dbraw/zinc/42/93/02/672429302.db2.gz	RAUMIYKQVMXJMD-UHFFFAOYSA-N	1	0	365.499	1.932	20	30		FDEDRO
C[C@H](O)CC[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000245834377	672465213	/nfs/dbraw/zinc/46/52/13/672465213.db2.gz	ATOKCSSDLKAYJM-LSDHHAIUSA-N	1	0	350.488	1.160	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1	ZINC000249244691	672552878	/nfs/dbraw/zinc/55/28/78/672552878.db2.gz	TXGCLGTVKVHSNT-DLBZAZTESA-N	1	0	351.491	1.370	20	30		FDEDRO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@H](O)C[C@H]3CO)sc2C1	ZINC000249366267	672558481	/nfs/dbraw/zinc/55/84/81/672558481.db2.gz	VADLEBYJDTWVTF-FRRDWIJNSA-N	1	0	363.483	1.501	20	30		FDEDRO
CC[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N[C@@H](C)c1ccc(C)o1	ZINC000261699829	672654237	/nfs/dbraw/zinc/65/42/37/672654237.db2.gz	SXQTWHIOKXSXRW-AWEZNQCLSA-N	1	0	370.519	1.876	20	30		FDEDRO
CC[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N(C)Cc1ccc[nH]1	ZINC000261715816	672657649	/nfs/dbraw/zinc/65/76/49/672657649.db2.gz	WAQFEXYRIZQJPZ-UHFFFAOYSA-N	1	0	355.508	1.084	20	30		FDEDRO
C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N(C)CCc1cccs1	ZINC000261733218	672660717	/nfs/dbraw/zinc/66/07/17/672660717.db2.gz	JTMHLSVJUGVJRT-UHFFFAOYSA-N	1	0	372.560	1.469	20	30		FDEDRO
CC[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N1CC[C@@](C)(CC)C1	ZINC000261748757	672664517	/nfs/dbraw/zinc/66/45/17/672664517.db2.gz	LOFOCZPFQPTONY-QGZVFWFLSA-N	1	0	358.552	1.746	20	30		FDEDRO
CC[C@@]1(C)CCN(C(NCCNS(=O)(=O)c2ccccc2)=[NH+]C)C1	ZINC000261760254	672666788	/nfs/dbraw/zinc/66/67/88/672666788.db2.gz	MVMAFHXDHVINHC-KRWDZBQOSA-N	1	0	352.504	1.662	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1	ZINC000261768394	672668498	/nfs/dbraw/zinc/66/84/98/672668498.db2.gz	YUVMNHFSCBSSJR-JKSUJKDBSA-N	1	0	357.435	1.682	20	30		FDEDRO
CC[NH+]=C(NCCN1CCCS1(=O)=O)N1CCS[C@@H](C(C)C)C1	ZINC000261772268	672669525	/nfs/dbraw/zinc/66/95/25/672669525.db2.gz	OFHZELMWXVQGMK-CQSZACIVSA-N	1	0	362.565	1.061	20	30		FDEDRO
CC[NH+]=C(NCc1sccc1C)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261796000	672673371	/nfs/dbraw/zinc/67/33/71/672673371.db2.gz	RIHDYFTWAAXTRB-UHFFFAOYSA-N	1	0	360.487	1.604	20	30		FDEDRO
CC(C)NC(=[NH2+])NCC(=O)Nc1ccc(I)cc1	ZINC000261914222	672693313	/nfs/dbraw/zinc/69/33/13/672693313.db2.gz	ZAYZHLWKHMIMIA-UHFFFAOYSA-N	1	0	360.199	1.542	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N(C)Cc1cc(Cl)cn1C	ZINC000261936628	672697338	/nfs/dbraw/zinc/69/73/38/672697338.db2.gz	CPCSHOSNFAYUQK-LBPRGKRZSA-N	1	0	360.911	1.511	20	30		FDEDRO
CC[NH+]=C(NC[C@]1(O)CCSC1)N1CCN(c2cccs2)CC1	ZINC000261942658	672698929	/nfs/dbraw/zinc/69/89/29/672698929.db2.gz	DUZJBNBWBAGDFK-MRXNPFEDSA-N	1	0	354.545	1.704	20	30		FDEDRO
C[NH+]=C(NCCc1csc(N2CCCC2)n1)N1CC[C@@]2(CCOC2)C1	ZINC000261970638	672704886	/nfs/dbraw/zinc/70/48/86/672704886.db2.gz	MQWPEUASEAMCOY-GOSISDBHSA-N	1	0	363.531	1.974	20	30		FDEDRO
C[NH+]=C(NC[C@@H](C)Oc1cccc(F)c1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261982081	672706421	/nfs/dbraw/zinc/70/64/21/672706421.db2.gz	PDKOCTVDJVLUIR-CYBMUJFWSA-N	1	0	371.478	1.677	20	30		FDEDRO
[NH2+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000261997314	672708986	/nfs/dbraw/zinc/70/89/86/672708986.db2.gz	OGJZEBAJNJZTQH-ZDUSSCGKSA-N	1	0	370.906	1.211	20	30		FDEDRO
C[NH+]=C(NC[C@H](O)c1ccc(Cl)cc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261998628	672708990	/nfs/dbraw/zinc/70/89/90/672708990.db2.gz	SZGCBGODYZOVQE-AWEZNQCLSA-N	1	0	373.906	1.458	20	30		FDEDRO
CC[NH+]=C(NCc1nccn1C(F)F)N1CCS(=O)(=O)C(C)(C)C1	ZINC000262010129	672711386	/nfs/dbraw/zinc/71/13/86/672711386.db2.gz	WLIWBDIPWHMPTA-UHFFFAOYSA-N	1	0	363.434	1.253	20	30		FDEDRO
C[NH+]=C(NCc1ccc(S(=O)(=O)N(C)C)cc1)NC[C@@H]1CCCS1	ZINC000262019991	672713097	/nfs/dbraw/zinc/71/30/97/672713097.db2.gz	YOQUABDHNLNKKT-AWEZNQCLSA-N	1	0	370.544	1.498	20	30		FDEDRO
CC[C@H](C)[NH+]=C(NCC(=O)N(C)C)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2	ZINC000262260289	672756806	/nfs/dbraw/zinc/75/68/06/672756806.db2.gz	DOSFUOFVQQXNKA-DIECFANBSA-N	1	0	350.507	1.756	20	30		FDEDRO
CN(C)C(=O)CNC(NC[C@@H]1CCCO1)=[NH+][C@@H]1CC[C@@H]2CCC[C@H]2C1	ZINC000262303881	672765608	/nfs/dbraw/zinc/76/56/08/672765608.db2.gz	OHJMTTNVGBPREM-NXOAAHMSSA-N	1	0	350.507	1.758	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@H]([C@H]2CCOC2)C1	ZINC000262376346	672779159	/nfs/dbraw/zinc/77/91/59/672779159.db2.gz	JORGMPJLGXWKQQ-JYJNAYRXSA-N	1	0	357.520	1.134	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCOC2(CCCC2)C1	ZINC000262399428	672783060	/nfs/dbraw/zinc/78/30/60/672783060.db2.gz	NMBFDUKFECBLTO-GJZGRUSLSA-N	1	0	357.520	1.468	20	30		FDEDRO
CC[C@H](C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCS[C@@H](CC)C1	ZINC000262419218	672786475	/nfs/dbraw/zinc/78/64/75/672786475.db2.gz	QSBSTVLSCUEFLW-KKUMJFAQSA-N	1	0	361.577	1.993	20	30		FDEDRO
C=CCNC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+][C@@H]1CCOC2(CCCC2)C1	ZINC000262454861	672792624	/nfs/dbraw/zinc/79/26/24/672792624.db2.gz	WPSDYLIHLKWSRP-JKSUJKDBSA-N	1	0	369.531	1.634	20	30		FDEDRO
Cc1cc(C)cc(NC(=[NH2+])NCCS(=O)(=O)N2CCSCC2)c1	ZINC000262509236	672800980	/nfs/dbraw/zinc/80/09/80/672800980.db2.gz	CPOACIFDJLFYRE-UHFFFAOYSA-N	1	0	356.517	1.409	20	30		FDEDRO
[NH2+]=C(NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1)Nc1ccccn1	ZINC000262664806	672827864	/nfs/dbraw/zinc/82/78/64/672827864.db2.gz	OGBHQFHGWCVTPS-GFCCVEGCSA-N	1	0	365.484	1.581	20	30		FDEDRO
CCc1nc(CNC(=[NH+]C)N2CCN(Cc3cc(C)on3)CC2)cs1	ZINC000262784877	672849392	/nfs/dbraw/zinc/84/93/92/672849392.db2.gz	MDTXIWMBBBVGAA-UHFFFAOYSA-N	1	0	362.503	1.895	20	30		FDEDRO
C[C@H]1CCCN(C(=[NH2+])NCCN(C)S(=O)(=O)c2ccc(F)cc2)C1	ZINC000262820950	672851631	/nfs/dbraw/zinc/85/16/31/672851631.db2.gz	PRTICEODQMMAQF-ZDUSSCGKSA-N	1	0	356.467	1.493	20	30		FDEDRO
CC[NH+]=C(NC[C@H]1CCCN1S(C)(=O)=O)NC[C@]1(C)CCCS1	ZINC000262856930	672852326	/nfs/dbraw/zinc/85/23/26/672852326.db2.gz	YIYGVCOVNJAFRS-HIFRSBDPSA-N	1	0	362.565	1.251	20	30		FDEDRO
C[NH+]=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)NC1CCCCC1	ZINC000263043753	672859443	/nfs/dbraw/zinc/85/94/43/672859443.db2.gz	FBIKEGMRPNYZDV-UHFFFAOYSA-N	1	0	366.478	1.749	20	30		FDEDRO
CCCS(=O)(=O)NC1CC[NH+](Cc2ccc(OCC#N)cc2)CC1	ZINC000264129088	672901903	/nfs/dbraw/zinc/90/19/03/672901903.db2.gz	MEEMKOLHDPBMSJ-UHFFFAOYSA-N	1	0	351.472	1.883	20	30		FDEDRO
CC[NH+](CC)[C@@H](CNS(=O)(=O)N(C)C[C@@H](C)C#N)c1ccccc1	ZINC000282963317	675644275	/nfs/dbraw/zinc/64/42/75/675644275.db2.gz	WGEXMBHYNJLSGK-RDJZCZTQSA-N	1	0	352.504	1.995	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1	ZINC000284567342	675728717	/nfs/dbraw/zinc/72/87/17/675728717.db2.gz	UQGMUJGKAZITCJ-UHFFFAOYSA-N	1	0	362.499	1.198	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NC[C@H](C)N1CCc2sccc2C1	ZINC000284693240	675742884	/nfs/dbraw/zinc/74/28/84/675742884.db2.gz	HADVRHKVDXAHTQ-AWEZNQCLSA-N	1	0	365.499	1.320	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCCn2cc(Br)cn2)cc1	ZINC000285078219	675793604	/nfs/dbraw/zinc/79/36/04/675793604.db2.gz	NDRWBCQFZPVKAI-UHFFFAOYSA-N	1	0	366.263	1.801	20	30		FDEDRO
C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000293143815	676334789	/nfs/dbraw/zinc/33/47/89/676334789.db2.gz	RXKZYHRIIIGRTO-JTQLQIEISA-N	1	0	367.247	1.716	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CCCOc1ccc(S(C)(=O)=O)cc1	ZINC000294038160	676374158	/nfs/dbraw/zinc/37/41/58/676374158.db2.gz	SBUVQYKUBFERHY-UHFFFAOYSA-N	1	0	366.483	1.320	20	30		FDEDRO
Cc1nsc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c1C#N	ZINC000294243275	676379575	/nfs/dbraw/zinc/37/95/75/676379575.db2.gz	PIQVLNZTFASEHE-AWEZNQCLSA-N	1	0	350.492	1.717	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NC[C@H](c1cccs1)N1CCOCC1	ZINC000296203970	676415950	/nfs/dbraw/zinc/41/59/50/676415950.db2.gz	NPNFOFTZEYNLAL-MRXNPFEDSA-N	1	0	364.515	1.376	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCc1cccnc1OCC(F)(F)F	ZINC000296657594	676419775	/nfs/dbraw/zinc/41/97/75/676419775.db2.gz	UOCCXYNTSSJNBN-UHFFFAOYSA-N	1	0	358.364	1.777	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N[C@H](CO)c1ccc(Br)cc1	ZINC000296993366	676422544	/nfs/dbraw/zinc/42/25/44/676422544.db2.gz	STWCRPXQOYFEKW-OAHLLOKOSA-N	1	0	368.275	1.737	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)c1ccccc1NS(C)(=O)=O	ZINC000297208425	676425187	/nfs/dbraw/zinc/42/51/87/676425187.db2.gz	DICUWRCVLBMFME-CQSZACIVSA-N	1	0	366.487	1.373	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)OC)CC1	ZINC000298369292	676456341	/nfs/dbraw/zinc/45/63/41/676456341.db2.gz	UXVDSZUVYVKYSW-AEFFLSMTSA-N	1	0	350.459	1.477	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCCOC[C@@H]2CCCO2)CC1	ZINC000303789925	676543155	/nfs/dbraw/zinc/54/31/55/676543155.db2.gz	VWEQMDZCOBDIHW-HNNXBMFYSA-N	1	0	356.467	1.097	20	30		FDEDRO
[NH2+]=C(NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)N1CCCCC1	ZINC000303989410	676544119	/nfs/dbraw/zinc/54/41/19/676544119.db2.gz	XNOUGRXJQYMCAU-UHFFFAOYSA-N	1	0	363.893	1.789	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCCCOC[C@H]2CCOC2)cc1OC	ZINC000304764085	676544514	/nfs/dbraw/zinc/54/45/14/676544514.db2.gz	XOJRSJSDNPVLBK-OAHLLOKOSA-N	1	0	351.447	1.551	20	30		FDEDRO
N#CC1(CS(=O)(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)CC1	ZINC000416618441	679693744	/nfs/dbraw/zinc/69/37/44/679693744.db2.gz	UAKRYOBYNUEMKE-UHFFFAOYSA-N	1	0	363.483	1.237	20	30		FDEDRO
Cn1cc([C@@H]2CN(CC(=O)Nc3nc4c(s3)CCC4)C[C@H]2CO)cn1	ZINC000328598964	676599487	/nfs/dbraw/zinc/59/94/87/676599487.db2.gz	BOHBWUBJOUMHCU-STQMWFEESA-N	1	0	361.471	1.661	20	30		FDEDRO
O=C(NC1CC[NH+](CCN2CCCS2(=O)=O)CC1)c1ccccc1	ZINC000328598196	676599584	/nfs/dbraw/zinc/59/95/84/676599584.db2.gz	AYDMXIKIWRQXRX-UHFFFAOYSA-N	1	0	351.472	1.491	20	30		FDEDRO
NS(=O)(=O)[C@H]1CCN(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1	ZINC000328640875	676600441	/nfs/dbraw/zinc/60/04/41/676600441.db2.gz	FIUKSNBQYKZWDA-HNNXBMFYSA-N	1	0	372.535	1.310	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)C[N@@H+]1C1CC1	ZINC000328685804	676602149	/nfs/dbraw/zinc/60/21/49/676602149.db2.gz	FUNODYGBLNJTHF-WBTNSWJXSA-N	1	0	351.491	1.683	20	30		FDEDRO
C[C@H]1CN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC(=O)N1C	ZINC000328698852	676602976	/nfs/dbraw/zinc/60/29/76/676602976.db2.gz	HUMORUYPJFCLBV-AWEZNQCLSA-N	1	0	354.520	1.425	20	30		FDEDRO
C[C@H](NC(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O)C1=CC[N@H+](C)CC1	ZINC000328707342	676603293	/nfs/dbraw/zinc/60/32/93/676603293.db2.gz	PZPDJBCRQPCFKV-XIRDDKMYSA-N	1	0	351.491	1.708	20	30		FDEDRO
C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCC(C(=O)N2CCOCC2)CC1	ZINC000328741573	676604902	/nfs/dbraw/zinc/60/49/02/676604902.db2.gz	JBJASWIMFNKWLN-ZBFHGGJFSA-N	1	0	353.463	1.081	20	30		FDEDRO
C[C@@H]1CN(Cc2csc(NC(=O)N3CCC[N@H+](C)CC3)n2)C[C@H](C)O1	ZINC000328840978	676609107	/nfs/dbraw/zinc/60/91/07/676609107.db2.gz	OMVSAADTHMEFGA-OKILXGFUSA-N	1	0	367.519	1.935	20	30		FDEDRO
CC[N@@H+]1CCCN(C(=O)Nc2nc(CN3CCOCC3)cs2)CC1	ZINC000328841782	676609220	/nfs/dbraw/zinc/60/92/20/676609220.db2.gz	OXVRJVKPULEACV-UHFFFAOYSA-N	1	0	353.492	1.548	20	30		FDEDRO
CCNC(=O)CN1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1	ZINC000328885281	676610870	/nfs/dbraw/zinc/61/08/70/676610870.db2.gz	ZBOFQWMIFPQBKA-UHFFFAOYSA-N	1	0	351.495	1.369	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2C[C@H](OC)C[C@H]2c2nnc(C)[nH]2)CC1	ZINC000328939411	676612808	/nfs/dbraw/zinc/61/28/08/676612808.db2.gz	KJOUIQVSYYAXDC-CABCVRRESA-N	1	0	350.467	1.316	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1	ZINC000328984407	676614976	/nfs/dbraw/zinc/61/49/76/676614976.db2.gz	GCEVKLUBMIXQFR-LSDHHAIUSA-N	1	0	372.535	1.321	20	30		FDEDRO
Cc1noc([C@H]2CN(C(=O)NCC3([NH+](C)C)CCCC3)CCN2C)n1	ZINC000328993930	676615397	/nfs/dbraw/zinc/61/53/97/676615397.db2.gz	VYCPRUQVCFQKAF-CQSZACIVSA-N	1	0	350.467	1.455	20	30		FDEDRO
CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)N(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C1	ZINC000329082525	676619151	/nfs/dbraw/zinc/61/91/51/676619151.db2.gz	SETFYMNVLLOWJF-BARDWOONSA-N	1	0	350.467	1.662	20	30		FDEDRO
CCC(=O)N1CSC[C@H]1C(=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000329097989	676619872	/nfs/dbraw/zinc/61/98/72/676619872.db2.gz	LTCKXJNYGXMNCQ-AWEZNQCLSA-N	1	0	355.504	1.899	20	30		FDEDRO
O=C(N[C@@H]1CCCCNC1=O)N1CCC(CC[NH+]2CCOCC2)CC1	ZINC000329119777	676620983	/nfs/dbraw/zinc/62/09/83/676620983.db2.gz	PJKRYBHORACFJY-MRXNPFEDSA-N	1	0	352.479	1.844	20	30		FDEDRO
O=C(NCC1CC[NH+](C2CC2)CC1)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O	ZINC000329195364	676624483	/nfs/dbraw/zinc/62/44/83/676624483.db2.gz	SHPFVNZTHYEZNO-RCCFBDPRSA-N	1	0	351.491	1.637	20	30		FDEDRO
O=C(NC1CCN(Cc2ccccc2)CC1)N1CCCS(=O)(=O)CC1	ZINC000329212417	676625471	/nfs/dbraw/zinc/62/54/71/676625471.db2.gz	ZWHIGTLSGZYRQB-UHFFFAOYSA-N	1	0	365.499	1.686	20	30		FDEDRO
COCC(=O)N1CCC(NC(=O)[C@H]2COCCN2C2CCCC2)CC1	ZINC000329268117	676629708	/nfs/dbraw/zinc/62/97/08/676629708.db2.gz	GJZJYGDHRGYJSF-MRXNPFEDSA-N	1	0	353.463	1.224	20	30		FDEDRO
CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN(CC(F)(F)F)C(=O)C2)C1	ZINC000329267837	676629734	/nfs/dbraw/zinc/62/97/34/676629734.db2.gz	HWOAXAJOWBCJTL-VXGBXAGGSA-N	1	0	350.385	1.336	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCC[C@@H]1[C@H]1CCCO1	ZINC000329271306	676629963	/nfs/dbraw/zinc/62/99/63/676629963.db2.gz	IADYXIFRYLARMO-ZJPYXAASSA-N	1	0	351.491	1.922	20	30		FDEDRO
CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1nc(CN2CCOCC2)cs1	ZINC000329286122	676630956	/nfs/dbraw/zinc/63/09/56/676630956.db2.gz	GSVFSJWONCBRQP-AWEZNQCLSA-N	1	0	367.519	1.794	20	30		FDEDRO
CO[C@@H]1[C@H](C)[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1(C)C	ZINC000329375156	676636100	/nfs/dbraw/zinc/63/61/00/676636100.db2.gz	LGRHCQODMLTCPL-FMPTWSOUSA-N	1	0	353.507	1.927	20	30		FDEDRO
CC(C)(CNC(=O)N1CCOCC2(CCOCC2)C1)N1CCOCC1	ZINC000329568059	676644500	/nfs/dbraw/zinc/64/45/00/676644500.db2.gz	PHXXLGZQUZCJIB-UHFFFAOYSA-N	1	0	355.479	1.140	20	30		FDEDRO
CN(C)c1ncc(CNC(=O)N2CCOCC3(CCOCC3)C2)n1C	ZINC000329727303	676651998	/nfs/dbraw/zinc/65/19/98/676651998.db2.gz	FDZMWDLSAKLLCD-UHFFFAOYSA-N	1	0	351.451	1.029	20	30		FDEDRO
Cc1cc(NC(=O)[C@H](C)SCC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)no1	ZINC000329748058	676652625	/nfs/dbraw/zinc/65/26/25/676652625.db2.gz	ZUDQVHCHNDJPKY-WCFLWFBJSA-N	1	0	354.476	2.482	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1	ZINC000329811871	676658252	/nfs/dbraw/zinc/65/82/52/676658252.db2.gz	RTTKZUHHGUUXMD-SJKOYZFVSA-N	1	0	363.483	1.915	20	30		FDEDRO
CS(=O)(=O)N1CCC[C@@H](NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1	ZINC000329822688	676659443	/nfs/dbraw/zinc/65/94/43/676659443.db2.gz	HLOKALXXSFHMDW-OAHLLOKOSA-N	1	0	372.535	1.275	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)C1	ZINC000329828092	676659602	/nfs/dbraw/zinc/65/96/02/676659602.db2.gz	RSESZAXWLKJBCZ-BRWVUGGUSA-N	1	0	371.547	1.920	20	30		FDEDRO
CN(C)[C@H](CNC(=O)N[C@H]1CCCS(=O)(=O)C1)c1cccc(F)c1	ZINC000329855221	676660927	/nfs/dbraw/zinc/66/09/27/676660927.db2.gz	TWPBWLVXOLAGSG-LSDHHAIUSA-N	1	0	357.451	1.509	20	30		FDEDRO
C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCC[N@@H+]2CCCC(C)(C)C2)C1=O	ZINC000329973782	676666353	/nfs/dbraw/zinc/66/63/53/676666353.db2.gz	YWEPXAYWKIIKNV-SFHVURJKSA-N	1	0	350.463	1.990	20	30		FDEDRO
Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)C[NH+]2CCC(C)CC2)no1	ZINC000329992602	676668016	/nfs/dbraw/zinc/66/80/16/676668016.db2.gz	XRTMMFCMMVJNRZ-GJZGRUSLSA-N	1	0	353.442	1.979	20	30		FDEDRO
O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)N[C@H]1CC[S@@](=O)C1	ZINC000329997226	676668122	/nfs/dbraw/zinc/66/81/22/676668122.db2.gz	QDHVHODVQJLYIX-LMKMVOKYSA-N	1	0	365.499	1.168	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)C1	ZINC000330173281	676676606	/nfs/dbraw/zinc/67/66/06/676676606.db2.gz	HECMWVAHXWEGIV-HRCADAONSA-N	1	0	353.463	1.222	20	30		FDEDRO
CC(C)CN1CCN(C(=O)N[C@H](C)[C@H](C)N2CCOCC2)[C@H](C)C1=O	ZINC000330191868	676677711	/nfs/dbraw/zinc/67/77/11/676677711.db2.gz	NIZBCGNJYBGPEG-OWCLPIDISA-N	1	0	354.495	1.198	20	30		FDEDRO
C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1	ZINC000330243457	676680549	/nfs/dbraw/zinc/68/05/49/676680549.db2.gz	WVXWKQAOCXMDQK-RQJABVFESA-N	1	0	357.476	1.697	20	30		FDEDRO
CN(C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@@H]1CCCC[C@H]1O	ZINC000330275164	676682642	/nfs/dbraw/zinc/68/26/42/676682642.db2.gz	LCSVEBKWKBCTST-BRSBDYLESA-N	1	0	353.507	1.904	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CN2CCOCC2)C1	ZINC000330371614	676685995	/nfs/dbraw/zinc/68/59/95/676685995.db2.gz	ALOYOQKSRDUPMX-AOIWGVFYSA-N	1	0	350.507	1.474	20	30		FDEDRO
COC(=O)[C@]1(C)C[N@H+](CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@H]1C	ZINC000330375174	676686331	/nfs/dbraw/zinc/68/63/31/676686331.db2.gz	GFJBDSHTHVIDMJ-HNSFDTNUSA-N	1	0	353.463	1.726	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000330376651	676686688	/nfs/dbraw/zinc/68/66/88/676686688.db2.gz	PCTMIIDHQQCSMP-FUHWJXTLSA-N	1	0	364.515	1.967	20	30		FDEDRO
C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCC[C@@H](CN2CCOCC2)C1	ZINC000330384402	676687883	/nfs/dbraw/zinc/68/78/83/676687883.db2.gz	RFNLTYANJQAIJR-CABCVRRESA-N	1	0	354.495	1.248	20	30		FDEDRO
CCN(CC)S(=O)(=O)CCNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1	ZINC000330480884	676692949	/nfs/dbraw/zinc/69/29/49/676692949.db2.gz	SVKPJASRJQFCSN-INIZCTEOSA-N	1	0	374.551	1.236	20	30		FDEDRO
C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O	ZINC000330733579	676702469	/nfs/dbraw/zinc/70/24/69/676702469.db2.gz	KFJDQULJSFXQDJ-KFWWJZLASA-N	1	0	360.524	1.225	20	30		FDEDRO
COc1ncnc(N(C)C)c1NC(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1	ZINC000330806150	676704754	/nfs/dbraw/zinc/70/47/54/676704754.db2.gz	HGTKZAMPMNYYSM-MNOVXSKESA-N	1	0	354.480	1.074	20	30		FDEDRO
C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1	ZINC000330897400	676708589	/nfs/dbraw/zinc/70/85/89/676708589.db2.gz	UESMYIFDULFLNC-RYUDHWBXSA-N	1	0	357.451	1.940	20	30		FDEDRO
CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC	ZINC000330899468	676708900	/nfs/dbraw/zinc/70/89/00/676708900.db2.gz	JCDBRJOEFFFZOY-DGCLKSJQSA-N	1	0	355.460	1.391	20	30		FDEDRO
C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CC[C@H](CS(C)(=O)=O)C2)C1	ZINC000331095164	676716500	/nfs/dbraw/zinc/71/65/00/676716500.db2.gz	BBOPBOVDDHTUKA-XHSDSOJGSA-N	1	0	359.536	1.635	20	30		FDEDRO
CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)C1	ZINC000331137813	676718308	/nfs/dbraw/zinc/71/83/08/676718308.db2.gz	DFWRLJWEGCHPKP-BZUAXINKSA-N	1	0	359.536	1.920	20	30		FDEDRO
CSC[C@@H]1CCC[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1	ZINC000331165388	676719363	/nfs/dbraw/zinc/71/93/63/676719363.db2.gz	GRAUAMSALNFJCI-IAGOWNOFSA-N	1	0	352.548	1.754	20	30		FDEDRO
CCOC(=O)c1cnc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)n1C	ZINC000331245788	676723750	/nfs/dbraw/zinc/72/37/50/676723750.db2.gz	SJPWTBMTLAQGOE-QWHCGFSZSA-N	1	0	351.451	1.947	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)Nc2ccccc2C[S@@](C)=O)CC1(C)C	ZINC000331271923	676725095	/nfs/dbraw/zinc/72/50/95/676725095.db2.gz	NRBOXQHBPZWZBT-RUZDIDTESA-N	1	0	366.531	1.917	20	30		FDEDRO
CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H](S(N)(=O)=O)C2)C1	ZINC000331272934	676725108	/nfs/dbraw/zinc/72/51/08/676725108.db2.gz	CJDARRLVPSMAQE-ZIAGYGMSSA-N	1	0	360.524	1.164	20	30		FDEDRO
CN([C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1)S(=O)(=O)CCC#N	ZINC000331323006	676727269	/nfs/dbraw/zinc/72/72/69/676727269.db2.gz	LMXFHTRHFZLOQG-IRXDYDNUSA-N	1	0	356.536	1.499	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1	ZINC000332235140	676737579	/nfs/dbraw/zinc/73/75/79/676737579.db2.gz	QREUXQWXRCJJBQ-SJORKVTESA-N	1	0	364.515	1.919	20	30		FDEDRO
N#Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO	ZINC000360700927	676872737	/nfs/dbraw/zinc/87/27/37/676872737.db2.gz	VHEUVNKPDDDMDV-HZPDHXFCSA-N	1	0	367.446	1.307	20	30		FDEDRO
Cc1csc(NC(=O)[C@@H]2CCC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C2)n1	ZINC000361786881	676901573	/nfs/dbraw/zinc/90/15/73/676901573.db2.gz	YBIPCCOXWLIPRD-ZIAGYGMSSA-N	1	0	363.487	1.863	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2CCN([C@H]3CCSC3)CC2)ccc1F	ZINC000364137522	676994762	/nfs/dbraw/zinc/99/47/62/676994762.db2.gz	VWIGRVRIRSJMPE-ZDUSSCGKSA-N	1	0	355.460	1.509	20	30		FDEDRO
CN1C(=O)CSC12CC[NH+](C[C@@H](O)COc1ccc(C#N)cc1)CC2	ZINC000364295765	677005760	/nfs/dbraw/zinc/00/57/60/677005760.db2.gz	AHUCNFPPCLDNQL-OAHLLOKOSA-N	1	0	361.467	1.295	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CCC[NH2+]CC2)c1	ZINC000364648814	677039034	/nfs/dbraw/zinc/03/90/34/677039034.db2.gz	BEWGPWDMYUPJIQ-OAHLLOKOSA-N	1	0	351.472	1.365	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1	ZINC000366235645	677424801	/nfs/dbraw/zinc/42/48/01/677424801.db2.gz	KTECCMXBOXNAEY-HNNXBMFYSA-N	1	0	353.463	1.389	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1	ZINC000369529184	677505888	/nfs/dbraw/zinc/50/58/88/677505888.db2.gz	WQBDTQMTGJKWQM-WMZOPIPTSA-N	1	0	364.515	1.967	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[N@H+](CC(C)(C)O)CC1	ZINC000369889923	677525086	/nfs/dbraw/zinc/52/50/86/677525086.db2.gz	VGZWASUFRWWUEP-UHFFFAOYSA-N	1	0	351.472	1.334	20	30		FDEDRO
N#Cc1ccccc1OCCN1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1	ZINC000369906123	677526410	/nfs/dbraw/zinc/52/64/10/677526410.db2.gz	LQNGEWKVQUBPCE-QGZVFWFLSA-N	1	0	363.483	1.178	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)CC1	ZINC000370568381	677592666	/nfs/dbraw/zinc/59/26/66/677592666.db2.gz	IFYAROPYSFCLPC-ZWKOTPCHSA-N	1	0	350.507	1.579	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000371320972	677661239	/nfs/dbraw/zinc/66/12/39/677661239.db2.gz	LOGCELBICPWJTD-WBVHZDCISA-N	1	0	350.507	1.214	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1	ZINC000371734659	677768578	/nfs/dbraw/zinc/76/85/78/677768578.db2.gz	OROHMDKNPZHVHB-GDBMZVCRSA-N	1	0	355.504	1.246	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)[NH2+]C[C@]1(N2CCOCC2)CCCOC1	ZINC000372007321	677826789	/nfs/dbraw/zinc/82/67/89/677826789.db2.gz	UFTPRGZXZXMSTN-PKOBYXMFSA-N	1	0	351.491	1.047	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@]3(CCC[C@H]3[NH3+])C2)c1	ZINC000372789303	677976604	/nfs/dbraw/zinc/97/66/04/677976604.db2.gz	XFUVWOPKMKOWQK-AEFFLSMTSA-N	1	0	363.483	1.494	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(C#N)s1	ZINC000373020035	678009553	/nfs/dbraw/zinc/00/95/53/678009553.db2.gz	BBGAEIXDCFKCSN-MRVWCRGKSA-N	1	0	355.485	1.492	20	30		FDEDRO
C=CCN1CCC(NC(=O)N(C)[C@H]2CS(=O)(=O)c3ccccc32)CC1	ZINC000373585417	678065143	/nfs/dbraw/zinc/06/51/43/678065143.db2.gz	NPZXRFPHOBLTQJ-INIZCTEOSA-N	1	0	363.483	1.807	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1	ZINC000373934855	678069086	/nfs/dbraw/zinc/06/90/86/678069086.db2.gz	BNRTXMBMCJXIJM-HOTGVXAUSA-N	1	0	363.483	1.508	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CCCC[C@@H]1COC(=O)N1CCCC1	ZINC000375767481	678170219	/nfs/dbraw/zinc/17/02/19/678170219.db2.gz	FMYAPJUOXPNWGU-MRXNPFEDSA-N	1	0	350.463	1.835	20	30		FDEDRO
C#CCCCS(=O)(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000376327035	678275296	/nfs/dbraw/zinc/27/52/96/678275296.db2.gz	GGJWYBKYVNYVFS-UHFFFAOYSA-N	1	0	369.575	1.858	20	30		FDEDRO
C#CCCCS(=O)(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000376345941	678281563	/nfs/dbraw/zinc/28/15/63/678281563.db2.gz	DOHYCOHQMKBRAY-IRXDYDNUSA-N	1	0	356.532	1.941	20	30		FDEDRO
C#CCCCS(=O)(=O)NCCC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000376360043	678286817	/nfs/dbraw/zinc/28/68/17/678286817.db2.gz	QIQKRXNATJYMLM-UHFFFAOYSA-N	1	0	355.548	1.516	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000409493027	678851027	/nfs/dbraw/zinc/85/10/27/678851027.db2.gz	ZFTGSZAKDAOARJ-QGZVFWFLSA-N	1	0	350.488	1.673	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1	ZINC000409528236	678854039	/nfs/dbraw/zinc/85/40/39/678854039.db2.gz	JXVIUKYVRWVWME-QGZVFWFLSA-N	1	0	350.488	1.893	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000409542569	678857196	/nfs/dbraw/zinc/85/71/96/678857196.db2.gz	BFVQFEVCMCYOTE-UHFFFAOYSA-N	1	0	350.488	1.721	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1	ZINC000409596512	678866060	/nfs/dbraw/zinc/86/60/60/678866060.db2.gz	KODCZJZORJVDEI-UHFFFAOYSA-N	1	0	374.457	1.809	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)N(CC)C[C@H](C)C#N)[C@@H](C)C1	ZINC000410124236	678880044	/nfs/dbraw/zinc/88/00/44/678880044.db2.gz	WIIHMPISQGRQNL-IKGGRYGDSA-N	1	0	374.551	1.439	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@H](OCC[NH+](CC)CC)C1	ZINC000410148360	678885809	/nfs/dbraw/zinc/88/58/09/678885809.db2.gz	CRRPSHXHGAOFRL-CVEARBPZSA-N	1	0	360.524	1.145	20	30		FDEDRO
CCS(=O)(=O)Nc1ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc1OC	ZINC000424095999	680829454	/nfs/dbraw/zinc/82/94/54/680829454.db2.gz	YFNVDVCIKSTYRO-GFCCVEGCSA-N	1	0	354.432	1.416	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)CC(C)(C)C[NH3+])cc1	ZINC000414892381	679372771	/nfs/dbraw/zinc/37/27/71/679372771.db2.gz	JBJYWFBDXJXXTD-UHFFFAOYSA-N	1	0	368.503	1.942	20	30		FDEDRO
C[C@@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)[C@H](C)[NH3+]	ZINC000414914842	679373869	/nfs/dbraw/zinc/37/38/69/679373869.db2.gz	PNHYRWNXPUTIRE-VHSXEESVSA-N	1	0	362.484	2.559	20	30		FDEDRO
N#Cc1ccc(CSc2nnc(NC(=O)NCCCC[NH3+])s2)cc1	ZINC000414918524	679374128	/nfs/dbraw/zinc/37/41/28/679374128.db2.gz	YYDLFQABICWSMY-UHFFFAOYSA-N	1	0	362.484	2.562	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC(C[NH3+])CC2)cc1C(F)(F)F	ZINC000415295937	679404110	/nfs/dbraw/zinc/40/41/10/679404110.db2.gz	BQLRZLALPXQTCS-UHFFFAOYSA-N	1	0	354.332	1.713	20	30		FDEDRO
CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	ZINC000415436143	679430891	/nfs/dbraw/zinc/43/08/91/679430891.db2.gz	JHQOMKSXVWPSBD-CYBMUJFWSA-N	1	0	357.439	1.720	20	30		FDEDRO
C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000415537579	679446740	/nfs/dbraw/zinc/44/67/40/679446740.db2.gz	GZBMDPNEUBHOCC-VHSXEESVSA-N	1	0	365.231	1.455	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])cc1	ZINC000415599459	679462142	/nfs/dbraw/zinc/46/21/42/679462142.db2.gz	MNKZJJLCNALONS-UMVBOHGHSA-N	1	0	364.471	1.963	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1	ZINC000415645716	679470740	/nfs/dbraw/zinc/47/07/40/679470740.db2.gz	LTINKQUNDMPNMD-QWRGUYRKSA-N	1	0	352.341	1.484	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1C(F)(F)F	ZINC000415664436	679474727	/nfs/dbraw/zinc/47/47/27/679474727.db2.gz	ZIDDWDYHURCLCZ-GHMZBOCLSA-N	1	0	354.332	1.902	20	30		FDEDRO
C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	ZINC000415723986	679486442	/nfs/dbraw/zinc/48/64/42/679486442.db2.gz	JMTRXNAMRJYZPS-GWCFXTLKSA-N	1	0	355.423	1.568	20	30		FDEDRO
N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1	ZINC000415769249	679496384	/nfs/dbraw/zinc/49/63/84/679496384.db2.gz	WLIICILIWSGAJM-AWEZNQCLSA-N	1	0	360.845	1.998	20	30		FDEDRO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21	ZINC000415813332	679511936	/nfs/dbraw/zinc/51/19/36/679511936.db2.gz	FYGCSUVXQWNNBK-GUTXKFCHSA-N	1	0	358.467	1.840	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000416367890	679586773	/nfs/dbraw/zinc/58/67/73/679586773.db2.gz	GUEZLQXCDUQLHX-INIZCTEOSA-N	1	0	350.488	1.026	20	30		FDEDRO
C[N@H+](CCNS(=O)(=O)c1cc(Br)ccc1C#N)C1CC1	ZINC000416395973	679604002	/nfs/dbraw/zinc/60/40/02/679604002.db2.gz	YPFRANIKIVJMDK-UHFFFAOYSA-N	1	0	358.261	1.693	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1	ZINC000419159395	680203946	/nfs/dbraw/zinc/20/39/46/680203946.db2.gz	XMABWWPZPNFIIX-USXIJHARSA-N	1	0	351.491	1.592	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)NCCC[NH2+]C1CC1)c1ccc(F)c(F)c1	ZINC000419674489	680315947	/nfs/dbraw/zinc/31/59/47/680315947.db2.gz	IYUQPNDBXQHEJF-INIZCTEOSA-N	1	0	351.397	1.957	20	30		FDEDRO
C=C(C)[C@@H](NC(=O)C(=O)N1CCC(C[NH3+])CC1)c1ccc(F)c(F)c1	ZINC000419683502	680319674	/nfs/dbraw/zinc/31/96/74/680319674.db2.gz	VGVLQSJLPUMUKJ-MRXNPFEDSA-N	1	0	351.397	1.896	20	30		FDEDRO
N#Cc1nc(N2CCCC[C@@H]2CNC(=O)CC[NH3+])ccc1C(F)(F)F	ZINC000420247519	680422964	/nfs/dbraw/zinc/42/29/64/680422964.db2.gz	OTLGHDKIEVLLEM-LLVKDONJSA-N	1	0	355.364	1.796	20	30		FDEDRO
COCC(C)(C)[NH+]1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1	ZINC000425511998	680906747	/nfs/dbraw/zinc/90/67/47/680906747.db2.gz	XQHMJUJJCQOAAQ-HNNXBMFYSA-N	1	0	362.499	1.768	20	30		FDEDRO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCC[C@H]2CCO)CC1	ZINC000426195326	680951305	/nfs/dbraw/zinc/95/13/05/680951305.db2.gz	SMVPQLJHVGZJOT-HOTGVXAUSA-N	1	0	362.499	1.304	20	30		FDEDRO
C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCCS(N)(=O)=O	ZINC000427118359	680967360	/nfs/dbraw/zinc/96/73/60/680967360.db2.gz	WMWCKECCQCLGTC-UHFFFAOYSA-N	1	0	373.548	1.263	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C1(CO)CCC1	ZINC000429249045	681028198	/nfs/dbraw/zinc/02/81/98/681028198.db2.gz	YRRKWSLPDVTPGS-HNNXBMFYSA-N	1	0	362.499	1.304	20	30		FDEDRO
C=CC[N@@H+](C)CCN(CC)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000429703139	681044891	/nfs/dbraw/zinc/04/48/91/681044891.db2.gz	QAKIGBUCIDLHDU-AWEZNQCLSA-N	1	0	368.503	1.101	20	30		FDEDRO
C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccc(C#N)c(F)c1	ZINC000433039128	681171465	/nfs/dbraw/zinc/17/14/65/681171465.db2.gz	KIVMOLSKXGNNSU-UHFFFAOYSA-N	1	0	363.414	1.856	20	30		FDEDRO
C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000433881872	681217834	/nfs/dbraw/zinc/21/78/34/681217834.db2.gz	XAUNFUWVMLYWJU-JTQLQIEISA-N	1	0	360.277	1.939	20	30		FDEDRO
COC(=O)CC1([NH2+]Cc2cc(C#N)ccc2OC)CCS(=O)(=O)CC1	ZINC000439260391	681917967	/nfs/dbraw/zinc/91/79/67/681917967.db2.gz	PAJPUHQKVMCKKC-UHFFFAOYSA-N	1	0	366.439	1.167	20	30		FDEDRO
C[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)CN1CC[NH+](C)CC1	ZINC000440042499	681962990	/nfs/dbraw/zinc/96/29/90/681962990.db2.gz	ATIZEMJONYRQFD-AWEZNQCLSA-N	1	0	368.478	1.000	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])c1	ZINC000440424856	681998330	/nfs/dbraw/zinc/99/83/30/681998330.db2.gz	ZANDVYKVDAGAPR-BBRMVZONSA-N	1	0	351.472	1.350	20	30		FDEDRO
C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1	ZINC000442179445	682131975	/nfs/dbraw/zinc/13/19/75/682131975.db2.gz	CPJMGYDSYNQFLB-CQSZACIVSA-N	1	0	358.320	1.645	20	30		FDEDRO
CC[C@@H](CO)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC	ZINC000451152916	682829062	/nfs/dbraw/zinc/82/90/62/682829062.db2.gz	DEQBAIRYPFVNML-HNNXBMFYSA-N	1	0	350.463	1.654	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)CC(C)(C)CO	ZINC000451254460	682850894	/nfs/dbraw/zinc/85/08/94/682850894.db2.gz	OTGWXXJYUOGXPL-HNNXBMFYSA-N	1	0	364.515	1.407	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1	ZINC000451599584	682904704	/nfs/dbraw/zinc/90/47/04/682904704.db2.gz	OVSGDPBVGNQQCU-MSOLQXFVSA-N	1	0	363.889	1.917	20	30		FDEDRO
CN(CCN(C)S(=O)(=O)CC1(C#N)CCCCC1)C1CC[NH+](C)CC1	ZINC000475533635	685610305	/nfs/dbraw/zinc/61/03/05/685610305.db2.gz	ROVZCWNENACRAB-UHFFFAOYSA-N	1	0	370.563	1.748	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1	ZINC000452100069	683027161	/nfs/dbraw/zinc/02/71/61/683027161.db2.gz	YQFRVPXQHPQYSE-UHFFFAOYSA-N	1	0	370.441	1.815	20	30		FDEDRO
CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000453700920	683190122	/nfs/dbraw/zinc/19/01/22/683190122.db2.gz	BCPRHCNJWFRNRV-CHWSQXEVSA-N	1	0	361.833	1.630	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1	ZINC000462326671	684629343	/nfs/dbraw/zinc/62/93/43/684629343.db2.gz	SZMBUJKNRFIFOT-ZBFHGGJFSA-N	1	0	365.499	1.706	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1	ZINC000464197646	684727577	/nfs/dbraw/zinc/72/75/77/684727577.db2.gz	WQXSXNQKWQDFPL-INIZCTEOSA-N	1	0	363.483	1.919	20	30		FDEDRO
N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCCC(=O)NC(N)=O)CC1	ZINC000470998580	685101918	/nfs/dbraw/zinc/10/19/18/685101918.db2.gz	XFKPEMVXVXKICS-HNNXBMFYSA-N	1	0	363.849	1.497	20	30		FDEDRO
N#CC1(CS(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCC1	ZINC000477471849	685856603	/nfs/dbraw/zinc/85/66/03/685856603.db2.gz	ROPHJSQWNZMVTM-HZPDHXFCSA-N	1	0	355.504	1.368	20	30		FDEDRO
N#CC1(CS(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCC1	ZINC000477471846	685856781	/nfs/dbraw/zinc/85/67/81/685856781.db2.gz	ROPHJSQWNZMVTM-CVEARBPZSA-N	1	0	355.504	1.368	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)Cc2ccc(C#N)cc2F)C1	ZINC000480688306	686208876	/nfs/dbraw/zinc/20/88/76/686208876.db2.gz	HIFBSJQBBOPVQM-WMLDXEAASA-N	1	0	351.447	1.943	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)Cc2ccc(C#N)cc2F)C1	ZINC000480688304	686209190	/nfs/dbraw/zinc/20/91/90/686209190.db2.gz	HIFBSJQBBOPVQM-RHSMWYFYSA-N	1	0	351.447	1.943	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000481032081	686283723	/nfs/dbraw/zinc/28/37/23/686283723.db2.gz	CZCVPLHIYMDYFM-IYBDPMFKSA-N	1	0	353.507	1.520	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1	ZINC000487740100	686999491	/nfs/dbraw/zinc/99/94/91/686999491.db2.gz	DAIFNJRQWLKVMS-MRXNPFEDSA-N	1	0	351.491	1.418	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1	ZINC000487786779	687001931	/nfs/dbraw/zinc/00/19/31/687001931.db2.gz	ZSIWVMOJQDSNQK-HOTGVXAUSA-N	1	0	351.491	1.559	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(CC(C)C)C(=O)[C@H]2C)CC1	ZINC000488891519	687066087	/nfs/dbraw/zinc/06/60/87/687066087.db2.gz	BLJZZHNHWKYXDD-MRXNPFEDSA-N	1	0	350.507	1.925	20	30		FDEDRO
C=C[C@@H](C)[NH2+]C1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1	ZINC000493008766	687176275	/nfs/dbraw/zinc/17/62/75/687176275.db2.gz	LEAYTLBXFCCYQW-CYBMUJFWSA-N	1	0	351.472	1.962	20	30		FDEDRO
C=CCc1cc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)cc(OC)c1O	ZINC000500492948	688093147	/nfs/dbraw/zinc/09/31/47/688093147.db2.gz	CTYHKTFCGNVEIM-JKSUJKDBSA-N	1	0	368.499	1.937	20	30		FDEDRO
Cc1cccc(N2CC[NH+](CCCCNS(=O)(=O)[C@H](C)C#N)CC2)c1	ZINC000510790007	689422259	/nfs/dbraw/zinc/42/22/59/689422259.db2.gz	DAXSAOAOIDJDRH-QGZVFWFLSA-N	1	0	364.515	1.729	20	30		FDEDRO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+](CCO)CC2CC2)CC1	ZINC000510888657	689433552	/nfs/dbraw/zinc/43/35/52/689433552.db2.gz	CTUDKXGVMQQFQH-INIZCTEOSA-N	1	0	362.499	1.161	20	30		FDEDRO
COc1cc(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)ccc1C#N	ZINC000512854305	689643949	/nfs/dbraw/zinc/64/39/49/689643949.db2.gz	ADBGYHFHLWZNMD-HOTGVXAUSA-N	1	0	351.472	1.764	20	30		FDEDRO
N#Cc1ccc(Br)c(Cn2cnc3c(c2=O)CC[NH2+]CC3)c1	ZINC000517028983	690025253	/nfs/dbraw/zinc/02/52/53/690025253.db2.gz	UJHKYGHBAGDYKX-UHFFFAOYSA-N	1	0	359.227	1.614	20	30		FDEDRO
CC(C)NS(=O)(=O)c1ccc(C(=O)NC2(C#N)CC[NH+](C)CC2)cc1	ZINC000518025482	690113837	/nfs/dbraw/zinc/11/38/37/690113837.db2.gz	LTALOYXZRUHNDK-UHFFFAOYSA-N	1	0	364.471	1.091	20	30		FDEDRO
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@H](O)C[NH+](C)C	ZINC000518749130	690159863	/nfs/dbraw/zinc/15/98/63/690159863.db2.gz	PPSMTXNKRMLOHT-OLZOCXBDSA-N	1	0	364.471	1.058	20	30		FDEDRO
COCCNS(=O)(=O)c1ccc(C[NH2+]Cc2cc(C#N)cs2)cc1	ZINC000531356367	694831522	/nfs/dbraw/zinc/83/15/22/694831522.db2.gz	VTQZSZNYRBIELY-UHFFFAOYSA-N	1	0	365.480	1.834	20	30		FDEDRO
C=CC[N@@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)CC1CCCCC1	ZINC000639487100	695463649	/nfs/dbraw/zinc/46/36/49/695463649.db2.gz	GPOPHIBDUMESJQ-UHFFFAOYSA-N	1	0	371.547	1.595	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@H](C)n1cc(C[C@@H]([NH3+])COC)nn1	ZINC000640928930	695645518	/nfs/dbraw/zinc/64/55/18/695645518.db2.gz	ISVGDKQYCVLTIF-UONOGXRCSA-N	1	0	363.487	1.632	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1NC[C@H](C)C[NH+]1CCOCC1	ZINC000641386962	696082617	/nfs/dbraw/zinc/08/26/17/696082617.db2.gz	NVCGVHJPPWMPJY-HNNXBMFYSA-N	1	0	353.488	1.531	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1N1CC[NH+](C2CCOCC2)CC1	ZINC000641414882	696093850	/nfs/dbraw/zinc/09/38/50/696093850.db2.gz	KDMAUNGPBRSNCY-UHFFFAOYSA-N	1	0	365.499	1.452	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)OCC	ZINC000641668475	696193817	/nfs/dbraw/zinc/19/38/17/696193817.db2.gz	AHVNKBDUTKSVPN-ZWKOTPCHSA-N	1	0	353.507	1.271	20	30		FDEDRO
N#Cc1cc(C(F)(F)N2CC(=O)NC3(CC[NH2+]CC3)C2)cc(Cl)n1	ZINC001164390012	718809347	/nfs/dbraw/zinc/80/93/47/718809347.db2.gz	NNYYJRIQMAAHEF-UHFFFAOYSA-N	1	0	355.776	1.210	20	30		FDEDRO
N#C[C@H](c1ccc(N2CCN3CC[NH2+]C[C@H]3C2)nn1)c1ccccc1F	ZINC001164398661	718836095	/nfs/dbraw/zinc/83/60/95/718836095.db2.gz	IYLVHHFAHAMXII-HOCLYGCPSA-N	1	0	352.417	1.365	20	30		FDEDRO
N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCNC(=O)C12C[NH2+]C2	ZINC001164410748	718878124	/nfs/dbraw/zinc/87/81/24/718878124.db2.gz	GOCXOLIOZAXILZ-UHFFFAOYSA-N	1	0	362.167	1.083	20	30		FDEDRO
N#Cc1c(Cl)nccc1C(F)(F)N1CCCO[C@@]2(C[NH2+]CCOC2)C1	ZINC001164419408	718913768	/nfs/dbraw/zinc/91/37/68/718913768.db2.gz	ADIPNLDOZHKXPZ-HNNXBMFYSA-N	1	0	372.803	1.737	20	30		FDEDRO
N#Cc1ccc(Cl)nc1C(F)(F)N1CCCO[C@]2(C[NH2+]CCOC2)C1	ZINC001164425326	718914515	/nfs/dbraw/zinc/91/45/15/718914515.db2.gz	RSWBHHILQPGOQS-OAHLLOKOSA-N	1	0	372.803	1.737	20	30		FDEDRO
COC(=O)c1cc(C#N)cnc1-n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2	ZINC001164679461	719647881	/nfs/dbraw/zinc/64/78/81/719647881.db2.gz	BGAZFWKJCWPJQH-UHFFFAOYSA-N	1	0	368.441	1.411	20	30		FDEDRO
CCc1nc(C#N)c(C#N)nc1-n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2	ZINC001164680576	719649333	/nfs/dbraw/zinc/64/93/33/719649333.db2.gz	WONLBJLYCMQECA-UHFFFAOYSA-N	1	0	364.457	1.454	20	30		FDEDRO
COc1cc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)ncc1C#N	ZINC001164733698	720550247	/nfs/dbraw/zinc/55/02/47/720550247.db2.gz	PNIWQLFDTYHCIL-UHFFFAOYSA-N	1	0	352.442	1.817	20	30		FDEDRO
COc1nc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)ncc1C#N	ZINC001164734109	720556221	/nfs/dbraw/zinc/55/62/21/720556221.db2.gz	UVHOARRGDPXYAV-UHFFFAOYSA-N	1	0	353.430	1.212	20	30		FDEDRO
COc1nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)ncc1C#N	ZINC001164858650	720938223	/nfs/dbraw/zinc/93/82/23/720938223.db2.gz	JSSYZCJEEQYHEM-CYBMUJFWSA-N	1	0	355.446	1.975	20	30		FDEDRO
COc1ccnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1C#N	ZINC001164869107	721074925	/nfs/dbraw/zinc/07/49/25/721074925.db2.gz	RPRMSKQVDJRYCP-IRXDYDNUSA-N	1	0	365.437	1.837	20	30		FDEDRO
Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)cnc4C#N)C[C@@H]3C2)cn1	ZINC001164773607	721092572	/nfs/dbraw/zinc/09/25/72/721092572.db2.gz	XTZQOWJNLKQNDU-KBPBESRZSA-N	1	0	357.849	1.693	20	30		FDEDRO
Cc1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc(C#N)n1	ZINC001164865966	721099135	/nfs/dbraw/zinc/09/91/35/721099135.db2.gz	QNPTYFPXUGENKS-DLBZAZTESA-N	1	0	350.426	1.531	20	30		FDEDRO
CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncccc4C#N)C3)O2)CC1	ZINC001164894441	721384354	/nfs/dbraw/zinc/38/43/54/721384354.db2.gz	XYQWOHMHZICXFA-UYAOXDASSA-N	1	0	355.486	1.719	20	30		FDEDRO
CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncc(F)cc4C#N)C3)O2)CC1	ZINC001164884974	721391866	/nfs/dbraw/zinc/39/18/66/721391866.db2.gz	BIBOGFWHKIIDHY-ICSRJNTNSA-N	1	0	373.476	1.858	20	30		FDEDRO
CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nccc(F)c4C#N)C3)O2)CC1	ZINC001164891920	721419516	/nfs/dbraw/zinc/41/95/16/721419516.db2.gz	WQOIPRDLYRHYCL-JXFKEZNVSA-N	1	0	373.476	1.858	20	30		FDEDRO
Cc1cnc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c(C#N)n1	ZINC001164896211	721429543	/nfs/dbraw/zinc/42/95/43/721429543.db2.gz	REMCBKOFOZOTPA-FXAWDEMLSA-N	1	0	370.501	1.422	20	30		FDEDRO
Cc1nc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)ccc1CC#N	ZINC001164795167	721519896	/nfs/dbraw/zinc/51/98/96/721519896.db2.gz	KRRTVVKGUVPTHD-UHFFFAOYSA-N	1	0	365.485	1.420	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc(=O)n1C)C2	ZINC001112527802	805581985	/nfs/dbraw/zinc/58/19/85/805581985.db2.gz	XAHMFVFLROJEDL-JXFKEZNVSA-N	1	0	359.470	1.420	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21	ZINC001022717827	782571430	/nfs/dbraw/zinc/57/14/30/782571430.db2.gz	LURCQFILSWMIMA-JKIFEVAISA-N	1	0	355.442	1.044	20	30		FDEDRO
C=CCCn1cc(CNc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)nn1	ZINC000657407920	782672015	/nfs/dbraw/zinc/67/20/15/782672015.db2.gz	WRMOIWSFBSFLKZ-UHFFFAOYSA-N	1	0	356.430	1.936	20	30		FDEDRO
C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCN(C)[C@@H](C#N)C1	ZINC000274548905	768863238	/nfs/dbraw/zinc/86/32/38/768863238.db2.gz	WPGFXCRPVFKUCA-LMMKCTJWSA-N	1	0	369.513	1.992	20	30		FDEDRO
COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc1C#N	ZINC001020407028	769188805	/nfs/dbraw/zinc/18/88/05/769188805.db2.gz	KSLYDLVGDAKUMG-VWODBBQFSA-N	1	0	367.449	1.727	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)ccc1F	ZINC001020422955	769407578	/nfs/dbraw/zinc/40/75/78/769407578.db2.gz	KYAJEUVTRLGKLM-BRFLTPSNSA-N	1	0	373.428	1.486	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C#N)ccc2OC)C1	ZINC001022736614	782796695	/nfs/dbraw/zinc/79/66/95/782796695.db2.gz	YQKMUKNJRDIAGN-XDNAFOTISA-N	1	0	355.438	1.895	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCc3nncn3CC1)C2	ZINC001112478137	770146926	/nfs/dbraw/zinc/14/69/26/770146926.db2.gz	WLOWXJPQNVDLMC-ZWOKBUDYSA-N	1	0	355.486	1.472	20	30		FDEDRO
C=CCCn1cc(C[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)nn1	ZINC000657427634	782812104	/nfs/dbraw/zinc/81/21/04/782812104.db2.gz	CPBCLGJYKCKQSD-UHFFFAOYSA-N	1	0	355.508	1.394	20	30		FDEDRO
C[C@@H](NC(=O)[C@]12C[C@H]1COC2)C1C[NH+](Cc2ccc(OCC#N)cc2)C1	ZINC000969712319	770720858	/nfs/dbraw/zinc/72/08/58/770720858.db2.gz	BVLNXQMPYAWCAW-LIVBEALHSA-N	1	0	355.438	1.562	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C[C@H]1C	ZINC001104228844	770731830	/nfs/dbraw/zinc/73/18/30/770731830.db2.gz	SHTLGULNMBOJLD-QRQLOZEOSA-N	1	0	359.514	1.733	20	30		FDEDRO
C=C(C)CN1C[C@H]2OCCN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@H]2C1	ZINC001083193925	771219359	/nfs/dbraw/zinc/21/93/59/771219359.db2.gz	NOVKTWCFJGKEFS-VQTJNVASSA-N	1	0	357.498	1.892	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)cc1C#N	ZINC000970037607	771241150	/nfs/dbraw/zinc/24/11/50/771241150.db2.gz	BHANFZJLFREBHI-MTNOOBJLSA-N	1	0	355.438	1.825	20	30		FDEDRO
Cn1cc([C@@H]2C[C@H]2C(=O)NCCC[NH2+]Cc2cc(F)ccc2C#N)cn1	ZINC001167103685	771269252	/nfs/dbraw/zinc/26/92/52/771269252.db2.gz	VRKGMOBAGGEOOL-ZWKOTPCHSA-N	1	0	355.417	1.830	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000535632267	771284761	/nfs/dbraw/zinc/28/47/61/771284761.db2.gz	POOJWWMUCVENMB-ZWKOTPCHSA-N	1	0	352.438	1.510	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)C(=C)Cl)C[C@H]1C	ZINC001104237835	771475513	/nfs/dbraw/zinc/47/55/13/771475513.db2.gz	RPMJSMHFTDPLKG-IJEWVQPXSA-N	1	0	367.921	1.977	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccnn2CCC)C[C@H]1C	ZINC001104244141	771720833	/nfs/dbraw/zinc/72/08/33/771720833.db2.gz	REVVRVIHFMXYHU-HZPDHXFCSA-N	1	0	361.490	1.283	20	30		FDEDRO
C=CCCCCC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1	ZINC001167207333	771728486	/nfs/dbraw/zinc/72/84/86/771728486.db2.gz	NASGUSZPBIQBQI-JKSUJKDBSA-N	1	0	351.491	1.642	20	30		FDEDRO
C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1	ZINC001167207716	771730222	/nfs/dbraw/zinc/73/02/22/771730222.db2.gz	UXJYEUQEXBULCL-DLBZAZTESA-N	1	0	363.502	1.609	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2c(F)cncc2F)C[C@H]1C	ZINC001104245314	771756705	/nfs/dbraw/zinc/75/67/05/771756705.db2.gz	BDQCCIVLSWOBDG-ZIAGYGMSSA-N	1	0	351.397	1.697	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(Cc3cnccc3C)C[C@@H]21	ZINC001083198773	771825570	/nfs/dbraw/zinc/82/55/70/771825570.db2.gz	PZJPJINRXGYAJN-YDZRNGNQSA-N	1	0	357.454	1.393	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)nn1CCC#N	ZINC000275462976	771828292	/nfs/dbraw/zinc/82/82/92/771828292.db2.gz	VTLVYFDXVVYURE-HNNXBMFYSA-N	1	0	360.462	1.377	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC2CC2)C1	ZINC001112512398	782970788	/nfs/dbraw/zinc/97/07/88/782970788.db2.gz	ACZGSDDHZAVTAZ-RXVVDRJESA-N	1	0	359.514	1.925	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cncc(OC)n2)C1	ZINC000970220956	772130486	/nfs/dbraw/zinc/13/04/86/772130486.db2.gz	ONBVYQGPIHUHMC-HFTRVMKXSA-N	1	0	360.458	1.547	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](NCc2nnc(C3CC3)[nH]2)C1	ZINC000970221456	772131077	/nfs/dbraw/zinc/13/10/77/772131077.db2.gz	YDDDSIFYWAMYQD-VYDXJSESSA-N	1	0	359.474	1.744	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CC3(CCC3)C1)C2	ZINC001112512749	782993715	/nfs/dbraw/zinc/99/37/15/782993715.db2.gz	REZBPPKZYXGIDS-JXFKEZNVSA-N	1	0	358.486	1.425	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(=O)C2CC2)C[C@H]1C	ZINC001104259556	772499849	/nfs/dbraw/zinc/49/98/49/772499849.db2.gz	SUXKLSQTHRXPMC-NVXWUHKLSA-N	1	0	351.491	1.132	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1CC[NH2+]CC#Cc1ccccc1	ZINC001104261132	772517086	/nfs/dbraw/zinc/51/70/86/772517086.db2.gz	KVTRXTGZZYLNDA-MISYRCLQSA-N	1	0	367.493	1.591	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)CCCNC(=O)C2CC2)C[C@H]1C	ZINC001104262614	772547422	/nfs/dbraw/zinc/54/74/22/772547422.db2.gz	CZYVEJNSCLDUSE-SJLPKXTDSA-N	1	0	363.502	1.017	20	30		FDEDRO
C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)N(C)C)C1C[NH+](Cc2cccc(C#N)c2)C1	ZINC000970423719	772606778	/nfs/dbraw/zinc/60/67/78/772606778.db2.gz	AKVPMMHXNSGIED-DOPJRALCSA-N	1	0	354.454	1.219	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC)C2)CCOCC1	ZINC001104279572	772754917	/nfs/dbraw/zinc/75/49/17/772754917.db2.gz	FSFJWISOWHXUFU-IXDOHACOSA-N	1	0	363.502	1.015	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2nc(Cc3ccccc3F)no2)CC1	ZINC000924047338	773110575	/nfs/dbraw/zinc/11/05/75/773110575.db2.gz	QTMFUKJWSBVJRQ-UHFFFAOYSA-N	1	0	371.416	1.696	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)ncn1	ZINC001021385339	773122226	/nfs/dbraw/zinc/12/22/26/773122226.db2.gz	TUQFLIHKSZQELS-ROUSISIUSA-N	1	0	356.470	1.988	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3c(C)ccn3C)[C@@H]2C1	ZINC001021468199	773482904	/nfs/dbraw/zinc/48/29/04/773482904.db2.gz	QIHWYCQCWITSFE-OKZBNKHCSA-N	1	0	368.481	1.104	20	30		FDEDRO
CN(C)C(=O)c1ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc1	ZINC000275799127	773825418	/nfs/dbraw/zinc/82/54/18/773825418.db2.gz	HGUDUIQJJUIEAZ-UHFFFAOYSA-N	1	0	373.457	1.021	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)C1	ZINC001021591908	774126857	/nfs/dbraw/zinc/12/68/57/774126857.db2.gz	YDYJXOPSWLBTDV-IPMKNSEASA-N	1	0	357.498	1.437	20	30		FDEDRO
CC(C)[C@H](C(=O)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1)[NH+]1CCCC1	ZINC001021593247	774138535	/nfs/dbraw/zinc/13/85/35/774138535.db2.gz	WTDQWKCFXXNZJF-NLWGTHIKSA-N	1	0	357.498	1.580	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCn1cncn1	ZINC001111488405	774290029	/nfs/dbraw/zinc/29/00/29/774290029.db2.gz	JSOVPGZRJMBOJL-MLHJIOFPSA-N	1	0	361.490	1.761	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc3c(=O)[nH]c(C)cn3n1)C2	ZINC001112496105	774327895	/nfs/dbraw/zinc/32/78/95/774327895.db2.gz	HRAOZPPARZIDFZ-LIRRHRJNSA-N	1	0	355.442	1.349	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnc(C)nc2)C1	ZINC001104306153	774435916	/nfs/dbraw/zinc/43/59/16/774435916.db2.gz	NRSOURUJCWEPAJ-AHRSYUTCSA-N	1	0	369.513	1.457	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C[C@H]1C	ZINC001104307666	774460282	/nfs/dbraw/zinc/46/02/82/774460282.db2.gz	GLDBGFVIRUBDET-NCXUSEDFSA-N	1	0	372.513	1.985	20	30		FDEDRO
[NH2+]=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)N[C@@H]1CCOc2ccccc21	ZINC000261603481	774538769	/nfs/dbraw/zinc/53/87/69/774538769.db2.gz	CSRGZFFQDQPLTM-YXJHDRRASA-N	1	0	359.470	1.982	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1CC[NH2+]Cc1ccc(C#N)s1	ZINC001104317837	774854423	/nfs/dbraw/zinc/85/44/23/774854423.db2.gz	OLLADYFZTBUQOM-CHWSQXEVSA-N	1	0	362.499	1.705	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](CC)[C@H]2CCCCO2)CC1	ZINC000656311377	774907907	/nfs/dbraw/zinc/90/79/07/774907907.db2.gz	MGJOZQKAULWYNQ-IAGOWNOFSA-N	1	0	351.491	1.607	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cn(C)c(C)cc2=O)C[C@H]1C	ZINC001104324244	774986819	/nfs/dbraw/zinc/98/68/19/774986819.db2.gz	WDGRPAAWGANWID-NVXWUHKLSA-N	1	0	359.470	1.031	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(F)ccc1C)C2	ZINC001112500939	775012762	/nfs/dbraw/zinc/01/27/62/775012762.db2.gz	ZLWLKLSYDXHGJX-KKSFZXQISA-N	1	0	371.456	1.715	20	30		FDEDRO
C=CCOc1ccc(/C=C\C(=O)N2CCN(C)CC[N@H+](C)CC2)cc1OC	ZINC000888977748	775015630	/nfs/dbraw/zinc/01/56/30/775015630.db2.gz	MUKWEOJLRZBZQS-CLFYSBASSA-N	1	0	373.497	1.979	20	30		FDEDRO
C=C(Br)C[NH2+]CC[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1C	ZINC001104335260	775494169	/nfs/dbraw/zinc/49/41/69/775494169.db2.gz	CMXQCTRMIMDKEC-ZYHUDNBSSA-N	1	0	369.263	1.779	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1	ZINC001104335349	775497959	/nfs/dbraw/zinc/49/79/59/775497959.db2.gz	NGPNBTUSLHKNRF-RHSMWYFYSA-N	1	0	365.437	1.942	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087148533	775587529	/nfs/dbraw/zinc/58/75/29/775587529.db2.gz	XVKPDTQNPJHABQ-MNEFBYGVSA-N	1	0	368.481	1.801	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001087148276	775589289	/nfs/dbraw/zinc/58/92/89/775589289.db2.gz	NEPYDWWOIUFMDS-MDZRGWNJSA-N	1	0	368.481	1.801	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2ccc(C#N)[nH]2)C1=O	ZINC001087151051	775995039	/nfs/dbraw/zinc/99/50/39/775995039.db2.gz	UXOHPLDGOXKZCY-PVAVHDDUSA-N	1	0	369.469	1.504	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)c4ccccn4)C[C@H]32)CC1	ZINC001021883940	776489143	/nfs/dbraw/zinc/48/91/43/776489143.db2.gz	PHOUXBVGOBZTFP-PKOBYXMFSA-N	1	0	366.465	1.100	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)c4conc4C)C[C@H]32)CC1	ZINC001021884220	776498631	/nfs/dbraw/zinc/49/86/31/776498631.db2.gz	UPMDWEIUHBZWPZ-FUHWJXTLSA-N	1	0	370.453	1.001	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C4(CF)CC4)C[C@H]32)CC1	ZINC001021886876	776502438	/nfs/dbraw/zinc/50/24/38/776502438.db2.gz	WNTMEJZZLMCTEK-DLBZAZTESA-N	1	0	361.461	1.141	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1	ZINC001007661523	790460336	/nfs/dbraw/zinc/46/03/36/790460336.db2.gz	YZXALDRYTJNLOT-JXXFODFXSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]21	ZINC001021937585	776741435	/nfs/dbraw/zinc/74/14/35/776741435.db2.gz	QTGCREUUPAERGY-XYJFISCASA-N	1	0	356.470	1.441	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]21	ZINC001021939684	776751275	/nfs/dbraw/zinc/75/12/75/776751275.db2.gz	PEDHYJLFWOLYHG-JENIJYKNSA-N	1	0	370.497	1.831	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1	ZINC000276220387	776904259	/nfs/dbraw/zinc/90/42/59/776904259.db2.gz	XBFYTVDHCRYPSC-KBPBESRZSA-N	1	0	356.426	1.683	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c[nH]nc1C)C2	ZINC001112505398	776977138	/nfs/dbraw/zinc/97/71/38/776977138.db2.gz	MMGUKZPDJRRNAK-VCBZYWHSSA-N	1	0	359.474	1.241	20	30		FDEDRO
Cc1nsc(N(C)C(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c1C#N	ZINC000891424028	777014606	/nfs/dbraw/zinc/01/46/06/777014606.db2.gz	QDFCAUKZUKCGQD-UKRRQHHQSA-N	1	0	358.471	1.755	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)CCC1	ZINC000933302552	777061911	/nfs/dbraw/zinc/06/19/11/777061911.db2.gz	HVPLZVJLYSCKMA-CQSZACIVSA-N	1	0	364.471	1.025	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3ccccc3OC)[C@H]2C1	ZINC001083219216	777092292	/nfs/dbraw/zinc/09/22/92/777092292.db2.gz	HXRGKEMDMRGSSO-HLNWXESRSA-N	1	0	354.450	1.734	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cccc(C(N)=O)c2)C[C@H]1C	ZINC001104359581	777258998	/nfs/dbraw/zinc/25/89/98/777258998.db2.gz	NUSFZISPJSIBJY-CRAIPNDOSA-N	1	0	359.470	1.676	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCn3cncn3)C2)cc1	ZINC001112505765	777345532	/nfs/dbraw/zinc/34/55/32/777345532.db2.gz	HCTMAZIRPKLOOU-FPOVZHCZSA-N	1	0	363.465	1.792	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)Cn2ccc(C)cc2=O)C[C@H]1C	ZINC001104741339	790546100	/nfs/dbraw/zinc/54/61/00/790546100.db2.gz	KFHODSFZYIGKMN-QZTJIDSGSA-N	1	0	361.486	1.434	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)C[C@H]1C	ZINC001104365525	777763554	/nfs/dbraw/zinc/76/35/54/777763554.db2.gz	OBLLCJOXIGDFJL-OAGGEKHMSA-N	1	0	361.490	1.587	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)o1	ZINC000276520609	777892352	/nfs/dbraw/zinc/89/23/52/777892352.db2.gz	COTIHSNBIXVBJP-DOTOQJQBSA-N	1	0	357.458	1.814	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C	ZINC001104368586	777992996	/nfs/dbraw/zinc/99/29/96/777992996.db2.gz	ZRBHBTDXQONOGV-KZNAEPCWSA-N	1	0	364.534	1.189	20	30		FDEDRO
C[C@]1(C#N)CN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCO1	ZINC000891539769	778256661	/nfs/dbraw/zinc/25/66/61/778256661.db2.gz	DCHXPINEADYYAI-FQEVSTJZSA-N	1	0	371.485	1.128	20	30		FDEDRO
C[C@H](NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1cccc(C#N)c1	ZINC000891621078	778586645	/nfs/dbraw/zinc/58/66/45/778586645.db2.gz	FHCDLYHBMOJNDZ-DXEWXGHRSA-N	1	0	369.425	1.196	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)c4cc[nH]c4C)[C@@H]3C2)CC1	ZINC000971737777	778916217	/nfs/dbraw/zinc/91/62/17/778916217.db2.gz	NLXMTSSLBAHOPV-IEBWSBKVSA-N	1	0	368.481	1.341	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)C4([NH+](C)C)CCC4)C[C@H]32)cn1	ZINC001022294303	779190926	/nfs/dbraw/zinc/19/09/26/779190926.db2.gz	BBAPAQHFEXKZMK-FUHWJXTLSA-N	1	0	366.465	1.220	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]32)cn1	ZINC001022294377	779192870	/nfs/dbraw/zinc/19/28/70/779192870.db2.gz	DFXABUBAGQSDAO-RYQLBKOJSA-N	1	0	354.454	1.076	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)[C@H]4CCCC[N@H+]4C)C[C@H]32)cn1	ZINC001022294614	779194764	/nfs/dbraw/zinc/19/47/64/779194764.db2.gz	NVJGXWJOCYJTTI-QXAKKESOSA-N	1	0	366.465	1.220	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCC[C@H]4[NH2+]CC[C@@H]43)C2=O)cc1	ZINC000891764731	779303663	/nfs/dbraw/zinc/30/36/63/779303663.db2.gz	LKVIMDKEWLVQSD-SQNIBIBYSA-N	1	0	367.453	1.590	20	30		FDEDRO
CCN(C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CC[NH2+]C1	ZINC000891764703	779303707	/nfs/dbraw/zinc/30/37/07/779303707.db2.gz	LCPNMZFNSIHBIP-IAGOWNOFSA-N	1	0	355.442	1.447	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087172684	779347516	/nfs/dbraw/zinc/34/75/16/779347516.db2.gz	NQSQCQQFXKAPON-LZQZEXGQSA-N	1	0	368.481	1.753	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4CCCC[N@H+]4C)C[C@H]32)cc1	ZINC001022334701	779436054	/nfs/dbraw/zinc/43/60/54/779436054.db2.gz	ZVSCGLQZNUBATF-SLFFLAALSA-N	1	0	365.477	1.825	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C)n2C)C1	ZINC001111586789	780056486	/nfs/dbraw/zinc/05/64/86/780056486.db2.gz	MTZUGJHJMMAMPN-FTRWYGJKSA-N	1	0	356.470	1.056	20	30		FDEDRO
CC(C)[NH+]1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000276951340	780285655	/nfs/dbraw/zinc/28/56/55/780285655.db2.gz	VZYABOJGZQFWJK-GOSISDBHSA-N	1	0	369.469	1.395	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@H](CCO)C2CCCC2)CC1	ZINC000934009894	780608862	/nfs/dbraw/zinc/60/88/62/780608862.db2.gz	OTHJQPSFKFFROA-QZTJIDSGSA-N	1	0	350.507	1.210	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)C[C@H]21	ZINC001022567505	781175884	/nfs/dbraw/zinc/17/58/84/781175884.db2.gz	ANILJIVHZTVPHS-AYOQOUSVSA-N	1	0	368.481	1.623	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(CC)CC)C[C@H]1c1ccccc1	ZINC001211535361	781223196	/nfs/dbraw/zinc/22/31/96/781223196.db2.gz	BBHLWTBXUUFTPH-RBUKOAKNSA-N	1	0	355.482	1.756	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2ccc(C)cc2)C[C@H]1C	ZINC001104397518	781280639	/nfs/dbraw/zinc/28/06/39/781280639.db2.gz	PAGYSUGNFKLVFI-IEBWSBKVSA-N	1	0	357.498	1.914	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NC[C@@H]([NH3+])c3ccccc3)CC2)cn1	ZINC000892030889	781286444	/nfs/dbraw/zinc/28/64/44/781286444.db2.gz	PBEINKLFUFETDG-GOSISDBHSA-N	1	0	350.426	1.485	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3CN(C(=O)C[N@H+]4CCC[C@H]4C)C[C@H]32)c1	ZINC001022634720	781691014	/nfs/dbraw/zinc/69/10/14/781691014.db2.gz	DKIKMMMINUBRIG-HHXXYDBFSA-N	1	0	366.465	1.220	20	30		FDEDRO
C=C(C)CN1C[C@H]2OCCN(C(=O)c3cc(-n4ccnc4)ccn3)[C@H]2C1	ZINC001083239063	781725861	/nfs/dbraw/zinc/72/58/61/781725861.db2.gz	RDCLVSJGQTYLLY-ZWKOTPCHSA-N	1	0	353.426	1.369	20	30		FDEDRO
C[C@]12C[NH2+]C[C@H]1CN(C(=O)NC1CCN(c3ccccc3C#N)CC1)C2	ZINC000892427321	783769727	/nfs/dbraw/zinc/76/97/27/783769727.db2.gz	MNPVOCXUUUEIFM-OXJNMPFZSA-N	1	0	353.470	1.778	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1Cc3ccccc31)C2	ZINC001112519555	783837974	/nfs/dbraw/zinc/83/79/74/783837974.db2.gz	PIZMXRKQCHKHCX-JLMWRMLUSA-N	1	0	365.477	1.294	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1	ZINC000972856254	783971845	/nfs/dbraw/zinc/97/18/45/783971845.db2.gz	KNROZXRVRDNONB-QZTJIDSGSA-N	1	0	355.482	1.335	20	30		FDEDRO
C[C@H](CCNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1)[NH+](C)C	ZINC000658426067	784017807	/nfs/dbraw/zinc/01/78/07/784017807.db2.gz	VDERWHQIIPHVNN-MRXNPFEDSA-N	1	0	364.449	1.876	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000658496458	784150087	/nfs/dbraw/zinc/15/00/87/784150087.db2.gz	BDNXFBBXQNFBHR-LJQANCHMSA-N	1	0	373.497	1.818	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000658613907	784665286	/nfs/dbraw/zinc/66/52/86/784665286.db2.gz	JUZCFPLDAUDKJB-GOSISDBHSA-N	1	0	373.497	1.818	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ncc(OC)cn2)C[C@H]1c1ccccc1	ZINC001211631697	784859259	/nfs/dbraw/zinc/85/92/59/784859259.db2.gz	KMLQJMYOZUZHMN-ZWKOTPCHSA-N	1	0	350.422	1.706	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1	ZINC001024491049	784898651	/nfs/dbraw/zinc/89/86/51/784898651.db2.gz	URLSQLYGNQCZHM-IPELMVKDSA-N	1	0	357.454	1.833	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCCCCN2C(=O)COC)CC1	ZINC000375812402	784990945	/nfs/dbraw/zinc/99/09/45/784990945.db2.gz	RELONASTLNTZOI-AEFFLSMTSA-N	1	0	365.518	1.807	20	30		FDEDRO
CCN(CCC[NH+](C)C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000364990730	785249346	/nfs/dbraw/zinc/24/93/46/785249346.db2.gz	JSHDHGVAJNNWTA-UHFFFAOYSA-N	1	0	358.490	1.905	20	30		FDEDRO
CC[NH+](CC)[C@@H](C)CNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000365095610	785291582	/nfs/dbraw/zinc/29/15/82/785291582.db2.gz	IVMIUVKISFHGEW-YJBOKZPZSA-N	1	0	356.470	1.896	20	30		FDEDRO
N#Cc1ccc(C2(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)CC2)cc1	ZINC000365385493	785451998	/nfs/dbraw/zinc/45/19/98/785451998.db2.gz	OAPFNQHBAMSHAJ-IBGZPJMESA-N	1	0	368.481	1.113	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1	ZINC001024650220	785617140	/nfs/dbraw/zinc/61/71/40/785617140.db2.gz	QTNALTFWDWWNEP-HZPDHXFCSA-N	1	0	356.426	1.238	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCCCN1Cc1ccccc1C#N	ZINC001024652133	785624806	/nfs/dbraw/zinc/62/48/06/785624806.db2.gz	HYADOOJYFWUFFA-CEXWTWQISA-N	1	0	368.481	1.753	20	30		FDEDRO
COc1ccc(C#N)cc1CN1CCCC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O	ZINC001024656956	785637985	/nfs/dbraw/zinc/63/79/85/785637985.db2.gz	UMMPOEUDIGRARV-ZACQAIPSSA-N	1	0	370.453	1.159	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1c(C)nnn1CC	ZINC001024661542	785651530	/nfs/dbraw/zinc/65/15/30/785651530.db2.gz	IDYCSKQQFYUFGR-JZXOWHBKSA-N	1	0	361.490	1.668	20	30		FDEDRO
COc1ccc(CN2C[C@@H]3CCN(C(=O)c4cnccn4)[C@@H]3C2)cc1C#N	ZINC001075504013	785686954	/nfs/dbraw/zinc/68/69/54/785686954.db2.gz	QNBNLAJODHCUES-MAUKXSAKSA-N	1	0	363.421	1.703	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COC[C@H]2CCOC2)C[C@H]1c1ccccc1	ZINC001211682004	805653869	/nfs/dbraw/zinc/65/38/69/805653869.db2.gz	DVITYVNSEVUHML-YSIASYRMSA-N	1	0	356.466	1.647	20	30		FDEDRO
C[C@@H]1CCOCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000376149917	786011843	/nfs/dbraw/zinc/01/18/43/786011843.db2.gz	KFMYOMKVKQWKQR-APWZRJJASA-N	1	0	374.460	1.645	20	30		FDEDRO
N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@]23C[C@H]2CCC3)C[C@H]1c1ccccc1	ZINC001211637416	786680411	/nfs/dbraw/zinc/68/04/11/786680411.db2.gz	NQAZPNOSRCBICQ-BMQTXXJKSA-N	1	0	366.465	1.401	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3OCC[C@H]3C)[C@@H]2C1	ZINC000978732063	805721898	/nfs/dbraw/zinc/72/18/98/805721898.db2.gz	NOYZGVALRBVVPA-REPJOTQGSA-N	1	0	369.465	1.786	20	30		FDEDRO
CNC(=O)CN1CCC(NC(=O)N[C@@H](CCCC#N)c2ccccc2)CC1	ZINC000431823255	787070424	/nfs/dbraw/zinc/07/04/24/787070424.db2.gz	KYRRPUYHQPHCEH-SFHVURJKSA-N	1	0	371.485	1.931	20	30		FDEDRO
COc1ccc([C@H]2[C@H](CNC(=O)NCC(=O)NCC#N)CCC[N@@H+]2C)cc1	ZINC000376316498	787254493	/nfs/dbraw/zinc/25/44/93/787254493.db2.gz	MDVMXADGCWUXQF-YJBOKZPZSA-N	1	0	373.457	1.017	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cc(OC)ccn3)C[C@H]21	ZINC000978824427	805800226	/nfs/dbraw/zinc/80/02/26/805800226.db2.gz	BBQXFABCRRBIBT-FSGKZVOOSA-N	1	0	371.481	1.865	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2CC[C@@H](C(N)=O)C2)cc1	ZINC001025086740	787807765	/nfs/dbraw/zinc/80/77/65/787807765.db2.gz	CBEHJEZUNQWDHG-CEXWTWQISA-N	1	0	368.481	1.931	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1	ZINC000978873831	805840298	/nfs/dbraw/zinc/84/02/98/805840298.db2.gz	HLZRHNARUVREPI-RZFLPCETSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1	ZINC001025217029	788271205	/nfs/dbraw/zinc/27/12/05/788271205.db2.gz	ZXSJIVBVGLEXPT-SPWCGHHHSA-N	1	0	371.909	1.183	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](C(C)(C)COC)CC1	ZINC000424225563	788403626	/nfs/dbraw/zinc/40/36/26/788403626.db2.gz	VQKZMZFOLGGUCW-MRXNPFEDSA-N	1	0	363.506	1.905	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000978877054	805874794	/nfs/dbraw/zinc/87/47/94/805874794.db2.gz	XPQRYACHUUNSKM-ZXXIGWHRSA-N	1	0	363.502	1.319	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(OCC)cc2)nn1	ZINC000659352629	788549430	/nfs/dbraw/zinc/54/94/30/788549430.db2.gz	OBPVPKRKSSWISM-IRXDYDNUSA-N	1	0	355.442	1.738	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2CCC(OC)CC2)C[C@H]1C	ZINC001104604450	788827516	/nfs/dbraw/zinc/82/75/16/788827516.db2.gz	YQDKWNAHIZEQEP-RZZCCWGQSA-N	1	0	363.502	1.015	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)CC(F)(F)F)C[C@H]1C	ZINC001104619945	788922448	/nfs/dbraw/zinc/92/24/48/788922448.db2.gz	UCIONVSDOABKPP-BFHYXJOUSA-N	1	0	363.424	1.951	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@H](C)C(F)(F)F)C[C@H]1C	ZINC001104620898	788929680	/nfs/dbraw/zinc/92/96/80/788929680.db2.gz	NVDKJDHNDOMMNY-HZSPNIEDSA-N	1	0	361.408	1.399	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccco3)C2)CC1	ZINC000936223353	788964812	/nfs/dbraw/zinc/96/48/12/788964812.db2.gz	FTTWEFSJJIQZIA-KZNAEPCWSA-N	1	0	369.465	1.445	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)CC)C2)c1	ZINC001104659418	789181774	/nfs/dbraw/zinc/18/17/74/789181774.db2.gz	KGHJKJRDCYUKIS-NVXWUHKLSA-N	1	0	356.470	1.229	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)N(C)C)C2)c1	ZINC001104659827	789209690	/nfs/dbraw/zinc/20/96/90/789209690.db2.gz	VQRDQOGFRQCXCE-HLLBOEOZSA-N	1	0	356.470	1.227	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCc3cnn(C)c3)C2)c1	ZINC001104659840	789209825	/nfs/dbraw/zinc/20/98/25/789209825.db2.gz	WFVNTLUAEPZLCA-VQIMIIECSA-N	1	0	365.481	1.727	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCc3nc[nH]c32)C[C@H]1C	ZINC001104664913	789231647	/nfs/dbraw/zinc/23/16/47/789231647.db2.gz	BEEVOZQYHWYJMV-BRWVUGGUSA-N	1	0	358.486	1.554	20	30		FDEDRO
C=CCN(C(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1)[C@H](C)COC	ZINC000659626232	789296503	/nfs/dbraw/zinc/29/65/03/789296503.db2.gz	HAEQJBYWUAFWTB-OAHLLOKOSA-N	1	0	354.495	1.210	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2c3n(c(=O)n2C)CCCC3)C[C@H]1C	ZINC001104682068	789355895	/nfs/dbraw/zinc/35/58/95/789355895.db2.gz	ZENGFKFKQUVFER-HZPDHXFCSA-N	1	0	358.486	1.234	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2Cc3ccncc3C2)C[C@H]1C	ZINC001104682267	789362860	/nfs/dbraw/zinc/36/28/60/789362860.db2.gz	JTHJVDGDMACAEI-QRQLOZEOSA-N	1	0	355.482	1.520	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNC(=O)C2CC2)C1	ZINC001104699747	789520865	/nfs/dbraw/zinc/52/08/65/789520865.db2.gz	INZCBIIDEMIEBI-DDBAPUKQSA-N	1	0	363.502	1.178	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1	ZINC000415016194	791203786	/nfs/dbraw/zinc/20/37/86/791203786.db2.gz	BUGJVDHZZUTBTD-AWEZNQCLSA-N	1	0	359.430	1.276	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCCn2cnc(C#N)n2)CC1	ZINC000377220162	791299398	/nfs/dbraw/zinc/29/93/98/791299398.db2.gz	GIZSWCRRAFZKSO-MRXNPFEDSA-N	1	0	373.505	1.836	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H]2C[C@H](OC)CN2C(=O)OC(C)(C)C)CC1	ZINC000377268752	791395755	/nfs/dbraw/zinc/39/57/55/791395755.db2.gz	UWPCIQZFBWZFPV-JKSUJKDBSA-N	1	0	367.490	1.777	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1)C2	ZINC001112529029	806084956	/nfs/dbraw/zinc/08/49/56/806084956.db2.gz	AMTCDCXCVZPGFE-LJCCNALRSA-N	1	0	363.502	1.417	20	30		FDEDRO
CCC1([NH3+])CCN(C(=O)N2CCN(c3snc(C)c3C#N)CC2)CC1	ZINC000892931077	791704755	/nfs/dbraw/zinc/70/47/55/791704755.db2.gz	FJJVUGIVCIRZLZ-UHFFFAOYSA-N	1	0	362.503	1.769	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@]2(C)CCC(=O)N2)C1	ZINC001112029211	791791814	/nfs/dbraw/zinc/79/18/14/791791814.db2.gz	VUQFXNDFQGIJJR-DBVUQKKJSA-N	1	0	361.486	1.056	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1	ZINC001025687376	791830100	/nfs/dbraw/zinc/83/01/00/791830100.db2.gz	ROMCLABRHCGQLW-LPMFXHHGSA-N	1	0	369.481	1.099	20	30		FDEDRO
CCCN(C(=O)C(=O)Nc1cc(C#N)ccc1OCCOC)[C@@H]1CC[NH2+]C1	ZINC000415389086	792161238	/nfs/dbraw/zinc/16/12/38/792161238.db2.gz	FXRHEAJQWJIZLC-OAHLLOKOSA-N	1	0	374.441	1.122	20	30		FDEDRO
C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1	ZINC000415416964	792214931	/nfs/dbraw/zinc/21/49/31/792214931.db2.gz	UTPFPYMBNDIHGU-GFCCVEGCSA-N	1	0	368.441	1.271	20	30		FDEDRO
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N(C)[C@H](C)C[NH3+]	ZINC000415418436	792233129	/nfs/dbraw/zinc/23/31/29/792233129.db2.gz	OQQPNRVSTBKATA-CYBMUJFWSA-N	1	0	367.409	1.798	20	30		FDEDRO
CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	ZINC000415434131	792263562	/nfs/dbraw/zinc/26/35/62/792263562.db2.gz	HHGFGSGNOJIVFC-KRWDZBQOSA-N	1	0	367.409	1.784	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1C#N	ZINC000415451324	792286067	/nfs/dbraw/zinc/28/60/67/792286067.db2.gz	SJEXKUZPXJZHIP-KGLIPLIRSA-N	1	0	358.442	1.870	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](C[NH3+])CCCC)cc1	ZINC000415502957	792395393	/nfs/dbraw/zinc/39/53/93/792395393.db2.gz	RDMBGALJGDTUQC-HNNXBMFYSA-N	1	0	361.446	1.566	20	30		FDEDRO
CCCc1c(NC(=O)C(=O)N(C)CC[NH2+]C)cnn1-c1cccc(C#N)c1	ZINC000415543372	792492261	/nfs/dbraw/zinc/49/22/61/792492261.db2.gz	CUWVKAQCSZKYBU-UHFFFAOYSA-N	1	0	368.441	1.313	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)NCC2(C)CC[NH2+]CC2)cc1C#N	ZINC000415562298	792523118	/nfs/dbraw/zinc/52/31/18/792523118.db2.gz	PLAKASSQQAOTPT-UHFFFAOYSA-N	1	0	358.442	1.790	20	30		FDEDRO
C=C(C)C[C@H](NC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)C(=O)OCC	ZINC000893548269	806161960	/nfs/dbraw/zinc/16/19/60/806161960.db2.gz	PWYGOEPLXQCBKC-BBWFWOEESA-N	1	0	362.474	1.470	20	30		FDEDRO
COC(=O)c1cc(C[N@@H+]2CCCN(c3ncccc3C#N)CC2)cn1C	ZINC000377697006	792559461	/nfs/dbraw/zinc/55/94/61/792559461.db2.gz	HXAAVKCJRHBJCS-UHFFFAOYSA-N	1	0	353.426	1.791	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1	ZINC000415573778	792563594	/nfs/dbraw/zinc/56/35/94/792563594.db2.gz	OFOGPXYDHHPEEJ-AWEZNQCLSA-N	1	0	360.462	1.434	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCO[C@@](C)(C#N)C2)[C@H](C)C1	ZINC000893050759	792647340	/nfs/dbraw/zinc/64/73/40/792647340.db2.gz	NKZIJHJHHWLGDU-RYRKJORJSA-N	1	0	352.479	1.447	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1	ZINC000377770800	792760361	/nfs/dbraw/zinc/76/03/61/792760361.db2.gz	QHVOXOXMHAUCNJ-ROUUACIJSA-N	1	0	356.470	1.452	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1	ZINC000415671791	792782783	/nfs/dbraw/zinc/78/27/83/792782783.db2.gz	DSYXVHIXPSTXHK-CQSZACIVSA-N	1	0	358.442	1.871	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC[NH2+]1	ZINC000415671704	792783531	/nfs/dbraw/zinc/78/35/31/792783531.db2.gz	JSQABRNRZRQFLJ-CABZTGNLSA-N	1	0	370.331	1.652	20	30		FDEDRO
C[C@H]1COCC[N@H+](CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)C1	ZINC000328701908	792798651	/nfs/dbraw/zinc/79/86/51/792798651.db2.gz	WYOVKSDRGNZRHR-MRXNPFEDSA-N	1	0	359.470	1.951	20	30		FDEDRO
C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000415743896	792914027	/nfs/dbraw/zinc/91/40/27/792914027.db2.gz	MFDCAGNCYMXUHA-CABZTGNLSA-N	1	0	370.331	1.386	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1	ZINC000415757022	792927797	/nfs/dbraw/zinc/92/77/97/792927797.db2.gz	BMHRCOHNUVYWBY-LSDHHAIUSA-N	1	0	356.426	1.494	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1	ZINC000415760145	792932669	/nfs/dbraw/zinc/93/26/69/792932669.db2.gz	JYCATRQAGZFUQR-OAHLLOKOSA-N	1	0	356.426	1.353	20	30		FDEDRO
O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21	ZINC000415813826	793028196	/nfs/dbraw/zinc/02/81/96/793028196.db2.gz	HEWOFTVAUKGFOU-APWZRJJASA-N	1	0	360.417	1.240	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)c3ccc(CC)cc3)C[C@H]21	ZINC001026056782	793032773	/nfs/dbraw/zinc/03/27/73/793032773.db2.gz	CAEQDVLOUCMKCC-YQPXSLGVSA-N	1	0	370.493	1.920	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3COc4ccccc4O3)C[C@H]21	ZINC001026057064	793035265	/nfs/dbraw/zinc/03/52/65/793035265.db2.gz	XEJSIAOMFHWZMX-MWHICJNPSA-N	1	0	370.449	1.464	20	30		FDEDRO
C[C@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@H]1C[NH3+]	ZINC000415837953	793106974	/nfs/dbraw/zinc/10/69/74/793106974.db2.gz	CZEIKWVSKBKSKR-CMPLNLGQSA-N	1	0	366.368	1.541	20	30		FDEDRO
CCc1ccccc1[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(C#N)c(C)n1	ZINC000415842359	793159588	/nfs/dbraw/zinc/15/95/88/793159588.db2.gz	OYELEAUOKVXCFK-MRXNPFEDSA-N	1	0	351.410	1.579	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](O)C3CCCCC3)C[C@H]21	ZINC001026101698	793301548	/nfs/dbraw/zinc/30/15/48/793301548.db2.gz	AEDWJZOHRXOUMI-GXUNQHPWSA-N	1	0	362.514	1.955	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](O)Cc3ccccc3)C[C@H]21	ZINC001026101801	793302523	/nfs/dbraw/zinc/30/25/23/793302523.db2.gz	HGYZNBMIRVRONO-XAYQJVIWSA-N	1	0	370.493	1.618	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](NC(=O)Nc3ccc(C[NH3+])cc3)C2=O)cc1	ZINC000415962577	793434238	/nfs/dbraw/zinc/43/42/38/793434238.db2.gz	TYPZEKVNGLLRCA-GOSISDBHSA-N	1	0	363.421	1.940	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCCOC)C1	ZINC001104757637	793481759	/nfs/dbraw/zinc/48/17/59/793481759.db2.gz	GAIPCQZKKWIJDP-QRQLOZEOSA-N	1	0	367.534	1.958	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOC(C)C)C1	ZINC001104757757	793486776	/nfs/dbraw/zinc/48/67/76/793486776.db2.gz	LBOYETFURBYEKN-QRQLOZEOSA-N	1	0	367.534	1.957	20	30		FDEDRO
C=C(C)COCCNC(=O)Nc1ccccc1OCCN1CC[NH2+]CC1	ZINC000416034529	793508457	/nfs/dbraw/zinc/50/84/57/793508457.db2.gz	ZSLCRNKKXABSDF-UHFFFAOYSA-N	1	0	362.474	1.685	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]C[C@H](CC)OC)C2)nn1	ZINC001104777493	793599968	/nfs/dbraw/zinc/59/99/68/793599968.db2.gz	MWHRGMYAMGEEHK-ZACQAIPSSA-N	1	0	363.506	1.967	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cn(C)nn2)C1	ZINC001104782583	793633534	/nfs/dbraw/zinc/63/35/34/793633534.db2.gz	JZGIHJQIRUALJG-LMSBXDPUSA-N	1	0	361.490	1.371	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)Cc2ccco2)C[C@H]1C	ZINC001104782865	793634448	/nfs/dbraw/zinc/63/44/48/793634448.db2.gz	XWUYOWWRPPRGIM-GVDBMIGSSA-N	1	0	359.470	1.282	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(N3CCCC3)ncn1)C2	ZINC001112529684	806261075	/nfs/dbraw/zinc/26/10/75/806261075.db2.gz	KKYKCSVVPRSKAB-UWJYYQICSA-N	1	0	367.497	1.932	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)CC1	ZINC000378261786	793819045	/nfs/dbraw/zinc/81/90/45/793819045.db2.gz	LCKJLDWRDKATOU-IERDGZPVSA-N	1	0	362.433	1.204	20	30		FDEDRO
Cc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)nn1-c1cccc(C#N)c1	ZINC000452376335	793926417	/nfs/dbraw/zinc/92/64/17/793926417.db2.gz	KSDXNENEHJDHFF-SFHVURJKSA-N	1	0	367.453	1.629	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2nc(C)oc2C)C[C@H]1C	ZINC001104830849	793949905	/nfs/dbraw/zinc/94/99/05/793949905.db2.gz	JULAAFAFZCDKDT-DVOMOZLQSA-N	1	0	360.458	1.117	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCC1CC[NH+](C)CC1	ZINC000181851906	793989975	/nfs/dbraw/zinc/98/99/75/793989975.db2.gz	UGYRNJNIWOLOCE-AWEZNQCLSA-N	1	0	358.442	1.764	20	30		FDEDRO
CN(C(=O)C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1)C1(C#N)CCCCC1	ZINC000378364097	794020438	/nfs/dbraw/zinc/02/04/38/794020438.db2.gz	OIOXYABAKBOHST-QZTJIDSGSA-N	1	0	373.501	1.993	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)Cc2cnn(C)c2)C[C@H]1C	ZINC001104851874	794067932	/nfs/dbraw/zinc/06/79/32/794067932.db2.gz	BCLBAKKOWQFBDI-ZHALLVOQSA-N	1	0	362.518	1.876	20	30		FDEDRO
COc1ccc(N2CC[NH+](CCCNC(=O)NC[C@H](C)C#N)CC2)cc1	ZINC000182376292	794093854	/nfs/dbraw/zinc/09/38/54/794093854.db2.gz	AULROBGMEBPWSY-MRXNPFEDSA-N	1	0	359.474	1.666	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(CCC)on2)C[C@H]1C	ZINC001104860734	794108331	/nfs/dbraw/zinc/10/83/31/794108331.db2.gz	LYUXWEWJOBBBMB-HUUCEWRRSA-N	1	0	362.474	1.617	20	30		FDEDRO
CCCSCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC#CCOC)C1	ZINC001112058925	794147223	/nfs/dbraw/zinc/14/72/23/794147223.db2.gz	YLZRHTUAZCLHAO-CHWSQXEVSA-N	1	0	352.422	1.758	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1	ZINC000378450390	794162393	/nfs/dbraw/zinc/16/23/93/794162393.db2.gz	IDEJPLCZYKPZEO-GOEBONIOSA-N	1	0	356.426	1.448	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ncoc2C(C)C)C[C@H]1C	ZINC001104878714	794184020	/nfs/dbraw/zinc/18/40/20/794184020.db2.gz	PSTGXMLOYBMMIZ-HUUCEWRRSA-N	1	0	362.474	1.788	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CC[NH+](C[C@H](O)CC#N)CC1	ZINC000930640292	794218378	/nfs/dbraw/zinc/21/83/78/794218378.db2.gz	VHTLFOJGXLZTBZ-OAGGEKHMSA-N	1	0	353.463	1.655	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2c[nH]c3cccnc32)C[C@H]1C	ZINC001104912114	794356261	/nfs/dbraw/zinc/35/62/61/794356261.db2.gz	LLVLBNFFCIXHPR-HZPDHXFCSA-N	1	0	354.454	1.901	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)COC)C1	ZINC001104921380	794402229	/nfs/dbraw/zinc/40/22/29/794402229.db2.gz	AJAGIHORTBBNDG-IXDOHACOSA-N	1	0	359.470	1.816	20	30		FDEDRO
C=C(Br)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1C	ZINC001104928656	794439800	/nfs/dbraw/zinc/43/98/00/794439800.db2.gz	BIYJDZFOZQRVPT-RTXFEEFZSA-N	1	0	358.280	1.248	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC(C)C)NC(C)=O)C[C@H]1C	ZINC001104929165	794442939	/nfs/dbraw/zinc/44/29/39/794442939.db2.gz	HBMXVSWOLJHDQD-QRQLOZEOSA-N	1	0	365.518	1.261	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(N(C)C)cc2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104948585	794525551	/nfs/dbraw/zinc/52/55/51/794525551.db2.gz	DDHOVXONBMHILP-NVXWUHKLSA-N	1	0	371.485	1.080	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1	ZINC000974163470	794579213	/nfs/dbraw/zinc/57/92/13/794579213.db2.gz	SDTGEHAWFSLMMC-RZFLPCETSA-N	1	0	361.486	1.073	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1	ZINC000974181412	794646253	/nfs/dbraw/zinc/64/62/53/794646253.db2.gz	JSDGUVMDWPVIKC-DFGXFYAUSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1	ZINC001112068440	794652135	/nfs/dbraw/zinc/65/21/35/794652135.db2.gz	YYMKUJVECOUTGE-YNEHKIRRSA-N	1	0	368.421	1.366	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2(c3ccccc3)CC2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104980416	794728938	/nfs/dbraw/zinc/72/89/38/794728938.db2.gz	KQZFRSXFBPZTNO-IAGOWNOFSA-N	1	0	368.481	1.432	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1	ZINC000974227459	794838047	/nfs/dbraw/zinc/83/80/47/794838047.db2.gz	MGIPKHPIJRZTHU-SFFUCWETSA-N	1	0	363.502	1.319	20	30		FDEDRO
C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1C	ZINC001105023180	794959103	/nfs/dbraw/zinc/95/91/03/794959103.db2.gz	RSGGZFQWTHULJS-ZACQAIPSSA-N	1	0	371.547	1.499	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2c(C)nn3cccnc23)C[C@H]1C	ZINC001105024643	794963718	/nfs/dbraw/zinc/96/37/18/794963718.db2.gz	DBHAKKUWDWVODN-NVXWUHKLSA-N	1	0	369.469	1.375	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2COCCN2C(C)=O)C[C@H]1C	ZINC001105033513	795012903	/nfs/dbraw/zinc/01/29/03/795012903.db2.gz	ACZWSTJUUDBLJY-NXHRZFHOSA-N	1	0	351.491	1.274	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001105045114	795052702	/nfs/dbraw/zinc/05/27/02/795052702.db2.gz	OMEUQGJOBHRFPQ-IEBWSBKVSA-N	1	0	366.465	1.142	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)COc2cccc(C(N)=O)c2)C[C@H]1C	ZINC001105058913	795091035	/nfs/dbraw/zinc/09/10/35/795091035.db2.gz	DVWCJWAEJQQBEX-NVXWUHKLSA-N	1	0	359.470	1.815	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)COC)C1	ZINC001105064490	795111730	/nfs/dbraw/zinc/11/17/30/795111730.db2.gz	RBSATRPCJXIUKC-OWCLPIDISA-N	1	0	368.522	1.359	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3c(C)nn(C)c3n2)C[C@H]1C	ZINC001105067673	795148092	/nfs/dbraw/zinc/14/80/92/795148092.db2.gz	OOFJGHZDIJDWFT-GDBMZVCRSA-N	1	0	353.470	1.988	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CCCCC(=O)NC)C[C@H]1C	ZINC001105087336	795204739	/nfs/dbraw/zinc/20/47/39/795204739.db2.gz	ZMJGNZFAJXEXMK-IAGOWNOFSA-N	1	0	353.507	1.570	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2C2CC2)C1	ZINC001105090052	795232750	/nfs/dbraw/zinc/23/27/50/795232750.db2.gz	GXXCDCQDXUXAFB-QLFBSQMISA-N	1	0	362.478	1.173	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H]2CCNC(=O)CC2)C1	ZINC001105090166	795233665	/nfs/dbraw/zinc/23/36/65/795233665.db2.gz	LVUBYJHAEPGYIM-FGTMMUONSA-N	1	0	365.518	1.570	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOC[C@@H]2CCCO2)C1	ZINC001105090225	795234189	/nfs/dbraw/zinc/23/41/89/795234189.db2.gz	NAEQXQURYBBHOR-QRVBRYPASA-N	1	0	368.518	1.849	20	30		FDEDRO
N#Cc1ccccc1OC1CCC(NC(=O)NC[C@H]2C[NH2+]C[C@H]2O)CC1	ZINC000417593127	795313629	/nfs/dbraw/zinc/31/36/29/795313629.db2.gz	FPYORCMWPKHECW-RDHHWEPZSA-N	1	0	358.442	1.128	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@H]3CCC[C@H]([NH3+])C3)C2=O)cc1	ZINC000417987959	795447877	/nfs/dbraw/zinc/44/78/77/795447877.db2.gz	GSDLIQHUHDIUSD-BQFCYCMXSA-N	1	0	369.469	1.870	20	30		FDEDRO
Cc1cccc(C[NH+]2CCC(NC(=O)N3CCN(C)[C@@H](C#N)C3)CC2)c1	ZINC000364217861	795472618	/nfs/dbraw/zinc/47/26/18/795472618.db2.gz	PVCKNJDEFYWXHC-IBGZPJMESA-N	1	0	355.486	1.809	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C2CCC(NC(=O)[C@H]3C[C@H]3C(N)=O)CC2)c(F)c1	ZINC001026561570	795547577	/nfs/dbraw/zinc/54/75/77/795547577.db2.gz	JORQIKBTMHRHAX-FJBKBRRZSA-N	1	0	358.417	1.336	20	30		FDEDRO
C#CCN(CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)[C@H]1CCc2ccccc21	ZINC000123915507	795878652	/nfs/dbraw/zinc/87/86/52/795878652.db2.gz	PZKMHJFIQWZIRI-SFHVURJKSA-N	1	0	366.465	1.583	20	30		FDEDRO
CC(C)([NH3+])CNC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000418414105	795890048	/nfs/dbraw/zinc/89/00/48/795890048.db2.gz	KUOLNHLQHBJJJQ-UHFFFAOYSA-N	1	0	352.442	1.675	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@H]3CCCC[N@@H+]3C[C@H]2C)CC1	ZINC000408100239	795932908	/nfs/dbraw/zinc/93/29/08/795932908.db2.gz	VFFWOGUJLWCGNF-QRVBRYPASA-N	1	0	361.534	1.237	20	30		FDEDRO
Cc1onc(CC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1C#N	ZINC000500410147	796092573	/nfs/dbraw/zinc/09/25/73/796092573.db2.gz	RRMQZXOQPPXTDQ-CVEARBPZSA-N	1	0	354.410	1.149	20	30		FDEDRO
C=C(C)Cn1c(-c2ncon2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000909333519	796172034	/nfs/dbraw/zinc/17/20/34/796172034.db2.gz	JECAEAKVNROKQC-AWEZNQCLSA-N	1	0	359.434	1.063	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1	ZINC000980015092	806678451	/nfs/dbraw/zinc/67/84/51/806678451.db2.gz	HIAKBLMLOYGDNS-TXTZMMAHSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCOCCO)C2)CC1	ZINC001112523200	799835796	/nfs/dbraw/zinc/83/57/96/799835796.db2.gz	HPEWMWJWHSHSBB-ICSRJNTNSA-N	1	0	350.503	1.960	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)cc1	ZINC000974590617	799858240	/nfs/dbraw/zinc/85/82/40/799858240.db2.gz	JLMSATKNOUGYJB-RTBURBONSA-N	1	0	363.461	1.437	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(C#N)cc3)C2)C1	ZINC001026852786	800006265	/nfs/dbraw/zinc/00/62/65/800006265.db2.gz	ZOPMVYRWYSLEHA-ZTFGCOKTSA-N	1	0	354.454	1.411	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1ccnc(OC)n1	ZINC001027889473	806823421	/nfs/dbraw/zinc/82/34/21/806823421.db2.gz	AAXYOCBOGRWECZ-ZACQAIPSSA-N	1	0	360.458	1.547	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)c4cc(C)co4)[C@@H]3C2)CC1	ZINC000974834287	800381550	/nfs/dbraw/zinc/38/15/50/800381550.db2.gz	UKXFNZSWXTVZBL-QZTJIDSGSA-N	1	0	369.465	1.606	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N2C[C@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@H]32)CC[N@@H+]1C	ZINC000974873082	800448038	/nfs/dbraw/zinc/44/80/38/800448038.db2.gz	AURVGQLSSYRTSA-KMANFZQXSA-N	1	0	369.469	1.290	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnc(C3CC3)s2)C1	ZINC001027076359	800891070	/nfs/dbraw/zinc/89/10/70/800891070.db2.gz	LQVXFBUIWFYBAX-CFVMTHIKSA-N	1	0	362.499	1.945	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1	ZINC000660705796	801180539	/nfs/dbraw/zinc/18/05/39/801180539.db2.gz	FUWZTTPTJNRHBG-MRXNPFEDSA-N	1	0	372.469	1.750	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@H](C)C(C)C)[C@@H]3C2)CC1	ZINC000975333980	801189104	/nfs/dbraw/zinc/18/91/04/801189104.db2.gz	RMEGGLBLSAYOQA-BHIYHBOVSA-N	1	0	359.514	1.683	20	30		FDEDRO
C=CC[C@]1(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCOCC2)CCC[NH2+]1	ZINC000662662007	806932245	/nfs/dbraw/zinc/93/22/45/806932245.db2.gz	LRLKFRKCYODPEQ-TZIWHRDSSA-N	1	0	373.497	1.883	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21	ZINC000975639284	801811792	/nfs/dbraw/zinc/81/17/92/801811792.db2.gz	PIYFBGNGMVWSTK-UAGQMJEPSA-N	1	0	355.442	1.044	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21	ZINC000975722473	802079091	/nfs/dbraw/zinc/07/90/91/802079091.db2.gz	WGXARDNPHXRZLR-IKGGRYGDSA-N	1	0	360.502	1.860	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@@H]3CCN(C(=O)C[NH+]4CCCC4)C[C@@H]32)[nH]1	ZINC000975716807	802111479	/nfs/dbraw/zinc/11/14/79/802111479.db2.gz	SDGTXPYAYULLEF-YOEHRIQHSA-N	1	0	355.442	1.045	20	30		FDEDRO
C[N@H+](CC(=O)N1CC[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@H]2C1)C1CCC1	ZINC000975768997	802298349	/nfs/dbraw/zinc/29/83/49/802298349.db2.gz	SYJOPDYHKHJLRO-YJBOKZPZSA-N	1	0	369.469	1.434	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]3C2)nc1	ZINC000975833111	802545860	/nfs/dbraw/zinc/54/58/60/802545860.db2.gz	GLKWSVHYJDWUGQ-WDSOQIARSA-N	1	0	368.481	1.466	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1	ZINC000661180415	802946544	/nfs/dbraw/zinc/94/65/44/802946544.db2.gz	PLISCGMINAGDBB-HDICACEKSA-N	1	0	369.465	1.528	20	30		FDEDRO
C=CC[C@]1(C(=O)Nc2cccc(CC(=O)N3CCN(C)CC3)c2)CCC[NH2+]1	ZINC000662752887	803060318	/nfs/dbraw/zinc/06/03/18/803060318.db2.gz	UZNIAHYEQJFFIY-OAQYLSRUSA-N	1	0	370.497	1.640	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)CCC[NH2+]1	ZINC000662787547	803254172	/nfs/dbraw/zinc/25/41/72/803254172.db2.gz	CFRARHNACGMJEF-FQEVSTJZSA-N	1	0	367.453	1.546	20	30		FDEDRO
C=CC[C@@]1(C(=O)N[C@H](C)CS(=O)(=O)c2ccc(C)cc2)CCC[NH2+]1	ZINC000662794496	803292382	/nfs/dbraw/zinc/29/23/82/803292382.db2.gz	QTHXCSHDTGCTAP-QAPCUYQASA-N	1	0	350.484	1.972	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2cnc(C)[nH]2)CC1	ZINC000976406306	803324926	/nfs/dbraw/zinc/32/49/26/803324926.db2.gz	NPXJCKXTULWDMT-IAGOWNOFSA-N	1	0	371.485	1.221	20	30		FDEDRO
C=CC[C@@]1(C(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)CCC[NH2+]1	ZINC000662808279	803390030	/nfs/dbraw/zinc/39/00/30/803390030.db2.gz	SOOWDLGTECNHRU-SFHVURJKSA-N	1	0	355.446	1.496	20	30		FDEDRO
C=CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000661380981	803435247	/nfs/dbraw/zinc/43/52/47/803435247.db2.gz	SFPXHKWMSNQENL-UONOGXRCSA-N	1	0	351.472	1.949	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC(C)(C)C1)C2	ZINC001112525487	803537321	/nfs/dbraw/zinc/53/73/21/803537321.db2.gz	VXRGJKSFJPJZPH-FIKGOQFSSA-N	1	0	359.514	1.780	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)nc1	ZINC000976765431	803896480	/nfs/dbraw/zinc/89/64/80/803896480.db2.gz	ALCOSRYRIFIIKP-VDHUWJSZSA-N	1	0	368.481	1.560	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1	ZINC000976897380	804038269	/nfs/dbraw/zinc/03/82/69/804038269.db2.gz	FWFZBDPQGLSOPI-FQBWVUSXSA-N	1	0	371.525	1.587	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2CC[NH+](C)CC2)cn1	ZINC000976897759	804041208	/nfs/dbraw/zinc/04/12/08/804041208.db2.gz	LBWIKHLRNAJHAT-RTBURBONSA-N	1	0	368.481	1.562	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1	ZINC000423173008	814988025	/nfs/dbraw/zinc/98/80/25/814988025.db2.gz	WLORLAILFDQRJO-OAHLLOKOSA-N	1	0	359.470	1.796	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N(C)CC(C)(C)C[NH3+]	ZINC000423203803	815000332	/nfs/dbraw/zinc/00/03/32/815000332.db2.gz	ABDZYAYSCDAWOJ-UHFFFAOYSA-N	1	0	362.430	1.553	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1	ZINC000423205529	815000480	/nfs/dbraw/zinc/00/04/80/815000480.db2.gz	BWIJEIFQSAMXKX-UHFFFAOYSA-N	1	0	360.414	1.320	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[N@@H+](CCc2cnn(C)c2)CC1(C)C	ZINC000977321056	804752444	/nfs/dbraw/zinc/75/24/44/804752444.db2.gz	XPNGBQAAIBDRIC-BZSNNMDCSA-N	1	0	360.502	1.770	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H](CNc2ccnc(C#N)n2)C(C)(C)C)CC[N@@H+]1C	ZINC001126130407	804772353	/nfs/dbraw/zinc/77/23/53/804772353.db2.gz	QDOCMBARLPPISH-RRFJBIMHSA-N	1	0	358.490	1.443	20	30		FDEDRO
C=CCOCCCC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1	ZINC000663018029	804901465	/nfs/dbraw/zinc/90/14/65/804901465.db2.gz	MTGCJEXNCJZNPE-INIZCTEOSA-N	1	0	361.490	1.508	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]2CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1	ZINC000977799755	804958049	/nfs/dbraw/zinc/95/80/49/804958049.db2.gz	ODBSQWMZWQYXKJ-ZTFGCOKTSA-N	1	0	354.454	1.076	20	30		FDEDRO
C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1	ZINC001027573919	805062112	/nfs/dbraw/zinc/06/21/12/805062112.db2.gz	KNMKBFXBOACAMG-KSZLIROESA-N	1	0	363.502	1.655	20	30		FDEDRO
C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC001027578892	805103806	/nfs/dbraw/zinc/10/38/06/805103806.db2.gz	XARNNTAQUSKEDD-QYZOEREBSA-N	1	0	368.481	1.883	20	30		FDEDRO
C[N@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001027579211	805107779	/nfs/dbraw/zinc/10/77/79/805107779.db2.gz	CWDWRZBBFBNXHF-OAGGEKHMSA-N	1	0	358.417	1.242	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2	ZINC000978068168	805156308	/nfs/dbraw/zinc/15/63/08/805156308.db2.gz	LZYXVNQSJZNBOS-ULQDDVLXSA-N	1	0	361.486	1.123	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cnc(C)nc3)C[C@H]21	ZINC000978164974	805230553	/nfs/dbraw/zinc/23/05/53/805230553.db2.gz	GPXPFBVCDYTZRM-QQXKLLMISA-N	1	0	356.470	1.560	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C)O2)C[C@H]1c1ccccc1	ZINC001211676831	805286096	/nfs/dbraw/zinc/28/60/96/805286096.db2.gz	SOSHIFHJZURQQR-QXCFHYIPSA-N	1	0	371.481	1.440	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3OCCO[C@@H]3c3ccccc3)[C@@H]2C1	ZINC000978282415	805333836	/nfs/dbraw/zinc/33/38/36/805333836.db2.gz	MYLBPAUAYAIJFR-OUUBHVDSSA-N	1	0	354.450	1.460	20	30		FDEDRO
C#CCN(Cc1ccc(F)cc1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1	ZINC000104800637	805354662	/nfs/dbraw/zinc/35/46/62/805354662.db2.gz	STMMNYFRCCQMEN-KRWDZBQOSA-N	1	0	374.460	1.558	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CCN(C)C2=O)C1	ZINC001087430586	807059354	/nfs/dbraw/zinc/05/93/54/807059354.db2.gz	XCFDEQOSLFCXDI-XUVXKRRUSA-N	1	0	367.493	1.852	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1	ZINC000980581180	807083639	/nfs/dbraw/zinc/08/36/39/807083639.db2.gz	MZEAAKPQAWRNNH-ZKXLYKBJSA-N	1	0	363.502	1.463	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1	ZINC001087431231	807188110	/nfs/dbraw/zinc/18/81/10/807188110.db2.gz	FNYSCJVNKDTNOO-IPMKNSEASA-N	1	0	353.466	1.510	20	30		FDEDRO
C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1	ZINC000423533061	815105570	/nfs/dbraw/zinc/10/55/70/815105570.db2.gz	WOACXADLYWLPJY-ABSDTBQOSA-N	1	0	354.454	1.482	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C[C@@H]1C[NH3+]	ZINC000423561437	815118295	/nfs/dbraw/zinc/11/82/95/815118295.db2.gz	PLWZSIDWCYMKBH-BEFAXECRSA-N	1	0	366.465	1.617	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3cnc(C)[nH]3)C2)CC1	ZINC000981046463	807485152	/nfs/dbraw/zinc/48/51/52/807485152.db2.gz	SQFXKJKLLQPISD-DOTOQJQBSA-N	1	0	371.485	1.078	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@]2(C)CNC(=O)C2)C1	ZINC001087433506	807595270	/nfs/dbraw/zinc/59/52/70/807595270.db2.gz	UPESPNQNFSBREF-DBXWQHBBSA-N	1	0	353.466	1.510	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1	ZINC000981177697	807654299	/nfs/dbraw/zinc/65/42/99/807654299.db2.gz	HGNTUBWULFRSHD-HDMKZQKVSA-N	1	0	371.485	1.775	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C2CC2)cc1	ZINC000423573006	815142082	/nfs/dbraw/zinc/14/20/82/815142082.db2.gz	QPKNEXJBIHAOCV-DLBZAZTESA-N	1	0	352.438	1.117	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000981463539	808063399	/nfs/dbraw/zinc/06/33/99/808063399.db2.gz	QNVMOJXQZSHGMG-HLPPOEQASA-N	1	0	357.458	1.241	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1	ZINC000981549077	808133098	/nfs/dbraw/zinc/13/30/98/808133098.db2.gz	JEBUFLANLMRDOG-LESCRADOSA-N	1	0	371.485	1.775	20	30		FDEDRO
C[C@H]([NH3+])C1CCN(C(=O)C(=O)N(C)CCOCc2ccc(C#N)cc2)CC1	ZINC000423658616	815187613	/nfs/dbraw/zinc/18/76/13/815187613.db2.gz	DFXVIFUCRYCLFJ-HNNXBMFYSA-N	1	0	372.469	1.119	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)c1	ZINC000981686272	808342322	/nfs/dbraw/zinc/34/23/22/808342322.db2.gz	HGWUTYHFULVVTH-UHOSZYNNSA-N	1	0	368.481	1.562	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000652677338	808348149	/nfs/dbraw/zinc/34/81/49/808348149.db2.gz	YGBYEMKHUIMVIJ-QAETUUGQSA-N	1	0	351.491	1.592	20	30		FDEDRO
C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CC3(C2)CCCN(CC#N)C3)CC1	ZINC000981775103	808469823	/nfs/dbraw/zinc/46/98/23/808469823.db2.gz	SNFHKCCRUPQVFO-MSOLQXFVSA-N	1	0	360.502	1.181	20	30		FDEDRO
COc1cccc(C(=O)N2CCC(NC3(C#N)CC[NH+](C)CC3)CC2)c1	ZINC001167862811	808857699	/nfs/dbraw/zinc/85/76/99/808857699.db2.gz	WGSYASBYQHZRHZ-UHFFFAOYSA-N	1	0	356.470	1.877	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCN(C(=O)CC)C2)C[C@H]1c1ccccc1	ZINC001211702951	808880229	/nfs/dbraw/zinc/88/02/29/808880229.db2.gz	MRPPSWODGRGUSS-HSALFYBXSA-N	1	0	367.493	1.852	20	30		FDEDRO
CC1(CCC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(=O)NCC#N)C2)CC1	ZINC001211703128	808910356	/nfs/dbraw/zinc/91/03/56/808910356.db2.gz	WKJSRNSNSYQRFK-ZWKOTPCHSA-N	1	0	368.481	1.791	20	30		FDEDRO
C[C@H](O)C[NH+]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1	ZINC000279429287	808988344	/nfs/dbraw/zinc/98/83/44/808988344.db2.gz	PZEBNBVIMOFUJE-INIZCTEOSA-N	1	0	354.458	1.357	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CN2CC(=O)NC2=O)C1	ZINC001087439520	809102804	/nfs/dbraw/zinc/10/28/04/809102804.db2.gz	BULFPMFYNSFGEH-IAGOWNOFSA-N	1	0	370.453	1.089	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1	ZINC000418663214	809116764	/nfs/dbraw/zinc/11/67/64/809116764.db2.gz	GCIWCNWNKGUQDI-MJGOQNOKSA-N	1	0	374.485	1.667	20	30		FDEDRO
COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)NCC2(CC#N)CC2)cc1	ZINC000418836262	809256539	/nfs/dbraw/zinc/25/65/39/809256539.db2.gz	UJBBZWCDFUECPW-SJORKVTESA-N	1	0	370.453	1.067	20	30		FDEDRO
CCn1nc(C)cc1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#CCOC)C1	ZINC001112534506	809263332	/nfs/dbraw/zinc/26/33/32/809263332.db2.gz	PFYCWBBSEOEPRJ-PXNSSMCTSA-N	1	0	358.486	1.693	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C(=O)Nc2cc(C)on2)C[C@H]1c1ccccc1	ZINC001211723455	809318655	/nfs/dbraw/zinc/31/86/55/809318655.db2.gz	VZJSGVVVYZZQLO-DLBZAZTESA-N	1	0	366.421	1.529	20	30		FDEDRO
C[NH+]=C(NCC(=O)N1CCc2ccccc2C1)N1CC[C@]2(CCOC2)C1	ZINC000261663587	809331937	/nfs/dbraw/zinc/33/19/37/809331937.db2.gz	BDAUYOFYOGVJGW-FQEVSTJZSA-N	1	0	356.470	1.259	20	30		FDEDRO
C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1	ZINC000419005380	809380451	/nfs/dbraw/zinc/38/04/51/809380451.db2.gz	PHADLOQENLYGDL-QWHCGFSZSA-N	1	0	355.398	1.906	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)CCOC)C[C@H]1c1ccccc1	ZINC001211725955	809386449	/nfs/dbraw/zinc/38/64/49/809386449.db2.gz	BKGQGORNKLQJQX-YSIASYRMSA-N	1	0	358.482	1.893	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCS2(=O)=O)C[C@H]1c1ccccc1	ZINC001211726130	809392025	/nfs/dbraw/zinc/39/20/25/809392025.db2.gz	LYLMPBRJJJMCSS-RCCFBDPRSA-N	1	0	360.479	1.171	20	30		FDEDRO
C[NH2+][C@@H]1CCN(C(=O)C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1	ZINC000419026236	809420706	/nfs/dbraw/zinc/42/07/06/809420706.db2.gz	BHKIWDKJSNLIBA-AQFXKWCLSA-N	1	0	370.453	1.185	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000419119643	809574640	/nfs/dbraw/zinc/57/46/40/809574640.db2.gz	SHPDMACNXXCXTC-TZMCWYRMSA-N	1	0	367.371	1.369	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc2)C[C@H](C)O1	ZINC000424100363	815307345	/nfs/dbraw/zinc/30/73/45/815307345.db2.gz	KNNMZVTWKFEKRU-VBQJREDUSA-N	1	0	358.442	1.896	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCN2C(C)=O)C1	ZINC001087442060	809683602	/nfs/dbraw/zinc/68/36/02/809683602.db2.gz	OWKDJCLOLSXMTK-NJYVYQBISA-N	1	0	367.493	1.995	20	30		FDEDRO
CC(C)(C(=O)N1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1)c1ccccc1	ZINC000424096882	815310571	/nfs/dbraw/zinc/31/05/71/815310571.db2.gz	YVUMQNOHKLTIAZ-KRWDZBQOSA-N	1	0	356.470	1.656	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(C(N)=O)n2)C[C@H]1c1ccccc1	ZINC001211732621	809811247	/nfs/dbraw/zinc/81/12/47/809811247.db2.gz	RBCYDQGMYYFARB-QFBILLFUSA-N	1	0	362.433	1.402	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1	ZINC001087445318	809837944	/nfs/dbraw/zinc/83/79/44/809837944.db2.gz	HFQUTWITRDCJPL-KZNAEPCWSA-N	1	0	369.465	1.590	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COC[C@@H]2CCCO2)C[C@H]1c1ccccc1	ZINC001211738875	809934313	/nfs/dbraw/zinc/93/43/13/809934313.db2.gz	WVDLMGLOOSVXFS-SLFFLAALSA-N	1	0	356.466	1.790	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC[N@@H+]1C	ZINC000332922035	809946369	/nfs/dbraw/zinc/94/63/69/809946369.db2.gz	CXUYUPKXHGASKB-NEWSRXKRSA-N	1	0	355.486	1.889	20	30		FDEDRO
C#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1	ZINC001087454030	810041247	/nfs/dbraw/zinc/04/12/47/810041247.db2.gz	XTWCEIDGBYKGMD-KBAYOESNSA-N	1	0	357.429	1.259	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cn2nccn2)C1	ZINC001087455851	810077688	/nfs/dbraw/zinc/07/76/88/810077688.db2.gz	QRDMBBJTFXJIDH-QZTJIDSGSA-N	1	0	357.433	1.968	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H]([C@H]2CCCO2)C2(CO)CCC2)CC1	ZINC000664019179	810172942	/nfs/dbraw/zinc/17/29/42/810172942.db2.gz	ICIXZCGNKYPHFT-IAGOWNOFSA-N	1	0	351.491	1.646	20	30		FDEDRO
C[C@@H]1COCC[C@H]1[NH2+]CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000433153055	810228747	/nfs/dbraw/zinc/22/87/47/810228747.db2.gz	UXFQBPISNITFBU-LZQZEXGQSA-N	1	0	374.460	1.549	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@]2(C)CCNC2=O)C1	ZINC001087458218	810262535	/nfs/dbraw/zinc/26/25/35/810262535.db2.gz	PYUQANBTZTZGGF-OPYAIIAOSA-N	1	0	371.456	1.649	20	30		FDEDRO
C#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCCN2C(C)=O)C1	ZINC001087459477	810497842	/nfs/dbraw/zinc/49/78/42/810497842.db2.gz	GWFGDCKKJYGNSA-AQNXPRMDSA-N	1	0	371.456	1.744	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cc2nc[nH]n2)C1	ZINC001087459570	810503130	/nfs/dbraw/zinc/50/31/30/810503130.db2.gz	LHYXTCMWEXZGGD-IAGOWNOFSA-N	1	0	355.417	1.484	20	30		FDEDRO
C=CCn1cc(CNC(=O)C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)nn1	ZINC000424538499	815382757	/nfs/dbraw/zinc/38/27/57/815382757.db2.gz	DDKPLVAZIVDATP-QGZVFWFLSA-N	1	0	370.457	1.020	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)C1	ZINC001028543871	810629238	/nfs/dbraw/zinc/62/92/38/810629238.db2.gz	UZPYICVVYOYCQE-NZSAHSFTSA-N	1	0	353.466	1.391	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CC[C@@](C(=O)NC)(C(F)(F)F)C2)CC1	ZINC000645232930	810644424	/nfs/dbraw/zinc/64/44/24/810644424.db2.gz	ZAYYXDGKMQAQMW-OAHLLOKOSA-N	1	0	362.396	1.347	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)C4C(C)(C)C4(C)C)[C@@H]3C2)C1=O	ZINC001075653961	810800360	/nfs/dbraw/zinc/80/03/60/810800360.db2.gz	AZRBWJDYERTNEV-HRCADAONSA-N	1	0	359.514	1.988	20	30		FDEDRO
C#CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CN2CCCC2=O)C1	ZINC001087462686	810829467	/nfs/dbraw/zinc/82/94/67/810829467.db2.gz	XBASTDWJEKOTMN-QZTJIDSGSA-N	1	0	357.429	1.355	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3CN(CC(=O)NC4CCCCC4)C[C@H]32)c1	ZINC001075657080	810893569	/nfs/dbraw/zinc/89/35/69/810893569.db2.gz	LXDSGDUHCOOTEC-MAUKXSAKSA-N	1	0	369.469	1.482	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@@H+](C[C@H](O)c4ccccc4F)C[C@H]32)c1	ZINC001075658430	810907710	/nfs/dbraw/zinc/90/77/10/810907710.db2.gz	BRJARDYZKWDVNO-KYNGSXCRSA-N	1	0	368.412	1.905	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)C4CC(F)(F)C4)[C@@H]3C2)C1=O	ZINC001075673191	811218308	/nfs/dbraw/zinc/21/83/08/811218308.db2.gz	XTHSLCYAZYPZPX-NWANDNLSSA-N	1	0	353.413	1.351	20	30		FDEDRO
C[C@H](NC(=[NH2+])N1CCN(c2ncccn2)CC1)c1ccc([S@](C)=O)cc1	ZINC000261789531	811320850	/nfs/dbraw/zinc/32/08/50/811320850.db2.gz	QSZJSZKAYHBVJT-RXBISOJRSA-N	1	0	372.498	1.412	20	30		FDEDRO
C[NH+]=C(NCc1ccc2c(c1)OCO2)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000261873344	811336351	/nfs/dbraw/zinc/33/63/51/811336351.db2.gz	ZZULRPQDIBOSHD-INIZCTEOSA-N	1	0	360.458	1.145	20	30		FDEDRO
Cc1nnc(CNC(N[C@H]2CCc3nnc(C(C)C)n3C2)=[NH+]C2CC2)n1C	ZINC000261937839	811347436	/nfs/dbraw/zinc/34/74/36/811347436.db2.gz	CXAXFGXFLFPMJL-AWEZNQCLSA-N	1	0	371.493	1.051	20	30		FDEDRO
C[NH+]=C(NCC1(C(=O)N(C)C)CCCC1)N1CC[C@H](C)[C@H](n2ccnc2)C1	ZINC000261946099	811350413	/nfs/dbraw/zinc/35/04/13/811350413.db2.gz	FZOVZHPENSMMNH-DLBZAZTESA-N	1	0	374.533	1.990	20	30		FDEDRO
CNC(=O)c1cccc(CNC(=[NH+]C)N2CC[C@H](Oc3ccccn3)C2)c1	ZINC000261961024	811354442	/nfs/dbraw/zinc/35/44/42/811354442.db2.gz	KEWHHBITDDKXID-KRWDZBQOSA-N	1	0	367.453	1.670	20	30		FDEDRO
C[NH+]=C(NCCNC(=O)c1cccnc1)N[C@@H]1CCc2ccccc2C1	ZINC000262290074	811433596	/nfs/dbraw/zinc/43/35/96/811433596.db2.gz	YHPWKCVRUDGQQX-GOSISDBHSA-N	1	0	351.454	1.534	20	30		FDEDRO
C[NH+]=C(NCCNC(=O)c1cccnc1)N[C@H]1CCc2ccccc2C1	ZINC000262290076	811434038	/nfs/dbraw/zinc/43/40/38/811434038.db2.gz	YHPWKCVRUDGQQX-SFHVURJKSA-N	1	0	351.454	1.534	20	30		FDEDRO
CC(C)(C)Oc1ccc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)cn1	ZINC000262288453	811434113	/nfs/dbraw/zinc/43/41/13/811434113.db2.gz	GJOLTJHWLZIJBP-UHFFFAOYSA-N	1	0	369.473	1.686	20	30		FDEDRO
C[C@]1(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)OCCc2sccc21	ZINC000262415986	811462259	/nfs/dbraw/zinc/46/22/59/811462259.db2.gz	YZYJGXRETVKZKG-GOSISDBHSA-N	1	0	372.498	1.463	20	30		FDEDRO
C[NH+]=C(NCc1nncn1-c1ccccc1)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000262457183	811472077	/nfs/dbraw/zinc/47/20/77/811472077.db2.gz	LMCIINXBNYSUIM-OAHLLOKOSA-N	1	0	364.457	1.566	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCCCC2)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000262459208	811472874	/nfs/dbraw/zinc/47/28/74/811472874.db2.gz	LYMYPEGCWXQZTO-CQSZACIVSA-N	1	0	356.478	1.303	20	30		FDEDRO
CC[NH+]=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncccn2)CC1	ZINC000262596915	811504624	/nfs/dbraw/zinc/50/46/24/811504624.db2.gz	WZZBXBUTOWSXIZ-UHFFFAOYSA-N	1	0	368.441	1.493	20	30		FDEDRO
CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CSCC#N)C1	ZINC001111600856	811507363	/nfs/dbraw/zinc/50/73/63/811507363.db2.gz	AHMNDWWKPSNEIN-VKJFTORMSA-N	1	0	366.531	1.469	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)NCC[N@H+]3CC=CCC3)C2=O)cc1	ZINC000280498307	811836533	/nfs/dbraw/zinc/83/65/33/811836533.db2.gz	FVHBYHOFJBPMFM-SFHVURJKSA-N	1	0	367.453	1.615	20	30		FDEDRO
N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NCC1CC[NH+](CCO)CC1	ZINC000419466398	811976977	/nfs/dbraw/zinc/97/69/77/811976977.db2.gz	VSTKUUWIRBOAFE-IBGZPJMESA-N	1	0	356.470	1.939	20	30		FDEDRO
N#Cc1ccccc1-c1ccc(CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)cc1	ZINC000419632159	812053999	/nfs/dbraw/zinc/05/39/99/812053999.db2.gz	FSNZNPUXBWGJEK-GOSISDBHSA-N	1	0	362.433	1.710	20	30		FDEDRO
CC(C)([NH3+])CNC(=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1	ZINC000419611154	812056916	/nfs/dbraw/zinc/05/69/16/812056916.db2.gz	BJJIJYANKAJSOV-UHFFFAOYSA-N	1	0	350.422	1.695	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]C3)CC2)cc1	ZINC000419852293	812251326	/nfs/dbraw/zinc/25/13/26/812251326.db2.gz	CMJGOQNNILRCHD-MRXNPFEDSA-N	1	0	352.438	1.290	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CCC[C@H]1C[NH3+]	ZINC000420035461	813404860	/nfs/dbraw/zinc/40/48/60/813404860.db2.gz	IFDFEZVMDKRUHG-MLHJIOFPSA-N	1	0	354.454	1.528	20	30		FDEDRO
CC1(CNC(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC[NH2+]CC1	ZINC000420068946	813434477	/nfs/dbraw/zinc/43/44/77/813434477.db2.gz	AOACKEAOPVUSIV-UHFFFAOYSA-N	1	0	366.465	1.680	20	30		FDEDRO
C=CCCCCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1	ZINC000420085253	813444941	/nfs/dbraw/zinc/44/49/41/813444941.db2.gz	AWBMVDFOVSHDHB-YOEHRIQHSA-N	1	0	365.424	1.999	20	30		FDEDRO
C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000420102155	813457661	/nfs/dbraw/zinc/45/76/61/813457661.db2.gz	NJTSGGGSHAKVPR-KBXCAEBGSA-N	1	0	370.453	1.042	20	30		FDEDRO
CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000420123860	813485550	/nfs/dbraw/zinc/48/55/50/813485550.db2.gz	NYZYDTOPSQONTM-INIZCTEOSA-N	1	0	372.469	1.562	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1	ZINC000420141317	813501679	/nfs/dbraw/zinc/50/16/79/813501679.db2.gz	ZFADJSIWWXCRPR-DZGCQCFKSA-N	1	0	360.414	1.366	20	30		FDEDRO
CN(C)c1cnc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cn1	ZINC000501630569	813569446	/nfs/dbraw/zinc/56/94/46/813569446.db2.gz	XPZJECMUOHGHJQ-UHFFFAOYSA-N	1	0	364.453	1.831	20	30		FDEDRO
Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCc2c1cccc2C#N	ZINC000420730076	813790290	/nfs/dbraw/zinc/79/02/90/813790290.db2.gz	QVWVEBJDFMLSNF-UHFFFAOYSA-N	1	0	373.482	1.685	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1	ZINC000421292799	814077809	/nfs/dbraw/zinc/07/78/09/814077809.db2.gz	BVFMUJJUWHXGTF-MRXNPFEDSA-N	1	0	358.442	1.094	20	30		FDEDRO
CC(C)(CC#N)CNC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1	ZINC000421395923	814132273	/nfs/dbraw/zinc/13/22/73/814132273.db2.gz	ATHWIUJDHFFXOK-UHFFFAOYSA-N	1	0	374.460	1.962	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCCC[C@@H]1C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1	ZINC000261846530	814233068	/nfs/dbraw/zinc/23/30/68/814233068.db2.gz	XJXBUYJITDDMDU-NJSLBKSFSA-N	1	0	363.506	1.698	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cn1	ZINC000983054450	814233077	/nfs/dbraw/zinc/23/30/77/814233077.db2.gz	OZCUREYNOWFNNL-ZYSHUDEJSA-N	1	0	368.481	1.372	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)NCC[NH+]3CCCCC3)C2=O)cc1	ZINC000502852375	814291975	/nfs/dbraw/zinc/29/19/75/814291975.db2.gz	DZCMNOFZRYEHAP-SFHVURJKSA-N	1	0	369.469	1.839	20	30		FDEDRO
CCn1cnc2c(c1=O)CC[N@H+](CCC(=O)Nc1cccc(C#N)c1)C2	ZINC000502854350	814293656	/nfs/dbraw/zinc/29/36/56/814293656.db2.gz	DVEZINDPJINPLN-UHFFFAOYSA-N	1	0	351.410	1.522	20	30		FDEDRO
C[N@H+]1CC=C(CNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1	ZINC000271856385	814498667	/nfs/dbraw/zinc/49/86/67/814498667.db2.gz	HUSRDPCWGFTFGU-UHFFFAOYSA-N	1	0	356.426	1.686	20	30		FDEDRO
Cc1cc(C2CC[NH+](CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2)[nH]n1	ZINC000273040566	814786227	/nfs/dbraw/zinc/78/62/27/814786227.db2.gz	WOVACLVVVPUCCN-IBGZPJMESA-N	1	0	372.517	1.590	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1	ZINC000422313484	814807341	/nfs/dbraw/zinc/80/73/41/814807341.db2.gz	DPEHDGFBRUUSCV-INIZCTEOSA-N	1	0	359.470	1.716	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C(C)(C)COC)C[C@H]1C(F)(F)F	ZINC001112131092	814819005	/nfs/dbraw/zinc/81/90/05/814819005.db2.gz	JNTKNMMHKONTSK-CHWSQXEVSA-N	1	0	352.397	1.841	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1	ZINC001028710264	814832264	/nfs/dbraw/zinc/83/22/64/814832264.db2.gz	SXEBCKJDVRVFDP-QRVBRYPASA-N	1	0	365.518	1.271	20	30		FDEDRO
N#Cc1cccc(NC(=O)CC[NH+]2CCC([C@H](O)C(=O)NC3CC3)CC2)c1	ZINC000434724741	815720650	/nfs/dbraw/zinc/72/06/50/815720650.db2.gz	GHHNKNNUGWTPAX-IBGZPJMESA-N	1	0	370.453	1.238	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)s1	ZINC001028805000	815730206	/nfs/dbraw/zinc/73/02/06/815730206.db2.gz	FPGCAHHQICEGSO-MJBXVCDLSA-N	1	0	360.483	1.459	20	30		FDEDRO
NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)C1	ZINC001028804821	815740062	/nfs/dbraw/zinc/74/00/62/815740062.db2.gz	AXSBBDXZFKLDPU-QRVBRYPASA-N	1	0	353.466	1.378	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)NCC1([NH+]2CCSCC2)CCCCC1	ZINC000645284679	815761575	/nfs/dbraw/zinc/76/15/75/815761575.db2.gz	VPMCVSBEYQTZOB-MRXNPFEDSA-N	1	0	353.532	1.812	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(C(N)=O)c2)C1	ZINC001028808900	815788141	/nfs/dbraw/zinc/78/81/41/815788141.db2.gz	GXZLAIDRRKMYCU-JQHSSLGASA-N	1	0	357.454	1.315	20	30		FDEDRO
CC[NH+]1CCN(CCCNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1	ZINC000505554527	815819405	/nfs/dbraw/zinc/81/94/05/815819405.db2.gz	ZMEQNRCEJOLPON-UHFFFAOYSA-N	1	0	358.461	1.873	20	30		FDEDRO
CNC(=O)N[C@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1	ZINC000434981443	815867884	/nfs/dbraw/zinc/86/78/84/815867884.db2.gz	JTSRVLNTPWQRHU-INIZCTEOSA-N	1	0	353.430	1.362	20	30		FDEDRO
N#CCCn1cc(C[NH+]2CCC(CC(N)=O)CC2)c(-c2ccncc2)n1	ZINC000435134906	815920314	/nfs/dbraw/zinc/92/03/14/815920314.db2.gz	KSLDXXIVGBTJOM-UHFFFAOYSA-N	1	0	352.442	1.946	20	30		FDEDRO
CC(=O)N1CCN(C(=O)C2CC[NH+](Cc3ccc(CC#N)cc3)CC2)CC1	ZINC000425496350	816385830	/nfs/dbraw/zinc/38/58/30/816385830.db2.gz	UUPPVYBCUFJPOJ-UHFFFAOYSA-N	1	0	368.481	1.655	20	30		FDEDRO
C[NH+]=C(NCC1Cc2ccccc2C1)N[C@H]1CCc2nc(COC)nn2C1	ZINC000261933202	816396374	/nfs/dbraw/zinc/39/63/74/816396374.db2.gz	BVPNYVHRIKXMBP-KRWDZBQOSA-N	1	0	368.485	1.319	20	30		FDEDRO
C=CCn1cc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)nn1	ZINC000425541684	816488514	/nfs/dbraw/zinc/48/85/14/816488514.db2.gz	PWLNUMNJNCVHRY-QAPCUYQASA-N	1	0	354.458	1.926	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3C)C2)CC1	ZINC000516117922	816639339	/nfs/dbraw/zinc/63/93/39/816639339.db2.gz	QJRKGQSKTQOXHE-SFHVURJKSA-N	1	0	365.485	1.570	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000425642134	816767040	/nfs/dbraw/zinc/76/70/40/816767040.db2.gz	FJIQCOZBAINRQO-OTWHNJEPSA-N	1	0	359.470	1.778	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1	ZINC000437023571	816860827	/nfs/dbraw/zinc/86/08/27/816860827.db2.gz	IQSTXRGHQCLXBK-SJLPKXTDSA-N	1	0	359.470	1.827	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NCC3([NH+](C)C)CCOCC3)cc2C1=O	ZINC000506022964	817000714	/nfs/dbraw/zinc/00/07/14/817000714.db2.gz	QKWZNMWYBPPFPB-UHFFFAOYSA-N	1	0	371.437	1.309	20	30		FDEDRO
C=CCN(C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[C@H](C)COC	ZINC000664624980	817025893	/nfs/dbraw/zinc/02/58/93/817025893.db2.gz	JHDOFYRVIVOOFL-VQIMIIECSA-N	1	0	361.486	1.986	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000425891381	817330066	/nfs/dbraw/zinc/33/00/66/817330066.db2.gz	OZQBZLLDPWPXAF-HPFXQQBRSA-N	1	0	363.502	1.463	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N(C)[C@H](C)c1cccc(C#N)c1)C1=CC[N@H+](C)CC1	ZINC000425908166	817347921	/nfs/dbraw/zinc/34/79/21/817347921.db2.gz	GAERVPQDCXONSQ-HUUCEWRRSA-N	1	0	354.454	1.844	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCN(C)CC2)C1	ZINC000366682827	817439923	/nfs/dbraw/zinc/43/99/23/817439923.db2.gz	ZLNKPPWMSXEMHC-OTWHNJEPSA-N	1	0	364.534	1.637	20	30		FDEDRO
CCc1nc(CN2C[C@@H]3C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C[C@@H]3C2)no1	ZINC000366690937	817529101	/nfs/dbraw/zinc/52/91/01/817529101.db2.gz	BFWGOJBAYONJJK-ZRGWGRIASA-N	1	0	374.489	1.050	20	30		FDEDRO
C=C(C)CN(CC)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000517916808	817631878	/nfs/dbraw/zinc/63/18/78/817631878.db2.gz	SULSCJOUZKNZHL-UHFFFAOYSA-N	1	0	360.506	1.986	20	30		FDEDRO
COc1c(F)cc(F)cc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000438750553	817698501	/nfs/dbraw/zinc/69/85/01/817698501.db2.gz	CHXPXAXKVBWKEP-UHFFFAOYSA-N	1	0	368.384	1.606	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cn(C)c(=O)[nH]2)C1	ZINC001087467040	817717439	/nfs/dbraw/zinc/71/74/39/817717439.db2.gz	BBUBOYUQWBLISJ-IAGOWNOFSA-N	1	0	370.428	1.876	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CCC(OCCC[NH3+])CC3)cc2C1=O	ZINC000429607953	817726421	/nfs/dbraw/zinc/72/64/21/817726421.db2.gz	FNERGLQZFWAWRC-UHFFFAOYSA-N	1	0	371.437	1.439	20	30		FDEDRO
C[NH+]=C(NCCNC(=O)Cc1cccc(F)c1)N1CC[C@]2(CCOC2)C1	ZINC000261960970	817799535	/nfs/dbraw/zinc/79/95/35/817799535.db2.gz	KDBVZGZESTTYSK-IBGZPJMESA-N	1	0	362.449	1.172	20	30		FDEDRO
CC[NH+]=C(NCc1cccc(-n2cncn2)c1)N1CC[C@@]2(CCOC2)C1	ZINC000261964904	817820715	/nfs/dbraw/zinc/82/07/15/817820715.db2.gz	LCAAABZNSNYTLV-LJQANCHMSA-N	1	0	354.458	1.845	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)cc1	ZINC000518519498	817914225	/nfs/dbraw/zinc/91/42/25/817914225.db2.gz	VMRRHYLTALUVDM-HOTGVXAUSA-N	1	0	372.446	1.459	20	30		FDEDRO
CC[NH+](CC)CCOc1cc(NC(=O)Cn2cnc(C#N)n2)ccc1OC	ZINC000426416041	817992695	/nfs/dbraw/zinc/99/26/95/817992695.db2.gz	GJHHIPGKKVOLFZ-UHFFFAOYSA-N	1	0	372.429	1.518	20	30		FDEDRO
C[NH+]=C(NCc1ccnc(OC2CCOCC2)c1)N1CC[C@]2(CCOC2)C1	ZINC000261997516	818015330	/nfs/dbraw/zinc/01/53/30/818015330.db2.gz	SUCSOHSLVFOSAN-FQEVSTJZSA-N	1	0	374.485	1.827	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)Cn2cnnn2)C1	ZINC001087472712	818175660	/nfs/dbraw/zinc/17/56/60/818175660.db2.gz	TVIREIIVEPEIKK-ROUUACIJSA-N	1	0	370.457	1.232	20	30		FDEDRO
COc1ccc([C@@H]2CCN(CC#N)C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2C)cc1	ZINC001087473136	818199140	/nfs/dbraw/zinc/19/91/40/818199140.db2.gz	OXKOZQPYEUMUDK-GBESFXJTSA-N	1	0	356.470	1.587	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C2CN(C(C)=O)C2)C1	ZINC001087473727	818238918	/nfs/dbraw/zinc/23/89/18/818238918.db2.gz	SIFLHGZURJFNJE-PMACEKPBSA-N	1	0	371.481	1.634	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1C#N	ZINC000983651005	818382563	/nfs/dbraw/zinc/38/25/63/818382563.db2.gz	ZJSMJBHFAUDMSA-DTZQCDIJSA-N	1	0	358.398	1.216	20	30		FDEDRO
COc1ccc([C@@H]2CCN(CC#N)C[C@@H]2NC(=O)C[NH+]2CCCC2)cc1	ZINC001087476803	818391311	/nfs/dbraw/zinc/39/13/11/818391311.db2.gz	HAPGADGXTJPPGH-OALUTQOASA-N	1	0	356.470	1.589	20	30		FDEDRO
C=CCOc1ccc(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cc1	ZINC000894753368	818407648	/nfs/dbraw/zinc/40/76/48/818407648.db2.gz	HXIAOCCEUBLQCR-RBUKOAKNSA-N	1	0	359.470	1.992	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1	ZINC000983737570	818907796	/nfs/dbraw/zinc/90/77/96/818907796.db2.gz	XNVWJTJEVOBSBZ-KEYYUXOJSA-N	1	0	357.458	1.195	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]Cc2cnn(CC)n2)CC1	ZINC001029146510	818934725	/nfs/dbraw/zinc/93/47/25/818934725.db2.gz	QXVJPBFAOIWCRA-QGTPRVQTSA-N	1	0	361.490	1.606	20	30		FDEDRO
CC#CCCNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1	ZINC000440720078	819107299	/nfs/dbraw/zinc/10/72/99/819107299.db2.gz	XWTHGTWXHKFFQP-UHFFFAOYSA-N	1	0	368.481	1.687	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)CN2CCCC2=O)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087497766	819326631	/nfs/dbraw/zinc/32/66/31/819326631.db2.gz	GYHGEULAYAGYDT-ZWKOTPCHSA-N	1	0	354.454	1.650	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C(C)C	ZINC001167990834	819397588	/nfs/dbraw/zinc/39/75/88/819397588.db2.gz	DKZWXOVQQIIULK-ULQDDVLXSA-N	1	0	353.507	1.709	20	30		FDEDRO
O=C(NC[C@@H]1CCCn2ccnc21)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000328617996	819518834	/nfs/dbraw/zinc/51/88/34/819518834.db2.gz	URZALBHLDJXPAJ-USXIJHARSA-N	1	0	361.490	1.642	20	30		FDEDRO
C=CCN1CC[C@H](N2CCC[C@@H](n3ncc(N(C)C(C)C)cc3=O)C2)C1=O	ZINC000328765397	819546119	/nfs/dbraw/zinc/54/61/19/819546119.db2.gz	DYRBVJJDHBHPEH-AEFFLSMTSA-N	1	0	373.501	1.512	20	30		FDEDRO
Cc1nnc2n1C[C@H](CNC(=O)N1CC[C@@H](C3CC[NH+](C)CC3)C1)CC2	ZINC000328871254	819573441	/nfs/dbraw/zinc/57/34/41/819573441.db2.gz	PXUUQGXLYKAQDX-DOTOQJQBSA-N	1	0	360.506	1.727	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1	ZINC000328883706	819577078	/nfs/dbraw/zinc/57/70/78/819577078.db2.gz	MILQSTBKFZNLOU-CKEIUWERSA-N	1	0	368.428	1.232	20	30		FDEDRO
CC(=O)N1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC12CCCCC2	ZINC000328930808	819596579	/nfs/dbraw/zinc/59/65/79/819596579.db2.gz	AWVXKPKYNCVUPP-QGZVFWFLSA-N	1	0	365.522	1.013	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@](O)(C(=O)N3CCCC3)C2)C1	ZINC000328977396	819603952	/nfs/dbraw/zinc/60/39/52/819603952.db2.gz	WSBUHJLBIBCRSL-APWZRJJASA-N	1	0	366.506	1.082	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(c4ccccc4)C3=O)C[C@H]21	ZINC001075780582	819626985	/nfs/dbraw/zinc/62/69/85/819626985.db2.gz	PEZCRJMALLRIMM-DFQSSKMNSA-N	1	0	363.461	1.738	20	30		FDEDRO
COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O	ZINC000330921985	819658530	/nfs/dbraw/zinc/65/85/30/819658530.db2.gz	QWMWSHDAQWXPOJ-HMDCTGQHSA-N	1	0	369.506	1.703	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCc2ccc(OC(F)F)cn2)CC[N@@H+]1CC(C)(C)O	ZINC000331353876	819680453	/nfs/dbraw/zinc/68/04/53/819680453.db2.gz	YRGVGRNNKWSDNX-GFCCVEGCSA-N	1	0	372.416	1.874	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)[C@@H]2C1	ZINC001075785162	819798071	/nfs/dbraw/zinc/79/80/71/819798071.db2.gz	TYUJWHRULFHVLF-YQQAZPJKSA-N	1	0	357.458	1.262	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCC(F)(F)C3)C[C@@H]2O)[nH]1	ZINC001083413627	820023379	/nfs/dbraw/zinc/02/33/79/820023379.db2.gz	XJMBAQZMZNLRNK-GLQYFDAESA-N	1	0	352.385	1.487	20	30		FDEDRO
C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCN(c3ccccc3C#N)CC2)C[C@H](C)O1	ZINC000507777610	820060254	/nfs/dbraw/zinc/06/02/54/820060254.db2.gz	STXGIARXAMDJSX-SCTDSRPQSA-N	1	0	358.486	1.150	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H](OC)C(C)C)C[C@H]1C(F)(F)F	ZINC001112157921	820100768	/nfs/dbraw/zinc/10/07/68/820100768.db2.gz	KHAOVVPGCWYSGA-MGPQQGTHSA-N	1	0	350.381	1.286	20	30		FDEDRO
CCc1ccccc1CC[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1	ZINC001083414205	820152383	/nfs/dbraw/zinc/15/23/83/820152383.db2.gz	QPDYSDNMHDELFL-MOPGFXCFSA-N	1	0	352.438	1.466	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C2)CC1	ZINC001112158948	820295982	/nfs/dbraw/zinc/29/59/82/820295982.db2.gz	GSCXHLOXQGAMTD-ZIAGYGMSSA-N	1	0	364.408	1.721	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)cc1	ZINC000983958131	820305869	/nfs/dbraw/zinc/30/58/69/820305869.db2.gz	CENWBQDCQOFULR-UXPWSPDFSA-N	1	0	367.493	1.977	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001087521750	820393353	/nfs/dbraw/zinc/39/33/53/820393353.db2.gz	VRVOHKRZAGOCLQ-RCCFBDPRSA-N	1	0	370.453	1.337	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)COc2cccc(NC(=O)C3CC3)c2)CC1	ZINC000520711705	820440318	/nfs/dbraw/zinc/44/03/18/820440318.db2.gz	YVNNSIFIXIVXKY-UHFFFAOYSA-N	1	0	356.426	1.518	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000843777167	820625515	/nfs/dbraw/zinc/62/55/15/820625515.db2.gz	CHGLXLZNZAJIQP-GASCZTMLSA-N	1	0	352.479	1.984	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)C3CC(F)(F)C3)[C@H]2CC)C1=O	ZINC001087536493	820961397	/nfs/dbraw/zinc/96/13/97/820961397.db2.gz	NDCHXKFMCSJNOZ-RRFJBIMHSA-N	1	0	355.429	1.788	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1	ZINC000442168859	821074201	/nfs/dbraw/zinc/07/42/01/821074201.db2.gz	KEDARACNJZHMOB-BBRMVZONSA-N	1	0	358.442	1.140	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC[N@@H+]1C	ZINC000442167949	821074394	/nfs/dbraw/zinc/07/43/94/821074394.db2.gz	PYBXADTVKVSCDO-ZYHUDNBSSA-N	1	0	366.368	1.697	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)CN2CCOCC2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087546645	821267127	/nfs/dbraw/zinc/26/71/27/821267127.db2.gz	RMTVGOVNJBQDLD-VQTJNVASSA-N	1	0	355.482	1.339	20	30		FDEDRO
C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000521590787	821305788	/nfs/dbraw/zinc/30/57/88/821305788.db2.gz	IOXQOELIFFTQJT-ZWKOTPCHSA-N	1	0	369.469	1.300	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c1	ZINC000521820926	821363781	/nfs/dbraw/zinc/36/37/81/821363781.db2.gz	FLQCETVSTLFBNX-SFHVURJKSA-N	1	0	354.454	1.413	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2CCO[C@H]2c2ccccc2)C1=O	ZINC001168084754	828339332	/nfs/dbraw/zinc/33/93/32/828339332.db2.gz	AJWRDNQFOHWQFO-QRVBRYPASA-N	1	0	371.481	1.647	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)co2)C[C@H]1C(F)(F)F	ZINC001112165081	821481289	/nfs/dbraw/zinc/48/12/89/821481289.db2.gz	VPWQAKXRNCQBEA-VXGBXAGGSA-N	1	0	359.348	1.937	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087592350	821635450	/nfs/dbraw/zinc/63/54/50/821635450.db2.gz	KEAMTQTWFWVANS-FGTMMUONSA-N	1	0	354.454	1.506	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc3n(n2)CCO3)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087604053	821700674	/nfs/dbraw/zinc/70/06/74/821700674.db2.gz	YOKZEHZBCYWKAN-FUHWJXTLSA-N	1	0	365.437	1.930	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCc2cnn(CC)c2)[C@@H]1CC	ZINC001087607116	821713611	/nfs/dbraw/zinc/71/36/11/821713611.db2.gz	MHWBLUMBAMAVFA-ZCNNSNEGSA-N	1	0	371.529	1.512	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2OCCO[C@H]2C)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087607538	821717368	/nfs/dbraw/zinc/71/73/68/821717368.db2.gz	KCKKNGACFABCPH-FZDIXFNVSA-N	1	0	357.454	1.831	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCNC2=O)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087610023	821729923	/nfs/dbraw/zinc/72/99/23/821729923.db2.gz	OHWCDFYAOUAXSY-OWCLPIDISA-N	1	0	360.483	1.615	20	30		FDEDRO
COC(=O)C[C@](C)([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccccn1	ZINC000429675248	821836163	/nfs/dbraw/zinc/83/61/63/821836163.db2.gz	WRHOGFKGBLPASG-UZLBHIALSA-N	1	0	369.421	1.761	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCN(C)C2=O)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087692549	822069665	/nfs/dbraw/zinc/06/96/65/822069665.db2.gz	VWDGMRCFDQDSFT-FGTMMUONSA-N	1	0	354.454	1.506	20	30		FDEDRO
C[N@H+](CCc1ccccc1)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC#N)C1	ZINC001112166975	822139742	/nfs/dbraw/zinc/13/97/42/822139742.db2.gz	BCRIRERWVIVVLT-HZPDHXFCSA-N	1	0	368.403	1.663	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cccnc3C)[C@H]2CC)C1=O	ZINC001087707439	822141432	/nfs/dbraw/zinc/14/14/32/822141432.db2.gz	UNMRKNQPYWXKNX-KSZLIROESA-N	1	0	356.470	1.760	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087715162	822175701	/nfs/dbraw/zinc/17/57/01/822175701.db2.gz	VAZDTQUYTGRALU-QKLQHJQFSA-N	1	0	354.454	1.696	20	30		FDEDRO
C[C@@H](Nc1c(C#N)cnc2c(F)c(F)c(F)cc21)[C@@H]1C[N@H+](C)CCN1C	ZINC000895245952	822233465	/nfs/dbraw/zinc/23/34/65/822233465.db2.gz	KFPJLQJBQLTGQU-YGRLFVJLSA-N	1	0	363.387	1.992	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087727273	822250801	/nfs/dbraw/zinc/25/08/01/822250801.db2.gz	OLQDFHKQYDATSR-ZGXWSNOMSA-N	1	0	367.493	1.732	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C(=O)N2CC[C@@H](C)C2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087789917	822440023	/nfs/dbraw/zinc/44/00/23/822440023.db2.gz	MOBPFUGSJJJAPP-AYOQOUSVSA-N	1	0	368.481	1.896	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc1	ZINC000984365287	822441141	/nfs/dbraw/zinc/44/11/41/822441141.db2.gz	XXAATEILBCICBV-VMJIZDNZSA-N	1	0	351.450	1.966	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCN(C(C)=O)C2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087812003	822475925	/nfs/dbraw/zinc/47/59/25/822475925.db2.gz	RUIVXMLCLGZCQU-PCCBWWKXSA-N	1	0	367.493	1.876	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]C[C@@H]3CC(c4ccc5c(c4)CCO5)=NO3)cnc12	ZINC000895504502	822627056	/nfs/dbraw/zinc/62/70/56/822627056.db2.gz	JISQPOSEHQVKBH-KRWDZBQOSA-N	1	0	374.404	1.819	20	30		FDEDRO
COc1ccc([C@@H](CNC(=O)c2cnn(C)c2C#N)[NH+]2CCCC2)cc1	ZINC000474205518	822628149	/nfs/dbraw/zinc/62/81/49/822628149.db2.gz	YAOVHLSZNIJTKG-GOSISDBHSA-N	1	0	353.426	1.867	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccccn4)C[C@@H]3C2)C1=O	ZINC001087864122	822636889	/nfs/dbraw/zinc/63/68/89/822636889.db2.gz	RNYGNANMMAXCBR-SOLBZPMBSA-N	1	0	354.454	1.262	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC[C@@H](O)[C@@H](F)C3)CC2)c1	ZINC000895594507	822667200	/nfs/dbraw/zinc/66/72/00/822667200.db2.gz	RAFMJNDODRLQGG-ZWKOTPCHSA-N	1	0	360.433	1.637	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+][C@@H]3C(=O)NCC34CCOCC4)CC2)cc1	ZINC000895770931	822736089	/nfs/dbraw/zinc/73/60/89/822736089.db2.gz	YWCZKPFDIGLAPP-GOSISDBHSA-N	1	0	354.454	1.412	20	30		FDEDRO
C#CC[NH+]1CCC(Nc2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)CC1	ZINC000895809434	822747866	/nfs/dbraw/zinc/74/78/66/822747866.db2.gz	VZLVKZHHEABLAS-UHFFFAOYSA-N	1	0	361.389	1.862	20	30		FDEDRO
C[N@@H+](Cc1ccc(C#N)cc1F)C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001029839785	828480987	/nfs/dbraw/zinc/48/09/87/828480987.db2.gz	JCRPQTBWCSQKRS-IMJJTQAJSA-N	1	0	358.417	1.099	20	30		FDEDRO
C[N@@H+](Cc1ccc(C#N)c(F)c1)C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001029840511	828488689	/nfs/dbraw/zinc/48/86/89/828488689.db2.gz	AHEURWWZBHZSMK-IMJJTQAJSA-N	1	0	358.417	1.099	20	30		FDEDRO
C=CCNC(=O)CN1CCN(C(=O)Nc2ccccc2CC[NH+](C)C)CC1	ZINC000446592087	828514158	/nfs/dbraw/zinc/51/41/58/828514158.db2.gz	VMAZBXLUSYGGEY-UHFFFAOYSA-N	1	0	373.501	1.242	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[N@@H+](CCc4ccns4)CC[C@@H]3C2)c1	ZINC001087924942	823934893	/nfs/dbraw/zinc/93/48/93/823934893.db2.gz	PZPRRIXMFVNKRT-CABCVRRESA-N	1	0	355.467	1.979	20	30		FDEDRO
Cc1noc([C@@H](C)N2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]3C2)n1	ZINC001087925032	823935416	/nfs/dbraw/zinc/93/54/16/823935416.db2.gz	UNUOPTWIWVHWIP-DFBGVHRSSA-N	1	0	354.414	1.733	20	30		FDEDRO
Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]3C2)n1	ZINC001087925214	823936561	/nfs/dbraw/zinc/93/65/61/823936561.db2.gz	BHOGLIOSDVMGAZ-SJORKVTESA-N	1	0	367.457	1.189	20	30		FDEDRO
C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC#N)C(F)(F)F	ZINC000928799790	828593431	/nfs/dbraw/zinc/59/34/31/828593431.db2.gz	GFTZQFDOGWCFQK-WDEREUQCSA-N	1	0	366.384	1.792	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cc4cccnc4)C[C@@H]3C2)C1=O	ZINC001087935967	823984179	/nfs/dbraw/zinc/98/41/79/823984179.db2.gz	YMBLYZSZWQJEDZ-QYZOEREBSA-N	1	0	368.481	1.191	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C)C2)C[C@H]1C(F)(F)F	ZINC001112191033	828599389	/nfs/dbraw/zinc/59/93/89/828599389.db2.gz	DWUWFNHTCAWIOA-MGPQQGTHSA-N	1	0	361.408	1.800	20	30		FDEDRO
Cn1nncc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@@H]2C1	ZINC001087953351	824130116	/nfs/dbraw/zinc/13/01/16/824130116.db2.gz	QDJOFDIVCYEFAX-SJORKVTESA-N	1	0	350.426	1.281	20	30		FDEDRO
CC(C)[C@@H](O)C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)CC[C@@H]2C1	ZINC001087956058	824145178	/nfs/dbraw/zinc/14/51/78/824145178.db2.gz	VLXXGAPRWDNILM-HHXXYDBFSA-N	1	0	359.445	1.995	20	30		FDEDRO
N#Cc1cccc(OC2CCN(C(=O)C3C[NH+]([C@@H]4CCOC4)C3)CC2)c1	ZINC000896178937	824158955	/nfs/dbraw/zinc/15/89/55/824158955.db2.gz	VVVNRODCQIVGSR-QGZVFWFLSA-N	1	0	355.438	1.649	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2c[nH]nc2I)CC1	ZINC000896208393	824180316	/nfs/dbraw/zinc/18/03/16/824180316.db2.gz	GIWMQQIFNKDDSB-UHFFFAOYSA-N	1	0	374.226	1.785	20	30		FDEDRO
C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1	ZINC001087961746	824183147	/nfs/dbraw/zinc/18/31/47/824183147.db2.gz	ICOYSBBGHUQMRW-JQHSSLGASA-N	1	0	357.498	1.627	20	30		FDEDRO
NC(=O)c1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)c1	ZINC001087962581	824198518	/nfs/dbraw/zinc/19/85/18/824198518.db2.gz	XWPPSUNYPOIBFU-MOPGFXCFSA-N	1	0	351.450	1.479	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CCN(Cc3nonc3C)C[C@H]2C1	ZINC001087970359	824294838	/nfs/dbraw/zinc/29/48/38/824294838.db2.gz	SLRXOMIWMIQPMV-HPFXQQBRSA-N	1	0	360.458	1.640	20	30		FDEDRO
O=C(NCC#Cc1ccccc1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000525506961	828633383	/nfs/dbraw/zinc/63/33/83/828633383.db2.gz	QYZGKJJNBFXMKA-JOCHJYFZSA-N	1	0	363.461	1.974	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)N[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)C1	ZINC000896487386	824439349	/nfs/dbraw/zinc/43/93/49/824439349.db2.gz	ACOBIOVOLWCUPY-BZUAXINKSA-N	1	0	364.490	1.687	20	30		FDEDRO
C[C@H](NC(=O)CCCCOc1cccc(C#N)c1)[C@@H]1C[N@H+](C)CCN1C	ZINC000896561056	824589934	/nfs/dbraw/zinc/58/99/34/824589934.db2.gz	VIOYRFVHXXWRFB-LPHOPBHVSA-N	1	0	358.486	1.858	20	30		FDEDRO
COCc1cc(NC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)ncn1	ZINC000329106883	824592123	/nfs/dbraw/zinc/59/21/23/824592123.db2.gz	DOISSAPPVASAAD-UHFFFAOYSA-N	1	0	362.478	1.128	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)NCc3cn4c(n3)CCCC4)C2)CC1	ZINC000329133675	824617424	/nfs/dbraw/zinc/61/74/24/824617424.db2.gz	BHRQDHMMTGOBBN-KRWDZBQOSA-N	1	0	360.506	1.345	20	30		FDEDRO
CC(=O)N1CCC[C@](O)(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)C1	ZINC000329136531	824618670	/nfs/dbraw/zinc/61/86/70/824618670.db2.gz	RAYHBRLKLBNWIH-LJQANCHMSA-N	1	0	367.490	1.351	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCc2ccc(N3CCOCC3)nc2)C1	ZINC000329140511	824625419	/nfs/dbraw/zinc/62/54/19/824625419.db2.gz	SZXJGEBRTGXWIJ-QZTJIDSGSA-N	1	0	373.501	1.748	20	30		FDEDRO
CC(C)[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CCO1	ZINC000329160402	824637319	/nfs/dbraw/zinc/63/73/19/824637319.db2.gz	YEDXLTIGLCXBPC-ZACQAIPSSA-N	1	0	366.506	1.342	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1	ZINC000329169294	824639572	/nfs/dbraw/zinc/63/95/72/824639572.db2.gz	JLLIKYOWJHAVDJ-SWDXFRIISA-N	1	0	361.534	1.236	20	30		FDEDRO
O=C(N[C@@H](CO)C[NH+]1CCCCC1)[C@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000329184050	824652895	/nfs/dbraw/zinc/65/28/95/824652895.db2.gz	PCFOCMWUMOARIP-DLBZAZTESA-N	1	0	366.506	1.718	20	30		FDEDRO
Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)on1	ZINC000329229906	824679389	/nfs/dbraw/zinc/67/93/89/824679389.db2.gz	CYVWRUCBDDJXGI-UGUYLWEFSA-N	1	0	367.469	1.834	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCO[C@@]2(CCCOC2)C1	ZINC000329293572	824719812	/nfs/dbraw/zinc/71/98/12/824719812.db2.gz	RQFWXOKEEHMBLM-AOIWGVFYSA-N	1	0	367.490	1.160	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCO[C@]2(CCCOC2)C1	ZINC000329293574	824720007	/nfs/dbraw/zinc/72/00/07/824720007.db2.gz	RQFWXOKEEHMBLM-ZIFCJYIRSA-N	1	0	367.490	1.160	20	30		FDEDRO
CCn1cc(CN2CCCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)cn1	ZINC000329300031	824723543	/nfs/dbraw/zinc/72/35/43/824723543.db2.gz	VJJWUWYYVMWQNT-RTBURBONSA-N	1	0	374.533	1.952	20	30		FDEDRO
CN1C(=O)NC2(CCN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)C1=O	ZINC000329352229	824750523	/nfs/dbraw/zinc/75/05/23/824750523.db2.gz	DTMCBFYUXUTJJR-AGUYFDCRSA-N	1	0	363.462	1.136	20	30		FDEDRO
Cn1cc2c(n1)CCC[C@H]2C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1	ZINC000329414054	824777581	/nfs/dbraw/zinc/77/75/81/824777581.db2.gz	FLYSJFFZKGRBKY-PBHICJAKSA-N	1	0	359.474	1.492	20	30		FDEDRO
O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@@H]1CCCC[C@H]1O	ZINC000329511609	824844201	/nfs/dbraw/zinc/84/42/01/824844201.db2.gz	KQOMWRZVKLJLQL-BBWFWOEESA-N	1	0	367.490	1.207	20	30		FDEDRO
Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCO[C@@H](C3CC3)C2)CCC[N@@H+]1C	ZINC000329518785	824845600	/nfs/dbraw/zinc/84/56/00/824845600.db2.gz	ZMXCYHUBNSSPEY-CGTJXYLNSA-N	1	0	361.490	1.828	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)CC[C@@H]2C1	ZINC001087992999	824957082	/nfs/dbraw/zinc/95/70/82/824957082.db2.gz	VPGQSWNQXSUXAC-SJORKVTESA-N	1	0	370.497	1.689	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c(c3)OCC(=O)N4)C[C@@H]2C1	ZINC001087994646	824969837	/nfs/dbraw/zinc/96/98/37/824969837.db2.gz	VEARWCDFHPGOOW-CVEARBPZSA-N	1	0	353.422	1.435	20	30		FDEDRO
CCc1nc(C#N)cc(N[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)n1	ZINC001059444300	824973785	/nfs/dbraw/zinc/97/37/85/824973785.db2.gz	RJLDMTVBDHSFOZ-DARAHFNDSA-N	1	0	356.474	1.700	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCN(C(C)(C)C)C2=O)C1	ZINC000984825807	825032174	/nfs/dbraw/zinc/03/21/74/825032174.db2.gz	GWCLXZFTMUULLQ-MTSZKFMLSA-N	1	0	363.502	1.461	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnccc3C)CC[C@@H]2C1	ZINC001087998229	825076280	/nfs/dbraw/zinc/07/62/80/825076280.db2.gz	YBMUAAORRXUCSL-GIVPXCGWSA-N	1	0	366.509	1.768	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@@H]2C1	ZINC001087998454	825078795	/nfs/dbraw/zinc/07/87/95/825078795.db2.gz	JPNHOQSFYWHSQK-LDTOTXGLSA-N	1	0	369.465	1.642	20	30		FDEDRO
CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)NC[C@@]3(C)CCOC3)CC2)C1	ZINC000329630138	825082229	/nfs/dbraw/zinc/08/22/29/825082229.db2.gz	HTKKZCYKMHFYLA-IEBWSBKVSA-N	1	0	368.522	1.054	20	30		FDEDRO
CN(C)C(=O)CNC(NCC(=O)N(C)C)=[NH+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1	ZINC000262321514	825180308	/nfs/dbraw/zinc/18/03/08/825180308.db2.gz	SBGDDSFLDFSWKH-ARFHVFGLSA-N	1	0	365.522	1.057	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC000984871757	825192869	/nfs/dbraw/zinc/19/28/69/825192869.db2.gz	QUHAFCWWFJQSAH-CGTJXYLNSA-N	1	0	371.485	1.868	20	30		FDEDRO
C[C@H](NC(=[NH+]CC(=O)N(C)C)N1CC[C@@H]([NH+]2CC=CC2)C1)c1ccccc1	ZINC000262335459	825337853	/nfs/dbraw/zinc/33/78/53/825337853.db2.gz	VXBASUHLGHSUPV-PKOBYXMFSA-N	1	0	369.513	1.728	20	30		FDEDRO
C=CC[N@@H+](C[C@@](C)(O)C(=O)OCC)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000475029844	825361022	/nfs/dbraw/zinc/36/10/22/825361022.db2.gz	FUGAQWNIQJXJQA-RDTXWAMCSA-N	1	0	359.430	1.525	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@@H]3CCc4[nH]cnc4C3)CC2)CC1	ZINC000329735441	825407767	/nfs/dbraw/zinc/40/77/67/825407767.db2.gz	RZCXTHZFTJKLBQ-MRXNPFEDSA-N	1	0	374.533	1.671	20	30		FDEDRO
COCc1nc2n(n1)C[C@@H](NC([O-])=[NH+]C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2	ZINC000329802690	825466317	/nfs/dbraw/zinc/46/63/17/825466317.db2.gz	KNTYWFBOLAUOAI-AVOUXACISA-N	1	0	362.478	1.258	20	30		FDEDRO
Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3C[N@H+](C(C)C)C[C@H]3C)C2)nn1	ZINC000329815749	825478382	/nfs/dbraw/zinc/47/83/82/825478382.db2.gz	OAHYIAYIOSBATH-HYVNUMGLSA-N	1	0	360.506	1.986	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O	ZINC000329842547	825498399	/nfs/dbraw/zinc/49/83/99/825498399.db2.gz	PBMRXURKHYMDLU-WBMJQRKESA-N	1	0	356.426	1.931	20	30		FDEDRO
CC[NH+]1CCN(c2cccc(NC(=O)N3CCN(C(C)=O)C[C@@H]3C)c2)CC1	ZINC000329924844	825545896	/nfs/dbraw/zinc/54/58/96/825545896.db2.gz	JIHVWSLOLMEYEI-INIZCTEOSA-N	1	0	373.501	1.927	20	30		FDEDRO
CN1CC[NH+](CCC(C)(C)NC(=O)c2cnc3c(c2)NC(=O)CO3)CC1	ZINC000329984055	825578200	/nfs/dbraw/zinc/57/82/00/825578200.db2.gz	BURDUTBMXWRFQO-UHFFFAOYSA-N	1	0	361.446	1.783	20	30		FDEDRO
COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000329998682	825586838	/nfs/dbraw/zinc/58/68/38/825586838.db2.gz	STJMPNSMTRSOQL-GJZGRUSLSA-N	1	0	362.478	1.591	20	30		FDEDRO
CC(C)(CNC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)C[NH+]1CCCC1	ZINC000330041788	825608670	/nfs/dbraw/zinc/60/86/70/825608670.db2.gz	DISAOYIVGVNNFQ-INIZCTEOSA-N	1	0	366.506	1.346	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCCN3CC3CCC3)C[C@@H]2C1	ZINC001088053495	825644164	/nfs/dbraw/zinc/64/41/64/825644164.db2.gz	KTHATAUEXPKFDF-HSALFYBXSA-N	1	0	359.514	1.291	20	30		FDEDRO
Cn1cnc2c(c1=O)CCN(C(=O)NCC[N@@H+]1CCc3ccccc3C1)C2	ZINC000330111629	825647098	/nfs/dbraw/zinc/64/70/98/825647098.db2.gz	RHOSCDQMSKDVPD-UHFFFAOYSA-N	1	0	367.453	1.111	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCCS3(=O)=O)C[C@@H]2C1	ZINC001088053775	825652370	/nfs/dbraw/zinc/65/23/70/825652370.db2.gz	ZJBKNLPARAOMBG-IKGGRYGDSA-N	1	0	354.516	1.700	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc4cc(C)nn4c3C)C[C@@H]2C1	ZINC001088059492	825716715	/nfs/dbraw/zinc/71/67/15/825716715.db2.gz	DQFSBFUWGCWRDL-SJORKVTESA-N	1	0	351.454	1.763	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cncn4)nc3)C[C@@H]2C1	ZINC001088060213	825719993	/nfs/dbraw/zinc/71/99/93/825719993.db2.gz	SAFJRFKFIZDYNS-SJORKVTESA-N	1	0	352.442	1.632	20	30		FDEDRO
CC(C)C[C@@H](CNC(=O)N1CCOC2(CCOCC2)C1)N1CCOCC1	ZINC000330191723	825723198	/nfs/dbraw/zinc/72/31/98/825723198.db2.gz	XGNKPCNCWUZZBK-KRWDZBQOSA-N	1	0	369.506	1.529	20	30		FDEDRO
CN1CCN(CC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1=O	ZINC000330244610	825764417	/nfs/dbraw/zinc/76/44/17/825764417.db2.gz	DGSFIXNVERHWLZ-SFHVURJKSA-N	1	0	374.485	1.008	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1	ZINC000330249715	825765904	/nfs/dbraw/zinc/76/59/04/825765904.db2.gz	GLEGFMJCMVOFNR-HUUCEWRRSA-N	1	0	366.506	1.485	20	30		FDEDRO
Cc1ccc(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(=O)n1C	ZINC000330272714	825783872	/nfs/dbraw/zinc/78/38/72/825783872.db2.gz	YAGVKCYMNBVRNP-SJORKVTESA-N	1	0	362.474	1.075	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccnc(OCC[NH+](C)C)c1	ZINC000280903185	825812241	/nfs/dbraw/zinc/81/22/41/825812241.db2.gz	GGQCNAYFPBRFLR-SJLPKXTDSA-N	1	0	362.474	1.802	20	30		FDEDRO
Cn1ncc2c1C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)CC2	ZINC000280907803	825814845	/nfs/dbraw/zinc/81/48/45/825814845.db2.gz	CAKFYSDPRLNTPW-SFHVURJKSA-N	1	0	365.481	1.987	20	30		FDEDRO
CNC(=O)[C@]1(C)CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1	ZINC000281157194	825903421	/nfs/dbraw/zinc/90/34/21/825903421.db2.gz	POHHNJHPFTZQIH-FOIQADDNSA-N	1	0	372.469	1.788	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](C(=O)N(C)c3ccccc3)C2)CC1	ZINC000281195931	825907680	/nfs/dbraw/zinc/90/76/80/825907680.db2.gz	SNMZZFSCTCJCRE-SFHVURJKSA-N	1	0	353.466	1.843	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCc2ncnn21	ZINC001029511190	825909875	/nfs/dbraw/zinc/90/98/75/825909875.db2.gz	BBEPSGSDUAYONG-BCDMZGRMSA-N	1	0	371.485	1.422	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)C1=O	ZINC000281231190	825918950	/nfs/dbraw/zinc/91/89/50/825918950.db2.gz	PBRHXPHIFLLIMG-INIZCTEOSA-N	1	0	358.438	1.840	20	30		FDEDRO
C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3ccccc3N3C(=O)CCC3=O)C2)C1	ZINC000330333734	825939308	/nfs/dbraw/zinc/93/93/08/825939308.db2.gz	QBGZKMAOUQDEQT-IBGZPJMESA-N	1	0	356.426	1.913	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)[C@@H]2CC)CC1	ZINC000984993210	826042848	/nfs/dbraw/zinc/04/28/48/826042848.db2.gz	WLYJYDRRDCGYOZ-MFKWGIFDSA-N	1	0	371.525	1.873	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN(CC(F)F)C3)C[C@@H]2C1	ZINC001088083886	826221816	/nfs/dbraw/zinc/22/18/16/826221816.db2.gz	NSJBQNQISRDWKG-IKGGRYGDSA-N	1	0	353.457	1.767	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CCc2ccoc2)[C@@H]1CC	ZINC000985048153	826233735	/nfs/dbraw/zinc/23/37/35/826233735.db2.gz	ZUAOEJWZZSDALP-OTWHNJEPSA-N	1	0	371.481	1.806	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2nocc2C)[C@@H]1CC	ZINC000985048618	826235613	/nfs/dbraw/zinc/23/56/13/826235613.db2.gz	NCNYERUQUSTJRH-XHSDSOJGSA-N	1	0	358.442	1.190	20	30		FDEDRO
Cn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)CC[C@@H]3C2)[nH]c1=O	ZINC001088091797	826339004	/nfs/dbraw/zinc/33/90/04/826339004.db2.gz	AZHDETYMKQGFDW-SJORKVTESA-N	1	0	365.437	1.591	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](CC[C@@H]4CCOC4)CC[C@@H]3C2)nn1	ZINC001088133687	826574693	/nfs/dbraw/zinc/57/46/93/826574693.db2.gz	VRMUDYMQCHWQOY-ZACQAIPSSA-N	1	0	359.474	1.285	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccnn4C)CC[C@@H]3C2)nn1	ZINC001088135677	826589575	/nfs/dbraw/zinc/58/95/75/826589575.db2.gz	WIMPCLYPNGRYKN-CVEARBPZSA-N	1	0	369.473	1.182	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)C[C@@H]2C1	ZINC001088137725	826617937	/nfs/dbraw/zinc/61/79/37/826617937.db2.gz	BCFSOLACOMJLQT-AKHDSKFASA-N	1	0	358.486	1.645	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2C1	ZINC001088144187	826696932	/nfs/dbraw/zinc/69/69/32/826696932.db2.gz	XJYVMDYJEMOFMO-ZBFHGGJFSA-N	1	0	366.425	1.279	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2CC)cn1	ZINC000985212532	826924753	/nfs/dbraw/zinc/92/47/53/826924753.db2.gz	SZUVNQMHJAZVBP-KSZLIROESA-N	1	0	354.454	1.266	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cc4c([nH]c3=O)CCOC4)C[C@@H]2C1	ZINC001088166572	826949911	/nfs/dbraw/zinc/94/99/11/826949911.db2.gz	IBIIXBGLMGJDMK-ZBFHGGJFSA-N	1	0	355.438	1.277	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)CC2C[NH+](C)C2)cc1	ZINC000665608633	827119149	/nfs/dbraw/zinc/11/91/49/827119149.db2.gz	FVOFLUVKWPCREF-UHFFFAOYSA-N	1	0	366.487	1.518	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]2C[N@H+](Cc3cncn3C)CC[C@@H]2C1	ZINC001088184259	827313852	/nfs/dbraw/zinc/31/38/52/827313852.db2.gz	WDXUTTBBCPUSFD-UXHICEINSA-N	1	0	362.477	1.924	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3nc4nc(C)cc(C)n4n3)C[C@@H]2C1	ZINC001088190251	827342255	/nfs/dbraw/zinc/34/22/55/827342255.db2.gz	PKNKSEVCGBAXBZ-CVEARBPZSA-N	1	0	354.458	1.711	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)NC(C)(C)C3=O)C[C@@H]2C1	ZINC001088190875	827344984	/nfs/dbraw/zinc/34/49/84/827344984.db2.gz	XNLJLIHXOLJNRD-CABCVRRESA-N	1	0	362.474	1.063	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3c(C(F)(F)F)cnn3C)C[C@@H]2C1	ZINC001088187083	827359451	/nfs/dbraw/zinc/35/94/51/827359451.db2.gz	GGYKRVUDBVZSHP-OLZOCXBDSA-N	1	0	354.376	1.856	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4cncn4)C[C@@H]3C2)cc1F	ZINC001088191483	827381662	/nfs/dbraw/zinc/38/16/62/827381662.db2.gz	BXEHXSZYKCNCAH-SJORKVTESA-N	1	0	368.416	1.269	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c(=O)oc4ccccc43)C[C@@H]2C1	ZINC001088196743	827410961	/nfs/dbraw/zinc/41/09/61/827410961.db2.gz	XMURYDPUPPFOLY-CVEARBPZSA-N	1	0	355.438	1.951	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c(c3)[nH]c(=O)n4C)C[C@@H]2C1	ZINC001088213403	827509613	/nfs/dbraw/zinc/50/96/13/827509613.db2.gz	ZHUIUOMPWWSLCV-CVEARBPZSA-N	1	0	352.438	1.696	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C)C1	ZINC000987542828	833212638	/nfs/dbraw/zinc/21/26/38/833212638.db2.gz	TWJLRADOJVTDKJ-OIISXLGYSA-N	1	0	371.485	1.583	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C)C1	ZINC000987542829	833212759	/nfs/dbraw/zinc/21/27/59/833212759.db2.gz	TWJLRADOJVTDKJ-PVAVHDDUSA-N	1	0	371.485	1.583	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2CC)c1	ZINC000985436071	827821039	/nfs/dbraw/zinc/82/10/39/827821039.db2.gz	NXPAAPJFBRLXSU-RYQLBKOJSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1	ZINC000665797580	827925852	/nfs/dbraw/zinc/92/58/52/827925852.db2.gz	HQASBOFVMKYQFC-SFHVURJKSA-N	1	0	372.469	1.665	20	30		FDEDRO
[NH2+]=C(NCc1ccc(N2CCOCC2)nc1)N[C@@H]1CCOc2ccccc21	ZINC000262562459	828307280	/nfs/dbraw/zinc/30/72/80/828307280.db2.gz	WTQBWBJENYPWFA-QGZVFWFLSA-N	1	0	367.453	1.846	20	30		FDEDRO
CS(=O)(=O)Nc1cccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)c1	ZINC000262563537	828312974	/nfs/dbraw/zinc/31/29/74/828312974.db2.gz	XCYVSQMJQITJCK-MRXNPFEDSA-N	1	0	374.466	1.986	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)n1	ZINC000527077488	828951946	/nfs/dbraw/zinc/95/19/46/828951946.db2.gz	NXURQLFIYNWLNA-UHFFFAOYSA-N	1	0	374.489	1.853	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1	ZINC000527118319	828966177	/nfs/dbraw/zinc/96/61/77/828966177.db2.gz	OKDBIEFXPMDTHQ-ZDUSSCGKSA-N	1	0	358.442	1.694	20	30		FDEDRO
C[C@@H]1C[C@]1(C#N)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000448935147	829312666	/nfs/dbraw/zinc/31/26/66/829312666.db2.gz	GSAUUSDJUQYYRH-CFLQYTFWSA-N	1	0	354.454	1.550	20	30		FDEDRO
Cc1ccc(I)cc1NC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N	ZINC000841196495	829332741	/nfs/dbraw/zinc/33/27/41/829332741.db2.gz	RJHVTIZZFHBMDG-CABZTGNLSA-N	1	0	370.194	1.833	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCc3cncnc3)CC2)cc1	ZINC000528270831	829332776	/nfs/dbraw/zinc/33/27/76/829332776.db2.gz	RHDAAORWSWISSH-UHFFFAOYSA-N	1	0	364.453	1.808	20	30		FDEDRO
COCC#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001105423075	829337992	/nfs/dbraw/zinc/33/79/92/829337992.db2.gz	CIFASBIRJAEAAN-MLYOOKFZSA-N	1	0	371.437	1.108	20	30		FDEDRO
CCCCNC(=O)C1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1	ZINC000528338402	829358565	/nfs/dbraw/zinc/35/85/65/829358565.db2.gz	LYFRTODLGICPDO-GOSISDBHSA-N	1	0	359.470	1.926	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)CN1CC[NH+](CC2CCOCC2)CC1	ZINC000528386667	829377134	/nfs/dbraw/zinc/37/71/34/829377134.db2.gz	JJDFAFNGTHVUFE-LJQANCHMSA-N	1	0	359.470	1.342	20	30		FDEDRO
CC1([C@H]2CCC[N@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)OCCO1	ZINC000528442082	829412047	/nfs/dbraw/zinc/41/20/47/829412047.db2.gz	PRIIYRNEQDLNQP-INIZCTEOSA-N	1	0	368.433	1.761	20	30		FDEDRO
C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O	ZINC000528503213	829428881	/nfs/dbraw/zinc/42/88/81/829428881.db2.gz	DLMQGLZCDVZZBJ-IAGOWNOFSA-N	1	0	367.449	1.081	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](N2CCOCC2)CC1	ZINC000528493429	829432900	/nfs/dbraw/zinc/43/29/00/829432900.db2.gz	VFTLMDDNSZBPMG-OALUTQOASA-N	1	0	359.470	1.485	20	30		FDEDRO
N#CCCn1cc(C[NH2+]C[C@H]2CCCCN2CCO)c(-c2ccncc2)n1	ZINC000449394232	829472443	/nfs/dbraw/zinc/47/24/43/829472443.db2.gz	FNKUHGSLQZRRDM-LJQANCHMSA-N	1	0	368.485	1.795	20	30		FDEDRO
CN(C(=O)C[N@@H+]1CC2(CCOCC2)CC[C@H]1CO)C1(C#N)CCCCC1	ZINC000528636234	829490226	/nfs/dbraw/zinc/49/02/26/829490226.db2.gz	CKTJGSHYSZPWEX-KRWDZBQOSA-N	1	0	363.502	1.925	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)C[C@H](C)O1	ZINC000528780173	829559093	/nfs/dbraw/zinc/55/90/93/829559093.db2.gz	AYPGZPRPRPCUGE-IYBDPMFKSA-N	1	0	357.454	1.789	20	30		FDEDRO
Cn1ncc(-c2nc(-c3ccc(N4CCC[N@H+](C)CC4)nc3)no2)c1C#N	ZINC000350106484	833426508	/nfs/dbraw/zinc/42/65/08/833426508.db2.gz	FWQQWZVEUWDCAV-UHFFFAOYSA-N	1	0	364.413	1.546	20	30		FDEDRO
N#Cc1ccc(CC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cn1	ZINC000528920943	829620993	/nfs/dbraw/zinc/62/09/93/829620993.db2.gz	WQGIGVMHPLMWJL-RBUKOAKNSA-N	1	0	350.422	1.247	20	30		FDEDRO
N#Cc1cnc(NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c([N+](=O)[O-])c1	ZINC000450411786	829949389	/nfs/dbraw/zinc/94/93/89/829949389.db2.gz	OWQWKCZRAJVULD-HOTGVXAUSA-N	1	0	353.382	1.909	20	30		FDEDRO
COCc1ccc(NC2CC[NH+](CCN3CCOCC3)CC2)cc1C#N	ZINC000529641293	829962656	/nfs/dbraw/zinc/96/26/56/829962656.db2.gz	COBZIUKIPPZUFF-UHFFFAOYSA-N	1	0	358.486	1.913	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccc(CN2C(=O)CCC2=O)cc1	ZINC000729809499	837430880	/nfs/dbraw/zinc/43/08/80/837430880.db2.gz	LDCMRGCUAWQSDC-KRWDZBQOSA-N	1	0	354.406	1.590	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)N(C)C)C1	ZINC000451994042	830495018	/nfs/dbraw/zinc/49/50/18/830495018.db2.gz	NOYCAVYALOXXFS-QZTJIDSGSA-N	1	0	361.486	1.890	20	30		FDEDRO
N#CC1(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)CCC1	ZINC000531143856	830588590	/nfs/dbraw/zinc/58/85/90/830588590.db2.gz	RRNRTCKESCOVCJ-UHFFFAOYSA-N	1	0	360.502	1.911	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1	ZINC000986083174	830589307	/nfs/dbraw/zinc/58/93/07/830589307.db2.gz	MWDHPUILDXCARN-AABGKKOBSA-N	1	0	371.525	1.970	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]2C1	ZINC000986094610	830702288	/nfs/dbraw/zinc/70/22/88/830702288.db2.gz	GZAFGHSCLBOSRL-AABGKKOBSA-N	1	0	371.525	1.970	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN2CC[C@H](NC(=O)Cn3cccn3)[C@H]2C)c1	ZINC001088469802	830754187	/nfs/dbraw/zinc/75/41/87/830754187.db2.gz	CBVBQKBIKMRXGU-QAPCUYQASA-N	1	0	365.437	1.082	20	30		FDEDRO
C=CCn1c(-c2nnn(C)c2C)nnc1N1CC[C@@H](C[NH+](CC)CC)C1	ZINC000453433287	830935628	/nfs/dbraw/zinc/93/56/28/830935628.db2.gz	WKXWCKMXMCWOPG-HNNXBMFYSA-N	1	0	358.494	1.736	20	30		FDEDRO
C[NH+](C)C1CCN(c2ccc(NC(=O)C3(C#N)CCOCC3)nc2)CC1	ZINC000532191920	831032204	/nfs/dbraw/zinc/03/22/04/831032204.db2.gz	JCIVGVFMHHMZLS-UHFFFAOYSA-N	1	0	357.458	1.871	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)c1	ZINC000986130281	831040558	/nfs/dbraw/zinc/04/05/58/831040558.db2.gz	JEHZVXDJSSMIHM-MJGOQNOKSA-N	1	0	366.465	1.079	20	30		FDEDRO
C[NH+]=C(NCCNC(=O)c1ccc(O)cc1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C	ZINC000262777262	831380799	/nfs/dbraw/zinc/38/07/99/831380799.db2.gz	JQKKLOQTQUDYMS-ARFHVFGLSA-N	1	0	360.458	1.101	20	30		FDEDRO
C[NH+](C)C1(C(=O)N2C[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)CC[C@@H]3C2)CCC1	ZINC000986257766	831385840	/nfs/dbraw/zinc/38/58/40/831385840.db2.gz	ZGGPPPREMOKBND-CVEARBPZSA-N	1	0	369.469	1.291	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CN(C(=O)[C@@H](CC)[NH+](C)C)CC[C@@H]3C2)cn1	ZINC000986457688	831700631	/nfs/dbraw/zinc/70/06/31/831700631.db2.gz	UBZCQFXNLRCGNF-ZIFCJYIRSA-N	1	0	368.481	1.324	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@H](C)C[C@@H](C)[C@@H]3C)CC2)o1	ZINC000475729009	831934760	/nfs/dbraw/zinc/93/47/60/831934760.db2.gz	DMPMHNHKCDKSDQ-KFWWJZLASA-N	1	0	359.474	1.870	20	30		FDEDRO
C#Cc1ccc(C(=O)NCC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC001059730961	831998730	/nfs/dbraw/zinc/99/87/30/831998730.db2.gz	VDMGUPIERFWYPY-BPQIPLTHSA-N	1	0	368.481	1.372	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@@H]2C1	ZINC000986596676	832012040	/nfs/dbraw/zinc/01/20/40/832012040.db2.gz	DIMTYDQRRMKYFM-ZACQAIPSSA-N	1	0	358.486	1.329	20	30		FDEDRO
C=C(Cl)CN1C[C@@H]2CCN(C(=O)CCn3c(C)csc3=O)[C@@H]2C1	ZINC001075883938	832353826	/nfs/dbraw/zinc/35/38/26/832353826.db2.gz	ACYDABDFPVJDBR-UONOGXRCSA-N	1	0	355.891	1.894	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@](C[NH2+][C@@H](C)C(N)=O)(c2ccccc2)C1	ZINC001105439791	832387541	/nfs/dbraw/zinc/38/75/41/832387541.db2.gz	MQDSARQNMNXLGI-HFEWUVCRSA-N	1	0	371.481	1.258	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1ccnc(N(C)C)c1	ZINC001088529079	832453086	/nfs/dbraw/zinc/45/30/86/832453086.db2.gz	CQIKLVZERKKXBO-CJNGLKHVSA-N	1	0	352.442	1.740	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000987051021	832500993	/nfs/dbraw/zinc/50/09/93/832500993.db2.gz	SFJAMWZCWNUQQF-DJIMGWMZSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1	ZINC000453945006	832557796	/nfs/dbraw/zinc/55/77/96/832557796.db2.gz	REUPVZLFZJDHBB-MSOLQXFVSA-N	1	0	357.454	1.723	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)Cc2cncnc2)CCN1Cc1cc(C#N)ccc1F	ZINC001088544590	832572369	/nfs/dbraw/zinc/57/23/69/832572369.db2.gz	NLHCOLRZAFTKSI-ACJLOTCBSA-N	1	0	353.401	1.809	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1	ZINC001059789859	832774595	/nfs/dbraw/zinc/77/45/95/832774595.db2.gz	BPMLHULDLDIFOD-KURKYZTESA-N	1	0	365.518	1.663	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1C	ZINC000987646429	833512000	/nfs/dbraw/zinc/51/20/00/833512000.db2.gz	GHJUUULWSUFEPF-OLMNPRSZSA-N	1	0	371.485	1.868	20	30		FDEDRO
C=CCOCCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000666521485	833877391	/nfs/dbraw/zinc/87/73/91/833877391.db2.gz	GXWMKZWCXAFYBW-MOPGFXCFSA-N	1	0	361.486	1.761	20	30		FDEDRO
C=CCN(C(=O)C[C@H]1COCC[NH2+]1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000262570092	837772106	/nfs/dbraw/zinc/77/21/06/837772106.db2.gz	SFRORSUNCIHHNM-HOCLYGCPSA-N	1	0	356.430	1.116	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1	ZINC000332751847	834766098	/nfs/dbraw/zinc/76/60/98/834766098.db2.gz	BWVZDHYZXOMBAJ-IRXDYDNUSA-N	1	0	362.518	1.903	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)C3C=CC=CC=C3)[C@H]2C)CC1	ZINC000988399592	834874690	/nfs/dbraw/zinc/87/46/90/834874690.db2.gz	YZACSOLTABFDSI-XLIONFOSSA-N	1	0	367.493	1.736	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C	ZINC000245460994	835349248	/nfs/dbraw/zinc/34/92/48/835349248.db2.gz	MQMZYZSWZXAXJZ-CABCVRRESA-N	1	0	359.401	1.471	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3CCC)[C@H]2C)nc1	ZINC000988496406	835570950	/nfs/dbraw/zinc/57/09/50/835570950.db2.gz	ILSLOERXIYCAMA-HHXXYDBFSA-N	1	0	368.481	1.657	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H](C)c3ccco3)[C@@H]2C)CC1	ZINC000988505758	835645586	/nfs/dbraw/zinc/64/55/86/835645586.db2.gz	CLEOBNHHQZLWMV-NUJGCVRESA-N	1	0	371.481	1.834	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)CC(C)(F)F)[C@@H]2C)CC1	ZINC000988506475	835658140	/nfs/dbraw/zinc/65/81/40/835658140.db2.gz	MPFRMLYWMUGOTB-HIFRSBDPSA-N	1	0	355.429	1.483	20	30		FDEDRO
N#CCOc1ccccc1C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1	ZINC000245882961	835710656	/nfs/dbraw/zinc/71/06/56/835710656.db2.gz	NMHLFLFKARAMJO-ZWKOTPCHSA-N	1	0	365.433	1.954	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@@H]1C	ZINC000988541505	835863293	/nfs/dbraw/zinc/86/32/93/835863293.db2.gz	VBCAMXLLWSDUDH-OIISXLGYSA-N	1	0	371.485	1.868	20	30		FDEDRO
N#Cc1cccnc1-n1cc(NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)cn1	ZINC000455145979	835921833	/nfs/dbraw/zinc/92/18/33/835921833.db2.gz	OWBDEOOKDKMTGI-INIZCTEOSA-N	1	0	369.429	1.107	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)CCCC[NH+](C)C)C[C@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001105669171	844147784	/nfs/dbraw/zinc/14/77/84/844147784.db2.gz	PQMVUPPXDBOZMT-RWQQGDIJSA-N	1	0	350.507	1.208	20	30		FDEDRO
COc1ccc(CN2C[C@@H](NC(=O)[C@H](C)C#N)[C@H](OC)C2)cc1Cl	ZINC001212041738	836356778	/nfs/dbraw/zinc/35/67/78/836356778.db2.gz	ZLCBPBLWQWIODB-DJSGYFEHSA-N	1	0	351.834	1.824	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccn(C(C)C)n2)[C@@H]1C	ZINC000988738762	836945167	/nfs/dbraw/zinc/94/51/67/836945167.db2.gz	UAULTFBSIJAATD-RYRKJORJSA-N	1	0	371.485	1.281	20	30		FDEDRO
CN1CC[C@@H](CC(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1=O	ZINC001075920755	837048011	/nfs/dbraw/zinc/04/80/11/837048011.db2.gz	SZEUYDRKJRYQEQ-GBESFXJTSA-N	1	0	366.465	1.459	20	30		FDEDRO
C=CCOCC(=O)OCC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1	ZINC000729759587	837179579	/nfs/dbraw/zinc/17/95/79/837179579.db2.gz	XWRHUEPJYCCELJ-UHFFFAOYSA-N	1	0	360.454	1.775	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CC[C@H](NC(=O)Cn3ccnc3)[C@H]2C)cc1	ZINC000988773613	837221240	/nfs/dbraw/zinc/22/12/40/837221240.db2.gz	JNWZJCZXNDUJDU-QAPCUYQASA-N	1	0	366.421	1.315	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3[nH]cnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105669638	844260034	/nfs/dbraw/zinc/26/00/34/844260034.db2.gz	UCDMMNKTARQIDO-JYBIWHBTSA-N	1	0	358.486	1.250	20	30		FDEDRO
COCC[NH2+]CCNC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1	ZINC000667444828	844321447	/nfs/dbraw/zinc/32/14/47/844321447.db2.gz	GRXYNHHCMCKISD-UHFFFAOYSA-N	1	0	371.462	1.439	20	30		FDEDRO
C#CCC[NH+]1CCN(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC1	ZINC000271990421	838420935	/nfs/dbraw/zinc/42/09/35/838420935.db2.gz	DSKULCBWSYUTML-UHFFFAOYSA-N	1	0	368.481	1.783	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](C[C@@H]2CCNC(=O)CC2)[C@@H]1C	ZINC001088623526	838515575	/nfs/dbraw/zinc/51/55/75/838515575.db2.gz	FDSMUFLNNYOBCK-IKGGRYGDSA-N	1	0	358.486	1.783	20	30		FDEDRO
C=CCn1nnn(CN2CCC([NH+]3CCN(C(C)C)CC3)CC2)c1=S	ZINC000760286538	838530825	/nfs/dbraw/zinc/53/08/25/838530825.db2.gz	UHGZMKFWJAQGQT-UHFFFAOYSA-N	1	0	365.551	1.443	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1	ZINC000989181615	838612893	/nfs/dbraw/zinc/61/28/93/838612893.db2.gz	HXINMSVGOKTUTB-FJIDUMEYSA-N	1	0	363.502	1.559	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C)cc1	ZINC000989217376	838764749	/nfs/dbraw/zinc/76/47/49/838764749.db2.gz	RNYSKAFQSMXFMN-BEFAXECRSA-N	1	0	353.466	1.871	20	30		FDEDRO
COCCN(CC#N)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1	ZINC000459540419	838825489	/nfs/dbraw/zinc/82/54/89/838825489.db2.gz	YHNDMICGEUJDJO-UHFFFAOYSA-N	1	0	358.486	1.548	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1	ZINC000459940944	839131962	/nfs/dbraw/zinc/13/19/62/839131962.db2.gz	JTAJBIVWODBEIR-UHFFFAOYSA-N	1	0	368.481	1.851	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cn3c(n2)COCC3)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088662674	839501966	/nfs/dbraw/zinc/50/19/66/839501966.db2.gz	SHONBWDOGGFPEA-PBHICJAKSA-N	1	0	365.437	1.678	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@H]1CC[N@H+](CCn2cncn2)[C@@H]1C	ZINC001088672377	839558724	/nfs/dbraw/zinc/55/87/24/839558724.db2.gz	YDGGGSANPRGRMG-WBVHZDCISA-N	1	0	355.442	1.736	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(OCC#N)cc2)c1C#N	ZINC000760307562	839779750	/nfs/dbraw/zinc/77/97/50/839779750.db2.gz	QWWFBRXLDQFGHN-UHFFFAOYSA-N	1	0	352.398	1.517	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@H]2C)nc1	ZINC000989391444	839904295	/nfs/dbraw/zinc/90/42/95/839904295.db2.gz	SQUQERCSGSDQJW-MVJTYMMSSA-N	1	0	368.481	1.512	20	30		FDEDRO
CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CN(C)C[C@@H](C)O2)CCC1	ZINC001105544943	839953019	/nfs/dbraw/zinc/95/30/19/839953019.db2.gz	ZONIKHHXPIWOKZ-QRVBRYPASA-N	1	0	361.530	1.870	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(F)F)[C@@H]2C(C)C)C[C@H]1O	ZINC001105584687	839993896	/nfs/dbraw/zinc/99/38/96/839993896.db2.gz	JKHYIVZMZYIMPW-ADAWSYLGSA-N	1	0	358.429	1.258	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1C[C@]2(CN(C(C)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105587386	840025922	/nfs/dbraw/zinc/02/59/22/840025922.db2.gz	GNAAOGGSLORXBL-HNBVOPMISA-N	1	0	365.518	1.397	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105585895	840043273	/nfs/dbraw/zinc/04/32/73/840043273.db2.gz	YAQFNQRMLPOIHB-LFGUQSLTSA-N	1	0	350.503	1.955	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CNC(C)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105589679	840112946	/nfs/dbraw/zinc/11/29/46/840112946.db2.gz	CAFGGQGAYYSDLI-RWQQGDIJSA-N	1	0	351.491	1.055	20	30		FDEDRO
Cn1ncc(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)c1C#N	ZINC000476186555	840116306	/nfs/dbraw/zinc/11/63/06/840116306.db2.gz	FKILCKMBBFYNLB-UHFFFAOYSA-N	1	0	353.426	1.178	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)C(=O)[C@@H]([NH2+]C(C)C)c2ccc(OC)cc2)C1=O	ZINC000897651121	840171945	/nfs/dbraw/zinc/17/19/45/840171945.db2.gz	SHIXFFVDPOKTKH-MSOLQXFVSA-N	1	0	359.470	1.980	20	30		FDEDRO
CC[C@@H](C)n1nccc1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O	ZINC001083498941	844528814	/nfs/dbraw/zinc/52/88/14/844528814.db2.gz	YQXBBWODEMNVSP-BJZITVGISA-N	1	0	367.453	1.701	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C)n3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105594752	840581626	/nfs/dbraw/zinc/58/16/26/840581626.db2.gz	WMGLGAJJXNPKPP-RBAQFSTRSA-N	1	0	357.498	1.937	20	30		FDEDRO
N#Cc1cccc([C@H]2CN(C(=O)N[C@H]3C[NH2+]CCC3(F)F)CCO2)c1	ZINC000842007562	840638884	/nfs/dbraw/zinc/63/88/84/840638884.db2.gz	YWVONYYJLHEOIX-CABCVRRESA-N	1	0	350.369	1.638	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](CC)C2)cc1	ZINC000667550565	844565841	/nfs/dbraw/zinc/56/58/41/844565841.db2.gz	OZHPMLPYQWLMLU-BBRMVZONSA-N	1	0	358.442	1.127	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccccc3O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105597706	840765213	/nfs/dbraw/zinc/76/52/13/840765213.db2.gz	GOYDCKSFZRAMIG-XLBJILASSA-N	1	0	356.466	1.995	20	30		FDEDRO
CCCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC#CCOC)C2)[C@@H]1C(C)C	ZINC001105598694	840778353	/nfs/dbraw/zinc/77/83/53/840778353.db2.gz	VYCUWFKDCLTCBY-JYBIWHBTSA-N	1	0	350.503	1.793	20	30		FDEDRO
CO[C@@H]1CCOC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000898101283	840811743	/nfs/dbraw/zinc/81/17/43/840811743.db2.gz	LNZQSQWXPPSEIA-RTBURBONSA-N	1	0	372.469	1.579	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)CSCC#N)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCF)C2	ZINC001105600227	840980097	/nfs/dbraw/zinc/98/00/97/840980097.db2.gz	DJMPGRLXVXGGJG-MUIFIZLQSA-N	1	0	357.495	1.569	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CSCC#N)[C@@H]2C(C)C)C[C@H]1O	ZINC001105601506	841035637	/nfs/dbraw/zinc/03/56/37/841035637.db2.gz	ZMGMXUSAJXVDEH-AHCXZYCDSA-N	1	0	351.516	1.785	20	30		FDEDRO
CCCOCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC#CCOC)C2)[C@H]1C(C)C	ZINC001105603152	841163401	/nfs/dbraw/zinc/16/34/01/841163401.db2.gz	FGKGSBJICDORHR-LFGUQSLTSA-N	1	0	366.502	1.029	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105603407	841170405	/nfs/dbraw/zinc/17/04/05/841170405.db2.gz	JMTLHSVTBMVSJI-JYBIWHBTSA-N	1	0	350.503	1.793	20	30		FDEDRO
C=CCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnn(C)c3)C2)[C@@H]1C(C)C	ZINC001105607265	841224150	/nfs/dbraw/zinc/22/41/50/841224150.db2.gz	ONWWUOGLKHRSOU-JYBIWHBTSA-N	1	0	360.502	1.852	20	30		FDEDRO
[NH2+]=C(NCC(=O)N1CCc2ccccc2C1)N[C@@H]1CCOc2ccccc21	ZINC000083052249	841307844	/nfs/dbraw/zinc/30/78/44/841307844.db2.gz	WVLOKONASWKWMI-GOSISDBHSA-N	1	0	364.449	1.999	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H]1C	ZINC000990146603	841915222	/nfs/dbraw/zinc/91/52/22/841915222.db2.gz	ZQGBUYRMNYZKFV-BGTYHANMSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=C(Cl)C[C@@H]1NC(=O)N(CC2CC[NH+](C3CCOCC3)CC2)C1=O	ZINC000925330781	842048344	/nfs/dbraw/zinc/04/83/44/842048344.db2.gz	AVKBJDXXFJQZAZ-HNNXBMFYSA-N	1	0	355.866	1.940	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncccc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105614836	842228385	/nfs/dbraw/zinc/22/83/85/842228385.db2.gz	KBXJZOJTZDUMKW-ZJSJBZJDSA-N	1	0	355.482	1.993	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@@H]1C(C)C	ZINC001105619030	842234970	/nfs/dbraw/zinc/23/49/70/842234970.db2.gz	DTUSIDNWXJSOER-IZBJGVDFSA-N	1	0	350.503	1.793	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncccc3O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619304	842236570	/nfs/dbraw/zinc/23/65/70/842236570.db2.gz	IVHPORYYHHUPRU-QSFMABPGSA-N	1	0	359.470	1.943	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(=O)NCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105619596	842238764	/nfs/dbraw/zinc/23/87/64/842238764.db2.gz	OAZPFJOOPOZJFH-VVWQDTPRSA-N	1	0	351.491	1.055	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc[nH]c(=O)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619615	842238793	/nfs/dbraw/zinc/23/87/93/842238793.db2.gz	OKCQULFZXQRFMF-QQTQMKHKSA-N	1	0	357.454	1.390	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C)nn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105628199	842260625	/nfs/dbraw/zinc/26/06/25/842260625.db2.gz	SOQKLBUTUCFFKI-FTEYMNFISA-N	1	0	358.486	1.941	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC#CCOC)C2)[C@H]1C(C)C	ZINC001105628408	842261006	/nfs/dbraw/zinc/26/10/06/842261006.db2.gz	VMVYPXDVRRLUEN-VURPSTOHSA-N	1	0	360.498	1.406	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCC=C)C2)[C@H]1C(C)C	ZINC001105631463	842264794	/nfs/dbraw/zinc/26/47/94/842264794.db2.gz	CMZFTAOLQQHXAR-UKAVVXHISA-N	1	0	362.514	1.959	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cc(C)n[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105613993	842265677	/nfs/dbraw/zinc/26/56/77/842265677.db2.gz	DWAXMJPFWGJNJL-LFGUQSLTSA-N	1	0	358.486	1.250	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(CCOC)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105636656	842268041	/nfs/dbraw/zinc/26/80/41/842268041.db2.gz	AZMQBROPLDGHFZ-WOCWXWTJSA-N	1	0	350.503	1.955	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc[nH]c3=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105637532	842271944	/nfs/dbraw/zinc/27/19/44/842271944.db2.gz	RIYWEBITJXBCEW-OAFZBRQQSA-N	1	0	360.458	1.338	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc4n3CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637472	842272164	/nfs/dbraw/zinc/27/21/64/842272164.db2.gz	QIJJREFGTNABOA-STQYRHOTSA-N	1	0	370.497	1.432	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3[nH]c(=O)[nH]c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637816	842274647	/nfs/dbraw/zinc/27/46/47/842274647.db2.gz	VZWJPFOYBXLWBY-UMHPPVOVSA-N	1	0	362.474	1.580	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)C(N)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105638093	842275279	/nfs/dbraw/zinc/27/52/79/842275279.db2.gz	ZSEILLVZFGRSMJ-GPINWOSQSA-N	1	0	351.491	1.040	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)nnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105633247	842281826	/nfs/dbraw/zinc/28/18/26/842281826.db2.gz	RKKMRDKYWVFUAL-XCJLJZCSSA-N	1	0	370.497	1.696	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@@H]1C(C)C	ZINC001105645437	842395195	/nfs/dbraw/zinc/39/51/95/842395195.db2.gz	AQMVPBAVKYDPOJ-IZBJGVDFSA-N	1	0	350.503	1.529	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH]c(=O)n3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105646518	842409116	/nfs/dbraw/zinc/40/91/16/842409116.db2.gz	KDSQUSUPXNHTCF-ZIGSKRJUSA-N	1	0	362.474	1.282	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)COC)[C@H]2C(C)C)C[C@H]1O	ZINC001105647704	842414536	/nfs/dbraw/zinc/41/45/36/842414536.db2.gz	UADMSTFXWOVPCG-WWNBULGVSA-N	1	0	350.503	1.648	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3csc(=O)[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105648317	842419453	/nfs/dbraw/zinc/41/94/53/842419453.db2.gz	XWSLZTFENRIQSB-LJGDNWOOSA-N	1	0	363.483	1.452	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3[nH]c(C)nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105655129	842482181	/nfs/dbraw/zinc/48/21/81/842482181.db2.gz	FRWTUJIYXTVQPY-CIWUYKSXSA-N	1	0	358.486	1.630	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CCO)C3)[C@H]2C(C)C)CCC1	ZINC001105655156	842482436	/nfs/dbraw/zinc/48/24/36/842482436.db2.gz	FXOVHHQSIGQTML-VIPLHTEESA-N	1	0	350.503	1.691	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccn(C)c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105655302	842483106	/nfs/dbraw/zinc/48/31/06/842483106.db2.gz	HEYVLMUJPVUHBC-WERVVEIQSA-N	1	0	357.498	1.937	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3cn[nH]c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105656369	842492489	/nfs/dbraw/zinc/49/24/89/842492489.db2.gz	PDOAINHDDYNUNA-IZBJGVDFSA-N	1	0	360.502	1.885	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CCO)C3)[C@H]2C(C)C)CC1	ZINC001105657310	842494361	/nfs/dbraw/zinc/49/43/61/842494361.db2.gz	YCQSFSKITWODIE-VIPLHTEESA-N	1	0	350.503	1.691	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1	ZINC001060037371	842501806	/nfs/dbraw/zinc/50/18/06/842501806.db2.gz	FOHFWXGNMLDCJX-BBWFWOEESA-N	1	0	351.491	1.274	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(C(=O)NC)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105661133	842666359	/nfs/dbraw/zinc/66/63/59/842666359.db2.gz	FCBAGWISGYBFFF-JEWRLFTDSA-N	1	0	363.502	1.055	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccn4ccccc34)[C@H]2C)C1=O	ZINC001088736637	842675025	/nfs/dbraw/zinc/67/50/25/842675025.db2.gz	NYZZLXDFBJBGSS-HHXXYDBFSA-N	1	0	366.465	1.919	20	30		FDEDRO
C=C(C)Cn1c(COCC)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1	ZINC000460944537	842907692	/nfs/dbraw/zinc/90/76/92/842907692.db2.gz	RYXLCZNYRUVTKE-KRWDZBQOSA-N	1	0	362.522	1.607	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N[C@@H]2CCC[C@H]2C#N)c1	ZINC000461965943	843260062	/nfs/dbraw/zinc/26/00/62/843260062.db2.gz	ZVCZSUXNUMYZFL-DLBZAZTESA-N	1	0	357.458	1.469	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C	ZINC000462098395	843312362	/nfs/dbraw/zinc/31/23/62/843312362.db2.gz	PJKNXARZFRZYPE-UKRRQHHQSA-N	1	0	353.430	2.052	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH]c(C)cc3=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105666882	843335053	/nfs/dbraw/zinc/33/50/53/843335053.db2.gz	KTJVFORELPEKOI-VELGLUOQSA-N	1	0	371.481	1.286	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3nonc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667065	843483132	/nfs/dbraw/zinc/48/31/32/843483132.db2.gz	NMDHCVDZNFPJCA-PSBWJHGTSA-N	1	0	362.474	1.463	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCC(=O)NCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667656	843651731	/nfs/dbraw/zinc/65/17/31/843651731.db2.gz	SQOJVDSEYUDVRH-SMOSDQRPSA-N	1	0	365.518	1.445	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(C(=O)NC[C@@H]3CCCN(CC#N)C3)cc2)CC1	ZINC000478314516	843685157	/nfs/dbraw/zinc/68/51/57/843685157.db2.gz	ORQHYGMEWYEMRF-SFHVURJKSA-N	1	0	369.513	1.794	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)[C@@H](O)C1	ZINC001083483536	843778533	/nfs/dbraw/zinc/77/85/33/843778533.db2.gz	YNVKPRFPZBJZQI-PMPSAXMXSA-N	1	0	351.491	1.151	20	30		FDEDRO
C=C[C@](C)(O)C(=O)N1CCC(CC(=O)N2CCC([NH+](C)C)CC2)CC1	ZINC000667353450	843820852	/nfs/dbraw/zinc/82/08/52/843820852.db2.gz	VNCDALOUMQQITJ-IBGZPJMESA-N	1	0	351.491	1.105	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCC(=O)NC2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088808915	844912057	/nfs/dbraw/zinc/91/20/57/844912057.db2.gz	YDWIOEPCTSKALH-LIVBEALHSA-N	1	0	354.454	1.554	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCOCC)C2)[C@H]1C(C)C	ZINC001105673970	845437668	/nfs/dbraw/zinc/43/76/68/845437668.db2.gz	RDOQJOGGMIHSOF-HNBVOPMISA-N	1	0	368.518	1.582	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCOCC)C2)[C@@H]1C(C)C	ZINC001105673971	845438068	/nfs/dbraw/zinc/43/80/68/845438068.db2.gz	RDOQJOGGMIHSOF-IZBJGVDFSA-N	1	0	368.518	1.582	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)COCCOCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105676307	845890243	/nfs/dbraw/zinc/89/02/43/845890243.db2.gz	VUFFVWIXYIINSN-HNBVOPMISA-N	1	0	368.518	1.582	20	30		FDEDRO
N#Cc1ccc(Cn2cc(NC(=O)C3C[NH+]([C@@H]4CCOC4)C3)cn2)cc1	ZINC000899172039	845903487	/nfs/dbraw/zinc/90/34/87/845903487.db2.gz	LEVVJJIUPUBNEZ-GOSISDBHSA-N	1	0	351.410	1.462	20	30		FDEDRO
CON=C(C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1)c1csc(N)n1	ZINC000899204644	845934459	/nfs/dbraw/zinc/93/44/59/845934459.db2.gz	DQCSHCJRSKCUJP-NSHDSACASA-N	1	0	360.443	1.208	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1=COCCC1)C2	ZINC001112281499	861639587	/nfs/dbraw/zinc/63/95/87/861639587.db2.gz	MAYSJNANXCPZQL-KNBMTAEXSA-N	1	0	361.486	1.590	20	30		FDEDRO
CON=C(C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C)c1csc(N)n1	ZINC000899809075	846724412	/nfs/dbraw/zinc/72/44/12/846724412.db2.gz	FCPCMRSKIUYFSG-NSHDSACASA-N	1	0	360.443	1.208	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(C)c(C)n4)[C@@H]3C2)C1=O	ZINC001076047718	847151959	/nfs/dbraw/zinc/15/19/59/847151959.db2.gz	AJUDESLAODWOCC-YTQUADARSA-N	1	0	368.481	1.632	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](CNc3ccc(C#N)nn3)C2)CC[N@@H+]1C	ZINC001060099171	847279863	/nfs/dbraw/zinc/27/98/63/847279863.db2.gz	UQEYGFKKESXCSJ-BHYGNILZSA-N	1	0	356.474	1.729	20	30		FDEDRO
COc1nn(C)cc1C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001076126289	847353946	/nfs/dbraw/zinc/35/39/46/847353946.db2.gz	SFBDKTIAFJMXSK-FUHWJXTLSA-N	1	0	365.437	1.647	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cccnc4OC)[C@@H]3C2)C1=O	ZINC001076204948	847554727	/nfs/dbraw/zinc/55/47/27/847554727.db2.gz	FXTAIJLLJPUGQP-BHYGNILZSA-N	1	0	370.453	1.023	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3CN(Cc4ccc(C#N)s4)C[C@H]32)C1	ZINC001076242638	847666091	/nfs/dbraw/zinc/66/60/91/847666091.db2.gz	MCWLOIWYMVJWAS-RLFYNMQTSA-N	1	0	358.511	1.994	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccn(C(C)C)n4)[C@@H]3C2)C1=O	ZINC001076311757	847834024	/nfs/dbraw/zinc/83/40/24/847834024.db2.gz	FTCJTEIPJZICJV-CGTJXYLNSA-N	1	0	371.485	1.397	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)nn1	ZINC001076335243	847880572	/nfs/dbraw/zinc/88/05/72/847880572.db2.gz	XMJJTUZYIYTRCP-PKOBYXMFSA-N	1	0	362.437	1.682	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cnccc4C)C[C@H]32)nn1	ZINC001076345008	847920563	/nfs/dbraw/zinc/92/05/63/847920563.db2.gz	JXDKQYZSTLDRAR-QFBILLFUSA-N	1	0	366.469	1.904	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)[C@@H]2C1	ZINC001076412209	848079437	/nfs/dbraw/zinc/07/94/37/848079437.db2.gz	UWKUDPZWGIIOBS-XYJFISCASA-N	1	0	359.474	1.427	20	30		FDEDRO
Cn1cncc1CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]21	ZINC001076461025	848207216	/nfs/dbraw/zinc/20/72/16/848207216.db2.gz	MUSSXKKYASLWOT-SUMWQHHRSA-N	1	0	355.467	1.629	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(Cc4cncc(F)c4)C[C@H]32)cn1	ZINC001076476986	848242222	/nfs/dbraw/zinc/24/22/22/848242222.db2.gz	KWAUOZMQMVPOPY-QFBILLFUSA-N	1	0	350.397	1.944	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CCn4nc(C)cc4C)C[C@H]32)cn1	ZINC001076477293	848244043	/nfs/dbraw/zinc/24/40/43/848244043.db2.gz	YLYKQZREEHUAGA-AZUAARDMSA-N	1	0	363.465	1.723	20	30		FDEDRO
COc1c(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)cnn1C	ZINC001076506688	848279174	/nfs/dbraw/zinc/27/91/74/848279174.db2.gz	ZXXQUZPCNLTLPR-FUHWJXTLSA-N	1	0	365.437	1.647	20	30		FDEDRO
Cc1nc[nH]c1CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]21	ZINC001076500648	848292604	/nfs/dbraw/zinc/29/26/04/848292604.db2.gz	IXVNTAACMYAHEH-SUMWQHHRSA-N	1	0	355.467	1.927	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)(F)F	ZINC000913336067	861892902	/nfs/dbraw/zinc/89/29/02/861892902.db2.gz	DDVMYPBRRTUTKA-XQLPTFJDSA-N	1	0	373.419	1.752	20	30		FDEDRO
C=C[C@H](C(=O)N1CC[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21)c1ccccc1	ZINC001076599517	848536896	/nfs/dbraw/zinc/53/68/96/848536896.db2.gz	SIPJPWDXJNGEQU-GBESFXJTSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(Cc4nccs4)C[C@H]32)CC1	ZINC001076604573	848553613	/nfs/dbraw/zinc/55/36/13/848553613.db2.gz	MPNYQBBAFRCMKL-DLBZAZTESA-N	1	0	358.511	1.521	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN([C@@H](C)c4ncc(C)o4)C[C@H]32)CC1	ZINC001076604871	848554390	/nfs/dbraw/zinc/55/43/90/848554390.db2.gz	VLDYHCUFWNRNBQ-YTQUADARSA-N	1	0	370.497	1.922	20	30		FDEDRO
CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001076617120	848583612	/nfs/dbraw/zinc/58/36/12/848583612.db2.gz	LKLLOBPQZNUCCY-XUVXKRRUSA-N	1	0	366.465	1.602	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C	ZINC001076707365	848784246	/nfs/dbraw/zinc/78/42/46/848784246.db2.gz	YBLICHGEPVXTPB-XSLAGTTESA-N	1	0	365.518	1.853	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(C)ccc2C)C[C@H]1O	ZINC001077158509	849951976	/nfs/dbraw/zinc/95/19/76/849951976.db2.gz	JFPZKRZRDYBVMQ-HSALFYBXSA-N	1	0	355.482	1.062	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CCO1	ZINC000903488266	850192192	/nfs/dbraw/zinc/19/21/92/850192192.db2.gz	WBIASIGCHPXHQG-ZANVPECISA-N	1	0	374.260	1.057	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1	ZINC000668390644	851152699	/nfs/dbraw/zinc/15/26/99/851152699.db2.gz	UAYQIUOHLGNFEG-IAGOWNOFSA-N	1	0	351.491	1.274	20	30		FDEDRO
N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)cc2)c1	ZINC000904616849	851314099	/nfs/dbraw/zinc/31/40/99/851314099.db2.gz	WQSWAXXOADGKHM-CZUORRHYSA-N	1	0	371.828	1.783	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1cc(Br)cn(C2CC2)c1=O	ZINC000913524656	862289359	/nfs/dbraw/zinc/28/93/59/862289359.db2.gz	WTZZPTRSBPIYJC-UHFFFAOYSA-N	1	0	352.232	1.241	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@@H](CNC(=O)OC(C)(C)C)C1CCOCC1	ZINC000913524495	862289818	/nfs/dbraw/zinc/28/98/18/862289818.db2.gz	ONWIEGARBCGLRI-INIZCTEOSA-N	1	0	367.490	1.235	20	30		FDEDRO
C#C[C@@H]([NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)C1CCOCC1	ZINC000905382193	851881035	/nfs/dbraw/zinc/88/10/35/851881035.db2.gz	QZKLGAKYKPLHBL-HZPDHXFCSA-N	1	0	372.531	1.006	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1	ZINC000913515498	862294754	/nfs/dbraw/zinc/29/47/54/862294754.db2.gz	YXEJJUZEMXJMLH-MRXNPFEDSA-N	1	0	361.873	1.873	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O	ZINC000913515539	862297251	/nfs/dbraw/zinc/29/72/51/862297251.db2.gz	BGDGRIUFYHILBE-CQSZACIVSA-N	1	0	351.859	1.824	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3	ZINC000913515566	862297523	/nfs/dbraw/zinc/29/75/23/862297523.db2.gz	CDEWFFRVTCSUPV-UHFFFAOYSA-N	1	0	372.494	1.408	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1	ZINC000913516239	862298652	/nfs/dbraw/zinc/29/86/52/862298652.db2.gz	HPQAPXDHNMUBPK-UHFFFAOYSA-N	1	0	363.874	1.568	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl	ZINC000913519068	862302402	/nfs/dbraw/zinc/30/24/02/862302402.db2.gz	MFVWFQOMFPRPSN-UHFFFAOYSA-N	1	0	369.874	1.175	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CC[C@@H](O)[C@@H](O)CC2)c(OC)c1	ZINC000905465020	851964523	/nfs/dbraw/zinc/96/45/23/851964523.db2.gz	JLWWSBBNLLYUMH-XLAORIBOSA-N	1	0	365.470	1.417	20	30		FDEDRO
CN(C)S(=O)(=O)Cc1ccc(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)cc1	ZINC000905515609	851972083	/nfs/dbraw/zinc/97/20/83/851972083.db2.gz	FKPGNNNVBLJVIB-IBGZPJMESA-N	1	0	373.478	1.773	20	30		FDEDRO
CCN(C(=O)C[NH2+]C[C@@H](O)COc1ccccc1C#N)c1ccccc1	ZINC000905518919	852011968	/nfs/dbraw/zinc/01/19/68/852011968.db2.gz	PWBPVBQCXMLIMS-GOSISDBHSA-N	1	0	353.422	1.941	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)c(OC)c1	ZINC000905572362	852045194	/nfs/dbraw/zinc/04/51/94/852045194.db2.gz	PWNNJQZIBRKOQX-YZLZLFLDSA-N	1	0	363.454	1.557	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1OC	ZINC001213221491	852052030	/nfs/dbraw/zinc/05/20/30/852052030.db2.gz	FQOBMJIGYBJMLV-LMMKCTJWSA-N	1	0	356.507	1.846	20	30		FDEDRO
COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]C[C@H](O)COc3ccc(CC#N)cc3)[C@@H]2C1	ZINC000905655690	852123110	/nfs/dbraw/zinc/12/31/10/852123110.db2.gz	YBUGNKTYXJJZMW-VYDRJQSISA-N	1	0	358.438	1.670	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1CCCCCN1C(=O)OC(C)(C)C	ZINC000905686120	852177307	/nfs/dbraw/zinc/17/73/07/852177307.db2.gz	BZQCOCFJFSAHMZ-IAGOWNOFSA-N	1	0	368.522	1.962	20	30		FDEDRO
CN1CC[N@H+](C)CC(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000905746257	852223905	/nfs/dbraw/zinc/22/39/05/852223905.db2.gz	VCHFVVDDGSPWSZ-UHFFFAOYSA-N	1	0	353.388	1.667	20	30		FDEDRO
C=CC[C@H](NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)C(=O)OC	ZINC000905758534	852248375	/nfs/dbraw/zinc/24/83/75/852248375.db2.gz	CRSYGJZXZHFGDP-NSHDSACASA-N	1	0	358.382	1.255	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]1[C@H](C)O)C(C)C	ZINC000668532203	852719930	/nfs/dbraw/zinc/71/99/30/852719930.db2.gz	XHSUMAZUNWDZFI-GVDBMIGSSA-N	1	0	351.491	1.173	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000906560512	852981721	/nfs/dbraw/zinc/98/17/21/852981721.db2.gz	KRHHZDSXUDIGAY-UHFFFAOYSA-N	1	0	368.481	1.484	20	30		FDEDRO
COc1ncccc1S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000906876861	853429117	/nfs/dbraw/zinc/42/91/17/853429117.db2.gz	NSXNPOBYQDEAFL-UHFFFAOYSA-N	1	0	374.466	1.714	20	30		FDEDRO
C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)C1	ZINC000906952086	853623135	/nfs/dbraw/zinc/62/31/35/853623135.db2.gz	WCSHOQZNMCLECL-NSHDSACASA-N	1	0	372.288	1.893	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@]2(C#N)CC3CCC2CC3)CC1	ZINC000907043199	853685694	/nfs/dbraw/zinc/68/56/94/853685694.db2.gz	MFONKSGSUQLMMS-TXTJOAKRSA-N	1	0	358.486	1.471	20	30		FDEDRO
C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000486138595	853782756	/nfs/dbraw/zinc/78/27/56/853782756.db2.gz	RGZRTHZEQVUAAD-KSSFIOAISA-N	1	0	354.454	1.933	20	30		FDEDRO
C=CCn1c([C@H]2CCOC2)nnc1N1CC[N@H+](CCOC)[C@H](CCC)C1	ZINC000508911100	862507083	/nfs/dbraw/zinc/50/70/83/862507083.db2.gz	GWXUKTNSMGWSKZ-DLBZAZTESA-N	1	0	363.506	1.905	20	30		FDEDRO
C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000907270299	853973908	/nfs/dbraw/zinc/97/39/08/853973908.db2.gz	NUKXYYPXDXVYIV-YLJYHZDGSA-N	1	0	370.453	1.017	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccncc3)CC2)nc1	ZINC000907280502	854018592	/nfs/dbraw/zinc/01/85/92/854018592.db2.gz	VOTHFQFHYLROQA-UHFFFAOYSA-N	1	0	371.466	1.539	20	30		FDEDRO
Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)N(C)CCC#N)C2)s1	ZINC000907347866	854056596	/nfs/dbraw/zinc/05/65/96/854056596.db2.gz	VEGUSADXGHJNOW-OAHLLOKOSA-N	1	0	370.544	1.901	20	30		FDEDRO
O=C1C=COC2(CCN(S(=O)(=O)C[C@@]34CC[N@H+](C3)CCC4)CC2)C1	ZINC000907513586	854333781	/nfs/dbraw/zinc/33/37/81/854333781.db2.gz	VOULFDUGJDRMHW-INIZCTEOSA-N	1	0	354.472	1.140	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000907720858	854563572	/nfs/dbraw/zinc/56/35/72/854563572.db2.gz	BRAVHJZLFDRVBS-RBUKOAKNSA-N	1	0	368.481	1.897	20	30		FDEDRO
N#CC1(CS(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CCCCC1	ZINC000908007995	854896955	/nfs/dbraw/zinc/89/69/55/854896955.db2.gz	UTUVNLSRFGVGCH-HZPDHXFCSA-N	1	0	355.504	1.321	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1	ZINC000908166906	855105960	/nfs/dbraw/zinc/10/59/60/855105960.db2.gz	ZVGIPMUZAAVXEN-HZPDHXFCSA-N	1	0	353.463	1.391	20	30		FDEDRO
COc1cc(CNC(=O)CCCN2CC[NH+](C(C)C)CC2)ccc1C#N	ZINC000908286386	855270598	/nfs/dbraw/zinc/27/05/98/855270598.db2.gz	UOCANGLZVPDGBJ-UHFFFAOYSA-N	1	0	358.486	1.989	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccccc2C)C[C@H]1OC	ZINC001212150419	862668474	/nfs/dbraw/zinc/66/84/74/862668474.db2.gz	XOHBXFAYQFCILY-CGTJXYLNSA-N	1	0	357.454	1.011	20	30		FDEDRO
C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1	ZINC000908649739	855656305	/nfs/dbraw/zinc/65/63/05/855656305.db2.gz	PZUMVOVVAQQPLE-QGZVFWFLSA-N	1	0	356.470	1.973	20	30		FDEDRO
C=CCn1c([C@H]2COCCO2)nnc1N1CCN(c2cc[nH+]cc2)[C@H](C)C1	ZINC000908655902	855660938	/nfs/dbraw/zinc/66/09/38/855660938.db2.gz	XRYROALQVMDDGP-NVXWUHKLSA-N	1	0	370.457	1.662	20	30		FDEDRO
C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc[nH+]cc2)[C@H](C)C1	ZINC000908662027	855664913	/nfs/dbraw/zinc/66/49/13/855664913.db2.gz	MTUPVQZULIAFEQ-OAHLLOKOSA-N	1	0	369.473	1.712	20	30		FDEDRO
C=CCn1c(C2CCOCC2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000908671891	855690985	/nfs/dbraw/zinc/69/09/85/855690985.db2.gz	HAZFNAHXNXUULH-MRXNPFEDSA-N	1	0	361.490	1.517	20	30		FDEDRO
C=CCn1c(-c2ncon2)nnc1N1CCN(c2cc[nH+]cc2)[C@H](C)C1	ZINC000908736291	855731130	/nfs/dbraw/zinc/73/11/30/855731130.db2.gz	IESVECYRJMSUHV-CYBMUJFWSA-N	1	0	352.402	1.624	20	30		FDEDRO
C=CCn1c(-c2ccc(=O)n(C)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1	ZINC000908741929	855739723	/nfs/dbraw/zinc/73/97/23/855739723.db2.gz	PUNZGZINVBHBDC-KRWDZBQOSA-N	1	0	368.485	1.894	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCc2cc(C#N)ccn2)CC1=O	ZINC000909243524	856318584	/nfs/dbraw/zinc/31/85/84/856318584.db2.gz	GEKALTMDAJPBSS-DOTOQJQBSA-N	1	0	356.426	1.329	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)OCc2cc(C#N)ccn2)CC1=O	ZINC000909243528	856318938	/nfs/dbraw/zinc/31/89/38/856318938.db2.gz	GEKALTMDAJPBSS-WBVHZDCISA-N	1	0	356.426	1.329	20	30		FDEDRO
C=CCC[C@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)OCC	ZINC000909274165	856351081	/nfs/dbraw/zinc/35/10/81/856351081.db2.gz	WAYFBVJYRTXMIQ-JCYILVPMSA-N	1	0	352.475	1.892	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCc3cc(OC)ccc3C2)CC1	ZINC000668835660	857452159	/nfs/dbraw/zinc/45/21/59/857452159.db2.gz	GIGMLDDFENZDIR-UHFFFAOYSA-N	1	0	357.454	1.347	20	30		FDEDRO
CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N(C)Cc1cc(C#N)cs1	ZINC000910667266	857485293	/nfs/dbraw/zinc/48/52/93/857485293.db2.gz	XYSUYDWGTAVQNK-OAHLLOKOSA-N	1	0	362.499	1.911	20	30		FDEDRO
C#CC[C@@H]1CCCN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)C1	ZINC000910836567	857739189	/nfs/dbraw/zinc/73/91/89/857739189.db2.gz	IKBRXCFQEPRYMV-MRXNPFEDSA-N	1	0	354.454	1.429	20	30		FDEDRO
CC1CCN(C(=O)C(=O)N(c2ccc(C#N)cn2)[C@@H]2CCC[NH2+]C2)CC1	ZINC000910858871	857788694	/nfs/dbraw/zinc/78/86/94/857788694.db2.gz	VOVGZZFOBRZZTM-MRXNPFEDSA-N	1	0	355.442	1.297	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CC[C@H](Cc2nccs2)C1)C1CC[NH+](C)CC1	ZINC000910886472	857839838	/nfs/dbraw/zinc/83/98/38/857839838.db2.gz	MDGCUPNYNUHJPD-OAHLLOKOSA-N	1	0	374.510	1.090	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CC[C@@H](c2nccs2)C1)C1CC[NH+](C)CC1	ZINC000910888172	857842306	/nfs/dbraw/zinc/84/23/06/857842306.db2.gz	XJSLEHYDZJQDAA-CQSZACIVSA-N	1	0	360.483	1.015	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1)c1ccc(C#N)cc1	ZINC000911134079	858198778	/nfs/dbraw/zinc/19/87/78/858198778.db2.gz	LUNOWPRDNBFYNQ-OASPWFOLSA-N	1	0	354.332	1.083	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC(CO)CC1	ZINC000669335025	862999657	/nfs/dbraw/zinc/99/96/57/862999657.db2.gz	OJKSELAVBHJPCS-SJORKVTESA-N	1	0	361.490	1.599	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCCC[C@H]2C2(C[NH3+])CCC2)c(F)c1	ZINC000911171698	858282623	/nfs/dbraw/zinc/28/26/23/858282623.db2.gz	KHMSICJSAHXMBE-KRWDZBQOSA-N	1	0	372.444	1.824	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCN(C)C(=O)[C@@H]1C	ZINC000669335571	863006469	/nfs/dbraw/zinc/00/64/69/863006469.db2.gz	NRSHCLUUUZVDLQ-XHSDSOJGSA-N	1	0	374.489	1.057	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1C#N	ZINC000911436840	858618557	/nfs/dbraw/zinc/61/85/57/858618557.db2.gz	WQUOWDWZLNRDPC-ZIAGYGMSSA-N	1	0	368.359	1.079	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@@H](O)C2)cc1	ZINC001083645333	858619391	/nfs/dbraw/zinc/61/93/91/858619391.db2.gz	WFNUVNNCVSBECW-MOPGFXCFSA-N	1	0	361.405	1.181	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)[C@@]3(c4ccccc4)C[C@H]([NH3+])C3)CC2)c1	ZINC000911637308	858843075	/nfs/dbraw/zinc/84/30/75/858843075.db2.gz	SZRJZMLLRPDLLF-XGAFWQRZSA-N	1	0	361.449	1.661	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)CNC(=O)N3CCCC3)CC2)c1	ZINC000911921430	859110807	/nfs/dbraw/zinc/11/08/07/859110807.db2.gz	IWWYQOMCAGRRKZ-UHFFFAOYSA-N	1	0	369.469	1.444	20	30		FDEDRO
C[N@@H+]1CCC[C@](O)(CC(=O)NC2(c3cccc(C#N)c3)CCOCC2)C1	ZINC000912514649	859837618	/nfs/dbraw/zinc/83/76/18/859837618.db2.gz	OUZLXUMRNTVYIA-IBGZPJMESA-N	1	0	357.454	1.527	20	30		FDEDRO
CCCC[NH+]=C(NCCS(=O)(=O)N1CCSCC1)NC(C)(C)C	ZINC000912497380	859848172	/nfs/dbraw/zinc/84/81/72/859848172.db2.gz	RYEAQWAVSIQWNI-UHFFFAOYSA-N	1	0	364.581	1.499	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@](C)(NC(C)=O)C2CC2)C[C@H]1C	ZINC001106868616	881485405	/nfs/dbraw/zinc/48/54/05/881485405.db2.gz	JVNBKEPQULYVSG-OGWOLHLISA-N	1	0	351.491	1.178	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCOC2(CCC2)C1	ZINC000669034816	860849175	/nfs/dbraw/zinc/84/91/75/860849175.db2.gz	YDYXWUHVPYVQEB-CVEARBPZSA-N	1	0	359.474	1.759	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@@H](CC(N)=O)C1	ZINC000669034315	860854795	/nfs/dbraw/zinc/85/47/95/860854795.db2.gz	KPFBCPQJGIAELB-XHSDSOJGSA-N	1	0	374.489	1.092	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCN(C(C)=O)C[C@H]1C	ZINC000669033320	860874009	/nfs/dbraw/zinc/87/40/09/860874009.db2.gz	MDAZYRNZGSVYAE-OIISXLGYSA-N	1	0	374.489	1.057	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2cnc(C)cn2)C[C@H]1C	ZINC001105783514	863166528	/nfs/dbraw/zinc/16/65/28/863166528.db2.gz	BXAXLHGWNLKMGV-ZWNOBZJWSA-N	1	0	353.264	1.991	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCC[N@H+]1C	ZINC001004809979	881634390	/nfs/dbraw/zinc/63/43/90/881634390.db2.gz	NXBFQTROAKHTFF-YSTOQKLRSA-N	1	0	365.477	1.553	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H]2CCCCO2)C1	ZINC001112101179	863275827	/nfs/dbraw/zinc/27/58/27/863275827.db2.gz	BKMUASNVLVJKEZ-RRFJBIMHSA-N	1	0	362.392	1.574	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2C[C@@H](C[C@@H]3COCC[NH2+]3)c3ccccc32)o1	ZINC000923745520	863314444	/nfs/dbraw/zinc/31/44/44/863314444.db2.gz	UXXHOFKSYXUOMT-ZIAGYGMSSA-N	1	0	373.434	1.822	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(C)n2)C[C@H]1C	ZINC001105827863	863380977	/nfs/dbraw/zinc/38/09/77/863380977.db2.gz	XCXCCKDNUSIULA-NVXWUHKLSA-N	1	0	371.485	1.450	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccn2C)C[C@H]1C	ZINC001105833695	863412403	/nfs/dbraw/zinc/41/24/03/863412403.db2.gz	FJWYONHFOPVKJP-IAGOWNOFSA-N	1	0	358.486	1.523	20	30		FDEDRO
CCCN(CCC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C	ZINC001105846073	863474442	/nfs/dbraw/zinc/47/44/42/863474442.db2.gz	HEUMBINJYYAOHW-HZPDHXFCSA-N	1	0	368.547	1.576	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]CC(=O)NCCC(C)(C)C	ZINC001105846374	863476252	/nfs/dbraw/zinc/47/62/52/863476252.db2.gz	SYMKNBDYXYNDPN-HUUCEWRRSA-N	1	0	368.547	1.480	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]C[C@H](O)c1ccccc1F	ZINC001105850495	863489537	/nfs/dbraw/zinc/48/95/37/863489537.db2.gz	PROUYQUJZFDYAM-CPUCHLNUSA-N	1	0	365.474	1.800	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCOC3)C[C@H]2C)c1	ZINC001105908842	863910220	/nfs/dbraw/zinc/91/02/20/863910220.db2.gz	ABJUUEOGWITHIR-BPQIPLTHSA-N	1	0	369.465	1.327	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C2CC2)[C@H](C)C1	ZINC001105915072	863972667	/nfs/dbraw/zinc/97/26/67/863972667.db2.gz	QXSZTLSTIQGPKG-QLFBSQMISA-N	1	0	362.478	1.173	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NCCCOCC)[C@H](C)C1	ZINC001105923789	864042370	/nfs/dbraw/zinc/04/23/70/864042370.db2.gz	HZYGQFDUPYZNFI-IXDOHACOSA-N	1	0	353.507	1.568	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)COCC(F)(F)F)[C@H](C)C1	ZINC001105929488	864069547	/nfs/dbraw/zinc/06/95/47/864069547.db2.gz	RZIGGNVBEPXLFU-MCIONIFRSA-N	1	0	352.397	1.577	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NCCC(C)C)[C@H](C)C1	ZINC001105937860	864130205	/nfs/dbraw/zinc/13/02/05/864130205.db2.gz	IYHNNDOXYANMNN-BRWVUGGUSA-N	1	0	353.507	1.424	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)N(CC)CC(=C)C)[C@H](C)C1	ZINC001105937650	864130238	/nfs/dbraw/zinc/13/02/38/864130238.db2.gz	DNXHXKHPNZDYCL-FGTMMUONSA-N	1	0	365.518	1.686	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2nc(-c3ccco3)no2)[C@H](C)C1	ZINC001105942693	864162041	/nfs/dbraw/zinc/16/20/41/864162041.db2.gz	MHAKRHKCFAFXHB-ZIAGYGMSSA-N	1	0	360.414	1.716	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000761172805	864272995	/nfs/dbraw/zinc/27/29/95/864272995.db2.gz	BIMJLDMHTSDKHN-XHDPSFHLSA-N	1	0	360.389	1.265	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]CCCO[C@H]1CCOC1	ZINC001105989294	864381817	/nfs/dbraw/zinc/38/18/17/864381817.db2.gz	WIZGOSKHIVMDFW-OIISXLGYSA-N	1	0	360.458	1.380	20	30		FDEDRO
CC(C)CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC001106020288	864717451	/nfs/dbraw/zinc/71/74/51/864717451.db2.gz	AMDXTXUBGDXGHX-RBSFLKMASA-N	1	0	359.474	1.345	20	30		FDEDRO
CCCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC001106020924	864724993	/nfs/dbraw/zinc/72/49/93/864724993.db2.gz	OJDQJZPNWGRCKT-QLFBSQMISA-N	1	0	359.474	1.489	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2csnc2C)C[C@H]1C	ZINC001106022828	864739812	/nfs/dbraw/zinc/73/98/12/864739812.db2.gz	VBWKDBBCIMRLGP-MRVWCRGKSA-N	1	0	350.488	1.440	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCOCC2)[C@H](C)C1	ZINC001106026169	864811760	/nfs/dbraw/zinc/81/17/60/864811760.db2.gz	ZJLGEMKGLSGCKX-IAGOWNOFSA-N	1	0	363.502	1.159	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+]CC2(CS(C)(=O)=O)CC2)[C@H](C)C1	ZINC001106026173	864812334	/nfs/dbraw/zinc/81/23/34/864812334.db2.gz	ZQEKONZKJRFSAD-IAGOWNOFSA-N	1	0	368.543	1.689	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+]CCOCCNC(C)=O)[C@H](C)C1	ZINC001106025835	864814033	/nfs/dbraw/zinc/81/40/33/864814033.db2.gz	JSIUWUBAODOEJA-SJLPKXTDSA-N	1	0	351.491	1.017	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]CCCO[C@@H]1CCOC1	ZINC001106027740	864868096	/nfs/dbraw/zinc/86/80/96/864868096.db2.gz	DVWQDNXLGFPMSQ-QGPMSJSTSA-N	1	0	360.458	1.380	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2cc(C#N)ccc2F)[C@H](C)C1	ZINC001106029152	864875158	/nfs/dbraw/zinc/87/51/58/864875158.db2.gz	ILMXCOPMGURMJL-RHSMWYFYSA-N	1	0	370.428	1.021	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2cc(C)cc(C)c2)[C@H](C)C1	ZINC001106029130	864875506	/nfs/dbraw/zinc/87/55/06/864875506.db2.gz	HPJBUEUPOVQPCN-IEBWSBKVSA-N	1	0	355.482	1.627	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C)C(=O)N1CCCCC1	ZINC001106029396	864878716	/nfs/dbraw/zinc/87/87/16/864878716.db2.gz	PBUSVDNMXIUGGQ-HLLBOEOZSA-N	1	0	371.485	1.585	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@@H+](CCOc2cccc(OC)c2)C[C@H]1OC	ZINC001212187231	864900974	/nfs/dbraw/zinc/90/09/74/864900974.db2.gz	MJCYKRKHLDFTGP-RTBURBONSA-N	1	0	360.454	1.693	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)COC(C)(C)C)C[C@H]2C)C1=O	ZINC001106031133	864903790	/nfs/dbraw/zinc/90/37/90/864903790.db2.gz	RLCNUSDIVZMCMW-OAGGEKHMSA-N	1	0	351.491	1.273	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106031537	864908630	/nfs/dbraw/zinc/90/86/30/864908630.db2.gz	BNBWZPCEFROAOX-NVXWUHKLSA-N	1	0	351.454	1.352	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1CN(C[C@@H](O)c2ccccc2Cl)C[C@H]1OC	ZINC001212187483	864940581	/nfs/dbraw/zinc/94/05/81/864940581.db2.gz	VJDLTRQQKXCLMW-KZNAEPCWSA-N	1	0	364.873	1.992	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccccc2)[C@H](C)C1	ZINC001106059334	865070269	/nfs/dbraw/zinc/07/02/69/865070269.db2.gz	SAGJEAKZYPOORH-JXXFODFXSA-N	1	0	359.470	1.636	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccoc2Cl)C[C@H]1C	ZINC001106059516	865071287	/nfs/dbraw/zinc/07/12/87/865071287.db2.gz	XNZNUAFYQJCPHM-FRRDWIJNSA-N	1	0	351.834	1.369	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nc(C(F)F)no2)[C@H](C)C1	ZINC001106058623	865072521	/nfs/dbraw/zinc/07/25/21/865072521.db2.gz	GYQRZGIPBJHFOG-GLKRBJQHSA-N	1	0	358.389	1.518	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)[C@H](C)C1	ZINC001106066224	865123469	/nfs/dbraw/zinc/12/34/69/865123469.db2.gz	ZRHXETSIQDXBGJ-IXDOHACOSA-N	1	0	354.516	1.299	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C2=NN(c3ccccc3)[C@@H](C(C)=O)C2)CC1	ZINC000171716655	865317198	/nfs/dbraw/zinc/31/71/98/865317198.db2.gz	SXXZGGRDOSNZON-LJQANCHMSA-N	1	0	354.454	1.977	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCCN2CCCC2=O)[C@@H]1C	ZINC001088913890	865409159	/nfs/dbraw/zinc/40/91/59/865409159.db2.gz	VRZRWYGBIPZRIH-DFEOGRTESA-N	1	0	363.502	1.559	20	30		FDEDRO
COc1ncc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)cn1	ZINC001088956472	865705277	/nfs/dbraw/zinc/70/52/77/865705277.db2.gz	SLBZTSNZTIJHOP-DYVFJYSZSA-N	1	0	351.410	1.750	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)CC(F)(F)F)C[C@H]1C	ZINC001106887418	881935431	/nfs/dbraw/zinc/93/54/31/881935431.db2.gz	OAZSCMJTOLEWGF-MGPQQGTHSA-N	1	0	361.408	1.399	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C[NH2+]CC#Cc1cccc(Cl)c1	ZINC001106084173	866364059	/nfs/dbraw/zinc/36/40/59/866364059.db2.gz	BNYLLJKIXCLXSG-GDBMZVCRSA-N	1	0	371.872	1.818	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccc(CO)cc3)[C@@H]2C)CC1	ZINC001089059274	866383396	/nfs/dbraw/zinc/38/33/96/866383396.db2.gz	GYAMIJSGXYPTSE-UTKZUKDTSA-N	1	0	369.509	1.603	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@H](OC)C1	ZINC000946770644	881979375	/nfs/dbraw/zinc/97/93/75/881979375.db2.gz	QGLLTVPUGNFNEF-BZUAXINKSA-N	1	0	351.491	1.415	20	30		FDEDRO
CCn1nc(C)c(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)n1	ZINC001089081730	866592355	/nfs/dbraw/zinc/59/23/55/866592355.db2.gz	SAYBOSKWSGPXPM-PBHICJAKSA-N	1	0	352.442	1.871	20	30		FDEDRO
CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1	ZINC000456562479	866967056	/nfs/dbraw/zinc/96/70/56/866967056.db2.gz	VPOWWNDBKDVWIW-CQSZACIVSA-N	1	0	352.442	1.882	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)[C@H](OC)C2)C1	ZINC000946778531	882086863	/nfs/dbraw/zinc/08/68/63/882086863.db2.gz	RKXGKOWDYSDMPX-HZPDHXFCSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1	ZINC000992070838	867647306	/nfs/dbraw/zinc/64/73/06/867647306.db2.gz	FXIHROQCQXAYMG-NXHRZFHOSA-N	1	0	363.502	1.273	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)Cc3ccccc3)C[C@H]2O)cc1	ZINC001077493740	867961789	/nfs/dbraw/zinc/96/17/89/867961789.db2.gz	ISOGGKMABVHGMG-PWRODBHTSA-N	1	0	364.445	1.046	20	30		FDEDRO
C=CCn1c(-c2ccoc2)nnc1N1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000508866610	868260570	/nfs/dbraw/zinc/26/05/70/868260570.db2.gz	LXRHMALUIMORSS-UHFFFAOYSA-N	1	0	358.446	1.324	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc3c(c2)nnn3C)[C@H](C)C1	ZINC001106111770	868394358	/nfs/dbraw/zinc/39/43/58/868394358.db2.gz	RMYMXTKEGVHMDA-HLLBOEOZSA-N	1	0	369.469	1.191	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2nc(COC)no2)[C@H](C)C1	ZINC001106115130	868513613	/nfs/dbraw/zinc/51/36/13/868513613.db2.gz	PSSODGYCHHHIHI-QLFBSQMISA-N	1	0	364.446	1.001	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cn(C)nc2C(F)F)[C@H](C)C1	ZINC001106116896	868581499	/nfs/dbraw/zinc/58/14/99/868581499.db2.gz	RYIXMQLRXRVBKI-HZSPNIEDSA-N	1	0	368.428	1.580	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cn(C(C)C)nc2C)[C@H](C)C1	ZINC001106116826	868581812	/nfs/dbraw/zinc/58/18/12/868581812.db2.gz	PAYGIVITHHBQIT-KBAYOESNSA-N	1	0	360.502	1.995	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NC)[C@H](C)C2)cc1	ZINC001106120384	868726226	/nfs/dbraw/zinc/72/62/26/868726226.db2.gz	TZHYRVCJFCHELJ-NVXWUHKLSA-N	1	0	357.454	1.132	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CCS(=O)(=O)NC)C[C@H]1C	ZINC001106122870	868880146	/nfs/dbraw/zinc/88/01/46/868880146.db2.gz	HANPXNPWYJPJMM-HZPDHXFCSA-N	1	0	361.552	1.580	20	30		FDEDRO
Cc1oc(C(C)C)nc1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106124667	868921029	/nfs/dbraw/zinc/92/10/29/868921029.db2.gz	XPLYRRVZSCORSJ-TZMCWYRMSA-N	1	0	361.446	1.044	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000992311395	868950952	/nfs/dbraw/zinc/95/09/52/868950952.db2.gz	YMEWXNXZPNJLMD-DNVCBOLYSA-N	1	0	371.481	1.461	20	30		FDEDRO
COc1ccc([C@H](CCO)[NH2+]CC(=O)NCc2ccc(C#N)cc2)cc1	ZINC000271735639	869087649	/nfs/dbraw/zinc/08/76/49/869087649.db2.gz	ZIUHTZWCUBGGFM-IBGZPJMESA-N	1	0	353.422	1.896	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NC12CC[NH+](CC1)C2	ZINC000913635653	869268694	/nfs/dbraw/zinc/26/86/94/869268694.db2.gz	MNFIPWUQOQVSDP-AWEZNQCLSA-N	1	0	350.463	1.928	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccnn2CC(F)F)C[C@H]1C	ZINC001106131008	869291554	/nfs/dbraw/zinc/29/15/54/869291554.db2.gz	JJMXHVBCMYJKFM-ZIAGYGMSSA-N	1	0	354.401	1.096	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1	ZINC001060419872	869497601	/nfs/dbraw/zinc/49/76/01/869497601.db2.gz	IWOXMSVLHXUOLQ-ZACQAIPSSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1	ZINC000913794563	869654851	/nfs/dbraw/zinc/65/48/51/869654851.db2.gz	CJIAKQKDAZLFAE-IXDOHACOSA-N	1	0	351.491	1.153	20	30		FDEDRO
COc1cccc([C@@H](CNC(=O)N2C[C@@H](C)N(CC#N)[C@@H](C)C2)[NH+](C)C)c1	ZINC000913890098	869916687	/nfs/dbraw/zinc/91/66/87/869916687.db2.gz	MOQNGWPZXSCCCL-JTDSTZFVSA-N	1	0	373.501	1.926	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cnon3)C[C@H]2CC1	ZINC000946819243	882362661	/nfs/dbraw/zinc/36/26/61/882362661.db2.gz	XHMVIKCQBAFUSJ-MVJTYMMSSA-N	1	0	360.458	1.721	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C(=O)N(C)C)cc2)C[C@H]1C	ZINC001106888173	882404770	/nfs/dbraw/zinc/40/47/70/882404770.db2.gz	AFVLHPHTDLVSBB-VQIMIIECSA-N	1	0	371.481	1.336	20	30		FDEDRO
C#CCN(C(=O)NCc1ccc(OCCOC)cc1)C1CC[NH+](C)CC1	ZINC000914111702	870836561	/nfs/dbraw/zinc/83/65/61/870836561.db2.gz	NEOSOQRDWBIVOS-UHFFFAOYSA-N	1	0	359.470	1.951	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1C[C@H](C)O[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000914144450	871078885	/nfs/dbraw/zinc/07/88/85/871078885.db2.gz	AMMVGKPFVAVZLJ-HNAYVOBHSA-N	1	0	367.490	1.731	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)CCC4CC4)C[C@]3(C)C2)CC1	ZINC000992702848	871411001	/nfs/dbraw/zinc/41/10/01/871411001.db2.gz	FQPCXRURHMNFNP-SIKLNZKXSA-N	1	0	371.525	1.829	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1	ZINC000672783136	871708147	/nfs/dbraw/zinc/70/81/47/871708147.db2.gz	TYSVPYYLQLXWIK-IAGOWNOFSA-N	1	0	350.507	1.086	20	30		FDEDRO
CC(C)OCC[NH+]1CCC(NS(=O)(=O)Cc2csc(C#N)c2)CC1	ZINC000914217934	871875480	/nfs/dbraw/zinc/87/54/80/871875480.db2.gz	QBJCDVLIFCKFCT-UHFFFAOYSA-N	1	0	371.528	1.929	20	30		FDEDRO
C#CC[C@@H](CO)NC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1	ZINC000914270907	872099901	/nfs/dbraw/zinc/09/99/01/872099901.db2.gz	ITJYXKJEOAOYDX-WMZOPIPTSA-N	1	0	359.470	1.906	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C3)CC1	ZINC001003058428	872455175	/nfs/dbraw/zinc/45/51/75/872455175.db2.gz	LUHQITRLWWRQIE-IVDHNXQLSA-N	1	0	369.509	1.626	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)[C@H](OC)C1	ZINC001212499522	872604125	/nfs/dbraw/zinc/60/41/25/872604125.db2.gz	ZBIITMHUZIZUGC-HUUCEWRRSA-N	1	0	350.463	1.339	20	30		FDEDRO
C#Cc1cncc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C3)c1	ZINC001003132250	872618921	/nfs/dbraw/zinc/61/89/21/872618921.db2.gz	KMKNZNKGZXDPOY-PYJZQUQOSA-N	1	0	366.465	1.265	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cnn(C(C)(C)C)c2)[C@H](OC)C1	ZINC001212500755	872655118	/nfs/dbraw/zinc/65/51/18/872655118.db2.gz	NEUGLZPJJZMESS-HZPDHXFCSA-N	1	0	350.463	1.270	20	30		FDEDRO
CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)CC(C)(C)C#N	ZINC000914401684	872718388	/nfs/dbraw/zinc/71/83/88/872718388.db2.gz	USLJTULCUJOVQW-SFHVURJKSA-N	1	0	365.499	1.435	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2sc(Cl)nc2C)C[C@H]1C	ZINC001106182379	873029916	/nfs/dbraw/zinc/02/99/16/873029916.db2.gz	RWCBWEHGUWIXSR-ZYHUDNBSSA-N	1	0	370.906	1.705	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)nc(C)c2)C[C@H]1C	ZINC001106182365	873030656	/nfs/dbraw/zinc/03/06/56/873030656.db2.gz	RGIGNEJWIIUVSC-MZMPZRCHSA-N	1	0	356.470	1.134	20	30		FDEDRO
C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1CN(C(=O)[C@@H]1CCCc3nccn31)C2	ZINC000992894233	873102874	/nfs/dbraw/zinc/10/28/74/873102874.db2.gz	DACCFDGMQYLDTC-XGHQBKJUSA-N	1	0	366.465	1.481	20	30		FDEDRO
C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2	ZINC000992898258	873138619	/nfs/dbraw/zinc/13/86/19/873138619.db2.gz	JUDRXZVHYJXUTI-CZTZKLFOSA-N	1	0	369.509	1.581	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2)[C@@H](n2ccnn2)C1	ZINC001128688307	882697002	/nfs/dbraw/zinc/69/70/02/882697002.db2.gz	BYFUDCSGLJACEZ-SJORKVTESA-N	1	0	359.478	1.637	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1	ZINC000992942244	873323406	/nfs/dbraw/zinc/32/34/06/873323406.db2.gz	NIRRLOIGFMLMKZ-XGHQBKJUSA-N	1	0	370.497	1.546	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC)[C@H](C)C1)OCC	ZINC001106197451	873461485	/nfs/dbraw/zinc/46/14/85/873461485.db2.gz	XNAKPIQXSPIQLK-ZACQAIPSSA-N	1	0	353.507	1.520	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C[C@H]1C	ZINC001106202732	873672983	/nfs/dbraw/zinc/67/29/83/873672983.db2.gz	BFKXOTBCLVXJGL-KZNAEPCWSA-N	1	0	365.518	1.378	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)[C@@H](C)C4CC4)C[C@@]3(C)C2)CC1	ZINC000993017260	873691531	/nfs/dbraw/zinc/69/15/31/873691531.db2.gz	CKTCBCDQEHRZDL-NBCNXNJRSA-N	1	0	371.525	1.685	20	30		FDEDRO
C[C@@]12CN(C(=O)C#CC3CC3)C[C@@H]1CN(C(=O)CC[NH+]1CCCCC1)C2	ZINC000993018293	873697463	/nfs/dbraw/zinc/69/74/63/873697463.db2.gz	HGMVVRVMGOVEDV-NQIIRXRSSA-N	1	0	357.498	1.583	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C)C1	ZINC000993027964	873757303	/nfs/dbraw/zinc/75/73/03/873757303.db2.gz	YZOFYJKZKGGPKD-DXIQSLLYSA-N	1	0	371.525	1.970	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000761662247	873883408	/nfs/dbraw/zinc/88/34/08/873883408.db2.gz	BBFQNSDCCJDQFX-JKSUJKDBSA-N	1	0	362.405	1.791	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCn2ccnn2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001106240532	874083061	/nfs/dbraw/zinc/08/30/61/874083061.db2.gz	DUCIPHRNUFZUMU-VQIMIIECSA-N	1	0	366.469	1.814	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2[nH]cnc2C(F)(F)F)C[C@H]1C	ZINC001106255338	874167022	/nfs/dbraw/zinc/16/70/22/874167022.db2.gz	NIXMOBNGTRXJJL-VXGBXAGGSA-N	1	0	360.380	1.929	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC[NH+]([C@H](C)C(=O)N(C)C)CC1	ZINC001003763563	874191354	/nfs/dbraw/zinc/19/13/54/874191354.db2.gz	OKFMSCKGECXEGS-PVAVHDDUSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc(CC)n2)C[C@H]1C	ZINC001106259363	874200147	/nfs/dbraw/zinc/20/01/47/874200147.db2.gz	HPZOYKUIDZIPNR-OWCLPIDISA-N	1	0	358.486	1.632	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnc(C3CC3)o2)C[C@H]1C	ZINC001106264323	874245579	/nfs/dbraw/zinc/24/55/79/874245579.db2.gz	CLGFDFWCGNGYBW-VNHYZAJKSA-N	1	0	360.458	1.540	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccn(CC(F)F)n2)C[C@H]1C	ZINC001106288084	874511082	/nfs/dbraw/zinc/51/10/82/874511082.db2.gz	CQLMSWTUJZGSPD-ZIAGYGMSSA-N	1	0	356.417	1.649	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cscc2Cl)C[C@H]1C	ZINC001106291246	874537583	/nfs/dbraw/zinc/53/75/83/874537583.db2.gz	XOCYBSZYCHMVSZ-JHJVBQTASA-N	1	0	367.902	1.837	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1)S(C)(=O)=O	ZINC001106324471	874781993	/nfs/dbraw/zinc/78/19/93/874781993.db2.gz	RDEBPISKAPCQQN-SOLBZPMBSA-N	1	0	362.495	1.155	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)c2c(C)n[nH]c2C)C[C@H]1C	ZINC001106340112	874837351	/nfs/dbraw/zinc/83/73/51/874837351.db2.gz	MAPBRFXITKZAAB-HDMKZQKVSA-N	1	0	360.502	1.854	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccncc2CC)C[C@H]1C	ZINC001106350458	874870344	/nfs/dbraw/zinc/87/03/44/874870344.db2.gz	JGLNSYQIDYHTIE-HLLBOEOZSA-N	1	0	356.470	1.080	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)cc(C)n2)C[C@H]1C	ZINC001106355605	874887008	/nfs/dbraw/zinc/88/70/08/874887008.db2.gz	NUHQMSVMSGYVNQ-DJIMGWMZSA-N	1	0	356.470	1.134	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(F)ccc2CC)C[C@H]1C	ZINC001106372904	874976675	/nfs/dbraw/zinc/97/66/75/874976675.db2.gz	RLXISFKBLJCKJY-GDBMZVCRSA-N	1	0	359.445	1.435	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2cc(C)ccc2OC)C[C@H]1C	ZINC001106389522	875044916	/nfs/dbraw/zinc/04/49/16/875044916.db2.gz	PATPXCQKZHYLPO-IEBWSBKVSA-N	1	0	358.482	1.880	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)ccc2OC)C[C@H]1C	ZINC001106392472	875059864	/nfs/dbraw/zinc/05/98/64/875059864.db2.gz	RLPWNBUNELXSEE-IXDOHACOSA-N	1	0	371.481	1.439	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1C	ZINC001106393980	875076509	/nfs/dbraw/zinc/07/65/09/875076509.db2.gz	FKBSDGMTQCSKEM-BRWVUGGUSA-N	1	0	356.532	1.852	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C)c(OC)c2)C[C@H]1C	ZINC001106394617	875084911	/nfs/dbraw/zinc/08/49/11/875084911.db2.gz	DJCCGRWXMYZCJE-NVXWUHKLSA-N	1	0	357.454	1.051	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)CC4(C)CC4)C[C@]3(C)C2)CC1	ZINC000993155955	875085893	/nfs/dbraw/zinc/08/58/93/875085893.db2.gz	NHRYZAJZTFFDDU-PGRDOPGGSA-N	1	0	371.525	1.829	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](NC(C)=O)C2CCCC2)C[C@H]1C	ZINC001106403353	875131437	/nfs/dbraw/zinc/13/14/37/875131437.db2.gz	XSEUJTUXQYRDHE-LZQZEXGQSA-N	1	0	365.518	1.568	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c(C)cncc2C)C[C@H]1C	ZINC001106422143	875221041	/nfs/dbraw/zinc/22/10/41/875221041.db2.gz	OYOKZHOFIALNJS-BRWVUGGUSA-N	1	0	356.470	1.134	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(F)c[nH]2)C[C@H]1C	ZINC001106444833	875326917	/nfs/dbraw/zinc/32/69/17/875326917.db2.gz	NJZZWTXBEQFRPR-HUUCEWRRSA-N	1	0	364.465	1.876	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@]23C[C@H]2CCC3)C[C@H]1C	ZINC001106453729	875388812	/nfs/dbraw/zinc/38/88/12/875388812.db2.gz	UEKXRZYMYHFQRS-WOCWXWTJSA-N	1	0	360.502	1.623	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCC)[C@H](C)C1	ZINC001106486425	875641457	/nfs/dbraw/zinc/64/14/57/875641457.db2.gz	SIQSEQJXYWVSLD-GPMSIDNRSA-N	1	0	353.507	1.426	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cncn3)nc2)C[C@H]1C	ZINC001106502136	875729300	/nfs/dbraw/zinc/72/93/00/875729300.db2.gz	QVFDEVVBJSCYMO-NVXWUHKLSA-N	1	0	354.458	1.926	20	30		FDEDRO
COc1ccccc1[C@@H](O)C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1	ZINC000915225913	875792211	/nfs/dbraw/zinc/79/22/11/875792211.db2.gz	GFBHCKFIPPPKPY-LPHOPBHVSA-N	1	0	356.422	1.824	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N[C@H](C)CC)[C@H](C)C2)cc1	ZINC001106512029	875798443	/nfs/dbraw/zinc/79/84/43/875798443.db2.gz	ASXBTLQVIBRZKL-GPMSIDNRSA-N	1	0	355.482	1.880	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CCC)OC)C[C@H]1C	ZINC001106518010	875814356	/nfs/dbraw/zinc/81/43/56/875814356.db2.gz	CBDWNSZPAAZZJG-KZNAEPCWSA-N	1	0	367.534	1.910	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cncc(OC(C)C)c2)C[C@H]1C	ZINC001106521391	875840671	/nfs/dbraw/zinc/84/06/71/875840671.db2.gz	OKAVPRQFGIPVEW-SJLPKXTDSA-N	1	0	359.470	1.816	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCOCC2)[C@H](C)C1	ZINC001106527163	875846225	/nfs/dbraw/zinc/84/62/25/875846225.db2.gz	KCUJLLFAXPBQQD-HUUCEWRRSA-N	1	0	351.491	1.178	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCNC(=O)C2N=CC=CC2=O)CCN1c1cc[nH+]cc1	ZINC000915281932	875931765	/nfs/dbraw/zinc/93/17/65/875931765.db2.gz	BJWHWKKGMVLQCS-ORIGZDJFSA-N	1	0	369.425	1.035	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)C2CC2)C[C@H]1C	ZINC001106563055	875961716	/nfs/dbraw/zinc/96/17/16/875961716.db2.gz	LOGABSOXDSILKD-ZIAGYGMSSA-N	1	0	364.490	1.119	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)Nc2ncccn2)[C@H](C)C1	ZINC001106559194	875966311	/nfs/dbraw/zinc/96/63/11/875966311.db2.gz	ISPLHOAMIRQUEL-BRWVUGGUSA-N	1	0	371.485	1.681	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCOC)[C@H](C)C1	ZINC001106567687	875976966	/nfs/dbraw/zinc/97/69/66/875976966.db2.gz	PUHQQZKSUQQBEV-BRWVUGGUSA-N	1	0	353.507	1.426	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nc(Cl)cs2)C[C@H]1C	ZINC001106579510	876022746	/nfs/dbraw/zinc/02/27/46/876022746.db2.gz	OVQSMUCHFGPPNH-GHMZBOCLSA-N	1	0	356.879	1.396	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c(F)cccc2F)C[C@H]1C	ZINC001106602847	876124289	/nfs/dbraw/zinc/12/42/89/876124289.db2.gz	UVPLRHJPKRCCJU-ZIAGYGMSSA-N	1	0	365.424	1.494	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106606378	876168624	/nfs/dbraw/zinc/16/86/24/876168624.db2.gz	HEASYFZVHQNABF-GDBMZVCRSA-N	1	0	357.429	1.127	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)CC)C[C@H]1C	ZINC001106606386	876168785	/nfs/dbraw/zinc/16/87/85/876168785.db2.gz	HLIQMYXQRXLFHY-RBSFLKMASA-N	1	0	366.506	1.507	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCOCC)[C@H](C)C1	ZINC001106629443	876277822	/nfs/dbraw/zinc/27/78/22/876277822.db2.gz	LTWGVKKDMLSBAJ-MDZRGWNJSA-N	1	0	353.507	1.426	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H](C[NH2+]CCOCCNC(C)=O)[C@H](C)C2)CC1	ZINC001106633591	876283844	/nfs/dbraw/zinc/28/38/44/876283844.db2.gz	OCFRTSGUSPLMNG-SJLPKXTDSA-N	1	0	365.518	1.570	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCCC(=O)N2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106655680	876418413	/nfs/dbraw/zinc/41/84/13/876418413.db2.gz	YYQSTSSTIWLUKA-MISYRCLQSA-N	1	0	367.493	1.781	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccncc2Cl)C[C@H]1C	ZINC001106667417	876484769	/nfs/dbraw/zinc/48/47/69/876484769.db2.gz	YRVJZDFTVKMQAT-UKRRQHHQSA-N	1	0	364.877	1.264	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2cnsn2)[C@@H](n2ccnn2)C1	ZINC001128736267	883046309	/nfs/dbraw/zinc/04/63/09/883046309.db2.gz	FKHCSAOUODQHFA-CABCVRRESA-N	1	0	361.475	1.531	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@H]1C	ZINC001106691698	876590186	/nfs/dbraw/zinc/59/01/86/876590186.db2.gz	SWSZTRAGNOPVOQ-FRRDWIJNSA-N	1	0	359.392	1.151	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C[C@H]1C	ZINC001106699647	876608455	/nfs/dbraw/zinc/60/84/55/876608455.db2.gz	VZEMSPJWPUYEFK-KLBVCGFUSA-N	1	0	359.514	1.636	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)CC1	ZINC000917125751	883065442	/nfs/dbraw/zinc/06/54/42/883065442.db2.gz	BKAUUGWRWIGOJL-UHFFFAOYSA-N	1	0	362.817	1.170	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cnnn2-c2ccccc2)C[C@H]1C	ZINC001106710681	876897631	/nfs/dbraw/zinc/89/76/31/876897631.db2.gz	QPMUEEFZAKNLKJ-IAGOWNOFSA-N	1	0	369.469	1.768	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)[C@H](C)C1	ZINC001106711265	876901472	/nfs/dbraw/zinc/90/14/72/876901472.db2.gz	OUQNGLJVRQCGHL-BZUAXINKSA-N	1	0	356.532	1.708	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)Cc2ccccc2)C[C@H]1C	ZINC001106717955	876942236	/nfs/dbraw/zinc/94/22/36/876942236.db2.gz	ULADITVWQFTLHT-YZGWKJHDSA-N	1	0	369.509	1.689	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2nnc3ccccc3c2O)C[C@H]1C	ZINC001106718057	876943669	/nfs/dbraw/zinc/94/36/69/876943669.db2.gz	YLUCNXSEQLCVPZ-HUUCEWRRSA-N	1	0	370.453	1.836	20	30		FDEDRO
CC(C)[C@H]1C[N@H+](C)CCN1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O	ZINC000153667200	877139197	/nfs/dbraw/zinc/13/91/97/877139197.db2.gz	YVFGGEAKFLIISD-GOSISDBHSA-N	1	0	369.469	1.552	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]CCCOC(C)C)[C@H](C)C1	ZINC001106734103	877288244	/nfs/dbraw/zinc/28/82/44/877288244.db2.gz	PKPOXSPLPJRVHG-QRQLOZEOSA-N	1	0	367.534	1.957	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C)C2)C[C@H]1C	ZINC001106737937	877340636	/nfs/dbraw/zinc/34/06/36/877340636.db2.gz	UVMYMCULYCJFEN-BRWVUGGUSA-N	1	0	351.491	1.132	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001106741870	877401615	/nfs/dbraw/zinc/40/16/15/877401615.db2.gz	QERQFUSTUJDQIK-CZUORRHYSA-N	1	0	360.433	1.360	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]CC[C@H]3CCOC3)[C@H](C)C2)nn1	ZINC001106749870	877504953	/nfs/dbraw/zinc/50/49/53/877504953.db2.gz	JDJMOVXFAVZTBJ-IXDOHACOSA-N	1	0	361.490	1.579	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCN(C)S2(=O)=O)C[C@H]1C	ZINC001106751225	877532551	/nfs/dbraw/zinc/53/25/51/877532551.db2.gz	AFWPQRFSWMMZMV-BRWVUGGUSA-N	1	0	371.547	1.451	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc3c(c2)C=CCC3)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106753764	877562051	/nfs/dbraw/zinc/56/20/51/877562051.db2.gz	OAKQCKDDIMWLMY-DNVCBOLYSA-N	1	0	366.465	1.583	20	30		FDEDRO
C#CCN(C(=O)NC1CCN(c2nccs2)CC1)C1CC[NH+](C)CC1	ZINC000922339411	877759012	/nfs/dbraw/zinc/75/90/12/877759012.db2.gz	WMBLMYCGFVQNLO-UHFFFAOYSA-N	1	0	361.515	1.851	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3cccnc3c2)C[C@H]1C	ZINC001106777075	877771256	/nfs/dbraw/zinc/77/12/56/877771256.db2.gz	TZCSIQBCUMDTRD-CRAIPNDOSA-N	1	0	364.449	1.282	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)C[C@H]1C	ZINC001106815663	878255319	/nfs/dbraw/zinc/25/53/19/878255319.db2.gz	MIILBKNFMWQEAR-VHDGCEQUSA-N	1	0	367.881	1.365	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C2(N3CCOCC3)CCC2)C[C@H]1C	ZINC001106818774	878269578	/nfs/dbraw/zinc/26/95/78/878269578.db2.gz	ZZXBZRKNHNCSMS-GDBMZVCRSA-N	1	0	355.910	1.678	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)COCc2ncnn2C)C[C@H]1C	ZINC001106821389	878284051	/nfs/dbraw/zinc/28/40/51/878284051.db2.gz	VFFFLYAKZNWHTF-IAGOWNOFSA-N	1	0	365.522	1.986	20	30		FDEDRO
COc1cccc(N2C[C@H]([NH2+]C[C@@H](O)c3ccc(C#N)cc3)CC2=O)c1	ZINC000763242808	878301517	/nfs/dbraw/zinc/30/15/17/878301517.db2.gz	WRJJHGKESDBSOU-VQIMIIECSA-N	1	0	351.406	1.995	20	30		FDEDRO
COc1ccc(C[NH2+]Cc2cn(CC(F)(F)F)c(=O)[nH]c2=O)cc1C#N	ZINC000922495509	878337813	/nfs/dbraw/zinc/33/78/13/878337813.db2.gz	HSWNBRGBEVIWQV-UHFFFAOYSA-N	1	0	368.315	1.681	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3ccccc3C(N)=O)[C@H]2C1	ZINC001083160485	912337658	/nfs/dbraw/zinc/33/76/58/912337658.db2.gz	CSMNOFBBSGUDSM-ZWKOTPCHSA-N	1	0	357.454	1.206	20	30		FDEDRO
C#C[C@@H](NC(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)C(C)C	ZINC000922521057	878444581	/nfs/dbraw/zinc/44/45/81/878444581.db2.gz	RSWPFGGCVOXJRY-MRXNPFEDSA-N	1	0	366.506	1.933	20	30		FDEDRO
CSC1(CNC(=O)N2C[C@H](C)N(CC#N)[C@@H](C)C2)CC[NH+](C)CC1	ZINC000922529971	878459310	/nfs/dbraw/zinc/45/93/10/878459310.db2.gz	ADHDODFBVABUTL-GJZGRUSLSA-N	1	0	353.536	1.442	20	30		FDEDRO
COc1cc(CNC(=O)Cc2noc(C)c2C#N)ccc1OCC[NH+](C)C	ZINC000499948968	878732772	/nfs/dbraw/zinc/73/27/72/878732772.db2.gz	XAPNLZAZXCZEHF-UHFFFAOYSA-N	1	0	372.425	1.663	20	30		FDEDRO
C=CCC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CC2	ZINC001128053742	912396397	/nfs/dbraw/zinc/39/63/97/912396397.db2.gz	FTVOQAPVRISURY-JJXSEGSLSA-N	1	0	359.474	1.332	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(C#N)[nH]2)C1	ZINC001004355482	879186081	/nfs/dbraw/zinc/18/60/81/879186081.db2.gz	PQGOGCCJVMAVHR-WNOSKKOXSA-N	1	0	355.442	1.090	20	30		FDEDRO
CN(Cc1ccccc1)C(=O)CNC(=O)C[NH2+]Cc1cccc(C#N)c1	ZINC000922763554	879208852	/nfs/dbraw/zinc/20/88/52/879208852.db2.gz	IHWITQYXOGWNRE-UHFFFAOYSA-N	1	0	350.422	1.423	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC(=O)NC)CC1	ZINC001004437369	879502638	/nfs/dbraw/zinc/50/26/38/879502638.db2.gz	JOKDFISORURKFO-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
CN1CCN(C(=[NH2+])Nc2cc(Br)ccc2OCC#N)CC1	ZINC001168736593	879682170	/nfs/dbraw/zinc/68/21/70/879682170.db2.gz	OQGGLPRLZVAYEI-UHFFFAOYSA-N	1	0	352.236	1.946	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@@H]2O)cc1	ZINC001083842509	879894339	/nfs/dbraw/zinc/89/43/39/879894339.db2.gz	PTJRGLGPZRHBKY-OTWHNJEPSA-N	1	0	358.438	1.043	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC000993907850	880109907	/nfs/dbraw/zinc/10/99/07/880109907.db2.gz	IERUZAQEWXMVLV-HUUCEWRRSA-N	1	0	371.485	1.585	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCCN(CC(F)F)C3)[C@H]2C1	ZINC001083176991	912548583	/nfs/dbraw/zinc/54/85/83/912548583.db2.gz	BHRRLUTVJNWZGU-HRCADAONSA-N	1	0	357.445	1.451	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@H](OC)C1	ZINC001212424472	912563066	/nfs/dbraw/zinc/56/30/66/912563066.db2.gz	MMYILXZEJHWJCC-HZPDHXFCSA-N	1	0	350.463	1.180	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nocc2C)C[C@H]1C	ZINC001106840577	880419127	/nfs/dbraw/zinc/41/91/27/880419127.db2.gz	UTCXFMGPYGUJOC-UKRRQHHQSA-N	1	0	361.446	1.043	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C)C1	ZINC000994034434	880480182	/nfs/dbraw/zinc/48/01/82/880480182.db2.gz	UKUNXUPWKKSTLY-NSISKUIASA-N	1	0	367.493	1.373	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC000994133783	880732128	/nfs/dbraw/zinc/73/21/28/880732128.db2.gz	AXNPYDRZWRLRAT-IIDMSEBBSA-N	1	0	371.485	1.585	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)C3CC=CC3)C[C@H]2C)CC1	ZINC000994135663	880893028	/nfs/dbraw/zinc/89/30/28/880893028.db2.gz	JUORUSJIRGVGDF-VQIMIIECSA-N	1	0	357.498	1.509	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)C(C)(F)F)C[C@H]2C)CC1	ZINC000994135615	880893871	/nfs/dbraw/zinc/89/38/71/880893871.db2.gz	IYUXJUPTSHKNLR-UKRRQHHQSA-N	1	0	355.429	1.198	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cn(C3CCOCC3)nn2)C[C@H]1C	ZINC001106847602	881036316	/nfs/dbraw/zinc/03/63/16/881036316.db2.gz	XOYBUNPKNAHPOM-HZPDHXFCSA-N	1	0	361.490	1.894	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)COCc2nc(CC)no2)C[C@H]1C	ZINC001106859966	881152686	/nfs/dbraw/zinc/15/26/86/881152686.db2.gz	BTJIFVWJSRXMSN-HUUCEWRRSA-N	1	0	350.463	1.799	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C	ZINC000994239172	881229896	/nfs/dbraw/zinc/22/98/96/881229896.db2.gz	IUVHLDPLYHMPGF-CKEIUWERSA-N	1	0	357.458	1.195	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)NC(=O)CC(C)(C)C)C[C@H]1C	ZINC001106861864	881234028	/nfs/dbraw/zinc/23/40/28/881234028.db2.gz	KRLGPJPFYYYAOL-BRWVUGGUSA-N	1	0	365.518	1.261	20	30		FDEDRO
C[NH+](C)CCOc1ccc(C=NN=C2NS(=O)(=O)c3ccccc32)cc1	ZINC000915961754	881272692	/nfs/dbraw/zinc/27/26/92/881272692.db2.gz	HNSZSJSVQLQMPK-UHFFFAOYSA-N	1	0	372.450	1.700	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC001005392985	883195369	/nfs/dbraw/zinc/19/53/69/883195369.db2.gz	FFTIYQWTMLCYSL-DJIMGWMZSA-N	1	0	371.485	1.728	20	30		FDEDRO
C[C@@H]1CN(C(=O)CNc2ccc(C#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000497469077	883237765	/nfs/dbraw/zinc/23/77/65/883237765.db2.gz	YQDTUGXKWWCYEB-VQIMIIECSA-N	1	0	355.486	1.455	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC[NH+](CCc2ccnn2C)CC1	ZINC001005408538	883253987	/nfs/dbraw/zinc/25/39/87/883253987.db2.gz	BOJQDJFMJDSYIF-MOPGFXCFSA-N	1	0	360.502	1.867	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(C)nn2C)[C@@H](n2ccnn2)C1	ZINC001128759554	883258698	/nfs/dbraw/zinc/25/86/98/883258698.db2.gz	YPUXGCNZZIBIAJ-INMHGKMJSA-N	1	0	357.462	1.330	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC[NH+]([C@H]2CCN(CC)C2=O)CC1	ZINC001005409810	883260281	/nfs/dbraw/zinc/26/02/81/883260281.db2.gz	LVXGMJDBGDUPCA-SQNIBIBYSA-N	1	0	363.502	1.511	20	30		FDEDRO
CCN(C(=O)[C@H]1OCCO[C@H]1C)[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1	ZINC001033861859	883287114	/nfs/dbraw/zinc/28/71/14/883287114.db2.gz	QPTMSJNLXRMJGX-SNRMKQJTSA-N	1	0	357.454	1.785	20	30		FDEDRO
CCN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC001033875161	883309576	/nfs/dbraw/zinc/30/95/76/883309576.db2.gz	PGIPVCPBAFXUIS-NSISKUIASA-N	1	0	370.497	1.700	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2ccco2)C3)CC1	ZINC001005426229	883366957	/nfs/dbraw/zinc/36/69/57/883366957.db2.gz	OVMRKIWJVMATHV-QRQLOZEOSA-N	1	0	369.465	1.415	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1	ZINC000154398459	883414373	/nfs/dbraw/zinc/41/43/73/883414373.db2.gz	MPUXWSPRZFNJOB-KRWDZBQOSA-N	1	0	357.454	1.970	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1	ZINC000917441590	883420429	/nfs/dbraw/zinc/42/04/29/883420429.db2.gz	ISORUYOQARQHSU-INIZCTEOSA-N	1	0	364.490	1.783	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)CC2(C#N)CCCCC2)CC1	ZINC000917537029	883508701	/nfs/dbraw/zinc/50/87/01/883508701.db2.gz	VEYIYFGYJNVCDW-UHFFFAOYSA-N	1	0	357.520	1.615	20	30		FDEDRO
CCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC001033952401	883572212	/nfs/dbraw/zinc/57/22/12/883572212.db2.gz	UBDAUXNAWLXGIS-FGTMMUONSA-N	1	0	370.453	1.014	20	30		FDEDRO
C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC2(CCOCC2)C1	ZINC001089942763	912737669	/nfs/dbraw/zinc/73/76/69/912737669.db2.gz	BMFXMCMPNDIPHX-BRWVUGGUSA-N	1	0	356.470	1.524	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(F)nc2)[C@@H](n2ccnn2)C1	ZINC001128824825	883745481	/nfs/dbraw/zinc/74/54/81/883745481.db2.gz	IQXBOYALCXOVGP-IMJJTQAJSA-N	1	0	358.421	1.822	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2c(C)cccc2C)C[C@@H]1n1ccnn1	ZINC001128825456	883748432	/nfs/dbraw/zinc/74/84/32/883748432.db2.gz	ROZJHHJFTFSHMV-MOPGFXCFSA-N	1	0	369.469	1.639	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccnc(N(C)C)c2)C1	ZINC000999427123	912750913	/nfs/dbraw/zinc/75/09/13/912750913.db2.gz	GJAGPBKJUJTCLI-HIEASXQVSA-N	1	0	358.486	1.818	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)Cc2ccon2)[C@@H](n2ccnn2)C1	ZINC001128854896	883834621	/nfs/dbraw/zinc/83/46/21/883834621.db2.gz	FBLYAHUCBGMUJA-SJORKVTESA-N	1	0	360.462	1.821	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ncccc2C)[C@@H](n2ccnn2)C1	ZINC001128883623	883950556	/nfs/dbraw/zinc/95/05/56/883950556.db2.gz	MOJZINQGPSHEKL-ZACQAIPSSA-N	1	0	354.458	1.992	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCCCF)C[C@@H]2n2ccnn2)[nH]1	ZINC001128891707	883969050	/nfs/dbraw/zinc/96/90/50/883969050.db2.gz	NEBMGJMOUNNLMG-CVEARBPZSA-N	1	0	359.409	1.273	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(C)ncn2)[C@@H](n2ccnn2)C1	ZINC001128891998	883971390	/nfs/dbraw/zinc/97/13/90/883971390.db2.gz	XOQXVUKAXUBZSM-OIISXLGYSA-N	1	0	355.446	1.387	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN(C(=O)OC)CC1)C(C)C	ZINC000918069709	884026729	/nfs/dbraw/zinc/02/67/29/884026729.db2.gz	UQHURZYMIHGBKG-MRXNPFEDSA-N	1	0	352.479	1.779	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2CCCC[N@H+](Cc3cccc(C#N)c3)C2)O1	ZINC001034272549	884063906	/nfs/dbraw/zinc/06/39/06/884063906.db2.gz	MLIKOYLNPUESJW-LSTHTHJFSA-N	1	0	370.497	1.748	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCn2nc(C)nc2C)C1	ZINC001034404156	884318325	/nfs/dbraw/zinc/31/83/25/884318325.db2.gz	PBMLUARXZQBDHL-KURKYZTESA-N	1	0	361.490	1.457	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](CCc2scnc2C)C[C@@H]1O	ZINC001083999478	912825761	/nfs/dbraw/zinc/82/57/61/912825761.db2.gz	RQYQUOJDBPJOTK-MSOLQXFVSA-N	1	0	369.490	1.379	20	30		FDEDRO
Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C#CC3CC3)[C@@H](n3ccnn3)C2)c(C)c1	ZINC001128985437	884716879	/nfs/dbraw/zinc/71/68/79/884716879.db2.gz	NNSQXJBXSQHYHF-UXHICEINSA-N	1	0	363.465	1.850	20	30		FDEDRO
C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C[C@H]1CCC[C@H]1O	ZINC000246190262	884875615	/nfs/dbraw/zinc/87/56/15/884875615.db2.gz	DJRQXQXQQRLRQA-RHSMWYFYSA-N	1	0	353.426	1.775	20	30		FDEDRO
C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1	ZINC001034754309	884958758	/nfs/dbraw/zinc/95/87/58/884958758.db2.gz	ZIEOZOROXNZRQQ-LSTDLKDCSA-N	1	0	354.454	1.251	20	30		FDEDRO
C[C@H](CNc1ccc(C#N)nc1)NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1	ZINC001108153839	884982587	/nfs/dbraw/zinc/98/25/87/884982587.db2.gz	HZNGTHHULWHKJY-ZMYBRWDISA-N	1	0	371.485	1.617	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1n1ccnn1	ZINC001129014606	885124902	/nfs/dbraw/zinc/12/49/02/885124902.db2.gz	OJFCOZHZJJIRDK-KFWWJZLASA-N	1	0	367.881	1.435	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@@H]1O	ZINC001083967533	912908795	/nfs/dbraw/zinc/90/87/95/912908795.db2.gz	LTFKPCFNCGWSCO-MSOLQXFVSA-N	1	0	355.438	1.369	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CCCC2CCC2)C[C@@H]1O	ZINC001083967695	912909015	/nfs/dbraw/zinc/90/90/15/912909015.db2.gz	VASVHKFWQCFVBH-MSOLQXFVSA-N	1	0	357.454	1.449	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ncnn2CCF)C1	ZINC000999539935	912910610	/nfs/dbraw/zinc/91/06/10/912910610.db2.gz	RDCYACKZIMENGN-NDTCATRNSA-N	1	0	365.453	1.308	20	30		FDEDRO
CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C[C@@H]1C	ZINC000498548540	885239488	/nfs/dbraw/zinc/23/94/88/885239488.db2.gz	AMPUODJSOGRYDQ-UONOGXRCSA-N	1	0	352.442	1.881	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1n1ccnn1	ZINC001129020086	885249835	/nfs/dbraw/zinc/24/98/35/885249835.db2.gz	IFLDKLYXKVJRCD-BBWFWOEESA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1n1ccnn1	ZINC001129020132	885253282	/nfs/dbraw/zinc/25/32/82/885253282.db2.gz	LKMWBINQBMHVLC-SJORKVTESA-N	1	0	361.490	1.791	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCc4ccccc43)C[C@@H]2O)nc1	ZINC001083969537	912917186	/nfs/dbraw/zinc/91/71/86/912917186.db2.gz	HJMFPQSSOOJNTL-HKBOAZHASA-N	1	0	361.445	1.915	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccnn2CC(C)C)[C@@H](n2ccnn2)C1	ZINC001129032345	885365109	/nfs/dbraw/zinc/36/51/09/885365109.db2.gz	NPNUJUOXIJAHSX-AEFFLSMTSA-N	1	0	371.489	1.752	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC(F)(F)C2)[C@@H](n2ccnn2)C1	ZINC001129037879	885436244	/nfs/dbraw/zinc/43/62/44/885436244.db2.gz	DOBIOVWRYXXEFA-ZNMIVQPWSA-N	1	0	369.416	1.258	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)c2cccc(CC#N)c2)C1	ZINC000919310780	885562717	/nfs/dbraw/zinc/56/27/17/885562717.db2.gz	UDOZIOQFBFDRSO-SFHVURJKSA-N	1	0	373.453	1.382	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(C(N)=O)c1	ZINC001035076141	885573702	/nfs/dbraw/zinc/57/37/02/885573702.db2.gz	ZCMPOFLHUSINIR-QYZOEREBSA-N	1	0	371.481	1.847	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)COC2CCCCC2)[C@@H](n2ccnn2)C1	ZINC001129090100	885718973	/nfs/dbraw/zinc/71/89/73/885718973.db2.gz	VDVZBERUJHTHJA-MSOLQXFVSA-N	1	0	361.490	1.935	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@]23CCC[C@H]2OCC3)[C@@H](n2ccnn2)C1	ZINC001129098639	885731966	/nfs/dbraw/zinc/73/19/66/885731966.db2.gz	OLHGZKOCTPRULE-NTDBWNAOSA-N	1	0	359.474	1.545	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)NCC(C)C)[C@H](C)C2)nc1	ZINC001106894661	885767517	/nfs/dbraw/zinc/76/75/17/885767517.db2.gz	ROPLMSOEGZVEPT-JFIYKMOQSA-N	1	0	370.497	1.521	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCO[C@H]3CC3(F)F)[C@H](C)C2)cn1	ZINC001106894873	885811781	/nfs/dbraw/zinc/81/17/81/885811781.db2.gz	XRFGUKFXMVEQRO-UNEWFSDZSA-N	1	0	363.408	1.785	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)c2cnn(C)c2)[C@@H](n2ccnn2)C1	ZINC001129127964	885821780	/nfs/dbraw/zinc/82/17/80/885821780.db2.gz	PCFZIYAITFQJHT-JQHSSLGASA-N	1	0	371.489	1.513	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2ccnc2)[C@@H](n2ccnn2)C1	ZINC001129139598	885843345	/nfs/dbraw/zinc/84/33/45/885843345.db2.gz	NSGGJXVFBYOVCZ-BBWFWOEESA-N	1	0	357.462	1.261	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@H]2CN(Cc3cccc(C#N)c3)CCO2)CC[N@@H+]1C	ZINC001035373482	885941482	/nfs/dbraw/zinc/94/14/82/885941482.db2.gz	VCDOGYFELDESAA-AYOQOUSVSA-N	1	0	356.470	1.215	20	30		FDEDRO
C=C(C)CN1CCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1	ZINC001035516891	886110148	/nfs/dbraw/zinc/11/01/48/886110148.db2.gz	LTWUBEQMUIZECU-ZCNNSNEGSA-N	1	0	357.498	1.725	20	30		FDEDRO
CN1CCN(c2cc[nH+]cc2NC(=O)COc2cccc(C#N)c2)CC1	ZINC000919861498	886299336	/nfs/dbraw/zinc/29/93/36/886299336.db2.gz	XDZGBCADXVXXGH-UHFFFAOYSA-N	1	0	351.410	1.723	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CCc2c[nH]cn2)C[C@H]1C	ZINC000994642196	886329148	/nfs/dbraw/zinc/32/91/48/886329148.db2.gz	KMFFEOCKCPSHRO-SRABZTEZSA-N	1	0	360.458	1.144	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCCCC)[C@H](C)C2)nc1	ZINC001106898210	886387339	/nfs/dbraw/zinc/38/73/39/886387339.db2.gz	YFDATJYBGPMRQL-NVXWUHKLSA-N	1	0	356.470	1.277	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(C(=O)NCCCOCC)CC2)CC1	ZINC000919965953	886473638	/nfs/dbraw/zinc/47/36/38/886473638.db2.gz	OJFWOXCCKLDTMO-UHFFFAOYSA-N	1	0	363.502	1.113	20	30		FDEDRO
C=CCCC1(C(=O)N[C@@H]2C[N@@H+](CCOC(C)C)C[C@@H]2n2ccnn2)CC1	ZINC001129238724	886746623	/nfs/dbraw/zinc/74/66/23/886746623.db2.gz	HEYDAXCWRXIRDB-SJORKVTESA-N	1	0	361.490	1.791	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCCN2C(=O)CSCC#N)CC[N@@H+]1C	ZINC001062018336	886920273	/nfs/dbraw/zinc/92/02/73/886920273.db2.gz	BRZWJVZRWIWQQG-OWCLPIDISA-N	1	0	366.531	1.471	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cncc(C#N)n2)CC[N@@H+]1C	ZINC001062046936	886937095	/nfs/dbraw/zinc/93/70/95/886937095.db2.gz	WSJNVNRYNDLYHZ-VVLHAWIVSA-N	1	0	354.458	1.258	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC(CN(C)c3ccc(C#N)cn3)CC2)CC[N@@H+]1C	ZINC001062234398	886990891	/nfs/dbraw/zinc/99/08/91/886990891.db2.gz	AIZJUFUSMQLLTA-CRAIPNDOSA-N	1	0	355.486	1.968	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)Cc2ccc(CC)cn2)[C@@H](n2ccnn2)C1	ZINC001129272041	887105420	/nfs/dbraw/zinc/10/54/20/887105420.db2.gz	XUWBGHTZQZDEHL-MOPGFXCFSA-N	1	0	368.485	1.786	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1	ZINC001077555568	887159880	/nfs/dbraw/zinc/15/98/80/887159880.db2.gz	VGYRULUHAJEBNL-IXDOHACOSA-N	1	0	355.910	1.697	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCCOCCc2ccccc2)C[C@H]1NC(=O)C#CC1CC1	ZINC001212253914	887612496	/nfs/dbraw/zinc/61/24/96/887612496.db2.gz	LCEGTPVKWANSGT-NHCUHLMSSA-N	1	0	370.493	1.865	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ncc(C(=O)OC)s2)CC1	ZINC000922964973	887616662	/nfs/dbraw/zinc/61/66/62/887616662.db2.gz	MLGQNVATHUKVFJ-NSHDSACASA-N	1	0	350.444	1.388	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCCOc2ccccc2C)C[C@H]1NC(=O)C#CC1CC1	ZINC001212254437	887739312	/nfs/dbraw/zinc/73/93/12/887739312.db2.gz	WPOGJVBVQGSMAW-UYAOXDASSA-N	1	0	356.466	1.993	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(NC(C)=O)c2C)c1C#N	ZINC000527494862	887810344	/nfs/dbraw/zinc/81/03/44/887810344.db2.gz	NJJIESFJLQCGCR-UHFFFAOYSA-N	1	0	354.414	1.953	20	30		FDEDRO
C[C@H]1[C@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[N@@H+]1C	ZINC000923090748	888001475	/nfs/dbraw/zinc/00/14/75/888001475.db2.gz	DWPRIAPSMBNYDI-HNAYVOBHSA-N	1	0	355.486	1.914	20	30		FDEDRO
N#Cc1ccccc1C[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1c1ccncc1	ZINC001127554361	888049537	/nfs/dbraw/zinc/04/95/37/888049537.db2.gz	SRWRDUKSPGTCFA-MOPGFXCFSA-N	1	0	350.422	1.937	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(Cl)cn2)C[C@H]1C	ZINC001106901241	888099742	/nfs/dbraw/zinc/09/97/42/888099742.db2.gz	STBAAJPROWYELE-CHWSQXEVSA-N	1	0	350.850	1.335	20	30		FDEDRO
Cc1cc(NC(=O)N2CC[NH+](CC3CCOCC3)CC2)nn1CCC#N	ZINC000329344522	888307449	/nfs/dbraw/zinc/30/74/49/888307449.db2.gz	CLRFTMWANLJEMU-UHFFFAOYSA-N	1	0	360.462	1.681	20	30		FDEDRO
COCCN(CC[NH+](C)C)C(=O)Nc1cc(C)n(-c2cccc(C#N)c2)n1	ZINC000372381196	888338048	/nfs/dbraw/zinc/33/80/48/888338048.db2.gz	UAPQCVMBSUSQDQ-UHFFFAOYSA-N	1	0	370.457	2.094	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1	ZINC000923246562	888545506	/nfs/dbraw/zinc/54/55/06/888545506.db2.gz	VDKJRWHCHNBWFG-INIZCTEOSA-N	1	0	370.453	1.197	20	30		FDEDRO
COc1ccccc1[C@@H]1C[NH2+]CCN1C[C@@H](O)COc1ccccc1C#N	ZINC000923349687	888954305	/nfs/dbraw/zinc/95/43/05/888954305.db2.gz	VULGMFBIHGGJDQ-MJGOQNOKSA-N	1	0	367.449	1.953	20	30		FDEDRO
C#CCN(C(=O)NC[C@@H](n1cccn1)C(F)(F)F)C1CC[NH+](C)CC1	ZINC000923395527	889116473	/nfs/dbraw/zinc/11/64/73/889116473.db2.gz	NLWWJXLSINCIRG-CQSZACIVSA-N	1	0	357.380	1.726	20	30		FDEDRO
C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1	ZINC001089694392	889116359	/nfs/dbraw/zinc/11/63/59/889116359.db2.gz	UJXYUWFPLUKSHI-XHSDSOJGSA-N	1	0	351.491	1.415	20	30		FDEDRO
COc1ccc([C@H]2C[NH2+]CCN2C[C@H](O)COc2ccccc2C#N)cc1	ZINC000923422526	889199046	/nfs/dbraw/zinc/19/90/46/889199046.db2.gz	HMFQAMULFZJQBJ-AZUAARDMSA-N	1	0	367.449	1.953	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cn([C@H](C)COC)nc2C)[C@H](OC)C1	ZINC001212279009	889250728	/nfs/dbraw/zinc/25/07/28/889250728.db2.gz	BYDOTLFGZVMTRZ-ZTFGCOKTSA-N	1	0	364.490	1.794	20	30		FDEDRO
C[N@@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C[C@H]1CCOC1	ZINC000245890925	889310513	/nfs/dbraw/zinc/31/05/13/889310513.db2.gz	PUJJBIYOLILJAW-VQIMIIECSA-N	1	0	374.460	1.503	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)C1CC[NH+](C)CC1	ZINC000923454214	889316288	/nfs/dbraw/zinc/31/62/88/889316288.db2.gz	FXLYRSXUJYFXIB-AEFFLSMTSA-N	1	0	358.442	1.356	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)[C@H](C)C1	ZINC000245947612	889350911	/nfs/dbraw/zinc/35/09/11/889350911.db2.gz	BQUASDJXLOBPEX-CEXWTWQISA-N	1	0	363.550	1.341	20	30		FDEDRO
Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1	ZINC000330194697	889403026	/nfs/dbraw/zinc/40/30/26/889403026.db2.gz	BFPSKJBQAXFKQK-CQSZACIVSA-N	1	0	358.450	1.911	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CC[NH+]([C@H](C)C(=O)N(C)C)CC1	ZINC001006108552	889406898	/nfs/dbraw/zinc/40/68/98/889406898.db2.gz	NMLMMHGQWBXYGN-NJAFHUGGSA-N	1	0	365.518	1.757	20	30		FDEDRO
CCC[N@@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)C[C@@H]1CCCCO1	ZINC000246120009	889507974	/nfs/dbraw/zinc/50/79/74/889507974.db2.gz	QMYIMSSGSIXQRB-RBUKOAKNSA-N	1	0	364.534	1.960	20	30		FDEDRO
C=CCn1cccc1C(=O)NC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC000946909265	889512064	/nfs/dbraw/zinc/51/20/64/889512064.db2.gz	MMJNTDOSVQJAKX-NVXWUHKLSA-N	1	0	358.486	1.735	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccc(CC)cc1	ZINC001127605009	889523810	/nfs/dbraw/zinc/52/38/10/889523810.db2.gz	QFAOREQNNMYQHO-MSOLQXFVSA-N	1	0	359.470	1.875	20	30		FDEDRO
CC1CC[NH+](CC(=O)N[C@@H]2CN(Cc3ccc(C#N)s3)C[C@@H]2O)CC1	ZINC001083887792	889527545	/nfs/dbraw/zinc/52/75/45/889527545.db2.gz	LJWDMHQGZPIUKH-SJORKVTESA-N	1	0	362.499	1.013	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC[NH+]([C@H]2CCN(CC)C2=O)CC1	ZINC001006122542	889561403	/nfs/dbraw/zinc/56/14/03/889561403.db2.gz	HDSDXARNJOHXOD-BZSNNMDCSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC[NH+](CC(=O)N(C)C2CC2)CC1	ZINC001006123948	889578444	/nfs/dbraw/zinc/57/84/44/889578444.db2.gz	PKSOXCAYDUWXMK-HKUYNNGSSA-N	1	0	363.502	1.511	20	30		FDEDRO
C#Cc1cncc(C(=O)NC2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)c1	ZINC000946916457	889732983	/nfs/dbraw/zinc/73/29/83/889732983.db2.gz	ZQLIIJFHOWGQMT-RBUKOAKNSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCCC1=CCCCC1	ZINC001127609227	889739496	/nfs/dbraw/zinc/73/94/96/889739496.db2.gz	QRUGYDMLMPQIFL-MSOLQXFVSA-N	1	0	363.502	1.680	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)[C@@H](C)CC(C)C	ZINC001127609420	889743277	/nfs/dbraw/zinc/74/32/77/889743277.db2.gz	YWNAJIXYPYWQDB-BBWFWOEESA-N	1	0	353.507	1.566	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)C2CCN(Cc3csc(C)n3)CC2)C1	ZINC000923580117	889957817	/nfs/dbraw/zinc/95/78/17/889957817.db2.gz	YKSOIJHZSIHPOJ-KRWDZBQOSA-N	1	0	360.527	1.877	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)C1	ZINC000923582402	889973654	/nfs/dbraw/zinc/97/36/54/889973654.db2.gz	NOUNUKGMWBBDIP-DZGCQCFKSA-N	1	0	361.392	1.532	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cn3c(n2)CCCC3)[C@H](OC)C1	ZINC001212301049	889978459	/nfs/dbraw/zinc/97/84/59/889978459.db2.gz	AAEXWQFFHBXUPM-CGTJXYLNSA-N	1	0	360.502	1.932	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)CCCNC(=O)c2ccccc2OCC)C1	ZINC000923591341	890005043	/nfs/dbraw/zinc/00/50/43/890005043.db2.gz	WVMQNWNXYVXLHF-KRWDZBQOSA-N	1	0	371.481	1.809	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@H](OC)C1	ZINC001212311822	890038257	/nfs/dbraw/zinc/03/82/57/890038257.db2.gz	YLMRAEYJBUUHKP-RRFJBIMHSA-N	1	0	364.494	1.141	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N[C@@H]2C[N@H+](CC[C@@H](C)F)C[C@@H]2O)cc1	ZINC001084099261	913407006	/nfs/dbraw/zinc/40/70/06/913407006.db2.gz	MDVIHUHDHIRCOC-OLMNPRSZSA-N	1	0	350.434	1.703	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)NC(=O)CC(F)(F)F)[C@H](OC)C1	ZINC001212315993	890070572	/nfs/dbraw/zinc/07/05/72/890070572.db2.gz	DIHOTBZTOZVDAR-YNEHKIRRSA-N	1	0	365.396	1.225	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cc(-c3ccn(C)n3)on2)[C@H](OC)C1	ZINC001212321103	890109193	/nfs/dbraw/zinc/10/91/93/890109193.db2.gz	RLKFITBQNGZWSB-NVXWUHKLSA-N	1	0	359.430	1.470	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1CN([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1OC	ZINC001212321281	890115682	/nfs/dbraw/zinc/11/56/82/890115682.db2.gz	ZUYSEOREBQGBFG-CGTJXYLNSA-N	1	0	365.518	1.826	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccnc(C3CC3)n2)[C@@H](n2ccnn2)C1	ZINC001129294006	890143157	/nfs/dbraw/zinc/14/31/57/890143157.db2.gz	OSIZVRUZIXVLFT-SJORKVTESA-N	1	0	367.457	1.567	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(c3ncc(C#N)cc3Cl)C2)CC[N@@H+]1C	ZINC001063057470	890159804	/nfs/dbraw/zinc/15/98/04/890159804.db2.gz	ZOFTXICUUZJQKN-VHDGCEQUSA-N	1	0	361.877	1.984	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1OC	ZINC001212337263	890320792	/nfs/dbraw/zinc/32/07/92/890320792.db2.gz	FTJGCYKBRVNUIU-RRFJBIMHSA-N	1	0	371.909	1.497	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(NC(=O)CCCC[NH+](C)C)CCC1	ZINC001063214827	890340672	/nfs/dbraw/zinc/34/06/72/890340672.db2.gz	STUIFCKPDQXLIW-SJORKVTESA-N	1	0	365.518	1.855	20	30		FDEDRO
Cc1cc(C#N)nc(N2CCCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001063240837	890375544	/nfs/dbraw/zinc/37/55/44/890375544.db2.gz	GVVRGOAUBUOENV-HLLBOEOZSA-N	1	0	356.474	1.472	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCCN(c3ccc(C#N)nn3)C2)CC[N@@H+]1C	ZINC001063241169	890377762	/nfs/dbraw/zinc/37/77/62/890377762.db2.gz	OBVBVRRGCNHZHC-YESZJQIVSA-N	1	0	356.474	1.554	20	30		FDEDRO
N#CCOc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc1	ZINC001031859124	891459487	/nfs/dbraw/zinc/45/94/87/891459487.db2.gz	NOCDUKWHTYPWNJ-RMMWZPCPSA-N	1	0	367.449	1.560	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C#N)[nH]1)C2	ZINC001002088890	891912196	/nfs/dbraw/zinc/91/21/96/891912196.db2.gz	FOWUEDGZBINIGZ-NRSFXHEJSA-N	1	0	369.469	1.622	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(C#N)[nH]2)C3)CC[N@@H+]1C	ZINC001002096606	891917456	/nfs/dbraw/zinc/91/74/56/891917456.db2.gz	YAWDNZUBZABYQQ-AXRYGOTBSA-N	1	0	369.469	1.478	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ncn(-c3ccccc3)n2)[C@H](OC)C1	ZINC001212444359	891934099	/nfs/dbraw/zinc/93/40/99/891934099.db2.gz	SYNLGFMSNDCYIP-IAGOWNOFSA-N	1	0	355.442	1.663	20	30		FDEDRO
C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(C#N)c1)C2)C1CCC1	ZINC001002129456	891961927	/nfs/dbraw/zinc/96/19/27/891961927.db2.gz	BHRGLWQIHGELIT-ZACQAIPSSA-N	1	0	355.442	1.232	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1cscn1)C2	ZINC001112541277	891964371	/nfs/dbraw/zinc/96/43/71/891964371.db2.gz	PCXJGQQKYUKYHB-KSSFIOAISA-N	1	0	362.499	1.206	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1	ZINC001002194954	892203967	/nfs/dbraw/zinc/20/39/67/892203967.db2.gz	JLGODDPFRSJRFR-ULQDDVLXSA-N	1	0	351.491	1.128	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c(F)cccc2F)C[C@H]1C	ZINC001106917267	892239202	/nfs/dbraw/zinc/23/92/02/892239202.db2.gz	AUIFVLDGOIOING-CHWSQXEVSA-N	1	0	351.397	1.565	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)nc1	ZINC000940311768	892260563	/nfs/dbraw/zinc/26/05/63/892260563.db2.gz	YAKMKCXDGZYVMT-CRAIPNDOSA-N	1	0	368.481	1.372	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC001002247557	892327971	/nfs/dbraw/zinc/32/79/71/892327971.db2.gz	MDXHOXVZAUYRNS-DNVCBOLYSA-N	1	0	371.481	1.780	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2cnn3cc[nH]c23)C[C@H]1C	ZINC001106920413	892500485	/nfs/dbraw/zinc/50/04/85/892500485.db2.gz	YNOBZDWFYWGWMX-ZYHUDNBSSA-N	1	0	366.263	1.869	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)c(F)c1	ZINC000921907653	892700722	/nfs/dbraw/zinc/70/07/22/892700722.db2.gz	HOVAENMQHLFNJL-INIZCTEOSA-N	1	0	367.446	1.370	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C[C@H]1C	ZINC001106925618	892731104	/nfs/dbraw/zinc/73/11/04/892731104.db2.gz	OISZTXONOASQKI-BFYDXBDKSA-N	1	0	357.520	1.109	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1	ZINC000940691535	892885331	/nfs/dbraw/zinc/88/53/31/892885331.db2.gz	UZKRQKOZUFSDKC-OWSLCNJRSA-N	1	0	363.502	1.559	20	30		FDEDRO
CS(=O)(=O)N1CC[C@H](C[NH2+]Cc2cc(C#N)ccc2Br)C1	ZINC000921928255	893030304	/nfs/dbraw/zinc/03/03/04/893030304.db2.gz	SRMDRSZXWWIADV-GFCCVEGCSA-N	1	0	372.288	1.692	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)N(C)C)[C@H](C)C2)CCOCC1	ZINC001106933076	893034525	/nfs/dbraw/zinc/03/45/25/893034525.db2.gz	BRZRRRUTZZEPBA-BRWVUGGUSA-N	1	0	365.518	1.520	20	30		FDEDRO
Cc1cc(C)c(CC(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)s1	ZINC001106933253	893038254	/nfs/dbraw/zinc/03/82/54/893038254.db2.gz	JPHZGZKTAZXKJT-UKRRQHHQSA-N	1	0	362.499	1.231	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCn2cncn2)CC1(C)C	ZINC000940752408	893122418	/nfs/dbraw/zinc/12/24/18/893122418.db2.gz	BGKBEJCKKVUPQR-IKGGRYGDSA-N	1	0	361.490	1.476	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C3CC3)cn2)C[C@H]1C	ZINC001106934974	893131755	/nfs/dbraw/zinc/13/17/55/893131755.db2.gz	CARQAZXKASNYOJ-RHSMWYFYSA-N	1	0	356.470	1.559	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1	ZINC001002648318	893452562	/nfs/dbraw/zinc/45/25/62/893452562.db2.gz	LKVNCFPHCNBASY-KSZLIROESA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2nc3nc(C)cc(C)n3n2)C[C@H]1C	ZINC001106943917	893502358	/nfs/dbraw/zinc/50/23/58/893502358.db2.gz	JSADCIZIQLLVIP-QMTHXVAHSA-N	1	0	362.865	1.791	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2CCN(CC(=O)NC3CCCCCCC3)C[C@H]21	ZINC001084231728	913778283	/nfs/dbraw/zinc/77/82/83/913778283.db2.gz	JQMPTENVVGYVLS-LZLYRXPVSA-N	1	0	360.502	1.908	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2CCN(CC(=O)NC3CCCCCCC3)C[C@H]21	ZINC001084231727	913779043	/nfs/dbraw/zinc/77/90/43/913779043.db2.gz	JQMPTENVVGYVLS-JFIYKMOQSA-N	1	0	360.502	1.908	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C(C)(C)C1	ZINC000941091480	893844895	/nfs/dbraw/zinc/84/48/95/893844895.db2.gz	UYCZXYUDBZTULH-KZNAEPCWSA-N	1	0	358.486	1.528	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1	ZINC000672634959	894332106	/nfs/dbraw/zinc/33/21/06/894332106.db2.gz	JGUBUOUHUQENGH-UHFFFAOYSA-N	1	0	353.532	1.889	20	30		FDEDRO
CCn1cc(CC[N@@H+]2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)cn1	ZINC001084261549	913867538	/nfs/dbraw/zinc/86/75/38/913867538.db2.gz	OEVRAZUASYUBPN-SJLPKXTDSA-N	1	0	352.442	1.492	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2cccc(F)c2)C[C@H]1C	ZINC001106952884	894366024	/nfs/dbraw/zinc/36/60/24/894366024.db2.gz	FFOSJKBPYOPNCD-BFYDXBDKSA-N	1	0	359.445	1.190	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(C)csc1C(=O)OC	ZINC000922022949	894401119	/nfs/dbraw/zinc/40/11/19/894401119.db2.gz	RFEYYAYQVSQXRV-UHFFFAOYSA-N	1	0	370.496	1.561	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(C(=O)OC)c1C	ZINC000922022785	894404472	/nfs/dbraw/zinc/40/44/72/894404472.db2.gz	ANPWPMITQKFPFX-UHFFFAOYSA-N	1	0	364.467	1.500	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)CCc1c(F)cccc1F	ZINC000922023303	894425343	/nfs/dbraw/zinc/42/53/43/894425343.db2.gz	BZXUQBPHRMMWSQ-UHFFFAOYSA-N	1	0	356.438	1.867	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000922025369	894535411	/nfs/dbraw/zinc/53/54/11/894535411.db2.gz	GZIBUGWMDLCVGJ-UHFFFAOYSA-N	1	0	351.428	1.621	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)C1CCC(C(=O)OC)CC1	ZINC000922026216	894540250	/nfs/dbraw/zinc/54/02/50/894540250.db2.gz	RIJXAFWIZAFMAH-UHFFFAOYSA-N	1	0	356.488	1.077	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](CCO[C@@H]2CC2(F)F)CC1	ZINC001002846700	894583691	/nfs/dbraw/zinc/58/36/91/894583691.db2.gz	IZXGSEBWBPMXOI-OWCLPIDISA-N	1	0	358.429	1.972	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)C2(C(F)(F)F)CCC2)[C@H](OC)C1	ZINC001212471795	894708919	/nfs/dbraw/zinc/70/89/19/894708919.db2.gz	CXCCBRZNBVYTJT-CHWSQXEVSA-N	1	0	350.381	1.737	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1	ZINC000941332048	894740070	/nfs/dbraw/zinc/74/00/70/894740070.db2.gz	JCWVOHDKIMBZCK-SQNIBIBYSA-N	1	0	363.502	1.513	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(C)c(C)c2)C[C@H]1C	ZINC001106956833	894939640	/nfs/dbraw/zinc/93/96/40/894939640.db2.gz	ATUDYTUYOAFHSF-IEBWSBKVSA-N	1	0	357.498	1.832	20	30		FDEDRO
C=C(C)CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)CC2)C1	ZINC000941580085	895333745	/nfs/dbraw/zinc/33/37/45/895333745.db2.gz	OSKHDZKVEOGUIL-RBUKOAKNSA-N	1	0	357.502	1.318	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](C[C@@H](O)c2ccc(CC)cc2)C1	ZINC001031986885	896151064	/nfs/dbraw/zinc/15/10/64/896151064.db2.gz	IPPQATUJBXAWIS-AQNXPRMDSA-N	1	0	358.482	1.922	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CC[C@]2(CCOC2)C1)C(C)C	ZINC000671082035	896162438	/nfs/dbraw/zinc/16/24/38/896162438.db2.gz	MPCQZCBGKIONMR-PXNSSMCTSA-N	1	0	363.502	1.440	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3ccncc3)nn2)C1	ZINC000999985430	896513912	/nfs/dbraw/zinc/51/39/12/896513912.db2.gz	CCXXKQXPBBAORO-CEXWTWQISA-N	1	0	364.453	1.363	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCc1cn([C@@H]2CC[N@@H+](CCCF)C2)nn1	ZINC000999987049	896518701	/nfs/dbraw/zinc/51/87/01/896518701.db2.gz	NEPVQHBABXAVRI-ZACQAIPSSA-N	1	0	365.453	1.482	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2nc3cc(C)ccc3n2C)CC1	ZINC000183892024	896746843	/nfs/dbraw/zinc/74/68/43/896746843.db2.gz	HZZCUIVFFRIKSF-UHFFFAOYSA-N	1	0	372.473	1.907	20	30		FDEDRO
CC#CC[N@@H+]1C[C@H](NC(=O)[C@]23CCC[C@H]2OCC3)CC2(CCOCC2)C1	ZINC001089946976	896792406	/nfs/dbraw/zinc/79/24/06/896792406.db2.gz	SMSWIVWOKYBEBU-OPYAIIAOSA-N	1	0	360.498	1.956	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1	ZINC000942450900	897061809	/nfs/dbraw/zinc/06/18/09/897061809.db2.gz	DONGZEALWXTWLY-OLMNPRSZSA-N	1	0	368.437	1.565	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2-n2cnnn2)C[C@H]1C	ZINC001106970543	897186027	/nfs/dbraw/zinc/18/60/27/897186027.db2.gz	GVIPIRWLQCFTAT-HZPDHXFCSA-N	1	0	354.458	1.926	20	30		FDEDRO
C#CCC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@@H]3CCO[C@H]3CC)C2)n1	ZINC001128113641	897216189	/nfs/dbraw/zinc/21/61/89/897216189.db2.gz	ZPVNXLRNVLQUHO-OTWHNJEPSA-N	1	0	370.497	1.705	20	30		FDEDRO
C=CC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)n1	ZINC001128113630	897216817	/nfs/dbraw/zinc/21/68/17/897216817.db2.gz	ZDIPDDCZGVQCOF-ZNWBIBPKSA-N	1	0	370.497	1.867	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOC)CC2(CCOCC2)C1	ZINC001089956725	897234982	/nfs/dbraw/zinc/23/49/82/897234982.db2.gz	CGLAHEGFMLGTHU-BBWFWOEESA-N	1	0	352.475	1.211	20	30		FDEDRO
C#CCCCNC(=O)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1	ZINC000184133695	897281304	/nfs/dbraw/zinc/28/13/04/897281304.db2.gz	MOIDIEOVJLWZQR-UHFFFAOYSA-N	1	0	358.442	1.353	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COc2cccc(F)c2)C[C@H]1C	ZINC001106975623	897283571	/nfs/dbraw/zinc/28/35/71/897283571.db2.gz	XXIUARXGAOGWJW-HUUCEWRRSA-N	1	0	363.433	1.191	20	30		FDEDRO
C[C@@H]1CN(C(=O)CNC(=O)C(C)(C)C)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106976992	897313185	/nfs/dbraw/zinc/31/31/85/897313185.db2.gz	ZOCPGMUOHBDBFV-IEBWSBKVSA-N	1	0	369.509	1.885	20	30		FDEDRO
C=C(Cl)CN1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1	ZINC001084351281	914148467	/nfs/dbraw/zinc/14/84/67/914148467.db2.gz	FEQUFQGYGYDLBS-GDBMZVCRSA-N	1	0	351.882	1.344	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)CC2(CCOCC2)C1	ZINC001089959884	897327173	/nfs/dbraw/zinc/32/71/73/897327173.db2.gz	TVCIKVKUMFLKLI-RCCFBDPRSA-N	1	0	370.497	1.534	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2csc3nccn23)C[C@H]1C	ZINC001106987146	897650904	/nfs/dbraw/zinc/65/09/04/897650904.db2.gz	UHJHVMGUKLQTIR-HUUCEWRRSA-N	1	0	362.499	1.825	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(Cc3cccc(N(C)C)c3)C[C@H]2O)nc1	ZINC001078029960	897663383	/nfs/dbraw/zinc/66/33/83/897663383.db2.gz	ALLXDUFFMCMIFR-WOJBJXKFSA-N	1	0	364.449	1.104	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC3CCC4(CC4)CC3)C[C@H]2O)nc1	ZINC001078031256	897669621	/nfs/dbraw/zinc/66/96/21/897669621.db2.gz	KERUDZAWJFVFAX-RTBURBONSA-N	1	0	353.466	1.808	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC3CCC4(CC4)CC3)C[C@H]2O)cn1	ZINC001078032575	897677589	/nfs/dbraw/zinc/67/75/89/897677589.db2.gz	VQMVPLCQMAUJAT-RTBURBONSA-N	1	0	353.466	1.808	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(CC)C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000942751907	897736757	/nfs/dbraw/zinc/73/67/57/897736757.db2.gz	IUURYCIWJUPGLU-OKZBNKHCSA-N	1	0	371.485	1.680	20	30		FDEDRO
C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@]3(CNC(=O)c4ccc(C#N)[nH]4)CCC[C@@H]23)C1	ZINC000995282970	897851129	/nfs/dbraw/zinc/85/11/29/897851129.db2.gz	PXYUXFKGUQOZIF-WIBUTAKZSA-N	1	0	369.469	1.339	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CCN(C(=O)[C@]34C[C@H]3CCC4)C2)CC1	ZINC000942824591	897874777	/nfs/dbraw/zinc/87/47/77/897874777.db2.gz	JIMKWPWACJQNLG-XQBPLPMBSA-N	1	0	371.525	1.971	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CN(Cc2sc(C)nc2C)C[C@H]1O	ZINC001078082719	897909986	/nfs/dbraw/zinc/90/99/86/897909986.db2.gz	SWUNVEGJWLZUFD-QZTJIDSGSA-N	1	0	369.490	1.645	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccnc(-n3cccc3)c2)[C@H](OC)C1	ZINC001212437022	897934306	/nfs/dbraw/zinc/93/43/06/897934306.db2.gz	WDEVMPRTLPWSCN-QZTJIDSGSA-N	1	0	370.453	1.504	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1	ZINC000942982123	898232659	/nfs/dbraw/zinc/23/26/59/898232659.db2.gz	FJLSJCPUEWNGBD-KSZLIROESA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cc(C)ncn2)C1	ZINC001078473846	898807746	/nfs/dbraw/zinc/80/77/46/898807746.db2.gz	MGGMIDSKJVRQOP-KSZLIROESA-N	1	0	360.458	1.083	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CCCO2)cc1	ZINC001078475625	898816507	/nfs/dbraw/zinc/81/65/07/898816507.db2.gz	SKSXPXHZTJEBEW-WTGUMLROSA-N	1	0	369.465	1.833	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CC2CCOCC2)C1	ZINC001078484838	898836636	/nfs/dbraw/zinc/83/66/36/898836636.db2.gz	UACOGWORXHACEO-QYZOEREBSA-N	1	0	366.502	1.601	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H](CC)[NH+](C)C	ZINC001078503484	898863574	/nfs/dbraw/zinc/86/35/74/898863574.db2.gz	LKAGFXVDLOLJQV-QAETUUGQSA-N	1	0	353.507	1.709	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](OC)C1	ZINC000943466085	898904468	/nfs/dbraw/zinc/90/44/68/898904468.db2.gz	OZFCGKDICPPRCZ-GPMSIDNRSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CC1([NH+](C)C)CCCC1	ZINC001078538100	898908647	/nfs/dbraw/zinc/90/86/47/898908647.db2.gz	MIVRLTMSPYGFCO-BBWFWOEESA-N	1	0	365.518	1.853	20	30		FDEDRO
C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)NC(=O)C#CC1CC1	ZINC001078669704	898975239	/nfs/dbraw/zinc/97/52/39/898975239.db2.gz	SHIHWFREHXZJRB-DBVUQKKJSA-N	1	0	367.493	1.756	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCN(C)C2=O)[C@H](OC)C1	ZINC001212442196	899055956	/nfs/dbraw/zinc/05/59/56/899055956.db2.gz	GBYDONCAPZUDPK-BRWVUGGUSA-N	1	0	353.507	1.641	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)[C@H](OC)C2)CC1	ZINC000943601797	899077122	/nfs/dbraw/zinc/07/71/22/899077122.db2.gz	QNGYVDCBPXDYEG-KBAYOESNSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCN(C)C2=O)[C@H](OC)C1	ZINC001212442602	899114735	/nfs/dbraw/zinc/11/47/35/899114735.db2.gz	RCEQIJOGAUSVPA-GVDBMIGSSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cnc(C(F)(F)F)nc2)[C@H](OC)C1	ZINC001212442626	899115981	/nfs/dbraw/zinc/11/59/81/899115981.db2.gz	SMSRHWOUBRMQLT-CHWSQXEVSA-N	1	0	358.364	1.891	20	30		FDEDRO
C=CC[C@@H](Cc1ccccc1)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC)[C@H](C)C1	ZINC001107014133	899543771	/nfs/dbraw/zinc/54/37/71/899543771.db2.gz	NIQMGGWURAQIMM-NZSAHSFTSA-N	1	0	357.498	1.852	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C)C(=O)NC1CC1	ZINC001107016791	899552288	/nfs/dbraw/zinc/55/22/88/899552288.db2.gz	FSTOUQMKOUDHEW-ZHALLVOQSA-N	1	0	367.493	1.779	20	30		FDEDRO
C=C[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)c1ccccc1	ZINC001107019200	899562871	/nfs/dbraw/zinc/56/28/71/899562871.db2.gz	XABCRIZVQUNDNJ-KBAYOESNSA-N	1	0	354.454	1.280	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CNC(=O)c2ccccn2)C[C@H]1C	ZINC001107026530	899630430	/nfs/dbraw/zinc/63/04/30/899630430.db2.gz	RAFWKAWQMWFYGJ-BRWVUGGUSA-N	1	0	358.486	1.850	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(C)s2)C[C@H]1C	ZINC001107030678	899647222	/nfs/dbraw/zinc/64/72/22/899647222.db2.gz	RSJZJKDAHBJTNZ-FVQBIDKESA-N	1	0	361.511	1.421	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC(C)(C)c2ccccc2)C[C@H]1C	ZINC001107035616	899991709	/nfs/dbraw/zinc/99/17/09/899991709.db2.gz	PLRKXSDAGUHJSM-QZTJIDSGSA-N	1	0	369.509	1.788	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2n[nH]nc2-c2ccccc2)C[C@H]1C	ZINC001107045176	900093848	/nfs/dbraw/zinc/09/38/48/900093848.db2.gz	ZHHXIYRZEPQSQF-NVXWUHKLSA-N	1	0	367.453	1.419	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001107046364	900099013	/nfs/dbraw/zinc/09/90/13/900099013.db2.gz	VIPQIBRFELSJSG-SJLPKXTDSA-N	1	0	366.465	1.073	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)COc2cc(F)cc(F)c2)C[C@H]1C	ZINC001107050137	900175244	/nfs/dbraw/zinc/17/52/44/900175244.db2.gz	KGBJYWKLCKUNCS-HUUCEWRRSA-N	1	0	366.408	1.678	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3cnn(C)n3)[C@H](C)C2)CCCCC1	ZINC001107058949	900303133	/nfs/dbraw/zinc/30/31/33/900303133.db2.gz	JMIQLBSLSAKSTP-IAGOWNOFSA-N	1	0	357.502	1.973	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3cn(C)nn3)[C@H](C)C2)CCCCC1	ZINC001107059134	900311731	/nfs/dbraw/zinc/31/17/31/900311731.db2.gz	UKQIZUJEPWGVHO-IAGOWNOFSA-N	1	0	357.502	1.973	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cc(C)no2)[C@H](C)C1	ZINC001107059202	900312967	/nfs/dbraw/zinc/31/29/67/900312967.db2.gz	XPHQAHYFRCSXCM-UKRRQHHQSA-N	1	0	364.446	1.198	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)n2CCC)[C@H](C)C1	ZINC001107062375	900369101	/nfs/dbraw/zinc/36/91/01/900369101.db2.gz	IQWBOLPCMXWHMA-HLLBOEOZSA-N	1	0	363.506	1.772	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CCC2)[C@H](C)C1	ZINC001107063001	900392531	/nfs/dbraw/zinc/39/25/31/900392531.db2.gz	YSSCWFRSSPZSHD-BFYDXBDKSA-N	1	0	351.491	1.178	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](OCC)c2ccccc2)C[C@H]1C	ZINC001107066963	900464748	/nfs/dbraw/zinc/46/47/48/900464748.db2.gz	RQHKFAZHCJLGPB-POAQFYNOSA-N	1	0	371.481	1.198	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(OC(C)C)cn2)C[C@H]1C	ZINC001107097576	900916434	/nfs/dbraw/zinc/91/64/34/900916434.db2.gz	SRBWDJOPMLTZGI-IAGOWNOFSA-N	1	0	359.470	1.816	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC3(CN(C(=O)[C@@H]4C[C@H]4CC)C3)CC2)CC1	ZINC000944957677	901106568	/nfs/dbraw/zinc/10/65/68/901106568.db2.gz	RQLAEEHKECJSFP-IEBWSBKVSA-N	1	0	371.525	1.829	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC2(CNC(=O)C[C@@H]3C[C@H]3C3CC3)CCC2)CC1	ZINC001063944339	901183407	/nfs/dbraw/zinc/18/34/07/901183407.db2.gz	MKOGNWUPSGPSHG-OALUTQOASA-N	1	0	371.525	1.923	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CCC1	ZINC001064583623	901430636	/nfs/dbraw/zinc/43/06/36/901430636.db2.gz	HJZUZSZYWQGEEG-IKGGRYGDSA-N	1	0	361.486	1.074	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H]3CCN(C(=O)CCCC[NH+](C)C)[C@@H]3C2)n1	ZINC001090326661	901708119	/nfs/dbraw/zinc/70/81/19/901708119.db2.gz	VSERBHBDMVDIIO-DOTOQJQBSA-N	1	0	370.501	1.680	20	30		FDEDRO
Cc1ccc(/C=C/CC(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)cc1	ZINC001107114088	901785323	/nfs/dbraw/zinc/78/53/23/901785323.db2.gz	DNFFTDBWWRPICY-JFZXIXNHSA-N	1	0	368.481	1.722	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H](NC(=O)c3coc(C4CCC4)n3)[C@@H](O)C2)cc1	ZINC001083928363	901804113	/nfs/dbraw/zinc/80/41/13/901804113.db2.gz	QRRKBRRHJDNFNP-AEFFLSMTSA-N	1	0	366.421	1.789	20	30		FDEDRO
C[NH+]=C(NCC(=O)N1CCCc2ccccc21)N[C@@H]1CCN(C2CC2)C1	ZINC000083141195	901878652	/nfs/dbraw/zinc/87/86/52/901878652.db2.gz	GMWUAWLYLUFZAQ-MRXNPFEDSA-N	1	0	355.486	1.368	20	30		FDEDRO
COCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2c[nH]c(C#N)c2)C1	ZINC001079131532	901944320	/nfs/dbraw/zinc/94/43/20/901944320.db2.gz	YQBKGEWPOVPSPS-RTBURBONSA-N	1	0	368.437	1.220	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCCCO2)C1	ZINC001079132577	901946792	/nfs/dbraw/zinc/94/67/92/901946792.db2.gz	UYGAFIXVOUKKBM-VAMGGRTRSA-N	1	0	356.466	1.653	20	30		FDEDRO
C#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2c(C)nn(C)c2F)C1	ZINC001079146818	901968840	/nfs/dbraw/zinc/96/88/40/901968840.db2.gz	IZWYMLYWWNLWNK-IAGOWNOFSA-N	1	0	370.428	1.188	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnnn2C)C1	ZINC001079134731	901996891	/nfs/dbraw/zinc/99/68/91/901996891.db2.gz	OLKZHVOCVYCEKD-RTBURBONSA-N	1	0	369.469	1.469	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ncn(C)n2)C1	ZINC001079134696	901997569	/nfs/dbraw/zinc/99/75/69/901997569.db2.gz	MMGSYYFUNCJVKP-IAGOWNOFSA-N	1	0	355.442	1.079	20	30		FDEDRO
C#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccc(COC)o2)C1	ZINC001079138177	902017315	/nfs/dbraw/zinc/01/73/15/902017315.db2.gz	RVHXKRWNGITIQY-RTBURBONSA-N	1	0	368.433	1.747	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnc[nH]c2=O)C1	ZINC001079138286	902020411	/nfs/dbraw/zinc/02/04/11/902020411.db2.gz	XNHHUZCBEOLOCG-QZTJIDSGSA-N	1	0	368.437	1.446	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCC[NH+]1CCN(C(=O)C(C)C)CC1	ZINC001079166229	902035957	/nfs/dbraw/zinc/03/59/57/902035957.db2.gz	YRBBACJXJOCGDS-MSOLQXFVSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)C[C@H]1c1cccc(F)c1	ZINC001079176752	902061120	/nfs/dbraw/zinc/06/11/20/902061120.db2.gz	PHCCCYOPBVVHLY-OTWHNJEPSA-N	1	0	361.461	1.616	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1c1cccc(F)c1)C(N)=O	ZINC001079177813	902062548	/nfs/dbraw/zinc/06/25/48/902062548.db2.gz	KGFZJECMOKSTNQ-XNJJOIOASA-N	1	0	369.400	1.097	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N[C@@H](CC(=O)OC)c1ccc(OC)c(OC)c1	ZINC000764013917	902067397	/nfs/dbraw/zinc/06/73/97/902067397.db2.gz	FDXXQEPGHFTNRR-AWEZNQCLSA-N	1	0	350.415	1.542	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)S(C)(=O)=O)CC[C@H]1c1ccc(F)cc1	ZINC001079154742	902069495	/nfs/dbraw/zinc/06/94/95/902069495.db2.gz	TXSWDSKLVUKIFM-RRQGHBQHSA-N	1	0	368.474	1.719	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cn2ccnc2C)CC[C@H]1c1ccc(F)cc1	ZINC001079162704	902090224	/nfs/dbraw/zinc/09/02/24/902090224.db2.gz	XLZABEKSZQBOAB-RBUKOAKNSA-N	1	0	354.429	1.938	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1c1cccc(F)c1	ZINC001079204839	902107747	/nfs/dbraw/zinc/10/77/47/902107747.db2.gz	OVGZRXJJGNYPKV-DLBZAZTESA-N	1	0	358.421	1.363	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1c1cccc(F)c1	ZINC001079206888	902112832	/nfs/dbraw/zinc/11/28/32/902112832.db2.gz	CEYFGMKPVMDYPV-HRCADAONSA-N	1	0	365.836	1.741	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCN2CCCC2=O)C[C@H]1c1cccc(F)c1	ZINC001079209382	902117181	/nfs/dbraw/zinc/11/71/81/902117181.db2.gz	CTLBETACXLFTIT-ZWKOTPCHSA-N	1	0	359.445	1.908	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cncc3nc[nH]c32)C[C@H]1c1cccc(F)c1	ZINC001079183820	902127223	/nfs/dbraw/zinc/12/72/23/902127223.db2.gz	WCZQQWGCGXLEOP-FUHWJXTLSA-N	1	0	363.396	1.928	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3cncn3C2)C[C@H]1c1cccc(F)c1	ZINC001079188980	902139784	/nfs/dbraw/zinc/13/97/84/902139784.db2.gz	BIBCAYFOUPRIPV-LSTHTHJFSA-N	1	0	366.440	1.802	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1c1cccc(F)c1	ZINC001079193489	902152872	/nfs/dbraw/zinc/15/28/72/902152872.db2.gz	GGHCJIBRWYTLHH-HRCADAONSA-N	1	0	365.836	1.598	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3ccncc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079238286	902182510	/nfs/dbraw/zinc/18/25/10/902182510.db2.gz	QRUNBKWDFKBYKN-RBUKOAKNSA-N	1	0	353.466	1.966	20	30		FDEDRO
C=CCN1CC[C@@H]([NH+]2CCC3(CN(C(=O)CC)[C@@H]4COC[C@@H]43)CC2)C1=O	ZINC001079213467	902200398	/nfs/dbraw/zinc/20/03/98/902200398.db2.gz	VPCWYHVLERTVFE-GVDBMIGSSA-N	1	0	361.486	1.123	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC2(CC[NH+](Cc3ccccn3)CC2)[C@H]2COC[C@H]21	ZINC001079228466	902243532	/nfs/dbraw/zinc/24/35/32/902243532.db2.gz	NNGWKNQJFOXXEY-BPQIPLTHSA-N	1	0	354.454	1.681	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC2(CC[NH+](CCOC3CCC3)CC2)[C@H]2COC[C@H]21	ZINC001079228511	902243713	/nfs/dbraw/zinc/24/37/13/902243713.db2.gz	PAGQSHKBLHNEJX-RYQLBKOJSA-N	1	0	361.486	1.655	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc4c([nH]3)CCOC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079244982	902252608	/nfs/dbraw/zinc/25/26/08/902252608.db2.gz	QFPGGWWDKGESRB-QFBILLFUSA-N	1	0	369.465	1.274	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ncc(C)cc3OC)[C@@H]3COC[C@@H]32)CC1	ZINC001079246270	902258279	/nfs/dbraw/zinc/25/82/79/902258279.db2.gz	ZEHBUJRPXDAMSP-DLBZAZTESA-N	1	0	369.465	1.585	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3ncc(OC)cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079251162	902270396	/nfs/dbraw/zinc/27/03/96/902270396.db2.gz	JNSCXZFQGGGSFT-DLBZAZTESA-N	1	0	370.453	1.062	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3ncc(OC)cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079251082	902270710	/nfs/dbraw/zinc/27/07/10/902270710.db2.gz	FAICCHKXYBBBGW-DLBZAZTESA-N	1	0	370.453	1.062	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)C[C@H]3CCCC(=O)N3)[C@@H]3COC[C@@H]32)CC1	ZINC001079251334	902272555	/nfs/dbraw/zinc/27/25/55/902272555.db2.gz	RFICJADLBMUQSU-IXDOHACOSA-N	1	0	361.486	1.171	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3c(C)nc[nH]c3=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079257094	902287825	/nfs/dbraw/zinc/28/78/25/902287825.db2.gz	SYUVEWPPQDFMPU-LSDHHAIUSA-N	1	0	358.442	1.230	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H](C)c3cncnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079258180	902291167	/nfs/dbraw/zinc/29/11/67/902291167.db2.gz	QUYKXSBHXUZIAA-RYQLBKOJSA-N	1	0	354.454	1.153	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cncc(Cl)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079267471	902317137	/nfs/dbraw/zinc/31/71/37/902317137.db2.gz	WPIIXJWIVMPNLU-DLBZAZTESA-N	1	0	359.857	1.921	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3csc(Cl)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269205	902323880	/nfs/dbraw/zinc/32/38/80/902323880.db2.gz	MMGATRJXOFBULG-GXTWGEPZSA-N	1	0	365.886	1.983	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cnc(OC)nc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269396	902326018	/nfs/dbraw/zinc/32/60/18/902326018.db2.gz	WGFXPYHLFAYHFX-JKSUJKDBSA-N	1	0	358.442	1.224	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC(=O)N3)[C@@H]3COC[C@@H]32)CC1	ZINC001079271537	902333645	/nfs/dbraw/zinc/33/36/45/902333645.db2.gz	UDBQFIJKYFQZIC-YESZJQIVSA-N	1	0	361.486	1.171	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ccc4n[nH]nc4c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079272767	902337584	/nfs/dbraw/zinc/33/75/84/902337584.db2.gz	XCONCYIACNEXDQ-MAUKXSAKSA-N	1	0	365.437	1.144	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)COc3ccccc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079272748	902337875	/nfs/dbraw/zinc/33/78/75/902337875.db2.gz	WIYCPFQTWCDDBJ-RBUKOAKNSA-N	1	0	368.477	1.946	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1c1ccccc1F	ZINC001079302267	902350888	/nfs/dbraw/zinc/35/08/88/902350888.db2.gz	UYFVZAFKWWMNFQ-DZGCQCFKSA-N	1	0	355.369	1.349	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccnn2C)C[C@H]1c1ccccc1F	ZINC001079304078	902353691	/nfs/dbraw/zinc/35/36/91/902353691.db2.gz	QHJYTOBWRNYHET-VXIBKDFQSA-N	1	0	366.440	1.880	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C2CN(C(C)=O)C2)C[C@H]1c1ccccc1F	ZINC001079293461	902394932	/nfs/dbraw/zinc/39/49/32/902394932.db2.gz	AJZBOGKKZGQAHR-PKOBYXMFSA-N	1	0	359.445	1.764	20	30		FDEDRO
CC[C@H]([NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1ccccc1F)C(N)=O	ZINC001079294915	902396546	/nfs/dbraw/zinc/39/65/46/902396546.db2.gz	DOXDGXQZRCWPCL-RYQLBKOJSA-N	1	0	357.429	1.387	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1c1ccccc1F	ZINC001079315785	902410323	/nfs/dbraw/zinc/41/03/23/902410323.db2.gz	DZPTWRPDTYVQGL-PKOBYXMFSA-N	1	0	359.445	1.065	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3nc[nH]c3C2)C[C@H]1c1ccccc1F	ZINC001079317436	902416223	/nfs/dbraw/zinc/41/62/23/902416223.db2.gz	HOIFXRPGOLIBDW-DKICVRJWSA-N	1	0	366.440	1.871	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)nc2)C[C@H]1c1ccccc1F	ZINC001079324209	902429118	/nfs/dbraw/zinc/42/91/18/902429118.db2.gz	GQQNCMTYDIIUIN-MAUKXSAKSA-N	1	0	366.396	1.151	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1c1ccccc1F	ZINC001079304140	902435255	/nfs/dbraw/zinc/43/52/55/902435255.db2.gz	UFARLDBBLWUBGK-OUEOUJKYSA-N	1	0	372.440	1.394	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1	ZINC001079309520	902443248	/nfs/dbraw/zinc/44/32/48/902443248.db2.gz	BTLPFJFZYQWSHB-CGTJXYLNSA-N	1	0	371.456	1.955	20	30		FDEDRO
COc1ccc(CN2C[C@@H](C)[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)cc1C#N	ZINC001079494678	902712258	/nfs/dbraw/zinc/71/22/58/902712258.db2.gz	LFLOYWQZMXUILL-ZTFGCOKTSA-N	1	0	356.470	1.598	20	30		FDEDRO
CNC(=O)c1cccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)c1	ZINC001079539982	902774301	/nfs/dbraw/zinc/77/43/01/902774301.db2.gz	OJBIPSIQRZZKFU-FZKQIMNGSA-N	1	0	365.437	1.496	20	30		FDEDRO
C[C@]1(C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)CCNC(=O)C1	ZINC001084449091	914674509	/nfs/dbraw/zinc/67/45/09/914674509.db2.gz	QYLOKWDODIQHKP-OPYAIIAOSA-N	1	0	366.465	1.507	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@H]2CC[N@H+](CCn3cncn3)C[C@H]21	ZINC001084460344	914732012	/nfs/dbraw/zinc/73/20/12/914732012.db2.gz	UGDDMFUSDKTEBK-SJLPKXTDSA-N	1	0	367.453	1.689	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)c1cn[nH]c(=O)c1	ZINC001079909158	903656852	/nfs/dbraw/zinc/65/68/52/903656852.db2.gz	GAMAKGJWDLOQOI-CXAGYDPISA-N	1	0	367.409	1.335	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C(C)(C)C1	ZINC000996309583	903669512	/nfs/dbraw/zinc/66/95/12/903669512.db2.gz	IVVJHACJLPUYES-FGTMMUONSA-N	1	0	368.481	1.609	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(=O)N2CCCCC2)C(C)(C)C1	ZINC000996329709	903707561	/nfs/dbraw/zinc/70/75/61/903707561.db2.gz	IHFQWMIAHKDMCM-IXDOHACOSA-N	1	0	363.502	1.417	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000996429746	903914023	/nfs/dbraw/zinc/91/40/23/903914023.db2.gz	VUOUVYCOGBASIZ-HZPDHXFCSA-N	1	0	358.398	1.313	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@H]3OCC[C@H]3C(C)C)CC2)C1=O	ZINC000996580840	904241581	/nfs/dbraw/zinc/24/15/81/904241581.db2.gz	TVBFHFOTEZOCPF-KSZLIROESA-N	1	0	363.502	1.415	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C)n3C)CCC[C@@H]12	ZINC001107277458	904270605	/nfs/dbraw/zinc/27/06/05/904270605.db2.gz	WAOLGUQCOIBNLB-YLJYHZDGSA-N	1	0	356.470	1.057	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]C[C@H]2CCNC(=O)CC2)CC1	ZINC000996602011	904321414	/nfs/dbraw/zinc/32/14/14/904321414.db2.gz	VLXWZYLEGRGZDP-NXHRZFHOSA-N	1	0	363.502	1.465	20	30		FDEDRO
CC(C)CO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107310940	904413862	/nfs/dbraw/zinc/41/38/62/904413862.db2.gz	SHXHLGZYPBSLSB-FRQCXROJSA-N	1	0	364.490	1.048	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCC1)CC2	ZINC001107318699	904445153	/nfs/dbraw/zinc/44/51/53/904445153.db2.gz	WSOSVUKDUTXMHQ-MBOZVWFJSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@@H]1CCc3ncnn31)CC2	ZINC001107328952	904491269	/nfs/dbraw/zinc/49/12/69/904491269.db2.gz	CMWSHDVGSPJSFV-FRQCXROJSA-N	1	0	359.474	1.329	20	30		FDEDRO
N#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCNC(=O)C2CC2)CC3)[nH]1	ZINC001107363608	904562539	/nfs/dbraw/zinc/56/25/39/904562539.db2.gz	IXKRLGHRPOWARN-YLJYHZDGSA-N	1	0	369.469	1.387	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)SC)CCC[C@@H]12	ZINC001107363828	904564404	/nfs/dbraw/zinc/56/44/04/904564404.db2.gz	REHOWMSUCZEJGA-IIDMSEBBSA-N	1	0	353.532	1.791	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCc2cc(C#N)ccc2F)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000764418596	904599207	/nfs/dbraw/zinc/59/92/07/904599207.db2.gz	KOJUFLQQEWEKDZ-DNVCBOLYSA-N	1	0	373.476	1.865	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)CCCC(=O)NC)CCC[C@@H]12	ZINC001107376885	904612612	/nfs/dbraw/zinc/61/26/12/904612612.db2.gz	WMWZHKPPGDCRAL-VQIMIIECSA-N	1	0	351.491	1.466	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@]3(CNC(=O)Cc4ccoc4)CCC[C@@H]23)C1=O	ZINC001107380207	904646421	/nfs/dbraw/zinc/64/64/21/904646421.db2.gz	OITPDQZCUGXCRB-DBXWQHBBSA-N	1	0	371.481	1.970	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccsc3C)CCC[C@@H]12	ZINC001107395955	904707985	/nfs/dbraw/zinc/70/79/85/904707985.db2.gz	VNBQQXFFGOBHHL-VQIMIIECSA-N	1	0	359.495	1.780	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C#CC3CC3)CCC[C@@H]12	ZINC001107398317	904720432	/nfs/dbraw/zinc/72/04/32/904720432.db2.gz	OALSECNHIAOQHH-WIYYLYMNSA-N	1	0	370.497	1.523	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCC(F)F)CC2	ZINC001107402846	904741191	/nfs/dbraw/zinc/74/11/91/904741191.db2.gz	SJJZNDKQUYBIKX-HDMKZQKVSA-N	1	0	358.429	1.667	20	30		FDEDRO
C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N[C@H](C)CC)CC2	ZINC001107404884	904749765	/nfs/dbraw/zinc/74/97/65/904749765.db2.gz	TYRCPIUIWQGTBW-MBOZVWFJSA-N	1	0	363.502	1.302	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(CC)CC)CC2	ZINC001107401735	904783017	/nfs/dbraw/zinc/78/30/17/904783017.db2.gz	AROHYILECWFIHA-SQGPQFPESA-N	1	0	363.502	1.254	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccnc(OC)c1)CC2	ZINC001107401677	904783069	/nfs/dbraw/zinc/78/30/69/904783069.db2.gz	ZJFQCOYNVDOXBQ-YRISNDGFSA-N	1	0	371.481	1.989	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)Cn4ncnn4)CCC[C@@H]23)s1	ZINC001107412332	904812410	/nfs/dbraw/zinc/81/24/10/904812410.db2.gz	VEKQVVYEPJECAI-NVXWUHKLSA-N	1	0	371.470	1.167	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)[C@H](OC)C1	ZINC001081683104	904932057	/nfs/dbraw/zinc/93/20/57/904932057.db2.gz	ZNWOJYJDGKPQOX-MKXGPGLRSA-N	1	0	359.470	1.941	20	30		FDEDRO
N#Cc1cccc(CNC(=O)CONC(=[NH2+])COc2ccc(F)cc2)c1	ZINC000764573114	905047950	/nfs/dbraw/zinc/04/79/50/905047950.db2.gz	VVOPMVUGCGFTLZ-UHFFFAOYSA-N	1	0	356.357	1.891	20	30		FDEDRO
N#Cc1ccc(CNC(=O)CONC(=[NH2+])[C@H]2COc3ccccc3O2)cc1	ZINC000764573742	905052953	/nfs/dbraw/zinc/05/29/53/905052953.db2.gz	FSFHLCTXVJOUHH-QGZVFWFLSA-N	1	0	366.377	1.513	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4nnnn4c3)CCC[C@@H]12	ZINC001107469953	905086596	/nfs/dbraw/zinc/08/65/96/905086596.db2.gz	VGJAFBAJINMCRN-VQIMIIECSA-N	1	0	370.457	1.301	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)CCC[C@@H]12	ZINC001107479343	905153090	/nfs/dbraw/zinc/15/30/90/905153090.db2.gz	BFWNCHOCBPKDKD-AXVVYFOYSA-N	1	0	361.486	1.184	20	30		FDEDRO
CC(C)N1C(=O)CC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C	ZINC001080319837	905206569	/nfs/dbraw/zinc/20/65/69/905206569.db2.gz	ZYKLSFJTLPSDCG-LZQZEXGQSA-N	1	0	368.481	1.894	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)C3CCC3)CCC[C@@H]12	ZINC001107491086	905219691	/nfs/dbraw/zinc/21/96/91/905219691.db2.gz	FWULXQNHVZTTTA-DYESRHJHSA-N	1	0	359.514	1.923	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)CN3CCCC3=O)C[C@H]2C)CC1	ZINC001080391578	905309428	/nfs/dbraw/zinc/30/94/28/905309428.db2.gz	QWFMWVYMCANGNU-BPQIPLTHSA-N	1	0	363.502	1.153	20	30		FDEDRO
CC(C)c1[nH]ccc1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107514526	905309282	/nfs/dbraw/zinc/30/92/82/905309282.db2.gz	KGEWIBBOZNABLG-OXQOHEQNSA-N	1	0	371.485	1.752	20	30		FDEDRO
C=CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H](O)Cn1cccn1)CC2	ZINC001107524098	905363968	/nfs/dbraw/zinc/36/39/68/905363968.db2.gz	HHWNDODCDVIYQD-NLWGTHIKSA-N	1	0	360.502	1.961	20	30		FDEDRO
C=CCCC1(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)CC1	ZINC001107536402	905417647	/nfs/dbraw/zinc/41/76/47/905417647.db2.gz	MAFXHBSEKPJDIV-OXQOHEQNSA-N	1	0	358.486	1.733	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1C	ZINC001080472269	905495709	/nfs/dbraw/zinc/49/57/09/905495709.db2.gz	LUVGEENMZSPQKP-FOZNTRSISA-N	1	0	356.426	1.750	20	30		FDEDRO
C=CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3C[C@H]3c3cncn3C)CC2)CC1	ZINC000996788929	905527949	/nfs/dbraw/zinc/52/79/49/905527949.db2.gz	HZGSMSUYJWTJNA-CSODTCANSA-N	1	0	371.529	1.755	20	30		FDEDRO
C=CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)CC2)CC1	ZINC000996789935	905529476	/nfs/dbraw/zinc/52/94/76/905529476.db2.gz	SWRONACZMYMYCY-GHBBCFCZSA-N	1	0	371.529	1.755	20	30		FDEDRO
C=Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)cc1	ZINC001107555689	905575227	/nfs/dbraw/zinc/57/52/27/905575227.db2.gz	NHOKTNPVKDTJGT-WIYYLYMNSA-N	1	0	366.465	1.944	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN(C(C)(C)C)C2=O)[C@H](OC)C1	ZINC001082050355	905620280	/nfs/dbraw/zinc/62/02/80/905620280.db2.gz	UNZRQNIRQCKZPK-BZUAXINKSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)C1=O	ZINC000996818622	905700682	/nfs/dbraw/zinc/70/06/82/905700682.db2.gz	NVYDVCYMHRJBSW-LEUOFYLZSA-N	1	0	361.486	1.169	20	30		FDEDRO
C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)Nc1ccncc1C#N	ZINC001098288522	905704802	/nfs/dbraw/zinc/70/48/02/905704802.db2.gz	PAIYXRIOCRPZJQ-LZQZEXGQSA-N	1	0	363.465	1.637	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cccn4ccnc34)CCC[C@@H]12	ZINC001107574109	905722265	/nfs/dbraw/zinc/72/22/65/905722265.db2.gz	NVQGIGAUUJUQLI-WIYYLYMNSA-N	1	0	366.465	1.959	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN(CC(F)F)C2)[C@H](OC)C1	ZINC001082070540	905722894	/nfs/dbraw/zinc/72/28/94/905722894.db2.gz	JDWAKKZLNKGTTD-ARFHVFGLSA-N	1	0	359.461	1.745	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4nncn4c3)CCC[C@@H]12	ZINC001107574212	905723372	/nfs/dbraw/zinc/72/33/72/905723372.db2.gz	TWDJBPCFVCAMFL-YLJYHZDGSA-N	1	0	369.469	1.906	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccnc(C)c3)CCC[C@@H]12	ZINC001107582437	905752130	/nfs/dbraw/zinc/75/21/30/905752130.db2.gz	DVJCNAKOQFYPLN-YLJYHZDGSA-N	1	0	354.454	1.114	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH]c(C)cc3=O)CCC[C@@H]12	ZINC001107596587	905855943	/nfs/dbraw/zinc/85/59/43/905855943.db2.gz	JKXMTUCDNAEBLO-UYAOXDASSA-N	1	0	357.454	1.308	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH]c(C)cc3=O)CCC[C@@H]12	ZINC001107596816	905857877	/nfs/dbraw/zinc/85/78/77/905857877.db2.gz	NZSVNBUXRLPYDG-UYAOXDASSA-N	1	0	359.470	1.860	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1	ZINC001082137816	905952756	/nfs/dbraw/zinc/95/27/56/905952756.db2.gz	BNJQBLUJKHMTQN-RTBURBONSA-N	1	0	370.497	1.606	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3cccn(C)c3=O)CCC[C@@H]12	ZINC001107612734	905980538	/nfs/dbraw/zinc/98/05/38/905980538.db2.gz	DYDCCGZRIBBOPS-YLJYHZDGSA-N	1	0	359.470	1.562	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)CCCN3C(=O)CNC3=O)CCC[C@@H]12	ZINC001107628194	906097844	/nfs/dbraw/zinc/09/78/44/906097844.db2.gz	PPTGDRPKDGTSSA-DNVCBOLYSA-N	1	0	362.474	1.255	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCCn3cccn3)CCC[C@@H]12	ZINC001107637170	906141188	/nfs/dbraw/zinc/14/11/88/906141188.db2.gz	XUNKATASIAVSTF-UYAOXDASSA-N	1	0	358.486	1.674	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1CCCCN1C(N)=O	ZINC001080756118	906147361	/nfs/dbraw/zinc/14/73/61/906147361.db2.gz	JAYACRVRWNXBCA-ZTFGCOKTSA-N	1	0	369.469	1.428	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3CCC=CCC3)CCC[C@@H]12	ZINC001107633106	906150740	/nfs/dbraw/zinc/15/07/40/906150740.db2.gz	KCZHZHROLHFKCQ-WIYYLYMNSA-N	1	0	357.498	1.843	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCC(F)(F)C3)C[C@H]2O)c1	ZINC001077648631	906212713	/nfs/dbraw/zinc/21/27/13/906212713.db2.gz	POSPIABOTGJVQP-USXIJHARSA-N	1	0	363.408	1.663	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)COc3cccc(C(N)=O)c3)CCC[C@@H]12	ZINC001107643301	906217699	/nfs/dbraw/zinc/21/76/99/906217699.db2.gz	GOIZCPGLZLCHPG-YLJYHZDGSA-N	1	0	357.454	1.711	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CC3CCC4(CC4)CC3)C[C@H]2O)c1	ZINC001077649965	906226802	/nfs/dbraw/zinc/22/68/02/906226802.db2.gz	MUKVUNRPZVBNMY-RTBURBONSA-N	1	0	353.466	1.808	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCc4ccccc43)C[C@H]2O)c1	ZINC001077649979	906228231	/nfs/dbraw/zinc/22/82/31/906228231.db2.gz	NOYVPLUNKYQISS-NJDAHSKKSA-N	1	0	361.445	1.915	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)CS(C)(=O)=O)CCC[C@@H]12	ZINC001107651325	906230950	/nfs/dbraw/zinc/23/09/50/906230950.db2.gz	YBTTVXMEGPTXAH-CRAIPNDOSA-N	1	0	354.516	1.441	20	30		FDEDRO
COc1ccc(C#N)cc1CN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1	ZINC001080781170	906252584	/nfs/dbraw/zinc/25/25/84/906252584.db2.gz	QJGILKZXGDOGHC-HHXXYDBFSA-N	1	0	370.497	1.845	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)CCCCC(=O)NC)CCC[C@@H]12	ZINC001107649001	906280528	/nfs/dbraw/zinc/28/05/28/906280528.db2.gz	FLZUSTPXXLSLMG-YLJYHZDGSA-N	1	0	365.518	1.856	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1C	ZINC001080805431	906287116	/nfs/dbraw/zinc/28/71/16/906287116.db2.gz	RRVWLMMUJZXFNA-NVXWUHKLSA-N	1	0	353.426	1.040	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C)cc3C)C[C@H]2OC)nn1	ZINC001082212897	906297023	/nfs/dbraw/zinc/29/70/23/906297023.db2.gz	GVZLWMODTVGYKT-IEBWSBKVSA-N	1	0	369.469	1.710	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CC(=O)NC3=O)CCC[C@@H]12	ZINC001107657832	906306191	/nfs/dbraw/zinc/30/61/91/906306191.db2.gz	RHKVREKATKRUCS-OGHNNQOOSA-N	1	0	353.850	1.153	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cc3ccc(OC)cc3)C2)C1=O	ZINC001080837718	906354661	/nfs/dbraw/zinc/35/46/61/906354661.db2.gz	OOJJMGCDFJJQJH-LZQZEXGQSA-N	1	0	371.481	1.461	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001080877996	906568778	/nfs/dbraw/zinc/56/87/78/906568778.db2.gz	VYHOOVMGAVPLNE-BRWVUGGUSA-N	1	0	365.518	1.399	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C	ZINC001082302893	906686464	/nfs/dbraw/zinc/68/64/64/906686464.db2.gz	IPZSDYHTECRHDU-HZMVEIRTSA-N	1	0	351.491	1.415	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1ccc(C(N)=O)cc1	ZINC001080927837	906700082	/nfs/dbraw/zinc/70/00/82/906700082.db2.gz	OBWVTIMRIBVOJF-AUUYWEPGSA-N	1	0	362.433	1.907	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCN(c2cccc(CNC(=O)[C@@H]3CCO[C@H]3C=C)n2)C1	ZINC001127845139	906704705	/nfs/dbraw/zinc/70/47/05/906704705.db2.gz	CPETYFLKIQGQGF-QRVBRYPASA-N	1	0	368.481	1.481	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COC1CCOCC1)C2	ZINC001112539159	906765902	/nfs/dbraw/zinc/76/59/02/906765902.db2.gz	NIDCDDSRJIAXEW-PXNSSMCTSA-N	1	0	366.502	1.603	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCC[C@@H]3CCOC3)C[C@H]2OC)nc1	ZINC001082333393	906826740	/nfs/dbraw/zinc/82/67/40/906826740.db2.gz	FPVJOHAETMTBCM-BHIYHBOVSA-N	1	0	357.454	1.309	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)C3CCCCC3)C[C@H]2OC)cn1	ZINC001082333741	906828060	/nfs/dbraw/zinc/82/80/60/906828060.db2.gz	XGPWHIBRQNOAHO-VAMGGRTRSA-N	1	0	371.481	1.433	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H](OC)C3CCC3)C[C@H]2OC)nc1	ZINC001082333720	906828555	/nfs/dbraw/zinc/82/85/55/906828555.db2.gz	WJSFRHCWYCNRDN-CEXWTWQISA-N	1	0	357.454	1.307	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCS(=O)(=O)C1)C2	ZINC001112539253	906861752	/nfs/dbraw/zinc/86/17/52/906861752.db2.gz	RIMWTKYWNBSHNN-LNLFQRSKSA-N	1	0	368.543	1.996	20	30		FDEDRO
C=C(Br)CN1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1	ZINC001082325793	906901015	/nfs/dbraw/zinc/90/10/15/906901015.db2.gz	AMAHVAPXMNMQKF-BFHYXJOUSA-N	1	0	360.296	1.052	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001082326467	906906367	/nfs/dbraw/zinc/90/63/67/906906367.db2.gz	FCDQEMTWOYWZEG-GUDVDZBRSA-N	1	0	356.470	1.215	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnc(OC)nc2C)CC1	ZINC000997012504	906929384	/nfs/dbraw/zinc/92/93/84/906929384.db2.gz	UYGZQIXRIAIQKK-SJORKVTESA-N	1	0	360.458	1.465	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCc2ccccc2C)C[C@H]1O	ZINC001077698931	906969345	/nfs/dbraw/zinc/96/93/45/906969345.db2.gz	HOGKQTSKSRBKES-WTGUMLROSA-N	1	0	358.482	1.680	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cn3c(n2)CCCC3)C[C@H]1c1ccccc1	ZINC001081119985	907175308	/nfs/dbraw/zinc/17/53/08/907175308.db2.gz	ZJHWNSYHKKBGEC-VQTJNVASSA-N	1	0	362.477	1.979	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C[C@H]1c1ccccc1	ZINC001081124579	907184963	/nfs/dbraw/zinc/18/49/63/907184963.db2.gz	MIJRVCUPZNCQKP-CEXWTWQISA-N	1	0	367.493	1.851	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc3[nH]c(=O)[nH]c3c2)C[C@H]1c1ccccc1	ZINC001081137658	907242880	/nfs/dbraw/zinc/24/28/80/907242880.db2.gz	JFZAJYNUIQFLTC-DOTOQJQBSA-N	1	0	361.405	1.495	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cc(CC)nn2C)C[C@H]1c1ccccc1	ZINC001081151024	907262396	/nfs/dbraw/zinc/26/23/96/907262396.db2.gz	QVRGAKHOHOLJGC-VQTJNVASSA-N	1	0	350.466	1.742	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2[C@H]2CCOC2)C[C@H]1c1ccccc1	ZINC001081151735	907265478	/nfs/dbraw/zinc/26/54/78/907265478.db2.gz	RIWOCXGZUGOOBM-YTQUADARSA-N	1	0	364.449	1.745	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](OC)c2cnn(C)c2)C[C@H]1c1ccccc1	ZINC001081151612	907266314	/nfs/dbraw/zinc/26/63/14/907266314.db2.gz	NUMKZWNYYSGRTK-IPMKNSEASA-N	1	0	354.454	1.878	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+][C@H](C)C(N)=O)C2)cn1	ZINC001081215349	907324234	/nfs/dbraw/zinc/32/42/34/907324234.db2.gz	IXDGIHFTBBSBJF-MDASCCDHSA-N	1	0	362.433	1.135	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C2CCN(C(N)=O)CC2)C[C@H]1c1ccccc1	ZINC001081224320	907336128	/nfs/dbraw/zinc/33/61/28/907336128.db2.gz	JIVZKVYDGLRMFR-RBUKOAKNSA-N	1	0	370.497	1.937	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cc2OC)C[C@H]1c1ccccc1	ZINC001081182213	907355143	/nfs/dbraw/zinc/35/51/43/907355143.db2.gz	JWCXZDMDXVQFFD-DLBZAZTESA-N	1	0	351.406	1.627	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1C	ZINC001082423865	907653985	/nfs/dbraw/zinc/65/39/85/907653985.db2.gz	ROLWETQXVFWGHX-RHSMWYFYSA-N	1	0	353.426	1.400	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)nn2)C1	ZINC001082450740	907730398	/nfs/dbraw/zinc/73/03/98/907730398.db2.gz	GHKWBOLQMCPNBI-DMDPSCGWSA-N	1	0	371.363	1.514	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cnns3)C[C@H]2C)cc1C#N	ZINC001082436524	907752491	/nfs/dbraw/zinc/75/24/91/907752491.db2.gz	VULWSRBAJQOBCJ-BXUZGUMPSA-N	1	0	357.439	1.669	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1[NH2+]Cc1ccc2nonc2c1	ZINC001082483968	907908974	/nfs/dbraw/zinc/90/89/74/907908974.db2.gz	WYNPVZPWGKROQT-PIGZYNQJSA-N	1	0	350.382	1.673	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cnn(C4CCC4)c3)C[C@H]2C)C1=O	ZINC001082510169	908031739	/nfs/dbraw/zinc/03/17/39/908031739.db2.gz	BEXHOTQUEKMQMW-ZTFGCOKTSA-N	1	0	371.485	1.445	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3F)C2)o1	ZINC001082499220	908078284	/nfs/dbraw/zinc/07/82/84/908078284.db2.gz	YFEPCZUKQKVILB-BDJLRTHQSA-N	1	0	357.389	1.568	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]Cc1cc(-c2cnn(C)c2)no1	ZINC001082504893	908118170	/nfs/dbraw/zinc/11/81/70/908118170.db2.gz	QQXDHZPZFVVPPA-FZKQIMNGSA-N	1	0	353.426	1.425	20	30		FDEDRO
COCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)nn1	ZINC001082506934	908139842	/nfs/dbraw/zinc/13/98/42/908139842.db2.gz	PPTCMXIPPSCWGJ-RHSMWYFYSA-N	1	0	368.441	1.046	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc3n(n2)CCC3)C1	ZINC001082519424	908210150	/nfs/dbraw/zinc/21/01/50/908210150.db2.gz	KVUYIEXKFNVCRZ-AXUOBQJMSA-N	1	0	358.486	1.747	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cncc(OC)n2)C1	ZINC001082519431	908210955	/nfs/dbraw/zinc/21/09/55/908210955.db2.gz	LOBCTSIENPYYIX-DZUCGIPZSA-N	1	0	360.458	1.403	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccn3nnnc23)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082532368	908287900	/nfs/dbraw/zinc/28/79/00/908287900.db2.gz	PCBUSLJSYVSVJZ-CXAGYDPISA-N	1	0	361.409	1.246	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC(OC)C2)CC1	ZINC000997358282	908315027	/nfs/dbraw/zinc/31/50/27/908315027.db2.gz	XPYRUBOODPGOBZ-RBGSFJITSA-N	1	0	373.497	1.005	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC2(C)C)CC1	ZINC000997357033	908325128	/nfs/dbraw/zinc/32/51/28/908325128.db2.gz	IYEOROZBAJKMDY-OWSLCNJRSA-N	1	0	357.498	1.626	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccncc2)CC1	ZINC000997357308	908325184	/nfs/dbraw/zinc/32/51/84/908325184.db2.gz	JVFRJLYMNCPFAK-QYZOEREBSA-N	1	0	366.465	1.289	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@]2(C)CCOC2)CC1	ZINC000997357296	908325244	/nfs/dbraw/zinc/32/52/44/908325244.db2.gz	JOLDUXBAYUBVIJ-WKRCXCSHSA-N	1	0	373.497	1.006	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@]1(C)C[N@H+](CCCCOC)CCO1	ZINC001107952723	908373850	/nfs/dbraw/zinc/37/38/50/908373850.db2.gz	KGPRTHIZGFSIIU-ZIFCJYIRSA-N	1	0	354.491	1.601	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2cc3c(cc2OC)C[C@H](C)O3)CC1	ZINC000921566130	908382380	/nfs/dbraw/zinc/38/23/80/908382380.db2.gz	AXKGBIGQJILOCC-AWEZNQCLSA-N	1	0	357.454	1.915	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082541796	908407442	/nfs/dbraw/zinc/40/74/42/908407442.db2.gz	MXWHRLMAODNZRV-ISTRZQFTSA-N	1	0	358.417	1.112	20	30		FDEDRO
CCN1C[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)s3)C2)CC1=O	ZINC001082543197	908421672	/nfs/dbraw/zinc/42/16/72/908421672.db2.gz	LTKCHTZFDOVUOX-XJKCOSOUSA-N	1	0	360.483	1.425	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc(C4CC4)n(C)n3)C[C@H]2C)C1=O	ZINC001082545737	908450119	/nfs/dbraw/zinc/45/01/19/908450119.db2.gz	YPXCWTYUPZANKK-UKPHBRMFSA-N	1	0	371.485	1.135	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2c(C)nnn2CC)C[C@H]1C	ZINC001082555054	908551040	/nfs/dbraw/zinc/55/10/40/908551040.db2.gz	PZZSGSJPOFCIGC-BXKDBHETSA-N	1	0	356.268	1.565	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnc3n2CCOC3)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082572684	908680530	/nfs/dbraw/zinc/68/05/30/908680530.db2.gz	RXOXBCWGWSEKHM-RHSMWYFYSA-N	1	0	365.437	1.535	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnc(Cl)s2)C1	ZINC001082567877	908704158	/nfs/dbraw/zinc/70/41/58/908704158.db2.gz	IESSDABCRYTRAC-YUELXQCFSA-N	1	0	366.918	1.831	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082575807	908739138	/nfs/dbraw/zinc/73/91/38/908739138.db2.gz	BJIJMCDNQRNRLB-ZTFGCOKTSA-N	1	0	370.453	1.052	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(Br)n[nH]2)[C@H](OC)C1	ZINC001212350878	908898687	/nfs/dbraw/zinc/89/86/87/908898687.db2.gz	JJNIQRNHRNRART-RAIGVLPGSA-N	1	0	371.279	1.956	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1)S(C)(=O)=O	ZINC001082597532	908944265	/nfs/dbraw/zinc/94/42/65/908944265.db2.gz	CKKSLEVNCGARDY-XHBSWPGZSA-N	1	0	367.446	1.067	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@H]2COCCN2CC)C[C@H]1C	ZINC001082607871	908981250	/nfs/dbraw/zinc/98/12/50/908981250.db2.gz	TZMJPLGLBSTKGP-BNOWGMLFSA-N	1	0	360.296	1.052	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3n[nH]c4c3CCCC4)C[C@H]2C)C1=O	ZINC001082614211	909044123	/nfs/dbraw/zinc/04/41/23/909044123.db2.gz	VYKDYPLCLZAEEE-KBRIMQKVSA-N	1	0	371.485	1.126	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCCC(=O)N2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082632415	909187096	/nfs/dbraw/zinc/18/70/96/909187096.db2.gz	VQRZUVXBOQHBNS-FHLIZLRMSA-N	1	0	354.454	1.554	20	30		FDEDRO
COc1nccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)s3)C2)n1	ZINC001082636519	909235958	/nfs/dbraw/zinc/23/59/58/909235958.db2.gz	YORDQTUHUBXEEV-IAQYHMDHSA-N	1	0	357.439	1.669	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)C[C@H]1C	ZINC001082672362	909436754	/nfs/dbraw/zinc/43/67/54/909436754.db2.gz	MODFLLWOUFLIGS-NOZJJQNGSA-N	1	0	354.838	1.318	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3ccccc3)C[C@H]2O)nn1	ZINC001077813923	909520684	/nfs/dbraw/zinc/52/06/84/909520684.db2.gz	JWTLAOCJJZTSBD-YXJHDRRASA-N	1	0	355.442	1.390	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082692645	909631318	/nfs/dbraw/zinc/63/13/18/909631318.db2.gz	HWDSIXFJKIJZDW-OAUYIBNBSA-N	1	0	358.417	1.112	20	30		FDEDRO
Cc1cnn(C)c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC001082693412	909635092	/nfs/dbraw/zinc/63/50/92/909635092.db2.gz	UAJKRZHWXPWIOA-CXAGYDPISA-N	1	0	355.417	1.990	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082693863	909637165	/nfs/dbraw/zinc/63/71/65/909637165.db2.gz	BKLQTIKQVFIOPG-SFKBXODTSA-N	1	0	355.438	1.418	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccn(CC)c3C)C[C@H]2C)C1=O	ZINC001082698416	909662722	/nfs/dbraw/zinc/66/27/22/909662722.db2.gz	GVHURHAGWFNUIY-FHLIZLRMSA-N	1	0	358.486	1.653	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cnc4n3CCCC4)C[C@H]2C)C1=O	ZINC001082700984	909680566	/nfs/dbraw/zinc/68/05/66/909680566.db2.gz	FPQDVCNVFIPIKD-OWCLPIDISA-N	1	0	371.485	1.056	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]CC1CCN(C(=O)[C@]23C[C@H]2COC3)CC1	ZINC000997796598	909724925	/nfs/dbraw/zinc/72/49/25/909724925.db2.gz	MZEKTEMVNBNPLI-RXVVDRJESA-N	1	0	369.465	1.932	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCS2(=O)=O)C1	ZINC001082721846	909827593	/nfs/dbraw/zinc/82/75/93/909827593.db2.gz	MKRGMEJEHDWTTG-INMHGKMJSA-N	1	0	357.520	1.061	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(=O)n4nccc4[nH]3)C2)C1	ZINC001082727431	909854432	/nfs/dbraw/zinc/85/44/32/909854432.db2.gz	AZOSXMDRCRNNSS-UKRRQHHQSA-N	1	0	355.442	1.315	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CCc3cncs3)C[C@H]2C)C1=O	ZINC001082744947	909967826	/nfs/dbraw/zinc/96/78/26/909967826.db2.gz	RIMITTSJUZXYOG-FVQBIDKESA-N	1	0	362.499	1.299	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3nccc4[nH]ccc43)C[C@H]2C)C1=O	ZINC001082751050	909994872	/nfs/dbraw/zinc/99/48/72/909994872.db2.gz	DRGMSRLFVHTPDB-KBRIMQKVSA-N	1	0	367.453	1.400	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncc(Cl)n2C)C1	ZINC001082751818	909998442	/nfs/dbraw/zinc/99/84/42/909998442.db2.gz	AGKKPPDMGUWIRS-SYQHCUMBSA-N	1	0	352.866	1.601	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)Cc3ccc(CC)cn3)C[C@H]2C)C1=O	ZINC001082754562	910006646	/nfs/dbraw/zinc/00/66/46/910006646.db2.gz	IXMTWLNAZOTVHU-ATZDWAIDSA-N	1	0	370.497	1.410	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)C3Cc4ccccc4C3)C[C@H]2C)C1=O	ZINC001082761321	910039768	/nfs/dbraw/zinc/03/97/68/910039768.db2.gz	URPILCVVPBGSMC-CDHQVMDDSA-N	1	0	367.493	1.625	20	30		FDEDRO
COc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)s3)C2)n1	ZINC001082785531	910084086	/nfs/dbraw/zinc/08/40/86/910084086.db2.gz	KJWQTBPUMUXAGV-IAQYHMDHSA-N	1	0	357.439	1.669	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082779204	910129143	/nfs/dbraw/zinc/12/91/43/910129143.db2.gz	SXUMQLHVLKXXNY-BXUZGUMPSA-N	1	0	369.512	1.379	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccc4cccnn43)C[C@H]2C)C1=O	ZINC001082789783	910153776	/nfs/dbraw/zinc/15/37/76/910153776.db2.gz	UKUIWZJSKCYPEL-HYVNUMGLSA-N	1	0	367.453	1.171	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@@H]1CCC[N@H+](CC(=O)N(C)C)CC1	ZINC000998010483	910173768	/nfs/dbraw/zinc/17/37/68/910173768.db2.gz	FJBFHZFOVHOSRR-KURKYZTESA-N	1	0	365.518	1.759	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCc3cnn(C)c3)C2)cc1	ZINC001082790682	910190083	/nfs/dbraw/zinc/19/00/83/910190083.db2.gz	LCALHDRANWTTHE-OXQOHEQNSA-N	1	0	366.465	1.725	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2nc3ncccn3n2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082815944	910287437	/nfs/dbraw/zinc/28/74/37/910287437.db2.gz	QMUHMGJBLKOHCG-CZUORRHYSA-N	1	0	361.409	1.246	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccnc(OC)n2)CC1	ZINC000998095868	910337388	/nfs/dbraw/zinc/33/73/88/910337388.db2.gz	WZKOLPHZYKJGFA-SJORKVTESA-N	1	0	360.458	1.405	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C)ncn2)C1	ZINC001082868942	910508583	/nfs/dbraw/zinc/50/85/83/910508583.db2.gz	FDQVVGJKXOBYHQ-RDTXWAMCSA-N	1	0	365.437	1.442	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CC(C)(C)CO2)C1	ZINC001082869228	910512831	/nfs/dbraw/zinc/51/28/31/910512831.db2.gz	YHRUNQFPXSJOIR-SOLBZPMBSA-N	1	0	371.481	1.959	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCC[C@@H](C)C3)C2)nc1	ZINC001082869243	910513596	/nfs/dbraw/zinc/51/35/96/910513596.db2.gz	ZHGIFBCMCHKGEJ-GPMSIDNRSA-N	1	0	368.481	1.372	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCCCCC3)C2)cn1	ZINC001082870170	910517066	/nfs/dbraw/zinc/51/70/66/910517066.db2.gz	FCOQHPXCZABNCH-VQIMIIECSA-N	1	0	368.481	1.516	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(OC)n3)C2)cn1	ZINC001082870481	910519644	/nfs/dbraw/zinc/51/96/44/910519644.db2.gz	ZVOGRNANLHFCDM-RDTXWAMCSA-N	1	0	350.422	1.717	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCn3nc(C)cc3C)C[C@H]2OC)CCC1	ZINC001212393249	910657442	/nfs/dbraw/zinc/65/74/42/910657442.db2.gz	JVZAYRDLWSSXMD-QZTJIDSGSA-N	1	0	358.486	1.509	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@H]2OC)CCOCC1	ZINC001212395423	910733368	/nfs/dbraw/zinc/73/33/68/910733368.db2.gz	GEDLFFLGVOJGGG-RCCFBDPRSA-N	1	0	364.486	1.049	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)CCc3cccs3)C[C@H]2C)C1=O	ZINC001082910861	910850924	/nfs/dbraw/zinc/85/09/24/910850924.db2.gz	OHQOPTYMOSQNFV-HYVNUMGLSA-N	1	0	361.511	1.904	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)CCN2CCCC2=O)C[C@H]1C	ZINC001082928126	910965023	/nfs/dbraw/zinc/96/50/23/910965023.db2.gz	SKYIYGUJRSCKJP-DGCLKSJQSA-N	1	0	358.280	1.344	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082931848	910976311	/nfs/dbraw/zinc/97/63/11/910976311.db2.gz	PCUASCJCJVZCPC-XYPHTWIQSA-N	1	0	361.467	1.072	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccccc3N(C)C)C[C@H]2C)C1=O	ZINC001082957263	911139119	/nfs/dbraw/zinc/13/91/19/911139119.db2.gz	YRNLJUOESQCGDK-BPQIPLTHSA-N	1	0	370.497	1.590	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cnn(C)c3C3CC3)C[C@H]2C)C1=O	ZINC001082958553	911147732	/nfs/dbraw/zinc/14/77/32/911147732.db2.gz	IXEPQNKJRINWSM-KBRIMQKVSA-N	1	0	371.485	1.135	20	30		FDEDRO
C=CC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)C2	ZINC000998932703	911873629	/nfs/dbraw/zinc/87/36/29/911873629.db2.gz	DNVXMKVIMLCTTL-ZMBDQIMXSA-N	1	0	373.497	1.310	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)C2CC[NH+](C(C)C)CC2)C1	ZINC000998938549	911908949	/nfs/dbraw/zinc/90/89/49/911908949.db2.gz	UICAPYOTBOGYLP-MSOLQXFVSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC(=O)N(C(CC)CC)C3)[C@H]2C1	ZINC001083097857	911998558	/nfs/dbraw/zinc/99/85/58/911998558.db2.gz	QZHDXAVVKZTPFQ-BPQIPLTHSA-N	1	0	363.502	1.511	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3Cc4cc(Cl)ccc4O3)[C@H]2C1	ZINC001083135498	912174325	/nfs/dbraw/zinc/17/43/25/912174325.db2.gz	HFDRFWXJKZSMMI-CGTJXYLNSA-N	1	0	360.841	1.578	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4ccc(=O)[nH]c4)[C@@H]3C2)cc1	ZINC001084527050	915198348	/nfs/dbraw/zinc/19/83/48/915198348.db2.gz	YISMVOOJPPUDHS-RTBURBONSA-N	1	0	362.433	1.934	20	30		FDEDRO
Cn1ccnc1CCC(=O)N1C[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001084540736	915263989	/nfs/dbraw/zinc/26/39/89/915263989.db2.gz	VLTPBXLCZSXDAT-RTBURBONSA-N	1	0	363.465	1.957	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C[C@](O)(c2nccn2C)C(F)(F)F)CC1	ZINC000729978487	915900185	/nfs/dbraw/zinc/90/01/85/915900185.db2.gz	PKTCKAMLZXBARR-HNNXBMFYSA-N	1	0	360.380	1.327	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]21	ZINC001084672636	916064013	/nfs/dbraw/zinc/06/40/13/916064013.db2.gz	FQXVQPNXASLWLX-TVFCKZIOSA-N	1	0	357.454	1.009	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2ccc(NS(C)(=O)=O)cc2)CC1	ZINC000730124760	916178135	/nfs/dbraw/zinc/17/81/35/916178135.db2.gz	FFBSFJCQDHXQCR-UHFFFAOYSA-N	1	0	352.460	1.830	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c(cn3)nc[nH]c4=O)[C@@H]2C1	ZINC001084801695	917226294	/nfs/dbraw/zinc/22/62/94/917226294.db2.gz	MKOQHGILMOOOLT-CXAGYDPISA-N	1	0	353.426	1.843	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cnnn4)c3)[C@@H]2C1	ZINC001084824289	917449071	/nfs/dbraw/zinc/44/90/71/917449071.db2.gz	RKRZNVXOVUQNQS-SJLPKXTDSA-N	1	0	352.442	1.775	20	30		FDEDRO
COc1ccc(CN2CC[C@@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)[C@@H]3C2)cc1C#N	ZINC001084830363	917506619	/nfs/dbraw/zinc/50/66/19/917506619.db2.gz	SUZJVVNMPKYVDT-ZIFCJYIRSA-N	1	0	368.481	1.551	20	30		FDEDRO
C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(Cc4ccc(C#N)cc4F)C[C@H]32)C1	ZINC001084830271	917507559	/nfs/dbraw/zinc/50/75/59/917507559.db2.gz	QCRGKACHPHCLRJ-ZHALLVOQSA-N	1	0	356.445	1.682	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4nccn4CC)C[C@H]32)CC1	ZINC001084851057	917658722	/nfs/dbraw/zinc/65/87/22/917658722.db2.gz	LGAADKVFDJYNIJ-RTBURBONSA-N	1	0	369.513	1.281	20	30		FDEDRO
CC[NH+](CC)Cc1cc(C(C)=NNc2nc3[nH][nH]cc-3c(=O)n2)ccc1O	ZINC000731154815	917797617	/nfs/dbraw/zinc/79/76/17/917797617.db2.gz	FMZSILUUQLIIHZ-UHFFFAOYSA-N	1	0	369.429	1.816	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)c4cc[n+]([O-])cc4)C[C@@H]32)cc1	ZINC001084884615	917985040	/nfs/dbraw/zinc/98/50/40/917985040.db2.gz	SKQRPBWLMMRBDL-QUCCMNQESA-N	1	0	362.433	1.928	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)CCc3nnc[nH]3)C[C@@H]21	ZINC001084915118	918281124	/nfs/dbraw/zinc/28/11/24/918281124.db2.gz	DTHKIKBFWHHKBJ-QAPCUYQASA-N	1	0	364.453	1.732	20	30		FDEDRO
C[C@H](C(=O)N1CC[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@H]2C1)n1cncn1	ZINC001084924954	918351801	/nfs/dbraw/zinc/35/18/01/918351801.db2.gz	CJXDHJWRRDHSGB-LZQZEXGQSA-N	1	0	364.453	1.834	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](CCO[C@@H]4CC4(F)F)[C@H]3C2)[nH]1	ZINC001084921736	918365099	/nfs/dbraw/zinc/36/50/99/918365099.db2.gz	RFCAUZFNXIPCTA-UHOFOFEASA-N	1	0	364.396	1.847	20	30		FDEDRO
CC(=O)N1CC(C(=O)N2CC[C@H]3CC[N@H+](Cc4cccc(C#N)c4)[C@H]3C2)C1	ZINC001084929185	918384416	/nfs/dbraw/zinc/38/44/16/918384416.db2.gz	QMVYJRZWSAHKFX-QUCCMNQESA-N	1	0	366.465	1.459	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cc[nH]c4CC)C[C@@H]32)C1=O	ZINC001084933524	918433204	/nfs/dbraw/zinc/43/32/04/918433204.db2.gz	MPOMAPXSFMFOEU-IPELMVKDSA-N	1	0	370.497	1.900	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4[nH]ccc4C)C[C@@H]32)C1=O	ZINC001084932448	918485384	/nfs/dbraw/zinc/48/53/84/918485384.db2.gz	XXHMQLNVIQMKIJ-ULQDDVLXSA-N	1	0	356.470	1.646	20	30		FDEDRO
CCn1ncc(C(=O)N2CC[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)[C@H]3C2)n1	ZINC001084935244	918545984	/nfs/dbraw/zinc/54/59/84/918545984.db2.gz	PMFHXPPYHZTWCO-MJGOQNOKSA-N	1	0	364.453	1.906	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)Cn4nccn4)C[C@@H]32)c1	ZINC001084949540	918683956	/nfs/dbraw/zinc/68/39/56/918683956.db2.gz	CYMHZMUMIOKJTL-MSOLQXFVSA-N	1	0	350.426	1.273	20	30		FDEDRO
CC(=NNC(=S)NCCC[NH+](C)C)c1ccc(N2CCCC2=O)cc1	ZINC000731928153	918845165	/nfs/dbraw/zinc/84/51/65/918845165.db2.gz	FLCRCVAVNAHHQM-UHFFFAOYSA-N	1	0	361.515	1.953	20	30		FDEDRO
CC(=NNC(=S)NCCC[NH+](C)C)c1ccc(S(C)(=O)=O)cc1	ZINC000731929650	918850358	/nfs/dbraw/zinc/85/03/58/918850358.db2.gz	ZXQPAAJJFWPOKR-UHFFFAOYSA-N	1	0	356.517	1.230	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3c(C)oc4nc[nH]c(=O)c43)C[C@@H]21	ZINC001084958923	918857012	/nfs/dbraw/zinc/85/70/12/918857012.db2.gz	FSKHDQJKBJKFRW-KGLIPLIRSA-N	1	0	354.410	1.797	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@]3(C4CCCC4)CCNC3=O)C[C@@H]21	ZINC001084961733	918866592	/nfs/dbraw/zinc/86/65/92/918866592.db2.gz	WTFPOKYGPFQKGW-MMOPVJDHSA-N	1	0	357.498	1.629	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cccnc3C)[C@H]2C1	ZINC001084961246	918908651	/nfs/dbraw/zinc/90/86/51/918908651.db2.gz	VBWOIYHKOLVWFJ-GIVPXCGWSA-N	1	0	366.509	1.910	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4c[nH]nc4CC)C[C@@H]32)C1=O	ZINC001084979140	919073927	/nfs/dbraw/zinc/07/39/27/919073927.db2.gz	XLJGPBCZACKNNA-WBAXXEDZSA-N	1	0	371.485	1.295	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnc4c(c3)NC(=O)CO4)C[C@@H]21	ZINC001084981001	919153856	/nfs/dbraw/zinc/15/38/56/919153856.db2.gz	QTIJTEIWFOPLBN-CJNGLKHVSA-N	1	0	356.426	1.525	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[C@H](OC)CN3C(C)=O)C[C@@H]21	ZINC001084999227	919404462	/nfs/dbraw/zinc/40/44/62/919404462.db2.gz	DLEAHZUGNFTXEL-HCXYKTFWSA-N	1	0	363.502	1.511	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CCNC4=O)C[C@@H]32)c(F)c1	ZINC001085005261	919505266	/nfs/dbraw/zinc/50/52/66/919505266.db2.gz	NFTMHYZHTUZDGF-HFTRVMKXSA-N	1	0	370.428	1.256	20	30		FDEDRO
CN1C(=O)CC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@H]2C1	ZINC001085008489	919556804	/nfs/dbraw/zinc/55/68/04/919556804.db2.gz	BEOASCMFGIPOKH-MNEFBYGVSA-N	1	0	366.465	1.602	20	30		FDEDRO
CN1C[C@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4ccccc4C#N)[C@H]3C2)NC1=O	ZINC001085006558	919575515	/nfs/dbraw/zinc/57/55/15/919575515.db2.gz	HDTBSBQJXHGRFA-OLMNPRSZSA-N	1	0	367.453	1.005	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]21	ZINC001085019182	919722345	/nfs/dbraw/zinc/72/23/45/919722345.db2.gz	QWWOZDBXYSQEJU-KDOFPFPSSA-N	1	0	363.421	1.378	20	30		FDEDRO
C#Cc1ccc(C(=O)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)nc1	ZINC000732763657	920041462	/nfs/dbraw/zinc/04/14/62/920041462.db2.gz	JADBMEMPYDAOPX-UHFFFAOYSA-N	1	0	350.422	1.284	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(-n4cncn4)n3)C[C@@H]21	ZINC001085065995	920375526	/nfs/dbraw/zinc/37/55/26/920375526.db2.gz	WVILHKJFAOYEDY-WBVHZDCISA-N	1	0	350.426	1.222	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(C)nc4cc(C)nn43)C[C@@H]21	ZINC001085096002	920878437	/nfs/dbraw/zinc/87/84/37/920878437.db2.gz	WYBWPAHSYHPEIT-AEFFLSMTSA-N	1	0	351.454	1.906	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN(C(=O)CCC)C3)C[C@@H]21	ZINC001085099987	920906821	/nfs/dbraw/zinc/90/68/21/920906821.db2.gz	XDSJEOWLHBBPRV-QRVBRYPASA-N	1	0	359.514	1.971	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(Cc4cc(C)on4)[C@H]3C2)CC1	ZINC001085100515	920914643	/nfs/dbraw/zinc/91/46/43/920914643.db2.gz	JJSCYEUZJXAUSX-XLIONFOSSA-N	1	0	370.497	1.751	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4[nH]cnc4C)C[C@@H]32)C1=O	ZINC001085108022	920972118	/nfs/dbraw/zinc/97/21/18/920972118.db2.gz	BFPKPDCIIBEADU-JYJNAYRXSA-N	1	0	357.458	1.041	20	30		FDEDRO
Cc1nonc1C(=O)N1CC[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@H]2C1	ZINC001085106003	920981319	/nfs/dbraw/zinc/98/13/19/920981319.db2.gz	AURCCVCDIKNRAS-SJORKVTESA-N	1	0	351.410	1.986	20	30		FDEDRO
O=C(NCC[NH2+]Cc1ccc(-n2cncn2)c(F)c1)C1N=CC=CC1=O	ZINC000733333505	920989450	/nfs/dbraw/zinc/98/94/50/920989450.db2.gz	OBUFAPVKZYLKNQ-MSUUIHNZSA-N	1	0	356.361	1.022	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1nccnc1N	ZINC001085154716	921846147	/nfs/dbraw/zinc/84/61/47/921846147.db2.gz	IKXGNPJEWPXOOF-GHMZBOCLSA-N	1	0	354.252	1.598	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C(N)=O)c2)[nH]1	ZINC001085173735	921968617	/nfs/dbraw/zinc/96/86/17/921968617.db2.gz	IQQWPKIHHFQYGS-IAGOWNOFSA-N	1	0	365.437	1.816	20	30		FDEDRO
C[C@H]1CCCCN1C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC001085174062	921969849	/nfs/dbraw/zinc/96/98/49/921969849.db2.gz	UTJQMQHOLJZWDH-USXIJHARSA-N	1	0	371.485	1.918	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(C#N)c2)nn1	ZINC001085174537	921992760	/nfs/dbraw/zinc/99/27/60/921992760.db2.gz	GMQSMMNHLMEIOE-HZPDHXFCSA-N	1	0	354.414	1.516	20	30		FDEDRO
CN1CCOC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001085175382	921998885	/nfs/dbraw/zinc/99/88/85/921998885.db2.gz	OBDKJGJCDATTHH-GUDVDZBRSA-N	1	0	356.470	1.406	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2nccn2CC)C1=O	ZINC001085185149	922100213	/nfs/dbraw/zinc/10/02/13/922100213.db2.gz	CSOFUWRPCIBJML-OAGGEKHMSA-N	1	0	359.474	1.321	20	30		FDEDRO
C=CCn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](CC2CC2)CC1	ZINC000282591984	922179245	/nfs/dbraw/zinc/17/92/45/922179245.db2.gz	MAGIFZIWCBAUIL-UHFFFAOYSA-N	1	0	355.490	1.858	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CCN(c3nc(C)cc(C#N)n3)C2)CC[N@@H+]1C	ZINC001065346640	922245149	/nfs/dbraw/zinc/24/51/49/922245149.db2.gz	YBDWTRFITOZTTG-FRQCXROJSA-N	1	0	356.474	1.472	20	30		FDEDRO
C=CCCC(=O)N1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1	ZINC001065703256	922430648	/nfs/dbraw/zinc/43/06/48/922430648.db2.gz	AUQHUIVZLZHGPJ-FGTMMUONSA-N	1	0	362.518	1.038	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)CC1	ZINC001066216688	922609292	/nfs/dbraw/zinc/60/92/92/922609292.db2.gz	CTZLNPOYBGDWJS-KURKYZTESA-N	1	0	365.518	1.805	20	30		FDEDRO
CCC[N@H+](CC(=O)NCCC#N)C1CCN(c2cc(C)nc(C)n2)CC1	ZINC000733995998	922776892	/nfs/dbraw/zinc/77/68/92/922776892.db2.gz	ITCVHXIDDSMFRK-UHFFFAOYSA-N	1	0	358.490	1.804	20	30		FDEDRO
CCN1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)CC1=O	ZINC001085216351	922848877	/nfs/dbraw/zinc/84/88/77/922848877.db2.gz	MTZKWEGJIDNFNQ-IPMKNSEASA-N	1	0	368.481	1.944	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)C2(F)CCOCC2)C1=O	ZINC001085220517	922883197	/nfs/dbraw/zinc/88/31/97/922883197.db2.gz	XSENRIBEOAGPSX-OAGGEKHMSA-N	1	0	367.465	1.309	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nccnc1C	ZINC001085229840	922983030	/nfs/dbraw/zinc/98/30/30/922983030.db2.gz	MWPVWJORGPEJGL-LMMKCTJWSA-N	1	0	355.486	1.400	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)n(C)cn1	ZINC001085230384	922988748	/nfs/dbraw/zinc/98/87/48/922988748.db2.gz	TUTARUUNHMWEIW-VXGBXAGGSA-N	1	0	369.263	1.320	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCNC1=O	ZINC001085232953	923004744	/nfs/dbraw/zinc/00/47/44/923004744.db2.gz	FVVHFTHVXCIBFQ-YNEHKIRRSA-N	1	0	358.280	1.438	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCCNC2=O)cc1	ZINC001085232841	923005361	/nfs/dbraw/zinc/00/53/61/923005361.db2.gz	AVNNIVWDYUYZSG-KZNAEPCWSA-N	1	0	354.454	1.601	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c(C)ncn2C)C1=O	ZINC001085233726	923013132	/nfs/dbraw/zinc/01/31/32/923013132.db2.gz	JDTVULVGGIAKNS-BZUAXINKSA-N	1	0	359.474	1.146	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC1=O	ZINC001085248058	923150799	/nfs/dbraw/zinc/15/07/99/923150799.db2.gz	PRMWIJNJVJDXGO-BRWVUGGUSA-N	1	0	357.454	1.771	20	30		FDEDRO
N#C[C@H]1CN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CCN1C1CC1	ZINC000734282352	923173921	/nfs/dbraw/zinc/17/39/21/923173921.db2.gz	DUMNNZOQTMHVEA-ZWKOTPCHSA-N	1	0	361.490	1.012	20	30		FDEDRO
N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCC[C@@H](OCCO)C1	ZINC000734486044	923378199	/nfs/dbraw/zinc/37/81/99/923378199.db2.gz	YYHSJFVAMCDGQQ-HZPDHXFCSA-N	1	0	366.421	1.697	20	30		FDEDRO
Cn1c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)s2)c[nH]c1=O	ZINC001085297223	923626462	/nfs/dbraw/zinc/62/64/62/923626462.db2.gz	SHBLYQJENJSEFO-ZIAGYGMSSA-N	1	0	359.455	1.890	20	30		FDEDRO
CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001085300741	923665813	/nfs/dbraw/zinc/66/58/13/923665813.db2.gz	GIAITYPNLLTBMR-KURKYZTESA-N	1	0	354.454	1.696	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(=O)cn2)cc1	ZINC001085312391	923731101	/nfs/dbraw/zinc/73/11/01/923731101.db2.gz	CDTRTGUDYZEKGM-HZPDHXFCSA-N	1	0	351.410	1.472	20	30		FDEDRO
C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)CCC(=O)N1	ZINC001085321697	923868093	/nfs/dbraw/zinc/86/80/93/923868093.db2.gz	DRSRCELBWLPCHM-HLIPFELVSA-N	1	0	354.454	1.744	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCN(CC)C2=O)c1	ZINC001085326406	923887522	/nfs/dbraw/zinc/88/75/22/923887522.db2.gz	MMKBIZDLQLPIFX-KURKYZTESA-N	1	0	354.454	1.314	20	30		FDEDRO
C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)CCNC1=O	ZINC001085329858	923924011	/nfs/dbraw/zinc/92/40/11/923924011.db2.gz	INFDUZCOUMVFKS-MBOZVWFJSA-N	1	0	354.454	1.601	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnc(C)cn2)nn1	ZINC001085358818	924173324	/nfs/dbraw/zinc/17/33/24/924173324.db2.gz	UVILGLIYMCPFFX-IAGOWNOFSA-N	1	0	369.473	1.783	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnnn1C	ZINC001085357909	924193009	/nfs/dbraw/zinc/19/30/09/924193009.db2.gz	XTPFHNKGMRNJKH-MLHJIOFPSA-N	1	0	361.490	1.703	20	30		FDEDRO
N#CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2nnc[nH]2)cc1	ZINC001085368249	924270195	/nfs/dbraw/zinc/27/01/95/924270195.db2.gz	LIEYZHGQIFHMEK-HZPDHXFCSA-N	1	0	354.414	1.538	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21	ZINC000826804657	924317635	/nfs/dbraw/zinc/31/76/35/924317635.db2.gz	QNOTWDVPUZELHL-INMHGKMJSA-N	1	0	354.458	1.402	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C(N)=O)c[nH]2)s1	ZINC001085376893	924317702	/nfs/dbraw/zinc/31/77/02/924317702.db2.gz	YDHJHFQCTNSHNV-HUUCEWRRSA-N	1	0	371.466	1.878	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1[nH]c(=O)[nH]c(=O)c1OC	ZINC001085392953	924399082	/nfs/dbraw/zinc/39/90/82/924399082.db2.gz	ZDXKRPOXCLZRMC-NXEZZACHSA-N	1	0	356.810	1.280	20	30		FDEDRO
C[NH+](C)CCNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	ZINC000735585671	924434954	/nfs/dbraw/zinc/43/49/54/924434954.db2.gz	LNZLTBVLCYKZHK-SFHVURJKSA-N	1	0	350.422	1.958	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCC(=O)N2)cc1F	ZINC001085399030	924450674	/nfs/dbraw/zinc/45/06/74/924450674.db2.gz	MTEIXBAWHUABGH-ZACQAIPSSA-N	1	0	358.417	1.493	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)CCNC(=O)C1N=CC=CC1=O)Cc1ccccc1	ZINC000735834729	924591753	/nfs/dbraw/zinc/59/17/53/924591753.db2.gz	GIPCQSOHPXDFQN-ZBBYCGENSA-N	1	0	370.453	1.192	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2N[C@H](C)c2ncccn2)CC1	ZINC001085432633	924680021	/nfs/dbraw/zinc/68/00/21/924680021.db2.gz	IGDJKZPEXKLDML-BHIYHBOVSA-N	1	0	369.513	1.900	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)N2CC[NH+](CC3CCOCC3)CC2)nc1	ZINC000737036508	924932745	/nfs/dbraw/zinc/93/27/45/924932745.db2.gz	BTWLYWYDWWWANB-UHFFFAOYSA-N	1	0	372.473	1.119	20	30		FDEDRO
CC[N@H+](C[C@H]1CCOC1)CN1CC(=O)N(Cc2ccccc2C#N)C1=O	ZINC000738075679	925088878	/nfs/dbraw/zinc/08/88/78/925088878.db2.gz	IZLQAYADBBVAFX-OAHLLOKOSA-N	1	0	356.426	1.638	20	30		FDEDRO
CC[N@H+](C[C@H]1CCOC1)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O	ZINC000738084095	925090938	/nfs/dbraw/zinc/09/09/38/925090938.db2.gz	YSKZJXPUJWRFKG-DNVCBOLYSA-N	1	0	356.426	1.641	20	30		FDEDRO
C[NH+](C)[C@H]1CCCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1	ZINC000738143696	925102275	/nfs/dbraw/zinc/10/22/75/925102275.db2.gz	HFNJOZSUFIOTHP-LPHOPBHVSA-N	1	0	355.442	1.309	20	30		FDEDRO
Cc1cn2cc(NC(=O)NCCNC(=O)C3N=CC=CC3=O)ccc2n1	ZINC000738919984	925212309	/nfs/dbraw/zinc/21/23/09/925212309.db2.gz	MVQHQIYYKBJBNW-NXVVXOECSA-N	1	0	354.370	1.291	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1	ZINC000740737420	925421069	/nfs/dbraw/zinc/42/10/69/925421069.db2.gz	CRBMBDYIWRDCJR-UHFFFAOYSA-N	1	0	362.437	1.544	20	30		FDEDRO
C[NH+](C)CCNC(=O)Cn1cc(NC(=S)Nc2ccccc2C#N)cn1	ZINC000741500552	925782622	/nfs/dbraw/zinc/78/26/22/925782622.db2.gz	JDNWLAUHPPXFDG-UHFFFAOYSA-N	1	0	371.470	1.241	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3C#N)C2)O1	ZINC001086120233	926047116	/nfs/dbraw/zinc/04/71/16/926047116.db2.gz	QQGYFHIMQHKYRT-VVWQDTPRSA-N	1	0	356.470	1.262	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(C#N)c2)C1	ZINC001006285369	926060116	/nfs/dbraw/zinc/06/01/16/926060116.db2.gz	AFGYESVMLNDXKZ-YYQUZTFQSA-N	1	0	355.442	1.090	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH2+]CCS(=O)(=O)NC(C)(C)C)cc1	ZINC000742700034	926150554	/nfs/dbraw/zinc/15/05/54/926150554.db2.gz	PCCBKBZEXCQDRI-UHFFFAOYSA-N	1	0	352.504	1.844	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C3)nc1	ZINC001006286341	926159151	/nfs/dbraw/zinc/15/91/51/926159151.db2.gz	GAGAAOLLNSMAST-OPNNQBFTSA-N	1	0	366.465	1.266	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCN(CC)C2=O)C1	ZINC001086220637	926326340	/nfs/dbraw/zinc/32/63/40/926326340.db2.gz	JWFJCFJTFOHTBC-ADHGMGHFSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nn(CC)nc2C)C1	ZINC001086223576	926340736	/nfs/dbraw/zinc/34/07/36/926340736.db2.gz	WSBGHMYACWAUDM-DFGXFYAUSA-N	1	0	361.490	1.572	20	30		FDEDRO
O=C(NCC[NH2+]Cc1ccc(Oc2cnccn2)cc1)C1N=CC=CC1=O	ZINC000743496500	926371192	/nfs/dbraw/zinc/37/11/92/926371192.db2.gz	BYUDRRVXKKYRAR-VHEBQXMUSA-N	1	0	365.393	1.885	20	30		FDEDRO
C=CCNC(=S)NN=C1c2ccccc2N(CC[NH+](CC)CC)C1=O	ZINC000744685440	926808150	/nfs/dbraw/zinc/80/81/50/926808150.db2.gz	LYTCGEIDVXEAJB-UHFFFAOYSA-N	1	0	359.499	1.729	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1	ZINC001086390089	926978595	/nfs/dbraw/zinc/97/85/95/926978595.db2.gz	AGEKLVOUZBOVDO-LUVWLHFXSA-N	1	0	361.417	1.486	20	30		FDEDRO
C#CCN(CC#CC)C(=O)NCc1ccccc1CN1CC[NH+](CC)CC1	ZINC000745482814	927260516	/nfs/dbraw/zinc/26/05/16/927260516.db2.gz	MPVLEAHQQZEJBN-UHFFFAOYSA-N	1	0	366.509	1.992	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1	ZINC001086503691	927709781	/nfs/dbraw/zinc/70/97/81/927709781.db2.gz	IVCVCIKXEAPSFZ-KLHDSHLOSA-N	1	0	352.866	1.525	20	30		FDEDRO
C[NH+](C)Cc1cc(CNC(=O)CCNC(=O)C2N=CC=CC2=O)ccc1F	ZINC000746274470	927732245	/nfs/dbraw/zinc/73/22/45/927732245.db2.gz	UZLFJQUQKNUQLR-HNENSFHCSA-N	1	0	374.416	1.420	20	30		FDEDRO
CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)Nc1cnn(CC#N)c1	ZINC000746353424	927900964	/nfs/dbraw/zinc/90/09/64/927900964.db2.gz	FZDIOXGJCSKFPE-UHFFFAOYSA-N	1	0	368.441	1.503	20	30		FDEDRO
N#CCSc1ccccc1NC(=O)CN1CC[NH+](CCCCO)CC1	ZINC000746484158	928107103	/nfs/dbraw/zinc/10/71/03/928107103.db2.gz	KWCTZJXBVDZSJZ-UHFFFAOYSA-N	1	0	362.499	1.631	20	30		FDEDRO
CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H](O)CC2(C#N)CCC2)cc1	ZINC001168801523	928108722	/nfs/dbraw/zinc/10/87/22/928108722.db2.gz	SEDNMRPFRSVLBC-ZFWWWQNUSA-N	1	0	351.472	1.690	20	30		FDEDRO
N#Cc1cncc(Br)c1-n1nnc(-c2cccc(C[NH3+])c2)n1	ZINC001168883735	928164690	/nfs/dbraw/zinc/16/46/90/928164690.db2.gz	DYAHKRDHPOPWHP-UHFFFAOYSA-N	1	0	356.187	1.817	20	30		FDEDRO
COc1ccc(CN2CC[C@H]([NH+]3CCN(CCC#N)CC3)CC2=O)cc1	ZINC001168939042	928190278	/nfs/dbraw/zinc/19/02/78/928190278.db2.gz	FDHYXONARQIDQP-SFHVURJKSA-N	1	0	356.470	1.717	20	30		FDEDRO
Cc1ccc(C(=NO)Nc2ncccc2C(=O)NCCC[NH+](C)C)nc1	ZINC001169405629	928508517	/nfs/dbraw/zinc/50/85/17/928508517.db2.gz	VUOMZLMUPRIXRP-UHFFFAOYSA-N	1	0	356.430	1.714	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cnn(CC(C)C)c2)[C@@H](n2ccnn2)C1	ZINC001129342833	928870850	/nfs/dbraw/zinc/87/08/50/928870850.db2.gz	ZZJGIHJMOLPIEI-MSOLQXFVSA-N	1	0	371.489	1.752	20	30		FDEDRO
C=CCCC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2=O)C1	ZINC001108555134	928909860	/nfs/dbraw/zinc/90/98/60/928909860.db2.gz	GFVLYXLUAODKST-JHDROBOHSA-N	1	0	361.486	1.169	20	30		FDEDRO
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000767025589	929053881	/nfs/dbraw/zinc/05/38/81/929053881.db2.gz	RGROPNQSHIXHFH-QZTJIDSGSA-N	1	0	370.453	1.011	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@H]1CCSC1	ZINC000767068789	929066664	/nfs/dbraw/zinc/06/66/64/929066664.db2.gz	LFMNBKCCNCRSKE-KBPBESRZSA-N	1	0	368.503	1.395	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCCOC2)[C@@H](n2ccnn2)C1	ZINC001129359560	929110399	/nfs/dbraw/zinc/11/03/99/929110399.db2.gz	HIOFLYZCSUYWBE-KSZLIROESA-N	1	0	361.490	1.793	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)nc1	ZINC000780641050	929287173	/nfs/dbraw/zinc/28/71/73/929287173.db2.gz	PJGLCBBWUXQLRJ-UHFFFAOYSA-N	1	0	357.458	1.597	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1CCOC)c1ccncc1	ZINC000804354434	929318656	/nfs/dbraw/zinc/31/86/56/929318656.db2.gz	KWPHTVFLHYVBSD-DLBZAZTESA-N	1	0	360.458	1.042	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCNC(=O)C(C)(C)C)C2	ZINC001109585296	929858029	/nfs/dbraw/zinc/85/80/29/929858029.db2.gz	NDYNHZPCTAFLEO-IKGGRYGDSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(n3cnnn3)CCCCC1)C2	ZINC001109592274	929881762	/nfs/dbraw/zinc/88/17/62/929881762.db2.gz	MRHHISJKXGGKJL-IKGGRYGDSA-N	1	0	374.489	1.257	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCCOC	ZINC001109597813	929910086	/nfs/dbraw/zinc/91/00/86/929910086.db2.gz	XMLSFQANOYIUBP-NCOADZHNSA-N	1	0	354.491	1.334	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)N(C)C	ZINC001109634597	929954097	/nfs/dbraw/zinc/95/40/97/929954097.db2.gz	RIKITIMCYQHWRI-NCOADZHNSA-N	1	0	371.547	1.592	20	30		FDEDRO
C#CCCC[NH2+][C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1	ZINC001170014188	929983238	/nfs/dbraw/zinc/98/32/38/929983238.db2.gz	NKRPRLPCWDKXBM-GJZGRUSLSA-N	1	0	367.515	1.900	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2	ZINC001109635839	929986054	/nfs/dbraw/zinc/98/60/54/929986054.db2.gz	VMGLFQNZEIZSGK-BDXSIMOUSA-N	1	0	362.518	1.132	20	30		FDEDRO
Cn1cc(OCC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)cn1	ZINC001109648145	930007267	/nfs/dbraw/zinc/00/72/67/930007267.db2.gz	UHPIJZMOGBTPBS-NEWSRXKRSA-N	1	0	365.437	1.592	20	30		FDEDRO
C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)NC(C)(C)C1=O	ZINC001109658848	930049301	/nfs/dbraw/zinc/04/93/01/930049301.db2.gz	IADUPKMHDJYLQO-ILXRZTDVSA-N	1	0	362.474	1.395	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCC2CCC2)nn1	ZINC001109814143	930516394	/nfs/dbraw/zinc/51/63/94/930516394.db2.gz	NTAGLQRJSAESKV-RYRKJORJSA-N	1	0	359.474	1.616	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCCCN1C(C)=O)C2	ZINC001109829804	930537888	/nfs/dbraw/zinc/53/78/88/930537888.db2.gz	XGJPTDOUVDCMQZ-RDGPPVDQSA-N	1	0	363.502	1.702	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2	ZINC001109841407	930574164	/nfs/dbraw/zinc/57/41/64/930574164.db2.gz	QHYUTLIDACYDLP-QYZOEREBSA-N	1	0	370.497	1.386	20	30		FDEDRO
C#C[C@@H](C)[NH2+][C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1	ZINC001170027979	930723413	/nfs/dbraw/zinc/72/34/13/930723413.db2.gz	XYXREVQNNVQFDM-RDBSUJKOSA-N	1	0	353.488	1.509	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3ccncc31)C2	ZINC001109918479	930733402	/nfs/dbraw/zinc/73/34/02/930733402.db2.gz	JYVKMWDTDFUAEH-MNEFBYGVSA-N	1	0	362.433	1.319	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(N3CCOCC3)CCC1)C2	ZINC001109909724	930738271	/nfs/dbraw/zinc/73/82/71/930738271.db2.gz	IWGWPQLPWUSJLY-SQNIBIBYSA-N	1	0	363.502	1.165	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1C(=O)NC(=O)C1(C)C)C2	ZINC001109925846	930767372	/nfs/dbraw/zinc/76/73/72/930767372.db2.gz	GRKOYVISIRVWOR-KBXIAJHMSA-N	1	0	362.474	1.393	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C(=O)N(C)C)cc1)C2	ZINC001109987536	930957783	/nfs/dbraw/zinc/95/77/83/930957783.db2.gz	BBJJCQGRULUNEK-QYZOEREBSA-N	1	0	371.481	1.926	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C(=O)N(C)C)c1)C2	ZINC001109987729	930958550	/nfs/dbraw/zinc/95/85/50/930958550.db2.gz	HXTPJWRYJMBGKU-QYZOEREBSA-N	1	0	371.481	1.926	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)C(=O)NC3=O)C2	ZINC001109998045	930995409	/nfs/dbraw/zinc/99/54/09/930995409.db2.gz	KLWSUTGJECCUDK-COXVUDFISA-N	1	0	353.422	1.872	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@@H]2CCN(c3sccc3C#N)C2=O)CC1	ZINC000772110018	931080352	/nfs/dbraw/zinc/08/03/52/931080352.db2.gz	NKDARTUCJHWHIC-OAHLLOKOSA-N	1	0	357.435	1.613	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)N[C@H](Cc2ccccc2)C(C)=O)CC1	ZINC000772113415	931080704	/nfs/dbraw/zinc/08/07/04/931080704.db2.gz	OBYVYAUIHPMUAR-LJQANCHMSA-N	1	0	370.449	1.191	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)CC1	ZINC000772114145	931081525	/nfs/dbraw/zinc/08/15/25/931081525.db2.gz	KZJSJFKCLUBOIK-HNNXBMFYSA-N	1	0	357.454	1.968	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCNC(=O)C1CCCCC1)C2	ZINC001112544930	931425295	/nfs/dbraw/zinc/42/52/95/931425295.db2.gz	DGBPAUPZDWHHHZ-RXVVDRJESA-N	1	0	359.514	1.925	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(-n3ccnc3)nn1)C2	ZINC001112545321	931428477	/nfs/dbraw/zinc/42/84/77/931428477.db2.gz	BRMZXTXYVYRWKM-JXFKEZNVSA-N	1	0	364.453	1.518	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn3nc(C)cc3[nH]c1=O)C2	ZINC001112545490	931429365	/nfs/dbraw/zinc/42/93/65/931429365.db2.gz	MUMFJZAKTNYDNH-YWZLYKJASA-N	1	0	367.453	1.186	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1ncccn1)C2	ZINC001112548282	931452446	/nfs/dbraw/zinc/45/24/46/931452446.db2.gz	QFYQQGSNQQFPEK-PXNSSMCTSA-N	1	0	358.486	1.830	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCn1cccc1)C2	ZINC001112551494	931467655	/nfs/dbraw/zinc/46/76/55/931467655.db2.gz	CXDCMUCQZVJHGV-WFXMLNOXSA-N	1	0	370.497	1.234	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1NC(=O)c3ccccc31)C2	ZINC001112549108	931513638	/nfs/dbraw/zinc/51/36/38/931513638.db2.gz	IPVOLPDKSDCXHV-XERREHJYSA-N	1	0	351.450	1.713	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc3ncccn3n1)C2	ZINC001112549332	931514276	/nfs/dbraw/zinc/51/42/76/931514276.db2.gz	RSEZWFQUPGGBMD-JXFKEZNVSA-N	1	0	367.453	1.211	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCc2ccnc(C#N)c2)CC1=O	ZINC000785651878	931526076	/nfs/dbraw/zinc/52/60/76/931526076.db2.gz	HIPDDSOSXNBCPK-NVXWUHKLSA-N	1	0	356.426	1.329	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)CCCOC)C2	ZINC001112558951	931582555	/nfs/dbraw/zinc/58/25/55/931582555.db2.gz	FAKKGFCBLIIVFH-ZWOKBUDYSA-N	1	0	363.502	1.017	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1[nH]c(=O)[nH]c(=O)c1OC)C2	ZINC001112562854	931596359	/nfs/dbraw/zinc/59/63/59/931596359.db2.gz	RAZMZTWDHQNZBJ-SGTLLEGYSA-N	1	0	362.430	1.304	20	30		FDEDRO
COc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)cc1	ZINC001112568450	931630115	/nfs/dbraw/zinc/63/01/15/931630115.db2.gz	RNLCYZPOZLQCGX-JXFKEZNVSA-N	1	0	370.453	1.167	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc(C(=O)NC)n1)C2	ZINC001112571545	931655580	/nfs/dbraw/zinc/65/55/80/931655580.db2.gz	BKAPPJNEOJUUAM-YWZLYKJASA-N	1	0	354.454	1.296	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC(=O)N1CCOCC1)C2	ZINC001112574664	931685357	/nfs/dbraw/zinc/68/53/57/931685357.db2.gz	UCGFXNHIXJIOAQ-PXNSSMCTSA-N	1	0	363.502	1.420	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)C2	ZINC001112577047	931690137	/nfs/dbraw/zinc/69/01/37/931690137.db2.gz	WZBOGJKXGIJAMU-WWMYMODYSA-N	1	0	357.498	1.629	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccnc(C)n1)C2	ZINC001112580563	931726750	/nfs/dbraw/zinc/72/67/50/931726750.db2.gz	SZHZIPWKJFXXFP-IIMJZQEZSA-N	1	0	371.485	1.308	20	30		FDEDRO
CC(C)n1cccc1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1	ZINC001112579211	931741253	/nfs/dbraw/zinc/74/12/53/931741253.db2.gz	BYIIYHGKKUIFMK-JXFKEZNVSA-N	1	0	371.485	1.541	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C(=O)c1ccsc1)C2	ZINC001112582495	931749351	/nfs/dbraw/zinc/74/93/51/931749351.db2.gz	ZJTHDNPHZJJJKU-LPHOPBHVSA-N	1	0	359.495	1.672	20	30		FDEDRO
CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC#Cc1ccccc1)C2	ZINC001112583381	931754383	/nfs/dbraw/zinc/75/43/83/931754383.db2.gz	QISJLYIQFNIWAZ-UGKGYDQZSA-N	1	0	367.493	1.783	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COc1cccc(C(N)=O)c1)C2	ZINC001112584919	931787155	/nfs/dbraw/zinc/78/71/55/931787155.db2.gz	PKWWYHXOTXCMQZ-UWJYYQICSA-N	1	0	369.465	1.406	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)CS(C)(=O)=O)C2	ZINC001112588636	931798344	/nfs/dbraw/zinc/79/83/44/931798344.db2.gz	LTNAEKUXLZAZAW-YJBOKZPZSA-N	1	0	356.532	1.852	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC2CC2)C1	ZINC001112588823	931798476	/nfs/dbraw/zinc/79/84/76/931798476.db2.gz	XNWZYUVJXGZDMV-PXNSSMCTSA-N	1	0	363.502	1.324	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(C)C(C)C)C1	ZINC001112588993	931801130	/nfs/dbraw/zinc/80/11/30/931801130.db2.gz	FZPYYDJXXQYQFT-ZWOKBUDYSA-N	1	0	365.518	1.663	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c(C)cccc1F)C2	ZINC001112591718	931822974	/nfs/dbraw/zinc/82/29/74/931822974.db2.gz	BANNNNIZXOOZSH-KKSFZXQISA-N	1	0	371.456	1.715	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1	ZINC000787206280	932224278	/nfs/dbraw/zinc/22/42/78/932224278.db2.gz	QMUWQZPAUZJREG-ZIAGYGMSSA-N	1	0	350.463	1.784	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCCO1	ZINC000787907961	932460611	/nfs/dbraw/zinc/46/06/11/932460611.db2.gz	BQUXPGPLELPSIL-BDXSIMOUSA-N	1	0	363.502	1.158	20	30		FDEDRO
COc1cc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)c(O)cc1C	ZINC000788046426	932531155	/nfs/dbraw/zinc/53/11/55/932531155.db2.gz	ZNGPDOPWLHGWMT-UHFFFAOYSA-N	1	0	355.442	1.945	20	30		FDEDRO
Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+](C)[C@H](C)CN1CCOCC1	ZINC000788375613	932680429	/nfs/dbraw/zinc/68/04/29/932680429.db2.gz	AASPJVMGGUCPPE-OAHLLOKOSA-N	1	0	354.458	1.735	20	30		FDEDRO
C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)C1CN(C(=O)OC(C)(C)C)C1	ZINC000788643588	932754463	/nfs/dbraw/zinc/75/44/63/932754463.db2.gz	KQQBEMBQCYUXNV-IUDBQGPFSA-N	1	0	364.446	1.358	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H](C)C[NH+]2CCCC2)n1	ZINC000788882383	932849681	/nfs/dbraw/zinc/84/96/81/932849681.db2.gz	DASVYDFNVMZDHZ-QGZVFWFLSA-N	1	0	361.490	1.406	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)n1	ZINC000789029642	932918947	/nfs/dbraw/zinc/91/89/47/932918947.db2.gz	AYQACULLRVKPOZ-KRWDZBQOSA-N	1	0	359.474	1.159	20	30		FDEDRO
C(=[NH+]NCCc1ccccn1)c1c(N2CCOCC2)nc2ccccn21	ZINC000789106169	932937605	/nfs/dbraw/zinc/93/76/05/932937605.db2.gz	ZRZMEDFZXIFPAQ-UHFFFAOYSA-N	1	0	350.426	1.732	20	30		FDEDRO
N#CCCN(Cc1cccnc1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O	ZINC000790361283	933489081	/nfs/dbraw/zinc/48/90/81/933489081.db2.gz	VFZNBEYILVVICD-LJQANCHMSA-N	1	0	355.442	1.671	20	30		FDEDRO
COC(=O)C[C@]1([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCCOC1	ZINC000790339748	933495312	/nfs/dbraw/zinc/49/53/12/933495312.db2.gz	OOAKMFXJUOTPBI-YLJYHZDGSA-N	1	0	371.437	1.756	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn(CCOC)nn2)C1	ZINC001086587320	933549286	/nfs/dbraw/zinc/54/92/86/933549286.db2.gz	OSOGLCKQORSQHT-ZWKOTPCHSA-N	1	0	369.469	1.698	20	30		FDEDRO
C=CCCCCC[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC001113343433	933588090	/nfs/dbraw/zinc/58/80/90/933588090.db2.gz	KWASHKIAKIPKLP-DLBZAZTESA-N	1	0	351.491	1.513	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)C1	ZINC001086590326	933654926	/nfs/dbraw/zinc/65/49/26/933654926.db2.gz	XHIVGEDGWQJOEM-DLBZAZTESA-N	1	0	368.485	1.741	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1	ZINC001086595236	933884175	/nfs/dbraw/zinc/88/41/75/933884175.db2.gz	RTPDGBMFNVPTJS-GSEOLPGOSA-N	1	0	355.482	1.313	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CCOC(=O)C/N=C1/NS(=O)(=O)c2ccccc21	ZINC000791259674	933933559	/nfs/dbraw/zinc/93/35/59/933933559.db2.gz	MJDUPACZHWBKKO-CYBMUJFWSA-N	1	0	365.455	1.143	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@H]1O	ZINC001090457638	934172566	/nfs/dbraw/zinc/17/25/66/934172566.db2.gz	WOBVOQGNOAPGLP-GHMZBOCLSA-N	1	0	371.894	1.066	20	30		FDEDRO
CCOC(=O)CN(CC[NH3+])c1nc(C)c(Br)c(C)c1C#N	ZINC001170994734	945112855	/nfs/dbraw/zinc/11/28/55/945112855.db2.gz	ZEWVBNNQXQCAAU-UHFFFAOYSA-N	1	0	355.236	1.661	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCc1cc(C#N)ccc1F	ZINC000793901637	938334254	/nfs/dbraw/zinc/33/42/54/938334254.db2.gz	NRNDGNQBLKNBBT-KBPBESRZSA-N	1	0	360.433	1.550	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1	ZINC000793915995	938338153	/nfs/dbraw/zinc/33/81/53/938338153.db2.gz	UFXWLFXQKBJUEM-RYUDHWBXSA-N	1	0	374.323	1.884	20	30		FDEDRO
C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCc3n[nH]nc3C2)C1	ZINC001086619120	938354041	/nfs/dbraw/zinc/35/40/41/938354041.db2.gz	ABYNEUYGEZCGFE-TXPKVOOTSA-N	1	0	351.454	1.680	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CCc2ccc(OC)cc2)[C@@H](n2ccnn2)C1	ZINC001129417575	938409429	/nfs/dbraw/zinc/40/94/29/938409429.db2.gz	GRVJYULESBVRBP-MOPGFXCFSA-N	1	0	367.453	1.284	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)COc2cccc(CC)c2)[C@@H](n2ccnn2)C1	ZINC001129421951	938412083	/nfs/dbraw/zinc/41/20/83/938412083.db2.gz	HUYLZEUNLNEMRD-MOPGFXCFSA-N	1	0	369.469	1.837	20	30		FDEDRO
C=C[C@H](C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1)c1ccccc1	ZINC001129449351	938420023	/nfs/dbraw/zinc/42/00/23/938420023.db2.gz	MBHNUYJRFHSBGV-KSZLIROESA-N	1	0	357.433	1.949	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCCC2CCC2)C[C@@H]1n1ccnn1	ZINC001129480761	938433797	/nfs/dbraw/zinc/43/37/97/938433797.db2.gz	CKTODLLQZXPQON-NXHRZFHOSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)/C=C/c2ccco2)C[C@@H]1n1ccnn1	ZINC001129533950	938447778	/nfs/dbraw/zinc/44/77/78/938447778.db2.gz	WRTOTEKXIAIHHY-WBXGCANISA-N	1	0	357.414	1.129	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cc(C)on2)C[C@@H]1n1ccnn1	ZINC001129547859	938451461	/nfs/dbraw/zinc/45/14/61/938451461.db2.gz	PYAANSAZQGFDCT-SJORKVTESA-N	1	0	358.446	1.976	20	30		FDEDRO
N#CCSCC(=O)N1C[C@@H]([NH2+]CC2CCCCC2)[C@@H](n2ccnn2)C1	ZINC001129603480	938462556	/nfs/dbraw/zinc/46/25/56/938462556.db2.gz	AABSYSIEKUOYLB-CVEARBPZSA-N	1	0	362.503	1.457	20	30		FDEDRO
Cc1cccc(C[NH2+][C@@H]2CN(C(=O)CSCC#N)C[C@@H]2n2ccnn2)c1	ZINC001129603755	938462881	/nfs/dbraw/zinc/46/28/81/938462881.db2.gz	IXDYNXANMMQJJH-SJORKVTESA-N	1	0	370.482	1.385	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)c2ccnn2C)C[C@@H]1n1ccnn1	ZINC001129655570	938482801	/nfs/dbraw/zinc/48/28/01/938482801.db2.gz	ACWPDFFAKCPWSG-WBVHZDCISA-N	1	0	359.478	1.637	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnn(CC)c2)C[C@@H]1n1ccnn1	ZINC001129699110	938488154	/nfs/dbraw/zinc/48/81/54/938488154.db2.gz	HYYQXSRHUUVLRW-UAGQMJEPSA-N	1	0	357.462	1.505	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]CC/C=C/c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129677992	938491165	/nfs/dbraw/zinc/49/11/65/938491165.db2.gz	RHDSDPMLHLYIJM-CQXLNWLRSA-N	1	0	364.453	1.883	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ncccc2O)C[C@@H]1n1ccnn1	ZINC001129761895	938503049	/nfs/dbraw/zinc/50/30/49/938503049.db2.gz	BZBNXPXCWANFNC-KFWWJZLASA-N	1	0	356.430	1.389	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cc2ccnn2C)C[C@@H]1n1ccnn1	ZINC001129791408	938508077	/nfs/dbraw/zinc/50/80/77/938508077.db2.gz	CQIGOAGALKOPMZ-MSOLQXFVSA-N	1	0	371.489	1.342	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H]([NH2+]CCC2CCCC2)[C@@H](n2ccnn2)C1	ZINC001129795725	938509232	/nfs/dbraw/zinc/50/92/32/938509232.db2.gz	NJEJOZUUENLMEZ-AOIWGVFYSA-N	1	0	361.490	1.527	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1=O	ZINC001129779540	938514346	/nfs/dbraw/zinc/51/43/46/938514346.db2.gz	IZQHUGSLWQLRDC-QRVBRYPASA-N	1	0	371.481	1.647	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(C)cc2)[C@@H](n2ccnn2)C1	ZINC001129788480	938516299	/nfs/dbraw/zinc/51/62/99/938516299.db2.gz	JXOXGOUZVJYILC-HBFSDRIKSA-N	1	0	369.469	1.455	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1C[C@@H]([NH2+]CCc2cccs2)[C@@H](n2ccnn2)C1	ZINC001129816923	938520956	/nfs/dbraw/zinc/52/09/56/938520956.db2.gz	NTMZIESYRQIGGS-SJORKVTESA-N	1	0	371.510	1.973	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cccc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129829290	938523663	/nfs/dbraw/zinc/52/36/63/938523663.db2.gz	FHEZSVMBXYXWGT-UHOSZYNNSA-N	1	0	367.453	1.167	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2OCC[C@H]2C(C)C)C[C@@H]1n1ccnn1	ZINC001129855989	938529026	/nfs/dbraw/zinc/52/90/26/938529026.db2.gz	UIBCPOOVBSVSCG-MHORFTMASA-N	1	0	361.490	1.647	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)c(OC)c(C)c2)C[C@@H]1n1ccnn1	ZINC001129857871	938529852	/nfs/dbraw/zinc/52/98/52/938529852.db2.gz	IWEPUCMUTXGLMK-MSOLQXFVSA-N	1	0	367.453	1.582	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC(=O)N(C)C2)C1	ZINC001086625531	938530427	/nfs/dbraw/zinc/53/04/27/938530427.db2.gz	HNNIZQWXSCPYRV-CEXWTWQISA-N	1	0	353.466	1.462	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2Cc3ccccc3O2)C[C@@H]1n1ccnn1	ZINC001129863338	938531733	/nfs/dbraw/zinc/53/17/33/938531733.db2.gz	CGMGYFFMSUNRJN-KSZLIROESA-N	1	0	365.437	1.037	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2oc(CC3CC3)nc2C)C[C@@H]1n1ccnn1	ZINC001129864404	938532344	/nfs/dbraw/zinc/53/23/44/938532344.db2.gz	YMOAGQJBJWDLIZ-CVEARBPZSA-N	1	0	370.457	1.758	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H]([NH2+][C@@H](C)c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129838039	938534964	/nfs/dbraw/zinc/53/49/64/938534964.db2.gz	POGAKCUTCYUJBZ-UHOSZYNNSA-N	1	0	367.453	1.421	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCCCCCC)C[C@@H]1n1ccnn1	ZINC001129838138	938535318	/nfs/dbraw/zinc/53/53/18/938535318.db2.gz	RYBAOHUVVRQOGE-KSZLIROESA-N	1	0	361.490	1.628	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H]([NH2+]C[C@@H](O)c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129879072	938536546	/nfs/dbraw/zinc/53/65/46/938536546.db2.gz	QGZXTBLHRQYHDJ-CEXWTWQISA-N	1	0	369.469	1.710	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)cc2F)C[C@@H]1n1ccnn1	ZINC001129892433	938543624	/nfs/dbraw/zinc/54/36/24/938543624.db2.gz	XCVVLSCENIXCLS-MSOLQXFVSA-N	1	0	370.432	1.162	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H]([NH2+]CCn2cccn2)[C@@H](n2ccnn2)C1	ZINC001129867560	938544246	/nfs/dbraw/zinc/54/42/46/938544246.db2.gz	UBCZJVZICCFAOK-MSOLQXFVSA-N	1	0	369.473	1.285	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CC=CCC2)C[C@@H]1n1ccnn1	ZINC001129871156	938544756	/nfs/dbraw/zinc/54/47/56/938544756.db2.gz	DYPMPNYANOSVAL-ZIFCJYIRSA-N	1	0	359.474	1.569	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2c(C)cccc2C)C[C@@H]1n1ccnn1	ZINC001129874401	938545684	/nfs/dbraw/zinc/54/56/84/938545684.db2.gz	CQDFRIGBULQWNW-MOPGFXCFSA-N	1	0	351.454	1.502	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2ccn(C)n2)C[C@@H]1n1ccnn1	ZINC001129876104	938546518	/nfs/dbraw/zinc/54/65/18/938546518.db2.gz	BEKUXYZTINBPTD-JQHSSLGASA-N	1	0	371.489	1.341	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCOC2)[C@@H](n2ccnn2)C1	ZINC001129876773	938547220	/nfs/dbraw/zinc/54/72/20/938547220.db2.gz	ZDUTWLGBOSKKJI-BBWFWOEESA-N	1	0	361.490	1.649	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCCC3)C[C@@H]1n1ccnn1	ZINC001129904702	938548063	/nfs/dbraw/zinc/54/80/63/938548063.db2.gz	KBGANOTZLLQPBR-MSOLQXFVSA-N	1	0	369.473	1.432	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2ccncc2)C[C@@H]1n1ccnn1	ZINC001129910502	938550239	/nfs/dbraw/zinc/55/02/39/938550239.db2.gz	VZNWAKRYFQQLDB-NXHRZFHOSA-N	1	0	352.442	1.232	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCn3nccc32)C[C@@H]1n1ccnn1	ZINC001129914730	938552627	/nfs/dbraw/zinc/55/26/27/938552627.db2.gz	FEYXQLWIEFJJFR-NUJGCVRESA-N	1	0	369.473	1.360	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CCC(C)(F)F)C[C@@H]1n1ccnn1	ZINC001129914998	938552792	/nfs/dbraw/zinc/55/27/92/938552792.db2.gz	RVWNQFBXOKEZPJ-KGLIPLIRSA-N	1	0	357.405	1.258	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ncoc2C(F)(F)F)C[C@@H]1n1ccnn1	ZINC001129917587	938554420	/nfs/dbraw/zinc/55/44/20/938554420.db2.gz	YAFOGSLXRRGRFZ-MNOVXSKESA-N	1	0	370.335	1.516	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccn3c2CCCC3)C[C@@H]1n1ccnn1	ZINC001129895851	938557082	/nfs/dbraw/zinc/55/70/82/938557082.db2.gz	KHCBDECVOKUANS-AEFFLSMTSA-N	1	0	352.442	1.095	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2nccc3ccsc32)C[C@@H]1n1ccnn1	ZINC001129897671	938558198	/nfs/dbraw/zinc/55/81/98/938558198.db2.gz	GREFGNYBHOFNSS-CABCVRRESA-N	1	0	366.450	1.566	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnc3[nH]ccc3c2)C[C@@H]1n1ccnn1	ZINC001129902353	938561321	/nfs/dbraw/zinc/56/13/21/938561321.db2.gz	GUYKFYKMVUBUAW-SJORKVTESA-N	1	0	365.441	1.728	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c(C)cncc2C)C[C@@H]1n1ccnn1	ZINC001129936897	938564531	/nfs/dbraw/zinc/56/45/31/938564531.db2.gz	WEDALHCESHQXOW-SJORKVTESA-N	1	0	354.458	1.911	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2cnn(C)c2)C[C@@H]1n1ccnn1	ZINC001129941329	938566636	/nfs/dbraw/zinc/56/66/36/938566636.db2.gz	UXOLQGKIGBFWQI-NXHRZFHOSA-N	1	0	371.489	1.513	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccncc2OC(C)C)C[C@@H]1n1ccnn1	ZINC001129941277	938566672	/nfs/dbraw/zinc/56/66/72/938566672.db2.gz	RTLNJIKXEDICOV-SJORKVTESA-N	1	0	368.441	1.139	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccccc2COC)C[C@@H]1n1ccnn1	ZINC001129921083	938568279	/nfs/dbraw/zinc/56/82/79/938568279.db2.gz	OQPHUSDXJVBNMF-MSOLQXFVSA-N	1	0	355.442	1.656	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3c(cn2)CCCC3)C[C@@H]1n1ccnn1	ZINC001129927041	938571387	/nfs/dbraw/zinc/57/13/87/938571387.db2.gz	LDPMCWVBBNODNC-MOPGFXCFSA-N	1	0	364.453	1.231	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2cc3ccccc3o2)C[C@@H]1n1ccnn1	ZINC001129948836	938573631	/nfs/dbraw/zinc/57/36/31/938573631.db2.gz	BEYVTLWUBOZEMA-MSOLQXFVSA-N	1	0	363.421	1.632	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001129952053	938575335	/nfs/dbraw/zinc/57/53/35/938575335.db2.gz	GFESPUDHAATYLB-MOPGFXCFSA-N	1	0	351.454	1.584	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H]([NH2+]CCn2cccn2)[C@@H](n2ccnn2)C1	ZINC001129963857	938579247	/nfs/dbraw/zinc/57/92/47/938579247.db2.gz	JINCKIQNFVRAHY-MSOLQXFVSA-N	1	0	369.473	1.100	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](CCC)c2ccccn2)C[C@@H]1n1ccnn1	ZINC001129983251	938598131	/nfs/dbraw/zinc/59/81/31/938598131.db2.gz	UHIWADCNCUVVPS-NXHRZFHOSA-N	1	0	352.442	1.232	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2cc(F)ccc2F)C[C@@H]1n1ccnn1	ZINC001129983312	938598422	/nfs/dbraw/zinc/59/84/22/938598422.db2.gz	WSGLIYNTXXJBAA-SJORKVTESA-N	1	0	359.380	1.164	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H]([NH2+]C[C@@H](CC)OC)[C@@H](n3ccnn3)C2)CC1	ZINC001129994466	938603163	/nfs/dbraw/zinc/60/31/63/938603163.db2.gz	PPFNUXNTVSKBMN-KURKYZTESA-N	1	0	361.490	1.791	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2cc(C)ccc2C)C[C@@H]1n1ccnn1	ZINC001129994464	938603379	/nfs/dbraw/zinc/60/33/79/938603379.db2.gz	PLAFQBZFEUJQJW-MOPGFXCFSA-N	1	0	351.454	1.502	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cccnc2C)C[C@@H]1n1ccnn1	ZINC001129988175	938611225	/nfs/dbraw/zinc/61/12/25/938611225.db2.gz	KBPUUTZJTLDLLZ-OLMNPRSZSA-N	1	0	354.458	1.992	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)NC1CC[NH+](CC(=C)C)CC1)c1ccncc1	ZINC000804895757	938611563	/nfs/dbraw/zinc/61/15/63/938611563.db2.gz	OBEDAOHBERXYJO-SFHVURJKSA-N	1	0	356.470	1.972	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@@H]1n1ccnn1	ZINC001130014188	938615403	/nfs/dbraw/zinc/61/54/03/938615403.db2.gz	DPYRSFYZEQYPJM-QQXKLLMISA-N	1	0	373.501	1.934	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C)OCc2ccncc2)C[C@@H]1n1ccnn1	ZINC001130014728	938616206	/nfs/dbraw/zinc/61/62/06/938616206.db2.gz	BSDUMOSCLFGFOE-JQHSSLGASA-N	1	0	370.457	1.196	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(F)ccc2Cl)C[C@@H]1n1ccnn1	ZINC001130017808	938618290	/nfs/dbraw/zinc/61/82/90/938618290.db2.gz	ZBUUHQMUORWXSX-CVEARBPZSA-N	1	0	361.808	1.749	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc(OCC)c2)C[C@@H]1n1ccnn1	ZINC001130020668	938619547	/nfs/dbraw/zinc/61/95/47/938619547.db2.gz	QWQIVXLWUIHQPL-MSOLQXFVSA-N	1	0	353.426	1.355	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCCc2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001130020746	938619922	/nfs/dbraw/zinc/61/99/22/938619922.db2.gz	VMIDMLSKVGOEMZ-MOPGFXCFSA-N	1	0	369.444	1.805	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCCCC)[C@@H](n2ccnn2)C1	ZINC001130009657	938626402	/nfs/dbraw/zinc/62/64/02/938626402.db2.gz	ZVCGYRFOVFPSDD-BDXSIMOUSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCC(C)(C)C)[C@@H](n2ccnn2)C1	ZINC001130009630	938626429	/nfs/dbraw/zinc/62/64/29/938626429.db2.gz	YMDHIOJXLUQZET-NCOADZHNSA-N	1	0	361.490	1.647	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)COc2cccnc2)C[C@@H]1n1ccnn1	ZINC001130040637	938627056	/nfs/dbraw/zinc/62/70/56/938627056.db2.gz	DTLZWEASOMPQCN-NXHRZFHOSA-N	1	0	370.457	1.448	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(CCCCC)n[nH]2)C[C@@H]1n1ccnn1	ZINC001130040952	938627403	/nfs/dbraw/zinc/62/74/03/938627403.db2.gz	VJRGMSNHPGBNAV-SJORKVTESA-N	1	0	357.462	1.575	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccnc(C3CC3)n2)C[C@@H]1n1ccnn1	ZINC001130026257	938629092	/nfs/dbraw/zinc/62/90/92/938629092.db2.gz	ISXFHXFEOYDJER-CVEARBPZSA-N	1	0	353.430	1.177	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C(C)C)[nH]c2=O)C[C@@H]1n1ccnn1	ZINC001130027885	938629857	/nfs/dbraw/zinc/62/98/57/938629857.db2.gz	AJZMIKILWMBUMZ-SJORKVTESA-N	1	0	370.457	1.734	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2csc(C3CC3)n2)C[C@@H]1n1ccnn1	ZINC001130028516	938630739	/nfs/dbraw/zinc/63/07/39/938630739.db2.gz	URACGAHQRGUNAI-CVEARBPZSA-N	1	0	370.482	1.220	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2coc(C3CC3)n2)C[C@@H]1n1ccnn1	ZINC001130032781	938633679	/nfs/dbraw/zinc/63/36/79/938633679.db2.gz	MKSUWERCDXJADT-ZBFHGGJFSA-N	1	0	356.430	1.765	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]cn2)C[C@@H]1n1ccnn1	ZINC001130034423	938634603	/nfs/dbraw/zinc/63/46/03/938634603.db2.gz	OWENCQHXOHDWTI-OIISXLGYSA-N	1	0	357.462	1.188	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C[C@@H]1n1ccnn1	ZINC001130034628	938634908	/nfs/dbraw/zinc/63/49/08/938634908.db2.gz	VAYUXHADBJFPNH-VQHPVUNQSA-N	1	0	369.494	1.817	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@@H]1n1ccnn1	ZINC001130084080	938665873	/nfs/dbraw/zinc/66/58/73/938665873.db2.gz	YXITYNBCWNRESK-CABCVRRESA-N	1	0	357.462	1.287	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC23CCCC3)C[C@@H]1n1ccnn1	ZINC001130075169	938669551	/nfs/dbraw/zinc/66/95/51/938669551.db2.gz	POJQDSALOWOAGM-BBWFWOEESA-N	1	0	359.474	1.403	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ncoc2C2CC2)C[C@@H]1n1ccnn1	ZINC001130075317	938669575	/nfs/dbraw/zinc/66/95/75/938669575.db2.gz	RMXYPYWBUILLNZ-CABCVRRESA-N	1	0	356.430	1.765	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C2CCCC2)C[C@@H]1n1ccnn1	ZINC001130079479	938672519	/nfs/dbraw/zinc/67/25/19/938672519.db2.gz	MHSAQJCCIVMZQT-JQHSSLGASA-N	1	0	361.490	1.649	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001130091163	938676323	/nfs/dbraw/zinc/67/63/23/938676323.db2.gz	DAPZPIRFAPOMGC-MOPGFXCFSA-N	1	0	365.481	1.929	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(Cl)no2)C[C@@H]1n1ccnn1	ZINC001130096296	938680575	/nfs/dbraw/zinc/68/05/75/938680575.db2.gz	CXCAEXLRSUPZTR-NEPJUHHUSA-N	1	0	350.810	1.541	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC3(CCC3)CO2)C[C@@H]1n1ccnn1	ZINC001130096531	938681084	/nfs/dbraw/zinc/68/10/84/938681084.db2.gz	JZMJZLYQSMMCDP-KURKYZTESA-N	1	0	371.485	1.382	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3ccc(Cl)cc32)C[C@@H]1n1ccnn1	ZINC001130110030	938689010	/nfs/dbraw/zinc/68/90/10/938689010.db2.gz	QNCXFNCYAQTXOK-KSZLIROESA-N	1	0	369.856	1.636	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001130112476	938691931	/nfs/dbraw/zinc/69/19/31/938691931.db2.gz	BLWMJASVRQJPJR-QRQLOZEOSA-N	1	0	367.453	1.419	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001130112475	938691991	/nfs/dbraw/zinc/69/19/91/938691991.db2.gz	BKFLFLFQQWNXKN-UHOSZYNNSA-N	1	0	367.453	1.419	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@@H]1n1ccnn1	ZINC001130112725	938692626	/nfs/dbraw/zinc/69/26/26/938692626.db2.gz	OCSCFWFHJAFZKK-SJORKVTESA-N	1	0	370.457	1.780	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(F)cc2Cl)C[C@@H]1n1ccnn1	ZINC001130112743	938692702	/nfs/dbraw/zinc/69/27/02/938692702.db2.gz	PBUJVPKOCPAROF-CVEARBPZSA-N	1	0	361.808	1.749	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(-c3ccoc3)n[nH]2)C[C@@H]1n1ccnn1	ZINC001130125405	938696320	/nfs/dbraw/zinc/69/63/20/938696320.db2.gz	MBHZDJDORVCGBI-SJORKVTESA-N	1	0	367.413	1.493	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cncnc2C(C)C)C[C@@H]1n1ccnn1	ZINC001130129396	938698578	/nfs/dbraw/zinc/69/85/78/938698578.db2.gz	GQTBEQSGLMXIHH-CVEARBPZSA-N	1	0	355.446	1.423	20	30		FDEDRO
O=C(CC#Cc1ccccc1)N1C[C@@H]([NH2+]CCC2CC2)[C@@H](n2ccnn2)C1	ZINC001130134160	938708934	/nfs/dbraw/zinc/70/89/34/938708934.db2.gz	VQEPCQVMLMJHFW-UXHICEINSA-N	1	0	363.465	1.862	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]([NH2+]Cc2ccsc2)[C@@H](n2ccnn2)C1	ZINC001130151366	938716004	/nfs/dbraw/zinc/71/60/04/938716004.db2.gz	OCEHWFRBVUBCCR-CVEARBPZSA-N	1	0	361.471	1.474	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(C(F)(F)F)CCCC2)C[C@@H]1n1ccnn1	ZINC001130155538	938718575	/nfs/dbraw/zinc/71/85/75/938718575.db2.gz	MOFMKBSLJCDABL-KGLIPLIRSA-N	1	0	369.391	1.766	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCSCC)[nH]1	ZINC001130187891	938734484	/nfs/dbraw/zinc/73/44/84/938734484.db2.gz	PBMGBKTUYMOJQF-KBPBESRZSA-N	1	0	367.519	1.602	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CSC(C)C)[nH]1	ZINC001130190542	938735252	/nfs/dbraw/zinc/73/52/52/938735252.db2.gz	FDRRQEVUXXEULZ-KBPBESRZSA-N	1	0	367.519	1.601	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)CSC)[nH]1	ZINC001130193071	938737480	/nfs/dbraw/zinc/73/74/80/938737480.db2.gz	HGYPGXOBZYCDTP-AVGNSLFASA-N	1	0	353.492	1.068	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCOCC)[nH]1	ZINC001130193195	938737717	/nfs/dbraw/zinc/73/77/17/938737717.db2.gz	MBYTUUQLCQSTCF-GJZGRUSLSA-N	1	0	365.478	1.276	20	30		FDEDRO
C#CCCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC#CC)n[nH]1	ZINC001130205463	938745933	/nfs/dbraw/zinc/74/59/33/938745933.db2.gz	ZUBFJZPADOPZHK-HOTGVXAUSA-N	1	0	357.458	1.100	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)CCCC)[nH]1	ZINC001130207746	938747001	/nfs/dbraw/zinc/74/70/01/938747001.db2.gz	NVGVSVACOZBLRD-PMPSAXMXSA-N	1	0	361.490	1.733	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)CCCC)n1	ZINC001130207700	938747128	/nfs/dbraw/zinc/74/71/28/938747128.db2.gz	MNNKICBHTNIQHJ-PMPSAXMXSA-N	1	0	361.490	1.733	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)n2cccc2)[nH]1	ZINC001130200687	938754567	/nfs/dbraw/zinc/75/45/67/938754567.db2.gz	RXTUMWYLAJEGRS-KKUMJFAQSA-N	1	0	358.446	1.132	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCCOc2ccc(S(C)(=O)=O)cc2)CC1	ZINC000805453202	938755015	/nfs/dbraw/zinc/75/50/15/938755015.db2.gz	ZWUYUBMLSFILTB-UHFFFAOYSA-N	1	0	365.451	1.357	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)/C=C/C(C)(C)C)n1	ZINC001130202832	938755509	/nfs/dbraw/zinc/75/55/09/938755509.db2.gz	LGWMTXMFXCOVHE-LADOHOGBSA-N	1	0	359.474	1.509	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC23CC3)[nH]1	ZINC001130239895	938756105	/nfs/dbraw/zinc/75/61/05/938756105.db2.gz	BUHWACFOZNIQPX-ZNMIVQPWSA-N	1	0	359.474	1.649	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2ccccc2)n1	ZINC001130220735	938756244	/nfs/dbraw/zinc/75/62/44/938756244.db2.gz	KDOHJUZYCYMRTL-IRXDYDNUSA-N	1	0	367.453	1.149	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C)c(C)n2)[nH]1	ZINC001130222982	938757105	/nfs/dbraw/zinc/75/71/05/938757105.db2.gz	KBMRLAIGNLKUQK-HOCLYGCPSA-N	1	0	370.457	1.395	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(CCF)CC2)[nH]1	ZINC001130225211	938759533	/nfs/dbraw/zinc/75/95/33/938759533.db2.gz	XRFSSRQFJHQYMM-STQMWFEESA-N	1	0	351.426	1.209	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)[nH]1	ZINC001130225156	938759683	/nfs/dbraw/zinc/75/96/83/938759683.db2.gz	VQBUKQPJCJEPKC-MRNSRZSKSA-N	1	0	371.485	1.343	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)CCC)[nH]1	ZINC001130240081	938760246	/nfs/dbraw/zinc/76/02/46/938760246.db2.gz	HQVVHUXELDCPQG-GJZGRUSLSA-N	1	0	361.490	1.733	20	30		FDEDRO
CC#CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(C)C)[nH]1	ZINC001130230555	938764303	/nfs/dbraw/zinc/76/43/03/938764303.db2.gz	ZVZSLJJPYKGAPE-HOTGVXAUSA-N	1	0	361.490	1.733	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccn(C)c2C)[nH]1	ZINC001130232179	938764750	/nfs/dbraw/zinc/76/47/50/938764750.db2.gz	BPLYJICVFPRKSO-GJZGRUSLSA-N	1	0	358.446	1.030	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@]23C[C@@H]2CCCC3)[nH]1	ZINC001130240269	938767200	/nfs/dbraw/zinc/76/72/00/938767200.db2.gz	LFWQSYOVDFAGCS-XLPNERPQSA-N	1	0	359.474	1.649	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC23CCC3)[nH]1	ZINC001130240471	938768558	/nfs/dbraw/zinc/76/85/58/938768558.db2.gz	QHWDLDPVJXWODW-ZNMIVQPWSA-N	1	0	359.474	1.649	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)CC(C)C)[nH]1	ZINC001130244465	938770615	/nfs/dbraw/zinc/77/06/15/938770615.db2.gz	IWDXNIFLYADCSX-JYJNAYRXSA-N	1	0	361.490	1.589	20	30		FDEDRO
C=CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CSC)CC1	ZINC001130269259	938783967	/nfs/dbraw/zinc/78/39/67/938783967.db2.gz	HLDUJKMSUWCBOT-QAPCUYQASA-N	1	0	353.532	1.791	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@@H](CC)OC)CC1	ZINC001130276714	938787775	/nfs/dbraw/zinc/78/77/75/938787775.db2.gz	MCJLUVXPVDLRMB-HLIPFELVSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCC[C@@H](C)O)CC1	ZINC001130277009	938788274	/nfs/dbraw/zinc/78/82/74/938788274.db2.gz	YAHKKAUMGUAMJE-MDYRTPRTSA-N	1	0	365.518	1.589	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCC)CC1	ZINC001130278887	938789077	/nfs/dbraw/zinc/78/90/77/938789077.db2.gz	IUBHHJZGOYJZMZ-SUMDDJOVSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCOC)CC1	ZINC001130293277	938796697	/nfs/dbraw/zinc/79/66/97/938796697.db2.gz	QWZBLKQTSGKVTK-APWZRJJASA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2(COCC)CC2)CC1	ZINC001130293351	938796945	/nfs/dbraw/zinc/79/69/45/938796945.db2.gz	VKHOFFMDJCWUCB-AEFFLSMTSA-N	1	0	363.502	1.465	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)CC(F)F)CC1	ZINC001130293320	938797052	/nfs/dbraw/zinc/79/70/52/938797052.db2.gz	ULKXIZNSCODWRJ-JOQOYGCGSA-N	1	0	369.456	1.776	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](F)C(C)C)CC1	ZINC001130298766	938799061	/nfs/dbraw/zinc/79/90/61/938799061.db2.gz	FRGAAKPNUHVBPY-NXHRZFHOSA-N	1	0	351.466	1.479	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2ccccc2)CC1	ZINC001130305150	938803269	/nfs/dbraw/zinc/80/32/69/938803269.db2.gz	LHHVUMUMRRIKME-KNQAVFIVSA-N	1	0	367.493	1.728	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCCOC(C)C)CC1	ZINC001130310690	938807230	/nfs/dbraw/zinc/80/72/30/938807230.db2.gz	WEBJQVHIUFUAGY-XLIONFOSSA-N	1	0	363.502	1.300	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@@H+](C[C@@H](C)c2ccccc2)[C@@H](C)CO)CC1	ZINC000805820139	938832705	/nfs/dbraw/zinc/83/27/05/938832705.db2.gz	FZZHRVFAWRBDQF-MOPGFXCFSA-N	1	0	357.498	1.250	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)/C=C\c2ccco2)C[C@H]1c1cn(C)cn1	ZINC001130476144	938867464	/nfs/dbraw/zinc/86/74/64/938867464.db2.gz	ARWRPHSMVMHDBV-LOYZYROESA-N	1	0	370.453	1.813	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccoc2C)C[C@H]1c1cn(C)cn1	ZINC001130487588	938880193	/nfs/dbraw/zinc/88/01/93/938880193.db2.gz	GIAZISWSBROMIH-FUHWJXTLSA-N	1	0	358.442	1.722	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)/C=C\C(C)(C)C)C[C@H]1c1cn(C)cn1	ZINC001130542428	938899365	/nfs/dbraw/zinc/89/93/65/938899365.db2.gz	YZAQXOXUSBGRPY-LQJOWZLYSA-N	1	0	358.486	1.556	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#Cc2ccccc2)C1	ZINC001130531694	938900386	/nfs/dbraw/zinc/90/03/86/938900386.db2.gz	CEAMGEXDVQHVDU-IMFGXOCKSA-N	1	0	361.449	1.515	20	30		FDEDRO
CON=C(C(=O)N1CC([N@H+](C)Cc2ccccc2)C1)c1csc(N)n1	ZINC000822842833	945272016	/nfs/dbraw/zinc/27/20/16/945272016.db2.gz	AVVHCXFJFDRTFE-UHFFFAOYSA-N	1	0	359.455	1.419	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2ccn(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130599661	939905389	/nfs/dbraw/zinc/90/53/89/939905389.db2.gz	ZBWKBJIPICVNOG-PKOBYXMFSA-N	1	0	370.501	1.637	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3nccn32)C[C@H]1c1cn(C)cn1	ZINC001130608144	939905754	/nfs/dbraw/zinc/90/57/54/939905754.db2.gz	ZHGGXNDTMQIDKD-CGTJXYLNSA-N	1	0	366.469	1.102	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnc3[nH]ccc3c2)C[C@H]1c1cn(C)cn1	ZINC001130611844	939909710	/nfs/dbraw/zinc/90/97/10/939909710.db2.gz	IVZLVGNKFBWGQY-FUHWJXTLSA-N	1	0	362.437	1.469	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnc(C)cn2)C1	ZINC001130602634	939914092	/nfs/dbraw/zinc/91/40/92/939914092.db2.gz	LEIGQMGUAWVFEB-PKOBYXMFSA-N	1	0	368.485	1.959	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc(C)nc2OC)C[C@H]1c1cn(C)cn1	ZINC001130604801	939916151	/nfs/dbraw/zinc/91/61/51/939916151.db2.gz	OLXZVRXNEFXWPQ-DOTOQJQBSA-N	1	0	370.457	1.301	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130622038	939920534	/nfs/dbraw/zinc/92/05/34/939920534.db2.gz	MJZDCMQDOWZQNG-FUHWJXTLSA-N	1	0	369.469	1.283	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2onc3c2CCCC3)C[C@H]1c1cn(C)cn1	ZINC001130628347	939921243	/nfs/dbraw/zinc/92/12/43/939921243.db2.gz	MPUAAJCFDFCCDH-MAUKXSAKSA-N	1	0	367.453	1.508	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)cc2F)C[C@H]1c1cn(C)cn1	ZINC001130623491	939921650	/nfs/dbraw/zinc/92/16/50/939921650.db2.gz	ARPZAEVRCTVSJE-QFBILLFUSA-N	1	0	370.428	1.789	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc(COC)c2)C[C@H]1c1cn(C)cn1	ZINC001130624373	939922275	/nfs/dbraw/zinc/92/22/75/939922275.db2.gz	SIORINYCGKPAHE-AZUAARDMSA-N	1	0	366.465	1.788	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(F)cn2)C[C@H]1c1cn(C)cn1	ZINC001130619113	939929840	/nfs/dbraw/zinc/92/98/40/939929840.db2.gz	BTLFEOOPBMGWNB-FUHWJXTLSA-N	1	0	355.417	1.104	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCCCc2c[nH]nn2)C[C@H]1c1cn(C)cn1	ZINC001130635161	939937471	/nfs/dbraw/zinc/93/74/71/939937471.db2.gz	LOGZYZNEAQKOIX-FUHWJXTLSA-N	1	0	371.489	1.411	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)COCC(F)F)C[C@H]1c1cn(C)cn1	ZINC001130637836	939939973	/nfs/dbraw/zinc/93/99/73/939939973.db2.gz	OBMJTELYPTUEBN-DZGCQCFKSA-N	1	0	368.428	1.245	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(OC)cs2)C[C@H]1c1cn(C)cn1	ZINC001130637917	939940273	/nfs/dbraw/zinc/94/02/73/939940273.db2.gz	RUKAUYWZZAIFAC-GOEBONIOSA-N	1	0	358.467	1.711	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2nc(C)no2)C[C@H]1c1cn(C)cn1	ZINC001130637993	939940288	/nfs/dbraw/zinc/94/02/88/939940288.db2.gz	WSXVGHMZWQNJMD-GOEBONIOSA-N	1	0	358.446	1.204	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnc3n2CCCC3)C[C@H]1c1cn(C)cn1	ZINC001130654255	939947975	/nfs/dbraw/zinc/94/79/75/939947975.db2.gz	BXBDVAQKBCWLBN-DOTOQJQBSA-N	1	0	366.469	1.174	20	30		FDEDRO
NC(=O)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC#Cc1ccc(Cl)cc1)C2	ZINC001111678428	939948198	/nfs/dbraw/zinc/94/81/98/939948198.db2.gz	DLEDJWJUHNJGMD-KXBFYZLASA-N	1	0	359.857	1.538	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cncnc2)C[C@H]1c1cn(C)cn1	ZINC001130654936	939948653	/nfs/dbraw/zinc/94/86/53/939948653.db2.gz	WRPCVXJGLPKAHW-UWWQBHOKSA-N	1	0	354.458	1.474	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOCC(F)F)C1	ZINC001130642468	939949883	/nfs/dbraw/zinc/94/98/83/939949883.db2.gz	OTTAOAWNAOESMT-DZGCQCFKSA-N	1	0	370.444	1.798	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CC(C)=C(C)C)C[C@H]1c1cn(C)cn1	ZINC001130646765	939955097	/nfs/dbraw/zinc/95/50/97/939955097.db2.gz	JMFOYGZLCIHVKE-PKOBYXMFSA-N	1	0	358.486	1.700	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnn(C)c2)C1	ZINC001130656363	939960541	/nfs/dbraw/zinc/96/05/41/939960541.db2.gz	GYOCKRTVMNURHH-VDZJLULYSA-N	1	0	370.501	1.840	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCn2cncn2)C1	ZINC001130656923	939961232	/nfs/dbraw/zinc/96/12/32/939961232.db2.gz	STVXWSJFQKQSMN-SOLBZPMBSA-N	1	0	371.489	1.198	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@@H](C)C(=O)NC)C1	ZINC001130685218	939975065	/nfs/dbraw/zinc/97/50/65/939975065.db2.gz	JDUWWSQXDSGGAF-OFQRWUPVSA-N	1	0	361.490	1.041	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)[nH]c2C)C[C@H]1c1cn(C)cn1	ZINC001130685410	939975284	/nfs/dbraw/zinc/97/52/84/939975284.db2.gz	ROYPFCBRUFHGMD-PKOBYXMFSA-N	1	0	369.469	1.213	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130692437	939980916	/nfs/dbraw/zinc/98/09/16/939980916.db2.gz	KJUUGBHCGOXDNL-JKIFEVAISA-N	1	0	357.462	1.101	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn(C(C)C)c2)C[C@H]1c1cn(C)cn1	ZINC001130710391	939998365	/nfs/dbraw/zinc/99/83/65/939998365.db2.gz	UPAOWYZFVOBKIE-FUHWJXTLSA-N	1	0	354.458	1.419	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1c1cn(C)cn1	ZINC001130717626	939998660	/nfs/dbraw/zinc/99/86/60/939998660.db2.gz	NAQDKTRCQBVVMT-DOTOQJQBSA-N	1	0	367.925	1.789	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2(CCOC)CCC2)C[C@H]1c1cn(C)cn1	ZINC001130719206	940022074	/nfs/dbraw/zinc/02/20/74/940022074.db2.gz	CXJMHCKQGKCLGX-FUHWJXTLSA-N	1	0	358.486	1.534	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3ccccc32)C[C@H]1c1cn(C)cn1	ZINC001130721628	940025633	/nfs/dbraw/zinc/02/56/33/940025633.db2.gz	LMXSVUHMIWMRAE-MAUKXSAKSA-N	1	0	362.437	1.518	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccnc2OCC)C[C@H]1c1cn(C)cn1	ZINC001130721875	940026114	/nfs/dbraw/zinc/02/61/14/940026114.db2.gz	UQCNPOAAZJNQIJ-FUHWJXTLSA-N	1	0	369.469	1.988	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2c[nH]cc2C)C[C@H]1c1cn(C)cn1	ZINC001130726389	940031103	/nfs/dbraw/zinc/03/11/03/940031103.db2.gz	VVVFRNPJUPVDET-FUHWJXTLSA-N	1	0	357.458	1.457	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1cn(C)cn1	ZINC001130736771	940037683	/nfs/dbraw/zinc/03/76/83/940037683.db2.gz	NQTWRIJLFMCDAT-GOEBONIOSA-N	1	0	353.898	1.397	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)C(N)=O)C[C@H]1c1cn(C)cn1	ZINC001130739788	940041457	/nfs/dbraw/zinc/04/14/57/940041457.db2.gz	OLOOSVDGLDGMHO-HLLBOEOZSA-N	1	0	361.490	1.028	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCCC(=O)NC)C[C@H]1c1cn(C)cn1	ZINC001130739761	940041478	/nfs/dbraw/zinc/04/14/78/940041478.db2.gz	NFSOEQLJQOJCRB-DOTOQJQBSA-N	1	0	361.490	1.187	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2nn(CC)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130742084	940046782	/nfs/dbraw/zinc/04/67/82/940046782.db2.gz	ZQENCOAPNKCJFV-DOTOQJQBSA-N	1	0	371.489	1.504	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cnn(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130749710	940055940	/nfs/dbraw/zinc/05/59/40/940055940.db2.gz	OCAIIDSLUNMJMP-VDZJLULYSA-N	1	0	370.501	1.808	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COC)n2)O1	ZINC001130753122	940061886	/nfs/dbraw/zinc/06/18/86/940061886.db2.gz	ROHKXSMBNIHWTL-HZSPNIEDSA-N	1	0	351.451	1.232	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCOC)n2)O1	ZINC001130754268	940065194	/nfs/dbraw/zinc/06/51/94/940065194.db2.gz	BLXVSQUBLLVJFZ-QLFBSQMISA-N	1	0	365.478	1.622	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C)on3)n2)O1	ZINC001130758101	940083199	/nfs/dbraw/zinc/08/31/99/940083199.db2.gz	QJWKWIPFDSYLFJ-GXTWGEPZSA-N	1	0	360.418	1.417	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COC(C)C)n2)O1	ZINC001130765546	940096833	/nfs/dbraw/zinc/09/68/33/940096833.db2.gz	XIURJBVSJRDTCL-LSDHHAIUSA-N	1	0	365.478	1.622	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)/C(C)=C/C)n2)O1	ZINC001130772290	940111700	/nfs/dbraw/zinc/11/17/00/940111700.db2.gz	GICRJPLPWXDPQQ-YDYWWVRFSA-N	1	0	363.462	1.399	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(C(F)F)CC3)n2)O1	ZINC001130785706	940120710	/nfs/dbraw/zinc/12/07/10/940120710.db2.gz	XHRUXWOVEBANBT-NWDGAFQWSA-N	1	0	367.400	1.299	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(C)(C)C(C)C)n2)O1	ZINC001130785732	940120878	/nfs/dbraw/zinc/12/08/78/940120878.db2.gz	YKDHKKAIDOFDLJ-LSDHHAIUSA-N	1	0	361.490	1.936	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C=Cc3ccc[nH]3)n2)O1	ZINC001130776605	940125416	/nfs/dbraw/zinc/12/54/16/940125416.db2.gz	HNKSKHNSBYIDIZ-HPRJGHKQSA-N	1	0	370.457	1.848	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C)sn3)n2)O1	ZINC001130778057	940131019	/nfs/dbraw/zinc/13/10/19/940131019.db2.gz	CSZFJRPEXMIYSW-WCQYABFASA-N	1	0	362.459	1.495	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H](C)SC)n2)O1	ZINC001130781145	940136476	/nfs/dbraw/zinc/13/64/76/940136476.db2.gz	QEHGJVVDLYGJTG-RWMBFGLXSA-N	1	0	351.476	1.005	20	30		FDEDRO
CC[C@@H](C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C#CC(C)C)n2)O1	ZINC001130781318	940136931	/nfs/dbraw/zinc/13/69/31/940136931.db2.gz	YMFOUXGYROAXRW-OWCLPIDISA-N	1	0	361.490	1.936	20	30		FDEDRO
CC[C@H](C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C#CC(C)C)n2)O1	ZINC001130781317	940137192	/nfs/dbraw/zinc/13/71/92/940137192.db2.gz	YMFOUXGYROAXRW-HRCADAONSA-N	1	0	361.490	1.936	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](OC)C3CC3)n2)O1	ZINC001130782798	940141955	/nfs/dbraw/zinc/14/19/55/940141955.db2.gz	DSVQLRDUWCPVFA-LZWOXQAQSA-N	1	0	363.462	1.232	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC3(O)CCC3)n2)O1	ZINC001130782992	940142360	/nfs/dbraw/zinc/14/23/60/940142360.db2.gz	JGLILGDIAFPJLE-UONOGXRCSA-N	1	0	363.462	1.112	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C4CC4)on3)n2)O1	ZINC001130793784	940144184	/nfs/dbraw/zinc/14/41/84/940144184.db2.gz	AGFYHNIYABQNDV-GXTWGEPZSA-N	1	0	370.413	1.043	20	30		FDEDRO
C#Cc1ccc(C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CC=C)O3)n[nH]2)cc1	ZINC001130794284	940145629	/nfs/dbraw/zinc/14/56/29/940145629.db2.gz	PVOYKYRMUXVEEV-DLBZAZTESA-N	1	0	365.437	1.712	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1	ZINC001130796365	940149920	/nfs/dbraw/zinc/14/99/20/940149920.db2.gz	NZZXQBGBBPKCIC-MELADBBJSA-N	1	0	353.442	1.802	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(CC)ccn3)n2)O1	ZINC001130787545	940156975	/nfs/dbraw/zinc/15/69/75/940156975.db2.gz	XUWQEIMJGSRUHL-GOEBONIOSA-N	1	0	368.441	1.135	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3CC4(CC4)C3)n2)O1	ZINC001130806770	940181329	/nfs/dbraw/zinc/18/13/29/940181329.db2.gz	KUJSIXCGCIVXTJ-LSDHHAIUSA-N	1	0	357.458	1.444	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C4CC4)no3)n2)O1	ZINC001130809304	940187249	/nfs/dbraw/zinc/18/72/49/940187249.db2.gz	QKKUZFIGPUEORM-GXTWGEPZSA-N	1	0	370.413	1.043	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cocc3C)n2)O1	ZINC001130799332	940191077	/nfs/dbraw/zinc/19/10/77/940191077.db2.gz	BWNZUPCTIVQVFQ-DZGCQCFKSA-N	1	0	357.414	1.469	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](CCC)OC)n2)O1	ZINC001130799371	940191501	/nfs/dbraw/zinc/19/15/01/940191501.db2.gz	DPBWZPDRHLICHD-ZNMIVQPWSA-N	1	0	365.478	1.622	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3cccc(C)c3)n2)O1	ZINC001130802144	940196233	/nfs/dbraw/zinc/19/62/33/940196233.db2.gz	FFEFIWFKTGRYDM-DLBZAZTESA-N	1	0	367.453	1.415	20	30		FDEDRO
CC#CCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCF)O2)n[nH]1	ZINC001130802271	940196819	/nfs/dbraw/zinc/19/68/19/940196819.db2.gz	LGIPSQYWTWTMMX-LSDHHAIUSA-N	1	0	365.453	1.784	20	30		FDEDRO
C=CCO[C@H](C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCC)O2)n[nH]1	ZINC001130823789	940203881	/nfs/dbraw/zinc/20/38/81/940203881.db2.gz	XDGROJKTLOKHCY-HZSPNIEDSA-N	1	0	351.451	1.232	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC34CCC4)n2)O1	ZINC001130811705	940204669	/nfs/dbraw/zinc/20/46/69/940204669.db2.gz	FPPQKJILRNRWAS-SOUVJXGZSA-N	1	0	359.474	1.997	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H](C)C(C)(C)C)n2)O1	ZINC001130817272	940221867	/nfs/dbraw/zinc/22/18/67/940221867.db2.gz	JVMMUFHKOVZXLB-QLFBSQMISA-N	1	0	361.490	1.936	20	30		FDEDRO
C#CCN(C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)C1CCCC1	ZINC000807100546	940249596	/nfs/dbraw/zinc/24/95/96/940249596.db2.gz	FIDXODCGGQBGKQ-MRXNPFEDSA-N	1	0	361.486	1.008	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(CC)n[nH]3)C2)C1=O	ZINC001086648690	940267788	/nfs/dbraw/zinc/26/77/88/940267788.db2.gz	QIBQLTRDYDEOFC-IMJJTQAJSA-N	1	0	359.474	1.247	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1c1cncn1C	ZINC001130897571	940300550	/nfs/dbraw/zinc/30/05/50/940300550.db2.gz	GSFYFNMKLVFBLG-BZUAXINKSA-N	1	0	360.458	1.547	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)o2)C[C@H]1c1cncn1C	ZINC001130897618	940300833	/nfs/dbraw/zinc/30/08/33/940300833.db2.gz	IFKAUTDZHAKWSO-HZPDHXFCSA-N	1	0	358.442	1.722	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCOC)C1	ZINC001130929940	940338590	/nfs/dbraw/zinc/33/85/90/940338590.db2.gz	ZRCNOAOCEYJYED-GVDBMIGSSA-N	1	0	364.490	1.322	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C)CSC)C[C@H]1c1cncn1C	ZINC001130943984	940354256	/nfs/dbraw/zinc/35/42/56/940354256.db2.gz	QQTILHUGMXHSOA-BZUAXINKSA-N	1	0	366.531	1.506	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C[C@H]1c1cncn1C	ZINC001130957447	940362757	/nfs/dbraw/zinc/36/27/57/940362757.db2.gz	SZHCFLGBNZBYEW-MUDKKEKZSA-N	1	0	356.470	1.000	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2nccnc2C)C1	ZINC001130971643	940381148	/nfs/dbraw/zinc/38/11/48/940381148.db2.gz	WPLFKJCAAJQVEX-SJLPKXTDSA-N	1	0	366.469	1.406	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cncnc2)C[C@H]1c1cncn1C	ZINC001130973033	940384103	/nfs/dbraw/zinc/38/41/03/940384103.db2.gz	MRQRBVWLNHTBPG-CGTJXYLNSA-N	1	0	368.485	1.692	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)n2cncn2)C[C@H]1c1cncn1C	ZINC001130967346	940390266	/nfs/dbraw/zinc/39/02/66/940390266.db2.gz	XYYRMDKMNUTNBQ-BZUAXINKSA-N	1	0	357.462	1.123	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H](C)N2C(=O)c3ccc(C)cc3C2=O)CC1	ZINC000747404159	940402074	/nfs/dbraw/zinc/40/20/74/940402074.db2.gz	HKFMPDDGNDSNCR-OAHLLOKOSA-N	1	0	367.449	1.583	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cncc3nc[nH]c32)C[C@H]1c1cncn1C	ZINC001130995542	940418991	/nfs/dbraw/zinc/41/89/91/940418991.db2.gz	FBIKVAVIUOYNFT-GDBMZVCRSA-N	1	0	365.441	1.465	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cc(C)ncn2)C1	ZINC001131002004	940428521	/nfs/dbraw/zinc/42/85/21/940428521.db2.gz	WEJKGEYEWUUZTO-QZTJIDSGSA-N	1	0	368.485	1.959	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(F)cncc2F)C[C@H]1c1cncn1C	ZINC001131001823	940428637	/nfs/dbraw/zinc/42/86/37/940428637.db2.gz	QCRGUNYBSMQTGY-IUODEOHRSA-N	1	0	359.380	1.314	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccnn2[C@@H](C)CC)C[C@H]1c1cncn1C	ZINC001131003280	940429753	/nfs/dbraw/zinc/42/97/53/940429753.db2.gz	BKGKBHYIPFSTEA-GVDBMIGSSA-N	1	0	368.485	1.809	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(F)(F)C2)C[C@H]1c1cncn1C	ZINC001131006165	940432679	/nfs/dbraw/zinc/43/26/79/940432679.db2.gz	OJNQPVPKNDBBEB-RBSFLKMASA-N	1	0	350.413	1.763	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2cn(C)nc2C)C[C@H]1c1cncn1C	ZINC001131007875	940434499	/nfs/dbraw/zinc/43/44/99/940434499.db2.gz	OJCHWFLTGKWAJF-QZTJIDSGSA-N	1	0	370.501	1.555	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3c([nH]2)CCOC3)C[C@H]1c1cncn1C	ZINC001131008278	940434716	/nfs/dbraw/zinc/43/47/16/940434716.db2.gz	ZYNFYIMCSMXZKS-CRAIPNDOSA-N	1	0	367.453	1.042	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2nc(CC)c[nH]2)C[C@H]1c1cncn1C	ZINC001131010365	940441102	/nfs/dbraw/zinc/44/11/02/940441102.db2.gz	KLUVDRCRHNKBDT-HZPDHXFCSA-N	1	0	356.474	1.408	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cncc(COC)c2)C[C@H]1c1cncn1C	ZINC001131010661	940441891	/nfs/dbraw/zinc/44/18/91/940441891.db2.gz	XHCQODRXZPMTBG-QZTJIDSGSA-N	1	0	367.453	1.183	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2[nH]c(=O)[nH]c2C)C[C@H]1c1cncn1C	ZINC001131014683	940448212	/nfs/dbraw/zinc/44/82/12/940448212.db2.gz	FJBVRDZJBXMTSW-ZIAGYGMSSA-N	1	0	358.446	1.321	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc3ccccn32)C[C@H]1c1cncn1C	ZINC001131020427	940452862	/nfs/dbraw/zinc/45/28/62/940452862.db2.gz	UXYQXAZFXCWPSZ-HZPDHXFCSA-N	1	0	364.453	1.842	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CC2CC(F)(F)C2)C[C@H]1c1cncn1C	ZINC001131020614	940453292	/nfs/dbraw/zinc/45/32/92/940453292.db2.gz	YODLJCDQXVPOQO-HUUCEWRRSA-N	1	0	350.413	1.763	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CCC(C)(F)F)C[C@H]1c1cncn1C	ZINC001131022852	940456365	/nfs/dbraw/zinc/45/63/65/940456365.db2.gz	JNCMQDJTIHUBHG-HUUCEWRRSA-N	1	0	370.444	1.942	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)cc2F)C[C@H]1c1cncn1C	ZINC001131026172	940459627	/nfs/dbraw/zinc/45/96/27/940459627.db2.gz	YXFDFPQWIWUBHI-SJLPKXTDSA-N	1	0	370.428	1.789	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)COCC(F)F)C[C@H]1c1cncn1C	ZINC001131038591	940467250	/nfs/dbraw/zinc/46/72/50/940467250.db2.gz	YSQOGIHFGMWWTH-ZIAGYGMSSA-N	1	0	356.417	1.552	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn3cccnc23)C[C@H]1c1cncn1C	ZINC001131040530	940468789	/nfs/dbraw/zinc/46/87/89/940468789.db2.gz	YIWJYJMTNWBJTC-HZPDHXFCSA-N	1	0	365.441	1.237	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(=O)[nH]c(CC)c2)C[C@H]1c1cncn1C	ZINC001131033749	940470201	/nfs/dbraw/zinc/47/02/01/940470201.db2.gz	VFWOEPCHDTZQGZ-IAGOWNOFSA-N	1	0	367.453	1.304	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC2(C)C)C[C@H]1c1cncn1C	ZINC001131049347	940470724	/nfs/dbraw/zinc/47/07/24/940470724.db2.gz	VPKVDYDWZFYIKG-IXDOHACOSA-N	1	0	360.502	1.943	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(OC)cs2)C[C@H]1c1cncn1C	ZINC001131042312	940471538	/nfs/dbraw/zinc/47/15/38/940471538.db2.gz	MURIAPDXQBKWQH-HUUCEWRRSA-N	1	0	358.467	1.711	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOCC)C1	ZINC001131044229	940473159	/nfs/dbraw/zinc/47/31/59/940473159.db2.gz	UFKFPMIKLNLGSR-QZTJIDSGSA-N	1	0	360.502	1.924	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(=O)N(C)CC)C1	ZINC001131059924	940478971	/nfs/dbraw/zinc/47/89/71/940478971.db2.gz	PICMQGMNKHYQSJ-HZPDHXFCSA-N	1	0	361.490	1.139	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)nc(OC)c2)C[C@H]1c1cncn1C	ZINC001131054002	940480865	/nfs/dbraw/zinc/48/08/65/940480865.db2.gz	MRWZZQREYYAJBX-IAGOWNOFSA-N	1	0	367.453	1.353	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2conc2C2CC2)C[C@H]1c1cncn1C	ZINC001131070435	940484580	/nfs/dbraw/zinc/48/45/80/940484580.db2.gz	VHXXYIXUKWOLJZ-GDBMZVCRSA-N	1	0	353.426	1.507	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ocnc2C2CC2)C[C@H]1c1cncn1C	ZINC001131070504	940484650	/nfs/dbraw/zinc/48/46/50/940484650.db2.gz	YRKPFYSMUWDVDI-HUUCEWRRSA-N	1	0	353.426	1.507	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC23CCC3)C[C@H]1c1cncn1C	ZINC001131081840	940487878	/nfs/dbraw/zinc/48/78/78/940487878.db2.gz	BYMYOOUENYXBGT-BRWVUGGUSA-N	1	0	358.486	1.697	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2cccnc2)C[C@H]1c1cncn1C	ZINC001131084028	940489062	/nfs/dbraw/zinc/48/90/62/940489062.db2.gz	JNZMDXWFZKVRJF-QXAKKESOSA-N	1	0	365.481	1.916	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1c1cncn1C	ZINC001131073741	940490196	/nfs/dbraw/zinc/49/01/96/940490196.db2.gz	MDLVIWXFQCIAFH-YYIAUSFCSA-N	1	0	373.501	1.172	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2ccnc(OC)c2)C[C@H]1c1cncn1C	ZINC001131073830	940490378	/nfs/dbraw/zinc/49/03/78/940490378.db2.gz	QDWLPNACCRAHOB-IAGOWNOFSA-N	1	0	369.469	1.527	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)nn2CC)C[C@H]1c1cncn1C	ZINC001131076225	940491251	/nfs/dbraw/zinc/49/12/51/940491251.db2.gz	JBUDWYGEQAKOCB-HZPDHXFCSA-N	1	0	354.458	1.166	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cnn(C)c2)C[C@H]1c1cncn1C	ZINC001131099602	940493899	/nfs/dbraw/zinc/49/38/99/940493899.db2.gz	VLMUCYPUWYNJDC-IAGOWNOFSA-N	1	0	368.485	1.039	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CNC(=O)CCC(C)C)C[C@H]1c1cncn1C	ZINC001131089679	940495068	/nfs/dbraw/zinc/49/50/68/940495068.db2.gz	TYHHLSDFVADEKK-HZPDHXFCSA-N	1	0	361.490	1.043	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc3ncccn3n2)C[C@H]1c1cncn1C	ZINC001131096741	940497396	/nfs/dbraw/zinc/49/73/96/940497396.db2.gz	MWUDONBAMQHQNY-GDBMZVCRSA-N	1	0	365.441	1.237	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2nocc2C)C[C@H]1c1cncn1C	ZINC001131101054	940500350	/nfs/dbraw/zinc/50/03/50/940500350.db2.gz	KIOMVEZCNMYZDZ-HUUCEWRRSA-N	1	0	359.430	1.117	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)COCCCOC)C[C@H]1c1cncn1C	ZINC001131106269	940501957	/nfs/dbraw/zinc/50/19/57/940501957.db2.gz	RWHILWQBLBRGSU-IAGOWNOFSA-N	1	0	364.490	1.323	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn(CC3CC3)c2)C[C@H]1c1cncn1C	ZINC001131106542	940502071	/nfs/dbraw/zinc/50/20/71/940502071.db2.gz	ZFZUIGHPYHSUGI-QZTJIDSGSA-N	1	0	366.469	1.248	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2ccccn2)C[C@H]1c1cncn1C	ZINC001131108543	940502911	/nfs/dbraw/zinc/50/29/11/940502911.db2.gz	VFBWIDDTOMSAFI-GVDBMIGSSA-N	1	0	367.453	1.190	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@H]1c1cncn1C	ZINC001131117821	940504608	/nfs/dbraw/zinc/50/46/08/940504608.db2.gz	UKXQZLTWBRVALJ-HZPDHXFCSA-N	1	0	355.442	1.685	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(F)cc2F)C[C@H]1c1cncn1C	ZINC001131117919	940504834	/nfs/dbraw/zinc/50/48/34/940504834.db2.gz	ZALVNNQXXBRNBN-NVXWUHKLSA-N	1	0	358.392	1.919	20	30		FDEDRO
C=CC[C@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1)c1ccccc1	ZINC001131126213	940508132	/nfs/dbraw/zinc/50/81/32/940508132.db2.gz	WKPLGPSEUNKHOR-IPMKNSEASA-N	1	0	368.481	1.656	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCn2cc(C)cn2)C[C@H]1c1cncn1C	ZINC001131127996	940509874	/nfs/dbraw/zinc/50/98/74/940509874.db2.gz	PQYBOUYKDNHAIT-QZTJIDSGSA-N	1	0	370.501	1.866	20	30		FDEDRO
COc1ccc(CNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1C#N	ZINC000747446955	940510841	/nfs/dbraw/zinc/51/08/41/940510841.db2.gz	OFACAKXILYCMEV-NRFANRHFSA-N	1	0	365.433	1.820	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccccc2N(C)C)C[C@H]1c1cncn1C	ZINC001131136529	940513623	/nfs/dbraw/zinc/51/36/23/940513623.db2.gz	RJLXFPYZCQXQAA-QZTJIDSGSA-N	1	0	365.481	1.707	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ccco2)C1	ZINC001131298070	940545162	/nfs/dbraw/zinc/54/51/62/940545162.db2.gz	SDVXLMSQKMWPSG-UXLLHSPISA-N	1	0	359.426	1.965	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CN(C)CCO2)C1	ZINC001086664441	940546340	/nfs/dbraw/zinc/54/63/40/940546340.db2.gz	ONOVERQNCOJJBD-MJBXVCDLSA-N	1	0	360.296	1.100	20	30		FDEDRO
CC(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CSCC#N)C1	ZINC001131301397	940547406	/nfs/dbraw/zinc/54/74/06/940547406.db2.gz	UBNHUQSCROVVIR-ZNMIVQPWSA-N	1	0	366.487	1.005	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CCCC=C)C[C@H]32)C1	ZINC001131307130	940548831	/nfs/dbraw/zinc/54/88/31/940548831.db2.gz	JWOFUXURMLGPRB-KURKYZTESA-N	1	0	359.470	1.862	20	30		FDEDRO
C#CCC1(C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[N@@H+](CCC)C[C@H]43)C2)CCC1	ZINC001131310041	940549639	/nfs/dbraw/zinc/54/96/39/940549639.db2.gz	FXNJGDGZPMOBQW-BBWFWOEESA-N	1	0	359.470	1.696	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C(C)(C)COC)C1	ZINC001131309989	940549733	/nfs/dbraw/zinc/54/97/33/940549733.db2.gz	DUGJBLGPRNOYFS-OAGGEKHMSA-N	1	0	365.474	1.341	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C2(CCF)CC2)C1	ZINC001131310336	940550191	/nfs/dbraw/zinc/55/01/91/940550191.db2.gz	OXYIKYANJCZUFJ-XHSDSOJGSA-N	1	0	365.449	1.808	20	30		FDEDRO
C=CCCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCCO[C@H]2C=C)CC1	ZINC001131360065	940555337	/nfs/dbraw/zinc/55/53/37/940555337.db2.gz	FXGNRWJNFLIGJK-MSOLQXFVSA-N	1	0	363.502	1.584	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(C)=O)CC1	ZINC001131412349	940563031	/nfs/dbraw/zinc/56/30/31/940563031.db2.gz	DBSROMMDSWUKTB-QUCCMNQESA-N	1	0	365.518	1.855	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(=O)[nH]n2)CC1	ZINC001131412846	940563073	/nfs/dbraw/zinc/56/30/73/940563073.db2.gz	MQAYYLGZEJCULW-QAPCUYQASA-N	1	0	360.458	1.748	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccncc2)CC1	ZINC001131410322	940565999	/nfs/dbraw/zinc/56/59/99/940565999.db2.gz	BHMOPCRBDOANTF-MOPGFXCFSA-N	1	0	359.470	1.884	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)NC(C)=O)CC1	ZINC001131416903	940567706	/nfs/dbraw/zinc/56/77/06/940567706.db2.gz	QJAVUCKNBVHBMY-QGTPRVQTSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H]2CCCN(C)C2=O)CC1	ZINC001131448455	940601565	/nfs/dbraw/zinc/60/15/65/940601565.db2.gz	AGRSIFXWOZWECG-LMMKCTJWSA-N	1	0	363.502	1.559	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCC(F)F)CC1	ZINC001131451049	940604332	/nfs/dbraw/zinc/60/43/32/940604332.db2.gz	DTGOAYWYZLDMHQ-BJJXKVORSA-N	1	0	359.417	1.413	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)CCC)CC1	ZINC001131456576	940610927	/nfs/dbraw/zinc/61/09/27/940610927.db2.gz	UVSNHOKBHWXRNT-SUMDDJOVSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)C2CC2)CC1	ZINC001131464440	940622162	/nfs/dbraw/zinc/62/21/62/940622162.db2.gz	RDWBJFNJZXIWQP-BJZITVGISA-N	1	0	363.502	1.320	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)C1=O	ZINC001131491655	940642871	/nfs/dbraw/zinc/64/28/71/940642871.db2.gz	OTOMYOSDUJFOEK-QRVBRYPASA-N	1	0	371.481	1.269	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCc3cn[nH]c32)CC1	ZINC001131496132	940647564	/nfs/dbraw/zinc/64/75/64/940647564.db2.gz	QFZLZYVPTYREDW-NSHGMRRFSA-N	1	0	370.497	1.839	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H](C)CC)CC1	ZINC001131498531	940648484	/nfs/dbraw/zinc/64/84/84/940648484.db2.gz	CWWAMOCTWSIKGS-MDYRTPRTSA-N	1	0	363.502	1.158	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnc3[nH]cnc3c2)CC1	ZINC001131506796	940669081	/nfs/dbraw/zinc/66/90/81/940669081.db2.gz	PKEMUUQBGUJMJH-AEFFLSMTSA-N	1	0	367.453	1.581	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cncc3nc[nH]c32)CC1	ZINC001131506908	940669590	/nfs/dbraw/zinc/66/95/90/940669590.db2.gz	VXCYYXOHWNDABT-APWZRJJASA-N	1	0	367.453	1.581	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)C(N)=O)CC1	ZINC001131515448	940680374	/nfs/dbraw/zinc/68/03/74/940680374.db2.gz	KSNQKHACHAATLH-CVEARBPZSA-N	1	0	351.491	1.450	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnc[nH]c2=O)CC1	ZINC001131519127	940687718	/nfs/dbraw/zinc/68/77/18/940687718.db2.gz	GNMFYEOJAKHZQP-SJORKVTESA-N	1	0	360.458	1.748	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn3ccncc23)CC1	ZINC001131511905	940693617	/nfs/dbraw/zinc/69/36/17/940693617.db2.gz	BYAHDUCHGDVKNX-MJGOQNOKSA-N	1	0	367.453	1.352	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2cc(C3CC3)nn2)CC1	ZINC001131512159	940694082	/nfs/dbraw/zinc/69/40/82/940694082.db2.gz	QBQSLNSTIOBODH-XLIONFOSSA-N	1	0	371.485	1.165	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(=O)NC)CC2)cc1	ZINC001131543656	940719524	/nfs/dbraw/zinc/71/95/24/940719524.db2.gz	NEKKZGPVBJTGAZ-QUCCMNQESA-N	1	0	369.465	1.013	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2csnn2)CC1	ZINC001131535613	940724742	/nfs/dbraw/zinc/72/47/42/940724742.db2.gz	HRBRQESBINPYEL-ZBFHGGJFSA-N	1	0	366.487	1.340	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOC)CC1	ZINC001131538068	940725871	/nfs/dbraw/zinc/72/58/71/940725871.db2.gz	FTAJZWCTFGMOMH-WSTZPKSXSA-N	1	0	368.518	1.847	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@]2(COC)CCOC2)CC1	ZINC001131538923	940726745	/nfs/dbraw/zinc/72/67/45/940726745.db2.gz	YKJNYEXAPBIHQG-WSTZPKSXSA-N	1	0	366.502	1.601	20	30		FDEDRO
C=CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](CC)C(N)=O)CC1	ZINC001131558388	940733304	/nfs/dbraw/zinc/73/33/04/940733304.db2.gz	YIOPHPSOGRYCFO-JZXOWHBKSA-N	1	0	351.491	1.592	20	30		FDEDRO
CC#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H](O)COC)CC1	ZINC001131547932	940737262	/nfs/dbraw/zinc/73/72/62/940737262.db2.gz	JXJJPBZENILQHR-NSHGMRRFSA-N	1	0	366.502	1.173	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCO)CC1	ZINC001131549853	940738309	/nfs/dbraw/zinc/73/83/09/940738309.db2.gz	BVUCXEJPJWMTSV-QRQLOZEOSA-N	1	0	368.518	1.583	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCO)CC1	ZINC001131550521	940739406	/nfs/dbraw/zinc/73/94/06/940739406.db2.gz	XIMLQVBSXQCCPY-HQRMLTQVSA-N	1	0	368.518	1.583	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC1	ZINC001131564130	940740040	/nfs/dbraw/zinc/74/00/40/940740040.db2.gz	CLQBGTHMMRFFBF-XDNAFOTISA-N	1	0	363.502	1.273	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(=O)NC)CC1	ZINC001131572728	940748960	/nfs/dbraw/zinc/74/89/60/940748960.db2.gz	NOTNDJUBIAOOFE-UAGQMJEPSA-N	1	0	365.518	1.709	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C(C)C)CC1	ZINC001131575128	940752140	/nfs/dbraw/zinc/75/21/40/940752140.db2.gz	PZQVENYYYVZWLM-QRVBRYPASA-N	1	0	365.518	1.851	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)NC(=O)NCC)CC1	ZINC001131575458	940752638	/nfs/dbraw/zinc/75/26/38/940752638.db2.gz	ZBAVGOLQFYCHBR-CVEARBPZSA-N	1	0	366.506	1.256	20	30		FDEDRO
C=CCn1cc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCCC)CC2)nn1	ZINC001131577734	940754739	/nfs/dbraw/zinc/75/47/39/940754739.db2.gz	DVDLVZLAQGPPMS-AEFFLSMTSA-N	1	0	361.490	1.864	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)NC(C)=O)CC1	ZINC001131578238	940755101	/nfs/dbraw/zinc/75/51/01/940755101.db2.gz	MWVIYNYLYQTKQQ-CVEARBPZSA-N	1	0	371.909	1.639	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)OCCOC)CC1	ZINC001131578448	940755663	/nfs/dbraw/zinc/75/56/63/940755663.db2.gz	YCIMAAAUUROOCI-JQHSSLGASA-N	1	0	354.491	1.600	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCN(C(C)=O)C2)CC1	ZINC001131599746	940783142	/nfs/dbraw/zinc/78/31/42/940783142.db2.gz	JZXCLNHUVAHYMK-QRVBRYPASA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCOC)CC1	ZINC001131610233	940789927	/nfs/dbraw/zinc/78/99/27/940789927.db2.gz	GUQQUQPWZVNGDB-MJGOQNOKSA-N	1	0	354.491	1.601	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2cn(C)nn2)CC1	ZINC001131613264	940792803	/nfs/dbraw/zinc/79/28/03/940792803.db2.gz	ZKOARNJRAVHCEW-MJGOQNOKSA-N	1	0	361.490	1.310	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(C)c1)[C@@H]1CCCO1	ZINC000809309513	940814099	/nfs/dbraw/zinc/81/40/99/940814099.db2.gz	NHJPXDQOBDFFFM-MOPGFXCFSA-N	1	0	371.481	1.182	20	30		FDEDRO
CC(C)(C)n1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1	ZINC001086676050	940923931	/nfs/dbraw/zinc/92/39/31/940923931.db2.gz	QNYIEWJTIDOHMQ-QWHCGFSZSA-N	1	0	370.461	1.316	20	30		FDEDRO
N#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@@H]3CCc4ncnn43)C2)[nH]1	ZINC001086676256	940933159	/nfs/dbraw/zinc/93/31/59/940933159.db2.gz	KRSVIZVEZGWAOH-GUTXKFCHSA-N	1	0	353.430	1.153	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@@H]3CCNC(=O)CC3)C2)c[nH]1	ZINC001086676544	940948735	/nfs/dbraw/zinc/94/87/35/940948735.db2.gz	IRDIZRIENFYYQD-OFQRWUPVSA-N	1	0	357.458	1.291	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1=O	ZINC001086676862	940949470	/nfs/dbraw/zinc/94/94/70/940949470.db2.gz	YKIVIFCSDQOGPE-YSVLISHTSA-N	1	0	355.442	1.161	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cn(C)nn3)C2)cc1C#N	ZINC001086687388	941076690	/nfs/dbraw/zinc/07/66/90/941076690.db2.gz	PIZOGXICBSCDOY-GOEBONIOSA-N	1	0	368.441	1.384	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1	ZINC001086698398	941166196	/nfs/dbraw/zinc/16/61/96/941166196.db2.gz	CCWIMCRYOMAFKS-ZWQIFLOQSA-N	1	0	368.481	1.847	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)OCC[C@@H]2CCCC[N@H+]2C)cc1	ZINC000811831750	941167042	/nfs/dbraw/zinc/16/70/42/941167042.db2.gz	FGQMZEIYZBIBEP-INIZCTEOSA-N	1	0	364.467	1.629	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccccc2OC)CC1	ZINC000747818001	941273128	/nfs/dbraw/zinc/27/31/28/941273128.db2.gz	CQPAYRXRIRBMNU-HZPDHXFCSA-N	1	0	371.481	1.722	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CCCCN2C(=O)c3ccccc3C2=O)CC1	ZINC000747820094	941274598	/nfs/dbraw/zinc/27/45/98/941274598.db2.gz	JJAHZLQBGCVPAL-UHFFFAOYSA-N	1	0	367.449	1.524	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(=O)N(CC)Cc2cccc(F)c2)CC1	ZINC000747822744	941279619	/nfs/dbraw/zinc/27/96/19/941279619.db2.gz	DVFKYJFJVOBXNP-UHFFFAOYSA-N	1	0	359.445	1.636	20	30		FDEDRO
C[N@H+](CC(=O)NC1(C#N)CCC1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1	ZINC000812834948	941281514	/nfs/dbraw/zinc/28/15/14/941281514.db2.gz	XXOHCQXUIFYXIR-AWEZNQCLSA-N	1	0	350.463	1.784	20	30		FDEDRO
O=C1[C@H](O[NH+]=Cc2ccc(N3CCOCC3)cc2)CCN1C1CCOCC1	ZINC000747825747	941292942	/nfs/dbraw/zinc/29/29/42/941292942.db2.gz	FPNGOFWJCTZSPT-LJQANCHMSA-N	1	0	373.453	1.654	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1	ZINC001134126397	941575194	/nfs/dbraw/zinc/57/51/94/941575194.db2.gz	ORULJEOKCXTSIA-DLBZAZTESA-N	1	0	353.426	1.310	20	30		FDEDRO
COc1ccc(CNC(=S)NN=C2CC[NH+](CC(C)(C)O)CC2)cc1	ZINC000814214754	941589534	/nfs/dbraw/zinc/58/95/34/941589534.db2.gz	HTGKJNZYYMMNPD-UHFFFAOYSA-N	1	0	364.515	1.882	20	30		FDEDRO
C=C(Br)CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1	ZINC000814290016	941608690	/nfs/dbraw/zinc/60/86/90/941608690.db2.gz	ZAFATRBZZMBHQG-UHFFFAOYSA-N	1	0	361.284	1.186	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2	ZINC000815082143	941777767	/nfs/dbraw/zinc/77/77/67/941777767.db2.gz	BFRNQAVPLLFZEZ-GFCCVEGCSA-N	1	0	356.875	1.897	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1	ZINC000815083261	941778272	/nfs/dbraw/zinc/77/82/72/941778272.db2.gz	USZWCBIWTDCAGU-UHFFFAOYSA-N	1	0	358.847	1.360	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+]C2(Cc3ccc(F)cc3)CCOCC2)CC1	ZINC000815130870	941782277	/nfs/dbraw/zinc/78/22/77/941782277.db2.gz	JKRWUFNGOQIZDP-UHFFFAOYSA-N	1	0	373.472	1.284	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCc1cccc(C)c1	ZINC001135145559	941929236	/nfs/dbraw/zinc/92/92/36/941929236.db2.gz	OEDDTTLDFZZECK-HKUYNNGSSA-N	1	0	359.470	1.298	20	30		FDEDRO
C#CCN(C)CCC[NH2+][C@H](C1CC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000815652576	941933010	/nfs/dbraw/zinc/93/30/10/941933010.db2.gz	IWFVXPXBOBLQNR-QZTJIDSGSA-N	1	0	365.518	1.946	20	30		FDEDRO
C#CCN(C)CCC[NH2+][C@H](C1CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000815652578	941933067	/nfs/dbraw/zinc/93/30/67/941933067.db2.gz	IWFVXPXBOBLQNR-ZWKOTPCHSA-N	1	0	365.518	1.946	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)cc1	ZINC001135139028	941934532	/nfs/dbraw/zinc/93/45/32/941934532.db2.gz	WYXZSNGHBVGBAF-QZTJIDSGSA-N	1	0	353.426	1.066	20	30		FDEDRO
C[C@H](C#N)C[N@H+](C)C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1	ZINC000816492947	942223147	/nfs/dbraw/zinc/22/31/47/942223147.db2.gz	KAMGDJDHAXGTTL-CABCVRRESA-N	1	0	352.479	1.841	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cnc3sccn3c2=O)C1	ZINC001086749676	942246650	/nfs/dbraw/zinc/24/66/50/942246650.db2.gz	MHVGLKTWRRDBNO-NWDGAFQWSA-N	1	0	366.874	1.997	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCNC(=O)C1CC1	ZINC001170840732	942314901	/nfs/dbraw/zinc/31/49/01/942314901.db2.gz	AKHFQNZJAJSCNF-NXHRZFHOSA-N	1	0	365.518	1.758	20	30		FDEDRO
CN1C(=O)CC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001086777729	942453196	/nfs/dbraw/zinc/45/31/96/942453196.db2.gz	FAXLEMNBJFQLDQ-KSZLIROESA-N	1	0	354.454	1.554	20	30		FDEDRO
C#C[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CCOCC1	ZINC000856112568	970917482	/nfs/dbraw/zinc/91/74/82/970917482.db2.gz	HUAOYYQIAALRNE-HNNXBMFYSA-N	1	0	354.366	1.939	20	30		FDEDRO
C#CCNC(=O)CC[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@@H]1C	ZINC000817292238	942661105	/nfs/dbraw/zinc/66/11/05/942661105.db2.gz	KJWAOTUZEZDZTL-JYJNAYRXSA-N	1	0	351.491	1.997	20	30		FDEDRO
CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N	ZINC000817779882	942947518	/nfs/dbraw/zinc/94/75/18/942947518.db2.gz	HBAGZZWKSKBZKE-QLFBSQMISA-N	1	0	365.478	1.481	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2	ZINC000818615374	943303181	/nfs/dbraw/zinc/30/31/81/943303181.db2.gz	LMFZYSLJJVJIMF-MRXNPFEDSA-N	1	0	371.437	1.091	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCOc2ccccc2F)nc1	ZINC000818945218	943356833	/nfs/dbraw/zinc/35/68/33/943356833.db2.gz	YARCLKQLVMMBCU-UHFFFAOYSA-N	1	0	363.414	1.925	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[NH2+]CCCN2CCN(c3ncccn3)CC2)cc1	ZINC000818950470	943360285	/nfs/dbraw/zinc/36/02/85/943360285.db2.gz	SOTNMPMVRPLGGO-LJQANCHMSA-N	1	0	366.469	1.184	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[NH2+]CC(=O)N2CCN(c3ccccc3)CC2)cc1	ZINC000818983340	943371394	/nfs/dbraw/zinc/37/13/94/943371394.db2.gz	DLEDXOJSNZPXOA-HXUWFJFHSA-N	1	0	364.449	1.530	20	30		FDEDRO
CC[C@@H](C#N)Oc1cccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1	ZINC000819068451	943428292	/nfs/dbraw/zinc/42/82/92/943428292.db2.gz	PZQFUDHGOXSMLU-CVEARBPZSA-N	1	0	359.386	1.623	20	30		FDEDRO
CC[C@H](C#N)Oc1cc(C[NH2+]C[C@H](O)CN2CCOCC2)ccc1OC	ZINC000819070671	943429221	/nfs/dbraw/zinc/42/92/21/943429221.db2.gz	YUYQPTNSWFNGJI-DLBZAZTESA-N	1	0	363.458	1.159	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2COC3(CCCCC3)O2)cc1	ZINC000819210554	943488505	/nfs/dbraw/zinc/48/85/05/943488505.db2.gz	WISVKRBWRBQNHX-MRXNPFEDSA-N	1	0	364.467	1.997	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]CCc1cn2cc(Br)cc(C)c2n1	ZINC000819229299	943499254	/nfs/dbraw/zinc/49/92/54/943499254.db2.gz	ONYOOOPQIHRJRH-UHFFFAOYSA-N	1	0	363.259	1.677	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cc(N)nc(Br)c2)CC1	ZINC000820196993	943945246	/nfs/dbraw/zinc/94/52/46/943945246.db2.gz	JUNMAQJCFXWMNJ-UHFFFAOYSA-N	1	0	351.248	1.644	20	30		FDEDRO
CON=C(C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1csc(N)n1	ZINC000820303682	943980249	/nfs/dbraw/zinc/98/02/49/943980249.db2.gz	STHRMHPZMMFSOS-GFCCVEGCSA-N	1	0	351.476	1.410	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C(C)C)CCO2)C1	ZINC001195593820	971064158	/nfs/dbraw/zinc/06/41/58/971064158.db2.gz	ANPQWOTVYNAICW-KZNAEPCWSA-N	1	0	355.523	1.227	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H](C)C[NH+](C)C)cc1	ZINC000821533620	944542576	/nfs/dbraw/zinc/54/25/76/944542576.db2.gz	CLMVHKZNRBDSPM-AWEZNQCLSA-N	1	0	368.503	1.812	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)NCCNC(=O)c1cccc(Br)c1	ZINC001136550451	944893884	/nfs/dbraw/zinc/89/38/84/944893884.db2.gz	OUPULDZJLKUZKC-UHFFFAOYSA-N	1	0	354.248	1.413	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CC[N@H+](CCOC)[C@@H](CCC)C1)C1CCOCC1	ZINC000823172597	945516170	/nfs/dbraw/zinc/51/61/70/945516170.db2.gz	IIDYIYJIIOCUMO-ZWKOTPCHSA-N	1	0	351.491	1.557	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C)[NH+]1CCCC1	ZINC001090720849	945968513	/nfs/dbraw/zinc/96/85/13/945968513.db2.gz	FCAVUFRLAILDJB-QGPMSJSTSA-N	1	0	356.474	1.410	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C)[NH+]1CCCCC1	ZINC001090721086	945969479	/nfs/dbraw/zinc/96/94/79/945969479.db2.gz	JPFOMRKFRJACLS-SZVBFZGTSA-N	1	0	370.501	1.800	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C)[NH+]1CCCCC1	ZINC001090721085	945969571	/nfs/dbraw/zinc/96/95/71/945969571.db2.gz	JPFOMRKFRJACLS-SUMDDJOVSA-N	1	0	370.501	1.800	20	30		FDEDRO
CC[N@H+](C)Cc1cc(O[C@H]2CCN(S(=O)(=O)CCCC#N)C2)ccn1	ZINC000856539179	971218791	/nfs/dbraw/zinc/21/87/91/971218791.db2.gz	JBWHCHOGXXLUIC-KRWDZBQOSA-N	1	0	366.487	1.620	20	30		FDEDRO
C#CCC[N@H+]1CCC[C@@H]2[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C(C)(C)[C@H]21	ZINC001573281626	946678676	/nfs/dbraw/zinc/67/86/76/946678676.db2.gz	ACZFRROETDEIFT-KBMXLJTQSA-N	1	0	367.457	1.437	20	30		FDEDRO
CCn1nc(C)c(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1	ZINC000824694487	946694539	/nfs/dbraw/zinc/69/45/39/946694539.db2.gz	REOPJLOQBWLYGE-UHFFFAOYSA-N	1	0	369.473	1.752	20	30		FDEDRO
C#CCCCC(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573283897	946731318	/nfs/dbraw/zinc/73/13/18/946731318.db2.gz	NIEGSDUWXASZGQ-UONOGXRCSA-N	1	0	353.430	1.184	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)NCC#N)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1	ZINC000824564901	946804658	/nfs/dbraw/zinc/80/46/58/946804658.db2.gz	YEPXILHZOJETHC-CYBMUJFWSA-N	1	0	361.409	1.824	20	30		FDEDRO
C=CCOc1ccc(C[NH2+]CCS(=O)(=O)C2CCOCC2)cc1OC	ZINC000824897048	946844906	/nfs/dbraw/zinc/84/49/06/946844906.db2.gz	LLYWIDRDTVORJY-UHFFFAOYSA-N	1	0	369.483	1.943	20	30		FDEDRO
C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000824600227	946854661	/nfs/dbraw/zinc/85/46/61/946854661.db2.gz	YJXSNHLKKWMXLS-WYFZMLARSA-N	1	0	353.386	1.044	20	30		FDEDRO
C#Cc1ccc(C(=O)NCC2CC(Nc3cc[nH+]cc3-c3nn[nH]n3)C2)cc1	ZINC001573288132	946857624	/nfs/dbraw/zinc/85/76/24/946857624.db2.gz	OIUSEDQRRLARCD-UHFFFAOYSA-N	1	0	373.420	1.285	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)nn3cccnc13)C2	ZINC001110108827	946927828	/nfs/dbraw/zinc/92/78/28/946927828.db2.gz	LFUZVNAXZAYUKY-PMPSAXMXSA-N	1	0	353.426	1.023	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@H]21	ZINC001573292790	946941024	/nfs/dbraw/zinc/94/10/24/946941024.db2.gz	CBDIEASUEDIPHF-FOLVSLTJSA-N	1	0	367.457	1.723	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C(C)(C)C1	ZINC001573561377	946962161	/nfs/dbraw/zinc/96/21/61/946962161.db2.gz	JYQAPVZNCROAIT-DOMZBBRYSA-N	1	0	353.430	1.353	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CC1	ZINC001573562363	946975502	/nfs/dbraw/zinc/97/55/02/946975502.db2.gz	TUHXYAXRNRIGOU-MFKMUULPSA-N	1	0	359.459	1.414	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573294098	946976859	/nfs/dbraw/zinc/97/68/59/946976859.db2.gz	UJZGSWWHZCZTHJ-CZUORRHYSA-N	1	0	357.462	1.991	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@](C)(C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573563811	946986402	/nfs/dbraw/zinc/98/64/02/946986402.db2.gz	COUSGDNGBJPUHM-SCLBCKFNSA-N	1	0	353.430	1.355	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573564456	946992925	/nfs/dbraw/zinc/99/29/25/946992925.db2.gz	IUASVNPSMHDFOJ-YPMHNXCESA-N	1	0	357.393	1.104	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC(C)([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1	ZINC001573564851	947000379	/nfs/dbraw/zinc/00/03/79/947000379.db2.gz	MCZALVROWOESBP-CYBMUJFWSA-N	1	0	353.430	1.497	20	30		FDEDRO
C[C@@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)C1CCN(C(=O)[C@@H](C)C#N)CC1	ZINC001573565277	947004279	/nfs/dbraw/zinc/00/42/79/947004279.db2.gz	PSWQPKNESDABQY-UONOGXRCSA-N	1	0	367.457	1.743	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573565885	947019908	/nfs/dbraw/zinc/01/99/08/947019908.db2.gz	XGWCPYSOYYXGJQ-ZFWWWQNUSA-N	1	0	353.430	1.307	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573566547	947026269	/nfs/dbraw/zinc/02/62/69/947026269.db2.gz	DHDQQHHMSGWIQD-XJKSGUPXSA-N	1	0	353.430	1.449	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1	ZINC001573566992	947035826	/nfs/dbraw/zinc/03/58/26/947035826.db2.gz	ITYRYLBNVMLXPF-VXGBXAGGSA-N	1	0	359.459	1.559	20	30		FDEDRO
C=C1CCC(C(=O)NC[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC1	ZINC001573296317	947043586	/nfs/dbraw/zinc/04/35/86/947043586.db2.gz	MYMXHVQOVASULV-AWEZNQCLSA-N	1	0	367.457	1.951	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccccc1-c1nn[nH]n1	ZINC001573567364	947043886	/nfs/dbraw/zinc/04/38/86/947043886.db2.gz	MEYXEYAHNPIBNN-COXVUDFISA-N	1	0	365.441	1.592	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2nn[nH]n2)s1	ZINC001573567759	947054931	/nfs/dbraw/zinc/05/49/31/947054931.db2.gz	SCLALNDKSUAHPV-XQQFMLRXSA-N	1	0	371.470	1.653	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573567891	947060096	/nfs/dbraw/zinc/06/00/96/947060096.db2.gz	UMLGGJMJAQIPEW-YPMHNXCESA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@]2(CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1	ZINC001573567979	947061453	/nfs/dbraw/zinc/06/14/53/947061453.db2.gz	VWQTWXHTQOILNM-LIRRHRJNSA-N	1	0	365.441	1.451	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O	ZINC001195923443	971322514	/nfs/dbraw/zinc/32/25/14/971322514.db2.gz	BJKLZFLZVQWDKU-NFAWXSAZSA-N	1	0	352.397	1.719	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C[C@@H]2C1	ZINC001573570332	947085504	/nfs/dbraw/zinc/08/55/04/947085504.db2.gz	MSZXEVILHCISKI-BNOWGMLFSA-N	1	0	369.404	1.056	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)[C@H](C)C1	ZINC001573570202	947087620	/nfs/dbraw/zinc/08/76/20/947087620.db2.gz	LZVVNSGSQYPMRK-YWPYICTPSA-N	1	0	371.420	1.350	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC[C@@H]2C1	ZINC001573570822	947093699	/nfs/dbraw/zinc/09/36/99/947093699.db2.gz	UMXILFOJEKMHKX-XKQJLSEDSA-N	1	0	365.441	1.307	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1(C)C	ZINC001573572680	947115877	/nfs/dbraw/zinc/11/58/77/947115877.db2.gz	JIRFPBWPRAESSZ-CJNGLKHVSA-N	1	0	367.457	1.743	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC(C)(C)C1	ZINC001573573491	947121311	/nfs/dbraw/zinc/12/13/11/947121311.db2.gz	OCEZPPJLMSJAPA-STQMWFEESA-N	1	0	368.445	1.533	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CC1(C)C	ZINC001573574012	947126969	/nfs/dbraw/zinc/12/69/69/947126969.db2.gz	QGLPVOHAOHZOEG-SMDDNHRTSA-N	1	0	373.486	1.805	20	30		FDEDRO
C=CC(C)(C)CC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573307995	947185335	/nfs/dbraw/zinc/18/53/35/947185335.db2.gz	XQHBJRZRNRZEOZ-HNNXBMFYSA-N	1	0	358.446	1.036	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573584248	947216730	/nfs/dbraw/zinc/21/67/30/947216730.db2.gz	RXKMUJZRZXRQGU-DGCLKSJQSA-N	1	0	357.393	1.104	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCn2nccc21)C(C)C	ZINC000636561634	1013071611	/nfs/dbraw/zinc/07/16/11/1013071611.db2.gz	XNBRDGUYZOJFGT-SJLPKXTDSA-N	1	0	373.501	1.649	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573314773	947237148	/nfs/dbraw/zinc/23/71/48/947237148.db2.gz	GXNMZWXQEDWESA-UONOGXRCSA-N	1	0	355.446	1.689	20	30		FDEDRO
C=C[C@H](CC)CC(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C(C)C	ZINC001573315225	947244924	/nfs/dbraw/zinc/24/49/24/947244924.db2.gz	KDZGJURITQKGOF-CJNGLKHVSA-N	1	0	357.462	1.839	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCc1ccc(CNc2cc[nH+]cc2-c2nn[nH]n2)cc1	ZINC001573585480	947257181	/nfs/dbraw/zinc/25/71/81/947257181.db2.gz	PUYGOWPWNCRJGN-LBPRGKRZSA-N	1	0	362.397	1.072	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573585769	947266972	/nfs/dbraw/zinc/26/69/72/947266972.db2.gz	WBGNPEBXUZJLPP-DUVNUKRYSA-N	1	0	353.430	1.401	20	30		FDEDRO
C=CCC(C)(C)C(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1	ZINC001573320479	947347603	/nfs/dbraw/zinc/34/76/03/947347603.db2.gz	YFOFFKCQAZLMFQ-HNNXBMFYSA-N	1	0	355.446	1.593	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1c1ccc(OC)cc1	ZINC001090867035	947363774	/nfs/dbraw/zinc/36/37/74/947363774.db2.gz	XYZRRFZXQWDPSW-JKSUJKDBSA-N	1	0	353.426	1.451	20	30		FDEDRO
C=CCC1(C(=O)N2CC[C@@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)CCC1	ZINC001573326080	947366891	/nfs/dbraw/zinc/36/68/91/947366891.db2.gz	KBWWHCJXLFBZST-CQSZACIVSA-N	1	0	367.457	1.751	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@H]1c1ccc(OC)cc1	ZINC001090867221	947369595	/nfs/dbraw/zinc/36/95/95/947369595.db2.gz	DWDNFUDJLLUFEV-FUHWJXTLSA-N	1	0	351.406	1.627	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2COC(=O)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090869255	947383310	/nfs/dbraw/zinc/38/33/10/947383310.db2.gz	UKPDVPVLXWVWMG-JCGIZDLHSA-N	1	0	356.422	1.166	20	30		FDEDRO
C=CCOCC(=O)N1CCC(C)([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC001573342890	947546548	/nfs/dbraw/zinc/54/65/48/947546548.db2.gz	FZMBSKHDTISWML-UHFFFAOYSA-N	1	0	370.457	1.540	20	30		FDEDRO
C=CCOCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573343329	947553922	/nfs/dbraw/zinc/55/39/22/947553922.db2.gz	MYZAGFIIEPMAIN-WBVHZDCISA-N	1	0	370.457	1.444	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cn(CC)nn2)C[C@H]1c1ccc(OC)cc1	ZINC001090876796	947562912	/nfs/dbraw/zinc/56/29/12/947562912.db2.gz	ATCJAPUFZCWKHC-RBUKOAKNSA-N	1	0	367.453	1.067	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H]([NH2+]CC(N)=O)C1	ZINC001090877124	947566158	/nfs/dbraw/zinc/56/61/58/947566158.db2.gz	KBLPVBQIQKBVJD-DLBZAZTESA-N	1	0	359.470	1.667	20	30		FDEDRO
C=CCOCC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1	ZINC001573347066	947572263	/nfs/dbraw/zinc/57/22/63/947572263.db2.gz	ACCKIRWHMIEFMD-AWEZNQCLSA-N	1	0	373.461	1.181	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1	ZINC001573350541	947599676	/nfs/dbraw/zinc/59/96/76/947599676.db2.gz	FUIBKTZOUVYUNP-ZENOOKHLSA-N	1	0	371.445	1.102	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cn2nccc2C)C[C@H]1c1ccc(OC)cc1	ZINC001090881240	947599780	/nfs/dbraw/zinc/59/97/80/947599780.db2.gz	BOJCUZZJRVUSHK-RBUKOAKNSA-N	1	0	354.454	1.970	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2OC)C[C@H]1c1ccc(OC)cc1	ZINC001090884232	947637631	/nfs/dbraw/zinc/63/76/31/947637631.db2.gz	FPBQPHGBYACGDX-ZWKOTPCHSA-N	1	0	370.453	1.821	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCN(C(C)=O)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090884210	947637816	/nfs/dbraw/zinc/63/78/16/947637816.db2.gz	DAANKUYOTXDSSQ-YSIASYRMSA-N	1	0	369.465	1.081	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1c1ccc(OC)cc1	ZINC001090884816	947649795	/nfs/dbraw/zinc/64/97/95/947649795.db2.gz	MMQFIXDLDCPNKT-DLBZAZTESA-N	1	0	355.442	1.516	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc(OC)n2)C[C@H]1c1ccc(OC)cc1	ZINC001090885254	947660124	/nfs/dbraw/zinc/66/01/24/947660124.db2.gz	XJVCGMKGXMSIPE-PKOBYXMFSA-N	1	0	365.433	1.930	20	30		FDEDRO
CC#CCCCC(=O)NCC1(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CC1	ZINC001573359001	947677504	/nfs/dbraw/zinc/67/75/04/947677504.db2.gz	TZYLDSKCPLZQAS-UHFFFAOYSA-N	1	0	353.430	1.246	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]21	ZINC001573359370	947685669	/nfs/dbraw/zinc/68/56/69/947685669.db2.gz	ZXFBISOJNDCBIX-AEGPPILISA-N	1	0	353.430	1.048	20	30		FDEDRO
CO[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)CC[NH+]1CCCCC1	ZINC001090892264	947745677	/nfs/dbraw/zinc/74/56/77/947745677.db2.gz	FHQZGVOONNSRNL-QZTJIDSGSA-N	1	0	357.458	1.149	20	30		FDEDRO
N#CC[C@@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccccc1	ZINC001143776260	947759075	/nfs/dbraw/zinc/75/90/75/947759075.db2.gz	MRCNKHCOASOIHZ-GOSISDBHSA-N	1	0	354.454	1.450	20	30		FDEDRO
CC[NH+](CC)CC(=O)N[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H]1OC	ZINC001090896231	947804812	/nfs/dbraw/zinc/80/48/12/947804812.db2.gz	RQFCWWCHHOZJNH-VXGBXAGGSA-N	1	0	371.894	1.330	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)c2cccc(F)c2)C1	ZINC001196083105	971445559	/nfs/dbraw/zinc/44/55/59/971445559.db2.gz	LFXQVOGSZYQLKO-ZTFGCOKTSA-N	1	0	350.434	1.683	20	30		FDEDRO
CC[C@H](C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1OC)[NH+](CC)CC	ZINC001090944931	948068573	/nfs/dbraw/zinc/06/85/73/948068573.db2.gz	JWYUKNBMQZGFBC-BRWVUGGUSA-N	1	0	359.474	1.393	20	30		FDEDRO
CO[C@@H]1CN(c2nc(C)ccc2C#N)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C	ZINC001090949165	948085124	/nfs/dbraw/zinc/08/51/24/948085124.db2.gz	IXHVOBBAQODKAW-RCCFBDPRSA-N	1	0	371.485	1.456	20	30		FDEDRO
CO[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C	ZINC001090949376	948085790	/nfs/dbraw/zinc/08/57/90/948085790.db2.gz	MDDGZBJKDTUHHH-KBAYOESNSA-N	1	0	357.458	1.147	20	30		FDEDRO
Cn1cc(N2CC[C@@]3(CCC[N@H+](Cc4cncc(C#N)c4)C3)C2=O)cn1	ZINC001144079690	948198463	/nfs/dbraw/zinc/19/84/63/948198463.db2.gz	CEBKAGMBEZRAGP-LJQANCHMSA-N	1	0	350.426	1.706	20	30		FDEDRO
CC[NH+](CC)[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2cncc(C#N)n2)C1)C(C)C	ZINC001090993554	948281603	/nfs/dbraw/zinc/28/16/03/948281603.db2.gz	NTMXJJHFMGUHNM-KYJSFNMBSA-N	1	0	358.490	1.973	20	30		FDEDRO
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)Nc1ccnn1CC[NH+](C)C	ZINC000844688654	948284908	/nfs/dbraw/zinc/28/49/08/948284908.db2.gz	QDYOELIFUBLPTQ-INIZCTEOSA-N	1	0	356.430	1.514	20	30		FDEDRO
N#Cc1cccn(CN2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)c1=O	ZINC000844729475	948337232	/nfs/dbraw/zinc/33/72/32/948337232.db2.gz	NAUIZGXPENBGPO-VQTJNVASSA-N	1	0	364.449	1.653	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H](Nc2cc(C)ncc2C#N)C1	ZINC001091008336	948402085	/nfs/dbraw/zinc/40/20/85/948402085.db2.gz	YQPYOWBSLYZVMP-MZMPZRCHSA-N	1	0	361.465	1.622	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc3c2ncn3C)C1	ZINC001196115696	971486418	/nfs/dbraw/zinc/48/64/18/971486418.db2.gz	QBZJRXWUFURQOG-HZPDHXFCSA-N	1	0	359.474	1.714	20	30		FDEDRO
C=C(Br)C[NH2+]C1CC(CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1	ZINC001091033707	948555856	/nfs/dbraw/zinc/55/58/56/948555856.db2.gz	AOJPLENKLMFMOE-SARFZWSYSA-N	1	0	358.280	1.294	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC([NH2+]Cc2nnc(CC)n2C)C1	ZINC001091034061	948557897	/nfs/dbraw/zinc/55/78/97/948557897.db2.gz	XFZRRTZGFHNKJQ-FJBKBRRZSA-N	1	0	361.490	1.343	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC([NH2+]Cc2cncc(OC)n2)C1	ZINC001091034519	948558476	/nfs/dbraw/zinc/55/84/76/948558476.db2.gz	LVXVDRJSJREVKE-MMADZMRASA-N	1	0	360.458	1.451	20	30		FDEDRO
CC[C@H](C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1O)[NH+](CC)CC	ZINC001196123396	971494823	/nfs/dbraw/zinc/49/48/23/971494823.db2.gz	QDVUGDDICAGUFQ-GUDVDZBRSA-N	1	0	358.486	1.340	20	30		FDEDRO
CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NC[C@]1([NH+](C)C)CCSC1	ZINC000845023589	948610144	/nfs/dbraw/zinc/61/01/44/948610144.db2.gz	YHHCBBUKQPDIHL-SJLPKXTDSA-N	1	0	362.499	1.670	20	30		FDEDRO
CC1(C)OC[C@H](CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)O1	ZINC000845105454	948684135	/nfs/dbraw/zinc/68/41/35/948684135.db2.gz	WWTBBVLEIIEJJE-SFHVURJKSA-N	1	0	372.469	1.973	20	30		FDEDRO
C=CC[NH+](CC=C)CCN1CCN(Cc2cc[nH]c2C(=O)OCC)CC1	ZINC001144337646	948748693	/nfs/dbraw/zinc/74/86/93/948748693.db2.gz	KAUXAWTTZBMLKR-UHFFFAOYSA-N	1	0	360.502	1.983	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn(C)nc2Cl)C1	ZINC001196159888	971511493	/nfs/dbraw/zinc/51/14/93/971511493.db2.gz	CMFXEMDYBFQCMU-HUUCEWRRSA-N	1	0	356.898	1.748	20	30		FDEDRO
Cn1ncc(CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1	ZINC000845195214	948841880	/nfs/dbraw/zinc/84/18/80/948841880.db2.gz	BRILYPSQQCTASI-UHFFFAOYSA-N	1	0	353.430	1.151	20	30		FDEDRO
C=C(Cc1ccccc1)C(=O)n1ccc(=[NH+]CCN2CCOCC2)c(N)c1	ZINC001144388610	948931701	/nfs/dbraw/zinc/93/17/01/948931701.db2.gz	FAIXWJGQCGTZOF-UHFFFAOYSA-N	1	0	366.465	1.742	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nnc3c2CCCC3)C1	ZINC001196222370	971560669	/nfs/dbraw/zinc/56/06/69/971560669.db2.gz	MAQOPHVMFIRYPR-SJLPKXTDSA-N	1	0	361.490	1.065	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@@H](NC(=O)[C@H](C(C)C)[NH+]3CCCC3)[C@@H](O)C2)n1	ZINC001091111388	949292625	/nfs/dbraw/zinc/29/26/25/949292625.db2.gz	YTHCACGGFMDYPG-SQNIBIBYSA-N	1	0	371.485	1.048	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)CN(C[N@H+](C[C@@H]3CCOC3)C3CC3)C2=O)cc1	ZINC000102390247	971589447	/nfs/dbraw/zinc/58/94/47/971589447.db2.gz	LEYXYFQPDCOTAJ-KRWDZBQOSA-N	1	0	368.437	1.781	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2c(Br)nc3n2CCOC3)CC1	ZINC000857118508	971590091	/nfs/dbraw/zinc/59/00/91/971590091.db2.gz	OKBCIURBSAJHIV-UHFFFAOYSA-N	1	0	369.263	1.556	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@@H]1O	ZINC001091160591	949881387	/nfs/dbraw/zinc/88/13/87/949881387.db2.gz	DCMYLMSEAVUJLN-MNOVXSKESA-N	1	0	371.894	1.064	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1	ZINC001570962549	950032358	/nfs/dbraw/zinc/03/23/58/950032358.db2.gz	FPIUPAIVZWZIJX-CJNGLKHVSA-N	1	0	353.430	1.497	20	30		FDEDRO
CC(C)C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@H](C)C#N	ZINC001574151664	950089738	/nfs/dbraw/zinc/08/97/38/950089738.db2.gz	XNRBVBXWUISRAV-OCCSQVGLSA-N	1	0	373.436	1.786	20	30		FDEDRO
C[C@H](CNC(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1	ZINC001574982361	950163884	/nfs/dbraw/zinc/16/38/84/950163884.db2.gz	BJUYTTSRPDCEKO-SNVBAGLBSA-N	1	0	368.376	1.114	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1nc(-c2ccccn2)cs1	ZINC000845981147	950264939	/nfs/dbraw/zinc/26/49/39/950264939.db2.gz	NPXAKXRLQLXRIC-UHFFFAOYSA-N	1	0	357.439	1.215	20	30		FDEDRO
C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001574996700	950535893	/nfs/dbraw/zinc/53/58/93/950535893.db2.gz	ORIJLBUFUVXQLJ-JTQLQIEISA-N	1	0	368.376	1.114	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(F)cccc2NC(N)=O)C1	ZINC001196445741	971674669	/nfs/dbraw/zinc/67/46/69/971674669.db2.gz	LKNMLWYHUDXUNV-NILFDRSVSA-N	1	0	364.421	1.446	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)C(=O)Nc3cnsn3)CC2)c1	ZINC000846206849	950639972	/nfs/dbraw/zinc/63/99/72/950639972.db2.gz	USQAEYXOXLJOAK-UHFFFAOYSA-N	1	0	370.438	1.129	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1	ZINC000846318323	950914541	/nfs/dbraw/zinc/91/45/41/950914541.db2.gz	FIYWFECXNFZKSR-BQFCYCMXSA-N	1	0	355.438	1.351	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@@H]1CN([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1O	ZINC001196475448	971702300	/nfs/dbraw/zinc/70/23/00/971702300.db2.gz	WAMQMQCUEMJTBZ-QLFBSQMISA-N	1	0	351.491	1.149	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1CC[C@H]2CCN(c3ccc(C#N)nn3)[C@H]2C1	ZINC001091216804	950936773	/nfs/dbraw/zinc/93/67/73/950936773.db2.gz	RKJODJQOLWZQQX-RDJZCZTQSA-N	1	0	356.474	1.507	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1CC[C@H]2CCN(c3cnc(C#N)cn3)[C@H]2C1	ZINC001091216361	950998123	/nfs/dbraw/zinc/99/81/23/950998123.db2.gz	GJGHFDDQTPYHSO-RDJZCZTQSA-N	1	0	356.474	1.507	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC([NH2+]CCn2c(C)csc2=O)C1	ZINC001091243344	951141184	/nfs/dbraw/zinc/14/11/84/951141184.db2.gz	CWNYZTXIEOSNMN-FJBKBRRZSA-N	1	0	365.499	1.294	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2cnn(CC)n2)C1	ZINC001091271577	951261341	/nfs/dbraw/zinc/26/13/41/951261341.db2.gz	PLKBDRLCOYQYBJ-RLNQZENFSA-N	1	0	361.490	1.654	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CC([NH2+]CCN2CCCC2=O)C1	ZINC001091274536	951322373	/nfs/dbraw/zinc/32/23/73/951322373.db2.gz	UAZYNWUTUIYGKT-AKSNENBUSA-N	1	0	363.502	1.465	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1	ZINC001571018174	951343279	/nfs/dbraw/zinc/34/32/79/951343279.db2.gz	CEAUVOGQBRNIPV-COXVUDFISA-N	1	0	365.441	1.592	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(c3ccc(F)cc3OC)CC2)CC1	ZINC000115126233	971747472	/nfs/dbraw/zinc/74/74/72/971747472.db2.gz	VMAKXSANYJEKHB-UHFFFAOYSA-N	1	0	359.445	1.828	20	30		FDEDRO
C=CCNc1ncc(C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)s1	ZINC000846640543	951429943	/nfs/dbraw/zinc/42/99/43/951429943.db2.gz	XDXIIJHPRQQPSJ-UHFFFAOYSA-N	1	0	351.520	1.887	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1)[NH+]1CCCCC1	ZINC000846725729	951495531	/nfs/dbraw/zinc/49/55/31/951495531.db2.gz	OGYSIEGAGYZBDH-YJBOKZPZSA-N	1	0	372.469	1.041	20	30		FDEDRO
COc1cccc(C[C@H]([NH3+])C(=O)N2CCN(c3ccccc3C#N)CC2)c1	ZINC001144933981	951537558	/nfs/dbraw/zinc/53/75/58/951537558.db2.gz	YJGWKTSHHPDJIZ-IBGZPJMESA-N	1	0	364.449	1.785	20	30		FDEDRO
COC(=O)c1cc(C#N)cc(NC(=O)[C@H]([NH3+])Cc2cccc(OC)c2)c1	ZINC001144941330	951572355	/nfs/dbraw/zinc/57/23/55/951572355.db2.gz	IYKYZERUKRDPSL-QGZVFWFLSA-N	1	0	353.378	1.862	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+](C)C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1=O	ZINC000846892887	951682222	/nfs/dbraw/zinc/68/22/22/951682222.db2.gz	XSVJZUTWMOSVTP-KBXCAEBGSA-N	1	0	353.463	1.077	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCC(C[NH+]2CCN(C(=O)CC#N)CC2)CC1	ZINC000846958292	951729694	/nfs/dbraw/zinc/72/96/94/951729694.db2.gz	SCGYGXHUQXTKMZ-UHFFFAOYSA-N	1	0	350.463	1.691	20	30		FDEDRO
N#Cc1cccnc1C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001196555039	971773174	/nfs/dbraw/zinc/77/31/74/971773174.db2.gz	TUCUEVOUDMHDHB-ROUUACIJSA-N	1	0	363.421	1.464	20	30		FDEDRO
C#C[C@H]1CCC[N@@H+](CC(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)C1	ZINC000847021706	951774669	/nfs/dbraw/zinc/77/46/69/951774669.db2.gz	AYOOKWLHEVSYCY-ROUUACIJSA-N	1	0	359.514	1.829	20	30		FDEDRO
C[C@]12CN(C(=O)C3=COCCO3)C[C@H]1C[N@H+](Cc1ccc(F)c(C#N)c1)C2	ZINC001091456055	951839366	/nfs/dbraw/zinc/83/93/66/951839366.db2.gz	PZBJHMZMFYJEJJ-UZLBHIALSA-N	1	0	371.412	1.866	20	30		FDEDRO
C[C@]12CN(C(=O)C3=COCCO3)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001091456030	951839891	/nfs/dbraw/zinc/83/98/91/951839891.db2.gz	OOKSAUMQAWTZCP-XLIONFOSSA-N	1	0	353.422	1.727	20	30		FDEDRO
C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]Cc1ccc(C#N)cc1	ZINC001575102018	951866477	/nfs/dbraw/zinc/86/64/77/951866477.db2.gz	KMNZKUJTQWHEMH-GFCCVEGCSA-N	1	0	364.413	1.222	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@@H+]1C[C@@H]2CN(C(=O)c3cc[nH]n3)C[C@]2(C)C1	ZINC001091500246	951887237	/nfs/dbraw/zinc/88/72/37/951887237.db2.gz	TXBCJAIRPNVIQX-UZLBHIALSA-N	1	0	365.437	1.884	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001091539820	951971063	/nfs/dbraw/zinc/97/10/63/951971063.db2.gz	SWFGBJVFZQXCTA-HLIPFELVSA-N	1	0	352.438	1.117	20	30		FDEDRO
Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@]3(C)C2)n1	ZINC001091574186	952110254	/nfs/dbraw/zinc/11/02/54/952110254.db2.gz	ABMXFQYNHANESM-APWZRJJASA-N	1	0	367.457	1.189	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N2CC3(C2)C[NH+](Cc2ccccc2)C3)cc1	ZINC001171279125	952119845	/nfs/dbraw/zinc/11/98/45/952119845.db2.gz	RCMALXWQHVGSGC-UHFFFAOYSA-N	1	0	374.444	1.632	20	30		FDEDRO
C[NH+](C)CCOCC(=O)NC[C@H]1CC[C@@H](Nc2cccc(F)c2C#N)C1	ZINC001091592838	952182244	/nfs/dbraw/zinc/18/22/44/952182244.db2.gz	BGLNDFIQVNKVDL-LSDHHAIUSA-N	1	0	362.449	1.972	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)NC[C@H]2CC[C@@H](Nc3ccc(C#N)cn3)C2)CC1	ZINC001091599847	952215378	/nfs/dbraw/zinc/21/53/78/952215378.db2.gz	MKJZIRLNFYWHMH-DOTOQJQBSA-N	1	0	371.485	1.761	20	30		FDEDRO
CCn1nnc(C)c1C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@]2(C)C1	ZINC001091607350	952256820	/nfs/dbraw/zinc/25/68/20/952256820.db2.gz	XNEURIPQTUZHNS-KUHUBIRLSA-N	1	0	367.457	1.400	20	30		FDEDRO
C[C@H](c1cnccn1)[N@@H+]1C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@]2(C)C1	ZINC001091612923	952287549	/nfs/dbraw/zinc/28/75/49/952287549.db2.gz	IDPLQSWAQYNUHI-MUKKUYKPSA-N	1	0	350.426	1.831	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[C@@H](Nc2cnc(C#N)cn2)C1	ZINC001091646860	952485821	/nfs/dbraw/zinc/48/58/21/952485821.db2.gz	YCNGJYRXKZDOHH-ZMSDIMECSA-N	1	0	356.474	1.919	20	30		FDEDRO
COc1cccc([C@@H](O)C[N@@H+]2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]3(C)C2)c1	ZINC001091655767	952517386	/nfs/dbraw/zinc/51/73/86/952517386.db2.gz	OYZZCXFJMRCRJU-CBQOVEMMSA-N	1	0	368.477	1.922	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN3C(=O)C(C)(C)C)C[C@]2(C)C1	ZINC001091695278	952651118	/nfs/dbraw/zinc/65/11/18/952651118.db2.gz	GSWGWRWCULDSPL-LZJOCLMNSA-N	1	0	359.514	1.827	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](CNc2ccncc2C#N)C1	ZINC001091690255	952662778	/nfs/dbraw/zinc/66/27/78/952662778.db2.gz	GPIZENLFXCIJCI-WBVHZDCISA-N	1	0	355.486	1.756	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCOC[C@@H]1CCCO1)C2	ZINC001148310743	952679417	/nfs/dbraw/zinc/67/94/17/952679417.db2.gz	MMIQXCYARMQVHO-KSZLIROESA-N	1	0	364.486	1.307	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)C(=O)NCCC)C2	ZINC001148423901	952726795	/nfs/dbraw/zinc/72/67/95/952726795.db2.gz	FSUCGDWFTTZUAB-ULQDDVLXSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2C[N@@H+]([C@H]3CCN(CC)C3=O)C[C@@]2(C)C1	ZINC001091740969	952770444	/nfs/dbraw/zinc/77/04/44/952770444.db2.gz	TYRJYSLIFOVSHH-MMOPVJDHSA-N	1	0	370.497	1.689	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3OCCO[C@@H]3c3ccccc3)C[C@]2(C)C1	ZINC001091754122	952813733	/nfs/dbraw/zinc/81/37/33/952813733.db2.gz	DVCXCANFRYNQCT-VMBXEPDQSA-N	1	0	368.477	1.947	20	30		FDEDRO
C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3c3ccnn3CC)C[C@]2(C)C1	ZINC001091754239	952814834	/nfs/dbraw/zinc/81/48/34/952814834.db2.gz	KQKGSTCTPZNDCG-CIWUYKSXSA-N	1	0	358.486	1.947	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNC(=O)c1cnccn1)C2	ZINC001110122307	952836796	/nfs/dbraw/zinc/83/67/96/952836796.db2.gz	IHOWUVDBAPCWTM-DFGXFYAUSA-N	1	0	371.485	1.673	20	30		FDEDRO
C[C@]12CN(C(=O)c3cn[nH]c(=O)c3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001091762461	952844247	/nfs/dbraw/zinc/84/42/47/952844247.db2.gz	KPRNKHVKEHKNKC-XLIONFOSSA-N	1	0	363.421	1.648	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cn(CC)cn3)C2)C1=O	ZINC001086854634	952872886	/nfs/dbraw/zinc/87/28/86/952872886.db2.gz	IJYQAOJPFYNVOV-ARFHVFGLSA-N	1	0	359.474	1.178	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H]3CCCN(C)C3=O)C2)nc1	ZINC001086857142	952903930	/nfs/dbraw/zinc/90/39/30/952903930.db2.gz	MSTNREYMHJKCCE-LZLYRXPVSA-N	1	0	354.454	1.172	20	30		FDEDRO
C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C2)CC1	ZINC001086942043	952944930	/nfs/dbraw/zinc/94/49/30/952944930.db2.gz	HGIHJDRJSXYJFC-YESZJQIVSA-N	1	0	363.502	1.511	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccc(F)cn2)C1	ZINC001086970653	952971870	/nfs/dbraw/zinc/97/18/70/952971870.db2.gz	CEEIPLGWUIOBDB-OAUYIBNBSA-N	1	0	356.405	1.198	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2[NH2+]CC2CCC2)cn1	ZINC001086975630	952985433	/nfs/dbraw/zinc/98/54/33/952985433.db2.gz	XHEJWVHEPCDCJT-FUHWJXTLSA-N	1	0	352.442	1.618	20	30		FDEDRO
Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1cnn(C)c1	ZINC001086978600	952990991	/nfs/dbraw/zinc/99/09/91/952990991.db2.gz	FSPWOBBFECOIHX-DLBZAZTESA-N	1	0	353.426	1.214	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccnn2CC2CCC2)C[C@H]1c1cnn(C)c1	ZINC001086979346	952992750	/nfs/dbraw/zinc/99/27/50/952992750.db2.gz	WGLAJOUTWBUXBH-ZWKOTPCHSA-N	1	0	366.469	1.248	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2cnn3ccccc23)C[C@H]1c1cnn(C)c1	ZINC001086982868	952996202	/nfs/dbraw/zinc/99/62/02/952996202.db2.gz	IZRUMQBIMDRGQC-ZWKOTPCHSA-N	1	0	364.453	1.381	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(F)(F)F)no2)C[C@H]1c1cnn(C)c1	ZINC001086983176	952996568	/nfs/dbraw/zinc/99/65/68/952996568.db2.gz	ABYXRWMWXWQFNN-NWDGAFQWSA-N	1	0	367.331	1.258	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc(C)nc3C2)C[C@H]1c1cnn(C)c1	ZINC001086984706	952999594	/nfs/dbraw/zinc/99/95/94/952999594.db2.gz	YXTPBLSWBWBQMG-BPQIPLTHSA-N	1	0	368.485	1.258	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cnn3c2OCCC3)C[C@H]1c1cnn(C)c1	ZINC001086985914	953004366	/nfs/dbraw/zinc/00/43/66/953004366.db2.gz	LCDHBGVBTGDTCH-DLBZAZTESA-N	1	0	370.457	1.173	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[N@H+](CCCCCOC)C[C@H]2O)cc1	ZINC001196726071	971887549	/nfs/dbraw/zinc/88/75/49/971887549.db2.gz	NYFKGXIEMOWPDQ-RTBURBONSA-N	1	0	360.454	1.290	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCc2ccc(OC)nc2)C[C@H]1c1cnn(C)c1	ZINC001086987424	953009520	/nfs/dbraw/zinc/00/95/20/953009520.db2.gz	ROKMYALUGUZXOM-ZWKOTPCHSA-N	1	0	369.469	1.527	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2sc(C)nc2C)C[C@H]1c1cnn(C)c1	ZINC001086988526	953012641	/nfs/dbraw/zinc/01/26/41/953012641.db2.gz	AQUCEXNXQXDPHD-JKSUJKDBSA-N	1	0	359.499	1.806	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C)n(C(F)F)n2)C[C@H]1c1cnn(C)c1	ZINC001086981044	953031473	/nfs/dbraw/zinc/03/14/73/953031473.db2.gz	LUVOCEYLXHFXPL-DZGCQCFKSA-N	1	0	364.400	1.704	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2c(C3CC3)cnn2C)C[C@H]1c1cnn(C)c1	ZINC001086981379	953032470	/nfs/dbraw/zinc/03/24/70/953032470.db2.gz	GKGXDNBHWBDFBC-ZWKOTPCHSA-N	1	0	368.485	1.805	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2c(C)cccc2C)C[C@H]1c1cnn(C)c1	ZINC001086981703	953033264	/nfs/dbraw/zinc/03/32/64/953033264.db2.gz	YUYZTXKDCORZGC-VQTJNVASSA-N	1	0	350.466	1.797	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2[nH]ncc2C(F)(F)F)C[C@H]1c1cnn(C)c1	ZINC001086982213	953034787	/nfs/dbraw/zinc/03/47/87/953034787.db2.gz	YWESNGWCIJFKJH-WCQYABFASA-N	1	0	368.363	1.546	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2ccnc(OC)c2)C[C@H]1c1cnn(C)c1	ZINC001086996897	953038601	/nfs/dbraw/zinc/03/86/01/953038601.db2.gz	AFROSNVBXCVCMI-ZWKOTPCHSA-N	1	0	369.469	1.527	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2nn(C)c(C)c2Cl)C[C@H]1c1cnn(C)c1	ZINC001087000185	953049257	/nfs/dbraw/zinc/04/92/57/953049257.db2.gz	KETHUCPVXFQFAS-UONOGXRCSA-N	1	0	362.865	1.499	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2cccnc2)C[C@H]1c1cnn(C)c1	ZINC001087000662	953051462	/nfs/dbraw/zinc/05/14/62/953051462.db2.gz	IBMJGTGGJKQRQC-AYOQOUSVSA-N	1	0	351.454	1.526	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCOc3ccccc32)C[C@H]1c1cnn(C)c1	ZINC001087001679	953055898	/nfs/dbraw/zinc/05/58/98/953055898.db2.gz	JAITVRDLQIIXLR-CEXWTWQISA-N	1	0	364.449	1.504	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2ccccc2F)C[C@H]1c1cnn(C)c1	ZINC001087002833	953058494	/nfs/dbraw/zinc/05/84/94/953058494.db2.gz	STTXMHRGCBBEGA-DKSSEZFCSA-N	1	0	354.429	1.880	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(CCCC)nc2C)C[C@H]1c1cnn(C)c1	ZINC001087005321	953064187	/nfs/dbraw/zinc/06/41/87/953064187.db2.gz	XJAXDDZTQGNNSJ-RBUKOAKNSA-N	1	0	368.485	1.556	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@H]1c1cnn(C)c1	ZINC001087005666	953065430	/nfs/dbraw/zinc/06/54/30/953065430.db2.gz	NQQGKXNGQCBAAE-JKSUJKDBSA-N	1	0	356.474	1.581	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cncn2C)C1	ZINC001086995022	953066453	/nfs/dbraw/zinc/06/64/53/953066453.db2.gz	IETHLTQBPIOUGD-NLWGTHIKSA-N	1	0	370.501	1.840	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)cc2OC)C[C@H]1c1cnn(C)c1	ZINC001087006026	953089667	/nfs/dbraw/zinc/08/96/67/953089667.db2.gz	FSUZQHJDGKXVIF-ZWKOTPCHSA-N	1	0	352.438	1.568	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc3c(c2)COC3)C[C@H]1c1cnn(C)c1	ZINC001087007090	953091771	/nfs/dbraw/zinc/09/17/71/953091771.db2.gz	LXXOSFUWJHGPAQ-VQTJNVASSA-N	1	0	364.449	1.210	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c3ncccc23)C[C@H]1c1cnn(C)c1	ZINC001087009722	953099416	/nfs/dbraw/zinc/09/94/16/953099416.db2.gz	USZAYKBTFKOXFZ-DLBZAZTESA-N	1	0	350.426	1.680	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3cccc(C)c3O2)C[C@H]1c1cnn(C)c1	ZINC001087012710	953107869	/nfs/dbraw/zinc/10/78/69/953107869.db2.gz	LYCXYRUSLMJRHP-OTWHNJEPSA-N	1	0	366.465	1.802	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccnc2OC(C)C)C[C@H]1c1cnn(C)c1	ZINC001087012970	953108387	/nfs/dbraw/zinc/10/83/87/953108387.db2.gz	YCYQTMFQQCVQNP-ZWKOTPCHSA-N	1	0	369.469	1.986	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccon2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087030676	953125282	/nfs/dbraw/zinc/12/52/82/953125282.db2.gz	UESCERBVPQHKDN-SJLPKXTDSA-N	1	0	354.410	1.813	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1nn(C)cc1Cl	ZINC001087035752	953145748	/nfs/dbraw/zinc/14/57/48/953145748.db2.gz	LPOMSQAWFRSQNB-LALPHHSUSA-N	1	0	353.854	1.186	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]CC1CCOCC1	ZINC001087039846	953155722	/nfs/dbraw/zinc/15/57/22/953155722.db2.gz	GRFKIFSSBWGKGP-SJLPKXTDSA-N	1	0	360.458	1.380	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+][C@@H](C)c1ncccn1	ZINC001087039773	953155755	/nfs/dbraw/zinc/15/57/55/953155755.db2.gz	DEXJWACFCNBNIX-YSVLISHTSA-N	1	0	368.441	1.504	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]C[C@H]1CCCCO1	ZINC001087040057	953156673	/nfs/dbraw/zinc/15/66/73/953156673.db2.gz	PQMHMPJASNKHNQ-JFIYKMOQSA-N	1	0	360.458	1.522	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087053522	953186306	/nfs/dbraw/zinc/18/63/06/953186306.db2.gz	UNBBEGJNDSGJCF-WOJBJXKFSA-N	1	0	351.450	1.925	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]CC1CCOCC1	ZINC001087046349	953193633	/nfs/dbraw/zinc/19/36/33/953193633.db2.gz	ZSUXBBIOVGAZQE-CRAIPNDOSA-N	1	0	360.458	1.380	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+][C@H](C)c1ncccn1	ZINC001087046919	953195092	/nfs/dbraw/zinc/19/50/92/953195092.db2.gz	IBCAOJYFKHFXOY-FRFSOERESA-N	1	0	368.441	1.504	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H]3CCCNC3=O)[C@H](OCC)C2)cc1	ZINC001087071492	953226122	/nfs/dbraw/zinc/22/61/22/953226122.db2.gz	SLLMENDMPJXWIZ-CEXWTWQISA-N	1	0	369.465	1.013	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H]2CCN(CC)C2=O)[C@H](OCC)C1	ZINC001087071774	953226422	/nfs/dbraw/zinc/22/64/22/953226422.db2.gz	CSGLHLWTIPJOEO-BZUAXINKSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C2CC2)[C@H](OCC)C1	ZINC001087072642	953227351	/nfs/dbraw/zinc/22/73/51/953227351.db2.gz	QWWJFEPJIBSQNK-UKRRQHHQSA-N	1	0	362.478	1.173	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+][C@@H](C)c3nnnn3C)[C@H](OCC)C2)C1	ZINC001087082221	953240793	/nfs/dbraw/zinc/24/07/93/953240793.db2.gz	BKVGTUAAJWTILE-RRFJBIMHSA-N	1	0	362.478	1.081	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnc(C)o2)[C@H](OCC)C1	ZINC001087085813	953247199	/nfs/dbraw/zinc/24/71/99/953247199.db2.gz	YZDCCTRTDJMOFZ-NRSFXHEJSA-N	1	0	363.458	1.527	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3cn(C)nn3)[C@H](OCC)C2)CC1	ZINC001087079390	953264108	/nfs/dbraw/zinc/26/41/08/953264108.db2.gz	NHMIRLVHTRROJJ-SJLPKXTDSA-N	1	0	361.490	1.515	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](C[NH2+]Cc2nonc2C)[C@H](OCC)C1	ZINC001087080075	953265292	/nfs/dbraw/zinc/26/52/92/953265292.db2.gz	SVOWEXNCQNGHAM-QGPMSJSTSA-N	1	0	350.463	1.933	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2nonc2C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087104050	953277167	/nfs/dbraw/zinc/27/71/67/953277167.db2.gz	MYONAYCFXBVTHQ-IAGOWNOFSA-N	1	0	369.425	1.517	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@H]3C[N@@H+]([C@H](CC)C(N)=O)C[C@@]3(C)C2)cc1	ZINC001091793490	953316931	/nfs/dbraw/zinc/31/69/31/953316931.db2.gz	ICNKEXSFIABLMI-BLIXFSHQSA-N	1	0	371.481	1.909	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cn4c(n3)C[C@H](OC)CC4)C[C@]2(C)C1	ZINC001091779739	953354126	/nfs/dbraw/zinc/35/41/26/953354126.db2.gz	HXLZVJKMMDEKOB-QINHECLXSA-N	1	0	356.470	1.262	20	30		FDEDRO
CCCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCCS2(=O)=O)C1	ZINC001196819315	971942590	/nfs/dbraw/zinc/94/25/90/971942590.db2.gz	GIJOYXGEASMLEV-BFYDXBDKSA-N	1	0	360.520	1.085	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1C[C@H]2CCN(c3nc(C)ccc3C#N)C[C@H]2C1	ZINC001091855026	953551886	/nfs/dbraw/zinc/55/18/86/953551886.db2.gz	OWOLWAFXTRGMJJ-MSOLQXFVSA-N	1	0	355.486	1.888	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1C[C@H]2CCN(c3nc(C)ccc3C#N)C[C@H]2C1	ZINC001091858627	953577014	/nfs/dbraw/zinc/57/70/14/953577014.db2.gz	VEWCWFUJDKVTDE-MSOLQXFVSA-N	1	0	355.486	1.888	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1C[C@H]2CCN(c3ncccc3C#N)C[C@H]2C1	ZINC001091859507	953580921	/nfs/dbraw/zinc/58/09/21/953580921.db2.gz	KPJKYHXZJDHMHO-MSOLQXFVSA-N	1	0	355.486	1.970	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CCN(c3ncccc3C#N)C[C@H]2C1	ZINC001091865075	953608497	/nfs/dbraw/zinc/60/84/97/953608497.db2.gz	CSFWOJSJKRYTJS-SJORKVTESA-N	1	0	355.486	1.968	20	30		FDEDRO
CN1CC[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@@]3(C)C2)C1=O	ZINC001091930480	953724155	/nfs/dbraw/zinc/72/41/55/953724155.db2.gz	HYVIRIHLKIIRAB-LQWHRVPQSA-N	1	0	366.465	1.317	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4nnn(C)c4C3)C[C@]2(C)C1	ZINC001091956831	953849312	/nfs/dbraw/zinc/84/93/12/953849312.db2.gz	PUDZUZKNZIBYQI-QINHECLXSA-N	1	0	357.502	1.667	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCN(c2ccc(C#N)nc2)[C@@H]1C	ZINC001091973111	953960596	/nfs/dbraw/zinc/96/05/96/953960596.db2.gz	WOKIERVIIGZKNP-RKVPGOIHSA-N	1	0	357.458	1.005	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@H]1CCN(c2cncc(C#N)n2)[C@@H]1C)[NH+]1CCCC1	ZINC001091979946	953977427	/nfs/dbraw/zinc/97/74/27/953977427.db2.gz	YPQUMNJPGAOFEO-HFTRVMKXSA-N	1	0	356.474	1.552	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)[C@@H]1C)[NH+]1CCCCC1	ZINC001091979852	953977456	/nfs/dbraw/zinc/97/74/56/953977456.db2.gz	VCLYUWPDDIFKRU-AYBZRNKSSA-N	1	0	370.501	1.942	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CCN1c1cnc(C#N)cn1	ZINC001092028589	954125296	/nfs/dbraw/zinc/12/52/96/954125296.db2.gz	FLDXWTQXBYHKQI-WBVHZDCISA-N	1	0	370.501	1.944	20	30		FDEDRO
C[C@H](COCC(=O)N[C@H]1CCN(c2ccc(C#N)cn2)[C@@H]1C)[NH+]1CCCC1	ZINC001092051289	954139696	/nfs/dbraw/zinc/13/96/96/954139696.db2.gz	SUHSIVFHNBZPMJ-NUJGCVRESA-N	1	0	371.485	1.538	20	30		FDEDRO
C[C@@H](COCC(=O)N[C@H]1CCN(c2ncccc2C#N)[C@@H]1C)[NH+]1CCCC1	ZINC001092051470	954141745	/nfs/dbraw/zinc/14/17/45/954141745.db2.gz	XNINXDFWFOAESA-JZXOWHBKSA-N	1	0	371.485	1.538	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)CCN1c1ncccc1C#N	ZINC001092061124	954175694	/nfs/dbraw/zinc/17/56/94/954175694.db2.gz	KGHHHHBTDYEEBH-WBVHZDCISA-N	1	0	371.485	1.395	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc(S(C)(=O)=O)o3)C[C@]2(C)C1	ZINC001092064364	954189606	/nfs/dbraw/zinc/18/96/06/954189606.db2.gz	SDEMRLJGCBLEAM-DYVFJYSZSA-N	1	0	350.440	1.100	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@]3(C)CCCS3(=O)=O)C[C@]2(C)C1	ZINC001092091584	954256632	/nfs/dbraw/zinc/25/66/32/954256632.db2.gz	IXDHUMKGVCTSQS-NJAFHUGGSA-N	1	0	354.516	1.700	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)CCn4cccc4)C[C@]3(C)C2)C1=O	ZINC001092137427	954441509	/nfs/dbraw/zinc/44/15/09/954441509.db2.gz	JGJQXNZKEWCQNE-LQWHRVPQSA-N	1	0	370.497	1.445	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cnc(OCC4CC4)cn3)C[C@]2(C)C1	ZINC001092195493	954506833	/nfs/dbraw/zinc/50/68/33/954506833.db2.gz	QOQHZVOWYXDZNA-UZLBHIALSA-N	1	0	354.454	1.683	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@@]2(C)C1	ZINC001092232452	954579038	/nfs/dbraw/zinc/57/90/38/954579038.db2.gz	MPAIGDMCCUWNGR-KNKQGSTJSA-N	1	0	365.477	1.221	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+](Cc4cnc(C)nc4)C[C@@]3(C)C2)cn1	ZINC001092211564	954619220	/nfs/dbraw/zinc/61/92/20/954619220.db2.gz	ILXWRNIQWNCAEH-NQIIRXRSSA-N	1	0	361.449	1.755	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+](CCc4cnn(C)c4)C[C@@]3(C)C2)nc1	ZINC001092211790	954619398	/nfs/dbraw/zinc/61/93/98/954619398.db2.gz	NGTWBNGUSAQLLM-NQIIRXRSSA-N	1	0	363.465	1.433	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)Cn3c(=O)oc4ccccc43)C[C@]2(C)C1	ZINC001092267435	954637690	/nfs/dbraw/zinc/63/76/90/954637690.db2.gz	ZRTVYKBHBMYDKU-QRWLVFNGSA-N	1	0	353.422	1.398	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1C[C@H]2CN(c3cncc(C#N)n3)C[C@@]2(C)C1	ZINC001092297439	954733810	/nfs/dbraw/zinc/73/38/10/954733810.db2.gz	LBJLWBXNXALNLH-BEFAXECRSA-N	1	0	356.474	1.365	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(Cc4ccon4)C[C@@]3(C)C2)CC1	ZINC001092299736	954745440	/nfs/dbraw/zinc/74/54/40/954745440.db2.gz	FWWDTONORUJDIY-XLIONFOSSA-N	1	0	356.470	1.300	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc4c(c3)[nH]c(=O)n4C)C[C@]2(C)C1	ZINC001092304914	954767996	/nfs/dbraw/zinc/76/79/96/954767996.db2.gz	RQAUXMDPELSFSW-QRWLVFNGSA-N	1	0	352.438	1.696	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@H]3C(=O)Nc4ccccc43)C[C@]2(C)C1	ZINC001092317356	954823611	/nfs/dbraw/zinc/82/36/11/954823611.db2.gz	KVULSIVKJUECJE-CEQIKUNHSA-N	1	0	351.450	1.916	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)CCC3CCN(C(C)=O)CC3)C[C@]2(C)C1	ZINC001092291779	954890152	/nfs/dbraw/zinc/89/01/52/954890152.db2.gz	JWZFVGZBUUCBAD-CTNGQTDRSA-N	1	0	359.514	1.829	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H]2CN(C(=O)C3CCN(C(=O)CCC)CC3)C[C@]2(C)C1	ZINC001092296486	954908630	/nfs/dbraw/zinc/90/86/30/954908630.db2.gz	IKZUBQBCHLXSHR-NQIIRXRSSA-N	1	0	359.514	1.829	20	30		FDEDRO
Cc1cc(N2C[C@@H](CNC(=O)C[C@H]3CC[N@H+](C)C3)[C@H](C)C2)c(C#N)cn1	ZINC001092384851	954982946	/nfs/dbraw/zinc/98/29/46/954982946.db2.gz	LOHCJMJHOGEOTO-QGPMSJSTSA-N	1	0	355.486	1.792	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CNC(=O)CCC[NH+]1CCCC1	ZINC001092374384	955048417	/nfs/dbraw/zinc/04/84/17/955048417.db2.gz	FKCSRPHDWRNEGF-HZPDHXFCSA-N	1	0	356.474	1.413	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](CNC(=O)CC[NH+]3CCCCC3)[C@H](C)C2)n1	ZINC001092374045	955048581	/nfs/dbraw/zinc/04/85/81/955048581.db2.gz	CBYNUJUWBRDKFU-NVXWUHKLSA-N	1	0	370.501	1.721	20	30		FDEDRO
CC[C@H](C(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C)[NH+](CC)CC	ZINC001092441533	955106850	/nfs/dbraw/zinc/10/68/50/955106850.db2.gz	BUVIEFGVYGGHBQ-BFYDXBDKSA-N	1	0	358.490	1.657	20	30		FDEDRO
C[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1CNC(=O)C[N@@H+]1CCC[C@@H]1C	ZINC001092444819	955116511	/nfs/dbraw/zinc/11/65/11/955116511.db2.gz	JHDODJIUIOPODW-IJEWVQPXSA-N	1	0	359.449	1.765	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CN(c3ncc(C#N)cc3F)C[C@H]2C)C1	ZINC001092444870	955117872	/nfs/dbraw/zinc/11/78/72/955117872.db2.gz	KHKWZFZWXXVWRG-IIAWOOMASA-N	1	0	359.449	1.623	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)c1cc[n+]([O-])cc1	ZINC001092445217	955118774	/nfs/dbraw/zinc/11/87/74/955118774.db2.gz	DNXSHASKYYXMDH-DNVCBOLYSA-N	1	0	350.422	1.690	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)[C@H]1CCCO1	ZINC001092448970	955134835	/nfs/dbraw/zinc/13/48/35/955134835.db2.gz	KKVMSGBKBMKHJJ-SZVBFZGTSA-N	1	0	357.454	1.952	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)c1cnn(C)c1	ZINC001092455229	955164273	/nfs/dbraw/zinc/16/42/73/955164273.db2.gz	ZOPGXISJNSIWMO-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
Cc1nc(N2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3CCC[N@@H+]3C)C2)ccc1C#N	ZINC001092484123	955239114	/nfs/dbraw/zinc/23/91/14/955239114.db2.gz	CXJTUBVANVSCBF-OLMNPRSZSA-N	1	0	355.486	1.935	20	30		FDEDRO
C=C(Br)CN1C[C@@H](CNC(=O)c2cn(C)nc2C)[C@H](C)C1	ZINC001092511178	955292215	/nfs/dbraw/zinc/29/22/15/955292215.db2.gz	KSFMUUKMIXHKKQ-ZWNOBZJWSA-N	1	0	355.280	1.935	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)c3ncoc3CC)[C@H](C)C2)C1=O	ZINC001092517353	955302436	/nfs/dbraw/zinc/30/24/36/955302436.db2.gz	IPQLNLMEYORIFV-KFWWJZLASA-N	1	0	360.458	1.322	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](CCNC(=O)[C@H](C3CC3)[NH+](C)C)C2)n1	ZINC001092550332	955397392	/nfs/dbraw/zinc/39/73/92/955397392.db2.gz	UNKZWMLSQFPNEP-QBIMZIAESA-N	1	0	370.501	1.576	20	30		FDEDRO
C[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC001092551185	955402582	/nfs/dbraw/zinc/40/25/82/955402582.db2.gz	OVFKYFXYMNJHQB-LBTNJELSSA-N	1	0	369.469	1.337	20	30		FDEDRO
CCn1nnc(C)c1C[N@H+]1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)[C@H](C)C1	ZINC001092553270	955416473	/nfs/dbraw/zinc/41/64/73/955416473.db2.gz	LXRSUPYYRLTGBO-IUODEOHRSA-N	1	0	355.446	1.304	20	30		FDEDRO
C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1	ZINC001197141929	972097196	/nfs/dbraw/zinc/09/71/96/972097196.db2.gz	PMUDZPHVKNZPAD-MSOLQXFVSA-N	1	0	363.502	1.657	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CCNC(=O)C[NH+]1CCC(C)CC1	ZINC001092541052	955538072	/nfs/dbraw/zinc/53/80/72/955538072.db2.gz	XGIYOUWJUDHFTN-IAGOWNOFSA-N	1	0	370.501	1.659	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)nc3c2cnn3C)C1	ZINC001197181746	972110450	/nfs/dbraw/zinc/11/04/50/972110450.db2.gz	PKUSRSBXQQZREJ-QZTJIDSGSA-N	1	0	371.485	1.798	20	30		FDEDRO
COc1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)ncn1	ZINC001092609833	955664279	/nfs/dbraw/zinc/66/42/79/955664279.db2.gz	KUOJGVWNNLLBAT-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](CCNC(=O)C[N@H+]3CC[C@H](C)C3)C2)n1	ZINC001092584064	955730403	/nfs/dbraw/zinc/73/04/03/955730403.db2.gz	FLSAUBUAQWHSSK-ZMSDIMECSA-N	1	0	370.501	1.577	20	30		FDEDRO
Cc1cc(C#N)nc(NCC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C)n1	ZINC001092615715	955824656	/nfs/dbraw/zinc/82/46/56/955824656.db2.gz	POSCLVCNVXIKRM-GDBMZVCRSA-N	1	0	358.490	1.893	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)[C@]12C[C@H]1COC2	ZINC001092624971	955873785	/nfs/dbraw/zinc/87/37/85/955873785.db2.gz	VEMROZYKAQSBRL-OCQZMCQHSA-N	1	0	356.441	1.898	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)[C@H]1CC(=O)N(C)C1	ZINC001092655095	955907834	/nfs/dbraw/zinc/90/78/34/955907834.db2.gz	KTNAPDTUQWOOPP-HZSPNIEDSA-N	1	0	360.483	1.282	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](CCOC[C@@H]2CCCO2)CC1	ZINC001197195944	972137609	/nfs/dbraw/zinc/13/76/09/972137609.db2.gz	OAYCXWKOSGLUPO-KSZLIROESA-N	1	0	352.475	1.307	20	30		FDEDRO
Cc1cc(C#N)nc(NC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2C)n1	ZINC001092656674	955915209	/nfs/dbraw/zinc/91/52/09/955915209.db2.gz	RMSGAAQUNXKFBW-GDBMZVCRSA-N	1	0	358.490	1.895	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1C	ZINC001092676524	955990392	/nfs/dbraw/zinc/99/03/92/955990392.db2.gz	CDCHGVDUISNQKU-IAGOWNOFSA-N	1	0	358.486	1.594	20	30		FDEDRO
CC[NH+](CC)CC(=O)NC[C@]12CCC[C@H]1N(c1ccnc(C#N)n1)CC2	ZINC001092698396	956075747	/nfs/dbraw/zinc/07/57/47/956075747.db2.gz	VGMVVFSRQOQMDS-DNVCBOLYSA-N	1	0	356.474	1.555	20	30		FDEDRO
CCC[N@H+](C)CC(=O)NC[C@]12CCC[C@H]1N(c1cnc(C#N)cn1)CC2	ZINC001092700682	956090091	/nfs/dbraw/zinc/09/00/91/956090091.db2.gz	HWTPNBYSXRCEPL-VQIMIIECSA-N	1	0	356.474	1.555	20	30		FDEDRO
CC(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1N(c1nccnc1C#N)CC2)[NH+](C)C	ZINC001092700946	956091233	/nfs/dbraw/zinc/09/12/33/956091233.db2.gz	NNGQMQFJTMKVAN-FUHIMQAGSA-N	1	0	370.501	1.800	20	30		FDEDRO
CC[C@H](C(=O)NC[C@]12CCC[C@H]1N(c1ccc(C#N)nn1)CC2)[NH+](C)C	ZINC001092701500	956094772	/nfs/dbraw/zinc/09/47/72/956094772.db2.gz	DLSBUOVKLDTSFO-GPMSIDNRSA-N	1	0	356.474	1.554	20	30		FDEDRO
CC[C@@H](C(=O)NC[C@]12CCC[C@H]1N(c1nccnc1C#N)CC2)[NH+](C)C	ZINC001092701601	956095321	/nfs/dbraw/zinc/09/53/21/956095321.db2.gz	FWJXEMIZOPVUHT-FRQCXROJSA-N	1	0	356.474	1.554	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)NC[C@]23CCC[C@H]2N(c2cncc(C#N)n2)CC3)C1	ZINC001092702190	956097918	/nfs/dbraw/zinc/09/79/18/956097918.db2.gz	XLFVPJYCBHZJSZ-XAUMDUMWSA-N	1	0	368.485	1.555	20	30		FDEDRO
C=CCOc1ccccc1C(=O)NC[C@@H]1C[N@H+]([C@H](CC)C(N)=O)C[C@H]1C	ZINC001092740483	956237206	/nfs/dbraw/zinc/23/72/06/956237206.db2.gz	OFGPIBCJLLLKQD-BFYDXBDKSA-N	1	0	359.470	1.813	20	30		FDEDRO
CCN1CCOC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C	ZINC001092754923	956283382	/nfs/dbraw/zinc/28/33/82/956283382.db2.gz	SZZGWROQTKBKKS-AHRSYUTCSA-N	1	0	370.497	1.463	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)c3c[nH]nc3CC)[C@H](C)C2)C1=O	ZINC001092765422	956312224	/nfs/dbraw/zinc/31/22/24/956312224.db2.gz	WSGDWNUUMRXQTQ-CPUCHLNUSA-N	1	0	359.474	1.057	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(Br)c(C#N)c1	ZINC001197320863	972194240	/nfs/dbraw/zinc/19/42/40/972194240.db2.gz	XCAXKAIXGNYRGL-NSHDSACASA-N	1	0	358.261	1.693	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]2C)cc1	ZINC001092876861	956626140	/nfs/dbraw/zinc/62/61/40/956626140.db2.gz	PBZDPNQRTYSUKU-IMFGXOCKSA-N	1	0	367.493	1.882	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)[C@@H]1CCNC1=O	ZINC001092885203	956664432	/nfs/dbraw/zinc/66/44/32/956664432.db2.gz	WYUXRAAEFXGJFM-DAXOMENPSA-N	1	0	358.417	1.018	20	30		FDEDRO
Cc1cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)c(C#N)cn1	ZINC001092859817	956717807	/nfs/dbraw/zinc/71/78/07/956717807.db2.gz	QVDNCBBBEHPGEI-IKGGRYGDSA-N	1	0	357.458	1.066	20	30		FDEDRO
C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1snc(Cl)c1C#N	ZINC001092908553	956744406	/nfs/dbraw/zinc/74/44/06/956744406.db2.gz	RTLFAAUYOZBQKC-USWWRNFRSA-N	1	0	353.879	1.846	20	30		FDEDRO
C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1)CC(C)(C)C	ZINC001092920469	956788487	/nfs/dbraw/zinc/78/84/87/956788487.db2.gz	HDVLONBBHBQJNO-PMPSAXMXSA-N	1	0	356.474	1.552	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)c1c[nH]c(=O)cn1	ZINC001092921131	956790833	/nfs/dbraw/zinc/79/08/33/956790833.db2.gz	PFINAKMVMVPSCU-GDBMZVCRSA-N	1	0	368.412	1.258	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@H]1CCN(C)C1=O	ZINC001092897147	956825601	/nfs/dbraw/zinc/82/56/01/956825601.db2.gz	FKKOUSXGFPZDQK-ZTFGCOKTSA-N	1	0	354.454	1.221	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)c1cc(C(N)=O)co1	ZINC001092959957	956911962	/nfs/dbraw/zinc/91/19/62/956911962.db2.gz	PBJGMBFJWYPFSL-CRAIPNDOSA-N	1	0	365.433	1.728	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3cccnc3C)[C@H](C)C2)C1=O	ZINC001092925712	956929109	/nfs/dbraw/zinc/92/91/09/956929109.db2.gz	CKFKPYDRZCJJTG-QGPMSJSTSA-N	1	0	356.470	1.475	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)c1cn(C)c(=O)[nH]1	ZINC001092937078	956958920	/nfs/dbraw/zinc/95/89/20/956958920.db2.gz	NBJZYTREZCKFAR-IUODEOHRSA-N	1	0	371.416	1.634	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccncc1C#N	ZINC001092977308	956973348	/nfs/dbraw/zinc/97/33/48/956973348.db2.gz	KWPOQVQOXNSDKY-WFEDQXDTSA-N	1	0	369.469	1.147	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nc1	ZINC001092977482	956973682	/nfs/dbraw/zinc/97/36/82/956973682.db2.gz	SNXQARQCPVGBKG-WLWJZTKJSA-N	1	0	369.469	1.147	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncccc1C#N	ZINC001093018440	957142216	/nfs/dbraw/zinc/14/22/16/957142216.db2.gz	GOPTVHKGWXVOKS-TWMKSMIVSA-N	1	0	359.449	1.859	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccncc1C#N	ZINC001093018961	957144792	/nfs/dbraw/zinc/14/47/92/957144792.db2.gz	QPYDOMQAPNIHKG-KONPQCLYSA-N	1	0	359.449	1.859	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2C)cc1	ZINC001093031750	957243841	/nfs/dbraw/zinc/24/38/41/957243841.db2.gz	KIIVLTNBAONMLV-NVXWUHKLSA-N	1	0	369.465	1.275	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2nnn(C)c2C(F)(F)F)[C@H](C)C1	ZINC001093032492	957247546	/nfs/dbraw/zinc/24/75/46/957247546.db2.gz	OSFOUNDIYYBISY-PSASIEDQSA-N	1	0	365.787	1.884	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3cnc(C)cn3)C[C@H]2C)nn1	ZINC001093040390	957264529	/nfs/dbraw/zinc/26/45/29/957264529.db2.gz	OFTYXLYSJBTHEE-GDBMZVCRSA-N	1	0	369.473	1.451	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@H]2C)nn1	ZINC001093040468	957265206	/nfs/dbraw/zinc/26/52/06/957265206.db2.gz	QLHLGOBBQANWFX-BRWVUGGUSA-N	1	0	361.490	1.579	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1	ZINC001093057713	957278158	/nfs/dbraw/zinc/27/81/58/957278158.db2.gz	RQFWCTGXKYDXHK-FPCVCCKLSA-N	1	0	354.458	1.449	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CNC(=O)c2ccncn2)[C@H](C)C1	ZINC001093067025	957312505	/nfs/dbraw/zinc/31/25/05/957312505.db2.gz	QIJNKJIMSVBZCA-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)c1cccnn1	ZINC001093074424	957335520	/nfs/dbraw/zinc/33/55/20/957335520.db2.gz	GFDVLMKSVFURFD-CZUORRHYSA-N	1	0	353.401	1.985	20	30		FDEDRO
CC[C@@H](C(=O)N[C@]12CCC[C@H]1CN(c1nccnc1C#N)C2)[NH+](CC)CC	ZINC001093104021	957445698	/nfs/dbraw/zinc/44/56/98/957445698.db2.gz	WEVCKLVQOGSSCU-KNBMTAEXSA-N	1	0	370.501	1.944	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H]3CCC[C@]3(NC(=O)C3(C[NH+](C)C)CC3)C2)n1	ZINC001093104212	957451098	/nfs/dbraw/zinc/45/10/98/957451098.db2.gz	BDFLRSGNZRLGKJ-YWZLYKJASA-N	1	0	368.485	1.474	20	30		FDEDRO
CCn1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)nn1	ZINC001093089690	957519435	/nfs/dbraw/zinc/51/94/35/957519435.db2.gz	AMNMDDOCBZSNLN-RHSMWYFYSA-N	1	0	352.442	1.668	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H]3CCC[C@]3(NC(=O)[C@@H](CC)[NH+](C)C)C2)n1	ZINC001093091425	957534168	/nfs/dbraw/zinc/53/41/68/957534168.db2.gz	ZDSHEDVKNNIRCV-NBQZKYEYSA-N	1	0	370.501	1.726	20	30		FDEDRO
Cc1cc(N2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)c(C#N)cn1	ZINC001093092525	957541592	/nfs/dbraw/zinc/54/15/92/957541592.db2.gz	PYGHJEKWSNEQKS-PXNSSMCTSA-N	1	0	371.485	1.315	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCN(C(C)=O)C2)C1	ZINC001197536287	972279024	/nfs/dbraw/zinc/27/90/24/972279024.db2.gz	RBQSNAYLTLJTOT-ZHALLVOQSA-N	1	0	353.507	1.377	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]2C)nc1	ZINC001093142906	957639372	/nfs/dbraw/zinc/63/93/72/957639372.db2.gz	IBQLEEJHHNEDOF-SZVBFZGTSA-N	1	0	368.481	1.370	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCO[C@H]3CC3(F)F)C[C@H]2C)nc1	ZINC001093142925	957640099	/nfs/dbraw/zinc/64/00/99/957640099.db2.gz	JHQYRNALGRZJCK-UNEWFSDZSA-N	1	0	363.408	1.785	20	30		FDEDRO
CCN1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)C1	ZINC001093215387	957835865	/nfs/dbraw/zinc/83/58/65/957835865.db2.gz	XJWJRNPDROMRON-AHRSYUTCSA-N	1	0	370.497	1.463	20	30		FDEDRO
CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C	ZINC001093233258	957872996	/nfs/dbraw/zinc/87/29/96/957872996.db2.gz	ISKTVQXBPGNBFH-DUXKGJEZSA-N	1	0	367.493	1.733	20	30		FDEDRO
C#C[C@H](NC(=O)NC[C@@H](C(CC)CC)[NH+]1CCOCC1)[C@@H]1CCCO1	ZINC000773167121	957903988	/nfs/dbraw/zinc/90/39/88/957903988.db2.gz	WGPPKUUHSOOCHI-BZSNNMDCSA-N	1	0	351.491	1.603	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CNC(=O)c2nonc2C)[C@H](C)C1	ZINC001093252283	957930542	/nfs/dbraw/zinc/93/05/42/957930542.db2.gz	DLLLTCYONLMBLY-MLGOLLRUSA-N	1	0	369.425	1.756	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3ccnnc3C)C[C@H]2C)C1=O	ZINC001093278450	957948979	/nfs/dbraw/zinc/94/89/79/957948979.db2.gz	ANZPNFACLXJSKS-KYJSFNMBSA-N	1	0	371.485	1.260	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3ccncc3C)C[C@H]2C)C1=O	ZINC001093278208	957949230	/nfs/dbraw/zinc/94/92/30/957949230.db2.gz	PYZIPILPCWZIHP-ZHALLVOQSA-N	1	0	370.497	1.865	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)C3(C(F)F)CC3)C[C@H]2C)C1=O	ZINC001093279304	957952210	/nfs/dbraw/zinc/95/22/10/957952210.db2.gz	XSUVSZKQLSBBKY-RBSFLKMASA-N	1	0	369.456	1.893	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C3=COCCO3)[C@H]2C(C)C)C[C@H]1O	ZINC001093427019	958042898	/nfs/dbraw/zinc/04/28/98/958042898.db2.gz	HZYSVQDUBMEOOW-AHEZYBDSSA-N	1	0	370.877	1.593	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3snnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093431442	958055608	/nfs/dbraw/zinc/05/56/08/958055608.db2.gz	UMMHWIRNPVRJHN-GKLJAUDBSA-N	1	0	350.488	1.612	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3snnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093431443	958056470	/nfs/dbraw/zinc/05/64/70/958056470.db2.gz	UMMHWIRNPVRJHN-LGWLGOQQSA-N	1	0	350.488	1.612	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnns3)[C@H]2C(C)C)C[C@H]1O	ZINC001093435494	958064534	/nfs/dbraw/zinc/06/45/34/958064534.db2.gz	UGQXKGINGJYOMH-LGWLGOQQSA-N	1	0	350.488	1.694	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3nnc[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093439018	958073325	/nfs/dbraw/zinc/07/33/25/958073325.db2.gz	IMBHCKKTSDXQQY-RGCFKVTRSA-N	1	0	361.490	1.280	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncn(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093442776	958081675	/nfs/dbraw/zinc/08/16/75/958081675.db2.gz	LAAFVGREXSUOSV-WBOJAVRRSA-N	1	0	367.881	1.147	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@H]1C(C)C	ZINC001093449524	958116255	/nfs/dbraw/zinc/11/62/55/958116255.db2.gz	PHWVYCSOOLVKES-ADAWSYLGSA-N	1	0	358.910	1.724	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cnccc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093451455	958132307	/nfs/dbraw/zinc/13/23/07/958132307.db2.gz	ULYXJSBIUSIMJW-QCFAMHMHSA-N	1	0	355.482	1.532	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH]nc3CCC)[C@H]2C(C)C)C[C@H]1O	ZINC001093452277	958140172	/nfs/dbraw/zinc/14/01/72/958140172.db2.gz	GFHHHAVWTFZQTA-XSYGEPLQSA-N	1	0	358.486	1.575	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc4cn[nH]c43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093460261	958189404	/nfs/dbraw/zinc/18/94/04/958189404.db2.gz	RAVGLPHOFFHGFK-ZJSJBZJDSA-N	1	0	366.465	1.776	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3cncs3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093464696	958200707	/nfs/dbraw/zinc/20/07/07/958200707.db2.gz	GLBDHNDIBPROIY-RWQQGDIJSA-N	1	0	361.511	1.675	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nccn4ccnc34)[C@@H]2C(C)C)C[C@H]1O	ZINC001093464572	958200864	/nfs/dbraw/zinc/20/08/64/958200864.db2.gz	CJHCZBLGLZENJY-YVTWGWGSSA-N	1	0	369.469	1.495	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3n[nH]cc3F)[C@H]2C(C)C)C[C@H]1O	ZINC001093465751	958205101	/nfs/dbraw/zinc/20/51/01/958205101.db2.gz	LMFYMRINKRNLKB-DEICHXMPSA-N	1	0	350.438	1.705	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cc(Cl)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093466705	958211321	/nfs/dbraw/zinc/21/13/21/958211321.db2.gz	PECUWDGUSSVWRI-XYVMCAHJSA-N	1	0	364.877	1.136	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCC3CCOCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093466905	958212662	/nfs/dbraw/zinc/21/26/62/958212662.db2.gz	QFEXLNWFKNLLQW-RMVXJAJNSA-N	1	0	362.514	1.793	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc4nncn4c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093467618	958216114	/nfs/dbraw/zinc/21/61/14/958216114.db2.gz	UUAJRRBBLWBROR-CIWUYKSXSA-N	1	0	369.469	1.495	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(CC)nn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093469574	958222336	/nfs/dbraw/zinc/22/23/36/958222336.db2.gz	IBLNRZURGHZRHL-PHXBYCTMSA-N	1	0	360.502	1.748	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3cn[nH]c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093469469	958222549	/nfs/dbraw/zinc/22/25/49/958222549.db2.gz	GHSCZBQIRGTZKI-IZBJGVDFSA-N	1	0	360.502	1.885	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccncn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093469913	958224515	/nfs/dbraw/zinc/22/45/15/958224515.db2.gz	NJHOIGSXFFONFJ-CBZIJGRNSA-N	1	0	364.877	1.809	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3coc(COC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093469875	958224833	/nfs/dbraw/zinc/22/48/33/958224833.db2.gz	MMHOEYWHZAUSDI-OVLVRJBISA-N	1	0	363.458	1.587	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COc3cccnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093470393	958228626	/nfs/dbraw/zinc/22/86/26/958228626.db2.gz	UGTFGMAWXQYJRJ-LFGUQSLTSA-N	1	0	359.470	1.613	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc4c([nH]3)CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093472219	958238029	/nfs/dbraw/zinc/23/80/29/958238029.db2.gz	JRHYCIRFGIHQRF-WERVVEIQSA-N	1	0	355.482	1.716	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn4cc[nH]c34)[C@H]2C(C)C)C[C@H]1O	ZINC001093473818	958245308	/nfs/dbraw/zinc/24/53/08/958245308.db2.gz	PIFKQXVSHZPMBX-PDOICOKGSA-N	1	0	371.485	1.818	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)nn(C)c3F)[C@@H]2C(C)C)C[C@H]1O	ZINC001093474021	958245916	/nfs/dbraw/zinc/24/59/16/958245916.db2.gz	QLPIGZLCKOAFDT-NPNMTCQASA-N	1	0	362.449	1.081	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3nnc[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093474466	958248787	/nfs/dbraw/zinc/24/87/87/958248787.db2.gz	VFCRSHMRMTTWCW-KFZJALRRSA-N	1	0	367.881	1.066	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnc(OC)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452652	958259415	/nfs/dbraw/zinc/25/94/15/958259415.db2.gz	MAMWWMPBHLPFGR-QQTQMKHKSA-N	1	0	359.470	1.856	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc(Cl)n3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093453913	958263840	/nfs/dbraw/zinc/26/38/40/958263840.db2.gz	YAMSLBUGABYAJH-SCFUHWHPSA-N	1	0	366.893	1.839	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc4[nH]ncc43)[C@H]2C(C)C)C[C@H]1O	ZINC001093454711	958269356	/nfs/dbraw/zinc/26/93/56/958269356.db2.gz	HACCEDOBULPNGR-WERVVEIQSA-N	1	0	366.465	1.776	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)nn(C)c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093455386	958272840	/nfs/dbraw/zinc/27/28/40/958272840.db2.gz	MPUTYWZKVIZYBO-ZTRFORPCSA-N	1	0	360.502	1.803	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3cncnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093457951	958280719	/nfs/dbraw/zinc/28/07/19/958280719.db2.gz	LZRHWUJEQIQPCB-IZBJGVDFSA-N	1	0	356.470	1.009	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)nc(OC)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093458189	958281778	/nfs/dbraw/zinc/28/17/78/958281778.db2.gz	BLFCQANAKSCTGR-ZJSJBZJDSA-N	1	0	371.481	1.612	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccc(F)cc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093477757	958290326	/nfs/dbraw/zinc/29/03/26/958290326.db2.gz	MCNSDKKSGRMGRL-RMVXJAJNSA-N	1	0	358.457	1.968	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nonc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093479156	958297973	/nfs/dbraw/zinc/29/79/73/958297973.db2.gz	IGLCNDGGPJNGHQ-GKLJAUDBSA-N	1	0	368.865	1.710	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCN3CCCC3=O)[C@H]2C(C)C)C[C@H]1O	ZINC001093480530	958303882	/nfs/dbraw/zinc/30/38/82/958303882.db2.gz	LDWIHGNODQIKRU-YKCBXCCJSA-N	1	0	363.502	1.151	20	30		FDEDRO
CC#CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@H]2CC[C@@H](C)O2)CC1	ZINC001093490304	958312122	/nfs/dbraw/zinc/31/21/22/958312122.db2.gz	SJTOBIUHVBWIHO-RSPOEFSDSA-N	1	0	359.514	1.717	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2csc(-c3ncccn3)n2)[C@H](C)C1	ZINC001093673453	958516844	/nfs/dbraw/zinc/51/68/44/958516844.db2.gz	QRGNFLNVHYKDHU-BFHYXJOUSA-N	1	0	370.482	1.944	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2cnnn2-c2ccccc2)[C@H](C)C1	ZINC001093678451	958531909	/nfs/dbraw/zinc/53/19/09/958531909.db2.gz	LBDITJBBNMNZIK-BZUAXINKSA-N	1	0	352.442	1.611	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3ncccc3C)C[C@H]2C)C1=O	ZINC001093704093	958538156	/nfs/dbraw/zinc/53/81/56/958538156.db2.gz	WLAOCUTUARGZAF-ZACQAIPSSA-N	1	0	356.470	1.475	20	30		FDEDRO
COc1cc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)ccn1	ZINC001093699674	958565400	/nfs/dbraw/zinc/56/54/00/958565400.db2.gz	GAZDPSDMZXLVMU-CZUORRHYSA-N	1	0	353.426	1.788	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+][C@H]1CCN(C(C)(C)C)C1=O	ZINC001093699946	958567007	/nfs/dbraw/zinc/56/70/07/958567007.db2.gz	QVIKQXBPSVEKTO-BMFZPTHFSA-N	1	0	371.485	1.583	20	30		FDEDRO
COc1ncc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)c(C)n1	ZINC001093722496	958597972	/nfs/dbraw/zinc/59/79/72/958597972.db2.gz	JZGLZKMWZBZWKZ-IUODEOHRSA-N	1	0	368.441	1.491	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C)c1nnnn1C1CC1	ZINC001093722625	958599645	/nfs/dbraw/zinc/59/96/45/958599645.db2.gz	VUXOETRIGSBJFX-JHJVBQTASA-N	1	0	368.445	1.267	20	30		FDEDRO
COc1cncc(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)n1	ZINC001093725322	958605861	/nfs/dbraw/zinc/60/58/61/958605861.db2.gz	HFVHDQYWNFYIPD-TZMCWYRMSA-N	1	0	354.414	1.183	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001093741310	958660198	/nfs/dbraw/zinc/66/01/98/958660198.db2.gz	QKWQDBKHCOWXAB-RHSMWYFYSA-N	1	0	369.444	1.858	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001093752474	958677869	/nfs/dbraw/zinc/67/78/69/958677869.db2.gz	PWFQRAZZDNEGES-GDBMZVCRSA-N	1	0	368.441	1.215	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1ccc2oc(=O)n(C)c2c1	ZINC001093761944	958700206	/nfs/dbraw/zinc/70/02/06/958700206.db2.gz	CRZHPMPXNBZIJH-RHSMWYFYSA-N	1	0	367.449	1.729	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)c(F)c3)[C@H](C)C2)[nH]1	ZINC001093760738	958700665	/nfs/dbraw/zinc/70/06/65/958700665.db2.gz	ZEDIXHOLOWIGJR-MLGOLLRUSA-N	1	0	370.432	1.551	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nncs2)[C@H](C)C1	ZINC001093778692	958874175	/nfs/dbraw/zinc/87/41/75/958874175.db2.gz	GEABIJPINNFLLS-TUVASFSCSA-N	1	0	350.488	1.703	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]Cc2cnn(CC)n2)[C@H](C)C1	ZINC001093824969	958904769	/nfs/dbraw/zinc/90/47/69/958904769.db2.gz	WXIPBGYQIKBJIM-HZPDHXFCSA-N	1	0	356.474	1.783	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2snnc2C)[C@H](C)C1	ZINC001093832866	958926184	/nfs/dbraw/zinc/92/61/84/958926184.db2.gz	DPPIIEZWSGQHIS-BMFZPTHFSA-N	1	0	361.515	1.128	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093839537	958950423	/nfs/dbraw/zinc/95/04/23/958950423.db2.gz	RSHUEDYIMSHWPO-OLMNPRSZSA-N	1	0	354.454	1.269	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C[NH2+][C@H]2CCCNC2=O)[C@H](C)C1	ZINC001093869877	959053146	/nfs/dbraw/zinc/05/31/46/959053146.db2.gz	GROCTLLRIZIOOL-NUJGCVRESA-N	1	0	371.481	1.828	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3ccnn3)cc2)C1	ZINC001197733006	972402000	/nfs/dbraw/zinc/40/20/00/972402000.db2.gz	VLXBLWHJMDYAKE-ZTFGCOKTSA-N	1	0	355.442	1.397	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093936112	959394874	/nfs/dbraw/zinc/39/48/74/959394874.db2.gz	BMPYUAUIDCHQGX-WIBUTAKZSA-N	1	0	354.454	1.269	20	30		FDEDRO
Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1	ZINC001093984995	959420712	/nfs/dbraw/zinc/42/07/12/959420712.db2.gz	QWKDGTDUEMMYGO-CXAGYDPISA-N	1	0	365.437	1.860	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093988864	959436690	/nfs/dbraw/zinc/43/66/90/959436690.db2.gz	XLYQVLZPIISQPD-ZTFGCOKTSA-N	1	0	354.454	1.363	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C3(C(C)(F)F)CC3)C[C@H]2C)C1=O	ZINC001094048842	959622663	/nfs/dbraw/zinc/62/26/63/959622663.db2.gz	PQQWHOLNTFGVMW-RBSFLKMASA-N	1	0	369.456	1.893	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001094015275	959656591	/nfs/dbraw/zinc/65/65/91/959656591.db2.gz	BIINQGHPKFXUQX-IUODEOHRSA-N	1	0	371.416	1.634	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ccn(C(C)C)n3)[C@H](C)C2)nn1	ZINC001094095175	959770533	/nfs/dbraw/zinc/77/05/33/959770533.db2.gz	IEGCBPSLCSOVAF-HZPDHXFCSA-N	1	0	371.489	1.739	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3cncc(C)c3)[C@H](C)C2)nn1	ZINC001094095279	959772173	/nfs/dbraw/zinc/77/21/73/959772173.db2.gz	LLSSWGZALHWYKM-NVXWUHKLSA-N	1	0	354.458	1.665	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3snnc3C)[C@H](C)C2)nn1	ZINC001094095425	959772592	/nfs/dbraw/zinc/77/25/92/959772592.db2.gz	QIDFQXUWWWPHHS-DGCLKSJQSA-N	1	0	361.475	1.122	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3ccc(OC)o3)C[C@H]2C)C1=O	ZINC001094128354	959840700	/nfs/dbraw/zinc/84/07/00/959840700.db2.gz	CNOFSEMOOIUYTH-RBSFLKMASA-N	1	0	361.442	1.373	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C2CC2)[C@H](C)C1	ZINC001094103700	959884464	/nfs/dbraw/zinc/88/44/64/959884464.db2.gz	YFLBWVMTXKCTFN-DEICHXMPSA-N	1	0	374.489	1.173	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001094106748	959891845	/nfs/dbraw/zinc/89/18/45/959891845.db2.gz	BCNRBDNIIMESPW-ZTFGCOKTSA-N	1	0	354.454	1.411	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001094156705	959926915	/nfs/dbraw/zinc/92/69/15/959926915.db2.gz	CBZLQFYAAZKTCE-IUODEOHRSA-N	1	0	356.405	1.242	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C[NH2+]Cc2cnnn2C)[C@H](C)C1	ZINC001094158930	959929485	/nfs/dbraw/zinc/92/94/85/959929485.db2.gz	PNSUIPIDTIIKAX-HUUCEWRRSA-N	1	0	370.457	1.273	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ncnn3CCC)[C@H](C)C2)nc1	ZINC001094171883	959969051	/nfs/dbraw/zinc/96/90/51/959969051.db2.gz	FIWIIGVVNQIQEX-NVXWUHKLSA-N	1	0	366.469	1.562	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cn(C)nc3C)[C@H](C)C2)nc1	ZINC001094171904	959969066	/nfs/dbraw/zinc/96/90/66/959969066.db2.gz	FVJGJAUSPBTTAB-RHSMWYFYSA-N	1	0	351.454	1.603	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nnc(C)s3)[C@H](C)C2)nc1	ZINC001094172742	959971185	/nfs/dbraw/zinc/97/11/85/959971185.db2.gz	YEEXPMMXVZNBHR-IUODEOHRSA-N	1	0	355.467	1.721	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001094174155	959975879	/nfs/dbraw/zinc/97/58/79/959975879.db2.gz	VSQJWHABGRMXJW-ZIAGYGMSSA-N	1	0	370.478	1.816	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3snnc3C)[C@H](C)C2)nc1	ZINC001094174461	959977130	/nfs/dbraw/zinc/97/71/30/959977130.db2.gz	IWIXQBGVAOUSRW-IUODEOHRSA-N	1	0	355.467	1.721	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cc(OC)no3)[C@H](C)C2)nc1	ZINC001094175045	959979751	/nfs/dbraw/zinc/97/97/51/959979751.db2.gz	ZERLEIZIEPYDLP-UKRRQHHQSA-N	1	0	354.410	1.557	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001094221483	960050366	/nfs/dbraw/zinc/05/03/66/960050366.db2.gz	MAXXLELQILLPKF-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCCNC2=O)[C@H](C)C1	ZINC001094188334	960069348	/nfs/dbraw/zinc/06/93/48/960069348.db2.gz	PCAAISLBNDTKQH-ATZDWAIDSA-N	1	0	353.466	1.173	20	30		FDEDRO
C=C[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2cnnn2C)[C@H](C)C1)c1ccccc1	ZINC001094236872	960148569	/nfs/dbraw/zinc/14/85/69/960148569.db2.gz	UFGSPCWSEJMPMN-SUMDDJOVSA-N	1	0	353.470	1.969	20	30		FDEDRO
C#C[C@H]([NH2+][C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2)[C@@H]1CCCO1	ZINC000775791124	972487102	/nfs/dbraw/zinc/48/71/02/972487102.db2.gz	SDKFBXYDRIGIFR-JHNDHUHGSA-N	1	0	358.438	1.794	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cn(C)nn2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001094258095	960234290	/nfs/dbraw/zinc/23/42/90/960234290.db2.gz	ASGZCGGWSRUBFC-CRAIPNDOSA-N	1	0	366.469	1.504	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1cn(C2C[NH+](CCC(C)(C)C)C2)nn1	ZINC001094320947	960252858	/nfs/dbraw/zinc/25/28/58/960252858.db2.gz	VRJKVFMXXMLTNQ-SJORKVTESA-N	1	0	361.490	1.778	20	30		FDEDRO
N#Cc1ccccc1C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3COC(=O)N3)CCC[C@@H]12	ZINC001094407790	960388870	/nfs/dbraw/zinc/38/88/70/960388870.db2.gz	ZJSNXIBVMNGWMG-SQGPQFPESA-N	1	0	368.437	1.527	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnnn1C)CC2	ZINC001094418384	960410409	/nfs/dbraw/zinc/41/04/09/960410409.db2.gz	SVESIFIGGRWXBO-AJYBTWMASA-N	1	0	373.501	1.657	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc(Br)n[nH]3)CCC[C@@H]12	ZINC001094426302	960427452	/nfs/dbraw/zinc/42/74/52/960427452.db2.gz	SSCJANAWMPBPEX-IUODEOHRSA-N	1	0	351.248	1.780	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCn1cccn1)CC2	ZINC001094436207	960429148	/nfs/dbraw/zinc/42/91/48/960429148.db2.gz	BYYGNVHSVTWSAM-QKNQBKEWSA-N	1	0	369.513	1.342	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccccc3OCC(N)=O)CCC[C@@H]12	ZINC001094462796	960459742	/nfs/dbraw/zinc/45/97/42/960459742.db2.gz	BNZZIFUJOLJMCS-WIYYLYMNSA-N	1	0	369.465	1.548	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccccc3OCC(N)=O)CCC[C@@H]12	ZINC001094463400	960461821	/nfs/dbraw/zinc/46/18/21/960461821.db2.gz	OAPDEKMUGKEYOO-YLJYHZDGSA-N	1	0	355.438	1.158	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCO[C@H]3c3cnn(C)c3)CCC[C@@H]12	ZINC001094436463	960478488	/nfs/dbraw/zinc/47/84/88/960478488.db2.gz	VAROAYMGCJSRTB-WERVVEIQSA-N	1	0	370.497	1.882	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC	ZINC001181045198	960533435	/nfs/dbraw/zinc/53/34/35/960533435.db2.gz	COTVLQCQXRTJAZ-UONOGXRCSA-N	1	0	369.462	1.209	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC4N=NC(=O)N4C3)CCC[C@@H]12	ZINC001094453457	960534984	/nfs/dbraw/zinc/53/49/84/960534984.db2.gz	UVTZFSHJMDNMIL-SPYBWZPUSA-N	1	0	359.474	1.483	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4[nH]c(=O)[nH]c4c3)CCC[C@@H]12	ZINC001094454340	960536836	/nfs/dbraw/zinc/53/68/36/960536836.db2.gz	XOQCCYWSMLFLSD-DNVCBOLYSA-N	1	0	353.426	1.661	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@@]3(CNC(=O)c4c[nH]nc4C)CCC[C@@H]23)C1=O	ZINC001094485143	960572748	/nfs/dbraw/zinc/57/27/48/960572748.db2.gz	ORSCMFVZTKJNKW-MBOZVWFJSA-N	1	0	371.485	1.479	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2Cc3ccccc3C2=O)C1	ZINC001197903069	972516220	/nfs/dbraw/zinc/51/62/20/972516220.db2.gz	DAGHSFDYJAAJFU-BMGDILEWSA-N	1	0	357.454	1.158	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc4c(=O)[nH]c(C)cn4n3)CCC[C@@H]12	ZINC001094477897	960650820	/nfs/dbraw/zinc/65/08/20/960650820.db2.gz	LWEZQGSDYMLRHU-VQIMIIECSA-N	1	0	355.442	1.491	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(-n4cncn4)nc3)CCC[C@@H]12	ZINC001094481895	960662873	/nfs/dbraw/zinc/66/28/73/960662873.db2.gz	LRKUZPFZLLJRNG-YLJYHZDGSA-N	1	0	364.453	1.660	20	30		FDEDRO
N#Cc1ccccc1C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[C@H]3C(N)=O)CCC[C@@H]12	ZINC001094513467	960703182	/nfs/dbraw/zinc/70/31/82/960703182.db2.gz	XMIQZIGCQMGOAE-BMQTXXJKSA-N	1	0	366.465	1.540	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2ccnn2C)CC3)nn1	ZINC001094531346	960739064	/nfs/dbraw/zinc/73/90/64/960739064.db2.gz	KOSRDAFGVFUQAV-IEBWSBKVSA-N	1	0	369.473	1.372	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2cnoc2C)CC3)nn1	ZINC001094531605	960741617	/nfs/dbraw/zinc/74/16/17/960741617.db2.gz	XDIBCSKLYNUQDP-IEBWSBKVSA-N	1	0	370.457	1.935	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2cnn(C)c2)CC3)cn1	ZINC001094563195	960819717	/nfs/dbraw/zinc/81/97/17/960819717.db2.gz	ITGFWZQTFUPSBZ-TZIWHRDSSA-N	1	0	363.465	1.971	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc4c(cn3)nc[nH]c4=O)CCC[C@@H]12	ZINC001094568221	960836708	/nfs/dbraw/zinc/83/67/08/960836708.db2.gz	QAYDPBMCDMIHJZ-YLJYHZDGSA-N	1	0	365.437	1.728	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2cnn(C)n2)C1	ZINC001181525672	960906302	/nfs/dbraw/zinc/90/63/02/960906302.db2.gz	RBJAHVWMBLHAFB-VYCZESIESA-N	1	0	361.490	1.371	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cc(Cn4cccn4)on3)CCC[C@@H]12	ZINC001094557039	960908651	/nfs/dbraw/zinc/90/86/51/960908651.db2.gz	BUSXYAYHPZCENW-UYAOXDASSA-N	1	0	367.453	1.917	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)c3cn([C@H]4CCOC4)nn3)CCC[C@@H]12	ZINC001094556439	960909077	/nfs/dbraw/zinc/90/90/77/960909077.db2.gz	SLBJIOGUGDKLMQ-KVSKMBFKSA-N	1	0	359.474	1.790	20	30		FDEDRO
C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C[C@H]1C	ZINC001181771905	961093157	/nfs/dbraw/zinc/09/31/57/961093157.db2.gz	FUPVLGPWDNOPTI-WOCWXWTJSA-N	1	0	358.486	1.595	20	30		FDEDRO
COC(=O)C1(Nc2ccnc(C#N)n2)CC[NH+](Cc2ccccc2)CC1	ZINC001171504050	961208695	/nfs/dbraw/zinc/20/86/95/961208695.db2.gz	QHVAOXFNIZZTPW-UHFFFAOYSA-N	1	0	351.410	1.968	20	30		FDEDRO
C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	ZINC001171879702	961357286	/nfs/dbraw/zinc/35/72/86/961357286.db2.gz	TVFKAQVQNAMQSF-QRVBRYPASA-N	1	0	367.534	1.707	20	30		FDEDRO
COCCC[NH+]1CCC(N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1	ZINC001172252135	961601496	/nfs/dbraw/zinc/60/14/96/961601496.db2.gz	HUQRTPSRHDNJSS-QGZVFWFLSA-N	1	0	366.506	1.932	20	30		FDEDRO
CNC(=O)CN1C(=O)CC[C@@]12CCC[N@@H+]([C@@H](C)Cc1ccc(C#N)cc1)C2	ZINC001172304520	961615232	/nfs/dbraw/zinc/61/52/32/961615232.db2.gz	NSPCAVDFKOLUNE-HRAATJIYSA-N	1	0	368.481	1.692	20	30		FDEDRO
CC(=O)N1CCC[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1	ZINC001172971263	961855745	/nfs/dbraw/zinc/85/57/45/961855745.db2.gz	NRQHLPXUGQYGRU-JYJNAYRXSA-N	1	0	350.463	1.879	20	30		FDEDRO
C#CCN(C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1	ZINC000774185152	961858918	/nfs/dbraw/zinc/85/89/18/961858918.db2.gz	GZXBHVRDOKQNLF-HOTGVXAUSA-N	1	0	369.531	1.329	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H](N2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H]1C#N	ZINC001172979541	961862023	/nfs/dbraw/zinc/86/20/23/961862023.db2.gz	FLSUYFUXSZWQQC-ZACQAIPSSA-N	1	0	364.490	1.685	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cncc(C(N)=O)c2)C[C@H]1C#N	ZINC001172979431	961862052	/nfs/dbraw/zinc/86/20/52/961862052.db2.gz	YFGAGHUEHNHIRA-CABCVRRESA-N	1	0	359.430	1.562	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@@](C)(CO)[C@H](O)C2)C[C@H]1C#N	ZINC001172981064	961864099	/nfs/dbraw/zinc/86/40/99/961864099.db2.gz	SDHHJAPXZPFNTO-AFIMGQEJSA-N	1	0	353.463	1.343	20	30		FDEDRO
C[NH+](C)C[C@@H]1COCCN1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1	ZINC001172992267	961900860	/nfs/dbraw/zinc/90/08/60/961900860.db2.gz	UPQKUUMQXQIZAB-OWCLPIDISA-N	1	0	352.479	1.540	20	30		FDEDRO
C=CCOC1CCC([N@@H+]2CCC[C@]3(C[C@@H](OCC(=O)NC)CO3)C2)CC1	ZINC001173322285	962003413	/nfs/dbraw/zinc/00/34/13/962003413.db2.gz	BIIKBHULSHZBDA-ZZVGESKWSA-N	1	0	366.502	1.886	20	30		FDEDRO
CN(C)C(=O)CN1CC[C@@]2(CCC[N@@H+](C3CCC(CC#N)CC3)C2)C1=O	ZINC001173334206	962006596	/nfs/dbraw/zinc/00/65/96/962006596.db2.gz	WBYKPFTVYMYCAC-LBXVMSDZSA-N	1	0	360.502	1.862	20	30		FDEDRO
CN(C)S(=O)(=O)N1CC[C@@H]2C[N@@H+](C3CCC(CC#N)CC3)C[C@H]2C1	ZINC001173335725	962008538	/nfs/dbraw/zinc/00/85/38/962008538.db2.gz	WOFBQEMJONAPBQ-GMRIPVOYSA-N	1	0	354.520	1.519	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([N@@H+]3CC(=O)NC4(CCCC4)C3)CC2)cc1	ZINC001173436181	962102471	/nfs/dbraw/zinc/10/24/71/962102471.db2.gz	SRHBRGXPHPVQQZ-UHFFFAOYSA-N	1	0	366.465	1.907	20	30		FDEDRO
N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C(N)=O)cc1	ZINC001110305313	962121352	/nfs/dbraw/zinc/12/13/52/962121352.db2.gz	ONEBXSTWPMBSDQ-OAGGEKHMSA-N	1	0	358.467	1.264	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH+]3CCC4(CCC(=O)N4)CC3)CC2)cc1	ZINC001173435333	962158231	/nfs/dbraw/zinc/15/82/31/962158231.db2.gz	JTQQLZVSHRRTIF-UHFFFAOYSA-N	1	0	366.465	1.907	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2C)cn1	ZINC000957499905	1013320117	/nfs/dbraw/zinc/32/01/17/1013320117.db2.gz	WIXFMPHAMNEBSA-ZTFGCOKTSA-N	1	0	356.470	1.226	20	30		FDEDRO
C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc(S(N)(=O)=O)cc1C#N	ZINC000774523771	962349468	/nfs/dbraw/zinc/34/94/68/962349468.db2.gz	IJEVZXHBNZDZDB-HZSPNIEDSA-N	1	0	350.488	1.984	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2ncnn2CC)C1	ZINC001182684314	962431199	/nfs/dbraw/zinc/43/11/99/962431199.db2.gz	ASSXGJFCDZNPTI-OAFZBRQQSA-N	1	0	361.490	1.463	20	30		FDEDRO
C=CCOCc1ncn2c1C[N@@H+]([C@@H]1CCC[C@H](n3ncnn3)C1)CCC2	ZINC001173752749	962627108	/nfs/dbraw/zinc/62/71/08/962627108.db2.gz	ZPQZOPLBYYNQPD-CVEARBPZSA-N	1	0	357.462	1.962	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CCc2onc(C(=O)N(C)C(C)C)c2C1	ZINC001183043405	962756313	/nfs/dbraw/zinc/75/63/13/962756313.db2.gz	RRHSBNKDSWIWAH-UHFFFAOYSA-N	1	0	360.458	1.692	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CCc2nnc(Cn3cccc3)n2CC1	ZINC001183043699	962756647	/nfs/dbraw/zinc/75/66/47/962756647.db2.gz	VZOGUULUKVFLRG-UHFFFAOYSA-N	1	0	354.458	1.165	20	30		FDEDRO
C=CCN1CCN(C(=O)Cc2cnn(Cc3ccc(OC)cc3)c2)CC1	ZINC001175200876	963074294	/nfs/dbraw/zinc/07/42/94/963074294.db2.gz	AQDTVJFHIQPWKV-UHFFFAOYSA-N	1	0	354.454	1.813	20	30		FDEDRO
C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COc1ccccc1	ZINC001110181877	963079175	/nfs/dbraw/zinc/07/91/75/963079175.db2.gz	QHEWSEFJHOAODS-JYBIWHBTSA-N	1	0	374.481	1.741	20	30		FDEDRO
C[C@@]1(O)C=C[C@H](O)C(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)=C1	ZINC001183544069	963103199	/nfs/dbraw/zinc/10/31/99/963103199.db2.gz	KJUSZUSDEGJULG-AZUAARDMSA-N	1	0	367.449	1.269	20	30		FDEDRO
N#C[C@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2	ZINC001183612515	963146114	/nfs/dbraw/zinc/14/61/14/963146114.db2.gz	NSKNKNXTEOHXHP-YTQUADARSA-N	1	0	355.438	1.396	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CC#Cc3ccc(F)cc3)C2)O1	ZINC001183576222	963147451	/nfs/dbraw/zinc/14/74/51/963147451.db2.gz	HFGMBYMPNVBUCD-ATZDWAIDSA-N	1	0	359.445	1.087	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)N(C)CC1CC1	ZINC001175357257	963164293	/nfs/dbraw/zinc/16/42/93/963164293.db2.gz	FXBFGUUTPYOLPZ-JQHSSLGASA-N	1	0	365.518	1.711	20	30		FDEDRO
C[NH+]1CCN(c2ccc(NC(=O)[C@@H](C#N)Cc3ccc(O)cc3)nc2)CC1	ZINC001183604882	963169591	/nfs/dbraw/zinc/16/95/91/963169591.db2.gz	COZKPXKEOLUAHL-MRXNPFEDSA-N	1	0	365.437	1.860	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=O)NCCCC	ZINC001175366214	963170007	/nfs/dbraw/zinc/17/00/07/963170007.db2.gz	RENWMRMJACGKCJ-ZACQAIPSSA-N	1	0	353.507	1.758	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCO[C@H]1C(=C)C	ZINC001175628892	963242360	/nfs/dbraw/zinc/24/23/60/963242360.db2.gz	HLYBGVRKFMQGMA-LNLFQRSKSA-N	1	0	365.518	1.925	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NC1CC1	ZINC001175630702	963242539	/nfs/dbraw/zinc/24/25/39/963242539.db2.gz	UHJFGJYVWKJKBH-IEZWGBDMSA-N	1	0	365.518	1.901	20	30		FDEDRO
CCN=c1ncc(N)cn1C(=O)[C@H]1CCCCN1Cc1ccccc1C#N	ZINC001183828015	963318720	/nfs/dbraw/zinc/31/87/20/963318720.db2.gz	AMPOWTWPHZKPAY-GOSISDBHSA-N	1	0	364.453	1.952	20	30		FDEDRO
Cc1[nH]c2ccc(C#N)cc2c1CC(=O)NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+]	ZINC001183891263	963327310	/nfs/dbraw/zinc/32/73/10/963327310.db2.gz	LUMOLKJUEWXVQU-GGPKGHCWSA-N	1	0	370.453	1.732	20	30		FDEDRO
C#C[C@@H](NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)[C@@H]1CCCO1	ZINC000773563221	963410057	/nfs/dbraw/zinc/41/00/57/963410057.db2.gz	VYYLEZKYVXVEIO-MSOLQXFVSA-N	1	0	363.502	1.749	20	30		FDEDRO
C#CC[C@]1(C(=O)n2c(C)ncc(C[NH3+])c2=N)CCCN1C(=O)OC(C)(C)C	ZINC001184102572	963430725	/nfs/dbraw/zinc/43/07/25/963430725.db2.gz	PLDYVQMNVZUDCM-LJQANCHMSA-N	1	0	373.457	1.563	20	30		FDEDRO
CCOC(=O)C1([C@H](C)[NH2+]CC(=O)Nc2sccc2C#N)CCOCC1	ZINC001176656694	963519647	/nfs/dbraw/zinc/51/96/47/963519647.db2.gz	KXTQVBSWKDSIKA-LBPRGKRZSA-N	1	0	365.455	1.896	20	30		FDEDRO
CCCC[C@H](NC=O)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC001184595603	963657958	/nfs/dbraw/zinc/65/79/58/963657958.db2.gz	JHERXLGROPEXEG-SFHVURJKSA-N	1	0	356.470	1.966	20	30		FDEDRO
CO/N=C(\C(=O)N(c1ccnc(OC)c1)C1CC[NH2+]CC1)c1ccco1	ZINC001177352174	963795417	/nfs/dbraw/zinc/79/54/17/963795417.db2.gz	JZCGQQUDJHKUAG-FXBPSFAMSA-N	1	0	358.398	1.819	20	30		FDEDRO
C=CC[C@@H](CO)C[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl	ZINC000774828612	963801347	/nfs/dbraw/zinc/80/13/47/963801347.db2.gz	WGEWGQQORHDRKT-OLZOCXBDSA-N	1	0	361.895	1.479	20	30		FDEDRO
COc1ccc2c(c1)C(=NOCC(=O)NC1CC[NH+](C3CC3)CC1)CCO2	ZINC000774848656	963897805	/nfs/dbraw/zinc/89/78/05/963897805.db2.gz	BYLXFRWDLYPBKR-UHFFFAOYSA-N	1	0	373.453	1.941	20	30		FDEDRO
CC(C)C[C@@H](C(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1	ZINC001110211601	963902498	/nfs/dbraw/zinc/90/24/98/963902498.db2.gz	MITADTDWRUNKCK-XWSJACJDSA-N	1	0	368.481	1.927	20	30		FDEDRO
C=CCCc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c(=O)[nH]1	ZINC001185358359	963915012	/nfs/dbraw/zinc/91/50/12/963915012.db2.gz	HZNNTPZVMGJYQB-CALCHBBNSA-N	1	0	357.454	1.841	20	30		FDEDRO
CCOC(=O)C1CC[NH+](C2CCN(C(=O)C#Cc3cccnc3)CC2)CC1	ZINC001177773744	963948420	/nfs/dbraw/zinc/94/84/20/963948420.db2.gz	IVHDXXPWQVZGBI-UHFFFAOYSA-N	1	0	369.465	1.699	20	30		FDEDRO
O=C(C#Cc1cccnc1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001177776912	963949271	/nfs/dbraw/zinc/94/92/71/963949271.db2.gz	HZIRZEMOZXFIIO-VQTJNVASSA-N	1	0	362.433	1.330	20	30		FDEDRO
O=C(C#Cc1ccccn1)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001177800757	963974127	/nfs/dbraw/zinc/97/41/27/963974127.db2.gz	IAAVSPIIOBWNQN-ICSRJNTNSA-N	1	0	365.408	1.936	20	30		FDEDRO
C[NH+](C)CCOCc1ncn2c1CN(C(=O)C#Cc1ccccn1)CCC2	ZINC001177801977	963975745	/nfs/dbraw/zinc/97/57/45/963975745.db2.gz	QPYHQOSIEKNORM-UHFFFAOYSA-N	1	0	367.453	1.140	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+][C@@H]2CCN(C(=O)[C@H]3OCC[C@H]3C)C2)c1	ZINC001185731654	964079731	/nfs/dbraw/zinc/07/97/31/964079731.db2.gz	YDIKTQVKOAHVOC-BJZITVGISA-N	1	0	355.438	1.222	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C2CCCCC2)C1	ZINC001185750183	964104252	/nfs/dbraw/zinc/10/42/52/964104252.db2.gz	UXCIONBIZIAXTE-NXHRZFHOSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1C(=O)NC(C)(C)C1=O	ZINC001110371615	964161390	/nfs/dbraw/zinc/16/13/90/964161390.db2.gz	SYTPECBAOOSXRB-KFWWJZLASA-N	1	0	362.474	1.395	20	30		FDEDRO
C=CCN(C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)C(C)C	ZINC000774957111	964217339	/nfs/dbraw/zinc/21/73/39/964217339.db2.gz	SGRSKNMWLDNWFY-UHFFFAOYSA-N	1	0	372.513	1.343	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)NC[C@@H]1C[N@H+](CCO)CC[C@@H]1c1ccc(F)cc1	ZINC001186190267	964341336	/nfs/dbraw/zinc/34/13/36/964341336.db2.gz	ZRLRPOQUVKCBNN-KVSKMBFKSA-N	1	0	362.445	1.378	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H](C)CC(N)=O)C1	ZINC001186196932	964346733	/nfs/dbraw/zinc/34/67/33/964346733.db2.gz	YPMSGGNHDCUUDA-QGPMSJSTSA-N	1	0	359.445	1.492	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cc2nc[nH]n2)C1	ZINC001186204079	964351542	/nfs/dbraw/zinc/35/15/42/964351542.db2.gz	YEWPQNGEARCIFD-NVXWUHKLSA-N	1	0	357.433	1.894	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CNC(N)=O)C1	ZINC001186171716	964354880	/nfs/dbraw/zinc/35/48/80/964354880.db2.gz	FUUWEONKEXSPLW-NVXWUHKLSA-N	1	0	362.449	1.592	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CNC(=O)OC)C1	ZINC001186171784	964355673	/nfs/dbraw/zinc/35/56/73/964355673.db2.gz	IKKGULNRBGMPDB-NVXWUHKLSA-N	1	0	361.417	1.337	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2c2ccccc2)C1	ZINC001186234536	964365489	/nfs/dbraw/zinc/36/54/89/964365489.db2.gz	JJPYMUWUZFDZFO-ZHALLVOQSA-N	1	0	357.454	1.052	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)C1	ZINC001186206392	964373700	/nfs/dbraw/zinc/37/37/00/964373700.db2.gz	OERJTRKZFMMOGV-IXDOHACOSA-N	1	0	361.873	1.936	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCN(C(=O)c2ccccc2C#N)CC1	ZINC001178701890	964383449	/nfs/dbraw/zinc/38/34/49/964383449.db2.gz	QESZWCVFVWPBPP-GOSISDBHSA-N	1	0	354.454	1.763	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC12CCOCC2	ZINC001186424898	964504377	/nfs/dbraw/zinc/50/43/77/964504377.db2.gz	MTKFAUOZJOQQMQ-QKDSSNGWSA-N	1	0	358.482	1.278	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCO)C2(C1)CCOCC2	ZINC001186530957	964550417	/nfs/dbraw/zinc/55/04/17/964550417.db2.gz	SCVDYDJFTLWKRX-SQNIBIBYSA-N	1	0	366.502	1.195	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCOC)[C@@H]2C1	ZINC001186612412	964584347	/nfs/dbraw/zinc/58/43/47/964584347.db2.gz	KRGIZWJCMWHEEM-YESZJQIVSA-N	1	0	351.491	1.369	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(OCCC)c(OC)c2)CC1	ZINC000775036402	964587984	/nfs/dbraw/zinc/58/79/84/964587984.db2.gz	YTQXNQNRGBZDDL-KRWDZBQOSA-N	1	0	373.497	1.912	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CCO[C@H]1CC	ZINC001179090190	964713357	/nfs/dbraw/zinc/71/33/57/964713357.db2.gz	XBJZBXOWVNIKAL-ZACQAIPSSA-N	1	0	353.507	1.758	20	30		FDEDRO
C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	ZINC001179097950	964718236	/nfs/dbraw/zinc/71/82/36/964718236.db2.gz	VQSWWFZGHJVVKX-MOPGFXCFSA-N	1	0	365.518	1.156	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOc1ccccc1OC	ZINC001110385109	964783953	/nfs/dbraw/zinc/78/39/53/964783953.db2.gz	LZRCMUBLFRNFGW-ZACQAIPSSA-N	1	0	360.454	1.998	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[C@@H](C)O2)[C@H]1C	ZINC001179565359	964901588	/nfs/dbraw/zinc/90/15/88/964901588.db2.gz	FUAGWWPMVPVPCY-LTIDMASMSA-N	1	0	351.491	1.558	20	30		FDEDRO
C=CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1	ZINC001179572975	964904247	/nfs/dbraw/zinc/90/42/47/964904247.db2.gz	JKRDRFIFDFIBIQ-DLBZAZTESA-N	1	0	351.491	1.609	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)CNC(=O)C4CC4)[C@@H]3C2)cc1	ZINC001187017317	964931425	/nfs/dbraw/zinc/93/14/25/964931425.db2.gz	WFAUSAGCBXHGMF-ZWKOTPCHSA-N	1	0	352.438	1.117	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CCCCCCNC(=O)[C@H]2CC[C@@H](C)O2)C1=O	ZINC001179645881	964933019	/nfs/dbraw/zinc/93/30/19/964933019.db2.gz	HYPXSKSYDUCSPK-IXDOHACOSA-N	1	0	351.491	1.607	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1CC	ZINC001179634549	964941036	/nfs/dbraw/zinc/94/10/36/964941036.db2.gz	SYIOSPFVOPVNKE-HUUCEWRRSA-N	1	0	352.479	1.311	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCCCCC[NH2+]CC(=O)NC1CC1	ZINC001179781078	964975397	/nfs/dbraw/zinc/97/53/97/964975397.db2.gz	ILKBCNFXXGAJTJ-HKUYNNGSSA-N	1	0	365.518	1.903	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCCCCC[NH2+][C@H]1CCCNC1=O	ZINC001179781027	964975476	/nfs/dbraw/zinc/97/54/76/964975476.db2.gz	FMWKFOVGUVFZFM-BZSNNMDCSA-N	1	0	365.518	1.903	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)CCc1ccccc1	ZINC001110389006	964983535	/nfs/dbraw/zinc/98/35/35/964983535.db2.gz	LRUPQTPIYMHTLE-WCIQWLHISA-N	1	0	358.482	1.904	20	30		FDEDRO
COc1cc2c(cc1OC)C(=O)C1(CC[NH+](C)CC1)N(C(=O)[C@@H](C)C#N)C2	ZINC001179896123	965020202	/nfs/dbraw/zinc/02/02/02/965020202.db2.gz	QKHRWUQQLWDJNQ-ZDUSSCGKSA-N	1	0	371.437	1.853	20	30		FDEDRO
Cc1noc(C)c1S(=O)(=O)N(CC1([NH3+])CCCCC1)C(=O)[C@H](C)C#N	ZINC001179902716	965040963	/nfs/dbraw/zinc/04/09/63/965040963.db2.gz	RMYFYGZWEFRUBR-LLVKDONJSA-N	1	0	368.459	1.630	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COc1ccccc1	ZINC001110390449	965056682	/nfs/dbraw/zinc/05/66/82/965056682.db2.gz	NPLBUIFYAALHHM-RWQQGDIJSA-N	1	0	360.454	1.350	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@@H+](CCCOCC(F)(F)F)C[C@H]21	ZINC001187281653	965163062	/nfs/dbraw/zinc/16/30/62/965163062.db2.gz	ZAUOPPDHOWXZRM-UONOGXRCSA-N	1	0	350.381	1.691	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](CCOCC(F)(F)C(F)F)C[C@H]21	ZINC001187319785	965241336	/nfs/dbraw/zinc/24/13/36/965241336.db2.gz	DOKXEGUYZZDQJQ-SDDRHHMPSA-N	1	0	351.344	1.596	20	30		FDEDRO
COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)Nc1nnccc1C#N	ZINC001180405055	965307103	/nfs/dbraw/zinc/30/71/03/965307103.db2.gz	DGPFUCNWABBLIL-JKSUJKDBSA-N	1	0	365.393	1.208	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@H]2C[N@H+](CCCO[C@@H]3CCOC3)C[C@H]21	ZINC001187472125	965383514	/nfs/dbraw/zinc/38/35/14/965383514.db2.gz	AIOUVCPNPAEHLX-IPMKNSEASA-N	1	0	366.502	1.698	20	30		FDEDRO
CC(C)N(C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1)C(C)C	ZINC001187529339	965471059	/nfs/dbraw/zinc/47/10/59/965471059.db2.gz	AQNZRBISXJKRLB-MAUKXSAKSA-N	1	0	371.485	1.678	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CCCO[C@H]4CCOC4)C[C@H]32)[nH]1	ZINC001187547055	965489706	/nfs/dbraw/zinc/48/97/06/965489706.db2.gz	ROPSRDOVOAUCFD-QILLFSRXSA-N	1	0	358.442	1.228	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3C(C)C)C[C@H]21	ZINC001187591157	965509602	/nfs/dbraw/zinc/50/96/02/965509602.db2.gz	DEPQYIGRKGEQEH-AZUAARDMSA-N	1	0	367.493	1.982	20	30		FDEDRO
C#CCCCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@H]21	ZINC001187591487	965509767	/nfs/dbraw/zinc/50/97/67/965509767.db2.gz	OUCWBINWBLOXCL-QXAKKESOSA-N	1	0	357.498	1.866	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(Cl)c3)C[C@H]21	ZINC001187605928	965557004	/nfs/dbraw/zinc/55/70/04/965557004.db2.gz	YQUSHGGWYRJOQE-DOTOQJQBSA-N	1	0	359.857	1.512	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H](CC#N)C(=O)N1CC[NH+](CCC(C)(C)O)CC1	ZINC001180780720	965591799	/nfs/dbraw/zinc/59/17/99/965591799.db2.gz	CITZBPJBUPKBFP-AWEZNQCLSA-N	1	0	368.478	1.099	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C(N)=O)c3)C[C@H]21	ZINC001187763870	965730557	/nfs/dbraw/zinc/73/05/57/965730557.db2.gz	VQQYOUMLVHFYIF-SQGPQFPESA-N	1	0	357.454	1.145	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ncc[nH]3)[C@@H]2C1	ZINC001187803496	965746589	/nfs/dbraw/zinc/74/65/89/965746589.db2.gz	CGYODHPOGXGZGF-OWCLPIDISA-N	1	0	359.474	1.369	20	30		FDEDRO
CNC(=O)c1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C#CC(C)C)[C@@H]3C2)c1	ZINC001187848601	965786482	/nfs/dbraw/zinc/78/64/82/965786482.db2.gz	BZPAJXNMWROSFS-RBUKOAKNSA-N	1	0	353.466	1.738	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](CCCOCC(F)(F)F)C[C@H]21	ZINC001187866104	965811040	/nfs/dbraw/zinc/81/10/40/965811040.db2.gz	ZNYITCPOMOKDBY-SOUVJXGZSA-N	1	0	362.392	1.526	20	30		FDEDRO
Cc1cccc(OC[C@H](O)C[N@@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)c1	ZINC001187833400	965826578	/nfs/dbraw/zinc/82/65/78/965826578.db2.gz	NQTQSGFWDOUBKV-QKNQBKEWSA-N	1	0	368.477	1.681	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(NC(C)=O)c3)C[C@H]21	ZINC001187882613	965883498	/nfs/dbraw/zinc/88/34/98/965883498.db2.gz	RTPVDIWKDJPFTQ-MOXGXCLJSA-N	1	0	369.465	1.716	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@H+](C[C@H](O)CN3CCCC3=O)C[C@H]21	ZINC001188064048	965987813	/nfs/dbraw/zinc/98/78/13/965987813.db2.gz	YOSHQPYSFBXIHQ-YESZJQIVSA-N	1	0	363.502	1.105	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(Br)n[nH]3)[C@@H]2C1	ZINC001188087733	965999700	/nfs/dbraw/zinc/99/97/00/965999700.db2.gz	ZBMBGIIFGQOZFA-WCQYABFASA-N	1	0	369.263	1.521	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ccc(C(F)F)n3)[C@@H]2C1	ZINC001188165678	966071061	/nfs/dbraw/zinc/07/10/61/966071061.db2.gz	QRQXSZIEQAUKBQ-DZGCQCFKSA-N	1	0	352.385	1.003	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c(C)nc[nH]c3=O)[C@@H]2C1	ZINC001188435665	966287276	/nfs/dbraw/zinc/28/72/76/966287276.db2.gz	MAJNPKRRTYAURC-DOTOQJQBSA-N	1	0	360.458	1.159	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4nnc(C)n4c3)[C@@H]2C1	ZINC001188413068	966307017	/nfs/dbraw/zinc/30/70/17/966307017.db2.gz	DEJKHKKLUPJTFM-DOTOQJQBSA-N	1	0	355.442	1.387	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(c3)CCC(=O)N4)[C@@H]2C1	ZINC001188503158	966379845	/nfs/dbraw/zinc/37/98/45/966379845.db2.gz	WZHJNROXPLHLMB-PKOBYXMFSA-N	1	0	367.449	1.367	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1	ZINC000964506213	1013654488	/nfs/dbraw/zinc/65/44/88/1013654488.db2.gz	HMGOCKGHYKVPLQ-ATZDWAIDSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC(C)(C)COC)[C@@H]2C1	ZINC001188636976	966483351	/nfs/dbraw/zinc/48/33/51/966483351.db2.gz	ZIRPDOSCAAWQNG-HRCADAONSA-N	1	0	351.491	1.273	20	30		FDEDRO
C#Cc1ccc(C(=O)NCC(=O)N2CC[NH+](C3CCCCC3)CC2)cc1	ZINC001188742546	966551194	/nfs/dbraw/zinc/55/11/94/966551194.db2.gz	DMDKHQRSTUVZCR-UHFFFAOYSA-N	1	0	353.466	1.875	20	30		FDEDRO
Cc1ccc(CN(C)C(=O)CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H](C)C#N)C3)o1	ZINC001110401853	966556683	/nfs/dbraw/zinc/55/66/83/966556683.db2.gz	PPRRDQHRXHFLNW-WNOSKKOXSA-N	1	0	358.442	1.428	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4cc(OC)ccc4[nH]3)[C@@H]2C1	ZINC001188971600	966682527	/nfs/dbraw/zinc/68/25/27/966682527.db2.gz	XTTQMGPPFYIHFU-MGPUTAFESA-N	1	0	367.449	1.973	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cccc(C)c3)[C@@H]2C1	ZINC001188992119	966689838	/nfs/dbraw/zinc/68/98/38/966689838.db2.gz	QKPZPBRIBNYPSN-YTQUADARSA-N	1	0	355.482	1.761	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CC[C@H]3C[N@@H+](CCOCC(F)F)C[C@H]32)nn1	ZINC001189382202	966931557	/nfs/dbraw/zinc/93/15/57/966931557.db2.gz	CJNLRECYKYRLDG-DZGCQCFKSA-N	1	0	369.416	1.282	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccnc(NC(C)=O)c3)[C@@H]2C1	ZINC001189471304	966983694	/nfs/dbraw/zinc/98/36/94/966983694.db2.gz	SAKPRUQTMFTOKJ-DLBZAZTESA-N	1	0	358.442	1.389	20	30		FDEDRO
Cc1cc(C#N)ccc1C[N@H+](CCNC(=O)OC(C)(C)C)C[C@@H](O)CO	ZINC000852179444	967059800	/nfs/dbraw/zinc/05/98/00/967059800.db2.gz	GMHRBHDKSPTAOJ-QGZVFWFLSA-N	1	0	363.458	1.547	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(C[C@H]4CCOC4)nn3)[C@@H]2C1	ZINC001189584088	967087350	/nfs/dbraw/zinc/08/73/50/967087350.db2.gz	NRBIWEFDQLAFFG-SOLBZPMBSA-N	1	0	359.474	1.427	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]ncc1C(F)(F)F)C2	ZINC001110647604	967270173	/nfs/dbraw/zinc/27/01/73/967270173.db2.gz	FREWOEHDJQSQEU-RTXFEEFZSA-N	1	0	358.364	1.966	20	30		FDEDRO
C#C[C@H](NC(=O)NCC1CC[NH+](C2CCOCC2)CC1)C1CCOCC1	ZINC000852429617	967295532	/nfs/dbraw/zinc/29/55/32/967295532.db2.gz	SDDGVRSRCGKWRD-IBGZPJMESA-N	1	0	363.502	1.605	20	30		FDEDRO
C[NH+](C)CCOCC(=O)N1CC[C@H]2CN(Cc3ccc(C#N)s3)C[C@H]21	ZINC001189801764	967304114	/nfs/dbraw/zinc/30/41/14/967304114.db2.gz	LTIFHHQMNAZPFJ-WMLDXEAASA-N	1	0	362.499	1.231	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3n[nH]c(=O)c4ccccc43)[C@@H]2C1	ZINC001189890642	967401111	/nfs/dbraw/zinc/40/11/11/967401111.db2.gz	FTPVQHZVFVMILQ-WMLDXEAASA-N	1	0	366.421	1.132	20	30		FDEDRO
C#CCNC(=O)C[NH+]1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1	ZINC000852600816	967457803	/nfs/dbraw/zinc/45/78/03/967457803.db2.gz	FNCITXWIMYJUAP-CQSZACIVSA-N	1	0	359.392	1.249	20	30		FDEDRO
COC(=O)C1(C#N)CCN(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)CC1	ZINC000852600603	967457855	/nfs/dbraw/zinc/45/78/55/967457855.db2.gz	CNASMIUQTNAMEQ-HNNXBMFYSA-N	1	0	350.463	1.595	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cccc(OC)c3)[C@@H]2C1	ZINC001190020018	967469932	/nfs/dbraw/zinc/46/99/32/967469932.db2.gz	UNADRQKQKIVBSC-VDZJLULYSA-N	1	0	371.481	1.461	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(F)cc3)[C@@H]2C1	ZINC001189999102	967489579	/nfs/dbraw/zinc/48/95/79/967489579.db2.gz	KQLYBDFDQGYMKI-QILLFSRXSA-N	1	0	359.445	1.592	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CO[C@@H](C)c3nccn3C)[C@@H]2C1	ZINC001189999418	967490828	/nfs/dbraw/zinc/49/08/28/967490828.db2.gz	SJWZOKMCFJJTMJ-YESZJQIVSA-N	1	0	362.474	1.233	20	30		FDEDRO
C#C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1CCOCC1	ZINC000852642226	967494438	/nfs/dbraw/zinc/49/44/38/967494438.db2.gz	JMTRDCSYVWTYCF-OTWHNJEPSA-N	1	0	363.502	1.482	20	30		FDEDRO
COc1ccc(N2CC[NH+](C[C@@H](O)CN3CC[C@@](C)(C#N)C3)CC2)cc1	ZINC000852684019	967528582	/nfs/dbraw/zinc/52/85/82/967528582.db2.gz	ADDDFOBGLQTCBB-QUCCMNQESA-N	1	0	358.486	1.414	20	30		FDEDRO
C#CCC[N@@H+](CCOC)CCC(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000852751408	967577899	/nfs/dbraw/zinc/57/78/99/967577899.db2.gz	BDEZJBOXKSNMEN-UHFFFAOYSA-N	1	0	361.461	1.836	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1	ZINC001190168359	967619561	/nfs/dbraw/zinc/61/95/61/967619561.db2.gz	PVJTYZWPLRIOAY-ZWKOTPCHSA-N	1	0	362.518	1.040	20	30		FDEDRO
COC(=O)C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)c1ccc(OC)c(OC)c1	ZINC000852805839	967620090	/nfs/dbraw/zinc/62/00/90/967620090.db2.gz	AGXDNBGZBGCSTK-MRXNPFEDSA-N	1	0	374.437	1.427	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCCN(C(=O)c2ccc(F)cc2)CC1	ZINC000852809826	967623047	/nfs/dbraw/zinc/62/30/47/967623047.db2.gz	MRKLHSVORMNHQJ-UHFFFAOYSA-N	1	0	357.429	1.503	20	30		FDEDRO
CC[C@H]([NH2+]C)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1	ZINC000852816734	967628854	/nfs/dbraw/zinc/62/88/54/967628854.db2.gz	DVMGYWWXUSYLMW-SQQITKIUSA-N	1	0	352.460	1.436	20	30		FDEDRO
Cc1ccc(CC(=O)N2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)cc1	ZINC000852831351	967641857	/nfs/dbraw/zinc/64/18/57/967641857.db2.gz	RZLVVFIXXKRNOZ-UHFFFAOYSA-N	1	0	353.466	1.211	20	30		FDEDRO
COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)C#CC1CC[NH2+]CC1	ZINC000852842647	967650258	/nfs/dbraw/zinc/65/02/58/967650258.db2.gz	DNIBBVGHNCTXLK-SFHVURJKSA-N	1	0	369.465	1.936	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)[C@@H]2C1	ZINC001190194478	967651485	/nfs/dbraw/zinc/65/14/85/967651485.db2.gz	SAFPQHURXWDSNB-ARFHVFGLSA-N	1	0	357.520	1.181	20	30		FDEDRO
C=CC[C@@]1(C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)CCC[NH2+]1	ZINC000852857794	967661889	/nfs/dbraw/zinc/66/18/89/967661889.db2.gz	GIWKQSZMDRLIIS-SFHVURJKSA-N	1	0	362.861	1.913	20	30		FDEDRO
NC(=O)[C@H]1CCCN1Cc1cccc(NC(=O)C#CC2CC[NH2+]CC2)c1	ZINC000852860788	967666549	/nfs/dbraw/zinc/66/65/49/967666549.db2.gz	VAJKHNBQJDUCKR-GOSISDBHSA-N	1	0	354.454	1.078	20	30		FDEDRO
C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)C#CC1CC[NH2+]CC1	ZINC000852865594	967670692	/nfs/dbraw/zinc/67/06/92/967670692.db2.gz	IWVMODRVSIJIAB-LJQANCHMSA-N	1	0	369.509	1.739	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C)nc4cc(C)nn43)[C@@H]2C1	ZINC001190212771	967672679	/nfs/dbraw/zinc/67/26/79/967672679.db2.gz	IMLJNZQKCGACQL-FUHWJXTLSA-N	1	0	369.469	1.695	20	30		FDEDRO
CC[C@H](C)C(=O)NCC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001190213162	967674977	/nfs/dbraw/zinc/67/49/77/967674977.db2.gz	ZIUXDRVQHSYQSR-ZYSHUDEJSA-N	1	0	368.481	1.753	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCn2c(CCc3ccccc3)nnc2C1	ZINC000852869766	967675564	/nfs/dbraw/zinc/67/55/64/967675564.db2.gz	LEZQALTZLKZOMU-UHFFFAOYSA-N	1	0	363.465	1.409	20	30		FDEDRO
C[C@]1(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CC1(Br)Br	ZINC000852874645	967681632	/nfs/dbraw/zinc/68/16/32/967681632.db2.gz	BSVFLJAKLJCVNX-LKEWCRSYSA-N	1	0	351.042	1.110	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](Cc3ccccc3)OC)[C@@H]2C1	ZINC001190240708	967687835	/nfs/dbraw/zinc/68/78/35/967687835.db2.gz	NNZFGNJNZVEVPQ-XUVXKRRUSA-N	1	0	358.482	1.979	20	30		FDEDRO
COC(=O)[C@H](NC(=O)C#CC1CC[NH2+]CC1)c1ccc(Cl)c(F)c1	ZINC000852888829	967691413	/nfs/dbraw/zinc/69/14/13/967691413.db2.gz	MSRQQJFQLRHCFE-MRXNPFEDSA-N	1	0	352.793	1.812	20	30		FDEDRO
CCOCCOCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001190386358	967788856	/nfs/dbraw/zinc/78/88/56/967788856.db2.gz	NSRPETYQPIOJAU-RBUKOAKNSA-N	1	0	357.454	1.644	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]21	ZINC001190425188	967840192	/nfs/dbraw/zinc/84/01/92/967840192.db2.gz	QCRLEPXFYNWJEN-JKSUJKDBSA-N	1	0	366.506	1.210	20	30		FDEDRO
C#C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1	ZINC000853116053	967840528	/nfs/dbraw/zinc/84/05/28/967840528.db2.gz	PJXTXMDMDIXVQB-MRXNPFEDSA-N	1	0	352.412	1.387	20	30		FDEDRO
C#C[C@H](NC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1)C1CCOCC1	ZINC000853232357	967933625	/nfs/dbraw/zinc/93/36/25/967933625.db2.gz	AHXOTIPFAPCQCE-PMACEKPBSA-N	1	0	371.481	1.615	20	30		FDEDRO
C=C[C@H](CO)NC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000853247950	967943761	/nfs/dbraw/zinc/94/37/61/967943761.db2.gz	HOMYGFCDMZDEPL-MRXNPFEDSA-N	1	0	362.474	1.053	20	30		FDEDRO
N#Cc1ccc(C(=O)N(c2ncccc2F)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)nc1	ZINC001190583523	967968439	/nfs/dbraw/zinc/96/84/39/967968439.db2.gz	CYCQCTALINHLCI-KUHUBIRLSA-N	1	0	367.384	1.655	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(C(=O)NCCNc2ccc(C#N)cn2)CCO1	ZINC000853384870	967996742	/nfs/dbraw/zinc/99/67/42/967996742.db2.gz	VZNQZISDZOSZTB-INIZCTEOSA-N	1	0	360.462	1.117	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCCC2N=NC(=S)N2C2CC2)CC1	ZINC000853692742	968253637	/nfs/dbraw/zinc/25/36/37/968253637.db2.gz	ZEIBWWOPRRZXDJ-UHFFFAOYSA-N	1	0	350.492	1.394	20	30		FDEDRO
C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCC[N@H+]1CCOC	ZINC000853712151	968266845	/nfs/dbraw/zinc/26/68/45/968266845.db2.gz	KSXMQJLTRLGWOT-OAHLLOKOSA-N	1	0	353.463	1.084	20	30		FDEDRO
C#CCNC(=O)c1ccc(NCC2CC[NH+](C3CCOCC3)CC2)nc1	ZINC000853756414	968293790	/nfs/dbraw/zinc/29/37/90/968293790.db2.gz	SGVYRYAOUNNHBR-UHFFFAOYSA-N	1	0	356.470	1.748	20	30		FDEDRO
N#Cc1cc2c(n(CC3OCCO3)c1=O)CC[N@@H+](Cc1ccccc1)C2	ZINC000853756879	968294572	/nfs/dbraw/zinc/29/45/72/968294572.db2.gz	AFGZUOIFDOSZDY-UHFFFAOYSA-N	1	0	351.406	1.651	20	30		FDEDRO
COCC[C@H](c1ccccc1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1	ZINC001191162367	968306954	/nfs/dbraw/zinc/30/69/54/968306954.db2.gz	SGJKZIZLKWPGQF-BRWVUGGUSA-N	1	0	363.483	1.182	20	30		FDEDRO
C[C@H](CCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[NH+](C)C	ZINC000853990526	968504948	/nfs/dbraw/zinc/50/49/48/968504948.db2.gz	PHTBVURBLHKHRL-HZSPNIEDSA-N	1	0	353.467	1.385	20	30		FDEDRO
C#CC[NH+]1CCC(c2nc(-c3ccc(N4CC[NH+](C)CC4)cn3)no2)CC1	ZINC000854087320	968583455	/nfs/dbraw/zinc/58/34/55/968583455.db2.gz	GEDWCWRTZBDMCK-UHFFFAOYSA-N	1	0	366.469	1.696	20	30		FDEDRO
N#Cc1cc(C(=O)N(Cc2noc3c2C[NH2+]CC3)c2ncccn2)ccn1	ZINC001191549038	968606836	/nfs/dbraw/zinc/60/68/36/968606836.db2.gz	ULFVUHVWTVRDKN-UHFFFAOYSA-N	1	0	361.365	1.224	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)cc1	ZINC000854113687	968607050	/nfs/dbraw/zinc/60/70/50/968607050.db2.gz	QYUIGIMVQXRIFM-LJQANCHMSA-N	1	0	359.470	1.951	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O	ZINC001191622592	968629477	/nfs/dbraw/zinc/62/94/77/968629477.db2.gz	SGXNUIQJNLJSNN-BFHYXJOUSA-N	1	0	368.396	1.098	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](CCOc2cccc3ccccc32)C[C@H]1O	ZINC001191755046	968758363	/nfs/dbraw/zinc/75/83/63/968758363.db2.gz	GPLMTAOXLWBRIR-RTBURBONSA-N	1	0	370.449	1.583	20	30		FDEDRO
COc1ccc(-c2cc(CN3C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C3)on2)cc1	ZINC001191880586	968831977	/nfs/dbraw/zinc/83/19/77/968831977.db2.gz	BKRLRRQYPVXFFW-NXOUGTEYSA-N	1	0	370.409	1.171	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](CCCOc2ccc(Cl)cc2)C[C@H]1O	ZINC001191882047	968833429	/nfs/dbraw/zinc/83/34/29/968833429.db2.gz	PQWAOOVQJVDGJT-APHBMKBZSA-N	1	0	351.834	1.430	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(CC(C)C)CCNC1=O)C2	ZINC001110687287	968915313	/nfs/dbraw/zinc/91/53/13/968915313.db2.gz	HASQOZKPXRYMHQ-PDOICOKGSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCOCC(F)(F)F)C1	ZINC001192426754	969103628	/nfs/dbraw/zinc/10/36/28/969103628.db2.gz	RURLRDGXPLEDGT-MCIONIFRSA-N	1	0	350.381	1.689	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@H+](CCCOc2ccc(OC)cc2)C[C@H]1O	ZINC001192525703	969172176	/nfs/dbraw/zinc/17/21/76/969172176.db2.gz	YLSULIAUHAOCHA-RTBURBONSA-N	1	0	360.454	1.429	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C3CCC3)cc2)C[C@H]1O	ZINC001192531003	969175550	/nfs/dbraw/zinc/17/55/50/969175550.db2.gz	RRARQPKLNZSUTF-SFHLNBCPSA-N	1	0	358.482	1.943	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCCc2ccc(Cl)cc2)C[C@H]1O	ZINC001192540749	969181735	/nfs/dbraw/zinc/18/17/35/969181735.db2.gz	SUWKVOMAFSUXHE-LMMKCTJWSA-N	1	0	366.889	1.761	20	30		FDEDRO
C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2c2ccccc2)C1	ZINC001192794681	969301596	/nfs/dbraw/zinc/30/15/96/969301596.db2.gz	NNEINSNSPXQJSE-GGPKGHCWSA-N	1	0	371.481	1.599	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@H](C)c2cccc(N3CCCC3)c2)CC1	ZINC000775548590	969317378	/nfs/dbraw/zinc/31/73/78/969317378.db2.gz	GDVCCZZOCLUXEG-GOSISDBHSA-N	1	0	354.498	1.715	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccc3c(c2)CCC3)C[C@H]1O	ZINC001192890737	969350522	/nfs/dbraw/zinc/35/05/22/969350522.db2.gz	BTMNNICGLVDBHB-CWFSZBLJSA-N	1	0	356.466	1.438	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1O	ZINC001192925234	969383325	/nfs/dbraw/zinc/38/33/25/969383325.db2.gz	YBYDJPKKUWILSY-KZNAEPCWSA-N	1	0	354.491	1.480	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C(C)(C)C)n2)C1	ZINC001193123442	969490187	/nfs/dbraw/zinc/49/01/87/969490187.db2.gz	QTVRIWBBLARPQM-ZIAGYGMSSA-N	1	0	352.483	1.173	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1	ZINC001193127696	969494298	/nfs/dbraw/zinc/49/42/98/969494298.db2.gz	UJODFFUYQUGIEY-FZCLSBEQSA-N	1	0	362.499	1.856	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O	ZINC001193232200	969562377	/nfs/dbraw/zinc/56/23/77/969562377.db2.gz	UXTNYWRLDBOZDI-GUDVDZBRSA-N	1	0	350.503	1.857	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3c2oc(=O)n3C)C1	ZINC001193738414	969824015	/nfs/dbraw/zinc/82/40/15/969824015.db2.gz	TZMANFCFEGCJRZ-XNRPHZJLSA-N	1	0	359.426	1.261	20	30		FDEDRO
COc1ccc(C#N)c(S(=O)(=O)NC2CCN(c3cc[nH+]cc3)CC2)c1	ZINC001193705308	969831715	/nfs/dbraw/zinc/83/17/15/969831715.db2.gz	AOMWZCCYYGWOFM-UHFFFAOYSA-N	1	0	372.450	1.909	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1	ZINC001193857995	969897284	/nfs/dbraw/zinc/89/72/84/969897284.db2.gz	NQQBCTYMLSQJBL-TVFCKZIOSA-N	1	0	362.474	1.015	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3ccccc3n2)C1	ZINC001194168483	970030145	/nfs/dbraw/zinc/03/01/45/970030145.db2.gz	RKHNYYYZMDEGJP-QZTJIDSGSA-N	1	0	356.470	1.785	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnn1CC(F)(F)F)C2	ZINC001110696652	970132428	/nfs/dbraw/zinc/13/24/28/970132428.db2.gz	CHEDXFFTOKKYMV-MCIONIFRSA-N	1	0	372.391	1.983	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2ccncc2)C1	ZINC001194391313	970154508	/nfs/dbraw/zinc/15/45/08/970154508.db2.gz	NMBMKNWZWPPUKG-QZTJIDSGSA-N	1	0	369.469	1.993	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H](O)COc2ccc(CCOC)cc2)CC1	ZINC000855174622	970195677	/nfs/dbraw/zinc/19/56/77/970195677.db2.gz	LXKYTPKNQRFANP-LJQANCHMSA-N	1	0	374.481	1.077	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1	ZINC000855287865	970272441	/nfs/dbraw/zinc/27/24/41/970272441.db2.gz	WUKLHQLWRPNKIH-HNNXBMFYSA-N	1	0	363.483	1.201	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c2cccc3Cl)C1	ZINC001194746043	970353884	/nfs/dbraw/zinc/35/38/84/970353884.db2.gz	RFZLERDWXZJCQL-CGTJXYLNSA-N	1	0	364.873	1.734	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C/c1ccccc1	ZINC001110461914	970428731	/nfs/dbraw/zinc/42/87/31/970428731.db2.gz	NUNSYUPMCNKTRS-BCKYCOLUSA-N	1	0	351.450	1.561	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)C1	ZINC001194832415	970452109	/nfs/dbraw/zinc/45/21/09/970452109.db2.gz	OBMHHAYIGDTLBW-WTGUMLROSA-N	1	0	358.482	1.904	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nc(C)nn3C2)C1	ZINC001194886445	970496597	/nfs/dbraw/zinc/49/65/97/970496597.db2.gz	JFEKMTQLLXKHRC-BRWVUGGUSA-N	1	0	361.490	1.057	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](OCC)C2CCOCC2)C1	ZINC001195038327	970630841	/nfs/dbraw/zinc/63/08/41/970630841.db2.gz	UDUFSGPVRDDSOV-QRVBRYPASA-N	1	0	368.518	1.726	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCN(C(=O)C(C)C)CC2)C1	ZINC001195182660	970728120	/nfs/dbraw/zinc/72/81/20/970728120.db2.gz	XZKDPRBPLYMXHP-IAGOWNOFSA-N	1	0	351.491	1.009	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2COCCN2C(=O)OC(C)(C)C)CC1	ZINC000862989206	972561473	/nfs/dbraw/zinc/56/14/73/972561473.db2.gz	RXUKEYOPBOKZIJ-INIZCTEOSA-N	1	0	365.474	1.084	20	30		FDEDRO
C#C[C@H]([NH2+][C@@H](C)C(=O)N1CCN(c2ccccc2O)CC1)[C@H]1CCCO1	ZINC000775799878	972569328	/nfs/dbraw/zinc/56/93/28/972569328.db2.gz	NFWJCGNXLAXESW-TXPKVOOTSA-N	1	0	357.454	1.200	20	30		FDEDRO
C[N@@H+]1CCC(N=Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1(C)C	ZINC000863064532	972654973	/nfs/dbraw/zinc/65/49/73/972654973.db2.gz	KFOSESTUZLHGSC-UHFFFAOYSA-N	1	0	355.420	1.514	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC(C)C)NC(C)=O)C1	ZINC001197984994	972655763	/nfs/dbraw/zinc/65/57/63/972655763.db2.gz	UDIJFRMGGOOHQU-KZNAEPCWSA-N	1	0	353.507	1.445	20	30		FDEDRO
O=S1(=O)CCC[C@H](NN=Cc2ccc(OCC[NH+]3CCCC3)cc2)C1	ZINC000863128841	972671116	/nfs/dbraw/zinc/67/11/16/972671116.db2.gz	FJHCEJLGRHJDJE-KRWDZBQOSA-N	1	0	365.499	1.662	20	30		FDEDRO
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C=NNc1cc[nH+]c(C)c1	ZINC000863158585	972688123	/nfs/dbraw/zinc/68/81/23/972688123.db2.gz	IBWRSVDYSCXILT-CYBMUJFWSA-N	1	0	367.862	1.776	20	30		FDEDRO
COC(=O)CCC[NH+]1CCC(=NNC[C@H]2COc3ccccc3O2)CC1	ZINC000863201474	972700594	/nfs/dbraw/zinc/70/05/94/972700594.db2.gz	YFOPFJUHPZDWRF-INIZCTEOSA-N	1	0	361.442	1.821	20	30		FDEDRO
C=CCc1cc(C[N@H+]2CCC[C@@H](CS(=O)(=O)NC)C2)c(O)c(OC)c1	ZINC000863340572	972830409	/nfs/dbraw/zinc/83/04/09/972830409.db2.gz	LQQCXTQBZWELRN-OAHLLOKOSA-N	1	0	368.499	1.891	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@H]2O)CCOCC1	ZINC001198239354	972927183	/nfs/dbraw/zinc/92/71/83/972927183.db2.gz	IXSINYPYEUGDDI-QZTJIDSGSA-N	1	0	366.502	1.337	20	30		FDEDRO
CC(C)(C)CNC(=O)CON=C(N)c1ccc(CN2CCOCC2)cc1	ZINC000863456363	972934689	/nfs/dbraw/zinc/93/46/89/972934689.db2.gz	QITKPUAVHZTALQ-UHFFFAOYSA-N	1	0	362.474	1.318	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(CC[NH2+]C[C@@H](O)CC2(C#N)CC2)CC1	ZINC000863550994	973007612	/nfs/dbraw/zinc/00/76/12/973007612.db2.gz	HKROOCSYQHFJRW-HNNXBMFYSA-N	1	0	352.479	1.183	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@H](C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)C1CC1	ZINC000863553638	973011431	/nfs/dbraw/zinc/01/14/31/973011431.db2.gz	GUHFVDMMCPZOCX-JKSUJKDBSA-N	1	0	367.490	1.951	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]C[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)CC1	ZINC000863562563	973018012	/nfs/dbraw/zinc/01/80/12/973018012.db2.gz	LEULLBJQERHIGV-GXTWGEPZSA-N	1	0	352.818	1.789	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1	ZINC000863564510	973018941	/nfs/dbraw/zinc/01/89/41/973018941.db2.gz	YLBNYHLRTAIJAN-QGZVFWFLSA-N	1	0	363.483	1.066	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH2+]C[C@@H](O)c1ccc(C#N)cc1	ZINC000863581275	973032346	/nfs/dbraw/zinc/03/23/46/973032346.db2.gz	PKMGAPLULCOTOX-DLBZAZTESA-N	1	0	361.442	1.817	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COc2ccccc2OC)C1	ZINC001198592324	973293577	/nfs/dbraw/zinc/29/35/77/973293577.db2.gz	HTFWDDBXUNWRAP-IAGOWNOFSA-N	1	0	362.470	1.982	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2nc(C(C)(C)C)no2)C1	ZINC001198621842	973364257	/nfs/dbraw/zinc/36/42/57/973364257.db2.gz	IADLQWUXSZIEFI-ZIAGYGMSSA-N	1	0	350.463	1.427	20	30		FDEDRO
C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)c1ccccc1OC	ZINC001198902255	973632452	/nfs/dbraw/zinc/63/24/52/973632452.db2.gz	ISFJQZHLAXQWAG-HYVNUMGLSA-N	1	0	361.442	1.051	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2CN([C@@H](CCCC)C(N)=O)C[C@H]2O)CCCCC1	ZINC001198949894	973789704	/nfs/dbraw/zinc/78/97/04/973789704.db2.gz	IIJDPXPVKONATF-IXDOHACOSA-N	1	0	365.518	1.718	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(C)nn(C)c3n2)C1	ZINC001199096254	973911485	/nfs/dbraw/zinc/91/14/85/973911485.db2.gz	NXIRCBRNXFEMHX-JCURWCKSSA-N	1	0	357.458	1.406	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1O)[NH+]1CCCC1	ZINC001199128087	973929572	/nfs/dbraw/zinc/92/95/72/973929572.db2.gz	NNRZIOBWSWCZKR-AQNXPRMDSA-N	1	0	370.497	1.340	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1	ZINC000645264788	1014159530	/nfs/dbraw/zinc/15/95/30/1014159530.db2.gz	FUGQJUYMGPDJJB-GOSISDBHSA-N	1	0	359.470	1.217	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@@H+](CCCOc2ccc(F)cc2)C[C@H]1O	ZINC001199315177	974143346	/nfs/dbraw/zinc/14/33/46/974143346.db2.gz	WIXDDRSYXHOYLE-QZTJIDSGSA-N	1	0	366.433	1.349	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1cc2nc(Cl)ncc2s1	ZINC000867311151	974148965	/nfs/dbraw/zinc/14/89/65/974148965.db2.gz	KUURXEPJXMBDAL-UHFFFAOYSA-N	1	0	358.876	1.578	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccc3c(C#N)c[nH]c3c2)CC1	ZINC000865165214	974150255	/nfs/dbraw/zinc/15/02/55/974150255.db2.gz	ADYMBXYBCMQLLR-UHFFFAOYSA-N	1	0	367.453	1.666	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCC[C@@H]3CCOC3)C[C@H]2O)CCCCC1	ZINC001199277925	974159220	/nfs/dbraw/zinc/15/92/20/974159220.db2.gz	HSBSEKFMMCIHDP-GUDVDZBRSA-N	1	0	362.514	1.938	20	30		FDEDRO
COc1cccc([C@@H](C#N)NC(=O)c2cnn(CC[NH+](C)C)c2)c1OC	ZINC000865175003	974160750	/nfs/dbraw/zinc/16/07/50/974160750.db2.gz	NKSNAZLGKJKIGX-OAHLLOKOSA-N	1	0	357.414	1.457	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CC[N@@H+](CCc3ccc(S(N)(=O)=O)cc3)C2)nc1	ZINC000794833808	974200607	/nfs/dbraw/zinc/20/06/07/974200607.db2.gz	RPUILXGXQQELQO-INIZCTEOSA-N	1	0	372.450	1.296	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC(c3ccc(F)cc3)C2)C1	ZINC001199458597	974272770	/nfs/dbraw/zinc/27/27/70/974272770.db2.gz	DQSPITYHWQZYDC-LRMJVLKBSA-N	1	0	362.445	1.683	20	30		FDEDRO
CCCNC(=O)CN1CCC([NH2+]Cc2cc(C#N)ccc2N(C)C)CC1	ZINC000865412215	974282955	/nfs/dbraw/zinc/28/29/55/974282955.db2.gz	KRTHOQDETWJIOU-UHFFFAOYSA-N	1	0	357.502	1.704	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)CC2CCCCC2)C1	ZINC001199497710	974303515	/nfs/dbraw/zinc/30/35/15/974303515.db2.gz	IBNHRNHWBWFPKG-IAGOWNOFSA-N	1	0	351.491	1.201	20	30		FDEDRO
N#Cc1cc(C(F)(F)F)cc(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)n1	ZINC000865501256	974328732	/nfs/dbraw/zinc/32/87/32/974328732.db2.gz	UERSVUHJCQZJRX-NSHDSACASA-N	1	0	355.364	1.971	20	30		FDEDRO
C#CC[C@@H](CC(=O)N[C@@H]1C[N@H+](CCCCOC)C[C@H]1O)c1ccccc1	ZINC001199506975	974328960	/nfs/dbraw/zinc/32/89/60/974328960.db2.gz	ZAVUBXHHXGYBRP-XUVXKRRUSA-N	1	0	358.482	1.772	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+][C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1	ZINC000865522283	974337321	/nfs/dbraw/zinc/33/73/21/974337321.db2.gz	NKZIIFQDRFRYSI-FUHWJXTLSA-N	1	0	363.483	1.450	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]C[C@H]1CCCCN1S(C)(=O)=O	ZINC000865566752	974364270	/nfs/dbraw/zinc/36/42/70/974364270.db2.gz	PAXYWQJNIHVLTQ-MRXNPFEDSA-N	1	0	350.488	1.528	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCc1ccco1	ZINC001110539538	974411487	/nfs/dbraw/zinc/41/14/87/974411487.db2.gz	XORSIBWERUXFFV-JFRXWTBNSA-N	1	0	360.454	1.538	20	30		FDEDRO
N#Cc1ccc(C(=O)N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)[nH]1	ZINC001199677592	974456826	/nfs/dbraw/zinc/45/68/26/974456826.db2.gz	ADSKOSGJAGLPFT-XCRHUMRWSA-N	1	0	351.410	1.695	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H]1COc2ccccc2O1	ZINC001110540509	974461662	/nfs/dbraw/zinc/46/16/62/974461662.db2.gz	VYFQZUYPQWPLBM-XDNAFOTISA-N	1	0	352.434	1.961	20	30		FDEDRO
C=CCSc1ncccc1C(=O)NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+]	ZINC001199740523	974483083	/nfs/dbraw/zinc/48/30/83/974483083.db2.gz	VRTQTZUUYQQWAK-CKEIUWERSA-N	1	0	351.472	1.814	20	30		FDEDRO
C#CCOc1ccccc1C[NH2+]CCc1ccc(S(=O)(=O)NC)cc1	ZINC000865819244	974519844	/nfs/dbraw/zinc/51/98/44/974519844.db2.gz	PXJCQINAAHCLHZ-UHFFFAOYSA-N	1	0	358.463	1.939	20	30		FDEDRO
C=CCNC(=S)N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1	ZINC001200288832	974743705	/nfs/dbraw/zinc/74/37/05/974743705.db2.gz	RDCGGAIOYOVJIZ-HZPDHXFCSA-N	1	0	350.532	1.454	20	30		FDEDRO
C=CCNC(=S)N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2	ZINC001200288895	974743885	/nfs/dbraw/zinc/74/38/85/974743885.db2.gz	UEGPUGSMGBIKEL-SJLPKXTDSA-N	1	0	352.548	1.308	20	30		FDEDRO
C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccncc2)CCCO1	ZINC001200528344	974807932	/nfs/dbraw/zinc/80/79/32/974807932.db2.gz	IYLGWBSJLPHQIZ-OTWHNJEPSA-N	1	0	357.454	1.390	20	30		FDEDRO
O=C(N1CCCO[C@@H](C[NH2+]CC#Cc2ccccc2)C1)[C@]12C[C@H]1COC2	ZINC001200546760	974815568	/nfs/dbraw/zinc/81/55/68/974815568.db2.gz	IERZDUALEMXIID-ZJOUEHCJSA-N	1	0	354.450	1.282	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CCCO1	ZINC001200554274	974822628	/nfs/dbraw/zinc/82/26/28/974822628.db2.gz	HTTCYGBKENZNDM-XMTFNYHQSA-N	1	0	361.486	1.098	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)Nc2ccon2)CC1	ZINC001200635585	974851395	/nfs/dbraw/zinc/85/13/95/974851395.db2.gz	AGYLIHRCAQDOAC-CABCVRRESA-N	1	0	362.430	1.175	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@]23C[C@H]2COC3)CC1	ZINC001200671013	974863747	/nfs/dbraw/zinc/86/37/47/974863747.db2.gz	QBVOWPGQVCYLEX-GUXCAODWSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@]23CCOc2ccccc23)CCCO1	ZINC001200967649	974938870	/nfs/dbraw/zinc/93/88/70/974938870.db2.gz	VVPLHLQMVVMEBB-LZNRXBQRSA-N	1	0	368.477	1.957	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2ccsc2)CC1	ZINC001201261213	974993031	/nfs/dbraw/zinc/99/30/31/974993031.db2.gz	WONKWFBNRLZMQN-XOKHGSTOSA-N	1	0	359.495	1.570	20	30		FDEDRO
CN(C)c1cc[nH+]cc1C=NNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000776181714	975037657	/nfs/dbraw/zinc/03/76/57/975037657.db2.gz	ZIVBKHIDHLGAFH-UHFFFAOYSA-N	1	0	363.399	1.509	20	30		FDEDRO
C#C[C@H](NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO)[C@H]1CCCO1	ZINC000776176590	975050820	/nfs/dbraw/zinc/05/08/20/975050820.db2.gz	MWJYCYJUBBSCJW-SLFFLAALSA-N	1	0	371.481	1.623	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)CC1	ZINC001201584024	975088477	/nfs/dbraw/zinc/08/84/77/975088477.db2.gz	LPWPAMZSJKRGJK-JCGIZDLHSA-N	1	0	363.502	1.320	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2c2ccccc2)CCCO1	ZINC001201613244	975098517	/nfs/dbraw/zinc/09/85/17/975098517.db2.gz	YRJAUSJTKOOEHK-VAMGGRTRSA-N	1	0	356.466	1.790	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2C[C@]2(C)c2ccccc2)CC1	ZINC001201712154	975127790	/nfs/dbraw/zinc/12/77/90/975127790.db2.gz	KVXVGRBCYKUSMD-GTCCEBARSA-N	1	0	367.493	1.683	20	30		FDEDRO
C#C[C@H](NC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCO1	ZINC000776223437	975182722	/nfs/dbraw/zinc/18/27/22/975182722.db2.gz	AMLTYAGXBBYRBC-NLWGTHIKSA-N	1	0	357.454	1.103	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)CCC[NH+]2CCCC2)c1	ZINC000866546380	975771633	/nfs/dbraw/zinc/77/16/33/975771633.db2.gz	OBZWKNNAACSHKU-UHFFFAOYSA-N	1	0	363.483	1.354	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1	ZINC000866666663	975890092	/nfs/dbraw/zinc/89/00/92/975890092.db2.gz	UHPZNPJWJMGANG-QYZOEREBSA-N	1	0	357.454	1.991	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12	ZINC000847605957	975900824	/nfs/dbraw/zinc/90/08/24/975900824.db2.gz	LGOBVPNOFXWBEU-RDJZCZTQSA-N	1	0	373.428	1.909	20	30		FDEDRO
CN1C(=O)CC[C@H]1C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000847746355	976017040	/nfs/dbraw/zinc/01/70/40/976017040.db2.gz	FHPOVJJVHMQECX-KRWDZBQOSA-N	1	0	355.438	1.956	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cc1Br	ZINC000866824684	976114479	/nfs/dbraw/zinc/11/44/79/976114479.db2.gz	NSEZMZIPXMWYCQ-ZIAGYGMSSA-N	1	0	370.272	1.836	20	30		FDEDRO
O=C(N[C@H]1CCCN(O)C1=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F	ZINC000848133071	976359098	/nfs/dbraw/zinc/35/90/98/976359098.db2.gz	RZGCKBHTIBIVNT-GJZGRUSLSA-N	1	0	367.396	1.640	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)c(C)c1	ZINC000867581890	976422110	/nfs/dbraw/zinc/42/21/10/976422110.db2.gz	PVSFQHUYXXBDGS-UHFFFAOYSA-N	1	0	365.499	1.846	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@H]3[C@H](C(=O)OC)[C@H]3C2)c(OC)c1	ZINC000794972829	976423150	/nfs/dbraw/zinc/42/31/50/976423150.db2.gz	UQBXBGUTELWXFF-JEWRLFTDSA-N	1	0	361.438	1.514	20	30		FDEDRO
C[NH+]1CCC(CNS(=O)(=O)c2ccc(C#N)nc2)(c2ccccc2)CC1	ZINC000867705425	976685567	/nfs/dbraw/zinc/68/55/67/976685567.db2.gz	GEYLLFUSOJVMBY-UHFFFAOYSA-N	1	0	370.478	1.895	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2	ZINC000848402262	976719532	/nfs/dbraw/zinc/71/95/32/976719532.db2.gz	ZKCKJDMXSIOACZ-ZIAGYGMSSA-N	1	0	367.833	1.672	20	30		FDEDRO
N#C[C@@]1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCCOC1	ZINC000867798392	976885434	/nfs/dbraw/zinc/88/54/34/976885434.db2.gz	NUMIPOQKDALULV-QUCCMNQESA-N	1	0	357.454	1.714	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N[C@@H]1CCCN(c2ncccn2)C1	ZINC000867941093	977120485	/nfs/dbraw/zinc/12/04/85/977120485.db2.gz	BNFSPCPECAWZIO-SJLPKXTDSA-N	1	0	362.437	1.320	20	30		FDEDRO
COC(=O)CCN(C[C@H]1CCCO1)C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000867979851	977163802	/nfs/dbraw/zinc/16/38/02/977163802.db2.gz	OZUGMGYQBKDJFH-APWZRJJASA-N	1	0	371.437	1.316	20	30		FDEDRO
CCOC(=O)C[C@H](C)CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000849001570	977286944	/nfs/dbraw/zinc/28/69/44/977286944.db2.gz	COBWLFYWEQMDDM-KBPBESRZSA-N	1	0	368.478	1.456	20	30		FDEDRO
CCNC(NCC(=O)Nc1ccc(I)cc1)=[NH+]CC	ZINC000849002907	977287581	/nfs/dbraw/zinc/28/75/81/977287581.db2.gz	YGENBWSIEVONPY-UHFFFAOYSA-N	1	0	374.226	1.805	20	30		FDEDRO
CCNC(NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)=[NH+]CC	ZINC000849002371	977287950	/nfs/dbraw/zinc/28/79/50/977287950.db2.gz	IFHQQEGLQLDXNH-IBGZPJMESA-N	1	0	357.458	1.987	20	30		FDEDRO
C[NH+]=C(NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)NC1CC1	ZINC000849020023	977291621	/nfs/dbraw/zinc/29/16/21/977291621.db2.gz	VYPSEKSNLVFXGV-UHFFFAOYSA-N	1	0	365.377	1.686	20	30		FDEDRO
CN(C)C(=[NH+]Cc1ccccc1OCC(=O)NC[C@@H]1CCCO1)N(C)C	ZINC000849059115	977297848	/nfs/dbraw/zinc/29/78/48/977297848.db2.gz	CFEUNFQMBJOBKW-INIZCTEOSA-N	1	0	362.474	1.340	20	30		FDEDRO
CN1CCN(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)[C@@H](C[NH3+])C1	ZINC000868208988	977346511	/nfs/dbraw/zinc/34/65/11/977346511.db2.gz	FGWVOYHQHQZFJQ-UONOGXRCSA-N	1	0	355.364	1.446	20	30		FDEDRO
N#Cc1cccc([C@H](NC(=O)NC[C@@H]2C[NH2+]CCCO2)C(F)(F)F)c1	ZINC000868209092	977346555	/nfs/dbraw/zinc/34/65/55/977346555.db2.gz	HDEWQFHAGBDOEL-KBPBESRZSA-N	1	0	356.348	1.839	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)N(C)C	ZINC001110610433	977411757	/nfs/dbraw/zinc/41/17/57/977411757.db2.gz	CTJTUIAKWLWHDA-OAGGEKHMSA-N	1	0	357.520	1.346	20	30		FDEDRO
CN1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)C2)CC1	ZINC000868290887	977456327	/nfs/dbraw/zinc/45/63/27/977456327.db2.gz	VIQSPFXXNATVDP-RTBURBONSA-N	1	0	367.497	1.493	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](C[NH+]1CCN(CCC#N)CC1)O2	ZINC000851872636	979139656	/nfs/dbraw/zinc/13/96/56/979139656.db2.gz	MDMHCKBMAJBVKK-INIZCTEOSA-N	1	0	364.490	1.686	20	30		FDEDRO
C#C[C@H](NC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)C1CCOCC1	ZINC000851962658	979226342	/nfs/dbraw/zinc/22/63/42/979226342.db2.gz	ZHGQSWBJPAUUOU-SFHVURJKSA-N	1	0	371.485	1.061	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1	ZINC000968010880	1014564940	/nfs/dbraw/zinc/56/49/40/1014564940.db2.gz	VEFZUJATPNJPOJ-SQNIBIBYSA-N	1	0	363.502	1.367	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1	ZINC000852049737	979305840	/nfs/dbraw/zinc/30/58/40/979305840.db2.gz	FFUOWJMNQORVKU-QGZVFWFLSA-N	1	0	358.442	1.641	20	30		FDEDRO
CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCN(c2cnccc2C#N)CC1	ZINC000852076508	979330510	/nfs/dbraw/zinc/33/05/10/979330510.db2.gz	ISPXMNHMBRITQN-MRXNPFEDSA-N	1	0	368.374	1.660	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2nc(CC(=O)NCCC)cs2)CC1	ZINC000880903475	979520546	/nfs/dbraw/zinc/52/05/46/979520546.db2.gz	BQBZKJALWNJNIV-UHFFFAOYSA-N	1	0	365.503	1.984	20	30		FDEDRO
Cc1cc(F)c(C#N)cc1NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000880993578	979566546	/nfs/dbraw/zinc/56/65/46/979566546.db2.gz	GZNMUHLQLURIEP-UHFFFAOYSA-N	1	0	373.432	1.778	20	30		FDEDRO
C=CCC1(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CCOCC1	ZINC000881625065	980024411	/nfs/dbraw/zinc/02/44/11/980024411.db2.gz	IOTRRYBSYBPNCA-UHFFFAOYSA-N	1	0	363.502	1.692	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cccnc1F	ZINC000881790685	980147255	/nfs/dbraw/zinc/14/72/55/980147255.db2.gz	VZJLQXBRYSHCPY-UHFFFAOYSA-N	1	0	362.430	1.845	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000881869236	980235030	/nfs/dbraw/zinc/23/50/30/980235030.db2.gz	VRAOVTKOJBBYJN-HUUCEWRRSA-N	1	0	351.472	1.426	20	30		FDEDRO
CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1	ZINC000882492632	980676083	/nfs/dbraw/zinc/67/60/83/980676083.db2.gz	BIFWCJLGJZOFND-DZGCQCFKSA-N	1	0	360.845	1.775	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)Cc2cccc(C#N)c2)CCN1c1cc[nH+]cc1	ZINC000882620984	980760998	/nfs/dbraw/zinc/76/09/98/980760998.db2.gz	GCXOJDNPPYHKNB-HNNXBMFYSA-N	1	0	356.451	1.994	20	30		FDEDRO
CC[NH+]=C(NC[C@]1(C)CCCC[C@H]1O)N1CCN(c2ncccn2)CC1	ZINC000130003757	981648481	/nfs/dbraw/zinc/64/84/81/981648481.db2.gz	JFMARNAUBQXCCV-APWZRJJASA-N	1	0	360.506	1.505	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1	ZINC000883105351	981949146	/nfs/dbraw/zinc/94/91/46/981949146.db2.gz	HBFVUTLFQVLGBR-UHFFFAOYSA-N	1	0	359.470	1.687	20	30		FDEDRO
CC[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N1CC[C@H](CN2CCOCC2)C1	ZINC000131059206	981968879	/nfs/dbraw/zinc/96/88/79/981968879.db2.gz	JLSURDWTBAWUTD-HBFSDRIKSA-N	1	0	366.550	1.547	20	30		FDEDRO
C=CCC[C@H](CO)[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl	ZINC000883139021	981975049	/nfs/dbraw/zinc/97/50/49/981975049.db2.gz	YALCWTIRIYDOFQ-OLZOCXBDSA-N	1	0	361.895	1.621	20	30		FDEDRO
COc1ccc(CNC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)cc1C#N	ZINC000858308771	981978978	/nfs/dbraw/zinc/97/89/78/981978978.db2.gz	PEBMZIQSFUTRKK-UHFFFAOYSA-N	1	0	372.469	1.963	20	30		FDEDRO
C[C@@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1ccc(OCC#N)cc1	ZINC000858465701	982065284	/nfs/dbraw/zinc/06/52/84/982065284.db2.gz	LEXYHUPEMHRDSZ-UZLBHIALSA-N	1	0	359.470	1.855	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1C1CC1	ZINC000883610233	982307578	/nfs/dbraw/zinc/30/75/78/982307578.db2.gz	QLJXXSAVHZLKNX-NUEKZKHPSA-N	1	0	352.438	1.878	20	30		FDEDRO
CC[N@@H+]1CC[C@@H]1CNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N	ZINC000883614180	982311007	/nfs/dbraw/zinc/31/10/07/982311007.db2.gz	AWCCUOZRFLSONG-MJBXVCDLSA-N	1	0	351.451	1.139	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1	ZINC000859022001	982462990	/nfs/dbraw/zinc/46/29/90/982462990.db2.gz	IYPWUKGQBSWKEC-LJQANCHMSA-N	1	0	373.497	1.871	20	30		FDEDRO
COc1ccc(N2CC[NH+](C[C@H](O)CC3(C#N)CCOCC3)CC2)cc1	ZINC000859056230	982488942	/nfs/dbraw/zinc/48/89/42/982488942.db2.gz	ULUXJNROLAQDBK-GOSISDBHSA-N	1	0	359.470	1.889	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1	ZINC001006346172	982514442	/nfs/dbraw/zinc/51/44/42/982514442.db2.gz	SDRTVWSDNNOKND-OLMNPRSZSA-N	1	0	363.502	1.273	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1	ZINC001006347173	982516291	/nfs/dbraw/zinc/51/62/91/982516291.db2.gz	VUMUPFUZOIRNSJ-WBAXXEDZSA-N	1	0	363.502	1.273	20	30		FDEDRO
C#CCN(CCC1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1	ZINC000859188066	982607445	/nfs/dbraw/zinc/60/74/45/982607445.db2.gz	AUEHVNKWEXFZPW-HNNXBMFYSA-N	1	0	356.488	1.366	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1ccc2c(c1)CC(=O)N2C	ZINC000859231487	982633645	/nfs/dbraw/zinc/63/36/45/982633645.db2.gz	HDGIWDPRXPUBOP-PBHICJAKSA-N	1	0	357.454	1.927	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(C(=O)N3CCCC3)cc1)C2	ZINC000884066067	982809860	/nfs/dbraw/zinc/80/98/60/982809860.db2.gz	JZOQSECXKSDYLI-WBTXTPOCSA-N	1	0	366.465	1.678	20	30		FDEDRO
CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)o1	ZINC000958382823	1014883781	/nfs/dbraw/zinc/88/37/81/1014883781.db2.gz	RPRAXYXIAJTXBR-SQWLQELKSA-N	1	0	360.458	1.858	20	30		FDEDRO
CC(C)(CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccc2c(c1)OCCO2	ZINC000884112368	982885106	/nfs/dbraw/zinc/88/51/06/982885106.db2.gz	KETXVOMZUPUIRR-PKAMJGAUSA-N	1	0	369.465	1.991	20	30		FDEDRO
CCN1c2ccccc2C(=NNC(=S)NC[C@@H]2CCC[N@@H+]2CC)C1=O	ZINC000884128467	982910298	/nfs/dbraw/zinc/91/02/98/982910298.db2.gz	FGIHQZLUDHKFHW-ZDUSSCGKSA-N	1	0	359.499	1.706	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCCCNC(=O)c1ccc(F)cc1)C2	ZINC000884134569	982917309	/nfs/dbraw/zinc/91/73/09/982917309.db2.gz	LCAWTIUVZVSPHJ-HVEKOLDVSA-N	1	0	358.417	1.201	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCCN(c3ccccc3)C1=O)C2	ZINC000884139514	982922395	/nfs/dbraw/zinc/92/23/95/982922395.db2.gz	UPSZKARUWQEYLC-KLRDNXEFSA-N	1	0	352.438	1.438	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCCN(c3ccccc3)C1=O)C2	ZINC000884139513	982922422	/nfs/dbraw/zinc/92/24/22/982922422.db2.gz	UPSZKARUWQEYLC-GLEGPSONSA-N	1	0	352.438	1.438	20	30		FDEDRO
COc1ccccc1N1CC[C@@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1=O	ZINC000884165554	982941404	/nfs/dbraw/zinc/94/14/04/982941404.db2.gz	JSWJKJLMQVYECV-LNWMTBOKSA-N	1	0	368.437	1.056	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCN(c3cccc(Cl)c3)C1=O)C2	ZINC000884165227	982941595	/nfs/dbraw/zinc/94/15/95/982941595.db2.gz	CGRZZMRSHHEHNI-VASJYLSYSA-N	1	0	372.856	1.701	20	30		FDEDRO
C[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1cn(-c2ccccc2)nn1	ZINC000884174259	982947064	/nfs/dbraw/zinc/94/70/64/982947064.db2.gz	MOANJIZJZUYVIY-PPXVZNSRSA-N	1	0	350.426	1.584	20	30		FDEDRO
COc1cccc(N2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CC2)c1	ZINC000884177911	982950259	/nfs/dbraw/zinc/95/02/59/982950259.db2.gz	WJIPXOAFQJASAE-NGEICVOHSA-N	1	0	354.454	1.483	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1ccc(CN3CCOCC3)cc1)C2	ZINC000884179271	982951538	/nfs/dbraw/zinc/95/15/38/982951538.db2.gz	KDPRREDWFKKJID-OHTSDLOESA-N	1	0	354.454	1.597	20	30		FDEDRO
C[C@H]([NH3+])CN(C)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1	ZINC000859636097	982952309	/nfs/dbraw/zinc/95/23/09/982952309.db2.gz	WQVBHRXZVVPKMC-OGAOFSLMSA-N	1	0	367.475	1.310	20	30		FDEDRO
N#Cc1cc(NC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)ccc1F	ZINC000859645220	982956226	/nfs/dbraw/zinc/95/62/26/982956226.db2.gz	BNAHSXNPTAZJJK-CVEARBPZSA-N	1	0	373.388	1.486	20	30		FDEDRO
Cn1ccnc1[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1cccc(F)c1	ZINC000884182136	982957334	/nfs/dbraw/zinc/95/73/34/982957334.db2.gz	ZQXQICKGARBYRY-GLEGPSONSA-N	1	0	367.428	1.904	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1ccc(N3CCC(O)CC3)cc1)C2	ZINC000884186472	982962097	/nfs/dbraw/zinc/96/20/97/982962097.db2.gz	AWLWPHWGNUHMOV-CHWWFWEZSA-N	1	0	354.454	1.726	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1cccc(CN3CCOCC3)c1)C2	ZINC000884186594	982962889	/nfs/dbraw/zinc/96/28/89/982962889.db2.gz	DTTSWIFDDXTMGR-SCCNAQOGSA-N	1	0	368.481	1.274	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)OCC#CCN1C(=O)c2ccccc2C1=O	ZINC000859663441	982964606	/nfs/dbraw/zinc/96/46/06/982964606.db2.gz	OIWPNCHYPABIQN-GASCZTMLSA-N	1	0	354.406	1.702	20	30		FDEDRO
CSc1ccc(CNC(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1C#N	ZINC000884206348	982981618	/nfs/dbraw/zinc/98/16/18/982981618.db2.gz	SFKRMRNDKIQVLF-CQSZACIVSA-N	1	0	361.515	1.715	20	30		FDEDRO
CC(C)[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1nnc2ccccn21	ZINC000884208955	982985230	/nfs/dbraw/zinc/98/52/30/982985230.db2.gz	NRJWYYIFJWYGNF-RGUMBQAQSA-N	1	0	352.442	1.682	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH+]1CCC(Cc2nc(C3CCOCC3)no2)CC1	ZINC000859771230	983009641	/nfs/dbraw/zinc/00/96/41/983009641.db2.gz	NAADDBLPJHQGJG-CQSZACIVSA-N	1	0	360.458	1.356	20	30		FDEDRO
N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(OC(F)F)c(Br)c1	ZINC000884250591	983026667	/nfs/dbraw/zinc/02/66/67/983026667.db2.gz	JDAMBJOOIKFRRQ-SCZZXKLOSA-N	1	0	360.158	1.892	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1	ZINC000884268804	983041588	/nfs/dbraw/zinc/04/15/88/983041588.db2.gz	USSUXCCDIVNHRC-QYZOEREBSA-N	1	0	373.497	1.632	20	30		FDEDRO
COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884307889	983072069	/nfs/dbraw/zinc/07/20/69/983072069.db2.gz	XWFCOURTHOLZNP-ZEVUXNIQSA-N	1	0	353.422	1.252	20	30		FDEDRO
CCOC(=O)[C@@](C)(CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccccc1	ZINC000884333902	983093279	/nfs/dbraw/zinc/09/32/79/983093279.db2.gz	BKEIJFXRYILFJD-GPUHKUKCSA-N	1	0	369.465	1.763	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NCc2ccncc2OC[C@@H]2CCOC2)C1	ZINC000884352603	983109462	/nfs/dbraw/zinc/10/94/62/983109462.db2.gz	LJSTUAWXRXQNRA-AEFFLSMTSA-N	1	0	372.469	1.394	20	30		FDEDRO
COc1ccccc1[C@@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CCO1	ZINC000884472073	983174078	/nfs/dbraw/zinc/17/40/78/983174078.db2.gz	OWMPGBBBIYRYER-MEDXUSCSSA-N	1	0	355.438	1.734	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccc(C#N)cc1	ZINC000884541465	983232949	/nfs/dbraw/zinc/23/29/49/983232949.db2.gz	FKHUEBCHHHWGNA-BPNCWPANSA-N	1	0	368.359	1.331	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@@H+]([C@@H](C)COC)[C@@H]2CCc3ccccc32)CC1	ZINC000860113528	983241688	/nfs/dbraw/zinc/24/16/88/983241688.db2.gz	MIPZBANKAZRCDB-GHTZIAJQSA-N	1	0	369.509	1.788	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H](Nc2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)C1	ZINC000884612618	983276791	/nfs/dbraw/zinc/27/67/91/983276791.db2.gz	PZAPBECIHJVMSS-LBPRGKRZSA-N	1	0	361.389	1.862	20	30		FDEDRO
C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	ZINC000861542818	983771753	/nfs/dbraw/zinc/77/17/53/983771753.db2.gz	UGHWXGCIPWEWLB-ZDUSSCGKSA-N	1	0	371.441	1.014	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c(F)cc1C#N	ZINC000861774423	983913418	/nfs/dbraw/zinc/91/34/18/983913418.db2.gz	YUVGWQZQPVIFSS-CHWSQXEVSA-N	1	0	362.405	1.633	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CCC(CC)([NH+]3CCOCC3)CC2)c1	ZINC000862144342	984154181	/nfs/dbraw/zinc/15/41/81/984154181.db2.gz	YLHACGFKLRVPGD-UHFFFAOYSA-N	1	0	369.465	1.710	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N[C@H](C(=O)OCC)[C@@H](O)c1ccc(Cl)cc1	ZINC000862332502	984333659	/nfs/dbraw/zinc/33/36/59/984333659.db2.gz	JBESSZHCABCNQR-GJZGRUSLSA-N	1	0	354.834	1.539	20	30		FDEDRO
C#CC[C@H](COC)[NH2+]C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1	ZINC000862551067	984409972	/nfs/dbraw/zinc/40/99/72/984409972.db2.gz	QOWAKOMWEBIDJQ-HZPDHXFCSA-N	1	0	367.490	1.378	20	30		FDEDRO
CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1	ZINC000862551473	984410440	/nfs/dbraw/zinc/41/04/40/984410440.db2.gz	NDVADBSLIYUPSW-HOCLYGCPSA-N	1	0	351.472	1.739	20	30		FDEDRO
N#Cc1c[nH]c2cc(C(=O)N3CC[NH+]([C@H]4CCNC(=O)CC4)CC3)ccc12	ZINC000868785774	984603875	/nfs/dbraw/zinc/60/38/75/984603875.db2.gz	VTMYULFEQBHOTM-MRXNPFEDSA-N	1	0	365.437	1.466	20	30		FDEDRO
CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@]1(C#N)CCCOC1	ZINC000868873637	984655805	/nfs/dbraw/zinc/65/58/05/984655805.db2.gz	QASBXZMUEXLECA-SFHLNBCPSA-N	1	0	371.481	1.960	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](c3ncc(C(=O)OC)s3)C2)CC1	ZINC000884763502	984766719	/nfs/dbraw/zinc/76/67/19/984766719.db2.gz	AWYADLHDQZQUKH-AWEZNQCLSA-N	1	0	361.467	1.591	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H](C[C@@H]2COCCO2)C(F)(F)F)CC1	ZINC000828472697	984770832	/nfs/dbraw/zinc/77/08/32/984770832.db2.gz	LNYVGAOELMMYBD-HUUCEWRRSA-N	1	0	362.392	1.574	20	30		FDEDRO
C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1Cc2ccc(C#N)cc2C1	ZINC000869190277	984933865	/nfs/dbraw/zinc/93/38/65/984933865.db2.gz	HOGRDTNVSAMQIV-KSSFIOAISA-N	1	0	356.470	1.512	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2ccc(CCC#N)cc2)C[C@H]1[NH+](C)C	ZINC000885078455	985160241	/nfs/dbraw/zinc/16/02/41/985160241.db2.gz	IGJIDPFWIZEMCV-HZPDHXFCSA-N	1	0	353.513	1.809	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1	ZINC000885097212	985173782	/nfs/dbraw/zinc/17/37/82/985173782.db2.gz	ULZOADMNFSBEET-GVDBMIGSSA-N	1	0	365.518	1.840	20	30		FDEDRO
N#C[C@@]12CN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)C[C@@H]1CS(=O)(=O)C2	ZINC000885315226	985328083	/nfs/dbraw/zinc/32/80/83/985328083.db2.gz	QNSSGTITXHCRJQ-MJGOQNOKSA-N	1	0	373.478	1.293	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)N2CCN(c3ccc(C#N)cc3)CC2)CC1	ZINC000870096733	985657457	/nfs/dbraw/zinc/65/74/57/985657457.db2.gz	SOFURMWOEWDHPL-UHFFFAOYSA-N	1	0	355.486	1.234	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H](O)CC2(C#N)CCC2)CCN1c1nccn2cnnc12	ZINC000886076372	985862461	/nfs/dbraw/zinc/86/24/61/985862461.db2.gz	NITANXSKIIGOHX-HUUCEWRRSA-N	1	0	355.446	1.080	20	30		FDEDRO
C[C@H]1C[N@H+](C[C@H](O)CC2(C#N)CCC2)CCN1c1nccn2cnnc12	ZINC000886076374	985863143	/nfs/dbraw/zinc/86/31/43/985863143.db2.gz	NITANXSKIIGOHX-LSDHHAIUSA-N	1	0	355.446	1.080	20	30		FDEDRO
C#CC[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2CN2CCCC2=O)C1	ZINC000886354995	986093961	/nfs/dbraw/zinc/09/39/61/986093961.db2.gz	ALYHKFAXHYHQMX-KRWDZBQOSA-N	1	0	353.466	1.770	20	30		FDEDRO
C#CC[C@H]1CC[N@@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)C1	ZINC000886360633	986098374	/nfs/dbraw/zinc/09/83/74/986098374.db2.gz	YYPWAGMHENXDMY-AWEZNQCLSA-N	1	0	357.410	1.841	20	30		FDEDRO
C#CC[C@@H]1CC[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000886364285	986102755	/nfs/dbraw/zinc/10/27/55/986102755.db2.gz	VKJIYEQMOAWREN-XLIONFOSSA-N	1	0	368.456	1.880	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](C(=O)OC)C[C@@H]2[C@@H]2CCCO2)CC1	ZINC000886387370	986136918	/nfs/dbraw/zinc/13/69/18/986136918.db2.gz	BBPSUJWNEZBGLH-KSZLIROESA-N	1	0	362.470	1.291	20	30		FDEDRO
C#CCN(C(=O)/C=C/c1ccc(S(C)(=O)=O)o1)C1CC[NH+](C)CC1	ZINC000886573853	986374037	/nfs/dbraw/zinc/37/40/37/986374037.db2.gz	ZAVMYTHZSZTZMU-FNORWQNLSA-N	1	0	350.440	1.252	20	30		FDEDRO
C#CCN(C(=O)Cc1cccc(S(=O)(=O)CC)c1)C1CC[NH+](C)CC1	ZINC000886578685	986380078	/nfs/dbraw/zinc/38/00/78/986380078.db2.gz	HPBBXTIMLRSPRX-UHFFFAOYSA-N	1	0	362.495	1.579	20	30		FDEDRO
C#CCN(C(=O)[C@H](C)NC(=O)c1[nH]nc2ccccc21)C1CC[NH+](C)CC1	ZINC000886582520	986385560	/nfs/dbraw/zinc/38/55/60/986385560.db2.gz	YEINPKRNSGNUNO-AWEZNQCLSA-N	1	0	367.453	1.237	20	30		FDEDRO
C#CCN(C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)C1CC[NH+](C)CC1	ZINC000886585378	986391711	/nfs/dbraw/zinc/39/17/11/986391711.db2.gz	UCKQHZGXIVXNLE-LJQANCHMSA-N	1	0	369.465	1.974	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CN(C(C)=O)c2ccccc2O1)C1CC[NH+](C)CC1	ZINC000886587310	986392780	/nfs/dbraw/zinc/39/27/80/986392780.db2.gz	RKRUWFXOINYXFV-IBGZPJMESA-N	1	0	355.438	1.357	20	30		FDEDRO
C#CCN(C(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)C1CC[NH+](C)CC1	ZINC000886589199	986396724	/nfs/dbraw/zinc/39/67/24/986396724.db2.gz	MSEUIVDDUKCVJK-CALCHBBNSA-N	1	0	359.470	1.108	20	30		FDEDRO
C#CCN1CCC[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)C1	ZINC000886662263	986465445	/nfs/dbraw/zinc/46/54/45/986465445.db2.gz	AGICRFFUGSLDQL-VSZNYVQBSA-N	1	0	365.518	1.992	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N[C@@](C)(CO)Cc1ccc(Br)cc1	ZINC000870948727	986537359	/nfs/dbraw/zinc/53/73/59/986537359.db2.gz	ZBOOJLWHAGGTPV-MRXNPFEDSA-N	1	0	355.276	1.977	20	30		FDEDRO
C=CCC1(O)CC[NH+]([C@@H](C)C(=O)NCCc2ccc3c(c2)OCCO3)CC1	ZINC000886772326	986576156	/nfs/dbraw/zinc/57/61/56/986576156.db2.gz	WZYKTLUGZBSKIE-INIZCTEOSA-N	1	0	374.481	1.908	20	30		FDEDRO
C=CCn1c([C@@H]2CCO[C@@H]2C)nnc1N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000871051109	986617755	/nfs/dbraw/zinc/61/77/55/986617755.db2.gz	PFGVYZSHTDRDSV-SJLPKXTDSA-N	1	0	374.533	1.573	20	30		FDEDRO
C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1	ZINC000871099861	986668834	/nfs/dbraw/zinc/66/88/34/986668834.db2.gz	HFYXHFIPFDMTEN-LSDHHAIUSA-N	1	0	356.478	1.489	20	30		FDEDRO
N#CCCc1ccc(S(=O)(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1	ZINC000886889343	986693117	/nfs/dbraw/zinc/69/31/17/986693117.db2.gz	QOHJPYRLRWVOEH-JSGCOSHPSA-N	1	0	361.389	1.900	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC2CCN(CC(=O)OC(C)(C)C)CC2)CC1	ZINC000871542108	987111994	/nfs/dbraw/zinc/11/19/94/987111994.db2.gz	XTKRJWVJZCEBEU-UHFFFAOYSA-N	1	0	363.502	1.254	20	30		FDEDRO
N#Cc1cccc(Cn2cnc3c(cnn3C3CC[NH2+]CC3)c2=O)c1F	ZINC000871677321	987191858	/nfs/dbraw/zinc/19/18/58/987191858.db2.gz	GCPVDAWUFKHYJX-UHFFFAOYSA-N	1	0	352.373	1.577	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=NOCCCS(=O)(=O)C(C)(C)C)cc1	ZINC000871734226	987211507	/nfs/dbraw/zinc/21/15/07/987211507.db2.gz	BSIYPGMXQSFXAD-UHFFFAOYSA-N	1	0	355.504	1.989	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)cc1Br	ZINC000871820459	987275836	/nfs/dbraw/zinc/27/58/36/987275836.db2.gz	PHLDBWIZJXKPSS-ZIAGYGMSSA-N	1	0	370.272	1.884	20	30		FDEDRO
C#CCC[NH+]1CCC(NS(=O)(=O)c2cnn(C3CCCC3)c2)CC1	ZINC000872006840	987438600	/nfs/dbraw/zinc/43/86/00/987438600.db2.gz	XWSVSKQYRVVHCG-UHFFFAOYSA-N	1	0	350.488	1.764	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1	ZINC000888596780	987519856	/nfs/dbraw/zinc/51/98/56/987519856.db2.gz	DKPRASFFTHHUIM-IAGOWNOFSA-N	1	0	351.491	1.477	20	30		FDEDRO
C#CCC1(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCOCC1	ZINC000888596932	987522434	/nfs/dbraw/zinc/52/24/34/987522434.db2.gz	GGXRSTRWJIRQCM-QZTJIDSGSA-N	1	0	363.502	1.626	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]Cc1nc(C(F)(F)F)n2c1CCCC2	ZINC000872235133	987533981	/nfs/dbraw/zinc/53/39/81/987533981.db2.gz	CPLUQGLURKMGPH-GFCCVEGCSA-N	1	0	359.396	1.534	20	30		FDEDRO
CC#CCC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1	ZINC000872296373	987580745	/nfs/dbraw/zinc/58/07/45/987580745.db2.gz	YEYCLYILWKUDPL-OAGGEKHMSA-N	1	0	363.458	1.914	20	30		FDEDRO
O=S1(=O)NC(=NN=C2CCC[N@@H+]3CCSC[C@@H]23)c2ccccc21	ZINC000872341942	987612870	/nfs/dbraw/zinc/61/28/70/987612870.db2.gz	DKWXIIAPODQRDT-ZDUSSCGKSA-N	1	0	350.469	1.292	20	30		FDEDRO
C[NH+](C)CCCNC(=S)NN=Cc1ccc(C(=O)N2CCCC2)cc1	ZINC000872350591	987614866	/nfs/dbraw/zinc/61/48/66/987614866.db2.gz	SNYZPHKDHCZLAQ-UHFFFAOYSA-N	1	0	361.515	1.672	20	30		FDEDRO
C(=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)c1ccc(OCCN2CCOCC2)cc1	ZINC000872359561	987618949	/nfs/dbraw/zinc/61/89/49/987618949.db2.gz	IYLMFFBDDMEECQ-OALUTQOASA-N	1	0	371.485	1.592	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C1(Cc2cccc(F)c2)CCOCC1	ZINC000292944232	987939437	/nfs/dbraw/zinc/93/94/37/987939437.db2.gz	IBJAIMHCWJFFQZ-AWEZNQCLSA-N	1	0	363.433	1.907	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000365679180	987968238	/nfs/dbraw/zinc/96/82/38/987968238.db2.gz	LGLFSCJPQSPVLQ-DLBZAZTESA-N	1	0	361.417	1.901	20	30		FDEDRO
COC(=O)C1CC[NH+](CCCNC(=O)/C=C/c2ccc(C#N)cc2)CC1	ZINC000298959602	987982332	/nfs/dbraw/zinc/98/23/32/987982332.db2.gz	GOEXWHDYHPTZAU-BQYQJAHWSA-N	1	0	355.438	1.963	20	30		FDEDRO
C=CCN(CCC#N)C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1	ZINC000293254037	988007509	/nfs/dbraw/zinc/00/75/09/988007509.db2.gz	UYYDIDOXCGCTAV-UHFFFAOYSA-N	1	0	369.469	1.301	20	30		FDEDRO
N#Cc1ccccc1CN1C(=O)CN(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)C1=O	ZINC000872723095	988007985	/nfs/dbraw/zinc/00/79/85/988007985.db2.gz	XYFFGTPCYAJMLY-SJORKVTESA-N	1	0	370.478	1.965	20	30		FDEDRO
CN1CC[NH+](C2CCN(Cn3cc4c(c(C#N)c3=O)CCCC4)CC2)CC1	ZINC000872731448	988016235	/nfs/dbraw/zinc/01/62/35/988016235.db2.gz	GETDSWKGOXNEDV-UHFFFAOYSA-N	1	0	369.513	1.268	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(OC)ccc1OC(C)C	ZINC000293504937	988092684	/nfs/dbraw/zinc/09/26/84/988092684.db2.gz	XOAANIMXZCBOSZ-UHFFFAOYSA-N	1	0	361.442	1.492	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N1CCC(C)([NH+]2CCCCC2)CC1	ZINC000872910694	988273851	/nfs/dbraw/zinc/27/38/51/988273851.db2.gz	CKLHYMRQJUEIBW-UHFFFAOYSA-N	1	0	351.491	1.514	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC000872927758	988295202	/nfs/dbraw/zinc/29/52/02/988295202.db2.gz	ZLOJHZJKPPTDTG-IAGOWNOFSA-N	1	0	370.501	1.905	20	30		FDEDRO
C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1	ZINC000872947484	988323530	/nfs/dbraw/zinc/32/35/30/988323530.db2.gz	NADHRKXCIVXUBY-NVXWUHKLSA-N	1	0	356.474	1.658	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N(C)C[C@H]1CN(c2ccccc2)C(=O)O1	ZINC000873024492	988431024	/nfs/dbraw/zinc/43/10/24/988431024.db2.gz	SKBQXRNRIPSPBJ-KRWDZBQOSA-N	1	0	358.442	1.608	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1	ZINC000294525250	988448917	/nfs/dbraw/zinc/44/89/17/988448917.db2.gz	QPVLOPKNSDKHID-IBGZPJMESA-N	1	0	357.498	1.739	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)c1nnn(-c2ccn(C)n2)c1C)C(C)C	ZINC000294746180	988533654	/nfs/dbraw/zinc/53/36/54/988533654.db2.gz	LQICQSWAUHGJQB-MRXNPFEDSA-N	1	0	371.489	1.738	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+][C@@H]3CCN(c4ccccc4C(N)=O)C3)n2c1	ZINC000362025205	988563551	/nfs/dbraw/zinc/56/35/51/988563551.db2.gz	SHPPXQZYVDIQHY-OAHLLOKOSA-N	1	0	360.421	1.673	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1	ZINC000873106719	988565198	/nfs/dbraw/zinc/56/51/98/988565198.db2.gz	KHYXUMKGHIMHQH-NEPJUHHUSA-N	1	0	369.343	1.233	20	30		FDEDRO
CC1(C)NC(=O)N(CCCN2CCO[C@@H](c3cccc(C#N)c3)C2)C1=O	ZINC000362070930	988573826	/nfs/dbraw/zinc/57/38/26/988573826.db2.gz	YULKNNCIFXAMHK-MRXNPFEDSA-N	1	0	356.426	1.652	20	30		FDEDRO
CC[N@@H+]1CCc2c(cccc2NC(=O)CCNC(=O)C2N=CC=CC2=O)C1	ZINC000366337480	988630271	/nfs/dbraw/zinc/63/02/71/988630271.db2.gz	DNVDJPWLUGUUTD-VXPUYCOJSA-N	1	0	368.437	1.920	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)ccc1[N+](=O)[O-]	ZINC000299682132	988679896	/nfs/dbraw/zinc/67/98/96/988679896.db2.gz	NCXFIORFCQEYFF-UHFFFAOYSA-N	1	0	361.402	1.536	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1	ZINC000366704439	988751918	/nfs/dbraw/zinc/75/19/18/988751918.db2.gz	RBJCAOCIBGADDR-AOIWGVFYSA-N	1	0	364.534	1.778	20	30		FDEDRO
N#CC1(CCC[N@H+]2CCCN(c3ncccc3C(N)=O)CC2)CCOCC1	ZINC000366856969	988819080	/nfs/dbraw/zinc/81/90/80/988819080.db2.gz	ZMZOSVZYMOEYEF-UHFFFAOYSA-N	1	0	371.485	1.793	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)OCC[NH+]2CCCCC2)s1	ZINC000873495019	988822066	/nfs/dbraw/zinc/82/20/66/988822066.db2.gz	XMPGHZQCADVCMN-UHFFFAOYSA-N	1	0	372.512	1.784	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)c(OC)c1	ZINC000367452013	988952327	/nfs/dbraw/zinc/95/23/27/988952327.db2.gz	SQSIVDRIASFGNU-CBGDNZLLSA-N	1	0	374.481	1.810	20	30		FDEDRO
CCN(C(=O)NCC(=O)NCC#N)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1	ZINC000367576424	988955978	/nfs/dbraw/zinc/95/59/78/988955978.db2.gz	PHUUVXKRYFELLP-DOTOQJQBSA-N	1	0	357.458	1.493	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)C(C)(C)CN2CCn3ccnc3C2)CC1	ZINC000368310886	988988536	/nfs/dbraw/zinc/98/85/36/988988536.db2.gz	TZAPFZWKORTDNZ-UHFFFAOYSA-N	1	0	357.502	1.329	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000368613495	988999770	/nfs/dbraw/zinc/99/97/70/988999770.db2.gz	JWAWMTWRCPNFDW-HZPDHXFCSA-N	1	0	366.506	1.304	20	30		FDEDRO
CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CC(=O)N(CCC#N)CCC#N	ZINC000368668546	989004133	/nfs/dbraw/zinc/00/41/33/989004133.db2.gz	LWXLZNSSOAMHJH-DLBZAZTESA-N	1	0	359.474	1.508	20	30		FDEDRO
C=CCN(Cc1cc(=O)n(C)c(=O)n1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000369144426	989030325	/nfs/dbraw/zinc/03/03/25/989030325.db2.gz	PLDMQUVRJORKOG-GOSISDBHSA-N	1	0	368.481	1.347	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCCCC2)C1	ZINC000369384490	989049552	/nfs/dbraw/zinc/04/95/52/989049552.db2.gz	DFXHQJOQEPLDGK-QGZVFWFLSA-N	1	0	359.474	1.367	20	30		FDEDRO
C=C(Cl)CNC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(F)c1	ZINC000873719305	989057003	/nfs/dbraw/zinc/05/70/03/989057003.db2.gz	QVVLAFUKHQLENM-UHFFFAOYSA-N	1	0	368.840	1.775	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)cc1	ZINC000363282129	989059464	/nfs/dbraw/zinc/05/94/64/989059464.db2.gz	HMAPXMGMHJBYOW-HKUYNNGSSA-N	1	0	372.469	1.737	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@]3(CCCCO3)C2)CC1	ZINC000369671656	989081330	/nfs/dbraw/zinc/08/13/30/989081330.db2.gz	VCZQTWUCPJGBGF-AZUAARDMSA-N	1	0	362.518	1.714	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)SCC(=O)N3)CC1	ZINC000873734127	989087168	/nfs/dbraw/zinc/08/71/68/989087168.db2.gz	GWYPUMPJNBFYQW-UHFFFAOYSA-N	1	0	374.466	1.436	20	30		FDEDRO
C[NH+]1CCN(C[C@@H]2CN(C(=O)c3cccc(SCC#N)c3)CCO2)CC1	ZINC000363321229	989089770	/nfs/dbraw/zinc/08/97/70/989089770.db2.gz	OKDZGGODKUMHLC-QGZVFWFLSA-N	1	0	374.510	1.391	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1=O	ZINC000369757474	989148642	/nfs/dbraw/zinc/14/86/42/989148642.db2.gz	ZBBWXFNQJORMJZ-OKZBNKHCSA-N	1	0	356.470	1.860	20	30		FDEDRO
Cn1cc([C@@H]2[C@@H](CNC(=O)Nc3ccn(CCC#N)n3)CCC[N@@H+]2C)cn1	ZINC000363422697	989184989	/nfs/dbraw/zinc/18/49/89/989184989.db2.gz	IQLNBVDVONMAHS-PBHICJAKSA-N	1	0	370.461	1.735	20	30		FDEDRO
N#Cc1ccc(-c2nnc(CN3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)o2)cc1	ZINC000369825200	989218175	/nfs/dbraw/zinc/21/81/75/989218175.db2.gz	GXQUDOBRXLNJMZ-IRXDYDNUSA-N	1	0	353.426	1.639	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1	ZINC000363540028	989280598	/nfs/dbraw/zinc/28/05/98/989280598.db2.gz	RLTSDXGWPWVIRZ-QZTJIDSGSA-N	1	0	372.469	1.665	20	30		FDEDRO
C#C[C@H](CC)NC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(F)c1	ZINC000873848118	989320140	/nfs/dbraw/zinc/32/01/40/989320140.db2.gz	GJGUSFSURHGXLA-CQSZACIVSA-N	1	0	360.433	1.434	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCC(=O)NCc1cccc(C#N)c1	ZINC000363706414	989400778	/nfs/dbraw/zinc/40/07/78/989400778.db2.gz	NEIGDAAHXOYMOY-LSTHTHJFSA-N	1	0	370.497	1.653	20	30		FDEDRO
COc1cccc(COC[C@@H](O)C[NH+]2CCC(n3cnc(C#N)n3)CC2)c1	ZINC000370124348	989470291	/nfs/dbraw/zinc/47/02/91/989470291.db2.gz	WDAXRZQSNIDSJB-KRWDZBQOSA-N	1	0	371.441	1.373	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCc1ccccc1C[NH+]1CCC[C@H]1CO	ZINC000297160549	989486599	/nfs/dbraw/zinc/48/65/99/989486599.db2.gz	DPUWFCICEMZJOZ-FQEVSTJZSA-N	1	0	372.513	1.398	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1	ZINC000297380283	989523364	/nfs/dbraw/zinc/52/33/64/989523364.db2.gz	ALOYCRKGWMZLMT-UHFFFAOYSA-N	1	0	362.518	1.204	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000297537934	989559303	/nfs/dbraw/zinc/55/93/03/989559303.db2.gz	OOCDWKRLMGDBEA-KDURUIRLSA-N	1	0	353.466	1.777	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)cnc2OC(C)C)CC1	ZINC000297573708	989567735	/nfs/dbraw/zinc/56/77/35/989567735.db2.gz	YPJNFCVTQQNYBC-UHFFFAOYSA-N	1	0	360.458	1.882	20	30		FDEDRO
N#Cc1c(N)n(-c2ccc(F)cc2)nc1CCCNC(=O)C[NH+]1CCCC1	ZINC000873985847	989577410	/nfs/dbraw/zinc/57/74/10/989577410.db2.gz	CVRNQUDOCATITK-UHFFFAOYSA-N	1	0	370.432	1.610	20	30		FDEDRO
C[NH+]1CCC2(CCN(C(=O)C(=O)Nc3cccc(OCC#N)c3)CC2)CC1	ZINC000874013918	989640856	/nfs/dbraw/zinc/64/08/56/989640856.db2.gz	ZLVRUGSNTXGNQM-UHFFFAOYSA-N	1	0	370.453	1.862	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@]1(C#N)CCc2ccccc2C1	ZINC000370373207	989696611	/nfs/dbraw/zinc/69/66/11/989696611.db2.gz	BVLIUHFYIGUYNQ-DYESRHJHSA-N	1	0	354.498	1.827	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@]2(CNC(=O)O2)C1)C(C)C	ZINC000364869314	989854783	/nfs/dbraw/zinc/85/47/83/989854783.db2.gz	SBQOSLBYPGXYOZ-LPHOPBHVSA-N	1	0	364.490	1.969	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1	ZINC000874175302	989883176	/nfs/dbraw/zinc/88/31/76/989883176.db2.gz	VRGKBDMHMDSNFK-CZUORRHYSA-N	1	0	359.401	1.329	20	30		FDEDRO
C[C@H]1CN(Cc2cnc3ccc(C#N)cn23)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000370705750	989941509	/nfs/dbraw/zinc/94/15/09/989941509.db2.gz	IVCBBPGXHYNJNK-LPHOPBHVSA-N	1	0	352.486	1.664	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC([NH2+]C3CCCC3)CC2)n1	ZINC000370714888	989946199	/nfs/dbraw/zinc/94/61/99/989946199.db2.gz	DJVGAHTZYWRRTJ-UHFFFAOYSA-N	1	0	372.473	1.797	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1	ZINC000370761211	989973547	/nfs/dbraw/zinc/97/35/47/989973547.db2.gz	VOXOFBPYGWOROI-IAGOWNOFSA-N	1	0	373.453	1.563	20	30		FDEDRO
CON=C(C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1)c1csc(N)n1	ZINC000874249842	989984713	/nfs/dbraw/zinc/98/47/13/989984713.db2.gz	VUKLEIQHLHOGKG-UPJWGTAASA-N	1	0	365.503	1.940	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C	ZINC000298449378	990116079	/nfs/dbraw/zinc/11/60/79/990116079.db2.gz	VPANJVSSAKNUCX-UHFFFAOYSA-N	1	0	374.529	1.543	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C	ZINC000874363937	990173592	/nfs/dbraw/zinc/17/35/92/990173592.db2.gz	BNWJQFZWPNQOKB-HZPDHXFCSA-N	1	0	359.401	1.471	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C	ZINC000874364676	990178658	/nfs/dbraw/zinc/17/86/58/990178658.db2.gz	NDSIWGPDDOFULJ-SJORKVTESA-N	1	0	370.453	1.979	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C	ZINC000874365730	990184362	/nfs/dbraw/zinc/18/43/62/990184362.db2.gz	DEISHZQUNKAURR-HZPDHXFCSA-N	1	0	359.401	1.471	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000874368031	990194775	/nfs/dbraw/zinc/19/47/75/990194775.db2.gz	NBHVUJRIWRLBJF-ZIAGYGMSSA-N	1	0	358.446	1.143	20	30		FDEDRO
CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N(C)Cc1cccc(C#N)c1	ZINC000298627498	990205122	/nfs/dbraw/zinc/20/51/22/990205122.db2.gz	MKCKBNLUDCYYCZ-UHFFFAOYSA-N	1	0	356.470	1.851	20	30		FDEDRO
CN1CCC([NH+]2CCC(CCNC(=O)N3CCO[C@H](C#N)C3)CC2)CC1	ZINC000371093182	990242823	/nfs/dbraw/zinc/24/28/23/990242823.db2.gz	JGRQVUQITODOER-GOSISDBHSA-N	1	0	363.506	1.117	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000371119074	990262275	/nfs/dbraw/zinc/26/22/75/990262275.db2.gz	RLWRMKWETHRYMB-FOIQADDNSA-N	1	0	369.469	1.773	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1	ZINC000371230114	990315638	/nfs/dbraw/zinc/31/56/38/990315638.db2.gz	OWYCTVOIJZJKEK-IEBWSBKVSA-N	1	0	366.465	1.650	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1nc(C)nc1C	ZINC001095432978	990341073	/nfs/dbraw/zinc/34/10/73/990341073.db2.gz	QYILBRIRUQQFKT-GFEQUFNTSA-N	1	0	373.501	1.598	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@@H]4[C@H]3CCC[N@H+]4C)CC2)o1	ZINC000874829351	990554646	/nfs/dbraw/zinc/55/46/46/990554646.db2.gz	KJOJXKLNIGBAEQ-IAGOWNOFSA-N	1	0	357.458	1.766	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](C)C	ZINC000874993622	990694396	/nfs/dbraw/zinc/69/43/96/990694396.db2.gz	FWPFUJNHKKRWOO-ROUUACIJSA-N	1	0	359.470	1.122	20	30		FDEDRO
CCCCCCCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000875040302	990777841	/nfs/dbraw/zinc/77/78/41/990777841.db2.gz	KNBHRMMVLMPRGV-KRWDZBQOSA-N	1	0	353.507	1.833	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1	ZINC000372106177	990923878	/nfs/dbraw/zinc/92/38/78/990923878.db2.gz	WFEZAZVTYRAREG-AEFFLSMTSA-N	1	0	370.453	1.422	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1	ZINC000372106179	990925127	/nfs/dbraw/zinc/92/51/27/990925127.db2.gz	WFEZAZVTYRAREG-SJLPKXTDSA-N	1	0	370.453	1.422	20	30		FDEDRO
C[C@H](CNC(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O)[N@H+](C)C1CC1	ZINC000372210374	990963164	/nfs/dbraw/zinc/96/31/64/990963164.db2.gz	PKGFGINYTSFXIX-CKNLXJGOSA-N	1	0	367.453	1.524	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)C1	ZINC000372217040	990965526	/nfs/dbraw/zinc/96/55/26/990965526.db2.gz	KOMMXCSEWCZWDE-AVYPCKFXSA-N	1	0	367.453	1.526	20	30		FDEDRO
Cc1cc(NC(=O)CCN2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)no1	ZINC000372228660	990972825	/nfs/dbraw/zinc/97/28/25/990972825.db2.gz	ORISRJBNWZCECD-YJYMSZOUSA-N	1	0	365.393	1.657	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(Cc2ccccc2)[C@H](CC)CO)CC1	ZINC000875182573	991022239	/nfs/dbraw/zinc/02/22/39/991022239.db2.gz	SBJQCMSKUUMJCO-LJQANCHMSA-N	1	0	373.497	1.553	20	30		FDEDRO
C#CCNC(=O)c1ccccc1NC(=O)c1ccnc(OCC[NH+](C)C)c1	ZINC000875185820	991027821	/nfs/dbraw/zinc/02/78/21/991027821.db2.gz	ODRKARYHVGJVPD-UHFFFAOYSA-N	1	0	366.421	1.637	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1	ZINC000410440800	991375886	/nfs/dbraw/zinc/37/58/86/991375886.db2.gz	XNAMIISIZRQWJM-ROUUACIJSA-N	1	0	364.534	1.428	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@H]2CCO[C@@H]2C2CC2)CC1	ZINC000372809545	991551655	/nfs/dbraw/zinc/55/16/55/991551655.db2.gz	YXIBYIZGCUDYQL-FRQCXROJSA-N	1	0	374.510	1.614	20	30		FDEDRO
C[NH+]1CCC2(CCCN(C(=O)C(=O)Nc3ccc(F)c(C#N)c3)C2)CC1	ZINC000373004121	991768834	/nfs/dbraw/zinc/76/88/34/991768834.db2.gz	XKUHLAZVZYOZMU-UHFFFAOYSA-N	1	0	358.417	1.970	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC(C)([NH+]2CCCCC2)CC1	ZINC000875593215	991778287	/nfs/dbraw/zinc/77/82/87/991778287.db2.gz	DMSJECDBMPPBDI-QGZVFWFLSA-N	1	0	363.502	1.398	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1	ZINC000875605393	991794958	/nfs/dbraw/zinc/79/49/58/991794958.db2.gz	GXYHGGZSIUDYGS-RCCFBDPRSA-N	1	0	363.502	1.254	20	30		FDEDRO
Cc1ccn(CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(=O)c1	ZINC000373164928	991970942	/nfs/dbraw/zinc/97/09/42/991970942.db2.gz	PRQUUKZVKYGYEN-UHFFFAOYSA-N	1	0	364.449	1.831	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CN(C4CC4)CCO3)CC2)cc1	ZINC000373179031	991980646	/nfs/dbraw/zinc/98/06/46/991980646.db2.gz	NQOQJPPEFNSNJX-NRFANRHFSA-N	1	0	354.498	1.975	20	30		FDEDRO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CC[C@](O)(C3CC3)C2)CC1	ZINC000373277770	992096153	/nfs/dbraw/zinc/09/61/53/992096153.db2.gz	IIMKXFWCHZBVJF-QFBILLFUSA-N	1	0	374.510	1.304	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN2C(=O)N(C)C[C@@H]2C1)C(C)C	ZINC000373291608	992125434	/nfs/dbraw/zinc/12/54/34/992125434.db2.gz	FPVRAIZJECEXEC-SJORKVTESA-N	1	0	363.506	1.446	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000875925085	992197947	/nfs/dbraw/zinc/19/79/47/992197947.db2.gz	ZZALQPOTFGKVDB-IPMKNSEASA-N	1	0	359.470	1.207	20	30		FDEDRO
COC(=O)[C@]12C[N@H+](CC(=O)N(C)C3(C#N)CCCCC3)C[C@H]1COCC2	ZINC000373795693	992445498	/nfs/dbraw/zinc/44/54/98/992445498.db2.gz	FRJOVFLNKHXWLF-HNAYVOBHSA-N	1	0	363.458	1.183	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1	ZINC000964927357	1015721241	/nfs/dbraw/zinc/72/12/41/1015721241.db2.gz	TZPBKHRLTJJCLP-KSZLIROESA-N	1	0	363.502	1.561	20	30		FDEDRO
C#C[C@H](NC(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C)C(C)C	ZINC000374158668	992656322	/nfs/dbraw/zinc/65/63/22/992656322.db2.gz	DEFNAXGSHRTEBL-KRWDZBQOSA-N	1	0	351.454	1.951	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccccc2OC)CC1	ZINC000876580380	992716899	/nfs/dbraw/zinc/71/68/99/992716899.db2.gz	KQSLUOYQHMRLSP-AWEZNQCLSA-N	1	0	351.834	1.450	20	30		FDEDRO
CCCCNC(=O)C1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876594046	992727455	/nfs/dbraw/zinc/72/74/55/992727455.db2.gz	KODBGZPCJOJVKV-LJQANCHMSA-N	1	0	368.481	1.900	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1	ZINC000876621047	992747966	/nfs/dbraw/zinc/74/79/66/992747966.db2.gz	UAZGVCJZDDHSLG-HUUCEWRRSA-N	1	0	351.834	1.890	20	30		FDEDRO
COc1cccc([C@@H](O)CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)c1	ZINC000876637407	992761556	/nfs/dbraw/zinc/76/15/56/992761556.db2.gz	NGLXHTRAQGNPPO-OALUTQOASA-N	1	0	351.406	1.603	20	30		FDEDRO
C[C@@](C#N)(NC(=O)C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1)C1CC1	ZINC000412006526	992761635	/nfs/dbraw/zinc/76/16/35/992761635.db2.gz	HLYYURJKMYEOSU-PMACEKPBSA-N	1	0	371.481	1.915	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000876643040	992765368	/nfs/dbraw/zinc/76/53/68/992765368.db2.gz	RVMGFOZHWPSBQY-FZMZJTMJSA-N	1	0	359.879	1.584	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)CC[N@@H+]1C	ZINC000964936035	1015732450	/nfs/dbraw/zinc/73/24/50/1015732450.db2.gz	RILITSCIILYANH-UKPHBRMFSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCC(=O)N[C@H]2CCOc3ccccc32)CC1	ZINC000374415322	992830337	/nfs/dbraw/zinc/83/03/37/992830337.db2.gz	MGRSSALPWLSOTL-KRWDZBQOSA-N	1	0	372.469	1.576	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C	ZINC000374535992	992882071	/nfs/dbraw/zinc/88/20/71/992882071.db2.gz	IWABLOYYFRHRGC-QGZVFWFLSA-N	1	0	358.486	1.889	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC(c3nc(N(C)C)no3)CC2)CC1	ZINC000374655450	992917116	/nfs/dbraw/zinc/91/71/16/992917116.db2.gz	NSRRTFYYOPPLML-UHFFFAOYSA-N	1	0	362.478	1.675	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[NH2+]C[C@H]2CCC)s1	ZINC000876797718	992917486	/nfs/dbraw/zinc/91/74/86/992917486.db2.gz	UFTMDWYUGRORIK-CYBMUJFWSA-N	1	0	371.528	1.355	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)CC[N@@H+]1C	ZINC000964941320	1015740162	/nfs/dbraw/zinc/74/01/62/1015740162.db2.gz	MKQLTZKBWOZBGK-BPQIPLTHSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CC[NH2+][C@H](C)C2)s1	ZINC000876832524	992929931	/nfs/dbraw/zinc/92/99/31/992929931.db2.gz	DQVDIBYFEZHEQB-NEPJUHHUSA-N	1	0	357.501	1.012	20	30		FDEDRO
N#Cc1ccc(C2(C(=O)N3CC[C@H](N4CC[NH2+]CC4)C3)CCCC2)cc1	ZINC000876846295	992935817	/nfs/dbraw/zinc/93/58/17/992935817.db2.gz	AQIMXSUDINRQEW-IBGZPJMESA-N	1	0	352.482	1.876	20	30		FDEDRO
CCN(CCC#N)C(=O)CN(C)C1CC[NH+](CCc2ccncc2)CC1	ZINC000374750853	992935906	/nfs/dbraw/zinc/93/59/06/992935906.db2.gz	GSHGEKURFHWOOV-UHFFFAOYSA-N	1	0	357.502	1.782	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)N(C)C1CC[NH+](CCc2ccncc2)CC1	ZINC000374753172	992936560	/nfs/dbraw/zinc/93/65/60/992936560.db2.gz	UPWPOIDPNXCYFB-QGZVFWFLSA-N	1	0	357.502	1.781	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCN(Cc2ccncc2)CC1	ZINC000876872737	992943424	/nfs/dbraw/zinc/94/34/24/992943424.db2.gz	LJYFUVVWXOZSQR-FQEVSTJZSA-N	1	0	361.449	1.484	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(C(=O)NCc2cccnc2)CC1	ZINC000876874702	992944742	/nfs/dbraw/zinc/94/47/42/992944742.db2.gz	JWXZCAINUHJQLB-HNNXBMFYSA-N	1	0	350.850	1.406	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1	ZINC000876877687	992946367	/nfs/dbraw/zinc/94/63/67/992946367.db2.gz	ZQBAVDYRKSNPLB-ZDUSSCGKSA-N	1	0	361.833	1.317	20	30		FDEDRO
CN(CC(C)(C)CN1CCOCC1)C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000876889309	992950360	/nfs/dbraw/zinc/95/03/60/992950360.db2.gz	JUSZTPXQAFCJHW-IBGZPJMESA-N	1	0	370.497	1.562	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1cccc(N2CCCS2(=O)=O)c1	ZINC000876895646	992955293	/nfs/dbraw/zinc/95/52/93/992955293.db2.gz	HLXUJDKUPRJDJR-CQSZACIVSA-N	1	0	357.863	1.313	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN(C)[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000374921360	992967867	/nfs/dbraw/zinc/96/78/67/992967867.db2.gz	XWSLFRCPSFCMSQ-AEFFLSMTSA-N	1	0	374.485	1.220	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCSC2(CCOCC2)C1	ZINC000876942957	992976219	/nfs/dbraw/zinc/97/62/19/992976219.db2.gz	KFAAFOVZZRBGNK-QGZVFWFLSA-N	1	0	357.479	1.870	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)cc1	ZINC000375064167	992989014	/nfs/dbraw/zinc/98/90/14/992989014.db2.gz	HQJXFWVAVAJOCD-YOEHRIQHSA-N	1	0	370.453	1.094	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@@H](n1cccn1)C(F)(F)F	ZINC000876991607	992997965	/nfs/dbraw/zinc/99/79/65/992997965.db2.gz	REQJKRARNAUUIV-HUUCEWRRSA-N	1	0	363.343	1.861	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[NH2+]C[C@H]2C(C)C)s1	ZINC000876997918	993000247	/nfs/dbraw/zinc/00/02/47/993000247.db2.gz	JZQWTIOCVYAYHO-AWEZNQCLSA-N	1	0	371.528	1.211	20	30		FDEDRO
COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(OCC#N)cc2)O1	ZINC001137116723	993083605	/nfs/dbraw/zinc/08/36/05/993083605.db2.gz	OGKSIXIQPOWXOR-KURKYZTESA-N	1	0	359.426	1.083	20	30		FDEDRO
COC[C@@]1(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)CCCC[NH2+]1	ZINC000877249126	993147677	/nfs/dbraw/zinc/14/76/77/993147677.db2.gz	HWURPEINMATHLU-LJQANCHMSA-N	1	0	360.433	1.505	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)CN2CCC[N@@H+]([C@H](C)CO)CC2)c1C	ZINC000375483784	993179773	/nfs/dbraw/zinc/17/97/73/993179773.db2.gz	MNZJZOMHDKFFRI-GOSISDBHSA-N	1	0	372.513	1.939	20	30		FDEDRO
C#C[C@@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccccc1	ZINC000825965067	993297820	/nfs/dbraw/zinc/29/78/20/993297820.db2.gz	SQMLWJFBOMAAIZ-GOSISDBHSA-N	1	0	356.470	1.603	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1CNCC(=O)NCC[NH+]1CCCCCC1	ZINC000877549071	993334438	/nfs/dbraw/zinc/33/44/38/993334438.db2.gz	XPQWKPKZNDAHGD-UHFFFAOYSA-N	1	0	357.502	1.706	20	30		FDEDRO
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1	ZINC000468640399	993588207	/nfs/dbraw/zinc/58/82/07/993588207.db2.gz	IEQQSRMYZSBZQI-IBGZPJMESA-N	1	0	370.497	1.953	20	30		FDEDRO
C[NH+]1CCC(NC(=O)CN2CCN([C@@H](C#N)c3ccccc3)CC2)CC1	ZINC000878252675	993839956	/nfs/dbraw/zinc/83/99/56/993839956.db2.gz	RAYMRCZYJCYCEU-IBGZPJMESA-N	1	0	355.486	1.079	20	30		FDEDRO
C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1	ZINC000470014097	993932456	/nfs/dbraw/zinc/93/24/56/993932456.db2.gz	UYGKYFDJRGTZHL-OALUTQOASA-N	1	0	368.481	1.992	20	30		FDEDRO
COCCO[C@@H]1C[C@@H](CO)C[N@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C1	ZINC000878522601	993996455	/nfs/dbraw/zinc/99/64/55/993996455.db2.gz	PKOOIKWRMIYUNA-HMXCVIKNSA-N	1	0	374.481	1.773	20	30		FDEDRO
C[C@@H]1C[N@H+]([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)C[C@H](C)N1CC#N	ZINC000878773193	994216133	/nfs/dbraw/zinc/21/61/33/994216133.db2.gz	WOTBWACTOJWRML-OLMMMNRUSA-N	1	0	366.506	1.665	20	30		FDEDRO
C#CCN(C(=O)NC[C@@H]1C[C@H](OC)CN1c1cc(N(C)C)ncn1)C(C)C	ZINC000923968197	994304262	/nfs/dbraw/zinc/30/42/62/994304262.db2.gz	VCCXSMZIBQJKNX-HOTGVXAUSA-N	1	0	374.489	1.190	20	30		FDEDRO
C=CCOC(=O)[C@H](CC(=O)N1CCN(C)[C@@H](C)C1)NC(=O)OC(C)(C)C	ZINC000878976998	994400818	/nfs/dbraw/zinc/40/08/18/994400818.db2.gz	LVMRPJQCZFBRLS-KBPBESRZSA-N	1	0	369.462	1.162	20	30		FDEDRO
N#Cc1ccc(C2CC[NH+](CC(=O)N3CCC4(CC3)OCCO4)CC2)nc1	ZINC000879026856	994455784	/nfs/dbraw/zinc/45/57/84/994455784.db2.gz	XPPHIEKMYLMAPE-UHFFFAOYSA-N	1	0	370.453	1.498	20	30		FDEDRO
C[NH+](C)CCOc1ccc(/C=C/C(=O)OCC(=O)NC2(C#N)CCC2)cc1	ZINC000924186406	994464460	/nfs/dbraw/zinc/46/44/60/994464460.db2.gz	QAXRBIHTDPFHNF-RMKNXTFCSA-N	1	0	371.437	1.746	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@H+]2CCc3c(CC(N)=O)cccc3C2)CCOCC1	ZINC000879233565	994679270	/nfs/dbraw/zinc/67/92/70/994679270.db2.gz	CUQACPMLWLCMFH-KRWDZBQOSA-N	1	0	357.454	1.144	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)CC1	ZINC000965196692	1015893639	/nfs/dbraw/zinc/89/36/39/1015893639.db2.gz	IEAMSNHEDUTEOG-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@H](CC)c2cccc(OC)c2OC)CC1	ZINC000879465014	994929838	/nfs/dbraw/zinc/92/98/38/994929838.db2.gz	ZVSMEFLOCPGEBR-QGZVFWFLSA-N	1	0	359.470	1.522	20	30		FDEDRO
CN1CC[NH+](C2CCN([C@H]3CCN(c4sccc4C#N)C3=O)CC2)CC1	ZINC000879593732	995064098	/nfs/dbraw/zinc/06/40/98/995064098.db2.gz	LMDBNSNFOAIZRQ-KRWDZBQOSA-N	1	0	373.526	1.437	20	30		FDEDRO
CONC(=O)C1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000879923783	995398847	/nfs/dbraw/zinc/39/88/47/995398847.db2.gz	JTTSTGGWZLTATL-QGZVFWFLSA-N	1	0	356.426	1.443	20	30		FDEDRO
CONC(=O)C1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000879925292	995401568	/nfs/dbraw/zinc/40/15/68/995401568.db2.gz	STXQUQLYOSWKHR-UHFFFAOYSA-N	1	0	364.833	1.930	20	30		FDEDRO
C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1C(=O)CNC1=O	ZINC001110900937	995467316	/nfs/dbraw/zinc/46/73/16/995467316.db2.gz	YHEWSWVIKXVFKH-ZACQAIPSSA-N	1	0	374.485	1.234	20	30		FDEDRO
C[C@H]1[C@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC[N@@H+]1C	ZINC000925318976	995485517	/nfs/dbraw/zinc/48/55/17/995485517.db2.gz	REFJYSGQTFSDSH-GXTWGEPZSA-N	1	0	358.446	1.348	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C)cc1	ZINC000925947279	995849294	/nfs/dbraw/zinc/84/92/94/995849294.db2.gz	UWTLMJDMJYHYIG-IUODEOHRSA-N	1	0	352.460	1.223	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O	ZINC000926144088	995935451	/nfs/dbraw/zinc/93/54/51/995935451.db2.gz	SMWHBVBCONCYNX-BMGDNIKJSA-N	1	0	351.491	1.053	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)Cc1ccc(OCC#N)cc1)C2	ZINC000926173617	995957786	/nfs/dbraw/zinc/95/77/86/995957786.db2.gz	XJHULBKUOZYKBC-QCFAMHMHSA-N	1	0	371.481	1.727	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)CNc1ccc(C#N)cc1)C2	ZINC000926179784	995962554	/nfs/dbraw/zinc/96/25/54/995962554.db2.gz	LFZQLTMCJILRHD-LFGUQSLTSA-N	1	0	356.470	1.566	20	30		FDEDRO
CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)[C@H](O)c3ccc(C#N)cc3)C2)[C@@H]1C(C)C	ZINC000926248105	995995283	/nfs/dbraw/zinc/99/52/83/995995283.db2.gz	YMHVEVPTXGGXAQ-TYZHSBRISA-N	1	0	371.481	1.578	20	30		FDEDRO
CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)COc3cccc(C#N)c3)C2)[C@@H]1C(C)C	ZINC000926254398	995999775	/nfs/dbraw/zinc/99/97/75/995999775.db2.gz	IROBKXJOLGNFTC-QCFAMHMHSA-N	1	0	371.481	1.923	20	30		FDEDRO
COC[C@@H](CO)[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1	ZINC000926337134	996068085	/nfs/dbraw/zinc/06/80/85/996068085.db2.gz	JEDZCIVAFOEBLP-HUUCEWRRSA-N	1	0	355.479	1.903	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)NCC(=O)NCc1ccccc1)c1ccc(C#N)cc1	ZINC000926968817	996381939	/nfs/dbraw/zinc/38/19/39/996381939.db2.gz	ZADLKETZTDLVMA-OAHLLOKOSA-N	1	0	350.422	1.641	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+][C@@H]1CCN(C)C1=O)C2	ZINC000965423997	1016059660	/nfs/dbraw/zinc/05/96/60/1016059660.db2.gz	FQUADSHATRWFQT-SIWCOCFESA-N	1	0	361.486	1.215	20	30		FDEDRO
C#CCC1([NH2+]C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)CCOCC1	ZINC000887122119	996953513	/nfs/dbraw/zinc/95/35/13/996953513.db2.gz	LKUZFAXUUULMQB-MRXNPFEDSA-N	1	0	358.438	1.473	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)Nc2ccc(Br)cn2)CCOCC1	ZINC000887123209	996953540	/nfs/dbraw/zinc/95/35/40/996953540.db2.gz	FCXOPHMBDRMTNX-UHFFFAOYSA-N	1	0	352.232	1.945	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)NCc2ccccc2Cn2cccn2)CCOCC1	ZINC000887123428	996954095	/nfs/dbraw/zinc/95/40/95/996954095.db2.gz	ORJPRSJKUUYUFU-UHFFFAOYSA-N	1	0	366.465	1.710	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)CCOCC1	ZINC000887123470	996954304	/nfs/dbraw/zinc/95/43/04/996954304.db2.gz	QDFAQLLBAQRQNZ-UHFFFAOYSA-N	1	0	359.382	1.226	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N(CC(=O)OCC)c2ccccc2)CCOCC1	ZINC000887125820	996955167	/nfs/dbraw/zinc/95/51/67/996955167.db2.gz	LDAZWVQWBMIWJU-UHFFFAOYSA-N	1	0	358.438	1.745	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)OC)CCOCC1	ZINC000887126173	996956137	/nfs/dbraw/zinc/95/61/37/996956137.db2.gz	ZHMPITHHWURXFK-GOSISDBHSA-N	1	0	370.449	1.275	20	30		FDEDRO
C=CCOCCn1cc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)nn1	ZINC000887442511	997275166	/nfs/dbraw/zinc/27/51/66/997275166.db2.gz	JAPVWXRIVLDIOA-UHFFFAOYSA-N	1	0	365.478	1.970	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCCNC(=O)c2ccc(OC)cc2)cc1	ZINC000264085230	997399278	/nfs/dbraw/zinc/39/92/78/997399278.db2.gz	JBIQZLNAURPDRW-UHFFFAOYSA-N	1	0	370.453	1.581	20	30		FDEDRO
CCOCc1ccccc1CNC(=[NH2+])N1CCN(c2ncccn2)CC1	ZINC000264084761	997399832	/nfs/dbraw/zinc/39/98/32/997399832.db2.gz	IZAKQNBTEVUEGP-UHFFFAOYSA-N	1	0	354.458	1.650	20	30		FDEDRO
CNC(=O)c1cccc(CNC(=[NH2+])NCCc2ccc(OC)c(OC)c2)c1	ZINC000264129831	997407255	/nfs/dbraw/zinc/40/72/55/997407255.db2.gz	XPYJBSUJWWYHLX-UHFFFAOYSA-N	1	0	370.453	1.710	20	30		FDEDRO
Cc1ccc([C@@H](CNC(=[NH2+])NCCCN2CCOCC2)N2CCCC2)o1	ZINC000264257721	997440391	/nfs/dbraw/zinc/44/03/91/997440391.db2.gz	ILDLTDSNHGKEKC-QGZVFWFLSA-N	1	0	363.506	1.352	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NC[C@@H](O)Cc2ccccc2)cc1OC	ZINC000264272199	997443068	/nfs/dbraw/zinc/44/30/68/997443068.db2.gz	LXEBKLJNZZEVPQ-KRWDZBQOSA-N	1	0	357.454	1.754	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)CC1	ZINC000264372855	997485584	/nfs/dbraw/zinc/48/55/84/997485584.db2.gz	GWZFHMNFHVXDPN-HXUWFJFHSA-N	1	0	372.513	1.837	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2ccc(N3CCOCC3)nc2)CC1	ZINC000264448149	997514104	/nfs/dbraw/zinc/51/41/04/997514104.db2.gz	YCFCCRVXNUAXJB-UHFFFAOYSA-N	1	0	359.474	1.368	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)CCC(=O)N(CCC#N)c1ccccc1	ZINC000264671300	997566433	/nfs/dbraw/zinc/56/64/33/997566433.db2.gz	AXFVOVGQWALIGC-GOSISDBHSA-N	1	0	371.485	1.075	20	30		FDEDRO
COCCN(CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccc2c(c1)OCO2	ZINC000264697735	997572179	/nfs/dbraw/zinc/57/21/79/997572179.db2.gz	FYIJUTOMWKRIES-IBGZPJMESA-N	1	0	361.442	1.918	20	30		FDEDRO
C#CCC1(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CCOCC1	ZINC000887661485	997607488	/nfs/dbraw/zinc/60/74/88/997607488.db2.gz	DNHOMJRHZXLDLJ-UHFFFAOYSA-N	1	0	371.485	1.205	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N(C)Cc1cc(C)on1)C(C)C	ZINC000283016660	997698775	/nfs/dbraw/zinc/69/87/75/997698775.db2.gz	BHMOITQZOUSDMO-QGZVFWFLSA-N	1	0	362.474	1.756	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)NC1CC[NH+](CCCOC)CC1	ZINC000265123183	997705363	/nfs/dbraw/zinc/70/53/63/997705363.db2.gz	CWEWITMXOWQNTG-UHFFFAOYSA-N	1	0	359.470	1.999	20	30		FDEDRO
CC(C)[NH+]1CCN(CCCC(=O)N2CCC3(CC2)CC(=O)C=CO3)CC1	ZINC000887770837	997771698	/nfs/dbraw/zinc/77/16/98/997771698.db2.gz	HFDIHPCQWTZBPF-UHFFFAOYSA-N	1	0	363.502	1.657	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](O)C1	ZINC000965533886	1016157916	/nfs/dbraw/zinc/15/79/16/1016157916.db2.gz	SCQWEUNPIPHCLK-KGLIPLIRSA-N	1	0	365.499	1.323	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)NCc1ccccc1)N1CCc2ccccc21	ZINC000103903142	998252398	/nfs/dbraw/zinc/25/23/98/998252398.db2.gz	TWUABWJJEJFOIB-UHFFFAOYSA-N	1	0	372.494	1.744	20	30		FDEDRO
C#CCC1(NC(=O)NCC2CC[NH+](C3CCOCC3)CC2)CCOCC1	ZINC000889325129	998287661	/nfs/dbraw/zinc/28/76/61/998287661.db2.gz	LBHBMDRPLBDWSZ-UHFFFAOYSA-N	1	0	363.502	1.749	20	30		FDEDRO
N#Cc1cc(F)cc(C2(C(=O)N3CC[C@H]4[C@H]3CCC[N@H+]4CCO)CC2)c1	ZINC000889756555	998604490	/nfs/dbraw/zinc/60/44/90/998604490.db2.gz	OKWWHVWENNZEST-ZWKOTPCHSA-N	1	0	357.429	1.787	20	30		FDEDRO
N#CCn1c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cc2ccccc21	ZINC000889768105	998626593	/nfs/dbraw/zinc/62/65/93/998626593.db2.gz	CNCOFHUNCNMGJL-QZTJIDSGSA-N	1	0	352.438	1.836	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(CC#N)n1)c1ccc(F)cc1	ZINC000889862284	998710840	/nfs/dbraw/zinc/71/08/40/998710840.db2.gz	HPQWDXHJBSBKCK-MRXNPFEDSA-N	1	0	369.400	1.644	20	30		FDEDRO
C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2cccc(CC#N)n2)C1	ZINC000889866540	998712910	/nfs/dbraw/zinc/71/29/10/998712910.db2.gz	IMBLPGCBSBPLNQ-GJZGRUSLSA-N	1	0	371.485	1.959	20	30		FDEDRO
N#CCCCCNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000889902875	998722600	/nfs/dbraw/zinc/72/26/00/998722600.db2.gz	OCYHIZZWTURYNB-GOSISDBHSA-N	1	0	369.469	1.720	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)ccc1C1CC1	ZINC000889907907	998724562	/nfs/dbraw/zinc/72/45/62/998724562.db2.gz	BIXKOCSXJXBVOS-KRWDZBQOSA-N	1	0	352.438	1.975	20	30		FDEDRO
C=CCN(C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H](C)COC	ZINC000890129983	998832060	/nfs/dbraw/zinc/83/20/60/998832060.db2.gz	HFUOGUKRTCPAPH-MSOLQXFVSA-N	1	0	368.522	1.016	20	30		FDEDRO
C=C[C@H]1CCCCN1C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000890134804	998833638	/nfs/dbraw/zinc/83/36/38/998833638.db2.gz	SXHRJRRKJBVYMB-MSOLQXFVSA-N	1	0	350.507	1.533	20	30		FDEDRO
C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000890137360	998835454	/nfs/dbraw/zinc/83/54/54/998835454.db2.gz	DGPNWRYDHPMRAC-QAPCUYQASA-N	1	0	369.469	1.528	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)n1	ZINC000890391164	998927633	/nfs/dbraw/zinc/92/76/33/998927633.db2.gz	WHKDZZYLBTXMOR-HNNXBMFYSA-N	1	0	355.442	1.324	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)Cc3ccccc3CC#N)ccn2)CC1	ZINC000777307131	999001896	/nfs/dbraw/zinc/00/18/96/999001896.db2.gz	UGCYQBQOMGVBJU-UHFFFAOYSA-N	1	0	363.465	1.758	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2	ZINC001110862409	999069552	/nfs/dbraw/zinc/06/95/52/999069552.db2.gz	OGLFQXUGUAYKFQ-ZACQAIPSSA-N	1	0	362.518	1.275	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c(C)nn(C)c1C)C2	ZINC001110873212	999092335	/nfs/dbraw/zinc/09/23/35/999092335.db2.gz	LJFTXQPVRKECNJ-QRQLOZEOSA-N	1	0	360.502	1.894	20	30		FDEDRO
CC[N@H+](C)C[C@@H]1CCN(CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1	ZINC000266600882	999198186	/nfs/dbraw/zinc/19/81/86/999198186.db2.gz	DLKDITIGJCCKOI-GOEBONIOSA-N	1	0	367.453	1.785	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1	ZINC000266782922	999232830	/nfs/dbraw/zinc/23/28/30/999232830.db2.gz	KFRVBOXXNJQAHF-QGZVFWFLSA-N	1	0	358.486	1.381	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(NC(=O)OCC)cc2)CC1	ZINC000266821830	999239668	/nfs/dbraw/zinc/23/96/68/999239668.db2.gz	ZXYYFFPRGCCPQB-UHFFFAOYSA-N	1	0	374.441	1.960	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCC2(C(=O)N(C)C)CCCC2)cc1OC	ZINC000267421286	999331454	/nfs/dbraw/zinc/33/14/54/999331454.db2.gz	KMSWHCJMIPWUIL-UHFFFAOYSA-N	1	0	362.474	1.757	20	30		FDEDRO
COc1cccc([C@@H](O)CNC(=[NH2+])NCc2ccc(OC)c(OC)c2)c1	ZINC000267437754	999335298	/nfs/dbraw/zinc/33/52/98/999335298.db2.gz	OFVOBIVFUDPCKI-INIZCTEOSA-N	1	0	359.426	1.850	20	30		FDEDRO
CC(C)[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)c1cccnc1	ZINC000267539836	999357798	/nfs/dbraw/zinc/35/77/98/999357798.db2.gz	AXXZNCGICVMDHN-QGZVFWFLSA-N	1	0	353.474	1.748	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(OCC#N)c2)C1	ZINC000268694792	999449582	/nfs/dbraw/zinc/44/95/82/999449582.db2.gz	QMWCMTDQRKUAKD-OAHLLOKOSA-N	1	0	358.442	1.622	20	30		FDEDRO
N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CC[C@@H](C[NH+]3CCCCC3)C1)CC2	ZINC000270189277	999522988	/nfs/dbraw/zinc/52/29/88/999522988.db2.gz	NGROFNKPDVTYDW-KRWDZBQOSA-N	1	0	366.465	1.782	20	30		FDEDRO
COC(=O)C1CC[NH+](CCCNC(=O)Cc2cccc(OCC#N)c2)CC1	ZINC000270438351	999558763	/nfs/dbraw/zinc/55/87/63/999558763.db2.gz	IBMJEVITSYWLLU-UHFFFAOYSA-N	1	0	373.453	1.523	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCCCC[NH+]2CCC(C)CC2)nn1CCC#N	ZINC000270982395	999644971	/nfs/dbraw/zinc/64/49/71/999644971.db2.gz	BXQNJEJZSOBQAL-UHFFFAOYSA-N	1	0	374.489	1.672	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)nn1CCC#N	ZINC000271116550	999663751	/nfs/dbraw/zinc/66/37/51/999663751.db2.gz	INFDCEPFZOUMMH-INIZCTEOSA-N	1	0	374.489	1.528	20	30		FDEDRO
COc1ccc(COCCNC(=[NH2+])N2CCN(c3ncccn3)CC2)cc1	ZINC000271285690	999685629	/nfs/dbraw/zinc/68/56/29/999685629.db2.gz	DGZNVDFKIICZIT-UHFFFAOYSA-N	1	0	370.457	1.139	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000283448243	999754347	/nfs/dbraw/zinc/75/43/47/999754347.db2.gz	MMKUBIIQOZECMT-UHFFFAOYSA-N	1	0	372.513	1.345	20	30		FDEDRO
CN(C)c1noc(CON=C(N)c2cccc(C[NH+]3CCCCC3)c2)n1	ZINC000283456101	999754601	/nfs/dbraw/zinc/75/46/01/999754601.db2.gz	FIPSCYDEUJVJGN-UHFFFAOYSA-N	1	0	358.446	1.959	20	30		FDEDRO
C#CCN(C)C(=O)C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000283585659	999757519	/nfs/dbraw/zinc/75/75/19/999757519.db2.gz	KRINUKXXHAEDIP-KRWDZBQOSA-N	1	0	365.437	1.360	20	30		FDEDRO
N#Cc1cccc(OCC[NH+]2CCC(n3cnc(C(N)=O)c3N)CC2)c1	ZINC000284400793	999824773	/nfs/dbraw/zinc/82/47/73/999824773.db2.gz	WKIMVNXOVFNUTK-UHFFFAOYSA-N	1	0	354.414	1.152	20	30		FDEDRO
COc1cc(/C=C/C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)ccc1OCC#N	ZINC000285344113	999910141	/nfs/dbraw/zinc/91/01/41/999910141.db2.gz	TXDVCKGWBRLTSN-JSYWMUGDSA-N	1	0	371.437	1.542	20	30		FDEDRO
CCCC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)CC1	ZINC000285899711	999923773	/nfs/dbraw/zinc/92/37/73/999923773.db2.gz	MWJPJNLWTCMEAI-UHFFFAOYSA-N	1	0	356.470	1.897	20	30		FDEDRO
CC[NH+]1CCN(c2ccccc2NC(=O)NCCn2cnc(C#N)n2)CC1	ZINC000285901582	999923992	/nfs/dbraw/zinc/92/39/92/999923992.db2.gz	ZUIJCGWAFNUJPQ-UHFFFAOYSA-N	1	0	368.445	1.113	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)CC1	ZINC000286510520	999945066	/nfs/dbraw/zinc/94/50/66/999945066.db2.gz	KVVBCMJDDJSGMN-UHFFFAOYSA-N	1	0	354.454	1.673	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)CCOc2ccccc2C)CC1	ZINC000286730097	999947753	/nfs/dbraw/zinc/94/77/53/999947753.db2.gz	RNYDYOMYKDZYMY-UHFFFAOYSA-N	1	0	359.470	1.599	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1	ZINC000286730599	999947790	/nfs/dbraw/zinc/94/77/90/999947790.db2.gz	QCNWDTJBIXRZSY-MJGOQNOKSA-N	1	0	373.497	1.865	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)NCCCCC#N)cc1	ZINC000286765203	999949700	/nfs/dbraw/zinc/94/97/00/999949700.db2.gz	SSBXCOMROMEAFI-UHFFFAOYSA-N	1	0	360.458	1.096	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)NCc1cccc(CN2CCO[C@H](C)C2)c1	ZINC000286782550	999950857	/nfs/dbraw/zinc/95/08/57/999950857.db2.gz	MRCZUKCXLCOWCP-MRXNPFEDSA-N	1	0	359.470	1.558	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NCCCCC#N	ZINC000286818203	999951106	/nfs/dbraw/zinc/95/11/06/999951106.db2.gz	WSGIMWOLWLGYRW-FUHWJXTLSA-N	1	0	356.470	1.823	20	30		FDEDRO
CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1cc(C)n(CCC#N)n1	ZINC000288155015	999991361	/nfs/dbraw/zinc/99/13/61/999991361.db2.gz	PPEOGTSCVKAKKS-UHFFFAOYSA-N	1	0	374.489	1.768	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1	ZINC000288199025	999996265	/nfs/dbraw/zinc/99/62/65/999996265.db2.gz	SHHXSGGBBFNRSA-WBVHZDCISA-N	1	0	355.438	1.722	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1ccnn1C1CC[NH+](CC)CC1)C(C)(C)C	ZINC000288434350	1000016426	/nfs/dbraw/zinc/01/64/26/1000016426.db2.gz	OYXKCPBCONBASO-HNNXBMFYSA-N	1	0	359.474	1.643	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1	ZINC000288852247	1000052674	/nfs/dbraw/zinc/05/26/74/1000052674.db2.gz	PFILYAKPTDUVAX-KUHUBIRLSA-N	1	0	363.433	1.453	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1	ZINC000288884197	1000055949	/nfs/dbraw/zinc/05/59/49/1000055949.db2.gz	HZHPMRRWYAACKK-WBVHZDCISA-N	1	0	371.481	1.951	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1	ZINC000289521462	1000104014	/nfs/dbraw/zinc/10/40/14/1000104014.db2.gz	PTFFOUIGWLILPQ-OALUTQOASA-N	1	0	373.497	1.504	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CCN(CC(=O)NC(=O)NCc3ccco3)C2)nc1	ZINC000292172253	1000217236	/nfs/dbraw/zinc/21/72/36/1000217236.db2.gz	LYROZSGBQDNLKX-HNNXBMFYSA-N	1	0	369.381	1.025	20	30		FDEDRO
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1	ZINC000927633624	1000948148	/nfs/dbraw/zinc/94/81/48/1000948148.db2.gz	PKIRPKQQJGLPFY-MOPGFXCFSA-N	1	0	372.469	1.486	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)cc1	ZINC000927642638	1000961912	/nfs/dbraw/zinc/96/19/12/1000961912.db2.gz	RFVRBWFRIIMWIP-SFHVURJKSA-N	1	0	372.469	1.977	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CCC([C@@H](C)[NH3+])CC3)cc21	ZINC000927793113	1001050457	/nfs/dbraw/zinc/05/04/57/1001050457.db2.gz	PEKXLQQTFAVGRP-CYBMUJFWSA-N	1	0	355.442	1.747	20	30		FDEDRO
C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000927816866	1001077189	/nfs/dbraw/zinc/07/71/89/1001077189.db2.gz	VFPNKGYZPPCEOB-WBVHZDCISA-N	1	0	362.433	1.392	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c(F)c1	ZINC000927845562	1001106378	/nfs/dbraw/zinc/10/63/78/1001106378.db2.gz	MVVKDXVLGMBCFZ-GXSJLCMTSA-N	1	0	358.295	1.374	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(NC(=O)C[C@@H]3C[C@H]3C3CC3)CC2)CC1	ZINC000947041677	1001445809	/nfs/dbraw/zinc/44/58/09/1001445809.db2.gz	OLXWZXIIHBDAAJ-ICSRJNTNSA-N	1	0	371.525	1.875	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCCC1(F)F)C2	ZINC001110945641	1001503046	/nfs/dbraw/zinc/50/30/46/1001503046.db2.gz	WZSYAMOYMCVBLT-TUVASFSCSA-N	1	0	353.413	1.283	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)ccc1F	ZINC000928456678	1001533026	/nfs/dbraw/zinc/53/30/26/1001533026.db2.gz	PRRZJJKBJNQCAP-SMDDNHRTSA-N	1	0	355.435	1.112	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccc(NCc3cnn(C)c3)cc2)CC1	ZINC000928647763	1001605678	/nfs/dbraw/zinc/60/56/78/1001605678.db2.gz	JZVFQXRLKKCLLH-UHFFFAOYSA-N	1	0	351.454	1.860	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2c[nH]cc3nc(C(F)(F)F)nc2-3)CC1	ZINC000928648271	1001606501	/nfs/dbraw/zinc/60/65/01/1001606501.db2.gz	IKKXNTYXDOPEND-UHFFFAOYSA-N	1	0	351.332	1.804	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cc3c(nc4ccccn4c3=O)n2C)CC1	ZINC000928652899	1001609753	/nfs/dbraw/zinc/60/97/53/1001609753.db2.gz	QSARSOYBLLSZBY-UHFFFAOYSA-N	1	0	363.421	1.014	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccc(OC)c(Br)n2)CC1	ZINC000928654152	1001610452	/nfs/dbraw/zinc/61/04/52/1001610452.db2.gz	PEOATRUILCAFGH-UHFFFAOYSA-N	1	0	352.232	1.680	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cc(C)n(-c3nc(C)cc(C)n3)n2)CC1	ZINC000928654610	1001611338	/nfs/dbraw/zinc/61/13/38/1001611338.db2.gz	JDUNJZMDXOUEJH-UHFFFAOYSA-N	1	0	352.442	1.415	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(OC)cc2)CC1	ZINC000928655153	1001611360	/nfs/dbraw/zinc/61/13/60/1001611360.db2.gz	LWVWAUAXIWUZKB-UYAOXDASSA-N	1	0	369.465	1.428	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)CC1	ZINC000928655853	1001611797	/nfs/dbraw/zinc/61/17/97/1001611797.db2.gz	ATQNLWDRVZIKBI-MRXNPFEDSA-N	1	0	360.502	1.564	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cc(C3CC3)nc3c2c(=O)[nH]n3C)CC1	ZINC000928656553	1001612436	/nfs/dbraw/zinc/61/24/36/1001612436.db2.gz	AFGLPIOHPOHHCJ-UHFFFAOYSA-N	1	0	353.426	1.379	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CCN(c3cc(C)cc(C)c3)C2=O)CC1	ZINC000928656970	1001612551	/nfs/dbraw/zinc/61/25/51/1001612551.db2.gz	HQOQJWXTUNQYLH-IBGZPJMESA-N	1	0	353.466	1.870	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccc(C#N)cc1	ZINC000929379491	1001982384	/nfs/dbraw/zinc/98/23/84/1001982384.db2.gz	LVXHQSRZKIYKSR-KSSFIOAISA-N	1	0	370.453	1.105	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC000948205396	1002176233	/nfs/dbraw/zinc/17/62/33/1002176233.db2.gz	VYUPUPPLTAMPEH-UWWQBHOKSA-N	1	0	371.485	1.726	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1	ZINC000948409784	1002310781	/nfs/dbraw/zinc/31/07/81/1002310781.db2.gz	HTYCEVHNCOVLDQ-AYBZRNKSSA-N	1	0	363.502	1.559	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC000948458243	1002361839	/nfs/dbraw/zinc/36/18/39/1002361839.db2.gz	GINJLXNUVLFIGA-OLMNPRSZSA-N	1	0	371.485	1.726	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1CC	ZINC000076300909	1002387059	/nfs/dbraw/zinc/38/70/59/1002387059.db2.gz	KTIHWBGQTPCZGE-OAHLLOKOSA-N	1	0	361.417	1.767	20	30		FDEDRO
C#CC[N@@H+](CC)C[C@@H](O)COc1cn(-c2ccccc2)nc1C(=O)OC	ZINC000929786633	1002439427	/nfs/dbraw/zinc/43/94/27/1002439427.db2.gz	GQNVADMYBTXURD-MRXNPFEDSA-N	1	0	357.410	1.354	20	30		FDEDRO
C#CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1	ZINC000948547558	1002445714	/nfs/dbraw/zinc/44/57/14/1002445714.db2.gz	ZOJQWBONVHVTFK-ZNMIVQPWSA-N	1	0	362.392	1.669	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC000948579890	1002467510	/nfs/dbraw/zinc/46/75/10/1002467510.db2.gz	OWHJFVJEQODXNY-XYPHTWIQSA-N	1	0	357.458	1.336	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](CC)C(=O)OC(C)(C)C)CC1	ZINC000930007211	1002729560	/nfs/dbraw/zinc/72/95/60/1002729560.db2.gz	LLNIHLJXOJWVHV-CQSZACIVSA-N	1	0	367.490	1.237	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[C@@H]2CCC3(CCC3)O2)CC1	ZINC000930010266	1002732781	/nfs/dbraw/zinc/73/27/81/1002732781.db2.gz	OLNXPOWCERVAEK-KRWDZBQOSA-N	1	0	363.502	1.751	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1	ZINC000930038643	1002757616	/nfs/dbraw/zinc/75/76/16/1002757616.db2.gz	HSZXFQRQMXVDDG-INIZCTEOSA-N	1	0	357.458	1.811	20	30		FDEDRO
C#Cc1ccc(NC(=O)CCN(CCOC)[C@H]2CCS(=O)(=O)C2)cc1	ZINC000930108448	1002826483	/nfs/dbraw/zinc/82/64/83/1002826483.db2.gz	MKVRIWRQXJYRMN-KRWDZBQOSA-N	1	0	364.467	1.132	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCCC1CCC(OC)CC1)C1CC[NH+](C)CC1	ZINC000930229241	1002948545	/nfs/dbraw/zinc/94/85/45/1002948545.db2.gz	APWABSVIMIKBRA-UHFFFAOYSA-N	1	0	363.502	1.254	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO	ZINC000930390319	1003081849	/nfs/dbraw/zinc/08/18/49/1003081849.db2.gz	HLAAZDOPDXQPTR-HOTGVXAUSA-N	1	0	362.405	1.791	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1cc(=O)[nH]cc1Br	ZINC000930704026	1003416352	/nfs/dbraw/zinc/41/63/52/1003416352.db2.gz	SNHYBBNTPFMXSD-UHFFFAOYSA-N	1	0	355.236	1.857	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH+]2CCC(O)(Cc3cccc(C)c3)CC2)CC1	ZINC000796494501	1016774108	/nfs/dbraw/zinc/77/41/08/1016774108.db2.gz	KOZBBHBWBPZVHI-UHFFFAOYSA-N	1	0	369.509	1.142	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Nc1ccc(CN2C(=O)CCCC2=O)cc1	ZINC000930843646	1003573979	/nfs/dbraw/zinc/57/39/79/1003573979.db2.gz	TVKVPXNRMVDAGT-UHFFFAOYSA-N	1	0	370.453	1.802	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)NC1CCC(C)([NH+]2CCC2)CC1	ZINC000930960176	1003720255	/nfs/dbraw/zinc/72/02/55/1003720255.db2.gz	JGNIUADHQVQCLH-UHFFFAOYSA-N	1	0	353.532	1.935	20	30		FDEDRO
C#CC1(O)CC[NH+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)CC1	ZINC000931145814	1003922791	/nfs/dbraw/zinc/92/27/91/1003922791.db2.gz	FXXBAZMCNRDCFU-UHFFFAOYSA-N	1	0	357.454	1.312	20	30		FDEDRO
COc1cncc(N2CC[NH+](C[C@H](O)CC3(C#N)CCOCC3)CC2)c1	ZINC000931212893	1003965015	/nfs/dbraw/zinc/96/50/15/1003965015.db2.gz	XPTDXMLJTQAXEJ-QGZVFWFLSA-N	1	0	360.458	1.284	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccc(F)c(N3C(=O)CCC3=O)c2)CC1	ZINC000931409943	1004132611	/nfs/dbraw/zinc/13/26/11/1004132611.db2.gz	HBPNLYMWDPVBEE-UHFFFAOYSA-N	1	0	372.400	1.698	20	30		FDEDRO
C[N@@H+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H]1CO	ZINC000931411998	1004135166	/nfs/dbraw/zinc/13/51/66/1004135166.db2.gz	VIGBJPXKVGPCBQ-ZDUSSCGKSA-N	1	0	362.499	1.435	20	30		FDEDRO
N#Cc1ccsc1NC(=O)CCN1CC[NH+](CCCCCO)CC1	ZINC000931500308	1004219888	/nfs/dbraw/zinc/21/98/88/1004219888.db2.gz	NYHQZZYAKXVBEF-UHFFFAOYSA-N	1	0	350.488	1.729	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)Nc1cccc(N2C(=O)N[C@@H](CC)C2=O)c1	ZINC000931506116	1004224915	/nfs/dbraw/zinc/22/49/15/1004224915.db2.gz	RVXZXBGZROVAPH-INIZCTEOSA-N	1	0	371.441	1.598	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2cc(C#N)ccc2F)C[C@H]1C	ZINC000931593917	1004297914	/nfs/dbraw/zinc/29/79/14/1004297914.db2.gz	CMYZJYOXZOXRAF-CJNGLKHVSA-N	1	0	360.433	1.645	20	30		FDEDRO
COc1ccccc1C[C@](C)(CO)[NH2+]CC(=O)NC1(C#N)CCCCC1	ZINC000931607578	1004311753	/nfs/dbraw/zinc/31/17/53/1004311753.db2.gz	QRPDMHIQQFLRSX-LJQANCHMSA-N	1	0	359.470	1.921	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)Nc1cc(NS(C)(=O)=O)ccc1OC	ZINC000931643407	1004358970	/nfs/dbraw/zinc/35/89/70/1004358970.db2.gz	HEUWAXXQXXPZCC-UHFFFAOYSA-N	1	0	368.459	1.143	20	30		FDEDRO
COC1(OC)CCOC[C@@H]1[NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000931672555	1004397353	/nfs/dbraw/zinc/39/73/53/1004397353.db2.gz	XIEOJNPJVALTNB-HNNXBMFYSA-N	1	0	367.833	1.908	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)Nc2ccc(C)c(N3C(=O)CNC3=O)c2)C1	ZINC000931716517	1004439353	/nfs/dbraw/zinc/43/93/53/1004439353.db2.gz	MPJVNSPYGKTUKL-HNNXBMFYSA-N	1	0	369.425	1.270	20	30		FDEDRO
Cn1ccc([C@@H]2CCCN(CCS(=O)(=O)c3ccc(C#N)cc3)C2)n1	ZINC000932135496	1004786211	/nfs/dbraw/zinc/78/62/11/1004786211.db2.gz	LGYPNVHDPQXNBW-MRXNPFEDSA-N	1	0	358.467	1.945	20	30		FDEDRO
COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCC[C@H](C#N)C3)CC2)cc1	ZINC000932153010	1004797137	/nfs/dbraw/zinc/79/71/37/1004797137.db2.gz	LZFMOZJFQMPPIJ-LJQANCHMSA-N	1	0	370.497	1.965	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(C)c(C#N)c2)[C@H](C)C1	ZINC000932477846	1004980085	/nfs/dbraw/zinc/98/00/85/1004980085.db2.gz	BLAKFKWNOQUTPA-QAPCUYQASA-N	1	0	356.470	1.672	20	30		FDEDRO
CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NCc1ccc(C)c(C#N)c1	ZINC000932478303	1004980693	/nfs/dbraw/zinc/98/06/93/1004980693.db2.gz	HGLLWMVSNMYAIL-UHFFFAOYSA-N	1	0	356.470	1.817	20	30		FDEDRO
COc1ncc(NC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)cc1C#N	ZINC000932516471	1004997424	/nfs/dbraw/zinc/99/74/24/1004997424.db2.gz	HKWBLFDSBAXMGU-INIZCTEOSA-N	1	0	359.430	1.680	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H](CN(C)C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000966883301	1016943631	/nfs/dbraw/zinc/94/36/31/1016943631.db2.gz	LKOPCQLBSBASDL-IIDMSEBBSA-N	1	0	371.485	1.537	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH+]3CCC([C@@H]4COC(=O)N4)CC3)C2=O)cc1	ZINC000932778578	1005166587	/nfs/dbraw/zinc/16/65/87/1005166587.db2.gz	WSCHRBHPRQAVJX-ROUUACIJSA-N	1	0	368.437	1.874	20	30		FDEDRO
N#CC[C@@H](NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)C(F)(F)F	ZINC000932889740	1005231964	/nfs/dbraw/zinc/23/19/64/1005231964.db2.gz	HKBUGGVYAPKPCC-CQSZACIVSA-N	1	0	362.396	1.975	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1	ZINC000932949809	1005268043	/nfs/dbraw/zinc/26/80/43/1005268043.db2.gz	DMVISAIYDJHWHZ-UONOGXRCSA-N	1	0	371.528	1.262	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)cc21	ZINC000933082861	1005343560	/nfs/dbraw/zinc/34/35/60/1005343560.db2.gz	ZVHIPCHLTGUIPN-UHFFFAOYSA-N	1	0	372.473	1.706	20	30		FDEDRO
COC(=O)[C@@H]1CC[N@H+](CCC(=O)N(C)CCC#N)[C@@H]([C@H]2CCCO2)C1	ZINC000933183979	1005510696	/nfs/dbraw/zinc/51/06/96/1005510696.db2.gz	TYHNQZRBGNPZOX-BZUAXINKSA-N	1	0	351.447	1.181	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H]1CCCc2ccccc2C1)C1CC[NH+](C)CC1	ZINC000933455378	1005561080	/nfs/dbraw/zinc/56/10/80/1005561080.db2.gz	OPFFUTKIVKDCNF-LJQANCHMSA-N	1	0	367.493	1.606	20	30		FDEDRO
C[N@H+](C[C@H](O)CC1(C#N)CCOCC1)C[C@@H]1CCN1C(=O)OC(C)(C)C	ZINC000933464622	1005562231	/nfs/dbraw/zinc/56/22/31/1005562231.db2.gz	KKSDYABNAJXCLV-JKSUJKDBSA-N	1	0	367.490	1.999	20	30		FDEDRO
COC(=O)CCN1CC[C@H]([NH+]2CCC(c3ccc(C#N)cc3)CC2)C1=O	ZINC000933607540	1005588289	/nfs/dbraw/zinc/58/82/89/1005588289.db2.gz	RLJBKDIIKKTSOD-SFHVURJKSA-N	1	0	355.438	1.902	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2CCO[C@H](c3ccc(C#N)cc3)C2)CC1	ZINC000933624090	1005590998	/nfs/dbraw/zinc/59/09/98/1005590998.db2.gz	UREUYGCBHCBUNY-IBGZPJMESA-N	1	0	356.470	1.532	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)Cc3ccccc31)C2	ZINC001111065003	1005684288	/nfs/dbraw/zinc/68/42/88/1005684288.db2.gz	LPSPYFVDRJOVAA-LMMKCTJWSA-N	1	0	369.465	1.500	20	30		FDEDRO
N#CCCN(C(=O)CN1CC[C@H]2[C@@H]1CCC[N@H+]2CCO)c1ccccc1	ZINC000934254955	1005722288	/nfs/dbraw/zinc/72/22/88/1005722288.db2.gz	GEUYFLRNNNJFQB-OALUTQOASA-N	1	0	356.470	1.464	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H](N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C1=O	ZINC000934262034	1005724962	/nfs/dbraw/zinc/72/49/62/1005724962.db2.gz	ILWKQGQTPLXETB-OAGGEKHMSA-N	1	0	360.483	1.256	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CCC(=O)N2CCN(C(=O)CC#N)CC2)cc1	ZINC000934790428	1005802141	/nfs/dbraw/zinc/80/21/41/1005802141.db2.gz	ZCYSJLXPZMSLNA-UHFFFAOYSA-N	1	0	372.469	1.144	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1	ZINC000778287195	1005826445	/nfs/dbraw/zinc/82/64/45/1005826445.db2.gz	HTJPDQHYYJNXAG-UHFFFAOYSA-N	1	0	359.411	1.817	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NC[C@@H](O)C3CCCCC3)=[NH+]C[C@@H]2C1	ZINC000089120511	1006010291	/nfs/dbraw/zinc/01/02/91/1006010291.db2.gz	UYXAMUDYCXPINW-HZPDHXFCSA-N	1	0	366.506	1.808	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc1	ZINC000638480045	1006541145	/nfs/dbraw/zinc/54/11/45/1006541145.db2.gz	YZSBRQWKECFTDB-UHFFFAOYSA-N	1	0	358.442	1.034	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](CC)CC)C2	ZINC001111169258	1006582478	/nfs/dbraw/zinc/58/24/78/1006582478.db2.gz	KNOITPIUDVGUEG-KURKYZTESA-N	1	0	364.534	1.474	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(OC)c1F)C2	ZINC001111175209	1006627299	/nfs/dbraw/zinc/62/72/99/1006627299.db2.gz	TWAOTDFWLZVVAC-YUELXQCFSA-N	1	0	361.417	1.472	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(C)CCOC1)C2	ZINC001111183305	1006693840	/nfs/dbraw/zinc/69/38/40/1006693840.db2.gz	YNUROXSKOYWNEJ-WWNBULGVSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000954412074	1006747988	/nfs/dbraw/zinc/74/79/88/1006747988.db2.gz	ZXHCNTBNDAYSJZ-BGTYHANMSA-N	1	0	363.502	1.367	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)CC1	ZINC000954414984	1006759171	/nfs/dbraw/zinc/75/91/71/1006759171.db2.gz	GABIWUSCSYQBPE-FUHIMQAGSA-N	1	0	369.509	1.603	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1	ZINC000954508972	1006828972	/nfs/dbraw/zinc/82/89/72/1006828972.db2.gz	FURGPODNUUGRDP-JQHSSLGASA-N	1	0	363.502	1.225	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C(=O)N(C)C(C)C)CC1)C2	ZINC001111199983	1006836816	/nfs/dbraw/zinc/83/68/16/1006836816.db2.gz	BPQVHKPUZXFAOA-ZACQAIPSSA-N	1	0	363.502	1.558	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000956837160	1007196038	/nfs/dbraw/zinc/19/60/38/1007196038.db2.gz	HSCOGUVLEJBCQX-GMBSWORKSA-N	1	0	357.458	1.337	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000956843819	1007200152	/nfs/dbraw/zinc/20/01/52/1007200152.db2.gz	XSNWCMHVXICBRY-FCEWJHQRSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1csc(COC)n1)C2	ZINC001111256193	1007231095	/nfs/dbraw/zinc/23/10/95/1007231095.db2.gz	XQPRURKUNHRMES-OAGGEKHMSA-N	1	0	365.499	1.756	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCCC(N)=O)C3)c1	ZINC001111259241	1007263592	/nfs/dbraw/zinc/26/35/92/1007263592.db2.gz	OHMAAMKAAKVWMB-KURKYZTESA-N	1	0	354.454	1.825	20	30		FDEDRO
C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(C(=O)Nc3cccc(C#N)c3)CC[C@@H]21	ZINC001202782852	1007322967	/nfs/dbraw/zinc/32/29/67/1007322967.db2.gz	GBGMDPYQDXZPLU-NJAFHUGGSA-N	1	0	365.441	1.776	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)NC(=O)CC(C)(C)C)C2	ZINC001111267822	1007403586	/nfs/dbraw/zinc/40/35/86/1007403586.db2.gz	KINJPPVSJFLDCL-VQHPVUNQSA-N	1	0	363.502	1.299	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2C)nc1	ZINC000956989998	1007458267	/nfs/dbraw/zinc/45/82/67/1007458267.db2.gz	XJYZWXNANUMRDE-CRAIPNDOSA-N	1	0	366.465	1.268	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3cccc(F)c3)C[C@H]2C)CC1	ZINC000947293526	1007495741	/nfs/dbraw/zinc/49/57/41/1007495741.db2.gz	IOGGJRDYDSGGNJ-DNVCBOLYSA-N	1	0	371.456	1.748	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@H](OC)C[C@@]2(C)CO)c(OC)c1	ZINC000640010384	1007710668	/nfs/dbraw/zinc/71/06/68/1007710668.db2.gz	STMHFUBRTBRHPO-HLIPFELVSA-N	1	0	365.470	1.635	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1	ZINC000947689499	1007827677	/nfs/dbraw/zinc/82/76/77/1007827677.db2.gz	QRVFDIRJXUFZRJ-SJORKVTESA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000956322828	1008022658	/nfs/dbraw/zinc/02/26/58/1008022658.db2.gz	OYYSMVHYVBHWBR-ULQDDVLXSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C)(NC(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000956322827	1008023333	/nfs/dbraw/zinc/02/33/33/1008023333.db2.gz	OYYSMVHYVBHWBR-BBWFWOEESA-N	1	0	363.502	1.559	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC(C)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)nc1	ZINC000956386846	1008091053	/nfs/dbraw/zinc/09/10/53/1008091053.db2.gz	XKAPPRZPPZVFLM-NVXWUHKLSA-N	1	0	368.481	1.514	20	30		FDEDRO
CC[N@H+](CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C[C@H](C)C#N	ZINC000795878486	1008302957	/nfs/dbraw/zinc/30/29/57/1008302957.db2.gz	ASZIBGIZICRPIE-OAHLLOKOSA-N	1	0	352.479	1.937	20	30		FDEDRO
C=CCn1cc(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)nn1	ZINC000648731226	1008564932	/nfs/dbraw/zinc/56/49/32/1008564932.db2.gz	KLBYBZKNLXZWRY-UHFFFAOYSA-N	1	0	368.485	1.402	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2C2CCC2)CC1	ZINC000950210381	1008847131	/nfs/dbraw/zinc/84/71/31/1008847131.db2.gz	GXRQWJKUZWONOY-CEXWTWQISA-N	1	0	357.498	1.485	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCN1C(=O)C[N@@H+]1CCC(C)(C)C1	ZINC000950216977	1008868158	/nfs/dbraw/zinc/86/81/58/1008868158.db2.gz	UQXJBEHGZGJDIR-RYRKJORJSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@H]2C)nc1	ZINC000950673596	1009496144	/nfs/dbraw/zinc/49/61/44/1009496144.db2.gz	BPYUHDWHIRHGFP-HHXXYDBFSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH+]1CCC(Nc2nccnc2F)CC1	ZINC001111321695	1009599503	/nfs/dbraw/zinc/59/95/03/1009599503.db2.gz	ZLODFJGIHDJKRO-CABCVRRESA-N	1	0	363.437	1.199	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000958859775	1009604099	/nfs/dbraw/zinc/60/40/99/1009604099.db2.gz	JXUOQAXWSIFWFF-RZFFKMDDSA-N	1	0	371.909	1.135	20	30		FDEDRO
CN(CCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)c1cc[nH+]cc1	ZINC000779531748	1009738172	/nfs/dbraw/zinc/73/81/72/1009738172.db2.gz	XXVJGNZZRWEUQL-INIZCTEOSA-N	1	0	373.457	1.879	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1	ZINC000950826247	1009908659	/nfs/dbraw/zinc/90/86/59/1009908659.db2.gz	CWCBROQCVDNSNR-SQNIBIBYSA-N	1	0	363.502	1.417	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)CC2(C)C)CC[N@@H+]1C	ZINC000967047594	1017084275	/nfs/dbraw/zinc/08/42/75/1017084275.db2.gz	WNQALYXFJNLTFN-FRFSOERESA-N	1	0	371.485	1.583	20	30		FDEDRO
C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1	ZINC000950957151	1010113328	/nfs/dbraw/zinc/11/33/28/1010113328.db2.gz	YHLKLUFVEIQGRP-MOPGFXCFSA-N	1	0	365.518	1.365	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@H]3OCCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)CC1	ZINC000960408290	1010143486	/nfs/dbraw/zinc/14/34/86/1010143486.db2.gz	HCSQICPXYZTFLI-ZWKOTPCHSA-N	1	0	361.486	1.267	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1	ZINC000951112785	1010465326	/nfs/dbraw/zinc/46/53/26/1010465326.db2.gz	BBBUTEDWRSYEDE-JFIYKMOQSA-N	1	0	371.481	1.780	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1	ZINC000951113089	1010466178	/nfs/dbraw/zinc/46/61/78/1010466178.db2.gz	OZPTWKPHOXHGDV-SZVBFZGTSA-N	1	0	371.481	1.780	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC000951421427	1010823845	/nfs/dbraw/zinc/82/38/45/1010823845.db2.gz	PLFRPPMECVENKR-ULQDDVLXSA-N	1	0	361.486	1.171	20	30		FDEDRO
Cc1cc(N2CCC[C@@](CO)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C#N)cn1	ZINC001111373463	1010841043	/nfs/dbraw/zinc/84/10/43/1010841043.db2.gz	JDWPFADQFAFCKD-WRWLIDTKSA-N	1	0	371.485	1.049	20	30		FDEDRO
NS(=O)(=O)c1ccc(N=NC2CC[NH+](CCC(F)(F)F)CC2)nc1	ZINC000779773350	1011003801	/nfs/dbraw/zinc/00/38/01/1011003801.db2.gz	OOFHZIPUYJVEED-UHFFFAOYSA-N	1	0	365.381	1.545	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1	ZINC000952067253	1011202093	/nfs/dbraw/zinc/20/20/93/1011202093.db2.gz	SCOAKLQKIDJYFJ-BBWFWOEESA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCN(C(=O)[C@H]3CC[C@@H](C)O3)C2)CC1	ZINC000952113030	1011239635	/nfs/dbraw/zinc/23/96/35/1011239635.db2.gz	WYDBUWUQTHXSCN-KBAYOESNSA-N	1	0	361.486	1.006	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@H]3[C@H]2CCCN3C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC000962930727	1011685843	/nfs/dbraw/zinc/68/58/43/1011685843.db2.gz	JODXCWHQAMFWQE-UWIFEVILSA-N	1	0	369.469	1.432	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC000963150853	1011918145	/nfs/dbraw/zinc/91/81/45/1011918145.db2.gz	GPVCHMUSWQUVAO-WCZJQEMASA-N	1	0	369.469	1.432	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3C(=O)C#CC2CC2)CC[N@@H+]1C	ZINC000963160167	1011941594	/nfs/dbraw/zinc/94/15/94/1011941594.db2.gz	YRIIZVQPYJUATH-MANSERQUSA-N	1	0	357.498	1.722	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+](CC(=O)NC)C2)CC1	ZINC000961411856	1012348817	/nfs/dbraw/zinc/34/88/17/1012348817.db2.gz	PKUFQYOXFHWWRW-KURKYZTESA-N	1	0	363.502	1.274	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C2CCN(C(=O)C#CC3CC3)CC2)CC[N@@H+]1C	ZINC000953469308	1012366648	/nfs/dbraw/zinc/36/66/48/1012366648.db2.gz	ZZTSUVNDSXRALW-AHRSYUTCSA-N	1	0	371.525	1.970	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCN1C(=O)C(C)C)C2	ZINC001111421070	1012498337	/nfs/dbraw/zinc/49/83/37/1012498337.db2.gz	HTDKFJOLUKOJGU-BDXSIMOUSA-N	1	0	363.502	1.558	20	30		FDEDRO
C=CCN1CC[C@H](N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)C1=O	ZINC000649751110	1012518622	/nfs/dbraw/zinc/51/86/22/1012518622.db2.gz	DWYMRWULONQNLA-SLFFLAALSA-N	1	0	355.482	1.749	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]2C1	ZINC000961655539	1012706216	/nfs/dbraw/zinc/70/62/16/1012706216.db2.gz	SGXQQHWGHYYOCH-ADHGMGHFSA-N	1	0	363.502	1.225	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]2C1	ZINC000961661377	1012713876	/nfs/dbraw/zinc/71/38/76/1012713876.db2.gz	VTOYNLIJZCDHPK-WKULXVSPSA-N	1	0	363.502	1.225	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1OCC[C@H]1C	ZINC000961810227	1012873493	/nfs/dbraw/zinc/87/34/93/1012873493.db2.gz	SOXDKMZYRCVQCP-DPFUCDOTSA-N	1	0	355.438	1.538	20	30		FDEDRO
CC[NH+]=C(NCc1cccc(-n2cncn2)c1)N1CCN(C2CC2)C(=O)C1	ZINC000088278436	1012935525	/nfs/dbraw/zinc/93/55/25/1012935525.db2.gz	BYQLJNMXLSDLJC-UHFFFAOYSA-N	1	0	367.457	1.039	20	30		FDEDRO
N#CCCn1cc(C[NH2+]C[C@H]2CS(=O)(=O)CCO2)c(-c2ccccc2)n1	ZINC000507832434	538923343	/nfs/dbraw/zinc/92/33/43/538923343.db2.gz	BIZQWAQZJOZJRC-KRWDZBQOSA-N	1	0	374.466	1.367	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1	ZINC000193023488	178143534	/nfs/dbraw/zinc/14/35/34/178143534.db2.gz	OTFLKHSFUYXKMT-UHFFFAOYSA-N	1	0	365.437	1.791	20	30		FDEDRO
CC[C@@H]1CN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1C[C@@H](C)O	ZINC000245523516	178363775	/nfs/dbraw/zinc/36/37/75/178363775.db2.gz	MWXOCSZADUKDOE-POAQFYNOSA-N	1	0	370.497	1.831	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+]C[C@@H]3C[C@@H](O)CN3Cc3ccccc3)n2c1	ZINC000245623486	178371702	/nfs/dbraw/zinc/37/17/02/178371702.db2.gz	PDJDIQDTWCLJJC-AZUAARDMSA-N	1	0	361.449	1.931	20	30		FDEDRO
C[C@@H]([NH2+]CCN1CCN(c2ncccn2)CC1)c1ccc(C#N)cc1F	ZINC000512643581	538978387	/nfs/dbraw/zinc/97/83/87/538978387.db2.gz	XQYQTJBUHOBZSB-OAHLLOKOSA-N	1	0	354.433	1.960	20	30		FDEDRO
COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1	ZINC000513393761	538994695	/nfs/dbraw/zinc/99/46/95/538994695.db2.gz	DHKWHPMLVFTJHY-ZBFHGGJFSA-N	1	0	358.442	1.360	20	30		FDEDRO
CN(CC[N@H+](C)Cc1ccc(C#N)cn1)c1ccc(S(N)(=O)=O)cc1	ZINC000517584351	539372464	/nfs/dbraw/zinc/37/24/64/539372464.db2.gz	RYGBGFCQMBVHRA-UHFFFAOYSA-N	1	0	359.455	1.169	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)CC1	ZINC000521572256	539518182	/nfs/dbraw/zinc/51/81/82/539518182.db2.gz	QUGLYKMAELAFDD-UHFFFAOYSA-N	1	0	352.438	1.723	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000522010456	539531838	/nfs/dbraw/zinc/53/18/38/539531838.db2.gz	RNGIJMQCHLVRTJ-IUODEOHRSA-N	1	0	370.375	1.278	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CCNS(=O)(=O)c2ccc(C#N)nc2)cc1	ZINC000264227675	179054047	/nfs/dbraw/zinc/05/40/47/179054047.db2.gz	XJZLEZLCOSBIHC-UHFFFAOYSA-N	1	0	374.466	1.415	20	30		FDEDRO
N#Cc1ccc(CNC(=O)CN(CCO)CCOCC(F)(F)F)cc1	ZINC000264900580	179233782	/nfs/dbraw/zinc/23/37/82/179233782.db2.gz	UWZADLVLYVHZAT-UHFFFAOYSA-N	1	0	359.348	1.048	20	30		FDEDRO
C[NH+]1CCN(C[C@H](NC(=O)Cc2ccc(C#N)nc2)c2ccccc2)CC1	ZINC000528396278	539756127	/nfs/dbraw/zinc/75/61/27/539756127.db2.gz	NFQRTCOXSNBOTR-FQEVSTJZSA-N	1	0	363.465	1.601	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1	ZINC000528515345	539765534	/nfs/dbraw/zinc/76/55/34/539765534.db2.gz	DWVCVIWGVBJBSA-GPMSIDNRSA-N	1	0	368.433	1.148	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1C#N	ZINC000269372894	180286938	/nfs/dbraw/zinc/28/69/38/180286938.db2.gz	JGCWLDRKFUZFTG-GUYCJALGSA-N	1	0	370.453	1.883	20	30		FDEDRO
C[NH+](C)CCN1CCC(NC(=O)NC2(c3cccc(C#N)c3)CC2)CC1	ZINC000269700390	180365116	/nfs/dbraw/zinc/36/51/16/180365116.db2.gz	PQWXIHNWKHSKHF-UHFFFAOYSA-N	1	0	355.486	1.873	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]C1CCN(Cc2ccccn2)CC1	ZINC000530232373	539916433	/nfs/dbraw/zinc/91/64/33/539916433.db2.gz	ZDHXTPJATMGAAP-FQEVSTJZSA-N	1	0	366.465	1.947	20	30		FDEDRO
Cn1ccnc1[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2C#N)CCO1	ZINC000530234127	539916503	/nfs/dbraw/zinc/91/65/03/539916503.db2.gz	NTZVCXSZSATPSX-BQFCYCMXSA-N	1	0	356.426	1.541	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCCN(c2ncccn2)C1	ZINC000530229978	539914467	/nfs/dbraw/zinc/91/44/67/539914467.db2.gz	CDRBPQQSSFOJHK-IRXDYDNUSA-N	1	0	353.426	1.347	20	30		FDEDRO
COc1ccc2c(c1)OC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)C2	ZINC000530231173	539915831	/nfs/dbraw/zinc/91/58/31/539915831.db2.gz	FMEKEVAXEIIGQH-DLBZAZTESA-N	1	0	354.406	1.900	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(c2cccc(C#N)n2)CC1	ZINC000546895003	542253759	/nfs/dbraw/zinc/25/37/59/542253759.db2.gz	JKODPKDSOPPCFV-PBHICJAKSA-N	1	0	354.458	1.268	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)CN1CCC([N@@H+](C)C[C@H](C)O)CC1	ZINC000533411899	540243718	/nfs/dbraw/zinc/24/37/18/540243718.db2.gz	CQAICVXZAJUIPC-FXAWDEMLSA-N	1	0	362.514	1.932	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)n(CCC#N)n1	ZINC000533455834	540249949	/nfs/dbraw/zinc/24/99/49/540249949.db2.gz	JBRVAXXEASSEKA-ZFWWWQNUSA-N	1	0	360.462	1.280	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CN2Cc3ccccc3C2=O)c1C#N	ZINC000534057021	540319211	/nfs/dbraw/zinc/31/92/11/540319211.db2.gz	ROBNRNRTZNKDQH-UHFFFAOYSA-N	1	0	352.398	1.028	20	30		FDEDRO
COCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2cccc(C(=O)OC)c2C#N)C1	ZINC000534487140	540372454	/nfs/dbraw/zinc/37/24/54/540372454.db2.gz	NUYAOGUQONGBEX-GDBMZVCRSA-N	1	0	373.453	1.708	20	30		FDEDRO
Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H](C)n1cnc(C#N)n1	ZINC000538404695	540853966	/nfs/dbraw/zinc/85/39/66/540853966.db2.gz	OCIYPXJVVXDEAH-AWEZNQCLSA-N	1	0	353.430	1.410	20	30		FDEDRO
CC[NH+]1CCN(CC(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)CC1	ZINC000539885237	541003886	/nfs/dbraw/zinc/00/38/86/541003886.db2.gz	GPTLMQSKBNWIOM-UHFFFAOYSA-N	1	0	352.442	1.202	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)[C@H](C[NH2+]Cc2ccc(C#N)s2)C1	ZINC001087198436	781941629	/nfs/dbraw/zinc/94/16/29/781941629.db2.gz	MBACIAVYVRALPM-WWGRRREGSA-N	1	0	360.483	1.473	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000540978757	541129278	/nfs/dbraw/zinc/12/92/78/541129278.db2.gz	LDAODSJHDMWTPV-UHFFFAOYSA-N	1	0	374.420	1.973	20	30		FDEDRO
C[C@@H](C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)n1cnc(C#N)n1	ZINC000541795039	541267070	/nfs/dbraw/zinc/26/70/70/541267070.db2.gz	RQJZEGUIKDNTAI-OAGGEKHMSA-N	1	0	366.469	1.984	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1	ZINC000269265087	674108458	/nfs/dbraw/zinc/10/84/58/674108458.db2.gz	UJADPTALJXBHDN-XVCXAGHRSA-N	1	0	364.471	1.565	20	30		FDEDRO
CC[NH+](CC)CCOCCNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000543529174	541605933	/nfs/dbraw/zinc/60/59/33/541605933.db2.gz	HGSSURXDUXNQBL-UHFFFAOYSA-N	1	0	366.849	1.625	20	30		FDEDRO
C[C@@H](C#N)CNC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1	ZINC000543805666	541664825	/nfs/dbraw/zinc/66/48/25/541664825.db2.gz	SGAKJGIGXGOHBW-INIZCTEOSA-N	1	0	359.474	1.618	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCC(CCCO)CC2)CC1	ZINC000543913900	541682687	/nfs/dbraw/zinc/68/26/87/541682687.db2.gz	JUUILCXCXHQQOA-SFHVURJKSA-N	1	0	350.507	1.163	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)n(CCC#N)n1	ZINC000544228284	541736634	/nfs/dbraw/zinc/73/66/34/541736634.db2.gz	TZSGUORFPYZLQY-OAHLLOKOSA-N	1	0	360.462	1.424	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1cnn(C)c1	ZINC000544469539	541772346	/nfs/dbraw/zinc/77/23/46/541772346.db2.gz	UQJUOJZMUBFOGS-GDBMZVCRSA-N	1	0	372.498	1.541	20	30		FDEDRO
C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2cccc(C#N)c2)C1	ZINC000283936034	182321346	/nfs/dbraw/zinc/32/13/46/182321346.db2.gz	JTNNODLFWAPBOX-OAHLLOKOSA-N	1	0	356.470	1.801	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)c1ccc(C#N)cc1	ZINC000284096545	182364622	/nfs/dbraw/zinc/36/46/22/182364622.db2.gz	TULNOLJUMNODGO-AWEZNQCLSA-N	1	0	354.454	1.726	20	30		FDEDRO
C[N@@H+]1CC[C@](O)(CNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1	ZINC000545883085	542037003	/nfs/dbraw/zinc/03/70/03/542037003.db2.gz	IPLKDVHDWTWVPD-UHYCVJNDSA-N	1	0	372.469	1.614	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1	ZINC000545906025	542045993	/nfs/dbraw/zinc/04/59/93/542045993.db2.gz	PJEDDHGNRBLONC-MRXNPFEDSA-N	1	0	367.457	2.253	20	30		FDEDRO
CCC(CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1OC)[NH+](C)C	ZINC000546003361	542072637	/nfs/dbraw/zinc/07/26/37/542072637.db2.gz	YBEUDVCHGNYLSX-MRXNPFEDSA-N	1	0	360.458	1.988	20	30		FDEDRO
C[C@H](O)CN1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)[C@H](C)C1	ZINC000286165803	183002824	/nfs/dbraw/zinc/00/28/24/183002824.db2.gz	JVAQFDBICMHBOY-VYDXJSESSA-N	1	0	374.460	1.437	20	30		FDEDRO
CCc1nc(C)cc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1	ZINC000286320764	183039480	/nfs/dbraw/zinc/03/94/80/183039480.db2.gz	ZSUMITZNWFWGJT-UHFFFAOYSA-N	1	0	371.466	1.730	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1	ZINC000546712000	542206862	/nfs/dbraw/zinc/20/68/62/542206862.db2.gz	RTTMPRZVZVAANX-ZIAGYGMSSA-N	1	0	358.442	1.742	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NCCn1cnc(C#N)n1	ZINC000287696297	183358898	/nfs/dbraw/zinc/35/88/98/183358898.db2.gz	AVTRAWQVZJWVQY-UHFFFAOYSA-N	1	0	359.409	1.062	20	30		FDEDRO
CC[NH+]1CCC(CCNC(=O)C(=O)N(C)Cc2cccc(C#N)c2)CC1	ZINC000287758818	183377096	/nfs/dbraw/zinc/37/70/96/183377096.db2.gz	MCIFWUANMNPSTF-UHFFFAOYSA-N	1	0	356.470	1.755	20	30		FDEDRO
CC1CC[NH+](CCNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1	ZINC000291612397	183800559	/nfs/dbraw/zinc/80/05/59/183800559.db2.gz	JQDFBGBDXNQAKH-KRWDZBQOSA-N	1	0	357.458	1.848	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(Br)cc3C#N)[C@@H]2C1	ZINC000295469965	184074827	/nfs/dbraw/zinc/07/48/27/184074827.db2.gz	LUQHLKCCPWIMQL-CABCVRRESA-N	1	0	364.243	1.866	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1	ZINC000297762584	184324290	/nfs/dbraw/zinc/32/42/90/184324290.db2.gz	IAWUIQHPTQRIBT-GOSISDBHSA-N	1	0	354.454	1.603	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1	ZINC000297852811	184342458	/nfs/dbraw/zinc/34/24/58/184342458.db2.gz	MNDGWPHOIFWTNJ-GOSISDBHSA-N	1	0	354.454	1.461	20	30		FDEDRO
CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)C(=O)N1CCC(C(N)=O)CC1	ZINC000297945122	184360174	/nfs/dbraw/zinc/36/01/74/184360174.db2.gz	SHBWCSSPXWUXAS-HNNXBMFYSA-N	1	0	356.470	1.883	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C	ZINC000547318624	542311213	/nfs/dbraw/zinc/31/12/13/542311213.db2.gz	CBIICSJILLBNED-KGLIPLIRSA-N	1	0	353.430	2.004	20	30		FDEDRO
CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(C#N)cc2OC)CC1	ZINC000547417584	542336112	/nfs/dbraw/zinc/33/61/12/542336112.db2.gz	SREZBPUNSLEFMG-UHFFFAOYSA-N	1	0	358.442	1.744	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)cc1Cl	ZINC000547980874	542508082	/nfs/dbraw/zinc/50/80/82/542508082.db2.gz	BCFIBXBAHGNXET-UHFFFAOYSA-N	1	0	363.845	1.511	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)C[C@@H]1CCCCO1	ZINC000170663267	258264431	/nfs/dbraw/zinc/26/44/31/258264431.db2.gz	ZBHKLRQTUIGMBK-SFHVURJKSA-N	1	0	365.499	1.821	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1	ZINC000172291213	258272348	/nfs/dbraw/zinc/27/23/48/258272348.db2.gz	IYNIBSXOQLOABZ-OAHLLOKOSA-N	1	0	358.442	1.694	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C	ZINC000548766347	542774128	/nfs/dbraw/zinc/77/41/28/542774128.db2.gz	PSAMDBNKRWRCOD-DOMZBBRYSA-N	1	0	358.895	1.869	20	30		FDEDRO
C[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)NCC[NH+]1CCCCC1	ZINC000549727744	542924815	/nfs/dbraw/zinc/92/48/15/542924815.db2.gz	XFPQHWNRZDEINH-MRXNPFEDSA-N	1	0	368.481	1.962	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)CC1	ZINC000549840166	542952438	/nfs/dbraw/zinc/95/24/38/542952438.db2.gz	WRVNKXFMNGRUQU-UHFFFAOYSA-N	1	0	359.426	1.188	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1	ZINC000549980738	542981113	/nfs/dbraw/zinc/98/11/13/542981113.db2.gz	YNUFMQOLWUEHOW-JKSUJKDBSA-N	1	0	351.491	1.465	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C2CC2)C(C)(C)CO)CC1	ZINC000550101672	543006984	/nfs/dbraw/zinc/00/69/84/543006984.db2.gz	RRMPPSQPFVRSKE-WMZOPIPTSA-N	1	0	350.507	1.065	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)C(C)C	ZINC000550632668	543138096	/nfs/dbraw/zinc/13/80/96/543138096.db2.gz	MSTISJHZZZAOAF-INIZCTEOSA-N	1	0	355.442	1.707	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]CCCc3nnc4n3CCCCC4)cnc12	ZINC000550669418	543147776	/nfs/dbraw/zinc/14/77/76/543147776.db2.gz	QJSXVFOFCBYFLM-UHFFFAOYSA-N	1	0	350.430	1.641	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NC1C[C@@H](C)O[C@H](C)C1)C(C)C	ZINC000550834782	543184070	/nfs/dbraw/zinc/18/40/70/543184070.db2.gz	OEUIMVKPTCFBLS-JFIYKMOQSA-N	1	0	365.518	1.873	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1CNCc1cnc2c(C#N)cnn2c1	ZINC000551220038	543253841	/nfs/dbraw/zinc/25/38/41/543253841.db2.gz	HCDUBPPSQXBBQJ-UHFFFAOYSA-N	1	0	350.426	1.831	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@@H](C)O[C@@H](CC)C1)C(C)C	ZINC000551219111	543253998	/nfs/dbraw/zinc/25/39/98/543253998.db2.gz	QMEVPJHZVBWYJC-FGTMMUONSA-N	1	0	365.518	1.827	20	30		FDEDRO
C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)C[C@@H](C)C1	ZINC000551372345	543276130	/nfs/dbraw/zinc/27/61/30/543276130.db2.gz	NLCPRRNGVLLXQG-AHIWAGSCSA-N	1	0	358.417	1.825	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1	ZINC000551692052	543323378	/nfs/dbraw/zinc/32/33/78/543323378.db2.gz	AFSGCXQRWIGXQA-JJRVBVJISA-N	1	0	370.453	1.694	20	30		FDEDRO
N#Cc1ccc(OCC[N@H+]2CCCN(CC(=O)N3CCCC3)CC2)cc1	ZINC000073605307	172064078	/nfs/dbraw/zinc/06/40/78/172064078.db2.gz	RAFAGXIDYPNWSO-UHFFFAOYSA-N	1	0	356.470	1.567	20	30		FDEDRO
CCC(=O)N1CSC[C@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000076205025	172102429	/nfs/dbraw/zinc/10/24/29/172102429.db2.gz	FIDMXYKQCNBYMM-KRWDZBQOSA-N	1	0	374.510	1.760	20	30		FDEDRO
C[C@@H](CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)N1CC[NH+](C)CC1	ZINC000078050133	172142138	/nfs/dbraw/zinc/14/21/38/172142138.db2.gz	XLKJEUDXNHYBSV-LBPRGKRZSA-N	1	0	356.879	1.126	20	30		FDEDRO
CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1	ZINC000091242368	172281512	/nfs/dbraw/zinc/28/15/12/172281512.db2.gz	ZQVOSKFEDOUDPR-AWEZNQCLSA-N	1	0	360.462	1.391	20	30		FDEDRO
N#Cc1cc(NC(=O)NCCCC[NH+]2CCC(C(N)=O)CC2)ccc1F	ZINC000102954569	172357182	/nfs/dbraw/zinc/35/71/82/172357182.db2.gz	OYGIDBRQXPFMCJ-UHFFFAOYSA-N	1	0	361.421	1.796	20	30		FDEDRO
C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)C[C@H](O)c1ccc(C#N)cc1	ZINC000126006834	173025985	/nfs/dbraw/zinc/02/59/85/173025985.db2.gz	PVRRDMWFPNBYGI-UGSOOPFHSA-N	1	0	359.451	1.932	20	30		FDEDRO
C[C@H]1C[C@@H](CNc2c(C#N)c(=O)n(C)c(=O)n2C)C[N@@H+]1Cc1ccccc1	ZINC000128312902	173106169	/nfs/dbraw/zinc/10/61/69/173106169.db2.gz	GAKWJVIYMRMBEV-HOCLYGCPSA-N	1	0	367.453	1.278	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1	ZINC000132357302	173229864	/nfs/dbraw/zinc/22/98/64/173229864.db2.gz	DTYSMTAKOMBVJG-GOSISDBHSA-N	1	0	354.454	1.765	20	30		FDEDRO
CC[C@@H]1CN(CC(=O)Nc2sc(C)c(C)c2C#N)CC[N@@H+]1C[C@@H](C)O	ZINC000177130151	174108017	/nfs/dbraw/zinc/10/80/17/174108017.db2.gz	NMEAOPUJJHKFGE-IUODEOHRSA-N	1	0	364.515	1.952	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1	ZINC000178456720	174188977	/nfs/dbraw/zinc/18/89/77/174188977.db2.gz	UZPQZKGFVJMDED-WBVHZDCISA-N	1	0	370.453	1.838	20	30		FDEDRO
N#Cc1cc(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)c[nH]1	ZINC000181311464	174216778	/nfs/dbraw/zinc/21/67/78/174216778.db2.gz	UPUYQYBDIREHIX-AWEZNQCLSA-N	1	0	351.410	1.836	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Br)c(F)c1	ZINC000293214720	676337942	/nfs/dbraw/zinc/33/79/42/676337942.db2.gz	BJJKTIYNLMQKSK-UHFFFAOYSA-N	1	0	370.222	1.598	20	30		FDEDRO
N#Cc1cccnc1-n1cc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cn1	ZINC000184600559	258382424	/nfs/dbraw/zinc/38/24/24/258382424.db2.gz	MHMBWJUPQAUKOK-MRXNPFEDSA-N	1	0	351.414	1.841	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@]2(CO)CC(C)C)CC1	ZINC000553395571	543625691	/nfs/dbraw/zinc/62/56/91/543625691.db2.gz	LXNMCDWFTJQIFQ-FQEVSTJZSA-N	1	0	365.518	1.543	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1	ZINC000553992379	543729966	/nfs/dbraw/zinc/72/99/66/543729966.db2.gz	YCMJKBKUZRHRAX-GOSISDBHSA-N	1	0	371.481	1.954	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)n1	ZINC000554419117	543797201	/nfs/dbraw/zinc/79/72/01/543797201.db2.gz	LFRNYTSWFCVEID-UHFFFAOYSA-N	1	0	367.457	2.000	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccncc1OCC[NH+](C)C	ZINC000554783077	543870840	/nfs/dbraw/zinc/87/08/40/543870840.db2.gz	FGPWRIJSJAVFKY-OAHLLOKOSA-N	1	0	368.437	1.977	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1	ZINC000555922966	544055813	/nfs/dbraw/zinc/05/58/13/544055813.db2.gz	WXILDDMFSPSODR-DLBZAZTESA-N	1	0	352.523	1.236	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N3[C@@H]4CC[C@H]3CC[N@@H+](C)C4)CC2)o1	ZINC000556966703	544225903	/nfs/dbraw/zinc/22/59/03/544225903.db2.gz	SNDHZQHACXPFEG-JKSUJKDBSA-N	1	0	357.458	1.766	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1	ZINC000557745871	544340723	/nfs/dbraw/zinc/34/07/23/544340723.db2.gz	KFIVQJAQCNAALL-SFHVURJKSA-N	1	0	369.469	1.245	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCc3ccccc3CC2)CC1	ZINC000557767433	544344130	/nfs/dbraw/zinc/34/41/30/544344130.db2.gz	NCAMWLBUZXBHOW-UHFFFAOYSA-N	1	0	355.482	1.771	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNS(=O)(=O)Cc2ccc(C#N)cc2)CC1	ZINC000558091565	544383164	/nfs/dbraw/zinc/38/31/64/544383164.db2.gz	HRWBKDLWQIHIMX-OAHLLOKOSA-N	1	0	350.488	1.004	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000560413426	545001487	/nfs/dbraw/zinc/00/14/87/545001487.db2.gz	CJHMELHZGWJERK-OTWHNJEPSA-N	1	0	359.470	1.920	20	30		FDEDRO
CS[C@@H]1CN([C@H]2CCN(c3sccc3C#N)C2=O)C[C@H]1[NH+](C)C	ZINC000299728027	259019521	/nfs/dbraw/zinc/01/95/21/259019521.db2.gz	VPNCMVSTZQRQQA-BFHYXJOUSA-N	1	0	350.513	1.702	20	30		FDEDRO
C[NH+](C)[C@@H](CNc1ccc(S(N)(=O)=O)cc1C#N)Cc1ccccc1	ZINC000301171288	259022415	/nfs/dbraw/zinc/02/24/15/259022415.db2.gz	GLTMWMLMDIMNOR-MRXNPFEDSA-N	1	0	358.467	1.790	20	30		FDEDRO
CCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)c(C#N)c1CC	ZINC000301624679	259030443	/nfs/dbraw/zinc/03/04/43/259030443.db2.gz	PGFZCTVNAUEWLD-UHFFFAOYSA-N	1	0	356.474	1.217	20	30		FDEDRO
C[NH+](C)CCC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1	ZINC000330873460	259166760	/nfs/dbraw/zinc/16/67/60/259166760.db2.gz	YWCSMYADPUULGZ-UHFFFAOYSA-N	1	0	366.443	1.819	20	30		FDEDRO
CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000331273756	259184661	/nfs/dbraw/zinc/18/46/61/259184661.db2.gz	MVNJKQKGKLQQNE-UHFFFAOYSA-N	1	0	370.906	1.470	20	30		FDEDRO
C[C@@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)N1CC[NH+](C)CC1	ZINC000331285369	259185763	/nfs/dbraw/zinc/18/57/63/259185763.db2.gz	SZQAYAXQHIXBBZ-LBPRGKRZSA-N	1	0	356.879	1.126	20	30		FDEDRO
Cc1nc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)ccc1C#N	ZINC000331732948	259216477	/nfs/dbraw/zinc/21/64/77/259216477.db2.gz	RAELHCPNPBMZNS-MAUKXSAKSA-N	1	0	352.442	1.808	20	30		FDEDRO
C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](C)C[NH2+]1	ZINC000331858262	259224884	/nfs/dbraw/zinc/22/48/84/259224884.db2.gz	NDPZRTPMDMGHRS-CPUCHLNUSA-N	1	0	355.442	1.445	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000332096931	259241293	/nfs/dbraw/zinc/24/12/93/259241293.db2.gz	PUXMXSZEQBVCBX-LRDDRELGSA-N	1	0	354.458	1.749	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1	ZINC000333559489	259359137	/nfs/dbraw/zinc/35/91/37/259359137.db2.gz	WCTFNVQDFKWDIC-NVXWUHKLSA-N	1	0	370.453	1.138	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CC[C@]4(CC[NH2+]C4)C3)C2=O)cc1	ZINC000333579041	259360734	/nfs/dbraw/zinc/36/07/34/259360734.db2.gz	NLBCPZMGBHYJOT-XLIONFOSSA-N	1	0	367.453	1.054	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C[C@@H]21	ZINC000333651650	259366961	/nfs/dbraw/zinc/36/69/61/259366961.db2.gz	UYJNJTXBTVNSFK-NXHRZFHOSA-N	1	0	367.453	1.399	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1C#N	ZINC000333732426	259375842	/nfs/dbraw/zinc/37/58/42/259375842.db2.gz	WIHJGHIDLMCTTK-WMZOPIPTSA-N	1	0	363.483	1.774	20	30		FDEDRO
N#Cc1ccc(OC2CCC(NC(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)nc1	ZINC000333780842	259380615	/nfs/dbraw/zinc/38/06/15/259380615.db2.gz	KUUVLFJHTRXZGI-KNXWPPODSA-N	1	0	369.469	1.894	20	30		FDEDRO
N#Cc1ccc(OC2CCC(NC(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)nc1	ZINC000333780844	259380643	/nfs/dbraw/zinc/38/06/43/259380643.db2.gz	KUUVLFJHTRXZGI-VEZWFGLTSA-N	1	0	369.469	1.894	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)c1	ZINC000333909673	259392657	/nfs/dbraw/zinc/39/26/57/259392657.db2.gz	KYCQJMNDRASTOG-YESZJQIVSA-N	1	0	354.458	1.173	20	30		FDEDRO
C[C@@H]1CN(C(=O)COc2ccccc2C#N)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000361202503	259453195	/nfs/dbraw/zinc/45/31/95/259453195.db2.gz	QTVHUUSDIVTNBL-AEFFLSMTSA-N	1	0	356.470	1.421	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000363390549	259586792	/nfs/dbraw/zinc/58/67/92/259586792.db2.gz	UTIIJJXHIJWAHI-RTBURBONSA-N	1	0	372.469	1.579	20	30		FDEDRO
Cn1cc(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)cc1C#N	ZINC000367205694	260010014	/nfs/dbraw/zinc/01/00/14/260010014.db2.gz	LAVPRXVKNQVAEB-CYBMUJFWSA-N	1	0	364.496	1.759	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H]3CCCS(=O)(=O)C3)C2)c(F)c1	ZINC000367748482	260085419	/nfs/dbraw/zinc/08/54/19/260085419.db2.gz	IALPOBKQLAKCOG-HUUCEWRRSA-N	1	0	351.447	1.833	20	30		FDEDRO
CC(C)(O)C[N@@H+]1CCCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1	ZINC000368424501	260181343	/nfs/dbraw/zinc/18/13/43/260181343.db2.gz	KTMKXBLDWQQNQM-UHFFFAOYSA-N	1	0	371.890	1.679	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)C[C@@H]21	ZINC000368592611	260206778	/nfs/dbraw/zinc/20/67/78/260206778.db2.gz	QQCQSZIJSBNJLI-DYVFJYSZSA-N	1	0	350.426	1.492	20	30		FDEDRO
Cn1c(NC2CC[NH+](Cc3cccs3)CC2)c(C#N)c(=O)n(C)c1=O	ZINC000368806408	260239596	/nfs/dbraw/zinc/23/95/96/260239596.db2.gz	RILLRBZOSBALNY-UHFFFAOYSA-N	1	0	359.455	1.094	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@@H]1CCO[C@@H]1C1CC1	ZINC000368904263	260257960	/nfs/dbraw/zinc/25/79/60/260257960.db2.gz	JATXASJBRRITSQ-SJLPKXTDSA-N	1	0	351.410	1.840	20	30		FDEDRO
C[C@H](CO)[N@@H+]1CCCN([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000368972547	260269685	/nfs/dbraw/zinc/26/96/85/260269685.db2.gz	FUAKXNFJJZOCFR-KGLIPLIRSA-N	1	0	364.877	1.927	20	30		FDEDRO
N#Cc1cccc(/C=C/C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1	ZINC000369061081	260288608	/nfs/dbraw/zinc/28/86/08/260288608.db2.gz	DRUJXZHPKPYIGP-DKFQHHCZSA-N	1	0	352.438	1.512	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1CCCCC(=O)N1	ZINC000369159024	260305003	/nfs/dbraw/zinc/30/50/03/260305003.db2.gz	WDGUCDNYSIQLMW-SFHVURJKSA-N	1	0	356.470	1.897	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000369372596	260351854	/nfs/dbraw/zinc/35/18/54/260351854.db2.gz	KEUWRISUPKVWFV-SFHVURJKSA-N	1	0	355.486	1.868	20	30		FDEDRO
N#Cc1ncn(C2CC[NH+](C[C@H](O)COc3cccc4[nH]ccc43)CC2)n1	ZINC000369608401	260399707	/nfs/dbraw/zinc/39/97/07/260399707.db2.gz	FQQRSDMPJFAJDP-HNNXBMFYSA-N	1	0	366.425	1.708	20	30		FDEDRO
COc1ccccc1COC[C@H](O)C[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000369729194	260420789	/nfs/dbraw/zinc/42/07/89/260420789.db2.gz	ICFUPHHHWREZNQ-QGZVFWFLSA-N	1	0	371.441	1.373	20	30		FDEDRO
C[C@H]1CCC[N@H+](CCNC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1	ZINC000373701656	261032586	/nfs/dbraw/zinc/03/25/86/261032586.db2.gz	SXSXZZFIQJJOIZ-LPHOPBHVSA-N	1	0	368.481	1.897	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](CNC(=O)NCCn2cnc(C#N)n2)[C@H]1c1cccs1	ZINC000376511903	261584126	/nfs/dbraw/zinc/58/41/26/261584126.db2.gz	PHYKNSUQQUKZRB-BBRMVZONSA-N	1	0	373.486	1.594	20	30		FDEDRO
Cn1cc(C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)c(-c2ccc(C#N)cc2)n1	ZINC000378495368	262038292	/nfs/dbraw/zinc/03/82/92/262038292.db2.gz	KOIDLAQRVMKWKI-GOSISDBHSA-N	1	0	364.453	1.948	20	30		FDEDRO
CC1CC[NH+](C[C@H](O)CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1	ZINC000409671304	262132908	/nfs/dbraw/zinc/13/29/08/262132908.db2.gz	KPSAMFGOOKZRAI-GOSISDBHSA-N	1	0	367.453	1.567	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)n1cnc(C#N)n1	ZINC000409726226	262137101	/nfs/dbraw/zinc/13/71/01/262137101.db2.gz	UVWSBJOMOBKBAY-NSHDSACASA-N	1	0	362.821	1.943	20	30		FDEDRO
Cc1ccc(NC(=O)[C@@H](C)n2cnc(C#N)n2)cc1NC(=O)CC[NH+](C)C	ZINC000409923336	262145553	/nfs/dbraw/zinc/14/55/53/262145553.db2.gz	LJUYWTJRYSYMLP-CYBMUJFWSA-N	1	0	369.429	1.548	20	30		FDEDRO
CC[C@H]1CN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC[N@@H+]1Cc1ccccc1	ZINC000409927873	262145928	/nfs/dbraw/zinc/14/59/28/262145928.db2.gz	VGPPDVQPNRRXHQ-WBVHZDCISA-N	1	0	352.442	1.834	20	30		FDEDRO
C[C@H](C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)n1cnc(C#N)n1	ZINC000409951028	262147459	/nfs/dbraw/zinc/14/74/59/262147459.db2.gz	FQISNFAOKVEVEU-PBHICJAKSA-N	1	0	352.442	1.738	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@]2(C3CCCC3)CCNC2=O)c1C#N	ZINC000600815765	491884333	/nfs/dbraw/zinc/88/43/33/491884333.db2.gz	YIJCSJONDYSZKG-SFHVURJKSA-N	1	0	358.446	1.068	20	30		FDEDRO
CCC1([NH+](C)C)CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)CC1	ZINC000602063287	491959479	/nfs/dbraw/zinc/95/94/79/491959479.db2.gz	FPYPJCLKIUNQIR-UHFFFAOYSA-N	1	0	360.462	1.377	20	30		FDEDRO
C[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)c1cccc(C#N)c1	ZINC000610952126	492272186	/nfs/dbraw/zinc/27/21/86/492272186.db2.gz	SSOZJOPNRWUGNE-ZDUSSCGKSA-N	1	0	354.414	1.132	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cncc(-c3cnn(C)c3)c2)c1C#N	ZINC000611166455	492280218	/nfs/dbraw/zinc/28/02/18/492280218.db2.gz	XPQFEWMORUWJHN-UHFFFAOYSA-N	1	0	364.413	1.481	20	30		FDEDRO
N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000025910979	519089617	/nfs/dbraw/zinc/08/96/17/519089617.db2.gz	LUMYYHAOVXFAQR-UHFFFAOYSA-N	1	0	355.398	1.551	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(CC(=O)NCC(F)(F)F)CC2)cc1	ZINC000028961216	519260048	/nfs/dbraw/zinc/26/00/48/519260048.db2.gz	WIKWWYCHTBAGSC-UHFFFAOYSA-N	1	0	354.376	1.744	20	30		FDEDRO
CNC(=O)c1ccc(C[N@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)cc1	ZINC000030533834	519374374	/nfs/dbraw/zinc/37/43/74/519374374.db2.gz	GXGSQSNGXHBCMF-IBGZPJMESA-N	1	0	367.449	1.984	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c(C)nn(CCC#N)c1C	ZINC000069526705	521902932	/nfs/dbraw/zinc/90/29/32/521902932.db2.gz	CNSPZUYPAKQTMH-QGZVFWFLSA-N	1	0	361.490	1.573	20	30		FDEDRO
CNC(=O)c1ccn([C@H]2CCC[N@H+](CCOc3cccc(C#N)c3)C2)n1	ZINC000275521667	521922293	/nfs/dbraw/zinc/92/22/93/521922293.db2.gz	BNBYJWAMZNDMFJ-INIZCTEOSA-N	1	0	353.426	1.830	20	30		FDEDRO
CNC(=O)c1ccn([C@@H]2CCC[N@H+](CCOc3cccc(C#N)c3)C2)n1	ZINC000275521672	521923137	/nfs/dbraw/zinc/92/31/37/521923137.db2.gz	BNBYJWAMZNDMFJ-MRXNPFEDSA-N	1	0	353.426	1.830	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H](c2cccc(C)c2)N2CCOCC2)CC1	ZINC000057170964	522022851	/nfs/dbraw/zinc/02/28/51/522022851.db2.gz	IDWIBDNLDCXQTP-OAQYLSRUSA-N	1	0	369.509	1.830	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1	ZINC000057720876	522145032	/nfs/dbraw/zinc/14/50/32/522145032.db2.gz	OEROZOBOQJXUNW-CYBMUJFWSA-N	1	0	351.472	1.363	20	30		FDEDRO
CC1CCN(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1	ZINC000047281070	522488403	/nfs/dbraw/zinc/48/84/03/522488403.db2.gz	WIFVCIKXAXTLBP-UHFFFAOYSA-N	1	0	364.515	1.899	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@H](C)C[NH+]1CCCC1	ZINC000047920082	522621700	/nfs/dbraw/zinc/62/17/00/522621700.db2.gz	CBDBILRXMVDBKJ-AWEZNQCLSA-N	1	0	368.485	1.999	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2CN2CCOCC2)CC1	ZINC000074132526	522687856	/nfs/dbraw/zinc/68/78/56/522687856.db2.gz	SZSZINBMFSPFBT-GOSISDBHSA-N	1	0	350.507	1.533	20	30		FDEDRO
COc1cc(CC(=O)N(CCC#N)CCC[NH+](C)C)cc(OC)c1OC	ZINC000064361864	522707009	/nfs/dbraw/zinc/70/70/09/522707009.db2.gz	YAXCJNPOIAFKSV-UHFFFAOYSA-N	1	0	363.458	1.949	20	30		FDEDRO
COc1cccc([C@@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2)[NH+](C)C)c1	ZINC000048845194	522787294	/nfs/dbraw/zinc/78/72/94/522787294.db2.gz	HDPFEIRXPKQNJP-GOSISDBHSA-N	1	0	366.421	1.924	20	30		FDEDRO
CCc1cnc(CNC(=[NH+]C)N2CCN(C(=O)c3ccco3)CC2)s1	ZINC000074992504	522865618	/nfs/dbraw/zinc/86/56/18/522865618.db2.gz	CPAJWICUXKOFIJ-UHFFFAOYSA-N	1	0	361.471	1.832	20	30		FDEDRO
CCN(CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C[C@H](C)C#N	ZINC000049982463	522873558	/nfs/dbraw/zinc/87/35/58/522873558.db2.gz	CCXCOEJXPWGHGT-QGZVFWFLSA-N	1	0	350.507	1.619	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)CC1	ZINC000050026997	522878448	/nfs/dbraw/zinc/87/84/48/522878448.db2.gz	WGUWXZGUFTYSMP-UHFFFAOYSA-N	1	0	353.466	1.753	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000050143393	522888455	/nfs/dbraw/zinc/88/84/55/522888455.db2.gz	ZDHCWUHBQVBMOS-UHFFFAOYSA-N	1	0	358.442	1.931	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C	ZINC000050165257	522895993	/nfs/dbraw/zinc/89/59/93/522895993.db2.gz	GUGVXHZYXQWFRD-KGLIPLIRSA-N	1	0	358.442	1.884	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000050202735	522898892	/nfs/dbraw/zinc/89/88/92/522898892.db2.gz	MBEFOBRGRPASRE-QGZVFWFLSA-N	1	0	370.453	1.238	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1CN1CCCC1=O	ZINC000075661672	522952394	/nfs/dbraw/zinc/95/23/94/522952394.db2.gz	KFIHSPKVRVLOBY-CQSZACIVSA-N	1	0	358.442	1.299	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCn3ccccc3=O)CC2)cc1	ZINC000075862368	522983679	/nfs/dbraw/zinc/98/36/79/522983679.db2.gz	VFCCTERRQBJBDM-UHFFFAOYSA-N	1	0	364.449	1.845	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCCC[C@@H]1CN1CCOCC1	ZINC000075969017	523001944	/nfs/dbraw/zinc/00/19/44/523001944.db2.gz	PHJOBNMWFIFVNX-ZWKOTPCHSA-N	1	0	362.518	1.904	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)c1	ZINC000076314678	523074909	/nfs/dbraw/zinc/07/49/09/523074909.db2.gz	ARWVIKMMMSDWNB-FQEVSTJZSA-N	1	0	371.481	1.858	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1	ZINC000052159402	523129712	/nfs/dbraw/zinc/12/97/12/523129712.db2.gz	HPSWMMJSJFKMNA-HNNXBMFYSA-N	1	0	364.490	1.357	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C(=O)NCCC)c2)CC1	ZINC000076525910	523130117	/nfs/dbraw/zinc/13/01/17/523130117.db2.gz	YYBXCASOJRONHJ-UHFFFAOYSA-N	1	0	372.469	1.532	20	30		FDEDRO
CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1C#N	ZINC000076745413	523182057	/nfs/dbraw/zinc/18/20/57/523182057.db2.gz	JIKZHHFSPVJECK-HNNXBMFYSA-N	1	0	364.471	1.291	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1	ZINC000076980356	523225273	/nfs/dbraw/zinc/22/52/73/523225273.db2.gz	HSZJYVIEKBSDKY-KRWDZBQOSA-N	1	0	354.458	1.269	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](C)C)cc1	ZINC000052658087	523226796	/nfs/dbraw/zinc/22/67/96/523226796.db2.gz	HBXZSTZFOURLML-QGZVFWFLSA-N	1	0	374.485	1.633	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1	ZINC000053020404	523327916	/nfs/dbraw/zinc/32/79/16/523327916.db2.gz	HPNNCRXHEOKRLB-LBPRGKRZSA-N	1	0	363.845	1.834	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1	ZINC000067349217	523398007	/nfs/dbraw/zinc/39/80/07/523398007.db2.gz	FYARVAZPKXFFTR-CQSZACIVSA-N	1	0	356.426	1.496	20	30		FDEDRO
CC1CC[NH+](CCNC(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)CC1	ZINC000077698014	523420034	/nfs/dbraw/zinc/42/00/34/523420034.db2.gz	UZOVYAOGCDHQEH-UHFFFAOYSA-N	1	0	370.457	1.763	20	30		FDEDRO
CC(C)[C@H](CNC(=O)Nc1cccc(OCC#N)c1)[NH+]1CCN(C)CC1	ZINC000077748064	523445322	/nfs/dbraw/zinc/44/53/22/523445322.db2.gz	BODFIIFPYLRMJJ-SFHVURJKSA-N	1	0	359.474	1.982	20	30		FDEDRO
O=C(Nc1ncn(Cc2ccccc2)n1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1	ZINC000077760910	523451647	/nfs/dbraw/zinc/45/16/47/523451647.db2.gz	OJVUUDQSXCVTRH-MRXNPFEDSA-N	1	0	368.441	1.515	20	30		FDEDRO
CC(C)C[NH+]1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1	ZINC000067470243	523465100	/nfs/dbraw/zinc/46/51/00/523465100.db2.gz	ISTDPGRLDFCEOK-UHFFFAOYSA-N	1	0	370.501	1.905	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)cc1	ZINC000077821820	523477959	/nfs/dbraw/zinc/47/79/59/523477959.db2.gz	PFTJQYQDPIDAIT-UHFFFAOYSA-N	1	0	372.469	1.389	20	30		FDEDRO
COCC[NH+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1	ZINC000054429480	523638608	/nfs/dbraw/zinc/63/86/08/523638608.db2.gz	NUALLZFWVSUKDP-UHFFFAOYSA-N	1	0	362.499	1.701	20	30		FDEDRO
CC(C)c1nc(CON=C(N)c2ccccc2C[NH+]2CCC(O)CC2)no1	ZINC000068776695	523855754	/nfs/dbraw/zinc/85/57/54/523855754.db2.gz	DPFDYGRFZQUIKX-UHFFFAOYSA-N	1	0	373.457	1.987	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2cc(C#N)ccc2C)C1	ZINC000080795060	523907434	/nfs/dbraw/zinc/90/74/34/523907434.db2.gz	SXHQKWLJYJPLJW-KRWDZBQOSA-N	1	0	365.499	1.988	20	30		FDEDRO
CN(CC(=O)N[C@](C)(C#N)C1CC1)C1CC[NH+](CCc2ccccn2)CC1	ZINC000080968929	523924100	/nfs/dbraw/zinc/92/41/00/523924100.db2.gz	RNRCMZZCLPCXAM-OAQYLSRUSA-N	1	0	369.513	1.829	20	30		FDEDRO
CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000120922737	524097300	/nfs/dbraw/zinc/09/73/00/524097300.db2.gz	QPAKILUMKYWFTJ-UHFFFAOYSA-N	1	0	368.478	1.096	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CNS(=O)(=O)c2ccccc2C#N)cc1	ZINC000156579614	524105803	/nfs/dbraw/zinc/10/58/03/524105803.db2.gz	WNVDLVJDVDEOPE-UHFFFAOYSA-N	1	0	359.451	1.977	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000135383350	524135954	/nfs/dbraw/zinc/13/59/54/524135954.db2.gz	DOLZBZDNWREVOQ-GOSISDBHSA-N	1	0	366.469	1.919	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1	ZINC000121074534	524144856	/nfs/dbraw/zinc/14/48/56/524144856.db2.gz	YLDFSOGJAVIHDE-OAHLLOKOSA-N	1	0	354.458	1.269	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNS(=O)(=O)c2ccccc2C#N)CC1	ZINC000156801894	524151894	/nfs/dbraw/zinc/15/18/94/524151894.db2.gz	USSLUTNRQQLELU-UHFFFAOYSA-N	1	0	371.466	1.184	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CCN2CCN(c3cc[nH+]cc3)CC2)c1	ZINC000156851134	524162606	/nfs/dbraw/zinc/16/26/06/524162606.db2.gz	JQOXXFJMKSNSDV-UHFFFAOYSA-N	1	0	356.451	1.549	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(C(=O)NCC3CCN(CC#N)CC3)cc2)CC1	ZINC000081733841	524177516	/nfs/dbraw/zinc/17/75/16/524177516.db2.gz	OSGLZAFXAFVUMW-UHFFFAOYSA-N	1	0	369.513	1.794	20	30		FDEDRO
[NH2+]=C(NCC(=O)NCCc1ccccc1)N[C@H]1CCOc2ccccc21	ZINC000083034670	524234539	/nfs/dbraw/zinc/23/45/39/524234539.db2.gz	DTKODUXXAUEWGK-KRWDZBQOSA-N	1	0	352.438	1.773	20	30		FDEDRO
N#CCCCS(=O)(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000111328146	524261468	/nfs/dbraw/zinc/26/14/68/524261468.db2.gz	VMQFPVBOPAVXQM-UHFFFAOYSA-N	1	0	364.515	1.417	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)CC1	ZINC000084813790	524332007	/nfs/dbraw/zinc/33/20/07/524332007.db2.gz	LMMFYVWQTFMFKQ-UHFFFAOYSA-N	1	0	369.465	1.879	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CC[N@H+](CCC(F)(F)F)C[C@H](O)CO	ZINC000084867328	524336506	/nfs/dbraw/zinc/33/65/06/524336506.db2.gz	IKGSXVPENSSPAH-ZDUSSCGKSA-N	1	0	359.348	1.494	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2cn(-c3ccc(OC)cc3)nn2)CC1	ZINC000121714524	524338144	/nfs/dbraw/zinc/33/81/44/524338144.db2.gz	PJZURFQBYYDVLW-UHFFFAOYSA-N	1	0	353.426	1.237	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1	ZINC000173256138	524356966	/nfs/dbraw/zinc/35/69/66/524356966.db2.gz	HRCMZFAAOOSLJT-SFHVURJKSA-N	1	0	371.485	1.628	20	30		FDEDRO
C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)Nc2ccn(CCC#N)n2)C1	ZINC000086447069	524390548	/nfs/dbraw/zinc/39/05/48/524390548.db2.gz	OBYOHOXJQNCTIA-HNNXBMFYSA-N	1	0	360.462	1.364	20	30		FDEDRO
Cn1ncc2c1ncnc2N1CCN(CC#Cc2ccc(F)cc2)CC1	ZINC000121899887	524401231	/nfs/dbraw/zinc/40/12/31/524401231.db2.gz	NPLSNGUTTOZZGM-UHFFFAOYSA-N	1	0	350.401	1.676	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2ccc(C#N)cn2)cc1	ZINC000112294025	524448468	/nfs/dbraw/zinc/44/84/68/524448468.db2.gz	HRXBGXUDGMHSBW-UHFFFAOYSA-N	1	0	351.410	1.175	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCCOc2ccc(C#N)cc2)C1	ZINC000173796366	524458149	/nfs/dbraw/zinc/45/81/49/524458149.db2.gz	YFVRKUJFVBJWLI-GOSISDBHSA-N	1	0	360.458	1.593	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cnn(CC(F)(F)F)c1	ZINC000122152811	524463581	/nfs/dbraw/zinc/46/35/81/524463581.db2.gz	INMVMFLUSQMHEH-UHFFFAOYSA-N	1	0	374.367	1.078	20	30		FDEDRO
COc1ccc(Cl)cc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000122168317	524468490	/nfs/dbraw/zinc/46/84/90/524468490.db2.gz	ZYBQDBJUXTZOFI-UHFFFAOYSA-N	1	0	366.849	1.981	20	30		FDEDRO
CCC[NH+]1CCC(N2CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC2)CC1	ZINC000112358373	524468695	/nfs/dbraw/zinc/46/86/95/524468695.db2.gz	DDJJEIGROPBJDS-FQEVSTJZSA-N	1	0	363.550	1.533	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c1	ZINC000173851705	524469393	/nfs/dbraw/zinc/46/93/93/524469393.db2.gz	XJICEJYTWFOHQM-UHFFFAOYSA-N	1	0	363.483	1.824	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCc3ccc(C#N)cc3)=[NH+]C[C@H]2C1	ZINC000089120408	524475857	/nfs/dbraw/zinc/47/58/57/524475857.db2.gz	BXGKOOROOYTQPM-INIZCTEOSA-N	1	0	355.442	1.939	20	30		FDEDRO
Cc1n[nH]cc1CCCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000089120308	524476127	/nfs/dbraw/zinc/47/61/27/524476127.db2.gz	ACHNAGSBZQBVBJ-OAHLLOKOSA-N	1	0	362.478	1.531	20	30		FDEDRO
CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2ccc(F)cc2C#N)CC1	ZINC000122257761	524492453	/nfs/dbraw/zinc/49/24/53/524492453.db2.gz	OVHHPXSDLDLRPI-CQSZACIVSA-N	1	0	368.478	1.249	20	30		FDEDRO
CC[NH+]=C(NCc1cccnc1OC)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158600406	524496810	/nfs/dbraw/zinc/49/68/10/524496810.db2.gz	UPOQJDIEEYVSPY-UHFFFAOYSA-N	1	0	354.476	1.065	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3c(c2)CCC(=O)N3C)c1C#N	ZINC000089674323	524518474	/nfs/dbraw/zinc/51/84/74/524518474.db2.gz	LARGZOSJZMLXGA-UHFFFAOYSA-N	1	0	366.425	1.595	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cnn(C)c2-n2cccc2)c1C#N	ZINC000089676062	524519611	/nfs/dbraw/zinc/51/96/11/524519611.db2.gz	LADITGNVVPAMHO-UHFFFAOYSA-N	1	0	352.402	1.210	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CCNC(=O)Cc2ccccc2)c1C#N	ZINC000089675912	524520493	/nfs/dbraw/zinc/52/04/93/524520493.db2.gz	CINXZRRFZJREJN-UHFFFAOYSA-N	1	0	368.441	1.121	20	30		FDEDRO
C[NH+]1CCN(c2cc(C(=O)NCCOc3ccc(C#N)cc3)ccn2)CC1	ZINC000174155412	524521578	/nfs/dbraw/zinc/52/15/78/524521578.db2.gz	UIWZMWOQUABZMI-UHFFFAOYSA-N	1	0	365.437	1.514	20	30		FDEDRO
O=C(C#Cc1ccc2c(c1)OCO2)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000122431489	524535066	/nfs/dbraw/zinc/53/50/66/524535066.db2.gz	WRSLNMHHCIQXMA-QZTJIDSGSA-N	1	0	370.449	1.651	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[N@H+](C[C@H]1CCCO1)[C@@H]1CCSC1	ZINC000089952203	524559637	/nfs/dbraw/zinc/55/96/37/524559637.db2.gz	FKZFDUJTWKWMDW-HZPDHXFCSA-N	1	0	350.488	1.629	20	30		FDEDRO
C=C(C)COCCNC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1	ZINC000151478800	524586040	/nfs/dbraw/zinc/58/60/40/524586040.db2.gz	RXBREFYTORPXIK-ROUUACIJSA-N	1	0	352.523	1.779	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNC(=O)COc2ccc(C#N)cc2OC)CC1	ZINC000112917561	524593198	/nfs/dbraw/zinc/59/31/98/524593198.db2.gz	DDCJHOYKEXDXDP-OAHLLOKOSA-N	1	0	360.458	1.088	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C[N@@H+](C)CC)C2)c1	ZINC000174527123	524616488	/nfs/dbraw/zinc/61/64/88/524616488.db2.gz	HCVNUMBBOMTMCH-OAHLLOKOSA-N	1	0	363.483	1.012	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)n1	ZINC000091191149	524653496	/nfs/dbraw/zinc/65/34/96/524653496.db2.gz	MAPWKFNFBBOFGF-UHFFFAOYSA-N	1	0	368.441	1.652	20	30		FDEDRO
C[NH+](C)CC1CCC(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1	ZINC000091250901	524682160	/nfs/dbraw/zinc/68/21/60/524682160.db2.gz	HVXPAMVRGIHIHT-UHFFFAOYSA-N	1	0	374.489	1.685	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c1C#N	ZINC000174814558	524747245	/nfs/dbraw/zinc/74/72/45/524747245.db2.gz	PFNZQYAWFMDQKE-OAHLLOKOSA-N	1	0	358.442	1.374	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)[N@H+](C)C1CC1	ZINC000123593754	524786039	/nfs/dbraw/zinc/78/60/39/524786039.db2.gz	XKLMCIPQWYALAL-ZIAGYGMSSA-N	1	0	357.462	1.051	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N1CCC(OCCC[NH+](C)C)CC1	ZINC000152183050	524805648	/nfs/dbraw/zinc/80/56/48/524805648.db2.gz	KLNZCXVPIANWED-UHFFFAOYSA-N	1	0	365.499	1.988	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)COCc1ccccc1	ZINC000114462098	524808568	/nfs/dbraw/zinc/80/85/68/524808568.db2.gz	RLEYSWOQWMPKJC-IMFGXOCKSA-N	1	0	361.486	1.939	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2ccc(OCCCC(=O)OC)cc2)CC1	ZINC000114652139	524847154	/nfs/dbraw/zinc/84/71/54/524847154.db2.gz	YWCPBQIBCCBKHJ-UHFFFAOYSA-N	1	0	372.465	1.980	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000152352479	524855118	/nfs/dbraw/zinc/85/51/18/524855118.db2.gz	DZUPFROIWTXJTN-UHFFFAOYSA-N	1	0	352.822	1.235	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1CCN(C(C)C)C1=O)C(C)C	ZINC000114823263	524881522	/nfs/dbraw/zinc/88/15/22/524881522.db2.gz	NZVLBFJSUKLMBY-SJORKVTESA-N	1	0	350.507	1.994	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@H]([NH+]3CCCC3)C2)CC1	ZINC000092617506	524901461	/nfs/dbraw/zinc/90/14/61/524901461.db2.gz	FJBMYRBSBRIKRG-RBUKOAKNSA-N	1	0	361.534	1.239	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNC(=O)Cc2ccc(OCC#N)cc2)ccn1	ZINC000124374636	524969973	/nfs/dbraw/zinc/96/99/73/524969973.db2.gz	JFJYENDIFQWTEF-UHFFFAOYSA-N	1	0	368.437	1.783	20	30		FDEDRO
C[NH+]=C(NCCN1C(=O)Cc2ccccc21)N1CC[C@H](c2cnn(C)c2)C1	ZINC000175576591	524979318	/nfs/dbraw/zinc/97/93/18/524979318.db2.gz	ZMLABBGTCOAQRU-INIZCTEOSA-N	1	0	366.469	1.374	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1	ZINC000115434707	524993809	/nfs/dbraw/zinc/99/38/09/524993809.db2.gz	SYRPNINRUMHRRG-MRXNPFEDSA-N	1	0	368.485	1.951	20	30		FDEDRO
CO/N=C/c1ccc(C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1	ZINC000152756444	524994962	/nfs/dbraw/zinc/99/49/62/524994962.db2.gz	XZPOMSSSKQLNDZ-HDAKKWKLSA-N	1	0	358.442	1.046	20	30		FDEDRO
N#Cc1ccc([C@@H]([NH2+]C[C@@H](c2cccs2)N2CCOCC2)C(N)=O)cc1	ZINC000115532017	525011065	/nfs/dbraw/zinc/01/10/65/525011065.db2.gz	RGQLXBLZLQDFFX-FUHWJXTLSA-N	1	0	370.478	1.809	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c1	ZINC000124558308	525017651	/nfs/dbraw/zinc/01/76/51/525017651.db2.gz	QTFSAAVLXKVXMK-ZBFHGGJFSA-N	1	0	351.472	1.398	20	30		FDEDRO
C[NH+](C)C1CCN(CCNS(=O)(=O)c2ccc(F)cc2C#N)CC1	ZINC000124980986	525117411	/nfs/dbraw/zinc/11/74/11/525117411.db2.gz	CBYHPQWPVLUZSN-UHFFFAOYSA-N	1	0	354.451	1.002	20	30		FDEDRO
C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153300032	525172065	/nfs/dbraw/zinc/17/20/65/525172065.db2.gz	QEQCEXYPNLCRTG-ZDUSSCGKSA-N	1	0	372.448	1.914	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2cccc(S(N)(=O)=O)c2C)CC1	ZINC000153333617	525180266	/nfs/dbraw/zinc/18/02/66/525180266.db2.gz	HNTCVHSBSCKUNB-UHFFFAOYSA-N	1	0	351.472	1.413	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)NCCCC[NH+]1CCC(C(N)=O)CC1	ZINC000097473251	525184368	/nfs/dbraw/zinc/18/43/68/525184368.db2.gz	YBIMGAKGBZLTEP-UHFFFAOYSA-N	1	0	361.421	1.796	20	30		FDEDRO
C=CCN1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1	ZINC000177055914	525229079	/nfs/dbraw/zinc/22/90/79/525229079.db2.gz	HAFXJNOPPJQLMG-UHFFFAOYSA-N	1	0	355.416	1.532	20	30		FDEDRO
C=CCn1c(SCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)n[nH]c1=O	ZINC000177100686	525235608	/nfs/dbraw/zinc/23/56/08/525235608.db2.gz	OKHFGUNITCXCNR-CQSZACIVSA-N	1	0	361.471	1.269	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1	ZINC000101675091	525246324	/nfs/dbraw/zinc/24/63/24/525246324.db2.gz	HLALUZFQGBNUKI-UHFFFAOYSA-N	1	0	373.476	1.374	20	30		FDEDRO
CCN(CCC#N)C(=O)CN1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1	ZINC000101920346	525260888	/nfs/dbraw/zinc/26/08/88/525260888.db2.gz	PWAWAEJZEHJLOQ-MRXNPFEDSA-N	1	0	361.421	1.784	20	30		FDEDRO
C#CCSCCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1	ZINC000126130086	525275846	/nfs/dbraw/zinc/27/58/46/525275846.db2.gz	KNUAVGGFMAJIIJ-SJPCQFCGSA-N	1	0	350.532	1.305	20	30		FDEDRO
C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1	ZINC000153703549	525293241	/nfs/dbraw/zinc/29/32/41/525293241.db2.gz	TUEHORATRLEZNY-OAHLLOKOSA-N	1	0	358.442	1.766	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)NCCCC[NH+]1CCC(C(N)=O)CC1	ZINC000178563838	525445066	/nfs/dbraw/zinc/44/50/66/525445066.db2.gz	RTRFFFGSQALOIS-UHFFFAOYSA-N	1	0	357.458	1.966	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H](Cc2ccccc2)n2nnnc2C)CC1	ZINC000118334507	525494986	/nfs/dbraw/zinc/49/49/86/525494986.db2.gz	GEJZXHCZFZVGPJ-LJQANCHMSA-N	1	0	368.485	1.922	20	30		FDEDRO
N#Cc1ccc(C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)[nH]1	ZINC000128108190	525505226	/nfs/dbraw/zinc/50/52/26/525505226.db2.gz	XQESEDMSGQUGMN-MRXNPFEDSA-N	1	0	365.437	1.514	20	30		FDEDRO
C=CCNc1ncc(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)s1	ZINC000128389582	525534905	/nfs/dbraw/zinc/53/49/05/525534905.db2.gz	AYFAYIPHOUFHMZ-CYBMUJFWSA-N	1	0	363.487	1.295	20	30		FDEDRO
CN(C1CC[NH+](CCc2ccccn2)CC1)S(=O)(=O)CC1(C#N)CC1	ZINC000165028124	525540747	/nfs/dbraw/zinc/54/07/47/525540747.db2.gz	DGFLSJGGLNSGEJ-UHFFFAOYSA-N	1	0	362.499	1.654	20	30		FDEDRO
CC[NH+]=C(NCc1ccoc1)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1	ZINC000179180977	525541450	/nfs/dbraw/zinc/54/14/50/525541450.db2.gz	PACIJKUVYQNLMY-INIZCTEOSA-N	1	0	361.490	1.374	20	30		FDEDRO
CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000128489722	525548537	/nfs/dbraw/zinc/54/85/37/525548537.db2.gz	WVZBSLLNMLKGSU-OAHLLOKOSA-N	1	0	360.462	1.362	20	30		FDEDRO
Cn1ccnc1CN1CCN(C(=O)CSCc2ccc(C#N)cc2)CC1	ZINC000106030229	525549818	/nfs/dbraw/zinc/54/98/18/525549818.db2.gz	BPERRYRNSQWUKK-UHFFFAOYSA-N	1	0	369.494	1.869	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H](Cc2cccc(OC)c2)NC(C)=O)CC1	ZINC000106034885	525554020	/nfs/dbraw/zinc/55/40/20/525554020.db2.gz	KGSHHWOJOXGZQB-HXUWFJFHSA-N	1	0	373.497	1.899	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCC[N@H+](C)C1	ZINC000118898401	525581368	/nfs/dbraw/zinc/58/13/68/525581368.db2.gz	GKRJGDOKRQQKQC-OAHLLOKOSA-N	1	0	358.442	1.742	20	30		FDEDRO
C[C@@H](O)C[N@@H+]1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H]1C	ZINC000106099555	525582237	/nfs/dbraw/zinc/58/22/37/525582237.db2.gz	FUMCMVLOQINDOG-CHWSQXEVSA-N	1	0	350.850	1.537	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1C#N	ZINC000119125915	525646332	/nfs/dbraw/zinc/64/63/32/525646332.db2.gz	KTZKEMKGJMQKKQ-INIZCTEOSA-N	1	0	358.442	1.837	20	30		FDEDRO
CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000180118721	525666514	/nfs/dbraw/zinc/66/65/14/525666514.db2.gz	UPAFSHBXAXGYSE-CYBMUJFWSA-N	1	0	359.879	1.847	20	30		FDEDRO
CC(C)CN(C(=O)CNC(=O)c1ccc(C#N)cc1)C1CC[NH+](C)CC1	ZINC000154922508	525685596	/nfs/dbraw/zinc/68/55/96/525685596.db2.gz	OVRVRVPOBYQFNY-UHFFFAOYSA-N	1	0	356.470	1.867	20	30		FDEDRO
CNC(=O)CCC[N@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000154958082	525695099	/nfs/dbraw/zinc/69/50/99/525695099.db2.gz	RXKROCNKBOUPTL-UHFFFAOYSA-N	1	0	369.387	1.631	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1	ZINC000106349574	525698892	/nfs/dbraw/zinc/69/88/92/525698892.db2.gz	DQUYTDFHFXSNCL-UHFFFAOYSA-N	1	0	360.414	1.998	20	30		FDEDRO
O=C(NCC[NH2+]C1CCN(CCc2ccccc2)CC1)C1N=CC=CC1=O	ZINC000180880031	525771178	/nfs/dbraw/zinc/77/11/78/525771178.db2.gz	JTJMHVBMFGKVNI-MRCUWXFGSA-N	1	0	368.481	1.810	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1	ZINC000181028390	525792663	/nfs/dbraw/zinc/79/26/63/525792663.db2.gz	IUBZGFURZRCQLR-UONOGXRCSA-N	1	0	366.487	1.253	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCCC[C@@H]2C(N)=O)c(OC)c1	ZINC000131060559	525822942	/nfs/dbraw/zinc/82/29/42/525822942.db2.gz	SCIYEMWEBRBLFK-ULQDDVLXSA-N	1	0	362.470	1.797	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](C)N1CC[NH+](C)CC1	ZINC000171132893	525863227	/nfs/dbraw/zinc/86/32/27/525863227.db2.gz	HIMDTUCSPABWDZ-LPHOPBHVSA-N	1	0	358.486	1.714	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)[C@H](C)C1	ZINC000119799412	525868312	/nfs/dbraw/zinc/86/83/12/525868312.db2.gz	ZANAIEUJOVUDGM-UKRRQHHQSA-N	1	0	360.462	1.463	20	30		FDEDRO
CC[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1cccc(S(N)(=O)=O)c1	ZINC000181741725	525913303	/nfs/dbraw/zinc/91/33/03/525913303.db2.gz	SMVAJFYBIIUJBK-MSOLQXFVSA-N	1	0	359.451	1.980	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1	ZINC000119964178	525921247	/nfs/dbraw/zinc/92/12/47/525921247.db2.gz	ICAFIQVTZPNCEQ-CQSZACIVSA-N	1	0	356.517	1.640	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000108277602	525945759	/nfs/dbraw/zinc/94/57/59/525945759.db2.gz	RJLYNKSMNGRGKR-CQSZACIVSA-N	1	0	364.833	1.377	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1	ZINC000155924490	526010632	/nfs/dbraw/zinc/01/06/32/526010632.db2.gz	JKFHPNFQPDWDNY-MAUKXSAKSA-N	1	0	352.438	1.972	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)CC1	ZINC000156012160	526034735	/nfs/dbraw/zinc/03/47/35/526034735.db2.gz	KXYCZPKXTTUHAL-MJGOQNOKSA-N	1	0	357.429	1.559	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H](C)N2C(=O)c3ccc(C)cc3C2=O)CC1	ZINC000171719914	526093788	/nfs/dbraw/zinc/09/37/88/526093788.db2.gz	RKLKNSHSCJGJCN-CQSZACIVSA-N	1	0	355.438	1.746	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CCn2cnc3c(C)cccc3c2=O)CC1	ZINC000171722211	526094495	/nfs/dbraw/zinc/09/44/95/526094495.db2.gz	HKWPPZYBLFJQMZ-UHFFFAOYSA-N	1	0	354.454	1.862	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H](CO)C(C)C	ZINC000156284332	526100620	/nfs/dbraw/zinc/10/06/20/526100620.db2.gz	RFYXQMCCSRCSSQ-MRXNPFEDSA-N	1	0	350.463	1.558	20	30		FDEDRO
C=CC[N@@H+](CCn1cnc2c1c(=O)n(C)c(=O)n2C)CC1CCCCC1	ZINC000182282625	526120701	/nfs/dbraw/zinc/12/07/01/526120701.db2.gz	QIQNDJAKRYAFMP-UHFFFAOYSA-N	1	0	359.474	1.502	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000109751287	526171889	/nfs/dbraw/zinc/17/18/89/526171889.db2.gz	ZVAJENYVINKOJL-HXUWFJFHSA-N	1	0	369.513	1.989	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)CC1	ZINC000182518758	526196283	/nfs/dbraw/zinc/19/62/83/526196283.db2.gz	UQWBLANALMPTIJ-GOSISDBHSA-N	1	0	371.485	1.917	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC#N)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1	ZINC000328630137	526242229	/nfs/dbraw/zinc/24/22/29/526242229.db2.gz	JBGWFRVMNDEFFJ-XYJFISCASA-N	1	0	360.506	1.495	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnsn2)C[C@H]1c1ccccc1	ZINC001211540488	782166936	/nfs/dbraw/zinc/16/69/36/782166936.db2.gz	VZHWRXCCAVHSKT-GOEBONIOSA-N	1	0	371.466	1.038	20	30		FDEDRO
CSCC[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000182862439	535877584	/nfs/dbraw/zinc/87/75/84/535877584.db2.gz	KNKRNSIMTVHSJW-KRWDZBQOSA-N	1	0	364.490	1.829	20	30		FDEDRO
C[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C[C@@H]1CCOC1	ZINC000183184494	535938606	/nfs/dbraw/zinc/93/86/06/535938606.db2.gz	PUJJBIYOLILJAW-LPHOPBHVSA-N	1	0	374.460	1.503	20	30		FDEDRO
C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1	ZINC000183201289	535941433	/nfs/dbraw/zinc/94/14/33/535941433.db2.gz	KXSGAKDTNDLLHC-INIZCTEOSA-N	1	0	374.485	1.209	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(n2cc(C(=O)OC)nn2)CC1	ZINC000183728364	536037468	/nfs/dbraw/zinc/03/74/68/536037468.db2.gz	RYBQNERVTMCIFR-AWEZNQCLSA-N	1	0	361.446	1.291	20	30		FDEDRO
CCN(CC1CC1)S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000183846869	536056763	/nfs/dbraw/zinc/05/67/63/536056763.db2.gz	COLGGNFGBMICJC-UHFFFAOYSA-N	1	0	364.515	1.899	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC3(CC2)[C@H](OCC)C[C@@H]3O)CC1	ZINC000185386312	536207147	/nfs/dbraw/zinc/20/71/47/536207147.db2.gz	RKQGBAWWVIHCGL-DLBZAZTESA-N	1	0	351.491	1.598	20	30		FDEDRO
C#C[C@@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000186092424	536225236	/nfs/dbraw/zinc/22/52/36/536225236.db2.gz	OWWWKTZTILRVEU-QZTJIDSGSA-N	1	0	355.486	1.647	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN([C@@H]2CCC[N@H+](CCCC#N)C2)C(=O)C1	ZINC000186463220	536234983	/nfs/dbraw/zinc/23/49/83/536234983.db2.gz	NOTSJUYAQOMKQR-OAHLLOKOSA-N	1	0	350.463	1.834	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)CC1(CO)CC1	ZINC000186795225	536244476	/nfs/dbraw/zinc/24/44/76/536244476.db2.gz	UTIFFHHVLNJYMZ-SFHVURJKSA-N	1	0	374.460	1.239	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C	ZINC000187465213	536267015	/nfs/dbraw/zinc/26/70/15/536267015.db2.gz	DWVBADWQVQRFKX-AWEZNQCLSA-N	1	0	372.391	1.910	20	30		FDEDRO
C[NH+]=C(NC[C@@]1(N(C)C)CCSC1)N1CCN(c2ccccn2)CC1	ZINC000262798667	536903916	/nfs/dbraw/zinc/90/39/16/536903916.db2.gz	QGMRQOMYDGGOTD-SFHVURJKSA-N	1	0	362.547	1.216	20	30		FDEDRO
C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000246238654	536907554	/nfs/dbraw/zinc/90/75/54/536907554.db2.gz	NSDHVWPTDSJRBO-LPYRORPOSA-N	1	0	354.454	1.623	20	30		FDEDRO
CC(C)[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1nc(-c2nc[nH]n2)no1	ZINC000188816767	536955215	/nfs/dbraw/zinc/95/52/15/536955215.db2.gz	XQSMVNNBJGUKOM-UONOGXRCSA-N	1	0	353.386	1.747	20	30		FDEDRO
C[NH+]=C(NC[C@]1(N2CCOCC2)CCSC1)N1CCc2ccccc21	ZINC000263242212	536999505	/nfs/dbraw/zinc/99/95/05/536999505.db2.gz	LMHDQCGLWOPAQF-LJQANCHMSA-N	1	0	360.527	1.832	20	30		FDEDRO
CC(C)C(=O)NC[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000263689299	537066366	/nfs/dbraw/zinc/06/63/66/537066366.db2.gz	GSRAEYANGWMIJV-MSOLQXFVSA-N	1	0	359.470	1.782	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)CC1	ZINC000264344872	537142181	/nfs/dbraw/zinc/14/21/81/537142181.db2.gz	JRLGFRLSKDELHK-UHFFFAOYSA-N	1	0	374.441	1.361	20	30		FDEDRO
C=CCNC(=O)c1ccc(N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)nc1	ZINC000264878484	537148929	/nfs/dbraw/zinc/14/89/29/537148929.db2.gz	QNPNLRKRQCVHEB-GOSISDBHSA-N	1	0	357.502	1.604	20	30		FDEDRO
C#CCCNC(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1	ZINC000264972866	537150635	/nfs/dbraw/zinc/15/06/35/537150635.db2.gz	HBRCCLCKTVBFDC-UHFFFAOYSA-N	1	0	364.471	1.158	20	30		FDEDRO
Cc1cc(C)cc(NC(=[NH2+])NCc2ccc(S(=O)(=O)CCO)cc2)c1	ZINC000191169668	537198746	/nfs/dbraw/zinc/19/87/46/537198746.db2.gz	RNCQUONGQZHBNO-UHFFFAOYSA-N	1	0	361.467	1.996	20	30		FDEDRO
COc1cccc(CC(=O)N2CCN(Cc3cc(C#N)n(C)c3)CC2)c1	ZINC000191277944	537202231	/nfs/dbraw/zinc/20/22/31/537202231.db2.gz	AMLCROPEQGTNPA-UHFFFAOYSA-N	1	0	352.438	1.792	20	30		FDEDRO
CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000248699271	537206878	/nfs/dbraw/zinc/20/68/78/537206878.db2.gz	DSYMLECCCGXEKH-YJBOKZPZSA-N	1	0	371.485	1.689	20	30		FDEDRO
N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1	ZINC000248928183	537221781	/nfs/dbraw/zinc/22/17/81/537221781.db2.gz	XLTBGMWGNLPOEW-SQNIBIBYSA-N	1	0	370.501	1.954	20	30		FDEDRO
N#CC1(CS(=O)(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1	ZINC000192237747	537222307	/nfs/dbraw/zinc/22/23/07/537222307.db2.gz	RSZFOQRIKSZGNQ-QGZVFWFLSA-N	1	0	363.483	1.501	20	30		FDEDRO
N#C[C@@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000192763923	537232580	/nfs/dbraw/zinc/23/25/80/537232580.db2.gz	RNENDVIRQHTAKM-CHWSQXEVSA-N	1	0	352.416	1.545	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NCCC[NH+]3CCCCC3)CC2)nc1	ZINC000194135634	537259193	/nfs/dbraw/zinc/25/91/93/537259193.db2.gz	ZASAOEADLCLSSW-UHFFFAOYSA-N	1	0	356.474	1.661	20	30		FDEDRO
CN(C(=O)CN1CCC[C@@H]1C[N@@H+]1CCC[C@H]1CO)C1(C#N)CCCCC1	ZINC000363639222	537266800	/nfs/dbraw/zinc/26/68/00/537266800.db2.gz	WVJZVYCAHLKAHR-MSOLQXFVSA-N	1	0	362.518	1.592	20	30		FDEDRO
C[NH+]1CCC([C@@H]2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)C2)CC1	ZINC000270152903	537286401	/nfs/dbraw/zinc/28/64/01/537286401.db2.gz	RLCMOKLAHIVYLH-GOSISDBHSA-N	1	0	354.454	1.478	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)nc1	ZINC000293021673	537296970	/nfs/dbraw/zinc/29/69/70/537296970.db2.gz	LIUWKKWYHIRLLN-UHFFFAOYSA-N	1	0	363.421	1.804	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)ccc1F	ZINC000278323890	537300283	/nfs/dbraw/zinc/30/02/83/537300283.db2.gz	VLRMEFHURIBADB-YPMHNXCESA-N	1	0	355.435	1.160	20	30		FDEDRO
CC(C)C[NH+]1CCN(CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1	ZINC000298757636	537305112	/nfs/dbraw/zinc/30/51/12/537305112.db2.gz	YUJSJXYNZGQLSM-MRXNPFEDSA-N	1	0	367.453	1.785	20	30		FDEDRO
CCOC(=O)C[C@H](C)CNC(=[NH2+])NCCc1ccc(OC)c(OC)c1	ZINC000270430787	537331876	/nfs/dbraw/zinc/33/18/76/537331876.db2.gz	BKJGJULTUFFJBV-ZDUSSCGKSA-N	1	0	351.447	1.740	20	30		FDEDRO
C=CCn1c(C)nnc1N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	ZINC000282680194	537333101	/nfs/dbraw/zinc/33/31/01/537333101.db2.gz	SRNVIGAYQDEDKU-UHFFFAOYSA-N	1	0	360.506	1.591	20	30		FDEDRO
COC(=O)CC[N@@H+](CCOc1ccc(C#N)cc1OC)CC(OC)OC	ZINC000272770958	537333791	/nfs/dbraw/zinc/33/37/91/537333791.db2.gz	UGLKZGZRGWXAIG-UHFFFAOYSA-N	1	0	366.414	1.430	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H](Oc2ncccc2F)C1	ZINC000278851710	537340840	/nfs/dbraw/zinc/34/08/40/537340840.db2.gz	MBPVFMZCRWKFBJ-CHWSQXEVSA-N	1	0	350.394	1.464	20	30		FDEDRO
C[C@@H](CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C[NH+]1CCCC1	ZINC000298879285	537352399	/nfs/dbraw/zinc/35/23/99/537352399.db2.gz	ZGKXHKLQPYAAQU-HNNXBMFYSA-N	1	0	363.483	1.321	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000285928773	537370003	/nfs/dbraw/zinc/37/00/03/537370003.db2.gz	OSEGKQRNCVJOTP-AWEZNQCLSA-N	1	0	362.449	1.399	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)NCc1cccc(C[N@@H+](C)CC)c1	ZINC000273005284	537375069	/nfs/dbraw/zinc/37/50/69/537375069.db2.gz	UEUNUZIXIPAAEC-UHFFFAOYSA-N	1	0	353.488	1.538	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(N2CCC(C)CC2)c1	ZINC000293200730	537387655	/nfs/dbraw/zinc/38/76/55/537387655.db2.gz	AKOXAZQMXLHWBW-UHFFFAOYSA-N	1	0	370.497	1.933	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCCC[N@@H+](C)CCOC	ZINC000283940827	537393886	/nfs/dbraw/zinc/39/38/86/537393886.db2.gz	HSMBMJQNLAEINI-UHFFFAOYSA-N	1	0	372.469	1.157	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCC2(c3ccccc3C)CC2)CC1	ZINC000285973973	537393984	/nfs/dbraw/zinc/39/39/84/537393984.db2.gz	BIXWPLWAXCXTFR-UHFFFAOYSA-N	1	0	355.482	1.909	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)Cc2cccc(C#N)c2)C1	ZINC000285990120	537396166	/nfs/dbraw/zinc/39/61/66/537396166.db2.gz	ROLPSDSQBTULSZ-SFHVURJKSA-N	1	0	356.470	1.753	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(Br)ccc1C	ZINC000293235041	537396556	/nfs/dbraw/zinc/39/65/56/537396556.db2.gz	CNEBHQOHYKDGQK-UHFFFAOYSA-N	1	0	366.259	1.767	20	30		FDEDRO
C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](c2n[nH]cc2C(=O)NCCOC)C1	ZINC000364791164	537398661	/nfs/dbraw/zinc/39/86/61/537398661.db2.gz	QDOOUMYRXVMFOS-HUUCEWRRSA-N	1	0	350.463	1.292	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1	ZINC000293353234	537425780	/nfs/dbraw/zinc/42/57/80/537425780.db2.gz	FWFRHUSIKNMOHO-CQSZACIVSA-N	1	0	370.453	1.838	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(C)c(C)c2ncccc12	ZINC000293352430	537426129	/nfs/dbraw/zinc/42/61/29/537426129.db2.gz	KYBZFKQYHYZRHI-UHFFFAOYSA-N	1	0	352.438	1.861	20	30		FDEDRO
C[NH+](C)CC1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1	ZINC000365099008	537431172	/nfs/dbraw/zinc/43/11/72/537431172.db2.gz	WMXQPMCLCRFWST-IBGZPJMESA-N	1	0	368.481	1.849	20	30		FDEDRO
C[NH+](C)C[C@H](NC(=O)C(=O)Nc1ccn(CCC#N)n1)c1ccc(F)cc1	ZINC000287885581	537448329	/nfs/dbraw/zinc/44/83/29/537448329.db2.gz	OLGDOVWUNPMPKP-HNNXBMFYSA-N	1	0	372.404	1.293	20	30		FDEDRO
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000288069906	537451442	/nfs/dbraw/zinc/45/14/42/537451442.db2.gz	GENWTJBHIDTINN-UXHICEINSA-N	1	0	355.482	1.985	20	30		FDEDRO
C=C[C@@](C)(CCOC)c1nc(CC(=O)N2CCC([NH+](C)C)CC2)no1	ZINC000350271519	537488218	/nfs/dbraw/zinc/48/82/18/537488218.db2.gz	FNEAAUZMLNMDCC-SFHVURJKSA-N	1	0	350.463	1.645	20	30		FDEDRO
C=CCOCCCC(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1	ZINC000274271610	537522386	/nfs/dbraw/zinc/52/23/86/537522386.db2.gz	MFNXOBACSUWNEA-UHFFFAOYSA-N	1	0	369.487	1.448	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000288645652	537527919	/nfs/dbraw/zinc/52/79/19/537527919.db2.gz	PWRMJVSCSNZQQP-UHFFFAOYSA-N	1	0	374.457	1.340	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000274722811	537530192	/nfs/dbraw/zinc/53/01/92/537530192.db2.gz	VCFWZYQFHMDSJF-HZPDHXFCSA-N	1	0	373.453	1.253	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C	ZINC000288648648	537531659	/nfs/dbraw/zinc/53/16/59/537531659.db2.gz	QGONXGDUQMNTOH-BFYDXBDKSA-N	1	0	350.488	1.575	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1	ZINC000289578011	537577993	/nfs/dbraw/zinc/57/79/93/537577993.db2.gz	YWROATXTHWNMSB-UHFFFAOYSA-N	1	0	373.497	1.854	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	ZINC000281781663	537582003	/nfs/dbraw/zinc/58/20/03/537582003.db2.gz	JEXBGCRKNSNNPN-UHFFFAOYSA-N	1	0	358.486	1.524	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)c1	ZINC000236668005	537595193	/nfs/dbraw/zinc/59/51/93/537595193.db2.gz	YSUULJCWFUIJIZ-AWEZNQCLSA-N	1	0	351.472	1.270	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C	ZINC000293897080	537619517	/nfs/dbraw/zinc/61/95/17/537619517.db2.gz	DZCDQWVAZMLDAM-UHFFFAOYSA-N	1	0	356.386	1.169	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1cccc(S(=O)(=O)NC(C)C)c1	ZINC000293917065	537624591	/nfs/dbraw/zinc/62/45/91/537624591.db2.gz	GPMMBMOVQAZHFV-UHFFFAOYSA-N	1	0	351.472	1.058	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CNC(=O)c1ccccc1C(F)(F)F	ZINC000293933952	537626560	/nfs/dbraw/zinc/62/65/60/537626560.db2.gz	IETAENXLGNHVGY-UHFFFAOYSA-N	1	0	355.360	1.507	20	30		FDEDRO
C[C@]1(O)CCCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1	ZINC000329917144	537645615	/nfs/dbraw/zinc/64/56/15/537645615.db2.gz	QQFOPYYQAOXTDZ-AOIWGVFYSA-N	1	0	353.507	1.905	20	30		FDEDRO
NC(=O)[C@]1(O)CC[N@H+](CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)C1	ZINC000329955705	537647994	/nfs/dbraw/zinc/64/79/94/537647994.db2.gz	PGFRMEVCKSUTBP-IBGZPJMESA-N	1	0	374.441	1.485	20	30		FDEDRO
CC(=O)N1CCC[C@@H](CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1	ZINC000330007622	537649712	/nfs/dbraw/zinc/64/97/12/537649712.db2.gz	DSLARXNVKSILGL-SFHVURJKSA-N	1	0	366.506	1.203	20	30		FDEDRO
COc1nn(C)cc1NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000330026061	537649995	/nfs/dbraw/zinc/64/99/95/537649995.db2.gz	LDACTZXKJBANDL-UHFFFAOYSA-N	1	0	350.467	1.313	20	30		FDEDRO
C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@@H](N2CCCC2=O)C1	ZINC000330060435	537650905	/nfs/dbraw/zinc/65/09/05/537650905.db2.gz	MRFYCTYGIUCSJR-VVLHAWIVSA-N	1	0	350.507	1.964	20	30		FDEDRO
C[NH+]1CCC(n2ccc(NC(=O)N[C@@H]3CCO[C@]4(CCOC4)C3)n2)CC1	ZINC000330222380	537651906	/nfs/dbraw/zinc/65/19/06/537651906.db2.gz	RUNSCLCUSNBZOL-RDTXWAMCSA-N	1	0	363.462	1.814	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1cc(OC)c(OC(F)F)c(OC)c1	ZINC000294090722	537656047	/nfs/dbraw/zinc/65/60/47/537656047.db2.gz	XOMWUEHKMLEGLE-UHFFFAOYSA-N	1	0	356.369	1.990	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000294131330	537664328	/nfs/dbraw/zinc/66/43/28/537664328.db2.gz	NTKAPLLEYKVTCU-PBHICJAKSA-N	1	0	351.809	1.480	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@H](CS(C)(=O)=O)C1	ZINC000292121886	537710276	/nfs/dbraw/zinc/71/02/76/537710276.db2.gz	GPSPSIIUIGFRQG-HOTGVXAUSA-N	1	0	363.483	1.688	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H](C)[NH+](C)C)cc1	ZINC000298604708	537724731	/nfs/dbraw/zinc/72/47/31/537724731.db2.gz	KKUVNQCAVLHMLX-CYBMUJFWSA-N	1	0	354.476	1.565	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)O1	ZINC000375840467	537779705	/nfs/dbraw/zinc/77/97/05/537779705.db2.gz	PJDPHGMMBKYRMO-MOPGFXCFSA-N	1	0	356.470	1.752	20	30		FDEDRO
N#Cc1cc([N+](=O)[O-])ccc1N1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1	ZINC000366602826	537795573	/nfs/dbraw/zinc/79/55/73/537795573.db2.gz	VDCOVFCTDQDSKS-AWEZNQCLSA-N	1	0	364.427	1.212	20	30		FDEDRO
N#CC1(C(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)CCOCC1	ZINC000404205147	537805109	/nfs/dbraw/zinc/80/51/09/537805109.db2.gz	TVQSNYIVVYITSZ-RBUKOAKNSA-N	1	0	369.465	1.809	20	30		FDEDRO
N#Cc1ccc2c(c1)N(C(=O)C(=O)NC1CC([NH+]3CCCCC3)C1)CC2	ZINC000366653171	537810026	/nfs/dbraw/zinc/81/00/26/537810026.db2.gz	WKPCMBDFOMDUPR-UHFFFAOYSA-N	1	0	352.438	1.580	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21	ZINC000371752070	537830341	/nfs/dbraw/zinc/83/03/41/537830341.db2.gz	DSZBDYLEJWWYBR-GUDVDZBRSA-N	1	0	370.497	1.889	20	30		FDEDRO
C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)C2)CC1	ZINC000376092529	537834137	/nfs/dbraw/zinc/83/41/37/537834137.db2.gz	FSQHKFCPNNJSQJ-RBUKOAKNSA-N	1	0	365.481	1.525	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1	ZINC000416446632	537842416	/nfs/dbraw/zinc/84/24/16/537842416.db2.gz	QCCLSNHDSOUMSI-HYVNUMGLSA-N	1	0	356.536	1.497	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N(CCC[NH+](C)C)Cc1ccccc1	ZINC000409554241	537860094	/nfs/dbraw/zinc/86/00/94/537860094.db2.gz	RKJQGOWEIPVDBA-UHFFFAOYSA-N	1	0	352.504	1.921	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC(C[NH+]2CCCCC2)CC1	ZINC000409582197	537865001	/nfs/dbraw/zinc/86/50/01/537865001.db2.gz	ZFOLKITYUFWJEL-MRXNPFEDSA-N	1	0	356.536	1.911	20	30		FDEDRO
CN(C)S(=O)(=O)N(CC#N)Cc1cccc(C[NH+]2CCCCC2)c1	ZINC000419010901	537893651	/nfs/dbraw/zinc/89/36/51/537893651.db2.gz	YZSFHYHCDVKOKW-UHFFFAOYSA-N	1	0	350.488	1.804	20	30		FDEDRO
N#Cc1c2c(sc1NC(=O)CC[NH2+][C@H](CO)[C@H]1CCCOC1)CCC2	ZINC000411994772	537928790	/nfs/dbraw/zinc/92/87/90/537928790.db2.gz	OBCISYLKRGXXRV-SWLSCSKDSA-N	1	0	363.483	1.814	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)cc1	ZINC000377117420	537957233	/nfs/dbraw/zinc/95/72/33/537957233.db2.gz	AAVKSLBUACOQGV-COXVUDFISA-N	1	0	368.478	1.887	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1	ZINC000419144946	537957289	/nfs/dbraw/zinc/95/72/89/537957289.db2.gz	HDWZBKPUPHRVNW-QGZVFWFLSA-N	1	0	357.479	1.991	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)CC1	ZINC000368525136	537983307	/nfs/dbraw/zinc/98/33/07/537983307.db2.gz	BBCVYUFDMUKEHX-MGPUTAFESA-N	1	0	374.485	1.091	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc3c(c2)N(CC(=O)NC)CC3)CC1	ZINC000369187323	538002351	/nfs/dbraw/zinc/00/23/51/538002351.db2.gz	IBLNPHFZTFGJFF-UHFFFAOYSA-N	1	0	354.454	1.079	20	30		FDEDRO
C[C@@H](NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccc(C#N)cc1	ZINC000417107560	538003025	/nfs/dbraw/zinc/00/30/25/538003025.db2.gz	HKUCLQIHVQTDTC-PBHICJAKSA-N	1	0	357.458	1.648	20	30		FDEDRO
C[N@H+](CCCNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)Cc1ccccc1	ZINC000369233240	538007109	/nfs/dbraw/zinc/00/71/09/538007109.db2.gz	SBDQHFYXOASGAD-LJQANCHMSA-N	1	0	355.486	1.890	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCn3c(Cc4ccccc4)nnc3C2)CC1	ZINC000377815293	538026556	/nfs/dbraw/zinc/02/65/56/538026556.db2.gz	VORCMFSFLVNWPL-UHFFFAOYSA-N	1	0	363.465	1.556	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@H](CC[NH3+])C(F)F)C2)c(F)c1	ZINC000417582299	538053885	/nfs/dbraw/zinc/05/38/85/538053885.db2.gz	VDPAPIOQEREWBV-TZMCWYRMSA-N	1	0	369.391	1.948	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)CC[N@@H+]1C	ZINC000377982775	538054130	/nfs/dbraw/zinc/05/41/30/538054130.db2.gz	AHWNVBIIHYQTRU-VPCSNGCSSA-N	1	0	352.438	1.589	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1	ZINC000415453646	538057306	/nfs/dbraw/zinc/05/73/06/538057306.db2.gz	ZFCQEFFRBJHETC-CHWSQXEVSA-N	1	0	356.405	2.474	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C	ZINC000415681435	538081906	/nfs/dbraw/zinc/08/19/06/538081906.db2.gz	WKYRYUPHLLKTRP-MRXNPFEDSA-N	1	0	358.442	1.790	20	30		FDEDRO
Cc1ccc(-n2nc(CCCNC(=O)N[C@@H](C)[C@@H](C)[NH3+])c(C#N)c2N)cc1	ZINC000418698210	538099922	/nfs/dbraw/zinc/09/99/22/538099922.db2.gz	CPBCHUNKBYGGPB-KGLIPLIRSA-N	1	0	369.473	1.602	20	30		FDEDRO
N#Cc1c(F)cccc1N1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1	ZINC000418742261	538100928	/nfs/dbraw/zinc/10/09/28/538100928.db2.gz	BWLCEIZXRHYDNI-HNNXBMFYSA-N	1	0	367.375	1.526	20	30		FDEDRO
C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000420108137	538220556	/nfs/dbraw/zinc/22/05/56/538220556.db2.gz	BUHVBQWZIOUKMO-KSSFIOAISA-N	1	0	370.453	1.042	20	30		FDEDRO
N#CCCn1cc(C[NH2+]C[C@]2(CCO)CCOC2)c(-c2ccncc2)n1	ZINC000433334266	538225802	/nfs/dbraw/zinc/22/58/02/538225802.db2.gz	GWJRCWIZSFKYNF-IBGZPJMESA-N	1	0	355.442	1.737	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1	ZINC000424055214	538226194	/nfs/dbraw/zinc/22/61/94/538226194.db2.gz	QZQWHRFUNNJWLV-DZKIICNBSA-N	1	0	365.499	1.596	20	30		FDEDRO
COCCNC(=O)c1ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc1Cl	ZINC000424090726	538231358	/nfs/dbraw/zinc/23/13/58/538231358.db2.gz	KZBOFEIMDHODIN-CQSZACIVSA-N	1	0	352.822	1.676	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCC(C)(C)CC#N	ZINC000422347347	538231618	/nfs/dbraw/zinc/23/16/18/538231618.db2.gz	DJZBXGVRWMQDNB-DOTOQJQBSA-N	1	0	356.470	1.679	20	30		FDEDRO
CCCNC(=O)C1([NH2+]CC(=O)NCc2cccc(C#N)c2)CCCCC1	ZINC000440400650	538234885	/nfs/dbraw/zinc/23/48/85/538234885.db2.gz	UFJNWEXLZGTQBV-UHFFFAOYSA-N	1	0	356.470	1.993	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1	ZINC000424156871	538247383	/nfs/dbraw/zinc/24/73/83/538247383.db2.gz	RJUINKXZCRNDAR-GXTWGEPZSA-N	1	0	368.359	1.948	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1	ZINC000424182133	538250857	/nfs/dbraw/zinc/25/08/57/538250857.db2.gz	GHYHIIQPNKXTTF-ZRGWGRIASA-N	1	0	357.458	1.923	20	30		FDEDRO
COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000451586710	538281438	/nfs/dbraw/zinc/28/14/38/538281438.db2.gz	JEUHMAOFMVNAEF-CVEARBPZSA-N	1	0	350.440	1.653	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C(=O)N(C)CC(=O)Nc1ccccc1CC	ZINC000451595314	538283947	/nfs/dbraw/zinc/28/39/47/538283947.db2.gz	CZYPXSPGRONBJW-QGTPRVQTSA-N	1	0	359.470	1.968	20	30		FDEDRO
CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000420425680	538291695	/nfs/dbraw/zinc/29/16/95/538291695.db2.gz	SUOQCAIOCOWAPZ-ZDUSSCGKSA-N	1	0	358.261	1.679	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1	ZINC000428823900	538318601	/nfs/dbraw/zinc/31/86/01/538318601.db2.gz	ZBNGNLJTURRXAR-IAGOWNOFSA-N	1	0	368.499	1.121	20	30		FDEDRO
COCCO[C@H]1C[C@@H](CO)C[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1	ZINC000447404037	538382838	/nfs/dbraw/zinc/38/28/38/538382838.db2.gz	RJNVYQAYTNSMIH-AEFFLSMTSA-N	1	0	361.442	1.233	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@H]2CCCC[N@H+]2CCO)cnc1C(F)(F)F	ZINC000452379084	538386071	/nfs/dbraw/zinc/38/60/71/538386071.db2.gz	QDAFOQWABIISOQ-CYBMUJFWSA-N	1	0	356.348	1.549	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2CCO)ccc1Cl	ZINC000453824558	538459364	/nfs/dbraw/zinc/45/93/64/538459364.db2.gz	UFJOJLVTVUPZJB-AWEZNQCLSA-N	1	0	364.833	1.113	20	30		FDEDRO
CCCC[N@H+](C)CCNC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1	ZINC000472088085	538573777	/nfs/dbraw/zinc/57/37/77/538573777.db2.gz	WQQLNIDDPYXYIU-UHFFFAOYSA-N	1	0	361.494	1.164	20	30		FDEDRO
CNC(=O)CCOC1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1	ZINC000494943041	538610417	/nfs/dbraw/zinc/61/04/17/538610417.db2.gz	STXXWSYUMVDKJL-UHFFFAOYSA-N	1	0	358.442	1.504	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1	ZINC000501110007	538623477	/nfs/dbraw/zinc/62/34/77/538623477.db2.gz	RXWJWDSNHUPNFX-QKLQHJQFSA-N	1	0	361.534	1.285	20	30		FDEDRO
N#Cc1ccc(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1F	ZINC000455536181	538672262	/nfs/dbraw/zinc/67/22/62/538672262.db2.gz	HVOXPFXIWIRNLO-ROUUACIJSA-N	1	0	360.433	1.874	20	30		FDEDRO
CC1(C)[C@H](O)CC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000463222627	538675925	/nfs/dbraw/zinc/67/59/25/538675925.db2.gz	JMDGBBUYKJMZQG-GDBMZVCRSA-N	1	0	362.499	1.302	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(CC(=O)Nc2cccc(C#N)c2)CC1	ZINC000483192670	538681910	/nfs/dbraw/zinc/68/19/10/538681910.db2.gz	GUXPCNVBILYRIK-UHFFFAOYSA-N	1	0	351.410	1.723	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])CC1	ZINC000459378101	538685142	/nfs/dbraw/zinc/68/51/42/538685142.db2.gz	YMLJSGQDUMXADA-QGZVFWFLSA-N	1	0	357.414	1.205	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC1	ZINC000473041576	538738768	/nfs/dbraw/zinc/73/87/68/538738768.db2.gz	AROXGEIVHKYYSQ-UHFFFAOYSA-N	1	0	368.441	1.204	20	30		FDEDRO
CN(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C1CC[NH+](C)CC1	ZINC000498186405	538808145	/nfs/dbraw/zinc/80/81/45/538808145.db2.gz	ANFIXVDYTVLMOA-UHFFFAOYSA-N	1	0	363.483	1.930	20	30		FDEDRO
CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cnn(C)c2C#N)cc1	ZINC000474094291	538819093	/nfs/dbraw/zinc/81/90/93/538819093.db2.gz	GJKNXWFDFIKHEG-UHFFFAOYSA-N	1	0	368.441	1.616	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1C#N	ZINC000489699333	538836319	/nfs/dbraw/zinc/83/63/19/538836319.db2.gz	GWHDSTFMVJCLAB-DJIMGWMZSA-N	1	0	364.471	1.134	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000489699737	538836521	/nfs/dbraw/zinc/83/65/21/538836521.db2.gz	HLXBVCAOZOTYTJ-XYPHTWIQSA-N	1	0	367.446	1.570	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)CC[NH+]2CCCC2)cc1	ZINC000481008834	538869698	/nfs/dbraw/zinc/86/96/98/538869698.db2.gz	ZVYUTIJAIXPMSC-CQSZACIVSA-N	1	0	364.471	1.932	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1CCCC	ZINC000560793342	545606766	/nfs/dbraw/zinc/60/67/66/545606766.db2.gz	JAINQLCFJPPTPB-BZSNNMDCSA-N	1	0	365.518	1.855	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1)[N@H+](C)C1CC1	ZINC000561175291	545725277	/nfs/dbraw/zinc/72/52/77/545725277.db2.gz	FBQOTPIFGSYGLQ-OAHLLOKOSA-N	1	0	369.469	1.064	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)C2)nc1	ZINC000561231150	545760802	/nfs/dbraw/zinc/76/08/02/545760802.db2.gz	WINCPHNUESSIOU-BFYDXBDKSA-N	1	0	357.458	1.881	20	30		FDEDRO
CSC1(CNS(=O)(=O)c2cc(C#N)ccc2C)CC[NH+](C)CC1	ZINC000562070903	546025513	/nfs/dbraw/zinc/02/55/13/546025513.db2.gz	VPHVGENLOIJNOM-UHFFFAOYSA-N	1	0	353.513	1.972	20	30		FDEDRO
N#Cc1cccc(C2(C(=O)NCC(=O)NCC[NH+]3CCCCCC3)CC2)c1	ZINC000562183167	546049309	/nfs/dbraw/zinc/04/93/09/546049309.db2.gz	WYGKIMLQSURZGS-UHFFFAOYSA-N	1	0	368.481	1.698	20	30		FDEDRO
CC(C)CN1C[C@H]2C[N@H+](CCC(=O)Nc3cccc(C#N)c3)CCN2C1=O	ZINC000562352135	546105407	/nfs/dbraw/zinc/10/54/07/546105407.db2.gz	HJACUIGQHNMEPI-GOSISDBHSA-N	1	0	369.469	1.965	20	30		FDEDRO
CCCc1c(NC(=O)C(=O)N(C)CCC[NH3+])cnn1-c1cccc(C#N)c1	ZINC000562760436	546256480	/nfs/dbraw/zinc/25/64/80/546256480.db2.gz	CCKMPROCLYSRAU-UHFFFAOYSA-N	1	0	368.441	1.442	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)cc1	ZINC000562803822	546274182	/nfs/dbraw/zinc/27/41/82/546274182.db2.gz	MOTXARCKVNJOJO-UHFFFAOYSA-N	1	0	371.485	1.453	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)NCCN3CC[NH2+]CC3)CC2)cc1	ZINC000562814116	546280616	/nfs/dbraw/zinc/28/06/16/546280616.db2.gz	IQKOKHZELJBJNL-UHFFFAOYSA-N	1	0	357.458	1.016	20	30		FDEDRO
C[C@@H](CN1CCC[C@@H](C)C1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000562984185	546341053	/nfs/dbraw/zinc/34/10/53/546341053.db2.gz	ABBINCPZWGUFCT-CABCVRRESA-N	1	0	350.488	1.437	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1	ZINC000562994325	546346579	/nfs/dbraw/zinc/34/65/79/546346579.db2.gz	XJCGYZVZKHXQID-HNNXBMFYSA-N	1	0	363.849	1.728	20	30		FDEDRO
Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1	ZINC000563150468	546426602	/nfs/dbraw/zinc/42/66/02/546426602.db2.gz	PBVLNNTVNKWEKV-RDJZCZTQSA-N	1	0	351.414	1.571	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)NCC[C@H]3CC[NH2+]C3)C2)c(F)c1	ZINC000563568395	546592664	/nfs/dbraw/zinc/59/26/64/546592664.db2.gz	LBBOFBWAHFUWSS-GDBMZVCRSA-N	1	0	359.449	1.965	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(C)cc2OC)CC1	ZINC000563714958	546658757	/nfs/dbraw/zinc/65/87/57/546658757.db2.gz	HZAQDQJFFLOEGT-UHFFFAOYSA-N	1	0	359.470	1.777	20	30		FDEDRO
C[C@@H]([NH2+]C[C@H](O)CN(C)CCC#N)c1ccc(NC(=O)NC2CC2)cc1	ZINC000563805378	546690889	/nfs/dbraw/zinc/69/08/89/546690889.db2.gz	FKJLCTKMQGVLFF-KDOFPFPSSA-N	1	0	359.474	1.827	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)ncc1C#N	ZINC000563823606	546699096	/nfs/dbraw/zinc/69/90/96/546699096.db2.gz	YHOZUJQLGMXFEU-INIZCTEOSA-N	1	0	369.400	1.758	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)NCC1CC[NH2+]CC1	ZINC000563956885	546752691	/nfs/dbraw/zinc/75/26/91/546752691.db2.gz	ADLGLBUTSLLMHR-UHFFFAOYSA-N	1	0	358.261	1.599	20	30		FDEDRO
N#CCCN(C(=O)C[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1)c1ccccc1	ZINC000564288966	546869112	/nfs/dbraw/zinc/86/91/12/546869112.db2.gz	AVYALLGTRRPIMN-BHIYHBOVSA-N	1	0	357.454	1.795	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)CC2)c1C#N	ZINC000564786279	547037559	/nfs/dbraw/zinc/03/75/59/547037559.db2.gz	AJGSIGDQTLECBI-WKILWMFISA-N	1	0	373.505	1.197	20	30		FDEDRO
CC(C)CN1CCCC[C@H]1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000564854504	547069404	/nfs/dbraw/zinc/06/94/04/547069404.db2.gz	QTFUDCKFVATUFG-KRWDZBQOSA-N	1	0	364.515	1.827	20	30		FDEDRO
Cc1ccccc1C[C@H](CO)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000564975397	547137331	/nfs/dbraw/zinc/13/73/31/547137331.db2.gz	MLGVLQFVPZTORU-GOSISDBHSA-N	1	0	358.463	1.834	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)ncc1C#N	ZINC000565188406	547244066	/nfs/dbraw/zinc/24/40/66/547244066.db2.gz	BTXUKXHOVHHNFJ-HNNXBMFYSA-N	1	0	357.458	1.684	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1	ZINC000565222823	547261274	/nfs/dbraw/zinc/26/12/74/547261274.db2.gz	QXBBAJKGEXKCOE-GOSISDBHSA-N	1	0	364.534	1.478	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1	ZINC000565303634	547298226	/nfs/dbraw/zinc/29/82/26/547298226.db2.gz	XDFNKJOTJDGLCD-GOSISDBHSA-N	1	0	354.454	1.313	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1	ZINC000565821951	547493722	/nfs/dbraw/zinc/49/37/22/547493722.db2.gz	HRNPGIQNQNCVFI-MGPQQGTHSA-N	1	0	368.416	2.393	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1	ZINC000566109703	547607779	/nfs/dbraw/zinc/60/77/79/547607779.db2.gz	SOUUOPVMCARSKY-LJQANCHMSA-N	1	0	367.453	1.630	20	30		FDEDRO
CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000566131953	547618910	/nfs/dbraw/zinc/61/89/10/547618910.db2.gz	HUUJMUKKQLFFNS-DLBZAZTESA-N	1	0	359.426	1.347	20	30		FDEDRO
COc1ccc([C@H](CO)C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)cc1	ZINC000566230877	547672118	/nfs/dbraw/zinc/67/21/18/547672118.db2.gz	FPZOYVCPFUOXJR-ZWKOTPCHSA-N	1	0	356.422	1.672	20	30		FDEDRO
N#Cc1cccc(OCCCCC(=O)NC[C@]2(O)C[NH+]3CCC2CC3)c1	ZINC000566576969	547814200	/nfs/dbraw/zinc/81/42/00/547814200.db2.gz	QDJFHRVSVHJJOS-FQEVSTJZSA-N	1	0	357.454	1.680	20	30		FDEDRO
CN(CCC[NH3+])C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000566726335	547864119	/nfs/dbraw/zinc/86/41/19/547864119.db2.gz	UCJCOJQICMCMDX-UHFFFAOYSA-N	1	0	358.320	1.245	20	30		FDEDRO
CC(C)[N@H+](C)C[C@H](C)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000567091024	547991595	/nfs/dbraw/zinc/99/15/95/547991595.db2.gz	FUCMMFQTDUZLNO-AWEZNQCLSA-N	1	0	351.472	1.318	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(F)c1	ZINC000567470553	548129016	/nfs/dbraw/zinc/12/90/16/548129016.db2.gz	FULYRZJZVBBTEQ-CYBMUJFWSA-N	1	0	353.419	1.073	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCN1CCCC1=O	ZINC000567507601	548145452	/nfs/dbraw/zinc/14/54/52/548145452.db2.gz	ITMMIGNRTKQQLB-UHFFFAOYSA-N	1	0	357.458	1.254	20	30		FDEDRO
CN(C)[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1	ZINC000567680029	548208339	/nfs/dbraw/zinc/20/83/39/548208339.db2.gz	MYWQETPLAQFRNX-SFHVURJKSA-N	1	0	372.494	1.489	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]([C@H]2CCCO2)C2(CO)CCC2)cc1	ZINC000567872855	548301748	/nfs/dbraw/zinc/30/17/48/548301748.db2.gz	IJWJIHJKHDAVKU-MISYRCLQSA-N	1	0	374.481	1.792	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H](CO)Cc2ccccc2)c1	ZINC000567877761	548303895	/nfs/dbraw/zinc/30/38/95/548303895.db2.gz	SZAKKOKMJYQKQE-SFHVURJKSA-N	1	0	358.463	1.773	20	30		FDEDRO
C[C@H]1CC[N@H+](C)CCN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000568463684	548545519	/nfs/dbraw/zinc/54/55/19/548545519.db2.gz	WQSAMAFFHHWAMC-MAUKXSAKSA-N	1	0	369.469	1.395	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]Cc2cccnc2N2CCOCC2)cc1	ZINC000568501061	548561735	/nfs/dbraw/zinc/56/17/35/548561735.db2.gz	OSDWRZWCKCIMFV-GOSISDBHSA-N	1	0	368.437	1.319	20	30		FDEDRO
COc1ccc2c(c1)nc(C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)n2C	ZINC000569232563	548843924	/nfs/dbraw/zinc/84/39/24/548843924.db2.gz	HGCDNDLRNQBHHB-OAHLLOKOSA-N	1	0	366.421	1.983	20	30		FDEDRO
N#Cc1ccsc1NC(=O)C(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1	ZINC000569324707	548874894	/nfs/dbraw/zinc/87/48/94/548874894.db2.gz	ZMZDHRGCFMLNCW-OAHLLOKOSA-N	1	0	370.434	1.764	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]C1CCN(C(=O)CCc2ccccc2)CC1	ZINC000569474805	548932094	/nfs/dbraw/zinc/93/20/94/548932094.db2.gz	RANYZNFKFMNOBX-HXUWFJFHSA-N	1	0	372.513	1.406	20	30		FDEDRO
C[C@@H]1COCC[C@@H]1[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000569657188	548996162	/nfs/dbraw/zinc/99/61/62/548996162.db2.gz	NXDRBBPQKIMCBS-PMPSAXMXSA-N	1	0	362.499	1.472	20	30		FDEDRO
CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC(=O)N(C)C3(C#N)CCCCC3)[C@H]2C1	ZINC000570314161	549235862	/nfs/dbraw/zinc/23/58/62/549235862.db2.gz	IDOJYJIXTCTRFN-BZSNNMDCSA-N	1	0	360.502	1.908	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@H](CO)Cc2cccnc2)c1	ZINC000570720972	549388696	/nfs/dbraw/zinc/38/86/96/549388696.db2.gz	QWCBEPLCEQCLEN-QGZVFWFLSA-N	1	0	359.451	1.168	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000571062375	549513305	/nfs/dbraw/zinc/51/33/05/549513305.db2.gz	YYXGSBJJKOXLAS-WBAXXEDZSA-N	1	0	369.469	1.428	20	30		FDEDRO
CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC(=O)NCc3ccc(C#N)cc3)[C@H]2C1	ZINC000571989426	549818175	/nfs/dbraw/zinc/81/81/75/549818175.db2.gz	WOIRVYFRUGGOJM-FHWLQOOXSA-N	1	0	354.454	1.411	20	30		FDEDRO
CN1CCN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)[C@@H](C[NH3+])C1	ZINC000572224146	549868088	/nfs/dbraw/zinc/86/80/88/549868088.db2.gz	YAYSAWPCQNIRJL-ZDUSSCGKSA-N	1	0	371.363	1.606	20	30		FDEDRO
N#Cc1cncc(S(=O)(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c1	ZINC000572343844	549893465	/nfs/dbraw/zinc/89/34/65/549893465.db2.gz	MGKGTGKLIFVJPO-MRXNPFEDSA-N	1	0	364.471	1.219	20	30		FDEDRO
C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)cn2)C1	ZINC000572345960	549893992	/nfs/dbraw/zinc/89/39/92/549893992.db2.gz	ZJAVKFDAKDQBGW-YOEHRIQHSA-N	1	0	363.421	1.843	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC(C#N)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000572562587	549942974	/nfs/dbraw/zinc/94/29/74/549942974.db2.gz	VVUPLWFMRNIOHK-QFBILLFUSA-N	1	0	368.481	1.775	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC[N@@H+]1C	ZINC000573420161	550132409	/nfs/dbraw/zinc/13/24/09/550132409.db2.gz	FXXMXXKPEISWGO-JLSDUUJJSA-N	1	0	369.469	1.441	20	30		FDEDRO
CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCN(c2cnccc2C#N)CC1	ZINC000573870739	550224678	/nfs/dbraw/zinc/22/46/78/550224678.db2.gz	PDYZHJAMJLHBCK-MRXNPFEDSA-N	1	0	358.490	1.905	20	30		FDEDRO
N#CC1CCN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1	ZINC000574298088	550291618	/nfs/dbraw/zinc/29/16/18/550291618.db2.gz	PQGQQTGLVBHQCG-UHFFFAOYSA-N	1	0	354.454	1.313	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H](O)COc2ccccc2)c1	ZINC000574772573	550368015	/nfs/dbraw/zinc/36/80/15/550368015.db2.gz	VCXJRVAHKDDIBJ-MRXNPFEDSA-N	1	0	360.435	1.361	20	30		FDEDRO
Cc1nc2c(n1CCO)CC[C@H](NC(=O)CSc1ccc(C#N)cc1)C2	ZINC000574788291	550371103	/nfs/dbraw/zinc/37/11/03/550371103.db2.gz	WLXJNEWZRHAUME-HNNXBMFYSA-N	1	0	370.478	1.821	20	30		FDEDRO
C[NH2+]CCCC(=O)N1CCC(NC(=O)Nc2cc(C)cc(C#N)c2)CC1	ZINC000575139160	550432759	/nfs/dbraw/zinc/43/27/59/550432759.db2.gz	YMUTUYBIZDASAF-UHFFFAOYSA-N	1	0	357.458	1.979	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)cc1	ZINC000575378031	550459309	/nfs/dbraw/zinc/45/93/09/550459309.db2.gz	YRIKNLQYSZLRJK-DZGCQCFKSA-N	1	0	371.359	1.245	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H](C)C1CCN(S(=O)(=O)CC)CC1	ZINC000576024398	550502765	/nfs/dbraw/zinc/50/27/65/550502765.db2.gz	YDHSYZOBKVZTLM-INIZCTEOSA-N	1	0	373.563	1.793	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2cccc(-n3cncn3)c2)cc1	ZINC000576630559	550569873	/nfs/dbraw/zinc/56/98/73/550569873.db2.gz	RNQNXQDZESHYIZ-LJQANCHMSA-N	1	0	363.421	1.863	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1	ZINC000576696817	550576314	/nfs/dbraw/zinc/57/63/14/550576314.db2.gz	RNAGEDBEEVVBLD-MSOLQXFVSA-N	1	0	360.458	1.100	20	30		FDEDRO
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N(C)CCC[NH3+]	ZINC000576728052	550579577	/nfs/dbraw/zinc/57/95/77/550579577.db2.gz	UEHHXRNZXYAAET-UHFFFAOYSA-N	1	0	367.409	1.800	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000576810933	550588303	/nfs/dbraw/zinc/58/83/03/550588303.db2.gz	HFKCZNXCCZOSGK-QGZVFWFLSA-N	1	0	357.454	1.563	20	30		FDEDRO
Cn1cnc(CCNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1	ZINC000576951664	550603866	/nfs/dbraw/zinc/60/38/66/550603866.db2.gz	MHXQKVUUPVUBRM-UHFFFAOYSA-N	1	0	356.405	1.505	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](CCO)C2CCOCC2)cc1	ZINC000577433864	550655897	/nfs/dbraw/zinc/65/58/97/550655897.db2.gz	SGTPYTUDVJROPK-QGZVFWFLSA-N	1	0	352.456	1.099	20	30		FDEDRO
C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)NCc2ccc(CC#N)cc2)C1	ZINC000577508697	550664731	/nfs/dbraw/zinc/66/47/31/550664731.db2.gz	WSORSXWPOXRMSQ-KRWDZBQOSA-N	1	0	370.497	1.997	20	30		FDEDRO
C=CCOc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1	ZINC000577709233	550685482	/nfs/dbraw/zinc/68/54/82/550685482.db2.gz	DNXZMUGMYGEHLQ-WOJBJXKFSA-N	1	0	370.497	1.972	20	30		FDEDRO
Cc1cccc(C[C@@H](CO)[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)c1	ZINC000577850684	550701739	/nfs/dbraw/zinc/70/17/39/550701739.db2.gz	GXWMDHITZLJEGK-PMACEKPBSA-N	1	0	354.450	1.994	20	30		FDEDRO
CCCN(C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CC[NH2+]C1	ZINC000578121772	550730009	/nfs/dbraw/zinc/73/00/09/550730009.db2.gz	NDCJGAVTFPDWHP-ROUUACIJSA-N	1	0	369.469	1.837	20	30		FDEDRO
CC1(C#N)CCN(C(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1	ZINC000578490790	550768828	/nfs/dbraw/zinc/76/88/28/550768828.db2.gz	HCCSJJIXSIHCKQ-UHFFFAOYSA-N	1	0	358.486	1.408	20	30		FDEDRO
C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)[C@H](C)N1CCOCC1	ZINC000578498989	550769849	/nfs/dbraw/zinc/76/98/49/550769849.db2.gz	ANSXCKXMUJILGT-CABCVRRESA-N	1	0	351.472	1.031	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(S(=O)(=O)CC)C[C@H]2C)CC1	ZINC000578683902	550790668	/nfs/dbraw/zinc/79/06/68/550790668.db2.gz	GPFXRABWPXNFQO-OAHLLOKOSA-N	1	0	372.535	1.092	20	30		FDEDRO
CC[NH+]1CCC(N2CCCN(S(=O)(=O)CC3(C#N)CC3)CC2)CC1	ZINC000578763838	550799083	/nfs/dbraw/zinc/79/90/83/550799083.db2.gz	NUHPWFKMAPRWQT-UHFFFAOYSA-N	1	0	354.520	1.112	20	30		FDEDRO
Cc1cc(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)nc(N2CCCC2)n1	ZINC000578996502	550824275	/nfs/dbraw/zinc/82/42/75/550824275.db2.gz	NAGAQMORMMGCRJ-SFHVURJKSA-N	1	0	367.453	1.786	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]Cc1cc(Br)cc2c1OCC2	ZINC000578999638	550824653	/nfs/dbraw/zinc/82/46/53/550824653.db2.gz	OVEJDPQBHHJOIK-HNNXBMFYSA-N	1	0	368.275	1.680	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)cc1	ZINC000579223548	550849249	/nfs/dbraw/zinc/84/92/49/550849249.db2.gz	AJXFKGSDCQVULP-HOTGVXAUSA-N	1	0	369.396	1.832	20	30		FDEDRO
N#CCc1cccc(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1	ZINC000579252406	550852863	/nfs/dbraw/zinc/85/28/63/550852863.db2.gz	HLYFSOOROPTPLL-WMZOPIPTSA-N	1	0	354.454	1.473	20	30		FDEDRO
C[C@@H](NC(=O)c1ccc(C#Cc2ccccc2)cc1)C(=O)NCC[NH+](C)C	ZINC000579494169	550879857	/nfs/dbraw/zinc/87/98/57/550879857.db2.gz	ZLFDMQZVKIBHDT-QGZVFWFLSA-N	1	0	363.461	1.883	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c([N+](=O)[O-])c1	ZINC000579598066	550890557	/nfs/dbraw/zinc/89/05/57/550890557.db2.gz	PGPGTDXGVCERFJ-GFCCVEGCSA-N	1	0	356.304	1.967	20	30		FDEDRO
CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCN(c2cnccc2C#N)CC1	ZINC000579675228	550897900	/nfs/dbraw/zinc/89/79/00/550897900.db2.gz	CRDRDVABXLMSCD-LJQANCHMSA-N	1	0	371.485	1.395	20	30		FDEDRO
CC1(C)[C@H](O)C[C@H]1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000579975654	550930344	/nfs/dbraw/zinc/93/03/44/550930344.db2.gz	YMVJIMOWYUEZKH-HUUCEWRRSA-N	1	0	354.372	1.922	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)NCCC[NH+]2CCCCC2)CC1	ZINC000580946459	551035621	/nfs/dbraw/zinc/03/56/21/551035621.db2.gz	YJRLVEZOOBDNPE-UHFFFAOYSA-N	1	0	356.474	1.661	20	30		FDEDRO
N#CCCn1cc(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)c(-c2ccncc2)n1	ZINC000580989880	551040417	/nfs/dbraw/zinc/04/04/17/551040417.db2.gz	RYKFEFSKUWGDJJ-LJQANCHMSA-N	1	0	350.426	1.571	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCc2cc(F)c(F)c(F)c2)nc1	ZINC000581007510	551042116	/nfs/dbraw/zinc/04/21/16/551042116.db2.gz	LWDSAWHGWLVBNY-UHFFFAOYSA-N	1	0	369.368	1.977	20	30		FDEDRO
C[NH+]1CCC(CNc2nc3ccccn3c2C#N)(N2CCOCC2)CC1	ZINC000581118496	551053315	/nfs/dbraw/zinc/05/33/15/551053315.db2.gz	LNAQXQASCPEDEK-UHFFFAOYSA-N	1	0	354.458	1.414	20	30		FDEDRO
CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)cc1	ZINC000581301387	551073593	/nfs/dbraw/zinc/07/35/93/551073593.db2.gz	WWBWSYWJRMNLKY-SCLBCKFNSA-N	1	0	363.483	1.939	20	30		FDEDRO
Cn1cc([C@@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)C2(CO)CCC2)cn1	ZINC000581407934	551085498	/nfs/dbraw/zinc/08/54/98/551085498.db2.gz	VDBGSKUJNHIROC-PKOBYXMFSA-N	1	0	370.453	1.525	20	30		FDEDRO
N#Cc1ccc(OCC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1	ZINC000581603182	551110386	/nfs/dbraw/zinc/11/03/86/551110386.db2.gz	NMXYOTGWHIREDW-OAHLLOKOSA-N	1	0	357.366	1.875	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)cc1	ZINC000581666166	551119707	/nfs/dbraw/zinc/11/97/07/551119707.db2.gz	DWJZFBRANUCBTG-UHFFFAOYSA-N	1	0	354.454	1.502	20	30		FDEDRO
C[NH+](C)CCOc1cnccc1CNS(=O)(=O)c1ccc(C#N)cc1	ZINC000582025240	551165052	/nfs/dbraw/zinc/16/50/52/551165052.db2.gz	GTEHIYTZVOMRBO-UHFFFAOYSA-N	1	0	360.439	1.372	20	30		FDEDRO
CN(C)C[C@](C)(C#N)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000582065989	551171084	/nfs/dbraw/zinc/17/10/84/551171084.db2.gz	LTNPEKSVYYRJGC-ZDUSSCGKSA-N	1	0	355.192	1.931	20	30		FDEDRO
C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(C#N)n2)C1	ZINC000582485654	551230726	/nfs/dbraw/zinc/23/07/26/551230726.db2.gz	YEZCHFKLSHGGNR-PBHICJAKSA-N	1	0	363.421	1.843	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000582532060	551237364	/nfs/dbraw/zinc/23/73/64/551237364.db2.gz	YZZKROPMGRDABU-HCXYKTFWSA-N	1	0	359.470	1.512	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1	ZINC000583259414	551326657	/nfs/dbraw/zinc/32/66/57/551326657.db2.gz	YVUBDQYADHATKC-YOEHRIQHSA-N	1	0	370.453	1.137	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCc2nncn2C1	ZINC000583335927	551336940	/nfs/dbraw/zinc/33/69/40/551336940.db2.gz	MFTXGLTXWPDJMQ-KRWDZBQOSA-N	1	0	352.442	1.303	20	30		FDEDRO
C=CCn1cc(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)nn1	ZINC000583437126	551351477	/nfs/dbraw/zinc/35/14/77/551351477.db2.gz	QPEIDIWMKFSMLZ-IRXDYDNUSA-N	1	0	362.478	1.031	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000583495196	551360798	/nfs/dbraw/zinc/36/07/98/551360798.db2.gz	UOIRXFXWYSZHRI-FGTMMUONSA-N	1	0	359.470	1.729	20	30		FDEDRO
COc1ccc(C)cc1CC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000583559943	551369024	/nfs/dbraw/zinc/36/90/24/551369024.db2.gz	PFWYBZHFSZXBDF-UHFFFAOYSA-N	1	0	359.451	1.876	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1	ZINC000583820047	551406844	/nfs/dbraw/zinc/40/68/44/551406844.db2.gz	VMKADADJPCWZNK-UHFFFAOYSA-N	1	0	353.532	1.889	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@]4(CC[NH2+]C4)C3)cc2C1=O	ZINC000583870205	551413356	/nfs/dbraw/zinc/41/33/56/551413356.db2.gz	DPZLOYIMXVMYOC-HXUWFJFHSA-N	1	0	353.422	1.684	20	30		FDEDRO
CN(CCC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1	ZINC000584391790	551489859	/nfs/dbraw/zinc/48/98/59/551489859.db2.gz	QPGDMINHVKDWBI-CQSZACIVSA-N	1	0	362.861	1.975	20	30		FDEDRO
C[C@@H]1CCC[C@@H](C)N1CC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000584405965	551492193	/nfs/dbraw/zinc/49/21/93/551492193.db2.gz	LDNXBZJYBNIGAO-HUUCEWRRSA-N	1	0	350.488	1.579	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(C(=O)C3(c4cc(F)cc(C#N)c4)CC3)CC2)C1	ZINC000586782151	551618957	/nfs/dbraw/zinc/61/89/57/551618957.db2.gz	LFIIJUDVGBJICX-IBGZPJMESA-N	1	0	370.472	1.967	20	30		FDEDRO
Cc1cc(C#N)nc(N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)n1	ZINC000587415693	551631897	/nfs/dbraw/zinc/63/18/97/551631897.db2.gz	CFTFVKYAYPICDY-UHFFFAOYSA-N	1	0	358.490	1.577	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1)c1cccc(C#N)c1	ZINC000587718438	551634782	/nfs/dbraw/zinc/63/47/82/551634782.db2.gz	OGWGYNRSUYMTOM-OAHLLOKOSA-N	1	0	354.454	1.822	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)cc1	ZINC000588212839	551658315	/nfs/dbraw/zinc/65/83/15/551658315.db2.gz	XNDSDZZVPQUAJA-QZTJIDSGSA-N	1	0	357.454	1.437	20	30		FDEDRO
CC[N@@H+]1CCN(C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)C[C@H]1C	ZINC000588293399	551664729	/nfs/dbraw/zinc/66/47/29/551664729.db2.gz	QMIPZCZFPSPXGS-ZIAGYGMSSA-N	1	0	364.471	1.930	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2cc(O)cc(C#N)c2)cc1	ZINC000589168086	551714859	/nfs/dbraw/zinc/71/48/59/551714859.db2.gz	LBHBYCZEESNBSW-UHFFFAOYSA-N	1	0	352.394	1.808	20	30		FDEDRO
C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2cc(O)cc(C#N)c2)CC1	ZINC000589175112	551715446	/nfs/dbraw/zinc/71/54/46/551715446.db2.gz	COXKPRLWQYMFJF-HOTGVXAUSA-N	1	0	356.470	1.894	20	30		FDEDRO
Cc1c(C(=O)N[C@]2(C#N)CC2(C)C)nnn1-c1cccc2c1CC[N@@H+](C)C2	ZINC000589812432	551746562	/nfs/dbraw/zinc/74/65/62/551746562.db2.gz	IAHQLGWQMFKZLQ-FQEVSTJZSA-N	1	0	364.453	1.986	20	30		FDEDRO
CS(=O)(=O)Nc1cccc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1	ZINC000590053141	551758294	/nfs/dbraw/zinc/75/82/94/551758294.db2.gz	MOQNKKFQWPXOTA-QGZVFWFLSA-N	1	0	372.450	1.978	20	30		FDEDRO
C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)C1	ZINC000590231987	551766283	/nfs/dbraw/zinc/76/62/83/551766283.db2.gz	ISZOSILLPHFHJF-QGZVFWFLSA-N	1	0	363.421	1.625	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)N[C@@H]2CC[C@H]([NH+]3CCN(C)CC3)CC2)c1	ZINC000590326714	551774157	/nfs/dbraw/zinc/77/41/57/551774157.db2.gz	GGMONUGBFJUSQO-KDURUIRLSA-N	1	0	369.513	1.913	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@@](O)(C[NH+](C)C)C1	ZINC000590338097	551774582	/nfs/dbraw/zinc/77/45/82/551774582.db2.gz	USEIDNZVXIRNKF-LJQANCHMSA-N	1	0	361.490	1.261	20	30		FDEDRO
COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2	ZINC000590354900	551775665	/nfs/dbraw/zinc/77/56/65/551775665.db2.gz	AFFPJCRMFYWKQG-QGZVFWFLSA-N	1	0	372.469	1.232	20	30		FDEDRO
C[NH+]1CCC(n2ccc(=NC(=O)C(=O)Nc3ccc(F)cc3C#N)[nH]2)CC1	ZINC000590609127	551798971	/nfs/dbraw/zinc/79/89/71/551798971.db2.gz	NPLIBNAGFQIDSB-UHFFFAOYSA-N	1	0	370.388	1.738	20	30		FDEDRO
C[C@](CO)([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1cccc(O)c1	ZINC000590742163	551809984	/nfs/dbraw/zinc/80/99/84/551809984.db2.gz	JSPKLTFTGZRSDJ-AZUAARDMSA-N	1	0	356.422	1.695	20	30		FDEDRO
CN(C)C(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000590764170	551814472	/nfs/dbraw/zinc/81/44/72/551814472.db2.gz	CTRYDXRTJOHPJR-IAGOWNOFSA-N	1	0	360.458	1.228	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2C[NH+](C)C)cc1	ZINC000591054466	551839512	/nfs/dbraw/zinc/83/95/12/551839512.db2.gz	CGMXTMYWXZCNJV-INIZCTEOSA-N	1	0	365.499	1.707	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)cc1	ZINC000591054579	551839527	/nfs/dbraw/zinc/83/95/27/551839527.db2.gz	NBTQLMNWNAIEFX-RBUKOAKNSA-N	1	0	371.481	1.969	20	30		FDEDRO
CN1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)[C@H](C[NH3+])C1	ZINC000591277622	551855699	/nfs/dbraw/zinc/85/56/99/551855699.db2.gz	SDCXFWUSCBIJOY-MRXNPFEDSA-N	1	0	366.425	1.852	20	30		FDEDRO
C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000591297459	551857846	/nfs/dbraw/zinc/85/78/46/551857846.db2.gz	CKNSJDSBZJLXIZ-RYUDHWBXSA-N	1	0	360.368	2.047	20	30		FDEDRO
N#CCCSc1ccccc1NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1	ZINC000591305084	551859534	/nfs/dbraw/zinc/85/95/34/551859534.db2.gz	UFDGFVXTPXHLFG-HIFRSBDPSA-N	1	0	358.467	1.841	20	30		FDEDRO
C[C@H]([NH3+])CNC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1	ZINC000591304925	551859729	/nfs/dbraw/zinc/85/97/29/551859729.db2.gz	SRWSYFOZKOKASV-LBPRGKRZSA-N	1	0	368.441	1.443	20	30		FDEDRO
C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000591306514	551859828	/nfs/dbraw/zinc/85/98/28/551859828.db2.gz	XGUNIGLOTNLXBB-STQMWFEESA-N	1	0	364.446	1.789	20	30		FDEDRO
C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1	ZINC000591306141	551859858	/nfs/dbraw/zinc/85/98/58/551859858.db2.gz	AYMHKGMJEFHTEQ-ZFWWWQNUSA-N	1	0	362.405	1.442	20	30		FDEDRO
N#Cc1cccc(CNC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1	ZINC000591340716	551863904	/nfs/dbraw/zinc/86/39/04/551863904.db2.gz	KUWIVBFHJOCDAT-MSOLQXFVSA-N	1	0	369.469	1.348	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1	ZINC000591360463	551866189	/nfs/dbraw/zinc/86/61/89/551866189.db2.gz	YNYZYFMOBINYMJ-KGLIPLIRSA-N	1	0	358.446	1.525	20	30		FDEDRO
CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C(=O)NC2CCN(CC#N)CC2)cc1	ZINC000591414925	551869142	/nfs/dbraw/zinc/86/91/42/551869142.db2.gz	RCGAKNPVVOTJIE-SFHVURJKSA-N	1	0	371.485	1.030	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]CC3)CC2)cc1	ZINC000591423289	551869512	/nfs/dbraw/zinc/86/95/12/551869512.db2.gz	IQRLDOSGCFHFTH-INIZCTEOSA-N	1	0	370.453	1.186	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1	ZINC000591576903	551881167	/nfs/dbraw/zinc/88/11/67/551881167.db2.gz	MCHYHWPNZBPPGD-ROUUACIJSA-N	1	0	354.454	1.659	20	30		FDEDRO
C=CCN(CC=C)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000591597266	551882428	/nfs/dbraw/zinc/88/24/28/551882428.db2.gz	OYWPTADCGAEXKF-UHFFFAOYSA-N	1	0	358.490	1.762	20	30		FDEDRO
Cc1cc(NC(=O)CC[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)no1	ZINC000591737002	551904992	/nfs/dbraw/zinc/90/49/92/551904992.db2.gz	QHGJCIGONQEQQL-UHFFFAOYSA-N	1	0	354.414	1.837	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCOC3(CCOCC3)C2)cc1	ZINC000591756642	551906109	/nfs/dbraw/zinc/90/61/09/551906109.db2.gz	LDDXQQWTKFBFCD-ZWKOTPCHSA-N	1	0	360.454	1.810	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCN(C3CCCCC3)C2=O)cc1	ZINC000591755957	551906307	/nfs/dbraw/zinc/90/63/07/551906307.db2.gz	CNZHMMHKACQKML-MJGOQNOKSA-N	1	0	357.454	1.821	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)cc1	ZINC000591754795	551906355	/nfs/dbraw/zinc/90/63/55/551906355.db2.gz	ZGFPXGMXVGEWLX-MSOLQXFVSA-N	1	0	357.454	1.679	20	30		FDEDRO
COc1ccc2c(c1)CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C2	ZINC000591759509	551906456	/nfs/dbraw/zinc/90/64/56/551906456.db2.gz	XHHVPOQOVRHURJ-QGZVFWFLSA-N	1	0	371.462	1.883	20	30		FDEDRO
COc1cc(Br)ccc1C[NH2+]C[C@H](O)CN(C)CCC#N	ZINC000591761085	551906853	/nfs/dbraw/zinc/90/68/53/551906853.db2.gz	NYVQIPLMVGFBBK-AWEZNQCLSA-N	1	0	356.264	1.754	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN(C(=O)NCCOc1ccc(C#N)cc1)CCO2	ZINC000591968573	551921710	/nfs/dbraw/zinc/92/17/10/551921710.db2.gz	VUBYGUHRAQWVQL-UHFFFAOYSA-N	1	0	358.442	1.443	20	30		FDEDRO
CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)[C@@H]1SC	ZINC000592169760	551952905	/nfs/dbraw/zinc/95/29/05/551952905.db2.gz	QTSGXTKSHFWKLE-DDBAPUKQSA-N	1	0	350.484	1.991	20	30		FDEDRO
CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000592185162	551955195	/nfs/dbraw/zinc/95/51/95/551955195.db2.gz	VCWVWSXCPGAZLJ-BBRMVZONSA-N	1	0	371.359	1.298	20	30		FDEDRO
C[N@H+](CCNC(=O)C(=O)NCc1ccc(CC#N)cc1)Cc1ccccc1	ZINC000592331686	551981001	/nfs/dbraw/zinc/98/10/01/551981001.db2.gz	NEHRCBKIBFWCNI-UHFFFAOYSA-N	1	0	364.449	1.617	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1	ZINC000592375469	551985919	/nfs/dbraw/zinc/98/59/19/551985919.db2.gz	UULLLDWLNXSQRP-TZMCWYRMSA-N	1	0	364.427	1.619	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+])c1cccc(C#N)c1	ZINC000592441874	551995902	/nfs/dbraw/zinc/99/59/02/551995902.db2.gz	AAQRRXZGNYQCBG-AUUYWEPGSA-N	1	0	362.433	1.820	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)CN2CCC(CO)([NH2+]CC3CC3)CC2)cc1	ZINC000593033645	552054582	/nfs/dbraw/zinc/05/45/82/552054582.db2.gz	ZBNXUIASQKPSGC-IBGZPJMESA-N	1	0	373.497	1.319	20	30		FDEDRO
COc1cc(=NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)[nH]n1C	ZINC000593183476	552070704	/nfs/dbraw/zinc/07/07/04/552070704.db2.gz	YATOIXRJLYEJSL-UHFFFAOYSA-N	1	0	368.441	2.086	20	30		FDEDRO
CCOC[C@@H]1C(=O)N(C2CC[NH+](Cc3cccc(C#N)c3)CC2)C(=O)N1C	ZINC000593232413	552075107	/nfs/dbraw/zinc/07/51/07/552075107.db2.gz	NPHVNRHGFNRCKV-GOSISDBHSA-N	1	0	370.453	1.822	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2Cc3cccc(C#N)c3C2)CC1	ZINC000593338140	552091690	/nfs/dbraw/zinc/09/16/90/552091690.db2.gz	WTGIUSGRKCRXLJ-UHFFFAOYSA-N	1	0	369.469	1.526	20	30		FDEDRO
COC(=O)c1cc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)no1	ZINC000593351876	552094731	/nfs/dbraw/zinc/09/47/31/552094731.db2.gz	UTKGZPQLXDXNQP-UHFFFAOYSA-N	1	0	368.393	1.727	20	30		FDEDRO
CCC(=O)N1CC[C@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000593355328	552094831	/nfs/dbraw/zinc/09/48/31/552094831.db2.gz	WMDBVJDALDFEAO-SFHVURJKSA-N	1	0	368.481	1.897	20	30		FDEDRO
COc1ccc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)nn1	ZINC000593354522	552094858	/nfs/dbraw/zinc/09/48/58/552094858.db2.gz	QOEKYFZYMFYKHA-UHFFFAOYSA-N	1	0	351.410	1.751	20	30		FDEDRO
CC(C)C[N@H+](C)CCCNC(=O)N1CCN(c2cnccc2C#N)CC1	ZINC000593424634	552106602	/nfs/dbraw/zinc/10/66/02/552106602.db2.gz	OSBKKJIDYJPQJK-UHFFFAOYSA-N	1	0	358.490	1.763	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCC(C(N)=O)CC3)CC2)c1	ZINC000593508172	552119119	/nfs/dbraw/zinc/11/91/19/552119119.db2.gz	FSLZCQMDUJJTDS-UHFFFAOYSA-N	1	0	369.469	1.430	20	30		FDEDRO
COCCN(CCOC)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593510426	552119664	/nfs/dbraw/zinc/11/96/64/552119664.db2.gz	XAUIMSCYDGXXEU-UHFFFAOYSA-N	1	0	374.485	1.827	20	30		FDEDRO
C[C@](O)(CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CC1	ZINC000593512339	552120194	/nfs/dbraw/zinc/12/01/94/552120194.db2.gz	UAUYSDHULDJBFE-FQEVSTJZSA-N	1	0	356.470	1.983	20	30		FDEDRO
C[C@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC(=O)N1	ZINC000593518900	552121492	/nfs/dbraw/zinc/12/14/92/552121492.db2.gz	XVVYCOSPHHGLBL-AWEZNQCLSA-N	1	0	355.442	1.053	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCC1([NH+](C)C)CCCC1	ZINC000593527662	552123758	/nfs/dbraw/zinc/12/37/58/552123758.db2.gz	CXOOUHQJHLKHTJ-UHFFFAOYSA-N	1	0	365.455	1.498	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCCC1	ZINC000593534560	552125786	/nfs/dbraw/zinc/12/57/86/552125786.db2.gz	LSLJBYZVJWITRB-CYBMUJFWSA-N	1	0	365.455	1.355	20	30		FDEDRO
CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)OC)C1	ZINC000593552608	552131276	/nfs/dbraw/zinc/13/12/76/552131276.db2.gz	SVBKWALSUGECBM-CQSZACIVSA-N	1	0	365.455	1.450	20	30		FDEDRO
CC[N@H+](CCCNS(=O)(=O)N1CCO[C@H](C#N)C1)C1CCCCC1	ZINC000593626627	552155665	/nfs/dbraw/zinc/15/56/65/552155665.db2.gz	CAHBKPVJGSYPNW-MRXNPFEDSA-N	1	0	358.508	1.090	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N3C[C@@H]4CCC[C@]4(C[NH3+])C3)CC2)nc1	ZINC000593704859	552178253	/nfs/dbraw/zinc/17/82/53/552178253.db2.gz	XIESRADWYHOXEV-JXFKEZNVSA-N	1	0	368.485	1.692	20	30		FDEDRO
CC(C)(C#N)c1ccc(S(=O)(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1	ZINC000593728911	552184223	/nfs/dbraw/zinc/18/42/23/552184223.db2.gz	HOEHXSPXBBRIPV-INIZCTEOSA-N	1	0	362.499	1.156	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1C#N	ZINC000593736450	552187101	/nfs/dbraw/zinc/18/71/01/552187101.db2.gz	STSVKBQBFOVNSR-YQQAZPJKSA-N	1	0	363.483	1.774	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1	ZINC000593767243	552194543	/nfs/dbraw/zinc/19/45/43/552194543.db2.gz	OERFRALNNKSEDH-LZLYRXPVSA-N	1	0	370.453	1.550	20	30		FDEDRO
CCN1CCOC[C@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593885367	552217228	/nfs/dbraw/zinc/21/72/28/552217228.db2.gz	DNEVFQGTDQJIRI-IBGZPJMESA-N	1	0	356.470	1.360	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)C(=O)NCCCC3CC3)CC2)c1	ZINC000593927687	552227319	/nfs/dbraw/zinc/22/73/19/552227319.db2.gz	BKOFAQLXGOJQCR-UHFFFAOYSA-N	1	0	368.481	1.945	20	30		FDEDRO
CN1CCN(C(=O)C(=O)NCC(C)(C)CC#N)[C@H](Cc2ccccc2)C1	ZINC000593930390	552228506	/nfs/dbraw/zinc/22/85/06/552228506.db2.gz	GPYQSCBIASUWNP-QGZVFWFLSA-N	1	0	356.470	1.428	20	30		FDEDRO
C[C@@H]1COCC[N@@H+]1C1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1	ZINC000593988984	552235562	/nfs/dbraw/zinc/23/55/62/552235562.db2.gz	VOUKMTFSUIRSLI-PBHICJAKSA-N	1	0	374.510	1.910	20	30		FDEDRO
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000594025858	552240576	/nfs/dbraw/zinc/24/05/76/552240576.db2.gz	UDUHGIGBDXOZEJ-HRCADAONSA-N	1	0	374.510	1.770	20	30		FDEDRO
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000594246931	552270221	/nfs/dbraw/zinc/27/02/21/552270221.db2.gz	BQVGMNVHPRUCQM-JQHSSLGASA-N	1	0	369.469	1.693	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1C#N	ZINC000594318742	552286834	/nfs/dbraw/zinc/28/68/34/552286834.db2.gz	RTKRKGUARGXPGB-AKAXFMLLSA-N	1	0	358.442	1.740	20	30		FDEDRO
COC(=O)c1ccc(N2CCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H](C)C2)cc1	ZINC000594436938	552309967	/nfs/dbraw/zinc/30/99/67/552309967.db2.gz	RFNRFRFPNYBAMH-MAUKXSAKSA-N	1	0	372.469	1.922	20	30		FDEDRO
C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)[C@@H]([NH3+])CCCCC#N	ZINC000594438804	552310672	/nfs/dbraw/zinc/31/06/72/552310672.db2.gz	LVCBWOAERKLEAN-HKUYNNGSSA-N	1	0	357.502	1.725	20	30		FDEDRO
CN1CCN(C(=O)c2ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc2)CC1	ZINC000594441254	552311320	/nfs/dbraw/zinc/31/13/20/552311320.db2.gz	PWDNHKHUNIIZDN-KRWDZBQOSA-N	1	0	357.458	1.424	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1	ZINC000594442688	552311701	/nfs/dbraw/zinc/31/17/01/552311701.db2.gz	HSWFEHDVHLRRFY-RISCZKNCSA-N	1	0	350.369	1.598	20	30		FDEDRO
CC(C)(C#N)c1ccc(C[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)cc1	ZINC000594494980	552325996	/nfs/dbraw/zinc/32/59/96/552325996.db2.gz	JOCZWTLYFTZLRG-UHFFFAOYSA-N	1	0	364.449	1.993	20	30		FDEDRO
N#CCC1(CS(=O)(=O)NCC2CC[NH+](C3CCOCC3)CC2)CC1	ZINC000594805410	552391843	/nfs/dbraw/zinc/39/18/43/552391843.db2.gz	XVTAOPNVLKFJBI-UHFFFAOYSA-N	1	0	355.504	1.491	20	30		FDEDRO
CN(CCC[NH+](C)C)CCNS(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000594820327	552398008	/nfs/dbraw/zinc/39/80/08/552398008.db2.gz	BMAFHWZDGSCXAV-UHFFFAOYSA-N	1	0	356.467	1.000	20	30		FDEDRO
C[C@H](CCNS(=O)(=O)c1cccc(Br)c1C#N)[NH+](C)C	ZINC000594821917	552398789	/nfs/dbraw/zinc/39/87/89/552398789.db2.gz	PSZQEJGXKFVVTM-SNVBAGLBSA-N	1	0	360.277	1.939	20	30		FDEDRO
C[C@H](CCNS(=O)(=O)c1cc(Br)ccc1C#N)[NH+](C)C	ZINC000594822731	552399339	/nfs/dbraw/zinc/39/93/39/552399339.db2.gz	ZZXLTLGRNAEPET-SNVBAGLBSA-N	1	0	360.277	1.939	20	30		FDEDRO
N#Cc1ncccc1S(=O)(=O)NCC1CC[NH+](Cc2ccncc2)CC1	ZINC000594829450	552400788	/nfs/dbraw/zinc/40/07/88/552400788.db2.gz	JILVFDZLESFHNW-UHFFFAOYSA-N	1	0	371.466	1.539	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)s1	ZINC000595114321	552455284	/nfs/dbraw/zinc/45/52/84/552455284.db2.gz	WLCXKXYRGAEGTG-OUCADQQQSA-N	1	0	355.485	1.527	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1	ZINC000595116649	552456546	/nfs/dbraw/zinc/45/65/46/552456546.db2.gz	WVMGNRCTSBUHNX-INIZCTEOSA-N	1	0	363.483	1.967	20	30		FDEDRO
COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)c2ccccc2C#N)cc1	ZINC000595119538	552457121	/nfs/dbraw/zinc/45/71/21/552457121.db2.gz	FPBZFQZTYXEKFF-ROUUACIJSA-N	1	0	371.462	1.991	20	30		FDEDRO
COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@@](C)(C#N)C2)c1	ZINC000595172921	552477282	/nfs/dbraw/zinc/47/72/82/552477282.db2.gz	HWIMITKKFYBRBN-FQEVSTJZSA-N	1	0	372.469	1.348	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1	ZINC000595194937	552486331	/nfs/dbraw/zinc/48/63/31/552486331.db2.gz	WTNOMNURSIQRQY-INIZCTEOSA-N	1	0	358.442	1.908	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1	ZINC000595198018	552487433	/nfs/dbraw/zinc/48/74/33/552487433.db2.gz	ZYVWVMSMGSLHCP-HNNXBMFYSA-N	1	0	360.389	1.005	20	30		FDEDRO
C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)C1	ZINC000595202004	552488896	/nfs/dbraw/zinc/48/88/96/552488896.db2.gz	VTTXDFLFLNZYBR-WIYYLYMNSA-N	1	0	368.481	1.524	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NCC2([NH3+])CCCC2)ccc1Br	ZINC000595237894	552501999	/nfs/dbraw/zinc/50/19/99/552501999.db2.gz	HSBAIFCUMCOFPL-UHFFFAOYSA-N	1	0	365.231	1.647	20	30		FDEDRO
C[C@H](C#N)CN(C(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)C1CC1	ZINC000595238300	552502053	/nfs/dbraw/zinc/50/20/53/552502053.db2.gz	CLELRJZHSQHVRA-DYVFJYSZSA-N	1	0	356.426	1.437	20	30		FDEDRO
N#CCCSc1ccccc1NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1	ZINC000595241580	552503072	/nfs/dbraw/zinc/50/30/72/552503072.db2.gz	BOAYKHHASVUHSH-VXGBXAGGSA-N	1	0	350.419	1.529	20	30		FDEDRO
C[C@]1(C#N)CCN(C(=O)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1	ZINC000595241710	552503228	/nfs/dbraw/zinc/50/32/28/552503228.db2.gz	HQJIRTFRILFJPU-OAHLLOKOSA-N	1	0	354.332	1.865	20	30		FDEDRO
C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	ZINC000595245816	552504305	/nfs/dbraw/zinc/50/43/05/552504305.db2.gz	WWODZCKFKBTXST-CYBMUJFWSA-N	1	0	367.409	1.717	20	30		FDEDRO
CC(C)(C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)n1cc(N)cn1	ZINC000595250966	552505197	/nfs/dbraw/zinc/50/51/97/552505197.db2.gz	SGRAMTUBUZBJKR-UHFFFAOYSA-N	1	0	366.469	1.853	20	30		FDEDRO
C[NH2+]C[C@@H](C)NC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N	ZINC000595275659	552510242	/nfs/dbraw/zinc/51/02/42/552510242.db2.gz	QJQTXLRMGNUTKF-CQSZACIVSA-N	1	0	369.473	1.474	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(S(=O)(=O)Cc2ccc(F)cc2C#N)CCO1	ZINC000595403799	552551166	/nfs/dbraw/zinc/55/11/66/552551166.db2.gz	IPNBNYLZAJDTSB-KRWDZBQOSA-N	1	0	369.462	1.570	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000595404471	552551569	/nfs/dbraw/zinc/55/15/69/552551569.db2.gz	LVCCLHKEMOLLNM-MRXNPFEDSA-N	1	0	351.472	1.598	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)NCC1CC[NH+](CC2CC2)CC1	ZINC000595409057	552552804	/nfs/dbraw/zinc/55/28/04/552552804.db2.gz	JPANWIXTOCOFDX-UHFFFAOYSA-N	1	0	363.483	1.967	20	30		FDEDRO
N#Cc1sccc1N1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1	ZINC000595548918	552582575	/nfs/dbraw/zinc/58/25/75/552582575.db2.gz	BEEYORZWXHWLQM-CQSZACIVSA-N	1	0	359.499	1.936	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](Cn2ccnn2)C1	ZINC000595607945	552591811	/nfs/dbraw/zinc/59/18/11/552591811.db2.gz	LXFAZFWYAXINQN-IAGOWNOFSA-N	1	0	352.442	1.935	20	30		FDEDRO
CC(C)NC(=O)CC[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595725209	552606974	/nfs/dbraw/zinc/60/69/74/552606974.db2.gz	BOFUHVKHGFRBBA-UHFFFAOYSA-N	1	0	366.469	1.985	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1	ZINC000595749173	552611046	/nfs/dbraw/zinc/61/10/46/552611046.db2.gz	MMUIHINIRZTAEQ-WMZOPIPTSA-N	1	0	358.486	1.636	20	30		FDEDRO
CC(C)(C)NC(=O)NC(=O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1	ZINC000595774052	552613849	/nfs/dbraw/zinc/61/38/49/552613849.db2.gz	NGDZBTBFFWGPMS-UHFFFAOYSA-N	1	0	358.442	1.778	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@@H]2C[C@H](O)C23CCC3)CC1	ZINC000595780855	552614370	/nfs/dbraw/zinc/61/43/70/552614370.db2.gz	JAAIDBXFXCPGCN-OIISXLGYSA-N	1	0	374.510	1.350	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[N@H+](CCN1CCOCC1)CC1CC1	ZINC000595808994	552618434	/nfs/dbraw/zinc/61/84/34/552618434.db2.gz	QMUKWOHYOREUCU-UHFFFAOYSA-N	1	0	359.470	1.990	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C[N@H+](CCN2CCOCC2)CC2CC2)c1	ZINC000595810026	552618869	/nfs/dbraw/zinc/61/88/69/552618869.db2.gz	VTRRNUAFRBBZCD-UHFFFAOYSA-N	1	0	356.470	1.219	20	30		FDEDRO
CC(C)NC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000595851223	552623654	/nfs/dbraw/zinc/62/36/54/552623654.db2.gz	PTYLAWQVEPXCJJ-QZTJIDSGSA-N	1	0	359.470	1.729	20	30		FDEDRO
Cc1sc(NC(=O)CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(C#N)c1C	ZINC000595862380	552624993	/nfs/dbraw/zinc/62/49/93/552624993.db2.gz	BFHPIVVVWPZOAA-OAHLLOKOSA-N	1	0	362.499	1.706	20	30		FDEDRO
Cc1oc(NC(=O)[C@H](C)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(C#N)c1C	ZINC000595864944	552625571	/nfs/dbraw/zinc/62/55/71/552625571.db2.gz	XULPCDYJSZGBOI-BBRMVZONSA-N	1	0	360.458	1.626	20	30		FDEDRO
N#CC1(CC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)CCCCC1	ZINC000595937111	552635512	/nfs/dbraw/zinc/63/55/12/552635512.db2.gz	QHXIURIYZDJFQK-SJORKVTESA-N	1	0	373.501	1.597	20	30		FDEDRO
C=CC[C@]1(C(=O)Nc2cccc(-n3cc(C(=O)OC)nn3)c2)CCC[NH2+]1	ZINC000595952218	552637743	/nfs/dbraw/zinc/63/77/43/552637743.db2.gz	NIACXKBXCGZQNY-GOSISDBHSA-N	1	0	355.398	1.691	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCN(c3ccc(C(=O)OCC)cn3)CC2)CCC[NH2+]1	ZINC000595952363	552637839	/nfs/dbraw/zinc/63/78/39/552637839.db2.gz	PASYHPLWOMOKQW-HXUWFJFHSA-N	1	0	372.469	1.605	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CCN(C(=O)[C@@H]4CCCC[NH2+]4)CC3)n[nH]2)cc1	ZINC000595972850	552640569	/nfs/dbraw/zinc/64/05/69/552640569.db2.gz	ZAIOZCWQFHKSKZ-KRWDZBQOSA-N	1	0	364.453	1.739	20	30		FDEDRO
N#Cc1cccc(C(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c1	ZINC000595984848	552641166	/nfs/dbraw/zinc/64/11/66/552641166.db2.gz	DGUSKYMDKQACBQ-KRWDZBQOSA-N	1	0	364.453	1.711	20	30		FDEDRO
N#Cc1cc(F)c(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1Br	ZINC000596014092	552644465	/nfs/dbraw/zinc/64/44/65/552644465.db2.gz	MSUQRXXWDMMJSM-JOYOIKCWSA-N	1	0	353.195	1.208	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](NC3CC[NH+]([C@H]4CCOC4)CC3)C2=O)cc1	ZINC000596047321	552649486	/nfs/dbraw/zinc/64/94/86/552649486.db2.gz	PKFJHPIFNPCCNN-RBUKOAKNSA-N	1	0	354.454	1.506	20	30		FDEDRO
C[C@@]1(NC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC[NH2+]C1	ZINC000596127770	552658371	/nfs/dbraw/zinc/65/83/71/552658371.db2.gz	AFHKTSIRJNENJU-CQSZACIVSA-N	1	0	356.304	1.264	20	30		FDEDRO
Cc1cc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc(C#N)c1[N+](=O)[O-]	ZINC000596174101	552661980	/nfs/dbraw/zinc/66/19/80/552661980.db2.gz	AXPAHUWSFCNOSS-MRXNPFEDSA-N	1	0	357.414	1.693	20	30		FDEDRO
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@H]1CCc2cc(C#N)ccc21	ZINC000596580705	552691521	/nfs/dbraw/zinc/69/15/21/552691521.db2.gz	KALDUCKXXKXKNH-KRWDZBQOSA-N	1	0	357.458	1.207	20	30		FDEDRO
CN1C(=O)CC[C@H]1CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000596693091	552702450	/nfs/dbraw/zinc/70/24/50/552702450.db2.gz	FNUMFVCUIMKVSM-SFHVURJKSA-N	1	0	354.454	1.603	20	30		FDEDRO
C[NH+](C)[C@@]1(CNC(=O)C(=O)NCC2(C#N)CCCCC2)CCSC1	ZINC000597198114	552759675	/nfs/dbraw/zinc/75/96/75/552759675.db2.gz	GPBNVAPQPDKDRI-QGZVFWFLSA-N	1	0	352.504	1.130	20	30		FDEDRO
Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000597273421	552768434	/nfs/dbraw/zinc/76/84/34/552768434.db2.gz	GGJBQJNAUQGAJS-QGZVFWFLSA-N	1	0	354.458	1.901	20	30		FDEDRO
C[NH+]1CC2(C1)CCN(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C2	ZINC000597573026	552806359	/nfs/dbraw/zinc/80/63/59/552806359.db2.gz	XQEBAWUSFOHJQU-UHFFFAOYSA-N	1	0	361.467	1.542	20	30		FDEDRO
C[C@H](CC#N)C(=O)N(CCN(C)C(=O)[C@@H](C)CC#N)CC[NH+]1CCCC1	ZINC000597648053	552817218	/nfs/dbraw/zinc/81/72/18/552817218.db2.gz	CYTHMECCIUITCB-DLBZAZTESA-N	1	0	361.490	1.469	20	30		FDEDRO
CC[C@@](C)(C#N)C(=O)N(C)CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O	ZINC000597652989	552818003	/nfs/dbraw/zinc/81/80/03/552818003.db2.gz	GYYGRRYXKCXVCC-FQEVSTJZSA-N	1	0	370.453	1.613	20	30		FDEDRO
C[C@@H](CCNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[NH+](C)C	ZINC000597992008	552853495	/nfs/dbraw/zinc/85/34/95/552853495.db2.gz	IIEBRSYGTTYMOQ-XJKSGUPXSA-N	1	0	371.441	1.220	20	30		FDEDRO
C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)CNc2ccc(C#N)cn2)C1	ZINC000598195876	552875175	/nfs/dbraw/zinc/87/51/75/552875175.db2.gz	VJRNRNZLTIVLPC-IBGZPJMESA-N	1	0	363.465	2.141	20	30		FDEDRO
N#Cc1ccc(C[C@H](C#N)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1	ZINC000598451064	552896795	/nfs/dbraw/zinc/89/67/95/552896795.db2.gz	MTYYJMXJFOXTHU-IEBWSBKVSA-N	1	0	352.438	1.298	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1	ZINC000598558778	552909472	/nfs/dbraw/zinc/90/94/72/552909472.db2.gz	DCZITKHBDCEARS-KRWDZBQOSA-N	1	0	354.454	1.526	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[NH+]1CCN(Cc2nnnn2-c2ccccc2)CC1	ZINC000598596704	552913121	/nfs/dbraw/zinc/91/31/21/552913121.db2.gz	TYGSXFJSTKQBSZ-KRWDZBQOSA-N	1	0	369.473	1.081	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1	ZINC000598719063	552928011	/nfs/dbraw/zinc/92/80/11/552928011.db2.gz	FQTFGMPUIYHITD-MSOLQXFVSA-N	1	0	359.470	1.986	20	30		FDEDRO
CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]C[C@@H](O)CC(C)(C)C#N)s1	ZINC000598729092	552928468	/nfs/dbraw/zinc/92/84/68/552928468.db2.gz	ZENCVXDPUXFFDE-WOPDTQHZSA-N	1	0	353.492	1.954	20	30		FDEDRO
C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]C[C@@H](O)CC(C)(C)C#N	ZINC000598727347	552928494	/nfs/dbraw/zinc/92/84/94/552928494.db2.gz	HBEOJJBFYDSRQF-GJZGRUSLSA-N	1	0	353.488	1.634	20	30		FDEDRO
CCN(C[C@H](O)COc1ccccc1C#N)[C@H](C)CS(=O)(=O)CC	ZINC000599293132	553017635	/nfs/dbraw/zinc/01/76/35/553017635.db2.gz	OHKRCTPIKZUDPN-ZBFHGGJFSA-N	1	0	354.472	1.443	20	30		FDEDRO
C[C@H](c1cccnc1)N1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1	ZINC000599299878	553019597	/nfs/dbraw/zinc/01/95/97/553019597.db2.gz	PDFXZMPAJOVNIF-IEBWSBKVSA-N	1	0	358.486	1.832	20	30		FDEDRO
C[C@H](c1cccnc1)N1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1	ZINC000599299879	553019845	/nfs/dbraw/zinc/01/98/45/553019845.db2.gz	PDFXZMPAJOVNIF-MJGOQNOKSA-N	1	0	358.486	1.832	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)CCOCC1	ZINC000599320018	553025837	/nfs/dbraw/zinc/02/58/37/553025837.db2.gz	PRHGDQUKAFGEBY-ZIAGYGMSSA-N	1	0	350.381	1.693	20	30		FDEDRO
CCCC[N@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@H]1CCS(=O)(=O)C1	ZINC000599326878	553028431	/nfs/dbraw/zinc/02/84/31/553028431.db2.gz	OUPYWSGPWNWBOO-JKSUJKDBSA-N	1	0	358.504	1.347	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@]2(C1)C(=O)Nc1ccccc12	ZINC000599380132	553040526	/nfs/dbraw/zinc/04/05/26/553040526.db2.gz	BUKDPXZRRJZVFQ-HRAATJIYSA-N	1	0	363.417	1.894	20	30		FDEDRO
CNC(=O)C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)c1ccccc1	ZINC000599393734	553044071	/nfs/dbraw/zinc/04/40/71/553044071.db2.gz	LSDPAINVCZTDDI-QZTJIDSGSA-N	1	0	353.422	1.765	20	30		FDEDRO
CNC(=O)C[C@H]([NH2+]C[C@H](O)COc1ccccc1C#N)c1ccccc1	ZINC000599393735	553044145	/nfs/dbraw/zinc/04/41/45/553044145.db2.gz	LSDPAINVCZTDDI-ROUUACIJSA-N	1	0	353.422	1.765	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)CCOCC1	ZINC000599414839	553051761	/nfs/dbraw/zinc/05/17/61/553051761.db2.gz	JRDCMERWWOJMML-UKRRQHHQSA-N	1	0	350.381	1.837	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)C(=O)NC1(C#N)CCCCC1	ZINC000599628056	553107323	/nfs/dbraw/zinc/10/73/23/553107323.db2.gz	BQTCRRJTIITHMR-LXZKKBNFSA-N	1	0	358.442	1.938	20	30		FDEDRO
CC(C)N1CC[NH+](C2CCN(C(=O)Cc3ccc(C#N)nc3)CC2)CC1	ZINC000599722551	553130472	/nfs/dbraw/zinc/13/04/72/553130472.db2.gz	MMIJQKFDNOYNGG-UHFFFAOYSA-N	1	0	355.486	1.513	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O	ZINC000599782716	553146486	/nfs/dbraw/zinc/14/64/86/553146486.db2.gz	YCFCJMOUUZFXLY-AWEZNQCLSA-N	1	0	360.462	1.576	20	30		FDEDRO
COc1cc(NC(=O)NCCN2C[C@H](C)OC[C@@H]2C)c(F)cc1C#N	ZINC000599808496	553153369	/nfs/dbraw/zinc/15/33/69/553153369.db2.gz	MNOYZDRPGASXSP-RYUDHWBXSA-N	1	0	350.394	1.937	20	30		FDEDRO
CC(C)(C)c1csc(NC(=O)C(=O)NC2(C[NH3+])CCOCC2)c1C#N	ZINC000599898852	553170629	/nfs/dbraw/zinc/17/06/29/553170629.db2.gz	ZKTAVLOFMMSTJI-UHFFFAOYSA-N	1	0	364.471	1.480	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1	ZINC000599898167	553170635	/nfs/dbraw/zinc/17/06/35/553170635.db2.gz	BOXNNPFRLDVYTD-PWSUYJOCSA-N	1	0	372.322	1.622	20	30		FDEDRO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(C)CCOCC[NH3+]	ZINC000599899693	553170949	/nfs/dbraw/zinc/17/09/49/553170949.db2.gz	GUGQTIHBQBHYOB-ZDUSSCGKSA-N	1	0	364.471	1.453	20	30		FDEDRO
C[C@@H]1CC[C@@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C[NH2+]1	ZINC000599938967	553178854	/nfs/dbraw/zinc/17/88/54/553178854.db2.gz	KJNZIOUFASLGAD-TZMCWYRMSA-N	1	0	358.446	1.396	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(F)cc1C#N	ZINC000599955717	553184841	/nfs/dbraw/zinc/18/48/41/553184841.db2.gz	OJPZWYVJTUQRAS-LRDDRELGSA-N	1	0	374.416	1.587	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c(F)cc1C#N	ZINC000599966197	553188112	/nfs/dbraw/zinc/18/81/12/553188112.db2.gz	VWZZSPGSOXMVEW-XHDPSFHLSA-N	1	0	360.389	1.197	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c(F)cc1C#N	ZINC000599968675	553188815	/nfs/dbraw/zinc/18/88/15/553188815.db2.gz	MERAPJPTCQHOQZ-AWEZNQCLSA-N	1	0	374.416	1.731	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(F)cc1C#N	ZINC000599980109	553191708	/nfs/dbraw/zinc/19/17/08/553191708.db2.gz	UTWCWMCDQWXKFX-PBWFPOADSA-N	1	0	374.416	1.728	20	30		FDEDRO
C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C[C@H]21	ZINC000599992167	553195602	/nfs/dbraw/zinc/19/56/02/553195602.db2.gz	QWROYXBFPXRRQB-CTNYNGJSSA-N	1	0	372.856	1.583	20	30		FDEDRO
CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CC1	ZINC000600049525	553208452	/nfs/dbraw/zinc/20/84/52/553208452.db2.gz	YQCFLWVIJSGKIH-UHFFFAOYSA-N	1	0	374.416	1.349	20	30		FDEDRO
N#CC1(c2ccc(C[NH+]3CCC(n4cc(C(N)=O)nn4)CC3)cc2)CC1	ZINC000600188623	553228510	/nfs/dbraw/zinc/22/85/10/553228510.db2.gz	ABXFDAHLNNHBPC-UHFFFAOYSA-N	1	0	350.426	1.769	20	30		FDEDRO
N#Cc1ccc(OCc2ccc(C(=O)NCC[N@H+]3CC[C@@H](O)C3)o2)cc1	ZINC000600536745	553281956	/nfs/dbraw/zinc/28/19/56/553281956.db2.gz	WOUCRFARDWFFRM-OAHLLOKOSA-N	1	0	355.394	1.527	20	30		FDEDRO
COc1ccc([C@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)N2CCOCC2)cc1	ZINC000600714745	553306005	/nfs/dbraw/zinc/30/60/05/553306005.db2.gz	OZKVNUPQVWYCBC-HKUYNNGSSA-N	1	0	359.470	1.713	20	30		FDEDRO
COc1cc(C[NH2+]C[C@@H](O)CC2(C#N)CC2)ccc1OCC(=O)N(C)C	ZINC000600715208	553306187	/nfs/dbraw/zinc/30/61/87/553306187.db2.gz	AEQXQQYNHOSATJ-HNNXBMFYSA-N	1	0	361.442	1.307	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+][C@H]2CCN(c3ccccc3F)C2=O)CCOCC1	ZINC000600723295	553307443	/nfs/dbraw/zinc/30/74/43/553307443.db2.gz	BZWFTKVCQWQTKB-ZBFHGGJFSA-N	1	0	361.417	1.592	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCn1c(=O)[nH]c2ccccc21	ZINC000600725110	553307485	/nfs/dbraw/zinc/30/74/85/553307485.db2.gz	BCSHAYIKAWSRFP-HNNXBMFYSA-N	1	0	352.394	1.643	20	30		FDEDRO
COc1ccccc1CC(=O)N1CCC([NH2+]C[C@H](O)CC2(C#N)CC2)CC1	ZINC000600725486	553308130	/nfs/dbraw/zinc/30/81/30/553308130.db2.gz	XIEUWQXXZLHIIR-GOSISDBHSA-N	1	0	371.481	1.873	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCC1CCS(=O)(=O)CC1	ZINC000600730011	553308381	/nfs/dbraw/zinc/30/83/81/553308381.db2.gz	CTFQWDLDSZPINR-INIZCTEOSA-N	1	0	352.456	1.102	20	30		FDEDRO
Cc1cc(S(=O)(=O)NCC[NH2+]C[C@@H](O)CC2(C#N)CC2)c(C)s1	ZINC000600728311	553308474	/nfs/dbraw/zinc/30/84/74/553308474.db2.gz	ORQDVESGVFFHAU-ZDUSSCGKSA-N	1	0	357.501	1.288	20	30		FDEDRO
COc1ccc2c(c1)nc(C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)n2C	ZINC000600734342	553308765	/nfs/dbraw/zinc/30/87/65/553308765.db2.gz	IRXWTOSURWUBJQ-AWEZNQCLSA-N	1	0	358.442	1.743	20	30		FDEDRO
CS(=O)(=O)Cc1ccccc1C[NH2+]C[C@@H](O)COc1ccccc1C#N	ZINC000600731420	553308809	/nfs/dbraw/zinc/30/88/09/553308809.db2.gz	XCKQRPPHRHWASQ-GOSISDBHSA-N	1	0	374.462	1.632	20	30		FDEDRO
Cc1cc(N2CCC[C@@H]([NH2+]C[C@@H](O)CC3(C#N)CCOCC3)C2)n(C)n1	ZINC000600736532	553309361	/nfs/dbraw/zinc/30/93/61/553309361.db2.gz	ZVVQQYBKDVYCBH-SJORKVTESA-N	1	0	361.490	1.358	20	30		FDEDRO
CS(=O)(=O)CC1(CC[NH2+]C[C@@H](O)COc2ccccc2C#N)CC1	ZINC000600744286	553310009	/nfs/dbraw/zinc/31/00/09/553310009.db2.gz	BJRHAXDBAFWYJB-OAHLLOKOSA-N	1	0	352.456	1.102	20	30		FDEDRO
COc1ccc([C@H](CO)C[NH2+]C[C@@H](O)COc2ccccc2C#N)cc1	ZINC000600745552	553310471	/nfs/dbraw/zinc/31/04/71/553310471.db2.gz	ROOTUMJPELMFSP-ZWKOTPCHSA-N	1	0	356.422	1.672	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H](n1cccn1)C(F)(F)F	ZINC000600749396	553310985	/nfs/dbraw/zinc/31/09/85/553310985.db2.gz	XPSCDBAGPCWYNQ-HIFRSBDPSA-N	1	0	354.332	1.888	20	30		FDEDRO
COc1ncc(Br)cc1C[NH2+]C[C@@H](O)CN(C)CCC#N	ZINC000600758113	553312378	/nfs/dbraw/zinc/31/23/78/553312378.db2.gz	WOGUTUFMVPVVDQ-CYBMUJFWSA-N	1	0	357.252	1.149	20	30		FDEDRO
C[C@](O)(C[C@@H](O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)C1CC1	ZINC000600846262	553321563	/nfs/dbraw/zinc/32/15/63/553321563.db2.gz	OTZPGBVWTIZSJB-RTWAWAEBSA-N	1	0	357.498	1.978	20	30		FDEDRO
CCC1([NH+](C)C)CCN([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1	ZINC000600888216	553324981	/nfs/dbraw/zinc/32/49/81/553324981.db2.gz	VWOOEOBXQLDZTF-KRWDZBQOSA-N	1	0	354.454	1.996	20	30		FDEDRO
C[NH+](C)CCn1cc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cn1	ZINC000601176696	553356455	/nfs/dbraw/zinc/35/64/55/553356455.db2.gz	LJLHFDJTTWQGAL-LJQANCHMSA-N	1	0	366.469	1.295	20	30		FDEDRO
C[NH+](C)CCn1cc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cn1	ZINC000601176694	553356558	/nfs/dbraw/zinc/35/65/58/553356558.db2.gz	LJLHFDJTTWQGAL-IBGZPJMESA-N	1	0	366.469	1.295	20	30		FDEDRO
COCC[N@H+](C)CCN1C[C@@H](Nc2nc3ncccc3cc2C#N)CC1=O	ZINC000601178752	553356725	/nfs/dbraw/zinc/35/67/25/553356725.db2.gz	YOGCEYDDKPPBJK-INIZCTEOSA-N	1	0	368.441	1.092	20	30		FDEDRO
COCC[N@H+](C)CCN1C[C@H](Nc2nc3ncccc3cc2C#N)CC1=O	ZINC000601178753	553356810	/nfs/dbraw/zinc/35/68/10/553356810.db2.gz	YOGCEYDDKPPBJK-MRXNPFEDSA-N	1	0	368.441	1.092	20	30		FDEDRO
C[NH+]1CCN(CCCS(=O)(=O)N[C@H]2CCc3cc(C#N)ccc32)CC1	ZINC000601406227	553396884	/nfs/dbraw/zinc/39/68/84/553396884.db2.gz	ZHQBMVZSUIZYMM-SFHVURJKSA-N	1	0	362.499	1.102	20	30		FDEDRO
N#CCCN1CCN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1	ZINC000601572182	553437871	/nfs/dbraw/zinc/43/78/71/553437871.db2.gz	PJMDCKRDHBRHQV-HXUWFJFHSA-N	1	0	369.513	1.792	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(CCC#N)CC2)[C@H](C)C1	ZINC000601575806	553438448	/nfs/dbraw/zinc/43/84/48/553438448.db2.gz	JYVXEYXWKXAQMB-QZTJIDSGSA-N	1	0	365.522	1.364	20	30		FDEDRO
N#CCCN1CCN(C(=O)NCc2nccn2CCc2ccccc2)CC1	ZINC000601584306	553439944	/nfs/dbraw/zinc/43/99/44/553439944.db2.gz	CKCYDINDIVGLPV-UHFFFAOYSA-N	1	0	366.469	1.867	20	30		FDEDRO
N#Cc1c(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[nH]nc1N1CCOCC1	ZINC000601739225	553466525	/nfs/dbraw/zinc/46/65/25/553466525.db2.gz	GLUOURKTQGGTQS-INIZCTEOSA-N	1	0	372.473	1.854	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H](n2cncn2)C(F)(F)F)cc1	ZINC000601970165	553497675	/nfs/dbraw/zinc/49/76/75/553497675.db2.gz	YZVBIPPJLMGTDB-JSGCOSHPSA-N	1	0	355.320	1.283	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCO[C@@H](C(F)F)CC2)CC1	ZINC000601978540	553498653	/nfs/dbraw/zinc/49/86/53/553498653.db2.gz	YQDSWOBRNDBJMT-LSDHHAIUSA-N	1	0	358.433	1.035	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1	ZINC000602059449	553510648	/nfs/dbraw/zinc/51/06/48/553510648.db2.gz	ZTVSISSKAKTKBZ-UHFFFAOYSA-N	1	0	370.453	1.982	20	30		FDEDRO
CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N(C)[C@H]2CCC[C@H]2C#N)CC1	ZINC000602066876	553512100	/nfs/dbraw/zinc/51/21/00/553512100.db2.gz	KCYRQKUSAGIXGZ-HOCLYGCPSA-N	1	0	372.473	1.629	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@H]3Cc4cncn4C3)CC2)c1	ZINC000602331795	553564788	/nfs/dbraw/zinc/56/47/88/553564788.db2.gz	JCIMSFBFUAHPFW-SFHVURJKSA-N	1	0	364.453	1.643	20	30		FDEDRO
N#CCc1ccc(CNC(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)cc1	ZINC000602514570	553596876	/nfs/dbraw/zinc/59/68/76/553596876.db2.gz	NXKRXEUAFXKSAG-ZDUSSCGKSA-N	1	0	360.368	1.746	20	30		FDEDRO
CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)c1	ZINC000602530519	553599954	/nfs/dbraw/zinc/59/99/54/553599954.db2.gz	RKWHFXDEQQZQCS-AWEZNQCLSA-N	1	0	351.472	1.783	20	30		FDEDRO
CC(C)(O)C[NH+]1CCC(N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000602595492	553609426	/nfs/dbraw/zinc/60/94/26/553609426.db2.gz	BFJYATAZDPMBKQ-LJQANCHMSA-N	1	0	370.497	1.879	20	30		FDEDRO
CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)CC2(C#N)CCOCC2)CC1	ZINC000602613851	553612086	/nfs/dbraw/zinc/61/20/86/553612086.db2.gz	QVUPLEGUCYIGAD-OAHLLOKOSA-N	1	0	357.520	1.737	20	30		FDEDRO
CCOC(=O)c1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[nH]1	ZINC000602633552	553615768	/nfs/dbraw/zinc/61/57/68/553615768.db2.gz	YLMMYFUGMFWTKN-KRWDZBQOSA-N	1	0	366.421	1.954	20	30		FDEDRO
CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2cccc(C#N)n2)CC1	ZINC000602665171	553620444	/nfs/dbraw/zinc/62/04/44/553620444.db2.gz	RWERZVQKVSLUIZ-CQSZACIVSA-N	1	0	350.488	1.835	20	30		FDEDRO
N#CC[C@]1(O)CCN(C[C@@H](C[N@@H+]2CC[C@](O)(CC#N)C2)c2ccccc2)C1	ZINC000602850935	553650783	/nfs/dbraw/zinc/65/07/83/553650783.db2.gz	INEGGMPKCVHTHI-MZADTFQBSA-N	1	0	368.481	1.471	20	30		FDEDRO
N#Cc1cccc(C2([NH2+]C[C@@H](O)CC3(O)CCOCC3)CCOCC2)c1	ZINC000602894911	553663713	/nfs/dbraw/zinc/66/37/13/553663713.db2.gz	JPSSBGRDICJACV-SFHVURJKSA-N	1	0	360.454	1.446	20	30		FDEDRO
C[C@]1(CO)C[C@H](O)CN1CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000602905438	553665688	/nfs/dbraw/zinc/66/56/88/553665688.db2.gz	GEKOIGYPDHGXKI-DOTOQJQBSA-N	1	0	351.834	1.404	20	30		FDEDRO
N#Cc1ccc(C2CCN(CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)nc1	ZINC000602910456	553667058	/nfs/dbraw/zinc/66/70/58/553667058.db2.gz	RRPKLSQPNUFYIZ-UHFFFAOYSA-N	1	0	367.497	1.876	20	30		FDEDRO
Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CCOc2ccccc2C#N)cn1	ZINC000602945158	553676415	/nfs/dbraw/zinc/67/64/15/553676415.db2.gz	XUNKXERYVWWZPT-KRWDZBQOSA-N	1	0	353.426	1.565	20	30		FDEDRO
COC[C@@]1(C(=O)OC(C)(C)C)CC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1	ZINC000602961326	553681186	/nfs/dbraw/zinc/68/11/86/553681186.db2.gz	NNOSOBSLCUFJEE-RDTXWAMCSA-N	1	0	365.474	1.618	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@](COC)(C(=O)OC(C)(C)C)C1	ZINC000602961317	553681284	/nfs/dbraw/zinc/68/12/84/553681284.db2.gz	NKGLAHVIUAWZDE-GOSISDBHSA-N	1	0	353.463	1.429	20	30		FDEDRO
N#Cc1cc(Br)ccc1CC(=O)N[C@@H](CO)C[NH+]1CCCC1	ZINC000603051413	553701419	/nfs/dbraw/zinc/70/14/19/553701419.db2.gz	CSFBHIDODXCOSN-OAHLLOKOSA-N	1	0	366.259	1.436	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C[C@@H](C)N1CC#N	ZINC000603102242	553708843	/nfs/dbraw/zinc/70/88/43/553708843.db2.gz	ZAEHBHFUMONZLG-LMMKCTJWSA-N	1	0	355.486	1.738	20	30		FDEDRO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)n1cc(C[C@H]2CC[NH2+]C2)nn1	ZINC000603194843	553729138	/nfs/dbraw/zinc/72/91/38/553729138.db2.gz	WQULTQJAWJWZTO-BWRBCVJASA-N	1	0	358.490	1.922	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)Cn1cc(CC[NH+]2CCCCC2)nn1	ZINC000603263942	553746935	/nfs/dbraw/zinc/74/69/35/553746935.db2.gz	IYWIVVNSCAEESR-SFHVURJKSA-N	1	0	355.442	1.618	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1N1C[C@@H]([NH+](C)C)[C@@H](SC)C1	ZINC000603331367	553765384	/nfs/dbraw/zinc/76/53/84/553765384.db2.gz	RTEHAGOIKMYVLS-CABCVRRESA-N	1	0	355.529	1.633	20	30		FDEDRO
N#Cc1ccc(C(F)(F)F)n(CC(=O)NC2CC[NH+](C3CC3)CC2)c1=O	ZINC000603374990	553774595	/nfs/dbraw/zinc/77/45/95/553774595.db2.gz	GWRDRGWDATUXHT-UHFFFAOYSA-N	1	0	368.359	1.482	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)CC1	ZINC000603885029	553824257	/nfs/dbraw/zinc/82/42/57/553824257.db2.gz	VZGQPFCBXBQOEU-UHFFFAOYSA-N	1	0	362.861	1.954	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)OCCCO3)CC1	ZINC000608533224	554283372	/nfs/dbraw/zinc/28/33/72/554283372.db2.gz	UZQYSZYRXFKPRR-UHFFFAOYSA-N	1	0	359.426	1.553	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)[N@H+](C)C1CC1	ZINC000609213312	554350148	/nfs/dbraw/zinc/35/01/48/554350148.db2.gz	ULHLEUNPAZGKKF-ZDUSSCGKSA-N	1	0	372.473	1.738	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)NCCNc3cc[nH+]cc3)CC2)nc1	ZINC000609212847	554350179	/nfs/dbraw/zinc/35/01/79/554350179.db2.gz	BNTBVBSYPPNKGO-UHFFFAOYSA-N	1	0	365.441	1.150	20	30		FDEDRO
N#CCN1CCC(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1	ZINC000609336346	554367708	/nfs/dbraw/zinc/36/77/08/554367708.db2.gz	GKVYLRHOSBIDJQ-UHFFFAOYSA-N	1	0	356.474	1.333	20	30		FDEDRO
CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1	ZINC000609525823	554387343	/nfs/dbraw/zinc/38/73/43/554387343.db2.gz	LAKNSXIWLJWKIT-FQEVSTJZSA-N	1	0	369.513	1.623	20	30		FDEDRO
C[C@@H]([NH2+]C[C@H]1CCCN1c1cccnn1)C(=O)Nc1cccc(C#N)c1	ZINC000609574806	554395942	/nfs/dbraw/zinc/39/59/42/554395942.db2.gz	ZPIAVWQEFMFSST-RHSMWYFYSA-N	1	0	350.426	1.934	20	30		FDEDRO
C[C@@H](CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)C[NH+]1CCN(C)CC1	ZINC000609623888	554404148	/nfs/dbraw/zinc/40/41/48/554404148.db2.gz	FSLKZICNJAGYOS-PXNSSMCTSA-N	1	0	369.513	1.527	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]2C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1	ZINC000610242434	554477245	/nfs/dbraw/zinc/47/72/45/554477245.db2.gz	IXVAWHMDPOBHCS-QUCCMNQESA-N	1	0	368.481	1.708	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(C(=O)NC3CCN(CC#N)CC3)cc2)CC1	ZINC000610338209	554493656	/nfs/dbraw/zinc/49/36/56/554493656.db2.gz	QYYPVCRSPNETTK-UHFFFAOYSA-N	1	0	355.486	1.546	20	30		FDEDRO
Cc1nnc([C@@H]2CCC[N@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)[nH]1	ZINC000610764358	554559538	/nfs/dbraw/zinc/55/95/38/554559538.db2.gz	NYSFMWCYKJACNO-SJORKVTESA-N	1	0	355.442	1.799	20	30		FDEDRO
COC(=O)C[C@H]1CSCC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000610781380	554561605	/nfs/dbraw/zinc/56/16/05/554561605.db2.gz	RCMOWZKARJDTOL-JKSUJKDBSA-N	1	0	364.467	1.473	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)CC1	ZINC000610986779	554591015	/nfs/dbraw/zinc/59/10/15/554591015.db2.gz	SKHAYMVOJRJHIF-SNVBAGLBSA-N	1	0	355.364	1.638	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(C[C@H](O)COc3ccc(CC#N)cc3)CC2)C1	ZINC000610988663	554591459	/nfs/dbraw/zinc/59/14/59/554591459.db2.gz	JSYIIZKITCDZOP-PMACEKPBSA-N	1	0	372.513	1.204	20	30		FDEDRO
C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN(CCC#N)CC1	ZINC000611175600	554612608	/nfs/dbraw/zinc/61/26/08/554612608.db2.gz	JCLQJDXVJAVYLX-AZUAARDMSA-N	1	0	369.513	1.297	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](n3ccnc3)C2)CC1	ZINC000611371596	554629146	/nfs/dbraw/zinc/62/91/46/554629146.db2.gz	CMOUKDZTDABCCS-MSOLQXFVSA-N	1	0	358.490	1.212	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCc3ccc(O)cc3CC2)CC1	ZINC000611372543	554629224	/nfs/dbraw/zinc/62/92/24/554629224.db2.gz	HTLCCFLZGHKWTB-HXUWFJFHSA-N	1	0	370.497	1.485	20	30		FDEDRO
C[C@H]1COCCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000611431153	554632760	/nfs/dbraw/zinc/63/27/60/554632760.db2.gz	VQCXVKSENQQDGE-QFBILLFUSA-N	1	0	374.460	1.645	20	30		FDEDRO
COC[C@H]1CCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000611430099	554632976	/nfs/dbraw/zinc/63/29/76/554632976.db2.gz	ZJAYUXQVMUYOLJ-RTBURBONSA-N	1	0	374.460	1.645	20	30		FDEDRO
CC(C)(CO)[NH+]1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000611516697	554640685	/nfs/dbraw/zinc/64/06/85/554640685.db2.gz	ZSBLVTHHHGIPRM-SFHVURJKSA-N	1	0	356.470	1.442	20	30		FDEDRO
N#Cc1cc(CN2C(=O)N[C@]3(CC[N@H+](Cc4ccccc4)C3)C2=O)ccn1	ZINC000613407867	554922296	/nfs/dbraw/zinc/92/22/96/554922296.db2.gz	YQNNHFRYNQJAOB-FQEVSTJZSA-N	1	0	361.405	1.650	20	30		FDEDRO
CC(C)Oc1cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)ccn1	ZINC000615155998	555168286	/nfs/dbraw/zinc/16/82/86/555168286.db2.gz	ASQIWQXPXFHPLG-UHFFFAOYSA-N	1	0	361.446	1.501	20	30		FDEDRO
N#C[C@]1(F)CCN(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000615534935	555208854	/nfs/dbraw/zinc/20/88/54/555208854.db2.gz	HYNHOOOWFLBHGU-HXUWFJFHSA-N	1	0	373.476	1.841	20	30		FDEDRO
CN1CC[NH+](CCCCNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC1	ZINC000618816199	555680820	/nfs/dbraw/zinc/68/08/20/555680820.db2.gz	IIFSRMBXIVJJSQ-LJQANCHMSA-N	1	0	355.486	1.872	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC2(C[NH+](C)C2)C1	ZINC000618921285	555695896	/nfs/dbraw/zinc/69/58/96/555695896.db2.gz	VQPZEAKYVXZSME-UHFFFAOYSA-N	1	0	352.442	1.315	20	30		FDEDRO
N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1	ZINC000619363715	555768686	/nfs/dbraw/zinc/76/86/86/555768686.db2.gz	DOIJNTKERQRXRY-VQTJNVASSA-N	1	0	366.465	1.954	20	30		FDEDRO
N#Cc1ccc(C[C@H](C#N)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1	ZINC000619381974	555769942	/nfs/dbraw/zinc/76/99/42/555769942.db2.gz	RITILEBJUSBWIB-IEBWSBKVSA-N	1	0	352.438	1.610	20	30		FDEDRO
CC(C)[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)C(=O)N(C)Cc1nnc2n1CCC2	ZINC000619431968	555775666	/nfs/dbraw/zinc/77/56/66/555775666.db2.gz	HXKXDOWBPZYSQB-DAYGRLMNSA-N	1	0	358.490	1.879	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3cccc(CC#N)c3)CC2)C1	ZINC000619483986	555785429	/nfs/dbraw/zinc/78/54/29/555785429.db2.gz	IHNGJSVEHGKUOC-QGZVFWFLSA-N	1	0	362.499	1.153	20	30		FDEDRO
Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@H](C)n2cnc(C#N)n2)CC1	ZINC000619610798	555808502	/nfs/dbraw/zinc/80/85/02/555808502.db2.gz	WORCGRIOJLSFKE-INIZCTEOSA-N	1	0	352.442	1.754	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[NH2+][C@H](C1CC1)[C@@]1(CO)CCCO1	ZINC000625449373	556810297	/nfs/dbraw/zinc/81/02/97/556810297.db2.gz	BTMFOUCDBATDSP-NQIIRXRSSA-N	1	0	368.433	1.196	20	30		FDEDRO
C=CC[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)C1	ZINC000625702712	556906641	/nfs/dbraw/zinc/90/66/41/556906641.db2.gz	GUMDVITVKCRMRU-AWEZNQCLSA-N	1	0	351.472	1.740	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1	ZINC000626849763	557195140	/nfs/dbraw/zinc/19/51/40/557195140.db2.gz	GPRHWBMFVKATIZ-OAHLLOKOSA-N	1	0	371.441	1.333	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1	ZINC000626888287	557215284	/nfs/dbraw/zinc/21/52/84/557215284.db2.gz	KTKLTJAAQRFBSA-IUODEOHRSA-N	1	0	359.430	1.189	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1	ZINC000627120306	557280599	/nfs/dbraw/zinc/28/05/99/557280599.db2.gz	ATALEQFDLNVQJM-HZPDHXFCSA-N	1	0	350.507	1.879	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000632559916	558178025	/nfs/dbraw/zinc/17/80/25/558178025.db2.gz	OEEOHUGCWNSWIF-QGZVFWFLSA-N	1	0	365.518	1.666	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1	ZINC000636808748	568104626	/nfs/dbraw/zinc/10/46/26/568104626.db2.gz	NFYBKLJBHDNACJ-SFHVURJKSA-N	1	0	373.497	1.588	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)ccc1F	ZINC000272343085	674433632	/nfs/dbraw/zinc/43/36/32/674433632.db2.gz	XFCAKOQKIUGBRH-AAEUAGOBSA-N	1	0	355.435	1.099	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1	ZINC000272950799	674491512	/nfs/dbraw/zinc/49/15/12/674491512.db2.gz	DLVMBPUUKZYRIJ-KRWDZBQOSA-N	1	0	351.472	1.270	20	30		FDEDRO
CN(C(=[NH2+])NCCCNC(=O)c1cccc(Br)c1)C1CC1	ZINC000273311563	674526735	/nfs/dbraw/zinc/52/67/35/674526735.db2.gz	CAKWOKJGVBDQHW-UHFFFAOYSA-N	1	0	353.264	1.978	20	30		FDEDRO
C[NH+](C)CCCNC(=S)NN=Cc1c[nH]c2ccc(-c3nn[nH]n3)cc12	ZINC000821584730	607148467	/nfs/dbraw/zinc/14/84/67/607148467.db2.gz	QMCOANSKSJPEDJ-UHFFFAOYSA-N	1	0	371.474	1.098	20	30		FDEDRO
C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C[N@@H+](C)[C@@H]1CCSC1	ZINC000823909970	608120057	/nfs/dbraw/zinc/12/00/57/608120057.db2.gz	UPBJPGRDJNFUHZ-MRXNPFEDSA-N	1	0	372.498	1.819	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1	ZINC000824531701	608481303	/nfs/dbraw/zinc/48/13/03/608481303.db2.gz	QQNSXMHXBPYSIN-FHSNZYRGSA-N	1	0	355.446	1.960	20	30		FDEDRO
C[C@@H](C#N)CNC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1	ZINC000824033816	609411078	/nfs/dbraw/zinc/41/10/78/609411078.db2.gz	BQDIFYNRAVUTJL-ZDUSSCGKSA-N	1	0	356.434	1.100	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+](C)[C@@H](C)C[S@](C)=O)c(OC)c1	ZINC000274437878	674592273	/nfs/dbraw/zinc/59/22/73/674592273.db2.gz	IISLXVBXXHUWMV-RLZCXYDISA-N	1	0	355.500	1.862	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC2(CC(C(=O)OC)=NO2)CC1	ZINC000274624972	674594509	/nfs/dbraw/zinc/59/45/09/674594509.db2.gz	UDGKREGTIOYKPN-AWEZNQCLSA-N	1	0	351.447	1.583	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)CCc2ncc(C)s2)CC1	ZINC000286453608	675895745	/nfs/dbraw/zinc/89/57/45/675895745.db2.gz	HRUOZBCFOBGMRG-UHFFFAOYSA-N	1	0	350.488	1.219	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2c(Cl)cccc2OC)CC1	ZINC000286505333	675896583	/nfs/dbraw/zinc/89/65/83/675896583.db2.gz	KNUWTQKHJZDQKF-UHFFFAOYSA-N	1	0	365.861	1.731	20	30		FDEDRO
COc1ccc(N2CC[NH+](CCCNC(=O)CSCC#N)CC2)cc1	ZINC000041778474	670904149	/nfs/dbraw/zinc/90/41/49/670904149.db2.gz	WVIRFKAPZITDDJ-UHFFFAOYSA-N	1	0	362.499	1.580	20	30		FDEDRO
CS(=O)(=O)NCC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1	ZINC000051188312	671121505	/nfs/dbraw/zinc/12/15/05/671121505.db2.gz	JWYJQDWLQRJOCD-UHFFFAOYSA-N	1	0	359.451	1.776	20	30		FDEDRO
CC(C)(C)[NH+]1CCC(N=Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1	ZINC000060798750	671289673	/nfs/dbraw/zinc/28/96/73/671289673.db2.gz	PVCKLJOJVBTQBY-UHFFFAOYSA-N	1	0	369.447	1.904	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2c2csc(C)n2)CC1	ZINC000286681458	675898187	/nfs/dbraw/zinc/89/81/87/675898187.db2.gz	OXWDKWPHPUFVII-MRXNPFEDSA-N	1	0	362.499	1.882	20	30		FDEDRO
C[NH+]=C(NCCc1cc(Cl)c2c(c1)OCCO2)NC[C@@H]1CCCO1	ZINC000072748398	671395585	/nfs/dbraw/zinc/39/55/85/671395585.db2.gz	XSCMBFQZHOQPDU-ZDUSSCGKSA-N	1	0	353.850	1.998	20	30		FDEDRO
C[C@@H]1C[C@H](C)CN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C[C@@H]2CCCO2)C1	ZINC000073731194	671403838	/nfs/dbraw/zinc/40/38/38/671403838.db2.gz	IFUFWEWQUJDMSI-YVSFHVDLSA-N	1	0	371.547	1.524	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)o1	ZINC000286736145	675901703	/nfs/dbraw/zinc/90/17/03/675901703.db2.gz	CMAQALLHWNAGRW-MRXNPFEDSA-N	1	0	359.451	1.994	20	30		FDEDRO
C[NH+]=C(NCC[S@@](=O)C(C)(C)C)N1CCN(c2ccccn2)CC1	ZINC000088694460	671490652	/nfs/dbraw/zinc/49/06/52/671490652.db2.gz	IDSZVHRHVRHXSP-DEOSSOPVSA-N	1	0	351.520	1.326	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)CS(=O)(=O)NC1CCC(C)CC1	ZINC000121570524	671707331	/nfs/dbraw/zinc/70/73/31/671707331.db2.gz	KCJNZPCVWQOYRD-AQFXKWCLSA-N	1	0	372.531	1.761	20	30		FDEDRO
CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2cccc(F)c2C#N)CC1	ZINC000122258575	671714768	/nfs/dbraw/zinc/71/47/68/671714768.db2.gz	DCVYOCLJMNKKLO-CQSZACIVSA-N	1	0	368.478	1.249	20	30		FDEDRO
C=CCn1nnn(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1=S	ZINC000124674613	671740246	/nfs/dbraw/zinc/74/02/46/671740246.db2.gz	GHTGVNMWELPYQY-XYPWUTKMSA-N	1	0	363.535	1.195	20	30		FDEDRO
[NH2+]=C(NCCNS(=O)(=O)c1ccc(Cl)s1)N1CCSCC1	ZINC000130679629	671796567	/nfs/dbraw/zinc/79/65/67/671796567.db2.gz	LAOMLHBPHGMQFO-UHFFFAOYSA-N	1	0	368.937	1.043	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)cc1OCCCC#N	ZINC000147137893	671854075	/nfs/dbraw/zinc/85/40/75/671854075.db2.gz	JYSDZMKZCQLYEI-HNNXBMFYSA-N	1	0	352.456	1.902	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CCCCC[NH3+])c1	ZINC000154604856	671925390	/nfs/dbraw/zinc/92/53/90/671925390.db2.gz	QBTXJCRXWGABKE-CAPFRKAQSA-N	1	0	366.487	1.957	20	30		FDEDRO
C[NH+]=C(NCc1ccccc1S(=O)(=O)N(C)C)NC[C@@H]1CCCS1	ZINC000157334678	671967931	/nfs/dbraw/zinc/96/79/31/671967931.db2.gz	APTJFNYLZBHDMN-AWEZNQCLSA-N	1	0	370.544	1.498	20	30		FDEDRO
CC[NH+]=C(NCc1nc(C)c(C)s1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158610224	671981419	/nfs/dbraw/zinc/98/14/19/671981419.db2.gz	AFBNJKPFBVRJIV-UHFFFAOYSA-N	1	0	358.533	1.734	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@@H+](CC)Cc1cc(Br)ccc1O	ZINC000174424661	672094168	/nfs/dbraw/zinc/09/41/68/672094168.db2.gz	HCBUJUCTYSKHGC-UHFFFAOYSA-N	1	0	370.247	1.988	20	30		FDEDRO
C#CCSCCNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	ZINC000175444909	672103988	/nfs/dbraw/zinc/10/39/88/672103988.db2.gz	QEVMFIGFPPJVDD-UHFFFAOYSA-N	1	0	353.532	1.935	20	30		FDEDRO
CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@H]1CCN(c2cccc(Cl)c2)C1	ZINC000185526514	672260967	/nfs/dbraw/zinc/26/09/67/672260967.db2.gz	JDCRCLWNLZGTGH-HNNXBMFYSA-N	1	0	365.909	1.951	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])ccc1F	ZINC000237834179	672428890	/nfs/dbraw/zinc/42/88/90/672428890.db2.gz	VTUWXZALNYHKJR-TZMCWYRMSA-N	1	0	355.435	1.147	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])ccc1F	ZINC000237888320	672429864	/nfs/dbraw/zinc/42/98/64/672429864.db2.gz	IXAHNOSPOCCKCW-ZFWWWQNUSA-N	1	0	369.462	1.537	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1	ZINC000249244694	672552606	/nfs/dbraw/zinc/55/26/06/672552606.db2.gz	TXGCLGTVKVHSNT-IAGOWNOFSA-N	1	0	351.491	1.370	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000261652381	672643540	/nfs/dbraw/zinc/64/35/40/672643540.db2.gz	BEKYZMFXFWOEIG-IMJJTQAJSA-N	1	0	350.507	1.707	20	30		FDEDRO
C[NH+]=C(NC[C@]1(C)CCOC1)N[C@H]1CCN(c2ncccc2Cl)C1	ZINC000261742363	672663027	/nfs/dbraw/zinc/66/30/27/672663027.db2.gz	KVSLGSWCVHEGGT-GUYCJALGSA-N	1	0	351.882	1.905	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(-c2nc(C[C@H](C)[NH2+]C)no2)ccc1F	ZINC000261908336	672692131	/nfs/dbraw/zinc/69/21/31/672692131.db2.gz	ZIMANJBUWNDTSI-JTQLQIEISA-N	1	0	354.407	1.490	20	30		FDEDRO
C[NH+]=C(NCC1CCSCC1)N[C@H]1CCc2nc(COC)nn2C1	ZINC000261938799	672697606	/nfs/dbraw/zinc/69/76/06/672697606.db2.gz	CZQZCSMZARAQKT-ZDUSSCGKSA-N	1	0	352.508	1.048	20	30		FDEDRO
C[NH+]=C(NCC1(CO)CCOCC1)N(C)Cc1nc2c(s1)CCCC2	ZINC000261942553	672698365	/nfs/dbraw/zinc/69/83/65/672698365.db2.gz	KRUDVAPFJJRYSD-UHFFFAOYSA-N	1	0	366.531	1.818	20	30		FDEDRO
CC[NH+]=C(NCCN(C)c1ccccc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261951097	672700213	/nfs/dbraw/zinc/70/02/13/672700213.db2.gz	HKTZYPSBKHLJOM-UHFFFAOYSA-N	1	0	366.531	1.597	20	30		FDEDRO
C[NH+]=C(NCc1ccc([C@@H](C)O)cc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261958947	672702135	/nfs/dbraw/zinc/70/21/35/672702135.db2.gz	JOFZKMGCZPPOMT-CYBMUJFWSA-N	1	0	353.488	1.324	20	30		FDEDRO
CC[NH+]=C(NCCC(=O)NC1CCCCC1)N1CC[C@]2(CCOC2)C1	ZINC000261959866	672702483	/nfs/dbraw/zinc/70/24/83/672702483.db2.gz	JVMDRRRICINKID-IBGZPJMESA-N	1	0	350.507	1.903	20	30		FDEDRO
CCC[C@]1(C)CCCN(C(NC[C@H]2CCCN2S(C)(=O)=O)=[NH+]C)C1	ZINC000261983711	672707141	/nfs/dbraw/zinc/70/71/41/672707141.db2.gz	RRRYMXDNPREJEB-NVXWUHKLSA-N	1	0	358.552	1.888	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)Cc1ccccc1)N1CC[C@@]2(CCOC2)C1	ZINC000262010010	672711527	/nfs/dbraw/zinc/71/15/27/672711527.db2.gz	WJPCNEDPYSUVLL-GOSISDBHSA-N	1	0	365.499	1.289	20	30		FDEDRO
CCC[C@]1(C)CCCN(C(NC[C@H]2CCN(S(C)(=O)=O)C2)=[NH+]C)C1	ZINC000262016372	672712250	/nfs/dbraw/zinc/71/22/50/672712250.db2.gz	VTBFWVRBILGOEZ-NVXWUHKLSA-N	1	0	358.552	1.746	20	30		FDEDRO
C=C(C)CNC(=[NH2+])NCC1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000262015039	672712282	/nfs/dbraw/zinc/71/22/82/672712282.db2.gz	VQCXDOMBEVSTFO-UHFFFAOYSA-N	1	0	350.488	1.568	20	30		FDEDRO
O=S1(=O)CC[C@@H](CNC(N[C@H]2CCc3ccccc3C2)=[NH+]C2CC2)C1	ZINC000262250068	672754816	/nfs/dbraw/zinc/75/48/16/672754816.db2.gz	QJRMJBVEDOIKQA-KSSFIOAISA-N	1	0	361.511	1.676	20	30		FDEDRO
CN(C)C(=O)CNC(NCc1ccc(Cl)cn1)=[NH+]C1CCOCC1	ZINC000262298343	672764613	/nfs/dbraw/zinc/76/46/13/672764613.db2.gz	MZIIZGBMRXOTOB-UHFFFAOYSA-N	1	0	353.854	1.037	20	30		FDEDRO
CN(C)C(NCc1ccccc1)=[NH+]C[C@@H]1CCC[C@H]1NS(C)(=O)=O	ZINC000262326530	672770331	/nfs/dbraw/zinc/77/03/31/672770331.db2.gz	AARSWEFOHAVIOJ-JKSUJKDBSA-N	1	0	352.504	1.412	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(N[C@@H]2CCO[C@H](C3CC3)C2)=[NH+]C2CC2)C1	ZINC000262377350	672779572	/nfs/dbraw/zinc/77/95/72/672779572.db2.gz	JTAGGYOLNUTRTQ-WQVCFCJDSA-N	1	0	355.504	1.076	20	30		FDEDRO
C#CCNC(N[C@H]1CCOc2ccccc21)=[NH+]C[C@@H]1CCS(=O)(=O)C1	ZINC000262387238	672781243	/nfs/dbraw/zinc/78/12/43/672781243.db2.gz	LPBPNNHLMGSCOE-HOCLYGCPSA-N	1	0	361.467	1.113	20	30		FDEDRO
CC[C@H](C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](N2CC=CC2)C1	ZINC000262405602	672784016	/nfs/dbraw/zinc/78/40/16/672784016.db2.gz	OKGRIXOEEBTVSP-YESZJQIVSA-N	1	0	368.547	1.111	20	30		FDEDRO
C[C@]1(CNC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)CCCO1	ZINC000262424540	672787319	/nfs/dbraw/zinc/78/73/19/672787319.db2.gz	RJWGAWKXXAQDFA-WMLDXEAASA-N	1	0	357.520	1.468	20	30		FDEDRO
CS(=O)(=O)C1(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CCC1	ZINC000262428559	672787981	/nfs/dbraw/zinc/78/79/81/672787981.db2.gz	DIDHUBJGXHJAEK-UHFFFAOYSA-N	1	0	353.444	1.542	20	30		FDEDRO
CS(=O)(=O)C1(CNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)CCC1	ZINC000262432842	672788800	/nfs/dbraw/zinc/78/88/00/672788800.db2.gz	FPIZMXJUYDFLDV-UHFFFAOYSA-N	1	0	368.478	1.230	20	30		FDEDRO
C[NH+]=C(NCC(=O)N1CCCCC1)NCc1nc(C(F)(F)F)cs1	ZINC000262451952	672791802	/nfs/dbraw/zinc/79/18/02/672791802.db2.gz	DWBBGNYAZYGVJR-UHFFFAOYSA-N	1	0	363.409	1.839	20	30		FDEDRO
COC[C@@H]1CCN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCCC2)C1	ZINC000262454585	672792334	/nfs/dbraw/zinc/79/23/34/672792334.db2.gz	WNONQBHNRYFQRZ-JKSUJKDBSA-N	1	0	371.547	1.668	20	30		FDEDRO
CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21	ZINC000262454709	672792572	/nfs/dbraw/zinc/79/25/72/672792572.db2.gz	WOXJYEUHBIUZNZ-BPLDGKMQSA-N	1	0	366.487	1.132	20	30		FDEDRO
CC(C)C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](O)C(C)(C)C1	ZINC000262467280	672794781	/nfs/dbraw/zinc/79/47/81/672794781.db2.gz	YLRGKEWRMYYGLF-LSDHHAIUSA-N	1	0	359.536	1.116	20	30		FDEDRO
CN(C)C(NCc1ccccc1)=[NH+]C[C@H]1CCCCN1S(C)(=O)=O	ZINC000262479901	672796590	/nfs/dbraw/zinc/79/65/90/672796590.db2.gz	CWVKTGZKVAGPSX-MRXNPFEDSA-N	1	0	352.504	1.508	20	30		FDEDRO
C[NH+]=C(NCCNS(C)(=O)=O)N[C@@H](C)c1ccc(Cl)cc1Cl	ZINC000262576180	672810268	/nfs/dbraw/zinc/81/02/68/672810268.db2.gz	OKCJAKFUHHPEGA-VIFPVBQESA-N	1	0	367.302	1.769	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NC[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1	ZINC000262675913	672828946	/nfs/dbraw/zinc/82/89/46/672828946.db2.gz	TZJDZEBZSVPILA-SWLSCSKDSA-N	1	0	354.476	1.530	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NC[C@H]2CCCCN2S(C)(=O)=O)cc1OC	ZINC000262684524	672829964	/nfs/dbraw/zinc/82/99/64/672829964.db2.gz	XTMCHSKEOOWALD-CYBMUJFWSA-N	1	0	370.475	1.245	20	30		FDEDRO
C[NH+]=C(NCCC(F)(F)F)N1CCS(=O)(=O)C2(CCCCC2)C1	ZINC000262757855	672843057	/nfs/dbraw/zinc/84/30/57/672843057.db2.gz	CFEHPUFQBPSSOO-UHFFFAOYSA-N	1	0	355.426	1.948	20	30		FDEDRO
CC[NH+]=C(NC[C@]1(N(C)C)CCSC1)N1CCC2(C1)CCOCC2	ZINC000262818385	672851274	/nfs/dbraw/zinc/85/12/74/672851274.db2.gz	WELCXFJBGHTEQL-GOSISDBHSA-N	1	0	354.564	1.892	20	30		FDEDRO
CO[C@H]1COCC[C@H]1CNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1	ZINC000263168761	672865220	/nfs/dbraw/zinc/86/52/20/672865220.db2.gz	RPZVAFVXVGAEIV-YOEHRIQHSA-N	1	0	366.893	1.828	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NC[C@@H](c1ccccc1Cl)N1CCOCC1	ZINC000264091602	672901044	/nfs/dbraw/zinc/90/10/44/672901044.db2.gz	LCCANWRGPJWQNR-CJNGLKHVSA-N	1	0	354.882	1.653	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(C(=O)COc2ccccc2Cl)CC1	ZINC000264224094	672904278	/nfs/dbraw/zinc/90/42/78/672904278.db2.gz	YRGSSLPHUQARPI-UHFFFAOYSA-N	1	0	363.845	1.003	20	30		FDEDRO
C[C@H](NS(=O)(=O)c1cccs1)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000264230153	672904562	/nfs/dbraw/zinc/90/45/62/672904562.db2.gz	JRVSTSSGVQRZPI-ZDUSSCGKSA-N	1	0	372.516	1.109	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C3N=NC(=S)N3CC)C2)CC1	ZINC000264404847	672912628	/nfs/dbraw/zinc/91/26/28/672912628.db2.gz	FJDSMXJSUBSOJC-OAHLLOKOSA-N	1	0	361.515	1.638	20	30		FDEDRO
COc1cc(C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)ccc1C#N	ZINC000289114502	676095245	/nfs/dbraw/zinc/09/52/45/676095245.db2.gz	DBPYXHRSFUDIEI-OAHLLOKOSA-N	1	0	351.472	1.670	20	30		FDEDRO
CCS(=O)(=O)NCCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1	ZINC000266965994	673225338	/nfs/dbraw/zinc/22/53/38/673225338.db2.gz	BHXFJQJRPTXYNC-UHFFFAOYSA-N	1	0	352.382	1.049	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCC[S@](=O)C(C)(C)C)cc1OC	ZINC000267420088	673301772	/nfs/dbraw/zinc/30/17/72/673301772.db2.gz	KFQNGTUXZQZULJ-DEOSSOPVSA-N	1	0	355.504	1.698	20	30		FDEDRO
C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H](C[NH3+])OC)nc1C	ZINC000289441690	676136373	/nfs/dbraw/zinc/13/63/73/676136373.db2.gz	AUCLCXRYGKZGKR-QMMMGPOBSA-N	1	0	354.461	1.097	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NCc1nc(-c2cccc(Br)c2)no1	ZINC000280751962	675453960	/nfs/dbraw/zinc/45/39/60/675453960.db2.gz	XKLURXALGBZELT-SECBINFHSA-N	1	0	368.235	1.938	20	30		FDEDRO
CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000281773242	675557462	/nfs/dbraw/zinc/55/74/62/675557462.db2.gz	BERZUIOMPSMCIU-UHFFFAOYSA-N	1	0	358.320	1.415	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000281799239	675561105	/nfs/dbraw/zinc/56/11/05/675561105.db2.gz	PVZOJXDNXQYGGE-RYRKJORJSA-N	1	0	364.515	1.823	20	30		FDEDRO
CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)N(C)C[C@@H](C)C#N	ZINC000282595042	675637383	/nfs/dbraw/zinc/63/73/83/675637383.db2.gz	ICWOQSVOLFEXPG-HNNXBMFYSA-N	1	0	352.504	1.906	20	30		FDEDRO
COc1ccccc1CNC(=[NH2+])NCCn1cc(Br)cn1	ZINC000285008836	675781189	/nfs/dbraw/zinc/78/11/89/675781189.db2.gz	IMDKHJLLENHYLC-UHFFFAOYSA-N	1	0	352.236	1.759	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc1	ZINC000286076324	675868769	/nfs/dbraw/zinc/86/87/69/675868769.db2.gz	MNJSSUPCGRNKTJ-HEHGZKQESA-N	1	0	351.472	1.267	20	30		FDEDRO
C[C@@H]1CN(CCCCNS(=O)(=O)c2ccc(C#N)c(F)c2)C[C@H](C)O1	ZINC000292554398	676301838	/nfs/dbraw/zinc/30/18/38/676301838.db2.gz	KJSFVUIEPPAAOD-OKILXGFUSA-N	1	0	369.462	1.865	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(Br)c1C	ZINC000293226181	676338883	/nfs/dbraw/zinc/33/88/83/676338883.db2.gz	CAPVLXLPKZJWFG-UHFFFAOYSA-N	1	0	366.259	1.767	20	30		FDEDRO
CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)c(F)c2)CC1	ZINC000293381137	676348249	/nfs/dbraw/zinc/34/82/49/676348249.db2.gz	LRFKWYBEASXARE-UHFFFAOYSA-N	1	0	369.462	1.865	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)NCCc1nc(C(=O)OCC)cs1	ZINC000296697070	676420327	/nfs/dbraw/zinc/42/03/27/676420327.db2.gz	DOSYEHJHWPHYHV-UHFFFAOYSA-N	1	0	352.460	1.117	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1	ZINC000298950763	676506547	/nfs/dbraw/zinc/50/65/47/676506547.db2.gz	CTWXNNHPDQIIOY-IRXDYDNUSA-N	1	0	361.467	1.216	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)NCc2ncnn2C(C)(C)C)CC1(C)C	ZINC000328634916	676600225	/nfs/dbraw/zinc/60/02/25/676600225.db2.gz	BTVDGCWRDVQLBB-UHFFFAOYSA-N	1	0	351.499	1.063	20	30		FDEDRO
CNS(=O)(=O)c1cccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1	ZINC000328658973	676600940	/nfs/dbraw/zinc/60/09/40/676600940.db2.gz	RYNMGJICVYOLLY-GJZGRUSLSA-N	1	0	352.460	1.357	20	30		FDEDRO
C[C@@H]1C[N@@H+](CC2CCN(C(=O)NC[C@@H]3COCCO3)CC2)C[C@H](C)O1	ZINC000328781462	676606806	/nfs/dbraw/zinc/60/68/06/676606806.db2.gz	UURMPBJAFSJRKP-HLLBOEOZSA-N	1	0	355.479	1.137	20	30		FDEDRO
C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)C1	ZINC000328983971	676615007	/nfs/dbraw/zinc/61/50/07/676615007.db2.gz	FWFVDGRTRJGDKM-CABCVRRESA-N	1	0	359.536	1.572	20	30		FDEDRO
C[C@H](CNC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)[N@@H+]1CCC[C@@H](C)C1	ZINC000329002009	676615722	/nfs/dbraw/zinc/61/57/22/676615722.db2.gz	XRGPUCXGMLFAEV-SNUQEOBHSA-N	1	0	350.463	1.988	20	30		FDEDRO
CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)C[C@@H]1C	ZINC000329013487	676616173	/nfs/dbraw/zinc/61/61/73/676616173.db2.gz	FJSHDMYVHKYMPG-RWMBFGLXSA-N	1	0	364.412	1.868	20	30		FDEDRO
C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1	ZINC000329023974	676616576	/nfs/dbraw/zinc/61/65/76/676616576.db2.gz	UPQSCOJKLKLVOZ-XUWVNRHRSA-N	1	0	359.536	1.428	20	30		FDEDRO
O=C(NC1CC[NH+](CC2CC2)CC1)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O	ZINC000329075764	676618482	/nfs/dbraw/zinc/61/84/82/676618482.db2.gz	BXUBFCPJWIZPBE-RCCFBDPRSA-N	1	0	351.491	1.637	20	30		FDEDRO
CN1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCOC4(CCSCC4)C3)C[C@@H]21	ZINC000329091543	676619521	/nfs/dbraw/zinc/61/95/21/676619521.db2.gz	WWOMYAXBVFWLOW-OWCLPIDISA-N	1	0	369.531	1.750	20	30		FDEDRO
Cc1noc([C@@H]2CN(C(=O)NCCC3CC[NH+](C)CC3)CCN2C)n1	ZINC000329122703	676621368	/nfs/dbraw/zinc/62/13/68/676621368.db2.gz	KZNDCLCAFSIJOR-HNNXBMFYSA-N	1	0	350.467	1.312	20	30		FDEDRO
C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1nc(CN2CCOCC2)cs1	ZINC000329131310	676621909	/nfs/dbraw/zinc/62/19/09/676621909.db2.gz	XRXJPCIQQJEHDG-QWHCGFSZSA-N	1	0	353.492	1.545	20	30		FDEDRO
CNc1snc(C)c1C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1	ZINC000329151681	676622772	/nfs/dbraw/zinc/62/27/72/676622772.db2.gz	AYJPKJDREDVVGY-GFCCVEGCSA-N	1	0	351.476	1.493	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[S@@](=O)CC2(C)C)C1	ZINC000329195912	676624413	/nfs/dbraw/zinc/62/44/13/676624413.db2.gz	SRLUEALRPKDOIN-OYLFLEFRSA-N	1	0	359.536	1.143	20	30		FDEDRO
O=C(CN1CCN(CC(F)(F)F)C(=O)C1)NC1CC[NH+](C2CC2)CC1	ZINC000329197231	676624725	/nfs/dbraw/zinc/62/47/25/676624725.db2.gz	VDOBKYUSYLJXTN-UHFFFAOYSA-N	1	0	362.396	1.276	20	30		FDEDRO
CCC(=O)N1CC[C@H](NC(=O)N2C[C@@H](OC)C[C@H]2C[NH+]2CCCC2)C1	ZINC000329203287	676625075	/nfs/dbraw/zinc/62/50/75/676625075.db2.gz	WFRGNCHYOSNBCE-JYJNAYRXSA-N	1	0	352.479	1.096	20	30		FDEDRO
CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)C1	ZINC000329208023	676625369	/nfs/dbraw/zinc/62/53/69/676625369.db2.gz	FJVKDULUQJWMEZ-QFBILLFUSA-N	1	0	350.507	1.823	20	30		FDEDRO
Cc1nc(CCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cs1	ZINC000329212385	676625468	/nfs/dbraw/zinc/62/54/68/676625468.db2.gz	ZVXAPXZCALLLJD-UHFFFAOYSA-N	1	0	365.503	1.148	20	30		FDEDRO
CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC[C@H]2CCCCS2(=O)=O)C1	ZINC000329211445	676625509	/nfs/dbraw/zinc/62/55/09/676625509.db2.gz	ZFCHRFISWJLKBL-HRCADAONSA-N	1	0	373.519	1.053	20	30		FDEDRO
C[C@H](CNC(=O)N1CC[C@H](C(=O)N2CCCC2)C1)[N@@H+]1CCC[C@@H](C)C1	ZINC000329246438	676628536	/nfs/dbraw/zinc/62/85/36/676628536.db2.gz	VSPXINXTLXXEBT-ZACQAIPSSA-N	1	0	350.507	1.965	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)N2CCN(CC(F)(F)F)C(=O)C2)CCSC1	ZINC000329247972	676628544	/nfs/dbraw/zinc/62/85/44/676628544.db2.gz	WLSNHCQSLVOLAT-ZDUSSCGKSA-N	1	0	368.425	1.044	20	30		FDEDRO
C[NH+](C)C[C@H]1CCN(C(=O)Nc2nc(CN3CCOCC3)cs2)C1	ZINC000329248967	676628556	/nfs/dbraw/zinc/62/85/56/676628556.db2.gz	ANSOHFQHAHWEPE-CYBMUJFWSA-N	1	0	353.492	1.404	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)[C@@H]2CCCC[C@H]21	ZINC000329332287	676633649	/nfs/dbraw/zinc/63/36/49/676633649.db2.gz	ZUVOMWFJDUNRIT-YIYPIFLZSA-N	1	0	357.476	1.555	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1	ZINC000329385676	676636485	/nfs/dbraw/zinc/63/64/85/676636485.db2.gz	PJQUIRAGJUDGMR-INMHGKMJSA-N	1	0	373.519	1.101	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1CCCN1C(=O)Cc1cccs1	ZINC000329389226	676636694	/nfs/dbraw/zinc/63/66/94/676636694.db2.gz	UJFMGOZHSZOSQQ-GDBMZVCRSA-N	1	0	364.515	1.484	20	30		FDEDRO
C[C@H](NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)[C@H]1CCCOC1	ZINC000329389602	676636704	/nfs/dbraw/zinc/63/67/04/676636704.db2.gz	RYBPXKGDSGOJCA-HOTGVXAUSA-N	1	0	352.523	1.864	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)N1CCOCC2(CC2)C1	ZINC000329482315	676640710	/nfs/dbraw/zinc/64/07/10/676640710.db2.gz	WDFCHUVXIRXJCL-IAGOWNOFSA-N	1	0	351.491	1.781	20	30		FDEDRO
O=C(N[C@@H]1CCCCNC1=O)N1CCC(OCC[NH+]2CCCC2)CC1	ZINC000329483107	676640986	/nfs/dbraw/zinc/64/09/86/676640986.db2.gz	FAXRJWLMOKRGAW-MRXNPFEDSA-N	1	0	352.479	1.986	20	30		FDEDRO
CC(C)CNC(=O)N1CCC[C@H](C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1	ZINC000329568627	676644365	/nfs/dbraw/zinc/64/43/65/676644365.db2.gz	LPZRPEKAGJWAHC-JKSUJKDBSA-N	1	0	353.511	1.471	20	30		FDEDRO
CS(=O)(=O)C1(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCCC1	ZINC000329613311	676646048	/nfs/dbraw/zinc/64/60/48/676646048.db2.gz	RUMFUHKDARCKFX-CQSZACIVSA-N	1	0	358.504	1.801	20	30		FDEDRO
O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CCS(=O)(=O)CC1	ZINC000329605270	676646070	/nfs/dbraw/zinc/64/60/70/676646070.db2.gz	HIBVLPAYCIIEHO-UHFFFAOYSA-N	1	0	351.472	1.427	20	30		FDEDRO
O=C(NC[C@H]1CCCCS1(=O)=O)NC1CC[NH+](C2CCCC2)CC1	ZINC000329667084	676648461	/nfs/dbraw/zinc/64/84/61/676648461.db2.gz	RJPOTFGPUMADIV-MRXNPFEDSA-N	1	0	357.520	1.864	20	30		FDEDRO
CC[N@@H+]1C[C@H](C)N(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)C[C@@H]1C	ZINC000329698741	676650030	/nfs/dbraw/zinc/65/00/30/676650030.db2.gz	FTKXWYZXSLWXOP-LZSIIWAZSA-N	1	0	351.451	1.880	20	30		FDEDRO
C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3nc(C(C)(C)C)cn3C2)CCS1(=O)=O	ZINC000329792229	676656618	/nfs/dbraw/zinc/65/66/18/676656618.db2.gz	FHZPXYUWXBPUSI-CHWSQXEVSA-N	1	0	368.503	1.528	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CC[C@]2(CCOC2)C1	ZINC000329793525	676656804	/nfs/dbraw/zinc/65/68/04/676656804.db2.gz	FRZJDPMEQLUQOT-WBMJQRKESA-N	1	0	353.444	1.423	20	30		FDEDRO
O=C(NC1CC[NH+](C2CCCCC2)CC1)N[C@@H]1CCCS(=O)(=O)C1	ZINC000329809437	676658020	/nfs/dbraw/zinc/65/80/20/676658020.db2.gz	CBVVJSXFVPQEIV-OAHLLOKOSA-N	1	0	357.520	1.864	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(C(=O)NCc3ccc(S(C)(=O)=O)s3)[C@@H]2C1	ZINC000329886182	676662271	/nfs/dbraw/zinc/66/22/71/676662271.db2.gz	VSXUKKWGTXMWLS-DGCLKSJQSA-N	1	0	357.501	1.592	20	30		FDEDRO
Cc1noc([C@H]2C[C@@H](O)CN2C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)n1	ZINC000329903449	676663187	/nfs/dbraw/zinc/66/31/87/676663187.db2.gz	IIXQAWRIIWTWIR-AYRXBEOTSA-N	1	0	351.451	1.520	20	30		FDEDRO
Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCC1(O)CC[NH+](C(C)C)CC1	ZINC000329926061	676663995	/nfs/dbraw/zinc/66/39/95/676663995.db2.gz	KIIKAYHDNGIVOM-AWEZNQCLSA-N	1	0	350.467	1.160	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)N3CC[C@@](C)(C(N)=O)C3)CC2)CC1	ZINC000329975521	676666613	/nfs/dbraw/zinc/66/66/13/676666613.db2.gz	YEGWHPZKKFARQI-GOSISDBHSA-N	1	0	351.495	1.706	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)CCSC1	ZINC000329998475	676668358	/nfs/dbraw/zinc/66/83/58/676668358.db2.gz	SICPKOTYQHAAHE-DLBZAZTESA-N	1	0	357.520	1.608	20	30		FDEDRO
CCO[C@@H]1C[C@H](O)C12CCN(C(=O)N[C@@H]1CC[N@@H+]3CCCC[C@@H]13)CC2	ZINC000330067602	676670878	/nfs/dbraw/zinc/67/08/78/676670878.db2.gz	FRXJVGQWLXQZCK-LTIDMASMSA-N	1	0	351.491	1.779	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)C1	ZINC000330215280	676679091	/nfs/dbraw/zinc/67/90/91/676679091.db2.gz	MGXMMNWUKZVRHS-BFYDXBDKSA-N	1	0	350.463	1.811	20	30		FDEDRO
NC(=O)C1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1	ZINC000330238458	676680356	/nfs/dbraw/zinc/68/03/56/676680356.db2.gz	VFDFUNRKRRBWTP-CVEARBPZSA-N	1	0	352.479	1.916	20	30		FDEDRO
CCS(=O)(=O)N1CCC(NC(=O)NCC2CC[NH+](C3CC3)CC2)CC1	ZINC000330332868	676684423	/nfs/dbraw/zinc/68/44/23/676684423.db2.gz	YEOQZSCIFYPQJC-UHFFFAOYSA-N	1	0	372.535	1.179	20	30		FDEDRO
C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CCOC3(CCOCC3)C2)CC1=O	ZINC000330334248	676684609	/nfs/dbraw/zinc/68/46/09/676684609.db2.gz	YPGXAYAABFTMNK-CABCVRRESA-N	1	0	353.463	1.081	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000330378785	676687078	/nfs/dbraw/zinc/68/70/78/676687078.db2.gz	RUJBERBDGVAONS-WMZOPIPTSA-N	1	0	364.515	1.967	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1	ZINC000330381966	676687435	/nfs/dbraw/zinc/68/74/35/676687435.db2.gz	WQCZFQSFDXKHFL-RYRKJORJSA-N	1	0	364.515	1.965	20	30		FDEDRO
COc1ccc(C(=O)NCC2CC[NH+](C)CC2)cc1S(=O)(=O)N(C)C	ZINC000330392793	676688418	/nfs/dbraw/zinc/68/84/18/676688418.db2.gz	HEJBIWYUSGBIDQ-UHFFFAOYSA-N	1	0	369.487	1.592	20	30		FDEDRO
CC[NH+](CC)C[C@H](C)NC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1	ZINC000330478203	676692647	/nfs/dbraw/zinc/69/26/47/676692647.db2.gz	XICASVCMEKZYHN-JKSUJKDBSA-N	1	0	354.495	1.202	20	30		FDEDRO
CCN(CC)S(=O)(=O)CCNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1	ZINC000330480885	676692861	/nfs/dbraw/zinc/69/28/61/676692861.db2.gz	SVKPJASRJQFCSN-MRXNPFEDSA-N	1	0	374.551	1.236	20	30		FDEDRO
COCC1(C)CC[NH+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1	ZINC000330659951	676700161	/nfs/dbraw/zinc/70/01/61/676700161.db2.gz	YBZXICCRVOHDGR-QGZVFWFLSA-N	1	0	350.507	1.427	20	30		FDEDRO
COC(=O)c1cc(CNC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)oc1C	ZINC000330691929	676700935	/nfs/dbraw/zinc/70/09/35/676700935.db2.gz	ALOUZWAIDDJXNG-NEPJUHHUSA-N	1	0	353.419	1.176	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc1	ZINC000330726792	676702257	/nfs/dbraw/zinc/70/22/57/676702257.db2.gz	FONKBLYTUNTEDR-MGPQQGTHSA-N	1	0	364.471	1.929	20	30		FDEDRO
CCS(=O)(=O)c1ccc(CNC(=O)N2CC[C@H](C[NH+](C)C)C2)s1	ZINC000330989655	676713020	/nfs/dbraw/zinc/71/30/20/676713020.db2.gz	JWLXDZXGQNRPHO-GFCCVEGCSA-N	1	0	359.517	1.839	20	30		FDEDRO
CN(C)S(=O)(=O)c1ccc(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)cn1	ZINC000330992532	676713227	/nfs/dbraw/zinc/71/32/27/676713227.db2.gz	SYGPXCSKVGYMEB-UHFFFAOYSA-N	1	0	368.503	1.759	20	30		FDEDRO
CN(C)S(=O)(=O)c1cccc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1	ZINC000331097291	676716658	/nfs/dbraw/zinc/71/66/58/676716658.db2.gz	MQLUCSOIMAJKBL-INIZCTEOSA-N	1	0	371.528	1.679	20	30		FDEDRO
CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccccc2S(=O)(=O)N(C)C)C1	ZINC000331099336	676716665	/nfs/dbraw/zinc/71/66/65/676716665.db2.gz	CAZFRYBALMVDEO-AWEZNQCLSA-N	1	0	368.503	1.756	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)Nc2nnc(C(C)(C)C)s2)CC1(C)C	ZINC000331275374	676725333	/nfs/dbraw/zinc/72/53/33/676725333.db2.gz	CCWDQLBMXBEYNZ-UHFFFAOYSA-N	1	0	354.524	2.188	20	30		FDEDRO
CC1(C)CCC[N@H+](CCNC(=O)c2ccc(S(N)(=O)=O)c(F)c2)C1	ZINC000331285808	676725713	/nfs/dbraw/zinc/72/57/13/676725713.db2.gz	GRYBDEWZDGEBTO-UHFFFAOYSA-N	1	0	357.451	1.900	20	30		FDEDRO
CN(C1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)c1ccc(C#N)nc1	ZINC000365120624	677351072	/nfs/dbraw/zinc/35/10/72/677351072.db2.gz	MTXKTAULHSVYSY-UHFFFAOYSA-N	1	0	357.439	1.638	20	30		FDEDRO
N#Cc1cccnc1N1CCC[N@@H+](C[C@@H](O)COCC(F)(F)F)CC1	ZINC000366600148	677454231	/nfs/dbraw/zinc/45/42/31/677454231.db2.gz	HAMNMWKHZNFJSL-CQSZACIVSA-N	1	0	358.364	1.405	20	30		FDEDRO
C=CCOCCCC(=O)N(C)C1CC[NH+](CC(=O)N2CCCC2)CC1	ZINC000369727519	677512843	/nfs/dbraw/zinc/51/28/43/677512843.db2.gz	NYSWILOLKIGCOB-UHFFFAOYSA-N	1	0	351.491	1.514	20	30		FDEDRO
Cc1cccc(N2CCC(NS(=O)(=O)c3cccnc3C#N)CC2)n1	ZINC000373780355	678067082	/nfs/dbraw/zinc/06/70/82/678067082.db2.gz	LWNKJTYBTPXHCP-UHFFFAOYSA-N	1	0	357.439	1.604	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1	ZINC000373998235	678070326	/nfs/dbraw/zinc/07/03/26/678070326.db2.gz	LEBOMVHDNSWZAG-IAGOWNOFSA-N	1	0	350.507	1.831	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1	ZINC000374448136	678080761	/nfs/dbraw/zinc/08/07/61/678080761.db2.gz	DZRMJVGAOSQMBI-BPUTZDHNSA-N	1	0	351.476	1.000	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1	ZINC000374542296	678086470	/nfs/dbraw/zinc/08/64/70/678086470.db2.gz	FIUUPJAROLFJNJ-INIZCTEOSA-N	1	0	356.536	1.909	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21	ZINC000375078620	678094362	/nfs/dbraw/zinc/09/43/62/678094362.db2.gz	JTLRSEFCPXDHRS-QGZVFWFLSA-N	1	0	354.447	1.809	20	30		FDEDRO
C#CCCCS(=O)(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000376362882	678287668	/nfs/dbraw/zinc/28/76/68/678287668.db2.gz	DUXFFUCILAQDNZ-GOSISDBHSA-N	1	0	350.484	1.298	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1	ZINC000423022717	680772581	/nfs/dbraw/zinc/77/25/81/680772581.db2.gz	IHDQXQWONJZXQL-CHWSQXEVSA-N	1	0	367.902	1.984	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@H]2[C@H](C1)C[N@H+](C)[C@@H]2c1ccccc1	ZINC000376985304	678419283	/nfs/dbraw/zinc/41/92/83/678419283.db2.gz	LXCNYKJDDOVSBM-LAVFITLUSA-N	1	0	362.499	1.557	20	30		FDEDRO
CN(C)S(=O)(=O)N1CCC[N@H+](CCCOc2ccc(C#N)cc2)CC1	ZINC000377772185	678610134	/nfs/dbraw/zinc/61/01/34/678610134.db2.gz	FMUFIOGYJKXPEX-UHFFFAOYSA-N	1	0	366.487	1.141	20	30		FDEDRO
CS(=O)(=O)N1CCC(C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)CC1	ZINC000378459702	678748899	/nfs/dbraw/zinc/74/88/99/678748899.db2.gz	GWZLEVXATFTXMK-NXOAAHMSSA-N	1	0	355.504	1.487	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1	ZINC000409561696	678859978	/nfs/dbraw/zinc/85/99/78/678859978.db2.gz	MRYLTIGWELKDIC-HZPDHXFCSA-N	1	0	374.551	1.439	20	30		FDEDRO
CO[C@@](C)([C@H](C)[NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)C1CC1	ZINC000411966916	679137817	/nfs/dbraw/zinc/13/78/17/679137817.db2.gz	HJUYJUHOTRMRHL-WDYCEAGBSA-N	1	0	350.507	1.472	20	30		FDEDRO
Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)C[C@H]2[NH3+])cn1	ZINC000424383154	680837967	/nfs/dbraw/zinc/83/79/67/680837967.db2.gz	APBVCTIFIXXVAS-DZGCQCFKSA-N	1	0	365.846	1.061	20	30		FDEDRO
N#Cc1ccc(Cc2cnc(NC(=O)N3CCO[C@H](C[NH3+])C3)s2)cc1	ZINC000414731011	679366037	/nfs/dbraw/zinc/36/60/37/679366037.db2.gz	HMVAJIZCTNMDKU-CQSZACIVSA-N	1	0	357.439	1.797	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]([NH3+])C2CC2)cc1	ZINC000414883397	679372346	/nfs/dbraw/zinc/37/23/46/679372346.db2.gz	AFDMLNCAGLSXCL-OAHLLOKOSA-N	1	0	352.460	1.352	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[NH2+][C@@H](C)C2)cc1	ZINC000414892605	679372846	/nfs/dbraw/zinc/37/28/46/679372846.db2.gz	JLWZJQFAQLSPRT-ZDUSSCGKSA-N	1	0	352.460	1.319	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2C[NH3+])cc1	ZINC000414901088	679373320	/nfs/dbraw/zinc/37/33/20/679373320.db2.gz	WTPBAKQMHOGQIF-CQSZACIVSA-N	1	0	352.460	1.448	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)C(=O)N(C)[C@H](C)C[NH3+]	ZINC000415415247	679426709	/nfs/dbraw/zinc/42/67/09/679426709.db2.gz	HPWMMFVVKRAYMR-SNVBAGLBSA-N	1	0	370.247	1.758	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)[C@@H](C)C[NH2+]1	ZINC000415564025	679453103	/nfs/dbraw/zinc/45/31/03/679453103.db2.gz	NXHJZYLUUAADAH-ZJUUUORDSA-N	1	0	365.231	1.468	20	30		FDEDRO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1	ZINC000415669732	679476000	/nfs/dbraw/zinc/47/60/00/679476000.db2.gz	GIXVGDCZRYLPMK-MELADBBJSA-N	1	0	358.467	1.697	20	30		FDEDRO
C[C@@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000415777138	679498181	/nfs/dbraw/zinc/49/81/81/679498181.db2.gz	BSDDQQFVCFDTJB-BDAKNGLRSA-N	1	0	358.320	1.290	20	30		FDEDRO
N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1	ZINC000415823630	679515194	/nfs/dbraw/zinc/51/51/94/679515194.db2.gz	TWYNJKXEYIUXGM-KBPBESRZSA-N	1	0	360.845	1.998	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1Cl	ZINC000415825866	679516223	/nfs/dbraw/zinc/51/62/23/679516223.db2.gz	ZDMADMKCVQHCRP-KBPBESRZSA-N	1	0	360.845	1.998	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000416370160	679588512	/nfs/dbraw/zinc/58/85/12/679588512.db2.gz	KJJXNMMFTOLROM-MRXNPFEDSA-N	1	0	350.488	1.420	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000416490219	679638154	/nfs/dbraw/zinc/63/81/54/679638154.db2.gz	UTEPRHQBBQJGRR-WMZOPIPTSA-N	1	0	362.499	1.120	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000418134499	680008450	/nfs/dbraw/zinc/00/84/50/680008450.db2.gz	NGNYHRFAWDDEMH-RDBSUJKOSA-N	1	0	364.412	1.103	20	30		FDEDRO
C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCCSCc2ccccc2C#N)C1	ZINC000418921116	680153426	/nfs/dbraw/zinc/15/34/26/680153426.db2.gz	LTKAKGFGXDLNJR-HIFRSBDPSA-N	1	0	360.483	1.103	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)c1ccc(F)c(F)c1	ZINC000419677854	680317818	/nfs/dbraw/zinc/31/78/18/680317818.db2.gz	NJTVEAKNAKRNQQ-RLCCDNCMSA-N	1	0	351.397	1.812	20	30		FDEDRO
C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)N[C@@H](C)C[NH3+]	ZINC000420029752	680391610	/nfs/dbraw/zinc/39/16/10/680391610.db2.gz	ORCUTIXBRKIRRO-JTQLQIEISA-N	1	0	372.238	1.566	20	30		FDEDRO
C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)C1	ZINC000420410897	680441938	/nfs/dbraw/zinc/44/19/38/680441938.db2.gz	AUAZWAFOMUEYLD-SNVBAGLBSA-N	1	0	358.261	1.551	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@@H]1CCN(C)C(=O)C1)C(C)C	ZINC000425590851	680911820	/nfs/dbraw/zinc/91/18/20/680911820.db2.gz	XLNGOMDEWLCPTC-SJORKVTESA-N	1	0	350.507	1.853	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000425861678	680937106	/nfs/dbraw/zinc/93/71/06/680937106.db2.gz	WDDWFBDTAOICNC-XDNAFOTISA-N	1	0	350.507	1.245	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1	ZINC000425887187	680939288	/nfs/dbraw/zinc/93/92/88/680939288.db2.gz	JXQVLKXJDCBIMP-ULQDDVLXSA-N	1	0	351.491	1.178	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1	ZINC000426133527	680948281	/nfs/dbraw/zinc/94/82/81/680948281.db2.gz	LBZZTKAYPFLJHF-LALPHHSUSA-N	1	0	362.396	1.430	20	30		FDEDRO
CC[NH+](CC)CCOC1CCN(S(=O)(=O)c2cccnc2C#N)CC1	ZINC000428366227	680999888	/nfs/dbraw/zinc/99/98/88/680999888.db2.gz	XGNKSQFKPCHDRA-UHFFFAOYSA-N	1	0	366.487	1.465	20	30		FDEDRO
CC[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@H](C)CO	ZINC000428881059	681016817	/nfs/dbraw/zinc/01/68/17/681016817.db2.gz	LSDRYDFRJQHRRQ-HUUCEWRRSA-N	1	0	350.488	1.160	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2	ZINC000435681875	681623042	/nfs/dbraw/zinc/62/30/42/681623042.db2.gz	CKRUCIMKNRCNKQ-CYBMUJFWSA-N	1	0	363.487	1.099	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[N@@H+](C)C[C@@H]2CC)c1	ZINC000439216769	681914179	/nfs/dbraw/zinc/91/41/79/681914179.db2.gz	UHPIGNGLUDBHQJ-INIZCTEOSA-N	1	0	365.499	1.707	20	30		FDEDRO
C[NH+](C)CCN1CCN(C(=O)c2cccc(C#N)c2Br)CC1	ZINC000448601712	682624945	/nfs/dbraw/zinc/62/49/45/682624945.db2.gz	WPFMVSALUJHZMG-UHFFFAOYSA-N	1	0	365.275	1.640	20	30		FDEDRO
COCC[N@H+](C)CCNC(=O)COc1cccc(Br)c1C#N	ZINC000449825744	682715778	/nfs/dbraw/zinc/71/57/78/682715778.db2.gz	HTZDRANOIVICRM-UHFFFAOYSA-N	1	0	370.247	1.394	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1	ZINC000450062395	682731776	/nfs/dbraw/zinc/73/17/76/682731776.db2.gz	PNDORGABZWQPTO-CVEARBPZSA-N	1	0	351.491	1.320	20	30		FDEDRO
CC(C)(CC#N)CS(=O)(=O)N1CCC(OCC[NH+]2CCCC2)CC1	ZINC000451268802	682853763	/nfs/dbraw/zinc/85/37/63/682853763.db2.gz	FPIIHKWRKBRPLZ-UHFFFAOYSA-N	1	0	357.520	1.833	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1O	ZINC000451749485	682930027	/nfs/dbraw/zinc/93/00/27/682930027.db2.gz	MUFQFZLJFYNFKM-HUUCEWRRSA-N	1	0	363.483	1.909	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C[C@H]1O	ZINC000451765119	682933101	/nfs/dbraw/zinc/93/31/01/682933101.db2.gz	XABLJSZFHIKAPZ-KCPJHIHWSA-N	1	0	363.483	1.765	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@H](CO)CC(C)(C)C)CC1	ZINC000451794746	682939623	/nfs/dbraw/zinc/93/96/23/682939623.db2.gz	YDVQXNHDLOUFSS-DLBZAZTESA-N	1	0	352.523	1.408	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1	ZINC000451794902	682939666	/nfs/dbraw/zinc/93/96/66/682939666.db2.gz	HLABYWFKSNKBIN-UHFFFAOYSA-N	1	0	350.488	1.721	20	30		FDEDRO
CC(C)(C)CC(C)(C)[NH+]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1	ZINC000452020872	683004157	/nfs/dbraw/zinc/00/41/57/683004157.db2.gz	UECNZRCJTFJXOD-HNNXBMFYSA-N	1	0	372.535	1.288	20	30		FDEDRO
CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2ccc(C#N)c(F)c2)CC1	ZINC000452044409	683010285	/nfs/dbraw/zinc/01/02/85/683010285.db2.gz	CXPFRZUESPCFRH-UHFFFAOYSA-N	1	0	368.478	1.392	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H](C)C1	ZINC000453599416	683168526	/nfs/dbraw/zinc/16/85/26/683168526.db2.gz	NABLCZURMQUABM-VXGBXAGGSA-N	1	0	363.849	1.782	20	30		FDEDRO
COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453645814	683175092	/nfs/dbraw/zinc/17/50/92/683175092.db2.gz	PCGQIRAPZJJPTK-UHFFFAOYSA-N	1	0	352.822	1.039	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](CS(N)(=O)=O)C1	ZINC000475751378	685635995	/nfs/dbraw/zinc/63/59/95/685635995.db2.gz	TUVJRDVEKFEGGO-RDJZCZTQSA-N	1	0	368.499	1.155	20	30		FDEDRO
C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)C(=O)NCCC#N)CC1	ZINC000453727422	683197750	/nfs/dbraw/zinc/19/77/50/683197750.db2.gz	BEDFMGAGQNLTSG-UHFFFAOYSA-N	1	0	364.833	1.781	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000453743458	683202879	/nfs/dbraw/zinc/20/28/79/683202879.db2.gz	FOEJDVJKEBPNOW-OLZOCXBDSA-N	1	0	361.833	1.630	20	30		FDEDRO
C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000453748109	683204330	/nfs/dbraw/zinc/20/43/30/683204330.db2.gz	JJXRQQJTAAPVOM-IAQYHMDHSA-N	1	0	361.833	1.630	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@H+](C)CCc1cccc(Br)c1	ZINC000463429944	684690828	/nfs/dbraw/zinc/69/08/28/684690828.db2.gz	RSYJNIXVNIXKTC-UHFFFAOYSA-N	1	0	354.248	1.935	20	30		FDEDRO
C=CCC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1	ZINC000467303280	684853567	/nfs/dbraw/zinc/85/35/67/684853567.db2.gz	WQORUEHJPGVZLU-UHFFFAOYSA-N	1	0	369.462	1.167	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2ccc(S(C)(=O)=O)s2)CC1	ZINC000468325129	684900183	/nfs/dbraw/zinc/90/01/83/684900183.db2.gz	AENACDBPFJGGLJ-UHFFFAOYSA-N	1	0	357.501	1.601	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)C(=O)NC1(C#N)CCC1	ZINC000469319911	684962610	/nfs/dbraw/zinc/96/26/10/684962610.db2.gz	SAYKEZMBTZWEDX-GJZGRUSLSA-N	1	0	362.499	1.662	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(CC(=O)Nc2sccc2C#N)C1	ZINC000472275923	685193067	/nfs/dbraw/zinc/19/30/67/685193067.db2.gz	KJBABPWXCPUUFA-HNNXBMFYSA-N	1	0	350.488	1.991	20	30		FDEDRO
C[NH+](C)C1CCN(CCNS(=O)(=O)CC2(C#N)CCCCC2)CC1	ZINC000476344410	685712134	/nfs/dbraw/zinc/71/21/34/685712134.db2.gz	YDKWMPKSTOJJJK-UHFFFAOYSA-N	1	0	356.536	1.406	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C	ZINC000479980055	686072799	/nfs/dbraw/zinc/07/27/99/686072799.db2.gz	MTTXHKDLCPSELJ-XHSDSOJGSA-N	1	0	353.507	1.566	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1	ZINC000481738353	686359264	/nfs/dbraw/zinc/35/92/64/686359264.db2.gz	JFNOEXFCFAMNQA-VQHPVUNQSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C)[N@H+](CC)C[C@@H]2C)c1	ZINC000498555464	687810535	/nfs/dbraw/zinc/81/05/35/687810535.db2.gz	QNTIIOLLNUUGJM-GJZGRUSLSA-N	1	0	365.499	1.706	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H]2CCC[C@H]2OC(F)F)CC1	ZINC000503525256	688364468	/nfs/dbraw/zinc/36/44/68/688364468.db2.gz	BPSMNZFKFMSENS-RBSFLKMASA-N	1	0	358.433	1.429	20	30		FDEDRO
CN(C)S(=O)(=O)CCC[NH+]1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000509062056	689228784	/nfs/dbraw/zinc/22/87/84/689228784.db2.gz	AHOZOPKJPCUUGF-UHFFFAOYSA-N	1	0	351.472	1.683	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000509935861	689325675	/nfs/dbraw/zinc/32/56/75/689325675.db2.gz	XLOGNSMMYKQBBN-HNNXBMFYSA-N	1	0	363.487	1.401	20	30		FDEDRO
COc1cc(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)ccc1C#N	ZINC000512854306	689643974	/nfs/dbraw/zinc/64/39/74/689643974.db2.gz	ADBGYHFHLWZNMD-HZPDHXFCSA-N	1	0	351.472	1.764	20	30		FDEDRO
C=CCN(C(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[C@H]1CCS(=O)(=O)C1	ZINC000515867598	689900555	/nfs/dbraw/zinc/90/05/55/689900555.db2.gz	WJJWPUNEEFLVRJ-HOTGVXAUSA-N	1	0	372.556	1.406	20	30		FDEDRO
Cn1cc(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c(C(F)(F)F)n1	ZINC000516453720	689951114	/nfs/dbraw/zinc/95/11/14/689951114.db2.gz	IJWXKDIZMUUORF-CYBMUJFWSA-N	1	0	354.332	1.840	20	30		FDEDRO
C[NH+](C)CCc1ccccc1NCCS(=O)(=O)c1ccc(C#N)cn1	ZINC000516456944	689951712	/nfs/dbraw/zinc/95/17/12/689951712.db2.gz	WBBYITVBCMARTQ-UHFFFAOYSA-N	1	0	358.467	1.943	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H]1CSCCN1Cc1ccccc1	ZINC000516762913	689986519	/nfs/dbraw/zinc/98/65/19/689986519.db2.gz	YBMHFQZJDPTANL-MOPGFXCFSA-N	1	0	362.543	1.400	20	30		FDEDRO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C	ZINC000518749131	690159768	/nfs/dbraw/zinc/15/97/68/690159768.db2.gz	PPSMTXNKRMLOHT-QWHCGFSZSA-N	1	0	364.471	1.058	20	30		FDEDRO
Cc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1S(=O)(=O)NCC#N	ZINC000521264020	690400593	/nfs/dbraw/zinc/40/05/93/690400593.db2.gz	QTEIOZGDSKBHBA-UHFFFAOYSA-N	1	0	364.471	1.013	20	30		FDEDRO
C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000526941715	694646338	/nfs/dbraw/zinc/64/63/38/694646338.db2.gz	RTDRYIZPJAUACL-GFCCVEGCSA-N	1	0	361.471	1.893	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC(CCOC)CC2)CC1	ZINC000636677216	695195343	/nfs/dbraw/zinc/19/53/43/695195343.db2.gz	QXKDODGWJZKRHG-UHFFFAOYSA-N	1	0	351.491	1.418	20	30		FDEDRO
C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)NCC#CCO)CC1	ZINC000640252597	695547782	/nfs/dbraw/zinc/54/77/82/695547782.db2.gz	LDOSEEWVZIQDSR-UHFFFAOYSA-N	1	0	351.834	1.930	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000641672456	696196618	/nfs/dbraw/zinc/19/66/18/696196618.db2.gz	YCUDCFQVVAJNGS-INIZCTEOSA-N	1	0	367.515	1.698	20	30		FDEDRO
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cnc(Cl)cc1C#N	ZINC001164614083	719016274	/nfs/dbraw/zinc/01/62/74/719016274.db2.gz	BXFXIILOYDZMSN-WCFLWFBJSA-N	1	0	370.787	1.881	20	30		FDEDRO
CCOC(=O)c1cc(C#N)c(Cl)nc1N1C[C@@H]2OCC[N@H+](C)[C@H]2C1	ZINC001164665171	719383719	/nfs/dbraw/zinc/38/37/19/719383719.db2.gz	FQRJGHAIBZVMEK-STQMWFEESA-N	1	0	350.806	1.303	20	30		FDEDRO
COc1ccnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1C#N	ZINC001164739611	720673274	/nfs/dbraw/zinc/67/32/74/720673274.db2.gz	OFWJYJBZZDBGQZ-UONOGXRCSA-N	1	0	352.398	1.094	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1	ZINC001164743551	720807954	/nfs/dbraw/zinc/80/79/54/720807954.db2.gz	GZIIXQRMVUNOPZ-CEXWTWQISA-N	1	0	363.469	1.924	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3[nH]ccc4ncc(C#N)c3-4)CC[C@H]2C1	ZINC001164852112	720869935	/nfs/dbraw/zinc/86/99/35/720869935.db2.gz	CBQHXMHWSMBLAX-YOEHRIQHSA-N	1	0	355.442	1.608	20	30		FDEDRO
Cc1nc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)ccc1CC#N	ZINC001164754123	720964614	/nfs/dbraw/zinc/96/46/14/720964614.db2.gz	MBUCSSSZWPRHCU-UHFFFAOYSA-N	1	0	368.441	1.298	20	30		FDEDRO
COc1ccnc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c1C#N	ZINC001164763447	721110681	/nfs/dbraw/zinc/11/06/81/721110681.db2.gz	FZEKMYGYRVMWBB-HOTGVXAUSA-N	1	0	352.442	1.654	20	30		FDEDRO
CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncc(F)cc4C#N)C3)O2)CC1	ZINC001164884973	721391945	/nfs/dbraw/zinc/39/19/45/721391945.db2.gz	BIBOGFWHKIIDHY-AZUAARDMSA-N	1	0	373.476	1.858	20	30		FDEDRO
CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cncc(CC#N)n4)C3)O2)CC1	ZINC001164897341	721428450	/nfs/dbraw/zinc/42/84/50/721428450.db2.gz	SYORZKJHJLRPAK-UYAOXDASSA-N	1	0	370.501	1.308	20	30		FDEDRO
C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncc(Cl)cc2C#N)CC3)CC1	ZINC001164798259	721517677	/nfs/dbraw/zinc/51/76/77/721517677.db2.gz	RDUUBHWWZHHPGS-UHFFFAOYSA-N	1	0	371.876	1.571	20	30		FDEDRO
Cc1ncc(C#N)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1	ZINC001164982502	722109921	/nfs/dbraw/zinc/10/99/21/722109921.db2.gz	WSIIGMGHTYHGSZ-PKOBYXMFSA-N	1	0	364.453	1.779	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)n[nH]2)C[C@H]1c1ccccc1	ZINC001211541778	782498252	/nfs/dbraw/zinc/49/82/52/782498252.db2.gz	HIEQJHZZWGVQEE-PKOBYXMFSA-N	1	0	352.438	1.566	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)C(C)C	ZINC000176662484	782562251	/nfs/dbraw/zinc/56/22/51/782562251.db2.gz	JVXCFMSAQGOZIC-DOTOQJQBSA-N	1	0	359.474	1.577	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC000969123739	768902880	/nfs/dbraw/zinc/90/28/80/768902880.db2.gz	UMQQFUVSWLLDIO-PNVOZDDCSA-N	1	0	361.486	1.120	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCCOC)C[C@H]1c1ccccc1	ZINC001211544210	782711976	/nfs/dbraw/zinc/71/19/76/782711976.db2.gz	YJLVXXPUMDRKEG-ZWKOTPCHSA-N	1	0	359.470	1.299	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)CC)C[C@H]1C	ZINC001104223264	769054370	/nfs/dbraw/zinc/05/43/70/769054370.db2.gz	VCSLMQRXTOZEEQ-KWCYVHTRSA-N	1	0	365.927	1.141	20	30		FDEDRO
N#CC1(CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCCCC1	ZINC000892259076	782718602	/nfs/dbraw/zinc/71/86/02/782718602.db2.gz	CMJCBHWIKNKERO-KFWWJZLASA-N	1	0	361.446	1.037	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)N[C@H]2CCC[C@H]2Oc2cnn(CC)c2)C1	ZINC000924037446	769639387	/nfs/dbraw/zinc/63/93/87/769639387.db2.gz	LTVCWTAIOHNBJD-BPQIPLTHSA-N	1	0	359.474	1.600	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)nnn3C)C1	ZINC001022736471	782795093	/nfs/dbraw/zinc/79/50/93/782795093.db2.gz	UUGFHUNRFRMKTI-FSZRXZPDSA-N	1	0	355.442	1.296	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(NC(C)=O)c2)C1	ZINC001022736534	782795930	/nfs/dbraw/zinc/79/59/30/782795930.db2.gz	XGJUICYKVOSMOE-HCXYKTFWSA-N	1	0	357.454	1.973	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)N2CCC(C)CC2)C1	ZINC001022736807	782797593	/nfs/dbraw/zinc/79/75/93/782797593.db2.gz	CXQPPJXCNSZCHH-AVEIZBFRSA-N	1	0	363.502	1.461	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(-n4cccn4)ccn3)[C@H]2C1	ZINC001083190181	770218911	/nfs/dbraw/zinc/21/89/11/770218911.db2.gz	CBFRIUZRXUWYDP-RBUKOAKNSA-N	1	0	367.453	1.759	20	30		FDEDRO
C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)NC(=O)COC)C[C@H]1C	ZINC001104226876	770407375	/nfs/dbraw/zinc/40/73/75/770407375.db2.gz	DGPDBAWDUYBIQF-FGTMMUONSA-N	1	0	367.534	1.958	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCc2cnn(CC)c2)C1	ZINC000969693790	770674018	/nfs/dbraw/zinc/67/40/18/770674018.db2.gz	WSEKEXQYIDATBK-IPELMVKDSA-N	1	0	360.502	1.863	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)cc1F	ZINC001020596256	770927730	/nfs/dbraw/zinc/92/77/30/770927730.db2.gz	IOSVTULBBZAIBX-OCVGTWLNSA-N	1	0	358.417	1.336	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H]1C	ZINC001020598693	770944103	/nfs/dbraw/zinc/94/41/03/770944103.db2.gz	MXDJTTLPFOVXCD-YVSFHVDLSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@@H]1CN(CC(=O)NCc2cccnc2)C[C@H]1C	ZINC001208963491	770983694	/nfs/dbraw/zinc/98/36/94/770983694.db2.gz	MMUMTORGDUHAGY-NVXWUHKLSA-N	1	0	358.486	1.737	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N1CCO[C@@H]2CN(CC#Cc3ccccc3)C[C@@H]21	ZINC001083193434	771096603	/nfs/dbraw/zinc/09/66/03/771096603.db2.gz	RPFJSVQIHHJQCO-HLAWJBBLSA-N	1	0	367.493	1.434	20	30		FDEDRO
Cn1cc([C@@H]2C[N@H+](CCC(=O)Nc3ccccc3C#N)C[C@H]2CO)cn1	ZINC000277624660	782896463	/nfs/dbraw/zinc/89/64/63/782896463.db2.gz	APVNCVCQDMROSG-IRXDYDNUSA-N	1	0	353.426	1.328	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)c(F)c1	ZINC000969973889	771146009	/nfs/dbraw/zinc/14/60/09/771146009.db2.gz	USWXSHUUFAUQOO-IJEWVQPXSA-N	1	0	358.417	1.289	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC(C)=C(C)C2)C[C@H]1C	ZINC001104230370	771269163	/nfs/dbraw/zinc/26/91/63/771269163.db2.gz	SODWIKNMPLKQNK-GUDVDZBRSA-N	1	0	359.514	1.947	20	30		FDEDRO
C#CCCC[NH+]1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CCN2C	ZINC001209266911	771330548	/nfs/dbraw/zinc/33/05/48/771330548.db2.gz	GARPISWSTHUMGV-UHFFFAOYSA-N	1	0	360.527	1.974	20	30		FDEDRO
C=CCN(Cc1ccccc1)c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001167126018	771416337	/nfs/dbraw/zinc/41/63/37/771416337.db2.gz	HLZJPLTWXABLJF-UHFFFAOYSA-N	1	0	354.414	1.987	20	30		FDEDRO
Cc1ccn(CC(=O)N2CCO[C@@H]3CN(Cc4ccc(C#N)s4)C[C@@H]32)n1	ZINC001083197789	771733169	/nfs/dbraw/zinc/73/31/69/771733169.db2.gz	JTFCWYGOAAYNLW-DLBZAZTESA-N	1	0	371.466	1.237	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C	ZINC000430393939	771763375	/nfs/dbraw/zinc/76/33/75/771763375.db2.gz	MZBNBZOZTBPVFB-MHORFTMASA-N	1	0	363.502	1.558	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]CC1(CCNC(=O)[C@H]2C[C@H]2C(N)=O)CC1	ZINC001167244964	771798370	/nfs/dbraw/zinc/79/83/70/771798370.db2.gz	LLEHKETVPOHGCR-CVEARBPZSA-N	1	0	370.453	1.064	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](Cc2nccn2C)C1	ZINC000430406675	771814112	/nfs/dbraw/zinc/81/41/12/771814112.db2.gz	MKSYVHKEXVTSEN-BQFCYCMXSA-N	1	0	374.485	1.299	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]Cc2nnnn2CCC)CC1	ZINC001167277144	771855675	/nfs/dbraw/zinc/85/56/75/771855675.db2.gz	CIXSXCCERYPBHO-CABCVRRESA-N	1	0	362.478	1.050	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2)CC1	ZINC000277667640	782974160	/nfs/dbraw/zinc/97/41/60/782974160.db2.gz	DNTICCFNNXYZQU-QGZVFWFLSA-N	1	0	360.506	1.647	20	30		FDEDRO
CN(CC(C)(C)C[NH+](C)C)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000890884338	772023718	/nfs/dbraw/zinc/02/37/18/772023718.db2.gz	KZTIIQQJOZBXOG-UHFFFAOYSA-N	1	0	354.458	1.986	20	30		FDEDRO
N#CC1(c2ccc(C(=O)NCC(=O)NCC[NH+]3CCCCC3)cc2)CC1	ZINC000909320849	772323772	/nfs/dbraw/zinc/32/37/72/772323772.db2.gz	MLOIYEFACQAZQF-UHFFFAOYSA-N	1	0	354.454	1.574	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]([NH3+])[C@H](CC)C2)c1	ZINC000647004780	772377670	/nfs/dbraw/zinc/37/76/70/772377670.db2.gz	QAWLRLFTIODUBF-CZUORRHYSA-N	1	0	351.472	1.350	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@H](OCC)C(=C)C)C[C@H]1C	ZINC001104255381	772432708	/nfs/dbraw/zinc/43/27/08/772432708.db2.gz	NBOXFTMDVDIKFU-KURKYZTESA-N	1	0	365.518	1.734	20	30		FDEDRO
C[C@@H]1CCN(C(=O)CN2CCCC2=O)[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001087117835	772660368	/nfs/dbraw/zinc/66/03/68/772660368.db2.gz	KFYDWYVKYRVWBW-APWZRJJASA-N	1	0	368.481	1.897	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[C@@H]3C[C@@H]3CC1)C2	ZINC001112484537	772674860	/nfs/dbraw/zinc/67/48/60/772674860.db2.gz	WFLIXBMJJPLJNA-PQTWGXLHSA-N	1	0	371.525	1.780	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCO[C@H]1CC)C2	ZINC001112484574	772681117	/nfs/dbraw/zinc/68/11/17/772681117.db2.gz	XKJNFXCCUDTKLK-CLWJZODNSA-N	1	0	363.502	1.322	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1	ZINC001211549161	783039639	/nfs/dbraw/zinc/03/96/39/783039639.db2.gz	CRDMWSDVVMFPII-VNQPRFMTSA-N	1	0	358.442	1.120	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC3CC3)C2)CCC1	ZINC001104279501	772755033	/nfs/dbraw/zinc/75/50/33/772755033.db2.gz	BZSPUCCHLQXQIN-SJLPKXTDSA-N	1	0	359.514	1.780	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ncccn3)C2)CCOCC1	ZINC001104279752	772755893	/nfs/dbraw/zinc/75/58/93/772755893.db2.gz	NXBJCBPTAGYDJE-QZTJIDSGSA-N	1	0	370.497	1.871	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1	ZINC001021324576	772913235	/nfs/dbraw/zinc/91/32/35/772913235.db2.gz	GNHCOKPTEVCTRL-UKPHBRMFSA-N	1	0	355.442	1.044	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2conc2C(C)C)C[C@H]1C	ZINC001104287250	773049408	/nfs/dbraw/zinc/04/94/08/773049408.db2.gz	ZNBLVXXECAADDW-HUUCEWRRSA-N	1	0	360.458	1.235	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1	ZINC001021425853	773302681	/nfs/dbraw/zinc/30/26/81/773302681.db2.gz	FGFRAOGEBQFBJS-JCGIZDLHSA-N	1	0	369.469	1.434	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1COCCN1CC(F)F)C2	ZINC001112493416	773797592	/nfs/dbraw/zinc/79/75/92/773797592.db2.gz	WCANHHQLNFKKJZ-FCEWJHQRSA-N	1	0	371.472	1.747	20	30		FDEDRO
C#CCOCCC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000160402565	773873670	/nfs/dbraw/zinc/87/36/70/773873670.db2.gz	CICIWIUQPURTGT-UHFFFAOYSA-N	1	0	359.470	1.363	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2C)C1	ZINC001104293968	773877165	/nfs/dbraw/zinc/87/71/65/773877165.db2.gz	NKSAQHYHRHDUCF-HUUCEWRRSA-N	1	0	357.462	1.086	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1cncc(C)c1)C2	ZINC001112494931	773941126	/nfs/dbraw/zinc/94/11/26/773941126.db2.gz	ZFRUCGFFCZQEMQ-RXVVDRJESA-N	1	0	370.497	1.453	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cn(C)nc2C(F)F)C[C@H]1C	ZINC001104298421	774054770	/nfs/dbraw/zinc/05/47/70/774054770.db2.gz	IVJVKCFCUFKLOO-ZIAGYGMSSA-N	1	0	368.428	1.695	20	30		FDEDRO
CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc(C#N)nc2)[NH+](C)C)cc1	ZINC000891248226	774101548	/nfs/dbraw/zinc/10/15/48/774101548.db2.gz	WXVRKMMWZUBYNO-LJQANCHMSA-N	1	0	351.454	1.981	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1)[NH+]1CCCCCC1	ZINC001021590326	774115386	/nfs/dbraw/zinc/11/53/86/774115386.db2.gz	DRQCKOBOFJOIJA-YTQUADARSA-N	1	0	357.498	1.724	20	30		FDEDRO
CC(C)(C(=O)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1)[NH+]1CCCCC1	ZINC001021591128	774121883	/nfs/dbraw/zinc/12/18/83/774121883.db2.gz	MYVXEQQSONAFGT-ZWKOTPCHSA-N	1	0	357.498	1.724	20	30		FDEDRO
COc1cc(/C=C/C(=O)NCC[N@@H+]2CCCOCC2)ccc1OCC#N	ZINC000275858697	774154213	/nfs/dbraw/zinc/15/42/13/774154213.db2.gz	NQWLHHQMFHUAGD-GQCTYLIASA-N	1	0	359.426	1.449	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000275871877	774199283	/nfs/dbraw/zinc/19/92/83/774199283.db2.gz	ZBARGMMUMSUSIM-FQEVSTJZSA-N	1	0	360.502	1.939	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC)C1	ZINC001112496471	774334749	/nfs/dbraw/zinc/33/47/49/774334749.db2.gz	YHHVYBYFAMPINM-VDGAXYAQSA-N	1	0	365.518	1.570	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ncc(C)cn2)C1	ZINC001104306142	774440166	/nfs/dbraw/zinc/44/01/66/774440166.db2.gz	MZHLWCMJJJMSMP-QRVBRYPASA-N	1	0	369.513	1.457	20	30		FDEDRO
O=C(NCC#Cc1ccccc1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000525506962	774502106	/nfs/dbraw/zinc/50/21/06/774502106.db2.gz	QYZGKJJNBFXMKA-QFIPXVFZSA-N	1	0	363.461	1.974	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(C)([NH+]2CCC2)CC1	ZINC000891307396	774577652	/nfs/dbraw/zinc/57/76/52/774577652.db2.gz	HSSCBTKQSRMFGU-UHFFFAOYSA-N	1	0	370.453	1.982	20	30		FDEDRO
COc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1-n1nnnc1C	ZINC000328748302	774638753	/nfs/dbraw/zinc/63/87/53/774638753.db2.gz	LYYGFQJSCSINRI-LSDHHAIUSA-N	1	0	371.445	1.741	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001087135755	774662450	/nfs/dbraw/zinc/66/24/50/774662450.db2.gz	XYHCRCQKLFVQOU-FHLIZLRMSA-N	1	0	354.454	1.554	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1	ZINC001021699768	774666164	/nfs/dbraw/zinc/66/61/64/774666164.db2.gz	VZZADDWYCRKEDX-RRFJBIMHSA-N	1	0	353.894	1.776	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CCCCC[NH3+])c1	ZINC000588536497	783198405	/nfs/dbraw/zinc/19/84/05/783198405.db2.gz	QBTXJCRXWGABKE-SILNSSARSA-N	1	0	366.487	1.957	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C#N)ccc2OC)[C@H](C)C1	ZINC000275965214	774767953	/nfs/dbraw/zinc/76/79/53/774767953.db2.gz	GHMGLHNSOSVXHR-CJNGLKHVSA-N	1	0	358.442	1.694	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)CC4CCCC4)[C@@H]3C2)CC1	ZINC000971165172	775084574	/nfs/dbraw/zinc/08/45/74/775084574.db2.gz	IHQTZGZEAQKFCV-WOJBJXKFSA-N	1	0	371.525	1.971	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2ocnc2C)C1=O	ZINC001087141993	775160069	/nfs/dbraw/zinc/16/00/69/775160069.db2.gz	COJAWNUMJAZZOK-VNQPRFMTSA-N	1	0	360.458	1.600	20	30		FDEDRO
C=C(Cl)CN1C[C@H]2OCCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@H]2C1	ZINC001083215400	775718436	/nfs/dbraw/zinc/71/84/36/775718436.db2.gz	XNEQYWHFXJLCMG-IXDOHACOSA-N	1	0	355.910	1.915	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)c4occc4C)[C@@H]3C2)CC1	ZINC000971328906	775916591	/nfs/dbraw/zinc/91/65/91/775916591.db2.gz	BRZJYQLFYZOIKQ-QZTJIDSGSA-N	1	0	369.465	1.606	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cn3c(n2)C[C@H](OC)CC3)C[C@H]1C	ZINC001104345295	776007807	/nfs/dbraw/zinc/00/78/07/776007807.db2.gz	FUGBTRPACFHAMB-BRWVUGGUSA-N	1	0	358.486	1.555	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cccc(OCC)c2)C[C@H]1C	ZINC001104729613	790410316	/nfs/dbraw/zinc/41/03/16/790410316.db2.gz	WWZQGLNOIHLTLY-SJLPKXTDSA-N	1	0	371.481	1.523	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H](C[NH2+]C[C@H]2CCNC(=O)CC2)C1	ZINC001087152185	776085966	/nfs/dbraw/zinc/08/59/66/776085966.db2.gz	JCONOWVTGSGCDR-RKVPGOIHSA-N	1	0	371.485	1.633	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4CC4(C)C)C[C@H]32)CC1	ZINC001021884374	776499842	/nfs/dbraw/zinc/49/98/42/776499842.db2.gz	XPNYXANPVMHIRR-OKZBNKHCSA-N	1	0	357.498	1.437	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)CC4(C)CC4)C[C@H]32)CC1	ZINC001021886886	776502380	/nfs/dbraw/zinc/50/23/80/776502380.db2.gz	WQMQHOBMWGGUOK-ZWKOTPCHSA-N	1	0	357.498	1.581	20	30		FDEDRO
C=CCn1cc(C(=O)N2CCO[C@@H]3C[N@@H+](CC4CC(F)(F)C4)C[C@@H]32)nn1	ZINC001083217712	776592165	/nfs/dbraw/zinc/59/21/65/776592165.db2.gz	LSZQQGWDSHPEDM-LSDHHAIUSA-N	1	0	367.400	1.035	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)NC[C@@H]2C[N@H+](CCO)CC[C@@H]2c2ccc(F)cc2)c1	ZINC001075419924	776771807	/nfs/dbraw/zinc/77/18/07/776771807.db2.gz	DWGHTJCAYMJWDM-SJLPKXTDSA-N	1	0	370.428	1.853	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ncc(F)cc2F)C[C@H]1C	ZINC001104357425	777005711	/nfs/dbraw/zinc/00/57/11/777005711.db2.gz	ZMFRUGSEDGZWEV-ZIAGYGMSSA-N	1	0	351.397	1.697	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)Cc2cn3ccccc3n2)C[C@H]1C	ZINC001104357492	777061876	/nfs/dbraw/zinc/06/18/76/777061876.db2.gz	GDLCOHDZWMBWGT-QZTJIDSGSA-N	1	0	368.481	1.601	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H]2CCNC2=O)C1	ZINC001075421962	777217955	/nfs/dbraw/zinc/21/79/55/777217955.db2.gz	CHUSFEIHFABJMM-KBAYOESNSA-N	1	0	357.429	1.117	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001075422217	777279171	/nfs/dbraw/zinc/27/91/71/777279171.db2.gz	RWFZTNSVSGWQFP-DDBAPUKQSA-N	1	0	359.445	1.655	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1	ZINC001075423337	777859990	/nfs/dbraw/zinc/85/99/90/777859990.db2.gz	XWHLUTBUMCPAFT-QRQLOZEOSA-N	1	0	371.456	1.649	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C(N)=O)c2)C1	ZINC001022099995	777920832	/nfs/dbraw/zinc/92/08/32/777920832.db2.gz	VPDOHWHYLLRFMB-XDNAFOTISA-N	1	0	357.454	1.504	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3nccn3C2)C[C@H]1C	ZINC001104367511	777950809	/nfs/dbraw/zinc/95/08/09/777950809.db2.gz	WOXDAKSYAUNSKQ-KZNAEPCWSA-N	1	0	360.502	1.722	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)COc3ccsc3Cl)[C@H]2C1	ZINC001083221824	777964440	/nfs/dbraw/zinc/96/44/40/777964440.db2.gz	TXYJUUFDVIORDD-GXTWGEPZSA-N	1	0	354.859	1.715	20	30		FDEDRO
C[C@](CO)(Cc1ccc(F)cc1)[NH2+]CC(=O)NCc1cccc(C#N)c1	ZINC000933439524	778139988	/nfs/dbraw/zinc/13/99/88/778139988.db2.gz	RDSYZWNNCRPWFS-HXUWFJFHSA-N	1	0	355.413	1.897	20	30		FDEDRO
O=C(NCc1ccc(N2CCOCC2)nc1)N1CCC[C@H]1C[NH+]1CCCC1	ZINC000328833717	778437119	/nfs/dbraw/zinc/43/71/19/778437119.db2.gz	LIUUITKKXYQIBA-SFHVURJKSA-N	1	0	373.501	1.892	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC3(CC2)CC(=O)C=CO3)C1	ZINC000891597378	778441439	/nfs/dbraw/zinc/44/14/39/778441439.db2.gz	HPZRSPOLYAQCRJ-KRWDZBQOSA-N	1	0	365.474	1.391	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1	ZINC001022159896	778454891	/nfs/dbraw/zinc/45/48/91/778454891.db2.gz	MQRLTGVYKFVMKE-JCGIZDLHSA-N	1	0	354.454	1.581	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)CCOC[C@H]2CCCO2)C[C@H]1C	ZINC001104376918	778690491	/nfs/dbraw/zinc/69/04/91/778690491.db2.gz	ZDGZYVJMDQWPGM-GUDVDZBRSA-N	1	0	366.502	1.296	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@@H](CNC(=O)C(C)(C)C#N)C[C@H]2C1	ZINC001143403405	778886188	/nfs/dbraw/zinc/88/61/88/778886188.db2.gz	HYEZKWSIRNPBKA-KGLIPLIRSA-N	1	0	350.463	1.594	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C(F)(F)F)n[nH]3)[C@H]2C1	ZINC001083224127	779024268	/nfs/dbraw/zinc/02/42/68/779024268.db2.gz	HPIYEPPOFBRBJL-QWHCGFSZSA-N	1	0	358.364	1.920	20	30		FDEDRO
CN1CCN(C(=O)CCNC(=O)N2CCC([NH+]3CCCCC3)CC2)CC1	ZINC000328855679	779026172	/nfs/dbraw/zinc/02/61/72/779026172.db2.gz	XRRXCECCYVDNCV-UHFFFAOYSA-N	1	0	365.522	1.015	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@H]1c1ccccc1	ZINC001211522550	779113705	/nfs/dbraw/zinc/11/37/05/779113705.db2.gz	WZIGAOIPUMRRSQ-RCCFBDPRSA-N	1	0	357.454	1.052	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)C[N@H+]4CCC[C@@H]4C)C[C@H]32)nc1	ZINC001022294721	779196765	/nfs/dbraw/zinc/19/67/65/779196765.db2.gz	SSBAAVMZNWWVGL-VDZJLULYSA-N	1	0	366.465	1.220	20	30		FDEDRO
C[C@H]1C[NH+](CCCNC(=O)N2CCC3(CC2)CC(=O)C=CO3)C[C@H](C)O1	ZINC000891730629	779202281	/nfs/dbraw/zinc/20/22/81/779202281.db2.gz	XPQYLJLRYLAJPS-HOTGVXAUSA-N	1	0	365.474	1.533	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@]34CCC[C@H]3[NH2+]CC4)C2=O)cc1	ZINC000891764951	779317303	/nfs/dbraw/zinc/31/73/03/779317303.db2.gz	MPVJROYHZZUOOD-QKLQHJQFSA-N	1	0	367.453	1.637	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C)C2)[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001087172823	779350665	/nfs/dbraw/zinc/35/06/65/779350665.db2.gz	UEHRMZUNAFTRTR-MNEFBYGVSA-N	1	0	368.481	1.753	20	30		FDEDRO
CNC(=O)CCCCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000430874126	779484152	/nfs/dbraw/zinc/48/41/52/779484152.db2.gz	COMVNJBFUHWIOC-UHFFFAOYSA-N	1	0	356.470	1.967	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CCC(CNC(=O)c3ccccn3)CC2)[N@H+](C)C1	ZINC000328960530	779567548	/nfs/dbraw/zinc/56/75/48/779567548.db2.gz	KJSDUJSJLVMCNR-RDJZCZTQSA-N	1	0	360.458	1.344	20	30		FDEDRO
CC[NH+]=C(NCCN1CCOC[C@@H]1C)N1CC[C@H](C)[C@H](n2ccnc2)C1	ZINC000261970668	779758275	/nfs/dbraw/zinc/75/82/75/779758275.db2.gz	MRSNZTXFOQXTJK-OKZBNKHCSA-N	1	0	362.522	1.452	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2CCCNC2=O)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087177552	779763414	/nfs/dbraw/zinc/76/34/14/779763414.db2.gz	DVTCNQLCTFODCQ-AYOQOUSVSA-N	1	0	368.481	1.801	20	30		FDEDRO
C=CCOc1c(Br)cc(C[NH2+]C[C@](C)(O)CO)cc1OC	ZINC000684536804	779768325	/nfs/dbraw/zinc/76/83/25/779768325.db2.gz	UUJUHIYDTFGWQF-HNNXBMFYSA-N	1	0	360.248	1.855	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1c1ccccc1	ZINC001211526303	779943222	/nfs/dbraw/zinc/94/32/22/779943222.db2.gz	GANXMRRYCPJTFZ-BPQIPLTHSA-N	1	0	354.458	1.612	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)[C@H](F)C(C)C)[C@@H]3C2)CC1	ZINC001022436233	780163412	/nfs/dbraw/zinc/16/34/12/780163412.db2.gz	YDGOPJKVOPTZHZ-RCCFBDPRSA-N	1	0	363.477	1.385	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)Nc2cnccn2)C1	ZINC001112508257	780208658	/nfs/dbraw/zinc/20/86/58/780208658.db2.gz	WVRBMHFNNCWMMP-YWZLYKJASA-N	1	0	371.485	1.846	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087184321	780343854	/nfs/dbraw/zinc/34/38/54/780343854.db2.gz	HPJNMQDXMBGXRO-LZQZEXGQSA-N	1	0	368.481	1.801	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)cc1	ZINC001022475476	780542971	/nfs/dbraw/zinc/54/29/71/780542971.db2.gz	BGBCOSNALOVWFP-QXCZDIPSSA-N	1	0	355.438	1.347	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)CC1	ZINC000277015221	780665792	/nfs/dbraw/zinc/66/57/92/780665792.db2.gz	AMHRHVCFTLXIQE-LSDHHAIUSA-N	1	0	358.442	1.859	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cccn2C)C[C@H]1c1ccccc1	ZINC001211532026	780884981	/nfs/dbraw/zinc/88/49/81/780884981.db2.gz	HFPXTASBYCATBA-RBUKOAKNSA-N	1	0	351.450	1.873	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1	ZINC001112509165	781039255	/nfs/dbraw/zinc/03/92/55/781039255.db2.gz	MQHTXKMZIHYSGQ-PXNSSMCTSA-N	1	0	358.486	1.428	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)C(F)(F)F)C2	ZINC001112509821	781056691	/nfs/dbraw/zinc/05/66/91/781056691.db2.gz	MNVMNINUQPIYTA-WWGRRREGSA-N	1	0	361.408	1.705	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)n2cccn2)C[C@H]1c1ccccc1	ZINC001211535393	781247890	/nfs/dbraw/zinc/24/78/90/781247890.db2.gz	COBGZJXOHHLGFK-YSIASYRMSA-N	1	0	366.465	1.678	20	30		FDEDRO
N#CCOc1cccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1	ZINC000277422113	781835351	/nfs/dbraw/zinc/83/53/51/781835351.db2.gz	FOLFORHBZSMURG-INIZCTEOSA-N	1	0	356.426	1.661	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1	ZINC000972314877	783242891	/nfs/dbraw/zinc/24/28/91/783242891.db2.gz	RSNYBFMPVDJXNB-KZNAEPCWSA-N	1	0	359.514	1.990	20	30		FDEDRO
CCc1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C2)cc(=O)[nH]1	ZINC001104424498	783305778	/nfs/dbraw/zinc/30/57/78/783305778.db2.gz	HRQFJTUDDVNCOM-HZPDHXFCSA-N	1	0	359.470	1.687	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2ccnnc2C)C[C@H]1c1ccccc1	ZINC001211629277	783717685	/nfs/dbraw/zinc/71/76/85/783717685.db2.gz	ICUTXQMFSDYXDT-VQTJNVASSA-N	1	0	364.449	1.633	20	30		FDEDRO
C=CCn1c([C@H]2CCO[C@@H]2C)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1	ZINC000647371484	783731082	/nfs/dbraw/zinc/73/10/82/783731082.db2.gz	RGJJSUUOWSRPIG-TWMKSMIVSA-N	1	0	363.506	1.902	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccnc1C)C2	ZINC001112519116	783754315	/nfs/dbraw/zinc/75/43/15/783754315.db2.gz	VGXBDWJDCGFEEK-FIKGOQFSSA-N	1	0	368.481	1.360	20	30		FDEDRO
CCCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CNC(=O)N1)C2	ZINC001112519289	783804070	/nfs/dbraw/zinc/80/40/70/783804070.db2.gz	CRGITZGIDGFPHG-FCEWJHQRSA-N	1	0	350.507	1.857	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1Cc3ccccc31)C2	ZINC001112519785	783845238	/nfs/dbraw/zinc/84/52/38/783845238.db2.gz	ZNFZSCJJXJDNRY-MDKPJZGXSA-N	1	0	366.465	1.184	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2c(C)nnn2CC)C1	ZINC001024164370	784152617	/nfs/dbraw/zinc/15/26/17/784152617.db2.gz	BGDSQAAJPITDDY-JZXOWHBKSA-N	1	0	361.490	1.526	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1	ZINC000658522393	784230945	/nfs/dbraw/zinc/23/09/45/784230945.db2.gz	OLNSQYSPFSKCIV-IAGOWNOFSA-N	1	0	351.491	1.370	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCCC(=O)N2)C[C@H]1c1ccccc1	ZINC001211631569	784816942	/nfs/dbraw/zinc/81/69/42/784816942.db2.gz	HBGGXXKXSRJNCB-GBESFXJTSA-N	1	0	353.466	1.653	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CCN(c3nc(Cl)c(C#N)s3)C2)CC[N@@H+]1C	ZINC001058580095	784827107	/nfs/dbraw/zinc/82/71/07/784827107.db2.gz	FSYSXPZGOWIWHB-OUAUKWLOSA-N	1	0	353.879	1.703	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3ccc4c(c3)OCCO4)[C@H]2C1	ZINC001083267397	785079151	/nfs/dbraw/zinc/07/91/51/785079151.db2.gz	ZJGXVUKDLOMVFQ-QFBILLFUSA-N	1	0	358.438	1.488	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN(CC(=O)NCc3ccc(C#N)cc3)C2)CC1	ZINC000375889065	785223819	/nfs/dbraw/zinc/22/38/19/785223819.db2.gz	JADZOHCQGXGPCV-HXUWFJFHSA-N	1	0	369.513	1.275	20	30		FDEDRO
CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000365095607	785291609	/nfs/dbraw/zinc/29/16/09/785291609.db2.gz	IVMIUVKISFHGEW-CRAIPNDOSA-N	1	0	356.470	1.896	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1	ZINC001024648691	785609069	/nfs/dbraw/zinc/60/90/69/785609069.db2.gz	JOPWUFRMTJWAPC-GPMSIDNRSA-N	1	0	356.426	1.238	20	30		FDEDRO
C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1	ZINC001024650808	785619131	/nfs/dbraw/zinc/61/91/31/785619131.db2.gz	MSJWSAUOSWZYGR-FGTMMUONSA-N	1	0	363.502	1.703	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H]2CCNC2=O)C1	ZINC001211734557	786006645	/nfs/dbraw/zinc/00/66/45/786006645.db2.gz	YBYCHVKKWWLJKZ-RCCFBDPRSA-N	1	0	357.454	1.052	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1conc1C1CC1)C2	ZINC001112527961	805654984	/nfs/dbraw/zinc/65/49/84/805654984.db2.gz	FQRCUCIJBYOJLX-YWZLYKJASA-N	1	0	370.453	1.133	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC000978711374	805687737	/nfs/dbraw/zinc/68/77/37/805687737.db2.gz	BRMPUHXKEUUUMN-XCDZQEORSA-N	1	0	366.465	1.077	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CC3(CC3)C1)C2	ZINC001112528302	805687935	/nfs/dbraw/zinc/68/79/35/805687935.db2.gz	VZRJTBOYMBIVCZ-WJPUGNRLSA-N	1	0	357.498	1.533	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc4c(cccc4OC)[nH]3)[C@H]2C1	ZINC001083273307	786711703	/nfs/dbraw/zinc/71/17/03/786711703.db2.gz	LCYHZNLJAWUFGT-PKOBYXMFSA-N	1	0	353.422	1.725	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1c1ccccc1	ZINC001211637831	786741500	/nfs/dbraw/zinc/74/15/00/786741500.db2.gz	XHZGOPIYMIEGGJ-DLBZAZTESA-N	1	0	352.438	1.554	20	30		FDEDRO
C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21	ZINC000978736017	805726019	/nfs/dbraw/zinc/72/60/19/805726019.db2.gz	WDXAPXRCVAHYQP-FZWVUDROSA-N	1	0	357.429	1.916	20	30		FDEDRO
COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cnc3ccc(C#N)cn23)C1	ZINC000511475830	786973572	/nfs/dbraw/zinc/97/35/72/786973572.db2.gz	FXJCSYYGDIQUMU-ZBFHGGJFSA-N	1	0	355.442	1.569	20	30		FDEDRO
CCOC(=O)C(C)N=Nc1cc(-n2ccc(C[NH3+])cc2=N)ccc1[N+](=O)[O-]	ZINC001167693396	787016208	/nfs/dbraw/zinc/01/62/08/787016208.db2.gz	LNXNVYAZAKAGHU-XLVSPCOWSA-N	1	0	372.385	1.675	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1	ZINC000658902594	787142369	/nfs/dbraw/zinc/14/23/69/787142369.db2.gz	YSNQNAQWRCJWQX-KRWDZBQOSA-N	1	0	373.453	1.248	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)NCCn2cnc(C#N)n2)CC[N@@H+]1Cc1ccccc1	ZINC000376300419	787191900	/nfs/dbraw/zinc/19/19/00/787191900.db2.gz	JKKKULLLDZTLPT-RDJZCZTQSA-N	1	0	367.457	1.502	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1	ZINC000936124310	787315290	/nfs/dbraw/zinc/31/52/90/787315290.db2.gz	MQCJVDGSQKDFEB-ZACQAIPSSA-N	1	0	361.486	1.171	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1	ZINC000978821700	805796977	/nfs/dbraw/zinc/79/69/77/805796977.db2.gz	ZDWWNLNRQVTKIM-ILOCAZANSA-N	1	0	363.502	1.461	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1ccccc1	ZINC000892602113	787591579	/nfs/dbraw/zinc/59/15/79/787591579.db2.gz	UTFWFDAZOVGGPP-IYWMVGAKSA-N	1	0	367.497	1.937	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1	ZINC000892605785	787628323	/nfs/dbraw/zinc/62/83/23/787628323.db2.gz	UPNDCUJXIXGWAK-ACDBMABISA-N	1	0	367.497	1.916	20	30		FDEDRO
C=CCn1cc(C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)nn1	ZINC000648248039	787706384	/nfs/dbraw/zinc/70/63/84/787706384.db2.gz	WJBWYSXWTZLIKI-UHFFFAOYSA-N	1	0	368.441	1.414	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cncc(OC)n2)C[C@H]1c1ccccc1	ZINC001211684414	805827142	/nfs/dbraw/zinc/82/71/42/805827142.db2.gz	WZNBFPGGBOPQKI-FUHWJXTLSA-N	1	0	350.422	1.706	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)[C@@H]2C1	ZINC000978851812	805830342	/nfs/dbraw/zinc/83/03/42/805830342.db2.gz	GFGRWIUASVFSBL-IEWDOMPSSA-N	1	0	358.486	1.548	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCOCC2)C1	ZINC001104563812	787932334	/nfs/dbraw/zinc/93/23/34/787932334.db2.gz	VWPXBXUNCGWLKG-FGTMMUONSA-N	1	0	365.518	1.522	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2C(=O)CNC2=O)C1	ZINC001104564885	787948538	/nfs/dbraw/zinc/94/85/38/787948538.db2.gz	TWWDPCZRTNNZQV-OWCLPIDISA-N	1	0	364.490	1.215	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CNC(=O)[C@@H](C)CC)C1	ZINC001111989233	788259387	/nfs/dbraw/zinc/25/93/87/788259387.db2.gz	ZQSAFOUOUFEEOF-BXWFABGCSA-N	1	0	351.491	1.322	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2csc(C)n2)C[C@H]1C	ZINC001104576929	788313515	/nfs/dbraw/zinc/31/35/15/788313515.db2.gz	DIAHDONCVJKZRI-TZMCWYRMSA-N	1	0	350.488	1.442	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2COCCN2C2CCCC2)C[C@H]1C	ZINC001104577547	788350456	/nfs/dbraw/zinc/35/04/56/788350456.db2.gz	SXELJDMCXLLMLB-GGPKGHCWSA-N	1	0	361.530	1.727	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCS(=O)(=O)N(C)C)C1	ZINC001111999758	788514311	/nfs/dbraw/zinc/51/43/11/788514311.db2.gz	ZJIRIVGIDHGBAF-RYRKJORJSA-N	1	0	371.547	1.593	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1	ZINC000973325915	788614784	/nfs/dbraw/zinc/61/47/84/788614784.db2.gz	NHBQQNRVDGHANI-DZVNLGKHSA-N	1	0	363.502	1.605	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCCC2(F)F)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104587553	788736021	/nfs/dbraw/zinc/73/60/21/788736021.db2.gz	AHNYDSPBCPJGTE-RBSFLKMASA-N	1	0	370.444	1.526	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc3n[nH]cc3c2)C[C@H]1C	ZINC001104594563	788784470	/nfs/dbraw/zinc/78/44/70/788784470.db2.gz	KRTNGMWCORCQIV-GDBMZVCRSA-N	1	0	369.469	1.553	20	30		FDEDRO
CCc1ccccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104600052	788834945	/nfs/dbraw/zinc/83/49/45/788834945.db2.gz	REVBFQGTVBFMOR-NVXWUHKLSA-N	1	0	356.470	1.577	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(CC=C)CCC2)C[C@H]1C	ZINC001104639083	789111855	/nfs/dbraw/zinc/11/18/55/789111855.db2.gz	JVQCJYYFFVEXEM-FGTMMUONSA-N	1	0	359.514	1.945	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC(C)C)OC)C[C@H]1C	ZINC001104640580	789112756	/nfs/dbraw/zinc/11/27/56/789112756.db2.gz	JIFFOEJPMKOCPI-ZACQAIPSSA-N	1	0	353.507	1.424	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)N(C)C)C2)c1	ZINC001104659826	789209963	/nfs/dbraw/zinc/20/99/63/789209963.db2.gz	VQRDQOGFRQCXCE-BFYDXBDKSA-N	1	0	356.470	1.227	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccnc(-n3cccn3)c2)C[C@H]1C	ZINC001104667445	789273924	/nfs/dbraw/zinc/27/39/24/789273924.db2.gz	MWSUDGDCHYATSG-SJLPKXTDSA-N	1	0	351.454	1.978	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1	ZINC001104670141	789278938	/nfs/dbraw/zinc/27/89/38/789278938.db2.gz	RTPTZLXAZIACPP-FPDPHYFHSA-N	1	0	368.481	1.659	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC(C)C)C1	ZINC001104699631	789519749	/nfs/dbraw/zinc/51/97/49/789519749.db2.gz	BXUJWHBCWOIFDY-TVFCKZIOSA-N	1	0	365.518	1.424	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)c2c(C)c[nH]c2CC(N)=O)C[C@H]1C	ZINC001104705703	789555430	/nfs/dbraw/zinc/55/54/30/789555430.db2.gz	AMYQMJYPXDUPAX-TZMCWYRMSA-N	1	0	366.893	1.791	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC[C@H]2CCCCO2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104744500	791221986	/nfs/dbraw/zinc/22/19/86/791221986.db2.gz	OJTBEJIWKMFFMW-BRWVUGGUSA-N	1	0	364.490	1.050	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCn2cnc(C#N)n2)C1	ZINC000377215853	791274394	/nfs/dbraw/zinc/27/43/94/791274394.db2.gz	FIUUYSROERKNOC-JKSUJKDBSA-N	1	0	359.478	1.446	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1cccnc1C)C2	ZINC001112529088	806086207	/nfs/dbraw/zinc/08/62/07/806086207.db2.gz	FAEUVYWUDWGYNZ-RXVVDRJESA-N	1	0	370.497	1.453	20	30		FDEDRO
CCc1nc(CN2C[C@@H]3C[NH+](CCOc4cccc(C#N)c4)C[C@H]3C2)no1	ZINC000377431906	791816920	/nfs/dbraw/zinc/81/69/20/791816920.db2.gz	KUJCIELLKHRDON-IRXDYDNUSA-N	1	0	367.453	1.946	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN[C@@H]1CN(C(=O)C2CC2)C[C@H]1C(F)(F)F	ZINC001112031277	791913797	/nfs/dbraw/zinc/91/37/97/791913797.db2.gz	CDHLCQQFXPULRW-ZIAGYGMSSA-N	1	0	361.408	1.800	20	30		FDEDRO
C[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1	ZINC000415386374	792170073	/nfs/dbraw/zinc/17/00/73/792170073.db2.gz	BIBYWSDWERMVPX-UHFFFAOYSA-N	1	0	358.442	1.742	20	30		FDEDRO
C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1	ZINC000415432071	792259212	/nfs/dbraw/zinc/25/92/12/792259212.db2.gz	FLNOBPLAQFEDLU-OCCSQVGLSA-N	1	0	356.405	2.474	20	30		FDEDRO
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)c1C	ZINC000415446401	792283096	/nfs/dbraw/zinc/28/30/96/792283096.db2.gz	SYSAYXMSNUNGLL-INIZCTEOSA-N	1	0	368.441	1.399	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2Cc3cccc(OC)c3C2)CC1	ZINC000636676805	806143494	/nfs/dbraw/zinc/14/34/94/806143494.db2.gz	MHAKRBFSUMPYTA-UHFFFAOYSA-N	1	0	357.454	1.694	20	30		FDEDRO
C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000415500065	792387736	/nfs/dbraw/zinc/38/77/36/792387736.db2.gz	RYPZTVQZEICOHK-IBGZPJMESA-N	1	0	362.433	1.630	20	30		FDEDRO
C[NH2+]CCC1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1	ZINC000415554829	792514096	/nfs/dbraw/zinc/51/40/96/792514096.db2.gz	SWZBXMTXMGZKTN-UHFFFAOYSA-N	1	0	359.474	1.901	20	30		FDEDRO
C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1	ZINC000472840071	792570073	/nfs/dbraw/zinc/57/00/73/792570073.db2.gz	NNMFLFJSBWEVCD-UHFFFAOYSA-N	1	0	369.469	1.988	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1	ZINC000377765317	792752035	/nfs/dbraw/zinc/75/20/35/792752035.db2.gz	UVXGDSKERDASSD-HOTGVXAUSA-N	1	0	364.490	1.937	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C/C=C(/C)C=C)C[C@H]1c1ccccc1	ZINC001211650596	792758551	/nfs/dbraw/zinc/75/85/51/792758551.db2.gz	OJZFPVZKYQUVSP-UKDPKUHJSA-N	1	0	365.477	1.842	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C(F)(F)F	ZINC001112040876	792778817	/nfs/dbraw/zinc/77/88/17/792778817.db2.gz	DWXLPELKDXBPHD-CHWSQXEVSA-N	1	0	360.384	1.398	20	30		FDEDRO
C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000415743899	792913747	/nfs/dbraw/zinc/91/37/47/792913747.db2.gz	MFDCAGNCYMXUHA-SKDRFNHKSA-N	1	0	370.331	1.386	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1	ZINC000415757019	792927656	/nfs/dbraw/zinc/92/76/56/792927656.db2.gz	BMHRCOHNUVYWBY-HUUCEWRRSA-N	1	0	356.426	1.494	20	30		FDEDRO
C[C@@H](CCC[NH3+])NC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000415760652	792938927	/nfs/dbraw/zinc/93/89/27/792938927.db2.gz	MGLLYIMKYLXJGR-HNNXBMFYSA-N	1	0	350.422	1.664	20	30		FDEDRO
C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1OCCO[C@H]1C)C[C@H](C)O2	ZINC001098605765	792940898	/nfs/dbraw/zinc/94/08/98/792940898.db2.gz	KQJIHHHOWJELSN-ULQDDVLXSA-N	1	0	352.475	1.448	20	30		FDEDRO
O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1	ZINC000415772921	792956523	/nfs/dbraw/zinc/95/65/23/792956523.db2.gz	UPEGVVGFSJVGLD-XLIONFOSSA-N	1	0	374.444	1.630	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1	ZINC000415770948	792968198	/nfs/dbraw/zinc/96/81/98/792968198.db2.gz	QVSGVSKQXMEOGR-NEPJUHHUSA-N	1	0	364.352	1.309	20	30		FDEDRO
C[C@H]1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C[C@@H]1C[NH3+]	ZINC000415840259	793111924	/nfs/dbraw/zinc/11/19/24/793111924.db2.gz	FZMAERYOLIGQHZ-GJZGRUSLSA-N	1	0	358.442	1.751	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)ccc1OC(F)(F)F	ZINC000415843035	793159268	/nfs/dbraw/zinc/15/92/68/793159268.db2.gz	RWZJMGCQPYMDDK-ONGXEEELSA-N	1	0	370.331	1.639	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccn(CC)n2)C[C@H]1C	ZINC001104754962	793420518	/nfs/dbraw/zinc/42/05/18/793420518.db2.gz	LRKSSFQGJSDZQY-OWCLPIDISA-N	1	0	361.490	1.282	20	30		FDEDRO
C=CCC[C@@H](CO)NC(=O)Nc1ccccc1OCCN1CC[NH2+]CC1	ZINC000416028847	793511904	/nfs/dbraw/zinc/51/19/04/793511904.db2.gz	MUEXFDFBSQHYJW-INIZCTEOSA-N	1	0	362.474	1.419	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cc(C)ncn3)C2)nn1	ZINC001104769183	793554690	/nfs/dbraw/zinc/55/46/90/793554690.db2.gz	HRURZDNYRPHRFI-GDBMZVCRSA-N	1	0	369.473	1.451	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]C[C@H]3CCOC3)C2)nn1	ZINC001104777400	793598863	/nfs/dbraw/zinc/59/88/63/793598863.db2.gz	IUIKRRGZWASZJI-BRWVUGGUSA-N	1	0	361.490	1.579	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCC2)C1	ZINC001104782494	793632648	/nfs/dbraw/zinc/63/26/48/793632648.db2.gz	DXDPILBUMLKRKH-VXNCWWDNSA-N	1	0	363.502	1.274	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCCC2)C[C@H]1C	ZINC001104787243	793664731	/nfs/dbraw/zinc/66/47/31/793664731.db2.gz	CPWXKNDAMDTPHU-HZPDHXFCSA-N	1	0	354.516	1.441	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)N2CCOCC2)C[C@H]1C	ZINC001104794943	793721492	/nfs/dbraw/zinc/72/14/92/793721492.db2.gz	JKNZQFSYUORADS-QZTJIDSGSA-N	1	0	367.534	1.374	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1	ZINC000378318116	793938148	/nfs/dbraw/zinc/93/81/48/793938148.db2.gz	WQYPOSXWCNQYRR-QFBILLFUSA-N	1	0	371.485	1.277	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cc(C)nc3c2cnn3C)C[C@H]1C	ZINC001104839244	793990829	/nfs/dbraw/zinc/99/08/29/793990829.db2.gz	QFLAUDWMJMRYEN-GDBMZVCRSA-N	1	0	353.470	1.988	20	30		FDEDRO
CN(C(=O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1)C1(C#N)CCCCC1	ZINC000378364096	794020667	/nfs/dbraw/zinc/02/06/67/794020667.db2.gz	OIOXYABAKBOHST-MSOLQXFVSA-N	1	0	373.501	1.993	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1CC[NH2+]CC#Cc1ccccc1	ZINC001104846459	794040084	/nfs/dbraw/zinc/04/00/84/794040084.db2.gz	WUGGUTVXXSTORQ-YLJYHZDGSA-N	1	0	367.493	1.639	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cn(C[C@H]3CCOC3)nn2)C[C@H]1C	ZINC001104852247	794076577	/nfs/dbraw/zinc/07/65/77/794076577.db2.gz	MQWXHXTTWSHPQE-BRWVUGGUSA-N	1	0	359.474	1.026	20	30		FDEDRO
COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)c1	ZINC000182405511	794098058	/nfs/dbraw/zinc/09/80/58/794098058.db2.gz	VJXDLGBMUPTYMK-QAPCUYQASA-N	1	0	374.485	1.744	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)CCCOC)C[C@H]1C	ZINC001104882099	794195489	/nfs/dbraw/zinc/19/54/89/794195489.db2.gz	MFHUFENNWFWEQA-GVDBMIGSSA-N	1	0	353.507	1.426	20	30		FDEDRO
CC[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C1	ZINC001104883109	794198878	/nfs/dbraw/zinc/19/88/78/794198878.db2.gz	YRRQIYIONNYCAN-KZNAEPCWSA-N	1	0	363.502	1.111	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cn(C)nc2Cl)C[C@H]1C	ZINC001104899015	794296948	/nfs/dbraw/zinc/29/69/48/794296948.db2.gz	YUGIYTZKOSOFCO-ZIAGYGMSSA-N	1	0	352.866	1.411	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1	ZINC001058810119	806321209	/nfs/dbraw/zinc/32/12/09/806321209.db2.gz	HRUMIPKKEBTSFQ-MXASKKJJSA-N	1	0	368.485	1.430	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)c2cccnc2)C[C@H]1C	ZINC001104920855	794391804	/nfs/dbraw/zinc/39/18/04/794391804.db2.gz	YWAOKQKKYIAOKF-JFIYKMOQSA-N	1	0	358.486	1.562	20	30		FDEDRO
Cc1ccc([C@H](C)C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)cc1	ZINC001104921578	794403864	/nfs/dbraw/zinc/40/38/64/794403864.db2.gz	IXCLZFWJHWUUHM-ZIFCJYIRSA-N	1	0	370.497	1.813	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H](C)n2cncn2)C1	ZINC001087425941	806328095	/nfs/dbraw/zinc/32/80/95/806328095.db2.gz	CGQVCFQMKXEZEA-QXAKKESOSA-N	1	0	351.454	1.837	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C3CC3)C2)cn1	ZINC001104926744	794424572	/nfs/dbraw/zinc/42/45/72/794424572.db2.gz	BFPJSNCSPFTMPB-NVXWUHKLSA-N	1	0	368.481	1.372	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104928742	794440544	/nfs/dbraw/zinc/44/05/44/794440544.db2.gz	GYDBOJSADPJIDB-OQIJWPOYSA-N	1	0	368.481	1.504	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)C2(C(=O)NC)CCC2)C[C@H]1C	ZINC001104938294	794486114	/nfs/dbraw/zinc/48/61/14/794486114.db2.gz	SECSCOAIGDTXGB-HZPDHXFCSA-N	1	0	351.491	1.180	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(OC)cc2)C[C@H]1C	ZINC001104943073	794502877	/nfs/dbraw/zinc/50/28/77/794502877.db2.gz	BGEREFQUHSAURB-NVXWUHKLSA-N	1	0	359.470	1.685	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCc2ccccc2)C[C@H]1C	ZINC001104944872	794506277	/nfs/dbraw/zinc/50/62/77/794506277.db2.gz	ZMCVMTGPNNMXBW-WSTZPKSXSA-N	1	0	369.509	1.831	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ncccc2OC)C[C@H]1C	ZINC001104949545	794529227	/nfs/dbraw/zinc/52/92/27/794529227.db2.gz	ZXKFDWVXRSXOQI-HUUCEWRRSA-N	1	0	360.458	1.080	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@H]1C	ZINC001104957964	794574291	/nfs/dbraw/zinc/57/42/91/794574291.db2.gz	YFJVGPOPCKQNQP-RBSFLKMASA-N	1	0	371.472	1.880	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cn(C)nc2C)C1	ZINC001112069735	794745055	/nfs/dbraw/zinc/74/50/55/794745055.db2.gz	LHWSDIVTDVCLSP-ZIAGYGMSSA-N	1	0	360.380	1.410	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc3ccccc3[nH]2)C[C@H]1C	ZINC001104988827	794749201	/nfs/dbraw/zinc/74/92/01/794749201.db2.gz	KDOHUHRKQSNTSD-NVXWUHKLSA-N	1	0	366.465	1.605	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)n2)C[C@H]1C	ZINC001104993864	794775379	/nfs/dbraw/zinc/77/53/79/794775379.db2.gz	GJAKSOMDGIPQKH-IAGOWNOFSA-N	1	0	351.454	1.978	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccccc2-n2cnnn2)C[C@H]1C	ZINC001104997262	794799540	/nfs/dbraw/zinc/79/95/40/794799540.db2.gz	WECGWPUZQCSKFR-HZPDHXFCSA-N	1	0	352.442	1.373	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C(N)=O)cc2)C[C@H]1C	ZINC001104998214	794816149	/nfs/dbraw/zinc/81/61/49/794816149.db2.gz	GVBOURZSOYYWAK-CRAIPNDOSA-N	1	0	359.470	1.676	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)c2ccccc2F)C[C@H]1C	ZINC001105004858	794840603	/nfs/dbraw/zinc/84/06/03/794840603.db2.gz	MHERCIVHUSBMHZ-HZPDHXFCSA-N	1	0	359.445	1.653	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H]2CCNC(=O)CC2)C1	ZINC001105090167	795233468	/nfs/dbraw/zinc/23/34/68/795233468.db2.gz	LVUBYJHAEPGYIM-KZNAEPCWSA-N	1	0	365.518	1.570	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC2CC2)C1	ZINC001105090565	795235604	/nfs/dbraw/zinc/23/56/04/795235604.db2.gz	ZYFHTZQPTUTHFH-HLLBOEOZSA-N	1	0	351.491	1.178	20	30		FDEDRO
C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000417572888	795299519	/nfs/dbraw/zinc/29/95/19/795299519.db2.gz	GXXYFMWMCBYNJJ-KMFMINBZSA-N	1	0	359.449	1.963	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2COc3ccccc32)C[C@H]1C	ZINC001105107922	795310047	/nfs/dbraw/zinc/31/00/47/795310047.db2.gz	BKTVANGCGJWBTK-JFIYKMOQSA-N	1	0	371.481	1.539	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)COC[C@@H]2CCCO2)C[C@H]1C	ZINC001105110854	795319725	/nfs/dbraw/zinc/31/97/25/795319725.db2.gz	ANVRKOLBDOVHAG-KURKYZTESA-N	1	0	354.491	1.459	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCCO2)C[C@H]1C	ZINC001105111854	795324000	/nfs/dbraw/zinc/32/40/00/795324000.db2.gz	SZZZKYNUAQQKGV-KURKYZTESA-N	1	0	365.518	1.712	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CC[C@@]2(C)CCC(=O)N2)C[C@H]1C	ZINC001105119905	795345682	/nfs/dbraw/zinc/34/56/82/795345682.db2.gz	HCXXELCMZUEHOV-MBOZVWFJSA-N	1	0	365.518	1.712	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCC([NH2+]CCc2ccnn2C)CC1	ZINC001026496100	795456318	/nfs/dbraw/zinc/45/63/18/795456318.db2.gz	KMQSYWXPHYUQSR-HWMSQKFYSA-N	1	0	360.502	1.961	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC1CCC([NH2+]Cc2ccc(C#N)cc2)CC1	ZINC001026509572	795483224	/nfs/dbraw/zinc/48/32/24/795483224.db2.gz	YINRPWKLOSSETP-QKHJWGRCSA-N	1	0	357.454	1.879	20	30		FDEDRO
C=CC[N@@H+](CCN1CCO[C@H](C)C1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000500099760	795489740	/nfs/dbraw/zinc/48/97/40/795489740.db2.gz	QUWYAWCYTCCMSA-IAGOWNOFSA-N	1	0	356.474	1.932	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCC([NH2+]Cc2cnn(CC)n2)CC1	ZINC001026575222	795573458	/nfs/dbraw/zinc/57/34/58/795573458.db2.gz	HZLJREVZQQTXIV-RLNQZENFSA-N	1	0	361.490	1.796	20	30		FDEDRO
Cn1ccnc1CN1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1	ZINC000500237160	795671486	/nfs/dbraw/zinc/67/14/86/795671486.db2.gz	CRCBRIXUKPSEDK-UHFFFAOYSA-N	1	0	352.442	1.438	20	30		FDEDRO
C[NH2+]CCCNC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000418280950	795689206	/nfs/dbraw/zinc/68/92/06/795689206.db2.gz	TVUXRYHBGVEEBN-UHFFFAOYSA-N	1	0	352.442	1.548	20	30		FDEDRO
Cc1c(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)ccc2c[nH+]cn21	ZINC001026619521	795696431	/nfs/dbraw/zinc/69/64/31/795696431.db2.gz	PWSVGZIMHWWJFU-FZKQIMNGSA-N	1	0	350.422	1.633	20	30		FDEDRO
C=C1CCC(C(=O)N(CCO)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001058726649	795844897	/nfs/dbraw/zinc/84/48/97/795844897.db2.gz	GQZAIJRAWVBZAW-NVXWUHKLSA-N	1	0	351.491	1.010	20	30		FDEDRO
N#Cc1c(N)n(-c2ccc(F)cc2)nc1CCCNC(=O)N[C@H]1CC[NH2+]C1	ZINC000418389061	795859181	/nfs/dbraw/zinc/85/91/81/795859181.db2.gz	SYIIMBMJGUYERK-ZDUSSCGKSA-N	1	0	371.420	1.059	20	30		FDEDRO
N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)N[C@H](C[NH3+])C1CC1	ZINC000418400700	795868274	/nfs/dbraw/zinc/86/82/74/795868274.db2.gz	MRKDNHMWKMJAQZ-QGZVFWFLSA-N	1	0	367.457	1.295	20	30		FDEDRO
CCC([NH3+])(CC)CNC(=O)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000418430479	795913647	/nfs/dbraw/zinc/91/36/47/795913647.db2.gz	UXINSORCBJKZFW-BFUOFWGJSA-N	1	0	355.442	1.559	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000783264863	795940037	/nfs/dbraw/zinc/94/00/37/795940037.db2.gz	VPYBZGAWRSEPIJ-HUUCEWRRSA-N	1	0	357.520	1.539	20	30		FDEDRO
C[C@H](C[NH3+])CNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000418462092	795953774	/nfs/dbraw/zinc/95/37/74/795953774.db2.gz	BAMHBIDMANZDSW-GFCCVEGCSA-N	1	0	358.402	1.233	20	30		FDEDRO
CC1(CNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC[NH2+]CC1	ZINC000418517224	796066034	/nfs/dbraw/zinc/06/60/34/796066034.db2.gz	KSQMTVPWPPMWBT-UHFFFAOYSA-N	1	0	359.449	1.919	20	30		FDEDRO
Cc1onc(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1C#N	ZINC000500403779	796066894	/nfs/dbraw/zinc/06/68/94/796066894.db2.gz	BGKKLYXIQVCUAH-AEFFLSMTSA-N	1	0	368.437	1.396	20	30		FDEDRO
CON=Cc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc1	ZINC000759902250	796087926	/nfs/dbraw/zinc/08/79/26/796087926.db2.gz	GJIWNFQMAKVYNE-KRWDZBQOSA-N	1	0	362.474	1.489	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000979857025	806566590	/nfs/dbraw/zinc/56/65/90/806566590.db2.gz	MXCSWSFTKSSNKA-WJQMWINMSA-N	1	0	363.502	1.319	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1	ZINC000974578369	799835375	/nfs/dbraw/zinc/83/53/75/799835375.db2.gz	ZGKJMAYGGHBNIL-YQVWRLOYSA-N	1	0	370.497	1.689	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)CC1	ZINC001112523217	799845938	/nfs/dbraw/zinc/84/59/38/799845938.db2.gz	ICVGNQFUEWLVHY-PXNSSMCTSA-N	1	0	358.486	1.591	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[N@@H+](CCN2CCCC2=O)CC1(C)C	ZINC000974585942	799875379	/nfs/dbraw/zinc/87/53/79/799875379.db2.gz	AQAILINILWHRKZ-IKGGRYGDSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CCC(=C)CC1)C2	ZINC001112523478	799982420	/nfs/dbraw/zinc/98/24/20/799982420.db2.gz	VTIASQOQPBWHDD-RXVVDRJESA-N	1	0	357.498	1.701	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnc(C)n2CC)C1	ZINC001026850451	799992660	/nfs/dbraw/zinc/99/26/60/799992660.db2.gz	VVUZDTMRQHFXEB-ZACQAIPSSA-N	1	0	361.490	1.526	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccnc(OC)n2)C1	ZINC001026849667	800015208	/nfs/dbraw/zinc/01/52/08/800015208.db2.gz	BOEXLVUXGFJUED-OIISXLGYSA-N	1	0	360.458	1.405	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccoc2CC(N)=O)C[C@H]1c1ccccc1	ZINC001211659534	800085633	/nfs/dbraw/zinc/08/56/33/800085633.db2.gz	MDYFDHXYQAWERG-ZWKOTPCHSA-N	1	0	365.433	1.529	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]21	ZINC000974690465	800094296	/nfs/dbraw/zinc/09/42/96/800094296.db2.gz	BFHDZZNZJWMPGU-HSALFYBXSA-N	1	0	367.493	1.610	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CC1(C)C	ZINC000974694419	800106232	/nfs/dbraw/zinc/10/62/32/800106232.db2.gz	UBXURUYAPGSSNE-QGTPRVQTSA-N	1	0	357.454	1.689	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)C[C@@H]4CC[N@@H+](C)C4)C[C@H]32)cc1	ZINC000974702209	800121309	/nfs/dbraw/zinc/12/13/09/800121309.db2.gz	PRSWQMCHRRVFMY-DFQSSKMNSA-N	1	0	365.477	1.683	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1c1ccccc1	ZINC001211659911	800184720	/nfs/dbraw/zinc/18/47/20/800184720.db2.gz	RTFIZBAZJLEXCP-FUHWJXTLSA-N	1	0	352.438	1.934	20	30		FDEDRO
C=C(C)Cn1c(-c2ccc(=O)n(C)c2)nnc1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1	ZINC000909344936	800546649	/nfs/dbraw/zinc/54/66/49/800546649.db2.gz	RBNHJEZWQDYREW-NVXWUHKLSA-N	1	0	368.485	1.750	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCN(C(=O)Cc3ccccc3C)CC2)CCC[NH2+]1	ZINC000662550094	806843589	/nfs/dbraw/zinc/84/35/89/806843589.db2.gz	AFGJMYHPEBPFSI-NRFANRHFSA-N	1	0	355.482	1.907	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C(C)(F)F)CC1)C2	ZINC001112530566	806875283	/nfs/dbraw/zinc/87/52/83/806875283.db2.gz	ALOKMGLKPTUDAU-KSSFIOAISA-N	1	0	369.456	1.942	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nncs2)C1	ZINC001027114236	800988273	/nfs/dbraw/zinc/98/82/73/800988273.db2.gz	UCUIFOPXGNNURS-DZKIICNBSA-N	1	0	350.488	1.848	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nc(C3CC3)no2)C1	ZINC001027117313	801016046	/nfs/dbraw/zinc/01/60/46/801016046.db2.gz	VJPZXMRGOTXCOB-KMFMINBZSA-N	1	0	360.458	1.866	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@]23C[C@H]2COC3)cc1	ZINC001027896017	806885964	/nfs/dbraw/zinc/88/59/64/806885964.db2.gz	FKVRZZZIPCNSKN-QKLQHJQFSA-N	1	0	355.438	1.706	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4CC45CC5)[C@@H]3C2)CC1	ZINC000975399064	801242984	/nfs/dbraw/zinc/24/29/84/801242984.db2.gz	BOPUZCGFMVSWCE-FGTMMUONSA-N	1	0	355.482	1.191	20	30		FDEDRO
C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(OCCCN2CC[NH+](C)CC2)cc1	ZINC000651616656	801362563	/nfs/dbraw/zinc/36/25/63/801362563.db2.gz	IHSWPTGMAOEFDL-MRXNPFEDSA-N	1	0	374.485	1.332	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]21	ZINC000975671289	801905730	/nfs/dbraw/zinc/90/57/30/801905730.db2.gz	UZDWYKVTGHBCOW-MPGHIAIKSA-N	1	0	369.469	1.434	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]21	ZINC000975662665	801917475	/nfs/dbraw/zinc/91/74/75/801917475.db2.gz	PBUJWAFFHIXHBI-JQFCIGGWSA-N	1	0	355.442	1.044	20	30		FDEDRO
C=CC[C@]1(C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)CCC[NH2+]1	ZINC000662674723	806949912	/nfs/dbraw/zinc/94/99/12/806949912.db2.gz	FVYWFVMGEXURKB-OAQYLSRUSA-N	1	0	370.497	1.389	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C1	ZINC000975699107	802051553	/nfs/dbraw/zinc/05/15/53/802051553.db2.gz	ZYPRXVJLAQSXRN-FHWLQOOXSA-N	1	0	355.482	1.191	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@H]2C1	ZINC000975700220	802058653	/nfs/dbraw/zinc/05/86/53/802058653.db2.gz	ZSRNGKACTVUJFX-LPHOPBHVSA-N	1	0	362.433	1.811	20	30		FDEDRO
C=CC[C@]1(C(=O)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)CCC[NH2+]1	ZINC000662685833	806958698	/nfs/dbraw/zinc/95/86/98/806958698.db2.gz	YUOWNWNCHDWEPO-FXAWDEMLSA-N	1	0	356.470	1.773	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CCN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]32)cn1	ZINC000975778163	802329930	/nfs/dbraw/zinc/32/99/30/802329930.db2.gz	BQZFEMJYKRLKRF-IPELMVKDSA-N	1	0	368.481	1.466	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CCN(C(=O)[C@H]4CCC[N@H+]4C)[C@H]3C2)cc1	ZINC000975843744	802571501	/nfs/dbraw/zinc/57/15/01/802571501.db2.gz	FPNOQCSMZZXTKL-SXLOBPIMSA-N	1	0	365.477	1.825	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000661117073	802755517	/nfs/dbraw/zinc/75/55/17/802755517.db2.gz	NVLZYSRHCTWRQV-CJNGLKHVSA-N	1	0	351.472	1.997	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)CCC[NH2+]1	ZINC000662709896	802827277	/nfs/dbraw/zinc/82/72/77/802827277.db2.gz	UQCRAUQCJWKTRX-NRFANRHFSA-N	1	0	370.497	1.145	20	30		FDEDRO
O=C(C[NH2+][C@@H](CO)C1CCC1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000661154181	802883395	/nfs/dbraw/zinc/88/33/95/802883395.db2.gz	RIVPSKXTYPBQSH-INIZCTEOSA-N	1	0	354.372	1.924	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCN(Cc3noc(C(C)(C)C)n3)CC2)CCC[NH2+]1	ZINC000662739518	802982870	/nfs/dbraw/zinc/98/28/70/802982870.db2.gz	PRZVGOVAXSKOMO-IBGZPJMESA-N	1	0	361.490	1.710	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)CCC[NH2+]1	ZINC000662788331	803257621	/nfs/dbraw/zinc/25/76/21/803257621.db2.gz	IYKDSGWHUKAZQN-HXUWFJFHSA-N	1	0	353.470	1.905	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]21	ZINC000976585745	803561775	/nfs/dbraw/zinc/56/17/75/803561775.db2.gz	IUZBGUBZLKUQFH-ARAZSQDJSA-N	1	0	363.502	1.127	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC000976594452	803587453	/nfs/dbraw/zinc/58/74/53/803587453.db2.gz	CBYMBEFRIBTSIQ-SFWRJULSSA-N	1	0	365.477	1.124	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1	ZINC000423119055	814965148	/nfs/dbraw/zinc/96/51/48/814965148.db2.gz	CYUJLFAWZHFBTE-FOIQADDNSA-N	1	0	356.470	1.740	20	30		FDEDRO
N#C[C@@]1(C(=O)N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)CC2CCC1CC2	ZINC000909365055	803954618	/nfs/dbraw/zinc/95/46/18/803954618.db2.gz	FKUHYPJASYEOHC-CVVKJMNTSA-N	1	0	358.486	1.519	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C	ZINC000423185558	814983194	/nfs/dbraw/zinc/98/31/94/814983194.db2.gz	JOIQIUMOHOYUGC-GOSISDBHSA-N	1	0	356.470	1.905	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C[C@@H]2CC[N@@H+](C)C2)cn1	ZINC000976986398	804238968	/nfs/dbraw/zinc/23/89/68/804238968.db2.gz	NKKZMUFOQZWJQD-KFKAGJAMSA-N	1	0	368.481	1.562	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)Cc2ncc[nH]2)c1	ZINC000977122866	804420322	/nfs/dbraw/zinc/42/03/22/804420322.db2.gz	ZAYYEYSMNGVBHH-HZPDHXFCSA-N	1	0	351.410	1.186	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@@H]1C	ZINC000977194857	804525097	/nfs/dbraw/zinc/52/50/97/804525097.db2.gz	DLHMTEBKAAOLLV-OUWVOHMFSA-N	1	0	361.486	1.025	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1occc1C)C2	ZINC001112526303	804783626	/nfs/dbraw/zinc/78/36/26/804783626.db2.gz	BFGIMXPJFYAIGD-WWMYMODYSA-N	1	0	371.481	1.487	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1occc1C)C2	ZINC001112526302	804788378	/nfs/dbraw/zinc/78/83/78/804788378.db2.gz	BFGIMXPJFYAIGD-FIKGOQFSSA-N	1	0	371.481	1.487	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCNS(C)(=O)=O)C2)C1	ZINC001112526400	804801492	/nfs/dbraw/zinc/80/14/92/804801492.db2.gz	FVKAGGIMUSSZQB-YJBOKZPZSA-N	1	0	369.531	1.110	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]2CN(C)C(=O)[C@@H]2C[C@H]2C2CC2)CC1	ZINC000977792317	804937918	/nfs/dbraw/zinc/93/79/18/804937918.db2.gz	PNQHZWISYALBBZ-GBESFXJTSA-N	1	0	357.498	1.437	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)C1([NH+](C)C)CCC1	ZINC000977799688	804958200	/nfs/dbraw/zinc/95/82/00/804958200.db2.gz	VWMPGOZUMVWOEE-ULQDDVLXSA-N	1	0	363.502	1.511	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]2CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1	ZINC000977801317	804960255	/nfs/dbraw/zinc/96/02/55/804960255.db2.gz	SCMSQZAUGRFTQH-ATZDWAIDSA-N	1	0	353.466	1.681	20	30		FDEDRO
C=CCn1cccc1C(=O)N(C)C[C@H]1CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC000977884227	805028442	/nfs/dbraw/zinc/02/84/42/805028442.db2.gz	CFFGGYMFNBKRGA-BRWVUGGUSA-N	1	0	358.486	1.687	20	30		FDEDRO
C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1	ZINC001027574068	805064330	/nfs/dbraw/zinc/06/43/30/805064330.db2.gz	MBNFTSOOISGSTQ-FGTMMUONSA-N	1	0	370.453	1.014	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCc2ccnn2C)C1	ZINC001027612533	805366205	/nfs/dbraw/zinc/36/62/05/805366205.db2.gz	KABUHEJJZAEYIG-FHWLQOOXSA-N	1	0	360.502	1.867	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]2CN(C)C(=O)[C@@H]2C[C@H]2CCC)CC1	ZINC000978341839	805372039	/nfs/dbraw/zinc/37/20/39/805372039.db2.gz	RJDJDTPNYQWWSP-GUDVDZBRSA-N	1	0	359.514	1.827	20	30		FDEDRO
C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001027611248	805372609	/nfs/dbraw/zinc/37/26/09/805372609.db2.gz	SRKXOWOMQOPIPU-ZIFCJYIRSA-N	1	0	356.470	1.710	20	30		FDEDRO
C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001027611247	805372797	/nfs/dbraw/zinc/37/27/97/805372797.db2.gz	SRKXOWOMQOPIPU-JENIJYKNSA-N	1	0	356.470	1.710	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCc2cnn(C)c2)C1	ZINC001027613650	805380555	/nfs/dbraw/zinc/38/05/55/805380555.db2.gz	ZUUQZHSBVSVIMB-FHWLQOOXSA-N	1	0	360.502	1.867	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)C(C)(C)[NH+]1CCCC1	ZINC000978433579	805442573	/nfs/dbraw/zinc/44/25/73/805442573.db2.gz	OXUFQHWSPDZLQA-ZACQAIPSSA-N	1	0	363.502	1.511	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCNC2=O)C1	ZINC001087429792	807007879	/nfs/dbraw/zinc/00/78/79/807007879.db2.gz	CWCCLEXOCRCUQD-CEXWTWQISA-N	1	0	353.466	1.510	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1	ZINC000423534069	815106336	/nfs/dbraw/zinc/10/63/36/815106336.db2.gz	ZKKQHUZTHGYSTG-OPYAIIAOSA-N	1	0	366.465	1.497	20	30		FDEDRO
C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1	ZINC000423558798	815114827	/nfs/dbraw/zinc/11/48/27/815114827.db2.gz	DDZVUXJUKHQBJB-PBHICJAKSA-N	1	0	354.454	1.635	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)cc1	ZINC000981054072	807469477	/nfs/dbraw/zinc/46/94/77/807469477.db2.gz	ZYLXOIFMFQLIGG-QXAKKESOSA-N	1	0	353.466	1.777	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCn2cccn2)C1	ZINC001112532674	807472137	/nfs/dbraw/zinc/47/21/37/807472137.db2.gz	PWFXFWMXWKGHPU-DMUMMCEESA-N	1	0	358.486	1.693	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1	ZINC000981111661	807569989	/nfs/dbraw/zinc/56/99/89/807569989.db2.gz	WNRSYXXDYNTISE-YSVLISHTSA-N	1	0	357.458	1.385	20	30		FDEDRO
CC#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1	ZINC001087433822	807761206	/nfs/dbraw/zinc/76/12/06/807761206.db2.gz	HPZIHUFQHLSELW-KZNAEPCWSA-N	1	0	354.454	1.008	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C(=O)NCC(F)(F)F)C[C@H]1c1ccccc1	ZINC001211698213	807786209	/nfs/dbraw/zinc/78/62/09/807786209.db2.gz	DGOYUTXUOHRVNI-UONOGXRCSA-N	1	0	355.360	1.435	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@]2(CNC(=O)C2)C1	ZINC000278970169	807942570	/nfs/dbraw/zinc/94/25/70/807942570.db2.gz	XUNMBOBNDFCWMP-KUHUBIRLSA-N	1	0	358.417	1.673	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000981467105	808055052	/nfs/dbraw/zinc/05/50/52/808055052.db2.gz	PQYZKQLLTRKHBY-JXSMBQFASA-N	1	0	371.485	1.631	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3ccc(C)o3)C2)CC1	ZINC000981544252	808114904	/nfs/dbraw/zinc/11/49/04/808114904.db2.gz	GVZNVQLGLAQXGX-FUHWJXTLSA-N	1	0	371.481	1.948	20	30		FDEDRO
C[C@@H](CN1CCOCC1)[N@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000279062444	808240113	/nfs/dbraw/zinc/24/01/13/808240113.db2.gz	ISEBCSNURBTXHN-LPHOPBHVSA-N	1	0	356.470	1.706	20	30		FDEDRO
C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C2)C1	ZINC000981842627	808614135	/nfs/dbraw/zinc/61/41/35/808614135.db2.gz	GUJBAXZEWDAOAY-KGLIPLIRSA-N	1	0	362.392	1.833	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCN(C(C)=O)C2)C[C@H]1c1ccccc1	ZINC001211702721	808792859	/nfs/dbraw/zinc/79/28/59/808792859.db2.gz	AGNLBEWCJGHPKD-VWPQPMDRSA-N	1	0	367.493	1.852	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1	ZINC001087436552	808881369	/nfs/dbraw/zinc/88/13/69/808881369.db2.gz	XPOKEPGSLAMPSW-OPYAIIAOSA-N	1	0	353.466	1.653	20	30		FDEDRO
NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC2(C1)CCC[N@H+](CC#Cc1ccccc1)C2	ZINC000982015640	809031531	/nfs/dbraw/zinc/03/15/31/809031531.db2.gz	RBORPKPESDCASX-MSOLQXFVSA-N	1	0	351.450	1.084	20	30		FDEDRO
Cc1c(-c2cc(C[N@H+]3C[C@@H]4CCN(C(=O)[C@@H](C)C#N)[C@@H]4C3)on2)cnn1C	ZINC001075621247	809184909	/nfs/dbraw/zinc/18/49/09/809184909.db2.gz	SYMVKEYRRVTMRQ-XAYKYTGQSA-N	1	0	368.441	1.576	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)NCCC[C@@H]3CCC[NH2+]3)CC2)cc1	ZINC000418765956	809190372	/nfs/dbraw/zinc/19/03/72/809190372.db2.gz	KFEYSSSFMOMMLC-IBGZPJMESA-N	1	0	355.486	1.918	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CNC(=O)c2ccco2)C[C@H]1c1ccccc1	ZINC001211718413	809216884	/nfs/dbraw/zinc/21/68/84/809216884.db2.gz	LWGZCVULEHZEFP-DLBZAZTESA-N	1	0	353.422	1.780	20	30		FDEDRO
COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)NCC2(CC#N)CC2)cc1	ZINC000418836260	809256653	/nfs/dbraw/zinc/25/66/53/809256653.db2.gz	UJBBZWCDFUECPW-IRXDYDNUSA-N	1	0	370.453	1.067	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCCCC[C@@H]2C[C@H](C)O)CC1	ZINC000512416477	809286571	/nfs/dbraw/zinc/28/65/71/809286571.db2.gz	UMCFNFXIUNGGEI-IPMKNSEASA-N	1	0	364.534	1.694	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCCCC[C@@H]2C[C@H](C)O)CC1	ZINC000512416478	809286635	/nfs/dbraw/zinc/28/66/35/809286635.db2.gz	UMCFNFXIUNGGEI-OTWHNJEPSA-N	1	0	364.534	1.694	20	30		FDEDRO
C#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cn(CCC)nn2)C1	ZINC001087440427	809364315	/nfs/dbraw/zinc/36/43/15/809364315.db2.gz	AAOYTQBHZWBTHR-QZTJIDSGSA-N	1	0	351.454	1.909	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C(=O)N2CC[C@@H](C)C2)C1	ZINC001087441626	809471457	/nfs/dbraw/zinc/47/14/57/809471457.db2.gz	QWWWNLCPDAKBSD-MISYRCLQSA-N	1	0	367.493	1.852	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1	ZINC000419061440	809503600	/nfs/dbraw/zinc/50/36/00/809503600.db2.gz	UYFHIULYIOVKHF-INDMIFKZSA-N	1	0	355.482	1.794	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3nncn3C2)C[C@H]1c1ccccc1	ZINC001211729672	809674208	/nfs/dbraw/zinc/67/42/08/809674208.db2.gz	GHHLJDASURPELJ-GBESFXJTSA-N	1	0	363.465	1.448	20	30		FDEDRO
C=CCCCCNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1	ZINC000473340810	809782103	/nfs/dbraw/zinc/78/21/03/809782103.db2.gz	SFRQXQLIDOHUOP-UHFFFAOYSA-N	1	0	358.486	1.845	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1	ZINC001087443413	809798985	/nfs/dbraw/zinc/79/89/85/809798985.db2.gz	LHJWPBMXCZESTN-SJLPKXTDSA-N	1	0	352.438	1.888	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CC[NH2+]CC1)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000419208033	809821771	/nfs/dbraw/zinc/82/17/71/809821771.db2.gz	NRMNTYUGLMGROD-HNNXBMFYSA-N	1	0	362.433	1.834	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)CCCC)C[C@H]1c1ccccc1	ZINC001211732731	809826238	/nfs/dbraw/zinc/82/62/38/809826238.db2.gz	XIAXQUUYAMNMHY-ZWKOTPCHSA-N	1	0	362.495	1.419	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cn(C)c(C)cc2=O)C[C@H]1C(F)(F)F	ZINC001112119302	809957379	/nfs/dbraw/zinc/95/73/79/809957379.db2.gz	OTURQBMWQDBPGW-ZIAGYGMSSA-N	1	0	355.360	1.310	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000937053823	810034290	/nfs/dbraw/zinc/03/42/90/810034290.db2.gz	GZUDZSTUFDITNL-HLLBOEOZSA-N	1	0	357.458	1.290	20	30		FDEDRO
N#C[C@H]1CN(C(=O)NCCC[NH+]2CCCC2)CCN1Cc1ccccc1	ZINC000512679115	810047194	/nfs/dbraw/zinc/04/71/94/810047194.db2.gz	WEWWMQYGJMEXAF-IBGZPJMESA-N	1	0	355.486	1.892	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COCc2cc(C)no2)C[C@H]1C(F)(F)F	ZINC001112121366	810074205	/nfs/dbraw/zinc/07/42/05/810074205.db2.gz	JIXNUXDATPIBBV-ZIAGYGMSSA-N	1	0	359.348	1.502	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1	ZINC000645121169	810097246	/nfs/dbraw/zinc/09/72/46/810097246.db2.gz	UOCXHNODKKYOPM-MJGOQNOKSA-N	1	0	359.470	1.906	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)Cc4cc[nH]n4)[C@@H]3C2)cc1	ZINC001075640209	810104389	/nfs/dbraw/zinc/10/43/89/810104389.db2.gz	ZJRFPJGXYQOLBZ-QFBILLFUSA-N	1	0	365.437	1.587	20	30		FDEDRO
N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1	ZINC000473477727	810134271	/nfs/dbraw/zinc/13/42/71/810134271.db2.gz	CKTCGTIUDPYRHV-IPMKNSEASA-N	1	0	366.465	1.792	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C	ZINC000249167115	810229250	/nfs/dbraw/zinc/22/92/50/810229250.db2.gz	KJVSRVNYJLQDCQ-LZWOXQAQSA-N	1	0	358.442	1.715	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1ccc(C#N)cc1	ZINC000419289606	810329053	/nfs/dbraw/zinc/32/90/53/810329053.db2.gz	QRRKONAAZLEVDP-RDTXWAMCSA-N	1	0	354.454	1.726	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(CC(=O)N[C@](C)(C#N)C3CC3)CC2)CC1	ZINC000333126510	810469324	/nfs/dbraw/zinc/46/93/24/810469324.db2.gz	CZTVFOOOZUZAIG-HXUWFJFHSA-N	1	0	361.534	1.285	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)C1	ZINC001028546867	810633874	/nfs/dbraw/zinc/63/38/74/810633874.db2.gz	HNBQDLGFJNPPRH-FHLIZLRMSA-N	1	0	354.454	1.411	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CC[C@](C(=O)NC)(C(F)(F)F)C2)CC1	ZINC000645232929	810644378	/nfs/dbraw/zinc/64/43/78/810644378.db2.gz	ZAYYXDGKMQAQMW-HNNXBMFYSA-N	1	0	362.396	1.347	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@]34C[C@H]3COC4)C2)cc1	ZINC001028554212	810647298	/nfs/dbraw/zinc/64/72/98/810647298.db2.gz	YWQHOXMDXYTWHC-UWVAXJGDSA-N	1	0	355.438	1.564	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H](Nc3ncc(C#N)cc3Cl)C2)O1	ZINC001059109088	815389692	/nfs/dbraw/zinc/38/96/92/815389692.db2.gz	ZHXWPAWVQVGVPK-OSAQELSMSA-N	1	0	363.849	1.339	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[C@H]2C2CC2)CC1	ZINC000937279080	810733406	/nfs/dbraw/zinc/73/34/06/810733406.db2.gz	GLGZGEPSLGNGIY-CADBVGFASA-N	1	0	355.482	1.189	20	30		FDEDRO
N#Cc1ccc(N2C[C@]3(COCC[N@@H+]([C@@H]4C[C@H]5C[C@H]5C4)C3)OCC2=O)cc1	ZINC001167929670	810823860	/nfs/dbraw/zinc/82/38/60/810823860.db2.gz	ZCFOBKZMTAKRTM-SHJAMOMRSA-N	1	0	367.449	1.791	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2COCCN2C)C1	ZINC001087464124	811197048	/nfs/dbraw/zinc/19/70/48/811197048.db2.gz	VHBCSSJBMJRJAO-GUDVDZBRSA-N	1	0	361.461	1.616	20	30		FDEDRO
C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1	ZINC001083392597	811207754	/nfs/dbraw/zinc/20/77/54/811207754.db2.gz	QDZZXKSXXPQZPU-SVIJTADQSA-N	1	0	364.449	1.911	20	30		FDEDRO
C=CCCn1cc(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)nn1	ZINC000424766079	815433376	/nfs/dbraw/zinc/43/33/76/815433376.db2.gz	TVQUGCDEKFWIIV-QGZVFWFLSA-N	1	0	355.442	1.351	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1	ZINC000982817125	811273556	/nfs/dbraw/zinc/27/35/56/811273556.db2.gz	OOURHYPNVCKFDJ-JQHSSLGASA-N	1	0	363.502	1.274	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N1CCN(c2cccs2)CC1	ZINC000261669221	811295563	/nfs/dbraw/zinc/29/55/63/811295563.db2.gz	BWMSDBYFVDZVGW-OAHLLOKOSA-N	1	0	373.530	1.608	20	30		FDEDRO
C[C@@H](NC(=[NH2+])N1CCN(c2ncccn2)CC1)c1ccc([S@](C)=O)cc1	ZINC000261789516	811320239	/nfs/dbraw/zinc/32/02/39/811320239.db2.gz	QSZJSZKAYHBVJT-PTFIGZPYSA-N	1	0	372.498	1.412	20	30		FDEDRO
C[NH+]=C(NC[C@]1(O)CCc2ccccc21)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000261860919	811333764	/nfs/dbraw/zinc/33/37/64/811333764.db2.gz	YLRYJELLFNPXHT-LAUBAEHRSA-N	1	0	372.513	1.050	20	30		FDEDRO
NC(=O)c1cnn2c1C[C@@H](CNC(=[NH2+])Nc1cccc3c1CCCC3)CC2	ZINC000261930661	811346792	/nfs/dbraw/zinc/34/67/92/811346792.db2.gz	LBOXXBVZWJCKNQ-ZDUSSCGKSA-N	1	0	366.469	1.850	20	30		FDEDRO
Cc1nnc(CNC(=[NH+]C2CC2)N2CCN(c3cccc(C)c3)CC2)n1C	ZINC000261951604	811352022	/nfs/dbraw/zinc/35/20/22/811352022.db2.gz	HOOWOAZWOSASGQ-UHFFFAOYSA-N	1	0	367.501	1.862	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N1CC[C@H](C)[C@@H](n2ccnc2)C1	ZINC000261959675	811353824	/nfs/dbraw/zinc/35/38/24/811353824.db2.gz	JTDUNXHQHJCGCF-XIRDDKMYSA-N	1	0	370.505	1.504	20	30		FDEDRO
C[NH+]=C(NCc1cn2c(n1)CCCC2)N1CC[C@H](Oc2ccccn2)C1	ZINC000261987257	811361937	/nfs/dbraw/zinc/36/19/37/811361937.db2.gz	QLGWHIMXUIGPMX-INIZCTEOSA-N	1	0	354.458	1.843	20	30		FDEDRO
Cc1nnc(CNC(NC2CCN(c3ccccc3)CC2)=[NH+]C2CC2)n1C	ZINC000262010637	811366438	/nfs/dbraw/zinc/36/64/38/811366438.db2.gz	WNULNIAGZFMLNG-UHFFFAOYSA-N	1	0	367.501	1.990	20	30		FDEDRO
C[C@@H]1CCN(C(NCC(=O)N(C)C)=[NH+]C2CCCC2)C[C@H]1n1ccnc1	ZINC000262254692	811424271	/nfs/dbraw/zinc/42/42/71/811424271.db2.gz	CKZDLFYQYCMPAT-NVXWUHKLSA-N	1	0	360.506	1.742	20	30		FDEDRO
CN(C)C(=O)C[NH+]=C(NCc1ccccn1)N[C@@H]1CCOc2ccccc21	ZINC000262298631	811435844	/nfs/dbraw/zinc/43/58/44/811435844.db2.gz	NAMKGPXTROKDPB-QGZVFWFLSA-N	1	0	367.453	1.729	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1	ZINC001028605616	811512307	/nfs/dbraw/zinc/51/23/07/811512307.db2.gz	ZAADTGHZPBULDT-JOQOYGCGSA-N	1	0	361.417	1.439	20	30		FDEDRO
C=CC[NH+]1CCC(NCc2cn(C)nc2I)CC1	ZINC000894229790	811578925	/nfs/dbraw/zinc/57/89/25/811578925.db2.gz	XFMDCHFTQDWAKM-UHFFFAOYSA-N	1	0	360.243	1.765	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)n1	ZINC000280078846	811714863	/nfs/dbraw/zinc/71/48/63/811714863.db2.gz	RDAWAFXQKBSJTA-KRWDZBQOSA-N	1	0	361.490	1.549	20	30		FDEDRO
N#Cc1ccccc1-c1ccc(CNC(=O)C(=O)NCCCC[NH3+])cc1	ZINC000419654896	812061180	/nfs/dbraw/zinc/06/11/80/812061180.db2.gz	XHCGHPGHHDGLPY-UHFFFAOYSA-N	1	0	350.422	1.697	20	30		FDEDRO
C=C[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1	ZINC000419872829	812267861	/nfs/dbraw/zinc/26/78/61/812267861.db2.gz	CWLWHGUPLRIONI-QRQLOZEOSA-N	1	0	371.481	1.824	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N(Cc1ccc(C#N)cc1)C1CC1)[C@H]1CCC[NH2+]C1	ZINC000419899431	812280781	/nfs/dbraw/zinc/28/07/81/812280781.db2.gz	RUZMGGTXKWZGEE-YOEHRIQHSA-N	1	0	354.454	1.554	20	30		FDEDRO
C=CCCCCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1	ZINC000419900555	812281336	/nfs/dbraw/zinc/28/13/36/812281336.db2.gz	SPDDPPAPQSJNQO-QZTJIDSGSA-N	1	0	359.470	1.729	20	30		FDEDRO
C=CCCCCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1	ZINC000419900557	812281509	/nfs/dbraw/zinc/28/15/09/812281509.db2.gz	SPDDPPAPQSJNQO-ROUUACIJSA-N	1	0	359.470	1.729	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+]	ZINC000420011527	813393993	/nfs/dbraw/zinc/39/39/93/813393993.db2.gz	HALJXYATUFYBSN-ROUUACIJSA-N	1	0	356.470	1.931	20	30		FDEDRO
C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	ZINC000420176448	813513746	/nfs/dbraw/zinc/51/37/46/813513746.db2.gz	ZTIOQDPDBTYUKQ-DKIMLUQUSA-N	1	0	354.454	1.541	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000501691038	813600832	/nfs/dbraw/zinc/60/08/32/813600832.db2.gz	SNODFLBIEORMGI-PKOBYXMFSA-N	1	0	373.497	1.674	20	30		FDEDRO
C=CCN1CC[C@H](N(Cc2nccn2CC)[C@H]2CC23CC[NH2+]CC3)C1=O	ZINC000420314313	813603851	/nfs/dbraw/zinc/60/38/51/813603851.db2.gz	QPLMGVGIBSCPLM-IRXDYDNUSA-N	1	0	357.502	1.634	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCn2cncc2C1	ZINC000366650284	813769542	/nfs/dbraw/zinc/76/95/42/813769542.db2.gz	FHOIBFXGGFFUJJ-SFHVURJKSA-N	1	0	351.454	1.908	20	30		FDEDRO
CN(C)C(=O)Cn1cc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1	ZINC000502065077	813817150	/nfs/dbraw/zinc/81/71/50/813817150.db2.gz	ZVRCFIVVYKAWEI-UHFFFAOYSA-N	1	0	366.469	1.919	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nc1	ZINC000983050648	814236580	/nfs/dbraw/zinc/23/65/80/814236580.db2.gz	IPZBDVTXCLUOFN-ZIFCJYIRSA-N	1	0	368.481	1.372	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000983073352	814316857	/nfs/dbraw/zinc/31/68/57/814316857.db2.gz	MNIXMPNSVJDGMN-HHXXYDBFSA-N	1	0	353.466	1.586	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C)c(C)o4)[C@@H]3C2)C1=O	ZINC001075689526	814454842	/nfs/dbraw/zinc/45/48/42/814454842.db2.gz	PMTGMXPYYHCLGE-YESZJQIVSA-N	1	0	357.454	1.830	20	30		FDEDRO
CC[C@@H]1C[N@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C[C@H]1O	ZINC000271985081	814534999	/nfs/dbraw/zinc/53/49/99/814534999.db2.gz	FEQXVWBFSQEXRH-AYOQOUSVSA-N	1	0	374.460	1.237	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](OCC)C1	ZINC000983132939	814800846	/nfs/dbraw/zinc/80/08/46/814800846.db2.gz	OZMDXEKMBDIEJA-IXDOHACOSA-N	1	0	365.518	1.663	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC(C)(C)CC#N)[C@@H](C)C1	ZINC000422320332	814808206	/nfs/dbraw/zinc/80/82/06/814808206.db2.gz	APRQOPDLCNZJTJ-JKSUJKDBSA-N	1	0	366.506	1.296	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CS1	ZINC000422510499	814825577	/nfs/dbraw/zinc/82/55/77/814825577.db2.gz	RJWOQJQUMGWWBW-RHSMWYFYSA-N	1	0	374.510	1.459	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CS1	ZINC000422510498	814825610	/nfs/dbraw/zinc/82/56/10/814825610.db2.gz	RJWOQJQUMGWWBW-PBHICJAKSA-N	1	0	374.510	1.459	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000983316852	815716582	/nfs/dbraw/zinc/71/65/82/815716582.db2.gz	LUBGWMLVXHCWAR-QGTPRVQTSA-N	1	0	368.437	1.504	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](O)C4CCCCC4)C[C@H]32)c[nH]1	ZINC001075710176	815771451	/nfs/dbraw/zinc/77/14/51/815771451.db2.gz	YQGFNFRIFHERNL-KFKAGJAMSA-N	1	0	356.470	1.974	20	30		FDEDRO
C=CCOc1ccc(CC(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)cc1	ZINC000425315253	815987799	/nfs/dbraw/zinc/98/77/99/815987799.db2.gz	WMXLPEHUSUQBKA-IBGZPJMESA-N	1	0	371.481	1.605	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCc1ccc(CC#N)cc1	ZINC000514858849	816015378	/nfs/dbraw/zinc/01/53/78/816015378.db2.gz	ZIPDQIBLBABPLZ-JKSUJKDBSA-N	1	0	356.470	1.605	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000505678419	816024084	/nfs/dbraw/zinc/02/40/84/816024084.db2.gz	PYPHNSQNOAHQGI-KRWDZBQOSA-N	1	0	371.481	1.924	20	30		FDEDRO
CC#CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@]2(C)CNC(=O)C2)C1	ZINC001087466183	816139914	/nfs/dbraw/zinc/13/99/14/816139914.db2.gz	FFRPPQYZKJEUBS-DBXWQHBBSA-N	1	0	371.456	1.649	20	30		FDEDRO
C=CCn1cc(CNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)nn1	ZINC000425410023	816187483	/nfs/dbraw/zinc/18/74/83/816187483.db2.gz	BJUCWORQBHFRIH-KRWDZBQOSA-N	1	0	354.458	1.928	20	30		FDEDRO
N#C[C@H]1CC[C@@H](NC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1	ZINC000425437423	816287018	/nfs/dbraw/zinc/28/70/18/816287018.db2.gz	BEEFLLBQPNFQQQ-DLBZAZTESA-N	1	0	371.489	1.370	20	30		FDEDRO
C=CCn1cc(CNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)nn1	ZINC000425440706	816289607	/nfs/dbraw/zinc/28/96/07/816289607.db2.gz	GYOTXEKBXMHEIM-GOSISDBHSA-N	1	0	368.485	1.828	20	30		FDEDRO
COC(=O)C1CC[NH+](CCCNC(=O)C2(c3ccc(C#N)cc3)CC2)CC1	ZINC000436105255	816332056	/nfs/dbraw/zinc/33/20/56/816332056.db2.gz	XBVWZBGVNNTRPN-UHFFFAOYSA-N	1	0	369.465	1.981	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1	ZINC000425491771	816366095	/nfs/dbraw/zinc/36/60/95/816366095.db2.gz	QYYFWBZXNHAFCU-UHOSZYNNSA-N	1	0	359.470	1.644	20	30		FDEDRO
C=CCn1cc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)nn1	ZINC000425541680	816488602	/nfs/dbraw/zinc/48/86/02/816488602.db2.gz	PWLNUMNJNCVHRY-MAUKXSAKSA-N	1	0	354.458	1.926	20	30		FDEDRO
CC(C)CC(=O)N1CCC([NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000516762169	816993735	/nfs/dbraw/zinc/99/37/35/816993735.db2.gz	XFIDOTFLCKOEOH-SFHVURJKSA-N	1	0	359.470	1.925	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]C2CCN(c3cccnn3)CC2)c1	ZINC000516762683	816994144	/nfs/dbraw/zinc/99/41/44/816994144.db2.gz	JJRBYFLTIVWNSJ-UHFFFAOYSA-N	1	0	371.466	1.381	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1	ZINC000425852211	817227386	/nfs/dbraw/zinc/22/73/86/817227386.db2.gz	IDTQHDZNWXITQD-HKUYNNGSSA-N	1	0	364.534	1.778	20	30		FDEDRO
N#C[C@H]1CC[C@@H](NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1	ZINC000425851666	817228442	/nfs/dbraw/zinc/22/84/42/817228442.db2.gz	UECNHZKYBVEZGC-OKYOBFRVSA-N	1	0	356.470	1.861	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000425854150	817229491	/nfs/dbraw/zinc/22/94/91/817229491.db2.gz	JUMVDKDFJLENJW-BJLQDIEVSA-N	1	0	359.470	1.514	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1	ZINC000425885905	817315824	/nfs/dbraw/zinc/31/58/24/817315824.db2.gz	IGHTYJOPUYAYHM-RBUKOAKNSA-N	1	0	371.481	1.428	20	30		FDEDRO
C[NH+]=C(NCc1ccccc1CN1CCCC1=O)N1CC[C@]2(CCOC2)C1	ZINC000261954260	817621383	/nfs/dbraw/zinc/62/13/83/817621383.db2.gz	IGWORXGYTFPDQL-NRFANRHFSA-N	1	0	370.497	1.997	20	30		FDEDRO
C[NH+](C)CCn1ncc(C(=O)N2CC(O)(CC#N)C2)c1-c1ccccc1	ZINC000506362820	817716604	/nfs/dbraw/zinc/71/66/04/817716604.db2.gz	JNWOTMPDEZINMT-UHFFFAOYSA-N	1	0	353.426	1.212	20	30		FDEDRO
Cc1nnc(CNC(=[NH+]C2CC2)N2CCN(c3ccccc3F)CC2)n1C	ZINC000261959631	817797429	/nfs/dbraw/zinc/79/74/29/817797429.db2.gz	JRHDGGNIMFWCGD-UHFFFAOYSA-N	1	0	371.464	1.693	20	30		FDEDRO
C[N@@H+]1CC[C@@H](C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1	ZINC000518358516	817852329	/nfs/dbraw/zinc/85/23/29/817852329.db2.gz	SJSPCVNCTQPXPZ-CYBMUJFWSA-N	1	0	370.432	1.466	20	30		FDEDRO
C[NH+]=C(NCC1(N(C)C)Cc2ccccc2C1)N1CC[C@@]2(CCOC2)C1	ZINC000261980642	817904159	/nfs/dbraw/zinc/90/41/59/817904159.db2.gz	OUGVFCFEFADFGO-HXUWFJFHSA-N	1	0	356.514	1.773	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CC[N@@H+](C2CC2)C1	ZINC000296317757	817927011	/nfs/dbraw/zinc/92/70/11/817927011.db2.gz	SFFIECIAYYJAJZ-CQSZACIVSA-N	1	0	356.426	1.470	20	30		FDEDRO
C[NH+](C)CCOc1cccc(NC(=O)C(=O)N(CCC#N)CC2CC2)c1	ZINC000439331169	817938967	/nfs/dbraw/zinc/93/89/67/817938967.db2.gz	NWPARWHYSBAFHS-UHFFFAOYSA-N	1	0	358.442	1.718	20	30		FDEDRO
CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]Cc2cccc(C#N)c2)c1	ZINC000518799247	818013191	/nfs/dbraw/zinc/01/31/91/818013191.db2.gz	LVXGCHQUEOZEIO-CYBMUJFWSA-N	1	0	372.450	1.583	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000439591500	818015997	/nfs/dbraw/zinc/01/59/97/818015997.db2.gz	JIYMQOBYXPBUFJ-OAHLLOKOSA-N	1	0	356.426	1.591	20	30		FDEDRO
C#CCN1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1	ZINC001087471391	818079913	/nfs/dbraw/zinc/07/99/13/818079913.db2.gz	AYGROTPQCXSFDB-JBACZVJFSA-N	1	0	369.509	1.944	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CCNC2=O)C1	ZINC001087474974	818294599	/nfs/dbraw/zinc/29/45/99/818294599.db2.gz	JPYCBBJILHDIOW-FHWLQOOXSA-N	1	0	371.481	1.682	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3OCC[C@H]3C(C)C)C2)C1=O	ZINC000983688902	818555802	/nfs/dbraw/zinc/55/58/02/818555802.db2.gz	CTBKPEIDWDTHAE-ATIWLJMLSA-N	1	0	363.502	1.319	20	30		FDEDRO
C#CCOc1ccc(NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1	ZINC000108521765	818560839	/nfs/dbraw/zinc/56/08/39/818560839.db2.gz	BFKZLVVATUATMO-HNNXBMFYSA-N	1	0	358.442	1.408	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1	ZINC000983698967	818607747	/nfs/dbraw/zinc/60/77/47/818607747.db2.gz	DYFGIZIFUQZLEI-ZBFHGGJFSA-N	1	0	369.469	1.339	20	30		FDEDRO
N#Cc1ccc([C@H]([NH2+]CCCN2C(=O)c3ccccc3C2=O)C(N)=O)cc1	ZINC000507268465	818702666	/nfs/dbraw/zinc/70/26/66/818702666.db2.gz	REBLTUFPBPKWEJ-KRWDZBQOSA-N	1	0	362.389	1.361	20	30		FDEDRO
C[N@@H+]1CCN(CCNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1(C)C	ZINC000440682537	819076872	/nfs/dbraw/zinc/07/68/72/819076872.db2.gz	WIMCXRXIAYVAPC-UHFFFAOYSA-N	1	0	368.441	2.453	20	30		FDEDRO
COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000519903281	819119897	/nfs/dbraw/zinc/11/98/97/819119897.db2.gz	QRORMGKEKGSIIK-YJBOKZPZSA-N	1	0	372.469	1.038	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)CC4(O)CCC4)[C@@H]3C2)cc1C#N	ZINC001075776475	819378949	/nfs/dbraw/zinc/37/89/49/819378949.db2.gz	QCMXOXLQVMKVJA-FUHWJXTLSA-N	1	0	369.465	1.905	20	30		FDEDRO
Cn1ccnc(N2CCC[C@H](NC(=O)C3CC[NH+](C4CC4)CC3)C2)c1=O	ZINC000328764003	819546454	/nfs/dbraw/zinc/54/64/54/819546454.db2.gz	ONIVDTCJGMMSID-HNNXBMFYSA-N	1	0	359.474	1.580	20	30		FDEDRO
C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCOC[C@@H]2c2ncnn2C)C1	ZINC000328875182	819575105	/nfs/dbraw/zinc/57/51/05/819575105.db2.gz	JQYKZBCKTVRHTF-HUUCEWRRSA-N	1	0	364.494	1.613	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN(C(=O)NC2CCCCC2)CC1	ZINC000328972538	819603266	/nfs/dbraw/zinc/60/32/66/819603266.db2.gz	BWPBSKSROMRXGH-MRXNPFEDSA-N	1	0	366.506	1.346	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CC[N@H+](C)C2)cn1	ZINC000983810019	819624119	/nfs/dbraw/zinc/62/41/19/819624119.db2.gz	XNTYUOKLXCQWRC-AYBZRNKSSA-N	1	0	368.481	1.372	20	30		FDEDRO
CO[C@H]1C[C@@H](CN(C)C(=O)C2(NC(=O)NC(C)C)CCCCC2)[N@H+](C)C1	ZINC000330595179	819627160	/nfs/dbraw/zinc/62/71/60/819627160.db2.gz	UEOPXJZBQBQDHJ-HOTGVXAUSA-N	1	0	368.522	1.779	20	30		FDEDRO
CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1	ZINC000330992762	819660630	/nfs/dbraw/zinc/66/06/30/819660630.db2.gz	NGOGCPPUAHSBJI-UONOGXRCSA-N	1	0	361.446	1.479	20	30		FDEDRO
CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000331168904	819669048	/nfs/dbraw/zinc/66/90/48/819669048.db2.gz	TUZXMKDRGATGTN-CVEARBPZSA-N	1	0	368.522	1.494	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C	ZINC000937457401	819837381	/nfs/dbraw/zinc/83/73/81/819837381.db2.gz	YBHHOTCYILKNEH-MHORFTMASA-N	1	0	363.502	1.559	20	30		FDEDRO
CC[NH+]=C(NC[C@@](C)(O)c1ccco1)N1CCN(c2ccccn2)CC1	ZINC000080658996	819944425	/nfs/dbraw/zinc/94/44/25/819944425.db2.gz	NKUGCYCIIPESSO-LJQANCHMSA-N	1	0	357.458	1.670	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1	ZINC000983926011	820131821	/nfs/dbraw/zinc/13/18/21/820131821.db2.gz	MFIRREIUJMNLNB-ZBFHGGJFSA-N	1	0	369.469	1.339	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc4ncccc4c3)C[C@@H]2O)[nH]1	ZINC001083414134	820149919	/nfs/dbraw/zinc/14/99/19/820149919.db2.gz	NYIHYPDLYVHLLN-MOPGFXCFSA-N	1	0	361.405	1.410	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H](O)COC)C2)CC1	ZINC001112161263	820605270	/nfs/dbraw/zinc/60/52/70/820605270.db2.gz	NFMHVPGCVNGZOL-BFHYXJOUSA-N	1	0	364.408	1.719	20	30		FDEDRO
CC#CC[C@H](CO)[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2	ZINC000895131859	820750748	/nfs/dbraw/zinc/75/07/48/820750748.db2.gz	LRQHDCKUJLOGEQ-OAGGEKHMSA-N	1	0	352.475	1.813	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1CCc1cnn(CC)c1	ZINC001087535655	820936852	/nfs/dbraw/zinc/93/68/52/820936852.db2.gz	VEHGMHLCEKSUTD-FUHWJXTLSA-N	1	0	354.458	1.928	20	30		FDEDRO
C[NH+]=C(NCc1nc(-c2ccccc2)c[nH]1)NC1CCN(C(C)=O)CC1	ZINC000262154657	820969526	/nfs/dbraw/zinc/96/95/26/820969526.db2.gz	AHWGVMWARFXUKH-UHFFFAOYSA-N	1	0	354.458	1.753	20	30		FDEDRO
O=C1[C@H]([NH2+]Cc2ccc(I)s2)CCCN1O	ZINC000895158462	821194325	/nfs/dbraw/zinc/19/43/25/821194325.db2.gz	JQUOTUJDWDKBAO-MRVPVSSYSA-N	1	0	352.197	1.823	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H](C)n2cncn2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087546871	821276715	/nfs/dbraw/zinc/27/67/15/821276715.db2.gz	JLPKOAKVLBMAFL-NZSAHSFTSA-N	1	0	351.454	1.860	20	30		FDEDRO
COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1	ZINC000521585366	821294055	/nfs/dbraw/zinc/29/40/55/821294055.db2.gz	PFNHSDBYFVSFHE-QKLQHJQFSA-N	1	0	361.486	1.477	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1Cc1noc2c1COCC2	ZINC001087548851	821302623	/nfs/dbraw/zinc/30/26/23/821302623.db2.gz	RSOAEEGGJUYWTK-DOTOQJQBSA-N	1	0	369.425	1.730	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccc(F)cn3)[C@H]2CC)C1=O	ZINC001087549687	821317369	/nfs/dbraw/zinc/31/73/69/821317369.db2.gz	MOLCQFGBYSORGW-UAGQMJEPSA-N	1	0	360.433	1.590	20	30		FDEDRO
C[C@H](C#N)CNC(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000521657912	821327494	/nfs/dbraw/zinc/32/74/94/821327494.db2.gz	RIZKXIOFLZDICX-IEBWSBKVSA-N	1	0	355.486	1.748	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087576073	821579463	/nfs/dbraw/zinc/57/94/63/821579463.db2.gz	MHQGEWHLDZZOSY-ZWQIFLOQSA-N	1	0	368.481	1.942	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC(=O)N2)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087615268	821753154	/nfs/dbraw/zinc/75/31/54/821753154.db2.gz	MAJHSORUINZCPK-ARFHVFGLSA-N	1	0	360.483	1.758	20	30		FDEDRO
COC(=O)C[C@@](C)([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccccn1	ZINC000429675246	821836608	/nfs/dbraw/zinc/83/66/08/821836608.db2.gz	WRHOGFKGBLPASG-OXJNMPFZSA-N	1	0	369.421	1.761	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)[C@@H]2CC)cc1	ZINC001087682476	822015681	/nfs/dbraw/zinc/01/56/81/822015681.db2.gz	ZVHTXWQLHQLNFX-HSALFYBXSA-N	1	0	366.465	1.508	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCN(C)C2=O)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087692215	822066207	/nfs/dbraw/zinc/06/62/07/822066207.db2.gz	HOVVNEKVPYGBKR-OKZBNKHCSA-N	1	0	354.454	1.506	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CCn3nc(C)nc3C)[C@@H]2CC)c1	ZINC001087719012	822186690	/nfs/dbraw/zinc/18/66/90/822186690.db2.gz	VOERCDJYWNWPJB-RBUKOAKNSA-N	1	0	366.469	1.554	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+]1Cc1cc(C#N)ccc1OC	ZINC001087729258	822260175	/nfs/dbraw/zinc/26/01/75/822260175.db2.gz	RNBWNTCXKMQPRO-LTIDMASMSA-N	1	0	370.453	1.157	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cnn(C)n2)CCN1CC#Cc1ccc(F)cc1	ZINC001087761489	822386022	/nfs/dbraw/zinc/38/60/22/822386022.db2.gz	VXEJWNNOCDSPOA-FUHWJXTLSA-N	1	0	355.417	1.589	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc4c([nH]3)CCC4)[C@H]2CC)C1=O	ZINC001087792719	822447395	/nfs/dbraw/zinc/44/73/95/822447395.db2.gz	UPDUGDKXWZNHFY-UHOSZYNNSA-N	1	0	370.497	1.873	20	30		FDEDRO
COc1ccccc1[C@H](CNC(=O)c1cnn(C)c1C#N)[NH+]1CCCC1	ZINC000474189057	822620415	/nfs/dbraw/zinc/62/04/15/822620415.db2.gz	KVVDFCDXFKDOJU-KRWDZBQOSA-N	1	0	353.426	1.867	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC(=O)N2CCC2)C1	ZINC001088315675	828463575	/nfs/dbraw/zinc/46/35/75/828463575.db2.gz	FBENOBYMJYTYDN-KSZLIROESA-N	1	0	363.502	1.561	20	30		FDEDRO
N#Cc1csc(CNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)n1	ZINC000895639962	822684669	/nfs/dbraw/zinc/68/46/69/822684669.db2.gz	INTAKZPPWGLSSC-UHFFFAOYSA-N	1	0	363.487	1.705	20	30		FDEDRO
Cn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)s4)CC[C@@H]3C2)cn1	ZINC001087879877	822697633	/nfs/dbraw/zinc/69/76/33/822697633.db2.gz	JCBYPHGOGRIBIR-HIFRSBDPSA-N	1	0	355.467	1.947	20	30		FDEDRO
N#Cc1cnc(Cl)c(C[NH2+][C@H]2CCCN(CCN3CCOCC3)C2)c1	ZINC000895686617	822698724	/nfs/dbraw/zinc/69/87/24/822698724.db2.gz	TWIXBWRTYYZNMA-KRWDZBQOSA-N	1	0	363.893	1.493	20	30		FDEDRO
COC(=O)[C@@]1(O)CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000895708839	822719185	/nfs/dbraw/zinc/71/91/85/822719185.db2.gz	VIQSEZRMLUGIEK-LJQANCHMSA-N	1	0	354.410	1.574	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cccc(C)n4)C[C@@H]3C2)C1=O	ZINC001087888306	822725710	/nfs/dbraw/zinc/72/57/10/822725710.db2.gz	ZGNNGACTOBYTPV-AOIWGVFYSA-N	1	0	368.481	1.571	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cn[nH]c3)C[C@@H]2C1	ZINC001087895934	822750780	/nfs/dbraw/zinc/75/07/80/822750780.db2.gz	DKOJAIJFJNCNFM-QAPCUYQASA-N	1	0	365.437	1.884	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)/C=C(\C)C4CC4)C[C@@H]3C2)C1=O	ZINC001087898018	822755465	/nfs/dbraw/zinc/75/54/65/822755465.db2.gz	BQEPOOYTZLYQHE-DXNRUZSMSA-N	1	0	357.498	1.910	20	30		FDEDRO
C[N@@H+](Cc1ccc(F)c(C#N)c1)C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001029841767	828497725	/nfs/dbraw/zinc/49/77/25/828497725.db2.gz	OWOULWUVWGSDTQ-IMJJTQAJSA-N	1	0	358.417	1.099	20	30		FDEDRO
COc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]3C2)n1	ZINC001087925218	823936213	/nfs/dbraw/zinc/93/62/13/823936213.db2.gz	BMIOCQMLVLYHGD-CVEARBPZSA-N	1	0	365.437	1.884	20	30		FDEDRO
Cc1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]3C2)cn1	ZINC001087925535	823936931	/nfs/dbraw/zinc/93/69/31/823936931.db2.gz	RVVBNMRPZNFLOK-SJORKVTESA-N	1	0	350.426	1.579	20	30		FDEDRO
COc1nccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]3C2)n1	ZINC001087925305	823937078	/nfs/dbraw/zinc/93/70/78/823937078.db2.gz	GIFXMPCSMHOGEB-CABCVRRESA-N	1	0	366.425	1.279	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cc4cccnc4)C[C@@H]3C2)C1=O	ZINC001087935966	823984037	/nfs/dbraw/zinc/98/40/37/823984037.db2.gz	YMBLYZSZWQJEDZ-CEXWTWQISA-N	1	0	368.481	1.191	20	30		FDEDRO
O=C(C[C@H]1COC(=O)C1)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001087934134	823991076	/nfs/dbraw/zinc/99/10/76/823991076.db2.gz	RYJDRUYRVNHRAG-AQNXPRMDSA-N	1	0	366.461	1.772	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1)n1cncn1	ZINC001087939986	824033740	/nfs/dbraw/zinc/03/37/40/824033740.db2.gz	DZFWSQBHGJYWFL-RLLQIKCJSA-N	1	0	363.465	1.671	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)CC[C@@H]2C1)n1cncn1	ZINC001087940178	824035004	/nfs/dbraw/zinc/03/50/04/824035004.db2.gz	YYNLNASFOIXREW-IPELMVKDSA-N	1	0	364.453	1.691	20	30		FDEDRO
COc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]3C2)ccn1	ZINC001087940673	824038134	/nfs/dbraw/zinc/03/81/34/824038134.db2.gz	SBGCKGMHSGUUHJ-WBVHZDCISA-N	1	0	365.437	1.884	20	30		FDEDRO
CC(=O)N1CC(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4C#N)CC[C@@H]3C2)C1	ZINC001087948339	824081762	/nfs/dbraw/zinc/08/17/62/824081762.db2.gz	WCLQSVIJSITOQQ-MOPGFXCFSA-N	1	0	366.465	1.317	20	30		FDEDRO
CN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1)C1CCCCC1	ZINC001087961656	824182086	/nfs/dbraw/zinc/18/20/86/824182086.db2.gz	DODNHUNQDQVQCS-MOPGFXCFSA-N	1	0	371.525	1.971	20	30		FDEDRO
Cc1csc(=O)n1CC[N@@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1	ZINC001087961894	824182718	/nfs/dbraw/zinc/18/27/18/824182718.db2.gz	OLGQCRBASUDMDY-SJORKVTESA-N	1	0	359.495	1.412	20	30		FDEDRO
C[N@@H+]1CC[C@H](C(=O)NCCNC(=O)C2N=CC=CC2=O)[C@@H]1c1ccccc1	ZINC000896302189	824287991	/nfs/dbraw/zinc/28/79/91/824287991.db2.gz	KPEAFBREBLKBFA-YQPJHWBJSA-N	1	0	368.437	1.322	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(-c4ccn(C)n4)on3)C[C@@H]2C1	ZINC001087979047	824341282	/nfs/dbraw/zinc/34/12/82/824341282.db2.gz	GZNCFDGQAJCILT-CABCVRRESA-N	1	0	353.426	1.492	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)[C@H]2CC)cc1	ZINC000984691851	824494760	/nfs/dbraw/zinc/49/47/60/824494760.db2.gz	NGXVTLMQLUXERS-OTWHNJEPSA-N	1	0	353.466	1.871	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H]1CC	ZINC000984698228	824511487	/nfs/dbraw/zinc/51/14/87/824511487.db2.gz	ZTBUXEFNUXNLFO-XUVXKRRUSA-N	1	0	367.493	1.800	20	30		FDEDRO
C=CCOCC(=O)N1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1	ZINC000525600242	828657761	/nfs/dbraw/zinc/65/77/61/828657761.db2.gz	NNMKAOLEVZWMSW-UHFFFAOYSA-N	1	0	373.497	1.676	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)CC[N@@H+]1C	ZINC000329054428	824549567	/nfs/dbraw/zinc/54/95/67/824549567.db2.gz	LSEIIRHWWQHINW-VMUDFCTBSA-N	1	0	362.478	1.068	20	30		FDEDRO
C[C@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)[C@H]1C[N@H+](C)CCN1C	ZINC000896542548	824553582	/nfs/dbraw/zinc/55/35/82/824553582.db2.gz	RUEXJUXSKUJCKJ-ZSZQSSIHSA-N	1	0	373.476	1.274	20	30		FDEDRO
C[C@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)[C@@H]1C[N@H+](C)CCN1C	ZINC000896552011	824568899	/nfs/dbraw/zinc/56/88/99/824568899.db2.gz	IPLRZZWDKHFWQE-YJBOKZPZSA-N	1	0	371.485	1.418	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1	ZINC000429716730	828662774	/nfs/dbraw/zinc/66/27/74/828662774.db2.gz	KPDMNRQRVLIIPN-PIKOESSRSA-N	1	0	374.529	1.616	20	30		FDEDRO
CNC(=O)[C@H]1CN([C@H](C)C(=O)Nc2cc(C)no2)C[C@@H]1c1cnn(C)c1	ZINC000329136863	824618915	/nfs/dbraw/zinc/61/89/15/824618915.db2.gz	RFDDMUGMVXLEDZ-BNOWGMLFSA-N	1	0	360.418	1.345	20	30		FDEDRO
Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@@H]4OCCN(C)[C@@H]4C3)C2)nn1	ZINC000329141439	824625299	/nfs/dbraw/zinc/62/52/99/824625299.db2.gz	UHSZPJWIDLCOTB-BBWFWOEESA-N	1	0	374.489	1.073	20	30		FDEDRO
Cc1ccn2cc(C(=O)NC3CC[NH+]([C@H]4CCN(C)C4=O)CC3)nc2c1	ZINC000329183577	824652910	/nfs/dbraw/zinc/65/29/10/824652910.db2.gz	OXTDNBNOHBVIBX-INIZCTEOSA-N	1	0	355.442	1.642	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)c3cncn3-c3ccccc3)CC2)C1=O	ZINC000329190740	824659816	/nfs/dbraw/zinc/65/98/16/824659816.db2.gz	RDYXGPHJVGBICE-KRWDZBQOSA-N	1	0	367.453	1.872	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)c3cccc(-n4ccnn4)c3)CC2)C1=O	ZINC000329197058	824661508	/nfs/dbraw/zinc/66/15/08/824661508.db2.gz	VBXWIUINHFNIPS-KRWDZBQOSA-N	1	0	368.441	1.267	20	30		FDEDRO
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C	ZINC000896582748	824670035	/nfs/dbraw/zinc/67/00/35/824670035.db2.gz	TZCOJBMCJMHPPN-BBRMVZONSA-N	1	0	355.442	1.615	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H](C)C3CC3)[C@H]2CC)CC1	ZINC000984743681	824682342	/nfs/dbraw/zinc/68/23/42/824682342.db2.gz	NJTWRZBMMBVSSN-ZYSHUDEJSA-N	1	0	359.514	1.873	20	30		FDEDRO
Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)on1	ZINC000329241195	824691772	/nfs/dbraw/zinc/69/17/72/824691772.db2.gz	NJEFRPUFNKYYRH-XHSDSOJGSA-N	1	0	365.453	1.589	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)C[N@@H+]1CC[C@H](C)C1	ZINC000984751684	824706974	/nfs/dbraw/zinc/70/69/74/824706974.db2.gz	QTQNSRRQRGSFES-JLJPHGGASA-N	1	0	357.458	1.337	20	30		FDEDRO
Cc1noc([C@@H]2CCCN2C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)n1	ZINC000329297181	824720614	/nfs/dbraw/zinc/72/06/14/824720614.db2.gz	TWLYIQIEFGYGIE-ZBFHGGJFSA-N	1	0	363.462	1.930	20	30		FDEDRO
O=C(CNC(=O)c1cc(-c2ccccc2)on1)N1CC[NH+]2CCC1CC2	ZINC000329353701	824751214	/nfs/dbraw/zinc/75/12/14/824751214.db2.gz	VBGHNEXAMDCRRQ-UHFFFAOYSA-N	1	0	354.410	1.953	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](NC(=O)N2CCO[C@@H](c3ccnc(N(C)C)n3)C2)C1	ZINC000329396576	824770308	/nfs/dbraw/zinc/77/03/08/824770308.db2.gz	XNDUIBZZPHOLSI-GOEBONIOSA-N	1	0	362.478	1.314	20	30		FDEDRO
C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCn3ncc(C(N)=O)c3C2)CC[N@@H+]1C	ZINC000329396451	824770558	/nfs/dbraw/zinc/77/05/58/824770558.db2.gz	WCSLWQXZGQQMDI-HZSPNIEDSA-N	1	0	362.478	1.657	20	30		FDEDRO
Cn1cc2c(n1)CCC[C@@H]2C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1	ZINC000329414055	824777381	/nfs/dbraw/zinc/77/73/81/824777381.db2.gz	FLYSJFFZKGRBKY-YOEHRIQHSA-N	1	0	359.474	1.492	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)c3cnc(OCC4CC4)cn3)CC2)C1=O	ZINC000329438729	824786909	/nfs/dbraw/zinc/78/69/09/824786909.db2.gz	MKGHIYIUVSUODA-INIZCTEOSA-N	1	0	373.457	1.265	20	30		FDEDRO
Cn1nccc1C1=CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1	ZINC000329465681	824812595	/nfs/dbraw/zinc/81/25/95/824812595.db2.gz	VQDZAQGDMINGLA-RTBURBONSA-N	1	0	373.501	1.801	20	30		FDEDRO
Cc1noc([C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C2CCOCC2)n1	ZINC000329526039	824853383	/nfs/dbraw/zinc/85/33/83/824853383.db2.gz	SWGXEOMJMPUMQK-OWCLPIDISA-N	1	0	363.462	1.928	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C([O-])=[NH+][C@H]1CCc2nc[nH]c2C1	ZINC000329543947	824868414	/nfs/dbraw/zinc/86/84/14/824868414.db2.gz	FRISHGGEFQUITM-OLZOCXBDSA-N	1	0	366.429	1.053	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCC3(O)CC[NH+](C)CC3)C2)n1	ZINC000474980112	824893120	/nfs/dbraw/zinc/89/31/20/824893120.db2.gz	ZNKHPGLMEPOMTH-KRWDZBQOSA-N	1	0	371.485	1.051	20	30		FDEDRO
O=C(C[C@@H]1CCNC1=O)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001087990560	824934157	/nfs/dbraw/zinc/93/41/57/824934157.db2.gz	LAOFTTVGWXNYLK-ZCNNSNEGSA-N	1	0	365.477	1.345	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnc(C)cn3)CC[C@@H]2C1	ZINC001087997924	825073518	/nfs/dbraw/zinc/07/35/18/825073518.db2.gz	HTKAXDDEPOELLK-HBFSDRIKSA-N	1	0	367.497	1.163	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC(=O)N3)C[C@@H]2C1	ZINC001088004304	825127999	/nfs/dbraw/zinc/12/79/99/825127999.db2.gz	RYVGISURDFRBKJ-CEXWTWQISA-N	1	0	366.465	1.507	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)NC(=O)NCC)C[C@H]1C(F)(F)F	ZINC001112173697	825221626	/nfs/dbraw/zinc/22/16/26/825221626.db2.gz	KXXJWTCAEKHLLW-GHMZBOCLSA-N	1	0	350.385	1.249	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3nc(OC)cc(OC)n3)C[C@@H]2C1	ZINC001088013753	825249468	/nfs/dbraw/zinc/24/94/68/825249468.db2.gz	SAKKCAIBFCDPEC-CABCVRRESA-N	1	0	360.458	1.854	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COC[C@H]2CCOC2)C[C@H]1C(F)(F)F	ZINC001112173866	825318288	/nfs/dbraw/zinc/31/82/88/825318288.db2.gz	RRCMWVWIRNYXOI-BFHYXJOUSA-N	1	0	350.381	1.595	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1CC	ZINC000984900229	825325042	/nfs/dbraw/zinc/32/50/42/825325042.db2.gz	UWHKMHLFCKFHGC-DLBZAZTESA-N	1	0	358.486	1.879	20	30		FDEDRO
O=C(c1cn[nH]n1)N1C[C@@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)CC[C@@H]2C1	ZINC001088023035	825349114	/nfs/dbraw/zinc/34/91/14/825349114.db2.gz	LCYAJPZPKJMQMP-CVEARBPZSA-N	1	0	369.856	1.904	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cnc4sccn4c3=O)C[C@@H]2C1	ZINC001088031831	825457281	/nfs/dbraw/zinc/45/72/81/825457281.db2.gz	NVGHXNQGQRITQK-KGLIPLIRSA-N	1	0	356.451	1.173	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC000984918956	825459641	/nfs/dbraw/zinc/45/96/41/825459641.db2.gz	DREIUMGPNQYWAB-FGTMMUONSA-N	1	0	369.469	1.337	20	30		FDEDRO
C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C([O-])=[NH+][C@@H]2CCc3c[nH]nc3C2)C[C@H](C)O1	ZINC000329868111	825515154	/nfs/dbraw/zinc/51/51/54/825515154.db2.gz	XAEQECDPYUXBJB-WTTBNOFXSA-N	1	0	361.490	1.755	20	30		FDEDRO
C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CC(=O)Nc1cc(-n2cnnn2)ccc1F	ZINC000329905289	825536586	/nfs/dbraw/zinc/53/65/86/825536586.db2.gz	APWHZIRDVUAYDI-HIFRSBDPSA-N	1	0	373.436	1.948	20	30		FDEDRO
C[C@H]1C[N@@H+]2CCCC[C@H]2CN1CC(=O)Nc1cc(-n2cnnn2)ccc1F	ZINC000329905293	825536669	/nfs/dbraw/zinc/53/66/69/825536669.db2.gz	APWHZIRDVUAYDI-ZFWWWQNUSA-N	1	0	373.436	1.948	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3coc4c3C(=O)NCCC4)C[C@@H]2C1	ZINC001088047781	825576699	/nfs/dbraw/zinc/57/66/99/825576699.db2.gz	SLIXQAZZFJLSBU-CABCVRRESA-N	1	0	357.454	1.926	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O	ZINC000329996387	825585668	/nfs/dbraw/zinc/58/56/68/825585668.db2.gz	OUFYLRWFWWKWJV-DYVFJYSZSA-N	1	0	366.462	1.247	20	30		FDEDRO
C[C@]1(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4C#N)CC[C@@H]3C2)CNC(=O)C1	ZINC001088050354	825598328	/nfs/dbraw/zinc/59/83/28/825598328.db2.gz	CKLNWQFXTYWUGQ-LVCYWYKZSA-N	1	0	366.465	1.365	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]3C2)CC1	ZINC000985657079	828806823	/nfs/dbraw/zinc/80/68/23/828806823.db2.gz	XKNBZYZTOGFPMH-MSOLQXFVSA-N	1	0	369.465	1.545	20	30		FDEDRO
C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)CC[N@@H+]1C	ZINC000330054511	825613263	/nfs/dbraw/zinc/61/32/63/825613263.db2.gz	SCPTXYFZBDLURS-JWDQPFGJSA-N	1	0	362.478	1.909	20	30		FDEDRO
C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCc3c(ncn(C)c3=O)C2)C1	ZINC000330076163	825622706	/nfs/dbraw/zinc/62/27/06/825622706.db2.gz	DPIYBMOXKDONEM-AWEZNQCLSA-N	1	0	361.490	1.563	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cnnn4)cn3)C[C@@H]2C1	ZINC001088052324	825631786	/nfs/dbraw/zinc/63/17/86/825631786.db2.gz	KNXWXZNBNSEYHW-CABCVRRESA-N	1	0	353.430	1.027	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CC[N@@H+]1C	ZINC000330166481	825696827	/nfs/dbraw/zinc/69/68/27/825696827.db2.gz	YCQITRFPCNMAFD-HZPDHXFCSA-N	1	0	374.489	1.345	20	30		FDEDRO
Cc1cc(N2CCC(NC(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)nc(C)n1	ZINC000330182738	825710207	/nfs/dbraw/zinc/71/02/07/825710207.db2.gz	HMMZOHHBFWAEQD-INIZCTEOSA-N	1	0	358.490	1.803	20	30		FDEDRO
Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CCC[NH+]1C	ZINC000330220905	825739731	/nfs/dbraw/zinc/73/97/31/825739731.db2.gz	QQMORCBDXLLOPW-ILZDJORESA-N	1	0	374.533	1.745	20	30		FDEDRO
CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C	ZINC000330239436	825751211	/nfs/dbraw/zinc/75/12/11/825751211.db2.gz	IGTZYHUPJOONCW-WBVHZDCISA-N	1	0	366.506	1.485	20	30		FDEDRO
CN1CCN(CC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1=O	ZINC000330244609	825764479	/nfs/dbraw/zinc/76/44/79/825764479.db2.gz	DGSFIXNVERHWLZ-GOSISDBHSA-N	1	0	374.485	1.008	20	30		FDEDRO
C[N@H+]1C[C@H]2CN(C(=O)C3CCN(C(=O)Nc4ccccc4)CC3)C[C@H]2C1	ZINC000330248014	825764806	/nfs/dbraw/zinc/76/48/06/825764806.db2.gz	LZZMTMANAAPMIP-CALCHBBNSA-N	1	0	356.470	1.964	20	30		FDEDRO
CC[NH+](CC)CCN(Cc1ccccc1)c1c(C#N)c(=O)n(C)c(=O)n1C	ZINC000447644168	828821420	/nfs/dbraw/zinc/82/14/20/828821420.db2.gz	QRAMQFBKLPPAMM-UHFFFAOYSA-N	1	0	369.469	1.304	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(n4cnnn4)CCCCC3)C[C@@H]2C1	ZINC001088063917	825774854	/nfs/dbraw/zinc/77/48/54/825774854.db2.gz	CJJBDUUMCNOJGI-SJORKVTESA-N	1	0	358.490	1.689	20	30		FDEDRO
CCNC(=O)c1ccc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nn1	ZINC000447647433	828822316	/nfs/dbraw/zinc/82/23/16/828822316.db2.gz	UVCRKEZIUPYAHG-UHFFFAOYSA-N	1	0	364.453	1.810	20	30		FDEDRO
CCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1	ZINC000330289418	825795810	/nfs/dbraw/zinc/79/58/10/825795810.db2.gz	DXLCZWYZDHGBLR-KVSKMBFKSA-N	1	0	361.490	1.922	20	30		FDEDRO
CNC(=O)[C@@]1(C)CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1	ZINC000280886638	825807207	/nfs/dbraw/zinc/80/72/07/825807207.db2.gz	DCXPLRODIIEIBG-IBGZPJMESA-N	1	0	352.442	1.817	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](OCc3ccncc3)C2)cc1	ZINC000281125595	825893722	/nfs/dbraw/zinc/89/37/22/825893722.db2.gz	XWRFPJIHDAATGX-AZUAARDMSA-N	1	0	353.422	1.984	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccn(-c2cccc(C#N)c2)n1	ZINC000281164951	825904449	/nfs/dbraw/zinc/90/44/49/825904449.db2.gz	GNBSFFLIGACUFK-OAHLLOKOSA-N	1	0	352.442	1.110	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCc2ncnn21	ZINC001029511191	825909970	/nfs/dbraw/zinc/90/99/70/825909970.db2.gz	BBEPSGSDUAYONG-OREBXVKISA-N	1	0	371.485	1.422	20	30		FDEDRO
CNC(=O)[C@]1(C)CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1	ZINC000281308937	825928908	/nfs/dbraw/zinc/92/89/08/825928908.db2.gz	XNMYZWZHLKDKSD-IFXJQAMLSA-N	1	0	360.433	1.919	20	30		FDEDRO
CN1C(=O)CC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001088071357	825936729	/nfs/dbraw/zinc/93/67/29/825936729.db2.gz	DBSXZQDALAAUPS-AABGKKOBSA-N	1	0	365.477	1.439	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCN(C)[C@@H](c3nccn3C)C2)C1	ZINC000330339214	825943281	/nfs/dbraw/zinc/94/32/81/825943281.db2.gz	WKNQHQDNHZXTNA-IAGOWNOFSA-N	1	0	362.522	1.743	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+](C)C[C@H](O)COc2c(OC)cccc2OC)C1=O	ZINC000281476090	825965174	/nfs/dbraw/zinc/96/51/74/825965174.db2.gz	WGTJADFBHPEQDL-GJZGRUSLSA-N	1	0	364.442	1.162	20	30		FDEDRO
CN1CC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4)CC[C@@H]3C2)C1=O	ZINC001088074151	825988088	/nfs/dbraw/zinc/98/80/88/825988088.db2.gz	DADZNIKZBICLLM-CEXWTWQISA-N	1	0	366.465	1.317	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)N1CCN(C(=O)c2ccco2)CC1	ZINC000262359418	826005799	/nfs/dbraw/zinc/00/57/99/826005799.db2.gz	GNEFZCKAMFMGCL-USXIJHARSA-N	1	0	374.485	1.816	20	30		FDEDRO
C[NH+]=C(NCc1ccc(C(N)=O)o1)N1CCN(c2cccc(OC)c2)CC1	ZINC000262363109	826036456	/nfs/dbraw/zinc/03/64/56/826036456.db2.gz	HDCMJCXJXDNDRO-UHFFFAOYSA-N	1	0	371.441	1.285	20	30		FDEDRO
C[C@H](O)CN1CCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CC1	ZINC000281601994	826075797	/nfs/dbraw/zinc/07/57/97/826075797.db2.gz	YGHDEFGVKYAXJF-HNNXBMFYSA-N	1	0	353.470	1.987	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1	ZINC000281773840	826223490	/nfs/dbraw/zinc/22/34/90/826223490.db2.gz	MDASLCPUZGTAJT-IEBWSBKVSA-N	1	0	373.501	1.614	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC(=C)C)NC(C)=O)C[C@H]1C(F)(F)F	ZINC001112175190	826226892	/nfs/dbraw/zinc/22/68/92/826226892.db2.gz	PAMPANATXMPPBT-QLFBSQMISA-N	1	0	359.392	1.460	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H]3C[N@@H+](C[C@@H]4CCS(=O)(=O)C4)CC[C@@H]3C2)C1	ZINC001088098271	826386809	/nfs/dbraw/zinc/38/68/09/826386809.db2.gz	BJNGDINDEOLHHS-BBWFWOEESA-N	1	0	366.527	1.558	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)CCc3cn[nH]n3)C[C@@H]2C1	ZINC001088111985	826443784	/nfs/dbraw/zinc/44/37/84/826443784.db2.gz	GWBBFQSRDQSMTJ-MSOLQXFVSA-N	1	0	364.453	1.589	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4ocnc4C)CC[C@@H]3C2)nn1	ZINC001088135222	826587003	/nfs/dbraw/zinc/58/70/03/826587003.db2.gz	BLGLOEAJELVRSC-CVEARBPZSA-N	1	0	370.457	1.745	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(C)CCCS3(=O)=O)C[C@@H]2C1	ZINC001088137423	826604187	/nfs/dbraw/zinc/60/41/87/826604187.db2.gz	MWSBFRWGSYRVBU-SOLBZPMBSA-N	1	0	354.516	1.700	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3csc(-c4nc[nH]n4)n3)C[C@@H]2C1	ZINC001088138371	826623171	/nfs/dbraw/zinc/62/31/71/826623171.db2.gz	HTNRFOXBCMLHFM-OLZOCXBDSA-N	1	0	358.471	1.898	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(-c3noc([C@@]4(C#N)CCCOC4)n3)cn2)CC1	ZINC000866905233	826625890	/nfs/dbraw/zinc/62/58/90/826625890.db2.gz	WRCROPZJEWYWMM-LJQANCHMSA-N	1	0	368.441	1.845	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)C4C=CC=CC=C4)[C@@H]3C2)C1=O	ZINC001075841006	826702399	/nfs/dbraw/zinc/70/23/99/826702399.db2.gz	XAECQVHIMYAXIC-GBESFXJTSA-N	1	0	353.466	1.604	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2CC)nc1	ZINC000985209673	826929381	/nfs/dbraw/zinc/92/93/81/826929381.db2.gz	HNEOJXHLVNQABX-FUHWJXTLSA-N	1	0	366.465	1.268	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2CC)cn1	ZINC000985210588	826934723	/nfs/dbraw/zinc/93/47/23/826934723.db2.gz	BCYBIFXJVZZUNL-ZYSHUDEJSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c([nH]c3=O)CCOC4)C[C@@H]2C1	ZINC001088166761	826954780	/nfs/dbraw/zinc/95/47/80/826954780.db2.gz	QMLPJNDKKBXCQY-ZBFHGGJFSA-N	1	0	357.454	1.830	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2ccc(C#N)nn2)CC[N@@H+]1C	ZINC001059515718	827184871	/nfs/dbraw/zinc/18/48/71/827184871.db2.gz	QDTZDVBQASFZBH-OOHRUWKFSA-N	1	0	368.485	1.695	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]2C[N@H+]([C@H](C)C(=O)N(C)C)CC[C@@H]2C1	ZINC001088183837	827308895	/nfs/dbraw/zinc/30/88/95/827308895.db2.gz	ZBJYNQHZGLQCKS-AHRSYUTCSA-N	1	0	367.493	1.467	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(=O)C(C)C)C[C@@H]2C1	ZINC001088210362	827485924	/nfs/dbraw/zinc/48/59/24/827485924.db2.gz	IVHHHWDQBKXLTK-CEXWTWQISA-N	1	0	359.514	1.827	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC000985342473	827522184	/nfs/dbraw/zinc/52/21/84/827522184.db2.gz	FEVOZUAJVIXICD-FUHWJXTLSA-N	1	0	371.485	1.728	20	30		FDEDRO
N#Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4ccnc4)C[C@@H]3C2)ccc1F	ZINC001088219449	827538910	/nfs/dbraw/zinc/53/89/10/827538910.db2.gz	DASJUTIZHYEIPB-AEFFLSMTSA-N	1	0	367.428	1.874	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1	ZINC001088234871	827596587	/nfs/dbraw/zinc/59/65/87/827596587.db2.gz	DVRSKZIWRPVBRW-NADOGSGZSA-N	1	0	358.482	1.373	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)CC2)C1	ZINC001088236410	827614606	/nfs/dbraw/zinc/61/46/06/827614606.db2.gz	UBFHERSBQBNTDG-AQNXPRMDSA-N	1	0	360.498	1.764	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@H](C[N@H+](C)Cc3ccc(C#N)cc3)C2)C1	ZINC001029741533	827959085	/nfs/dbraw/zinc/95/90/85/827959085.db2.gz	WBBCBGANSQTGLA-ATZDWAIDSA-N	1	0	368.481	1.753	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000985493039	828017000	/nfs/dbraw/zinc/01/70/00/828017000.db2.gz	IQTVWYNFRLZPMW-JLJPHGGASA-N	1	0	357.458	1.480	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)[C@H]2CC)c1	ZINC000985492518	828022844	/nfs/dbraw/zinc/02/28/44/828022844.db2.gz	WUHXKHBYHICEOP-ZYSHUDEJSA-N	1	0	368.481	1.514	20	30		FDEDRO
N#Cc1ccc(NCC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1	ZINC000440515616	828173920	/nfs/dbraw/zinc/17/39/20/828173920.db2.gz	RTXZKQVCXBVBQZ-NRFANRHFSA-N	1	0	364.449	1.723	20	30		FDEDRO
CCN1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1ncc[nH]1	ZINC000526077750	828838244	/nfs/dbraw/zinc/83/82/44/828838244.db2.gz	MGQYQGRWKYTJBW-QGZVFWFLSA-N	1	0	352.442	1.989	20	30		FDEDRO
C=CCCCNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-]	ZINC000447811726	828906205	/nfs/dbraw/zinc/90/62/05/828906205.db2.gz	HKFFIDYCCVQMFO-UHFFFAOYSA-N	1	0	356.448	1.813	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1NC(=O)CC[C@@H]1CCCO1	ZINC001211903271	829232494	/nfs/dbraw/zinc/23/24/94/829232494.db2.gz	HZAHFZCKAMBZCR-IPMKNSEASA-N	1	0	357.454	1.833	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(S(C)(=O)=O)o1	ZINC001168101890	829239627	/nfs/dbraw/zinc/23/96/27/829239627.db2.gz	ZLTBPRPNBIUQRT-HOCLYGCPSA-N	1	0	370.471	1.260	20	30		FDEDRO
CCCCNC(=O)[C@@H](C)N1C[C@@H]2CCC[C@]2(NC(=O)CSCC#N)C1	ZINC001111602556	829260868	/nfs/dbraw/zinc/26/08/68/829260868.db2.gz	HPAYMMQPABXBCN-VKJFTORMSA-N	1	0	366.531	1.519	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCCCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)s1	ZINC001088382584	829355174	/nfs/dbraw/zinc/35/51/74/829355174.db2.gz	FXRDPSHWCNEWEG-WQVCFCJDSA-N	1	0	360.483	1.602	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCOC2(CCOCC2)CC1	ZINC000528453730	829418682	/nfs/dbraw/zinc/41/86/82/829418682.db2.gz	UXHGEXXFFPPRNH-UHFFFAOYSA-N	1	0	368.433	1.558	20	30		FDEDRO
COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N	ZINC000841209282	829422654	/nfs/dbraw/zinc/42/26/54/829422654.db2.gz	ONUZDZVAQVTIQS-MISXGVKJSA-N	1	0	352.822	1.987	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1	ZINC000528517514	829434952	/nfs/dbraw/zinc/43/49/52/829434952.db2.gz	AAHKZRVNAFURAV-QZTJIDSGSA-N	1	0	357.454	1.775	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](Oc2cnccc2C#N)C1	ZINC000528521309	829435791	/nfs/dbraw/zinc/43/57/91/829435791.db2.gz	SDGQFLJVGGKFQZ-ROUUACIJSA-N	1	0	364.405	1.718	20	30		FDEDRO
Cn1ncc(-c2nc(-c3cccc(N4CC[NH+](C)CC4)n3)no2)c1C#N	ZINC000350111374	833426745	/nfs/dbraw/zinc/42/67/45/833426745.db2.gz	FDOAXERGDVVNNP-UHFFFAOYSA-N	1	0	350.386	1.156	20	30		FDEDRO
Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000450444161	829965580	/nfs/dbraw/zinc/96/55/80/829965580.db2.gz	BPUBJDCAFMCNIJ-QFBILLFUSA-N	1	0	352.438	1.808	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]3C2)CC[N@@H+]1C	ZINC000985968280	830212923	/nfs/dbraw/zinc/21/29/23/830212923.db2.gz	VTIFTCPORDNOBI-PNBKFKSVSA-N	1	0	369.469	1.147	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C1	ZINC000985965031	830215656	/nfs/dbraw/zinc/21/56/56/830215656.db2.gz	NOPKLWLPUULJAJ-RVKKMQEKSA-N	1	0	369.469	1.291	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C1	ZINC000985976625	830229335	/nfs/dbraw/zinc/22/93/35/830229335.db2.gz	USUNXOMHWJGBJJ-XHSDSOJGSA-N	1	0	369.469	1.291	20	30		FDEDRO
CC(C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C1)[NH+](C)C	ZINC000985982584	830238799	/nfs/dbraw/zinc/23/87/99/830238799.db2.gz	GZILCTCYOOFFFV-UWWQBHOKSA-N	1	0	371.485	1.393	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]3C2)CC[N@@H+]1C	ZINC000985983063	830239912	/nfs/dbraw/zinc/23/99/12/830239912.db2.gz	LGPSWNSILOVUGR-AHEZYBDSSA-N	1	0	369.469	1.147	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CCN(Cc2ccc(OC)cc2)CC1	ZINC000451609580	830401999	/nfs/dbraw/zinc/40/19/99/830401999.db2.gz	QAJQYWOJLVOFFO-MOPGFXCFSA-N	1	0	359.470	1.273	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1	ZINC000986081869	830576304	/nfs/dbraw/zinc/57/63/04/830576304.db2.gz	GJKWVIBVUGGKFA-QYZOEREBSA-N	1	0	357.498	1.581	20	30		FDEDRO
CC(C)C(=O)NCCCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000305277512	830634853	/nfs/dbraw/zinc/63/48/53/830634853.db2.gz	ADUSIPZSQDDKLV-CQSZACIVSA-N	1	0	367.494	1.029	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CCCC(=O)NC[C@@H]1CCCC[N@H+]1CCO	ZINC000452396227	830645568	/nfs/dbraw/zinc/64/55/68/830645568.db2.gz	YCSMSXHBBBMGFP-KRWDZBQOSA-N	1	0	372.469	1.630	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1	ZINC000305370365	830665642	/nfs/dbraw/zinc/66/56/42/830665642.db2.gz	XEBKMNJVYYWJQW-XHSDSOJGSA-N	1	0	364.490	1.859	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@@H]3C2)cc1	ZINC000986125843	830933533	/nfs/dbraw/zinc/93/35/33/830933533.db2.gz	DSXQCLYPSVIJTL-AABGKKOBSA-N	1	0	365.477	1.540	20	30		FDEDRO
C=C(C)Cn1c(CCCC)nnc1N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1	ZINC000453450845	830942369	/nfs/dbraw/zinc/94/23/69/830942369.db2.gz	IIFYDRFSRLJUMP-KRWDZBQOSA-N	1	0	374.533	1.988	20	30		FDEDRO
Cc1cnn(CC(=O)N[C@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)[C@@H]2C)c1	ZINC001088481056	831047652	/nfs/dbraw/zinc/04/76/52/831047652.db2.gz	JOQSCILWWXAJSF-APWZRJJASA-N	1	0	367.453	1.873	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)cn1	ZINC000986131913	831076941	/nfs/dbraw/zinc/07/69/41/831076941.db2.gz	VEMGEWBPGCMRPH-MSOLQXFVSA-N	1	0	366.465	1.079	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1	ZINC000532264662	831079468	/nfs/dbraw/zinc/07/94/68/831079468.db2.gz	ONYYDECSMKHBSC-RTBURBONSA-N	1	0	372.469	1.614	20	30		FDEDRO
CC(C)(C#N)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1	ZINC000453813281	831092250	/nfs/dbraw/zinc/09/22/50/831092250.db2.gz	CBWSUOCQIBVLGY-KRWDZBQOSA-N	1	0	372.469	1.389	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)Cc2cnn(C)c2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088485600	831308207	/nfs/dbraw/zinc/30/82/07/831308207.db2.gz	SJWXADMNXIWULE-BEFAXECRSA-N	1	0	367.453	1.644	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)/C(C)=C\C)CC[C@@H]3C2)CC1	ZINC000986245242	831355511	/nfs/dbraw/zinc/35/55/11/831355511.db2.gz	HDJAKOUPLBUPDK-SKTMDKTCSA-N	1	0	357.498	1.605	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)C4(C)CC4)CC[C@@H]3C2)CC1	ZINC000986245757	831356589	/nfs/dbraw/zinc/35/65/89/831356589.db2.gz	LNXFWZNNSHZHNJ-MSOLQXFVSA-N	1	0	357.498	1.439	20	30		FDEDRO
C[NH+]=C(NCc1cc2c(cc1OC)C[C@H](C)O2)N(C)Cc1cnn(C)c1	ZINC000262795248	831474753	/nfs/dbraw/zinc/47/47/53/831474753.db2.gz	PISIQHQKHIRMCI-ZDUSSCGKSA-N	1	0	357.458	1.960	20	30		FDEDRO
C[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)CC[C@@H]3C2)CC1	ZINC000986331895	831499076	/nfs/dbraw/zinc/49/90/76/831499076.db2.gz	BFPIRCPNIYZLNT-SJORKVTESA-N	1	0	369.469	1.149	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1	ZINC000986367178	831559269	/nfs/dbraw/zinc/55/92/69/831559269.db2.gz	OKIXVRKEENTFFU-HFTRVMKXSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=C1CC(C)(C(=O)N2CC[C@@H]3CN(C(=O)C[C@H]4CC[N@@H+](C)C4)C[C@@H]3C2)C1	ZINC000986418984	831645523	/nfs/dbraw/zinc/64/55/23/831645523.db2.gz	QKXJNPPICFRXON-KURKYZTESA-N	1	0	359.514	1.991	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C[C@H]2C1	ZINC000986480054	831749588	/nfs/dbraw/zinc/74/95/88/831749588.db2.gz	IGNJMDJRMGYCPJ-WWMYMODYSA-N	1	0	359.514	1.991	20	30		FDEDRO
CC(C)COC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CSCC#N)C1	ZINC001111602976	831867648	/nfs/dbraw/zinc/86/76/48/831867648.db2.gz	YCPAHXXXMTWLPN-JZXOWHBKSA-N	1	0	369.531	1.247	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@@H]2C1	ZINC000986599087	832024843	/nfs/dbraw/zinc/02/48/43/832024843.db2.gz	QNYCLKHXJDLADR-JZXOWHBKSA-N	1	0	368.481	1.828	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cc(C#N)ccc3OC(F)F)C[C@@H]21	ZINC000453929260	832101775	/nfs/dbraw/zinc/10/17/75/832101775.db2.gz	MAURJEMNHZPXQZ-YPMHNXCESA-N	1	0	364.352	1.261	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H]3CN(C(=O)[C@H](C4CC4)[NH+](C)C)CC[C@@H]3C2)C1	ZINC000986632483	832121018	/nfs/dbraw/zinc/12/10/18/832121018.db2.gz	BSBSZZVGTNKIAT-SQNIBIBYSA-N	1	0	359.514	1.990	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CCNC(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC001059734704	832123274	/nfs/dbraw/zinc/12/32/74/832123274.db2.gz	ZDZLOJNMINPJSF-FHLIZLRMSA-N	1	0	371.485	1.585	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)CC[C@@H]3C2)c1	ZINC000986642310	832138226	/nfs/dbraw/zinc/13/82/26/832138226.db2.gz	XUHQECUOFNAJFD-NZSAHSFTSA-N	1	0	366.465	1.078	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3[nH]c(C)cc3C)[C@H]2C)CC1	ZINC000988845049	837607532	/nfs/dbraw/zinc/60/75/32/837607532.db2.gz	XIYRZBKZYHDRGS-AEFFLSMTSA-N	1	0	370.497	1.696	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)CC[C@@H]3C2)C1	ZINC000986686048	832196863	/nfs/dbraw/zinc/19/68/63/832196863.db2.gz	MXJXWEXMZPUEBX-XHSDSOJGSA-N	1	0	369.469	1.149	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1CCc1nnn(C(C)(C)C)n1	ZINC001088511374	832321886	/nfs/dbraw/zinc/32/18/86/832321886.db2.gz	LEDMQKQNIIZTCB-OCCSQVGLSA-N	1	0	370.461	1.063	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C1C[NH+](C2CCOCC2)C1	ZINC000897404756	832369983	/nfs/dbraw/zinc/36/99/83/832369983.db2.gz	IOAYZHUIVCPCNX-UHFFFAOYSA-N	1	0	366.425	1.497	20	30		FDEDRO
COc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cc3cc(C)n[nH]3)[C@H]2C)cc1C#N	ZINC001088518524	832376765	/nfs/dbraw/zinc/37/67/65/832376765.db2.gz	JKTFMHOPXRRFIG-KDOFPFPSSA-N	1	0	367.453	1.920	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C[C@@H](O)Cc1ccccc1	ZINC001088529051	832452938	/nfs/dbraw/zinc/45/29/38/832452938.db2.gz	BGMOMDQJZTWUEX-JLSDUUJJSA-N	1	0	352.438	1.683	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)CC[C@H]1CCC[N@@H+]1C	ZINC000987648251	833516021	/nfs/dbraw/zinc/51/60/21/833516021.db2.gz	ZPVSOOOXNGKOGR-XYPHTWIQSA-N	1	0	357.458	1.480	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@@H]1C	ZINC000987978107	833858179	/nfs/dbraw/zinc/85/81/79/833858179.db2.gz	WVTJLWKUUPIMKP-UKPHBRMFSA-N	1	0	357.458	1.478	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)cc1	ZINC000988106731	834094225	/nfs/dbraw/zinc/09/42/25/834094225.db2.gz	RLLTWEFENBIWKZ-APWZRJJASA-N	1	0	369.465	1.514	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3c[nH]nc3CC)[C@H]2C)CC1	ZINC000988869268	837734527	/nfs/dbraw/zinc/73/45/27/837734527.db2.gz	JNQQXYDUWKUNMI-KDOFPFPSSA-N	1	0	371.485	1.037	20	30		FDEDRO
CC(C)[NH+]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000508661553	834300484	/nfs/dbraw/zinc/30/04/84/834300484.db2.gz	ZVGUPQNBDFAPEX-GOSISDBHSA-N	1	0	369.469	1.789	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@H]2C)cn1	ZINC000988336619	834401279	/nfs/dbraw/zinc/40/12/79/834401279.db2.gz	RPLRCZZXLZTPEU-GRGSLBFTSA-N	1	0	368.481	1.512	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)NCC[N@H+]3CC[C@H](C)C3)CC2)c1C#N	ZINC000897456362	834686486	/nfs/dbraw/zinc/68/64/86/834686486.db2.gz	DFVDAPFIWMULSF-ZDUSSCGKSA-N	1	0	362.503	1.497	20	30		FDEDRO
[NH2+]=C(NC[C@@H](N1CCOCC1)C(F)(F)F)N[C@H]1CCOc2ccccc21	ZINC000262668514	837823150	/nfs/dbraw/zinc/82/31/50/837823150.db2.gz	PYTRJHPUFREQHM-DZGCQCFKSA-N	1	0	372.391	1.678	20	30		FDEDRO
C[C@H]([NH3+])C(=O)N1[C@H](c2nc(-c3ccc(C#N)cn3)no2)[C@@H](C)OC1(C)C	ZINC001211969145	835224167	/nfs/dbraw/zinc/22/41/67/835224167.db2.gz	TVKSRXCTCZMJDP-CWSCBRNRSA-N	1	0	356.386	1.375	20	30		FDEDRO
C=CCOc1ccccc1C[NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1	ZINC000532931660	835566570	/nfs/dbraw/zinc/56/65/70/835566570.db2.gz	PTWNUPSDWZNOSG-GOSISDBHSA-N	1	0	359.470	1.274	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3ccccc3)[C@@H]2C)CC1	ZINC000988508647	835654759	/nfs/dbraw/zinc/65/47/59/835654759.db2.gz	JBYNIISUWVUXOO-APWZRJJASA-N	1	0	353.466	1.751	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H](C)n3cccc3)[C@@H]2C)CC1	ZINC000988505973	835656644	/nfs/dbraw/zinc/65/66/44/835656644.db2.gz	GVTUDLOPYDODTK-AOIWGVFYSA-N	1	0	370.497	1.500	20	30		FDEDRO
CC[C@H](OC)C(=O)N[C@@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@H]1OC	ZINC001211994946	836030663	/nfs/dbraw/zinc/03/06/63/836030663.db2.gz	PJEMRYYMFSHDGA-FGTMMUONSA-N	1	0	364.873	1.932	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)[C@@H]1C	ZINC000988628383	836298985	/nfs/dbraw/zinc/29/89/85/836298985.db2.gz	IDHQNZRSLIRIGL-BBWFWOEESA-N	1	0	358.486	1.878	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(F)cc2)C[C@H]1OC	ZINC001212022544	836301468	/nfs/dbraw/zinc/30/14/68/836301468.db2.gz	WPLCVALQXPRWEN-CGTJXYLNSA-N	1	0	366.433	1.347	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1	ZINC000938030217	836997379	/nfs/dbraw/zinc/99/73/79/836997379.db2.gz	RQGZJZYKTPFIRQ-BQFCYCMXSA-N	1	0	363.502	1.417	20	30		FDEDRO
N#Cc1cccc(CN2C[C@@H](NC(=O)c3ccnn3C(F)F)[C@@H](O)C2)c1	ZINC001083491005	844259958	/nfs/dbraw/zinc/25/99/58/844259958.db2.gz	IMNMFQNJCHXYHM-HIFRSBDPSA-N	1	0	361.352	1.125	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1	ZINC000261954297	837372663	/nfs/dbraw/zinc/37/26/63/837372663.db2.gz	ORSYPDGGXSSQFE-MSOLQXFVSA-N	1	0	369.425	1.846	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C	ZINC000989063302	838256773	/nfs/dbraw/zinc/25/67/73/838256773.db2.gz	VWPJLUGYHVGIRA-CVEARBPZSA-N	1	0	356.470	1.489	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1	ZINC000273395213	838445752	/nfs/dbraw/zinc/44/57/52/838445752.db2.gz	HHIXMXDRQNNMBW-MRXNPFEDSA-N	1	0	363.458	1.399	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)CC1	ZINC000273616429	838456052	/nfs/dbraw/zinc/45/60/52/838456052.db2.gz	VANNEQZGNDHALX-GOSISDBHSA-N	1	0	371.485	1.522	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C	ZINC000989140331	838463811	/nfs/dbraw/zinc/46/38/11/838463811.db2.gz	UZEUMMLPAOERIK-GUTXKFCHSA-N	1	0	352.398	1.146	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C)cn1	ZINC000989160166	838530077	/nfs/dbraw/zinc/53/00/77/838530077.db2.gz	ZYPJUGIJJUQAGG-RKVPGOIHSA-N	1	0	354.454	1.124	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088658633	839461848	/nfs/dbraw/zinc/46/18/48/839461848.db2.gz	MOWFREHRLZAXNC-VVWQDTPRSA-N	1	0	356.470	1.356	20	30		FDEDRO
CC(C)(C)N1CC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000897556362	839481499	/nfs/dbraw/zinc/48/14/99/839481499.db2.gz	NNASDSGKGMQMSV-SJORKVTESA-N	1	0	354.454	1.648	20	30		FDEDRO
C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCC1	ZINC001105562088	839971706	/nfs/dbraw/zinc/97/17/06/839971706.db2.gz	WBBGSUGHKIVEMB-BBWFWOEESA-N	1	0	363.502	1.736	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3CCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105585637	839996945	/nfs/dbraw/zinc/99/69/45/839996945.db2.gz	TXJHOUUDXATJOU-MLYOOKFZSA-N	1	0	350.503	1.955	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C=C(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105589562	840106251	/nfs/dbraw/zinc/10/62/51/840106251.db2.gz	ADBWCCDZAYSXSM-XNFNUYLZSA-N	1	0	363.502	1.221	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C=C(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105589563	840106622	/nfs/dbraw/zinc/10/66/22/840106622.db2.gz	ADBWCCDZAYSXSM-YAJHFMINSA-N	1	0	363.502	1.221	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(=O)[nH]n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105590551	840127160	/nfs/dbraw/zinc/12/71/60/840127160.db2.gz	LSDPRTZOWZKPKB-LFEHRJTNSA-N	1	0	360.458	1.338	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C(=O)[C@H]([NH2+]C(C)C)c2ccc(OC)cc2)C1=O	ZINC000897651124	840173935	/nfs/dbraw/zinc/17/39/35/840173935.db2.gz	SHIXFFVDPOKTKH-ZWKOTPCHSA-N	1	0	359.470	1.980	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@]2(C)OCCc3ccccc32)CC1	ZINC000897675181	840218653	/nfs/dbraw/zinc/21/86/53/840218653.db2.gz	SVFDSMYBUYLNKC-OAQYLSRUSA-N	1	0	371.481	1.357	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105593504	840259816	/nfs/dbraw/zinc/25/98/16/840259816.db2.gz	AQIJUEGRWFLLJP-FTEYMNFISA-N	1	0	361.486	1.797	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(C)c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105593859	840296967	/nfs/dbraw/zinc/29/69/67/840296967.db2.gz	HHOSAIXHDMQETJ-XSYGEPLQSA-N	1	0	358.486	1.332	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105597482	840765249	/nfs/dbraw/zinc/76/52/49/840765249.db2.gz	FWWKBFVHPDGTEW-BNDYYXHWSA-N	1	0	355.482	1.993	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105597481	840765309	/nfs/dbraw/zinc/76/53/09/840765309.db2.gz	FWWKBFVHPDGTEW-ANTGDGSKSA-N	1	0	355.482	1.993	20	30		FDEDRO
N#Cc1csc(CON=C(N)c2ccc(CN3CCOCC3)cc2)n1	ZINC000842025153	840783650	/nfs/dbraw/zinc/78/36/50/840783650.db2.gz	SYMZJYURFXEVOZ-UHFFFAOYSA-N	1	0	357.439	1.684	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1	ZINC000898121314	840790230	/nfs/dbraw/zinc/79/02/30/840790230.db2.gz	SFSXBCZIKWWLKM-OAHLLOKOSA-N	1	0	357.454	1.679	20	30		FDEDRO
C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NCC1(C#N)CCCCC1	ZINC000898126009	840797729	/nfs/dbraw/zinc/79/77/29/840797729.db2.gz	QVPYHOTVGPRDLH-MRXNPFEDSA-N	1	0	369.469	1.709	20	30		FDEDRO
NC(=[NH+]OCc1cn(CC2CC2)nn1)c1ccc(N2CCC(O)CC2)cc1	ZINC000842032719	840808312	/nfs/dbraw/zinc/80/83/12/840808312.db2.gz	IECDNNZNYXINQX-UHFFFAOYSA-N	1	0	370.457	1.486	20	30		FDEDRO
C=CCOc1ccc(C[NH2+][C@@H]2CN(C(=O)OCC)C[C@@H]2CO)cc1OC	ZINC000898359485	840966558	/nfs/dbraw/zinc/96/65/58/840966558.db2.gz	QDJKGOZNDPVTPJ-HZPDHXFCSA-N	1	0	364.442	1.799	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCOC(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105600996	841028357	/nfs/dbraw/zinc/02/83/57/841028357.db2.gz	QKHJUQFDANJTGB-JYBIWHBTSA-N	1	0	350.503	1.791	20	30		FDEDRO
CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CSCC#N)[C@H]2C(C)C)C[C@H]1O	ZINC001105601260	841030266	/nfs/dbraw/zinc/03/02/66/841030266.db2.gz	VJSJCYPMWSLRDG-LMSBXDPUSA-N	1	0	369.531	1.246	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(C)C(C)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105601363	841031279	/nfs/dbraw/zinc/03/12/79/841031279.db2.gz	XIZIHQCILXQDHC-JOCBIADPSA-N	1	0	371.909	1.183	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCOC(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105601410	841032910	/nfs/dbraw/zinc/03/29/10/841032910.db2.gz	YBMWLQMZSBEVAY-HNBVOPMISA-N	1	0	350.503	1.791	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cocn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105603015	841160242	/nfs/dbraw/zinc/16/02/42/841160242.db2.gz	CEXBVOIIJJQFID-NWGLXNPWSA-N	1	0	363.458	1.457	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cocn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105603016	841162304	/nfs/dbraw/zinc/16/23/04/841162304.db2.gz	CEXBVOIIJJQFID-VYCZESIESA-N	1	0	363.458	1.457	20	30		FDEDRO
C=CCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnns3)C2)[C@@H]1C(C)C	ZINC001105606392	841205250	/nfs/dbraw/zinc/20/52/50/841205250.db2.gz	CJTDGTOSCUGJCX-XYVMCAHJSA-N	1	0	364.515	1.970	20	30		FDEDRO
CC/C=C(\C)C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC#CCOC)C2)[C@H]1C(C)C	ZINC001105606997	841210864	/nfs/dbraw/zinc/21/08/64/841210864.db2.gz	JUSXHTWUZLIWSQ-MJTPYWJSSA-N	1	0	362.514	1.959	20	30		FDEDRO
C=CCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccnn3C)C2)[C@@H]1C(C)C	ZINC001105606913	841217546	/nfs/dbraw/zinc/21/75/46/841217546.db2.gz	IMMKQQIPOFBSJA-JYBIWHBTSA-N	1	0	360.502	1.852	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@]1(C)CCC(=O)N1	ZINC000459142544	841224058	/nfs/dbraw/zinc/22/40/58/841224058.db2.gz	SBPNSQBJYFJWLI-LJQANCHMSA-N	1	0	357.458	1.300	20	30		FDEDRO
C=CCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC(C)C)C2)[C@@H]1C(C)C	ZINC001105607677	841233020	/nfs/dbraw/zinc/23/30/20/841233020.db2.gz	VOYLOSULVLWSBL-YAJHFMINSA-N	1	0	365.518	1.443	20	30		FDEDRO
CCOCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC#CCOC)C2)[C@@H]1C(C)C	ZINC001105607900	841237596	/nfs/dbraw/zinc/23/75/96/841237596.db2.gz	ZOEVWICTCVGULW-IZBJGVDFSA-N	1	0	366.502	1.029	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3CC=CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105609895	841443396	/nfs/dbraw/zinc/44/33/96/841443396.db2.gz	CYARLMQHZRJOKG-BNDYYXHWSA-N	1	0	360.498	1.569	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCOC)C2)[C@@H]1C(C)C	ZINC001105610137	841560859	/nfs/dbraw/zinc/56/08/59/841560859.db2.gz	IFRRTCCBUKUNOX-ZAWLATJESA-N	1	0	354.491	1.192	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCOCC)C2)[C@@H]1C(C)C	ZINC001105610449	841630477	/nfs/dbraw/zinc/63/04/77/841630477.db2.gz	KMFJFHVJUOBDJZ-IZBJGVDFSA-N	1	0	368.518	1.582	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncc(C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105610727	841688619	/nfs/dbraw/zinc/68/86/19/841688619.db2.gz	MTJVEVHBTLGUCR-BNDYYXHWSA-N	1	0	355.482	1.993	20	30		FDEDRO
N#Cc1ccccc1CN1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1	ZINC001083668652	861262511	/nfs/dbraw/zinc/26/25/11/861262511.db2.gz	ZSSSLVAQRGNRLO-AABGKKOBSA-N	1	0	368.481	1.094	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@H]1C(C)C	ZINC001105613858	842224760	/nfs/dbraw/zinc/22/47/60/842224760.db2.gz	CKFLLOBEJBKZKG-LFGUQSLTSA-N	1	0	368.518	1.582	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncc(F)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105619525	842238081	/nfs/dbraw/zinc/23/80/81/842238081.db2.gz	MNGOSRNQWPXHPL-FTEYMNFISA-N	1	0	359.445	1.824	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619637	842238575	/nfs/dbraw/zinc/23/85/75/842238575.db2.gz	OQKBOIKYVUGIEC-DLVXIWMQSA-N	1	0	360.502	1.966	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)COC(C)(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105622505	842247858	/nfs/dbraw/zinc/24/78/58/842247858.db2.gz	BSFKXMWBZNESGK-ZTRFORPCSA-N	1	0	350.503	1.791	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)c2c[nH]c(C#N)c2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCF)C2	ZINC001105622594	842248234	/nfs/dbraw/zinc/24/82/34/842248234.db2.gz	DHOAILXUDMXZGH-MTNOOBJLSA-N	1	0	362.449	1.826	20	30		FDEDRO
C#CCCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCOCC)C2)[C@H]1C(C)C	ZINC001105622585	842248451	/nfs/dbraw/zinc/24/84/51/842248451.db2.gz	DFASILYVQZXJOL-LFGUQSLTSA-N	1	0	350.503	1.793	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C)nn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105623668	842252497	/nfs/dbraw/zinc/25/24/97/842252497.db2.gz	SCLQYMOPZHJWMN-KLICCBINSA-N	1	0	361.490	1.361	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)C#CC(C)(C)C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2	ZINC001105628877	842262341	/nfs/dbraw/zinc/26/23/41/842262341.db2.gz	YOQCGHVJJVVUTP-QQTQMKHKSA-N	1	0	350.503	1.384	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)nnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105633246	842281490	/nfs/dbraw/zinc/28/14/90/842281490.db2.gz	RKKMRDKYWVFUAL-WERVVEIQSA-N	1	0	370.497	1.696	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc4n(n3)CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001105633115	842281731	/nfs/dbraw/zinc/28/17/31/842281731.db2.gz	QTILTKJKOCLKCX-WERVVEIQSA-N	1	0	370.497	1.432	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)N(C)C)C2)[C@@H]1C(C)C	ZINC001105633068	842281766	/nfs/dbraw/zinc/28/17/66/842281766.db2.gz	PXNZXZXOSOQIET-YKCBXCCJSA-N	1	0	365.518	1.397	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(F)CCOCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105633586	842282219	/nfs/dbraw/zinc/28/22/19/842282219.db2.gz	VPPBUYNIJDXBGA-VXIBKDFQSA-N	1	0	366.477	1.495	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105641526	842296577	/nfs/dbraw/zinc/29/65/77/842296577.db2.gz	CDTWXMCWHFHSNA-DLVXIWMQSA-N	1	0	360.502	1.966	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(COC)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105641694	842296931	/nfs/dbraw/zinc/29/69/31/842296931.db2.gz	DJNZGJXTKJBEPD-PDOICOKGSA-N	1	0	350.503	1.955	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(COC)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105643037	842327101	/nfs/dbraw/zinc/32/71/01/842327101.db2.gz	QMPHKYAAQGJYGW-WOCWXWTJSA-N	1	0	350.503	1.955	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105643470	842339500	/nfs/dbraw/zinc/33/95/00/842339500.db2.gz	YYECHLQLIUFULS-XSYGEPLQSA-N	1	0	356.470	1.388	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NCC)C2)[C@H]1C(C)C	ZINC001105648592	842410202	/nfs/dbraw/zinc/41/02/02/842410202.db2.gz	ZJOPMFIKYOFKNA-MXHNKVEKSA-N	1	0	365.518	1.301	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCn3ccnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105647521	842413385	/nfs/dbraw/zinc/41/33/85/842413385.db2.gz	RQPOZCJCGNKWMM-JYBIWHBTSA-N	1	0	358.486	1.263	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@@H]2C(C)C)C[C@H]1O	ZINC001105651728	842444632	/nfs/dbraw/zinc/44/46/32/842444632.db2.gz	IUVIKVPBZDOLHP-URLCPOCESA-N	1	0	362.514	1.811	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1	ZINC001060036232	842452766	/nfs/dbraw/zinc/45/27/66/842452766.db2.gz	YEIZZKYQKYMVDH-KURKYZTESA-N	1	0	365.518	1.664	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@H]1C(C)C	ZINC001105653322	842460477	/nfs/dbraw/zinc/46/04/77/842460477.db2.gz	TXYIHAIHPJISIV-HNBVOPMISA-N	1	0	350.503	1.529	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C4CC4)n[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105655306	842483362	/nfs/dbraw/zinc/48/33/62/842483362.db2.gz	HIUVTWIRILHESH-WERVVEIQSA-N	1	0	370.497	1.890	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CCOC)C3)[C@H]2C(C)C)C1	ZINC001105656786	842488492	/nfs/dbraw/zinc/48/84/92/842488492.db2.gz	TWPQTUNGNNGLKL-WOCWXWTJSA-N	1	0	350.503	1.955	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C3)[C@H]2C(C)C)CCC1	ZINC001105656647	842488589	/nfs/dbraw/zinc/48/85/89/842488589.db2.gz	SFIFHNFGUAGZCT-YVTWGWGSSA-N	1	0	363.502	1.184	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cnc[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105657375	842493982	/nfs/dbraw/zinc/49/39/82/842493982.db2.gz	YNPMQTNDMUMVRI-JYBIWHBTSA-N	1	0	360.502	1.885	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(CF)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105658981	842500759	/nfs/dbraw/zinc/50/07/59/842500759.db2.gz	LPPRXYURRJJMBQ-WOCWXWTJSA-N	1	0	366.477	1.352	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ncc[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105661054	842652023	/nfs/dbraw/zinc/65/20/23/842652023.db2.gz	DABGTFMZQUGPLL-XNFNUYLZSA-N	1	0	360.502	1.885	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(CC)cc2)C[C@@H]1O	ZINC001083470905	842654651	/nfs/dbraw/zinc/65/46/51/842654651.db2.gz	UWRLCDQULUCADI-ZRNYENFQSA-N	1	0	358.482	1.892	20	30		FDEDRO
CCC[NH+]1CCC(CNC(=O)C(=O)N(C)Cc2cccc(C#N)c2)CC1	ZINC000477626908	842678547	/nfs/dbraw/zinc/67/85/47/842678547.db2.gz	NJIDUZURUQUGAR-UHFFFAOYSA-N	1	0	356.470	1.755	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(=O)N(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105663864	842858489	/nfs/dbraw/zinc/85/84/89/842858489.db2.gz	VWJQDUFVSZCFKV-YKCBXCCJSA-N	1	0	365.518	1.397	20	30		FDEDRO
Cc1cncn1CC(=O)N[C@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)[C@@H]1C	ZINC001088749704	842885032	/nfs/dbraw/zinc/88/50/32/842885032.db2.gz	KGJJZCCBJYWCQV-APWZRJJASA-N	1	0	367.453	1.873	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(CC=C)nn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105664241	842891833	/nfs/dbraw/zinc/89/18/33/842891833.db2.gz	XHYKQYBSUNBKJB-DLVXIWMQSA-N	1	0	371.485	1.067	20	30		FDEDRO
CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N[C@@H]2CCC[C@H]2C#N)CC1	ZINC000461777626	843152034	/nfs/dbraw/zinc/15/20/34/843152034.db2.gz	NDQSNPWBVXPEEQ-DZGCQCFKSA-N	1	0	358.446	1.287	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC(=O)NC4)[C@@H]3C2)cc1	ZINC001075978608	843190485	/nfs/dbraw/zinc/19/04/85/843190485.db2.gz	SRVPCDYXDYUFRQ-FGTMMUONSA-N	1	0	352.438	1.117	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(=O)NCC3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105666786	843321684	/nfs/dbraw/zinc/32/16/84/843321684.db2.gz	JUILPYASEPIJRT-WWNBULGVSA-N	1	0	363.502	1.055	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCC(=O)N(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105667050	843450664	/nfs/dbraw/zinc/45/06/64/843450664.db2.gz	NDAJMHVBQQQXES-YAJHFMINSA-N	1	0	365.518	1.397	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCCCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667181	843518760	/nfs/dbraw/zinc/51/87/60/843518760.db2.gz	PAHRYIHVEDEVGG-PSBWJHGTSA-N	1	0	354.491	1.192	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nc(C)oc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667604	843659647	/nfs/dbraw/zinc/65/96/47/843659647.db2.gz	SFZDPCUUHCOHES-CIWUYKSXSA-N	1	0	359.470	1.894	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCCC(N)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105668067	843753396	/nfs/dbraw/zinc/75/33/96/843753396.db2.gz	WAWVJSMBWXDRCC-YKCBXCCJSA-N	1	0	363.502	1.022	20	30		FDEDRO
C#CCN(C(=O)NCc1cc(C(F)(F)F)n(C)n1)C1CC[NH+](C)CC1	ZINC000898538863	844814146	/nfs/dbraw/zinc/81/41/46/844814146.db2.gz	ZSXBAHYUXQKJOG-UHFFFAOYSA-N	1	0	357.380	1.678	20	30		FDEDRO
CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)C1	ZINC000898566145	844872239	/nfs/dbraw/zinc/87/22/39/844872239.db2.gz	FUGDFDNRLKKVCZ-HXUWFJFHSA-N	1	0	368.481	1.706	20	30		FDEDRO
N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N3CCC([NH3+])CC3)c2)s1	ZINC000842162521	845130007	/nfs/dbraw/zinc/13/00/07/845130007.db2.gz	XBDMHNHBPUIJCS-UHFFFAOYSA-N	1	0	368.462	1.853	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N(C)C1CCC([NH3+])CC1)C(C)C	ZINC000842193380	845449796	/nfs/dbraw/zinc/44/97/96/845449796.db2.gz	KPZKHJQXWWYEQV-DAWZGUTISA-N	1	0	364.534	1.530	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)Nc1n[nH]cc1C(=O)NCc1ccc(OC)cc1	ZINC000913175021	861589733	/nfs/dbraw/zinc/58/97/33/861589733.db2.gz	IQAJGDGKTOFTKW-UHFFFAOYSA-N	1	0	371.441	1.795	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncnc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105675716	845743518	/nfs/dbraw/zinc/74/35/18/845743518.db2.gz	RAVCSHQKIVLXMQ-XCJLJZCSSA-N	1	0	370.497	1.642	20	30		FDEDRO
C#CC1(O)CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC1	ZINC000899116353	845809668	/nfs/dbraw/zinc/80/96/68/845809668.db2.gz	JSUOMDYFVOFCMQ-UHFFFAOYSA-N	1	0	355.482	1.576	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000899129624	845835006	/nfs/dbraw/zinc/83/50/06/845835006.db2.gz	ZLIQJCTVDKKIJW-CEXWTWQISA-N	1	0	370.497	1.889	20	30		FDEDRO
CCC1([NH+]2CCOCC2)CCN(C(=O)c2cnn(CCC#N)c2C)CC1	ZINC000899147808	845865206	/nfs/dbraw/zinc/86/52/06/845865206.db2.gz	BQBBVYAXANGGIC-UHFFFAOYSA-N	1	0	359.474	1.822	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000899952507	846934566	/nfs/dbraw/zinc/93/45/66/846934566.db2.gz	HTOLWSCJDSHFGB-UHFFFAOYSA-N	1	0	374.485	1.428	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCN(S(C)(=O)=O)C1)N1CCC(OC(C)(C)C)CC1	ZINC000159579352	847503023	/nfs/dbraw/zinc/50/30/23/847503023.db2.gz	POPNJOMNCAKCSQ-CQSZACIVSA-N	1	0	374.551	1.123	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCN(C(C)C)C4=O)C[C@H]32)c1	ZINC001076223088	847591035	/nfs/dbraw/zinc/59/10/35/847591035.db2.gz	HMZAZSXGKNEDBY-YTQUADARSA-N	1	0	366.465	1.219	20	30		FDEDRO
C[NH+]1C[C@]2(C)CN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)C[C@@]2(C)C1	ZINC000913290024	861809205	/nfs/dbraw/zinc/80/92/05/861809205.db2.gz	NCFKJJACJYCNDF-WOJBJXKFSA-N	1	0	364.453	1.740	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001076246965	847651621	/nfs/dbraw/zinc/65/16/21/847651621.db2.gz	RYULYBBTCHCCOJ-ZSYWTGECSA-N	1	0	366.465	1.315	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cncc(C)c4)C[C@H]32)nn1	ZINC001076334852	847878414	/nfs/dbraw/zinc/87/84/14/847878414.db2.gz	NGPLRWMCTXJIBG-FUHWJXTLSA-N	1	0	352.442	1.514	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ncccc4F)[C@@H]3C2)C1=O	ZINC001076400264	848060065	/nfs/dbraw/zinc/06/00/65/848060065.db2.gz	UNVZUKJUOGJWHS-NUEKZKHPSA-N	1	0	358.417	1.154	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4cccc(F)c4)[C@@H]3C2)C1=O	ZINC001076535602	848362279	/nfs/dbraw/zinc/36/22/79/848362279.db2.gz	VMLHPSFYMXQDPD-YTQUADARSA-N	1	0	371.456	1.688	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C	ZINC001076726781	848858677	/nfs/dbraw/zinc/85/86/77/848858677.db2.gz	XEMDDKWUUUOGDW-QAETUUGQSA-N	1	0	353.507	1.565	20	30		FDEDRO
C=CCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1	ZINC001076734313	848895459	/nfs/dbraw/zinc/89/54/59/848895459.db2.gz	KHLMGRKWTDPISP-WDYCEAGBSA-N	1	0	365.518	1.711	20	30		FDEDRO
Cc1ccccc1CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1	ZINC001076855674	849214009	/nfs/dbraw/zinc/21/40/09/849214009.db2.gz	HIHDHBNIBFHUDV-RTBURBONSA-N	1	0	352.438	1.603	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CCc3ccc(Cl)cc3)C[C@H]2O)c1	ZINC001076855872	849214476	/nfs/dbraw/zinc/21/44/76/849214476.db2.gz	QWOITJVPKQSPEF-IAGOWNOFSA-N	1	0	358.829	1.557	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCc4ccc(F)cc43)C[C@H]2O)c[nH]1	ZINC001076907340	849302143	/nfs/dbraw/zinc/30/21/43/849302143.db2.gz	LPHGGDWFZAZMGY-GUDVDZBRSA-N	1	0	368.412	1.878	20	30		FDEDRO
CC(C)(C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O)[NH+]1CCCCC1	ZINC001076990595	849488320	/nfs/dbraw/zinc/48/83/20/849488320.db2.gz	GJEQJKNLRYVEID-RTBURBONSA-N	1	0	370.497	1.484	20	30		FDEDRO
CNC(=O)C[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccccc1	ZINC000483404554	849535092	/nfs/dbraw/zinc/53/50/92/849535092.db2.gz	OVQLRKULOMQSRR-GOSISDBHSA-N	1	0	350.422	1.641	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)C[N@H+](C)C1CCC1	ZINC001077022384	849561415	/nfs/dbraw/zinc/56/14/15/849561415.db2.gz	XSYVDBNBZLMUMV-ZVZYQTTQSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)C1	ZINC001077047967	849625651	/nfs/dbraw/zinc/62/56/51/849625651.db2.gz	YNVKPRFPZBJZQI-OWCLPIDISA-N	1	0	351.491	1.151	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](C[C@H](OC)c2ccccc2)C[C@H]1O	ZINC001077139024	849872936	/nfs/dbraw/zinc/87/29/36/849872936.db2.gz	UJMNGNBNXZOJMI-RLLQIKCJSA-N	1	0	369.465	1.837	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)C1CC[NH+](C)CC1	ZINC001077183553	850003246	/nfs/dbraw/zinc/00/32/46/850003246.db2.gz	PWULBTFPVZABBY-SZMVWBNQSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)C1	ZINC001077424598	851484058	/nfs/dbraw/zinc/48/40/58/851484058.db2.gz	AMDIZSSSILDFNS-MTQWCTHYSA-N	1	0	357.498	1.984	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)C1	ZINC000668434696	851561507	/nfs/dbraw/zinc/56/15/07/851561507.db2.gz	QFUDODXQNJGKEL-QZTJIDSGSA-N	1	0	364.534	1.189	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+]C[C@@H](O)C[C@@H](O)c3ccccc3)CC2)nc1	ZINC000905089827	851639052	/nfs/dbraw/zinc/63/90/52/851639052.db2.gz	RVBYJQKMCTXUIF-VQTJNVASSA-N	1	0	366.465	1.996	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@@]1(C)CC1(Br)Br	ZINC000913523447	862289688	/nfs/dbraw/zinc/28/96/88/862289688.db2.gz	AJLJZTFPMFQYRL-SNVBAGLBSA-N	1	0	352.070	1.564	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1	ZINC000913525079	862289761	/nfs/dbraw/zinc/28/97/61/862289761.db2.gz	JTPRTURIIWNTCK-CQSZACIVSA-N	1	0	365.227	1.212	20	30		FDEDRO
C#CC[C@H](CO)[NH2+]C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2	ZINC000905357569	851857073	/nfs/dbraw/zinc/85/70/73/851857073.db2.gz	MARQFXQNOBZAAJ-HZPDHXFCSA-N	1	0	370.371	1.141	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)cc1	ZINC000905447680	851925971	/nfs/dbraw/zinc/92/59/71/851925971.db2.gz	SSVRQRRPEKXJAH-YPMHNXCESA-N	1	0	368.302	1.640	20	30		FDEDRO
COc1ccc(F)cc1CC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000905478876	851951926	/nfs/dbraw/zinc/95/19/26/851951926.db2.gz	OYDRLMKRAGHLLH-UHFFFAOYSA-N	1	0	363.414	1.707	20	30		FDEDRO
CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC#CC[NH+](C)C	ZINC000913518420	862302765	/nfs/dbraw/zinc/30/27/65/862302765.db2.gz	OJISWSPLSLUSKR-IBGZPJMESA-N	1	0	355.482	1.667	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1ccccc1CS(=O)(=O)c1ccccc1	ZINC000913518430	862303391	/nfs/dbraw/zinc/30/33/91/862303391.db2.gz	OOIQKVMVFSKQIO-UHFFFAOYSA-N	1	0	370.474	1.955	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H](O)Cc2ccc(F)cc2)c1	ZINC000905472672	851971259	/nfs/dbraw/zinc/97/12/59/851971259.db2.gz	KYYPHFMPNWQNFD-KRWDZBQOSA-N	1	0	362.426	1.664	20	30		FDEDRO
CN(C)S(=O)(=O)Cc1ccc(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)cc1	ZINC000905515611	851972306	/nfs/dbraw/zinc/97/23/06/851972306.db2.gz	FKPGNNNVBLJVIB-LJQANCHMSA-N	1	0	373.478	1.773	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccncc1	ZINC000913522703	862307830	/nfs/dbraw/zinc/30/78/30/862307830.db2.gz	VVJPHPDFFKRICB-PKOBYXMFSA-N	1	0	354.454	1.205	20	30		FDEDRO
COC(=O)c1cc(Br)cc(C(=O)NCC#CC[NH+](C)C)c1	ZINC000913522765	862309195	/nfs/dbraw/zinc/30/91/95/862309195.db2.gz	XSLFPNACNWDADB-UHFFFAOYSA-N	1	0	353.216	1.531	20	30		FDEDRO
CC(C)O[C@@]1(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CCOC1	ZINC000905559525	852036065	/nfs/dbraw/zinc/03/60/65/852036065.db2.gz	XREPFTNBTMNECG-QGZVFWFLSA-N	1	0	352.456	1.506	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCCN2CC(F)(F)F)cc1	ZINC000905564781	852039292	/nfs/dbraw/zinc/03/92/92/852039292.db2.gz	NIGSVHFCWKYCDC-HUUCEWRRSA-N	1	0	357.376	1.914	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCc3nnn(C)c3C2)c(OC)c1	ZINC000905632401	852101584	/nfs/dbraw/zinc/10/15/84/852101584.db2.gz	HCLAPNUCSBRERC-HZPDHXFCSA-N	1	0	372.469	1.439	20	30		FDEDRO
COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]C[C@@H](O)COc3ccc(CC#N)cc3)[C@@H]2C1	ZINC000905655689	852123128	/nfs/dbraw/zinc/12/31/28/852123128.db2.gz	YBUGNKTYXJJZMW-RTYCURFASA-N	1	0	358.438	1.670	20	30		FDEDRO
C[C@@]1([C@@H]2CCCN(Cn3cc4c(c(C#N)c3=O)CCCC4)C2)COC(=O)N1	ZINC000905700462	852180795	/nfs/dbraw/zinc/18/07/95/852180795.db2.gz	HMBWQVRYWAAHDI-QRWLVFNGSA-N	1	0	370.453	1.767	20	30		FDEDRO
C=CC[C@H](NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C(=O)OC	ZINC000905772303	852257000	/nfs/dbraw/zinc/25/70/00/852257000.db2.gz	MNCDQZWZJFVNQT-SFHVURJKSA-N	1	0	359.470	1.591	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1	ZINC000668494355	852296154	/nfs/dbraw/zinc/29/61/54/852296154.db2.gz	PEMCCRDTJMYXAM-UHFFFAOYSA-N	1	0	373.497	1.648	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@@H]1COC(C)(C)C1)C(C)C	ZINC000668531989	852721034	/nfs/dbraw/zinc/72/10/34/852721034.db2.gz	QMEOFFJFKNZBGJ-HOTGVXAUSA-N	1	0	351.491	1.485	20	30		FDEDRO
C#CCN(C(=O)[C@H](CCC)CCCS(C)(=O)=O)C1CC[NH+](C)CC1	ZINC000906452312	852901563	/nfs/dbraw/zinc/90/15/63/852901563.db2.gz	QQYXJMDHNVBGNQ-MRXNPFEDSA-N	1	0	356.532	1.784	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2	ZINC000906725087	853266287	/nfs/dbraw/zinc/26/62/87/853266287.db2.gz	QOAIRVLGLMBMNP-GUIRCDHDSA-N	1	0	358.467	1.886	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC(CC[NH+]3CCOCC3)CC2)nc1	ZINC000906887472	853505204	/nfs/dbraw/zinc/50/52/04/853505204.db2.gz	OXAPPGIKNSYNBX-UHFFFAOYSA-N	1	0	364.471	1.076	20	30		FDEDRO
C#Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc1	ZINC000907074786	853740778	/nfs/dbraw/zinc/74/07/78/853740778.db2.gz	BSKZNHMIVAIZGM-KRWDZBQOSA-N	1	0	365.499	1.039	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)NCC1([NH+]2CCCCC2)CCOCC1	ZINC000668589778	853814695	/nfs/dbraw/zinc/81/46/95/853814695.db2.gz	VNDGQZGBVXBHPZ-KRWDZBQOSA-N	1	0	351.491	1.609	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]1OC	ZINC001212148781	862561380	/nfs/dbraw/zinc/56/13/80/862561380.db2.gz	RQAXLBIWNVLWEX-KZNAEPCWSA-N	1	0	354.491	1.029	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCN(S(=O)(=O)N(CCC)CCC)CC1	ZINC000907722776	854567690	/nfs/dbraw/zinc/56/76/90/854567690.db2.gz	XEMZBHLSYIAIBZ-UHFFFAOYSA-N	1	0	374.551	1.005	20	30		FDEDRO
N#CCc1ccc(CS(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cc1	ZINC000908013513	854909171	/nfs/dbraw/zinc/90/91/71/854909171.db2.gz	TUUWNMNSRKEEQH-MSOLQXFVSA-N	1	0	363.483	1.113	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1	ZINC000908221907	855172821	/nfs/dbraw/zinc/17/28/21/855172821.db2.gz	DTNBNMJKVUSRIO-HNNXBMFYSA-N	1	0	351.472	1.074	20	30		FDEDRO
C=CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1	ZINC000908653986	855658857	/nfs/dbraw/zinc/65/88/57/855658857.db2.gz	CQEFVQUSZSONRG-IFXJQAMLSA-N	1	0	360.506	1.770	20	30		FDEDRO
C=CCn1c(-c2cnsn2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000908714196	855718719	/nfs/dbraw/zinc/71/87/19/855718719.db2.gz	ILOZVGRYCXJWMU-CYBMUJFWSA-N	1	0	361.475	1.284	20	30		FDEDRO
C=CCn1c(-c2ncon2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1	ZINC000908732761	855727138	/nfs/dbraw/zinc/72/71/38/855727138.db2.gz	VLZHKUZXNAXKAV-DZGCQCFKSA-N	1	0	355.446	1.967	20	30		FDEDRO
C=CCn1c(-c2ccc(=O)n(C)c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C	ZINC000908739677	855736334	/nfs/dbraw/zinc/73/63/34/855736334.db2.gz	AJXVNGAMZGVUJT-CABCVRRESA-N	1	0	356.474	1.749	20	30		FDEDRO
C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1	ZINC000909231653	856333954	/nfs/dbraw/zinc/33/39/54/856333954.db2.gz	FVSSZPXIIKIYLI-JTDSTZFVSA-N	1	0	363.506	1.966	20	30		FDEDRO
C=C(C)Cn1c([C@H]2CNC(=O)C2)nnc1N1CCC(CC)([NH+]2CCC2)CC1	ZINC000909294832	856377326	/nfs/dbraw/zinc/37/73/26/856377326.db2.gz	XYDYIUPOINAZQF-MRXNPFEDSA-N	1	0	372.517	1.912	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@@H](C(=O)NCC4CC4)C3)C2=O)cc1	ZINC000249708499	862801257	/nfs/dbraw/zinc/80/12/57/862801257.db2.gz	CDKKEWRAJXAUHZ-IEBWSBKVSA-N	1	0	366.465	1.902	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1	ZINC000487581705	856484984	/nfs/dbraw/zinc/48/49/84/856484984.db2.gz	JXPZRDJGLFJJGA-ZWKOTPCHSA-N	1	0	360.433	1.874	20	30		FDEDRO
C=CCCCNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1	ZINC000669289138	862827317	/nfs/dbraw/zinc/82/73/17/862827317.db2.gz	WDFONOPPQPBWJE-SFHVURJKSA-N	1	0	358.486	1.001	20	30		FDEDRO
CC1(C)CO[C@@H](CC(=O)N[C@@H]2CN(CC#Cc3ccccc3)C[C@@H]2O)C1	ZINC001083633659	856869558	/nfs/dbraw/zinc/86/95/58/856869558.db2.gz	IUDWKMHNCBTNOV-OTWHNJEPSA-N	1	0	356.466	1.405	20	30		FDEDRO
C#CC[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)C1	ZINC000910831203	857774208	/nfs/dbraw/zinc/77/42/08/857774208.db2.gz	WHOHXOAWYMFGSC-IRXDYDNUSA-N	1	0	354.454	1.381	20	30		FDEDRO
C[C@H]1CCCN(C(=O)C(=O)N(c2ccc(C#N)cn2)[C@@H]2CCC[NH2+]C2)C1	ZINC000910858374	857787872	/nfs/dbraw/zinc/78/78/72/857787872.db2.gz	NFTMWVPSBIRJNU-GOEBONIOSA-N	1	0	355.442	1.297	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CC[C@@H](c2cccc(C)c2)C1)C1CC[NH+](C)CC1	ZINC000910882088	857831014	/nfs/dbraw/zinc/83/10/14/857831014.db2.gz	CZCRQCWDLXWFFZ-LJQANCHMSA-N	1	0	367.493	1.867	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]CC2)CC1	ZINC000911072407	858113969	/nfs/dbraw/zinc/11/39/69/858113969.db2.gz	KTZIDIBSQCFDLI-HNNXBMFYSA-N	1	0	353.532	1.650	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@@H]2COC[C@@H]2C1	ZINC000669336237	863003230	/nfs/dbraw/zinc/00/32/30/863003230.db2.gz	YIGNZOBRVBQNFQ-XDNAFOTISA-N	1	0	373.501	1.863	20	30		FDEDRO
C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CC[NH+](C(C)(C)CC)CC1	ZINC000669336265	863003734	/nfs/dbraw/zinc/00/37/34/863003734.db2.gz	CTXOGXRKBBRDNJ-UHFFFAOYSA-N	1	0	358.494	1.960	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21	ZINC000911330272	858471380	/nfs/dbraw/zinc/47/13/80/858471380.db2.gz	JMCOIRDAWAJUME-UZLBHIALSA-N	1	0	373.453	1.067	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)CCCCC1	ZINC000911335856	858477575	/nfs/dbraw/zinc/47/75/75/858477575.db2.gz	BSLWHTFUKKNYQO-RYUDHWBXSA-N	1	0	360.380	1.315	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C	ZINC000911395693	858581962	/nfs/dbraw/zinc/58/19/62/858581962.db2.gz	OTMJOAQIMVVTLY-CRAIPNDOSA-N	1	0	354.454	1.435	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)C[C@H](C)N1CC#N	ZINC000911705077	858935935	/nfs/dbraw/zinc/93/59/35/858935935.db2.gz	ANYPJGNXVDIMCJ-HDICACEKSA-N	1	0	370.501	1.038	20	30		FDEDRO
CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1	ZINC000912254375	859549378	/nfs/dbraw/zinc/54/93/78/859549378.db2.gz	BFTNMPCAJJMRST-LJQANCHMSA-N	1	0	370.497	1.954	20	30		FDEDRO
CC(C)[C@H]1CN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC[N@@H+]1C	ZINC000489330973	859693303	/nfs/dbraw/zinc/69/33/03/859693303.db2.gz	POWRQGOMEDPOGN-RTBURBONSA-N	1	0	368.481	1.848	20	30		FDEDRO
CC(C)[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC[N@@H+]1C	ZINC000489330971	859694062	/nfs/dbraw/zinc/69/40/62/859694062.db2.gz	POWRQGOMEDPOGN-OALUTQOASA-N	1	0	368.481	1.848	20	30		FDEDRO
COCC[NH+]=C(NCC(=O)NCc1ccc(OC)cc1)NC(C)(C)C	ZINC000912509606	859833854	/nfs/dbraw/zinc/83/38/54/859833854.db2.gz	LFKBIMFZPHWEKL-UHFFFAOYSA-N	1	0	350.463	1.292	20	30		FDEDRO
C=CC[NH+]=C(NCc1ccc(O)cc1)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000912517984	859842066	/nfs/dbraw/zinc/84/20/66/859842066.db2.gz	IUWZTJSRABKKTC-SFHVURJKSA-N	1	0	358.486	1.678	20	30		FDEDRO
CN(CC[N@H+](C)CCO)C(=O)Cc1ccc(Br)cc1C#N	ZINC000912600159	859934505	/nfs/dbraw/zinc/93/45/05/859934505.db2.gz	SKZXDRJFARIYKC-UHFFFAOYSA-N	1	0	354.248	1.246	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@H](COCC)C1	ZINC000669033891	860865886	/nfs/dbraw/zinc/86/58/86/860865886.db2.gz	BQNZWRPAIOOEHF-BBWFWOEESA-N	1	0	361.490	1.863	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CCC([NH+]4CCC4)CC3)cc2C1=O	ZINC000912883411	860995518	/nfs/dbraw/zinc/99/55/18/860995518.db2.gz	BBTJPQVXZMEYQB-UHFFFAOYSA-N	1	0	353.422	1.779	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C	ZINC001106872477	881622937	/nfs/dbraw/zinc/62/29/37/881622937.db2.gz	UTHBJUSQNXHIQK-HZPDHXFCSA-N	1	0	366.506	1.535	20	30		FDEDRO
CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CSCC#N)C1	ZINC001111599830	863312154	/nfs/dbraw/zinc/31/21/54/863312154.db2.gz	FFHMVNRBTOCCFO-YOEHRIQHSA-N	1	0	352.504	1.082	20	30		FDEDRO
C=CCc1cc(CNC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)cc(OC)c1OC	ZINC000669430416	863460498	/nfs/dbraw/zinc/46/04/98/863460498.db2.gz	QEDLWWPMTDMKCB-CXAGYDPISA-N	1	0	363.458	1.690	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC#Cc2cccc(F)c2)CC1	ZINC000511488812	863493864	/nfs/dbraw/zinc/49/38/64/863493864.db2.gz	HHHKKKGYJKYAEZ-UHFFFAOYSA-N	1	0	374.460	1.419	20	30		FDEDRO
COC(=O)NCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)[C@H](C)C1	ZINC001105874465	863582596	/nfs/dbraw/zinc/58/25/96/863582596.db2.gz	KAUXYILHKHQZKY-IUODEOHRSA-N	1	0	362.405	1.237	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)OC)C[C@H]2C)c1	ZINC001105884282	863643876	/nfs/dbraw/zinc/64/38/76/863643876.db2.gz	ZCILRLUCGXKQHD-HLLBOEOZSA-N	1	0	357.454	1.325	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CNc2ccncc2C#N)CC[N@@H+]1C	ZINC001060316304	863773353	/nfs/dbraw/zinc/77/33/53/863773353.db2.gz	REOPKUIUBLOTAJ-ZIFCJYIRSA-N	1	0	355.486	1.898	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@H]1C	ZINC001105910730	863925992	/nfs/dbraw/zinc/92/59/92/863925992.db2.gz	WTTVETYQXGVKRE-BRWVUGGUSA-N	1	0	351.491	1.132	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCC2)[C@H](C)C1	ZINC001105910868	863927217	/nfs/dbraw/zinc/92/72/17/863927217.db2.gz	ZMJJNULJYLPXDG-IXDOHACOSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccn(C)c(=O)c2)[C@H](C)C1	ZINC001105912537	863942772	/nfs/dbraw/zinc/94/27/72/863942772.db2.gz	HQOTZMJJLZQRFB-JFIYKMOQSA-N	1	0	361.486	1.551	20	30		FDEDRO
C[NH+]1CCN(C[C@H](NC(=O)N2CCC[C@H](C#N)C2)c2ccccc2)CC1	ZINC000916522723	881711674	/nfs/dbraw/zinc/71/16/74/881711674.db2.gz	VUTZRYOQASDYIR-MJGOQNOKSA-N	1	0	355.486	1.920	20	30		FDEDRO
CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@]2(C)C1	ZINC001101189781	863958551	/nfs/dbraw/zinc/95/85/51/863958551.db2.gz	IIRIFVJQMSUPDE-NBQZKYEYSA-N	1	0	371.485	1.441	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(CC)o2)[C@H](C)C1	ZINC001105914772	863966914	/nfs/dbraw/zinc/96/69/14/863966914.db2.gz	FAFNIJATYGQWKK-QLFBSQMISA-N	1	0	350.463	1.797	20	30		FDEDRO
C[NH+]=C(NCC1(N2CCOCC2)CCCCC1)N1CC[C@]2(CCOC2)C1	ZINC000158119420	864069170	/nfs/dbraw/zinc/06/91/70/864069170.db2.gz	HEEFXCLAMGCUGT-IBGZPJMESA-N	1	0	364.534	1.709	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2cccc3c2OCCO3)[C@H](C)C1	ZINC001105941766	864152082	/nfs/dbraw/zinc/15/20/82/864152082.db2.gz	KQKLFHQEPLRNOJ-NVXWUHKLSA-N	1	0	360.454	1.845	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+][C@@H]2CCc3ccccc3NC2=O)[C@H](C)C1	ZINC001105941884	864153312	/nfs/dbraw/zinc/15/33/12/864153312.db2.gz	OMGZYVYJRKRTKE-SZVBFZGTSA-N	1	0	371.481	1.827	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC(C)CC2)[C@H](C)C1	ZINC001105943208	864167224	/nfs/dbraw/zinc/16/72/24/864167224.db2.gz	YUQLHWGFBBTCHW-IAGOWNOFSA-N	1	0	351.491	1.132	20	30		FDEDRO
Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCC[C@H](CC#N)C1	ZINC000595620204	864169141	/nfs/dbraw/zinc/16/91/41/864169141.db2.gz	KKIHVLFUNSMNON-CYBMUJFWSA-N	1	0	350.444	1.207	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCc2ccccc2)[C@H](C)C1	ZINC001105951495	864210252	/nfs/dbraw/zinc/21/02/52/864210252.db2.gz	FCLDAXHVDPOORT-YQVWRLOYSA-N	1	0	370.497	1.579	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCC2CC2)C[C@H]1C	ZINC001105964450	864250833	/nfs/dbraw/zinc/25/08/33/864250833.db2.gz	IIIQMJZBOXWZEB-IIAWOOMASA-N	1	0	364.490	1.261	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000761172803	864273672	/nfs/dbraw/zinc/27/36/72/864273672.db2.gz	BIMJLDMHTSDKHN-IAQYHMDHSA-N	1	0	360.389	1.265	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]CC(=O)N1CCCC[C@H]1C	ZINC001105985401	864347451	/nfs/dbraw/zinc/34/74/51/864347451.db2.gz	IOIJIXUQSNMBBP-BFYDXBDKSA-N	1	0	371.485	1.585	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCCC(=O)N2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088850686	864629362	/nfs/dbraw/zinc/62/93/62/864629362.db2.gz	DMQICRZTOVUUHK-JLSDUUJJSA-N	1	0	354.454	1.696	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2cccnc2)C[C@H]1C	ZINC001106011542	864643950	/nfs/dbraw/zinc/64/39/50/864643950.db2.gz	RDINQMHIVYMWBJ-IEBWSBKVSA-N	1	0	370.497	1.509	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]CC(=O)N1CCC(C)CC1	ZINC001106024604	864779934	/nfs/dbraw/zinc/77/99/34/864779934.db2.gz	IKLDFCXGZOUCFX-NVXWUHKLSA-N	1	0	371.485	1.443	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]CC(=O)N1CCC[C@@H](C)C1	ZINC001106024660	864780779	/nfs/dbraw/zinc/78/07/79/864780779.db2.gz	JUDYASQQVUZLQQ-BFYDXBDKSA-N	1	0	371.485	1.443	20	30		FDEDRO
CC(C)N(C)C(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC001106028027	864865745	/nfs/dbraw/zinc/86/57/45/864865745.db2.gz	NWPOMUZKDYCWRA-IIAWOOMASA-N	1	0	359.474	1.439	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)CN(CN3CC[C@H]([NH+]4CCCC4)C3)C2=O)cc1	ZINC000170728669	864902212	/nfs/dbraw/zinc/90/22/12/864902212.db2.gz	SEQGLZBHDWWPEC-SFHVURJKSA-N	1	0	367.453	1.450	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(CC)cc2)[C@H](C)C1	ZINC001106034634	864914186	/nfs/dbraw/zinc/91/41/86/864914186.db2.gz	JGHLUZPVADKWBF-VQIMIIECSA-N	1	0	355.482	1.573	20	30		FDEDRO
CN1CCN(c2ncccc2CNC(=[NH2+])NCCc2ccccc2)CC1	ZINC000170911962	865016188	/nfs/dbraw/zinc/01/61/88/865016188.db2.gz	SZBYHMLIDBAVLR-UHFFFAOYSA-N	1	0	352.486	1.480	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@H]1OC	ZINC001212189243	865191007	/nfs/dbraw/zinc/19/10/07/865191007.db2.gz	ZMHNOKLEEJRAHE-WOJBJXKFSA-N	1	0	356.466	1.878	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cnc3cccnn32)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088905294	865359530	/nfs/dbraw/zinc/35/95/30/865359530.db2.gz	QFXXMYLKTAYNHI-PBHICJAKSA-N	1	0	360.421	1.994	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCCC(C)(C)C2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106875040	881863173	/nfs/dbraw/zinc/86/31/73/881863173.db2.gz	DRPXFPXRZSTXQL-IXDOHACOSA-N	1	0	362.518	1.917	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](C[C@@H](O)c3ccccc3)[C@@H]2C)nn1	ZINC001088910709	865396510	/nfs/dbraw/zinc/39/65/10/865396510.db2.gz	BYDRHQMMCGLDJF-HHXXYDBFSA-N	1	0	369.469	1.780	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)NCC(C)(C)N1CC[NH+](C)CC1	ZINC000669730813	865537628	/nfs/dbraw/zinc/53/76/28/865537628.db2.gz	GNYZXPNEXMBCEY-UHFFFAOYSA-N	1	0	372.513	1.886	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCc2ccccc2F)C[C@H]1OC	ZINC001212193135	865931934	/nfs/dbraw/zinc/93/19/34/865931934.db2.gz	AJRGFURNJPZQEA-ZHALLVOQSA-N	1	0	350.434	1.511	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)CC(F)(F)F)C[C@H]1C	ZINC001106887380	881935451	/nfs/dbraw/zinc/93/54/51/881935451.db2.gz	MEIZFSDWUDLKTL-MGPQQGTHSA-N	1	0	363.424	1.951	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1OC	ZINC001212194657	866181883	/nfs/dbraw/zinc/18/18/83/866181883.db2.gz	VWNVTNNRNMEBIO-UMVBOHGHSA-N	1	0	368.396	1.098	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)[C@H](OC)C2)cc1	ZINC000946769548	881984328	/nfs/dbraw/zinc/98/43/28/881984328.db2.gz	AMNFIGQOFHOGKI-KFKAGJAMSA-N	1	0	369.465	1.108	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1	ZINC000992029156	867263424	/nfs/dbraw/zinc/26/34/24/867263424.db2.gz	RQRBYQDPRZSOMG-BZSNNMDCSA-N	1	0	363.502	1.558	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)c2c[nH+]ccc2N(C)C)C1	ZINC000992030713	867274716	/nfs/dbraw/zinc/27/47/16/867274716.db2.gz	HYTDSLKGYAKBOZ-YOEHRIQHSA-N	1	0	358.442	1.069	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1	ZINC000992037390	867345184	/nfs/dbraw/zinc/34/51/84/867345184.db2.gz	DAKVTNNBZQTDHP-NJAFHUGGSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](OC)C1	ZINC000946777955	882082779	/nfs/dbraw/zinc/08/27/79/882082779.db2.gz	HMUWARANOOEDQQ-JXXFODFXSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)CC[C@@H]2C1	ZINC000946781945	882133309	/nfs/dbraw/zinc/13/33/09/882133309.db2.gz	JCFGLEDGJBQIMQ-QXSJWSMHSA-N	1	0	353.894	1.634	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000428786505	867923052	/nfs/dbraw/zinc/92/30/52/867923052.db2.gz	NULBDLYPYRMPGM-ALKREAHSSA-N	1	0	355.442	1.849	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)[C@H](C)C1	ZINC001106099536	868053734	/nfs/dbraw/zinc/05/37/34/868053734.db2.gz	LSXIAYJPHQDTFJ-IDHHARJASA-N	1	0	359.445	1.696	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)c1	ZINC001106100973	868087887	/nfs/dbraw/zinc/08/78/87/868087887.db2.gz	CIHLAZOFKVRRAP-VQIMIIECSA-N	1	0	363.461	1.704	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCCS(=O)(=O)C2)[C@H](C)C1	ZINC001106102406	868113158	/nfs/dbraw/zinc/11/31/58/868113158.db2.gz	QVBZFPKANPOGFS-BRWVUGGUSA-N	1	0	354.516	1.155	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)=C2CCC2)C[C@H]1C	ZINC001106102403	868113464	/nfs/dbraw/zinc/11/34/64/868113464.db2.gz	QRNPBVUIPRADNS-CRAIPNDOSA-N	1	0	360.502	1.933	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCc2ccccc2)[C@H](C)C1	ZINC001106104559	868131279	/nfs/dbraw/zinc/13/12/79/868131279.db2.gz	ACRCKINYQUTPKB-UYAOXDASSA-N	1	0	369.509	1.689	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)c2nccs2)[C@H](C)C1	ZINC001106105540	868139464	/nfs/dbraw/zinc/13/94/64/868139464.db2.gz	WMZDVEIXALHXEE-HUUCEWRRSA-N	1	0	362.499	1.449	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C[NH2+]CC(=O)NCc1cccnc1	ZINC001106106164	868170853	/nfs/dbraw/zinc/17/08/53/868170853.db2.gz	MADSHFLVJCNBIJ-SJLPKXTDSA-N	1	0	370.497	1.431	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2N(C)C)[C@H](C)C1	ZINC001106111213	868388331	/nfs/dbraw/zinc/38/83/31/868388331.db2.gz	ITTYJBZJEANCRV-ZIFCJYIRSA-N	1	0	357.498	1.975	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)NC)[C@H](C)C2)cc1	ZINC001106113788	868469897	/nfs/dbraw/zinc/46/98/97/868469897.db2.gz	LOBKCCOCZALWCU-SOLBZPMBSA-N	1	0	371.481	1.521	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CC(C)C)[C@H](C)C1	ZINC001106114696	868506443	/nfs/dbraw/zinc/50/64/43/868506443.db2.gz	GGMCLUCBLBONNG-IAGOWNOFSA-N	1	0	361.490	1.158	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1[N@H+](Cc1cc(C)ncn1)CC2	ZINC000992237925	868537756	/nfs/dbraw/zinc/53/77/56/868537756.db2.gz	BLVYZOZEPHGRRF-RMJJICAUSA-N	1	0	356.470	1.989	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1cc(C)ncn1)CC2	ZINC000992237924	868538103	/nfs/dbraw/zinc/53/81/03/868538103.db2.gz	BLVYZOZEPHGRRF-LXZJYRNTSA-N	1	0	356.470	1.989	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1cn(C)nc1C)CC2	ZINC000992243925	868564555	/nfs/dbraw/zinc/56/45/55/868564555.db2.gz	WWZLGPNSBMYSJS-LXZJYRNTSA-N	1	0	358.486	1.933	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CCCCCn2cncn2)[C@H](C)C1	ZINC001106116349	868573130	/nfs/dbraw/zinc/57/31/30/868573130.db2.gz	AVWGWDZBXIIPLD-FGTMMUONSA-N	1	0	361.490	1.171	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CCc2ccc(OC)cc2)[C@H](C)C1	ZINC001106116890	868581757	/nfs/dbraw/zinc/58/17/57/868581757.db2.gz	RNMORPDPJBJNQD-ZHALLVOQSA-N	1	0	358.482	1.960	20	30		FDEDRO
C=CCCOCCCCC(=O)N1C[C@@H](C[NH2+][C@H]2CCCNC2=O)[C@H](C)C1	ZINC001106122610	868873323	/nfs/dbraw/zinc/87/33/23/868873323.db2.gz	BKKOSPOQOYQXQL-KURKYZTESA-N	1	0	365.518	1.712	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@H]2CCc3ncnn32)C1	ZINC001112330336	868970269	/nfs/dbraw/zinc/97/02/69/868970269.db2.gz	HXCXMMVWTKLVRT-QKLQHJQFSA-N	1	0	355.486	1.787	20	30		FDEDRO
C[C@H](CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1)NC(N)=O	ZINC001106126759	868996728	/nfs/dbraw/zinc/99/67/28/868996728.db2.gz	UPUOJGLSKODTBC-CKEIUWERSA-N	1	0	357.458	1.189	20	30		FDEDRO
C#Cc1cncc(C(=O)NCC2CC(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)c1	ZINC000992383949	869179540	/nfs/dbraw/zinc/17/95/40/869179540.db2.gz	TYYLEHNGCJPATC-SOTJZCEJSA-N	1	0	368.481	1.418	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CCOc2ccccc2C)C[C@@H]1O	ZINC001083853197	882274383	/nfs/dbraw/zinc/27/43/83/882274383.db2.gz	HPWYVEVWNQNQNR-DMUMMCEESA-N	1	0	374.481	1.516	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCO[C@@](COC)(C(=O)OC(C)(C)C)C1	ZINC000913695711	869443973	/nfs/dbraw/zinc/44/39/73/869443973.db2.gz	NUYZIJOMTOQURC-SFHVURJKSA-N	1	0	356.463	1.080	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)NCc1c(I)cnn1C	ZINC000913782062	869620544	/nfs/dbraw/zinc/62/05/44/869620544.db2.gz	JCXJPESVUMTDNM-UHFFFAOYSA-N	1	0	362.215	1.149	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CN2C(=O)CC(C)(C)C2=O)C[C@H]1C	ZINC001106133466	870041842	/nfs/dbraw/zinc/04/18/42/870041842.db2.gz	JBYLYKZJVBCCOJ-DGCLKSJQSA-N	1	0	355.866	1.208	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)CC1	ZINC000913962900	870154352	/nfs/dbraw/zinc/15/43/52/870154352.db2.gz	LQYIEQZKCOCQPE-MRXNPFEDSA-N	1	0	361.467	1.302	20	30		FDEDRO
C[C@@H]1C[NH+](CCCNC(=O)N2C[C@H](C)N(CC#N)[C@@H](C)C2)C[C@@H](C)O1	ZINC000913988205	870240595	/nfs/dbraw/zinc/24/05/95/870240595.db2.gz	GYBHCFWPQBWYJP-MWDXBVQZSA-N	1	0	351.495	1.113	20	30		FDEDRO
C#CCN(C(=O)NC[C@@H](C(C)C)N1CCOCC1)C1CC[NH+](C)CC1	ZINC000913992916	870260655	/nfs/dbraw/zinc/26/06/55/870260655.db2.gz	LOZBIUYVZFHQPO-SFHVURJKSA-N	1	0	350.507	1.082	20	30		FDEDRO
C[C@H]1CN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)C[C@H](C)N1CC#N	ZINC000914026185	870382483	/nfs/dbraw/zinc/38/24/83/870382483.db2.gz	RTANRUQHNDIBKZ-IRXDYDNUSA-N	1	0	373.501	1.755	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2cccc(N3CCCC3=O)c2)CC1	ZINC000914119729	870901250	/nfs/dbraw/zinc/90/12/50/870901250.db2.gz	OETHBHZMMXZROQ-UHFFFAOYSA-N	1	0	354.454	1.710	20	30		FDEDRO
C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)Cc2csc(C#N)c2)CC1	ZINC000914155539	871140432	/nfs/dbraw/zinc/14/04/32/871140432.db2.gz	DWXMAVIKYJEEMA-ZDUSSCGKSA-N	1	0	371.528	1.474	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCNC(=O)C2CC2)[C@H](C)C1	ZINC001106146765	871402028	/nfs/dbraw/zinc/40/20/28/871402028.db2.gz	KRWRUZCCUVBRFW-DDBAPUKQSA-N	1	0	363.502	1.178	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3occc3c2)C[C@H]1C	ZINC001106158158	871487946	/nfs/dbraw/zinc/48/79/46/871487946.db2.gz	WQILIQYRCDGPPG-RHSMWYFYSA-N	1	0	353.422	1.480	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)OC)C2)CC1	ZINC000922048391	871525130	/nfs/dbraw/zinc/52/51/30/871525130.db2.gz	GCGSZUBATMXFTQ-LSDHHAIUSA-N	1	0	350.463	1.250	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(CC)ccn2)C[C@H]1C	ZINC001106167333	871525313	/nfs/dbraw/zinc/52/53/13/871525313.db2.gz	WMNWNAHSMUJKML-BFYDXBDKSA-N	1	0	358.486	1.632	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C1	ZINC001106175631	871580607	/nfs/dbraw/zinc/58/06/07/871580607.db2.gz	NYQKWHWGFJJUJA-NVXWUHKLSA-N	1	0	356.532	1.874	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)C(=C)Cl)C[C@H]1C	ZINC001106179472	871635109	/nfs/dbraw/zinc/63/51/09/871635109.db2.gz	RYZXTBFJAZODLV-UMVBOHGHSA-N	1	0	353.894	1.587	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]2C)nc1	ZINC000994390644	882532250	/nfs/dbraw/zinc/53/22/50/882532250.db2.gz	QJPOXHOMTCNHCK-JFIYKMOQSA-N	1	0	368.481	1.229	20	30		FDEDRO
COC(=O)c1cn(C2CC[NH+](CCCC3(C#N)CCOCC3)CC2)nn1	ZINC000499625144	872039524	/nfs/dbraw/zinc/03/95/24/872039524.db2.gz	KBBMBZBXVJMIOR-UHFFFAOYSA-N	1	0	361.446	1.802	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCC[C@@H]2CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1	ZINC001002974230	872086218	/nfs/dbraw/zinc/08/62/18/872086218.db2.gz	NBEMGJDOGCQTOU-ATZDWAIDSA-N	1	0	368.481	1.466	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@]3(C)C2)C1	ZINC000992815795	872470889	/nfs/dbraw/zinc/47/08/89/872470889.db2.gz	LUMGLQXHJNVRIT-NBQZKYEYSA-N	1	0	369.469	1.149	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCCc2nc(C)no2)C1	ZINC001033498580	882629494	/nfs/dbraw/zinc/62/94/94/882629494.db2.gz	ZKCLCAMWNKNPSS-BQFCYCMXSA-N	1	0	362.474	1.825	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC001003150925	872667683	/nfs/dbraw/zinc/66/76/83/872667683.db2.gz	MSGCUUYSFRPDOO-RYECPLHJSA-N	1	0	355.442	1.088	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2CCC)[C@H](OC)C1	ZINC001212506980	872937409	/nfs/dbraw/zinc/93/74/09/872937409.db2.gz	GXNKKWASTDECQW-NVXWUHKLSA-N	1	0	350.463	1.004	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2C(F)(F)F)[C@H](OC)C1	ZINC001212506931	872937507	/nfs/dbraw/zinc/93/75/07/872937507.db2.gz	DXKOQPLCMUMNPB-CHWSQXEVSA-N	1	0	360.380	1.834	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@H]2CCCO2)[C@H](C)C1	ZINC001106183975	873069947	/nfs/dbraw/zinc/06/99/47/873069947.db2.gz	XXEGDPIFWHYUPZ-BRWVUGGUSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCOC)[C@H](C)C1	ZINC001106183581	873075292	/nfs/dbraw/zinc/07/52/92/873075292.db2.gz	DVJKUEREVDXHQE-HZPDHXFCSA-N	1	0	353.507	1.426	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]3(C)C2)CC1	ZINC000992898710	873140403	/nfs/dbraw/zinc/14/04/03/873140403.db2.gz	MZTJXGXBIMOVNS-GHTZIAJQSA-N	1	0	357.498	1.439	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](F)C(C)C)CC1	ZINC001003362839	873215137	/nfs/dbraw/zinc/21/51/37/873215137.db2.gz	GMTLKLUXHIZESZ-BDXSIMOUSA-N	1	0	363.477	1.574	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C=C2CCC2)CC1	ZINC001003363474	873217150	/nfs/dbraw/zinc/21/71/50/873217150.db2.gz	PWFCLRKFLKNCOM-QRVBRYPASA-N	1	0	355.482	1.690	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CC2)[C@H](C)C1)OCC	ZINC001106197091	873424888	/nfs/dbraw/zinc/42/48/88/873424888.db2.gz	GBLPRPUSVBCRLS-KBAYOESNSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC2)[C@H](C)C1)OCC	ZINC001106197216	873453925	/nfs/dbraw/zinc/45/39/25/873453925.db2.gz	MAZITYKMWJJXHB-ZACQAIPSSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(C)C)[C@H](C)C1)OCC	ZINC001106198740	873599368	/nfs/dbraw/zinc/59/93/68/873599368.db2.gz	MCSFUPPEJGJFRQ-KZNAEPCWSA-N	1	0	367.534	1.814	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)CSC)C[C@@]3(C)C2)CC1	ZINC000993017025	873691487	/nfs/dbraw/zinc/69/14/87/873691487.db2.gz	AJLWBCUMXAWQFG-APWZRJJASA-N	1	0	363.527	1.002	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CCNC(=O)COC)C[C@H]1C	ZINC001106207432	873716862	/nfs/dbraw/zinc/71/68/62/873716862.db2.gz	BMVOHLQGYLYTKL-IAGOWNOFSA-N	1	0	353.507	1.570	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](N(C)c3ccc(C#N)nn3)C2)CC[N@@H+]1C	ZINC001061280924	873727120	/nfs/dbraw/zinc/72/71/20/873727120.db2.gz	JLUGRFPQNLOMMN-YESZJQIVSA-N	1	0	356.474	1.506	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+]([C@H]2CCN(C3CCC3)C2=O)CC1	ZINC001003651375	873924303	/nfs/dbraw/zinc/92/43/03/873924303.db2.gz	CNQXSDLPWMLFEX-SQNIBIBYSA-N	1	0	361.486	1.312	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2nn3c(c2C)OCCC3)C[C@H]1C	ZINC001106219247	873932127	/nfs/dbraw/zinc/93/21/27/873932127.db2.gz	DVQRXPQQODPOPL-GDBMZVCRSA-N	1	0	362.474	1.474	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC2(c3ccccc3)CC2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106225659	873969820	/nfs/dbraw/zinc/96/98/20/873969820.db2.gz	AVJXNVYTRNVVBH-IAGOWNOFSA-N	1	0	368.481	1.432	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3nnnn3C(C)C)[C@H](C)C2)CCC1	ZINC001106236422	874062835	/nfs/dbraw/zinc/06/28/35/874062835.db2.gz	OHVLADXICBRIIJ-HZPDHXFCSA-N	1	0	358.490	1.632	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCCCC3)[C@H](C)C2)CCC1	ZINC001106236576	874063086	/nfs/dbraw/zinc/06/30/86/874063086.db2.gz	VOCMCGWBVDGTQY-QZTJIDSGSA-N	1	0	359.514	1.877	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC2(C(F)(F)F)CC2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106244854	874094949	/nfs/dbraw/zinc/09/49/49/874094949.db2.gz	WFFIJAOZMMJXRE-VXGBXAGGSA-N	1	0	360.380	1.043	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)N(C)C)C[C@H]1C	ZINC001106245861	874101469	/nfs/dbraw/zinc/10/14/69/874101469.db2.gz	FMJNGDOFCQJICA-FVQBIDKESA-N	1	0	353.898	1.250	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2ccsc2)C[C@H]1C	ZINC001106252403	874145037	/nfs/dbraw/zinc/14/50/37/874145037.db2.gz	LFVGOQOEVWASBW-HLLBOEOZSA-N	1	0	361.511	1.503	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(F)ccc2F)C[C@H]1C	ZINC001106255538	874168389	/nfs/dbraw/zinc/16/83/89/874168389.db2.gz	XIFCQRYEYIVDBR-MGPQQGTHSA-N	1	0	365.424	1.953	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C[C@H]1C	ZINC001106269967	874295969	/nfs/dbraw/zinc/29/59/69/874295969.db2.gz	KZFIXDXLWBZVLD-BRSBDYLESA-N	1	0	358.486	1.595	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cncn3)cc2)C[C@H]1C	ZINC001106279090	874369346	/nfs/dbraw/zinc/36/93/46/874369346.db2.gz	XYMLYKGDKCSQIH-SJLPKXTDSA-N	1	0	369.469	1.768	20	30		FDEDRO
CCN(C(=O)Cn1cnc(C#N)n1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1	ZINC000495060041	874425186	/nfs/dbraw/zinc/42/51/86/874425186.db2.gz	PMGPVWLRBMTWCZ-NVXWUHKLSA-N	1	0	352.442	1.834	20	30		FDEDRO
C[C@H]1CC(N=Nc2ccccc2S(=O)(=O)N2CCOCC2)C[N@@H+]1C	ZINC000761811060	874520002	/nfs/dbraw/zinc/52/00/02/874520002.db2.gz	BWNMKEZTHANJQF-ZDUSSCGKSA-N	1	0	352.460	1.199	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C[C@H]1C	ZINC001106316229	874759187	/nfs/dbraw/zinc/75/91/87/874759187.db2.gz	KFWNNCLTWBHYJB-TUVASFSCSA-N	1	0	364.408	1.983	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106330158	874800688	/nfs/dbraw/zinc/80/06/88/874800688.db2.gz	SNJVDYGTQLHLJW-MISYRCLQSA-N	1	0	367.493	1.591	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]CCn3cncn3)[C@H](C)C2)cc1	ZINC001106330900	874802275	/nfs/dbraw/zinc/80/22/75/874802275.db2.gz	GYCGHUQLOIRTBN-SJLPKXTDSA-N	1	0	369.469	1.841	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CC2)[C@H](C)C1	ZINC001106331405	874804680	/nfs/dbraw/zinc/80/46/80/874804680.db2.gz	YGTYPFNBRZAYPJ-HZPDHXFCSA-N	1	0	371.481	1.828	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CCC(C)(F)F)C[C@H]2C)C1=O	ZINC001106335394	874809325	/nfs/dbraw/zinc/80/93/25/874809325.db2.gz	SLNHAAYUHCOVBO-KFWWJZLASA-N	1	0	357.445	1.893	20	30		FDEDRO
CCN1CCOC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1	ZINC001106351014	874872305	/nfs/dbraw/zinc/87/23/05/874872305.db2.gz	ZSYGYCGMJWYUQU-NRSPTQNISA-N	1	0	369.509	1.443	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106357131	874892977	/nfs/dbraw/zinc/89/29/77/874892977.db2.gz	UOAVUZUVTUALDN-GDBMZVCRSA-N	1	0	363.408	1.104	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2csc(NC(C)=O)n2)C[C@H]1C	ZINC001106366345	874921700	/nfs/dbraw/zinc/92/17/00/874921700.db2.gz	OXZZCKQPWRIPRE-TZMCWYRMSA-N	1	0	364.471	1.049	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(n2)OCCO3)C[C@H]1C	ZINC001106372596	874949582	/nfs/dbraw/zinc/94/95/82/874949582.db2.gz	AFRGOVSWBQWTMA-DGCLKSJQSA-N	1	0	351.834	1.903	20	30		FDEDRO
CCn1nc(C(C)C)cc1C(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1	ZINC001106368385	874952083	/nfs/dbraw/zinc/95/20/83/874952083.db2.gz	SQIHAYPHAWDULV-IAGOWNOFSA-N	1	0	360.502	1.974	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccnc3ccccc32)C[C@H]1C	ZINC001106390727	875051735	/nfs/dbraw/zinc/05/17/35/875051735.db2.gz	AEXYZJOUVHSVCH-HZPDHXFCSA-N	1	0	366.465	1.835	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H]3CN(C(=O)C[C@@H]4CC[N@@H+](C)C4)C[C@]3(C)C2)C1	ZINC000993156852	875090486	/nfs/dbraw/zinc/09/04/86/875090486.db2.gz	OCGODKPOUGERTE-XGHQBKJUSA-N	1	0	359.514	1.991	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nc(Cl)sc2C)C[C@H]1C	ZINC001106408072	875138365	/nfs/dbraw/zinc/13/83/65/875138365.db2.gz	OEEJNRVHUOGJMP-ZYHUDNBSSA-N	1	0	368.890	1.152	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nncc3ccccc32)C[C@H]1C	ZINC001106407532	875155771	/nfs/dbraw/zinc/15/57/71/875155771.db2.gz	BIBMRKRDPFBLJF-GDBMZVCRSA-N	1	0	367.453	1.230	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2ccc3n[nH]cc3c2)C[C@H]1C	ZINC001106417027	875211607	/nfs/dbraw/zinc/21/16/07/875211607.db2.gz	LSXMJZSNRQZCHZ-CRAIPNDOSA-N	1	0	354.454	1.439	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cncc(CC)c2)C[C@H]1C	ZINC001106432217	875266640	/nfs/dbraw/zinc/26/66/40/875266640.db2.gz	QJAUVZPYYUEKMN-RVKKMQEKSA-N	1	0	358.486	1.632	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc3ncccc3o2)C[C@H]1C	ZINC001106441079	875310955	/nfs/dbraw/zinc/31/09/55/875310955.db2.gz	SVSGAVZPIHTQFJ-QLFBSQMISA-N	1	0	368.437	1.263	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3c2O[C@H](C)C3)C[C@H]1C	ZINC001106444552	875326487	/nfs/dbraw/zinc/32/64/87/875326487.db2.gz	NFZWEWBBVFLCIT-BFYDXBDKSA-N	1	0	369.465	1.057	20	30		FDEDRO
CC(C)(C)NS(=O)(=O)c1ccc(N=NC2C[NH+]3CCC2CC3)nc1	ZINC000915050087	875333140	/nfs/dbraw/zinc/33/31/40/875333140.db2.gz	DNAWYUKXXQYFAZ-UHFFFAOYSA-N	1	0	351.476	1.652	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccnc3[nH]c(C)nc32)C[C@H]1C	ZINC001106459071	875435141	/nfs/dbraw/zinc/43/51/41/875435141.db2.gz	MRCMLPFVRQTNBT-UKRRQHHQSA-N	1	0	357.458	1.767	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@H]1C	ZINC001106465112	875505717	/nfs/dbraw/zinc/50/57/17/875505717.db2.gz	ILLOSMVINKAINN-IXPVHAAZSA-N	1	0	358.280	1.105	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2COCCN2CCCC)C[C@H]1C	ZINC001106479559	875604085	/nfs/dbraw/zinc/60/40/85/875604085.db2.gz	HHGLWOGOMNDMNI-DJIMGWMZSA-N	1	0	357.926	1.924	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2coc(OC)n2)C[C@H]1C	ZINC001106485838	875639774	/nfs/dbraw/zinc/63/97/74/875639774.db2.gz	HDUAIAVGOSRJQI-MWLCHTKSSA-N	1	0	358.236	1.890	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)CC1	ZINC000915172781	875669160	/nfs/dbraw/zinc/66/91/60/875669160.db2.gz	VYVCNRAHOYJPAC-SFHVURJKSA-N	1	0	354.454	1.184	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)c3cnco3)C[C@H]2C)c1	ZINC001106494308	875682156	/nfs/dbraw/zinc/68/21/56/875682156.db2.gz	NQRRIJRUPGSLTL-GDBMZVCRSA-N	1	0	366.421	1.592	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnco2)C[C@H]1C	ZINC001106495786	875713966	/nfs/dbraw/zinc/71/39/66/875713966.db2.gz	POPIJYZEVCWNOH-OWCLPIDISA-N	1	0	362.474	1.785	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cc3ccccc3o2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106501831	875728207	/nfs/dbraw/zinc/72/82/07/875728207.db2.gz	HJQRAAMLOFCSPM-GDBMZVCRSA-N	1	0	368.437	1.299	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(CCC)n[nH]2)C[C@H]1C	ZINC001106508361	875761519	/nfs/dbraw/zinc/76/15/19/875761519.db2.gz	DPJBWIIGGGOKNE-RBSFLKMASA-N	1	0	361.490	1.351	20	30		FDEDRO
COc1ccc([C@H](O)C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)cc1	ZINC000915225945	875792141	/nfs/dbraw/zinc/79/21/41/875792141.db2.gz	GXLAZRRUKTVULX-YLJYHZDGSA-N	1	0	356.422	1.824	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCCN2C(=O)CNC2=O)[C@H](C)C1	ZINC001106518335	875815767	/nfs/dbraw/zinc/81/57/67/875815767.db2.gz	LRIWFGNFLMPFKW-HUUCEWRRSA-N	1	0	364.490	1.215	20	30		FDEDRO
C[C@H](CC(N)=O)C(=O)N1C[C@@H](C[NH2+]Cc2cc(C#N)ccc2F)[C@H](C)C1	ZINC001106522178	875827371	/nfs/dbraw/zinc/82/73/71/875827371.db2.gz	GBXSTNFXLMTLES-XJKCOSOUSA-N	1	0	360.433	1.393	20	30		FDEDRO
C[C@@H](CC(N)=O)C(=O)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2C#N)[C@H](C)C1	ZINC001106522201	875827475	/nfs/dbraw/zinc/82/74/75/875827475.db2.gz	GSKDGKSYQDTODV-WOSRLPQWSA-N	1	0	360.433	1.393	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NCC(C)C)[C@H](C)C1	ZINC001106528553	875849082	/nfs/dbraw/zinc/84/90/82/875849082.db2.gz	CZOKBUIGYPZYRD-HUUCEWRRSA-N	1	0	366.506	1.365	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@H]2CCOC2)[C@H](C)C1	ZINC001106528466	875849090	/nfs/dbraw/zinc/84/90/90/875849090.db2.gz	ADIUQSLGISISLD-BZUAXINKSA-N	1	0	351.491	1.035	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]CCOCCNC(C)=O)[C@H](C)C1	ZINC001106559328	875966304	/nfs/dbraw/zinc/96/63/04/875966304.db2.gz	PGIVOPVXINMVDQ-SJLPKXTDSA-N	1	0	351.491	1.017	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)[C@H](C)CO3)C[C@H]1C	ZINC001106566246	875973095	/nfs/dbraw/zinc/97/30/95/875973095.db2.gz	BHUMRKCZKZYYSC-BFYDXBDKSA-N	1	0	371.481	1.782	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](C[NH2+]CCNS(=O)(=O)CC)[C@H](C)C1	ZINC001106567228	875976245	/nfs/dbraw/zinc/97/62/45/875976245.db2.gz	AOOICIRDXKHGJP-OWCLPIDISA-N	1	0	359.536	1.212	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106573078	875989920	/nfs/dbraw/zinc/98/99/20/875989920.db2.gz	NEWLZSIRSKHIAE-SZVBFZGTSA-N	1	0	371.456	1.482	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1C	ZINC001106575441	876004287	/nfs/dbraw/zinc/00/42/87/876004287.db2.gz	DURJNHXHKOQNAK-MGPQQGTHSA-N	1	0	357.445	1.797	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2occc2Cl)C[C@H]1C	ZINC001106634384	876289166	/nfs/dbraw/zinc/28/91/66/876289166.db2.gz	DHQCZTFISUCLSU-JHJVBQTASA-N	1	0	353.850	1.921	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]CCn3nc(C)nc3C)[C@H](C)C2)c1	ZINC001106650724	876387063	/nfs/dbraw/zinc/38/70/63/876387063.db2.gz	ADBXFJXLRUWFMK-AUUYWEPGSA-N	1	0	366.469	1.269	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+][C@H](CCCC)C(N)=O)[C@H](C)C2)c1	ZINC001106650481	876388224	/nfs/dbraw/zinc/38/82/24/876388224.db2.gz	PEMSALAJSHMOSG-ZTFGCOKTSA-N	1	0	356.470	1.405	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(F)c(COC)c2)C[C@H]1C	ZINC001106650405	876388406	/nfs/dbraw/zinc/38/84/06/876388406.db2.gz	MPZPDVRSHQZCAH-CRAIPNDOSA-N	1	0	362.445	1.920	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2cc(C)on2)C[C@H]1C	ZINC001106655873	876419555	/nfs/dbraw/zinc/41/95/55/876419555.db2.gz	GKVWARPXOIUXSR-FVQBIDKESA-N	1	0	362.474	1.290	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc[nH]c2C2CCC2)C[C@H]1C	ZINC001106663190	876439761	/nfs/dbraw/zinc/43/97/61/876439761.db2.gz	VHCIHZVJULXQNV-GDBMZVCRSA-N	1	0	356.470	1.329	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106661387	876461999	/nfs/dbraw/zinc/46/19/99/876461999.db2.gz	NKRXKHLQDXDSFY-BLIXFSHQSA-N	1	0	353.466	1.248	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C(C)C)cn2)C[C@H]1C	ZINC001106666331	876475340	/nfs/dbraw/zinc/47/53/40/876475340.db2.gz	KWBSNZRUNGUURF-JFIYKMOQSA-N	1	0	370.497	1.641	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)C[C@H]1C	ZINC001106693232	876572514	/nfs/dbraw/zinc/57/25/14/876572514.db2.gz	XHSVCDIUVYEMHW-VNHYZAJKSA-N	1	0	359.474	1.276	20	30		FDEDRO
CC[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1	ZINC001106691111	876585915	/nfs/dbraw/zinc/58/59/15/876585915.db2.gz	YQCJYVDNRUNVBF-NIKGAXFTSA-N	1	0	356.470	1.657	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(F)c(F)c(F)c2)C[C@H]1C	ZINC001106693167	876593874	/nfs/dbraw/zinc/59/38/74/876593874.db2.gz	TZUSXLSCAVHOFZ-DGCLKSJQSA-N	1	0	367.371	1.151	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(F)c2Cl)C[C@H]1C	ZINC001106696849	876596911	/nfs/dbraw/zinc/59/69/11/876596911.db2.gz	HQEXBFJUSSWYDB-CHWSQXEVSA-N	1	0	365.836	1.526	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2ccccc2C)C[C@H]1C	ZINC001106697477	876600549	/nfs/dbraw/zinc/60/05/49/876600549.db2.gz	ZYBSSUJUFDAWEK-IEBWSBKVSA-N	1	0	357.498	1.914	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)OCc2ccccc2)C[C@H]1C	ZINC001106708713	876917028	/nfs/dbraw/zinc/91/70/28/876917028.db2.gz	HPGQBSCITBCZQD-QWFCFKBJSA-N	1	0	358.482	1.926	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2Cc3cc(F)ccc3O2)C[C@H]1C	ZINC001106717883	876942153	/nfs/dbraw/zinc/94/21/53/876942153.db2.gz	QNGDSKLTNCHUMV-IDHHARJASA-N	1	0	360.429	1.463	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(Cl)cs2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106730915	877231931	/nfs/dbraw/zinc/23/19/31/877231931.db2.gz	WUBCAWJOIHPLBI-GHMZBOCLSA-N	1	0	354.863	1.339	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1	ZINC001003794994	877235893	/nfs/dbraw/zinc/23/58/93/877235893.db2.gz	CJWVAADHMYJQBW-DKIMLUQUSA-N	1	0	363.502	1.273	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@@](O)(/C=C\OCC)C(F)(F)F)CC1	ZINC000917137064	883109748	/nfs/dbraw/zinc/10/97/48/883109748.db2.gz	KIPCDRWQPUWMPZ-QARUFBMTSA-N	1	0	365.396	1.780	20	30		FDEDRO
Cc1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C)C#N)ccc2c[nH+]cn21	ZINC001003809545	877254864	/nfs/dbraw/zinc/25/48/64/877254864.db2.gz	YEDXEEIMGWYFGA-ZPUIDXCVSA-N	1	0	351.410	1.664	20	30		FDEDRO
N#CCOc1cccc(NC(=O)NCCCC[NH+]2CCC(C(N)=O)CC2)c1	ZINC000915710611	877258445	/nfs/dbraw/zinc/25/84/45/877258445.db2.gz	RLRNZTWYAIOZLU-UHFFFAOYSA-N	1	0	373.457	1.688	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2ccns2)[C@H](C)C1	ZINC001106734013	877287095	/nfs/dbraw/zinc/28/70/95/877287095.db2.gz	MMPVLBQMIXHFLW-UNEWFSDZSA-N	1	0	364.515	1.798	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]CC(=C)Br)[C@H](C)C2)nn1	ZINC001106744975	877451433	/nfs/dbraw/zinc/45/14/33/877451433.db2.gz	LTXYQICVUBTDKP-DGCLKSJQSA-N	1	0	368.279	1.670	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@]2(C)C1	ZINC000993345907	877456018	/nfs/dbraw/zinc/45/60/18/877456018.db2.gz	VERDMJLRCVTMFL-FRIZHTMISA-N	1	0	351.410	1.414	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]CCn3cccn3)[C@H](C)C2)nn1	ZINC001106750186	877508068	/nfs/dbraw/zinc/50/80/68/877508068.db2.gz	RIVSMBSEUGFEBV-HZPDHXFCSA-N	1	0	357.462	1.049	20	30		FDEDRO
C=CC1(CC(=O)N2C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C2)CCCCC1	ZINC001106753817	877561645	/nfs/dbraw/zinc/56/16/45/877561645.db2.gz	QMNNIDWJZFFBKU-HUUCEWRRSA-N	1	0	364.490	1.392	20	30		FDEDRO
COC(=O)c1cc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c[nH]1	ZINC000272569451	877932271	/nfs/dbraw/zinc/93/22/71/877932271.db2.gz	OJFBDOLLHDBZNY-MRXNPFEDSA-N	1	0	352.394	1.958	20	30		FDEDRO
CC(=O)c1ccc(C#N)c(N2CCN(c3ncnc4c3cnn4C)CC2)c1	ZINC000272591220	877983876	/nfs/dbraw/zinc/98/38/76/877983876.db2.gz	WKRBXKNGXHGGDG-UHFFFAOYSA-N	1	0	361.409	1.764	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2coc3ccccc23)C[C@H]1C	ZINC001106798500	878003959	/nfs/dbraw/zinc/00/39/59/878003959.db2.gz	IECMWZCSUOEVRY-NVXWUHKLSA-N	1	0	369.465	1.962	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@]3(C)C2)C1	ZINC000993436107	878173679	/nfs/dbraw/zinc/17/36/79/878173679.db2.gz	FJSDRBDUGUGSOG-DKICVRJWSA-N	1	0	369.469	1.149	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001106811890	878188243	/nfs/dbraw/zinc/18/82/43/878188243.db2.gz	UIVWPXLPPKTMLH-RDTXWAMCSA-N	1	0	354.454	1.269	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)cc1	ZINC000763235066	878282224	/nfs/dbraw/zinc/28/22/24/878282224.db2.gz	UOEWANAHBTZDPL-FQEVSTJZSA-N	1	0	365.433	1.854	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCO[C@@H]3C[N@H+](C[C@H]4CCCCO4)C[C@@H]32)cc1	ZINC001083160765	912340631	/nfs/dbraw/zinc/34/06/31/912340631.db2.gz	RYEQSTPQBVDQGJ-HSALFYBXSA-N	1	0	354.450	1.762	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1=O	ZINC000499935548	878616987	/nfs/dbraw/zinc/61/69/87/878616987.db2.gz	AFTUKDPDZLCXGV-CQSZACIVSA-N	1	0	374.397	1.612	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4cncn4)nc3)[C@H]2C1	ZINC001083158445	912395368	/nfs/dbraw/zinc/39/53/68/912395368.db2.gz	ZPFFDJDWLSBBLK-DLBZAZTESA-N	1	0	368.441	1.154	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)C2=O)cc1	ZINC000329766121	878943479	/nfs/dbraw/zinc/94/34/79/878943479.db2.gz	XSSYZWXCHJSMCS-MJGOQNOKSA-N	1	0	366.465	1.998	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)CC1	ZINC000922678176	878989900	/nfs/dbraw/zinc/98/99/00/878989900.db2.gz	CNHWJKZHKGDBMU-KGLIPLIRSA-N	1	0	352.479	1.685	20	30		FDEDRO
C[C@H](C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@@H]1O)[NH+]1CCCCCC1	ZINC001083831625	879137789	/nfs/dbraw/zinc/13/77/89/879137789.db2.gz	ULSYQXGQJWFTME-AHRSYUTCSA-N	1	0	370.497	1.484	20	30		FDEDRO
C[C@H](C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O)[NH+]1CCCCCC1	ZINC001083831633	879139541	/nfs/dbraw/zinc/13/95/41/879139541.db2.gz	UXCOSGMTNIVOQX-NRSPTQNISA-N	1	0	369.509	1.464	20	30		FDEDRO
C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C[C@H](C)N1CC#N	ZINC000922878691	879574871	/nfs/dbraw/zinc/57/48/71/879574871.db2.gz	RTHHCSQMBDTVOF-NBMJBFSESA-N	1	0	370.501	1.702	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)N2CCC([NH2+]C3CCOCC3)CC2)c1	ZINC000922883373	879595629	/nfs/dbraw/zinc/59/56/29/879595629.db2.gz	IUBRZIOZHKZXEN-UHFFFAOYSA-N	1	0	356.470	1.997	20	30		FDEDRO
C[NH+]=C(NCc1cccc(OC)n1)N1CCN(c2cccc(OC)c2)CC1	ZINC000073757622	879605103	/nfs/dbraw/zinc/60/51/03/879605103.db2.gz	GGRVADKUDSZNRQ-UHFFFAOYSA-N	1	0	369.469	1.996	20	30		FDEDRO
C[NH+]1CCN(C(=N)Nc2ncc(F)c(Oc3ccc(C#N)cc3)n2)CC1	ZINC001168737148	879770873	/nfs/dbraw/zinc/77/08/73/879770873.db2.gz	VWUXJUMDBOHHNS-UHFFFAOYSA-N	1	0	355.377	1.874	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)C(C)(C)n2cnc(C)c2)C1	ZINC001004523496	879789215	/nfs/dbraw/zinc/78/92/15/879789215.db2.gz	FSXXENOXGIBUEH-CVEARBPZSA-N	1	0	360.458	1.092	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC(=O)NC)CC1	ZINC001004576634	879888432	/nfs/dbraw/zinc/88/84/32/879888432.db2.gz	OVFLXYWPLSHXBC-LNLFQRSKSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)c3cc[nH]c3C)[C@H](C)C2)CC1	ZINC000993873648	879931394	/nfs/dbraw/zinc/93/13/94/879931394.db2.gz	BERXYNZPQQXWDK-CRAIPNDOSA-N	1	0	370.497	1.493	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)[C@H](C)C1	ZINC000993880967	879953445	/nfs/dbraw/zinc/95/34/45/879953445.db2.gz	WHSXCLVFPHCROB-KYJSFNMBSA-N	1	0	371.485	1.585	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@H]2OC)C1	ZINC000946635601	879958759	/nfs/dbraw/zinc/95/87/59/879958759.db2.gz	YCIIFKJETXJRNO-YLFCFFPRSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C3CC3)C[C@@H]2O)nn1	ZINC001083843615	879961583	/nfs/dbraw/zinc/96/15/83/879961583.db2.gz	QICGYQKBQFHCAA-MJGOQNOKSA-N	1	0	367.453	1.317	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3cc(C)ccc3C)C[C@@H]2O)nn1	ZINC001083843298	879972508	/nfs/dbraw/zinc/97/25/08/879972508.db2.gz	AMVWPTLOVRBOAH-WDYCEAGBSA-N	1	0	369.469	1.617	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC[C@@H]2C1	ZINC000946640893	879994034	/nfs/dbraw/zinc/99/40/34/879994034.db2.gz	WVDNWLJNKLEXMG-WCXIOVBPSA-N	1	0	355.910	1.628	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)[C@@H]3CC3(C)C)[C@H](C)C2)CC1	ZINC000993903199	880017300	/nfs/dbraw/zinc/01/73/00/880017300.db2.gz	PXUQFPDDLZHJCK-NXHRZFHOSA-N	1	0	359.514	1.588	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC000994002646	880371767	/nfs/dbraw/zinc/37/17/67/880371767.db2.gz	DHLKRQQNKVHJMU-KYJSFNMBSA-N	1	0	371.485	1.583	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)c3cc[nH]c3)[C@H](C)C2)CC1	ZINC000994124619	880705756	/nfs/dbraw/zinc/70/57/56/880705756.db2.gz	NIQJYICUJBERMV-CRAIPNDOSA-N	1	0	356.470	1.184	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)CC3(C)CC3)C[C@H]2C)CC1	ZINC000994136651	880896940	/nfs/dbraw/zinc/89/69/40/880896940.db2.gz	NMGQMBQQQQOAES-SJLPKXTDSA-N	1	0	359.514	1.733	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)CCC3CC3)C[C@H]2C)CC1	ZINC000994137318	880899552	/nfs/dbraw/zinc/89/95/52/880899552.db2.gz	UITFIKNLCYSLNM-VQIMIIECSA-N	1	0	359.514	1.733	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1	ZINC000994215569	881050731	/nfs/dbraw/zinc/05/07/31/881050731.db2.gz	ANDCZCAFKFCUKD-CZUORRHYSA-N	1	0	357.458	1.052	20	30		FDEDRO
C=CC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)C2	ZINC001004716601	881111659	/nfs/dbraw/zinc/11/16/59/881111659.db2.gz	DNVXMKVIMLCTTL-UFPLIBIVSA-N	1	0	373.497	1.310	20	30		FDEDRO
N#CCOc1cccc(C=NNC(=S)NCCCN2CCOCC2)c1	ZINC000915942397	881255929	/nfs/dbraw/zinc/25/59/29/881255929.db2.gz	MKMHFZBMEOBTLI-UHFFFAOYSA-N	1	0	361.471	1.109	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1	ZINC000999398157	912682606	/nfs/dbraw/zinc/68/26/06/912682606.db2.gz	QLTQRYIDUFOWCX-XCRHUMRWSA-N	1	0	361.417	1.582	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC[NH+](CC(=O)N(C)C2CC2)CC1	ZINC001005405275	883236509	/nfs/dbraw/zinc/23/65/09/883236509.db2.gz	BWLCFSOPVAQHGI-MSOLQXFVSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2cc(C)n(C)n2)[C@@H](n2ccnn2)C1	ZINC001128758592	883285937	/nfs/dbraw/zinc/28/59/37/883285937.db2.gz	QMXOQWXIWOYAQT-MSOLQXFVSA-N	1	0	371.489	1.722	20	30		FDEDRO
CCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1	ZINC001033952546	883570980	/nfs/dbraw/zinc/57/09/80/883570980.db2.gz	VZGOXUFRRVLSOZ-OKZBNKHCSA-N	1	0	370.453	1.014	20	30		FDEDRO
CCN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CC[N@H+](Cc2ccc(OC)c(C#N)c2)C1	ZINC001033960517	883629888	/nfs/dbraw/zinc/62/98/88/883629888.db2.gz	VUDIMZUXOWTTGI-ZACQAIPSSA-N	1	0	370.453	1.111	20	30		FDEDRO
Cc1ccc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@@H](C)C#N)[C@@H](n3ccnn3)C2)c1	ZINC001128826061	883748449	/nfs/dbraw/zinc/74/84/49/883748449.db2.gz	WKLAIJCOUGIMBO-JQHSSLGASA-N	1	0	352.442	1.596	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]CC(=O)N2CCCCCC2)C1	ZINC000999429336	912755362	/nfs/dbraw/zinc/75/53/62/912755362.db2.gz	ZTVXXUNWRHNTJT-HIEASXQVSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnnc(C)c2)[C@@H](n2ccnn2)C1	ZINC001128930745	884151720	/nfs/dbraw/zinc/15/17/20/884151720.db2.gz	ZPHCETLNPMKXKI-OIISXLGYSA-N	1	0	355.446	1.387	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2cccc(C(N)=O)c2)C1	ZINC001034404229	884317118	/nfs/dbraw/zinc/31/71/18/884317118.db2.gz	QEXXHHMOQSBRQM-OTWHNJEPSA-N	1	0	371.481	1.847	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](CC2CC(OCC)C2)C[C@@H]1O	ZINC001083999367	912815185	/nfs/dbraw/zinc/81/51/85/912815185.db2.gz	MDTZWOSLSZNBFA-AVMZVFHNSA-N	1	0	356.466	1.187	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cncnc2)[C@@H](n2ccnn2)C1	ZINC001128949280	884360196	/nfs/dbraw/zinc/36/01/96/884360196.db2.gz	KNHGHIQALMPKDD-OIISXLGYSA-N	1	0	355.446	1.007	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CCC2CCN(C(=O)[C@H]3CC[C@@H](C)O3)CC2)C1=O	ZINC001034574504	884526731	/nfs/dbraw/zinc/52/67/31/884526731.db2.gz	ZEKDWFVBNNAJPC-KBAYOESNSA-N	1	0	363.502	1.559	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCc3ccccc32)C[C@@H]1n1ccnn1	ZINC001128976363	884547216	/nfs/dbraw/zinc/54/72/16/884547216.db2.gz	RPUYXCKVCUWDQF-AQNXPRMDSA-N	1	0	363.465	1.967	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CCCCOCCC=C)[C@@H](n2ccnn2)C1	ZINC001128979983	884566693	/nfs/dbraw/zinc/56/66/93/884566693.db2.gz	IQOZRVWOOZZJTH-MSOLQXFVSA-N	1	0	359.474	1.406	20	30		FDEDRO
Cc1cc(CN2C[C@@H](NC(=O)C#CC3CC3)[C@@H](n3ccnn3)C2)cs1	ZINC001128985244	884724729	/nfs/dbraw/zinc/72/47/29/884724729.db2.gz	KHFKSVUXYVMRAD-SJORKVTESA-N	1	0	355.467	1.603	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC2)cc1	ZINC001034733130	884923689	/nfs/dbraw/zinc/92/36/89/884923689.db2.gz	PMQNKUDZCCTPTB-XLAORIBOSA-N	1	0	370.453	1.108	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)CC2)c(F)c1	ZINC001034735656	884928061	/nfs/dbraw/zinc/92/80/61/884928061.db2.gz	JORQIKBTMHRHAX-FPCVCCKLSA-N	1	0	358.417	1.336	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCc3ncnn32)CC1	ZINC001034739443	884934010	/nfs/dbraw/zinc/93/40/10/884934010.db2.gz	SDCWLRCMOZTAGF-VIQHNZTISA-N	1	0	359.474	1.374	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](CC/C=C\CCC)C[C@@H]1n1ccnn1	ZINC001128999006	884938577	/nfs/dbraw/zinc/93/85/77/884938577.db2.gz	MJOWOSBWWBAMNI-DFOOCIKTSA-N	1	0	359.474	1.406	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cn(C)nn2)CC1	ZINC001034753007	884963802	/nfs/dbraw/zinc/96/38/02/884963802.db2.gz	DSPWZQQOAOBDFQ-LAQRGFTBSA-N	1	0	361.490	1.703	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2conc2C)C3)CC1	ZINC001005691979	884969326	/nfs/dbraw/zinc/96/93/26/884969326.db2.gz	MZEVBFONIOXGHV-NXHRZFHOSA-N	1	0	370.453	1.190	20	30		FDEDRO
C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1	ZINC000918948169	885056238	/nfs/dbraw/zinc/05/62/38/885056238.db2.gz	XIOKHMNEJBAIRD-HNNXBMFYSA-N	1	0	357.863	1.289	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(C)nnc2C)[C@@H](n2ccnn2)C1	ZINC001129014966	885133592	/nfs/dbraw/zinc/13/35/92/885133592.db2.gz	VFDGSLABLZDWIS-QGTPRVQTSA-N	1	0	369.473	1.695	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCC(F)(F)C3)C[C@@H]2O)nc1	ZINC001083969521	912917313	/nfs/dbraw/zinc/91/73/13/912917313.db2.gz	GVGCRQJPVCAINR-OIISXLGYSA-N	1	0	363.408	1.663	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(C#N)cc2)O1	ZINC001034971001	885400443	/nfs/dbraw/zinc/40/04/43/885400443.db2.gz	AIJNCRQCSUTHGO-ATZDWAIDSA-N	1	0	356.470	1.358	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(C#N)c2)O1	ZINC001034971020	885400695	/nfs/dbraw/zinc/40/06/95/885400695.db2.gz	ASVHHUQDYBKKST-ATZDWAIDSA-N	1	0	356.470	1.358	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc2c(c1)nnn2C	ZINC001035053845	885560050	/nfs/dbraw/zinc/56/00/50/885560050.db2.gz	QGCIHRLHVBCSMC-MDZRGWNJSA-N	1	0	369.469	1.640	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C(N)=O)cc1	ZINC001035053593	885560599	/nfs/dbraw/zinc/56/05/99/885560599.db2.gz	CKIIPCLKAMCGIP-KURKYZTESA-N	1	0	357.454	1.457	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC[N@@H+]([C@H]3CCNC3=O)C2)CC1	ZINC001035186202	885697388	/nfs/dbraw/zinc/69/73/88/885697388.db2.gz	WEWMYJOAJPMYSY-IKGGRYGDSA-N	1	0	361.486	1.171	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)[C@@H](n2ccnn2)C1	ZINC001129103898	885703723	/nfs/dbraw/zinc/70/37/23/885703723.db2.gz	WEEIBQOXBPGIJB-MANSERQUSA-N	1	0	373.501	1.649	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C(=O)Nc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129089644	885716170	/nfs/dbraw/zinc/71/61/70/885716170.db2.gz	NECQLWPMGGFMHA-SJORKVTESA-N	1	0	368.441	1.225	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1n1ccnn1	ZINC001129127667	885820146	/nfs/dbraw/zinc/82/01/46/885820146.db2.gz	JPQNESGCMFVEAS-ZIFCJYIRSA-N	1	0	361.490	1.649	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC000999580692	912990536	/nfs/dbraw/zinc/99/05/36/912990536.db2.gz	SQVJJFRRRPQKGA-JQJKNKOQSA-N	1	0	369.469	1.478	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2ccco2)C3)CC1	ZINC000999640975	913033706	/nfs/dbraw/zinc/03/37/06/913033706.db2.gz	OVMRKIWJVMATHV-NEWSRXKRSA-N	1	0	369.465	1.415	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC3CCC3)[C@H](C)C2)nc1	ZINC001106898197	886386612	/nfs/dbraw/zinc/38/66/12/886386612.db2.gz	XPHILQNUEZTXRE-CRAIPNDOSA-N	1	0	368.481	1.277	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CN([C@@H](C)c3nnc(C)o3)C2)CC1	ZINC001035800332	886481085	/nfs/dbraw/zinc/48/10/85/886481085.db2.gz	BZPBEOSHQYHQEL-IMJJTQAJSA-N	1	0	360.458	1.955	20	30		FDEDRO
COCC[C@H](c1ccccc1)[N@@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1	ZINC001212246704	886669325	/nfs/dbraw/zinc/66/93/25/886669325.db2.gz	ZIWILRBERKZHEX-VAMGGRTRSA-N	1	0	356.466	1.993	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2C[N@@H+](CCCOCC)C[C@@H]2n2ccnn2)CC1	ZINC001129228162	886702730	/nfs/dbraw/zinc/70/27/30/886702730.db2.gz	GLYPHBOCRVUMDL-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CN(C)c3ccncc3C#N)C2)CC[N@@H+]1C	ZINC001062184942	886953627	/nfs/dbraw/zinc/95/36/27/886953627.db2.gz	DAPXXFIDVIQZPV-BPQIPLTHSA-N	1	0	355.486	1.968	20	30		FDEDRO
C=CCOCC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001062241420	887003479	/nfs/dbraw/zinc/00/34/79/887003479.db2.gz	OFLUVSXTXDGXJN-IXDOHACOSA-N	1	0	351.491	1.417	20	30		FDEDRO
C[NH+](C)CCn1ccc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)n1	ZINC000376155715	887257543	/nfs/dbraw/zinc/25/75/43/887257543.db2.gz	FNPHZVBNDFWCBP-OAHLLOKOSA-N	1	0	370.432	1.920	20	30		FDEDRO
C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)NCC[NH2+]Cc1cccc(C#N)c1	ZINC001127547671	887258744	/nfs/dbraw/zinc/25/87/44/887258744.db2.gz	QSWVXJONXDBUDL-VQIMIIECSA-N	1	0	363.465	1.932	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN([C@H]2CCN(C3CCC3)C2=O)C1	ZINC001031680759	887357300	/nfs/dbraw/zinc/35/73/00/887357300.db2.gz	PPEMJNRVMUFOQY-SQNIBIBYSA-N	1	0	361.486	1.169	20	30		FDEDRO
CO[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1NC(=O)C#CC1CC1	ZINC001212253359	887578082	/nfs/dbraw/zinc/57/80/82/887578082.db2.gz	CSGQUWVIJJGDFY-WOJBJXKFSA-N	1	0	364.449	1.601	20	30		FDEDRO
Cc1cc(C#N)nc(NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)n1	ZINC000413567301	887842310	/nfs/dbraw/zinc/84/23/10/887842310.db2.gz	ASABOSBCWDPKGM-UHFFFAOYSA-N	1	0	364.453	1.966	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1)C1CC[NH+](C)CC1	ZINC000921487250	888024533	/nfs/dbraw/zinc/02/45/33/888024533.db2.gz	GADISLVUNIENGS-KRWDZBQOSA-N	1	0	360.502	1.517	20	30		FDEDRO
C#CCCN1CCN(C(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)CC1	ZINC000064442757	888119078	/nfs/dbraw/zinc/11/90/78/888119078.db2.gz	LXJSUEIQLNYLOR-UHFFFAOYSA-N	1	0	371.525	1.877	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(COC)cc2)C[C@H]1OC	ZINC001212262127	888147173	/nfs/dbraw/zinc/14/71/73/888147173.db2.gz	CLXGHYXABLWCKV-RTBURBONSA-N	1	0	360.454	1.188	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)C[C@H]1OC	ZINC001212262495	888164705	/nfs/dbraw/zinc/16/47/05/888164705.db2.gz	QBOGIOFLORXZKE-IEBWSBKVSA-N	1	0	356.422	1.788	20	30		FDEDRO
Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)nn1CCC#N	ZINC000372383391	888374401	/nfs/dbraw/zinc/37/44/01/888374401.db2.gz	BRYFQLREPSNYFJ-WMZOPIPTSA-N	1	0	367.457	2.315	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1OC	ZINC001212267985	888552034	/nfs/dbraw/zinc/55/20/34/888552034.db2.gz	LESFQQKQYLCRAS-RTBURBONSA-N	1	0	368.518	1.991	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)C[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000938419746	888578576	/nfs/dbraw/zinc/57/85/76/888578576.db2.gz	DLARVOAVWHPYIG-FHWLQOOXSA-N	1	0	357.498	1.485	20	30		FDEDRO
C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1	ZINC001005998063	888604325	/nfs/dbraw/zinc/60/43/25/888604325.db2.gz	RTLHTPUNZVMIGG-ZWKOTPCHSA-N	1	0	363.502	1.655	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CCCc3cccc(F)c3)C[C@@H]2O)c1	ZINC001083764901	888904135	/nfs/dbraw/zinc/90/41/35/888904135.db2.gz	CSQKHAZUDMUKNO-UXHICEINSA-N	1	0	367.424	1.610	20	30		FDEDRO
COc1cc(OCC[NH+](C)C)ccc1NC(=O)CNc1ccc(C#N)cn1	ZINC000413939504	888932625	/nfs/dbraw/zinc/93/26/25/888932625.db2.gz	PCAMBYWMPDKJJC-UHFFFAOYSA-N	1	0	369.425	1.953	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC000946892044	888950022	/nfs/dbraw/zinc/95/00/22/888950022.db2.gz	QUXUVDKIJDGUMH-BGTYHANMSA-N	1	0	363.502	1.415	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1	ZINC000462016310	889032415	/nfs/dbraw/zinc/03/24/15/889032415.db2.gz	NBZSCJTXPISQIN-WFASDCNBSA-N	1	0	353.430	1.861	20	30		FDEDRO
C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1	ZINC001089709231	889275697	/nfs/dbraw/zinc/27/56/97/889275697.db2.gz	QBVXZDBWCBPZND-FGTMMUONSA-N	1	0	358.486	1.528	20	30		FDEDRO
C#Cc1ccc(C(=O)NC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)nc1	ZINC000946907870	889408639	/nfs/dbraw/zinc/40/86/39/889408639.db2.gz	QQTVHWQIVRLOBM-RHSMWYFYSA-N	1	0	354.454	1.124	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N[C@@H]1C[C@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O	ZINC000923487827	889415412	/nfs/dbraw/zinc/41/54/12/889415412.db2.gz	NYFARCBQUSXRKR-VYIWNADRSA-N	1	0	351.491	1.194	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)CC1	ZINC000923479527	889416475	/nfs/dbraw/zinc/41/64/75/889416475.db2.gz	KHTFOCWHEGLRNG-ZBFHGGJFSA-N	1	0	364.490	1.781	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1	ZINC000938897876	889514443	/nfs/dbraw/zinc/51/44/43/889514443.db2.gz	FADZWHICUMRONK-ZACQAIPSSA-N	1	0	361.486	1.265	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC[NH+]([C@@H]2CCN(CC)C2=O)CC1	ZINC001006122552	889561818	/nfs/dbraw/zinc/56/18/18/889561818.db2.gz	HDSDXARNJOHXOD-KSZLIROESA-N	1	0	363.502	1.511	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)Cc2nn(C)c3ccccc23)[C@H](OC)C1	ZINC001212287207	889581456	/nfs/dbraw/zinc/58/14/56/889581456.db2.gz	OSHSINXOFWSKHE-IEBWSBKVSA-N	1	0	356.470	1.897	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)[C@H](OC)C1	ZINC001212293561	889824615	/nfs/dbraw/zinc/82/46/15/889824615.db2.gz	XJSYBVMVAYVPLQ-QBPKDAKJSA-N	1	0	351.491	1.463	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)Cc2ccc(NC(=O)NCCC)cc2)C1	ZINC000923582030	889971064	/nfs/dbraw/zinc/97/10/64/889971064.db2.gz	GTIDCUJSEXEPFL-SFHVURJKSA-N	1	0	356.470	1.974	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2nnn(C(C)(C)C)n2)[C@H](OC)C1	ZINC001212301385	889982222	/nfs/dbraw/zinc/98/22/22/889982222.db2.gz	PIMYMKCVNIXCIV-HUUCEWRRSA-N	1	0	364.494	1.604	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2ccc3occc3c2)[C@H](OC)C1	ZINC001212304453	889996826	/nfs/dbraw/zinc/99/68/26/889996826.db2.gz	XYKOIYSNKGTADY-MZMPZRCHSA-N	1	0	371.437	1.553	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC001006173962	890025590	/nfs/dbraw/zinc/02/55/90/890025590.db2.gz	FBMKOGSPFSKDLV-YLQAJVPDSA-N	1	0	357.458	1.193	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)COc2cccc(OC)c2)[C@@H](n2ccnn2)C1	ZINC001129284124	890032653	/nfs/dbraw/zinc/03/26/53/890032653.db2.gz	ILADUXFOIQIMCU-MSOLQXFVSA-N	1	0	371.441	1.283	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2ccnc2)[C@@H](n2ccnn2)C1	ZINC001129288628	890074416	/nfs/dbraw/zinc/07/44/16/890074416.db2.gz	GKDIJLIEJLYNKC-BBWFWOEESA-N	1	0	357.462	1.434	20	30		FDEDRO
CCCCCCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC)[C@H](C)C1	ZINC001106912814	890159342	/nfs/dbraw/zinc/15/93/42/890159342.db2.gz	WUNZJVPPLSYYHW-HZPDHXFCSA-N	1	0	368.522	1.877	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@@H](N(CC)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001063147061	890245611	/nfs/dbraw/zinc/24/56/11/890245611.db2.gz	YVCHNURIZOUCHZ-DJIMGWMZSA-N	1	0	370.501	1.678	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(NC(=O)C[NH+](CC)CC)CCC1	ZINC001063205767	890297553	/nfs/dbraw/zinc/29/75/53/890297553.db2.gz	QOXQIPVICWIYKM-RDJZCZTQSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(NC(=O)C[C@H]2CC[N@@H+](C)C2)CCC1	ZINC001063214946	890340797	/nfs/dbraw/zinc/34/07/97/890340797.db2.gz	YNCDHDDZTRBNAN-ZACQAIPSSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCn1cccc1C(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1	ZINC001063224940	890343162	/nfs/dbraw/zinc/34/31/62/890343162.db2.gz	XRZRMSJNEPJGDX-HZPDHXFCSA-N	1	0	358.486	1.783	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)CN1CC[N@H+](CC(C)(C)O)[C@@H](C)C1	ZINC000249397271	890345856	/nfs/dbraw/zinc/34/58/56/890345856.db2.gz	RXYWQFHMHOUFKN-PKOBYXMFSA-N	1	0	362.514	1.932	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1CN([C@H]2CCN(C(C)C)C2=O)C[C@H]1OC	ZINC001212340250	890436630	/nfs/dbraw/zinc/43/66/30/890436630.db2.gz	IDAHRRAZJAORGI-OWCLPIDISA-N	1	0	351.491	1.413	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC(CCNc3ccnc(C#N)n3)CC2)CC[N@@H+]1C	ZINC001063341837	890467582	/nfs/dbraw/zinc/46/75/82/890467582.db2.gz	WVOTXGNHWAUTHO-DLBZAZTESA-N	1	0	370.501	1.541	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC([C@H](C)NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cc1	ZINC001006179939	890521933	/nfs/dbraw/zinc/52/19/33/890521933.db2.gz	RFJIFJPEHUKWDQ-RYGJVYDSSA-N	1	0	367.493	1.975	20	30		FDEDRO
COc1cc2c(cc1OC)CN(C(=O)CCCNC(=[NH2+])N(C)C1CC1)CC2	ZINC000181478695	890776693	/nfs/dbraw/zinc/77/66/93/890776693.db2.gz	KEQQBHNJQFNHEC-UHFFFAOYSA-N	1	0	374.485	1.778	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC[NH+]([C@@H]2CCN(CC)C2=O)CC1	ZINC001001930693	891635942	/nfs/dbraw/zinc/63/59/42/891635942.db2.gz	JAKHGDONXUKDJH-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3ccc(C)cc3)C2)CC1	ZINC000940088647	891782139	/nfs/dbraw/zinc/78/21/39/891782139.db2.gz	LIPWYEOSDLPRCJ-YLJYHZDGSA-N	1	0	367.493	1.917	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(C#N)[nH]2)C3)C1	ZINC001002085802	891939640	/nfs/dbraw/zinc/93/96/40/891939640.db2.gz	LXTYMBZZAYWETR-OIISXLGYSA-N	1	0	369.469	1.480	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc3c[nH+]cn3c2)c[nH]1	ZINC001002140979	892028413	/nfs/dbraw/zinc/02/84/13/892028413.db2.gz	HLLLHRPEFACCQG-NXHRZFHOSA-N	1	0	374.404	1.710	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)CC[NH+]2CCCCC2)C1	ZINC001002220362	892253258	/nfs/dbraw/zinc/25/32/58/892253258.db2.gz	YZQVVQQLBKVJSC-MSOLQXFVSA-N	1	0	363.502	1.418	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]CCn2cncn2)[C@H](C)C1	ZINC001106922972	892599217	/nfs/dbraw/zinc/59/92/17/892599217.db2.gz	VPVCVRKAUIZFMI-VQIMIIECSA-N	1	0	351.454	1.186	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(C)nc1OC)C2	ZINC001112541413	892622764	/nfs/dbraw/zinc/62/27/64/892622764.db2.gz	WAIBNRNLMIVODE-UWJYYQICSA-N	1	0	371.481	1.880	20	30		FDEDRO
C#CCN(C(=O)NCc1ccc(N2CCOC2=O)cc1)C1CC[NH+](C)CC1	ZINC000921903253	892674355	/nfs/dbraw/zinc/67/43/55/892674355.db2.gz	NRQNTFMBVADRHN-UHFFFAOYSA-N	1	0	370.453	1.882	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccccc2OCC)C[C@H]1C	ZINC001106939677	893104846	/nfs/dbraw/zinc/10/48/46/893104846.db2.gz	GOCNZMRSCWOYSI-BRWVUGGUSA-N	1	0	371.481	1.521	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CN(C)C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC001002554779	893198064	/nfs/dbraw/zinc/19/80/64/893198064.db2.gz	FXUMIZJTPSFRIK-XOKHGSTOSA-N	1	0	357.458	1.290	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CN(C)C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC001002556917	893208202	/nfs/dbraw/zinc/20/82/02/893208202.db2.gz	OTLKHTMZKQLPOC-SOLBZPMBSA-N	1	0	371.485	1.680	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1	ZINC000941053521	893751565	/nfs/dbraw/zinc/75/15/65/893751565.db2.gz	WLUPLJGAIFXMBS-KURKYZTESA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1	ZINC000941103010	893858142	/nfs/dbraw/zinc/85/81/42/893858142.db2.gz	LTQSQOFEAJPHDS-SQNIBIBYSA-N	1	0	363.502	1.370	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2sccc2C2CC2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106952779	894331053	/nfs/dbraw/zinc/33/10/53/894331053.db2.gz	ZUIFKPJLMVBKTB-TZMCWYRMSA-N	1	0	360.483	1.563	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000672637345	894346081	/nfs/dbraw/zinc/34/60/81/894346081.db2.gz	FGRQGNCNYNXGNJ-CVEARBPZSA-N	1	0	350.507	1.132	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c(C#N)c1	ZINC001212471073	894670529	/nfs/dbraw/zinc/67/05/29/894670529.db2.gz	SUKOVTBEVOSSBI-HNNXBMFYSA-N	1	0	352.504	1.417	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(F)cc(F)c2)C[C@H]1C	ZINC001106954702	894701260	/nfs/dbraw/zinc/70/12/60/894701260.db2.gz	ITHFKIYAHLDNAN-UMVBOHGHSA-N	1	0	363.408	1.400	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C2C[NH+](CC3CC(C)(C)C3)C2)CC1	ZINC000941574494	895293452	/nfs/dbraw/zinc/29/34/52/895293452.db2.gz	FWHDOTXVXLJPRN-MOPGFXCFSA-N	1	0	361.530	1.842	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H](OC)C1	ZINC000941780761	895678734	/nfs/dbraw/zinc/67/87/34/895678734.db2.gz	ZVHXPMYFISAVTC-BRWVUGGUSA-N	1	0	365.518	1.805	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nc1	ZINC000941882099	895919198	/nfs/dbraw/zinc/91/91/98/895919198.db2.gz	QBRIAXAIINCUOX-SOLBZPMBSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2sc(C)nc2C)C[C@H]1C	ZINC001106962206	895982540	/nfs/dbraw/zinc/98/25/40/895982540.db2.gz	COHNFQOCGYWCSU-BXUZGUMPSA-N	1	0	350.488	1.360	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1	ZINC000941994512	896112995	/nfs/dbraw/zinc/11/29/95/896112995.db2.gz	GLHGLNGKLZDPJE-IKGGRYGDSA-N	1	0	363.502	1.559	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(F)cc2)C[C@H]1C	ZINC001106963952	896120672	/nfs/dbraw/zinc/12/06/72/896120672.db2.gz	SUKGGEOIEVAXLY-BRWVUGGUSA-N	1	0	362.445	1.927	20	30		FDEDRO
Cc1c[nH]nc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21	ZINC001084332579	914051195	/nfs/dbraw/zinc/05/11/95/914051195.db2.gz	KHZYSJMUUDSCEH-SJLPKXTDSA-N	1	0	365.437	1.967	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCc3ccccc32)CC1	ZINC000671092193	896426007	/nfs/dbraw/zinc/42/60/07/896426007.db2.gz	JEHDGUONXNQODX-KRWDZBQOSA-N	1	0	355.482	1.989	20	30		FDEDRO
CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1ccccc1C[NH+](C)C	ZINC000942131257	896437313	/nfs/dbraw/zinc/43/73/13/896437313.db2.gz	RYFXVSXUYSBBSU-RTBURBONSA-N	1	0	369.465	1.117	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCc1cn([C@@H]2CC[N@@H+](CC#CC)C2)nn1	ZINC000999986764	896518489	/nfs/dbraw/zinc/51/84/89/896518489.db2.gz	KHNJKACYFPYWPH-KURKYZTESA-N	1	0	357.458	1.146	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3OCC[C@H]3C(C)C)nn2)C1	ZINC000999988702	896522323	/nfs/dbraw/zinc/52/23/23/896522323.db2.gz	XMEKTYLZCPVURY-BZSNNMDCSA-N	1	0	359.474	1.226	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3OCC[C@H]3C(C)C)nn2)C1	ZINC000999988909	896524356	/nfs/dbraw/zinc/52/43/56/896524356.db2.gz	YYNBWAHOIODNMJ-BZSNNMDCSA-N	1	0	361.490	1.778	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)nn2)C1	ZINC000999995816	896541551	/nfs/dbraw/zinc/54/15/51/896541551.db2.gz	HYTPXWFUDFTVRC-BRWVUGGUSA-N	1	0	369.473	1.634	20	30		FDEDRO
C#CC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)n1	ZINC001128106738	896953863	/nfs/dbraw/zinc/95/38/63/896953863.db2.gz	DSWXERGMOAEGQL-BRWVUGGUSA-N	1	0	364.453	1.026	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C	ZINC001212430292	897000038	/nfs/dbraw/zinc/00/00/38/897000038.db2.gz	IBIUVTPEWGEVGV-VAMGGRTRSA-N	1	0	370.497	1.748	20	30		FDEDRO
CC#CC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@H]3OCC[C@H]3C)C2)n1	ZINC001128117705	897297822	/nfs/dbraw/zinc/29/78/22/897297822.db2.gz	HZBKPFHRHFAENN-AYBZRNKSSA-N	1	0	356.470	1.314	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC2(CCOCC2)C1	ZINC001089959672	897327480	/nfs/dbraw/zinc/32/74/80/897327480.db2.gz	QIFRMFNHSZUOPB-IXDOHACOSA-N	1	0	363.502	1.274	20	30		FDEDRO
C#CCC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@@H]3C[C@H]3C3CC3)C2)n1	ZINC001128126021	897383863	/nfs/dbraw/zinc/38/38/63/897383863.db2.gz	JGRJSGPUZCFKKU-GBESFXJTSA-N	1	0	352.482	1.936	20	30		FDEDRO
C#CCC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@H]3CC[C@@H](C)O3)C2)n1	ZINC001128132671	897425077	/nfs/dbraw/zinc/42/50/77/897425077.db2.gz	JKYAYTMMLNZGLY-KBAYOESNSA-N	1	0	356.470	1.457	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1N(C(=O)c1c[nH]c(C#N)c1)CC2	ZINC000995259779	897551391	/nfs/dbraw/zinc/55/13/91/897551391.db2.gz	HAGUMQHMOVYKKM-MBOZVWFJSA-N	1	0	369.469	1.482	20	30		FDEDRO
C=C(Br)CN1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1	ZINC001084355803	914172981	/nfs/dbraw/zinc/17/29/81/914172981.db2.gz	JFLRDASMLGDUKL-KBUPBQIOSA-N	1	0	356.308	1.768	20	30		FDEDRO
N#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21	ZINC001168662339	897631149	/nfs/dbraw/zinc/63/11/49/897631149.db2.gz	SPOPVIUROGZAIA-RBUKOAKNSA-N	1	0	364.449	1.679	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1	ZINC000921759188	897723833	/nfs/dbraw/zinc/72/38/33/897723833.db2.gz	QPIKVLKPQAGZMG-GOSISDBHSA-N	1	0	356.470	1.198	20	30		FDEDRO
C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC001108029405	897979952	/nfs/dbraw/zinc/97/99/52/897979952.db2.gz	VPMQPYQOZRBOIT-VNHYZAJKSA-N	1	0	366.380	1.116	20	30		FDEDRO
C#Cc1ccc(C(=O)N(CC)[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC000942893773	898046124	/nfs/dbraw/zinc/04/61/24/898046124.db2.gz	OQBBJXYBZDLZOH-BPQIPLTHSA-N	1	0	368.481	1.466	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C)c(F)c(C)c2)C[C@H]1C	ZINC001106993878	898208629	/nfs/dbraw/zinc/20/86/29/898208629.db2.gz	XDKPGTASAXZDDV-NVXWUHKLSA-N	1	0	359.445	1.490	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2conc2C)C1	ZINC001078402690	898735193	/nfs/dbraw/zinc/73/51/93/898735193.db2.gz	VIJFBVMAGABKSC-KURKYZTESA-N	1	0	363.458	1.671	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@]34C[C@H]3COC4)CCCO2)s1	ZINC001078403939	898740871	/nfs/dbraw/zinc/74/08/71/898740871.db2.gz	MXBVRUBSNPVZRG-IYOUNJFTSA-N	1	0	361.467	1.363	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cncc(F)c2)C1	ZINC001078471857	898799907	/nfs/dbraw/zinc/79/99/07/898799907.db2.gz	HAJUUTJWQZPKGI-KURKYZTESA-N	1	0	363.433	1.519	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cnc(C)o2)C1	ZINC001078484527	898835927	/nfs/dbraw/zinc/83/59/27/898835927.db2.gz	LYMPPVSGBUTQLR-BZSNNMDCSA-N	1	0	363.458	1.671	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@]2(CNC(=O)c3c[nH+]ccc3N(C)C)CCC[C@@H]12	ZINC000995348913	898858212	/nfs/dbraw/zinc/85/82/12/898858212.db2.gz	WVAWGLYZVAGOCY-WIBUTAKZSA-N	1	0	369.469	1.808	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CC[NH+]1CCCCC1	ZINC001078537840	898907101	/nfs/dbraw/zinc/90/71/01/898907101.db2.gz	CMYOUGFNSSWVKG-BBWFWOEESA-N	1	0	351.491	1.465	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(C)C(=O)CSCC#N)CC2)CC[N@@H+]1C	ZINC001078836938	899062248	/nfs/dbraw/zinc/06/22/48/899062248.db2.gz	UZCVRZOZSPMSFI-BZUAXINKSA-N	1	0	366.531	1.423	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](OC)C1	ZINC000943601095	899075752	/nfs/dbraw/zinc/07/57/52/899075752.db2.gz	KDOWAYOEELIYNV-RBSFLKMASA-N	1	0	371.909	1.449	20	30		FDEDRO
CC#CC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1	ZINC001001827176	899469382	/nfs/dbraw/zinc/46/93/82/899469382.db2.gz	DVFYOHSCMMUONC-ZWKOTPCHSA-N	1	0	361.486	1.008	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2Cc3cc(C)c(C)cc3O2)C[C@H]1C	ZINC001107009416	899513987	/nfs/dbraw/zinc/51/39/87/899513987.db2.gz	RQTBSXKPKTWZFT-YFVAEKQCSA-N	1	0	370.493	1.941	20	30		FDEDRO
Cc1ccccc1[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001107016965	899552432	/nfs/dbraw/zinc/55/24/32/899552432.db2.gz	JPRMGZJZUJRXRA-IXDOHACOSA-N	1	0	356.470	1.422	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)Cn2c(C)c(C)sc2=O)C[C@H]1C	ZINC001107035363	899986382	/nfs/dbraw/zinc/98/63/82/899986382.db2.gz	DGIHQILQYHMCRU-QMTHXVAHSA-N	1	0	357.907	1.963	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@@H](C)CC)[C@H](C)C1	ZINC001107036859	900035334	/nfs/dbraw/zinc/03/53/34/900035334.db2.gz	TYIMDTPSZBWQNY-ARFHVFGLSA-N	1	0	352.523	1.980	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](c2cccnc2)N(C)C)C[C@H]1C	ZINC001107044455	900083056	/nfs/dbraw/zinc/08/30/56/900083056.db2.gz	BQLORINPQHUXKH-QRQLOZEOSA-N	1	0	358.486	1.018	20	30		FDEDRO
Cc1ccccc1C[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001107052095	900145939	/nfs/dbraw/zinc/14/59/39/900145939.db2.gz	YVVAOLJJKYZHHD-YQVWRLOYSA-N	1	0	370.497	1.498	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2OC)cc1	ZINC000944336656	900169832	/nfs/dbraw/zinc/16/98/32/900169832.db2.gz	DQLJAKDUPVGWSV-QRVBRYPASA-N	1	0	371.481	1.210	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@]2(C)CCc3ccccc32)C[C@H]1C	ZINC001107058560	900271950	/nfs/dbraw/zinc/27/19/50/900271950.db2.gz	OJGDHOBPBABNBQ-RADWXHQJSA-N	1	0	367.493	1.324	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]Cc2cc(OC)ns2)[C@H](C)C1	ZINC001107058828	900290827	/nfs/dbraw/zinc/29/08/27/900290827.db2.gz	BZAIVBIQECEWDX-ZIAGYGMSSA-N	1	0	353.488	1.929	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]Cc2nnc(C(C)C)n2C)[C@H](C)C1	ZINC001107059016	900309104	/nfs/dbraw/zinc/30/91/04/900309104.db2.gz	MVYVUSKLGIPHQN-HZPDHXFCSA-N	1	0	363.506	1.715	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnc(CC)s2)C[C@H]1C	ZINC001107060691	900365411	/nfs/dbraw/zinc/36/54/11/900365411.db2.gz	ISXDVMKIDCOPJE-MGPQQGTHSA-N	1	0	364.515	1.694	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCCC2)[C@H](C)C1	ZINC001107062426	900370208	/nfs/dbraw/zinc/37/02/08/900370208.db2.gz	KTUQQPKUJOXWCW-IXDOHACOSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nc(C3CC3)nn2C)[C@H](C)C1	ZINC001107063340	900449443	/nfs/dbraw/zinc/44/94/43/900449443.db2.gz	LLNOOXHTEFGRPQ-IJEWVQPXSA-N	1	0	361.490	1.468	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C2CCC(NC(C)=O)CC2)C[C@H]1C	ZINC001107086785	900716783	/nfs/dbraw/zinc/71/67/83/900716783.db2.gz	AMBWIXJHMYGCTB-ZTRSQXPZSA-N	1	0	365.518	1.568	20	30		FDEDRO
C#CC[C@@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1)c1ccccc1	ZINC001107090799	900775897	/nfs/dbraw/zinc/77/58/97/900775897.db2.gz	UMBIABZHJGHTMI-YZGWKJHDSA-N	1	0	369.509	1.956	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cn(C)nn2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001107092245	900792017	/nfs/dbraw/zinc/79/20/17/900792017.db2.gz	KKEXFEFIYJPYND-IEBWSBKVSA-N	1	0	365.481	1.484	20	30		FDEDRO
C#CC[C@@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC)[C@H](C)C1)c1ccccc1	ZINC001107090161	900804062	/nfs/dbraw/zinc/80/40/62/900804062.db2.gz	FMMATCVRLSYNRU-NZSAHSFTSA-N	1	0	355.482	1.614	20	30		FDEDRO
C#CC[C@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC)[C@H](C)C1)c1ccccc1	ZINC001107090158	900804385	/nfs/dbraw/zinc/80/43/85/900804385.db2.gz	FMMATCVRLSYNRU-BHIYHBOVSA-N	1	0	355.482	1.614	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)c4c[nH]c(C#N)c4)C3)CC2)CC[N@@H+]1C	ZINC000944948649	901086984	/nfs/dbraw/zinc/08/69/84/901086984.db2.gz	CWFDSUDWSIRTLF-RHSMWYFYSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cscn2)[C@@H](n2ccnn2)C1	ZINC001129307910	901102527	/nfs/dbraw/zinc/10/25/27/901102527.db2.gz	TYIQDFMLJGZBGF-BMFZPTHFSA-N	1	0	360.487	1.674	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@H](CC)[NH+](C)C)CC2	ZINC000944982305	901159357	/nfs/dbraw/zinc/15/93/57/901159357.db2.gz	GJIKSECHQKPHOS-IKGGRYGDSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNC(=O)C[N@H+]2CCC(C)(C)C2)CCC1	ZINC001064554544	901405048	/nfs/dbraw/zinc/40/50/48/901405048.db2.gz	ZZURHRGOVQJLIR-CVEARBPZSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NC(=O)C[N@@H+](C)CC(C)(C)C)CCC1	ZINC001064584360	901435535	/nfs/dbraw/zinc/43/55/35/901435535.db2.gz	MIOMCDPEODTIKW-CVEARBPZSA-N	1	0	365.518	1.711	20	30		FDEDRO
Cc1c(CC(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)cnn1C	ZINC001084396775	914541261	/nfs/dbraw/zinc/54/12/61/914541261.db2.gz	NERVQFUKXCSPLF-UYAOXDASSA-N	1	0	363.465	1.876	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2ccc(C#N)nn2)CC[N@@H+]1C	ZINC001065170980	901884218	/nfs/dbraw/zinc/88/42/18/901884218.db2.gz	MHOVMMDQMITFFK-MXASKKJJSA-N	1	0	354.458	1.258	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C2=COCCC2)C1	ZINC001079128048	901931339	/nfs/dbraw/zinc/93/13/39/901931339.db2.gz	HJKUJWDJYIALTK-WOJBJXKFSA-N	1	0	354.450	1.778	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2c[nH]c(=O)cc2C)C1	ZINC001079142654	901950421	/nfs/dbraw/zinc/95/04/21/901950421.db2.gz	NGWBAZMMOPAMDA-RTBURBONSA-N	1	0	367.449	1.969	20	30		FDEDRO
C=C1CCC(C(=O)N(Cc2ccccc2)[C@@H]2C[N@H+](CCO)C[C@H]2O)CC1	ZINC001079142859	901952159	/nfs/dbraw/zinc/95/21/59/901952159.db2.gz	YACPKZJAILIMTM-WOJBJXKFSA-N	1	0	358.482	1.799	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCn2cncn2)CC[C@H]1c1ccc(F)cc1	ZINC001079148802	901976640	/nfs/dbraw/zinc/97/66/40/901976640.db2.gz	NCXNMTIWLJNXMS-ZWKOTPCHSA-N	1	0	355.417	1.415	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2COCCN2C)CC[C@H]1c1ccc(F)cc1	ZINC001079151131	901984241	/nfs/dbraw/zinc/98/42/41/901984241.db2.gz	BEUFAXHOCNFWOG-IPMKNSEASA-N	1	0	359.445	1.064	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2nnc(C)o2)CC[C@H]1c1ccc(F)cc1	ZINC001079151302	901984384	/nfs/dbraw/zinc/98/43/84/901984384.db2.gz	KTPQIRCFXGHBAE-DLBZAZTESA-N	1	0	356.401	1.667	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCN(C)C(=O)C2)CC[C@H]1c1ccc(F)cc1	ZINC001079153573	901989900	/nfs/dbraw/zinc/98/99/00/901989900.db2.gz	NWTNPFMQQAHSPO-YTQUADARSA-N	1	0	371.456	1.601	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)CC[C@H]1c1ccc(F)cc1	ZINC001079153517	901989913	/nfs/dbraw/zinc/98/99/13/901989913.db2.gz	LOJNGVOBUXFXOS-FZDIXFNVSA-N	1	0	360.429	1.537	20	30		FDEDRO
C=CCn1cccc1C(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CCO)C[C@H]1O	ZINC001079136923	902010228	/nfs/dbraw/zinc/01/02/28/902010228.db2.gz	JZCXUHOWYGGSIR-WOJBJXKFSA-N	1	0	369.465	1.354	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2c[nH]c(=O)n2C)C1	ZINC001079140432	902028499	/nfs/dbraw/zinc/02/84/99/902028499.db2.gz	IKCUMZSRHPBQCK-QZTJIDSGSA-N	1	0	370.453	1.389	20	30		FDEDRO
C=CCCC(=O)N1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCO2	ZINC001079140935	902029853	/nfs/dbraw/zinc/02/98/53/902029853.db2.gz	INUQDQGEQCNGFA-IAGOWNOFSA-N	1	0	363.502	1.513	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2C=CCC2)C3)CC1	ZINC000995717102	902043200	/nfs/dbraw/zinc/04/32/00/902043200.db2.gz	CUQBYVVXJZRRBE-RNQOJCNYSA-N	1	0	369.509	1.936	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]Cc2ccn(C)n2)C1	ZINC001079174728	902056240	/nfs/dbraw/zinc/05/62/40/902056240.db2.gz	DWMFRJAULDYJGR-JEBQAFNWSA-N	1	0	355.417	1.803	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)C[C@H]1c1cccc(F)c1	ZINC001079176751	902060935	/nfs/dbraw/zinc/06/09/35/902060935.db2.gz	PHCCCYOPBVVHLY-IPMKNSEASA-N	1	0	361.461	1.616	20	30		FDEDRO
C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1c1cccc(F)c1	ZINC001079178186	902064461	/nfs/dbraw/zinc/06/44/61/902064461.db2.gz	YNCBQQGRDBCPTA-PZPSRYQVSA-N	1	0	356.401	1.604	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCNC(=O)C2)CC[C@H]1c1ccc(F)cc1	ZINC001079154496	902068361	/nfs/dbraw/zinc/06/83/61/902068361.db2.gz	GMWSHSLVMSYDLE-UEXGIBASSA-N	1	0	371.456	1.649	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2C)CC[C@H]1c1ccc(F)cc1	ZINC001079155626	902071873	/nfs/dbraw/zinc/07/18/73/902071873.db2.gz	KJERHNLOSIYATO-CEXWTWQISA-N	1	0	371.456	1.744	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](CCCCCNC(=O)CCC)CC1	ZINC001079156143	902073553	/nfs/dbraw/zinc/07/35/53/902073553.db2.gz	IBELGFKPSZSTNX-MSOLQXFVSA-N	1	0	365.518	1.808	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3n[nH]nc3c2)C[C@H]1c1cccc(F)c1	ZINC001079209667	902116906	/nfs/dbraw/zinc/11/69/06/902116906.db2.gz	IIKLJVFVECSNAP-QFBILLFUSA-N	1	0	363.396	1.928	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2noc3c2COCC3)C[C@H]1c1cccc(F)c1	ZINC001079211186	902159183	/nfs/dbraw/zinc/15/91/83/902159183.db2.gz	VBFKRQGQDVYZLW-DOTOQJQBSA-N	1	0	369.396	1.717	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)Cc3cccnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079237011	902177094	/nfs/dbraw/zinc/17/70/94/902177094.db2.gz	JFSQZJOWHYVHPW-RBUKOAKNSA-N	1	0	353.466	1.587	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H](C)n3cccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079225015	902231659	/nfs/dbraw/zinc/23/16/59/902231659.db2.gz	PVKCARYRFHSZBE-OKZBNKHCSA-N	1	0	358.486	1.960	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)[C@H](C)n3cccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079224948	902232471	/nfs/dbraw/zinc/23/24/71/902232471.db2.gz	NBSJIYVLKALDGS-OKZBNKHCSA-N	1	0	356.470	1.407	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)COC3CCCC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079225178	902233367	/nfs/dbraw/zinc/23/33/67/902233367.db2.gz	YCOYZJHYIFBIFR-RBUKOAKNSA-N	1	0	360.498	1.908	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)CC[C@H]3CCCO3)[C@@H]3COC[C@@H]32)CC1	ZINC001079226229	902236359	/nfs/dbraw/zinc/23/63/59/902236359.db2.gz	RAKHBTLNCDZUAC-CEXWTWQISA-N	1	0	360.498	1.908	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cc(C)nn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079227339	902239799	/nfs/dbraw/zinc/23/97/99/902239799.db2.gz	OCUTYFFOGQUXTJ-FUHWJXTLSA-N	1	0	356.470	1.305	20	30		FDEDRO
Cc1cc(C[NH+]2CCC3(CN(C(=O)[C@@H](C)C#N)[C@@H]4COC[C@@H]43)CC2)ncn1	ZINC001079228219	902241201	/nfs/dbraw/zinc/24/12/01/902241201.db2.gz	BTYSSAKVIGRFPO-JCGIZDLHSA-N	1	0	369.469	1.384	20	30		FDEDRO
Cc1cc(C[NH+]2CCC3(CN(C(=O)[C@H](C)C#N)[C@@H]4COC[C@@H]43)CC2)ncn1	ZINC001079228218	902241466	/nfs/dbraw/zinc/24/14/66/902241466.db2.gz	BTYSSAKVIGRFPO-FHLIZLRMSA-N	1	0	369.469	1.384	20	30		FDEDRO
Cc1cncc(C[NH+]2CCC3(CN(C(=O)[C@@H](C)C#N)[C@@H]4COC[C@@H]43)CC2)c1	ZINC001079228457	902243763	/nfs/dbraw/zinc/24/37/63/902243763.db2.gz	NCRGMIPWIWKDSX-YTQUADARSA-N	1	0	368.481	1.989	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC2(CC[NH+](Cc3cncs3)CC2)[C@H]2COC[C@H]21	ZINC001079228448	902244324	/nfs/dbraw/zinc/24/43/24/902244324.db2.gz	MTIGETDQSYWWDL-VNQPRFMTSA-N	1	0	360.483	1.742	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)CC3CCOCC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079228650	902245149	/nfs/dbraw/zinc/24/51/49/902245149.db2.gz	UOTGZCLTYVSZQT-RBUKOAKNSA-N	1	0	360.498	1.766	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)CCc3c[nH]cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079244725	902249342	/nfs/dbraw/zinc/24/93/42/902249342.db2.gz	BNLNKHXLNFAHKQ-ZWKOTPCHSA-N	1	0	356.470	1.305	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)COc3cc(C)on3)[C@@H]3COC[C@@H]32)CC1	ZINC001079245591	902254296	/nfs/dbraw/zinc/25/42/96/902254296.db2.gz	AZBSMDSQUMHAER-JKSUJKDBSA-N	1	0	361.442	1.487	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079245618	902254399	/nfs/dbraw/zinc/25/43/99/902254399.db2.gz	CFQHMJAOAUHRGY-XLMAVXFVSA-N	1	0	354.454	1.086	20	30		FDEDRO
N#CCN1CCC2(CN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079250209	902268246	/nfs/dbraw/zinc/26/82/46/902268246.db2.gz	RQZMAHQYXQXJQY-ZWKOTPCHSA-N	1	0	365.437	1.411	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3ccnc(OC)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079250223	902268483	/nfs/dbraw/zinc/26/84/83/902268483.db2.gz	SYFBMHTYWICIJI-ZWKOTPCHSA-N	1	0	369.465	1.667	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)Cc3ccc(=O)[nH]c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079252679	902274148	/nfs/dbraw/zinc/27/41/48/902274148.db2.gz	NMRSNYKZMHESLL-ZWKOTPCHSA-N	1	0	369.465	1.292	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H]3COC[C@@H]32)CC1	ZINC001079252742	902275943	/nfs/dbraw/zinc/27/59/43/902275943.db2.gz	QTGOUBBSXNWYHY-LUMDGCDRSA-N	1	0	358.482	1.535	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ccc4n[nH]cc4c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079256713	902285316	/nfs/dbraw/zinc/28/53/16/902285316.db2.gz	BCSWLYIYWUHALX-PKOBYXMFSA-N	1	0	364.449	1.749	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3csc(=O)[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079256026	902285733	/nfs/dbraw/zinc/28/57/33/902285733.db2.gz	XXQOECKSCYFKBA-DZGCQCFKSA-N	1	0	363.483	1.978	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)Cc3cnn(CC)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269164	902324341	/nfs/dbraw/zinc/32/43/41/902324341.db2.gz	JTVAEENFQDSDEN-RBUKOAKNSA-N	1	0	370.497	1.408	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CN(C(=O)Cn3cncn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079272337	902335054	/nfs/dbraw/zinc/33/50/54/902335054.db2.gz	JOGYQQOSQHMSSL-DLBZAZTESA-N	1	0	359.474	1.184	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)Cc3ccn(CC)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079242969	902339366	/nfs/dbraw/zinc/33/93/66/902339366.db2.gz	CSBOFTYULMHIFU-RBUKOAKNSA-N	1	0	370.497	1.408	20	30		FDEDRO
C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1c1ccccc1F	ZINC001079290380	902389044	/nfs/dbraw/zinc/38/90/44/902389044.db2.gz	HUHCTCMLFRFWNX-HNJNHCNJSA-N	1	0	356.401	1.604	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@H]1c1ccccc1F	ZINC001079320788	902421974	/nfs/dbraw/zinc/42/19/74/902421974.db2.gz	JYKQBOCQQNMJLS-FUHWJXTLSA-N	1	0	353.397	1.205	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3nncn3C2)C[C@H]1c1ccccc1F	ZINC001079321762	902423289	/nfs/dbraw/zinc/42/32/89/902423289.db2.gz	BIXDJNYIICZVNG-QILLFSRXSA-N	1	0	367.428	1.197	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCN2CCCC2=O)C[C@H]1c1ccccc1F	ZINC001079320955	902423406	/nfs/dbraw/zinc/42/34/06/902423406.db2.gz	TWRGMAWMRCTNCQ-FUHWJXTLSA-N	1	0	357.429	1.355	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2C)C[C@H]1c1ccccc1F	ZINC001079305192	902436638	/nfs/dbraw/zinc/43/66/38/902436638.db2.gz	PXTJJYKKJRWRBX-UWWQBHOKSA-N	1	0	357.429	1.354	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1c1ccccc1F	ZINC001079308817	902443007	/nfs/dbraw/zinc/44/30/07/902443007.db2.gz	XWOKTVHDPDKMMH-WMLDXEAASA-N	1	0	356.401	1.683	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]C[C@H](C)O)C2)c1	ZINC001079309654	902444235	/nfs/dbraw/zinc/44/42/35/902444235.db2.gz	KTMKHDBLWJVKCW-ADLFWFRXSA-N	1	0	367.424	1.781	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C2	ZINC000995914588	902690059	/nfs/dbraw/zinc/69/00/59/902690059.db2.gz	TZCKSIIYOSUQOB-FUMNGEBKSA-N	1	0	365.477	1.553	20	30		FDEDRO
CNC(=O)c1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)cc1	ZINC001079541793	902775429	/nfs/dbraw/zinc/77/54/29/902775429.db2.gz	DJHKOYRAHQZMOT-FZKQIMNGSA-N	1	0	365.437	1.496	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H]([NH2+]Cc3cccc(C#N)c3)C(C)(C)C2)O1	ZINC000995959814	902791839	/nfs/dbraw/zinc/79/18/39/902791839.db2.gz	SJSZJOLAJUTESW-ATZDWAIDSA-N	1	0	370.497	1.604	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)cc1C#N	ZINC001079558895	902797041	/nfs/dbraw/zinc/79/70/41/902797041.db2.gz	OTPKHELZWHLYTF-FRFSOERESA-N	1	0	370.453	1.030	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1(C)C	ZINC000995961675	902798926	/nfs/dbraw/zinc/79/89/26/902798926.db2.gz	SOEHBOPGNHXTLY-TUAOUCFPSA-N	1	0	370.799	1.912	20	30		FDEDRO
C[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC001079590102	902870338	/nfs/dbraw/zinc/87/03/38/902870338.db2.gz	WCYAVIKTUMQZMK-DAXOMENPSA-N	1	0	357.458	1.336	20	30		FDEDRO
C[NH+](C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C#N)c[nH]1)C2)C1CC1	ZINC000996004491	902881316	/nfs/dbraw/zinc/88/13/16/902881316.db2.gz	ACQDIOSUTIDIOT-YQFWSFKMSA-N	1	0	355.442	1.088	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC001079599806	902896479	/nfs/dbraw/zinc/89/64/79/902896479.db2.gz	BDPHHVJUBDBELB-MDASCCDHSA-N	1	0	352.438	1.540	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(C#N)[nH]2)C3)CC[N@@H+]1C	ZINC000996098524	903079542	/nfs/dbraw/zinc/07/95/42/903079542.db2.gz	YAWDNZUBZABYQQ-JNFQDSBJSA-N	1	0	369.469	1.478	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccnc(N(C)C)c1)C2	ZINC001112538561	903254398	/nfs/dbraw/zinc/25/43/98/903254398.db2.gz	MGMPDBIONMIZMB-RXVVDRJESA-N	1	0	370.497	1.629	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cnc2n[nH]nc2c1	ZINC001079862743	903559538	/nfs/dbraw/zinc/55/95/38/903559538.db2.gz	FMEHMPSPWFVWCN-SJKOYZFVSA-N	1	0	361.409	1.475	20	30		FDEDRO
C=CCC[C@@H](C)[NH+]1CC(n2cc(CNC(=O)[C@H]3OCC[C@H]3CC)nn2)C1	ZINC001107180200	903631456	/nfs/dbraw/zinc/63/14/56/903631456.db2.gz	GNOGWNZRLWMWKH-RKVPGOIHSA-N	1	0	361.490	1.921	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2ccccc2C#N)C(C)(C)C1	ZINC000996308414	903664705	/nfs/dbraw/zinc/66/47/05/903664705.db2.gz	FFWVLGXBUPEJRV-SQNIBIBYSA-N	1	0	368.481	1.609	20	30		FDEDRO
CC1(C)CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC000996310348	903670850	/nfs/dbraw/zinc/67/08/50/903670850.db2.gz	MLLYDHUWZSPNCL-YCPHGPKFSA-N	1	0	358.417	1.145	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(N(CC)C(=O)C[N@H+](C)C(C)C)C1	ZINC001079931089	903737843	/nfs/dbraw/zinc/73/78/43/903737843.db2.gz	JGXCYRHKXGYGAH-HKUYNNGSSA-N	1	0	365.518	1.757	20	30		FDEDRO
C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1)[NH+]1CCCCCC1	ZINC000996371851	903800035	/nfs/dbraw/zinc/80/00/35/903800035.db2.gz	WLYZBXKLBYUKRK-YSHGAJCASA-N	1	0	357.498	1.912	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1CCn2ccnc2C1	ZINC001079991506	903820090	/nfs/dbraw/zinc/82/00/90/903820090.db2.gz	KDUCIJAFLKFMFU-ATZDWAIDSA-N	1	0	363.465	1.954	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)CN1CCCCC1=O	ZINC001080031585	903926419	/nfs/dbraw/zinc/92/64/19/903926419.db2.gz	NAPHHQFTJRCQRW-CRAIPNDOSA-N	1	0	354.454	1.507	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cnn2c1OCCC2	ZINC001080046113	903942391	/nfs/dbraw/zinc/94/23/91/903942391.db2.gz	SYLPIIPJOXQGJV-RDTXWAMCSA-N	1	0	365.437	1.788	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2CC[C@@]3(CNC(=O)CNC(N)=O)CCC[C@@H]23)c1	ZINC001107278921	904271569	/nfs/dbraw/zinc/27/15/69/904271569.db2.gz	FOXCCMFXHXIKKW-VQIMIIECSA-N	1	0	355.442	1.087	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]Cc2nnnn2C(C)C)CC1	ZINC000996600865	904318796	/nfs/dbraw/zinc/31/87/96/904318796.db2.gz	MHJHGYNGCIUVCS-CVEARBPZSA-N	1	0	362.478	1.316	20	30		FDEDRO
C=CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)C(=O)NCCCOC)C2	ZINC001111648469	904394544	/nfs/dbraw/zinc/39/45/44/904394544.db2.gz	AHEKNMLJPCDCQX-BXWFABGCSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC1CC1)CC2	ZINC001107318062	904443169	/nfs/dbraw/zinc/44/31/69/904443169.db2.gz	HSXSPWVHEGYFAY-WRWLIDTKSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3n[nH]c(C)c3C)CCC[C@@H]12	ZINC001107334271	904472836	/nfs/dbraw/zinc/47/28/36/904472836.db2.gz	CWNHZHFKSXSDTE-DNVCBOLYSA-N	1	0	359.474	1.303	20	30		FDEDRO
C=CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCCCOC)CC2	ZINC001107327031	904482142	/nfs/dbraw/zinc/48/21/42/904482142.db2.gz	OYJBUTHDTDDCFR-VQIMIIECSA-N	1	0	351.491	1.466	20	30		FDEDRO
C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccc(F)c1)CC2	ZINC001107366618	904572583	/nfs/dbraw/zinc/57/25/83/904572583.db2.gz	MOPONSXHKPJSLT-WIYYLYMNSA-N	1	0	371.456	1.826	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3ccoc3)CCC[C@@H]12	ZINC001107356463	904579187	/nfs/dbraw/zinc/57/91/87/904579187.db2.gz	DSUVZAYRRKCVPF-YLJYHZDGSA-N	1	0	357.454	1.322	20	30		FDEDRO
C#CCCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCN1CCNC1=O)CC2	ZINC001107372406	904599427	/nfs/dbraw/zinc/59/94/27/904599427.db2.gz	FTVPRMYUNFLEBW-YLJYHZDGSA-N	1	0	360.502	1.566	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CC[C@H](C)OC)CCC[C@@H]12	ZINC001107368360	904628065	/nfs/dbraw/zinc/62/80/65/904628065.db2.gz	VBEUPKHYEWPOII-FRQCXROJSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cc(C)ncn1)CC2	ZINC001107381507	904651918	/nfs/dbraw/zinc/65/19/18/904651918.db2.gz	MKEYRBZHKLYQOP-MISYRCLQSA-N	1	0	358.486	1.973	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)Cn3cccc(C)c3=O)CCC[C@@H]12	ZINC001107409346	904771180	/nfs/dbraw/zinc/77/11/80/904771180.db2.gz	RAFSBWPMRPIDMJ-WIYYLYMNSA-N	1	0	371.481	1.167	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)CCc3ccnn3C)CCC[C@@H]12	ZINC001107425680	904839493	/nfs/dbraw/zinc/83/94/93/904839493.db2.gz	JVHWOXSXCLPSJM-UYAOXDASSA-N	1	0	360.502	1.916	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)CCCN3C(=O)CCC3=O)CCC[C@@H]12	ZINC001107426237	904847465	/nfs/dbraw/zinc/84/74/65/904847465.db2.gz	KOXCTGVCROQHPR-OXQOHEQNSA-N	1	0	361.486	1.853	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc4n(n3)CCC4)CCC[C@@H]12	ZINC001107429452	904869378	/nfs/dbraw/zinc/86/93/78/904869378.db2.gz	MQCLBNBVCYTFPA-YLJYHZDGSA-N	1	0	371.485	1.106	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)CCCn3ccnn3)CCC[C@@H]12	ZINC001107432739	904883005	/nfs/dbraw/zinc/88/30/05/904883005.db2.gz	YANVDYXYHFHRQU-IEBWSBKVSA-N	1	0	361.490	1.622	20	30		FDEDRO
CC[C@@H](CC(F)F)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107434332	904891817	/nfs/dbraw/zinc/89/18/17/904891817.db2.gz	RXFRIAGDNDSVFA-PMUMKWKESA-N	1	0	370.444	1.668	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)Cc3cn(C)nc3C)CCC[C@@H]12	ZINC001107439533	904921991	/nfs/dbraw/zinc/92/19/91/904921991.db2.gz	DRIAQSNLVZDCRI-UYAOXDASSA-N	1	0	360.502	1.834	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001081675914	904923779	/nfs/dbraw/zinc/92/37/79/904923779.db2.gz	LWQYRFSEZNPHGF-XUVXKRRUSA-N	1	0	368.481	1.215	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CCC[C@@H]12	ZINC001107441023	904926607	/nfs/dbraw/zinc/92/66/07/904926607.db2.gz	HVHJOFICAWPRKL-MXHNKVEKSA-N	1	0	371.485	1.176	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3cnccc3OC)CCC[C@@H]12	ZINC001107448439	904966148	/nfs/dbraw/zinc/96/61/48/904966148.db2.gz	JLVLPWRGIPBTAF-TZIWHRDSSA-N	1	0	371.481	1.643	20	30		FDEDRO
C=CCN1CC[C@H](N2C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1=O	ZINC001080255048	905062795	/nfs/dbraw/zinc/06/27/95/905062795.db2.gz	NQJNIQNYZGBNPK-ZACQAIPSSA-N	1	0	362.518	1.084	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cn(CC(F)F)nc2C)[C@H](OC)C1	ZINC001081826919	905075511	/nfs/dbraw/zinc/07/55/11/905075511.db2.gz	HVXMBSTUHWAFDN-HUUCEWRRSA-N	1	0	356.417	1.852	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)CCC[C@@H]12	ZINC001107481065	905133335	/nfs/dbraw/zinc/13/33/35/905133335.db2.gz	FLFBUKNHXLJXMA-JDNULILRSA-N	1	0	372.513	1.813	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC=C)CC3)cc1	ZINC001107494714	905194150	/nfs/dbraw/zinc/19/41/50/905194150.db2.gz	WGGXGBTWSXUZKA-DENIHFKCSA-N	1	0	365.477	1.945	20	30		FDEDRO
C#CCCCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@@H](O)COC)CC2	ZINC001107500659	905240027	/nfs/dbraw/zinc/24/00/27/905240027.db2.gz	MPUWDBRLFIHIBL-QWFCFKBJSA-N	1	0	350.503	1.938	20	30		FDEDRO
C=CC(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCS(C)(=O)=O)CC2	ZINC001107502573	905257327	/nfs/dbraw/zinc/25/73/27/905257327.db2.gz	JTWLAMDHKGQTTN-CRAIPNDOSA-N	1	0	356.532	1.994	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3CC4(CCC4)C3)CCC[C@@H]12	ZINC001107510055	905263988	/nfs/dbraw/zinc/26/39/88/905263988.db2.gz	SOMOCGFGDRPEHY-DYESRHJHSA-N	1	0	357.498	1.677	20	30		FDEDRO
C[C@@H]1CN(Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C1CC[NH+](C)CC1	ZINC001080382591	905289491	/nfs/dbraw/zinc/28/94/91/905289491.db2.gz	SQJUQCFNTIKLIC-AUUYWEPGSA-N	1	0	358.461	1.976	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(=O)NC)CC2	ZINC001107515327	905314178	/nfs/dbraw/zinc/31/41/78/905314178.db2.gz	QWLCOSBCSRIFQY-QMTMVMCOSA-N	1	0	364.490	1.405	20	30		FDEDRO
C=CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCCCOC)CC2	ZINC001107524060	905361933	/nfs/dbraw/zinc/36/19/33/905361933.db2.gz	GBVYENDEQJLYRX-YLJYHZDGSA-N	1	0	365.518	1.856	20	30		FDEDRO
C#CCCN1CC[NH+](C2CCC(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)CC1	ZINC000996790462	905530975	/nfs/dbraw/zinc/53/09/75/905530975.db2.gz	XYWFMVIISIHHEH-WKXIVMOISA-N	1	0	359.514	1.622	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)[C@H](OC)C1	ZINC001082050252	905620261	/nfs/dbraw/zinc/62/02/61/905620261.db2.gz	QGHBMJCECDJQGG-ARFHVFGLSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)OCCOC)CCC[C@@H]12	ZINC001107567220	905675883	/nfs/dbraw/zinc/67/58/83/905675883.db2.gz	OBKSNQCCJJVHOS-ZHALLVOQSA-N	1	0	354.491	1.601	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C)nc(C)n3)CCC[C@@H]12	ZINC001107574027	905721463	/nfs/dbraw/zinc/72/14/63/905721463.db2.gz	MELTXJDPYBNFJW-YLJYHZDGSA-N	1	0	371.485	1.370	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1CN(C(=O)C[N@H+](C)CC(C)(C)C)C1	ZINC001080574849	905725970	/nfs/dbraw/zinc/72/59/70/905725970.db2.gz	UADYBDHCMYGHHX-SJORKVTESA-N	1	0	365.518	1.615	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)CNC(C)=O)CCC[C@@H]12	ZINC001107576850	905767110	/nfs/dbraw/zinc/76/71/10/905767110.db2.gz	DRAUSJHKZZXZMJ-YLJYHZDGSA-N	1	0	365.518	1.712	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C	ZINC001082125829	905866340	/nfs/dbraw/zinc/86/63/40/905866340.db2.gz	KLDZRWYPWNKIOI-BBWFWOEESA-N	1	0	351.491	1.415	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)C3(S(C)(=O)=O)CCC3)CCC[C@@H]12	ZINC001107594762	905882058	/nfs/dbraw/zinc/88/20/58/905882058.db2.gz	TWGXMHTUMZWAEL-NVXWUHKLSA-N	1	0	354.516	1.891	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)Cc4nc[nH]n4)CCC[C@@H]23)cc1	ZINC001107604507	905946383	/nfs/dbraw/zinc/94/63/83/905946383.db2.gz	XAOIWRCGDOHVIG-YLJYHZDGSA-N	1	0	364.453	1.780	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)N(C)CC)CC3)cn1	ZINC001107610420	905970049	/nfs/dbraw/zinc/97/00/49/905970049.db2.gz	YZRFTHSWDIUZEJ-WIYYLYMNSA-N	1	0	368.481	1.516	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1OC	ZINC001082149808	905992559	/nfs/dbraw/zinc/99/25/59/905992559.db2.gz	PSYDPHUSAIBPRW-ZJPYXAASSA-N	1	0	352.475	1.210	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(OC)cc3)CCC[C@@H]12	ZINC001107615541	906004036	/nfs/dbraw/zinc/00/40/36/906004036.db2.gz	GICSRKAFGZGPEA-WIYYLYMNSA-N	1	0	371.481	1.972	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCN(C(C)=O)C3)CCC[C@@H]12	ZINC001107620448	906056156	/nfs/dbraw/zinc/05/61/56/906056156.db2.gz	OTPNJSIJZNZXQW-NLWGTHIKSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CN2c3ccccc3CC2=O)[C@H](OC)C1	ZINC001082177113	906057538	/nfs/dbraw/zinc/05/75/38/906057538.db2.gz	YFLAGURFQJYUNE-SJLPKXTDSA-N	1	0	357.454	1.357	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@]3(C)CCS(=O)(=O)N3)CCC[C@@H]12	ZINC001107620990	906060768	/nfs/dbraw/zinc/06/07/68/906060768.db2.gz	GMHGJJAWWGNXEL-BPQIPLTHSA-N	1	0	369.531	1.395	20	30		FDEDRO
CC#CCN1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@H](OC)C1	ZINC001082159713	906086419	/nfs/dbraw/zinc/08/64/19/906086419.db2.gz	MCGUDGXYMVHAMZ-IYWMVGAKSA-N	1	0	355.482	1.171	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4n[nH]nc4c3)CCC[C@@H]12	ZINC001107629964	906118367	/nfs/dbraw/zinc/11/83/67/906118367.db2.gz	RCKZBPQSYZIEHE-UYAOXDASSA-N	1	0	367.453	1.582	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)[C@@H](C)CC)CCC[C@@H]12	ZINC001107636581	906136617	/nfs/dbraw/zinc/13/66/17/906136617.db2.gz	GHUHAHVDCMWQJZ-SQGPQFPESA-N	1	0	365.518	1.712	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCCc3ccccc3C)C[C@H]2O)c1	ZINC001077649796	906224329	/nfs/dbraw/zinc/22/43/29/906224329.db2.gz	FZEIJTALSFLQHV-NHCUHLMSSA-N	1	0	363.461	1.779	20	30		FDEDRO
CO[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1	ZINC001082202189	906241546	/nfs/dbraw/zinc/24/15/46/906241546.db2.gz	KUUFVRYUWVEPOW-NHCUHLMSSA-N	1	0	369.509	1.585	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3F)C[C@H]2C)cn1	ZINC001080801748	906275718	/nfs/dbraw/zinc/27/57/18/906275718.db2.gz	HRWIKIWUIJPJKF-JSNMRZPZSA-N	1	0	367.424	1.986	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)cc(C)c3)C[C@H]2OC)nn1	ZINC001082213220	906298430	/nfs/dbraw/zinc/29/84/30/906298430.db2.gz	QJEOIEOGZZTQHF-IEBWSBKVSA-N	1	0	369.469	1.710	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC	ZINC001082292178	906542640	/nfs/dbraw/zinc/54/26/40/906542640.db2.gz	ZZHGIERJMUBZAK-BBWFWOEESA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CS(=O)(=O)N(CC)CC)C2	ZINC001112539068	906695002	/nfs/dbraw/zinc/69/50/02/906695002.db2.gz	JATUXTJAZNZIIT-RDJZCZTQSA-N	1	0	357.520	1.062	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)N2CCC[C@@H](C)C2)CC1	ZINC000997011102	906923275	/nfs/dbraw/zinc/92/32/75/906923275.db2.gz	IERSTXYLTASHQY-NXHRZFHOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2cc(CO)ccc2F)CC1	ZINC000997010953	906923460	/nfs/dbraw/zinc/92/34/60/906923460.db2.gz	DYYFNSLDZVYHAG-MJGOQNOKSA-N	1	0	362.445	1.990	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2nnnn2C(C)(C)C)CC1	ZINC000997012041	906927573	/nfs/dbraw/zinc/92/75/73/906927573.db2.gz	NZRGPMHZLMKURL-CABCVRRESA-N	1	0	362.478	1.100	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2nnc(C)n2C2CC2)CC1	ZINC000997012432	906929202	/nfs/dbraw/zinc/92/92/02/906929202.db2.gz	TYMRXQZDYRNWJQ-SJORKVTESA-N	1	0	359.474	1.593	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1OC	ZINC001082345327	906935319	/nfs/dbraw/zinc/93/53/19/906935319.db2.gz	FCFIESWPSNPVLE-VAMGGRTRSA-N	1	0	356.466	1.595	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](C[C@H](OC)C2CCC2)C[C@H]1OC	ZINC001082345326	906935693	/nfs/dbraw/zinc/93/56/93/906935693.db2.gz	FBYMBASCHAYAFR-QHAWAJNXSA-N	1	0	370.493	1.841	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2sc(COC)nc2C)[C@H](OC)C1	ZINC001082346907	906944113	/nfs/dbraw/zinc/94/41/13/906944113.db2.gz	HKHNZLOVBBJIBP-ZIAGYGMSSA-N	1	0	353.488	1.993	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3ccc(OC)nc3)C[C@H]2C)CC1	ZINC001080997973	906973853	/nfs/dbraw/zinc/97/38/53/906973853.db2.gz	QOKVWEBFCUSHTD-VQIMIIECSA-N	1	0	370.497	1.372	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COC1CCOCC1)C2	ZINC001112539357	906998273	/nfs/dbraw/zinc/99/82/73/906998273.db2.gz	WIQSXMZBDGGPFF-PXNSSMCTSA-N	1	0	364.486	1.050	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)CC)C2)C[C@H]1c1ccccc1	ZINC001081120987	907177630	/nfs/dbraw/zinc/17/76/30/907177630.db2.gz	NYHRALKBYZRDIH-HSALFYBXSA-N	1	0	367.493	1.852	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC(=O)N(C(C)C)C2)C[C@H]1c1ccccc1	ZINC001081122335	907179590	/nfs/dbraw/zinc/17/95/90/907179590.db2.gz	OJJKJJUKBPYZDO-GBESFXJTSA-N	1	0	353.466	1.461	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cn2cccc(C)c2=O)C[C@H]1c1ccccc1	ZINC001081116832	907222207	/nfs/dbraw/zinc/22/22/07/907222207.db2.gz	CHNAAQHDDFSBAT-RBUKOAKNSA-N	1	0	351.450	1.927	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nc3ncc(C)cn3n2)C[C@H]1c1ccccc1	ZINC001081132385	907233671	/nfs/dbraw/zinc/23/36/71/907233671.db2.gz	WGKDTKSCHMEFLG-DLBZAZTESA-N	1	0	360.421	1.264	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+]C[C@H]2CCc3ncnn32)CC1	ZINC000997085999	907263303	/nfs/dbraw/zinc/26/33/03/907263303.db2.gz	UYBBNEVQQSKIHG-RYRKJORJSA-N	1	0	359.474	1.327	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cncc3ncn(C)c32)C[C@H]1c1ccccc1	ZINC001081127076	907310960	/nfs/dbraw/zinc/31/09/60/907310960.db2.gz	UKXZNGFPUWJTQT-PKOBYXMFSA-N	1	0	359.433	1.799	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3n[nH]nc3C2)C[C@H]1c1ccccc1	ZINC001081213848	907323124	/nfs/dbraw/zinc/32/31/24/907323124.db2.gz	ROVOMCYGRFPINX-JTDSTZFVSA-N	1	0	351.454	1.680	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C2CCS(=O)(=O)CC2)C[C@H]1c1ccccc1	ZINC001081190819	907368014	/nfs/dbraw/zinc/36/80/14/907368014.db2.gz	ULARMIYDJBMASP-ZWKOTPCHSA-N	1	0	362.495	1.581	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cn2nnnc2C(C)C)C[C@H]1c1ccccc1	ZINC001081193233	907371701	/nfs/dbraw/zinc/37/17/01/907371701.db2.gz	PBNQJSGMEYSSPX-DLBZAZTESA-N	1	0	354.458	1.567	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2c(C)c(C)sc2=O)[C@H](OC)C1	ZINC001082384134	907384721	/nfs/dbraw/zinc/38/47/21/907384721.db2.gz	FKCFMHRDFCSZSA-HUUCEWRRSA-N	1	0	353.488	1.308	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1c1ccccc1	ZINC001081233220	907433473	/nfs/dbraw/zinc/43/34/73/907433473.db2.gz	XDXCDBIKSZOEJI-DLBZAZTESA-N	1	0	354.454	1.498	20	30		FDEDRO
CCN(CC)S(=O)(=O)c1ccc(N=NC2CC[N@@H+]3CCC[C@@H]23)nc1	ZINC000765563022	907575703	/nfs/dbraw/zinc/57/57/03/907575703.db2.gz	NATKZXWEUWUTGO-HNNXBMFYSA-N	1	0	351.476	1.748	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1C	ZINC001082413727	907633378	/nfs/dbraw/zinc/63/33/78/907633378.db2.gz	KLTYLCCNJCPYHP-MLGOLLRUSA-N	1	0	367.409	1.313	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CCO[C@]2(CCSC2)C1)C1CC[NH+](C)CC1	ZINC000921540273	907710730	/nfs/dbraw/zinc/71/07/30/907710730.db2.gz	GKJIYHMHLNRPPJ-MAUKXSAKSA-N	1	0	351.516	1.780	20	30		FDEDRO
COc1ccc(C(C)=NNC2=NC(=O)C(=O)N2)cc1C[NH+]1CCCCC1	ZINC000765593404	907721626	/nfs/dbraw/zinc/72/16/26/907721626.db2.gz	FODOCJFUMQIFLX-UHFFFAOYSA-N	1	0	357.414	1.007	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2cc(C)nn2C)C[C@H]1C	ZINC001082440279	907776086	/nfs/dbraw/zinc/77/60/86/907776086.db2.gz	USPBQCDPLUUBEL-CXAGYDPISA-N	1	0	367.453	1.859	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCOC2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082455740	907852301	/nfs/dbraw/zinc/85/23/01/907852301.db2.gz	CVFRXRYZIUNRDQ-HHXXYDBFSA-N	1	0	357.454	1.952	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[C@@H]3CCOC3)C[C@H]2C)cc1C#N	ZINC001082455895	907853864	/nfs/dbraw/zinc/85/38/64/907853864.db2.gz	IDXIEDVUPDEUND-UWWQBHOKSA-N	1	0	357.454	1.930	20	30		FDEDRO
Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC001082464839	907899966	/nfs/dbraw/zinc/89/99/66/907899966.db2.gz	KNFLKBUCVBITKZ-IAQYHMDHSA-N	1	0	359.455	1.168	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2O)cc1	ZINC001077795412	907990137	/nfs/dbraw/zinc/99/01/37/907990137.db2.gz	HQBDFQLPONOTQE-WOJBJXKFSA-N	1	0	350.418	1.674	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+][C@H]1CCN(c2ccccc2F)C1=O	ZINC001082504807	908116352	/nfs/dbraw/zinc/11/63/52/908116352.db2.gz	IOCFHHIBBZOOSG-FHLIZLRMSA-N	1	0	369.440	1.781	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)[nH]1	ZINC001082505121	908118802	/nfs/dbraw/zinc/11/88/02/908118802.db2.gz	GVKWRLPSADTJGH-BDJLRTHQSA-N	1	0	356.405	1.303	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1CC[NH+](CC(=O)N(C)C)CC1	ZINC000997348195	908278614	/nfs/dbraw/zinc/27/86/14/908278614.db2.gz	LQIIWKHYOSZMCZ-HFTRVMKXSA-N	1	0	351.491	1.273	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2ccnn2C)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082539319	908359163	/nfs/dbraw/zinc/35/91/63/908359163.db2.gz	IDOOVRIXVFRGPF-DNVCBOLYSA-N	1	0	351.454	1.861	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@]1(C)C[N@H+](CCCCOC)CCO1	ZINC001107952722	908374466	/nfs/dbraw/zinc/37/44/66/908374466.db2.gz	KGPRTHIZGFSIIU-AOIWGVFYSA-N	1	0	354.491	1.601	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc[n+]([O-])cc1	ZINC001085125092	921405860	/nfs/dbraw/zinc/40/58/60/921405860.db2.gz	ZGFNOFWGNWDFPJ-ZIAGYGMSSA-N	1	0	354.248	1.859	20	30		FDEDRO
CCN1C[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)s3)C2)CC1=O	ZINC001082543196	908422635	/nfs/dbraw/zinc/42/26/35/908422635.db2.gz	LTKCHTZFDOVUOX-DVOMOZLQSA-N	1	0	360.483	1.425	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3c(C)[nH]nc3Cl)C[C@H]2C)C1=O	ZINC001082551683	908511291	/nfs/dbraw/zinc/51/12/91/908511291.db2.gz	XPPSLFYVANPTOG-RAIGVLPGSA-N	1	0	365.865	1.209	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3[nH]ccc3C3CC3)C[C@H]2C)C1=O	ZINC001082552227	908517154	/nfs/dbraw/zinc/51/71/54/908517154.db2.gz	IIWZCSQBGKZJPW-XOKHGSTOSA-N	1	0	356.470	1.729	20	30		FDEDRO
CC(C)N1C[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)CC1=O	ZINC001082540967	908561882	/nfs/dbraw/zinc/56/18/82/908561882.db2.gz	DOLFQXGVKPPLJB-AYOQOUSVSA-N	1	0	368.481	1.752	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCc2c(C)nc(=O)[nH]c2C)C[C@H]1C	ZINC001082558448	908602675	/nfs/dbraw/zinc/60/26/75/908602675.db2.gz	QYZFQMLLJDJHAX-MEBBXXQBSA-N	1	0	352.866	1.921	20	30		FDEDRO
Cc1nn(C)cc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1	ZINC001082563872	908656680	/nfs/dbraw/zinc/65/66/80/908656680.db2.gz	FPVLZSPQPWEFNG-BFUOFWGJSA-N	1	0	369.444	1.919	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082576621	908747085	/nfs/dbraw/zinc/74/70/85/908747085.db2.gz	PHNIAIKTLOSOBF-SRCQZFHVSA-N	1	0	358.417	1.160	20	30		FDEDRO
Cc1cc(=O)c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)cn1C	ZINC001082578106	908755871	/nfs/dbraw/zinc/75/58/71/908755871.db2.gz	OMYDOQDKBCSCSF-AUUYWEPGSA-N	1	0	364.449	1.816	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082580851	908781838	/nfs/dbraw/zinc/78/18/38/908781838.db2.gz	IWOFIHJYNARMDZ-CSMYWGQOSA-N	1	0	358.417	1.303	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082580752	908782338	/nfs/dbraw/zinc/78/23/38/908782338.db2.gz	DBAYLJYTKVYLGD-CSMYWGQOSA-N	1	0	358.417	1.303	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](CNC(=O)CC[NH+](C)C)CC1	ZINC001060849086	908870658	/nfs/dbraw/zinc/87/06/58/908870658.db2.gz	LSNUCYXTZLDBQC-VQHPVUNQSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1OC)OCC	ZINC001212354664	909069059	/nfs/dbraw/zinc/06/90/59/909069059.db2.gz	GAELCUNZJJNXGT-KZNAEPCWSA-N	1	0	364.490	1.149	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1C[N@H+](CCOCC(C)C)C[C@H]1OC)OCC	ZINC001212354671	909070010	/nfs/dbraw/zinc/07/00/10/909070010.db2.gz	GEEJJIITNUESDW-FGTMMUONSA-N	1	0	356.507	1.846	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cccnc3C3CC3)C[C@H]2C)C1=O	ZINC001082618436	909088471	/nfs/dbraw/zinc/08/84/71/909088471.db2.gz	JLSKVGJWLMLHIC-FHLIZLRMSA-N	1	0	368.481	1.796	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@H+]1CC[C@@H](C)C1	ZINC000997551070	909149566	/nfs/dbraw/zinc/14/95/66/909149566.db2.gz	USCHNXYNHYHMRX-BDXSIMOUSA-N	1	0	370.497	1.878	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc(C)ccc3OC)C[C@H]2C)C1=O	ZINC001082625785	909206118	/nfs/dbraw/zinc/20/61/18/909206118.db2.gz	DEWFBEOQOGZYGT-BPQIPLTHSA-N	1	0	371.481	1.841	20	30		FDEDRO
COCCn1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)n1	ZINC001082635409	909226611	/nfs/dbraw/zinc/22/66/11/909226611.db2.gz	WYSFQJZCXHODIS-DNVCBOLYSA-N	1	0	367.453	1.651	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC(=O)NC2CC2)CC1	ZINC000997590493	909265756	/nfs/dbraw/zinc/26/57/56/909265756.db2.gz	ZHPRZAFZPWYBEX-QGTPRVQTSA-N	1	0	363.502	1.463	20	30		FDEDRO
Cc1cc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)n(C)n1	ZINC001082641543	909273761	/nfs/dbraw/zinc/27/37/61/909273761.db2.gz	VVHNTTONFONLTA-BFUOFWGJSA-N	1	0	369.444	1.919	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2ccnc2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082673342	909511351	/nfs/dbraw/zinc/51/13/51/909511351.db2.gz	HKQSCPIETMHTAH-RDTXWAMCSA-N	1	0	355.417	1.921	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccn(CC)c3C)C[C@H]2C)C1=O	ZINC001082698417	909663270	/nfs/dbraw/zinc/66/32/70/909663270.db2.gz	GVHURHAGWFNUIY-ZTFGCOKTSA-N	1	0	358.486	1.653	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](CC(=O)N(C)C)CC1	ZINC000997793722	909728534	/nfs/dbraw/zinc/72/85/34/909728534.db2.gz	LQIIWKHYOSZMCZ-ZVZYQTTQSA-N	1	0	351.491	1.273	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCc3nn[nH]c32)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082710358	909762748	/nfs/dbraw/zinc/76/27/48/909762748.db2.gz	QAVHGJCGOKPVRF-DIOULYMOSA-N	1	0	370.482	1.794	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082721693	909828125	/nfs/dbraw/zinc/82/81/25/909828125.db2.gz	FSTBVAYEVGCHRQ-IAQYHMDHSA-N	1	0	357.389	1.387	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@H]3CCN(S(C)(=O)=O)C3)C2)C1	ZINC001082729396	909859959	/nfs/dbraw/zinc/85/99/59/909859959.db2.gz	XOUMZEFIKAPOBO-BZUAXINKSA-N	1	0	369.531	1.061	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@@H]3CCNC(=O)CC3)C2)c1	ZINC001082730323	909864456	/nfs/dbraw/zinc/86/44/56/909864456.db2.gz	OCLBWHXVXMKGQF-UWWQBHOKSA-N	1	0	354.454	1.029	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCCC(=O)N2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082734813	909903168	/nfs/dbraw/zinc/90/31/68/909903168.db2.gz	ZMSQZYNUVGKFAV-FHLIZLRMSA-N	1	0	354.454	1.554	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](NC(=O)COCCc2cccc(F)c2)[C@H](OC)C1	ZINC001212379538	909933402	/nfs/dbraw/zinc/93/34/02/909933402.db2.gz	CWMHYUJAEYEJCN-QZTJIDSGSA-N	1	0	350.434	1.776	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082746194	909975886	/nfs/dbraw/zinc/97/58/86/909975886.db2.gz	PFMKAOICYIFOGO-SJKOYZFVSA-N	1	0	351.410	1.236	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(=O)c(OC)co2)C1	ZINC001082752518	909999876	/nfs/dbraw/zinc/99/98/76/909999876.db2.gz	MGMJWBPMACFKSZ-MMTVNHQJSA-N	1	0	362.426	1.176	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC(C)CC2)C1	ZINC001082752194	909999976	/nfs/dbraw/zinc/99/99/76/909999976.db2.gz	VWAQIGVGLWSVOB-TVFCKZIOSA-N	1	0	363.502	1.273	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc(C)cc(F)c3)C[C@H]2C)C1=O	ZINC001082759620	910032410	/nfs/dbraw/zinc/03/24/10/910032410.db2.gz	YSERSTPPMRWOSP-ZTFGCOKTSA-N	1	0	359.445	1.971	20	30		FDEDRO
COc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)n1	ZINC001082785653	910132574	/nfs/dbraw/zinc/13/25/74/910132574.db2.gz	UPWVWYPFZJQTEW-CXAGYDPISA-N	1	0	351.410	1.607	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3scnc3C)C2)nn1	ZINC001082795941	910181478	/nfs/dbraw/zinc/18/14/78/910181478.db2.gz	MIJWDFUADZRILC-TZMCWYRMSA-N	1	0	360.487	1.869	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCC2=O)C1	ZINC001082794033	910203612	/nfs/dbraw/zinc/20/36/12/910203612.db2.gz	UDXIVCROYLDADV-NTDBWNAOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCCCC2)C1	ZINC001082798732	910216093	/nfs/dbraw/zinc/21/60/93/910216093.db2.gz	JESHLKZWGLJPFO-NTDBWNAOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C(N)=O)c2)C1	ZINC001082798760	910216225	/nfs/dbraw/zinc/21/62/25/910216225.db2.gz	KDJCVLNPHAAPBI-FDPIWHGQSA-N	1	0	371.481	1.703	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082802612	910226750	/nfs/dbraw/zinc/22/67/50/910226750.db2.gz	ONCVPMXUQXXPID-ISTRZQFTSA-N	1	0	358.417	1.303	20	30		FDEDRO
CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)nn1	ZINC001082828791	910347116	/nfs/dbraw/zinc/34/71/16/910347116.db2.gz	IHHFECMVSSARQR-CXAGYDPISA-N	1	0	370.432	1.949	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3nonc3C)C[C@H]2C)cc1C#N	ZINC001082834084	910395354	/nfs/dbraw/zinc/39/53/54/910395354.db2.gz	VPDVOHUIYIQOKT-SJKOYZFVSA-N	1	0	369.425	1.438	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)C(C)(C)C(C)(F)F)C[C@H]2C)C1=O	ZINC001082886566	910648328	/nfs/dbraw/zinc/64/83/28/910648328.db2.gz	AKTJSBBALNIAOD-MGPQQGTHSA-N	1	0	357.445	1.891	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCCCC(=O)N2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082884140	910659889	/nfs/dbraw/zinc/65/98/89/910659889.db2.gz	FKWQJKGHAXNKIS-ATZDWAIDSA-N	1	0	368.481	1.944	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)CC[N@@H+]1C	ZINC000946496283	910699483	/nfs/dbraw/zinc/69/94/83/910699483.db2.gz	KHKFKDHVBOYEJU-DOTOQJQBSA-N	1	0	357.458	1.337	20	30		FDEDRO
C[NH+]1CCC(NC(=S)NC2CCN(c3ccc(C#N)cn3)CC2)CC1	ZINC000727290028	910745870	/nfs/dbraw/zinc/74/58/70/910745870.db2.gz	OXJYOSIQABXCQM-UHFFFAOYSA-N	1	0	358.515	1.480	20	30		FDEDRO
CC(=O)N1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)CC1	ZINC001082910416	910847372	/nfs/dbraw/zinc/84/73/72/910847372.db2.gz	QNKXHZADMOJHOG-FOIQADDNSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cncnc2CC)C[C@H]1C	ZINC001082925091	910915350	/nfs/dbraw/zinc/91/53/50/910915350.db2.gz	OKRSJPMDSKORBI-QMTHXVAHSA-N	1	0	353.264	1.998	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cncc(C(N)=O)c2)C[C@H]1C	ZINC001082927293	910961122	/nfs/dbraw/zinc/96/11/22/910961122.db2.gz	WNFIMNIZDGZCAR-NOZJJQNGSA-N	1	0	367.247	1.139	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccnc2C(N)=O)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082936175	910972015	/nfs/dbraw/zinc/97/20/15/910972015.db2.gz	RSTBZKPYFHDZPC-CXAGYDPISA-N	1	0	363.421	1.302	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](N[C@H](C)c3csnn3)C2)CC1	ZINC001082941515	911017636	/nfs/dbraw/zinc/01/76/36/911017636.db2.gz	VGAVICNHJJYHLD-IIAWOOMASA-N	1	0	361.515	1.381	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CCO[C@@H]3C[N@@H+](C[C@H]4CCC(F)(F)C4)C[C@@H]32)c1	ZINC001083040714	911762681	/nfs/dbraw/zinc/76/26/81/911762681.db2.gz	ZKILGEUAHXUBAK-VBNZEHGJSA-N	1	0	364.396	1.847	20	30		FDEDRO
CO[C@@H](Cc1ccccc1)C[N@@H+]1C[C@H]2OCCN(C(=O)C#CC3CC3)[C@H]2C1	ZINC001083077096	911826768	/nfs/dbraw/zinc/82/67/68/911826768.db2.gz	SJQVENTWUODEKL-PCCBWWKXSA-N	1	0	368.477	1.569	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4ncncc4C3)[C@H]2C1	ZINC001083102995	912026194	/nfs/dbraw/zinc/02/61/94/912026194.db2.gz	JGNSGJDASUBEOH-AYOQOUSVSA-N	1	0	356.470	1.459	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001084664500	915960549	/nfs/dbraw/zinc/96/05/49/915960549.db2.gz	ZGDFTPAKHDSKOK-AKHDSKFASA-N	1	0	366.465	1.315	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2ccc(N3CCOCC3)cc2)CC1	ZINC000730120502	916173000	/nfs/dbraw/zinc/17/30/00/916173000.db2.gz	OKRBAMJQOGAMIQ-UHFFFAOYSA-N	1	0	358.486	1.973	20	30		FDEDRO
C#CCN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1	ZINC000730143795	916186531	/nfs/dbraw/zinc/18/65/31/916186531.db2.gz	VPJNLZNGWGJMEG-OAHLLOKOSA-N	1	0	358.467	1.319	20	30		FDEDRO
CCOc1ccc(N=C2NC(=O)C(CC(=O)NCC[NH+](C)C)S2)cc1	ZINC000730271960	916491803	/nfs/dbraw/zinc/49/18/03/916491803.db2.gz	NSIPLSUSERQPEQ-CQSZACIVSA-N	1	0	364.471	1.372	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cncn4)n3)[C@@H]2C1	ZINC001084747537	916817051	/nfs/dbraw/zinc/81/70/51/916817051.db2.gz	SUIWOMAYDPTPGB-NVXWUHKLSA-N	1	0	352.442	1.775	20	30		FDEDRO
Cn1cncc1CC(=O)N1C[C@H]2CCN(CC#Cc3ccc(F)cc3)C[C@H]21	ZINC001084776251	917008439	/nfs/dbraw/zinc/00/84/39/917008439.db2.gz	QKYOCEDQCMZSPT-YLJYHZDGSA-N	1	0	366.440	1.686	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CCN(CC#Cc4ccccc4)C[C@H]32)C1	ZINC001084773481	917028134	/nfs/dbraw/zinc/02/81/34/917028134.db2.gz	RIJMLNBEYGAQEL-NJDAHSKKSA-N	1	0	351.494	1.913	20	30		FDEDRO
CC(=O)N1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001084785818	917103619	/nfs/dbraw/zinc/10/36/19/917103619.db2.gz	FQMHJISZRKKGKF-HSALFYBXSA-N	1	0	366.465	1.602	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c(c3)C(=O)NC4=O)[C@@H]2C1	ZINC001084783307	917119247	/nfs/dbraw/zinc/11/92/47/917119247.db2.gz	KZUYJTBJHWMYJV-RHSMWYFYSA-N	1	0	353.422	1.683	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)ccc1F	ZINC000730773927	917283362	/nfs/dbraw/zinc/28/33/62/917283362.db2.gz	MEVOEFPIVOTUCP-CYBMUJFWSA-N	1	0	367.446	1.257	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1	ZINC000731126639	917772748	/nfs/dbraw/zinc/77/27/48/917772748.db2.gz	XVPUDLPGLALUOR-SFHVURJKSA-N	1	0	373.453	1.110	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ccoc4C)C[C@@H]32)C1=O	ZINC001084886315	917995721	/nfs/dbraw/zinc/99/57/21/917995721.db2.gz	AKVWPXGFBZEKTE-JQHSSLGASA-N	1	0	357.454	1.911	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3COC(=O)C3)C[C@@H]21	ZINC001084920761	918330260	/nfs/dbraw/zinc/33/02/60/918330260.db2.gz	VEAJYWPTJVFYFI-MDZRGWNJSA-N	1	0	367.449	1.934	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3CC[N@H+](C[C@H]4CCNC(=O)CC4)[C@H]3C2)c[nH]1	ZINC001084925699	918360840	/nfs/dbraw/zinc/36/08/40/918360840.db2.gz	TYYBDEVJISSWIR-RKVPGOIHSA-N	1	0	369.469	1.339	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)CC4(O)CCC4)C[C@@H]32)C1=O	ZINC001084937078	918516680	/nfs/dbraw/zinc/51/66/80/918516680.db2.gz	NLJHXVNXFPXUMQ-ULQDDVLXSA-N	1	0	361.486	1.001	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)C(C)(C)C)C[C@@H]21	ZINC001084947202	918646479	/nfs/dbraw/zinc/64/64/79/918646479.db2.gz	FYVXOABMCNMJOE-SQNIBIBYSA-N	1	0	359.514	1.970	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)Cn4nccn4)C[C@@H]32)s1	ZINC001084949561	918683980	/nfs/dbraw/zinc/68/39/80/918683980.db2.gz	FPJLKGQKWZKTHF-CJNGLKHVSA-N	1	0	356.455	1.334	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(OCC(N)=O)c3)C[C@@H]21	ZINC001084953480	918739009	/nfs/dbraw/zinc/73/90/09/918739009.db2.gz	PEIVUPUNDNSDPL-QAPCUYQASA-N	1	0	357.454	1.663	20	30		FDEDRO
CCN(CC)c1ccc(C=NNC(=S)NCCC[NH+](C)C)c(O)c1	ZINC000731930672	918851589	/nfs/dbraw/zinc/85/15/89/918851589.db2.gz	HFEAWBIGQZEWDZ-UHFFFAOYSA-N	1	0	351.520	1.988	20	30		FDEDRO
CC(=NNC(=S)NCC(N)=O)c1ccc(O)c(C[NH+]2CCCCC2)c1	ZINC000731930286	918853799	/nfs/dbraw/zinc/85/37/99/918853799.db2.gz	VVGPRDKYSGLAQA-UHFFFAOYSA-N	1	0	363.487	1.052	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3c(C)oc4nc[nH]c(=O)c43)C[C@@H]21	ZINC001084958930	918857160	/nfs/dbraw/zinc/85/71/60/918857160.db2.gz	GCIAXTNUSLNFGR-KGLIPLIRSA-N	1	0	354.410	1.797	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCO[C@H]3c3ccnn3CC)C[C@@H]21	ZINC001084962276	918875293	/nfs/dbraw/zinc/87/52/93/918875293.db2.gz	BVTRVFBQIPOBMW-IZBJGVDFSA-N	1	0	370.497	1.927	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4c(C)ncn4C)C[C@@H]32)C1=O	ZINC001084964425	918902979	/nfs/dbraw/zinc/90/29/79/918902979.db2.gz	XMPNFPYCTIEZSU-ULQDDVLXSA-N	1	0	371.485	1.052	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4c[nH]nc4CC)C[C@@H]32)C1=O	ZINC001084979139	919073208	/nfs/dbraw/zinc/07/32/08/919073208.db2.gz	XLJGPBCZACKNNA-QGTPRVQTSA-N	1	0	371.485	1.295	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3OCC(N)=O)C[C@@H]21	ZINC001084984675	919176316	/nfs/dbraw/zinc/17/63/16/919176316.db2.gz	MVFYPLAVTAFFMF-WBVHZDCISA-N	1	0	355.438	1.110	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cnc4cc(OC)ccn43)C[C@@H]21	ZINC001084989426	919259072	/nfs/dbraw/zinc/25/90/72/919259072.db2.gz	XKZIKLXJOXEQAY-QAPCUYQASA-N	1	0	352.438	1.903	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3COCCN3CC3CCC3)C[C@@H]21	ZINC001084998496	919386782	/nfs/dbraw/zinc/38/67/82/919386782.db2.gz	QAAFAWFNJPTHKU-HSALFYBXSA-N	1	0	361.530	1.986	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](CCN4CCNC4=O)[C@H]3C2)cc1	ZINC001085003543	919524022	/nfs/dbraw/zinc/52/40/22/919524022.db2.gz	WBYZATVFSXTOCC-MJGOQNOKSA-N	1	0	366.465	1.230	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3(n4cnnn4)CCCCC3)C[C@@H]21	ZINC001085003843	919530032	/nfs/dbraw/zinc/53/00/32/919530032.db2.gz	UYFZZQSKGLNKNP-SJORKVTESA-N	1	0	356.474	1.279	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3(n4cnnn4)CCCCC3)C[C@@H]21	ZINC001085003777	919530415	/nfs/dbraw/zinc/53/04/15/919530415.db2.gz	PPSVZZJEKGIBSF-SJORKVTESA-N	1	0	358.490	1.831	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN(C(C)(C)C)C3=O)C[C@@H]21	ZINC001085013749	919645729	/nfs/dbraw/zinc/64/57/29/919645729.db2.gz	DSONJWBGRLSNBN-SQNIBIBYSA-N	1	0	359.514	1.970	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN(CC(F)F)C3)C[C@@H]21	ZINC001085018748	919715165	/nfs/dbraw/zinc/71/51/65/919715165.db2.gz	OGQVCESYLPUQEW-IKGGRYGDSA-N	1	0	353.457	1.910	20	30		FDEDRO
NC(=O)C1(C(=O)N2CC[C@H]3CC[N@H+](CC#Cc4ccccc4)[C@H]3C2)CC1	ZINC001085021765	919764100	/nfs/dbraw/zinc/76/41/00/919764100.db2.gz	ZSXBTLLYKGTISA-MSOLQXFVSA-N	1	0	351.450	1.226	20	30		FDEDRO
C#Cc1ccc(C(=O)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)cn1	ZINC000732763461	920040106	/nfs/dbraw/zinc/04/01/06/920040106.db2.gz	DSUWBMIZRBXPMB-UHFFFAOYSA-N	1	0	350.422	1.284	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CC[C@H]3CC[N@H+](C[C@H]4CCOC4)[C@H]3C2)nn1	ZINC001085053449	920125555	/nfs/dbraw/zinc/12/55/55/920125555.db2.gz	VXBCPZCYCWYPRI-NUJGCVRESA-N	1	0	359.474	1.427	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3ccnn3C)[C@H]2C1	ZINC001085054466	920167187	/nfs/dbraw/zinc/16/71/87/920167187.db2.gz	FUDYKOALCWCBKN-BVBHFADKSA-N	1	0	358.486	1.824	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn4nc(C)cc4[nH]c3=O)C[C@@H]21	ZINC001085056446	920200296	/nfs/dbraw/zinc/20/02/96/920200296.db2.gz	CXDXGAQLQFIEQN-WBVHZDCISA-N	1	0	369.469	1.834	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4c(C)n[nH]c4C)C[C@@H]32)C1=O	ZINC001085058204	920226072	/nfs/dbraw/zinc/22/60/72/920226072.db2.gz	BGRXHQFDJGLWNP-ULQDDVLXSA-N	1	0	371.485	1.350	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ccnc(C)c4)C[C@@H]32)C1=O	ZINC001085060217	920250634	/nfs/dbraw/zinc/25/06/34/920250634.db2.gz	LULYEFRPSGUACZ-UHOSZYNNSA-N	1	0	368.481	1.713	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)c4ccccc43)C[C@@H]21	ZINC001085060283	920250857	/nfs/dbraw/zinc/25/08/57/920250857.db2.gz	QCKAJGGXDOTFJS-LZQZEXGQSA-N	1	0	351.450	1.807	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccnc4nc(C)nn43)C[C@@H]21	ZINC001085074011	920521005	/nfs/dbraw/zinc/52/10/05/920521005.db2.gz	DWHWNPCVPLEYGK-WBVHZDCISA-N	1	0	354.458	1.935	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)CN3Cc4ccccc4C3=O)C[C@@H]21	ZINC001085077743	920582409	/nfs/dbraw/zinc/58/24/09/920582409.db2.gz	AXKPXZIYJYBXPT-APWZRJJASA-N	1	0	351.450	1.589	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1Cn1c(C)cc(C=NNCCS(C)(=O)=O)c1C	ZINC000733206092	920824573	/nfs/dbraw/zinc/82/45/73/920824573.db2.gz	WFOYOFNONLWQEF-QGZVFWFLSA-N	1	0	354.520	1.557	20	30		FDEDRO
C=C(Cl)CN1CC[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@@H]21	ZINC001085094276	920853915	/nfs/dbraw/zinc/85/39/15/920853915.db2.gz	NAPHFPHOUPLEKD-OIISXLGYSA-N	1	0	355.910	1.630	20	30		FDEDRO
C=C(Cl)CN1CC[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@@H]21	ZINC001085094277	920854840	/nfs/dbraw/zinc/85/48/40/920854840.db2.gz	NAPHFPHOUPLEKD-UAGQMJEPSA-N	1	0	355.910	1.630	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(Cc4ncc(C)o4)[C@H]3C2)CC1	ZINC001085100675	920915425	/nfs/dbraw/zinc/91/54/25/920915425.db2.gz	WHNXOLAEWUJJSB-MJGOQNOKSA-N	1	0	370.497	1.751	20	30		FDEDRO
COc1cccc(-c2n[nH]cc2C[NH2+]CCNC(=O)C2N=CC=CC2=O)c1	ZINC000733333076	920988879	/nfs/dbraw/zinc/98/88/79/920988879.db2.gz	HNOBJWNBHAMILW-VHEBQXMUSA-N	1	0	367.409	1.701	20	30		FDEDRO
C[C@H]1CCCCN1C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC001085164099	921912675	/nfs/dbraw/zinc/91/26/75/921912675.db2.gz	PWGKLBDWVHDOJL-USXIJHARSA-N	1	0	371.485	1.918	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C(N)=O)cc2)[nH]1	ZINC001085173940	921969989	/nfs/dbraw/zinc/96/99/89/921969989.db2.gz	PHPFAQHOIOQDRA-IAGOWNOFSA-N	1	0	365.437	1.816	20	30		FDEDRO
C[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1)n1cncn1	ZINC001085175393	921999375	/nfs/dbraw/zinc/99/93/75/921999375.db2.gz	OEMHMFQSBPNJTD-DAXOMENPSA-N	1	0	358.471	1.989	20	30		FDEDRO
C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N)n1cncn1	ZINC001085175636	922000351	/nfs/dbraw/zinc/00/03/51/922000351.db2.gz	WJGQBYNLPVXZSZ-BMGDILEWSA-N	1	0	352.442	1.928	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CN(C(C)=O)C1	ZINC001085181789	922039401	/nfs/dbraw/zinc/03/94/01/922039401.db2.gz	RWWRWCZNPNXQEJ-ZIAGYGMSSA-N	1	0	358.280	1.390	20	30		FDEDRO
C#CCOCCC(=O)N[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1	ZINC001066172140	922576327	/nfs/dbraw/zinc/57/63/27/922576327.db2.gz	DHRFCZLDZBCUOT-OKZBNKHCSA-N	1	0	363.502	1.254	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cn(CC)nn1	ZINC001085201567	922662829	/nfs/dbraw/zinc/66/28/29/922662829.db2.gz	NLRGAGRJGAERFU-TVFCKZIOSA-N	1	0	361.490	1.796	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cncc(OC)n1	ZINC001085201558	922662913	/nfs/dbraw/zinc/66/29/13/922662913.db2.gz	MRNDPZMKEQLOOF-TVFCKZIOSA-N	1	0	374.485	1.983	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnc(OC)n1	ZINC001085202860	922673635	/nfs/dbraw/zinc/67/36/35/922673635.db2.gz	ASOURVWSUJYSBG-TVFCKZIOSA-N	1	0	374.485	1.983	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(OC)no1	ZINC001085229813	922983679	/nfs/dbraw/zinc/98/36/79/922983679.db2.gz	LREABNXDVUZSKZ-ZACQAIPSSA-N	1	0	360.458	1.298	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001085230609	922991928	/nfs/dbraw/zinc/99/19/28/922991928.db2.gz	GLRFXIHJRDGFOP-PIKADFDJSA-N	1	0	357.454	1.879	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000734277945	923157285	/nfs/dbraw/zinc/15/72/85/923157285.db2.gz	NHFXPDCUODRECO-GOSISDBHSA-N	1	0	370.497	1.666	20	30		FDEDRO
CCN1CCOC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001085252098	923206568	/nfs/dbraw/zinc/20/65/68/923206568.db2.gz	VSBVZLVTYDNMAC-AQNXPRMDSA-N	1	0	370.497	1.796	20	30		FDEDRO
N#CCSc1ccccc1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000734467343	923329321	/nfs/dbraw/zinc/32/93/21/923329321.db2.gz	JSMWWKJFQOYICU-INIZCTEOSA-N	1	0	374.510	1.439	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCNC(=O)CC2)cc1	ZINC001085286278	923528967	/nfs/dbraw/zinc/52/89/67/923528967.db2.gz	ZKZYCURTHPGESC-GUDVDZBRSA-N	1	0	368.481	1.992	20	30		FDEDRO
Cn1c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)c[nH]c1=O	ZINC001085297259	923626706	/nfs/dbraw/zinc/62/67/06/923626706.db2.gz	XVNDVVNGERPYQN-HZPDHXFCSA-N	1	0	353.426	1.828	20	30		FDEDRO
Cn1c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(F)c(C#N)c2)c[nH]c1=O	ZINC001085297237	923626784	/nfs/dbraw/zinc/62/67/84/923626784.db2.gz	UVTHYTVFTWIBFX-HZPDHXFCSA-N	1	0	371.416	1.967	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2nnn(C)c2C1	ZINC001085311831	923724339	/nfs/dbraw/zinc/72/43/39/923724339.db2.gz	ATMXIZDDMRHKIH-BFHYXJOUSA-N	1	0	351.882	1.690	20	30		FDEDRO
Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)s2)[nH]c1=O	ZINC001085320779	923851057	/nfs/dbraw/zinc/85/10/57/923851057.db2.gz	PHBSOPZBCNNBCS-ZIAGYGMSSA-N	1	0	359.455	1.890	20	30		FDEDRO
Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(F)ccc2C#N)[nH]c1=O	ZINC001085320859	923852988	/nfs/dbraw/zinc/85/29/88/923852988.db2.gz	UHFDTONVBAQKIO-HZPDHXFCSA-N	1	0	371.416	1.967	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2occc2C)C1=O	ZINC001085325589	923915599	/nfs/dbraw/zinc/91/55/99/923915599.db2.gz	VRESJGKDHFYVNH-ZACQAIPSSA-N	1	0	359.470	1.934	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H](C)c2nncn2C)c1	ZINC001085326077	923916880	/nfs/dbraw/zinc/91/68/80/923916880.db2.gz	VBCLXQFYJFZIRR-IAOVAPTHSA-N	1	0	352.442	1.583	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnoc2CC)C1=O	ZINC001085349853	924099643	/nfs/dbraw/zinc/09/96/43/924099643.db2.gz	BLRFIVGFULMRIV-BZUAXINKSA-N	1	0	360.458	1.655	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCc2cnn(C)c2)nn1	ZINC001085356924	924180750	/nfs/dbraw/zinc/18/07/50/924180750.db2.gz	VGYLYEYWPDRPEQ-HZPDHXFCSA-N	1	0	357.462	1.071	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCn1cncn1	ZINC001085357779	924190728	/nfs/dbraw/zinc/19/07/28/924190728.db2.gz	PHLKJXOABDIMFJ-MLHJIOFPSA-N	1	0	361.490	1.666	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCC(=O)N1	ZINC001085361381	924231261	/nfs/dbraw/zinc/23/12/61/924231261.db2.gz	YXXSMWGGCRPJCQ-JHJVBQTASA-N	1	0	358.280	1.581	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC1	ZINC001066247853	924351861	/nfs/dbraw/zinc/35/18/61/924351861.db2.gz	QKFHAYXPUBMCJM-ZACQAIPSSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cn(CC)cn2)C1=O	ZINC001085395609	924433854	/nfs/dbraw/zinc/43/38/54/924433854.db2.gz	UBVSUZABUAFWRC-OAGGEKHMSA-N	1	0	359.474	1.321	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nccn1C	ZINC001085397816	924445165	/nfs/dbraw/zinc/44/51/65/924445165.db2.gz	YQCOJLNSKRSOKV-IAGOWNOFSA-N	1	0	367.453	1.658	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnnn2CC)cn1	ZINC001085398881	924450135	/nfs/dbraw/zinc/45/01/35/924450135.db2.gz	FYZZBVOXSXDMQA-QZTJIDSGSA-N	1	0	352.442	1.505	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)CCC1=O	ZINC001085417299	924570058	/nfs/dbraw/zinc/57/00/58/924570058.db2.gz	RNEDMTOBSXSWSR-IAGOWNOFSA-N	1	0	368.437	1.224	20	30		FDEDRO
CCN1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001085429598	924645075	/nfs/dbraw/zinc/64/50/75/924645075.db2.gz	YUABQACTOPDUFX-VAMGGRTRSA-N	1	0	370.497	1.796	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC1	ZINC000735968310	924709679	/nfs/dbraw/zinc/70/96/79/924709679.db2.gz	QEJJDOHLNXYEFT-OAHLLOKOSA-N	1	0	373.453	1.858	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+]CCNS(=O)(=O)Cc3ccccc3)n2c1	ZINC000736639335	924863372	/nfs/dbraw/zinc/86/33/72/924863372.db2.gz	RDPWFZWKMBKWDK-UHFFFAOYSA-N	1	0	369.450	1.415	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC1	ZINC001066275508	924905689	/nfs/dbraw/zinc/90/56/89/924905689.db2.gz	KKFOINHUWQRVHR-BBWFWOEESA-N	1	0	365.518	1.805	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCN1CCn1cc(Cl)cn1	ZINC001085827125	925256978	/nfs/dbraw/zinc/25/69/78/925256978.db2.gz	IYIJYPKGZNLVMI-XHSDSOJGSA-N	1	0	352.866	1.660	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c(F)c1	ZINC000739964439	925318012	/nfs/dbraw/zinc/31/80/12/925318012.db2.gz	VTFMIDABEFFWNW-OAHLLOKOSA-N	1	0	367.446	1.619	20	30		FDEDRO
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000739916295	925322785	/nfs/dbraw/zinc/32/27/85/925322785.db2.gz	XCOPFBKRFSLRSA-LJQANCHMSA-N	1	0	370.453	1.012	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)Cc2csc(N3CCCC3=O)n2)CC1	ZINC000740736310	925419776	/nfs/dbraw/zinc/41/97/76/925419776.db2.gz	NPUABMACNWKPOE-UHFFFAOYSA-N	1	0	360.483	1.416	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cnn3c2[nH]c(=O)c2ccccc23)CC1	ZINC000740737249	925420734	/nfs/dbraw/zinc/42/07/34/925420734.db2.gz	HNRLOEJNFFGUMM-UHFFFAOYSA-N	1	0	363.421	1.393	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CSCC(=O)Nc2cc(C)on2)CC1	ZINC000740737203	925421129	/nfs/dbraw/zinc/42/11/29/925421129.db2.gz	DXMWRXLPIMLONH-UHFFFAOYSA-N	1	0	364.471	1.259	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CNC(=O)c2ccccc2OCC)CC1	ZINC000740748587	925434215	/nfs/dbraw/zinc/43/42/15/925434215.db2.gz	QQDFCDRSGCPZDH-UHFFFAOYSA-N	1	0	357.454	1.419	20	30		FDEDRO
C[N@@H+]1C[C@H](C(=O)NC[C@]2(C)CN(CC#N)CCO2)[C@@H](c2ccccc2)C1	ZINC001108231294	925709948	/nfs/dbraw/zinc/70/99/48/925709948.db2.gz	QRIHETNNLVYIEH-WSTZPKSXSA-N	1	0	356.470	1.062	20	30		FDEDRO
C#Cc1cncc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C3)c1	ZINC001006278209	925779428	/nfs/dbraw/zinc/77/94/28/925779428.db2.gz	COGHFNDAMATQHF-PIKADFDJSA-N	1	0	366.465	1.409	20	30		FDEDRO
C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CC[C@@H]([NH+]3CC=CC3)C2)C1=O	ZINC000742163850	925945325	/nfs/dbraw/zinc/94/53/25/925945325.db2.gz	WROZCPQRUNBEJJ-YLJYHZDGSA-N	1	0	365.437	1.229	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3cccc(F)c3C#N)CC2)C1	ZINC000742296476	926005338	/nfs/dbraw/zinc/00/53/38/926005338.db2.gz	PKQHDGWCHRMHOY-AWEZNQCLSA-N	1	0	366.462	1.098	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)C1	ZINC001086202694	926289784	/nfs/dbraw/zinc/28/97/84/926289784.db2.gz	MJSFPWDSGLERCI-RJEZFDHBSA-N	1	0	362.445	1.935	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nnc(C(C)C)[nH]2)C1	ZINC001086223544	926340711	/nfs/dbraw/zinc/34/07/11/926340711.db2.gz	VCVHJTAIBHRMDO-IVSAIRAKSA-N	1	0	361.490	1.894	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC1	ZINC001066456757	926387837	/nfs/dbraw/zinc/38/78/37/926387837.db2.gz	RYTUYOUAFKHOCK-ZACQAIPSSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC	ZINC000743783784	926461531	/nfs/dbraw/zinc/46/15/31/926461531.db2.gz	GNNBTSPLUWISIW-IBGZPJMESA-N	1	0	370.497	1.873	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1	ZINC000743898956	926498260	/nfs/dbraw/zinc/49/82/60/926498260.db2.gz	LOCRLSPGSRMHIL-AWEZNQCLSA-N	1	0	361.417	1.623	20	30		FDEDRO
CC[NH+](CC)CCN1c2ccccc2C(=NNc2nc(C)cc(=O)[nH]2)C1=O	ZINC000744516601	926719120	/nfs/dbraw/zinc/71/91/20/926719120.db2.gz	PMLGHEXCROODOY-UHFFFAOYSA-N	1	0	368.441	1.995	20	30		FDEDRO
C=C(C)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)CC1	ZINC001098427727	926813233	/nfs/dbraw/zinc/81/32/33/926813233.db2.gz	SDFVGJJLFVLRRH-RBUKOAKNSA-N	1	0	350.503	1.911	20	30		FDEDRO
C=C(Cl)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1	ZINC001098431910	927036534	/nfs/dbraw/zinc/03/65/34/927036534.db2.gz	BYXKYDADBVDVRU-ALYAQQCSSA-N	1	0	354.878	1.448	20	30		FDEDRO
C#CCCCNC(=O)N1CCC(C(=O)NCCC[NH+](CC)CC)CC1	ZINC000745899810	927474684	/nfs/dbraw/zinc/47/46/84/927474684.db2.gz	LHTDTGJHQGBZIX-UHFFFAOYSA-N	1	0	350.507	1.670	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccnc(OC)n2)C1	ZINC001086503794	927710955	/nfs/dbraw/zinc/71/09/55/927710955.db2.gz	NSFHJDBGVORNRT-HJWJTTGWSA-N	1	0	360.458	1.451	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)[NH+]1CCC(C)CC1	ZINC000746353807	927899538	/nfs/dbraw/zinc/89/95/38/927899538.db2.gz	JKDKVFHCEALMSE-MRXNPFEDSA-N	1	0	360.462	1.218	20	30		FDEDRO
CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)Nc3cnn(CC#N)c3)C2)CC1	ZINC000746383985	927932765	/nfs/dbraw/zinc/93/27/65/927932765.db2.gz	DTLGZEFMPCJPGB-MRXNPFEDSA-N	1	0	372.473	1.316	20	30		FDEDRO
C=C(C)C(=O)NCCC[NH2+][C@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1	ZINC001168903029	928173078	/nfs/dbraw/zinc/17/30/78/928173078.db2.gz	WQEUYSMSRBROLC-KRWDZBQOSA-N	1	0	359.470	1.858	20	30		FDEDRO
C=CCN1CCC[C@H]([NH2+][C@@H]2CCN(Cc3ccc(OC)cc3)C(=O)C2)C1=O	ZINC001168910231	928177080	/nfs/dbraw/zinc/17/70/80/928177080.db2.gz	UKHIYLKAZGQZQP-MJGOQNOKSA-N	1	0	371.481	1.953	20	30		FDEDRO
N#Cc1c2c(cn(CN3CCC(C[NH+]4CCOCC4)CC3)c1=O)CCC2	ZINC000766611678	928324539	/nfs/dbraw/zinc/32/45/39/928324539.db2.gz	GIRGJYVOJQVOFO-UHFFFAOYSA-N	1	0	356.470	1.210	20	30		FDEDRO
C[C@H]1CN(Cn2cc3c(c(C#N)c2=O)CCC3)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000766631361	928360864	/nfs/dbraw/zinc/36/08/64/928360864.db2.gz	GDZPYTKPOVTSMT-OXJNMPFZSA-N	1	0	369.513	1.124	20	30		FDEDRO
CC(=O)N1CCC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3C#N)CC2)C1	ZINC001169588724	928796278	/nfs/dbraw/zinc/79/62/78/928796278.db2.gz	LKJDMOJGMAYREZ-GOSISDBHSA-N	1	0	354.454	1.763	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ncccc2F)[C@@H](n2ccnn2)C1	ZINC001129342063	928852846	/nfs/dbraw/zinc/85/28/46/928852846.db2.gz	ASFXWZKIOJIMGL-IMJJTQAJSA-N	1	0	358.421	1.822	20	30		FDEDRO
C=CCN(C)CC[N@@H+](CC)CCN1CCN(C(=O)OC(C)(C)C)CC1	ZINC001169843698	928928148	/nfs/dbraw/zinc/92/81/48/928928148.db2.gz	HZYFUPHFWUPOEO-UHFFFAOYSA-N	1	0	354.539	1.979	20	30		FDEDRO
C=CCN1CC[C@@]2(CCC[N@@H+](C3CCC(S(C)(=O)=O)CC3)C2)C1=O	ZINC001169882364	928941477	/nfs/dbraw/zinc/94/14/77/928941477.db2.gz	MDBICVGKMSODFG-LEOMRAHMSA-N	1	0	354.516	1.843	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)C2(CC)CCOCC2)[C@@H](n2ccnn2)C1	ZINC001129353623	929013186	/nfs/dbraw/zinc/01/31/86/929013186.db2.gz	XIXSCNSSVWRVKZ-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)C(C2CC2)C2CC2)[C@@H](n2ccnn2)C1	ZINC001129375540	929616981	/nfs/dbraw/zinc/61/69/81/929616981.db2.gz	CTHOCRILWFPDPI-SJORKVTESA-N	1	0	359.474	1.258	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C(F)F)nn1C)C2	ZINC001109514329	929636235	/nfs/dbraw/zinc/63/62/35/929636235.db2.gz	DEGIZJWQBQTFGH-DYEKYZERSA-N	1	0	354.401	1.895	20	30		FDEDRO
CN(CCC1CC[NH+](CC(=O)NCCC#N)CC1)C(=O)OC(C)(C)C	ZINC000769945316	929746036	/nfs/dbraw/zinc/74/60/36/929746036.db2.gz	FYJYXJRKIQAMRW-UHFFFAOYSA-N	1	0	352.479	1.985	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CCN(C(=O)OCc3ccccc3)C2)CC1	ZINC000770207472	929929410	/nfs/dbraw/zinc/92/94/10/929929410.db2.gz	YRPGJTXXMXJEBF-QGZVFWFLSA-N	1	0	370.453	1.749	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC[C@H]1C)C2	ZINC001109717286	930198371	/nfs/dbraw/zinc/19/83/71/930198371.db2.gz	JNESXAVGGFZCCG-YRXWBPOGSA-N	1	0	374.529	1.393	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)CCN1C(=O)NC2(CCCC2)C1=O	ZINC000770801243	930265334	/nfs/dbraw/zinc/26/53/34/930265334.db2.gz	FVRVUMCPCBMVDT-HNNXBMFYSA-N	1	0	363.458	1.518	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cnnc3)cc1)C2	ZINC001109838291	930547815	/nfs/dbraw/zinc/54/78/15/930547815.db2.gz	BQVLEZTZLXFLQC-QYZOEREBSA-N	1	0	367.453	1.805	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CCCC#N)C[C@H]1C(=O)N1CCSC1	ZINC001170026491	930634323	/nfs/dbraw/zinc/63/43/23/930634323.db2.gz	NOJSJDFODLXVCN-KBPBESRZSA-N	1	0	368.503	1.791	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CCCC)c1C)C2	ZINC001109953461	930865392	/nfs/dbraw/zinc/86/53/92/930865392.db2.gz	LLUVVCUWBAPRGN-NJAFHUGGSA-N	1	0	373.501	1.629	20	30		FDEDRO
COC(=O)C1=NOC2(C1)CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2	ZINC000771778842	930879521	/nfs/dbraw/zinc/87/95/21/930879521.db2.gz	IWPBQYUIQOVHCA-SUMWQHHRSA-N	1	0	364.446	1.213	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3nccs3)c1)C2	ZINC001109961888	930895166	/nfs/dbraw/zinc/89/51/66/930895166.db2.gz	IYHMLNKYBCSLQA-PMPSAXMXSA-N	1	0	373.482	1.867	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOC[C@H]2CCCO2)cn1	ZINC001110001303	931011389	/nfs/dbraw/zinc/01/13/89/931011389.db2.gz	VXSQDOVMWPHFSS-ZRNYENFQSA-N	1	0	369.465	1.594	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)NCCOc2cccc(C)c2)CC1	ZINC000772110680	931080269	/nfs/dbraw/zinc/08/02/69/931080269.db2.gz	WFDUBVKLOFPWPG-QGZVFWFLSA-N	1	0	372.465	1.767	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCc2cn3cccc(C(=O)OC)c3n2)CC1	ZINC000772113742	931081170	/nfs/dbraw/zinc/08/11/70/931081170.db2.gz	RLHOQJSNSQFNSO-UHFFFAOYSA-N	1	0	355.394	1.509	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)S(=O)(=O)CC)C2	ZINC001112555695	931559526	/nfs/dbraw/zinc/55/95/26/931559526.db2.gz	GJGNLPGAIHOIEK-RDJZCZTQSA-N	1	0	357.520	1.062	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CCCS(=O)(=O)C1)C2	ZINC001112558494	931578494	/nfs/dbraw/zinc/57/84/94/931578494.db2.gz	KFPGWFHMHWDGOI-AOIWGVFYSA-N	1	0	368.543	1.996	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnn3ccc(C)nc13)C2	ZINC001112564773	931609452	/nfs/dbraw/zinc/60/94/52/931609452.db2.gz	PSGCQLSZCKAMJS-JXFKEZNVSA-N	1	0	351.454	1.893	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCOC)C1	ZINC001112565240	931611508	/nfs/dbraw/zinc/61/15/08/931611508.db2.gz	QWFMTQRTAFZQCV-UWJYYQICSA-N	1	0	371.481	1.962	20	30		FDEDRO
C[C@H](CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1)n1cccc1	ZINC001112565586	931613645	/nfs/dbraw/zinc/61/36/45/931613645.db2.gz	JEUNQOCIMOMVRS-UWVAXJGDSA-N	1	0	371.485	1.297	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1nc(C)ccc1=O)C2	ZINC001112566880	931637066	/nfs/dbraw/zinc/63/70/66/931637066.db2.gz	HGNBGKOGIAPAOD-PXNSSMCTSA-N	1	0	358.486	1.736	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1	ZINC001112569988	931663678	/nfs/dbraw/zinc/66/36/78/931663678.db2.gz	YKNATSOUQDOYPU-UNMCSNQZSA-N	1	0	370.493	1.438	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCNC(=O)c1ccco1)C2	ZINC001112575158	931700335	/nfs/dbraw/zinc/70/03/35/931700335.db2.gz	VIWUIZUCFDBJNE-JXFKEZNVSA-N	1	0	357.454	1.641	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(CNC(N)=O)cc1)C2	ZINC001112575930	931707041	/nfs/dbraw/zinc/70/70/41/931707041.db2.gz	KWCCZUYIMVSNIY-RXVVDRJESA-N	1	0	368.481	1.710	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c(C)nn3cccnc13)C2	ZINC001112580694	931728181	/nfs/dbraw/zinc/72/81/81/931728181.db2.gz	ZLXXGTGFUKCKBC-JXFKEZNVSA-N	1	0	351.454	1.893	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3c[nH]nc3C1)C2	ZINC001112583017	931751232	/nfs/dbraw/zinc/75/12/32/931751232.db2.gz	ZAHOSXDQCIFPDK-MMOPVJDHSA-N	1	0	370.497	1.383	20	30		FDEDRO
C=C[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC)C1)c1ccccc1	ZINC001112583560	931754533	/nfs/dbraw/zinc/75/45/33/931754533.db2.gz	YFEGOJKCBGPOFK-UEXGIBASSA-N	1	0	355.482	1.921	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCn1cccc1)C2	ZINC001112583815	931757798	/nfs/dbraw/zinc/75/77/98/931757798.db2.gz	KVXDKNPSHOKXPU-PXNSSMCTSA-N	1	0	371.485	1.126	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CS(=O)(=O)CCCC)C2	ZINC001112586877	931778770	/nfs/dbraw/zinc/77/87/70/931778770.db2.gz	VCRQJIKXLOVHGR-WMZOPIPTSA-N	1	0	354.516	1.443	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nnc(CC)o2)C1	ZINC001112589011	931801324	/nfs/dbraw/zinc/80/13/24/931801324.db2.gz	HEKYLLUKMQCKDZ-VCBZYWHSSA-N	1	0	362.474	1.941	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCCC2=O)C1	ZINC001112589568	931807252	/nfs/dbraw/zinc/80/72/52/931807252.db2.gz	GRYRPGIUQSTJKZ-ZWOKBUDYSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCc2ccnn2C)C1	ZINC001112589704	931807678	/nfs/dbraw/zinc/80/76/78/931807678.db2.gz	NBIYXCJVTBMAQW-UWVAXJGDSA-N	1	0	360.502	1.772	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cn(CC)nn2)C1	ZINC001112589900	931807877	/nfs/dbraw/zinc/80/78/77/931807877.db2.gz	VETQSPSFISZUQG-BXWFABGCSA-N	1	0	361.490	1.607	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)C1CCOCC1)C2	ZINC001112593562	931853260	/nfs/dbraw/zinc/85/32/60/931853260.db2.gz	VFMKOJAKPLFFHX-CUWPLCDZSA-N	1	0	362.514	1.917	20	30		FDEDRO
COc1ccc(N2CC[NH+](C[C@H](O)CN3CC[C@](F)(C#N)C3)CC2)cc1	ZINC000786434822	931915632	/nfs/dbraw/zinc/91/56/32/931915632.db2.gz	AAVYHRAGIVLOFL-HKUYNNGSSA-N	1	0	362.449	1.116	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)COC(=O)CC[N@@H+]1CCc2ccccc2C1	ZINC000786813739	932049830	/nfs/dbraw/zinc/04/98/30/932049830.db2.gz	AAJBCSVFDRZDDU-INIZCTEOSA-N	1	0	357.454	1.986	20	30		FDEDRO
N#Cc1cc(C(=O)OCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c[nH]1	ZINC000786903419	932084212	/nfs/dbraw/zinc/08/42/12/932084212.db2.gz	LYAMXQQWMWQKCK-UHFFFAOYSA-N	1	0	366.421	1.955	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC2(CO)CCN(c3ncccc3C#N)CC2)CC[N@@H+]1C	ZINC001112679419	932171428	/nfs/dbraw/zinc/17/14/28/932171428.db2.gz	ICASLFWVIUMHNU-DLBZAZTESA-N	1	0	371.485	1.131	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCCO1	ZINC000787289402	932245385	/nfs/dbraw/zinc/24/53/85/932245385.db2.gz	HDMXJLAUEKVSJL-OALUTQOASA-N	1	0	369.465	1.196	20	30		FDEDRO
COc1ccc(CNC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1C#N	ZINC000746706007	932365895	/nfs/dbraw/zinc/36/58/95/932365895.db2.gz	UFUOPXCXKOOBKX-HUUCEWRRSA-N	1	0	360.458	1.865	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)NC[C@H](C)[NH+]3CCCCC3)CC2)c1C#N	ZINC000788105204	932539737	/nfs/dbraw/zinc/53/97/37/932539737.db2.gz	NHLAPZZAFHHYQX-HNNXBMFYSA-N	1	0	373.505	1.306	20	30		FDEDRO
N#CCCn1cc(CNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(-c2ccncc2)n1	ZINC000788512709	932720060	/nfs/dbraw/zinc/72/00/60/932720060.db2.gz	MZCASFGCPWWXKF-RBUKOAKNSA-N	1	0	366.469	1.812	20	30		FDEDRO
N#CCCn1cc(C[NH2+]CCS(=O)(=O)CC2CC2)c(-c2ccncc2)n1	ZINC000788523240	932722885	/nfs/dbraw/zinc/72/28/85/932722885.db2.gz	IIILRYVKVRLIHQ-UHFFFAOYSA-N	1	0	373.482	1.773	20	30		FDEDRO
COC(=O)CC[NH+]1CCC(=NNC(=S)NCCc2cccs2)CC1	ZINC000788710310	932789946	/nfs/dbraw/zinc/78/99/46/932789946.db2.gz	WMENCTUWXZRMAX-UHFFFAOYSA-N	1	0	368.528	1.770	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCCO1	ZINC000789662343	933135570	/nfs/dbraw/zinc/13/55/70/933135570.db2.gz	UKMPJRCYPHTZIV-GBESFXJTSA-N	1	0	369.465	1.064	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCCO1	ZINC000789662341	933135891	/nfs/dbraw/zinc/13/58/91/933135891.db2.gz	UKMPJRCYPHTZIV-CEXWTWQISA-N	1	0	369.465	1.064	20	30		FDEDRO
C=CCN(C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1)C(C)C	ZINC000789705283	933155742	/nfs/dbraw/zinc/15/57/42/933155742.db2.gz	CUCJFANBMCZIGG-UHFFFAOYSA-N	1	0	353.532	1.887	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn(CCOC)nn2)C1	ZINC001086587913	933581585	/nfs/dbraw/zinc/58/15/85/933581585.db2.gz	UMNHPAKTHOOQRK-ZWKOTPCHSA-N	1	0	369.469	1.698	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cccc(C)c2=O)C1	ZINC001086588522	933610713	/nfs/dbraw/zinc/61/07/13/933610713.db2.gz	ZFVTXSNXGJQMCQ-VQTJNVASSA-N	1	0	363.461	1.764	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1	ZINC001086591423	933768478	/nfs/dbraw/zinc/76/84/78/933768478.db2.gz	LELMCHZEBLTLGV-CEXWTWQISA-N	1	0	371.481	1.252	20	30		FDEDRO
C=CC[C@@]1(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)CCCN1C(=O)OC(C)(C)C	ZINC000790891696	933773882	/nfs/dbraw/zinc/77/38/82/933773882.db2.gz	AKZSIJXSKIDCST-MOPGFXCFSA-N	1	0	367.490	1.515	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2nc3ncc(C)cn3n2)C1	ZINC001086594066	933878265	/nfs/dbraw/zinc/87/82/65/933878265.db2.gz	CSBJDSZQCGRHQF-DLBZAZTESA-N	1	0	362.437	1.817	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)C1	ZINC001086594911	933898570	/nfs/dbraw/zinc/89/85/70/933898570.db2.gz	AKWAMORJPXPXRH-PKOBYXMFSA-N	1	0	364.449	1.493	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2COCCN2CC)C1	ZINC001086596062	933926540	/nfs/dbraw/zinc/92/65/40/933926540.db2.gz	ITLJAWPNWMBHKT-ZCNNSNEGSA-N	1	0	357.498	1.867	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NCc1cccc(C[N@@H+](C)CC)c1	ZINC000793871940	938332033	/nfs/dbraw/zinc/33/20/33/938332033.db2.gz	UTSLVQBRPPHIIO-UHFFFAOYSA-N	1	0	368.275	1.779	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc(Cl)no2)[C@@H](n2ccnn2)C1	ZINC001129397881	938403178	/nfs/dbraw/zinc/40/31/78/938403178.db2.gz	ZSFAAAJCKNBCIH-NEPJUHHUSA-N	1	0	350.810	1.541	20	30		FDEDRO
C=C(C)CN1C[C@@H](NC(=O)[C@H](C)Oc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129411618	938406712	/nfs/dbraw/zinc/40/67/12/938406712.db2.gz	AMMHEAGQPHWCEQ-JQHSSLGASA-N	1	0	355.442	1.663	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](NC(=O)CCCc2ccccn2)[C@@H](n2ccnn2)C1	ZINC001129404105	938417205	/nfs/dbraw/zinc/41/72/05/938417205.db2.gz	KIRAYTINEQYBCS-MSOLQXFVSA-N	1	0	354.458	1.614	20	30		FDEDRO
C#CCNc1nc(NC[C@]2(C)CCOC2)[nH+]c(NC[C@]2(C)CCOC2)n1	ZINC000804452485	938437192	/nfs/dbraw/zinc/43/71/92/938437192.db2.gz	GZHWZNZAPDJQCU-ROUUACIJSA-N	1	0	360.462	1.594	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](OC)C2CCCCC2)[C@@H](n2ccnn2)C1	ZINC001129502893	938437578	/nfs/dbraw/zinc/43/75/78/938437578.db2.gz	GKFHHVXMJGXMJO-FGTMMUONSA-N	1	0	361.490	1.791	20	30		FDEDRO
CCC(=O)N1C[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)[C@@H](n2ccnn2)C1	ZINC001129503125	938437651	/nfs/dbraw/zinc/43/76/51/938437651.db2.gz	MDHKAPQAUVPIKA-SJORKVTESA-N	1	0	357.845	1.735	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](NC(=O)COCCc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129490622	938441866	/nfs/dbraw/zinc/44/18/66/938441866.db2.gz	GGGLVMCBAHLBRQ-MOPGFXCFSA-N	1	0	369.469	1.455	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)Cn2ccnc2)[C@@H](n2ccnn2)C1	ZINC001129490926	938442839	/nfs/dbraw/zinc/44/28/39/938442839.db2.gz	VOOZKSDRMUNCOZ-SJORKVTESA-N	1	0	357.462	1.263	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CC2CCCCC2)C[C@@H]1n1ccnn1	ZINC001129555879	938452808	/nfs/dbraw/zinc/45/28/08/938452808.db2.gz	CNWPBQCFWJUJLQ-MSOLQXFVSA-N	1	0	359.474	1.240	20	30		FDEDRO
C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2nc3ncccn3n2)C1	ZINC001086623717	938460240	/nfs/dbraw/zinc/46/02/40/938460240.db2.gz	UFXMTHREBNRUHE-DLBZAZTESA-N	1	0	362.437	1.437	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)CCn2cccn2)C[C@@H]1n1ccnn1	ZINC001129589589	938465932	/nfs/dbraw/zinc/46/59/32/938465932.db2.gz	QBOFXXBMIPSQDD-MSOLQXFVSA-N	1	0	371.489	1.653	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(C)n(C)n2)C[C@@H]1n1ccnn1	ZINC001129633940	938474780	/nfs/dbraw/zinc/47/47/80/938474780.db2.gz	VMACPBSGPJRKTG-XYPHTWIQSA-N	1	0	357.462	1.330	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@@H]1n1ccnn1	ZINC001129659752	938477222	/nfs/dbraw/zinc/47/72/22/938477222.db2.gz	SXXOQEILKWBTDZ-MSOLQXFVSA-N	1	0	371.489	1.342	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]CCOc2ccccc2C)[C@@H](n2ccnn2)C1	ZINC001129671814	938479959	/nfs/dbraw/zinc/47/99/59/938479959.db2.gz	ZVTUMYPPAMWUNE-MSOLQXFVSA-N	1	0	369.469	1.973	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]([NH2+]Cc2cccc(CC)c2)[C@@H](n2ccnn2)C1	ZINC001129680862	938483753	/nfs/dbraw/zinc/48/37/53/938483753.db2.gz	DLPDMVLRCVKLBN-MOPGFXCFSA-N	1	0	369.469	1.585	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]([NH2+]CC2CCCCCC2)[C@@H](n2ccnn2)C1	ZINC001129681043	938484039	/nfs/dbraw/zinc/48/40/39/938484039.db2.gz	JTSJOXZUYZNUMV-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
Cc1ccccc1CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1n1ccnn1	ZINC001129689859	938485940	/nfs/dbraw/zinc/48/59/40/938485940.db2.gz	BUUFJLQHDJKZDO-QRQLOZEOSA-N	1	0	366.469	1.721	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1)C1CC1	ZINC001129723265	938494208	/nfs/dbraw/zinc/49/42/08/938494208.db2.gz	CVBSMBFQNDMJIT-DBVUQKKJSA-N	1	0	363.465	1.717	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CC2CCOCC2)C[C@@H]1n1ccnn1	ZINC001129708126	938498667	/nfs/dbraw/zinc/49/86/67/938498667.db2.gz	JJVRTNXQOVDZFX-JQHSSLGASA-N	1	0	361.490	1.791	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@@H](n2ccnn2)C1	ZINC001129795518	938509296	/nfs/dbraw/zinc/50/92/96/938509296.db2.gz	LBXHKQCUEIKDEN-MOPGFXCFSA-N	1	0	362.437	1.495	20	30		FDEDRO
CO[C@@H](C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1n1ccnn1)C1CCCC1	ZINC001129816638	938520896	/nfs/dbraw/zinc/52/08/96/938520896.db2.gz	GGLRUDIJSSBQBB-QYZOEREBSA-N	1	0	371.485	1.238	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H]([NH2+]C[C@H]2CC(C)(C)CO2)[C@@H](n2ccnn2)C1	ZINC001129822190	938521938	/nfs/dbraw/zinc/52/19/38/938521938.db2.gz	JHUAXUGXFRUFPR-ZACQAIPSSA-N	1	0	359.474	1.094	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2sccc2C)C[C@@H]1n1ccnn1	ZINC001129844762	938525416	/nfs/dbraw/zinc/52/54/16/938525416.db2.gz	JOCDRFDWTAZQIC-VQHPVUNQSA-N	1	0	369.494	1.817	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2Cc3ccccc3O2)C[C@@H]1n1ccnn1	ZINC001129863780	938531650	/nfs/dbraw/zinc/53/16/50/938531650.db2.gz	JMTRGFCVJMNSCB-KSZLIROESA-N	1	0	365.437	1.037	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cncc3nc[nH]c32)C[C@@H]1n1ccnn1	ZINC001129863325	938531725	/nfs/dbraw/zinc/53/17/25/938531725.db2.gz	BTFNVWUXBYGMQG-CVEARBPZSA-N	1	0	366.429	1.171	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]C[C@@H](OC)C2CCC2)[C@@H](n2ccnn2)C1	ZINC001129833680	938533209	/nfs/dbraw/zinc/53/32/09/938533209.db2.gz	DFEBEAWFVZKEPD-FGTMMUONSA-N	1	0	359.474	1.238	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]CCC[C@H]2CCOC2)[C@@H](n2ccnn2)C1	ZINC001129834191	938533329	/nfs/dbraw/zinc/53/33/29/938533329.db2.gz	PAWOBYMBCMRKHZ-KSZLIROESA-N	1	0	359.474	1.240	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnn(C3CCC3)c2)C[C@@H]1n1ccnn1	ZINC001129837762	938534985	/nfs/dbraw/zinc/53/49/85/938534985.db2.gz	KSHUTGKRDGSCQS-MSOLQXFVSA-N	1	0	369.473	1.821	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCCCCCC)C[C@@H]1n1ccnn1	ZINC001129838139	938535175	/nfs/dbraw/zinc/53/51/75/938535175.db2.gz	RYBAOHUVVRQOGE-KURKYZTESA-N	1	0	361.490	1.628	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H]([NH2+]CCO[C@H]2CC2(F)F)[C@@H](n2ccnn2)C1	ZINC001129881239	938537157	/nfs/dbraw/zinc/53/71/57/938537157.db2.gz	AZWFPZBKQLQOOJ-ILXRZTDVSA-N	1	0	369.416	1.400	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc3occc3[nH]2)C[C@@H]1n1ccnn1	ZINC001129881804	938537646	/nfs/dbraw/zinc/53/76/46/938537646.db2.gz	UCGIJTPCGJLMPF-CVEARBPZSA-N	1	0	354.414	1.974	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1n1ccnn1	ZINC001129887782	938540314	/nfs/dbraw/zinc/54/03/14/938540314.db2.gz	QLUPADIZGICASE-XHSDSOJGSA-N	1	0	365.453	1.493	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]([NH2+]C[C@@H](CC)OC)[C@@H](n2ccnn2)C1	ZINC001129867374	938543847	/nfs/dbraw/zinc/54/38/47/938543847.db2.gz	RQSXGBPURNMUIJ-KFWWJZLASA-N	1	0	369.897	1.823	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(F)cn2)C[C@@H]1n1ccnn1	ZINC001129912350	938551237	/nfs/dbraw/zinc/55/12/37/938551237.db2.gz	AIUDLUACFHDRKH-SJORKVTESA-N	1	0	358.421	1.363	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(F)cc3ccoc32)C[C@@H]1n1ccnn1	ZINC001129917042	938553819	/nfs/dbraw/zinc/55/38/19/938553819.db2.gz	JCUJQTCTROIOQB-SJORKVTESA-N	1	0	367.384	1.842	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c3c[nH]nc3ccc2C)C[C@@H]1n1ccnn1	ZINC001129916961	938553972	/nfs/dbraw/zinc/55/39/72/938553972.db2.gz	IOJUVTNEXHELDT-SJORKVTESA-N	1	0	365.441	1.694	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n2ccnn2)C1	ZINC001129894883	938556165	/nfs/dbraw/zinc/55/61/65/938556165.db2.gz	WJUQYVPMJHTTLQ-WQDDEOEWSA-N	1	0	360.849	1.673	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)n2ccnc2)C[C@@H]1n1ccnn1	ZINC001129902275	938560945	/nfs/dbraw/zinc/56/09/45/938560945.db2.gz	BZBWLBKFWMTAAL-SQNIBIBYSA-N	1	0	369.473	1.127	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cncs2)C[C@@H]1n1ccnn1	ZINC001129902549	938561693	/nfs/dbraw/zinc/56/16/93/938561693.db2.gz	ROZJQFVSSOSRBU-BMFZPTHFSA-N	1	0	360.487	1.674	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)C2CCOCC2)C[C@@H]1n1ccnn1	ZINC001129932158	938562296	/nfs/dbraw/zinc/56/22/96/938562296.db2.gz	OVYJXNNCTDQZEC-SJORKVTESA-N	1	0	359.474	1.096	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2cccc(OC)c2)C[C@@H]1n1ccnn1	ZINC001129932053	938562348	/nfs/dbraw/zinc/56/23/48/938562348.db2.gz	KSTJUIYOFALARX-MOPGFXCFSA-N	1	0	367.453	1.284	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)C[C@@H]1n1ccnn1	ZINC001129932105	938562363	/nfs/dbraw/zinc/56/23/63/938562363.db2.gz	LZAJVZWIHVMAHL-VQHPVUNQSA-N	1	0	361.490	1.504	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2cncnc2)C[C@@H]1n1ccnn1	ZINC001129932448	938562666	/nfs/dbraw/zinc/56/26/66/938562666.db2.gz	YYGPNDOEBZEABE-NXHRZFHOSA-N	1	0	369.473	1.397	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C[C@@H]1n1ccnn1	ZINC001129940932	938566007	/nfs/dbraw/zinc/56/60/07/938566007.db2.gz	AXBIAMYYWLTVBA-QTMHVTGLSA-N	1	0	371.485	1.096	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(F)ccc2CC)C[C@@H]1n1ccnn1	ZINC001129923643	938569381	/nfs/dbraw/zinc/56/93/81/938569381.db2.gz	OCFZSJXSEDMVJL-MSOLQXFVSA-N	1	0	355.417	1.658	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(F)ccc2CC)C[C@@H]1n1ccnn1	ZINC001129923670	938569481	/nfs/dbraw/zinc/56/94/81/938569481.db2.gz	PLWSRIQUMIIFOW-MSOLQXFVSA-N	1	0	355.417	1.658	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ocnc2C(F)(F)F)C[C@@H]1n1ccnn1	ZINC001129942998	938572598	/nfs/dbraw/zinc/57/25/98/938572598.db2.gz	KKCLJIDVJOWAEY-MNOVXSKESA-N	1	0	370.335	1.516	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccn3ccccc23)C[C@@H]1n1ccnn1	ZINC001129930317	938572767	/nfs/dbraw/zinc/57/27/67/938572767.db2.gz	CSVYKOCZJBERRK-AEFFLSMTSA-N	1	0	350.426	1.762	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc3c2CCOC3)C[C@@H]1n1ccnn1	ZINC001129930572	938573026	/nfs/dbraw/zinc/57/30/26/938573026.db2.gz	KNSMVVMSNJELFA-MOPGFXCFSA-N	1	0	365.437	1.029	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(-c3ccco3)on2)C[C@@H]1n1ccnn1	ZINC001129949029	938573883	/nfs/dbraw/zinc/57/38/83/938573883.db2.gz	LKDJJSUZRCUXGJ-CABCVRRESA-N	1	0	366.381	1.205	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2c(C)nn(C)c2C)C[C@@H]1n1ccnn1	ZINC001129949147	938574073	/nfs/dbraw/zinc/57/40/73/938574073.db2.gz	QVTGWKGWNWUWEZ-XYPHTWIQSA-N	1	0	371.489	1.638	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3cc(F)ccc3[nH]2)C[C@@H]1n1ccnn1	ZINC001129951885	938575022	/nfs/dbraw/zinc/57/50/22/938575022.db2.gz	AHCFCSHNDWOWDW-MSOLQXFVSA-N	1	0	366.400	1.577	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cccc3cn[nH]c32)C[C@@H]1n1ccnn1	ZINC001129954535	938576708	/nfs/dbraw/zinc/57/67/08/938576708.db2.gz	RNCFYQGZMPTKNS-SJORKVTESA-N	1	0	365.441	1.776	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H]([NH2+]CCOC2CCC2)[C@@H](n2ccnn2)C1	ZINC001129956297	938576892	/nfs/dbraw/zinc/57/68/92/938576892.db2.gz	BZCYNJNCLBOTCU-SJORKVTESA-N	1	0	361.490	1.791	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCCC2(F)F)C[C@@H]1n1ccnn1	ZINC001129977888	938593176	/nfs/dbraw/zinc/59/31/76/938593176.db2.gz	IYSSPUFNIZTTIZ-KFWWJZLASA-N	1	0	351.401	1.468	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC2=CCOCC2)C[C@@H]1n1ccnn1	ZINC001129994396	938603328	/nfs/dbraw/zinc/60/33/28/938603328.db2.gz	LIPIBZXBEAMVOB-NXHRZFHOSA-N	1	0	359.474	1.711	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)cccc2C)C[C@@H]1n1ccnn1	ZINC001130014440	938615544	/nfs/dbraw/zinc/61/55/44/938615544.db2.gz	MPCMJMRGQNHYEW-MSOLQXFVSA-N	1	0	367.453	1.200	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(C)nn2CC)C[C@@H]1n1ccnn1	ZINC001130023924	938618826	/nfs/dbraw/zinc/61/88/26/938618826.db2.gz	FESTVUJGBVGIJO-WBVHZDCISA-N	1	0	357.462	1.424	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(F)c(F)c(F)c2)C[C@@H]1n1ccnn1	ZINC001130020773	938619935	/nfs/dbraw/zinc/61/99/35/938619935.db2.gz	WNWLMASSIZBWDY-CABCVRRESA-N	1	0	363.343	1.374	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ncsc2C2CC2)C[C@@H]1n1ccnn1	ZINC001130009332	938626137	/nfs/dbraw/zinc/62/61/37/938626137.db2.gz	JSJBTRRTMMGQKL-KGLIPLIRSA-N	1	0	356.455	1.291	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(c3cccc(F)c3)CC2)C[C@@H]1n1ccnn1	ZINC001130028248	938630510	/nfs/dbraw/zinc/63/05/10/938630510.db2.gz	MSRMIHLBJIEJHD-MSOLQXFVSA-N	1	0	367.428	1.514	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@@H]1n1ccnn1	ZINC001130030563	938631941	/nfs/dbraw/zinc/63/19/41/938631941.db2.gz	GMDMOFRBOJUHNC-CVEARBPZSA-N	1	0	364.494	1.068	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c(C)noc2C)C[C@@H]1n1ccnn1	ZINC001130030860	938632562	/nfs/dbraw/zinc/63/25/62/938632562.db2.gz	VGWNURZGFGCZRT-VHSSKADRSA-N	1	0	370.457	1.127	20	30		FDEDRO
CCC[C@](C)(CC)C(=O)N1C[C@@H]([NH2+]CC#CCOC)[C@@H](n2ccnn2)C1	ZINC001130059391	938648368	/nfs/dbraw/zinc/64/83/68/938648368.db2.gz	JLROZSBMSHKPAX-AOIWGVFYSA-N	1	0	361.490	1.486	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2cc(C)cc(C)c2)C[C@@H]1n1ccnn1	ZINC001130071369	938658286	/nfs/dbraw/zinc/65/82/86/938658286.db2.gz	RXWLSXZXROYQBL-UXHICEINSA-N	1	0	365.481	1.893	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2conc2COC)C[C@@H]1n1ccnn1	ZINC001130081567	938662856	/nfs/dbraw/zinc/66/28/56/938662856.db2.gz	WBVHHHHWZDFXAI-ZBFHGGJFSA-N	1	0	360.418	1.034	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc3c([nH]2)CCCC3)C[C@@H]1n1ccnn1	ZINC001130075627	938669543	/nfs/dbraw/zinc/66/95/43/938669543.db2.gz	XRWKIMMFJVMLQN-MSOLQXFVSA-N	1	0	354.458	1.716	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn([C@@H](C)CC)c2C)C[C@@H]1n1ccnn1	ZINC001130077343	938670398	/nfs/dbraw/zinc/67/03/98/938670398.db2.gz	DEQSVCKHBMMZQT-QGTPRVQTSA-N	1	0	369.473	1.433	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc3nc(C)[nH]c32)C[C@@H]1n1ccnn1	ZINC001130079478	938672451	/nfs/dbraw/zinc/67/24/51/938672451.db2.gz	MHMNUDHTIOMTMP-SJORKVTESA-N	1	0	363.425	1.141	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ncoc2C(C)(C)C)C[C@@H]1n1ccnn1	ZINC001130079462	938672509	/nfs/dbraw/zinc/67/25/09/938672509.db2.gz	LLCUFOVALXKUBV-KGLIPLIRSA-N	1	0	356.430	1.242	20	30		FDEDRO
CC(C)(C)C(=O)N1C[C@@H]([NH2+]CC#Cc2ccc(F)cc2)[C@@H](n2ccnn2)C1	ZINC001130096280	938680671	/nfs/dbraw/zinc/68/06/71/938680671.db2.gz	CRALCLGQYOZTGY-MSOLQXFVSA-N	1	0	369.444	1.857	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1n1ccnn1	ZINC001130096397	938680988	/nfs/dbraw/zinc/68/09/88/938680988.db2.gz	GAXLEEHLILETCD-CABCVRRESA-N	1	0	354.886	1.104	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3CO2)C[C@@H]1n1ccnn1	ZINC001130109596	938688354	/nfs/dbraw/zinc/68/83/54/938688354.db2.gz	CHBJHQOSLLWYMS-QYZOEREBSA-N	1	0	367.453	1.337	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001130112997	938692935	/nfs/dbraw/zinc/69/29/35/938692935.db2.gz	YORKHWYFRQHJLK-MSOLQXFVSA-N	1	0	351.454	1.882	20	30		FDEDRO
C=C[C@@H](C)NC(=O)N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000805195744	938693317	/nfs/dbraw/zinc/69/33/17/938693317.db2.gz	AOECRWCTLZMULB-HUUCEWRRSA-N	1	0	352.479	1.898	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2cccc(F)c2)C[C@@H]1n1ccnn1	ZINC001130114923	938694256	/nfs/dbraw/zinc/69/42/56/938694256.db2.gz	KBZXAKZNVTZICA-MSOLQXFVSA-N	1	0	357.433	1.968	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH]nc3C2)C[C@@H]1n1ccnn1	ZINC001130129702	938699207	/nfs/dbraw/zinc/69/92/07/938699207.db2.gz	SQTCBHPIAIPMKF-QGTPRVQTSA-N	1	0	369.473	1.114	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2c(C)noc2C)C[C@@H]1n1ccnn1	ZINC001130118547	938701702	/nfs/dbraw/zinc/70/17/02/938701702.db2.gz	KMMYLUNVRRQQDS-SJORKVTESA-N	1	0	358.446	1.433	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc3c(c2)CCC3)C[C@@H]1n1ccnn1	ZINC001130119132	938702048	/nfs/dbraw/zinc/70/20/48/938702048.db2.gz	WYJJJBXGMSOJSH-UXHICEINSA-N	1	0	365.481	1.927	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COc2cc(C)ccc2C)C[C@@H]1n1ccnn1	ZINC001130123240	938705350	/nfs/dbraw/zinc/70/53/50/938705350.db2.gz	LJGZZNJUUKGDAE-MSOLQXFVSA-N	1	0	369.469	1.892	20	30		FDEDRO
C[C@@H](F)CC[NH2+][C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130134019	938708502	/nfs/dbraw/zinc/70/85/02/938708502.db2.gz	NXJNUOORXLCDBW-QRQLOZEOSA-N	1	0	369.444	1.810	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CCCCCOC)[C@@H](n2ccnn2)C1	ZINC001130151494	938715986	/nfs/dbraw/zinc/71/59/86/938715986.db2.gz	SYUJGQPJZZECRI-BBWFWOEESA-N	1	0	365.478	1.027	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CN(C)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130153304	938717194	/nfs/dbraw/zinc/71/71/94/938717194.db2.gz	JBOYGMDMRBYAMB-MSOLQXFVSA-N	1	0	354.458	1.332	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](OC(C)C)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130160971	938721360	/nfs/dbraw/zinc/72/13/60/938721360.db2.gz	KFOLIRVMBQMUIY-QYZOEREBSA-N	1	0	369.469	1.972	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](OCC)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130148555	938722743	/nfs/dbraw/zinc/72/27/43/938722743.db2.gz	WHYDAMZBIWUMOI-CEXWTWQISA-N	1	0	367.453	1.421	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccccn2)[nH]1	ZINC001130181690	938728765	/nfs/dbraw/zinc/72/87/65/938728765.db2.gz	QLDVHDATWXIWFZ-ZFWWWQNUSA-N	1	0	356.430	1.168	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CSCCC)[nH]1	ZINC001130187290	938733169	/nfs/dbraw/zinc/73/31/69/938733169.db2.gz	YPQIBMKDOAYEEP-KBPBESRZSA-N	1	0	365.503	1.050	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC=C)[nH]1	ZINC001130190479	938735309	/nfs/dbraw/zinc/73/53/09/938735309.db2.gz	AHNNAOIFRSBBKZ-ILXRZTDVSA-N	1	0	363.462	1.050	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H](C)C(C)C)n1	ZINC001130193235	938737905	/nfs/dbraw/zinc/73/79/05/938737905.db2.gz	OAGHNUZABBDINL-JYJNAYRXSA-N	1	0	361.490	1.589	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cnccc2C)[nH]1	ZINC001130196229	938739532	/nfs/dbraw/zinc/73/95/32/938739532.db2.gz	XRBSTAZJQAUUCO-ZFWWWQNUSA-N	1	0	356.430	1.086	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)=C2CCCC2)[nH]1	ZINC001130198570	938740575	/nfs/dbraw/zinc/74/05/75/938740575.db2.gz	PLQKPENWOBAGME-IRXDYDNUSA-N	1	0	371.485	1.797	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccsc2)[nH]1	ZINC001130183154	938742570	/nfs/dbraw/zinc/74/25/70/938742570.db2.gz	SJOOTXGCYNUCPT-KBPBESRZSA-N	1	0	361.471	1.834	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2coc(C)n2)[nH]1	ZINC001130204697	938745619	/nfs/dbraw/zinc/74/56/19/938745619.db2.gz	FHQJQXUSVABBPB-JSGCOSHPSA-N	1	0	360.418	1.069	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=Cc2ccc[nH]2)[nH]1	ZINC001130205160	938746080	/nfs/dbraw/zinc/74/60/80/938746080.db2.gz	SNLLOZSVOQJSNF-XFCCUVRLSA-N	1	0	370.457	1.501	20	30		FDEDRO
C#CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C[C@H](F)CC)[nH]1	ZINC001130209603	938747583	/nfs/dbraw/zinc/74/75/83/938747583.db2.gz	HFYQTMLZNXTKRB-ILXRZTDVSA-N	1	0	365.453	1.435	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C(F)F)CC2)[nH]1	ZINC001130212941	938750000	/nfs/dbraw/zinc/75/00/00/938750000.db2.gz	LXAFKFIWIYDOEX-RYUDHWBXSA-N	1	0	369.416	1.504	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C23CCC(CC2)C3)[nH]1	ZINC001130223105	938757126	/nfs/dbraw/zinc/75/71/26/938757126.db2.gz	MCMMXHRDMBRJSC-LPRCSBTHSA-N	1	0	359.474	1.649	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cocc2C)[nH]1	ZINC001130227812	938761813	/nfs/dbraw/zinc/76/18/13/938761813.db2.gz	QODNHLUBISYQBN-ZFWWWQNUSA-N	1	0	357.414	1.122	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H]2CC=CCC2)n1	ZINC001130230190	938763891	/nfs/dbraw/zinc/76/38/91/938763891.db2.gz	QKNWVMIJCZLRMQ-IKGGRYGDSA-N	1	0	371.485	1.653	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CC3(CCC3)C2)[nH]1	ZINC001130230392	938764319	/nfs/dbraw/zinc/76/43/19/938764319.db2.gz	WCMKNTWMTNCXPG-GJZGRUSLSA-N	1	0	359.474	1.649	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc[nH]c2C(C)C)n1	ZINC001130234746	938766211	/nfs/dbraw/zinc/76/62/11/938766211.db2.gz	JNIVARVUPQPCPV-ZFWWWQNUSA-N	1	0	370.457	1.282	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C)CC(=C)C2)[nH]1	ZINC001130234905	938766320	/nfs/dbraw/zinc/76/63/20/938766320.db2.gz	OLJPNEIJKZBVIC-GJZGRUSLSA-N	1	0	359.474	1.815	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(CC=C)CCC2)n1	ZINC001130240451	938768204	/nfs/dbraw/zinc/76/82/04/938768204.db2.gz	PAJQJTMMCMCPBV-GJZGRUSLSA-N	1	0	357.458	1.263	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC23CCCC3)n1	ZINC001130244151	938770257	/nfs/dbraw/zinc/77/02/57/938770257.db2.gz	BQEJDQDFYMCPHN-ZNMIVQPWSA-N	1	0	357.458	1.097	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC23CCCC3)[nH]1	ZINC001130244906	938771005	/nfs/dbraw/zinc/77/10/05/938771005.db2.gz	QJOILGVPLFNLCZ-JYJNAYRXSA-N	1	0	371.485	1.487	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(F)CCCCC2)[nH]1	ZINC001130246788	938772045	/nfs/dbraw/zinc/77/20/45/938772045.db2.gz	PUIJVMPHESJGSN-KBPBESRZSA-N	1	0	365.453	1.741	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(F)s2)n1	ZINC001130253543	938775265	/nfs/dbraw/zinc/77/52/65/938775265.db2.gz	BSZHXKUGOHDKGX-QWRGUYRKSA-N	1	0	363.418	1.031	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C/C=C/Cl)CC1	ZINC001130281354	938779354	/nfs/dbraw/zinc/77/93/54/938779354.db2.gz	ITZLKMHHPLJYDN-PUWHSEDVSA-N	1	0	352.866	1.374	20	30		FDEDRO
CCOCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)C#N)CC1	ZINC001130281589	938779415	/nfs/dbraw/zinc/77/94/15/938779415.db2.gz	JQBBKPDNAVRENK-KYJSFNMBSA-N	1	0	364.490	1.048	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](CC)SC)CC1	ZINC001130281618	938779459	/nfs/dbraw/zinc/77/94/59/938779459.db2.gz	KIYPISXFOVKKJP-INMHGKMJSA-N	1	0	353.532	1.789	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](CC)SC)CC1	ZINC001130281644	938779464	/nfs/dbraw/zinc/77/94/64/938779464.db2.gz	LAOSGJYBRZZFLK-VYDXJSESSA-N	1	0	351.516	1.237	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCC)CC1	ZINC001130282553	938780105	/nfs/dbraw/zinc/78/01/05/938780105.db2.gz	WPQWTWGEBWJOLR-XLIONFOSSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCOCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2CCC2)CC1	ZINC001130266765	938782963	/nfs/dbraw/zinc/78/29/63/938782963.db2.gz	PJSGQEVIJVGNRI-MJGOQNOKSA-N	1	0	363.502	1.465	20	30		FDEDRO
CCCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC#CCOC)CC1	ZINC001130271682	938785433	/nfs/dbraw/zinc/78/54/33/938785433.db2.gz	NAZRUDKUYLYIJI-XLIONFOSSA-N	1	0	363.502	1.302	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CSCCC)CC1	ZINC001130274528	938786775	/nfs/dbraw/zinc/78/67/75/938786775.db2.gz	SJRFDJRNSNMUSG-QAPCUYQASA-N	1	0	353.532	1.791	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)CSC)CC1	ZINC001130285154	938789845	/nfs/dbraw/zinc/78/98/45/938789845.db2.gz	BWIVEEXPSCAGPB-KYJSFNMBSA-N	1	0	365.543	1.484	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCCCOC)CC1	ZINC001130286081	938790884	/nfs/dbraw/zinc/79/08/84/938790884.db2.gz	WPRLOLQRDBZVCU-APWZRJJASA-N	1	0	351.491	1.465	20	30		FDEDRO
CO[C@H](C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C#CC(C)C)CC1	ZINC001130290504	938795087	/nfs/dbraw/zinc/79/50/87/938795087.db2.gz	ACMCYVZKIHMJBU-MDYRTPRTSA-N	1	0	363.502	1.156	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)CC(F)F)CC1	ZINC001130293327	938797041	/nfs/dbraw/zinc/79/70/41/938797041.db2.gz	UONLDCFUSDMKRD-SIIHOXLZSA-N	1	0	369.456	1.776	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)C(C)(F)F)CC1	ZINC001130302065	938800644	/nfs/dbraw/zinc/80/06/44/938800644.db2.gz	NYKNEOOJVLPQJZ-LXZKKBNFSA-N	1	0	369.456	1.776	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@H](C)C2CC2)CC1	ZINC001130307530	938805059	/nfs/dbraw/zinc/80/50/59/938805059.db2.gz	SUXCTHJZVREVKJ-KLHJMIIUSA-N	1	0	359.514	1.921	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC#CC)CC1	ZINC001130309243	938806375	/nfs/dbraw/zinc/80/63/75/938806375.db2.gz	JSNFYMLELIXNOW-XLIONFOSSA-N	1	0	361.486	1.078	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC2CC2)CC1	ZINC001130313252	938807862	/nfs/dbraw/zinc/80/78/62/938807862.db2.gz	QWXPZLJWAZCYQE-YJLNNSPDSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)c1ccncc1	ZINC000805807893	938830274	/nfs/dbraw/zinc/83/02/74/938830274.db2.gz	OPCXUQUNWSCONO-DAWZGUTISA-N	1	0	356.470	1.948	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1ccncc1	ZINC000805814188	938831500	/nfs/dbraw/zinc/83/15/00/938831500.db2.gz	METQXLVRBQQIQZ-ZWKOTPCHSA-N	1	0	356.470	1.902	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)CC)C[C@H]1c1cn(C)cn1	ZINC001130474087	938864789	/nfs/dbraw/zinc/86/47/89/938864789.db2.gz	MLAKVDLLZDNOLM-DOTOQJQBSA-N	1	0	361.490	1.139	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc[n+]([O-])cc2)C1	ZINC001086637321	938865263	/nfs/dbraw/zinc/86/52/63/938865263.db2.gz	AZGCAORIJHMNOI-HNAYVOBHSA-N	1	0	350.422	1.880	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2occc2C)C[C@H]1c1cn(C)cn1	ZINC001130498327	938882484	/nfs/dbraw/zinc/88/24/84/938882484.db2.gz	XXSVMVMAHMIMFR-DOTOQJQBSA-N	1	0	356.426	1.169	20	30		FDEDRO
C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cccc(-n2ccnn2)c1	ZINC000806145605	938900211	/nfs/dbraw/zinc/90/02/11/938900211.db2.gz	DPZLVNZNNWQDOO-XAGMJWQQSA-N	1	0	352.398	1.444	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2nccn2CC)C[C@H]1c1cn(C)cn1	ZINC001130573886	939874212	/nfs/dbraw/zinc/87/42/12/939874212.db2.gz	DPDJZNWEWVNGRR-DOTOQJQBSA-N	1	0	356.474	1.801	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2cccc(-c3nn[nH]n3)c2)CC1	ZINC000819750221	945278672	/nfs/dbraw/zinc/27/86/72/945278672.db2.gz	AFMNZQUHGXFVFO-ZDUSSCGKSA-N	1	0	355.446	1.877	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccccn2)C1	ZINC001130578435	939891231	/nfs/dbraw/zinc/89/12/31/939891231.db2.gz	NELYAYHFLZAIMI-PKOBYXMFSA-N	1	0	351.454	1.703	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(OC)ns2)C[C@H]1c1cn(C)cn1	ZINC001130593050	939900029	/nfs/dbraw/zinc/90/00/29/939900029.db2.gz	MTVUECWEUBICCE-GXTWGEPZSA-N	1	0	359.455	1.106	20	30		FDEDRO
Cc1nocc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1c1cn(C)cn1	ZINC001130593366	939900278	/nfs/dbraw/zinc/90/02/78/939900278.db2.gz	YHJMANAUYAFPLW-FUHWJXTLSA-N	1	0	369.469	1.850	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(C)nnc2C)C[C@H]1c1cn(C)cn1	ZINC001130599344	939904985	/nfs/dbraw/zinc/90/49/85/939904985.db2.gz	OMVKGFUVQGDWQR-PKOBYXMFSA-N	1	0	368.485	1.991	20	30		FDEDRO
C#CC[C@H](Cc1ccccc1)NC(=O)NCC(C)(C)N1CC[NH+](C)CC1	ZINC000806361258	939914631	/nfs/dbraw/zinc/91/46/31/939914631.db2.gz	JPEYGWDLMNFTMH-LJQANCHMSA-N	1	0	356.514	1.946	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2C(C)C)C[C@H]1c1cn(C)cn1	ZINC001130622037	939920417	/nfs/dbraw/zinc/92/04/17/939920417.db2.gz	MJKVUFHMEPRJEI-DOTOQJQBSA-N	1	0	354.458	1.488	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)nc2)C[C@H]1c1cn(C)cn1	ZINC001130625889	939923319	/nfs/dbraw/zinc/92/33/19/939923319.db2.gz	AMXSKYJLPFUPFT-DOTOQJQBSA-N	1	0	355.442	1.598	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(=O)oc2C)C[C@H]1c1cn(C)cn1	ZINC001130627003	939924644	/nfs/dbraw/zinc/92/46/44/939924644.db2.gz	WOPRYFSDEMUENI-DOTOQJQBSA-N	1	0	370.453	1.764	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)nc2)C[C@H]1c1cn(C)cn1	ZINC001130626963	939924676	/nfs/dbraw/zinc/92/46/76/939924676.db2.gz	VUYKFLQRSBOLBR-DOTOQJQBSA-N	1	0	353.426	1.045	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCF)C1	ZINC001130637764	939939857	/nfs/dbraw/zinc/93/98/57/939939857.db2.gz	KVXTYGLKJPCTQJ-WDYCEAGBSA-N	1	0	366.481	1.893	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c(C)nc[nH]c2=O)C[C@H]1c1cn(C)cn1	ZINC001130652450	939946749	/nfs/dbraw/zinc/94/67/49/939946749.db2.gz	VECVDAQJIVCYQZ-GOEBONIOSA-N	1	0	370.457	1.388	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3cccnc32)C[C@H]1c1cn(C)cn1	ZINC001130654719	939948492	/nfs/dbraw/zinc/94/84/92/939948492.db2.gz	PUIXFFRYVZWNGN-JENIJYKNSA-N	1	0	363.465	1.452	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(=O)NC(C)C)C1	ZINC001130641962	939949303	/nfs/dbraw/zinc/94/93/03/939949303.db2.gz	AHNFRRMQQADJFY-GOEBONIOSA-N	1	0	361.490	1.041	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(Cl)c[nH]3)C2)C1=O	ZINC001086643365	939964129	/nfs/dbraw/zinc/96/41/29/939964129.db2.gz	UGPWAXPTWMBMGH-NWANDNLSSA-N	1	0	364.877	1.943	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccncc2Cl)C[C@H]1c1cn(C)cn1	ZINC001130680337	939968649	/nfs/dbraw/zinc/96/86/49/939968649.db2.gz	KJWRRGQJVDZKFR-WMLDXEAASA-N	1	0	357.845	1.690	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](OC)C(C)C)C[C@H]1c1cn(C)cn1	ZINC001130669846	939969982	/nfs/dbraw/zinc/96/99/82/939969982.db2.gz	KIOAIVQWEMCIIU-CGTJXYLNSA-N	1	0	364.490	1.178	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(F)F)n[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130672805	939972099	/nfs/dbraw/zinc/97/20/99/939972099.db2.gz	ZWURGHJBBCHNOD-XHDPSFHLSA-N	1	0	362.384	1.302	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)co2)C[C@H]1c1cn(C)cn1	ZINC001130675169	939972988	/nfs/dbraw/zinc/97/29/88/939972988.db2.gz	PBQDASIAKBZJMM-GOEBONIOSA-N	1	0	371.441	1.276	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@H]1c1cn(C)cn1	ZINC001130675427	939973545	/nfs/dbraw/zinc/97/35/45/939973545.db2.gz	UHLJGHWVHGBJJQ-XLMAVXFVSA-N	1	0	368.485	1.417	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cnon2)C[C@H]1c1cn(C)cn1	ZINC001130695450	939990015	/nfs/dbraw/zinc/99/00/15/939990015.db2.gz	SOZXQLFWEXOIRP-WMLDXEAASA-N	1	0	358.446	1.747	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CCn2cccc2)C[C@H]1c1cn(C)cn1	ZINC001130700767	939996117	/nfs/dbraw/zinc/99/61/17/939996117.db2.gz	DUXDICHNXLOIAD-PKOBYXMFSA-N	1	0	371.485	1.399	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ncoc2C(C)(C)C)C[C@H]1c1cn(C)cn1	ZINC001130710454	939998404	/nfs/dbraw/zinc/99/84/04/939998404.db2.gz	XGDYPPIDILXURP-GOEBONIOSA-N	1	0	369.469	1.927	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2cnn(CC)c2)C[C@H]1c1cn(C)cn1	ZINC001130710429	939998408	/nfs/dbraw/zinc/99/84/08/939998408.db2.gz	WECGNKIWWGGCPE-PKOBYXMFSA-N	1	0	370.501	1.729	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1c1cn(C)cn1	ZINC001130712618	939998997	/nfs/dbraw/zinc/99/89/97/939998997.db2.gz	DCXWHNXMCASOBE-FUHWJXTLSA-N	1	0	356.474	1.247	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)C)C[C@H]1c1cn(C)cn1	ZINC001130715388	940008069	/nfs/dbraw/zinc/00/80/69/940008069.db2.gz	YPZOMRYKQYHRGI-OFQRWUPVSA-N	1	0	361.490	1.041	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ncoc2C(C)C)C[C@H]1c1cn(C)cn1	ZINC001130708476	940014600	/nfs/dbraw/zinc/01/46/00/940014600.db2.gz	SAVXNCPENUNWDK-GOEBONIOSA-N	1	0	355.442	1.753	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2cnccn2)C[C@H]1c1cn(C)cn1	ZINC001130708543	940014627	/nfs/dbraw/zinc/01/46/27/940014627.db2.gz	WZMQSKAULLRFTQ-PKOBYXMFSA-N	1	0	368.485	1.693	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@H]1c1cn(C)cn1	ZINC001130717680	940018336	/nfs/dbraw/zinc/01/83/36/940018336.db2.gz	PYVVVLMVUUXGKJ-GXTWGEPZSA-N	1	0	356.392	1.916	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COCCCCCC)C[C@H]1c1cn(C)cn1	ZINC001130719202	940022037	/nfs/dbraw/zinc/02/20/37/940022037.db2.gz	CFZPENASENNXRL-PKOBYXMFSA-N	1	0	360.502	1.924	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(CCOC)CCC2)C[C@H]1c1cn(C)cn1	ZINC001130719265	940022453	/nfs/dbraw/zinc/02/24/53/940022453.db2.gz	GJFPQAOJTODWBP-FUHWJXTLSA-N	1	0	358.486	1.534	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1c1cn(C)cn1	ZINC001130723153	940027727	/nfs/dbraw/zinc/02/77/27/940027727.db2.gz	CRKUBYSKZUJANA-FUHWJXTLSA-N	1	0	371.489	1.342	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCCn2cccc2)C[C@H]1c1cn(C)cn1	ZINC001130734515	940034709	/nfs/dbraw/zinc/03/47/09/940034709.db2.gz	VDLWULIJCAXOOP-PKOBYXMFSA-N	1	0	353.470	1.609	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2cscn2)C[C@H]1c1cn(C)cn1	ZINC001130737167	940038377	/nfs/dbraw/zinc/03/83/77/940038377.db2.gz	VSGOBTHXYINTDS-DOTOQJQBSA-N	1	0	357.483	1.417	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(N(C)C)ccn2)C[C@H]1c1cn(C)cn1	ZINC001130739402	940041217	/nfs/dbraw/zinc/04/12/17/940041217.db2.gz	FKBQFYPCSUZNDA-QFBILLFUSA-N	1	0	366.469	1.102	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)COC[C@H]2CCCO2)C[C@H]1c1cn(C)cn1	ZINC001130739872	940041953	/nfs/dbraw/zinc/04/19/53/940041953.db2.gz	SMRHVKYDBRBIPM-SOLBZPMBSA-N	1	0	362.474	1.076	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130741567	940043889	/nfs/dbraw/zinc/04/38/89/940043889.db2.gz	JCAXTSIFDMWMTC-FUHWJXTLSA-N	1	0	366.469	1.252	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2nn(CC)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130741874	940045993	/nfs/dbraw/zinc/04/59/93/940045993.db2.gz	UCNMTELIVDLVMN-DOTOQJQBSA-N	1	0	371.489	1.504	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COC)n2)O1	ZINC001130753123	940061666	/nfs/dbraw/zinc/06/16/66/940061666.db2.gz	ROHKXSMBNIHWTL-MELADBBJSA-N	1	0	351.451	1.232	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCCCOC)n2)O1	ZINC001130761521	940066722	/nfs/dbraw/zinc/06/67/22/940066722.db2.gz	AKWMXHAFPDQAPX-LSDHHAIUSA-N	1	0	363.462	1.071	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COC(C)C)n2)O1	ZINC001130762163	940068952	/nfs/dbraw/zinc/06/89/52/940068952.db2.gz	NLPTWZTWPFGDGX-UONOGXRCSA-N	1	0	351.451	1.232	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCCC)n2)O1	ZINC001130762603	940070729	/nfs/dbraw/zinc/07/07/29/940070729.db2.gz	YXKWGJRQNVFSPX-LSDHHAIUSA-N	1	0	365.478	1.623	20	30		FDEDRO
C#CCSCCNC(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1	ZINC000806845071	940071602	/nfs/dbraw/zinc/07/16/02/940071602.db2.gz	HCWLKTLOVBJUKX-UHFFFAOYSA-N	1	0	374.554	1.812	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(C)n3C)n2)O1	ZINC001130756405	940078695	/nfs/dbraw/zinc/07/86/95/940078695.db2.gz	FKIDXVVCMJNOMC-GOEBONIOSA-N	1	0	370.457	1.215	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cccc(C)c3)n2)O1	ZINC001130756731	940080356	/nfs/dbraw/zinc/08/03/56/940080356.db2.gz	XTWFTFWLNSZUMH-JKSUJKDBSA-N	1	0	353.426	1.486	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)OCC)n2)O1	ZINC001130767954	940103080	/nfs/dbraw/zinc/10/30/80/940103080.db2.gz	VWYQDYUCWKHSAK-MELADBBJSA-N	1	0	351.451	1.232	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3c(C)ccn3C)n2)O1	ZINC001130776357	940124716	/nfs/dbraw/zinc/12/47/16/940124716.db2.gz	ADDWODFDGHAHRO-LSDHHAIUSA-N	1	0	370.457	1.215	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)/C=C/C3CC3)n2)O1	ZINC001130776632	940126039	/nfs/dbraw/zinc/12/60/39/940126039.db2.gz	JBWFBDDQBGVRDN-QFVHEQCKSA-N	1	0	365.865	1.949	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3CC(F)(F)C3)n2)O1	ZINC001130777002	940127611	/nfs/dbraw/zinc/12/76/11/940127611.db2.gz	RBUNJEHIDULIIN-QWHCGFSZSA-N	1	0	369.416	1.852	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3c[nH]c(C#N)c3)n2)O1	ZINC001130777261	940128274	/nfs/dbraw/zinc/12/82/74/940128274.db2.gz	ZDRSOVIKYWQKCG-LSDHHAIUSA-N	1	0	369.429	1.320	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccoc3CC)n2)O1	ZINC001130780984	940135052	/nfs/dbraw/zinc/13/50/52/940135052.db2.gz	JGDUVLLEWGQKMQ-XJKSGUPXSA-N	1	0	371.441	1.723	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3[nH]ccc3C)n2)O1	ZINC001130780758	940135201	/nfs/dbraw/zinc/13/52/01/940135201.db2.gz	AQBNEQOFTWHFEB-UONOGXRCSA-N	1	0	358.446	1.757	20	30		FDEDRO
C#CCCCNC(=O)C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C	ZINC000806909981	940138220	/nfs/dbraw/zinc/13/82/20/940138220.db2.gz	OQOQKGFTBVGRNI-IRXDYDNUSA-N	1	0	355.482	1.789	20	30		FDEDRO
C#CCCCNC(=O)C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C	ZINC000806909979	940138300	/nfs/dbraw/zinc/13/83/00/940138300.db2.gz	OQOQKGFTBVGRNI-IAGOWNOFSA-N	1	0	355.482	1.789	20	30		FDEDRO
CC(C)C#CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCC(C)C)O2)n[nH]1	ZINC001130782780	940141726	/nfs/dbraw/zinc/14/17/26/940141726.db2.gz	CQKRLYOLBSTCLR-JKSUJKDBSA-N	1	0	361.490	1.936	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)CC(F)F)n2)O1	ZINC001130794085	940144872	/nfs/dbraw/zinc/14/48/72/940144872.db2.gz	LVSIWZKMESDDTM-GRYCIOLGSA-N	1	0	357.405	1.708	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)CC(F)F)n2)O1	ZINC001130794011	940144937	/nfs/dbraw/zinc/14/49/37/940144937.db2.gz	HSFRPFRCKYSRND-FRRDWIJNSA-N	1	0	369.416	1.545	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)CC(F)F)n2)O1	ZINC001130794030	940144980	/nfs/dbraw/zinc/14/49/80/940144980.db2.gz	IZXVGKJKSFAJPH-GRYCIOLGSA-N	1	0	355.389	1.155	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCCC3(C)C)n2)O1	ZINC001130796577	940153211	/nfs/dbraw/zinc/15/32/11/940153211.db2.gz	YNDYQXKTDRKILY-SOUVJXGZSA-N	1	0	359.474	1.690	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3C[C@H]3C(C)(C)C)n2)O1	ZINC001130792683	940172150	/nfs/dbraw/zinc/17/21/50/940172150.db2.gz	RJGISYYPYLWFCV-ZJIFWQFVSA-N	1	0	373.501	1.936	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)c3ccco3)n2)O1	ZINC001130806348	940180681	/nfs/dbraw/zinc/18/06/81/940180681.db2.gz	AFFUTCDUKSISDD-OFQRWUPVSA-N	1	0	371.441	1.651	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@]34C[C@@H]3CCCC4)n2)O1	ZINC001130806658	940181391	/nfs/dbraw/zinc/18/13/91/940181391.db2.gz	HGHHAKVTOIIPTN-MFCZKXCZSA-N	1	0	371.485	1.834	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3nc(C)c[nH]3)n2)O1	ZINC001130809264	940186466	/nfs/dbraw/zinc/18/64/66/940186466.db2.gz	OWLVBZAHCWATGJ-QWHCGFSZSA-N	1	0	359.434	1.152	20	30		FDEDRO
C=CCC(C)(C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C[C@@H](C)O)O2)n[nH]1	ZINC001130809248	940186631	/nfs/dbraw/zinc/18/66/31/940186631.db2.gz	ODBCHBOBMGWDPJ-HZSPNIEDSA-N	1	0	365.478	1.214	20	30		FDEDRO
C=CCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C[C@H](C)OC)O2)n[nH]1	ZINC001130799692	940193764	/nfs/dbraw/zinc/19/37/64/940193764.db2.gz	SHDFNYCQWYNOII-SOUVJXGZSA-N	1	0	365.478	1.622	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3C[C@H]4C[C@H]4C3)n2)O1	ZINC001130799748	940194359	/nfs/dbraw/zinc/19/43/59/940194359.db2.gz	WGEXLROPVMDTDS-CQJMVSDSSA-N	1	0	357.458	1.300	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC(=C)C)O2)n[nH]1	ZINC001130822707	940203307	/nfs/dbraw/zinc/20/33/07/940203307.db2.gz	LBZWWGGWMLFSKY-SOUVJXGZSA-N	1	0	363.462	1.398	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC3CC3)O2)n[nH]1	ZINC001130822438	940203493	/nfs/dbraw/zinc/20/34/93/940203493.db2.gz	IZSJFNTZPUXPMZ-AEGPPILISA-N	1	0	363.462	1.232	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccnc(C)c3)n2)O1	ZINC001130811898	940205943	/nfs/dbraw/zinc/20/59/43/940205943.db2.gz	QVQKEIGCXIPVNY-JKSUJKDBSA-N	1	0	370.457	1.824	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(C3CC3)C3CC3)n2)O1	ZINC001130816377	940217972	/nfs/dbraw/zinc/21/79/72/940217972.db2.gz	UAANQHCOBFKGBK-LSDHHAIUSA-N	1	0	357.458	1.300	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(C)cc3)n2)O1	ZINC001130817299	940221768	/nfs/dbraw/zinc/22/17/68/940221768.db2.gz	KUDWHEYFCWCSMM-DLBZAZTESA-N	1	0	367.453	1.876	20	30		FDEDRO
CN1CCN(C(=O)c2cc(C#N)ccn2)[C@H](CNC(=O)OC(C)(C)C)C1	ZINC000807077447	940243024	/nfs/dbraw/zinc/24/30/24/940243024.db2.gz	HCDLQSLVBHEDGE-CQSZACIVSA-N	1	0	359.430	1.234	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)/C=C\c2ccco2)C[C@H]1c1cncn1C	ZINC001130895740	940293503	/nfs/dbraw/zinc/29/35/03/940293503.db2.gz	JRCWEAZGSZEYBX-XXCOWLKOSA-N	1	0	370.453	1.813	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(C)c2)C[C@H]1c1cncn1C	ZINC001130895863	940293530	/nfs/dbraw/zinc/29/35/30/940293530.db2.gz	MNNCEWAEGLDEKH-RTBURBONSA-N	1	0	366.465	1.576	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2ccoc2C)C[C@H]1c1cncn1C	ZINC001130903217	940312196	/nfs/dbraw/zinc/31/21/96/940312196.db2.gz	ZKDANBRCNDLURB-IAGOWNOFSA-N	1	0	356.426	1.169	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cccn2C)C[C@H]1c1cncn1C	ZINC001130908617	940315545	/nfs/dbraw/zinc/31/55/45/940315545.db2.gz	LBMDNEQJKUVNKE-HZPDHXFCSA-N	1	0	357.458	1.159	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1c1cncn1C	ZINC001130912682	940322268	/nfs/dbraw/zinc/32/22/68/940322268.db2.gz	AVSFRAZDOKFJLO-GVDBMIGSSA-N	1	0	371.489	1.341	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N(CCC)CC[NH+]1CCCC1	ZINC000807334786	940324285	/nfs/dbraw/zinc/32/42/85/940324285.db2.gz	UIRSPGBUYPXTIO-UHFFFAOYSA-N	1	0	357.454	1.972	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1c1cncn1C	ZINC001130956633	940361360	/nfs/dbraw/zinc/36/13/60/940361360.db2.gz	BKHZLNJKXTVKRA-BZUAXINKSA-N	1	0	356.474	1.706	20	30		FDEDRO
CC[C@H](C[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1c1cncn1C)OC	ZINC001130956860	940361879	/nfs/dbraw/zinc/36/18/79/940361879.db2.gz	HRASCDLSGTZUPV-BFYDXBDKSA-N	1	0	370.457	1.243	20	30		FDEDRO
CC[C@H](C)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1c1cncn1C	ZINC001130969198	940377245	/nfs/dbraw/zinc/37/72/45/940377245.db2.gz	USPGSISTFMOGHB-IAOVAPTHSA-N	1	0	354.458	1.864	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H](C)CC)C[C@H]1c1cncn1C	ZINC001130971229	940379737	/nfs/dbraw/zinc/37/97/37/940379737.db2.gz	FQLXISUPKIMACO-ARFHVFGLSA-N	1	0	361.490	1.043	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1c1cncn1C	ZINC001130980716	940395205	/nfs/dbraw/zinc/39/52/05/940395205.db2.gz	OUTRMWYDAXNWAK-HZPDHXFCSA-N	1	0	371.489	1.493	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C(=O)Nc2cnn(CC#N)c2)CC[N@@H+]1Cc1ccccc1	ZINC000807544494	940396897	/nfs/dbraw/zinc/39/68/97/940396897.db2.gz	UHKLQHOUZLSIAO-PBHICJAKSA-N	1	0	366.425	1.124	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCOCC)C1	ZINC001130983039	940398013	/nfs/dbraw/zinc/39/80/13/940398013.db2.gz	NOPULAXUVNZSIL-MDZRGWNJSA-N	1	0	364.490	1.058	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC/C=C\CC)C1	ZINC001130988554	940410428	/nfs/dbraw/zinc/41/04/28/940410428.db2.gz	HSBURJWJVBADTE-PUSMVSPTSA-N	1	0	358.486	1.699	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC(C)(C)C)C1	ZINC001130989188	940411624	/nfs/dbraw/zinc/41/16/24/940411624.db2.gz	WXUHUHREPVGJNC-BRWVUGGUSA-N	1	0	360.502	1.779	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](OCC)C2=CCCC2)C[C@H]1c1cncn1C	ZINC001130991481	940414083	/nfs/dbraw/zinc/41/40/83/940414083.db2.gz	NEJBPLJNBKMWCN-QWFCFKBJSA-N	1	0	370.497	1.843	20	30		FDEDRO
CCc1nocc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1c1cncn1C	ZINC001130991571	940414480	/nfs/dbraw/zinc/41/44/80/940414480.db2.gz	RUBRWVBKRKEAJH-SJLPKXTDSA-N	1	0	369.469	1.714	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1c1cncn1C	ZINC001130991570	940414636	/nfs/dbraw/zinc/41/46/36/940414636.db2.gz	RPBAEKVPTLXOEK-QBPKDAKJSA-N	1	0	373.501	1.185	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2ccnn2C)C[C@H]1c1cncn1C	ZINC001130991593	940414656	/nfs/dbraw/zinc/41/46/56/940414656.db2.gz	SZWHQAUAIGXPHK-ARFHVFGLSA-N	1	0	356.474	1.417	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccccc2CN2CCOCC2)CC1	ZINC000747405299	940418509	/nfs/dbraw/zinc/41/85/09/940418509.db2.gz	YGTJFYQVWFGYHL-UHFFFAOYSA-N	1	0	355.482	1.736	20	30		FDEDRO
CO[C@@H](C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1cncn1C)C1CCC1	ZINC001130985812	940423481	/nfs/dbraw/zinc/42/34/81/940423481.db2.gz	RLZNYFOLJHYXOM-GGPKGHCWSA-N	1	0	370.497	1.533	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1c1cncn1C	ZINC001130986120	940423961	/nfs/dbraw/zinc/42/39/61/940423961.db2.gz	XWGGQRLPHMWJOD-IAGOWNOFSA-N	1	0	356.470	1.003	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2ccnn2C)C[C@H]1c1cncn1C	ZINC001131005985	940432267	/nfs/dbraw/zinc/43/22/67/940432267.db2.gz	GTXYSMTULYLUEV-IAGOWNOFSA-N	1	0	356.474	1.247	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ncc(OC)cc2F)C[C@H]1c1cncn1C	ZINC001131006277	940432994	/nfs/dbraw/zinc/43/29/94/940432994.db2.gz	VOSGSUDOCRXJLJ-GDBMZVCRSA-N	1	0	371.416	1.184	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2ccn(C)n2)C[C@H]1c1cncn1C	ZINC001131006334	940433172	/nfs/dbraw/zinc/43/31/72/940433172.db2.gz	ZDKCTRMKESOIAR-IAGOWNOFSA-N	1	0	356.474	1.247	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)NC(=O)CC)C[C@H]1c1cncn1C	ZINC001130999222	940435712	/nfs/dbraw/zinc/43/57/12/940435712.db2.gz	KXFNHCMVPWAMFA-BZUAXINKSA-N	1	0	361.490	1.185	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc(C(N)=O)c2)C[C@H]1c1cncn1C	ZINC001131017589	940438242	/nfs/dbraw/zinc/43/82/42/940438242.db2.gz	BVOIPTKZRLHXOP-IAGOWNOFSA-N	1	0	367.453	1.293	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2ccnc(C)n2)C[C@H]1c1cncn1C	ZINC001131038444	940466712	/nfs/dbraw/zinc/46/67/12/940466712.db2.gz	SDDLVJILRNGCPA-QZTJIDSGSA-N	1	0	366.469	1.059	20	30		FDEDRO
CCc1ccoc1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CCOC)C1	ZINC001131062010	940479847	/nfs/dbraw/zinc/47/98/47/940479847.db2.gz	QZHMNQVLFXLXAC-IAGOWNOFSA-N	1	0	370.453	1.423	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccnn3C)C2)cc1C#N	ZINC001086655757	940480778	/nfs/dbraw/zinc/48/07/78/940480778.db2.gz	VVSBBDUVUWGULM-DOTOQJQBSA-N	1	0	367.453	1.989	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3ccc(F)cc32)C[C@H]1c1cncn1C	ZINC001131055713	940481550	/nfs/dbraw/zinc/48/15/50/940481550.db2.gz	JBPVWRMEOHTVOD-IPMKNSEASA-N	1	0	366.440	1.806	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCCF)C2)c1	ZINC001131068131	940483225	/nfs/dbraw/zinc/48/32/25/940483225.db2.gz	NZEIGSTUGURJTM-IAGOWNOFSA-N	1	0	355.417	1.354	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2conc2C2CC2)C[C@H]1c1cncn1C	ZINC001131070026	940484137	/nfs/dbraw/zinc/48/41/37/940484137.db2.gz	CEPINFYBUOQVHK-GDBMZVCRSA-N	1	0	353.426	1.507	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1c1cncn1C	ZINC001131071870	940485013	/nfs/dbraw/zinc/48/50/13/940485013.db2.gz	AFNHGTXCVSVJPB-ZIAGYGMSSA-N	1	0	350.413	1.763	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2[nH]c(C)nc2C)C[C@H]1c1cncn1C	ZINC001131072297	940485302	/nfs/dbraw/zinc/48/53/02/940485302.db2.gz	RPHGTTQCQOGOPX-HZPDHXFCSA-N	1	0	356.474	1.924	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@@H]2CCOC2)C1	ZINC001131081888	940487885	/nfs/dbraw/zinc/48/78/85/940487885.db2.gz	DAXJEDYZJLOFHQ-GVDBMIGSSA-N	1	0	360.502	1.943	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cn(CC)nc2C)C[C@H]1c1cncn1C	ZINC001131079724	940492167	/nfs/dbraw/zinc/49/21/67/940492167.db2.gz	QVFKSYIUZVFKOT-IAGOWNOFSA-N	1	0	354.458	1.166	20	30		FDEDRO
CCC(CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CCOC)C1	ZINC001131099582	940492643	/nfs/dbraw/zinc/49/26/43/940492643.db2.gz	UMYCUFCCVJPNTQ-QZTJIDSGSA-N	1	0	360.502	1.780	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCCCO2)C[C@H]1c1cncn1C	ZINC001131086368	940493580	/nfs/dbraw/zinc/49/35/80/940493580.db2.gz	ODQRGANNXUBPMO-RCCFBDPRSA-N	1	0	358.486	1.677	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnc(C)nc2C)C[C@H]1c1cncn1C	ZINC001131089374	940494525	/nfs/dbraw/zinc/49/45/25/940494525.db2.gz	DDRLDNYMEJENLL-QZTJIDSGSA-N	1	0	368.485	1.991	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]cn2)C[C@H]1c1cncn1C	ZINC001131089472	940494790	/nfs/dbraw/zinc/49/47/90/940494790.db2.gz	IWVWRDTZXLHHDN-USXIJHARSA-N	1	0	356.474	1.482	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2ncccn2)C[C@H]1c1cncn1C	ZINC001131091850	940495965	/nfs/dbraw/zinc/49/59/65/940495965.db2.gz	SKYLNRNAUUNTBH-IAGOWNOFSA-N	1	0	368.485	1.693	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COc2ccccc2)C[C@H]1c1cncn1C	ZINC001131113167	940499363	/nfs/dbraw/zinc/49/93/63/940499363.db2.gz	WCQHTVNLKJDPCY-QZTJIDSGSA-N	1	0	352.438	1.406	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cccn2)C[C@H]1c1cncn1C	ZINC001131103431	940500951	/nfs/dbraw/zinc/50/09/51/940500951.db2.gz	KCWCBKIMRXOTPI-GVDBMIGSSA-N	1	0	356.474	1.728	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cccn2)C[C@H]1c1cncn1C	ZINC001131103605	940501055	/nfs/dbraw/zinc/50/10/55/940501055.db2.gz	SILRLSVEEAMLAQ-BRWVUGGUSA-N	1	0	354.458	1.175	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc3nccn3c2)C[C@H]1c1cncn1C	ZINC001131107906	940502489	/nfs/dbraw/zinc/50/24/89/940502489.db2.gz	FXNSYMYRMVQQFO-IAGOWNOFSA-N	1	0	362.437	1.289	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)NC(C)=O)C[C@H]1c1cncn1C	ZINC001131115481	940503557	/nfs/dbraw/zinc/50/35/57/940503557.db2.gz	ORIUXGJGMKHKKG-IXDOHACOSA-N	1	0	361.490	1.041	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCc2nc(C)no2)C[C@H]1c1cncn1C	ZINC001131120896	940506313	/nfs/dbraw/zinc/50/63/13/940506313.db2.gz	BUAMKFYXZHOIHO-HUUCEWRRSA-N	1	0	358.446	1.204	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCOc2ccccc2)C[C@H]1c1cncn1C	ZINC001131123382	940507061	/nfs/dbraw/zinc/50/70/61/940507061.db2.gz	FVLOLSGKDVYUFQ-RTBURBONSA-N	1	0	366.465	1.797	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](F)Cc2ccccc2)C[C@H]1c1cncn1C	ZINC001131126338	940508143	/nfs/dbraw/zinc/50/81/43/940508143.db2.gz	XUJSFNUMLSMETQ-GUDVDZBRSA-N	1	0	368.456	1.908	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@](C)(NC(C)=O)C(C)C)C[C@H]1c1cncn1C	ZINC001131130621	940511303	/nfs/dbraw/zinc/51/13/03/940511303.db2.gz	WAUPJNJQBKEEFH-GPMSIDNRSA-N	1	0	361.490	1.041	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(N(C)C)ccn2)C[C@H]1c1cncn1C	ZINC001131132188	940512317	/nfs/dbraw/zinc/51/23/17/940512317.db2.gz	BPIBXVWFYOBSJS-SJLPKXTDSA-N	1	0	366.469	1.102	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2nn(CC)nc2C)C[C@H]1c1cncn1C	ZINC001131136227	940513310	/nfs/dbraw/zinc/51/33/10/940513310.db2.gz	CDOBLDSIGZMWFM-HZPDHXFCSA-N	1	0	371.489	1.504	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)C(N)=O)C[C@H]1c1cncn1C	ZINC001131136291	940513340	/nfs/dbraw/zinc/51/33/40/940513340.db2.gz	FYSBHUCBGVCOBD-BZUAXINKSA-N	1	0	361.490	1.028	20	30		FDEDRO
C=CCOc1ccc(/C=C\C(=O)N[C@@H](CO)C[NH+]2CCCC2)cc1OC	ZINC000808217842	940528892	/nfs/dbraw/zinc/52/88/92/940528892.db2.gz	DSZIPAWXABWFQD-NBEHIINDSA-N	1	0	360.454	1.846	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3n[nH]c(C)c3C)C2)C1=O	ZINC001086662389	940538471	/nfs/dbraw/zinc/53/84/71/940538471.db2.gz	NIOFRIUHXBJUBI-ARFHVFGLSA-N	1	0	359.474	1.302	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ncoc3CC)C2)C1=O	ZINC001086662797	940539775	/nfs/dbraw/zinc/53/97/75/940539775.db2.gz	IUQPFKGCDHPSFT-ZNMIVQPWSA-N	1	0	360.458	1.512	20	30		FDEDRO
CCCCCCCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000808342167	940540465	/nfs/dbraw/zinc/54/04/65/940540465.db2.gz	RMBZEGYYZIBCRR-ZWKOTPCHSA-N	1	0	367.534	1.957	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2nnn(C)c2C)C1	ZINC001086663736	940544465	/nfs/dbraw/zinc/54/44/65/940544465.db2.gz	DZUQVWYSJOXOMT-NWDGAFQWSA-N	1	0	356.268	1.520	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C(C)(C)F)C1	ZINC001131297888	940545111	/nfs/dbraw/zinc/54/51/11/940545111.db2.gz	NZJGIMJCBUEFFM-ZNMIVQPWSA-N	1	0	353.438	1.807	20	30		FDEDRO
C[NH+](C)CCOc1ccc(/C=C/C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1	ZINC000808400413	940545611	/nfs/dbraw/zinc/54/56/11/940545611.db2.gz	LQISXJMKODZUSW-CEQQRPIWSA-N	1	0	368.481	1.839	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCSC)C1	ZINC001131301005	940546792	/nfs/dbraw/zinc/54/67/92/940546792.db2.gz	ISFYKWGRKCKRNC-XHSDSOJGSA-N	1	0	367.515	1.812	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CCCC)C[C@H]32)C1	ZINC001131307015	940548720	/nfs/dbraw/zinc/54/87/20/940548720.db2.gz	FXOUCLZRIDUUJY-OAGGEKHMSA-N	1	0	351.447	1.095	20	30		FDEDRO
CC/C=C/CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C#CC2CC2)C1	ZINC001131306920	940548734	/nfs/dbraw/zinc/54/87/34/940548734.db2.gz	CEYJRPPVCPEGGC-IGBSGPOWSA-N	1	0	371.481	1.862	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C2(COC)CC2)C1	ZINC001131310068	940549757	/nfs/dbraw/zinc/54/97/57/940549757.db2.gz	GPVLVKCLECDGPZ-XHSDSOJGSA-N	1	0	363.458	1.095	20	30		FDEDRO
C#CCCCCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CC4CC4)C[C@H]32)C1	ZINC001131310525	940550376	/nfs/dbraw/zinc/55/03/76/940550376.db2.gz	URXAMXBQKLMYOT-KSZLIROESA-N	1	0	359.470	1.696	20	30		FDEDRO
C=CCCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1	ZINC001131369611	940557761	/nfs/dbraw/zinc/55/77/61/940557761.db2.gz	PLDHIMRMROLXRR-JENIJYKNSA-N	1	0	363.502	1.418	20	30		FDEDRO
CC(C)N1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1=O	ZINC001086667476	940559665	/nfs/dbraw/zinc/55/96/65/940559665.db2.gz	JMIULBMUHIZWGS-NUEKZKHPSA-N	1	0	357.458	1.384	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCCCC3)C2)c1	ZINC001086668606	940563663	/nfs/dbraw/zinc/56/36/63/940563663.db2.gz	UIUJZQGNKSKSQA-DOTOQJQBSA-N	1	0	371.485	1.777	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccoc2C)CC1	ZINC001131416495	940567577	/nfs/dbraw/zinc/56/75/77/940567577.db2.gz	HPOGDHIMIKOZQB-MOPGFXCFSA-N	1	0	360.454	1.837	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)/C=C(/C)C2CC2)CC1	ZINC001131434020	940597571	/nfs/dbraw/zinc/59/75/71/940597571.db2.gz	NWYZFKVSIRWHHT-YOEPJQAMSA-N	1	0	360.498	1.978	20	30		FDEDRO
C=CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N[C@@H](C)CC)CC1	ZINC001131448773	940602742	/nfs/dbraw/zinc/60/27/42/940602742.db2.gz	QGNCCCADDXDLGW-VPWXQRGCSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cnn(C)c2)CC1	ZINC001131453994	940607809	/nfs/dbraw/zinc/60/78/09/940607809.db2.gz	IBLNGPGLGAIOBO-MJGOQNOKSA-N	1	0	362.474	1.108	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3n[nH]c(C)c3c1)C2	ZINC001110103172	940617777	/nfs/dbraw/zinc/61/77/77/940617777.db2.gz	HVPYVAQTIXERNI-PVAVHDDUSA-N	1	0	355.442	1.804	20	30		FDEDRO
C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCCOC)CC1	ZINC001131461610	940619892	/nfs/dbraw/zinc/61/98/92/940619892.db2.gz	RKYVTJYZIHABRM-MJGOQNOKSA-N	1	0	354.491	1.601	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H]2COC(=O)C2)CC1	ZINC001131467710	940624107	/nfs/dbraw/zinc/62/41/07/940624107.db2.gz	MZSASEIBDSIKGZ-MDYRTPRTSA-N	1	0	364.486	1.892	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ncccc2C)CC1	ZINC001131472892	940627478	/nfs/dbraw/zinc/62/74/78/940627478.db2.gz	DAEZJHNECLLXOP-QUCCMNQESA-N	1	0	371.481	1.639	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn(C3CCC3)nn2)CC1	ZINC001131498463	940648418	/nfs/dbraw/zinc/64/84/18/940648418.db2.gz	AAXGVESCFZWUNZ-MJGOQNOKSA-N	1	0	371.485	1.626	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2ccn(C)n2)CC1	ZINC001131500273	940651154	/nfs/dbraw/zinc/65/11/54/940651154.db2.gz	OWFXXWMVVJFZMH-QUCCMNQESA-N	1	0	360.502	1.915	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(C)nnc2C)CC1	ZINC001131502833	940653175	/nfs/dbraw/zinc/65/31/75/940653175.db2.gz	MCSOTKMWZYKLIY-MOPGFXCFSA-N	1	0	356.470	1.716	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@]23C[C@H]2COC3)CC1	ZINC001131503274	940653667	/nfs/dbraw/zinc/65/36/67/940653667.db2.gz	VGVQCICCEILRDW-DMUMMCEESA-N	1	0	364.486	1.211	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)C(N)=O)CC1	ZINC001131515677	940681445	/nfs/dbraw/zinc/68/14/45/940681445.db2.gz	YBGXXQHCGPPNKM-OIISXLGYSA-N	1	0	365.518	1.838	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCc3nccn32)CC1	ZINC001131517375	940684397	/nfs/dbraw/zinc/68/43/97/940684397.db2.gz	NDUXAZSPPMQSFK-HBFSDRIKSA-N	1	0	370.497	1.770	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(C3CC3)n(C)n2)CC1	ZINC001131512302	940694538	/nfs/dbraw/zinc/69/45/38/940694538.db2.gz	XNFZLCKJPUOEQT-XLIONFOSSA-N	1	0	370.497	1.920	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@]2(C)CNC(=O)C2)CC1	ZINC001131533408	940703817	/nfs/dbraw/zinc/70/38/17/940703817.db2.gz	CABYKNMAKJRIME-IMFGXOCKSA-N	1	0	363.502	1.465	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(N(C)C)nc2)CC1	ZINC001131526339	940710976	/nfs/dbraw/zinc/71/09/76/940710976.db2.gz	MTYFMHASVOZHKI-QUCCMNQESA-N	1	0	370.497	1.770	20	30		FDEDRO
C#CCCCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(N)=O)CC1	ZINC001131543667	940719560	/nfs/dbraw/zinc/71/95/60/940719560.db2.gz	NUUOHWNNUJYNKX-SUMDDJOVSA-N	1	0	363.502	1.430	20	30		FDEDRO
CC#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCO)CC1	ZINC001131545724	940721224	/nfs/dbraw/zinc/72/12/24/940721224.db2.gz	BXTFWVAKRBZGKQ-QUCCMNQESA-N	1	0	366.502	1.175	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NCC)CC1	ZINC001131545718	940721295	/nfs/dbraw/zinc/72/12/95/940721295.db2.gz	BTKKZWWZCMBRLN-WBVHZDCISA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](OC)C(C)C)CC1	ZINC001131555467	940730706	/nfs/dbraw/zinc/73/07/06/940730706.db2.gz	HVLHENAQVAKWOW-QYZOEREBSA-N	1	0	368.518	1.846	20	30		FDEDRO
C=CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2nncn2C)CC1	ZINC001131555789	940731184	/nfs/dbraw/zinc/73/11/84/940731184.db2.gz	XBXVVLJUMYLDBV-APWZRJJASA-N	1	0	361.490	1.657	20	30		FDEDRO
C=CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H]2CCN(C)C2=O)CC1	ZINC001131558286	940732798	/nfs/dbraw/zinc/73/27/98/940732798.db2.gz	RUDMJNZQTWNHMV-LMMKCTJWSA-N	1	0	363.502	1.559	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCCO)CC2)c1	ZINC001131562386	940736089	/nfs/dbraw/zinc/73/60/89/940736089.db2.gz	RJPGXAXPLFKSFU-MOPGFXCFSA-N	1	0	357.454	1.045	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)OCc2ccncc2)CC1	ZINC001131567376	940742772	/nfs/dbraw/zinc/74/27/72/940742772.db2.gz	IGYOQMQMZIAKPU-AHRSYUTCSA-N	1	0	371.481	1.606	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC1	ZINC001131567211	940742813	/nfs/dbraw/zinc/74/28/13/940742813.db2.gz	DQWOQGPTZCZSIT-NMLBUPMWSA-N	1	0	370.497	1.533	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC1	ZINC001131571222	940747445	/nfs/dbraw/zinc/74/74/45/940747445.db2.gz	HAABDLBGTRGAGJ-OIISXLGYSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOC)CC1	ZINC001131578224	940755161	/nfs/dbraw/zinc/75/51/61/940755161.db2.gz	MRVWKXRXHBMPCL-RDGPPVDQSA-N	1	0	366.502	1.600	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2oncc2C)CC1	ZINC001131588065	940756953	/nfs/dbraw/zinc/75/69/53/940756953.db2.gz	OLNQXBIHSVBASG-AEFFLSMTSA-N	1	0	361.442	1.232	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCCCOC)CC1	ZINC001131590823	940760721	/nfs/dbraw/zinc/76/07/21/940760721.db2.gz	VCCJKTCJXFSCIU-MJGOQNOKSA-N	1	0	352.475	1.049	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(C(=O)N(C)C)CC2)CC1	ZINC001131590657	940760841	/nfs/dbraw/zinc/76/08/41/940760841.db2.gz	MZXANXLBPFWIIP-SJORKVTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCc3n[nH]cc3C2)CC1	ZINC001131593283	940764672	/nfs/dbraw/zinc/76/46/72/940764672.db2.gz	VNPLDYLCNDEWQW-DBVUQKKJSA-N	1	0	370.497	1.524	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H]2CCC(=O)N2)CC1	ZINC001131580473	940766920	/nfs/dbraw/zinc/76/69/20/940766920.db2.gz	SJAHEUWPBJNDDE-HLIPFELVSA-N	1	0	363.502	1.607	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn(C(F)F)c2)CC1	ZINC001131583176	940769581	/nfs/dbraw/zinc/76/95/81/940769581.db2.gz	TVUMCUSESTYVMM-CVEARBPZSA-N	1	0	366.412	1.901	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)OCCOCC)CC1	ZINC001131606906	940772872	/nfs/dbraw/zinc/77/28/72/940772872.db2.gz	MGSKVUKLVJJANX-QRQLOZEOSA-N	1	0	368.518	1.990	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)[C@@H](C)CC)CC1	ZINC001131604736	940773854	/nfs/dbraw/zinc/77/38/54/940773854.db2.gz	DQUPDNAYAUALMD-LESCRADOSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)[C@H](C)CC)CC1	ZINC001131604787	940774259	/nfs/dbraw/zinc/77/42/59/940774259.db2.gz	HAEFLVMFENFFRU-SUMDDJOVSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](NC(C)=O)C(C)C)CC1	ZINC001131594752	940776900	/nfs/dbraw/zinc/77/69/00/940776900.db2.gz	CNJYJPPAZOWGPZ-KURKYZTESA-N	1	0	351.491	1.319	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C(C)=O)CC1	ZINC001131595455	940778303	/nfs/dbraw/zinc/77/83/03/940778303.db2.gz	XXQIPKVZQSVZDH-QYZOEREBSA-N	1	0	361.486	1.006	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCCCNC(C)=O)CC1	ZINC001131601501	940785219	/nfs/dbraw/zinc/78/52/19/940785219.db2.gz	FWYHTAPBKDLSDO-QUCCMNQESA-N	1	0	363.502	1.302	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(C(N)=O)cc2)CC1	ZINC001131601511	940785366	/nfs/dbraw/zinc/78/53/66/940785366.db2.gz	GGSBBSXHFPWLFL-MOPGFXCFSA-N	1	0	369.465	1.408	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)C(C)(C)C)CC1	ZINC001131602346	940785730	/nfs/dbraw/zinc/78/57/30/940785730.db2.gz	UGCGCQUTAVCIED-AEFFLSMTSA-N	1	0	365.518	1.711	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCOc2cccnc2)CC1	ZINC001131606936	940786197	/nfs/dbraw/zinc/78/61/97/940786197.db2.gz	ODZWNDHOBVMJHJ-CTNGQTDRSA-N	1	0	371.481	1.860	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCCOCC)CC1	ZINC001131610434	940790539	/nfs/dbraw/zinc/79/05/39/940790539.db2.gz	QJLVAYMGJIKPNN-MJGOQNOKSA-N	1	0	354.491	1.601	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCC(N)=O)CC1	ZINC001131612232	940791989	/nfs/dbraw/zinc/79/19/89/940791989.db2.gz	DFKBVYUUNYWDIH-APWZRJJASA-N	1	0	351.491	1.594	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCCc2ccccc2)CC1	ZINC001131612589	940792076	/nfs/dbraw/zinc/79/20/76/940792076.db2.gz	LNJBZIWVCPMFLA-IRLDBZIGSA-N	1	0	370.493	1.865	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)N(CC[NH+](CC)CC)CC(C)C)[C@H]1CCCO1	ZINC000809304771	940809408	/nfs/dbraw/zinc/80/94/08/940809408.db2.gz	QATPIHBEQZEDNM-IAGOWNOFSA-N	1	0	351.491	1.110	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1C#N	ZINC000809502320	940844828	/nfs/dbraw/zinc/84/48/28/940844828.db2.gz	KSGAKLVZUPGDBZ-WBVHZDCISA-N	1	0	370.453	1.126	20	30		FDEDRO
C#Cc1ccc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000809609428	940866404	/nfs/dbraw/zinc/86/64/04/940866404.db2.gz	DCDOCSVZJNNALQ-UHFFFAOYSA-N	1	0	359.407	1.644	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)cc1	ZINC000809705469	940889214	/nfs/dbraw/zinc/88/92/14/940889214.db2.gz	TZDHQNDMQLMWNI-MUKKUYKPSA-N	1	0	356.426	1.930	20	30		FDEDRO
C#CCCCS(=O)(=O)N(C[C@@H](O)CC(C)(C)C)C1CC[NH+](C)CC1	ZINC000809843726	940905861	/nfs/dbraw/zinc/90/58/61/940905861.db2.gz	QNXFMMSQZVSWMR-KRWDZBQOSA-N	1	0	358.548	1.923	20	30		FDEDRO
Cn1c(Cl)cnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1	ZINC001086676467	940948878	/nfs/dbraw/zinc/94/88/78/940948878.db2.gz	DXIGWLARAHLSDV-WCQYABFASA-N	1	0	360.849	1.962	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCCC3)C2)c[nH]1	ZINC001086676823	940949487	/nfs/dbraw/zinc/94/94/87/940949487.db2.gz	WQEZNRZZSFLZBG-GOEBONIOSA-N	1	0	357.458	1.387	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1	ZINC000810071060	940951900	/nfs/dbraw/zinc/95/19/00/940951900.db2.gz	VSGVQWJNHMEWMP-NEPJUHHUSA-N	1	0	360.380	1.328	20	30		FDEDRO
Cn1ncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(C#N)ccc3F)C2)c1N	ZINC001086679231	941014853	/nfs/dbraw/zinc/01/48/53/941014853.db2.gz	HLBFNXUGCVZIKL-DZGCQCFKSA-N	1	0	370.432	1.701	20	30		FDEDRO
Cn1ncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)c1N	ZINC001086679136	941016913	/nfs/dbraw/zinc/01/69/13/941016913.db2.gz	CEYQWUCSXLATLE-JKSUJKDBSA-N	1	0	352.442	1.562	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000811530523	941138917	/nfs/dbraw/zinc/13/89/17/941138917.db2.gz	JLEPGNFKCVXVAO-BEFAXECRSA-N	1	0	367.490	1.467	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(=O)N(Cc2ccccc2)C2CC2)CC1	ZINC000747816592	941273898	/nfs/dbraw/zinc/27/38/98/941273898.db2.gz	JRCXLQIWZXCCHT-UHFFFAOYSA-N	1	0	353.466	1.639	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)CC1	ZINC000747825255	941287984	/nfs/dbraw/zinc/28/79/84/941287984.db2.gz	VURQYYWMYGLUOD-LSDHHAIUSA-N	1	0	359.445	1.853	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](Cc2cc(=O)oc3cc(OC)ccc23)CC1	ZINC000747825152	941288905	/nfs/dbraw/zinc/28/89/05/941288905.db2.gz	VIRFVMQAYYSZBE-UHFFFAOYSA-N	1	0	354.406	1.763	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1	ZINC001086710894	941360698	/nfs/dbraw/zinc/36/06/98/941360698.db2.gz	OVODBMJLFVMZEW-RRFJBIMHSA-N	1	0	357.882	1.108	20	30		FDEDRO
CN1C[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)CC1=O	ZINC001086711520	941369764	/nfs/dbraw/zinc/36/97/64/941369764.db2.gz	QLLJLEQNZMBZEA-OKZBNKHCSA-N	1	0	354.454	1.411	20	30		FDEDRO
CN1C[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)CC1=O	ZINC001086711674	941371713	/nfs/dbraw/zinc/37/17/13/941371713.db2.gz	XMDUDKCURCYKAV-JCGIZDLHSA-N	1	0	354.454	1.411	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)COc1cc(C)ccc1C	ZINC001134061929	941540826	/nfs/dbraw/zinc/54/08/26/941540826.db2.gz	KDZMVCKAEFBPLT-KURKYZTESA-N	1	0	362.470	1.340	20	30		FDEDRO
CC(C)(O)C[NH+]1CCC(=NNC(=S)NCCc2cccs2)CC1	ZINC000814217329	941590219	/nfs/dbraw/zinc/59/02/19/941590219.db2.gz	BYDBRBLOMMBECQ-UHFFFAOYSA-N	1	0	354.545	1.977	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cn[nH]c(=O)c3)C2)c1	ZINC001086725417	941726006	/nfs/dbraw/zinc/72/60/06/941726006.db2.gz	ZQVFOFIOGQMPAD-XJKSGUPXSA-N	1	0	369.400	1.881	20	30		FDEDRO
C#CCNC(=O)CC[N@@H+](C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1	ZINC000815047122	941760260	/nfs/dbraw/zinc/76/02/60/941760260.db2.gz	FCLZTNHQGACIQP-CQSZACIVSA-N	1	0	358.360	1.516	20	30		FDEDRO
CN1CCN(C)CCN(S(=O)(=O)c2cccc(C#N)c2Cl)CC1	ZINC001195304199	970836465	/nfs/dbraw/zinc/83/64/65/970836465.db2.gz	QCUFTKKSMRSFFP-UHFFFAOYSA-N	1	0	356.879	1.080	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@@H](CC)c1ccccc1OCC(=O)N1CCCC1	ZINC000815082021	941776617	/nfs/dbraw/zinc/77/66/17/941776617.db2.gz	XIORTNFHFOLRCQ-SFHVURJKSA-N	1	0	371.481	1.868	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1cccc(CC(=O)OCC)c1	ZINC000815082571	941776901	/nfs/dbraw/zinc/77/69/01/941776901.db2.gz	ZIWGKATYZBTVNC-UHFFFAOYSA-N	1	0	352.456	1.026	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(C(=O)OC)cc1Cl	ZINC000815082692	941777100	/nfs/dbraw/zinc/77/71/00/941777100.db2.gz	DKSGDLYBEATPMW-UHFFFAOYSA-N	1	0	358.847	1.360	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)COc1ccccc1	ZINC001135064665	941881487	/nfs/dbraw/zinc/88/14/87/941881487.db2.gz	HDDQOGTXIZEZHJ-WDSOQIARSA-N	1	0	362.470	1.503	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)COc1ccc(F)cc1	ZINC001135142294	941927870	/nfs/dbraw/zinc/92/78/70/941927870.db2.gz	NUYNVPLFIINCCU-SZMVWBNQSA-N	1	0	366.433	1.252	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@@H](CC)C(=O)Nc1cc(C)on1	ZINC001135145193	941929254	/nfs/dbraw/zinc/92/92/54/941929254.db2.gz	BDMXETZWYJLLJN-DZKIICNBSA-N	1	0	364.446	1.387	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccnn1C(C)C	ZINC001135147458	941942174	/nfs/dbraw/zinc/94/21/74/941942174.db2.gz	HZGJLFAFESZTBT-YOEHRIQHSA-N	1	0	363.462	1.090	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccc2c(c1)CCC2	ZINC001135147440	941942261	/nfs/dbraw/zinc/94/22/61/941942261.db2.gz	GZYRKGAMRWVJPT-ICSRJNTNSA-N	1	0	371.481	1.801	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N	ZINC000815859755	941995390	/nfs/dbraw/zinc/99/53/90/941995390.db2.gz	LVWNDZMYHFCSKM-UHFFFAOYSA-N	1	0	360.483	1.927	20	30		FDEDRO
C#CC[N@@H+](CC#CC)C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1	ZINC000816513292	942238394	/nfs/dbraw/zinc/23/83/94/942238394.db2.gz	LYDFYWOOIVLBJR-KRWDZBQOSA-N	1	0	361.486	1.708	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3nncn3CC2)C1	ZINC001086761110	942384558	/nfs/dbraw/zinc/38/45/58/942384558.db2.gz	OHDHLUQWAOBERY-RRFJBIMHSA-N	1	0	351.882	1.858	20	30		FDEDRO
CN1C(=O)CC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001086784679	942495487	/nfs/dbraw/zinc/49/54/87/942495487.db2.gz	KIBGALCHWOQZBG-BMGDILEWSA-N	1	0	354.454	1.554	20	30		FDEDRO
C#CCNC(=O)CC[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C	ZINC000817292242	942661246	/nfs/dbraw/zinc/66/12/46/942661246.db2.gz	KJWAOTUZEZDZTL-PMPSAXMXSA-N	1	0	351.491	1.997	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ncnn2C(C)C)C1	ZINC001086806482	942805426	/nfs/dbraw/zinc/80/54/26/942805426.db2.gz	VUBVRCGJDQIYRB-HZMVEIRTSA-N	1	0	361.490	1.825	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c1	ZINC000817843962	943007463	/nfs/dbraw/zinc/00/74/63/943007463.db2.gz	NDFAVBKIWNKTEF-IBGZPJMESA-N	1	0	353.466	1.761	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)c1	ZINC000817816520	943019612	/nfs/dbraw/zinc/01/96/12/943019612.db2.gz	CBNMYPOWLSERKO-UHFFFAOYSA-N	1	0	369.465	1.045	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O	ZINC001195422637	970957772	/nfs/dbraw/zinc/95/77/72/970957772.db2.gz	HABILINUKVRAOB-ZIAGYGMSSA-N	1	0	350.381	1.310	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]([NH3+])C2CCC2)c1	ZINC000817922652	943079629	/nfs/dbraw/zinc/07/96/29/943079629.db2.gz	ITDHUWDQQDNYAC-UKEODDKASA-N	1	0	364.471	1.565	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CC2(C[NH3+])CC2)cc1	ZINC000817923082	943080662	/nfs/dbraw/zinc/08/06/62/943080662.db2.gz	REOQWWLFOHHJIA-HMMYKYKNSA-N	1	0	364.471	1.567	20	30		FDEDRO
C=CCn1cc(C[NH2+][C@H](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)nn1	ZINC000818347143	943211878	/nfs/dbraw/zinc/21/18/78/943211878.db2.gz	MSYUMLKOZWMWEU-GDBMZVCRSA-N	1	0	365.478	1.968	20	30		FDEDRO
COc1ccccc1[C@@H](NC[C@@H](O)CN(C)CCC#N)c1nccn1C	ZINC000818946648	943356692	/nfs/dbraw/zinc/35/66/92/943356692.db2.gz	SJAXVXGDSBJZCQ-CRAIPNDOSA-N	1	0	357.458	1.314	20	30		FDEDRO
O=C(NCC[NH2+]C[C@H](O)COc1ccccc1Cl)C1N=CC=CC1=O	ZINC000819052254	943396127	/nfs/dbraw/zinc/39/61/27/943396127.db2.gz	AUIOSCRNICMXBR-ICDILTBESA-N	1	0	365.817	1.196	20	30		FDEDRO
O=C(NCC[NH2+]C[C@H](O)COc1ccc(Cl)cc1)C1N=CC=CC1=O	ZINC000819052323	943396152	/nfs/dbraw/zinc/39/61/52/943396152.db2.gz	CLQCWNKQPFBGME-WPCFGXOUSA-N	1	0	365.817	1.196	20	30		FDEDRO
Cc1cc(C)cc(OC[C@H](O)C[NH2+]CCNC(=O)C2N=CC=CC2=O)c1	ZINC000819055761	943397352	/nfs/dbraw/zinc/39/73/52/943397352.db2.gz	WTAIJNJMRFWOCJ-RAJOGRCSSA-N	1	0	359.426	1.159	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCCC2=O)C1	ZINC001086824667	943413421	/nfs/dbraw/zinc/41/34/21/943413421.db2.gz	SXPSOUGQCATOKR-ZMMAXQRCSA-N	1	0	363.502	1.465	20	30		FDEDRO
C#CCSCC[NH2+]C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1	ZINC000819095513	943417902	/nfs/dbraw/zinc/41/79/02/943417902.db2.gz	HDQDEUZBLDUDHL-SFHVURJKSA-N	1	0	363.527	1.134	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCCCN(C(=O)OC(C)(C)C)C1	ZINC000819062319	943426403	/nfs/dbraw/zinc/42/64/03/943426403.db2.gz	WSGSEUSMKPQZNU-HOTGVXAUSA-N	1	0	354.495	1.572	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nccn3CC)C2)nn1	ZINC001086824421	943432220	/nfs/dbraw/zinc/43/22/20/943432220.db2.gz	HGEJTCHBADGPRH-JKSUJKDBSA-N	1	0	371.489	1.759	20	30		FDEDRO
C#CCOc1ccc(C[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)cc1	ZINC000819351000	943537259	/nfs/dbraw/zinc/53/72/59/943537259.db2.gz	XOAIPAUYIUVMNY-IBGZPJMESA-N	1	0	359.447	1.925	20	30		FDEDRO
C=CCn1cc(C[NH2+]C[C@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)nn1	ZINC000819382657	943565869	/nfs/dbraw/zinc/56/58/69/943565869.db2.gz	PSXCRXJRFGBYJK-SFHVURJKSA-N	1	0	365.478	1.706	20	30		FDEDRO
C#C[C@H](NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Br)cc1	ZINC000820615962	944121128	/nfs/dbraw/zinc/12/11/28/944121128.db2.gz	FKSRFIHRZBGDSP-HOCLYGCPSA-N	1	0	366.259	1.489	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(OC)o3)C2)C1=O	ZINC001086837427	944156906	/nfs/dbraw/zinc/15/69/06/944156906.db2.gz	CJEJLQQINMVFSE-RRFJBIMHSA-N	1	0	361.442	1.563	20	30		FDEDRO
C=CCN(CC(=O)OCC)C(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1	ZINC000821329648	944421543	/nfs/dbraw/zinc/42/15/43/944421543.db2.gz	JWZJEKJAACGXCN-UHFFFAOYSA-N	1	0	374.441	1.495	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000822238260	944907618	/nfs/dbraw/zinc/90/76/18/944907618.db2.gz	YRUIVGMYJHSSLE-UXHICEINSA-N	1	0	373.497	1.915	20	30		FDEDRO
COC(=O)C1=S=c2cc(NC(=[NH2+])c3ccc(C(=O)OC)cc3)ccc2=C1	ZINC001170985760	944971014	/nfs/dbraw/zinc/97/10/14/944971014.db2.gz	YNVIXKYXAVIXIX-UHFFFAOYSA-N	1	0	368.414	1.634	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1	ZINC000822453615	945007430	/nfs/dbraw/zinc/00/74/30/945007430.db2.gz	KZSRWWDDFCLSDS-INIZCTEOSA-N	1	0	362.495	1.945	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)c1ccncc1	ZINC000805813493	945470497	/nfs/dbraw/zinc/47/04/97/945470497.db2.gz	JTPXTEIDJVHYDH-ROUUACIJSA-N	1	0	374.485	1.384	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccncc1	ZINC000805816185	945533992	/nfs/dbraw/zinc/53/39/92/945533992.db2.gz	YVZKRCPRGAWTJT-ROUUACIJSA-N	1	0	356.470	1.902	20	30		FDEDRO
CC[NH+](CC)[C@H](C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C)C(C)C	ZINC001090753594	946286424	/nfs/dbraw/zinc/28/64/24/946286424.db2.gz	ZMUXOSWBSVEMPS-KYJSFNMBSA-N	1	0	358.490	1.656	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCS(=O)(=O)N1)C2	ZINC001110107833	946293111	/nfs/dbraw/zinc/29/31/11/946293111.db2.gz	WWALUJYTWGXPGU-WCVJEAGWSA-N	1	0	355.504	1.146	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)C(=O)c2ccccc2)C1	ZINC001195783330	971224779	/nfs/dbraw/zinc/22/47/79/971224779.db2.gz	IYVBMBIEVXWKKR-CGTJXYLNSA-N	1	0	359.470	1.275	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1	ZINC001090787921	946620333	/nfs/dbraw/zinc/62/03/33/946620333.db2.gz	CVXCMXKLAJKWOO-GDBMZVCRSA-N	1	0	370.501	1.942	20	30		FDEDRO
C#CCCCCCC(=O)N(C)C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1	ZINC001573281765	946679165	/nfs/dbraw/zinc/67/91/65/946679165.db2.gz	BFHWRRSCOZVMAG-CQSZACIVSA-N	1	0	355.446	1.526	20	30		FDEDRO
C#CCCCC(=O)NC/C=C\C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573283911	946730050	/nfs/dbraw/zinc/73/00/50/946730050.db2.gz	NVKXGSSGRVDFAE-WAYWQWQTSA-N	1	0	356.405	1.571	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CCCCNc1nc(Cl)c(CC)nc1C(N)=O	ZINC001171068449	946773205	/nfs/dbraw/zinc/77/32/05/946773205.db2.gz	YLQJHZOULPIONJ-JTQLQIEISA-N	1	0	369.853	1.430	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@H](C)CC[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573285781	946786952	/nfs/dbraw/zinc/78/69/52/946786952.db2.gz	NIZOHVXVRGDYEJ-CHWSQXEVSA-N	1	0	374.420	1.029	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CCCCNc1cnc(C(=O)OC)cc1OC	ZINC001171069992	946816096	/nfs/dbraw/zinc/81/60/96/946816096.db2.gz	UVXXJQRQJSTTEX-LBPRGKRZSA-N	1	0	351.403	1.516	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CCCCNc1ccc(O[C@H]2CCC[NH2+]C2)nn1	ZINC001171070713	946852652	/nfs/dbraw/zinc/85/26/52/946852652.db2.gz	ILKVWPCHPJTDMD-GJZGRUSLSA-N	1	0	363.462	1.246	20	30		FDEDRO
C#CCOc1ccc(C[NH2+]Cc2cnc(N3CCN(C)CC3)nc2)cc1	ZINC000824926490	946880483	/nfs/dbraw/zinc/88/04/83/946880483.db2.gz	PNAIJXAJTOZUHK-UHFFFAOYSA-N	1	0	351.454	1.530	20	30		FDEDRO
C#Cc1cncc(C(=O)NCC[N@@H+](C)Cc2ccccc2-c2nn[nH]n2)c1	ZINC001573292654	946938118	/nfs/dbraw/zinc/93/81/18/946938118.db2.gz	ZEFZGFZQCYSGIF-UHFFFAOYSA-N	1	0	361.409	1.105	20	30		FDEDRO
CC(C)[C@H](CCN(C)C(=O)[C@@H](C)C#N)Nc1cc[nH+]cc1-c1nn[nH]n1	ZINC001573561398	946961652	/nfs/dbraw/zinc/96/16/52/946961652.db2.gz	KCSMRPLCCQRSFS-JSGCOSHPSA-N	1	0	356.434	1.128	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)CC(C)(C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573562421	946974844	/nfs/dbraw/zinc/97/48/44/946974844.db2.gz	TZUWFWNSXWYARI-LBPRGKRZSA-N	1	0	373.436	1.740	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CC1	ZINC001573562630	946976386	/nfs/dbraw/zinc/97/63/86/946976386.db2.gz	VGQTVNUDCJXSLJ-MEDUHNTESA-N	1	0	371.420	1.492	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)Nc1ccc(OC(F)(F)F)c(-c2nn[nH]n2)c1	ZINC001573294401	946988612	/nfs/dbraw/zinc/98/86/12/946988612.db2.gz	FDDJLHRFAIYARW-UHFFFAOYSA-N	1	0	356.308	1.822	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573564454	946993274	/nfs/dbraw/zinc/99/32/74/946993274.db2.gz	IUASVNPSMHDFOJ-DGCLKSJQSA-N	1	0	357.393	1.104	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC(C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1	ZINC001573565180	947003273	/nfs/dbraw/zinc/00/32/73/947003273.db2.gz	OBADJLSUOJLOGI-GFCCVEGCSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC001573565505	947008506	/nfs/dbraw/zinc/00/85/06/947008506.db2.gz	RKQRTEGBEIWXPC-CYBMUJFWSA-N	1	0	353.430	1.449	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573565721	947013503	/nfs/dbraw/zinc/01/35/03/947013503.db2.gz	UXTYKIFOGCJOLI-KGLIPLIRSA-N	1	0	353.430	1.307	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001573295599	947022179	/nfs/dbraw/zinc/02/21/79/947022179.db2.gz	RXCUSUYWUCNETA-FZMZJTMJSA-N	1	0	363.853	1.920	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1	ZINC001573566596	947026749	/nfs/dbraw/zinc/02/67/49/947026749.db2.gz	DNAJQTYYIHXZBB-PBHICJAKSA-N	1	0	367.457	1.839	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ccccc1-c1nn[nH]n1	ZINC001573567367	947043440	/nfs/dbraw/zinc/04/34/40/947043440.db2.gz	MEYXEYAHNPIBNN-XOKHGSTOSA-N	1	0	365.441	1.592	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573567388	947044838	/nfs/dbraw/zinc/04/48/38/947044838.db2.gz	MKCURQPDALHTBE-RISCZKNCSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1	ZINC001573567616	947049871	/nfs/dbraw/zinc/04/98/71/947049871.db2.gz	PNHKGKXIOLVYGZ-OCCSQVGLSA-N	1	0	371.420	1.588	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1	ZINC001573567590	947050240	/nfs/dbraw/zinc/05/02/40/947050240.db2.gz	PBLZMCQAOOEWIL-KUHUBIRLSA-N	1	0	365.441	1.451	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1CC	ZINC001573296946	947056454	/nfs/dbraw/zinc/05/64/54/947056454.db2.gz	CDMSPAGORMIKSK-NEPJUHHUSA-N	1	0	363.853	1.778	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F	ZINC001573567945	947058817	/nfs/dbraw/zinc/05/88/17/947058817.db2.gz	VEYBQFNFQAODRE-IUODEOHRSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573567967	947062117	/nfs/dbraw/zinc/06/21/17/947062117.db2.gz	VPFCTIIVQLOJDT-DGCLKSJQSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573567992	947062295	/nfs/dbraw/zinc/06/22/95/947062295.db2.gz	WDSXXGZZNKCOCD-BXUZGUMPSA-N	1	0	357.393	1.246	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)ccc1F	ZINC000825197235	947075524	/nfs/dbraw/zinc/07/55/24/947075524.db2.gz	VJGOIUVDJRLUOS-DGCLKSJQSA-N	1	0	355.435	1.147	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)[C@H](C)C1	ZINC001573570813	947093295	/nfs/dbraw/zinc/09/32/95/947093295.db2.gz	UKRQVBYWIVROEI-XJKCOSOUSA-N	1	0	353.430	1.210	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@](C)(C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C1CC1	ZINC001573570870	947098133	/nfs/dbraw/zinc/09/81/33/947098133.db2.gz	VXVKEGFLZHFHFV-ADLMAVQZSA-N	1	0	371.420	1.540	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CCCC1	ZINC001573571768	947102661	/nfs/dbraw/zinc/10/26/61/947102661.db2.gz	AQHIDSQZFAGCCR-CXAGYDPISA-N	1	0	367.457	1.791	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CC1	ZINC001573573098	947119600	/nfs/dbraw/zinc/11/96/00/947119600.db2.gz	MOSUZZZGMGFSTF-ZUZCIYMTSA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C(C)(C)C	ZINC001573575568	947138297	/nfs/dbraw/zinc/13/82/97/947138297.db2.gz	YXBHLYDONJXQDY-XHDPSFHLSA-N	1	0	373.436	1.786	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CC1	ZINC001573576034	947148358	/nfs/dbraw/zinc/14/83/58/947148358.db2.gz	CVGMCIRZQZHQDQ-BMIGLBTASA-N	1	0	357.393	1.150	20	30		FDEDRO
C[NH+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H](Nc2nccnc2C#N)C1	ZINC001090853884	947167975	/nfs/dbraw/zinc/16/79/75/947167975.db2.gz	OMXLAWUNAIXDKB-FUHWJXTLSA-N	1	0	364.453	1.706	20	30		FDEDRO
C=CC(C)(C)CC(=O)NC[C@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001573307332	947180956	/nfs/dbraw/zinc/18/09/56/947180956.db2.gz	QVRHWSOYJXQWRP-CQSZACIVSA-N	1	0	358.446	1.036	20	30		FDEDRO
CC(C)[C@@H](CCNC(=O)[C@@H](C)C#N)[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001573584139	947213822	/nfs/dbraw/zinc/21/38/22/947213822.db2.gz	QPIFKMJQYNVIKV-XJKSGUPXSA-N	1	0	355.446	1.647	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1	ZINC001573585670	947266336	/nfs/dbraw/zinc/26/63/36/947266336.db2.gz	HTZKKCUYWIWMKB-DAXOMENPSA-N	1	0	353.430	1.543	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cn2cc(C)cn2)C[C@H]1c1ccc(OC)cc1	ZINC001090864795	947336443	/nfs/dbraw/zinc/33/64/43/947336443.db2.gz	LENPDTGVUPGHKL-RBUKOAKNSA-N	1	0	352.438	1.418	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090868116	947375184	/nfs/dbraw/zinc/37/51/84/947375184.db2.gz	AYRKYOKPDQRTAK-RYQLBKOJSA-N	1	0	357.454	1.291	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2cncnc2)C[C@H]1c1ccc(OC)cc1	ZINC001090870590	947474827	/nfs/dbraw/zinc/47/48/27/947474827.db2.gz	JETFTGHQWVEGKP-RBUKOAKNSA-N	1	0	352.438	1.798	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090872342	947498782	/nfs/dbraw/zinc/49/87/82/947498782.db2.gz	KPZYOWXXHVVVQH-NZSAHSFTSA-N	1	0	371.481	1.634	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573336103	947500230	/nfs/dbraw/zinc/50/02/30/947500230.db2.gz	INILTAWAHXZERO-INIZCTEOSA-N	1	0	370.457	1.492	20	30		FDEDRO
C=CCCOCC(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573336165	947500888	/nfs/dbraw/zinc/50/08/88/947500888.db2.gz	JZKBXIMKTBUDDE-INIZCTEOSA-N	1	0	356.430	1.150	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cnn(C)c2C)C[C@H]1c1ccc(OC)cc1	ZINC001090872932	947504826	/nfs/dbraw/zinc/50/48/26/947504826.db2.gz	VTLXRCGDJYNWFU-VQTJNVASSA-N	1	0	366.465	1.497	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1c1ccc(OC)cc1	ZINC001090874282	947524506	/nfs/dbraw/zinc/52/45/06/947524506.db2.gz	GWONSZGVRGXOQY-DLBZAZTESA-N	1	0	352.394	1.022	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC(=O)NC2)C[C@H]1c1ccc(OC)cc1	ZINC001090874555	947528258	/nfs/dbraw/zinc/52/82/58/947528258.db2.gz	KPUUKRMPXHKLGR-AYOQOUSVSA-N	1	0	369.465	1.129	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H]([NH2+][C@H](C)C(N)=O)C1	ZINC001090877412	947533145	/nfs/dbraw/zinc/53/31/45/947533145.db2.gz	RTEOEFKYOQCBJI-XOKHGSTOSA-N	1	0	359.470	1.665	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1c1ccc(OC)cc1	ZINC001090878273	947547946	/nfs/dbraw/zinc/54/79/46/947547946.db2.gz	ORDHFLBWVPICBG-DOTOQJQBSA-N	1	0	354.410	1.162	20	30		FDEDRO
C=CCOCC(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C	ZINC001573344187	947569010	/nfs/dbraw/zinc/56/90/10/947569010.db2.gz	YISXKKLMXCGMFE-HNNXBMFYSA-N	1	0	371.445	1.185	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1c1ccc(OC)cc1	ZINC001090882586	947619272	/nfs/dbraw/zinc/61/92/72/947619272.db2.gz	KDXUGBRRBQPDMS-LSDHHAIUSA-N	1	0	361.833	1.764	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H](NCC#N)C1	ZINC001090885391	947661645	/nfs/dbraw/zinc/66/16/45/947661645.db2.gz	MVJLQSIJZZLMFO-ZCNNSNEGSA-N	1	0	370.497	1.977	20	30		FDEDRO
CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cc(-c3nn[nH]n3)c[nH]1)C2	ZINC001573358816	947670877	/nfs/dbraw/zinc/67/08/77/947670877.db2.gz	REGLCGYHNLRBFZ-YOWGUQMCSA-N	1	0	353.430	1.191	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)N1CC[NH2+]C[C@@H]1c1ccccc1	ZINC000844199052	947868173	/nfs/dbraw/zinc/86/81/73/947868173.db2.gz	SRERTSRJTUTHRP-RAJOGRCSSA-N	1	0	354.410	1.076	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)N1CC[NH2+]C[C@@H]1c1ccccc1	ZINC000844199046	947868273	/nfs/dbraw/zinc/86/82/73/947868273.db2.gz	SRERTSRJTUTHRP-AMGRQBIBSA-N	1	0	354.410	1.076	20	30		FDEDRO
CO[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1NC(=O)CCCC[NH+](C)C	ZINC001090903382	947870540	/nfs/dbraw/zinc/87/05/40/947870540.db2.gz	UYAQFUKSGKBSSO-HZPDHXFCSA-N	1	0	363.437	1.144	20	30		FDEDRO
CO[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1	ZINC001090922473	947962677	/nfs/dbraw/zinc/96/26/77/947962677.db2.gz	JORVHUMYSSLHHJ-HZPDHXFCSA-N	1	0	357.458	1.066	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC(CO)([NH2+]CC2CC2)CC1	ZINC000844335557	947973728	/nfs/dbraw/zinc/97/37/28/947973728.db2.gz	RFYJRZKCOUJAOB-SFHVURJKSA-N	1	0	357.454	1.599	20	30		FDEDRO
C[N@H+](C[C@@H](O)c1cccc(C#N)c1)C[C@@](C)(O)CNC(=O)OC(C)(C)C	ZINC000844371390	948000683	/nfs/dbraw/zinc/00/06/83/948000683.db2.gz	OGFPEGJUPOJNOF-APWZRJJASA-N	1	0	363.458	1.799	20	30		FDEDRO
C[N@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)C[C@@H](O)c1cccc(C#N)c1	ZINC000844367615	948017899	/nfs/dbraw/zinc/01/78/99/948017899.db2.gz	UFXVSEUKKZKIBD-GOSISDBHSA-N	1	0	366.421	1.651	20	30		FDEDRO
CO[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1	ZINC001090933181	948027062	/nfs/dbraw/zinc/02/70/62/948027062.db2.gz	JZGFHZDCYMMTMN-NVXWUHKLSA-N	1	0	360.433	1.359	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1	ZINC000844608169	948211109	/nfs/dbraw/zinc/21/11/09/948211109.db2.gz	DKNKMCPLLXQAPZ-AWEZNQCLSA-N	1	0	359.430	1.215	20	30		FDEDRO
N#C[C@@H]1CN(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2=O)CCO1	ZINC000844691406	948285675	/nfs/dbraw/zinc/28/56/75/948285675.db2.gz	LSRCYAPMMOWZHK-OTWHNJEPSA-N	1	0	354.454	1.149	20	30		FDEDRO
N#Cc1ccc(C[NH+]2CCC3(CC2)CN(c2ncc(F)cn2)CCO3)nc1	ZINC001144157444	948299332	/nfs/dbraw/zinc/29/93/32/948299332.db2.gz	IJZHCTHKULJQGR-UHFFFAOYSA-N	1	0	368.416	1.754	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)nc1	ZINC001144157585	948300758	/nfs/dbraw/zinc/30/07/58/948300758.db2.gz	PABSKXDBTUQRFI-GOSISDBHSA-N	1	0	370.453	1.041	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3COC[C@]3(CNC(=O)N3CCCC3)C2)nc1	ZINC001144158462	948301876	/nfs/dbraw/zinc/30/18/76/948301876.db2.gz	GPZSBFMTTXNVLG-APWZRJJASA-N	1	0	355.442	1.207	20	30		FDEDRO
COCCN1CC2(CC[NH+](Cc3ccc(C#N)cn3)CC2)[C@H](COC)C1=O	ZINC001144158949	948302743	/nfs/dbraw/zinc/30/27/43/948302743.db2.gz	VRGRONCLFHTQKS-GOSISDBHSA-N	1	0	372.469	1.287	20	30		FDEDRO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3Cc2ccc(C#N)cn2)CC1	ZINC001144159103	948303222	/nfs/dbraw/zinc/30/32/22/948303222.db2.gz	YMJLITBBPSFAJJ-WOJBJXKFSA-N	1	0	367.497	1.860	20	30		FDEDRO
C[C@@H](CNC(=O)N(C)C[C@H](O)c1cccc(C#N)c1)C[NH+]1CCN(C)CC1	ZINC000845010736	948588469	/nfs/dbraw/zinc/58/84/69/948588469.db2.gz	MURUGJJDXCDBSC-LPHOPBHVSA-N	1	0	373.501	1.117	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]21	ZINC001091048298	948645272	/nfs/dbraw/zinc/64/52/72/948645272.db2.gz	SSUZOWMEIMXDJP-ZWKOTPCHSA-N	1	0	357.458	1.101	20	30		FDEDRO
CC[C@H](C)C(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1	ZINC001110112400	948924366	/nfs/dbraw/zinc/92/43/66/948924366.db2.gz	ADBWJLYSLYOREI-VLQPXKRTSA-N	1	0	368.481	1.942	20	30		FDEDRO
C[N@H+](CC(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1O)CC(C)(C)C	ZINC001196200643	971536243	/nfs/dbraw/zinc/53/62/43/971536243.db2.gz	YSDWCMAQMNYUGG-QZTJIDSGSA-N	1	0	358.486	1.197	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O)[NH+]1CCCCC1	ZINC001091116807	949347895	/nfs/dbraw/zinc/34/78/95/949347895.db2.gz	ARQVOZAMLXAVDQ-QYZOEREBSA-N	1	0	371.485	1.129	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)OCc2ccncc2)C1	ZINC001196300356	971615247	/nfs/dbraw/zinc/61/52/47/971615247.db2.gz	SBWNFULZGIVIPN-QXAKKESOSA-N	1	0	361.486	1.894	20	30		FDEDRO
CC(C)[C@H](CO)ONC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000845747131	949884929	/nfs/dbraw/zinc/88/49/29/949884929.db2.gz	OKPLMDYZZJKMIE-SFHVURJKSA-N	1	0	360.458	1.770	20	30		FDEDRO
C[N@H+](CCC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O)C1CCCCC1	ZINC001091163686	949936270	/nfs/dbraw/zinc/93/62/70/949936270.db2.gz	GVOIZDHDAVMNQY-MSOLQXFVSA-N	1	0	371.485	1.274	20	30		FDEDRO
C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC000845817462	949979728	/nfs/dbraw/zinc/97/97/28/949979728.db2.gz	HOFSKYQHAFPQLA-GUTXKFCHSA-N	1	0	365.455	1.108	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001570962518	950033115	/nfs/dbraw/zinc/03/31/15/950033115.db2.gz	DRDUIAZQNFTSJH-ZFWWWQNUSA-N	1	0	353.430	1.497	20	30		FDEDRO
C[C@@H](C#N)CN(C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)C1CC1	ZINC000845875078	950046928	/nfs/dbraw/zinc/04/69/28/950046928.db2.gz	LDNPINQIVYZPHC-ZFWWWQNUSA-N	1	0	352.479	1.982	20	30		FDEDRO
CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@@H](C)C#N	ZINC001574151862	950095536	/nfs/dbraw/zinc/09/55/36/950095536.db2.gz	ZTKFVOQJRCPUMA-BBRMVZONSA-N	1	0	355.446	1.647	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nccnc3C)C[C@H]21	ZINC000961989880	1013105950	/nfs/dbraw/zinc/10/59/50/1013105950.db2.gz	CTKJDMRLRPMCDI-APWQULEDSA-N	1	0	356.470	1.703	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C	ZINC000846241133	950775067	/nfs/dbraw/zinc/77/50/67/950775067.db2.gz	FISHTADYOUNTOF-ILXRZTDVSA-N	1	0	355.479	1.681	20	30		FDEDRO
C[C@@H]1CN(c2cc(F)cc(NC(=O)N[C@@H]3C[NH2+]C[C@@H]3C#N)c2)C[C@H](C)O1	ZINC000846311872	950907062	/nfs/dbraw/zinc/90/70/62/950907062.db2.gz	CPOOADDFWDAFCS-PFHKOEEOSA-N	1	0	361.421	1.672	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@@H]1CN(Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1O	ZINC001196475463	971702357	/nfs/dbraw/zinc/70/23/57/971702357.db2.gz	WZBKCASMYIUSPJ-HUUCEWRRSA-N	1	0	360.458	1.323	20	30		FDEDRO
C[C@H](CNC(=O)c1ccc(C#N)[nH]1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1	ZINC001575020144	951051507	/nfs/dbraw/zinc/05/15/07/951051507.db2.gz	ZDLBNMRSDFOIGR-GFCCVEGCSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N2CC[C@H]3CCN(c4ccnc(C#N)n4)[C@H]3C2)CC1	ZINC001091226791	951103163	/nfs/dbraw/zinc/10/31/63/951103163.db2.gz	WCFREYKJNATEGA-GJZGRUSLSA-N	1	0	354.458	1.117	20	30		FDEDRO
C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@H](NC(=O)N2CCOCC2)C1	ZINC001171231902	951274248	/nfs/dbraw/zinc/27/42/48/951274248.db2.gz	NMXGMFRLFAZUIY-LPHOPBHVSA-N	1	0	356.470	1.995	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1	ZINC001571018177	951343544	/nfs/dbraw/zinc/34/35/44/951343544.db2.gz	CEAUVOGQBRNIPV-XYPHTWIQSA-N	1	0	365.441	1.592	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@]34C[C@H]3COC4)c2)C1	ZINC001091399770	951570139	/nfs/dbraw/zinc/57/01/39/951570139.db2.gz	CNIJQLDMSSXNMK-QSFXBCCZSA-N	1	0	355.438	1.211	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@H]3CC[C@@H](C)O3)c2)C1	ZINC001091405575	951601097	/nfs/dbraw/zinc/60/10/97/951601097.db2.gz	DHBUNOGAZGLJTL-ATZDWAIDSA-N	1	0	357.454	1.742	20	30		FDEDRO
N#Cc1c(N)sc2c1CC[N@@H+](C[C@@H](O)c1ccc(-c3nn[nH]n3)cc1)C2	ZINC001571037067	951615712	/nfs/dbraw/zinc/61/57/12/951615712.db2.gz	HMELQWSQXFOAJU-CQSZACIVSA-N	1	0	367.438	1.474	20	30		FDEDRO
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC([N@@H+]2CCOC[C@H]2C)CC1	ZINC000846912232	951712589	/nfs/dbraw/zinc/71/25/89/951712589.db2.gz	LQYGYIQOWYZXAS-DNVCBOLYSA-N	1	0	357.454	1.957	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ccncc4)C[C@]3(C)C2)C1=O	ZINC001091435513	951726654	/nfs/dbraw/zinc/72/66/54/951726654.db2.gz	WEMOFTPFVDQXAW-HLIPFELVSA-N	1	0	354.454	1.262	20	30		FDEDRO
C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1	ZINC001196595191	971778393	/nfs/dbraw/zinc/77/83/93/971778393.db2.gz	ZTDMRRZNPKBBTJ-MOPGFXCFSA-N	1	0	365.518	1.367	20	30		FDEDRO
C#C[C@H]1CCC[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1	ZINC000847020710	951774871	/nfs/dbraw/zinc/77/48/71/951774871.db2.gz	DBDSWGWMYIPQTN-IRXDYDNUSA-N	1	0	356.495	1.802	20	30		FDEDRO
C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1	ZINC001575094334	951804400	/nfs/dbraw/zinc/80/44/00/951804400.db2.gz	MVBDHFJWGPUESU-GFCCVEGCSA-N	1	0	364.413	1.222	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cccn4C)C[C@]3(C)C2)C1=O	ZINC001091489602	951896103	/nfs/dbraw/zinc/89/61/03/951896103.db2.gz	ZNOFSQLPKWQHME-SYNHAJSKSA-N	1	0	356.470	1.206	20	30		FDEDRO
C[C@@H](C[NH2+]Cc1cccc(C#N)c1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001575113942	951949682	/nfs/dbraw/zinc/94/96/82/951949682.db2.gz	ISELLXOXQOLRBO-LBPRGKRZSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[C@H](CNC(=O)c1ccc(C#N)[nH]1)C[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001575114082	951952103	/nfs/dbraw/zinc/95/21/03/951952103.db2.gz	MBFYAUSTOSHLEQ-LBPRGKRZSA-N	1	0	364.413	1.222	20	30		FDEDRO
C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC1(CO)CC[NH+](C)CC1	ZINC001146229423	952005192	/nfs/dbraw/zinc/00/51/92/952005192.db2.gz	SKEQARYRGOADDO-FZKQIMNGSA-N	1	0	353.463	1.029	20	30		FDEDRO
Cn1cc(CC[N@@H+]2C[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@]3(C)C2)cn1	ZINC001091604513	952224896	/nfs/dbraw/zinc/22/48/96/952224896.db2.gz	IVPJTYGXLCCAEA-BEFAXECRSA-N	1	0	352.442	1.256	20	30		FDEDRO
C[C@]12CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]1C[N@H+](CC(=O)N1CCCCC1)C2	ZINC001091605740	952236207	/nfs/dbraw/zinc/23/62/07/952236207.db2.gz	AGPZOONEYZYLMX-QRWLVFNGSA-N	1	0	369.469	1.293	20	30		FDEDRO
C[C@]12CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]1C[N@H+](CCCN1CCCC1=O)C2	ZINC001091606853	952253767	/nfs/dbraw/zinc/25/37/67/952253767.db2.gz	OUDDJLXXFKANJM-UZLBHIALSA-N	1	0	369.469	1.293	20	30		FDEDRO
COc1ccnc(C[N@@H+]2C[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@]3(C)C2)c1	ZINC001091607827	952259842	/nfs/dbraw/zinc/25/98/42/952259842.db2.gz	RWZBXUCIRMWGND-QRWLVFNGSA-N	1	0	365.437	1.884	20	30		FDEDRO
CN1CCOC[C@@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@]2(C)C1	ZINC001091611737	952292128	/nfs/dbraw/zinc/29/21/28/952292128.db2.gz	FYRHGIORYWHEFO-SBHAEUEKSA-N	1	0	368.481	1.169	20	30		FDEDRO
Cc1cc(N[C@@H]2CC[C@H](CNC(=O)C[N@@H+](C)C3CCC3)C2)c(C#N)cn1	ZINC001091644046	952465610	/nfs/dbraw/zinc/46/56/10/952465610.db2.gz	BNNDFZGYWBGYEV-DOTOQJQBSA-N	1	0	355.486	1.865	20	30		FDEDRO
C[C@]12CN(C(=O)c3ncc[nH]3)C[C@H]1C[N@H+](CC#Cc1ccc(F)cc1)C2	ZINC001091654048	952509043	/nfs/dbraw/zinc/50/90/43/952509043.db2.gz	DGKIFNVYOMOPAB-UZLBHIALSA-N	1	0	352.413	1.994	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1CNc1ccc(C#N)cn1	ZINC001091667787	952563183	/nfs/dbraw/zinc/56/31/83/952563183.db2.gz	XXLFMUMCOYQLEK-IAGOWNOFSA-N	1	0	359.474	1.569	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CNc1ccc(C#N)nc1	ZINC001091672580	952588714	/nfs/dbraw/zinc/58/87/14/952588714.db2.gz	NBZWLPZXKMLSHI-CRAIPNDOSA-N	1	0	371.485	1.570	20	30		FDEDRO
C[C@]12CN(C(=O)[C@]34C[C@H]3COC4)C[C@H]1C[N@H+](Cc1ccc(C#N)s1)C2	ZINC001091686157	952639631	/nfs/dbraw/zinc/63/96/31/952639631.db2.gz	UCKMJRXEJXJZEV-FTUNRGFVSA-N	1	0	357.479	1.937	20	30		FDEDRO
CN(C1CN(S(=O)(=O)c2cc(Cl)ccc2C#N)C1)[C@@H]1CCOC1	ZINC001196672174	971857687	/nfs/dbraw/zinc/85/76/87/971857687.db2.gz	KCRUFCULDYTHKI-CYBMUJFWSA-N	1	0	355.847	1.305	20	30		FDEDRO
COCC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCO[C@H]3c3ccccc3)C2)C1	ZINC001148418912	952725547	/nfs/dbraw/zinc/72/55/47/952725547.db2.gz	YAAKLZNQNZGKHZ-UXHICEINSA-N	1	0	368.477	1.948	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)c3[nH]c(C)c(C(N)=O)c3CC)C[C@]2(C)C1	ZINC001091735284	952754998	/nfs/dbraw/zinc/75/49/98/952754998.db2.gz	POZCPWUQZPUDHR-VLIAUNLRSA-N	1	0	358.486	1.954	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc4c(c3)OCC(=O)N4)C[C@]2(C)C1	ZINC001091739656	952769328	/nfs/dbraw/zinc/76/93/28/952769328.db2.gz	YJAJNQRVAXGUIN-QRWLVFNGSA-N	1	0	355.438	1.988	20	30		FDEDRO
C[C@]12CN(C(=O)c3cn[nH]c(=O)c3)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001091762467	952844421	/nfs/dbraw/zinc/84/44/21/952844421.db2.gz	KYGGEZCLBQXISW-NQIIRXRSSA-N	1	0	362.433	1.628	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnn(CC)n3)C2)cn1	ZINC001086857641	952876319	/nfs/dbraw/zinc/87/63/19/952876319.db2.gz	NTNJMXULDNHIOF-WMLDXEAASA-N	1	0	352.442	1.363	20	30		FDEDRO
CC(=O)N1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)C1	ZINC001086864177	952890920	/nfs/dbraw/zinc/89/09/20/952890920.db2.gz	GNXGDOXQSXPNBC-SLFFLAALSA-N	1	0	368.481	1.801	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1	ZINC001086856138	952901914	/nfs/dbraw/zinc/90/19/14/952901914.db2.gz	KPQKRAUREXGMFW-UAGQMJEPSA-N	1	0	370.453	1.220	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3c(C)nnn3CC)C2)nc1	ZINC001086856233	952902439	/nfs/dbraw/zinc/90/24/39/952902439.db2.gz	OWWUWHHRCITSJB-DLBZAZTESA-N	1	0	366.469	1.671	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc(CC)n3C)C2)cn1	ZINC001086856910	952903934	/nfs/dbraw/zinc/90/39/34/952903934.db2.gz	AMSHBRFILXUMFY-WMLDXEAASA-N	1	0	366.469	1.442	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(-n3cnnn3)cc2)C1	ZINC001086870022	952917600	/nfs/dbraw/zinc/91/76/00/952917600.db2.gz	JVGNLCBCGBLLCV-DZGCQCFKSA-N	1	0	360.849	1.903	20	30		FDEDRO
CC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001086884692	952937477	/nfs/dbraw/zinc/93/74/77/952937477.db2.gz	PUDTXEMCZPSVSE-XUVXKRRUSA-N	1	0	368.481	1.944	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCCN3C(N)=O)C2)c1	ZINC001086888648	952943071	/nfs/dbraw/zinc/94/30/71/952943071.db2.gz	IWHATZUQOSHLPK-KSZLIROESA-N	1	0	369.469	1.476	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)C(F)F)C[C@H]2[NH2+]Cc2ccccc2C#N)cn1	ZINC001086961545	952958524	/nfs/dbraw/zinc/95/85/24/952958524.db2.gz	JQKOUZVJDNSHFZ-JKSUJKDBSA-N	1	0	359.380	1.641	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2nccc3cccnc32)C[C@H]1c1cnn(C)c1	ZINC001086983001	952996609	/nfs/dbraw/zinc/99/66/09/952996609.db2.gz	PUKXBMCZMUWWOP-DLBZAZTESA-N	1	0	362.437	1.747	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)ncn3C)C[C@H]1c1cnn(C)c1	ZINC001086985123	953001261	/nfs/dbraw/zinc/00/12/61/953001261.db2.gz	VBTNCPZCHKFPNF-FUHWJXTLSA-N	1	0	362.437	1.138	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ncnc3[nH]ccc32)C[C@H]1c1cnn(C)c1	ZINC001086985819	953003801	/nfs/dbraw/zinc/00/38/01/953003801.db2.gz	FZIZENBAUFLVSM-LSDHHAIUSA-N	1	0	351.414	1.027	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc3cccnc32)C[C@H]1c1cnn(C)c1	ZINC001086986176	953005174	/nfs/dbraw/zinc/00/51/74/953005174.db2.gz	AGOQPSDMFMGRKR-RBUKOAKNSA-N	1	0	359.433	1.799	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2noc3ccccc23)C[C@H]1c1cnn(C)c1	ZINC001086986397	953006133	/nfs/dbraw/zinc/00/61/33/953006133.db2.gz	NJIKJWLTSAIKPA-FUHWJXTLSA-N	1	0	363.421	1.321	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C[C@H]1c1cnn(C)c1	ZINC001086989334	953014184	/nfs/dbraw/zinc/01/41/84/953014184.db2.gz	WKISKYJSGCEENR-HCXYKTFWSA-N	1	0	358.486	1.695	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2occ3c2CCOC3)C[C@H]1c1cnn(C)c1	ZINC001086989448	953014196	/nfs/dbraw/zinc/01/41/96/953014196.db2.gz	BBGVMWCRYYKSBL-ZWKOTPCHSA-N	1	0	370.453	1.860	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH]ncc32)C[C@H]1c1cnn(C)c1	ZINC001086990338	953017412	/nfs/dbraw/zinc/01/74/12/953017412.db2.gz	XQQWQWDVIBZVEA-FUHWJXTLSA-N	1	0	350.426	1.680	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2ccc(C)n2)C[C@H]1c1cnn(C)c1	ZINC001086990916	953019186	/nfs/dbraw/zinc/01/91/86/953019186.db2.gz	ABDWCOLAQYJAAS-RYQLBKOJSA-N	1	0	354.458	1.094	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(F)cccc2OC)C[C@H]1c1cnn(C)c1	ZINC001086980719	953030783	/nfs/dbraw/zinc/03/07/83/953030783.db2.gz	QZIHGRODESWIJG-GOEBONIOSA-N	1	0	356.401	1.399	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(C(F)F)n[nH]2)C[C@H]1c1cnn(C)c1	ZINC001086996093	953036309	/nfs/dbraw/zinc/03/63/09/953036309.db2.gz	MZZHODQFLCJLRV-SWLSCSKDSA-N	1	0	364.400	1.855	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ncn(C(C)(C)C)n2)C[C@H]1c1cnn(C)c1	ZINC001086996621	953037425	/nfs/dbraw/zinc/03/74/25/953037425.db2.gz	NPFYEHHKAGZDSM-JKSUJKDBSA-N	1	0	371.489	1.541	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)c(OCC)c2)C[C@H]1c1cnn(C)c1	ZINC001087000757	953052279	/nfs/dbraw/zinc/05/22/79/953052279.db2.gz	MRJWAEWYMWNMBM-RBUKOAKNSA-N	1	0	366.465	1.958	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2csc(C(C)C)n2)C[C@H]1c1cnn(C)c1	ZINC001087002321	953057692	/nfs/dbraw/zinc/05/76/92/953057692.db2.gz	SSHUBOPQUZQEEL-LSDHHAIUSA-N	1	0	357.483	1.831	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cnn(C(F)F)c2)C[C@H]1c1cnn(C)c1	ZINC001087003590	953059952	/nfs/dbraw/zinc/05/99/52/953059952.db2.gz	DZQBBXKTMSSDIU-LSDHHAIUSA-N	1	0	364.400	1.786	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cnnn2C)C1	ZINC001086995239	953067118	/nfs/dbraw/zinc/06/71/18/953067118.db2.gz	SRFRVUVSYVTRNN-SCTDSRPQSA-N	1	0	371.489	1.235	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3c(cccc3C)O2)C[C@H]1c1cnn(C)c1	ZINC001087006234	953089989	/nfs/dbraw/zinc/08/99/89/953089989.db2.gz	PUWLCVPUAANQLQ-NSHGMRRFSA-N	1	0	366.465	1.802	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)nn2)C[C@H]1c1cnn(C)c1	ZINC001087006282	953090013	/nfs/dbraw/zinc/09/00/13/953090013.db2.gz	SPXSBWWRXLAXTK-DOTOQJQBSA-N	1	0	369.473	1.050	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)COc2ccccc2)C[C@H]1c1cnn(C)c1	ZINC001087007189	953092403	/nfs/dbraw/zinc/09/24/03/953092403.db2.gz	RQFZMXNRUDAYOH-RBUKOAKNSA-N	1	0	354.454	1.959	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2ccc3c[nH]nc3c2)C[C@H]1c1cnn(C)c1	ZINC001087007718	953094053	/nfs/dbraw/zinc/09/40/53/953094053.db2.gz	RYZVFURFZNROBW-PKOBYXMFSA-N	1	0	364.453	1.609	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c(C)n[nH]c2C)C[C@H]1c1cnn(C)c1	ZINC001087009857	953099709	/nfs/dbraw/zinc/09/97/09/953099709.db2.gz	BQQWCCWJZWOGNA-ZNZDAUKMSA-N	1	0	368.485	1.156	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3cccc(F)c3O2)C[C@H]1c1cnn(C)c1	ZINC001087010196	953100860	/nfs/dbraw/zinc/10/08/60/953100860.db2.gz	QASBAVURBQTMHK-JQHSSLGASA-N	1	0	370.428	1.633	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2COc3ccccc32)C[C@H]1c1cnn(C)c1	ZINC001087012289	953106239	/nfs/dbraw/zinc/10/62/39/953106239.db2.gz	OXQDXWZBZRQWQV-OKZBNKHCSA-N	1	0	352.438	1.666	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001087029816	953121993	/nfs/dbraw/zinc/12/19/93/953121993.db2.gz	KEICCWDIAVZHND-SJLPKXTDSA-N	1	0	371.416	1.687	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1ccc2c(c1)COC2	ZINC001087035512	953145129	/nfs/dbraw/zinc/14/51/29/953145129.db2.gz	CNTUHBNECCPGDG-GDIGMMSISA-N	1	0	357.454	1.830	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1OC	ZINC001087035942	953146219	/nfs/dbraw/zinc/14/62/19/953146219.db2.gz	RWNGTWSADJNWHU-POZUXBRTSA-N	1	0	370.453	1.680	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1c(C)nsc1C	ZINC001087036086	953146789	/nfs/dbraw/zinc/14/67/89/953146789.db2.gz	YILWXFRXFFYIFD-DJSGYFEHSA-N	1	0	350.488	1.873	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087037816	953151520	/nfs/dbraw/zinc/15/15/20/953151520.db2.gz	CDCMSPVSRQLAAC-IEBWSBKVSA-N	1	0	367.453	1.477	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1cnccc1C	ZINC001087045537	953170812	/nfs/dbraw/zinc/17/08/12/953170812.db2.gz	LSRGZKUYMHUAEZ-IEBWSBKVSA-N	1	0	367.453	1.857	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1cnccc1C	ZINC001087045617	953171031	/nfs/dbraw/zinc/17/10/31/953171031.db2.gz	NTKCZKWKNNEUKB-VQIMIIECSA-N	1	0	367.453	1.857	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087052029	953182517	/nfs/dbraw/zinc/18/25/17/953182517.db2.gz	ASTKZIYDLOKDKJ-IAGOWNOFSA-N	1	0	353.426	1.548	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1cccc(C(N)=O)c1	ZINC001087053278	953185300	/nfs/dbraw/zinc/18/53/00/953185300.db2.gz	GTMZUYXVWGOZBJ-RTBURBONSA-N	1	0	369.465	1.152	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087053451	953185793	/nfs/dbraw/zinc/18/57/93/953185793.db2.gz	PQIXILBPYXIIFI-RTBURBONSA-N	1	0	371.481	1.816	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]Cc2ncccn2)[C@H](OCC)C1	ZINC001087059631	953201931	/nfs/dbraw/zinc/20/19/31/953201931.db2.gz	NFHSGNAZMNQLJA-SJLPKXTDSA-N	1	0	369.469	1.731	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2csnn2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087069817	953220326	/nfs/dbraw/zinc/22/03/26/953220326.db2.gz	PPISZEXWSJLKTE-NVXWUHKLSA-N	1	0	371.466	1.677	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ccn(C)n3)[C@H](OCC)C2)cc1	ZINC001087071336	953225585	/nfs/dbraw/zinc/22/55/85/953225585.db2.gz	KPQKLLQXAFMSLG-UYAOXDASSA-N	1	0	366.465	1.668	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3coc(C)n3)[C@H](OCC)C2)c1	ZINC001087082359	953240930	/nfs/dbraw/zinc/24/09/30/953240930.db2.gz	IAFXLTPVYFKUDR-IEBWSBKVSA-N	1	0	368.437	1.626	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+][C@H](C)c3nncn3C)[C@H](OCC)C2)C1	ZINC001087082357	953241015	/nfs/dbraw/zinc/24/10/15/953241015.db2.gz	HZQCSUMFRNLJRG-BZUAXINKSA-N	1	0	361.490	1.686	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2C2CCOCC2)C1	ZINC001196791087	971916490	/nfs/dbraw/zinc/91/64/90/971916490.db2.gz	YGHRXTKCLYIYED-QGPMSJSTSA-N	1	0	362.474	1.364	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3nncn3C)[C@H](OCC)C2)CC1	ZINC001087079534	953264587	/nfs/dbraw/zinc/26/45/87/953264587.db2.gz	UHCRFEBHSUVOKV-IAGOWNOFSA-N	1	0	361.490	1.515	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@@]3(C)C2)cc1	ZINC001091793610	953317157	/nfs/dbraw/zinc/31/71/57/953317157.db2.gz	KDDFZVMCPIMHKZ-UTKZUKDTSA-N	1	0	371.481	1.734	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)C[C@]2(C)C1	ZINC001091797344	953324220	/nfs/dbraw/zinc/32/42/20/953324220.db2.gz	MMBDAEFSRXAZQN-CLCXKQKWSA-N	1	0	359.474	1.293	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)CCN1c1ccnc(C#N)n1	ZINC001091806311	953336280	/nfs/dbraw/zinc/33/62/80/953336280.db2.gz	JTOZEEQALDHFBU-SOUVJXGZSA-N	1	0	362.453	1.502	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)CCN1c1ncc(C#N)cc1F	ZINC001091807249	953338124	/nfs/dbraw/zinc/33/81/24/953338124.db2.gz	UXYZWYZRENUMPG-BBWFWOEESA-N	1	0	359.449	1.906	20	30		FDEDRO
C[C@]12CN(C(=O)c3cn[nH]n3)C[C@H]1C[N@H+](Cc1ccc(C#N)c(F)c1)C2	ZINC001091810041	953344004	/nfs/dbraw/zinc/34/40/04/953344004.db2.gz	GWAGVZYZFJMZGT-KDOFPFPSSA-N	1	0	354.389	1.410	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@@H]3CN(C(=O)CC[N@@H+](C)CC)C[C@@H]3C2)n1	ZINC001091860076	953584018	/nfs/dbraw/zinc/58/40/18/953584018.db2.gz	FMNNUXIDEBRDOF-CVEARBPZSA-N	1	0	370.501	1.537	20	30		FDEDRO
Cc1nc(N2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@@H]3C2)ccc1C#N	ZINC001091868636	953620617	/nfs/dbraw/zinc/62/06/17/953620617.db2.gz	YDPKCQKLBMKSKN-MSOLQXFVSA-N	1	0	355.486	1.888	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N2C[C@H]3CCN(c4ccncc4C#N)C[C@H]3C2)CC1	ZINC001091870343	953626132	/nfs/dbraw/zinc/62/61/32/953626132.db2.gz	NZIGEZNTKUXVGB-WBVHZDCISA-N	1	0	353.470	1.580	20	30		FDEDRO
C[C@]12CN(C(=O)[C@]3(F)CCOC3)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001091951255	953828099	/nfs/dbraw/zinc/82/80/99/953828099.db2.gz	QWYDPKCMIOIGLG-HOJAQTOUSA-N	1	0	357.429	1.967	20	30		FDEDRO
C=CC1(CC(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)C[C@H]2O)CCCCC1	ZINC001196860940	971965269	/nfs/dbraw/zinc/96/52/69/971965269.db2.gz	PAEMJDMLAFMGBZ-QZTJIDSGSA-N	1	0	360.502	1.651	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3C[N@H+](C[C@@H]4CCCOC4)C[C@@]3(C)C2)c1	ZINC001091996992	953914347	/nfs/dbraw/zinc/91/43/47/953914347.db2.gz	GHDUKJLUJGNNST-DSKINZAPSA-N	1	0	353.466	1.883	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C[C@]2(C)C1	ZINC001092007695	953947815	/nfs/dbraw/zinc/94/78/15/953947815.db2.gz	IRUODYJXQHHCEE-YZLZLFLDSA-N	1	0	363.502	1.369	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCCC2)CCN1c1ccnc(C#N)n1	ZINC001091972897	953959747	/nfs/dbraw/zinc/95/97/47/953959747.db2.gz	YKQWEVHZGBIBKM-CVEARBPZSA-N	1	0	356.474	1.698	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@H]1CCN(c2cncc(C#N)n2)[C@@H]1C)[NH+]1CCCC1	ZINC001091979947	953977731	/nfs/dbraw/zinc/97/77/31/953977731.db2.gz	YPQUMNJPGAOFEO-UWWQBHOKSA-N	1	0	356.474	1.552	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cc(N4CCCC4)ncn3)C[C@]2(C)C1	ZINC001092013622	954056182	/nfs/dbraw/zinc/05/61/82/954056182.db2.gz	VPBCHIBUECRTSG-UZLBHIALSA-N	1	0	353.470	1.494	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)C4(CF)CCC4)C[C@]3(C)C2)C1=O	ZINC001092028028	954120762	/nfs/dbraw/zinc/12/07/62/954120762.db2.gz	DUKARHYWFMGJHU-MDZRGWNJSA-N	1	0	363.477	1.693	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@H]3C[N@@H+](C[C@@H](CC)OC)C[C@@]3(C)C2)nn1	ZINC001092085284	954236129	/nfs/dbraw/zinc/23/61/29/954236129.db2.gz	GJHJBPSRIIPUAX-MDZRGWNJSA-N	1	0	361.490	1.673	20	30		FDEDRO
Cn1ncc(C(=O)N2C[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@@]3(C)C2)n1	ZINC001092096578	954281517	/nfs/dbraw/zinc/28/15/17/954281517.db2.gz	BPNZXXUYNMKWPL-APWZRJJASA-N	1	0	350.426	1.281	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@H]3NC(=O)c4ccccc43)C[C@]2(C)C1	ZINC001092117315	954355473	/nfs/dbraw/zinc/35/54/73/954355473.db2.gz	RXERTWKLYOVIPX-FPDPHYFHSA-N	1	0	351.450	1.665	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@H]2C[N@@H+]([C@@H](CC)C(N)=O)C[C@@]2(C)C1	ZINC001092232216	954576215	/nfs/dbraw/zinc/57/62/15/954576215.db2.gz	BJBGAXLUQHZFDY-LQWHRVPQSA-N	1	0	353.466	1.255	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)c3cccc(C(=O)NC)n3)C[C@]2(C)C1	ZINC001092240306	954596282	/nfs/dbraw/zinc/59/62/82/954596282.db2.gz	XNZOHVVRPUIDOT-QRWLVFNGSA-N	1	0	356.470	1.801	20	30		FDEDRO
CC[C@@H](C(=O)N1C[C@H]2CN(c3cncc(C#N)n3)C[C@@]2(C)C1)[NH+](CC)CC	ZINC001092307136	954774435	/nfs/dbraw/zinc/77/44/35/954774435.db2.gz	QKEFOOYYSJBKFJ-SYNHAJSKSA-N	1	0	370.501	1.753	20	30		FDEDRO
CC[C@H](C(=O)N1C[C@H]2CN(c3ccc(C#N)nn3)C[C@@]2(C)C1)[NH+](CC)CC	ZINC001092307506	954775953	/nfs/dbraw/zinc/77/59/53/954775953.db2.gz	ZEDNUXBLUGMKAT-MDYRTPRTSA-N	1	0	370.501	1.753	20	30		FDEDRO
C[C@]12CN(C(=O)CCC[NH+]3CCCC3)C[C@H]1CN(c1nccnc1C#N)C2	ZINC001092291874	954890515	/nfs/dbraw/zinc/89/05/15/954890515.db2.gz	NNLSLCMMNHLKER-OXJNMPFZSA-N	1	0	368.485	1.509	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H]3CN(C(=O)CCCC[NH+](C)C)C[C@]3(C)C2)n1	ZINC001092293573	954900272	/nfs/dbraw/zinc/90/02/72/954900272.db2.gz	NPCUXKGZOBHFIZ-OXJNMPFZSA-N	1	0	370.501	1.673	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CNC(=O)CCCC[NH+]1CCCC1	ZINC001092379108	954972692	/nfs/dbraw/zinc/97/26/92/954972692.db2.gz	RTHZWPHPXOWYRC-IAGOWNOFSA-N	1	0	370.501	1.803	20	30		FDEDRO
C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)N(C)C)c1nccn12	ZINC001092396652	955003407	/nfs/dbraw/zinc/00/34/07/955003407.db2.gz	AAWVALYIMZWEDK-XHSDSOJGSA-N	1	0	371.485	1.146	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](CNC(=O)C(C)(C)[NH+]3CCCC3)[C@H](C)C2)n1	ZINC001092427049	955071000	/nfs/dbraw/zinc/07/10/00/955071000.db2.gz	BPCJFJMUDXGKJL-GDBMZVCRSA-N	1	0	370.501	1.720	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3CCCO3)[C@H](C)C2)cc1C#N	ZINC001092448917	955133047	/nfs/dbraw/zinc/13/30/47/955133047.db2.gz	IZSVMHSQQGJHRY-LSBZLQRGSA-N	1	0	357.454	1.930	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1C	ZINC001092411948	955140124	/nfs/dbraw/zinc/14/01/24/955140124.db2.gz	VZALBETZEHASIF-RKVPGOIHSA-N	1	0	361.465	1.822	20	30		FDEDRO
C[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C	ZINC001092416117	955148537	/nfs/dbraw/zinc/14/85/37/955148537.db2.gz	RRJYJLPBQQVEEW-SRCQZFHVSA-N	1	0	359.449	1.621	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C	ZINC001092460268	955183479	/nfs/dbraw/zinc/18/34/79/955183479.db2.gz	FYMAMAZEHYEDFJ-BFYDXBDKSA-N	1	0	356.474	1.411	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)[C@@H]1COCCO1	ZINC001092470150	955206123	/nfs/dbraw/zinc/20/61/23/955206123.db2.gz	YAEZXAIWTSZPHE-QBIMZIAESA-N	1	0	361.417	1.297	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)[C@H]1CCC(=O)N1	ZINC001092508014	955285518	/nfs/dbraw/zinc/28/55/18/955285518.db2.gz	PRZSAJRDDUKMBC-QGPMSJSTSA-N	1	0	357.429	1.140	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2NC(=O)c3ccccc32)C1	ZINC001197067267	972084237	/nfs/dbraw/zinc/08/42/37/972084237.db2.gz	QWTWPZCJGSAVNL-IPMKNSEASA-N	1	0	371.481	1.769	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)c3ncoc3CC)[C@H](C)C2)C1=O	ZINC001092517354	955302234	/nfs/dbraw/zinc/30/22/34/955302234.db2.gz	IPQLNLMEYORIFV-RBSFLKMASA-N	1	0	360.458	1.322	20	30		FDEDRO
Cc1nc(N2C[C@@H](C)[C@H](CCNC(=O)[C@H]3CC[N@H+](C)C3)C2)ccc1C#N	ZINC001092519857	955308347	/nfs/dbraw/zinc/30/83/47/955308347.db2.gz	LHOQXLQKMGVNSZ-OLMNPRSZSA-N	1	0	355.486	1.792	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C	ZINC001092523885	955322305	/nfs/dbraw/zinc/32/23/05/955322305.db2.gz	PVUCAUJPKTWDLX-JFIYKMOQSA-N	1	0	370.501	1.801	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCOC2)[C@H](C)C1	ZINC001092491699	955345033	/nfs/dbraw/zinc/34/50/33/955345033.db2.gz	FFCWZELPHRSKBE-UWWQBHOKSA-N	1	0	357.454	1.787	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)c1cn(C)cn1	ZINC001092545370	955376188	/nfs/dbraw/zinc/37/61/88/955376188.db2.gz	WBCPEXKUQGFSIG-NVXWUHKLSA-N	1	0	354.429	1.909	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3cc(C)c(C)o3)[C@H](C)C2)C1=O	ZINC001092546556	955380825	/nfs/dbraw/zinc/38/08/25/955380825.db2.gz	WQRNWWQMHGKOJJ-OIISXLGYSA-N	1	0	359.470	1.981	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(c3ccccc3)CC2(C)C)C1	ZINC001197130009	972092497	/nfs/dbraw/zinc/09/24/97/972092497.db2.gz	DXHLVCDPOJAPLJ-DBXWQHBBSA-N	1	0	358.482	1.718	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CCNC(=O)[C@@H](C1CC1)[NH+](C)C	ZINC001092550337	955398331	/nfs/dbraw/zinc/39/83/31/955398331.db2.gz	UUBQWDQMALBMSA-DDUZABMNSA-N	1	0	356.474	1.267	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC001092550972	955401198	/nfs/dbraw/zinc/40/11/98/955401198.db2.gz	AKDUIMSARRCJLG-ZIAGYGMSSA-N	1	0	357.458	1.243	20	30		FDEDRO
COc1ncc(C[N@H+]2C[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)c(C)n1	ZINC001092551936	955407071	/nfs/dbraw/zinc/40/70/71/955407071.db2.gz	DDPBXNJOSNGBLS-IUODEOHRSA-N	1	0	368.441	1.491	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CCNC(=O)CCCC[NH+](C)C	ZINC001092535464	955511828	/nfs/dbraw/zinc/51/18/28/955511828.db2.gz	BEXZNNDTIDVXMB-HZPDHXFCSA-N	1	0	358.490	1.659	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)C3CC(F)(F)C3)[C@H](C)C2)C1=O	ZINC001092536206	955515321	/nfs/dbraw/zinc/51/53/21/955515321.db2.gz	FFBVGQHLEKEXNW-BPLDGKMQSA-N	1	0	355.429	1.503	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CCNC(=O)[C@H]1CCCC[N@@H+]1C	ZINC001092599642	955613713	/nfs/dbraw/zinc/61/37/13/955613713.db2.gz	VFSSRRIIUHVNRB-BFYDXBDKSA-N	1	0	356.474	1.411	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CCNC(=O)C12CCC[NH+]1CCC2	ZINC001092604938	955642187	/nfs/dbraw/zinc/64/21/87/955642187.db2.gz	TXHRZVNWHAZXKC-HZPDHXFCSA-N	1	0	368.485	1.555	20	30		FDEDRO
COc1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2C)ncn1	ZINC001092611036	955669859	/nfs/dbraw/zinc/66/98/59/955669859.db2.gz	GEZWWTUMUYKIOO-CHWSQXEVSA-N	1	0	371.466	1.916	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3c(C)ccn3C)[C@H](C)C2)C1=O	ZINC001092570570	955674780	/nfs/dbraw/zinc/67/47/80/955674780.db2.gz	NDWURKHVOLJYCU-ZACQAIPSSA-N	1	0	358.486	1.418	20	30		FDEDRO
CC(C)[C@H](C(=O)NC[C@]12CCC[C@H]1N(c1ccnc(C#N)n1)CC2)[NH+](C)C	ZINC001092701076	956093000	/nfs/dbraw/zinc/09/30/00/956093000.db2.gz	SADKMWKHRFNOQQ-XFQXTVEOSA-N	1	0	370.501	1.800	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)NC[C@]23CCC[C@H]2N(c2ccc(C#N)nn2)CC3)C1	ZINC001092702226	956097739	/nfs/dbraw/zinc/09/77/39/956097739.db2.gz	YOGZWCNGMZRHCA-XAUMDUMWSA-N	1	0	368.485	1.555	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3onc(C)c3C)[C@H](C)C2)C1=O	ZINC001092709264	956137618	/nfs/dbraw/zinc/13/76/18/956137618.db2.gz	SUKVSKKOFWRKNQ-WQVCFCJDSA-N	1	0	360.458	1.376	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)[C@H](C)C1	ZINC001092725594	956176776	/nfs/dbraw/zinc/17/67/76/956176776.db2.gz	RKTFUPFAWQXIQO-JHEVNIALSA-N	1	0	370.799	1.769	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@H]1C	ZINC001092690433	956200405	/nfs/dbraw/zinc/20/04/05/956200405.db2.gz	LPFAYBNRMGNARM-SBHAEUEKSA-N	1	0	369.509	1.847	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@H]1OCCO[C@H]1C	ZINC001092691529	956204919	/nfs/dbraw/zinc/20/49/19/956204919.db2.gz	QEGWATIIOGAVRE-OHQAAIJDSA-N	1	0	357.454	1.546	20	30		FDEDRO
C=CCOc1ccccc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1C	ZINC001092739692	956234096	/nfs/dbraw/zinc/23/40/96/956234096.db2.gz	AFBMWOZTCYNZMJ-HZPDHXFCSA-N	1	0	359.470	1.637	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@@H]1CCN(C)C(=O)C1	ZINC001092740750	956236563	/nfs/dbraw/zinc/23/65/63/956236563.db2.gz	RBTFFEFECPVMGM-ATZDWAIDSA-N	1	0	368.481	1.611	20	30		FDEDRO
CCN1CCOC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C	ZINC001092754912	956283056	/nfs/dbraw/zinc/28/30/56/956283056.db2.gz	SXPOIRLHXDDTQE-NRSPTQNISA-N	1	0	369.509	1.443	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3cc(C)c(C)cn3)[C@H](C)C2)C1=O	ZINC001092844698	956478730	/nfs/dbraw/zinc/47/87/30/956478730.db2.gz	LFKOUSGFBSLYIT-ZHALLVOQSA-N	1	0	370.497	1.783	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)c1cn(C)ccc1=O	ZINC001092813615	956508142	/nfs/dbraw/zinc/50/81/42/956508142.db2.gz	RFOJWLHLMYCUNZ-IEBWSBKVSA-N	1	0	363.461	1.735	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C(C)C)c2C)C1	ZINC001197310462	972192125	/nfs/dbraw/zinc/19/21/25/972192125.db2.gz	DBUURWAZHFJPOO-HZPDHXFCSA-N	1	0	351.495	1.913	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@H]3CCN(CC=C)C3=O)C[C@H]2C)cc1	ZINC001092876638	956624212	/nfs/dbraw/zinc/62/42/12/956624212.db2.gz	JURBEWMLZLBQBI-AHRSYUTCSA-N	1	0	365.477	1.753	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)c1c[nH]c(=O)n1C	ZINC001092885895	956669092	/nfs/dbraw/zinc/66/90/92/956669092.db2.gz	KCKRQSXQOBOTLX-IUODEOHRSA-N	1	0	371.416	1.634	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)[C@@H]1CCC(=O)N1C	ZINC001092887778	956678276	/nfs/dbraw/zinc/67/82/76/956678276.db2.gz	UAUDYPVHIBDGLD-SUMDDJOVSA-N	1	0	371.456	1.482	20	30		FDEDRO
Cc1nsc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C3)c1C#N	ZINC001092908253	956744687	/nfs/dbraw/zinc/74/46/87/956744687.db2.gz	KLJHXBAJSIAESC-SNPRPXQTSA-N	1	0	359.499	1.891	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1	ZINC001092888140	956796655	/nfs/dbraw/zinc/79/66/55/956796655.db2.gz	PEKWIVCKZNEMDZ-WCVJEAGWSA-N	1	0	360.437	1.254	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[N@H+]([C@H]3CCN(CC=C)C3=O)C[C@H]2C)c1	ZINC001092952197	956885213	/nfs/dbraw/zinc/88/52/13/956885213.db2.gz	JTHOVEYZADMJTC-LZQZEXGQSA-N	1	0	366.465	1.148	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)c1cc(C(N)=O)co1	ZINC001092958116	956904534	/nfs/dbraw/zinc/90/45/34/956904534.db2.gz	KBQZAWASTWZZKI-CXAGYDPISA-N	1	0	366.421	1.748	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3cc(C4CC4)n[nH]3)[C@H](C)C2)C1=O	ZINC001092995032	957084092	/nfs/dbraw/zinc/08/40/92/957084092.db2.gz	MUJYBYMDJLUOOS-SIIHOXLZSA-N	1	0	371.485	1.372	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)cn2)CC1	ZINC001093000755	957103304	/nfs/dbraw/zinc/10/33/04/957103304.db2.gz	MVOCACFZTMCVJZ-NXHRZFHOSA-N	1	0	369.469	1.290	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccncc1C#N	ZINC001093018960	957145074	/nfs/dbraw/zinc/14/50/74/957145074.db2.gz	QPYDOMQAPNIHKG-HPFXQQBRSA-N	1	0	359.449	1.859	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1C	ZINC001093049201	957218321	/nfs/dbraw/zinc/21/83/21/957218321.db2.gz	SVZWMBLSHDVQEH-YSHGAJCASA-N	1	0	360.502	1.628	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)c1cccnn1	ZINC001093074534	957335375	/nfs/dbraw/zinc/33/53/75/957335375.db2.gz	JSOMKJOVDVENSJ-CZUORRHYSA-N	1	0	353.401	1.985	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3c[nH]cc3C3CC3)[C@H](C)C2)C1=O	ZINC001093089725	957519755	/nfs/dbraw/zinc/51/97/55/957519755.db2.gz	BWRJOIYUDWWFKS-IDHHARJASA-N	1	0	370.497	1.977	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(CNc2ccnc(C#N)n2)C1	ZINC001093126874	957596600	/nfs/dbraw/zinc/59/66/00/957596600.db2.gz	CQVUSGHZCIAVKC-YWZLYKJASA-N	1	0	370.501	1.541	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3cn(C)nc3C)C[C@H]2C)cn1	ZINC001093142908	957639879	/nfs/dbraw/zinc/63/98/79/957639879.db2.gz	IDPNNCQBJVZDOT-RHSMWYFYSA-N	1	0	351.454	1.603	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]2C)nc1	ZINC001093143310	957641676	/nfs/dbraw/zinc/64/16/76/957641676.db2.gz	ZCMNKLAOSSOGFU-OIISXLGYSA-N	1	0	364.453	1.140	20	30		FDEDRO
CC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C	ZINC001093144573	957645451	/nfs/dbraw/zinc/64/54/51/957645451.db2.gz	UHFRBLLMXMYFND-YSGRDPCXSA-N	1	0	368.481	1.753	20	30		FDEDRO
CC(=O)N1CC[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2C)C1	ZINC001093163296	957711943	/nfs/dbraw/zinc/71/19/43/957711943.db2.gz	HPAGVIKKGFBVOR-UIAACRFSSA-N	1	0	368.481	1.611	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](OC)C(F)(F)F)C1	ZINC001197543446	972294527	/nfs/dbraw/zinc/29/45/27/972294527.db2.gz	PGXIQRILXJRAHH-MCIONIFRSA-N	1	0	352.397	1.862	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(CC)nn(C)c2Cl)C1	ZINC001197559210	972302595	/nfs/dbraw/zinc/30/25/95/972302595.db2.gz	PEEGYDALMKTBRK-IACUBPJLSA-N	1	0	354.882	1.766	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)C3=COCCC3)C[C@H]2C)C1=O	ZINC001093273062	957941815	/nfs/dbraw/zinc/94/18/15/957941815.db2.gz	ZVDHQWYQFZVVMK-JFIYKMOQSA-N	1	0	361.486	1.542	20	30		FDEDRO
CC(C)N1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)C1=O	ZINC001093274686	957944896	/nfs/dbraw/zinc/94/48/96/957944896.db2.gz	RWWBSBBSBVRKHC-INMHGKMJSA-N	1	0	371.485	1.583	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CC[NH2+][C@H]1CCN(C2CCC2)C1=O	ZINC001093278662	957950073	/nfs/dbraw/zinc/95/00/73/957950073.db2.gz	UCVXCTLFAQUZPW-SUMDDJOVSA-N	1	0	357.498	1.627	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3ccnc(C)c3)C[C@H]2C)C1=O	ZINC001093286657	957972550	/nfs/dbraw/zinc/97/25/50/957972550.db2.gz	DFXVMPLUWUFQLY-LZQZEXGQSA-N	1	0	370.497	1.865	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)Cc3ccco3)C[C@H]2C)C1=O	ZINC001093288113	957976720	/nfs/dbraw/zinc/97/67/20/957976720.db2.gz	OTTWWQVTGXMUNL-NUJGCVRESA-N	1	0	359.470	1.683	20	30		FDEDRO
C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)CCO2	ZINC001093407230	958024681	/nfs/dbraw/zinc/02/46/81/958024681.db2.gz	RSSSJNYXULQGOM-JFBVMJNESA-N	1	0	363.502	1.594	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093432093	958056946	/nfs/dbraw/zinc/05/69/46/958056946.db2.gz	AFHTXQAPPZMBLN-CBZIJGRNSA-N	1	0	366.893	1.752	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnns3)[C@H]2C(C)C)C[C@H]1O	ZINC001093432657	958058674	/nfs/dbraw/zinc/05/86/74/958058674.db2.gz	DWSFQWLFESPCCH-UNIGVISCSA-N	1	0	370.906	1.870	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3CCOCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093433308	958060319	/nfs/dbraw/zinc/06/03/19/958060319.db2.gz	BZDUESMSEOQKRB-LFGUQSLTSA-N	1	0	350.503	1.955	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnns3)[C@H]2C(C)C)C[C@H]1O	ZINC001093435497	958064160	/nfs/dbraw/zinc/06/41/60/958064160.db2.gz	UGQXKGINGJYOMH-LNCBFAARSA-N	1	0	350.488	1.694	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncccc3O)[C@@H]2C(C)C)C[C@H]1O	ZINC001093441476	958077725	/nfs/dbraw/zinc/07/77/25/958077725.db2.gz	ACUMVCCABDBPAZ-ODZKNYGOSA-N	1	0	359.470	1.943	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncn(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093442777	958081079	/nfs/dbraw/zinc/08/10/79/958081079.db2.gz	LAAFVGREXSUOSV-WVZRYYJFSA-N	1	0	367.881	1.147	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(C)(C)O)[C@@H]2C(C)C)C[C@H]1O	ZINC001093446936	958097864	/nfs/dbraw/zinc/09/78/64/958097864.db2.gz	OAPGBBDGIVYOAR-GZOSKZMVSA-N	1	0	358.910	1.866	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc4[nH]cnc4c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093446917	958097942	/nfs/dbraw/zinc/09/79/42/958097942.db2.gz	NVDLIVWFIXYASZ-WWNBULGVSA-N	1	0	369.469	1.724	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(F)CCOCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093448261	958107862	/nfs/dbraw/zinc/10/78/62/958107862.db2.gz	GSZPMQNJLGWYCN-CBZIJGRNSA-N	1	0	352.450	1.104	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnc4ccnn43)[C@H]2C(C)C)C[C@H]1O	ZINC001093449323	958115115	/nfs/dbraw/zinc/11/51/15/958115115.db2.gz	OJQWNWABLHDDGY-GNUPYSACSA-N	1	0	369.469	1.495	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc4occc4[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093449789	958117860	/nfs/dbraw/zinc/11/78/60/958117860.db2.gz	QLABDQFHDPXMSB-HBXLWWENSA-N	1	0	355.438	1.974	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)[nH]nc3Cl)[C@@H]2C(C)C)C[C@H]1O	ZINC001093449538	958117958	/nfs/dbraw/zinc/11/79/58/958117958.db2.gz	PNPXAYOTIKABIZ-GGKPKWOWSA-N	1	0	364.877	1.584	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncc(OC)c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093449873	958119236	/nfs/dbraw/zinc/11/92/36/958119236.db2.gz	JMFXMVNOGATGQC-REHHDOPLSA-N	1	0	371.481	1.612	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(F)CCOCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093450120	958121140	/nfs/dbraw/zinc/12/11/40/958121140.db2.gz	TXXMQFYIRZAFDC-CBZIJGRNSA-N	1	0	354.466	1.657	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(OC)nc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093459844	958185034	/nfs/dbraw/zinc/18/50/34/958185034.db2.gz	WLQPYLFQIALUJS-CIWUYKSXSA-N	1	0	359.470	1.856	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn[nH]n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093460038	958186173	/nfs/dbraw/zinc/18/61/73/958186173.db2.gz	XPPPTZNTGUESMB-OEYIWLLWSA-N	1	0	353.854	1.137	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C#C)cc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093460101	958187931	/nfs/dbraw/zinc/18/79/31/958187931.db2.gz	PFYMPHMQDOMMSE-JBPLPALLSA-N	1	0	350.462	1.881	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3noc4c3CCCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093464617	958200327	/nfs/dbraw/zinc/20/03/27/958200327.db2.gz	CRKHHTQWWUOUOQ-HQEOYTPBSA-N	1	0	371.481	1.766	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(C(F)(F)F)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093464650	958200883	/nfs/dbraw/zinc/20/08/83/958200883.db2.gz	GACCNISVFUFWRQ-HGTKMLMNSA-N	1	0	358.404	1.928	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccnc(OC)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093466269	958209129	/nfs/dbraw/zinc/20/91/29/958209129.db2.gz	NGECEBNHASSLJS-JYWFKMLOSA-N	1	0	371.481	1.232	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc4nncn4c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093467626	958215670	/nfs/dbraw/zinc/21/56/70/958215670.db2.gz	UUAJRRBBLWBROR-ZTRFORPCSA-N	1	0	369.469	1.495	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc4ncccn4n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093472361	958238177	/nfs/dbraw/zinc/23/81/77/958238177.db2.gz	KNFZZEMWRWTHDZ-ZTRFORPCSA-N	1	0	369.469	1.495	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(Cl)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093474626	958248371	/nfs/dbraw/zinc/24/83/71/958248371.db2.gz	SYCJAAVUAILVML-VXNCWWDNSA-N	1	0	361.873	1.948	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccccc3C#C)[C@H]2C(C)C)C[C@H]1O	ZINC001093474666	958249892	/nfs/dbraw/zinc/24/98/92/958249892.db2.gz	UAPJWRXCARPQJT-SCPDWHHUSA-N	1	0	364.489	1.810	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncc4ccccn43)[C@H]2C(C)C)C[C@H]1O	ZINC001093452661	958259118	/nfs/dbraw/zinc/25/91/18/958259118.db2.gz	MBYIMUOEDYNGBH-WIRSXHRWSA-N	1	0	366.465	1.547	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cc(C)nn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093458260	958282078	/nfs/dbraw/zinc/28/20/78/958282078.db2.gz	MRGSSVAVSYNFEC-HNBVOPMISA-N	1	0	360.502	1.423	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3n[nH]c4ccccc43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093477706	958289036	/nfs/dbraw/zinc/28/90/36/958289036.db2.gz	KVILVSLBKAQUSN-VGUOSERISA-N	1	0	366.465	1.776	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc4n[nH]nc4c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093477789	958290513	/nfs/dbraw/zinc/29/05/13/958290513.db2.gz	MSZPUQIPDZUYSL-MLYOOKFZSA-N	1	0	367.453	1.171	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(N(C)C)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093481780	958307192	/nfs/dbraw/zinc/30/71/92/958307192.db2.gz	YACXRVAYXRVSSU-BNDYYXHWSA-N	1	0	370.497	1.361	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncnc3C(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001093481394	958307389	/nfs/dbraw/zinc/30/73/89/958307389.db2.gz	WJDNYPGYMTUXCF-REHHDOPLSA-N	1	0	370.497	1.813	20	30		FDEDRO
C#C[C@H](NC(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1)[C@H]1CCCO1	ZINC000773198531	958336255	/nfs/dbraw/zinc/33/62/55/958336255.db2.gz	GMXRVYQVDYGJOZ-ZWKOTPCHSA-N	1	0	371.485	1.204	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093680622	958483819	/nfs/dbraw/zinc/48/38/19/958483819.db2.gz	QJVJMDDZIGXERQ-CZUORRHYSA-N	1	0	350.426	1.428	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3ccncc3F)C[C@H]2C)C1=O	ZINC001093687559	958505149	/nfs/dbraw/zinc/50/51/49/958505149.db2.gz	LUVOTERGEWCNLW-CKEIUWERSA-N	1	0	360.433	1.305	20	30		FDEDRO
Cc1c(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(F)c(C#N)c3)[C@H](C)C2)nnn1C	ZINC001093688274	958508017	/nfs/dbraw/zinc/50/80/17/958508017.db2.gz	RIEBLTJAOXCQND-MLGOLLRUSA-N	1	0	370.432	1.632	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1nc(CC2CC2)no1	ZINC001093699300	958563776	/nfs/dbraw/zinc/56/37/76/958563776.db2.gz	MGERYWKYQSIXGC-IUODEOHRSA-N	1	0	368.441	1.720	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1cn(C(C)(C)C)nn1	ZINC001093699487	958565498	/nfs/dbraw/zinc/56/54/98/958565498.db2.gz	ALSHYJANKVWPCM-UKRRQHHQSA-N	1	0	369.473	1.731	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]C[C@H]1CCNC(=O)CC1	ZINC001093699911	958566798	/nfs/dbraw/zinc/56/67/98/958566798.db2.gz	OYFJWCWCYUABNU-IIAWOOMASA-N	1	0	357.458	1.100	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1cc2n(n1)CCC2	ZINC001093699930	958566809	/nfs/dbraw/zinc/56/68/09/958566809.db2.gz	QBEQTUKXTRXSMF-UKRRQHHQSA-N	1	0	352.442	1.527	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2nnc[nH]2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001093701706	958570515	/nfs/dbraw/zinc/57/05/15/958570515.db2.gz	WFVXPSHHRVNVFT-CZUORRHYSA-N	1	0	370.432	1.632	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093711596	958575139	/nfs/dbraw/zinc/57/51/39/958575139.db2.gz	KCEIQRRDPISPNP-ZTFGCOKTSA-N	1	0	354.454	1.269	20	30		FDEDRO
CCc1nnc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)[nH]1	ZINC001093722658	958599627	/nfs/dbraw/zinc/59/96/27/958599627.db2.gz	ZAZTWLSYVNZXDT-FRRDWIJNSA-N	1	0	355.446	1.626	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)c2cncnc2)C[C@H]1C	ZINC001093729714	958625780	/nfs/dbraw/zinc/62/57/80/958625780.db2.gz	KISYWKZYQTZKDK-RDTXWAMCSA-N	1	0	365.437	1.855	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)/C=C\c3ccc[nH]3)C[C@H]2C)C1=O	ZINC001093736640	958645675	/nfs/dbraw/zinc/64/56/75/958645675.db2.gz	ZYFYJYMKHQUACV-VUROMXLHSA-N	1	0	356.470	1.499	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cncnc2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001093740051	958658592	/nfs/dbraw/zinc/65/85/92/958658592.db2.gz	XJFKKIDPHUKJKY-RDTXWAMCSA-N	1	0	367.428	1.914	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001093754598	958681961	/nfs/dbraw/zinc/68/19/61/958681961.db2.gz	FJPRBALPKHBPRG-IUODEOHRSA-N	1	0	356.405	1.324	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)s3)[C@H](C)C2)o1	ZINC001093754858	958683274	/nfs/dbraw/zinc/68/32/74/958683274.db2.gz	MXPSSLPELAUPLJ-DGCLKSJQSA-N	1	0	359.455	1.738	20	30		FDEDRO
CCn1ncc(C(=O)N2C[C@@H](C[NH2+]Cc3cc(F)ccc3C#N)[C@H](C)C2)n1	ZINC001093756440	958689255	/nfs/dbraw/zinc/68/92/55/958689255.db2.gz	SPHNTWFOYVSLDC-CZUORRHYSA-N	1	0	370.432	1.807	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3ccncc3C)C[C@H]2C)C1=O	ZINC001093759791	958697963	/nfs/dbraw/zinc/69/79/63/958697963.db2.gz	XXIHDVFRAMQONS-NUJGCVRESA-N	1	0	356.470	1.475	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1cnn(-c2ccccc2)n1	ZINC001093762425	958701925	/nfs/dbraw/zinc/70/19/25/958701925.db2.gz	MVMNGZUWVFFKEZ-SJLPKXTDSA-N	1	0	363.465	1.865	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cccnc2C)[C@H](C)C1	ZINC001093833198	958928636	/nfs/dbraw/zinc/92/86/36/958928636.db2.gz	YAZZEBYDEMQOKD-AHRSYUTCSA-N	1	0	354.498	1.672	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)[C@H](C)C1	ZINC001093842569	958956140	/nfs/dbraw/zinc/95/61/40/958956140.db2.gz	BHYRRUNBLLUZSE-IAQYHMDHSA-N	1	0	371.416	1.932	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093870067	959054054	/nfs/dbraw/zinc/05/40/54/959054054.db2.gz	KEYOTDMTDAAKEE-DNVCBOLYSA-N	1	0	364.449	1.755	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@H]2C)cc1C#N	ZINC001093884533	959120374	/nfs/dbraw/zinc/12/03/74/959120374.db2.gz	MBTRTQDIFWUCAJ-IUODEOHRSA-N	1	0	354.414	1.183	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093887458	959132405	/nfs/dbraw/zinc/13/24/05/959132405.db2.gz	CMSGXPVCTQRGEA-DNVCBOLYSA-N	1	0	364.449	1.755	20	30		FDEDRO
Cc1cncn1CC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1	ZINC001093920927	959218842	/nfs/dbraw/zinc/21/88/42/959218842.db2.gz	BCIYYJYBQYJGKS-DNVCBOLYSA-N	1	0	351.454	1.948	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H]3CCN(CC)C3=O)[C@H](C)C2)cc1	ZINC001093957428	959350946	/nfs/dbraw/zinc/35/09/46/959350946.db2.gz	PTSPLYJFBDZLTN-LZQZEXGQSA-N	1	0	353.466	1.586	20	30		FDEDRO
Cc1n[nH]nc1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OCC#N)cc2)[C@H](C)C1	ZINC001093958599	959355459	/nfs/dbraw/zinc/35/54/59/959355459.db2.gz	FAVJVVPNSRENAM-CZUORRHYSA-N	1	0	368.441	1.513	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3ccn(C)c3C)C[C@H]2C)C1=O	ZINC001094023645	959544429	/nfs/dbraw/zinc/54/44/29/959544429.db2.gz	PQNYLUDMKVCVMD-QGPMSJSTSA-N	1	0	358.486	1.418	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+][C@H](C)c3nncn3C)[C@H](C)C2)c1	ZINC001094027727	959548648	/nfs/dbraw/zinc/54/86/48/959548648.db2.gz	CQGJTVNSLJORHK-CKEIUWERSA-N	1	0	352.442	1.250	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3ccn(CC)n3)[C@H](C)C2)c1	ZINC001094027883	959548697	/nfs/dbraw/zinc/54/86/97/959548697.db2.gz	IZTBBVFQDSSXNW-CRAIPNDOSA-N	1	0	351.454	1.777	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cccnc2OC)[C@H](C)C1	ZINC001094055047	959643544	/nfs/dbraw/zinc/64/35/44/959643544.db2.gz	FAJATGLHDUVDOR-DDBAPUKQSA-N	1	0	359.470	1.865	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H]3CCCNC3=O)[C@H](C)C2)cc1	ZINC001094093751	959765548	/nfs/dbraw/zinc/76/55/48/959765548.db2.gz	CVKUDVDSXLXHNH-SZVBFZGTSA-N	1	0	369.465	1.275	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+][C@H](C)c3cnccn3)[C@H](C)C2)nn1	ZINC001094095218	959770606	/nfs/dbraw/zinc/77/06/06/959770606.db2.gz	JYRDRSFBLHAMKV-RBSFLKMASA-N	1	0	355.446	1.313	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]C[C@H]3CCCOC3)[C@H](C)C2)nn1	ZINC001094100644	959784265	/nfs/dbraw/zinc/78/42/65/959784265.db2.gz	BZYWGOQERNPIRQ-BRWVUGGUSA-N	1	0	361.490	1.579	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001094125765	959832178	/nfs/dbraw/zinc/83/21/78/959832178.db2.gz	GKRKMFWSAQWATF-CZUORRHYSA-N	1	0	353.401	1.985	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001094107065	959892968	/nfs/dbraw/zinc/89/29/68/959892968.db2.gz	DYRNICZYSCSYAI-OLMNPRSZSA-N	1	0	354.454	1.411	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C[NH2+]C[C@H]2CCOC2)[C@H](C)C1	ZINC001094158888	959929539	/nfs/dbraw/zinc/92/95/39/959929539.db2.gz	NLMBAGPZZAFTSJ-BRWVUGGUSA-N	1	0	359.470	1.981	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001094165963	959951059	/nfs/dbraw/zinc/95/10/59/959951059.db2.gz	GCVLWHKPDCENOX-RHSMWYFYSA-N	1	0	369.444	1.858	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H]3CCN(CC=C)C3=O)[C@H](C)C2)cn1	ZINC001094174564	959978382	/nfs/dbraw/zinc/97/83/82/959978382.db2.gz	NWOGKOFOJRELIV-SUMDDJOVSA-N	1	0	366.465	1.148	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001094195969	960093628	/nfs/dbraw/zinc/09/36/28/960093628.db2.gz	OXZQZSKWQUDPLW-ATZDWAIDSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=C(C)CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3c3cncn3C)nn2)C1	ZINC001094319056	960248942	/nfs/dbraw/zinc/24/89/42/960248942.db2.gz	NAPFQRRVZARKRF-IAGOWNOFSA-N	1	0	369.473	1.254	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@]3(CNC(=O)c4ccn[nH]4)CCC[C@@H]23)C1=O	ZINC001094366481	960325185	/nfs/dbraw/zinc/32/51/85/960325185.db2.gz	CVNYYGNWFRJRIP-FRQCXROJSA-N	1	0	357.458	1.171	20	30		FDEDRO
Cn1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2cccc(C#N)c2)CC3)nn1	ZINC001094407357	960386856	/nfs/dbraw/zinc/38/68/56/960386856.db2.gz	LBBIMMRYEPCBLO-UYAOXDASSA-N	1	0	364.453	1.861	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCC1)CC2	ZINC001094433418	960445980	/nfs/dbraw/zinc/44/59/80/960445980.db2.gz	JHSJBPLINOKUDR-WIYYLYMNSA-N	1	0	370.497	1.881	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccn4nnnc4c3)CCC[C@@H]12	ZINC001094487342	960577068	/nfs/dbraw/zinc/57/70/68/960577068.db2.gz	UFGVRAOWIAODAW-RHSMWYFYSA-N	1	0	360.849	1.851	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnoc3-c3cnn(C)c3)CCC[C@@H]12	ZINC001094477373	960647750	/nfs/dbraw/zinc/64/77/50/960647750.db2.gz	DLQZARXKQFECDY-VQIMIIECSA-N	1	0	353.426	1.683	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cn(C)nc3[C@H]3CCOC3)CCC[C@@H]12	ZINC001094478310	960652344	/nfs/dbraw/zinc/65/23/44/960652344.db2.gz	HPFRBBCYLUSZHC-YRISNDGFSA-N	1	0	370.497	1.922	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)CCC[C@@H]12	ZINC001094512360	960699292	/nfs/dbraw/zinc/69/92/92/960699292.db2.gz	OKPXRUGZBYZTKL-AXVVYFOYSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCn2cccn2)CC3)nn1	ZINC001094531615	960741992	/nfs/dbraw/zinc/74/19/92/960741992.db2.gz	XUCICFXMSZICNG-IEBWSBKVSA-N	1	0	369.473	1.335	20	30		FDEDRO
Cn1ncc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2ccc(C#N)cc2)CC3)n1	ZINC001094534818	960752591	/nfs/dbraw/zinc/75/25/91/960752591.db2.gz	PJWYTBKUOKVFLT-UYAOXDASSA-N	1	0	364.453	1.861	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)CCC[C@@H]12	ZINC001094575566	960855178	/nfs/dbraw/zinc/85/51/78/960855178.db2.gz	VFHJEMISMVEACW-YRISNDGFSA-N	1	0	357.498	1.772	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc4c([nH]c3=O)CCOC4)CCC[C@@H]12	ZINC001094557019	960909330	/nfs/dbraw/zinc/90/93/30/960909330.db2.gz	AMYCJBXNJVXXAF-YLJYHZDGSA-N	1	0	355.438	1.468	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)C3CCC(C(=O)N(C)C)CC3)CCC[C@@H]12	ZINC001094558794	960912974	/nfs/dbraw/zinc/91/29/74/960912974.db2.gz	TVXAZFIOBJQBLH-YMPMHWPESA-N	1	0	359.514	1.875	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCC(=C)C)C2)C1	ZINC001094737504	961128310	/nfs/dbraw/zinc/12/83/10/961128310.db2.gz	VABVEBKQPHPBIY-JQHSSLGASA-N	1	0	361.486	1.335	20	30		FDEDRO
C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000773945342	961134687	/nfs/dbraw/zinc/13/46/87/961134687.db2.gz	SZNDIYZPAYRPAJ-MRXNPFEDSA-N	1	0	356.470	1.243	20	30		FDEDRO
C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCCNc2ncccc2C#N)CC1	ZINC001094836255	961231803	/nfs/dbraw/zinc/23/18/03/961231803.db2.gz	UDGFWKHXOFTCMX-MSOLQXFVSA-N	1	0	371.485	1.618	20	30		FDEDRO
CCN1CC[C@@H]([N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC1=O	ZINC001172038715	961433249	/nfs/dbraw/zinc/43/32/49/961433249.db2.gz	DGUVALVMFKNWHI-DYESRHJHSA-N	1	0	366.465	1.998	20	30		FDEDRO
CC(=O)N[C@@H](CCO)C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1	ZINC001182144998	961493691	/nfs/dbraw/zinc/49/36/91/961493691.db2.gz	AXDMDYHFVQLWAZ-FHWLQOOXSA-N	1	0	372.469	1.044	20	30		FDEDRO
CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H](C)Cc1ccc(C#N)cc1)C2	ZINC001172304727	961615800	/nfs/dbraw/zinc/61/58/00/961615800.db2.gz	PGQFZEKSZBEHNG-NBHGPNQESA-N	1	0	371.481	1.875	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@H](NC(=O)N2CCOCC2)C1	ZINC001172313203	961617379	/nfs/dbraw/zinc/61/73/79/961617379.db2.gz	RJJFGKRYZZAXEF-LPHOPBHVSA-N	1	0	356.470	1.995	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3cc(F)ccc3[nH]c2=O)c1C#N	ZINC001182253363	961659658	/nfs/dbraw/zinc/65/96/58/961659658.db2.gz	YQSCSSKEVDTTEU-UHFFFAOYSA-N	1	0	368.372	1.666	20	30		FDEDRO
NC(=O)c1ccc(C(=[NH2+])N[C@@H]2CCN(Cc3ccccc3)C(=O)C2)cc1	ZINC001172677217	961750388	/nfs/dbraw/zinc/75/03/88/961750388.db2.gz	WXKVSZBSWDUMLZ-QGZVFWFLSA-N	1	0	350.422	1.682	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCC(=O)N2CCOCC2)C[C@H]1C#N	ZINC001172966335	961852387	/nfs/dbraw/zinc/85/23/87/961852387.db2.gz	AUFFQYGSYWLRLZ-CABCVRRESA-N	1	0	366.462	1.117	20	30		FDEDRO
CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1	ZINC001172971264	961856152	/nfs/dbraw/zinc/85/61/52/961856152.db2.gz	NRQHLPXUGQYGRU-OAGGEKHMSA-N	1	0	350.463	1.879	20	30		FDEDRO
COCCn1cncc1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1	ZINC001172976792	961860529	/nfs/dbraw/zinc/86/05/29/961860529.db2.gz	VDMIKCDUBLPCSB-CABCVRRESA-N	1	0	363.462	1.911	20	30		FDEDRO
CC(=O)N1CC[C@@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1	ZINC001172977737	961861145	/nfs/dbraw/zinc/86/11/45/961861145.db2.gz	IVGGKRLHYZVKFT-XHSDSOJGSA-N	1	0	350.463	1.736	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2(C)CCS(=O)(=O)CC2)C[C@H]1C#N	ZINC001172979162	961861932	/nfs/dbraw/zinc/86/19/32/961861932.db2.gz	VQPTZHXSPDIRAE-KBPBESRZSA-N	1	0	371.503	1.835	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H](N[C@@]2(C[NH3+])CN3CCC2CC3)C[C@H]1C#N	ZINC001172982136	961865942	/nfs/dbraw/zinc/86/59/42/961865942.db2.gz	UMFKGFDTPQAIJQ-BXWFABGCSA-N	1	0	363.506	1.291	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)C1	ZINC001173362855	962054161	/nfs/dbraw/zinc/05/41/61/962054161.db2.gz	HEGZJFGVUWKSQA-PZJWPPBQSA-N	1	0	369.513	1.966	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+]CCN3CCC[C@H](O)C3)CC2)cc1	ZINC001173425448	962132380	/nfs/dbraw/zinc/13/23/80/962132380.db2.gz	VQONJJGODYIHSC-IBGZPJMESA-N	1	0	356.470	1.209	20	30		FDEDRO
COC(=O)C[C@H]1CN(C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CCO1	ZINC001173432713	962152707	/nfs/dbraw/zinc/15/27/07/962152707.db2.gz	HEIFOOKAXHPUKC-SFHVURJKSA-N	1	0	371.437	1.427	20	30		FDEDRO
C[C@H]1CN(O)C(=O)[C@H]1[NH2+]C1CCN(CC(=O)OCc2ccccc2)CC1	ZINC001173463919	962190970	/nfs/dbraw/zinc/19/09/70/962190970.db2.gz	QQGJBOAIJAPDJK-KSSFIOAISA-N	1	0	361.442	1.020	20	30		FDEDRO
CC[C@@H]1C[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)N(CC)CCC#N)C1	ZINC001182693363	962445138	/nfs/dbraw/zinc/44/51/38/962445138.db2.gz	QDOFYHKUTVMDJA-WOCWXWTJSA-N	1	0	362.518	1.869	20	30		FDEDRO
COc1ccc(C#N)cc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C2	ZINC001095241227	962526470	/nfs/dbraw/zinc/52/64/70/962526470.db2.gz	XRSACBJEGRXJQU-XWSJACJDSA-N	1	0	368.481	1.883	20	30		FDEDRO
COC(=O)c1ccc(C[C@@H](C)[NH+]2CCN(c3nccnc3C#N)CC2)cc1	ZINC001173724955	962573231	/nfs/dbraw/zinc/57/32/31/962573231.db2.gz	ACWOELMKLQRDHM-OAHLLOKOSA-N	1	0	365.437	1.888	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CC[C@]2(C1)C[C@H](NC(=O)N(C)C)CCO2	ZINC001183043353	962754505	/nfs/dbraw/zinc/75/45/05/962754505.db2.gz	QWGYMFDVPYNICC-VQIMIIECSA-N	1	0	364.490	1.060	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1	ZINC000773387014	962886210	/nfs/dbraw/zinc/88/62/10/962886210.db2.gz	HTFXAZRIDSCURX-QGZVFWFLSA-N	1	0	369.465	1.827	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1nnc(CC)n1C	ZINC001175358719	963163574	/nfs/dbraw/zinc/16/35/74/963163574.db2.gz	NQBVBRHWUFFYTR-OAGGEKHMSA-N	1	0	363.506	1.733	20	30		FDEDRO
C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H](C#N)Cc2ccc(O)cc2)C1	ZINC001183613283	963190293	/nfs/dbraw/zinc/19/02/93/963190293.db2.gz	SNTBDCDERPIQMZ-DLBZAZTESA-N	1	0	367.453	1.491	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1nncn1C	ZINC001175628317	963242662	/nfs/dbraw/zinc/24/26/62/963242662.db2.gz	AYOKHJTXSRBXON-BQFCYCMXSA-N	1	0	363.506	1.951	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NCCC	ZINC001175664210	963260928	/nfs/dbraw/zinc/26/09/28/963260928.db2.gz	RIPLBNMYEPSMBU-BQFCYCMXSA-N	1	0	353.507	1.758	20	30		FDEDRO
C[C@H]1CN(c2cc[nH+]cc2)CCN1CC#CCN1C(=O)c2ccccc2C1=O	ZINC001176281892	963400790	/nfs/dbraw/zinc/40/07/90/963400790.db2.gz	QZTZPDYVQUOWDA-KRWDZBQOSA-N	1	0	374.444	1.892	20	30		FDEDRO
C=C(CC(=O)OCCCC)C(=O)N1CCC([NH3+])(CC(=O)OCC)CC1	ZINC001184315619	963532029	/nfs/dbraw/zinc/53/20/29/963532029.db2.gz	IHRJFVNYVLLPJO-UHFFFAOYSA-N	1	0	354.447	1.549	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CCC[NH2+][C@@H]1CCNC1=O)CC1CCCC1	ZINC001177423650	963824860	/nfs/dbraw/zinc/82/48/60/963824860.db2.gz	HSOMZPPSKFLFSA-KURKYZTESA-N	1	0	363.502	1.465	20	30		FDEDRO
C[C@@H]1CCO[C@@H]1C(=O)N(CCC[NH2+]CC(=O)NCC#N)CC1CCCC1	ZINC001177423728	963825163	/nfs/dbraw/zinc/82/51/63/963825163.db2.gz	MPUNOIXZKXYWBW-QAPCUYQASA-N	1	0	364.490	1.050	20	30		FDEDRO
COc1cc(N(C(=O)Cc2ccnc(C#N)c2)C2CC[NH2+]CC2)ccn1	ZINC001177670463	963921823	/nfs/dbraw/zinc/92/18/23/963921823.db2.gz	CJSFAOACXLAIGA-UHFFFAOYSA-N	1	0	351.410	1.685	20	30		FDEDRO
O=C(C#Cc1cccnc1)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1	ZINC001177773931	963948369	/nfs/dbraw/zinc/94/83/69/963948369.db2.gz	PYOIEIDTPGTELV-JXFKEZNVSA-N	1	0	366.396	1.521	20	30		FDEDRO
O=C(C#Cc1ccccn1)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001177800758	963974005	/nfs/dbraw/zinc/97/40/05/963974005.db2.gz	IAAVSPIIOBWNQN-QUCCMNQESA-N	1	0	365.408	1.936	20	30		FDEDRO
C=CCCC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@]34C[C@H]3COC4)C2)nn1	ZINC001185953866	964212801	/nfs/dbraw/zinc/21/28/01/964212801.db2.gz	HTICVWJKPZPHMC-WDYCEAGBSA-N	1	0	359.474	1.534	20	30		FDEDRO
C=CCCC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@H]3OCC[C@H]3C)C2)nn1	ZINC001186008128	964251229	/nfs/dbraw/zinc/25/12/29/964251229.db2.gz	PYTWPOPQLCRTNP-NJAFHUGGSA-N	1	0	361.490	1.922	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCCCCCC[NH2+]CC(=O)N1CCC1	ZINC001178509191	964262530	/nfs/dbraw/zinc/26/25/30/964262530.db2.gz	IDOAQNCECUUUED-SJORKVTESA-N	1	0	351.491	1.466	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CCn2cncn2)C1	ZINC001186171734	964355198	/nfs/dbraw/zinc/35/51/98/964355198.db2.gz	GKKVCXODVOTGRI-IEBWSBKVSA-N	1	0	369.444	1.662	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccnn2C)CC12CCOCC2	ZINC001186432621	964507895	/nfs/dbraw/zinc/50/78/95/964507895.db2.gz	AKHURINBEGEVIT-BRWVUGGUSA-N	1	0	356.470	1.002	20	30		FDEDRO
C=CCc1c(F)c(F)c(C(=O)N(CC[NH3+])CC(=O)OCC)c(F)c1F	ZINC001186737723	964695737	/nfs/dbraw/zinc/69/57/37/964695737.db2.gz	RFIXVPXTPUUNAN-UHFFFAOYSA-N	1	0	362.323	1.936	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCCO1	ZINC000773799645	964699153	/nfs/dbraw/zinc/69/91/53/964699153.db2.gz	UAPJIHJHRUOSFT-RBUKOAKNSA-N	1	0	369.465	1.908	20	30		FDEDRO
C#C[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1	ZINC001179156386	964752064	/nfs/dbraw/zinc/75/20/64/964752064.db2.gz	PBMSGEQEUODJDW-GJZGRUSLSA-N	1	0	365.474	1.225	20	30		FDEDRO
C[C@H]1[C@@H]([NH2+]CC#Cc2ccccc2)CCN1C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC001179202836	964767338	/nfs/dbraw/zinc/76/73/38/964767338.db2.gz	QHWZAKJSWAUSOK-RKFFNLMFSA-N	1	0	368.477	1.669	20	30		FDEDRO
C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)[C@H]1C	ZINC001179191003	964784032	/nfs/dbraw/zinc/78/40/32/964784032.db2.gz	GOENALFUBALYOE-MHORFTMASA-N	1	0	351.491	1.021	20	30		FDEDRO
CC(=O)N(C)CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21	ZINC001186939640	964854125	/nfs/dbraw/zinc/85/41/25/964854125.db2.gz	GAFZIJJLJFCKOM-PKOBYXMFSA-N	1	0	370.453	1.100	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2nnc(C)n2C2CC2)C1	ZINC000962321295	1013530883	/nfs/dbraw/zinc/53/08/83/1013530883.db2.gz	JJRYGMWWWSGPCB-MMADZMRASA-N	1	0	359.474	1.497	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+]CCCS(C)(=O)=O	ZINC001179638139	964942198	/nfs/dbraw/zinc/94/21/98/964942198.db2.gz	KPRNUAFPXXCOHS-CVEARBPZSA-N	1	0	360.520	1.278	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCCCCC[NH2+]CC(=O)NCC	ZINC001179781051	964975841	/nfs/dbraw/zinc/97/58/41/964975841.db2.gz	GTYLXMNALJHBKW-WMZOPIPTSA-N	1	0	353.507	1.760	20	30		FDEDRO
C#CC1(O)CN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1	ZINC001179982156	965052444	/nfs/dbraw/zinc/05/24/44/965052444.db2.gz	DWUFGBLZDQUFEJ-KRWDZBQOSA-N	1	0	352.356	1.648	20	30		FDEDRO
C=CCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(c4cc(C)nn4C)C3=O)C[C@H]21	ZINC001187200682	965086033	/nfs/dbraw/zinc/08/60/33/965086033.db2.gz	ZCPUXNBYMJTGCU-GVDBMIGSSA-N	1	0	371.485	1.333	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](CCOCCOc3ccccc3)C[C@H]21	ZINC001187334899	965203662	/nfs/dbraw/zinc/20/36/62/965203662.db2.gz	NJIIJJIRWSSHJF-ZIFCJYIRSA-N	1	0	357.454	1.774	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc4c(c3)nnn4C)C[C@H]21	ZINC001187296834	965213980	/nfs/dbraw/zinc/21/39/80/965213980.db2.gz	TWZHEHFXHROCTC-MAUKXSAKSA-N	1	0	355.442	1.204	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(Cc3ccc(S(N)(=O)=O)o3)CC2)cc1	ZINC001180364620	965282671	/nfs/dbraw/zinc/28/26/71/965282671.db2.gz	ZOGABQDYDISKHQ-UHFFFAOYSA-N	1	0	374.466	1.507	20	30		FDEDRO
C#CC1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)OC)CC1	ZINC001180406141	965309460	/nfs/dbraw/zinc/30/94/60/965309460.db2.gz	CJMUEAMSBJIGRS-RBUKOAKNSA-N	1	0	354.450	1.779	20	30		FDEDRO
C[C@@](O)(C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)C(F)(F)F	ZINC001180490922	965334554	/nfs/dbraw/zinc/33/45/54/965334554.db2.gz	PKNHPJPFRDLTHY-OAHLLOKOSA-N	1	0	355.360	1.974	20	30		FDEDRO
C=CCSCC(=O)N(c1ccc(C)nn1)[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2	ZINC001180559581	965400498	/nfs/dbraw/zinc/40/04/98/965400498.db2.gz	UUENVJMFEAIZEO-MAUKXSAKSA-N	1	0	362.499	1.948	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](CCc3ccc(C)cc3)C[C@H]21	ZINC001187605265	965552812	/nfs/dbraw/zinc/55/28/12/965552812.db2.gz	ATFGUKSZNFFQDH-RBUKOAKNSA-N	1	0	353.466	1.210	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H](CC#N)C(=O)NC1CCN(c2cc[nH+]cc2)CC1	ZINC001180784746	965552841	/nfs/dbraw/zinc/55/28/41/965552841.db2.gz	KVCGVFYIBGHHFW-INIZCTEOSA-N	1	0	373.457	1.974	20	30		FDEDRO
CN1CCO[C@H](C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1	ZINC001180762538	965575543	/nfs/dbraw/zinc/57/55/43/965575543.db2.gz	NGVBZMUNLKUCCS-FHWLQOOXSA-N	1	0	356.470	1.487	20	30		FDEDRO
C[NH+](C)[C@]1(CNS(=O)(=O)c2cccc(C#N)c2Cl)CCSC1	ZINC001187694846	965640335	/nfs/dbraw/zinc/64/03/35/965640335.db2.gz	YUZBKISXXMFMPQ-AWEZNQCLSA-N	1	0	359.904	1.927	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)COCC(F)(F)F)C[C@H]21	ZINC001187737752	965695382	/nfs/dbraw/zinc/69/53/82/965695382.db2.gz	ZQKVDMVBLFOXCN-SOUVJXGZSA-N	1	0	362.392	1.262	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3N(C)C)C[C@H]21	ZINC001187864929	965807627	/nfs/dbraw/zinc/80/76/27/965807627.db2.gz	HGPPDBAAACBDJO-AZUAARDMSA-N	1	0	355.482	1.825	20	30		FDEDRO
Cc1cccc(OC[C@H](O)C[N@H+]2C[C@@H]3CCN(C(=O)C#CC(C)C)[C@@H]3C2)c1	ZINC001187828403	965821327	/nfs/dbraw/zinc/82/13/27/965821327.db2.gz	XSOQYNQEZVHICE-QKNQBKEWSA-N	1	0	370.493	1.927	20	30		FDEDRO
Cc1cccc(OC[C@@H](O)C[N@@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)c1	ZINC001187833399	965827154	/nfs/dbraw/zinc/82/71/54/965827154.db2.gz	NQTQSGFWDOUBKV-IRFCIJBXSA-N	1	0	368.477	1.681	20	30		FDEDRO
C=C(C)CCC(=O)N1CC[C@H]2C[N@H+](C[C@H](O)COCC(F)(F)F)C[C@H]21	ZINC001188081066	965996636	/nfs/dbraw/zinc/99/66/36/965996636.db2.gz	WBJVMNWZEYUWLA-SOUVJXGZSA-N	1	0	364.408	1.815	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@H]21)OCC	ZINC001188095867	966008108	/nfs/dbraw/zinc/00/81/08/966008108.db2.gz	UVEQCGDBLGDLGG-JQHSSLGASA-N	1	0	363.502	1.511	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cccn4)cc3)[C@@H]2C1	ZINC001188212394	966126945	/nfs/dbraw/zinc/12/69/45/966126945.db2.gz	HYYNRRPPQFFQMM-AZUAARDMSA-N	1	0	364.449	1.668	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cncn4)cc3)[C@@H]2C1	ZINC001188255895	966161020	/nfs/dbraw/zinc/16/10/20/966161020.db2.gz	WHICDRPQHCXYPY-PKOBYXMFSA-N	1	0	365.437	1.063	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4oc(=O)[nH]c4c3)[C@@H]2C1	ZINC001188263158	966168547	/nfs/dbraw/zinc/16/85/47/966168547.db2.gz	IFUGMNVLOUURFK-GOEBONIOSA-N	1	0	357.410	1.882	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1	ZINC001188313701	966192680	/nfs/dbraw/zinc/19/26/80/966192680.db2.gz	AIPPQRYKYLIYSP-RCCFBDPRSA-N	1	0	364.534	1.284	20	30		FDEDRO
C[NH+]1CCN(Cc2ccccc2C(=O)N2CCN(CCC#N)CC2)CC1	ZINC001188347162	966225603	/nfs/dbraw/zinc/22/56/03/966225603.db2.gz	CSDAIWHHDWEMKQ-UHFFFAOYSA-N	1	0	355.486	1.105	20	30		FDEDRO
C[NH+]1CCC(c2ccc(C(=O)Nc3nc(C#N)c(C#N)nc3N)cc2)CC1	ZINC001188305423	966228484	/nfs/dbraw/zinc/22/84/84/966228484.db2.gz	IJVVNVANDQXVCX-UHFFFAOYSA-N	1	0	361.409	1.864	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC[C@H]3CN(CC(=O)NCC#N)C[C@H]32)cc1	ZINC001188362930	966235024	/nfs/dbraw/zinc/23/50/24/966235024.db2.gz	OVTZUPPSBAEMPM-FUHWJXTLSA-N	1	0	368.437	1.037	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3COc4ccccc4C3)[C@@H]2C1	ZINC001188494643	966367463	/nfs/dbraw/zinc/36/74/63/966367463.db2.gz	HLALXTRTKFDWPC-IPMKNSEASA-N	1	0	356.466	1.973	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](OCC)C3CCOCC3)[C@@H]2C1	ZINC001188714834	966530362	/nfs/dbraw/zinc/53/03/62/966530362.db2.gz	ISSXXFLTTYHHFJ-OTWHNJEPSA-N	1	0	366.502	1.553	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@H]21	ZINC001188885616	966609255	/nfs/dbraw/zinc/60/92/55/966609255.db2.gz	RISQKHFJUJWDLR-YESZJQIVSA-N	1	0	369.531	1.157	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)c2cncnc2N)[C@H]2CC[C@H]([NH3+])CC2)cc1	ZINC001189120847	966776909	/nfs/dbraw/zinc/77/69/09/966776909.db2.gz	IOQXZPCPOPYDBK-WKILWMFISA-N	1	0	350.426	1.843	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)CS(=O)(=O)N(CC)CC)[C@@H]2C1	ZINC001189284435	966872034	/nfs/dbraw/zinc/87/20/34/966872034.db2.gz	YFDACSUAZSAXQM-JKSUJKDBSA-N	1	0	357.520	1.157	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C1(CO)CCN(C(=O)OC(C)(C)C)CC1	ZINC000852176966	967054660	/nfs/dbraw/zinc/05/46/60/967054660.db2.gz	FWROXHGEBMADQH-UHFFFAOYSA-N	1	0	367.490	1.539	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](C[N@@H+]1CC[C@](O)(CC#N)C1)O2	ZINC000852206044	967096563	/nfs/dbraw/zinc/09/65/63/967096563.db2.gz	XJSMMSCOLSMFFQ-WMLDXEAASA-N	1	0	351.447	1.505	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)COCc3nncn3C)[C@@H]2C1	ZINC001189612284	967112903	/nfs/dbraw/zinc/11/29/03/967112903.db2.gz	NTYKOKVZKJHTLL-DLBZAZTESA-N	1	0	361.490	1.611	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c4cccnc43)[C@@H]2C1	ZINC001189794666	967272095	/nfs/dbraw/zinc/27/20/95/967272095.db2.gz	UWVMTVUUCFFPNS-GRDNDAEWSA-N	1	0	367.453	1.400	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NC(C)C)CCOCC1	ZINC001110649334	967280304	/nfs/dbraw/zinc/28/03/04/967280304.db2.gz	DJGUCEWNHSMNRQ-ZACQAIPSSA-N	1	0	361.486	1.053	20	30		FDEDRO
COC(=O)C1(C#N)CCN(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)CC1	ZINC000852600605	967458262	/nfs/dbraw/zinc/45/82/62/967458262.db2.gz	CNASMIUQTNAMEQ-OAHLLOKOSA-N	1	0	350.463	1.595	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c(cn3)nc[nH]c4=O)[C@@H]2C1	ZINC001189963437	967458494	/nfs/dbraw/zinc/45/84/94/967458494.db2.gz	UALNFTFKWDRSER-SUMWQHHRSA-N	1	0	353.426	1.843	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCN2CCCC2=O)CCC1	ZINC001110654771	967474019	/nfs/dbraw/zinc/47/40/19/967474019.db2.gz	ZZMWXQXXZAVGRA-KURKYZTESA-N	1	0	357.498	1.914	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)COc3c(C)cccc3C)[C@@H]2C1	ZINC001190066445	967499929	/nfs/dbraw/zinc/49/99/29/967499929.db2.gz	SBZIQCWCVHSMFB-RBUKOAKNSA-N	1	0	356.466	1.865	20	30		FDEDRO
COCCNC(=O)c1ccc(NC(=O)C#CC2CC[NH2+]CC2)cc1Cl	ZINC000852817349	967629648	/nfs/dbraw/zinc/62/96/48/967629648.db2.gz	AQIQQOMQDCLJIZ-UHFFFAOYSA-N	1	0	363.845	1.658	20	30		FDEDRO
C=CC[C@@]1(C(=O)N[C@H](C)c2cccc(NS(C)(=O)=O)c2)CCC[NH2+]1	ZINC000852817020	967629966	/nfs/dbraw/zinc/62/99/66/967629966.db2.gz	MRVATKREJOFRFQ-DYVFJYSZSA-N	1	0	351.472	1.934	20	30		FDEDRO
CCC[C@@H](NC(=O)C#CC1CC[NH2+]CC1)C(=O)N1CCc2sccc2C1	ZINC000852828867	967639676	/nfs/dbraw/zinc/63/96/76/967639676.db2.gz	UBIAFUHYOIPDGV-QGZVFWFLSA-N	1	0	373.522	1.921	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)COc3ccccc3)[C@@H]2C1	ZINC001190202801	967657660	/nfs/dbraw/zinc/65/76/60/967657660.db2.gz	DILDSBDOENQESQ-WSTZPKSXSA-N	1	0	356.466	1.884	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c4ncccc34)[C@@H]2C1	ZINC001190204013	967659695	/nfs/dbraw/zinc/65/96/95/967659695.db2.gz	MYDYIZSETUEVMY-JKIFEVAISA-N	1	0	367.453	1.400	20	30		FDEDRO
CC(C)[C@@H](NC(=O)C#CC1CC[NH2+]CC1)c1nc(-c2cccnc2)no1	ZINC000852863600	967669255	/nfs/dbraw/zinc/66/92/55/967669255.db2.gz	HFTYMBOKJQRJIS-QGZVFWFLSA-N	1	0	353.426	1.948	20	30		FDEDRO
Nc1cc(CCCNC(=O)C#CC2CC[NH2+]CC2)nn1-c1ccccc1	ZINC000852870505	967676742	/nfs/dbraw/zinc/67/67/42/967676742.db2.gz	CVWXAUFARQINBD-UHFFFAOYSA-N	1	0	351.454	1.506	20	30		FDEDRO
CC(=O)N1CCN(Cc2cccc(NC(=O)C#CC3CC[NH2+]CC3)c2)CC1	ZINC000852890183	967692898	/nfs/dbraw/zinc/69/28/98/967692898.db2.gz	SLKWZGTWEJPHJY-UHFFFAOYSA-N	1	0	368.481	1.292	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2COC(=O)C2)C3)cc1	ZINC001095312690	967851387	/nfs/dbraw/zinc/85/13/87/967851387.db2.gz	FBJRHOHIJABHJA-BDXSIMOUSA-N	1	0	353.422	1.733	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)COC[C@@H]4CCCO4)[C@@H]3C2)c1	ZINC001190508451	967907432	/nfs/dbraw/zinc/90/74/32/967907432.db2.gz	JKPQHTCAEFIMLR-SLFFLAALSA-N	1	0	369.465	1.787	20	30		FDEDRO
CC(Cn1cncn1)=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000853267233	967950556	/nfs/dbraw/zinc/95/05/56/967950556.db2.gz	JHUJESJQPJFHPH-UHFFFAOYSA-N	1	0	371.514	1.783	20	30		FDEDRO
C#Cc1cccnc1N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1	ZINC000853324347	967970672	/nfs/dbraw/zinc/97/06/72/967970672.db2.gz	CECCAXFMJAKUDT-KRWDZBQOSA-N	1	0	364.453	1.770	20	30		FDEDRO
CC(=NNC1=[NH+][C@H]2CCCC[C@H]2N1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000853324644	967970797	/nfs/dbraw/zinc/97/07/97/967970797.db2.gz	LUKQOZBIQNVTJR-QLFBSQMISA-N	1	0	365.478	1.858	20	30		FDEDRO
C[C@]12COC[C@H]1C[N@H+](CN1CC(=O)N(Cc3ccccc3C#N)C1=O)C2	ZINC000853567664	968130423	/nfs/dbraw/zinc/13/04/23/968130423.db2.gz	WHQYAOJRZBZQLP-APWZRJJASA-N	1	0	354.410	1.248	20	30		FDEDRO
CN1CCC(CNS(=O)(=O)c2cc(C#N)ccc2Cl)([NH+](C)C)CC1	ZINC001190984471	968214463	/nfs/dbraw/zinc/21/44/63/968214463.db2.gz	SCSFWNLPUQHZHR-UHFFFAOYSA-N	1	0	370.906	1.516	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)/C=C(\C)C2CC2)C1	ZINC001191402059	968471310	/nfs/dbraw/zinc/47/13/10/968471310.db2.gz	YYPJOMGFCQMPFB-OUAQZORNSA-N	1	0	363.502	1.317	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)ccn1	ZINC001191547880	968605185	/nfs/dbraw/zinc/60/51/85/968605185.db2.gz	DPJQQPIOEANWDW-RBUKOAKNSA-N	1	0	363.421	1.464	20	30		FDEDRO
N#Cc1cc(C(=O)N(c2ncccc2F)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)ccn1	ZINC001191548408	968605687	/nfs/dbraw/zinc/60/56/87/968605687.db2.gz	JLDPVBWWBZDCGH-KXBFYZLASA-N	1	0	367.384	1.655	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)c1c(C)n(C)n(-c2ccccc2)c1=O	ZINC001191679009	968678821	/nfs/dbraw/zinc/67/88/21/968678821.db2.gz	IHSVFYDGDXBOPG-KRWDZBQOSA-N	1	0	354.454	1.865	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1CN(C[C@@H](O)COc2ccccc2Cl)C[C@H]1O	ZINC001191644908	968684897	/nfs/dbraw/zinc/68/48/97/968684897.db2.gz	AOQBPUNEFCWIHS-FVQBIDKESA-N	1	0	368.861	1.207	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1CN([C@@H](C)C(=O)NCc2ccc(C)cc2)C[C@H]1O	ZINC001191644923	968684932	/nfs/dbraw/zinc/68/49/32/968684932.db2.gz	BBTRGOVBOVZLSY-CGTJXYLNSA-N	1	0	359.470	1.127	20	30		FDEDRO
C[C@@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(C#N)c(F)c1	ZINC000776742957	968908442	/nfs/dbraw/zinc/90/84/42/968908442.db2.gz	MBLWXEZAVDZNSF-CZUORRHYSA-N	1	0	369.462	1.836	20	30		FDEDRO
COCC[C@@H](c1ccccc1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1	ZINC001192036725	968918725	/nfs/dbraw/zinc/91/87/25/968918725.db2.gz	CGCIMLYGNQLSHM-CEXWTWQISA-N	1	0	368.437	1.439	20	30		FDEDRO
CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)C#CC1CC1	ZINC000854471096	968921025	/nfs/dbraw/zinc/92/10/25/968921025.db2.gz	OBIZCCLZOKVCGF-UHFFFAOYSA-N	1	0	353.422	1.086	20	30		FDEDRO
CC[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)CCNC1=O	ZINC001110686141	968921521	/nfs/dbraw/zinc/92/15/21/968921521.db2.gz	NDSYZNJUGJGSLS-WIRSXHRWSA-N	1	0	366.465	1.696	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@@H]([NH+](C)C)C2)cn1	ZINC000854632012	969036153	/nfs/dbraw/zinc/03/61/53/969036153.db2.gz	ALEFABLFIPXWCJ-MSOLQXFVSA-N	1	0	356.470	1.370	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCCc2ccc(Cl)cc2)C[C@H]1O	ZINC001192540750	969181696	/nfs/dbraw/zinc/18/16/96/969181696.db2.gz	SUWKVOMAFSUXHE-ZHALLVOQSA-N	1	0	366.889	1.761	20	30		FDEDRO
CC(C)COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C#N)[nH]1)C2	ZINC001110449998	969281233	/nfs/dbraw/zinc/28/12/33/969281233.db2.gz	MPDFDTNLKWATFD-AHCXZYCDSA-N	1	0	360.458	1.255	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2c(C)ccc3ccccc32)C[C@H]1O	ZINC001192886766	969349233	/nfs/dbraw/zinc/34/92/33/969349233.db2.gz	ZBRJNDZOADBXQD-NHCUHLMSSA-N	1	0	366.461	1.849	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](OC)C2CCC2)C[C@H]1O	ZINC001192924290	969381552	/nfs/dbraw/zinc/38/15/52/969381552.db2.gz	GNFFRGRYPWABEO-GUDVDZBRSA-N	1	0	368.518	1.726	20	30		FDEDRO
N#CCS(=O)(=O)NC[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1	ZINC001192994716	969396916	/nfs/dbraw/zinc/39/69/16/969396916.db2.gz	BARMYDHLWAWRGY-IBGZPJMESA-N	1	0	373.478	1.493	20	30		FDEDRO
N#Cc1ccncc1C(=O)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1	ZINC001192967420	969407628	/nfs/dbraw/zinc/40/76/28/969407628.db2.gz	DWOIIKZNHFUVRB-AUUYWEPGSA-N	1	0	367.384	1.655	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn([C@@H](C)COC)nc2C)C1	ZINC001192969422	969409759	/nfs/dbraw/zinc/40/97/59/969409759.db2.gz	PBFVVMASJZSAGX-IAOVAPTHSA-N	1	0	350.463	1.140	20	30		FDEDRO
COc1cc(C)nc(N(C(=O)c2cnccc2C#N)C2CC[NH2+]CC2)n1	ZINC001192974353	969413465	/nfs/dbraw/zinc/41/34/65/969413465.db2.gz	UGAZBPYYMDKSAK-UHFFFAOYSA-N	1	0	352.398	1.459	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2coc3ccc(C)cc23)C1	ZINC001193362010	969660505	/nfs/dbraw/zinc/66/05/05/969660505.db2.gz	CENAJHDVGHUZCA-QZTJIDSGSA-N	1	0	358.438	1.648	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1	ZINC001193455951	969719128	/nfs/dbraw/zinc/71/91/28/969719128.db2.gz	ITYWQZSYDKSHME-RCCFBDPRSA-N	1	0	365.518	1.399	20	30		FDEDRO
C[NH+](C)C1CN(C(=O)c2cc(I)ccc2C#N)C1	ZINC001193573518	969743063	/nfs/dbraw/zinc/74/30/63/969743063.db2.gz	HYBIPHYJWQJXLI-UHFFFAOYSA-N	1	0	355.179	1.549	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2ccccn2)C1	ZINC001193611896	969765360	/nfs/dbraw/zinc/76/53/60/969765360.db2.gz	HXMCBQKNJHGICG-IAOVAPTHSA-N	1	0	355.442	1.601	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](C[C@@H](Cc3ccccc3)OC)C[C@H]2O)CCC1	ZINC001193691789	969815875	/nfs/dbraw/zinc/81/58/75/969815875.db2.gz	VZBXCOCFHKIIKU-VAMGGRTRSA-N	1	0	370.493	1.599	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc3c(c2)NC(=O)C3)C1	ZINC001193842512	969867570	/nfs/dbraw/zinc/86/75/70/969867570.db2.gz	AVDRHLXTSNJPNY-FSPWUOQZSA-N	1	0	357.454	1.240	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnn3c2CCCC3)C1	ZINC001193892240	969910538	/nfs/dbraw/zinc/91/05/38/969910538.db2.gz	HACFNIIUCWXARJ-IEBWSBKVSA-N	1	0	360.502	1.670	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CC[C@H](C(F)(F)F)O2)C1	ZINC001193919458	969925161	/nfs/dbraw/zinc/92/51/61/969925161.db2.gz	YLZWSGROWFJXBC-REWJHTLYSA-N	1	0	350.381	1.614	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(NC(C)=O)CCCCC2)C1	ZINC001194226662	970056028	/nfs/dbraw/zinc/05/60/28/970056028.db2.gz	AMSJYVXPPSPYEG-USXIJHARSA-N	1	0	351.491	1.341	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(CN(C)C)on2)C1	ZINC001194321322	970103551	/nfs/dbraw/zinc/10/35/51/970103551.db2.gz	RSRWNIBKUQRJIY-IAGOWNOFSA-N	1	0	350.463	1.258	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCc2ccc(OC)cc2)C1	ZINC001194359558	970126180	/nfs/dbraw/zinc/12/61/80/970126180.db2.gz	SXWJRFSXYXXREV-KFKAGJAMSA-N	1	0	362.470	1.728	20	30		FDEDRO
CC(=NNC1CCS(=O)(=O)CC1)c1cccc(OCC[NH+](C)C)c1	ZINC000776791753	970147990	/nfs/dbraw/zinc/14/79/90/970147990.db2.gz	CHOCZLRCLQVOIN-UHFFFAOYSA-N	1	0	353.488	1.518	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc(OC)c(F)c2)C1	ZINC001194483151	970210061	/nfs/dbraw/zinc/21/00/61/970210061.db2.gz	CELHFKOIIWQSAN-KBRIMQKVSA-N	1	0	350.434	1.893	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cnc3ccccc32)C1	ZINC001194534228	970236705	/nfs/dbraw/zinc/23/67/05/970236705.db2.gz	IKOSVAULBWUTRG-KVSKMBFKSA-N	1	0	356.470	1.942	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3cc(OC)ccn32)C1	ZINC001194673459	970311537	/nfs/dbraw/zinc/31/15/37/970311537.db2.gz	MWINGELHVQVXKY-YSVLISHTSA-N	1	0	358.442	1.473	20	30		FDEDRO
C#CCN1CCC[C@@H](NS(=O)(=O)CCCOc2ccc(OC)cc2)C1	ZINC001194690146	970329064	/nfs/dbraw/zinc/32/90/64/970329064.db2.gz	GBINSTVFUWGKKI-MRXNPFEDSA-N	1	0	366.483	1.481	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](OC)c2cnn(C)c2)C1	ZINC001195029540	970620707	/nfs/dbraw/zinc/62/07/07/970620707.db2.gz	DKRUTLWOZOACJN-BRWVUGGUSA-N	1	0	350.463	1.015	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccccc1CC	ZINC001110465559	970661578	/nfs/dbraw/zinc/66/15/78/970661578.db2.gz	JATKBIOIKKKICB-AQNXPRMDSA-N	1	0	367.493	1.653	20	30		FDEDRO
C=C(C)[C@@H](CO)[N@@H+]1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1	ZINC000776837287	970685902	/nfs/dbraw/zinc/68/59/02/970685902.db2.gz	GPCGAHBVJHQVEB-JKSUJKDBSA-N	1	0	367.490	1.467	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3c(c2)c(C)nn3C)C1	ZINC001195128296	970708519	/nfs/dbraw/zinc/70/85/19/970708519.db2.gz	FUZKGSABOAXDRO-QZTJIDSGSA-N	1	0	371.485	1.798	20	30		FDEDRO
C#C[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCCO1	ZINC000775797569	972552621	/nfs/dbraw/zinc/55/26/21/972552621.db2.gz	DCIUDLWYZTVDPZ-LMYUZPBBSA-N	1	0	373.497	1.940	20	30		FDEDRO
CN(CCC[NH+](C)C)Cc1ccc(C(=O)Nc2cnc(C#N)cn2)cc1	ZINC001198008249	972636010	/nfs/dbraw/zinc/63/60/10/972636010.db2.gz	UXQOFCYZOBRXLU-UHFFFAOYSA-N	1	0	352.442	1.984	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1OC	ZINC000645028747	1014042638	/nfs/dbraw/zinc/04/26/38/1014042638.db2.gz	RXRBABCSGSUQHM-HOCLYGCPSA-N	1	0	361.442	1.403	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccccc2)C1	ZINC001198076545	972730303	/nfs/dbraw/zinc/73/03/03/972730303.db2.gz	ZRCVOBACKMVCFP-QZTJIDSGSA-N	1	0	359.470	1.324	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@](C)(C(=O)OC)c2cccc([N+](=O)[O-])c2)CC1	ZINC000863300065	972774425	/nfs/dbraw/zinc/77/44/25/972774425.db2.gz	CWQCOAOGWKJKLG-LJQANCHMSA-N	1	0	373.409	1.444	20	30		FDEDRO
CC1(C)CO[C@@H](CCC(=O)N[C@@H]2CN(Cc3cccc(C#N)c3)C[C@H]2O)C1	ZINC001198172417	972852626	/nfs/dbraw/zinc/85/26/26/972852626.db2.gz	XQMIFIYAXHPFSG-IPMKNSEASA-N	1	0	371.481	1.815	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)C1	ZINC001198199857	972870105	/nfs/dbraw/zinc/87/01/05/972870105.db2.gz	GXCNHHHYWXQJHC-IAGOWNOFSA-N	1	0	371.441	1.252	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CO[C@@H](C)c2nccn2C)C1	ZINC001198233848	972924643	/nfs/dbraw/zinc/92/46/43/972924643.db2.gz	OYKYZUANEKKGMV-GVDBMIGSSA-N	1	0	366.506	1.629	20	30		FDEDRO
COC(=O)c1cc(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)ccc1OC	ZINC000863549214	973003477	/nfs/dbraw/zinc/00/34/77/973003477.db2.gz	CYMSFBCFCMPWMU-HNNXBMFYSA-N	1	0	362.426	1.643	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]C[C@H](O)COc2cccc(F)c2)CCOCC1	ZINC000863559939	973016574	/nfs/dbraw/zinc/01/65/74/973016574.db2.gz	ZLYCLRFLDHLABC-CVEARBPZSA-N	1	0	352.406	1.226	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccc(F)cc2)C1	ZINC001198359280	973055389	/nfs/dbraw/zinc/05/53/89/973055389.db2.gz	JLZLHNYBGKYPIR-IAOVAPTHSA-N	1	0	363.433	1.072	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccc(F)cc2)C1	ZINC001198359281	973056204	/nfs/dbraw/zinc/05/62/04/973056204.db2.gz	JLZLHNYBGKYPIR-KBRIMQKVSA-N	1	0	363.433	1.072	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@H]2C)nc1	ZINC000958029190	1014090731	/nfs/dbraw/zinc/09/07/31/1014090731.db2.gz	KVGDFXQFCJYDHH-WXSAJPJJSA-N	1	0	368.481	1.370	20	30		FDEDRO
COCC#CCN1C[C@@H](O)[C@H](NC(=O)CC(C)(C)c2ccc(C)cc2)C1	ZINC001198481890	973190959	/nfs/dbraw/zinc/19/09/59/973190959.db2.gz	JAYSRWOGRMVSFP-RTBURBONSA-N	1	0	358.482	1.474	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC000958029109	1014090164	/nfs/dbraw/zinc/09/01/64/1014090164.db2.gz	HETVDMFLFLPDRF-RPCCPQHDSA-N	1	0	357.458	1.193	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1	ZINC000119763679	973344772	/nfs/dbraw/zinc/34/47/72/973344772.db2.gz	WDUIBFVACQORIR-CRAIPNDOSA-N	1	0	357.454	1.826	20	30		FDEDRO
C=C[C@@H](CC(=O)N[C@@H]1CN(Cc2nccnc2C)C[C@H]1O)c1ccccc1	ZINC001198939595	973712977	/nfs/dbraw/zinc/71/29/77/973712977.db2.gz	ANWNCTZCCNKKLW-PWIZWCRZSA-N	1	0	366.465	1.806	20	30		FDEDRO
C=C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O)c1ccccc1	ZINC001198955425	973736700	/nfs/dbraw/zinc/73/67/00/973736700.db2.gz	CRMUGEYAYPRLBO-VAMGGRTRSA-N	1	0	358.482	1.934	20	30		FDEDRO
C=C[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O)c1ccccc1	ZINC001198956063	973740314	/nfs/dbraw/zinc/74/03/14/973740314.db2.gz	PATQYHIPJUWDSD-XUVXKRRUSA-N	1	0	358.482	1.934	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN2C(=O)CCC)C1	ZINC001198983438	973780293	/nfs/dbraw/zinc/78/02/93/973780293.db2.gz	WAJGFZQSTRLUGH-BRWVUGGUSA-N	1	0	351.491	1.295	20	30		FDEDRO
CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@H]1O	ZINC001199119397	973960004	/nfs/dbraw/zinc/96/00/04/973960004.db2.gz	CQZUGSMZPCVDKC-QZTJIDSGSA-N	1	0	363.889	1.193	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@H]1O	ZINC001199314891	974148459	/nfs/dbraw/zinc/14/84/59/974148459.db2.gz	SSAYSFAVQNNMHC-BMGDILEWSA-N	1	0	355.438	1.487	20	30		FDEDRO
C#CC[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)c1ccccc1	ZINC001199466898	974279632	/nfs/dbraw/zinc/27/96/32/974279632.db2.gz	NBUYYCNPDHGHAI-XUVXKRRUSA-N	1	0	366.465	1.242	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]C[C@@H]1CCCC[C@H]1NS(C)(=O)=O	ZINC000865565147	974363455	/nfs/dbraw/zinc/36/34/55/974363455.db2.gz	LMVSJRJYLXEADQ-DOTOQJQBSA-N	1	0	364.515	1.822	20	30		FDEDRO
C#Cc1cccc(N(C)C(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)c1	ZINC000105324485	974576166	/nfs/dbraw/zinc/57/61/66/974576166.db2.gz	NOIHASUOUDODOR-MJGOQNOKSA-N	1	0	353.466	1.964	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOc1ccc(OC)cc1	ZINC001110545048	974597463	/nfs/dbraw/zinc/59/74/63/974597463.db2.gz	QKNLENMIEOYRSS-AHRSYUTCSA-N	1	0	372.465	1.835	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)Cn2ccc(Br)cc2=O)CC1	ZINC000866015494	974623082	/nfs/dbraw/zinc/62/30/82/974623082.db2.gz	PCRWPYCPOAHBGI-UHFFFAOYSA-N	1	0	366.259	1.215	20	30		FDEDRO
COC(=O)CCNC(=S)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC001200006190	974646060	/nfs/dbraw/zinc/64/60/60/974646060.db2.gz	UFQITUQFWKEQIK-UHFFFAOYSA-N	1	0	360.483	1.550	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cc1ccc(F)cc1	ZINC001110550816	974732852	/nfs/dbraw/zinc/73/28/52/974732852.db2.gz	HGCFMTFGIACYRB-WTGUMLROSA-N	1	0	374.456	1.491	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C#N)cc1F	ZINC001110553297	974767563	/nfs/dbraw/zinc/76/75/63/974767563.db2.gz	IKIDMSTVWPKDRK-QRQLOZEOSA-N	1	0	355.413	1.959	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc2c(c1)COC2	ZINC001110553483	974771819	/nfs/dbraw/zinc/77/18/19/974771819.db2.gz	RNWLAWTYOXSYPA-AQNXPRMDSA-N	1	0	354.450	1.978	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2CC(C)(C)C)CCCO1	ZINC001200547045	974815883	/nfs/dbraw/zinc/81/58/83/974815883.db2.gz	LAFSLAHEQVDIOB-YESZJQIVSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)N[C@H](C)CC)CC1	ZINC001200628927	974848533	/nfs/dbraw/zinc/84/85/33/974848533.db2.gz	PNUHCTFZHZECKQ-OIISXLGYSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCO[C@H]2c2nccn2C)CCCO1	ZINC001200721318	974882373	/nfs/dbraw/zinc/88/23/73/974882373.db2.gz	KEPPLPXHBVEXFL-GVDBMIGSSA-N	1	0	362.474	1.281	20	30		FDEDRO
C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1ccc(OCC#N)cc1	ZINC000776163433	975025870	/nfs/dbraw/zinc/02/58/70/975025870.db2.gz	QWAJQCWPRMHUNR-CYBMUJFWSA-N	1	0	364.427	1.347	20	30		FDEDRO
O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCCO[C@H](C[NH2+]CC#Cc2ccccc2)C1	ZINC001201447030	975064135	/nfs/dbraw/zinc/06/41/35/975064135.db2.gz	JJWZOKWZRNUYCJ-NCYKPQTJSA-N	1	0	368.477	1.813	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C[C@@](O)(c2nccn2C)C(F)(F)F)CC1	ZINC000106035479	975064933	/nfs/dbraw/zinc/06/49/33/975064933.db2.gz	ONMXXDRYHFUAJO-MRXNPFEDSA-N	1	0	374.407	1.717	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCCOC)C1	ZINC001201600589	975092317	/nfs/dbraw/zinc/09/23/17/975092317.db2.gz	HUVCAHZLUKDIEP-BZSNNMDCSA-N	1	0	354.491	1.601	20	30		FDEDRO
COc1cccc([C@H](C#N)NC(=O)c2ccn(CC[NH+](C)C)n2)c1OC	ZINC000847443123	975631411	/nfs/dbraw/zinc/63/14/11/975631411.db2.gz	AIMHYRXAHTZXFN-HNNXBMFYSA-N	1	0	357.414	1.457	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)CC1	ZINC000847514718	975758340	/nfs/dbraw/zinc/75/83/40/975758340.db2.gz	IRXQTNPJEAYFEO-UHFFFAOYSA-N	1	0	369.874	1.205	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3cc(F)cc(C#N)c3)CC2)C1	ZINC000866793902	976059042	/nfs/dbraw/zinc/05/90/42/976059042.db2.gz	LGFUHZDNWNMBKZ-INIZCTEOSA-N	1	0	366.462	1.098	20	30		FDEDRO
C[NH+](C)CCCS(=O)(=O)NC1CCN(c2ccccc2C#N)CC1	ZINC000867612019	976506693	/nfs/dbraw/zinc/50/66/93/976506693.db2.gz	RWWCTGHAOPPXQI-UHFFFAOYSA-N	1	0	350.488	1.398	20	30		FDEDRO
C[NH2+][C@@H](C)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1	ZINC000848397791	976717918	/nfs/dbraw/zinc/71/79/18/976717918.db2.gz	MAFYVJVMMJPXTD-BPHPCYGNSA-N	1	0	366.487	1.826	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CC[NH2+]C2CC2)cc1	ZINC000848397574	976718295	/nfs/dbraw/zinc/71/82/95/976718295.db2.gz	GIQHBPBGEAUBSH-CAPFRKAQSA-N	1	0	364.471	1.580	20	30		FDEDRO
C[N@H+](C[C@@H]1CCCOC1)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O	ZINC000107671543	976891429	/nfs/dbraw/zinc/89/14/29/976891429.db2.gz	WXFSWTACWJXDKE-KRWDZBQOSA-N	1	0	356.426	1.638	20	30		FDEDRO
N#Cc1cc(NC(=O)N[C@@H](C[NH3+])C(F)(F)F)ccc1N1CCC(O)CC1	ZINC000848594228	976931864	/nfs/dbraw/zinc/93/18/64/976931864.db2.gz	AAHKBNBTOUQVQO-AWEZNQCLSA-N	1	0	371.363	1.530	20	30		FDEDRO
C=CCn1c2ncn(C[C@@H](O)C[N@@H+](C)CCOC)c(=O)c2sc1=S	ZINC000848675147	976990170	/nfs/dbraw/zinc/99/01/70/976990170.db2.gz	SBFDCYGDGDYEHP-NSHDSACASA-N	1	0	370.500	1.114	20	30		FDEDRO
Cc1noc([C@@H]2CCCN(C(=O)[C@@H]3[NH2+]CCc4cc(C#N)ccc43)C2)n1	ZINC000867927848	977101817	/nfs/dbraw/zinc/10/18/17/977101817.db2.gz	PYBMQGDRGXBMSH-NVXWUHKLSA-N	1	0	351.410	1.843	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC(OC[C@@H]2CCCO2)CC1	ZINC000867942665	977120524	/nfs/dbraw/zinc/12/05/24/977120524.db2.gz	FFEBTCRQJYMDGR-ICSRJNTNSA-N	1	0	369.465	1.932	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCCOc1ccc2c(c1)OCO2	ZINC000867948401	977128521	/nfs/dbraw/zinc/12/85/21/977128521.db2.gz	VGCVEIDVKBAVAF-IBGZPJMESA-N	1	0	365.389	1.669	20	30		FDEDRO
COC(=O)[C@H](NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)c1cccs1	ZINC000867957712	977141699	/nfs/dbraw/zinc/14/16/99/977141699.db2.gz	WCOSLMIOCTUNNH-HZPDHXFCSA-N	1	0	355.419	1.837	20	30		FDEDRO
N#Cc1ccc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)cc1Cl	ZINC000848988745	977285863	/nfs/dbraw/zinc/28/58/63/977285863.db2.gz	CKNLUTIGDHXSTM-UHFFFAOYSA-N	1	0	355.833	1.848	20	30		FDEDRO
CCNC(NCc1ccccc1OCC(=O)NC[C@H]1CCCO1)=[NH+]CC	ZINC000849006806	977289183	/nfs/dbraw/zinc/28/91/83/977289183.db2.gz	VGOIAYBCUPIMJL-MRXNPFEDSA-N	1	0	362.474	1.436	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@@H](O)c1ccc(Cl)c(F)c1	ZINC000849018869	977291229	/nfs/dbraw/zinc/29/12/29/977291229.db2.gz	FUMAXSIWKZUNFQ-OAHLLOKOSA-N	1	0	358.845	1.010	20	30		FDEDRO
CCCCCn1cc(CNC(NCCN2CCOCC2)=[NH+]C)c(C)n1	ZINC000849050414	977292732	/nfs/dbraw/zinc/29/27/32/977292732.db2.gz	QIRSLZCTLFOYBX-UHFFFAOYSA-N	1	0	350.511	1.379	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCc3ccc(C#N)cn3)=[NH+]C[C@H]2C1	ZINC000849078183	977305452	/nfs/dbraw/zinc/30/54/52/977305452.db2.gz	XGCIKMACITYHRW-HNNXBMFYSA-N	1	0	356.430	1.334	20	30		FDEDRO
C=C(C)CNC(=[NH2+])NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1	ZINC000849105002	977317597	/nfs/dbraw/zinc/31/75/97/977317597.db2.gz	LGQINNVIGOZMBV-INIZCTEOSA-N	1	0	362.449	1.533	20	30		FDEDRO
C[NH+]=C(NC[C@@H](CO)Cc1ccc(OC)c(Br)c1)NC1CC1	ZINC000849110449	977320882	/nfs/dbraw/zinc/32/08/82/977320882.db2.gz	YGAMAXHZBYXRLV-LBPRGKRZSA-N	1	0	370.291	1.936	20	30		FDEDRO
N#Cc1ccccc1N1CCC(NC(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1	ZINC000868169507	977332054	/nfs/dbraw/zinc/33/20/54/977332054.db2.gz	YJLKFPXPLKAVNW-AWEZNQCLSA-N	1	0	355.364	1.716	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1	ZINC000868294177	977461730	/nfs/dbraw/zinc/46/17/30/977461730.db2.gz	JSGSZAZGTHBQGW-CQSZACIVSA-N	1	0	361.417	1.671	20	30		FDEDRO
Cc1cc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)n(CCC#N)n1	ZINC000849508261	977702151	/nfs/dbraw/zinc/70/21/51/977702151.db2.gz	UAYCQYIJKBXSGW-CVEARBPZSA-N	1	0	355.446	1.513	20	30		FDEDRO
C#C[C@H](NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)[C@@H]1CCCO1	ZINC000849574793	977777132	/nfs/dbraw/zinc/77/71/32/977777132.db2.gz	ADTPALNMTNSIBM-XWSJACJDSA-N	1	0	358.486	1.531	20	30		FDEDRO
C#CCn1cc(CNC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cn1	ZINC000849590203	977796436	/nfs/dbraw/zinc/79/64/36/977796436.db2.gz	XTDANIKIDMTUJT-MOPGFXCFSA-N	1	0	368.485	1.380	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCCc2ccc(C#N)cc2)CC1=O	ZINC000849766957	977973135	/nfs/dbraw/zinc/97/31/35/977973135.db2.gz	VXAZMPNWSBAPRV-RTBURBONSA-N	1	0	369.465	1.977	20	30		FDEDRO
C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1	ZINC001202478149	978221270	/nfs/dbraw/zinc/22/12/70/978221270.db2.gz	DGQZGDAVVCGYRM-MSOLQXFVSA-N	1	0	363.502	1.703	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)NCC2CC[NH+](C3CCOCC3)CC2)c1	ZINC000850521270	978415075	/nfs/dbraw/zinc/41/50/75/978415075.db2.gz	DNOKLNBEVGTLDY-UHFFFAOYSA-N	1	0	369.465	1.614	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1	ZINC000850549939	978433427	/nfs/dbraw/zinc/43/34/27/978433427.db2.gz	LSTOFCLMEMFTAL-UONOGXRCSA-N	1	0	358.442	1.905	20	30		FDEDRO
Cc1ncc(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1C#N	ZINC000850586188	978448007	/nfs/dbraw/zinc/44/80/07/978448007.db2.gz	NGDORODQJUPTCA-QGZVFWFLSA-N	1	0	359.455	1.306	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N(CC)[C@H]1CC[N@H+](CC)C1	ZINC000850607571	978476817	/nfs/dbraw/zinc/47/68/17/978476817.db2.gz	LVHYOMVNXRCVRA-HNNXBMFYSA-N	1	0	361.417	1.719	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1OC)C1CCOCC1	ZINC000850687484	978610677	/nfs/dbraw/zinc/61/06/77/978610677.db2.gz	ZSWKKAIIPCZCEC-INIZCTEOSA-N	1	0	373.453	1.240	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)C1CCOCC1	ZINC000850687741	978611128	/nfs/dbraw/zinc/61/11/28/978611128.db2.gz	GFYJMOPTVMTBLL-SFHVURJKSA-N	1	0	357.454	1.274	20	30		FDEDRO
C#CCCN(CCOC)C(=O)C(=O)N1CCC(C[NH+](CC)CC)CC1	ZINC000850710979	978637307	/nfs/dbraw/zinc/63/73/07/978637307.db2.gz	LWBPKHUXLADVTN-UHFFFAOYSA-N	1	0	351.491	1.065	20	30		FDEDRO
C#CCCN(CCOC)C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1	ZINC000850724876	978647354	/nfs/dbraw/zinc/64/73/54/978647354.db2.gz	URSVAEJGYLTQBS-UHFFFAOYSA-N	1	0	371.481	1.762	20	30		FDEDRO
C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1	ZINC001202480163	978659982	/nfs/dbraw/zinc/65/99/82/978659982.db2.gz	SPOGZTIPQHULAP-MSOLQXFVSA-N	1	0	363.502	1.703	20	30		FDEDRO
Cn1c(Cl)cnc1-c1csc(NC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)n1	ZINC000850754254	978661358	/nfs/dbraw/zinc/66/13/58/978661358.db2.gz	NBCMHLBFQJLTRD-JGVFFNPUSA-N	1	0	351.823	1.430	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)C1	ZINC000967979783	1014519618	/nfs/dbraw/zinc/51/96/18/1014519618.db2.gz	RKKXFKGFELGTHH-NJAFHUGGSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCS1(=O)=O)C2	ZINC001110629042	978815346	/nfs/dbraw/zinc/81/53/46/978815346.db2.gz	ARZOFRDCYSADAL-JJXSEGSLSA-N	1	0	355.504	1.098	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1CN(C(=O)C2([NH+](C)C)CCC2)C1	ZINC000968001887	1014539488	/nfs/dbraw/zinc/53/94/88/1014539488.db2.gz	XLLINWYQGKLIIX-IRXDYDNUSA-N	1	0	363.502	1.511	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)CCN1C1CC1	ZINC000851673420	978992497	/nfs/dbraw/zinc/99/24/97/978992497.db2.gz	BPHDESRBFYFBBG-QYZOEREBSA-N	1	0	371.460	1.653	20	30		FDEDRO
N#Cc1c(F)cccc1N1CC[NH+](C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000851710394	979009723	/nfs/dbraw/zinc/00/97/23/979009723.db2.gz	LFKPWWXBCAMYMI-FQEVSTJZSA-N	1	0	368.412	1.192	20	30		FDEDRO
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@H+]2CC[C@@H](CF)C2)CC1	ZINC000880299771	979078405	/nfs/dbraw/zinc/07/84/05/979078405.db2.gz	XRPDFXQYGZXVGB-MAUKXSAKSA-N	1	0	362.424	1.826	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC(N(CC)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC000968007962	1014553934	/nfs/dbraw/zinc/55/39/34/1014553934.db2.gz	CGNKRELPNNMBRU-RDTXWAMCSA-N	1	0	354.454	1.076	20	30		FDEDRO
C#CCC1(O)CC[NH+]([C@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)CC1	ZINC000880478997	979219724	/nfs/dbraw/zinc/21/97/24/979219724.db2.gz	JMJKBVADAXMFLU-MRXNPFEDSA-N	1	0	374.481	1.601	20	30		FDEDRO
C#CCC1(O)CC[NH+](CCN(Cc2ccccc2)S(C)(=O)=O)CC1	ZINC000880483626	979224064	/nfs/dbraw/zinc/22/40/64/979224064.db2.gz	HFKKFCMFFBMTHC-UHFFFAOYSA-N	1	0	350.484	1.298	20	30		FDEDRO
C#C[C@](C)(CC)[NH2+]CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852097050	979350328	/nfs/dbraw/zinc/35/03/28/979350328.db2.gz	JUPGVRFZCGPVTB-GOSISDBHSA-N	1	0	366.483	1.478	20	30		FDEDRO
C#C[C@](C)(CC)[NH2+][C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1	ZINC000852100960	979350684	/nfs/dbraw/zinc/35/06/84/979350684.db2.gz	LQOZVDDHOHRWPF-SUMWQHHRSA-N	1	0	351.472	1.655	20	30		FDEDRO
COc1ccc(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1C#N	ZINC000880876153	979507299	/nfs/dbraw/zinc/50/72/99/979507299.db2.gz	PUMWTBLRJYWXLD-UHFFFAOYSA-N	1	0	371.441	1.339	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(CC)C2CN(C(=O)[C@]34C[C@H]3CCC4)C2)CC1	ZINC000968039876	1014602190	/nfs/dbraw/zinc/60/21/90/1014602190.db2.gz	SWDJZJYGRZVUGY-DYESRHJHSA-N	1	0	357.498	1.581	20	30		FDEDRO
N#CCOc1ccccc1C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000882629182	980766175	/nfs/dbraw/zinc/76/61/75/980766175.db2.gz	HBFDIDJTSLNYIV-QGZVFWFLSA-N	1	0	372.469	1.115	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@]2(O)CCc3ccccc32)CC1	ZINC000130935151	981930397	/nfs/dbraw/zinc/93/03/97/981930397.db2.gz	WHBFAYNVCLFMED-HXUWFJFHSA-N	1	0	374.485	1.688	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(Br)c(C#N)n2)C1	ZINC000883087335	981932879	/nfs/dbraw/zinc/93/28/79/981932879.db2.gz	UCEJCHKEIHTKJQ-SNVBAGLBSA-N	1	0	368.235	1.558	20	30		FDEDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1ccc(Br)c(C#N)n1	ZINC000883087795	981933834	/nfs/dbraw/zinc/93/38/34/981933834.db2.gz	JEYSFWYZXLIUMM-JTQLQIEISA-N	1	0	367.251	1.083	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC	ZINC000858540680	982103476	/nfs/dbraw/zinc/10/34/76/982103476.db2.gz	LPDVHIIZDRAIRN-HSALFYBXSA-N	1	0	373.497	1.861	20	30		FDEDRO
C=C(C)C[C@H](CO)[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000883391477	982109584	/nfs/dbraw/zinc/10/95/84/982109584.db2.gz	LKDWIRLEJDSKRH-MRXNPFEDSA-N	1	0	368.499	1.765	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)N[C@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)CC1	ZINC000883420703	982132899	/nfs/dbraw/zinc/13/28/99/982132899.db2.gz	RNDVMLHGEMSZRS-ROUUACIJSA-N	1	0	365.518	1.683	20	30		FDEDRO
CC[N@@H+]1CC[C@@H]1CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000883600864	982298141	/nfs/dbraw/zinc/29/81/41/982298141.db2.gz	LCEWWZFLJAIXLD-SJORKVTESA-N	1	0	355.442	1.447	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)COCc1cc[nH]c(=O)c1	ZINC000858859372	982337318	/nfs/dbraw/zinc/33/73/18/982337318.db2.gz	KCOYLDINLGTENI-UHFFFAOYSA-N	1	0	368.437	1.766	20	30		FDEDRO
COC[C@@](C)(CCO)[NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N	ZINC000132592047	982391228	/nfs/dbraw/zinc/39/12/28/982391228.db2.gz	JPKBWQKOMNCMLH-AUUYWEPGSA-N	1	0	354.410	1.601	20	30		FDEDRO
C=CCn1cc(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)nn1	ZINC000883751826	982439278	/nfs/dbraw/zinc/43/92/78/982439278.db2.gz	XJIUKPWDZIHGOM-UHFFFAOYSA-N	1	0	369.473	1.215	20	30		FDEDRO
C[N@H+](C[C@H](O)COc1ccccc1C#N)[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000859137893	982567054	/nfs/dbraw/zinc/56/70/54/982567054.db2.gz	FNOMFOBZMDBNOW-KBPBESRZSA-N	1	0	371.359	1.393	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1	ZINC000859140179	982570293	/nfs/dbraw/zinc/57/02/93/982570293.db2.gz	ZROLCKPWTXKFHZ-ZWKOTPCHSA-N	1	0	357.454	1.775	20	30		FDEDRO
CC[N@@H+]1CC[C@@H]1CNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000883894194	982595532	/nfs/dbraw/zinc/59/55/32/982595532.db2.gz	ZXDKLVGCCYEHFN-CQSZACIVSA-N	1	0	358.446	1.349	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H](C)O2)CC1	ZINC001202575058	982612963	/nfs/dbraw/zinc/61/29/63/982612963.db2.gz	IAEDKOWOBGPUQD-NVXWUHKLSA-N	1	0	351.491	1.559	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@@H+]2CCCN(c3ncccc3F)CC2)CCOCC1	ZINC000859270460	982664796	/nfs/dbraw/zinc/66/47/96/982664796.db2.gz	CLRYLYAGTJJLQV-MRXNPFEDSA-N	1	0	362.449	1.804	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N(CCc1ccccc1)CC[NH+](C)C	ZINC000800009496	982707206	/nfs/dbraw/zinc/70/72/06/982707206.db2.gz	OJSXOTTUAADQLI-KRWDZBQOSA-N	1	0	366.531	1.819	20	30		FDEDRO
CCN(C[C@H]1COc2ccccc2O1)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884053863	982772644	/nfs/dbraw/zinc/77/26/44/982772644.db2.gz	JJBVLCFGJHMZLP-FZTQNYJHSA-N	1	0	355.438	1.814	20	30		FDEDRO
Cc1ccc(C(=O)NCCNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1F	ZINC000884067852	982814716	/nfs/dbraw/zinc/81/47/16/982814716.db2.gz	UDQLHPSVZLLHAJ-XAUUPUKJSA-N	1	0	358.417	1.120	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCN(C(=O)c3ccc(F)cc3)CC1)C2	ZINC000884072210	982820720	/nfs/dbraw/zinc/82/07/20/982820720.db2.gz	UANZHBHTYIENQF-NGEICVOHSA-N	1	0	370.428	1.249	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCN(C(=O)c3ccc(F)cc3)CC1)C2	ZINC000884072209	982820903	/nfs/dbraw/zinc/82/09/03/982820903.db2.gz	UANZHBHTYIENQF-LFDOHDQPSA-N	1	0	370.428	1.249	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N(C)Cc1ccc(OC(F)(F)F)cc1	ZINC000884076740	982827921	/nfs/dbraw/zinc/82/79/21/982827921.db2.gz	MQNZMZUKAKFZAU-ZDUSSCGKSA-N	1	0	360.332	1.990	20	30		FDEDRO
CCCCNC(=O)c1ccc(CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc1	ZINC000884092925	982855444	/nfs/dbraw/zinc/85/54/44/982855444.db2.gz	UBYWDZVDRPUUPE-WBTXTPOCSA-N	1	0	368.481	1.972	20	30		FDEDRO
C=CCN(C(=O)c1cccc(OCC[NH2+]C)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000884099141	982864279	/nfs/dbraw/zinc/86/42/79/982864279.db2.gz	FQKJXVZYGCKALZ-OAHLLOKOSA-N	1	0	352.456	1.100	20	30		FDEDRO
CCCCCCCNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1	ZINC000859501631	982873115	/nfs/dbraw/zinc/87/31/15/982873115.db2.gz	DMNVCIRVVKXCDK-UHFFFAOYSA-N	1	0	353.507	1.786	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NCc2cccc(CS(C)(=O)=O)c2)C1	ZINC000884109528	982880865	/nfs/dbraw/zinc/88/08/65/982880865.db2.gz	JGLYRMBREXXMRH-QGZVFWFLSA-N	1	0	363.483	1.128	20	30		FDEDRO
CCOc1c(OC)cc(CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc1OC	ZINC000884109767	982880894	/nfs/dbraw/zinc/88/08/94/982880894.db2.gz	QHIOFGBJTUSBEI-CHWWFWEZSA-N	1	0	373.453	1.858	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)c3ccccc13)C2	ZINC001110775229	982928645	/nfs/dbraw/zinc/92/86/45/982928645.db2.gz	DNRVKWJDEATULW-BJZITVGISA-N	1	0	366.465	1.816	20	30		FDEDRO
COCCN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccc(OC)c(OC)c1	ZINC000884153421	982932095	/nfs/dbraw/zinc/93/20/95/982932095.db2.gz	KNJKGBFAOUXNEP-CHWWFWEZSA-N	1	0	373.453	1.823	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@H](c1cccs1)N1CCOCC1)C2	ZINC000884177031	982949314	/nfs/dbraw/zinc/94/93/14/982949314.db2.gz	YKWFBPBWHPDDLU-YJTLQXIOSA-N	1	0	374.510	1.377	20	30		FDEDRO
CCN1C[C@H](CN(C)C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)Oc2ccccc21	ZINC000884181603	982957040	/nfs/dbraw/zinc/95/70/40/982957040.db2.gz	KIJBJCNTFOXBFH-GWWPLSDWSA-N	1	0	368.481	1.872	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(Cn3cncn3)cc1)C2	ZINC000884182464	982958704	/nfs/dbraw/zinc/95/87/04/982958704.db2.gz	KBVOZTGSJRZUEB-TVRKMHQQSA-N	1	0	350.426	1.082	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1	ZINC000331931657	982961435	/nfs/dbraw/zinc/96/14/35/982961435.db2.gz	VSAVTCJVLCECMC-RBUKOAKNSA-N	1	0	368.481	1.839	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1	ZINC000884186151	982962044	/nfs/dbraw/zinc/96/20/44/982962044.db2.gz	RLLLQKOBTWWOHO-KRWDZBQOSA-N	1	0	363.433	1.353	20	30		FDEDRO
Cc1cc(C)n(-c2ccc(CNC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)cn2)n1	ZINC000884187627	982963404	/nfs/dbraw/zinc/96/34/04/982963404.db2.gz	KQIALZXRTTUWID-OHTSDLOESA-N	1	0	364.453	1.640	20	30		FDEDRO
Cc1cc(C)n(-c2ccc(CNC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)cn2)n1	ZINC000884187626	982963577	/nfs/dbraw/zinc/96/35/77/982963577.db2.gz	KQIALZXRTTUWID-GNZRSQJKSA-N	1	0	364.453	1.640	20	30		FDEDRO
CC(C)[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1nnc2ccccn21	ZINC000884208954	982985410	/nfs/dbraw/zinc/98/54/10/982985410.db2.gz	NRJWYYIFJWYGNF-PPKXHPOVSA-N	1	0	352.442	1.682	20	30		FDEDRO
CCn1c(C)cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)c1C	ZINC001110777801	982989180	/nfs/dbraw/zinc/98/91/80/982989180.db2.gz	HUBASECLAYLZAR-OIISXLGYSA-N	1	0	357.458	1.100	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCN(c3ccc(F)cc3F)C1)C2	ZINC000884213888	982991081	/nfs/dbraw/zinc/99/10/81/982991081.db2.gz	NYWJBEDFPIRGAI-NWGJFKLVSA-N	1	0	360.408	1.799	20	30		FDEDRO
CCc1cc(N2CCC(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CC2)ncn1	ZINC000884231062	983005121	/nfs/dbraw/zinc/00/51/21/983005121.db2.gz	IAXMVHNZDNOXGF-CHWWFWEZSA-N	1	0	368.485	1.263	20	30		FDEDRO
Cn1cc([C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c2ccc(F)cc2)cn1	ZINC000884325426	983086703	/nfs/dbraw/zinc/08/67/03/983086703.db2.gz	QJIVDOJWWZNJQC-PFHOKTIXSA-N	1	0	367.428	1.904	20	30		FDEDRO
C[C@H](O)[C@](C)(CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)Cc1ccccc1	ZINC000884327248	983088058	/nfs/dbraw/zinc/08/80/58/983088058.db2.gz	NTYLVHOGMTYRGS-UTNQZAIZSA-N	1	0	355.482	1.872	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccncc1OCC(F)(F)F)C2	ZINC000884332176	983091570	/nfs/dbraw/zinc/09/15/70/983091570.db2.gz	GZICKNGJPWGIGJ-UYJPIKCFSA-N	1	0	368.359	1.778	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCCNC(N)=O)C3)c1	ZINC001110781419	983144573	/nfs/dbraw/zinc/14/45/73/983144573.db2.gz	QIHUGQUMNGYDKA-KURKYZTESA-N	1	0	369.469	1.618	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCn3ncc(Br)c3C1)C2	ZINC000884416568	983145678	/nfs/dbraw/zinc/14/56/78/983145678.db2.gz	GGWWWULTJFSMQX-LOIXOFCESA-N	1	0	364.247	1.127	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)ccc1Cl	ZINC000923687448	983292600	/nfs/dbraw/zinc/29/26/00/983292600.db2.gz	XUJFZNREIFTUAV-CYBMUJFWSA-N	1	0	369.874	1.730	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1	ZINC001588636850	983757243	/nfs/dbraw/zinc/75/72/43/983757243.db2.gz	XCIIGEQHDBISSZ-FQEVSTJZSA-N	1	0	359.470	1.730	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1	ZINC000861544855	983773481	/nfs/dbraw/zinc/77/34/81/983773481.db2.gz	QXZFFYDCHPIJMJ-SFHVURJKSA-N	1	0	355.438	1.224	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1	ZINC000861580587	983784313	/nfs/dbraw/zinc/78/43/13/983784313.db2.gz	PIJPMRHBZQXPCY-IBGZPJMESA-N	1	0	371.481	1.999	20	30		FDEDRO
CCCCCCCNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1	ZINC000861655664	983802976	/nfs/dbraw/zinc/80/29/76/983802976.db2.gz	YONZIHHNPZFZHA-CVEARBPZSA-N	1	0	352.479	1.923	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1	ZINC000861783560	983918547	/nfs/dbraw/zinc/91/85/47/983918547.db2.gz	HLKJWVXPCMVVEF-KZNAEPCWSA-N	1	0	369.490	1.859	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1	ZINC000862092526	984105805	/nfs/dbraw/zinc/10/58/05/984105805.db2.gz	WWRDJHFCKQSIMN-HNNXBMFYSA-N	1	0	374.416	1.800	20	30		FDEDRO
C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1	ZINC001588784997	984179304	/nfs/dbraw/zinc/17/93/04/984179304.db2.gz	DSOLHCPPHNHXPJ-QGZVFWFLSA-N	1	0	360.458	1.515	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1	ZINC000862196683	984235690	/nfs/dbraw/zinc/23/56/90/984235690.db2.gz	SNXSMJHAWWYNTN-GOSISDBHSA-N	1	0	357.454	1.418	20	30		FDEDRO
C=CCNc1ncc(C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)s1	ZINC000653348390	1015041760	/nfs/dbraw/zinc/04/17/60/1015041760.db2.gz	FZIWXLLZKRCDAG-BFHYXJOUSA-N	1	0	350.488	1.521	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N[C@@]1(CO)CCc2cc(Br)ccc2C1	ZINC000862772898	984527975	/nfs/dbraw/zinc/52/79/75/984527975.db2.gz	ZAILKZVLAPQJAO-KRWDZBQOSA-N	1	0	367.287	1.903	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3ccncc3n1)C2	ZINC001110824358	984579267	/nfs/dbraw/zinc/57/92/67/984579267.db2.gz	FFFUTATZVCBVHX-SUMDDJOVSA-N	1	0	350.422	1.615	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(S(=O)(=O)c2ccc(CCC#N)cc2)CC1	ZINC000885027514	985113926	/nfs/dbraw/zinc/11/39/26/985113926.db2.gz	DGWPEKDXMSTWJT-UHFFFAOYSA-N	1	0	365.499	1.610	20	30		FDEDRO
C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(CCC#N)cc1	ZINC000885112285	985186169	/nfs/dbraw/zinc/18/61/69/985186169.db2.gz	MIIDFTQCHWCXAJ-INIZCTEOSA-N	1	0	364.515	1.447	20	30		FDEDRO
C=CCCC[C@H](NC(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1)c1ccccc1	ZINC000885218551	985250264	/nfs/dbraw/zinc/25/02/64/985250264.db2.gz	XRMHVCBEBKSRRZ-NJAFHUGGSA-N	1	0	359.470	1.775	20	30		FDEDRO
C[NH+](C)CCc1ccc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1	ZINC000870212991	985805895	/nfs/dbraw/zinc/80/58/95/985805895.db2.gz	SXIRSRKLNZSAAZ-UHFFFAOYSA-N	1	0	368.441	1.474	20	30		FDEDRO
CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)C[C@H](O)CC2(C#N)CCC2)C1	ZINC000885979618	985816085	/nfs/dbraw/zinc/81/60/85/985816085.db2.gz	IADFVBZBBGODHZ-HZPDHXFCSA-N	1	0	365.474	1.165	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H]([NH2+][C@H]3CCOC4(CCOCC4)C3)C2=O)cc1	ZINC000886089709	985870573	/nfs/dbraw/zinc/87/05/73/985870573.db2.gz	IAQXMIVVFQVFEU-RBUKOAKNSA-N	1	0	369.465	1.977	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)CCC1	ZINC000886202954	985964228	/nfs/dbraw/zinc/96/42/28/985964228.db2.gz	ILBLVAGWUTWBFE-IKGGRYGDSA-N	1	0	365.474	1.801	20	30		FDEDRO
C#CC[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2CN2CCOCC2)C1	ZINC000886355404	986094342	/nfs/dbraw/zinc/09/43/42/986094342.db2.gz	HZOBZPIONLWUNF-GOSISDBHSA-N	1	0	355.482	1.480	20	30		FDEDRO
C#CC[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1	ZINC000886359695	986097440	/nfs/dbraw/zinc/09/74/40/986097440.db2.gz	ILJKZDUEJVYWNK-CABCVRRESA-N	1	0	363.483	1.609	20	30		FDEDRO
CN(C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)[C@H]1CCC[C@@H]1C#N	ZINC000870669122	986216038	/nfs/dbraw/zinc/21/60/38/986216038.db2.gz	OTSAVOMHOMQGAR-ILXRZTDVSA-N	1	0	352.479	1.982	20	30		FDEDRO
C#CCN(C(=O)Cc1sc(-c2ccn(C)n2)nc1C)C1CC[NH+](C)CC1	ZINC000886572213	986370843	/nfs/dbraw/zinc/37/08/43/986370843.db2.gz	CTFHJYFCEDMCAX-UHFFFAOYSA-N	1	0	371.510	1.951	20	30		FDEDRO
C#CCN(C(=O)c1cc(C(=O)OC(C)(C)C)nn1C)C1CC[NH+](C)CC1	ZINC000886572764	986371713	/nfs/dbraw/zinc/37/17/13/986371713.db2.gz	ZCROVLMBZMRIIX-UHFFFAOYSA-N	1	0	360.458	1.545	20	30		FDEDRO
C#CCN(C(=O)c1c[nH]nc1I)C1CC[NH+](C)CC1	ZINC000886573220	986371995	/nfs/dbraw/zinc/37/19/95/986371995.db2.gz	ASRRJXSMALESPO-UHFFFAOYSA-N	1	0	372.210	1.184	20	30		FDEDRO
C#CCN(C(=O)[C@H]1CC(c2cccc(OC)c2)=NO1)C1CC[NH+](C)CC1	ZINC000886577794	986377837	/nfs/dbraw/zinc/37/78/37/986377837.db2.gz	XMHBOGTYKGPCAF-LJQANCHMSA-N	1	0	355.438	1.744	20	30		FDEDRO
C#CCN(C(=O)c1cc(S(N)(=O)=O)cc(C)c1C)C1CC[NH+](C)CC1	ZINC000886580120	986381807	/nfs/dbraw/zinc/38/18/07/986381807.db2.gz	WOLROISXKSNBSV-UHFFFAOYSA-N	1	0	363.483	1.120	20	30		FDEDRO
C#CCN(C(=O)c1nc(N2CCCC2)ncc1Cl)C1CC[NH+](C)CC1	ZINC000886583158	986388394	/nfs/dbraw/zinc/38/83/94/986388394.db2.gz	DLNUKYDQEKHSHX-UHFFFAOYSA-N	1	0	361.877	1.900	20	30		FDEDRO
CC(=O)[C@@](C#N)(CC[NH+]1CCC(O)(COCCO)CC1)c1ccccc1	ZINC000886753899	986551712	/nfs/dbraw/zinc/55/17/12/986551712.db2.gz	YXIMCOBCODTUIL-FQEVSTJZSA-N	1	0	360.454	1.263	20	30		FDEDRO
C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1	ZINC000871089020	986661947	/nfs/dbraw/zinc/66/19/47/986661947.db2.gz	KJIVLVFQAGSVOS-JKSUJKDBSA-N	1	0	358.490	1.621	20	30		FDEDRO
C=C(C)Cn1c(COCC)nnc1N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000871098471	986667139	/nfs/dbraw/zinc/66/71/39/986667139.db2.gz	CSGFEHGFJHSZMA-UHFFFAOYSA-N	1	0	362.522	1.607	20	30		FDEDRO
Cn1ccnc1[C@H]1CNCCN1S(=O)(=O)c1ccc(CCC#N)cc1	ZINC000886886703	986689825	/nfs/dbraw/zinc/68/98/25/986689825.db2.gz	PUJQPJWSAFGEEA-MRXNPFEDSA-N	1	0	359.455	1.211	20	30		FDEDRO
COC[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCCOC1	ZINC000886907518	986725462	/nfs/dbraw/zinc/72/54/62/986725462.db2.gz	DLSGZFWMCPJXFG-RDJZCZTQSA-N	1	0	352.456	1.363	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(C#N)c1	ZINC000871804367	987248338	/nfs/dbraw/zinc/24/83/38/987248338.db2.gz	GMOQDNYAKSIXOU-QGZVFWFLSA-N	1	0	358.467	1.911	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1	ZINC000871804496	987249277	/nfs/dbraw/zinc/24/92/77/987249277.db2.gz	CIYSZEVIQZDZRS-GVDBMIGSSA-N	1	0	363.483	1.774	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1	ZINC000871805640	987250534	/nfs/dbraw/zinc/25/05/34/987250534.db2.gz	NARVPNZLRWZQAD-DLBZAZTESA-N	1	0	363.483	1.774	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1	ZINC000872186772	987487548	/nfs/dbraw/zinc/48/75/48/987487548.db2.gz	NJQGZWCJMBNQJO-ZIAGYGMSSA-N	1	0	368.359	1.112	20	30		FDEDRO
CN(C)S(=O)(=O)c1ccc(N=NC2CCCN3CCSC[C@H]23)cc1	ZINC000872374487	987623411	/nfs/dbraw/zinc/62/34/11/987623411.db2.gz	CDBLGCVZXGJTGH-MRXNPFEDSA-N	1	0	368.528	1.916	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)c(C#N)c1	ZINC000872479019	987704379	/nfs/dbraw/zinc/70/43/79/987704379.db2.gz	GUJTVDHWNMUAPH-HNNXBMFYSA-N	1	0	351.472	1.646	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)c(C#N)c1	ZINC000872479021	987704433	/nfs/dbraw/zinc/70/44/33/987704433.db2.gz	GUJTVDHWNMUAPH-OAHLLOKOSA-N	1	0	351.472	1.646	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1c(C)cccc1C#N	ZINC000872510326	987733497	/nfs/dbraw/zinc/73/34/97/987733497.db2.gz	POLLEMKPYZWWGH-UHFFFAOYSA-N	1	0	365.499	1.846	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)Cn1cc2c(c(C#N)c1=O)CCCC2	ZINC000872634013	987888621	/nfs/dbraw/zinc/88/86/21/987888621.db2.gz	SCEDQOSSPKPCRP-UHFFFAOYSA-N	1	0	372.513	1.846	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCCN(C(=O)c3scnc3C)CC2)CC1	ZINC000360106764	987946967	/nfs/dbraw/zinc/94/69/67/987946967.db2.gz	ATFRYOMTKFLCJD-UHFFFAOYSA-N	1	0	374.510	1.471	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC3(CCC[N@@H+]3C)CC2)CC1	ZINC000360323773	987989424	/nfs/dbraw/zinc/98/94/24/987989424.db2.gz	QTPPXCKJHKCVAZ-GOSISDBHSA-N	1	0	361.534	1.239	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(-c2nccc(C)n2)cc1	ZINC000293422796	988070093	/nfs/dbraw/zinc/07/00/93/988070093.db2.gz	QBXBEYMSHJKLPV-UHFFFAOYSA-N	1	0	365.437	1.462	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)nc1	ZINC000299101947	988122737	/nfs/dbraw/zinc/12/27/37/988122737.db2.gz	XSAFZZJNKBQCBY-IRXDYDNUSA-N	1	0	354.458	1.412	20	30		FDEDRO
C#CCN(CC)C(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1	ZINC000299220961	988244395	/nfs/dbraw/zinc/24/43/95/988244395.db2.gz	ZLXZPZTYLOHUTP-UHFFFAOYSA-N	1	0	368.481	1.639	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C#Cc2cccs2)c1	ZINC000825652304	988522605	/nfs/dbraw/zinc/52/26/05/988522605.db2.gz	DVOXXSZKFSNCRQ-UHFFFAOYSA-N	1	0	355.463	1.707	20	30		FDEDRO
N#C[C@@]1(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)CCc2ccccc2C1	ZINC000361910816	988537792	/nfs/dbraw/zinc/53/77/92/988537792.db2.gz	ZSYQEAOQWJRPMJ-JOCHJYFZSA-N	1	0	366.509	1.925	20	30		FDEDRO
N#CCCn1cc(C[N@@H+]2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)c(-c2ccccc2)n1	ZINC000366486812	988713605	/nfs/dbraw/zinc/71/36/05/988713605.db2.gz	YJQRXIDPQZGWII-IAGOWNOFSA-N	1	0	363.421	1.558	20	30		FDEDRO
N#CCCn1cc(C[N@@H+]2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)c(-c2ccccc2)n1	ZINC000366486803	988713793	/nfs/dbraw/zinc/71/37/93/988713793.db2.gz	YJQRXIDPQZGWII-DLBZAZTESA-N	1	0	363.421	1.558	20	30		FDEDRO
CN(C(=O)Cc1cccc(OCC#N)c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000366855490	988819594	/nfs/dbraw/zinc/81/95/94/988819594.db2.gz	SXRSOTMZUQDRFG-LJQANCHMSA-N	1	0	370.497	1.758	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CC(=O)N(c3cccc(OC)c3)C2)CC1	ZINC000363102878	988921499	/nfs/dbraw/zinc/92/14/99/988921499.db2.gz	XNABXZFRQSUSTF-INIZCTEOSA-N	1	0	355.438	1.262	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1C#N	ZINC000873652931	988937857	/nfs/dbraw/zinc/93/78/57/988937857.db2.gz	VVDCGNSUXITKIW-CQSZACIVSA-N	1	0	372.450	1.986	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1C#N	ZINC000873663258	988954468	/nfs/dbraw/zinc/95/44/68/988954468.db2.gz	GKGFWKINHJLADM-KBPBESRZSA-N	1	0	358.442	1.884	20	30		FDEDRO
C[C@H]1CC[N@H+](Cc2ccccc2)CCN1c1c(C#N)c(=O)n(C)c(=O)n1C	ZINC000363170354	988969908	/nfs/dbraw/zinc/96/99/08/988969908.db2.gz	GUJHKYMFLBLPIM-HNNXBMFYSA-N	1	0	367.453	1.056	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc1C#N	ZINC000873699552	989015240	/nfs/dbraw/zinc/01/52/40/989015240.db2.gz	CSUNHNPBBLNPSZ-MRXNPFEDSA-N	1	0	374.441	1.075	20	30		FDEDRO
Cc1oc(NC(=O)CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(C#N)c1C	ZINC000369264794	989040299	/nfs/dbraw/zinc/04/02/99/989040299.db2.gz	IQMVAKADYZIUIB-KSSFIOAISA-N	1	0	373.501	1.664	20	30		FDEDRO
Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCC(n3cnc(C#N)n3)CC2)c1	ZINC000369731257	989129393	/nfs/dbraw/zinc/12/93/93/989129393.db2.gz	UFLIMXHREOAYJH-KRWDZBQOSA-N	1	0	355.442	1.843	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)NCc1cccc(COCCOCC)c1	ZINC000296375060	989157048	/nfs/dbraw/zinc/15/70/48/989157048.db2.gz	ONMNXHIJKBVRKT-UHFFFAOYSA-N	1	0	361.486	1.994	20	30		FDEDRO
COc1cc(/C=C/C(=O)N[C@H]2CCC[N@H+](CCCO)C2)ccc1OCC#N	ZINC000296412008	989187702	/nfs/dbraw/zinc/18/77/02/989187702.db2.gz	KLMCGXASCWIOOW-JKNJVXJCSA-N	1	0	373.453	1.574	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(C)(C)[NH+](C)C)s1	ZINC000873814117	989245871	/nfs/dbraw/zinc/24/58/71/989245871.db2.gz	IENSRGDNVWUDLE-UHFFFAOYSA-N	1	0	359.517	1.211	20	30		FDEDRO
CON=C(C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)c1csc(N)n1	ZINC000873822079	989257022	/nfs/dbraw/zinc/25/70/22/989257022.db2.gz	YHBBHBHWTZAJQY-UHFFFAOYSA-N	1	0	374.470	1.466	20	30		FDEDRO
C=CCN(C(=O)C(=O)Nc1ccn(C)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000369929148	989314419	/nfs/dbraw/zinc/31/44/19/989314419.db2.gz	GQGPHPTWZDVAFZ-QGZVFWFLSA-N	1	0	367.453	1.648	20	30		FDEDRO
C=CCN(C(=O)C(=O)Nc1ccon1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000369931445	989317627	/nfs/dbraw/zinc/31/76/27/989317627.db2.gz	VVFXBYJPERTUDT-INIZCTEOSA-N	1	0	354.410	1.902	20	30		FDEDRO
N#Cc1cccnc1-n1cc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1	ZINC000369933088	989318832	/nfs/dbraw/zinc/31/88/32/989318832.db2.gz	MFEMODLZQOBJQE-ZBFHGGJFSA-N	1	0	351.414	1.887	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000296688114	989364843	/nfs/dbraw/zinc/36/48/43/989364843.db2.gz	JHLBRTUAHZXJCE-YJBOKZPZSA-N	1	0	373.457	1.938	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1C#N	ZINC000873879711	989379160	/nfs/dbraw/zinc/37/91/60/989379160.db2.gz	MSTOOKQDRGUVRK-XYPWUTKMSA-N	1	0	356.426	1.589	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1C#N	ZINC000873880812	989382715	/nfs/dbraw/zinc/38/27/15/989382715.db2.gz	LLJRYJXDFJPHRV-CZUORRHYSA-N	1	0	356.426	1.591	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1	ZINC000296933760	989450443	/nfs/dbraw/zinc/45/04/43/989450443.db2.gz	PCTQJJFTWMREFC-UXHICEINSA-N	1	0	370.497	1.236	20	30		FDEDRO
N#CCCCOc1cccnc1NC(=O)N[C@H]1CCC[N@@H+](CCCO)C1	ZINC000297000702	989459379	/nfs/dbraw/zinc/45/93/79/989459379.db2.gz	VAAHQPHHISJQQG-HNNXBMFYSA-N	1	0	361.446	1.732	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NC[C@@H](c1ccccc1)N1CCOCC1	ZINC000297390166	989525842	/nfs/dbraw/zinc/52/58/42/989525842.db2.gz	HEDWJZYEXQQEDQ-IBGZPJMESA-N	1	0	358.486	1.314	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1	ZINC000370234984	989576610	/nfs/dbraw/zinc/57/66/10/989576610.db2.gz	BMNDVAOTVNIERP-PMACEKPBSA-N	1	0	370.497	1.873	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCN(C(=O)c2ccc(C)cc2)CC1	ZINC000297613552	989579173	/nfs/dbraw/zinc/57/91/73/989579173.db2.gz	WZBMQCLOLQJKOY-UHFFFAOYSA-N	1	0	356.470	1.418	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)C[N@@H+]1C1CC1	ZINC000364518539	989612739	/nfs/dbraw/zinc/61/27/39/989612739.db2.gz	PZYKUQPFUYYSJL-LSBZLQRGSA-N	1	0	366.465	1.791	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000364533245	989632378	/nfs/dbraw/zinc/63/23/78/989632378.db2.gz	JSWAPEVXUDYKAK-MOPGFXCFSA-N	1	0	368.481	1.992	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)COc1ccc(C#N)cc1	ZINC000364540648	989635770	/nfs/dbraw/zinc/63/57/70/989635770.db2.gz	CTAMXZJCOLNAPZ-LZQZEXGQSA-N	1	0	357.454	1.943	20	30		FDEDRO
C[C@H](C#N)CN(C)C(=O)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000297787097	989690707	/nfs/dbraw/zinc/69/07/07/989690707.db2.gz	QSGNLTCTEGJXJS-SJLPKXTDSA-N	1	0	356.470	1.585	20	30		FDEDRO
C#CCO[C@H](C)c1nc(-c2ccccc2CN2CCC[C@H]2C(N)=O)no1	ZINC000297798248	989699162	/nfs/dbraw/zinc/69/91/62/989699162.db2.gz	QFSZQSQUKWCBBB-CJNGLKHVSA-N	1	0	354.410	1.897	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(-c3cnn(C)c3)nn2C)CC1	ZINC000370528446	989814254	/nfs/dbraw/zinc/81/42/54/989814254.db2.gz	UMYHLSMNZCUEOE-UHFFFAOYSA-N	1	0	357.462	1.983	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1	ZINC000874171784	989864776	/nfs/dbraw/zinc/86/47/76/989864776.db2.gz	FPRBYPWOQTWVNP-BBRMVZONSA-N	1	0	359.401	1.329	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1	ZINC000874175300	989883586	/nfs/dbraw/zinc/88/35/86/989883586.db2.gz	VRGKBDMHMDSNFK-BBRMVZONSA-N	1	0	359.401	1.329	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)OC)CC1	ZINC000298193712	989951565	/nfs/dbraw/zinc/95/15/65/989951565.db2.gz	BPUKRMVIKUDPJB-JQHSSLGASA-N	1	0	364.486	1.866	20	30		FDEDRO
CCc1nc(CN2C[C@@H]3C[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)C[C@@H]3C2)no1	ZINC000370746146	989965002	/nfs/dbraw/zinc/96/50/02/989965002.db2.gz	YSFPPVGACPVWOP-HRCADAONSA-N	1	0	374.489	1.004	20	30		FDEDRO
CON=C(C(=O)N(CC[NH+](C)C)Cc1ccc(C)o1)c1csc(N)n1	ZINC000874246779	989983824	/nfs/dbraw/zinc/98/38/24/989983824.db2.gz	ZHZFCUPWJJRGNB-UHFFFAOYSA-N	1	0	365.459	1.568	20	30		FDEDRO
C[N@H+]1CC=C(CNC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1	ZINC000365086275	990012076	/nfs/dbraw/zinc/01/20/76/990012076.db2.gz	NYNDZFDUEYUBGX-GOSISDBHSA-N	1	0	352.438	1.427	20	30		FDEDRO
CC1([NH+]2CCCCC2)CCN(C(=O)C(=O)Nc2cccc(C#N)n2)CC1	ZINC000874282894	990032670	/nfs/dbraw/zinc/03/26/70/990032670.db2.gz	UFZAXWLOEYWDFL-UHFFFAOYSA-N	1	0	355.442	1.759	20	30		FDEDRO
Cn1cc(CNC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(-c2ccc(C#N)cc2)n1	ZINC000371540475	990512547	/nfs/dbraw/zinc/51/25/47/990512547.db2.gz	YANWNPOREUUOCH-OALUTQOASA-N	1	0	351.454	1.912	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1=O)c1cccc(C#N)c1	ZINC000371582448	990545809	/nfs/dbraw/zinc/54/58/09/990545809.db2.gz	VJOODPBTWOECTJ-QFBILLFUSA-N	1	0	356.470	1.532	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)cc1	ZINC000371664022	990608320	/nfs/dbraw/zinc/60/83/20/990608320.db2.gz	OLVGCFSISHLNCB-PKOBYXMFSA-N	1	0	358.486	1.474	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cn1	ZINC000875093561	990880108	/nfs/dbraw/zinc/88/01/08/990880108.db2.gz	SFSNFTXKUVJLDH-DOTOQJQBSA-N	1	0	354.458	1.412	20	30		FDEDRO
COc1cc(/C=C/C(=O)N2CCN([C@H]3CCOC3)CC2)ccc1OCC#N	ZINC000372111191	990926411	/nfs/dbraw/zinc/92/64/11/990926411.db2.gz	OYSHFMIBEBLXLN-RCFWFJCLSA-N	1	0	371.437	1.544	20	30		FDEDRO
C[N@H+](CCNC(=O)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O)C1CC1	ZINC000372209899	990962212	/nfs/dbraw/zinc/96/22/12/990962212.db2.gz	MOYBRPLSOCRPBN-BFUOFWGJSA-N	1	0	353.426	1.136	20	30		FDEDRO
N#C[C@@H]1CN(C[C@H](O)COc2ccccc2)C[C@]12C(=O)Nc1ccccc12	ZINC000372229703	990972813	/nfs/dbraw/zinc/97/28/13/990972813.db2.gz	YQKCYRWUTAHSTG-XFQAVAEZSA-N	1	0	363.417	1.772	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCSCCC(F)(F)F)CC1	ZINC000875182667	991021933	/nfs/dbraw/zinc/02/19/33/991021933.db2.gz	VDIQVTATYNTXPP-UHFFFAOYSA-N	1	0	367.437	1.555	20	30		FDEDRO
Cn1ccnc1C[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000372384497	991066258	/nfs/dbraw/zinc/06/62/58/991066258.db2.gz	RDGRKMYHUOWUHA-SFHVURJKSA-N	1	0	351.454	1.863	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000875223381	991121690	/nfs/dbraw/zinc/12/16/90/991121690.db2.gz	LPRFXXKCBFBOKT-RTBURBONSA-N	1	0	371.481	1.312	20	30		FDEDRO
C=CCN1CCN(C)C2(CC[NH+](Cc3ccc4nccnc4c3)CC2)C1=O	ZINC001137086723	991186983	/nfs/dbraw/zinc/18/69/83/991186983.db2.gz	HGAFJJUZIWZYEG-UHFFFAOYSA-N	1	0	365.481	1.924	20	30		FDEDRO
CCCCCCCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000875250844	991194377	/nfs/dbraw/zinc/19/43/77/991194377.db2.gz	FNKJQLACHRFUSJ-MRXNPFEDSA-N	1	0	353.507	1.690	20	30		FDEDRO
CCC1([NH+](C)C)CCN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CC1	ZINC000875266887	991225229	/nfs/dbraw/zinc/22/52/29/991225229.db2.gz	CTHOFPXIPUPZJI-FOCLMDBBSA-N	1	0	363.462	1.029	20	30		FDEDRO
C=CCN1CC[C@H](N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(CC)ccn2)C3)C1=O	ZINC001095457681	991230582	/nfs/dbraw/zinc/23/05/82/991230582.db2.gz	PRYGRNADLQVEAY-NEPXVJNWSA-N	1	0	368.481	1.766	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)ccc1F	ZINC000372578417	991237585	/nfs/dbraw/zinc/23/75/85/991237585.db2.gz	MIZRKGBELKKUDE-GUYCJALGSA-N	1	0	374.416	1.253	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+](Cc2ccccc2)[C@H](C)CN2CCOCC2)C1=O	ZINC000410365637	991266533	/nfs/dbraw/zinc/26/65/33/991266533.db2.gz	FCWWWOYOKYZYBS-UYAOXDASSA-N	1	0	357.498	1.996	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1	ZINC000875350778	991373843	/nfs/dbraw/zinc/37/38/43/991373843.db2.gz	QTZYPGJKWAWPFJ-GHTZIAJQSA-N	1	0	371.481	1.169	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@@H]2CCO[C@H]2C2CC2)CC1	ZINC000372809549	991551196	/nfs/dbraw/zinc/55/11/96/991551196.db2.gz	YXIBYIZGCUDYQL-MDZRGWNJSA-N	1	0	374.510	1.614	20	30		FDEDRO
C[NH+](C)CCOCCNC(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1	ZINC000875524185	991698368	/nfs/dbraw/zinc/69/83/68/991698368.db2.gz	RUEAODWTBZCITL-UHFFFAOYSA-N	1	0	356.430	1.503	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)Cc2ccc(C#N)cc2)C[C@H]1C	ZINC000410736915	991749722	/nfs/dbraw/zinc/74/97/22/991749722.db2.gz	PWXXWXCAVBBMID-QAPCUYQASA-N	1	0	356.470	1.848	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)NCCC1CC[NH+](C(C)C)CC1	ZINC000875597772	991783969	/nfs/dbraw/zinc/78/39/69/991783969.db2.gz	MOHKNMFHDPEAIE-QGZVFWFLSA-N	1	0	351.491	1.158	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)[C@@H]2C1	ZINC000373301129	992144756	/nfs/dbraw/zinc/14/47/56/992144756.db2.gz	FOPJXWMMLRYSNB-RHSMWYFYSA-N	1	0	368.416	2.441	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N(C)C1CC[NH+](CC(=O)N2CCCC2)CC1	ZINC000373436934	992220001	/nfs/dbraw/zinc/22/00/01/992220001.db2.gz	XTYWSEFCTQFBON-HXUWFJFHSA-N	1	0	365.518	1.760	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)c1	ZINC000373798045	992448608	/nfs/dbraw/zinc/44/86/08/992448608.db2.gz	CPYUUBBENIPVDJ-MRXNPFEDSA-N	1	0	351.410	1.157	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1)C(C)C	ZINC000374086396	992596397	/nfs/dbraw/zinc/59/63/97/992596397.db2.gz	ZDSXNXYBPUOSJJ-INIZCTEOSA-N	1	0	358.442	1.267	20	30		FDEDRO
CC(C)(C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)c1ccc(C#N)cc1	ZINC000876512729	992677156	/nfs/dbraw/zinc/67/71/56/992677156.db2.gz	WPZCMRIGBXZZLO-KRWDZBQOSA-N	1	0	368.481	1.506	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccccc2OCC)CC1	ZINC000876585429	992720796	/nfs/dbraw/zinc/72/07/96/992720796.db2.gz	LGKVZGQHUJBZCT-OAHLLOKOSA-N	1	0	365.861	1.840	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccccc2OCC)CC1	ZINC000876585428	992721139	/nfs/dbraw/zinc/72/11/39/992721139.db2.gz	LGKVZGQHUJBZCT-HNNXBMFYSA-N	1	0	365.861	1.840	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(C)c(OC)c2)CC1	ZINC000876607260	992738272	/nfs/dbraw/zinc/73/82/72/992738272.db2.gz	KKEZTRWVPBGALE-OAHLLOKOSA-N	1	0	365.861	1.758	20	30		FDEDRO
N#CC1(NC(=O)C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)CCCCC1	ZINC000411983519	992752492	/nfs/dbraw/zinc/75/24/92/992752492.db2.gz	QEWWXVBLTLCIFS-DLBZAZTESA-N	1	0	354.454	1.530	20	30		FDEDRO
COCCCNC(=O)C1CC[NH+](Cc2cc(C#N)ccc2N(C)C)CC1	ZINC000876629485	992755064	/nfs/dbraw/zinc/75/50/64/992755064.db2.gz	HBFDKSVHPADVPW-UHFFFAOYSA-N	1	0	358.486	1.989	20	30		FDEDRO
C=CCc1cc(CNC(=O)[C@@]2(COC)C[NH2+]CCO2)cc(OC)c1OC	ZINC000876634682	992760192	/nfs/dbraw/zinc/76/01/92/992760192.db2.gz	YNRIDDPWMSBPLA-IBGZPJMESA-N	1	0	364.442	1.054	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)COc2ccc(C)cc2)CC1	ZINC000876636039	992760525	/nfs/dbraw/zinc/76/05/25/992760525.db2.gz	PSVJLWNDFRROIF-MRXNPFEDSA-N	1	0	365.861	1.515	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCN(c2ccccc2O)CC1	ZINC000876707692	992812941	/nfs/dbraw/zinc/81/29/41/992812941.db2.gz	OSCJFXWPUNMMSZ-FQEVSTJZSA-N	1	0	362.433	1.799	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1	ZINC000876714387	992821201	/nfs/dbraw/zinc/82/12/01/992821201.db2.gz	XBQFLWWGIJSUKM-HNNXBMFYSA-N	1	0	356.898	1.003	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1	ZINC000876737808	992854894	/nfs/dbraw/zinc/85/48/94/992854894.db2.gz	VISXHOBBUJTHGJ-CQSZACIVSA-N	1	0	357.863	1.330	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)[C@@H]3[NH2+]CCc4cc(C#N)ccc43)CC2)n1	ZINC000876772985	992896434	/nfs/dbraw/zinc/89/64/34/992896434.db2.gz	KSFLLSJTAFZRJS-MRXNPFEDSA-N	1	0	368.466	1.254	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCN(Cc2cc(OC)cc(OC)c2)C1	ZINC000876775720	992899769	/nfs/dbraw/zinc/89/97/69/992899769.db2.gz	DURIYYBHIQEWKG-PBHICJAKSA-N	1	0	367.877	1.864	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1	ZINC000876895731	992955937	/nfs/dbraw/zinc/95/59/37/992955937.db2.gz	JZYSNGNKTCPDCL-CQSZACIVSA-N	1	0	355.797	1.707	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCc1nnc(C2CC2)n1C1CC1	ZINC000876904956	992961209	/nfs/dbraw/zinc/96/12/09/992961209.db2.gz	AVZYCZJEPPZPMV-SFHVURJKSA-N	1	0	362.437	1.865	20	30		FDEDRO
C[C@H]([C@H]1CN(Cc2ccccc2)CCO1)[N@H+](C)CCC(=O)N(C)CCC#N	ZINC000374907092	992966441	/nfs/dbraw/zinc/96/64/41/992966441.db2.gz	CHFRUCIFWROZBQ-UYAOXDASSA-N	1	0	372.513	1.970	20	30		FDEDRO
N#Cc1cnc(Cl)c(C[NH2+]C[C@]2(N3CCOCC3)CCSC2)c1	ZINC000876963047	992986336	/nfs/dbraw/zinc/98/63/36/992986336.db2.gz	YQTHBIMDASKVEJ-MRXNPFEDSA-N	1	0	352.891	1.904	20	30		FDEDRO
Cn1ncc(C(F)(F)F)c1CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000876991915	992997795	/nfs/dbraw/zinc/99/77/95/992997795.db2.gz	INCSBQDJBVLDBP-HNNXBMFYSA-N	1	0	363.343	1.814	20	30		FDEDRO
N#Cc1cccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)n1	ZINC000877028595	993018952	/nfs/dbraw/zinc/01/89/52/993018952.db2.gz	AQDMRFRZUDHFJY-UHFFFAOYSA-N	1	0	362.377	1.604	20	30		FDEDRO
C=C(Cl)C[C@H](NC(=O)c1nnn(C2CC[NH2+]CC2)c1C)C(=O)OCC	ZINC000877144448	993068638	/nfs/dbraw/zinc/06/86/38/993068638.db2.gz	MZDUPRWPBXUESR-ZDUSSCGKSA-N	1	0	369.853	1.315	20	30		FDEDRO
C=C(Cl)C[C@@H](NC(=O)c1nnn(C2CC[NH2+]CC2)c1C)C(=O)OCC	ZINC000877144447	993069095	/nfs/dbraw/zinc/06/90/95/993069095.db2.gz	MZDUPRWPBXUESR-CYBMUJFWSA-N	1	0	369.853	1.315	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(CC[N@@H+]2CCCOCC2)CC1	ZINC000375332792	993077693	/nfs/dbraw/zinc/07/76/93/993077693.db2.gz	DERDWOAKCLAXMC-LJQANCHMSA-N	1	0	366.550	1.139	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@@H]3COC[C@@H](C(=O)N4CCCC4)[C@@H]3C2)cc1	ZINC001137116439	993079658	/nfs/dbraw/zinc/07/96/58/993079658.db2.gz	DVFGHLMDXLNWGA-MISYRCLQSA-N	1	0	369.465	1.906	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1nnn([C@H]3CC[NH2+]C3)c1C(F)F)C2	ZINC000877267189	993164925	/nfs/dbraw/zinc/16/49/25/993164925.db2.gz	ZJRGAIUQMFUBAQ-KBPBESRZSA-N	1	0	372.379	1.519	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1	ZINC000877356452	993242043	/nfs/dbraw/zinc/24/20/43/993242043.db2.gz	NYNBBBVUYIZUPG-NWDGAFQWSA-N	1	0	357.332	1.541	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1	ZINC000877356454	993242436	/nfs/dbraw/zinc/24/24/36/993242436.db2.gz	NYNBBBVUYIZUPG-VXGBXAGGSA-N	1	0	357.332	1.541	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1	ZINC000964985026	1015769819	/nfs/dbraw/zinc/76/98/19/1015769819.db2.gz	BNBLPYPEDXYTKD-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCC1=O	ZINC001095534858	993291984	/nfs/dbraw/zinc/29/19/84/993291984.db2.gz	KTFIXFXXASUQBL-IKGGRYGDSA-N	1	0	356.470	1.632	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC000968862036	1015774084	/nfs/dbraw/zinc/77/40/84/1015774084.db2.gz	ASUUMEGJFSZERX-DMRZNYOFSA-N	1	0	355.442	1.042	20	30		FDEDRO
CCc1nnc(NC2CC[NH+](CCC(=O)N(C)C)CC2)c(C#N)c1CC	ZINC000467797703	993373760	/nfs/dbraw/zinc/37/37/60/993373760.db2.gz	KAXNMUWMAQTUCX-UHFFFAOYSA-N	1	0	358.490	1.828	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1cnn(CC)c1	ZINC001095556575	993448486	/nfs/dbraw/zinc/44/84/86/993448486.db2.gz	ZWRPUVPTUCWJQH-FYQPLNBISA-N	1	0	369.513	1.265	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc2n(n1)CCCO2	ZINC000468757891	993637231	/nfs/dbraw/zinc/63/72/31/993637231.db2.gz	AIBNEHQBLZXZCV-UHFFFAOYSA-N	1	0	353.426	1.741	20	30		FDEDRO
C[C@@H](Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)NC1(C#N)CCC1	ZINC000468774713	993647266	/nfs/dbraw/zinc/64/72/66/993647266.db2.gz	AVCDXJUZSXKPRW-MRXNPFEDSA-N	1	0	356.470	1.924	20	30		FDEDRO
COCCO[C@@H]1C[C@H](CO)C[N@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C1	ZINC000878522600	993996673	/nfs/dbraw/zinc/99/66/73/993996673.db2.gz	PKOOIKWRMIYUNA-CEWLAPEOSA-N	1	0	374.481	1.773	20	30		FDEDRO
C=CCNC(=O)CN1CCN(C(=O)NCCC[NH+](C(C)C)C(C)C)CC1	ZINC000470496070	994038425	/nfs/dbraw/zinc/03/84/25/994038425.db2.gz	KCCHHZASCSKBTQ-UHFFFAOYSA-N	1	0	367.538	1.125	20	30		FDEDRO
C=C(C)C[N@@H+](CCn1cnc2c1c(=O)n(C)c(=O)n2C)Cc1ccccc1	ZINC000470914606	994187251	/nfs/dbraw/zinc/18/72/51/994187251.db2.gz	CGXWBQFSORPBNZ-UHFFFAOYSA-N	1	0	367.453	1.512	20	30		FDEDRO
C[C@@H]1C[NH+](CCN2CCN(C(=O)OC(C)(C)C)CC2)C[C@@H](C)N1CC#N	ZINC000878772847	994215568	/nfs/dbraw/zinc/21/55/68/994215568.db2.gz	SLHBWCJLXCIGIW-IAGOWNOFSA-N	1	0	365.522	1.457	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)N[C@H]1CCC[N@@H+]3CCSC[C@@H]13)C2	ZINC000923942984	994285267	/nfs/dbraw/zinc/28/52/67/994285267.db2.gz	PXXWGKFCUOXWAE-SQNIBIBYSA-N	1	0	356.495	1.904	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@H]2CC2N=NC(=O)N2C)CC1	ZINC000924178561	994451657	/nfs/dbraw/zinc/45/16/57/994451657.db2.gz	RGIVMOMBJWLVDN-HOCLYGCPSA-N	1	0	374.489	1.019	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CCc3c(CC(N)=O)cccc3C2)cc1	ZINC000879227737	994666547	/nfs/dbraw/zinc/66/65/47/994666547.db2.gz	LHOCHRHJCFPZAB-GOSISDBHSA-N	1	0	365.433	1.384	20	30		FDEDRO
CN(C)c1cc[nH+]c(CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1	ZINC000924652216	994913336	/nfs/dbraw/zinc/91/33/36/994913336.db2.gz	DOYPLKWQHWXAQB-UHFFFAOYSA-N	1	0	365.441	1.446	20	30		FDEDRO
CC(C)(C)OC(=O)NC[C@](C)(O)C[NH+]1CCN(c2ccc(C#N)cc2)CC1	ZINC000879586222	995051086	/nfs/dbraw/zinc/05/10/86/995051086.db2.gz	IBOYODNJJJNXGJ-FQEVSTJZSA-N	1	0	374.485	1.956	20	30		FDEDRO
COc1cc(C#N)ccc1OCCN1CCC([NH+]2CCN(C)CC2)CC1	ZINC000879592267	995061020	/nfs/dbraw/zinc/06/10/20/995061020.db2.gz	GJTNZDNUQDUAPZ-UHFFFAOYSA-N	1	0	358.486	1.657	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)n1	ZINC000925164876	995354873	/nfs/dbraw/zinc/35/48/73/995354873.db2.gz	XJTWLPNFTNQFEU-IAGOWNOFSA-N	1	0	361.515	1.628	20	30		FDEDRO
C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12	ZINC000925174683	995372809	/nfs/dbraw/zinc/37/28/09/995372809.db2.gz	DNDLLFZTJSQPEB-GJZGRUSLSA-N	1	0	367.515	1.553	20	30		FDEDRO
C#CCC1(NC(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CCOCC1	ZINC000925428810	995590567	/nfs/dbraw/zinc/59/05/67/995590567.db2.gz	MZELQFLLRWEZAG-DLBZAZTESA-N	1	0	361.486	1.008	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2[C@@H]1CCN2CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000880138248	995674132	/nfs/dbraw/zinc/67/41/32/995674132.db2.gz	TVEHMPLYGTWFRA-ROUUACIJSA-N	1	0	364.453	1.851	20	30		FDEDRO
CCN1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1=O	ZINC000925962036	995858192	/nfs/dbraw/zinc/85/81/92/995858192.db2.gz	KQWNKKXQXIUTRW-GOSISDBHSA-N	1	0	371.485	1.642	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1	ZINC000926306046	996043885	/nfs/dbraw/zinc/04/38/85/996043885.db2.gz	IELBSXCNMRKVSZ-CRAIPNDOSA-N	1	0	356.470	1.740	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]CC2)CC1	ZINC000926358016	996083483	/nfs/dbraw/zinc/08/34/83/996083483.db2.gz	LKKJVPLHGMPYBQ-INIZCTEOSA-N	1	0	351.491	1.276	20	30		FDEDRO
C[N@H+](Cc1ccccc1)C1(CNC(=O)N2CCO[C@@H](C#N)C2)CCOCC1	ZINC000926785159	996301836	/nfs/dbraw/zinc/30/18/36/996301836.db2.gz	IVBMAANTOPGYTB-SFHVURJKSA-N	1	0	372.469	1.602	20	30		FDEDRO
C[C@@H]([NH2+]CCNc1ccc(C#N)cn1)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000927164440	996474590	/nfs/dbraw/zinc/47/45/90/996474590.db2.gz	JTFMORDTJISGIE-CQSZACIVSA-N	1	0	373.482	1.966	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1cnn(C)n1)C2	ZINC000965423537	1016059564	/nfs/dbraw/zinc/05/95/64/1016059564.db2.gz	DSUZSHZPIXFMQV-FQLGJLQJSA-N	1	0	359.474	1.313	20	30		FDEDRO
C#CCC1([NH2+]Cc2nnc3n2c2ccc(C)cc2c(=O)n3C)CCOCC1	ZINC000887123623	996954477	/nfs/dbraw/zinc/95/44/77/996954477.db2.gz	XDPVRWTUKVWELL-UHFFFAOYSA-N	1	0	365.437	1.552	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)NCC(=O)Nc2ccccc2CC)CCOCC1	ZINC000887125780	996955089	/nfs/dbraw/zinc/95/50/89/996955089.db2.gz	JBDRCMHMBRPPOH-UHFFFAOYSA-N	1	0	357.454	1.466	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)NCc2ccc(OCCOC)cc2)CCOCC1	ZINC000887124608	996955486	/nfs/dbraw/zinc/95/54/86/996955486.db2.gz	LQVVNWYOLJVJBX-UHFFFAOYSA-N	1	0	360.454	1.490	20	30		FDEDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000282976631	997049641	/nfs/dbraw/zinc/04/96/41/997049641.db2.gz	JYTSGJIIWXBBMU-ZDUSSCGKSA-N	1	0	371.363	1.824	20	30		FDEDRO
CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)N[C@@H]3CC[C@H](C#N)C3)CC2)C1	ZINC000333421720	997215117	/nfs/dbraw/zinc/21/51/17/997215117.db2.gz	RUUAAYZZXAGZRT-RCCFBDPRSA-N	1	0	363.506	1.115	20	30		FDEDRO
COc1cc(CNC(=[NH2+])N2CCC(C)CC2)ccc1OCC(=O)N(C)C	ZINC000264086975	997399261	/nfs/dbraw/zinc/39/92/61/997399261.db2.gz	JTYQQRJYMBELIW-UHFFFAOYSA-N	1	0	362.474	1.709	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NC[C@H](O)c2ccccc2OC)cc1OC	ZINC000264090146	997401031	/nfs/dbraw/zinc/40/10/31/997401031.db2.gz	KVBGMUYXZCYZAD-INIZCTEOSA-N	1	0	373.453	1.893	20	30		FDEDRO
COc1ccccc1CNC(=[NH2+])NC[C@@H](O)COc1ccc2c(c1)OCO2	ZINC000264098573	997401190	/nfs/dbraw/zinc/40/11/90/997401190.db2.gz	NEQKGZUXWAABIH-CQSZACIVSA-N	1	0	373.409	1.268	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCc2cn3ccccc3n2)cc1OC	ZINC000264118352	997405453	/nfs/dbraw/zinc/40/54/53/997405453.db2.gz	QHPCZHWKLCIGSZ-UHFFFAOYSA-N	1	0	353.426	1.999	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc3c2OCCO3)CC1	ZINC000264355137	997476662	/nfs/dbraw/zinc/47/66/62/997476662.db2.gz	GKGDFQCYNBETAV-UHFFFAOYSA-N	1	0	359.426	1.553	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)/C=C/c3ccc(OCC#N)cc3)C2)CC1	ZINC000264444998	997512749	/nfs/dbraw/zinc/51/27/49/997512749.db2.gz	OPPIDOVVIPYZFC-MTCRFPMVSA-N	1	0	368.481	1.841	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cnn3c2[nH]c(=O)c2ccccc23)CC1	ZINC000264464111	997519456	/nfs/dbraw/zinc/51/94/56/997519456.db2.gz	HADBYAOWFSGPFN-UHFFFAOYSA-N	1	0	351.410	1.556	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Cn2c(C)nc3ccccc3c2=O)CC1	ZINC000264477285	997522016	/nfs/dbraw/zinc/52/20/16/997522016.db2.gz	KMDHYHPDFFNDNG-UHFFFAOYSA-N	1	0	354.454	1.862	20	30		FDEDRO
N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CCO1	ZINC000264497558	997525057	/nfs/dbraw/zinc/52/50/57/997525057.db2.gz	XMHMLYXMIHRMRF-SFHVURJKSA-N	1	0	370.453	1.404	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)CC1	ZINC000264983169	997666987	/nfs/dbraw/zinc/66/69/87/997666987.db2.gz	JEFMQMNXBRBOQM-UHFFFAOYSA-N	1	0	373.457	1.064	20	30		FDEDRO
C[N@H+](CCCNC(=O)CCNC(=O)C1N=CC=CC1=O)Cc1ccccc1	ZINC000265076298	997690859	/nfs/dbraw/zinc/69/08/59/997690859.db2.gz	VWAGNUIWTUXYDB-VXPUYCOJSA-N	1	0	370.453	1.541	20	30		FDEDRO
C#CCC1(NC(=O)NCCCC[NH+]2CCN(CC)CC2)CCOCC1	ZINC000887719543	997695864	/nfs/dbraw/zinc/69/58/64/997695864.db2.gz	RKQVKRLCIPDLCV-UHFFFAOYSA-N	1	0	350.507	1.276	20	30		FDEDRO
O=C(N1CCC2(CC1)CC(=O)C=CO2)[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000887778160	997777647	/nfs/dbraw/zinc/77/76/47/997777647.db2.gz	UMHCFGSHVBIVGE-NRFANRHFSA-N	1	0	370.449	1.488	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)NCCC[NH+]2CCC(O)CC2)c1	ZINC000265416913	997783713	/nfs/dbraw/zinc/78/37/13/997783713.db2.gz	HHUGQPPUHSTPKA-UHFFFAOYSA-N	1	0	361.442	1.153	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)c(F)c1	ZINC000283036564	997846301	/nfs/dbraw/zinc/84/63/01/997846301.db2.gz	UUTGIBOSJQSBKE-UHFFFAOYSA-N	1	0	361.392	1.875	20	30		FDEDRO
N#Cc1ccc(NC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)nc1	ZINC000889219806	998227384	/nfs/dbraw/zinc/22/73/84/998227384.db2.gz	ZRLLPEZGVHNFPN-UHFFFAOYSA-N	1	0	364.453	1.893	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NCc2ccc(N3CCNC3=O)cc2)C1	ZINC000889652273	998501780	/nfs/dbraw/zinc/50/17/80/998501780.db2.gz	RUZKMWSQEVAOJI-INIZCTEOSA-N	1	0	355.442	1.113	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(CC#N)n1)C1CCCCC1	ZINC000889793761	998663955	/nfs/dbraw/zinc/66/39/55/998663955.db2.gz	QJHPWWATWCJMPW-INIZCTEOSA-N	1	0	357.458	1.713	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)n1	ZINC000889963067	998749792	/nfs/dbraw/zinc/74/97/92/998749792.db2.gz	RIAOKUUGVMVCNF-OAHLLOKOSA-N	1	0	355.442	1.421	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000889992548	998761715	/nfs/dbraw/zinc/76/17/15/998761715.db2.gz	SFBDIZFCWIXFGY-IBGZPJMESA-N	1	0	373.497	1.477	20	30		FDEDRO
CC1([NH+]2CCCCC2)CCN(C(=O)C(=O)Nc2cccc(CC#N)n2)CC1	ZINC000890437683	998943376	/nfs/dbraw/zinc/94/33/76/998943376.db2.gz	LWDJTWFBSWTKMP-UHFFFAOYSA-N	1	0	369.469	1.953	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCC1=O	ZINC001110863730	999072922	/nfs/dbraw/zinc/07/29/22/999072922.db2.gz	UOQCKSLCOLEHDL-PDOICOKGSA-N	1	0	363.502	1.559	20	30		FDEDRO
N#CCOc1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1	ZINC000266792530	999235119	/nfs/dbraw/zinc/23/51/19/999235119.db2.gz	WZYUGAOUHJPUGU-INIZCTEOSA-N	1	0	370.453	1.862	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCc3cn4ccccc4n3)=[NH+]C[C@@H]2C1	ZINC000268073894	999424053	/nfs/dbraw/zinc/42/40/53/999424053.db2.gz	LNEQMGWAGKPSNE-OAHLLOKOSA-N	1	0	370.457	1.715	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1	ZINC000269045679	999462756	/nfs/dbraw/zinc/46/27/56/999462756.db2.gz	YHVWGUIMFLPRPI-RHSMWYFYSA-N	1	0	373.428	1.719	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCc3ccc(C#N)cc32)CC1=O	ZINC000270147352	999519148	/nfs/dbraw/zinc/51/91/48/999519148.db2.gz	AAOOOWCUYNRASJ-ZWKOTPCHSA-N	1	0	366.465	1.780	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccnn2Cc2ccccc2)CC1	ZINC000270441331	999559277	/nfs/dbraw/zinc/55/92/77/999559277.db2.gz	ODZSOUXPIRNFKC-UHFFFAOYSA-N	1	0	367.453	1.637	20	30		FDEDRO
C[N@@H+]1CC[C@@H](NC(=O)CCNC(=O)C2N=CC=CC2=O)[C@@H]1c1ccccc1	ZINC000270658083	999594020	/nfs/dbraw/zinc/59/40/20/999594020.db2.gz	NVXMKEFIKAZJGB-QWNPEKBMSA-N	1	0	368.437	1.465	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1c2c(nn1C)CCC2)C(C)C	ZINC000270674782	999597191	/nfs/dbraw/zinc/59/71/91/999597191.db2.gz	RANCXFCZIRXTDL-KRWDZBQOSA-N	1	0	373.501	1.662	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)N1CCCN(c2ccccc2C#N)CC1	ZINC000270983317	999644698	/nfs/dbraw/zinc/64/46/98/999644698.db2.gz	VVSWJWWJXAAWQV-QGZVFWFLSA-N	1	0	356.470	1.565	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)nn1CCC#N	ZINC000270983703	999645015	/nfs/dbraw/zinc/64/50/15/999645015.db2.gz	CBOLDCQJKDKQEL-INIZCTEOSA-N	1	0	374.489	1.670	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCCCC[N@H+]2CCCC[C@H]2C)nn1CCC#N	ZINC000270994458	999646561	/nfs/dbraw/zinc/64/65/61/999646561.db2.gz	FOAIWOCVMJTARV-OAHLLOKOSA-N	1	0	374.489	1.815	20	30		FDEDRO
CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)Cc1ccc(OC)c(C#N)c1	ZINC000273858411	999729895	/nfs/dbraw/zinc/72/98/95/999729895.db2.gz	NCYCGVHSKAZVMO-MRXNPFEDSA-N	1	0	360.458	1.549	20	30		FDEDRO
C=C(C)Cn1c(CC(C)C)nnc1N1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000283304462	999748163	/nfs/dbraw/zinc/74/81/63/999748163.db2.gz	PGWJLZPLQJVPII-UHFFFAOYSA-N	1	0	362.522	1.653	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000283304332	999748198	/nfs/dbraw/zinc/74/81/98/999748198.db2.gz	FAZFKRAELZWVSO-OTWHNJEPSA-N	1	0	371.481	1.475	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1	ZINC000284028316	999773465	/nfs/dbraw/zinc/77/34/65/999773465.db2.gz	IZSZGXCFZJBORB-IBGZPJMESA-N	1	0	372.513	1.516	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)NCc1ccncc1C)C(C)C	ZINC000284040407	999775487	/nfs/dbraw/zinc/77/54/87/999775487.db2.gz	MDEQIXWDYYZSME-SFHVURJKSA-N	1	0	358.486	1.821	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)NCc1cccc(CN2CCOCC2)c1	ZINC000284314408	999804839	/nfs/dbraw/zinc/80/48/39/999804839.db2.gz	VBLLQVGGIRUGNG-UHFFFAOYSA-N	1	0	359.470	1.560	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000284331284	999808741	/nfs/dbraw/zinc/80/87/41/999808741.db2.gz	OVZBITDUDMLVPB-MOPGFXCFSA-N	1	0	366.465	1.816	20	30		FDEDRO
N#CCCCCNC(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1	ZINC000284514074	999845550	/nfs/dbraw/zinc/84/55/50/999845550.db2.gz	QUCOXNAZWVCOEG-UHFFFAOYSA-N	1	0	356.470	1.620	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NCc1ccccc1C[NH+](CC)CC	ZINC000284657346	999862240	/nfs/dbraw/zinc/86/22/40/999862240.db2.gz	KMHKOKRTWQBXCI-UHFFFAOYSA-N	1	0	361.486	1.854	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)CN2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)c1C	ZINC000284918698	999882440	/nfs/dbraw/zinc/88/24/40/999882440.db2.gz	SZXWRBQWTSLNBC-VQTJNVASSA-N	1	0	370.497	1.955	20	30		FDEDRO
CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)C1(C#N)CCOCC1	ZINC000286209140	999942852	/nfs/dbraw/zinc/94/28/52/999942852.db2.gz	SDODTCAJVMUXHF-UHFFFAOYSA-N	1	0	370.497	1.583	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(CCC)Cc2ccccc2O)CC1	ZINC000286385083	999944176	/nfs/dbraw/zinc/94/41/76/999944176.db2.gz	DAMOHSMZOMMOFY-UHFFFAOYSA-N	1	0	359.470	1.897	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)Cc2ccc(OC)cc2)CC1	ZINC000286664352	999945945	/nfs/dbraw/zinc/94/59/45/999945945.db2.gz	OASMHDOHBHQJDR-INIZCTEOSA-N	1	0	373.497	1.757	20	30		FDEDRO
C=CCCCCNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1	ZINC000288205447	999996715	/nfs/dbraw/zinc/99/67/15/999996715.db2.gz	TVNRUJHKEASZRU-SFHVURJKSA-N	1	0	359.470	1.342	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)n1	ZINC000288229226	999998917	/nfs/dbraw/zinc/99/89/17/999998917.db2.gz	RTSHAIZSSRBGCR-CQSZACIVSA-N	1	0	373.486	1.423	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(S(=O)(=O)Cc3ccc(C#N)cc3)CC2)c1	ZINC000288340526	1000009599	/nfs/dbraw/zinc/00/95/99/1000009599.db2.gz	MEZDOAMAWIJTHM-UHFFFAOYSA-N	1	0	372.450	1.614	20	30		FDEDRO
C=CCCCNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000288590301	1000029813	/nfs/dbraw/zinc/02/98/13/1000029813.db2.gz	MUFCYEZUPQFUEK-SFHVURJKSA-N	1	0	359.470	1.476	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C	ZINC000289147460	1000077402	/nfs/dbraw/zinc/07/74/02/1000077402.db2.gz	MSBXVCJXNQCLTE-DNVCBOLYSA-N	1	0	366.465	1.672	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000289404408	1000096734	/nfs/dbraw/zinc/09/67/34/1000096734.db2.gz	NQLMTRGTGQYNEQ-HKUYNNGSSA-N	1	0	373.497	1.722	20	30		FDEDRO
Cc1cccn2c(=O)cc(C[N@@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)nc12	ZINC000292152938	1000215121	/nfs/dbraw/zinc/21/51/21/1000215121.db2.gz	KJNHNFYSCOIOTM-QGZVFWFLSA-N	1	0	361.405	1.923	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C(N)=O)[C@H](C)c2ccccc2)CC1	ZINC000292260805	1000224532	/nfs/dbraw/zinc/22/45/32/1000224532.db2.gz	KWSUHILULFFFCF-CRAIPNDOSA-N	1	0	358.486	1.984	20	30		FDEDRO
N#CCCOCCN1CCN(CC(=O)N2CCCc3ccccc32)CC1	ZINC000292711723	1000249661	/nfs/dbraw/zinc/24/96/61/1000249661.db2.gz	FCCRTMJTTUEKSG-UHFFFAOYSA-N	1	0	356.470	1.514	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCOC1CCOCC1	ZINC000927497194	1000866590	/nfs/dbraw/zinc/86/65/90/1000866590.db2.gz	ZHJJKICLVUYMFW-UHFFFAOYSA-N	1	0	374.485	1.827	20	30		FDEDRO
N#C[C@H]1CCCN(C(=O)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1	ZINC000927856581	1001130397	/nfs/dbraw/zinc/13/03/97/1001130397.db2.gz	BHNLFCYJFXDJHA-SNVBAGLBSA-N	1	0	354.332	1.865	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]nc1[C@H]1CCCO1)C2	ZINC001110937808	1001290408	/nfs/dbraw/zinc/29/04/08/1001290408.db2.gz	KENYLIWVJHGKJY-MXASKKJJSA-N	1	0	360.458	1.799	20	30		FDEDRO
C[N@@H+]1CC[C@@H]1CNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000928568022	1001576175	/nfs/dbraw/zinc/57/61/75/1001576175.db2.gz	CUQAWGBIWLQWHR-CQSZACIVSA-N	1	0	369.425	1.843	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccc(NCc3nccn3C)cc2)CC1	ZINC000928648171	1001606397	/nfs/dbraw/zinc/60/63/97/1001606397.db2.gz	LDRSDZOAOBHOPL-UHFFFAOYSA-N	1	0	351.454	1.860	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H](C)[C@@H](O)CN(C)C(=O)OC(C)(C)C)CC1	ZINC000928648514	1001606541	/nfs/dbraw/zinc/60/65/41/1001606541.db2.gz	MIOORBCSMJGFHW-HOCLYGCPSA-N	1	0	367.490	1.064	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2nnn(-c3ccc(F)c(F)c3)c2C)CC1	ZINC000928649038	1001607360	/nfs/dbraw/zinc/60/73/60/1001607360.db2.gz	FZSNBGPUZWRNGT-UHFFFAOYSA-N	1	0	359.380	1.681	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccnc(CNC(=O)OC(C)(C)C)c2)CC1	ZINC000928654029	1001610607	/nfs/dbraw/zinc/61/06/07/1001610607.db2.gz	KNTQEKNZUASMSS-UHFFFAOYSA-N	1	0	372.469	1.934	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)CC1	ZINC000928654864	1001611219	/nfs/dbraw/zinc/61/12/19/1001611219.db2.gz	GIVIQNBLMVREAP-UHFFFAOYSA-N	1	0	367.405	1.940	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C2(OCc3ccccc3)CCOCC2)CC1	ZINC000928655234	1001611386	/nfs/dbraw/zinc/61/13/86/1001611386.db2.gz	SFXHBULHYKLRRH-UHFFFAOYSA-N	1	0	356.466	1.966	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2nnn(-c3cccc4ncccc43)c2C)CC1	ZINC000928655641	1001611659	/nfs/dbraw/zinc/61/16/59/1001611659.db2.gz	VLIXIZRVRORGAU-UHFFFAOYSA-N	1	0	374.448	1.951	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCN(CC(F)F)CC1)C2	ZINC001110947152	1001611940	/nfs/dbraw/zinc/61/19/40/1001611940.db2.gz	AKGGNGMZAVIPOX-ZACQAIPSSA-N	1	0	371.472	1.888	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C[C@H]2c3ccccc3CCN2C(C)=O)CC1	ZINC000928658367	1001614030	/nfs/dbraw/zinc/61/40/30/1001614030.db2.gz	HOJCTSGJVFLLHJ-FQEVSTJZSA-N	1	0	353.466	1.736	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)CC1	ZINC000928659310	1001615305	/nfs/dbraw/zinc/61/53/05/1001615305.db2.gz	KUBOQPQORSLEJO-IBGZPJMESA-N	1	0	355.463	1.829	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C2(C(=O)OC(C)(C)C)CCOCC2)CC1	ZINC000928661493	1001616053	/nfs/dbraw/zinc/61/60/53/1001616053.db2.gz	VNSYXKQBEVVUGN-UHFFFAOYSA-N	1	0	350.459	1.339	20	30		FDEDRO
C[N@H+](CC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1)[C@H]1CCSC1	ZINC000928718394	1001635389	/nfs/dbraw/zinc/63/53/89/1001635389.db2.gz	AKYXFVCHVVZWQI-CVEARBPZSA-N	1	0	359.499	1.793	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H](C)c1cccc(OC)c1)C1CC[NH+](C)CC1	ZINC000929322381	1001934305	/nfs/dbraw/zinc/93/43/05/1001934305.db2.gz	IYGNEINRVBKDPO-HNNXBMFYSA-N	1	0	357.454	1.428	20	30		FDEDRO
CC1([NH+]2CCC2)CCC(NC(=O)C(=O)NCc2cccc(C#N)c2)CC1	ZINC000929380056	1001982986	/nfs/dbraw/zinc/98/29/86/1001982986.db2.gz	LCKAZOMZSOKZMI-UHFFFAOYSA-N	1	0	354.454	1.698	20	30		FDEDRO
C#CCOc1cccc(Cl)c1CN1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000779162053	1002117367	/nfs/dbraw/zinc/11/73/67/1002117367.db2.gz	RYSZAEYBHDDQRO-UHFFFAOYSA-N	1	0	363.889	1.948	20	30		FDEDRO
Cc1cn(C(C)(C)C(=O)N[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)cn1	ZINC000948205091	1002175254	/nfs/dbraw/zinc/17/52/54/1002175254.db2.gz	ADDNGZBXPJLNJY-MLGOLLRUSA-N	1	0	368.441	1.403	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC000948207259	1002178752	/nfs/dbraw/zinc/17/87/52/1002178752.db2.gz	LOMPHIDAWFJJGN-XYPHTWIQSA-N	1	0	357.458	1.337	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1C#N	ZINC000929696030	1002356609	/nfs/dbraw/zinc/35/66/09/1002356609.db2.gz	UDYMFWRZNDBFOQ-HOCLYGCPSA-N	1	0	356.470	1.720	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1	ZINC000948475530	1002381656	/nfs/dbraw/zinc/38/16/56/1002381656.db2.gz	OQGHERXHTWYQLG-KURKYZTESA-N	1	0	363.502	1.558	20	30		FDEDRO
CC(C)(C)NS(=O)(=O)C1([C@@H](O)CN(CCC#N)CC2CC2)CCC1	ZINC000929775762	1002426667	/nfs/dbraw/zinc/42/66/67/1002426667.db2.gz	TUFOURKQPFXHRZ-HNNXBMFYSA-N	1	0	357.520	1.614	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F	ZINC000929887537	1002562998	/nfs/dbraw/zinc/56/29/98/1002562998.db2.gz	RPQONMHDTXVXRS-UHFFFAOYSA-N	1	0	368.434	1.052	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CC(=O)N(C)C2CC2)CC1	ZINC000948785223	1002689111	/nfs/dbraw/zinc/68/91/11/1002689111.db2.gz	DGUCXLHESNOUNX-JQHSSLGASA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CC(=O)N(C)C)CC1	ZINC000948836876	1002745694	/nfs/dbraw/zinc/74/56/94/1002745694.db2.gz	QUQFOUSXGGRBNC-LNLFQRSKSA-N	1	0	365.518	1.759	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CCC[N@H+](CC(=O)N2CCC2)CC1	ZINC000948848382	1002755942	/nfs/dbraw/zinc/75/59/42/1002755942.db2.gz	AZFIWMIPUGGDPX-LNLFQRSKSA-N	1	0	363.502	1.513	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3cc[nH]c3CC)C[C@H]2C)CC1	ZINC000948876304	1002785270	/nfs/dbraw/zinc/78/52/70/1002785270.db2.gz	XSLMYTFKUWLGAZ-DNVCBOLYSA-N	1	0	370.497	1.499	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H](CC=C)c1ccncc1)C1CC[NH+](C)CC1	ZINC000930121938	1002841822	/nfs/dbraw/zinc/84/18/22/1002841822.db2.gz	KXGNQSXKMBTKGC-GOSISDBHSA-N	1	0	354.454	1.371	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(CNC(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000949000520	1002917070	/nfs/dbraw/zinc/91/70/70/1002917070.db2.gz	FDBOVDKGPVOFCD-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC(CNC(=O)c3c[nH]c(C#N)c3)CC2)CC[N@@H+]1C	ZINC000949011187	1002930234	/nfs/dbraw/zinc/93/02/34/1002930234.db2.gz	SOSWABWCWHTVRK-ZWKOTPCHSA-N	1	0	371.485	1.585	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)Nc2ccc(OCCC(=O)NC)cc2)C1	ZINC000930237880	1002956589	/nfs/dbraw/zinc/95/65/89/1002956589.db2.gz	YCIZXKMXJUOTJQ-MRXNPFEDSA-N	1	0	358.442	1.421	20	30		FDEDRO
C[C@H](CCNC(=O)C(=O)N(C)Cc1cc(C#N)cs1)[NH+]1CCCCC1	ZINC000930249738	1002969339	/nfs/dbraw/zinc/96/93/39/1002969339.db2.gz	IMCFFRGJIUHTHC-CQSZACIVSA-N	1	0	362.499	1.959	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)N(C)C	ZINC001110984585	1002974778	/nfs/dbraw/zinc/97/47/78/1002974778.db2.gz	IYBGCJIWENSNIU-XLMAVXFVSA-N	1	0	371.547	1.592	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)Nc1ccc(C(=O)N(C)C)cc1OCC	ZINC000930269485	1002985828	/nfs/dbraw/zinc/98/58/28/1002985828.db2.gz	UPKVKEJKCIJTSM-UHFFFAOYSA-N	1	0	360.458	1.864	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)CCO2	ZINC000949123409	1003015176	/nfs/dbraw/zinc/01/51/76/1003015176.db2.gz	AZMUGCFHIUIKCP-QZTJIDSGSA-N	1	0	365.518	1.365	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCCc1ccc(F)cc1C)C1CC[NH+](C)CC1	ZINC000930331885	1003028558	/nfs/dbraw/zinc/02/85/58/1003028558.db2.gz	CFHIPMFSKYADKK-UHFFFAOYSA-N	1	0	359.445	1.349	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2C)cc1	ZINC000949313924	1003217995	/nfs/dbraw/zinc/21/79/95/1003217995.db2.gz	RPDVFRVPKJTOOJ-CDHQVMDDSA-N	1	0	365.477	1.586	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc3ccccc3n1)C2	ZINC001111288626	1003335744	/nfs/dbraw/zinc/33/57/44/1003335744.db2.gz	ALCNXGIQLDHIDH-QRQLOZEOSA-N	1	0	354.454	1.960	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c1	ZINC000949454311	1003361497	/nfs/dbraw/zinc/36/14/97/1003361497.db2.gz	FAJOZXIFWDWCIQ-DNVCBOLYSA-N	1	0	368.481	1.372	20	30		FDEDRO
N#CC[C@]1(O)CC[N@H+](C[C@@]2(O)CCCN(C(=O)OCc3ccccc3)C2)C1	ZINC000930819440	1003544995	/nfs/dbraw/zinc/54/49/95/1003544995.db2.gz	WHRNQMAHDCENQE-PMACEKPBSA-N	1	0	373.453	1.501	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCC[C@@]1(C)C[C@]1(F)Cl)C1CC[NH+](C)CC1	ZINC000930938593	1003682204	/nfs/dbraw/zinc/68/22/04/1003682204.db2.gz	PQDCRYCANUDMBF-DLBZAZTESA-N	1	0	357.857	1.363	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccc(C(=O)OC)cc2N(C)C)CC1	ZINC000931062948	1003834652	/nfs/dbraw/zinc/83/46/52/1003834652.db2.gz	CGVLJBMSPKJPDE-UHFFFAOYSA-N	1	0	358.442	1.758	20	30		FDEDRO
C#CC1(O)CC[NH+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC1	ZINC000931141863	1003920881	/nfs/dbraw/zinc/92/08/81/1003920881.db2.gz	IQMSRZJCYNEAKG-UHFFFAOYSA-N	1	0	355.438	1.602	20	30		FDEDRO
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC([N@@H+]2CCCOCC2)CC1	ZINC000931283444	1004024739	/nfs/dbraw/zinc/02/47/39/1004024739.db2.gz	BRNKZPNUOIVQCH-LJQANCHMSA-N	1	0	357.454	1.959	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC([N@@H+]2CCCOCC2)CC1	ZINC000931293372	1004033108	/nfs/dbraw/zinc/03/31/08/1004033108.db2.gz	YNBQQPCRPXVQFU-QGZVFWFLSA-N	1	0	362.518	1.904	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)NCc1cc(C#N)ccc1F)[N@@H+]1CCC[C@@H](C)C1	ZINC000931593253	1004295940	/nfs/dbraw/zinc/29/59/40/1004295940.db2.gz	VUJSKYABJMSJJO-KGLIPLIRSA-N	1	0	360.433	1.550	20	30		FDEDRO
CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCc1cc(C#N)ccc1F	ZINC000931594202	1004298015	/nfs/dbraw/zinc/29/80/15/1004298015.db2.gz	IWTUIHKNWPGZEA-INIZCTEOSA-N	1	0	360.433	1.646	20	30		FDEDRO
C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCc1cc(C#N)ccc1F	ZINC000931594957	1004298777	/nfs/dbraw/zinc/29/87/77/1004298777.db2.gz	AQTVDJLRMWKKSV-ZDUSSCGKSA-N	1	0	360.433	1.502	20	30		FDEDRO
CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NCc2cc(C#N)ccc2F)CC1	ZINC000931600277	1004304331	/nfs/dbraw/zinc/30/43/31/1004304331.db2.gz	YVDCRYHOYJIOQJ-UHFFFAOYSA-N	1	0	372.444	1.790	20	30		FDEDRO
CN(C)c1cc[nH+]c(CNC(=O)C(=O)N(C)Cc2cc(C#N)cs2)c1	ZINC000931612405	1004318078	/nfs/dbraw/zinc/31/80/78/1004318078.db2.gz	GYUWGORLMREROZ-UHFFFAOYSA-N	1	0	357.439	1.356	20	30		FDEDRO
N#Cc1ncn(CC[NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)n1	ZINC000796498841	1016869171	/nfs/dbraw/zinc/86/91/71/1016869171.db2.gz	YHGSWGBEKJNWFP-UHFFFAOYSA-N	1	0	354.414	1.541	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Nc1nc2cc(Br)ccn2n1	ZINC000931648792	1004367253	/nfs/dbraw/zinc/36/72/53/1004367253.db2.gz	SSFKYYKPMHMQPU-UHFFFAOYSA-N	1	0	365.235	1.568	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccc(CS(=O)(=O)CC)cc2)CC1	ZINC000931704068	1004430030	/nfs/dbraw/zinc/43/00/30/1004430030.db2.gz	MFCUGHQBPBTZSL-UHFFFAOYSA-N	1	0	363.483	1.840	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(C(=O)Nc3nc(Cl)c(C#N)s3)CC2)C1	ZINC000931725114	1004447765	/nfs/dbraw/zinc/44/77/65/1004447765.db2.gz	PCWHZTUTRJLXKX-LLVKDONJSA-N	1	0	368.894	1.912	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N[C@H]2CCCN3CCSC[C@H]23)cc1C#N	ZINC000931821097	1004516953	/nfs/dbraw/zinc/51/69/53/1004516953.db2.gz	AZNGZJKRXDXEPG-DLBZAZTESA-N	1	0	372.494	1.179	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)N[C@H](CC[NH+](C)C)c1cccnc1	ZINC000932042682	1004728534	/nfs/dbraw/zinc/72/85/34/1004728534.db2.gz	QQSJFXUFNXUTHO-CYBMUJFWSA-N	1	0	369.263	1.215	20	30		FDEDRO
Cn1ccc([C@H]2CCCN(CCS(=O)(=O)c3ccc(C#N)cc3)C2)n1	ZINC000932135495	1004786476	/nfs/dbraw/zinc/78/64/76/1004786476.db2.gz	LGYPNVHDPQXNBW-INIZCTEOSA-N	1	0	358.467	1.945	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1C#N	ZINC000932473633	1004976987	/nfs/dbraw/zinc/97/69/87/1004976987.db2.gz	QJCKSUKSEYIRBJ-GDBMZVCRSA-N	1	0	356.470	1.720	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C#N	ZINC000932474602	1004977591	/nfs/dbraw/zinc/97/75/91/1004977591.db2.gz	YFMCLEPCTVWLEN-IYBDPMFKSA-N	1	0	372.469	1.098	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1C#N	ZINC000932476040	1004978760	/nfs/dbraw/zinc/97/87/60/1004978760.db2.gz	ZQOKFROXUGTJQL-HNNXBMFYSA-N	1	0	356.470	1.721	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1C#N	ZINC000932478444	1004980789	/nfs/dbraw/zinc/98/07/89/1004980789.db2.gz	IFEBESAYWAYAON-FUHWJXTLSA-N	1	0	354.454	1.426	20	30		FDEDRO
C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C	ZINC000932525818	1005000335	/nfs/dbraw/zinc/00/03/35/1005000335.db2.gz	HGYNBDAOLUHCAX-HZPDHXFCSA-N	1	0	368.522	1.598	20	30		FDEDRO
COc1cc(C#N)ccc1C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000932578340	1005022426	/nfs/dbraw/zinc/02/24/26/1005022426.db2.gz	XBHGESGJMXKWNN-KRWDZBQOSA-N	1	0	356.470	1.807	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](CCNC(=O)OC(C)(C)C)C1	ZINC000932704756	1005111794	/nfs/dbraw/zinc/11/17/94/1005111794.db2.gz	XGAJFVCCHNVWJY-LSDHHAIUSA-N	1	0	352.479	1.984	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H]1CCCc2cccnc21)C1CC[NH+](C)CC1	ZINC000932755605	1005149265	/nfs/dbraw/zinc/14/92/65/1005149265.db2.gz	ZTGUACMGHPNTIC-KRWDZBQOSA-N	1	0	354.454	1.131	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1cn[nH]c1	ZINC000778142732	1005253025	/nfs/dbraw/zinc/25/30/25/1005253025.db2.gz	SZYBHFYPMSDTEF-KBXCAEBGSA-N	1	0	370.432	1.608	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCC(C)(C)C1CCOCC1)C1CC[NH+](C)CC1	ZINC000933318145	1005538989	/nfs/dbraw/zinc/53/89/89/1005538989.db2.gz	BLOBAJGLZKIOQW-UHFFFAOYSA-N	1	0	363.502	1.111	20	30		FDEDRO
COC(=O)C1([C@@]2(O)CCC[N@H+](C[C@H](O)CC3(C#N)CCC3)C2)CCC1	ZINC000933832589	1005643453	/nfs/dbraw/zinc/64/34/53/1005643453.db2.gz	JYLMMKWAOCPEDW-DNVCBOLYSA-N	1	0	350.459	1.601	20	30		FDEDRO
CO[C@@H]1CC[C@H]1[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000934119110	1005695867	/nfs/dbraw/zinc/69/58/67/1005695867.db2.gz	VUEJDRJZIYLUQX-GUDVDZBRSA-N	1	0	374.460	1.644	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[NH2+][C@@H]1CCOC12CCOCC2	ZINC000934400079	1005740459	/nfs/dbraw/zinc/74/04/59/1005740459.db2.gz	SIGHIUSJYHSSBX-QGZVFWFLSA-N	1	0	354.406	1.214	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH+]1CCC(CN=[S@](C)(=O)N(C)C)CC1	ZINC000934760136	1005795254	/nfs/dbraw/zinc/79/52/54/1005795254.db2.gz	YFXGBHLBPUHJLH-DEOSSOPVSA-N	1	0	356.536	1.473	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3ccccn3)c1)C2	ZINC001111081182	1005809636	/nfs/dbraw/zinc/80/96/36/1005809636.db2.gz	KKPRPUORLVMFFL-KURKYZTESA-N	1	0	367.453	1.805	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COC[C@H]2CCOC2)C3)c1	ZINC001111090247	1005870052	/nfs/dbraw/zinc/87/00/52/1005870052.db2.gz	FBJKZSAUYSBEQU-NMLBUPMWSA-N	1	0	369.465	1.833	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COC[C@@H]2CCOC2)C3)c1	ZINC001111090248	1005870125	/nfs/dbraw/zinc/87/01/25/1005870125.db2.gz	FBJKZSAUYSBEQU-WTGUMLROSA-N	1	0	369.465	1.833	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)c1cccnc1)C2	ZINC001111102475	1005952831	/nfs/dbraw/zinc/95/28/31/1005952831.db2.gz	FHAQTUOIGRTAKL-HPBDAGMYSA-N	1	0	356.470	1.599	20	30		FDEDRO
C[N@@H+]1CC[C@@]2(CCN(CC(=O)[C@@H](C#N)c3nc4ccccc4c(=O)[nH]3)C2)C1	ZINC000795312662	1006043678	/nfs/dbraw/zinc/04/36/78/1006043678.db2.gz	XQIRQGXCWKVORD-FOIQADDNSA-N	1	0	365.437	1.539	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CCCCCC)C2	ZINC001111161497	1006542121	/nfs/dbraw/zinc/54/21/21/1006542121.db2.gz	MYWBKSLPVHKWLF-KURKYZTESA-N	1	0	364.534	1.522	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1	ZINC000954268096	1006582631	/nfs/dbraw/zinc/58/26/31/1006582631.db2.gz	BOYAXSXJRZUOHI-KURKYZTESA-N	1	0	363.502	1.510	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)C=CC(=O)Nc2ccc3n[nH]cc3c2)CC1	ZINC000778722078	1006709673	/nfs/dbraw/zinc/70/96/73/1006709673.db2.gz	RKFZNZUPLCGHLR-PLNGDYQASA-N	1	0	352.398	1.162	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000954416894	1006764570	/nfs/dbraw/zinc/76/45/70/1006764570.db2.gz	QRRYDDYYXXQCFN-DLBZAZTESA-N	1	0	358.486	1.687	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CCCC(=O)N2)C3)cc1	ZINC001095730685	1006782085	/nfs/dbraw/zinc/78/20/85/1006782085.db2.gz	RMZSLWILTGVHQI-RDGPPVDQSA-N	1	0	366.465	1.839	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3ccc(F)cc3)C[C@H]2C)CC1	ZINC000947172180	1006793905	/nfs/dbraw/zinc/79/39/05/1006793905.db2.gz	WFJUPRIXHXBSLB-DNVCBOLYSA-N	1	0	371.456	1.748	20	30		FDEDRO
C=CCOc1ccc(C(=O)N(C)C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000954714820	1006976825	/nfs/dbraw/zinc/97/68/25/1006976825.db2.gz	RQDGNQIMTZTUSU-DNVCBOLYSA-N	1	0	371.481	1.874	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC000954788581	1007025724	/nfs/dbraw/zinc/02/57/24/1007025724.db2.gz	UTXZEUWSIMENFO-DDBAPUKQSA-N	1	0	363.502	1.367	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)c2c[nH+]ccc2N(C)C)C1	ZINC000954846013	1007054824	/nfs/dbraw/zinc/05/48/24/1007054824.db2.gz	GCJPRNRPHSCSQH-PBHICJAKSA-N	1	0	358.442	1.022	20	30		FDEDRO
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CCC(=O)N(C)CCC#N)C1	ZINC000778979567	1007096597	/nfs/dbraw/zinc/09/65/97/1007096597.db2.gz	WJXNXQQGYATVPZ-LSDHHAIUSA-N	1	0	352.479	1.984	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000641672068	1007104247	/nfs/dbraw/zinc/10/42/47/1007104247.db2.gz	ZPSDZRKFHADHLD-KRWDZBQOSA-N	1	0	374.485	1.173	20	30		FDEDRO
C=CCC[C@@H](CO)[NH2+]Cc1c[nH]nc1CN1C(=O)c2ccccc2C1=O	ZINC000641760315	1007134502	/nfs/dbraw/zinc/13/45/02/1007134502.db2.gz	PIXQDGFPATUNCS-AWEZNQCLSA-N	1	0	354.410	1.623	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@H]1CC	ZINC001114600298	1007300927	/nfs/dbraw/zinc/30/09/27/1007300927.db2.gz	UIIQGYFBDLSTNN-GJGATLCTSA-N	1	0	361.486	1.049	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C#N)c[nH]2)C1	ZINC001007262939	1007384637	/nfs/dbraw/zinc/38/46/37/1007384637.db2.gz	DLPGJLPEYSWQIX-UVFQYZLESA-N	1	0	369.469	1.482	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)c2occc2C[NH+](C)C)C1	ZINC000955366285	1007391956	/nfs/dbraw/zinc/39/19/56/1007391956.db2.gz	OXRQXCBIRKKRJG-CVEARBPZSA-N	1	0	361.442	1.215	20	30		FDEDRO
CNC(=O)CC1CC[NH+](Cn2c(C)nnc2-c2cccc(C#N)c2)CC1	ZINC000074723381	1007490974	/nfs/dbraw/zinc/49/09/74/1007490974.db2.gz	CDVVUAUNDOURNA-UHFFFAOYSA-N	1	0	352.442	1.931	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C[C@@H]3C=CCC3)C[C@H]2C)CC1	ZINC000947428026	1007579891	/nfs/dbraw/zinc/57/98/91/1007579891.db2.gz	ZFATTYTVROFFRY-ZHALLVOQSA-N	1	0	357.498	1.651	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@]2(C)CCN(C(=O)[C@@H]3C[C@H]3CCC)C2)CC1	ZINC000957069825	1007646107	/nfs/dbraw/zinc/64/61/07/1007646107.db2.gz	HUZFIYQRQTZERG-DBXWQHBBSA-N	1	0	359.514	1.875	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1	ZINC000956385904	1008076426	/nfs/dbraw/zinc/07/64/26/1008076426.db2.gz	UMRJGDFGYXOITH-ZACQAIPSSA-N	1	0	363.502	1.417	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1	ZINC000949951900	1008556775	/nfs/dbraw/zinc/55/67/75/1008556775.db2.gz	VYIXBCADOHJWCE-FHLIZLRMSA-N	1	0	371.485	1.726	20	30		FDEDRO
C#CC[NH2+]CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1	ZINC000779327576	1008588584	/nfs/dbraw/zinc/58/85/84/1008588584.db2.gz	JZDJXSVLJCVCIY-CQSZACIVSA-N	1	0	351.472	1.117	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000646416139	1008747327	/nfs/dbraw/zinc/74/73/27/1008747327.db2.gz	WRLZEFOIGUEQMR-BBWFWOEESA-N	1	0	353.507	1.661	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)cc1OC	ZINC000649079147	1008903631	/nfs/dbraw/zinc/90/36/31/1008903631.db2.gz	XMAYKXYJNGWBAG-AWEZNQCLSA-N	1	0	361.442	1.452	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C3(C(C)C)CC3)C[C@H]2C)CC1	ZINC000958658636	1008913478	/nfs/dbraw/zinc/91/34/78/1008913478.db2.gz	KNQLYJHDVROTBW-SJLPKXTDSA-N	1	0	359.514	1.731	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)C(C)(C)[NH+]1CCCC1	ZINC000950235300	1008924536	/nfs/dbraw/zinc/92/45/36/1008924536.db2.gz	NODQAAIPYKYQPA-ZACQAIPSSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccc2c[nH+]cn2c1	ZINC000950235639	1008925991	/nfs/dbraw/zinc/92/59/91/1008925991.db2.gz	WYWNJWGBUZNCLP-KSZLIROESA-N	1	0	368.437	1.646	20	30		FDEDRO
C=CCN1CC[C@@H](N2CC(N(CC)C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1=O	ZINC000950367896	1009081464	/nfs/dbraw/zinc/08/14/64/1009081464.db2.gz	QSJSFOULVFIRDR-RCCFBDPRSA-N	1	0	362.518	1.036	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccnc(OC)c3)C[C@H]21	ZINC000959944074	1009174069	/nfs/dbraw/zinc/17/40/69/1009174069.db2.gz	GKEBRXVMLCPNQM-GJGATLCTSA-N	1	0	357.454	1.618	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCc3cnn(CC)c3)C[C@H]21	ZINC000959948774	1009185603	/nfs/dbraw/zinc/18/56/03/1009185603.db2.gz	VNBJTNGKVNZESS-GFEQUFNTSA-N	1	0	358.486	1.473	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(CC#Cc4ccc(F)cc4)C[C@H]32)CC[N@@H+]1C	ZINC000959973935	1009237420	/nfs/dbraw/zinc/23/74/20/1009237420.db2.gz	OFPXMEXZCOXRRZ-SBUWESJJSA-N	1	0	355.457	1.564	20	30		FDEDRO
CN1C(=O)CC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1	ZINC001095906577	1009240096	/nfs/dbraw/zinc/24/00/96/1009240096.db2.gz	CDKCBWKJYCPNPX-VSZNYVQBSA-N	1	0	352.438	1.401	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC000960034333	1009359009	/nfs/dbraw/zinc/35/90/09/1009359009.db2.gz	ZOQKQRVSULLOKT-ZQIUZPCESA-N	1	0	363.483	1.894	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1	ZINC000950648622	1009468771	/nfs/dbraw/zinc/46/87/71/1009468771.db2.gz	VATQFEOHINDWME-SSZIBAPDSA-N	1	0	369.509	1.339	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1	ZINC001006460100	1009489647	/nfs/dbraw/zinc/48/96/47/1009489647.db2.gz	YOSCAJHQCKWYJA-OIISXLGYSA-N	1	0	361.486	1.027	20	30		FDEDRO
Cc1cc(NC2CC[NH+](CCNC(=O)[C@H]3OCC[C@H]3C)CC2)c(C#N)cn1	ZINC001111323606	1009613225	/nfs/dbraw/zinc/61/32/25/1009613225.db2.gz	LSIIDQWAPKSILE-KUHUBIRLSA-N	1	0	371.485	1.101	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1ccc(OC)c(OC(F)F)c1	ZINC000303868879	1009644571	/nfs/dbraw/zinc/64/45/71/1009644571.db2.gz	AOCMHNZSLOBKME-UHFFFAOYSA-N	1	0	372.416	1.294	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCn2cccn2)CCOCC1	ZINC001111330759	1009671357	/nfs/dbraw/zinc/67/13/57/1009671357.db2.gz	SHILQTGGKOBBGF-KURKYZTESA-N	1	0	358.486	1.978	20	30		FDEDRO
Cc1cc(C#N)nc(NC2CC[NH+](CCNC(=O)[C@]34C[C@H]3CCC4)CC2)n1	ZINC001111332276	1009682303	/nfs/dbraw/zinc/68/23/03/1009682303.db2.gz	YBSJURJZFJMPGR-FOIQADDNSA-N	1	0	368.485	1.839	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCNC(=O)CC2)C3)c1	ZINC001095818271	1009905325	/nfs/dbraw/zinc/90/53/25/1009905325.db2.gz	RXYITHZYYVCZJQ-RDGPPVDQSA-N	1	0	366.465	1.696	20	30		FDEDRO
CC[NH+]=C(NCCc1nnc2ccccn21)N1CCN(CC(C)C)CC1	ZINC000304131603	1009933032	/nfs/dbraw/zinc/93/30/32/1009933032.db2.gz	WIIIBFQUBLKHOM-UHFFFAOYSA-N	1	0	357.506	1.511	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccncc2CC)C[C@H]1C	ZINC000950872069	1009972836	/nfs/dbraw/zinc/97/28/36/1009972836.db2.gz	GQZYOZVUAVOOKN-LZQZEXGQSA-N	1	0	368.481	1.318	20	30		FDEDRO
CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(OC)c(C#N)c3)C[C@H]21	ZINC000960369588	1010051194	/nfs/dbraw/zinc/05/11/94/1010051194.db2.gz	XZIKHQRRWDTCDX-QMALUCSJSA-N	1	0	369.465	1.928	20	30		FDEDRO
C=CCn1cc(C(=O)Nc2cccc(C(=O)NCC[NH+](CC)CC)c2)nn1	ZINC000648245720	1010319078	/nfs/dbraw/zinc/31/90/78/1010319078.db2.gz	STIVZJAFEOZRMJ-UHFFFAOYSA-N	1	0	370.457	1.788	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1	ZINC000951109062	1010461798	/nfs/dbraw/zinc/46/17/98/1010461798.db2.gz	FDHOCFOTVGETJD-LZQZEXGQSA-N	1	0	371.481	1.922	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1ccc(N2CCC(C)CC2)cc1	ZINC000304728956	1010475737	/nfs/dbraw/zinc/47/57/37/1010475737.db2.gz	CQXFVTHHGSHXES-UHFFFAOYSA-N	1	0	373.545	1.920	20	30		FDEDRO
C[C@H](CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)CN1CCOCC1	ZINC000304761547	1010489496	/nfs/dbraw/zinc/48/94/96/1010489496.db2.gz	UNWDQLVYJIVTNR-CYBMUJFWSA-N	1	0	374.407	1.958	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1	ZINC000951131894	1010495568	/nfs/dbraw/zinc/49/55/68/1010495568.db2.gz	IHYZRISCJMKJHZ-OLMNPRSZSA-N	1	0	371.485	1.583	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1	ZINC000959681515	1010576811	/nfs/dbraw/zinc/57/68/11/1010576811.db2.gz	BEGMLIMCBWVDBQ-DDBAPUKQSA-N	1	0	363.502	1.273	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2	ZINC000951240735	1010637449	/nfs/dbraw/zinc/63/74/49/1010637449.db2.gz	JTRIPAOYQWTHFU-ULQDDVLXSA-N	1	0	361.486	1.171	20	30		FDEDRO
CC(C)N1CCO[C@H](C(=[NH2+])NOCc2nnc(-c3cccc(C#N)c3)o2)C1	ZINC000779654040	1010660855	/nfs/dbraw/zinc/66/08/55/1010660855.db2.gz	YEQTXMIWCWVTLV-HNNXBMFYSA-N	1	0	370.413	1.716	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(=O)n(CCCC)n1)C2	ZINC001111383369	1010991521	/nfs/dbraw/zinc/99/15/21/1010991521.db2.gz	HDIPIIOBFQHLRK-NXHRZFHOSA-N	1	0	374.485	1.581	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2cnn(CC)n2)C1	ZINC000962402578	1011231839	/nfs/dbraw/zinc/23/18/39/1011231839.db2.gz	XTHRABFWIOUKFL-RLNQZENFSA-N	1	0	361.490	1.654	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCO[C@@H]3CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]32)cc1	ZINC000960724424	1011259980	/nfs/dbraw/zinc/25/99/80/1011259980.db2.gz	HOUACZNTIYCUQX-CEXWTWQISA-N	1	0	369.465	1.060	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCC2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)CC[N@@H+]1C	ZINC000952293748	1011575829	/nfs/dbraw/zinc/57/58/29/1011575829.db2.gz	HFWVCBVUBQDJHL-ZWKOTPCHSA-N	1	0	371.485	1.585	20	30		FDEDRO
C=CCN1CC[C@H](N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C3)C1=O	ZINC001095863524	1011966719	/nfs/dbraw/zinc/96/67/19/1011966719.db2.gz	SVONZOSUCDTGLF-OWSLCNJRSA-N	1	0	374.529	1.369	20	30		FDEDRO
C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1nc2ccccc2c(=O)n1CC#N	ZINC000796429951	1012118139	/nfs/dbraw/zinc/11/81/39/1012118139.db2.gz	QNIPYZLYFUHSJV-CVEARBPZSA-N	1	0	351.454	1.979	20	30		FDEDRO
CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1	ZINC000961377980	1012304670	/nfs/dbraw/zinc/30/46/70/1012304670.db2.gz	JIFBSDKEAXMGHJ-YZGWKJHDSA-N	1	0	361.530	1.679	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CS(=O)(=O)NC(C)(C)C)C2	ZINC001111417853	1012451126	/nfs/dbraw/zinc/45/11/26/1012451126.db2.gz	NUPXCCFAASYBAN-KFWWJZLASA-N	1	0	357.520	1.392	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@H](O)C[C@H]2COC)c(OC)c1	ZINC000649742006	1012467399	/nfs/dbraw/zinc/46/73/99/1012467399.db2.gz	LTIGCSAIVAEWIY-GVDBMIGSSA-N	1	0	351.443	1.245	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1	ZINC000953947857	1012934063	/nfs/dbraw/zinc/93/40/63/1012934063.db2.gz	JKMQQYNDXBJRQF-NJAFHUGGSA-N	1	0	363.502	1.369	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(N(C)C(=O)[C@@H]3C[C@H]3C3CC3)CC2)CC1	ZINC000953974049	1012992588	/nfs/dbraw/zinc/99/25/88/1012992588.db2.gz	MQLDVQMCOSLSLA-VQTJNVASSA-N	1	0	371.525	1.827	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000953976537	1013003848	/nfs/dbraw/zinc/00/38/48/1013003848.db2.gz	SHNDHMAQTZUPQY-SQNIBIBYSA-N	1	0	363.502	1.511	20	30		FDEDRO
COCC[N@H+](C)CC[C@H](NS(=O)(=O)N(C)CCC#N)c1ccccc1	ZINC000507565048	538919307	/nfs/dbraw/zinc/91/93/07/538919307.db2.gz	IZYVJCZKMCHXHE-KRWDZBQOSA-N	1	0	368.503	1.376	20	30		FDEDRO
CC(C)C[NH+]1CCC(NC(=O)N2CCN(c3ncccc3C#N)CC2)CC1	ZINC000193120201	178148795	/nfs/dbraw/zinc/14/87/95/178148795.db2.gz	NCCFLVAPOGRNPP-UHFFFAOYSA-N	1	0	370.501	1.905	20	30		FDEDRO
C=CCn1c(CCCC)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000508474464	538933234	/nfs/dbraw/zinc/93/32/34/538933234.db2.gz	UCTPCNNKNCKSRY-UHFFFAOYSA-N	1	0	360.506	1.551	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1C#N	ZINC000194919164	178230134	/nfs/dbraw/zinc/23/01/34/178230134.db2.gz	ARSPFIDQBFZTNS-GASCZTMLSA-N	1	0	356.426	1.304	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)N2CCCC[C@H]2C[NH3+])c1	ZINC000237862435	178334445	/nfs/dbraw/zinc/33/44/45/178334445.db2.gz	PWAWCOHYXMZZIL-LBPRGKRZSA-N	1	0	358.261	1.823	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NCc1ccc(C[NH+]2CCCC2)cc1	ZINC000509399631	538948856	/nfs/dbraw/zinc/94/88/56/538948856.db2.gz	AGVCCHXFIXBEGF-OAHLLOKOSA-N	1	0	350.488	1.851	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](COC(F)F)C2)CC1	ZINC000512826743	538981288	/nfs/dbraw/zinc/98/12/88/538981288.db2.gz	GKSMXADGINAJBI-HUUCEWRRSA-N	1	0	358.433	1.240	20	30		FDEDRO
N#C[C@H]1CN(C(=O)NCCC[NH+]2CCCC2)C[C@@]12C(=O)Nc1ccccc12	ZINC000513848950	539007435	/nfs/dbraw/zinc/00/74/35/539007435.db2.gz	QGYFNQOITOJKIP-MGPUTAFESA-N	1	0	367.453	1.527	20	30		FDEDRO
COc1cc(C#N)ccc1OCCCC(=O)NC1(C#N)CC[NH+](C)CC1	ZINC000518300092	539406896	/nfs/dbraw/zinc/40/68/96/539406896.db2.gz	KMLDSQMMGWLWIJ-UHFFFAOYSA-N	1	0	356.426	1.830	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCCS(=O)(=O)NC(C)(C)C)CC1	ZINC000518510871	539428185	/nfs/dbraw/zinc/42/81/85/539428185.db2.gz	GWXJFFIWMORZJN-UHFFFAOYSA-N	1	0	360.524	1.044	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CC)cc1	ZINC000521070123	539512371	/nfs/dbraw/zinc/51/23/71/539512371.db2.gz	DNFMKRRKJMKTHG-MRXNPFEDSA-N	1	0	365.499	1.755	20	30		FDEDRO
CC1(C)NC(=O)N(CC[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)C1=O	ZINC000264172710	179040717	/nfs/dbraw/zinc/04/07/17/179040717.db2.gz	ZSOOULXTHHHXKF-UHFFFAOYSA-N	1	0	356.426	1.732	20	30		FDEDRO
COCCCNC(=O)C1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1	ZINC000264199557	179047127	/nfs/dbraw/zinc/04/71/27/179047127.db2.gz	ICVGRPPQKYRFAZ-UHFFFAOYSA-N	1	0	372.469	1.752	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)c1	ZINC000264289328	179069887	/nfs/dbraw/zinc/06/98/87/179069887.db2.gz	AOOILSIGMFBYBG-UHFFFAOYSA-N	1	0	356.426	1.258	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3cc(C#N)ccc3OC)C2)CC1	ZINC000264488990	179120856	/nfs/dbraw/zinc/12/08/56/179120856.db2.gz	VMEKEMUBGVWKRM-MRXNPFEDSA-N	1	0	357.458	1.811	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)c2cccn(Cc3ccccc3)c2=O)CC1	ZINC000524686406	539657021	/nfs/dbraw/zinc/65/70/21/539657021.db2.gz	RYGOLLAOCFRWNP-UHFFFAOYSA-N	1	0	350.422	1.614	20	30		FDEDRO
C[NH+](C)[C@@]1(CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CCSC1	ZINC000267191177	179785226	/nfs/dbraw/zinc/78/52/26/179785226.db2.gz	OOAHCQGDJBRMOK-GOSISDBHSA-N	1	0	374.514	1.222	20	30		FDEDRO
N#Cc1cccc(CS(=O)(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1	ZINC000528061913	539729223	/nfs/dbraw/zinc/72/92/23/539729223.db2.gz	YPVBRUZNCIITOK-GOSISDBHSA-N	1	0	363.483	1.479	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000268917691	180179695	/nfs/dbraw/zinc/17/96/95/180179695.db2.gz	VOXAPSINVVKHOZ-MRXNPFEDSA-N	1	0	371.441	1.337	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NCCC[NH+]2CCC(O)CC2)c(Cl)c1	ZINC000269112263	180218960	/nfs/dbraw/zinc/21/89/60/180218960.db2.gz	QNSNUIRJLPOSHA-UHFFFAOYSA-N	1	0	364.833	1.113	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CC(=O)N(c2ccccc2F)C1	ZINC000530233428	539916712	/nfs/dbraw/zinc/91/67/12/539916712.db2.gz	JDBXMIMUQMGUFF-CVEARBPZSA-N	1	0	369.396	1.832	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)N[C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)CC2)c1C#N	ZINC000530408518	539963726	/nfs/dbraw/zinc/96/37/26/539963726.db2.gz	ZXCYEDGMOWDBFY-HIFRSBDPSA-N	1	0	371.489	1.057	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1	ZINC000530460951	539977352	/nfs/dbraw/zinc/97/73/52/539977352.db2.gz	XBCPSPYCSKFILF-UHFFFAOYSA-N	1	0	373.505	1.306	20	30		FDEDRO
CC(C)(O)C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C1CCOCC1	ZINC000530939262	540072385	/nfs/dbraw/zinc/07/23/85/540072385.db2.gz	JXWNXSNJYOAELT-UHFFFAOYSA-N	1	0	366.483	1.584	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@@H]1[NH+]1CCCC1	ZINC000274783471	181165348	/nfs/dbraw/zinc/16/53/48/181165348.db2.gz	KRKIDPPFUVFCAS-HOTGVXAUSA-N	1	0	369.487	1.898	20	30		FDEDRO
C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H]1CCS(=O)(=O)C1	ZINC000533291745	540226211	/nfs/dbraw/zinc/22/62/11/540226211.db2.gz	BRBNEIALNBYFLB-LBPRGKRZSA-N	1	0	369.874	1.907	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)n(CCC#N)n1	ZINC000533320055	540231665	/nfs/dbraw/zinc/23/16/65/540231665.db2.gz	NLZWQFFDZNUVFM-UHFFFAOYSA-N	1	0	360.462	1.234	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)n(CCC#N)n1	ZINC000533321929	540231996	/nfs/dbraw/zinc/23/19/96/540231996.db2.gz	TXBTVFCDZMCZKD-OAHLLOKOSA-N	1	0	360.462	1.280	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCCCC[N@H+]2CCCC[C@H]2C)n(CCC#N)n1	ZINC000533454278	540249710	/nfs/dbraw/zinc/24/97/10/540249710.db2.gz	BEIDHSLLJRTFHJ-MRXNPFEDSA-N	1	0	374.489	1.815	20	30		FDEDRO
CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)C1	ZINC000481063559	538872185	/nfs/dbraw/zinc/87/21/85/538872185.db2.gz	VMVAYQBNHKTJFR-ZIAGYGMSSA-N	1	0	364.471	1.836	20	30		FDEDRO
CCN1CCOC[C@@H]1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000534312084	540351708	/nfs/dbraw/zinc/35/17/08/540351708.db2.gz	HKWHXZJJGVJERD-LJQANCHMSA-N	1	0	356.470	1.313	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1	ZINC000537663928	540757854	/nfs/dbraw/zinc/75/78/54/540757854.db2.gz	UHFWVNYUCKFZIR-AWEZNQCLSA-N	1	0	353.426	1.533	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](CN1CCOCC1)c1ccc(C)cc1	ZINC000538141490	540816529	/nfs/dbraw/zinc/81/65/29/540816529.db2.gz	PAJTZPYLVLJIHA-ICSRJNTNSA-N	1	0	372.513	1.966	20	30		FDEDRO
C=CC[C@H](CO)C[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000539297448	540943793	/nfs/dbraw/zinc/94/37/93/540943793.db2.gz	DHQKOODDCBSIDU-CVEARBPZSA-N	1	0	368.499	1.543	20	30		FDEDRO
C=CC[C@@H](CO)NC(=O)NC[C@@H](c1cccs1)N1CCN(C)CC1	ZINC000539602669	540976365	/nfs/dbraw/zinc/97/63/65/540976365.db2.gz	MROBFGLEAFEZJC-GJZGRUSLSA-N	1	0	352.504	1.273	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC1(C)C)C2	ZINC001112510707	781948877	/nfs/dbraw/zinc/94/88/77/781948877.db2.gz	AOTWXYCJWZXYQX-FVJLSDCUSA-N	1	0	359.514	1.780	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](CC)c1cccc(S(N)(=O)=O)c1	ZINC000541204581	541168239	/nfs/dbraw/zinc/16/82/39/541168239.db2.gz	QXDZBUOQRZINMS-PBHICJAKSA-N	1	0	365.499	1.964	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c1	ZINC000269189415	674107576	/nfs/dbraw/zinc/10/75/76/674107576.db2.gz	JZRQSFBFFVXUSS-HIFRSBDPSA-N	1	0	351.472	1.269	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087198880	781951444	/nfs/dbraw/zinc/95/14/44/781951444.db2.gz	GUQRQZGFLSDYOD-JLSDUUJJSA-N	1	0	369.469	1.299	20	30		FDEDRO
C[C@H](CCNC(=O)N(C)CCCc1[nH]nc(N)c1C#N)[NH+]1CCCCC1	ZINC000541521069	541222910	/nfs/dbraw/zinc/22/29/10/541222910.db2.gz	OWMZPEJREOCPCU-CQSZACIVSA-N	1	0	361.494	1.702	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCOC[C@H]2c2noc(C(C)C)n2)CC1	ZINC000542751806	541459920	/nfs/dbraw/zinc/45/99/20/541459920.db2.gz	STSILMVJJSTERN-HNNXBMFYSA-N	1	0	363.462	1.926	20	30		FDEDRO
CC[NH+](CC)CCOCCNS(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000543689380	541636135	/nfs/dbraw/zinc/63/61/35/541636135.db2.gz	DMBOVNHDFOASGV-UHFFFAOYSA-N	1	0	357.451	1.475	20	30		FDEDRO
C[N@H+](CC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCSC1	ZINC000543743887	541651005	/nfs/dbraw/zinc/65/10/05/541651005.db2.gz	NESPAKDRSTUDCA-IAGOWNOFSA-N	1	0	372.494	1.607	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)CC1(C#N)CCCC1	ZINC000544725032	541817226	/nfs/dbraw/zinc/81/72/26/541817226.db2.gz	CPPCMMSTSXKUBN-OAGGEKHMSA-N	1	0	355.504	1.584	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(c2cccc(C#N)n2)CC1	ZINC000544840396	541840399	/nfs/dbraw/zinc/84/03/99/541840399.db2.gz	QUMXNXXVNVCAFL-KRWDZBQOSA-N	1	0	356.474	1.659	20	30		FDEDRO
C[N@@H+]1CC[C@@](O)(CNC(=O)c2cccc(COc3ccccc3C#N)c2)C1	ZINC000545155684	541883652	/nfs/dbraw/zinc/88/36/52/541883652.db2.gz	UIOCIYNPVMDUPX-OAQYLSRUSA-N	1	0	365.433	1.934	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1CC[NH+](CC)CC1	ZINC000283645671	182238975	/nfs/dbraw/zinc/23/89/75/182238975.db2.gz	YRUWSIJHRGGJLI-UHFFFAOYSA-N	1	0	356.470	1.897	20	30		FDEDRO
CC(C)OCCCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000284049221	182348626	/nfs/dbraw/zinc/34/86/26/182348626.db2.gz	NVECGGYCQLNJAG-UHFFFAOYSA-N	1	0	374.485	1.380	20	30		FDEDRO
C[NH+](C)Cc1cccc(CNC(=O)C(=O)NCc2cccc(C#N)c2)c1	ZINC000284079955	182358362	/nfs/dbraw/zinc/35/83/62/182358362.db2.gz	RXHFBMXBUISGOR-UHFFFAOYSA-N	1	0	350.422	1.552	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)[C@H](C)n3cnc(C#N)n3)c(C)c2)CC1	ZINC000545966884	542060886	/nfs/dbraw/zinc/06/08/86/542060886.db2.gz	LYUUDIQZKHTBBG-HNNXBMFYSA-N	1	0	367.457	1.800	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1	ZINC000546003203	542072543	/nfs/dbraw/zinc/07/25/43/542072543.db2.gz	MIOPNDHQEIITRF-UHFFFAOYSA-N	1	0	366.421	1.754	20	30		FDEDRO
C[C@]1(CO)CCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000546105770	542099692	/nfs/dbraw/zinc/09/96/92/542099692.db2.gz	YZZYPBBIYXMVAI-AZUAARDMSA-N	1	0	374.460	1.381	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000286102330	182988314	/nfs/dbraw/zinc/98/83/14/182988314.db2.gz	URPNRJLCYJIUCT-INIZCTEOSA-N	1	0	374.460	1.751	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1	ZINC000546712171	542207135	/nfs/dbraw/zinc/20/71/35/542207135.db2.gz	XAZVXNAFNUFWGS-MRXNPFEDSA-N	1	0	370.453	1.696	20	30		FDEDRO
N#CC1(CS(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCCC1	ZINC000546776890	542223993	/nfs/dbraw/zinc/22/39/93/542223993.db2.gz	KMYUHAZVDHGDQJ-SJORKVTESA-N	1	0	369.531	1.758	20	30		FDEDRO
CC(C)C[C@H]1OCCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000290129679	183603824	/nfs/dbraw/zinc/60/38/24/183603824.db2.gz	ZKIXPDBMWTYPAY-HZPDHXFCSA-N	1	0	351.472	1.910	20	30		FDEDRO
CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000294975612	184024651	/nfs/dbraw/zinc/02/46/51/184024651.db2.gz	GDNBOSGUNSJTOI-MRXNPFEDSA-N	1	0	361.471	1.376	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCCOCC1	ZINC000297133053	184237437	/nfs/dbraw/zinc/23/74/37/184237437.db2.gz	PSBQZOSXWZDGJQ-UHFFFAOYSA-N	1	0	360.458	1.439	20	30		FDEDRO
C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)Cc3ccc(F)cc3C#N)C2)C1	ZINC000297142717	184238452	/nfs/dbraw/zinc/23/84/52/184238452.db2.gz	QWQLNFULYZIJDY-QGZVFWFLSA-N	1	0	351.447	1.945	20	30		FDEDRO
N#Cc1cccc(OC2CCN(C(=O)NCC[N@@H+]3CCCOCC3)CC2)c1	ZINC000297247641	184250111	/nfs/dbraw/zinc/25/01/11/184250111.db2.gz	YCASOZZNLLGGLT-UHFFFAOYSA-N	1	0	372.469	1.833	20	30		FDEDRO
CC[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CCO1	ZINC000297500141	184279163	/nfs/dbraw/zinc/27/91/63/184279163.db2.gz	CXHFQCYHPDCYNX-GOSISDBHSA-N	1	0	372.469	1.086	20	30		FDEDRO
CCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)C(=O)N1CCN(C(C)=O)CC1	ZINC000297828268	184337276	/nfs/dbraw/zinc/33/72/76/184337276.db2.gz	JQHZJLAQEBKTKV-MRXNPFEDSA-N	1	0	356.470	1.849	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C	ZINC000547415574	542335247	/nfs/dbraw/zinc/33/52/47/542335247.db2.gz	JMZASXRMQHZEIC-CVEARBPZSA-N	1	0	370.453	1.979	20	30		FDEDRO
Cc1c([C@H]2OCC[C@@H]2[NH2+]CC(=O)NCc2cccc(C#N)c2)cnn1C	ZINC000548008398	542519345	/nfs/dbraw/zinc/51/93/45/542519345.db2.gz	KVTBSZCITYOAAF-PKOBYXMFSA-N	1	0	353.426	1.336	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1nc(-c2ccccc2F)no1	ZINC000548072793	542547464	/nfs/dbraw/zinc/54/74/64/542547464.db2.gz	FNEXOGDCINZNSH-UHFFFAOYSA-N	1	0	355.377	2.117	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2c(C)nn(C)c2-n2cc(C)cn2)CC1	ZINC000548304798	542617650	/nfs/dbraw/zinc/61/76/50/542617650.db2.gz	KICQWYMRBOYSHH-UHFFFAOYSA-N	1	0	356.474	1.993	20	30		FDEDRO
C=CCn1c([C@@H]2CCOC2)nnc1N1CCC(C[NH+]2CCOCC2)CC1	ZINC000548954423	542813204	/nfs/dbraw/zinc/81/32/04/542813204.db2.gz	XUGPCFGIBDSBQX-QGZVFWFLSA-N	1	0	361.490	1.517	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)NCCNc3cc[nH+]cc3)CC2)o1	ZINC000549242536	542857157	/nfs/dbraw/zinc/85/71/57/542857157.db2.gz	XZODPUAEAOMNDZ-UHFFFAOYSA-N	1	0	354.414	1.116	20	30		FDEDRO
C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1	ZINC000549639314	542910818	/nfs/dbraw/zinc/91/08/18/542910818.db2.gz	VHCTVPAIQMDXIN-MRXNPFEDSA-N	1	0	360.506	1.867	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1	ZINC000550173771	543028877	/nfs/dbraw/zinc/02/88/77/543028877.db2.gz	HJLARWBWFLNTSV-UHFFFAOYSA-N	1	0	373.497	1.950	20	30		FDEDRO
C=CCN(CCC#N)C(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C	ZINC000550998751	543213174	/nfs/dbraw/zinc/21/31/74/543213174.db2.gz	QTPRJNSIUMUVJE-MRXNPFEDSA-N	1	0	356.426	1.939	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@@H]1CO)C(C)C	ZINC000551219093	543254156	/nfs/dbraw/zinc/25/41/56/543254156.db2.gz	PRYGBUGLEPXEIC-ZACQAIPSSA-N	1	0	351.491	1.031	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)n(CCC#N)n1	ZINC000551373252	543276249	/nfs/dbraw/zinc/27/62/49/543276249.db2.gz	ZVWOUJOMQMKTKL-OFQRWUPVSA-N	1	0	372.473	1.232	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2nnn(Cc3ccncc3)c2C)CC1	ZINC000551988810	543398957	/nfs/dbraw/zinc/39/89/57/543398957.db2.gz	BHVIUMRTWFYQBI-UHFFFAOYSA-N	1	0	354.458	1.800	20	30		FDEDRO
N#CC1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1	ZINC000552402420	543462787	/nfs/dbraw/zinc/46/27/87/543462787.db2.gz	NNDMEGZMVAIREM-IBGZPJMESA-N	1	0	368.481	1.429	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(OCC(=O)NC)c2)CC1	ZINC000552575593	543486761	/nfs/dbraw/zinc/48/67/61/543486761.db2.gz	CQOGLBYQIREMKZ-UHFFFAOYSA-N	1	0	374.485	1.651	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C1CCC1	ZINC000072722165	172048862	/nfs/dbraw/zinc/04/88/62/172048862.db2.gz	WKFXRIBGKUSHRY-UHFFFAOYSA-N	1	0	369.425	1.939	20	30		FDEDRO
COc1cccc([C@H](CNc2ccc(S(N)(=O)=O)cc2C#N)[NH+](C)C)c1	ZINC000078873916	172155331	/nfs/dbraw/zinc/15/53/31/172155331.db2.gz	OTPSLFZBUVEDAK-SFHVURJKSA-N	1	0	374.466	1.929	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000088769533	172236145	/nfs/dbraw/zinc/23/61/45/172236145.db2.gz	YNSXJUCJTMVYEY-UHFFFAOYSA-N	1	0	352.822	1.235	20	30		FDEDRO
C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000091194073	172277536	/nfs/dbraw/zinc/27/75/36/172277536.db2.gz	XTUJABPYGQQDEP-ZDUSSCGKSA-N	1	0	360.462	1.439	20	30		FDEDRO
C[N@H+](CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)C1CCCC1	ZINC000091235779	172279707	/nfs/dbraw/zinc/27/97/07/172279707.db2.gz	QEEZWGGVQUMWBB-UHFFFAOYSA-N	1	0	360.462	1.439	20	30		FDEDRO
Cc1nc(SCC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c(C#N)c(C)c1C	ZINC000116793900	172679615	/nfs/dbraw/zinc/67/96/15/172679615.db2.gz	JHONEUMPBILUIL-HNNXBMFYSA-N	1	0	362.499	1.760	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C[N@@H+]1C1CC1	ZINC000123736637	172945843	/nfs/dbraw/zinc/94/58/43/172945843.db2.gz	YGMOHYHMXCNAHG-ILXRZTDVSA-N	1	0	369.473	1.194	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CCCC[C@H]2CN2CCOCC2)c1C#N	ZINC000129846840	173153103	/nfs/dbraw/zinc/15/31/03/173153103.db2.gz	HBKFUBWCVATOTF-INIZCTEOSA-N	1	0	370.453	1.519	20	30		FDEDRO
CC[NH+](CC)[C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000129937544	173154953	/nfs/dbraw/zinc/15/49/53/173154953.db2.gz	WQHPXAFOFTWIGT-KGLIPLIRSA-N	1	0	366.487	1.072	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(OC3CCOCC3)CC2)cc1	ZINC000133617170	173270140	/nfs/dbraw/zinc/27/01/40/173270140.db2.gz	MJPOCQGHMLLVRR-KRWDZBQOSA-N	1	0	360.454	1.958	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000136846785	173365663	/nfs/dbraw/zinc/36/56/63/173365663.db2.gz	AOCJXNWZMGHEGF-RDJZCZTQSA-N	1	0	357.454	1.943	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000141653635	173376389	/nfs/dbraw/zinc/37/63/89/173376389.db2.gz	ZBGCLDMSZAQBMQ-ROUUACIJSA-N	1	0	370.453	1.011	20	30		FDEDRO
C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000171115631	173861277	/nfs/dbraw/zinc/86/12/77/173861277.db2.gz	JBKPOEWGNIFJLN-BZUAXINKSA-N	1	0	356.470	1.771	20	30		FDEDRO
CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000175602510	174014651	/nfs/dbraw/zinc/01/46/51/174014651.db2.gz	LZZCWZIYSIQBOH-IBGZPJMESA-N	1	0	371.485	1.395	20	30		FDEDRO
C[NH+](C)C1CCN(CCNS(=O)(=O)c2ccc(F)c(C#N)c2)CC1	ZINC000176921977	174094682	/nfs/dbraw/zinc/09/46/82/174094682.db2.gz	QMMAVEMSHHAWNZ-UHFFFAOYSA-N	1	0	354.451	1.002	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3cccc(C#N)c3C)C2)CC1	ZINC000178469750	174190172	/nfs/dbraw/zinc/19/01/72/174190172.db2.gz	BQHUKELYOQXAIS-KRWDZBQOSA-N	1	0	369.469	1.044	20	30		FDEDRO
Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2	ZINC000179989275	258360362	/nfs/dbraw/zinc/36/03/62/258360362.db2.gz	CRLAOQNGAMTUAS-NVXWUHKLSA-N	1	0	350.426	1.558	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(Cc3nnc(-c4ccc(C#N)cc4)o3)C2)CC1	ZINC000173708753	258308454	/nfs/dbraw/zinc/30/84/54/258308454.db2.gz	VTYMYMVAAYZLCQ-SFHVURJKSA-N	1	0	366.469	1.820	20	30		FDEDRO
CC(C)c1nc(N(C)C)nc(N2CCN(c3ccc(C#N)cn3)CC2)n1	ZINC000179277184	258347371	/nfs/dbraw/zinc/34/73/71/258347371.db2.gz	BXJIHGJJNQYIPU-UHFFFAOYSA-N	1	0	352.446	1.654	20	30		FDEDRO
N#Cc1cc(C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c[nH]1	ZINC000181287199	258378257	/nfs/dbraw/zinc/37/82/57/258378257.db2.gz	KFTDOVLWZUWBQJ-MRXNPFEDSA-N	1	0	365.437	1.514	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[NH+]2CCC1CC2	ZINC000189782943	258387631	/nfs/dbraw/zinc/38/76/31/258387631.db2.gz	VBHWKFXXWMKBNY-UHFFFAOYSA-N	1	0	356.426	1.591	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCO[C@H](C(CC)CC)C2)CC1	ZINC000553330302	543610352	/nfs/dbraw/zinc/61/03/52/543610352.db2.gz	DXPSEYMVIIAIAE-MSOLQXFVSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCO[C@@H](CC(C)C)C2)CC1	ZINC000553330107	543610559	/nfs/dbraw/zinc/61/05/59/543610559.db2.gz	XNJNJHLRESMDTK-SJORKVTESA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@@H](SCC)C2)CC1	ZINC000553329812	543610858	/nfs/dbraw/zinc/61/08/58/543610858.db2.gz	QOQKMJNBXJJOHF-HZPDHXFCSA-N	1	0	353.532	1.934	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1	ZINC000553712072	543686292	/nfs/dbraw/zinc/68/62/92/543686292.db2.gz	PVCHEZBFGWJQAB-GVDBMIGSSA-N	1	0	361.486	1.217	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1	ZINC000554342738	543788100	/nfs/dbraw/zinc/78/81/00/543788100.db2.gz	DBKWGJFNOUHQQA-NVXWUHKLSA-N	1	0	359.470	1.809	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]CCOc2ccc3c(c2)OCO3)c1	ZINC000554798057	543873540	/nfs/dbraw/zinc/87/35/40/543873540.db2.gz	PXUJGTSTDLDEAL-UHFFFAOYSA-N	1	0	374.418	1.729	20	30		FDEDRO
CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCN(c2cccc(C#N)n2)CC1	ZINC000555171673	543922438	/nfs/dbraw/zinc/92/24/38/543922438.db2.gz	PEKLFQBHBCVXHA-INIZCTEOSA-N	1	0	358.490	1.905	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1	ZINC000555922968	544055421	/nfs/dbraw/zinc/05/54/21/544055421.db2.gz	WXILDDMFSPSODR-IRXDYDNUSA-N	1	0	352.523	1.236	20	30		FDEDRO
CC[N@H+](CCO)CCNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N	ZINC000556082897	544090171	/nfs/dbraw/zinc/09/01/71/544090171.db2.gz	VSRMRHLPPKBGTP-UHFFFAOYSA-N	1	0	366.487	1.286	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)NCC1CC[NH2+]CC1	ZINC000557246457	544268770	/nfs/dbraw/zinc/26/87/70/544268770.db2.gz	IPDZPCHWCLACCE-UHFFFAOYSA-N	1	0	360.483	1.023	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@H+](Cc1ccc(-n2cncn2)cc1)C1CC1	ZINC000558859797	544543373	/nfs/dbraw/zinc/54/33/73/544543373.db2.gz	GNWGJVMMGIKQHC-UHFFFAOYSA-N	1	0	352.442	1.994	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH2+][C@H](C3CC3)[C@]3(CO)CCCO3)C2=O)cc1	ZINC000559465811	544696622	/nfs/dbraw/zinc/69/66/22/544696622.db2.gz	BYAMRPQZLAXTBT-QKNQBKEWSA-N	1	0	369.465	1.963	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCO[C@H](C(C)C)C2)CC1	ZINC000559496393	544706380	/nfs/dbraw/zinc/70/63/80/544706380.db2.gz	WFQLDVZBXOTESV-ROUUACIJSA-N	1	0	350.507	1.426	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)CCC(C)(C)C#N	ZINC000559637331	544751364	/nfs/dbraw/zinc/75/13/64/544751364.db2.gz	OGKOXVQOMVXZDD-INIZCTEOSA-N	1	0	358.552	1.604	20	30		FDEDRO
C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1sccc1C#N	ZINC000559597335	544737154	/nfs/dbraw/zinc/73/71/54/544737154.db2.gz	INKXQDYCJSCSOO-ZDUSSCGKSA-N	1	0	350.444	1.127	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1)C(C)C	ZINC000559866951	544827120	/nfs/dbraw/zinc/82/71/20/544827120.db2.gz	VMWPREVBEGCBFS-MLHJIOFPSA-N	1	0	363.502	1.031	20	30		FDEDRO
C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)C[C@@H](C)C1	ZINC000560151984	544897695	/nfs/dbraw/zinc/89/76/95/544897695.db2.gz	QAEUJWUWMGYPKV-HDMKZQKVSA-N	1	0	366.465	1.636	20	30		FDEDRO
CC1(C)COC[C@H]1[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000560319584	544952151	/nfs/dbraw/zinc/95/21/51/544952151.db2.gz	AQLDANXLDAOOFS-GOEBONIOSA-N	1	0	362.499	1.472	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2COc3ccccc3O2)cc1	ZINC000560369214	544979593	/nfs/dbraw/zinc/97/95/93/544979593.db2.gz	OVQSDILMCDMGHD-WMZOPIPTSA-N	1	0	354.406	1.922	20	30		FDEDRO
C[C@@H](C#N)CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1	ZINC000560382264	544986998	/nfs/dbraw/zinc/98/69/98/544986998.db2.gz	SJDMFNRQKLMALV-IPELMVKDSA-N	1	0	351.454	1.912	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NCCCCC[NH+]1CCCC1	ZINC000293620675	258887201	/nfs/dbraw/zinc/88/72/01/258887201.db2.gz	GBFUHCAKGJGHDT-UHFFFAOYSA-N	1	0	358.442	1.888	20	30		FDEDRO
C[C@@H]1C[NH+](CCCNc2ccc(S(N)(=O)=O)cc2C#N)C[C@@H](C)O1	ZINC000301173979	259022459	/nfs/dbraw/zinc/02/24/59/259022459.db2.gz	HHPPPVZZLTYVMQ-CHWSQXEVSA-N	1	0	352.460	1.117	20	30		FDEDRO
Cn1c(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c(C#N)c(=O)n(C)c1=O	ZINC000301841401	259034200	/nfs/dbraw/zinc/03/42/00/259034200.db2.gz	BTZFJPJOOMMIBM-HUUCEWRRSA-N	1	0	373.844	1.466	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@@H]3[C@H]3COCC[C@@H]3O)C2=O)cc1	ZINC000328772432	259057683	/nfs/dbraw/zinc/05/76/83/259057683.db2.gz	HDRYYOFFQATCEW-ZRNYENFQSA-N	1	0	369.465	1.915	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)CC2)cc1	ZINC000328944755	259067886	/nfs/dbraw/zinc/06/78/86/259067886.db2.gz	JJMOCMIEJOHORP-LJQANCHMSA-N	1	0	354.454	1.318	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)[C@@H]2C1	ZINC000329220065	259085626	/nfs/dbraw/zinc/08/56/26/259085626.db2.gz	SVJCHITVQRSYLH-LZQZEXGQSA-N	1	0	372.444	1.455	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000329813800	259112231	/nfs/dbraw/zinc/11/22/31/259112231.db2.gz	CXKNPDNKRKYTPP-PXAZEXFGSA-N	1	0	350.426	1.539	20	30		FDEDRO
C[C@H]([NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O)C(=O)Nc1ccccc1C#N	ZINC000331171048	259180130	/nfs/dbraw/zinc/18/01/30/259180130.db2.gz	IGSBGHYLZGLJMA-RCBQFDQVSA-N	1	0	364.471	1.335	20	30		FDEDRO
CC1(C)CN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[NH2+]1	ZINC000331928086	259229615	/nfs/dbraw/zinc/22/96/15/259229615.db2.gz	WCLNHISDMIKLPT-INIZCTEOSA-N	1	0	355.442	1.447	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC1([NH3+])CCCCC1	ZINC000332060180	259238276	/nfs/dbraw/zinc/23/82/76/259238276.db2.gz	PDMZCMLBQHVZOS-AWEZNQCLSA-N	1	0	357.462	1.230	20	30		FDEDRO
Cc1cc(C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)ncc1C#N	ZINC000332395868	259263088	/nfs/dbraw/zinc/26/30/88/259263088.db2.gz	OUJDDZGNSRRVKZ-UHFFFAOYSA-N	1	0	355.486	1.892	20	30		FDEDRO
CNC(=O)[C@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000333071540	259305373	/nfs/dbraw/zinc/30/53/73/259305373.db2.gz	AASNAMAUHYZVFN-GXTWGEPZSA-N	1	0	360.483	1.941	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1	ZINC000333359636	259339346	/nfs/dbraw/zinc/33/93/46/259339346.db2.gz	CRONOMKKRPLKLI-UHFFFAOYSA-N	1	0	371.466	1.692	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3C[C@H]4C[NH2+]CC[C@@H]4C3)C2=O)cc1	ZINC000333490068	259353276	/nfs/dbraw/zinc/35/32/76/259353276.db2.gz	CHVNQAXFWWCWRT-NUJGCVRESA-N	1	0	367.453	1.305	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1	ZINC000333526110	259356368	/nfs/dbraw/zinc/35/63/68/259356368.db2.gz	OZBMAQUAKIGPCT-DOTOQJQBSA-N	1	0	370.453	1.138	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)C2=O)cc1	ZINC000333554235	259359282	/nfs/dbraw/zinc/35/92/82/259359282.db2.gz	KOVBKLAWYNMNRE-SOLBZPMBSA-N	1	0	367.453	1.590	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1F	ZINC000333647066	259366253	/nfs/dbraw/zinc/36/62/53/259366253.db2.gz	JEQALGLJVZPJRK-SJORKVTESA-N	1	0	367.446	1.604	20	30		FDEDRO
N#Cc1ccc(Cl)c(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1	ZINC000367574811	260062794	/nfs/dbraw/zinc/06/27/94/260062794.db2.gz	XMMDWPVYYDRXEQ-OAHLLOKOSA-N	1	0	362.861	1.348	20	30		FDEDRO
N#Cc1ccc(S(N)(=O)=O)cc1NCCN1CCc2sccc2C1	ZINC000367720782	260081744	/nfs/dbraw/zinc/08/17/44/260081744.db2.gz	MGBMBWKZVVUKKE-UHFFFAOYSA-N	1	0	362.480	1.737	20	30		FDEDRO
N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCN3CCOC[C@H]3C1)CCC2	ZINC000368327672	260166870	/nfs/dbraw/zinc/16/68/70/260166870.db2.gz	MKOUOVMEDLCQMG-CYBMUJFWSA-N	1	0	360.483	1.453	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)cc1	ZINC000369181518	260309234	/nfs/dbraw/zinc/30/92/34/260309234.db2.gz	ZUJMXBNLGHTACB-QZTJIDSGSA-N	1	0	357.454	1.775	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000369396332	260356871	/nfs/dbraw/zinc/35/68/71/260356871.db2.gz	WSMINULHTRQFEG-IBGZPJMESA-N	1	0	371.485	1.106	20	30		FDEDRO
C[C@H]1CN(C(=O)COc2ccc(C#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000374313863	261108972	/nfs/dbraw/zinc/10/89/72/261108972.db2.gz	BHHLJPJSSNWKFF-LPHOPBHVSA-N	1	0	356.470	1.421	20	30		FDEDRO
CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCCN(c3ccc(C#N)cc3)CC2)C1	ZINC000374874804	261217111	/nfs/dbraw/zinc/21/71/11/261217111.db2.gz	KMFLBXAEVRODHC-QGZVFWFLSA-N	1	0	362.499	1.352	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000377294242	261764220	/nfs/dbraw/zinc/76/42/20/261764220.db2.gz	AAKBCNBDGQKQAG-KZNAEPCWSA-N	1	0	363.483	1.572	20	30		FDEDRO
C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)n1cnc(C#N)n1	ZINC000409851971	262142300	/nfs/dbraw/zinc/14/23/00/262142300.db2.gz	XVAMJQNJXZPOLN-LBPRGKRZSA-N	1	0	362.384	1.579	20	30		FDEDRO
C=CCc1cc(C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)cc(OC)c1O	ZINC000271149145	674315681	/nfs/dbraw/zinc/31/56/81/674315681.db2.gz	AAQXUBLKHGSMNP-CYBMUJFWSA-N	1	0	354.472	1.630	20	30		FDEDRO
N#CCCCCS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000271200673	674321591	/nfs/dbraw/zinc/32/15/91/674321591.db2.gz	IWILWJNWMPSSLA-QZTJIDSGSA-N	1	0	365.499	1.483	20	30		FDEDRO
C[NH+](C)CCNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1	ZINC000543920716	490951595	/nfs/dbraw/zinc/95/15/95/490951595.db2.gz	IOERNONLHGICNU-UHFFFAOYSA-N	1	0	360.805	1.014	20	30		FDEDRO
Cn1cc(C#N)c(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)n1	ZINC000610876686	492266053	/nfs/dbraw/zinc/26/60/53/492266053.db2.gz	OSTGVUMPGGYBOA-WBVHZDCISA-N	1	0	368.441	1.296	20	30		FDEDRO
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1	ZINC000611359021	492286442	/nfs/dbraw/zinc/28/64/42/492286442.db2.gz	CYAFGNDYQANHQL-ZIAGYGMSSA-N	1	0	358.446	1.191	20	30		FDEDRO
C=CCn1c(Nc2cnn(C3CC[NH+](C)CC3)c2)nnc1-c1cn(C)nn1	ZINC000634340523	492338693	/nfs/dbraw/zinc/33/86/93/492338693.db2.gz	QWCAHAYRPWWMGG-UHFFFAOYSA-N	1	0	368.449	1.466	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCC[NH+](C(C)C)C(C)C)cc1	ZINC000016600134	518762107	/nfs/dbraw/zinc/76/21/07/518762107.db2.gz	RRHLRJJLCMDJHJ-UHFFFAOYSA-N	1	0	367.515	2.000	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+]C2(CO)CCOCC2)c(OC)c1	ZINC000069247800	521839724	/nfs/dbraw/zinc/83/97/24/521839724.db2.gz	DEFMZEKEIBYBHJ-INIZCTEOSA-N	1	0	351.443	1.295	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1	ZINC000069935780	521983520	/nfs/dbraw/zinc/98/35/20/521983520.db2.gz	UIQCWRBLJORSFT-GOSISDBHSA-N	1	0	372.469	1.843	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1cccc(OCCCC#N)c1)[NH+]1CCCC1	ZINC000070965716	522066248	/nfs/dbraw/zinc/06/62/48/522066248.db2.gz	CGMZSAPIXCMOMR-OAHLLOKOSA-N	1	0	358.442	1.908	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)ccc1F	ZINC000057708131	522138914	/nfs/dbraw/zinc/13/89/14/522138914.db2.gz	UNIUNPFISCTNAB-LBPRGKRZSA-N	1	0	369.462	1.503	20	30		FDEDRO
C[C@H]1CCC[N@H+](CCNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1	ZINC000046377847	522285985	/nfs/dbraw/zinc/28/59/85/522285985.db2.gz	HCZBQRXLDCGIIF-INIZCTEOSA-N	1	0	356.474	1.517	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2C(=O)N(C)C)c(OC)c1	ZINC000073123727	522471639	/nfs/dbraw/zinc/47/16/39/522471639.db2.gz	FPRZPINCSXDHHY-IRXDYDNUSA-N	1	0	362.470	1.716	20	30		FDEDRO
O=S1(=O)CC[C@@H](CNC(NCc2cccc(Cl)c2)=[NH+]C2CC2)C1	ZINC000073248007	522495261	/nfs/dbraw/zinc/49/52/61/522495261.db2.gz	PGDLEUWVCBSMBI-ZDUSSCGKSA-N	1	0	355.891	1.972	20	30		FDEDRO
N#Cc1cccc(NC(=O)CC[NH+]2CCC(C(=O)N3CCOCC3)CC2)c1	ZINC000073501388	522537682	/nfs/dbraw/zinc/53/76/82/522537682.db2.gz	CGOLIACXTDUSAS-UHFFFAOYSA-N	1	0	370.453	1.458	20	30		FDEDRO
C[NH+]1CCN(Cc2cccc(C(=O)Nc3ccn(CCC#N)n3)c2)CC1	ZINC000073797296	522608647	/nfs/dbraw/zinc/60/86/47/522608647.db2.gz	AMUVFDLEUILCPS-UHFFFAOYSA-N	1	0	352.442	1.796	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000063825496	522657296	/nfs/dbraw/zinc/65/72/96/522657296.db2.gz	LPEDWBFMJFFOOF-GASCZTMLSA-N	1	0	358.442	1.421	20	30		FDEDRO
Cn1cc([C@@H]2C[C@H]2C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cn1	ZINC000063930630	522672009	/nfs/dbraw/zinc/67/20/09/522672009.db2.gz	OYCLYXFPTFBLPX-RBUKOAKNSA-N	1	0	351.454	1.986	20	30		FDEDRO
CC[NH+]1CCN(CCCNC(=O)CSCc2ccc(C#N)cc2)CC1	ZINC000048217826	522695826	/nfs/dbraw/zinc/69/58/26/522695826.db2.gz	WNOZSGYXIJBLNT-UHFFFAOYSA-N	1	0	360.527	1.935	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)NCCOc2ccc(C#N)cc2)CC1	ZINC000074659362	522815185	/nfs/dbraw/zinc/81/51/85/522815185.db2.gz	NPZACKVTCALHGG-QGZVFWFLSA-N	1	0	373.501	1.510	20	30		FDEDRO
N#Cc1cccc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000065978358	522931101	/nfs/dbraw/zinc/93/11/01/522931101.db2.gz	MQODZXCLTQZUIW-UHFFFAOYSA-N	1	0	360.395	1.535	20	30		FDEDRO
COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000075674721	522956002	/nfs/dbraw/zinc/95/60/02/522956002.db2.gz	LEPCCGDJUQWNJV-KRWDZBQOSA-N	1	0	359.386	1.172	20	30		FDEDRO
N#CCc1ccc(NC(=O)NCCCC[NH+]2CCC(C(N)=O)CC2)cc1	ZINC000076084121	523020640	/nfs/dbraw/zinc/02/06/40/523020640.db2.gz	OUNKOFZUZLMCHH-UHFFFAOYSA-N	1	0	357.458	1.852	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(Cn3cccn3)c2)CC1	ZINC000076512755	523127543	/nfs/dbraw/zinc/12/75/43/523127543.db2.gz	YOBLIZSWFSEXRX-UHFFFAOYSA-N	1	0	367.453	1.637	20	30		FDEDRO
COc1cc(C#N)ccc1OCCN1CCN([C@@H]2CCC[N@H+](C)C2)CC1	ZINC000077316328	523293336	/nfs/dbraw/zinc/29/33/36/523293336.db2.gz	OZEYLCNYKSMZAL-GOSISDBHSA-N	1	0	358.486	1.657	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC1([NH+](C)C)CCCC1	ZINC000067322089	523390310	/nfs/dbraw/zinc/39/03/10/523390310.db2.gz	FFTGJAKFEUGQCY-UHFFFAOYSA-N	1	0	358.442	1.886	20	30		FDEDRO
C[N@H+](CCNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1)C1CC1	ZINC000077769970	523457600	/nfs/dbraw/zinc/45/76/00/523457600.db2.gz	IYSRODPFKWSOTD-UHFFFAOYSA-N	1	0	362.433	1.630	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNc1nc2c(c(=O)[nH]c(=O)n2C)n1C)C(C)C	ZINC000053557105	523462775	/nfs/dbraw/zinc/46/27/75/523462775.db2.gz	HDAALXXRNLSLMR-CYBMUJFWSA-N	1	0	360.462	1.071	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1	ZINC000067546839	523490906	/nfs/dbraw/zinc/49/09/06/523490906.db2.gz	UOIQSDIOPILUIZ-GOSISDBHSA-N	1	0	374.485	1.817	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)NC1CC[NH+](CCc2ccccc2)CC1	ZINC000078868446	523662189	/nfs/dbraw/zinc/66/21/89/523662189.db2.gz	BLELJVPOCKCIPI-UHFFFAOYSA-N	1	0	350.488	1.373	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCN3CCCC3=O)CC2)cc1	ZINC000068097314	523692482	/nfs/dbraw/zinc/69/24/82/523692482.db2.gz	KIJSRAUOFGJNOQ-UHFFFAOYSA-N	1	0	354.454	1.605	20	30		FDEDRO
Cn1c(Nc2ccc(CC[NH+]3CCCCC3)cc2)c(C#N)c(=O)n(C)c1=O	ZINC000054838757	523706561	/nfs/dbraw/zinc/70/65/61/523706561.db2.gz	XMLAWKNWNFAYIF-UHFFFAOYSA-N	1	0	367.453	1.728	20	30		FDEDRO
C[NH+]=C(NCCc1nnc2n1CCCCC2)NCc1ccc2c(c1)OCO2	ZINC000079331679	523738856	/nfs/dbraw/zinc/73/88/56/523738856.db2.gz	BNFPTCNMSZSZIY-UHFFFAOYSA-N	1	0	370.457	1.641	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(CCC(=O)OCC)Cc2cccnc2)CC1	ZINC000068242603	523740138	/nfs/dbraw/zinc/74/01/38/523740138.db2.gz	FEGUIGYCXILXDC-UHFFFAOYSA-N	1	0	357.454	1.709	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)c2ccccc2OCC[NH+](C)C)CC1	ZINC000068327283	523760421	/nfs/dbraw/zinc/76/04/21/523760421.db2.gz	YMPFDDQOTVAWMY-GOSISDBHSA-N	1	0	358.486	1.933	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CNC(=O)c1cc2ccccc2[nH]1	ZINC000079757192	523790098	/nfs/dbraw/zinc/79/00/98/523790098.db2.gz	BSYSSFRCYVDXLR-UHFFFAOYSA-N	1	0	355.442	1.592	20	30		FDEDRO
COc1ccccc1CNC(=O)CO[NH+]=C(N)c1ccc(N(C)C)cc1	ZINC000079863509	523799215	/nfs/dbraw/zinc/79/92/15/523799215.db2.gz	GAGNIZDAHGKAJZ-UHFFFAOYSA-N	1	0	356.426	1.715	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2sccc2S(=O)(=O)N(C)C)CC1	ZINC000110734386	524131519	/nfs/dbraw/zinc/13/15/19/524131519.db2.gz	JAPMSYVROCSDME-UHFFFAOYSA-N	1	0	371.528	1.769	20	30		FDEDRO
CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000121050663	524136016	/nfs/dbraw/zinc/13/60/16/524136016.db2.gz	GTQMNRKLTSGMMJ-UHFFFAOYSA-N	1	0	356.348	1.926	20	30		FDEDRO
CN1CC[NH+](CC2CCN(C(=O)Cc3ccc(OCC#N)cc3)CC2)CC1	ZINC000110845678	524146105	/nfs/dbraw/zinc/14/61/05/524146105.db2.gz	AEBKIRHPFUXAGY-UHFFFAOYSA-N	1	0	370.497	1.617	20	30		FDEDRO
CC[N@@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C[C@@H]1CCCO1	ZINC000172172379	524146257	/nfs/dbraw/zinc/14/62/57/524146257.db2.gz	VPACFBBTCWSQCE-HNNXBMFYSA-N	1	0	361.446	1.004	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CCN(c3ccccc3)C2=O)CC1	ZINC000110912900	524161655	/nfs/dbraw/zinc/16/16/55/524161655.db2.gz	DGDDCBNYKJEIQX-LJQANCHMSA-N	1	0	353.466	1.986	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1	ZINC000081671172	524167544	/nfs/dbraw/zinc/16/75/44/524167544.db2.gz	RMFHOOYJWHTZOF-UHFFFAOYSA-N	1	0	351.454	1.574	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3F)CC2)CCO1	ZINC000136021327	524179447	/nfs/dbraw/zinc/17/94/47/524179447.db2.gz	SOGMAAGGGLOJEM-CYBMUJFWSA-N	1	0	374.416	1.348	20	30		FDEDRO
CC(C)OCC[NH+]1CCC(NC(=O)C#Cc2ccc3c(c2)OCO3)CC1	ZINC000136314484	524195210	/nfs/dbraw/zinc/19/52/10/524195210.db2.gz	FLORIETYINOQIH-UHFFFAOYSA-N	1	0	358.438	1.772	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCCCC(=O)N2Cc3ccccc3C2)CC1	ZINC000111116159	524203081	/nfs/dbraw/zinc/20/30/81/524203081.db2.gz	WBBNBOYPBZJJJY-UHFFFAOYSA-N	1	0	353.466	1.770	20	30		FDEDRO
C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000157091524	524209024	/nfs/dbraw/zinc/20/90/24/524209024.db2.gz	RVNQNYGJWZNCIX-QAPCUYQASA-N	1	0	364.453	1.882	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCn3c(nnc3C(F)(F)F)C2)CC1	ZINC000172390370	524216274	/nfs/dbraw/zinc/21/62/74/524216274.db2.gz	AXKSWKRCPCJDKU-UHFFFAOYSA-N	1	0	358.368	1.473	20	30		FDEDRO
CN(CCc1ccccn1)C(=O)CNC(=[NH2+])N[C@@H]1CCOc2ccccc21	ZINC000083035431	524234766	/nfs/dbraw/zinc/23/47/66/524234766.db2.gz	NMKDAHINQKVNGZ-QGZVFWFLSA-N	1	0	367.453	1.511	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)CC1	ZINC000083216819	524244131	/nfs/dbraw/zinc/24/41/31/524244131.db2.gz	LBUNMHXWKJFRJG-KRWDZBQOSA-N	1	0	364.490	1.106	20	30		FDEDRO
C[C@@H](C(=O)NC(=O)Nc1ccccc1)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000121423592	524255456	/nfs/dbraw/zinc/25/54/56/524255456.db2.gz	VDFSGTGHMQXCBX-LBPRGKRZSA-N	1	0	369.429	1.465	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NC2CC[NH+](CC=C)CC2)cc1	ZINC000173274974	524360887	/nfs/dbraw/zinc/36/08/87/524360887.db2.gz	RSVDRLJIKAJRNF-UHFFFAOYSA-N	1	0	370.453	1.308	20	30		FDEDRO
CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccn(CCC#N)n2)C1	ZINC000086460107	524394467	/nfs/dbraw/zinc/39/44/67/524394467.db2.gz	ZKXLHGIDEKVKJU-OAHLLOKOSA-N	1	0	374.489	1.752	20	30		FDEDRO
C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC[N@@H+]1C	ZINC000121932628	524410548	/nfs/dbraw/zinc/41/05/48/524410548.db2.gz	KTCIHARSKMHODY-VXGBXAGGSA-N	1	0	352.416	1.570	20	30		FDEDRO
Cc1ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc1[N+](=O)[O-]	ZINC000122101907	524450752	/nfs/dbraw/zinc/45/07/52/524450752.db2.gz	WLQJFDZMAHIPFJ-UHFFFAOYSA-N	1	0	361.402	1.536	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccccc1N1CCCC1	ZINC000122129041	524457357	/nfs/dbraw/zinc/45/73/57/524457357.db2.gz	VWWHQIBJZQCXNJ-UHFFFAOYSA-N	1	0	371.485	1.919	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCc3cccc(C#N)c3)=[NH+]C[C@@H]2C1	ZINC000089120405	524476146	/nfs/dbraw/zinc/47/61/46/524476146.db2.gz	OZGILSBDMDBMOZ-MRXNPFEDSA-N	1	0	355.442	1.939	20	30		FDEDRO
Cc1nc(CCNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)cs1	ZINC000089120285	524477451	/nfs/dbraw/zinc/47/74/51/524477451.db2.gz	BFTLOMQVXSOPPY-CQSZACIVSA-N	1	0	365.503	1.875	20	30		FDEDRO
C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1C#N)CN1CC[NH+](C)CC1	ZINC000122255195	524491987	/nfs/dbraw/zinc/49/19/87/524491987.db2.gz	USADEYMVRJHWET-CYBMUJFWSA-N	1	0	370.906	1.373	20	30		FDEDRO
CC[NH+]1CCC(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1	ZINC000122312622	524506165	/nfs/dbraw/zinc/50/61/65/524506165.db2.gz	NZOSNCKKRDRQTJ-UHFFFAOYSA-N	1	0	366.443	1.867	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)C2CCN(CC(F)(F)F)CC2)c1C#N	ZINC000089675346	524520189	/nfs/dbraw/zinc/52/01/89/524520189.db2.gz	HTYMBSWYZOKMRW-UHFFFAOYSA-N	1	0	372.395	1.646	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H](C)NC(=O)C2CCCCC2)c1C#N	ZINC000089677678	524520403	/nfs/dbraw/zinc/52/04/03/524520403.db2.gz	OZRUXURSTPIWLZ-ZDUSSCGKSA-N	1	0	374.489	1.847	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]([NH+](CC)CC)C2)cc1	ZINC000174174774	524524020	/nfs/dbraw/zinc/52/40/20/524524020.db2.gz	VSAPKHVVRKTSKY-MRXNPFEDSA-N	1	0	363.483	1.154	20	30		FDEDRO
C[C@H]1CCC[C@](CNC(=O)CCNC(=O)C2N=CC=CC2=O)([NH+](C)C)C1	ZINC000174203782	524527702	/nfs/dbraw/zinc/52/77/02/524527702.db2.gz	VHXHVGGYTVZOHZ-UHBUAQORSA-N	1	0	362.474	1.530	20	30		FDEDRO
CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1ccc(C#N)cc1F	ZINC000151159501	524529899	/nfs/dbraw/zinc/52/98/99/524529899.db2.gz	VXULEQPERCGRSG-UHFFFAOYSA-N	1	0	357.451	1.676	20	30		FDEDRO
Cc1ccccc1CCNC(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000089942776	524553262	/nfs/dbraw/zinc/55/32/62/524553262.db2.gz	GLASWWBPYQECLK-HNNXBMFYSA-N	1	0	368.485	1.784	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)N[C@@H](c1ccccc1)C1CC1	ZINC000089943842	524556995	/nfs/dbraw/zinc/55/69/95/524556995.db2.gz	YCGOFLXYOGYXQM-IBGZPJMESA-N	1	0	366.469	1.995	20	30		FDEDRO
C=CCC[C@H](O)C[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1	ZINC000122787326	524618006	/nfs/dbraw/zinc/61/80/06/524618006.db2.gz	GCZPPSWOENECJN-INIZCTEOSA-N	1	0	356.463	1.896	20	30		FDEDRO
N#Cc1cnc(N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cn1	ZINC000123062854	524672244	/nfs/dbraw/zinc/67/22/44/524672244.db2.gz	FNHMJDPHIRURSC-KRWDZBQOSA-N	1	0	363.469	1.782	20	30		FDEDRO
CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C1	ZINC000091242224	524677862	/nfs/dbraw/zinc/67/78/62/524677862.db2.gz	QODVJLJGEBOQJS-AWEZNQCLSA-N	1	0	360.462	1.464	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)C2CC[NH+](C(C)C)CC2)CC1	ZINC000091553724	524724239	/nfs/dbraw/zinc/72/42/39/524724239.db2.gz	UPHGDUOZUGMLDV-LJQANCHMSA-N	1	0	363.550	1.483	20	30		FDEDRO
CCC[N@@H+](CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C[C@H]1CCCCO1	ZINC000091619085	524740680	/nfs/dbraw/zinc/74/06/80/524740680.db2.gz	QMYIMSSGSIXQRB-MOPGFXCFSA-N	1	0	364.534	1.960	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)CC1	ZINC000091629008	524747812	/nfs/dbraw/zinc/74/78/12/524747812.db2.gz	LWGMVOBBVLHAEU-FHWLQOOXSA-N	1	0	372.517	1.458	20	30		FDEDRO
Cc1ccc(/N=C2\NC(=O)C(CC(=O)NCCC[NH+](C)C)S2)cc1C	ZINC000174892029	524781462	/nfs/dbraw/zinc/78/14/62/524781462.db2.gz	VVQVMSZWWALNGL-OAHLLOKOSA-N	1	0	362.499	1.981	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@]2(C)CC[NH2+]C2)cc1	ZINC000152220476	524815842	/nfs/dbraw/zinc/81/58/42/524815842.db2.gz	OSRKLOZMLVGSHH-AWZALFRUSA-N	1	0	364.471	1.438	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1	ZINC000114589025	524835939	/nfs/dbraw/zinc/83/59/39/524835939.db2.gz	FNYYLGHPQQRJRB-LJQANCHMSA-N	1	0	373.501	1.374	20	30		FDEDRO
C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCC(=O)N(C)CCC#N	ZINC000092793551	524918552	/nfs/dbraw/zinc/91/85/52/524918552.db2.gz	VJQNUEZLJXENEM-ZDUSSCGKSA-N	1	0	352.460	1.089	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)CC1	ZINC000092823140	524919091	/nfs/dbraw/zinc/91/90/91/524919091.db2.gz	IBFVJGFPAXAELC-UHFFFAOYSA-N	1	0	356.430	1.343	20	30		FDEDRO
N#Cc1ccc(OC2CN(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)cc1	ZINC000152551445	524923378	/nfs/dbraw/zinc/92/33/78/524923378.db2.gz	HKFWEQANIJIDDW-NVXWUHKLSA-N	1	0	356.426	1.194	20	30		FDEDRO
C=CCSCCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1	ZINC000124195922	524925975	/nfs/dbraw/zinc/92/59/75/524925975.db2.gz	XDJMTLZPJXWRIQ-SJPCQFCGSA-N	1	0	352.548	1.858	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNC(=O)COc2ccccc2C#N)ccn1	ZINC000124213257	524930500	/nfs/dbraw/zinc/93/05/00/524930500.db2.gz	JHJDANCLBWXETP-UHFFFAOYSA-N	1	0	354.410	1.589	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)c2ccc(C#N)nc2)CC1	ZINC000115383800	524980799	/nfs/dbraw/zinc/98/07/99/524980799.db2.gz	JOUFRYIXBWNLMT-UHFFFAOYSA-N	1	0	371.485	1.654	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000152863751	525032210	/nfs/dbraw/zinc/03/22/10/525032210.db2.gz	VMRDPJDJGDEVMA-IUODEOHRSA-N	1	0	355.410	1.941	20	30		FDEDRO
N#Cc1ccc([C@H]([NH2+]CCCNC(=O)c2cccc(F)c2)C(N)=O)cc1	ZINC000115599971	525034162	/nfs/dbraw/zinc/03/41/62/525034162.db2.gz	BZYULEGNPJVHHS-KRWDZBQOSA-N	1	0	354.385	1.633	20	30		FDEDRO
COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1C#N)CC2	ZINC000124693060	525053487	/nfs/dbraw/zinc/05/34/87/525053487.db2.gz	XEGZFJMJGYADRP-OCCSQVGLSA-N	1	0	354.414	1.228	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cc1	ZINC000161259357	525065702	/nfs/dbraw/zinc/06/57/02/525065702.db2.gz	NVAWXNZRDBGEBP-HOCLYGCPSA-N	1	0	358.360	1.933	20	30		FDEDRO
C=C(C)COCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1	ZINC000161342530	525085467	/nfs/dbraw/zinc/08/54/67/525085467.db2.gz	FZFDBTZHAQXCLX-UHFFFAOYSA-N	1	0	359.470	1.972	20	30		FDEDRO
CN(C)C(=O)C[NH+]=C(NCc1ccoc1)N[C@@H]1CCOc2ccccc21	ZINC000176376950	525089415	/nfs/dbraw/zinc/08/94/15/525089415.db2.gz	IIUVGYQTKLQAPS-MRXNPFEDSA-N	1	0	356.426	1.927	20	30		FDEDRO
C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000161416955	525105552	/nfs/dbraw/zinc/10/55/52/525105552.db2.gz	CCBVDWLSAKWCAT-CYBMUJFWSA-N	1	0	365.377	1.168	20	30		FDEDRO
CC1CC[NH+](C[C@H](O)CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1	ZINC000161688885	525152407	/nfs/dbraw/zinc/15/24/07/525152407.db2.gz	AQGJAGJLBYMFJU-CQSZACIVSA-N	1	0	371.890	1.583	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2ccc(CNS(C)(=O)=O)o2)CC1	ZINC000176622607	525156839	/nfs/dbraw/zinc/15/68/39/525156839.db2.gz	VAFMPZMHSZTISD-UHFFFAOYSA-N	1	0	355.460	1.099	20	30		FDEDRO
C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1	ZINC000125184329	525158184	/nfs/dbraw/zinc/15/81/84/525158184.db2.gz	PMHMPFHSWWIVMJ-NWDGAFQWSA-N	1	0	352.416	1.618	20	30		FDEDRO
CC(C)[N@H+]1C[C@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)[C@@H](C)C1	ZINC000176843714	525187355	/nfs/dbraw/zinc/18/73/55/525187355.db2.gz	RTUGQDAEFYFGRJ-RDJZCZTQSA-N	1	0	356.474	1.514	20	30		FDEDRO
CC[NH+]=C(NC[C@@H](O)c1ccc(Cl)cc1)N[C@@H]1CCc2ncnn2C1	ZINC000153399070	525200640	/nfs/dbraw/zinc/20/06/40/525200640.db2.gz	YBBKWDQCOOGLRJ-HUUCEWRRSA-N	1	0	362.865	1.535	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1	ZINC000176957134	525206547	/nfs/dbraw/zinc/20/65/47/525206547.db2.gz	GQVBJAHJBZEHBD-UHFFFAOYSA-N	1	0	366.424	1.596	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2cn3ccccc3c2C#N)CC1	ZINC000162214499	525230535	/nfs/dbraw/zinc/23/05/35/525230535.db2.gz	YKGJOARSWXKXTD-IBGZPJMESA-N	1	0	351.454	1.549	20	30		FDEDRO
C=CCn1c(SCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)n[nH]c1=O	ZINC000177100669	525236112	/nfs/dbraw/zinc/23/61/12/525236112.db2.gz	OKHFGUNITCXCNR-AWEZNQCLSA-N	1	0	361.471	1.269	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1	ZINC000153654149	525275847	/nfs/dbraw/zinc/27/58/47/525275847.db2.gz	NAAYANRXYWQYQN-PKOBYXMFSA-N	1	0	366.465	1.763	20	30		FDEDRO
CCO[C@@H]1C[C@@H](O)C12CC[NH+](C[C@H](O)COc1ccc(CC#N)cc1)CC2	ZINC000153655226	525277662	/nfs/dbraw/zinc/27/76/62/525277662.db2.gz	YFYRLBDMGOUNPL-DFQSSKMNSA-N	1	0	374.481	1.744	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1	ZINC000153810729	525331109	/nfs/dbraw/zinc/33/11/09/525331109.db2.gz	WAPRJSGIVNCUPL-KGLIPLIRSA-N	1	0	352.479	1.259	20	30		FDEDRO
CN(C)c1cccc(CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)n1	ZINC000162900966	525333675	/nfs/dbraw/zinc/33/36/75/525333675.db2.gz	YQSQPYNENJRJAD-UHFFFAOYSA-N	1	0	362.478	1.515	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(C)CC2CC[NH+](C)CC2)c1	ZINC000103453960	525355163	/nfs/dbraw/zinc/35/51/63/525355163.db2.gz	CVNFUOFVDFFICD-UHFFFAOYSA-N	1	0	365.499	1.565	20	30		FDEDRO
C=C(C)CNC(=O)C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000126877835	525362299	/nfs/dbraw/zinc/36/22/99/525362299.db2.gz	IHLWQXJKINWALK-QGZVFWFLSA-N	1	0	367.453	1.961	20	30		FDEDRO
N#Cc1ccc(CSCC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1	ZINC000178109107	525383842	/nfs/dbraw/zinc/38/38/42/525383842.db2.gz	RQCWNOXMUFYLFO-SFHVURJKSA-N	1	0	359.495	1.972	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1	ZINC000178210586	525396808	/nfs/dbraw/zinc/39/68/08/525396808.db2.gz	GUCQAJZNXRBZDW-KRWDZBQOSA-N	1	0	359.857	1.907	20	30		FDEDRO
Cc1nn(-c2ccccc2)c(C)c1CNC(=[NH2+])NCCCN1CCOCC1	ZINC000104156985	525398277	/nfs/dbraw/zinc/39/82/77/525398277.db2.gz	INXWEBQNUNAYOP-UHFFFAOYSA-N	1	0	370.501	1.616	20	30		FDEDRO
CC(C)CN(CC[NH+](C)C)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000104529609	525418143	/nfs/dbraw/zinc/41/81/43/525418143.db2.gz	ZSPFRDOKQWUUKG-UHFFFAOYSA-N	1	0	354.458	1.986	20	30		FDEDRO
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1c(F)cc(C#N)cc1F	ZINC000154389885	525518072	/nfs/dbraw/zinc/51/80/72/525518072.db2.gz	VXEGMXAAZIFERG-UHFFFAOYSA-N	1	0	350.413	1.934	20	30		FDEDRO
C[NH+]1CCN(Cc2ccc(CNS(=O)(=O)CC3(C#N)CC3)cc2)CC1	ZINC000164695085	525523720	/nfs/dbraw/zinc/52/37/20/525523720.db2.gz	KQTSBIYVHCUPGG-UHFFFAOYSA-N	1	0	362.499	1.157	20	30		FDEDRO
C[NH+]=C(NCCNS(C)(=O)=O)N[C@@H]1CC(C)(C)Oc2ccccc21	ZINC000179233146	525547689	/nfs/dbraw/zinc/54/76/89/525547689.db2.gz	RWKREKCJUQDAQG-CYBMUJFWSA-N	1	0	354.476	1.003	20	30		FDEDRO
N#Cc1cc(NC(=O)NCCCC[NH+]2CCN(CCO)CC2)ccc1F	ZINC000118818438	525550658	/nfs/dbraw/zinc/55/06/58/525550658.db2.gz	BBOJFUOUSMGFJR-UHFFFAOYSA-N	1	0	363.437	1.209	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CNC(=O)NCc2ccc(F)cc2)CC1	ZINC000106037391	525553305	/nfs/dbraw/zinc/55/33/05/525553305.db2.gz	ISRJZIUWXOIDPX-UHFFFAOYSA-N	1	0	362.449	1.782	20	30		FDEDRO
C[NH+]=C(NCc1cccc(N2CC=CC2)c1)N[C@@H]1CCc2ncnn2C1	ZINC000128528342	525553435	/nfs/dbraw/zinc/55/34/35/525553435.db2.gz	GEGUIVKEAMQLPJ-MRXNPFEDSA-N	1	0	351.458	1.334	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Cn2c3ccccc3n(CC)c2=O)CC1	ZINC000106037913	525554298	/nfs/dbraw/zinc/55/42/98/525554298.db2.gz	AWALVFTYOQDTHZ-UHFFFAOYSA-N	1	0	356.470	1.980	20	30		FDEDRO
CCC[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2C)CCN1CCOC	ZINC000179391704	525573413	/nfs/dbraw/zinc/57/34/13/525573413.db2.gz	VFTGGHYPAIOWBK-QGZVFWFLSA-N	1	0	372.469	1.765	20	30		FDEDRO
N#Cc1cccc(C[NH2+]C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)c1	ZINC000166300235	525578439	/nfs/dbraw/zinc/57/84/39/525578439.db2.gz	CRPFEUJDYKIKCW-QGZVFWFLSA-N	1	0	351.406	1.972	20	30		FDEDRO
C[NH+]=C(NCc1cn(C)nc1C(F)(F)F)N1CCC(C(=O)OC)CC1	ZINC000154680761	525609606	/nfs/dbraw/zinc/60/96/06/525609606.db2.gz	CGPCFSDZNDBGOF-UHFFFAOYSA-N	1	0	361.368	1.399	20	30		FDEDRO
C=C[C@@H](C)Nc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-]	ZINC000129309756	525640779	/nfs/dbraw/zinc/64/07/79/525640779.db2.gz	YLWQJFXORWHJCM-GFCCVEGCSA-N	1	0	356.448	1.811	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCC(=O)N(C)Cc2ccccc2)CC1	ZINC000106263606	525684725	/nfs/dbraw/zinc/68/47/25/525684725.db2.gz	YEZVSXVLZADQER-UHFFFAOYSA-N	1	0	358.486	1.985	20	30		FDEDRO
CC(C)[C@H](C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)[NH+](C)C	ZINC000106430274	525723527	/nfs/dbraw/zinc/72/35/27/525723527.db2.gz	LMBRDEOYMXAGJX-GOSISDBHSA-N	1	0	368.485	1.961	20	30		FDEDRO
CCn1cc(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cn1	ZINC000155115374	525749538	/nfs/dbraw/zinc/74/95/38/525749538.db2.gz	OBNSJHFOSYWSMH-UHFFFAOYSA-N	1	0	353.426	1.548	20	30		FDEDRO
C[NH+]=C(NCCc1nc(C(F)(F)F)cs1)N[C@H]1CCc2ncnn2C1	ZINC000130579765	525773746	/nfs/dbraw/zinc/77/37/46/525773746.db2.gz	DNWZHAZKJPBILF-VIFPVBQESA-N	1	0	373.408	1.476	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1	ZINC000181031283	525793966	/nfs/dbraw/zinc/79/39/66/525793966.db2.gz	LVDFVVHPCLQHIU-CQSZACIVSA-N	1	0	353.488	1.670	20	30		FDEDRO
C[C@H](C#N)CNc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-]	ZINC000181126514	525810326	/nfs/dbraw/zinc/81/03/26/525810326.db2.gz	GAKPAYPGVRQEGF-GFCCVEGCSA-N	1	0	369.447	1.396	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)[C@@H]1CCSC1	ZINC000155320466	525823719	/nfs/dbraw/zinc/82/37/19/525823719.db2.gz	DCGAMENKZLLSGL-OAHLLOKOSA-N	1	0	362.474	1.783	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCC[NH+]1CCCCCC1	ZINC000181666050	525886973	/nfs/dbraw/zinc/88/69/73/525886973.db2.gz	YZTNECZFCBKSOO-OAHLLOKOSA-N	1	0	358.442	1.908	20	30		FDEDRO
COCC[N@H+](C)CCNC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000171193962	525889651	/nfs/dbraw/zinc/88/96/51/525889651.db2.gz	HBYKNXDSZRLZOW-UHFFFAOYSA-N	1	0	357.376	1.934	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1	ZINC000181683783	525890117	/nfs/dbraw/zinc/89/01/17/525890117.db2.gz	KJZHSORJMCWGDO-MJGOQNOKSA-N	1	0	372.469	1.574	20	30		FDEDRO
C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CCC(=O)N(C)CCC#N	ZINC000131854188	525910791	/nfs/dbraw/zinc/91/07/91/525910791.db2.gz	HTOMOAAYCIKYDY-ZDUSSCGKSA-N	1	0	352.460	1.089	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1	ZINC000108389677	525962788	/nfs/dbraw/zinc/96/27/88/525962788.db2.gz	LOEXQIAVGWHAQE-GUYCJALGSA-N	1	0	363.433	1.971	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2O)CC1	ZINC000171566107	526038623	/nfs/dbraw/zinc/03/86/23/526038623.db2.gz	XXTQZTILZMUVOC-QGZVFWFLSA-N	1	0	357.454	1.763	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)CC1	ZINC000171565903	526039546	/nfs/dbraw/zinc/03/95/46/526039546.db2.gz	XGMPGGDHBGQPJP-HXUWFJFHSA-N	1	0	357.498	1.951	20	30		FDEDRO
C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000120472977	526077980	/nfs/dbraw/zinc/07/79/80/526077980.db2.gz	KQSTUHSXCHKCFT-PBHICJAKSA-N	1	0	363.483	1.272	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1	ZINC000171719678	526091175	/nfs/dbraw/zinc/09/11/75/526091175.db2.gz	JQBMQRWRGNXBDF-OAHLLOKOSA-N	1	0	357.454	1.815	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccccc2CN2C(=O)CCC2=O)CC1	ZINC000120591066	526118372	/nfs/dbraw/zinc/11/83/72/526118372.db2.gz	FXTPDFUVOHXROL-UHFFFAOYSA-N	1	0	353.422	1.619	20	30		FDEDRO
CCN1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1	ZINC000120795897	526184361	/nfs/dbraw/zinc/18/43/61/526184361.db2.gz	SIQSDIOIMLZEJX-UHFFFAOYSA-N	1	0	362.433	1.584	20	30		FDEDRO
CC[C@H](CO)[NH+]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000182814822	535867150	/nfs/dbraw/zinc/86/71/50/535867150.db2.gz	ZNWAJVHCLOIFPD-IEBWSBKVSA-N	1	0	356.470	1.442	20	30		FDEDRO
CC[C@@H](CO)[NH+]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000182814804	535867519	/nfs/dbraw/zinc/86/75/19/535867519.db2.gz	ZNWAJVHCLOIFPD-PKOBYXMFSA-N	1	0	356.470	1.442	20	30		FDEDRO
C[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C[C@H]1CCOC1	ZINC000183184469	535938636	/nfs/dbraw/zinc/93/86/36/535938636.db2.gz	YKZKYVLIITTXQB-CVEARBPZSA-N	1	0	362.499	1.425	20	30		FDEDRO
COC[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(F)c(F)c1	ZINC000183272207	535954074	/nfs/dbraw/zinc/95/40/74/535954074.db2.gz	JLRYGCHKJUPGFV-UPTRSRDDSA-N	1	0	351.353	1.768	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCC2CC[NH+](CCO)CC2)c(Cl)c1	ZINC000183698168	536032044	/nfs/dbraw/zinc/03/20/44/536032044.db2.gz	TUNFWLSCQBUKFO-UHFFFAOYSA-N	1	0	357.863	1.194	20	30		FDEDRO
C[C@H](CNS(=O)(=O)c1ccc(C#N)cc1Cl)N1CC[NH+](C)CC1	ZINC000183719109	536036175	/nfs/dbraw/zinc/03/61/75/536036175.db2.gz	ORKBNEDIHUXSQB-GFCCVEGCSA-N	1	0	356.879	1.126	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1cncnc1N(C)C)C(C)C	ZINC000184433950	536151545	/nfs/dbraw/zinc/15/15/45/536151545.db2.gz	SOLZUPFNIWZMOG-INIZCTEOSA-N	1	0	374.489	1.296	20	30		FDEDRO
C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000185333004	536205853	/nfs/dbraw/zinc/20/58/53/536205853.db2.gz	KTWRRKRMSXBOBN-CYBMUJFWSA-N	1	0	370.906	1.516	20	30		FDEDRO
CC(C)[NH+]=C(NCC(=O)N(C)C)N(C)Cc1nc2c(s1)CCCC2	ZINC000185503939	536210390	/nfs/dbraw/zinc/21/03/90/536210390.db2.gz	AWYVDZNKXRHDHS-UHFFFAOYSA-N	1	0	351.520	1.896	20	30		FDEDRO
CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2OC)C1	ZINC000185799672	536217918	/nfs/dbraw/zinc/21/79/18/536217918.db2.gz	NQXJDMWEDQWNHS-HNNXBMFYSA-N	1	0	351.472	1.919	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)ccc1F	ZINC000186694399	536241525	/nfs/dbraw/zinc/24/15/25/536241525.db2.gz	JHHJLLGDUCLUJX-SMDDNHRTSA-N	1	0	355.435	1.018	20	30		FDEDRO
C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000246220210	536903074	/nfs/dbraw/zinc/90/30/74/536903074.db2.gz	YZIMCRSPOPOQJD-KWSDBUHTSA-N	1	0	362.474	1.386	20	30		FDEDRO
C[C@H]1C[C@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)CC[NH2+]1	ZINC000262806211	536906776	/nfs/dbraw/zinc/90/67/76/536906776.db2.gz	SHEKSROWYCXFIS-JOYOIKCWSA-N	1	0	358.261	1.740	20	30		FDEDRO
CC[C@H]1CN(CC(=O)Nc2sc(C)c(C)c2C#N)CC[N@@H+]1C[C@H](C)O	ZINC000246366308	536937937	/nfs/dbraw/zinc/93/79/37/536937937.db2.gz	NMEAOPUJJHKFGE-WFASDCNBSA-N	1	0	364.515	1.952	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1	ZINC000246472774	536961089	/nfs/dbraw/zinc/96/10/89/536961089.db2.gz	QDHRLZNBKMFOBY-BZUAXINKSA-N	1	0	371.489	1.441	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N(CC)CCC[NH+](C)C)c1	ZINC000188932704	536972346	/nfs/dbraw/zinc/97/23/46/536972346.db2.gz	VQTZJGHMLYBZIS-UHFFFAOYSA-N	1	0	351.472	1.012	20	30		FDEDRO
CC[NH+]=C(NCCN1c2ccccc2C[C@H]1C)N1CCN(C(C)=O)CC1	ZINC000263236030	536997528	/nfs/dbraw/zinc/99/75/28/536997528.db2.gz	JNTJMNSHMAPDCE-MRXNPFEDSA-N	1	0	357.502	1.567	20	30		FDEDRO
C[NH+]=C(NC[C@@H](c1cccs1)N1CCCC1)N1CCN(C(C)=O)CC1	ZINC000263258143	537003110	/nfs/dbraw/zinc/00/31/10/537003110.db2.gz	RQRNSBSTPHODIH-INIZCTEOSA-N	1	0	363.531	1.625	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C	ZINC000189141712	537004027	/nfs/dbraw/zinc/00/40/27/537004027.db2.gz	RCFSPSZXMBESFP-HNNXBMFYSA-N	1	0	360.458	1.882	20	30		FDEDRO
[NH2+]=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)N1CCOCC1	ZINC000263278448	537008069	/nfs/dbraw/zinc/00/80/69/537008069.db2.gz	ZGBDIHNIUKKILT-UHFFFAOYSA-N	1	0	366.487	1.008	20	30		FDEDRO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@@H](N2CCOCC2)C1	ZINC000246839264	537036802	/nfs/dbraw/zinc/03/68/02/537036802.db2.gz	DHOJVEDZYCMKPU-UONOGXRCSA-N	1	0	374.510	1.842	20	30		FDEDRO
Cc1cc2c(ncnc2N2CC[NH+](CCC(=O)N(C)CCC#N)CC2)s1	ZINC000189530767	537060460	/nfs/dbraw/zinc/06/04/60/537060460.db2.gz	NNEDJWOTYXDBJD-UHFFFAOYSA-N	1	0	372.498	1.884	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)[C@@H](C)C1	ZINC000247238313	537099554	/nfs/dbraw/zinc/09/95/54/537099554.db2.gz	OMWODBYGJVMWOO-YJBOKZPZSA-N	1	0	372.469	1.750	20	30		FDEDRO
COc1cc(/C=C/C(=O)NC[C@H](C)N2CC[NH+](C)CC2)ccc1OCC#N	ZINC000263794846	537101922	/nfs/dbraw/zinc/10/19/22/537101922.db2.gz	RPWSDRCROXADKE-YERXGYGTSA-N	1	0	372.469	1.363	20	30		FDEDRO
[NH2+]=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC1CCCCC1	ZINC000264100131	537137312	/nfs/dbraw/zinc/13/73/12/537137312.db2.gz	NWBDQENEPILLCO-UHFFFAOYSA-N	1	0	369.447	1.110	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1	ZINC000264553461	537145737	/nfs/dbraw/zinc/14/57/37/537145737.db2.gz	KDJVHIQNUFRSLE-HUUCEWRRSA-N	1	0	360.433	1.797	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCCN(C(N)=O)CC2)c(OC)c1	ZINC000264923274	537150081	/nfs/dbraw/zinc/15/00/81/537150081.db2.gz	KWHAXMAMOUCIKS-MRXNPFEDSA-N	1	0	363.458	1.250	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1	ZINC000265488626	537153177	/nfs/dbraw/zinc/15/31/77/537153177.db2.gz	AVEUDBHNXOFRQF-UHFFFAOYSA-N	1	0	351.472	1.601	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)NCCSCc2ccccc2C#N)C1	ZINC000265634102	537163328	/nfs/dbraw/zinc/16/33/28/537163328.db2.gz	SKRXQBWLCXIOSA-QGZVFWFLSA-N	1	0	362.499	1.811	20	30		FDEDRO
C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)c1	ZINC000265765792	537172332	/nfs/dbraw/zinc/17/23/32/537172332.db2.gz	HOZQIWQJYHCIDV-MRXNPFEDSA-N	1	0	361.442	1.417	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1	ZINC000190762507	537185520	/nfs/dbraw/zinc/18/55/20/537185520.db2.gz	DQAVXOCCQJCNGW-UHFFFAOYSA-N	1	0	359.470	1.924	20	30		FDEDRO
N#CCOc1ccc(/C=C/C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1	ZINC000266202620	537191073	/nfs/dbraw/zinc/19/10/73/537191073.db2.gz	HVRAHWPSIQHZNF-PXPSOEEZSA-N	1	0	355.438	1.783	20	30		FDEDRO
Cn1cc(CN2CCN(CC(=O)NCc3ccccc3)CC2)cc1C#N	ZINC000191206329	537199498	/nfs/dbraw/zinc/19/94/98/537199498.db2.gz	OFMCZGLLLZNMPD-UHFFFAOYSA-N	1	0	351.454	1.331	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000248800334	537212981	/nfs/dbraw/zinc/21/29/81/537212981.db2.gz	QCFXUZZVMDEJPC-ROUUACIJSA-N	1	0	369.469	1.443	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(C#N)nc1	ZINC000248924840	537221331	/nfs/dbraw/zinc/22/13/31/537221331.db2.gz	XAXZVXFAHRPZQD-RDTXWAMCSA-N	1	0	356.451	1.752	20	30		FDEDRO
CC(C)[N@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000192325502	537223090	/nfs/dbraw/zinc/22/30/90/537223090.db2.gz	XTRGMZPDEWQXPK-QGZVFWFLSA-N	1	0	357.458	1.299	20	30		FDEDRO
N#C[C@@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000192763345	537232692	/nfs/dbraw/zinc/23/26/92/537232692.db2.gz	YUNVWCIJJTVTSM-OLZOCXBDSA-N	1	0	352.416	1.545	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)CN1CC[N@@H+](CC(C)(C)O)C[C@@H]1C	ZINC000249418997	537235310	/nfs/dbraw/zinc/23/53/10/537235310.db2.gz	WTMXRXQZRIICSX-PKOBYXMFSA-N	1	0	362.514	1.932	20	30		FDEDRO
CCc1nc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)sc1C	ZINC000193373945	537246305	/nfs/dbraw/zinc/24/63/05/537246305.db2.gz	RORHOXYKXJIWLU-UHFFFAOYSA-N	1	0	351.476	1.646	20	30		FDEDRO
CN(C)[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)c1ccsc1	ZINC000261989504	537253386	/nfs/dbraw/zinc/25/33/86/537253386.db2.gz	LHTDKLNWIHAGLG-OAHLLOKOSA-N	1	0	359.503	1.278	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)cc1	ZINC000363658295	537270384	/nfs/dbraw/zinc/27/03/84/537270384.db2.gz	AJAJVEAGMVKLNC-LJQANCHMSA-N	1	0	356.470	1.906	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCc2csc(CC)n2)CC1	ZINC000285791586	537285737	/nfs/dbraw/zinc/28/57/37/537285737.db2.gz	DEGVDHXLPXIGCZ-UHFFFAOYSA-N	1	0	364.515	1.521	20	30		FDEDRO
C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C#N)cn1	ZINC000293013688	537290285	/nfs/dbraw/zinc/29/02/85/537290285.db2.gz	HGDWERAIABJPRW-MRXNPFEDSA-N	1	0	351.410	1.181	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)c1C#N	ZINC000278399993	537313037	/nfs/dbraw/zinc/31/30/37/537313037.db2.gz	ONXWRGDWYINFFG-OAHLLOKOSA-N	1	0	358.442	1.422	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NCC1(C)CC[NH+](C)CC1	ZINC000272684322	537318908	/nfs/dbraw/zinc/31/89/08/537318908.db2.gz	MPUVELFHHBJVAR-UHFFFAOYSA-N	1	0	361.417	1.624	20	30		FDEDRO
CCCNC(=O)C[C@@H](C(N)=O)[N@H+](CCC)CCCOc1cccc(C#N)c1	ZINC000272764613	537329278	/nfs/dbraw/zinc/32/92/78/537329278.db2.gz	QZWXVZKASZVVSO-SFHVURJKSA-N	1	0	374.485	1.809	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@H]([C@H](C)O)C1)C(C)C	ZINC000283072034	537349299	/nfs/dbraw/zinc/34/92/99/537349299.db2.gz	FOSOWVNOTZUNIW-YESZJQIVSA-N	1	0	351.491	1.031	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccc(OCCC[NH+](C)C)cc1	ZINC000283111649	537355453	/nfs/dbraw/zinc/35/54/53/537355453.db2.gz	YGHJTLWBVJLMEB-HNNXBMFYSA-N	1	0	368.503	1.585	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@H]2NS(C)(=O)=O)CC1	ZINC000334078818	537371154	/nfs/dbraw/zinc/37/11/54/537371154.db2.gz	LWDJNHNGTAXLFR-JKSUJKDBSA-N	1	0	372.535	1.187	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC(c3ccc4c(c3)CCO4)=NO2)CC1	ZINC000283886460	537390482	/nfs/dbraw/zinc/39/04/82/537390482.db2.gz	WXIZEWLWJKYPIU-SFHVURJKSA-N	1	0	367.449	1.576	20	30		FDEDRO
C=CCCCNC(=O)C(=O)NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C	ZINC000283949795	537396380	/nfs/dbraw/zinc/39/63/80/537396380.db2.gz	FJVKTMDUXFFNGI-HNNXBMFYSA-N	1	0	363.458	1.505	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1	ZINC000290733102	537399692	/nfs/dbraw/zinc/39/96/92/537399692.db2.gz	WHVVWYHTLLZPPS-ZDUSSCGKSA-N	1	0	373.457	1.495	20	30		FDEDRO
CC#CCN(C)C(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1	ZINC000293260397	537403437	/nfs/dbraw/zinc/40/34/37/537403437.db2.gz	BPMFHBXUDOLSDO-UHFFFAOYSA-N	1	0	357.454	1.972	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(NC(C)=O)cc2)CC1	ZINC000284245801	537405405	/nfs/dbraw/zinc/40/54/05/537405405.db2.gz	FYWNEDMLTALATJ-UHFFFAOYSA-N	1	0	372.469	1.418	20	30		FDEDRO
CNC(=O)NC(=O)CC[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000195415247	537409082	/nfs/dbraw/zinc/40/90/82/537409082.db2.gz	YNHLGBWJITWLHK-UHFFFAOYSA-N	1	0	366.425	1.074	20	30		FDEDRO
CN(CC1([NH+](C)C)CCC1)C(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000365054115	537421520	/nfs/dbraw/zinc/42/15/20/537421520.db2.gz	RKHONNXCIJUPBE-SFHVURJKSA-N	1	0	368.481	1.992	20	30		FDEDRO
COC(=O)c1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)n1C	ZINC000293351650	537427026	/nfs/dbraw/zinc/42/70/26/537427026.db2.gz	TYLQCCSCZLVOAD-UHFFFAOYSA-N	1	0	368.437	1.887	20	30		FDEDRO
C=CCC[N@@H+](C)CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O	ZINC000276332448	537427742	/nfs/dbraw/zinc/42/77/42/537427742.db2.gz	BIGQMMHYYIEEAI-LJQANCHMSA-N	1	0	358.442	1.469	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000365098222	537429276	/nfs/dbraw/zinc/42/92/76/537429276.db2.gz	QPYOPMMDBHYNFR-MSOLQXFVSA-N	1	0	354.454	1.650	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cnc(C(F)(F)F)c(C#N)c1	ZINC000293404545	537443591	/nfs/dbraw/zinc/44/35/91/537443591.db2.gz	MUOLDFOEESEPBW-LLVKDONJSA-N	1	0	355.364	1.338	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000284606104	537451764	/nfs/dbraw/zinc/45/17/64/537451764.db2.gz	YTZACSPBFJDICY-GOSISDBHSA-N	1	0	359.470	1.476	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1	ZINC000299143717	537456048	/nfs/dbraw/zinc/45/60/48/537456048.db2.gz	JYKFOMVJARKFAU-UHFFFAOYSA-N	1	0	354.429	1.691	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1	ZINC000288428658	537500202	/nfs/dbraw/zinc/50/02/02/537500202.db2.gz	OECLTAMLMMYKHK-UHFFFAOYSA-N	1	0	373.497	1.684	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C	ZINC000288648661	537531600	/nfs/dbraw/zinc/53/16/00/537531600.db2.gz	QGONXGDUQMNTOH-INMHGKMJSA-N	1	0	350.488	1.575	20	30		FDEDRO
[NH2+]=C(NCCS(=O)(=O)NCC1CCC1)N[C@@H]1CCOc2ccccc21	ZINC000304756166	537598334	/nfs/dbraw/zinc/59/83/34/537598334.db2.gz	NLNFAYRFDPBPPT-OAHLLOKOSA-N	1	0	366.487	1.134	20	30		FDEDRO
COC(=O)c1ccsc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000275932990	537599279	/nfs/dbraw/zinc/59/92/79/537599279.db2.gz	VXIRHJKNTWRFSX-UHFFFAOYSA-N	1	0	366.443	1.167	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(C(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000363016932	537602188	/nfs/dbraw/zinc/60/21/88/537602188.db2.gz	ISJLXYGWDOOSDK-OWCLPIDISA-N	1	0	364.490	1.095	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)c1	ZINC000237092113	537611234	/nfs/dbraw/zinc/61/12/34/537611234.db2.gz	QVLJSXICSGHTDR-YCVWFKSCSA-N	1	0	364.471	1.565	20	30		FDEDRO
Cc1sc(NC(=O)CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(C#N)c1C	ZINC000363602225	537616292	/nfs/dbraw/zinc/61/62/92/537616292.db2.gz	FWYDYVURZMOQRT-CVEARBPZSA-N	1	0	362.499	1.706	20	30		FDEDRO
CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000277915044	537624019	/nfs/dbraw/zinc/62/40/19/537624019.db2.gz	QZDYJQOONZOYRN-PBHICJAKSA-N	1	0	356.470	1.942	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@H](CC(C)C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O	ZINC000294050732	537647293	/nfs/dbraw/zinc/64/72/93/537647293.db2.gz	UEPPZEBCSFCMBB-KURKYZTESA-N	1	0	373.497	1.424	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCC(c2c[nH]cn2)CC1	ZINC000330224394	537652259	/nfs/dbraw/zinc/65/22/59/537652259.db2.gz	NQBFYYWPMRARCK-QZTJIDSGSA-N	1	0	361.490	1.881	20	30		FDEDRO
Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000330231007	537652743	/nfs/dbraw/zinc/65/27/43/537652743.db2.gz	QVHDVFOSWCPKKG-XHSDSOJGSA-N	1	0	362.478	1.303	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](CCO)C2CCCCC2)nc1	ZINC000290036524	537655054	/nfs/dbraw/zinc/65/50/54/537655054.db2.gz	UKTAKHLPUQDNIV-INIZCTEOSA-N	1	0	351.472	1.648	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1	ZINC000291670634	537656404	/nfs/dbraw/zinc/65/64/04/537656404.db2.gz	GHDZZSMCXJTQJH-NRFANRHFSA-N	1	0	368.481	1.960	20	30		FDEDRO
C=CCc1cc(CN2CCC(NS(=O)(=O)NC)CC2)cc(OC)c1O	ZINC000291686630	537659678	/nfs/dbraw/zinc/65/96/78/537659678.db2.gz	XTKKVOBNJDRAMR-UHFFFAOYSA-N	1	0	369.487	1.148	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000294131338	537664527	/nfs/dbraw/zinc/66/45/27/537664527.db2.gz	NTKAPLLEYKVTCU-WMLDXEAASA-N	1	0	351.809	1.480	20	30		FDEDRO
COC(=O)[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C	ZINC000331021306	537664728	/nfs/dbraw/zinc/66/47/28/537664728.db2.gz	PKWOGTIPUAXUID-ARFHVFGLSA-N	1	0	355.479	1.388	20	30		FDEDRO
Cc1cnn([C@H]2CC[N@@H+](CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)C2)c1	ZINC000290090677	537668831	/nfs/dbraw/zinc/66/88/31/537668831.db2.gz	ZPGXGTUIHNIRLD-ZWKOTPCHSA-N	1	0	358.490	1.131	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C	ZINC000285298189	537677490	/nfs/dbraw/zinc/67/74/90/537677490.db2.gz	VUEIZFSMBYCCFP-QYZOEREBSA-N	1	0	373.497	1.373	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H](CS(C)(=O)=O)C1	ZINC000292121894	537710321	/nfs/dbraw/zinc/71/03/21/537710321.db2.gz	GPSPSIIUIGFRQG-JKSUJKDBSA-N	1	0	363.483	1.688	20	30		FDEDRO
CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)C1	ZINC000285585406	537733707	/nfs/dbraw/zinc/73/37/07/537733707.db2.gz	LHVJDOOZOFJVPC-QGZVFWFLSA-N	1	0	351.472	1.683	20	30		FDEDRO
N#CC1(NC(=O)c2ccc3n[nH]nc3n2)CC[NH+](Cc2ccccc2)CC1	ZINC000416190386	537766974	/nfs/dbraw/zinc/76/69/74/537766974.db2.gz	MRCZECRWOWJXGD-UHFFFAOYSA-N	1	0	361.409	1.641	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000366701295	537825378	/nfs/dbraw/zinc/82/53/78/537825378.db2.gz	NJGCBGUNEPRUSM-JZXOWHBKSA-N	1	0	351.491	1.768	20	30		FDEDRO
C=CCN(Cc1cn(C)c(=O)n(C)c1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000371376428	537828818	/nfs/dbraw/zinc/82/88/18/537828818.db2.gz	YLNKWIOWKPERSI-LJQANCHMSA-N	1	0	368.481	1.347	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1	ZINC000418919027	537848185	/nfs/dbraw/zinc/84/81/85/537848185.db2.gz	JRGHRFUMIFWYOP-CZUORRHYSA-N	1	0	360.483	1.151	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1	ZINC000418926373	537851611	/nfs/dbraw/zinc/85/16/11/537851611.db2.gz	REPMXZJQVLCXDS-MRXNPFEDSA-N	1	0	360.483	1.166	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH+]1CCC2(C[C@@H]2c2nnc3n2CCCCC3)CC1	ZINC000376578492	537851759	/nfs/dbraw/zinc/85/17/59/537851759.db2.gz	CBZMNAJFOBYLRU-HZPDHXFCSA-N	1	0	355.486	1.712	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1	ZINC000418934275	537856067	/nfs/dbraw/zinc/85/60/67/537856067.db2.gz	JICMPVYKZWWUQD-YESZJQIVSA-N	1	0	357.454	1.453	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000409581251	537865244	/nfs/dbraw/zinc/86/52/44/537865244.db2.gz	RUSIWCGMOOQDQX-KRWDZBQOSA-N	1	0	350.488	1.721	20	30		FDEDRO
C=CCCS(=O)(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1	ZINC000416623410	537909157	/nfs/dbraw/zinc/90/91/57/537909157.db2.gz	OFZKVGRIUUUALN-UHFFFAOYSA-N	1	0	365.499	1.379	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)cc1	ZINC000411970667	537915433	/nfs/dbraw/zinc/91/54/33/537915433.db2.gz	NPPBYPWYJUZTJR-RXVVDRJESA-N	1	0	365.433	1.427	20	30		FDEDRO
N#Cc1cc(NC(=O)NCCN2CC[NH2+]CC2)ccc1OCC(F)(F)F	ZINC000414855102	537926375	/nfs/dbraw/zinc/92/63/75/537926375.db2.gz	WEBRYQURACNAEB-UHFFFAOYSA-N	1	0	371.363	1.526	20	30		FDEDRO
COC(=O)[C@@H]1CSCC[N@H+](CCC(=O)Nc2sccc2C#N)C1	ZINC000412087154	537949281	/nfs/dbraw/zinc/94/92/81/537949281.db2.gz	NVSONKWVPBQKCH-LBPRGKRZSA-N	1	0	353.469	1.786	20	30		FDEDRO
C#Cc1ccc(C[NH+]2CCC([C@@H](O)c3cn(C)c(=O)n(C)c3=O)CC2)cc1	ZINC000367299980	537956888	/nfs/dbraw/zinc/95/68/88/537956888.db2.gz	LDYLGYXISLWHOA-LJQANCHMSA-N	1	0	367.449	1.011	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1	ZINC000419149216	537960323	/nfs/dbraw/zinc/96/03/23/537960323.db2.gz	KTDVIGVQRNLRRM-JKSUJKDBSA-N	1	0	365.474	1.504	20	30		FDEDRO
C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@]2(F)CC[NH2+]C2)nc1C	ZINC000368457855	537980843	/nfs/dbraw/zinc/98/08/43/537980843.db2.gz	GDSDUMYYIQRDNM-AWEZNQCLSA-N	1	0	368.463	1.825	20	30		FDEDRO
C=CCN(C(=O)c1cn(C)c(=O)[nH]c1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000372599204	537984470	/nfs/dbraw/zinc/98/44/70/537984470.db2.gz	IXLOJVCKJHUOOG-MRXNPFEDSA-N	1	0	368.437	1.389	20	30		FDEDRO
C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1	ZINC000415306315	537999429	/nfs/dbraw/zinc/99/94/29/537999429.db2.gz	WHTCHIZCMSACIY-NSHDSACASA-N	1	0	356.304	1.216	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000369216753	538004251	/nfs/dbraw/zinc/00/42/51/538004251.db2.gz	XFYJVKNXVHFGDL-HRCADAONSA-N	1	0	372.535	1.286	20	30		FDEDRO
C#CCCOc1ccc(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1	ZINC000377977114	538052539	/nfs/dbraw/zinc/05/25/39/538052539.db2.gz	KKFDNGZQWCKDDA-OXQOHEQNSA-N	1	0	355.438	1.899	20	30		FDEDRO
C#CCCOc1ccc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1	ZINC000377977113	538052773	/nfs/dbraw/zinc/05/27/73/538052773.db2.gz	KKFDNGZQWCKDDA-OXJNMPFZSA-N	1	0	355.438	1.899	20	30		FDEDRO
O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1	ZINC000415589822	538080015	/nfs/dbraw/zinc/08/00/15/538080015.db2.gz	JBQLRFLCCMPCSW-JOCHJYFZSA-N	1	0	374.444	1.632	20	30		FDEDRO
CCC[NH2+]CCNC(=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1	ZINC000419635487	538088324	/nfs/dbraw/zinc/08/83/24/538088324.db2.gz	IWEFPHDGILFVNE-UHFFFAOYSA-N	1	0	364.449	1.957	20	30		FDEDRO
CC1(C)CN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC[NH2+]1	ZINC000415822161	538088585	/nfs/dbraw/zinc/08/85/85/538088585.db2.gz	KNWTZBTYEQRTFV-UHFFFAOYSA-N	1	0	365.231	1.470	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000370837656	538094691	/nfs/dbraw/zinc/09/46/91/538094691.db2.gz	CZQHQDFODAKKPR-VQIMIIECSA-N	1	0	370.497	1.952	20	30		FDEDRO
Cc1nc(CN2CCC[C@@H]([NH2+][C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)no1	ZINC000370980075	538096317	/nfs/dbraw/zinc/09/63/17/538096317.db2.gz	SAARSFPCOYBVIJ-GOEBONIOSA-N	1	0	374.489	1.663	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1	ZINC000419903024	538138616	/nfs/dbraw/zinc/13/86/16/538138616.db2.gz	UQTFWFFQRQBYDQ-ZWKOTPCHSA-N	1	0	357.454	1.458	20	30		FDEDRO
C[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)[C@H]1C[NH3+]	ZINC000423738475	538153419	/nfs/dbraw/zinc/15/34/19/538153419.db2.gz	QSNVYJUWVDYCPM-FHLIZLRMSA-N	1	0	370.453	1.044	20	30		FDEDRO
C=C(C)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1	ZINC000427053021	538163682	/nfs/dbraw/zinc/16/36/82/538163682.db2.gz	PPBUBAMRLARDLH-UHFFFAOYSA-N	1	0	358.442	1.095	20	30		FDEDRO
C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000439341953	538167857	/nfs/dbraw/zinc/16/78/57/538167857.db2.gz	AQWJQHRCXKYZIE-HNNXBMFYSA-N	1	0	358.442	1.860	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1	ZINC000420080191	538207522	/nfs/dbraw/zinc/20/75/22/538207522.db2.gz	GDKWHEVNMSNNSH-GOSISDBHSA-N	1	0	356.470	1.931	20	30		FDEDRO
C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000420108132	538220990	/nfs/dbraw/zinc/22/09/90/538220990.db2.gz	BUHVBQWZIOUKMO-KBXCAEBGSA-N	1	0	370.453	1.042	20	30		FDEDRO
C[NH+](C)[C@@H](CC(=O)N(CCC#N)CCN1CCOCC1)c1ccccc1	ZINC000433345565	538229096	/nfs/dbraw/zinc/22/90/96/538229096.db2.gz	YNBGGTSVJIGMHO-IBGZPJMESA-N	1	0	358.486	1.754	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1	ZINC000424089755	538231547	/nfs/dbraw/zinc/23/15/47/538231547.db2.gz	AZEVGNPSMSGADO-HNNXBMFYSA-N	1	0	350.369	1.270	20	30		FDEDRO
COC(=O)[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccc(Br)cc1	ZINC000424112573	538237547	/nfs/dbraw/zinc/23/75/47/538237547.db2.gz	KMPHZGSXAJJRLK-OLZOCXBDSA-N	1	0	368.231	1.801	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNC(=O)NCCOc2ccc(C#N)cc2)CCCO1	ZINC000433399177	538238246	/nfs/dbraw/zinc/23/82/46/538238246.db2.gz	NSBXHMIPDQQKSM-INIZCTEOSA-N	1	0	360.458	1.737	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1	ZINC000424117403	538239905	/nfs/dbraw/zinc/23/99/05/538239905.db2.gz	YNUSQVZAOGICSY-HNNXBMFYSA-N	1	0	350.369	1.270	20	30		FDEDRO
CC(C)(C)NS(=O)(=O)c1cc(NC(=O)[C@H]([NH3+])CCCC#N)ccc1F	ZINC000424122294	538240948	/nfs/dbraw/zinc/24/09/48/538240948.db2.gz	JCBUFBNDDHYIMP-CYBMUJFWSA-N	1	0	370.450	1.862	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NCCC1=CC[NH2+]CC1	ZINC000420165257	538246073	/nfs/dbraw/zinc/24/60/73/538246073.db2.gz	NDWRRGYCSAKJPO-UHFFFAOYSA-N	1	0	372.425	1.535	20	30		FDEDRO
CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1cccc(Br)c1C#N	ZINC000420415527	538288286	/nfs/dbraw/zinc/28/82/86/538288286.db2.gz	AZGHNMNCSCPEGF-LBPRGKRZSA-N	1	0	358.261	1.679	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1Br	ZINC000420427266	538293294	/nfs/dbraw/zinc/29/32/94/538293294.db2.gz	QUQZHKZZMZFEBG-QWRGUYRKSA-N	1	0	358.261	1.869	20	30		FDEDRO
C[C@H]1C[C@@H](NS(=O)(=O)c2cccc(Br)c2C#N)CC[NH2+]1	ZINC000420429652	538294441	/nfs/dbraw/zinc/29/44/41/538294441.db2.gz	AUGWMOILCZFYPX-UWVGGRQHSA-N	1	0	358.261	1.740	20	30		FDEDRO
C=CCn1cc(CNC(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)nn1	ZINC000424483688	538311498	/nfs/dbraw/zinc/31/14/98/538311498.db2.gz	YQUIQHYOADTNSB-MSOLQXFVSA-N	1	0	370.457	1.418	20	30		FDEDRO
C=CCN(CC1CCCCC1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1	ZINC000424553119	538327686	/nfs/dbraw/zinc/32/76/86/538327686.db2.gz	YYJCFFPPISAEOM-ZWKOTPCHSA-N	1	0	373.501	1.268	20	30		FDEDRO
CN(C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@H]1CC[N@@H+](C2CC2)C1	ZINC000435016468	538373186	/nfs/dbraw/zinc/37/31/86/538373186.db2.gz	MFSJCGGYWDXAAG-HNNXBMFYSA-N	1	0	357.458	1.748	20	30		FDEDRO
C=CCC[C@@H](CO)NC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1	ZINC000457728352	538512498	/nfs/dbraw/zinc/51/24/98/538512498.db2.gz	YFDPIYCCBQMDPG-PMACEKPBSA-N	1	0	374.529	1.992	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000454105571	538514199	/nfs/dbraw/zinc/51/41/99/538514199.db2.gz	QKXNYLPXGWGRON-HNNXBMFYSA-N	1	0	359.474	1.994	20	30		FDEDRO
C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NCCc2cccc(C#N)c2)CC1	ZINC000466826356	538570941	/nfs/dbraw/zinc/57/09/41/538570941.db2.gz	OOANFEOGYLIYMG-INIZCTEOSA-N	1	0	358.486	1.835	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(C(=O)NC(C)(C)C)CC2)CC1	ZINC000476941700	538574661	/nfs/dbraw/zinc/57/46/61/538574661.db2.gz	KXAYGIDXRVJHMD-UHFFFAOYSA-N	1	0	365.522	1.862	20	30		FDEDRO
Cc1cc(N2CCC([NH2+][C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)nc(C)n1	ZINC000494734638	538584232	/nfs/dbraw/zinc/58/42/32/538584232.db2.gz	HHMBKTXQRPXIBI-LJQANCHMSA-N	1	0	364.453	1.750	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1	ZINC000472284567	538617574	/nfs/dbraw/zinc/61/75/74/538617574.db2.gz	LTFNPLMDYJBUHA-YQVWRLOYSA-N	1	0	352.523	1.862	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1	ZINC000462363351	538617705	/nfs/dbraw/zinc/61/77/05/538617705.db2.gz	YIFVZOMJIXFDBY-PBHICJAKSA-N	1	0	365.499	1.563	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C	ZINC000560603320	545554025	/nfs/dbraw/zinc/55/40/25/545554025.db2.gz	AJNZWNCMUWUKBL-MQVJKMGUSA-N	1	0	355.442	1.075	20	30		FDEDRO
C[C@H](C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)c1cccc(C#N)c1	ZINC000462585039	538643339	/nfs/dbraw/zinc/64/33/39/538643339.db2.gz	QQODAKKBDNGVCX-INIZCTEOSA-N	1	0	357.454	1.347	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1	ZINC000487779261	538680737	/nfs/dbraw/zinc/68/07/37/538680737.db2.gz	FFNVQRIRYBFAKI-INIZCTEOSA-N	1	0	351.491	1.418	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)cc1	ZINC000483519092	538709353	/nfs/dbraw/zinc/70/93/53/538709353.db2.gz	HXDZPGRWTDIBSN-IOASZLSFSA-N	1	0	364.471	1.977	20	30		FDEDRO
CCCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000497401090	538755692	/nfs/dbraw/zinc/75/56/92/538755692.db2.gz	MPGFDESAWQARSU-GOSISDBHSA-N	1	0	356.470	1.803	20	30		FDEDRO
N#Cc1cccc(-c2cc(C(=O)NCC3CC[NH+](CCO)CC3)on2)c1	ZINC000469349812	538790775	/nfs/dbraw/zinc/79/07/75/538790775.db2.gz	XTZXSHKSSUHABU-UHFFFAOYSA-N	1	0	354.410	1.647	20	30		FDEDRO
COc1cc(OC)c(CC[NH2+]Cc2cnc3c(C#N)cnn3c2)c(OC)c1	ZINC000561179068	545728898	/nfs/dbraw/zinc/72/88/98/545728898.db2.gz	ZAACEWBWIUBCRA-UHFFFAOYSA-N	1	0	367.409	1.959	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CCN(C(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)C2)nc1	ZINC000561231151	545760532	/nfs/dbraw/zinc/76/05/32/545760532.db2.gz	WINCPHNUESSIOU-ZOBUZTSGSA-N	1	0	357.458	1.881	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(Cc2ccccc2)C[C@H](C)O)CC1	ZINC000561415354	545840020	/nfs/dbraw/zinc/84/00/20/545840020.db2.gz	RXMXVVWBUJVJPY-INIZCTEOSA-N	1	0	359.470	1.163	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CCOC)[C@H]2CC[C@H](C)C2)CC1	ZINC000561452318	545858009	/nfs/dbraw/zinc/85/80/09/545858009.db2.gz	FUHNIWHHCYUHEX-WMZOPIPTSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=CCCCNC(=O)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1	ZINC000561759912	545945583	/nfs/dbraw/zinc/94/55/83/545945583.db2.gz	LIDRGUXWFHUJGT-UHFFFAOYSA-N	1	0	350.507	1.135	20	30		FDEDRO
C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2nc(C#N)cs2)CC1	ZINC000562199432	546055209	/nfs/dbraw/zinc/05/52/09/546055209.db2.gz	HBOGUNSXARHDEP-UHFFFAOYSA-N	1	0	363.531	1.931	20	30		FDEDRO
Cc1ncc(S(=O)(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1C#N	ZINC000562354529	546106116	/nfs/dbraw/zinc/10/61/16/546106116.db2.gz	WGWRPNNELOETKX-UHFFFAOYSA-N	1	0	364.471	1.185	20	30		FDEDRO
N#CCc1ccc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c(Cl)c1	ZINC000562765994	546258987	/nfs/dbraw/zinc/25/89/87/546258987.db2.gz	VNRPGQOROVWXPN-GOSISDBHSA-N	1	0	360.845	1.947	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCCCC[N@H+]2CCCC[C@H]2C)ncc1C#N	ZINC000563373537	546506275	/nfs/dbraw/zinc/50/62/75/546506275.db2.gz	IQFOPSCRGKIAOJ-OAHLLOKOSA-N	1	0	357.458	1.971	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c1	ZINC000563496696	546558072	/nfs/dbraw/zinc/55/80/72/546558072.db2.gz	UDXVMELKDPNPPG-FQEVSTJZSA-N	1	0	370.453	1.910	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H](C)C1CCN(S(=O)(=O)CC)CC1	ZINC000564151974	546824509	/nfs/dbraw/zinc/82/45/09/546824509.db2.gz	KHXFVXASGTVJBA-INIZCTEOSA-N	1	0	371.547	1.569	20	30		FDEDRO
COc1cc(CNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)ccc1C#N	ZINC000564598119	546967602	/nfs/dbraw/zinc/96/76/02/546967602.db2.gz	NSBJPNKZJHAAEW-CQSZACIVSA-N	1	0	360.458	1.553	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1	ZINC000564756544	547026600	/nfs/dbraw/zinc/02/66/00/547026600.db2.gz	VZWYQDXWAXEUFY-QAPCUYQASA-N	1	0	366.465	1.814	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)cc1	ZINC000564845942	547064976	/nfs/dbraw/zinc/06/49/76/547064976.db2.gz	XZCMRJMQHUWSMW-HUUCEWRRSA-N	1	0	357.376	1.772	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000564856386	547070685	/nfs/dbraw/zinc/07/06/85/547070685.db2.gz	GSCULCJZRSSAKN-RVKKMQEKSA-N	1	0	362.474	1.876	20	30		FDEDRO
CC(=O)NCC[N@H+](Cc1cnc2c(C#N)cnn2c1)C1CCSCC1	ZINC000564984883	547143807	/nfs/dbraw/zinc/14/38/07/547143807.db2.gz	COLTUAAJZSCBPX-UHFFFAOYSA-N	1	0	358.471	1.435	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)CCN(C)c2ccccc2)CC1	ZINC000565134577	547214997	/nfs/dbraw/zinc/21/49/97/547214997.db2.gz	OSALWHRBUKWKIT-UHFFFAOYSA-N	1	0	358.486	1.348	20	30		FDEDRO
C[N@H+](CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCSC1	ZINC000565153937	547223362	/nfs/dbraw/zinc/22/33/62/547223362.db2.gz	DSFFJCRGRHJEMR-SJORKVTESA-N	1	0	372.494	1.213	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1cccc(C#N)n1)N1CCc2sccc2C1	ZINC000565948706	547542841	/nfs/dbraw/zinc/54/28/41/547542841.db2.gz	HGFZMPSPQHFKCF-GFCCVEGCSA-N	1	0	369.450	1.516	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]CCCc2nnc3ccccn32)cc1	ZINC000566110020	547607571	/nfs/dbraw/zinc/60/75/71/547607571.db2.gz	WIEHIWZZGXSAKB-INIZCTEOSA-N	1	0	351.410	1.563	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c(OC)c1	ZINC000566110554	547607963	/nfs/dbraw/zinc/60/79/63/547607963.db2.gz	MAQVGGXGWSYAAX-VDHUWJSZSA-N	1	0	374.481	1.762	20	30		FDEDRO
N#Cc1ncn(CC[NH2+]C[C@@H](O)Cn2c3ccccc3c3ccccc32)n1	ZINC000566129096	547617911	/nfs/dbraw/zinc/61/79/11/547617911.db2.gz	VWOAXUBDCVHHCW-OAHLLOKOSA-N	1	0	360.421	1.908	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1	ZINC000566407940	547743845	/nfs/dbraw/zinc/74/38/45/547743845.db2.gz	WNQZGFMKXZYCKA-XJKSGUPXSA-N	1	0	354.414	1.239	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)ncc1C#N	ZINC000566447735	547762626	/nfs/dbraw/zinc/76/26/26/547762626.db2.gz	PKQWQMVCAVSLDL-UHFFFAOYSA-N	1	0	367.409	1.779	20	30		FDEDRO
CC[NH+](CC)CCN(CCOC)C(=O)C(=O)Nc1cc(C)c(C#N)cn1	ZINC000566447903	547762794	/nfs/dbraw/zinc/76/27/94/547762794.db2.gz	PSXSBTNAMDCBMK-UHFFFAOYSA-N	1	0	361.446	1.017	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)Nc2cccc(C#N)n2)CC1	ZINC000566736737	547868823	/nfs/dbraw/zinc/86/88/23/547868823.db2.gz	LRVQSXHCGLKZEC-IYBDPMFKSA-N	1	0	356.474	1.976	20	30		FDEDRO
COC[C@@H](C)CS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000566942785	547939178	/nfs/dbraw/zinc/93/91/78/547939178.db2.gz	OBSCCXFENRZZBV-OAHLLOKOSA-N	1	0	353.488	1.534	20	30		FDEDRO
COC1([C@H](C)[NH2+]CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCC1	ZINC000567089201	547991001	/nfs/dbraw/zinc/99/10/01/547991001.db2.gz	ONLGIEAHUVYLJH-ZDUSSCGKSA-N	1	0	361.446	1.051	20	30		FDEDRO
CC(C)(C)c1cnc(Cn2cc(CN3CCOCC3)cc(C#N)c2=O)o1	ZINC000567290335	548065265	/nfs/dbraw/zinc/06/52/65/548065265.db2.gz	CFUYKQNDEBWKAX-UHFFFAOYSA-N	1	0	356.426	1.886	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)C1(S(C)(=O)=O)CC1	ZINC000567708488	548222245	/nfs/dbraw/zinc/22/22/45/548222245.db2.gz	PSIACHUHEXSUSN-UKRRQHHQSA-N	1	0	352.456	1.048	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)n1	ZINC000567834842	548280693	/nfs/dbraw/zinc/28/06/93/548280693.db2.gz	JCDKPOOUIUDULP-QGZVFWFLSA-N	1	0	363.421	1.673	20	30		FDEDRO
CC1(C)[C@H](O)C[C@@H]1[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000568410645	548527088	/nfs/dbraw/zinc/52/70/88/548527088.db2.gz	UGFAUEJYPBLDFI-VNQPRFMTSA-N	1	0	362.499	1.206	20	30		FDEDRO
N#Cc1cccnc1OC1CCC([NH2+][C@@H](C2CC2)[C@H]2CNCCO2)CC1	ZINC000568499925	548561842	/nfs/dbraw/zinc/56/18/42/548561842.db2.gz	ZSECQGWPPMVEDH-GMNCBBECSA-N	1	0	356.470	2.000	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C	ZINC000568567932	548589219	/nfs/dbraw/zinc/58/92/19/548589219.db2.gz	XAKPBQFWUBAWPV-XHSDSOJGSA-N	1	0	351.491	1.320	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccc(Cl)c(C#N)c3)CC2)C1=O	ZINC000568743639	548660804	/nfs/dbraw/zinc/66/08/04/548660804.db2.gz	SCLQNZNAUUCZOF-MRXNPFEDSA-N	1	0	360.845	1.637	20	30		FDEDRO
COc1cccc(C[C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)c1	ZINC000568754770	548667223	/nfs/dbraw/zinc/66/72/23/548667223.db2.gz	SOLZWHBQRDUECR-CQSZACIVSA-N	1	0	359.451	1.956	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1	ZINC000568980481	548754778	/nfs/dbraw/zinc/75/47/78/548754778.db2.gz	YRXWLDAQBRUDER-INIZCTEOSA-N	1	0	360.414	1.368	20	30		FDEDRO
CCC[NH+]1CCC(CNC(=O)C(=O)NCc2ccc(CC#N)cc2)CC1	ZINC000569240149	548847806	/nfs/dbraw/zinc/84/78/06/548847806.db2.gz	JOWYWSDRESKCER-UHFFFAOYSA-N	1	0	356.470	1.607	20	30		FDEDRO
N#Cc1cccc(OCCCN2C(=O)N[C@]3(CCCC[C@@H]3C[NH3+])C2=O)c1	ZINC000569452293	548922614	/nfs/dbraw/zinc/92/26/14/548922614.db2.gz	IVNDBHVISFKXKZ-BEFAXECRSA-N	1	0	356.426	1.767	20	30		FDEDRO
Cc1cc(N2CCC([NH2+]CCS(=O)(=O)c3ccc(C#N)cn3)CC2)n[nH]1	ZINC000569568999	548963916	/nfs/dbraw/zinc/96/39/16/548963916.db2.gz	NVSCYHFEMLLBHF-UHFFFAOYSA-N	1	0	374.470	1.017	20	30		FDEDRO
CCO[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)[C@H]1n1cccn1	ZINC000569804188	549052748	/nfs/dbraw/zinc/05/27/48/549052748.db2.gz	LDTNGOJFSVSFLO-RCCFBDPRSA-N	1	0	374.466	1.537	20	30		FDEDRO
CCO[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)[C@H]1n1cccn1	ZINC000569804187	549052976	/nfs/dbraw/zinc/05/29/76/549052976.db2.gz	LDTNGOJFSVSFLO-KZNAEPCWSA-N	1	0	374.466	1.537	20	30		FDEDRO
CN(C)C[C@](C)(C#N)NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1	ZINC000569932050	549099589	/nfs/dbraw/zinc/09/95/89/549099589.db2.gz	USSPAHGNYDVMCL-FQEVSTJZSA-N	1	0	357.502	1.549	20	30		FDEDRO
C=CCN1CCC([NH2+]C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)CC1	ZINC000569961179	549110752	/nfs/dbraw/zinc/11/07/52/549110752.db2.gz	ZZBSLEKICLZWIH-KRWDZBQOSA-N	1	0	359.470	1.551	20	30		FDEDRO
N#Cc1cccnc1OC1CCC(NC(=O)NCC2=CC[NH2+]CC2)CC1	ZINC000570307155	549234189	/nfs/dbraw/zinc/23/41/89/549234189.db2.gz	IGOBFTWPHKOONV-UHFFFAOYSA-N	1	0	355.442	1.862	20	30		FDEDRO
C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCN(c2cnccc2C#N)CC1	ZINC000570459174	549287563	/nfs/dbraw/zinc/28/75/63/549287563.db2.gz	BXPWADMAVOIUGF-SFHVURJKSA-N	1	0	370.501	1.905	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1	ZINC000570542756	549318148	/nfs/dbraw/zinc/31/81/48/549318148.db2.gz	SXKMIYRCGINGRZ-WMZOPIPTSA-N	1	0	359.470	1.427	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2)CC1	ZINC000570562204	549325733	/nfs/dbraw/zinc/32/57/33/549325733.db2.gz	SAJWDGCEIGLWPR-QWFCFKBJSA-N	1	0	363.550	1.530	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCOCC2(CC2)C1)C(C)C	ZINC000570872178	549442713	/nfs/dbraw/zinc/44/27/13/549442713.db2.gz	WYZYRPOPNXLKHI-QGZVFWFLSA-N	1	0	363.502	1.440	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1cccnc1	ZINC000570989575	549485682	/nfs/dbraw/zinc/48/56/82/549485682.db2.gz	IUEOQPVWAGXKLT-UHFFFAOYSA-N	1	0	365.437	1.160	20	30		FDEDRO
CC(=O)NCC[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000570994408	549487417	/nfs/dbraw/zinc/48/74/17/549487417.db2.gz	JYPXBZGTXKSJSI-PKOBYXMFSA-N	1	0	354.454	1.902	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000571062372	549513096	/nfs/dbraw/zinc/51/30/96/549513096.db2.gz	YYXGSBJJKOXLAS-JCGIZDLHSA-N	1	0	369.469	1.428	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCNC(=O)c2ccccc2)cc1	ZINC000572149064	549853253	/nfs/dbraw/zinc/85/32/53/549853253.db2.gz	QKFWIUKSGQGMSC-UHFFFAOYSA-N	1	0	371.462	1.742	20	30		FDEDRO
Cc1nc(SCC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c(C#N)c(C)c1C	ZINC000572373876	549900409	/nfs/dbraw/zinc/90/04/09/549900409.db2.gz	XJKUUSIOBSVUOJ-INIZCTEOSA-N	1	0	373.526	1.477	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2c(cn1)OCCO2	ZINC000572751344	549987504	/nfs/dbraw/zinc/98/75/04/549987504.db2.gz	FAFLSPPLLQVVOA-UHFFFAOYSA-N	1	0	366.421	1.928	20	30		FDEDRO
CN1CC[NH+](CCC(C)(C)NC(=O)NCc2ccc(CC#N)cc2)CC1	ZINC000573087140	550060619	/nfs/dbraw/zinc/06/06/19/550060619.db2.gz	UVUZKYKKXOMOGZ-UHFFFAOYSA-N	1	0	357.502	1.968	20	30		FDEDRO
C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NCc2ccc(CC#N)cc2)C1	ZINC000573368878	550122072	/nfs/dbraw/zinc/12/20/72/550122072.db2.gz	ZVZFAPMCGBRPKU-LJQANCHMSA-N	1	0	368.481	1.559	20	30		FDEDRO
CSC1(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CCOCC1	ZINC000573712841	550199228	/nfs/dbraw/zinc/19/92/28/550199228.db2.gz	BVQIEABJYMTFJV-UHFFFAOYSA-N	1	0	354.497	1.834	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCCN(CC)c2ccccc2)CC1	ZINC000573818068	550217251	/nfs/dbraw/zinc/21/72/51/550217251.db2.gz	JOHUGOWMAOCZFG-UHFFFAOYSA-N	1	0	372.513	1.786	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)CN1CCC(CO)([NH2+]C(C)C)CC1	ZINC000573860297	550222959	/nfs/dbraw/zinc/22/29/59/550222959.db2.gz	QXSZLUMKTCSXOC-LJQANCHMSA-N	1	0	362.514	1.980	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1	ZINC000573956529	550237908	/nfs/dbraw/zinc/23/79/08/550237908.db2.gz	AEARXZWCGACXKQ-MSOLQXFVSA-N	1	0	372.469	1.568	20	30		FDEDRO
C=CCn1c(C)cc(C(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C[NH3+])C2=O)c1C	ZINC000574037155	550249903	/nfs/dbraw/zinc/24/99/03/550249903.db2.gz	DKEUXOYLZDJPHF-YWZLYKJASA-N	1	0	372.469	1.913	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000574098290	550257031	/nfs/dbraw/zinc/25/70/31/550257031.db2.gz	KYIJGBFBOGKBJW-QGZVFWFLSA-N	1	0	354.454	1.902	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCc2ccc(C#N)s2)CC1	ZINC000574441052	550314599	/nfs/dbraw/zinc/31/45/99/550314599.db2.gz	LYVSWSQMMCJPEZ-OAHLLOKOSA-N	1	0	361.515	1.931	20	30		FDEDRO
C[NH+](C)C[C@H](CNC(=O)CNc1ccc(C#N)cn1)c1ccc(Cl)cc1	ZINC000574643040	550346942	/nfs/dbraw/zinc/34/69/42/550346942.db2.gz	MYWZVDVSCCNGAV-INIZCTEOSA-N	1	0	371.872	2.480	20	30		FDEDRO
N#CCc1ccccc1NC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000574788501	550370861	/nfs/dbraw/zinc/37/08/61/550370861.db2.gz	FGYCCGLJCWJQRS-SFHVURJKSA-N	1	0	370.453	1.404	20	30		FDEDRO
COC[C@H](C)OC[C@@H](O)C[NH2+]C1CCC(Oc2ncccc2C#N)CC1	ZINC000574870875	550384225	/nfs/dbraw/zinc/38/42/25/550384225.db2.gz	BZONBEAPLUZBFH-VNCIIQTRSA-N	1	0	363.458	1.645	20	30		FDEDRO
COc1ccc(C[C@H](CO)C[NH2+]Cc2cnc3ccc(C#N)cn23)cc1O	ZINC000575368848	550458328	/nfs/dbraw/zinc/45/83/28/550458328.db2.gz	VYMGMVLAOOHKFS-INIZCTEOSA-N	1	0	366.421	1.861	20	30		FDEDRO
CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-]	ZINC000575409542	550461176	/nfs/dbraw/zinc/46/11/76/550461176.db2.gz	PNUNCTFJMHBJHS-KGLIPLIRSA-N	1	0	352.416	1.416	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C1	ZINC000576894356	550597494	/nfs/dbraw/zinc/59/74/94/550597494.db2.gz	JVMNWFWYDGIHTE-HNNXBMFYSA-N	1	0	366.469	1.717	20	30		FDEDRO
C=CCSc1ccccc1NC(=O)CN1C(=O)N[C@]2(CCC[NH2+]C2)C1=O	ZINC000577218750	550633596	/nfs/dbraw/zinc/63/35/96/550633596.db2.gz	JFWZMTAOBWDXCQ-SFHVURJKSA-N	1	0	374.466	1.577	20	30		FDEDRO
N#Cc1ccc2[nH]c(=NCC(=O)NCC[NH+]3CCCCCC3)ccc2c1	ZINC000577451907	550657352	/nfs/dbraw/zinc/65/73/52/550657352.db2.gz	SQPCKSHQXAZOTN-UHFFFAOYSA-N	1	0	351.454	2.511	20	30		FDEDRO
Cc1nc(N2CCC(O)(C[NH+]3CCOCC3)CC2)c(Cl)cc1C#N	ZINC000577689407	550683334	/nfs/dbraw/zinc/68/33/34/550683334.db2.gz	RREIEWKOCISBAV-UHFFFAOYSA-N	1	0	350.850	1.579	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)NCCC3=CC[NH2+]CC3)C2=O)cc1	ZINC000577831610	550698887	/nfs/dbraw/zinc/69/88/87/550698887.db2.gz	HKLGOZUEBXTFAX-GOSISDBHSA-N	1	0	367.453	1.663	20	30		FDEDRO
C[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)n1cnc(C#N)n1	ZINC000578060882	550724156	/nfs/dbraw/zinc/72/41/56/550724156.db2.gz	QOUIPIYMKADGPH-KBAYOESNSA-N	1	0	364.453	1.691	20	30		FDEDRO
C=CCCCNC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1	ZINC000578360931	550756413	/nfs/dbraw/zinc/75/64/13/550756413.db2.gz	LNKXBSIZIJCRHV-IAGOWNOFSA-N	1	0	350.507	1.086	20	30		FDEDRO
CN1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)[C@@H](C[NH3+])C1	ZINC000578423731	550761692	/nfs/dbraw/zinc/76/16/92/550761692.db2.gz	XSHFUVOTSCXABV-LBPRGKRZSA-N	1	0	352.236	1.427	20	30		FDEDRO
C=CCN(C(=O)CCOC1C[NH2+]C1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000578878771	550811377	/nfs/dbraw/zinc/81/13/77/550811377.db2.gz	BJXIHUVLEGIYNK-CQSZACIVSA-N	1	0	356.430	1.116	20	30		FDEDRO
COC[C@@](C)(CC(=O)OC)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000579434077	550872858	/nfs/dbraw/zinc/87/28/58/550872858.db2.gz	MWNTWVHSRYWKFH-VQIMIIECSA-N	1	0	359.426	1.611	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1	ZINC000579650431	550895884	/nfs/dbraw/zinc/89/58/84/550895884.db2.gz	BIRLGJWKCRCVSA-UHOSZYNNSA-N	1	0	370.497	1.841	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@@H](C[NH3+])C1	ZINC000579831624	550914938	/nfs/dbraw/zinc/91/49/38/550914938.db2.gz	CSXWMVKJTAWMTM-JTQLQIEISA-N	1	0	358.261	1.680	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)CC1	ZINC000579927336	550924189	/nfs/dbraw/zinc/92/41/89/550924189.db2.gz	COXXGWRULFUSAO-ZWKOTPCHSA-N	1	0	356.470	1.547	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)CC1	ZINC000579987545	550931400	/nfs/dbraw/zinc/93/14/00/550931400.db2.gz	XYHICIWZENLHLH-IAGOWNOFSA-N	1	0	365.518	1.853	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])CC2)c1C#N	ZINC000580053379	550937918	/nfs/dbraw/zinc/93/79/18/550937918.db2.gz	ABXHCHDVVDJVBL-DZGCQCFKSA-N	1	0	362.503	1.672	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)cc1	ZINC000580304729	550964477	/nfs/dbraw/zinc/96/44/77/550964477.db2.gz	VKXKNOZIXGPADB-GOSISDBHSA-N	1	0	369.421	1.785	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1CCN(C(=O)c2cccs2)CC1	ZINC000580403835	550978198	/nfs/dbraw/zinc/97/81/98/550978198.db2.gz	YYSYSCOAEZXKKT-CABCVRRESA-N	1	0	363.483	1.356	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)CCS(=O)(=O)c2ccc(C#N)cn2)C[C@H]1C	ZINC000580477752	550986308	/nfs/dbraw/zinc/98/63/08/550986308.db2.gz	CHDJQYSJUNEYLW-ZBFHGGJFSA-N	1	0	350.488	1.532	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]CCn2c(=O)oc3ccccc32)cc1	ZINC000580552958	550994278	/nfs/dbraw/zinc/99/42/78/550994278.db2.gz	JBASQGVKPKFCHS-MRXNPFEDSA-N	1	0	367.405	1.690	20	30		FDEDRO
C=CCN=c1[nH]cc(C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)s1	ZINC000580563490	550995382	/nfs/dbraw/zinc/99/53/82/550995382.db2.gz	WMIJXLCYXAYOJP-UKRRQHHQSA-N	1	0	350.488	2.100	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2	ZINC000581181220	551060757	/nfs/dbraw/zinc/06/07/57/551060757.db2.gz	GALDAQJRZQZEBF-FQEVSTJZSA-N	1	0	357.454	1.470	20	30		FDEDRO
CC(C)[NH+](CCCNCCS(=O)(=O)c1ccc(C#N)cn1)C(C)C	ZINC000581246436	551067734	/nfs/dbraw/zinc/06/77/34/551067734.db2.gz	VHCVPJWBMMDUDJ-UHFFFAOYSA-N	1	0	352.504	1.825	20	30		FDEDRO
CCN(CC)c1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cn1	ZINC000581305826	551074380	/nfs/dbraw/zinc/07/43/80/551074380.db2.gz	ZSPMQQGFRKPEEH-UHFFFAOYSA-N	1	0	373.482	1.758	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)CC2)cc1	ZINC000581364272	551080824	/nfs/dbraw/zinc/08/08/24/551080824.db2.gz	SUPVYWUTOLCOBF-OALUTQOASA-N	1	0	364.449	1.384	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1F	ZINC000581399757	551084523	/nfs/dbraw/zinc/08/45/23/551084523.db2.gz	DSDSSNFJURPHIR-UHFFFAOYSA-N	1	0	358.417	1.970	20	30		FDEDRO
CC[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC2)CC1	ZINC000581522115	551098984	/nfs/dbraw/zinc/09/89/84/551098984.db2.gz	BIMXHQJCTSPZRS-QGZVFWFLSA-N	1	0	366.469	1.995	20	30		FDEDRO
C[C@@H]([NH3+])C1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000581993016	551160017	/nfs/dbraw/zinc/16/00/17/551160017.db2.gz	WIFNTGZADFUQDJ-KDOFPFPSSA-N	1	0	369.469	1.428	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)ncc1C#N	ZINC000582190099	551188704	/nfs/dbraw/zinc/18/87/04/551188704.db2.gz	KJDWXRQUHWWVHL-HNNXBMFYSA-N	1	0	365.437	1.837	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH+](C3CCC3)C3CCC3)CC2)o1	ZINC000582702271	551257007	/nfs/dbraw/zinc/25/70/07/551257007.db2.gz	LHDCKIOWOSMYBH-UHFFFAOYSA-N	1	0	357.458	1.910	20	30		FDEDRO
CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2ccc(C#N)cn2)CC1	ZINC000583151878	551311285	/nfs/dbraw/zinc/31/12/85/551311285.db2.gz	LEWMASXQTTXFQN-AWEZNQCLSA-N	1	0	350.488	1.835	20	30		FDEDRO
COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCc1ccc(C#N)s1	ZINC000583315825	551333701	/nfs/dbraw/zinc/33/37/01/551333701.db2.gz	AVRONDZCVMKECW-UHFFFAOYSA-N	1	0	372.450	1.945	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)N2CCN(c3cnccc3C#N)CC2)CCSC1	ZINC000583357567	551339548	/nfs/dbraw/zinc/33/95/48/551339548.db2.gz	BFSNSVMWSIWBKB-SFHVURJKSA-N	1	0	374.514	1.222	20	30		FDEDRO
CC(C)[C@](C)(CO)[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000583410560	551347563	/nfs/dbraw/zinc/34/75/63/551347563.db2.gz	UHPFZEUJJDTIRC-YJBOKZPZSA-N	1	0	364.515	1.454	20	30		FDEDRO
CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000583807207	551404856	/nfs/dbraw/zinc/40/48/56/551404856.db2.gz	CTSABPGZCVBYII-HLLBOEOZSA-N	1	0	352.456	1.243	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1	ZINC000583835413	551408849	/nfs/dbraw/zinc/40/88/49/551408849.db2.gz	DMPITGYZOCZGNA-HOTGVXAUSA-N	1	0	369.531	1.369	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)NC[C@H]3CCC[NH2+]C3)C2=O)cc1	ZINC000583921025	551421099	/nfs/dbraw/zinc/42/10/99/551421099.db2.gz	FUZWUMZXGRTCII-DOTOQJQBSA-N	1	0	355.442	1.352	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H]([NH2+]C3CCN(CC(F)F)CC3)C2=O)cc1	ZINC000584146909	551453928	/nfs/dbraw/zinc/45/39/28/551453928.db2.gz	GRHKODAGDUACOL-QGZVFWFLSA-N	1	0	362.424	1.978	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H]1CCCc2cc(C#N)ccc21	ZINC000584399581	551491104	/nfs/dbraw/zinc/49/11/04/551491104.db2.gz	WIHOEYUXXICCNO-BEFAXECRSA-N	1	0	355.486	1.871	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)Cc2cn3c(n2)CCCC3)CC1	ZINC000584416062	551493694	/nfs/dbraw/zinc/49/36/94/551493694.db2.gz	JSYGPDUIDZVDPV-UHFFFAOYSA-N	1	0	373.501	1.335	20	30		FDEDRO
CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000584580533	551521273	/nfs/dbraw/zinc/52/12/73/551521273.db2.gz	GPADHCQTPKLXBV-MRXNPFEDSA-N	1	0	356.474	1.563	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCCC[C@@H]2CCO)CC1	ZINC000585754624	551593446	/nfs/dbraw/zinc/59/34/46/551593446.db2.gz	SZEVSSBPTXAILQ-QZTJIDSGSA-N	1	0	350.507	1.306	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)C1	ZINC000587664367	551633371	/nfs/dbraw/zinc/63/33/71/551633371.db2.gz	HSGFONXYIROPEK-RDJZCZTQSA-N	1	0	356.470	1.830	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)c1cccc(C#N)c1	ZINC000587674974	551633880	/nfs/dbraw/zinc/63/38/80/551633880.db2.gz	ROROXVIXQXUVLO-BEFAXECRSA-N	1	0	368.481	1.926	20	30		FDEDRO
C[N@H+](CCOCc1ccc(C#N)cc1)C[C@@H]1CCN(S(C)(=O)=O)C1	ZINC000588978948	551702955	/nfs/dbraw/zinc/70/29/55/551702955.db2.gz	CKIPCUGNNKIWIE-KRWDZBQOSA-N	1	0	351.472	1.288	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)C2)nc1	ZINC000589886850	551749482	/nfs/dbraw/zinc/74/94/82/551749482.db2.gz	KJBDEZDEPFTYLX-IAGOWNOFSA-N	1	0	355.442	1.600	20	30		FDEDRO
C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000590005082	551756220	/nfs/dbraw/zinc/75/62/20/551756220.db2.gz	JSIAWNYQCVUYHS-UXHICEINSA-N	1	0	366.465	1.899	20	30		FDEDRO
C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000590005086	551756275	/nfs/dbraw/zinc/75/62/75/551756275.db2.gz	JSIAWNYQCVUYHS-WOJBJXKFSA-N	1	0	366.465	1.899	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)[C@H]2C1	ZINC000590046908	551757863	/nfs/dbraw/zinc/75/78/63/551757863.db2.gz	MQSZYOHZIMSVMZ-AEFFLSMTSA-N	1	0	354.454	1.876	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H](NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1	ZINC000590223724	551765850	/nfs/dbraw/zinc/76/58/50/551765850.db2.gz	NPQCGVBTETWXQA-ZDUSSCGKSA-N	1	0	356.348	1.813	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)CCc3ccc(C#N)cc3)CC2)C1=O	ZINC000590368494	551776756	/nfs/dbraw/zinc/77/67/56/551776756.db2.gz	CQYMVNQZBAKGOC-GOSISDBHSA-N	1	0	354.454	1.302	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)cc1	ZINC000590762711	551814133	/nfs/dbraw/zinc/81/41/33/551814133.db2.gz	COVUDIKNRQFXDG-LZWOXQAQSA-N	1	0	358.360	1.737	20	30		FDEDRO
CN1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)[C@H](C[NH3+])C1	ZINC000591278190	551855585	/nfs/dbraw/zinc/85/55/85/551855585.db2.gz	ZHTBBEGCRNLEEE-MRXNPFEDSA-N	1	0	366.425	1.852	20	30		FDEDRO
C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	ZINC000591307766	551860061	/nfs/dbraw/zinc/86/00/61/551860061.db2.gz	YISAOEKFFWAWCK-LRDDRELGSA-N	1	0	365.393	1.632	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1	ZINC000591308470	551860319	/nfs/dbraw/zinc/86/03/19/551860319.db2.gz	VQSBVEZBEXMRDN-CVEARBPZSA-N	1	0	370.453	1.744	20	30		FDEDRO
N#Cc1cccc(NC(=O)C2CCN(C(=O)NCC[NH2+]C3CC3)CC2)c1	ZINC000591359294	551865969	/nfs/dbraw/zinc/86/59/69/551865969.db2.gz	ZPYGXZSZMQMBHX-UHFFFAOYSA-N	1	0	355.442	1.670	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)NC[C@H]([NH3+])c3ccccc3)CC2)c1C#N	ZINC000591359732	551865998	/nfs/dbraw/zinc/86/59/98/551865998.db2.gz	VKALJSRHHKGPGE-KRWDZBQOSA-N	1	0	367.457	1.132	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)NCc3ccc4c(c3)C[NH2+]C4)CC2)c1	ZINC000591360313	551866259	/nfs/dbraw/zinc/86/62/59/551866259.db2.gz	JVVGKRWLNJFFLY-UHFFFAOYSA-N	1	0	362.437	1.588	20	30		FDEDRO
C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(C#N)c2Br)C1	ZINC000591413426	551868737	/nfs/dbraw/zinc/86/87/37/551868737.db2.gz	DCNMBLCBAUIWTF-NSHDSACASA-N	1	0	365.231	1.470	20	30		FDEDRO
CC[NH+]1CCC(N2CCCN(C(=O)COc3ccc(C#N)cc3)CC2)CC1	ZINC000591539555	551877019	/nfs/dbraw/zinc/87/70/19/551877019.db2.gz	IBGFGAOXPGCOQP-UHFFFAOYSA-N	1	0	370.497	1.956	20	30		FDEDRO
COc1cccc2c1OC[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)C2	ZINC000591733862	551904715	/nfs/dbraw/zinc/90/47/15/551904715.db2.gz	WGSQXXKTCPRHRU-SJORKVTESA-N	1	0	354.406	1.900	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2OCCc3ccccc32)nc1	ZINC000591739746	551905167	/nfs/dbraw/zinc/90/51/67/551905167.db2.gz	YSUIDBKYTQMUJA-KRWDZBQOSA-N	1	0	357.435	1.631	20	30		FDEDRO
CN(C)[C@]1(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CCSC1	ZINC000591748051	551905748	/nfs/dbraw/zinc/90/57/48/551905748.db2.gz	PMWVXGHDIQLOFX-INIZCTEOSA-N	1	0	353.513	1.359	20	30		FDEDRO
COc1cc(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)ccc1O	ZINC000591756735	551906406	/nfs/dbraw/zinc/90/64/06/551906406.db2.gz	WEPURWPYVFGDGY-UHFFFAOYSA-N	1	0	361.423	1.273	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)cc1	ZINC000591754798	551906411	/nfs/dbraw/zinc/90/64/11/551906411.db2.gz	ZGFPXGMXVGEWLX-ZWKOTPCHSA-N	1	0	357.454	1.679	20	30		FDEDRO
COc1cc(Br)ccc1C[NH2+]C[C@@H](O)CN(C)CCC#N	ZINC000591761086	551907019	/nfs/dbraw/zinc/90/70/19/551907019.db2.gz	NYVQIPLMVGFBBK-CQSZACIVSA-N	1	0	356.264	1.754	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)C1CC[NH+](C)CC1	ZINC000591885527	551913335	/nfs/dbraw/zinc/91/33/35/551913335.db2.gz	MNKXZSWUTFHCBL-GJZGRUSLSA-N	1	0	356.470	1.924	20	30		FDEDRO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@@H](CCC#N)c1ccccc1	ZINC000591957841	551920392	/nfs/dbraw/zinc/92/03/92/551920392.db2.gz	YNFSNVUHCQAFCQ-RDJZCZTQSA-N	1	0	357.458	1.793	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Cc2c(C)nc(-c3cccnc3)[nH]c2=O)CC1	ZINC000592069061	551935808	/nfs/dbraw/zinc/93/58/08/551935808.db2.gz	IMWKADSZUKFFSV-UHFFFAOYSA-N	1	0	367.453	1.862	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C(=O)NCc2ccccc2)C1	ZINC000592154848	551950984	/nfs/dbraw/zinc/95/09/84/551950984.db2.gz	KGTBHFVJZZTVKG-ZBFHGGJFSA-N	1	0	358.442	1.025	20	30		FDEDRO
CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)[C@@H]1SC	ZINC000592169762	551952938	/nfs/dbraw/zinc/95/29/38/551952938.db2.gz	QTSGXTKSHFWKLE-HPBDAGMYSA-N	1	0	350.484	1.991	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN(Cc1nnc(-c3cccc(C#N)c3)o1)CCO2	ZINC000592184115	551954942	/nfs/dbraw/zinc/95/49/42/551954942.db2.gz	ZCBFDJRVPIBQCW-UHFFFAOYSA-N	1	0	353.426	1.905	20	30		FDEDRO
CC(C)[NH+]1CCN(C2CCN(C(=O)Nc3cccc(C#N)n3)CC2)CC1	ZINC000592266102	551970284	/nfs/dbraw/zinc/97/02/84/551970284.db2.gz	YEVMFQAFVSPXJV-UHFFFAOYSA-N	1	0	356.474	1.976	20	30		FDEDRO
N#Cc1cccc(NC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)n1	ZINC000592266025	551970310	/nfs/dbraw/zinc/97/03/10/551970310.db2.gz	SHGCAJXWUPCMPP-QGZVFWFLSA-N	1	0	351.410	1.842	20	30		FDEDRO
CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccc(CC#N)cc1	ZINC000592336605	551981719	/nfs/dbraw/zinc/98/17/19/551981719.db2.gz	VFSCDXWTBSZJDP-LJQANCHMSA-N	1	0	370.497	1.996	20	30		FDEDRO
N#Cc1cnn2cc(CNC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)cnc12	ZINC000592504235	552003162	/nfs/dbraw/zinc/00/31/62/552003162.db2.gz	RDNFKYTUKQUMEX-MSOLQXFVSA-N	1	0	354.458	1.458	20	30		FDEDRO
COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1	ZINC000592529221	552005446	/nfs/dbraw/zinc/00/54/46/552005446.db2.gz	LPSYDPMLABVUPS-DOTOQJQBSA-N	1	0	369.425	1.215	20	30		FDEDRO
N#CC1(NC(=O)CN2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)CCC1	ZINC000593068473	552057660	/nfs/dbraw/zinc/05/76/60/552057660.db2.gz	ORVWFUFLNFCTGW-OALUTQOASA-N	1	0	368.481	1.524	20	30		FDEDRO
CC[N@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@H]1CCCOC1	ZINC000593066770	552057935	/nfs/dbraw/zinc/05/79/35/552057935.db2.gz	DOTPZKSJLUWWEP-HNNXBMFYSA-N	1	0	361.446	1.004	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCC3(CC3(F)F)CC2)CC1	ZINC000593071837	552058355	/nfs/dbraw/zinc/05/83/55/552058355.db2.gz	COORJPSRHXEVSC-OAHLLOKOSA-N	1	0	354.445	1.800	20	30		FDEDRO
C[C@]1(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCC(=O)NC1	ZINC000593350645	552094263	/nfs/dbraw/zinc/09/42/63/552094263.db2.gz	DHMXJMNBJIXXKJ-FQEVSTJZSA-N	1	0	354.454	1.555	20	30		FDEDRO
CC(=O)N1CCC[C@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000593352318	552094590	/nfs/dbraw/zinc/09/45/90/552094590.db2.gz	GFJAHLUYXHKJLJ-IBGZPJMESA-N	1	0	368.481	1.897	20	30		FDEDRO
CO[C@@]1(CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCOC1	ZINC000593391822	552101098	/nfs/dbraw/zinc/10/10/98/552101098.db2.gz	XTSUHSHZIHZMSM-HXUWFJFHSA-N	1	0	372.469	1.627	20	30		FDEDRO
COC(=O)[C@H]1CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000593510541	552119290	/nfs/dbraw/zinc/11/92/90/552119290.db2.gz	NAPNWIGMAICEMR-KRWDZBQOSA-N	1	0	370.453	1.727	20	30		FDEDRO
C[C@H]1OCC[C@@]1(O)CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593514629	552120537	/nfs/dbraw/zinc/12/05/37/552120537.db2.gz	XMBKCGOWLHFGNX-FOIQADDNSA-N	1	0	372.469	1.362	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@@H](CO)CC(F)F)CC2)c1	ZINC000593514174	552120811	/nfs/dbraw/zinc/12/08/11/552120811.db2.gz	SDMSLTVOKGJUPO-MRXNPFEDSA-N	1	0	366.412	1.838	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccsc1C#N	ZINC000593566457	552136346	/nfs/dbraw/zinc/13/63/46/552136346.db2.gz	HLMINEXKPHKPOX-JHJVBQTASA-N	1	0	355.485	1.492	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)c2ccsc2C#N)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000593567932	552137449	/nfs/dbraw/zinc/13/74/49/552137449.db2.gz	FOGJOKLVBMUAKI-KBPBESRZSA-N	1	0	368.528	1.266	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1	ZINC000593706478	552178497	/nfs/dbraw/zinc/17/84/97/552178497.db2.gz	LDNASWDHDBGELD-JENIJYKNSA-N	1	0	372.469	1.865	20	30		FDEDRO
C[NH2+]Cc1ccccc1CNC(=O)N1CCN(c2cnccc2C#N)CC1	ZINC000593717461	552181667	/nfs/dbraw/zinc/18/16/67/552181667.db2.gz	IHYBONKCQXLTFC-UHFFFAOYSA-N	1	0	364.453	1.704	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000593767695	552194568	/nfs/dbraw/zinc/19/45/68/552194568.db2.gz	RLSLODHHHAYGFP-NUTKFTJISA-N	1	0	374.416	1.381	20	30		FDEDRO
CSCCCNC(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593927132	552227111	/nfs/dbraw/zinc/22/71/11/552227111.db2.gz	WMAKPHPYLDCLEC-UHFFFAOYSA-N	1	0	374.510	1.508	20	30		FDEDRO
N#Cc1ccc2c(c1)CN(C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C2	ZINC000594224797	552266685	/nfs/dbraw/zinc/26/66/85/552266685.db2.gz	YAFPJMGVSPPUQR-MRXNPFEDSA-N	1	0	355.442	1.171	20	30		FDEDRO
N#Cc1ccc2c(c1)CN(C(=O)NC1CC[NH+]([C@@H]3CCC[C@H]3O)CC1)C2	ZINC000594231622	552268273	/nfs/dbraw/zinc/26/82/73/552268273.db2.gz	RJBKEYILWCKHOX-RTBURBONSA-N	1	0	354.454	1.961	20	30		FDEDRO
C[NH+](C)CCc1ccc(C(=O)N(CCC#N)CCN2CCOCC2)cc1	ZINC000594258663	552272189	/nfs/dbraw/zinc/27/21/89/552272189.db2.gz	TWZJCBKNVRUMSN-UHFFFAOYSA-N	1	0	358.486	1.479	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)ncc1C#N	ZINC000594288084	552278977	/nfs/dbraw/zinc/27/89/77/552278977.db2.gz	ICORQINGFMXLDE-ZDUSSCGKSA-N	1	0	357.458	1.827	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1	ZINC000594369607	552296771	/nfs/dbraw/zinc/29/67/71/552296771.db2.gz	PBCNWRXABPKXIV-LPHOPBHVSA-N	1	0	368.481	1.550	20	30		FDEDRO
C[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccccc1NS(C)(=O)=O	ZINC000594429316	552308472	/nfs/dbraw/zinc/30/84/72/552308472.db2.gz	SRFBOPFOYBJTQC-OCCSQVGLSA-N	1	0	352.460	1.647	20	30		FDEDRO
COc1cc(C(=O)N2CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC2)ccc1C	ZINC000594429848	552308505	/nfs/dbraw/zinc/30/85/05/552308505.db2.gz	XEUGYKRSAODPJS-KRWDZBQOSA-N	1	0	372.469	1.699	20	30		FDEDRO
C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccccc1NS(C)(=O)=O	ZINC000594429315	552308819	/nfs/dbraw/zinc/30/88/19/552308819.db2.gz	SRFBOPFOYBJTQC-JSGCOSHPSA-N	1	0	352.460	1.647	20	30		FDEDRO
CCCNS(=O)(=O)c1ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc1	ZINC000594429745	552308829	/nfs/dbraw/zinc/30/88/29/552308829.db2.gz	WCMMKXYEBUYQEN-HNNXBMFYSA-N	1	0	352.460	1.725	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1	ZINC000594432228	552309165	/nfs/dbraw/zinc/30/91/65/552309165.db2.gz	ZXAMZJZRMIAGAF-MRXNPFEDSA-N	1	0	373.453	1.991	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)NCCCCN1C(=O)c2ccccc2C1=O	ZINC000594434741	552309198	/nfs/dbraw/zinc/30/91/98/552309198.db2.gz	SGBNHRFPVBRLMH-INIZCTEOSA-N	1	0	356.426	1.590	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1	ZINC000594437346	552309618	/nfs/dbraw/zinc/30/96/18/552309618.db2.gz	LNZUGQHFOWZIKA-CVEARBPZSA-N	1	0	361.421	1.959	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1	ZINC000594438946	552310169	/nfs/dbraw/zinc/31/01/69/552310169.db2.gz	RHGZQTNLBLOHAF-QZTJIDSGSA-N	1	0	362.449	1.726	20	30		FDEDRO
C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@H]([NH3+])CCCCC#N	ZINC000594439172	552310434	/nfs/dbraw/zinc/31/04/34/552310434.db2.gz	SYGWXBBDHGYTLC-DLBZAZTESA-N	1	0	358.490	1.120	20	30		FDEDRO
Cc1cccc([C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)N2CCOCC2)c1	ZINC000594441732	552310793	/nfs/dbraw/zinc/31/07/93/552310793.db2.gz	VWDUJMHMCDHWSY-RTBURBONSA-N	1	0	358.486	1.896	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1	ZINC000594447156	552312191	/nfs/dbraw/zinc/31/21/91/552312191.db2.gz	UGICLUZQQSQMRZ-INIZCTEOSA-N	1	0	364.471	1.254	20	30		FDEDRO
CC(=O)N1CCN(Cc2ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc2)CC1	ZINC000594446272	552312285	/nfs/dbraw/zinc/31/22/85/552312285.db2.gz	OTNUSUOAMMCIKL-LJQANCHMSA-N	1	0	371.485	1.700	20	30		FDEDRO
N#Cc1ccc(NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)nc1N	ZINC000594564112	552334190	/nfs/dbraw/zinc/33/41/90/552334190.db2.gz	MHTBUPHDCGLTBX-UHFFFAOYSA-N	1	0	356.861	2.423	20	30		FDEDRO
C[C@H](C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)N1C[C@@H](C)O[C@@H](C)C1	ZINC000594577667	552336543	/nfs/dbraw/zinc/33/65/43/552336543.db2.gz	YFERFKPUMHHWBB-VXIBKDFQSA-N	1	0	361.486	1.580	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1	ZINC000594620166	552342278	/nfs/dbraw/zinc/34/22/78/552342278.db2.gz	BZNZVNDCXJJFTP-ROUUACIJSA-N	1	0	354.454	1.502	20	30		FDEDRO
CS(=O)(=O)CC1(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000594717775	552362348	/nfs/dbraw/zinc/36/23/48/552362348.db2.gz	GDTZENSWJABNLR-UHFFFAOYSA-N	1	0	370.496	1.136	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@]2(CO)COCCN2Cc2ccccc2)cc1	ZINC000594990227	552433269	/nfs/dbraw/zinc/43/32/69/552433269.db2.gz	ONKGFCJXDPECPY-NRFANRHFSA-N	1	0	351.450	1.911	20	30		FDEDRO
CCS(=O)(=O)C1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1	ZINC000594994871	552434551	/nfs/dbraw/zinc/43/45/51/552434551.db2.gz	WWOIYUCCSVLWGR-UHFFFAOYSA-N	1	0	373.482	1.916	20	30		FDEDRO
C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc(C#N)cc1F	ZINC000595106006	552452196	/nfs/dbraw/zinc/45/21/96/552452196.db2.gz	GMWZBYFYQWPATI-ZDUSSCGKSA-N	1	0	363.437	1.024	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1	ZINC000595114394	552455468	/nfs/dbraw/zinc/45/54/68/552455468.db2.gz	ZHVPXJNPXNYFLG-RCCFBDPRSA-N	1	0	363.483	1.606	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCC2([NH3+])CCCC2)cc1Br	ZINC000595120787	552457659	/nfs/dbraw/zinc/45/76/59/552457659.db2.gz	VTHOMWNNNZMOIH-UHFFFAOYSA-N	1	0	358.261	1.871	20	30		FDEDRO
C[C@H](CCNC(=O)C(=O)Nc1cccc(C#N)c1Br)[NH+](C)C	ZINC000595126426	552459431	/nfs/dbraw/zinc/45/94/31/552459431.db2.gz	XGIFJAVMDNNAAC-SNVBAGLBSA-N	1	0	367.247	1.716	20	30		FDEDRO
CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	ZINC000595153748	552469592	/nfs/dbraw/zinc/46/95/92/552469592.db2.gz	YYIHNLGCZRQKLJ-UHFFFAOYSA-N	1	0	369.450	1.640	20	30		FDEDRO
C[C@H](C#N)CN(C(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C1CC1	ZINC000595238299	552502078	/nfs/dbraw/zinc/50/20/78/552502078.db2.gz	CLELRJZHSQHVRA-CXAGYDPISA-N	1	0	356.426	1.437	20	30		FDEDRO
CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000595242614	552503525	/nfs/dbraw/zinc/50/35/25/552503525.db2.gz	VNHUSRXEEDTEPA-CYBMUJFWSA-N	1	0	367.247	1.749	20	30		FDEDRO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC2CC1(C[NH3+])C2	ZINC000595253451	552505692	/nfs/dbraw/zinc/50/56/92/552505692.db2.gz	VZEJKLSNIGLKMO-ZVLZOBCMSA-N	1	0	358.467	1.827	20	30		FDEDRO
CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000595264181	552508010	/nfs/dbraw/zinc/50/80/10/552508010.db2.gz	KYCURMZQVXDATJ-IAGOWNOFSA-N	1	0	357.458	1.726	20	30		FDEDRO
C[NH2+]C[C@@H](C)NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000595276428	552510381	/nfs/dbraw/zinc/51/03/81/552510381.db2.gz	ZEVBXRRMZVSRPV-GFCCVEGCSA-N	1	0	358.402	1.246	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)c(F)c1	ZINC000595279620	552511065	/nfs/dbraw/zinc/51/10/65/552511065.db2.gz	PROMNWFPJCUQAP-KRWDZBQOSA-N	1	0	372.444	1.552	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc1	ZINC000595284598	552511828	/nfs/dbraw/zinc/51/18/28/552511828.db2.gz	VIYYXUCJCPMDOF-IBGZPJMESA-N	1	0	368.481	1.607	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1	ZINC000595284165	552511850	/nfs/dbraw/zinc/51/18/50/552511850.db2.gz	NOVMQFBSHVMPLC-IBGZPJMESA-N	1	0	368.481	1.607	20	30		FDEDRO
N#CC1(CS(=O)(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CCCCC1	ZINC000595384021	552543980	/nfs/dbraw/zinc/54/39/80/552543980.db2.gz	HQNDDOWHLFVCTJ-INIZCTEOSA-N	1	0	355.504	1.321	20	30		FDEDRO
COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCc2ccc(C#N)cc2)C1	ZINC000595462048	552565708	/nfs/dbraw/zinc/56/57/08/552565708.db2.gz	PEERZCMXQOZUAZ-GOSISDBHSA-N	1	0	365.499	1.473	20	30		FDEDRO
CC(C)C[NH2+]C1(CO)CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000595512072	552576072	/nfs/dbraw/zinc/57/60/72/552576072.db2.gz	MCIBTADJTZZGQM-LJQANCHMSA-N	1	0	370.497	1.736	20	30		FDEDRO
CC(C)C[NH2+]C1(CO)CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1	ZINC000595511363	552576185	/nfs/dbraw/zinc/57/61/85/552576185.db2.gz	IVQAQMGKGAOSMK-QGZVFWFLSA-N	1	0	364.534	1.790	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(c2ccsc2C#N)CC1	ZINC000595555792	552583783	/nfs/dbraw/zinc/58/37/83/552583783.db2.gz	UPHIGEZSNWTRDG-ZFWWWQNUSA-N	1	0	359.499	1.934	20	30		FDEDRO
CCn1cc(CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)nn1	ZINC000595651834	552597452	/nfs/dbraw/zinc/59/74/52/552597452.db2.gz	FEZWSEFXXJNOIG-UHFFFAOYSA-N	1	0	367.457	1.633	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCc1ccc(C#N)cc1	ZINC000595690685	552603055	/nfs/dbraw/zinc/60/30/55/552603055.db2.gz	HFECFDCGDNMRQT-MRXNPFEDSA-N	1	0	356.470	1.995	20	30		FDEDRO
N#Cc1ccc(CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1	ZINC000595695148	552603468	/nfs/dbraw/zinc/60/34/68/552603468.db2.gz	OXFQIYAPGOYCDE-RTBURBONSA-N	1	0	356.470	1.778	20	30		FDEDRO
N#Cc1ccc(CCNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1	ZINC000595694992	552603538	/nfs/dbraw/zinc/60/35/38/552603538.db2.gz	XROLZVCUQFKLSJ-UHFFFAOYSA-N	1	0	356.470	1.855	20	30		FDEDRO
CSC[C@@H](O)C[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595730314	552607544	/nfs/dbraw/zinc/60/75/44/552607544.db2.gz	BJJTXQOYOWIVQR-INIZCTEOSA-N	1	0	357.483	1.794	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000595806971	552618064	/nfs/dbraw/zinc/61/80/64/552618064.db2.gz	NPMULKKKMGZJJV-FUHWJXTLSA-N	1	0	369.469	1.837	20	30		FDEDRO
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+]2CC[C@@H]3C[C@@H]3C2)CC1	ZINC000595809817	552618971	/nfs/dbraw/zinc/61/89/71/552618971.db2.gz	JOOUTHQXZXQFJE-ZHALLVOQSA-N	1	0	356.445	1.876	20	30		FDEDRO
N#CCSc1ccccc1NC(=O)CN1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC000595864629	552625478	/nfs/dbraw/zinc/62/54/78/552625478.db2.gz	UUJAHAMOXNAOJA-INIZCTEOSA-N	1	0	374.510	1.772	20	30		FDEDRO
CCC[N@H+](C)CC(C)(C)NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000595872709	552626819	/nfs/dbraw/zinc/62/68/19/552626819.db2.gz	FKSPQIDDNBCGTK-KRWDZBQOSA-N	1	0	351.539	1.389	20	30		FDEDRO
N#Cc1sccc1N1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1	ZINC000595938750	552635810	/nfs/dbraw/zinc/63/58/10/552635810.db2.gz	RMJIOONECKMKFE-LBPRGKRZSA-N	1	0	356.455	1.382	20	30		FDEDRO
C[NH2+]C[C@H](C)C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595969325	552639905	/nfs/dbraw/zinc/63/99/05/552639905.db2.gz	DOWJWMYJVWBFDZ-AWEZNQCLSA-N	1	0	352.442	1.452	20	30		FDEDRO
C[C@@]1(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CC[NH2+]C1	ZINC000595971498	552640276	/nfs/dbraw/zinc/64/02/76/552640276.db2.gz	QJAKAKXCIBDYJC-HXUWFJFHSA-N	1	0	364.453	1.597	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H](NC2CC[NH+]([C@@H]3CCOC3)CC2)C1=O	ZINC000596045312	552649216	/nfs/dbraw/zinc/64/92/16/552649216.db2.gz	BQMDVKHDBQCLGT-CVEARBPZSA-N	1	0	360.483	1.568	20	30		FDEDRO
C=CC[N@H+](C[C@@H](O)Cn1cccn1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000596213395	552665525	/nfs/dbraw/zinc/66/55/25/552665525.db2.gz	KHYIQTVFMQFVQP-MAUKXSAKSA-N	1	0	353.430	1.469	20	30		FDEDRO
N#Cc1cc2c(nc1NCc1ccc(C[N@H+]3CC[C@@H](O)C3)cc1)CCOC2	ZINC000596423093	552677930	/nfs/dbraw/zinc/67/79/30/552677930.db2.gz	JISNKABGINATTO-LJQANCHMSA-N	1	0	364.449	2.205	20	30		FDEDRO
CO[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@@H]1CCOC1	ZINC000596668632	552699206	/nfs/dbraw/zinc/69/92/06/552699206.db2.gz	SNRRLBONKGHNFH-RTBURBONSA-N	1	0	374.485	1.683	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCc2cncn2C1	ZINC000596828924	552715507	/nfs/dbraw/zinc/71/55/07/552715507.db2.gz	NZWLOHZRBWULFM-SFHVURJKSA-N	1	0	351.454	1.908	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N=c2ccn(C(C)(C)C(=O)OC)[nH]2)CC1	ZINC000597068013	552742519	/nfs/dbraw/zinc/74/25/19/552742519.db2.gz	NUQABQNSIQIQDH-UHFFFAOYSA-N	1	0	363.462	1.953	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)c1ccc(C#N)cc1	ZINC000597183667	552758779	/nfs/dbraw/zinc/75/87/79/552758779.db2.gz	CJKOYBMLOVHXAY-QAPCUYQASA-N	1	0	372.469	1.305	20	30		FDEDRO
N#CCCn1cc(CN2CC[NH+]([C@H]3CCOC3)CC2)c(-c2ccncc2)n1	ZINC000597202488	552760039	/nfs/dbraw/zinc/76/00/39/552760039.db2.gz	CRKVNWDOTVEVCQ-IBGZPJMESA-N	1	0	366.469	1.765	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@@](F)(C#N)C1	ZINC000597309921	552773343	/nfs/dbraw/zinc/77/33/43/552773343.db2.gz	LXXXXNGDAGBSMY-RVKKMQEKSA-N	1	0	360.437	1.832	20	30		FDEDRO
C[NH+](C)C[C@H](CO)NC(=O)c1cccc(COc2ccccc2C#N)c1	ZINC000597654127	552817988	/nfs/dbraw/zinc/81/79/88/552817988.db2.gz	OUBJHBQTBALJJJ-GOSISDBHSA-N	1	0	353.422	1.790	20	30		FDEDRO
N#CCn1c(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc2ccccc21	ZINC000598452097	552897019	/nfs/dbraw/zinc/89/70/19/552897019.db2.gz	GYPAPIWLIMKMFL-QGZVFWFLSA-N	1	0	352.438	1.836	20	30		FDEDRO
CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC000598452498	552897256	/nfs/dbraw/zinc/89/72/56/552897256.db2.gz	KKENWBCEILHNQP-KRWDZBQOSA-N	1	0	357.454	1.773	20	30		FDEDRO
CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)C[C@H](O)CC(C)(C)C#N)CC1	ZINC000598617458	552916272	/nfs/dbraw/zinc/91/62/72/552916272.db2.gz	RPTISHCDVIZDHE-GOEBONIOSA-N	1	0	359.536	1.669	20	30		FDEDRO
CCn1nncc1CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000599091342	552966425	/nfs/dbraw/zinc/96/64/25/552966425.db2.gz	FQPZBXBRCKVQNB-UHFFFAOYSA-N	1	0	367.457	1.633	20	30		FDEDRO
C[N@@H+]1CCCC[C@H](CNC(=O)N2CCN(c3cnccc3C#N)CC2)C1	ZINC000599156866	552976057	/nfs/dbraw/zinc/97/60/57/552976057.db2.gz	IXPLBJOTNCEANA-MRXNPFEDSA-N	1	0	356.474	1.517	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1	ZINC000599165326	552977589	/nfs/dbraw/zinc/97/75/89/552977589.db2.gz	QCUHOUWVEGWPEW-GOSISDBHSA-N	1	0	356.470	1.843	20	30		FDEDRO
CN1CCOC[C@H]1CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000599196241	552982600	/nfs/dbraw/zinc/98/26/00/552982600.db2.gz	WLRLEPNVDRYLPX-MRXNPFEDSA-N	1	0	358.442	1.442	20	30		FDEDRO
CCCCNC(=O)[C@@H]1CCC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000599276655	553012419	/nfs/dbraw/zinc/01/24/19/553012419.db2.gz	DEJOXNCUKKNCBS-IAGOWNOFSA-N	1	0	351.491	1.686	20	30		FDEDRO
N#Cc1ccccc1N1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1	ZINC000599280288	553013876	/nfs/dbraw/zinc/01/38/76/553013876.db2.gz	ALRVSBNYVFKDLJ-SFHVURJKSA-N	1	0	354.454	1.752	20	30		FDEDRO
Cc1nc(N2CC[NH+](C[C@H](O)CC3(C#N)CCOCC3)CC2)sc1C	ZINC000599335955	553030594	/nfs/dbraw/zinc/03/05/94/553030594.db2.gz	GSCVBOBVYOVXFR-MRXNPFEDSA-N	1	0	364.515	1.953	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccn1)C[C@H](O)COc1ccccc1C#N	ZINC000599431873	553055602	/nfs/dbraw/zinc/05/56/02/553055602.db2.gz	RSFBYVHHHOLEKH-IBGZPJMESA-N	1	0	354.454	1.757	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C	ZINC000599441613	553057681	/nfs/dbraw/zinc/05/76/81/553057681.db2.gz	FHUMYFIDYZEPGG-RYRKJORJSA-N	1	0	364.515	1.823	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCCC(F)(F)CC3)CC2)o1	ZINC000599552723	553085356	/nfs/dbraw/zinc/08/53/56/553085356.db2.gz	NAIFUOKSIPZQIP-UHFFFAOYSA-N	1	0	367.400	1.625	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)CC1(C)COC1	ZINC000599571673	553092135	/nfs/dbraw/zinc/09/21/35/553092135.db2.gz	PVEFODUARWHYIB-SFHVURJKSA-N	1	0	374.460	1.503	20	30		FDEDRO
C[NH2+]CCOCCN(C)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000599605153	553101606	/nfs/dbraw/zinc/10/16/06/553101606.db2.gz	UNOOPGHONLPGPG-UHFFFAOYSA-N	1	0	360.393	1.583	20	30		FDEDRO
CC1(N2CCOCC2)CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1	ZINC000599623122	553106090	/nfs/dbraw/zinc/10/60/90/553106090.db2.gz	SCDVIWMHBHNXHA-QGZVFWFLSA-N	1	0	351.491	1.244	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2C[C@@H](C(N)=O)C2)cc1	ZINC000599647052	553112315	/nfs/dbraw/zinc/11/23/15/553112315.db2.gz	NOYMKUQZMPQDNL-FZNQNYSPSA-N	1	0	358.442	1.528	20	30		FDEDRO
N#CC1(NC(=O)c2ccc(C(N)=O)[nH]2)CC[NH+](Cc2ccccc2)CC1	ZINC000599748263	553136982	/nfs/dbraw/zinc/13/69/82/553136982.db2.gz	AKBQSANOBXEESS-UHFFFAOYSA-N	1	0	351.410	1.402	20	30		FDEDRO
COc1cc(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c(F)cc1C#N	ZINC000599807645	553153376	/nfs/dbraw/zinc/15/33/76/553153376.db2.gz	DECGEDMBKFWRRE-LLVKDONJSA-N	1	0	363.393	1.290	20	30		FDEDRO
COc1cc(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(F)cc1C#N	ZINC000599818118	553154851	/nfs/dbraw/zinc/15/48/51/553154851.db2.gz	UGNDREZOVKEBAY-JKSUJKDBSA-N	1	0	362.405	1.769	20	30		FDEDRO
COc1cc(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c(F)cc1C#N	ZINC000599819084	553154865	/nfs/dbraw/zinc/15/48/65/553154865.db2.gz	JTVIIGXLQISCJB-ZDUSSCGKSA-N	1	0	363.437	1.711	20	30		FDEDRO
N#Cc1ccsc1NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1	ZINC000599901038	553171575	/nfs/dbraw/zinc/17/15/75/553171575.db2.gz	XLVZOHNUMJKZKO-UWVGGRQHSA-N	1	0	360.361	1.544	20	30		FDEDRO
C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	ZINC000599903836	553172086	/nfs/dbraw/zinc/17/20/86/553172086.db2.gz	OBHVDOMAWYNRMO-YVEFUNNKSA-N	1	0	365.393	1.551	20	30		FDEDRO
C[C@@H]1CC[C@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[NH2+]1	ZINC000599919425	553174354	/nfs/dbraw/zinc/17/43/54/553174354.db2.gz	WGIIIFDODWSRLN-COXVUDFISA-N	1	0	355.442	1.099	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](C(=O)N3CC[C@H]([N@@H+]4CC[C@H](O)C4)C3)C2)c(F)c1	ZINC000599940109	553179878	/nfs/dbraw/zinc/17/98/78/553179878.db2.gz	LFFQZXUPWFWLTG-ULQDDVLXSA-N	1	0	372.444	1.191	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(F)cc1C#N	ZINC000599951734	553183649	/nfs/dbraw/zinc/18/36/49/553183649.db2.gz	ILZONKVYIWWVGS-AGUYFDCRSA-N	1	0	374.416	1.776	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NCC[N@H+](C)C2CCCC2)c(F)cc1C#N	ZINC000599953530	553184040	/nfs/dbraw/zinc/18/40/40/553184040.db2.gz	SSSQMKNMEVNOQR-UHFFFAOYSA-N	1	0	362.405	1.635	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(F)cc1C#N	ZINC000599955907	553184579	/nfs/dbraw/zinc/18/45/79/553184579.db2.gz	LQNORESTQKSOPL-JQWIXIFHSA-N	1	0	360.389	1.386	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)ccc1C#N	ZINC000600013364	553200594	/nfs/dbraw/zinc/20/05/94/553200594.db2.gz	YKADHPYARDZXOX-INIZCTEOSA-N	1	0	355.442	1.723	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]CC[C@@H](O)COCc3ccccc3)cnc12	ZINC000600212533	553231140	/nfs/dbraw/zinc/23/11/40/553231140.db2.gz	FUPQPHJTIYEQEY-GOSISDBHSA-N	1	0	351.410	1.658	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H]3CCCC[N@@H+](C)C3)CC2)o1	ZINC000600313849	553247610	/nfs/dbraw/zinc/24/76/10/553247610.db2.gz	KOIFVWPMFOQYGK-OAHLLOKOSA-N	1	0	359.474	1.919	20	30		FDEDRO
Cc1ccc(CN2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1C#N	ZINC000600708246	553305402	/nfs/dbraw/zinc/30/54/02/553305402.db2.gz	DTHHDYNYLHXSSK-MOPGFXCFSA-N	1	0	353.470	1.587	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]Cc2cccc(N3CCCC3=O)c2)CCOCC1	ZINC000600716924	553306283	/nfs/dbraw/zinc/30/62/83/553306283.db2.gz	HVHOERJNHPPSKR-GOSISDBHSA-N	1	0	357.454	1.974	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]CCOc1ccc2c(c1)OCO2	ZINC000600717922	553306708	/nfs/dbraw/zinc/30/67/08/553306708.db2.gz	UDUFFJCKUKWIAV-OAHLLOKOSA-N	1	0	356.378	1.695	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)CC1	ZINC000600719755	553306781	/nfs/dbraw/zinc/30/67/81/553306781.db2.gz	WIOFKAIHLQTBDM-SFHVURJKSA-N	1	0	356.470	1.734	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]CC(=O)N1CCCc2ccccc21	ZINC000600721087	553307133	/nfs/dbraw/zinc/30/71/33/553307133.db2.gz	LIGSYEHPWIIHDY-SFHVURJKSA-N	1	0	365.433	1.867	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]CCNC(=O)Cc2cccc(F)c2)CCOCC1	ZINC000600721627	553307190	/nfs/dbraw/zinc/30/71/90/553307190.db2.gz	CYMJMADVTDNWAW-QGZVFWFLSA-N	1	0	363.433	1.145	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]CCCN2C(=O)COc3ccccc32)CCOCC1	ZINC000600723191	553307715	/nfs/dbraw/zinc/30/77/15/553307715.db2.gz	KEHGRROYOSNVRT-INIZCTEOSA-N	1	0	373.453	1.463	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)CCOCC1	ZINC000600738444	553309677	/nfs/dbraw/zinc/30/96/77/553309677.db2.gz	IPLNVUWFMJJWHG-LSDHHAIUSA-N	1	0	361.417	1.592	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CS(=O)(=O)c2ccccc21	ZINC000600740469	553309694	/nfs/dbraw/zinc/30/96/94/553309694.db2.gz	VKMRZJLGOCSWNY-HOTGVXAUSA-N	1	0	372.446	1.459	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)CC1	ZINC000600742451	553309891	/nfs/dbraw/zinc/30/98/91/553309891.db2.gz	WEGLMAHIEQWBMJ-CQSZACIVSA-N	1	0	350.850	1.917	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)CCOCC1	ZINC000600742530	553309932	/nfs/dbraw/zinc/30/99/32/553309932.db2.gz	WTUFROPPQOHQHX-MSOLQXFVSA-N	1	0	372.469	1.954	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)CCOCC1	ZINC000600749758	553310835	/nfs/dbraw/zinc/31/08/35/553310835.db2.gz	RKLDYVWRIGCMSC-KZNAEPCWSA-N	1	0	363.502	1.291	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]C[C@H](CO)Cc2ccncc2Cl)CCOCC1	ZINC000600749665	553311039	/nfs/dbraw/zinc/31/10/39/553311039.db2.gz	QULWQWPKXDWPCC-ZBFHGGJFSA-N	1	0	367.877	1.547	20	30		FDEDRO
N#Cc1ccccc1COc1cccc(C(=O)NCC[N@H+]2CC[C@H](O)C2)c1	ZINC000600808247	553317179	/nfs/dbraw/zinc/31/71/79/553317179.db2.gz	NOTVDPBOSSYTOT-IBGZPJMESA-N	1	0	365.433	1.934	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(c2cc(C#N)nc(C3CC3)n2)CC1	ZINC000601164403	553354869	/nfs/dbraw/zinc/35/48/69/553354869.db2.gz	CMHKBLNDBCCCOR-UHFFFAOYSA-N	1	0	359.474	1.789	20	30		FDEDRO
N#CCc1ccccc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1	ZINC000601342305	553379962	/nfs/dbraw/zinc/37/99/62/553379962.db2.gz	BOBHVDQVUFSORF-QWHCGFSZSA-N	1	0	361.389	1.900	20	30		FDEDRO
Cc1cc(F)cc(C#N)c1S(=O)(=O)NCC1([NH+](C)C)CCOCC1	ZINC000601346145	553381277	/nfs/dbraw/zinc/38/12/77/553381277.db2.gz	NJXAMOJZXMZQDS-UHFFFAOYSA-N	1	0	355.435	1.395	20	30		FDEDRO
N#Cc1cc(F)ccc1S(=O)(=O)N1CCC([N@@H+]2CCCOCC2)CC1	ZINC000601439092	553405840	/nfs/dbraw/zinc/40/58/40/553405840.db2.gz	BNDJWFPJWRKULE-UHFFFAOYSA-N	1	0	367.446	1.573	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]2C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1	ZINC000601648949	553452879	/nfs/dbraw/zinc/45/28/79/553452879.db2.gz	VARGDFNNDAITRM-MOPGFXCFSA-N	1	0	356.470	1.490	20	30		FDEDRO
N#Cc1ccccc1CSCC[NH2+]C[C@@H](O)CC1(O)CCOCC1	ZINC000601963701	553496597	/nfs/dbraw/zinc/49/65/97/553496597.db2.gz	FSZPFXISERZMJT-KRWDZBQOSA-N	1	0	350.484	1.674	20	30		FDEDRO
Cn1ncc(Br)c1C[NH2+]C[C@H](O)CC1(C#N)CCOCC1	ZINC000601969550	553497667	/nfs/dbraw/zinc/49/76/67/553497667.db2.gz	VROYGQNHDQMPLP-LLVKDONJSA-N	1	0	357.252	1.344	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCCS(=O)(=O)CC3)C2=O)cc1	ZINC000602016216	553501755	/nfs/dbraw/zinc/50/17/55/553501755.db2.gz	DIKNVAXJFSUIIB-IAGOWNOFSA-N	1	0	361.467	1.216	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC(Nc2ccccc2C#N)CC1	ZINC000602191807	553536432	/nfs/dbraw/zinc/53/64/32/553536432.db2.gz	LZDCIAAROARXCD-MRXNPFEDSA-N	1	0	356.470	1.929	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c(F)c1	ZINC000602243058	553546912	/nfs/dbraw/zinc/54/69/12/553546912.db2.gz	DRCHJKVXDVTJND-QGZVFWFLSA-N	1	0	372.444	1.837	20	30		FDEDRO
N#Cc1ccc(CCNC(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)cc1	ZINC000602518192	553597027	/nfs/dbraw/zinc/59/70/27/553597027.db2.gz	LTJXVOGOCREPCS-CYBMUJFWSA-N	1	0	360.368	1.594	20	30		FDEDRO
N#Cc1cccc(CNCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)n1	ZINC000602546641	553603920	/nfs/dbraw/zinc/60/39/20/553603920.db2.gz	DQBPXAYVSSCLJI-GOSISDBHSA-N	1	0	363.465	1.940	20	30		FDEDRO
CN(C(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F)[C@@H]1CCC[C@@H]1C#N	ZINC000602603527	553611064	/nfs/dbraw/zinc/61/10/64/553611064.db2.gz	UBUZALQACQDENI-ZYHUDNBSSA-N	1	0	352.389	1.904	20	30		FDEDRO
N#Cc1cccc(C[NH2+]C[C@@]2(CO)COCCN2Cc2ccccc2)n1	ZINC000602712204	553626039	/nfs/dbraw/zinc/62/60/39/553626039.db2.gz	BMZPOJQUGRYZHC-HXUWFJFHSA-N	1	0	352.438	1.306	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCN(C)C[C@@H]1CO	ZINC000602904673	553665273	/nfs/dbraw/zinc/66/52/73/553665273.db2.gz	JNMWZUAJJDRBDM-HUUCEWRRSA-N	1	0	362.499	1.485	20	30		FDEDRO
CC(=O)N[C@H]1CCCN(C(=O)C[NH+]2CCC(c3ccc(C#N)cn3)CC2)C1	ZINC000602909265	553666213	/nfs/dbraw/zinc/66/62/13/553666213.db2.gz	LCBQSUOJPOZVCR-SFHVURJKSA-N	1	0	369.469	1.260	20	30		FDEDRO
C[C@@]1(CO)C[C@@H](O)CN1CC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000602908361	553666504	/nfs/dbraw/zinc/66/65/04/553666504.db2.gz	OKOZOUFORRJZJA-XIKOKIGWSA-N	1	0	363.483	1.645	20	30		FDEDRO
C[NH+](C)C[C@@H]1COC2(CCCC2)CN1CC(=O)NC1(C#N)CCCCC1	ZINC000602911784	553667685	/nfs/dbraw/zinc/66/76/85/553667685.db2.gz	GHCLRUWBDSKWLJ-QGZVFWFLSA-N	1	0	362.518	1.904	20	30		FDEDRO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1	ZINC000602935391	553673881	/nfs/dbraw/zinc/67/38/81/553673881.db2.gz	LXSIAPMXQSNTON-KZNSZHANSA-N	1	0	374.485	1.290	20	30		FDEDRO
N#CCCCC[NH+]1CCN(c2ncc(I)cn2)CC1	ZINC000602956482	553679396	/nfs/dbraw/zinc/67/93/96/553679396.db2.gz	RKIBOAWWJIKTTH-UHFFFAOYSA-N	1	0	371.226	1.897	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)c1	ZINC000603031342	553697850	/nfs/dbraw/zinc/69/78/50/553697850.db2.gz	ALJKGTKYHZDTAN-GOSISDBHSA-N	1	0	371.485	1.785	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F	ZINC000603142766	553714838	/nfs/dbraw/zinc/71/48/38/553714838.db2.gz	FHESUBLRQOFXSK-FPMFFAJLSA-N	1	0	373.375	1.511	20	30		FDEDRO
CC[NH2+]Cc1ccn(Cc2cn(CCOc3ccccc3C#N)nn2)n1	ZINC000603211568	553733893	/nfs/dbraw/zinc/73/38/93/553733893.db2.gz	NCUQXUZZXBUMAN-UHFFFAOYSA-N	1	0	351.414	1.583	20	30		FDEDRO
COCC[NH2+]Cc1ccn(Cc2cn(Cc3cc(F)ccc3C#N)nn2)n1	ZINC000603216979	553734753	/nfs/dbraw/zinc/73/47/53/553734753.db2.gz	IKEJNNDJZZNFHJ-UHFFFAOYSA-N	1	0	369.404	1.318	20	30		FDEDRO
COCC[C@@H]([NH3+])Cc1cn(Cc2cc(C#N)ccc2Br)nn1	ZINC000603241398	553740622	/nfs/dbraw/zinc/74/06/22/553740622.db2.gz	LSKAFMTXHRIEQF-CYBMUJFWSA-N	1	0	364.247	1.867	20	30		FDEDRO
COCC[NH2+]CCc1cn(Cc2ccc(C#N)cc2Br)nn1	ZINC000603243792	553740985	/nfs/dbraw/zinc/74/09/85/553740985.db2.gz	NYUBPDPLDRVOST-UHFFFAOYSA-N	1	0	364.247	1.739	20	30		FDEDRO
C[C@H]1COCC[C@@H]1S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000603273456	553750033	/nfs/dbraw/zinc/75/00/33/553750033.db2.gz	QDILDLAMKHVOGQ-YJBOKZPZSA-N	1	0	365.499	1.677	20	30		FDEDRO
C[C@H](CNc1ccc(C#N)cc1CS(N)(=O)=O)[N@@H+]1CCC[C@H](C)C1	ZINC000603284050	553753768	/nfs/dbraw/zinc/75/37/68/553753768.db2.gz	NZSTVQRVGYZTRT-UONOGXRCSA-N	1	0	350.488	1.879	20	30		FDEDRO
N#Cc1c(F)cccc1C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000603409780	553781853	/nfs/dbraw/zinc/78/18/53/553781853.db2.gz	CDERJDCZCCQPIO-OAHLLOKOSA-N	1	0	360.433	1.224	20	30		FDEDRO
N#Cc1cc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ncc1Br	ZINC000603413451	553782313	/nfs/dbraw/zinc/78/23/13/553782313.db2.gz	XGCCPGYNQCXHFW-CYBMUJFWSA-N	1	0	351.248	1.751	20	30		FDEDRO
N#Cc1ccsc1NC(=O)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1	ZINC000603832908	553819856	/nfs/dbraw/zinc/81/98/56/553819856.db2.gz	BZCOUEZVEVFPJK-AWEZNQCLSA-N	1	0	362.455	1.272	20	30		FDEDRO
CN(C(=O)CN1CCC[N@H+](C[C@H]2CCCO2)CC1)C1(C#N)CCCCC1	ZINC000603847981	553820718	/nfs/dbraw/zinc/82/07/18/553820718.db2.gz	ILSWJGNEUQBJSP-GOSISDBHSA-N	1	0	362.518	1.858	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)nc1	ZINC000604290555	553859378	/nfs/dbraw/zinc/85/93/78/553859378.db2.gz	ZOMHMGNGFAOJOJ-SJORKVTESA-N	1	0	354.458	1.412	20	30		FDEDRO
CC(C)[N@H+](C)CC1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1	ZINC000608890523	554327540	/nfs/dbraw/zinc/32/75/40/554327540.db2.gz	JMYUMESJBBULDJ-UHFFFAOYSA-N	1	0	356.470	1.867	20	30		FDEDRO
C[NH+](C)CCOc1cccc(CNC(=O)NC2CCN(CC#N)CC2)c1	ZINC000609336617	554367894	/nfs/dbraw/zinc/36/78/94/554367894.db2.gz	CRSGQPBXBFJGAY-UHFFFAOYSA-N	1	0	359.474	1.414	20	30		FDEDRO
N#Cc1ccc([C@@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)C(N)=O)cc1	ZINC000609825180	554425866	/nfs/dbraw/zinc/42/58/66/554425866.db2.gz	JXSLPIFFLCVKPJ-LJQANCHMSA-N	1	0	362.433	1.979	20	30		FDEDRO
C[C@@H](NC(=O)N1CCN(c2cc(C#N)ccn2)CC1)C1CC[NH+](C)CC1	ZINC000610027951	554449981	/nfs/dbraw/zinc/44/99/81/554449981.db2.gz	TXBVYNCMZFIMSR-OAHLLOKOSA-N	1	0	356.474	1.515	20	30		FDEDRO
CC(C)[C@H](CNS(=O)(=O)c1ccc(C#N)cc1F)N1CC[NH+](C)CC1	ZINC000610266007	554484920	/nfs/dbraw/zinc/48/49/20/554484920.db2.gz	DOERTRIKAKVCLG-INIZCTEOSA-N	1	0	368.478	1.248	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(Cc3nnc(-c4cccc(C#N)c4)o3)CC2)C1	ZINC000610391188	554499396	/nfs/dbraw/zinc/49/93/96/554499396.db2.gz	BPFFMWGVWOPGRE-SFHVURJKSA-N	1	0	366.469	1.820	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC[N@@H+]1C	ZINC000610404714	554500664	/nfs/dbraw/zinc/50/06/64/554500664.db2.gz	ROWWMDFUNBKVHK-HIFRSBDPSA-N	1	0	372.473	1.738	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)CN2CC[NH+](C[C@@H]3CCOC3)CC2)cc1	ZINC000610538533	554525649	/nfs/dbraw/zinc/52/56/49/554525649.db2.gz	UEOSVGVTEOSREC-OALUTQOASA-N	1	0	359.470	1.146	20	30		FDEDRO
COC(=O)C[C@@H]1CSCC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1	ZINC000610781377	554561675	/nfs/dbraw/zinc/56/16/75/554561675.db2.gz	RCMOWZKARJDTOL-CVEARBPZSA-N	1	0	364.467	1.473	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+]C3CCN(c4cnccn4)CC3)CC2)nc1	ZINC000610809647	554565350	/nfs/dbraw/zinc/56/53/50/554565350.db2.gz	KCSZWLZNVYBROW-UHFFFAOYSA-N	1	0	363.469	1.971	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CN(C)c2ccc(Cl)cn2)c1C#N	ZINC000611166584	554611179	/nfs/dbraw/zinc/61/11/79/554611179.db2.gz	UXIUJBWXGRHXGQ-UHFFFAOYSA-N	1	0	361.837	1.557	20	30		FDEDRO
N#CCN1CCC([NH2+][C@@H](C(N)=O)c2cccc(Br)c2)CC1	ZINC000611198260	554614393	/nfs/dbraw/zinc/61/43/93/554614393.db2.gz	SCIVKBDUJMICAD-CQSZACIVSA-N	1	0	351.248	1.553	20	30		FDEDRO
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1	ZINC000611558910	554646169	/nfs/dbraw/zinc/64/61/69/554646169.db2.gz	ZVKOVPXZKDLMLP-KXBFYZLASA-N	1	0	365.474	1.618	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000611679988	554664612	/nfs/dbraw/zinc/66/46/12/554664612.db2.gz	FUANLYVCTKGZKL-UYAOXDASSA-N	1	0	359.470	1.211	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000611993018	554716349	/nfs/dbraw/zinc/71/63/49/554716349.db2.gz	UWLACAJBJORJQG-NVXWUHKLSA-N	1	0	374.460	1.751	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CCC[C@](C)(C#N)C2)c1	ZINC000612118837	554736425	/nfs/dbraw/zinc/73/64/25/554736425.db2.gz	ALRPMGZEGIQBNA-HXUWFJFHSA-N	1	0	371.485	1.813	20	30		FDEDRO
C=C(C)CN(C)c1nnc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1C[C@@H]1CCOC1	ZINC000612152753	554742600	/nfs/dbraw/zinc/74/26/00/554742600.db2.gz	RBPICRBWLFORAN-BBWFWOEESA-N	1	0	361.490	1.863	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1	ZINC000612724029	554830599	/nfs/dbraw/zinc/83/05/99/554830599.db2.gz	RBGMZSNTMBFLKX-IBGZPJMESA-N	1	0	370.497	1.119	20	30		FDEDRO
CN(C)c1cc[nH+]cc1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000612735158	554832997	/nfs/dbraw/zinc/83/29/97/554832997.db2.gz	UUTLKVKBQQJGDZ-UHFFFAOYSA-N	1	0	366.425	1.847	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(c2cccc(C#N)n2)CC1)C1CC[NH+](C)CC1	ZINC000612812977	554843836	/nfs/dbraw/zinc/84/38/36/554843836.db2.gz	VXTNQLDDFUNDDA-HNNXBMFYSA-N	1	0	356.474	1.515	20	30		FDEDRO
C[N@@H+]1CC[C@](O)(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1	ZINC000613051422	554875971	/nfs/dbraw/zinc/87/59/71/554875971.db2.gz	ZEZBOIYJBBEVFA-IBGZPJMESA-N	1	0	367.409	1.934	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H](CO)[C@@H](C)c2ccccc2)CC1	ZINC000613390785	554920731	/nfs/dbraw/zinc/92/07/31/554920731.db2.gz	YZWHGJLOJWMULP-SXLOBPIMSA-N	1	0	372.513	1.433	20	30		FDEDRO
N#Cc1cc(O)cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)c1	ZINC000614374562	555044422	/nfs/dbraw/zinc/04/44/22/555044422.db2.gz	UACJGXGOGULZBE-YLJYHZDGSA-N	1	0	365.433	1.877	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000615225588	555174719	/nfs/dbraw/zinc/17/47/19/555174719.db2.gz	GFADYVIWHYBYQG-UWVAXJGDSA-N	1	0	367.534	1.909	20	30		FDEDRO
COc1ccc([C@H](CNC(=O)N2CC[C@@](F)(C#N)C2)[NH+](C)C)cc1OC	ZINC000615578120	555215963	/nfs/dbraw/zinc/21/59/63/555215963.db2.gz	VYMJYFQQDGAHCE-KBXCAEBGSA-N	1	0	364.421	1.954	20	30		FDEDRO
CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1	ZINC000615989395	555261553	/nfs/dbraw/zinc/26/15/53/555261553.db2.gz	RWFLNMHUJXXFNS-INIZCTEOSA-N	1	0	373.505	1.306	20	30		FDEDRO
COC(=O)COc1ccc(C[NH2+]C2CCN(CC#N)CC2)cc1[N+](=O)[O-]	ZINC000616089239	555269444	/nfs/dbraw/zinc/26/94/44/555269444.db2.gz	JMQJYVXEAVCMLF-UHFFFAOYSA-N	1	0	362.386	1.224	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C[C@H](O)COc1ccc(CC#N)cc1	ZINC000618766920	555675369	/nfs/dbraw/zinc/67/53/69/555675369.db2.gz	QDOZQEFNQSYWMI-XLIONFOSSA-N	1	0	373.497	1.677	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H]([NH2+]C[C@H]3CNc4ccnn4C3)C2=O)cc1	ZINC000619264807	555747500	/nfs/dbraw/zinc/74/75/00/555747500.db2.gz	MHVSIAYWWZKNCQ-IRXDYDNUSA-N	1	0	350.426	1.187	20	30		FDEDRO
CC[C@@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C[C@]2(CCOC2)O1	ZINC000619516256	555793610	/nfs/dbraw/zinc/79/36/10/555793610.db2.gz	RITIAQIWYWXZLY-NSHGMRRFSA-N	1	0	360.454	1.762	20	30		FDEDRO
C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000624990553	556686440	/nfs/dbraw/zinc/68/64/40/556686440.db2.gz	FPQKNJXWEAUYQT-HNNXBMFYSA-N	1	0	357.462	1.403	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1	ZINC000625457808	556813381	/nfs/dbraw/zinc/81/33/81/556813381.db2.gz	QITXDBNCXDXNIE-RTBURBONSA-N	1	0	352.434	1.673	20	30		FDEDRO
C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@H]1C[C@@H](O)C1	ZINC000626044434	556980892	/nfs/dbraw/zinc/98/08/92/556980892.db2.gz	DYDUSGBOQOJODR-FZNQNYSPSA-N	1	0	354.372	1.876	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC[N@H+]2CC[C@H](O)C2)cc1	ZINC000626323022	557053142	/nfs/dbraw/zinc/05/31/42/557053142.db2.gz	PFCCGYLFUBGGCN-SFHVURJKSA-N	1	0	372.469	1.689	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)cc1	ZINC000626845438	557191197	/nfs/dbraw/zinc/19/11/97/557191197.db2.gz	BSXJQDABGKHQGV-MRXNPFEDSA-N	1	0	373.457	1.389	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1	ZINC000627434838	557400559	/nfs/dbraw/zinc/40/05/59/557400559.db2.gz	VMLRYVMQRGDUIA-CVEARBPZSA-N	1	0	351.491	1.450	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)N(C)C1CC[NH2+]CC1	ZINC000631913743	558063818	/nfs/dbraw/zinc/06/38/18/558063818.db2.gz	HNFLYUWQGGPHHB-UHFFFAOYSA-N	1	0	353.488	1.612	20	30		FDEDRO
C=CCOc1ccccc1CNS(=O)(=O)CCCN1CC[NH+](C)CC1	ZINC000631942330	558070632	/nfs/dbraw/zinc/07/06/32/558070632.db2.gz	VIJNUIMPJFKBDM-UHFFFAOYSA-N	1	0	367.515	1.308	20	30		FDEDRO
C=C(C)CN(Cc1ccc(CO)o1)S(=O)(=O)CCC[NH+]1CCCC1	ZINC000632332023	558134720	/nfs/dbraw/zinc/13/47/20/558134720.db2.gz	WMDNJXZATVHNLL-UHFFFAOYSA-N	1	0	356.488	1.966	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)cc1	ZINC000632898341	558229588	/nfs/dbraw/zinc/22/95/88/558229588.db2.gz	RNBBGTWWVBPMLR-ZIAGYGMSSA-N	1	0	366.487	1.552	20	30		FDEDRO
O=C(NCC#Cc1cccc(F)c1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000521411676	567928883	/nfs/dbraw/zinc/92/88/83/567928883.db2.gz	XBZQTHSFRJLXNC-QGZVFWFLSA-N	1	0	372.444	1.031	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)NC[C@@H](C)[NH+](C)C)c(C#N)cn1CCOC	ZINC000481464449	567965839	/nfs/dbraw/zinc/96/58/39/567965839.db2.gz	MKZLHXQYPINSAZ-GFCCVEGCSA-N	1	0	365.434	1.254	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(S(=O)(=O)c2ccc(C#N)cc2C)CC1	ZINC000481500107	568002442	/nfs/dbraw/zinc/00/24/42/568002442.db2.gz	FKFPJKNYFQAVEE-UHFFFAOYSA-N	1	0	372.450	1.781	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000636833565	568124084	/nfs/dbraw/zinc/12/40/84/568124084.db2.gz	PVKPTDYRGCVPNG-SJORKVTESA-N	1	0	365.518	1.589	20	30		FDEDRO
CCC[N@H+](CC)C[C@@H](C)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000291558088	568198867	/nfs/dbraw/zinc/19/88/67/568198867.db2.gz	NPKPVGNWIRSFQH-OAHLLOKOSA-N	1	0	365.499	1.710	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1	ZINC000636935091	568209631	/nfs/dbraw/zinc/20/96/31/568209631.db2.gz	AKVLGIFNJPZIOP-JQHSSLGASA-N	1	0	363.502	1.607	20	30		FDEDRO
CC(C)(CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)N1CCOCC1	ZINC000291700693	568274106	/nfs/dbraw/zinc/27/41/06/568274106.db2.gz	PABHBHJUIHVOQG-MRXNPFEDSA-N	1	0	373.457	1.227	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1	ZINC000637012924	568302408	/nfs/dbraw/zinc/30/24/08/568302408.db2.gz	SKLCJVHHDBPSOJ-SFHVURJKSA-N	1	0	359.470	1.394	20	30		FDEDRO
C[C@@H]1CN2CCCC[C@@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000408289061	568329048	/nfs/dbraw/zinc/32/90/48/568329048.db2.gz	BLOFRRDIMHWARX-CHWSQXEVSA-N	1	0	364.427	1.714	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cnn(C)c2C)CC1	ZINC000365397842	568613460	/nfs/dbraw/zinc/61/34/60/568613460.db2.gz	VXHLHTSIOOPEEM-QAPCUYQASA-N	1	0	359.474	1.015	20	30		FDEDRO
CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)c1cc(C#N)cn1C	ZINC000328641849	571325795	/nfs/dbraw/zinc/32/57/95/571325795.db2.gz	YCPZTNKJGMGNHG-MAUKXSAKSA-N	1	0	354.458	1.785	20	30		FDEDRO
C=CCOCC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000735437900	598815050	/nfs/dbraw/zinc/81/50/50/598815050.db2.gz	SNGXWFORERBPLD-UHFFFAOYSA-N	1	0	356.430	1.104	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1	ZINC000272611797	674461079	/nfs/dbraw/zinc/46/10/79/674461079.db2.gz	KNORWFHHTHWTTP-YOEHRIQHSA-N	1	0	363.483	1.317	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+]Cc1c(C)nn(CC(=O)OC(C)C)c1C	ZINC000272824783	674478299	/nfs/dbraw/zinc/47/82/99/674478299.db2.gz	DFIBSLVRBSXDGY-UHFFFAOYSA-N	1	0	357.476	1.142	20	30		FDEDRO
C[NH+](C)CCNC(=O)C1CC[NH+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1	ZINC000737367362	600567379	/nfs/dbraw/zinc/56/73/79/600567379.db2.gz	JJFMMGRVAMVVIY-KRWDZBQOSA-N	1	0	358.442	1.074	20	30		FDEDRO
COCCOCCOCCCNC(=[NH2+])NCCc1ccc(OC)cc1	ZINC000274446759	674592170	/nfs/dbraw/zinc/59/21/70/674592170.db2.gz	JCNYLYCDJAZSLR-UHFFFAOYSA-N	1	0	353.463	1.212	20	30		FDEDRO
Cc1cc(S(=O)(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)ccc1C#N	ZINC000278006597	675077380	/nfs/dbraw/zinc/07/73/80/675077380.db2.gz	OBGNDQYHEMOODJ-CQSZACIVSA-N	1	0	350.488	1.029	20	30		FDEDRO
Cc1cc(S(=O)(=O)N(C)CCN(C)C2CC[NH+](C)CC2)ccc1C#N	ZINC000278106626	675094172	/nfs/dbraw/zinc/09/41/72/675094172.db2.gz	WYDQTKRHEMLGKE-UHFFFAOYSA-N	1	0	364.515	1.513	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1	ZINC000278519226	675148146	/nfs/dbraw/zinc/14/81/46/675148146.db2.gz	CIQMFJDYPLHUAQ-GFCCVEGCSA-N	1	0	350.444	1.588	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(NC[C@H]2CCCO2)=[NH+]C2CCCCC2)C1	ZINC000072738183	671395502	/nfs/dbraw/zinc/39/55/02/671395502.db2.gz	FVIBUKXATVMZRV-GDBMZVCRSA-N	1	0	357.520	1.468	20	30		FDEDRO
CC[NH+]=C(NC[C@@]1(N2CCOCC2)CCSC1)N1CCC(C)CC1	ZINC000073462967	671401439	/nfs/dbraw/zinc/40/14/39/671401439.db2.gz	MCQSPZREOCMDBJ-SFHVURJKSA-N	1	0	354.564	1.892	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ncc(CC)s2)CC1	ZINC000286737712	675901855	/nfs/dbraw/zinc/90/18/55/675901855.db2.gz	RWVLSURTSFCWOI-UHFFFAOYSA-N	1	0	364.515	1.821	20	30		FDEDRO
[NH2+]=C(NCCS(=O)(=O)c1ccccc1)N[C@H]1CCOc2ccccc21	ZINC000083032132	671470917	/nfs/dbraw/zinc/47/09/17/671470917.db2.gz	WXEJRMJNGHUOPU-INIZCTEOSA-N	1	0	359.451	1.888	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CCNS(=O)(=O)c2ccc(C#N)o2)cc1	ZINC000287061722	675911762	/nfs/dbraw/zinc/91/17/62/675911762.db2.gz	XAXHFGYDWFIRRA-UHFFFAOYSA-N	1	0	363.439	1.613	20	30		FDEDRO
CC[NH+]=C(NCCC(F)(F)F)N1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000085076662	671480900	/nfs/dbraw/zinc/48/09/00/671480900.db2.gz	QLMJXVBBPUKLFV-LBPRGKRZSA-N	1	0	350.385	1.228	20	30		FDEDRO
C[NH+]=C(NCC1CCSCC1)N[C@@H]1CCCN(c2cnn(C)c2)C1	ZINC000086910424	671484384	/nfs/dbraw/zinc/48/43/84/671484384.db2.gz	NFGFZQLKNQXEDK-OAHLLOKOSA-N	1	0	350.536	1.697	20	30		FDEDRO
CC[NH+]=C(NCC1(C)CCCC1)N1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000087156916	671485345	/nfs/dbraw/zinc/48/53/45/671485345.db2.gz	DKIXZMWHLOPRSG-MRXNPFEDSA-N	1	0	350.507	1.855	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C	ZINC000287064889	675911988	/nfs/dbraw/zinc/91/19/88/675911988.db2.gz	PPVSEBNTBKAHNC-DLBZAZTESA-N	1	0	351.491	1.440	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2C)cc1	ZINC000287078710	675912266	/nfs/dbraw/zinc/91/22/66/675912266.db2.gz	IGGIIAPTOPKBGA-GXTWGEPZSA-N	1	0	350.444	1.588	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC[NH+]2CCCCC2)cc1	ZINC000287487548	675917251	/nfs/dbraw/zinc/91/72/51/675917251.db2.gz	ZKIPXPICIGUQRO-CQSZACIVSA-N	1	0	364.471	1.980	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NCc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000104173150	671594791	/nfs/dbraw/zinc/59/47/91/671594791.db2.gz	QXVUGDDLAKGLGG-CQSZACIVSA-N	1	0	368.503	1.300	20	30		FDEDRO
C[NH+](C)CCNC(=O)CC1S/C(=N/c2cccc(Cl)c2)NC1=O	ZINC000106898562	671608711	/nfs/dbraw/zinc/60/87/11/671608711.db2.gz	UWXHTRQDEHIWCM-LBPRGKRZSA-N	1	0	354.863	1.627	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1CC(N)=NOCC(=O)N(C)Cc1ccc(F)cc1	ZINC000111179199	671631189	/nfs/dbraw/zinc/63/11/89/671631189.db2.gz	NDVLUGQRXRLYFB-CQSZACIVSA-N	1	0	350.438	1.947	20	30		FDEDRO
C[C@H](ON=C(N)C[N@@H+]1CCCC[C@@H]1C)C(=O)NCc1ccccc1F	ZINC000114630217	671650444	/nfs/dbraw/zinc/65/04/44/671650444.db2.gz	DEBKPPLTQWRTBM-KBPBESRZSA-N	1	0	350.438	1.994	20	30		FDEDRO
C[NH+]=C(NCCc1nc2c(s1)CCCC2)NCCN1CCOCC1	ZINC000120474833	671690520	/nfs/dbraw/zinc/69/05/20/671690520.db2.gz	YYXRWDUUJIIRGO-UHFFFAOYSA-N	1	0	351.520	1.062	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)Cn1cc(Br)ccc1=O	ZINC000121370287	671703453	/nfs/dbraw/zinc/70/34/53/671703453.db2.gz	RICDMLMYCLWWTG-CYBMUJFWSA-N	1	0	369.259	1.888	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)o1	ZINC000287896054	675935462	/nfs/dbraw/zinc/93/54/62/675935462.db2.gz	RVJZOXHNJDZUFB-OAHLLOKOSA-N	1	0	361.423	1.196	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Cn1cccc(C(F)(F)F)c1=O	ZINC000130805796	671797996	/nfs/dbraw/zinc/79/79/96/671797996.db2.gz	MEGWQHZCDXMLTB-UHFFFAOYSA-N	1	0	358.364	1.561	20	30		FDEDRO
CC(C)Oc1ccc(NC(=[NH2+])NC[C@H]2CCC[C@H]2NS(C)(=O)=O)cc1	ZINC000134109785	671826153	/nfs/dbraw/zinc/82/61/53/671826153.db2.gz	XZRCVSSOXFHXKL-CZUORRHYSA-N	1	0	368.503	1.918	20	30		FDEDRO
CC(C)NC(=[NH2+])NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1	ZINC000157001165	671963030	/nfs/dbraw/zinc/96/30/30/671963030.db2.gz	DSCUIUAUEVBNMH-UHFFFAOYSA-N	1	0	353.366	1.672	20	30		FDEDRO
C=CCn1c(C2CC2)nn(CN2CC[NH+](CC(C)(C)O)CC2)c1=S	ZINC000158586827	671980972	/nfs/dbraw/zinc/98/09/72/671980972.db2.gz	VJJGTSRKQCFWAF-UHFFFAOYSA-N	1	0	351.520	1.823	20	30		FDEDRO
CC[NH+]=C(NCc1cccc(OC)n1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158633429	671981792	/nfs/dbraw/zinc/98/17/92/671981792.db2.gz	SAVKDWJGQBGNGN-UHFFFAOYSA-N	1	0	354.476	1.065	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cn(CC(OCC)OCC)nn2)CC1	ZINC000171716983	672057815	/nfs/dbraw/zinc/05/78/15/672057815.db2.gz	RWNICDIHCIUPFQ-UHFFFAOYSA-N	1	0	351.451	1.057	20	30		FDEDRO
C[NH+]=C(NCc1ccc(Cl)s1)N1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000172285597	672066218	/nfs/dbraw/zinc/06/62/18/672066218.db2.gz	NHUZSQIOEOFVGZ-CYBMUJFWSA-N	1	0	370.906	1.800	20	30		FDEDRO
C=C(Br)CNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1	ZINC000181590005	672199091	/nfs/dbraw/zinc/19/90/91/672199091.db2.gz	LQTLRSHBXGOYDH-HNNXBMFYSA-N	1	0	368.275	1.961	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1cc(Cl)cc2c1OCC2	ZINC000184009842	672240315	/nfs/dbraw/zinc/24/03/15/672240315.db2.gz	QRPIAIDBCZQONX-UHFFFAOYSA-N	1	0	352.866	1.272	20	30		FDEDRO
C=CCN1C(=S)N=NC1c1sc(NC(=O)C[NH2+]C2CC2)nc1C	ZINC000237667254	672423919	/nfs/dbraw/zinc/42/39/19/672423919.db2.gz	RMVLJPJKFPCQNH-UHFFFAOYSA-N	1	0	350.473	1.875	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@]2(CO)CC[C@@H](C)C2)CC1	ZINC000249551599	672569616	/nfs/dbraw/zinc/56/96/16/672569616.db2.gz	IDUWEKOTAKMOJE-ZHALLVOQSA-N	1	0	350.507	1.162	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(N[C@@H]3C[C@@H]4OCCC[C@@H]34)=[NH+]C[C@H]2C1	ZINC000249942164	672585076	/nfs/dbraw/zinc/58/50/76/672585076.db2.gz	TWEDGZKJQXFWOB-XQLPTFJDSA-N	1	0	350.463	1.434	20	30		FDEDRO
C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N(C)Cc1cccc(F)c1	ZINC000261599839	672632992	/nfs/dbraw/zinc/63/29/92/672632992.db2.gz	BDJQXPVTFAXKGN-UHFFFAOYSA-N	1	0	370.494	1.505	20	30		FDEDRO
C[NH+]=C(NCc1cc(F)ccc1F)NCC1CCN(S(C)(=O)=O)CC1	ZINC000261658263	672644926	/nfs/dbraw/zinc/64/49/26/672644926.db2.gz	NLNROIGADCQJNM-UHFFFAOYSA-N	1	0	374.457	1.301	20	30		FDEDRO
C[NH+]=C(NC[C@]1(O)CCSC1)N1CCC(OC[C@@H]2CCCCO2)CC1	ZINC000261681514	672649984	/nfs/dbraw/zinc/64/99/84/672649984.db2.gz	HPWABZSTPDKVFH-FUHWJXTLSA-N	1	0	371.547	1.480	20	30		FDEDRO
CC[NH+]=C(NCC1(O)CCC1)N1CCN(c2nc(CC)ns2)CC1	ZINC000261682615	672650476	/nfs/dbraw/zinc/65/04/76/672650476.db2.gz	DGOAKZPEDDKLMY-UHFFFAOYSA-N	1	0	352.508	1.103	20	30		FDEDRO
C[NH+]=C(NCCN1CCCS1(=O)=O)N1CCSC2(CCCCC2)C1	ZINC000261713685	672657071	/nfs/dbraw/zinc/65/70/71/672657071.db2.gz	HMUTYDKRTBUNHK-UHFFFAOYSA-N	1	0	374.576	1.349	20	30		FDEDRO
CNC(=O)CC1CCN(C(NCC2(SC)CCOCC2)=[NH+]C)CC1	ZINC000261733943	672661165	/nfs/dbraw/zinc/66/11/65/672661165.db2.gz	JVCQGHOCGVGOMM-UHFFFAOYSA-N	1	0	356.536	1.322	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1COCCO1)N1CCC(OC[C@H]2CCCCO2)CC1	ZINC000261783027	672671662	/nfs/dbraw/zinc/67/16/62/672671662.db2.gz	QFGMHQQPFKDNFS-IAGOWNOFSA-N	1	0	355.479	1.027	20	30		FDEDRO
C[NH+]=C(NC[C@]1(N2CCOCC2)CCSC1)N[C@@H]1C[C@@H](OC)C1(C)C	ZINC000261808273	672675036	/nfs/dbraw/zinc/67/50/36/672675036.db2.gz	PPCWWESMVGMEIC-IIDMSEBBSA-N	1	0	370.563	1.173	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC3(CC[NH2+]C3)CC2)c1	ZINC000261854347	672683413	/nfs/dbraw/zinc/68/34/13/672683413.db2.gz	QTIWEPANGUWEQD-UHFFFAOYSA-N	1	0	363.483	1.367	20	30		FDEDRO
C[NH+]=C(NCc1cn2cc(Cl)ccc2n1)N1CCO[C@@H](COC)C1	ZINC000261914591	672693318	/nfs/dbraw/zinc/69/33/18/672693318.db2.gz	JQAKJVCWIOIJRJ-CQSZACIVSA-N	1	0	351.838	1.410	20	30		FDEDRO
C[NH+]=C(NCc1nccn1C(F)F)N1CC[C@@H](Oc2ccccn2)C1	ZINC000261933682	672696754	/nfs/dbraw/zinc/69/67/54/672696754.db2.gz	BXCAQUBXGMERHX-GFCCVEGCSA-N	1	0	350.373	1.902	20	30		FDEDRO
CCOc1ccc(CNC(=[NH+]C)N2CCS(=O)(=O)C(C)(C)C2)cc1F	ZINC000261941553	672698405	/nfs/dbraw/zinc/69/84/05/672698405.db2.gz	DPQBVDPQEIPIPQ-UHFFFAOYSA-N	1	0	371.478	1.809	20	30		FDEDRO
C=C(Cl)CNC(=[NH+]CC)N1CCN([C@H](C)C(=O)N2CCCC2)CC1	ZINC000261949728	672700249	/nfs/dbraw/zinc/70/02/49/672700249.db2.gz	HASKXBMZCSIFKK-OAHLLOKOSA-N	1	0	355.914	1.333	20	30		FDEDRO
C[NH+]=C(NCCNC(=O)CC1CCCCC1)N1CC[C@@]2(CCOC2)C1	ZINC000261963007	672703000	/nfs/dbraw/zinc/70/30/00/672703000.db2.gz	KSQFWHTYZKBIRH-LJQANCHMSA-N	1	0	350.507	1.761	20	30		FDEDRO
CC(C)N(C)S(=O)(=O)c1ccc(CNC(=[NH2+])N2CCSCC2)cc1	ZINC000262004379	672710236	/nfs/dbraw/zinc/71/02/36/672710236.db2.gz	QVYCIALSLGETGN-UHFFFAOYSA-N	1	0	370.544	1.579	20	30		FDEDRO
C[NH+]=C(NCc1ccc(Br)s1)N1CCO[C@H](COC)C1	ZINC000262007702	672710862	/nfs/dbraw/zinc/71/08/62/672710862.db2.gz	USLBUNQUJCBCKP-JTQLQIEISA-N	1	0	362.293	1.933	20	30		FDEDRO
CC[NH+]=C(NC[C@@H](OC)c1ccccc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000262009089	672711420	/nfs/dbraw/zinc/71/14/20/672711420.db2.gz	WEOXIGODYWDHJN-MRXNPFEDSA-N	1	0	367.515	1.849	20	30		FDEDRO
[NH2+]=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCOCC1	ZINC000262019478	672712539	/nfs/dbraw/zinc/71/25/39/672712539.db2.gz	XFFVZPSCUPYJIX-UHFFFAOYSA-N	1	0	366.487	1.008	20	30		FDEDRO
C[NH+]=C(NC[C@H](C)Oc1ccccc1F)N1CCS(=O)(=O)C(C)(C)C1	ZINC000262023070	672713618	/nfs/dbraw/zinc/71/36/18/672713618.db2.gz	ZECWOSKMNDVNOO-ZDUSSCGKSA-N	1	0	371.478	1.677	20	30		FDEDRO
C[C@H]1COCCN1CCNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1	ZINC000262023827	672714004	/nfs/dbraw/zinc/71/40/04/672714004.db2.gz	YSRQIKQPZFRCJS-HNNXBMFYSA-N	1	0	365.909	1.497	20	30		FDEDRO
CC(C)S(=O)(=O)CCNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1	ZINC000262239423	672752428	/nfs/dbraw/zinc/75/24/28/672752428.db2.gz	BGFKWZBSANIPBJ-UHFFFAOYSA-N	1	0	372.922	1.600	20	30		FDEDRO
C[C@H](NC(=[NH2+])NCCN1CCNC(=O)C1)c1ccc(Cl)cc1Cl	ZINC000262265151	672758017	/nfs/dbraw/zinc/75/80/17/672758017.db2.gz	TUUMDRBGRZKEOB-JTQLQIEISA-N	1	0	358.273	1.391	20	30		FDEDRO
C=C(C)CNC(NCC(=O)N(C)C)=[NH+][C@@H]1CCO[C@@]2(CCSC2)C1	ZINC000262288846	672762459	/nfs/dbraw/zinc/76/24/59/672762459.db2.gz	KVVOBWYDFMNYHE-PBHICJAKSA-N	1	0	354.520	1.241	20	30		FDEDRO
CC(C)C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCc2ncsc2C1	ZINC000262333471	672772003	/nfs/dbraw/zinc/77/20/03/672772003.db2.gz	BKYDDLUSNXRYRL-ZDUSSCGKSA-N	1	0	370.544	1.538	20	30		FDEDRO
CC1CCC2(CC1)OC[C@H](CNC(NCC(=O)N(C)C)=[NH+]C1CC1)O2	ZINC000262347558	672774572	/nfs/dbraw/zinc/77/45/72/672774572.db2.gz	YGLPTGOSSHBQLC-DBQDNQAGSA-N	1	0	352.479	1.094	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCOc2ccc(F)cc21	ZINC000262349915	672774814	/nfs/dbraw/zinc/77/48/14/672774814.db2.gz	FALBGYPBDSMVMM-SWLSCSKDSA-N	1	0	369.462	1.639	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)NC[C@H]1COC2(CCCC2)O1	ZINC000262375855	672779134	/nfs/dbraw/zinc/77/91/34/672779134.db2.gz	JMUXZVKYLJPWHZ-GJZGRUSLSA-N	1	0	373.519	1.050	20	30		FDEDRO
C[NH+]=C(NC[C@@]1(O)CCSC1)N1CCN(c2ccccc2F)CC1	ZINC000262389119	672781525	/nfs/dbraw/zinc/78/15/25/672781525.db2.gz	LTTOHDKUMZTUBX-KRWDZBQOSA-N	1	0	352.479	1.391	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCOC2(CCCC2)C1	ZINC000262399431	672783032	/nfs/dbraw/zinc/78/30/32/672783032.db2.gz	NMBFDUKFECBLTO-LSDHHAIUSA-N	1	0	357.520	1.468	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCc2ccccc2C1	ZINC000262403605	672783763	/nfs/dbraw/zinc/78/37/63/672783763.db2.gz	OCEQWISENVOPAR-MAUKXSAKSA-N	1	0	363.527	1.922	20	30		FDEDRO
C=CCNC(=[NH+]C[C@H]1CCS(=O)(=O)C1)N1CCC2(C1)CCOCC2	ZINC000262403702	672783768	/nfs/dbraw/zinc/78/37/68/672783768.db2.gz	ODSOFZXFDJAMQU-OAHLLOKOSA-N	1	0	355.504	1.055	20	30		FDEDRO
CS(=O)(=O)N1CC(CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)C1	ZINC000262429340	672788052	/nfs/dbraw/zinc/78/80/52/672788052.db2.gz	IZHPDWKBGCRYJX-UHFFFAOYSA-N	1	0	364.393	1.001	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](N2CCCCC2)C1	ZINC000262430315	672788315	/nfs/dbraw/zinc/78/83/15/672788315.db2.gz	SKJJWKPIAQKYSX-DLBZAZTESA-N	1	0	370.563	1.335	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1C[C@@H](OCC)C12CCC2)NC1CCN(C(C)=O)CC1	ZINC000262432142	672788536	/nfs/dbraw/zinc/78/85/36/672788536.db2.gz	ONGPBWOULNHVKG-IAGOWNOFSA-N	1	0	350.507	1.900	20	30		FDEDRO
Cc1nc(C)c(CNC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C(C)C)s1	ZINC000262450560	672791516	/nfs/dbraw/zinc/79/15/16/672791516.db2.gz	VWXXMFJSCXYTLV-ZDUSSCGKSA-N	1	0	358.533	1.638	20	30		FDEDRO
C[C@@H]1C[C@H](C)CN(C(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C[C@@H]2CCOC2)C1	ZINC000262452833	672792223	/nfs/dbraw/zinc/79/22/23/672792223.db2.gz	WGKVPJKWPQIWPE-VVLHAWIVSA-N	1	0	371.547	1.381	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c1	ZINC000262736473	672837858	/nfs/dbraw/zinc/83/78/58/672837858.db2.gz	GABGZMPERCKTDX-CZUORRHYSA-N	1	0	351.472	1.493	20	30		FDEDRO
C[NH+]=C(NCc1ccc(Br)s1)N1CCN(C(C)=O)CC1	ZINC000263112971	672862676	/nfs/dbraw/zinc/86/26/76/672862676.db2.gz	DZKMLDWISUCZPL-UHFFFAOYSA-N	1	0	359.293	1.750	20	30		FDEDRO
[NH2+]=C(NC[C@H]1CSCCN1Cc1ccccc1)N1CCSCC1	ZINC000263286147	672869688	/nfs/dbraw/zinc/86/96/88/672869688.db2.gz	UQYKESIXGIYYRD-INIZCTEOSA-N	1	0	350.557	1.968	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1	ZINC000264079651	672900192	/nfs/dbraw/zinc/90/01/92/672900192.db2.gz	GUYWYNUOFHEZEM-ZDUSSCGKSA-N	1	0	356.492	1.155	20	30		FDEDRO
COCCNC(=[NH2+])NC[C@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1	ZINC000264083962	672900718	/nfs/dbraw/zinc/90/07/18/672900718.db2.gz	IHQNDFVEPQJTHB-SWLSCSKDSA-N	1	0	372.872	1.792	20	30		FDEDRO
CC(C)c1cccc(NC(=[NH2+])NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1	ZINC000264106752	672901424	/nfs/dbraw/zinc/90/14/24/672901424.db2.gz	PSXSVKPWZSWPEF-OAHLLOKOSA-N	1	0	366.487	1.230	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNS(=O)(=O)Cc2ccc(C#N)cc2)CCCO1	ZINC000289296963	676117385	/nfs/dbraw/zinc/11/73/85/676117385.db2.gz	YZGYBXIUBPMTNY-OAHLLOKOSA-N	1	0	351.472	1.479	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cc1	ZINC000289392563	676128387	/nfs/dbraw/zinc/12/83/87/676128387.db2.gz	DQYOAIUNFQZWAX-DZGCQCFKSA-N	1	0	355.360	1.982	20	30		FDEDRO
C[NH+](C)CC1(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCC1	ZINC000281057106	675485652	/nfs/dbraw/zinc/48/56/52/675485652.db2.gz	KYHWWXAYKHDWLX-UHFFFAOYSA-N	1	0	364.471	1.093	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NCC1CC[NH+](Cc2ccccc2)CC1	ZINC000282325083	675622209	/nfs/dbraw/zinc/62/22/09/675622209.db2.gz	ANPYGNYMYUCNEN-MRXNPFEDSA-N	1	0	364.515	1.967	20	30		FDEDRO
CC[NH+](CC)[C@@H](CNS(=O)(=O)N(C)C[C@H](C)C#N)c1ccccc1	ZINC000282963321	675644226	/nfs/dbraw/zinc/64/42/26/675644226.db2.gz	WGEXMBHYNJLSGK-WBVHZDCISA-N	1	0	352.504	1.995	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1	ZINC000284584833	675730980	/nfs/dbraw/zinc/73/09/80/675730980.db2.gz	FVBRQQZDIRQRJQ-UHFFFAOYSA-N	1	0	361.511	1.934	20	30		FDEDRO
COc1ccccc1CNC(=[NH2+])NC[C@H]1CCCC[C@H]1NS(C)(=O)=O	ZINC000285102394	675798484	/nfs/dbraw/zinc/79/84/84/675798484.db2.gz	OSFMWNMFBTZPMU-UKRRQHHQSA-N	1	0	368.503	1.208	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(C#N)c(F)c2)CCCO1	ZINC000292656837	676303722	/nfs/dbraw/zinc/30/37/22/676303722.db2.gz	QLFDRXMHGHBGIN-ZDUSSCGKSA-N	1	0	355.435	1.477	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)Cc2ccc(F)cc2C#N)C1	ZINC000296101803	676414842	/nfs/dbraw/zinc/41/48/42/676414842.db2.gz	DNCIVZJXKLMZQR-CXAGYDPISA-N	1	0	351.447	1.943	20	30		FDEDRO
CC(C)NS(=O)(=O)Cc1ccc(CNC(=[NH2+])NCC2CCC2)cc1	ZINC000303867329	676543274	/nfs/dbraw/zinc/54/32/74/676543274.db2.gz	CUGSFHDMIABIKU-UHFFFAOYSA-N	1	0	352.504	1.719	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCCN(C)CC(F)(F)F)CC1	ZINC000303900764	676543733	/nfs/dbraw/zinc/54/37/33/676543733.db2.gz	SHMQNYOIKMSBMG-UHFFFAOYSA-N	1	0	367.416	1.396	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H]2CCCO[C@@H]2C(C)C)CC1	ZINC000304764075	676544494	/nfs/dbraw/zinc/54/44/94/676544494.db2.gz	XOAIGLQQUZKBGH-GDBMZVCRSA-N	1	0	354.495	1.963	20	30		FDEDRO
CS(=O)(=O)[C@@H]1CCCCN(C(=O)NCC2CC[NH+](C3CC3)CC2)C1	ZINC000328624658	676600214	/nfs/dbraw/zinc/60/02/14/676600214.db2.gz	ZTEJVZAMCNYAKT-MRXNPFEDSA-N	1	0	357.520	1.674	20	30		FDEDRO
CCC[NH+]1CCC(CNC(=O)NC2CCN(S(=O)(=O)CC)CC2)CC1	ZINC000328665687	676601456	/nfs/dbraw/zinc/60/14/56/676601456.db2.gz	CKLIJEQOTUGOCJ-UHFFFAOYSA-N	1	0	374.551	1.426	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCC2CCN(S(C)(=O)=O)CC2)CC1	ZINC000328671856	676601745	/nfs/dbraw/zinc/60/17/45/676601745.db2.gz	HQYUGZZVCACNQE-UHFFFAOYSA-N	1	0	372.535	1.202	20	30		FDEDRO
C[C@H](O)C[C@@H]1CCCN1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000328692707	676602609	/nfs/dbraw/zinc/60/26/09/676602609.db2.gz	FJGJJSAWFBINLI-DZJNRPSUSA-N	1	0	353.507	1.904	20	30		FDEDRO
CCCC(=O)N1CSC[C@H]1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	ZINC000328700293	676602887	/nfs/dbraw/zinc/60/28/87/676602887.db2.gz	IPGKXQFNZNWDPX-AWEZNQCLSA-N	1	0	356.536	1.671	20	30		FDEDRO
CS(=O)(=O)NC[C@@H]1CCCN(C(=O)NC2CC[NH+](CC3CC3)CC2)C1	ZINC000328772445	676606308	/nfs/dbraw/zinc/60/63/08/676606308.db2.gz	BEHWJXSHSSGBOX-HNNXBMFYSA-N	1	0	372.535	1.036	20	30		FDEDRO
CN1CCO[C@@H](CNC(=O)CNC(=O)c2cc3c(s2)CCCC3)C1	ZINC000328774472	676606396	/nfs/dbraw/zinc/60/63/96/676606396.db2.gz	SAZXMJJNURLETH-ZDUSSCGKSA-N	1	0	351.472	1.644	20	30		FDEDRO
CS(=O)(=O)C[C@H]1CCCN(C(=O)NC2CC[NH+](CC3CC3)CC2)C1	ZINC000328834859	676609080	/nfs/dbraw/zinc/60/90/80/676609080.db2.gz	LZVDHEMXBYJAEY-HNNXBMFYSA-N	1	0	357.520	1.531	20	30		FDEDRO
C[C@H](CNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O)C[NH+]1CCCC1	ZINC000328948387	676613355	/nfs/dbraw/zinc/61/33/55/676613355.db2.gz	BUNNOXNEUQIIOG-SFNKJDCFSA-N	1	0	353.507	1.884	20	30		FDEDRO
C[C@@H]1CN(Cc2csc(NC(=O)N3CC[C@H]([NH+](C)C)C3)n2)C[C@H](C)O1	ZINC000328955457	676613783	/nfs/dbraw/zinc/61/37/83/676613783.db2.gz	YYSHBGAQFMOUSS-GUTXKFCHSA-N	1	0	367.519	1.934	20	30		FDEDRO
C[C@H](CNC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)C[NH+]1CCCCC1	ZINC000329021619	676616329	/nfs/dbraw/zinc/61/63/29/676616329.db2.gz	IAQKFVOJCMTFBH-XDNAFOTISA-N	1	0	353.507	1.884	20	30		FDEDRO
CC(C)C[NH+]1CCC(NC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)CC1	ZINC000329019234	676616363	/nfs/dbraw/zinc/61/63/63/676616363.db2.gz	HHZDZQPYHUCQKI-RCCFBDPRSA-N	1	0	353.507	1.883	20	30		FDEDRO
CC[NH+]1CCC(CCNC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)CC1	ZINC000329049253	676617570	/nfs/dbraw/zinc/61/75/70/676617570.db2.gz	KHEWZTNPCCPHII-KSZLIROESA-N	1	0	353.507	1.884	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O	ZINC000329079129	676618900	/nfs/dbraw/zinc/61/89/00/676618900.db2.gz	QTFDBBHSYSETTD-XMTFNYHQSA-N	1	0	353.507	1.883	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C	ZINC000329102331	676620043	/nfs/dbraw/zinc/62/00/43/676620043.db2.gz	CWKVKHBNLDGTEW-OAGGEKHMSA-N	1	0	351.495	1.856	20	30		FDEDRO
C[C@H](CNC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)[NH+]1CCC(C)CC1	ZINC000329140339	676622371	/nfs/dbraw/zinc/62/23/71/676622371.db2.gz	SYXYZQPBYCDDTB-XMTFNYHQSA-N	1	0	353.507	1.883	20	30		FDEDRO
C[C@H](C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1)[N@H+]1[C@H](C)CC[C@@H]1C	ZINC000329156263	676623101	/nfs/dbraw/zinc/62/31/01/676623101.db2.gz	CPRLXBFYNQIAKR-DLTWYDFYSA-N	1	0	350.507	1.899	20	30		FDEDRO
CS(=O)(=O)c1ccc(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cn1	ZINC000329208841	676625308	/nfs/dbraw/zinc/62/53/08/676625308.db2.gz	BVYGRICMICFJIF-AWEZNQCLSA-N	1	0	352.460	1.591	20	30		FDEDRO
O=C(NC[C@H](N1CCOCC1)C(F)(F)F)N[C@@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000329262647	676629338	/nfs/dbraw/zinc/62/93/38/676629338.db2.gz	GEKPRVMBHBJEIT-MCIONIFRSA-N	1	0	364.412	1.380	20	30		FDEDRO
CC[C@H](NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)N1CCOCC1	ZINC000329272428	676629950	/nfs/dbraw/zinc/62/99/50/676629950.db2.gz	IMOKVXVCWRTYKC-QXULXFAOSA-N	1	0	352.479	1.095	20	30		FDEDRO
O=C(NC1CC[NH+](CC2CC2)CC1)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O	ZINC000329344539	676634245	/nfs/dbraw/zinc/63/42/45/676634245.db2.gz	CLUJMPYWNHLDHM-RCCFBDPRSA-N	1	0	351.491	1.637	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)O1	ZINC000329391268	676636698	/nfs/dbraw/zinc/63/66/98/676636698.db2.gz	RRUGVBIRHZNJNP-OAGGEKHMSA-N	1	0	352.479	1.096	20	30		FDEDRO
C[C@H](NC(=O)NC[C@@H]1CCCS(=O)(=O)C1)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000329395013	676636962	/nfs/dbraw/zinc/63/69/62/676636962.db2.gz	VLNCXHRPKYBEOB-JYJNAYRXSA-N	1	0	371.547	1.968	20	30		FDEDRO
O=C(NCCc1cn2c(n1)SCC2)[C@H]1COCCN1CC1CCC1	ZINC000329485492	676640975	/nfs/dbraw/zinc/64/09/75/676640975.db2.gz	GAFZCCPXTMIMIR-OAHLLOKOSA-N	1	0	350.488	1.989	20	30		FDEDRO
C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)C1	ZINC000329517192	676642321	/nfs/dbraw/zinc/64/23/21/676642321.db2.gz	PGKJTVYRJHEIJP-HOTGVXAUSA-N	1	0	351.495	1.464	20	30		FDEDRO
CCC[C@]1(CO)CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1	ZINC000329618505	676646238	/nfs/dbraw/zinc/64/62/38/676646238.db2.gz	GEPLMKRZFBKIPJ-LMMKCTJWSA-N	1	0	353.507	1.763	20	30		FDEDRO
O=C(NC[C@H]1CCCS(=O)(=O)C1)N1CCCC[C@@H]([NH+]2CCCC2)C1	ZINC000329716765	676651258	/nfs/dbraw/zinc/65/12/58/676651258.db2.gz	WVGFSVCFTZYLRQ-HZPDHXFCSA-N	1	0	357.520	1.676	20	30		FDEDRO
C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CC[N@@H+]1C	ZINC000329717823	676651306	/nfs/dbraw/zinc/65/13/06/676651306.db2.gz	XZNJDPFDXKJSOW-KFWWJZLASA-N	1	0	372.535	1.272	20	30		FDEDRO
CC[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)C[C@H]1N1CCOCC1	ZINC000329727084	676651974	/nfs/dbraw/zinc/65/19/74/676651974.db2.gz	CHVPCDDBCQASNB-HZPDHXFCSA-N	1	0	355.504	1.443	20	30		FDEDRO
CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1C[C@H](OC)CN1S(C)(=O)=O	ZINC000329825287	676659436	/nfs/dbraw/zinc/65/94/36/676659436.db2.gz	BVOMARCZLVKSHI-SOUVJXGZSA-N	1	0	361.508	1.256	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](NC(=O)N2CCO[C@H](c3nnc(C(C)C)o3)C2)C1	ZINC000329930876	676664165	/nfs/dbraw/zinc/66/41/65/676664165.db2.gz	ZXYSQCQGKMSXRO-KBPBESRZSA-N	1	0	351.451	1.965	20	30		FDEDRO
O=C(Nc1ccn(CC(F)F)n1)NC1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000330133403	676674576	/nfs/dbraw/zinc/67/45/76/676674576.db2.gz	RASTUIDEQJXECF-LBPRGKRZSA-N	1	0	357.405	1.975	20	30		FDEDRO
CC1(C)CC(NC(=O)N2CC(=O)N(CC(F)(F)F)C2)CC(C)(C)[NH2+]1	ZINC000330171239	676676396	/nfs/dbraw/zinc/67/63/96/676676396.db2.gz	FEWLHTXHAMERMQ-UHFFFAOYSA-N	1	0	350.385	1.874	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)C1	ZINC000330243894	676680544	/nfs/dbraw/zinc/68/05/44/676680544.db2.gz	CVPCEBYTZWFPPQ-LSDHHAIUSA-N	1	0	354.495	1.246	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)N2CCC[C@@H]2[C@H](O)C(F)(F)F)CCSC1	ZINC000330267188	676682005	/nfs/dbraw/zinc/68/20/05/676682005.db2.gz	HZYCRZXOMYPMCC-MDZLAQPJSA-N	1	0	355.426	1.725	20	30		FDEDRO
C[C@H](CNC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1)[N@@H+]1CCC[C@@H](C)C1	ZINC000330473157	676692414	/nfs/dbraw/zinc/69/24/14/676692414.db2.gz	ZMITYQBOEOPXSJ-BZUAXINKSA-N	1	0	374.551	1.282	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1	ZINC000330500499	676693977	/nfs/dbraw/zinc/69/39/77/676693977.db2.gz	PHIXOLGNCHJLPR-GPMSIDNRSA-N	1	0	350.507	1.614	20	30		FDEDRO
CNS(=O)(=O)c1ccc([C@H](C)NC(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)cc1	ZINC000330600124	676697754	/nfs/dbraw/zinc/69/77/54/676697754.db2.gz	UVGYFUNAOMZZAX-NWANDNLSSA-N	1	0	368.503	1.642	20	30		FDEDRO
CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCO[C@H](C(=O)OC)C2)C1	ZINC000330741791	676702858	/nfs/dbraw/zinc/70/28/58/676702858.db2.gz	PRUGAOUDNLZEAQ-CABCVRRESA-N	1	0	355.479	1.675	20	30		FDEDRO
C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c1	ZINC000330907640	676709239	/nfs/dbraw/zinc/70/92/39/676709239.db2.gz	FGRHFHMWKBOTBY-CVEARBPZSA-N	1	0	353.488	1.913	20	30		FDEDRO
Cc1ccc(NC(=O)N2C[C@@H](C)O[C@@H](CO)C2)c(OCC[NH+](C)C)c1	ZINC000330990802	676712855	/nfs/dbraw/zinc/71/28/55/676712855.db2.gz	SHSPQLZRNCMWFS-HUUCEWRRSA-N	1	0	351.447	1.563	20	30		FDEDRO
CC(C)C[NH+]1CCC(NC(=O)c2ccc(S(N)(=O)=O)c(F)c2)CC1	ZINC000331033831	676714513	/nfs/dbraw/zinc/71/45/13/676714513.db2.gz	XJJCGEPRHVNXCA-UHFFFAOYSA-N	1	0	357.451	1.898	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(S(=O)(=O)NC)cn2)C[C@@H]1C	ZINC000331152265	676718898	/nfs/dbraw/zinc/71/88/98/676718898.db2.gz	IFMWGNVIGGQEPX-QWHCGFSZSA-N	1	0	369.491	1.340	20	30		FDEDRO
C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCc2cccc(NS(C)(=O)=O)c2)C1	ZINC000331187035	676720839	/nfs/dbraw/zinc/72/08/39/676720839.db2.gz	ZCRCAECVSTZXNH-GDBMZVCRSA-N	1	0	368.503	1.935	20	30		FDEDRO
CC(C)S(=O)(=O)N1CCC(NC(=O)NCC[NH+]2CCCCC2)CC1	ZINC000331243802	676723591	/nfs/dbraw/zinc/72/35/91/676723591.db2.gz	ZEUKRGWQMUMFPL-UHFFFAOYSA-N	1	0	360.524	1.179	20	30		FDEDRO
CC[C@H]1CN(C(=O)Nc2cn(C)nc2C(F)(F)F)CC[N@@H+]1C[C@@H](C)O	ZINC000331320972	676727292	/nfs/dbraw/zinc/72/72/92/676727292.db2.gz	JQTJXKWOEBIRTG-MNOVXSKESA-N	1	0	363.384	1.761	20	30		FDEDRO
C[C@@H]1C[NH+](CC2CCN(S(=O)(=O)CC3(CC#N)CC3)CC2)C[C@@H](C)O1	ZINC000333402707	676769304	/nfs/dbraw/zinc/76/93/04/676769304.db2.gz	IVOPFJHPCVVLHC-HZPDHXFCSA-N	1	0	369.531	1.831	20	30		FDEDRO
N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@@H]2[NH2+]CCc2ccc(S(N)(=O)=O)cc2)O1	ZINC000360792625	676875657	/nfs/dbraw/zinc/87/56/57/676875657.db2.gz	MCVKPFGAJNVCCN-NRSFXHEJSA-N	1	0	363.483	1.706	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1	ZINC000364633383	677037140	/nfs/dbraw/zinc/03/71/40/677037140.db2.gz	NGIBQUCMMDEXNB-OAHLLOKOSA-N	1	0	357.520	1.684	20	30		FDEDRO
N#Cc1c(F)ccc(C[NH2+][C@H]2CCN(CCN3CCOCC3)C2)c1Cl	ZINC000365495216	677359632	/nfs/dbraw/zinc/35/96/32/677359632.db2.gz	XPEODVSOXVGGML-HNNXBMFYSA-N	1	0	366.868	1.847	20	30		FDEDRO
CS(=O)(=O)N1CC[C@H](C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)C1	ZINC000366887645	677473121	/nfs/dbraw/zinc/47/31/21/677473121.db2.gz	WNBHFJVMDWQNEI-MRXNPFEDSA-N	1	0	363.483	1.683	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N1CCC([NH+]2C[C@H](C)C[C@@H](C)C2)CC1	ZINC000366970227	677476987	/nfs/dbraw/zinc/47/69/87/677476987.db2.gz	QUICLXWZGUCLQE-BZUAXINKSA-N	1	0	356.536	1.907	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N1CCC([N@H+]2C[C@H](C)C[C@H](C)C2)CC1	ZINC000366970229	677477032	/nfs/dbraw/zinc/47/70/32/677477032.db2.gz	QUICLXWZGUCLQE-OWCLPIDISA-N	1	0	356.536	1.907	20	30		FDEDRO
Cc1csc(NC(=O)[C@@H]2CCC[N@@H+](CCC(=O)N(C)CCC#N)C2)n1	ZINC000367502220	677493053	/nfs/dbraw/zinc/49/30/53/677493053.db2.gz	GSSRSMJOTHUUAY-CQSZACIVSA-N	1	0	363.487	1.864	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC3(CC2)SCC(=O)N3C)CC1	ZINC000368286112	677499159	/nfs/dbraw/zinc/49/91/59/677499159.db2.gz	YMYFQKBVJSPAOL-UHFFFAOYSA-N	1	0	366.531	1.734	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NCC1CCN(c2cc[nH+]cc2)CC1	ZINC000369115685	677503243	/nfs/dbraw/zinc/50/32/43/677503243.db2.gz	JKZFOIFBBDAFNC-AWEZNQCLSA-N	1	0	351.476	1.224	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN(C)C1CC[NH+](C2CCC(C)CC2)CC1	ZINC000371496866	677711183	/nfs/dbraw/zinc/71/11/83/677711183.db2.gz	GAPNESCVWDHWGB-UHFFFAOYSA-N	1	0	350.507	1.973	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N(C)C1CCN(c2cc[nH+]cc2)CC1	ZINC000374411450	678078709	/nfs/dbraw/zinc/07/87/09/678078709.db2.gz	ZJSQNHANDBDMEG-CQSZACIVSA-N	1	0	351.476	1.318	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1	ZINC000374416026	678078949	/nfs/dbraw/zinc/07/89/49/678078949.db2.gz	PFLACRNVVDFANK-DOTOQJQBSA-N	1	0	370.519	1.042	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NCC1([NH+]2CCSCC2)CCCCC1	ZINC000374539425	678086377	/nfs/dbraw/zinc/08/63/77/678086377.db2.gz	WOTPXIRSJBVWHJ-OAHLLOKOSA-N	1	0	374.576	1.806	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1	ZINC000374543443	678086421	/nfs/dbraw/zinc/08/64/21/678086421.db2.gz	LOOLPDVAIHNKQZ-JZXOWHBKSA-N	1	0	364.515	1.965	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1	ZINC000374583712	678087482	/nfs/dbraw/zinc/08/74/82/678087482.db2.gz	IROGBNSDUWSKEK-DOTOQJQBSA-N	1	0	350.488	1.671	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1	ZINC000374616312	678088514	/nfs/dbraw/zinc/08/85/14/678088514.db2.gz	YYQSVPZMHORJIA-QZTJIDSGSA-N	1	0	350.551	1.900	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1	ZINC000375708250	678158618	/nfs/dbraw/zinc/15/86/18/678158618.db2.gz	SOXBDTDKVHSHHD-HNNXBMFYSA-N	1	0	372.535	1.214	20	30		FDEDRO
C=CCNC(=O)C[NH+]1CCC([C@@H]2CCCCCN2C(=O)COC)CC1	ZINC000375811680	678178733	/nfs/dbraw/zinc/17/87/33/678178733.db2.gz	OTRIFLDSQYERMR-KRWDZBQOSA-N	1	0	351.491	1.418	20	30		FDEDRO
N#Cc1ccc(S(N)(=O)=O)cc1NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1	ZINC000376219612	678247310	/nfs/dbraw/zinc/24/73/10/678247310.db2.gz	GCUJOSWXJMPUNZ-WMLDXEAASA-N	1	0	364.471	1.118	20	30		FDEDRO
C[NH+]1CCC2(CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1	ZINC000408066889	678828374	/nfs/dbraw/zinc/82/83/74/678828374.db2.gz	FWUMGMCBHSFELE-UHFFFAOYSA-N	1	0	364.427	1.715	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C	ZINC000409482994	678848808	/nfs/dbraw/zinc/84/88/08/678848808.db2.gz	HPJURARKKZBAAC-INMHGKMJSA-N	1	0	352.504	1.994	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1cccc(OCC[NH+](C)C)c1	ZINC000409546078	678857534	/nfs/dbraw/zinc/85/75/34/678857534.db2.gz	BXTHKILXRXREPZ-HNNXBMFYSA-N	1	0	368.503	1.443	20	30		FDEDRO
CC[NH+](CC)[C@H](CNS(=O)(=O)N(C)C[C@@H](C)C#N)Cc1ccccc1	ZINC000409561062	678860119	/nfs/dbraw/zinc/86/01/19/678860119.db2.gz	IVNCMPWBSDEXBK-WMZOPIPTSA-N	1	0	366.531	1.865	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C)o1	ZINC000409584772	678862916	/nfs/dbraw/zinc/86/29/16/678862916.db2.gz	YFPPRHCTWCPEAK-CQSZACIVSA-N	1	0	356.492	1.678	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC(OCC[NH+](CC)CC)CC1	ZINC000410150106	678886265	/nfs/dbraw/zinc/88/62/65/678886265.db2.gz	LGRYPVXLGAAZCQ-MRXNPFEDSA-N	1	0	374.551	1.536	20	30		FDEDRO
N#C[C@H]1CN(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)CCO1	ZINC000410159711	678888143	/nfs/dbraw/zinc/88/81/43/678888143.db2.gz	ALEFJJQWGNXIPU-IRXDYDNUSA-N	1	0	370.519	1.090	20	30		FDEDRO
CCN(CC)C(=O)CN1CC[NH+](CCCC2(C#N)CCOCC2)CC1	ZINC000410310008	678889461	/nfs/dbraw/zinc/88/94/61/678889461.db2.gz	FVZOTKPJJFUMJL-UHFFFAOYSA-N	1	0	350.507	1.573	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000410430710	678896049	/nfs/dbraw/zinc/89/60/49/678896049.db2.gz	FZYJCDORCRKYBC-CALCHBBNSA-N	1	0	350.507	1.038	20	30		FDEDRO
C[N@@H+]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1	ZINC000411151992	678989934	/nfs/dbraw/zinc/98/99/34/678989934.db2.gz	FJQDKVPQJKIPSF-INIZCTEOSA-N	1	0	361.515	1.094	20	30		FDEDRO
C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC(C)(C)C#N)cc1F	ZINC000411348093	679020385	/nfs/dbraw/zinc/02/03/85/679020385.db2.gz	BHGDEOAMOMPYQF-UHFFFAOYSA-N	1	0	350.394	1.371	20	30		FDEDRO
CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccccc1C#N	ZINC000411632527	679055415	/nfs/dbraw/zinc/05/54/15/679055415.db2.gz	GFMUPAZGKWTYML-HZPDHXFCSA-N	1	0	364.471	1.337	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCSC[C@H](C(=O)OC)C1	ZINC000412101392	679156483	/nfs/dbraw/zinc/15/64/83/679156483.db2.gz	WVTRGCMFOIWKRP-IAGOWNOFSA-N	1	0	365.495	1.993	20	30		FDEDRO
COC(=O)[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccc(OC(F)F)cc1	ZINC000424169545	680831383	/nfs/dbraw/zinc/83/13/83/680831383.db2.gz	JUMHNZWYEYKZOK-QWHCGFSZSA-N	1	0	355.341	1.639	20	30		FDEDRO
C[C@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000415510383	679441573	/nfs/dbraw/zinc/44/15/73/679441573.db2.gz	KILUWFHAYGGJEC-SECBINFHSA-N	1	0	358.320	1.149	20	30		FDEDRO
C=CCC1(C(=O)NCCC[NH+]2CCC(C(=O)OC)CC2)CCOCC1	ZINC000424595289	680851449	/nfs/dbraw/zinc/85/14/49/680851449.db2.gz	RFNUFKZNMXVLHY-UHFFFAOYSA-N	1	0	352.475	1.751	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)ccc1Br	ZINC000415646094	679470990	/nfs/dbraw/zinc/47/09/90/679470990.db2.gz	MINWTDLYWIQKPC-GHMZBOCLSA-N	1	0	365.231	1.645	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1	ZINC000415809319	679510442	/nfs/dbraw/zinc/51/04/42/679510442.db2.gz	TYNYIHHOFOOJJE-CQSZACIVSA-N	1	0	355.364	1.824	20	30		FDEDRO
[NH3+]CC[C@@H](NC(=O)N1CCN(CC(F)(F)C(F)F)CC1)C(F)(F)F	ZINC000415992097	679540619	/nfs/dbraw/zinc/54/06/19/679540619.db2.gz	AQPZQWFMXUVFEA-MRVPVSSYSA-N	1	0	368.297	1.494	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@@H](C)CCCC[NH3+])CC2)c1C#N	ZINC000418690135	680108245	/nfs/dbraw/zinc/10/82/45/680108245.db2.gz	GUGISVUKOCWXPR-LBPRGKRZSA-N	1	0	350.492	1.672	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)C(=O)NCCSCc2ccccc2C#N)CC[NH2+]1	ZINC000418922636	680154035	/nfs/dbraw/zinc/15/40/35/680154035.db2.gz	MUPVTRCRKWIJPP-XJKSGUPXSA-N	1	0	360.483	1.164	20	30		FDEDRO
C=C(C)[C@@H](NC(=O)C(=O)N(C)C1CC[NH2+]CC1)c1ccc(F)c(F)c1	ZINC000419674999	680316378	/nfs/dbraw/zinc/31/63/78/680316378.db2.gz	JUAQHQQUZUUFSY-MRXNPFEDSA-N	1	0	351.397	1.909	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1Br	ZINC000420460279	680463127	/nfs/dbraw/zinc/46/31/27/680463127.db2.gz	SAZOLMWOROCXHY-ONGXEEELSA-N	1	0	358.261	1.726	20	30		FDEDRO
C[NH+](C)CCc1ccc(NC(=O)C(=O)NCc2ccc(C#N)s2)cc1	ZINC000421245220	680631527	/nfs/dbraw/zinc/63/15/27/680631527.db2.gz	KSLZCLMXRJLAER-UHFFFAOYSA-N	1	0	356.451	1.979	20	30		FDEDRO
Cc1c(NC(=O)C(=O)N(C)CC[NH+](C)C)ccc(Br)c1C#N	ZINC000425740177	680922459	/nfs/dbraw/zinc/92/24/59/680922459.db2.gz	HVRAARYLYIBMLB-UHFFFAOYSA-N	1	0	367.247	1.588	20	30		FDEDRO
Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)Cn1cnc(C#N)n1	ZINC000426422097	680957396	/nfs/dbraw/zinc/95/73/96/680957396.db2.gz	UMMSUGLWVZHPBV-UHFFFAOYSA-N	1	0	356.455	1.646	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)C1CC[NH+](CCC)CC1	ZINC000430374604	681073749	/nfs/dbraw/zinc/07/37/49/681073749.db2.gz	APIVCTHXEDAKLJ-NVXWUHKLSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C	ZINC000430382814	681074241	/nfs/dbraw/zinc/07/42/41/681074241.db2.gz	FAYGIILRVNHHTP-DLBZAZTESA-N	1	0	353.507	1.661	20	30		FDEDRO
CC(C)(CCC#N)CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1	ZINC000431365922	681117316	/nfs/dbraw/zinc/11/73/16/681117316.db2.gz	VFFJAQBUCLFNGP-UHFFFAOYSA-N	1	0	351.495	1.608	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1	ZINC000440812150	682026876	/nfs/dbraw/zinc/02/68/76/682026876.db2.gz	SSICGUQSQLPMHP-WFASDCNBSA-N	1	0	358.414	1.090	20	30		FDEDRO
COC(=O)[C@H](O)C1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1	ZINC000441242992	682063770	/nfs/dbraw/zinc/06/37/70/682063770.db2.gz	GQWYWPRNRDAVGN-CQSZACIVSA-N	1	0	351.428	1.194	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)c1	ZINC000449726103	682706556	/nfs/dbraw/zinc/70/65/56/682706556.db2.gz	WNGKTGZEZHHJRE-GFCCVEGCSA-N	1	0	365.377	1.160	20	30		FDEDRO
C[NH+](C)C[C@](C)(O)CNC(=O)COc1ccc(C#N)c(Br)c1	ZINC000450206601	682744447	/nfs/dbraw/zinc/74/44/47/682744447.db2.gz	XHUYSSRAIIBENT-OAHLLOKOSA-N	1	0	370.247	1.128	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)COc1ccc(C(=O)OC)cc1OC	ZINC000451598356	682904566	/nfs/dbraw/zinc/90/45/66/682904566.db2.gz	KLUQFKYVTRHVSI-ZNMIVQPWSA-N	1	0	351.399	1.155	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CCC(C(=O)NCCC(C)C)CC1	ZINC000451609243	682905566	/nfs/dbraw/zinc/90/55/66/682905566.db2.gz	VCUZAEFKRRSRND-SJORKVTESA-N	1	0	351.491	1.320	20	30		FDEDRO
C[C@H](CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C[NH+](C)C	ZINC000452011318	682999746	/nfs/dbraw/zinc/99/97/46/682999746.db2.gz	WTZYHSCPIACKDL-OCCSQVGLSA-N	1	0	362.861	1.878	20	30		FDEDRO
C[C@@H]1C[C@@H](O)C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000452071241	683016205	/nfs/dbraw/zinc/01/62/05/683016205.db2.gz	TWNYAXIOIRIWRO-CZUORRHYSA-N	1	0	354.372	1.876	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1	ZINC000452099042	683026422	/nfs/dbraw/zinc/02/64/22/683026422.db2.gz	BWBATICSNBHBGP-LBPRGKRZSA-N	1	0	352.416	1.570	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCNC(=O)c1ccc(Br)cc1C#N	ZINC000452161592	683038305	/nfs/dbraw/zinc/03/83/05/683038305.db2.gz	ORTWAQHJWUYRQG-UHFFFAOYSA-N	1	0	367.291	1.934	20	30		FDEDRO
N#CC1(CS(=O)(=O)NCCCC[N@H+]2CCC[C@H]2CO)CCCCC1	ZINC000475802685	685645137	/nfs/dbraw/zinc/64/51/37/685645137.db2.gz	COQZSNHZKHMQRE-INIZCTEOSA-N	1	0	357.520	1.617	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)NCC1(SC)CC[NH+](C)CC1	ZINC000460965704	684556653	/nfs/dbraw/zinc/55/66/53/684556653.db2.gz	FBGOIMHXJUGCCM-UHFFFAOYSA-N	1	0	363.483	1.889	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]C1CCN(S(=O)(=O)C(C)C)CC1	ZINC000461610026	684586853	/nfs/dbraw/zinc/58/68/53/684586853.db2.gz	PPQHWYAMHSUNHW-OAHLLOKOSA-N	1	0	359.536	1.592	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N(CCO)CCOCC(F)(F)F)CC1	ZINC000465863974	684796351	/nfs/dbraw/zinc/79/63/51/684796351.db2.gz	SZQIKYBWDGNFCU-UHFFFAOYSA-N	1	0	367.412	1.610	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)CC1(C#N)CCCCC1	ZINC000476417446	685722484	/nfs/dbraw/zinc/72/24/84/685722484.db2.gz	JJQZXPBQEKNYGL-IKGGRYGDSA-N	1	0	369.531	1.974	20	30		FDEDRO
C[C@@H]1C[NH+](CC2CCN(S(=O)(=O)CC3(C#N)CCC3)CC2)C[C@@H](C)O1	ZINC000477540825	685863561	/nfs/dbraw/zinc/86/35/61/685863561.db2.gz	VYWSPZMEWRAMBE-HZPDHXFCSA-N	1	0	369.531	1.831	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(S(N)(=O)=O)nc1)C(C)C	ZINC000481682276	686355917	/nfs/dbraw/zinc/35/59/17/686355917.db2.gz	HTYQUZWRTJFGBC-OAHLLOKOSA-N	1	0	366.487	1.157	20	30		FDEDRO
C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2ccc(C#N)c(Br)c2)C1	ZINC000487936905	687014399	/nfs/dbraw/zinc/01/43/99/687014399.db2.gz	UCXQAUITGQWOJF-CQSZACIVSA-N	1	0	353.220	1.509	20	30		FDEDRO
COC(=O)CC1([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CCOCC1	ZINC000489980453	687124696	/nfs/dbraw/zinc/12/46/96/687124696.db2.gz	IKWNEVMEWNSMNI-UHFFFAOYSA-N	1	0	366.439	1.034	20	30		FDEDRO
C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H]1C[N@@H+](C)CCN1C	ZINC000496223986	687645145	/nfs/dbraw/zinc/64/51/45/687645145.db2.gz	REVGAVVMGMBUBX-HNNXBMFYSA-N	1	0	350.463	1.105	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](C)CC[C@@H]2C)cc1	ZINC000498740506	687847904	/nfs/dbraw/zinc/84/79/04/687847904.db2.gz	SZLWPENSAXXLLB-AWEZNQCLSA-N	1	0	351.472	1.317	20	30		FDEDRO
C=CCC[N@@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1N(CC)CC	ZINC000502871588	688311687	/nfs/dbraw/zinc/31/16/87/688311687.db2.gz	XWWLQDFYTHGHQH-UHFFFAOYSA-N	1	0	368.503	1.627	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1	ZINC000505955036	688541920	/nfs/dbraw/zinc/54/19/20/688541920.db2.gz	ZJNVOCDSDXNKTF-GOSISDBHSA-N	1	0	353.463	1.475	20	30		FDEDRO
CS[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C[C@H]1[NH+](C)C	ZINC000507092005	688612793	/nfs/dbraw/zinc/61/27/93/688612793.db2.gz	XWVRVVDURLRWAZ-PBFPGSCMSA-N	1	0	355.504	1.752	20	30		FDEDRO
CN(C[C@H]1CCC[N@H+](CCCC2(C#N)CCOCC2)C1)S(C)(=O)=O	ZINC000511141852	689475637	/nfs/dbraw/zinc/47/56/37/689475637.db2.gz	WXDHUAIDMJHUQN-MRXNPFEDSA-N	1	0	357.520	1.690	20	30		FDEDRO
N#Cc1cccc(CNC(=O)CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1	ZINC000511664256	689550014	/nfs/dbraw/zinc/55/00/14/689550014.db2.gz	OCTIACMKATXLSE-CABCVRRESA-N	1	0	355.360	1.667	20	30		FDEDRO
C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C)C(=O)NC(N)=O	ZINC000514874388	689781576	/nfs/dbraw/zinc/78/15/76/689781576.db2.gz	XSDFRRXSYSXNQM-GFCCVEGCSA-N	1	0	366.491	1.168	20	30		FDEDRO
C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000517038214	690027368	/nfs/dbraw/zinc/02/73/68/690027368.db2.gz	OJZKBRMBGQZZBI-GXSJLCMTSA-N	1	0	358.261	1.821	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](CF)c2ccc(F)cc2)CC1	ZINC000636677331	695195484	/nfs/dbraw/zinc/19/54/84/695195484.db2.gz	RXPOIRBPQXYLST-INIZCTEOSA-N	1	0	351.397	1.719	20	30		FDEDRO
C=CCN(C(=O)Nc1cc(C[NH+](C)C)ccn1)[C@H]1CCS(=O)(=O)C1	ZINC000640567642	695599634	/nfs/dbraw/zinc/59/96/34/695599634.db2.gz	LEGZIORGEYDHGY-AWEZNQCLSA-N	1	0	352.460	1.350	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@H](C)n1cc(CC[C@@H](O)C[NH3+])nn1	ZINC000640930279	695645757	/nfs/dbraw/zinc/64/57/57/695645757.db2.gz	RSXREDNYDYHLGG-DZGCQCFKSA-N	1	0	363.487	1.368	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1NCCC[NH+]1CCC(O)CC1	ZINC000641302993	696039091	/nfs/dbraw/zinc/03/90/91/696039091.db2.gz	SHHFXBAYNOSYEJ-UHFFFAOYSA-N	1	0	353.488	1.410	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1N1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000641400252	696088622	/nfs/dbraw/zinc/08/86/22/696088622.db2.gz	YMHPAIKFBDIOCW-MRXNPFEDSA-N	1	0	365.499	1.309	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000641831983	696227416	/nfs/dbraw/zinc/22/74/16/696227416.db2.gz	KLOYDQZDVATXNY-KRWDZBQOSA-N	1	0	352.523	1.685	20	30		FDEDRO
COc1cc(C(F)(F)N2CCO[C@H]3C[NH2+]CC[C@@H]3C2)c(C#N)c(Cl)n1	ZINC001164405437	718863098	/nfs/dbraw/zinc/86/30/98/718863098.db2.gz	RWXGLPXFUWASRL-MFKMUULPSA-N	1	0	372.803	1.975	20	30		FDEDRO
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(Cl)nc(C#N)c1	ZINC001164619677	719015017	/nfs/dbraw/zinc/01/50/17/719015017.db2.gz	WSLCUODFFZLTBA-TVYUQYBPSA-N	1	0	370.787	1.881	20	30		FDEDRO
Cc1ncc(C#N)c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1	ZINC001164825110	720310084	/nfs/dbraw/zinc/31/00/84/720310084.db2.gz	SKAMUAXZPLNLGE-ROUUACIJSA-N	1	0	368.485	1.568	20	30		FDEDRO
COc1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)ncc1C#N	ZINC001164745024	720610760	/nfs/dbraw/zinc/61/07/60/720610760.db2.gz	UAUILBIBXMKPNZ-LSDHHAIUSA-N	1	0	352.398	1.094	20	30		FDEDRO
N#Cc1c(Cl)ncnc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164743780	720648334	/nfs/dbraw/zinc/64/83/34/720648334.db2.gz	QQANACCCEOASMA-NWDGAFQWSA-N	1	0	357.805	1.134	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3nnc(Cl)cc3C#N)CC[C@H]2C1	ZINC001164856563	720843427	/nfs/dbraw/zinc/84/34/27/720843427.db2.gz	WVOVCDBOKBJCHI-JSGCOSHPSA-N	1	0	351.838	1.175	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3nc4c(cc3C#N)CCC4)CC[C@@H]2C1	ZINC001164863039	720875454	/nfs/dbraw/zinc/87/54/54/720875454.db2.gz	SKJHRJHEXRAQPF-APWZRJJASA-N	1	0	356.470	1.615	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3nc4c(cc3C#N)CCC4)CC[C@H]2C1	ZINC001164863049	720875513	/nfs/dbraw/zinc/87/55/13/720875513.db2.gz	SKJHRJHEXRAQPF-QFBILLFUSA-N	1	0	356.470	1.615	20	30		FDEDRO
N#Cc1ncc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1C#N	ZINC001164880996	721156417	/nfs/dbraw/zinc/15/64/17/721156417.db2.gz	YSLCHWKJLBQCOS-HOTGVXAUSA-N	1	0	361.409	1.095	20	30		FDEDRO
CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nccnc4C#N)C3)O2)CC1	ZINC001164890928	721383432	/nfs/dbraw/zinc/38/34/32/721383432.db2.gz	PJZWNMUUEILBEH-APWZRJJASA-N	1	0	356.474	1.114	20	30		FDEDRO
CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nccc(F)c4C#N)C3)O2)CC1	ZINC001164891923	721419719	/nfs/dbraw/zinc/41/97/19/721419719.db2.gz	WQOIPRDLYRHYCL-UZLBHIALSA-N	1	0	373.476	1.858	20	30		FDEDRO
C=CCOc1cc(C)nc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)n1	ZINC001165010188	721738576	/nfs/dbraw/zinc/73/85/76/721738576.db2.gz	FSAWZSWPAQOBQF-UHFFFAOYSA-N	1	0	373.501	1.873	20	30		FDEDRO
Cc1nc(C#N)cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1	ZINC001164977156	722155600	/nfs/dbraw/zinc/15/56/00/722155600.db2.gz	XTJGWQPYXHJCAV-HKUYNNGSSA-N	1	0	364.453	1.779	20	30		FDEDRO
Cc1cc(C#N)cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1	ZINC001165003969	722257313	/nfs/dbraw/zinc/25/73/13/722257313.db2.gz	KFPAAUNEJHBRHW-UHFFFAOYSA-N	1	0	354.458	1.947	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N2C[C@H]3CCN(C(=O)c4ccc(C#N)[nH]4)C[C@H]32)CC1	ZINC000972142901	782489042	/nfs/dbraw/zinc/48/90/42/782489042.db2.gz	VYRDRVKLTJYPTL-CRAIPNDOSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(N3CCOCC3)n2)CC1	ZINC000274755114	769870721	/nfs/dbraw/zinc/87/07/21/769870721.db2.gz	HTVHJVVFZKRZCR-UHFFFAOYSA-N	1	0	373.501	1.758	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cn(-c3ccccc3)nn2)C1	ZINC001022736884	782798332	/nfs/dbraw/zinc/79/83/32/782798332.db2.gz	IBFCZTDXMFGHNH-OHQAAIJDSA-N	1	0	367.453	1.595	20	30		FDEDRO
C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)COC)C[C@H]1C	ZINC001104226877	770407688	/nfs/dbraw/zinc/40/76/88/770407688.db2.gz	DGPDBAWDUYBIQF-KZNAEPCWSA-N	1	0	367.534	1.958	20	30		FDEDRO
Cc1ccc([C@H](CN2CCOCC2)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)cc1	ZINC000511127033	782843193	/nfs/dbraw/zinc/84/31/93/782843193.db2.gz	SULJLECCFPRUAP-FPOVZHCZSA-N	1	0	370.497	1.766	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCn2nc(C)nc2C)C1	ZINC000969692127	770657561	/nfs/dbraw/zinc/65/75/61/770657561.db2.gz	JWMYWWIBHDAGCA-XWIAVFTESA-N	1	0	361.490	1.313	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@](C)(C(=O)NC)C2)c(OC)c1	ZINC000430259808	770826665	/nfs/dbraw/zinc/82/66/65/770826665.db2.gz	FPSJCLAGJZJZSQ-UZLBHIALSA-N	1	0	362.470	1.621	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](O)C1	ZINC000969962970	771132827	/nfs/dbraw/zinc/13/28/27/771132827.db2.gz	ZXSJIVBVGLEXPT-MHEUCROKSA-N	1	0	371.909	1.183	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCO[C@H]3C(=C)C)C2)C1=O	ZINC001020713903	771286374	/nfs/dbraw/zinc/28/63/74/771286374.db2.gz	IAVWFSXTIRXISL-ATIWLJMLSA-N	1	0	361.486	1.381	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21	ZINC001022750091	782915430	/nfs/dbraw/zinc/91/54/30/782915430.db2.gz	MQZZUJAPIJOJAO-MLHJIOFPSA-N	1	0	373.497	1.265	20	30		FDEDRO
CCn1c(C)cc(C=NNC(=S)NCCCN2CCOCC2)c1C	ZINC000728225174	771366456	/nfs/dbraw/zinc/36/64/56/771366456.db2.gz	KYDFHFXEUYIEMV-UHFFFAOYSA-N	1	0	351.520	1.645	20	30		FDEDRO
CC(C)(C)OCc1cc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)no1	ZINC000275190840	771382144	/nfs/dbraw/zinc/38/21/44/771382144.db2.gz	XVXCFHPXCFFDQV-UHFFFAOYSA-N	1	0	373.461	1.417	20	30		FDEDRO
CC(C)[C@H](CNS(=O)(=O)c1cc(F)cc(C#N)c1)N1CC[NH+](C)CC1	ZINC000866873850	782937648	/nfs/dbraw/zinc/93/76/48/782937648.db2.gz	XWAHZGIFAZWWSD-KRWDZBQOSA-N	1	0	368.478	1.248	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(C)nc(C)c2)C[C@H]1C	ZINC001104241088	771635414	/nfs/dbraw/zinc/63/54/14/771635414.db2.gz	JXYLBOKXJGBMQV-RHSMWYFYSA-N	1	0	358.486	1.688	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1	ZINC001104241233	771642462	/nfs/dbraw/zinc/64/24/62/771642462.db2.gz	RHXQGWLPSWCPNP-CRAIPNDOSA-N	1	0	352.442	1.424	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)N[C@@H](C)CC)CC1	ZINC001167274625	771851832	/nfs/dbraw/zinc/85/18/32/771851832.db2.gz	XMPHYTXCQPOBOW-XHSDSOJGSA-N	1	0	351.491	1.368	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1	ZINC000430415231	771858649	/nfs/dbraw/zinc/85/86/49/771858649.db2.gz	FILIZRMGFKSDLF-SJORKVTESA-N	1	0	365.518	1.664	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cn(C)nn2)C1)OCC	ZINC001104255298	772415283	/nfs/dbraw/zinc/41/52/83/772415283.db2.gz	BGOLLTFTMWBGBD-JFIYKMOQSA-N	1	0	363.506	1.761	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nncn2C)C1)OCC	ZINC001104255309	772420493	/nfs/dbraw/zinc/42/04/93/772420493.db2.gz	CQEICCUFXVWBGK-ZACQAIPSSA-N	1	0	363.506	1.761	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1CC[NH2+]CC#Cc1ccccc1	ZINC001104261133	772517283	/nfs/dbraw/zinc/51/72/83/772517283.db2.gz	KVTRXTGZZYLNDA-RLLQIKCJSA-N	1	0	367.493	1.591	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4ccnn4)cc3)[C@H]2C1	ZINC001083245898	783022433	/nfs/dbraw/zinc/02/24/33/783022433.db2.gz	NZOAMXIAIFTQGU-ZWKOTPCHSA-N	1	0	353.426	1.369	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)n2nnnc2C(C)(C)C)C[C@H]1C	ZINC001104276683	772729443	/nfs/dbraw/zinc/72/94/43/772729443.db2.gz	FTXPYQZXIBFJHT-OWCLPIDISA-N	1	0	360.506	1.629	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CCC(=O)NC2)C[C@H]1C	ZINC001104283972	772829818	/nfs/dbraw/zinc/82/98/18/772829818.db2.gz	JSCLAPCSVJSCOK-BRWVUGGUSA-N	1	0	351.491	1.180	20	30		FDEDRO
Cc1ccc(NC(=O)C(=O)N(C)C[C@@H](C)C#N)cc1NC(=O)CC[NH+](C)C	ZINC000275650455	772936057	/nfs/dbraw/zinc/93/60/57/772936057.db2.gz	GHWRAGWUPIEVQG-ZDUSSCGKSA-N	1	0	373.457	1.442	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCc3nc(C)nn3C1)C2	ZINC001112486354	772967195	/nfs/dbraw/zinc/96/71/95/772967195.db2.gz	NPUXRZWJVVQOJN-ZWOKBUDYSA-N	1	0	355.486	1.391	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3nc(C)nn3C1)C2	ZINC001112486408	772973617	/nfs/dbraw/zinc/97/36/17/772973617.db2.gz	QWEKDFFCUJUUOM-UWVAXJGDSA-N	1	0	355.486	1.391	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)c4cc[nH]c4C)[C@@H]3C2)CC1	ZINC001021341598	772979874	/nfs/dbraw/zinc/97/98/74/772979874.db2.gz	PUIGLFDOAQGZDN-PKOBYXMFSA-N	1	0	368.481	1.341	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1	ZINC001104286415	773033854	/nfs/dbraw/zinc/03/38/54/773033854.db2.gz	BTPDLOANROPNLU-ATZDWAIDSA-N	1	0	368.481	1.659	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnnn1CC	ZINC001021385380	773122100	/nfs/dbraw/zinc/12/21/00/773122100.db2.gz	VVGQZJYPZCCCKZ-GPFKCLTHSA-N	1	0	359.474	1.501	20	30		FDEDRO
C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#C[C@H]1CCCCO1	ZINC000891108349	773282918	/nfs/dbraw/zinc/28/29/18/773282918.db2.gz	ZQSQXKYGNKVMOQ-CABCVRRESA-N	1	0	353.463	1.130	20	30		FDEDRO
CCc1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC#CCOC)C2)c(C)nn1	ZINC001112489233	773361085	/nfs/dbraw/zinc/36/10/85/773361085.db2.gz	RTDMWVPFZGHEFG-UWJYYQICSA-N	1	0	370.497	1.829	20	30		FDEDRO
C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000275770002	773715754	/nfs/dbraw/zinc/71/57/54/773715754.db2.gz	DHCYQOFUWMLQJF-CQSZACIVSA-N	1	0	354.454	1.636	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[C@H](OC)CN1C(C)=O)C2	ZINC001112494137	773932308	/nfs/dbraw/zinc/93/23/08/773932308.db2.gz	MJTATRWVMDXQOT-GNBUJSLZSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cccc(CC)n2)C[C@H]1C	ZINC001104297239	774037356	/nfs/dbraw/zinc/03/73/56/774037356.db2.gz	HGUORDBSLUEQHF-IXDOHACOSA-N	1	0	370.497	1.470	20	30		FDEDRO
CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1	ZINC001021589477	774113311	/nfs/dbraw/zinc/11/33/11/774113311.db2.gz	VQPSJYCEHANLSI-MAUKXSAKSA-N	1	0	352.438	1.234	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1)[NH+]1CCCCCC1	ZINC001021590325	774115474	/nfs/dbraw/zinc/11/54/74/774115474.db2.gz	DRQCKOBOFJOIJA-NZSAHSFTSA-N	1	0	357.498	1.724	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3nn(C)c(C)c3Cl)[C@H]2C1	ZINC001083209546	774310640	/nfs/dbraw/zinc/31/06/40/774310640.db2.gz	LEVIIENKIRZPRV-UONOGXRCSA-N	1	0	352.866	1.873	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)Cc2cnn3ccccc23)C[C@H]1C	ZINC001104303212	774380110	/nfs/dbraw/zinc/38/01/10/774380110.db2.gz	VNJXLOPKDRCXHD-QZTJIDSGSA-N	1	0	368.481	1.601	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cc(C)ncn2)C1	ZINC001104305961	774436857	/nfs/dbraw/zinc/43/68/57/774436857.db2.gz	CGCVBJKSFOGYPD-POAQFYNOSA-N	1	0	369.513	1.457	20	30		FDEDRO
FC1(F)[C@H]2C[NH+](CCn3cnnn3)C[C@@H]2C(F)(F)C(F)(F)C1(F)F	ZINC000932939741	774588695	/nfs/dbraw/zinc/58/86/95/774588695.db2.gz	IYZLKBKFZKMHIZ-BQBZGAKWSA-N	1	0	365.228	1.776	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3nnc4ccccc4c3O)[C@H]2C1	ZINC001083211591	774716325	/nfs/dbraw/zinc/71/63/25/774716325.db2.gz	GTALHJFPBRDELQ-JKSUJKDBSA-N	1	0	354.410	1.437	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1(C[NH2+][C@@H]2CCN(CC)C2=O)CC1	ZINC001167435213	774842376	/nfs/dbraw/zinc/84/23/76/774842376.db2.gz	NVUGGMXZLUSICD-BBWFWOEESA-N	1	0	363.502	1.465	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001087141409	775153355	/nfs/dbraw/zinc/15/33/55/775153355.db2.gz	LJHFUPVVHLPWEY-UXPWSPDFSA-N	1	0	370.497	1.606	20	30		FDEDRO
CC#CCN1C[C@H]2OCCN(C(=O)Cc3ccc(OC(C)C)cc3)[C@H]2C1	ZINC001083281811	790391528	/nfs/dbraw/zinc/39/15/28/790391528.db2.gz	CTJYRRKUGPQCKR-VQTJNVASSA-N	1	0	356.466	1.951	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc3cc[nH]c3c2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104725277	790399206	/nfs/dbraw/zinc/39/92/06/790399206.db2.gz	SZDKTFMHDPVKLT-RHSMWYFYSA-N	1	0	367.453	1.495	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CCOC)C[C@H]1c1ccccc1	ZINC001211513270	776169456	/nfs/dbraw/zinc/16/94/56/776169456.db2.gz	MNYNTIJHJZFTQY-RYQLBKOJSA-N	1	0	359.470	1.298	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]21	ZINC001021939147	776749713	/nfs/dbraw/zinc/74/97/13/776749713.db2.gz	CDEQMTGMGJMPIY-QXAKKESOSA-N	1	0	370.497	1.687	20	30		FDEDRO
C[N@H+](CC(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21)C1CCC1	ZINC001021939316	776749900	/nfs/dbraw/zinc/74/99/00/776749900.db2.gz	HCFBFJLBBISTRA-SUMWQHHRSA-N	1	0	355.442	1.044	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21	ZINC001021939987	776751906	/nfs/dbraw/zinc/75/19/06/776751906.db2.gz	VCKWENDLWWANMW-FUHWJXTLSA-N	1	0	368.481	1.443	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)C2CN(C(C)=O)C2)C1	ZINC001075420112	776785831	/nfs/dbraw/zinc/78/58/31/776785831.db2.gz	OGDMWCZFNHZZIN-YLJYHZDGSA-N	1	0	371.456	1.459	20	30		FDEDRO
C[C@H](CNC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CC[NH+](C)CC1	ZINC000328785133	776803114	/nfs/dbraw/zinc/80/31/14/776803114.db2.gz	OGPKCOCDAJKGLW-BZUAXINKSA-N	1	0	364.490	1.144	20	30		FDEDRO
CON=Cc1ccc(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)cc1	ZINC000255314381	776972486	/nfs/dbraw/zinc/97/24/86/776972486.db2.gz	BBQSVZHHRZDIKB-UHFFFAOYSA-N	1	0	358.486	1.955	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CS(=O)(=O)CC(C)C)C[C@H]1C	ZINC001104356921	776999989	/nfs/dbraw/zinc/99/99/89/776999989.db2.gz	NETDNZMDAMALKR-UKRRQHHQSA-N	1	0	364.939	1.884	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2cnnn2C)C1	ZINC001075421294	777075546	/nfs/dbraw/zinc/07/55/46/777075546.db2.gz	YDWVRXTYDKEMQV-NVXWUHKLSA-N	1	0	355.417	1.423	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCC)C2)C[C@H]1C	ZINC001104737570	790506646	/nfs/dbraw/zinc/50/66/46/790506646.db2.gz	JXABZXBXZQYTGG-KZNAEPCWSA-N	1	0	365.518	1.522	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCN(C)C(=O)C2)C[C@H]1C	ZINC001104360497	777273773	/nfs/dbraw/zinc/27/37/73/777273773.db2.gz	LEFQEAKROTUZSY-IXDOHACOSA-N	1	0	351.491	1.132	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(N)=O)C1	ZINC001104360772	777278971	/nfs/dbraw/zinc/27/89/71/777278971.db2.gz	WGQNPPXBQMYVOF-BZUAXINKSA-N	1	0	359.470	1.813	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(C#C)cc1)C2	ZINC001112505987	777468075	/nfs/dbraw/zinc/46/80/75/777468075.db2.gz	TVDSAUYHUAKFAQ-UGKGYDQZSA-N	1	0	363.461	1.249	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1	ZINC000971567935	777679105	/nfs/dbraw/zinc/67/91/05/777679105.db2.gz	CKXLGMWBPAKTNO-JFIYKMOQSA-N	1	0	356.470	1.441	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(CC2CC[NH+](Cc3ccncc3)CC2)C1=O	ZINC000656834813	777684546	/nfs/dbraw/zinc/68/45/46/777684546.db2.gz	MMRWDQYZVDNUCQ-QGZVFWFLSA-N	1	0	358.442	1.417	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1ccccc1C(N)=O)C2	ZINC001112506289	777753281	/nfs/dbraw/zinc/75/32/81/777753281.db2.gz	DRZRCFUIWXAQQH-UWJYYQICSA-N	1	0	353.466	1.570	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@](C)(F)CCCC)C[C@H]1C	ZINC001104365903	777804822	/nfs/dbraw/zinc/80/48/22/777804822.db2.gz	ZOGLSGZSPMLMIY-GPMSIDNRSA-N	1	0	353.482	1.728	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cn(C)nn2)[C@H](C[NH2+]Cc2cc(C#N)ccc2F)C1	ZINC001087161487	777990745	/nfs/dbraw/zinc/99/07/45/777990745.db2.gz	MUQBLSYAHCZURZ-CJNGLKHVSA-N	1	0	370.432	1.856	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N[C@@]34CCC[C@@H]3[NH2+]CC4)CC2)nc1	ZINC000891501044	778152619	/nfs/dbraw/zinc/15/26/19/778152619.db2.gz	YCVMRBJUENURAM-QFBILLFUSA-N	1	0	354.458	1.506	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N3CC[NH2+]CCC34CCC4)CC2)nc1	ZINC000891501064	778152934	/nfs/dbraw/zinc/15/29/34/778152934.db2.gz	YULAZQFCKOJDGZ-UHFFFAOYSA-N	1	0	368.485	1.850	20	30		FDEDRO
C[C@]1(C#N)CN(C(=O)NCC2(N3CCOCC3)CCCCC2)CCO1	ZINC000891502007	778157588	/nfs/dbraw/zinc/15/75/88/778157588.db2.gz	SZYOELKXCAZOIN-KRWDZBQOSA-N	1	0	350.463	1.346	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc3oc(C4CC4)nc3c2)C1	ZINC000891608335	778475127	/nfs/dbraw/zinc/47/51/27/778475127.db2.gz	UZVYESBXLURQMP-OAHLLOKOSA-N	1	0	366.421	1.858	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)C(=O)Nc2cccc(NC(=O)C(C)C)c2)C1	ZINC000891606250	778491627	/nfs/dbraw/zinc/49/16/27/778491627.db2.gz	DLNFOSAEHUNDAU-KRWDZBQOSA-N	1	0	370.453	1.433	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cc(C)cc(C)n2)C[C@H]1C	ZINC001104375465	778601778	/nfs/dbraw/zinc/60/17/78/778601778.db2.gz	NLCJKCQTXCPOBO-KBAYOESNSA-N	1	0	370.497	1.524	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CCC(=O)N1C)C2	ZINC001112507100	778728197	/nfs/dbraw/zinc/72/81/97/778728197.db2.gz	WYNFSTDMJOCJCW-QKLQHJQFSA-N	1	0	363.502	1.418	20	30		FDEDRO
CC(C)(C(=O)N1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1)[NH+]1CCCC1	ZINC000971705550	778742993	/nfs/dbraw/zinc/74/29/93/778742993.db2.gz	GZIQFOVSDGLYRZ-NVXWUHKLSA-N	1	0	369.469	1.434	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)C1	ZINC000971709149	778758426	/nfs/dbraw/zinc/75/84/26/778758426.db2.gz	JAQAYPPFISSXDL-OWQGQXMQSA-N	1	0	361.417	1.534	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)C(=O)NC(N)=O)C1	ZINC001112507465	778990419	/nfs/dbraw/zinc/99/04/19/778990419.db2.gz	MGPZXHNCPXSNGH-NJSLBKSFSA-N	1	0	364.490	1.390	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2C=CCC2)C[C@H]1c1ccccc1	ZINC001211524678	779340596	/nfs/dbraw/zinc/34/05/96/779340596.db2.gz	WBTCNGNZWVGLQE-YSIASYRMSA-N	1	0	365.477	1.676	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](Cc2ccccc2O[C@@H](C)C(=O)OC)CC1	ZINC000891783486	779394124	/nfs/dbraw/zinc/39/41/24/779394124.db2.gz	HFWAFTCGQPESLJ-HNNXBMFYSA-N	1	0	358.438	1.588	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(n3cnnn3)CCCCC1)C2	ZINC001112508045	780025940	/nfs/dbraw/zinc/02/59/40/780025940.db2.gz	KWHPTRLKYGMDQO-WMZOPIPTSA-N	1	0	356.474	1.184	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCc2c(=O)[nH]n(C)c2C1)C(C)C	ZINC000891939575	780302613	/nfs/dbraw/zinc/30/26/13/780302613.db2.gz	BETZPUHOEIJJDG-MRXNPFEDSA-N	1	0	361.490	1.892	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001087184352	780350787	/nfs/dbraw/zinc/35/07/87/780350787.db2.gz	ITTNFVDKNJQCKQ-MNEFBYGVSA-N	1	0	368.481	1.801	20	30		FDEDRO
CC(C)(C(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1)[NH+]1CCCC1	ZINC000971873528	780359960	/nfs/dbraw/zinc/35/99/60/780359960.db2.gz	WZQIBZVRCHVTRI-RHSMWYFYSA-N	1	0	369.469	1.434	20	30		FDEDRO
C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2ccc(C#N)cc2CO)CC1	ZINC000891951680	780415718	/nfs/dbraw/zinc/41/57/18/780415718.db2.gz	ACJQGYDGJFHONT-UHFFFAOYSA-N	1	0	372.513	1.971	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]32)CC[N@@H+]1C	ZINC001022471057	780495302	/nfs/dbraw/zinc/49/53/02/780495302.db2.gz	SOWXBSBJVQZCSD-YRBFXIGRSA-N	1	0	369.469	1.290	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)CN(Cc3ccoc3)C3CC3)CC2)o1	ZINC000934004831	780590996	/nfs/dbraw/zinc/59/09/96/780590996.db2.gz	QKJVOLLBEUDFOT-UHFFFAOYSA-N	1	0	369.425	1.761	20	30		FDEDRO
C#CCOCCNC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-]	ZINC000934046176	780645900	/nfs/dbraw/zinc/64/59/00/780645900.db2.gz	YIFJOGGYVHVRGM-UHFFFAOYSA-N	1	0	361.402	1.118	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(CC)s2)C[C@H]1C	ZINC001104395067	780973613	/nfs/dbraw/zinc/97/36/13/780973613.db2.gz	FPFMWBFJIGGTOL-HUUCEWRRSA-N	1	0	361.511	1.748	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3O2)C[C@H]1C	ZINC001104397556	781281738	/nfs/dbraw/zinc/28/17/38/781281738.db2.gz	QLJJJUWMQOTDRF-POAQFYNOSA-N	1	0	356.466	1.714	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCc3ccc(OC)cc32)CC1	ZINC000277379129	781619279	/nfs/dbraw/zinc/61/92/79/781619279.db2.gz	ZHXTZMONBUYBJZ-SFHVURJKSA-N	1	0	369.465	1.009	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2ccc(C)cc2)C[C@H]1C	ZINC001104398643	781698343	/nfs/dbraw/zinc/69/83/43/781698343.db2.gz	VDOCBXXHHODCNW-IEBWSBKVSA-N	1	0	355.482	1.361	20	30		FDEDRO
C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@H]1c1ccccc1	ZINC001211538204	781800075	/nfs/dbraw/zinc/80/00/75/781800075.db2.gz	WQSCTADLXGONEU-BPQIPLTHSA-N	1	0	361.511	1.988	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)CC2)CC1	ZINC001075452627	783301981	/nfs/dbraw/zinc/30/19/81/783301981.db2.gz	MJBIOOODXXVRGS-ZHALLVOQSA-N	1	0	359.514	1.875	20	30		FDEDRO
[O-]C(=[NH+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCC[C@H]1Cn1ccnn1	ZINC000329095120	783383429	/nfs/dbraw/zinc/38/34/29/783383429.db2.gz	XUCDBZBWGVWWCE-GVDBMIGSSA-N	1	0	362.478	1.034	20	30		FDEDRO
C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)Nc1ccc(C#N)c(F)c1	ZINC000892287795	783467261	/nfs/dbraw/zinc/46/72/61/783467261.db2.gz	VVWHEQNECKWCDR-ZDUSSCGKSA-N	1	0	367.384	1.768	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H](C)C4CCC4)[C@@H]3C2)CC1	ZINC000972817223	783723572	/nfs/dbraw/zinc/72/35/72/783723572.db2.gz	WQEMONBLQBAPEO-PWIZWCRZSA-N	1	0	371.525	1.827	20	30		FDEDRO
C=CCN(C(=O)NCC(=O)NCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000377020473	790973295	/nfs/dbraw/zinc/97/32/95/790973295.db2.gz	PGNIDACTICOXTH-KRWDZBQOSA-N	1	0	355.442	1.098	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3cc(C)cs3)C[C@H]21	ZINC000972834933	783901810	/nfs/dbraw/zinc/90/18/10/783901810.db2.gz	JJEHIHUYYPKMQS-IXDOHACOSA-N	1	0	371.506	1.827	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C3CC(F)(F)C3)C[C@H]21	ZINC000972835426	783904145	/nfs/dbraw/zinc/90/41/45/783904145.db2.gz	UGKYOXXWNVPPHI-VNQPRFMTSA-N	1	0	365.424	1.189	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21	ZINC000972847255	783934328	/nfs/dbraw/zinc/93/43/28/783934328.db2.gz	ZMDKDBLHVNNCSX-SOLBZPMBSA-N	1	0	369.469	1.434	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@H](O)Cn2cccn2)C1	ZINC001112519938	783939554	/nfs/dbraw/zinc/93/95/54/783939554.db2.gz	GUJBTGWERBEQKD-BJLQDIEVSA-N	1	0	360.502	1.819	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N(C)CC1C[NH+](C)C1	ZINC000658430997	784027017	/nfs/dbraw/zinc/02/70/17/784027017.db2.gz	AHRKHTFJUBTSHS-UHFFFAOYSA-N	1	0	355.891	1.936	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001024157824	784032575	/nfs/dbraw/zinc/03/25/75/784032575.db2.gz	HRJZMIDEFFZJNE-UAGQMJEPSA-N	1	0	370.453	1.016	20	30		FDEDRO
N#Cc1cc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)ccc1F	ZINC001024158060	784034790	/nfs/dbraw/zinc/03/47/90/784034790.db2.gz	JSZGHHXRWYJOSE-BMFZPTHFSA-N	1	0	358.417	1.147	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N(CC)[C@H]2CC[N@H+](CC)C2)cc1	ZINC000658466453	784105284	/nfs/dbraw/zinc/10/52/84/784105284.db2.gz	HEDZVXODVUMUHG-KRWDZBQOSA-N	1	0	372.469	1.484	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1	ZINC000658494443	784146994	/nfs/dbraw/zinc/14/69/94/784146994.db2.gz	BWQUFLIZBSLTGW-QGZVFWFLSA-N	1	0	364.534	1.286	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1	ZINC000658554304	784297398	/nfs/dbraw/zinc/29/73/98/784297398.db2.gz	FFIKIDUQRKQLJF-QZTJIDSGSA-N	1	0	362.518	1.040	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)N[C@H]3CC[C@H](C[NH3+])CC3)CC2)cc1	ZINC000892449629	784382036	/nfs/dbraw/zinc/38/20/36/784382036.db2.gz	IDUJSNHFGNRKEA-UAPYVXQJSA-N	1	0	355.486	1.903	20	30		FDEDRO
N#CCNC(=O)CNC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000377059011	791031170	/nfs/dbraw/zinc/03/11/70/791031170.db2.gz	YGRHGNOXEQUFNY-QZTJIDSGSA-N	1	0	369.469	1.465	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C	ZINC000658613328	784649620	/nfs/dbraw/zinc/64/96/20/784649620.db2.gz	AHOXZPMPTDYOGN-INIZCTEOSA-N	1	0	361.442	1.719	20	30		FDEDRO
C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1	ZINC000413837120	785510081	/nfs/dbraw/zinc/51/00/81/785510081.db2.gz	QJOLWSRHCRJBCE-MSOLQXFVSA-N	1	0	359.470	1.920	20	30		FDEDRO
C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1	ZINC001024650809	785619344	/nfs/dbraw/zinc/61/93/44/785619344.db2.gz	MSJWSAUOSWZYGR-OKZBNKHCSA-N	1	0	363.502	1.703	20	30		FDEDRO
C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1	ZINC001024651213	785620349	/nfs/dbraw/zinc/62/03/49/785620349.db2.gz	XFIISMIOLIMEFZ-FGTMMUONSA-N	1	0	363.502	1.703	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnn3ccc(C)nc23)C1	ZINC001111941218	785907640	/nfs/dbraw/zinc/90/76/40/785907640.db2.gz	JYEKPDDOXPJYJZ-JXFKEZNVSA-N	1	0	369.469	1.825	20	30		FDEDRO
N#CCOc1ccccc1C(=O)N1CCN(CC[N@@H+]2CCCOCC2)CC1	ZINC000376138434	785981816	/nfs/dbraw/zinc/98/18/16/785981816.db2.gz	BMAVOUUNXRWUFP-UHFFFAOYSA-N	1	0	372.469	1.069	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CCCC[C@@H]1c1nc(-c2ncccn2)no1	ZINC000376153236	786021582	/nfs/dbraw/zinc/02/15/82/786021582.db2.gz	YBFJYNAYWDDXQF-CQSZACIVSA-N	1	0	369.429	1.816	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C(C)C)C[C@H]1c1ccccc1	ZINC001211682099	805657695	/nfs/dbraw/zinc/65/76/95/805657695.db2.gz	JWXFCWJREOFRPV-YTQUADARSA-N	1	0	355.482	1.612	20	30		FDEDRO
COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)NCC#CCO)CC2)c1C	ZINC000923781917	786590347	/nfs/dbraw/zinc/59/03/47/786590347.db2.gz	DZOMPHGRTIATLN-UHFFFAOYSA-N	1	0	374.485	1.309	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@H]1c1ccccc1	ZINC001211639685	787131223	/nfs/dbraw/zinc/13/12/23/787131223.db2.gz	FSTCWESJZHEZRZ-WAOWUJCRSA-N	1	0	371.481	1.299	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccnc(OC)n1	ZINC001025090853	787829629	/nfs/dbraw/zinc/82/96/29/787829629.db2.gz	RIZNXSRELXEARM-ZACQAIPSSA-N	1	0	360.458	1.547	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](CCC)OCC)C[C@H]1C	ZINC001104559382	787854819	/nfs/dbraw/zinc/85/48/19/787854819.db2.gz	PJNXETXYNCHIDG-ZACQAIPSSA-N	1	0	351.491	1.015	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCC2([NH3+])CCCC2)cc1	ZINC000659100118	788015182	/nfs/dbraw/zinc/01/51/82/788015182.db2.gz	ONMYCKKZHHEPFP-UHFFFAOYSA-N	1	0	359.430	1.320	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2csc(C)n2)C[C@H]1C	ZINC001104578334	788401532	/nfs/dbraw/zinc/40/15/32/788401532.db2.gz	SSPQGEYLVXZZEU-UMVBOHGHSA-N	1	0	364.515	1.830	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000973318604	788564513	/nfs/dbraw/zinc/56/45/13/788564513.db2.gz	AOEWGPQTPNIHRV-WJQMWINMSA-N	1	0	363.502	1.461	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000973336112	788654595	/nfs/dbraw/zinc/65/45/95/788654595.db2.gz	WHNHUJZJSFIJHV-LUKYLMHMSA-N	1	0	358.486	1.781	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2Cc3ccc(F)cc32)C[C@H]1C	ZINC001104587038	788736027	/nfs/dbraw/zinc/73/60/27/788736027.db2.gz	FAPPFIVDOMNTMF-OGWOLHLISA-N	1	0	371.456	1.289	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2coc(C(F)F)c2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104587744	788737154	/nfs/dbraw/zinc/73/71/54/788737154.db2.gz	QLAHWGKHJWXMQX-VXGBXAGGSA-N	1	0	368.384	1.545	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C(N)=O)co1)C2	ZINC001112528933	805917768	/nfs/dbraw/zinc/91/77/68/805917768.db2.gz	WVOANVYBSQFRFG-GUYCJALGSA-N	1	0	351.834	1.963	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(C(=O)NC)c3)[C@H]2C1	ZINC001083280605	789011028	/nfs/dbraw/zinc/01/10/28/789011028.db2.gz	XXAGLJOWKWWUIA-ZWKOTPCHSA-N	1	0	357.454	1.538	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCOCC)C1	ZINC001104631423	789059422	/nfs/dbraw/zinc/05/94/22/789059422.db2.gz	MZHNMVCHWXVTOM-HLIPFELVSA-N	1	0	367.534	1.816	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(CC)CC)C2)c1	ZINC001104659481	789181780	/nfs/dbraw/zinc/18/17/80/789181780.db2.gz	NCNUOFRMTKTJFT-SJLPKXTDSA-N	1	0	370.497	1.619	20	30		FDEDRO
CC[C@@H](C#N)Oc1cc(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)ccc1OC	ZINC000376605025	789183628	/nfs/dbraw/zinc/18/36/28/789183628.db2.gz	ZLKPZZHDTFSGJU-DLBZAZTESA-N	1	0	372.469	1.382	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccn3nnnc3c2)C[C@H]1c1ccccc1	ZINC001211646631	789203156	/nfs/dbraw/zinc/20/31/56/789203156.db2.gz	CUEVBBSWWUAJTP-ZWKOTPCHSA-N	1	0	360.421	1.345	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](CCCC)C(N)=O)C2)c1	ZINC001104659708	789209967	/nfs/dbraw/zinc/20/99/67/789209967.db2.gz	UOEMAAPHCANWFB-SZVBFZGTSA-N	1	0	370.497	1.795	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CC[NH2+]CC#Cc1ccc(F)cc1	ZINC001104686813	789378263	/nfs/dbraw/zinc/37/82/63/789378263.db2.gz	RPJYKKWBFZOUDC-OPNNQBFTSA-N	1	0	371.456	1.373	20	30		FDEDRO
C#CC[C@@H](C)NC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1	ZINC000376663189	789619020	/nfs/dbraw/zinc/61/90/20/789619020.db2.gz	GWYDHLYMNAHZPM-OAHLLOKOSA-N	1	0	356.470	1.684	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2c(C)cccc2C)C[C@H]1C	ZINC001104714123	789665766	/nfs/dbraw/zinc/66/57/66/789665766.db2.gz	MFECOVIGNNQFPH-QZTJIDSGSA-N	1	0	355.482	1.741	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(C)nn2CC)C[C@H]1C	ZINC001104716547	789676422	/nfs/dbraw/zinc/67/64/22/789676422.db2.gz	YNURYVLZCVUUIV-GDBMZVCRSA-N	1	0	361.490	1.201	20	30		FDEDRO
CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C[C@@H](C)O2	ZINC001098603634	791526757	/nfs/dbraw/zinc/52/67/57/791526757.db2.gz	SUEFBXRWTYXYJW-CEXWTWQISA-N	1	0	361.530	1.822	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1	ZINC000892942901	791878242	/nfs/dbraw/zinc/87/82/42/791878242.db2.gz	BCVXKYCZRPJIRC-OALUTQOASA-N	1	0	372.469	1.752	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1	ZINC000892942902	791878364	/nfs/dbraw/zinc/87/83/64/791878364.db2.gz	BCVXKYCZRPJIRC-RBUKOAKNSA-N	1	0	372.469	1.752	20	30		FDEDRO
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCCN1CC[NH2+]CC1	ZINC000415318754	791923147	/nfs/dbraw/zinc/92/31/47/791923147.db2.gz	HRVPBTUVZNLLKW-UHFFFAOYSA-N	1	0	358.486	1.498	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)C3CCCCC3)C[C@H]21	ZINC001025790746	792041083	/nfs/dbraw/zinc/04/10/83/792041083.db2.gz	KZGJTTGONGSIGZ-NADOGSGZSA-N	1	0	362.514	1.955	20	30		FDEDRO
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)c1C	ZINC000415377530	792135654	/nfs/dbraw/zinc/13/56/54/792135654.db2.gz	MAHKIKWYIYETIN-OAHLLOKOSA-N	1	0	366.425	1.168	20	30		FDEDRO
C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000415410329	792202220	/nfs/dbraw/zinc/20/22/20/792202220.db2.gz	KCMLBYXFFGXAPA-JTQLQIEISA-N	1	0	372.347	1.410	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3CCC[C@@H](CC[NH3+])C3)n2)c(F)c1	ZINC000415456064	792300925	/nfs/dbraw/zinc/30/09/25/792300925.db2.gz	KHFSNFXJNDCKKX-ZDUSSCGKSA-N	1	0	356.405	2.476	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC[C@@H]1[NH3+]	ZINC000415462209	792310206	/nfs/dbraw/zinc/31/02/06/792310206.db2.gz	OSYIWAKTWPQMKX-BEFAXECRSA-N	1	0	362.433	1.616	20	30		FDEDRO
C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000415498435	792375653	/nfs/dbraw/zinc/37/56/53/792375653.db2.gz	QHWIKGVLNAVURW-LBPRGKRZSA-N	1	0	370.331	1.606	20	30		FDEDRO
C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000415500066	792389222	/nfs/dbraw/zinc/38/92/22/792389222.db2.gz	RYPZTVQZEICOHK-LJQANCHMSA-N	1	0	362.433	1.630	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCn3ccnc3C2)c(OC)c1	ZINC000644626148	792400557	/nfs/dbraw/zinc/40/05/57/792400557.db2.gz	MNUIDAJVOLVJEO-DLBZAZTESA-N	1	0	357.454	1.965	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@H]2C(=O)NC[C@@H]2C1	ZINC000377657707	792447148	/nfs/dbraw/zinc/44/71/48/792447148.db2.gz	VJQLCZJDPDKLTJ-ARFHVFGLSA-N	1	0	370.453	1.398	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@H]2C(=O)NC[C@H]2C1	ZINC000377657709	792447271	/nfs/dbraw/zinc/44/72/71/792447271.db2.gz	VJQLCZJDPDKLTJ-HRCADAONSA-N	1	0	370.453	1.398	20	30		FDEDRO
Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)cc1C	ZINC000377685126	792508966	/nfs/dbraw/zinc/50/89/66/792508966.db2.gz	XWBOIDUCUGLALU-AEFFLSMTSA-N	1	0	354.454	1.618	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)c1	ZINC000415555556	792517493	/nfs/dbraw/zinc/51/74/93/792517493.db2.gz	RAKIVDBGHMNLAA-UHFFFAOYSA-N	1	0	370.453	1.910	20	30		FDEDRO
C=C(C)C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)C(=O)OCC	ZINC000893548270	806161869	/nfs/dbraw/zinc/16/18/69/806161869.db2.gz	PWYGOEPLXQCBKC-IKGGRYGDSA-N	1	0	362.474	1.470	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1	ZINC000415575488	792571351	/nfs/dbraw/zinc/57/13/51/792571351.db2.gz	XEPYUHPHBVPEGN-CHWSQXEVSA-N	1	0	359.430	1.141	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1C#N	ZINC000415593574	792629856	/nfs/dbraw/zinc/62/98/56/792629856.db2.gz	JNGGHIZKQGEQMV-LJQANCHMSA-N	1	0	356.426	1.496	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1	ZINC000377762776	792749878	/nfs/dbraw/zinc/74/98/78/792749878.db2.gz	SVDUVBGNWKHKLG-HOTGVXAUSA-N	1	0	364.490	1.937	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C/C=C(\C)C=C)C[C@H]1c1ccccc1	ZINC001211650595	792757049	/nfs/dbraw/zinc/75/70/49/792757049.db2.gz	OJZFPVZKYQUVSP-NJGNHYEOSA-N	1	0	365.477	1.842	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1	ZINC000415736478	792901640	/nfs/dbraw/zinc/90/16/40/792901640.db2.gz	BQMAXOWDEWBBJD-KBPBESRZSA-N	1	0	371.441	1.001	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc3ccccn3c2)C[C@H]1C	ZINC001104751438	792918957	/nfs/dbraw/zinc/91/89/57/792918957.db2.gz	PVEDXJDKHOJRRK-IAGOWNOFSA-N	1	0	368.481	1.929	20	30		FDEDRO
CN(C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)C1CC([NH3+])C1	ZINC000415791450	793005563	/nfs/dbraw/zinc/00/55/63/793005563.db2.gz	QJIWCOCWLWNNFT-UHFFFAOYSA-N	1	0	370.331	1.386	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1C#N	ZINC000415810099	793036711	/nfs/dbraw/zinc/03/67/11/793036711.db2.gz	NROGIXHUWAJTLD-UKRRQHHQSA-N	1	0	358.442	1.918	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c1	ZINC000415815978	793053651	/nfs/dbraw/zinc/05/36/51/793053651.db2.gz	SUBOYOKPJJJXKW-RYUDHWBXSA-N	1	0	366.368	1.732	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c1	ZINC000415815976	793054172	/nfs/dbraw/zinc/05/41/72/793054172.db2.gz	SUBOYOKPJJJXKW-NEPJUHHUSA-N	1	0	366.368	1.732	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(n2cc(CNC[C@@H](F)CC)nn2)C1	ZINC001105342727	806211395	/nfs/dbraw/zinc/21/13/95/806211395.db2.gz	SUPJWKGYSZEKJI-JQFCIGGWSA-N	1	0	365.453	1.480	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1	ZINC000415839507	793114969	/nfs/dbraw/zinc/11/49/69/793114969.db2.gz	KFKGUCMGFPMCPP-BFUOFWGJSA-N	1	0	358.442	1.727	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1	ZINC000415856065	793188944	/nfs/dbraw/zinc/18/89/44/793188944.db2.gz	ZHECBEWLCAIIBW-ZFWWWQNUSA-N	1	0	358.442	1.727	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCCC1=CC[NH2+]CC1	ZINC000415878509	793272876	/nfs/dbraw/zinc/27/28/76/793272876.db2.gz	NHWQITSVLAHFOP-UHFFFAOYSA-N	1	0	356.426	1.710	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1C#N	ZINC000415890108	793295266	/nfs/dbraw/zinc/29/52/66/793295266.db2.gz	GZZBLZQLBQUIGL-UKRRQHHQSA-N	1	0	356.426	1.352	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21	ZINC001026101957	793303619	/nfs/dbraw/zinc/30/36/19/793303619.db2.gz	ZWKJSVADNKIOBD-SOMFZHDCSA-N	1	0	361.486	1.023	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C1	ZINC001104757824	793487895	/nfs/dbraw/zinc/48/78/95/793487895.db2.gz	OJMNHSSBRFDQSR-BHIYHBOVSA-N	1	0	363.502	1.181	20	30		FDEDRO
C=CCN(CCC#N)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1	ZINC000416032577	793516515	/nfs/dbraw/zinc/51/65/15/793516515.db2.gz	WBKLNDDRDDDINF-UHFFFAOYSA-N	1	0	357.458	1.904	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3coc(C)n3)C2)nn1	ZINC001104769401	793555974	/nfs/dbraw/zinc/55/59/74/793555974.db2.gz	STUMCDGPURHSJS-UKRRQHHQSA-N	1	0	358.446	1.649	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ccon3)C2)nn1	ZINC001104777315	793598755	/nfs/dbraw/zinc/59/87/55/793598755.db2.gz	DXTQCMWMLPBWRM-HUUCEWRRSA-N	1	0	358.446	1.730	20	30		FDEDRO
C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1	ZINC000180239534	793605910	/nfs/dbraw/zinc/60/59/10/793605910.db2.gz	DRASQQATSPUNQA-CQSZACIVSA-N	1	0	357.458	1.431	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)C2(NC(C)=O)CCCC2)C[C@H]1C	ZINC001104784491	793638779	/nfs/dbraw/zinc/63/87/79/793638779.db2.gz	QUZRENXQYLHBNK-SJLPKXTDSA-N	1	0	365.518	1.712	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCCO2)C[C@H]1C(F)(F)F	ZINC001112051926	793796993	/nfs/dbraw/zinc/79/69/93/793796993.db2.gz	QFFAJSOPAXDKPB-MGPQQGTHSA-N	1	0	350.381	1.737	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1CC[NH2+]Cc1ccc(OCC#N)cc1	ZINC001104810100	793822587	/nfs/dbraw/zinc/82/25/87/793822587.db2.gz	AQYZTSTYCCLOLJ-GDBMZVCRSA-N	1	0	368.441	1.595	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1	ZINC001104832607	793962399	/nfs/dbraw/zinc/96/23/99/793962399.db2.gz	KCOATFKNILHZJY-CRAIPNDOSA-N	1	0	367.457	1.209	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ncccc2F)C[C@H]1C	ZINC001104835737	793983360	/nfs/dbraw/zinc/98/33/60/793983360.db2.gz	FOQRGGLLZGAORQ-RBSFLKMASA-N	1	0	362.449	1.599	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C	ZINC001104879446	794193735	/nfs/dbraw/zinc/19/37/35/794193735.db2.gz	KAMCXVBBKUSGMO-IXDOHACOSA-N	1	0	354.516	1.299	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)c2cn([C@H]3CCOC3)nn2)C[C@H]1C	ZINC001104882428	794196742	/nfs/dbraw/zinc/19/67/42/794196742.db2.gz	YFFBNEVRIPGAPH-YUELXQCFSA-N	1	0	367.881	1.680	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)C2)C[C@H]1C	ZINC001104890410	794233958	/nfs/dbraw/zinc/23/39/58/794233958.db2.gz	XNLQULRDQMDTOJ-GVDBMIGSSA-N	1	0	351.491	1.132	20	30		FDEDRO
C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc3c2C[N@@H+](C2CC2)C3)C1=O	ZINC000378526217	794269654	/nfs/dbraw/zinc/26/96/54/794269654.db2.gz	LDVOROVESCPKNV-UHFFFAOYSA-N	1	0	368.393	1.080	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc3nccn3c2)C[C@H]1C	ZINC001104895013	794271875	/nfs/dbraw/zinc/27/18/75/794271875.db2.gz	PROGDOTZUJSRGX-HZPDHXFCSA-N	1	0	369.469	1.324	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnon2)C1	ZINC001104921763	794405772	/nfs/dbraw/zinc/40/57/72/794405772.db2.gz	OBTSBDJASDFRHX-HUUCEWRRSA-N	1	0	369.425	1.365	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cncn3C)C2)cn1	ZINC001104927855	794436381	/nfs/dbraw/zinc/43/63/81/794436381.db2.gz	XTBZQQNGIUSENJ-NVXWUHKLSA-N	1	0	351.454	1.684	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)C2(CCOC)CCC2)C[C@H]1C	ZINC001104952046	794534870	/nfs/dbraw/zinc/53/48/70/794534870.db2.gz	CWVYNPNKGFPNAY-QZTJIDSGSA-N	1	0	350.503	1.917	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cnn(C)c2OC)C[C@H]1C	ZINC001104954972	794554282	/nfs/dbraw/zinc/55/42/82/794554282.db2.gz	BQAFRYPISXRUMN-HUUCEWRRSA-N	1	0	350.463	1.319	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCOC2)C[C@H]1C(F)(F)F	ZINC001112066887	794566924	/nfs/dbraw/zinc/56/69/24/794566924.db2.gz	KZKDYFFLSQLTCC-BFHYXJOUSA-N	1	0	350.381	1.595	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(OCC)cc2)C[C@H]1C	ZINC001104968775	794627310	/nfs/dbraw/zinc/62/73/10/794627310.db2.gz	WBPZPWGHJWXXJA-SJLPKXTDSA-N	1	0	371.481	1.523	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1	ZINC001112067942	794632255	/nfs/dbraw/zinc/63/22/55/794632255.db2.gz	ARQFZSDLPLINMJ-MGPQQGTHSA-N	1	0	361.408	1.848	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(F)nc2)C[C@H]1C(F)(F)F	ZINC001112068771	794697464	/nfs/dbraw/zinc/69/74/64/794697464.db2.gz	OZHQLERLHAJHHT-CHWSQXEVSA-N	1	0	359.323	1.463	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1	ZINC001104990043	794740326	/nfs/dbraw/zinc/74/03/26/794740326.db2.gz	FKXCFMYUDQAYHX-RHSMWYFYSA-N	1	0	357.458	1.191	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1CC[NH2+]Cc1ccccc1C#N	ZINC001104986373	794741915	/nfs/dbraw/zinc/74/19/15/794741915.db2.gz	DFEREOFLTLGXOW-CRAIPNDOSA-N	1	0	352.442	1.424	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](CN(C)c3cncc(C#N)n3)C2)CC[N@@H+]1C	ZINC001058708471	794758673	/nfs/dbraw/zinc/75/86/73/794758673.db2.gz	MUZOUXCRHLNTPW-BPQIPLTHSA-N	1	0	370.501	1.753	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CCCN2C(=O)CNC2=O)C[C@H]1C	ZINC001104993797	794774032	/nfs/dbraw/zinc/77/40/32/794774032.db2.gz	CEJZTWAMZNGTKA-HZPDHXFCSA-N	1	0	364.490	1.359	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)Cc2nc3ncccn3n2)C[C@H]1C	ZINC001105008252	794893381	/nfs/dbraw/zinc/89/33/81/794893381.db2.gz	WCKXIGSRWKEEMV-TZMCWYRMSA-N	1	0	362.865	1.494	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)c2cncc(C(N)=O)c2)C[C@H]1C	ZINC001105022795	794951890	/nfs/dbraw/zinc/95/18/90/794951890.db2.gz	DNIBWRLUTHUPBU-DGCLKSJQSA-N	1	0	350.850	1.621	20	30		FDEDRO
CNC(=O)c1cccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C2)c1	ZINC001105036405	795016193	/nfs/dbraw/zinc/01/61/93/795016193.db2.gz	GRTKLSZBLCGRKQ-VQIMIIECSA-N	1	0	371.481	1.384	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCc2ccc(C)o2)C[C@H]1C	ZINC001105059283	795092615	/nfs/dbraw/zinc/09/26/15/795092615.db2.gz	UWERCDVQQUPALA-NVXWUHKLSA-N	1	0	361.486	1.897	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cccnc2OCCOC)C[C@H]1C	ZINC001105062543	795099036	/nfs/dbraw/zinc/09/90/36/795099036.db2.gz	WTBMEABFCSOFRB-IAGOWNOFSA-N	1	0	359.470	1.818	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1	ZINC000974321898	795178661	/nfs/dbraw/zinc/17/86/61/795178661.db2.gz	QMDVAQRWWYJNKX-MDMSPXHWSA-N	1	0	361.486	1.215	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCCC2)C1	ZINC001105085296	795199714	/nfs/dbraw/zinc/19/97/14/795199714.db2.gz	JZEPJLHHFLONBZ-IAGOWNOFSA-N	1	0	351.491	1.276	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC2CCCC2)C1	ZINC001105085460	795206245	/nfs/dbraw/zinc/20/62/45/795206245.db2.gz	RMMUMPUMWQAQEV-IAGOWNOFSA-N	1	0	365.518	1.712	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(C)(C)CC)C1	ZINC001105090108	795233646	/nfs/dbraw/zinc/23/36/46/795233646.db2.gz	JSRJBGHLYXPMSX-BRWVUGGUSA-N	1	0	367.534	1.957	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cncc(OC)n2)C1	ZINC001105090356	795235120	/nfs/dbraw/zinc/23/51/20/795235120.db2.gz	SDVVRFAFUHWOJT-HZPDHXFCSA-N	1	0	362.474	1.652	20	30		FDEDRO
C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000417572890	795299141	/nfs/dbraw/zinc/29/91/41/795299141.db2.gz	GXXYFMWMCBYNJJ-UNEWFSDZSA-N	1	0	359.449	1.963	20	30		FDEDRO
C=C(Br)C[NH2+]CC[C@@H]1CN(C(=O)c2nonc2C)C[C@H]1C	ZINC001105108166	795311318	/nfs/dbraw/zinc/31/13/18/795311318.db2.gz	OQQJTPSZCLPXBR-BXKDBHETSA-N	1	0	357.252	1.974	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCC(C[NH3+])CC3)C2=O)cc1	ZINC000418006433	795454814	/nfs/dbraw/zinc/45/48/14/795454814.db2.gz	MHOYPWBHUNQESY-KRWDZBQOSA-N	1	0	355.442	1.434	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)NCCC[C@@H]3CCC[NH2+]3)C2=O)cc1	ZINC000418012988	795461560	/nfs/dbraw/zinc/46/15/60/795461560.db2.gz	SRVGPDBWZDNKRO-WMZOPIPTSA-N	1	0	369.469	1.885	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)NCCC[C@H]3CCC[NH2+]3)C2=O)cc1	ZINC000418075542	795510197	/nfs/dbraw/zinc/51/01/97/795510197.db2.gz	HESGACSLAQQONH-MSOLQXFVSA-N	1	0	369.469	1.491	20	30		FDEDRO
C[NH2+]CCCNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000418283071	795697761	/nfs/dbraw/zinc/69/77/61/795697761.db2.gz	ZTHJMZKVHNSXRK-UHFFFAOYSA-N	1	0	355.446	1.167	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C[C@H](O)COC)C1	ZINC001211655743	795757785	/nfs/dbraw/zinc/75/77/85/795757785.db2.gz	WMCZZNQQFPWGHX-SLFFLAALSA-N	1	0	358.482	1.772	20	30		FDEDRO
CC[NH2+]CCNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N	ZINC000418323075	795786761	/nfs/dbraw/zinc/78/67/61/795786761.db2.gz	HEENWPGUAFWNNN-UHFFFAOYSA-N	1	0	373.436	1.307	20	30		FDEDRO
COCCN1C(=O)C[C@@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)[C@@H]1c1cnn(C)c1C	ZINC000278835173	795862539	/nfs/dbraw/zinc/86/25/39/795862539.db2.gz	ULXQJZLNFXNQBN-AXVVYFOYSA-N	1	0	373.501	1.937	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CCN1Cc1ccccc1	ZINC000418418588	795893744	/nfs/dbraw/zinc/89/37/44/795893744.db2.gz	WLMDBWHZPCHRRM-IPMKNSEASA-N	1	0	355.486	1.923	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C[C@@]12c1ccccc1NC2=O	ZINC000418423773	795901217	/nfs/dbraw/zinc/90/12/17/795901217.db2.gz	JUKAVNXNIHWAHP-GIQLZXEWSA-N	1	0	367.453	1.559	20	30		FDEDRO
COc1cccc(C2=NO[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)C2)c1	ZINC000194176777	795940111	/nfs/dbraw/zinc/94/01/11/795940111.db2.gz	NTWBHXXMURFEHW-GOSISDBHSA-N	1	0	358.442	1.882	20	30		FDEDRO
N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)NC[C@H]([NH3+])C1CC1	ZINC000418502997	796021560	/nfs/dbraw/zinc/02/15/60/796021560.db2.gz	WHLTYSORFMOILH-INIZCTEOSA-N	1	0	367.457	1.295	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N(CC[NH+](C)C)C1CCCC1	ZINC000429802821	796069400	/nfs/dbraw/zinc/06/94/00/796069400.db2.gz	DBRSPGDPNMRVMO-UHFFFAOYSA-N	1	0	358.442	1.838	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)c2cnnn2C2CC[NH2+]CC2)cc1	ZINC000662370977	806499462	/nfs/dbraw/zinc/49/94/62/806499462.db2.gz	GANWRULSAKYONC-UHFFFAOYSA-N	1	0	369.429	1.762	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1	ZINC000979852706	806557692	/nfs/dbraw/zinc/55/76/92/806557692.db2.gz	FNIOHMLDVAQSMF-QAETUUGQSA-N	1	0	361.486	1.074	20	30		FDEDRO
CC#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cnnn2CC)C1	ZINC001087427692	806592722	/nfs/dbraw/zinc/59/27/22/806592722.db2.gz	QMQXOMIRNJLFCP-QZTJIDSGSA-N	1	0	351.454	1.909	20	30		FDEDRO
C=CC[C@]1(C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)CCC[NH2+]1	ZINC000662436209	806602846	/nfs/dbraw/zinc/60/28/46/806602846.db2.gz	NQUSNYUTFXOUID-QGZVFWFLSA-N	1	0	351.472	1.882	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC000980082896	806742067	/nfs/dbraw/zinc/74/20/67/806742067.db2.gz	VWMBGUDEFAUONT-MWQQHZPXSA-N	1	0	354.454	1.028	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1	ZINC000974603813	799885958	/nfs/dbraw/zinc/88/59/58/799885958.db2.gz	YWBUPDDHSACERE-SOLBZPMBSA-N	1	0	358.486	1.687	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1	ZINC001112523394	799951696	/nfs/dbraw/zinc/95/16/96/799951696.db2.gz	QLIQXVMNUMLABP-SZMVWBNQSA-N	1	0	356.532	1.852	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN(c2nccnn2)CC1)C(C)C	ZINC000636573793	800066074	/nfs/dbraw/zinc/06/60/74/800066074.db2.gz	HMNDBTCPBHWMMF-KRWDZBQOSA-N	1	0	373.505	1.402	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C[C@H]21	ZINC000974728026	800201142	/nfs/dbraw/zinc/20/11/42/800201142.db2.gz	NHUMFYYSJCAHBU-NVXWUHKLSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C(C)Cn1c(-c2ccc(=O)n(C)c2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1	ZINC000909341743	800327429	/nfs/dbraw/zinc/32/74/29/800327429.db2.gz	MYNFKRJDLGEKLV-KRWDZBQOSA-N	1	0	368.485	1.893	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)C[C@H]21	ZINC000974977263	800630530	/nfs/dbraw/zinc/63/05/30/800630530.db2.gz	LJDWFLDBVOCPTB-JJRVBVJISA-N	1	0	364.409	1.100	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3OCC[C@H]3C)C2)cc1C#N	ZINC001027071784	800878095	/nfs/dbraw/zinc/87/80/95/800878095.db2.gz	QUOHJTAPGKBBJI-ALKREAHSSA-N	1	0	357.454	1.930	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C(=O)NC)cc2)C1	ZINC001027074681	800885957	/nfs/dbraw/zinc/88/59/57/800885957.db2.gz	FATWXXAJVTXNRT-UHOSZYNNSA-N	1	0	371.481	1.575	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nn(C)cc2Cl)C1	ZINC001027076193	800891424	/nfs/dbraw/zinc/89/14/24/800891424.db2.gz	IGFKBROPZFAHAM-ZENOOKHLSA-N	1	0	352.866	1.603	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2csnn2)C1	ZINC001027114410	800990679	/nfs/dbraw/zinc/99/06/79/800990679.db2.gz	YGMRDMZPNBGOTI-KBMXLJTQSA-N	1	0	350.488	1.848	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnc(CC)n2C)C1	ZINC001027116962	801013230	/nfs/dbraw/zinc/01/32/30/801013230.db2.gz	MBEYMYVEPSLMQT-VKJFTORMSA-N	1	0	361.490	1.297	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC2CCC(NC(=O)[C@@H]3C[C@H]3C3CC3)CC2)CC1	ZINC000980234830	806896876	/nfs/dbraw/zinc/89/68/76/806896876.db2.gz	ZUZWDMJBYIZQLQ-GHBBCFCZSA-N	1	0	371.525	1.921	20	30		FDEDRO
C=CC[C@@]1(C(=O)N(C)CCNS(=O)(=O)c2ccc(C)cc2)CCC[NH2+]1	ZINC000662637540	806914914	/nfs/dbraw/zinc/91/49/14/806914914.db2.gz	UFNUOLHAYDBLDY-SFHVURJKSA-N	1	0	365.499	1.430	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]21	ZINC000975752111	802200343	/nfs/dbraw/zinc/20/03/43/802200343.db2.gz	GQFLYIWGADBBGO-AYBZRNKSSA-N	1	0	368.481	1.971	20	30		FDEDRO
C[N@H+](CC(=O)N1CC[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@H]2C1)C1CCC1	ZINC000975769221	802299010	/nfs/dbraw/zinc/29/90/10/802299010.db2.gz	XHMVZGPOIJGGNO-KSSFIOAISA-N	1	0	369.469	1.434	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2	ZINC000660996950	802334788	/nfs/dbraw/zinc/33/47/88/802334788.db2.gz	PYJAHBQLUQYNGB-GOSISDBHSA-N	1	0	370.497	1.890	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]21	ZINC000975821064	802519644	/nfs/dbraw/zinc/51/96/44/802519644.db2.gz	RGWFPFXPEGQJLN-KEYYUXOJSA-N	1	0	355.442	1.370	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@H]2C1	ZINC000976024522	802885171	/nfs/dbraw/zinc/88/51/71/802885171.db2.gz	KXAAQEPHCOAPCJ-HFTRVMKXSA-N	1	0	369.469	1.434	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCC(CNC(=O)c3ccccn3)CC2)CCC[NH2+]1	ZINC000662802532	803340128	/nfs/dbraw/zinc/34/01/28/803340128.db2.gz	BLGJOBNXESHQEE-HXUWFJFHSA-N	1	0	356.470	1.748	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H](C)C2CC2)CC1	ZINC000976467224	803398913	/nfs/dbraw/zinc/39/89/13/803398913.db2.gz	HKODWXRIYZNBAP-ATZDWAIDSA-N	1	0	359.514	1.921	20	30		FDEDRO
C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2cc(C#N)c[nH]2)CC1	ZINC000976471415	803425286	/nfs/dbraw/zinc/42/52/86/803425286.db2.gz	XZKCTAVUUHLZQZ-HZPDHXFCSA-N	1	0	357.458	1.385	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC000976556339	803521515	/nfs/dbraw/zinc/52/15/15/803521515.db2.gz	UATVSCLOVPUJMX-IAOVAPTHSA-N	1	0	357.458	1.528	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C[C@@H](C)[NH2+]1	ZINC000423146355	814972725	/nfs/dbraw/zinc/97/27/25/814972725.db2.gz	AICBNRYIZJQMBY-HUUCEWRRSA-N	1	0	370.453	1.137	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C[C@H](C)[NH2+]1	ZINC000423158068	814977438	/nfs/dbraw/zinc/97/74/38/814977438.db2.gz	WDOIGZYFWANOMM-GASCZTMLSA-N	1	0	370.453	1.137	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1	ZINC000423171725	814987677	/nfs/dbraw/zinc/98/76/77/814987677.db2.gz	PSWPJNNEBHIWIT-SJORKVTESA-N	1	0	357.454	1.278	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1	ZINC000423193645	814996883	/nfs/dbraw/zinc/99/68/83/814996883.db2.gz	XPZBZWSEEPVRLN-GBESFXJTSA-N	1	0	355.482	1.830	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1	ZINC000423193647	814996932	/nfs/dbraw/zinc/99/69/32/814996932.db2.gz	XPZBZWSEEPVRLN-OTWHNJEPSA-N	1	0	355.482	1.830	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1	ZINC000423219333	815006891	/nfs/dbraw/zinc/00/68/91/815006891.db2.gz	WDQHVXDDMPLGBW-UAGQMJEPSA-N	1	0	372.425	1.305	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cn(C)nc3C)C[C@H]21	ZINC000978168514	805264128	/nfs/dbraw/zinc/26/41/28/805264128.db2.gz	PHFFKTVJNWGZBE-QQXKLLMISA-N	1	0	358.486	1.504	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC#CCOC)C1	ZINC001211676842	805285981	/nfs/dbraw/zinc/28/59/81/805285981.db2.gz	SSHXLSXOWCTILR-MHTWAQMVSA-N	1	0	368.477	1.812	20	30		FDEDRO
C[C@@H]1C[C@@H](CCNC(=O)NCC(=O)NCC#N)C[N@@H+]1Cc1ccccc1	ZINC000511907107	805289954	/nfs/dbraw/zinc/28/99/54/805289954.db2.gz	RNZFQJGQLRLINK-NVXWUHKLSA-N	1	0	357.458	1.226	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)C(C)(F)F)C2	ZINC001112531339	807003226	/nfs/dbraw/zinc/00/32/26/807003226.db2.gz	RNKPEKRSGUTCLQ-GLJUWKHASA-N	1	0	357.445	1.798	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CCN(C)C2=O)C1	ZINC001087430585	807062408	/nfs/dbraw/zinc/06/24/08/807062408.db2.gz	XCFDEQOSLFCXDI-VAMGGRTRSA-N	1	0	367.493	1.852	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1	ZINC000423467554	815091171	/nfs/dbraw/zinc/09/11/71/815091171.db2.gz	XRDSMYHIWVQTHN-SJORKVTESA-N	1	0	359.470	1.685	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2COCCN2CC)C1	ZINC001087431528	807198600	/nfs/dbraw/zinc/19/86/00/807198600.db2.gz	UFIIBOZEONPYAW-NJDAHSKKSA-N	1	0	369.509	1.705	20	30		FDEDRO
C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1	ZINC000423533064	815105504	/nfs/dbraw/zinc/10/55/04/815105504.db2.gz	WOACXADLYWLPJY-SQGPQFPESA-N	1	0	354.454	1.482	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3ccon3)C2)CC1	ZINC000980982362	807373050	/nfs/dbraw/zinc/37/30/50/807373050.db2.gz	DPWBUPZMKZGMJT-GOEBONIOSA-N	1	0	358.442	1.035	20	30		FDEDRO
C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)CC1	ZINC000423558053	815115607	/nfs/dbraw/zinc/11/56/07/815115607.db2.gz	MINPIXWMRXAJHJ-KSSFIOAISA-N	1	0	370.453	1.044	20	30		FDEDRO
CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1	ZINC000423563544	815120952	/nfs/dbraw/zinc/12/09/52/815120952.db2.gz	ROXCIOYJBRFHKZ-ZWKOTPCHSA-N	1	0	372.469	1.290	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C2CC2)cc1	ZINC000423569578	815140019	/nfs/dbraw/zinc/14/00/19/815140019.db2.gz	NARMTRHGVRHXLU-FQEVSTJZSA-N	1	0	352.438	1.261	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCCN(CC#Cc2ccc(F)cc2)CC1	ZINC000981365288	807958565	/nfs/dbraw/zinc/95/85/65/807958565.db2.gz	MRAJUWUTYADMMK-LPHOPBHVSA-N	1	0	360.429	1.515	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)C3(C)CCC3)C2)CC1	ZINC000981544011	808113854	/nfs/dbraw/zinc/11/38/54/808113854.db2.gz	AGAWBCUCNZBZHC-FUHWJXTLSA-N	1	0	359.514	1.923	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3cnco3)C2)CC1	ZINC000981544921	808116100	/nfs/dbraw/zinc/11/61/00/808116100.db2.gz	WYIGHPOGZDUGPL-GOEBONIOSA-N	1	0	358.442	1.035	20	30		FDEDRO
CN(CCOCc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1	ZINC000423688470	815206903	/nfs/dbraw/zinc/20/69/03/815206903.db2.gz	XJPPQYMDEBDHAF-QGZVFWFLSA-N	1	0	372.469	1.121	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)cc1	ZINC000981764943	808451402	/nfs/dbraw/zinc/45/14/02/808451402.db2.gz	KZZAAQQKNDPLAW-IAGOWNOFSA-N	1	0	354.410	1.648	20	30		FDEDRO
C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C2)C1	ZINC000981842558	808613821	/nfs/dbraw/zinc/61/38/21/808613821.db2.gz	DXDZLHUXXUXUHD-KGLIPLIRSA-N	1	0	362.392	1.833	20	30		FDEDRO
C#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC(=O)N2C(C)C)C1	ZINC001087435371	808782345	/nfs/dbraw/zinc/78/23/45/808782345.db2.gz	MEAWYOUMURGRRB-AQNXPRMDSA-N	1	0	367.493	1.993	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1	ZINC001087435790	808818200	/nfs/dbraw/zinc/81/82/00/808818200.db2.gz	HAYVVOLHDURJKY-SJLPKXTDSA-N	1	0	352.438	1.934	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2nocc2C)C[C@H]1c1ccccc1	ZINC001211702864	808848422	/nfs/dbraw/zinc/84/84/22/808848422.db2.gz	IMSQMOMCCMGSER-ZWKOTPCHSA-N	1	0	353.422	1.831	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CC)C[C@H]1c1ccccc1	ZINC001211702967	808889070	/nfs/dbraw/zinc/88/90/70/808889070.db2.gz	NGZMWBWMOCBEPO-SLFFLAALSA-N	1	0	367.493	1.995	20	30		FDEDRO
O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCC#Cc2cccc(F)c2)CC1	ZINC000512201225	809020287	/nfs/dbraw/zinc/02/02/87/809020287.db2.gz	FZYOEKKOJNWHQS-UHFFFAOYSA-N	1	0	372.444	1.127	20	30		FDEDRO
COc1ccc(CN2C[C@@H]3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)[C@@H]3C2)cc1C#N	ZINC001075613340	809053659	/nfs/dbraw/zinc/05/36/59/809053659.db2.gz	AEPOTZXOQKXSEQ-YTQUADARSA-N	1	0	368.481	1.694	20	30		FDEDRO
C#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccc3nncn3c2)C1	ZINC001087439104	809074373	/nfs/dbraw/zinc/07/43/73/809074373.db2.gz	FKEQRSQSNBGVBY-RTBURBONSA-N	1	0	359.433	1.950	20	30		FDEDRO
C[C@@H](C[NH3+])NC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N	ZINC000418622850	809083865	/nfs/dbraw/zinc/08/38/65/809083865.db2.gz	VGNIQLGGEYNEIY-NSHDSACASA-N	1	0	359.409	1.044	20	30		FDEDRO
N#C[C@H]1CN(C(=O)NCCC[C@H]2CCC[NH2+]2)CCN1Cc1ccccc1	ZINC000418750344	809183556	/nfs/dbraw/zinc/18/35/56/809183556.db2.gz	NYOVUDFRWBZLEK-MOPGFXCFSA-N	1	0	355.486	1.938	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CCC(C[NH2+]CC)CC1	ZINC000418941764	809331747	/nfs/dbraw/zinc/33/17/47/809331747.db2.gz	WEYBBBKABCOMKK-UHFFFAOYSA-N	1	0	359.470	1.716	20	30		FDEDRO
NC(=O)C[NH2+][C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1c1ccccc1	ZINC001211725950	809386242	/nfs/dbraw/zinc/38/62/42/809386242.db2.gz	BISAEWJPNOWXGF-VQTJNVASSA-N	1	0	361.445	1.498	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)C[C@H]1c1ccccc1	ZINC001211726129	809391994	/nfs/dbraw/zinc/39/19/94/809391994.db2.gz	LYLMPBRJJJMCSS-KSZLIROESA-N	1	0	360.479	1.171	20	30		FDEDRO
N#Cc1ccccc1OC1CCC(NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1	ZINC000419028998	809428742	/nfs/dbraw/zinc/42/87/42/809428742.db2.gz	FJIMMGKPTPZAME-JCYILVPMSA-N	1	0	370.453	1.218	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C	ZINC000419051084	809485308	/nfs/dbraw/zinc/48/53/08/809485308.db2.gz	APGGKJMVRSXUPY-OIISXLGYSA-N	1	0	359.470	1.519	20	30		FDEDRO
C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000419110762	809583798	/nfs/dbraw/zinc/58/37/98/809583798.db2.gz	ILVZKLBABCHMGF-DOMZBBRYSA-N	1	0	367.371	1.287	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NCC1C[NH2+]C1)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000419203720	809704853	/nfs/dbraw/zinc/70/48/53/809704853.db2.gz	HAPYRJYBKZFFFZ-CQSZACIVSA-N	1	0	362.433	1.738	20	30		FDEDRO
COc1ccc(CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cc1C#N	ZINC000893778681	809714827	/nfs/dbraw/zinc/71/48/27/809714827.db2.gz	NHAQOUJTLGXPHS-IRXDYDNUSA-N	1	0	358.442	1.307	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1	ZINC000937385670	815318726	/nfs/dbraw/zinc/31/87/26/815318726.db2.gz	UISAXLYCTDLBFP-KURKYZTESA-N	1	0	363.502	1.369	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1CCOC[C@H]1c1noc(-c2ccccc2)n1	ZINC000424186957	815324212	/nfs/dbraw/zinc/32/42/12/815324212.db2.gz	IIYWBWRJBKSHLP-GJZGRUSLSA-N	1	0	355.398	1.658	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1	ZINC000983254340	815336213	/nfs/dbraw/zinc/33/62/13/815336213.db2.gz	YYGYOEMFAABNCD-YSVLISHTSA-N	1	0	369.425	1.087	20	30		FDEDRO
C=CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2COCCN2C)C1	ZINC001087454123	810042414	/nfs/dbraw/zinc/04/24/14/810042414.db2.gz	CVTUTUVMLRWANE-GUDVDZBRSA-N	1	0	361.461	1.616	20	30		FDEDRO
C#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cc2ccnn2C)C1	ZINC001087454707	810050205	/nfs/dbraw/zinc/05/02/05/810050205.db2.gz	DUSJBDBLDXEFEL-RTBURBONSA-N	1	0	354.429	1.709	20	30		FDEDRO
O=C(NCC#C[C@H]1CCCCO1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1	ZINC000894111003	810097174	/nfs/dbraw/zinc/09/71/74/810097174.db2.gz	WNYAXDSLPOKGSJ-WOJBJXKFSA-N	1	0	371.481	1.625	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C	ZINC000509786234	810179386	/nfs/dbraw/zinc/17/93/86/810179386.db2.gz	AOLJZUZHVXPSLM-CJNGLKHVSA-N	1	0	356.426	1.591	20	30		FDEDRO
C[NH+]=C(NC[C@H](C)c1c(C)noc1C)N1CCN(C[C@H]2CCOC2)CC1	ZINC000261713999	810187019	/nfs/dbraw/zinc/18/70/19/810187019.db2.gz	KFNNYZVHTHONAR-WMLDXEAASA-N	1	0	363.506	1.624	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCO)CC[C@@H]2c2cccc(F)c2)c1	ZINC001087458176	810250711	/nfs/dbraw/zinc/25/07/11/810250711.db2.gz	NJWGBIGCKXESOX-WOJBJXKFSA-N	1	0	367.424	1.782	20	30		FDEDRO
CNC(=O)CC1CCN(C(NCc2ccn(C3CCCC3)n2)=[NH+]C)CC1	ZINC000261719551	810300891	/nfs/dbraw/zinc/30/08/91/810300891.db2.gz	IFHBRMJGFIQFDB-UHFFFAOYSA-N	1	0	360.506	1.922	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@@H]3CCCC[C@H]3[NH3+])C2=O)cc1	ZINC000424467501	815365559	/nfs/dbraw/zinc/36/55/59/815365559.db2.gz	WFRIJKBKNHABFQ-BRWVUGGUSA-N	1	0	355.442	1.623	20	30		FDEDRO
C=CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1	ZINC001087459666	810510690	/nfs/dbraw/zinc/51/06/90/810510690.db2.gz	QMBHSULZNIORCI-FGTMMUONSA-N	1	0	359.445	1.955	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@]2(C)C[N@@H+](C[C@H](C)O)C[C@]2(C)C1	ZINC000982630684	810628161	/nfs/dbraw/zinc/62/81/61/810628161.db2.gz	OWPYUTJDFTYOBY-VDWQKOAOSA-N	1	0	350.503	1.909	20	30		FDEDRO
CC[NH+](CC)CCOCCNC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1	ZINC000894163651	810635757	/nfs/dbraw/zinc/63/57/57/810635757.db2.gz	CXJLZCIZXTWZLE-IBGZPJMESA-N	1	0	374.485	2.000	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@]2(C)C[N@@H+](CC(=O)N(C)C)C[C@]2(C)C1	ZINC000982640059	810676498	/nfs/dbraw/zinc/67/64/98/810676498.db2.gz	FJFNCBCGYAJXMU-LWCVALJOSA-N	1	0	363.502	1.226	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(C)cc2OCC(=O)N(C)C)CC1	ZINC000067232874	810685921	/nfs/dbraw/zinc/68/59/21/810685921.db2.gz	XOQSTWIQBBQXST-UHFFFAOYSA-N	1	0	357.454	1.746	20	30		FDEDRO
C[NH+](C)Cc1ccc(NC(=O)Cn2cnc(C#N)n2)cc1C(F)(F)F	ZINC000924894348	810939909	/nfs/dbraw/zinc/93/99/09/810939909.db2.gz	WXDJQTIBINCIIH-UHFFFAOYSA-N	1	0	352.320	1.869	20	30		FDEDRO
C#CCN(C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1	ZINC000729335023	811152455	/nfs/dbraw/zinc/15/24/55/811152455.db2.gz	GMMJKWAENHVSQY-OALUTQOASA-N	1	0	374.506	1.548	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000982811770	811257636	/nfs/dbraw/zinc/25/76/36/811257636.db2.gz	KIRMXZVOGOIAMY-AYOQOUSVSA-N	1	0	357.498	1.342	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1	ZINC000982815639	811268303	/nfs/dbraw/zinc/26/83/03/811268303.db2.gz	AEAJGEZKINZCNI-ZACQAIPSSA-N	1	0	361.486	1.028	20	30		FDEDRO
CNC(=O)CC1CCN(C(NCc2cn3ccc(C)cc3n2)=[NH+]C)CC1	ZINC000261679910	811296797	/nfs/dbraw/zinc/29/67/97/811296797.db2.gz	CZZMEYCFFCQAFU-UHFFFAOYSA-N	1	0	356.474	1.566	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCOc2ccccc21)N1CCO[C@H](c2cnn(C)c2)C1	ZINC000261783812	811319409	/nfs/dbraw/zinc/31/94/09/811319409.db2.gz	POWIEUMABMTSRA-BEFAXECRSA-N	1	0	369.469	1.935	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1	ZINC000433632253	811325877	/nfs/dbraw/zinc/32/58/77/811325877.db2.gz	BCOLTNNCXNQXOW-CQSZACIVSA-N	1	0	358.442	1.422	20	30		FDEDRO
C[NH+]=C(NC[C@@]1(O)CCc2ccccc21)N1CCN(C[C@H]2CCOC2)CC1	ZINC000261860926	811333694	/nfs/dbraw/zinc/33/36/94/811333694.db2.gz	YLRYJELLFNPXHT-UTKZUKDTSA-N	1	0	372.513	1.050	20	30		FDEDRO
C[NH+]=C(NCC1(N(C)C)Cc2ccccc2C1)N1CCO[C@@H](COC)C1	ZINC000261951899	811351614	/nfs/dbraw/zinc/35/16/14/811351614.db2.gz	OBJBVUIYQVZQLD-GOSISDBHSA-N	1	0	360.502	1.008	20	30		FDEDRO
Cc1ccc2nc(CNC(=[NH2+])N3CCN(c4ncccn4)CC3)cn2c1	ZINC000262024862	811369508	/nfs/dbraw/zinc/36/95/08/811369508.db2.gz	ZCFFBJKWIZGSOF-UHFFFAOYSA-N	1	0	350.430	1.070	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cc2nnc(C)[nH]2)C1	ZINC001087465065	811413764	/nfs/dbraw/zinc/41/37/64/811413764.db2.gz	UASKMSDUSXCKSM-QZTJIDSGSA-N	1	0	369.444	1.792	20	30		FDEDRO
CC1CCC2(CC1)OC[C@H](CNC(=[NH2+])N1CCN(c3ncccn3)CC1)O2	ZINC000262230782	811419410	/nfs/dbraw/zinc/41/94/10/811419410.db2.gz	WRZVMDCMNCUHPT-WUJZJPHMSA-N	1	0	374.489	1.235	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[C@@H]2CCNC2=O)C1	ZINC001087465237	811488483	/nfs/dbraw/zinc/48/84/83/811488483.db2.gz	CKADLKMMNXMZMF-QXAKKESOSA-N	1	0	371.456	1.649	20	30		FDEDRO
C[NH+]=C(NCc1nnc(C)n1C)N1CCC(OC[C@H]2CCCCO2)CC1	ZINC000261798788	811652305	/nfs/dbraw/zinc/65/23/05/811652305.db2.gz	RMYIWTICAPFCDZ-MRXNPFEDSA-N	1	0	364.494	1.249	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)O1	ZINC001028628671	811654774	/nfs/dbraw/zinc/65/47/74/811654774.db2.gz	XPGIJSXTEQFQNQ-JKIFEVAISA-N	1	0	362.499	1.277	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc(N2CCC2=O)c1	ZINC000280499079	811837703	/nfs/dbraw/zinc/83/77/03/811837703.db2.gz	PIAMZGJDIVIGPE-UHFFFAOYSA-N	1	0	371.441	1.056	20	30		FDEDRO
CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1	ZINC000419611137	812057007	/nfs/dbraw/zinc/05/70/07/812057007.db2.gz	BGLUWNZVZUPDRM-LJQANCHMSA-N	1	0	364.449	1.941	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1	ZINC000419891842	812277628	/nfs/dbraw/zinc/27/76/28/812277628.db2.gz	NRVQCEVGEWOGHD-MAUKXSAKSA-N	1	0	356.470	1.800	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4ccc(C)o4)[C@@H]3C2)C1=O	ZINC001075702731	815556944	/nfs/dbraw/zinc/55/69/44/815556944.db2.gz	YBMVRPIRZZIPTC-CGTJXYLNSA-N	1	0	357.454	1.450	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)N[C@@H]3CCC[C@H]3C[NH3+])CC2)cc1	ZINC000420029859	813402822	/nfs/dbraw/zinc/40/28/22/813402822.db2.gz	DKEZIKUXDUITTC-ZWKOTPCHSA-N	1	0	352.438	1.418	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C2CC2)cc1	ZINC000420016010	813408695	/nfs/dbraw/zinc/40/86/95/813408695.db2.gz	MHURUHIBFJTFGM-FUHWJXTLSA-N	1	0	354.454	1.683	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)CC2)cc1	ZINC000420075311	813439180	/nfs/dbraw/zinc/43/91/80/813439180.db2.gz	SAXYBBXIADLOGD-IBGZPJMESA-N	1	0	366.465	1.808	20	30		FDEDRO
CCC([NH3+])(CC)CNC(=O)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1	ZINC000420086875	813447572	/nfs/dbraw/zinc/44/75/72/813447572.db2.gz	ZPQJZCQUXGCVRK-UHFFFAOYSA-N	1	0	354.454	1.808	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)NCC1=CC[NH2+]CC1	ZINC000420134512	813472216	/nfs/dbraw/zinc/47/22/16/813472216.db2.gz	FJDRIKLUTNNVAV-QZTJIDSGSA-N	1	0	352.438	1.321	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C	ZINC000420151130	813511867	/nfs/dbraw/zinc/51/18/67/813511867.db2.gz	XYMDENOLMKGJAS-CZUORRHYSA-N	1	0	360.414	1.224	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NCCC1=CC[NH2+]CC1	ZINC000420179491	813517527	/nfs/dbraw/zinc/51/75/27/813517527.db2.gz	APUADAVERNTVQW-UHFFFAOYSA-N	1	0	357.454	1.636	20	30		FDEDRO
C=CCn1c(C)cc(C(=O)CN2CCCC[C@H]2CNC(=O)CC[NH3+])c1C	ZINC000420316415	813605399	/nfs/dbraw/zinc/60/53/99/813605399.db2.gz	SQNHKHSFCWGMHF-KRWDZBQOSA-N	1	0	360.502	1.793	20	30		FDEDRO
COc1cccc([C@@H](CNC(=O)C(=O)NCC(C)(C)CC#N)[NH+](C)C)c1	ZINC000420849029	813834243	/nfs/dbraw/zinc/83/42/43/813834243.db2.gz	SPNTZLSJZQWYEZ-MRXNPFEDSA-N	1	0	360.458	1.470	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1	ZINC000420959195	813885592	/nfs/dbraw/zinc/88/55/92/813885592.db2.gz	DMLFASOJSUUZAG-RRFJBIMHSA-N	1	0	372.387	1.750	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1COCCO1)N1CCN(c2cc(F)ccc2F)CC1	ZINC000261841085	814189917	/nfs/dbraw/zinc/18/99/17/814189917.db2.gz	WIPOYYYGKCOYQK-OAHLLOKOSA-N	1	0	368.428	1.468	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@H]2C(=O)NC)c(OC)c1	ZINC000502835543	814286611	/nfs/dbraw/zinc/28/66/11/814286611.db2.gz	CEIFCRCWKCFFGP-BRWVUGGUSA-N	1	0	362.470	1.668	20	30		FDEDRO
COC[C@@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000272049897	814557021	/nfs/dbraw/zinc/55/70/21/814557021.db2.gz	ZGXMBABQSPHOOM-VQIMIIECSA-N	1	0	374.460	1.503	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1ccccc1N1CCCCC1	ZINC000272125931	814578233	/nfs/dbraw/zinc/57/82/33/814578233.db2.gz	UUFOVADVTYTNDL-UHFFFAOYSA-N	1	0	359.518	1.804	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)[C@H]2C1	ZINC000272311109	814644156	/nfs/dbraw/zinc/64/41/56/814644156.db2.gz	IUMMWJRIYQITIC-PBHICJAKSA-N	1	0	354.454	1.979	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N	ZINC000272463757	814714676	/nfs/dbraw/zinc/71/46/76/814714676.db2.gz	CUQJQRWILYJIHY-CQSZACIVSA-N	1	0	362.430	1.000	20	30		FDEDRO
CCOCCC[NH+]=C(NCc1ccc(OC)cc1)NC[C@@H](COC)OC	ZINC000272655714	814771232	/nfs/dbraw/zinc/77/12/32/814771232.db2.gz	RCUBLVRTABUWKS-SFHVURJKSA-N	1	0	367.490	1.818	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc3nccn32)C[C@H]1C(F)(F)F	ZINC001112130278	814800695	/nfs/dbraw/zinc/80/06/95/814800695.db2.gz	KQTKKMKIBJCYRA-CHWSQXEVSA-N	1	0	350.344	1.950	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)[C@H](OCC)C1	ZINC000983133624	814801041	/nfs/dbraw/zinc/80/10/41/814801041.db2.gz	WOVFEUZCJRVTHK-BRWVUGGUSA-N	1	0	365.518	1.663	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NCC(C)(C)CC#N	ZINC000422487434	814824739	/nfs/dbraw/zinc/82/47/39/814824739.db2.gz	JZDISBRCRQMWQM-UHFFFAOYSA-N	1	0	362.449	1.772	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4csnc4C)[C@@H]3C2)C1=O	ZINC001075708600	815735882	/nfs/dbraw/zinc/73/58/82/815735882.db2.gz	JAOGYUQSAGSMAY-CWRNSKLLSA-N	1	0	360.483	1.385	20	30		FDEDRO
C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C	ZINC000434825479	815798627	/nfs/dbraw/zinc/79/86/27/815798627.db2.gz	BWYWTXKLLHEOMB-CJNGLKHVSA-N	1	0	361.442	1.311	20	30		FDEDRO
C=CCN(C(=O)C[C@H]1CSCC[NH2+]1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000434874400	815820230	/nfs/dbraw/zinc/82/02/30/815820230.db2.gz	BKLCVPSHHQPFHH-ZBFHGGJFSA-N	1	0	372.498	1.833	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@H]1CCN(C(=O)c2ccccc2)C1	ZINC000514800006	815989437	/nfs/dbraw/zinc/98/94/37/815989437.db2.gz	ABBUPLDPGYGHGQ-OAHLLOKOSA-N	1	0	366.469	1.890	20	30		FDEDRO
C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000514939804	816042161	/nfs/dbraw/zinc/04/21/61/816042161.db2.gz	QGILBKKUSRCETF-KBPBESRZSA-N	1	0	358.442	1.170	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1	ZINC000425403502	816146678	/nfs/dbraw/zinc/14/66/78/816146678.db2.gz	JYYPXTQOJHDTQU-ROUUACIJSA-N	1	0	373.501	1.614	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(OC)c(OCC(N)=O)c(OC)c1	ZINC000435748596	816163320	/nfs/dbraw/zinc/16/33/20/816163320.db2.gz	GCEXHGPLPIHXCC-KDOFPFPSSA-N	1	0	364.442	1.639	20	30		FDEDRO
COCC(C)(C)[NH+]1CCN(CC(=O)N(CCC#N)c2ccccc2)CC1	ZINC000425519763	816438980	/nfs/dbraw/zinc/43/89/80/816438980.db2.gz	XJEPZAFFGZHVCV-UHFFFAOYSA-N	1	0	358.486	1.976	20	30		FDEDRO
CN(C(=O)C(=O)NCCCCC#N)C1CC[NH+](Cc2ccccc2)CC1	ZINC000286357036	816467977	/nfs/dbraw/zinc/46/79/77/816467977.db2.gz	CCEUPAFLZWIPGG-UHFFFAOYSA-N	1	0	356.470	1.919	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCNC(=O)CC2)C[C@H]1C(F)(F)F	ZINC001112137212	816479250	/nfs/dbraw/zinc/47/92/50/816479250.db2.gz	YJPIIJRKGPZIOO-MGPQQGTHSA-N	1	0	361.408	1.848	20	30		FDEDRO
C=CCn1cc(CNC(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nn1	ZINC000425569781	816549756	/nfs/dbraw/zinc/54/97/56/816549756.db2.gz	ZWKAONFTZQEDEM-NVXWUHKLSA-N	1	0	354.458	1.926	20	30		FDEDRO
COC(=O)c1ccc(NCc2ccncc2OCC[NH+](C)C)c(C#N)n1	ZINC000516193375	816686128	/nfs/dbraw/zinc/68/61/28/816686128.db2.gz	LATOZXJAPGGXPA-UHFFFAOYSA-N	1	0	355.398	1.687	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)/C=C\c4ccc[nH]4)[C@@H]3C2)C1=O	ZINC001075731075	816753523	/nfs/dbraw/zinc/75/35/23/816753523.db2.gz	UMNUCJDIGHTXMV-LKDNYYOESA-N	1	0	354.454	1.348	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1	ZINC000516915056	817101681	/nfs/dbraw/zinc/10/16/81/817101681.db2.gz	LHYLIXORFZNRDB-UHFFFAOYSA-N	1	0	357.458	1.655	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(C#N)n2)C[N@@H+]1Cc1ccccc1	ZINC000516969410	817136684	/nfs/dbraw/zinc/13/66/84/817136684.db2.gz	CUUXXTKQJOCSHG-WMLDXEAASA-N	1	0	363.421	1.671	20	30		FDEDRO
CN1CCO[C@@H](CSCC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000517029277	817176400	/nfs/dbraw/zinc/17/64/00/817176400.db2.gz	FGIXYTCPLBDEDT-MRXNPFEDSA-N	1	0	371.466	1.746	20	30		FDEDRO
CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[C@H](C#N)C1	ZINC000425853676	817230426	/nfs/dbraw/zinc/23/04/26/817230426.db2.gz	WKZSEQCEJOEQJL-NSHGMRRFSA-N	1	0	356.470	1.957	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000425860773	817237307	/nfs/dbraw/zinc/23/73/07/817237307.db2.gz	URHAUNUMWHFSAT-YRPNKDGESA-N	1	0	373.497	1.760	20	30		FDEDRO
C=CCn1cc(CNC(=O)N(CC[NH+](C)C)Cc2cccc(OC)c2)nn1	ZINC000425867711	817251362	/nfs/dbraw/zinc/25/13/62/817251362.db2.gz	CXNOINCXWGFOIU-UHFFFAOYSA-N	1	0	372.473	1.746	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCN(C)C(=O)C2)c(OC)c1	ZINC000517733163	817553973	/nfs/dbraw/zinc/55/39/73/817553973.db2.gz	VARYQOVMDUVZQJ-SJORKVTESA-N	1	0	362.470	1.621	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1	ZINC000517758682	817566129	/nfs/dbraw/zinc/56/61/29/817566129.db2.gz	BOYAMVKRQOMUGI-AWEZNQCLSA-N	1	0	358.442	1.742	20	30		FDEDRO
Cn1nccc1N1CCC[C@@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000518170843	817765949	/nfs/dbraw/zinc/76/59/49/817765949.db2.gz	HTXYHRCUMPGQHB-MRXNPFEDSA-N	1	0	373.482	1.324	20	30		FDEDRO
C[NH+](C)CC1(NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CCC1	ZINC000439367921	817943650	/nfs/dbraw/zinc/94/36/50/817943650.db2.gz	HAZLNBIVSOHDRS-UHFFFAOYSA-N	1	0	356.405	2.489	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1	ZINC000439599381	818009129	/nfs/dbraw/zinc/00/91/29/818009129.db2.gz	USRBVVFFVGOMDH-QGZVFWFLSA-N	1	0	370.453	1.236	20	30		FDEDRO
CN(C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H]1CCC[N@H+](C)C1	ZINC000894424359	818039204	/nfs/dbraw/zinc/03/92/04/818039204.db2.gz	YVVMEDFSJCLAIF-ZWKOTPCHSA-N	1	0	369.469	1.395	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)Cn2nccn2)C1	ZINC001087474738	818280844	/nfs/dbraw/zinc/28/08/44/818280844.db2.gz	WSDJFBAAKPLFHD-OALUTQOASA-N	1	0	369.469	1.837	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CCC(=O)NC2)C1	ZINC001087475212	818305085	/nfs/dbraw/zinc/30/50/85/818305085.db2.gz	XIDCUGGDTRLKEJ-WDSOQIARSA-N	1	0	371.481	1.682	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2cnn(C)n2)C1	ZINC001087476078	818344994	/nfs/dbraw/zinc/34/49/94/818344994.db2.gz	RQEODIAFEZNYIC-HKUYNNGSSA-N	1	0	367.453	1.435	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1	ZINC000983729893	818845787	/nfs/dbraw/zinc/84/57/87/818845787.db2.gz	XTJMWMDNMYSXSF-COXVUDFISA-N	1	0	357.458	1.337	20	30		FDEDRO
N#Cc1ccc(CNC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)cc1F	ZINC000519813046	819070939	/nfs/dbraw/zinc/07/09/39/819070939.db2.gz	FKVZXKOUKOSMEO-UHFFFAOYSA-N	1	0	359.449	1.713	20	30		FDEDRO
COc1cc(CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)ccc1C#N	ZINC000894947689	819380487	/nfs/dbraw/zinc/38/04/87/819380487.db2.gz	GYAREEPWJQDYNT-SJORKVTESA-N	1	0	358.442	1.307	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]CCCS(=O)(=O)CC	ZINC001167991157	819409789	/nfs/dbraw/zinc/40/97/89/819409789.db2.gz	JHHNOBUYVFRDPS-HOTGVXAUSA-N	1	0	360.520	1.278	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N[C@@H](C)CCC	ZINC001167991672	819410443	/nfs/dbraw/zinc/41/04/43/819410443.db2.gz	NUKFKDQEIWRWCZ-BQFCYCMXSA-N	1	0	353.507	1.758	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N[C@H](C)CCC	ZINC001167991673	819410698	/nfs/dbraw/zinc/41/06/98/819410698.db2.gz	NUKFKDQEIWRWCZ-RYRKJORJSA-N	1	0	353.507	1.758	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@H]3CCCn4cc(C)nc43)C2)CC1	ZINC000328662703	819525135	/nfs/dbraw/zinc/52/51/35/819525135.db2.gz	XMOPZOZVCYGTCN-QZTJIDSGSA-N	1	0	374.533	1.695	20	30		FDEDRO
Cc1cc(=O)n(C)cc1NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000328600623	819529408	/nfs/dbraw/zinc/52/94/08/819529408.db2.gz	DCNRALACHOWQMK-UHFFFAOYSA-N	1	0	361.490	1.578	20	30		FDEDRO
O=C(NC[C@@H]1CCCn2ccnc21)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000328738564	819541605	/nfs/dbraw/zinc/54/16/05/819541605.db2.gz	MEUSWOPJQUBXFM-SJORKVTESA-N	1	0	361.490	1.719	20	30		FDEDRO
CC(C)(C)n1ncnc1CNC(=O)N1CC[NH+](CC2CCOCC2)CC1	ZINC000328821586	819553844	/nfs/dbraw/zinc/55/38/44/819553844.db2.gz	REGQEGVHDUNOOM-UHFFFAOYSA-N	1	0	364.494	1.491	20	30		FDEDRO
C[C@H](CNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C)C[NH+]1CCN(C)CC1	ZINC000328968263	819602188	/nfs/dbraw/zinc/60/21/88/819602188.db2.gz	NSLUDSXDGOYPHQ-JFIYKMOQSA-N	1	0	363.506	1.728	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1	ZINC000328985546	819605148	/nfs/dbraw/zinc/60/51/48/819605148.db2.gz	TZBAZVPMUHGWBT-CVEARBPZSA-N	1	0	374.489	1.592	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C(F)(F)F	ZINC001112154223	819720076	/nfs/dbraw/zinc/72/00/76/819720076.db2.gz	ATCPWAXJAVMSOO-FRRDWIJNSA-N	1	0	364.412	1.617	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)c2cc[nH]c2)CC1	ZINC000983855521	819782983	/nfs/dbraw/zinc/78/29/83/819782983.db2.gz	XQXSNTVNOFLJFF-APWZRJJASA-N	1	0	370.497	1.717	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)[C@@H](CC)[NH+](C)C)nc1	ZINC000983882422	819917307	/nfs/dbraw/zinc/91/73/07/819917307.db2.gz	LZXNJLKYUVPTQH-HHXXYDBFSA-N	1	0	370.497	1.760	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)CNc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)cc1	ZINC000520570011	820097669	/nfs/dbraw/zinc/09/76/69/820097669.db2.gz	GNBQIQIXUFEGKL-WOJBJXKFSA-N	1	0	367.449	1.977	20	30		FDEDRO
COc1ccccc1CCC[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1	ZINC001083413930	820146030	/nfs/dbraw/zinc/14/60/30/820146030.db2.gz	DHNIBGRYCCYKRQ-MSOLQXFVSA-N	1	0	368.437	1.303	20	30		FDEDRO
N#Cc1ccc(C[C@H](C#N)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1	ZINC000280836810	820296834	/nfs/dbraw/zinc/29/68/34/820296834.db2.gz	OTZDFARJUDDLQX-HXUWFJFHSA-N	1	0	366.465	1.811	20	30		FDEDRO
C=CCn1cc(CNC(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)nn1	ZINC000665182147	820543439	/nfs/dbraw/zinc/54/34/39/820543439.db2.gz	GESNWLQNDDBQNA-LJQANCHMSA-N	1	0	368.485	1.923	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)c2c[nH]c(C#N)c2)C1	ZINC000984078064	820734374	/nfs/dbraw/zinc/73/43/74/820734374.db2.gz	YEJGGYBQXRSMNR-VKJFTORMSA-N	1	0	371.485	1.585	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC000984080549	820739937	/nfs/dbraw/zinc/73/99/37/820739937.db2.gz	FUSYFPPHJWPAKX-INMHGKMJSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc[nH]c(=O)c3)[C@H]2CC)C1=O	ZINC001087539241	821046524	/nfs/dbraw/zinc/04/65/24/821046524.db2.gz	IUTHLGLUWHAKNK-XHSDSOJGSA-N	1	0	358.442	1.157	20	30		FDEDRO
CCc1cc(C#N)ccc1OCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1	ZINC000442112595	821055223	/nfs/dbraw/zinc/05/52/23/821055223.db2.gz	VMNWLRJCDNWTMT-GOSISDBHSA-N	1	0	359.470	1.972	20	30		FDEDRO
CCc1n[nH]c(=O)c(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)c1CC	ZINC000521031071	821056084	/nfs/dbraw/zinc/05/60/84/821056084.db2.gz	OXCMDUFKYMXYIU-UHFFFAOYSA-N	1	0	374.466	1.742	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H](C[NH2+][C@@H]1CCCN(O)C1=O)CC(F)(F)F	ZINC000895159350	821204463	/nfs/dbraw/zinc/20/44/63/821204463.db2.gz	UGCLEFLEDZNFSP-NXEZZACHSA-N	1	0	355.357	1.802	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H](C[NH2+][C@H]1CCCN(O)C1=O)CC(F)(F)F	ZINC000895159353	821204594	/nfs/dbraw/zinc/20/45/94/821204594.db2.gz	UGCLEFLEDZNFSP-ZJUUUORDSA-N	1	0	355.357	1.802	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1CCCc1nc(C)no1	ZINC001087545314	821246301	/nfs/dbraw/zinc/24/63/01/821246301.db2.gz	CMEGCMXHBRHGJF-GOEBONIOSA-N	1	0	356.430	1.793	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C[C@@H]1CCNC(=O)CC1	ZINC001087545521	821247449	/nfs/dbraw/zinc/24/74/49/821247449.db2.gz	ONWHSSVRXFGUFU-JLJPHGGASA-N	1	0	357.458	1.385	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)CN2CN=NC2=O)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087549066	821320321	/nfs/dbraw/zinc/32/03/21/821320321.db2.gz	CXCQMUNFDUFMSV-JKSUJKDBSA-N	1	0	354.414	1.025	20	30		FDEDRO
Cn1cc(C[NH2+][C@H]2CCCN(O)C2=O)c(-c2ccc3c(c2)OCCCO3)n1	ZINC000895167211	821323643	/nfs/dbraw/zinc/32/36/43/821323643.db2.gz	XFINAPKQEVALCQ-HNNXBMFYSA-N	1	0	372.425	1.718	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCCN(CCOC)c2ccncc2C#N)CC[N@@H+]1C	ZINC001126537989	821401873	/nfs/dbraw/zinc/40/18/73/821401873.db2.gz	LUXYGFARLKIDPH-DLBZAZTESA-N	1	0	359.474	1.253	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CCN1Cc1cc(C#N)ccc1F	ZINC001087560840	821482507	/nfs/dbraw/zinc/48/25/07/821482507.db2.gz	QIAFGHHZMYIYMS-HRCADAONSA-N	1	0	360.389	1.275	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CC[N@@H+]1Cc1ccc(C#N)c(F)c1	ZINC001087559831	821487486	/nfs/dbraw/zinc/48/74/86/821487486.db2.gz	CYYIURDMSYYEKN-ARFHVFGLSA-N	1	0	360.389	1.275	20	30		FDEDRO
C[C@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)[C@@H]1CCS(=O)(=O)C1	ZINC000895186839	821582424	/nfs/dbraw/zinc/58/24/24/821582424.db2.gz	CMEITBQXVMFGDS-MAUKXSAKSA-N	1	0	361.511	1.935	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCC(=O)NC2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087696228	822086968	/nfs/dbraw/zinc/08/69/68/822086968.db2.gz	MWGUGWLCNGWHCP-UEXGIBASSA-N	1	0	368.481	1.944	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2C)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087698299	822098706	/nfs/dbraw/zinc/09/87/06/822098706.db2.gz	QUVWFFIDACOJHM-ARFHVFGLSA-N	1	0	360.483	1.710	20	30		FDEDRO
C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CC(F)(F)C(F)F)C[C@H]1C(F)(F)F	ZINC001112167007	822145581	/nfs/dbraw/zinc/14/55/81/822145581.db2.gz	CUCFZBKZAMDZNK-XLPZGREQSA-N	1	0	354.266	1.637	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087729547	822261504	/nfs/dbraw/zinc/26/15/04/822261504.db2.gz	IRVUTSZKLBNBFT-YDZRNGNQSA-N	1	0	368.481	1.929	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3[nH]c(C)nc3C)[C@H]2CC)C1=O	ZINC001087730017	822264586	/nfs/dbraw/zinc/26/45/86/822264586.db2.gz	KHHOLPNRNJJHDQ-XHSDSOJGSA-N	1	0	359.474	1.396	20	30		FDEDRO
CCCNC(=O)Nc1ccc(CC(=O)NC2(C#N)CC[NH+](C)CC2)cc1	ZINC000524686897	828425859	/nfs/dbraw/zinc/42/58/59/828425859.db2.gz	PSECDMBSNGPOJU-UHFFFAOYSA-N	1	0	357.458	1.865	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CCc3cnn(C)c3)[C@@H]2CC)nn1	ZINC001087754316	822369134	/nfs/dbraw/zinc/36/91/34/822369134.db2.gz	ZTMDYDZJTHXCKD-DOTOQJQBSA-N	1	0	357.462	1.023	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2nccn3ccnc23)C[C@H]1C(F)(F)F	ZINC001112167654	822408720	/nfs/dbraw/zinc/40/87/20/822408720.db2.gz	XTOLDKJMQGDHMG-VXGBXAGGSA-N	1	0	351.332	1.345	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cn(CC)nn2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087778133	822420738	/nfs/dbraw/zinc/42/07/38/822420738.db2.gz	HOCJRGROZFBYBI-FUHWJXTLSA-N	1	0	352.442	1.953	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCc3cnn(C)c3)[C@@H]2CC)nc1	ZINC001087800096	822459219	/nfs/dbraw/zinc/45/92/19/822459219.db2.gz	CXKQLFIUXVUSNC-PKOBYXMFSA-N	1	0	351.454	1.622	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)[C@@H]2CC)cn1	ZINC001087802545	822462456	/nfs/dbraw/zinc/46/24/56/822462456.db2.gz	WLOSXDDXNMOHTA-RBUKOAKNSA-N	1	0	364.449	1.545	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCN(C(C)=O)C2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087811621	822475025	/nfs/dbraw/zinc/47/50/25/822475025.db2.gz	DKSLAZLHNZFVRD-HSALFYBXSA-N	1	0	368.481	1.896	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccncc4)C[C@@H]3C2)C1=O	ZINC001087864371	822637059	/nfs/dbraw/zinc/63/70/59/822637059.db2.gz	CRHHQKVCKUTDDM-SQNIBIBYSA-N	1	0	354.454	1.262	20	30		FDEDRO
N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1	ZINC000895598452	822664127	/nfs/dbraw/zinc/66/41/27/822664127.db2.gz	FLVFSQGQUCTGDP-OALUTQOASA-N	1	0	372.444	1.255	20	30		FDEDRO
N#C[C@@H](c1ccccc1)N1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1	ZINC000895600576	822664517	/nfs/dbraw/zinc/66/45/17/822664517.db2.gz	ZMIJMKPGDGLTLO-FQEVSTJZSA-N	1	0	368.481	1.506	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C4=COCCO4)C[C@@H]3C2)cc1F	ZINC001087874280	822669437	/nfs/dbraw/zinc/66/94/37/822669437.db2.gz	PMSZOKOUDYKYBE-SJORKVTESA-N	1	0	371.412	1.866	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(=O)[nH]n3)C[C@@H]2C1	ZINC001087875177	822673600	/nfs/dbraw/zinc/67/36/00/822673600.db2.gz	ITSLEBBWXNZOHA-SJORKVTESA-N	1	0	363.421	1.648	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCOC4)C[C@@H]3C2)cc1	ZINC001087902995	822779601	/nfs/dbraw/zinc/77/96/01/822779601.db2.gz	WZQASBZWWPKBOM-QYZOEREBSA-N	1	0	369.465	1.906	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ncoc4C)C[C@@H]3C2)C1=O	ZINC001087904239	822785395	/nfs/dbraw/zinc/78/53/95/822785395.db2.gz	ZSWYGAJKROGHFQ-OWCLPIDISA-N	1	0	358.442	1.164	20	30		FDEDRO
C[NH+]=C(NCCOC1CCCCC1)N1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000262575506	828546371	/nfs/dbraw/zinc/54/63/71/828546371.db2.gz	OEAKQWJJAMWAKO-KRWDZBQOSA-N	1	0	366.506	1.234	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4cc[nH]n4)C[C@@H]3C2)s1	ZINC001087917207	823826298	/nfs/dbraw/zinc/82/62/98/823826298.db2.gz	IXLAKIJBSHQRTI-KGLIPLIRSA-N	1	0	355.467	1.866	20	30		FDEDRO
O=C(CCc1nnc[nH]1)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001087925716	823938577	/nfs/dbraw/zinc/93/85/77/823938577.db2.gz	AIONWBSAILTDMD-MOPGFXCFSA-N	1	0	363.465	1.569	20	30		FDEDRO
O=C(CN1CCOCC1)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001087937879	824006307	/nfs/dbraw/zinc/00/63/07/824006307.db2.gz	WNHQAOKCGZAHKB-RTWAWAEBSA-N	1	0	367.493	1.151	20	30		FDEDRO
N#Cc1cc(C(=O)N2C[C@@H]3C[N@@H+](CCc4ccns4)CC[C@@H]3C2)c[nH]1	ZINC001087940024	824034383	/nfs/dbraw/zinc/03/43/83/824034383.db2.gz	IFBIYGYUTROOFB-HIFRSBDPSA-N	1	0	355.467	1.979	20	30		FDEDRO
N#Cc1cc(C(=O)N2C[C@@H]3C[N@@H+](C[C@H]4CCc5ncnn54)CC[C@@H]3C2)c[nH]1	ZINC001087940122	824035305	/nfs/dbraw/zinc/03/53/05/824035305.db2.gz	SBKNEAWPPBKQJW-UKPHBRMFSA-N	1	0	365.441	1.059	20	30		FDEDRO
Cn1oc(C(=O)N2C[C@@H]3C[N@@H+](CC#Cc4ccccc4)CC[C@@H]3C2)cc1=O	ZINC001087948105	824095666	/nfs/dbraw/zinc/09/56/66/824095666.db2.gz	JOXPFMGNCCVFRZ-MSOLQXFVSA-N	1	0	365.433	1.424	20	30		FDEDRO
Cn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)CC[C@@H]3C2)nn1	ZINC001087956340	824146226	/nfs/dbraw/zinc/14/62/26/824146226.db2.gz	KNULKKYHXVGTRJ-SJORKVTESA-N	1	0	350.426	1.281	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H]2C[N@H+](CC(=O)N3CCCCCC3)CC[C@@H]2C1	ZINC001087962213	824197883	/nfs/dbraw/zinc/19/78/83/824197883.db2.gz	DCHBIYAFJVZTNV-MOPGFXCFSA-N	1	0	357.498	1.583	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]cc3-c3cnn(C)c3)C[C@@H]2C1	ZINC001087964543	824218192	/nfs/dbraw/zinc/21/81/92/824218192.db2.gz	PEXYBTQBTIFCDB-WBVHZDCISA-N	1	0	351.454	1.832	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn([C@H]4CCOC4)nc3C)C[C@@H]2C1	ZINC001087966748	824246437	/nfs/dbraw/zinc/24/64/37/824246437.db2.gz	SRUPHHUPHJLBRS-SQNIBIBYSA-N	1	0	356.470	1.570	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCn3cccn3)CC[C@@H]2C1	ZINC001087970043	824273735	/nfs/dbraw/zinc/27/37/35/824273735.db2.gz	BISUENVDPOYJQA-HCXYKTFWSA-N	1	0	358.486	1.645	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C(=O)C(C)(C)C)C[C@@H]2C1	ZINC001087976470	824323797	/nfs/dbraw/zinc/32/37/97/824323797.db2.gz	PSJGAMLPCMNOKB-FGTMMUONSA-N	1	0	359.514	1.827	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)C[C@@H]2C1	ZINC001087977831	824327483	/nfs/dbraw/zinc/32/74/83/824327483.db2.gz	XZTRATOBWAIVCY-QRVBRYPASA-N	1	0	359.514	1.991	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@H]1CCOC2(CCCC2)C1)=[NH+]C1CCOCC1	ZINC000262270778	824489564	/nfs/dbraw/zinc/48/95/64/824489564.db2.gz	GRDNKJWMDWAZPO-INIZCTEOSA-N	1	0	366.506	1.281	20	30		FDEDRO
CC[N@@H+]1C[C@@H](C)N(CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)C[C@H]1C	ZINC000329013107	824533677	/nfs/dbraw/zinc/53/36/77/824533677.db2.gz	FEEDRSMMTNYTCV-CHWSQXEVSA-N	1	0	358.442	1.915	20	30		FDEDRO
Cc1noc([C@H](NC(=O)NC2CC[NH+](C3CC3)CC2)C2CCOCC2)n1	ZINC000329059358	824549994	/nfs/dbraw/zinc/54/99/94/824549994.db2.gz	UHGDQYWYYNJVSX-MRXNPFEDSA-N	1	0	363.462	1.976	20	30		FDEDRO
Cc1noc([C@@H]2CN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCN2C)n1	ZINC000329088583	824572206	/nfs/dbraw/zinc/57/22/06/824572206.db2.gz	VQGFWLOPHDTPCP-UYTSQGDYSA-N	1	0	362.478	1.596	20	30		FDEDRO
Cn1ncc2c1CCC[C@H]2NC(=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000329093409	824577279	/nfs/dbraw/zinc/57/72/79/824577279.db2.gz	AOOCLDJWIZULDZ-MRXNPFEDSA-N	1	0	361.490	1.946	20	30		FDEDRO
Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000329104931	824589616	/nfs/dbraw/zinc/58/96/16/824589616.db2.gz	CTRKUSWGENLBHH-ZACQAIPSSA-N	1	0	361.490	1.951	20	30		FDEDRO
C[C@@H](NC(=O)CCCCOc1cccc(C#N)c1)[C@H]1C[N@H+](C)CCN1C	ZINC000896561058	824589637	/nfs/dbraw/zinc/58/96/37/824589637.db2.gz	VIOYRFVHXXWRFB-VQIMIIECSA-N	1	0	358.486	1.858	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1	ZINC000329108132	824592788	/nfs/dbraw/zinc/59/27/88/824592788.db2.gz	FNAGALMCFAIVHA-VQIMIIECSA-N	1	0	366.506	1.224	20	30		FDEDRO
O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)NC[C@H]1COCCO1	ZINC000329124967	824612217	/nfs/dbraw/zinc/61/22/17/824612217.db2.gz	XUEGKDGLHONFGY-SFHVURJKSA-N	1	0	363.458	1.062	20	30		FDEDRO
COCCn1nc(C)c(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1C	ZINC000329148179	824626620	/nfs/dbraw/zinc/62/66/20/824626620.db2.gz	PNFUURVRLPDNOT-INIZCTEOSA-N	1	0	365.478	1.346	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)COc3ccc(C#N)cc3)CC2)C1=O	ZINC000329168410	824639176	/nfs/dbraw/zinc/63/91/76/824639176.db2.gz	JADIUIGCKPKHNI-QGZVFWFLSA-N	1	0	356.426	1.589	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1CCC(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1	ZINC000329188733	824653815	/nfs/dbraw/zinc/65/38/15/824653815.db2.gz	PLBVPAGPEYNLTD-HZPDHXFCSA-N	1	0	361.490	1.970	20	30		FDEDRO
CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC[C@H]2CCCN(C(C)=O)C2)C1	ZINC000329204703	824666005	/nfs/dbraw/zinc/66/60/05/824666005.db2.gz	WTWQKIZPTXNMDW-SQNIBIBYSA-N	1	0	366.506	1.344	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC000984743607	824682532	/nfs/dbraw/zinc/68/25/32/824682532.db2.gz	AIJIJHNGNDMDGB-CWLKWCNXSA-N	1	0	371.485	1.726	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CC[C@H]1CCC[N@@H+]1C	ZINC000984745342	824689229	/nfs/dbraw/zinc/68/92/29/824689229.db2.gz	JGKLPNHIUKPJFH-SOLBZPMBSA-N	1	0	371.485	1.870	20	30		FDEDRO
CC(C)[C@@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)c1nncn1C	ZINC000329250733	824695700	/nfs/dbraw/zinc/69/57/00/824695700.db2.gz	XTUSPYDCVWOSLU-GDBMZVCRSA-N	1	0	364.494	1.611	20	30		FDEDRO
Cn1nccc1[C@H]1[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC(=O)N1C	ZINC000329259869	824697930	/nfs/dbraw/zinc/69/79/30/824697930.db2.gz	AITLWEXYEWCPCB-IIDMSEBBSA-N	1	0	374.489	1.166	20	30		FDEDRO
O=C(NCc1ccnc(OC2CCOCC2)c1)N[C@H]1CC[N@@H+](C2CC2)C1	ZINC000329284551	824714733	/nfs/dbraw/zinc/71/47/33/824714733.db2.gz	GCMLIEFSBNKUHZ-HNNXBMFYSA-N	1	0	360.458	1.880	20	30		FDEDRO
CC[C@H](CNC(=O)NCC(=O)N1CCOCC1)[N@@H+]1CCc2ccccc2C1	ZINC000329308443	824726200	/nfs/dbraw/zinc/72/62/00/824726200.db2.gz	YVQIEJRWBAJCQR-GOSISDBHSA-N	1	0	374.485	1.186	20	30		FDEDRO
CCC(CC)C(=O)N1CCC(NC(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1	ZINC000329351950	824750380	/nfs/dbraw/zinc/75/03/80/824750380.db2.gz	FNYDCXOKWRSNOG-KRWDZBQOSA-N	1	0	367.538	1.163	20	30		FDEDRO
CN(C(=O)NC[C@@H]1CCn2ncc(C(N)=O)c2C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000329379169	824762482	/nfs/dbraw/zinc/76/24/82/824762482.db2.gz	MWSJVIROYXVPEQ-JKXDFHQYSA-N	1	0	374.489	1.800	20	30		FDEDRO
CN1CCN(CC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC1=O	ZINC000329438962	824786752	/nfs/dbraw/zinc/78/67/52/824786752.db2.gz	ATOOLMUPUOQFBE-UHFFFAOYSA-N	1	0	362.449	1.521	20	30		FDEDRO
COc1nnccc1NC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1	ZINC000329496789	824837547	/nfs/dbraw/zinc/83/75/47/824837547.db2.gz	DXUKDPMDIXIDJD-UHFFFAOYSA-N	1	0	362.478	1.380	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)n3nnnc3C(C)(C)C)C[C@@H]2C1	ZINC001087989477	824928092	/nfs/dbraw/zinc/92/80/92/824928092.db2.gz	HELAITXYCDHMCJ-OAGGEKHMSA-N	1	0	360.506	1.888	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CNC(=O)c4ccccc43)C[C@@H]2C1	ZINC001087996736	825003080	/nfs/dbraw/zinc/00/30/80/825003080.db2.gz	MXSWYSHYTFLXJX-JTDSTZFVSA-N	1	0	353.466	1.870	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)s1	ZINC000984819532	825013575	/nfs/dbraw/zinc/01/35/75/825013575.db2.gz	CGJYBELRKCHFJI-YIYPIFLZSA-N	1	0	360.483	1.506	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nn(C)cc2Cl)C1	ZINC000984826296	825032924	/nfs/dbraw/zinc/03/29/24/825032924.db2.gz	PXFXKODRXILVRC-JXFSHQFZSA-N	1	0	352.866	1.649	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)c2nnc(C)s2)C1	ZINC000984826479	825034007	/nfs/dbraw/zinc/03/40/07/825034007.db2.gz	UJZKBDFQSDIBDR-RCXZEQIESA-N	1	0	350.488	1.983	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cncc(C)c3)CC[C@@H]2C1	ZINC001087997956	825073334	/nfs/dbraw/zinc/07/33/34/825073334.db2.gz	JGAAXZZOUXMXIH-HKBOAZHASA-N	1	0	366.509	1.768	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC3(F)F)[C@H]2CC)CC1	ZINC000984840218	825102362	/nfs/dbraw/zinc/10/23/62/825102362.db2.gz	QCDHFMIXUALWAX-HRCADAONSA-N	1	0	367.440	1.483	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21	ZINC000525902608	828752264	/nfs/dbraw/zinc/75/22/64/828752264.db2.gz	YBNNIMCPLNXUOH-HOCLYGCPSA-N	1	0	356.426	1.448	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@H]2CC)nc1	ZINC000984894601	825275045	/nfs/dbraw/zinc/27/50/45/825275045.db2.gz	BVKKOHJGLFGFPM-XYJFISCASA-N	1	0	354.454	1.124	20	30		FDEDRO
O=C(C[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1)N1CCN(C(=O)Nc2ccccc2)CC1	ZINC000329678948	825286106	/nfs/dbraw/zinc/28/61/06/825286106.db2.gz	XGGDCPDPJWWDOJ-SZMVWBNQSA-N	1	0	372.469	1.079	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccnc(N4CCCC4)n3)C[C@@H]2C1	ZINC001088017204	825286269	/nfs/dbraw/zinc/28/62/69/825286269.db2.gz	QFZQLEMERRGKNN-SJORKVTESA-N	1	0	353.470	1.494	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3nnc(-c4ccco4)n3)C[C@@H]2C1	ZINC001088023210	825349828	/nfs/dbraw/zinc/34/98/28/825349828.db2.gz	TVRLZUHINAUMJF-CABCVRRESA-N	1	0	356.430	1.290	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnns2)C1	ZINC000984905618	825361883	/nfs/dbraw/zinc/36/18/83/825361883.db2.gz	QUONCHXOCUFWJC-SDADXPQNSA-N	1	0	350.488	1.894	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)CC[N@@H+]1C	ZINC000329799484	825463113	/nfs/dbraw/zinc/46/31/13/825463113.db2.gz	HOCWLIPJHIPAOY-ZBFHGGJFSA-N	1	0	360.458	1.547	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](NC(=O)N(C)C[C@@H]2C[C@H](F)CN2c2ccncn2)C1	ZINC000329892615	825525241	/nfs/dbraw/zinc/52/52/41/825525241.db2.gz	AHXRZOIKIKWIRJ-JYJNAYRXSA-N	1	0	364.469	1.724	20	30		FDEDRO
C[C@@H]1OCC[C@]12CN(C(=O)NC1CC[NH+]([C@@H]3CCC[C@H]3O)CC1)CCO2	ZINC000329928398	825546819	/nfs/dbraw/zinc/54/68/19/825546819.db2.gz	XWDUZCLQWWYWEW-WFEDQXDTSA-N	1	0	367.490	1.158	20	30		FDEDRO
Cc1c([C@@H]2[C@H](C(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)CC(=O)N2C)cnn1C	ZINC000329935884	825550920	/nfs/dbraw/zinc/55/09/20/825550920.db2.gz	CTJDOPRQURAAGQ-PNPHSEOMSA-N	1	0	359.474	1.855	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(C)[C@@H](c2nccn2C)C1)[N@@H+]1CCC[C@@H](C)C1	ZINC000329976999	825574044	/nfs/dbraw/zinc/57/40/44/825574044.db2.gz	ZFQKIMMUKUHCER-BRWVUGGUSA-N	1	0	362.522	1.743	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2CC)c1	ZINC000984946240	825617610	/nfs/dbraw/zinc/61/76/10/825617610.db2.gz	KPJZCQKNTFTZHV-DQEVTTJGSA-N	1	0	368.481	1.512	20	30		FDEDRO
CC[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C1CCOCC1	ZINC000330155376	825687360	/nfs/dbraw/zinc/68/73/60/825687360.db2.gz	YGLCQMFLXBKRDC-IRXDYDNUSA-N	1	0	366.506	1.344	20	30		FDEDRO
CC[N@@H+]1C[C@H](C)N(C(=O)NCc2cccc(N3CCOCC3)n2)C[C@@H]1C	ZINC000330165478	825696443	/nfs/dbraw/zinc/69/64/43/825696443.db2.gz	XAVTWPNVVYOTEP-HOTGVXAUSA-N	1	0	361.490	1.747	20	30		FDEDRO
CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)c2C1	ZINC000330177877	825707334	/nfs/dbraw/zinc/70/73/34/825707334.db2.gz	LBWPMSBQAPFONP-JFIYKMOQSA-N	1	0	373.501	1.978	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)Nc4ccccc43)C[C@@H]2C1	ZINC001088059807	825717303	/nfs/dbraw/zinc/71/73/03/825717303.db2.gz	VJKZUOFSHWXMAA-SOLBZPMBSA-N	1	0	351.450	1.916	20	30		FDEDRO
O=C(CC1CCN(C(=O)N[C@@H]2CCn3ccnc3C2)CC1)N1CCCC1	ZINC000330195367	825724724	/nfs/dbraw/zinc/72/47/24/825724724.db2.gz	PCPSDEXTZDBNIQ-MRXNPFEDSA-N	1	0	359.474	1.836	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](CC(=O)N4CCC4)CC[C@@H]3C2)cc1	ZINC001088062204	825753076	/nfs/dbraw/zinc/75/30/76/825753076.db2.gz	UBXGHDLQXYLLAE-MOPGFXCFSA-N	1	0	351.450	1.294	20	30		FDEDRO
Cc1n[nH]nc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3F)CC[C@@H]2C1	ZINC001088062751	825757616	/nfs/dbraw/zinc/75/76/16/825757616.db2.gz	WGZPAQXQCKKKHD-ZBFHGGJFSA-N	1	0	368.416	1.718	20	30		FDEDRO
CN(C(=O)NCc1cccnc1N1CC[NH+](C)CC1)[C@@H]1CCCC[C@H]1O	ZINC000330256017	825769061	/nfs/dbraw/zinc/76/90/61/825769061.db2.gz	PWKMMEADPCWQFS-IAGOWNOFSA-N	1	0	361.490	1.483	20	30		FDEDRO
C[C@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)[C@H](C)N1CCOCC1	ZINC000330256597	825770034	/nfs/dbraw/zinc/77/00/34/825770034.db2.gz	KUHJIPDFFPMCEY-ULQDDVLXSA-N	1	0	368.522	1.195	20	30		FDEDRO
CN(C)c1noc(CCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)n1	ZINC000330284690	825794252	/nfs/dbraw/zinc/79/42/52/825794252.db2.gz	XVWTUVHYZUOMHM-CABCVRRESA-N	1	0	365.478	1.793	20	30		FDEDRO
C[C@@H](Cn1cncn1)NC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1	ZINC000330317804	825900875	/nfs/dbraw/zinc/90/08/75/825900875.db2.gz	BWXIWJKLZHLNIU-YQQAZPJKSA-N	1	0	374.493	1.329	20	30		FDEDRO
C[NH+](C)CCN1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1	ZINC000281164190	825904423	/nfs/dbraw/zinc/90/44/23/825904423.db2.gz	HGRKESFUCLIXCW-UHFFFAOYSA-N	1	0	352.442	1.063	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+](C)C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)C1=O	ZINC000281428910	825954973	/nfs/dbraw/zinc/95/49/73/825954973.db2.gz	SHGQYAOBVBQXBA-SJLPKXTDSA-N	1	0	356.470	1.733	20	30		FDEDRO
CN1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)CC[C@@H]3C2)C1=O	ZINC001088074192	825987902	/nfs/dbraw/zinc/98/79/02/825987902.db2.gz	FDQHCUHSILEHBE-QYZOEREBSA-N	1	0	366.465	1.317	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccnc4c3nnn4C)C[C@@H]2C1	ZINC001088082818	826181758	/nfs/dbraw/zinc/18/17/58/826181758.db2.gz	MBRJFOMXTXRYRG-CABCVRRESA-N	1	0	354.458	1.723	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@@H]1CC	ZINC000985047773	826232741	/nfs/dbraw/zinc/23/27/41/826232741.db2.gz	PCVBMDGEQLHHLF-JQHSSLGASA-N	1	0	367.453	1.093	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)NC1CCN(C(=O)C2CC2)CC1	ZINC000262392887	826297009	/nfs/dbraw/zinc/29/70/09/826297009.db2.gz	MLKLXZPTRGPIBJ-GVDBMIGSSA-N	1	0	362.518	1.756	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3C[N@H+](Cc4cnoc4C)CC[C@@H]3C2)c1	ZINC001088099256	826388968	/nfs/dbraw/zinc/38/89/68/826388968.db2.gz	BJVIAHDAAXADKG-APWZRJJASA-N	1	0	350.422	1.953	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cc4occc4C)C[C@@H]3C2)C1=O	ZINC001088099468	826390002	/nfs/dbraw/zinc/39/00/02/826390002.db2.gz	MOXNUEQTSPCWPA-FGTMMUONSA-N	1	0	371.481	1.698	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3nnc4ccccc4c3O)C[C@@H]2C1	ZINC001088126766	826531822	/nfs/dbraw/zinc/53/18/22/826531822.db2.gz	VMZYCALUTGCGIV-CABCVRRESA-N	1	0	350.422	1.753	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cnn4cc(OC)ccc34)C[C@@H]2C1	ZINC001088142058	826674073	/nfs/dbraw/zinc/67/40/73/826674073.db2.gz	PZGOUKJALNWXSG-CVEARBPZSA-N	1	0	352.438	1.760	20	30		FDEDRO
N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)c4nc[nH]n4)C[C@@H]3C2)c1	ZINC001088144374	826696976	/nfs/dbraw/zinc/69/69/76/826696976.db2.gz	HPVMOYZECMMNEN-HIFRSBDPSA-N	1	0	354.389	1.410	20	30		FDEDRO
C=CCOc1ccc(C[NH+]2CCC3(CC2)C[C@H](O)CNC3=O)cc1OC	ZINC000897043080	826826937	/nfs/dbraw/zinc/82/69/37/826826937.db2.gz	SEZXDOJQCSTDIP-INIZCTEOSA-N	1	0	360.454	1.723	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2CC)nc1	ZINC000985211952	826919641	/nfs/dbraw/zinc/91/96/41/826919641.db2.gz	NCVQKYGBCLZDEV-SOLBZPMBSA-N	1	0	354.454	1.124	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2CC)cn1	ZINC000985210647	826934662	/nfs/dbraw/zinc/93/46/62/826934662.db2.gz	CMYIWLACAZMJFV-KSZLIROESA-N	1	0	356.470	1.512	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@@H]1CC	ZINC000985220757	826952476	/nfs/dbraw/zinc/95/24/76/826952476.db2.gz	HNXITLMIZMBOGO-HSALFYBXSA-N	1	0	367.493	1.658	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CCC(C(=O)N(C)C)CC3)C[C@@H]2C1	ZINC001088168077	826981084	/nfs/dbraw/zinc/98/10/84/826981084.db2.gz	IEIPIGRMNXSSLD-GMNCBBECSA-N	1	0	359.514	1.685	20	30		FDEDRO
C[C@H]1CN(C(=[NH2+])NCC(=O)N2CCC(Cc3ccccc3)CC2)CCO1	ZINC000262451096	826991946	/nfs/dbraw/zinc/99/19/46/826991946.db2.gz	JXCNVPZRZYBQAY-INIZCTEOSA-N	1	0	358.486	1.503	20	30		FDEDRO
N#Cc1cc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)ncc1Br	ZINC000897219325	827179323	/nfs/dbraw/zinc/17/93/23/827179323.db2.gz	KLOFRMKVPSLCJN-KGLIPLIRSA-N	1	0	351.248	1.751	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1	ZINC001168062133	827200865	/nfs/dbraw/zinc/20/08/65/827200865.db2.gz	PQCCHXDKLKBRGU-XOKHGSTOSA-N	1	0	361.873	1.677	20	30		FDEDRO
Cn1ncc(C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)c1C#N	ZINC000475379900	827240327	/nfs/dbraw/zinc/24/03/27/827240327.db2.gz	YOIFSRVQUACFSR-UHFFFAOYSA-N	1	0	354.370	1.014	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC3)CC[C@@H]2C1	ZINC001088184231	827313297	/nfs/dbraw/zinc/31/32/97/827313297.db2.gz	UYLDQYWTIIOAQH-UXHICEINSA-N	1	0	365.477	1.223	20	30		FDEDRO
C=C(Br)CN1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1	ZINC001088199291	827429327	/nfs/dbraw/zinc/42/93/27/827429327.db2.gz	JOHSURKPYNSWKQ-KFWWJZLASA-N	1	0	356.308	1.627	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(NC(=O)NC)cc3)C[C@@H]2C1	ZINC001088216407	827525846	/nfs/dbraw/zinc/52/58/46/827525846.db2.gz	GOJJYBKQBSMDDJ-SJORKVTESA-N	1	0	354.454	1.855	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3C(=O)Nc4ccccc43)C[C@@H]2C1	ZINC001088218631	827534590	/nfs/dbraw/zinc/53/45/90/827534590.db2.gz	BXKDKSYHYABIPA-SOLBZPMBSA-N	1	0	351.450	1.916	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1	ZINC001088235067	827603563	/nfs/dbraw/zinc/60/35/63/827603563.db2.gz	IWJCJXXTXKCOQT-JQHSSLGASA-N	1	0	352.475	1.306	20	30		FDEDRO
C[C@H]1CCCN(C(=[NH2+])NCCN2CCN(C(=O)C3CCCCC3)CC2)C1	ZINC000262513247	827775264	/nfs/dbraw/zinc/77/52/64/827775264.db2.gz	FENSVEFDXWZYJK-KRWDZBQOSA-N	1	0	363.550	1.758	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2cccc(C(=O)OC)c2)CC1	ZINC000305031471	828026781	/nfs/dbraw/zinc/02/67/81/828026781.db2.gz	YUBQMRBXJFEAIH-UHFFFAOYSA-N	1	0	362.430	1.498	20	30		FDEDRO
COc1cc(C[NH+]2C[C@H](O)[C@@H](O)C2)ccc1OCc1cccc(C#N)c1	ZINC000444695545	828175661	/nfs/dbraw/zinc/17/56/61/828175661.db2.gz	FQIJKKHAEVMRJS-ROUUACIJSA-N	1	0	354.406	1.683	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)CC1	ZINC000527048635	828942376	/nfs/dbraw/zinc/94/23/76/828942376.db2.gz	ZTLXWEJTYQVLKW-KRWDZBQOSA-N	1	0	361.534	1.428	20	30		FDEDRO
C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)CC1	ZINC000985697043	829037757	/nfs/dbraw/zinc/03/77/57/829037757.db2.gz	ONTTUSRZPLQERE-NVXWUHKLSA-N	1	0	366.893	1.964	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)Nc1nccs1	ZINC001168100653	829195170	/nfs/dbraw/zinc/19/51/70/829195170.db2.gz	FOKJXJOYXONSTO-RDBSUJKOSA-N	1	0	366.487	1.547	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N(C(C)C)C(C)C	ZINC001168101735	829239437	/nfs/dbraw/zinc/23/94/37/829239437.db2.gz	XREOMXCEYOOSPO-WMZOPIPTSA-N	1	0	353.507	1.709	20	30		FDEDRO
N#Cc1ccc(N2C[C@H](C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2=O)cc1Cl	ZINC000448793838	829251323	/nfs/dbraw/zinc/25/13/23/829251323.db2.gz	MMAGIWOXQKANKW-KGLIPLIRSA-N	1	0	372.856	1.917	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)=O)C[C@H]1C(F)(F)F	ZINC001112196329	829397238	/nfs/dbraw/zinc/39/72/38/829397238.db2.gz	CPSBFSPSMXSHON-KFWWJZLASA-N	1	0	361.408	1.942	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1	ZINC000528424070	829404221	/nfs/dbraw/zinc/40/42/21/829404221.db2.gz	WRVDDGUMTYYYGX-QRQLOZEOSA-N	1	0	369.465	1.773	20	30		FDEDRO
C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O	ZINC000528503210	829429123	/nfs/dbraw/zinc/42/91/23/829429123.db2.gz	DLMQGLZCDVZZBJ-DLBZAZTESA-N	1	0	367.449	1.081	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CCOC[C@H]1CCCCO1	ZINC001168110398	829554607	/nfs/dbraw/zinc/55/46/07/829554607.db2.gz	SVZCOWDWXNKNHY-SQNIBIBYSA-N	1	0	354.491	1.649	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@@H]3C2)cc1	ZINC000985831073	829816803	/nfs/dbraw/zinc/81/68/03/829816803.db2.gz	MLTLKGDOAXSYBF-HSALFYBXSA-N	1	0	365.477	1.683	20	30		FDEDRO
CCOC(=O)c1ccc(CN2CCN(c3cc(C#N)ccn3)CC2)nc1	ZINC000450261971	829899417	/nfs/dbraw/zinc/89/94/17/829899417.db2.gz	KSBSMZLNJUVIGK-UHFFFAOYSA-N	1	0	351.410	1.847	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC(=O)N2C)C[C@H]1C(F)(F)F	ZINC001112199890	829988929	/nfs/dbraw/zinc/98/89/29/829988929.db2.gz	AQVFDOPTZMCEDL-MCIONIFRSA-N	1	0	361.408	1.942	20	30		FDEDRO
C[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]3C2)CC1	ZINC000985894635	830012628	/nfs/dbraw/zinc/01/26/28/830012628.db2.gz	OGSOSTPGWSGMBC-SJORKVTESA-N	1	0	369.469	1.149	20	30		FDEDRO
N#Cc1c(N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)nc2cc(Cl)ccn12	ZINC000450895517	830164132	/nfs/dbraw/zinc/16/41/32/830164132.db2.gz	YANKCMSRNYGDDE-CQSZACIVSA-N	1	0	372.860	1.650	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](C[C@@H]3CCN(S(C)(=O)=O)C3)[C@@H]2C)C1	ZINC001088844230	830218214	/nfs/dbraw/zinc/21/82/14/830218214.db2.gz	JDQSKMDAQKXCCS-PMPSAXMXSA-N	1	0	369.531	1.203	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@@H]1CC(=O)N(Cc2ccc(OC)cc2)C1	ZINC000729812378	837438071	/nfs/dbraw/zinc/43/80/71/837438071.db2.gz	UHCAZAYWZLEDER-QZTJIDSGSA-N	1	0	370.449	1.685	20	30		FDEDRO
CN(CC[N@H+](C)Cc1ccc(CC#N)cc1)c1ccc(S(N)(=O)=O)cc1	ZINC000451276074	830322491	/nfs/dbraw/zinc/32/24/91/830322491.db2.gz	JNGPRZZKQLSLFE-UHFFFAOYSA-N	1	0	372.494	1.968	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(CC#N)c1)Cc1ccccc1	ZINC000453569509	830946426	/nfs/dbraw/zinc/94/64/26/830946426.db2.gz	CTWPOJLUARJJFH-IBGZPJMESA-N	1	0	364.449	1.980	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1	ZINC000453594642	830952029	/nfs/dbraw/zinc/95/20/29/830952029.db2.gz	XFPRLKUWXYHUGU-UHFFFAOYSA-N	1	0	369.469	1.045	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)ccc1C#N	ZINC000453586099	830959203	/nfs/dbraw/zinc/95/92/03/830959203.db2.gz	ISKBMNWMKNMMIE-INIZCTEOSA-N	1	0	351.410	1.619	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)ccc1C#N	ZINC000453608653	830966184	/nfs/dbraw/zinc/96/61/84/830966184.db2.gz	HFKNAPFVQKOYAE-QGZVFWFLSA-N	1	0	365.437	1.489	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1	ZINC000453608191	830966417	/nfs/dbraw/zinc/96/64/17/830966417.db2.gz	UFEYAPZRCLAGMC-HNNXBMFYSA-N	1	0	370.453	1.517	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C)n2)C1	ZINC000453687784	831005176	/nfs/dbraw/zinc/00/51/76/831005176.db2.gz	GECGCTJKOMHUPE-MRXNPFEDSA-N	1	0	373.457	1.160	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CC[C@@H]2C1)[NH+](C)C	ZINC000986262425	831399791	/nfs/dbraw/zinc/39/97/91/831399791.db2.gz	PDYPRJOYWAXQTA-VKJFTORMSA-N	1	0	371.485	1.393	20	30		FDEDRO
C[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N1CCN(Cc2cc(C)on2)CC1	ZINC000262792841	831459089	/nfs/dbraw/zinc/45/90/89/831459089.db2.gz	OPAFUDQSGTZEOA-HKUYNNGSSA-N	1	0	363.506	1.617	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)C[NH+]4CCCC4)C[C@H]3C2)nc1	ZINC000986458722	831744651	/nfs/dbraw/zinc/74/46/51/831744651.db2.gz	ATWRJHQTMCGRHG-MSOLQXFVSA-N	1	0	366.465	1.079	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C(C)(C)C=C)C[C@@H]3C2)CC1	ZINC000986483348	831751473	/nfs/dbraw/zinc/75/14/73/831751473.db2.gz	FZLSGFNSIUJPPQ-MOPGFXCFSA-N	1	0	371.525	1.851	20	30		FDEDRO
COc1ccc(C#N)cc1CN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C	ZINC001088493883	831772549	/nfs/dbraw/zinc/77/25/49/831772549.db2.gz	CPGHFALUQRVFFK-FHLIZLRMSA-N	1	0	356.470	1.740	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C(C)C)C1	ZINC001112212038	832065500	/nfs/dbraw/zinc/06/55/00/832065500.db2.gz	JULIPPUDLBUNPM-VXGBXAGGSA-N	1	0	364.412	1.638	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CCCCCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000986995751	832397602	/nfs/dbraw/zinc/39/76/02/832397602.db2.gz	DFLFSDTWMMRBOS-HYVNUMGLSA-N	1	0	371.485	1.728	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1Cc1cc(=O)[nH]c(C2CC2)n1	ZINC001088529753	832461399	/nfs/dbraw/zinc/46/13/99/832461399.db2.gz	MIROHZJIEKOZLK-ABAIWWIYSA-N	1	0	366.425	1.652	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)NC(=O)C2CCC2)C[C@H]1C(F)(F)F	ZINC001112220163	832493117	/nfs/dbraw/zinc/49/31/17/832493117.db2.gz	OWYGMZRMJCUUON-IACUBPJLSA-N	1	0	359.392	1.293	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21	ZINC001075885490	832540479	/nfs/dbraw/zinc/54/04/79/832540479.db2.gz	ZFHQUVIMEBCQNT-LZLYRXPVSA-N	1	0	366.469	1.599	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)CC=C)C2	ZINC001112536969	832545129	/nfs/dbraw/zinc/54/51/29/832545129.db2.gz	JIUWTIMOGBWLGT-FIKGOQFSSA-N	1	0	359.514	1.945	20	30		FDEDRO
C=C(Br)CN1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1	ZINC001075887520	832882513	/nfs/dbraw/zinc/88/25/13/832882513.db2.gz	RKRSGYGWIBCTAU-DZGCQCFKSA-N	1	0	356.308	1.912	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]1C	ZINC000987620207	833497767	/nfs/dbraw/zinc/49/77/67/833497767.db2.gz	HMRMFZZZCIDYIE-OIISXLGYSA-N	1	0	371.485	1.868	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C)cc1	ZINC000988062894	833985206	/nfs/dbraw/zinc/98/52/06/833985206.db2.gz	NUCOPUWKHJCPHZ-AYOQOUSVSA-N	1	0	369.465	1.512	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCOC)C2	ZINC001112227362	834079911	/nfs/dbraw/zinc/07/99/11/834079911.db2.gz	IAGOZBVWCSBHDQ-PXNSSMCTSA-N	1	0	363.502	1.442	20	30		FDEDRO
C=CCCn1cc(C[N@@H+](C)[C@H](C)C2CCN(S(=O)(=O)CC)CC2)nn1	ZINC000653676651	834216671	/nfs/dbraw/zinc/21/66/71/834216671.db2.gz	SZQPRHQAOITICU-OAHLLOKOSA-N	1	0	369.535	1.736	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C)cc1	ZINC000988320226	834367400	/nfs/dbraw/zinc/36/74/00/834367400.db2.gz	NTMDDWXDPWPJMD-RGCFKVTRSA-N	1	0	353.466	1.727	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1	ZINC000332751846	834765905	/nfs/dbraw/zinc/76/59/05/834765905.db2.gz	BWVZDHYZXOMBAJ-DLBZAZTESA-N	1	0	362.518	1.903	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)[C@@H]1C	ZINC001088575999	835032889	/nfs/dbraw/zinc/03/28/89/835032889.db2.gz	QXAJHHMENSEGFU-BGTYHANMSA-N	1	0	359.470	1.446	20	30		FDEDRO
C[NH+](C)CC1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1	ZINC000532920982	835570102	/nfs/dbraw/zinc/57/01/02/835570102.db2.gz	ZZZGZRYPPAVMLS-UHFFFAOYSA-N	1	0	366.469	1.956	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H](C)C(C)(F)F)[C@@H]2C)CC1	ZINC000988506121	835656770	/nfs/dbraw/zinc/65/67/70/835656770.db2.gz	JBHAVXPLVSCVOI-FMKPAKJESA-N	1	0	369.456	1.729	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)/C=C/c3ccco3)[C@@H]2C)CC1	ZINC000988506970	835660991	/nfs/dbraw/zinc/66/09/91/835660991.db2.gz	BKCDGXLFWMOTLO-NHBNWDHASA-N	1	0	369.465	1.744	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)Cc3ccc(C)o3)[C@@H]2C)CC1	ZINC000988507604	835662100	/nfs/dbraw/zinc/66/21/00/835662100.db2.gz	WTFYDUSWXIHDPW-APWZRJJASA-N	1	0	371.481	1.581	20	30		FDEDRO
C[C@H]1CN(CCO)CCN1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000455374419	836024390	/nfs/dbraw/zinc/02/43/90/836024390.db2.gz	ADWMJPXKGYNPRA-NSHDSACASA-N	1	0	372.347	1.987	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cc(C3CC3)no2)C[C@H]1OC	ZINC001211994759	836027932	/nfs/dbraw/zinc/02/79/32/836027932.db2.gz	KCYYIIFICWEUSF-FSPWUOQZSA-N	1	0	363.458	1.849	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@H]1OC	ZINC001212029655	836336836	/nfs/dbraw/zinc/33/68/36/836336836.db2.gz	AYCATZWEQVIHAE-QZTJIDSGSA-N	1	0	355.438	1.753	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn4cc[nH]c34)[C@@H]2C(C)C)C[C@H]1O	ZINC001105669342	844208493	/nfs/dbraw/zinc/20/84/93/844208493.db2.gz	QXBUQCZNNDQFLV-VIPLHTEESA-N	1	0	371.485	1.818	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc1	ZINC000127785844	837076968	/nfs/dbraw/zinc/07/69/68/837076968.db2.gz	NFYLVBGCYUVGFA-SFHVURJKSA-N	1	0	359.470	1.521	20	30		FDEDRO
CC(C)c1cc(C(=O)N[C@@H]2CN(Cc3cccc(C#N)c3)C[C@@H]2O)nn1C	ZINC001083453009	837257511	/nfs/dbraw/zinc/25/75/11/837257511.db2.gz	MDNFNJZLDGWXRG-MJGOQNOKSA-N	1	0	367.453	1.390	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(CC)on3)[C@H]2C(C)C)C[C@H]1O	ZINC001105669687	844279722	/nfs/dbraw/zinc/27/97/22/844279722.db2.gz	UOWFLJKJNALIPB-XSYGEPLQSA-N	1	0	359.470	1.840	20	30		FDEDRO
CCn1cc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)CSCC#N)C3)nn1	ZINC001112264531	844299611	/nfs/dbraw/zinc/29/96/11/844299611.db2.gz	LLKRDKWATSLNHW-YOEHRIQHSA-N	1	0	362.503	1.273	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@H]2C)c1	ZINC000989053421	838237252	/nfs/dbraw/zinc/23/72/52/838237252.db2.gz	YIQJGGIFABDWNP-HFTRVMKXSA-N	1	0	354.454	1.124	20	30		FDEDRO
CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000508736327	838476733	/nfs/dbraw/zinc/47/67/33/838476733.db2.gz	KALQRBGRDYMEHT-ZWKOTPCHSA-N	1	0	356.470	1.942	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C)cn1	ZINC000989163217	838544630	/nfs/dbraw/zinc/54/46/30/838544630.db2.gz	BZJCZRTXYQLJOV-KDOFPFPSSA-N	1	0	354.454	1.266	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)[C@@H]1C	ZINC000989195457	838676986	/nfs/dbraw/zinc/67/69/86/838676986.db2.gz	MCVLIRPWSYZHKT-QKLQHJQFSA-N	1	0	367.493	1.800	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C)cc1	ZINC000989211253	838719307	/nfs/dbraw/zinc/71/93/07/838719307.db2.gz	UMZXSJPKUZTWEC-FCEWJHQRSA-N	1	0	353.466	1.729	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3ccnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105670247	844367517	/nfs/dbraw/zinc/36/75/17/844367517.db2.gz	YSDFRDUHZYKFLC-HNBVOPMISA-N	1	0	358.486	1.181	20	30		FDEDRO
N#Cc1ccccc1COc1cccc(C[NH2+]C[C@@H](O)Cn2ccnn2)c1	ZINC000459693869	838915924	/nfs/dbraw/zinc/91/59/24/838915924.db2.gz	JEPQGUIHLIOCBC-LJQANCHMSA-N	1	0	363.421	1.879	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN(c3cnc(C#N)cn3)C2)CC[N@@H+]1C	ZINC001059968677	839534953	/nfs/dbraw/zinc/53/49/53/839534953.db2.gz	MSZXYZLSHWEIMH-HYVNUMGLSA-N	1	0	356.474	1.411	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+][C@@H]1C[C@@]2(CN(C(C)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105582884	840008827	/nfs/dbraw/zinc/00/88/27/840008827.db2.gz	ZEIGELIXHVVTKK-JYBIWHBTSA-N	1	0	363.502	1.173	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(F)F)[C@@H]2C(C)C)C[C@H]1O	ZINC001105585873	840044611	/nfs/dbraw/zinc/04/46/11/840044611.db2.gz	XSKOEUAMDLLSFG-ATNYBXOESA-N	1	0	360.445	1.810	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC001059975625	840067209	/nfs/dbraw/zinc/06/72/09/840067209.db2.gz	FWMCQXYDMIJKEQ-BBWFWOEESA-N	1	0	361.486	1.028	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc(C)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105592195	840135880	/nfs/dbraw/zinc/13/58/80/840135880.db2.gz	ZIUKAEMOOSMZPU-PHXBYCTMSA-N	1	0	356.470	1.388	20	30		FDEDRO
C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N	ZINC000111220387	844520706	/nfs/dbraw/zinc/52/07/06/844520706.db2.gz	HFUQFIKOGSAANG-UMVBOHGHSA-N	1	0	363.421	1.809	20	30		FDEDRO
C=CCCC[C@@H](NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)c1ccccc1	ZINC000897716992	840306374	/nfs/dbraw/zinc/30/63/74/840306374.db2.gz	OAKFXNBVXYVLLW-RBUKOAKNSA-N	1	0	372.513	1.562	20	30		FDEDRO
C=CCc1cc(C[NH2+]CCS(=O)(=O)N2CCCC2)cc(OC)c1O	ZINC000897830759	840469819	/nfs/dbraw/zinc/46/98/19/840469819.db2.gz	MWCNKEWSKCIUEM-UHFFFAOYSA-N	1	0	354.472	1.645	20	30		FDEDRO
Cn1cc(C[NH2+]CCS(=O)(=O)N2CCCC2)c(-c2ccc(C#N)cc2)n1	ZINC000897830969	840471338	/nfs/dbraw/zinc/47/13/38/840471338.db2.gz	YVCFDLYUCLVHDF-UHFFFAOYSA-N	1	0	373.482	1.474	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)noc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105594522	840573663	/nfs/dbraw/zinc/57/36/63/840573663.db2.gz	RNLLJZJYDXSNST-QQTQMKHKSA-N	1	0	359.470	1.894	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(C)c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105595127	840594704	/nfs/dbraw/zinc/59/47/04/840594704.db2.gz	YIZLTRCGQHLVBO-XSYGEPLQSA-N	1	0	358.486	1.332	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105598286	840768546	/nfs/dbraw/zinc/76/85/46/840768546.db2.gz	NOLJFEGZSRWDFN-YAJHFMINSA-N	1	0	365.518	1.445	20	30		FDEDRO
CCOC(=O)N1C[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)[C@@H](CO)C1	ZINC000898353403	840988387	/nfs/dbraw/zinc/98/83/87/840988387.db2.gz	GVZHTGXTUZGQLQ-APWZRJJASA-N	1	0	372.469	1.566	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCC3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105600591	840997994	/nfs/dbraw/zinc/99/79/94/840997994.db2.gz	JSIUCYZDQUXUDB-IZBJGVDFSA-N	1	0	350.503	1.955	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCN(c2cccc(C#N)n2)CC1	ZINC000760510956	841093605	/nfs/dbraw/zinc/09/36/05/841093605.db2.gz	UCCKZVUTOURQPB-MRXNPFEDSA-N	1	0	358.515	1.434	20	30		FDEDRO
C=CCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnns3)C2)[C@H]1C(C)C	ZINC001105606390	841205677	/nfs/dbraw/zinc/20/56/77/841205677.db2.gz	CJTDGTOSCUGJCX-JOCBIADPSA-N	1	0	364.515	1.970	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCC(=O)NCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105607155	841222008	/nfs/dbraw/zinc/22/20/08/841222008.db2.gz	MIUMMECWXHDBJO-LTDCPUDJSA-N	1	0	351.491	1.055	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)COC(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105607739	841233642	/nfs/dbraw/zinc/23/36/42/841233642.db2.gz	WYZGFUPJVJWWAQ-HNBVOPMISA-N	1	0	368.518	1.580	20	30		FDEDRO
C=CCOCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCC3CC3)C2)[C@H]1C(C)C	ZINC001105609885	841431504	/nfs/dbraw/zinc/43/15/04/841431504.db2.gz	CUTRSTWCKGOWMG-LFGUQSLTSA-N	1	0	350.503	1.955	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccncc3F)[C@@H]2C(C)C)C[C@H]1O	ZINC001105610060	841562395	/nfs/dbraw/zinc/56/23/95/841562395.db2.gz	GVPFRKSQMMODKV-SOAMZJECSA-N	1	0	359.445	1.824	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=C)Cl)C2)[C@@H]1C(C)C	ZINC001105610257	841594751	/nfs/dbraw/zinc/59/47/51/841594751.db2.gz	JJKZRBBEPZAION-XYVMCAHJSA-N	1	0	356.894	1.908	20	30		FDEDRO
C=CCOCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC3CCC3)C2)[C@H]1C(C)C	ZINC001105612021	841938204	/nfs/dbraw/zinc/93/82/04/841938204.db2.gz	WTKHVKZLTTWRQO-LFGUQSLTSA-N	1	0	350.503	1.955	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cc[nH]n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105612332	842031771	/nfs/dbraw/zinc/03/17/71/842031771.db2.gz	ZQZRQWKWZLWIEQ-JYBIWHBTSA-N	1	0	360.502	1.885	20	30		FDEDRO
N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)NCCNc2cc[nH+]cc2)c1	ZINC000476756285	842115775	/nfs/dbraw/zinc/11/57/75/842115775.db2.gz	GFFYNXQPPWPWGX-GOSISDBHSA-N	1	0	363.421	1.094	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC001060026681	842115865	/nfs/dbraw/zinc/11/58/65/842115865.db2.gz	LRRMSBYWMKJIEC-BPQIPLTHSA-N	1	0	368.481	1.372	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619640	842238556	/nfs/dbraw/zinc/23/85/56/842238556.db2.gz	OQKBOIKYVUGIEC-UIXUWTQFSA-N	1	0	360.502	1.966	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCC(=O)NC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619575	842238886	/nfs/dbraw/zinc/23/88/86/842238886.db2.gz	NRLXIQIJJXYREI-RGCFKVTRSA-N	1	0	351.491	1.055	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(C)c3N)[C@H]2C(C)C)C[C@H]1O	ZINC001105619817	842240110	/nfs/dbraw/zinc/24/01/10/842240110.db2.gz	RMZKLCOPNGMDCG-JEWRLFTDSA-N	1	0	361.490	1.158	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@H]1C(C)C	ZINC001105619960	842240939	/nfs/dbraw/zinc/24/09/39/842240939.db2.gz	UKHLNCAGKPSUME-LFGUQSLTSA-N	1	0	350.503	1.529	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nccn3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105622393	842246651	/nfs/dbraw/zinc/24/66/51/842246651.db2.gz	ADBCKVQFUNYAPD-WWNBULGVSA-N	1	0	358.486	1.506	20	30		FDEDRO
CC/C(C)=C\C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC#CCOC)C2)[C@@H]1C(C)C	ZINC001105627435	842259712	/nfs/dbraw/zinc/25/97/12/842259712.db2.gz	NPVHGKDNHASRRY-VGEAFWNVSA-N	1	0	362.514	1.959	20	30		FDEDRO
COCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C#CC(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105627689	842260816	/nfs/dbraw/zinc/26/08/16/842260816.db2.gz	PAFYIVOAIYKAGP-HNBVOPMISA-N	1	0	350.503	1.648	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C)nn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105628726	842261472	/nfs/dbraw/zinc/26/14/72/842261472.db2.gz	XTHOREAKFJTIIA-FTEYMNFISA-N	1	0	356.470	1.388	20	30		FDEDRO
C#CCCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC#CCOC)C2)[C@@H]1C(C)C	ZINC001105628403	842261536	/nfs/dbraw/zinc/26/15/36/842261536.db2.gz	VMVYPXDVRRLUEN-QCFAMHMHSA-N	1	0	360.498	1.406	20	30		FDEDRO
COCCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C#CC3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105628798	842262421	/nfs/dbraw/zinc/26/24/21/842262421.db2.gz	YHZYGSKNGQOECG-QCFAMHMHSA-N	1	0	362.514	1.793	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3onc(C)c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637350	842271121	/nfs/dbraw/zinc/27/11/21/842271121.db2.gz	OCIOHLYLJYSMCM-CIWUYKSXSA-N	1	0	359.470	1.894	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)ncn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105637897	842274316	/nfs/dbraw/zinc/27/43/16/842274316.db2.gz	XEOLIHYEXQLVIE-ZTRFORPCSA-N	1	0	360.502	1.884	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cnc(C)o3)[C@H]2C(C)C)C[C@H]1O	ZINC001105632502	842279774	/nfs/dbraw/zinc/27/97/74/842279774.db2.gz	LZFVKTWQHSQJEI-IZBJGVDFSA-N	1	0	359.470	1.515	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cnc(C)o3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105632504	842280110	/nfs/dbraw/zinc/28/01/10/842280110.db2.gz	LZFVKTWQHSQJEI-LFGUQSLTSA-N	1	0	359.470	1.515	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)nnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105632699	842280854	/nfs/dbraw/zinc/28/08/54/842280854.db2.gz	NOAFFGRLLPWGER-WERVVEIQSA-N	1	0	370.497	1.696	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(F)CCOCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105633054	842281571	/nfs/dbraw/zinc/28/15/71/842281571.db2.gz	POUCGEDPCGEVCN-VXIBKDFQSA-N	1	0	366.477	1.495	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCF)C2)[C@@H]1C(C)C	ZINC001105633556	842282491	/nfs/dbraw/zinc/28/24/91/842282491.db2.gz	VDRYWIRIJQKYTL-ZAWLATJESA-N	1	0	354.466	1.352	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3(C)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105642062	842302115	/nfs/dbraw/zinc/30/21/15/842302115.db2.gz	HDFIHDDRMKDVKY-ZJSJBZJDSA-N	1	0	362.514	1.793	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3ccon3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105643482	842340162	/nfs/dbraw/zinc/34/01/62/842340162.db2.gz	ZCCNFDPTVYTGAJ-LFGUQSLTSA-N	1	0	359.470	1.597	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000760561052	842389871	/nfs/dbraw/zinc/38/98/71/842389871.db2.gz	LSVFAGVQJGCBGB-PMACEKPBSA-N	1	0	355.482	1.491	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)N(C)C)C2)[C@@H]1C(C)C	ZINC001105645917	842391581	/nfs/dbraw/zinc/39/15/81/842391581.db2.gz	DWRBGOHLMSNFLX-RNKNFESXSA-N	1	0	365.518	1.253	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@H]1C(C)C	ZINC001105645436	842394447	/nfs/dbraw/zinc/39/44/47/842394447.db2.gz	AQMVPBAVKYDPOJ-HNBVOPMISA-N	1	0	350.503	1.529	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCC(F)F)[C@H]2C(C)C)C[C@H]1O	ZINC001105645779	842396123	/nfs/dbraw/zinc/39/61/23/842396123.db2.gz	CSUFGWASXCYOGJ-KNCCTNLNSA-N	1	0	358.429	1.258	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3csc(=O)[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105646272	842405691	/nfs/dbraw/zinc/40/56/91/842405691.db2.gz	IFMJAWRYHHFJGW-LJGDNWOOSA-N	1	0	363.483	1.452	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCF)[C@H]2C(C)C)C[C@H]1O	ZINC001105653450	842454302	/nfs/dbraw/zinc/45/43/02/842454302.db2.gz	VBWLYKLQJXVHQC-FPAYPSAMSA-N	1	0	356.482	1.905	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc(C)n3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105653731	842464551	/nfs/dbraw/zinc/46/45/51/842464551.db2.gz	ZMFXVYVVHDYQHO-LBKNJMOBSA-N	1	0	358.486	1.332	20	30		FDEDRO
CCC1(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CC#CCOC)C3)[C@@H]2C(C)C)CC1	ZINC001105654782	842474862	/nfs/dbraw/zinc/47/48/62/842474862.db2.gz	BQLGLLNQTUHRMZ-DCXXXQMHSA-N	1	0	362.514	1.793	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3conc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105655065	842482225	/nfs/dbraw/zinc/48/22/25/842482225.db2.gz	DZRZUMYWDFOLCW-MLYOOKFZSA-N	1	0	359.470	1.840	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cscn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105655579	842484421	/nfs/dbraw/zinc/48/44/21/842484421.db2.gz	JHHZIHZMQWZFHT-ZAWLATJESA-N	1	0	361.511	1.675	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccn(C)c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105659524	842509984	/nfs/dbraw/zinc/50/99/84/842509984.db2.gz	OSVGTOMHFGKPHF-WERVVEIQSA-N	1	0	357.498	1.937	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(CC)o4)[C@@H]3C2)C1=O	ZINC001075955548	842599756	/nfs/dbraw/zinc/59/97/56/842599756.db2.gz	OULGUOJXCACUHE-BHYGNILZSA-N	1	0	357.454	1.775	20	30		FDEDRO
COCCn1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)n1	ZINC001088734072	842656515	/nfs/dbraw/zinc/65/65/15/842656515.db2.gz	FOLPFKNNNJTBPG-QAPCUYQASA-N	1	0	367.453	1.794	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)NC(C)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105661430	842702065	/nfs/dbraw/zinc/70/20/65/842702065.db2.gz	IPUPNKLJVAATHB-VIPLHTEESA-N	1	0	365.518	1.443	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(=O)N(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105661590	842718261	/nfs/dbraw/zinc/71/82/61/842718261.db2.gz	KJSFVMVWVVGTIY-SMOSDQRPSA-N	1	0	365.518	1.397	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3ncccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105663425	842810637	/nfs/dbraw/zinc/81/06/37/842810637.db2.gz	SUASZCAOANVAHY-SGLNWRHMSA-N	1	0	370.497	1.399	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH]nc3C3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105665591	843005632	/nfs/dbraw/zinc/00/56/32/843005632.db2.gz	ABSGDOLHOIEDSX-ZJSJBZJDSA-N	1	0	370.497	1.890	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN2c2nccs2)[C@@H](O)C1	ZINC001083669860	861384102	/nfs/dbraw/zinc/38/41/02/861384102.db2.gz	YDXTVJIVGNKRPC-KFWWJZLASA-N	1	0	350.488	1.239	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)cn2)CCN1Cc1cc(C#N)ccc1F	ZINC001088757698	843169190	/nfs/dbraw/zinc/16/91/90/843169190.db2.gz	KGXFEUQYIZSKHB-WBMJQRKESA-N	1	0	369.400	1.184	20	30		FDEDRO
C[NH+](C)Cc1ccc(N2CCN(C(=O)N[C@@H]3CCC[C@H]3C#N)CC2)nc1	ZINC000461965457	843260345	/nfs/dbraw/zinc/26/03/45/843260345.db2.gz	NGECRSUSLOODSV-DLBZAZTESA-N	1	0	356.474	1.667	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3cnccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105666744	843307061	/nfs/dbraw/zinc/30/70/61/843307061.db2.gz	JBBORQFXKJUCQV-RMVXJAJNSA-N	1	0	370.497	1.399	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCCC(N)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105666764	843318225	/nfs/dbraw/zinc/31/82/25/843318225.db2.gz	JLUZUYNPOQQQOH-XNFNUYLZSA-N	1	0	363.502	1.022	20	30		FDEDRO
C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C)n1cnc(C#N)n1	ZINC000913100641	861416492	/nfs/dbraw/zinc/41/64/92/861416492.db2.gz	TUVAQVZTCSCPAM-HLLBOEOZSA-N	1	0	352.442	1.738	20	30		FDEDRO
N#CCN1CCC[C@H](CNC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)C1	ZINC000478315310	843686544	/nfs/dbraw/zinc/68/65/44/843686544.db2.gz	VNIOIOVBDWPNQG-UXHICEINSA-N	1	0	370.497	1.629	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3[nH]cnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105667938	843725289	/nfs/dbraw/zinc/72/52/89/843725289.db2.gz	GRAYKLSKIMOFMG-JYBIWHBTSA-N	1	0	358.486	1.250	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CCCn2nc(C(=O)OC)cc21)C1CC[NH+](C)CC1	ZINC000898423291	844671540	/nfs/dbraw/zinc/67/15/40/844671540.db2.gz	SFAMCFARQBCUES-HNNXBMFYSA-N	1	0	373.457	1.244	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@@H]1O	ZINC001083505117	844931783	/nfs/dbraw/zinc/93/17/83/844931783.db2.gz	AUGDEDAKSHIQOV-QYZOEREBSA-N	1	0	356.470	1.094	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCn3cccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105672691	845203394	/nfs/dbraw/zinc/20/33/94/845203394.db2.gz	CSBNIKBAUZGASJ-HNBVOPMISA-N	1	0	358.486	1.263	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3ccnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105673770	845425465	/nfs/dbraw/zinc/42/54/65/845425465.db2.gz	OVLYPWRFHADLOH-JYBIWHBTSA-N	1	0	360.502	1.815	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1[N@H+](CCn1cncn1)CC2	ZINC000990743991	845506520	/nfs/dbraw/zinc/50/65/20/845506520.db2.gz	SMMUXJZQGIUUOA-VUHPKUFZSA-N	1	0	359.474	1.373	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccn(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105674671	845536258	/nfs/dbraw/zinc/53/62/58/845536258.db2.gz	IFWLUQACOGSYNE-SOAMZJECSA-N	1	0	360.502	1.966	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCCOCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105675015	845638521	/nfs/dbraw/zinc/63/85/21/845638521.db2.gz	LFSRZGUREZFAGB-LFGUQSLTSA-N	1	0	366.502	1.029	20	30		FDEDRO
O=C(NCC(F)(C(F)(F)F)C(F)(F)F)[C@@H]1C[N@@H+]2CCN1CCC2	ZINC000899097144	845758757	/nfs/dbraw/zinc/75/87/57/845758757.db2.gz	NFTWKGGGFPRKDO-QMMMGPOBSA-N	1	0	351.266	1.325	20	30		FDEDRO
C#CCN1C(=O)C[C@H]([N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3OC)C2)C1=O	ZINC000899245795	845990890	/nfs/dbraw/zinc/99/08/90/845990890.db2.gz	VNHITNVCRYNMOB-ZBFHGGJFSA-N	1	0	369.421	1.106	20	30		FDEDRO
CNC(=O)[C@H]1CCC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1	ZINC000111266105	846394348	/nfs/dbraw/zinc/39/43/48/846394348.db2.gz	MRDAKBUCMCKARA-DZGCQCFKSA-N	1	0	363.421	1.682	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](C[C@H](OC)C2CCCC2)C[C@@H]1O	ZINC001083526389	846412730	/nfs/dbraw/zinc/41/27/30/846412730.db2.gz	PMKYPLFUBUAYIG-NEWSRXKRSA-N	1	0	361.486	1.654	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CCOC(=O)CNS(=O)(=O)c1ccc(C#N)cc1	ZINC000913238618	861708863	/nfs/dbraw/zinc/70/88/63/861708863.db2.gz	CXSMGTPVYFVRBU-HNNXBMFYSA-N	1	0	365.455	1.254	20	30		FDEDRO
Cn1nc([N+](=O)[O-])cc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000481701508	846811328	/nfs/dbraw/zinc/81/13/28/846811328.db2.gz	DOSMXHVWOUKAFM-UHFFFAOYSA-N	1	0	368.397	1.616	20	30		FDEDRO
C=CCOC(=O)[C@H](CC(=O)N1CCC[N@@H+](C)CC1)NC(=O)OC(C)(C)C	ZINC000899934370	846906191	/nfs/dbraw/zinc/90/61/91/846906191.db2.gz	DICVHPCFNMVRID-AWEZNQCLSA-N	1	0	369.462	1.163	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(C)ccc2C)C[C@@H]1O	ZINC001083535275	846914389	/nfs/dbraw/zinc/91/43/89/846914389.db2.gz	JFPZKRZRDYBVMQ-AABGKKOBSA-N	1	0	355.482	1.062	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)[C@@H](O)C1	ZINC001083537170	846949910	/nfs/dbraw/zinc/94/99/10/846949910.db2.gz	GIKPBSWZIMVMRC-BDXSIMOUSA-N	1	0	362.474	1.015	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)[C@@H](O)C1	ZINC001083539894	847123488	/nfs/dbraw/zinc/12/34/88/847123488.db2.gz	ZBKMKZYPKOQTTJ-XYVMCAHJSA-N	1	0	362.474	1.108	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4cnco4)[C@@H]3C2)cc1	ZINC001076102898	847272223	/nfs/dbraw/zinc/27/22/23/847272223.db2.gz	XCQWGKXUJPMVQT-DOTOQJQBSA-N	1	0	352.394	1.923	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4cc(C(N)=O)co4)[C@@H]3C2)c1	ZINC001076231440	847584396	/nfs/dbraw/zinc/58/43/96/847584396.db2.gz	BKSQYLPRDIGMFG-DOTOQJQBSA-N	1	0	364.405	1.597	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+](CCc4cnn(CC)c4)C[C@H]32)c1	ZINC001076223344	847592422	/nfs/dbraw/zinc/59/24/22/847592422.db2.gz	UPBQQXCPHIYAEJ-AZUAARDMSA-N	1	0	363.465	1.668	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C(N)=O)cc3)C[C@H]21	ZINC001076262731	847720321	/nfs/dbraw/zinc/72/03/21/847720321.db2.gz	SUQOZMCXCJKLSM-MANSERQUSA-N	1	0	369.465	1.409	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccn(C(C)C)n4)[C@@H]3C2)C1=O	ZINC001076311758	847833486	/nfs/dbraw/zinc/83/34/86/847833486.db2.gz	FTCJTEIPJZICJV-RYQLBKOJSA-N	1	0	371.485	1.397	20	30		FDEDRO
CCCn1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)nn1	ZINC001076407349	848048064	/nfs/dbraw/zinc/04/80/64/848048064.db2.gz	ADFHOCYYBVEEMF-PKOBYXMFSA-N	1	0	364.453	1.906	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(C)cc4)[C@@H]3C2)C1=O	ZINC001076495995	848253387	/nfs/dbraw/zinc/25/33/87/848253387.db2.gz	YMZMMAQCTUAOMA-IPMKNSEASA-N	1	0	353.466	1.928	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CC1CC[NH+](C)CC1	ZINC001076490380	848268308	/nfs/dbraw/zinc/26/83/08/848268308.db2.gz	IUGFEPLQXCYCQH-UAGQMJEPSA-N	1	0	351.491	1.320	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(Cc4nc(C)oc4C)C[C@H]32)CC1	ZINC001076605873	848557453	/nfs/dbraw/zinc/55/74/53/848557453.db2.gz	XNHJLTORUDXDIW-AZUAARDMSA-N	1	0	370.497	1.669	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCNC2=O)C1	ZINC001112537510	848565067	/nfs/dbraw/zinc/56/50/67/848565067.db2.gz	KDLZBQVVHOJVSJ-JXFKEZNVSA-N	1	0	362.518	1.832	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)CCC[NH+]1CCCC1	ZINC001076909124	849304441	/nfs/dbraw/zinc/30/44/41/849304441.db2.gz	DRZTWLJJKWOMAF-LNLFQRSKSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn([C@@H](C)COC)nc2C)C1	ZINC001076997005	849517334	/nfs/dbraw/zinc/51/73/34/849517334.db2.gz	YXDHVABHVMZRLX-IAOVAPTHSA-N	1	0	350.463	1.140	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(C)ccc2C)C[C@H]1O	ZINC001077016191	849566186	/nfs/dbraw/zinc/56/61/86/849566186.db2.gz	DVRBRUJJVMSXFN-WTGUMLROSA-N	1	0	358.482	1.946	20	30		FDEDRO
N#Cc1cc(CN2C[C@@H](O)[C@H](NC(=O)C3C=CC=CC=C3)C2)ccc1F	ZINC001077074095	849690834	/nfs/dbraw/zinc/69/08/34/849690834.db2.gz	ODOIXIJFWVBKCG-RTBURBONSA-N	1	0	353.397	1.657	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccc(CC)cc2)C[C@H]1O	ZINC001077159181	849955346	/nfs/dbraw/zinc/95/53/46/849955346.db2.gz	SCHFUJFXXGFNHJ-QHAWAJNXSA-N	1	0	369.509	1.050	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@H]2O)cc1	ZINC001077245653	850232773	/nfs/dbraw/zinc/23/27/73/850232773.db2.gz	DITNCMBATWNIRU-QXAKKESOSA-N	1	0	360.454	1.595	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1O	ZINC001077246839	850237596	/nfs/dbraw/zinc/23/75/96/850237596.db2.gz	JHIZZHVKEHVPQO-KBAYOESNSA-N	1	0	360.454	1.595	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@@H]2O)cc1	ZINC001083578033	850916683	/nfs/dbraw/zinc/91/66/83/850916683.db2.gz	RPEXAJAUHNDQTR-LZQZEXGQSA-N	1	0	360.454	1.453	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(c1nc([C@H]3CC(=O)N(CC4CCC4)C3)no1)C2	ZINC000904098641	850954421	/nfs/dbraw/zinc/95/44/21/850954421.db2.gz	YDJQSUWFKIGTJK-RQMAVPSVSA-N	1	0	355.442	1.792	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O	ZINC001083578624	850963551	/nfs/dbraw/zinc/96/35/51/850963551.db2.gz	VAFVAVWXZKNQGJ-MSOLQXFVSA-N	1	0	360.454	1.453	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1	ZINC000668437467	851606649	/nfs/dbraw/zinc/60/66/49/851606649.db2.gz	JIRWJQMCSNZRDV-SFHVURJKSA-N	1	0	365.518	1.997	20	30		FDEDRO
CCOC(=O)C1CCC(O)(C[C@H](O)C[NH2+]CC#Cc2ccccc2)CC1	ZINC000905030803	851628273	/nfs/dbraw/zinc/62/82/73/851628273.db2.gz	JUUOPVBSEHLKEI-SCCNAQOGSA-N	1	0	359.466	1.863	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH2+]C[C@H](O)CCC3(O)CCC3)C2=O)cc1	ZINC000905202882	851745929	/nfs/dbraw/zinc/74/59/29/851745929.db2.gz	ORJUXQYTGXUVEI-MSOLQXFVSA-N	1	0	357.454	1.699	20	30		FDEDRO
C#Cc1cccc(C[NH2+]C[C@@H](O)CC2(O)CCC(C(=O)OCC)CC2)c1	ZINC000905282041	851814687	/nfs/dbraw/zinc/81/46/87/851814687.db2.gz	XSBGPPVEURCQAP-SCCNAQOGSA-N	1	0	359.466	1.993	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)cc1	ZINC000905447127	851925233	/nfs/dbraw/zinc/92/52/33/851925233.db2.gz	OPDFTXCCBUMANC-JQWIXIFHSA-N	1	0	354.275	1.446	20	30		FDEDRO
CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NCC#CC[NH+](C)C	ZINC000913519676	862304123	/nfs/dbraw/zinc/30/41/23/862304123.db2.gz	KEHKSMLOFYIUCZ-GOSISDBHSA-N	1	0	358.417	1.035	20	30		FDEDRO
C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)O2	ZINC000905486216	851987013	/nfs/dbraw/zinc/98/70/13/851987013.db2.gz	MYILTVDWPNLSSM-DQIJQRSUSA-N	1	0	360.454	1.860	20	30		FDEDRO
CC(C)(C)OC(=O)NC1CCN(CC[NH2+]C[C@H](O)CC2(C#N)CC2)CC1	ZINC000905527720	852020770	/nfs/dbraw/zinc/02/07/70/852020770.db2.gz	FAYODADTCWDQDE-MRXNPFEDSA-N	1	0	366.506	1.620	20	30		FDEDRO
CC(C)(C)OC(=O)NC1CCN(CC[NH2+]C[C@H](O)CC(C)(C)C#N)CC1	ZINC000905531430	852025019	/nfs/dbraw/zinc/02/50/19/852025019.db2.gz	ZITPWRGVZQDXRX-MRXNPFEDSA-N	1	0	368.522	1.866	20	30		FDEDRO
COc1cc(Br)cc(C[NH2+]C[C@@H](O)CN(C)CCC#N)c1	ZINC000905556817	852032453	/nfs/dbraw/zinc/03/24/53/852032453.db2.gz	QFQGYIJCIJTZCQ-CQSZACIVSA-N	1	0	356.264	1.754	20	30		FDEDRO
CS(=O)(=O)c1ccccc1CC[NH2+]C[C@H](O)COc1ccc(C#N)cc1	ZINC000905560412	852036186	/nfs/dbraw/zinc/03/61/86/852036186.db2.gz	MIYVYUVSFQWCOP-KRWDZBQOSA-N	1	0	374.462	1.534	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@H]2CCC3(CCOCC3)O2)c1	ZINC000905593313	852083622	/nfs/dbraw/zinc/08/36/22/852083622.db2.gz	GEQBJYVKTOAHIQ-MRXNPFEDSA-N	1	0	364.467	1.650	20	30		FDEDRO
COC(=O)[C@H]1C[C@@H]2C[C@H]([NH2+]CCS(=O)(=O)c3ccc(C#N)cc3)[C@@H]2C1	ZINC000905654405	852122191	/nfs/dbraw/zinc/12/21/91/852122191.db2.gz	OIWJAINGXANVIS-WTTBNOFXSA-N	1	0	362.451	1.509	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([NH2+][C@@H]3CCCN4CCSC[C@@H]34)C2=O)cc1	ZINC000905852059	852353243	/nfs/dbraw/zinc/35/32/43/852353243.db2.gz	BXOLKQPFQJLTLF-SQNIBIBYSA-N	1	0	356.495	1.833	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CCCN2CCSC[C@H]12)C(=O)NC1(C#N)CCCCC1	ZINC000905852301	852353309	/nfs/dbraw/zinc/35/33/09/852353309.db2.gz	HQPLLVQBLYNOTR-ARFHVFGLSA-N	1	0	350.532	1.887	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1	ZINC000668526674	852662885	/nfs/dbraw/zinc/66/28/85/852662885.db2.gz	MDJMJZAZIRSMAX-IIDMSEBBSA-N	1	0	353.532	1.791	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1	ZINC000668526677	852663111	/nfs/dbraw/zinc/66/31/11/852663111.db2.gz	MDJMJZAZIRSMAX-VKJFTORMSA-N	1	0	353.532	1.791	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(C(=O)Cc2ccccc2SCC)CC1	ZINC000906579178	853043238	/nfs/dbraw/zinc/04/32/38/853043238.db2.gz	QMTRCJOINJJZKB-UHFFFAOYSA-N	1	0	373.522	1.625	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)c1	ZINC000906769121	853291992	/nfs/dbraw/zinc/29/19/92/853291992.db2.gz	ZKSMGGNJVVKMCP-LJQANCHMSA-N	1	0	356.426	1.662	20	30		FDEDRO
CN1CC[N@H+](C)CC(C(=O)NC2CCN(c3ccccc3C#N)CC2)C1	ZINC000906810147	853329480	/nfs/dbraw/zinc/32/94/80/853329480.db2.gz	KGSFRRNPFBFIPA-UHFFFAOYSA-N	1	0	355.486	1.137	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)ccc1Br	ZINC000906935713	853534347	/nfs/dbraw/zinc/53/43/47/853534347.db2.gz	UUWYZWIYFKLACP-GFCCVEGCSA-N	1	0	370.272	1.789	20	30		FDEDRO
N#C[C@@]1(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)CC2CCC1CC2	ZINC000907204368	853912584	/nfs/dbraw/zinc/91/25/84/853912584.db2.gz	XMGXQUBYHSZLPR-UHYCVJNDSA-N	1	0	361.486	1.392	20	30		FDEDRO
C[C@H]1[C@@H](NS(=O)(=O)c2ccc(C#N)cn2)CCN1Cc1ccccc1	ZINC000907194759	853937565	/nfs/dbraw/zinc/93/75/65/853937565.db2.gz	RFYDSPQFDDOQOG-YOEHRIQHSA-N	1	0	356.451	1.895	20	30		FDEDRO
CCCCCCC[C@]1(C)NC(=O)N(NC(=O)C23CC[NH+](CC2)C3)C1=O	ZINC000907882528	854756634	/nfs/dbraw/zinc/75/66/34/854756634.db2.gz	LTUYYTRJYHZRLJ-KRWDZBQOSA-N	1	0	350.463	1.784	20	30		FDEDRO
CN1CC[N@H+](C)CC(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)C1	ZINC000908161715	855098624	/nfs/dbraw/zinc/09/86/24/855098624.db2.gz	KIZRKIFHIGROEP-UHFFFAOYSA-N	1	0	374.460	1.561	20	30		FDEDRO
N#Cc1ncn(-c2ccccc2NC(=O)C2C[NH+](C3CCOCC3)C2)n1	ZINC000908256673	855209338	/nfs/dbraw/zinc/20/93/38/855209338.db2.gz	MPYOKCDUXIAZGH-UHFFFAOYSA-N	1	0	352.398	1.188	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1OS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2	ZINC000908389268	855370576	/nfs/dbraw/zinc/37/05/76/855370576.db2.gz	GDUIMLVFAZJUAA-INIZCTEOSA-N	1	0	352.460	1.608	20	30		FDEDRO
C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C	ZINC000908633812	855633540	/nfs/dbraw/zinc/63/35/40/855633540.db2.gz	CXSAIABSXPSGHK-GJZGRUSLSA-N	1	0	367.490	1.968	20	30		FDEDRO
C=CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc[nH+]cc2)[C@H](C)C1	ZINC000908648355	855654996	/nfs/dbraw/zinc/65/49/96/855654996.db2.gz	IYLOITGUCYXFEQ-OAHLLOKOSA-N	1	0	364.457	1.975	20	30		FDEDRO
C=CCn1c(C2CCOCC2)nnc1N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1	ZINC000908680241	855673173	/nfs/dbraw/zinc/67/31/73/855673173.db2.gz	XUJUCOMDQJYLCY-IYBDPMFKSA-N	1	0	363.506	1.904	20	30		FDEDRO
C=CCn1c(-c2ncnc3[nH]cnc32)nnc1N(C)CC[NH+]1CCCCC1	ZINC000908714174	855718440	/nfs/dbraw/zinc/71/84/40/855718440.db2.gz	HNSLLLWKFINQJB-UHFFFAOYSA-N	1	0	367.461	1.671	20	30		FDEDRO
C=CCn1c(-c2ccc(=O)n(C)c2)nnc1N1CC[NH+](CC(C)C)CC1	ZINC000908735347	855729590	/nfs/dbraw/zinc/72/95/90/855729590.db2.gz	VIEDJCNQRZZICO-UHFFFAOYSA-N	1	0	356.474	1.608	20	30		FDEDRO
C=CCn1c(-c2ncon2)nnc1N1CCN(c2cc[nH+]cc2)[C@@H](C)C1	ZINC000908736292	855731212	/nfs/dbraw/zinc/73/12/12/855731212.db2.gz	IESVECYRJMSUHV-ZDUSSCGKSA-N	1	0	352.402	1.624	20	30		FDEDRO
C=CCn1c(-c2ccc(=O)n(C)c2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C	ZINC000908739869	855736004	/nfs/dbraw/zinc/73/60/04/855736004.db2.gz	DNQLSLIPCACPAK-DOTOQJQBSA-N	1	0	370.501	1.996	20	30		FDEDRO
C=C(C)Cn1c(-c2ncnc3[nH]cnc32)nnc1N1CCC[N@@H+](CC)CC1	ZINC000909312086	856427076	/nfs/dbraw/zinc/42/70/76/856427076.db2.gz	PPTLBLMCHXBYLX-UHFFFAOYSA-N	1	0	367.461	1.671	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	ZINC000909855095	856596849	/nfs/dbraw/zinc/59/68/49/856596849.db2.gz	BEXROFKXNYOQSU-UHFFFAOYSA-N	1	0	353.413	1.926	20	30		FDEDRO
COCC[N@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)[C@@H]1CCC[C@H]1C	ZINC000488010499	856979657	/nfs/dbraw/zinc/97/96/57/856979657.db2.gz	PUYFGSQGTHKBFZ-GUDVDZBRSA-N	1	0	364.534	1.816	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1	ZINC000910581057	857345614	/nfs/dbraw/zinc/34/56/14/857345614.db2.gz	QGLKXKLRDCOMNB-OAHLLOKOSA-N	1	0	360.483	1.665	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	ZINC000910600732	857395062	/nfs/dbraw/zinc/39/50/62/857395062.db2.gz	IIUGWXNWRQBGNI-NQIIRXRSSA-N	1	0	355.482	1.654	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1	ZINC000910679531	857511595	/nfs/dbraw/zinc/51/15/95/857511595.db2.gz	OWQPRFUOUPBTGJ-HNNXBMFYSA-N	1	0	374.510	1.768	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](C)[C@@H]2CCO)CC1	ZINC000668839621	857626928	/nfs/dbraw/zinc/62/69/28/857626928.db2.gz	ACQPVBIRCVSWFX-RDJZCZTQSA-N	1	0	351.491	1.153	20	30		FDEDRO
CC[C@@]1(C)CCN(C(=O)C(=O)N(c2ccc(C#N)cn2)[C@H]2CCC[NH2+]C2)C1	ZINC000910858672	857788015	/nfs/dbraw/zinc/78/80/15/857788015.db2.gz	RNBREBDGUGRNBH-JXFKEZNVSA-N	1	0	369.469	1.687	20	30		FDEDRO
C#CCN(C(=O)C(=O)N(C)CCOc1ccc(C)cc1)C1CC[NH+](C)CC1	ZINC000910884456	857834328	/nfs/dbraw/zinc/83/43/28/857834328.db2.gz	CSMQSXAKPLYSMH-UHFFFAOYSA-N	1	0	371.481	1.388	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CCC[C@]2(CC=CCC2)C1)C1CC[NH+](C)CC1	ZINC000910887050	857841002	/nfs/dbraw/zinc/84/10/02/857841002.db2.gz	YCQROXHGKUSSDP-OAQYLSRUSA-N	1	0	357.498	1.891	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCCCCC1CC[NH2+]CC1	ZINC000910951516	857923163	/nfs/dbraw/zinc/92/31/63/857923163.db2.gz	COTUDHQRUGNYGP-QZTJIDSGSA-N	1	0	365.518	1.760	20	30		FDEDRO
C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1	ZINC000669331591	862985345	/nfs/dbraw/zinc/98/53/45/862985345.db2.gz	MBSHAEJYHPXEEO-OAHLLOKOSA-N	1	0	356.478	1.714	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C[C@@H](C)O)C1CC1	ZINC000669334871	862999294	/nfs/dbraw/zinc/99/92/94/862999294.db2.gz	GKBASCSDJSNNJS-OIISXLGYSA-N	1	0	361.490	1.740	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1	ZINC000911384871	858548103	/nfs/dbraw/zinc/54/81/03/858548103.db2.gz	IPTOENQAQOMIAY-IKGGRYGDSA-N	1	0	363.502	1.512	20	30		FDEDRO
C=CCCC[C@@H](NC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)c1ccccc1	ZINC000911367171	858557597	/nfs/dbraw/zinc/55/75/97/858557597.db2.gz	XQTQGHOPNDROSV-YLJYHZDGSA-N	1	0	359.470	1.512	20	30		FDEDRO
C=CCCCCNC(=O)C(=O)NCc1ccc(CN2CC[NH2+]CC2)cc1	ZINC000911412345	858599906	/nfs/dbraw/zinc/59/99/06/858599906.db2.gz	GXSBDPOYQQYACN-UHFFFAOYSA-N	1	0	358.486	1.181	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1NC(=O)C[C@@]12CCN(C(=O)OC(C)(C)C)C2	ZINC000912262316	859517749	/nfs/dbraw/zinc/51/77/49/859517749.db2.gz	KBMPIJDKGPTHOZ-GOSISDBHSA-N	1	0	366.462	1.137	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCC[NH2+]Cc1cccnc1	ZINC000489490599	859954762	/nfs/dbraw/zinc/95/47/62/859954762.db2.gz	CKPJWXYIAAPENQ-UHFFFAOYSA-N	1	0	367.453	1.899	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@@H]2COC[C@@H]2C1	ZINC000669032220	860842048	/nfs/dbraw/zinc/84/20/48/860842048.db2.gz	DKGHHASDNTUBAA-TWMKSMIVSA-N	1	0	359.474	1.473	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@H]2COC[C@@H]2C1	ZINC000669032219	860842708	/nfs/dbraw/zinc/84/27/08/860842708.db2.gz	DKGHHASDNTUBAA-NXOAAHMSSA-N	1	0	359.474	1.473	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@H](COC)C1	ZINC000669034664	860850313	/nfs/dbraw/zinc/85/03/13/860850313.db2.gz	UUYAINICNSEXIM-BBWFWOEESA-N	1	0	361.490	1.863	20	30		FDEDRO
CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)[C@H](C)C1	ZINC001105793730	863220587	/nfs/dbraw/zinc/22/05/87/863220587.db2.gz	MAQZCKXUBINXKP-IIYDPXPESA-N	1	0	360.433	1.406	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@@H](O)COc2cccc3[nH]ccc32)CC1	ZINC000760832313	863318155	/nfs/dbraw/zinc/31/81/55/863318155.db2.gz	XGVSFFAWEVGZLQ-MRXNPFEDSA-N	1	0	355.438	1.369	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCC(C)=O)C[C@H]1C	ZINC001105825196	863389801	/nfs/dbraw/zinc/38/98/01/863389801.db2.gz	WKVUEQDCJQFNJG-SJLPKXTDSA-N	1	0	365.518	1.854	20	30		FDEDRO
COc1ccc(OC)c([C@@H](O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1	ZINC000760888574	863395098	/nfs/dbraw/zinc/39/50/98/863395098.db2.gz	MAIZEWRQUFYLII-INIZCTEOSA-N	1	0	359.430	1.479	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2coc(CCC)n2)C[C@H]1C	ZINC001106873285	881663343	/nfs/dbraw/zinc/66/33/43/881663343.db2.gz	WPTSBJLZECLQNI-QLFBSQMISA-N	1	0	362.474	1.616	20	30		FDEDRO
COCc1noc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)CSCC#N)C[C@H]2C)n1	ZINC001105845929	863474698	/nfs/dbraw/zinc/47/46/98/863474698.db2.gz	AJTLRVLMVRNAQI-JHJVBQTASA-N	1	0	367.475	1.218	20	30		FDEDRO
Cc1ncsc1CC[NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C	ZINC001105846450	863477831	/nfs/dbraw/zinc/47/78/31/863477831.db2.gz	VZDOTRLNHPRGIM-TZMCWYRMSA-N	1	0	352.529	1.935	20	30		FDEDRO
CC(C)c1nnc(C[NH2+]C[C@@H]2CN(C(=O)CSCC#N)C[C@H]2C)n1C	ZINC001105849066	863495439	/nfs/dbraw/zinc/49/54/39/863495439.db2.gz	CZHJTWZZPVGZKW-ZIAGYGMSSA-N	1	0	364.519	1.379	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CCOC(C)C)C[C@H]2C)C1=O	ZINC001105853582	863505777	/nfs/dbraw/zinc/50/57/77/863505777.db2.gz	CLELHUJTQPXZCH-ZACQAIPSSA-N	1	0	351.491	1.273	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)OCC)C[C@H]2C)c1	ZINC001105857246	863531980	/nfs/dbraw/zinc/53/19/80/863531980.db2.gz	JVMZPFHCKZJKCJ-SOLBZPMBSA-N	1	0	371.481	1.716	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCOCC(C)C)C[C@H]1C	ZINC001105866022	863539495	/nfs/dbraw/zinc/53/94/95/863539495.db2.gz	SCIJTYCXVRHEET-IXDOHACOSA-N	1	0	353.507	1.424	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2cc(OC)no2)C[C@H]1C(F)(F)F	ZINC001112109012	863651733	/nfs/dbraw/zinc/65/17/33/863651733.db2.gz	UQNZVTSGRIRQGU-CHWSQXEVSA-N	1	0	359.348	1.618	20	30		FDEDRO
CCCSCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CCC#N)[C@H](C)C1	ZINC001105885878	863661149	/nfs/dbraw/zinc/66/11/49/863661149.db2.gz	WXKPUVLBUUQAHX-HZPDHXFCSA-N	1	0	368.547	1.576	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(F)cc2OCC#N)CCCC1	ZINC000761006060	863671689	/nfs/dbraw/zinc/67/16/89/863671689.db2.gz	YDAXMCZOQAKYRC-UHFFFAOYSA-N	1	0	362.405	1.657	20	30		FDEDRO
CCCC(=O)NCC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1	ZINC001105891027	863709055	/nfs/dbraw/zinc/70/90/55/863709055.db2.gz	QHCYESVKLCUHHJ-IEBWSBKVSA-N	1	0	355.482	1.639	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)OCC)C[C@H]1C	ZINC001105899617	863790992	/nfs/dbraw/zinc/79/09/92/863790992.db2.gz	NANLWHPNDJWEQY-KZNAEPCWSA-N	1	0	367.534	1.910	20	30		FDEDRO
C#CCNS(=O)(=O)N1CCN(Cc2cc(C)nc3ccccc23)CC1	ZINC000761030776	863812763	/nfs/dbraw/zinc/81/27/63/863812763.db2.gz	MCKXZHLBOVKVES-UHFFFAOYSA-N	1	0	358.467	1.128	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(C)C)[C@H](C)C1	ZINC001105908883	863910530	/nfs/dbraw/zinc/91/05/30/863910530.db2.gz	BIVOQLMOOXUBNN-BRWVUGGUSA-N	1	0	353.507	1.424	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)n2CC)[C@H](C)C1	ZINC001105912495	863943019	/nfs/dbraw/zinc/94/30/19/863943019.db2.gz	FOOGQUSFXZNDFN-HLLBOEOZSA-N	1	0	363.506	1.772	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001105915838	863975059	/nfs/dbraw/zinc/97/50/59/863975059.db2.gz	WVULYGSNLPEWKO-YLJYHZDGSA-N	1	0	350.466	1.698	20	30		FDEDRO
C[C@H]1CN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC[N@@H+]1C	ZINC000761072589	864014874	/nfs/dbraw/zinc/01/48/74/864014874.db2.gz	UIVFOQWNVRCMNM-AWEZNQCLSA-N	1	0	353.388	1.809	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCOC2)C[C@H]1C	ZINC001105924519	864040873	/nfs/dbraw/zinc/04/08/73/864040873.db2.gz	UNZGVJPTPHLBIA-FGTMMUONSA-N	1	0	363.502	1.298	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)N2CCCCCC2)[C@H](C)C1	ZINC001105937993	864130063	/nfs/dbraw/zinc/13/00/63/864130063.db2.gz	KFUJAPXZXHTVQD-KZNAEPCWSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)CCC)C[C@H]1C	ZINC001105958340	864232864	/nfs/dbraw/zinc/23/28/64/864232864.db2.gz	CCCPCDHEONIKGK-RBSFLKMASA-N	1	0	352.479	1.119	20	30		FDEDRO
CCCCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CCC#N)[C@H](C)C1	ZINC001105966868	864260698	/nfs/dbraw/zinc/26/06/98/864260698.db2.gz	XMKZGMNLPNQGAR-IAGOWNOFSA-N	1	0	366.506	1.249	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)N(CC)CC)[C@H](C)C1	ZINC001105984672	864343583	/nfs/dbraw/zinc/34/35/83/864343583.db2.gz	VAZBKAMIPQFWAA-KZNAEPCWSA-N	1	0	367.534	1.910	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(CC(=O)Nc3ccccc3)[C@@H]2C)c1	ZINC001088846640	864551760	/nfs/dbraw/zinc/55/17/60/864551760.db2.gz	YPLDVDLJCGNCLD-BEFAXECRSA-N	1	0	362.433	1.894	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1CN([C@H](C)C(=O)NCc2ccccc2)C[C@H]1OC	ZINC001212185486	864627999	/nfs/dbraw/zinc/62/79/99/864627999.db2.gz	UZNFHGULRKXQPQ-BHIYHBOVSA-N	1	0	371.481	1.310	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@]2(C)CCNC2=O)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088854987	864696477	/nfs/dbraw/zinc/69/64/77/864696477.db2.gz	KUOSUKRHMCTWKQ-CFLQYTFWSA-N	1	0	370.453	1.194	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C)C(=O)NC1CCCC1	ZINC001106021170	864724468	/nfs/dbraw/zinc/72/44/68/864724468.db2.gz	SEJSSVVDJKVHTL-RBSFLKMASA-N	1	0	371.485	1.631	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)SC)C[C@H]1C	ZINC001106024418	864778397	/nfs/dbraw/zinc/77/83/97/864778397.db2.gz	FRAVFOMWYWRNSD-OWCLPIDISA-N	1	0	368.547	1.574	20	30		FDEDRO
COc1ccc(CN2CC[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)[C@H]2C)cc1C#N	ZINC001088859372	864781410	/nfs/dbraw/zinc/78/14/10/864781410.db2.gz	ALKCDPLSHCSVFT-FCEWJHQRSA-N	1	0	370.497	1.988	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+][C@H](C)c2ccccc2C)[C@H](C)C1	ZINC001106035281	864916396	/nfs/dbraw/zinc/91/63/96/864916396.db2.gz	QCKXPDFBWIYIAU-KZNAEPCWSA-N	1	0	355.482	1.880	20	30		FDEDRO
C[NH+]1CCN(C[C@@H](NS(=O)(=O)CC2(C#N)CC2)c2ccccc2)CC1	ZINC000766043329	881818604	/nfs/dbraw/zinc/81/86/04/881818604.db2.gz	RBRKBUXLVXYPLC-QGZVFWFLSA-N	1	0	362.499	1.198	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(C(N)=O)c2)[C@H](C)C1	ZINC001106059175	865069375	/nfs/dbraw/zinc/06/93/75/865069375.db2.gz	OENUAOXRLMLEEK-ZTQAJYAQSA-N	1	0	359.470	1.297	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nnc(C(C)C)o2)[C@H](C)C1	ZINC001106058568	865072351	/nfs/dbraw/zinc/07/23/51/865072351.db2.gz	FAVYVEYCSROSAF-HBUWYVDXSA-N	1	0	350.463	1.704	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]Cc2nnc3n2CCCCC3)[C@H](C)C1	ZINC001106065983	865120925	/nfs/dbraw/zinc/12/09/25/865120925.db2.gz	QJBQBDXXVGSDHN-IAGOWNOFSA-N	1	0	357.502	1.992	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1	ZINC001060395092	865133294	/nfs/dbraw/zinc/13/32/94/865133294.db2.gz	SEKYCPONILWQTB-KURKYZTESA-N	1	0	365.518	1.664	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+](CCN3CCCC3=O)[C@@H]2C)cc1	ZINC001088906778	865370290	/nfs/dbraw/zinc/37/02/90/865370290.db2.gz	LKRYEHIKUQQEFY-APWZRJJASA-N	1	0	369.465	1.514	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2nc3ncccn3n2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088931660	865527833	/nfs/dbraw/zinc/52/78/33/865527833.db2.gz	OHPOZUUTFPOZJG-CJNGLKHVSA-N	1	0	361.409	1.389	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088944045	865622223	/nfs/dbraw/zinc/62/22/23/865622223.db2.gz	MUXPDGLUGGLFHS-WBMJQRKESA-N	1	0	351.410	1.378	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)CC1	ZINC000067846002	865677451	/nfs/dbraw/zinc/67/74/51/865677451.db2.gz	AYDAQSPZHZFJFG-LJQANCHMSA-N	1	0	369.465	1.766	20	30		FDEDRO
CC(C)Cc1c[nH]c(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)c1	ZINC001106883867	881895363	/nfs/dbraw/zinc/89/53/63/881895363.db2.gz	MRQOFSJYQKTKRR-GDBMZVCRSA-N	1	0	359.474	1.151	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCCOc2ccccc2)C[C@H]1OC	ZINC001212193364	865947071	/nfs/dbraw/zinc/94/70/71/865947071.db2.gz	DDPHHJFHSSAGOX-QWFCFKBJSA-N	1	0	362.470	1.598	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCn3nc(C)cc3C)[C@@H]2C)nc1	ZINC001088990738	865949732	/nfs/dbraw/zinc/94/97/32/865949732.db2.gz	NHKYOBYWQIQXPN-AEFFLSMTSA-N	1	0	351.454	1.769	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](C[C@H]2CCc3ncnn32)[C@@H]1C	ZINC001089006500	866012905	/nfs/dbraw/zinc/01/29/05/866012905.db2.gz	IKQFLWHPQWKXSM-LZQZEXGQSA-N	1	0	363.465	1.568	20	30		FDEDRO
CCN1CCO[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)C1	ZINC001089052964	866322842	/nfs/dbraw/zinc/32/28/42/866322842.db2.gz	GAHKIDQFBLGDJR-MNEFBYGVSA-N	1	0	356.470	1.358	20	30		FDEDRO
CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C	ZINC001089065559	866416151	/nfs/dbraw/zinc/41/61/51/866416151.db2.gz	PYUAZHIIEOGCJB-MDASCCDHSA-N	1	0	354.454	1.648	20	30		FDEDRO
COc1ccc(C[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)cc1C#N	ZINC000174275752	866477441	/nfs/dbraw/zinc/47/74/41/866477441.db2.gz	PNTQYQPTSCXDFG-UHFFFAOYSA-N	1	0	352.394	1.072	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1	ZINC000991982694	866796127	/nfs/dbraw/zinc/79/61/27/866796127.db2.gz	RAONEIPBHWOQJW-BZSNNMDCSA-N	1	0	361.486	1.027	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C1	ZINC000991986270	866825252	/nfs/dbraw/zinc/82/52/52/866825252.db2.gz	ACVZVCFORCJMCC-KSZLIROESA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(C(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000991988567	866863065	/nfs/dbraw/zinc/86/30/65/866863065.db2.gz	RBPBXTFUVYKBMM-ROUUACIJSA-N	1	0	368.437	1.646	20	30		FDEDRO
C=C(C)[C@H]1OCCC[C@H]1C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1	ZINC000457548253	867553875	/nfs/dbraw/zinc/55/38/75/867553875.db2.gz	XPZMPVYEMQSVQC-RTBURBONSA-N	1	0	373.497	1.966	20	30		FDEDRO
Cc1cc(C(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ncc1C#N	ZINC000457755699	867671808	/nfs/dbraw/zinc/67/18/08/867671808.db2.gz	YOIGRBZVGZOCJZ-OAQYLSRUSA-N	1	0	364.449	1.971	20	30		FDEDRO
C=CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000669818403	867781771	/nfs/dbraw/zinc/78/17/71/867781771.db2.gz	ZOCMWZLYXXXKIT-IRXDYDNUSA-N	1	0	361.490	1.517	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC2(F)F)C[C@H]1C	ZINC001106088582	867908846	/nfs/dbraw/zinc/90/88/46/867908846.db2.gz	ACLIGYLPYOOTDY-MGPQQGTHSA-N	1	0	356.417	1.088	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000428786508	867923023	/nfs/dbraw/zinc/92/30/23/867923023.db2.gz	NULBDLYPYRMPGM-IDHHARJASA-N	1	0	355.442	1.849	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H](OC)c3ccccc3)C[C@H]2O)cc1	ZINC001077493785	867961702	/nfs/dbraw/zinc/96/17/02/867961702.db2.gz	KJYCUPCWMHGZTK-NJDAHSKKSA-N	1	0	364.445	1.831	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]Cc2ccc3oc(=O)n(C)c3c2)[C@H](C)C1	ZINC001106102091	868110589	/nfs/dbraw/zinc/11/05/89/868110589.db2.gz	PBFHDAFCCYOZFB-NVXWUHKLSA-N	1	0	369.465	1.975	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NCc2ccco2)[C@H](C)C1	ZINC001106104578	868131306	/nfs/dbraw/zinc/13/13/06/868131306.db2.gz	ATMRMMFMKDNLGM-IXDOHACOSA-N	1	0	359.470	1.628	20	30		FDEDRO
N#Cc1cc(C[N@@H+]2CC[C@]3(NC(=O)[C@H]4C[C@H]4C(N)=O)CCC[C@H]23)ccc1F	ZINC000992177240	868172713	/nfs/dbraw/zinc/17/27/13/868172713.db2.gz	JJSPJNCOBSUQHI-TXDAXLQXSA-N	1	0	370.428	1.432	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1ccn(C)c(=O)c1)CC2	ZINC000992183759	868209911	/nfs/dbraw/zinc/20/99/11/868209911.db2.gz	UQJUSASYMFSGSQ-OEMYIYORSA-N	1	0	371.481	1.590	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@](C(=O)OC)(c2ccccc2)C1	ZINC000428799925	868228757	/nfs/dbraw/zinc/22/87/57/868228757.db2.gz	KYEWTRMYZBFPHY-KUHUBIRLSA-N	1	0	359.426	1.203	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NCC[NH+]2CCCC2)ccc1OC(F)(F)F	ZINC000443268968	868238197	/nfs/dbraw/zinc/23/81/97/868238197.db2.gz	BVZIXZSLXYABSF-UHFFFAOYSA-N	1	0	370.331	1.607	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C[NH2+]Cc1nnc2n1CCOC2	ZINC001106109811	868312866	/nfs/dbraw/zinc/31/28/66/868312866.db2.gz	WQLKOEWXJPAMHQ-HUUCEWRRSA-N	1	0	359.474	1.042	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C[NH2+]C[C@@H]1CCS(=O)(=O)C1	ZINC001106109783	868313119	/nfs/dbraw/zinc/31/31/19/868313119.db2.gz	USLMMVMZVJBXSY-OWCLPIDISA-N	1	0	354.516	1.155	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cccc(OCC)n2)[C@H](C)C1	ZINC001106111218	868388624	/nfs/dbraw/zinc/38/86/24/868388624.db2.gz	IXPWQSWHVBRITK-BRWVUGGUSA-N	1	0	359.470	1.703	20	30		FDEDRO
COC(=O)[C@]1(c2ccccc2)CC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1	ZINC000428810902	868476096	/nfs/dbraw/zinc/47/60/96/868476096.db2.gz	YVUAIXUALYZOQQ-MGPUTAFESA-N	1	0	355.438	1.754	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2cccc(N(C)C)c2)[C@H](C)C1	ZINC001106114570	868497775	/nfs/dbraw/zinc/49/77/75/868497775.db2.gz	CTRZNBPQXVKOIH-IEBWSBKVSA-N	1	0	357.498	1.977	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2ccc3c(c2)nnn3C)[C@H](C)C1	ZINC001106114751	868505462	/nfs/dbraw/zinc/50/54/62/868505462.db2.gz	ITODSVLSTDXOQM-NVXWUHKLSA-N	1	0	369.469	1.192	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2N(C)C)[C@H](C)C1	ZINC001106115289	868522156	/nfs/dbraw/zinc/52/21/56/868522156.db2.gz	SEFLSYBTSQONNM-IEBWSBKVSA-N	1	0	357.498	1.977	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2csnc2OC)[C@H](C)C1	ZINC001106116800	868575683	/nfs/dbraw/zinc/57/56/83/868575683.db2.gz	NRGRKINHGVUFNQ-HZSPNIEDSA-N	1	0	351.472	1.374	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCCOCCC=C)C[C@H]1C	ZINC001106123651	868896242	/nfs/dbraw/zinc/89/62/42/868896242.db2.gz	WPNXBPRGNGUSDH-QZTJIDSGSA-N	1	0	363.502	1.183	20	30		FDEDRO
C=CCCOCCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCC)[C@H](C)C1	ZINC001106123691	868897470	/nfs/dbraw/zinc/89/74/70/868897470.db2.gz	YCTYMKTVTRCIDU-QZTJIDSGSA-N	1	0	367.534	1.960	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)N2CCCCC2=O)C[C@H]1C	ZINC001106124540	868918695	/nfs/dbraw/zinc/91/86/95/868918695.db2.gz	SYNUHAAOGHZZBC-FGTMMUONSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cnc(OC(C)C)cn2)C[C@H]1C	ZINC001106131077	869317404	/nfs/dbraw/zinc/31/74/04/869317404.db2.gz	LWDHDNZXEDCIHL-HZPDHXFCSA-N	1	0	362.474	1.764	20	30		FDEDRO
C[N@@H+]1CCC[C@@](O)(CC(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)C1	ZINC000913725030	869504738	/nfs/dbraw/zinc/50/47/38/869504738.db2.gz	QKWCUTHQNVPSRU-LJQANCHMSA-N	1	0	353.426	1.588	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CC[C@H](c2cc(=O)[nH]c(N3CCCC3)n2)C1	ZINC000913787427	869637230	/nfs/dbraw/zinc/63/72/30/869637230.db2.gz	AVDUUZIQJMQTJC-HNNXBMFYSA-N	1	0	359.474	1.606	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC2CCN(C(=O)c3ccccc3)CC2)CC1	ZINC000913960289	870138401	/nfs/dbraw/zinc/13/84/01/870138401.db2.gz	CQBBMFDUTOYZDH-UHFFFAOYSA-N	1	0	368.481	1.688	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCOc2cccc(NC(C)=O)c2)CC1	ZINC000916772575	882389076	/nfs/dbraw/zinc/38/90/76/882389076.db2.gz	HEPIELAOHPVQSB-UHFFFAOYSA-N	1	0	358.442	1.421	20	30		FDEDRO
CCN1CC[NH+](CCCCNC(=O)N2C[C@@H](C)N(CC#N)[C@H](C)C2)CC1	ZINC000914100573	870754802	/nfs/dbraw/zinc/75/48/02/870754802.db2.gz	HHXFOCDQXOCUPX-QZTJIDSGSA-N	1	0	364.538	1.032	20	30		FDEDRO
N#Cc1cc(CS(=O)(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cs1	ZINC000914115158	870865335	/nfs/dbraw/zinc/86/53/35/870865335.db2.gz	SWKPOQQBWPFVSN-HNNXBMFYSA-N	1	0	369.512	1.683	20	30		FDEDRO
CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC001033428183	882501710	/nfs/dbraw/zinc/50/17/10/882501710.db2.gz	QHTLIZJQNNRCRT-FGTMMUONSA-N	1	0	354.454	1.493	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccncc2)C[C@H]1C	ZINC001106148383	871385973	/nfs/dbraw/zinc/38/59/73/871385973.db2.gz	MSGIUMNTOJMUKW-NRSFXHEJSA-N	1	0	356.470	1.171	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)C)[C@H](C)C1	ZINC001106147311	871403834	/nfs/dbraw/zinc/40/38/34/871403834.db2.gz	XCBJMQHVPKOOBX-VQHPVUNQSA-N	1	0	351.491	1.176	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2coc(S(C)(=O)=O)c2)C[C@H]1C	ZINC001106152221	871432757	/nfs/dbraw/zinc/43/27/57/871432757.db2.gz	KSCKEJKCAFSPGC-UKRRQHHQSA-N	1	0	354.472	1.947	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C)nc1	ZINC000994389496	882518768	/nfs/dbraw/zinc/51/87/68/882518768.db2.gz	JHBWGPNNNVSGCH-NVXWUHKLSA-N	1	0	368.481	1.372	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(=O)CC)C[C@H]1C	ZINC001106163302	871514574	/nfs/dbraw/zinc/51/45/74/871514574.db2.gz	QWWBASACKAHFMW-KURKYZTESA-N	1	0	365.518	1.664	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(OC)cc2C)C[C@H]1C	ZINC001106175544	871578773	/nfs/dbraw/zinc/57/87/73/871578773.db2.gz	JSDPXGUKCZPVGS-IEBWSBKVSA-N	1	0	358.482	1.880	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cnccn2)[C@H](C)C1	ZINC001106175644	871580418	/nfs/dbraw/zinc/58/04/18/871580418.db2.gz	OLNNBPCSMFMPKL-NVXWUHKLSA-N	1	0	371.485	1.868	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccnn2C(F)F)C[C@H]1C	ZINC001106178952	871627368	/nfs/dbraw/zinc/62/73/68/871627368.db2.gz	BZHCBANERUBJDT-JHJVBQTASA-N	1	0	369.416	1.267	20	30		FDEDRO
C=C[C@@H](C(=O)N1CC(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1)c1ccccc1	ZINC001002881209	871651307	/nfs/dbraw/zinc/65/13/07/871651307.db2.gz	YEJMSUPENCTLLZ-ATZDWAIDSA-N	1	0	371.481	1.250	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000672781953	871706803	/nfs/dbraw/zinc/70/68/03/871706803.db2.gz	UFSQKSZGVJLYMO-SJLPKXTDSA-N	1	0	364.534	1.474	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccc(-n3ccnc3C)nc2)CC1	ZINC000914289478	872194311	/nfs/dbraw/zinc/19/43/11/872194311.db2.gz	OFPCHJIBJBDNFR-UHFFFAOYSA-N	1	0	352.442	1.473	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]2C)cc1	ZINC000994406140	882619250	/nfs/dbraw/zinc/61/92/50/882619250.db2.gz	SERYFZNXPZQWJE-SQGPQFPESA-N	1	0	367.493	1.834	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)C1	ZINC001033496848	882626581	/nfs/dbraw/zinc/62/65/81/882626581.db2.gz	HVRKUBNQAOWTKW-AOIWGVFYSA-N	1	0	359.470	1.399	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2C)cc1	ZINC000994410151	882637075	/nfs/dbraw/zinc/63/70/75/882637075.db2.gz	FLKAYDIUSISFDU-YVWKXTFCSA-N	1	0	367.493	1.834	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnc3cccnn31)C2	ZINC001112541791	872857466	/nfs/dbraw/zinc/85/74/66/872857466.db2.gz	PEVYZWICHZCNSK-JXFKEZNVSA-N	1	0	367.453	1.211	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@H]2CCOC2)[C@H](C)C1	ZINC001106181206	873018522	/nfs/dbraw/zinc/01/85/22/873018522.db2.gz	KRCNBPYHYYEHMX-BRWVUGGUSA-N	1	0	365.518	1.426	20	30		FDEDRO
C=CCN1CC[C@H]([NH+]2CCC(NC(=O)[C@]34CCC[C@H]3OCC4)CC2)C1=O	ZINC001003297497	873023751	/nfs/dbraw/zinc/02/37/51/873023751.db2.gz	USOBUUHDWHXINC-QKLQHJQFSA-N	1	0	361.486	1.313	20	30		FDEDRO
C=CCCn1cc(CN[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)nn1	ZINC000657344724	873230479	/nfs/dbraw/zinc/23/04/79/873230479.db2.gz	BETAAXUHCKXLIC-FQEVSTJZSA-N	1	0	354.502	1.933	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1	ZINC001003396348	873330575	/nfs/dbraw/zinc/33/05/75/873330575.db2.gz	FODZHJRQTJECNH-MKXGPGLRSA-N	1	0	357.498	1.911	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3C(C)(C)C)C2)CC1	ZINC001003439551	873425420	/nfs/dbraw/zinc/42/54/20/873425420.db2.gz	YFZYPFRPUQOKFT-QZTJIDSGSA-N	1	0	359.514	1.588	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)C)[C@H](C)C1)OCC	ZINC001106197249	873453673	/nfs/dbraw/zinc/45/36/73/873453673.db2.gz	NJLKBWKTQKCXCT-BRWVUGGUSA-N	1	0	353.507	1.566	20	30		FDEDRO
C[C@@H]1[C@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC[N@@H+]1C	ZINC000922184996	873562783	/nfs/dbraw/zinc/56/27/83/873562783.db2.gz	VLEAWVXBLKGNFG-KBRIMQKVSA-N	1	0	355.442	1.051	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)c4cc[nH]c4)C[C@]3(C)C2)CC1	ZINC000993016529	873688897	/nfs/dbraw/zinc/68/88/97/873688897.db2.gz	SDUOJJYUCFTZMP-NQIIRXRSSA-N	1	0	368.481	1.280	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)/C(C)=C/C)C[C@@]3(C)C2)CC1	ZINC000993020346	873711216	/nfs/dbraw/zinc/71/12/16/873711216.db2.gz	OMSJEOHHQSKHHW-MHGDJCSBSA-N	1	0	357.498	1.605	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](N(C)c3ccnc(C#N)n3)C2)CC[N@@H+]1C	ZINC001061281121	873728984	/nfs/dbraw/zinc/72/89/84/873728984.db2.gz	OLKCLPLZIAJPGO-OWCLPIDISA-N	1	0	356.474	1.506	20	30		FDEDRO
C[NH+](C)[C@H](C(=O)N1C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@]2(C)C1)C1CC1	ZINC000993026426	873751681	/nfs/dbraw/zinc/75/16/81/873751681.db2.gz	RHPYQPQBHGELCW-LIVBEALHSA-N	1	0	369.469	1.147	20	30		FDEDRO
CC(C)c1ccccc1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106211502	873810966	/nfs/dbraw/zinc/81/09/66/873810966.db2.gz	KCJOBZQOSVCJNI-HZPDHXFCSA-N	1	0	356.470	1.747	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1	ZINC000993040368	873849733	/nfs/dbraw/zinc/84/97/33/873849733.db2.gz	NIRRLOIGFMLMKZ-LZJOCLMNSA-N	1	0	370.497	1.546	20	30		FDEDRO
N#Cc1ccc(C[NH+]2CCC(NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)cc1	ZINC001003642206	873905399	/nfs/dbraw/zinc/90/53/99/873905399.db2.gz	NPSOZFOYYNNXRO-SJORKVTESA-N	1	0	354.454	1.540	20	30		FDEDRO
C#CCN(C(=O)NC[C@@H]1CCO[C@H]1c1ccnn1C)C1CC[NH+](C)CC1	ZINC000922231420	873977211	/nfs/dbraw/zinc/97/72/11/873977211.db2.gz	NLZHCEBWZKXNFB-MAUKXSAKSA-N	1	0	359.474	1.237	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3conc3C)[C@H](C)C2)CCOCC1	ZINC001106232998	874039923	/nfs/dbraw/zinc/03/99/23/874039923.db2.gz	UGRCZVJWQPRLPZ-NVXWUHKLSA-N	1	0	359.470	1.987	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCCCOC)[C@H](C)C2)CCC1	ZINC001106236271	874061894	/nfs/dbraw/zinc/06/18/94/874061894.db2.gz	IMIJFPDFZIROCT-IAGOWNOFSA-N	1	0	363.502	1.017	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]CCCCOC)[C@H](C)C2)CCOCC1	ZINC001106236133	874062338	/nfs/dbraw/zinc/06/23/38/874062338.db2.gz	BEDCENVJWDAJJX-QZTJIDSGSA-N	1	0	350.503	1.917	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]C[C@@H](O)COCC(C)C)[C@H](C)C2)CCC1	ZINC001106236479	874062998	/nfs/dbraw/zinc/06/29/98/874062998.db2.gz	QNQPZWVJKZQOPY-GUDVDZBRSA-N	1	0	364.530	1.898	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)Cc1ccccc1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001060496725	874181234	/nfs/dbraw/zinc/18/12/34/874181234.db2.gz	FUBBTFIYNMYSDR-IIDMSEBBSA-N	1	0	356.470	1.761	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCc2ccns2)[C@H](C)C1	ZINC001106266565	874261867	/nfs/dbraw/zinc/26/18/67/874261867.db2.gz	QVWDHADNHDKFFA-NUJGCVRESA-N	1	0	360.527	1.467	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cncc3ncn(C)c32)C[C@H]1C	ZINC001106271636	874310655	/nfs/dbraw/zinc/31/06/55/874310655.db2.gz	JJMZCNHHIQQMGZ-HUUCEWRRSA-N	1	0	357.458	1.469	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C[C@H]1C	ZINC001106274862	874340434	/nfs/dbraw/zinc/34/04/34/874340434.db2.gz	YYEHMWVXACQGPH-YWTNHNAXSA-N	1	0	358.486	1.688	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1C	ZINC001106283538	874433560	/nfs/dbraw/zinc/43/35/60/874433560.db2.gz	ULNBRGRMVIWASV-RAIGVLPGSA-N	1	0	358.280	1.105	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C2CCC2)C[C@H]1C	ZINC001106305641	874666990	/nfs/dbraw/zinc/66/69/90/874666990.db2.gz	DXSAIGCCFCPNTM-IIAWOOMASA-N	1	0	364.490	1.119	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccsc2COC)C[C@H]1C	ZINC001106317437	874746200	/nfs/dbraw/zinc/74/62/00/874746200.db2.gz	AHFOTUAYYGURNS-ZIAGYGMSSA-N	1	0	365.499	1.494	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cn3c(n2)CC[C@H](C)C3)C[C@H]1C	ZINC001106313662	874752181	/nfs/dbraw/zinc/75/21/81/874752181.db2.gz	AFJHJVFTMKBYTP-GVDBMIGSSA-N	1	0	360.502	1.966	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C/C=C\c2ccccc2F)C[C@H]1C	ZINC001106313987	874753343	/nfs/dbraw/zinc/75/33/43/874753343.db2.gz	DSZRDKZLZVIKGI-MBOQALFDSA-N	1	0	371.456	1.663	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccsc2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106316135	874759539	/nfs/dbraw/zinc/75/95/39/874759539.db2.gz	FQLSWPRMIYGNLL-DMRZNYOFSA-N	1	0	360.483	1.175	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)C2CCCC2)C[C@H]1C	ZINC001106328281	874793141	/nfs/dbraw/zinc/79/31/41/874793141.db2.gz	FAOHFYSUZAVULB-TZMCWYRMSA-N	1	0	362.923	1.780	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cnc3ccccn3c2=O)C[C@H]1C	ZINC001106328915	874795921	/nfs/dbraw/zinc/79/59/21/874795921.db2.gz	RMDIKPUYAGEEDZ-TZMCWYRMSA-N	1	0	360.845	1.745	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2cccn2)[C@@H](n2ccnn2)C1	ZINC001128723861	882878314	/nfs/dbraw/zinc/87/83/14/882878314.db2.gz	IUGSMXRSKCMNRK-ZACQAIPSSA-N	1	0	357.462	1.261	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccncc2)C[C@H]1C	ZINC001106368378	874952076	/nfs/dbraw/zinc/95/20/76/874952076.db2.gz	SODQULDTSNANKH-NVXWUHKLSA-N	1	0	369.469	1.972	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(=O)n(CCOC)c2)C[C@H]1C	ZINC001106370431	874956499	/nfs/dbraw/zinc/95/64/99/874956499.db2.gz	NCCAGKDSYVBEHP-CZUORRHYSA-N	1	0	367.877	1.545	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@]2(C)C1	ZINC000993155668	875079266	/nfs/dbraw/zinc/07/92/66/875079266.db2.gz	BRONDEQBPAZQAP-KSMMKXTCSA-N	1	0	355.442	1.228	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2ccc(C)cc2)C[C@H]1C	ZINC001106400050	875101304	/nfs/dbraw/zinc/10/13/04/875101304.db2.gz	GGMFFWWOUHCZDK-IEBWSBKVSA-N	1	0	357.498	1.914	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNS(=O)(=O)Cc2csc(C#N)c2)CCCO1	ZINC000914989753	875122830	/nfs/dbraw/zinc/12/28/30/875122830.db2.gz	PIQNFTCLPRISLB-CYBMUJFWSA-N	1	0	357.501	1.540	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2nc3cnccc3s2)C[C@H]1C	ZINC001106408166	875138339	/nfs/dbraw/zinc/13/83/39/875138339.db2.gz	SMEQXICXDVTTTF-ZIAGYGMSSA-N	1	0	358.467	1.639	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cc(C(F)F)nn2C)C[C@H]1C	ZINC001106421039	875209506	/nfs/dbraw/zinc/20/95/06/875209506.db2.gz	VQRKSDJOTYHIIH-CHWSQXEVSA-N	1	0	356.417	1.858	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C(C)(C)COC)C[C@H]2C)C1=O	ZINC001106431008	875277408	/nfs/dbraw/zinc/27/74/08/875277408.db2.gz	LQEVWHYXAUURNF-OAGGEKHMSA-N	1	0	351.491	1.130	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cncc(CC)c2)C[C@H]1C	ZINC001106431975	875284912	/nfs/dbraw/zinc/28/49/12/875284912.db2.gz	OPAYOAHRRXSNEO-IIDMSEBBSA-N	1	0	356.470	1.080	20	30		FDEDRO
CC1CCN(C(=[NH2+])NCCC(=O)N2CCN(c3ccccc3)CC2)CC1	ZINC000303267341	875294524	/nfs/dbraw/zinc/29/45/24/875294524.db2.gz	XCDGCDBFTKGICV-UHFFFAOYSA-N	1	0	357.502	1.772	20	30		FDEDRO
C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(S(=O)(=O)CC(C)(C)C#N)C1	ZINC000915053036	875338638	/nfs/dbraw/zinc/33/86/38/875338638.db2.gz	KLIUUYNHOJXDIZ-INIZCTEOSA-N	1	0	350.488	1.715	20	30		FDEDRO
CN(C)C(=O)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccccc2C#N)C1	ZINC001112542523	882935898	/nfs/dbraw/zinc/93/58/98/882935898.db2.gz	CNLLBRUOPSPIBZ-RXVVDRJESA-N	1	0	368.481	1.755	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106465406	875507884	/nfs/dbraw/zinc/50/78/84/875507884.db2.gz	LYPKGXMVZCHBOV-QLVMHMETSA-N	1	0	371.456	1.388	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](OCC)C2CCCC2)C[C@H]1C	ZINC001106487031	875625845	/nfs/dbraw/zinc/62/58/45/875625845.db2.gz	OATMULXAVIXSGW-SUMDDJOVSA-N	1	0	365.518	1.568	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(C3CCC3)CCC2)C[C@H]1C	ZINC001106487857	875651949	/nfs/dbraw/zinc/65/19/49/875651949.db2.gz	BSGDVLGAEZQIDH-IXDOHACOSA-N	1	0	359.514	1.779	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(F)ccc2C)C[C@H]1C	ZINC001106494528	875706535	/nfs/dbraw/zinc/70/65/35/875706535.db2.gz	ZLSXRCYDMAYFEB-BZUAXINKSA-N	1	0	359.445	1.570	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2cc3ccccc3o2)C[C@H]1C	ZINC001106502028	875729285	/nfs/dbraw/zinc/72/92/85/875729285.db2.gz	MXVSWJPXLYKAHH-NVXWUHKLSA-N	1	0	367.449	1.409	20	30		FDEDRO
Cc1ccc2[nH]c(C(=O)N3C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C3)cc2c1	ZINC001106508951	875767852	/nfs/dbraw/zinc/76/78/52/875767852.db2.gz	FURTYMBMEZUKKL-GDBMZVCRSA-N	1	0	367.453	1.414	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@]3(C)C2)nc1	ZINC000993190750	875783193	/nfs/dbraw/zinc/78/31/93/875783193.db2.gz	KBBWZBKOFJXCQT-UTKZUKDTSA-N	1	0	366.465	1.079	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC([C@]3(C)COC(=O)N3)CC2)CC1	ZINC000917098588	882969416	/nfs/dbraw/zinc/96/94/16/882969416.db2.gz	ZZPMUBKEDLPGIE-IBGZPJMESA-N	1	0	364.490	1.947	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@H](O)COCCOC)[C@H](C)C1	ZINC001106517628	875813423	/nfs/dbraw/zinc/81/34/23/875813423.db2.gz	NPXJEXUGLUYLAF-ZACQAIPSSA-N	1	0	356.507	1.297	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]CCNC(=O)NC(C)(C)C)[C@H](C)C1	ZINC001106527474	875847211	/nfs/dbraw/zinc/84/72/11/875847211.db2.gz	WBCDBQYIIOZSGZ-HUUCEWRRSA-N	1	0	352.523	1.980	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106554266	875939785	/nfs/dbraw/zinc/93/97/85/875939785.db2.gz	GUMSTXQRKBJELJ-SZVBFZGTSA-N	1	0	371.456	1.340	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CCNC(=O)NC(C)C)[C@H](C)C1	ZINC001106564350	875964675	/nfs/dbraw/zinc/96/46/75/875964675.db2.gz	YJRDVFYFXMTNKB-BRWVUGGUSA-N	1	0	352.523	1.980	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]c3cnccc23)C[C@H]1C	ZINC001106577911	876018750	/nfs/dbraw/zinc/01/87/50/876018750.db2.gz	VKUPHDUMAMGPPU-NVXWUHKLSA-N	1	0	356.470	1.992	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCc3nn(C)cc32)C[C@H]1C	ZINC001106585966	876047788	/nfs/dbraw/zinc/04/77/88/876047788.db2.gz	PMUYQAHRFDFRAS-BRWVUGGUSA-N	1	0	358.486	1.174	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106591163	876059662	/nfs/dbraw/zinc/05/96/62/876059662.db2.gz	QEMDMGNFLXLXEO-NVXWUHKLSA-N	1	0	350.422	1.119	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3ccccc3n2C)C[C@H]1C	ZINC001106593559	876070514	/nfs/dbraw/zinc/07/05/14/876070514.db2.gz	FSWPFUOTKFYQQR-NVXWUHKLSA-N	1	0	368.481	1.778	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2cc(C)ccc2C)C[C@H]1C	ZINC001106622702	876249460	/nfs/dbraw/zinc/24/94/60/876249460.db2.gz	LWTSQLUBVZBONM-QWFCFKBJSA-N	1	0	369.509	1.668	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)[C@H](C)C2)CC1	ZINC001106633598	876284980	/nfs/dbraw/zinc/28/49/80/876284980.db2.gz	OJSOSFNYPVNZTO-HZPDHXFCSA-N	1	0	371.547	1.308	20	30		FDEDRO
COC[C@H](OC)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)c(C#N)c2)[C@H](C)C1	ZINC001106644415	876352169	/nfs/dbraw/zinc/35/21/69/876352169.db2.gz	UAVMXWGJVSGHBU-QBIMZIAESA-N	1	0	363.433	1.543	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ncsc2C2CC2)C[C@H]1C	ZINC001106663277	876439826	/nfs/dbraw/zinc/43/98/26/876439826.db2.gz	ZEXGZVIEIWTFQC-TZMCWYRMSA-N	1	0	360.483	1.068	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccnc(-n3cccn3)c2)C[C@H]1C	ZINC001106660174	876454767	/nfs/dbraw/zinc/45/47/67/876454767.db2.gz	DPMFKBJDQUCWJK-SJLPKXTDSA-N	1	0	367.453	1.215	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1C	ZINC001106661731	876463233	/nfs/dbraw/zinc/46/32/33/876463233.db2.gz	QPCIPJFDVXLIFO-HCKVZZMMSA-N	1	0	358.280	1.105	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3c(C)ncc3C2)C[C@H]1C	ZINC001106667356	876482924	/nfs/dbraw/zinc/48/29/24/876482924.db2.gz	VWSKBZLYIVTJNI-KBAYOESNSA-N	1	0	358.486	1.088	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1C	ZINC001106673535	876504843	/nfs/dbraw/zinc/50/48/43/876504843.db2.gz	GVRJJUNDAHBXPA-HZSPNIEDSA-N	1	0	357.445	1.797	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c(C)cccc2C)C[C@H]1C	ZINC001106693243	876572841	/nfs/dbraw/zinc/57/28/41/876572841.db2.gz	YDAQYIKXUODTTF-FGTMMUONSA-N	1	0	355.482	1.739	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(Cl)c(F)c2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106693395	876575048	/nfs/dbraw/zinc/57/50/48/876575048.db2.gz	GOGBVPFNAFBBBA-DGCLKSJQSA-N	1	0	366.824	1.417	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@H]1C	ZINC001106691700	876589951	/nfs/dbraw/zinc/58/99/51/876589951.db2.gz	SWSZTRAGNOPVOQ-JHJVBQTASA-N	1	0	359.392	1.151	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2ccccc2C)C[C@H]1C	ZINC001106697166	876598190	/nfs/dbraw/zinc/59/81/90/876598190.db2.gz	NPLAGNJRKVUVGN-IEBWSBKVSA-N	1	0	355.482	1.361	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NC)[C@H](C)C1	ZINC001106710267	876894661	/nfs/dbraw/zinc/89/46/61/876894661.db2.gz	DLBVGJSREUKGAE-MGPQQGTHSA-N	1	0	352.479	1.117	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC2CC2)[C@H](C)C1	ZINC001106708761	876918041	/nfs/dbraw/zinc/91/80/41/876918041.db2.gz	JIZIPNAAFRMCAB-ZIAGYGMSSA-N	1	0	364.490	1.261	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCCCO2)C[C@H]1C	ZINC001106716012	876935321	/nfs/dbraw/zinc/93/53/21/876935321.db2.gz	UFDPJZSUKXKDLQ-ZACQAIPSSA-N	1	0	351.491	1.322	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](C[C@H]2CCNC(=O)CC2)CC1	ZINC001003788807	877221755	/nfs/dbraw/zinc/22/17/55/877221755.db2.gz	POBCJXGHXQFSAT-AYBZRNKSSA-N	1	0	363.502	1.465	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)Cc1csc(C#N)c1	ZINC000915697743	877224551	/nfs/dbraw/zinc/22/45/51/877224551.db2.gz	ZTUXATNYFBJFBO-UHFFFAOYSA-N	1	0	358.533	1.265	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2csc(Cl)c2)C[C@H]1C	ZINC001106731154	877234240	/nfs/dbraw/zinc/23/42/40/877234240.db2.gz	HEEGXAVRAHUUHX-DGCLKSJQSA-N	1	0	353.875	1.449	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2ccccn2)[C@H](C)C1	ZINC001106732890	877263537	/nfs/dbraw/zinc/26/35/37/877263537.db2.gz	BKWQICMIKQIJHN-SZVBFZGTSA-N	1	0	358.486	1.737	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2ncc(C)o2)[C@H](C)C1	ZINC001106733530	877271330	/nfs/dbraw/zinc/27/13/30/877271330.db2.gz	YLYZIAIXNGNWNV-KBRIMQKVSA-N	1	0	362.474	1.638	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]CCOCC(C)C)[C@H](C)C1	ZINC001106733589	877272341	/nfs/dbraw/zinc/27/23/41/877272341.db2.gz	AWSPGYNXZUPYBN-QRQLOZEOSA-N	1	0	367.534	1.814	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(C#N)[nH]1	ZINC001003866127	877397426	/nfs/dbraw/zinc/39/74/26/877397426.db2.gz	UOUWBEVOQHREDG-MXASKKJJSA-N	1	0	355.442	1.232	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C2)cc1	ZINC001106740662	877407810	/nfs/dbraw/zinc/40/78/10/877407810.db2.gz	ZUUPQZCGJKSHIL-NVXWUHKLSA-N	1	0	357.454	1.085	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH]c(=O)[nH]c32)C[C@H]1C(F)(F)F	ZINC001099263880	877556059	/nfs/dbraw/zinc/55/60/59/877556059.db2.gz	ADLTXEYDEOXAPV-ZYHUDNBSSA-N	1	0	352.316	1.494	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)[C@H](C)C1	ZINC001106753692	877561687	/nfs/dbraw/zinc/56/16/87/877561687.db2.gz	LFYWBLZIRZJLEM-CBZIJGRNSA-N	1	0	365.518	1.566	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3COc4ccc(Cl)cc43)[C@H]2C1	ZINC001083143342	912253954	/nfs/dbraw/zinc/25/39/54/912253954.db2.gz	DAABFYKLYHUVLL-XYJFISCASA-N	1	0	360.841	1.751	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)C[C@H](C)O3)C[C@H]1C	ZINC001106765102	877632572	/nfs/dbraw/zinc/63/25/72/877632572.db2.gz	NIRCVMFWPKNUBB-RVKKMQEKSA-N	1	0	369.465	1.057	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)NC(C)=O)C[C@H]1C	ZINC001106769308	877676399	/nfs/dbraw/zinc/67/63/99/877676399.db2.gz	NYQUDSXIRDWIJM-ZWNOBZJWSA-N	1	0	360.296	1.494	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2occc2Br)C[C@H]1C	ZINC001106771643	877707478	/nfs/dbraw/zinc/70/74/78/877707478.db2.gz	QUUZWQXJUCJJKR-CHWSQXEVSA-N	1	0	369.259	1.990	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2snnc2C(C)C)C[C@H]1C	ZINC001106788764	877927082	/nfs/dbraw/zinc/92/70/82/877927082.db2.gz	KVTRHFLNLVOLIU-ZIAGYGMSSA-N	1	0	350.488	1.609	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnn(CC)c2C)C[C@H]1C	ZINC001106795287	877967920	/nfs/dbraw/zinc/96/79/20/877967920.db2.gz	WOUABCWCSCFXEW-IJEWVQPXSA-N	1	0	361.490	1.200	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CC(=O)NCC(F)(F)F)C[C@H]1C	ZINC001106816797	878249474	/nfs/dbraw/zinc/24/94/74/878249474.db2.gz	IDQLRHULRROUMM-MWLCHTKSSA-N	1	0	355.788	1.492	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]2OC)CC1	ZINC000946587355	878789231	/nfs/dbraw/zinc/78/92/31/878789231.db2.gz	GSOLGLIMLNKHBV-CGTJXYLNSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]2OC)CC1	ZINC000946587589	878797363	/nfs/dbraw/zinc/79/73/63/878797363.db2.gz	NGDGPEZTQGYQOW-KZNAEPCWSA-N	1	0	363.502	1.415	20	30		FDEDRO
COc1ccc(C#N)cc1CN1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001033095081	878896815	/nfs/dbraw/zinc/89/68/15/878896815.db2.gz	PTIRJMYKWLOFRW-ATZDWAIDSA-N	1	0	370.497	1.940	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc(OC)n2)C[C@H]1C	ZINC001106827249	878915016	/nfs/dbraw/zinc/91/50/16/878915016.db2.gz	NUFYESGMFYGOKO-RBSFLKMASA-N	1	0	360.458	1.079	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3ccncc32)C[C@H]1C	ZINC001106827298	878919815	/nfs/dbraw/zinc/91/98/15/878919815.db2.gz	QFHDPDLUYOLYCJ-NVXWUHKLSA-N	1	0	364.449	1.282	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+]([C@@H](C)C(=O)NC)C[C@H]2CC1	ZINC000946595241	879062857	/nfs/dbraw/zinc/06/28/57/879062857.db2.gz	OMATYJRGFKOBAF-AVEIZBFRSA-N	1	0	363.502	1.273	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCO[C@@H]3C[N@H+](C[C@@H]4CCCOC4)C[C@@H]32)cc1	ZINC001083159980	912414298	/nfs/dbraw/zinc/41/42/98/912414298.db2.gz	DKAQISNKGIDYOQ-YSIASYRMSA-N	1	0	354.450	1.620	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1C[C@@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O	ZINC000922731087	879130422	/nfs/dbraw/zinc/13/04/22/879130422.db2.gz	LGEFVFZAQYQPLS-HEYXFABWSA-N	1	0	365.518	1.889	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@@H]2O)cc1	ZINC001083842510	879894392	/nfs/dbraw/zinc/89/43/92/879894392.db2.gz	PTJRGLGPZRHBKY-QRVBRYPASA-N	1	0	358.438	1.043	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC(N)=O)CC1	ZINC001004582799	879907357	/nfs/dbraw/zinc/90/73/57/879907357.db2.gz	YMMABJPFACMSIZ-SCTDSRPQSA-N	1	0	363.502	1.546	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC000993872202	879926269	/nfs/dbraw/zinc/92/62/69/879926269.db2.gz	PTIHKTMNZNWQPQ-GDBMZVCRSA-N	1	0	371.485	1.443	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CCCC[N@H+]2CC)C1	ZINC000993882756	879958975	/nfs/dbraw/zinc/95/89/75/879958975.db2.gz	XPNQVPALIWHLON-BZSNNMDCSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)C[C@H]1C	ZINC001106834924	880029178	/nfs/dbraw/zinc/02/91/78/880029178.db2.gz	YCDWCBURJPEAIU-QLFBSQMISA-N	1	0	364.490	1.356	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC000993919651	880151728	/nfs/dbraw/zinc/15/17/28/880151728.db2.gz	VXJLODMUCORBPM-IJEWVQPXSA-N	1	0	357.458	1.195	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)c3c[nH]cc3C)C[C@H]2C)CC1	ZINC000994141433	880913558	/nfs/dbraw/zinc/91/35/58/880913558.db2.gz	VIQYZGWABZFDOL-SJLPKXTDSA-N	1	0	370.497	1.493	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-c3cnn(C)c3)o2)C[C@H]1C	ZINC001106851451	881123432	/nfs/dbraw/zinc/12/34/32/881123432.db2.gz	SOFNHYKDHHMDEQ-HZPDHXFCSA-N	1	0	370.453	1.628	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@H+]2CC[C@H](C)C2)nc1	ZINC001004747365	881201485	/nfs/dbraw/zinc/20/14/85/881201485.db2.gz	JOJINKMMHOTBOK-WLWJZTKJSA-N	1	0	366.465	1.266	20	30		FDEDRO
C[NH+](C)CCOc1ccc(C=NNc2ccc(S(N)(=O)=O)cc2)cc1	ZINC000915933671	881251449	/nfs/dbraw/zinc/25/14/49/881251449.db2.gz	NIUAMGTWTBXIJJ-UHFFFAOYSA-N	1	0	362.455	1.720	20	30		FDEDRO
C[NH+](C)CCOc1ccc(C=NNC(=S)NC[C@H]2CCCO2)cc1	ZINC000915941783	881255680	/nfs/dbraw/zinc/25/56/80/881255680.db2.gz	AUVAQOWUCMALIU-MRXNPFEDSA-N	1	0	350.488	1.604	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2)C1	ZINC001033960083	883577385	/nfs/dbraw/zinc/57/73/85/883577385.db2.gz	LXCAMLKYMJNHEI-OTWHNJEPSA-N	1	0	371.481	1.799	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@H+](CCCC2CCCC2)C[C@@H]1n1ccnn1	ZINC001128824532	883744575	/nfs/dbraw/zinc/74/45/75/883744575.db2.gz	DVFUHOPOKVGORU-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]CC(=O)N2CCC(C)CC2)C1	ZINC000999429050	912754329	/nfs/dbraw/zinc/75/43/29/912754329.db2.gz	WLHXUYYKKAEMHA-HIEASXQVSA-N	1	0	363.502	1.415	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)C[C@@H]1O	ZINC001083998948	912754636	/nfs/dbraw/zinc/75/46/36/912754636.db2.gz	XCYQLRDMSQBAKK-OLMNPRSZSA-N	1	0	362.420	1.807	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](n2ccnn2)C1	ZINC001128891454	883964645	/nfs/dbraw/zinc/96/46/45/883964645.db2.gz	BMPYBQOZSDSUSQ-MSOLQXFVSA-N	1	0	367.457	1.880	20	30		FDEDRO
CCC/C=C/CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](n2ccnn2)C1	ZINC001128891880	883970272	/nfs/dbraw/zinc/97/02/72/883970272.db2.gz	STLSRCBOENTBCA-ZLKFPQNLSA-N	1	0	367.457	1.880	20	30		FDEDRO
CC/C=C\CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](n2ccnn2)C1	ZINC001128903225	884020661	/nfs/dbraw/zinc/02/06/61/884020661.db2.gz	KYWJQCZPSHUTQC-DSLCMKTCSA-N	1	0	353.430	1.489	20	30		FDEDRO
C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC001034272506	884064027	/nfs/dbraw/zinc/06/40/27/884064027.db2.gz	UECYPNRPKJSCJS-MJBXVCDLSA-N	1	0	350.381	1.880	20	30		FDEDRO
C=CCN1CC[C@H]([NH+]2CCC(N(C)C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC2)C1=O	ZINC001005533995	884108010	/nfs/dbraw/zinc/10/80/10/884108010.db2.gz	UIMSLHNOJLBEGB-NUJGCVRESA-N	1	0	371.485	1.223	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)n1	ZINC000245606019	884242145	/nfs/dbraw/zinc/24/21/45/884242145.db2.gz	QYJKBWOLGFIYNW-ZIAGYGMSSA-N	1	0	360.462	1.511	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2cccc(C#N)c2)C1	ZINC001034403710	884315582	/nfs/dbraw/zinc/31/55/82/884315582.db2.gz	AGTREPYRPQOMHU-GBESFXJTSA-N	1	0	368.481	1.753	20	30		FDEDRO
CC(C)(C)C#CC(=O)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001128980370	884572621	/nfs/dbraw/zinc/57/26/21/884572621.db2.gz	YJKGLYBVUKRDNU-MOPGFXCFSA-N	1	0	365.481	1.912	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(=[NH+]C)N2CCN(c3ncccn3)CC2)C12CCC2	ZINC000154775471	884740799	/nfs/dbraw/zinc/74/07/99/884740799.db2.gz	YBNUXUIQKCVQND-JKSUJKDBSA-N	1	0	358.490	1.522	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CN2Cc3ccccc3C2=O)C[C@H]1C	ZINC001106892152	884898175	/nfs/dbraw/zinc/89/81/75/884898175.db2.gz	QRKHEFROXVOARZ-SJLPKXTDSA-N	1	0	371.481	1.529	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2c(C)nnn2CC)CC1	ZINC001034735150	884927123	/nfs/dbraw/zinc/92/71/23/884927123.db2.gz	CKNTXOQULKCKBT-KONPQCLYSA-N	1	0	361.490	1.715	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O	ZINC001083999560	912881551	/nfs/dbraw/zinc/88/15/51/912881551.db2.gz	WWGNARLSRZAUGE-NJYVYQBISA-N	1	0	370.493	1.313	20	30		FDEDRO
C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(CCC#N)cc2)C1	ZINC000918972774	885132421	/nfs/dbraw/zinc/13/24/21/885132421.db2.gz	SVSNTCCBZNAPPN-KRWDZBQOSA-N	1	0	351.472	1.220	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCOC(C)C)C[C@@H]1n1ccnn1	ZINC001129014777	885132314	/nfs/dbraw/zinc/13/23/14/885132314.db2.gz	RLXDQRARLWZEMQ-CABCVRRESA-N	1	0	369.897	1.823	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(C[NH2+][C@H]2CCCN(C)C2=O)cc1	ZINC001034828681	885237286	/nfs/dbraw/zinc/23/72/86/885237286.db2.gz	KQCCVYSQKLJVRR-QYZOEREBSA-N	1	0	371.481	1.604	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCc4ccccc43)C[C@@H]2O)nc1	ZINC001083969538	912917387	/nfs/dbraw/zinc/91/73/87/912917387.db2.gz	HJMFPQSSOOJNTL-NJYVYQBISA-N	1	0	361.445	1.915	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C(N)=O)cc1	ZINC001034941997	885398168	/nfs/dbraw/zinc/39/81/68/885398168.db2.gz	TYXUFIUIETVHEO-QRVBRYPASA-N	1	0	371.481	1.847	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(C(N)=O)c1	ZINC001034941633	885398349	/nfs/dbraw/zinc/39/83/49/885398349.db2.gz	LHGVGXOMIJQWKE-QRVBRYPASA-N	1	0	371.481	1.847	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)COCc2ccc(C)cc2)[C@@H](n2ccnn2)C1	ZINC001129037964	885446518	/nfs/dbraw/zinc/44/65/18/885446518.db2.gz	ICNNEFUKTMOZPQ-MOPGFXCFSA-N	1	0	367.453	1.168	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCC=C)C[C@@H]2n2ccnn2)CCOCC1	ZINC001129043688	885520406	/nfs/dbraw/zinc/52/04/06/885520406.db2.gz	UXHAPWGNDXPTCE-SJORKVTESA-N	1	0	357.458	1.016	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cnc3[nH]ccc3c2)[C@@H](n2ccnn2)C1	ZINC001129054375	885586412	/nfs/dbraw/zinc/58/64/12/885586412.db2.gz	DKCHBWGSNVBOSZ-SJORKVTESA-N	1	0	365.441	1.728	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC(C)(C)CO2)[C@@H](n2ccnn2)C1	ZINC001129098328	885729482	/nfs/dbraw/zinc/72/94/82/885729482.db2.gz	HZZHEVPGFNKYCK-ZACQAIPSSA-N	1	0	361.490	1.791	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC(C)C)[C@H](C)C2)cn1	ZINC001106894610	885760998	/nfs/dbraw/zinc/76/09/98/885760998.db2.gz	PGPUJTYBYUETKN-NVXWUHKLSA-N	1	0	356.470	1.133	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2(COC)CCC2)[C@@H](n2ccnn2)C1	ZINC001129118771	885790518	/nfs/dbraw/zinc/79/05/18/885790518.db2.gz	PNJZRPVQFDBADM-BBWFWOEESA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cccc3n[nH]cc32)[C@@H](n2ccnn2)C1	ZINC001129138967	885839317	/nfs/dbraw/zinc/83/93/17/885839317.db2.gz	BUXFVHXADKMSPE-MSOLQXFVSA-N	1	0	365.441	1.776	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CCc2cccc(Cl)c2)[C@@H](n2ccnn2)C1	ZINC001129144623	885864856	/nfs/dbraw/zinc/86/48/56/885864856.db2.gz	PJTLCGIHXNEADI-MSOLQXFVSA-N	1	0	371.872	1.929	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1n1ccnn1	ZINC001129147475	885874025	/nfs/dbraw/zinc/87/40/25/885874025.db2.gz	BLOLUWTWSDXGCE-ZACQAIPSSA-N	1	0	361.490	1.649	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@@H]1n1ccnn1	ZINC001129159436	885891184	/nfs/dbraw/zinc/89/11/84/885891184.db2.gz	ILDTUPCYFWHFFG-BBWFWOEESA-N	1	0	361.490	1.649	20	30		FDEDRO
C=CCCC1(C(=O)NC[C@H]2COCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001061867268	885953161	/nfs/dbraw/zinc/95/31/61/885953161.db2.gz	FZWORTHGFSICQZ-IXDOHACOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1n1ccnn1	ZINC001129184172	886077091	/nfs/dbraw/zinc/07/70/91/886077091.db2.gz	BIMAYYIHMYKABV-JQHSSLGASA-N	1	0	371.489	1.198	20	30		FDEDRO
C[C@@H](Nc1nccnc1C#N)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001061890268	886226656	/nfs/dbraw/zinc/22/66/56/886226656.db2.gz	WXJWDYFMSBZNAK-IIAWOOMASA-N	1	0	356.474	1.727	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](c2ccncc2)C(C)C)[C@@H](n2ccnn2)C1	ZINC001129200521	886282333	/nfs/dbraw/zinc/28/23/33/886282333.db2.gz	ZCBHHEHPIICYFZ-QYZOEREBSA-N	1	0	366.469	1.478	20	30		FDEDRO
C#CCCCCNC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	ZINC000155116077	886307286	/nfs/dbraw/zinc/30/72/86/886307286.db2.gz	HOLIHCZALMMHHW-UHFFFAOYSA-N	1	0	362.518	1.814	20	30		FDEDRO
C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1)CC2	ZINC001035792543	886444887	/nfs/dbraw/zinc/44/48/87/886444887.db2.gz	CTTRTNHGBUOZFE-DLBZAZTESA-N	1	0	363.502	1.513	20	30		FDEDRO
CNC(=O)[C@H]1CCC[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000499316748	886772904	/nfs/dbraw/zinc/77/29/04/886772904.db2.gz	OAUFZHKPOPRBEI-ROUUACIJSA-N	1	0	371.485	1.546	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)CC(C)(C)CC#N)C2	ZINC000920275554	886804107	/nfs/dbraw/zinc/80/41/07/886804107.db2.gz	SRHNLOBANIKPDH-PNBKFKSVSA-N	1	0	357.520	1.325	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)Cc2cccnc2C)[C@@H](n2ccnn2)C1	ZINC001129261404	886952258	/nfs/dbraw/zinc/95/22/58/886952258.db2.gz	ALOHWRMJMDUYFQ-MSOLQXFVSA-N	1	0	354.458	1.532	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O)C1CC[NH+](C)CC1	ZINC000920616891	887097776	/nfs/dbraw/zinc/09/77/76/887097776.db2.gz	ZQFYYTWRSKFSRS-VQIMIIECSA-N	1	0	368.481	1.919	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCC2CN(Cc3cc(F)ccc3C#N)C2)CC[N@@H+]1C	ZINC001031684080	887453232	/nfs/dbraw/zinc/45/32/32/887453232.db2.gz	GGOOQHJORCXIQD-RBUKOAKNSA-N	1	0	358.461	1.976	20	30		FDEDRO
C[NH+]1CCC(n2ccc(NC(=O)C(=O)Nc3cccc(CC#N)c3)n2)CC1	ZINC000593629707	887600390	/nfs/dbraw/zinc/60/03/90/887600390.db2.gz	MNFDQZALTBWESI-UHFFFAOYSA-N	1	0	366.425	1.793	20	30		FDEDRO
CC[N@H+]1C[C@H](NC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)[C@@H](C)C1	ZINC000921407399	887902475	/nfs/dbraw/zinc/90/24/75/887902475.db2.gz	ZYVQEXSHBHHQMU-XIRDDKMYSA-N	1	0	356.474	1.879	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCCc2c1ccc(=O)n2C)C1CC[NH+](C)CC1	ZINC000923089227	887997300	/nfs/dbraw/zinc/99/73/00/887997300.db2.gz	FIVIYUFMANAOHV-QGZVFWFLSA-N	1	0	356.470	1.502	20	30		FDEDRO
COC(=O)/C(C)=C/CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000923090719	888001650	/nfs/dbraw/zinc/00/16/50/888001650.db2.gz	DQOPYBJITNPXGD-GIDUJCDVSA-N	1	0	370.453	1.941	20	30		FDEDRO
CCC(=O)N[C@@H]1CCCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1	ZINC000330193077	888002995	/nfs/dbraw/zinc/00/29/95/888002995.db2.gz	AGGFKGWACLPTFI-CQSZACIVSA-N	1	0	362.478	2.513	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2cn(CCOC)nn2)[C@H](OC)C1	ZINC001212257870	888072167	/nfs/dbraw/zinc/07/21/67/888072167.db2.gz	KDLZZNKOJSTFTI-NVXWUHKLSA-N	1	0	365.478	1.100	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](CCCc2ccc(C)cc2)C[C@H]1OC	ZINC001212262525	888166244	/nfs/dbraw/zinc/16/62/44/888166244.db2.gz	QZZDISYBBFQQLM-WOJBJXKFSA-N	1	0	358.482	1.783	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1	ZINC000946866871	888211843	/nfs/dbraw/zinc/21/18/43/888211843.db2.gz	CFHCKUCTFGGMQI-NJAFHUGGSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](C2CC2)[NH+](C)C)c1	ZINC001005972929	888301122	/nfs/dbraw/zinc/30/11/22/888301122.db2.gz	AMURJFMKSIROJV-AKHDSKFASA-N	1	0	366.465	1.265	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCCc1ccc(C#N)cc1)C2	ZINC000923186474	888307668	/nfs/dbraw/zinc/30/76/68/888307668.db2.gz	SXHWPJGRSLVHPE-XCJLJZCSSA-N	1	0	370.497	1.880	20	30		FDEDRO
C=CCCOCC(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001060751351	888315727	/nfs/dbraw/zinc/31/57/27/888315727.db2.gz	LGDYXQYHRAHTJF-BRSBDYLESA-N	1	0	365.518	1.711	20	30		FDEDRO
Cc1cc(NC(=O)NCC[N@H+]2CC=CCC2)nn1-c1cccc(C#N)c1	ZINC000373978011	888364127	/nfs/dbraw/zinc/36/41/27/888364127.db2.gz	PRYZCRWTXIBKKY-UHFFFAOYSA-N	1	0	350.426	2.436	20	30		FDEDRO
C=C(Br)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1	ZINC000999775707	913264248	/nfs/dbraw/zinc/26/42/48/913264248.db2.gz	FQMJPNSQWKNTHD-ZQDZILKHSA-N	1	0	373.291	1.527	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C)C1CCOCC1	ZINC000923326436	888919251	/nfs/dbraw/zinc/91/92/51/888919251.db2.gz	ZHBQCECHTCYEHM-QZTJIDSGSA-N	1	0	363.502	1.700	20	30		FDEDRO
C#C[C@H](NC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C)C1CCOCC1	ZINC000923326438	888919447	/nfs/dbraw/zinc/91/94/47/888919447.db2.gz	ZHBQCECHTCYEHM-ROUUACIJSA-N	1	0	363.502	1.700	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1	ZINC000938680939	889083507	/nfs/dbraw/zinc/08/35/07/889083507.db2.gz	AKZKTFCUXRDEEM-BBWFWOEESA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)Cc1ccccc1	ZINC001127604587	889503000	/nfs/dbraw/zinc/50/30/00/889503000.db2.gz	HLWDHLWOSSELNQ-MSOLQXFVSA-N	1	0	359.470	1.332	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1nc(C)cs1	ZINC001127605125	889509977	/nfs/dbraw/zinc/50/99/77/889509977.db2.gz	RWPFMQUWWMWZNB-OLZOCXBDSA-N	1	0	352.460	1.077	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)Nc1ccccc1F	ZINC001127608622	889722071	/nfs/dbraw/zinc/72/20/71/889722071.db2.gz	BGZMOFNBMSOVLR-VBQJREDUSA-N	1	0	363.433	1.840	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)COc2c(C)nn(C)c2C)[C@H](OC)C1	ZINC001212292369	889807943	/nfs/dbraw/zinc/80/79/43/889807943.db2.gz	ZFVBGONEFBBOOS-HZPDHXFCSA-N	1	0	350.463	1.197	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2(C(F)(F)F)CCOCC2)[C@H](OC)C1	ZINC001212299310	889974448	/nfs/dbraw/zinc/97/44/48/889974448.db2.gz	GMYDDPMKUJUFEA-CHWSQXEVSA-N	1	0	350.381	1.737	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(C)nn2CC)[C@@H](n2ccnn2)C1	ZINC001129284248	890035116	/nfs/dbraw/zinc/03/51/16/890035116.db2.gz	LVKVZMVMLDDNMR-JZXOWHBKSA-N	1	0	371.489	1.813	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1OC	ZINC001212319030	890084466	/nfs/dbraw/zinc/08/44/66/890084466.db2.gz	WFSWDOFGJGQFIK-QZTJIDSGSA-N	1	0	359.470	1.469	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1OC	ZINC001212320824	890098507	/nfs/dbraw/zinc/09/85/07/890098507.db2.gz	CEHCLARKOWIRTB-QZTJIDSGSA-N	1	0	363.502	1.583	20	30		FDEDRO
Cn1cncc1[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)C#CC(C)(C)C)CCC1	ZINC001062985694	890113898	/nfs/dbraw/zinc/11/38/98/890113898.db2.gz	ZTDMGHRXCSCGNJ-HUUCEWRRSA-N	1	0	356.470	1.728	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(NC(=O)C[N@@H+](C)CCC)CCC1	ZINC001063214913	890341003	/nfs/dbraw/zinc/34/10/03/890341003.db2.gz	WZCFLIKBFDIDAS-CVEARBPZSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNC(=O)[C@@H](F)C[NH+](CC)CC)CCC1	ZINC001063274503	890408009	/nfs/dbraw/zinc/40/80/09/890408009.db2.gz	RISGPLMLUWHUQH-PMPSAXMXSA-N	1	0	369.481	1.413	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2[nH]nc3c2cccc3OC)[C@H](OC)C1	ZINC001212340316	890436470	/nfs/dbraw/zinc/43/64/70/890436470.db2.gz	JUEIIIQASPBTQR-GDBMZVCRSA-N	1	0	358.442	1.967	20	30		FDEDRO
Cc1cc(C#N)nc(N[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1	ZINC001063408827	890522577	/nfs/dbraw/zinc/52/25/77/890522577.db2.gz	UUHPIUJDENBRGY-KCYZZUKISA-N	1	0	356.474	1.836	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCCO2)C[C@H]1OC	ZINC001212344744	891023761	/nfs/dbraw/zinc/02/37/61/891023761.db2.gz	KVVSLQWHUNJHDZ-KZNAEPCWSA-N	1	0	354.491	1.744	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccc(OC)c(-n2cnnn2)c1	ZINC000181752451	891436022	/nfs/dbraw/zinc/43/60/22/891436022.db2.gz	DFINOCQMFFHCCR-AWEZNQCLSA-N	1	0	357.414	1.561	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C#N)c[nH]1)C2	ZINC001001904471	891638733	/nfs/dbraw/zinc/63/87/33/891638733.db2.gz	KBDJWXHPVMUVKT-LMSBXDPUSA-N	1	0	369.469	1.622	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC[NH+](CCN2CCCC2=O)CC1	ZINC001001935407	891691621	/nfs/dbraw/zinc/69/16/21/891691621.db2.gz	VFOZNKPGXIBGKB-HKUYNNGSSA-N	1	0	363.502	1.418	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C#N)[nH]1)C2	ZINC001002088888	891911927	/nfs/dbraw/zinc/91/19/27/891911927.db2.gz	FOWUEDGZBINIGZ-BGTYHANMSA-N	1	0	369.469	1.622	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c[nH]c(C#N)c2)C3)C1	ZINC001002136490	891974514	/nfs/dbraw/zinc/97/45/14/891974514.db2.gz	WGTMUOCTUXJTSL-YYQUZTFQSA-N	1	0	355.442	1.090	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H](C)c3ccco3)C2)CC1	ZINC000940248891	892082954	/nfs/dbraw/zinc/08/29/54/892082954.db2.gz	PLCOXQHZJDCSRP-SOLBZPMBSA-N	1	0	371.481	1.691	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)CC2CC[NH+](C)CC2)C1	ZINC001002194537	892203637	/nfs/dbraw/zinc/20/36/37/892203637.db2.gz	AQUZKKJNQOHFCT-HKUYNNGSSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)C23CCC[NH+]2CCC3)C1	ZINC001002196545	892208838	/nfs/dbraw/zinc/20/88/38/892208838.db2.gz	VFMJOEKOOJRBRX-IRXDYDNUSA-N	1	0	361.486	1.171	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1	ZINC001002220305	892253576	/nfs/dbraw/zinc/25/35/76/892253576.db2.gz	WRKOOFUZWXJDPE-SQNIBIBYSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2occ3c2CCCC3)C[C@H]1C	ZINC001106919792	892469712	/nfs/dbraw/zinc/46/97/12/892469712.db2.gz	CKBZXKHNLUJJKD-HLLBOEOZSA-N	1	0	371.481	1.594	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCCN2C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC001002339985	892613318	/nfs/dbraw/zinc/61/33/18/892613318.db2.gz	UMGJYUADCJFKBT-VNQPRFMTSA-N	1	0	357.458	1.290	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)CNS(=O)(=O)CCCC)C[C@H]1C	ZINC001106927577	892979852	/nfs/dbraw/zinc/97/98/52/892979852.db2.gz	WGPWTRGKXXILMZ-HZPDHXFCSA-N	1	0	359.536	1.356	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnn3c2C[C@@H](C)CC3)C[C@H]1C	ZINC001106930876	893022565	/nfs/dbraw/zinc/02/25/65/893022565.db2.gz	IQWDGPUTOQTPEP-GVDBMIGSSA-N	1	0	358.486	1.413	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)C2)CC1	ZINC001002478713	893034062	/nfs/dbraw/zinc/03/40/62/893034062.db2.gz	OORJTFQXZLVYME-QZTJIDSGSA-N	1	0	359.514	1.588	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C(C)(C)C1	ZINC000940811563	893277608	/nfs/dbraw/zinc/27/76/08/893277608.db2.gz	NEFQFLYSYBSDAQ-KURKYZTESA-N	1	0	358.486	1.738	20	30		FDEDRO
Cn1nccc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21	ZINC001084225992	913763429	/nfs/dbraw/zinc/76/34/29/913763429.db2.gz	CSCMVZYSMKAAHN-VQIMIIECSA-N	1	0	365.437	1.669	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COc3ccccc3O2)C[C@H]1C	ZINC001106944156	893516633	/nfs/dbraw/zinc/51/66/33/893516633.db2.gz	UFZLZEHVNWDMTH-MDZRGWNJSA-N	1	0	358.438	1.160	20	30		FDEDRO
N#Cc1ncn(CC(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)n1	ZINC000921964682	893574569	/nfs/dbraw/zinc/57/45/69/893574569.db2.gz	SIJLSLJIQYFRQH-MRXNPFEDSA-N	1	0	351.414	1.073	20	30		FDEDRO
C[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C[C@H]21)n1cncn1	ZINC001084291893	913830616	/nfs/dbraw/zinc/83/06/16/913830616.db2.gz	NFAGLHVCVGWJOD-ZTFGCOKTSA-N	1	0	350.426	1.444	20	30		FDEDRO
N#Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(CO)cc4)C[C@H]32)c[nH]1	ZINC001084293780	913842529	/nfs/dbraw/zinc/84/25/29/913842529.db2.gz	XVGMMNFGWOLHPN-VQIMIIECSA-N	1	0	350.422	1.725	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1	ZINC000941202776	894196370	/nfs/dbraw/zinc/19/63/70/894196370.db2.gz	RZOMSQMZPSRQFW-LNLFQRSKSA-N	1	0	363.502	1.370	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000922022888	894400158	/nfs/dbraw/zinc/40/01/58/894400158.db2.gz	CXNZZCPKOOMSMC-UHFFFAOYSA-N	1	0	351.428	1.621	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc2c1OCCO2	ZINC000922022791	894403879	/nfs/dbraw/zinc/40/38/79/894403879.db2.gz	APWKOBMZEQMQEP-UHFFFAOYSA-N	1	0	350.440	1.176	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C(=O)OC)c(C)c1	ZINC000922023412	894423326	/nfs/dbraw/zinc/42/33/26/894423326.db2.gz	JNKGKNHIDCODET-UHFFFAOYSA-N	1	0	364.467	1.500	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(NC(C)=O)ccc1C	ZINC000922025700	894534777	/nfs/dbraw/zinc/53/47/77/894534777.db2.gz	JLIPQKGVMIAOPC-UHFFFAOYSA-N	1	0	363.483	1.672	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)[C@H](OC)C1	ZINC001212471731	894709204	/nfs/dbraw/zinc/70/92/04/894709204.db2.gz	ADYVUHAHCCVBTL-BRWVUGGUSA-N	1	0	353.507	1.641	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H](OC)C1	ZINC000941375387	894852336	/nfs/dbraw/zinc/85/23/36/894852336.db2.gz	QIVYYTVWIDCXBR-MGPQQGTHSA-N	1	0	357.882	1.201	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000941418304	894950655	/nfs/dbraw/zinc/95/06/55/894950655.db2.gz	IFUMXICVPFBURL-BRWVUGGUSA-N	1	0	371.481	1.922	20	30		FDEDRO
COc1cccc([C@@H](O)C[N@@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)c1	ZINC001084334660	914056894	/nfs/dbraw/zinc/05/68/94/914056894.db2.gz	DQICZXFMUUJIEQ-RLLQIKCJSA-N	1	0	354.450	1.675	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H](OC)C1	ZINC000942144463	896468810	/nfs/dbraw/zinc/46/88/10/896468810.db2.gz	NNZAEHIASBACHM-GVDBMIGSSA-N	1	0	365.518	1.519	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@@H+](CC(C)C)C2)nn1	ZINC000999987528	896520752	/nfs/dbraw/zinc/52/07/52/896520752.db2.gz	OZQBPZISKOBINJ-KSZLIROESA-N	1	0	361.490	1.778	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCc1cn([C@@H]2CC[N@@H+](CCCC)C2)nn1	ZINC000999988005	896522788	/nfs/dbraw/zinc/52/27/88/896522788.db2.gz	RUWGIXQINADGRL-KURKYZTESA-N	1	0	361.490	1.922	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C	ZINC001077884258	896636922	/nfs/dbraw/zinc/63/69/22/896636922.db2.gz	OEFSBRHGHXUJQT-XSLAGTTESA-N	1	0	365.518	1.853	20	30		FDEDRO
C=C1CC(C)(C(=O)N2CCCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)CC2)C1	ZINC000942360140	896890886	/nfs/dbraw/zinc/89/08/86/896890886.db2.gz	AWQFDLUUDHHCJR-HZPDHXFCSA-N	1	0	356.470	1.941	20	30		FDEDRO
C#CCC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@H]3OCC[C@H]3CC)C2)n1	ZINC001128107673	896970064	/nfs/dbraw/zinc/97/00/64/896970064.db2.gz	XRUKVLIETFFZFB-POAQFYNOSA-N	1	0	370.497	1.705	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C[C@H](C)N1CC#N	ZINC000921706254	897227642	/nfs/dbraw/zinc/22/76/42/897227642.db2.gz	VWQQUYGPYOTRFI-IYBDPMFKSA-N	1	0	374.489	1.150	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCC3)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106972917	897239687	/nfs/dbraw/zinc/23/96/87/897239687.db2.gz	RGGCOMAWLKUIMM-DNVCBOLYSA-N	1	0	368.481	1.042	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)COc2cccc(C)c2)C[C@H]1C	ZINC001106975259	897280805	/nfs/dbraw/zinc/28/08/05/897280805.db2.gz	IXPAPAHQJGEQSX-KZNAEPCWSA-N	1	0	371.481	1.196	20	30		FDEDRO
C=CC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@@H]3CCO[C@H]3C=C)C2)n1	ZINC001128117723	897297654	/nfs/dbraw/zinc/29/76/54/897297654.db2.gz	IJACJRKVTRLLNF-KURKYZTESA-N	1	0	356.470	1.643	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC2(CCOCC2)C1	ZINC001089959706	897327060	/nfs/dbraw/zinc/32/70/60/897327060.db2.gz	QUCVNXCPUBGZKS-IKGGRYGDSA-N	1	0	363.502	1.451	20	30		FDEDRO
C=CCCCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1	ZINC001108024817	897393063	/nfs/dbraw/zinc/39/30/63/897393063.db2.gz	QATBMVARNFWGRQ-GGPKGHCWSA-N	1	0	367.534	1.659	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cncc(N3CCCC3)n1)C2	ZINC001112540529	897643085	/nfs/dbraw/zinc/64/30/85/897643085.db2.gz	BBHBUSWSKRLFSE-JXFKEZNVSA-N	1	0	353.470	1.542	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@H]2OCCO[C@H]2C)C1	ZINC000995269628	897672957	/nfs/dbraw/zinc/67/29/57/897672957.db2.gz	YSMFNUYOZDAEJO-IHPCNDPISA-N	1	0	371.481	1.559	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1	ZINC000995277305	897748618	/nfs/dbraw/zinc/74/86/18/897748618.db2.gz	WHHCOGWIQXTIDZ-QRVBRYPASA-N	1	0	370.497	1.642	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000942811858	897828377	/nfs/dbraw/zinc/82/83/77/897828377.db2.gz	SAGIFTGIPDMSTM-XYJFISCASA-N	1	0	371.485	1.680	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccn(CC(C)C)c1=O)C2	ZINC001112540874	897830644	/nfs/dbraw/zinc/83/06/44/897830644.db2.gz	UKUYFCLOKDTNFB-UWJYYQICSA-N	1	0	355.482	1.969	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](N(CC)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC000942813735	897897179	/nfs/dbraw/zinc/89/71/79/897897179.db2.gz	METNPSLXBSRIPZ-AYOQOUSVSA-N	1	0	368.481	1.466	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)COc2ccccc2)C[C@H]1C	ZINC001106991052	897926410	/nfs/dbraw/zinc/92/64/10/897926410.db2.gz	MFAFSBQMJBPTTM-KZNAEPCWSA-N	1	0	371.481	1.135	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@@]2(CNC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@@H]12	ZINC000995305491	898270559	/nfs/dbraw/zinc/27/05/59/898270559.db2.gz	AVUDGVXPOONVKT-NNMXDRDESA-N	1	0	369.509	1.629	20	30		FDEDRO
CC1(C)[C@H](NC(=[NH2+])NCCCN2CCOCC2)C[C@H]1OCc1ccccc1	ZINC000184651276	898345286	/nfs/dbraw/zinc/34/52/86/898345286.db2.gz	GEDQDOLKKAGZFN-RTBURBONSA-N	1	0	374.529	1.997	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000943284554	898613232	/nfs/dbraw/zinc/61/32/32/898613232.db2.gz	CWQZARMMFHSXOE-XYJFISCASA-N	1	0	371.485	1.728	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CCCCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000943285702	898622122	/nfs/dbraw/zinc/62/21/22/898622122.db2.gz	IBPPQCLBCFWYFL-VNQPRFMTSA-N	1	0	357.458	1.337	20	30		FDEDRO
C[C@@H]1CCO[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001078472374	898804414	/nfs/dbraw/zinc/80/44/14/898804414.db2.gz	VROFWMLMILAPLF-LZQZEXGQSA-N	1	0	357.454	1.690	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2snnc2C)C1	ZINC001078473801	898806791	/nfs/dbraw/zinc/80/67/91/898806791.db2.gz	LJBIGTYAJHGXHS-ZNMIVQPWSA-N	1	0	366.487	1.145	20	30		FDEDRO
C[C@@H]1CC[C@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3ccc(C#N)s3)C2)O1	ZINC001078475653	898815789	/nfs/dbraw/zinc/81/57/89/898815789.db2.gz	SZPUTRFFACXGDQ-JKIFEVAISA-N	1	0	363.483	1.894	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2ccns2)C1	ZINC001078484351	898835725	/nfs/dbraw/zinc/83/57/25/898835725.db2.gz	HBFYAFIOYDYMTB-PVAVHDDUSA-N	1	0	365.499	1.831	20	30		FDEDRO
Cn1ccc(CCC(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)n1	ZINC001084381527	914297803	/nfs/dbraw/zinc/29/78/03/914297803.db2.gz	RUCLWRSTSPGBIR-UYAOXDASSA-N	1	0	363.465	1.957	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3C3CC3)CC2)CC1	ZINC000943712737	899226065	/nfs/dbraw/zinc/22/60/65/899226065.db2.gz	ZUZWDMJBYIZQLQ-LWYYNNOASA-N	1	0	371.525	1.921	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)c2cccc(F)c2)C[C@H]1C	ZINC001107007344	899409024	/nfs/dbraw/zinc/40/90/24/899409024.db2.gz	VQPARMOAPZTDFL-BFYDXBDKSA-N	1	0	361.461	1.916	20	30		FDEDRO
C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1	ZINC001001830949	899484741	/nfs/dbraw/zinc/48/47/41/899484741.db2.gz	VDXDSBRMAREFAU-ZWKOTPCHSA-N	1	0	361.486	1.008	20	30		FDEDRO
C=C[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CC2)[C@H](C)C1)c1ccccc1	ZINC001107018869	899558851	/nfs/dbraw/zinc/55/88/51/899558851.db2.gz	NZCCWSBUVUIDEO-SZVBFZGTSA-N	1	0	355.482	1.919	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC000943938842	899601785	/nfs/dbraw/zinc/60/17/85/899601785.db2.gz	DIUYVSDCIVXULK-HLLBOEOZSA-N	1	0	357.458	1.337	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(OC)cc3)C[C@H]21	ZINC001084417923	914377258	/nfs/dbraw/zinc/37/72/58/914377258.db2.gz	MACHJLINIYFYDJ-HLAWJBBLSA-N	1	0	367.493	1.826	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C	ZINC001107034023	899801986	/nfs/dbraw/zinc/80/19/86/899801986.db2.gz	FICKVINVGCKSNG-HUUCEWRRSA-N	1	0	364.494	1.032	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1	ZINC000944180173	899953876	/nfs/dbraw/zinc/95/38/76/899953876.db2.gz	XYWRVHRTTNZBLM-ZACQAIPSSA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3cccc(C)c3o2)C[C@H]1C	ZINC001107043254	900064364	/nfs/dbraw/zinc/06/43/64/900064364.db2.gz	ODCDDZQXJDNPOK-NVXWUHKLSA-N	1	0	367.449	1.788	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C	ZINC000944300313	900099067	/nfs/dbraw/zinc/09/90/67/900099067.db2.gz	BVEXOKWGYRBGEE-OWSLCNJRSA-N	1	0	365.518	1.805	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC3(CCN(C(=O)[C@H](C)C#N)C3)CC2)CC[N@@H+]1C	ZINC000944387111	900231838	/nfs/dbraw/zinc/23/18/38/900231838.db2.gz	OZELALUOSIOZRV-IXDOHACOSA-N	1	0	360.502	1.717	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC2CC2)[C@H](C)C1	ZINC001107062860	900391765	/nfs/dbraw/zinc/39/17/65/900391765.db2.gz	WHIZBVMSUDPZAH-HLLBOEOZSA-N	1	0	351.491	1.130	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]Cc2cn(C(C)(C)C)nn2)[C@H](C)C1	ZINC001107063614	900449492	/nfs/dbraw/zinc/44/94/92/900449492.db2.gz	VEHRLTTUIXNTNP-HZPDHXFCSA-N	1	0	363.506	1.810	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]Cc2csnc2OC)[C@H](C)C1	ZINC001107065121	900453471	/nfs/dbraw/zinc/45/34/71/900453471.db2.gz	GMTQGXCCKREEKN-ZIAGYGMSSA-N	1	0	353.488	1.929	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(OCC)s2)[C@H](C)C1	ZINC001107065418	900454997	/nfs/dbraw/zinc/45/49/97/900454997.db2.gz	NNDCHYBERARHOD-HZSPNIEDSA-N	1	0	368.503	1.712	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(F)s2)C[C@H]1C	ZINC001107071369	900497277	/nfs/dbraw/zinc/49/72/77/900497277.db2.gz	KGXRFTLXLJSCHX-JHJVBQTASA-N	1	0	353.463	1.876	20	30		FDEDRO
CC(C)[C@H](C)NC(=O)CO[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1	ZINC000072921425	900562044	/nfs/dbraw/zinc/56/20/44/900562044.db2.gz	DBZAYTPBUSUPEK-AWEZNQCLSA-N	1	0	362.474	1.445	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)COc2ccc(F)c(F)c2)C[C@H]1C	ZINC001107087194	900717904	/nfs/dbraw/zinc/71/79/04/900717904.db2.gz	TUAYQBZLWTXVNZ-HUUCEWRRSA-N	1	0	366.408	1.678	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cccnc2)C3)CC1	ZINC000995623727	900729537	/nfs/dbraw/zinc/72/95/37/900729537.db2.gz	FDYPEOKPTLXXHV-QYZOEREBSA-N	1	0	366.465	1.289	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CCNc2ccncc2C#N)CC[N@@H+]1C	ZINC001063853556	901169638	/nfs/dbraw/zinc/16/96/38/901169638.db2.gz	UGHVEUVRJVBOHL-KBAYOESNSA-N	1	0	355.486	1.898	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CCNc2cncc(C#N)n2)CC[N@@H+]1C	ZINC001063853476	901170059	/nfs/dbraw/zinc/17/00/59/901170059.db2.gz	QIGVIXHZUZEFOC-HYVNUMGLSA-N	1	0	356.474	1.872	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2nc(C)c[nH]2)[C@@H](n2ccnn2)C1	ZINC001129313127	901280991	/nfs/dbraw/zinc/28/09/91/901280991.db2.gz	XZORMPBUFYTTTN-CVEARBPZSA-N	1	0	357.462	1.711	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2cnc(C#N)cn2)CC[N@@H+]1C	ZINC001064544401	901396754	/nfs/dbraw/zinc/39/67/54/901396754.db2.gz	WNZZDQMOYHCUDQ-MXASKKJJSA-N	1	0	354.458	1.258	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC3(C2)CCN(c2cncc(C#N)n2)CC3)CC[N@@H+]1C	ZINC001064589334	901447027	/nfs/dbraw/zinc/44/70/27/901447027.db2.gz	CKYVITCDOHXOBE-NVXWUHKLSA-N	1	0	368.485	1.507	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCC2)N1CCN(c2ccc(F)cc2)CC1	ZINC000073162172	901756208	/nfs/dbraw/zinc/75/62/08/901756208.db2.gz	MSNCGJNMKFWEOE-UHFFFAOYSA-N	1	0	357.437	1.261	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2CN(c3cnc(C#N)cn3)C[C@H]21	ZINC001090340771	901757417	/nfs/dbraw/zinc/75/74/17/901757417.db2.gz	MMCZTBZCCPUQNU-NUEKZKHPSA-N	1	0	360.437	1.065	20	30		FDEDRO
C[NH+](C)C1(CC(=O)N2CC[C@H]3CN(c4cncc(C#N)n4)C[C@H]32)CCCC1	ZINC001090345842	901761778	/nfs/dbraw/zinc/76/17/78/901761778.db2.gz	IDCPDWVHTDTKLV-DOTOQJQBSA-N	1	0	368.485	1.650	20	30		FDEDRO
C[NH+](C)CCC(=O)N1CC[C@H]2CN(c3snc(Cl)c3C#N)C[C@H]21	ZINC001090353954	901810756	/nfs/dbraw/zinc/81/07/56/901810756.db2.gz	JELRWQKGWPUUSB-CMPLNLGQSA-N	1	0	353.879	1.657	20	30		FDEDRO
C[N@H+](CC(=O)N1CC[C@H]2CN(c3ccc(C#N)cn3)C[C@H]21)CC(C)(C)C	ZINC001090355979	901827764	/nfs/dbraw/zinc/82/77/64/901827764.db2.gz	RTUMVWKNVCXBJE-DLBZAZTESA-N	1	0	355.486	1.968	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C)C[C@@H]1O	ZINC001083934992	901912894	/nfs/dbraw/zinc/91/28/94/901912894.db2.gz	IEOUTWFGLZVHSD-MSOLQXFVSA-N	1	0	367.449	1.930	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001065197425	901914796	/nfs/dbraw/zinc/91/47/96/901914796.db2.gz	QXURXJFWAYTVIP-YESZJQIVSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C2=COCCO2)C1	ZINC001079122894	901920377	/nfs/dbraw/zinc/92/03/77/901920377.db2.gz	ZLJXWBCYWYTTRM-QZTJIDSGSA-N	1	0	358.438	1.525	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCO[C@H]2C=C)C1	ZINC001079143725	901953026	/nfs/dbraw/zinc/95/30/26/901953026.db2.gz	KSNJUNXIYJNQDX-NCYKPQTJSA-N	1	0	368.477	1.675	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCn2cncn2)CC[C@H]1c1ccc(F)cc1	ZINC001079148922	901977909	/nfs/dbraw/zinc/97/79/09/901977909.db2.gz	SMHDAJPTKGNFTE-ZWKOTPCHSA-N	1	0	357.433	1.968	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC(N)=O)CC[C@H]1c1ccc(F)cc1	ZINC001079149593	901978902	/nfs/dbraw/zinc/97/89/02/901978902.db2.gz	AGLPCZNKCNJIFY-LSDHHAIUSA-N	1	0	353.825	1.728	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCCN2C)CC[C@H]1c1ccc(F)cc1	ZINC001079151330	901984417	/nfs/dbraw/zinc/98/44/17/901984417.db2.gz	LSZVNKMFZKXJJZ-OTWHNJEPSA-N	1	0	361.461	1.616	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCn2ccnn2)CC[C@H]1c1ccc(F)cc1	ZINC001079151130	901984572	/nfs/dbraw/zinc/98/45/72/901984572.db2.gz	BEOFIHRCGKDGFU-ZWKOTPCHSA-N	1	0	357.433	1.968	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCCNC2=O)C1	ZINC001079136897	902006762	/nfs/dbraw/zinc/00/67/62/902006762.db2.gz	IZOFPBYMJQKIGS-IPMKNSEASA-N	1	0	371.481	1.163	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](OC)C1	ZINC000945986396	902022982	/nfs/dbraw/zinc/02/29/82/902022982.db2.gz	KVJIEHYAWQXPMQ-CAOSSQGBSA-N	1	0	351.491	1.271	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2csc(=O)[nH]2)C1	ZINC001079141466	902031913	/nfs/dbraw/zinc/03/19/13/902031913.db2.gz	GQARZRDFYTVIPP-IAGOWNOFSA-N	1	0	371.462	1.560	20	30		FDEDRO
C#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1	ZINC001079141580	902033967	/nfs/dbraw/zinc/03/39/67/902033967.db2.gz	NAIOQNHAQBMAGL-MJUUVYJYSA-N	1	0	369.509	1.424	20	30		FDEDRO
C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1c1cccc(F)c1	ZINC001079180201	902067244	/nfs/dbraw/zinc/06/72/44/902067244.db2.gz	GDTNOQZEZWQCHT-OCBCSQNSSA-N	1	0	356.401	1.604	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1c1cccc(F)c1	ZINC001079180235	902067481	/nfs/dbraw/zinc/06/74/81/902067481.db2.gz	IFFKXJPCEQNMGQ-JKSUJKDBSA-N	1	0	359.401	1.891	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)co2)CC[C@H]1c1ccc(F)cc1	ZINC001079157951	902077683	/nfs/dbraw/zinc/07/76/83/902077683.db2.gz	KTXHVBWGCOHHCP-DLBZAZTESA-N	1	0	369.396	1.739	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[NH+](CCCCCNC(=O)[C@]23C[C@H]2CCC3)CC1	ZINC001079163165	902090025	/nfs/dbraw/zinc/09/00/25/902090025.db2.gz	SYNHFPMSNVORJX-SQGPQFPESA-N	1	0	360.502	1.767	20	30		FDEDRO
C#CC[NH+]1CCC(N2C(=O)N[C@@H]3CN(C(=O)[C@]45C[C@H]4CCC5)CC[C@@H]32)CC1	ZINC001079165349	902094832	/nfs/dbraw/zinc/09/48/32/902094832.db2.gz	PIKTWZUGLLRSQM-LAVAIGHBSA-N	1	0	370.497	1.269	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+][C@@H]2CCCNC2=O)C1	ZINC001079183871	902127362	/nfs/dbraw/zinc/12/73/62/902127362.db2.gz	ZDCUCNHJGVHLGM-IPMKNSEASA-N	1	0	369.440	1.402	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1c1cccc(F)c1	ZINC001079189803	902143393	/nfs/dbraw/zinc/14/33/93/902143393.db2.gz	ZZGFMCTYBVTBEM-BPQIPLTHSA-N	1	0	359.445	1.812	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1c1cccc(F)c1	ZINC001079196563	902160766	/nfs/dbraw/zinc/16/07/66/902160766.db2.gz	VHGFBHDMWCXIDK-RRFJBIMHSA-N	1	0	366.824	1.144	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccc(=O)n2C)C[C@H]1c1cccc(F)c1	ZINC001079197471	902162526	/nfs/dbraw/zinc/16/25/26/902162526.db2.gz	LUFPKSOTGGJNSV-DLBZAZTESA-N	1	0	355.413	1.908	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CN(C(=O)c3cncnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079238000	902179052	/nfs/dbraw/zinc/17/90/52/902179052.db2.gz	BFVJDXZGQKPFQQ-ZWKOTPCHSA-N	1	0	356.470	1.996	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)cn2)C[C@H]1c1cccc(F)c1	ZINC001079212081	902196588	/nfs/dbraw/zinc/19/65/88/902196588.db2.gz	HVOLPDHRHMWGGF-FUHWJXTLSA-N	1	0	368.412	1.703	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3c(C)noc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079222036	902223454	/nfs/dbraw/zinc/22/34/54/902223454.db2.gz	PLPJFUIQJAHSIG-DLBZAZTESA-N	1	0	357.454	1.868	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)CCn3cncn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079223461	902225578	/nfs/dbraw/zinc/22/55/78/902225578.db2.gz	TXYVVYHVPTVCMD-DLBZAZTESA-N	1	0	359.474	1.184	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC2(CC[NH+](CC3CCOCC3)CC2)[C@H]2COC[C@H]21	ZINC001079228499	902244382	/nfs/dbraw/zinc/24/43/82/902244382.db2.gz	OUKWWOWUQZFIFH-BPQIPLTHSA-N	1	0	361.486	1.512	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)Cc3cnn(C)c3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079244740	902249756	/nfs/dbraw/zinc/24/97/56/902249756.db2.gz	CFTCFIYOLZYDFC-RBUKOAKNSA-N	1	0	370.497	1.234	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3ccnn3CCC)[C@@H]3COC[C@@H]32)CC1	ZINC001079244952	902252018	/nfs/dbraw/zinc/25/20/18/902252018.db2.gz	OFTHUBGGTZPVNJ-PKOBYXMFSA-N	1	0	370.497	1.869	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cnn4c3CCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079245126	902254427	/nfs/dbraw/zinc/25/44/27/902254427.db2.gz	YIGMYVHWTFCYLM-FUHWJXTLSA-N	1	0	354.454	1.016	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cnc4n[nH]nc4c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079246290	902258551	/nfs/dbraw/zinc/25/85/51/902258551.db2.gz	ZZXWIUQDXPRJQA-GOEBONIOSA-N	1	0	368.441	1.092	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCCC(=O)N3)[C@@H]3COC[C@@H]32)CC1	ZINC001079247016	902259619	/nfs/dbraw/zinc/25/96/19/902259619.db2.gz	GTEURVNFBVHOHC-GVDBMIGSSA-N	1	0	361.486	1.171	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3[nH]c(=O)[nH]c3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079247361	902261407	/nfs/dbraw/zinc/26/14/07/902261407.db2.gz	ZXIPKZSOIBRANG-LSDHHAIUSA-N	1	0	360.458	1.553	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cnn(CCF)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079248403	902265546	/nfs/dbraw/zinc/26/55/46/902265546.db2.gz	XMHAVVNSTHUSNR-DLBZAZTESA-N	1	0	360.433	1.039	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC(=O)NC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079250238	902268389	/nfs/dbraw/zinc/26/83/89/902268389.db2.gz	UPTNRFDLDXMTIN-IXDOHACOSA-N	1	0	361.486	1.028	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC3(CC[NH+](CCF)CC3)[C@H]3COC[C@H]32)c1	ZINC001079259601	902295798	/nfs/dbraw/zinc/29/57/98/902295798.db2.gz	JJCMNLDBXVYPRD-ZWKOTPCHSA-N	1	0	357.429	1.585	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)C[C@@H](C)n3ccnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079263697	902306953	/nfs/dbraw/zinc/30/69/53/902306953.db2.gz	HRSRJLPOYVGVCE-CEXWTWQISA-N	1	0	370.497	1.797	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH]cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079265384	902310685	/nfs/dbraw/zinc/31/06/85/902310685.db2.gz	GZUSRQMWEMXORD-RYQLBKOJSA-N	1	0	356.470	1.161	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CN(C(=O)c3cnn(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079267601	902316964	/nfs/dbraw/zinc/31/69/64/902316964.db2.gz	YOOHIPPANUDSLE-DOTOQJQBSA-N	1	0	359.474	1.334	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ncoc3C3CC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269073	902322326	/nfs/dbraw/zinc/32/23/26/902322326.db2.gz	DTIJIZDQCZIAFK-JKSUJKDBSA-N	1	0	355.438	1.738	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCc4nc[nH]c4C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269198	902323957	/nfs/dbraw/zinc/32/39/57/902323957.db2.gz	MFGUVVSUAOTACK-JTDSTZFVSA-N	1	0	370.497	1.640	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cc(CC)on3)[C@@H]3COC[C@@H]32)CC1	ZINC001079270290	902328164	/nfs/dbraw/zinc/32/81/64/902328164.db2.gz	LCWMVBMFTZUELE-FUHWJXTLSA-N	1	0	357.454	1.813	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3ccc(=O)[nH]c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079272591	902335898	/nfs/dbraw/zinc/33/58/98/902335898.db2.gz	NYOQVZDUTJOZTP-DLBZAZTESA-N	1	0	355.438	1.364	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCNC(=O)C2)C[C@H]1c1ccccc1F	ZINC001079300620	902346228	/nfs/dbraw/zinc/34/62/28/902346228.db2.gz	QJHZTGPNYCLYKX-XAUMDUMWSA-N	1	0	357.429	1.259	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cc(C)nn2C)C[C@H]1c1ccccc1F	ZINC001079302783	902353547	/nfs/dbraw/zinc/35/35/47/902353547.db2.gz	JPYFTRXYXFNHHS-PKOBYXMFSA-N	1	0	354.429	1.628	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@@H](C)c3cnn(C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079276722	902361945	/nfs/dbraw/zinc/36/19/45/902361945.db2.gz	ZDDPPSVTARRXQT-RYQLBKOJSA-N	1	0	358.486	1.649	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CCn2cncn2)C1	ZINC001079286863	902381506	/nfs/dbraw/zinc/38/15/06/902381506.db2.gz	DICULSOKVWHPJG-JLJPHGGASA-N	1	0	356.405	1.161	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1c1ccccc1F	ZINC001079296502	902400307	/nfs/dbraw/zinc/40/03/07/902400307.db2.gz	DABKACOVTMMJPM-UWWQBHOKSA-N	1	0	359.445	1.764	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nnn(C(C)(C)C)n2)C[C@H]1c1ccccc1F	ZINC001079296875	902403151	/nfs/dbraw/zinc/40/31/51/902403151.db2.gz	WGWCOXRYIDXRGJ-GOEBONIOSA-N	1	0	370.432	1.398	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)s2)C[C@H]1c1ccccc1F	ZINC001079314766	902408864	/nfs/dbraw/zinc/40/88/64/902408864.db2.gz	KCDVXUVKTCTKII-DZGCQCFKSA-N	1	0	371.437	1.817	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1c1ccccc1F	ZINC001079317256	902414368	/nfs/dbraw/zinc/41/43/68/902414368.db2.gz	XPELVKZVPJUOJD-DOTOQJQBSA-N	1	0	358.421	1.363	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@H]1c1ccccc1F	ZINC001079320805	902421799	/nfs/dbraw/zinc/42/17/99/902421799.db2.gz	KMZYIDLTJCNXCH-DZGCQCFKSA-N	1	0	369.400	1.098	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2c(C)nn(C)c2C)C[C@H]1c1ccccc1F	ZINC001079305350	902436563	/nfs/dbraw/zinc/43/65/63/902436563.db2.gz	YMRRIUZUEOASOX-AZUAARDMSA-N	1	0	368.456	1.936	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3nn[nH]c32)C[C@H]1c1ccccc1F	ZINC001079308505	902441706	/nfs/dbraw/zinc/44/17/06/902441706.db2.gz	JIYVYDHWJSSCBS-RVKKMQEKSA-N	1	0	367.428	1.581	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C3CCOCC3)C2)cc1C#N	ZINC001079341273	902458889	/nfs/dbraw/zinc/45/88/89/902458889.db2.gz	SAPOAYYQFVSRBC-RDTXWAMCSA-N	1	0	357.454	1.930	20	30		FDEDRO
C=C(Br)C[NH2+][C@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)CC1(C)C	ZINC000995926482	902640188	/nfs/dbraw/zinc/64/01/88/902640188.db2.gz	VROFQTCBGNPKLN-AVGNSLFASA-N	1	0	361.280	1.526	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)Cc1cc[nH]n1	ZINC001079515280	902743628	/nfs/dbraw/zinc/74/36/28/902743628.db2.gz	WVRYAEZGNNLCJJ-RDTXWAMCSA-N	1	0	353.426	1.491	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H](O)Cc2ccc(F)cc2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC001079601350	902900658	/nfs/dbraw/zinc/90/06/58/902900658.db2.gz	UXBJXJDMPLIGBR-ZNZDAUKMSA-N	1	0	370.428	1.679	20	30		FDEDRO
C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(C#N)[nH]2)C3)CC1	ZINC000996090609	903061579	/nfs/dbraw/zinc/06/15/79/903061579.db2.gz	KANVRPHFBYOMGE-PVAVHDDUSA-N	1	0	355.442	1.090	20	30		FDEDRO
C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C)N1C(=O)CCC1=O	ZINC001079802961	903374045	/nfs/dbraw/zinc/37/40/45/903374045.db2.gz	AUMISHKEPDXKJZ-JKIFEVAISA-N	1	0	368.437	1.032	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)C[C@H]1CCNC1=O	ZINC001079841584	903480157	/nfs/dbraw/zinc/48/01/57/903480157.db2.gz	VZDJCGXQWGKDMS-QGPMSJSTSA-N	1	0	370.453	1.052	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)nc2C)C[C@H]1C	ZINC001079878097	903600792	/nfs/dbraw/zinc/60/07/92/903600792.db2.gz	GALZSDVNNHALHQ-YSGRDPCXSA-N	1	0	354.498	1.733	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(CC)C(=O)[C@H](C2CC2)[NH+](C)C)C1	ZINC001079947303	903742342	/nfs/dbraw/zinc/74/23/42/903742342.db2.gz	VEEXHKVQADIWFY-BZSNNMDCSA-N	1	0	363.502	1.367	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1	ZINC000764208942	904042718	/nfs/dbraw/zinc/04/27/18/904042718.db2.gz	OYAHTBCJPRAWHP-KRWDZBQOSA-N	1	0	351.878	1.947	20	30		FDEDRO
Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)s1	ZINC001107253630	904145044	/nfs/dbraw/zinc/14/50/44/904145044.db2.gz	DGPDVONLKGEZAH-CRAIPNDOSA-N	1	0	360.483	1.671	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(C)c3)CCC[C@@H]12	ZINC001107266845	904226827	/nfs/dbraw/zinc/22/68/27/904226827.db2.gz	RHHLGSPIGBCXMW-WIYYLYMNSA-N	1	0	353.466	1.719	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)CNC(N)=O)CCC[C@@H]23)cc1	ZINC001107277307	904268477	/nfs/dbraw/zinc/26/84/77/904268477.db2.gz	OUICIAAZSGKFPP-VQIMIIECSA-N	1	0	355.442	1.087	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C)nc3)CCC[C@@H]12	ZINC001107281436	904286773	/nfs/dbraw/zinc/28/67/73/904286773.db2.gz	BWCFYDLGFBDSAA-YLJYHZDGSA-N	1	0	354.454	1.114	20	30		FDEDRO
CC(C)(C)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CSCC#N)CCC[C@@H]12	ZINC001107289521	904307893	/nfs/dbraw/zinc/30/78/93/904307893.db2.gz	BRMVEBYWRWIRGI-RDTXWAMCSA-N	1	0	366.531	1.519	20	30		FDEDRO
CCN(C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CSCC#N)CCC[C@@H]12	ZINC001107289847	904310896	/nfs/dbraw/zinc/31/08/96/904310896.db2.gz	UARKAWKUZJRJJT-RHSMWYFYSA-N	1	0	352.504	1.082	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C1CCN(C(=O)[C@]23C[C@H]2COC3)CC1	ZINC000996605765	904381001	/nfs/dbraw/zinc/38/10/01/904381001.db2.gz	DSSJJNLSPLDSCX-JXFKEZNVSA-N	1	0	355.438	1.684	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(C)CC)CC2	ZINC001107318018	904441849	/nfs/dbraw/zinc/44/18/49/904441849.db2.gz	GWKSDIRMJIEZAC-MBOZVWFJSA-N	1	0	365.518	1.807	20	30		FDEDRO
CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)C#N)CCC[C@@H]12	ZINC001107338736	904515670	/nfs/dbraw/zinc/51/56/70/904515670.db2.gz	WEZYZPNTHIQLJR-JFIYKMOQSA-N	1	0	369.531	1.720	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ncccc3C)CCC[C@@H]12	ZINC001107349875	904552792	/nfs/dbraw/zinc/55/27/92/904552792.db2.gz	WAMVHUCDUGRORC-OXQOHEQNSA-N	1	0	356.470	1.667	20	30		FDEDRO
CCCCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C#N)[nH]3)CCC[C@@H]12	ZINC001107363738	904562152	/nfs/dbraw/zinc/56/21/52/904562152.db2.gz	NZDCKUCXCRUENF-YLJYHZDGSA-N	1	0	371.485	1.777	20	30		FDEDRO
C[C@H]1CN(C(=O)NCc2cc(C#N)ccc2F)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000764418598	904599104	/nfs/dbraw/zinc/59/91/04/904599104.db2.gz	KOJUFLQQEWEKDZ-HNAYVOBHSA-N	1	0	373.476	1.865	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnc(C)cn1)CC2	ZINC001107380841	904648206	/nfs/dbraw/zinc/64/82/06/904648206.db2.gz	ARORZDAYRXFNLE-YZGWKJHDSA-N	1	0	358.486	1.973	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C)sn3)CCC[C@@H]12	ZINC001107380967	904650085	/nfs/dbraw/zinc/65/00/85/904650085.db2.gz	CWRJJLHGMSFHHX-CRAIPNDOSA-N	1	0	362.499	1.728	20	30		FDEDRO
CCc1[nH]ccc1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107388645	904680472	/nfs/dbraw/zinc/68/04/72/904680472.db2.gz	UYCCVMQLKPLQPY-VQIMIIECSA-N	1	0	357.458	1.191	20	30		FDEDRO
CS(=O)(=O)CCC[N@@H+]1CC[C@@]2(CNC(=O)C#CC3CC3)CCC[C@@H]12	ZINC001107400020	904732047	/nfs/dbraw/zinc/73/20/47/904732047.db2.gz	VWTNDDCQFZAKLD-SJLPKXTDSA-N	1	0	352.500	1.195	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnc(C)cn1)CC2	ZINC001107402716	904739341	/nfs/dbraw/zinc/73/93/41/904739341.db2.gz	PVPZYHQIONFCMY-ILZDJORESA-N	1	0	356.470	1.684	20	30		FDEDRO
C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCCCC)CC2	ZINC001107402721	904739644	/nfs/dbraw/zinc/73/96/44/904739644.db2.gz	QAKDJWFLHPNUTK-MBOZVWFJSA-N	1	0	363.502	1.302	20	30		FDEDRO
CO[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC001081563274	904770470	/nfs/dbraw/zinc/77/04/70/904770470.db2.gz	HCCVTVQLHOFKDE-QZTJIDSGSA-N	1	0	354.410	1.008	20	30		FDEDRO
CO[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC001081563489	904772326	/nfs/dbraw/zinc/77/23/26/904772326.db2.gz	RMZGHZUSYQTWBQ-KZNAEPCWSA-N	1	0	354.410	1.049	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)NC(=O)CC(F)(F)F)CCC[C@@H]12	ZINC001107417391	904788706	/nfs/dbraw/zinc/78/87/06/904788706.db2.gz	FLEQIYCYROTTBG-XJKCOSOUSA-N	1	0	361.408	1.990	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(N)=O)CC2	ZINC001107419368	904800531	/nfs/dbraw/zinc/80/05/31/904800531.db2.gz	UAGGKWAADZSEOH-SJKOYZFVSA-N	1	0	370.881	1.321	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCn3ccccc3=O)CCC[C@@H]12	ZINC001107429441	904865877	/nfs/dbraw/zinc/86/58/77/904865877.db2.gz	MEMGZPNYKOPWCI-WIYYLYMNSA-N	1	0	371.481	1.249	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cnc(C4CC4)o3)CCC[C@@H]12	ZINC001107439628	904921630	/nfs/dbraw/zinc/92/16/30/904921630.db2.gz	JXPQLHJEKHLQSL-OXQOHEQNSA-N	1	0	370.453	1.276	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)[C@H](OC)C1	ZINC001081680868	904928445	/nfs/dbraw/zinc/92/84/45/904928445.db2.gz	NVYOKANKLCJXSB-BRSBDYLESA-N	1	0	358.486	1.545	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N(CC)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001080199787	904933272	/nfs/dbraw/zinc/93/32/72/904933272.db2.gz	OVPPEPHNNZIJEW-OXQOHEQNSA-N	1	0	367.493	1.610	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CCN(C)C3=O)CCC[C@@H]12	ZINC001107446476	904957413	/nfs/dbraw/zinc/95/74/13/904957413.db2.gz	JOVLQGUZUVYIBX-MBOZVWFJSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=C(CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccccc1	ZINC000495349998	905025508	/nfs/dbraw/zinc/02/55/08/905025508.db2.gz	XPDWEOZHXIIDMW-UHFFFAOYSA-N	1	0	358.486	1.942	20	30		FDEDRO
COc1nn(C)cc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C	ZINC001080252109	905043350	/nfs/dbraw/zinc/04/33/50/905043350.db2.gz	BWUGNMDDGCGOFZ-CXAGYDPISA-N	1	0	353.426	1.551	20	30		FDEDRO
N#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[NH+]4CCC2CC4)C3)[nH]1	ZINC000996723165	905048948	/nfs/dbraw/zinc/04/89/48/905048948.db2.gz	CUSYPYIFFZWJLY-FZCLSBEQSA-N	1	0	367.453	1.090	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccn4c[nH+]cc4c3)CCC[C@@H]12	ZINC001107461354	905064539	/nfs/dbraw/zinc/06/45/39/905064539.db2.gz	FNDRVRMWJXLHEM-TZIWHRDSSA-N	1	0	366.465	1.959	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@@H]1CCC(=O)N1C	ZINC001080281104	905122057	/nfs/dbraw/zinc/12/20/57/905122057.db2.gz	OTKFKVAJADJUEI-OLMNPRSZSA-N	1	0	370.453	1.146	20	30		FDEDRO
CC(C)N1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)C1	ZINC001080325057	905158181	/nfs/dbraw/zinc/15/81/81/905158181.db2.gz	OSTXSAZQAGXRLR-AHRSYUTCSA-N	1	0	370.497	1.604	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3ccccn3)CCC[C@@H]12	ZINC001107496460	905201539	/nfs/dbraw/zinc/20/15/39/905201539.db2.gz	ACHOSRLMNKJLTB-WIYYLYMNSA-N	1	0	368.481	1.124	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CCCS3(=O)=O)CCC[C@@H]12	ZINC001107488486	905210418	/nfs/dbraw/zinc/21/04/18/905210418.db2.gz	KEZZNJCLOJYMDT-LZLYRXPVSA-N	1	0	354.516	1.891	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC)CC2	ZINC001107489163	905214193	/nfs/dbraw/zinc/21/41/93/905214193.db2.gz	OMAQNLYJXXFNAN-LSTHTHJFSA-N	1	0	365.518	1.712	20	30		FDEDRO
C[C@H](CC(N)=O)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2	ZINC001107499142	905232519	/nfs/dbraw/zinc/23/25/19/905232519.db2.gz	BCUSLFVQUFNIDK-SFGWALBWSA-N	1	0	367.493	1.910	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(N)=O)CC2	ZINC001107514635	905310051	/nfs/dbraw/zinc/31/00/51/905310051.db2.gz	PBSSGBMENFPEDO-PMUMKWKESA-N	1	0	350.463	1.144	20	30		FDEDRO
C=CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCN(C)S(C)(=O)=O)CC2	ZINC001107523984	905361971	/nfs/dbraw/zinc/36/19/71/905361971.db2.gz	AHXIUEBIUVBUNS-SJLPKXTDSA-N	1	0	371.547	1.595	20	30		FDEDRO
C=CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H](O)COCCOC)CC2	ZINC001107524075	905362742	/nfs/dbraw/zinc/36/27/42/905362742.db2.gz	GNOGYHDPKTXZGT-NLWGTHIKSA-N	1	0	368.518	1.727	20	30		FDEDRO
COc1ccc(C#N)cc1CN1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1	ZINC001080446722	905451079	/nfs/dbraw/zinc/45/10/79/905451079.db2.gz	PNUYNKZWZPWTIN-GPMSIDNRSA-N	1	0	370.497	1.845	20	30		FDEDRO
C=C1CC(C)(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCNS(C)(=O)=O)CC3)C1	ZINC001107543605	905468878	/nfs/dbraw/zinc/46/88/78/905468878.db2.gz	OVJMMFQRNYJYNF-CRAIPNDOSA-N	1	0	369.531	1.253	20	30		FDEDRO
N#CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3C[C@H]3c3ccco3)CC2)CC1	ZINC000996789430	905527671	/nfs/dbraw/zinc/52/76/71/905527671.db2.gz	NDYKRFCEDKZJCE-OPQOLIRYSA-N	1	0	356.470	1.952	20	30		FDEDRO
C[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2)C(C)(F)F	ZINC001107554697	905569192	/nfs/dbraw/zinc/56/91/92/905569192.db2.gz	JXAROCPJWICELA-PBFPGSCMSA-N	1	0	356.417	1.278	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)COC3CCOCC3)CCC[C@@H]12	ZINC001107563939	905607551	/nfs/dbraw/zinc/60/75/51/905607551.db2.gz	CJDBIVGQWVNTRR-UYAOXDASSA-N	1	0	364.486	1.193	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)OCCOC)CCC[C@@H]12	ZINC001107567219	905675441	/nfs/dbraw/zinc/67/54/41/905675441.db2.gz	OBKSNQCCJJVHOS-YQVWRLOYSA-N	1	0	354.491	1.601	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1	ZINC001080561589	905687607	/nfs/dbraw/zinc/68/76/07/905687607.db2.gz	XOKPMYQLINUVII-NXHRZFHOSA-N	1	0	363.502	1.369	20	30		FDEDRO
C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)Nc1ccc(C#N)nn1	ZINC001098288352	905693686	/nfs/dbraw/zinc/69/36/86/905693686.db2.gz	LBHWMQDVQXZODK-QGTPRVQTSA-N	1	0	364.453	1.610	20	30		FDEDRO
CO[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC001082066254	905703294	/nfs/dbraw/zinc/70/32/94/905703294.db2.gz	IHDCVBGXEJPOQS-MJUUVYJYSA-N	1	0	369.509	1.584	20	30		FDEDRO
CO[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC001082066590	905707076	/nfs/dbraw/zinc/70/70/76/905707076.db2.gz	ZZDZLXADLMOXRS-KCUHQSDYSA-N	1	0	370.497	1.604	20	30		FDEDRO
CC(C)c1nnnn1CC(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C	ZINC001080581458	905739460	/nfs/dbraw/zinc/73/94/60/905739460.db2.gz	QVKLIPIWCVGCRH-RHSMWYFYSA-N	1	0	367.457	1.305	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](CCC[C@@H]3CCOC3)C[C@H]2C)nn1	ZINC001080589724	905758264	/nfs/dbraw/zinc/75/82/64/905758264.db2.gz	IIEXKSDUSMBZCD-BRWVUGGUSA-N	1	0	361.490	1.721	20	30		FDEDRO
CCc1c[nH]c(=O)c(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC#CCOC)CC3)c1	ZINC001107593346	905874675	/nfs/dbraw/zinc/87/46/75/905874675.db2.gz	JOTYAZLZEFIYBK-WIYYLYMNSA-N	1	0	371.481	1.974	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cnoc3C3CC3)CCC[C@@H]12	ZINC001107594357	905879780	/nfs/dbraw/zinc/87/97/80/905879780.db2.gz	LHBWHXONJUVSQL-OXQOHEQNSA-N	1	0	370.453	1.276	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C	ZINC001082133506	905929835	/nfs/dbraw/zinc/92/98/35/905929835.db2.gz	FPKJSZLCFMSDJQ-KFKAGJAMSA-N	1	0	356.470	1.358	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)CCc3ccccc3C(N)=O)CCC[C@@H]12	ZINC001107608294	905953441	/nfs/dbraw/zinc/95/34/41/905953441.db2.gz	LKIKORUVEJJNHD-WIYYLYMNSA-N	1	0	353.466	1.712	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)c3ccccc3)CCC[C@@H]12	ZINC001107614716	905998949	/nfs/dbraw/zinc/99/89/49/905998949.db2.gz	JXMOSGVXOWMZNX-SFGWALBWSA-N	1	0	367.493	1.900	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)c3cccc(F)c3)CCC[C@@H]12	ZINC001107625255	906037327	/nfs/dbraw/zinc/03/73/27/906037327.db2.gz	NNNGXFFAHAEVSY-WIYYLYMNSA-N	1	0	371.456	1.940	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)Cc3ccccc3)CCC[C@@H]12	ZINC001107625604	906040009	/nfs/dbraw/zinc/04/00/09/906040009.db2.gz	DVPGLACQLINDBI-DENIHFKCSA-N	1	0	367.493	1.729	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CNS(=O)(=O)CCCC)CCC[C@@H]12	ZINC001107620195	906054280	/nfs/dbraw/zinc/05/42/80/906054280.db2.gz	BYJJARZIRTVXQK-SJLPKXTDSA-N	1	0	369.531	1.090	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3c(C)n[nH]c3C)CCC[C@@H]12	ZINC001107631330	906073825	/nfs/dbraw/zinc/07/38/25/906073825.db2.gz	HLSJNKXONIRCSJ-UYAOXDASSA-N	1	0	358.486	1.580	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)CCCNC(=O)c3ccco3)CCC[C@@H]12	ZINC001107631381	906074506	/nfs/dbraw/zinc/07/45/06/906074506.db2.gz	IXEYZCNZTFZIFN-YLJYHZDGSA-N	1	0	357.454	1.784	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3ccc(C)nc3)CCC[C@@H]12	ZINC001107633736	906154393	/nfs/dbraw/zinc/15/43/93/906154393.db2.gz	BBYUNGRSFKMCSE-TZIWHRDSSA-N	1	0	355.482	1.943	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)C3CCC3)CCC[C@@H]12	ZINC001107644752	906168235	/nfs/dbraw/zinc/16/82/35/906168235.db2.gz	GMPFVKZNXRADOM-YLJYHZDGSA-N	1	0	363.502	1.466	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4c[nH]nc4C3)CCC[C@@H]12	ZINC001107638570	906182432	/nfs/dbraw/zinc/18/24/32/906182432.db2.gz	GXJYQDMHFWFIFJ-OZOXKJRCSA-N	1	0	370.497	1.525	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCS3(=O)=O)CCC[C@@H]12	ZINC001107638751	906184701	/nfs/dbraw/zinc/18/47/01/906184701.db2.gz	KWIJDBPEYPDNRX-LZLYRXPVSA-N	1	0	370.515	1.127	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CN(CC)CCO3)CCC[C@@H]12	ZINC001107639174	906191365	/nfs/dbraw/zinc/19/13/65/906191365.db2.gz	ZHSMVTNXIQRPRE-QWFCFKBJSA-N	1	0	365.518	1.271	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1CCc2n[nH]nc2C1	ZINC001080772639	906212079	/nfs/dbraw/zinc/21/20/79/906212079.db2.gz	BYNUFRGYVWBHOC-ACWOFJMJSA-N	1	0	364.453	1.418	20	30		FDEDRO
C=CCCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(C)C)CC2	ZINC001107649013	906281342	/nfs/dbraw/zinc/28/13/42/906281342.db2.gz	GDXWCXMTGAUQTH-VQIMIIECSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(C)CC)CC2	ZINC001107649292	906282407	/nfs/dbraw/zinc/28/24/07/906282407.db2.gz	QMJBCPGBXJQMQD-VQIMIIECSA-N	1	0	351.491	1.418	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1C	ZINC001080806876	906291412	/nfs/dbraw/zinc/29/14/12/906291412.db2.gz	KTHDKWPWGHEPEV-RHSMWYFYSA-N	1	0	370.478	1.843	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](NC(=O)c2cnc([C@@H]3CCCO3)s2)[C@H](OC)C1	ZINC001082213150	906297605	/nfs/dbraw/zinc/29/76/05/906297605.db2.gz	NNGDTFWGIZFHAS-HZSPNIEDSA-N	1	0	351.472	2.000	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C)C[C@H]2OC)nn1	ZINC001082219135	906323887	/nfs/dbraw/zinc/32/38/87/906323887.db2.gz	WKJCRUNYOMGEAN-IEBWSBKVSA-N	1	0	369.469	1.792	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1	ZINC001082303306	906688768	/nfs/dbraw/zinc/68/87/68/906688768.db2.gz	YCSONIVLLFYKSR-KSZLIROESA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cc2csc(COC)n2)[C@H](OC)C1	ZINC001082312698	906738737	/nfs/dbraw/zinc/73/87/37/906738737.db2.gz	TVPILSCJHAHGPW-HUUCEWRRSA-N	1	0	353.488	1.614	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)C3CCCCC3)C[C@H]2OC)nc1	ZINC001082331653	906808851	/nfs/dbraw/zinc/80/88/51/906808851.db2.gz	XIEIANMZYMPVGV-HSALFYBXSA-N	1	0	371.481	1.433	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1OC	ZINC001082332025	906811968	/nfs/dbraw/zinc/81/19/68/906811968.db2.gz	PJKBIFDCLVYDIS-IAGOWNOFSA-N	1	0	359.470	1.959	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@H]2OC)nc1	ZINC001082333707	906827688	/nfs/dbraw/zinc/82/76/88/906827688.db2.gz	VPDPWMHRWPKZFO-RTBURBONSA-N	1	0	357.454	1.309	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2csnc2OC)CC1	ZINC000997011010	906923590	/nfs/dbraw/zinc/92/35/90/906923590.db2.gz	GBODGDAQNOLVDN-CABCVRRESA-N	1	0	351.472	1.823	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC000997029735	906961746	/nfs/dbraw/zinc/96/17/46/906961746.db2.gz	RDYPWSTZNZFEHY-ICUGJSFKSA-N	1	0	369.469	1.478	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3ccccc3C#N)C[C@H]2C)CC1	ZINC001080997442	906970749	/nfs/dbraw/zinc/97/07/49/906970749.db2.gz	DHGIUFKTDFVDKY-DYESRHJHSA-N	1	0	364.493	1.840	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCN2CCCC2=O)C1	ZINC001081096957	907152314	/nfs/dbraw/zinc/15/23/14/907152314.db2.gz	SUNXWDHDYDPJMJ-RYQLBKOJSA-N	1	0	354.454	1.353	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3nc(C)nn3C2)C[C@H]1c1ccccc1	ZINC001081151242	907264311	/nfs/dbraw/zinc/26/43/11/907264311.db2.gz	CPULUEIKSRPNOV-GBESFXJTSA-N	1	0	365.481	1.919	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1	ZINC001081157670	907276088	/nfs/dbraw/zinc/27/60/88/907276088.db2.gz	BUGURQAFNJRGQE-GVDBMIGSSA-N	1	0	369.465	1.588	20	30		FDEDRO
CO[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)Cc1ccc[nH]1	ZINC001082378020	907323413	/nfs/dbraw/zinc/32/34/13/907323413.db2.gz	RNPXXYMJUJBVQU-RTBURBONSA-N	1	0	368.437	1.475	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN(C(=O)CCC)C2)[C@H](OC)C1	ZINC001082382945	907370658	/nfs/dbraw/zinc/37/06/58/907370658.db2.gz	BHULCASBCDRRNR-BRWVUGGUSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1c1ccccc1	ZINC001081197239	907378692	/nfs/dbraw/zinc/37/86/92/907378692.db2.gz	QTZPORADFPMHNY-DLBZAZTESA-N	1	0	355.438	1.200	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N2CCCC2=O)C[C@H]1c1ccccc1	ZINC001081233168	907433551	/nfs/dbraw/zinc/43/35/51/907433551.db2.gz	UUHPWQKOIACQMZ-ZVDOUQERSA-N	1	0	367.493	1.851	20	30		FDEDRO
C#CCC[NH2+]Cc1ccncc1O[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C=C)C1	ZINC001127897807	907571524	/nfs/dbraw/zinc/57/15/24/907571524.db2.gz	BBLWPIYIKVERCU-OTWHNJEPSA-N	1	0	369.465	1.765	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082415481	907644423	/nfs/dbraw/zinc/64/44/23/907644423.db2.gz	HLSDSKFQVYGMSI-DNVCBOLYSA-N	1	0	366.421	1.473	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cc[n+]([O-])cc3)C[C@H]2C)cc1C#N	ZINC001082415543	907646694	/nfs/dbraw/zinc/64/66/94/907646694.db2.gz	MFPNNXXAGLLLQF-RDTXWAMCSA-N	1	0	366.421	1.451	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2cccn2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082427835	907673084	/nfs/dbraw/zinc/67/30/84/907673084.db2.gz	MDLFYOGJQDWVRH-RDTXWAMCSA-N	1	0	355.417	1.921	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)C[C@@H]2COC(=O)C2)C[C@H]1C	ZINC001082474577	907930172	/nfs/dbraw/zinc/93/01/72/907930172.db2.gz	VEKBZPCUBYTPPP-UKPHBRMFSA-N	1	0	371.437	1.457	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2COC(=O)C2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082475079	907932433	/nfs/dbraw/zinc/93/24/33/907932433.db2.gz	GVHYXGKGCLPYIY-SUYBPPKGSA-N	1	0	359.401	1.587	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cnn(C4CCC4)c3)C[C@H]2C)C1=O	ZINC001082510168	908033019	/nfs/dbraw/zinc/03/30/19/908033019.db2.gz	BEXHOTQUEKMQMW-FHLIZLRMSA-N	1	0	371.485	1.445	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082506574	908135503	/nfs/dbraw/zinc/13/55/03/908135503.db2.gz	QWMRRKCDYIGCRJ-FZKQIMNGSA-N	1	0	355.417	1.610	20	30		FDEDRO
COc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)s3)C2)ncn1	ZINC001082514948	908181014	/nfs/dbraw/zinc/18/10/14/908181014.db2.gz	PKWDKXXBUDQSQU-IAQYHMDHSA-N	1	0	357.439	1.669	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCc2ccnn2C)CC1	ZINC000997308782	908228731	/nfs/dbraw/zinc/22/87/31/908228731.db2.gz	JMCGZNLAVAVTEJ-LZQZEXGQSA-N	1	0	360.502	1.770	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3cccc(C)c3)C[C@H]2O)nn1	ZINC001077801326	908302850	/nfs/dbraw/zinc/30/28/50/908302850.db2.gz	MRCXSOIZYROHNX-QGPMSJSTSA-N	1	0	355.442	1.309	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc(C)nc(C)c3)C[C@H]2C)C1=O	ZINC001082534830	908312593	/nfs/dbraw/zinc/31/25/93/908312593.db2.gz	UGYZBPABGRXMTB-FSPWUOQZSA-N	1	0	356.470	1.535	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1=COCCO1	ZINC001085125039	921405943	/nfs/dbraw/zinc/40/59/43/921405943.db2.gz	WULDYLVWXWWBKI-IAGOWNOFSA-N	1	0	371.437	1.972	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC)C2)C[C@H]1C	ZINC001082542315	908413582	/nfs/dbraw/zinc/41/35/82/908413582.db2.gz	CTIDIIGMEGAYHP-KGYLQXTDSA-N	1	0	358.280	1.200	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@]2(C)CN(CC#Cc3ccccc3)CCO2)CC[N@@H+]1C	ZINC001107954639	908489159	/nfs/dbraw/zinc/48/91/59/908489159.db2.gz	UBGIODFAQDLTIS-SYYKKAFVSA-N	1	0	369.509	1.585	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCC(=O)NC2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082554938	908548561	/nfs/dbraw/zinc/54/85/61/908548561.db2.gz	LKVWGIIXQCNTMJ-ZTFGCOKTSA-N	1	0	354.454	1.411	20	30		FDEDRO
CC(C)N1C[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)CC1=O	ZINC001082541197	908564686	/nfs/dbraw/zinc/56/46/86/908564686.db2.gz	MXGHBEHXQROOBA-AYOQOUSVSA-N	1	0	368.481	1.752	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082541484	908565820	/nfs/dbraw/zinc/56/58/20/908565820.db2.gz	AMPMOHKCDUYUIO-ISTRZQFTSA-N	1	0	358.417	1.112	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cnn3ccncc23)C[C@H]1C	ZINC001082562626	908643303	/nfs/dbraw/zinc/64/33/03/908643303.db2.gz	YVVUJYXOAWYYHI-ZWNOBZJWSA-N	1	0	364.247	1.688	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnc3n[nH]nc3c2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082563048	908649073	/nfs/dbraw/zinc/64/90/73/908649073.db2.gz	AEAIQDYTDHVSRC-SJKOYZFVSA-N	1	0	361.409	1.475	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082576620	908747601	/nfs/dbraw/zinc/74/76/01/908747601.db2.gz	PHNIAIKTLOSOBF-ISTRZQFTSA-N	1	0	358.417	1.160	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1	ZINC001082578840	908764977	/nfs/dbraw/zinc/76/49/77/908764977.db2.gz	PDTRFGHTTYLNMA-MLGOLLRUSA-N	1	0	369.425	1.576	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(Cc3noc(C(C)(C)C)n3)CC2)CC1	ZINC000265617544	908882265	/nfs/dbraw/zinc/88/22/65/908882265.db2.gz	QAZVZWPKVZRNDP-UHFFFAOYSA-N	1	0	373.501	1.357	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082599420	908956972	/nfs/dbraw/zinc/95/69/72/908956972.db2.gz	PLNRHFBCQDPCJV-ZTFGCOKTSA-N	1	0	354.454	1.363	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)cc1	ZINC001082600447	908962911	/nfs/dbraw/zinc/96/29/11/908962911.db2.gz	XHBRGMFTGHLYBS-XOKHGSTOSA-N	1	0	371.437	1.107	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(CN(C)C)on2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082609108	908989310	/nfs/dbraw/zinc/98/93/10/908989310.db2.gz	RGLJXDQLBRGFAQ-AUUYWEPGSA-N	1	0	367.453	1.858	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cnn(CCF)c2)C[C@H]1C	ZINC001082609889	908996559	/nfs/dbraw/zinc/99/65/59/908996559.db2.gz	MZYLYAMZRNIDTA-ZWNOBZJWSA-N	1	0	359.243	1.811	20	30		FDEDRO
COc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(C#N)ccc3F)C2)nn1C	ZINC001082634110	909203410	/nfs/dbraw/zinc/20/34/10/909203410.db2.gz	IFLNGQUZMSEEEU-SJKOYZFVSA-N	1	0	371.416	1.690	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccn4ccccc34)C[C@H]2C)C1=O	ZINC001082636793	909238131	/nfs/dbraw/zinc/23/81/31/909238131.db2.gz	SEWRJNIVLVFOJR-BPQIPLTHSA-N	1	0	366.465	1.776	20	30		FDEDRO
Cc1cc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)n(C)n1	ZINC001082641529	909273926	/nfs/dbraw/zinc/27/39/26/909273926.db2.gz	UZMCHUNAFHLIOK-AUUYWEPGSA-N	1	0	351.454	1.779	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3c(C)cncc3C)C[C@H]2C)C1=O	ZINC001082642107	909278995	/nfs/dbraw/zinc/27/89/95/909278995.db2.gz	JGRJAVGEMFHTOL-IXDOHACOSA-N	1	0	356.470	1.535	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)CCc2cncnc2)C[C@H]1C	ZINC001082644111	909289181	/nfs/dbraw/zinc/28/91/81/909289181.db2.gz	NENBTFXHFVLTTE-BXUZGUMPSA-N	1	0	353.264	1.754	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cncc(CC)c3)C[C@H]2C)C1=O	ZINC001082645766	909306848	/nfs/dbraw/zinc/30/68/48/909306848.db2.gz	WPJWAIOMNVUTQU-FHLIZLRMSA-N	1	0	356.470	1.481	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082662540	909390568	/nfs/dbraw/zinc/39/05/68/909390568.db2.gz	IIUHRRZNSFVKBG-BDJLRTHQSA-N	1	0	370.384	1.640	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCNC(=O)CC2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082665276	909451620	/nfs/dbraw/zinc/45/16/20/909451620.db2.gz	FZXYEFZADBVOFP-XJKCOSOUSA-N	1	0	360.483	1.473	20	30		FDEDRO
CO[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1)c1cnn(C)c1	ZINC001082666909	909464459	/nfs/dbraw/zinc/46/44/59/909464459.db2.gz	RSMLNOLEZKZYGS-NIKGAXFTSA-N	1	0	367.453	1.616	20	30		FDEDRO
CO[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1)c1cnn(C)c1	ZINC001082667046	909466439	/nfs/dbraw/zinc/46/64/39/909466439.db2.gz	XPYLFIVPRQOBEC-ZMYBRWDISA-N	1	0	367.453	1.616	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cccc4[nH]ncc43)C[C@H]2C)C1=O	ZINC001082676898	909545203	/nfs/dbraw/zinc/54/52/03/909545203.db2.gz	BCBRCSFGCKHUCC-FSPWUOQZSA-N	1	0	367.453	1.400	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082692712	909631718	/nfs/dbraw/zinc/63/17/18/909631718.db2.gz	LSKOODNTLCDCQJ-SRCQZFHVSA-N	1	0	358.417	1.112	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnn(CC)n2)CC1	ZINC000997781540	909687422	/nfs/dbraw/zinc/68/74/22/909687422.db2.gz	KXTKBCSSXCKFRU-MSOLQXFVSA-N	1	0	361.490	1.607	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cc(OC)no2)CC1	ZINC000997782493	909689853	/nfs/dbraw/zinc/68/98/53/909689853.db2.gz	UZGVCPBXNXKKEL-SJORKVTESA-N	1	0	363.458	1.993	20	30		FDEDRO
C[C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082708292	909743428	/nfs/dbraw/zinc/74/34/28/909743428.db2.gz	IBUPEIZOFZLUMT-FZKQIMNGSA-N	1	0	371.416	1.446	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccc(F)c(C)c3)C[C@H]2C)C1=O	ZINC001082715862	909796975	/nfs/dbraw/zinc/79/69/75/909796975.db2.gz	LQBCEIFKSORXPC-ZTFGCOKTSA-N	1	0	359.445	1.971	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082722115	909829429	/nfs/dbraw/zinc/82/94/29/909829429.db2.gz	YHBMGOYVNBPAFT-IAQYHMDHSA-N	1	0	357.389	1.387	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H]3CCN(C(C)(C)C)C3=O)C2)c1	ZINC001082730244	909864971	/nfs/dbraw/zinc/86/49/71/909864971.db2.gz	ILGXWUHJSKFTAD-FHLIZLRMSA-N	1	0	368.481	1.512	20	30		FDEDRO
Cc1ccn(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)n1	ZINC001082749129	909903243	/nfs/dbraw/zinc/90/32/43/909903243.db2.gz	DTVYIDQDZBDVGI-FZKQIMNGSA-N	1	0	355.417	1.839	20	30		FDEDRO
Cc1ccn(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)n1	ZINC001082749133	909904511	/nfs/dbraw/zinc/90/45/11/909904511.db2.gz	FFUOUKXXGALLTI-DNVCBOLYSA-N	1	0	367.453	1.731	20	30		FDEDRO
COc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)n1	ZINC001082785667	910136036	/nfs/dbraw/zinc/13/60/36/910136036.db2.gz	WSWNMQZSTSYIDO-SJKOYZFVSA-N	1	0	369.400	1.746	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)CCC3CCOCC3)C[C@H]2C)C1=O	ZINC001082781230	910137737	/nfs/dbraw/zinc/13/77/37/910137737.db2.gz	LKWHVCPWUZDPHY-BPQIPLTHSA-N	1	0	363.502	1.417	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[C@@H]3CCC(=O)N3)C[C@H]2C)cc1C#N	ZINC001082802951	910227584	/nfs/dbraw/zinc/22/75/84/910227584.db2.gz	ZSOCUURUNVXFON-XOKHGSTOSA-N	1	0	370.453	1.172	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccc(OC)c(C)c3)C[C@H]2C)C1=O	ZINC001082807009	910258857	/nfs/dbraw/zinc/25/88/57/910258857.db2.gz	CEZFVEZCBVQESQ-BPQIPLTHSA-N	1	0	371.481	1.841	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC2CCN(C(=O)[C@@H]3CCO[C@H]3C=C)CC2)C1=O	ZINC000998094178	910332901	/nfs/dbraw/zinc/33/29/01/910332901.db2.gz	HOJVQWYOODJQLC-KURKYZTESA-N	1	0	361.486	1.193	20	30		FDEDRO
CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)s3)C2)nn1	ZINC001082828592	910345382	/nfs/dbraw/zinc/34/53/82/910345382.db2.gz	VCAARDKUYCJVAF-IUODEOHRSA-N	1	0	358.471	1.872	20	30		FDEDRO
CCn1cc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)cn1	ZINC001082853538	910474816	/nfs/dbraw/zinc/47/48/16/910474816.db2.gz	FRVZNXBFIINXKV-DNVCBOLYSA-N	1	0	351.454	1.954	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCCN(C)C2=O)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082857099	910493756	/nfs/dbraw/zinc/49/37/56/910493756.db2.gz	RZFJYDNCKRNSJR-AYOQOUSVSA-N	1	0	368.481	1.753	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccnc(OC)c3)C2)cn1	ZINC001082870199	910516956	/nfs/dbraw/zinc/51/69/56/910516956.db2.gz	HLNPUQHHEBENCP-RDTXWAMCSA-N	1	0	350.422	1.717	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc4n(n3)CCCC4)C2)cn1	ZINC001082870964	910522074	/nfs/dbraw/zinc/52/20/74/910522074.db2.gz	UGDKVRXZRQBTSY-FOIQADDNSA-N	1	0	363.465	1.846	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(OC)no2)C1	ZINC001082884791	910663940	/nfs/dbraw/zinc/66/39/40/910663940.db2.gz	GGTSZOZPFPOGFC-RDTXWAMCSA-N	1	0	353.422	1.844	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCCN(C)C2=O)C1	ZINC001082885380	910667462	/nfs/dbraw/zinc/66/74/62/910667462.db2.gz	WPMIHZDUPPLDBA-ATZDWAIDSA-N	1	0	353.466	1.268	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)Cc3ccccc3)C[C@H]2OC)CCC1	ZINC001212393802	910677286	/nfs/dbraw/zinc/67/72/86/910677286.db2.gz	ZFIZYZORAQDJCT-XUVXKRRUSA-N	1	0	370.493	1.599	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@H]2OC)CCOCC1	ZINC001212395835	910749494	/nfs/dbraw/zinc/74/94/94/910749494.db2.gz	PQOIXKLIDSOOGI-KZNAEPCWSA-N	1	0	364.486	1.049	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3sc(C)nc3C)C[C@H]2C)C1=O	ZINC001082908148	910816536	/nfs/dbraw/zinc/81/65/36/910816536.db2.gz	TWQRJBADJSPUQS-KCPJHIHWSA-N	1	0	362.499	1.597	20	30		FDEDRO
Cc1cccn2cc(CC(=O)N[C@H]3C[C@H]4CC[C@@H]3N4C(=O)[C@@H](C)C#N)nc12	ZINC000998389237	910959154	/nfs/dbraw/zinc/95/91/54/910959154.db2.gz	APRUMNQJYSDSDL-ORQFMDKSSA-N	1	0	365.437	1.593	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H]3CCCNC3=O)C2)cc1	ZINC001082949383	911063234	/nfs/dbraw/zinc/06/32/34/911063234.db2.gz	LKFNTKLBTAWDQF-ATZDWAIDSA-N	1	0	371.481	1.509	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCc2ccsc2)C[C@H]1O	ZINC001077821773	911140316	/nfs/dbraw/zinc/14/03/16/911140316.db2.gz	FXYKLFHAADZZTI-MLHJIOFPSA-N	1	0	364.511	1.823	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3[nH]cnc3C)C[C@H]2C)cc1C#N	ZINC001082963180	911163706	/nfs/dbraw/zinc/16/37/06/911163706.db2.gz	XTDNTWLWLUERGR-MLGOLLRUSA-N	1	0	353.426	1.849	20	30		FDEDRO
CCn1nc(C)c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)s3)C2)n1	ZINC001082961590	911180633	/nfs/dbraw/zinc/18/06/33/911180633.db2.gz	DFLOAYKQROPPLG-IAQYHMDHSA-N	1	0	358.471	1.790	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C3)cc1	ZINC000998629618	911331059	/nfs/dbraw/zinc/33/10/59/911331059.db2.gz	HKLJDHQCBYSWFM-RNQOJCNYSA-N	1	0	365.477	1.871	20	30		FDEDRO
C=C(Br)C[NH2+]C1CC(N(C)C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1	ZINC000998786183	911665732	/nfs/dbraw/zinc/66/57/32/911665732.db2.gz	SIUGICDRMGPUPT-SARFZWSYSA-N	1	0	358.280	1.389	20	30		FDEDRO
Cc1ncsc1CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C#N)c[nH]3)[C@H]2C1	ZINC001083040663	911762859	/nfs/dbraw/zinc/76/28/59/911762859.db2.gz	XKAYYFJMLQSMDX-JKSUJKDBSA-N	1	0	371.466	1.419	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C(C)C)[NH+](C)C)nc1	ZINC000998948340	911895525	/nfs/dbraw/zinc/89/55/25/911895525.db2.gz	LSMANRFVLUSLLA-BVBHFADKSA-N	1	0	368.481	1.511	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H]3COc4ccccc4O3)[C@H]2C1	ZINC001083095163	911987813	/nfs/dbraw/zinc/98/78/13/911987813.db2.gz	RHRJJKCWWPOSLY-TXPKVOOTSA-N	1	0	356.422	1.151	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2scnc2C)C1=O	ZINC001085140731	921713287	/nfs/dbraw/zinc/71/32/87/921713287.db2.gz	SDCUKHHBGCTPCD-RBSFLKMASA-N	1	0	362.499	1.869	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3[nH]nc4c3cccc4OC)[C@H]2C1	ZINC001083095671	911990590	/nfs/dbraw/zinc/99/05/90/911990590.db2.gz	SAIIXORSGUMRMZ-GOEBONIOSA-N	1	0	356.426	1.673	20	30		FDEDRO
C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1	ZINC000999159780	912139789	/nfs/dbraw/zinc/13/97/89/912139789.db2.gz	FYXQXOJSIZVJLF-BACDZXNISA-N	1	0	371.909	1.198	20	30		FDEDRO
CN1CC[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)C1=O	ZINC001084589775	915513158	/nfs/dbraw/zinc/51/31/58/915513158.db2.gz	OUECGVNAXZPYCY-FGTMMUONSA-N	1	0	352.438	1.069	20	30		FDEDRO
Cc1nc[nH]c(=O)c1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001084595974	915572126	/nfs/dbraw/zinc/57/21/26/915572126.db2.gz	OOKXUAUQZNUPII-IAGOWNOFSA-N	1	0	363.421	1.709	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3CC[N@@H+](C[C@@H](O)c4ccccc4)C[C@H]32)c1	ZINC001084647830	915826181	/nfs/dbraw/zinc/82/61/81/915826181.db2.gz	HDAZOHQBALLAIB-HMXCVIKNSA-N	1	0	361.445	1.943	20	30		FDEDRO
Cn1c(C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)cccc1=O	ZINC001084649563	915836944	/nfs/dbraw/zinc/83/69/44/915836944.db2.gz	VPEALFNBLUYMHR-IEBWSBKVSA-N	1	0	362.433	1.603	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(C(=O)OCC(C)C)CC2)CC1	ZINC000730125101	916140488	/nfs/dbraw/zinc/14/04/88/916140488.db2.gz	NDUPNOFKQVMESL-UHFFFAOYSA-N	1	0	352.479	1.757	20	30		FDEDRO
C#CCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1cccc(C)c1	ZINC000730141899	916184822	/nfs/dbraw/zinc/18/48/22/916184822.db2.gz	LRHHDWGZLNWQDH-INIZCTEOSA-N	1	0	372.494	1.628	20	30		FDEDRO
C#CCCCCCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1	ZINC001065210412	917339887	/nfs/dbraw/zinc/33/98/87/917339887.db2.gz	DCRAYCKLQWIBTI-KZNAEPCWSA-N	1	0	363.502	1.254	20	30		FDEDRO
Cn1cc(CCC(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)cn1	ZINC001084849764	917690890	/nfs/dbraw/zinc/69/08/90/917690890.db2.gz	SKGSFOWRAKNEBB-WOJBJXKFSA-N	1	0	363.465	1.957	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)C4=COCCO4)C[C@@H]32)s1	ZINC001084884150	917974534	/nfs/dbraw/zinc/97/45/34/917974534.db2.gz	FIQWOGOFNGZLTE-CJNGLKHVSA-N	1	0	359.451	1.931	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)C4=COCCC4)C[C@@H]32)C1=O	ZINC001084903755	918147415	/nfs/dbraw/zinc/14/74/15/918147415.db2.gz	PAUBXHLKVCRCNQ-SZMVWBNQSA-N	1	0	359.470	1.390	20	30		FDEDRO
Cc1noc(CCC[N@@H+]2CC[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]32)n1	ZINC001084923396	918331719	/nfs/dbraw/zinc/33/17/19/918331719.db2.gz	OJYAOGWEGOWATD-PBHICJAKSA-N	1	0	368.441	1.747	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ccnn4CC)C[C@@H]32)C1=O	ZINC001084927722	918414513	/nfs/dbraw/zinc/41/45/13/918414513.db2.gz	PAYDMFDOPUILEL-BQFCYCMXSA-N	1	0	371.485	1.226	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ccncc4C)C[C@@H]32)C1=O	ZINC001084936555	918507885	/nfs/dbraw/zinc/50/78/85/918507885.db2.gz	SAYDXCCJDVTLSZ-WDSOQIARSA-N	1	0	368.481	1.713	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ccc(C)nn4)C[C@@H]32)C1=O	ZINC001084938147	918583647	/nfs/dbraw/zinc/58/36/47/918583647.db2.gz	JEWBZYQGGTUMDY-SZMVWBNQSA-N	1	0	369.469	1.108	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)CO[C@@H]3CCOC3)C[C@@H]21	ZINC001084938922	918597481	/nfs/dbraw/zinc/59/74/81/918597481.db2.gz	LAZGRLDEHDZDRS-AHRSYUTCSA-N	1	0	369.465	1.787	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCn3cccn3)[C@H]2C1	ZINC001084943100	918609403	/nfs/dbraw/zinc/60/94/03/918609403.db2.gz	HGGHUQIGIMCWSE-YRXWBPOGSA-N	1	0	358.486	1.787	20	30		FDEDRO
C=C(Cl)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCN(C(N)=O)C2)C1	ZINC001098928918	918648097	/nfs/dbraw/zinc/64/80/97/918648097.db2.gz	ADGRSSGASIUCCI-ZQIUZPCESA-N	1	0	354.882	1.500	20	30		FDEDRO
COc1cc(C(C)=NNC(=S)NCCC[NH+](C)C)cc(OC)c1OC	ZINC000731928021	918845823	/nfs/dbraw/zinc/84/58/23/918845823.db2.gz	ATNYUWDLPJJNSU-UHFFFAOYSA-N	1	0	368.503	1.852	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3c3ncccn3)C[C@@H]21	ZINC001084961916	918870764	/nfs/dbraw/zinc/87/07/64/918870764.db2.gz	GIZHOLTXOWMWJM-KURKYZTESA-N	1	0	353.470	1.392	20	30		FDEDRO
CN(CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000732214804	919218099	/nfs/dbraw/zinc/21/80/99/919218099.db2.gz	XTHBYRNDNIZBRD-ZBFHGGJFSA-N	1	0	365.437	1.680	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cc(F)c[nH]4)C[C@@H]32)C1=O	ZINC001084991503	919298125	/nfs/dbraw/zinc/29/81/25/919298125.db2.gz	JVTXTYYKNBSWDI-XKQJLSEDSA-N	1	0	360.433	1.477	20	30		FDEDRO
N#CCOc1ccc(CC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1	ZINC000732308243	919352695	/nfs/dbraw/zinc/35/26/95/919352695.db2.gz	VRZVQETUINTICK-IBGZPJMESA-N	1	0	357.454	1.891	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4cncn4)nc3)C[C@@H]21	ZINC001085002634	919492172	/nfs/dbraw/zinc/49/21/72/919492172.db2.gz	XKTFLLZAGXKTFB-WBVHZDCISA-N	1	0	352.442	1.775	20	30		FDEDRO
Cn1c(C(=O)N2CC[C@H]3CC[N@H+](Cc4ccc(C#N)s4)[C@H]3C2)c[nH]c1=O	ZINC001085006381	919570506	/nfs/dbraw/zinc/57/05/06/919570506.db2.gz	SBYWPOKGEHCUGI-WBMJQRKESA-N	1	0	371.466	1.795	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[N@H+](CCN3C(=O)CNC3=O)[C@H]2C1	ZINC001085024375	919794279	/nfs/dbraw/zinc/79/42/79/919794279.db2.gz	PTSFMSFMFAXNSM-VCBZYWHSSA-N	1	0	362.474	1.063	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3CC[N@H+](CCN4CCCC4=O)[C@H]3C2)c1	ZINC001085027933	919815161	/nfs/dbraw/zinc/81/51/61/919815161.db2.gz	AOFSOJAJHNORLW-MJGOQNOKSA-N	1	0	366.465	1.222	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@H]32)cc1	ZINC001085034689	919913031	/nfs/dbraw/zinc/91/30/31/919913031.db2.gz	IPMKAESUKLNFCA-BDXSIMOUSA-N	1	0	352.438	1.102	20	30		FDEDRO
C[NH+](C)CCOc1cccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1	ZINC000732696280	919985781	/nfs/dbraw/zinc/98/57/81/919985781.db2.gz	DIGGHHFMDWOBSQ-KRWDZBQOSA-N	1	0	357.458	1.831	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3c(=O)[nH]c4ccccc43)C[C@@H]21	ZINC001085043432	920020623	/nfs/dbraw/zinc/02/06/23/920020623.db2.gz	XFYOAHXFPJYIOE-QAPCUYQASA-N	1	0	352.438	1.688	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3nnc4ccccc4c3O)C[C@@H]21	ZINC001085047260	920041562	/nfs/dbraw/zinc/04/15/62/920041562.db2.gz	GBAPOTLOZMKYIM-PBHICJAKSA-N	1	0	350.422	1.895	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cn(C)nc4C)[C@H]3C2)nn1	ZINC001085051703	920099160	/nfs/dbraw/zinc/09/91/60/920099160.db2.gz	BOSRTGOZTGCGQD-QAPCUYQASA-N	1	0	369.473	1.243	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cnn4cccc(OC)c34)C[C@@H]21	ZINC001085057858	920221742	/nfs/dbraw/zinc/22/17/42/920221742.db2.gz	AJAZYPYOBNEJDY-WBVHZDCISA-N	1	0	352.438	1.903	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N(C)[C@H]2CCN(CC(F)(F)F)C2=O)CC1	ZINC000732891108	920263125	/nfs/dbraw/zinc/26/31/25/920263125.db2.gz	XEZNCEGQLZUJCL-ZDUSSCGKSA-N	1	0	362.396	1.441	20	30		FDEDRO
CCNS(=O)(=O)CC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000733327739	920983214	/nfs/dbraw/zinc/98/32/14/920983214.db2.gz	FUCQABFQTBVMLU-UHFFFAOYSA-N	1	0	361.471	1.493	20	30		FDEDRO
COc1cc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)cc2c1OCCO2	ZINC000733334666	920989319	/nfs/dbraw/zinc/98/93/19/920989319.db2.gz	OVKYLULZMPTDQN-FBMGVBCBSA-N	1	0	359.382	1.082	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2nccnc2N)c(F)c1	ZINC001085155050	921847194	/nfs/dbraw/zinc/84/71/94/921847194.db2.gz	ZLVGAXZELPUSJH-HZPDHXFCSA-N	1	0	368.416	1.900	20	30		FDEDRO
CC(C)(C)N1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C#N)c[nH]2)C1=O	ZINC001085162727	921906412	/nfs/dbraw/zinc/90/64/12/921906412.db2.gz	YYXOXXAJBLWKRX-OAGGEKHMSA-N	1	0	371.485	1.916	20	30		FDEDRO
CC(C)(C)N1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C#N)c[nH]2)C1=O	ZINC001085162726	921906602	/nfs/dbraw/zinc/90/66/02/921906602.db2.gz	YYXOXXAJBLWKRX-BZUAXINKSA-N	1	0	371.485	1.916	20	30		FDEDRO
COc1ncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)c(C)n1	ZINC001085173567	921968600	/nfs/dbraw/zinc/96/86/00/921968600.db2.gz	CCBLWDOFNADBSO-HZPDHXFCSA-N	1	0	368.441	1.824	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCc3ncnn32)c[nH]1	ZINC001085176354	922006067	/nfs/dbraw/zinc/00/60/67/922006067.db2.gz	AWUZLUMWQHYZNV-BZUAXINKSA-N	1	0	353.430	1.296	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(OC)no2)C1=O	ZINC001085176377	922006722	/nfs/dbraw/zinc/00/67/22/922006722.db2.gz	BXOQZVRYTIAGID-MGPQQGTHSA-N	1	0	362.430	1.101	20	30		FDEDRO
Cn1nncc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001085187665	922077192	/nfs/dbraw/zinc/07/71/92/922077192.db2.gz	QPALFPVRJWVVIF-HZPDHXFCSA-N	1	0	356.405	1.657	20	30		FDEDRO
Cn1cnc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)c(F)c2)n1	ZINC001085190777	922120852	/nfs/dbraw/zinc/12/08/52/922120852.db2.gz	SKXZJCNIPDAOET-HZPDHXFCSA-N	1	0	356.405	1.657	20	30		FDEDRO
Cc1nc(N2C[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@@H]3C2)ccc1C#N	ZINC001066076600	922547239	/nfs/dbraw/zinc/54/72/39/922547239.db2.gz	QTNGURHLBNLEMX-NRSFXHEJSA-N	1	0	353.470	1.497	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C[NH+](CC)CC)CC1	ZINC001066194801	922582367	/nfs/dbraw/zinc/58/23/67/922582367.db2.gz	WXQDNJRRYWCBLW-KSZLIROESA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)CC1	ZINC001066216687	922609120	/nfs/dbraw/zinc/60/91/20/922609120.db2.gz	CTZLNPOYBGDWJS-KSZLIROESA-N	1	0	365.518	1.805	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)CCC[NH+](C)C)CC1	ZINC001066217502	922610537	/nfs/dbraw/zinc/61/05/37/922610537.db2.gz	NECZBKIIJUIANW-KSZLIROESA-N	1	0	365.518	1.807	20	30		FDEDRO
C#CCOCCC(=O)N1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1	ZINC001066218493	922616239	/nfs/dbraw/zinc/61/62/39/922616239.db2.gz	HKAKNUDUZAPEPZ-OKZBNKHCSA-N	1	0	363.502	1.254	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1nnn(C(C)(C)C)n1	ZINC001085208926	922760801	/nfs/dbraw/zinc/76/08/01/922760801.db2.gz	OXOODWPCTUDAJQ-CHWSQXEVSA-N	1	0	354.886	1.740	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cn2nccn2)ccc1F	ZINC001085212207	922795158	/nfs/dbraw/zinc/79/51/58/922795158.db2.gz	NOJIJUWUSHCTIG-IAGOWNOFSA-N	1	0	356.405	1.506	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(C(N)=O)nc1	ZINC001085244275	923098527	/nfs/dbraw/zinc/09/85/27/923098527.db2.gz	VDNZRDUQFSOBBC-ZIAGYGMSSA-N	1	0	350.850	1.493	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@@H+](CCO)C[C@@H](CC)OC)CC1	ZINC001098368275	923276136	/nfs/dbraw/zinc/27/61/36/923276136.db2.gz	KULXAKDHRFKMBD-QRVBRYPASA-N	1	0	368.518	1.678	20	30		FDEDRO
C=CC[C@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccncc1	ZINC000734681072	923578651	/nfs/dbraw/zinc/57/86/51/923578651.db2.gz	SUTFUNNNFGJAEN-SFHVURJKSA-N	1	0	371.485	1.648	20	30		FDEDRO
C=CC[C@H](NC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccncc1	ZINC000734667248	923603097	/nfs/dbraw/zinc/60/30/97/923603097.db2.gz	WIBYFMQZEGZMOL-ZWKOTPCHSA-N	1	0	373.501	1.941	20	30		FDEDRO
CN1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)NC1=O	ZINC001085297798	923634465	/nfs/dbraw/zinc/63/44/65/923634465.db2.gz	SLPJDCKCGZTAAP-ZACQAIPSSA-N	1	0	355.442	1.099	20	30		FDEDRO
CN1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)C1=O	ZINC001085302521	923680609	/nfs/dbraw/zinc/68/06/09/923680609.db2.gz	SRRHSGYJSSOQSB-RCCFBDPRSA-N	1	0	354.454	1.554	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccnc(OC)n2)c1	ZINC001085325711	923915472	/nfs/dbraw/zinc/91/54/72/923915472.db2.gz	BCJXUUROPLJBIO-QZTJIDSGSA-N	1	0	365.437	1.692	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCNC2=O)cc1	ZINC001085356263	924158226	/nfs/dbraw/zinc/15/82/26/924158226.db2.gz	NLKXRJLISIVMBZ-KZNAEPCWSA-N	1	0	355.438	1.218	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(OC)nc2)nn1	ZINC001085356814	924180227	/nfs/dbraw/zinc/18/02/27/924180227.db2.gz	PYUWYSDVFLVCJE-HZPDHXFCSA-N	1	0	370.457	1.699	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H](C)c2nncn2C)cn1	ZINC001085399026	924451251	/nfs/dbraw/zinc/45/12/51/924451251.db2.gz	MOEJWGDAGNVZGA-IAOVAPTHSA-N	1	0	352.442	1.583	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3CN(c4ccnc(C#N)n4)C[C@H]32)CC[N@@H+]1C	ZINC001066252463	924490122	/nfs/dbraw/zinc/49/01/22/924490122.db2.gz	OVWORZUREOJPAI-MWDXBVQZSA-N	1	0	368.485	1.506	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H]3CCCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@@H]3C2)n1	ZINC001066253380	924526658	/nfs/dbraw/zinc/52/66/58/924526658.db2.gz	XFTRHWOHLWDHOO-CYGHRXIMSA-N	1	0	368.485	1.424	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cccn2CC)C1=O	ZINC001085424472	924596979	/nfs/dbraw/zinc/59/69/79/924596979.db2.gz	QMIOKSRYTGQHES-ZACQAIPSSA-N	1	0	358.486	1.926	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NCc2cc(C)on2)CC1	ZINC001085432513	924678505	/nfs/dbraw/zinc/67/85/05/924678505.db2.gz	BMTLAZMFHDQVHW-RTBURBONSA-N	1	0	358.486	1.845	20	30		FDEDRO
C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CCCC[C@H]2[C@H](C)CC)c1=O	ZINC000738058873	925096462	/nfs/dbraw/zinc/09/64/62/925096462.db2.gz	WKWSPCPKQCMPOU-CVEARBPZSA-N	1	0	362.474	1.402	20	30		FDEDRO
C=CCN1C[C@@H](NC(=O)[C@@H](CC)c2c(C)noc2C)[C@@H](n2ccnn2)C1	ZINC001129321617	925097180	/nfs/dbraw/zinc/09/71/80/925097180.db2.gz	NAFGXCABSPJUGF-XHSDSOJGSA-N	1	0	358.446	1.604	20	30		FDEDRO
C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CCCC[C@@H]2[C@@H](C)CC)c1=O	ZINC000738058879	925097599	/nfs/dbraw/zinc/09/75/99/925097599.db2.gz	WKWSPCPKQCMPOU-JKSUJKDBSA-N	1	0	362.474	1.402	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N1CCN([C@H]2CCC[N@H+](C)C2)CC1	ZINC000739915918	925323538	/nfs/dbraw/zinc/32/35/38/925323538.db2.gz	UIHWHPMBMFACJR-OALUTQOASA-N	1	0	356.470	1.484	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCc1ccnn1C	ZINC001085864982	925345002	/nfs/dbraw/zinc/34/50/02/925345002.db2.gz	PMQRPTXFKZBIQS-FHWLQOOXSA-N	1	0	360.502	1.867	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccc(N3CCOCC3)c(F)c2)CC1	ZINC000740738552	925422012	/nfs/dbraw/zinc/42/20/12/925422012.db2.gz	GWXBOYQLVZLVRL-UHFFFAOYSA-N	1	0	359.445	1.880	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1	ZINC000740738367	925422152	/nfs/dbraw/zinc/42/21/52/925422152.db2.gz	BOLAHTWHSZSJGC-UHFFFAOYSA-N	1	0	361.398	1.830	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CCCC[NH+](C)C)CC1	ZINC001066353967	925628817	/nfs/dbraw/zinc/62/88/17/925628817.db2.gz	MEJSKXBSFPCBPE-KURKYZTESA-N	1	0	365.518	1.807	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)CCCn2ccnc2C)[C@@H](n2ccnn2)C1	ZINC001129326221	925899075	/nfs/dbraw/zinc/89/90/75/925899075.db2.gz	CQQKGASKQJMEHZ-MSOLQXFVSA-N	1	0	371.489	1.571	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CCCO[C@H]3C=C)C2)C1=O	ZINC001086089529	925937664	/nfs/dbraw/zinc/93/76/64/925937664.db2.gz	DAJAVOUOQRKRGI-WKULXVSPSA-N	1	0	361.486	1.239	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)CC1	ZINC000742180481	925971537	/nfs/dbraw/zinc/97/15/37/925971537.db2.gz	XCDZJYRQCOBJLW-UHFFFAOYSA-N	1	0	362.495	1.627	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCC[N@H+]2CCC[C@@H]2C)cc1	ZINC000742238281	925981595	/nfs/dbraw/zinc/98/15/95/925981595.db2.gz	DMEIHARCJZVMJW-AWEZNQCLSA-N	1	0	351.472	1.365	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CC1SC(=N)NC1=O	ZINC000742592441	926095874	/nfs/dbraw/zinc/09/58/74/926095874.db2.gz	BZAAVFDWHFTMTN-CQSZACIVSA-N	1	0	359.455	1.005	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2c(C)n[nH]c2C)[C@@H](n2ccnn2)C1	ZINC001129326797	926131585	/nfs/dbraw/zinc/13/15/85/926131585.db2.gz	LXMKLKWCSHLWNW-MAZHCROVSA-N	1	0	357.462	1.628	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(C#N)c[nH]1	ZINC001006287073	926214959	/nfs/dbraw/zinc/21/49/59/926214959.db2.gz	OPPFRQNKBJIVFV-MMTVNHQJSA-N	1	0	355.442	1.232	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nccn2C(F)F)C1	ZINC001086201472	926283864	/nfs/dbraw/zinc/28/38/64/926283864.db2.gz	CCVTVYSRHXFEMU-RQJABVFESA-N	1	0	354.401	1.854	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ncnn2CC(C)C)C1	ZINC001086201798	926284257	/nfs/dbraw/zinc/28/42/57/926284257.db2.gz	RQKUQBMRDNVYAK-TWMKSMIVSA-N	1	0	361.490	1.510	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C1	ZINC001086202411	926288017	/nfs/dbraw/zinc/28/80/17/926288017.db2.gz	YAVSAFKFKUHSJE-ILMPWQCYSA-N	1	0	361.486	1.215	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ncnn2CCF)C1	ZINC001086223361	926353465	/nfs/dbraw/zinc/35/34/65/926353465.db2.gz	MPSFSYNWXALMSI-IVSAIRAKSA-N	1	0	365.453	1.213	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)ccc1F	ZINC000743949300	926524409	/nfs/dbraw/zinc/52/44/09/926524409.db2.gz	MYMQOBWAFUGJAS-MRXNPFEDSA-N	1	0	374.416	1.395	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)s3)C2)C1	ZINC001086369193	926862516	/nfs/dbraw/zinc/86/25/16/926862516.db2.gz	VQGPJWACMOGGTO-BRXULGCHSA-N	1	0	360.483	1.519	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2c(C)nnn2CC)C1	ZINC001086369181	926863205	/nfs/dbraw/zinc/86/32/05/926863205.db2.gz	UWQFCVGLMFFOSD-KONPQCLYSA-N	1	0	361.490	1.572	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)COC(=O)CNc2ccc(C#N)cc2)CC1	ZINC000744839262	926898804	/nfs/dbraw/zinc/89/88/04/926898804.db2.gz	FOPAINMLYYUZFM-UHFFFAOYSA-N	1	0	358.442	1.502	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc(C#N)c3)C2)O1	ZINC001086400765	927058132	/nfs/dbraw/zinc/05/81/32/927058132.db2.gz	WSGZNKFAJUTSOW-UTRMSSBJSA-N	1	0	356.470	1.262	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@]1(C)C[N@H+](CCCCOC)CCO1	ZINC001108271385	927078812	/nfs/dbraw/zinc/07/88/12/927078812.db2.gz	VRPRCFZZJYZWLH-BJLQDIEVSA-N	1	0	368.518	1.991	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1	ZINC001066547326	927496302	/nfs/dbraw/zinc/49/63/02/927496302.db2.gz	BLEQUROHPIUZHH-ZACQAIPSSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N2CCC[C@H](C)C2)C1	ZINC001086481154	927518238	/nfs/dbraw/zinc/51/82/38/927518238.db2.gz	QXKJAZQKZFGLSI-TXTZMMAHSA-N	1	0	363.502	1.320	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CCNC(=O)C2N=CC=CC2=O)C1	ZINC000746180305	927649867	/nfs/dbraw/zinc/64/98/67/927649867.db2.gz	DXAHNBMNAMAJBL-IAYOCZPPSA-N	1	0	374.485	1.767	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@H]3CCO[C@H]3C(=C)C)C2)C1=O	ZINC001086503955	927711166	/nfs/dbraw/zinc/71/11/66/927711166.db2.gz	VHCYHVDFYSQAHX-TXTZMMAHSA-N	1	0	361.486	1.239	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1	ZINC000746407142	927952043	/nfs/dbraw/zinc/95/20/43/927952043.db2.gz	VPXGJOOGNQLKJL-CVEARBPZSA-N	1	0	372.473	1.458	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1Cn1c(C)cc(C=Nn2c(=O)cn[nH]c2=S)c1C	ZINC000766473363	928072150	/nfs/dbraw/zinc/07/21/50/928072150.db2.gz	FHVSAPFXCTYCJI-HNNXBMFYSA-N	1	0	360.487	1.712	20	30		FDEDRO
C[C@@H]1C(NNc2ccc(-n3ccnc3)n[nH+]2)=CC(=O)N1C(=O)OC(C)(C)C	ZINC000766478420	928092335	/nfs/dbraw/zinc/09/23/35/928092335.db2.gz	QAQWORURTGFKMO-LLVKDONJSA-N	1	0	371.401	1.986	20	30		FDEDRO
C#CC(CC)(CC)[NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC001169160471	928325692	/nfs/dbraw/zinc/32/56/92/928325692.db2.gz	GJEFEEQSTMIRKU-OAHLLOKOSA-N	1	0	373.501	1.774	20	30		FDEDRO
C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CC1(C#N)CCC1	ZINC001169162195	928327699	/nfs/dbraw/zinc/32/76/99/928327699.db2.gz	JZNRBIOPPWHNJG-CQSZACIVSA-N	1	0	372.473	1.276	20	30		FDEDRO
C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@H](C#N)C1	ZINC001169204898	928357764	/nfs/dbraw/zinc/35/77/64/928357764.db2.gz	DFJJVMDFZZYCOU-LSDHHAIUSA-N	1	0	372.473	1.228	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2ncccn2)[C@@H](n2ccnn2)C1	ZINC001129332813	928689627	/nfs/dbraw/zinc/68/96/27/928689627.db2.gz	JENPEUFXPJALTN-BBWFWOEESA-N	1	0	369.473	1.397	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(CC)nn2C)[C@@H](n2ccnn2)C1	ZINC001129337546	928766876	/nfs/dbraw/zinc/76/68/76/928766876.db2.gz	MNLQEDCNGVYNRY-KYJSFNMBSA-N	1	0	371.489	1.584	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)Cc2ncc[nH]2)[C@@H](n2ccnn2)C1	ZINC001129342783	928870787	/nfs/dbraw/zinc/87/07/87/928870787.db2.gz	XGLOOPXCEXYJGY-CVEARBPZSA-N	1	0	357.462	1.332	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)CCN2CC[NH+](Cc3ccccc3)CC2)cn1	ZINC000804344792	929016765	/nfs/dbraw/zinc/01/67/65/929016765.db2.gz	FEGWDYRYFONDBC-UHFFFAOYSA-N	1	0	362.477	1.953	20	30		FDEDRO
N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cc1ccccc1	ZINC001108952068	929568208	/nfs/dbraw/zinc/56/82/08/929568208.db2.gz	MXVIVJVEABABRK-OWSLCNJRSA-N	1	0	359.495	1.568	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cncc(-n3ccnn3)c1)C2	ZINC001109561579	929778365	/nfs/dbraw/zinc/77/83/65/929778365.db2.gz	FZHJJQCILPUMDS-NJAFHUGGSA-N	1	0	368.441	1.200	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCOC	ZINC001109566386	929792566	/nfs/dbraw/zinc/79/25/66/929792566.db2.gz	AHZWHDZSMXDVEX-DFEOGRTESA-N	1	0	354.491	1.600	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C)C(=O)c1ccccc1)C2	ZINC001109666464	930054794	/nfs/dbraw/zinc/05/47/94/930054794.db2.gz	ZJNKGCMHXUDXEC-QYZOEREBSA-N	1	0	371.481	1.683	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2	ZINC001109724383	930227516	/nfs/dbraw/zinc/22/75/16/930227516.db2.gz	PUJXKHYWYRKIQC-NCOADZHNSA-N	1	0	362.518	1.131	20	30		FDEDRO
CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)O[C@H](C)C#CC[NH+](CC)CC	ZINC000770804708	930266148	/nfs/dbraw/zinc/26/61/48/930266148.db2.gz	DXTPQVKZPMGPAO-IAGOWNOFSA-N	1	0	372.531	1.858	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)CCc1nc2c(cnn2C)c(=O)[nH]1	ZINC000770807107	930267663	/nfs/dbraw/zinc/26/76/63/930267663.db2.gz	XMGWGMCEMIZVKD-ZDUSSCGKSA-N	1	0	359.430	1.278	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)C(C)(C)N1C(=O)c2ccccc2C1=O	ZINC000770861464	930290027	/nfs/dbraw/zinc/29/00/27/930290027.db2.gz	IGMFKAWNGHSTNZ-CQSZACIVSA-N	1	0	354.406	1.702	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2	ZINC001109841199	930573345	/nfs/dbraw/zinc/57/33/45/930573345.db2.gz	MIBHNQNTNNALJL-AABGKKOBSA-N	1	0	355.482	1.733	20	30		FDEDRO
C=C[C@@H](CO)[NH2+][C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1	ZINC001170025068	930583801	/nfs/dbraw/zinc/58/38/01/930583801.db2.gz	FWUJGAKGAVSGSA-IHRRRGAJSA-N	1	0	371.503	1.034	20	30		FDEDRO
CN(CC[N@H+](C)C1CC1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N	ZINC000771351010	930609673	/nfs/dbraw/zinc/60/96/73/930609673.db2.gz	FCJCWPLUPRGKNR-UKRRQHHQSA-N	1	0	365.478	1.481	20	30		FDEDRO
C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCC(=O)N(C)CCC#N	ZINC000771457002	930661573	/nfs/dbraw/zinc/66/15/73/930661573.db2.gz	ISAYATZOCZLRNZ-CABCVRRESA-N	1	0	352.479	1.984	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](OC)C(F)(F)F)C2	ZINC001109937909	930843679	/nfs/dbraw/zinc/84/36/79/930843679.db2.gz	NNEAJQLYHZOYJH-ZOBORPQBSA-N	1	0	350.381	1.878	20	30		FDEDRO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@@H](CCO)C2CC2)CC1	ZINC000771796551	930892686	/nfs/dbraw/zinc/89/26/86/930892686.db2.gz	QSRKTZQKVHVKKH-HOTGVXAUSA-N	1	0	362.499	1.208	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCOC	ZINC001109996577	931013837	/nfs/dbraw/zinc/01/38/37/931013837.db2.gz	HVSBBSAUXMXSFG-NJAFHUGGSA-N	1	0	373.453	1.092	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1	ZINC000772114482	931081754	/nfs/dbraw/zinc/08/17/54/931081754.db2.gz	OHXDXWAHOFOQCP-UHFFFAOYSA-N	1	0	359.382	1.730	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)NCCc2ccc(Cl)cc2)CC1	ZINC000772116232	931082950	/nfs/dbraw/zinc/08/29/50/931082950.db2.gz	ONQDSPNYEFSYRN-UHFFFAOYSA-N	1	0	362.857	1.887	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)N[C@H]2CCOc3ccccc32)CC1	ZINC000772119196	931086467	/nfs/dbraw/zinc/08/64/67/931086467.db2.gz	FMFCGZQVVSIXQH-QAPCUYQASA-N	1	0	370.449	1.903	20	30		FDEDRO
CCC[C@@H](NC(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1	ZINC001110038805	931183344	/nfs/dbraw/zinc/18/33/44/931183344.db2.gz	WJPYWVSBVQBRQM-BDXSIMOUSA-N	1	0	369.469	1.617	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn3nc(C)cc3[nH]c1=O)C2	ZINC001112545370	931428411	/nfs/dbraw/zinc/42/84/11/931428411.db2.gz	GDRYLBOWUVZRSE-LIRRHRJNSA-N	1	0	355.442	1.349	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(-n3ccnc3)nn1)C2	ZINC001112545673	931430204	/nfs/dbraw/zinc/43/02/04/931430204.db2.gz	WUOZDWQXWKHLCH-JXFKEZNVSA-N	1	0	364.453	1.518	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnn3cc(OC)ccc13)C2	ZINC001112546422	931437683	/nfs/dbraw/zinc/43/76/83/931437683.db2.gz	KMWCYTRNLVSNJS-YWZLYKJASA-N	1	0	352.438	1.808	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc3nccn3c1)C2	ZINC001112561917	931590450	/nfs/dbraw/zinc/59/04/50/931590450.db2.gz	YQZBPFQXZBYOMH-RXVVDRJESA-N	1	0	366.465	1.816	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1Cc3ccccc3C1=O)C2	ZINC001112565340	931611570	/nfs/dbraw/zinc/61/15/70/931611570.db2.gz	WUDLCBMZGNZXOC-UWJYYQICSA-N	1	0	351.450	1.494	20	30		FDEDRO
Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)cc1C	ZINC001112573255	931673658	/nfs/dbraw/zinc/67/36/58/931673658.db2.gz	SEVXNHIZQGZUQT-RXVVDRJESA-N	1	0	368.481	1.775	20	30		FDEDRO
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CC[N@@H+](C2CCOCC2)C[C@H]1C	ZINC000785979088	931684719	/nfs/dbraw/zinc/68/47/19/931684719.db2.gz	BFAFFTOLBHMRAB-DNVCBOLYSA-N	1	0	357.454	1.957	20	30		FDEDRO
N#Cc1cccc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)CCNC(N)=O)C3)c1	ZINC001112576011	931707605	/nfs/dbraw/zinc/70/76/05/931707605.db2.gz	ORBREKDFIIEORI-PXNSSMCTSA-N	1	0	369.469	1.335	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1COCCN1C(C)=O)C2	ZINC001112581325	931743663	/nfs/dbraw/zinc/74/36/63/931743663.db2.gz	JGVQGEXLTFOBEK-NSHGMRRFSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1COCCN1C(C)=O)C2	ZINC001112581847	931745898	/nfs/dbraw/zinc/74/58/98/931745898.db2.gz	UIWZLZPJGAKXLT-BJLQDIEVSA-N	1	0	363.502	1.418	20	30		FDEDRO
C[C@H](OC(=O)c1ccc(C#N)[nH]1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000786093556	931746413	/nfs/dbraw/zinc/74/64/13/931746413.db2.gz	YBPFZJPGYTUKLB-WMLDXEAASA-N	1	0	366.421	1.822	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCNC(=O)c1cnccn1)C2	ZINC001112582494	931749160	/nfs/dbraw/zinc/74/91/60/931749160.db2.gz	ZIEKHMBWLLJOQK-KXBFYZLASA-N	1	0	357.458	1.001	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccnc1C(N)=O)C2	ZINC001112583444	931754216	/nfs/dbraw/zinc/75/42/16/931754216.db2.gz	SOJXACFPXABGJM-UGSOOPFHSA-N	1	0	362.861	1.765	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CS(=O)(=O)CC)C2	ZINC001112585880	931768067	/nfs/dbraw/zinc/76/80/67/931768067.db2.gz	WWLHIWFCQFUSII-RYRKJORJSA-N	1	0	356.532	1.994	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COc1cccc(C(N)=O)c1)C2	ZINC001112584876	931787292	/nfs/dbraw/zinc/78/72/92/931787292.db2.gz	NGRLQYDLELDAIY-UWJYYQICSA-N	1	0	371.481	1.959	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCCC2)C1	ZINC001112588605	931797811	/nfs/dbraw/zinc/79/78/11/931797811.db2.gz	JZSKFEPKVWSVJD-PXNSSMCTSA-N	1	0	363.502	1.420	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+]C(C)(C)C2CCOCC2)CC1	ZINC000786166489	931809623	/nfs/dbraw/zinc/80/96/23/931809623.db2.gz	RQNHJBZKFBJCQA-KRWDZBQOSA-N	1	0	350.507	1.474	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc(C(N)=O)n1)C2	ZINC001112587953	931812826	/nfs/dbraw/zinc/81/28/26/931812826.db2.gz	ZKAJIHPVBLUOCK-YWZLYKJASA-N	1	0	356.470	1.979	20	30		FDEDRO
CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)C1	ZINC000786785601	932033376	/nfs/dbraw/zinc/03/33/76/932033376.db2.gz	PAKAGPPYLCCXFG-KKUMJFAQSA-N	1	0	350.463	1.784	20	30		FDEDRO
C[C@@H](OC(=O)CC[N@@H+]1CCc2ccccc2C1)C(=O)NC1(C#N)CCC1	ZINC000786821728	932053981	/nfs/dbraw/zinc/05/39/81/932053981.db2.gz	PCQFAQIXKBEVGM-OAHLLOKOSA-N	1	0	355.438	1.929	20	30		FDEDRO
CC[C@@H]1C[C@H]1C(=O)NCCCCC[NH+]1CCN(c2cncc(C#N)n2)CC1	ZINC001112641669	932054873	/nfs/dbraw/zinc/05/48/73/932054873.db2.gz	ZCRHCBOSFYDHBT-SJLPKXTDSA-N	1	0	370.501	1.803	20	30		FDEDRO
N#Cc1cnn2c1[nH]c(COC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)cc2=O	ZINC000786888570	932095090	/nfs/dbraw/zinc/09/50/90/932095090.db2.gz	HOBGDPOHUMZKRG-HNNXBMFYSA-N	1	0	355.398	1.757	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccncc1	ZINC000788241334	932614227	/nfs/dbraw/zinc/61/42/27/932614227.db2.gz	FLMNXSLFHQDBJS-MAUKXSAKSA-N	1	0	362.499	1.369	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001112866029	932669231	/nfs/dbraw/zinc/66/92/31/932669231.db2.gz	MLQZHHGZDLOUMJ-FGTMMUONSA-N	1	0	364.534	1.284	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2nc(C)c(C)[nH]c2=O)C1	ZINC001086594816	933870160	/nfs/dbraw/zinc/87/01/60/933870160.db2.gz	VUCJREXEJZHNQT-ZWKOTPCHSA-N	1	0	364.449	1.608	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)C1	ZINC001086595764	933905267	/nfs/dbraw/zinc/90/52/67/933905267.db2.gz	SBSLVNQASWGZHQ-CEXWTWQISA-N	1	0	353.466	1.462	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn(C)nc2COC)C1	ZINC001086596189	933927889	/nfs/dbraw/zinc/92/78/89/933927889.db2.gz	OZWJNZCKOPRTAY-FUHWJXTLSA-N	1	0	354.454	1.950	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCc1cc(C#N)ccc1F	ZINC000793901639	938334369	/nfs/dbraw/zinc/33/43/69/938334369.db2.gz	NRNDGNQBLKNBBT-UONOGXRCSA-N	1	0	360.433	1.550	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1C#N	ZINC000793901665	938334375	/nfs/dbraw/zinc/33/43/75/938334375.db2.gz	OEPNLSQZCWOKKI-LSDHHAIUSA-N	1	0	372.469	1.420	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2[nH]cnc2CC)[C@@H](n2ccnn2)C1	ZINC001129406837	938404302	/nfs/dbraw/zinc/40/43/02/938404302.db2.gz	AHQLKYGFPRWGGI-SJORKVTESA-N	1	0	371.489	1.965	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1	ZINC001086622749	938422144	/nfs/dbraw/zinc/42/21/44/938422144.db2.gz	PEJMRBXWBASOGS-JKSUJKDBSA-N	1	0	370.453	1.087	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCc2c(C)n[nH]c2C)[C@@H](n2ccnn2)C1	ZINC001129433469	938422962	/nfs/dbraw/zinc/42/29/62/938422962.db2.gz	BAFWMDJGDMNIEE-MSOLQXFVSA-N	1	0	371.489	1.559	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)COc2cccc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129438311	938425130	/nfs/dbraw/zinc/42/51/30/938425130.db2.gz	QFRHHWLMNWHQRW-MOPGFXCFSA-N	1	0	369.469	1.973	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](Cc2ccccc2)OC)[C@@H](n2ccnn2)C1	ZINC001129441378	938427183	/nfs/dbraw/zinc/42/71/83/938427183.db2.gz	RPEFTEYRZJBHIG-CEXWTWQISA-N	1	0	369.469	1.453	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc(CC)n(C)n2)[C@@H](n2ccnn2)C1	ZINC001129490831	938442441	/nfs/dbraw/zinc/44/24/41/938442441.db2.gz	QFHBJYXIEQROOJ-SJORKVTESA-N	1	0	357.462	1.196	20	30		FDEDRO
C#CC[C@@H](CC(=O)N[C@@H]1C[N@@H+](CC)C[C@@H]1n1ccnn1)c1ccccc1	ZINC001129496105	938443985	/nfs/dbraw/zinc/44/39/85/938443985.db2.gz	FOYNKBSMIRWTJB-OTWHNJEPSA-N	1	0	351.454	1.837	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnc(C)cn2)C[C@@H]1n1ccnn1	ZINC001129536773	938453788	/nfs/dbraw/zinc/45/37/88/938453788.db2.gz	JPHAAASACIZQBO-XYPHTWIQSA-N	1	0	355.446	1.387	20	30		FDEDRO
O=C(c1ccoc1)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129573249	938458702	/nfs/dbraw/zinc/45/87/02/938458702.db2.gz	LVSKSNRKIGXXIW-MOPGFXCFSA-N	1	0	361.405	1.578	20	30		FDEDRO
CC(C)OCC(=O)N1C[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@@H](n2ccnn2)C1	ZINC001129664900	938478119	/nfs/dbraw/zinc/47/81/19/938478119.db2.gz	VWHLHKCVEFZZDB-MSOLQXFVSA-N	1	0	368.441	1.116	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1	ZINC001129675036	938489991	/nfs/dbraw/zinc/48/99/91/938489991.db2.gz	FEHJVHLKUZKBJR-NXHRZFHOSA-N	1	0	370.457	1.196	20	30		FDEDRO
CCOCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H](n2ccnn2)C1	ZINC001129675453	938490525	/nfs/dbraw/zinc/49/05/25/938490525.db2.gz	MRLMGPOGGQKWFW-MSOLQXFVSA-N	1	0	368.441	1.118	20	30		FDEDRO
Cc1cccc(CCC[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2n2ccnn2)c1	ZINC001129677808	938491118	/nfs/dbraw/zinc/49/11/18/938491118.db2.gz	OCFROBLFWOZJTM-QRQLOZEOSA-N	1	0	366.469	1.721	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cscc2C)C[C@@H]1n1ccnn1	ZINC001129736886	938497216	/nfs/dbraw/zinc/49/72/16/938497216.db2.gz	AJDDKLSUBKAZGF-CVEARBPZSA-N	1	0	361.471	1.506	20	30		FDEDRO
N#Cc1cc(C(=O)N2C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n3ccnn3)C2)c[nH]1	ZINC001129761942	938503133	/nfs/dbraw/zinc/50/31/33/938503133.db2.gz	FOEYWWNOSGUPGX-OLZOCXBDSA-N	1	0	367.335	1.086	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H]([NH2+]Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129795350	938509001	/nfs/dbraw/zinc/50/90/01/938509001.db2.gz	GMACIEFNRCBAQH-AOIWGVFYSA-N	1	0	355.442	1.147	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2coc(CC)n2)C[C@@H]1n1ccnn1	ZINC001129774250	938512803	/nfs/dbraw/zinc/51/28/03/938512803.db2.gz	HOBWEYPMLZMUEP-LZWOXQAQSA-N	1	0	358.446	1.839	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCCO2)[C@@H](n2ccnn2)C1	ZINC001129777768	938513366	/nfs/dbraw/zinc/51/33/66/938513366.db2.gz	ARYYUZDIQGENET-KURKYZTESA-N	1	0	359.474	1.382	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2ccnn2CC)C[C@@H]1n1ccnn1	ZINC001129783002	938515168	/nfs/dbraw/zinc/51/51/68/938515168.db2.gz	RBNAFXSRXBUYIX-AEFFLSMTSA-N	1	0	371.489	1.896	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cc(C)cs2)C[C@@H]1n1ccnn1	ZINC001129811452	938519643	/nfs/dbraw/zinc/51/96/43/938519643.db2.gz	IMCSPWJVMUNWRV-CABCVRRESA-N	1	0	361.471	1.506	20	30		FDEDRO
CCCCOCC[NH2+][C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1n1ccnn1	ZINC001129822553	938522325	/nfs/dbraw/zinc/52/23/25/938522325.db2.gz	XBJREQYAQRGXKN-SJORKVTESA-N	1	0	361.490	1.486	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2ccncc2C)C[C@@H]1n1ccnn1	ZINC001129846066	938525512	/nfs/dbraw/zinc/52/55/12/938525512.db2.gz	WOCQFZDLPWAFCH-QRQLOZEOSA-N	1	0	368.485	1.920	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]([NH2+]CCC[C@H](C)O)[C@@H](n2ccnn2)C1	ZINC001129866383	938525985	/nfs/dbraw/zinc/52/59/85/938525985.db2.gz	ATSLXVQOYBLDHO-CFVMTHIKSA-N	1	0	369.897	1.559	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2cccc(F)c2)C[C@@H]1n1ccnn1	ZINC001129866715	938526492	/nfs/dbraw/zinc/52/64/92/938526492.db2.gz	HYDHUNMABLTCML-OLMNPRSZSA-N	1	0	371.416	1.250	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2C[C@H]2c2ccccc2)C[C@@H]1n1ccnn1	ZINC001129850218	938527448	/nfs/dbraw/zinc/52/74/48/938527448.db2.gz	SHPARWJYLWVLKG-HAGHYFMRSA-N	1	0	363.465	1.837	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccncc2)C[C@@H]1n1ccnn1	ZINC001129856111	938529016	/nfs/dbraw/zinc/52/90/16/938529016.db2.gz	XNKQOUKJVFZGBT-MANSERQUSA-N	1	0	366.469	1.785	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2ccnc2CC)C[C@@H]1n1ccnn1	ZINC001129856129	938529020	/nfs/dbraw/zinc/52/90/20/938529020.db2.gz	XWFIXAGVDKZYHU-ZACQAIPSSA-N	1	0	369.473	1.053	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3cn[nH]c32)C[C@@H]1n1ccnn1	ZINC001129857817	938529686	/nfs/dbraw/zinc/52/96/86/938529686.db2.gz	FXFYMJJOKLUQRF-BBWFWOEESA-N	1	0	369.473	1.429	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H]([NH2+]CCC2CCCC2)[C@@H](n2ccnn2)C1	ZINC001129837285	938534623	/nfs/dbraw/zinc/53/46/23/938534623.db2.gz	ADELENZVOVQOSI-MSOLQXFVSA-N	1	0	359.474	1.240	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCCCCCC)C[C@@H]1n1ccnn1	ZINC001129838346	938535278	/nfs/dbraw/zinc/53/52/78/938535278.db2.gz	VQJKAHLJPJFSQG-KSZLIROESA-N	1	0	361.490	1.628	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@@H](OCC)C(=C)C)C[C@@H]1n1ccnn1	ZINC001129879188	938536541	/nfs/dbraw/zinc/53/65/41/938536541.db2.gz	WNEVLHIPVLMREM-FGTMMUONSA-N	1	0	361.490	1.957	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCC3)C[C@@H]1n1ccnn1	ZINC001129881224	938537170	/nfs/dbraw/zinc/53/71/70/938537170.db2.gz	AERRGTBCOSVYJW-SJORKVTESA-N	1	0	355.446	1.042	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H]([NH2+]Cc2cn(C)nc2C)[C@@H](n2ccnn2)C1	ZINC001129884023	938538492	/nfs/dbraw/zinc/53/84/92/938538492.db2.gz	HFDFRCMRNOUOAM-SJORKVTESA-N	1	0	357.462	1.218	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CC2(C(F)(F)F)CC2)C[C@@H]1n1ccnn1	ZINC001129890475	938541453	/nfs/dbraw/zinc/54/14/53/938541453.db2.gz	KJQZNOFNXUMENR-OLZOCXBDSA-N	1	0	355.364	1.376	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2nsc3ccccc32)C[C@@H]1n1ccnn1	ZINC001129866945	938543584	/nfs/dbraw/zinc/54/35/84/938543584.db2.gz	KVWIDBHHXZLPHK-CABCVRRESA-N	1	0	366.450	1.566	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]([NH2+][C@@H](C)COC)[C@@H](n2ccnn2)C1	ZINC001129867585	938544157	/nfs/dbraw/zinc/54/41/57/938544157.db2.gz	UGLJNXLPABAFHX-YUTCNCBUSA-N	1	0	355.870	1.433	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2C=CCCC2)C[C@@H]1n1ccnn1	ZINC001129907230	938549277	/nfs/dbraw/zinc/54/92/77/938549277.db2.gz	XYCPWMZWUDMDJF-KURKYZTESA-N	1	0	357.458	1.016	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c3c[nH]nc3ccc2C)C[C@@H]1n1ccnn1	ZINC001129916998	938553862	/nfs/dbraw/zinc/55/38/62/938553862.db2.gz	JATKGPDVGXIHJY-SJORKVTESA-N	1	0	363.425	1.141	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C)C(CC)CC)C[C@@H]1n1ccnn1	ZINC001129917469	938554404	/nfs/dbraw/zinc/55/44/04/938554404.db2.gz	TWMZTTIFQWHNFY-NXHRZFHOSA-N	1	0	363.506	1.895	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H]([NH2+]CC3CCC3)[C@@H](n3ccnn3)C2)CCOCC1	ZINC001129894375	938555609	/nfs/dbraw/zinc/55/56/09/938555609.db2.gz	DBFJZKAHKJJBMQ-MSOLQXFVSA-N	1	0	371.485	1.240	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H]([NH2+]C[C@H](CC)OC)[C@@H](n3ccnn3)C2)CCC1	ZINC001129894584	938555667	/nfs/dbraw/zinc/55/56/67/938555667.db2.gz	KHRBRSVELJYQFQ-BBWFWOEESA-N	1	0	359.474	1.238	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H]([NH2+]CC=C(C)C)[C@@H](n3ccnn3)C2)CCOCC1	ZINC001129894924	938556465	/nfs/dbraw/zinc/55/64/65/938556465.db2.gz	YCSNENVPBPXDTH-MSOLQXFVSA-N	1	0	371.485	1.406	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2cnccc2C)C[C@@H]1n1ccnn1	ZINC001129898145	938558673	/nfs/dbraw/zinc/55/86/73/938558673.db2.gz	OAGABZCYTXCZSI-MSOLQXFVSA-N	1	0	354.458	1.532	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cncc(Cl)c2C)C[C@@H]1n1ccnn1	ZINC001129899869	938559526	/nfs/dbraw/zinc/55/95/26/938559526.db2.gz	PRWWBLLDSMYFAR-CVEARBPZSA-N	1	0	358.833	1.314	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)C2(COC)CC2)C[C@@H]1n1ccnn1	ZINC001129943011	938562700	/nfs/dbraw/zinc/56/27/00/938562700.db2.gz	KTXBYXXKGTUPOU-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cncc2C)C[C@@H]1n1ccnn1	ZINC001129934244	938563567	/nfs/dbraw/zinc/56/35/67/938563567.db2.gz	WCEFHGZSQKRMCL-OIISXLGYSA-N	1	0	357.462	1.179	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2CCC)C[C@@H]1n1ccnn1	ZINC001129919227	938567519	/nfs/dbraw/zinc/56/75/19/938567519.db2.gz	QTPCTZGSOGQTHP-QGTPRVQTSA-N	1	0	371.489	1.964	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccccc2COC)C[C@@H]1n1ccnn1	ZINC001129921051	938568333	/nfs/dbraw/zinc/56/83/33/938568333.db2.gz	MFTWQLZGGQHBMD-MSOLQXFVSA-N	1	0	353.426	1.103	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2nc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001129926757	938571203	/nfs/dbraw/zinc/57/12/03/938571203.db2.gz	FEKVYRROQRYVEO-QGTPRVQTSA-N	1	0	371.489	1.488	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2noc3ccccc23)C[C@@H]1n1ccnn1	ZINC001129928651	938571946	/nfs/dbraw/zinc/57/19/46/938571946.db2.gz	DHBVTRWYCQXOPE-SJORKVTESA-N	1	0	364.409	1.027	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)CCOC3)C[C@@H]1n1ccnn1	ZINC001129930433	938572712	/nfs/dbraw/zinc/57/27/12/938572712.db2.gz	HELKKZJDOOFUQV-MOPGFXCFSA-N	1	0	365.437	1.029	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)(C)C)on2)C[C@@H]1n1ccnn1	ZINC001129930614	938573088	/nfs/dbraw/zinc/57/30/88/938573088.db2.gz	NBYIBPXSRDFCEL-CABCVRRESA-N	1	0	356.430	1.242	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3ccsc3[nH]2)C[C@@H]1n1ccnn1	ZINC001129948851	938573591	/nfs/dbraw/zinc/57/35/91/938573591.db2.gz	CFZAJDNMZOZDDI-CABCVRRESA-N	1	0	354.439	1.500	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(C)nn(C)c2Cl)C[C@@H]1n1ccnn1	ZINC001129949192	938574060	/nfs/dbraw/zinc/57/40/60/938574060.db2.gz	UDZUXFPEPMPCFM-OLZOCXBDSA-N	1	0	363.853	1.205	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001129952329	938575268	/nfs/dbraw/zinc/57/52/68/938575268.db2.gz	PBLCHHCHUSHBLB-MOPGFXCFSA-N	1	0	351.454	1.584	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)nc2C2CC2)C[C@@H]1n1ccnn1	ZINC001129952133	938575291	/nfs/dbraw/zinc/57/52/91/938575291.db2.gz	JEKIYGYZOQOMEM-MSOLQXFVSA-N	1	0	364.453	1.538	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1	ZINC001086626662	938577603	/nfs/dbraw/zinc/57/76/03/938577603.db2.gz	ZCKYEUGSWNNBHW-KSZLIROESA-N	1	0	354.454	1.137	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H]([NH2+]CCC(=C)C)[C@@H](n2ccnn2)C1	ZINC001129945927	938581097	/nfs/dbraw/zinc/58/10/97/938581097.db2.gz	YMALMBRPGKFKCT-AOIWGVFYSA-N	1	0	361.490	1.815	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)NC[C@]1(COC)CCCN1C(=O)OC(C)(C)C	ZINC000804788544	938581335	/nfs/dbraw/zinc/58/13/35/938581335.db2.gz	ORHOYZQZIWBEGB-SFHVURJKSA-N	1	0	355.479	1.637	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cn(C)nc2C)[C@@H](n2ccnn2)C1	ZINC001129978140	938593702	/nfs/dbraw/zinc/59/37/02/938593702.db2.gz	SLPQEKQIYDCRAQ-QGTPRVQTSA-N	1	0	371.489	1.464	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2ncccc2OC)C[C@@H]1n1ccnn1	ZINC001129980899	938595973	/nfs/dbraw/zinc/59/59/73/938595973.db2.gz	ZCVFXCMZENARRW-SJORKVTESA-N	1	0	370.457	1.232	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H](COC)OC)C[C@@H]1n1ccnn1	ZINC001130002990	938603605	/nfs/dbraw/zinc/60/36/05/938603605.db2.gz	YGSBFCVOTNGEAG-IKGGRYGDSA-N	1	0	367.494	1.251	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)cccc2Cl)C[C@@H]1n1ccnn1	ZINC001129995962	938604745	/nfs/dbraw/zinc/60/47/45/938604745.db2.gz	USEZIHGICJNRLT-CVEARBPZSA-N	1	0	357.845	1.919	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(C)(C)C2)C[C@@H]1n1ccnn1	ZINC001129997356	938605613	/nfs/dbraw/zinc/60/56/13/938605613.db2.gz	JGKLNQWFKDEUOV-BBWFWOEESA-N	1	0	359.474	1.096	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3nc[nH]c32)C[C@@H]1n1ccnn1	ZINC001130000627	938607727	/nfs/dbraw/zinc/60/77/27/938607727.db2.gz	HJCOFXIYROHFOH-BMFZPTHFSA-N	1	0	355.446	1.039	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3nonc3c2)C[C@@H]1n1ccnn1	ZINC001129988022	938611316	/nfs/dbraw/zinc/61/13/16/938611316.db2.gz	DTOUIDTZDXMOJQ-CVEARBPZSA-N	1	0	353.386	1.046	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)c(Cl)c2)C[C@@H]1n1ccnn1	ZINC001129990285	938612580	/nfs/dbraw/zinc/61/25/80/938612580.db2.gz	WEIDPUGWKJRYSU-SJORKVTESA-N	1	0	357.845	1.919	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(F)ccc2Cl)C[C@@H]1n1ccnn1	ZINC001130017630	938618011	/nfs/dbraw/zinc/61/80/11/938618011.db2.gz	QSDPOKDIYCDGGQ-CVEARBPZSA-N	1	0	361.808	1.749	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H]([NH2+]CC[C@H]2CCOC2)[C@@H](n2ccnn2)C1	ZINC001130022991	938621207	/nfs/dbraw/zinc/62/12/07/938621207.db2.gz	SQLUQSKCVYYHLV-BBWFWOEESA-N	1	0	361.490	1.649	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C2(C)CCOCC2)C[C@@H]1n1ccnn1	ZINC001130040583	938626993	/nfs/dbraw/zinc/62/69/93/938626993.db2.gz	BRVHSMSRDHPGNY-BBWFWOEESA-N	1	0	361.490	1.791	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2ccccc2C)C[C@@H]1n1ccnn1	ZINC001130024222	938628311	/nfs/dbraw/zinc/62/83/11/938628311.db2.gz	NLNPZSCJEIGUGX-MOPGFXCFSA-N	1	0	351.454	1.584	20	30		FDEDRO
C#CCCCS(=O)(=O)N1CCC(C(=O)NCCC[NH+](CC)CC)CC1	ZINC000804955746	938628724	/nfs/dbraw/zinc/62/87/24/938628724.db2.gz	RBBBTHZOPHLVGY-UHFFFAOYSA-N	1	0	371.547	1.290	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c(C)noc2C)C[C@@H]1n1ccnn1	ZINC001130030744	938632121	/nfs/dbraw/zinc/63/21/21/938632121.db2.gz	PGDVPJCZULZMTO-VHSSKADRSA-N	1	0	370.457	1.127	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2cn[nH]c2)C[C@@H]1n1ccnn1	ZINC001130033075	938633688	/nfs/dbraw/zinc/63/36/88/938633688.db2.gz	RYOVKEPGWJNOFD-UAGQMJEPSA-N	1	0	357.462	1.330	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(C)nc(C)n2)C[C@@H]1n1ccnn1	ZINC001130038163	938636442	/nfs/dbraw/zinc/63/64/42/938636442.db2.gz	PHOHYTCVUDZYFP-SJORKVTESA-N	1	0	355.446	1.306	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](c2cccnc2)C(C)C)C[C@@H]1n1ccnn1	ZINC001130057081	938642408	/nfs/dbraw/zinc/64/24/08/938642408.db2.gz	HVCQATLWKWGROL-CEXWTWQISA-N	1	0	366.469	1.478	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2ccccc2F)C[C@@H]1n1ccnn1	ZINC001130044145	938643245	/nfs/dbraw/zinc/64/32/45/938643245.db2.gz	SKUUDQVFEWTMTE-QGTPRVQTSA-N	1	0	355.417	1.586	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)cc3cn[nH]c32)C[C@@H]1n1ccnn1	ZINC001130045877	938645297	/nfs/dbraw/zinc/64/52/97/938645297.db2.gz	CREIGHVKUPODEB-SJORKVTESA-N	1	0	363.425	1.141	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2C2CC2)C[C@@H]1n1ccnn1	ZINC001130066457	938654979	/nfs/dbraw/zinc/65/49/79/938654979.db2.gz	AELBGOZQIZNKNH-XYPHTWIQSA-N	1	0	369.473	1.889	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)nn2C)C[C@@H]1n1ccnn1	ZINC001130066621	938655283	/nfs/dbraw/zinc/65/52/83/938655283.db2.gz	HKBMDKOKNNYUDY-AEFFLSMTSA-N	1	0	371.489	1.757	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn(CC)c2C2CC2)C[C@@H]1n1ccnn1	ZINC001130081234	938662216	/nfs/dbraw/zinc/66/22/16/938662216.db2.gz	DURKIBFLQQEELH-SJORKVTESA-N	1	0	369.473	1.603	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccnc(OC(C)C)c2)C[C@@H]1n1ccnn1	ZINC001130081489	938662876	/nfs/dbraw/zinc/66/28/76/938662876.db2.gz	RLAFKTVLBZOPLF-SJORKVTESA-N	1	0	368.441	1.139	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccnc(OC(C)C)c2)C[C@@H]1n1ccnn1	ZINC001130081557	938663031	/nfs/dbraw/zinc/66/30/31/938663031.db2.gz	VMXOBJZUFCPWFG-SJORKVTESA-N	1	0	370.457	1.692	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2oc(CCC)nc2C)C[C@@H]1n1ccnn1	ZINC001130086283	938667694	/nfs/dbraw/zinc/66/76/94/938667694.db2.gz	UDNOUNSLBSDPIL-CABCVRRESA-N	1	0	358.446	1.758	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn3c2CCCC3)C[C@@H]1n1ccnn1	ZINC001130074976	938669141	/nfs/dbraw/zinc/66/91/41/938669141.db2.gz	KFUVZWVVVUDXBZ-WBVHZDCISA-N	1	0	355.446	1.042	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2ccc(C)s2)C[C@@H]1n1ccnn1	ZINC001130088622	938674899	/nfs/dbraw/zinc/67/48/99/938674899.db2.gz	ARKOHLNGPCRBLK-OAGGEKHMSA-N	1	0	357.483	1.817	20	30		FDEDRO
CC[C@@H](CC(=O)N1C[C@@H]([NH2+]CC#CCOC)[C@@H](n2ccnn2)C1)C(C)C	ZINC001130097001	938681332	/nfs/dbraw/zinc/68/13/32/938681332.db2.gz	XPLMGLQNUFIGAG-KSZLIROESA-N	1	0	361.490	1.342	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnc(C3CC3)s2)C[C@@H]1n1ccnn1	ZINC001130099544	938682177	/nfs/dbraw/zinc/68/21/77/938682177.db2.gz	HXOSRMSKCHLVLX-KGLIPLIRSA-N	1	0	356.455	1.291	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc(N(C)C)c2)C[C@@H]1n1ccnn1	ZINC001130102224	938684189	/nfs/dbraw/zinc/68/41/89/938684189.db2.gz	NPUKGFSHYNJZKF-MSOLQXFVSA-N	1	0	352.442	1.023	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@@H]1n1ccnn1	ZINC001130105071	938685955	/nfs/dbraw/zinc/68/59/55/938685955.db2.gz	JDAJKTRMTMMBPA-KGLIPLIRSA-N	1	0	371.432	1.504	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccsc2C(F)F)C[C@@H]1n1ccnn1	ZINC001130105143	938685964	/nfs/dbraw/zinc/68/59/64/938685964.db2.gz	NALIJBFJXHWWIA-OLZOCXBDSA-N	1	0	365.409	1.956	20	30		FDEDRO
CCc1ccc(C(=O)N2C[C@@H]([NH2+]CC#CCOC)[C@@H](n3ccnn3)C2)cc1	ZINC001130111964	938690852	/nfs/dbraw/zinc/69/08/52/938690852.db2.gz	PHRRTXUIZQCKOW-MOPGFXCFSA-N	1	0	367.453	1.146	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COc2ccccc2C)C[C@@H]1n1ccnn1	ZINC001130112553	938692027	/nfs/dbraw/zinc/69/20/27/938692027.db2.gz	GCDGRNSYPBNLRL-SJORKVTESA-N	1	0	355.442	1.583	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@@H]1n1ccnn1	ZINC001130112509	938692117	/nfs/dbraw/zinc/69/21/17/938692117.db2.gz	CXYSZVSGHWKHCJ-BMFZPTHFSA-N	1	0	356.430	1.389	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2ccccc2OC)C[C@@H]1n1ccnn1	ZINC001130112625	938692316	/nfs/dbraw/zinc/69/23/16/938692316.db2.gz	JJTKBOIAYVMCEZ-MSOLQXFVSA-N	1	0	369.469	1.837	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)COc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130125503	938696629	/nfs/dbraw/zinc/69/66/29/938696629.db2.gz	QVARVJZMJUIONO-JQHSSLGASA-N	1	0	355.442	1.521	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc3c(c2)CCC3)C[C@@H]1n1ccnn1	ZINC001130118229	938701529	/nfs/dbraw/zinc/70/15/29/938701529.db2.gz	BIBKJLFMZLJDSA-UXHICEINSA-N	1	0	363.465	1.374	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2c(C)n[nH]c2C)C[C@@H]1n1ccnn1	ZINC001130123623	938705726	/nfs/dbraw/zinc/70/57/26/938705726.db2.gz	WHYNYJJZTIZIEP-SJORKVTESA-N	1	0	357.462	1.168	20	30		FDEDRO
C=C[C@H](CC(=O)N1C[C@@H]([NH2+]CCOC)[C@@H](n2ccnn2)C1)c1ccccc1	ZINC001130134121	938708893	/nfs/dbraw/zinc/70/88/93/938708893.db2.gz	TVNLBADWABTWRY-QRQLOZEOSA-N	1	0	369.469	1.626	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cccc(OC)c2)C[C@@H]1n1ccnn1	ZINC001130139597	938711654	/nfs/dbraw/zinc/71/16/54/938711654.db2.gz	DWARLXLLUSSMIY-IPELMVKDSA-N	1	0	367.453	1.455	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)c3c2CCC3)C[C@@H]1n1ccnn1	ZINC001130143278	938714432	/nfs/dbraw/zinc/71/44/32/938714432.db2.gz	QXQGVGGIGFTAOW-UXHICEINSA-N	1	0	363.465	1.754	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)CCCC(N)=O)C[C@@H]1n1ccnn1	ZINC001130153146	938716932	/nfs/dbraw/zinc/71/69/32/938716932.db2.gz	AHSWYOPIGKBIOR-CVEARBPZSA-N	1	0	364.494	1.246	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cnn(C)c2)C[C@@H]1n1ccnn1	ZINC001130161332	938721439	/nfs/dbraw/zinc/72/14/39/938721439.db2.gz	RSJAFXTXRBSJDS-OIISXLGYSA-N	1	0	357.462	1.123	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CC(F)(F)C(F)(F)F)C[C@@H]1n1ccnn1	ZINC001130163941	938722312	/nfs/dbraw/zinc/72/23/12/938722312.db2.gz	YWJJDWSLFMRTOZ-MNOVXSKESA-N	1	0	367.322	1.783	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)F)[nH]1	ZINC001130179332	938726353	/nfs/dbraw/zinc/72/63/53/938726353.db2.gz	BHCPIKHJSRVTOS-IHRRRGAJSA-N	1	0	367.469	1.986	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)CSC)[nH]1	ZINC001130192911	938737005	/nfs/dbraw/zinc/73/70/05/938737005.db2.gz	AOGBHGSRINZQIY-IHRRRGAJSA-N	1	0	367.519	1.458	20	30		FDEDRO
C=CCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCCCF)[nH]1	ZINC001130193074	938737315	/nfs/dbraw/zinc/73/73/15/938737315.db2.gz	HIGWUJAYFKNPLK-GJZGRUSLSA-N	1	0	367.469	1.989	20	30		FDEDRO
C=CCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CC(C)C2)[nH]1	ZINC001130193325	938738024	/nfs/dbraw/zinc/73/80/24/938738024.db2.gz	SBPUSIMCWRBYFY-CKUJCDMFSA-N	1	0	361.490	1.895	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2=COCCC2)[nH]1	ZINC001130193321	938738104	/nfs/dbraw/zinc/73/81/04/938738104.db2.gz	RVRZWKUZUZZHBR-GJZGRUSLSA-N	1	0	361.446	1.153	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2OC)C1=O	ZINC000805443648	938741161	/nfs/dbraw/zinc/74/11/61/938741161.db2.gz	ILDWFQAIQCQJQP-MRXNPFEDSA-N	1	0	361.442	1.039	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccn2C)[nH]1	ZINC001130184887	938744164	/nfs/dbraw/zinc/74/41/64/938744164.db2.gz	LKNUZXCERHHBFE-ZFWWWQNUSA-N	1	0	358.446	1.111	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCOC(C)C)[nH]1	ZINC001130185110	938744515	/nfs/dbraw/zinc/74/45/15/938744515.db2.gz	XCFNCWSFMZTSKR-GJZGRUSLSA-N	1	0	365.478	1.274	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CC(C)(C)C2)n1	ZINC001130207534	938746554	/nfs/dbraw/zinc/74/65/54/938746554.db2.gz	FIKJZMKJSFYDOD-GJZGRUSLSA-N	1	0	359.474	1.343	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc[nH]c2CC)[nH]1	ZINC001130207593	938746659	/nfs/dbraw/zinc/74/66/59/938746659.db2.gz	IKFVCHBUTGQOFO-HOCLYGCPSA-N	1	0	370.457	1.111	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C#CC(C)C)[nH]1	ZINC001130209868	938747880	/nfs/dbraw/zinc/74/78/80/938747880.db2.gz	OOAZNEMEHYNVPD-HOTGVXAUSA-N	1	0	359.474	1.509	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccsn2)[nH]1	ZINC001130220827	938756454	/nfs/dbraw/zinc/75/64/54/938756454.db2.gz	NFANGGWOVDZDMJ-AAEUAGOBSA-N	1	0	362.459	1.229	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cncc(CC)c2)[nH]1	ZINC001130223160	938757213	/nfs/dbraw/zinc/75/72/13/938757213.db2.gz	OWORVUBWTAXJSF-HOTGVXAUSA-N	1	0	370.457	1.340	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@](C)(F)CCCC)[nH]1	ZINC001130223470	938757528	/nfs/dbraw/zinc/75/75/28/938757528.db2.gz	VUFSJZUIQCZJID-DEYYWGMASA-N	1	0	367.469	1.987	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)CC(F)F)[nH]1	ZINC001130224771	938758542	/nfs/dbraw/zinc/75/85/42/938758542.db2.gz	BCWGJOFOQSMLQF-AVGNSLFASA-N	1	0	371.432	1.750	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](CCC)OC)[nH]1	ZINC001130224966	938759216	/nfs/dbraw/zinc/75/92/16/938759216.db2.gz	KVMMEJUUMBDSDZ-ZNMIVQPWSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=CC(C)(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C[C@@H](C)OC)[nH]1	ZINC001130227918	938762188	/nfs/dbraw/zinc/76/21/88/938762188.db2.gz	VOOKJLSAEWLQLI-RDBSUJKOSA-N	1	0	365.478	1.130	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cocc2C)n1	ZINC001130227984	938762437	/nfs/dbraw/zinc/76/24/37/938762437.db2.gz	YAPHOQVKOMCVGV-ZFWWWQNUSA-N	1	0	357.414	1.122	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc[nH]c2C2CC2)[nH]1	ZINC001130232913	938765303	/nfs/dbraw/zinc/76/53/03/938765303.db2.gz	SZNIMAKOJZLRNI-ZFWWWQNUSA-N	1	0	370.457	1.588	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)C2CC2)[nH]1	ZINC001130234650	938765804	/nfs/dbraw/zinc/76/58/04/938765804.db2.gz	GIDYBUDQYQFFSD-GJZGRUSLSA-N	1	0	359.474	1.343	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCC(C)(C)C)[nH]1	ZINC001130242072	938769212	/nfs/dbraw/zinc/76/92/12/938769212.db2.gz	CYFWGZNYYOHEMH-GJZGRUSLSA-N	1	0	361.490	1.733	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(C)cc2C)n1	ZINC001130249208	938773491	/nfs/dbraw/zinc/77/34/91/938773491.db2.gz	PGXPARXTKGBGEI-IRXDYDNUSA-N	1	0	367.453	1.447	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)s1	ZINC001130257388	938777438	/nfs/dbraw/zinc/77/74/38/938777438.db2.gz	GGPSGSSVQFIMOC-NEPJUHHUSA-N	1	0	363.361	1.172	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCSC)CC1	ZINC001130269149	938783742	/nfs/dbraw/zinc/78/37/42/938783742.db2.gz	BJBKIILTOMMSMQ-QAPCUYQASA-N	1	0	351.516	1.238	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCCOC)CC1	ZINC001130274466	938786718	/nfs/dbraw/zinc/78/67/18/938786718.db2.gz	PJMDSJNBBGICOM-APWZRJJASA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[C@H]2CCCO2)CC1	ZINC001130274623	938787089	/nfs/dbraw/zinc/78/70/89/938787089.db2.gz	WONHQRVAXIIANH-HLIPFELVSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)OCC2CC2)CC1	ZINC001130276958	938788290	/nfs/dbraw/zinc/78/82/90/938788290.db2.gz	WCXUYSJMFAVNQJ-YJLNNSPDSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](OCC)C2CC2)CC1	ZINC001130288059	938792614	/nfs/dbraw/zinc/79/26/14/938792614.db2.gz	IWQPFGSDNXMOAZ-NZSAHSFTSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2ncc[nH]2)CC1	ZINC001130288474	938793459	/nfs/dbraw/zinc/79/34/59/938793459.db2.gz	RBIJJRJLZMNGGP-BEFAXECRSA-N	1	0	359.474	1.004	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCOC)CC1	ZINC001130293262	938796799	/nfs/dbraw/zinc/79/67/99/938796799.db2.gz	PUHAAOOLDFOOIL-AEFFLSMTSA-N	1	0	365.518	1.711	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)CC(F)F)CC1	ZINC001130293321	938796922	/nfs/dbraw/zinc/79/69/22/938796922.db2.gz	ULKXIZNSCODWRJ-SIIHOXLZSA-N	1	0	369.456	1.776	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCOC)CC1	ZINC001130299160	938799550	/nfs/dbraw/zinc/79/95/50/938799550.db2.gz	ZPLWRIHSLOIRTQ-IMFGXOCKSA-N	1	0	365.518	1.711	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(=O)[nH]n3)C2)ccc1F	ZINC001086636091	938847348	/nfs/dbraw/zinc/84/73/48/938847348.db2.gz	VIRMLTWSYGEZHV-DZGCQCFKSA-N	1	0	369.400	1.881	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2C#N)C1	ZINC000747284784	938855854	/nfs/dbraw/zinc/85/58/54/938855854.db2.gz	FFXOSXATROFVKZ-CQSZACIVSA-N	1	0	369.462	1.819	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC(C)C)C[C@H]1c1cn(C)cn1	ZINC001130480535	938875650	/nfs/dbraw/zinc/87/56/50/938875650.db2.gz	SEXZTAHTCWDRKR-YQQAZPJKSA-N	1	0	361.490	1.041	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1c1cn(C)cn1	ZINC001130488446	938880747	/nfs/dbraw/zinc/88/07/47/938880747.db2.gz	WKMGFPLCDJSAAT-HHXXYDBFSA-N	1	0	369.469	1.606	20	30		FDEDRO
Cn1cnc([C@@H]2CN(C(=O)CSCC#N)C[C@H]2[NH2+]CCCCCF)c1	ZINC001130502412	938885475	/nfs/dbraw/zinc/88/54/75/938885475.db2.gz	LFSMTVYHCVXIPY-GOEBONIOSA-N	1	0	367.494	1.701	20	30		FDEDRO
Cc1oncc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1c1cn(C)cn1	ZINC001130583473	939883327	/nfs/dbraw/zinc/88/33/27/939883327.db2.gz	AUQHJAGGUMVVMP-FUHWJXTLSA-N	1	0	355.442	1.460	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)nn2)C[C@H]1c1cn(C)cn1	ZINC001130590467	939897082	/nfs/dbraw/zinc/89/70/82/939897082.db2.gz	REZHSFPLDBQJEV-MAUKXSAKSA-N	1	0	354.458	1.683	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccnn2C2CCC2)C[C@H]1c1cn(C)cn1	ZINC001130590446	939897087	/nfs/dbraw/zinc/89/70/87/939897087.db2.gz	PVLIUUCKDNMOSS-FUHWJXTLSA-N	1	0	366.469	1.563	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCCCC)C1	ZINC001130593202	939900260	/nfs/dbraw/zinc/90/02/60/939900260.db2.gz	VKEHTRYKQRIUDS-JENIJYKNSA-N	1	0	360.502	1.923	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)c(F)c2)C[C@H]1c1cn(C)cn1	ZINC001130610818	939908302	/nfs/dbraw/zinc/90/83/02/939908302.db2.gz	RXVGQIUWFRVEET-MAUKXSAKSA-N	1	0	370.428	1.789	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ncc(C)cc2OC)C[C@H]1c1cn(C)cn1	ZINC001130607867	939919682	/nfs/dbraw/zinc/91/96/82/939919682.db2.gz	OOARVGIEYMXJKZ-DOTOQJQBSA-N	1	0	367.453	1.353	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccsn2)C[C@H]1c1cn(C)cn1	ZINC001130616786	939928269	/nfs/dbraw/zinc/92/82/69/939928269.db2.gz	BIQRJNWEVFXQBU-XJKSGUPXSA-N	1	0	361.471	1.277	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2nc(C)sc2C)C[C@H]1c1cn(C)cn1	ZINC001130617164	939928540	/nfs/dbraw/zinc/92/85/40/939928540.db2.gz	QTGGCJXDCFWUKR-MAUKXSAKSA-N	1	0	371.510	1.643	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CCC(F)F)C[C@H]1c1cn(C)cn1	ZINC001130630296	939934834	/nfs/dbraw/zinc/93/48/34/939934834.db2.gz	KUCBTWPTIMSVJG-DZGCQCFKSA-N	1	0	356.417	1.552	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccn(C(C)C)n2)C[C@H]1c1cn(C)cn1	ZINC001130630588	939934963	/nfs/dbraw/zinc/93/49/63/939934963.db2.gz	PJZDJPPWGZZTHF-PKOBYXMFSA-N	1	0	368.485	1.348	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2ccn(C(C)C)n2)C[C@H]1c1cn(C)cn1	ZINC001130630840	939935041	/nfs/dbraw/zinc/93/50/41/939935041.db2.gz	XYFMHXBEUWWDAI-PKOBYXMFSA-N	1	0	370.501	1.900	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)CC(F)(F)F)C[C@H]1c1cn(C)cn1	ZINC001130632472	939935506	/nfs/dbraw/zinc/93/55/06/939935506.db2.gz	AUGSCCWCNCMSQT-VNHYZAJKSA-N	1	0	356.392	1.916	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)COCC(F)F)C[C@H]1c1cn(C)cn1	ZINC001130637926	939940310	/nfs/dbraw/zinc/94/03/10/939940310.db2.gz	RYZNQKSPHZRBBR-DZGCQCFKSA-N	1	0	370.444	1.798	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCCCC)C1	ZINC001111678443	939949090	/nfs/dbraw/zinc/94/90/90/939949090.db2.gz	FCPUFFQTXCDUMT-BXWFABGCSA-N	1	0	351.491	1.465	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)C=CCC2)C[C@H]1c1cn(C)cn1	ZINC001130644144	939952500	/nfs/dbraw/zinc/95/25/00/939952500.db2.gz	IZDFMWILVZEBMY-ILZDJORESA-N	1	0	356.470	1.310	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccnn2C)C1	ZINC001130656567	939960866	/nfs/dbraw/zinc/96/08/66/939960866.db2.gz	LIIQXTADGDDXQP-VDZJLULYSA-N	1	0	370.501	1.840	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCn2cncn2)C1	ZINC001130656925	939961090	/nfs/dbraw/zinc/96/10/90/939961090.db2.gz	STVXWSJFQKQSMN-XYJFISCASA-N	1	0	371.489	1.198	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#CCOC)C1	ZINC001130662440	939967752	/nfs/dbraw/zinc/96/77/52/939967752.db2.gz	YKCMSHKWJDDRIP-HQRMLTQVSA-N	1	0	358.486	1.556	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC=C(C)C)C2)c1	ZINC001130670459	939970751	/nfs/dbraw/zinc/97/07/51/939970751.db2.gz	ZLGMHFLLMSWJAA-AZUAARDMSA-N	1	0	363.465	1.960	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3nc[nH]c32)C[C@H]1c1cn(C)cn1	ZINC001130672096	939971101	/nfs/dbraw/zinc/97/11/01/939971101.db2.gz	GIDREDYQOCEBOK-RVKKMQEKSA-N	1	0	368.485	1.723	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2(C(C)C)CC2)C[C@H]1c1cn(C)cn1	ZINC001130672732	939972104	/nfs/dbraw/zinc/97/21/04/939972104.db2.gz	XQBNWAYFYQRHSH-FUHWJXTLSA-N	1	0	358.486	1.390	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2nccn3ccnc23)C[C@H]1c1cn(C)cn1	ZINC001130674771	939972767	/nfs/dbraw/zinc/97/27/67/939972767.db2.gz	DEWKVFOGTTYKHM-GOEBONIOSA-N	1	0	365.441	1.237	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ocnc2C(F)F)C[C@H]1c1cn(C)cn1	ZINC001130677946	939974187	/nfs/dbraw/zinc/97/41/87/939974187.db2.gz	IVKZYZOIZSYFQB-WCQYABFASA-N	1	0	363.368	1.567	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2cn(C)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130687751	939977485	/nfs/dbraw/zinc/97/74/85/939977485.db2.gz	OYTQWDCKNICXDD-PKOBYXMFSA-N	1	0	370.501	1.555	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccn(CC)n2)C[C@H]1c1cn(C)cn1	ZINC001130687669	939977496	/nfs/dbraw/zinc/97/74/96/939977496.db2.gz	KTEXJCGPIFSXNH-MAUKXSAKSA-N	1	0	356.474	1.801	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#CC)C1	ZINC001130689785	939979596	/nfs/dbraw/zinc/97/95/96/939979596.db2.gz	LLCUJVBGIQPTAM-DKKFBQAASA-N	1	0	356.470	1.309	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2ccnc2)C[C@H]1c1cn(C)cn1	ZINC001130682490	939981911	/nfs/dbraw/zinc/98/19/11/939981911.db2.gz	BGRHGCFRYMREDC-SOLBZPMBSA-N	1	0	354.458	1.175	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)[nH]c2=O)C[C@H]1c1cn(C)cn1	ZINC001130682523	939982256	/nfs/dbraw/zinc/98/22/56/939982256.db2.gz	CSXILLRZTLOLIA-FUHWJXTLSA-N	1	0	369.469	1.993	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cn2nccc2C)C[C@H]1c1cn(C)cn1	ZINC001130683085	939983111	/nfs/dbraw/zinc/98/31/11/939983111.db2.gz	WZLDLXPETXOYTR-FUHWJXTLSA-N	1	0	356.474	1.475	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2csc(Cl)n2)C[C@H]1c1cn(C)cn1	ZINC001130706543	939988333	/nfs/dbraw/zinc/98/83/33/939988333.db2.gz	LJMHHRGYCNCRBU-WCQYABFASA-N	1	0	363.874	1.751	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc3nc[nH]c32)C[C@H]1c1cn(C)cn1	ZINC001130698882	939992835	/nfs/dbraw/zinc/99/28/35/939992835.db2.gz	VZBNFDXUVJKHOX-MAUKXSAKSA-N	1	0	362.437	1.518	20	30		FDEDRO
CC[C@@H](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#CCOC)C1	ZINC001130700800	939996003	/nfs/dbraw/zinc/99/60/03/939996003.db2.gz	FOTXZBPTSULAPR-ZIFCJYIRSA-N	1	0	360.502	1.780	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2ccccn2)C[C@H]1c1cn(C)cn1	ZINC001130714680	940006214	/nfs/dbraw/zinc/00/62/14/940006214.db2.gz	HIFDZJCOFBKPFM-XYJFISCASA-N	1	0	369.469	1.743	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)[nH]nc2C(C)C)C[C@H]1c1cn(C)cn1	ZINC001130708475	940014507	/nfs/dbraw/zinc/01/45/07/940014507.db2.gz	RZCHCQNEEOSAHB-DOTOQJQBSA-N	1	0	368.485	1.796	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2c(C)n[nH]c2C)C[C@H]1c1cn(C)cn1	ZINC001130725739	940030434	/nfs/dbraw/zinc/03/04/34/940030434.db2.gz	CCSVNJSGSQPDNW-FUHWJXTLSA-N	1	0	356.474	1.463	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCOCC)C1	ZINC001130741591	940034186	/nfs/dbraw/zinc/03/41/86/940034186.db2.gz	JZTXTDFEESEGFR-FUHWJXTLSA-N	1	0	364.490	1.323	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)cn2)C[C@H]1c1cn(C)cn1	ZINC001130736443	940037462	/nfs/dbraw/zinc/03/74/62/940037462.db2.gz	FDUDAVUSQIHSEB-QFBILLFUSA-N	1	0	366.469	1.102	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(=O)[nH]c2C)C[C@H]1c1cn(C)cn1	ZINC001130731693	940045221	/nfs/dbraw/zinc/04/52/21/940045221.db2.gz	LUAWXGJIZUFCGV-DOTOQJQBSA-N	1	0	367.453	1.359	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(=O)[nH]c2C)C[C@H]1c1cn(C)cn1	ZINC001130732110	940045746	/nfs/dbraw/zinc/04/57/46/940045746.db2.gz	ZXENSQZGMCMMEV-DOTOQJQBSA-N	1	0	367.453	1.359	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C/C=C\Cl)C1	ZINC001130742013	940046639	/nfs/dbraw/zinc/04/66/39/940046639.db2.gz	WEEBQGSYTCKASA-YMYIHSNWSA-N	1	0	352.866	1.649	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(C)(F)F)n2)O1	ZINC001130749329	940055650	/nfs/dbraw/zinc/05/56/50/940055650.db2.gz	FMKWUXNVOQHZOS-NWDGAFQWSA-N	1	0	357.405	1.852	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3CCCCC3)n2)O1	ZINC001130749453	940056679	/nfs/dbraw/zinc/05/66/79/940056679.db2.gz	IEWLYHSFRJVOOF-JKSUJKDBSA-N	1	0	359.474	1.834	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccccc3)n2)O1	ZINC001130754569	940065146	/nfs/dbraw/zinc/06/51/46/940065146.db2.gz	HHKUQMCPUUTOEQ-JKSUJKDBSA-N	1	0	353.426	1.568	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCCC(C)=O)n2)O1	ZINC001130756646	940079507	/nfs/dbraw/zinc/07/95/07/940079507.db2.gz	SCSHQKFEOYPDLP-LSDHHAIUSA-N	1	0	361.446	1.013	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COCC)n2)O1	ZINC001130758344	940084199	/nfs/dbraw/zinc/08/41/99/940084199.db2.gz	YHIIHLACQGJBLH-SOUVJXGZSA-N	1	0	365.478	1.622	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3ccc(C)o3)n2)O1	ZINC001130774776	940091237	/nfs/dbraw/zinc/09/12/37/940091237.db2.gz	BZVJIQVBLSDRMC-LSDHHAIUSA-N	1	0	357.414	1.008	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3oc(C)cc3C)n2)O1	ZINC001130775391	940092810	/nfs/dbraw/zinc/09/28/10/940092810.db2.gz	UDOQJSFMHIXMCB-LSDHHAIUSA-N	1	0	371.441	1.778	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC(F)(F)F)n2)O1	ZINC001130764988	940094186	/nfs/dbraw/zinc/09/41/86/940094186.db2.gz	BLFKIOLJMQWYQD-WDEREUQCSA-N	1	0	361.368	1.759	20	30		FDEDRO
C=CCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C[C@@H](CC)OC)O2)n[nH]1	ZINC001130767570	940101332	/nfs/dbraw/zinc/10/13/32/940101332.db2.gz	MLQHLJJUOKNGOF-QLFBSQMISA-N	1	0	365.478	1.622	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCCOCC)n2)O1	ZINC001130767491	940101483	/nfs/dbraw/zinc/10/14/83/940101483.db2.gz	KWRACZDPXMIDIT-UONOGXRCSA-N	1	0	351.451	1.233	20	30		FDEDRO
CC/C=C\CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)C#N)n2)O1	ZINC001130769264	940105650	/nfs/dbraw/zinc/10/56/50/940105650.db2.gz	AIQCKLSSJHPOTI-JXHPXPKJSA-N	1	0	360.462	1.747	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cncc(C)c3)n2)O1	ZINC001130772199	940111703	/nfs/dbraw/zinc/11/17/03/940111703.db2.gz	CPXVTEJOWJSXMN-JKSUJKDBSA-N	1	0	368.441	1.271	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cncc(C)c3)n2)O1	ZINC001130772645	940113375	/nfs/dbraw/zinc/11/33/75/940113375.db2.gz	WFAKNZACDNUNIN-JKSUJKDBSA-N	1	0	368.441	1.271	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)CSC)n2)O1	ZINC001130772654	940113573	/nfs/dbraw/zinc/11/35/73/940113573.db2.gz	WPJWOISDNHUSRE-FRRDWIJNSA-N	1	0	353.492	1.416	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](CC)SC)n2)O1	ZINC001130776380	940125003	/nfs/dbraw/zinc/12/50/03/940125003.db2.gz	BPSMMVZEFCZEQU-MJBXVCDLSA-N	1	0	365.503	1.396	20	30		FDEDRO
C=CCOCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC)O2)n[nH]1	ZINC001130777158	940127871	/nfs/dbraw/zinc/12/78/71/940127871.db2.gz	UGGCITQWMWZBQJ-UONOGXRCSA-N	1	0	351.451	1.233	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](CC)SC)n2)O1	ZINC001130777222	940128481	/nfs/dbraw/zinc/12/84/81/940128481.db2.gz	XJBXNNHOWQRIBL-XQQFMLRXSA-N	1	0	351.476	1.005	20	30		FDEDRO
C#CCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCOC)O2)n[nH]1	ZINC001130778180	940130901	/nfs/dbraw/zinc/13/09/01/940130901.db2.gz	KAZWWRRFKXCMDF-LSDHHAIUSA-N	1	0	363.462	1.071	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC3(F)F)n2)O1	ZINC001130778120	940131004	/nfs/dbraw/zinc/13/10/04/940131004.db2.gz	GSULUKHJQLYZJQ-SDDRHHMPSA-N	1	0	355.389	1.462	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(CCF)CC3)n2)O1	ZINC001130794134	940145500	/nfs/dbraw/zinc/14/55/00/940145500.db2.gz	NGDYOELSZTUQJF-UONOGXRCSA-N	1	0	365.453	1.947	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3C[C@H]3C)n2)O1	ZINC001130795898	940149167	/nfs/dbraw/zinc/14/91/67/940149167.db2.gz	CUMCETNOAHZGQM-GWNIPJSYSA-N	1	0	353.854	1.639	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cccc(CC)n3)n2)O1	ZINC001130790015	940160947	/nfs/dbraw/zinc/16/09/47/940160947.db2.gz	CXCKPAIYOIPARU-GOEBONIOSA-N	1	0	368.441	1.135	20	30		FDEDRO
C#CCC1(C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CC=C)O3)n[nH]2)CCC1	ZINC001130790401	940164496	/nfs/dbraw/zinc/16/44/96/940164496.db2.gz	YJEZLGXRTBWJGF-LSDHHAIUSA-N	1	0	357.458	1.610	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCc3ccncc3)n2)O1	ZINC001130792507	940170592	/nfs/dbraw/zinc/17/05/92/940170592.db2.gz	HYOOLRPPJRSVJQ-JKSUJKDBSA-N	1	0	370.457	1.444	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](F)c3ccccc3)n2)O1	ZINC001130809232	940186442	/nfs/dbraw/zinc/18/64/42/940186442.db2.gz	MZJIUGOUSMGSIS-ZMSDIMECSA-N	1	0	371.416	1.575	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)C(F)(F)F)n2)O1	ZINC001130799321	940191051	/nfs/dbraw/zinc/19/10/51/940191051.db2.gz	BHZRRVGKTAFWFW-OUAUKWLOSA-N	1	0	361.368	1.615	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)C(F)(F)F)n2)O1	ZINC001130799320	940191662	/nfs/dbraw/zinc/19/16/62/940191662.db2.gz	BHZRRVGKTAFWFW-GARJFASQSA-N	1	0	361.368	1.615	20	30		FDEDRO
C=CCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCOC)O2)n[nH]1	ZINC001130799777	940194251	/nfs/dbraw/zinc/19/42/51/940194251.db2.gz	XKBPUDUOCVHKPB-UONOGXRCSA-N	1	0	351.451	1.233	20	30		FDEDRO
C=CCO[C@H](C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC(C)C)O2)n[nH]1	ZINC001130822796	940203175	/nfs/dbraw/zinc/20/31/75/940203175.db2.gz	MKLMOAAIHLTEJB-QLFBSQMISA-N	1	0	365.478	1.478	20	30		FDEDRO
C#C[C@@H](C)N(C)C(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1	ZINC000807064837	940238614	/nfs/dbraw/zinc/23/86/14/940238614.db2.gz	WIPHPNFSSOBDLT-CQSZACIVSA-N	1	0	358.442	1.386	20	30		FDEDRO
COCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#Cc2ccc(F)cc2)C1	ZINC001130882396	940279340	/nfs/dbraw/zinc/27/93/40/940279340.db2.gz	DGNCHPWYPWGGHS-QZTJIDSGSA-N	1	0	370.428	1.141	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCn2cccn2)C[C@H]1c1cncn1C	ZINC001130915167	940324620	/nfs/dbraw/zinc/32/46/20/940324620.db2.gz	ALQGLEMPXARRRJ-IAGOWNOFSA-N	1	0	356.474	1.557	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCCO2)C[C@H]1c1cncn1C	ZINC001130916242	940325377	/nfs/dbraw/zinc/32/53/77/940325377.db2.gz	YSCVSBSMHQNVHI-BRWVUGGUSA-N	1	0	362.474	1.076	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1	ZINC000807400891	940350431	/nfs/dbraw/zinc/35/04/31/940350431.db2.gz	GQEVVTDEMLBMKC-VQIMIIECSA-N	1	0	370.497	1.849	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2CC(F)(F)C2)C[C@H]1c1cncn1C	ZINC001130961346	940367160	/nfs/dbraw/zinc/36/71/60/940367160.db2.gz	DQWBIYDCSGMGHS-HUUCEWRRSA-N	1	0	368.428	1.552	20	30		FDEDRO
COCCCC[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1c1cncn1C	ZINC001130961875	940367389	/nfs/dbraw/zinc/36/73/89/940367389.db2.gz	WFFRBGDWHSKXRW-NVXWUHKLSA-N	1	0	370.457	1.244	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)C(C)(C)C	ZINC000807536205	940393452	/nfs/dbraw/zinc/39/34/52/940393452.db2.gz	MUYJQQMUSSPPTJ-GOSISDBHSA-N	1	0	370.497	1.931	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)C(C)(C)C	ZINC000807535873	940393727	/nfs/dbraw/zinc/39/37/27/940393727.db2.gz	MJYPMFPTJMCGHD-MRXNPFEDSA-N	1	0	372.469	1.679	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC[C@H]2CCCO2)C1	ZINC001130977965	940408977	/nfs/dbraw/zinc/40/89/77/940408977.db2.gz	KMJJFBSTEJAMAL-KZNAEPCWSA-N	1	0	358.486	1.677	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@@H](C)CCC=C)C1	ZINC001130988896	940410722	/nfs/dbraw/zinc/41/07/22/940410722.db2.gz	OTWPPPIMNVFJAT-RCCFBDPRSA-N	1	0	358.486	1.699	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C/C=C/Cl)C1	ZINC001130988724	940410776	/nfs/dbraw/zinc/41/07/76/940410776.db2.gz	KXKFEVDBDNTWPD-WYVSAIIBSA-N	1	0	350.850	1.097	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(CC)CC)C1	ZINC001130989218	940411621	/nfs/dbraw/zinc/41/16/21/940411621.db2.gz	XTGGLBZQBOFDLP-QZTJIDSGSA-N	1	0	360.502	1.780	20	30		FDEDRO
Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1c1cncn1C	ZINC001130991279	940413554	/nfs/dbraw/zinc/41/35/54/940413554.db2.gz	BSIXXJPPJUJXBE-IEBWSBKVSA-N	1	0	365.481	1.867	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2ccnn2C)C[C@H]1c1cncn1C	ZINC001130991285	940413590	/nfs/dbraw/zinc/41/35/90/940413590.db2.gz	CCTAOFDBJLLPTJ-BRWVUGGUSA-N	1	0	370.501	1.808	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC2CCOCC2)C1	ZINC001130991681	940414493	/nfs/dbraw/zinc/41/44/93/940414493.db2.gz	XHSBXFZESGSQEP-QZTJIDSGSA-N	1	0	358.486	1.390	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@H]2CCCCO2)C1	ZINC001130991627	940414559	/nfs/dbraw/zinc/41/45/59/940414559.db2.gz	URWQPIPXYGTDOR-KZNAEPCWSA-N	1	0	358.486	1.533	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccncc2C)C[C@H]1c1cncn1C	ZINC001130995878	940419514	/nfs/dbraw/zinc/41/95/14/940419514.db2.gz	PCAYNKJOINJCCD-QZTJIDSGSA-N	1	0	351.454	1.274	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C[C@H]1c1cncn1C	ZINC001130996044	940420137	/nfs/dbraw/zinc/42/01/37/940420137.db2.gz	YYCCBCARLVSOFI-RHQZKXFESA-N	1	0	352.482	1.930	20	30		FDEDRO
Cn1cncc1[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]CCOCC1CC1	ZINC001130986136	940423858	/nfs/dbraw/zinc/42/38/58/940423858.db2.gz	YQFAXVOCSLXCEA-QZTJIDSGSA-N	1	0	356.470	1.144	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCF)C1)OCC	ZINC001131001536	940427955	/nfs/dbraw/zinc/42/79/55/940427955.db2.gz	FIJNFFCRTCQYLP-BFYDXBDKSA-N	1	0	352.454	1.645	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2C=CC=CC=C2)C[C@H]1c1cncn1C	ZINC001131001649	940428189	/nfs/dbraw/zinc/42/81/89/940428189.db2.gz	GUZKQTJHTQZURK-RTBURBONSA-N	1	0	368.481	1.805	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccnn2[C@H](C)CC)C[C@H]1c1cncn1C	ZINC001131003279	940429671	/nfs/dbraw/zinc/42/96/71/940429671.db2.gz	BKGKBHYIPFSTEA-BRWVUGGUSA-N	1	0	368.485	1.809	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)nnc2C)C[C@H]1c1cncn1C	ZINC001131003501	940429751	/nfs/dbraw/zinc/42/97/51/940429751.db2.gz	HJJGVYPHQYRKEU-IAGOWNOFSA-N	1	0	354.458	1.601	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@H](C)C(=O)NC)C1	ZINC001131003670	940429867	/nfs/dbraw/zinc/42/98/67/940429867.db2.gz	NVGFIOIWMQOLGC-RBSFLKMASA-N	1	0	361.490	1.041	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCn2cncn2)C1	ZINC001131003633	940429944	/nfs/dbraw/zinc/42/99/44/940429944.db2.gz	NAJFFMIJNRVDFL-HZPDHXFCSA-N	1	0	371.489	1.198	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2cc(C3CC3)no2)C[C@H]1c1cncn1C	ZINC001131007789	940434119	/nfs/dbraw/zinc/43/41/19/940434119.db2.gz	LHWYWWPJBGBVCN-SJLPKXTDSA-N	1	0	367.453	1.436	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)nnc2CC)C[C@H]1c1cncn1C	ZINC001131017917	940438927	/nfs/dbraw/zinc/43/89/27/940438927.db2.gz	SNYNYIGSHKZUDU-SJLPKXTDSA-N	1	0	366.469	1.302	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C2CCC2)C[C@H]1c1cncn1C	ZINC001131018025	940439272	/nfs/dbraw/zinc/43/92/72/940439272.db2.gz	YFKRBKZLZLXJKJ-CGTJXYLNSA-N	1	0	358.486	1.390	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC(=C)C)C1	ZINC001131010124	940440905	/nfs/dbraw/zinc/44/09/05/940440905.db2.gz	BAJXHVBDHRVUPM-QRVBRYPASA-N	1	0	369.513	1.368	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3cccn3cn2)C[C@H]1c1cncn1C	ZINC001131014609	940447941	/nfs/dbraw/zinc/44/79/41/940447941.db2.gz	BZQSLDXKIQWBEQ-SJLPKXTDSA-N	1	0	362.437	1.289	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC2(F)F)C[C@H]1c1cncn1C	ZINC001131015479	940448637	/nfs/dbraw/zinc/44/86/37/940448637.db2.gz	YFMWSCOWWACCJQ-QLFBSQMISA-N	1	0	368.428	1.552	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C(C)(C)COC)C[C@H]1c1cncn1C	ZINC001131031067	940450633	/nfs/dbraw/zinc/45/06/33/940450633.db2.gz	GHQIJCNLKKVTBV-HZPDHXFCSA-N	1	0	364.490	1.179	20	30		FDEDRO
C=C/C(C)=C\CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CCOC)C1	ZINC001131046313	940475387	/nfs/dbraw/zinc/47/53/87/940475387.db2.gz	LJOAIXOKWSTETE-OLEITNIESA-N	1	0	356.470	1.476	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)CC(F)(F)F)C[C@H]1c1cncn1C	ZINC001131061971	940479795	/nfs/dbraw/zinc/47/97/95/940479795.db2.gz	PHKUDYDAOFHFCV-BFHYXJOUSA-N	1	0	356.392	1.916	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CC(C)(F)F)C[C@H]1c1cncn1C	ZINC001131061994	940479849	/nfs/dbraw/zinc/47/98/49/940479849.db2.gz	QNRXYNBXCUVIRA-ZIAGYGMSSA-N	1	0	356.417	1.552	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnn(C)c2)C1	ZINC001131055650	940481671	/nfs/dbraw/zinc/48/16/71/940481671.db2.gz	GOIAFZZODMIKFV-KBAYOESNSA-N	1	0	370.501	1.840	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1c1cncn1C	ZINC001131070010	940484132	/nfs/dbraw/zinc/48/41/32/940484132.db2.gz	BFDBKXQAQZYVNL-CZUORRHYSA-N	1	0	370.457	1.011	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnc(C)nc2)C1	ZINC001131064207	940486487	/nfs/dbraw/zinc/48/64/87/940486487.db2.gz	BZMMIRAKENIIRN-QZTJIDSGSA-N	1	0	368.485	1.959	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCCC)C2)nn1	ZINC001131084542	940489440	/nfs/dbraw/zinc/48/94/40/940489440.db2.gz	YHWZPWBBBJUADM-HUUCEWRRSA-N	1	0	357.462	1.196	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)NC(C)=O)C[C@H]1c1cncn1C	ZINC001131073817	940490435	/nfs/dbraw/zinc/49/04/35/940490435.db2.gz	PRTFYJLYXOYRRO-IXDOHACOSA-N	1	0	361.490	1.185	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)C[C@H]1c1cncn1C	ZINC001131076589	940491308	/nfs/dbraw/zinc/49/13/08/940491308.db2.gz	RNLGANREVXXPIS-RHSMWYFYSA-N	1	0	352.442	1.242	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)COC)C[C@H]1c1cncn1C	ZINC001131099634	940492616	/nfs/dbraw/zinc/49/26/16/940492616.db2.gz	XAKSJPNOKDFBOA-BRWVUGGUSA-N	1	0	364.490	1.179	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnoc2C(C)C)C[C@H]1c1cncn1C	ZINC001131098424	940492650	/nfs/dbraw/zinc/49/26/50/940492650.db2.gz	DIQJFLAEILUZBQ-HZPDHXFCSA-N	1	0	355.442	1.753	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]cn2)C[C@H]1c1cncn1C	ZINC001131089680	940495015	/nfs/dbraw/zinc/49/50/15/940495015.db2.gz	UBOFBEWTMOGNGS-CGTJXYLNSA-N	1	0	370.501	1.872	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2c(C)n[nH]c2C)C[C@H]1c1cncn1C	ZINC001131091852	940495953	/nfs/dbraw/zinc/49/59/53/940495953.db2.gz	SLFRDZXOFUFVNP-KBRIMQKVSA-N	1	0	368.485	1.471	20	30		FDEDRO
COc1ccc(CNC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1C#N	ZINC000747433433	940496299	/nfs/dbraw/zinc/49/62/99/940496299.db2.gz	WRGCJVFKQNDQEY-IAGOWNOFSA-N	1	0	358.442	1.307	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cccn2)C[C@H]1c1cncn1C	ZINC001131103640	940501073	/nfs/dbraw/zinc/50/10/73/940501073.db2.gz	UNVFTYVQHWPFQK-BRWVUGGUSA-N	1	0	354.458	1.175	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOC)C1	ZINC001131117526	940504305	/nfs/dbraw/zinc/50/43/05/940504305.db2.gz	BWDXLEBTEITPPB-RTBURBONSA-N	1	0	366.465	1.175	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccnc2OCC)C[C@H]1c1cncn1C	ZINC001131117874	940504549	/nfs/dbraw/zinc/50/45/49/940504549.db2.gz	WUGMPKVASPGQTL-IAGOWNOFSA-N	1	0	369.469	1.988	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn3cc[nH]c23)C[C@H]1c1cncn1C	ZINC001131117795	940504578	/nfs/dbraw/zinc/50/45/78/940504578.db2.gz	SIQXHQXLIJTUNN-HUUCEWRRSA-N	1	0	353.430	1.170	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)c2)C[C@H]1c1cncn1C	ZINC001131125974	940507940	/nfs/dbraw/zinc/50/79/40/940507940.db2.gz	QBRHAXODBRXAFH-QZTJIDSGSA-N	1	0	370.501	1.637	20	30		FDEDRO
C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1c1cncn1C	ZINC001131130493	940511166	/nfs/dbraw/zinc/51/11/66/940511166.db2.gz	PTEUADWUPAKEAW-BHIYHBOVSA-N	1	0	366.465	1.127	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@H](CC)OC)C1	ZINC001131136535	940513544	/nfs/dbraw/zinc/51/35/44/940513544.db2.gz	RMNLGPBLLMMDFU-GVDBMIGSSA-N	1	0	364.490	1.322	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2O)CC1	ZINC000808143568	940521901	/nfs/dbraw/zinc/52/19/01/940521901.db2.gz	BCSZTUBYTGBHRL-KBPBESRZSA-N	1	0	358.442	1.212	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3nccnc3N)C2)c1	ZINC001086661737	940535807	/nfs/dbraw/zinc/53/58/07/940535807.db2.gz	GGPRLMOIGGHKCN-DZGCQCFKSA-N	1	0	368.416	1.758	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)COCC)C1	ZINC001131297740	940544953	/nfs/dbraw/zinc/54/49/53/940544953.db2.gz	KLHQIPJKTAPCLX-XHSDSOJGSA-N	1	0	351.447	1.095	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCCOC)C1	ZINC001131301238	940547122	/nfs/dbraw/zinc/54/71/22/940547122.db2.gz	PFVLFOXRYPUFPJ-BBWFWOEESA-N	1	0	365.474	1.485	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CSCCC)C1	ZINC001131304851	940548276	/nfs/dbraw/zinc/54/82/76/940548276.db2.gz	VSOVRDNSPICTGU-OAGGEKHMSA-N	1	0	367.515	1.812	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cnco2)C1	ZINC001131310407	940550161	/nfs/dbraw/zinc/55/01/61/940550161.db2.gz	QMFLVXRNSBABLU-FMKPAKJESA-N	1	0	360.414	1.360	20	30		FDEDRO
CC#CCCCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CC4CC4)C[C@H]32)C1	ZINC001131313356	940553106	/nfs/dbraw/zinc/55/31/06/940553106.db2.gz	OZNCXWCGRUSOOV-KSZLIROESA-N	1	0	359.470	1.696	20	30		FDEDRO
C=CCCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2c2ccncc2)CC1	ZINC001131362374	940558786	/nfs/dbraw/zinc/55/87/86/940558786.db2.gz	XZKCCLLAFNYVPU-RBUKOAKNSA-N	1	0	370.497	1.802	20	30		FDEDRO
COc1ncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)c(C)n1	ZINC001086668055	940565286	/nfs/dbraw/zinc/56/52/86/940565286.db2.gz	FQOHVCKQOOLXRB-XJKSGUPXSA-N	1	0	368.441	1.682	20	30		FDEDRO
CCn1c(C)nnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1	ZINC001086668217	940565661	/nfs/dbraw/zinc/56/56/61/940565661.db2.gz	JSZCXVJHOXJJQI-DZGCQCFKSA-N	1	0	355.446	1.495	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCC(C)C)CC1	ZINC001131418847	940567979	/nfs/dbraw/zinc/56/79/79/940567979.db2.gz	CMLYFBQRPWIVKY-XLIONFOSSA-N	1	0	365.518	1.711	20	30		FDEDRO
CCN(CC)C(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)C#N)CC1	ZINC001131451260	940604863	/nfs/dbraw/zinc/60/48/63/940604863.db2.gz	ISTIWGGKJOSJEG-LESCRADOSA-N	1	0	364.490	1.000	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H]2CCOC2)CC1	ZINC001131458901	940613873	/nfs/dbraw/zinc/61/38/73/940613873.db2.gz	XZEPNUGKOKCDGN-HQRMLTQVSA-N	1	0	364.486	1.049	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2cnn(C)c2)CC1	ZINC001131445165	940616623	/nfs/dbraw/zinc/61/66/23/940616623.db2.gz	LRPUMDJXXFIZHO-QUCCMNQESA-N	1	0	360.502	1.915	20	30		FDEDRO
C=CCOCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H](C)OC)CC1	ZINC001131467669	940624139	/nfs/dbraw/zinc/62/41/39/940624139.db2.gz	KKNWMUKBOULWEG-HQRMLTQVSA-N	1	0	368.518	1.990	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)/C=C/c2ccc[nH]2)CC1	ZINC001131478847	940634844	/nfs/dbraw/zinc/63/48/44/940634844.db2.gz	NDRVAHZPUBCKQG-BOXUBARPSA-N	1	0	371.481	1.663	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC2OCCCO2)CC1	ZINC001131479102	940635500	/nfs/dbraw/zinc/63/55/00/940635500.db2.gz	VIHBXVWJHZHBGP-APWZRJJASA-N	1	0	350.459	1.149	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC(=O)NC)CC1	ZINC001131480647	940636953	/nfs/dbraw/zinc/63/69/53/940636953.db2.gz	PYVXBBQJYAUUDK-OGWOLHLISA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H](C)NC(N)=O)CC1	ZINC001131495751	940646737	/nfs/dbraw/zinc/64/67/37/940646737.db2.gz	CUXNPGJQIBKLML-KYJSFNMBSA-N	1	0	366.506	1.385	20	30		FDEDRO
COC[C@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C#CC(C)(C)C)CC1	ZINC001131496108	940647458	/nfs/dbraw/zinc/64/74/58/940647458.db2.gz	PJIZLBNMTAPYPJ-LMMKCTJWSA-N	1	0	366.502	1.029	20	30		FDEDRO
C#CCOCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H](CC)OC)CC1	ZINC001131498659	940648912	/nfs/dbraw/zinc/64/89/12/940648912.db2.gz	IVLZEGLHYQDGET-NSHGMRRFSA-N	1	0	366.502	1.437	20	30		FDEDRO
C#CCOCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H]2CCOC2)CC1	ZINC001131498834	940649374	/nfs/dbraw/zinc/64/93/74/940649374.db2.gz	ORHOEKIHRXVCJC-HQRMLTQVSA-N	1	0	364.486	1.049	20	30		FDEDRO
C=C(C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCOC)CC1	ZINC001131506940	940669573	/nfs/dbraw/zinc/66/95/73/940669573.db2.gz	XKBHRTBMGIABIZ-QUCCMNQESA-N	1	0	368.518	1.991	20	30		FDEDRO
CCOC(=O)COc1cc(Cl)c(N[C@@H](C)[C@@H]2C[NH2+]CCO2)nc1C#N	ZINC001170565227	940680303	/nfs/dbraw/zinc/68/03/03/940680303.db2.gz	ULJNIZUDTLCVEX-HZMBPMFUSA-N	1	0	368.821	1.337	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H]2CCC(=O)N2C)CC1	ZINC001131537949	940726067	/nfs/dbraw/zinc/72/60/67/940726067.db2.gz	CBYVFNGHZBYKCC-QKLQHJQFSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C1CC(C)(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]C[C@@H](O)COC)CC2)C1	ZINC001131559914	940734317	/nfs/dbraw/zinc/73/43/17/940734317.db2.gz	NXWVHVJMLIBNOS-KURKYZTESA-N	1	0	366.502	1.336	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@]2(C)CCC(=O)N2)CC1	ZINC001131562143	940736003	/nfs/dbraw/zinc/73/60/03/940736003.db2.gz	MCEWDWAUMPQLIA-KPFFTGBYSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NC)CC1	ZINC001131572677	940748927	/nfs/dbraw/zinc/74/89/27/940748927.db2.gz	LDCOOOGXBHOALJ-WBVHZDCISA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COC[C@@H]2CCOC2)CC1	ZINC001131575422	940752671	/nfs/dbraw/zinc/75/26/71/940752671.db2.gz	XJPWRBVNJVLZIE-SUMDDJOVSA-N	1	0	352.475	1.211	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccn3ccnc23)CC1	ZINC001131580463	940766809	/nfs/dbraw/zinc/76/68/09/940766809.db2.gz	RZDOQBQNYBQZCT-MOPGFXCFSA-N	1	0	366.465	1.957	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCn2cccn2)CC1	ZINC001131606800	940784315	/nfs/dbraw/zinc/78/43/15/940784315.db2.gz	GVMLIRIUESOLQX-QUCCMNQESA-N	1	0	358.486	1.672	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(C(N)=O)cc2)CC1	ZINC001131601999	940785187	/nfs/dbraw/zinc/78/51/87/940785187.db2.gz	NDAKVKOTTGMWJQ-MOPGFXCFSA-N	1	0	371.481	1.961	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCc3c[nH]nc3C2)CC1	ZINC001131607064	940786415	/nfs/dbraw/zinc/78/64/15/940786415.db2.gz	VJLAJSLIPZJOSK-POAQFYNOSA-N	1	0	370.497	1.524	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1ccnn1C	ZINC001131636370	940805607	/nfs/dbraw/zinc/80/56/07/940805607.db2.gz	JFLCSLNGEHQBAJ-BZUAXINKSA-N	1	0	361.490	1.043	20	30		FDEDRO
COc1ccc(N2CC[NH+](CCCNc3ncncc3C#N)CC2)cc1	ZINC000809344704	940823030	/nfs/dbraw/zinc/82/30/30/940823030.db2.gz	VATRUGVQLNNTKN-UHFFFAOYSA-N	1	0	352.442	1.403	20	30		FDEDRO
CC(C)(C#N)CS(=O)(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO	ZINC000809396780	940836131	/nfs/dbraw/zinc/83/61/31/940836131.db2.gz	QFQZOHBFGNYHGA-KRWDZBQOSA-N	1	0	365.499	1.612	20	30		FDEDRO
CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)C1	ZINC000809504709	940846863	/nfs/dbraw/zinc/84/68/63/940846863.db2.gz	RORUJSNXCSYJDT-INIZCTEOSA-N	1	0	358.442	1.126	20	30		FDEDRO
CC(C)(C)c1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)[nH]1	ZINC001086676039	940923953	/nfs/dbraw/zinc/92/39/53/940923953.db2.gz	OSAVODRTXADOOY-QWHCGFSZSA-N	1	0	369.473	1.990	20	30		FDEDRO
N#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCCCC3)C2)[nH]1	ZINC001086676141	940924810	/nfs/dbraw/zinc/92/48/10/940924810.db2.gz	ZGKSCYARPHDIDP-JKSUJKDBSA-N	1	0	371.485	1.777	20	30		FDEDRO
N#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3noc4c3COCC4)C2)[nH]1	ZINC001086676282	940933151	/nfs/dbraw/zinc/93/31/51/940933151.db2.gz	OBOGIGIVSRMFIC-QWHCGFSZSA-N	1	0	369.425	1.635	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H](C2CC[NH+](CC(=O)NCCC#N)CC2)C1	ZINC000810086050	940948566	/nfs/dbraw/zinc/94/85/66/940948566.db2.gz	MBZJPXBAPPQCPY-MRXNPFEDSA-N	1	0	364.490	1.985	20	30		FDEDRO
CCCn1ncnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1	ZINC001086676545	940948846	/nfs/dbraw/zinc/94/88/46/940948846.db2.gz	IRHYOHFIHJDEQQ-DZGCQCFKSA-N	1	0	355.446	1.576	20	30		FDEDRO
Cn1nc(C2CC2)nc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1	ZINC001086676869	940949374	/nfs/dbraw/zinc/94/93/74/940949374.db2.gz	YOKVJNJNKIYZGJ-SWLSCSKDSA-N	1	0	367.457	1.581	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1F	ZINC000810369144	940976417	/nfs/dbraw/zinc/97/64/17/940976417.db2.gz	DUNSKEYQAXZJNY-MRXNPFEDSA-N	1	0	374.416	1.395	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-c3nc[nH]n3)c2)C1	ZINC001195215277	970770793	/nfs/dbraw/zinc/77/07/93/970770793.db2.gz	TVCFMDUBDVFJIU-QZTJIDSGSA-N	1	0	369.469	1.993	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c(C)csc3n2)C1	ZINC001195214792	970771148	/nfs/dbraw/zinc/77/11/48/970771148.db2.gz	MZONKHRFDYZXQQ-DAXOMENPSA-N	1	0	362.499	1.763	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3COC(=O)N3)C2)c1	ZINC001086686057	941072035	/nfs/dbraw/zinc/07/20/35/941072035.db2.gz	HTODXZBGPSGALT-JGGQBBKZSA-N	1	0	360.389	1.180	20	30		FDEDRO
CCn1nncc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1	ZINC001086690249	941099028	/nfs/dbraw/zinc/09/90/28/941099028.db2.gz	BOGFCSXOLVQDKH-GOEBONIOSA-N	1	0	370.432	1.997	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccncc3C)C2)C1=O	ZINC001086691868	941111879	/nfs/dbraw/zinc/11/18/79/941111879.db2.gz	FGCGFKGFQZTSEB-LZLYRXPVSA-N	1	0	356.470	1.665	20	30		FDEDRO
C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1OCCO[C@H]1C	ZINC001133399417	941248299	/nfs/dbraw/zinc/24/82/99/941248299.db2.gz	MQDGVYGMGGVVMF-YOEHRIQHSA-N	1	0	350.846	1.695	20	30		FDEDRO
C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1C[C@H]1C(=O)N(C)C	ZINC001133403765	941256005	/nfs/dbraw/zinc/25/60/05/941256005.db2.gz	HMSHHDNBIGTCMB-SJORKVTESA-N	1	0	361.873	1.616	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(=O)N(C)[C@H](C)c2ccc(F)cc2)CC1	ZINC000747818211	941273463	/nfs/dbraw/zinc/27/34/63/941273463.db2.gz	JRDXYVOLMBUJSW-OAHLLOKOSA-N	1	0	359.445	1.807	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)CC1	ZINC000747824357	941280030	/nfs/dbraw/zinc/28/00/30/941280030.db2.gz	MGPDWRFMDYDAEU-NOCBQHASSA-N	1	0	371.525	1.921	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1	ZINC000747823978	941280320	/nfs/dbraw/zinc/28/03/20/941280320.db2.gz	JJPBUGWYJISQHH-UHFFFAOYSA-N	1	0	372.425	1.693	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(=O)NCCc2ccc(Cl)cc2)CC1	ZINC000747823516	941283627	/nfs/dbraw/zinc/28/36/27/941283627.db2.gz	QLGOCBIJXCYGIU-UHFFFAOYSA-N	1	0	361.873	1.460	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)C3C=CC=CC=C3)C2)C1=O	ZINC001086708499	941285790	/nfs/dbraw/zinc/28/57/90/941285790.db2.gz	FSNSZYBVXBLHNI-QXAKKESOSA-N	1	0	355.482	1.946	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(C(N)=O)cc2OCC(F)F)CC1	ZINC000813284364	941361651	/nfs/dbraw/zinc/36/16/51/941361651.db2.gz	YBGBITRSBLWZAJ-UHFFFAOYSA-N	1	0	365.380	1.713	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1	ZINC000747854796	941392102	/nfs/dbraw/zinc/39/21/02/941392102.db2.gz	QVYVRBUWOSOZFO-UHFFFAOYSA-N	1	0	368.481	1.216	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)Nc1ccccc1OC	ZINC001134053054	941529682	/nfs/dbraw/zinc/52/96/82/941529682.db2.gz	LVDVDTVZONXDBZ-LZWOXQAQSA-N	1	0	361.442	1.319	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)C1CCC(C)CC1	ZINC001134054400	941531009	/nfs/dbraw/zinc/53/10/09/941531009.db2.gz	IAZVDCXUWFIAFJ-BACDZXNISA-N	1	0	351.491	1.320	20	30		FDEDRO
N#CCOc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1	ZINC001134138817	941581888	/nfs/dbraw/zinc/58/18/88/941581888.db2.gz	KAXDWUVOBBZUSA-RBUKOAKNSA-N	1	0	350.422	1.993	20	30		FDEDRO
Cn1cc(C=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)c(=O)[nH]1	ZINC000814213775	941588987	/nfs/dbraw/zinc/58/89/87/941588987.db2.gz	SKTHWSISNUSECO-UHFFFAOYSA-N	1	0	372.498	1.588	20	30		FDEDRO
C#C[C@@H](NC(=O)NCC(=O)NCC[NH+]1CCCCCC1)c1ccc(F)cc1	ZINC000814340017	941616916	/nfs/dbraw/zinc/61/69/16/941616916.db2.gz	SBPBAAHHEPATTQ-GOSISDBHSA-N	1	0	374.460	1.791	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)COC(=O)c2cc(C#N)cc(N(C)C)c2)CC1	ZINC000814574355	941679966	/nfs/dbraw/zinc/67/99/66/941679966.db2.gz	UYDLLAFUETWBTB-UHFFFAOYSA-N	1	0	372.469	1.770	20	30		FDEDRO
S=C(NN=C1COCCOC1)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000814726834	941709419	/nfs/dbraw/zinc/70/94/19/941709419.db2.gz	DPIBAGQKQMIVDU-UHFFFAOYSA-N	1	0	362.499	1.518	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1	ZINC000747983087	941730984	/nfs/dbraw/zinc/73/09/84/941730984.db2.gz	ATNRTVGPWWPIPB-IBGZPJMESA-N	1	0	370.497	1.769	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)Cc1ccc(Br)cc1	ZINC000815083210	941778428	/nfs/dbraw/zinc/77/84/28/941778428.db2.gz	QRYQGCGBUNPQQP-UHFFFAOYSA-N	1	0	359.289	1.824	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CCn2cc(-c3ccccc3)cn2)C[C@H]1O	ZINC001195306967	970839132	/nfs/dbraw/zinc/83/91/32/970839132.db2.gz	IOKDRCPJXVMWJN-RTBURBONSA-N	1	0	368.481	1.924	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]Cc1cnnn1-c1ccccc1	ZINC001135064752	941881708	/nfs/dbraw/zinc/88/17/08/941881708.db2.gz	LBFIQEKAKSWNRK-OALUTQOASA-N	1	0	369.469	1.844	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCCC[C@@H]1CC	ZINC001135067931	941883809	/nfs/dbraw/zinc/88/38/09/941883809.db2.gz	SITSFKLWGXJTAQ-LNLFQRSKSA-N	1	0	365.518	1.855	20	30		FDEDRO
O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1C1CCC1)NCC#Cc1ccccc1	ZINC001135102588	941905796	/nfs/dbraw/zinc/90/57/96/941905796.db2.gz	IJGDCFGTBPJADI-RBUKOAKNSA-N	1	0	353.466	1.296	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1ccccc1C	ZINC001135124584	941919293	/nfs/dbraw/zinc/91/92/93/941919293.db2.gz	UJBXBGUNRQGEQO-ZWKOTPCHSA-N	1	0	356.470	1.567	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2	ZINC000815831148	941981812	/nfs/dbraw/zinc/98/18/12/941981812.db2.gz	ZVZOYJWATCQZIE-HXUWFJFHSA-N	1	0	355.438	1.581	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1	ZINC000815860469	941996153	/nfs/dbraw/zinc/99/61/53/941996153.db2.gz	MOGMOYWUBNXOKI-UHFFFAOYSA-N	1	0	356.426	1.355	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(NC(C)=O)c(Cl)c1	ZINC000815860387	941996406	/nfs/dbraw/zinc/99/64/06/941996406.db2.gz	IXPSOGPJZKRBIL-UHFFFAOYSA-N	1	0	364.833	1.308	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)cc(C(=O)OC)c1	ZINC000815861441	941996914	/nfs/dbraw/zinc/99/69/14/941996914.db2.gz	IXDMSPZSNRRZKR-UHFFFAOYSA-N	1	0	365.817	1.136	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cn[nH]n2)C1	ZINC001086740615	942180814	/nfs/dbraw/zinc/18/08/14/942180814.db2.gz	HLYVPCNJJNJRBE-DZGCQCFKSA-N	1	0	354.414	1.373	20	30		FDEDRO
C[C@@H](C#N)C[N@H+](C)C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1	ZINC000816492948	942222649	/nfs/dbraw/zinc/22/26/49/942222649.db2.gz	KAMGDJDHAXGTTL-GJZGRUSLSA-N	1	0	352.479	1.841	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C(N)=O)o3)C2)cc1	ZINC001086752448	942283448	/nfs/dbraw/zinc/28/34/48/942283448.db2.gz	MSDKEPQGSCLAMH-JKSUJKDBSA-N	1	0	366.421	1.938	20	30		FDEDRO
C#CC[C@]1(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)CCCN1C(=O)OC(C)(C)C	ZINC000816950107	942397640	/nfs/dbraw/zinc/39/76/40/942397640.db2.gz	LXLMAOLEPWLPCE-GQIGUUNPSA-N	1	0	361.486	1.942	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H]3CCN(CC)C3=O)C2)cc1	ZINC001086773737	942461643	/nfs/dbraw/zinc/46/16/43/942461643.db2.gz	CRRMVAOLGDCPRF-QXAKKESOSA-N	1	0	353.466	1.777	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCNC3=O)C2)cc1C#N	ZINC001086776335	942472342	/nfs/dbraw/zinc/47/23/42/942472342.db2.gz	CDDJXUMYGSIRAK-UAGQMJEPSA-N	1	0	370.453	1.077	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cccnc3C)C2)C1=O	ZINC001086790466	942501132	/nfs/dbraw/zinc/50/11/32/942501132.db2.gz	PXJOPMKYDCMHNW-LZLYRXPVSA-N	1	0	356.470	1.665	20	30		FDEDRO
C#C[C@H](NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)C1CCOCC1	ZINC000856100098	970910011	/nfs/dbraw/zinc/91/00/11/970910011.db2.gz	KWKXVXJEFSOMTJ-FQEVSTJZSA-N	1	0	361.530	1.727	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H]3CCN(CC)C3=O)C2)c1	ZINC001086799014	942626077	/nfs/dbraw/zinc/62/60/77/942626077.db2.gz	TWAAKLHHAYZXHP-CGTJXYLNSA-N	1	0	354.454	1.172	20	30		FDEDRO
C#CCNC(=O)CC[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@H]1C	ZINC000817292245	942661130	/nfs/dbraw/zinc/66/11/30/942661130.db2.gz	KJWAOTUZEZDZTL-XHSDSOJGSA-N	1	0	351.491	1.997	20	30		FDEDRO
C#C[C@H](NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)C1CCOCC1	ZINC000856120483	970924552	/nfs/dbraw/zinc/92/45/52/970924552.db2.gz	QDXDJKIBFIJKLM-HOTGVXAUSA-N	1	0	367.490	1.376	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCO[C@H]1C(C)C	ZINC001170871670	942809502	/nfs/dbraw/zinc/80/95/02/942809502.db2.gz	QOHYGXOHEFITDV-AOIWGVFYSA-N	1	0	365.518	1.452	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)NC2CCC([NH+](C)C)CC2)c1	ZINC000817659635	942866270	/nfs/dbraw/zinc/86/62/70/942866270.db2.gz	WMHCTRHCSMFSFG-UHFFFAOYSA-N	1	0	363.483	1.201	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[NH2+]CC2(C)C)ccc1F	ZINC000818524692	943262783	/nfs/dbraw/zinc/26/27/83/943262783.db2.gz	QDQGBTJDHCUQDD-UHFFFAOYSA-N	1	0	355.435	1.114	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccc(Cl)c1	ZINC000818611848	943302267	/nfs/dbraw/zinc/30/22/67/943302267.db2.gz	FLUHIWSKJZNFOZ-WMZOPIPTSA-N	1	0	361.873	1.931	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1O	ZINC000818615573	943302867	/nfs/dbraw/zinc/30/28/67/943302867.db2.gz	QYONATKMURDCJL-UHFFFAOYSA-N	1	0	370.409	1.626	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F	ZINC000818964235	943345424	/nfs/dbraw/zinc/34/54/24/943345424.db2.gz	OSQPGHATCIJZNX-UHFFFAOYSA-N	1	0	369.387	1.771	20	30		FDEDRO
CCCS(=O)(=O)N1CCC([NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1	ZINC000818957679	943364738	/nfs/dbraw/zinc/36/47/38/943364738.db2.gz	YQJZKZMFDNCHSQ-QGZVFWFLSA-N	1	0	351.472	1.385	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]CCC(=O)Nc1ccc(Br)cc1C	ZINC000818998684	943377766	/nfs/dbraw/zinc/37/77/66/943377766.db2.gz	KBBHLEFSRJPVNQ-UHFFFAOYSA-N	1	0	366.259	1.815	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1	ZINC000818973384	943388621	/nfs/dbraw/zinc/38/86/21/943388621.db2.gz	OUOBZLBWNAAHQM-FQEVSTJZSA-N	1	0	367.449	1.924	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnc(C)cn3)C2)nn1	ZINC001086823551	943389594	/nfs/dbraw/zinc/38/95/94/943389594.db2.gz	KGFHQAJUAGIRSW-LSDHHAIUSA-N	1	0	355.446	1.251	20	30		FDEDRO
N#Cc1cccnc1NCC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000818975752	943390353	/nfs/dbraw/zinc/39/03/53/943390353.db2.gz	MPBHHRVFMJKOPA-AWEZNQCLSA-N	1	0	357.370	1.303	20	30		FDEDRO
C#CCSCC[NH2+]C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1	ZINC000819095512	943417689	/nfs/dbraw/zinc/41/76/89/943417689.db2.gz	HDQDEUZBLDUDHL-GOSISDBHSA-N	1	0	363.527	1.134	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC[C@H]3CCCO3)C2)nn1	ZINC001086825023	943437695	/nfs/dbraw/zinc/43/76/95/943437695.db2.gz	MRNPTUOHNOIZDC-GVDBMIGSSA-N	1	0	361.490	1.911	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H]2COC3(CCCC3)O2)cc1	ZINC000819204274	943474934	/nfs/dbraw/zinc/47/49/34/943474934.db2.gz	AZGUZXGXUNXAEH-HNNXBMFYSA-N	1	0	350.440	1.607	20	30		FDEDRO
C[C@H]1CN(CCNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CCO1	ZINC000819211115	943487730	/nfs/dbraw/zinc/48/77/30/943487730.db2.gz	SLGGFOJSMHPVKP-GJZGRUSLSA-N	1	0	368.478	1.410	20	30		FDEDRO
COc1ccc(C2=NO[C@@H](C[NH2+]C[C@H](O)CN(C)CCC#N)C2)cc1F	ZINC000819294551	943507183	/nfs/dbraw/zinc/50/71/83/943507183.db2.gz	ZJQPNYYHSBBAAV-LSDHHAIUSA-N	1	0	364.421	1.123	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H]([NH2+]C[C@H](O)c3ccc(F)cn3)C2=O)cc1	ZINC000819259884	943514706	/nfs/dbraw/zinc/51/47/06/943514706.db2.gz	MPRPAUKBQRRUKF-ROUUACIJSA-N	1	0	354.385	1.516	20	30		FDEDRO
C#CCOc1ccc(C[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)cc1	ZINC000819351001	943537519	/nfs/dbraw/zinc/53/75/19/943537519.db2.gz	XOAIPAUYIUVMNY-LJQANCHMSA-N	1	0	359.447	1.925	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccnc(C)c3)C2)C1=O	ZINC001086832882	943946802	/nfs/dbraw/zinc/94/68/02/943946802.db2.gz	NVJGYBCHOONGNC-JQHSSLGASA-N	1	0	356.470	1.665	20	30		FDEDRO
C#C[C@H](NC(=O)NCC[N@H+](CC)CCO)c1ccc(Br)cc1	ZINC000820618116	944122106	/nfs/dbraw/zinc/12/21/06/944122106.db2.gz	XFEKWEWPZJOQPQ-HNNXBMFYSA-N	1	0	368.275	1.737	20	30		FDEDRO
C#C[C@H](CCC)NC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1	ZINC000820640948	944135798	/nfs/dbraw/zinc/13/57/98/944135798.db2.gz	RUXTXMPNOZEMGM-QGZVFWFLSA-N	1	0	364.534	1.914	20	30		FDEDRO
CON=C(C(=O)NC1CC[NH+](C2CCCC2)CC1)c1csc(N)n1	ZINC000820608080	944143747	/nfs/dbraw/zinc/14/37/47/944143747.db2.gz	AYZUDJIBLHPKBT-UHFFFAOYSA-N	1	0	351.476	1.599	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C(N)=O)c[nH]3)C2)c1	ZINC001086839058	944231005	/nfs/dbraw/zinc/23/10/05/944231005.db2.gz	JKHFDWMDLFJHBH-DOTOQJQBSA-N	1	0	365.437	1.674	20	30		FDEDRO
CON=C(C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1csc(N)n1	ZINC000821124630	944346675	/nfs/dbraw/zinc/34/66/75/944346675.db2.gz	BCRWTSNVNGEENE-SMDDNHRTSA-N	1	0	363.487	1.551	20	30		FDEDRO
COC(=O)c1ccc(C(=N)Nc2nc(C)cc(OC3CC[NH2+]CC3)n2)cc1	ZINC001170980848	944897513	/nfs/dbraw/zinc/89/75/13/944897513.db2.gz	DBSVUSHCIUHLCA-UHFFFAOYSA-N	1	0	369.425	1.739	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2([NH+](C)C)CCC2)s1	ZINC000822291108	944928965	/nfs/dbraw/zinc/92/89/65/944928965.db2.gz	JVMXUWHLACKGFG-UHFFFAOYSA-N	1	0	371.528	1.355	20	30		FDEDRO
COC(=O)c1ccc(C(=N)Nc2ccc(O[C@H]3CCC[NH2+]C3)nn2)cc1	ZINC001170988610	945033283	/nfs/dbraw/zinc/03/32/83/945033283.db2.gz	UIMCMUVHIJJQJZ-AWEZNQCLSA-N	1	0	355.398	1.431	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1	ZINC000823311036	945627150	/nfs/dbraw/zinc/62/71/50/945627150.db2.gz	WRWQMUFWQVLIDR-QGZVFWFLSA-N	1	0	363.502	1.256	20	30		FDEDRO
Cc1cc(N2C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)C2)c(C#N)cn1	ZINC001090710837	945934845	/nfs/dbraw/zinc/93/48/45/945934845.db2.gz	BQFZNJGRQHLNSJ-IIDMSEBBSA-N	1	0	371.485	1.171	20	30		FDEDRO
CC[NH+](CC)[C@H](C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1C)C(C)C	ZINC001090752733	946260905	/nfs/dbraw/zinc/26/09/05/946260905.db2.gz	BOMQCGVZOXDIQD-OIISXLGYSA-N	1	0	358.490	1.656	20	30		FDEDRO
CC[NH+](CC)[C@H](C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C)C(C)C	ZINC001090752869	946263581	/nfs/dbraw/zinc/26/35/81/946263581.db2.gz	JGPIRXGOZGQCLI-KYJSFNMBSA-N	1	0	358.490	1.656	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)C2	ZINC001110107832	946293500	/nfs/dbraw/zinc/29/35/00/946293500.db2.gz	WWALUJYTWGXPGU-UGUYLWEFSA-N	1	0	355.504	1.146	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21	ZINC000824667882	946663179	/nfs/dbraw/zinc/66/31/79/946663179.db2.gz	JQJYSFIJNGCKAW-IJEWVQPXSA-N	1	0	356.426	1.469	20	30		FDEDRO
C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001573283552	946720403	/nfs/dbraw/zinc/72/04/03/946720403.db2.gz	VAFRRZBHMQJZIZ-SJORKVTESA-N	1	0	367.457	1.677	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CC1	ZINC000824790393	946801536	/nfs/dbraw/zinc/80/15/36/946801536.db2.gz	WQPUJDIUMLAOQE-HXUWFJFHSA-N	1	0	367.493	1.854	20	30		FDEDRO
C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cccc(-c2nn[nH]n2)c1	ZINC000824598794	946848158	/nfs/dbraw/zinc/84/81/58/946848158.db2.gz	IWEJAAAWHRPOAT-WYFZMLARSA-N	1	0	353.386	1.044	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)CC(C)(C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1	ZINC001573560685	946956268	/nfs/dbraw/zinc/95/62/68/946956268.db2.gz	FKWIHWAZZIMWFS-GFCCVEGCSA-N	1	0	373.436	1.740	20	30		FDEDRO
C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1	ZINC001573293829	946969470	/nfs/dbraw/zinc/96/94/70/946969470.db2.gz	KXVLZZHNAWPBNC-CYBMUJFWSA-N	1	0	357.462	1.991	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CC1	ZINC001573562627	946977054	/nfs/dbraw/zinc/97/70/54/946977054.db2.gz	VGQTVNUDCJXSLJ-BZNIZROVSA-N	1	0	371.420	1.492	20	30		FDEDRO
C=C(C)CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1	ZINC001573294150	946980997	/nfs/dbraw/zinc/98/09/97/946980997.db2.gz	WLJJHHYEGPSEHY-SFHVURJKSA-N	1	0	371.445	1.078	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1CC	ZINC001573294654	946995470	/nfs/dbraw/zinc/99/54/70/946995470.db2.gz	FKIIPYMOXASAIJ-WCQYABFASA-N	1	0	363.853	1.778	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)C#Cc3cccs3)cn2)CC1	ZINC000825183406	947009715	/nfs/dbraw/zinc/00/97/15/947009715.db2.gz	MSSYTOGBZFFZFM-UHFFFAOYSA-N	1	0	354.479	1.953	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573565723	947014296	/nfs/dbraw/zinc/01/42/96/947014296.db2.gz	UXTYKIFOGCJOLI-ZIAGYGMSSA-N	1	0	353.430	1.307	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573566918	947034185	/nfs/dbraw/zinc/03/41/85/947034185.db2.gz	HPLCNRQWRVANOI-WMLDXEAASA-N	1	0	367.457	1.839	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573296098	947038975	/nfs/dbraw/zinc/03/89/75/947038975.db2.gz	ZEDQKBXSQIBEGE-FZMZJTMJSA-N	1	0	363.853	1.920	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573570472	947088231	/nfs/dbraw/zinc/08/82/31/947088231.db2.gz	PVLXDZYUBJHGTJ-FIXISWKDSA-N	1	0	357.393	1.102	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[NH2+]C2(C)C)ccc1F	ZINC000825256881	947092770	/nfs/dbraw/zinc/09/27/70/947092770.db2.gz	KSCFDPJMYGRGEM-CQSZACIVSA-N	1	0	355.435	1.160	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1	ZINC001573571751	947102080	/nfs/dbraw/zinc/10/20/80/947102080.db2.gz	ALXHHRKTCNQKTG-WFASDCNBSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1CC12CC[NH+](Cc1cccc(-c3nn[nH]n3)c1)CC2	ZINC001573571739	947102714	/nfs/dbraw/zinc/10/27/14/947102714.db2.gz	AKSKOVPTSTUOIT-XJKSGUPXSA-N	1	0	365.441	1.497	20	30		FDEDRO
C[C@H](C#N)C(=O)NC1CCC([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1	ZINC001573571779	947104991	/nfs/dbraw/zinc/10/49/91/947104991.db2.gz	ATRQYXUZUXSPEW-VCANKDNSSA-N	1	0	371.420	1.682	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1ccc(-c3nn[nH]n3)s1)CC2	ZINC001573573952	947126750	/nfs/dbraw/zinc/12/67/50/947126750.db2.gz	PXCQIRJQPLNUCK-WHCBVINPSA-N	1	0	371.470	1.701	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1	ZINC001573574441	947130879	/nfs/dbraw/zinc/13/08/79/947130879.db2.gz	RSYGTPVLXJVSNR-SWLSCSKDSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C	ZINC001573576128	947148287	/nfs/dbraw/zinc/14/82/87/947148287.db2.gz	CYQOEXVAPVRWFE-RISCZKNCSA-N	1	0	354.418	1.142	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001573305853	947163980	/nfs/dbraw/zinc/16/39/80/947163980.db2.gz	GSVWUHFQXAOBID-KDOFPFPSSA-N	1	0	358.446	1.036	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1C	ZINC001573582869	947196337	/nfs/dbraw/zinc/19/63/37/947196337.db2.gz	HTLATDFWBUJOIC-YWPYICTPSA-N	1	0	371.420	1.350	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1	ZINC001573583594	947204523	/nfs/dbraw/zinc/20/45/23/947204523.db2.gz	NDNDHISNDVLNEI-ZDUSSCGKSA-N	1	0	353.430	1.355	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573310675	947227090	/nfs/dbraw/zinc/22/70/90/947227090.db2.gz	ZEKVQQLEUOCBTM-BEFAXECRSA-N	1	0	370.457	1.227	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573310839	947227166	/nfs/dbraw/zinc/22/71/66/947227166.db2.gz	ZVOGIRBHLCAWCF-FRIZHTMISA-N	1	0	370.457	1.178	20	30		FDEDRO
C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@@H+](Cc1ccc(OC)nc1)C2	ZINC001137033293	947232711	/nfs/dbraw/zinc/23/27/11/947232711.db2.gz	YCPDRNLERMRCCQ-FQEVSTJZSA-N	1	0	358.486	1.773	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573586615	947291028	/nfs/dbraw/zinc/29/10/28/947291028.db2.gz	RXDRWXSYNIZGCE-MJVIPROJSA-N	1	0	357.393	1.150	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)n2cncn2)C[C@H]1c1ccc(OC)cc1	ZINC001090869368	947384061	/nfs/dbraw/zinc/38/40/61/947384061.db2.gz	VSBGZANTHGORPO-FHLIZLRMSA-N	1	0	355.442	1.618	20	30		FDEDRO
C=C[C@@H]1C[C@]1(NC(=O)[C@H]1[C@H](O)CCN1Cc1ccccc1)C(=O)OCC	ZINC001143676304	947453350	/nfs/dbraw/zinc/45/33/50/947453350.db2.gz	MZUDTXMSFLEGMQ-WOCWXWTJSA-N	1	0	358.438	1.246	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1OC	ZINC001573334471	947456299	/nfs/dbraw/zinc/45/62/99/947456299.db2.gz	DJZVRBSJUNUEFG-IAGOWNOFSA-N	1	0	370.457	1.538	20	30		FDEDRO
C=CCCC[NH+]1CCC([C@@H](C)NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1	ZINC001573335470	947478933	/nfs/dbraw/zinc/47/89/33/947478933.db2.gz	OUIAEGUTZPMYSC-CYBMUJFWSA-N	1	0	357.462	1.991	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1c1ccc(OC)cc1	ZINC001090875550	947492973	/nfs/dbraw/zinc/49/29/73/947492973.db2.gz	ZUTPWEBCZLNCFI-BPQIPLTHSA-N	1	0	357.454	1.291	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2CC)C[C@H]1c1ccc(OC)cc1	ZINC001090874216	947523439	/nfs/dbraw/zinc/52/34/39/947523439.db2.gz	GJUIVQLKIUSAEA-FXAWDEMLSA-N	1	0	366.465	1.822	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNc1cnc(-c2nn[nH]n2)c(C#N)n1)C(C)C	ZINC001573342328	947541117	/nfs/dbraw/zinc/54/11/17/947541117.db2.gz	WOSBXPICJXBSPW-AWEZNQCLSA-N	1	0	353.434	1.639	20	30		FDEDRO
C=CCOCC(=O)N[C@@H](C)C1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573342788	947547739	/nfs/dbraw/zinc/54/77/39/947547739.db2.gz	DIZQYUYOXMFDJO-LBPRGKRZSA-N	1	0	374.420	1.145	20	30		FDEDRO
C=CCOCC(=O)N[C@]1(C)CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1	ZINC001573344193	947569111	/nfs/dbraw/zinc/56/91/11/947569111.db2.gz	YVEYRWLBKIFZCT-MRXNPFEDSA-N	1	0	362.459	1.211	20	30		FDEDRO
C=CCOCC[NH2+]C1CCC(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1	ZINC001573348491	947583781	/nfs/dbraw/zinc/58/37/81/947583781.db2.gz	RBUOYWDUQITCPR-UHFFFAOYSA-N	1	0	359.434	1.028	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1	ZINC001573350536	947598359	/nfs/dbraw/zinc/59/83/59/947598359.db2.gz	FLEHGKYYNKFTHR-XKQJLSEDSA-N	1	0	370.457	1.300	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573350763	947603165	/nfs/dbraw/zinc/60/31/65/947603165.db2.gz	GCUUEIMUWAHLFV-WQVCFCJDSA-N	1	0	356.430	1.052	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC(=O)N2C)C[C@H]1c1ccc(OC)cc1	ZINC001090884571	947645715	/nfs/dbraw/zinc/64/57/15/947645715.db2.gz	WFZQVUPVGRSOCL-OTWHNJEPSA-N	1	0	369.465	1.223	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CC(C)(F)F)C1	ZINC001196037296	971416078	/nfs/dbraw/zinc/41/60/78/971416078.db2.gz	HSAAQISFVLUQAE-MGPQQGTHSA-N	1	0	361.433	1.006	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2nn(CC)nc2C)C[C@H]1c1ccc(OC)cc1	ZINC001090888370	947707036	/nfs/dbraw/zinc/70/70/36/947707036.db2.gz	LRLOAVWFQVUMNM-ZWKOTPCHSA-N	1	0	369.469	1.999	20	30		FDEDRO
C[N@H+](C[C@H](O)c1cccc(C#N)c1)C[C@@H]1CCCN(S(C)(=O)=O)C1	ZINC000844368399	948018564	/nfs/dbraw/zinc/01/85/64/948018564.db2.gz	DULHLYMPDODQIV-RDJZCZTQSA-N	1	0	351.472	1.195	20	30		FDEDRO
CO[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@H]1NC(=O)[C@H](C)Cc1c[nH]cn1	ZINC001090946923	948078255	/nfs/dbraw/zinc/07/82/55/948078255.db2.gz	VGIJDTJXMUUXDF-CSMYWGQOSA-N	1	0	368.441	1.183	20	30		FDEDRO
CO[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C	ZINC001090949414	948085828	/nfs/dbraw/zinc/08/58/28/948085828.db2.gz	NUSUHQURHJBWHU-BRWVUGGUSA-N	1	0	357.458	1.147	20	30		FDEDRO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3Cc2cncc(C#N)c2)CC1	ZINC001144080606	948201201	/nfs/dbraw/zinc/20/12/01/948201201.db2.gz	RZRGVLZALWKLJW-WOJBJXKFSA-N	1	0	367.497	1.860	20	30		FDEDRO
CC[NH+]1CCN(CCCCNC(=O)C(=O)/C=C/c2ccc(F)cc2)CC1	ZINC001144198060	948365421	/nfs/dbraw/zinc/36/54/21/948365421.db2.gz	SPIIUPGHQJKLLU-JXMROGBWSA-N	1	0	361.461	1.942	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1Nc1cncc(C#N)n1	ZINC001091011528	948438563	/nfs/dbraw/zinc/43/85/63/948438563.db2.gz	HUDJECMNAADTPI-GDBMZVCRSA-N	1	0	356.474	1.872	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C	ZINC000775686598	971482224	/nfs/dbraw/zinc/48/22/24/971482224.db2.gz	HVDSMDVKCPDWQF-UONOGXRCSA-N	1	0	368.478	1.671	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1	ZINC000844970691	948546435	/nfs/dbraw/zinc/54/64/35/948546435.db2.gz	RCPPWZYDFCKLGD-QZTJIDSGSA-N	1	0	360.458	1.344	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC([NH2+]Cc2nn(CC)nc2C)C1	ZINC001091034635	948559520	/nfs/dbraw/zinc/55/95/20/948559520.db2.gz	QCINWNBDWPHULU-IOTAOYMUSA-N	1	0	361.490	1.572	20	30		FDEDRO
CC(C)c1nnnn1CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000845002187	948582659	/nfs/dbraw/zinc/58/26/59/948582659.db2.gz	HGKJPHPAWYXURL-UHFFFAOYSA-N	1	0	367.457	1.449	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C1CC(CNC(=O)[C@]23C[C@H]2COC3)C1	ZINC001091038045	948600824	/nfs/dbraw/zinc/60/08/24/948600824.db2.gz	AISTVAOCXMBUGU-VQEPCJJFSA-N	1	0	355.438	1.588	20	30		FDEDRO
CC[C@@H](C(=O)N1CCO[C@@H]2CN(c3ncccc3C#N)C[C@@H]21)[NH+](CC)CC	ZINC001091058215	948765209	/nfs/dbraw/zinc/76/52/09/948765209.db2.gz	HTFSTGRLJAPDCL-OKZBNKHCSA-N	1	0	371.485	1.490	20	30		FDEDRO
CC[C@H](C(=O)N1CCO[C@@H]2CN(c3ccncc3C#N)C[C@@H]21)[NH+](CC)CC	ZINC001091058714	948778965	/nfs/dbraw/zinc/77/89/65/948778965.db2.gz	RNTUOLNYMGHHGO-NZSAHSFTSA-N	1	0	371.485	1.490	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c(C)ncc3C2)C1	ZINC001196168495	971517651	/nfs/dbraw/zinc/51/76/51/971517651.db2.gz	KYTHRNXNTYUZIV-QXAKKESOSA-N	1	0	360.502	1.662	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)nc3cc(C)nn31)C2	ZINC001110112556	948950453	/nfs/dbraw/zinc/95/04/53/948950453.db2.gz	GMVNECNSVKDGDC-IKGGRYGDSA-N	1	0	369.469	1.884	20	30		FDEDRO
CC(=O)N[C@@H](CS)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1	ZINC001144406861	948981679	/nfs/dbraw/zinc/98/16/79/948981679.db2.gz	VUNPDWOSHDPLEK-RDBSUJKOSA-N	1	0	368.528	1.000	20	30		FDEDRO
CCON(C)C(=O)CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000845557283	949506256	/nfs/dbraw/zinc/50/62/56/949506256.db2.gz	YSCDRHHTRAATOR-UHFFFAOYSA-N	1	0	373.457	1.232	20	30		FDEDRO
C#CCC[C@H](O)CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000845745166	949876895	/nfs/dbraw/zinc/87/68/95/949876895.db2.gz	PWGXYXYIYZCBNI-IBGZPJMESA-N	1	0	354.454	1.596	20	30		FDEDRO
C#Cc1ccc(C[N@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)cc1	ZINC001144571864	949952971	/nfs/dbraw/zinc/95/29/71/949952971.db2.gz	LHCGTSXOSFVLML-NJYVYQBISA-N	1	0	368.477	1.611	20	30		FDEDRO
C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1ccc(C#N)cc1F	ZINC001574982551	950170658	/nfs/dbraw/zinc/17/06/58/950170658.db2.gz	DDZOUAJWCGWIGH-JTQLQIEISA-N	1	0	368.376	1.114	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1	ZINC000846329371	950868660	/nfs/dbraw/zinc/86/86/60/950868660.db2.gz	GXNFLKVGHZCIKM-FHWLQOOXSA-N	1	0	369.465	1.029	20	30		FDEDRO
C[C@@H]1CCO[C@@H]1C(=O)NCC1CC([NH2+]Cc2ccc(OCC#N)cc2)C1	ZINC001091237088	951185215	/nfs/dbraw/zinc/18/52/15/951185215.db2.gz	LZJDPTRFWBHZTP-MRTGAJDVSA-N	1	0	357.454	1.998	20	30		FDEDRO
C=C[C@@H](C)ONC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C	ZINC000846546256	951259554	/nfs/dbraw/zinc/25/95/54/951259554.db2.gz	AVNPNCCECVFCCT-CQSZACIVSA-N	1	0	369.487	1.461	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2ccccc2Cl)C1	ZINC001196518882	971729804	/nfs/dbraw/zinc/72/98/04/971729804.db2.gz	FSVHINQYRRJFCF-BMGDILEWSA-N	1	0	366.889	1.883	20	30		FDEDRO
CC(=O)N1CC2(C1)C[N@H+]([C@H](C)Cc1cccc(C#N)c1)C[C@@H]2C(=O)N(C)C	ZINC001171231456	951270479	/nfs/dbraw/zinc/27/04/79/951270479.db2.gz	JYMBEFXJMIZGRB-DNVCBOLYSA-N	1	0	368.481	1.358	20	30		FDEDRO
Cc1cc(C#N)nc(N[C@@H]2CCCC[C@H]2NC(=O)C2(C[NH+](C)C)CC2)n1	ZINC001091289957	951328099	/nfs/dbraw/zinc/32/80/99/951328099.db2.gz	PRVKPEQCSNJJIP-HZPDHXFCSA-N	1	0	356.474	1.838	20	30		FDEDRO
C[NH+](C)C1(CC(=O)N[C@@H]2CCCC[C@H]2Nc2ccnc(C#N)n2)CCCC1	ZINC001091286618	951367001	/nfs/dbraw/zinc/36/70/01/951367001.db2.gz	OYHOPIPKMIKHML-HZPDHXFCSA-N	1	0	370.501	1.874	20	30		FDEDRO
O=C(CC[C@@H]1CCCCO1)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O	ZINC001196534294	971754680	/nfs/dbraw/zinc/75/46/80/971754680.db2.gz	CFCQFPZUXYAGEG-XUVXKRRUSA-N	1	0	356.466	1.549	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@H]3OCC[C@H]3CC)c2)C1	ZINC001091399999	951570928	/nfs/dbraw/zinc/57/09/28/951570928.db2.gz	FTISFQGDNFHRSY-LZQZEXGQSA-N	1	0	357.454	1.599	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@H]3OCC[C@H]3CC)c2)C1	ZINC001091400001	951571249	/nfs/dbraw/zinc/57/12/49/951571249.db2.gz	FTISFQGDNFHRSY-MNEFBYGVSA-N	1	0	357.454	1.599	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@H]3OCC[C@H]3CC)c2)C1	ZINC001091400598	951572781	/nfs/dbraw/zinc/57/27/81/951572781.db2.gz	LUISNHFFALFEMC-UXPWSPDFSA-N	1	0	371.481	1.989	20	30		FDEDRO
C#C[C@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)C1	ZINC000847024776	951776926	/nfs/dbraw/zinc/77/69/26/951776926.db2.gz	SLAIFQCVNQMXCN-KRWDZBQOSA-N	1	0	354.454	1.708	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cccs4)C[C@]3(C)C2)C1=O	ZINC001091449232	951813436	/nfs/dbraw/zinc/81/34/36/951813436.db2.gz	HDWRUMFVGDDMPJ-CLCXKQKWSA-N	1	0	359.495	1.929	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)CCc4ccco4)C[C@]3(C)C2)C1=O	ZINC001091478732	951860739	/nfs/dbraw/zinc/86/07/39/951860739.db2.gz	OEIXIUIKDUDRJH-BLIXFSHQSA-N	1	0	371.481	1.779	20	30		FDEDRO
C[C@@H](CNC(=O)C#CC(C)(C)C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1	ZINC001575103990	951880298	/nfs/dbraw/zinc/88/02/98/951880298.db2.gz	AFWFMLMGJMTERI-CQSZACIVSA-N	1	0	354.458	1.758	20	30		FDEDRO
C[C@@H](C[NH2+]Cc1cccc(C#N)c1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001575114286	951954132	/nfs/dbraw/zinc/95/41/32/951954132.db2.gz	OOTPUJXXLTXDOA-LBPRGKRZSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[C@H](CNC(=O)C#CC(C)(C)C)C[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001575115154	951962916	/nfs/dbraw/zinc/96/29/16/951962916.db2.gz	VCTDOQQWUQMASR-AWEZNQCLSA-N	1	0	354.458	1.758	20	30		FDEDRO
CNC(=O)c1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@]3(C)C2)cc1	ZINC001091544649	951983820	/nfs/dbraw/zinc/98/38/20/951983820.db2.gz	DTMWMJHBRSBYKC-NQYLQCIDSA-N	1	0	354.454	1.486	20	30		FDEDRO
C[C@]12CN(C(=O)Cc3cc[nH]n3)C[C@H]1C[N@H+](CC#Cc1ccc(F)cc1)C2	ZINC001091559841	952063730	/nfs/dbraw/zinc/06/37/30/952063730.db2.gz	AHYOYIWZLGVDKD-UTKZUKDTSA-N	1	0	366.440	1.923	20	30		FDEDRO
COCCn1cc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)ncc1=O	ZINC001171278219	952099654	/nfs/dbraw/zinc/09/96/54/952099654.db2.gz	ZKMAOAVOPGECGH-UHFFFAOYSA-N	1	0	367.453	1.860	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[C@@H](Nc2ncccc2C#N)C1	ZINC001091578403	952133964	/nfs/dbraw/zinc/13/39/64/952133964.db2.gz	AQVBHSWNFANLHF-XYJFISCASA-N	1	0	371.485	1.618	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCO)cc1	ZINC001110725310	971807312	/nfs/dbraw/zinc/80/73/12/971807312.db2.gz	UDKRKRPRNNKXJA-QRQLOZEOSA-N	1	0	360.454	1.595	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2F)CC1	ZINC001571085710	952198637	/nfs/dbraw/zinc/19/86/37/952198637.db2.gz	UQTSZCQFBKASHJ-LBPRGKRZSA-N	1	0	371.420	1.588	20	30		FDEDRO
N#Cc1cnccc1N[C@@H]1CC[C@H](CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1	ZINC001091620841	952336872	/nfs/dbraw/zinc/33/68/72/952336872.db2.gz	GGWUBKBEIZGBMW-QKYXUNIQSA-N	1	0	367.497	1.946	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ccnn4CC)C[C@]3(C)C2)C1=O	ZINC001091621992	952342558	/nfs/dbraw/zinc/34/25/58/952342558.db2.gz	NENGRXYMLPFBCQ-QINHECLXSA-N	1	0	371.485	1.084	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)C(=O)NCCC)C2	ZINC001147583089	952443025	/nfs/dbraw/zinc/44/30/25/952443025.db2.gz	KRHDUXYCXSJTOL-BBWFWOEESA-N	1	0	363.502	1.417	20	30		FDEDRO
Cn1cc(C(=O)N2C[C@H]3C[N@H+](Cc4ccc(F)c(C#N)c4)C[C@@]3(C)C2)nn1	ZINC001091645596	952475379	/nfs/dbraw/zinc/47/53/79/952475379.db2.gz	OWLBGQPFIBEBTK-BEFAXECRSA-N	1	0	368.416	1.420	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNc1snc(C)c1C#N	ZINC001091672615	952589106	/nfs/dbraw/zinc/58/91/06/952589106.db2.gz	OWHALEDKNQOBAN-UKRRQHHQSA-N	1	0	365.503	1.550	20	30		FDEDRO
C[C@]12CN(C(=O)Cn3nccn3)C[C@H]1C[N@H+](CC#Cc1ccc(F)cc1)C2	ZINC001091703670	952676385	/nfs/dbraw/zinc/67/63/85/952676385.db2.gz	LVCQNYIWAXMLIZ-XLIONFOSSA-N	1	0	367.428	1.249	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3ccco3)C2)C1	ZINC001148321019	952686011	/nfs/dbraw/zinc/68/60/11/952686011.db2.gz	NKISIWOWZAROIM-BZUAXINKSA-N	1	0	357.454	1.608	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ccns4)C[C@]3(C)C2)C1=O	ZINC001091712500	952704310	/nfs/dbraw/zinc/70/43/10/952704310.db2.gz	TXKHIJPMWSBSEE-GLJUWKHASA-N	1	0	360.483	1.324	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)C[C@]2(C)C1	ZINC001091715360	952711698	/nfs/dbraw/zinc/71/16/98/952711698.db2.gz	YSQSGFRRFFIBGF-HLIPFELVSA-N	1	0	363.502	1.228	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)N2CCC[C@H](C)C2)C1	ZINC001196701023	971868089	/nfs/dbraw/zinc/86/80/89/971868089.db2.gz	NYXCTTXGHRMIMK-GVDBMIGSSA-N	1	0	353.507	1.377	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2C[N@H+](CCN3CCCC3=O)C[C@@]2(C)C1	ZINC001091736780	952764054	/nfs/dbraw/zinc/76/40/54/952764054.db2.gz	BQTWAZFFKAJXHQ-UTKZUKDTSA-N	1	0	370.497	1.690	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@@]2(C)C1	ZINC001091737893	952765826	/nfs/dbraw/zinc/76/58/26/952765826.db2.gz	QMJDYVSAJPUCQO-IERDGZPVSA-N	1	0	370.497	1.689	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@@]2(C)C1	ZINC001091738974	952768377	/nfs/dbraw/zinc/76/83/77/952768377.db2.gz	IJZYHTGUDLLXBT-QRWLVFNGSA-N	1	0	356.470	1.347	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cnc(C)nc3)C[C@@]2(C)C1	ZINC001091749129	952788276	/nfs/dbraw/zinc/78/82/76/952788276.db2.gz	AIRSPQDPOVVNFE-DYXWJJEUSA-N	1	0	367.497	1.163	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3conc3C)C[C@@]2(C)C1	ZINC001091748654	952794682	/nfs/dbraw/zinc/79/46/82/952794682.db2.gz	SBQZBOHEXJJVTE-HBFSDRIKSA-N	1	0	356.470	1.361	20	30		FDEDRO
CC(C)(C(N)=O)C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@@]2(C)C1	ZINC001091757702	952807830	/nfs/dbraw/zinc/80/78/30/952807830.db2.gz	UDQSNLMVAVDHEH-UZLBHIALSA-N	1	0	354.454	1.350	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@@H]3CCc4ncnn43)C2)cn1	ZINC001086857395	952875402	/nfs/dbraw/zinc/87/54/02/952875402.db2.gz	APCCITDZRPEPLI-QGTPRVQTSA-N	1	0	364.453	1.330	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cn(C)nc3C)C2)cn1	ZINC001086857759	952875916	/nfs/dbraw/zinc/87/59/16/952875916.db2.gz	USQOAZOEEPINQV-HNAYVOBHSA-N	1	0	351.454	1.793	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cn(CC)nn3)C2)cn1	ZINC001086857782	952876001	/nfs/dbraw/zinc/87/60/01/952876001.db2.gz	WCBISJLXXVQTQH-WMLDXEAASA-N	1	0	352.442	1.363	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(OC)cc3)C2)C1=O	ZINC001086860957	952882311	/nfs/dbraw/zinc/88/23/11/952882311.db2.gz	BLCTYZVGTMZFDD-WDYCEAGBSA-N	1	0	371.481	1.970	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1	ZINC001196716259	971878711	/nfs/dbraw/zinc/87/87/11/971878711.db2.gz	FBZBILNGPBEKFH-FGTMMUONSA-N	1	0	365.518	1.519	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(=O)[nH]c3)C2)C1=O	ZINC001086868642	952915565	/nfs/dbraw/zinc/91/55/65/952915565.db2.gz	RCULRYKFKYTQIB-IMJJTQAJSA-N	1	0	358.442	1.062	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1	ZINC001086876579	952928714	/nfs/dbraw/zinc/92/87/14/952928714.db2.gz	YLHUMGPMDMMIMF-SUMWQHHRSA-N	1	0	365.437	1.674	20	30		FDEDRO
CCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccc(OC)c(C#N)c2)C1	ZINC001086960182	952957035	/nfs/dbraw/zinc/95/70/35/952957035.db2.gz	KNYVNPCETGXLBS-ZWKOTPCHSA-N	1	0	367.453	1.795	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2coc(C(C)(C)C)n2)C[C@H]1c1cnn(C)c1	ZINC001086978594	952990974	/nfs/dbraw/zinc/99/09/74/952990974.db2.gz	FODCMTLDSTXXHC-LSDHHAIUSA-N	1	0	355.442	1.537	20	30		FDEDRO
Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2c2cnn(C)c2)o1	ZINC001086978858	952991274	/nfs/dbraw/zinc/99/12/74/952991274.db2.gz	VJRZUQJNWSFYGV-ZWKOTPCHSA-N	1	0	353.426	1.214	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3cc[nH]c3n2)C[C@H]1c1cnn(C)c1	ZINC001086983322	952997021	/nfs/dbraw/zinc/99/70/21/952997021.db2.gz	IINJNEQDILNPNS-DOTOQJQBSA-N	1	0	350.426	1.680	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccnc(CCC)c2)C[C@H]1c1cnn(C)c1	ZINC001086983474	952997217	/nfs/dbraw/zinc/99/72/17/952997217.db2.gz	RROYKNVOZULFHE-RBUKOAKNSA-N	1	0	351.454	1.599	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c3c[nH]nc3ccc2C)C[C@H]1c1cnn(C)c1	ZINC001086985386	953002665	/nfs/dbraw/zinc/00/26/65/953002665.db2.gz	HMSKDCZWSVWZFN-FUHWJXTLSA-N	1	0	362.437	1.436	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2onc3c2CCCC3)C[C@H]1c1cnn(C)c1	ZINC001086987191	953009161	/nfs/dbraw/zinc/00/91/61/953009161.db2.gz	DYPCNBIYJUDZHV-DOTOQJQBSA-N	1	0	355.442	1.671	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc3ccc(C)cn32)C[C@H]1c1cnn(C)c1	ZINC001086987318	953009627	/nfs/dbraw/zinc/00/96/27/953009627.db2.gz	LNKFDHCWODYKTR-DLBZAZTESA-N	1	0	362.437	1.207	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccc3c2CCOC3)C[C@H]1c1cnn(C)c1	ZINC001086987544	953010029	/nfs/dbraw/zinc/01/00/29/953010029.db2.gz	YGKBXPSZWZAXQA-VQTJNVASSA-N	1	0	366.465	1.877	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2sc(C)nc2C)C[C@H]1c1cnn(C)c1	ZINC001086988745	953012613	/nfs/dbraw/zinc/01/26/13/953012613.db2.gz	PCCDLPKZYHPXBX-JKSUJKDBSA-N	1	0	357.483	1.253	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2cnn(C)c2)C[C@H]1c1cnn(C)c1	ZINC001086989356	953014344	/nfs/dbraw/zinc/01/43/44/953014344.db2.gz	XKPGXGLSKXBRPO-AYOQOUSVSA-N	1	0	370.501	1.808	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C2(C3CC3)CCOCC2)C[C@H]1c1cnn(C)c1	ZINC001086989862	953015338	/nfs/dbraw/zinc/01/53/38/953015338.db2.gz	XPLSPMHQJPNLFE-ZWKOTPCHSA-N	1	0	356.470	1.144	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2ccc(C)n2)C[C@H]1c1cnn(C)c1	ZINC001086991218	953019581	/nfs/dbraw/zinc/01/95/81/953019581.db2.gz	QVNWXVLJTRMFLD-BPQIPLTHSA-N	1	0	356.474	1.646	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cnn(C)c2)C1	ZINC001086991106	953019652	/nfs/dbraw/zinc/01/96/52/953019652.db2.gz	KYQIEDGYHDPHKK-DLBZAZTESA-N	1	0	356.474	1.450	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cn(CC)nc2C)C[C@H]1c1cnn(C)c1	ZINC001087000448	953050573	/nfs/dbraw/zinc/05/05/73/953050573.db2.gz	WPKMJFSSDLOCPI-ZWKOTPCHSA-N	1	0	356.474	1.719	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(CCC)[nH]c(=O)c2)C[C@H]1c1cnn(C)c1	ZINC001087001100	953053826	/nfs/dbraw/zinc/05/38/26/953053826.db2.gz	CVFKDOLWJATSSL-ZWKOTPCHSA-N	1	0	369.469	1.857	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn(CC(C)C)c2)C[C@H]1c1cnn(C)c1	ZINC001087003629	953060461	/nfs/dbraw/zinc/06/04/61/953060461.db2.gz	HKGBZAKYBHQKAS-ZWKOTPCHSA-N	1	0	354.458	1.104	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)nc2OCC)C[C@H]1c1cnn(C)c1	ZINC001087003940	953060933	/nfs/dbraw/zinc/06/09/33/953060933.db2.gz	XAXRYYPOASFIOX-ZWKOTPCHSA-N	1	0	369.469	1.906	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2C2CC2)C[C@H]1c1cnn(C)c1	ZINC001087004786	953063239	/nfs/dbraw/zinc/06/32/39/953063239.db2.gz	VFQWZMDPHMYCTB-DLBZAZTESA-N	1	0	354.458	1.795	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c3cccnc32)C[C@H]1c1cnn(C)c1	ZINC001087005808	953065250	/nfs/dbraw/zinc/06/52/50/953065250.db2.gz	VMBYWEBZFQJMQD-DOTOQJQBSA-N	1	0	350.426	1.680	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2cccnc2)C[C@H]1c1cnn(C)c1	ZINC001086995421	953067458	/nfs/dbraw/zinc/06/74/58/953067458.db2.gz	BLHPXQDGOSUIJA-JCGIZDLHSA-N	1	0	355.442	1.353	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c(C)n(C)nc2Cl)C[C@H]1c1cnn(C)c1	ZINC001087007474	953093011	/nfs/dbraw/zinc/09/30/11/953093011.db2.gz	FORCZCHAHWQZRQ-UONOGXRCSA-N	1	0	362.865	1.499	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cncnc2C2CC2)C[C@H]1c1cnn(C)c1	ZINC001087007501	953093412	/nfs/dbraw/zinc/09/34/12/953093412.db2.gz	GZXKMQOTCJXXLR-ZWKOTPCHSA-N	1	0	366.469	1.861	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn3c(cccc3C)n2)C[C@H]1c1cnn(C)c1	ZINC001087009213	953097292	/nfs/dbraw/zinc/09/72/92/953097292.db2.gz	VVANUXBTABCCFU-DLBZAZTESA-N	1	0	362.437	1.207	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2nc(C)cc2C)C[C@H]1c1cnn(C)c1	ZINC001087009626	953098549	/nfs/dbraw/zinc/09/85/49/953098549.db2.gz	QAHSQVIZCDSPQH-NZSAHSFTSA-N	1	0	368.485	1.402	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(CC)n(C)n2)C[C@H]1c1cnn(C)c1	ZINC001087012216	953106526	/nfs/dbraw/zinc/10/65/26/953106526.db2.gz	LUZUKZMHKWDQBS-FUHWJXTLSA-N	1	0	356.474	1.490	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C)n2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087035149	953144294	/nfs/dbraw/zinc/14/42/94/953144294.db2.gz	NNZAWIINLQYHLE-IEBWSBKVSA-N	1	0	367.453	1.857	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](O)C(C)C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087050525	953178267	/nfs/dbraw/zinc/17/82/67/953178267.db2.gz	DIYYKRMXNXXGHG-GUDVDZBRSA-N	1	0	359.470	1.528	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+][C@@H](C)c1nnc(C)s1	ZINC001087053597	953186281	/nfs/dbraw/zinc/18/62/81/953186281.db2.gz	YDFCCTSCEUGGQX-APHBMKBZSA-N	1	0	362.499	1.774	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1ccn(CC)n1	ZINC001087046223	953193591	/nfs/dbraw/zinc/19/35/91/953193591.db2.gz	SDERFHQTADOESN-RDTXWAMCSA-N	1	0	370.457	1.370	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ncccn3)[C@H](OCC)C2)cc1	ZINC001087071347	953225352	/nfs/dbraw/zinc/22/53/52/953225352.db2.gz	LFQIFFXIUWCXGY-RTBURBONSA-N	1	0	364.449	1.725	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087093673	953259654	/nfs/dbraw/zinc/25/96/54/953259654.db2.gz	XJBPATBXTVIURB-IEBWSBKVSA-N	1	0	365.437	1.615	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@]2(C)CCOC2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087094571	953261820	/nfs/dbraw/zinc/26/18/20/953261820.db2.gz	OEBIFJUDZOSEJO-SFHLNBCPSA-N	1	0	371.481	1.938	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]C[C@H]3CCCOC3)[C@H](OCC)C2)nc1	ZINC001087097340	953284418	/nfs/dbraw/zinc/28/44/18/953284418.db2.gz	KRPPEVICHQOELX-QWFCFKBJSA-N	1	0	371.481	1.556	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@]2(C)C1	ZINC001091793773	953317809	/nfs/dbraw/zinc/31/78/09/953317809.db2.gz	MFBYAMFLCHXHQD-KUDFPVQQSA-N	1	0	369.465	1.534	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc(=O)n(CCOC)c3)C[C@]2(C)C1	ZINC001091816091	953466661	/nfs/dbraw/zinc/46/66/61/953466661.db2.gz	YQEXGUQEVIKPSZ-XLIONFOSSA-N	1	0	359.470	1.465	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(S(N)(=O)=O)o3)C[C@]2(C)C1	ZINC001091819273	953474139	/nfs/dbraw/zinc/47/41/39/953474139.db2.gz	SZMUYIXZDLXDNL-DYVFJYSZSA-N	1	0	367.471	1.287	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4nc(C)nn4C3)C[C@]2(C)C1	ZINC001091877240	953647368	/nfs/dbraw/zinc/64/73/68/953647368.db2.gz	GAIWDQNWNLXGPT-HLIPFELVSA-N	1	0	357.502	1.895	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@H+](CCN4CCCC4=O)C[C@@]3(C)C2)cc1	ZINC001091905744	953674697	/nfs/dbraw/zinc/67/46/97/953674697.db2.gz	NKGSMBZPVAUTNP-KNQAVFIVSA-N	1	0	365.477	1.684	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cocc4C)C[C@]3(C)C2)C1=O	ZINC001091926001	953716652	/nfs/dbraw/zinc/71/66/52/953716652.db2.gz	WPZYIGFKUNBYTF-SYNHAJSKSA-N	1	0	357.454	1.769	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)COCC[NH+](C)C)CCN1c1snc(Cl)c1C#N	ZINC001091990304	953897379	/nfs/dbraw/zinc/89/73/79/953897379.db2.gz	WTTOCLRUTJYEOU-PWSUYJOCSA-N	1	0	371.894	1.330	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3ccnc3)nn2)C1	ZINC001196868353	971968671	/nfs/dbraw/zinc/96/86/71/971968671.db2.gz	WESCWAQYVBWBKA-IAGOWNOFSA-N	1	0	370.457	1.184	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCCC2)CCN1c1ccc(C#N)nn1	ZINC001091972001	953955166	/nfs/dbraw/zinc/95/51/66/953955166.db2.gz	CXGQTNYDTHRWPH-WBVHZDCISA-N	1	0	356.474	1.698	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3C[N@@H+](Cc4c(C)noc4C)C[C@@]3(C)C2)nn1	ZINC001092079038	954225478	/nfs/dbraw/zinc/22/54/78/954225478.db2.gz	FLXYAYRDJXSFJV-BEFAXECRSA-N	1	0	370.457	1.663	20	30		FDEDRO
C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC(=O)N(C)[C@@H]3c3cccnc3)C[C@]2(C)C1	ZINC001092087801	954242278	/nfs/dbraw/zinc/24/22/78/954242278.db2.gz	NTCHLGWOJBKMTL-FKPGQJDZSA-N	1	0	368.481	1.567	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3csc(-c4nc[nH]n4)n3)C[C@]2(C)C1	ZINC001092094390	954270164	/nfs/dbraw/zinc/27/01/64/954270164.db2.gz	JUWVHDJLMSPIEJ-PXAZEXFGSA-N	1	0	358.471	1.898	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3cccc(-n4cncn4)n3)C[C@]2(C)C1	ZINC001092150663	954401002	/nfs/dbraw/zinc/40/10/02/954401002.db2.gz	YQMZLQFLEXKVJF-BEFAXECRSA-N	1	0	352.442	1.632	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+](Cc4cc(C)no4)C[C@@]3(C)C2)nc1	ZINC001092207396	954608964	/nfs/dbraw/zinc/60/89/64/954608964.db2.gz	JCQNYMDAUGJSLW-UZLBHIALSA-N	1	0	350.422	1.953	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@H+](CC[C@@H]4CCOC4)C[C@@]3(C)C2)cn1	ZINC001092211421	954617310	/nfs/dbraw/zinc/61/73/10/954617310.db2.gz	FWDSNSMKNOBVOR-BLIXFSHQSA-N	1	0	353.466	1.883	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+]([C@H]4CCN(CC)C4=O)C[C@@]3(C)C2)cn1	ZINC001092211905	954621256	/nfs/dbraw/zinc/62/12/56/954621256.db2.gz	SZYDOIAKNCIVMQ-MMOPVJDHSA-N	1	0	366.465	1.078	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc(CNC(N)=O)cc3)C[C@]2(C)C1	ZINC001092263805	954624492	/nfs/dbraw/zinc/62/44/92/954624492.db2.gz	XPEZVNAHZFHABY-XLIONFOSSA-N	1	0	356.470	1.825	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)Cc3ccc4c(c3)OCCO4)C[C@]2(C)C1	ZINC001092253466	954712457	/nfs/dbraw/zinc/71/24/57/954712457.db2.gz	IQTVLVZOXBUFIT-UTKZUKDTSA-N	1	0	354.450	1.804	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1C[C@H]2CN(c3nc(C)ccc3C#N)C[C@@]2(C)C1	ZINC001092289603	954877593	/nfs/dbraw/zinc/87/75/93/954877593.db2.gz	IYQDPYPQVRJTSY-FXAWDEMLSA-N	1	0	355.486	1.888	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CCC([NH2+]Cc2nnnn2C)CC1	ZINC000964022043	1013130117	/nfs/dbraw/zinc/13/01/17/1013130117.db2.gz	UPYOWGQQNAIQQY-NDTCATRNSA-N	1	0	362.478	1.051	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@H](C)C2)n1	ZINC001092387083	954985683	/nfs/dbraw/zinc/98/56/83/954985683.db2.gz	PGRPRAPXFXLVPL-IIAWOOMASA-N	1	0	358.490	1.439	20	30		FDEDRO
C[C@H](C(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C)[NH+]1CCCCCC1	ZINC001092405220	955027067	/nfs/dbraw/zinc/02/70/67/955027067.db2.gz	MLYXRWCNNBLQSO-BRWVUGGUSA-N	1	0	370.501	1.801	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CNC(=O)CCC[NH+]1CCCCC1	ZINC001092366413	955032153	/nfs/dbraw/zinc/03/21/53/955032153.db2.gz	JAKKTJPRYULRHQ-IAGOWNOFSA-N	1	0	370.501	1.803	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](C)C2)n1	ZINC001092367984	955034464	/nfs/dbraw/zinc/03/44/64/955034464.db2.gz	AQAWBQBMPUNSQK-HUUCEWRRSA-N	1	0	358.490	1.441	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CNC(=O)CCC[NH+]1CCCC1	ZINC001092375743	955052043	/nfs/dbraw/zinc/05/20/43/955052043.db2.gz	ZVXOHGNBEBIWRR-HZPDHXFCSA-N	1	0	356.474	1.413	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)c1ccc(=O)[nH]n1	ZINC001092447057	955127025	/nfs/dbraw/zinc/12/70/25/955127025.db2.gz	FVUSKYCUKGAETQ-IUODEOHRSA-N	1	0	369.400	1.691	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](CNC(=O)C[N@H+](C)C3CCC3)[C@H](C)C2)n1	ZINC001092456672	955169604	/nfs/dbraw/zinc/16/96/04/955169604.db2.gz	KDAASJOJKPTFNM-UKRRQHHQSA-N	1	0	356.474	1.330	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H](CNC(=O)c3cnns3)[C@H](C)C2)cc1C#N	ZINC001092485738	955242418	/nfs/dbraw/zinc/24/24/18/955242418.db2.gz	LPKKDKLKPLPCSY-IUODEOHRSA-N	1	0	371.466	1.916	20	30		FDEDRO
Cc1c(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2C)nnn1C	ZINC001092517766	955301717	/nfs/dbraw/zinc/30/17/17/955301717.db2.gz	BMMNRYCFXBWSOK-CXAGYDPISA-N	1	0	352.442	1.493	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CCNC(=O)CC[NH+]1CCCCC1	ZINC001092524065	955323544	/nfs/dbraw/zinc/32/35/44/955323544.db2.gz	VDDFJJGZCVRWBX-IAGOWNOFSA-N	1	0	370.501	1.803	20	30		FDEDRO
CC(C)N1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)C1=O	ZINC001092527867	955336528	/nfs/dbraw/zinc/33/65/28/955336528.db2.gz	SAONKKYWQOOXHC-FRFSOERESA-N	1	0	357.458	1.193	20	30		FDEDRO
COc1cccc(C[N@H+]2C[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)n1	ZINC001092530801	955488796	/nfs/dbraw/zinc/48/87/96/955488796.db2.gz	LSDYESCSAIKZFO-UKRRQHHQSA-N	1	0	353.426	1.788	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CCNC(=O)C12CC[NH+](CC1)C2	ZINC001092531640	955492498	/nfs/dbraw/zinc/49/24/98/955492498.db2.gz	MAERBITXKVZMNZ-HUUCEWRRSA-N	1	0	354.458	1.023	20	30		FDEDRO
CCn1nncc1C(=O)NC[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1C	ZINC001092589049	955563413	/nfs/dbraw/zinc/56/34/13/955563413.db2.gz	OJPUOOQUXZYGBI-NVXWUHKLSA-N	1	0	369.444	1.787	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CCNC(=O)[C@@H]1CCCC[N@@H+]1C	ZINC001092571332	955679284	/nfs/dbraw/zinc/67/92/84/955679284.db2.gz	VFSSRRIIUHVNRB-INMHGKMJSA-N	1	0	356.474	1.411	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H](CNC(=O)c3ncn(C)n3)[C@H](C)C2)cc1C#N	ZINC001092583920	955729420	/nfs/dbraw/zinc/72/94/20/955729420.db2.gz	YDNMDYWMMOLIDX-CZUORRHYSA-N	1	0	368.441	1.193	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1C	ZINC001092617308	955829560	/nfs/dbraw/zinc/82/95/60/955829560.db2.gz	JMHPFGJGJNSVLP-OPNNQBFTSA-N	1	0	360.502	1.894	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CCNc2ccc(C#N)nn2)C1	ZINC001092623810	955867424	/nfs/dbraw/zinc/86/74/24/955867424.db2.gz	QGPBUKSUECNKDW-HUUCEWRRSA-N	1	0	358.490	1.975	20	30		FDEDRO
CCC[N@H+](C)CC(=O)NC[C@]12CCC[C@H]1N(c1ccc(C#N)nn1)CC2	ZINC001092701272	956094229	/nfs/dbraw/zinc/09/42/29/956094229.db2.gz	XIXAUXGNYKTJJV-VQIMIIECSA-N	1	0	356.474	1.555	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)c1cn[nH]c(=O)c1	ZINC001092702625	956102166	/nfs/dbraw/zinc/10/21/66/956102166.db2.gz	JGKWYDQLVGPRKB-CXAGYDPISA-N	1	0	351.410	1.552	20	30		FDEDRO
CC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1N(c1ccnc(C#N)n1)CC2	ZINC001092706025	956122422	/nfs/dbraw/zinc/12/24/22/956122422.db2.gz	GRWNIHFBUWZWSW-DNVCBOLYSA-N	1	0	356.474	1.555	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3onc(C)c3C)[C@H](C)C2)C1=O	ZINC001092709263	956137692	/nfs/dbraw/zinc/13/76/92/956137692.db2.gz	SUKVSKKOFWRKNQ-DAXOMENPSA-N	1	0	360.458	1.376	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)c1cnc[nH]c1=O	ZINC001092710823	956142166	/nfs/dbraw/zinc/14/21/66/956142166.db2.gz	DGKKETJUWLPKME-CZUORRHYSA-N	1	0	351.410	1.552	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@@H]1CCN(C)C(=O)C1	ZINC001092741066	956238549	/nfs/dbraw/zinc/23/85/49/956238549.db2.gz	WXYSYGRXRQPDMW-GPMSIDNRSA-N	1	0	368.481	1.611	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@H]1CCC(=O)NC1	ZINC001092761383	956298773	/nfs/dbraw/zinc/29/87/73/956298773.db2.gz	XZYPJCPBCBMYJH-FHLIZLRMSA-N	1	0	354.454	1.269	20	30		FDEDRO
Cc1cc(C#N)nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+]2CCCC2)C3)n1	ZINC001092847340	956487098	/nfs/dbraw/zinc/48/70/98/956487098.db2.gz	ICZLWAGJMCCPGC-SQNIBIBYSA-N	1	0	368.485	1.759	20	30		FDEDRO
CC[NH+](CC)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N)C(C)C	ZINC001092867076	956584203	/nfs/dbraw/zinc/58/42/03/956584203.db2.gz	YVHIGFIORNLHEF-FZCLSBEQSA-N	1	0	370.501	1.941	20	30		FDEDRO
Cc1nn[nH]c1C(=O)NC[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1C	ZINC001092873711	956608791	/nfs/dbraw/zinc/60/87/91/956608791.db2.gz	UEWTZXMWPVCIMU-CZUORRHYSA-N	1	0	355.417	1.602	20	30		FDEDRO
COc1nn(C)cc1C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C	ZINC001092882286	956649565	/nfs/dbraw/zinc/64/95/65/956649565.db2.gz	UHQGAJJNJKHDCO-RHSMWYFYSA-N	1	0	367.453	1.798	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(OC)c(C3CC3)c2)C1	ZINC001197349121	972202435	/nfs/dbraw/zinc/20/24/35/972202435.db2.gz	COIXGTSMAUWJLR-QZTJIDSGSA-N	1	0	360.454	1.550	20	30		FDEDRO
Cc1cc(C#N)nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C3)n1	ZINC001092887134	956676925	/nfs/dbraw/zinc/67/69/25/956676925.db2.gz	WJAQVTKOVKZREG-LTIDMASMSA-N	1	0	354.458	1.223	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3occ4c3CCC4)[C@H](C)C2)C1=O	ZINC001092858963	956714349	/nfs/dbraw/zinc/71/43/49/956714349.db2.gz	UALJJUCZFVKUKH-KYJSFNMBSA-N	1	0	371.481	1.853	20	30		FDEDRO
CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1)[NH+](CC)CC	ZINC001092910936	956752683	/nfs/dbraw/zinc/75/26/83/956752683.db2.gz	QVNYKJVUNXXOCE-QZWWFDLISA-N	1	0	356.474	1.695	20	30		FDEDRO
C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncc(C#N)cc1F)C1CCC1	ZINC001092924878	956926831	/nfs/dbraw/zinc/92/68/31/956926831.db2.gz	JRJAEZXFLJKMMN-PVAVHDDUSA-N	1	0	357.433	1.803	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(OC)nn2)C[C@H]1C	ZINC001092977830	956974420	/nfs/dbraw/zinc/97/44/20/956974420.db2.gz	KSKKLJRWKHGMFM-SRABZTEZSA-N	1	0	360.458	1.260	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccnc(OC)n2)C[C@H]1C	ZINC001092977921	956975619	/nfs/dbraw/zinc/97/56/19/956975619.db2.gz	PNMOABFBCNEGDD-SRABZTEZSA-N	1	0	360.458	1.260	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1	ZINC001093018299	957142088	/nfs/dbraw/zinc/14/20/88/957142088.db2.gz	BUWLUCPKKAFVBG-BARDWOONSA-N	1	0	360.437	1.254	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1C	ZINC001093045495	957209581	/nfs/dbraw/zinc/20/95/81/957209581.db2.gz	HMLWORMSRLOSLU-LBKNJMOBSA-N	1	0	373.497	1.551	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3cnnn3C)C[C@H]2C)cc1	ZINC001093032024	957245579	/nfs/dbraw/zinc/24/55/79/957245579.db2.gz	SOKLTZHZMNNYRL-NVXWUHKLSA-N	1	0	367.453	1.325	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@H+](Cc3cc(OC)ccn3)C[C@H]2C)nn1	ZINC001093035337	957254106	/nfs/dbraw/zinc/25/41/06/957254106.db2.gz	YNYRAYNUNMOZBX-HUUCEWRRSA-N	1	0	370.457	1.366	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1C	ZINC001093039183	957261463	/nfs/dbraw/zinc/26/14/63/957261463.db2.gz	ICQHEMDKYQCZIS-YRXWBPOGSA-N	1	0	360.502	1.939	20	30		FDEDRO
Cc1cc(C#N)nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C3)n1	ZINC001093057195	957274955	/nfs/dbraw/zinc/27/49/55/957274955.db2.gz	FVKCTXLEFCVOFJ-MLHJIOFPSA-N	1	0	368.485	1.757	20	30		FDEDRO
Cc1cc(C#N)nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C3)n1	ZINC001093057197	957275609	/nfs/dbraw/zinc/27/56/09/957275609.db2.gz	FVKCTXLEFCVOFJ-TVFCKZIOSA-N	1	0	368.485	1.757	20	30		FDEDRO
C=C(C)C(=O)OCCNC(=O)c1cccc(CN2CCC[N@@H+](C)CC2)c1	ZINC001197509443	972269465	/nfs/dbraw/zinc/26/94/65/972269465.db2.gz	MICLVXFFLIZDCO-UHFFFAOYSA-N	1	0	359.470	1.673	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCS(=O)(=O)N(C)C)C2	ZINC001110140598	957580894	/nfs/dbraw/zinc/58/08/94/957580894.db2.gz	GBTKOZMYUGSFEJ-WCVJEAGWSA-N	1	0	357.520	1.344	20	30		FDEDRO
CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(CNc2ccc(C#N)nn2)C1	ZINC001093124090	957587531	/nfs/dbraw/zinc/58/75/31/957587531.db2.gz	OHPBTVFNXLKLEY-KXBFYZLASA-N	1	0	356.474	1.729	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N[C@@H]1CN(CC#Cc2ccccc2Cl)C[C@H]1O	ZINC001197536023	972279751	/nfs/dbraw/zinc/27/97/51/972279751.db2.gz	HGMRJPOHILBICP-QZTJIDSGSA-N	1	0	363.889	1.195	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)c3ccccc3OC)[C@H](C)C2)C1=O	ZINC001093149900	957651740	/nfs/dbraw/zinc/65/17/40/957651740.db2.gz	LRSOXDTUWXVSER-NUJGCVRESA-N	1	0	371.481	1.780	20	30		FDEDRO
C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@]2(CNc2nccnc2C#N)C1	ZINC001093129691	957670792	/nfs/dbraw/zinc/67/07/92/957670792.db2.gz	KAMPRZOJCYTJGM-KXBFYZLASA-N	1	0	356.474	1.731	20	30		FDEDRO
CC(=O)N1CC[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2C)C1	ZINC001093164315	957714341	/nfs/dbraw/zinc/71/43/41/957714341.db2.gz	XSUGENLGKKXZQK-DUXKGJEZSA-N	1	0	367.493	1.591	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CNC(=O)c2ccn(C)n2)[C@H](C)C1	ZINC001093197352	957766029	/nfs/dbraw/zinc/76/60/29/957766029.db2.gz	LISXEHHYSUXNRW-RHSMWYFYSA-N	1	0	367.453	1.798	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)N2CCC[C@@H]2CC)C1	ZINC001197559073	972302800	/nfs/dbraw/zinc/30/28/00/972302800.db2.gz	NURQFARHHFQGRM-GVDBMIGSSA-N	1	0	353.507	1.519	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)C3CC(F)(F)C3)C[C@H]2C)C1=O	ZINC001093273588	957943211	/nfs/dbraw/zinc/94/32/11/957943211.db2.gz	CKXUEFHRTHLPLH-FMKPAKJESA-N	1	0	369.456	1.893	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)CC(C)(F)F)C[C@H]2C)C1=O	ZINC001093285553	957967919	/nfs/dbraw/zinc/96/79/19/957967919.db2.gz	RRBKQPLMELJYQQ-KFWWJZLASA-N	1	0	357.445	1.893	20	30		FDEDRO
C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC1	ZINC001093378856	958016757	/nfs/dbraw/zinc/01/67/57/958016757.db2.gz	VDIDEODRZQOSEY-SQNIBIBYSA-N	1	0	359.514	1.990	20	30		FDEDRO
C#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC1	ZINC001093378245	958016786	/nfs/dbraw/zinc/01/67/86/958016786.db2.gz	LJYMPWZCLBSJSM-SQNIBIBYSA-N	1	0	357.498	1.437	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc(C)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093427958	958045309	/nfs/dbraw/zinc/04/53/09/958045309.db2.gz	OACOZUJNUWKPGT-UIXUWTQFSA-N	1	0	358.486	1.941	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3=COCCO3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093428384	958046975	/nfs/dbraw/zinc/04/69/75/958046975.db2.gz	UCRKFAUUDQCIOQ-LFEHRJTNSA-N	1	0	350.459	1.417	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnns3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093435499	958064308	/nfs/dbraw/zinc/06/43/08/958064308.db2.gz	UGQXKGINGJYOMH-SMKXDYDZSA-N	1	0	350.488	1.694	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)C#CC2CC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cnn(C)c1)C2	ZINC001093443892	958087963	/nfs/dbraw/zinc/08/79/63/958087963.db2.gz	VZTKNABUSNIMFU-VURPSTOHSA-N	1	0	370.497	1.300	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3nnc(C)o3)[C@H]2C(C)C)C[C@H]1O	ZINC001093443924	958088281	/nfs/dbraw/zinc/08/82/81/958088281.db2.gz	WMHPVLYXMOXGNY-VVWQDTPRSA-N	1	0	362.474	1.463	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C4CCC4)nn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093445367	958090402	/nfs/dbraw/zinc/09/04/02/958090402.db2.gz	BYHSZXXGXYZXBY-DLVXIWMQSA-N	1	0	371.485	1.216	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc4[nH]cnc4c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093446010	958092442	/nfs/dbraw/zinc/09/24/42/958092442.db2.gz	FAZQQYSYJYNCOC-WOCWXWTJSA-N	1	0	367.453	1.171	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc4[nH]cnc4c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093446008	958092738	/nfs/dbraw/zinc/09/27/38/958092738.db2.gz	FAZQQYSYJYNCOC-VIPLHTEESA-N	1	0	367.453	1.171	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc4n[nH]nc43)[C@H]2C(C)C)C[C@H]1O	ZINC001093446617	958094873	/nfs/dbraw/zinc/09/48/73/958094873.db2.gz	JAWGJNIUQFDRKX-ZTRFORPCSA-N	1	0	369.469	1.724	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc4n[nH]nc43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093446614	958095176	/nfs/dbraw/zinc/09/51/76/958095176.db2.gz	JAWGJNIUQFDRKX-CIWUYKSXSA-N	1	0	369.469	1.724	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc4[nH]cnc4c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093446914	958098170	/nfs/dbraw/zinc/09/81/70/958098170.db2.gz	NVDLIVWFIXYASZ-PDOICOKGSA-N	1	0	369.469	1.724	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)nnn3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001093448276	958107773	/nfs/dbraw/zinc/10/77/73/958107773.db2.gz	GUVMRGGJSOZZTR-RRIFGTCXSA-N	1	0	361.490	1.372	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nc(C)sc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093448719	958110334	/nfs/dbraw/zinc/11/03/34/958110334.db2.gz	BTOSSNRTNWZNRP-RRIFGTCXSA-N	1	0	361.511	1.973	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)nnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093449505	958116219	/nfs/dbraw/zinc/11/62/19/958116219.db2.gz	PBTLHOVFUDCMEB-MLYOOKFZSA-N	1	0	358.486	1.859	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)nnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093449507	958116543	/nfs/dbraw/zinc/11/65/43/958116543.db2.gz	PBTLHOVFUDCMEB-XSYGEPLQSA-N	1	0	358.486	1.859	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)nnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093449793	958117788	/nfs/dbraw/zinc/11/77/88/958117788.db2.gz	QLMJFTGCZYJFEL-MLYOOKFZSA-N	1	0	356.470	1.306	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc4n[nH]nc4n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093450509	958125120	/nfs/dbraw/zinc/12/51/20/958125120.db2.gz	VHPPLKOUASKSQB-OAFZBRQQSA-N	1	0	370.457	1.119	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncc4[nH]ccc43)[C@H]2C(C)C)C[C@H]1O	ZINC001093452134	958138473	/nfs/dbraw/zinc/13/84/73/958138473.db2.gz	DGKBODWRAMJJIP-RBAQFSTRSA-N	1	0	366.465	1.776	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH]nc3CCC)[C@H]2C(C)C)C[C@H]1O	ZINC001093452274	958139924	/nfs/dbraw/zinc/13/99/24/958139924.db2.gz	GFHHHAVWTFZQTA-FTEYMNFISA-N	1	0	358.486	1.575	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093424004	958176248	/nfs/dbraw/zinc/17/62/48/958176248.db2.gz	OOAWLMPWNYETNS-GFOCRRMGSA-N	1	0	364.877	1.809	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093424007	958177527	/nfs/dbraw/zinc/17/75/27/958177527.db2.gz	OOAWLMPWNYETNS-NYCLONFESA-N	1	0	364.877	1.809	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc(C)n3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093459763	958185169	/nfs/dbraw/zinc/18/51/69/958185169.db2.gz	NCJHCVJAPPZYIA-UIXUWTQFSA-N	1	0	360.502	1.884	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(OCC)no3)[C@H]2C(C)C)C[C@H]1O	ZINC001093460020	958185886	/nfs/dbraw/zinc/18/58/86/958185886.db2.gz	XJQCMUVLKOKPKV-XNWVLMOPSA-N	1	0	363.458	1.839	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc4n3CCCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093460096	958188051	/nfs/dbraw/zinc/18/80/51/958188051.db2.gz	PDOJGMJGUJODJQ-DOSUHQCWSA-N	1	0	370.497	1.432	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ncccc3F)[C@H]2C(C)C)C[C@H]1O	ZINC001093461291	958193917	/nfs/dbraw/zinc/19/39/17/958193917.db2.gz	HKHKHYRBEBQSBO-IZBJGVDFSA-N	1	0	361.461	1.915	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3n[nH]cc3F)[C@H]2C(C)C)C[C@H]1O	ZINC001093464117	958197688	/nfs/dbraw/zinc/19/76/88/958197688.db2.gz	CHUACAGKWGDBKZ-LNCBFAARSA-N	1	0	370.856	1.881	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ocnc3C3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093464657	958200987	/nfs/dbraw/zinc/20/09/87/958200987.db2.gz	GARQRAUJPVPBQO-YZDADXEPSA-N	1	0	357.454	1.765	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnc(C4CC4)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093465569	958204179	/nfs/dbraw/zinc/20/41/79/958204179.db2.gz	IHCIVIUQMOEUHM-WIRSXHRWSA-N	1	0	368.481	1.567	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc(C)nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093467999	958217469	/nfs/dbraw/zinc/21/74/69/958217469.db2.gz	WYDCIJSDGOWDGG-SOAMZJECSA-N	1	0	358.486	1.859	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c(C)noc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093477526	958220057	/nfs/dbraw/zinc/22/00/57/958220057.db2.gz	IVSOOARCPGUSFK-JYBIWHBTSA-N	1	0	359.470	1.433	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3ncccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093469238	958220621	/nfs/dbraw/zinc/22/06/21/958220621.db2.gz	FJFGAOHIQKBRHD-XNFNUYLZSA-N	1	0	356.470	1.009	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccnn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093469787	958224875	/nfs/dbraw/zinc/22/48/75/958224875.db2.gz	KXZQQMUKLXNGGW-XLMAVXFVSA-N	1	0	364.877	1.809	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)nc(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093470385	958227992	/nfs/dbraw/zinc/22/79/92/958227992.db2.gz	UGOFWJUSMUPJRT-XSYGEPLQSA-N	1	0	356.470	1.306	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(CC)nn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093470412	958228567	/nfs/dbraw/zinc/22/85/67/958228567.db2.gz	UJQBTOFGGQNXTC-NWGLXNPWSA-N	1	0	361.490	1.454	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cnn(CC)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093471376	958233234	/nfs/dbraw/zinc/23/32/34/958233234.db2.gz	DNPCPCLGLDLVGV-IZBJGVDFSA-N	1	0	358.486	1.045	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2csc(COC)n2)C1	ZINC001197604581	972331001	/nfs/dbraw/zinc/33/10/01/972331001.db2.gz	NDHZYKMIKRWCTA-NWANDNLSSA-N	1	0	353.488	1.348	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093454861	958270195	/nfs/dbraw/zinc/27/01/95/958270195.db2.gz	CKZBGTIBFVRWOI-GFOCRRMGSA-N	1	0	366.893	1.752	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093454863	958270867	/nfs/dbraw/zinc/27/08/67/958270867.db2.gz	CKZBGTIBFVRWOI-IIVZCXTMSA-N	1	0	366.893	1.752	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3n[nH]c4c3CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093458291	958283028	/nfs/dbraw/zinc/28/30/28/958283028.db2.gz	NCGVAIRRAWOKKP-CIWUYKSXSA-N	1	0	356.470	1.111	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(OC)n(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093459144	958287843	/nfs/dbraw/zinc/28/78/43/958287843.db2.gz	RKXLBRLLNYYNPA-LFEHRJTNSA-N	1	0	362.474	1.194	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc4n[nH]nc4c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093479682	958300549	/nfs/dbraw/zinc/30/05/49/958300549.db2.gz	VBUBYJCLNSLBIG-FTEYMNFISA-N	1	0	369.469	1.724	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)CC[NH+]2CCCCC2)C[C@@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001093481490	958307222	/nfs/dbraw/zinc/30/72/22/958307222.db2.gz	XEYDYKNVOZNXCI-IZBJGVDFSA-N	1	0	362.518	1.352	20	30		FDEDRO
C=CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@H]2OCCO[C@H]2C)CC1	ZINC001093487970	958309332	/nfs/dbraw/zinc/30/93/32/958309332.db2.gz	YJMLOOGBFCBLRQ-KANFNMMFSA-N	1	0	363.502	1.116	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001093639383	958406825	/nfs/dbraw/zinc/40/68/25/958406825.db2.gz	KKYKIPVCEVUHLH-RHSMWYFYSA-N	1	0	370.432	1.563	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001093623273	958413278	/nfs/dbraw/zinc/41/32/78/958413278.db2.gz	SZSLRFCNINIXBB-RDTXWAMCSA-N	1	0	368.412	1.829	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001093647862	958426132	/nfs/dbraw/zinc/42/61/32/958426132.db2.gz	JIILAYRMDPADGO-QBIMZIAESA-N	1	0	361.417	1.297	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1cccc(C(N)=O)c1)C2	ZINC001110148142	958485508	/nfs/dbraw/zinc/48/55/08/958485508.db2.gz	LDMLXLXMLOGOGG-NJAFHUGGSA-N	1	0	357.454	1.852	20	30		FDEDRO
COc1ccnc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)c1	ZINC001093699486	958565746	/nfs/dbraw/zinc/56/57/46/958565746.db2.gz	AKWGCSPAMYSZML-UKRRQHHQSA-N	1	0	353.426	1.788	20	30		FDEDRO
CCc1noc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)n1	ZINC001093715597	958583904	/nfs/dbraw/zinc/58/39/04/958583904.db2.gz	IHSDDJWYLZINIY-FRRDWIJNSA-N	1	0	356.430	1.891	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1nc(C2CC2)nn1C	ZINC001093722586	958599371	/nfs/dbraw/zinc/59/93/71/958599371.db2.gz	QQIIVGWUWYNYAF-TZMCWYRMSA-N	1	0	367.457	1.390	20	30		FDEDRO
CCCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC001093725568	958607580	/nfs/dbraw/zinc/60/75/80/958607580.db2.gz	SDTZVKXSSDWRLJ-UKRRQHHQSA-N	1	0	370.461	1.171	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1)n1cncn1	ZINC001093725482	958607696	/nfs/dbraw/zinc/60/76/96/958607696.db2.gz	LUMZRDQJJOAICN-HZSPNIEDSA-N	1	0	358.471	1.657	20	30		FDEDRO
CCc1noc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)n1	ZINC001093725690	958608893	/nfs/dbraw/zinc/60/88/93/958608893.db2.gz	ZLURUDDZGDAVOP-MBNYWOFBSA-N	1	0	356.430	1.891	20	30		FDEDRO
CC(C)c1nnc(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)o1	ZINC001093725983	958610406	/nfs/dbraw/zinc/61/04/06/958610406.db2.gz	MDBOSSSXZRCEOP-TZMCWYRMSA-N	1	0	356.430	1.891	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1cccc(C(N)=O)c1	ZINC001093725788	958610578	/nfs/dbraw/zinc/61/05/78/958610578.db2.gz	FETLOOIMOYHICO-CXAGYDPISA-N	1	0	365.437	1.483	20	30		FDEDRO
CC(C)Cc1noc(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)n1	ZINC001093725965	958610881	/nfs/dbraw/zinc/61/08/81/958610881.db2.gz	LCZOXXIPFYSMQR-UKRRQHHQSA-N	1	0	370.457	1.966	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001093739671	958653387	/nfs/dbraw/zinc/65/33/87/958653387.db2.gz	WYICXMWNKZTBMI-RHSMWYFYSA-N	1	0	370.432	1.563	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093739711	958653687	/nfs/dbraw/zinc/65/36/87/958653687.db2.gz	ZPDTWGFGHBXXAV-VXGBXAGGSA-N	1	0	360.439	1.409	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3ncn(C)n3)C[C@H]2C)cc1C#N	ZINC001093754924	958682987	/nfs/dbraw/zinc/68/29/87/958682987.db2.gz	QVRSXVUTVIHHBK-CZUORRHYSA-N	1	0	368.441	1.193	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001093755158	958683122	/nfs/dbraw/zinc/68/31/22/958683122.db2.gz	WAFYJKNCXFHYDF-GDBMZVCRSA-N	1	0	368.441	1.215	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+][C@H]1CCN(CC(F)(F)F)C1=O	ZINC001093762091	958700595	/nfs/dbraw/zinc/70/05/95/958700595.db2.gz	OMFVOLFQXDNVIO-YUELXQCFSA-N	1	0	371.403	1.247	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nccc(C)n2)[C@H](C)C1	ZINC001093778509	958872759	/nfs/dbraw/zinc/87/27/59/958872759.db2.gz	VLDDWBCOYRNCML-DDBAPUKQSA-N	1	0	358.486	1.950	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cc(C)n(C)n2)[C@H](C)C1	ZINC001093778850	958875508	/nfs/dbraw/zinc/87/55/08/958875508.db2.gz	MOQZHQMILXFIHL-OPNNQBFTSA-N	1	0	360.502	1.894	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]Cc2nnc(CC)n2C)[C@H](C)C1	ZINC001093824953	958904100	/nfs/dbraw/zinc/90/41/00/958904100.db2.gz	WEZNEDKANMRANF-HZPDHXFCSA-N	1	0	370.501	1.863	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2oc(C)nc2C)[C@H](C)C1	ZINC001093832872	958926042	/nfs/dbraw/zinc/92/60/42/958926042.db2.gz	FDBRALKJXOGRFP-OLMNPRSZSA-N	1	0	358.486	1.573	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093839511	958950371	/nfs/dbraw/zinc/95/03/71/958950371.db2.gz	QUTAQNSPPSHGOQ-ZTFGCOKTSA-N	1	0	354.454	1.269	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1	ZINC001093842690	958957509	/nfs/dbraw/zinc/95/75/09/958957509.db2.gz	HORDVEAJMQMKLS-MLGOLLRUSA-N	1	0	353.426	1.793	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)[C@H](C)C1	ZINC001093843768	958962249	/nfs/dbraw/zinc/96/22/49/958962249.db2.gz	SGGMWFUMFQATGW-IAQYHMDHSA-N	1	0	371.416	1.932	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nncn3C)[C@H](C)C2)cc1	ZINC001093870056	959054716	/nfs/dbraw/zinc/05/47/16/959054716.db2.gz	JXVRHHOVYKXPMK-NVXWUHKLSA-N	1	0	369.469	1.878	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1	ZINC001093870040	959054919	/nfs/dbraw/zinc/05/49/19/959054919.db2.gz	IRBNYFZFACKTET-HUUCEWRRSA-N	1	0	370.457	1.273	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)ccc2=O)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093908829	959170942	/nfs/dbraw/zinc/17/09/42/959170942.db2.gz	YWZZZVHJSGDYFE-CRAIPNDOSA-N	1	0	364.449	1.755	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3ccc(C)c(C)n3)C[C@H]2C)C1=O	ZINC001093920905	959218203	/nfs/dbraw/zinc/21/82/03/959218203.db2.gz	ASXYQDYTBGZSFX-NXHRZFHOSA-N	1	0	370.497	1.783	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@](C)(NC(C)=O)C2CC2)C1	ZINC001197752228	972414870	/nfs/dbraw/zinc/41/48/70/972414870.db2.gz	JVFCNWVWWORDIW-LMMKCTJWSA-N	1	0	353.507	1.423	20	30		FDEDRO
CCn1cc(CC(=O)N2C[C@@H](C[NH2+]Cc3cccc(C#N)c3)[C@H](C)C2)nn1	ZINC001093936153	959394541	/nfs/dbraw/zinc/39/45/41/959394541.db2.gz	CQFBYLWYYMQFIX-CRAIPNDOSA-N	1	0	366.469	1.596	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001093980415	959528112	/nfs/dbraw/zinc/52/81/12/959528112.db2.gz	FSKXGQTWHGCWTA-FZWVUDROSA-N	1	0	357.429	1.774	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001094037615	959580069	/nfs/dbraw/zinc/58/00/69/959580069.db2.gz	YWMHNORIHIRABT-WIBUTAKZSA-N	1	0	354.454	1.269	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001094045818	959614928	/nfs/dbraw/zinc/61/49/28/959614928.db2.gz	JXCGHCVTPVVWOI-MPESAESLSA-N	1	0	358.417	1.003	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C3(CF)CCC3)C[C@H]2C)C1=O	ZINC001094055864	959649388	/nfs/dbraw/zinc/64/93/88/959649388.db2.gz	JBEVKQHWYKSGKW-BZUAXINKSA-N	1	0	351.466	1.597	20	30		FDEDRO
C#C[C@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)[C@H]1CCCO1	ZINC000775789115	972452129	/nfs/dbraw/zinc/45/21/29/972452129.db2.gz	KPKLCNPPQMSUCY-VNQPRFMTSA-N	1	0	354.244	1.959	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+][C@H](C)c3ncc(C)o3)[C@H](C)C2)nn1	ZINC001094095215	959770483	/nfs/dbraw/zinc/77/04/83/959770483.db2.gz	JXSSXSZFPBFUGF-BPLDGKMQSA-N	1	0	358.446	1.819	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)c3nc(C)no3)[C@H](C)C2)nn1	ZINC001094095147	959770521	/nfs/dbraw/zinc/77/05/21/959770521.db2.gz	GYMKMOSKCXTNLK-MBNYWOFBSA-N	1	0	359.434	1.214	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3nc(C)cs3)[C@H](C)C2)nn1	ZINC001094095412	959771958	/nfs/dbraw/zinc/77/19/58/959771958.db2.gz	PRPHLZRVOGOWFW-TZMCWYRMSA-N	1	0	360.487	1.727	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3cccc(OC)n3)[C@H](C)C2)nn1	ZINC001094095466	959772151	/nfs/dbraw/zinc/77/21/51/959772151.db2.gz	RKILTDGPUVIDRA-HUUCEWRRSA-N	1	0	370.457	1.366	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccncn2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001094117047	959811267	/nfs/dbraw/zinc/81/12/67/959811267.db2.gz	FKCNWDLZZZTJKD-NVXWUHKLSA-N	1	0	365.437	1.877	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C(C3CC3)C3CC3)C[C@H]2C)C1=O	ZINC001094157188	959928371	/nfs/dbraw/zinc/92/83/71/959928371.db2.gz	YXEPESZQADEOAA-OLMNPRSZSA-N	1	0	359.514	1.894	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]Cc2cnc(C)o2)[C@H](C)C1	ZINC001094173868	959973521	/nfs/dbraw/zinc/97/35/21/959973521.db2.gz	CBUHYPMDABBYAX-GDBMZVCRSA-N	1	0	368.437	1.888	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nc(COC)no3)[C@H](C)C2)cn1	ZINC001094174693	959978512	/nfs/dbraw/zinc/97/85/12/959978512.db2.gz	PMZOSXWWFVXOTQ-UKRRQHHQSA-N	1	0	369.425	1.090	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cc(OC)no3)[C@H](C)C2)cn1	ZINC001094175036	959979601	/nfs/dbraw/zinc/97/96/01/959979601.db2.gz	YORITZSKFVOYIK-UKRRQHHQSA-N	1	0	354.410	1.557	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]C[C@@H]3CCNC(=O)CC3)[C@H](C)C2)nc1	ZINC001094174995	959979896	/nfs/dbraw/zinc/97/98/96/959979896.db2.gz	WBGSYJFFHQUUBZ-BPQIPLTHSA-N	1	0	368.481	1.277	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)C[C@H]2C)C1=O	ZINC001094250757	960185234	/nfs/dbraw/zinc/18/52/34/960185234.db2.gz	KJUMEXODNCSVJX-SSZIBAPDSA-N	1	0	371.525	1.750	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nn(CC)c2C)C1	ZINC001197859219	972486980	/nfs/dbraw/zinc/48/69/80/972486980.db2.gz	KDEQWVRSZFVBLL-RTBURBONSA-N	1	0	362.518	1.970	20	30		FDEDRO
C=CC[NH+](CC=C)CCN1CCN(S(=O)(=O)Cc2ccccn2)CC1	ZINC001197815664	972490434	/nfs/dbraw/zinc/49/04/34/972490434.db2.gz	NVVNKLKVEWUXOG-UHFFFAOYSA-N	1	0	364.515	1.203	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cnn(CCOC)c3C)CCC[C@@H]12	ZINC001094415101	960404044	/nfs/dbraw/zinc/40/40/44/960404044.db2.gz	NJWFBXLXOQQLII-UYAOXDASSA-N	1	0	358.486	1.836	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc(-c4ccn(C)n4)on3)CCC[C@@H]12	ZINC001094422436	960419488	/nfs/dbraw/zinc/41/94/88/960419488.db2.gz	ZKNVEWBEVIKEFT-IEBWSBKVSA-N	1	0	353.426	1.683	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnn4c3cccc4OC)CCC[C@@H]12	ZINC001094429946	960434921	/nfs/dbraw/zinc/43/49/21/960434921.db2.gz	BVKPZVYTMLVKQD-YLJYHZDGSA-N	1	0	352.438	1.951	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CNC(=O)c4ccccc43)CCC[C@@H]12	ZINC001094433460	960445249	/nfs/dbraw/zinc/44/52/49/960445249.db2.gz	LPNHXIHKWCHDJJ-DBXWQHBBSA-N	1	0	351.450	1.508	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cncc4ncn(C)c43)CCC[C@@H]12	ZINC001094436305	960452453	/nfs/dbraw/zinc/45/24/53/960452453.db2.gz	JOOQQTDKGFUVTG-YLJYHZDGSA-N	1	0	351.454	1.966	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cncn1C)CC2	ZINC001094437685	960481412	/nfs/dbraw/zinc/48/14/12/960481412.db2.gz	XVWLOYMELVRZAD-QKNQBKEWSA-N	1	0	369.513	1.379	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccnc4c3CC(=O)N4)CCC[C@@H]12	ZINC001094457902	960555860	/nfs/dbraw/zinc/55/58/60/960555860.db2.gz	CFRWQSZPTCQLCN-OXQOHEQNSA-N	1	0	352.438	1.574	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN(CC(F)F)C3)CCC[C@@H]12	ZINC001094498612	960618142	/nfs/dbraw/zinc/61/81/42/960618142.db2.gz	OTRPMHSTGFEUBH-FRQCXROJSA-N	1	0	353.457	1.958	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH]nc3[C@H]3CCOC3)CCC[C@@H]12	ZINC001094477364	960647988	/nfs/dbraw/zinc/64/79/88/960647988.db2.gz	DDDGFZNGWLYMAX-XAUMDUMWSA-N	1	0	356.470	1.911	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4nc(C)nn4C3)CCC[C@@H]12	ZINC001094479221	960656209	/nfs/dbraw/zinc/65/62/09/960656209.db2.gz	SHZNSQYDCVLOLU-MBOZVWFJSA-N	1	0	355.486	1.533	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2ccn(C)n2)CC3)c1	ZINC001094508732	960686256	/nfs/dbraw/zinc/68/62/56/960686256.db2.gz	LCBGARCMPNFVII-TZIWHRDSSA-N	1	0	363.465	1.971	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4nnnn4CC3)CCC[C@@H]12	ZINC001094518342	960714068	/nfs/dbraw/zinc/71/40/68/960714068.db2.gz	CRFRLWCHVPFSHQ-GPMSIDNRSA-N	1	0	358.490	1.563	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2cncn2C)CC3)nn1	ZINC001094530987	960739547	/nfs/dbraw/zinc/73/95/47/960739547.db2.gz	BJWYPKLCAOFDBE-IEBWSBKVSA-N	1	0	369.473	1.372	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@@]3(CNC(=O)c4nc(C)c[nH]4)CCC[C@@H]23)C1=O	ZINC001094532647	960743531	/nfs/dbraw/zinc/74/35/31/960743531.db2.gz	GXXMBTLPMPFOBR-RZQQEMMASA-N	1	0	371.485	1.479	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@]3(CNC(=O)c4ncccn4)CCC[C@@H]23)C1=O	ZINC001094541561	960777682	/nfs/dbraw/zinc/77/76/82/960777682.db2.gz	CPURAMHZJDVVCS-RZQQEMMASA-N	1	0	369.469	1.238	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@]3(CNC(=O)c4ncccn4)CCC[C@@H]23)C1=O	ZINC001094541559	960777749	/nfs/dbraw/zinc/77/77/49/960777749.db2.gz	CPURAMHZJDVVCS-JXXFODFXSA-N	1	0	369.469	1.238	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)N2CCC2)CC3)nc1	ZINC001094560265	960808680	/nfs/dbraw/zinc/80/86/80/960808680.db2.gz	PCKNWSHTDKWCMM-WIYYLYMNSA-N	1	0	366.465	1.270	20	30		FDEDRO
N#Cc1ccccc1C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC(=O)N3)CCC[C@@H]12	ZINC001094563149	960819774	/nfs/dbraw/zinc/81/97/74/960819774.db2.gz	GIMGPXXKOIFDIN-WAOWUJCRSA-N	1	0	366.465	1.698	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@@H]4CCC(=O)N4)CCC[C@@H]23)c1	ZINC001094564130	960824358	/nfs/dbraw/zinc/82/43/58/960824358.db2.gz	WAJTUKDIVSBAHO-WAOWUJCRSA-N	1	0	366.465	1.698	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2nnc(C)o2)C1	ZINC001181525002	960905091	/nfs/dbraw/zinc/90/50/91/960905091.db2.gz	AWXWPKAVFYDJAB-JNNRSPCRSA-N	1	0	362.474	1.933	20	30		FDEDRO
N#Cc1ccccc1CC(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2	ZINC001181797596	961120656	/nfs/dbraw/zinc/12/06/56/961120656.db2.gz	GIXQKHWHUSFTRC-UHFFFAOYSA-N	1	0	360.417	1.957	20	30		FDEDRO
C#C[C@H](C)N(C)C(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1	ZINC000773948717	961167680	/nfs/dbraw/zinc/16/76/80/961167680.db2.gz	OSHUNNOFLOZVCD-INIZCTEOSA-N	1	0	368.481	1.637	20	30		FDEDRO
C#C[C@@H](C)N(C)C(=O)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1	ZINC000773948513	961173169	/nfs/dbraw/zinc/17/31/69/961173169.db2.gz	LIQXNVWHSMGTRL-MRXNPFEDSA-N	1	0	356.470	1.636	20	30		FDEDRO
C[N@@H+]1C[C@H](C(=O)NCCCNc2nccnc2C#N)[C@@H](c2ccccc2)C1	ZINC001094796458	961182069	/nfs/dbraw/zinc/18/20/69/961182069.db2.gz	DKMCEPFMBXQRTA-SJORKVTESA-N	1	0	364.453	1.612	20	30		FDEDRO
C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC	ZINC000773949326	961203822	/nfs/dbraw/zinc/20/38/22/961203822.db2.gz	VEHZNBTXKXGUIW-OAHLLOKOSA-N	1	0	372.469	1.256	20	30		FDEDRO
CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	ZINC001171515247	961212909	/nfs/dbraw/zinc/21/29/09/961212909.db2.gz	DXUJQUGXYMPDLB-MCIONIFRSA-N	1	0	350.381	1.621	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)c1nnn(-c2cccc3c2CC[N@@H+](C)C3)c1C	ZINC000651073301	1013237030	/nfs/dbraw/zinc/23/70/30/1013237030.db2.gz	VRGJIJFMMOVXOO-AEFFLSMTSA-N	1	0	367.453	1.637	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1	ZINC001181978639	961299266	/nfs/dbraw/zinc/29/92/66/961299266.db2.gz	PSHAHEOGVZRFNW-HUUCEWRRSA-N	1	0	350.463	1.688	20	30		FDEDRO
C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1	ZINC001171842988	961322991	/nfs/dbraw/zinc/32/29/91/961322991.db2.gz	WJBGEPZSTHELIB-ZACQAIPSSA-N	1	0	369.506	1.267	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)C1CN(C(=O)c2ccccc2OC)C1	ZINC001182230926	961617795	/nfs/dbraw/zinc/61/77/95/961617795.db2.gz	BLGVGZMGSBGKHJ-INIZCTEOSA-N	1	0	357.454	1.534	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2coc(=O)c3ccccc23)c1C#N	ZINC001182253074	961659792	/nfs/dbraw/zinc/65/97/92/961659792.db2.gz	QBWNYEHZEHKCJO-UHFFFAOYSA-N	1	0	351.366	1.792	20	30		FDEDRO
CNC(=O)[C@]12C[N@@H+]([C@@H](C)CCCC#N)C[C@H]1N(c1ncccn1)CCC2	ZINC001172495612	961686315	/nfs/dbraw/zinc/68/63/15/961686315.db2.gz	SEKYHPOWWFTSTN-FRQCXROJSA-N	1	0	356.474	1.576	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC(=O)NCc2ccco2)C[C@H]1C#N	ZINC001172977146	961860973	/nfs/dbraw/zinc/86/09/73/961860973.db2.gz	AASLBMVRXVNXJM-KGLIPLIRSA-N	1	0	362.430	1.777	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CN(c3cnccn3)C2)C[C@H]1C#N	ZINC001172987187	961868403	/nfs/dbraw/zinc/86/84/03/961868403.db2.gz	XCSYWCNPERNVDC-HIFRSBDPSA-N	1	0	358.446	1.546	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC3(CNC(=O)O3)CC2)C[C@H]1C#N	ZINC001172989487	961871670	/nfs/dbraw/zinc/87/16/70/961871670.db2.gz	IOYZXMBETWZOPB-KBPBESRZSA-N	1	0	364.446	1.852	20	30		FDEDRO
N#CCC1CCC([N@@H+]2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)CC1	ZINC001173335822	962008786	/nfs/dbraw/zinc/00/87/86/962008786.db2.gz	ZXLKQSPBZKBHDZ-AFMYVXGZSA-N	1	0	371.485	1.857	20	30		FDEDRO
CC(=O)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OCC#N)cc1	ZINC001110304144	962104023	/nfs/dbraw/zinc/10/40/23/962104023.db2.gz	OSVYCCJZQKWCDT-QRQLOZEOSA-N	1	0	370.453	1.289	20	30		FDEDRO
N#CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCCO2)C3)cc1	ZINC001095148730	962104318	/nfs/dbraw/zinc/10/43/18/962104318.db2.gz	HMOJPYRGOXXJMN-XGXHKWSGSA-N	1	0	355.438	1.989	20	30		FDEDRO
COCCN1CCC([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1	ZINC001173428840	962144090	/nfs/dbraw/zinc/14/40/90/962144090.db2.gz	WVQGORMJWZTGIF-UHFFFAOYSA-N	1	0	370.497	1.863	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH+]3CCN(C4COC4)CC3)CC2)cc1	ZINC001173429477	962145616	/nfs/dbraw/zinc/14/56/16/962145616.db2.gz	YDLIQNGQDWNBKC-UHFFFAOYSA-N	1	0	354.454	1.179	20	30		FDEDRO
COC(=O)[C@@H]1COCC[C@@H]1[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1	ZINC001173429880	962146132	/nfs/dbraw/zinc/14/61/32/962146132.db2.gz	YJQXCASNCLIZDK-MSOLQXFVSA-N	1	0	371.437	1.331	20	30		FDEDRO
COCCC[NH+]1CCN(C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1	ZINC001173433195	962154455	/nfs/dbraw/zinc/15/44/55/962154455.db2.gz	NMXQTSGMAOKHOC-UHFFFAOYSA-N	1	0	370.497	1.817	20	30		FDEDRO
CC(=[NH+]NCC(C)(C)S(C)(=O)=O)c1cccc(N2CCOCC2)c1	ZINC000774486731	962239144	/nfs/dbraw/zinc/23/91/44/962239144.db2.gz	YIOSOQSPSTVJJZ-UHFFFAOYSA-N	1	0	353.488	1.660	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C(C)C)C(C)C)C1	ZINC001182670839	962381445	/nfs/dbraw/zinc/38/14/45/962381445.db2.gz	UPPZXMODCUYNER-KURKYZTESA-N	1	0	365.518	1.804	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2ccccc2)C1	ZINC001182670577	962381554	/nfs/dbraw/zinc/38/15/54/962381554.db2.gz	RLIUEQSRGPZSIG-KURKYZTESA-N	1	0	357.454	1.797	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NC(C)C)C1	ZINC001182685114	962433073	/nfs/dbraw/zinc/43/30/73/962433073.db2.gz	QFTFPJNFRRMOSW-OAFZBRQQSA-N	1	0	351.491	1.176	20	30		FDEDRO
CN1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)C1	ZINC001095266011	962724266	/nfs/dbraw/zinc/72/42/66/962724266.db2.gz	ZJIAEEMIRSKZOO-YDZRNGNQSA-N	1	0	354.454	1.110	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C(N)=O)cc2)c1	ZINC001095282133	962763776	/nfs/dbraw/zinc/76/37/76/962763776.db2.gz	OXXODEZIXNJEES-RYRKJORJSA-N	1	0	363.421	1.521	20	30		FDEDRO
CCn1cc(CC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(C#N)c[nH]2)C3)cn1	ZINC001095283154	962765778	/nfs/dbraw/zinc/76/57/78/962765778.db2.gz	JEOHBIPQYUMJHO-RYRKJORJSA-N	1	0	352.442	1.681	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)CCn1cc(Br)ccc1=O	ZINC001183251719	962942034	/nfs/dbraw/zinc/94/20/34/962942034.db2.gz	SHEKTHVOEUNLCP-AWEZNQCLSA-N	1	0	368.275	1.768	20	30		FDEDRO
C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)C2(c3ccccc3C#N)CC2)CC1	ZINC001183294462	962958482	/nfs/dbraw/zinc/95/84/82/962958482.db2.gz	MMCKIBPFSACJEP-QAQDUYKDSA-N	1	0	368.481	1.695	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1CCC	ZINC001175156531	963060214	/nfs/dbraw/zinc/06/02/14/963060214.db2.gz	AJWFEMXCXDCKOA-BZUAXINKSA-N	1	0	366.506	1.699	20	30		FDEDRO
CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1	ZINC001175238152	963105661	/nfs/dbraw/zinc/10/56/61/963105661.db2.gz	WNCNNHBUBMYFRE-FGTMMUONSA-N	1	0	363.502	1.444	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCNC(=O)C1CC1	ZINC001175366473	963171183	/nfs/dbraw/zinc/17/11/83/963171183.db2.gz	UNEPREJQNLSIOL-OIISXLGYSA-N	1	0	351.491	1.368	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=O)N(CC)C1CC1	ZINC001175366310	963171633	/nfs/dbraw/zinc/17/16/33/963171633.db2.gz	UCTHDCGSVUFEDV-NXHRZFHOSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1	ZINC001175380390	963180417	/nfs/dbraw/zinc/18/04/17/963180417.db2.gz	NYJXMXJEUBDPSZ-BHYGNILZSA-N	1	0	361.490	1.090	20	30		FDEDRO
CC(=O)N[C@H](C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1)[C@@H](C)O	ZINC001183702021	963240368	/nfs/dbraw/zinc/24/03/68/963240368.db2.gz	ICTPPSQWUNQONW-XEKGUZQTSA-N	1	0	372.469	1.042	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1cnn(C)n1	ZINC001175630742	963242691	/nfs/dbraw/zinc/24/26/91/963242691.db2.gz	URVPBAAXQJKPKW-SZMVWBNQSA-N	1	0	363.506	1.951	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1cn(C)nn1	ZINC001175630704	963242869	/nfs/dbraw/zinc/24/28/69/963242869.db2.gz	UHYKXXCXOVFGGZ-NJAFHUGGSA-N	1	0	363.506	1.951	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=O)NC1CC1	ZINC001175664160	963260707	/nfs/dbraw/zinc/26/07/07/963260707.db2.gz	QSJFSALXMBLONW-HFTRVMKXSA-N	1	0	351.491	1.511	20	30		FDEDRO
CN1C[C@@H]2CN(C(=O)[C@@H]3CCCCN3Cc3ccccc3C#N)C[C@@H]2C1=O	ZINC001183830982	963301880	/nfs/dbraw/zinc/30/18/80/963301880.db2.gz	KFANHPXULYMUKO-QYZOEREBSA-N	1	0	366.465	1.459	20	30		FDEDRO
N#Cc1ccccc1CN1CCCC[C@H]1C(=O)n1cc(C[NH3+])cnc1=N	ZINC001183842994	963307899	/nfs/dbraw/zinc/30/78/99/963307899.db2.gz	XSNJOTOIKDEJMN-KRWDZBQOSA-N	1	0	350.426	1.388	20	30		FDEDRO
C#C[C@H](NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)[C@H]1CCCO1	ZINC000773557231	963392179	/nfs/dbraw/zinc/39/21/79/963392179.db2.gz	FFPYNGMUCMIIHO-ZWKOTPCHSA-N	1	0	362.518	1.417	20	30		FDEDRO
C=C1CC(C)(C(=O)N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)C1	ZINC001184783041	963717248	/nfs/dbraw/zinc/71/72/48/963717248.db2.gz	QKYTYIIYNDCRBQ-KRWDZBQOSA-N	1	0	373.501	1.710	20	30		FDEDRO
COCC[N@H+](C)CCOc1cccc(CNc2cnc(C#N)c(C#N)n2)c1	ZINC001185220822	963863329	/nfs/dbraw/zinc/86/33/29/963863329.db2.gz	DWQAFOVSGDVLQT-UHFFFAOYSA-N	1	0	366.425	1.789	20	30		FDEDRO
O=C(C#Cc1cccnc1)Nc1ccc(N2CC[NH+](CCO)CC2)cc1	ZINC001177778349	963950832	/nfs/dbraw/zinc/95/08/32/963950832.db2.gz	UYDJPNFYMZYOHG-UHFFFAOYSA-N	1	0	350.422	1.186	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc(-n3cncn3)c1)C2	ZINC001111502892	963996926	/nfs/dbraw/zinc/99/69/26/963996926.db2.gz	YUSQRODXEIHEQB-ZACQAIPSSA-N	1	0	368.441	1.200	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2cccc(C)c2)C1	ZINC001185759155	964090166	/nfs/dbraw/zinc/09/01/66/964090166.db2.gz	PSKYMDZIKAAGAS-KURKYZTESA-N	1	0	357.454	1.715	20	30		FDEDRO
C=C(C)CNCc1cn([C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1	ZINC001185941653	964206229	/nfs/dbraw/zinc/20/62/29/964206229.db2.gz	BGKMOHIJIVIULS-KBAYOESNSA-N	1	0	360.506	1.448	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCCCCCC[NH2+][C@H]1CCN(C)C1=O	ZINC001178506393	964260853	/nfs/dbraw/zinc/26/08/53/964260853.db2.gz	SIQNBFJMYDHVGD-IKGGRYGDSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCCCCCC[NH2+][C@@H](C)c1nnnn1C	ZINC001178509012	964261705	/nfs/dbraw/zinc/26/17/05/964261705.db2.gz	BUXINWSALCVVFU-XHSDSOJGSA-N	1	0	364.494	1.519	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)NC[C@@H]1C[N@H+](CCO)CC[C@@H]1c1ccc(F)cc1	ZINC001186204097	964351523	/nfs/dbraw/zinc/35/15/23/964351523.db2.gz	YOQZNIFDWPWPHA-KVSKMBFKSA-N	1	0	364.461	1.931	20	30		FDEDRO
COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)[C@H]1C	ZINC001178721569	964359820	/nfs/dbraw/zinc/35/98/20/964359820.db2.gz	FCOUNMFYMBKARU-HCXYKTFWSA-N	1	0	370.497	1.383	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N(CC)C2CC2)[C@@H]1C	ZINC001178725442	964362429	/nfs/dbraw/zinc/36/24/29/964362429.db2.gz	KNESBGGDEHHLGL-RANZSIQMSA-N	1	0	363.502	1.558	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2ccccc2)C1	ZINC001186243704	964370369	/nfs/dbraw/zinc/37/03/69/964370369.db2.gz	PLQDHLFNRINQJJ-AOIWGVFYSA-N	1	0	357.454	1.797	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O	ZINC001178750449	964425952	/nfs/dbraw/zinc/42/59/52/964425952.db2.gz	SMLGRXUNWNSZFP-XHSDSOJGSA-N	1	0	367.490	1.371	20	30		FDEDRO
C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC12CCOCC2	ZINC001186402768	964473899	/nfs/dbraw/zinc/47/38/99/964473899.db2.gz	UFYOUTUBJWNNNS-GVDBMIGSSA-N	1	0	358.486	1.934	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC12CCOCC2	ZINC001186402767	964474591	/nfs/dbraw/zinc/47/45/91/964474591.db2.gz	UFYOUTUBJWNNNS-BRWVUGGUSA-N	1	0	358.486	1.934	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC12CCOCC2	ZINC001186433320	964507956	/nfs/dbraw/zinc/50/79/56/964507956.db2.gz	LYNWUHIRLKMEET-XWTMOSNGSA-N	1	0	364.486	1.069	20	30		FDEDRO
C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC12CCOCC2	ZINC001186511659	964538407	/nfs/dbraw/zinc/53/84/07/964538407.db2.gz	HMCTVGSLSJJKBJ-GBESFXJTSA-N	1	0	370.497	1.392	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)COCC)[C@@H]2C1	ZINC001186733846	964693660	/nfs/dbraw/zinc/69/36/60/964693660.db2.gz	SDMQOZVBXYANMB-YESZJQIVSA-N	1	0	351.491	1.369	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2cccc(C(N)=O)c2)C1	ZINC000962321908	1013531432	/nfs/dbraw/zinc/53/14/32/1013531432.db2.gz	QJWPKWXVJLRTDM-SYNTWQANSA-N	1	0	357.454	1.361	20	30		FDEDRO
CO[C@@H](C[N@@H+]1C[C@@H]2CCN(C(=O)CSCC#N)[C@@H]2C1)C1CCCC1	ZINC001186917447	964876686	/nfs/dbraw/zinc/87/66/86/964876686.db2.gz	PKXXEMFKVRFQRO-BBWFWOEESA-N	1	0	351.516	1.981	20	30		FDEDRO
C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1	ZINC001179572769	964903456	/nfs/dbraw/zinc/90/34/56/964903456.db2.gz	CJCKSGKAEZFZRM-SJORKVTESA-N	1	0	353.507	1.855	20	30		FDEDRO
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([NH3+])(CCOC)CC1	ZINC001179590220	964918973	/nfs/dbraw/zinc/91/89/73/964918973.db2.gz	UOEHWIGTDLCARX-AWEZNQCLSA-N	1	0	353.463	1.259	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+]C[C@H]1CCNC(=O)CC1	ZINC001179633379	964940541	/nfs/dbraw/zinc/94/05/41/964940541.db2.gz	DLURPXPJRMAVOX-KURKYZTESA-N	1	0	365.518	1.760	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2OC)[C@H]1C	ZINC001179685654	964943991	/nfs/dbraw/zinc/94/39/91/964943991.db2.gz	GYTNUVDCAVOPEB-OWLYRPNTSA-N	1	0	369.465	1.127	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3=COCCC3)[C@@H]2C1	ZINC001187192305	965073254	/nfs/dbraw/zinc/07/32/54/965073254.db2.gz	WSFFIPGRMISJMI-FUHWJXTLSA-N	1	0	359.470	1.414	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C)nc1	ZINC000957591754	1013556970	/nfs/dbraw/zinc/55/69/70/1013556970.db2.gz	UHLLFKJQVHUXEI-CRAIPNDOSA-N	1	0	368.481	1.514	20	30		FDEDRO
CC(C)[C@@H](C)NC(=O)CN1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1	ZINC001187456367	965371000	/nfs/dbraw/zinc/37/10/00/965371000.db2.gz	SGCGDZHXMIFVSK-UKPHBRMFSA-N	1	0	357.458	1.193	20	30		FDEDRO
CCNC(=O)CC(=O)N1CC[C@H]2CN(Cc3ccc(F)c(C#N)c3)C[C@H]21	ZINC001187597816	965517728	/nfs/dbraw/zinc/51/77/28/965517728.db2.gz	DRKWULUEJVBTKD-WMLDXEAASA-N	1	0	358.417	1.256	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]32)c[nH]1	ZINC001187569219	965535459	/nfs/dbraw/zinc/53/54/59/965535459.db2.gz	BCEFDUAQOXQRMB-LEWSCRJBSA-N	1	0	356.348	1.346	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H](CC#N)C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1	ZINC001180781475	965593059	/nfs/dbraw/zinc/59/30/59/965593059.db2.gz	NQBPBHCUUFWWRI-CABCVRRESA-N	1	0	366.462	1.117	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)COCc3ccco3)C[C@H]21	ZINC001187714504	965658091	/nfs/dbraw/zinc/65/80/91/965658091.db2.gz	SNPWDOYISUHACP-YQVWRLOYSA-N	1	0	360.454	1.493	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(OC)c(C#N)c3)C[C@H]21	ZINC001187755734	965718996	/nfs/dbraw/zinc/71/89/96/965718996.db2.gz	RDGFFOLGEHOXAJ-YRISNDGFSA-N	1	0	369.465	1.927	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](C[C@@H](O)COc3ccccc3)C[C@H]21	ZINC001187820610	965763185	/nfs/dbraw/zinc/76/31/85/965763185.db2.gz	PCOBITGCERMTJN-NLWGTHIKSA-N	1	0	354.450	1.372	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@@H+](CCOc3ccccc3F)C[C@H]21	ZINC001187881835	965881218	/nfs/dbraw/zinc/88/12/18/965881218.db2.gz	DWELIXGYVAQVQJ-FUHWJXTLSA-N	1	0	360.429	1.777	20	30		FDEDRO
C=CC[NH+](CC=C)CCN1CCN(S(=O)(=O)c2nccs2)CC1	ZINC001187887370	965890057	/nfs/dbraw/zinc/89/00/57/965890057.db2.gz	WIWVUISLFFCREX-UHFFFAOYSA-N	1	0	356.517	1.123	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(CC)c1)C2	ZINC001110397549	965977970	/nfs/dbraw/zinc/97/79/70/965977970.db2.gz	NZEJQXHWIQNNAT-KURKYZTESA-N	1	0	373.501	1.663	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccnc(N4CCCC4)n3)[C@@H]2C1	ZINC001188368904	966239388	/nfs/dbraw/zinc/23/93/88/966239388.db2.gz	BUFMJIUXJSDJLM-FUHWJXTLSA-N	1	0	371.485	1.426	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3coc(S(N)(=O)=O)c3)[C@@H]2C1	ZINC001188369616	966240990	/nfs/dbraw/zinc/24/09/90/966240990.db2.gz	NHCSKLKUQWOSOH-VNHYZAJKSA-N	1	0	367.471	1.428	20	30		FDEDRO
COCC#CCN1C[C@@H]2CCN(C(=O)c3cn(-c4ccccc4)nn3)[C@@H]2C1	ZINC001188449689	966320507	/nfs/dbraw/zinc/32/05/07/966320507.db2.gz	AKHITKGQDOBMTQ-QFBILLFUSA-N	1	0	365.437	1.063	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3cccnc3)[C@@H]2C1	ZINC001188464608	966336663	/nfs/dbraw/zinc/33/66/63/966336663.db2.gz	WORGSFLQRFQXSN-RYQLBKOJSA-N	1	0	356.470	1.238	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3ccc(OC)nc3)[C@@H]2C1	ZINC001188518506	966353997	/nfs/dbraw/zinc/35/39/97/966353997.db2.gz	TURJIXVGCLYCQF-ZWKOTPCHSA-N	1	0	357.454	1.205	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C(F)F)nn3C)[C@@H]2C1	ZINC001188543783	966412483	/nfs/dbraw/zinc/41/24/83/966412483.db2.gz	MRDBULZPEVRIEP-SWLSCSKDSA-N	1	0	354.401	1.707	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cnc4ccc(C)cc43)[C@@H]2C1	ZINC001188925896	966633569	/nfs/dbraw/zinc/63/35/69/966633569.db2.gz	IGDYMDDOLNUBOH-FXAWDEMLSA-N	1	0	366.465	1.527	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1	ZINC000964520927	1013676490	/nfs/dbraw/zinc/67/64/90/1013676490.db2.gz	NPXFAWLIOAVKPW-KURKYZTESA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C)c(C(N)=O)cn3)[C@@H]2C1	ZINC001189174503	966831481	/nfs/dbraw/zinc/83/14/81/966831481.db2.gz	JTGNODKMCRFZRH-RLFYNMQTSA-N	1	0	356.470	1.990	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)C(=O)NCC(F)(F)F)[C@@H]2C1	ZINC001189590373	967093604	/nfs/dbraw/zinc/09/36/04/967093604.db2.gz	HJCUZWLDEOOQIV-UONOGXRCSA-N	1	0	361.408	1.944	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)S(=O)(=O)CC)[C@@H]2C1	ZINC001189627915	967126665	/nfs/dbraw/zinc/12/66/65/967126665.db2.gz	BYTQCOWRBCQXMT-HRCADAONSA-N	1	0	357.520	1.155	20	30		FDEDRO
N#CCCOCCN1CC[N@H+](CCOCCC#N)Cc2cc(O)ccc21	ZINC000852252166	967153809	/nfs/dbraw/zinc/15/38/09/967153809.db2.gz	DCWNLIMYWRAOPG-UHFFFAOYSA-N	1	0	358.442	1.875	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CC(=O)N(c2ccc(OC)cc2)C1	ZINC000852360273	967250338	/nfs/dbraw/zinc/25/03/38/967250338.db2.gz	WXWZCASPQRCRQX-HNNXBMFYSA-N	1	0	358.442	1.055	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCn2ncc(Br)c2C1	ZINC000852360394	967251529	/nfs/dbraw/zinc/25/15/29/967251529.db2.gz	XZPRAJRGJGBKAF-UHFFFAOYSA-N	1	0	354.252	1.126	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cccn4c(=O)[nH]nc34)[C@@H]2C1	ZINC001189779691	967262351	/nfs/dbraw/zinc/26/23/51/967262351.db2.gz	MSXRTQAALSIIQJ-OFQRWUPVSA-N	1	0	355.442	1.936	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852448187	967322423	/nfs/dbraw/zinc/32/24/23/967322423.db2.gz	HLROETDMPQFEGY-CYBMUJFWSA-N	1	0	353.344	1.236	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)c3cccc(Cl)c3)[C@@H]2C1	ZINC001189913686	967374392	/nfs/dbraw/zinc/37/43/92/967374392.db2.gz	VUWRTTXAJFAONK-JLJPHGGASA-N	1	0	359.857	1.624	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3COc4ccccc4O3)[C@@H]2C1	ZINC001190019432	967468279	/nfs/dbraw/zinc/46/82/79/967468279.db2.gz	AUMDOQITHRYVAQ-FCEWJHQRSA-N	1	0	358.438	1.562	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc4CO3)[C@@H]2C1	ZINC001189992636	967484022	/nfs/dbraw/zinc/48/40/22/967484022.db2.gz	OSSIHZKJODDCKV-SXLOBPIMSA-N	1	0	354.450	1.310	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2OC)CC1)C1CCOCC1	ZINC000852638702	967490565	/nfs/dbraw/zinc/49/05/65/967490565.db2.gz	FMWNUAQFCQXSTN-MRXNPFEDSA-N	1	0	358.442	1.350	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)[C@@H]2C1	ZINC001190081374	967548605	/nfs/dbraw/zinc/54/86/05/967548605.db2.gz	JOOOJMNWRFYWBH-HRCADAONSA-N	1	0	362.474	1.254	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)[C@@H]2C1	ZINC001190140763	967555204	/nfs/dbraw/zinc/55/52/04/967555204.db2.gz	XNDPEWXXBUZDAR-GOEBONIOSA-N	1	0	360.458	1.379	20	30		FDEDRO
CCc1noc(CCCC(=O)N2CC[C@H]3C[N@H+](CC#CCOC)C[C@H]32)n1	ZINC001190169375	967621019	/nfs/dbraw/zinc/62/10/19/967621019.db2.gz	ZSTRXHZKBXVDIU-JKSUJKDBSA-N	1	0	360.458	1.137	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1	ZINC000852813166	967626375	/nfs/dbraw/zinc/62/63/75/967626375.db2.gz	DVYLSDXQTHYBGC-UHFFFAOYSA-N	1	0	373.884	1.556	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1	ZINC000852823731	967635461	/nfs/dbraw/zinc/63/54/61/967635461.db2.gz	JWRZTOHYMWFSPV-LJQANCHMSA-N	1	0	369.465	1.215	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCCC[C@H]1CNC(=O)c1ccccc1	ZINC000852827910	967638390	/nfs/dbraw/zinc/63/83/90/967638390.db2.gz	CCSMVOFBQJVOGW-IBGZPJMESA-N	1	0	353.466	1.801	20	30		FDEDRO
C[C@H](NC(=O)C#CC1CC[NH2+]CC1)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000852831942	967641835	/nfs/dbraw/zinc/64/18/35/967641835.db2.gz	ADXVSBMXPBKJOO-AWEZNQCLSA-N	1	0	363.483	1.117	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N(CCCN1CCOCC1)Cc1ccncc1	ZINC000852882531	967687118	/nfs/dbraw/zinc/68/71/18/967687118.db2.gz	KOXYWECORNRPGO-UHFFFAOYSA-N	1	0	370.497	1.136	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c(C)n[nH]c3C)[C@@H]2C1	ZINC001190241168	967689544	/nfs/dbraw/zinc/68/95/44/967689544.db2.gz	PRUJTFGKMUPKHU-DKSSEZFCSA-N	1	0	358.486	1.388	20	30		FDEDRO
Cc1cc2c(ncnc2N2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)s1	ZINC000852887861	967690406	/nfs/dbraw/zinc/69/04/06/967690406.db2.gz	QOKWQFKIEUTBOJ-UHFFFAOYSA-N	1	0	369.494	1.651	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCC(CNC(=O)c2ccccn2)CC1	ZINC000852890325	967692969	/nfs/dbraw/zinc/69/29/69/967692969.db2.gz	XLGBQJUUAVHUFV-UHFFFAOYSA-N	1	0	354.454	1.053	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CCN(C(=O)C[C@@H]([NH3+])C4CC4)CC3)n[nH]2)cc1	ZINC000852906697	967698524	/nfs/dbraw/zinc/69/85/24/967698524.db2.gz	OYJUZOPLJMZNBC-QGZVFWFLSA-N	1	0	364.453	1.724	20	30		FDEDRO
C#CC[C@H]([NH2+]CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1)c1ccccc1	ZINC000775399177	967954729	/nfs/dbraw/zinc/95/47/29/967954729.db2.gz	QHZSASMMQQTQTP-KRWDZBQOSA-N	1	0	371.462	1.935	20	30		FDEDRO
C#CCCCOc1cccnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000853448136	968018470	/nfs/dbraw/zinc/01/84/70/968018470.db2.gz	DYEAQTLGAPXSSF-KRWDZBQOSA-N	1	0	356.470	1.617	20	30		FDEDRO
C=CCC1(S(=O)(=O)N2CCC[C@@]3(C2)COCC[N@@H+](CCOC)C3)CC1	ZINC001190784292	968089142	/nfs/dbraw/zinc/08/91/42/968089142.db2.gz	RECWUUSHRVCAQI-QGZVFWFLSA-N	1	0	372.531	1.486	20	30		FDEDRO
CCOC(=O)[C@H](C#N)NC(=O)c1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC001190865671	968142584	/nfs/dbraw/zinc/14/25/84/968142584.db2.gz	GOEJCRADZQDWJM-KRWDZBQOSA-N	1	0	358.442	1.009	20	30		FDEDRO
C#Cc1ccccc1C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1	ZINC001191107637	968277704	/nfs/dbraw/zinc/27/77/04/968277704.db2.gz	VLVRDXBOVIMFRS-YTQUADARSA-N	1	0	362.433	1.729	20	30		FDEDRO
C=CCN1CC[C@H]([NH+]2CCC(c3nccc(N4CCOCC4)n3)CC2)C1=O	ZINC000854102799	968595308	/nfs/dbraw/zinc/59/53/08/968595308.db2.gz	DORWFEHDHNDWAR-KRWDZBQOSA-N	1	0	371.485	1.280	20	30		FDEDRO
CSC[C@H](C)C(=O)N[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@H]1O	ZINC001191814049	968764832	/nfs/dbraw/zinc/76/48/32/968764832.db2.gz	BSSUQMWLOXJCFX-IUIKQTSFSA-N	1	0	351.447	1.358	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@H]([NH+](C)C)C2)c1	ZINC000854632102	969036351	/nfs/dbraw/zinc/03/63/51/969036351.db2.gz	CZJDXFWWUQIZIW-ROUUACIJSA-N	1	0	356.470	1.370	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C(F)F)cc2)C[C@H]1O	ZINC001192530697	969175927	/nfs/dbraw/zinc/17/59/27/969175927.db2.gz	PWDUAIJPODQOIM-RKVPGOIHSA-N	1	0	354.397	1.613	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C3CCC3)cc2)C[C@H]1O	ZINC001192891311	969351008	/nfs/dbraw/zinc/35/10/08/969351008.db2.gz	KFZDHMZLMIGDKM-CDHQVMDDSA-N	1	0	356.466	1.654	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)C2CCCC2)C1	ZINC001193201570	969533642	/nfs/dbraw/zinc/53/36/42/969533642.db2.gz	MZPJAQSKGOXLGW-IAGOWNOFSA-N	1	0	353.507	1.425	20	30		FDEDRO
COc1ccc(CC[NH+]2CCC(NS(=O)(=O)[C@H](C)C#N)CC2)cc1	ZINC001193182389	969555486	/nfs/dbraw/zinc/55/54/86/969555486.db2.gz	MDKMGRLKMIWNBE-CQSZACIVSA-N	1	0	351.472	1.534	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cnn(C)c2C)C1	ZINC001193345880	969646790	/nfs/dbraw/zinc/64/67/90/969646790.db2.gz	YHLIJVUATRSLCH-QZTJIDSGSA-N	1	0	350.507	1.793	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCNC(=O)NC(C)(C)C	ZINC001110459417	969711793	/nfs/dbraw/zinc/71/17/93/969711793.db2.gz	JLLATKSOCAJFEU-ZACQAIPSSA-N	1	0	362.518	1.999	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCCCCC2=O)C1	ZINC001193519785	969733534	/nfs/dbraw/zinc/73/35/34/969733534.db2.gz	BVEONZSZBWQQFC-BRWVUGGUSA-N	1	0	351.491	1.295	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cccc(N(C)C)c3)C[C@H]2O)CCC1	ZINC001193685288	969811214	/nfs/dbraw/zinc/81/12/14/969811214.db2.gz	JVONLKIMZADSLO-RTBURBONSA-N	1	0	355.482	1.608	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C)C[C@H]2O)CCOCC1	ZINC001193718447	969840348	/nfs/dbraw/zinc/84/03/48/969840348.db2.gz	FETBGCHYZYKZPS-RTBURBONSA-N	1	0	356.466	1.476	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1O	ZINC001193902420	969915180	/nfs/dbraw/zinc/91/51/80/969915180.db2.gz	RFBLRTNWDOMLAR-IPMKNSEASA-N	1	0	356.470	1.094	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CC(F)F)nc2C)C1	ZINC001193971550	969942702	/nfs/dbraw/zinc/94/27/02/969942702.db2.gz	XYHRPYARJMFJBM-HZPDHXFCSA-N	1	0	370.444	1.978	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3[nH]c(=O)[nH]c3c2)C1	ZINC001194282028	970107042	/nfs/dbraw/zinc/10/70/42/970107042.db2.gz	CAOKGAKAHDKVLP-HUUCEWRRSA-N	1	0	361.446	1.409	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cc1	ZINC000855166586	970191657	/nfs/dbraw/zinc/19/16/57/970191657.db2.gz	MFNRDBNXXIXJQY-HNNXBMFYSA-N	1	0	363.483	1.201	20	30		FDEDRO
C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@]3(CC[N@@H+](C)C3)C2)c1	ZINC001194505889	970223849	/nfs/dbraw/zinc/22/38/49/970223849.db2.gz	XKORYLRXZBZPPV-HXUWFJFHSA-N	1	0	354.454	1.734	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](NC(C)=O)C2CCCC2)C1	ZINC001194545967	970243294	/nfs/dbraw/zinc/24/32/94/970243294.db2.gz	UFLVPAGUNZHXEV-QRVBRYPASA-N	1	0	365.518	1.589	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CCOC)n2)C1	ZINC001194575877	970256736	/nfs/dbraw/zinc/25/67/36/970256736.db2.gz	BXQNXJHYABUEKI-IAGOWNOFSA-N	1	0	352.479	1.275	20	30		FDEDRO
N#Cc1cccc(OCC(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1	ZINC000855402078	970333266	/nfs/dbraw/zinc/33/32/66/970333266.db2.gz	UFIWZOZENPRDBK-IBGZPJMESA-N	1	0	365.433	1.820	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC3(C)C)C[C@H]2C)CC1	ZINC000957897115	1014005346	/nfs/dbraw/zinc/00/53/46/1014005346.db2.gz	AAJAJACNPKSYOI-KBAYOESNSA-N	1	0	359.514	1.731	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C)c(OC)c1	ZINC001110465535	970659962	/nfs/dbraw/zinc/65/99/62/970659962.db2.gz	HYHMSTOFNYZAHH-KURKYZTESA-N	1	0	369.465	1.365	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c(C)nn(C)c2C)C1	ZINC001195109789	970694154	/nfs/dbraw/zinc/69/41/54/970694154.db2.gz	JIKKDWACSYNXBA-RTBURBONSA-N	1	0	362.518	1.877	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccc(OC)cc1	ZINC001110466178	970717866	/nfs/dbraw/zinc/71/78/66/970717866.db2.gz	IIIFHCKOJPRDEW-QRQLOZEOSA-N	1	0	369.465	1.099	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cncn3)nc2)C1	ZINC001195149018	970718739	/nfs/dbraw/zinc/71/87/39/970718739.db2.gz	HNBIFAWIJPBPAE-IAGOWNOFSA-N	1	0	370.457	1.184	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCOc2ccccc2C)C1	ZINC001195189946	970731048	/nfs/dbraw/zinc/73/10/48/970731048.db2.gz	MRTYFAMPYMSGHS-QZTJIDSGSA-N	1	0	362.470	1.518	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+](CCCCCCC)C[C@H]1O	ZINC001197903418	972542279	/nfs/dbraw/zinc/54/22/79/972542279.db2.gz	JUWBUZDZWHELAF-QZTJIDSGSA-N	1	0	359.470	1.839	20	30		FDEDRO
C#C[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[C@H]1CCCO1	ZINC000775797570	972552655	/nfs/dbraw/zinc/55/26/55/972552655.db2.gz	DCIUDLWYZTVDPZ-OSJCABNKSA-N	1	0	373.497	1.940	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC/C=C/c3ccccc3)C[C@H]2O)nc1	ZINC001197926478	972554158	/nfs/dbraw/zinc/55/41/58/972554158.db2.gz	NIFQMCNDQMEJLN-KGHJMRRFSA-N	1	0	361.445	1.941	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N[C@@H]1CN(Cc2cc(F)ccc2C#N)C[C@H]1O	ZINC001197948895	972588130	/nfs/dbraw/zinc/58/81/30/972588130.db2.gz	NEOBRAMMEKMTOD-QZTJIDSGSA-N	1	0	362.449	1.091	20	30		FDEDRO
C=CC[NH+](CC=C)CCN1CCN(S(=O)(=O)c2cc(C)ccn2)CC1	ZINC001197992645	972666101	/nfs/dbraw/zinc/66/61/01/972666101.db2.gz	ACVBPYXDKQACAB-UHFFFAOYSA-N	1	0	364.515	1.370	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000645036221	1014048126	/nfs/dbraw/zinc/04/81/26/1014048126.db2.gz	RSZMYWSRPURJMC-JQHSSLGASA-N	1	0	350.507	1.387	20	30		FDEDRO
CCCCCCCCC(=O)N[C@@H]1CN([C@@H]2CCN(CC)C2=O)C[C@H]1O	ZINC001198087508	972740454	/nfs/dbraw/zinc/74/04/54/972740454.db2.gz	DUNSKKHVRGNVIV-BRWVUGGUSA-N	1	0	353.507	1.519	20	30		FDEDRO
C=CCn1c(=O)c2ccc(C(=O)N(C)CCC[NH+](C)C)cc2[n-]c1=S	ZINC000775817207	972747045	/nfs/dbraw/zinc/74/70/45/972747045.db2.gz	KWGUSSPUVBVILQ-UHFFFAOYSA-N	1	0	360.483	1.895	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@](C)(C(=O)OC)c2cccc([N+](=O)[O-])c2)CC1	ZINC000863300064	972774823	/nfs/dbraw/zinc/77/48/23/972774823.db2.gz	CWQCOAOGWKJKLG-IBGZPJMESA-N	1	0	373.409	1.444	20	30		FDEDRO
C[C@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCOCC1)C(=O)N(C)CCC#N	ZINC000863384248	972863807	/nfs/dbraw/zinc/86/38/07/972863807.db2.gz	OEYFWXJUZAOOKX-AWEZNQCLSA-N	1	0	368.478	1.410	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CC(C)(C)CO3)C[C@H]2O)CCOCC1	ZINC001198239708	972928436	/nfs/dbraw/zinc/92/84/36/972928436.db2.gz	RHYUXXBWTWKIHQ-GVDBMIGSSA-N	1	0	366.502	1.336	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C	ZINC000645114398	1014073028	/nfs/dbraw/zinc/07/30/28/1014073028.db2.gz	BSTFNCBLKMEEBU-JKSUJKDBSA-N	1	0	363.458	1.380	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]Cc2ccccc2N2CCOCC2)CCOCC1	ZINC000863551234	973007201	/nfs/dbraw/zinc/00/72/01/973007201.db2.gz	JSZXSNWEYZTTDX-GOSISDBHSA-N	1	0	359.470	1.684	20	30		FDEDRO
Cc1ccc(N2CC[C@H]([NH2+]C[C@H](O)CC3(C#N)CCOCC3)C2=O)cc1	ZINC000863551511	973007736	/nfs/dbraw/zinc/00/77/36/973007736.db2.gz	GLZBHZVFKLXXAV-MSOLQXFVSA-N	1	0	357.454	1.761	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@H](O)COc2ccccc2C#N)C1	ZINC000863553189	973010297	/nfs/dbraw/zinc/01/02/97/973010297.db2.gz	WNHINJCGRPQMOH-CVEARBPZSA-N	1	0	361.442	1.897	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]CCCNC(=O)/C=C/c2ccccc2)CCOCC1	ZINC000863555362	973011898	/nfs/dbraw/zinc/01/18/98/973011898.db2.gz	QRXJGXDDNQUVGK-UCFODXPJSA-N	1	0	371.481	1.867	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1	ZINC000119763519	973344965	/nfs/dbraw/zinc/34/49/65/973344965.db2.gz	WDUIBFVACQORIR-QAPCUYQASA-N	1	0	357.454	1.826	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2nc(C(C)(C)C)no2)C1	ZINC001198622906	973366084	/nfs/dbraw/zinc/36/60/84/973366084.db2.gz	USLKBOPTRPMTGP-RRFJBIMHSA-N	1	0	364.490	1.816	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(Cn2nc(CC#N)n(C)c2=S)C1	ZINC000794637491	973472565	/nfs/dbraw/zinc/47/25/65/973472565.db2.gz	UKIXXLBBROXMJP-CQSZACIVSA-N	1	0	352.508	1.407	20	30		FDEDRO
Cn1c(CC#N)nn(CN2CCC(CC[NH+]3CCOCC3)CC2)c1=S	ZINC000794633569	973495075	/nfs/dbraw/zinc/49/50/75/973495075.db2.gz	VFNXVJYPVNYMFG-UHFFFAOYSA-N	1	0	364.519	1.409	20	30		FDEDRO
N#Cc1c[nH]c2cc(C(=O)N3CCN(CC[NH+]4CCCC4)CC3)ccc12	ZINC000864630234	973702009	/nfs/dbraw/zinc/70/20/09/973702009.db2.gz	GTWQOCCFEJWMNQ-UHFFFAOYSA-N	1	0	351.454	1.893	20	30		FDEDRO
C=C[C@H](C(=O)N[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1O)c1ccccc1	ZINC001198956129	973740161	/nfs/dbraw/zinc/74/01/61/973740161.db2.gz	PWQOCBRBNXMCRW-XUVXKRRUSA-N	1	0	368.481	1.631	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(OCCOC)c2)C1	ZINC001198983414	973780664	/nfs/dbraw/zinc/78/06/64/973780664.db2.gz	VKYKWPCUNJUDTE-ATZDWAIDSA-N	1	0	362.470	1.841	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCCc2cccc(F)c2)C[C@H]1O	ZINC001199317999	974184292	/nfs/dbraw/zinc/18/42/92/974184292.db2.gz	IGHZTVLZJCLAJM-BMGDILEWSA-N	1	0	350.434	1.511	20	30		FDEDRO
C=CCC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)c1ccccc1	ZINC001199566904	974372396	/nfs/dbraw/zinc/37/23/96/974372396.db2.gz	HXWYASSBEPJYEA-VAMGGRTRSA-N	1	0	368.481	1.794	20	30		FDEDRO
N#Cc1cc(C(F)(F)F)cc(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)n1	ZINC000865631381	974392879	/nfs/dbraw/zinc/39/28/79/974392879.db2.gz	DIKPBSMRVBGEDS-AWEZNQCLSA-N	1	0	367.375	1.891	20	30		FDEDRO
C#C[C@@H]([NH2+]C1CC(C(=O)OC(C)C)(C(=O)OC(C)C)C1)[C@H]1CCCO1	ZINC000776003031	974432992	/nfs/dbraw/zinc/43/29/92/974432992.db2.gz	VDPTXZPXSJFPEV-HZPDHXFCSA-N	1	0	351.443	1.809	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCOCC(F)(F)F	ZINC001110546436	974639730	/nfs/dbraw/zinc/63/97/30/974639730.db2.gz	XGKVUQHFFHKJSI-KFWWJZLASA-N	1	0	362.392	1.717	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1COc2ccccc2O1	ZINC001110550814	974733155	/nfs/dbraw/zinc/73/31/55/974733155.db2.gz	HERLVZYFRXMVSS-XDNAFOTISA-N	1	0	370.449	1.588	20	30		FDEDRO
COCC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2CC(C)(C)C)CCCO1	ZINC001200546794	974815424	/nfs/dbraw/zinc/81/54/24/974815424.db2.gz	JPNHMICYKANANE-OKZBNKHCSA-N	1	0	350.503	1.916	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)N[C@@H](C)C(C)C)CC1	ZINC001200627850	974847867	/nfs/dbraw/zinc/84/78/67/974847867.db2.gz	HMWPROCKPUBKLV-JQHSSLGASA-N	1	0	365.518	1.709	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC#Cc2ccccc2)C1	ZINC001201437938	975060578	/nfs/dbraw/zinc/06/05/78/975060578.db2.gz	IYAFZXIZMFDVBB-HBMCJLEFSA-N	1	0	368.477	1.836	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2c2ccccc2)CCCO1	ZINC001201611823	975097455	/nfs/dbraw/zinc/09/74/55/975097455.db2.gz	INXCAISTFVMOCN-VAMGGRTRSA-N	1	0	356.466	1.790	20	30		FDEDRO
C#C[C@H](NC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1)[C@@H]1CCCO1	ZINC000776229455	975210132	/nfs/dbraw/zinc/21/01/32/975210132.db2.gz	WNKCTIPOXYGTSD-OALUTQOASA-N	1	0	362.518	1.367	20	30		FDEDRO
C#C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)[C@@H]1CCCO1	ZINC000776229256	975210694	/nfs/dbraw/zinc/21/06/94/975210694.db2.gz	VPNCSTNBFMNPRI-WCIQWLHISA-N	1	0	371.481	1.349	20	30		FDEDRO
CN1CC[NH+](C2CCN(c3cc(Br)cnc3C#N)CC2)CC1	ZINC000866213723	975492023	/nfs/dbraw/zinc/49/20/23/975492023.db2.gz	WSXKEYLDEKKXSN-UHFFFAOYSA-N	1	0	364.291	1.932	20	30		FDEDRO
C#C[C@H]1CCCN(C(=O)C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)C1	ZINC000847562329	975830770	/nfs/dbraw/zinc/83/07/70/975830770.db2.gz	JECVBKYIFHYBKK-WMLDXEAASA-N	1	0	355.438	1.882	20	30		FDEDRO
CCN(CC)C(=O)C[NH+]1CCC(NC(=O)COc2cccc(C#N)c2)CC1	ZINC000848064729	976297698	/nfs/dbraw/zinc/29/76/98/976297698.db2.gz	YBBNMRFGOHAHIK-UHFFFAOYSA-N	1	0	372.469	1.386	20	30		FDEDRO
O=C(N[C@H]1CCCN(O)C1=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F	ZINC000848133069	976359644	/nfs/dbraw/zinc/35/96/44/976359644.db2.gz	RZGCKBHTIBIVNT-CABCVRRESA-N	1	0	367.396	1.640	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	ZINC000848412237	976723226	/nfs/dbraw/zinc/72/32/26/976723226.db2.gz	ZRXQFMVFDBZRCX-WMZOPIPTSA-N	1	0	371.485	1.416	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1cc(C(=O)OC)cc(C)c1F	ZINC000848457187	976774602	/nfs/dbraw/zinc/77/46/02/976774602.db2.gz	VNZMPSFUGDCWHC-UHFFFAOYSA-N	1	0	356.419	1.154	20	30		FDEDRO
C#C[C@@H]1CCCN(CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)C1	ZINC000848494815	976841465	/nfs/dbraw/zinc/84/14/65/976841465.db2.gz	SLLVENDADJBCJT-QRQLOZEOSA-N	1	0	351.450	1.406	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N2CCC(N3CC[NH+](C)CC3)CC2)c1C#N	ZINC000867816692	976928954	/nfs/dbraw/zinc/92/89/54/976928954.db2.gz	HGWSLBYEPADDGY-UHFFFAOYSA-N	1	0	362.499	1.267	20	30		FDEDRO
CCNC(=O)c1ccc(CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)cc1	ZINC000867948943	977128723	/nfs/dbraw/zinc/12/87/23/977128723.db2.gz	JCBQBAFHNUCYMJ-LJQANCHMSA-N	1	0	362.433	1.811	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCNC(=O)C[C@H]1c1ccccc1	ZINC000867949245	977129847	/nfs/dbraw/zinc/12/98/47/977129847.db2.gz	SDWBUBFTIOIVEJ-PZJWPPBQSA-N	1	0	374.444	1.835	20	30		FDEDRO
COC(=O)[C@H](NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)c1ccccc1F	ZINC000867953274	977134562	/nfs/dbraw/zinc/13/45/62/977134562.db2.gz	RQTUJQKXMDJMGP-QZTJIDSGSA-N	1	0	367.380	1.915	20	30		FDEDRO
CC(C)[C@H](CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)N1CCOCC1	ZINC000867963553	977147781	/nfs/dbraw/zinc/14/77/81/977147781.db2.gz	XEZWZFSPICMMPX-RBUKOAKNSA-N	1	0	356.470	1.218	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCc1cnc(C(F)(F)F)nc1	ZINC000867983333	977167216	/nfs/dbraw/zinc/16/72/16/977167216.db2.gz	DEFXXCHIQDGEJN-AWEZNQCLSA-N	1	0	361.327	1.870	20	30		FDEDRO
C[C@@H](CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)N1C[C@@H](C)O[C@@H](C)C1	ZINC000867984367	977169119	/nfs/dbraw/zinc/16/91/19/977169119.db2.gz	WCNYKAXWVLJUQV-ZTENYAIWSA-N	1	0	356.470	1.359	20	30		FDEDRO
CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000867987571	977172688	/nfs/dbraw/zinc/17/26/88/977172688.db2.gz	OJNNATVUVRJWOZ-ABSDTBQOSA-N	1	0	355.438	1.983	20	30		FDEDRO
CC[C@]1(CNC(NCCN2CCOCC2)=[NH+]C)OCCc2ccccc21	ZINC000849084297	977307222	/nfs/dbraw/zinc/30/72/22/977307222.db2.gz	JJEIUZFHPAKNNB-HXUWFJFHSA-N	1	0	360.502	1.362	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccc(C#N)c(OC)c2)CC1	ZINC000849085286	977308148	/nfs/dbraw/zinc/30/81/48/977308148.db2.gz	LEKZVHWBEJTROA-UHFFFAOYSA-N	1	0	359.430	1.802	20	30		FDEDRO
CNC(NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)=[NH+]C	ZINC000849089643	977309532	/nfs/dbraw/zinc/30/95/32/977309532.db2.gz	SKYADNUEBLSVGY-UHFFFAOYSA-N	1	0	350.419	1.921	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1nc2cccc(Cl)c2n1C	ZINC000849092534	977310452	/nfs/dbraw/zinc/31/04/52/977310452.db2.gz	NSTNPQFHQUTNRN-UHFFFAOYSA-N	1	0	364.881	1.224	20	30		FDEDRO
C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1	ZINC000868196673	977342849	/nfs/dbraw/zinc/34/28/49/977342849.db2.gz	WEAMWEZNOGJXJD-RDJZCZTQSA-N	1	0	356.405	1.967	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CC3(CO2)CCOCC3)CC1	ZINC000868221404	977359859	/nfs/dbraw/zinc/35/98/59/977359859.db2.gz	HXRARWCFANODLT-QGZVFWFLSA-N	1	0	351.491	1.912	20	30		FDEDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC1CCN(c2ccccc2C#N)CC1	ZINC000868236499	977373671	/nfs/dbraw/zinc/37/36/71/977373671.db2.gz	USAKVQBBRBIGCK-SFHVURJKSA-N	1	0	370.501	1.072	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1C#N	ZINC000868252414	977396418	/nfs/dbraw/zinc/39/64/18/977396418.db2.gz	IGFNLFYWVQFMAH-ZIAGYGMSSA-N	1	0	356.426	1.353	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)N2CCN(c3ccc(C#N)cc3)CC2)CCSC1	ZINC000868354457	977520875	/nfs/dbraw/zinc/52/08/75/977520875.db2.gz	GHSUMKITVFMQSV-IBGZPJMESA-N	1	0	373.526	1.827	20	30		FDEDRO
COc1cc(C#N)ccc1OC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1	ZINC000849490638	977682566	/nfs/dbraw/zinc/68/25/66/977682566.db2.gz	VOJOKBKNNSCCFI-HOTGVXAUSA-N	1	0	354.410	1.941	20	30		FDEDRO
Cc1cc(NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)n(CCC#N)n1	ZINC000849508263	977702819	/nfs/dbraw/zinc/70/28/19/977702819.db2.gz	UAYCQYIJKBXSGW-HOTGVXAUSA-N	1	0	355.446	1.513	20	30		FDEDRO
Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2ccc(C#N)cc2F)cn1	ZINC000849521317	977715795	/nfs/dbraw/zinc/71/57/95/977715795.db2.gz	DDUMTSMOYQWQOL-SJORKVTESA-N	1	0	355.417	1.783	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccn(C)c(=O)c1)OCC	ZINC001110612609	977743688	/nfs/dbraw/zinc/74/36/88/977743688.db2.gz	JRDBGFZVHAAYHD-AKHDSKFASA-N	1	0	373.497	1.978	20	30		FDEDRO
C=CCCn1cc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)nn1	ZINC000850135572	978197082	/nfs/dbraw/zinc/19/70/82/978197082.db2.gz	SVPCTZMUAFHDRL-UHFFFAOYSA-N	1	0	363.434	1.208	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1	ZINC000850549637	978433053	/nfs/dbraw/zinc/43/30/53/978433053.db2.gz	IUCOGDQXZHQUAU-AWEZNQCLSA-N	1	0	361.417	1.765	20	30		FDEDRO
C[NH2+]C[C@@H](C)NC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1	ZINC000850727681	978651511	/nfs/dbraw/zinc/65/15/11/978651511.db2.gz	UHRHQKXZPVXRTJ-FWORZXNSSA-N	1	0	367.475	1.229	20	30		FDEDRO
C[NH2+]C[C@@H](C)NC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1	ZINC000850727680	978651664	/nfs/dbraw/zinc/65/16/64/978651664.db2.gz	UHRHQKXZPVXRTJ-FTRNENOISA-N	1	0	367.475	1.229	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCS1(=O)=O)C2	ZINC001110629041	978815260	/nfs/dbraw/zinc/81/52/60/978815260.db2.gz	ARZOFRDCYSADAL-FPCVCCKLSA-N	1	0	355.504	1.098	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1	ZINC000968001786	1014539724	/nfs/dbraw/zinc/53/97/24/1014539724.db2.gz	WDOUENAHNSIKHH-KSZLIROESA-N	1	0	365.518	1.613	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1	ZINC000968001068	1014538834	/nfs/dbraw/zinc/53/88/34/1014538834.db2.gz	NYCLZBZJDQEKDE-IEZWGBDMSA-N	1	0	363.502	1.511	20	30		FDEDRO
CS(=O)(=O)CCOc1ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc1	ZINC000851641280	978982319	/nfs/dbraw/zinc/98/23/19/978982319.db2.gz	JQEIFFFEAYKNGI-OAHLLOKOSA-N	1	0	353.444	1.460	20	30		FDEDRO
C#C[C@@H]1COCCN1C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)c(F)c1	ZINC000851675703	978993076	/nfs/dbraw/zinc/99/30/76/978993076.db2.gz	YMEDBNDATQCANM-VYDXJSESSA-N	1	0	361.417	1.323	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CC[C@H](CF)C2)CC1	ZINC000880298782	979078473	/nfs/dbraw/zinc/07/84/73/979078473.db2.gz	JTQZNWPTJLCBIH-HUUCEWRRSA-N	1	0	350.463	1.748	20	30		FDEDRO
CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(CCC#N)c3ccc(C)c(C)c3)C[C@@H]2C1	ZINC000880308737	979084536	/nfs/dbraw/zinc/08/45/36/979084536.db2.gz	MGMMPGQHPSEJBO-KDURUIRLSA-N	1	0	368.481	1.960	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2cccc(F)c2C#N)CCO1	ZINC000851887323	979161413	/nfs/dbraw/zinc/16/14/13/979161413.db2.gz	VFSSQZFXZJOHOJ-ZDUSSCGKSA-N	1	0	355.435	1.429	20	30		FDEDRO
CC(C)(C)OCCC[NH+]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1	ZINC000880411913	979170680	/nfs/dbraw/zinc/17/06/80/979170680.db2.gz	KOHBKVPOBLKNOR-LJQANCHMSA-N	1	0	350.507	1.618	20	30		FDEDRO
C#C[C@H]([NH2+]C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)[C@@H]1CCCO1	ZINC000851949369	979214982	/nfs/dbraw/zinc/21/49/82/979214982.db2.gz	DEYHJSQQBXRTLW-JYJNAYRXSA-N	1	0	350.459	1.925	20	30		FDEDRO
C#C[C@H](NC(=O)NCCCC[NH+]1CCN(CC)CC1)C1CCOCC1	ZINC000851981233	979242593	/nfs/dbraw/zinc/24/25/93/979242593.db2.gz	TUWNSYRTPYIFIN-SFHVURJKSA-N	1	0	350.507	1.132	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC(N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000968011224	1014566075	/nfs/dbraw/zinc/56/60/75/1014566075.db2.gz	XWWTXWLDYJLMHF-OXQOHEQNSA-N	1	0	367.493	1.610	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3C[C@@H](O)CC4(CCOCC4)C3)C2=O)cc1	ZINC000880582315	979324884	/nfs/dbraw/zinc/32/48/84/979324884.db2.gz	MVPBVWBBEPWIRF-OALUTQOASA-N	1	0	369.465	1.917	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)cc1	ZINC000880584743	979329865	/nfs/dbraw/zinc/32/98/65/979329865.db2.gz	LVOFHUZPOIVXET-MSOLQXFVSA-N	1	0	360.454	1.356	20	30		FDEDRO
N#Cc1ccc(OCC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1	ZINC000881618712	980014265	/nfs/dbraw/zinc/01/42/65/980014265.db2.gz	OCEQTNZMVUFTGY-UHFFFAOYSA-N	1	0	370.453	1.269	20	30		FDEDRO
C=CCn1cc(C(=O)NCCC2(O)CC[NH+](Cc3ccccc3)CC2)nn1	ZINC000882383844	980605559	/nfs/dbraw/zinc/60/55/59/980605559.db2.gz	HCHGMPSFPSMOJO-UHFFFAOYSA-N	1	0	369.469	1.611	20	30		FDEDRO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1nccc(Oc2cccc(C#N)c2)n1	ZINC000882516990	980694487	/nfs/dbraw/zinc/69/44/87/980694487.db2.gz	KJOYCKLACQXFNI-CQSZACIVSA-N	1	0	366.425	1.697	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)NCCCN1CCC[N@@H+](C)CC1	ZINC000882524459	980700414	/nfs/dbraw/zinc/70/04/14/980700414.db2.gz	QCYKSAHVAVLBGK-UHFFFAOYSA-N	1	0	350.488	1.173	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1	ZINC000882620721	980761053	/nfs/dbraw/zinc/76/10/53/980761053.db2.gz	SVNSMLNYUYHUJA-CABCVRRESA-N	1	0	351.476	1.318	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1N[C@H]1CC[N@@H+](CC(C)(C)O)C1	ZINC000882677068	980820588	/nfs/dbraw/zinc/82/05/88/980820588.db2.gz	BDQCHBHFYYNZGV-AWEZNQCLSA-N	1	0	353.488	1.408	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1	ZINC000858126235	981847192	/nfs/dbraw/zinc/84/71/92/981847192.db2.gz	WVJJEBNPLOIDHW-KRWDZBQOSA-N	1	0	359.474	1.061	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(cc[nH]c3=O)n1)C2	ZINC001110740887	981882438	/nfs/dbraw/zinc/88/24/38/981882438.db2.gz	IAAUHZNGNBMTJN-XWIAVFTESA-N	1	0	368.437	1.873	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000858275364	981955122	/nfs/dbraw/zinc/95/51/22/981955122.db2.gz	GSOPJUKHBXHGQQ-UXHICEINSA-N	1	0	372.513	1.703	20	30		FDEDRO
C=C(C)C[C@@H](CO)NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000883119502	981962824	/nfs/dbraw/zinc/96/28/24/981962824.db2.gz	BCVCYDIZJIDNGC-SFHVURJKSA-N	1	0	360.502	1.825	20	30		FDEDRO
C=CCC[C@@H](CO)[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl	ZINC000883139023	981974814	/nfs/dbraw/zinc/97/48/14/981974814.db2.gz	YALCWTIRIYDOFQ-STQMWFEESA-N	1	0	361.895	1.621	20	30		FDEDRO
C=C(C)C[C@H](CO)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)OCC	ZINC000883391398	982109552	/nfs/dbraw/zinc/10/95/52/982109552.db2.gz	JCUJWKYWZNFGAG-KFWWJZLASA-N	1	0	356.463	1.844	20	30		FDEDRO
C#CC1(NC(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CCCC1	ZINC000883501693	982221580	/nfs/dbraw/zinc/22/15/80/982221580.db2.gz	PZZHRVKVZCEWME-UHFFFAOYSA-N	1	0	362.518	1.858	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1C1CC1	ZINC000883606745	982303287	/nfs/dbraw/zinc/30/32/87/982303287.db2.gz	AMTQQNIQLWRQOH-KKXDTOCCSA-N	1	0	352.438	1.960	20	30		FDEDRO
Cn1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(C#N)[nH]2)C3)cc1=O	ZINC001095327318	982634184	/nfs/dbraw/zinc/63/41/84/982634184.db2.gz	GHXNWMUJOPOHGT-PVAVHDDUSA-N	1	0	351.410	1.120	20	30		FDEDRO
CCOC(=O)c1cc(C#N)c(C)nc1N1CC[NH+](CC2CCOCC2)CC1	ZINC001202590478	982644338	/nfs/dbraw/zinc/64/43/38/982644338.db2.gz	AJPYOENILVPWQF-UHFFFAOYSA-N	1	0	372.469	1.987	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)CC1	ZINC000859250185	982645498	/nfs/dbraw/zinc/64/54/98/982645498.db2.gz	GTIKEVJKFJPUPE-UHFFFAOYSA-N	1	0	373.453	1.137	20	30		FDEDRO
C[N@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@@H]1CCN(Cc2ccccc2)C1=O	ZINC000859273518	982670083	/nfs/dbraw/zinc/67/00/83/982670083.db2.gz	AIPHWWLPXKQUEP-RTBURBONSA-N	1	0	371.481	1.791	20	30		FDEDRO
C[NH+](C)CCc1ccc(CNC(=O)C(=O)Nc2cccc(CC#N)n2)cc1	ZINC000890201436	982672622	/nfs/dbraw/zinc/67/26/22/982672622.db2.gz	RFZPSRQVTJGDAE-UHFFFAOYSA-N	1	0	365.437	1.507	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc(C3CC3)c1)C2	ZINC001110771040	982718004	/nfs/dbraw/zinc/71/80/04/982718004.db2.gz	HXSUJORDUYJFKR-QVSURHGTSA-N	1	0	366.465	1.432	20	30		FDEDRO
O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)OCCC[NH+]1CCCC1	ZINC000800080136	982730183	/nfs/dbraw/zinc/73/01/83/982730183.db2.gz	RCSJGIGOVVVQEH-UHFFFAOYSA-N	1	0	365.455	1.144	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1	ZINC000884084356	982841153	/nfs/dbraw/zinc/84/11/53/982841153.db2.gz	OGZINBHREFPEKP-KRWDZBQOSA-N	1	0	374.460	1.559	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1)C2	ZINC000884094910	982858334	/nfs/dbraw/zinc/85/83/34/982858334.db2.gz	XXXMBVWLVFBBKR-MUZJZNNISA-N	1	0	352.438	1.216	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCNC(=O)C[C@H]1c1ccccc1)C2	ZINC000884094909	982858377	/nfs/dbraw/zinc/85/83/77/982858377.db2.gz	XXXMBVWLVFBBKR-ASPXRTSYSA-N	1	0	352.438	1.216	20	30		FDEDRO
N#CCN1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1	ZINC000859487145	982858562	/nfs/dbraw/zinc/85/85/62/982858562.db2.gz	ADEFTLZAOFTKGR-IBGZPJMESA-N	1	0	352.482	1.956	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCN(C(=O)c3ccsc3)CC1)C2	ZINC000884096978	982860575	/nfs/dbraw/zinc/86/05/75/982860575.db2.gz	PGHUXLYGNUODJR-SWKXRBFHSA-N	1	0	358.467	1.172	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@H](O)c1ccccc1C(F)(F)F)C2	ZINC000884108334	982878412	/nfs/dbraw/zinc/87/84/12/982878412.db2.gz	XZGWWXLBRRLPJN-BBHKVMKQSA-N	1	0	367.371	1.994	20	30		FDEDRO
COC(=O)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)Cc1cccc(C)c1	ZINC000884129925	982912288	/nfs/dbraw/zinc/91/22/88/982912288.db2.gz	UBCMWRAMZYJNCI-LWLAFGSWSA-N	1	0	369.465	1.582	20	30		FDEDRO
CCOC(=O)[C@@]1(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CCc2ccccc21	ZINC000884138943	982921579	/nfs/dbraw/zinc/92/15/79/982921579.db2.gz	DMNJVTJMTVFUTI-HESSTHLMSA-N	1	0	367.449	1.647	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCCN(c3ccccc3)C1=O)C2	ZINC000884139516	982922137	/nfs/dbraw/zinc/92/21/37/982922137.db2.gz	UPSZKARUWQEYLC-WAGVIYRNSA-N	1	0	352.438	1.438	20	30		FDEDRO
COC(=O)N(C)Cc1ccc(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc1	ZINC000884144544	982925136	/nfs/dbraw/zinc/92/51/36/982925136.db2.gz	NBUFUCCERNTHHB-HVEKOLDVSA-N	1	0	356.426	1.963	20	30		FDEDRO
COc1cc(N(C)C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc(OC)c1OC	ZINC000884152705	982931428	/nfs/dbraw/zinc/93/14/28/982931428.db2.gz	RLPNEGWNGFWPQH-FWHMADFJSA-N	1	0	359.426	1.815	20	30		FDEDRO
COc1cc(N(C)C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc(OC)c1OC	ZINC000884152706	982931483	/nfs/dbraw/zinc/93/14/83/982931483.db2.gz	RLPNEGWNGFWPQH-MLZJXEJWSA-N	1	0	359.426	1.815	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1cccc(N3CCCNC3=O)c1)C2	ZINC000884160379	982936161	/nfs/dbraw/zinc/93/61/61/982936161.db2.gz	BQROEZURGAEHHU-SHYRYGCCSA-N	1	0	353.426	1.684	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)CC1	ZINC000884161293	982937593	/nfs/dbraw/zinc/93/75/93/982937593.db2.gz	BTUGFMVENLRZRM-IIHSZXCVSA-N	1	0	351.491	1.909	20	30		FDEDRO
COCCOCCN(Cc1ccccc1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884166557	982942086	/nfs/dbraw/zinc/94/20/86/982942086.db2.gz	FNCZSYRKUGTSAA-OBXNSHGQSA-N	1	0	371.481	1.818	20	30		FDEDRO
CCN(CC[NH3+])C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1	ZINC000859635861	982952106	/nfs/dbraw/zinc/95/21/06/982952106.db2.gz	QWOCZNSODVQYMH-XDJHFCHBSA-N	1	0	367.475	1.312	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NCc1ccccc1C[NH+]1CCCCC1	ZINC000884180679	982953420	/nfs/dbraw/zinc/95/34/20/982953420.db2.gz	HHDJGDHKEZYPSH-SFHVURJKSA-N	1	0	359.470	1.735	20	30		FDEDRO
CCC(CC)[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)N1CCOCC1	ZINC000884184797	982960266	/nfs/dbraw/zinc/96/02/66/982960266.db2.gz	ZYNAFZQRGNNFBG-AGYKMIKPSA-N	1	0	362.518	1.379	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccccc1N1CCOCC1)C2	ZINC000884191994	982967858	/nfs/dbraw/zinc/96/78/58/982967858.db2.gz	TUDXAAJDGFJQMP-OHTSDLOESA-N	1	0	354.454	1.279	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)N1CCOCC1	ZINC000331991797	982973681	/nfs/dbraw/zinc/97/36/81/982973681.db2.gz	PLKVBTVJXAIZFD-KRWDZBQOSA-N	1	0	356.470	1.382	20	30		FDEDRO
CN(C)CC(=O)Nc1ccc(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1	ZINC000884219860	982994018	/nfs/dbraw/zinc/99/40/18/982994018.db2.gz	ZEHPBYBLVMIPJP-SHYRYGCCSA-N	1	0	355.442	1.265	20	30		FDEDRO
COc1ccccc1N1CC[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1	ZINC000884228544	983003156	/nfs/dbraw/zinc/00/31/56/983003156.db2.gz	SGKZTGQYVKHTSI-SIRSKZSMSA-N	1	0	354.454	1.529	20	30		FDEDRO
CCc1cc(N2CCC(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CC2)ncn1	ZINC000884231063	983004571	/nfs/dbraw/zinc/00/45/71/983004571.db2.gz	IAXMVHNZDNOXGF-RDYUPDBUSA-N	1	0	368.485	1.263	20	30		FDEDRO
COc1ccccc1[C@@H]1CNCCN1C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884278947	983050185	/nfs/dbraw/zinc/05/01/85/983050185.db2.gz	XMVIPVFBZXMJRC-GLEGPSONSA-N	1	0	354.454	1.307	20	30		FDEDRO
CCOC(=O)CN(CCc1ccccc1)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884312035	983075342	/nfs/dbraw/zinc/07/53/42/983075342.db2.gz	USFOLSZYOXIJTQ-WBTXTPOCSA-N	1	0	369.465	1.760	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCc1cccc3c1OC(F)(F)O3)C2	ZINC000884431617	983152564	/nfs/dbraw/zinc/15/25/64/983152564.db2.gz	ZAEZSCPKGHOZMX-UIORMTCPSA-N	1	0	363.364	1.806	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NCc2ccc(Cl)c(C(=O)OC)n2)C1	ZINC000884467443	983172598	/nfs/dbraw/zinc/17/25/98/983172598.db2.gz	WMSSOIILFULYNG-CYBMUJFWSA-N	1	0	364.833	1.418	20	30		FDEDRO
C#CCNC(=O)CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)OC(C)(C)C	ZINC000860041066	983189569	/nfs/dbraw/zinc/18/95/69/983189569.db2.gz	SNIMPKFNSXYVIL-YVSFHVDLSA-N	1	0	361.486	1.703	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)c1cccc(C#N)c1	ZINC000884617508	983279449	/nfs/dbraw/zinc/27/94/49/983279449.db2.gz	NICWRBOXNDGQLV-FOIQADDNSA-N	1	0	354.454	1.728	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)c1cccc(C#N)c1	ZINC000884617780	983279668	/nfs/dbraw/zinc/27/96/68/983279668.db2.gz	SIEBIWDWPGFEBN-LEWSCRJBSA-N	1	0	368.359	1.331	20	30		FDEDRO
COC(=O)CCN1CCN(C(=O)C(C)(C)c2ccc(C#N)cc2)[C@@H](C)C1	ZINC000860599169	983454451	/nfs/dbraw/zinc/45/44/51/983454451.db2.gz	XMPARYHWSWQALX-HNNXBMFYSA-N	1	0	357.454	1.932	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])cc1	ZINC000653234854	1014968074	/nfs/dbraw/zinc/96/80/74/1014968074.db2.gz	RWRYGCWWJAEVLF-YOEHRIQHSA-N	1	0	365.499	1.740	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nc3c(s1)CCC3)C2	ZINC001110806441	983840672	/nfs/dbraw/zinc/84/06/72/983840672.db2.gz	PUAJDJKKZYCUOI-MXYBEHONSA-N	1	0	372.494	1.105	20	30		FDEDRO
CCN(CC[NH3+])C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	ZINC000861752680	983900377	/nfs/dbraw/zinc/90/03/77/983900377.db2.gz	IWBQYYPJMMRXPM-UHFFFAOYSA-N	1	0	356.451	1.710	20	30		FDEDRO
C#CC[C@@H](CO)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1	ZINC000861783561	983918606	/nfs/dbraw/zinc/91/86/06/983918606.db2.gz	HLKJWVXPCMVVEF-RCCFBDPRSA-N	1	0	369.490	1.859	20	30		FDEDRO
CC(C)(C(=O)NCC(=O)NCC[NH+]1CCCCCC1)c1ccc(C#N)cc1	ZINC000861820169	983938502	/nfs/dbraw/zinc/93/85/02/983938502.db2.gz	MZLSVDDTHLVFKX-UHFFFAOYSA-N	1	0	370.497	1.944	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@H](F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000861838124	983949518	/nfs/dbraw/zinc/94/95/18/983949518.db2.gz	RKGMRUTXTJNBHL-HUUCEWRRSA-N	1	0	355.454	1.653	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@@H](F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000861838122	983949599	/nfs/dbraw/zinc/94/95/99/983949599.db2.gz	RKGMRUTXTJNBHL-CABCVRRESA-N	1	0	355.454	1.653	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(C2CCOCC2)c1	ZINC000861872470	983967157	/nfs/dbraw/zinc/96/71/57/983967157.db2.gz	QMLZEPAOIRJPPR-UHFFFAOYSA-N	1	0	357.454	1.590	20	30		FDEDRO
C=CC[C@H](C(=O)[O-])[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1	ZINC001588727280	983975569	/nfs/dbraw/zinc/97/55/69/983975569.db2.gz	ATFDZOTZHLRHJY-QGZVFWFLSA-N	1	0	351.491	1.720	20	30		FDEDRO
NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C#Cc1ccc(C(F)(F)F)cc1	ZINC000862648672	984462350	/nfs/dbraw/zinc/46/23/50/984462350.db2.gz	BLCAXJYIGIZPLW-HNNXBMFYSA-N	1	0	367.371	1.513	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](Cc2cccc(OC)c2)C(=O)OC)CC1	ZINC000862725854	984507196	/nfs/dbraw/zinc/50/71/96/984507196.db2.gz	YKIFHDAGJZGXBP-SFHVURJKSA-N	1	0	358.438	1.241	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@H]1Cc2ccc(C#N)cc2C1	ZINC000869191297	984934629	/nfs/dbraw/zinc/93/46/29/984934629.db2.gz	URTIPUIIIPZTON-BEFAXECRSA-N	1	0	368.481	1.920	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1	ZINC000884911825	984959654	/nfs/dbraw/zinc/95/96/54/984959654.db2.gz	VDYYHDMGCIEBNZ-SAABIXHNSA-N	1	0	356.470	1.931	20	30		FDEDRO
C[NH+](C)CCn1cc(C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)cn1	ZINC000869234174	984962636	/nfs/dbraw/zinc/96/26/36/984962636.db2.gz	OYGYAIJNYKSQJN-LJQANCHMSA-N	1	0	352.442	1.537	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000885097213	985173542	/nfs/dbraw/zinc/17/35/42/985173542.db2.gz	ULZOADMNFSBEET-ULQDDVLXSA-N	1	0	365.518	1.840	20	30		FDEDRO
Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)nn1-c1cccc(C#N)c1	ZINC000869779515	985330341	/nfs/dbraw/zinc/33/03/41/985330341.db2.gz	WSPNNNOSAJCENG-INIZCTEOSA-N	1	0	367.453	1.627	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H](CC)OC[C@@H]2CC)CC1	ZINC000653393109	1015119189	/nfs/dbraw/zinc/11/91/89/1015119189.db2.gz	SKGNSIHABUEOSS-IRXDYDNUSA-N	1	0	351.491	1.559	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH+]2CCN(Cc3nccn3C(F)F)CC2)CCC1	ZINC000886072506	985859946	/nfs/dbraw/zinc/85/99/46/985859946.db2.gz	ICWUURPZFZLIRC-CQSZACIVSA-N	1	0	353.417	1.841	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)CCC1	ZINC000886120889	985919046	/nfs/dbraw/zinc/91/90/46/985919046.db2.gz	PZVBWUMWEVOAJF-IAGOWNOFSA-N	1	0	369.531	1.758	20	30		FDEDRO
C#CCN1CCC[C@@H]([NH2+]Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)C1	ZINC000886212824	985978168	/nfs/dbraw/zinc/97/81/68/985978168.db2.gz	GIQNMVILYKNHSJ-CQSZACIVSA-N	1	0	365.861	1.400	20	30		FDEDRO
Cn1ccn2c(CC[NH2+]Cc3cccc(OCCCC#N)c3)nnc2c1=O	ZINC000886284290	986022496	/nfs/dbraw/zinc/02/24/96/986022496.db2.gz	SMQHYUDFBQUJSB-UHFFFAOYSA-N	1	0	366.425	1.443	20	30		FDEDRO
C#CC[C@H]1CC[N@@H+](CC(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)C1	ZINC000886356016	986093750	/nfs/dbraw/zinc/09/37/50/986093750.db2.gz	RYBCEHWKGJWODZ-ROUUACIJSA-N	1	0	359.514	1.829	20	30		FDEDRO
CC[C@H](C[NH+](C)C)OC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21	ZINC000870550084	986115017	/nfs/dbraw/zinc/11/50/17/986115017.db2.gz	LSWUCBMABLAMRM-QWHCGFSZSA-N	1	0	367.471	1.387	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CCN(Cc2ccccc2)C1=O)C1CC[NH+](C)CC1	ZINC000886571518	986371057	/nfs/dbraw/zinc/37/10/57/986371057.db2.gz	YWEZUEVBORKUQO-LJQANCHMSA-N	1	0	353.466	1.591	20	30		FDEDRO
C#CCN(C(=O)CCc1cc(OC)c(O)c(OC)c1)C1CC[NH+](C)CC1	ZINC000886573337	986371601	/nfs/dbraw/zinc/37/16/01/986371601.db2.gz	FQGLANLGDIZBIG-UHFFFAOYSA-N	1	0	360.454	1.898	20	30		FDEDRO
C#CCN(C(=O)Cc1ccccc1N1CCCC1=O)C1CC[NH+](C)CC1	ZINC000886572648	986371791	/nfs/dbraw/zinc/37/17/91/986371791.db2.gz	VGDPEVFXDCSPNQ-UHFFFAOYSA-N	1	0	353.466	1.912	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)CC1	ZINC000886575425	986375849	/nfs/dbraw/zinc/37/58/49/986375849.db2.gz	SFODRWOCTWRRMD-YYIAUSFCSA-N	1	0	374.510	1.160	20	30		FDEDRO
C#CCN(C(=O)[C@@H](F)C1CN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1	ZINC000886575811	986375960	/nfs/dbraw/zinc/37/59/60/986375960.db2.gz	LLUGCBLAVPZBBU-INIZCTEOSA-N	1	0	367.465	1.747	20	30		FDEDRO
C#CCN(C(=O)c1cc(N2C[C@@H](C)O[C@H](C)C2)ccn1)C1CC[NH+](C)CC1	ZINC000886577446	986377743	/nfs/dbraw/zinc/37/77/43/986377743.db2.gz	ISRQCDKFKCKLSH-IAGOWNOFSA-N	1	0	370.497	1.865	20	30		FDEDRO
C=CCn1cc2ccc(NC(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)cc2n1	ZINC000886647303	986451453	/nfs/dbraw/zinc/45/14/53/986451453.db2.gz	KUNFOMGFIYRPIH-HNNXBMFYSA-N	1	0	355.442	1.571	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC2OCCCO2)C3)cc1	ZINC001095353173	986618253	/nfs/dbraw/zinc/61/82/53/986618253.db2.gz	IARIQYWKWJYPKH-SQNIBIBYSA-N	1	0	355.438	1.933	20	30		FDEDRO
C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1	ZINC000871099846	986668659	/nfs/dbraw/zinc/66/86/59/986668659.db2.gz	HFYXHFIPFDMTEN-CABCVRRESA-N	1	0	356.478	1.489	20	30		FDEDRO
COCC1(CNS(=O)(=O)c2ccc(CCC#N)cc2)CC[NH2+]CC1	ZINC000886886852	986690815	/nfs/dbraw/zinc/69/08/15/986690815.db2.gz	VIUYXPTVHREBBY-UHFFFAOYSA-N	1	0	351.472	1.437	20	30		FDEDRO
C=CCN(C)c1nnc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1Cc1cc(C)on1	ZINC000871334566	986905007	/nfs/dbraw/zinc/90/50/07/986905007.db2.gz	XFQOGVGDXCIRKZ-CVEARBPZSA-N	1	0	358.446	1.781	20	30		FDEDRO
N#Cc1cc(F)ccc1Cn1cnc2c(cnn2C2CC[NH2+]CC2)c1=O	ZINC000871677531	987191496	/nfs/dbraw/zinc/19/14/96/987191496.db2.gz	NVFBWSKITYCCOW-UHFFFAOYSA-N	1	0	352.373	1.577	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(Cc2nc([C@@H]3CCC[NH2+]3)no2)s1	ZINC000871788788	987242182	/nfs/dbraw/zinc/24/21/82/987242182.db2.gz	RBRQRUIDGBGXEW-NSHDSACASA-N	1	0	354.457	1.611	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1	ZINC000871813934	987266598	/nfs/dbraw/zinc/26/65/98/987266598.db2.gz	LWLRNTJSZVMBLV-GHMZBOCLSA-N	1	0	363.361	1.325	20	30		FDEDRO
C[N@@H+]1CCn2nc(N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc2C1	ZINC000871926386	987332583	/nfs/dbraw/zinc/33/25/83/987332583.db2.gz	GUPWKYMOUQZBSH-KRWDZBQOSA-N	1	0	350.426	1.808	20	30		FDEDRO
COc1ccc([C@@H](C[NH3+])CN2CCN(c3ccc(C#N)nc3)CC2)cc1	ZINC000872146096	987460416	/nfs/dbraw/zinc/46/04/16/987460416.db2.gz	FPALCJDJBPMNAL-KRWDZBQOSA-N	1	0	351.454	1.826	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1	ZINC000872192176	987497653	/nfs/dbraw/zinc/49/76/53/987497653.db2.gz	RYPJFGFDCJVTIK-AEFFLSMTSA-N	1	0	365.518	1.794	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CC(=O)c3ccccc3O2)cc1	ZINC000872233743	987532076	/nfs/dbraw/zinc/53/20/76/987532076.db2.gz	WJVHDCGHSXMRNV-DOTOQJQBSA-N	1	0	352.390	1.922	20	30		FDEDRO
N#Cc1cc(Cl)ccc1S(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO	ZINC000872618218	987864791	/nfs/dbraw/zinc/86/47/91/987864791.db2.gz	QYVBNMIEVLSDEK-UONOGXRCSA-N	1	0	355.847	1.041	20	30		FDEDRO
CN(CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O)[C@@H]1CCC[C@H]1C#N	ZINC000872684329	987968773	/nfs/dbraw/zinc/96/87/73/987968773.db2.gz	LZAYJRKOYCHGLR-INDMIFKZSA-N	1	0	366.465	1.685	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2OCCN(CC(=O)N(CCC#N)c3ccccc3)[C@H]2C1	ZINC000293226434	987997884	/nfs/dbraw/zinc/99/78/84/987997884.db2.gz	KGVWLYZFSOBKNS-RBUKOAKNSA-N	1	0	356.470	1.728	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cnn(C)c1-c1ccccc1	ZINC000293250011	988004785	/nfs/dbraw/zinc/00/47/85/988004785.db2.gz	DKHJESHFWSJQHZ-UHFFFAOYSA-N	1	0	353.426	1.097	20	30		FDEDRO
C=CCc1cc(OC)cc(C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1O	ZINC000872795756	988075081	/nfs/dbraw/zinc/07/50/81/988075081.db2.gz	NKCNNWMWTSFRGQ-ZBFHGGJFSA-N	1	0	351.468	1.996	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCCN(C(=O)[C@@H]3CCCO3)CC2)CC1	ZINC000360972420	988231982	/nfs/dbraw/zinc/23/19/82/988231982.db2.gz	MFMVPRICGLOUQN-KRWDZBQOSA-N	1	0	364.490	1.060	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)CC1	ZINC000872902350	988262796	/nfs/dbraw/zinc/26/27/96/988262796.db2.gz	NEQXRLNJEUFWGX-CALCHBBNSA-N	1	0	355.504	1.103	20	30		FDEDRO
Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)nn1CCC#N	ZINC000361140243	988280900	/nfs/dbraw/zinc/28/09/00/988280900.db2.gz	GXLXOYPPDRNULX-DJIMGWMZSA-N	1	0	374.489	2.116	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1)C[NH+]1CCCCC1	ZINC000872924420	988289796	/nfs/dbraw/zinc/28/97/96/988289796.db2.gz	RUHPBHNLUCXUJV-QGZVFWFLSA-N	1	0	370.501	1.907	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC000872927759	988294711	/nfs/dbraw/zinc/29/47/11/988294711.db2.gz	ZLOJHZJKPPTDTG-IRXDYDNUSA-N	1	0	370.501	1.905	20	30		FDEDRO
CC[NH+]1CCC(CCNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC1	ZINC000872929175	988298591	/nfs/dbraw/zinc/29/85/91/988298591.db2.gz	KLDGQUBCEXRQED-UHFFFAOYSA-N	1	0	370.501	1.907	20	30		FDEDRO
C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1	ZINC000872947486	988323072	/nfs/dbraw/zinc/32/30/72/988323072.db2.gz	NADHRKXCIVXUBY-WBVHZDCISA-N	1	0	356.474	1.658	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC[N@@H+](C3CCOCC3)CC2)ccc1F	ZINC000361393035	988362099	/nfs/dbraw/zinc/36/20/99/988362099.db2.gz	QSEJHOXKTIDZLO-UHFFFAOYSA-N	1	0	374.416	1.349	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)cn1	ZINC000873059805	988494183	/nfs/dbraw/zinc/49/41/83/988494183.db2.gz	ZDRLUSBOEUNBDE-MOPGFXCFSA-N	1	0	368.485	1.802	20	30		FDEDRO
CO[C@@H]1COCC[C@H]1CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000294770515	988536093	/nfs/dbraw/zinc/53/60/93/988536093.db2.gz	QWFDFMCJJCNAFR-RBUKOAKNSA-N	1	0	359.470	1.890	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1	ZINC000873104474	988557498	/nfs/dbraw/zinc/55/74/98/988557498.db2.gz	NCZZBYYKUBTMMX-NWDGAFQWSA-N	1	0	354.332	1.401	20	30		FDEDRO
CCc1nc(CN2C[C@@H]3C[N@@H+](C[C@@H](O)c4ccc(C#N)cc4)C[C@@H]3C2)no1	ZINC000366266341	988587227	/nfs/dbraw/zinc/58/72/27/988587227.db2.gz	GYFXYTBUCMYUBI-FGTMMUONSA-N	1	0	367.453	1.601	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCc3c(nnn3-c3ccccc3)C2)CC1	ZINC000366304093	988608507	/nfs/dbraw/zinc/60/85/07/988608507.db2.gz	BPBBOTMYCUWVRV-UHFFFAOYSA-N	1	0	366.469	1.985	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC(=O)Nc2cccc3cccnc32)CC1	ZINC000299609658	988626603	/nfs/dbraw/zinc/62/66/03/988626603.db2.gz	DUCXHUYGFSTYRC-UHFFFAOYSA-N	1	0	350.422	1.635	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)Nc3cccc4c3CC[NH2+]C4)CC2)cn1	ZINC000873329089	988716137	/nfs/dbraw/zinc/71/61/37/988716137.db2.gz	WNDSWDWDOCPMPL-UHFFFAOYSA-N	1	0	362.437	1.953	20	30		FDEDRO
C#CCNC(=O)CC[NH+]1CCC(C(=O)OCC)(C(=O)c2ccccc2)CC1	ZINC000295752841	988751753	/nfs/dbraw/zinc/75/17/53/988751753.db2.gz	XLGGIQCYZLHTCK-UHFFFAOYSA-N	1	0	370.449	1.654	20	30		FDEDRO
CCOC(=O)c1cnn(C2CCN(CC(=O)N[C@](C)(C#N)C3CC3)CC2)c1	ZINC000295759468	988753714	/nfs/dbraw/zinc/75/37/14/988753714.db2.gz	XVRVXRDHXBCWTL-LJQANCHMSA-N	1	0	373.457	1.505	20	30		FDEDRO
Cc1nn(C)c(N)c1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000367367451	988947138	/nfs/dbraw/zinc/94/71/38/988947138.db2.gz	KHDFVWNIMPZCTK-UHFFFAOYSA-N	1	0	352.442	1.599	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1C#N	ZINC000873662972	988953543	/nfs/dbraw/zinc/95/35/43/988953543.db2.gz	AROWMSLYUZFLCR-ZIAGYGMSSA-N	1	0	358.442	1.742	20	30		FDEDRO
CCN(CC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1)C[C@H](C)C#N	ZINC000363192366	988982662	/nfs/dbraw/zinc/98/26/62/988982662.db2.gz	CTLMNOKTIGHSJQ-IEBWSBKVSA-N	1	0	358.486	1.485	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000368613493	989000078	/nfs/dbraw/zinc/00/00/78/989000078.db2.gz	JWAWMTWRCPNFDW-CVEARBPZSA-N	1	0	366.506	1.304	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(C(=O)/C=C/c3ccc(OCC#N)cc3)CC2)C1	ZINC000363217756	989002019	/nfs/dbraw/zinc/00/20/19/989002019.db2.gz	BJBISLZHJWOGIM-AIADIJKESA-N	1	0	368.481	1.841	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N(C)C2CC[NH+](C3CCOCC3)CC2)c1	ZINC000368880106	989016279	/nfs/dbraw/zinc/01/62/79/989016279.db2.gz	NYUZAUXKBZBBGO-UHFFFAOYSA-N	1	0	369.465	1.708	20	30		FDEDRO
CC(C)NC(=O)CN1CCCN(C(=O)Cc2ccc(OCC#N)cc2)CC1	ZINC000369171723	989033428	/nfs/dbraw/zinc/03/34/28/989033428.db2.gz	MUVKBUPKEVHVNP-UHFFFAOYSA-N	1	0	372.469	1.190	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1ccc(F)cc1	ZINC000369222200	989035266	/nfs/dbraw/zinc/03/52/66/989035266.db2.gz	ZYUACYLDGCYJGT-ROUUACIJSA-N	1	0	359.449	1.810	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CCN2C(=O)COc3ccccc32)CC1	ZINC000369594627	989062304	/nfs/dbraw/zinc/06/23/04/989062304.db2.gz	ZJZZSDKSUNZOBX-UHFFFAOYSA-N	1	0	355.438	1.406	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)cc1	ZINC000296246401	989068609	/nfs/dbraw/zinc/06/86/09/989068609.db2.gz	CBWPHZIVQBKUAR-KRWDZBQOSA-N	1	0	360.458	1.571	20	30		FDEDRO
COc1cc(C[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)ccc1C#N	ZINC000369723401	989121208	/nfs/dbraw/zinc/12/12/08/989121208.db2.gz	WMFQXHVKLSFYDE-UHFFFAOYSA-N	1	0	370.497	1.943	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCCN(C(=O)c3ccccc3F)CC2)CC1	ZINC000363377769	989142936	/nfs/dbraw/zinc/14/29/36/989142936.db2.gz	JPCGXYNLIYJXHX-UHFFFAOYSA-N	1	0	371.456	1.845	20	30		FDEDRO
Cn1cc([C@H]2[C@H](CNC(=O)Nc3ccn(CCC#N)n3)CCC[N@@H+]2C)cn1	ZINC000363422702	989184755	/nfs/dbraw/zinc/18/47/55/989184755.db2.gz	IQLNBVDVONMAHS-WMLDXEAASA-N	1	0	370.461	1.735	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc1C#N	ZINC000873801012	989220327	/nfs/dbraw/zinc/22/03/27/989220327.db2.gz	ZPCLAVOWMXDIEI-CQSZACIVSA-N	1	0	358.442	1.886	20	30		FDEDRO
Cn1ccnc1[C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)cc(C#N)c2)C1	ZINC000873853068	989328445	/nfs/dbraw/zinc/32/84/45/989328445.db2.gz	KRKILSWBGHZBOL-CYBMUJFWSA-N	1	0	355.373	1.776	20	30		FDEDRO
C[N@H+](CC1CCOCC1)CN1CC(=O)N(Cc2ccccc2C#N)C1=O	ZINC000124713749	989374602	/nfs/dbraw/zinc/37/46/02/989374602.db2.gz	CESUTJQREXFOTM-UHFFFAOYSA-N	1	0	356.426	1.638	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000363663397	989377517	/nfs/dbraw/zinc/37/75/17/989377517.db2.gz	SGNUZARUVSLXDA-HUUCEWRRSA-N	1	0	358.442	1.188	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCC1=CCN(C(=O)OC(C)(C)C)CC1	ZINC000296762056	989400906	/nfs/dbraw/zinc/40/09/06/989400906.db2.gz	FVLOLSNPNRLCDG-UHFFFAOYSA-N	1	0	364.490	1.808	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2	ZINC000296762091	989401464	/nfs/dbraw/zinc/40/14/64/989401464.db2.gz	FVSXZDIVLIPTOO-GOSISDBHSA-N	1	0	373.501	1.281	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1	ZINC000363716362	989405844	/nfs/dbraw/zinc/40/58/44/989405844.db2.gz	RGNIMRSHXWBCPG-UHFFFAOYSA-N	1	0	374.420	1.973	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)c1ccccc1	ZINC000873927431	989466157	/nfs/dbraw/zinc/46/61/57/989466157.db2.gz	BUNANUVEZYSSHJ-GOSISDBHSA-N	1	0	365.437	1.579	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCc1ccccc1CN1CCCC1=O	ZINC000297502639	989552299	/nfs/dbraw/zinc/55/22/99/989552299.db2.gz	QJQXTZRRHRHEQR-UHFFFAOYSA-N	1	0	356.470	1.563	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCCNC(=O)[C@@H]1Cc1ccccc1	ZINC000297589384	989571816	/nfs/dbraw/zinc/57/18/16/989571816.db2.gz	UWDNFBWHLSIGJV-SFHVURJKSA-N	1	0	356.470	1.084	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CCC(CC)([NH+](C)C)CC2)c1	ZINC000874036684	989665005	/nfs/dbraw/zinc/66/50/05/989665005.db2.gz	KUKXZKJIXSXNQR-UHFFFAOYSA-N	1	0	357.454	1.970	20	30		FDEDRO
CC(C)[C@@](C)([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(N)=O	ZINC000297787590	989691253	/nfs/dbraw/zinc/69/12/53/989691253.db2.gz	WOCJZYYZLSNAMC-QGZVFWFLSA-N	1	0	369.387	1.663	20	30		FDEDRO
C=CCN(C(=O)N[C@@H]1CCN(C)C1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000364728689	989741557	/nfs/dbraw/zinc/74/15/57/989741557.db2.gz	KYHLXAJAZAWRQT-ZWKOTPCHSA-N	1	0	356.470	1.689	20	30		FDEDRO
CC(C)N1C(=O)CC[C@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000874246109	989983059	/nfs/dbraw/zinc/98/30/59/989983059.db2.gz	WYODCUWYAJTDAX-SFHVURJKSA-N	1	0	356.470	1.848	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1CCC2(C[C@H]2c2nnc(C(C)C)o2)CC1	ZINC000370823829	990018723	/nfs/dbraw/zinc/01/87/23/990018723.db2.gz	QWUVKGWRTXLGHI-ZDUSSCGKSA-N	1	0	361.446	1.774	20	30		FDEDRO
CON=C(C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1csc(N)n1	ZINC000874323579	990096326	/nfs/dbraw/zinc/09/63/26/990096326.db2.gz	BZKSQDCMUFZVOL-GFCCVEGCSA-N	1	0	351.476	1.553	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](C)[N@H+](C)C2CC2)s1	ZINC000874327146	990097922	/nfs/dbraw/zinc/09/79/22/990097922.db2.gz	XMKMWRLYFUOAGR-GFCCVEGCSA-N	1	0	371.528	1.354	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C	ZINC000968686885	1015537486	/nfs/dbraw/zinc/53/74/86/1015537486.db2.gz	MQIFPQPIEHRMOM-RZFLPCETSA-N	1	0	361.486	1.264	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C	ZINC000874365168	990181739	/nfs/dbraw/zinc/18/17/39/990181739.db2.gz	QGKAEJMPJBIHAF-HZPDHXFCSA-N	1	0	356.426	1.591	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1	ZINC000298726055	990244488	/nfs/dbraw/zinc/24/44/88/990244488.db2.gz	KBRMPTWJTWCGGW-SJORKVTESA-N	1	0	354.458	1.412	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C[C@H](O)COc1ccc(C#N)cc1	ZINC000371295544	990343943	/nfs/dbraw/zinc/34/39/43/990343943.db2.gz	SHBNRVXUKNEYJE-PIKOESSRSA-N	1	0	359.470	1.481	20	30		FDEDRO
CC[NH+]=C(NCc1c(C)nn(C)c1C)N[C@@H]1CCCN(c2cnn(C)c2)C1	ZINC000125052365	990367320	/nfs/dbraw/zinc/36/73/20/990367320.db2.gz	QVLPNKMVWSNQCM-MRXNPFEDSA-N	1	0	372.521	1.495	20	30		FDEDRO
C#CCOc1ccccc1C[N@H+]1CCCN(c2ncccc2C(N)=O)CC1	ZINC000371418443	990417647	/nfs/dbraw/zinc/41/76/47/990417647.db2.gz	CQTRESOIFDBPBT-UHFFFAOYSA-N	1	0	364.449	1.905	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C	ZINC000874841005	990565304	/nfs/dbraw/zinc/56/53/04/990565304.db2.gz	BKZLTQMWLOHHRW-ZWKOTPCHSA-N	1	0	366.469	1.846	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C	ZINC000874841003	990565997	/nfs/dbraw/zinc/56/59/97/990565997.db2.gz	BKZLTQMWLOHHRW-QZTJIDSGSA-N	1	0	366.469	1.846	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000874978171	990664201	/nfs/dbraw/zinc/66/42/01/990664201.db2.gz	OKQUGMSGDYZODW-SFHVURJKSA-N	1	0	371.481	1.312	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C	ZINC000874990986	990688314	/nfs/dbraw/zinc/68/83/14/990688314.db2.gz	XCBFGDRFTNPTAI-UONOGXRCSA-N	1	0	351.472	1.012	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1	ZINC000875058900	990804788	/nfs/dbraw/zinc/80/47/88/990804788.db2.gz	ZVBAESOSDUFGRX-GOSISDBHSA-N	1	0	371.481	1.094	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](OC)C[C@H]2CC(=O)OCC)CC1	ZINC000372242562	990978457	/nfs/dbraw/zinc/97/84/57/990978457.db2.gz	UKGYDIDJPTZUGG-DLBZAZTESA-N	1	0	367.490	1.779	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2c3ccccc3CN2C)CC1	ZINC000875182641	991022013	/nfs/dbraw/zinc/02/20/13/991022013.db2.gz	UNMAAADUWDAKRL-GOSISDBHSA-N	1	0	356.470	1.056	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1	ZINC000875235626	991162332	/nfs/dbraw/zinc/16/23/32/991162332.db2.gz	OCUHAYGKRAPSDZ-AEFFLSMTSA-N	1	0	363.502	1.444	20	30		FDEDRO
CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NCc1ccc(C#N)cc1F	ZINC000875245350	991184358	/nfs/dbraw/zinc/18/43/58/991184358.db2.gz	MEJKHDMFYWVZOR-UHFFFAOYSA-N	1	0	360.433	1.951	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000875249566	991193203	/nfs/dbraw/zinc/19/32/03/991193203.db2.gz	AOANQRRNKUMARQ-BHIYHBOVSA-N	1	0	371.481	1.168	20	30		FDEDRO
CC(C)(O)C[N@@H+]1CCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1	ZINC000372557551	991210918	/nfs/dbraw/zinc/21/09/18/991210918.db2.gz	NMXOMICGCJWEFV-UHFFFAOYSA-N	1	0	355.442	1.887	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)ccc1F	ZINC000372649718	991297622	/nfs/dbraw/zinc/29/76/22/991297622.db2.gz	CRYZBVOGLAZHHG-JKSUJKDBSA-N	1	0	374.416	1.084	20	30		FDEDRO
N#CCc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)cc1	ZINC000372654682	991305914	/nfs/dbraw/zinc/30/59/14/991305914.db2.gz	NAATXTSUEBPUCK-MSOLQXFVSA-N	1	0	370.453	1.139	20	30		FDEDRO
CN1CC[NH+](C[C@H]2CCCN(C(=O)NCc3ccc(C#N)cc3)C2)CC1	ZINC000372657942	991311942	/nfs/dbraw/zinc/31/19/42/991311942.db2.gz	WWIUDHJFZXDTPS-LJQANCHMSA-N	1	0	355.486	1.727	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2	ZINC000372667879	991324755	/nfs/dbraw/zinc/32/47/55/991324755.db2.gz	AJEHLHGNEVBFJS-UHFFFAOYSA-N	1	0	370.453	1.982	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1	ZINC000875386980	991444408	/nfs/dbraw/zinc/44/44/08/991444408.db2.gz	WHDYUVJUYXQWDI-XZZQLLPFSA-N	1	0	351.491	1.463	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C	ZINC000875601683	991790770	/nfs/dbraw/zinc/79/07/70/991790770.db2.gz	QBCZCTOSTTWFNT-SJORKVTESA-N	1	0	363.433	1.089	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N(CC)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000875604554	991793728	/nfs/dbraw/zinc/79/37/28/991793728.db2.gz	PMBBPWFIENWRDX-MOPGFXCFSA-N	1	0	371.481	1.264	20	30		FDEDRO
N#CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2nccn2)C3)cc1	ZINC001095473635	991911200	/nfs/dbraw/zinc/91/12/00/991911200.db2.gz	IZVCPGYNPQKMHS-NJAFHUGGSA-N	1	0	366.425	1.102	20	30		FDEDRO
C=C(C)CN(C)C(=O)C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000410811110	991912665	/nfs/dbraw/zinc/91/26/65/991912665.db2.gz	NJPGQQLGACHUTA-CALCHBBNSA-N	1	0	365.518	1.759	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)cc1C#N	ZINC000373186749	991988010	/nfs/dbraw/zinc/98/80/10/991988010.db2.gz	QUZZIQDCZSTFTK-YOEHRIQHSA-N	1	0	370.453	1.837	20	30		FDEDRO
N#CC[C@@H]1C[C@H]2[C@H](CCC[C@@H]2[NH2+]CCN2CCN(c3ncccn3)CC2)O1	ZINC000373224388	992032199	/nfs/dbraw/zinc/03/21/99/992032199.db2.gz	SXQTUYMUEFZDGV-YRXWBPOGSA-N	1	0	370.501	1.428	20	30		FDEDRO
N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)O1	ZINC000373230792	992035416	/nfs/dbraw/zinc/03/54/16/992035416.db2.gz	RJWCDKVKKPIATP-XBKGKQEASA-N	1	0	374.437	1.984	20	30		FDEDRO
C=CCC[C@H](O)CN1CC[N@@H+](C[C@@H](O)CCC=C)C[C@H]1c1cnn(C)c1	ZINC000373272307	992086496	/nfs/dbraw/zinc/08/64/96/992086496.db2.gz	FFMQKGPYYHERMR-UFYCRDLUSA-N	1	0	362.518	1.733	20	30		FDEDRO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CC[C@@](O)(C3CC3)C2)CC1	ZINC000373277769	992096025	/nfs/dbraw/zinc/09/60/25/992096025.db2.gz	IIMKXFWCHZBVJF-LPHOPBHVSA-N	1	0	374.510	1.304	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000875918376	992190205	/nfs/dbraw/zinc/19/02/05/992190205.db2.gz	QGSFRQRWJOALRT-ZCNNSNEGSA-N	1	0	373.497	1.597	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1	ZINC000373725348	992388853	/nfs/dbraw/zinc/38/88/53/992388853.db2.gz	DMJALWGPEQKSMZ-UHFFFAOYSA-N	1	0	373.428	1.909	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC[N@@H+]1C	ZINC000964932309	1015726853	/nfs/dbraw/zinc/72/68/53/1015726853.db2.gz	DTUYAJLYQFSFML-FVQBIDKESA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1	ZINC000876620450	992746963	/nfs/dbraw/zinc/74/69/63/992746963.db2.gz	LUNDNDVNJCTALX-HOTGVXAUSA-N	1	0	365.861	1.682	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](CN1CCOCC1)c1ccc(C)cc1	ZINC000876714459	992820982	/nfs/dbraw/zinc/82/09/82/992820982.db2.gz	YJGCMSYZZANWSD-DLBZAZTESA-N	1	0	351.878	1.954	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1	ZINC000876721155	992833699	/nfs/dbraw/zinc/83/36/99/992833699.db2.gz	LHWRWICERQVHLD-LBPRGKRZSA-N	1	0	357.241	1.685	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	ZINC000876729267	992842784	/nfs/dbraw/zinc/84/27/84/992842784.db2.gz	JDROXNBAZIEHPX-HNNXBMFYSA-N	1	0	371.890	1.008	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1	ZINC000876779201	992904061	/nfs/dbraw/zinc/90/40/61/992904061.db2.gz	XLVLCEYWUVRUCL-MLGOLLRUSA-N	1	0	353.850	1.869	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCC([C@@H]3CCOC3)CC2)CC1	ZINC000374593045	992906179	/nfs/dbraw/zinc/90/61/79/992906179.db2.gz	IBMYRQSOMMRMGZ-RTBURBONSA-N	1	0	362.518	1.427	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CC[C@H](OCc2ccccn2)C1	ZINC000876900802	992958982	/nfs/dbraw/zinc/95/89/82/992958982.db2.gz	RHFQVYKDMPHMPO-AZUAARDMSA-N	1	0	362.433	1.958	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O	ZINC000877037884	993024568	/nfs/dbraw/zinc/02/45/68/993024568.db2.gz	YSKXSZIWJADALJ-HNNXBMFYSA-N	1	0	363.820	1.704	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)s1	ZINC000877047406	993028986	/nfs/dbraw/zinc/02/89/86/993028986.db2.gz	YSRXXVRXMYUGGM-VXGBXAGGSA-N	1	0	357.501	1.012	20	30		FDEDRO
C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000375282545	993053024	/nfs/dbraw/zinc/05/30/24/993053024.db2.gz	RUWSAYBLVIPVCK-ZWXIBSBJSA-N	1	0	360.502	1.953	20	30		FDEDRO
C=C(Cl)C[C@H](NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)C(=O)OCC	ZINC000877144538	993068625	/nfs/dbraw/zinc/06/86/25/993068625.db2.gz	PARQJDHCJIZPOE-STQMWFEESA-N	1	0	369.853	1.397	20	30		FDEDRO
C=C(Cl)C[C@@H](NC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)C(=O)OCC	ZINC000877144625	993068753	/nfs/dbraw/zinc/06/87/53/993068753.db2.gz	RCFGVFAYWQGGKK-UONOGXRCSA-N	1	0	354.838	1.612	20	30		FDEDRO
Cn1cc(N2CC[C@@]3(CC[N@H+](Cc4ccc(OCC#N)cc4)C3)C2=O)cn1	ZINC001137116699	993083070	/nfs/dbraw/zinc/08/30/70/993083070.db2.gz	NRMVGTAYTJTNAS-HXUWFJFHSA-N	1	0	365.437	1.951	20	30		FDEDRO
COc1ccc(N2CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC2)c(OC)c1	ZINC000877228374	993119965	/nfs/dbraw/zinc/11/99/65/993119965.db2.gz	YRPZDDIARNTFHC-INIZCTEOSA-N	1	0	360.458	1.764	20	30		FDEDRO
COc1cccc([C@@H]([NH3+])C(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1	ZINC000877251010	993149580	/nfs/dbraw/zinc/14/95/80/993149580.db2.gz	WARLGWDVIZVJSR-LJQANCHMSA-N	1	0	350.422	1.915	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(C(COC)COC)CC2)CC1	ZINC000413249746	993189724	/nfs/dbraw/zinc/18/97/24/993189724.db2.gz	ZIXMCOXUXFVYEU-UHFFFAOYSA-N	1	0	368.522	1.016	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CCNC2=O)C3)c1	ZINC001095527408	993216164	/nfs/dbraw/zinc/21/61/64/993216164.db2.gz	XZJVDJIXZHRHLY-MHORFTMASA-N	1	0	352.438	1.306	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC(=O)N1CCC1	ZINC000968859928	1015769538	/nfs/dbraw/zinc/76/95/38/1015769538.db2.gz	UOVIICQBENKQKT-KSZLIROESA-N	1	0	363.502	1.561	20	30		FDEDRO
Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCNCC[NH2+]CC1	ZINC000923692427	993264805	/nfs/dbraw/zinc/26/48/05/993264805.db2.gz	AXMPWWVVEVEBGK-UHFFFAOYSA-N	1	0	364.496	1.265	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1CN1CCC[C@@H](N2CCCS2(=O)=O)C1	ZINC000877485478	993300794	/nfs/dbraw/zinc/30/07/94/993300794.db2.gz	VLIGBJJNWWSXQS-QGZVFWFLSA-N	1	0	362.499	1.624	20	30		FDEDRO
C[NH+](C)CCN(Cc1cn(C[C@H]2CCCO2)nn1)Cc1ccc(C#N)cc1	ZINC000877523318	993319481	/nfs/dbraw/zinc/31/94/81/993319481.db2.gz	XOIMBKACPSWUSI-HXUWFJFHSA-N	1	0	368.485	1.893	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N1CC[C@H](CC[NH3+])C1	ZINC000923699021	993346999	/nfs/dbraw/zinc/34/69/99/993346999.db2.gz	JQXYVJPBFJWDNC-JTQLQIEISA-N	1	0	358.261	1.680	20	30		FDEDRO
C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCO[C@H]1c1ccnn1CC)C2	ZINC001095563851	993503789	/nfs/dbraw/zinc/50/37/89/993503789.db2.gz	KHXKLLPCMRBKNN-QLCXLMDBSA-N	1	0	356.470	1.725	20	30		FDEDRO
CC(=O)[C@](C#N)(CC[N@@H+](C)C[C@@H](O)CN1CCOCC1)c1ccccc1	ZINC000878179826	993767150	/nfs/dbraw/zinc/76/71/50/993767150.db2.gz	QUABVUCVZAQZSR-WOJBJXKFSA-N	1	0	359.470	1.052	20	30		FDEDRO
C#CCOc1ccc(NC(=O)N2CCC([NH+]3CCN(C)CC3)CC2)cc1	ZINC000878666630	994101576	/nfs/dbraw/zinc/10/15/76/994101576.db2.gz	DFJIGCLZGPYLIC-UHFFFAOYSA-N	1	0	356.470	1.942	20	30		FDEDRO
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1	ZINC000878686896	994119017	/nfs/dbraw/zinc/11/90/17/994119017.db2.gz	HDTCDBXNQUIAJH-PKOBYXMFSA-N	1	0	370.453	1.059	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C(N)=O)C(C)(C)C)cc1	ZINC000470978646	994223146	/nfs/dbraw/zinc/22/31/46/994223146.db2.gz	BHBYXSPCNDXOEW-QGZVFWFLSA-N	1	0	360.458	1.822	20	30		FDEDRO
C[C@@H]1C[N@H+](CCC(=O)N(C)CCC#N)C[C@H]1CNC(=O)OC(C)(C)C	ZINC000879211784	994639619	/nfs/dbraw/zinc/63/96/19/994639619.db2.gz	ACNSDCTYEYPYHX-HUUCEWRRSA-N	1	0	352.479	1.841	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CN1C(=O)N[C@@H]([C@@H](O)c2cccnc2)C1=O)C(C)C	ZINC000924485416	994735367	/nfs/dbraw/zinc/73/53/67/994735367.db2.gz	NDBKOJNCCPZMHT-SQNIBIBYSA-N	1	0	372.469	1.734	20	30		FDEDRO
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000879594130	995063904	/nfs/dbraw/zinc/06/39/04/995063904.db2.gz	YMFWSRWZHMAFHY-LJQANCHMSA-N	1	0	356.470	1.484	20	30		FDEDRO
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000879593997	995064699	/nfs/dbraw/zinc/06/46/99/995064699.db2.gz	UVWDKTWUDZGEAM-LJQANCHMSA-N	1	0	356.470	1.484	20	30		FDEDRO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](O)[C@@H](O)C3)sc2C1	ZINC000879609845	995084753	/nfs/dbraw/zinc/08/47/53/995084753.db2.gz	ALXNBAISUMBGPQ-GLQYFDAESA-N	1	0	363.483	1.501	20	30		FDEDRO
O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000654362107	1015920984	/nfs/dbraw/zinc/92/09/84/1015920984.db2.gz	HDCKLJVSKKXDEF-JKSUJKDBSA-N	1	0	367.371	1.517	20	30		FDEDRO
C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cn1cccn1	ZINC001110902321	995510550	/nfs/dbraw/zinc/51/05/50/995510550.db2.gz	UTCZSKPLVRCUGZ-MKXGPGLRSA-N	1	0	358.486	1.549	20	30		FDEDRO
C[N@@H+]1CC[C@@H]1CNC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000925405575	995567219	/nfs/dbraw/zinc/56/72/19/995567219.db2.gz	WYAORFDOYVWRPJ-MRXNPFEDSA-N	1	0	364.453	1.642	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)CN2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc1	ZINC000880206850	995721298	/nfs/dbraw/zinc/72/12/98/995721298.db2.gz	LGIXIIMDKTZQQI-UXHICEINSA-N	1	0	373.497	1.725	20	30		FDEDRO
C[N@@H+]1CCN(CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1(C)C	ZINC000880278027	995779033	/nfs/dbraw/zinc/77/90/33/995779033.db2.gz	ZJAZKOOCRNVXTO-AWEZNQCLSA-N	1	0	353.426	1.538	20	30		FDEDRO
COc1cc(C(=O)N[C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)ccc1C#N	ZINC000926145544	995936718	/nfs/dbraw/zinc/93/67/18/995936718.db2.gz	XIYCMRLFYSOVRV-QQTQMKHKSA-N	1	0	357.454	1.776	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)COc1ccccc1C#N)C2	ZINC000926190939	995970032	/nfs/dbraw/zinc/97/00/32/995970032.db2.gz	YPAJEVBVBMODQY-SMOSDQRPSA-N	1	0	357.454	1.533	20	30		FDEDRO
CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)Cc3ccc(C#N)nc3)C2)[C@@H]1C(C)C	ZINC000926272319	996014724	/nfs/dbraw/zinc/01/47/24/996014724.db2.gz	WASXCIUMMXVNKI-JYBIWHBTSA-N	1	0	356.470	1.482	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2	ZINC000926321144	996053322	/nfs/dbraw/zinc/05/33/22/996053322.db2.gz	OYNAQJCSOMSHBV-NRFANRHFSA-N	1	0	366.465	1.817	20	30		FDEDRO
COC[C@H](CO)[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1	ZINC000926337132	996068181	/nfs/dbraw/zinc/06/81/81/996068181.db2.gz	JEDZCIVAFOEBLP-CABCVRRESA-N	1	0	355.479	1.903	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1	ZINC000926343460	996071365	/nfs/dbraw/zinc/07/13/65/996071365.db2.gz	SBHAPWXOWFREKS-MRXNPFEDSA-N	1	0	351.491	1.548	20	30		FDEDRO
CCN(C(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1)[C@H]1CC[NH2+]C1	ZINC000886996997	996809590	/nfs/dbraw/zinc/80/95/90/996809590.db2.gz	FPXXECHQEBHGFS-IBGZPJMESA-N	1	0	362.433	1.630	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N2CCN(Cc3ccsc3)CC2)CCOCC1	ZINC000887123170	996953632	/nfs/dbraw/zinc/95/36/32/996953632.db2.gz	CEXIWGPQYYCRQH-UHFFFAOYSA-N	1	0	361.511	1.554	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)CCOCC1	ZINC000887123544	996954524	/nfs/dbraw/zinc/95/45/24/996954524.db2.gz	TXZMJCAVIVGDIO-UHFFFAOYSA-N	1	0	371.481	1.829	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CCOCC1	ZINC000887123348	996954534	/nfs/dbraw/zinc/95/45/34/996954534.db2.gz	KNEAEKUEMUZKKZ-UHFFFAOYSA-N	1	0	365.380	1.182	20	30		FDEDRO
CCOCCC[NH+]=C(NCc1nncn1C)NCc1ccc(OC)cc1	ZINC000263983480	997370675	/nfs/dbraw/zinc/37/06/75/997370675.db2.gz	SCSCYNPXJRCORA-UHFFFAOYSA-N	1	0	360.462	1.486	20	30		FDEDRO
COc1ccc([C@H](C[NH+]=C(N(C)C)N(C)C)N2CCOCC2)cc1OC	ZINC000264062017	997392436	/nfs/dbraw/zinc/39/24/36/997392436.db2.gz	CWEJUMKNARRQSE-INIZCTEOSA-N	1	0	364.490	1.556	20	30		FDEDRO
CN(CCNC(=[NH2+])N1CCN(c2ncccn2)CC1)Cc1ccccc1	ZINC000264068285	997394113	/nfs/dbraw/zinc/39/41/13/997394113.db2.gz	CDFIYYQBKOGPTO-UHFFFAOYSA-N	1	0	353.474	1.045	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NC[C@H]1CCCO[C@@H]1c1ccccc1	ZINC000264073014	997395880	/nfs/dbraw/zinc/39/58/80/997395880.db2.gz	DRJMSHRBRZPZJL-RTBURBONSA-N	1	0	360.502	1.781	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NC[C@@H](C(C)C)N2CCOCC2)cc1OC	ZINC000264147211	997414754	/nfs/dbraw/zinc/41/47/54/997414754.db2.gz	YCSPKDUWWHBJLB-INIZCTEOSA-N	1	0	364.490	1.465	20	30		FDEDRO
Cc1cccc2[nH]cc(CCNC(=[NH2+])N3CCN(c4ncccn4)CC3)c21	ZINC000264272303	997443238	/nfs/dbraw/zinc/44/32/38/997443238.db2.gz	MAWRTNNGMCWUGR-UHFFFAOYSA-N	1	0	363.469	1.946	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccc(N3NC(=O)CCC3=O)cc2)CC1	ZINC000264499765	997524956	/nfs/dbraw/zinc/52/49/56/997524956.db2.gz	QBPYMKSHJWMDEU-UHFFFAOYSA-N	1	0	356.426	1.225	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC000264788565	997609872	/nfs/dbraw/zinc/60/98/72/997609872.db2.gz	XJXYCTMFIQCEDG-UPTRSRDDSA-N	1	0	363.462	1.077	20	30		FDEDRO
C#CC[C@@H]1CCN(C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)C1	ZINC000887681792	997645130	/nfs/dbraw/zinc/64/51/30/997645130.db2.gz	MWASRGZEMSVPJA-LJQANCHMSA-N	1	0	354.498	1.989	20	30		FDEDRO
C[C@]1(C#N)CN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)CCO1	ZINC000887692351	997657478	/nfs/dbraw/zinc/65/74/78/997657478.db2.gz	LEJPPEVUJUBIEU-GIVPXCGWSA-N	1	0	369.465	1.666	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)C[C@]2(C)C1	ZINC000887926607	997956559	/nfs/dbraw/zinc/95/65/59/997956559.db2.gz	QEZVYDQIKPQGBF-YRNRMSPPSA-N	1	0	356.445	1.934	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(CN2CCOCC2)n1	ZINC000889281870	998271264	/nfs/dbraw/zinc/27/12/64/998271264.db2.gz	VJVAPTCGPKSQPG-UHFFFAOYSA-N	1	0	374.489	1.613	20	30		FDEDRO
C#CC1CCN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC1	ZINC000826644949	998455441	/nfs/dbraw/zinc/45/54/41/998455441.db2.gz	QWBMJRMWAKLNAY-UHFFFAOYSA-N	1	0	362.518	1.668	20	30		FDEDRO
C[C@@H]1CCC[C@@](CNC(=O)C(=O)Nc2cccc(CC#N)n2)([NH+](C)C)C1	ZINC000889860498	998709426	/nfs/dbraw/zinc/70/94/26/998709426.db2.gz	PGJJJHWMPABFEX-AUUYWEPGSA-N	1	0	357.458	1.713	20	30		FDEDRO
C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)Nc3cccc(CC#N)n3)C2)CC1	ZINC000890042229	998790343	/nfs/dbraw/zinc/79/03/43/998790343.db2.gz	WYZGHFXTFGCDGJ-OAHLLOKOSA-N	1	0	355.442	1.276	20	30		FDEDRO
CC1(C)CC[N@H+](CCNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000890079531	998807494	/nfs/dbraw/zinc/80/74/94/998807494.db2.gz	XYEKJAOYSXFZDR-UHFFFAOYSA-N	1	0	352.442	1.788	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)N[C@@H](C[NH+](C)C)c2ccc(OC)cc2)C1	ZINC000890364613	998915264	/nfs/dbraw/zinc/91/52/64/998915264.db2.gz	DXBOGDDKXLZNTO-HKUYNNGSSA-N	1	0	358.486	1.695	20	30		FDEDRO
CSc1ccc(CNC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)cc1C#N	ZINC000890451002	998948294	/nfs/dbraw/zinc/94/82/94/998948294.db2.gz	QAKVYYUVAHHKJJ-OKILXGFUSA-N	1	0	362.499	1.877	20	30		FDEDRO
CSc1ccc(CNC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1C#N	ZINC000890451029	998948315	/nfs/dbraw/zinc/94/83/15/998948315.db2.gz	RAWKSQFCXZRPHB-MRXNPFEDSA-N	1	0	362.499	1.926	20	30		FDEDRO
CSc1ccc(CNC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1C#N	ZINC000890450747	998948540	/nfs/dbraw/zinc/94/85/40/998948540.db2.gz	JYZKRRCCRNRBBE-INIZCTEOSA-N	1	0	362.499	1.926	20	30		FDEDRO
Cc1nnc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC#Cc2ccc(F)cc2)[nH]1	ZINC001095396178	998977886	/nfs/dbraw/zinc/97/78/86/998977886.db2.gz	LYYDSUMWMLINMU-SQNIBIBYSA-N	1	0	367.428	1.568	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC(=O)N(c3cn[nH]c3)C1)C2	ZINC001095410689	998998008	/nfs/dbraw/zinc/99/80/08/998998008.db2.gz	PWDUGXXHFSXGSN-FSDCSDTHSA-N	1	0	357.458	1.450	20	30		FDEDRO
N#CCc1ccccc1CC(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000777380260	999049523	/nfs/dbraw/zinc/04/95/23/999049523.db2.gz	QXSNHRZVNLAJJY-SFHVURJKSA-N	1	0	354.454	1.236	20	30		FDEDRO
C=CCOCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCn1cc(Cl)cn1)C2	ZINC001111660487	999051282	/nfs/dbraw/zinc/05/12/82/999051282.db2.gz	KSQUIKNGFBYPNW-YOEHRIQHSA-N	1	0	352.866	1.710	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2	ZINC001110862347	999069595	/nfs/dbraw/zinc/06/95/95/999069595.db2.gz	LFOPRRLQBIYKMV-TVFCKZIOSA-N	1	0	374.529	1.110	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)CCCOc1ccc(C#N)cc1OC	ZINC000266140889	999119809	/nfs/dbraw/zinc/11/98/09/999119809.db2.gz	GTKBZVCQVLFSIQ-UHFFFAOYSA-N	1	0	363.458	1.810	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1	ZINC000266361751	999152398	/nfs/dbraw/zinc/15/23/98/999152398.db2.gz	DLYOYAFGOQXWBV-OAHLLOKOSA-N	1	0	362.449	1.843	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1	ZINC000266749774	999226274	/nfs/dbraw/zinc/22/62/74/999226274.db2.gz	RTSSUABCKPSPKS-UHFFFAOYSA-N	1	0	367.352	1.713	20	30		FDEDRO
N#CCOc1cccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1	ZINC000266792642	999234859	/nfs/dbraw/zinc/23/48/59/999234859.db2.gz	WZYUGAOUHJPUGU-MRXNPFEDSA-N	1	0	370.453	1.862	20	30		FDEDRO
C[NH+](C)CCN1C[C@H](C(=O)Nc2ncccc2OCCCC#N)CC1=O	ZINC000266816917	999238997	/nfs/dbraw/zinc/23/89/97/999238997.db2.gz	IUACVZLMLCBOAF-CQSZACIVSA-N	1	0	359.430	1.113	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2Cn2cncn2)CC1	ZINC000266817843	999239188	/nfs/dbraw/zinc/23/91/88/999239188.db2.gz	ZKXJGNIDLCRISW-UHFFFAOYSA-N	1	0	368.441	1.032	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCc4ccc(C#N)cc43)CC[C@H]21	ZINC000270178922	999521912	/nfs/dbraw/zinc/52/19/12/999521912.db2.gz	LODQGDPPJNEWPQ-DLBZAZTESA-N	1	0	352.438	1.390	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)nn1CCC#N	ZINC000271059919	999654527	/nfs/dbraw/zinc/65/45/27/999654527.db2.gz	KPHSTEAAJHGVIA-AWEZNQCLSA-N	1	0	360.462	1.282	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)CC1	ZINC000283429458	999752443	/nfs/dbraw/zinc/75/24/43/999752443.db2.gz	YTRJVEMXALFMRC-UHFFFAOYSA-N	1	0	354.454	1.593	20	30		FDEDRO
C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](CC(C)C)CC1	ZINC000283643447	999759221	/nfs/dbraw/zinc/75/92/21/999759221.db2.gz	PFCVVJAVXUGXDI-UHFFFAOYSA-N	1	0	360.506	1.868	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2cc(OC)ccc2OC)CC1	ZINC000283661519	999760010	/nfs/dbraw/zinc/76/00/10/999760010.db2.gz	VZOYUJYVATWMPQ-UHFFFAOYSA-N	1	0	361.442	1.087	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+](CCOCCO)C(C)C)c(OC)c1	ZINC000283788494	999761465	/nfs/dbraw/zinc/76/14/65/999761465.db2.gz	SRXUTTBQZKQESM-GOSISDBHSA-N	1	0	367.486	1.883	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)NCc1cccnc1OC)C(C)C	ZINC000284297822	999800759	/nfs/dbraw/zinc/80/07/59/999800759.db2.gz	TWGRMJZHKRHIFP-KRWDZBQOSA-N	1	0	374.485	1.521	20	30		FDEDRO
COc1ccc([C@H](C[NH+](C)C)NC(=O)C(=O)Nc2cccc(C#N)c2)cc1	ZINC000284324550	999807265	/nfs/dbraw/zinc/80/72/65/999807265.db2.gz	PZWHVGKVSPNPMB-SFHVURJKSA-N	1	0	366.421	1.924	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(OC(C)C)nc2)CC1	ZINC000284413200	999827734	/nfs/dbraw/zinc/82/77/34/999827734.db2.gz	JZMGBFZEHJGBEA-UHFFFAOYSA-N	1	0	360.458	1.252	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)cc1C#N	ZINC000284505770	999844909	/nfs/dbraw/zinc/84/49/09/999844909.db2.gz	KTUGKKSONXXUGR-DNVCBOLYSA-N	1	0	353.426	1.752	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2COC3(CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C3)C2)C1	ZINC000965803747	1016359881	/nfs/dbraw/zinc/35/98/81/1016359881.db2.gz	FFNJNLMZBKUAEN-OWCLPIDISA-N	1	0	361.486	1.169	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C	ZINC000285076239	999900618	/nfs/dbraw/zinc/90/06/18/999900618.db2.gz	MCMBQRJNPPCHGA-QYZOEREBSA-N	1	0	373.497	1.811	20	30		FDEDRO
CC(=O)N1CCN(CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1	ZINC000285480439	999913687	/nfs/dbraw/zinc/91/36/87/999913687.db2.gz	BMHWHSBISSJWNQ-UHFFFAOYSA-N	1	0	355.486	1.281	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCCCOCc2ccccc2)CC1	ZINC000286101829	999938858	/nfs/dbraw/zinc/93/88/58/999938858.db2.gz	SMZMAYJRFQXIBT-UHFFFAOYSA-N	1	0	373.497	1.866	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCc3c2cccc3O)CC1	ZINC000286272990	999943223	/nfs/dbraw/zinc/94/32/23/999943223.db2.gz	NUGFHAUFHHVYTE-KRWDZBQOSA-N	1	0	357.454	1.652	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(CCOC)Cc2ccccc2)CC1	ZINC000286624182	999945540	/nfs/dbraw/zinc/94/55/40/999945540.db2.gz	LZIVAVLVARHARQ-UHFFFAOYSA-N	1	0	359.470	1.428	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NCCCCC#N	ZINC000286648409	999945751	/nfs/dbraw/zinc/94/57/51/999945751.db2.gz	GELSVVGSRKHVGG-GOSISDBHSA-N	1	0	371.485	1.705	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)CC1	ZINC000286698244	999946351	/nfs/dbraw/zinc/94/63/51/999946351.db2.gz	PTHAKDAADXZLGF-NVXWUHKLSA-N	1	0	359.474	1.059	20	30		FDEDRO
N#Cc1ccc(N2CCC(C(=O)NCC[N@@H+]3CCCOCC3)CC2)c(F)c1	ZINC000286771423	999950326	/nfs/dbraw/zinc/95/03/26/999950326.db2.gz	LOPRELMHYRTCRO-UHFFFAOYSA-N	1	0	374.460	1.752	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C	ZINC000286818139	999951068	/nfs/dbraw/zinc/95/10/68/999951068.db2.gz	AQGHZPKWARNRFG-WMLDXEAASA-N	1	0	357.454	1.467	20	30		FDEDRO
C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)NCCCCC#N)cc1	ZINC000286838707	999952778	/nfs/dbraw/zinc/95/27/78/999952778.db2.gz	ZWONBOFWTMHVGP-UHFFFAOYSA-N	1	0	360.458	1.443	20	30		FDEDRO
C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000288031632	999984380	/nfs/dbraw/zinc/98/43/80/999984380.db2.gz	IHBAERUXCWUSLS-ZFWWWQNUSA-N	1	0	372.473	1.533	20	30		FDEDRO
C=CCC[C@H](NC(=O)C(=O)NCC[N@@H+](C)CCCOC)c1ccccc1	ZINC000288274944	1000003355	/nfs/dbraw/zinc/00/33/55/1000003355.db2.gz	UXOBGVKZYJECFI-SFHVURJKSA-N	1	0	361.486	1.895	20	30		FDEDRO
C=CCCCNC(=O)C(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@H+]1CC	ZINC000288516161	1000023475	/nfs/dbraw/zinc/02/34/75/1000023475.db2.gz	FYXRPFWATXOYJS-SFHVURJKSA-N	1	0	358.486	1.977	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000289404419	1000096825	/nfs/dbraw/zinc/09/68/25/1000096825.db2.gz	NQLMTRGTGQYNEQ-PKOBYXMFSA-N	1	0	373.497	1.722	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1	ZINC000289521465	1000104004	/nfs/dbraw/zinc/10/40/04/1000104004.db2.gz	PTFFOUIGWLILPQ-RBUKOAKNSA-N	1	0	373.497	1.504	20	30		FDEDRO
C#CCOc1ccccc1C[NH2+]C[C@H]1CCCC[C@@H]1NS(C)(=O)=O	ZINC000796486768	1016389395	/nfs/dbraw/zinc/38/93/95/1016389395.db2.gz	QBMXZJIFCHWWBH-WBVHZDCISA-N	1	0	350.484	1.896	20	30		FDEDRO
C=C[C@H](CO)NC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1	ZINC000291271110	1000179035	/nfs/dbraw/zinc/17/90/35/1000179035.db2.gz	MZFCPTJVYLTIGA-GOEBONIOSA-N	1	0	364.465	1.875	20	30		FDEDRO
CC(C)CCOCCNC(=O)CN1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292091960	1000208653	/nfs/dbraw/zinc/20/86/53/1000208653.db2.gz	FQDRYCDRYZFHKU-KRWDZBQOSA-N	1	0	360.458	1.585	20	30		FDEDRO
Cc1cc(CON=C(N)c2ccccc2C[NH+]2CCC(O)CC2)ncn1	ZINC000292103659	1000210317	/nfs/dbraw/zinc/21/03/17/1000210317.db2.gz	PKYJREOGOOUUAU-UHFFFAOYSA-N	1	0	355.442	1.579	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CC[C@@]4(CC[NH2+]C4)C3)cc21	ZINC000927797135	1001055966	/nfs/dbraw/zinc/05/59/66/1001055966.db2.gz	AXHWQNXUCHPXPB-LJQANCHMSA-N	1	0	353.426	1.373	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CC[C@@]4(C3)CCC[NH2+]C4)cc21	ZINC000927800833	1001060056	/nfs/dbraw/zinc/06/00/56/1001060056.db2.gz	JVHYQJINVMQIKX-FQEVSTJZSA-N	1	0	367.453	1.763	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)cc1	ZINC000927813114	1001074066	/nfs/dbraw/zinc/07/40/66/1001074066.db2.gz	XRWSCKQERMAJLF-RHSMWYFYSA-N	1	0	370.453	1.163	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1	ZINC000927843253	1001100960	/nfs/dbraw/zinc/10/09/60/1001100960.db2.gz	WKZPGYCQVXFYGB-CHWSQXEVSA-N	1	0	354.332	1.429	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c1	ZINC000927843255	1001101088	/nfs/dbraw/zinc/10/10/88/1001101088.db2.gz	WKZPGYCQVXFYGB-QWHCGFSZSA-N	1	0	354.332	1.429	20	30		FDEDRO
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1	ZINC000927881931	1001176562	/nfs/dbraw/zinc/17/65/62/1001176562.db2.gz	KLRWIHKGXGYDAP-HXUWFJFHSA-N	1	0	359.470	1.789	20	30		FDEDRO
[NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1	ZINC000927928042	1001223505	/nfs/dbraw/zinc/22/35/05/1001223505.db2.gz	YSWRLJVLLBQPKA-DLBZAZTESA-N	1	0	362.433	1.664	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12	ZINC000928100772	1001377825	/nfs/dbraw/zinc/37/78/25/1001377825.db2.gz	ZLPVZBMCULJJMM-GJZGRUSLSA-N	1	0	361.467	1.642	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Cc2nnc(-c3ccccc3OC)o2)CC1	ZINC000928648277	1001606225	/nfs/dbraw/zinc/60/62/25/1001606225.db2.gz	IUDGURCOYWMCSO-UHFFFAOYSA-N	1	0	354.410	1.502	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CC(c3cc(OC)ccc3OC)=NO2)CC1	ZINC000928653250	1001610519	/nfs/dbraw/zinc/61/05/19/1001610519.db2.gz	FSQJBEBVKJYAEF-LJQANCHMSA-N	1	0	371.437	1.411	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccc(S[C@H]3CCOC3=O)cc2)CC1	ZINC000928655533	1001611961	/nfs/dbraw/zinc/61/19/61/1001611961.db2.gz	YQJHJYCBQVMORZ-KRWDZBQOSA-N	1	0	358.463	1.922	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1	ZINC000928657867	1001613245	/nfs/dbraw/zinc/61/32/45/1001613245.db2.gz	CDDFURPCGWZYCI-UHFFFAOYSA-N	1	0	373.478	1.591	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CCc2c(C)[nH]c3nn(C)c(=O)c-3c2C)CC1	ZINC000928658083	1001613297	/nfs/dbraw/zinc/61/32/97/1001613297.db2.gz	LBGGYQIRJNYUBO-UHFFFAOYSA-N	1	0	369.469	1.025	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)CC1	ZINC000928657978	1001613356	/nfs/dbraw/zinc/61/33/56/1001613356.db2.gz	HTKVUAGZSKQPFQ-HNNXBMFYSA-N	1	0	369.531	1.847	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C[C@@H](c2ccccc2)N2CCOC2=O)CC1	ZINC000928658422	1001613888	/nfs/dbraw/zinc/61/38/88/1001613888.db2.gz	RNKRJCYKWXRHAZ-SFHVURJKSA-N	1	0	355.438	1.784	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CN2C(=O)NC3(CCC(CC)CC3)C2=O)CC1	ZINC000928659054	1001614705	/nfs/dbraw/zinc/61/47/05/1001614705.db2.gz	DGLGYEKMBXMNOA-UHFFFAOYSA-N	1	0	374.485	1.091	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H](C(C)C)N2Cc3ccccc3C2=O)CC1	ZINC000928660408	1001615690	/nfs/dbraw/zinc/61/56/90/1001615690.db2.gz	CWKNZYYNVBOFRP-LJQANCHMSA-N	1	0	353.466	1.881	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)CC1	ZINC000928661026	1001615771	/nfs/dbraw/zinc/61/57/71/1001615771.db2.gz	KWWZSHCHLICPQC-UHFFFAOYSA-N	1	0	355.482	1.928	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCc3nn(C)cc31)C2	ZINC001110947446	1001618603	/nfs/dbraw/zinc/61/86/03/1001618603.db2.gz	OGOLLCYUBKANAL-RGCFKVTRSA-N	1	0	358.486	1.764	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC000948458531	1002362947	/nfs/dbraw/zinc/36/29/47/1002362947.db2.gz	UDTKUHJGMWBPQV-KBRIMQKVSA-N	1	0	357.458	1.336	20	30		FDEDRO
C[C@@H]1CN(Cc2ccccc2NC(=O)NCC#CC[NH+](C)C)C[C@H](C)O1	ZINC000929770801	1002421217	/nfs/dbraw/zinc/42/12/17/1002421217.db2.gz	YJLXSTQONSEWJE-CALCHBBNSA-N	1	0	358.486	1.982	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1	ZINC000929942439	1002625542	/nfs/dbraw/zinc/62/55/42/1002625542.db2.gz	NDNUUKJIQLBRJG-UHFFFAOYSA-N	1	0	356.470	1.928	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2cccc(NC(=O)[C@@H](C)OC)c2)CC1	ZINC000929958761	1002656683	/nfs/dbraw/zinc/65/66/83/1002656683.db2.gz	KMWLUHIBSFJJDC-CQSZACIVSA-N	1	0	358.442	1.879	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2	ZINC001111282622	1002663786	/nfs/dbraw/zinc/66/37/86/1002663786.db2.gz	YRFGDIUGBHSTTE-KURKYZTESA-N	1	0	372.513	1.004	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCC[C@@H]2OCCc3ccccc32)CC1	ZINC000930006426	1002728400	/nfs/dbraw/zinc/72/84/00/1002728400.db2.gz	GCMZMACFHYFITL-IBGZPJMESA-N	1	0	371.481	1.573	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Nc1cccc(C(=O)N2CCSCC2)c1	ZINC000930035577	1002754680	/nfs/dbraw/zinc/75/46/80/1002754680.db2.gz	ACHLJALELKWAEU-UHFFFAOYSA-N	1	0	374.510	1.952	20	30		FDEDRO
CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)CC1	ZINC000948849243	1002757139	/nfs/dbraw/zinc/75/71/39/1002757139.db2.gz	NARLBDCOMRCRDS-GUDVDZBRSA-N	1	0	358.486	1.624	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[NH+]2CCC(O)(CN3CCOCC3)CC2)cc1	ZINC000930166773	1002901972	/nfs/dbraw/zinc/90/19/72/1002901972.db2.gz	HSDIEIRXRINJNQ-UHFFFAOYSA-N	1	0	371.481	1.156	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1	ZINC000949018342	1002937415	/nfs/dbraw/zinc/93/74/15/1002937415.db2.gz	XQQYQDHZSONXCW-XYPHTWIQSA-N	1	0	357.458	1.336	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(CNC(=O)[C@@H]3C[C@H]3C3CC3)CC2)CC1	ZINC000949052380	1002958803	/nfs/dbraw/zinc/95/88/03/1002958803.db2.gz	FUQSLVUBLCHBMT-VQTJNVASSA-N	1	0	371.525	1.733	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1	ZINC000949134055	1003024799	/nfs/dbraw/zinc/02/47/99/1003024799.db2.gz	VZSNUASFMNKSLE-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1	ZINC000930444188	1003138680	/nfs/dbraw/zinc/13/86/80/1003138680.db2.gz	WMVOUOYKTDTLQZ-KRWDZBQOSA-N	1	0	363.483	1.352	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)Nc1ccc(OCC(=O)OC)c(Cl)c1	ZINC000930468337	1003170898	/nfs/dbraw/zinc/17/08/98/1003170898.db2.gz	YVWBIZVDAFZGAB-UHFFFAOYSA-N	1	0	367.833	1.968	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCC(C)(C)[C@H]1CCCCO1)C1CC[NH+](C)CC1	ZINC000930507360	1003216399	/nfs/dbraw/zinc/21/63/99/1003216399.db2.gz	GWSZBKXUJZDLQY-QGZVFWFLSA-N	1	0	363.502	1.254	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)C1CC[NH+](C)CC1	ZINC000930569201	1003278440	/nfs/dbraw/zinc/27/84/40/1003278440.db2.gz	BRCMGPABNGMYRN-KZNAEPCWSA-N	1	0	373.497	1.006	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH+]2CCN(C(=O)CC#N)CC2)C1	ZINC000930629962	1003343082	/nfs/dbraw/zinc/34/30/82/1003343082.db2.gz	HGXHOFHVFMVDBA-LSDHHAIUSA-N	1	0	350.463	1.738	20	30		FDEDRO
COC(=O)C1(C#N)CCN(C[C@@H](O)COCc2cccc(OC)c2)CC1	ZINC000930639764	1003353484	/nfs/dbraw/zinc/35/34/84/1003353484.db2.gz	PRUQSLUHPFZWLD-MRXNPFEDSA-N	1	0	362.426	1.351	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1	ZINC000949484352	1003387559	/nfs/dbraw/zinc/38/75/59/1003387559.db2.gz	GZOSCUHGBLFTJH-NXHRZFHOSA-N	1	0	363.502	1.417	20	30		FDEDRO
CCOC(=O)C1CCC(O)(C[C@H](O)C[N@@H+]2CCC[C@@H](CC#N)C2)CC1	ZINC000930921066	1003664613	/nfs/dbraw/zinc/66/46/13/1003664613.db2.gz	AXOBWKDFHLGSII-WPZCVXBKSA-N	1	0	352.475	1.847	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCO[C@@H]2CCOC2)nc1	ZINC001111293330	1003685160	/nfs/dbraw/zinc/68/51/60/1003685160.db2.gz	ZIKYRQNEZRGERQ-LFGUQSLTSA-N	1	0	369.465	1.594	20	30		FDEDRO
C#CC1(O)CC[NH+]([C@H](C)C(=O)N(C)Cc2ccc(OC)c(OC)c2)CC1	ZINC000931143742	1003921553	/nfs/dbraw/zinc/92/15/53/1003921553.db2.gz	LQXKHEWJKRFLIK-OAHLLOKOSA-N	1	0	360.454	1.511	20	30		FDEDRO
C#CC1(O)CCN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1	ZINC000931147815	1003924125	/nfs/dbraw/zinc/92/41/25/1003924125.db2.gz	KOPMBYOCUXPYMX-UHFFFAOYSA-N	1	0	373.522	1.634	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)Nc1ccc2c(c1)CCC(=O)N2COC	ZINC000931230434	1003980814	/nfs/dbraw/zinc/98/08/14/1003980814.db2.gz	BQTUQNJCJXZGSY-UHFFFAOYSA-N	1	0	358.442	1.646	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)Nc1ccc(O[C@@H]2CCN(C)C2=O)cc1C	ZINC000931267717	1004008850	/nfs/dbraw/zinc/00/88/50/1004008850.db2.gz	UINTVRSMFXUHSU-GOSISDBHSA-N	1	0	372.469	1.681	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC(O)(C[NH+](C)C)CC2)c1	ZINC000931487477	1004205976	/nfs/dbraw/zinc/20/59/76/1004205976.db2.gz	BTIURLIZAODKLS-UHFFFAOYSA-N	1	0	372.513	1.939	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1	ZINC000931594059	1004298094	/nfs/dbraw/zinc/29/80/94/1004298094.db2.gz	GDFVOCFIJHXLOD-HNNXBMFYSA-N	1	0	358.417	1.258	20	30		FDEDRO
CCCN(CC[NH+](CC)CC)C(=O)C(=O)NCc1cc(C#N)ccc1F	ZINC000931596486	1004301260	/nfs/dbraw/zinc/30/12/60/1004301260.db2.gz	YUQITNWPARJTEG-UHFFFAOYSA-N	1	0	362.449	1.894	20	30		FDEDRO
COc1ccccc1C[C@](C)(CO)[NH2+]CC(=O)NCc1ccc(C#N)cc1	ZINC000931602979	1004305855	/nfs/dbraw/zinc/30/58/55/1004305855.db2.gz	KJJWOCXANMRNHK-OAQYLSRUSA-N	1	0	367.449	1.766	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)NCC[N@@H+](C)[C@@H](C)CC)c1	ZINC000931658534	1004375426	/nfs/dbraw/zinc/37/54/26/1004375426.db2.gz	JCFRUKZGZJGMMO-HNNXBMFYSA-N	1	0	350.484	1.944	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1C	ZINC000931696675	1004422708	/nfs/dbraw/zinc/42/27/08/1004422708.db2.gz	CGVAWZGOIIBROY-UHFFFAOYSA-N	1	0	366.487	1.322	20	30		FDEDRO
C[C@]1([C@H]2CCC[N@H+](CC(=O)NCc3ccc(C#N)cc3)C2)COC(=O)N1	ZINC000932025443	1004715422	/nfs/dbraw/zinc/71/54/22/1004715422.db2.gz	GGOCJEKQGSXPLX-QFBILLFUSA-N	1	0	356.426	1.385	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2cc(C(=O)OC)cnc2Cl)CC1	ZINC000932032794	1004720880	/nfs/dbraw/zinc/72/08/80/1004720880.db2.gz	PRZRFZIIEVUZNQ-UHFFFAOYSA-N	1	0	350.806	1.741	20	30		FDEDRO
CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000932438452	1004958527	/nfs/dbraw/zinc/95/85/27/1004958527.db2.gz	XGUKZDAARDXGNS-AEFFLSMTSA-N	1	0	359.470	1.871	20	30		FDEDRO
C#CC[N@H+](CC(=O)NCc1ccccc1CN1CCOCC1)C(C)(C)C	ZINC000932464501	1004972403	/nfs/dbraw/zinc/97/24/03/1004972403.db2.gz	CRYOBJCMQAJCAC-UHFFFAOYSA-N	1	0	357.498	1.869	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)[NH+](C)C)C2	ZINC001111036202	1005033453	/nfs/dbraw/zinc/03/34/53/1005033453.db2.gz	SOEGEILVTUCFMZ-BDXSIMOUSA-N	1	0	364.534	1.473	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC([C@H]3COC(=O)N3)CC2)cc1	ZINC000932770831	1005159558	/nfs/dbraw/zinc/15/95/58/1005159558.db2.gz	NLEGMHZUOSUBGP-FUHWJXTLSA-N	1	0	359.426	1.313	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH+]1CCC(OC2CN(C(=O)OC(C)(C)C)C2)CC1	ZINC000932797101	1005184122	/nfs/dbraw/zinc/18/41/22/1005184122.db2.gz	BWEXYGGZDYWEPV-AWEZNQCLSA-N	1	0	365.474	1.225	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCC(O)(C3CCC3)CC2)CC1	ZINC000932820199	1005197327	/nfs/dbraw/zinc/19/73/27/1005197327.db2.gz	LMSRWPLOOVHVGT-SFHVURJKSA-N	1	0	362.518	1.306	20	30		FDEDRO
N#CC[C@@H](NC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(F)(F)F	ZINC000932915854	1005242995	/nfs/dbraw/zinc/24/29/95/1005242995.db2.gz	PEGUVNCWNVEIQC-GDBMZVCRSA-N	1	0	370.375	1.767	20	30		FDEDRO
CN1CC[NH+](CC2CCN(C(=O)N[C@@H](CC#N)C(F)(F)F)CC2)CC1	ZINC000932922331	1005246056	/nfs/dbraw/zinc/24/60/56/1005246056.db2.gz	MBRGUJVOIDCMSX-AWEZNQCLSA-N	1	0	361.412	1.500	20	30		FDEDRO
C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCO[C@](C)(C#N)C1	ZINC000933601777	1005587712	/nfs/dbraw/zinc/58/77/12/1005587712.db2.gz	PYPNVRVPGXQGPX-LAUBAEHRSA-N	1	0	370.497	1.770	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH+]2CCC(N3CCCOC3=O)CC2)CCOCC1	ZINC000933615410	1005589274	/nfs/dbraw/zinc/58/92/74/1005589274.db2.gz	MQLLXIDIBKMPLJ-MRXNPFEDSA-N	1	0	351.447	1.364	20	30		FDEDRO
CN(C[C@@H](O)C[NH+]1CCC2(CC1)CC(=O)C=CO2)C(=O)OC(C)(C)C	ZINC000933645334	1005597920	/nfs/dbraw/zinc/59/79/20/1005597920.db2.gz	MEOLIBBHUFASOU-OAHLLOKOSA-N	1	0	354.447	1.552	20	30		FDEDRO
COC(=O)C1([C@]2(O)CCC[N@H+](C[C@H](O)c3ccc(C#N)cc3)C2)CCC1	ZINC000933841266	1005646070	/nfs/dbraw/zinc/64/60/70/1005646070.db2.gz	QOVOFPRPNFCWPJ-PXNSSMCTSA-N	1	0	358.438	1.762	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCC(F)(F)CC1)C2	ZINC001111063159	1005652309	/nfs/dbraw/zinc/65/23/09/1005652309.db2.gz	BDMWLUNSGLUVEP-XZDPQHSOSA-N	1	0	367.440	1.671	20	30		FDEDRO
CO[C@@H]1CC[C@@H]1[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000934119109	1005695890	/nfs/dbraw/zinc/69/58/90/1005695890.db2.gz	VUEJDRJZIYLUQX-GBESFXJTSA-N	1	0	374.460	1.644	20	30		FDEDRO
C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000934467691	1005749629	/nfs/dbraw/zinc/74/96/29/1005749629.db2.gz	YPTMRYWETABEGV-GZBFAFLISA-N	1	0	351.472	1.550	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c1	ZINC000935316027	1005889289	/nfs/dbraw/zinc/88/92/89/1005889289.db2.gz	OQIBXDOUIZZPPR-OAHLLOKOSA-N	1	0	360.479	1.864	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N	ZINC000935379079	1005901818	/nfs/dbraw/zinc/90/18/18/1005901818.db2.gz	IVTHPLFRISLGPA-QLFBSQMISA-N	1	0	350.463	1.734	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1	ZINC000936031210	1006249844	/nfs/dbraw/zinc/24/98/44/1006249844.db2.gz	VMHPPOBFVQPKMF-HNNXBMFYSA-N	1	0	350.484	1.942	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)nc1C(C)(C)C)C2	ZINC001111154858	1006498806	/nfs/dbraw/zinc/49/88/06/1006498806.db2.gz	NBWNJJMJWBPWJC-OIISXLGYSA-N	1	0	358.486	1.703	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)CC1	ZINC000155949211	1006745177	/nfs/dbraw/zinc/74/51/77/1006745177.db2.gz	DUQBXNRQIMTBDZ-FQEVSTJZSA-N	1	0	355.482	1.037	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1	ZINC000954842533	1007050591	/nfs/dbraw/zinc/05/05/91/1007050591.db2.gz	JJLANNBMEVXZJV-IRXDYDNUSA-N	1	0	361.486	1.123	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1	ZINC000779043800	1007210757	/nfs/dbraw/zinc/21/07/57/1007210757.db2.gz	USDYHJDFQUJEDG-HXUWFJFHSA-N	1	0	370.474	1.909	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NCCCN(C)c2nc(Cl)c(C#N)s2)O1	ZINC001095770659	1007322063	/nfs/dbraw/zinc/32/20/63/1007322063.db2.gz	ADELPFKYJJMYGT-GHMZBOCLSA-N	1	0	371.894	1.330	20	30		FDEDRO
CN(C)C(=O)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccccc2C#N)CC1	ZINC001111265377	1007362398	/nfs/dbraw/zinc/36/23/98/1007362398.db2.gz	GSWUNEZHQMEFCV-KURKYZTESA-N	1	0	366.465	1.648	20	30		FDEDRO
C=CCc1cc(OC)cc(C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)c1O	ZINC000795653916	1007363370	/nfs/dbraw/zinc/36/33/70/1007363370.db2.gz	SJKCADVNIKGZSN-KRWDZBQOSA-N	1	0	368.499	1.985	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(N3CCCC3)nn1)C2	ZINC001111265492	1007364418	/nfs/dbraw/zinc/36/44/18/1007364418.db2.gz	LMTPJZYJJPYVAX-NXHRZFHOSA-N	1	0	371.485	1.615	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@]12CCC(=O)N1CCS2)C(C)C	ZINC000642243710	1007380714	/nfs/dbraw/zinc/38/07/14/1007380714.db2.gz	NHAHXHWNTWHUSJ-YJBOKZPZSA-N	1	0	351.516	1.867	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1	ZINC000956012173	1007760332	/nfs/dbraw/zinc/76/03/32/1007760332.db2.gz	NQCFCPPQDSZAOZ-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1	ZINC000956053058	1007827632	/nfs/dbraw/zinc/82/76/32/1007827632.db2.gz	CHWTVFQKBJWDCK-KSZLIROESA-N	1	0	363.502	1.561	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1	ZINC000956500612	1008182766	/nfs/dbraw/zinc/18/27/66/1008182766.db2.gz	GQSAYEGBOPBQNR-IKGGRYGDSA-N	1	0	365.518	1.661	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=O)CC[NH+]2CCC(C#N)CC2)CC1	ZINC000795881352	1008312943	/nfs/dbraw/zinc/31/29/43/1008312943.db2.gz	YIDSLAMWYDNNCK-UHFFFAOYSA-N	1	0	350.463	1.691	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@](C)(C=C)CC)C[C@H]2C)CC1	ZINC000958564050	1008710446	/nfs/dbraw/zinc/71/04/46/1008710446.db2.gz	KPFOOQNUWYGETR-HGHGUNKESA-N	1	0	359.514	1.897	20	30		FDEDRO
[NH2+]=C(NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)NC[C@@H]1CCCO1	ZINC000303251398	1008764014	/nfs/dbraw/zinc/76/40/14/1008764014.db2.gz	AGIOPFWCSKDFAQ-IRXDYDNUSA-N	1	0	360.458	1.179	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCC[N@H+]3CCC)C2)c1	ZINC000958715210	1008986092	/nfs/dbraw/zinc/98/60/92/1008986092.db2.gz	QMBCKIOPSVRSNN-LZQZEXGQSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C	ZINC000950432578	1009166045	/nfs/dbraw/zinc/16/60/45/1009166045.db2.gz	VBTLLDCAQDFQOE-QRQLOZEOSA-N	1	0	371.481	1.670	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(Cc4ccc(F)c(C#N)c4)C[C@H]32)CC[N@@H+]1C	ZINC000959967180	1009223966	/nfs/dbraw/zinc/22/39/66/1009223966.db2.gz	ODXGUZHRLFORKK-OCBLOMHFSA-N	1	0	370.472	1.974	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC000960034209	1009358335	/nfs/dbraw/zinc/35/83/35/1009358335.db2.gz	WOBYPBWNAIINKB-SNRMKQJTSA-N	1	0	357.454	1.833	20	30		FDEDRO
Cn1c(CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)nc2ccccc21	ZINC000303769211	1009572602	/nfs/dbraw/zinc/57/26/02/1009572602.db2.gz	AVPNTUYKFBYBBP-UHFFFAOYSA-N	1	0	372.473	1.941	20	30		FDEDRO
CC(C)[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)N1CCOCC1	ZINC000303771948	1009575179	/nfs/dbraw/zinc/57/51/79/1009575179.db2.gz	DCBCJDAOKBCMJM-MRXNPFEDSA-N	1	0	362.474	1.931	20	30		FDEDRO
N#CCOc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2C(N)=O)cc1	ZINC000960137250	1009575917	/nfs/dbraw/zinc/57/59/17/1009575917.db2.gz	LSHRUSMGFSHEAI-JQHSSLGASA-N	1	0	370.453	1.181	20	30		FDEDRO
CCCC(=O)Nc1cccc(CNC(NCCN2CCOCC2)=[NH+]C)c1	ZINC000303902413	1009685520	/nfs/dbraw/zinc/68/55/20/1009685520.db2.gz	TYVOKPAYHNZVPI-UHFFFAOYSA-N	1	0	361.490	1.422	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[NH+]3CCCC3)C2)cc1	ZINC000951113295	1010468019	/nfs/dbraw/zinc/46/80/19/1010468019.db2.gz	WWRDZMAEJRQROS-VQIMIIECSA-N	1	0	371.481	1.924	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N	ZINC000304808830	1010498715	/nfs/dbraw/zinc/49/87/15/1010498715.db2.gz	UZQBXHNAQVNUCO-GFCCVEGCSA-N	1	0	373.436	1.337	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)CN(C)C1=O)C2	ZINC001111369846	1010796904	/nfs/dbraw/zinc/79/69/04/1010796904.db2.gz	UDMUBTUPEKKVEL-OAGGEKHMSA-N	1	0	362.474	1.348	20	30		FDEDRO
C[C@H]1CNC(NN=C2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)=[NH+]1	ZINC000779793890	1011007774	/nfs/dbraw/zinc/00/77/74/1011007774.db2.gz	BMWGTAAVAHUERR-JSGCOSHPSA-N	1	0	353.426	1.909	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2cn(C(C)C)nn2)C1	ZINC000962413665	1011241434	/nfs/dbraw/zinc/24/14/34/1011241434.db2.gz	AACDETHWHXONJL-RLNQZENFSA-N	1	0	361.490	1.825	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1C	ZINC000952380230	1011664096	/nfs/dbraw/zinc/66/40/96/1011664096.db2.gz	PHSPVHSBMZOADI-KFWWJZLASA-N	1	0	367.440	1.483	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@H]2OCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@H]2C1	ZINC000960957091	1011767640	/nfs/dbraw/zinc/76/76/40/1011767640.db2.gz	YTNWVFKECMDSJB-IXDOHACOSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=CCn1cc(C(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)nn1	ZINC000650542402	1012188209	/nfs/dbraw/zinc/18/82/09/1012188209.db2.gz	FXSBHDLHGMLHJM-RTBURBONSA-N	1	0	367.453	1.580	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](C[N@@H+](C)Cc2cnnn2C)C1	ZINC001017226641	1012230406	/nfs/dbraw/zinc/23/04/06/1012230406.db2.gz	LMCRKPDZJJRQKQ-NJAFHUGGSA-N	1	0	361.490	1.467	20	30		FDEDRO
CC(C)OC(=O)CCCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000305791057	1012547419	/nfs/dbraw/zinc/54/74/19/1012547419.db2.gz	AUPSVCAIVISDLN-CQSZACIVSA-N	1	0	368.478	1.599	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1nccn1C)C2	ZINC000963815846	1012731412	/nfs/dbraw/zinc/73/14/12/1012731412.db2.gz	LRCCQOQDTPFKKP-MIKZSQDASA-N	1	0	358.486	1.918	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]2C1	ZINC000961770760	1012811951	/nfs/dbraw/zinc/81/19/51/1012811951.db2.gz	ZZKOQOBCZSSAQO-WKULXVSPSA-N	1	0	363.502	1.081	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc4nsnc43)C[C@H]21	ZINC000961812295	1012877298	/nfs/dbraw/zinc/87/72/98/1012877298.db2.gz	FQTSMKFEPIEXJL-RIENRQNYSA-N	1	0	370.478	1.829	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccnc(N(C)C)c3)C[C@H]21	ZINC000961828039	1012898261	/nfs/dbraw/zinc/89/82/61/1012898261.db2.gz	WGPRXDHOSBNBAN-GJGATLCTSA-N	1	0	356.470	1.285	20	30		FDEDRO
N#Cc1ccc(F)c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1	ZINC000961839892	1012921924	/nfs/dbraw/zinc/92/19/24/1012921924.db2.gz	LWCPBJAKCHWLMO-SGVZTEBKSA-N	1	0	355.413	1.811	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1	ZINC000636495679	1012984972	/nfs/dbraw/zinc/98/49/72/1012984972.db2.gz	SMITYRUXVSDTMI-UHFFFAOYSA-N	1	0	373.501	1.168	20	30		FDEDRO
C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCO[C@H]3c3nccn3C)C2)C1	ZINC000963961256	1013011955	/nfs/dbraw/zinc/01/19/55/1013011955.db2.gz	MGBWFOOKTOXNTD-SWGIKSQZSA-N	1	0	356.470	1.538	20	30		FDEDRO
CO[C@@H](C)c1noc(CN2CCCN(Cc3cc(C#N)n(C)c3)CC2)n1	ZINC000191437668	178055308	/nfs/dbraw/zinc/05/53/08/178055308.db2.gz	KVWPYTGTIXGPHO-AWEZNQCLSA-N	1	0	358.446	1.695	20	30		FDEDRO
Cc1cc(S(=O)(=O)NCC[NH2+]Cc2cc(C#N)n(C)c2)c(C)s1	ZINC000191448201	178056283	/nfs/dbraw/zinc/05/62/83/178056283.db2.gz	SMICYPFNXVXFJE-UHFFFAOYSA-N	1	0	352.485	1.643	20	30		FDEDRO
Cn1cc(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c(-c2ccc(C#N)cc2)n1	ZINC000192647485	178124836	/nfs/dbraw/zinc/12/48/36/178124836.db2.gz	ZILZZXXWDAUFGF-LJQANCHMSA-N	1	0	364.409	1.133	20	30		FDEDRO
C[C@](CO)([NH2+]CC(=O)NC1(C#N)CCC1)c1ccc(Br)cc1	ZINC000511559654	538961060	/nfs/dbraw/zinc/96/10/60/538961060.db2.gz	BSFWVWCQQWNHRW-OAHLLOKOSA-N	1	0	366.259	1.809	20	30		FDEDRO
C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCC(C)(C)C#N	ZINC000512783836	538980499	/nfs/dbraw/zinc/98/04/99/538980499.db2.gz	OYWCMEXSDAEYEA-INIZCTEOSA-N	1	0	359.474	1.124	20	30		FDEDRO
N#Cc1csc(C[NH2+]C[C@@H]2CCCN(c3nccn4cnnc34)C2)n1	ZINC000514892987	539021440	/nfs/dbraw/zinc/02/14/40/539021440.db2.gz	KNBXHCRGDCDGNM-LBPRGKRZSA-N	1	0	354.443	1.459	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1	ZINC000516233169	539024955	/nfs/dbraw/zinc/02/49/55/539024955.db2.gz	XGRQZOMMFXPWRU-JKSUJKDBSA-N	1	0	354.454	1.922	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)CC1	ZINC000517618335	539375238	/nfs/dbraw/zinc/37/52/38/539375238.db2.gz	AUWWWGBKLJVCCQ-HNNXBMFYSA-N	1	0	362.449	1.419	20	30		FDEDRO
COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)CN1CC[NH+](C)CC1	ZINC000264498767	179123286	/nfs/dbraw/zinc/12/32/86/179123286.db2.gz	ZOOMTOFJEDNKSF-MRXNPFEDSA-N	1	0	374.485	1.478	20	30		FDEDRO
N#Cc1ccc(N2C(=O)C[C@@H](N3CC[C@@H]([NH+]4CCCCC4)C3)C2=O)cc1	ZINC000264560793	179135930	/nfs/dbraw/zinc/13/59/30/179135930.db2.gz	FMZTVQFVMXMEKO-QZTJIDSGSA-N	1	0	352.438	1.750	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1	ZINC000268241338	180033446	/nfs/dbraw/zinc/03/34/46/180033446.db2.gz	NKBRYRFGKWPLKE-GOSISDBHSA-N	1	0	370.501	1.763	20	30		FDEDRO
COCCOC[C@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000528388961	539755384	/nfs/dbraw/zinc/75/53/84/539755384.db2.gz	KAVIYWSRIRWYLR-INIZCTEOSA-N	1	0	356.422	1.271	20	30		FDEDRO
CC1(C)C(=O)N[C@H]1C1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1	ZINC000528514030	539765562	/nfs/dbraw/zinc/76/55/62/539765562.db2.gz	IXNYYPMCOJYUSZ-AEFFLSMTSA-N	1	0	357.454	1.535	20	30		FDEDRO
CC[C@H](C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[NH+](C)C	ZINC000268750224	180152611	/nfs/dbraw/zinc/15/26/11/180152611.db2.gz	UUDXFEJTLKYZQZ-CQSZACIVSA-N	1	0	357.414	1.795	20	30		FDEDRO
N#Cc1ccc(CC(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cn1	ZINC000529003064	539798632	/nfs/dbraw/zinc/79/86/32/539798632.db2.gz	XAODJPXWXKNLLY-FQEVSTJZSA-N	1	0	364.449	1.769	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1	ZINC000529331453	539820931	/nfs/dbraw/zinc/82/09/31/539820931.db2.gz	RVIHTEQXWJMRMN-KSZLIROESA-N	1	0	351.491	1.768	20	30		FDEDRO
CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2C#N)[C@@H]1n1cccn1	ZINC000530233356	539916167	/nfs/dbraw/zinc/91/61/67/539916167.db2.gz	ICUIVDHSAKOZLF-DKKFBQAASA-N	1	0	356.426	1.503	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC(=O)N(c2ccccc2)C1	ZINC000530229787	539914912	/nfs/dbraw/zinc/91/49/12/539914912.db2.gz	AEOFZHMSCHUOKR-SJLPKXTDSA-N	1	0	351.406	1.693	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)NC3CC[NH+](C4CC4)CC3)CC2)c1C#N	ZINC000530408927	539963496	/nfs/dbraw/zinc/96/34/96/539963496.db2.gz	NLPBFMFCRIVBSY-UHFFFAOYSA-N	1	0	371.489	1.059	20	30		FDEDRO
C[N@H+](CC(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1)[C@@H]1CCSC1	ZINC000121768446	781933161	/nfs/dbraw/zinc/93/31/61/781933161.db2.gz	IDFQLYDWHOILFV-MRXNPFEDSA-N	1	0	374.510	1.895	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)Cc2cccc(C#N)c2)C[C@@H]1[NH+]1CCCC1	ZINC000274822949	181171949	/nfs/dbraw/zinc/17/19/49/181171949.db2.gz	QNIKHEZVEZOCLT-DLBZAZTESA-N	1	0	365.524	1.900	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(c2cccc(C#N)n2)CC1	ZINC000546895020	542253624	/nfs/dbraw/zinc/25/36/24/542253624.db2.gz	JKODPKDSOPPCFV-RHSMWYFYSA-N	1	0	354.458	1.268	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)C[N@@H+]1C1CC1	ZINC000546896413	542254224	/nfs/dbraw/zinc/25/42/24/542254224.db2.gz	IJELUQZJCZKJFA-HOCLYGCPSA-N	1	0	354.458	1.410	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)n(CCC#N)n1	ZINC000533318556	540231485	/nfs/dbraw/zinc/23/14/85/540231485.db2.gz	QPVFZHGUQSOCCC-LIRRHRJNSA-N	1	0	374.489	1.670	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)n(CCC#N)n1	ZINC000533466515	540251274	/nfs/dbraw/zinc/25/12/74/540251274.db2.gz	NPGWFXRIXJRIED-INIZCTEOSA-N	1	0	368.441	1.463	20	30		FDEDRO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(OCCO)CC1	ZINC000533834394	540293496	/nfs/dbraw/zinc/29/34/96/540293496.db2.gz	HITBPVGLAYDCSG-WUJZJPHMSA-N	1	0	351.491	1.779	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cc(F)cc3c2OCOC3)c1C#N	ZINC000534057039	540319281	/nfs/dbraw/zinc/31/92/81/540319281.db2.gz	VSBSRZBAANKZOS-UHFFFAOYSA-N	1	0	373.388	1.620	20	30		FDEDRO
COC(=O)c1cccc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)c1C#N	ZINC000534473311	540372049	/nfs/dbraw/zinc/37/20/49/540372049.db2.gz	XQOZBJYKOHFIHJ-UHFFFAOYSA-N	1	0	365.455	1.201	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)N[C@@H]1CCCc2ccccc21	ZINC000534834641	540417686	/nfs/dbraw/zinc/41/76/86/540417686.db2.gz	XCMMHYIXQJOLNU-QGZVFWFLSA-N	1	0	366.469	1.922	20	30		FDEDRO
O=C(NCC#Cc1ccccc1)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1	ZINC000534848564	540419810	/nfs/dbraw/zinc/41/98/10/540419810.db2.gz	MXHSVLITVXEPGT-SFTDATJTSA-N	1	0	363.461	1.973	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[NH2+][C@H](CN1CCOCC1)c1ccccc1	ZINC000537041680	540677122	/nfs/dbraw/zinc/67/71/22/540677122.db2.gz	WXNSAIVVYPJZIY-LJQANCHMSA-N	1	0	369.469	1.305	20	30		FDEDRO
COc1cc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)ccc1OCCO	ZINC000537078272	540681992	/nfs/dbraw/zinc/68/19/92/540681992.db2.gz	ZBJVSPFKRIXRCU-LIRRHRJNSA-N	1	0	363.458	1.771	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[NH2+][C@H](C(=O)N1CCOCC1)C(C)C	ZINC000537157008	540693974	/nfs/dbraw/zinc/69/39/74/540693974.db2.gz	JCJPEGKHEVNQRU-SFHVURJKSA-N	1	0	361.442	1.419	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@]3(CCCOC3)C2)CC1	ZINC000538147611	540817182	/nfs/dbraw/zinc/81/71/82/540817182.db2.gz	NYOHBVOFRRBMAM-ICSRJNTNSA-N	1	0	362.518	1.571	20	30		FDEDRO
CN(CC[N@H+](C)C1CCN(C)CC1)CC(=O)NCc1cccc(C#N)c1	ZINC000539232326	540938042	/nfs/dbraw/zinc/93/80/42/540938042.db2.gz	AWBSQZGICXBAHK-UHFFFAOYSA-N	1	0	357.502	1.132	20	30		FDEDRO
C[NH+](C)C1CN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)C1	ZINC000539321367	540946541	/nfs/dbraw/zinc/94/65/41/540946541.db2.gz	FPLLDPULKFZAKR-UHFFFAOYSA-N	1	0	368.397	1.758	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H]2Cc2ccccc2)CC1	ZINC000540350022	541049253	/nfs/dbraw/zinc/04/92/53/541049253.db2.gz	HGDGWZJIUWMESD-UXHICEINSA-N	1	0	354.498	1.996	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H]2Cc2ccccc2)CC1	ZINC000540350023	541049430	/nfs/dbraw/zinc/04/94/30/541049430.db2.gz	HGDGWZJIUWMESD-VQTJNVASSA-N	1	0	354.498	1.996	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OCCO)c(OC)c1	ZINC000540375917	541051870	/nfs/dbraw/zinc/05/18/70/541051870.db2.gz	MFNJMLOBQZIPIE-STQMWFEESA-N	1	0	365.430	1.117	20	30		FDEDRO
COc1cc(C#N)ccc1OCCCC(=O)NCC[N@@H+]1CCCOCC1	ZINC000275729045	181398870	/nfs/dbraw/zinc/39/88/70/181398870.db2.gz	AXYLSAJODDPTAP-UHFFFAOYSA-N	1	0	361.442	1.564	20	30		FDEDRO
COCCn1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(C)n1	ZINC000543004469	541517771	/nfs/dbraw/zinc/51/77/71/541517771.db2.gz	SPCLXJOEJGNDJF-UHFFFAOYSA-N	1	0	369.469	1.914	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1	ZINC000543218128	541552798	/nfs/dbraw/zinc/55/27/98/541552798.db2.gz	NQKFOPIKLRWMNX-HIFRSBDPSA-N	1	0	374.441	1.121	20	30		FDEDRO
C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(c2cccc(C#N)n2)CC1	ZINC000544852014	541843178	/nfs/dbraw/zinc/84/31/78/541843178.db2.gz	AAGOITDPHMTOHH-MRXNPFEDSA-N	1	0	356.474	1.659	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)CC2)n1	ZINC000544854404	541843539	/nfs/dbraw/zinc/84/35/39/541843539.db2.gz	LOHGNBHJHOBSRO-OAHLLOKOSA-N	1	0	354.458	1.269	20	30		FDEDRO
N#Cc1ccnc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c1	ZINC000283329721	182159258	/nfs/dbraw/zinc/15/92/58/182159258.db2.gz	HDLOFPSNIBEALD-SFHVURJKSA-N	1	0	350.422	1.840	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(C#N)cc1	ZINC000283518483	182204959	/nfs/dbraw/zinc/20/49/59/182204959.db2.gz	CGUOHUFEVKZXLQ-BMGDILEWSA-N	1	0	354.454	1.678	20	30		FDEDRO
C[C@H]1CCC[C@](CNC(=O)C(=O)NCc2cccc(C#N)c2)([NH+](C)C)C1	ZINC000283535594	182208789	/nfs/dbraw/zinc/20/87/89/182208789.db2.gz	DNDDEEHIXZACDJ-YWZLYKJASA-N	1	0	356.470	1.801	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)CN1CC(n2cc(C(=O)OC)nn2)C1	ZINC000545343983	541942581	/nfs/dbraw/zinc/94/25/81/541942581.db2.gz	JMMSQUGZUCRAAG-INIZCTEOSA-N	1	0	372.425	1.090	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(c2cccc(C#N)n2)CC1)[NH+]1CCC(C)CC1	ZINC000545479184	541981393	/nfs/dbraw/zinc/98/13/93/541981393.db2.gz	QPEDIKWZKNUGPG-QGZVFWFLSA-N	1	0	370.501	1.905	20	30		FDEDRO
CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCN(c2cccc(C#N)n2)CC1	ZINC000545546581	541997026	/nfs/dbraw/zinc/99/70/26/541997026.db2.gz	PPMXNWJZXNQSNX-IBGZPJMESA-N	1	0	371.485	1.395	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1	ZINC000546002882	542071940	/nfs/dbraw/zinc/07/19/40/542071940.db2.gz	SDVUQCOKGIFZAT-HNNXBMFYSA-N	1	0	356.426	1.592	20	30		FDEDRO
CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)c1cc(C#N)c[nH]1	ZINC000286336925	183042801	/nfs/dbraw/zinc/04/28/01/183042801.db2.gz	GGQBBRZGYAXSSS-UHFFFAOYSA-N	1	0	351.454	1.776	20	30		FDEDRO
C[C@H]1C[NH+](CC2CCN(S(=O)(=O)c3ccc(C#N)o3)CC2)C[C@H](C)O1	ZINC000286475231	183075813	/nfs/dbraw/zinc/07/58/13/183075813.db2.gz	AEEWNDJTERDWNE-KBPBESRZSA-N	1	0	367.471	1.661	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1	ZINC000546612602	542182189	/nfs/dbraw/zinc/18/21/89/542182189.db2.gz	RJVPGWGVXKECQL-HIFRSBDPSA-N	1	0	353.430	2.052	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C	ZINC000546612704	542182631	/nfs/dbraw/zinc/18/26/31/542182631.db2.gz	QKXFDMWBOHQNOB-GDBMZVCRSA-N	1	0	365.441	2.148	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)n1	ZINC000286948144	183179027	/nfs/dbraw/zinc/17/90/27/183179027.db2.gz	CTSDFWDMVYQAQD-ZDUSSCGKSA-N	1	0	359.459	1.348	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NCC[N@H+](C)C1CCCCC1	ZINC000546708527	542206316	/nfs/dbraw/zinc/20/63/16/542206316.db2.gz	FPSUKQGZTJCCRC-UHFFFAOYSA-N	1	0	358.442	1.886	20	30		FDEDRO
CCc1ccc([C@H](CNC(=O)NCCn2cnc(C#N)n2)[NH+](C)C)cc1	ZINC000287245503	183244744	/nfs/dbraw/zinc/24/47/44/183244744.db2.gz	SZXFIRAIFKXUTA-INIZCTEOSA-N	1	0	355.446	1.314	20	30		FDEDRO
C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000287493713	183306411	/nfs/dbraw/zinc/30/64/11/183306411.db2.gz	HDXYUHIZUASHRO-UHFFFAOYSA-N	1	0	353.220	1.327	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000297852813	184342453	/nfs/dbraw/zinc/34/24/53/184342453.db2.gz	MNDGWPHOIFWTNJ-SFHVURJKSA-N	1	0	354.454	1.461	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1	ZINC000297967036	184365366	/nfs/dbraw/zinc/36/53/66/184365366.db2.gz	SYACKGWDFKAQEW-MSOLQXFVSA-N	1	0	354.454	1.459	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1	ZINC000298054095	184382408	/nfs/dbraw/zinc/38/24/08/184382408.db2.gz	KFEBQZWJRSXPAV-UHFFFAOYSA-N	1	0	368.481	1.994	20	30		FDEDRO
CC[C@@H](CNC(=O)[C@H](C)n1cnc(C#N)n1)[N@@H+]1CCc2ccccc2C1	ZINC000547380331	542325241	/nfs/dbraw/zinc/32/52/41/542325241.db2.gz	RINVKZHKBFGKCQ-YOEHRIQHSA-N	1	0	352.442	1.664	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1CC	ZINC000172310543	258273614	/nfs/dbraw/zinc/27/36/14/258273614.db2.gz	JPOSWXWEZIDQIL-OAHLLOKOSA-N	1	0	358.442	1.886	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C	ZINC000548766350	542774468	/nfs/dbraw/zinc/77/44/68/542774468.db2.gz	PSAMDBNKRWRCOD-WFASDCNBSA-N	1	0	358.895	1.869	20	30		FDEDRO
C=CCn1c([C@H]2CCOC2)nnc1N1CCC(C[NH+]2CCOCC2)CC1	ZINC000548954422	542813428	/nfs/dbraw/zinc/81/34/28/542813428.db2.gz	XUGPCFGIBDSBQX-KRWDZBQOSA-N	1	0	361.490	1.517	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)NCC#Cc3cccc(F)c3)C2)CC1	ZINC000549201714	542850885	/nfs/dbraw/zinc/85/08/85/542850885.db2.gz	BPZJNNOGGFUDAR-LJQANCHMSA-N	1	0	358.461	1.599	20	30		FDEDRO
CC(=O)NCC[N@@H+](CCC(=O)N(C)CCC#N)Cc1ccc(C)s1	ZINC000549150146	542844566	/nfs/dbraw/zinc/84/45/66/542844566.db2.gz	ACNUMEPDICBWSJ-UHFFFAOYSA-N	1	0	350.488	1.757	20	30		FDEDRO
COc1cccc([C@@H](CNC(=O)C(=O)N2CCC(C#N)CC2)[NH+](C)C)c1	ZINC000549988019	542983077	/nfs/dbraw/zinc/98/30/77/542983077.db2.gz	NQRWQCYMQNNUIB-QGZVFWFLSA-N	1	0	358.442	1.176	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c1	ZINC000173289237	258295289	/nfs/dbraw/zinc/29/52/89/258295289.db2.gz	ZVZYHYMXOQNUBA-UHFFFAOYSA-N	1	0	370.453	1.600	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1	ZINC000550929725	543201029	/nfs/dbraw/zinc/20/10/29/543201029.db2.gz	YBRNKNHACZCMJI-UHFFFAOYSA-N	1	0	359.470	1.560	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1C[C@@H](C)O[C@@H](C)C1)C(C)C	ZINC000551213264	543252943	/nfs/dbraw/zinc/25/29/43/543252943.db2.gz	MEBUOCBTMVEZEW-BBWFWOEESA-N	1	0	351.491	1.437	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCOC[C@@H]1CC)C(C)C	ZINC000551216762	543253706	/nfs/dbraw/zinc/25/37/06/543253706.db2.gz	CPLYHTMPHQMCAA-DLBZAZTESA-N	1	0	351.491	1.439	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1C(C)(C)O)C(C)C	ZINC000551222513	543254701	/nfs/dbraw/zinc/25/47/01/543254701.db2.gz	QGYPNGGJQOPTMU-DLBZAZTESA-N	1	0	365.518	1.563	20	30		FDEDRO
C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C[C@@H](C)C1	ZINC000551693556	543323218	/nfs/dbraw/zinc/32/32/18/543323218.db2.gz	YZTFTIJVWFVLFY-DCGLDWPTSA-N	1	0	358.417	1.825	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000552188977	543434551	/nfs/dbraw/zinc/43/45/51/543434551.db2.gz	WUPOUKWSYOURCZ-QGZVFWFLSA-N	1	0	354.454	1.650	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)Nc1c(C#N)cnc2c(F)c(F)c(F)cc21	ZINC000553074456	543563050	/nfs/dbraw/zinc/56/30/50/543563050.db2.gz	IXWYCDAKGFFEQU-NSHDSACASA-N	1	0	363.387	1.993	20	30		FDEDRO
CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1	ZINC000553096718	543568869	/nfs/dbraw/zinc/56/88/69/543568869.db2.gz	AGVXFIIENHFMDB-MRXNPFEDSA-N	1	0	371.485	1.312	20	30		FDEDRO
CCC(=O)N1CSC[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000076132579	172101766	/nfs/dbraw/zinc/10/17/66/172101766.db2.gz	DWEBXQDAIKBKPK-KRWDZBQOSA-N	1	0	374.510	1.760	20	30		FDEDRO
CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000077616413	172129897	/nfs/dbraw/zinc/12/98/97/172129897.db2.gz	DKIXSAODJBMTHO-HNNXBMFYSA-N	1	0	350.488	1.110	20	30		FDEDRO
C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000085402085	172218614	/nfs/dbraw/zinc/21/86/14/172218614.db2.gz	VXNPCNOGBIXZEV-QAPCUYQASA-N	1	0	370.501	1.904	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2cnc3ccc(C#N)cn23)CC1	ZINC000093147231	172312722	/nfs/dbraw/zinc/31/27/22/172312722.db2.gz	KNVFTOBIBIRRLP-SFHVURJKSA-N	1	0	352.486	1.808	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000104067716	172374079	/nfs/dbraw/zinc/37/40/79/172374079.db2.gz	MVWTVUOIJLUEMO-KBXCAEBGSA-N	1	0	369.469	1.299	20	30		FDEDRO
C[N@H+](CCNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C1CCCC1	ZINC000104574280	172381138	/nfs/dbraw/zinc/38/11/38/172381138.db2.gz	FYGNXOKRTXJCDI-UHFFFAOYSA-N	1	0	363.483	1.464	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(CC(=O)Nc2sccc2C#N)CC1	ZINC000109755868	172510962	/nfs/dbraw/zinc/51/09/62/172510962.db2.gz	REQKDUQWEYJIMD-INIZCTEOSA-N	1	0	361.515	1.660	20	30		FDEDRO
CCS(=O)(=O)N(C)C1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1	ZINC000127036166	173063120	/nfs/dbraw/zinc/06/31/20/173063120.db2.gz	LGWKBZUBSHWQOO-QGZVFWFLSA-N	1	0	351.472	1.338	20	30		FDEDRO
COCC[NH+]1[C@H](C)CN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C	ZINC000130492943	173172144	/nfs/dbraw/zinc/17/21/44/173172144.db2.gz	GFORGUDGCILAQD-GPMSIDNRSA-N	1	0	356.470	1.705	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)[nH]1	ZINC000132905660	173247211	/nfs/dbraw/zinc/24/72/11/173247211.db2.gz	HAWITJUAQSYKAX-UHFFFAOYSA-N	1	0	357.458	1.341	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNS(=O)(=O)c2ccccc2C#N)ccn1	ZINC000135081180	173338593	/nfs/dbraw/zinc/33/85/93/173338593.db2.gz	FIWVZVRYCJZHNV-UHFFFAOYSA-N	1	0	360.439	1.372	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNS(=O)(=O)c2ccc(C#N)cc2)ccn1	ZINC000135081153	173338653	/nfs/dbraw/zinc/33/86/53/173338653.db2.gz	JGXFVJDJRKBOHT-UHFFFAOYSA-N	1	0	360.439	1.372	20	30		FDEDRO
Cc1cc(O)cc(=O)n1CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000176194414	174056892	/nfs/dbraw/zinc/05/68/92/174056892.db2.gz	IADGWQWLPDGADY-UHFFFAOYSA-N	1	0	368.437	1.324	20	30		FDEDRO
CC[C@@H](O)C[NH+]1CCN(CC(=O)Nc2sc(C)c(C)c2C#N)CC1	ZINC000177194623	174113149	/nfs/dbraw/zinc/11/31/49/174113149.db2.gz	FPTPBSFZZGIQBM-CQSZACIVSA-N	1	0	350.488	1.564	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C[N@@H+]1C1CC1	ZINC000177202790	174113576	/nfs/dbraw/zinc/11/35/76/174113576.db2.gz	ZGXVKECRWQEDGA-DOMZBBRYSA-N	1	0	350.426	1.681	20	30		FDEDRO
CN(CCN(C)S(=O)(=O)c1ccc(F)cc1C#N)C1CC[NH+](C)CC1	ZINC000181070388	174204694	/nfs/dbraw/zinc/20/46/94/174204694.db2.gz	DYRQYRSSUDSLIE-UHFFFAOYSA-N	1	0	368.478	1.344	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000178496530	258329308	/nfs/dbraw/zinc/32/93/08/258329308.db2.gz	NWQAXCLQOSTCPA-HNNXBMFYSA-N	1	0	370.453	1.422	20	30		FDEDRO
CC(C)(O)C[NH+]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000182742329	258378740	/nfs/dbraw/zinc/37/87/40/258378740.db2.gz	RPOPTMUAFLTPHY-GOSISDBHSA-N	1	0	356.470	1.442	20	30		FDEDRO
C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1CCC[N@H+]1CCOC	ZINC000553276676	543601391	/nfs/dbraw/zinc/60/13/91/543601391.db2.gz	KUTGLTTYHXZWLS-IBGZPJMESA-N	1	0	373.497	1.818	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCO[C@H](C(CC)CC)C2)CC1	ZINC000553330304	543610480	/nfs/dbraw/zinc/61/04/80/543610480.db2.gz	DXPSEYMVIIAIAE-ROUUACIJSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCO[C@H](CC(C)C)C2)CC1	ZINC000553330105	543610825	/nfs/dbraw/zinc/61/08/25/543610825.db2.gz	XNJNJHLRESMDTK-IAGOWNOFSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)CCc2cccn2C)CC1	ZINC000553394971	543625878	/nfs/dbraw/zinc/62/58/78/543625878.db2.gz	AVSIVSNEDLBZQY-INIZCTEOSA-N	1	0	360.502	1.619	20	30		FDEDRO
CN1C(=O)C[C@H]([NH2+]CC(=O)NC2(C#N)CCC2)[C@@H]1c1ccc(Cl)cc1	ZINC000553911591	543716561	/nfs/dbraw/zinc/71/65/61/543716561.db2.gz	BAMOGMLXTNMWCU-YOEHRIQHSA-N	1	0	360.845	1.764	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCCCC[NH+]1CCCCC1	ZINC000554279582	543774423	/nfs/dbraw/zinc/77/44/23/543774423.db2.gz	NVROCGLGDZGUGT-ZWKOTPCHSA-N	1	0	365.518	1.856	20	30		FDEDRO
CC(=O)N1CCN(CC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1	ZINC000554969350	543898354	/nfs/dbraw/zinc/89/83/54/543898354.db2.gz	KQBZDNYHFHZHHE-UHFFFAOYSA-N	1	0	354.376	1.831	20	30		FDEDRO
N#CCCN(C(=O)C[NH2+][C@@H](C1CC1)[C@]1(CO)CCCO1)c1ccccc1	ZINC000555761966	544024250	/nfs/dbraw/zinc/02/42/50/544024250.db2.gz	RTUSOFVGLJFUQP-VQTJNVASSA-N	1	0	357.454	1.843	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1	ZINC000555644294	543995012	/nfs/dbraw/zinc/99/50/12/543995012.db2.gz	CJEJVQUEXRFFAF-HOTGVXAUSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000556363446	544136677	/nfs/dbraw/zinc/13/66/77/544136677.db2.gz	WJLJHEIIQXIQHT-RTBURBONSA-N	1	0	371.481	1.953	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C)C[C@H]2CC)cc1	ZINC000556684398	544174973	/nfs/dbraw/zinc/17/49/73/544174973.db2.gz	OPNKFBHCTNZKOH-MRXNPFEDSA-N	1	0	373.457	1.485	20	30		FDEDRO
N#Cc1ccc(C(=O)CNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1	ZINC000557102950	544245241	/nfs/dbraw/zinc/24/52/41/544245241.db2.gz	KMDKRULBTHXIBU-OAQYLSRUSA-N	1	0	363.417	1.494	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2c(F)cccc2C#N)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000556956161	544224970	/nfs/dbraw/zinc/22/49/70/544224970.db2.gz	TYFAARYMAMRCOE-BEFAXECRSA-N	1	0	358.461	1.724	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCc2ccc(CN3CCOCC3)cc2)o1	ZINC000557791353	544347509	/nfs/dbraw/zinc/34/75/09/544347509.db2.gz	QIJOKRIBOLMHFY-UHFFFAOYSA-N	1	0	361.423	1.462	20	30		FDEDRO
CC[NH+](CC)CCCC1CCN(C(=O)NCCn2cnc(C#N)n2)CC1	ZINC000558161350	544392351	/nfs/dbraw/zinc/39/23/51/544392351.db2.gz	PWVBGAPQGDQFLM-UHFFFAOYSA-N	1	0	361.494	1.693	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1	ZINC000558480607	544444975	/nfs/dbraw/zinc/44/49/75/544444975.db2.gz	LOVPOFCOWRKJOU-SFHVURJKSA-N	1	0	364.515	1.969	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1	ZINC000558877740	544546898	/nfs/dbraw/zinc/54/68/98/544546898.db2.gz	TTWKZXLYBNUCJV-UHFFFAOYSA-N	1	0	356.426	1.638	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)CN2CCN(c3cnccc3C#N)CC2)CC1	ZINC000559259584	544616591	/nfs/dbraw/zinc/61/65/91/544616591.db2.gz	LHJNUTWRSCTMBV-UHFFFAOYSA-N	1	0	370.501	1.064	20	30		FDEDRO
CC(C)CC[NH+]1CCC(CNS(=O)(=O)c2cncc(C#N)c2)CC1	ZINC000289443779	258822299	/nfs/dbraw/zinc/82/22/99/258822299.db2.gz	KKRAKTUPWCTYQI-UHFFFAOYSA-N	1	0	350.488	1.990	20	30		FDEDRO
COCCCNC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000299605136	259010142	/nfs/dbraw/zinc/01/01/42/259010142.db2.gz	GQLIBSZMPOTCSM-OAHLLOKOSA-N	1	0	372.469	1.750	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@@H]3[C@@H]3COCC[C@@H]3O)C2=O)cc1	ZINC000328774669	259057695	/nfs/dbraw/zinc/05/76/95/259057695.db2.gz	HRNHHSFXGVAHPT-RDGPPVDQSA-N	1	0	355.438	1.525	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)CC2)c(F)c1	ZINC000329172554	259082156	/nfs/dbraw/zinc/08/21/56/259082156.db2.gz	AHJNJUBJBJUQIE-SFHVURJKSA-N	1	0	372.444	1.457	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C#N	ZINC000331128392	259177454	/nfs/dbraw/zinc/17/74/54/259177454.db2.gz	IGMIDGZOTUVZPG-MJBXVCDLSA-N	1	0	350.488	1.906	20	30		FDEDRO
CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)s1	ZINC000332192912	259248590	/nfs/dbraw/zinc/24/85/90/259248590.db2.gz	UQYQUSWPUHNFBC-WCQYABFASA-N	1	0	360.483	1.924	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000332236304	259251554	/nfs/dbraw/zinc/25/15/54/259251554.db2.gz	GTFICIMKTXHRSE-JSGCOSHPSA-N	1	0	350.400	1.372	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1	ZINC000332449729	259267816	/nfs/dbraw/zinc/26/78/16/259267816.db2.gz	DYZJOPUTMPWTKW-KRWDZBQOSA-N	1	0	355.442	1.637	20	30		FDEDRO
Cc1cc(NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c(C#N)cc1N(C)C	ZINC000332606485	259281738	/nfs/dbraw/zinc/28/17/38/259281738.db2.gz	JMLBMAPVIYLMQO-OAHLLOKOSA-N	1	0	372.517	1.938	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1	ZINC000333559491	259359081	/nfs/dbraw/zinc/35/90/81/259359081.db2.gz	WCTFNVQDFKWDIC-WBVHZDCISA-N	1	0	370.453	1.138	20	30		FDEDRO
C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000333665512	259368208	/nfs/dbraw/zinc/36/82/08/259368208.db2.gz	XNTZLMPVVKBTIU-JJRVBVJISA-N	1	0	355.442	1.051	20	30		FDEDRO
N#Cc1cc(N2CCC[C@H](N3CCNCC3=O)C2)ccc1C(F)(F)F	ZINC000333924442	259394305	/nfs/dbraw/zinc/39/43/05/259394305.db2.gz	SXWAPESLNLUGHH-AWEZNQCLSA-N	1	0	352.360	1.978	20	30		FDEDRO
COc1cc(C#N)ccc1OCCN1CCC[C@@H]1C[N@@H+]1CCC[C@H]1CO	ZINC000364056665	259709448	/nfs/dbraw/zinc/70/94/48/259709448.db2.gz	PJYACEHMGSHXKM-MSOLQXFVSA-N	1	0	359.470	1.867	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)n1	ZINC000367551653	260059937	/nfs/dbraw/zinc/05/99/37/260059937.db2.gz	LPFJQMJSXVPDLQ-IAGOWNOFSA-N	1	0	365.441	1.066	20	30		FDEDRO
CS(=O)(=O)N1CC[C@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1	ZINC000367620694	260069333	/nfs/dbraw/zinc/06/93/33/260069333.db2.gz	QUKHVFMACWKOBT-MRXNPFEDSA-N	1	0	362.499	1.398	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)s2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000368541205	260198993	/nfs/dbraw/zinc/19/89/93/260198993.db2.gz	XLIKQTYCUSZFMM-DZGCQCFKSA-N	1	0	368.528	1.266	20	30		FDEDRO
CN1CC[C@@H](NC(=O)NCCn2cnc(C#N)n2)[C@H]1c1ccc(Cl)cc1	ZINC000368626768	260211675	/nfs/dbraw/zinc/21/16/75/260211675.db2.gz	VLRSKMLBWURCDV-GDBMZVCRSA-N	1	0	373.848	1.548	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CC[N@@H+]1CCCN(C(=O)[C@H]2CCCO2)CC1	ZINC000368910346	260259169	/nfs/dbraw/zinc/25/91/69/260259169.db2.gz	LNXNMXGVVMNGEG-GOSISDBHSA-N	1	0	370.453	1.600	20	30		FDEDRO
CCCN1CC[NH+](C2CCN(CC(=O)Nc3ccc(C#N)cc3)CC2)CC1	ZINC000369153103	260304182	/nfs/dbraw/zinc/30/41/82/260304182.db2.gz	BNYVACPHANDVKW-UHFFFAOYSA-N	1	0	369.513	1.989	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000372936174	260954444	/nfs/dbraw/zinc/95/44/44/260954444.db2.gz	WIVHXVXUSFIIPD-HZPDHXFCSA-N	1	0	359.426	1.003	20	30		FDEDRO
C[C@@H]1CCCC[C@H]1OCCNC(=O)CN1CCC(n2cnc(C#N)n2)CC1	ZINC000373405012	261008228	/nfs/dbraw/zinc/00/82/28/261008228.db2.gz	NLUCNHVSUDLFQN-NVXWUHKLSA-N	1	0	374.489	1.498	20	30		FDEDRO
CC1(C)CC(NC(=O)N2CCC(n3cnc(C#N)n3)CC2)CC(C)(C)[NH2+]1	ZINC000373453379	261012460	/nfs/dbraw/zinc/01/24/60/261012460.db2.gz	KSIVVMUVPQGLBW-UHFFFAOYSA-N	1	0	359.478	1.805	20	30		FDEDRO
C[C@@H]1C[C@]2(CCO1)C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C[C@H](C)O2	ZINC000374027056	261067723	/nfs/dbraw/zinc/06/77/23/261067723.db2.gz	LMFGBKGAFDHHNL-NDUPCHFUSA-N	1	0	360.454	1.956	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCc2cccc(C#N)c2)CC1=O	ZINC000374057616	261072093	/nfs/dbraw/zinc/07/20/93/261072093.db2.gz	KLCKJTJFRDTRAD-OALUTQOASA-N	1	0	368.481	1.550	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)C(=O)Nc1cccc(C#N)c1	ZINC000374219200	261096089	/nfs/dbraw/zinc/09/60/89/261096089.db2.gz	HVPIYXNNPWQARV-RHSMWYFYSA-N	1	0	350.426	1.934	20	30		FDEDRO
C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000375637459	261387778	/nfs/dbraw/zinc/38/77/78/261387778.db2.gz	UOQHIDMFWOMNBR-CHWSQXEVSA-N	1	0	364.427	1.714	20	30		FDEDRO
N#Cc1ccc(C2=CCN(CC(=O)N3CCC[C@@H](C(N)=O)C3)CC2)cc1	ZINC000378357449	262011039	/nfs/dbraw/zinc/01/10/39/262011039.db2.gz	RSHJZKWXSFSRAT-GOSISDBHSA-N	1	0	352.438	1.371	20	30		FDEDRO
C[C@H](C(=O)NCc1ccc(OCCC[NH+](C)C)cc1)n1cnc(C#N)n1	ZINC000409657532	262131413	/nfs/dbraw/zinc/13/14/13/262131413.db2.gz	CFHWBRZHYXKVEB-CQSZACIVSA-N	1	0	356.430	1.358	20	30		FDEDRO
COCC[N@H+](C)CC[C@H](NC(=O)[C@H](C)n1cnc(C#N)n1)c1ccccc1	ZINC000409661828	262131654	/nfs/dbraw/zinc/13/16/54/262131654.db2.gz	DVSVWVLEJQNUCG-RDJZCZTQSA-N	1	0	370.457	1.537	20	30		FDEDRO
N#Cc1ccc(CN2CCC[N@@H+](CC3CCS(=O)(=O)CC3)CC2)cc1	ZINC000270510549	674220263	/nfs/dbraw/zinc/22/02/63/674220263.db2.gz	RLBKTAJWVSDRDH-UHFFFAOYSA-N	1	0	361.511	1.891	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cnsn2)C[C@H]1c1ccccc1	ZINC001211540261	782048372	/nfs/dbraw/zinc/04/83/72/782048372.db2.gz	LPPFGLMCVZQWPO-DOTOQJQBSA-N	1	0	356.451	1.386	20	30		FDEDRO
N#Cc1ccc(NCC(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)nc1	ZINC000501971104	490662285	/nfs/dbraw/zinc/66/22/85/490662285.db2.gz	HTPIXVPSCJVZQK-KRWDZBQOSA-N	1	0	357.458	1.469	20	30		FDEDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1	ZINC000543891867	490950681	/nfs/dbraw/zinc/95/06/81/490950681.db2.gz	AYUMCUPRFZBINH-AWEZNQCLSA-N	1	0	371.420	1.250	20	30		FDEDRO
N#Cc1cc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)nc(C2CC2)n1	ZINC000603422974	492031831	/nfs/dbraw/zinc/03/18/31/492031831.db2.gz	LCYNXBLVHFBFBP-INIZCTEOSA-N	1	0	356.474	1.434	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(CC(=O)OC)c2)c1C#N	ZINC000614677956	492047333	/nfs/dbraw/zinc/04/73/33/492047333.db2.gz	LVXVWUFIQRSGRJ-UHFFFAOYSA-N	1	0	355.398	1.401	20	30		FDEDRO
C[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)C1CC[NH+](C)CC1	ZINC000615189643	492077394	/nfs/dbraw/zinc/07/73/94/492077394.db2.gz	MOGVDKCVDSFCGO-LBPRGKRZSA-N	1	0	360.462	1.295	20	30		FDEDRO
CCCCNC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000029928134	519334083	/nfs/dbraw/zinc/33/40/83/519334083.db2.gz	KWTKXBHTVFZKSL-GOSISDBHSA-N	1	0	359.470	1.926	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)c1	ZINC000042587645	519696993	/nfs/dbraw/zinc/69/69/93/519696993.db2.gz	ULZRZWSKYNOAGD-MRXNPFEDSA-N	1	0	367.515	1.857	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(N)=O)cc1	ZINC000056016001	521763518	/nfs/dbraw/zinc/76/35/18/521763518.db2.gz	QTCYAHRSODKQSN-UHFFFAOYSA-N	1	0	350.422	1.861	20	30		FDEDRO
C[C@H]1C[NH+](CCCNC(=O)NCc2ccc(OCC#N)cc2)C[C@H](C)O1	ZINC000069316892	521856482	/nfs/dbraw/zinc/85/64/82/521856482.db2.gz	FMCKPTGBIXLUQA-HOTGVXAUSA-N	1	0	360.458	1.887	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C1=NN(Cc2ccccc2)C(=O)CC1	ZINC000069576385	521919278	/nfs/dbraw/zinc/91/92/78/521919278.db2.gz	ZRTOZEMUTAOISQ-UHFFFAOYSA-N	1	0	369.469	1.859	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2cccnc2OCC(F)(F)F)CC1	ZINC000057169284	522022362	/nfs/dbraw/zinc/02/23/62/522022362.db2.gz	JSAJGRITBUYKEB-UHFFFAOYSA-N	1	0	355.360	1.984	20	30		FDEDRO
C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCc2cccc(C#N)c2)cc1	ZINC000070955421	522063631	/nfs/dbraw/zinc/06/36/31/522063631.db2.gz	AZSAHZSYCORNOW-UHFFFAOYSA-N	1	0	366.421	1.754	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)NCc3ccc(C#N)cc3)cn2)CC1	ZINC000057725718	522145130	/nfs/dbraw/zinc/14/51/30/522145130.db2.gz	HIRLTXHGGDVXMV-UHFFFAOYSA-N	1	0	364.453	1.704	20	30		FDEDRO
C[C@H]1CCC[C@H](NC(=O)CN2CC[NH+](CCCSCC#N)CC2)C1	ZINC000072517899	522313883	/nfs/dbraw/zinc/31/38/83/522313883.db2.gz	ZYKLIPAIQIEILV-IRXDYDNUSA-N	1	0	352.548	1.946	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[NH+](CC3CC3)CC2)c1	ZINC000058982560	522326536	/nfs/dbraw/zinc/32/65/36/522326536.db2.gz	UAQLWIZOEQTBIY-UHFFFAOYSA-N	1	0	363.483	1.319	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNC(=O)CCc2c(C)nn(CCC#N)c2C)CC1	ZINC000046946202	522395616	/nfs/dbraw/zinc/39/56/16/522395616.db2.gz	ASHQLJUPJJNBFO-INIZCTEOSA-N	1	0	374.533	1.488	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)c1ccc(C#N)cc1	ZINC000073249488	522497614	/nfs/dbraw/zinc/49/76/14/522497614.db2.gz	DLIDAUITAOBRQP-CYBMUJFWSA-N	1	0	360.377	1.955	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1	ZINC000047423301	522518297	/nfs/dbraw/zinc/51/82/97/522518297.db2.gz	LUDCPCPHCGWTEV-MRXNPFEDSA-N	1	0	357.454	1.896	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(CC(=O)NC[C@@H]3CCCO3)CC2)cc1	ZINC000073394691	522521168	/nfs/dbraw/zinc/52/11/68/522521168.db2.gz	QPYHKCFVKXWHBH-IBGZPJMESA-N	1	0	356.470	1.361	20	30		FDEDRO
C[NH+]=C(NCCc1c[nH]c2ccccc12)N1CCN(c2ncccn2)CC1	ZINC000073446332	522527868	/nfs/dbraw/zinc/52/78/68/522527868.db2.gz	JDHVEVJICHJHGA-UHFFFAOYSA-N	1	0	363.469	1.898	20	30		FDEDRO
C[NH+]=C(NCCc1cn2ccccc2n1)N1CCN(c2ncccn2)CC1	ZINC000073447292	522529507	/nfs/dbraw/zinc/52/95/07/522529507.db2.gz	OQLUGILJAMNUMD-UHFFFAOYSA-N	1	0	364.457	1.064	20	30		FDEDRO
C[NH+]=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncccn2)CC1	ZINC000073447715	522531045	/nfs/dbraw/zinc/53/10/45/522531045.db2.gz	OGKVRIQHFTWSKI-UHFFFAOYSA-N	1	0	354.414	1.103	20	30		FDEDRO
C[NH+]1CCN(c2ccc(NC(=O)COc3ccc(C#N)cc3)nc2)CC1	ZINC000047553460	522559157	/nfs/dbraw/zinc/55/91/57/522559157.db2.gz	FZVYXEACXRFJAJ-UHFFFAOYSA-N	1	0	351.410	1.723	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1	ZINC000063490120	522599180	/nfs/dbraw/zinc/59/91/80/522599180.db2.gz	DVSAMTPDSGJUHE-MRXNPFEDSA-N	1	0	368.485	1.997	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(N[C@@H]2CCOc3ccccc32)=[NH+]C2CC2)C1	ZINC000073806913	522611192	/nfs/dbraw/zinc/61/11/92/522611192.db2.gz	DVFBOZRVWDRFLU-CZUORRHYSA-N	1	0	363.483	1.643	20	30		FDEDRO
C=CCNC(N[C@@H]1CCOc2ccccc21)=[NH+]C[C@H]1CCS(=O)(=O)C1	ZINC000073807130	522611268	/nfs/dbraw/zinc/61/12/68/522611268.db2.gz	SKQJICXHCMOISE-GDBMZVCRSA-N	1	0	363.483	1.666	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC([NH+](C)C)CC2)cc1	ZINC000073842825	522618399	/nfs/dbraw/zinc/61/83/99/522618399.db2.gz	XGUMJWRFPKGXRK-UHFFFAOYSA-N	1	0	351.472	1.317	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1	ZINC000048047289	522659655	/nfs/dbraw/zinc/65/96/55/522659655.db2.gz	TUMKZBYNXQSVCV-LSDHHAIUSA-N	1	0	364.490	1.357	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CCN1C(=O)c2ccccc2C1=O	ZINC000064361817	522706758	/nfs/dbraw/zinc/70/67/58/522706758.db2.gz	BBKIUFPZQFANCQ-UHFFFAOYSA-N	1	0	356.426	1.367	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)Cc1ccccc1	ZINC000048833949	522788253	/nfs/dbraw/zinc/78/82/53/522788253.db2.gz	YOYIYGYHXPWLSL-GOSISDBHSA-N	1	0	350.422	1.786	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1	ZINC000050173831	522899598	/nfs/dbraw/zinc/89/95/98/522899598.db2.gz	XJEWCKDYCHPPDB-UHFFFAOYSA-N	1	0	366.421	1.754	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)COc3ccccc3C#N)CC2)CC1	ZINC000050803009	522943074	/nfs/dbraw/zinc/94/30/74/522943074.db2.gz	MVCPWXXNNSTFNY-UHFFFAOYSA-N	1	0	356.470	1.612	20	30		FDEDRO
CCC[N@H+](CCNS(=O)(=O)c1cnn(C)c1)Cc1ccc(C#N)cc1	ZINC000075626834	522946629	/nfs/dbraw/zinc/94/66/29/522946629.db2.gz	ICJNPSRRMOWXIZ-UHFFFAOYSA-N	1	0	361.471	1.482	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1	ZINC000066105833	522957171	/nfs/dbraw/zinc/95/71/71/522957171.db2.gz	AWIQNSQEMYAZSP-INIZCTEOSA-N	1	0	363.483	1.461	20	30		FDEDRO
CC[C@H](C)[N@H+](C)CCNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1	ZINC000066126403	522961050	/nfs/dbraw/zinc/96/10/50/522961050.db2.gz	AXOOHFOQVLFYLI-AWEZNQCLSA-N	1	0	366.487	1.025	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1	ZINC000066222862	522988858	/nfs/dbraw/zinc/98/88/58/522988858.db2.gz	SPAQWBFZFMSPIS-HNNXBMFYSA-N	1	0	356.426	1.592	20	30		FDEDRO
C[C@H]1CCC[N@H+](CCNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000066240584	522995033	/nfs/dbraw/zinc/99/50/33/522995033.db2.gz	AGBVMQJXFBCTNX-AWEZNQCLSA-N	1	0	352.442	1.788	20	30		FDEDRO
CCN(CCC#N)C(=O)CN1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000075935769	522996407	/nfs/dbraw/zinc/99/64/07/522996407.db2.gz	VSDVICNJZQMZNB-IAGOWNOFSA-N	1	0	350.507	1.570	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCC(=O)N2CCc3ccccc32)cc1	ZINC000076105753	523022296	/nfs/dbraw/zinc/02/22/96/523022296.db2.gz	CXWDHBPUAJYQEY-UHFFFAOYSA-N	1	0	352.438	1.731	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCn1ccccc1=O	ZINC000076332564	523081646	/nfs/dbraw/zinc/08/16/46/523081646.db2.gz	FHIFZBXMMMWQDH-UHFFFAOYSA-N	1	0	352.438	1.700	20	30		FDEDRO
N#Cc1ccccc1N1CCC[N@@H+](CCn2nc3ccccn3c2=O)CC1	ZINC000051852312	523087540	/nfs/dbraw/zinc/08/75/40/523087540.db2.gz	ZQJCOLBYFPZEBH-UHFFFAOYSA-N	1	0	362.437	1.580	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1	ZINC000066534339	523098791	/nfs/dbraw/zinc/09/87/91/523098791.db2.gz	BWIHUIZUQHVPDP-LJQANCHMSA-N	1	0	371.529	1.497	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H](C)Oc2ccccc2C#N)CC1	ZINC000076485625	523123343	/nfs/dbraw/zinc/12/33/43/523123343.db2.gz	KKLBYBYFDRDCRH-IAGOWNOFSA-N	1	0	358.486	1.715	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)N(CC)CC3)CC1	ZINC000076512809	523127123	/nfs/dbraw/zinc/12/71/23/523127123.db2.gz	DOFARVRFFJTOIE-UHFFFAOYSA-N	1	0	356.470	1.774	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)CC1	ZINC000077037832	523239463	/nfs/dbraw/zinc/23/94/63/523239463.db2.gz	NJLVRHUOSLYGAG-CYBMUJFWSA-N	1	0	360.845	1.797	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)c3ccc(C)s3)CC2)CC1	ZINC000066921737	523266384	/nfs/dbraw/zinc/26/63/84/523266384.db2.gz	SPGKMSCXHURORM-UHFFFAOYSA-N	1	0	359.495	1.686	20	30		FDEDRO
CCC[N@H+](CC(=O)NC1CCN(C(C)=O)CC1)Cc1ccc(C#N)cc1	ZINC000052825707	523277190	/nfs/dbraw/zinc/27/71/90/523277190.db2.gz	ZNXLSPBXNAHPHI-UHFFFAOYSA-N	1	0	356.470	1.897	20	30		FDEDRO
C[C@H]1CCC[N@H+](CCNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000067062764	523309524	/nfs/dbraw/zinc/30/95/24/523309524.db2.gz	DKCPYSFSQVXHJC-INIZCTEOSA-N	1	0	370.501	1.953	20	30		FDEDRO
C[N@@H+](CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)CC1CC1	ZINC000053185155	523364499	/nfs/dbraw/zinc/36/44/99/523364499.db2.gz	GMGCMQTVIPVSGK-UHFFFAOYSA-N	1	0	369.425	1.797	20	30		FDEDRO
C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)C1	ZINC000053580437	523469874	/nfs/dbraw/zinc/46/98/74/523469874.db2.gz	XVVJEWLZLUZSBR-ZFWWWQNUSA-N	1	0	353.426	1.203	20	30		FDEDRO
C[NH+]=C(NCCc1cn2ccccc2n1)NCc1ccc2c(c1)OCO2	ZINC000079317390	523736945	/nfs/dbraw/zinc/73/69/45/523736945.db2.gz	XCEGHELGIVJRIX-UHFFFAOYSA-N	1	0	351.410	1.971	20	30		FDEDRO
Cc1cc(CNC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)ccc1F	ZINC000079350212	523740306	/nfs/dbraw/zinc/74/03/06/523740306.db2.gz	NPAHCIVDLUZZED-AWEZNQCLSA-N	1	0	353.463	1.766	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(CC(=O)Nc3nncs3)CC2)cc1	ZINC000055273810	523783665	/nfs/dbraw/zinc/78/36/65/523783665.db2.gz	TTWNVKLBZOOXGM-UHFFFAOYSA-N	1	0	356.455	1.556	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[NH+](CC2CC2)CC1	ZINC000055669608	523845922	/nfs/dbraw/zinc/84/59/22/523845922.db2.gz	YHEGILJMHLVERC-UHFFFAOYSA-N	1	0	366.469	1.705	20	30		FDEDRO
C[C@H](CCNc1c(C#N)c(=O)n(C)c(=O)n1C)[N@H+](C)Cc1ccccc1	ZINC000080671393	523896252	/nfs/dbraw/zinc/89/62/52/523896252.db2.gz	SWTHXIQIKOBTNM-CQSZACIVSA-N	1	0	355.442	1.278	20	30		FDEDRO
CCn1cnc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1	ZINC000080732520	523902289	/nfs/dbraw/zinc/90/22/89/523902289.db2.gz	JQQJKHDMZVGPNT-UHFFFAOYSA-N	1	0	361.471	1.527	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1	ZINC000081062023	523937394	/nfs/dbraw/zinc/93/73/94/523937394.db2.gz	UNJXMIMFLLQSBG-UHFFFAOYSA-N	1	0	365.437	1.927	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])c1	ZINC000156597811	524112044	/nfs/dbraw/zinc/11/20/44/524112044.db2.gz	NCTMWTZGHMMKEH-XJKSGUPXSA-N	1	0	351.472	1.350	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(Cc3ccc(OC)cc3)C2=O)CC1	ZINC000172261215	524184540	/nfs/dbraw/zinc/18/45/40/524184540.db2.gz	ZHTNCVJWLNKZKX-LJQANCHMSA-N	1	0	369.465	1.258	20	30		FDEDRO
C[NH+](C)CCn1nnnc1S[C@@H]1CCN(c2sccc2C#N)C1=O	ZINC000083091898	524238566	/nfs/dbraw/zinc/23/85/66/524238566.db2.gz	NNSVNOKHNAMFDX-LLVKDONJSA-N	1	0	363.472	1.065	20	30		FDEDRO
C=CC1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1	ZINC000111259009	524238695	/nfs/dbraw/zinc/23/86/95/524238695.db2.gz	IOSSLGJDBQKMNF-UONOGXRCSA-N	1	0	365.499	1.798	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)CC1	ZINC000172843717	524281530	/nfs/dbraw/zinc/28/15/30/524281530.db2.gz	FKCUEXADMXHREL-INIZCTEOSA-N	1	0	350.507	1.831	20	30		FDEDRO
C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000121555114	524291898	/nfs/dbraw/zinc/29/18/98/524291898.db2.gz	OFTVAVWCYWUGSN-AAEUAGOBSA-N	1	0	352.416	1.427	20	30		FDEDRO
C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000121554960	524292300	/nfs/dbraw/zinc/29/23/00/524292300.db2.gz	OFTVAVWCYWUGSN-YPMHNXCESA-N	1	0	352.416	1.427	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1	ZINC000173049958	524312277	/nfs/dbraw/zinc/31/22/77/524312277.db2.gz	ZUBDUVUWGQXWOD-AWEZNQCLSA-N	1	0	367.515	1.857	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N(C)CCCN2CC[NH+](C)CC2)c1C#N	ZINC000157715058	524323585	/nfs/dbraw/zinc/32/35/85/524323585.db2.gz	JUSQAFXUJPPSEV-UHFFFAOYSA-N	1	0	350.488	1.125	20	30		FDEDRO
Cn1c(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c(C#N)c(=O)n(C)c1=O	ZINC000142823583	524357577	/nfs/dbraw/zinc/35/75/77/524357577.db2.gz	YRHJBBFJMWNVDP-CYBMUJFWSA-N	1	0	373.482	1.341	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(CCOc2ccc(C#N)cc2OC)CC1	ZINC000157902055	524363169	/nfs/dbraw/zinc/36/31/69/524363169.db2.gz	RHEJKFAQYLKCGL-UHFFFAOYSA-N	1	0	374.485	1.432	20	30		FDEDRO
C[C@H]1CN(C(C)(C)CNS(=O)(=O)c2ccccc2C#N)C[C@H](C)O1	ZINC000121836077	524377982	/nfs/dbraw/zinc/37/79/82/524377982.db2.gz	QLRPHXWQBPLTJY-KBPBESRZSA-N	1	0	351.472	1.724	20	30		FDEDRO
C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)Nc2ccn(CCC#N)n2)C1	ZINC000086447066	524390986	/nfs/dbraw/zinc/39/09/86/524390986.db2.gz	OBYOHOXJQNCTIA-OAHLLOKOSA-N	1	0	360.462	1.364	20	30		FDEDRO
C=CCOc1ccc(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1OC	ZINC000121876748	524393872	/nfs/dbraw/zinc/39/38/72/524393872.db2.gz	BRHWKWMETIEEQG-INIZCTEOSA-N	1	0	361.486	1.873	20	30		FDEDRO
CCC[NH+]1CCC(N2CCN(C(=O)COc3ccc(C#N)cc3)CC2)CC1	ZINC000112324861	524458567	/nfs/dbraw/zinc/45/85/67/524458567.db2.gz	LEZCDDXDEKOBAD-UHFFFAOYSA-N	1	0	370.497	1.956	20	30		FDEDRO
C[NH+]=C(NCc1ccc(F)c(COC)c1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158599142	524497331	/nfs/dbraw/zinc/49/73/31/524497331.db2.gz	DUUCVUKVROCVIQ-UHFFFAOYSA-N	1	0	371.478	1.557	20	30		FDEDRO
CC[NH+]=C(NCc1ccccc1COC)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158613226	524499512	/nfs/dbraw/zinc/49/95/12/524499512.db2.gz	RZFYFYVLANLESX-UHFFFAOYSA-N	1	0	367.515	1.808	20	30		FDEDRO
Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)Nc1sc3c(c1C#N)CCC3)CC2	ZINC000112549281	524502844	/nfs/dbraw/zinc/50/28/44/524502844.db2.gz	MHLXLGDXVWYBTB-CMPLNLGQSA-N	1	0	370.482	1.940	20	30		FDEDRO
C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1	ZINC000122331647	524509650	/nfs/dbraw/zinc/50/96/50/524509650.db2.gz	HNHJVAUTQXDSGV-HIFRSBDPSA-N	1	0	372.473	1.391	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(-n3cccn3)ccn2)c1C#N	ZINC000089675621	524519673	/nfs/dbraw/zinc/51/96/73/524519673.db2.gz	CLAYSYVWWYGHLV-UHFFFAOYSA-N	1	0	350.386	1.266	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cccnc2OCC(F)F)c1C#N	ZINC000089676407	524519811	/nfs/dbraw/zinc/51/98/11/524519811.db2.gz	YVHMFAUBBQRBLH-UHFFFAOYSA-N	1	0	364.356	1.725	20	30		FDEDRO
C[NH+]1CCN(c2ccc(NC(=O)Cc3cccc(OCC#N)c3)nc2)CC1	ZINC000089752986	524524305	/nfs/dbraw/zinc/52/43/05/524524305.db2.gz	KYZRZVNAACWBNQ-UHFFFAOYSA-N	1	0	365.437	1.917	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)NCc1ccc(Cl)s1	ZINC000089942478	524554391	/nfs/dbraw/zinc/55/43/91/524554391.db2.gz	QAPAGUQQZCHEFV-UHFFFAOYSA-N	1	0	366.878	1.759	20	30		FDEDRO
C[NH+]=C(NCc1cc(F)ccc1F)N[C@H]1CCc2nc(COC)nn2C1	ZINC000159147741	524604269	/nfs/dbraw/zinc/60/42/69/524604269.db2.gz	FKMCNPHBXBNMCY-ZDUSSCGKSA-N	1	0	364.400	1.383	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C[N@@H+](C)CC)C2)cc1	ZINC000174495819	524605190	/nfs/dbraw/zinc/60/51/90/524605190.db2.gz	XDWUGUQMRKVKOO-OAHLLOKOSA-N	1	0	365.499	1.565	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1	ZINC000159293878	524636132	/nfs/dbraw/zinc/63/61/32/524636132.db2.gz	QJVABUDMDYCUHZ-INIZCTEOSA-N	1	0	357.454	1.731	20	30		FDEDRO
CC[C@@H](CSC)[N@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000091096992	524641193	/nfs/dbraw/zinc/64/11/93/524641193.db2.gz	LNAGFCBDKBZYJV-AWEZNQCLSA-N	1	0	365.503	1.577	20	30		FDEDRO
CC[C@H](CSC)[N@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000091096993	524641521	/nfs/dbraw/zinc/64/15/21/524641521.db2.gz	LNAGFCBDKBZYJV-CQSZACIVSA-N	1	0	365.503	1.577	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)c1C#N	ZINC000174615904	524653610	/nfs/dbraw/zinc/65/36/10/524653610.db2.gz	DPPWLBCZAIZFTA-GOSISDBHSA-N	1	0	371.485	1.193	20	30		FDEDRO
CC[C@@H](CO)N1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1	ZINC000123293597	524721486	/nfs/dbraw/zinc/72/14/86/524721486.db2.gz	PYJPJQPJAGYDEA-AWEZNQCLSA-N	1	0	357.863	1.289	20	30		FDEDRO
CC[C@H](CO)N1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1	ZINC000123293817	524721744	/nfs/dbraw/zinc/72/17/44/524721744.db2.gz	PYJPJQPJAGYDEA-CQSZACIVSA-N	1	0	357.863	1.289	20	30		FDEDRO
CS[C@H]1CCCC[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1	ZINC000091631880	524747114	/nfs/dbraw/zinc/74/71/14/524747114.db2.gz	QMZOVDHCUKSBMV-DLBZAZTESA-N	1	0	352.548	1.896	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1	ZINC000174883545	524776858	/nfs/dbraw/zinc/77/68/58/524776858.db2.gz	CVSDWIKBUFOWLL-PXNSSMCTSA-N	1	0	369.513	1.987	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)c1C#N	ZINC000174920992	524799130	/nfs/dbraw/zinc/79/91/30/524799130.db2.gz	OPBFADZQNUAVHO-UHFFFAOYSA-N	1	0	370.453	1.376	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)CN2CCN(c3ccccc3C#N)CC2)CC1	ZINC000114456188	524804112	/nfs/dbraw/zinc/80/41/12/524804112.db2.gz	IHALPLAVSTVSMU-UHFFFAOYSA-N	1	0	369.513	1.669	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@H](C)c3ccncc3)CC2)o1	ZINC000091986004	524823634	/nfs/dbraw/zinc/82/36/34/524823634.db2.gz	YIUWLJBJBXARPX-CQSZACIVSA-N	1	0	368.441	1.591	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](CC(N)=O)C2)c(OC)c1	ZINC000175211736	524904924	/nfs/dbraw/zinc/90/49/24/524904924.db2.gz	WPVVNFCOLRRTAS-IAGOWNOFSA-N	1	0	362.470	1.751	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(C#N)nc3)cn2)CC1	ZINC000115335484	524967670	/nfs/dbraw/zinc/96/76/70/524967670.db2.gz	PPODOSNGPGGLAK-UHFFFAOYSA-N	1	0	350.426	1.420	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1	ZINC000115433366	524995618	/nfs/dbraw/zinc/99/56/18/524995618.db2.gz	UEAUJJPLWYMWPI-OAHLLOKOSA-N	1	0	365.499	1.565	20	30		FDEDRO
COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1)CC2	ZINC000124640457	525040787	/nfs/dbraw/zinc/04/07/87/525040787.db2.gz	GLCHAQHXWWXEOW-IUODEOHRSA-N	1	0	354.414	1.228	20	30		FDEDRO
C=C(C)COCCNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1	ZINC000161295502	525073886	/nfs/dbraw/zinc/07/38/86/525073886.db2.gz	KFLMMJSTDSEHST-UHFFFAOYSA-N	1	0	374.485	1.081	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000153269857	525162497	/nfs/dbraw/zinc/16/24/97/525162497.db2.gz	SSQRVMAGKUAUIE-UHFFFAOYSA-N	1	0	371.832	1.892	20	30		FDEDRO
CC(C)n1nccc1NC(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153292128	525167928	/nfs/dbraw/zinc/16/79/28/525167928.db2.gz	LOMMCCAACXDAGR-GFCCVEGCSA-N	1	0	358.450	1.533	20	30		FDEDRO
C[NH+]=C(NCc1cccc2c1OCO2)N1CCO[C@@H](c2cnn(C)c2)C1	ZINC000153297317	525170074	/nfs/dbraw/zinc/17/00/74/525170074.db2.gz	TWNZQNWXOWFLBR-MRXNPFEDSA-N	1	0	357.414	1.298	20	30		FDEDRO
COc1ccccc1NC(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000125490434	525206007	/nfs/dbraw/zinc/20/60/07/525206007.db2.gz	CWUWOZIZWMSFOT-GFCCVEGCSA-N	1	0	356.430	1.764	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccc(C#N)cc1	ZINC000125535195	525210439	/nfs/dbraw/zinc/21/04/39/525210439.db2.gz	ZYJJIPBPJHUWDX-CYBMUJFWSA-N	1	0	354.414	1.132	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CNC(=O)c1ccsc1	ZINC000125557846	525213329	/nfs/dbraw/zinc/21/33/29/525213329.db2.gz	BBIBOVRHHFQJQF-UHFFFAOYSA-N	1	0	370.478	1.940	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(CC(=O)N[C@H](CC)CO)cc2)CC1	ZINC000125608385	525218410	/nfs/dbraw/zinc/21/84/10/525218410.db2.gz	NSBYZAQONGZLSF-GOSISDBHSA-N	1	0	371.481	1.400	20	30		FDEDRO
CC(C)CN1CCO[C@H](C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000177124976	525244424	/nfs/dbraw/zinc/24/44/24/525244424.db2.gz	DLCMZBTULPGQQK-CYBMUJFWSA-N	1	0	373.425	1.472	20	30		FDEDRO
CC(C)[NH+](CCNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)C(C)C	ZINC000162385369	525252615	/nfs/dbraw/zinc/25/26/15/525252615.db2.gz	RYYGXMKDUZWRCQ-MRXNPFEDSA-N	1	0	373.505	1.687	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCOc2ccccc21)N[C@@H]1CCc2ncnn2C1	ZINC000126043614	525266909	/nfs/dbraw/zinc/26/69/09/525266909.db2.gz	QBAYNEBJKQMLOU-LSDHHAIUSA-N	1	0	354.458	1.714	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1	ZINC000126125755	525275768	/nfs/dbraw/zinc/27/57/68/525275768.db2.gz	WNLSHLRUCZIXLH-YOEHRIQHSA-N	1	0	363.483	1.010	20	30		FDEDRO
CS(=O)(=O)CCCON=C(N)c1ccccc1C[NH+]1CCCCC1	ZINC000103136210	525329452	/nfs/dbraw/zinc/32/94/52/525329452.db2.gz	ZDNYMLOBNCVJFH-UHFFFAOYSA-N	1	0	353.488	1.744	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000103151258	525335548	/nfs/dbraw/zinc/33/55/48/525335548.db2.gz	SPRJMKJUJMNDNM-MRXNPFEDSA-N	1	0	369.469	1.125	20	30		FDEDRO
N#Cc1cc(F)ccc1CN1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1	ZINC000103226539	525340436	/nfs/dbraw/zinc/34/04/36/525340436.db2.gz	CDRRFTAPEMYREA-UHFFFAOYSA-N	1	0	372.444	1.633	20	30		FDEDRO
C=CCC[C@H](CC)[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1	ZINC000127178823	525391933	/nfs/dbraw/zinc/39/19/33/525391933.db2.gz	LMMXXWGUFKCXCE-KRWDZBQOSA-N	1	0	366.531	1.868	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NC[C@H](c1ccc(Cl)cc1)N1CCOCC1	ZINC000104181810	525397424	/nfs/dbraw/zinc/39/74/24/525397424.db2.gz	ONNKFGMUGHCKFJ-CZUORRHYSA-N	1	0	354.882	1.653	20	30		FDEDRO
C#CCC[NH+]1CCN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)CC1	ZINC000127256934	525402834	/nfs/dbraw/zinc/40/28/34/525402834.db2.gz	NIXIVMZTKNLKLJ-UHFFFAOYSA-N	1	0	364.375	1.822	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(S(=O)(=O)C(F)F)cc1	ZINC000104326723	525405191	/nfs/dbraw/zinc/40/51/91/525405191.db2.gz	SBURUANHRUOTBI-UHFFFAOYSA-N	1	0	373.425	1.990	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cccc(C[NH+](C)C)c1	ZINC000163523095	525421187	/nfs/dbraw/zinc/42/11/87/525421187.db2.gz	JFSGUZOCZDLLCG-OAHLLOKOSA-N	1	0	364.453	1.761	20	30		FDEDRO
N#Cc1ncn(CC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)n1	ZINC000178406305	525421704	/nfs/dbraw/zinc/42/17/04/525421704.db2.gz	JAOIEVQJZUFSHT-OAHLLOKOSA-N	1	0	358.833	1.756	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]([NH3+])C(C)(C)C)cc1	ZINC000178619349	525452794	/nfs/dbraw/zinc/45/27/94/525452794.db2.gz	QXRPKNRRZZIMSL-KWPCUBQOSA-N	1	0	366.487	1.811	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1	ZINC000118127609	525477217	/nfs/dbraw/zinc/47/72/17/525477217.db2.gz	XFHWPZVWGJSSGU-CYBMUJFWSA-N	1	0	358.442	1.140	20	30		FDEDRO
C[NH+](C)CCN(C(=O)CNC(=O)c1ccc(C#N)cc1)c1ccccc1	ZINC000154330790	525496934	/nfs/dbraw/zinc/49/69/34/525496934.db2.gz	YKGVXJHSHQTPGO-UHFFFAOYSA-N	1	0	350.422	1.883	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CC(=O)N(CCC#N)CCC#N)CC1	ZINC000118825256	525549889	/nfs/dbraw/zinc/54/98/89/525549889.db2.gz	LQWQSLXXPKJXNI-KDURUIRLSA-N	1	0	374.533	1.133	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)CN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000154545389	525567705	/nfs/dbraw/zinc/56/77/05/525567705.db2.gz	FZFDTOYDNCQPDD-GBESFXJTSA-N	1	0	363.550	1.485	20	30		FDEDRO
C[C@@](O)(CNC(=[NH2+])NCCCN1CCOCC1)c1ccccc1Cl	ZINC000154570273	525577027	/nfs/dbraw/zinc/57/70/27/525577027.db2.gz	ICKXZLBKVYAASJ-QGZVFWFLSA-N	1	0	354.882	1.174	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1	ZINC000154605111	525587174	/nfs/dbraw/zinc/58/71/74/525587174.db2.gz	AXDWRFIIWJRKHS-GJEKEPIOSA-N	1	0	364.471	1.438	20	30		FDEDRO
C=CCNC(=O)CNC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@H](C)C(C)C)C2	ZINC000179763415	525627770	/nfs/dbraw/zinc/62/77/70/525627770.db2.gz	CGLYYQYTQRTFMI-CQSZACIVSA-N	1	0	372.469	1.404	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC2CCN(c3ncccn3)CC2)CC1	ZINC000106275582	525686092	/nfs/dbraw/zinc/68/60/92/525686092.db2.gz	VCSZYLNZJLJQDT-UHFFFAOYSA-N	1	0	358.490	1.785	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CCNC(=O)c2[nH]nc3ccccc32)CC1	ZINC000106290830	525687802	/nfs/dbraw/zinc/68/78/02/525687802.db2.gz	VGBZOEDXBZDQJS-UHFFFAOYSA-N	1	0	369.469	1.840	20	30		FDEDRO
CC(C)([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)C(=O)NCC1CCCC1	ZINC000155082883	525736519	/nfs/dbraw/zinc/73/65/19/525736519.db2.gz	DRELPMDCMAOCGM-QGZVFWFLSA-N	1	0	359.470	1.973	20	30		FDEDRO
[NH2+]=C(NCCC(=O)N1CCOCC1)Nc1ccc(OC(F)(F)F)cc1	ZINC000170910082	525765862	/nfs/dbraw/zinc/76/58/62/525765862.db2.gz	KZYCQFASLUITBP-UHFFFAOYSA-N	1	0	360.336	1.561	20	30		FDEDRO
C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000180874070	525767376	/nfs/dbraw/zinc/76/73/76/525767376.db2.gz	XVMWFZVHYUAGSC-GHXQLAGASA-N	1	0	360.389	1.659	20	30		FDEDRO
CCc1cccc(NC(=[NH2+])NC[C@H](O)CS(=O)(=O)c2cccs2)c1	ZINC000130777988	525795762	/nfs/dbraw/zinc/79/57/62/525795762.db2.gz	FBSMLQVAMPFSLR-AWEZNQCLSA-N	1	0	367.496	1.872	20	30		FDEDRO
C=CCNC(=O)C[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2	ZINC000181125544	525810897	/nfs/dbraw/zinc/81/08/97/525810897.db2.gz	SMGNRQKDNAPOOD-UHFFFAOYSA-N	1	0	356.426	1.640	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCc2nc(C)nn2C1)C(C)C	ZINC000171040968	525812709	/nfs/dbraw/zinc/81/27/09/525812709.db2.gz	VIJAQQXHZNQEFD-DLBZAZTESA-N	1	0	360.506	1.899	20	30		FDEDRO
C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000171135388	525865305	/nfs/dbraw/zinc/86/53/05/525865305.db2.gz	AYSPDLQEZUXIHF-CQSZACIVSA-N	1	0	352.442	1.930	20	30		FDEDRO
C[N@H+](CCN1CCN(C(=O)c2ccc(C#N)cn2)CC1)Cc1ccccc1	ZINC000107594674	525898727	/nfs/dbraw/zinc/89/87/27/525898727.db2.gz	LVAWVUNRQFLLCB-UHFFFAOYSA-N	1	0	363.465	1.843	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+][C@]2(CO)CCc3ccccc32)cc1	ZINC000132221672	525946915	/nfs/dbraw/zinc/94/69/15/525946915.db2.gz	KXCVADWSSSXHAW-RXVVDRJESA-N	1	0	352.434	1.916	20	30		FDEDRO
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CC(=O)Nc2cccc(C#N)c2)CC1	ZINC000120058014	525949702	/nfs/dbraw/zinc/94/97/02/525949702.db2.gz	LKOPNZKYYCKVJG-QZTJIDSGSA-N	1	0	369.513	1.987	20	30		FDEDRO
NC(CCN1CC[NH+](Cc2ccccc2)CC1)=NOCC(=O)N1CCCC1	ZINC000108351898	525958521	/nfs/dbraw/zinc/95/85/21/525958521.db2.gz	WJYIPGFPIQTFBA-UHFFFAOYSA-N	1	0	373.501	1.106	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(Cn3ccnn3)CC2)cc1	ZINC000155732513	525959781	/nfs/dbraw/zinc/95/97/81/525959781.db2.gz	CWRWAAGOBWCCIN-GOSISDBHSA-N	1	0	355.442	1.496	20	30		FDEDRO
Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](CC(N)=O)C2CCOCC2)c(C#N)c1C	ZINC000181940136	525992200	/nfs/dbraw/zinc/99/22/00/525992200.db2.gz	XWJJCOGBNSXOTF-IAQYHMDHSA-N	1	0	362.430	1.355	20	30		FDEDRO
C[C@@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(OCC#N)cc1	ZINC000181978723	526007109	/nfs/dbraw/zinc/00/71/09/526007109.db2.gz	MPEJMFFLYFBFRQ-AEFFLSMTSA-N	1	0	372.469	1.173	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1	ZINC000133345395	526049700	/nfs/dbraw/zinc/04/97/00/526049700.db2.gz	XZPYCOJMJBOADZ-AWEZNQCLSA-N	1	0	374.485	1.633	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCCNC(=O)c2ccc(OC)cc2)CC1	ZINC000171718650	526091775	/nfs/dbraw/zinc/09/17/75/526091775.db2.gz	QTIFTXSHBVEMII-UHFFFAOYSA-N	1	0	360.458	1.375	20	30		FDEDRO
C[C@@H]1C[NH2+][C@@H](C)CN1S(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000156266039	526094724	/nfs/dbraw/zinc/09/47/24/526094724.db2.gz	SLKONNWMEZSCLG-VHSXEESVSA-N	1	0	358.261	1.692	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CCc2ccc(S(=O)(=O)NC)cc2)CC1	ZINC000171724324	526095057	/nfs/dbraw/zinc/09/50/57/526095057.db2.gz	UNFKIOKLIOJNQF-UHFFFAOYSA-N	1	0	365.499	1.294	20	30		FDEDRO
CS(=O)(=O)N1CC[C@@H](CNC(=[NH2+])Nc2cccc3c2CCCC3)C1	ZINC000133833855	526099924	/nfs/dbraw/zinc/09/99/24/526099924.db2.gz	PYVINPLEKOUURJ-ZDUSSCGKSA-N	1	0	350.488	1.574	20	30		FDEDRO
CC(=O)N1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000120734702	526167504	/nfs/dbraw/zinc/16/75/04/526167504.db2.gz	UBLGSHDNCFHZKE-SFHVURJKSA-N	1	0	357.458	1.252	20	30		FDEDRO
C=CCc1cc(CN2CCN(CC(=O)NC3CC3)CC2)cc(OC)c1O	ZINC000120751712	526170436	/nfs/dbraw/zinc/17/04/36/526170436.db2.gz	AGIDDFURDKTGCA-UHFFFAOYSA-N	1	0	359.470	1.526	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000109755026	526175908	/nfs/dbraw/zinc/17/59/08/526175908.db2.gz	CIZSCSFKODJOAP-PMACEKPBSA-N	1	0	372.513	1.400	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H](O)CCc1ccccc1	ZINC000182460911	526179626	/nfs/dbraw/zinc/17/96/26/526179626.db2.gz	FRYXXAZFULFVEX-SJLPKXTDSA-N	1	0	351.454	1.852	20	30		FDEDRO
C[C@H](C#N)CNC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000182814424	535867567	/nfs/dbraw/zinc/86/75/67/535867567.db2.gz	VALYXJJLFZPHQP-QZTJIDSGSA-N	1	0	370.501	1.785	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)NC[C@H](C)C#N)CC1	ZINC000182844091	535873660	/nfs/dbraw/zinc/87/36/60/535873660.db2.gz	VOPRXUOEUMMEDZ-OAHLLOKOSA-N	1	0	351.495	1.416	20	30		FDEDRO
CC[C@@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC[N@@H+]1Cc1ccccc1	ZINC000184006252	536079182	/nfs/dbraw/zinc/07/91/82/536079182.db2.gz	ZJDXCMBIPFQOJQ-MRXNPFEDSA-N	1	0	367.453	1.056	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1	ZINC000184311638	536131131	/nfs/dbraw/zinc/13/11/31/536131131.db2.gz	BQUAMAXYILONJZ-GDLCADMTSA-N	1	0	370.272	1.679	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000184504338	536157778	/nfs/dbraw/zinc/15/77/78/536157778.db2.gz	KAYOZHXUSHIZLH-LBPRGKRZSA-N	1	0	356.879	1.126	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1F	ZINC000185098369	536198571	/nfs/dbraw/zinc/19/85/71/536198571.db2.gz	FBTSJKWSTOELMK-NFAWXSAZSA-N	1	0	367.446	1.099	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1	ZINC000185123201	536199346	/nfs/dbraw/zinc/19/93/46/536199346.db2.gz	KECOMKUPJDMLTL-RDJZCZTQSA-N	1	0	355.438	1.580	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N[C@H](C)CCN2CC[NH+](C)CC2)c1C#N	ZINC000185351041	536206152	/nfs/dbraw/zinc/20/61/52/536206152.db2.gz	ICISPQGDSXQYNP-OAHLLOKOSA-N	1	0	350.488	1.171	20	30		FDEDRO
C#C[C@H](C)NC(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1	ZINC000186053660	536224293	/nfs/dbraw/zinc/22/42/93/536224293.db2.gz	KUNMPNJTKGUKLS-INIZCTEOSA-N	1	0	359.470	1.997	20	30		FDEDRO
Cc1nc(C(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1C#N	ZINC000188166972	536284488	/nfs/dbraw/zinc/28/44/88/536284488.db2.gz	OZFYLWZSWHQUHU-NRFANRHFSA-N	1	0	364.449	1.971	20	30		FDEDRO
CCOc1ccc([C@@H]2C[C@H]2NC(=[NH2+])N2CCN(c3ncccn3)CC2)cc1	ZINC000262792920	536902435	/nfs/dbraw/zinc/90/24/35/536902435.db2.gz	LCQKBCKYDSVARU-ZWKOTPCHSA-N	1	0	366.469	1.868	20	30		FDEDRO
C[NH+]=C(NCCc1nc(C(C)(C)C)cs1)N[C@H]1CCC(=O)N(C)C1	ZINC000262804923	536905490	/nfs/dbraw/zinc/90/54/90/536905490.db2.gz	SDZYSJGGGFCDPT-LBPRGKRZSA-N	1	0	351.520	1.769	20	30		FDEDRO
CNC(NC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(-c2ccc(F)cc2)c1)=[NH+]C	ZINC000262805369	536906858	/nfs/dbraw/zinc/90/68/58/536906858.db2.gz	SMCFQSCMNRDOLR-YVEFUNNKSA-N	1	0	358.421	1.326	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)CN1CC[N@H+](C[C@H](C)O)[C@H](CC)C1	ZINC000246242814	536909005	/nfs/dbraw/zinc/90/90/05/536909005.db2.gz	DKPZEAUDHLBTBS-DFQSSKMNSA-N	1	0	362.514	1.932	20	30		FDEDRO
C=CCN(CCOC)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1	ZINC000188636958	536918113	/nfs/dbraw/zinc/91/81/13/536918113.db2.gz	RBERHQROZRLHBA-UHFFFAOYSA-N	1	0	361.486	1.987	20	30		FDEDRO
C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)C1	ZINC000246323964	536927498	/nfs/dbraw/zinc/92/74/98/536927498.db2.gz	XDWSLAJSHFLNOG-LPYRORPOSA-N	1	0	354.454	1.938	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1	ZINC000188689617	536928121	/nfs/dbraw/zinc/92/81/21/536928121.db2.gz	LNRYIKWZCDHANL-UHFFFAOYSA-N	1	0	371.462	1.684	20	30		FDEDRO
CC(C)[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1nc(-c2nc[nH]n2)no1	ZINC000188816807	536955626	/nfs/dbraw/zinc/95/56/26/536955626.db2.gz	XQSMVNNBJGUKOM-ZIAGYGMSSA-N	1	0	353.386	1.747	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)CN1CCO[C@@H](Cn2cccn2)C1	ZINC000246585319	536986582	/nfs/dbraw/zinc/98/65/82/536986582.db2.gz	SLHIIZFHHVJYSM-RBUKOAKNSA-N	1	0	357.454	1.752	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCC([C@@H]3CCCO3)CC2)CC1	ZINC000189174637	537007852	/nfs/dbraw/zinc/00/78/52/537007852.db2.gz	WUGQKTSHBQTSLG-OALUTQOASA-N	1	0	362.518	1.570	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@@H](Cn4ccnn4)C3)C2=O)cc1	ZINC000246729385	537013836	/nfs/dbraw/zinc/01/38/36/537013836.db2.gz	OPXDDEWYZRKCET-AEFFLSMTSA-N	1	0	350.426	1.667	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)CCCC(=O)NC)c(OC)c1	ZINC000269902485	537027787	/nfs/dbraw/zinc/02/77/87/537027787.db2.gz	JLIRUTDMABMLHA-INIZCTEOSA-N	1	0	350.459	1.621	20	30		FDEDRO
CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)C1	ZINC000246822941	537033762	/nfs/dbraw/zinc/03/37/62/537033762.db2.gz	DNTPXBHEYNAGTH-NVXWUHKLSA-N	1	0	356.474	1.514	20	30		FDEDRO
Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2cccc(C#N)c2)o1	ZINC000189365369	537033977	/nfs/dbraw/zinc/03/39/77/537033977.db2.gz	CWHCBXNGTIYNCH-UHFFFAOYSA-N	1	0	354.410	1.989	20	30		FDEDRO
C[C@H]1CN(CC(=O)N(CCC#N)c2ccccc2)CC[N@@H+]1CC(C)(C)O	ZINC000189919489	537115959	/nfs/dbraw/zinc/11/59/59/537115959.db2.gz	KMDADPDHBXJSDI-KRWDZBQOSA-N	1	0	358.486	1.710	20	30		FDEDRO
C[C@@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)C(C)(C)C[NH+](C)C	ZINC000247526984	537129375	/nfs/dbraw/zinc/12/93/75/537129375.db2.gz	ZMNMSTANZKMGIN-HUUCEWRRSA-N	1	0	373.505	1.545	20	30		FDEDRO
COc1cccc(CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)c1O	ZINC000264289167	537140292	/nfs/dbraw/zinc/14/02/92/537140292.db2.gz	PHUMHBGEUYOOET-UHFFFAOYSA-N	1	0	364.446	1.768	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1ccc(-n2ccnc2)c(F)c1	ZINC000264969174	537150641	/nfs/dbraw/zinc/15/06/41/537150641.db2.gz	DQTMNGKKPCUVHZ-UHFFFAOYSA-N	1	0	360.437	1.009	20	30		FDEDRO
CCCOc1ccc(CNC(NCCN2CCOCC2)=[NH+]C)cc1OC	ZINC000264968385	537150785	/nfs/dbraw/zinc/15/07/85/537150785.db2.gz	DFQBQOOFABKVOV-UHFFFAOYSA-N	1	0	364.490	1.481	20	30		FDEDRO
C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000190269358	537160051	/nfs/dbraw/zinc/16/00/51/537160051.db2.gz	YHVVWTKWUJEREL-SJORKVTESA-N	1	0	355.442	1.005	20	30		FDEDRO
CC#CCNC(=O)C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000190531396	537177212	/nfs/dbraw/zinc/17/72/12/537177212.db2.gz	RMUIETARVVYRCL-KRWDZBQOSA-N	1	0	365.437	1.408	20	30		FDEDRO
CCCc1cnc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)s1	ZINC000190809682	537187234	/nfs/dbraw/zinc/18/72/34/537187234.db2.gz	IGHCHCBJNKCIDR-UHFFFAOYSA-N	1	0	351.476	1.728	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1	ZINC000192157160	537221507	/nfs/dbraw/zinc/22/15/07/537221507.db2.gz	WHEYXQHWQQBEBB-CRAIPNDOSA-N	1	0	362.861	1.964	20	30		FDEDRO
O=C1[C@@H]([N+]23CCN(CC2)CC3)CCN1c1cccc(Br)c1	ZINC000192398545	537223797	/nfs/dbraw/zinc/22/37/97/537223797.db2.gz	LJKNYHXFQMNGSB-HNNXBMFYSA-N	1	0	351.268	1.700	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(c2ncccc2C#N)CC1)[N@@H+]1CCC[C@H](C)C1	ZINC000249520790	537237562	/nfs/dbraw/zinc/23/75/62/537237562.db2.gz	MNQHRTVUSIRFHB-DLBZAZTESA-N	1	0	370.501	1.905	20	30		FDEDRO
CN(CC(=O)N[C@@](C)(C#N)C1CC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000249534064	537237865	/nfs/dbraw/zinc/23/78/65/537237865.db2.gz	BXLORIBWXGGFND-SFTDATJTSA-N	1	0	370.497	1.364	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](c1cccs1)N1CCOCC1	ZINC000193135513	537240888	/nfs/dbraw/zinc/24/08/88/537240888.db2.gz	ULYGWBPKRUVWGO-ZIAGYGMSSA-N	1	0	366.487	1.111	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000193438250	537247867	/nfs/dbraw/zinc/24/78/67/537247867.db2.gz	ACJPKCJSMNWJNH-JKSUJKDBSA-N	1	0	371.485	1.996	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccccc2C#N)[C@@H](C)C1	ZINC000252692877	537251306	/nfs/dbraw/zinc/25/13/06/537251306.db2.gz	XDYMNECPRDINCZ-RDJZCZTQSA-N	1	0	365.499	1.974	20	30		FDEDRO
C[C@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000193648445	537253584	/nfs/dbraw/zinc/25/35/84/537253584.db2.gz	NVTCHBGXTAQTEY-LRDDRELGSA-N	1	0	367.371	1.287	20	30		FDEDRO
[NH2+]=C(NCc1ccc(-n2cccn2)cc1)N1CCN(c2ncccn2)CC1	ZINC000261989390	537253618	/nfs/dbraw/zinc/25/36/18/537253618.db2.gz	LEJWIFZGJOLSGG-UHFFFAOYSA-N	1	0	362.441	1.299	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N(C)Cc1ccc2c(c1)OCO2	ZINC000262776433	537254362	/nfs/dbraw/zinc/25/43/62/537254362.db2.gz	KAHHNSOAQYTXJP-OAHLLOKOSA-N	1	0	370.457	1.585	20	30		FDEDRO
C[C@@H](Cn1cccn1)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000298691196	537275984	/nfs/dbraw/zinc/27/59/84/537275984.db2.gz	DRASZONMIOJSMH-INIZCTEOSA-N	1	0	354.458	1.917	20	30		FDEDRO
CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)C1	ZINC000270209778	537296787	/nfs/dbraw/zinc/29/67/87/537296787.db2.gz	QMHUZHVHXWKVIT-INIZCTEOSA-N	1	0	354.454	1.638	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)NCCC(=O)N1CCOCC1)C(C)C	ZINC000298748750	537297866	/nfs/dbraw/zinc/29/78/66/537297866.db2.gz	SUSQYTQOQZXLDA-KRWDZBQOSA-N	1	0	366.506	1.233	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccn(-c2cccc(C#N)c2)n1	ZINC000282284243	537302970	/nfs/dbraw/zinc/30/29/70/537302970.db2.gz	KIUZUDKLWMUYCN-OAHLLOKOSA-N	1	0	367.453	1.661	20	30		FDEDRO
COc1cc(/C=C/C(=O)NCCC[N@H+](C)CCN(C)C)ccc1OCC#N	ZINC000290263368	537306085	/nfs/dbraw/zinc/30/60/85/537306085.db2.gz	ZCXSMKAWLPFXSH-VQHVLOKHSA-N	1	0	374.485	1.610	20	30		FDEDRO
C#CCN(C(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1)C1CC1	ZINC000276170112	537312965	/nfs/dbraw/zinc/31/29/65/537312965.db2.gz	WMTPFZQCQMGSHL-UHFFFAOYSA-N	1	0	354.454	1.391	20	30		FDEDRO
Cc1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)ccc1C#N	ZINC000270531321	537346484	/nfs/dbraw/zinc/34/64/84/537346484.db2.gz	BCMWWNNHSVTUSP-OALUTQOASA-N	1	0	364.449	1.875	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)n1	ZINC000279636237	537351838	/nfs/dbraw/zinc/35/18/38/537351838.db2.gz	ZCZFDYTXXMKHKH-SFHVURJKSA-N	1	0	374.533	1.321	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccc(OCC[NH+](C)C)cc1	ZINC000283084578	537352069	/nfs/dbraw/zinc/35/20/69/537352069.db2.gz	VWXADQZBKYJJPD-AWEZNQCLSA-N	1	0	354.476	1.195	20	30		FDEDRO
C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000293124272	537358960	/nfs/dbraw/zinc/35/89/60/537358960.db2.gz	UJYLWJLTASBZQP-UHFFFAOYSA-N	1	0	353.220	1.327	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)NCCN2CCC([NH+](C)C)CC2)n1	ZINC000279923457	537359961	/nfs/dbraw/zinc/35/99/61/537359961.db2.gz	GDXUWWXAXPQLJV-UHFFFAOYSA-N	1	0	360.506	1.074	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N(CCC[NH+](C)C)Cc1ccccc1	ZINC000283331509	537369558	/nfs/dbraw/zinc/36/95/58/537369558.db2.gz	AKDLTNJAVOQDOE-INIZCTEOSA-N	1	0	352.504	1.777	20	30		FDEDRO
CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)[NH+]1CCC(C)CC1	ZINC000293166779	537375110	/nfs/dbraw/zinc/37/51/10/537375110.db2.gz	XATJTCPSRCOSFE-INIZCTEOSA-N	1	0	357.458	1.764	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@H]1CCOC(C)(C)C1)C(C)C	ZINC000283897980	537389442	/nfs/dbraw/zinc/38/94/42/537389442.db2.gz	FRQDJEKNYSLMBI-IRXDYDNUSA-N	1	0	365.518	1.875	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NCC1(CCOC)CC1)C(C)C	ZINC000283897644	537389621	/nfs/dbraw/zinc/38/96/21/537389621.db2.gz	FOOZJUGPYLRLAO-QGZVFWFLSA-N	1	0	365.518	1.734	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)nc1	ZINC000283890187	537390315	/nfs/dbraw/zinc/39/03/15/537390315.db2.gz	CSNWTANSWGJBQD-UHFFFAOYSA-N	1	0	374.485	1.643	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)NCC(C)(C)CCCO)C(C)C	ZINC000283933701	537394542	/nfs/dbraw/zinc/39/45/42/537394542.db2.gz	HCAVKALKJOPWCZ-KRWDZBQOSA-N	1	0	367.534	1.716	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N([C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)C1=O	ZINC000348608965	537397856	/nfs/dbraw/zinc/39/78/56/537397856.db2.gz	DQUKPGHAQWMROI-WMZOPIPTSA-N	1	0	372.469	1.320	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1	ZINC000290733098	537399422	/nfs/dbraw/zinc/39/94/22/537399422.db2.gz	WHVVWYHTLLZPPS-CYBMUJFWSA-N	1	0	373.457	1.495	20	30		FDEDRO
N#CCCn1ccc(=NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCCC2)[nH]1	ZINC000364822729	537400037	/nfs/dbraw/zinc/40/00/37/537400037.db2.gz	SIRYVAXPDDOWEZ-MRXNPFEDSA-N	1	0	372.473	1.602	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)NCCC[N@@H+](C)CCOC	ZINC000284251923	537405007	/nfs/dbraw/zinc/40/50/07/537405007.db2.gz	RHPCFUORGDHTDX-UHFFFAOYSA-N	1	0	361.486	1.328	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N(CC)CCC[NH+]2CCCC2)c1	ZINC000276304646	537407186	/nfs/dbraw/zinc/40/71/86/537407186.db2.gz	KZSFLJVZYZNIEA-UHFFFAOYSA-N	1	0	357.454	1.972	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCc3c(Cl)cccc3C2)CC1	ZINC000286339246	537432605	/nfs/dbraw/zinc/43/26/05/537432605.db2.gz	AYRBCRPGGCAVBL-UHFFFAOYSA-N	1	0	361.873	1.991	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cnc(C(F)(F)F)c(C#N)c1	ZINC000293371044	537433659	/nfs/dbraw/zinc/43/36/59/537433659.db2.gz	CMTWLFBYHANXIC-GFCCVEGCSA-N	1	0	369.391	1.728	20	30		FDEDRO
C=CCC[N@@H+](C)[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC	ZINC000276353744	537443884	/nfs/dbraw/zinc/44/38/84/537443884.db2.gz	DTTCJVBDHVZWKN-CYBMUJFWSA-N	1	0	369.487	1.780	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(OC[C@H]2CCCO2)c1	ZINC000293408354	537445309	/nfs/dbraw/zinc/44/53/09/537445309.db2.gz	OYGLSUXRTVWEEA-GOSISDBHSA-N	1	0	373.453	1.254	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(NC(C)=O)ccc1Cl	ZINC000293420902	537450695	/nfs/dbraw/zinc/45/06/95/537450695.db2.gz	PYULYFYGPNIGEL-UHFFFAOYSA-N	1	0	364.833	1.308	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000288112802	537453505	/nfs/dbraw/zinc/45/35/05/537453505.db2.gz	MWZYIRYGUCGRAE-JZWPEALZSA-N	1	0	370.453	2.000	20	30		FDEDRO
C[C@@H](C#N)CN(C)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-]	ZINC000271597982	537462293	/nfs/dbraw/zinc/46/22/93/537462293.db2.gz	HWOARRQUMPUTNL-LBPRGKRZSA-N	1	0	369.447	1.031	20	30		FDEDRO
CCOC(=O)c1cnn(C)c1NC(=O)C[NH2+][C@@H](C)c1ccc(C#N)cc1	ZINC000271715172	537480788	/nfs/dbraw/zinc/48/07/88/537480788.db2.gz	WMTIXLLDLYJKSW-LBPRGKRZSA-N	1	0	355.398	1.758	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc(N2CCOC2=O)cc1	ZINC000271794245	537497691	/nfs/dbraw/zinc/49/76/91/537497691.db2.gz	KXLCENDZQAJFOV-OAHLLOKOSA-N	1	0	369.425	1.950	20	30		FDEDRO
C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCn3ncc(C(N)=O)c3C2)cc1	ZINC000281177445	537508354	/nfs/dbraw/zinc/50/83/54/537508354.db2.gz	QIPSLYCXYAVMJQ-LSDHHAIUSA-N	1	0	352.438	1.907	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2C)cc1	ZINC000299256322	537515616	/nfs/dbraw/zinc/51/56/16/537515616.db2.gz	RSFPBKIZJPYQSH-OAHLLOKOSA-N	1	0	366.487	1.709	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(NC(=O)OC)c2C)CC1	ZINC000281252623	537519185	/nfs/dbraw/zinc/51/91/85/537519185.db2.gz	FYBLWQIPQVDAAA-UHFFFAOYSA-N	1	0	374.441	1.878	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)c1	ZINC000274561669	537528554	/nfs/dbraw/zinc/52/85/54/537528554.db2.gz	ZJLHMNOCLHTEOW-MRXNPFEDSA-N	1	0	363.483	1.201	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3cccnc3C#N)C[C@H]2[C@H]1c1ccccc1	ZINC000365478020	537533838	/nfs/dbraw/zinc/53/38/38/537533838.db2.gz	QBUQPYIIBSNRNH-GPMSIDNRSA-N	1	0	368.462	1.877	20	30		FDEDRO
C[N@@H+]1CCN(CCNS(=O)(=O)Cc2ccc(C#N)cc2)CC1(C)C	ZINC000289130064	537557267	/nfs/dbraw/zinc/55/72/67/537557267.db2.gz	JHGRJBQDTFPGAQ-UHFFFAOYSA-N	1	0	350.488	1.004	20	30		FDEDRO
CCOC(=O)[C@H]1CCCN(CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000289287419	537567482	/nfs/dbraw/zinc/56/74/82/537567482.db2.gz	QUSZLXAWBLELAW-AWEZNQCLSA-N	1	0	351.428	1.002	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@@H](CO)C1CCCC1	ZINC000289490099	537572308	/nfs/dbraw/zinc/57/23/08/537572308.db2.gz	JQWNOUSEMRQNGV-KRWDZBQOSA-N	1	0	353.426	1.823	20	30		FDEDRO
Cn1ccnc1[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1	ZINC000365706565	537579708	/nfs/dbraw/zinc/57/97/08/537579708.db2.gz	RLIXLUIDTGEUPG-GFCCVEGCSA-N	1	0	355.373	1.776	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1F	ZINC000291428044	537589014	/nfs/dbraw/zinc/58/90/14/537589014.db2.gz	YGFKMQPRERQBQB-IRXDYDNUSA-N	1	0	374.416	1.130	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@]2(F)CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000365823350	537591431	/nfs/dbraw/zinc/59/14/31/537591431.db2.gz	GSJPWICZWRDOBY-LJQANCHMSA-N	1	0	367.465	1.939	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C2CCN(c3nccc(OC)n3)CC2)CC1	ZINC000363009466	537602430	/nfs/dbraw/zinc/60/24/30/537602430.db2.gz	STSWWUAUOPPCQY-UHFFFAOYSA-N	1	0	373.501	1.858	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N(C)Cc1cccc(C#N)c1	ZINC000285109200	537609808	/nfs/dbraw/zinc/60/98/08/537609808.db2.gz	QLXUTSKLUOMKDI-JKSUJKDBSA-N	1	0	356.470	1.753	20	30		FDEDRO
CO/N=C/c1ccc(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1	ZINC000237111101	537611689	/nfs/dbraw/zinc/61/16/89/537611689.db2.gz	OJYGTKNBDJFCFE-AFNVYEKJSA-N	1	0	372.469	1.387	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(C#N)c(C)c3)C2)CC1	ZINC000277809770	537623259	/nfs/dbraw/zinc/62/32/59/537623259.db2.gz	HWVKXINXKFZAGL-QGZVFWFLSA-N	1	0	362.499	1.267	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1ccc(NS(=O)(=O)CCC)cc1	ZINC000293937523	537627784	/nfs/dbraw/zinc/62/77/84/537627784.db2.gz	IQHYUOLKUOVLLQ-UHFFFAOYSA-N	1	0	351.472	1.523	20	30		FDEDRO
Cn1ccnc(N2CCC[C@@H](NC(=O)C[N@H+](C)[C@@H]3CCSC3)C2)c1=O	ZINC000329163628	537634570	/nfs/dbraw/zinc/63/45/70/537634570.db2.gz	GKOIFDYKAZAMCF-ZIAGYGMSSA-N	1	0	365.503	1.143	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1	ZINC000294004629	537639663	/nfs/dbraw/zinc/63/96/63/537639663.db2.gz	PBJGCRZCMYCZQL-BETUJISGSA-N	1	0	354.458	1.701	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O	ZINC000294048502	537646765	/nfs/dbraw/zinc/64/67/65/537646765.db2.gz	TXQVURCCSGGIIL-UHFFFAOYSA-N	1	0	363.483	1.084	20	30		FDEDRO
O=C(N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)N1CC[C@H](C[NH+]2CCCC2)C1	ZINC000330027315	537650166	/nfs/dbraw/zinc/65/01/66/537650166.db2.gz	MXDLDGMNLIOSQF-KYJSFNMBSA-N	1	0	360.458	1.949	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCOC[C@H](C3CCC3)C2)CC1	ZINC000330222958	537652313	/nfs/dbraw/zinc/65/23/13/537652313.db2.gz	AAORGUHPGQSLQP-MOPGFXCFSA-N	1	0	362.518	1.427	20	30		FDEDRO
CC(C)CNC(=O)NC(=O)[C@H](C)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000330513681	537657554	/nfs/dbraw/zinc/65/75/54/537657554.db2.gz	CXUKILDEQLCWDY-IKGGRYGDSA-N	1	0	367.538	1.019	20	30		FDEDRO
CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(S(C)(=O)=O)s2)C1	ZINC000330942886	537662760	/nfs/dbraw/zinc/66/27/60/537662760.db2.gz	DBIDXYUGGADAQI-LBPRGKRZSA-N	1	0	359.517	1.839	20	30		FDEDRO
C=CCC(F)(F)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC[NH+](C)C	ZINC000298225558	537717643	/nfs/dbraw/zinc/71/76/43/537717643.db2.gz	ASBPLHIEPZYRTC-MRXNPFEDSA-N	1	0	365.424	1.829	20	30		FDEDRO
Cc1c(CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cnn1C	ZINC000292244407	537721063	/nfs/dbraw/zinc/72/10/63/537721063.db2.gz	LUGFBPLFFMXWFO-UHFFFAOYSA-N	1	0	351.454	1.877	20	30		FDEDRO
CN(C[C@H]1CCCN(Cc2cn3ccccc3c2C#N)C1)S(C)(=O)=O	ZINC000285581134	537732873	/nfs/dbraw/zinc/73/28/73/537732873.db2.gz	KXYLAYKMFJYHGJ-OAHLLOKOSA-N	1	0	360.483	1.914	20	30		FDEDRO
C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(-c4cccc(C#N)c4)no3)[C@H]2C1	ZINC000285730210	537751808	/nfs/dbraw/zinc/75/18/08/537751808.db2.gz	KJLOMDYCLFTNRV-DLBZAZTESA-N	1	0	352.394	1.758	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1	ZINC000375832562	537778487	/nfs/dbraw/zinc/77/84/87/537778487.db2.gz	QLNQXAISELHXCN-UHFFFAOYSA-N	1	0	374.420	1.973	20	30		FDEDRO
Cc1cn(-c2ncccc2F)nc1NC(=O)N(CCC#N)CCC[NH+](C)C	ZINC000366547566	537780108	/nfs/dbraw/zinc/78/01/08/537780108.db2.gz	UFKGBJANHIJFTO-UHFFFAOYSA-N	1	0	373.436	2.414	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1	ZINC000366710172	537828597	/nfs/dbraw/zinc/82/85/97/537828597.db2.gz	OUDBMPMIMIRDAS-SQNIBIBYSA-N	1	0	350.507	1.389	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1	ZINC000366724653	537834570	/nfs/dbraw/zinc/83/45/70/537834570.db2.gz	PLIKHFMOFRDUIW-MRXNPFEDSA-N	1	0	357.520	1.684	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1	ZINC000366796064	537863102	/nfs/dbraw/zinc/86/31/02/537863102.db2.gz	BVMDHEOIZPKILX-IRXDYDNUSA-N	1	0	356.470	1.979	20	30		FDEDRO
C[NH+]1CCC(NC(=O)N2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)CC1	ZINC000372219986	537900146	/nfs/dbraw/zinc/90/01/46/537900146.db2.gz	WOEUSFGBYONHDA-DJJJIMSYSA-N	1	0	353.426	1.136	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1	ZINC000411974017	537918832	/nfs/dbraw/zinc/91/88/32/537918832.db2.gz	XYMIMTVXCFLGFI-YSGRDPCXSA-N	1	0	356.470	1.558	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1	ZINC000410685946	537960182	/nfs/dbraw/zinc/96/01/82/537960182.db2.gz	FJBPGVSASSESFG-INIZCTEOSA-N	1	0	350.507	1.038	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)[C@@H]2CCCN(c3ccccc3OC)C2=O)C1=O	ZINC000368531148	537983532	/nfs/dbraw/zinc/98/35/32/537983532.db2.gz	TXKOITORLNMEFZ-IAGOWNOFSA-N	1	0	357.454	1.909	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCCN(Cc3noc(C4CC4)n3)C2)CC1	ZINC000369308928	538014717	/nfs/dbraw/zinc/01/47/17/538014717.db2.gz	WHQYASQDBABTTR-KRWDZBQOSA-N	1	0	371.485	1.373	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1)c1ccc(C#N)cc1	ZINC000419292620	538025067	/nfs/dbraw/zinc/02/50/67/538025067.db2.gz	UBHSDRRIALRSMZ-OAHLLOKOSA-N	1	0	354.454	1.728	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)CN2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)c1C	ZINC000419333296	538045074	/nfs/dbraw/zinc/04/50/74/538045074.db2.gz	UCMBLHBNPGRGEG-QZTJIDSGSA-N	1	0	372.513	1.937	20	30		FDEDRO
CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000415440356	538047238	/nfs/dbraw/zinc/04/72/38/538047238.db2.gz	OCTNVJHSVMFVJV-LBPRGKRZSA-N	1	0	372.347	1.537	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000417570198	538051417	/nfs/dbraw/zinc/05/14/17/538051417.db2.gz	DAKXYUFAIBKZEX-UNEWFSDZSA-N	1	0	359.449	1.963	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@@H]3CCC[NH2+]C3)C2)c(F)c1	ZINC000417579893	538054154	/nfs/dbraw/zinc/05/41/54/538054154.db2.gz	QEORUUBGVFGMFY-CVEARBPZSA-N	1	0	359.449	1.965	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1	ZINC000415453652	538057171	/nfs/dbraw/zinc/05/71/71/538057171.db2.gz	ZFCQEFFRBJHETC-QWHCGFSZSA-N	1	0	356.405	2.474	20	30		FDEDRO
CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000415489768	538068734	/nfs/dbraw/zinc/06/87/34/538068734.db2.gz	BMOZXPPIEQTHFN-LBPRGKRZSA-N	1	0	367.247	1.893	20	30		FDEDRO
N#CCC[C@H](NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1	ZINC000419483137	538076180	/nfs/dbraw/zinc/07/61/80/538076180.db2.gz	ZFXNDIMUZFFCKH-MLHJIOFPSA-N	1	0	354.454	1.652	20	30		FDEDRO
CC[NH2+][C@H](C)CNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000418589540	538096298	/nfs/dbraw/zinc/09/62/98/538096298.db2.gz	JIOKBHPWBVNZBH-CQSZACIVSA-N	1	0	369.473	1.556	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CC2)cc1	ZINC000419867588	538124016	/nfs/dbraw/zinc/12/40/16/538124016.db2.gz	IEKFQQBSHGDCGJ-CVEARBPZSA-N	1	0	370.453	1.314	20	30		FDEDRO
C[C@@H]([NH2+]C1(CNC(=O)Cn2cnc(C#N)n2)CCOCC1)c1ccccc1	ZINC000426761690	538129870	/nfs/dbraw/zinc/12/98/70/538129870.db2.gz	COFFVPSWTKGYDK-OAHLLOKOSA-N	1	0	368.441	1.166	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1	ZINC000419902492	538139315	/nfs/dbraw/zinc/13/93/15/538139315.db2.gz	UQTFWFFQRQBYDQ-MSOLQXFVSA-N	1	0	357.454	1.458	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C	ZINC000439348214	538172675	/nfs/dbraw/zinc/17/26/75/538172675.db2.gz	RIVQENGEWUIIBM-AWEZNQCLSA-N	1	0	374.441	1.075	20	30		FDEDRO
COCCN(CCS(=O)(=O)c1ccc(C#N)cn1)[C@H]1CCCSC1	ZINC000433183024	538206152	/nfs/dbraw/zinc/20/61/52/538206152.db2.gz	QSVIXOMLWFAUFN-HNNXBMFYSA-N	1	0	369.512	1.571	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1	ZINC000424051744	538223243	/nfs/dbraw/zinc/22/32/43/538223243.db2.gz	KTKKJZNDDHGFQJ-FMKPAKJESA-N	1	0	365.499	1.596	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NCc1cc(Br)c2c(c1)OCCO2	ZINC000424115595	538238855	/nfs/dbraw/zinc/23/88/55/538238855.db2.gz	VVBYBGDQWHZUDR-LBPRGKRZSA-N	1	0	368.231	1.858	20	30		FDEDRO
CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)[C@H]([NH3+])CCCC#N)C1	ZINC000424119018	538239995	/nfs/dbraw/zinc/23/99/95/538239995.db2.gz	DBWBSXCRMTWWAR-QWHCGFSZSA-N	1	0	362.396	1.657	20	30		FDEDRO
CCOC(=O)c1cc(NC(=O)[C@@H]([NH3+])CCCC#N)cc(S(C)(=O)=O)c1	ZINC000424120982	538240259	/nfs/dbraw/zinc/24/02/59/538240259.db2.gz	HXHUQPRDCWKBSI-AWEZNQCLSA-N	1	0	367.427	1.226	20	30		FDEDRO
COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)[C@H]([NH3+])CCCC#N)C2=O)c1	ZINC000424118026	538240343	/nfs/dbraw/zinc/24/03/43/538240343.db2.gz	CAQZGLMPMURQJO-IAGOWNOFSA-N	1	0	374.441	1.289	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1	ZINC000424154740	538247877	/nfs/dbraw/zinc/24/78/77/538247877.db2.gz	LUTKWEJNAFMVOW-KRWDZBQOSA-N	1	0	351.410	1.393	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cccc(C#N)c3Br)[C@H]2C1	ZINC000451591557	538282039	/nfs/dbraw/zinc/28/20/39/538282039.db2.gz	APAPLBVCOOYNDH-KBPBESRZSA-N	1	0	364.243	1.866	20	30		FDEDRO
COc1cc(C[NH2+]Cc2ccc([C@]3(C)NC(=O)NC3=O)cc2)ccc1C#N	ZINC000440829603	538285425	/nfs/dbraw/zinc/28/54/25/538285425.db2.gz	WGYMUXGWGPUUNG-FQEVSTJZSA-N	1	0	364.405	1.911	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)C1	ZINC000420416658	538289702	/nfs/dbraw/zinc/28/97/02/538289702.db2.gz	GPOSNGBTSJOSQC-UWVGGRQHSA-N	1	0	358.261	1.679	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2CCCO[C@H](C[NH3+])C2)ccc1C(F)(F)F	ZINC000420469126	538300820	/nfs/dbraw/zinc/30/08/20/538300820.db2.gz	IDEHLZMFZAJIDT-LLVKDONJSA-N	1	0	363.361	1.315	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]1CC12CC2	ZINC000422575332	538307021	/nfs/dbraw/zinc/30/70/21/538307021.db2.gz	STTWKARNYWGGGT-KRWDZBQOSA-N	1	0	354.454	1.365	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2	ZINC000560506187	545527795	/nfs/dbraw/zinc/52/77/95/545527795.db2.gz	NFLAWTZUHAFNBP-AZUAARDMSA-N	1	0	357.454	1.535	20	30		FDEDRO
C[NH+]1CCN(CCNC(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1	ZINC000429726424	538366451	/nfs/dbraw/zinc/36/64/51/538366451.db2.gz	RLQMDWSLGYJKAP-UHFFFAOYSA-N	1	0	366.469	1.441	20	30		FDEDRO
COCCO[C@H]1C[C@@H](CO)C[N@H+](CCC(=O)Nc2sccc2C#N)C1	ZINC000447388637	538376574	/nfs/dbraw/zinc/37/65/74/538376574.db2.gz	XAUNYYUNRNBDBP-HIFRSBDPSA-N	1	0	367.471	1.294	20	30		FDEDRO
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@H]1CCCC[N@@H+]1CCO	ZINC000452369925	538384462	/nfs/dbraw/zinc/38/44/62/538384462.db2.gz	FGDBCBNETGKHQA-KDOFPFPSSA-N	1	0	353.463	1.211	20	30		FDEDRO
Cc1cc(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)nn1-c1cccc(C#N)c1	ZINC000452386610	538387730	/nfs/dbraw/zinc/38/77/30/538387730.db2.gz	XXFSMKROQGAGAE-KRWDZBQOSA-N	1	0	367.453	1.629	20	30		FDEDRO
C=CCOC[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)OC	ZINC000481750051	538551461	/nfs/dbraw/zinc/55/14/61/538551461.db2.gz	NGCTXEWYHZCYFJ-ROUUACIJSA-N	1	0	360.454	1.759	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(CC[NH+](C)C)C2CC2)c1	ZINC000476816071	538559808	/nfs/dbraw/zinc/55/98/08/538559808.db2.gz	BQGOWZXJFMFFNC-UHFFFAOYSA-N	1	0	351.472	1.317	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(O)(C(=O)OCC)CC1	ZINC000494579692	538565887	/nfs/dbraw/zinc/56/58/87/538565887.db2.gz	NUVXCMUYBKXFTE-QGZVFWFLSA-N	1	0	363.454	1.545	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](NC(=O)NC)C2)c(OC)c1	ZINC000466925917	538574961	/nfs/dbraw/zinc/57/49/61/538574961.db2.gz	QAPWCMBYCQTOJY-CVEARBPZSA-N	1	0	363.458	1.167	20	30		FDEDRO
C[C@@H](C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)n1cnc(C#N)n1	ZINC000467076359	538601760	/nfs/dbraw/zinc/60/17/60/538601760.db2.gz	UQNGDVAYVHUIER-INIZCTEOSA-N	1	0	367.457	1.039	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OCC(=O)OC)cc1	ZINC000467192542	538625128	/nfs/dbraw/zinc/62/51/28/538625128.db2.gz	UXXZKRRWVOQYSK-STQMWFEESA-N	1	0	363.414	1.289	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)c3ccccc3C[NH+](C)C)CC2)c1C#N	ZINC000487438143	538646651	/nfs/dbraw/zinc/64/66/51/538646651.db2.gz	HQJXIBXUSKQUTG-UHFFFAOYSA-N	1	0	366.469	1.624	20	30		FDEDRO
C[C@@]1(CO)CCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000472611320	538669361	/nfs/dbraw/zinc/66/93/61/538669361.db2.gz	GOEDASREVVRPLG-LPHOPBHVSA-N	1	0	353.426	1.823	20	30		FDEDRO
N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@@H]3C[C@H]2CS3)CC1	ZINC000459799846	538701393	/nfs/dbraw/zinc/70/13/93/538701393.db2.gz	YNRCMCYRVBQYJW-BZSNNMDCSA-N	1	0	374.485	1.724	20	30		FDEDRO
CC[N@H+](CCNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1)C(C)C	ZINC000473695191	538791898	/nfs/dbraw/zinc/79/18/98/538791898.db2.gz	MFOQZWFQVILTOU-GOSISDBHSA-N	1	0	356.470	1.896	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cc1C#N	ZINC000489136728	538791993	/nfs/dbraw/zinc/79/19/93/538791993.db2.gz	YBVYZVMIPOXPMF-QGZVFWFLSA-N	1	0	358.467	1.713	20	30		FDEDRO
CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2ccc(C#N)c(F)c2)CC1	ZINC000489535466	538820761	/nfs/dbraw/zinc/82/07/61/538820761.db2.gz	WFRFCCHZXZOCAW-CQSZACIVSA-N	1	0	368.478	1.249	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1OC	ZINC000498481960	538833498	/nfs/dbraw/zinc/83/34/98/538833498.db2.gz	RMVABEQJVWPPNP-ARFHVFGLSA-N	1	0	372.469	1.835	20	30		FDEDRO
CC[C@@H]1CN(CCNC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)CCO1	ZINC000470440095	538836632	/nfs/dbraw/zinc/83/66/32/538836632.db2.gz	BKBJZFBKFMXXQJ-OAHLLOKOSA-N	1	0	360.458	1.435	20	30		FDEDRO
Cc1cc(C(=O)N(CCC#N)CCC[NH+](C)C)nn1-c1nc(C)cc(C)n1	ZINC000490129556	538851013	/nfs/dbraw/zinc/85/10/13/538851013.db2.gz	RLBXBBXVNOZKNG-UHFFFAOYSA-N	1	0	369.473	1.895	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)NCCNc1cc[nH+]cc1	ZINC000498959526	538866257	/nfs/dbraw/zinc/86/62/57/538866257.db2.gz	YFTKBIDUWGOXTA-UHFFFAOYSA-N	1	0	355.398	1.634	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccc(CNc3nc(C)cc(C#N)n3)cc2)CC1	ZINC000561118538	545694892	/nfs/dbraw/zinc/69/48/92/545694892.db2.gz	DENJENFOTDAGPS-UHFFFAOYSA-N	1	0	350.470	2.406	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2C[C@@H](OCC)C2(C)C)CC1	ZINC000561414719	545838926	/nfs/dbraw/zinc/83/89/26/545838926.db2.gz	MOMUIIUKORYLFK-JKSUJKDBSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=CC[C@@H]1N(C(=O)C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CCCC1(C)C	ZINC000561452274	545857863	/nfs/dbraw/zinc/85/78/63/545857863.db2.gz	QRMWHFGUEFAWFK-CVEARBPZSA-N	1	0	351.491	1.417	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)NCC(=O)NCC[NH+]1CCCCCC1	ZINC000562411312	546129578	/nfs/dbraw/zinc/12/95/78/546129578.db2.gz	AHIGWURAYDWBSY-UHFFFAOYSA-N	1	0	357.458	1.980	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H](SCC)C2)CC1	ZINC000562869029	546301314	/nfs/dbraw/zinc/30/13/14/546301314.db2.gz	FATIFBADFUPLPV-MRXNPFEDSA-N	1	0	353.532	1.887	20	30		FDEDRO
Cc1cc(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc(C)c1O	ZINC000563003452	546350053	/nfs/dbraw/zinc/35/00/53/546350053.db2.gz	SMQFMPDHZJUXPH-UHFFFAOYSA-N	1	0	359.451	1.882	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1	ZINC000563057373	546375726	/nfs/dbraw/zinc/37/57/26/546375726.db2.gz	SLPMXEYSDZERTA-IRXDYDNUSA-N	1	0	364.877	1.851	20	30		FDEDRO
CCCC[N@H+](C)CC1CCN(C(=O)C(=O)Nc2cccc(C#N)n2)CC1	ZINC000563095277	546401632	/nfs/dbraw/zinc/40/16/32/546401632.db2.gz	OFLMKEIYESBKMA-UHFFFAOYSA-N	1	0	357.458	1.862	20	30		FDEDRO
N#Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)n1	ZINC000563099824	546402556	/nfs/dbraw/zinc/40/25/56/546402556.db2.gz	UCDYXXSGPIRFJH-FUHWJXTLSA-N	1	0	365.437	1.958	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)NCc1ccc(CC#N)cc1)[N@@H+]1CCC[C@H](C)C1	ZINC000564084260	546801743	/nfs/dbraw/zinc/80/17/43/546801743.db2.gz	SWRHPPVAFXSSNH-JKSUJKDBSA-N	1	0	356.470	1.605	20	30		FDEDRO
CN(CCC#N)C[C@H](O)CNc1ccc(CC[NH+]2CCSCC2)cc1	ZINC000564863618	547071873	/nfs/dbraw/zinc/07/18/73/547071873.db2.gz	MKNMVSLUAJLFTJ-LJQANCHMSA-N	1	0	362.543	1.896	20	30		FDEDRO
C[N@H+](CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H]1CCSC1	ZINC000565153911	547223018	/nfs/dbraw/zinc/22/30/18/547223018.db2.gz	DSFFJCRGRHJEMR-DLBZAZTESA-N	1	0	372.494	1.213	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)ncc1C#N	ZINC000565178929	547237216	/nfs/dbraw/zinc/23/72/16/547237216.db2.gz	KQSMQWKNIAYRFA-INIZCTEOSA-N	1	0	369.400	1.758	20	30		FDEDRO
C=CCN1C(=O)C(=O)N(CC(=O)Nc2c[nH+]ccc2NC(CC)CC)C1=O	ZINC000565197075	547249235	/nfs/dbraw/zinc/24/92/35/547249235.db2.gz	VYSVUFGPYKGHGN-UHFFFAOYSA-N	1	0	373.413	1.019	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(CC#N)cc2)CC1	ZINC000565773803	547476062	/nfs/dbraw/zinc/47/60/62/547476062.db2.gz	BMFMRLYLVCWQCO-UHFFFAOYSA-N	1	0	354.454	1.526	20	30		FDEDRO
CC(=O)Nc1ccc(C[NH+]2CCC(Nc3ccnc(C#N)n3)CC2)cc1	ZINC000565961060	547549444	/nfs/dbraw/zinc/54/94/44/547549444.db2.gz	JGWRXNNDJCPQJG-UHFFFAOYSA-N	1	0	350.426	1.805	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1	ZINC000566407868	547744053	/nfs/dbraw/zinc/74/40/53/547744053.db2.gz	WNQZGFMKXZYCKA-CJNGLKHVSA-N	1	0	354.414	1.239	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1	ZINC000566508047	547787479	/nfs/dbraw/zinc/78/74/79/547787479.db2.gz	FPRHFQGBAYNLDS-CVEARBPZSA-N	1	0	352.479	1.010	20	30		FDEDRO
COc1cc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)ccc1OCCO	ZINC000566514939	547790178	/nfs/dbraw/zinc/79/01/78/547790178.db2.gz	BRHDUDQGYXUQOD-UHFFFAOYSA-N	1	0	353.382	1.270	20	30		FDEDRO
C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)Nc2cccc(C#N)n2)CC1	ZINC000566736733	547868413	/nfs/dbraw/zinc/86/84/13/547868413.db2.gz	LRVQSXHCGLKZEC-HOTGVXAUSA-N	1	0	356.474	1.976	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(C)CCOCc1ccc(C#N)cc1	ZINC000566877334	547916637	/nfs/dbraw/zinc/91/66/37/547916637.db2.gz	HNILOLAKBAHIAX-KRWDZBQOSA-N	1	0	373.501	1.352	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNC(=O)NCCc2cccc(C#N)c2)ccn1	ZINC000566881002	547916868	/nfs/dbraw/zinc/91/68/68/547916868.db2.gz	JXSPGFSBWLDCBC-UHFFFAOYSA-N	1	0	367.453	1.936	20	30		FDEDRO
CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000566962907	547944787	/nfs/dbraw/zinc/94/47/87/547944787.db2.gz	SDUZITKZORHNRK-JKSUJKDBSA-N	1	0	357.458	1.894	20	30		FDEDRO
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC([N@@H+]2CCOC[C@@H]2C)CC1	ZINC000567062440	547982862	/nfs/dbraw/zinc/98/28/62/547982862.db2.gz	OIFSCCCOHCDYAO-HNAYVOBHSA-N	1	0	357.454	1.957	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1	ZINC000567268629	548058759	/nfs/dbraw/zinc/05/87/59/548058759.db2.gz	LXUCUZXNCYVKDS-UHFFFAOYSA-N	1	0	368.481	1.846	20	30		FDEDRO
CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000567353037	548088930	/nfs/dbraw/zinc/08/89/30/548088930.db2.gz	YCENOTOWANAIMH-ZBFHGGJFSA-N	1	0	354.472	1.080	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)C(=O)N1CCCC[C@H]1C	ZINC000567605793	548178980	/nfs/dbraw/zinc/17/89/80/548178980.db2.gz	FPYBJBSVJQXQGD-SOLBZPMBSA-N	1	0	359.470	1.871	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2=O)cc1	ZINC000567694132	548217433	/nfs/dbraw/zinc/21/74/33/548217433.db2.gz	JKLZEHPSLZBJRV-HKUYNNGSSA-N	1	0	369.396	1.832	20	30		FDEDRO
C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)Cc1ccc(CC#N)cc1	ZINC000567781328	548256862	/nfs/dbraw/zinc/25/68/62/548256862.db2.gz	BSPDKUXGSCXWOG-MRXNPFEDSA-N	1	0	364.515	1.198	20	30		FDEDRO
CO[C@@H]1COC[C@H]1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000567812010	548270699	/nfs/dbraw/zinc/27/06/99/548270699.db2.gz	APKSCAFNERWDOE-HUUCEWRRSA-N	1	0	356.344	1.177	20	30		FDEDRO
CS(=O)(=O)CC1(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CCC1	ZINC000568740291	548660129	/nfs/dbraw/zinc/66/01/29/548660129.db2.gz	DWFYRIWKCIKMRN-OAHLLOKOSA-N	1	0	352.456	1.102	20	30		FDEDRO
C[S@@](=O)Cc1ccc(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)cc1	ZINC000568874231	548714601	/nfs/dbraw/zinc/71/46/01/548714601.db2.gz	VFMINENETRUHSB-IQGLISFBSA-N	1	0	358.463	1.966	20	30		FDEDRO
C[C@H]1COCCN1C1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1	ZINC000569623452	548986898	/nfs/dbraw/zinc/98/68/98/548986898.db2.gz	RFRCJCCCTRVSSP-HNNXBMFYSA-N	1	0	363.483	1.573	20	30		FDEDRO
Cn1cc(N2CCC[C@@H]([NH2+]C[C@@H](O)COc3ccc(CC#N)cc3)C2)cn1	ZINC000569803987	549052777	/nfs/dbraw/zinc/05/27/77/549052777.db2.gz	HMMDVFAEWQJAHN-IEBWSBKVSA-N	1	0	369.469	1.484	20	30		FDEDRO
C=CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1	ZINC000570130322	549168141	/nfs/dbraw/zinc/16/81/41/549168141.db2.gz	OJPWPUMHNCJVFN-IAGOWNOFSA-N	1	0	360.506	1.184	20	30		FDEDRO
C=CCn1c([C@H]2CCOC2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1	ZINC000570130325	549168459	/nfs/dbraw/zinc/16/84/59/549168459.db2.gz	OJPWPUMHNCJVFN-IRXDYDNUSA-N	1	0	360.506	1.184	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC(C)(C)C[NH+]1CCCC1	ZINC000570138125	549170010	/nfs/dbraw/zinc/17/00/10/549170010.db2.gz	GBRAQALIPFPLBF-UHFFFAOYSA-N	1	0	367.457	2.443	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)NCc3ccc(C[NH3+])cc3)CC2)c1C#N	ZINC000570512764	549306786	/nfs/dbraw/zinc/30/67/86/549306786.db2.gz	PWSRUOGMUKKUEO-UHFFFAOYSA-N	1	0	367.457	1.091	20	30		FDEDRO
C[C@@H]1CN(C[C@H](O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)C[C@@H](C)O1	ZINC000570536757	549316099	/nfs/dbraw/zinc/31/60/99/549316099.db2.gz	FPTCOCHJQURPKJ-ZHALLVOQSA-N	1	0	373.497	1.872	20	30		FDEDRO
C=CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000570731682	549391357	/nfs/dbraw/zinc/39/13/57/549391357.db2.gz	ZOCMWZLYXXXKIT-IAGOWNOFSA-N	1	0	361.490	1.517	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@H]3CC[N@@H+](C4CC4)C3)C2=O)cc1	ZINC000571069567	549514880	/nfs/dbraw/zinc/51/48/80/549514880.db2.gz	BKNWUHZNNSQKDV-FUHWJXTLSA-N	1	0	367.453	1.195	20	30		FDEDRO
N#Cc1cc(NC(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)ccc1F	ZINC000571146578	549541222	/nfs/dbraw/zinc/54/12/22/549541222.db2.gz	LRXVJWQHHVONDP-SUMWQHHRSA-N	1	0	373.432	1.809	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1C(F)(F)F	ZINC000571325784	549606583	/nfs/dbraw/zinc/60/65/83/549606583.db2.gz	ULERAXCPYVMUBA-NSHDSACASA-N	1	0	369.315	1.853	20	30		FDEDRO
CSc1ccc([C@H](CNC(=O)CNc2ccc(C#N)cn2)[NH+](C)C)cc1	ZINC000571834783	549776911	/nfs/dbraw/zinc/77/69/11/549776911.db2.gz	DAMKERDAFMLTIJ-KRWDZBQOSA-N	1	0	369.494	2.506	20	30		FDEDRO
C=C(C)[C@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1ccc(F)c(F)c1	ZINC000572303989	549886232	/nfs/dbraw/zinc/88/62/32/549886232.db2.gz	BJSLAUSAMVRNMK-WQVCFCJDSA-N	1	0	364.396	1.535	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2cnc3c(C#N)cnn3c2)CC1	ZINC000572405512	549907447	/nfs/dbraw/zinc/90/74/47/549907447.db2.gz	UGTJICDOQRKCKB-CALCHBBNSA-N	1	0	367.501	1.591	20	30		FDEDRO
COc1cc(CNC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)ccc1C#N	ZINC000572586345	549948342	/nfs/dbraw/zinc/94/83/42/549948342.db2.gz	MFTCKNYMOMNBTB-AEFFLSMTSA-N	1	0	358.442	1.605	20	30		FDEDRO
N#CCCC[C@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccccc1	ZINC000572736954	549983976	/nfs/dbraw/zinc/98/39/76/549983976.db2.gz	LDQKGEXODFZXBC-BBWFWOEESA-N	1	0	355.442	1.375	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c(F)c1	ZINC000572813228	549999269	/nfs/dbraw/zinc/99/92/69/549999269.db2.gz	IDWAQWKKLSPBAK-HNNXBMFYSA-N	1	0	351.447	1.945	20	30		FDEDRO
C=CCc1cc(CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])cc(OC)c1OC	ZINC000573001176	550043434	/nfs/dbraw/zinc/04/34/34/550043434.db2.gz	GSWIEUAVYHZUOV-QWHCGFSZSA-N	1	0	363.458	1.291	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2	ZINC000573013900	550045490	/nfs/dbraw/zinc/04/54/90/550045490.db2.gz	KNIOLAADGVILBP-AWEZNQCLSA-N	1	0	352.394	1.795	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1	ZINC000573477103	550147410	/nfs/dbraw/zinc/14/74/10/550147410.db2.gz	DSTCXXLJOMTKGF-RYRKJORJSA-N	1	0	364.877	1.408	20	30		FDEDRO
CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)CC2(C#N)CCCCC2)CC1	ZINC000573655267	550185242	/nfs/dbraw/zinc/18/52/42/550185242.db2.gz	HOCKWGBUANPKKP-UHFFFAOYSA-N	1	0	370.563	1.796	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H](CO)c2ccc(F)cc2)cc1	ZINC000574453629	550316484	/nfs/dbraw/zinc/31/64/84/550316484.db2.gz	VHFBGLJVYNKCHZ-MRXNPFEDSA-N	1	0	362.426	1.837	20	30		FDEDRO
C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000574691963	550355370	/nfs/dbraw/zinc/35/53/70/550355370.db2.gz	YPYVPDLIUBTEHG-VHSXEESVSA-N	1	0	372.347	1.680	20	30		FDEDRO
CCN1CCN(C(=O)[C@@H](C)[N@H+](C)CCOCc2ccc(C#N)cc2)CC1	ZINC000574788516	550371040	/nfs/dbraw/zinc/37/10/40/550371040.db2.gz	FVFORSLVEZSSQN-QGZVFWFLSA-N	1	0	358.486	1.559	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)n1	ZINC000575775347	550474894	/nfs/dbraw/zinc/47/48/94/550474894.db2.gz	DVRAURKUAMFXIR-BETUJISGSA-N	1	0	354.389	2.241	20	30		FDEDRO
CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)[C@@H](C)C1	ZINC000576291502	550532720	/nfs/dbraw/zinc/53/27/20/550532720.db2.gz	JZKPWPMGGXVSQG-OKILXGFUSA-N	1	0	352.442	1.881	20	30		FDEDRO
N#CCSc1ccccc1NC(=O)Cn1cnc2c(c1=O)CC[NH2+]CC2	ZINC000576514774	550557600	/nfs/dbraw/zinc/55/76/00/550557600.db2.gz	AKCYCCCXYBQGKS-UHFFFAOYSA-N	1	0	369.450	1.186	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)NC[C@H]3[NH2+]CCCC3(C)C)CC2)c1C#N	ZINC000576730368	550579787	/nfs/dbraw/zinc/57/97/87/550579787.db2.gz	KBQIZSIEGCWLTL-MRXNPFEDSA-N	1	0	373.505	1.210	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1	ZINC000576902439	550598560	/nfs/dbraw/zinc/59/85/60/550598560.db2.gz	ALAHDXGKOUJUQG-ROUUACIJSA-N	1	0	365.518	1.808	20	30		FDEDRO
N#Cc1ccc(NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)cc1F	ZINC000577155531	550625838	/nfs/dbraw/zinc/62/58/38/550625838.db2.gz	RYHSCBMMJFSZNJ-UHFFFAOYSA-N	1	0	361.421	1.811	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(CC#N)cc2)C[C@H]1C	ZINC000577395786	550652160	/nfs/dbraw/zinc/65/21/60/550652160.db2.gz	URQLNFGLDJEDDI-QAPCUYQASA-N	1	0	356.470	1.700	20	30		FDEDRO
CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C	ZINC000577581532	550671361	/nfs/dbraw/zinc/67/13/61/550671361.db2.gz	FNFRNZYJDFADBH-INIZCTEOSA-N	1	0	367.457	2.395	20	30		FDEDRO
COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1	ZINC000577851029	550701924	/nfs/dbraw/zinc/70/19/24/550701924.db2.gz	XWJTWXWPBXZILA-FQEVSTJZSA-N	1	0	361.405	1.918	20	30		FDEDRO
CC[NH+]1CCC(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1	ZINC000578287257	550748189	/nfs/dbraw/zinc/74/81/89/550748189.db2.gz	WHWXOTBNSZCHPB-UHFFFAOYSA-N	1	0	352.416	1.477	20	30		FDEDRO
CCOc1ccccc1CC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000578435767	550763147	/nfs/dbraw/zinc/76/31/47/550763147.db2.gz	PZPQNRSSFNNNHV-UHFFFAOYSA-N	1	0	359.451	1.958	20	30		FDEDRO
C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)[C@H](C)N1CCOCC1	ZINC000578498990	550770078	/nfs/dbraw/zinc/77/00/78/550770078.db2.gz	ANSXCKXMUJILGT-GJZGRUSLSA-N	1	0	351.472	1.031	20	30		FDEDRO
N#CCC1CCN(C(=O)C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)CC1	ZINC000578638193	550785633	/nfs/dbraw/zinc/78/56/33/550785633.db2.gz	GQFNCKARXJFKKA-ZWKOTPCHSA-N	1	0	372.444	1.621	20	30		FDEDRO
C[C@H](NC(=O)c1cccc(C#N)c1Br)C(=O)NCC[NH+](C)C	ZINC000578764657	550799608	/nfs/dbraw/zinc/79/96/08/550799608.db2.gz	PKOFGNUIZYHARJ-JTQLQIEISA-N	1	0	367.247	1.117	20	30		FDEDRO
C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CCc3ccc(C#N)cc32)cc1	ZINC000578772470	550800602	/nfs/dbraw/zinc/80/06/02/550800602.db2.gz	HFXJDGSWJGUORG-UHFFFAOYSA-N	1	0	362.433	1.825	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000578838152	550806465	/nfs/dbraw/zinc/80/64/65/550806465.db2.gz	LKIYVZWFQHEAAV-QYZOEREBSA-N	1	0	358.486	1.618	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N(C)C[C@H]1CCC[N@@H+]1C	ZINC000578874966	550810985	/nfs/dbraw/zinc/81/09/85/550810985.db2.gz	HDHAMDSFQBPKFQ-OAHLLOKOSA-N	1	0	353.430	2.005	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1	ZINC000578906750	550814537	/nfs/dbraw/zinc/81/45/37/550814537.db2.gz	SIDBCRZATVUSHM-AEFFLSMTSA-N	1	0	364.515	1.571	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000579028341	550827794	/nfs/dbraw/zinc/82/77/94/550827794.db2.gz	ZYTWYZOHQAMZSU-CVEARBPZSA-N	1	0	371.489	1.443	20	30		FDEDRO
C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCc1ccc(CC#N)cc1	ZINC000579107844	550836255	/nfs/dbraw/zinc/83/62/55/550836255.db2.gz	GLRPEMCGTJCLEB-IXDOHACOSA-N	1	0	370.497	1.851	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1	ZINC000579710091	550902339	/nfs/dbraw/zinc/90/23/39/550902339.db2.gz	AHLJNKDGMCMJKG-YQVWRLOYSA-N	1	0	360.454	1.455	20	30		FDEDRO
Cc1cc(=O)n2nc(C[N@H+](C)CCOCc3ccc(C#N)cc3)sc2n1	ZINC000579885503	550920213	/nfs/dbraw/zinc/92/02/13/550920213.db2.gz	XEHMHRUXSKOHIC-UHFFFAOYSA-N	1	0	369.450	1.980	20	30		FDEDRO
N#CCc1ccc(CS(=O)(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cc1	ZINC000580558910	550994916	/nfs/dbraw/zinc/99/49/16/550994916.db2.gz	SBPDCMVZZLKQQF-QGZVFWFLSA-N	1	0	351.472	1.019	20	30		FDEDRO
C[NH2+]CCCC(=O)N1CCC(NC(=O)NCCc2cccc(C#N)c2)CC1	ZINC000580658918	551005706	/nfs/dbraw/zinc/00/57/06/551005706.db2.gz	GOTZALSYGDMARJ-UHFFFAOYSA-N	1	0	371.485	1.391	20	30		FDEDRO
Cn1nc2c(c1C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1)CCCC2	ZINC000580948348	551036156	/nfs/dbraw/zinc/03/61/56/551036156.db2.gz	UJNNNAZKSZUUTF-INIZCTEOSA-N	1	0	354.454	1.894	20	30		FDEDRO
N#Cc1cccnc1OC1CCC(NC(=O)NC[C@H]2C[NH2+]CCCO2)CC1	ZINC000581478380	551092931	/nfs/dbraw/zinc/09/29/31/551092931.db2.gz	IMRKPYMPRPTTRV-OFLPRAFFSA-N	1	0	373.457	1.321	20	30		FDEDRO
COc1ccc(C2(C[NH2+]C[C@@H](O)CN(C)CCC#N)CCOCC2)cc1	ZINC000581713646	551126059	/nfs/dbraw/zinc/12/60/59/551126059.db2.gz	ZJNVUPWNSHTHKW-GOSISDBHSA-N	1	0	361.486	1.539	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N3C[C@@H](C)[C@](C)(C[NH3+])C3)CC2)c1C#N	ZINC000581933747	551151670	/nfs/dbraw/zinc/15/16/70/551151670.db2.gz	GBXHGMMWICZUFS-SJKOYZFVSA-N	1	0	362.503	1.482	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](Oc3ccncc3)C2)CC1	ZINC000582139440	551181768	/nfs/dbraw/zinc/18/17/68/551181768.db2.gz	KMJMHOPTXNYELA-GOSISDBHSA-N	1	0	372.469	1.218	20	30		FDEDRO
CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCN(c2cnccc2C#N)CC1	ZINC000582336680	551208885	/nfs/dbraw/zinc/20/88/85/551208885.db2.gz	PYNZTLXPCBSYBB-INIZCTEOSA-N	1	0	358.490	1.905	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1	ZINC000582356159	551212107	/nfs/dbraw/zinc/21/21/07/551212107.db2.gz	YUWMFUVUJPGXEC-OALUTQOASA-N	1	0	354.454	1.386	20	30		FDEDRO
CC(C)c1noc(CCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)n1	ZINC000582415593	551220930	/nfs/dbraw/zinc/22/09/30/551220930.db2.gz	CHAAHTQBVHWNNF-UHFFFAOYSA-N	1	0	363.443	1.456	20	30		FDEDRO
CCS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)cc1	ZINC000582780687	551266311	/nfs/dbraw/zinc/26/63/11/551266311.db2.gz	BVEHNCOOWUTQDE-QGZVFWFLSA-N	1	0	374.462	1.881	20	30		FDEDRO
C[C@@H](C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[NH+]1CC(C)C1	ZINC000583041633	551295212	/nfs/dbraw/zinc/29/52/12/551295212.db2.gz	LUIOJCOSFLZYTR-AWEZNQCLSA-N	1	0	369.425	1.795	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)NCC3=CC[NH2+]CC3)C2)c(F)c1	ZINC000583073165	551299448	/nfs/dbraw/zinc/29/94/48/551299448.db2.gz	HWIRMIUTKAOVTQ-MRXNPFEDSA-N	1	0	357.433	1.885	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1	ZINC000583259411	551326477	/nfs/dbraw/zinc/32/64/77/551326477.db2.gz	YVUBDQYADHATKC-PBHICJAKSA-N	1	0	370.453	1.137	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2ccc(C#N)cc2OC)CC1	ZINC000583474387	551356594	/nfs/dbraw/zinc/35/65/94/551356594.db2.gz	DZQXPBKEMYDPAO-HNNXBMFYSA-N	1	0	359.474	1.962	20	30		FDEDRO
CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000583626570	551378681	/nfs/dbraw/zinc/37/86/81/551378681.db2.gz	WYYMLDXPPBXUNP-FGTMMUONSA-N	1	0	359.470	1.971	20	30		FDEDRO
C=CCn1c([C@@H]2COCCO2)nnc1N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1	ZINC000583675609	551385238	/nfs/dbraw/zinc/38/52/38/551385238.db2.gz	GMCIQWOFJIJHAY-HZMVEIRTSA-N	1	0	361.490	1.719	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCc2nc(CC)nn2C1	ZINC000584072122	551442900	/nfs/dbraw/zinc/44/29/00/551442900.db2.gz	SSNOLFWJIUVFSR-DLBZAZTESA-N	1	0	356.470	1.913	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)C(=O)N3CCC[C@@H](C[NH3+])C3)CC2)cc1	ZINC000584714958	551534737	/nfs/dbraw/zinc/53/47/37/551534737.db2.gz	UZOWSKYIDUTQRF-INIZCTEOSA-N	1	0	370.453	1.125	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N1CCC[C@H]([NH+]2CCOCC2)CC1	ZINC000585718609	551587168	/nfs/dbraw/zinc/58/71/68/551587168.db2.gz	ONMQNUKIFFRXOB-OALUTQOASA-N	1	0	357.454	1.959	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)c1cccc(C#N)c1	ZINC000585725057	551587757	/nfs/dbraw/zinc/58/77/57/551587757.db2.gz	YWIWWLCPYMAXCI-CQSZACIVSA-N	1	0	354.454	1.726	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c(F)c1	ZINC000586863899	551627571	/nfs/dbraw/zinc/62/75/71/551627571.db2.gz	DAASLSZWROZPQM-KRWDZBQOSA-N	1	0	372.444	1.790	20	30		FDEDRO
CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCc1ccc(C#N)cc1F	ZINC000586864222	551628059	/nfs/dbraw/zinc/62/80/59/551628059.db2.gz	OHNQNMSUTVQYHM-MRXNPFEDSA-N	1	0	360.433	1.646	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(C#N)c1	ZINC000587665303	551633316	/nfs/dbraw/zinc/63/33/16/551633316.db2.gz	MZFBRFKLMFIFEO-TZUVLKIQSA-N	1	0	354.454	1.867	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)c1cccc(C#N)c1	ZINC000587702810	551634200	/nfs/dbraw/zinc/63/42/00/551634200.db2.gz	IXSLQJYJPMNAMD-HNNXBMFYSA-N	1	0	372.469	1.305	20	30		FDEDRO
CC(=O)NCC[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000588215959	551659255	/nfs/dbraw/zinc/65/92/55/551659255.db2.gz	ZBCUCJANRKHCJH-OALUTQOASA-N	1	0	359.470	1.731	20	30		FDEDRO
COc1ccc([C@@H](C[NH+](C)C)NC(=O)NC2CCN(CC#N)CC2)cc1	ZINC000588341403	551667881	/nfs/dbraw/zinc/66/78/81/551667881.db2.gz	KWPXKQVWVDWWFY-GOSISDBHSA-N	1	0	359.474	1.585	20	30		FDEDRO
C[C@H](c1ccccc1)[C@H](CO)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000588967444	551701480	/nfs/dbraw/zinc/70/14/80/551701480.db2.gz	SCNGYUVQUBZZJN-PBHICJAKSA-N	1	0	359.451	1.481	20	30		FDEDRO
N#Cc1cccc(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)n1	ZINC000589369008	551725993	/nfs/dbraw/zinc/72/59/93/551725993.db2.gz	QOUXBVWCNRSNID-HNNXBMFYSA-N	1	0	363.421	1.903	20	30		FDEDRO
COc1cc(CNC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)ccc1C#N	ZINC000589712028	551744302	/nfs/dbraw/zinc/74/43/02/551744302.db2.gz	SXNJKNXHJCQYLX-GOSISDBHSA-N	1	0	371.485	1.488	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1	ZINC000589858844	551748382	/nfs/dbraw/zinc/74/83/82/551748382.db2.gz	YWSFYUXIZOWIOS-IAGOWNOFSA-N	1	0	354.458	1.412	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1ccn(-c2cccc(C#N)c2)n1	ZINC000590402394	551780905	/nfs/dbraw/zinc/78/09/05/551780905.db2.gz	STQUGOOZPWBUFW-OALUTQOASA-N	1	0	365.437	1.679	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](N3CCOCC3)C2)cc1	ZINC000590610810	551798974	/nfs/dbraw/zinc/79/89/74/551798974.db2.gz	CMRRNDUMZVJQCK-MOPGFXCFSA-N	1	0	359.470	1.289	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCSC[C@H]2C2CC2)CC1	ZINC000590758741	551813205	/nfs/dbraw/zinc/81/32/05/551813205.db2.gz	NGUYJLDHMFUPQF-IRXDYDNUSA-N	1	0	350.532	1.506	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[NH+](C)C	ZINC000590792646	551817545	/nfs/dbraw/zinc/81/75/45/551817545.db2.gz	XNSANFBNZAKMFA-ZDUSSCGKSA-N	1	0	367.409	1.750	20	30		FDEDRO
CN1CC[NH+](CCCCNC(=O)Nc2cnc(C#N)c(Cl)c2)CC1	ZINC000590844839	551821968	/nfs/dbraw/zinc/82/19/68/551821968.db2.gz	DXMYNYVTAHOWHP-UHFFFAOYSA-N	1	0	350.854	1.756	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H]3CCCNC3=O)CC2)cc1	ZINC000590950493	551829055	/nfs/dbraw/zinc/82/90/55/551829055.db2.gz	SCOPGYPWZWBZGA-GOSISDBHSA-N	1	0	369.469	1.302	20	30		FDEDRO
COC(=O)[C@@H]1CN(C(=O)c2cc3ccccc3n2CC#N)CC[N@H+](C)C1	ZINC000591225179	551851913	/nfs/dbraw/zinc/85/19/13/551851913.db2.gz	ZPGNLBKSOCKJGT-HNNXBMFYSA-N	1	0	354.410	1.342	20	30		FDEDRO
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC(=O)N1CC[NH2+]CC1	ZINC000591286300	551856139	/nfs/dbraw/zinc/85/61/39/551856139.db2.gz	HZNSCNZCZPBRJW-ZDUSSCGKSA-N	1	0	361.471	1.634	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)ccc1OC(F)(F)F	ZINC000591292328	551857214	/nfs/dbraw/zinc/85/72/14/551857214.db2.gz	KOMRJIPSLZKRDU-LBPRGKRZSA-N	1	0	370.331	1.654	20	30		FDEDRO
N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)cn2)c1	ZINC000591294629	551857430	/nfs/dbraw/zinc/85/74/30/551857430.db2.gz	WPYCZNQYWOCOGT-AWEZNQCLSA-N	1	0	365.393	1.552	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1C(F)(F)F	ZINC000591304638	551859482	/nfs/dbraw/zinc/85/94/82/551859482.db2.gz	LRXAEXDNVFUNHX-IINYFYTJSA-N	1	0	366.343	1.726	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccc1F	ZINC000591308391	551860042	/nfs/dbraw/zinc/86/00/42/551860042.db2.gz	NDBSIWQZANVJDL-UONOGXRCSA-N	1	0	358.417	1.874	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1	ZINC000591308499	551860358	/nfs/dbraw/zinc/86/03/58/551860358.db2.gz	ZHZILXVINRLPRM-SJORKVTESA-N	1	0	354.454	1.929	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)NCC3([NH3+])CCCCC3)CC2)nc1	ZINC000591350586	551864894	/nfs/dbraw/zinc/86/48/94/551864894.db2.gz	RUASPBFKWXRWES-UHFFFAOYSA-N	1	0	356.474	1.883	20	30		FDEDRO
C[C@]1(CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCC[NH2+]C1	ZINC000591350548	551864943	/nfs/dbraw/zinc/86/49/43/551864943.db2.gz	MYVOQWDMJAXRPP-IBGZPJMESA-N	1	0	356.474	1.611	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N[C@H]3CCCC[C@@H]3C[NH3+])CC2)nc1	ZINC000591350626	551865039	/nfs/dbraw/zinc/86/50/39/551865039.db2.gz	ZMJRGTKQLQOWLA-WBVHZDCISA-N	1	0	356.474	1.739	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@@H]2CCC[NH2+]CC2)CC1	ZINC000591360409	551866164	/nfs/dbraw/zinc/86/61/64/551866164.db2.gz	RXPQWZBAMAELLN-CQSZACIVSA-N	1	0	358.446	1.397	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N2CCN(C[C@H]3CCCO3)CC2)cc1	ZINC000591497268	551875211	/nfs/dbraw/zinc/87/52/11/551875211.db2.gz	DEHMSZWOSRQYQO-GOSISDBHSA-N	1	0	372.469	1.931	20	30		FDEDRO
CNC(=O)c1cccc(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)c1	ZINC000591725234	551903449	/nfs/dbraw/zinc/90/34/49/551903449.db2.gz	LARDODJIAIGFPI-GOSISDBHSA-N	1	0	353.422	1.642	20	30		FDEDRO
Cc1nc(C)c(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)s1	ZINC000591735423	551904913	/nfs/dbraw/zinc/90/49/13/551904913.db2.gz	ZIGCZNUZUGHUJB-UHFFFAOYSA-N	1	0	350.469	1.633	20	30		FDEDRO
Cc1cccn2cc(CC[NH2+]CCS(=O)(=O)c3ccc(C#N)cn3)nc12	ZINC000591748311	551905521	/nfs/dbraw/zinc/90/55/21/551905521.db2.gz	LDMFUCKTHMPYJJ-UHFFFAOYSA-N	1	0	369.450	1.515	20	30		FDEDRO
Cn1ccnc1[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CCO1	ZINC000591771111	551907595	/nfs/dbraw/zinc/90/75/95/551907595.db2.gz	HBDLAVQQOLQKJH-JZXOWHBKSA-N	1	0	356.426	1.541	20	30		FDEDRO
CC(C)[C@@H]1C[C@@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CCO1	ZINC000591770522	551907616	/nfs/dbraw/zinc/90/76/16/551907616.db2.gz	FWOPRSHGJWCVHZ-HOCLYGCPSA-N	1	0	351.472	1.768	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)C1CC[NH+](C)CC1	ZINC000591885526	551913431	/nfs/dbraw/zinc/91/34/31/551913431.db2.gz	MNKXZSWUTFHCBL-CABCVRRESA-N	1	0	356.470	1.924	20	30		FDEDRO
COc1cccc([C@@H](CNC(=O)N2CC[C@@](O)(CC#N)C2)[NH+]2CCCC2)c1	ZINC000591896499	551914268	/nfs/dbraw/zinc/91/42/68/551914268.db2.gz	MWCKHUWQOGYADR-QUCCMNQESA-N	1	0	372.469	1.892	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](Nc3nc(N)[nH+]c4c3CCCC4)C2=O)cc1	ZINC000591929848	551917686	/nfs/dbraw/zinc/91/76/86/551917686.db2.gz	YLDWYIOHUNBWQR-KRWDZBQOSA-N	1	0	362.437	1.839	20	30		FDEDRO
N#CCc1ccc(CS(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1	ZINC000592030897	551929170	/nfs/dbraw/zinc/92/91/70/551929170.db2.gz	MQPNPTYUCCOLBB-QGZVFWFLSA-N	1	0	351.472	1.019	20	30		FDEDRO
C[N@H+]1C[C@@H](c2ccccc2)[C@H](CNS(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000592089510	551939280	/nfs/dbraw/zinc/93/92/80/551939280.db2.gz	WMVQZFFJRPVQCR-QAPCUYQASA-N	1	0	356.451	1.577	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C(=O)NCc2ccccc2)C1	ZINC000592154847	551951009	/nfs/dbraw/zinc/95/10/09/551951009.db2.gz	KGTBHFVJZZTVKG-HOCLYGCPSA-N	1	0	358.442	1.025	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C(C)C)N2CCOCC2)CC1	ZINC000592294014	551973877	/nfs/dbraw/zinc/97/38/77/551973877.db2.gz	RKXVHDLDDWLKDD-GOSISDBHSA-N	1	0	352.523	1.683	20	30		FDEDRO
C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)N3CC[C@@](O)(CC#N)C3)ccc21	ZINC000592299446	551974498	/nfs/dbraw/zinc/97/44/98/551974498.db2.gz	JHQYOIZOFXJVJP-LPHOPBHVSA-N	1	0	356.426	1.051	20	30		FDEDRO
CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCc1ccc(CC#N)cc1	ZINC000592336597	551981804	/nfs/dbraw/zinc/98/18/04/551981804.db2.gz	VFSCDXWTBSZJDP-IBGZPJMESA-N	1	0	370.497	1.996	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1Br	ZINC000592381464	551986474	/nfs/dbraw/zinc/98/64/74/551986474.db2.gz	ORFBUHBDWUPBJH-YGRLFVJLSA-N	1	0	370.272	1.693	20	30		FDEDRO
C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	ZINC000592428399	551993946	/nfs/dbraw/zinc/99/39/46/551993946.db2.gz	IELDXYKFJDZASO-OLZOCXBDSA-N	1	0	367.409	1.926	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](CO)Cc2ccc(F)cc2)cc1	ZINC000592431580	551994513	/nfs/dbraw/zinc/99/45/13/551994513.db2.gz	LECWEJVABCPZCT-KRWDZBQOSA-N	1	0	362.426	1.664	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+])c1ccc(C#N)cc1	ZINC000592442834	551996207	/nfs/dbraw/zinc/99/62/07/551996207.db2.gz	USHMBZKESISIAE-AUUYWEPGSA-N	1	0	362.433	1.820	20	30		FDEDRO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CSCc1ccc(C#N)cc1	ZINC000592878975	552038133	/nfs/dbraw/zinc/03/81/33/552038133.db2.gz	JLOWPJYLGYASAI-AWEZNQCLSA-N	1	0	360.483	1.370	20	30		FDEDRO
COC(=O)[C@@H]1C[N@@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@H]1C1CC1	ZINC000593000722	552052236	/nfs/dbraw/zinc/05/22/36/552052236.db2.gz	SPJATLWVMQJBFW-GVDBMIGSSA-N	1	0	367.405	1.321	20	30		FDEDRO
C[NH+](C)CCN1CCN(C(=O)c2cc3ccccc3n2CC#N)CC1=O	ZINC000593234672	552075374	/nfs/dbraw/zinc/07/53/74/552075374.db2.gz	MBYKFYCHRUYHEL-UHFFFAOYSA-N	1	0	353.426	1.011	20	30		FDEDRO
COCCOCCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593312291	552087637	/nfs/dbraw/zinc/08/76/37/552087637.db2.gz	UCFNIDFMJHTVEA-UHFFFAOYSA-N	1	0	360.458	1.485	20	30		FDEDRO
C=CCn1cc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)nn1	ZINC000593346930	552093338	/nfs/dbraw/zinc/09/33/38/552093338.db2.gz	ACKRWWSCJMMEJU-UHFFFAOYSA-N	1	0	350.426	1.730	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593348331	552093794	/nfs/dbraw/zinc/09/37/94/552093794.db2.gz	LKRGKZKGOBTEPF-ZWKOTPCHSA-N	1	0	354.454	1.363	20	30		FDEDRO
COC1(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCOCC1	ZINC000593347785	552093999	/nfs/dbraw/zinc/09/39/99/552093999.db2.gz	FZAQUKPBLXGJQR-UHFFFAOYSA-N	1	0	357.454	1.834	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)N2Cc3cccc(C#N)c3C2)CC1	ZINC000593361549	552095851	/nfs/dbraw/zinc/09/58/51/552095851.db2.gz	YNYBZBUCMJSLCD-MRXNPFEDSA-N	1	0	355.486	1.857	20	30		FDEDRO
COCCOC1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000593513442	552120332	/nfs/dbraw/zinc/12/03/32/552120332.db2.gz	KFSMROBDYCXWBV-UHFFFAOYSA-N	1	0	372.469	1.579	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC[C@H](CC(N)=O)C3)CC2)c1	ZINC000593516923	552120990	/nfs/dbraw/zinc/12/09/90/552120990.db2.gz	QFNWAWNKXQTGDR-QGZVFWFLSA-N	1	0	369.469	1.430	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCC1([NH+](C)C)CCC1	ZINC000593587353	552144416	/nfs/dbraw/zinc/14/44/16/552144416.db2.gz	FYGGKZUDISLFMV-UHFFFAOYSA-N	1	0	351.428	1.107	20	30		FDEDRO
CCO[C@@H]1CN(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C[C@H]1C[NH3+]	ZINC000593731485	552185652	/nfs/dbraw/zinc/18/56/52/552185652.db2.gz	YFJJHVCWXUSVFY-CZUORRHYSA-N	1	0	351.472	1.472	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1	ZINC000593766896	552194259	/nfs/dbraw/zinc/19/42/59/552194259.db2.gz	MIEDXRSYBJSYGP-UXLLHSPISA-N	1	0	356.426	1.242	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1	ZINC000593767694	552194593	/nfs/dbraw/zinc/19/45/93/552194593.db2.gz	RLSLODHHHAYGFP-MJEQTWJJSA-N	1	0	374.416	1.381	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1	ZINC000593767847	552194642	/nfs/dbraw/zinc/19/46/42/552194642.db2.gz	VVAMPUNOEWHDFB-XYJFISCASA-N	1	0	370.453	1.436	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)C(=O)NCC(F)F)CC2)c1	ZINC000593885341	552217355	/nfs/dbraw/zinc/21/73/55/552217355.db2.gz	CLTOVSDCVVYLAA-UHFFFAOYSA-N	1	0	350.369	1.020	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000593907629	552223025	/nfs/dbraw/zinc/22/30/25/552223025.db2.gz	PKRAGJSBHLTQQC-IUODEOHRSA-N	1	0	370.375	1.278	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1	ZINC000593908283	552223440	/nfs/dbraw/zinc/22/34/40/552223440.db2.gz	JUMRAJRWWDEYAV-SJLPKXTDSA-N	1	0	373.453	1.691	20	30		FDEDRO
CC[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)[C@@H]1CCCCO1	ZINC000594041920	552242813	/nfs/dbraw/zinc/24/28/13/552242813.db2.gz	KNASNQODQMTMDO-BZSNNMDCSA-N	1	0	350.507	1.616	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1	ZINC000594283739	552277427	/nfs/dbraw/zinc/27/74/27/552277427.db2.gz	RZKXFHQMWFHTAD-ZWKOTPCHSA-N	1	0	368.485	1.802	20	30		FDEDRO
CSc1nc(C2CC2)cc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1C#N	ZINC000594394215	552302599	/nfs/dbraw/zinc/30/25/99/552302599.db2.gz	VGLDVSBZOQWKGW-QWHCGFSZSA-N	1	0	358.467	1.444	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc(Br)cc1	ZINC000594426402	552308238	/nfs/dbraw/zinc/30/82/38/552308238.db2.gz	CPKHCHMOAFYJSC-ZDUSSCGKSA-N	1	0	367.247	1.915	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1	ZINC000594431985	552308498	/nfs/dbraw/zinc/30/84/98/552308498.db2.gz	UMSGVYLRSOUYHS-QGZVFWFLSA-N	1	0	360.433	1.450	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1	ZINC000594432024	552308609	/nfs/dbraw/zinc/30/86/09/552308609.db2.gz	VHASYVOQBFPJTA-DLBZAZTESA-N	1	0	358.442	1.832	20	30		FDEDRO
C[C@H]1CN(Cc2cccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)c2)CCO1	ZINC000594438658	552310443	/nfs/dbraw/zinc/31/04/43/552310443.db2.gz	PKFNXOWCKXGYGG-LPHOPBHVSA-N	1	0	358.486	1.935	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1	ZINC000594439818	552310863	/nfs/dbraw/zinc/31/08/63/552310863.db2.gz	QPBFGPVVIJWTMR-INIZCTEOSA-N	1	0	367.453	1.864	20	30		FDEDRO
CN1CCN(C(=O)c2ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc2)CC1	ZINC000594441255	552311101	/nfs/dbraw/zinc/31/11/01/552311101.db2.gz	PWDNHKHUNIIZDN-QGZVFWFLSA-N	1	0	357.458	1.424	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N1CCn2c(Cc3ccccc3F)nnc2C1	ZINC000594452238	552313607	/nfs/dbraw/zinc/31/36/07/552313607.db2.gz	FWUGUUVVTNZGDQ-MRXNPFEDSA-N	1	0	370.432	1.761	20	30		FDEDRO
N#Cc1cccnc1OC1CCC(NC(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1	ZINC000594524327	552327721	/nfs/dbraw/zinc/32/77/21/552327721.db2.gz	HZGXMGBEOONATI-BPCQOVAHSA-N	1	0	371.363	1.832	20	30		FDEDRO
N#Cc1ccc2c(c1)CN(C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C2	ZINC000594532419	552329609	/nfs/dbraw/zinc/32/96/09/552329609.db2.gz	AGVYGJZLODFPPE-OAHLLOKOSA-N	1	0	367.375	1.420	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCC2CC[NH+](C3CCOCC3)CC2)cn1	ZINC000594792655	552386550	/nfs/dbraw/zinc/38/65/50/552386550.db2.gz	QBLIZDRZGRRWRF-UHFFFAOYSA-N	1	0	364.471	1.123	20	30		FDEDRO
CN(CCC[NH+](C)C)CCNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1	ZINC000594822282	552398980	/nfs/dbraw/zinc/39/89/80/552398980.db2.gz	VILQMUZJOQCHHJ-UHFFFAOYSA-N	1	0	366.531	1.650	20	30		FDEDRO
Cn1cc(C[NH2+]CC2(CC#N)CC2)c(CN2C(=O)c3ccccc3C2=O)n1	ZINC000594935446	552424610	/nfs/dbraw/zinc/42/46/10/552424610.db2.gz	DPVNYMKWZIWDIF-UHFFFAOYSA-N	1	0	363.421	2.000	20	30		FDEDRO
CO[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)[C@@H]1CCOC1	ZINC000594950134	552426222	/nfs/dbraw/zinc/42/62/22/552426222.db2.gz	JAWGKYNJCQBUGH-SJLPKXTDSA-N	1	0	355.442	2.000	20	30		FDEDRO
C[C@@H]1CC[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CS1(=O)=O	ZINC000594973962	552429433	/nfs/dbraw/zinc/42/94/33/552429433.db2.gz	IFXFAGPJSDDZJJ-RHSMWYFYSA-N	1	0	373.482	1.914	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1	ZINC000595114305	552455252	/nfs/dbraw/zinc/45/52/52/552455252.db2.gz	VQZFDCBRJBJLED-RCCFBDPRSA-N	1	0	363.483	1.749	20	30		FDEDRO
C[C@H]1CCN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)CC[N@@H+]1Cc1ccccc1	ZINC000595173144	552477335	/nfs/dbraw/zinc/47/73/35/552477335.db2.gz	WOHWEKQUDOXNIR-UWJYYQICSA-N	1	0	368.481	1.872	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000595198019	552487401	/nfs/dbraw/zinc/48/74/01/552487401.db2.gz	ZYVWVMSMGSLHCP-OAHLLOKOSA-N	1	0	360.389	1.005	20	30		FDEDRO
C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@](C)(C#N)C2)cc1	ZINC000595208201	552490824	/nfs/dbraw/zinc/49/08/24/552490824.db2.gz	QEIJJYGLSWIOIY-LJQANCHMSA-N	1	0	371.441	1.277	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)n(CCC#N)n1	ZINC000595229514	552498493	/nfs/dbraw/zinc/49/84/93/552498493.db2.gz	KDIZJEBRQBAXCH-UHFFFAOYSA-N	1	0	372.473	1.282	20	30		FDEDRO
N#CCCn1ccc(=NC(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)[nH]1	ZINC000595230139	552498926	/nfs/dbraw/zinc/49/89/26/552498926.db2.gz	SRTUWTCUAFERAP-HOTGVXAUSA-N	1	0	356.405	2.203	20	30		FDEDRO
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCC23CC(C2)C[NH2+]3)n1	ZINC000595231548	552499196	/nfs/dbraw/zinc/49/91/96/552499196.db2.gz	YUGJGEWFGAOVOI-UHFFFAOYSA-N	1	0	356.817	2.271	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1	ZINC000595238340	552502060	/nfs/dbraw/zinc/50/20/60/552502060.db2.gz	SSAQFYOVPBQAIR-MRXNPFEDSA-N	1	0	363.483	1.712	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)ccc1OC(F)(F)F	ZINC000595242615	552503611	/nfs/dbraw/zinc/50/36/11/552503611.db2.gz	VNHZBHDZMJACHF-GHMZBOCLSA-N	1	0	374.294	1.293	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1	ZINC000595257766	552506551	/nfs/dbraw/zinc/50/65/51/552506551.db2.gz	WJQWOIULYJZYNB-BBWFWOEESA-N	1	0	368.437	1.041	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NCCc1ccc(I)cc1	ZINC000595260124	552506623	/nfs/dbraw/zinc/50/66/23/552506623.db2.gz	VNNIFTOFCBZMPR-CYBMUJFWSA-N	1	0	371.222	1.971	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NC1(CN2CCN(c3ccccc3)CC2)CC1	ZINC000595258407	552506626	/nfs/dbraw/zinc/50/66/26/552506626.db2.gz	UWLNXNATTWJNMN-GOSISDBHSA-N	1	0	355.486	1.479	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C2CC2)cc1	ZINC000595275718	552510234	/nfs/dbraw/zinc/51/02/34/552510234.db2.gz	RZQIVJSRTZLTGY-UHFFFAOYSA-N	1	0	352.398	1.387	20	30		FDEDRO
CC(C)[C@H]([NH3+])CCNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000595276397	552510281	/nfs/dbraw/zinc/51/02/81/552510281.db2.gz	YPAHWQUJDIOFGX-CQSZACIVSA-N	1	0	360.462	1.629	20	30		FDEDRO
C[NH+](C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)CC1(C#N)CCC1	ZINC000595403509	552551159	/nfs/dbraw/zinc/55/11/59/552551159.db2.gz	BDIDQCDHJLOIQY-OAHLLOKOSA-N	1	0	355.504	1.585	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000595404470	552551454	/nfs/dbraw/zinc/55/14/54/552551454.db2.gz	LVCCLHKEMOLLNM-INIZCTEOSA-N	1	0	351.472	1.598	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(F)c2)CCO1	ZINC000595405572	552552189	/nfs/dbraw/zinc/55/21/89/552552189.db2.gz	YEKOEFMKCONQCL-CQSZACIVSA-N	1	0	355.435	1.429	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@@H](CC#N)C3)cn2)CC1	ZINC000595440319	552560397	/nfs/dbraw/zinc/56/03/97/552560397.db2.gz	ILMVHGKBAFWDHT-INIZCTEOSA-N	1	0	356.474	1.669	20	30		FDEDRO
CC(C)C[NH2+]C1(CO)CCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1	ZINC000595510861	552576216	/nfs/dbraw/zinc/57/62/16/552576216.db2.gz	FVBBUJFERQUSKO-UHFFFAOYSA-N	1	0	364.534	1.744	20	30		FDEDRO
N#Cc1sccc1N1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1	ZINC000595518157	552577120	/nfs/dbraw/zinc/57/71/20/552577120.db2.gz	ZXMIVQOPXYWRLK-HNNXBMFYSA-N	1	0	359.499	1.936	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[NH2+]C1(CC(=O)OC(C)(C)C)CCOCC1	ZINC000595541245	552581049	/nfs/dbraw/zinc/58/10/49/552581049.db2.gz	VGTZZIPZBGICBP-HNNXBMFYSA-N	1	0	367.490	1.865	20	30		FDEDRO
CC(C)(C)OC(=O)CC1([NH2+]CC(=O)N[C@](C)(C#N)C2CC2)CCOCC1	ZINC000595545479	552581728	/nfs/dbraw/zinc/58/17/28/552581728.db2.gz	BVSMQROJTBPNHH-GOSISDBHSA-N	1	0	365.474	1.665	20	30		FDEDRO
COC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](CC#N)C2)c(OC)c1	ZINC000595609933	552592257	/nfs/dbraw/zinc/59/22/57/552592257.db2.gz	QJYVLSKCYZEXRC-ZBFHGGJFSA-N	1	0	362.426	1.847	20	30		FDEDRO
C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CCC[C@@H](CC#N)C1	ZINC000595611921	552592692	/nfs/dbraw/zinc/59/26/92/552592692.db2.gz	PCTXMOKFZZHXCO-CVEARBPZSA-N	1	0	358.442	1.578	20	30		FDEDRO
COC[C@@H](CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)OC	ZINC000595683722	552602395	/nfs/dbraw/zinc/60/23/95/552602395.db2.gz	JLRKXQWFRVTWQL-LJQANCHMSA-N	1	0	374.485	1.827	20	30		FDEDRO
CCn1cc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nn1	ZINC000595756006	552611859	/nfs/dbraw/zinc/61/18/59/552611859.db2.gz	AZDXTIYMXSZZSW-UHFFFAOYSA-N	1	0	367.457	1.587	20	30		FDEDRO
C[C@H](O)[C@H]1CCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000595765876	552612866	/nfs/dbraw/zinc/61/28/66/552612866.db2.gz	KQMKQEBTVGOFBB-KFKAGJAMSA-N	1	0	374.460	1.380	20	30		FDEDRO
CCCCNC(=O)NC(=O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1	ZINC000595775734	552613844	/nfs/dbraw/zinc/61/38/44/552613844.db2.gz	WPPTZOISABEUHF-UHFFFAOYSA-N	1	0	358.442	1.779	20	30		FDEDRO
C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000595787418	552615119	/nfs/dbraw/zinc/61/51/19/552615119.db2.gz	OYJONISNMCDDGH-QGZVFWFLSA-N	1	0	370.501	1.905	20	30		FDEDRO
N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+]2CCC3(COC3)C2)CC1	ZINC000595832572	552621386	/nfs/dbraw/zinc/62/13/86/552621386.db2.gz	FMJGCFXDLFQAMX-SFHVURJKSA-N	1	0	372.444	1.257	20	30		FDEDRO
N#Cc1ccc(NC(=O)CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1Cl	ZINC000595862872	552625214	/nfs/dbraw/zinc/62/52/14/552625214.db2.gz	IEHIWTINJPTBFK-INIZCTEOSA-N	1	0	362.861	1.681	20	30		FDEDRO
CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1	ZINC000595948518	552637288	/nfs/dbraw/zinc/63/72/88/552637288.db2.gz	MCSYLUYYVLIMKK-RBUKOAKNSA-N	1	0	357.502	1.330	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CCN(C(=O)[C@H]4CCCC[NH2+]4)CC3)n[nH]2)cc1	ZINC000595972851	552640494	/nfs/dbraw/zinc/64/04/94/552640494.db2.gz	ZAIOZCWQFHKSKZ-QGZVFWFLSA-N	1	0	364.453	1.739	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CCN(C(=O)[C@H]4C[C@@H]([NH3+])C4)CC3)n[nH]2)cc1	ZINC000595972643	552640585	/nfs/dbraw/zinc/64/05/85/552640585.db2.gz	XGSIMBDKBJQFOY-IYBDPMFKSA-N	1	0	350.426	1.334	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)nc1	ZINC000596066176	552651609	/nfs/dbraw/zinc/65/16/09/552651609.db2.gz	MYDQTKGYQPMLDW-CGTJXYLNSA-N	1	0	357.410	1.794	20	30		FDEDRO
CCc1nc(C#N)cc(N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)n1	ZINC000596106812	552655677	/nfs/dbraw/zinc/65/56/77/552655677.db2.gz	DZTMDVPBBQMLGT-SFHVURJKSA-N	1	0	350.470	2.311	20	30		FDEDRO
C[N@H+](CCOc1cccc(CNc2cc(C#N)cnn2)c1)C1CCOCC1	ZINC000596109886	552656017	/nfs/dbraw/zinc/65/60/17/552656017.db2.gz	GAQTVCWAEMKMHA-UHFFFAOYSA-N	1	0	367.453	2.450	20	30		FDEDRO
C[C@H](CNC(=O)NC(C)(C)c1cccc(C#N)c1)C[NH+]1CCN(C)CC1	ZINC000596405878	552676764	/nfs/dbraw/zinc/67/67/64/552676764.db2.gz	ZODOVVSRIWCNHR-MRXNPFEDSA-N	1	0	357.502	1.976	20	30		FDEDRO
C[NH+]1CCN(c2ccc(-c3noc(C4(C#N)CCOCC4)n3)nc2)CC1	ZINC000596604979	552693748	/nfs/dbraw/zinc/69/37/48/552693748.db2.gz	FPNZAFDRQROEAY-UHFFFAOYSA-N	1	0	354.414	1.455	20	30		FDEDRO
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21	ZINC000596632567	552695312	/nfs/dbraw/zinc/69/53/12/552695312.db2.gz	LUXORHWPYJVAOV-GOSISDBHSA-N	1	0	371.485	1.597	20	30		FDEDRO
CCN(C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C)[C@@H]1CC[N@H+](CC)C1	ZINC000596841277	552717071	/nfs/dbraw/zinc/71/70/71/552717071.db2.gz	ZHFJOPUXSBAXKL-MRXNPFEDSA-N	1	0	367.457	2.395	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCc2nn[nH]c21	ZINC000596972904	552730332	/nfs/dbraw/zinc/73/03/32/552730332.db2.gz	FZNVUKJEINDIDY-INIZCTEOSA-N	1	0	352.442	1.687	20	30		FDEDRO
C[N@H+](CCNC(=O)C(=O)NCC1(C#N)CCCCC1)Cc1ccc(F)cc1	ZINC000597301490	552771796	/nfs/dbraw/zinc/77/17/96/552771796.db2.gz	PSOQBTMVTRHUKX-UHFFFAOYSA-N	1	0	374.460	1.964	20	30		FDEDRO
N#CC1(CC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCOCC1	ZINC000597321364	552774977	/nfs/dbraw/zinc/77/49/77/552774977.db2.gz	VUUZXARPPBXKDL-FQEVSTJZSA-N	1	0	357.454	1.450	20	30		FDEDRO
CO[C@@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCOC1	ZINC000597474294	552793359	/nfs/dbraw/zinc/79/33/59/552793359.db2.gz	GCLUEAICDJOLRI-QZTJIDSGSA-N	1	0	357.454	1.712	20	30		FDEDRO
N#CC1(NC(=O)c2ccn3nnnc3c2)CC[NH+](Cc2ccccc2)CC1	ZINC000597478934	552794069	/nfs/dbraw/zinc/79/40/69/552794069.db2.gz	XHHNWBVWTYVEQE-UHFFFAOYSA-N	1	0	361.409	1.412	20	30		FDEDRO
C[NH+](C)CC1CN(C(=O)COc2ccc(C#N)c(Br)c2)C1	ZINC000597705534	552824387	/nfs/dbraw/zinc/82/43/87/552824387.db2.gz	GKAJCSUSOWAEAX-UHFFFAOYSA-N	1	0	352.232	1.720	20	30		FDEDRO
N#Cc1ccc(C(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1O	ZINC000597993188	552854035	/nfs/dbraw/zinc/85/40/35/552854035.db2.gz	ZWOBDOZPTLVDCL-GOSISDBHSA-N	1	0	351.406	1.760	20	30		FDEDRO
N#CCn1c(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc2ccccc21	ZINC000598452096	552897095	/nfs/dbraw/zinc/89/70/95/552897095.db2.gz	GYPAPIWLIMKMFL-KRWDZBQOSA-N	1	0	352.438	1.836	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[N@@H+]1CCc2c(cccc2NS(C)(=O)=O)C1	ZINC000598586746	552912008	/nfs/dbraw/zinc/91/20/08/552912008.db2.gz	XXTZZHPOHASSSR-AWEZNQCLSA-N	1	0	351.472	1.717	20	30		FDEDRO
Cc1ccc(OCC(=O)N2CCN(C[C@@H](O)CC(C)(C)C#N)CC2)cc1	ZINC000598590092	552912130	/nfs/dbraw/zinc/91/21/30/552912130.db2.gz	JYVMXKUHNFTRSW-KRWDZBQOSA-N	1	0	359.470	1.819	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)CN1C(=O)N[C@]2(CC[N@H+](Cc3ccccc3)C2)C1=O	ZINC000598702653	552926930	/nfs/dbraw/zinc/92/69/30/552926930.db2.gz	WUQDYQPNUHPYML-UZLBHIALSA-N	1	0	370.453	1.484	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)cc1Br	ZINC000598723401	552928177	/nfs/dbraw/zinc/92/81/77/552928177.db2.gz	GXCRPTBJGSTVPL-RISCZKNCSA-N	1	0	370.272	1.823	20	30		FDEDRO
N#Cc1ccc(NC(=O)N2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1	ZINC000598913960	552944141	/nfs/dbraw/zinc/94/41/41/552944141.db2.gz	SERCODPKNQHSMV-DLBZAZTESA-N	1	0	368.441	1.310	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1	ZINC000599101666	552967710	/nfs/dbraw/zinc/96/77/10/552967710.db2.gz	NVOVGBGNJSBNJS-KGLIPLIRSA-N	1	0	361.389	1.847	20	30		FDEDRO
Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)CCOCC[NH3+]	ZINC000599110249	552969027	/nfs/dbraw/zinc/96/90/27/552969027.db2.gz	MYEIEMQWCSKPJE-UHFFFAOYSA-N	1	0	353.469	1.677	20	30		FDEDRO
CN1CCOC[C@@H]1CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000599196240	552982667	/nfs/dbraw/zinc/98/26/67/552982667.db2.gz	WLRLEPNVDRYLPX-INIZCTEOSA-N	1	0	358.442	1.442	20	30		FDEDRO
CCCCNC(=O)[C@H]1CCC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000599276654	553012524	/nfs/dbraw/zinc/01/25/24/553012524.db2.gz	DEJOXNCUKKNCBS-DLBZAZTESA-N	1	0	351.491	1.686	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(C)C	ZINC000599287256	553015832	/nfs/dbraw/zinc/01/58/32/553015832.db2.gz	KDOJZAUIZHIHHS-CYBMUJFWSA-N	1	0	371.463	1.305	20	30		FDEDRO
CCN1C(=O)CO[C@H](C(=O)Nc2ccc(F)c(C#N)c2)[C@H]1c1nccn1C	ZINC000599310116	553023123	/nfs/dbraw/zinc/02/31/23/553023123.db2.gz	OLUWFVHFESJPMX-HOTGVXAUSA-N	1	0	371.372	1.358	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH+]2CCC(CN3CCCCC3=O)CC2)CCOCC1	ZINC000599325277	553027710	/nfs/dbraw/zinc/02/77/10/553027710.db2.gz	CEIMOYVGYVCONU-SFHVURJKSA-N	1	0	363.502	1.782	20	30		FDEDRO
C[C@@]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)(C(N)=O)c1cccc(Cl)c1	ZINC000599330137	553029489	/nfs/dbraw/zinc/02/94/89/553029489.db2.gz	HONGUVGGAMMXGT-RDJZCZTQSA-N	1	0	365.861	1.701	20	30		FDEDRO
CC(C)([NH2+]C[C@@H](O)COc1ccccc1C#N)C(=O)NCC1CCCC1	ZINC000599340873	553032245	/nfs/dbraw/zinc/03/22/45/553032245.db2.gz	AHWDGKODSMOWRN-QGZVFWFLSA-N	1	0	359.470	1.973	20	30		FDEDRO
CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599372367	553039102	/nfs/dbraw/zinc/03/91/02/553039102.db2.gz	ZYALURHMTIRXGQ-JYJNAYRXSA-N	1	0	354.447	1.100	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@@H](N2CCC([NH+]3CCOCC3)CC2)C1=O	ZINC000599472959	553067525	/nfs/dbraw/zinc/06/75/25/553067525.db2.gz	TYGGJTYBWLWGLB-MRXNPFEDSA-N	1	0	360.483	1.522	20	30		FDEDRO
COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]CC#CCN1C(=O)c2ccccc2C1=O	ZINC000599479057	553068972	/nfs/dbraw/zinc/06/89/72/553068972.db2.gz	UGKAUZIBFGSEMA-IDCJVQTKSA-N	1	0	366.417	1.463	20	30		FDEDRO
CNS(=O)(=O)C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1	ZINC000599692991	553123266	/nfs/dbraw/zinc/12/32/66/553123266.db2.gz	MOIBFWGFGFWTCH-HNNXBMFYSA-N	1	0	364.471	1.148	20	30		FDEDRO
COc1cc(NC(=O)NCCN2C[C@@H](C)OC[C@@H]2C)c(F)cc1C#N	ZINC000599808495	553153532	/nfs/dbraw/zinc/15/35/32/553153532.db2.gz	MNOYZDRPGASXSP-NWDGAFQWSA-N	1	0	350.394	1.937	20	30		FDEDRO
CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1cc(OC)c(C#N)cc1F	ZINC000599811462	553153774	/nfs/dbraw/zinc/15/37/74/553153774.db2.gz	AVNURNVVYAEUSJ-CYBMUJFWSA-N	1	0	352.410	1.920	20	30		FDEDRO
C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)c1cccc(C#N)c1	ZINC000599873527	553164554	/nfs/dbraw/zinc/16/45/54/553164554.db2.gz	IRSZMQYLVURATI-ZDUSSCGKSA-N	1	0	364.405	1.856	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1	ZINC000599900011	553170961	/nfs/dbraw/zinc/17/09/61/553170961.db2.gz	PBMUBTMSGPXAJV-JSGCOSHPSA-N	1	0	368.359	1.791	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(F)c1	ZINC000599899937	553171036	/nfs/dbraw/zinc/17/10/36/553171036.db2.gz	NIRFEBPEPMYSEF-WDEREUQCSA-N	1	0	372.322	1.622	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)c(F)cc1C#N	ZINC000599932661	553176179	/nfs/dbraw/zinc/17/61/79/553176179.db2.gz	YDQLIVJTFUPTQL-LBPRGKRZSA-N	1	0	362.405	1.635	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(C(=O)Cc2ccc(C#N)nc2)CC1	ZINC000599932509	553176410	/nfs/dbraw/zinc/17/64/10/553176410.db2.gz	WTHJAARAMVFMGF-UHFFFAOYSA-N	1	0	360.458	1.082	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c(F)cc1C#N	ZINC000599942389	553180569	/nfs/dbraw/zinc/18/05/69/553180569.db2.gz	CCMKWLVBJAHLIJ-ZDUSSCGKSA-N	1	0	360.389	1.341	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c(F)cc1C#N	ZINC000599944633	553181246	/nfs/dbraw/zinc/18/12/46/553181246.db2.gz	UIWUCUSPEJVRTG-ZDUSSCGKSA-N	1	0	360.389	1.245	20	30		FDEDRO
CCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(OC)c(C#N)cc1F	ZINC000599953217	553183945	/nfs/dbraw/zinc/18/39/45/553183945.db2.gz	RDYUQOLCMNVDHH-UHFFFAOYSA-N	1	0	350.394	1.493	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c(F)cc1C#N	ZINC000599954229	553184308	/nfs/dbraw/zinc/18/43/08/553184308.db2.gz	BWJVGTXKYQZSLO-BONVTDFDSA-N	1	0	360.389	1.243	20	30		FDEDRO
C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1	ZINC000599955207	553184617	/nfs/dbraw/zinc/18/46/17/553184617.db2.gz	JWJCCZDJIWYMND-IFXJQAMLSA-N	1	0	362.433	1.708	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(F)cc1C#N	ZINC000599971509	553189521	/nfs/dbraw/zinc/18/95/21/553189521.db2.gz	CHVFFFTYTMNBCL-DGCLKSJQSA-N	1	0	362.405	1.586	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c(F)cc1C#N	ZINC000599976478	553190705	/nfs/dbraw/zinc/19/07/05/553190705.db2.gz	DZHTTZJOXAAAED-BLLLJJGKSA-N	1	0	374.416	1.730	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c(F)cc1C#N	ZINC000599976398	553190771	/nfs/dbraw/zinc/19/07/71/553190771.db2.gz	ANXPQAZTFQZJQC-OCCSQVGLSA-N	1	0	374.416	1.730	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccnc4ccnn43)CC2)c1	ZINC000600080861	553214718	/nfs/dbraw/zinc/21/47/18/553214718.db2.gz	HZNWMQBNMGMNCV-UHFFFAOYSA-N	1	0	360.421	1.995	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)c1	ZINC000600514659	553280047	/nfs/dbraw/zinc/28/00/47/553280047.db2.gz	JJKMQILQJJIDTO-KRWDZBQOSA-N	1	0	363.483	1.317	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C[NH2+]C[C@H](O)CC3(C#N)CCOCC3)cn2)CCO1	ZINC000600714771	553306059	/nfs/dbraw/zinc/30/60/59/553306059.db2.gz	COHRFKNPBWLFDZ-SJLPKXTDSA-N	1	0	374.485	1.468	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C[NH2+]C[C@@H](O)CC3(C#N)CCOCC3)cn2)CCO1	ZINC000600714748	553306070	/nfs/dbraw/zinc/30/60/70/553306070.db2.gz	COHRFKNPBWLFDZ-AEFFLSMTSA-N	1	0	374.485	1.468	20	30		FDEDRO
COCC(=O)Nc1cccc(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)c1	ZINC000600720082	553306667	/nfs/dbraw/zinc/30/66/67/553306667.db2.gz	XEMXCILWRAPFIL-QGZVFWFLSA-N	1	0	361.442	1.432	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]C[C@H](c2ccccc2)N2CCOCC2)CCOCC1	ZINC000600720228	553306819	/nfs/dbraw/zinc/30/68/19/553306819.db2.gz	XUWOEJHTJTUSCJ-VQTJNVASSA-N	1	0	373.497	1.721	20	30		FDEDRO
COc1cccc2c1OC[C@H]([NH2+]C[C@H](O)COc1ccccc1C#N)C2	ZINC000600723479	553307419	/nfs/dbraw/zinc/30/74/19/553307419.db2.gz	VDIXLSPCNVDTGN-SJORKVTESA-N	1	0	354.406	1.900	20	30		FDEDRO
COc1cccc2c1OC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)C2	ZINC000600723476	553307525	/nfs/dbraw/zinc/30/75/25/553307525.db2.gz	VDIXLSPCNVDTGN-DLBZAZTESA-N	1	0	354.406	1.900	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)CCOCC1	ZINC000600727452	553308156	/nfs/dbraw/zinc/30/81/56/553308156.db2.gz	LXOGOSGYWTYBCA-OLZOCXBDSA-N	1	0	363.380	1.201	20	30		FDEDRO
COC(=O)COc1cccc(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)c1	ZINC000600729328	553308516	/nfs/dbraw/zinc/30/85/16/553308516.db2.gz	XVFISPIIWDJROH-INIZCTEOSA-N	1	0	362.426	1.399	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)CCOCC1	ZINC000600731536	553308749	/nfs/dbraw/zinc/30/87/49/553308749.db2.gz	SZYKMXPLFPYGQN-HUUCEWRRSA-N	1	0	364.877	1.975	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+][C@H](c2ccncc2)C2(CO)CCC2)CCOCC1	ZINC000600742238	553309965	/nfs/dbraw/zinc/30/99/65/553309965.db2.gz	CGBBBNCCGQPMCZ-QZTJIDSGSA-N	1	0	359.470	1.946	20	30		FDEDRO
COCC[N@H+](C)CCN1C[C@@H](Nc2c(C#N)nnc3ccccc32)CC1=O	ZINC000601177975	553356328	/nfs/dbraw/zinc/35/63/28/553356328.db2.gz	GSOYCOXWKMFYKY-AWEZNQCLSA-N	1	0	368.441	1.092	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(Nc3nc4ncccc4cc3C#N)CC2)C1=O	ZINC000601178326	553356690	/nfs/dbraw/zinc/35/66/90/553356690.db2.gz	PMFXDPFGQHONKB-MRXNPFEDSA-N	1	0	350.426	1.608	20	30		FDEDRO
N#CCc1ccccc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1	ZINC000601343583	553380296	/nfs/dbraw/zinc/38/02/96/553380296.db2.gz	QQYYCZCTQCBBEL-BRWVUGGUSA-N	1	0	363.483	1.802	20	30		FDEDRO
C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)c2ccccc2CC#N)CC1	ZINC000601397714	553394080	/nfs/dbraw/zinc/39/40/80/553394080.db2.gz	RLTJZPKDAHJIDD-UHFFFAOYSA-N	1	0	364.515	1.447	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(S(=O)(=O)c2ccccc2CC#N)CC1	ZINC000601408298	553397284	/nfs/dbraw/zinc/39/72/84/553397284.db2.gz	ODHOGSRXKYJBSZ-UHFFFAOYSA-N	1	0	372.450	1.667	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC([N@@H+]3CCCOCC3)CC2)cc1F	ZINC000601440263	553405976	/nfs/dbraw/zinc/40/59/76/553405976.db2.gz	MWNVJDPZPPLTJT-UHFFFAOYSA-N	1	0	367.446	1.573	20	30		FDEDRO
N#Cc1cccc(-c2csc(NC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)n2)c1	ZINC000601573868	553438145	/nfs/dbraw/zinc/43/81/45/553438145.db2.gz	NHGQRRIQNKICJC-STQMWFEESA-N	1	0	353.407	1.193	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C[NH3+]	ZINC000601577486	553438737	/nfs/dbraw/zinc/43/87/37/553438737.db2.gz	RXOBMJVCMFZTIL-MWLCHTKSSA-N	1	0	354.332	1.569	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)N2CCN(CCC#N)CC2)CC[N@@H+]1Cc1ccccc1	ZINC000601610919	553445320	/nfs/dbraw/zinc/44/53/20/553445320.db2.gz	TWTPPIHBOOXJBL-MJGOQNOKSA-N	1	0	355.486	1.890	20	30		FDEDRO
N#CC1(C[C@H](O)CN2C(=O)N[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2=O)CC1	ZINC000601957965	553495972	/nfs/dbraw/zinc/49/59/72/553495972.db2.gz	MBJBWZJTZMYWBJ-OXJNMPFZSA-N	1	0	368.437	1.238	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2cccc3c2CCOC3)nc1	ZINC000601970251	553497403	/nfs/dbraw/zinc/49/74/03/553497403.db2.gz	VFHHPHACKFCRTR-UHFFFAOYSA-N	1	0	357.435	1.589	20	30		FDEDRO
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000602033210	553505040	/nfs/dbraw/zinc/50/50/40/553505040.db2.gz	NFPHKRXFOVROQO-UHFFFAOYSA-N	1	0	370.497	1.561	20	30		FDEDRO
N#Cc1cc(F)cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c1	ZINC000602049188	553508071	/nfs/dbraw/zinc/50/80/71/553508071.db2.gz	LBSRZENFLOPQOE-CQSZACIVSA-N	1	0	358.417	1.874	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc(C#N)c2)CCO1	ZINC000602051084	553508424	/nfs/dbraw/zinc/50/84/24/553508424.db2.gz	YCHSFDWVSBJGTK-MRXNPFEDSA-N	1	0	362.405	1.205	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1	ZINC000602059310	553510585	/nfs/dbraw/zinc/51/05/85/553510585.db2.gz	OPDNSUZWQSCHKY-UHFFFAOYSA-N	1	0	369.469	1.948	20	30		FDEDRO
COCCOCC[N@H+](C)CCC(=O)N[C@@]1(C#N)CCc2ccccc2C1	ZINC000602140198	553526709	/nfs/dbraw/zinc/52/67/09/553526709.db2.gz	OHFPUHVAICRQCB-FQEVSTJZSA-N	1	0	359.470	1.539	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2=O)cc1	ZINC000602148478	553528539	/nfs/dbraw/zinc/52/85/39/553528539.db2.gz	WGBOAPHIIYRMPW-SFHVURJKSA-N	1	0	366.465	1.651	20	30		FDEDRO
C[NH+](C)[C@@H]1C[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1(C)C	ZINC000602173499	553533860	/nfs/dbraw/zinc/53/38/60/553533860.db2.gz	QPTPWHQNJMHPTD-JKSUJKDBSA-N	1	0	363.483	1.318	20	30		FDEDRO
CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCC(=O)NCC#N	ZINC000602313860	553561990	/nfs/dbraw/zinc/56/19/90/553561990.db2.gz	RSAXLDRZRMSJDH-QGZVFWFLSA-N	1	0	357.458	1.178	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+]CCCN1CCN(c2ncccn2)CC1	ZINC000602509348	553595764	/nfs/dbraw/zinc/59/57/64/553595764.db2.gz	GHLSZXWPIPCIKB-GOSISDBHSA-N	1	0	372.517	1.677	20	30		FDEDRO
CC(C)(O)C[NH+]1CCC(N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000602595491	553609366	/nfs/dbraw/zinc/60/93/66/553609366.db2.gz	BFJYATAZDPMBKQ-IBGZPJMESA-N	1	0	370.497	1.879	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)Nc1cnn(CC(=O)NCC[NH+](C)C)c1	ZINC000602612379	553611498	/nfs/dbraw/zinc/61/14/98/553611498.db2.gz	IPOMITFZDHJCOT-OAHLLOKOSA-N	1	0	362.478	1.072	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(S(=O)(=O)CCO)cc1	ZINC000602629455	553614445	/nfs/dbraw/zinc/61/44/45/553614445.db2.gz	HKVOXJYPUXVNPZ-OAHLLOKOSA-N	1	0	366.483	1.641	20	30		FDEDRO
Cc1ncc(CNC(=O)CC[NH+]2CCN(c3ccc(C#N)cn3)CC2)s1	ZINC000602764279	553633204	/nfs/dbraw/zinc/63/32/04/553633204.db2.gz	OWTMZHAFKNNUKN-UHFFFAOYSA-N	1	0	370.482	1.547	20	30		FDEDRO
C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)CC1(O)CCOCC1	ZINC000602768573	553634208	/nfs/dbraw/zinc/63/42/08/553634208.db2.gz	KATFJFCADYHVRW-KRWDZBQOSA-N	1	0	350.415	1.875	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1	ZINC000602815163	553643542	/nfs/dbraw/zinc/64/35/42/553643542.db2.gz	CRYJLDWLQRDQKC-OAHLLOKOSA-N	1	0	355.442	1.760	20	30		FDEDRO
C[NH+](C)C[C@@]1(O)CCCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000602876174	553657148	/nfs/dbraw/zinc/65/71/48/553657148.db2.gz	FQGNSNCGVCAUQX-ICSRJNTNSA-N	1	0	356.470	1.442	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)CN1CC2(CCCC2)OC[C@@H]1C[NH+](C)C	ZINC000602913611	553668304	/nfs/dbraw/zinc/66/83/04/553668304.db2.gz	PNJULZREAVSMLL-IRXDYDNUSA-N	1	0	350.507	1.570	20	30		FDEDRO
C[C@]12C[N@@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C[C@@]1(C)C(=O)NC2=O	ZINC000602937088	553674348	/nfs/dbraw/zinc/67/43/48/553674348.db2.gz	PXAQTNIAXHHORJ-RYGJVYDSSA-N	1	0	366.421	1.038	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@](COC)(C(=O)OC(C)(C)C)C1	ZINC000602959884	553680435	/nfs/dbraw/zinc/68/04/35/553680435.db2.gz	BPODYSCLSLQITH-FZKQIMNGSA-N	1	0	369.462	1.067	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH+]2CCN(Cc3ccc(O)cc3)CC2)CCOCC1	ZINC000603007139	553692841	/nfs/dbraw/zinc/69/28/41/553692841.db2.gz	ZRTDYXWBPVZXPX-IBGZPJMESA-N	1	0	359.470	1.581	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)n1cc(CN2CC[NH2+]CC2)nn1	ZINC000603179159	553723791	/nfs/dbraw/zinc/72/37/91/553723791.db2.gz	UCDBPPAZAJPTOZ-INIZCTEOSA-N	1	0	367.457	1.191	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccccc1C#N)n1cc(CN2CC[NH+](C)CC2)nn1	ZINC000603182009	553724510	/nfs/dbraw/zinc/72/45/10/553724510.db2.gz	ZUMNMGZQXBJWIX-AWEZNQCLSA-N	1	0	353.430	1.097	20	30		FDEDRO
C[NH2+][C@@H](C)c1cn(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)nn1	ZINC000603192329	553728176	/nfs/dbraw/zinc/72/81/76/553728176.db2.gz	YCSIVDKOFOCNNT-DZGCQCFKSA-N	1	0	373.486	1.029	20	30		FDEDRO
COC[C@H]([NH3+])Cc1cn(Cc2ccc(C#N)cc2Br)nn1	ZINC000603244315	553741559	/nfs/dbraw/zinc/74/15/59/553741559.db2.gz	SOIJYUCHRYJHAE-GFCCVEGCSA-N	1	0	350.220	1.477	20	30		FDEDRO
N#CCC(=O)NCc1cn(Cc2cccc(C[NH+]3CCCCC3)c2)nn1	ZINC000603255265	553744673	/nfs/dbraw/zinc/74/46/73/553744673.db2.gz	SSEUTIPQZQPNPL-UHFFFAOYSA-N	1	0	352.442	1.842	20	30		FDEDRO
COCCOCc1cc(C#N)ccc1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC000603287964	553755177	/nfs/dbraw/zinc/75/51/77/553755177.db2.gz	FPSVPDDRSGTDBB-PMACEKPBSA-N	1	0	359.470	1.757	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(c2cc(C#N)c(Br)cn2)CC1	ZINC000603298965	553758567	/nfs/dbraw/zinc/75/85/67/553758567.db2.gz	PHXXQZJDTJNEPM-UHFFFAOYSA-N	1	0	353.264	1.999	20	30		FDEDRO
CCC(C)(C)[NH+]1CCN(c2ccc(C#N)cc2CS(N)(=O)=O)CC1	ZINC000603404834	553780991	/nfs/dbraw/zinc/78/09/91/553780991.db2.gz	VESOFGYAFRAIDE-UHFFFAOYSA-N	1	0	350.488	1.657	20	30		FDEDRO
Cc1cc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)c(C#N)cc1[N+](=O)[O-]	ZINC000603424476	553785120	/nfs/dbraw/zinc/78/51/20/553785120.db2.gz	XUGPHZYQOZCTJQ-KRWDZBQOSA-N	1	0	373.457	1.983	20	30		FDEDRO
C=CCCSCCNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000603436690	553788650	/nfs/dbraw/zinc/78/86/50/553788650.db2.gz	QADCKMYAPJPMJS-QGZVFWFLSA-N	1	0	370.563	1.392	20	30		FDEDRO
CC(C)[N@H+](C)CCCNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1	ZINC000603621648	553806973	/nfs/dbraw/zinc/80/69/73/553806973.db2.gz	DFWLMACQRYVRAS-UHFFFAOYSA-N	1	0	366.487	1.025	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)cc1	ZINC000603684924	553810023	/nfs/dbraw/zinc/81/00/23/553810023.db2.gz	YWVSYXZSESMEKD-RTBURBONSA-N	1	0	371.481	1.731	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)CC1	ZINC000604308643	553861284	/nfs/dbraw/zinc/86/12/84/553861284.db2.gz	WFLVEOFFICFBSX-CYBMUJFWSA-N	1	0	362.380	1.422	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)CC1	ZINC000605065788	553948196	/nfs/dbraw/zinc/94/81/96/553948196.db2.gz	GTNZLKVYSKGLDX-UHFFFAOYSA-N	1	0	370.453	1.068	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC)C[NH+]2CCCC2)cc1	ZINC000605372162	553979118	/nfs/dbraw/zinc/97/91/18/553979118.db2.gz	NBJNXDUUVFSCCY-MRXNPFEDSA-N	1	0	365.499	1.755	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CC[NH+]1CCC(N2CCC[C@H]2C(N)=O)CC1	ZINC000609157112	554344497	/nfs/dbraw/zinc/34/44/97/554344497.db2.gz	UUBDURLTUQTZAY-SFHVURJKSA-N	1	0	369.469	1.301	20	30		FDEDRO
C[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(C#N)cc1	ZINC000609199556	554348852	/nfs/dbraw/zinc/34/88/52/554348852.db2.gz	AIAKVZXJSGMQMC-PBHICJAKSA-N	1	0	357.458	1.506	20	30		FDEDRO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](C)CN1CC[NH+](C)CC1	ZINC000609311719	554363284	/nfs/dbraw/zinc/36/32/84/554363284.db2.gz	TYPSJFOMYCVQID-VQIMIIECSA-N	1	0	358.486	1.714	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1	ZINC000609311426	554363566	/nfs/dbraw/zinc/36/35/66/554363566.db2.gz	ALMLUPWGDFULEY-APWZRJJASA-N	1	0	355.486	1.279	20	30		FDEDRO
CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC2CCN(CC#N)CC2)c1	ZINC000609340869	554369246	/nfs/dbraw/zinc/36/92/46/554369246.db2.gz	LGDGWZVZFVEMOE-UHFFFAOYSA-N	1	0	371.485	1.571	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)CSc2nc(C)c(C)c(C)c2C#N)C1	ZINC000609347575	554370642	/nfs/dbraw/zinc/37/06/42/554370642.db2.gz	PZGOCPJSANKVLB-OAHLLOKOSA-N	1	0	362.499	1.808	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNC(=O)NC2CCN(CC#N)CC2)CC1	ZINC000609359031	554372380	/nfs/dbraw/zinc/37/23/80/554372380.db2.gz	LNCBPRNSGAXYQS-UHFFFAOYSA-N	1	0	351.495	1.163	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@H]1CCC[N@@H+](C)C1	ZINC000609383124	554373667	/nfs/dbraw/zinc/37/36/67/554373667.db2.gz	HZKFMOMUVDLFEV-OAHLLOKOSA-N	1	0	354.458	1.608	20	30		FDEDRO
C[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C1CC[NH+](C)CC1	ZINC000609583575	554397309	/nfs/dbraw/zinc/39/73/09/554397309.db2.gz	QBGITRSRBTZMOI-AWEZNQCLSA-N	1	0	363.483	1.320	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000609620108	554403657	/nfs/dbraw/zinc/40/36/57/554403657.db2.gz	MDGAMAVAUBYORM-TZIWHRDSSA-N	1	0	370.497	1.316	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CCN1Cc1ccccc1	ZINC000609642202	554406967	/nfs/dbraw/zinc/40/69/67/554406967.db2.gz	DDOHAVQSZAVPNM-PKOBYXMFSA-N	1	0	353.470	1.643	20	30		FDEDRO
CN(CC1CC1)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000610008663	554448694	/nfs/dbraw/zinc/44/86/94/554448694.db2.gz	WEHWPYMCMYDGLR-UHFFFAOYSA-N	1	0	350.488	1.508	20	30		FDEDRO
C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NC2CCN(CC#N)CC2)C1	ZINC000610402348	554500529	/nfs/dbraw/zinc/50/05/29/554500529.db2.gz	HYCDVKJBIOGDMR-LJQANCHMSA-N	1	0	355.486	1.890	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)CN2CC[NH+](C[C@H]3CCOC3)CC2)cc1	ZINC000610538535	554525533	/nfs/dbraw/zinc/52/55/33/554525533.db2.gz	UEOSVGVTEOSREC-RTBURBONSA-N	1	0	359.470	1.146	20	30		FDEDRO
C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CCCC[NH+](C)C	ZINC000610808977	554565185	/nfs/dbraw/zinc/56/51/85/554565185.db2.gz	WGAQIFLGGWVEIE-AWEZNQCLSA-N	1	0	366.487	1.025	20	30		FDEDRO
N#Cc1cnc(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c(Cl)c1	ZINC000610907985	554579812	/nfs/dbraw/zinc/57/98/12/554579812.db2.gz	DPYNXFGHHKSPJB-AWEZNQCLSA-N	1	0	361.833	1.161	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@](C)(C#N)C3)cn2)CC1	ZINC000612099233	554733508	/nfs/dbraw/zinc/73/35/08/554733508.db2.gz	CBSXGFIFHADVIB-LJQANCHMSA-N	1	0	356.474	1.669	20	30		FDEDRO
C[C@]1(C#N)CCCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1	ZINC000612159519	554743740	/nfs/dbraw/zinc/74/37/40/554743740.db2.gz	CGABCMDQIMCDPG-LJQANCHMSA-N	1	0	362.518	1.763	20	30		FDEDRO
CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CCC[C@@](C)(C#N)C2)CC1	ZINC000612270514	554756176	/nfs/dbraw/zinc/75/61/76/554756176.db2.gz	HHTHOTXLQBXNRW-IBGZPJMESA-N	1	0	372.473	1.631	20	30		FDEDRO
C=CCN(CCOC)c1nnc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1CC1CC1	ZINC000613080959	554880274	/nfs/dbraw/zinc/88/02/74/554880274.db2.gz	WRVUOXSRCRGPGM-SJORKVTESA-N	1	0	361.490	1.863	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1	ZINC000613352583	554916419	/nfs/dbraw/zinc/91/64/19/554916419.db2.gz	JOHAUPBYYIICSN-IBGZPJMESA-N	1	0	365.518	1.808	20	30		FDEDRO
CC1(C)CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@@H+]1CCO	ZINC000614920558	555136832	/nfs/dbraw/zinc/13/68/32/555136832.db2.gz	KCFFPSPHLYNKKA-UHFFFAOYSA-N	1	0	350.850	1.539	20	30		FDEDRO
C=C[C@@](C)(O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2	ZINC000615354295	555195285	/nfs/dbraw/zinc/19/52/85/555195285.db2.gz	NHEZGYHVHHRHLS-UYAOXDASSA-N	1	0	358.482	1.968	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)N[C@@H](C)C3CC[NH+](C)CC3)CC2)c1C#N	ZINC000615955496	555259320	/nfs/dbraw/zinc/25/93/20/555259320.db2.gz	YVYYMOCOBHIVMK-AWEZNQCLSA-N	1	0	373.505	1.162	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1	ZINC000617974312	555551469	/nfs/dbraw/zinc/55/14/69/555551469.db2.gz	ILINDORVMWONBN-IBGZPJMESA-N	1	0	358.486	1.881	20	30		FDEDRO
CN1CC[NH+](CCCCNC(=O)N[C@H]2CCc3cc(C#N)ccc32)CC1	ZINC000618816194	555680974	/nfs/dbraw/zinc/68/09/74/555680974.db2.gz	IIFSRMBXIVJJSQ-IBGZPJMESA-N	1	0	355.486	1.872	20	30		FDEDRO
C[C@@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)[C@@H]1CN(C)CCO1	ZINC000618966649	555702379	/nfs/dbraw/zinc/70/23/79/555702379.db2.gz	WDYYPBVJISRWMK-QAPCUYQASA-N	1	0	354.458	1.667	20	30		FDEDRO
CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@H](C)n3cnc(C#N)n3)c2)CC1	ZINC000619614896	555809872	/nfs/dbraw/zinc/80/98/72/555809872.db2.gz	FLBXRXVCOYVFEI-OAHLLOKOSA-N	1	0	367.457	1.880	20	30		FDEDRO
C=CCn1cc(CNC(=O)N2CCC(CC)([NH+]3CCOCC3)CC2)nn1	ZINC000624242332	556559510	/nfs/dbraw/zinc/55/95/10/556559510.db2.gz	JKBAERNVGCOEKX-UHFFFAOYSA-N	1	0	362.478	1.251	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CCN1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000625045549	556698695	/nfs/dbraw/zinc/69/86/95/556698695.db2.gz	NLHXGDYKIBPCTL-QGZVFWFLSA-N	1	0	367.449	1.083	20	30		FDEDRO
C=CCC1(CNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CCCC1	ZINC000627054165	557269341	/nfs/dbraw/zinc/26/93/41/557269341.db2.gz	WJSZYCGHWLUJDF-UHFFFAOYSA-N	1	0	363.506	1.475	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cn(C)nc2-c2ccco2)CC1	ZINC000627365928	557372691	/nfs/dbraw/zinc/37/26/91/557372691.db2.gz	CQDRZJIQASAVNZ-UHFFFAOYSA-N	1	0	357.414	1.385	20	30		FDEDRO
C=C1CC(C)(C(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)C1	ZINC000632480971	558161685	/nfs/dbraw/zinc/16/16/85/558161685.db2.gz	ABFCEVKYGNCADQ-UHFFFAOYSA-N	1	0	351.472	1.821	20	30		FDEDRO
C=CCn1c(COCCOC)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C	ZINC000634339398	558451918	/nfs/dbraw/zinc/45/19/18/558451918.db2.gz	FUYOLCXYVLBRKH-HOTGVXAUSA-N	1	0	351.495	1.794	20	30		FDEDRO
C=CCn1c(-c2nnn(C)c2C)nnc1N1CCC(CC)([NH+](C)C)CC1	ZINC000634341268	558453035	/nfs/dbraw/zinc/45/30/35/558453035.db2.gz	QMXWZUXNCVKFAQ-UHFFFAOYSA-N	1	0	358.494	1.879	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1C[C@H](O)CN1c1ccncn1)C(C)C	ZINC000635558496	558724474	/nfs/dbraw/zinc/72/44/74/558724474.db2.gz	ABMZQTIHVYRALG-OKZBNKHCSA-N	1	0	373.501	1.231	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000669118110	568047119	/nfs/dbraw/zinc/04/71/19/568047119.db2.gz	JXHRLHOETYGTHF-FUHWJXTLSA-N	1	0	359.470	1.332	20	30		FDEDRO
C=CCC[C@H](NC(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1)c1ccccc1	ZINC000669178280	568267293	/nfs/dbraw/zinc/26/72/93/568267293.db2.gz	CSMPDQRNOBCRCW-MOPGFXCFSA-N	1	0	371.481	1.743	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]CCn2cc(Br)cn2)cc1	ZINC000319133982	568591692	/nfs/dbraw/zinc/59/16/92/568591692.db2.gz	WQFHNCONLDWVLZ-CQSZACIVSA-N	1	0	365.231	1.547	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)CC1	ZINC000365392027	568603075	/nfs/dbraw/zinc/60/30/75/568603075.db2.gz	RGIUXLBMAAJMMN-VQIMIIECSA-N	1	0	373.501	1.405	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1	ZINC000652674421	568730189	/nfs/dbraw/zinc/73/01/89/568730189.db2.gz	WKIOGCMBZDBAHA-KZNAEPCWSA-N	1	0	359.470	1.112	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H](CN(C)C(=O)NCc2ccnn2C)[C@@H]1c1cnn(C)c1	ZINC000328635735	571325487	/nfs/dbraw/zinc/32/54/87/571325487.db2.gz	UYSLQAJJPWWCON-MAUKXSAKSA-N	1	0	373.505	1.973	20	30		FDEDRO
N#CCOc1ccc(C[NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)cc1	ZINC000737698054	598287908	/nfs/dbraw/zinc/28/79/08/598287908.db2.gz	SWXRBNSTFIEXSF-UHFFFAOYSA-N	1	0	361.369	1.102	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@@H](C)Oc1ccccc1-c1nn[nH]n1	ZINC000735374481	598295605	/nfs/dbraw/zinc/29/56/05/598295605.db2.gz	JHLYNJZQVWSLGQ-ZIAGYGMSSA-N	1	0	355.398	1.275	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)COc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000735397721	598360949	/nfs/dbraw/zinc/36/09/49/598360949.db2.gz	CSQHNQJAJMXJQX-UHFFFAOYSA-N	1	0	356.430	1.402	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1	ZINC000272383797	674437155	/nfs/dbraw/zinc/43/71/55/674437155.db2.gz	CBCJFQGJQGJUQM-YOEHRIQHSA-N	1	0	363.483	1.317	20	30		FDEDRO
C#CCCCNC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1	ZINC000819692965	599679502	/nfs/dbraw/zinc/67/95/02/599679502.db2.gz	LMDFQJZGSJVYPF-UHFFFAOYSA-N	1	0	355.446	1.353	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@]2(C)CCC[NH2+]C2)c1	ZINC000273038632	674499041	/nfs/dbraw/zinc/49/90/41/674499041.db2.gz	UPFCZUFZBYOJIH-KRWDZBQOSA-N	1	0	351.472	1.270	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC000825866253	607710331	/nfs/dbraw/zinc/71/03/31/607710331.db2.gz	UEUZLRFCOSJORG-UHFFFAOYSA-N	1	0	364.413	1.270	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1cccc(C#N)c1	ZINC000824568807	608489743	/nfs/dbraw/zinc/48/97/43/608489743.db2.gz	DBGIIFXMLXECBG-SUMWQHHRSA-N	1	0	364.409	1.829	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2nc(C)c(C)s2)CC1	ZINC000286388426	675895319	/nfs/dbraw/zinc/89/53/19/675895319.db2.gz	DEOVEEILEQRWCL-UHFFFAOYSA-N	1	0	350.488	1.185	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+](C)[C@H](C)C[S@@](C)=O)c(OC)c1	ZINC000274437881	674592284	/nfs/dbraw/zinc/59/22/84/674592284.db2.gz	IISLXVBXXHUWMV-ROYPQONJSA-N	1	0	355.500	1.862	20	30		FDEDRO
CSCC[C@H]([NH2+]CCC(=O)N(C)CCC#N)c1nnc2ccccn21	ZINC000275144004	674609752	/nfs/dbraw/zinc/60/97/52/674609752.db2.gz	FGFXTJCIYBIJBX-AWEZNQCLSA-N	1	0	360.487	1.875	20	30		FDEDRO
COC(=O)c1csc(-c2cccc(CNC(=[NH2+])N3CCOCC3)c2)n1	ZINC000276595916	674738094	/nfs/dbraw/zinc/73/80/94/674738094.db2.gz	HCXVOBCFTCFTBF-UHFFFAOYSA-N	1	0	360.439	1.744	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(F)c1)S(=O)(=O)c1cccnc1C#N	ZINC000277022705	674835830	/nfs/dbraw/zinc/83/58/30/674835830.db2.gz	MZOGVGGVQPJQNX-UHFFFAOYSA-N	1	0	362.430	1.845	20	30		FDEDRO
C[NH+](C)[C@@H]1CCCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1	ZINC000277098956	674856274	/nfs/dbraw/zinc/85/62/74/674856274.db2.gz	CGWSKDSCDGDRDP-QGZVFWFLSA-N	1	0	363.483	1.416	20	30		FDEDRO
NC(=NOC[C@@H]1CCS(=O)(=O)C1)c1ccccc1C[NH+]1CCCCC1	ZINC000278553717	675152869	/nfs/dbraw/zinc/15/28/69/675152869.db2.gz	BTCJHWMSYVMELN-HNNXBMFYSA-N	1	0	365.499	1.744	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NCCC[NH+]2CCCC2)ccc1F	ZINC000074457579	671412140	/nfs/dbraw/zinc/41/21/40/671412140.db2.gz	YUWYTVYHDYPJGQ-UHFFFAOYSA-N	1	0	369.462	1.506	20	30		FDEDRO
CC1CCN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C[C@H]2CCCO2)CC1	ZINC000074549977	671412536	/nfs/dbraw/zinc/41/25/36/671412536.db2.gz	FVXUCMAJVQMHMH-JKSUJKDBSA-N	1	0	357.520	1.278	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCO[C@@H](c3ccsc3)C2)CC1	ZINC000286756599	675903984	/nfs/dbraw/zinc/90/39/84/675903984.db2.gz	SZHKKAWFRRHPNN-MRXNPFEDSA-N	1	0	363.483	1.415	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCO[C@H](c3ccsc3)C2)CC1	ZINC000286756596	675904011	/nfs/dbraw/zinc/90/40/11/675904011.db2.gz	SZHKKAWFRRHPNN-INIZCTEOSA-N	1	0	363.483	1.415	20	30		FDEDRO
CC(C)COCCCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000089120196	671491593	/nfs/dbraw/zinc/49/15/93/671491593.db2.gz	URUHEQKJGLVAPB-OAHLLOKOSA-N	1	0	354.495	1.930	20	30		FDEDRO
C[NH+]=C(NCC1(C(=O)N(C)C)CCCC1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	ZINC000088899165	671491695	/nfs/dbraw/zinc/49/16/95/671491695.db2.gz	XFJMSIPRJFEBCQ-ZNMIVQPWSA-N	1	0	350.507	1.614	20	30		FDEDRO
C=CCc1cc(OC)cc(C[N@H+]2CC[C@H](S(=O)(=O)NCC)C2)c1O	ZINC000092304356	671515990	/nfs/dbraw/zinc/51/59/90/671515990.db2.gz	LBBPCEVAWAHIRR-INIZCTEOSA-N	1	0	354.472	1.643	20	30		FDEDRO
CC(C)CCNC(=[NH2+])NCCCN1CCN(C(=O)OC(C)(C)C)CC1	ZINC000104174997	671594642	/nfs/dbraw/zinc/59/46/42/671594642.db2.gz	HZOLYSBGMLSYGG-UHFFFAOYSA-N	1	0	355.527	1.880	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1	ZINC000105417162	671601406	/nfs/dbraw/zinc/60/14/06/671601406.db2.gz	JJARTXGGJNRIQC-AWEZNQCLSA-N	1	0	359.451	1.957	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)oc1C	ZINC000121492541	671705723	/nfs/dbraw/zinc/70/57/23/671705723.db2.gz	NFJJMQBDAZJPAD-ZDUSSCGKSA-N	1	0	370.471	1.729	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1	ZINC000125725098	671750877	/nfs/dbraw/zinc/75/08/77/671750877.db2.gz	UVOQIAMJVNGYCB-UHFFFAOYSA-N	1	0	361.471	1.660	20	30		FDEDRO
CCc1ccc(NC(=[NH2+])NC[C@@H](O)CS(=O)(=O)c2cccs2)cc1	ZINC000130775240	671797753	/nfs/dbraw/zinc/79/77/53/671797753.db2.gz	HVWBWEKOMZLLPE-CQSZACIVSA-N	1	0	367.496	1.872	20	30		FDEDRO
CC[C@H](CS(=O)(=O)c1ccccc1)NC(=[NH2+])NC[C@H]1CCCN1CC	ZINC000130860758	671798260	/nfs/dbraw/zinc/79/82/60/671798260.db2.gz	DVLRPRFXWZUUQP-HZPDHXFCSA-N	1	0	366.531	1.628	20	30		FDEDRO
CCc1nsc(N2CCN(C(NCc3ccnc(C)n3)=[NH+]C)CC2)n1	ZINC000153154596	671896289	/nfs/dbraw/zinc/89/62/89/671896289.db2.gz	QIWLKYGAIHLUDQ-UHFFFAOYSA-N	1	0	360.491	1.097	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2NS(C)(=O)=O)cc1	ZINC000154290105	671919635	/nfs/dbraw/zinc/91/96/35/671919635.db2.gz	WTLIEWMHNIWUOI-KMFMINBZSA-N	1	0	351.472	1.785	20	30		FDEDRO
CC[NH+]=C(NC[C@H]1CCCS1)NCC1CCN(S(C)(=O)=O)CC1	ZINC000157367921	671968268	/nfs/dbraw/zinc/96/82/68/671968268.db2.gz	SPUHBLFLBXRGQT-CQSZACIVSA-N	1	0	362.565	1.109	20	30		FDEDRO
COCCC[N@H+](CCCOc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000171923632	672061281	/nfs/dbraw/zinc/06/12/81/672061281.db2.gz	XECGQUQDPCREBX-QGZVFWFLSA-N	1	0	366.483	1.853	20	30		FDEDRO
C#CCCCNC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1	ZINC000173332557	672079292	/nfs/dbraw/zinc/07/92/92/672079292.db2.gz	BOXNUURQTLXTBF-UHFFFAOYSA-N	1	0	350.507	1.525	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1	ZINC000177449962	672125828	/nfs/dbraw/zinc/12/58/28/672125828.db2.gz	QHBJJOUXCJBROZ-CVEARBPZSA-N	1	0	363.483	1.201	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](C[NH3+])C2)ccc1F	ZINC000237859546	672429529	/nfs/dbraw/zinc/42/95/29/672429529.db2.gz	KPBWUKKVHLIUHD-GFCCVEGCSA-N	1	0	355.435	1.101	20	30		FDEDRO
C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@@H]1C	ZINC000246207319	672509396	/nfs/dbraw/zinc/50/93/96/672509396.db2.gz	RHGBJPNFEAWOAH-RYUDHWBXSA-N	1	0	357.863	1.287	20	30		FDEDRO
CC[NH+]=C(NCc1ccccc1C)NCC1CCN(S(C)(=O)=O)CC1	ZINC000261599828	672632868	/nfs/dbraw/zinc/63/28/68/672632868.db2.gz	BCVWOFKCTZKGRT-UHFFFAOYSA-N	1	0	366.531	1.722	20	30		FDEDRO
C[NH+]=C(NCc1cnn(C)c1)N(C)Cc1cc(Br)cn1C	ZINC000261663203	672645822	/nfs/dbraw/zinc/64/58/22/672645822.db2.gz	BDNWSTZRBHCQBS-UHFFFAOYSA-N	1	0	353.268	1.729	20	30		FDEDRO
C[NH+]=C(NCc1nnc(C)n1C)N[C@@H]1CCN(c2cccc(Cl)c2)C1	ZINC000261665099	672646413	/nfs/dbraw/zinc/64/64/13/672646413.db2.gz	GHJZNYMWFIMCEZ-CQSZACIVSA-N	1	0	361.881	1.721	20	30		FDEDRO
C[NH+]=C(NCCS(C)(=O)=O)N1CCN(C2CCC(C(C)C)CC2)CC1	ZINC000261725087	672659279	/nfs/dbraw/zinc/65/92/79/672659279.db2.gz	ITCHARNVGIHMPS-UHFFFAOYSA-N	1	0	372.579	1.439	20	30		FDEDRO
C[NH+]=C(NCc1ccc(C)s1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1	ZINC000261799484	672673850	/nfs/dbraw/zinc/67/38/50/672673850.db2.gz	RIMWXSVLBAMPTP-QGZVFWFLSA-N	1	0	363.487	1.442	20	30		FDEDRO
CC[C@]1(C)CCN(C(NCCNS(=O)(=O)c2cccs2)=[NH+]C)C1	ZINC000261805321	672675269	/nfs/dbraw/zinc/67/52/69/672675269.db2.gz	RYWFICUVYSPWRI-OAHLLOKOSA-N	1	0	358.533	1.724	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(C)s1)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261826414	672679316	/nfs/dbraw/zinc/67/93/16/672679316.db2.gz	UXGPPIYLABIPSI-UHFFFAOYSA-N	1	0	360.487	1.604	20	30		FDEDRO
CC[NH+]=C(NCCOc1ncccc1F)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261941552	672698233	/nfs/dbraw/zinc/69/82/33/672698233.db2.gz	DPPFCNQJTVPEJQ-UHFFFAOYSA-N	1	0	372.466	1.074	20	30		FDEDRO
CC[NH+]=C(NC[C@H](C)N1CCCC[C@H]1C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261942069	672698413	/nfs/dbraw/zinc/69/84/13/672698413.db2.gz	DSLSCYONSQBPBN-CVEARBPZSA-N	1	0	372.579	1.724	20	30		FDEDRO
C[NH+]=C(NC[C@H](C)N1CCCC[C@H]1C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261944418	672698576	/nfs/dbraw/zinc/69/85/76/672698576.db2.gz	FKBXJXPMXJLUJQ-CABCVRRESA-N	1	0	358.552	1.334	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(OC)c(O)c1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261944908	672699229	/nfs/dbraw/zinc/69/92/29/672699229.db2.gz	FNYXESCUAWAVQT-UHFFFAOYSA-N	1	0	369.487	1.375	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)N[C@@H]1CCN(C(=O)CC)C1	ZINC000261966243	672703828	/nfs/dbraw/zinc/70/38/28/672703828.db2.gz	LNMKAZSRAXGWIF-YALNPMBYSA-N	1	0	350.507	1.756	20	30		FDEDRO
CC[NH+]=C(NCCOc1ccccc1F)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261981295	672706575	/nfs/dbraw/zinc/70/65/75/672706575.db2.gz	OXGLLMCLOBMNAM-UHFFFAOYSA-N	1	0	371.478	1.679	20	30		FDEDRO
CC[NH+]=C(NCCc1cc(F)ccc1F)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261999746	672709320	/nfs/dbraw/zinc/70/93/20/672709320.db2.gz	UBVZKXYXXPPDLP-UHFFFAOYSA-N	1	0	373.469	1.982	20	30		FDEDRO
C[NH+]=C(NC[C@]1(O)CCSC1)N[C@@H]1CCN(c2ncccc2Cl)C1	ZINC000262004510	672710683	/nfs/dbraw/zinc/71/06/83/672710683.db2.gz	VFJAWKNVDZLIIU-MLGOLLRUSA-N	1	0	369.922	1.347	20	30		FDEDRO
CC[NH+]=C(NCCN1CCCC[C@H]1C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000262019953	672713051	/nfs/dbraw/zinc/71/30/51/672713051.db2.gz	YNYKDGXLIQZQFO-OAHLLOKOSA-N	1	0	358.552	1.335	20	30		FDEDRO
NS(=O)(=O)c1ccc(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)s1	ZINC000262180006	672741740	/nfs/dbraw/zinc/74/17/40/672741740.db2.gz	BLUOLNBHKLXNBL-UHFFFAOYSA-N	1	0	350.469	1.811	20	30		FDEDRO
CC[C@@H](C)[NH+]=C(NCC(=O)N(C)C)N1CCN(c2cccs2)CC1	ZINC000262275165	672760033	/nfs/dbraw/zinc/76/00/33/672760033.db2.gz	HSUMIZAGHPULAD-CQSZACIVSA-N	1	0	351.520	1.702	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N[C@H]1CCOc2ccc(F)cc21	ZINC000262355723	672775803	/nfs/dbraw/zinc/77/58/03/672775803.db2.gz	FVWRKFQERZXQRV-RISCZKNCSA-N	1	0	355.435	1.249	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N(C)Cc1cc(F)c(F)c(F)c1	ZINC000262384108	672780915	/nfs/dbraw/zinc/78/09/15/672780915.db2.gz	KYYHYVVQUUDYCK-SNVBAGLBSA-N	1	0	363.405	1.546	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)NC[C@]1(C)CCCC[C@H]1O	ZINC000262389560	672781609	/nfs/dbraw/zinc/78/16/09/672781609.db2.gz	LXGVOSHVLKUUNJ-UXLLHSPISA-N	1	0	359.536	1.306	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@@]1(C)OCCc2sccc21	ZINC000262406137	672784340	/nfs/dbraw/zinc/78/43/40/672784340.db2.gz	WNPVTGYUBCEPGO-QGZVFWFLSA-N	1	0	352.504	1.033	20	30		FDEDRO
C[C@@H]1CCCC[C@@H]1[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)NC[C@@H]1CCCO1	ZINC000262448660	672791104	/nfs/dbraw/zinc/79/11/04/672791104.db2.gz	VPWFOXRPIIWUDU-QZWWFDLISA-N	1	0	371.547	1.714	20	30		FDEDRO
C[NH+]=C(NC[C@H]1COCCO1)N1CCN(c2cccc(Cl)c2)CC1	ZINC000262581467	672810931	/nfs/dbraw/zinc/81/09/31/672810931.db2.gz	QXXGNLWZAZBATJ-INIZCTEOSA-N	1	0	352.866	1.453	20	30		FDEDRO
CN(C)C(=[NH+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)N(C)C	ZINC000262675046	672828912	/nfs/dbraw/zinc/82/89/12/672828912.db2.gz	STVMEDCSIKTJHQ-UHFFFAOYSA-N	1	0	367.302	1.751	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NC[C@@H]2CCCCN2S(C)(=O)=O)cc1OC	ZINC000262684527	672829872	/nfs/dbraw/zinc/82/98/72/672829872.db2.gz	XTMCHSKEOOWALD-ZDUSSCGKSA-N	1	0	370.475	1.245	20	30		FDEDRO
C[NH+]=C(NCc1cc2c(c(Br)c1)OCO2)NC[C@H]1CCOC1	ZINC000262774341	672847497	/nfs/dbraw/zinc/84/74/97/672847497.db2.gz	HYKFALVQQNNHJR-SNVBAGLBSA-N	1	0	370.247	1.879	20	30		FDEDRO
CN(C)C(=[NH+]Cc1ccccc1S(=O)(=O)N1CCCCC1)N(C)C	ZINC000262947813	672855562	/nfs/dbraw/zinc/85/55/62/672855562.db2.gz	BBVKDNULFQVBLX-UHFFFAOYSA-N	1	0	352.504	1.840	20	30		FDEDRO
CS(=O)(=O)CC1(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CCC1	ZINC000263066782	672860615	/nfs/dbraw/zinc/86/06/15/672860615.db2.gz	GGVUGVYPNGGWRG-UHFFFAOYSA-N	1	0	367.471	1.789	20	30		FDEDRO
[NH2+]=C(NCc1nnc(C2CC2)[nH]1)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000263135043	672863409	/nfs/dbraw/zinc/86/34/09/672863409.db2.gz	NOJKFBABUYPWST-UHFFFAOYSA-N	1	0	359.865	1.972	20	30		FDEDRO
COCCNC(=[NH2+])NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1	ZINC000264083953	672900631	/nfs/dbraw/zinc/90/06/31/672900631.db2.gz	IHQNDFVEPQJTHB-DOMZBBRYSA-N	1	0	372.872	1.792	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NCC1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000264132747	672902374	/nfs/dbraw/zinc/90/23/74/672902374.db2.gz	YLAMGGBBLBPQEA-AWEZNQCLSA-N	1	0	368.503	1.027	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CCNS(=O)(=O)c1ccccc1	ZINC000264276011	672906582	/nfs/dbraw/zinc/90/65/82/672906582.db2.gz	TVBNVLBGIXBYPL-UHFFFAOYSA-N	1	0	366.487	1.049	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)/C=C/C[NH+](C)C)cc1	ZINC000264660651	672920714	/nfs/dbraw/zinc/92/07/14/672920714.db2.gz	VNODETAIKVJNKR-BCGFRQHJSA-N	1	0	364.471	1.556	20	30		FDEDRO
C#CCOc1ccc(C[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)cc1	ZINC000264982286	672927427	/nfs/dbraw/zinc/92/74/27/672927427.db2.gz	UVMQXBKPPJQHBA-INIZCTEOSA-N	1	0	353.344	1.972	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)C[C@@H](C)C(=O)NC)c(OC)c1	ZINC000267046404	673239838	/nfs/dbraw/zinc/23/98/38/673239838.db2.gz	FBRGQRXRYXBRBS-ZBFHGGJFSA-N	1	0	350.459	1.477	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCCCn2ccnc2C)CC1	ZINC000267402406	673299826	/nfs/dbraw/zinc/29/98/26/673299826.db2.gz	GFIOAEFCONUXLE-UHFFFAOYSA-N	1	0	350.467	1.497	20	30		FDEDRO
CS(=O)(=O)CCOCCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1	ZINC000267450537	673305493	/nfs/dbraw/zinc/30/54/93/673305493.db2.gz	RJQVWOCMGKXISR-UHFFFAOYSA-N	1	0	369.365	1.373	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2csc([C@H](C)OC)n2)CC1	ZINC000267657302	673318368	/nfs/dbraw/zinc/31/83/68/673318368.db2.gz	MERDVJMZMKOJNA-NSHDSACASA-N	1	0	369.491	1.876	20	30		FDEDRO
Cc1sc(NC(=O)CN(C)CCC[N@@H+](C)CCN(C)C)c(C#N)c1C	ZINC000289499883	676145759	/nfs/dbraw/zinc/14/57/59/676145759.db2.gz	UBASYRDIYGXPBX-UHFFFAOYSA-N	1	0	365.547	1.990	20	30		FDEDRO
COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)c(C)c1	ZINC000289726339	676171817	/nfs/dbraw/zinc/17/18/17/676171817.db2.gz	XLSMSZIQMHXYQR-UHFFFAOYSA-N	1	0	365.499	1.988	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CNS(=O)(=O)c2ccc(C)cc2)CC1	ZINC000290305122	676196359	/nfs/dbraw/zinc/19/63/59/676196359.db2.gz	TZESWJDQFQWQOF-UHFFFAOYSA-N	1	0	351.472	1.040	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@](C)(C(=O)NC)C1)C(C)C	ZINC000281901405	675575476	/nfs/dbraw/zinc/57/54/76/675575476.db2.gz	FMPWLIJGTMQHCR-APWZRJJASA-N	1	0	350.507	1.853	20	30		FDEDRO
CC[NH+](CC)Cc1ccc(CNS(=O)(=O)N(C)C[C@H](C)C#N)cc1	ZINC000282993600	675646252	/nfs/dbraw/zinc/64/62/52/675646252.db2.gz	YFJFIGBKVQHNAZ-OAHLLOKOSA-N	1	0	352.504	1.954	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NC[C@@H]1CCSC1)C(C)C	ZINC000284158418	675673053	/nfs/dbraw/zinc/67/30/53/675673053.db2.gz	SVLHPJOERRZFCX-JKSUJKDBSA-N	1	0	353.532	1.671	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)NCCc1nccs1)C(C)C	ZINC000284189698	675673272	/nfs/dbraw/zinc/67/32/72/675673272.db2.gz	VMKAKWFYERGUNJ-HNNXBMFYSA-N	1	0	364.515	1.617	20	30		FDEDRO
C#CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1	ZINC000285102703	675798604	/nfs/dbraw/zinc/79/86/04/675798604.db2.gz	LXHMXDNTQRZHGO-JQHSSLGASA-N	1	0	362.495	1.245	20	30		FDEDRO
CN(CCC#N)c1ccc(C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1	ZINC000292890087	676325506	/nfs/dbraw/zinc/32/55/06/676325506.db2.gz	YVBXAVONPRASHO-QGZVFWFLSA-N	1	0	350.488	1.502	20	30		FDEDRO
CC(C)[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C1(CO)CCC1	ZINC000292964419	676332575	/nfs/dbraw/zinc/33/25/75/676332575.db2.gz	FZRLIJUFCDEQKO-INIZCTEOSA-N	1	0	351.472	1.504	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(OC)c(Cl)cc1OC	ZINC000293232302	676339274	/nfs/dbraw/zinc/33/92/74/676339274.db2.gz	CJXJEQHOHMHNAR-UHFFFAOYSA-N	1	0	367.833	1.367	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(OCC)c(Cl)c1	ZINC000293479829	676352475	/nfs/dbraw/zinc/35/24/75/676352475.db2.gz	VLQKTVXZLUBWAY-UHFFFAOYSA-N	1	0	351.834	1.749	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C	ZINC000293969474	676373071	/nfs/dbraw/zinc/37/30/71/676373071.db2.gz	LYHFGXGJWCXUIQ-UHFFFAOYSA-N	1	0	350.772	1.935	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCCC[C@@H]2CCC[NH2+]2)c1	ZINC000294961787	676398780	/nfs/dbraw/zinc/39/87/80/676398780.db2.gz	WQPGVFZWQVNMOR-HNNXBMFYSA-N	1	0	351.472	1.413	20	30		FDEDRO
CN(CC[N@H+](C)CCCSCC#N)c1ccc(S(N)(=O)=O)cc1	ZINC000295250353	676403253	/nfs/dbraw/zinc/40/32/53/676403253.db2.gz	QLJXADLIFOPBAB-UHFFFAOYSA-N	1	0	356.517	1.349	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H](C)[C@H]([NH3+])[C@@H]2C)ccc1F	ZINC000297436419	676426132	/nfs/dbraw/zinc/42/61/32/676426132.db2.gz	UHRLPXFMACMJLZ-MKBNYLNASA-N	1	0	369.462	1.488	20	30		FDEDRO
CC(C)CCC[C@H](C)NC(=[NH2+])NCCc1ccc(S(N)(=O)=O)cc1	ZINC000303702793	676542555	/nfs/dbraw/zinc/54/25/55/676542555.db2.gz	IZGWYFGRYVAMDJ-AWEZNQCLSA-N	1	0	354.520	1.996	20	30		FDEDRO
COCCNS(=O)(=O)c1ccc(CNC(=[NH2+])N2CCC[C@@H](C)C2)cc1	ZINC000303875375	676543522	/nfs/dbraw/zinc/54/35/22/676543522.db2.gz	HPHVXLCNFVCDON-CQSZACIVSA-N	1	0	368.503	1.158	20	30		FDEDRO
CC[C@@H](C)c1ccc(NC(=[NH2+])NCCS(=O)(=O)N2CCOCC2)cc1	ZINC000303981966	676543890	/nfs/dbraw/zinc/54/38/90/676543890.db2.gz	PRUSRPMAIJZESA-CQSZACIVSA-N	1	0	368.503	1.589	20	30		FDEDRO
CCO[C@@H]1C[C@@H](NC(NCCN2CCOCC2)=[NH+]C)C12CCCCC2	ZINC000304738920	676544145	/nfs/dbraw/zinc/54/41/45/676544145.db2.gz	SVFVOVNATCQAJQ-IAGOWNOFSA-N	1	0	352.523	1.612	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@]2(C)CCCC[C@@H]2O)CC1	ZINC000304714745	676544204	/nfs/dbraw/zinc/54/42/04/676544204.db2.gz	MWTWSMLJLVEEDW-KSSFIOAISA-N	1	0	354.495	1.795	20	30		FDEDRO
C[C@@H]1CN(CCN(C)C(=O)NCc2ncnn2C(C)(C)C)C[C@H](C)O1	ZINC000328775799	676606297	/nfs/dbraw/zinc/60/62/97/676606297.db2.gz	FJELCGOOKMOIEV-OKILXGFUSA-N	1	0	352.483	1.488	20	30		FDEDRO
C[C@@H](CNC(=O)CN1C(=O)CSc2ccccc21)N1CC[NH+](C)CC1	ZINC000328793565	676607199	/nfs/dbraw/zinc/60/71/99/676607199.db2.gz	RZTWTDQVUYEQPX-AWEZNQCLSA-N	1	0	362.499	1.718	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)NC[C@H]2CCCN2S(C)(=O)=O)CCCCC1	ZINC000328803310	676607563	/nfs/dbraw/zinc/60/75/63/676607563.db2.gz	MOYOFVGEGPDRDS-CQSZACIVSA-N	1	0	360.524	1.179	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C1	ZINC000329058054	676617809	/nfs/dbraw/zinc/61/78/09/676617809.db2.gz	MQKVWIJYIQRYHL-WCVJEAGWSA-N	1	0	352.479	1.095	20	30		FDEDRO
C[C@H](NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O)C1=CC[N@H+](C)CC1	ZINC000329081957	676618966	/nfs/dbraw/zinc/61/89/66/676618966.db2.gz	RZDPWJVNGIIXSM-ITQYTPKQSA-N	1	0	351.491	1.803	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000329220375	676626214	/nfs/dbraw/zinc/62/62/14/676626214.db2.gz	BFWMZWXFSMUMEU-JKSUJKDBSA-N	1	0	351.495	1.117	20	30		FDEDRO
C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)C1	ZINC000329231201	676626988	/nfs/dbraw/zinc/62/69/88/676626988.db2.gz	KLNRDMVOAFPYPE-XUWVNRHRSA-N	1	0	353.463	1.222	20	30		FDEDRO
O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)N1CC[C@@H]([NH+]2CCCCC2)C1	ZINC000329237390	676627640	/nfs/dbraw/zinc/62/76/40/676627640.db2.gz	KFYSQZVYZCFORG-CHWSQXEVSA-N	1	0	362.396	1.624	20	30		FDEDRO
CC[C@@H](NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)N1CCOCC1	ZINC000329272429	676629874	/nfs/dbraw/zinc/62/98/74/676629874.db2.gz	IMOKVXVCWRTYKC-VFSICIBPSA-N	1	0	352.479	1.095	20	30		FDEDRO
CC[C@H](NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C)C(=O)N1CCOCC1	ZINC000329290923	676631430	/nfs/dbraw/zinc/63/14/30/676631430.db2.gz	QSMISQACBKSVIG-XHSDSOJGSA-N	1	0	352.479	1.096	20	30		FDEDRO
CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)C1	ZINC000329298574	676631981	/nfs/dbraw/zinc/63/19/81/676631981.db2.gz	ULIGOFCJMAIOLK-LVQVYYBASA-N	1	0	353.463	1.078	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)CSCc3ccncc3)CC2)C1=O	ZINC000329349313	676634509	/nfs/dbraw/zinc/63/45/09/676634509.db2.gz	WJULBHVOHZXMPX-MRXNPFEDSA-N	1	0	362.499	1.966	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O	ZINC000329409737	676637528	/nfs/dbraw/zinc/63/75/28/676637528.db2.gz	BPRHXEDIAAHHBM-ICUGJSFKSA-N	1	0	353.507	1.883	20	30		FDEDRO
CC(C)(CNC(=O)C[N@@H+]1CCCC2(CCOCC2)C1)N1CCOCC1	ZINC000329540672	676643195	/nfs/dbraw/zinc/64/31/95/676643195.db2.gz	CZZGGWLVMFPUOV-UHFFFAOYSA-N	1	0	353.507	1.946	20	30		FDEDRO
CCNC(=O)NC1(C(=O)N2CCO[C@@H]3CC[N@H+](CC)C[C@@H]32)CCCC1	ZINC000329547199	676643575	/nfs/dbraw/zinc/64/35/75/676643575.db2.gz	OLJUFQZHQDGCQC-LSDHHAIUSA-N	1	0	352.479	1.144	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)[C@H](C)C1	ZINC000329577851	676644823	/nfs/dbraw/zinc/64/48/23/676644823.db2.gz	WEMNTAHJMFXQJJ-JYYAWHABSA-N	1	0	357.520	1.342	20	30		FDEDRO
C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)N[C@@H]1CCO[C@]2(CCSC2)C1	ZINC000329600254	676645692	/nfs/dbraw/zinc/64/56/92/676645692.db2.gz	KBHQLYKJVRDFLL-YFHUEUNASA-N	1	0	369.531	1.750	20	30		FDEDRO
C[C@@H]1CCC[C@](CNC(=O)NC[C@@H]2CCCCS2(=O)=O)([NH+](C)C)C1	ZINC000329615385	676646239	/nfs/dbraw/zinc/64/62/39/676646239.db2.gz	DFSLDNGASZRQOU-VYDXJSESSA-N	1	0	359.536	1.968	20	30		FDEDRO
O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCC(F)(F)[C@@H](CO)C1	ZINC000329792351	676656864	/nfs/dbraw/zinc/65/68/64/676656864.db2.gz	FLAVUMKRDIICPR-CQSZACIVSA-N	1	0	361.433	1.495	20	30		FDEDRO
COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CCC[N@@H+](C(C)C)CC1)CC2	ZINC000329807912	676657982	/nfs/dbraw/zinc/65/79/82/676657982.db2.gz	OYSILONPXAAGBX-CQSZACIVSA-N	1	0	350.467	1.069	20	30		FDEDRO
CN1CCO[C@H](C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)C1	ZINC000329838944	676659942	/nfs/dbraw/zinc/65/99/42/676659942.db2.gz	NPUNMVCMMHFNIH-AWEZNQCLSA-N	1	0	357.407	1.284	20	30		FDEDRO
C[N@@H+](CC(=O)NC1CCOCC1)C[C@@H]1C[C@H](F)CN1c1ccncn1	ZINC000329941870	676664755	/nfs/dbraw/zinc/66/47/55/676664755.db2.gz	GWZFGEUKSZIQKT-ZFWWWQNUSA-N	1	0	351.426	1.461	20	30		FDEDRO
CN(CC(=O)NCC1CC[NH+](C2CC2)CC1)S(=O)(=O)c1cccnc1	ZINC000329942615	676664937	/nfs/dbraw/zinc/66/49/37/676664937.db2.gz	HHVXLWNWBMXFJZ-UHFFFAOYSA-N	1	0	366.487	1.533	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)CC1	ZINC000329988039	676667524	/nfs/dbraw/zinc/66/75/24/676667524.db2.gz	TWXXNGSLRWMXIV-BBRMVZONSA-N	1	0	355.504	1.632	20	30		FDEDRO
O=C(NCc1ccc(CN2CCOCC2)cc1)N[C@@H]1CC[S@@](=O)C1	ZINC000330034136	676669405	/nfs/dbraw/zinc/66/94/05/676669405.db2.gz	WEBLGCQWZJTSDD-GYCJOSAFSA-N	1	0	351.472	1.043	20	30		FDEDRO
C[NH+](C)[C@@]1(CNC(=O)N2CCn3c(nnc3C3CC3)C2)CCSC1	ZINC000330065912	676670822	/nfs/dbraw/zinc/67/08/22/676670822.db2.gz	DIOBVZMBJYWPQU-MRXNPFEDSA-N	1	0	350.492	1.322	20	30		FDEDRO
C[C@H](CNC(=O)N1CC(=O)N(CC(F)(F)F)C1)[NH+]1CCC(C)CC1	ZINC000330136328	676674692	/nfs/dbraw/zinc/67/46/92/676674692.db2.gz	NFXAKQLPGOOUIA-GFCCVEGCSA-N	1	0	350.385	1.685	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CN2CCOCC2)C1	ZINC000330371615	676685948	/nfs/dbraw/zinc/68/59/48/676685948.db2.gz	ALOYOQKSRDUPMX-JENIJYKNSA-N	1	0	350.507	1.474	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCC(O)(C(F)(F)F)CC1)C[NH+]1CCN(C)CC1	ZINC000330698470	676701136	/nfs/dbraw/zinc/70/11/36/676701136.db2.gz	GNJHIOJHXOLTAE-ZDUSSCGKSA-N	1	0	366.428	1.173	20	30		FDEDRO
C[NH+](C)CC1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1	ZINC000330757995	676703076	/nfs/dbraw/zinc/70/30/76/676703076.db2.gz	LJKXFKXMAHACHM-FJBKBRRZSA-N	1	0	374.551	1.471	20	30		FDEDRO
Cc1cc(S(N)(=O)=O)cc(NC(=O)N2CCC([NH+](C)C)CC2)c1C	ZINC000330825110	676705404	/nfs/dbraw/zinc/70/54/04/676705404.db2.gz	OMRGGYKBJAPKQY-UHFFFAOYSA-N	1	0	354.476	1.522	20	30		FDEDRO
CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCc1cccc(NS(C)(=O)=O)c1	ZINC000330837384	676705920	/nfs/dbraw/zinc/70/59/20/676705920.db2.gz	IPQYVONAHSWWJG-MRXNPFEDSA-N	1	0	368.503	1.744	20	30		FDEDRO
Cc1ccc(S(C)(=O)=O)cc1C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1	ZINC000330845716	676706237	/nfs/dbraw/zinc/70/62/37/676706237.db2.gz	ZRZZEDZUXBAHMA-HNNXBMFYSA-N	1	0	368.499	1.796	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1	ZINC000330905010	676709142	/nfs/dbraw/zinc/70/91/42/676709142.db2.gz	USWOTJQUPQYZMF-DZGCQCFKSA-N	1	0	356.517	1.811	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1	ZINC000331187084	676720810	/nfs/dbraw/zinc/72/08/10/676720810.db2.gz	PBNSMQAKWNBQIA-CABCVRRESA-N	1	0	358.508	1.001	20	30		FDEDRO
CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)C1	ZINC000331201058	676721485	/nfs/dbraw/zinc/72/14/85/676721485.db2.gz	AQYOTBUGTKADMV-PMPSAXMXSA-N	1	0	374.551	1.423	20	30		FDEDRO
C[C@@H]1C[C@H](N(C)C(=O)Nc2ccccc2S(=O)(=O)N(C)C)CC[N@@H+]1C	ZINC000331253263	676724156	/nfs/dbraw/zinc/72/41/56/676724156.db2.gz	REZMBJGVTOYRDP-ZIAGYGMSSA-N	1	0	368.503	1.897	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1	ZINC000331965369	676735828	/nfs/dbraw/zinc/73/58/28/676735828.db2.gz	IYZMJLLGBLZYGJ-YOEHRIQHSA-N	1	0	363.483	1.317	20	30		FDEDRO
CC[C@@H](CNS(=O)(=O)N(C)[C@@H](C)CC#N)[N@@H+]1CCc2ccccc2C1	ZINC000332669948	676743742	/nfs/dbraw/zinc/74/37/42/676743742.db2.gz	HNQWUGLZUGVSKO-YJBOKZPZSA-N	1	0	364.515	1.892	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N([C@H]2CC[N@@H+](CCCOCC)C[C@H]2C)C1=O	ZINC000348578443	676786971	/nfs/dbraw/zinc/78/69/71/676786971.db2.gz	WKCOAHOEYZOJOR-PMPSAXMXSA-N	1	0	353.463	1.246	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000362164925	676910595	/nfs/dbraw/zinc/91/05/95/676910595.db2.gz	WPNBUWGBPSQZSB-COXVUDFISA-N	1	0	367.446	1.570	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)C1	ZINC000363067265	676933031	/nfs/dbraw/zinc/93/30/31/676933031.db2.gz	CXUMMQUGDOVQBR-HNNXBMFYSA-N	1	0	366.462	1.098	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)CN1CCC(CC[NH+]2CCOCC2)CC1	ZINC000363635106	676966460	/nfs/dbraw/zinc/96/64/60/676966460.db2.gz	RSMDPUYOMSWGBH-LJQANCHMSA-N	1	0	350.507	1.475	20	30		FDEDRO
CC(C)[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3)C2)CC1	ZINC000363920311	676978884	/nfs/dbraw/zinc/97/88/84/676978884.db2.gz	LQZUCMFTTSBLRG-KRWDZBQOSA-N	1	0	362.499	1.347	20	30		FDEDRO
CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1CCC(=O)Nc1sccc1C#N	ZINC000364338184	677008928	/nfs/dbraw/zinc/00/89/28/677008928.db2.gz	OQFMYCIKTTZRST-UONOGXRCSA-N	1	0	365.455	1.991	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)c(F)c1	ZINC000365788212	677382083	/nfs/dbraw/zinc/38/20/83/677382083.db2.gz	WMOKMBMBIMOANE-INIZCTEOSA-N	1	0	351.447	1.438	20	30		FDEDRO
CCC[C@]1(CO)CC[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1	ZINC000367356610	677491438	/nfs/dbraw/zinc/49/14/38/677491438.db2.gz	OQGCCTDPHHAPAP-MJGOQNOKSA-N	1	0	350.507	1.163	20	30		FDEDRO
C#CCOc1ccc(CN2CCCN(S(=O)(=O)N(C)C)CC2)cc1	ZINC000367971913	677497145	/nfs/dbraw/zinc/49/71/45/677497145.db2.gz	GKXSZZKAFIHLPU-UHFFFAOYSA-N	1	0	351.472	1.013	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1	ZINC000370179834	677550207	/nfs/dbraw/zinc/55/02/07/677550207.db2.gz	APIKJOGAAXXTTD-IXDOHACOSA-N	1	0	356.536	1.909	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)NC1CC[NH+](CC2CCCC2)CC1	ZINC000370203053	677552217	/nfs/dbraw/zinc/55/22/17/677552217.db2.gz	ZGAHSPUASHXPDK-HNNXBMFYSA-N	1	0	356.536	1.957	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N(C)C1CC[NH+](CC(=O)N2CCCC2)CC1	ZINC000370885434	677626191	/nfs/dbraw/zinc/62/61/91/677626191.db2.gz	ICCNVTIBKSRCME-INIZCTEOSA-N	1	0	351.491	1.513	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1CCCN(CC(=O)NC(C)(C)C)CC1)OCC	ZINC000371061519	677643463	/nfs/dbraw/zinc/64/34/63/677643463.db2.gz	FTROTCXYZICLHW-MRXNPFEDSA-N	1	0	353.507	1.807	20	30		FDEDRO
CN1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C[C@@H]1C#N	ZINC000372140526	677849588	/nfs/dbraw/zinc/84/95/88/677849588.db2.gz	PAPILAFDCSPXKG-ZOBUZTSGSA-N	1	0	361.515	1.980	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1	ZINC000374462723	678083182	/nfs/dbraw/zinc/08/31/82/678083182.db2.gz	OBAVAXCIGFELNM-WMZOPIPTSA-N	1	0	364.515	1.919	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NC1CC[NH+](Cc2cccs2)CC1	ZINC000374548923	678086816	/nfs/dbraw/zinc/08/68/16/678086816.db2.gz	JGTQAASJEWDKJK-CYBMUJFWSA-N	1	0	356.517	1.781	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1	ZINC000374634342	678088548	/nfs/dbraw/zinc/08/85/48/678088548.db2.gz	ZZJUWBXVMVWYOS-USXIJHARSA-N	1	0	363.483	1.350	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1	ZINC000376350261	678283245	/nfs/dbraw/zinc/28/32/45/678283245.db2.gz	LCNUCMLNMJQNNH-IRXDYDNUSA-N	1	0	371.547	1.883	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)CC1	ZINC000378238960	678724372	/nfs/dbraw/zinc/72/43/72/678724372.db2.gz	ZVDPZXJQGVPUCV-QGZVFWFLSA-N	1	0	362.499	1.347	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000409475718	678846981	/nfs/dbraw/zinc/84/69/81/678846981.db2.gz	OXXQLAUQPCWUCT-HRCADAONSA-N	1	0	360.524	1.192	20	30		FDEDRO
CC[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)N(CCC#N)CCOC)C1	ZINC000410131553	678881464	/nfs/dbraw/zinc/88/14/64/678881464.db2.gz	SBOUJHMDEMLJNM-MRXNPFEDSA-N	1	0	374.551	1.583	20	30		FDEDRO
C[C@@H](C#N)CN(C)C(=O)C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1	ZINC000411021656	678980067	/nfs/dbraw/zinc/98/00/67/678980067.db2.gz	PRWYKXZRMGYGBL-HNNXBMFYSA-N	1	0	350.507	1.963	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)C(=O)NCC[NH+](C)C	ZINC000411226667	678997809	/nfs/dbraw/zinc/99/78/09/678997809.db2.gz	NUBUNJJQYCMCPK-UHFFFAOYSA-N	1	0	370.247	1.630	20	30		FDEDRO
Cc1c(F)c(F)ccc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000411394698	679027340	/nfs/dbraw/zinc/02/73/40/679027340.db2.gz	XUTZQKLXMDGSSX-UHFFFAOYSA-N	1	0	352.385	1.906	20	30		FDEDRO
C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000424100348	680829781	/nfs/dbraw/zinc/82/97/81/680829781.db2.gz	KKWLQIGTLOUJPF-SWLSCSKDSA-N	1	0	352.460	1.135	20	30		FDEDRO
CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H]([NH3+])CCCC#N	ZINC000424078692	680828851	/nfs/dbraw/zinc/82/88/51/680828851.db2.gz	QGARYJZNJICSDZ-CYBMUJFWSA-N	1	0	367.475	1.328	20	30		FDEDRO
CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)[C@H]([NH3+])CCCC#N	ZINC000424141144	680830791	/nfs/dbraw/zinc/83/07/91/680830791.db2.gz	GVQZOFMIHHNHGA-HUUCEWRRSA-N	1	0	350.488	1.601	20	30		FDEDRO
COCC[NH2+]CCNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	ZINC000414742756	679367723	/nfs/dbraw/zinc/36/77/23/679367723.db2.gz	UBTLJIQAQAPHLC-UHFFFAOYSA-N	1	0	359.455	1.963	20	30		FDEDRO
N#Cc1cc(NC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)ccc1OCC(F)(F)F	ZINC000414832397	679370856	/nfs/dbraw/zinc/37/08/56/679370856.db2.gz	DLLGQESRXMJRAB-PWSUYJOCSA-N	1	0	358.320	1.201	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1	ZINC000414895349	679373130	/nfs/dbraw/zinc/37/31/30/679373130.db2.gz	NEGYSZBTAYIRBZ-CJNGLKHVSA-N	1	0	366.487	1.613	20	30		FDEDRO
C[C@H](C[NH3+])CNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	ZINC000414907899	679373830	/nfs/dbraw/zinc/37/38/30/679373830.db2.gz	DUBQAXATTAXTTP-SNVBAGLBSA-N	1	0	362.484	2.418	20	30		FDEDRO
N#Cc1cc(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1F	ZINC000415123449	679382255	/nfs/dbraw/zinc/38/22/55/679382255.db2.gz	AXBWUKCGKYNTNG-CYBMUJFWSA-N	1	0	359.327	1.655	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC[C@@H]1[NH3+]	ZINC000415446179	679432574	/nfs/dbraw/zinc/43/25/74/679432574.db2.gz	PGFABRFYZUVTBW-ZANVPECISA-N	1	0	365.231	1.455	20	30		FDEDRO
CCC([NH3+])(CC)CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000415486691	679438617	/nfs/dbraw/zinc/43/86/17/679438617.db2.gz	JYHFPDYGNAGKEZ-UHFFFAOYSA-N	1	0	367.247	1.893	20	30		FDEDRO
COCC[NH2+]CCNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N	ZINC000415537476	679446723	/nfs/dbraw/zinc/44/67/23/679446723.db2.gz	GZBGTMJAKXZHED-UHFFFAOYSA-N	1	0	352.460	1.208	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1	ZINC000415606368	679463981	/nfs/dbraw/zinc/46/39/81/679463981.db2.gz	YQUFUIAUSHWLCM-ZWNOBZJWSA-N	1	0	372.397	1.491	20	30		FDEDRO
C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000415620169	679466939	/nfs/dbraw/zinc/46/69/39/679466939.db2.gz	UIRAKNHOXBBPSH-TVQRCGJNSA-N	1	0	365.231	1.373	20	30		FDEDRO
C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1	ZINC000415684137	679478955	/nfs/dbraw/zinc/47/89/55/679478955.db2.gz	DULSVWMPWHUPCB-HNNXBMFYSA-N	1	0	365.231	1.457	20	30		FDEDRO
COC[C@]1(CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)CCC[NH2+]1	ZINC000415705220	679482691	/nfs/dbraw/zinc/48/26/91/679482691.db2.gz	IVFXPJBDARSTHJ-MRXNPFEDSA-N	1	0	350.806	1.035	20	30		FDEDRO
C[N@@H+]1CC[C@H](CNS(=O)(=O)c2cc(Br)cc(C#N)c2)C1	ZINC000416495328	679639738	/nfs/dbraw/zinc/63/97/38/679639738.db2.gz	LKELKDKVKPUCNO-SNVBAGLBSA-N	1	0	358.261	1.551	20	30		FDEDRO
C=CC[C@H](CO)CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1	ZINC000418557912	680090062	/nfs/dbraw/zinc/09/00/62/680090062.db2.gz	BFEVFWKACHETAS-RVSPLBMKSA-N	1	0	353.413	1.894	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)C(=O)NCCSCc2ccccc2C#N)CC[NH2+]1	ZINC000418922628	680154027	/nfs/dbraw/zinc/15/40/27/680154027.db2.gz	MUPVTRCRKWIJPP-CZUORRHYSA-N	1	0	360.483	1.164	20	30		FDEDRO
[NH3+][C@H]1CCCN(C(=O)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000419105644	680191206	/nfs/dbraw/zinc/19/12/06/680191206.db2.gz	BWUCSTOJTLVBKI-AWEZNQCLSA-N	1	0	353.344	1.123	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1	ZINC000419159393	680204013	/nfs/dbraw/zinc/20/40/13/680204013.db2.gz	XMABWWPZPNFIIX-BHYGNILZSA-N	1	0	351.491	1.592	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)c1ccc(F)c(F)c1	ZINC000419671692	680314089	/nfs/dbraw/zinc/31/40/89/680314089.db2.gz	FPNYQMOKUGSRHB-WQGACYEGSA-N	1	0	351.397	1.907	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)NCC[NH2+]CCOC)c1ccc(F)c(F)c1	ZINC000419676387	680316601	/nfs/dbraw/zinc/31/66/01/680316601.db2.gz	LTLWRKPTWZHBLZ-HNNXBMFYSA-N	1	0	355.385	1.050	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N1CCC(C[NH3+])CC1)c1ccc(F)c(F)c1	ZINC000419683501	680319716	/nfs/dbraw/zinc/31/97/16/680319716.db2.gz	VGVLQSJLPUMUKJ-INIZCTEOSA-N	1	0	351.397	1.896	20	30		FDEDRO
C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1cccc(Br)c1C#N	ZINC000420438017	680451196	/nfs/dbraw/zinc/45/11/96/680451196.db2.gz	QUEHYIWOVQPFPZ-JOYOIKCWSA-N	1	0	358.261	1.597	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)c1	ZINC000420443518	680453987	/nfs/dbraw/zinc/45/39/87/680453987.db2.gz	LLZMFHQEGNPNPQ-HNNXBMFYSA-N	1	0	351.472	1.413	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H]1CCC[C@H]1C[NH3+]	ZINC000420460806	680463743	/nfs/dbraw/zinc/46/37/43/680463743.db2.gz	RNIBGTIYQSUPKY-JOYOIKCWSA-N	1	0	358.261	1.726	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N[C@@H](CC[NH3+])C(F)F)cc1C(F)(F)F	ZINC000420472116	680466462	/nfs/dbraw/zinc/46/64/62/680466462.db2.gz	YYVCBFJLRYQJEP-JTQLQIEISA-N	1	0	357.304	1.838	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCc1ccc(C#N)s1	ZINC000420813097	680558364	/nfs/dbraw/zinc/55/83/64/680558364.db2.gz	VMOANXLAOLNTKI-OAHLLOKOSA-N	1	0	363.487	1.362	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCCC[NH+]1CCCCC1	ZINC000425892584	680939659	/nfs/dbraw/zinc/93/96/59/680939659.db2.gz	VSIRRNPUFIPQSP-IRXDYDNUSA-N	1	0	351.491	1.466	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2CCO)CC1	ZINC000426195327	680951263	/nfs/dbraw/zinc/95/12/63/680951263.db2.gz	SMVPQLJHVGZJOT-HZPDHXFCSA-N	1	0	362.499	1.304	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C(=O)NCCC#N)CC1	ZINC000427882401	680987411	/nfs/dbraw/zinc/98/74/11/680987411.db2.gz	NOQSKOMXILSTSH-UHFFFAOYSA-N	1	0	363.849	1.450	20	30		FDEDRO
C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1	ZINC000428854110	681015976	/nfs/dbraw/zinc/01/59/76/681015976.db2.gz	CEDFJOIMSRKEGP-LBPRGKRZSA-N	1	0	352.416	1.571	20	30		FDEDRO
CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CCCOc1cccc(C#N)c1	ZINC000429705599	681044901	/nfs/dbraw/zinc/04/49/01/681044901.db2.gz	DANQOPCIUPUPMF-DLBZAZTESA-N	1	0	351.472	1.777	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C	ZINC000430385553	681074478	/nfs/dbraw/zinc/07/44/78/681074478.db2.gz	NMNJDXCAUJDJPA-VQHPVUNQSA-N	1	0	351.491	1.273	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)NCCC[N@@H+]1CCCO[C@H](C)C1	ZINC000432331087	681153125	/nfs/dbraw/zinc/15/31/25/681153125.db2.gz	IYIGFJYPWQELEA-OAHLLOKOSA-N	1	0	351.472	1.646	20	30		FDEDRO
C=CCNc1ncc(C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)s1	ZINC000432933813	681169475	/nfs/dbraw/zinc/16/94/75/681169475.db2.gz	PHZYUBNNRICDMW-UHFFFAOYSA-N	1	0	352.504	2.360	20	30		FDEDRO
CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)N(C)CCC#N	ZINC000437328896	681781057	/nfs/dbraw/zinc/78/10/57/681781057.db2.gz	NTECAGJIDXSVDB-UHFFFAOYSA-N	1	0	358.430	1.673	20	30		FDEDRO
C[C@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)[C@@H]1CCC[NH2+]C1	ZINC000440355946	681991057	/nfs/dbraw/zinc/99/10/57/681991057.db2.gz	NUXTYXIOLVLTRV-CMPLNLGQSA-N	1	0	372.288	1.987	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])c1	ZINC000440424858	681998247	/nfs/dbraw/zinc/99/82/47/681998247.db2.gz	ZANDVYKVDAGAPR-CJNGLKHVSA-N	1	0	351.472	1.350	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2ccc(C#N)c(C)c2)C1	ZINC000443911749	682361543	/nfs/dbraw/zinc/36/15/43/682361543.db2.gz	YHWCMZWIRQGXII-KRWDZBQOSA-N	1	0	365.499	1.988	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cnn(C)c2C(F)(F)F)CC1	ZINC000445085255	682448991	/nfs/dbraw/zinc/44/89/91/682448991.db2.gz	RJSMBUFIJDLBJC-UHFFFAOYSA-N	1	0	359.352	1.144	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1	ZINC000447253830	682541322	/nfs/dbraw/zinc/54/13/22/682541322.db2.gz	CEFLKNPRPWJSRJ-MWLCHTKSSA-N	1	0	358.261	1.679	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1	ZINC000447253828	682541401	/nfs/dbraw/zinc/54/14/01/682541401.db2.gz	CEFLKNPRPWJSRJ-GXSJLCMTSA-N	1	0	358.261	1.679	20	30		FDEDRO
C[C@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000448176685	682599689	/nfs/dbraw/zinc/59/96/89/682599689.db2.gz	JHRFJCYAUVGAOS-NHYWBVRUSA-N	1	0	352.416	1.652	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CCC(=O)OCC)C[C@H]1CCC[N@@H+]1CC	ZINC000448794068	682637958	/nfs/dbraw/zinc/63/79/58/682637958.db2.gz	AQZNBOYNUGGGPC-ZACQAIPSSA-N	1	0	352.475	1.844	20	30		FDEDRO
C[N@@H+]1CCCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1	ZINC000449059845	682663015	/nfs/dbraw/zinc/66/30/15/682663015.db2.gz	CXQFDSDFWDOJTH-UHFFFAOYSA-N	1	0	352.232	1.864	20	30		FDEDRO
C[C@@H]1C[C@@]1(C#N)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1	ZINC000450903564	682789034	/nfs/dbraw/zinc/78/90/34/682789034.db2.gz	ATXCQFDXPRMQGS-WBMJQRKESA-N	1	0	350.444	1.015	20	30		FDEDRO
C[C@@H]1C[C@]1(C#N)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1	ZINC000450903563	682789042	/nfs/dbraw/zinc/78/90/42/682789042.db2.gz	ATXCQFDXPRMQGS-MLGOLLRUSA-N	1	0	350.444	1.015	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1ccc(CC#N)cc1Cl	ZINC000451560607	682899986	/nfs/dbraw/zinc/89/99/86/682899986.db2.gz	WOPDNMJIAWWWKF-UHFFFAOYSA-N	1	0	372.922	1.568	20	30		FDEDRO
N#Cc1cc(Br)ccc1C(=O)NC[C@H]1CCCC[N@H+]1CCO	ZINC000452796826	683120498	/nfs/dbraw/zinc/12/04/98/683120498.db2.gz	LUYRTLRTIWKKJC-CQSZACIVSA-N	1	0	366.259	1.897	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)NCC(=O)NCC[NH+]1CCCCCC1	ZINC000454997322	683381848	/nfs/dbraw/zinc/38/18/48/683381848.db2.gz	YGCKDNLIWNJZOO-CVEARBPZSA-N	1	0	352.479	1.011	20	30		FDEDRO
C=CC(C)(C)CNC(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1	ZINC000458992828	684353774	/nfs/dbraw/zinc/35/37/74/684353774.db2.gz	WNSJYSIDFANTNN-KRWDZBQOSA-N	1	0	352.523	1.635	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C	ZINC000459042172	684360346	/nfs/dbraw/zinc/36/03/46/684360346.db2.gz	MUEMJQCJAKRMHT-PMPSAXMXSA-N	1	0	354.495	1.112	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1	ZINC000459040494	684360384	/nfs/dbraw/zinc/36/03/84/684360384.db2.gz	YWGQADMWJBFGQC-SJORKVTESA-N	1	0	350.507	1.389	20	30		FDEDRO
CC[N@@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C[C@@H](C)OC	ZINC000463425402	684690514	/nfs/dbraw/zinc/69/05/14/684690514.db2.gz	JCYYEQQDULGGGT-HZPDHXFCSA-N	1	0	364.515	1.814	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](S(N)(=O)=O)C2)cc1Cl	ZINC000471163651	685114316	/nfs/dbraw/zinc/11/43/16/685114316.db2.gz	ZFMKOOXPCXZYBU-ZDUSSCGKSA-N	1	0	370.862	1.293	20	30		FDEDRO
COC(=O)C[C@@H]1CSCC[N@@H+]1CCC(=O)Nc1sccc1C#N	ZINC000475891857	685658252	/nfs/dbraw/zinc/65/82/52/685658252.db2.gz	KCPIWAXORRJFIC-GFCCVEGCSA-N	1	0	353.469	1.929	20	30		FDEDRO
Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)c2cnn(C)c2C#N)C1	ZINC000475999734	685666457	/nfs/dbraw/zinc/66/64/57/685666457.db2.gz	PMPHEKUHYVECKG-ZDUSSCGKSA-N	1	0	358.471	1.651	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(CCC)CC[NH+](C)C)cc1	ZINC000478461087	685906595	/nfs/dbraw/zinc/90/65/95/685906595.db2.gz	SMWUTVOQEOGODM-UHFFFAOYSA-N	1	0	353.488	1.565	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2F)C[C@@H]1[NH+](C)C	ZINC000480723509	686214182	/nfs/dbraw/zinc/21/41/82/686214182.db2.gz	ZRWSLMRQKQEMLT-GJZGRUSLSA-N	1	0	357.476	1.505	20	30		FDEDRO
Cc1ncc(S(=O)(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cc1C#N	ZINC000489018795	687072098	/nfs/dbraw/zinc/07/20/98/687072098.db2.gz	HDYLKTAKYWXRBG-KRWDZBQOSA-N	1	0	358.467	1.713	20	30		FDEDRO
CSC1(CNS(=O)(=O)c2ccc(C#N)c(F)c2)CC[NH+](C)CC1	ZINC000489873096	687119039	/nfs/dbraw/zinc/11/90/39/687119039.db2.gz	HKHWQLUIDJUZND-UHFFFAOYSA-N	1	0	357.476	1.803	20	30		FDEDRO
COc1ccc(C[NH2+]CC2CN(S(C)(=O)=O)C2)cc1OCCCC#N	ZINC000495156548	687603544	/nfs/dbraw/zinc/60/35/44/687603544.db2.gz	MOTCABJHHMSMIK-UHFFFAOYSA-N	1	0	367.471	1.359	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NCC[NH+]1CCC2(CCCCC2)CC1	ZINC000499693168	687979694	/nfs/dbraw/zinc/97/96/94/687979694.db2.gz	SFJAJMZBNMARFV-MRXNPFEDSA-N	1	0	356.536	1.959	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C	ZINC000506349274	688563087	/nfs/dbraw/zinc/56/30/87/688563087.db2.gz	ZDBBWMOWSKCZQL-RDTXWAMCSA-N	1	0	352.479	1.000	20	30		FDEDRO
CC[NH+](CC)CCOC1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1	ZINC000510357914	689369908	/nfs/dbraw/zinc/36/99/08/689369908.db2.gz	YJSBPFGMVLWFBH-HNNXBMFYSA-N	1	0	360.524	1.288	20	30		FDEDRO
COc1ccc(COC[C@H](O)C[NH+]2CCC(F)(C#N)CC2)cc1OC	ZINC000510945582	689441125	/nfs/dbraw/zinc/44/11/25/689441125.db2.gz	ASDBIWCILNQVHJ-OAHLLOKOSA-N	1	0	352.406	1.909	20	30		FDEDRO
COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCN(S(C)(=O)=O)C1	ZINC000513890893	689708375	/nfs/dbraw/zinc/70/83/75/689708375.db2.gz	WKCWQFCMZTVKNK-KRWDZBQOSA-N	1	0	351.472	1.288	20	30		FDEDRO
CC[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1c(C)nn(C)c1C	ZINC000515529415	689869703	/nfs/dbraw/zinc/86/97/03/689869703.db2.gz	HMSKMMOHHOHBFD-HNNXBMFYSA-N	1	0	361.471	1.818	20	30		FDEDRO
N#Cc1ccccc1CSCC[NH2+]C[C@H](O)COC1CCOCC1	ZINC000516275098	689937906	/nfs/dbraw/zinc/93/79/06/689937906.db2.gz	FQXYBAGSBZYVSY-KRWDZBQOSA-N	1	0	350.484	1.938	20	30		FDEDRO
Cc1nc(SCC(=O)NC[C@H]2C[N@@H+](C)CCN2C)c(C#N)c(C)c1C	ZINC000518964410	690171880	/nfs/dbraw/zinc/17/18/80/690171880.db2.gz	RAIMCZXJBVTIOW-HNNXBMFYSA-N	1	0	361.515	1.333	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)NC2(C[NH3+])CCOCC2)ccc1C(F)(F)F	ZINC000528055983	694698075	/nfs/dbraw/zinc/69/80/75/694698075.db2.gz	KNENZPQUVJGUAN-UHFFFAOYSA-N	1	0	363.361	1.363	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2F)C[C@H]1[NH+]1CCCC1	ZINC000525836333	694637334	/nfs/dbraw/zinc/63/73/34/694637334.db2.gz	GECFIRBYEDPIGZ-CABCVRRESA-N	1	0	369.487	1.898	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)cc1	ZINC000636092527	695095141	/nfs/dbraw/zinc/09/51/41/695095141.db2.gz	NERJGPAASVCXKS-IYBDPMFKSA-N	1	0	363.483	1.508	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000641344134	696059497	/nfs/dbraw/zinc/05/94/97/696059497.db2.gz	UKKNJLNVNIEMFU-DOTOQJQBSA-N	1	0	365.499	1.186	20	30		FDEDRO
CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccc(C#N)c(Cl)n1	ZINC001164618274	719012360	/nfs/dbraw/zinc/01/23/60/719012360.db2.gz	RUEPVLVMRDMSGQ-WOPDTQHZSA-N	1	0	370.787	1.881	20	30		FDEDRO
CCOC(=O)C1CC[NH+](C2CCN(c3ncc(C#N)nc3C)CC2)CC1	ZINC001164618529	719029940	/nfs/dbraw/zinc/02/99/40/719029940.db2.gz	YAKAMCSNWFXERC-UHFFFAOYSA-N	1	0	357.458	1.901	20	30		FDEDRO
N#Cc1cc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1	ZINC001164739783	720598447	/nfs/dbraw/zinc/59/84/47/720598447.db2.gz	HFPYKGSNKXCDPX-UONOGXRCSA-N	1	0	356.817	1.739	20	30		FDEDRO
N#Cc1cc(Cl)cnc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164737544	720738791	/nfs/dbraw/zinc/73/87/91/720738791.db2.gz	CJALBVVPJQEGFS-HUUCEWRRSA-N	1	0	356.817	1.739	20	30		FDEDRO
N#Cc1cc(Cl)cnc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164737545	720739884	/nfs/dbraw/zinc/73/98/84/720739884.db2.gz	CJALBVVPJQEGFS-LSDHHAIUSA-N	1	0	356.817	1.739	20	30		FDEDRO
N#Cc1nccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC001164747490	720810871	/nfs/dbraw/zinc/81/08/71/720810871.db2.gz	OEVXPACAVBCJPU-LZLYRXPVSA-N	1	0	364.457	1.319	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3ncc(Cl)cc3C#N)CC[C@H]2C1	ZINC001164856863	720868689	/nfs/dbraw/zinc/86/86/89/720868689.db2.gz	PRQDWEVNGWKOCZ-BBRMVZONSA-N	1	0	350.850	1.780	20	30		FDEDRO
COc1cc(C#N)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1	ZINC001164865361	721095882	/nfs/dbraw/zinc/09/58/82/721095882.db2.gz	KKORNXUMLPNDCO-PKOBYXMFSA-N	1	0	365.437	1.837	20	30		FDEDRO
COc1cc(C#N)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1	ZINC001164865359	721095996	/nfs/dbraw/zinc/09/59/96/721095996.db2.gz	KKORNXUMLPNDCO-IEBWSBKVSA-N	1	0	365.437	1.837	20	30		FDEDRO
N#Cc1c(F)ccnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164862825	721105397	/nfs/dbraw/zinc/10/53/97/721105397.db2.gz	BACOMFBMAUFLLD-HZPDHXFCSA-N	1	0	353.401	1.967	20	30		FDEDRO
Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(C#N)ccc4[N+](=O)[O-])C[C@H]3C2)cn1	ZINC001164772744	721127342	/nfs/dbraw/zinc/12/73/42/721127342.db2.gz	VYBMVSFQAKSNCV-HUUCEWRRSA-N	1	0	367.413	1.553	20	30		FDEDRO
Cc1nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)cnc1C#N	ZINC001164871046	721128413	/nfs/dbraw/zinc/12/84/13/721128413.db2.gz	DBAVMVZFOSDCOT-SJORKVTESA-N	1	0	350.426	1.531	20	30		FDEDRO
CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cncc(CC#N)n4)C3)O2)CC1	ZINC001164897335	721428315	/nfs/dbraw/zinc/42/83/15/721428315.db2.gz	SYORZKJHJLRPAK-ICSRJNTNSA-N	1	0	370.501	1.308	20	30		FDEDRO
Cc1nc(C#N)cnc1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2	ZINC001164897391	721428669	/nfs/dbraw/zinc/42/86/69/721428669.db2.gz	TXGYAAWNRCLXOI-QUCCMNQESA-N	1	0	370.501	1.422	20	30		FDEDRO
Cc1nc(C#N)cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1	ZINC001164891349	721450617	/nfs/dbraw/zinc/45/06/17/721450617.db2.gz	UMEQETGBSRYCPW-UYAOXDASSA-N	1	0	370.501	1.422	20	30		FDEDRO
Cc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(C#N)n1	ZINC001164976347	722124365	/nfs/dbraw/zinc/12/43/65/722124365.db2.gz	LJHANEVTOLMKAA-QZTJIDSGSA-N	1	0	364.453	1.779	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CN(C)CCO2)C1	ZINC001087424119	805581196	/nfs/dbraw/zinc/58/11/96/805581196.db2.gz	KJUYBCNRBCEFDG-AQNXPRMDSA-N	1	0	357.498	1.867	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087206001	782329195	/nfs/dbraw/zinc/32/91/95/782329195.db2.gz	WLTSCCHOXCFSTO-PBHICJAKSA-N	1	0	365.437	1.672	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2ccn(CCOC)n2)C[C@H]1C	ZINC001104405913	782347379	/nfs/dbraw/zinc/34/73/79/782347379.db2.gz	UAEVNCFUIZHDCX-IAGOWNOFSA-N	1	0	364.490	1.420	20	30		FDEDRO
[NH3+]C[C@@H]1CN(C(=O)NCCOC(F)(F)C(F)(F)F)C[C@@H]1C(F)(F)F	ZINC000892706357	790323163	/nfs/dbraw/zinc/32/31/63/790323163.db2.gz	UWYOMDAUAGNURI-RQJHMYQMSA-N	1	0	373.244	1.937	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@H]3CCOC34CCCC4)CC2)o1	ZINC000934388714	782577298	/nfs/dbraw/zinc/57/72/98/782577298.db2.gz	ZXZFQTSQTAZJQX-INIZCTEOSA-N	1	0	373.457	1.195	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1	ZINC001022722449	782613679	/nfs/dbraw/zinc/61/36/79/782613679.db2.gz	LQDVYVBWLYTWJM-XUWVNRHRSA-N	1	0	358.417	1.158	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1ccc(OCC(=O)OC)cc1	ZINC000274493807	768818957	/nfs/dbraw/zinc/81/89/57/768818957.db2.gz	SZBRDFMJHSMEFU-LSDHHAIUSA-N	1	0	361.442	1.897	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(C)CC2)C[C@H]1C	ZINC001104222929	769024085	/nfs/dbraw/zinc/02/40/85/769024085.db2.gz	FRHFTMMFVPKRPC-QLFBSQMISA-N	1	0	364.490	1.261	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC(F)F)C2	ZINC001112473036	769479217	/nfs/dbraw/zinc/47/92/17/769479217.db2.gz	UEQUGTUOAIXMHC-GLJUWKHASA-N	1	0	357.445	1.941	20	30		FDEDRO
C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1	ZINC000784926052	769710610	/nfs/dbraw/zinc/71/06/10/769710610.db2.gz	QJEHQMBTPRSOEP-UHFFFAOYSA-N	1	0	366.465	1.252	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@@H+](C)C1	ZINC000969427684	770172106	/nfs/dbraw/zinc/17/21/06/770172106.db2.gz	FFPMWHOSSPHRSE-AVEIZBFRSA-N	1	0	361.486	1.121	20	30		FDEDRO
C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(Cc2cc(F)ccc2C#N)C1	ZINC000969705172	770693970	/nfs/dbraw/zinc/69/39/70/770693970.db2.gz	UHEVPMRIZPZVBA-PJIJBLCYSA-N	1	0	358.461	1.974	20	30		FDEDRO
C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(CC#Cc2ccc(F)cc2)C1	ZINC000969703847	770702219	/nfs/dbraw/zinc/70/22/19/770702219.db2.gz	LHSUNDORYXKZJG-RZQQEMMASA-N	1	0	357.473	1.954	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C	ZINC000274813646	770781563	/nfs/dbraw/zinc/78/15/63/770781563.db2.gz	COCWTMUNJMJWKX-KRWDZBQOSA-N	1	0	372.469	1.763	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H]1C	ZINC001020600913	770959312	/nfs/dbraw/zinc/95/93/12/770959312.db2.gz	YYUCMXGRSRLGLC-MHORFTMASA-N	1	0	363.502	1.415	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@H]2C[NH+]2CCCC2)CC1	ZINC000246185722	771093066	/nfs/dbraw/zinc/09/30/66/771093066.db2.gz	WQLXCQMPAQKVTK-OALUTQOASA-N	1	0	361.534	1.239	20	30		FDEDRO
N#CCOc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)cc1	ZINC000969973439	771144615	/nfs/dbraw/zinc/14/46/15/771144615.db2.gz	PYEWYXSEIDOCQF-IXDOHACOSA-N	1	0	370.453	1.181	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCCCCCC2)C1	ZINC000970016768	771204501	/nfs/dbraw/zinc/20/45/01/771204501.db2.gz	GUVVMXIHOIMTOP-KURKYZTESA-N	1	0	363.502	1.561	20	30		FDEDRO
C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1	ZINC001022749334	782918494	/nfs/dbraw/zinc/91/84/94/782918494.db2.gz	FUWAQPABGIMKMR-RFQIPJPRSA-N	1	0	353.264	1.669	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCCC1(C[NH2+]Cc2ccc(C#N)cc2)CC1	ZINC001167245187	771798919	/nfs/dbraw/zinc/79/89/19/771798919.db2.gz	VMOLXMLFJSHMGG-ZWKOTPCHSA-N	1	0	368.481	1.659	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(Cc3cccc(OC)n3)C[C@@H]21	ZINC001083198659	771825783	/nfs/dbraw/zinc/82/57/83/771825783.db2.gz	JTRGTVKEBTYOFW-VSZNYVQBSA-N	1	0	373.453	1.093	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)N(CC)CC)CC1	ZINC001167274257	771850696	/nfs/dbraw/zinc/85/06/96/771850696.db2.gz	OTAWNRIETWOZRU-CVEARBPZSA-N	1	0	351.491	1.322	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]CCOC[C@@H]2CCCO2)CC1	ZINC001167277329	771855710	/nfs/dbraw/zinc/85/57/10/771855710.db2.gz	GZCXHYVGFHHLAT-KSZLIROESA-N	1	0	366.502	1.649	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)N(CC)CC)C1	ZINC001210070599	771901062	/nfs/dbraw/zinc/90/10/62/771901062.db2.gz	NHDKVAFWPIRZQA-RYRKJORJSA-N	1	0	351.491	1.417	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)c4ccsc4)[C@@H]3C2)CC1	ZINC001021037173	771972487	/nfs/dbraw/zinc/97/24/87/771972487.db2.gz	YDMKHTZFTYNFAY-FUHWJXTLSA-N	1	0	371.506	1.766	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC[C@@H]2CCOC2)C1	ZINC001104250206	772005451	/nfs/dbraw/zinc/00/54/51/772005451.db2.gz	YRLDTJNFEJTWLI-FGTMMUONSA-N	1	0	365.518	1.570	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H](n2cc(C[NH2+]CC)nn2)C1	ZINC001075379409	772060951	/nfs/dbraw/zinc/06/09/51/772060951.db2.gz	IQKBVORXQIJYSZ-SQNIBIBYSA-N	1	0	361.490	1.922	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(CC)CCC1)C2	ZINC001112512803	782991631	/nfs/dbraw/zinc/99/16/31/782991631.db2.gz	SWKNDGMZRFKNCR-WWMYMODYSA-N	1	0	359.514	1.923	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)CC)C1)OCC	ZINC001104255384	772432447	/nfs/dbraw/zinc/43/24/47/772432447.db2.gz	NEPDPNJMGGSXGM-KZNAEPCWSA-N	1	0	367.534	1.910	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@@H](OCC)C(=C)C)C[C@H]1C	ZINC001104255382	772432594	/nfs/dbraw/zinc/43/25/94/772432594.db2.gz	NBOXFTMDVDIKFU-KZNAEPCWSA-N	1	0	365.518	1.734	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnnn2C)C1)OCC	ZINC001104255436	772442269	/nfs/dbraw/zinc/44/22/69/772442269.db2.gz	UGFQCJDIRHNNQM-NUJGCVRESA-N	1	0	363.506	1.761	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(OCCOC)nc2)C[C@H]1C	ZINC001104266379	772618622	/nfs/dbraw/zinc/61/86/22/772618622.db2.gz	CUVJUVFNMLLLBZ-SJLPKXTDSA-N	1	0	359.470	1.818	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cc(C3CC3)n(C)n2)C[C@H]1C	ZINC001104268167	772643838	/nfs/dbraw/zinc/64/38/38/772643838.db2.gz	XOFDLZUALZXTLR-NVXWUHKLSA-N	1	0	358.486	1.635	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)c2cn(-c3cccnc3)nn2)C[C@H]1C	ZINC001104270513	772666094	/nfs/dbraw/zinc/66/60/94/772666094.db2.gz	AOUXFCDHNYVPAQ-HZPDHXFCSA-N	1	0	354.458	1.926	20	30		FDEDRO
C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC000970557892	772945171	/nfs/dbraw/zinc/94/51/71/772945171.db2.gz	OZSBSSCRKGLETH-DKSSEZFCSA-N	1	0	356.470	1.614	20	30		FDEDRO
C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC000970566806	772976845	/nfs/dbraw/zinc/97/68/45/772976845.db2.gz	LNWBSBPFWLYGGP-DKSSEZFCSA-N	1	0	354.454	1.061	20	30		FDEDRO
C=CC[C@H]1N(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CCCC1(C)C	ZINC000683677116	772997892	/nfs/dbraw/zinc/99/78/92/772997892.db2.gz	JTHOVXFDMKUGEZ-MRXNPFEDSA-N	1	0	361.490	1.977	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cnc3nccn3c2)C[C@H]1C	ZINC001104419507	783063792	/nfs/dbraw/zinc/06/37/92/783063792.db2.gz	OOYUXUUOVWINKC-HZPDHXFCSA-N	1	0	357.458	1.620	20	30		FDEDRO
CCO[C@@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1)C(C)C	ZINC001104287042	773047285	/nfs/dbraw/zinc/04/72/85/773047285.db2.gz	RPDRIUDZGZOKPR-ZACQAIPSSA-N	1	0	366.506	1.152	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nccnc1C	ZINC001021385064	773121433	/nfs/dbraw/zinc/12/14/33/773121433.db2.gz	MKFFFYOBIRWSGH-HZZYYBQKSA-N	1	0	356.470	1.988	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCN1c1nccs1)C2	ZINC001112489269	773359202	/nfs/dbraw/zinc/35/92/02/773359202.db2.gz	UJNIMJPTXAFOIA-FCEWJHQRSA-N	1	0	358.511	1.963	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c4ccccc4[nH]c3=O)[C@H]2C1	ZINC001083206220	773538086	/nfs/dbraw/zinc/53/80/86/773538086.db2.gz	NYTLHLGLDDSEEO-DLBZAZTESA-N	1	0	356.426	1.230	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCCS2(=O)=O)C[C@H]1C	ZINC001104289535	773584505	/nfs/dbraw/zinc/58/45/05/773584505.db2.gz	MCYLPJZHLBLWJB-ZACQAIPSSA-N	1	0	356.532	1.994	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2COCCO2)[C@H](C[NH2+]Cc2ccc(C#N)s2)C1	ZINC001087124876	773941838	/nfs/dbraw/zinc/94/18/38/773941838.db2.gz	REDQOCZPQZTBGO-JKIFEVAISA-N	1	0	363.483	1.752	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCCN(c3ccc(C)nn3)C2)C1	ZINC000328709010	774004518	/nfs/dbraw/zinc/00/45/18/774004518.db2.gz	MIDLEDJXTYBXRT-IAGOWNOFSA-N	1	0	360.506	1.989	20	30		FDEDRO
COC(=O)[C@@H]1C[C@@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000891244609	774063041	/nfs/dbraw/zinc/06/30/41/774063041.db2.gz	IVSSNYDWIDAOOY-IAGOWNOFSA-N	1	0	358.442	1.441	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CNC(=O)c3ccccc32)C[C@H]1C	ZINC001104299352	774098165	/nfs/dbraw/zinc/09/81/65/774098165.db2.gz	GZRAHKMDIXBKCR-GPMSIDNRSA-N	1	0	353.466	1.611	20	30		FDEDRO
C[C@@H]1CCN(C(=O)CS(C)(=O)=O)[C@H](C[NH2+]Cc2ccc(C#N)s2)C1	ZINC001087130451	774437840	/nfs/dbraw/zinc/43/78/40/774437840.db2.gz	SFODNMRJZOYXTK-OLZOCXBDSA-N	1	0	369.512	1.381	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2coc(C)n2)C1	ZINC001104306095	774439437	/nfs/dbraw/zinc/43/94/37/774439437.db2.gz	KNDOXDANBSSHNC-SUMDDJOVSA-N	1	0	358.486	1.655	20	30		FDEDRO
C[C@@H]1CCN(C(=O)CS(C)(=O)=O)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087130536	774440259	/nfs/dbraw/zinc/44/02/59/774440259.db2.gz	WMKOEZYPWRNWOV-PBHICJAKSA-N	1	0	363.483	1.320	20	30		FDEDRO
COc1ncc(NC(=O)NCC#CC[NH+](C)C)c(C)c1Br	ZINC000932958435	774766875	/nfs/dbraw/zinc/76/68/75/774766875.db2.gz	ZNZVRBBNRMOAST-UHFFFAOYSA-N	1	0	355.236	1.848	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1csc(=O)[nH]1)C2	ZINC001112513253	783207941	/nfs/dbraw/zinc/20/79/41/783207941.db2.gz	QKXALZCJJHOEQT-GUYCJALGSA-N	1	0	351.472	1.883	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(=O)N(C)C2CC2)CC1	ZINC001167434991	774824622	/nfs/dbraw/zinc/82/46/22/774824622.db2.gz	BYYNMVYGKZAVJK-WMZOPIPTSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C2CC2)[C@H]2CCCCO2)CC1	ZINC000656310640	774897439	/nfs/dbraw/zinc/89/74/39/774897439.db2.gz	BVZMBNIQHSSPAM-MSOLQXFVSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2Cc3ccc(OC)cc3C2)CC1	ZINC000656310716	774897764	/nfs/dbraw/zinc/89/77/64/774897764.db2.gz	DKTJGJNUBOMLRL-UHFFFAOYSA-N	1	0	357.454	1.694	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1CC[NH2+]CC#Cc1ccccc1	ZINC001104323899	774971384	/nfs/dbraw/zinc/97/13/84/774971384.db2.gz	DJUQTMIJMYTTGC-SJLPKXTDSA-N	1	0	364.449	1.922	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1	ZINC001104325630	775038682	/nfs/dbraw/zinc/03/86/82/775038682.db2.gz	NDPPZXCRBPRAMM-RHSMWYFYSA-N	1	0	365.437	1.942	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H](C[NH2+]Cc2ccn(C)c(=O)c2)C1	ZINC001087143888	775221257	/nfs/dbraw/zinc/22/12/57/775221257.db2.gz	QJABTBGWWJTPGA-PBHICJAKSA-N	1	0	367.453	1.616	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)c4ccoc4C)[C@@H]3C2)CC1	ZINC000971256384	775505610	/nfs/dbraw/zinc/50/56/10/775505610.db2.gz	UMJCJDHZCFFXBH-IEBWSBKVSA-N	1	0	369.465	1.606	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCNC(C)=O)C1	ZINC001104731717	790390083	/nfs/dbraw/zinc/39/00/83/790390083.db2.gz	UFTSOHXARHUFAN-SJLPKXTDSA-N	1	0	367.534	1.816	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnc3cc(C)nn3c1C)C2	ZINC001112503146	776062606	/nfs/dbraw/zinc/06/26/06/776062606.db2.gz	APAKNQWFADHEFP-JXFKEZNVSA-N	1	0	351.454	1.811	20	30		FDEDRO
CC(C)N1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2c[nH]c(C#N)c2)C1=O	ZINC001087152271	776073616	/nfs/dbraw/zinc/07/36/16/776073616.db2.gz	QAPWCXCOVHGBHC-JLSDUUJJSA-N	1	0	371.485	1.726	20	30		FDEDRO
C#CCN(C(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C)C1CC1	ZINC000276161673	776198892	/nfs/dbraw/zinc/19/88/92/776198892.db2.gz	KOMBKHQETNUVKK-UHFFFAOYSA-N	1	0	368.481	1.700	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cnc(OC)c(Cl)c3)[C@H]2C1	ZINC001083282087	790447149	/nfs/dbraw/zinc/44/71/49/790447149.db2.gz	NSPCGQQJXIWDER-LSDHHAIUSA-N	1	0	351.834	1.845	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)c4ccoc4)C[C@H]32)CC1	ZINC001021883959	776489088	/nfs/dbraw/zinc/48/90/88/776489088.db2.gz	PRPVIVUYUKNHSF-FUHWJXTLSA-N	1	0	355.438	1.298	20	30		FDEDRO
C[C@H](CNC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1CC[NH+](C)CC1	ZINC000328785136	776804751	/nfs/dbraw/zinc/80/47/51/776804751.db2.gz	OGPKCOCDAJKGLW-OAGGEKHMSA-N	1	0	364.490	1.144	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2[nH]c(C)cc2C)C[C@H]1C	ZINC001104355896	776985211	/nfs/dbraw/zinc/98/52/11/776985211.db2.gz	RWQBAMKOKSRAGM-HYVNUMGLSA-N	1	0	358.486	1.457	20	30		FDEDRO
N#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](CCO)CC[C@@H]2c2ccc(F)cc2)[nH]1	ZINC001075420980	777056485	/nfs/dbraw/zinc/05/64/85/777056485.db2.gz	DKZXFMYHAFXVBK-CRAIPNDOSA-N	1	0	370.428	1.853	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H]2COC(=O)N2)C1	ZINC001075421139	777057319	/nfs/dbraw/zinc/05/73/19/777057319.db2.gz	NEXXYPQOCDEQDI-DJIMGWMZSA-N	1	0	359.401	1.089	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]3C2)cn1	ZINC001022019988	777147148	/nfs/dbraw/zinc/14/71/48/777147148.db2.gz	ZFSIQCWEHIMAJJ-CGTJXYLNSA-N	1	0	354.454	1.076	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1	ZINC001075422028	777239482	/nfs/dbraw/zinc/23/94/82/777239482.db2.gz	HBSGFCPTQMGPGV-OIISXLGYSA-N	1	0	360.433	1.215	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3cccc(OC)c3)[C@H]2C1	ZINC001083220012	777275902	/nfs/dbraw/zinc/27/59/02/777275902.db2.gz	YRDFQILVSUABAC-ZGXWSNOMSA-N	1	0	354.450	1.734	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H]2CCNC2=O)C1	ZINC001075422221	777279207	/nfs/dbraw/zinc/27/92/07/777279207.db2.gz	RYZFIAMSYSOCCF-QRQLOZEOSA-N	1	0	371.456	1.507	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2cccc(CC)c2)C[C@H]1C	ZINC001104362673	777469233	/nfs/dbraw/zinc/46/92/33/777469233.db2.gz	CTMJTIDEKMPNQN-YLJYHZDGSA-N	1	0	369.509	1.615	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCn3nccc32)C[C@H]1C	ZINC001104364798	777742645	/nfs/dbraw/zinc/74/26/45/777742645.db2.gz	GHQNRFYGMPQUNC-KURKYZTESA-N	1	0	358.486	1.485	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc(C)n2C2CC2)C1	ZINC001022098901	777904147	/nfs/dbraw/zinc/90/41/47/777904147.db2.gz	DQOIONMNCMSAMU-WTTBNOFXSA-N	1	0	359.474	1.639	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cn(C)nn2)[C@H](C[NH2+]Cc2ccc(C#N)s2)C1	ZINC001087161257	777962503	/nfs/dbraw/zinc/96/25/03/777962503.db2.gz	BOYZDOYLZLMDBO-OLZOCXBDSA-N	1	0	358.471	1.779	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2ncn(C)n2)[C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC001087161856	778002177	/nfs/dbraw/zinc/00/21/77/778002177.db2.gz	CFPBYCXJSFSQME-CJNGLKHVSA-N	1	0	370.432	1.856	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2ncn(C)n2)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087162223	778013948	/nfs/dbraw/zinc/01/39/48/778013948.db2.gz	XBUAVSHHNZZZIF-PBHICJAKSA-N	1	0	352.442	1.717	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cccc(-n3ccnc3)n2)C[C@H]1C	ZINC001104375500	778602791	/nfs/dbraw/zinc/60/27/91/778602791.db2.gz	PDGPHHHIKIHMAO-IAGOWNOFSA-N	1	0	351.454	1.978	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1	ZINC000971719469	778839425	/nfs/dbraw/zinc/83/94/25/778839425.db2.gz	RXNFBSPVJYUXFL-BPQIPLTHSA-N	1	0	369.469	1.432	20	30		FDEDRO
C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCC(c2ccc(C#N)cc2)CC1	ZINC000933613667	779168880	/nfs/dbraw/zinc/16/88/80/779168880.db2.gz	DXORRLBCQFHRRN-HNNXBMFYSA-N	1	0	368.481	1.850	20	30		FDEDRO
C[C@@H]1CCN(C(=O)Cn2nccn2)[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001087171549	779178610	/nfs/dbraw/zinc/17/86/10/779178610.db2.gz	RORXATDOHCHBIR-QAPCUYQASA-N	1	0	352.442	1.567	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)nc1	ZINC001022293393	779183017	/nfs/dbraw/zinc/18/30/17/779183017.db2.gz	RHVMTEKFDCDJCL-PKOBYXMFSA-N	1	0	366.465	1.078	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@](O)(C[NH+]2CCC3(CC2)CC(=O)C=CO3)C1	ZINC000933645476	779258322	/nfs/dbraw/zinc/25/83/22/779258322.db2.gz	QTGUBWCUKYRXMT-SFHVURJKSA-N	1	0	366.458	1.696	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@]34CCC[C@@H]3[NH2+]CC4)C2=O)cc1	ZINC000891764950	779317459	/nfs/dbraw/zinc/31/74/59/779317459.db2.gz	MPVJROYHZZUOOD-ABSDTBQOSA-N	1	0	367.453	1.637	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@H]32)cc1	ZINC001022336445	779448157	/nfs/dbraw/zinc/44/81/57/779448157.db2.gz	JKAQKBPIKFWWKX-GBESFXJTSA-N	1	0	351.450	1.293	20	30		FDEDRO
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)n1	ZINC000276798944	779623974	/nfs/dbraw/zinc/62/39/74/779623974.db2.gz	QOBRMCFVCXCOMP-UHFFFAOYSA-N	1	0	374.489	1.686	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cnc(OC)nc1C	ZINC001111490155	779721405	/nfs/dbraw/zinc/72/14/05/779721405.db2.gz	WHPJDDWPSZMTKY-DZUCGIPZSA-N	1	0	360.458	1.606	20	30		FDEDRO
[NH3+]C[C@@H]1CN(C(=O)NCCOCC(F)(F)C(F)F)C[C@H]1C(F)(F)F	ZINC000891858456	779812261	/nfs/dbraw/zinc/81/22/61/779812261.db2.gz	QHVMQOHGWHBALK-HTQZYQBOSA-N	1	0	369.281	1.682	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@](O)(C2(C(=O)OC)CCC2)C1	ZINC000933843565	779855755	/nfs/dbraw/zinc/85/57/55/779855755.db2.gz	YMRBSDLUCHDCCF-UZLBHIALSA-N	1	0	364.486	1.746	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2ccsn2)C1=O	ZINC001087180138	779878453	/nfs/dbraw/zinc/87/84/53/779878453.db2.gz	OBOVKIDNGRCVOS-ILXRZTDVSA-N	1	0	362.499	1.760	20	30		FDEDRO
C=CCN(Cc1nc(C(C)(C)[NH3+])no1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000431073827	779929452	/nfs/dbraw/zinc/92/94/52/779929452.db2.gz	MXULZODLKGZHGX-CYBMUJFWSA-N	1	0	368.445	1.988	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1	ZINC000276878604	779986293	/nfs/dbraw/zinc/98/62/93/779986293.db2.gz	DLQKKCMWONTBNB-MAUKXSAKSA-N	1	0	364.396	1.588	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1	ZINC000971851369	779987444	/nfs/dbraw/zinc/98/74/44/779987444.db2.gz	OBBWNMGRJOZVPJ-ZTFGCOKTSA-N	1	0	369.469	1.434	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3NC(=O)c4ccccc43)[C@H]2C1	ZINC001083229901	780004945	/nfs/dbraw/zinc/00/49/45/780004945.db2.gz	XTMYEWIPVMUBGP-OKZBNKHCSA-N	1	0	355.438	1.349	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2O)CC1	ZINC001025485025	790771947	/nfs/dbraw/zinc/77/19/47/790771947.db2.gz	DXOMTMJPKNAURH-IAGOWNOFSA-N	1	0	361.486	1.049	20	30		FDEDRO
C[NH+]1CCN(C[C@@H](NC(=O)N2CCO[C@@](C)(C#N)C2)c2ccccc2)CC1	ZINC000892720689	790776897	/nfs/dbraw/zinc/77/68/97/790776897.db2.gz	FAFGHCDXXKQTSL-QUCCMNQESA-N	1	0	371.485	1.299	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccnc(C3CC3)c2)C[C@H]1C	ZINC001104388413	780262590	/nfs/dbraw/zinc/26/25/90/780262590.db2.gz	WELAIUOJZSGHDM-CRAIPNDOSA-N	1	0	368.481	1.396	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)[C@H]4C[C@H]5C[C@H]5C4)[C@@H]3C2)CC1	ZINC001022449443	780279016	/nfs/dbraw/zinc/27/90/16/780279016.db2.gz	QEZNJMZQWROUNK-CENDIDJXSA-N	1	0	369.509	1.437	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)CC[N@@H+]1C	ZINC000971875258	780394379	/nfs/dbraw/zinc/39/43/79/780394379.db2.gz	UDYBPFHDDFLPPB-BVPBIZIASA-N	1	0	369.469	1.290	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1	ZINC000161102671	780414312	/nfs/dbraw/zinc/41/43/12/780414312.db2.gz	DAUUJZLVXASVOQ-UHFFFAOYSA-N	1	0	362.405	1.656	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)CN3CCc4sccc4C3)[C@H]2C1	ZINC001083282730	790798119	/nfs/dbraw/zinc/79/81/19/790798119.db2.gz	QOTPVTFFDPBEGU-DLBZAZTESA-N	1	0	361.511	1.594	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cc(C(N)=O)cn2C)C[C@H]1C	ZINC001104390077	780657672	/nfs/dbraw/zinc/65/76/72/780657672.db2.gz	GEXFGCTZRRKWND-HUUCEWRRSA-N	1	0	362.474	1.014	20	30		FDEDRO
Cc1cc2n[nH]cc2cc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000277041282	780681067	/nfs/dbraw/zinc/68/10/67/780681067.db2.gz	TWBHZHARXCZXAI-UHFFFAOYSA-N	1	0	356.430	1.504	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccoc2)C[C@H]1c1ccccc1	ZINC001211530163	780722485	/nfs/dbraw/zinc/72/24/85/780722485.db2.gz	NZUNBXTXDLZINJ-ZWKOTPCHSA-N	1	0	353.422	1.780	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2snnc2CC)C[C@H]1C	ZINC001104395022	780973590	/nfs/dbraw/zinc/97/35/90/780973590.db2.gz	CVCPLAGPGQRNNI-ZIAGYGMSSA-N	1	0	352.504	1.991	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1	ZINC000376911378	790842894	/nfs/dbraw/zinc/84/28/94/790842894.db2.gz	PJRVQFDZILJZTC-INIZCTEOSA-N	1	0	355.438	1.724	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]21	ZINC001022563802	781147521	/nfs/dbraw/zinc/14/75/21/781147521.db2.gz	BYXIJJCEJNJQSF-JCGIZDLHSA-N	1	0	354.454	1.581	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]21	ZINC001022568919	781185806	/nfs/dbraw/zinc/18/58/06/781185806.db2.gz	AWZXRLBGDJWPDN-JCGIZDLHSA-N	1	0	354.454	1.581	20	30		FDEDRO
CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCC(C)(C)CCC#N)CC1	ZINC000510997584	781196178	/nfs/dbraw/zinc/19/61/78/781196178.db2.gz	BQJJGAKPYGPXJN-UHFFFAOYSA-N	1	0	374.489	1.925	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3O2)C[C@H]1C	ZINC001104397557	781281371	/nfs/dbraw/zinc/28/13/71/781281371.db2.gz	QLJJJUWMQOTDRF-YVWKXTFCSA-N	1	0	356.466	1.714	20	30		FDEDRO
N#Cc1cnc(NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c([N+](=O)[O-])c1	ZINC000450411787	781428143	/nfs/dbraw/zinc/42/81/43/781428143.db2.gz	OWQWKCZRAJVULD-HZPDHXFCSA-N	1	0	353.382	1.909	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1	ZINC000431316622	781558660	/nfs/dbraw/zinc/55/86/60/781558660.db2.gz	DDWAGWNEBILXMG-SJLPKXTDSA-N	1	0	366.506	1.259	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCOC2)C[C@H]1c1ccccc1	ZINC001211553976	783349604	/nfs/dbraw/zinc/34/96/04/783349604.db2.gz	QJWQUJODVCOLSR-HSALFYBXSA-N	1	0	356.466	1.647	20	30		FDEDRO
C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)Nc1sccc1C#N	ZINC000892282118	783359325	/nfs/dbraw/zinc/35/93/25/783359325.db2.gz	KUVOPDNICLQQPT-GFCCVEGCSA-N	1	0	355.423	1.691	20	30		FDEDRO
C[N@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC000972348568	783394339	/nfs/dbraw/zinc/39/43/39/783394339.db2.gz	LEFSOWZPLGCGGN-SQNIBIBYSA-N	1	0	354.454	1.493	20	30		FDEDRO
C=CCn1c([C@@H]2CCO[C@@H]2C)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1	ZINC000647371487	783730952	/nfs/dbraw/zinc/73/09/52/783730952.db2.gz	RGJJSUUOWSRPIG-YYIAUSFCSA-N	1	0	363.506	1.902	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)COc3ccc(OCC)cc3)[C@H]2C1	ZINC001083265622	783795949	/nfs/dbraw/zinc/79/59/49/783795949.db2.gz	IKRKAPULQZACPY-RBUKOAKNSA-N	1	0	358.438	1.399	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@H]2O)C1	ZINC001025542037	790997174	/nfs/dbraw/zinc/99/71/74/790997174.db2.gz	JGWNHMSIJCMRQQ-BRWVUGGUSA-N	1	0	363.502	1.294	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1	ZINC000658471872	784117617	/nfs/dbraw/zinc/11/76/17/784117617.db2.gz	JRWSVWDIIZVTCQ-QGZVFWFLSA-N	1	0	363.502	1.372	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000658496457	784150357	/nfs/dbraw/zinc/15/03/57/784150357.db2.gz	BDNXFBBXQNFBHR-IBGZPJMESA-N	1	0	373.497	1.818	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2cc3n(n2)CCC3)C1	ZINC001024165896	784176657	/nfs/dbraw/zinc/17/66/57/784176657.db2.gz	XOUMCMGUBNGJJD-IPELMVKDSA-N	1	0	358.486	1.749	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1	ZINC000658517080	784211179	/nfs/dbraw/zinc/21/11/79/784211179.db2.gz	MGMSUGVENFOAKH-QZTJIDSGSA-N	1	0	365.518	1.808	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2nnc(C)[nH]2)C1	ZINC001024192235	784289373	/nfs/dbraw/zinc/28/93/73/784289373.db2.gz	PWTMTXSJQUCCAR-BQFCYCMXSA-N	1	0	361.490	1.813	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3C)C2)C1	ZINC001024461848	784756323	/nfs/dbraw/zinc/75/63/23/784756323.db2.gz	DHSXVWRHIKFSLA-IAGOWNOFSA-N	1	0	368.437	1.301	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1c1ccccc1	ZINC001211631300	784766644	/nfs/dbraw/zinc/76/66/44/784766644.db2.gz	CDBDKMOQMCTNNH-ZWKOTPCHSA-N	1	0	367.449	1.133	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(OC)n(C)n2)C[C@H]1c1ccccc1	ZINC001211631442	784792480	/nfs/dbraw/zinc/79/24/80/784792480.db2.gz	GMWBAJPQHFAUEK-FUHWJXTLSA-N	1	0	352.438	1.650	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1c1ccccc1	ZINC001211631620	784838687	/nfs/dbraw/zinc/83/86/87/784838687.db2.gz	IMIJFYFTAKMQHQ-OKZBNKHCSA-N	1	0	360.479	1.029	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001024490293	784889509	/nfs/dbraw/zinc/88/95/09/784889509.db2.gz	LGKAHRYGFSSDJD-SNRMKQJTSA-N	1	0	357.454	1.833	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCCO3)C[C@H]1c1ccccc1	ZINC001211632681	785068799	/nfs/dbraw/zinc/06/87/99/785068799.db2.gz	GWKGQKJPPAHBSN-PKOBYXMFSA-N	1	0	364.449	1.887	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1	ZINC000364790088	785193761	/nfs/dbraw/zinc/19/37/61/785193761.db2.gz	BSPCTDRMCZOATC-QGZVFWFLSA-N	1	0	373.453	1.516	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1	ZINC000658803305	785429453	/nfs/dbraw/zinc/42/94/53/785429453.db2.gz	RMHQNQODRUEZCW-KRWDZBQOSA-N	1	0	373.453	1.559	20	30		FDEDRO
N#Cc1ccc(F)c(CN2CCCC[C@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)c1	ZINC001024657031	785637929	/nfs/dbraw/zinc/63/79/29/785637929.db2.gz	WIGHNDYYILJJKA-XHSDSOJGSA-N	1	0	358.417	1.289	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)CC1	ZINC001024745744	785881666	/nfs/dbraw/zinc/88/16/66/785881666.db2.gz	IVTOAQPAEGGQJM-IAGOWNOFSA-N	1	0	361.486	1.049	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCCC(=O)N1)C2	ZINC001112528304	805688818	/nfs/dbraw/zinc/68/88/18/805688818.db2.gz	WAOWUAYAFVZRKV-QKLQHJQFSA-N	1	0	363.502	1.466	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1	ZINC001024863528	786656044	/nfs/dbraw/zinc/65/60/44/786656044.db2.gz	FBWWCCMORHXBAO-GPMSIDNRSA-N	1	0	356.426	1.238	20	30		FDEDRO
COC(=O)c1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)[nH]1	ZINC000431826875	787489134	/nfs/dbraw/zinc/48/91/34/787489134.db2.gz	ZWBXFFTUAPOMCO-UHFFFAOYSA-N	1	0	354.410	1.877	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)CC(C)(C)[NH3+])cc1	ZINC000658985557	787731015	/nfs/dbraw/zinc/73/10/15/787731015.db2.gz	AWEADGQBMCFJRV-UHFFFAOYSA-N	1	0	354.476	1.694	20	30		FDEDRO
N#Cc1cccc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2CC[C@@H](C(N)=O)O2)c1	ZINC001025082958	787761801	/nfs/dbraw/zinc/76/18/01/787761801.db2.gz	RIFPZFBOWAZQFW-FGTMMUONSA-N	1	0	370.453	1.062	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)Nc2cnccn2)C1	ZINC001104553088	787764350	/nfs/dbraw/zinc/76/43/50/787764350.db2.gz	TWUPWYGZANGQEK-IAGOWNOFSA-N	1	0	371.485	1.683	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](O)Cn2cccn2)C1	ZINC001104553963	787768813	/nfs/dbraw/zinc/76/88/13/787768813.db2.gz	KFNFLWBTBOAHBY-GUDVDZBRSA-N	1	0	360.502	1.512	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNS(C)(=O)=O)C1	ZINC001104562856	787918850	/nfs/dbraw/zinc/91/88/50/787918850.db2.gz	HCWSSYRDIOFECB-BZUAXINKSA-N	1	0	359.536	1.212	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2C(=O)CNC2=O)C1	ZINC001104564884	787948774	/nfs/dbraw/zinc/94/87/74/787948774.db2.gz	TWWDPCZRTNNZQV-BZUAXINKSA-N	1	0	364.490	1.215	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1	ZINC000978873826	805840582	/nfs/dbraw/zinc/84/05/82/805840582.db2.gz	HLZRHNARUVREPI-ADHGMGHFSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccnc(-n4ccnc4)c3)[C@H]2C1	ZINC001083279027	788133060	/nfs/dbraw/zinc/13/30/60/788133060.db2.gz	FCEXHDVQDLMRDR-DLBZAZTESA-N	1	0	353.426	1.369	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1CC[NH2+]Cc1ccccc1C#N	ZINC001104572782	788176268	/nfs/dbraw/zinc/17/62/68/788176268.db2.gz	SECBWSNOPVGLJX-ATZDWAIDSA-N	1	0	368.481	1.753	20	30		FDEDRO
CC(C)c1ccoc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104577291	788337053	/nfs/dbraw/zinc/33/70/53/788337053.db2.gz	LOPWOUYSXDWEPM-HUUCEWRRSA-N	1	0	360.458	1.731	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2csc(C)n2)C[C@H]1C	ZINC001104578335	788403023	/nfs/dbraw/zinc/40/30/23/788403023.db2.gz	SSPQGEYLVXZZEU-VNHYZAJKSA-N	1	0	364.515	1.830	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC(C)CC3)C2)CC1	ZINC001025292006	788440672	/nfs/dbraw/zinc/44/06/72/788440672.db2.gz	JSNLRHRNIBRLKQ-QZTJIDSGSA-N	1	0	363.502	1.153	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1	ZINC000973268018	788448253	/nfs/dbraw/zinc/44/82/53/788448253.db2.gz	KKRAODZHQMQGQF-ATIWLJMLSA-N	1	0	363.502	1.604	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C1	ZINC000973270936	788461478	/nfs/dbraw/zinc/46/14/78/788461478.db2.gz	PAHQVNYXZOIIAN-TVFCKZIOSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2ncccc2F)C[C@H]1C	ZINC001104585885	788722954	/nfs/dbraw/zinc/72/29/54/788722954.db2.gz	ZNEYRFIMHLCSIM-HUUCEWRRSA-N	1	0	362.449	1.140	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCCC2(F)F)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104587552	788736293	/nfs/dbraw/zinc/73/62/93/788736293.db2.gz	AHNYDSPBCPJGTE-KFWWJZLASA-N	1	0	370.444	1.526	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3cccnc32)C[C@H]1C	ZINC001104594042	788782509	/nfs/dbraw/zinc/78/25/09/788782509.db2.gz	NNDIKWHESDPXLI-BHIYHBOVSA-N	1	0	355.482	1.835	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[C@H](C(=O)N3CCCC3)O1)C2	ZINC001112528917	805913727	/nfs/dbraw/zinc/91/37/27/805913727.db2.gz	WNJMXONDFHXRKL-NYUBLWNDSA-N	1	0	373.497	1.008	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(=O)NC)C2)cc1	ZINC001211645308	788875109	/nfs/dbraw/zinc/87/51/09/788875109.db2.gz	YMOCIOJZDOTWKV-VQTJNVASSA-N	1	0	361.445	1.612	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1	ZINC001104627180	789021348	/nfs/dbraw/zinc/02/13/48/789021348.db2.gz	CRCTYKZHDLYNRL-RHSMWYFYSA-N	1	0	367.453	1.885	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC(N)=O)C2)C1	ZINC001104656986	789194489	/nfs/dbraw/zinc/19/44/89/789194489.db2.gz	MKXKHAMSUHXONY-MGPQQGTHSA-N	1	0	350.463	1.000	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2C)C[C@H]1c1ccccc1	ZINC001211646718	789245223	/nfs/dbraw/zinc/24/52/23/789245223.db2.gz	HMNCIFMSLQAPPE-GBESFXJTSA-N	1	0	353.466	1.605	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)CCC3CCN(C(C)=O)CC3)[C@H]2C1	ZINC001083280766	789263648	/nfs/dbraw/zinc/26/36/48/789263648.db2.gz	FYUPEYGWWJAPFG-RBUKOAKNSA-N	1	0	363.502	1.513	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cccc(-n3cccn3)n2)C[C@H]1C	ZINC001104667503	789274053	/nfs/dbraw/zinc/27/40/53/789274053.db2.gz	PLFQCDSOMMGIJH-IAGOWNOFSA-N	1	0	351.454	1.978	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1CC[NH2+]Cc1ccccc1C#N	ZINC001104675302	789283536	/nfs/dbraw/zinc/28/35/36/789283536.db2.gz	TUTYUUHNZBZVMW-FPDPHYFHSA-N	1	0	368.481	1.659	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ocnc2C(F)F)C[C@H]1C	ZINC001104683935	789390015	/nfs/dbraw/zinc/39/00/15/789390015.db2.gz	VQVYOMGJKRGRQJ-VXGBXAGGSA-N	1	0	368.384	1.049	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2csc(COC)n2)C1	ZINC001112019769	789446123	/nfs/dbraw/zinc/44/61/23/789446123.db2.gz	OTMBIZCRSCSAAL-KSSFIOAISA-N	1	0	363.483	1.524	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCc2ccnn2C)C1	ZINC001104699589	789519552	/nfs/dbraw/zinc/51/95/52/789519552.db2.gz	ZVRMCUJLPUJGQQ-RWQQGDIJSA-N	1	0	360.502	1.628	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(CF)CCC2)C[C@H]1C	ZINC001104699771	789520852	/nfs/dbraw/zinc/52/08/52/789520852.db2.gz	KBOCASYKNWNSRR-BZUAXINKSA-N	1	0	351.466	1.338	20	30		FDEDRO
COc1ccc(C[NH2+][C@H]2CCCN(Cc3nccn3C)C2=O)cc1C#N	ZINC000782977509	789537115	/nfs/dbraw/zinc/53/71/15/789537115.db2.gz	GJGZSMPSTTXOOG-INIZCTEOSA-N	1	0	353.426	1.581	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C[C@H]1C	ZINC001104707237	789578232	/nfs/dbraw/zinc/57/82/32/789578232.db2.gz	DCSMSEWTURRDLV-ZAWLATJESA-N	1	0	358.486	1.248	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cccc3[nH]ccc32)C[C@H]1C	ZINC001104712041	789651132	/nfs/dbraw/zinc/65/11/32/789651132.db2.gz	CVMGHMBLDOHAKZ-HZPDHXFCSA-N	1	0	366.465	1.605	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+]	ZINC000415020616	791216508	/nfs/dbraw/zinc/21/65/08/791216508.db2.gz	JPLDDHGUASTEMT-OAHLLOKOSA-N	1	0	373.457	1.808	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)n1	ZINC000377226524	791312866	/nfs/dbraw/zinc/31/28/66/791312866.db2.gz	WPSJNGOWYJDYDZ-MRXNPFEDSA-N	1	0	353.430	1.114	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CCN1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO	ZINC000377317965	791530617	/nfs/dbraw/zinc/53/06/17/791530617.db2.gz	SOJZVOHTKBWMDP-MSOLQXFVSA-N	1	0	356.470	1.808	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2	ZINC000415200881	791632499	/nfs/dbraw/zinc/63/24/99/791632499.db2.gz	CCAMDQWLKFCTFR-CXAGYDPISA-N	1	0	359.426	1.205	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1	ZINC001025691619	791835411	/nfs/dbraw/zinc/83/54/11/791835411.db2.gz	PEWPGYBNGHKOEO-IAGOWNOFSA-N	1	0	363.502	1.153	20	30		FDEDRO
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CC[NH2+]CC1	ZINC000415287180	791844145	/nfs/dbraw/zinc/84/41/45/791844145.db2.gz	WRBYLBXVUMCWLO-UHFFFAOYSA-N	1	0	365.393	1.424	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC2([NH3+])CCCCC2)cc1	ZINC000415292932	791851098	/nfs/dbraw/zinc/85/10/98/791851098.db2.gz	MTVSVESECZVJNG-UHFFFAOYSA-N	1	0	358.442	1.319	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](c2ccc(OC)nc2)C2CC2)CC1	ZINC000636675757	806103007	/nfs/dbraw/zinc/10/30/07/806103007.db2.gz	AAAQOHHFVPFLGS-SFHVURJKSA-N	1	0	372.469	1.424	20	30		FDEDRO
CCCN(C(=O)C(=O)Nc1cccc(OCCCC#N)c1)[C@@H]1CC[NH2+]C1	ZINC000415384413	792139538	/nfs/dbraw/zinc/13/95/38/792139538.db2.gz	CXBAFAXLYPEPEQ-MRXNPFEDSA-N	1	0	358.442	1.908	20	30		FDEDRO
C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000415523572	792432950	/nfs/dbraw/zinc/43/29/50/792432950.db2.gz	NLZFKNGXIBVMEI-NXEZZACHSA-N	1	0	370.331	1.591	20	30		FDEDRO
C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000415523578	792432971	/nfs/dbraw/zinc/43/29/71/792432971.db2.gz	NLZFKNGXIBVMEI-ZJUUUORDSA-N	1	0	370.331	1.591	20	30		FDEDRO
CN1CCN([C@H](C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c2ccccc2)CC1	ZINC000377666562	792459955	/nfs/dbraw/zinc/45/99/55/792459955.db2.gz	DRKUKBLPPGTSCA-UXHICEINSA-N	1	0	367.497	1.174	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1	ZINC000415575489	792570733	/nfs/dbraw/zinc/57/07/33/792570733.db2.gz	XEPYUHPHBVPEGN-OLZOCXBDSA-N	1	0	359.430	1.141	20	30		FDEDRO
C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000415615251	792707689	/nfs/dbraw/zinc/70/76/89/792707689.db2.gz	CAIMRVUCICSHLY-CABZTGNLSA-N	1	0	370.331	1.510	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)cc1	ZINC000415674142	792785429	/nfs/dbraw/zinc/78/54/29/792785429.db2.gz	HKRYQFBOYGZOEI-CQSZACIVSA-N	1	0	358.442	1.128	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1C(F)(F)F	ZINC001112040830	792788961	/nfs/dbraw/zinc/78/89/61/792788961.db2.gz	CJZWAOOKSTULMD-MGPQQGTHSA-N	1	0	361.408	1.942	20	30		FDEDRO
C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1	ZINC000415684186	792808732	/nfs/dbraw/zinc/80/87/32/792808732.db2.gz	DYDLJBWBMXKPQX-OAHLLOKOSA-N	1	0	370.331	1.593	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1	ZINC000415738130	792902587	/nfs/dbraw/zinc/90/25/87/792902587.db2.gz	DIFCYYCOCKOTJO-RYUDHWBXSA-N	1	0	364.352	1.166	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1	ZINC000415746906	792919652	/nfs/dbraw/zinc/91/96/52/792919652.db2.gz	NZFPCOCMYXFOAM-LSDHHAIUSA-N	1	0	356.426	1.400	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1	ZINC000415757015	792927893	/nfs/dbraw/zinc/92/78/93/792927893.db2.gz	BMHRCOHNUVYWBY-GJZGRUSLSA-N	1	0	356.426	1.494	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1C(F)(F)F	ZINC000415774248	792957571	/nfs/dbraw/zinc/95/75/71/792957571.db2.gz	XYHDWUIOVXEMLZ-BXUZGUMPSA-N	1	0	366.343	1.726	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1	ZINC000415770949	792968455	/nfs/dbraw/zinc/96/84/55/792968455.db2.gz	QVSGVSKQXMEOGR-NWDGAFQWSA-N	1	0	364.352	1.309	20	30		FDEDRO
CCCc1c(NC(=O)C(=O)NC[C@H]([NH3+])CC)cnn1-c1cccc(C#N)c1	ZINC000415797174	792997541	/nfs/dbraw/zinc/99/75/41/792997541.db2.gz	YILXHFVILDCRGQ-CQSZACIVSA-N	1	0	368.441	1.488	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1	ZINC000415807527	793013872	/nfs/dbraw/zinc/01/38/72/793013872.db2.gz	LEGCPTIVYWUPIF-CABCVRRESA-N	1	0	358.442	1.918	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)Cc3ccccc3)C[C@H]21	ZINC001026057041	793035374	/nfs/dbraw/zinc/03/53/74/793035374.db2.gz	ULDGSWCZOGLQIY-HMGBVJPOSA-N	1	0	356.466	1.228	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1	ZINC000415820707	793049085	/nfs/dbraw/zinc/04/90/85/793049085.db2.gz	LUUWVNBRFXXQRU-HZPDHXFCSA-N	1	0	370.453	1.744	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1	ZINC001087425254	806215071	/nfs/dbraw/zinc/21/50/71/806215071.db2.gz	MSKWYAZYQMYOAU-GDIGMMSISA-N	1	0	352.438	1.855	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)c1	ZINC000415836225	793124753	/nfs/dbraw/zinc/12/47/53/793124753.db2.gz	KAFWOXRUBLOGTC-CYBMUJFWSA-N	1	0	366.368	1.732	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1	ZINC000415879802	793276180	/nfs/dbraw/zinc/27/61/80/793276180.db2.gz	QHRQIYFSTLARGF-MSOLQXFVSA-N	1	0	370.453	1.550	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1	ZINC000415899060	793343573	/nfs/dbraw/zinc/34/35/73/793343573.db2.gz	ULYLUKOIZXYPSX-LSDHHAIUSA-N	1	0	356.426	1.352	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000979328654	806240475	/nfs/dbraw/zinc/24/04/75/806240475.db2.gz	FVGCRPYDZASGRJ-ZKZVPCBQSA-N	1	0	363.502	1.319	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc3cccnn32)C[C@H]1C	ZINC001104764918	793536659	/nfs/dbraw/zinc/53/66/59/793536659.db2.gz	WPDZGKCPEDGHJU-HZPDHXFCSA-N	1	0	369.469	1.324	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cn(C)nc3C)C2)nn1	ZINC001104769295	793555662	/nfs/dbraw/zinc/55/56/62/793555662.db2.gz	OHRNTCMPLHSMHN-GDBMZVCRSA-N	1	0	371.489	1.394	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCOCC(C)C)C2)nn1	ZINC001104769331	793556165	/nfs/dbraw/zinc/55/61/65/793556165.db2.gz	PVCZJFDLGZDIQY-IAGOWNOFSA-N	1	0	363.506	1.825	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ccn(CC)n3)C2)nn1	ZINC001104769554	793557188	/nfs/dbraw/zinc/55/71/88/793557188.db2.gz	YZQLCCFNKOMALN-HZPDHXFCSA-N	1	0	371.489	1.569	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1F	ZINC000290638353	793567258	/nfs/dbraw/zinc/56/72/58/793567258.db2.gz	AZPIGMDJOUGCLB-UHFFFAOYSA-N	1	0	374.416	1.207	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCN(C)S2(=O)=O)C[C@H]1C	ZINC001104782178	793630397	/nfs/dbraw/zinc/63/03/97/793630397.db2.gz	OTFQMMSVLBOYPN-BZUAXINKSA-N	1	0	357.520	1.061	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cccn3ccnc23)C[C@H]1C	ZINC001104787945	793684287	/nfs/dbraw/zinc/68/42/87/793684287.db2.gz	AGHVTXTUXOOLPD-IAGOWNOFSA-N	1	0	354.454	1.672	20	30		FDEDRO
C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C	ZINC001104803164	793765639	/nfs/dbraw/zinc/76/56/39/793765639.db2.gz	PSTHMPYRTLUEPA-HZPDHXFCSA-N	1	0	364.490	1.359	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)C2CCOCC2)C[C@H]1C	ZINC001104804037	793768183	/nfs/dbraw/zinc/76/81/83/793768183.db2.gz	KCMKQWBJFDCKAH-NVXWUHKLSA-N	1	0	351.491	1.180	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)NCc2nc(C#N)cs2)Cc2ccccc2C1	ZINC000893192636	793878821	/nfs/dbraw/zinc/87/88/21/793878821.db2.gz	ZNELRRCVBCCURU-UHFFFAOYSA-N	1	0	355.467	1.913	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C[C@H]1C	ZINC001104827861	793946685	/nfs/dbraw/zinc/94/66/85/793946685.db2.gz	JKLGFWAPBJZUFL-UKRRQHHQSA-N	1	0	362.474	1.779	20	30		FDEDRO
CCOCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC#CCOC)C1	ZINC001112054870	793968148	/nfs/dbraw/zinc/96/81/48/793968148.db2.gz	BHVVGGAPWHOMOY-ZIAGYGMSSA-N	1	0	350.381	1.432	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2c[nH]nc2C2CC2)C[C@H]1C	ZINC001104864079	794121971	/nfs/dbraw/zinc/12/19/71/794121971.db2.gz	ZUAQNZNGSKQXEP-IIAWOOMASA-N	1	0	371.485	1.113	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC2(C[C@@H]2C(=O)N(C)C2CC2)CC1	ZINC000378465528	794181699	/nfs/dbraw/zinc/18/16/99/794181699.db2.gz	WUHQACXVTOQUJJ-DOTOQJQBSA-N	1	0	360.502	1.717	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3nc[nH]c3C2)C[C@H]1C	ZINC001104881568	794201962	/nfs/dbraw/zinc/20/19/62/794201962.db2.gz	GZGMICGYKSOGJX-BRWVUGGUSA-N	1	0	358.486	1.239	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)cn2)C[C@H]1C	ZINC001104902397	794310388	/nfs/dbraw/zinc/31/03/88/794310388.db2.gz	RQTDWTJZVZBOAM-IAGOWNOFSA-N	1	0	351.454	1.978	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)Oc2ccccn2)C[C@H]1C	ZINC001104914559	794372925	/nfs/dbraw/zinc/37/29/25/794372925.db2.gz	RZEMYKHFGYMXOW-FGTMMUONSA-N	1	0	359.470	1.573	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1	ZINC000236681127	794387708	/nfs/dbraw/zinc/38/77/08/794387708.db2.gz	WPCGXPONDSXTMW-QFBILLFUSA-N	1	0	371.481	1.972	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H]2CCOC2)C1	ZINC001104921856	794398382	/nfs/dbraw/zinc/39/83/82/794398382.db2.gz	RKYQUUPTMWDHGV-KZNAEPCWSA-N	1	0	371.481	1.818	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCC)C1	ZINC001104921845	794398425	/nfs/dbraw/zinc/39/84/25/794398425.db2.gz	QNVWPRKLHUYJIY-IAGOWNOFSA-N	1	0	359.470	1.818	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N3CCCC3)C2)nc1	ZINC001104924119	794420456	/nfs/dbraw/zinc/42/04/56/794420456.db2.gz	GZSGXABTMVREKI-SJLPKXTDSA-N	1	0	368.481	1.373	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cn(CC)nn3)C2)nc1	ZINC001104924108	794420997	/nfs/dbraw/zinc/42/09/97/794420997.db2.gz	GVASTFNWYADSDX-NVXWUHKLSA-N	1	0	366.469	1.562	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)N(C)C)C2)cn1	ZINC001104927474	794433594	/nfs/dbraw/zinc/43/35/94/794433594.db2.gz	FZSRLTRMDZMJJX-BFYDXBDKSA-N	1	0	356.470	1.227	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](C)c3nnnn3C)C2)cn1	ZINC001104927531	794434436	/nfs/dbraw/zinc/43/44/36/794434436.db2.gz	IBVPDOUVSQVJCC-IJEWVQPXSA-N	1	0	367.457	1.035	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NCCC)C2)cn1	ZINC001104927745	794436712	/nfs/dbraw/zinc/43/67/12/794436712.db2.gz	RPNQUGHZGRWAFI-JFIYKMOQSA-N	1	0	370.497	1.665	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)c2ccccc2)C[C@H]1C	ZINC001104929364	794444312	/nfs/dbraw/zinc/44/43/12/794444312.db2.gz	QEWJQUIPJLDBSN-ZHALLVOQSA-N	1	0	355.482	1.614	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1	ZINC000974172237	794616983	/nfs/dbraw/zinc/61/69/83/794616983.db2.gz	PPGCMXQQGSNICN-ADHGMGHFSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1	ZINC000974182650	794664382	/nfs/dbraw/zinc/66/43/82/794664382.db2.gz	ANBRRLRPVMFHSJ-XDNAFOTISA-N	1	0	363.502	1.463	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)c2cccc(F)c2)C[C@H]1C	ZINC001104976725	794671829	/nfs/dbraw/zinc/67/18/29/794671829.db2.gz	ZPIIOTFDGNVXLG-NVXWUHKLSA-N	1	0	359.445	1.653	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cccc(-n3cnnn3)c2)C[C@H]1C	ZINC001104997188	794795658	/nfs/dbraw/zinc/79/56/58/794795658.db2.gz	VOBZULSEZNWBMU-NVXWUHKLSA-N	1	0	352.442	1.373	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H](CNc2ccnc(C#N)n2)CC(C)C)CC[N@@H+]1C	ZINC001105002107	794832036	/nfs/dbraw/zinc/83/20/36/794832036.db2.gz	UNVVPZXUBDCFCV-OWCLPIDISA-N	1	0	358.490	1.443	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@]3(CCCCO3)[C@H]2C#N)CC1	ZINC000364005319	794922258	/nfs/dbraw/zinc/92/22/58/794922258.db2.gz	KJVREAZDSKIMDP-UYAOXDASSA-N	1	0	362.518	1.903	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CCCOC2)C[C@H]1C	ZINC001105021346	794948484	/nfs/dbraw/zinc/94/84/84/794948484.db2.gz	QXSTVMWGBSLQTF-BRWVUGGUSA-N	1	0	351.491	1.180	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1CC[NH2+][C@H]1CCN(C)C1=O	ZINC001105045306	795046268	/nfs/dbraw/zinc/04/62/68/795046268.db2.gz	RMLMHBRFLRFULN-RLLQIKCJSA-N	1	0	367.493	1.733	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1	ZINC001105045139	795053190	/nfs/dbraw/zinc/05/31/90/795053190.db2.gz	OVOJQWSUFDZJSI-BHIYHBOVSA-N	1	0	357.498	1.981	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCCOC(C)C)C[C@H]1C	ZINC001105100235	795283188	/nfs/dbraw/zinc/28/31/88/795283188.db2.gz	HWCWOOJPXAXTDO-FGTMMUONSA-N	1	0	367.534	1.957	20	30		FDEDRO
CCOc1cnc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C2)cn1	ZINC001105115254	795334301	/nfs/dbraw/zinc/33/43/01/795334301.db2.gz	XNJIQFDMWOUOCZ-HZPDHXFCSA-N	1	0	360.458	1.213	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)C2=O)cc1	ZINC000417991358	795446514	/nfs/dbraw/zinc/44/65/14/795446514.db2.gz	KKWAEHOWURUJBW-INMHGKMJSA-N	1	0	355.442	1.623	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000418017541	795457713	/nfs/dbraw/zinc/45/77/13/795457713.db2.gz	YJCVUIXGPKMSHD-WBAXXEDZSA-N	1	0	369.469	1.965	20	30		FDEDRO
C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1	ZINC001026532589	795512312	/nfs/dbraw/zinc/51/23/12/795512312.db2.gz	OLIULGRBDHSBKB-GMNCBBECSA-N	1	0	365.518	1.459	20	30		FDEDRO
C[C@H](CCCC[NH3+])NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000418082635	795520152	/nfs/dbraw/zinc/52/01/52/795520152.db2.gz	XVALNQARAPOLTR-PBHICJAKSA-N	1	0	357.458	1.476	20	30		FDEDRO
C=CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3ccncc3)C2)nn1	ZINC001105243248	795533393	/nfs/dbraw/zinc/53/33/93/795533393.db2.gz	ZQLPZVTVRMTOHH-ZWKOTPCHSA-N	1	0	352.442	1.526	20	30		FDEDRO
C=CCN(C(=O)NCCNC(=O)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000364281556	795591073	/nfs/dbraw/zinc/59/10/73/795591073.db2.gz	MNPNUYYEODAUIU-LJQANCHMSA-N	1	0	370.497	1.985	20	30		FDEDRO
N#Cc1ccccc1N1CCCN(C(=O)NCCCN2CC[NH2+]CC2)CC1	ZINC000418286664	795700673	/nfs/dbraw/zinc/70/06/73/795700673.db2.gz	IHMCIIQKDRJHIC-UHFFFAOYSA-N	1	0	370.501	1.075	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC#N)C1	ZINC001211655707	795746471	/nfs/dbraw/zinc/74/64/71/795746471.db2.gz	UXRIOQIMLURXAJ-NZSAHSFTSA-N	1	0	368.481	1.813	20	30		FDEDRO
C=CCn1c(-c2nnn(C)c2C)nnc1N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1	ZINC000651512033	795776896	/nfs/dbraw/zinc/77/68/96/795776896.db2.gz	UUGUEZJHYPGRTO-SQWLQELKSA-N	1	0	370.505	1.735	20	30		FDEDRO
CC[NH2+]CCNC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000418328066	795791165	/nfs/dbraw/zinc/79/11/65/795791165.db2.gz	RFSVDMPSQWNGNE-UHFFFAOYSA-N	1	0	352.442	1.548	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)nn1	ZINC001105285156	795805287	/nfs/dbraw/zinc/80/52/87/795805287.db2.gz	GKNROIDGEUPPRM-STEAMIEHSA-N	1	0	373.501	1.921	20	30		FDEDRO
C=C(C)CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCO[C@H]3C3CC3)C2)nn1	ZINC001105288532	795819947	/nfs/dbraw/zinc/81/99/47/795819947.db2.gz	QJWPNPJDBQDZFT-MSOLQXFVSA-N	1	0	359.474	1.532	20	30		FDEDRO
C[NH2+]C[C@H](C)CNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000418381719	795846479	/nfs/dbraw/zinc/84/64/79/795846479.db2.gz	IFHZDUGLYUNAID-AWEZNQCLSA-N	1	0	369.473	1.413	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)NC[C@@H]([NH3+])c3ccccc3)CC2)c1	ZINC000418422778	795905929	/nfs/dbraw/zinc/90/59/29/795905929.db2.gz	DZZSLIWPMRWYEI-QGZVFWFLSA-N	1	0	350.426	1.485	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)NC[C@H]([NH3+])c3ccccc3)C2)nc1	ZINC000418453384	795941276	/nfs/dbraw/zinc/94/12/76/795941276.db2.gz	PBMVJHHQPUFBSA-SJORKVTESA-N	1	0	351.410	1.816	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000783264867	795941449	/nfs/dbraw/zinc/94/14/49/795941449.db2.gz	VPYBZGAWRSEPIJ-LSDHHAIUSA-N	1	0	357.520	1.539	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21	ZINC000974468947	796009299	/nfs/dbraw/zinc/00/92/99/796009299.db2.gz	OZSHBJLXQNJNKM-DJIMGWMZSA-N	1	0	355.442	1.044	20	30		FDEDRO
Cc1ccc(-n2nc(CCCNC(=O)NCCCC[NH3+])c(C#N)c2N)cc1	ZINC000418504397	796015614	/nfs/dbraw/zinc/01/56/14/796015614.db2.gz	ACLCCHNDAIUSEL-UHFFFAOYSA-N	1	0	369.473	1.605	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCCn2nccc21)C(C)C	ZINC000636561632	796056742	/nfs/dbraw/zinc/05/67/42/796056742.db2.gz	XNBRDGUYZOJFGT-AEFFLSMTSA-N	1	0	373.501	1.649	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2c(Cl)cnn2C)C1	ZINC001111750056	796062766	/nfs/dbraw/zinc/06/27/66/796062766.db2.gz	KCHUQGLCAFCYOJ-GUYCJALGSA-N	1	0	350.850	1.308	20	30		FDEDRO
Cn1cccc1C(O)=CONC(=[NH2+])c1cccc(CN2CCOCC2)c1	ZINC000195478269	796211925	/nfs/dbraw/zinc/21/19/25/796211925.db2.gz	MEAGBSZTZZFHPJ-UHFFFAOYSA-N	1	0	356.426	1.377	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H]3CCN(C(=O)CCn4cncn4)[C@@H]3C2)s1	ZINC001075555547	796251158	/nfs/dbraw/zinc/25/11/58/796251158.db2.gz	BCHRYACTSSHPSI-XJKSGUPXSA-N	1	0	356.455	1.334	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1	ZINC000979855775	806563922	/nfs/dbraw/zinc/56/39/22/806563922.db2.gz	HLZRHNARUVREPI-TXTZMMAHSA-N	1	0	363.502	1.463	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000979874521	806574416	/nfs/dbraw/zinc/57/44/16/806574416.db2.gz	PQBKREGANUWELO-XNFNUYLZSA-N	1	0	367.493	1.562	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC2CCC(NC(=O)c3ccc(C#N)[nH]3)CC2)CC[N@@H+]1C	ZINC000980127645	806780040	/nfs/dbraw/zinc/78/00/40/806780040.db2.gz	LYAGWISZKUHBPE-UWLZSVRSSA-N	1	0	357.458	1.384	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[N@@H+](CCc2cnn(C)c2)CC1(C)C	ZINC000974589023	799853970	/nfs/dbraw/zinc/85/39/70/799853970.db2.gz	RSPSQPKXBVSDHD-SQNIBIBYSA-N	1	0	360.502	1.770	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cnc(C)n2C)C[C@H]1c1ccccc1	ZINC001211658957	800039355	/nfs/dbraw/zinc/03/93/55/800039355.db2.gz	BZRQRMLACQPMAB-RBUKOAKNSA-N	1	0	366.465	1.576	20	30		FDEDRO
C=C(C)Cn1c(-c2ccc(=O)n(C)c2)nnc1N1CC[NH+](CCC)CC1	ZINC000909340268	800120512	/nfs/dbraw/zinc/12/05/12/800120512.db2.gz	SWIVPNLZSSQFEU-UHFFFAOYSA-N	1	0	356.474	1.752	20	30		FDEDRO
C=CC[C@@]1(C(=O)N[C@H](C)c2cccc(S(=O)(=O)NC)c2)CCC[NH2+]1	ZINC000662565549	806846537	/nfs/dbraw/zinc/84/65/37/806846537.db2.gz	DEMQELMPQGOVDW-DYVFJYSZSA-N	1	0	351.472	1.470	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)c4conc4C)[C@@H]3C2)CC1	ZINC000974972288	800622927	/nfs/dbraw/zinc/62/29/27/800622927.db2.gz	BYJPEDMLUUIILM-SJLPKXTDSA-N	1	0	370.453	1.001	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]21	ZINC000974977722	800631999	/nfs/dbraw/zinc/63/19/99/800631999.db2.gz	XAHRBXRPQZDTTK-ZTFGCOKTSA-N	1	0	354.454	1.581	20	30		FDEDRO
C=C(C)Cn1c(-c2ccc(=O)n(C)c2)nnc1N1CC[N@H+](C)C(C)(C)C1	ZINC000909345556	800864411	/nfs/dbraw/zinc/86/44/11/800864411.db2.gz	XVMBVLPRDFMYOF-UHFFFAOYSA-N	1	0	356.474	1.750	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ncnn2CC)C1	ZINC001027113571	800977496	/nfs/dbraw/zinc/97/74/96/800977496.db2.gz	DKAOFMVFHSXDHS-RYRKJORJSA-N	1	0	361.490	1.607	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000975213777	801009343	/nfs/dbraw/zinc/00/93/43/801009343.db2.gz	MVOBNRBBAIXQDH-JCGIZDLHSA-N	1	0	371.485	1.585	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21	ZINC000975216195	801013837	/nfs/dbraw/zinc/01/38/37/801013837.db2.gz	YUPICQNMVAUDOU-FRFSOERESA-N	1	0	355.442	1.044	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000975316674	801129952	/nfs/dbraw/zinc/12/99/52/801129952.db2.gz	JVNAMVDITGTWGT-QILLFSRXSA-N	1	0	371.485	1.585	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3CC)C2)CC1	ZINC000975327892	801154481	/nfs/dbraw/zinc/15/44/81/801154481.db2.gz	GRKFNHYBSXQFBN-YQVWRLOYSA-N	1	0	359.514	1.733	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC000975432575	801345378	/nfs/dbraw/zinc/34/53/78/801345378.db2.gz	YTPBPMRYNCIQMY-GPMSIDNRSA-N	1	0	368.481	1.372	20	30		FDEDRO
C=CC[C@@]1(C(=O)N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CCC[NH2+]1	ZINC000662646857	806923009	/nfs/dbraw/zinc/92/30/09/806923009.db2.gz	PCQJSSPTVJAOIP-XLIONFOSSA-N	1	0	373.453	1.624	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)c4ccon4)C[C@@H]32)CC1	ZINC000975599486	801660484	/nfs/dbraw/zinc/66/04/84/801660484.db2.gz	YMFVBLUCESVIEJ-YJBOKZPZSA-N	1	0	370.453	1.083	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCCN(CC(=O)N(CC)CC)CC2)CCC[NH2+]1	ZINC000662672550	806944016	/nfs/dbraw/zinc/94/40/16/806944016.db2.gz	CJQAWWLYJPEQLA-IBGZPJMESA-N	1	0	350.507	1.087	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@H]2C1	ZINC000975700750	802062421	/nfs/dbraw/zinc/06/24/21/802062421.db2.gz	GAQDGVLHBLCXBO-LPHOPBHVSA-N	1	0	362.433	1.811	20	30		FDEDRO
C=CC[C@]1(C(=O)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)CCC[NH2+]1	ZINC000662685836	806958489	/nfs/dbraw/zinc/95/84/89/806958489.db2.gz	YUOWNWNCHDWEPO-YLJYHZDGSA-N	1	0	356.470	1.773	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)CC4CCC4)[C@H]3C2)CC1	ZINC000975754254	802207868	/nfs/dbraw/zinc/20/78/68/802207868.db2.gz	HGCZYRWVZGKJOJ-ICSRJNTNSA-N	1	0	371.525	1.971	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)CSC)[C@H]3C2)CC1	ZINC000975754519	802208276	/nfs/dbraw/zinc/20/82/76/802208276.db2.gz	LYXFNUVEGJVTPR-RDJZCZTQSA-N	1	0	363.527	1.144	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1CC[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@H]2C1)[NH+](C)C	ZINC000975759689	802287315	/nfs/dbraw/zinc/28/73/15/802287315.db2.gz	ZUTFTFWZHJZVFV-WBAXXEDZSA-N	1	0	371.485	1.536	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CCN(C(=O)[C@@H]4CCC[N@H+]4C)[C@H]3C2)cn1	ZINC000975836091	802552773	/nfs/dbraw/zinc/55/27/73/802552773.db2.gz	IIKUZGZCVOTMDJ-SNRMKQJTSA-N	1	0	366.465	1.220	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000661117074	802755442	/nfs/dbraw/zinc/75/54/42/802755442.db2.gz	NVLZYSRHCTWRQV-CZUORRHYSA-N	1	0	351.472	1.997	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@H]2C1	ZINC000975974045	802764419	/nfs/dbraw/zinc/76/44/19/802764419.db2.gz	NJZDNDHJWXVMGG-IEZWGBDMSA-N	1	0	368.481	1.971	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@H]2C1	ZINC000976024465	802884438	/nfs/dbraw/zinc/88/44/38/802884438.db2.gz	KDWRPWAAXBOFJA-MPGHIAIKSA-N	1	0	369.469	1.434	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCC(C(=O)NCc3cccnc3)CC2)CCC[NH2+]1	ZINC000662788876	803247677	/nfs/dbraw/zinc/24/76/77/803247677.db2.gz	VQRDUHQDKFPENV-HXUWFJFHSA-N	1	0	356.470	1.635	20	30		FDEDRO
C=CC[C@@H]1CCCN(CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)C1	ZINC000661376642	803401775	/nfs/dbraw/zinc/40/17/75/803401775.db2.gz	FMKGXARDNYLUIL-SJORKVTESA-N	1	0	356.532	1.946	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)CCC1	ZINC001112525186	803444761	/nfs/dbraw/zinc/44/47/61/803444761.db2.gz	DYRNPTITLPGYRJ-JXFKEZNVSA-N	1	0	358.486	1.591	20	30		FDEDRO
C=C(C)CS(=O)(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21	ZINC000651841183	803455293	/nfs/dbraw/zinc/45/52/93/803455293.db2.gz	JHTKSKMPHNAJII-MSOLQXFVSA-N	1	0	350.484	1.868	20	30		FDEDRO
C=CC[C@@]1(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)CCC[NH2+]1	ZINC000662819558	803480215	/nfs/dbraw/zinc/48/02/15/803480215.db2.gz	HNDVIJRFGFRTTG-GUYCJALGSA-N	1	0	350.440	1.036	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](CC(C)C)OC)C2	ZINC001112526071	804451899	/nfs/dbraw/zinc/45/18/99/804451899.db2.gz	RBUNDPSFXLAFIL-NSHGMRRFSA-N	1	0	350.503	1.916	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@H](Cc2nc(C)no2)c2ccccc2)CC1	ZINC000759927086	804763795	/nfs/dbraw/zinc/76/37/95/804763795.db2.gz	DHOGNJOPSGZOGQ-GOSISDBHSA-N	1	0	367.453	1.029	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2CC3(CC3)C2)C[C@H]1c1ccccc1	ZINC001211673534	804833583	/nfs/dbraw/zinc/83/35/83/804833583.db2.gz	ORZPDDQLUXDCDX-RBUKOAKNSA-N	1	0	365.477	1.510	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)CCc1cnccn1	ZINC000669034296	804855953	/nfs/dbraw/zinc/85/59/53/804855953.db2.gz	KBAFXQWSGDYASV-SJORKVTESA-N	1	0	369.473	1.469	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)C12CC[NH+](CC1)C2	ZINC000977793620	804940788	/nfs/dbraw/zinc/94/07/88/804940788.db2.gz	DKUUIOPCVTZYOY-BBWFWOEESA-N	1	0	361.486	1.123	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1	ZINC000423350379	815050617	/nfs/dbraw/zinc/05/06/17/815050617.db2.gz	ZDQFVVAPDJCKDZ-ZWKOTPCHSA-N	1	0	365.518	1.936	20	30		FDEDRO
CC[C@H](NC(C)=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC#CCOC)C1	ZINC001211680182	805502499	/nfs/dbraw/zinc/50/24/99/805502499.db2.gz	KKIPXDNUELCISN-SLFFLAALSA-N	1	0	371.481	1.135	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000278889823	806991520	/nfs/dbraw/zinc/99/15/20/806991520.db2.gz	OBEUDUBKKYVKMK-GJZGRUSLSA-N	1	0	357.458	1.796	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(CN3CCCC3)on1)C2	ZINC001112531026	806992268	/nfs/dbraw/zinc/99/22/68/806992268.db2.gz	AQTJMVIUIBENJR-JXFKEZNVSA-N	1	0	356.470	1.736	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1	ZINC000980581179	807083817	/nfs/dbraw/zinc/08/38/17/807083817.db2.gz	MZEAAKPQAWRNNH-DZVNLGKHSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@H]1c1ccccc1	ZINC001211696245	807170681	/nfs/dbraw/zinc/17/06/81/807170681.db2.gz	CCYODTPYSUQYDF-FUHWJXTLSA-N	1	0	352.438	1.888	20	30		FDEDRO
COc1ccc(CN2C[C@@H](NC(=O)c3ccccc3C)[C@@H](O)C2)cc1C#N	ZINC001083318924	807322474	/nfs/dbraw/zinc/32/24/74/807322474.db2.gz	RBVVQUXDJMYVGC-MOPGFXCFSA-N	1	0	365.433	1.850	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCc2ccnn2C)C1	ZINC001112532682	807476984	/nfs/dbraw/zinc/47/69/84/807476984.db2.gz	QHYHCYKQUWREEZ-KRQVXIAISA-N	1	0	372.513	1.772	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)N[C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1	ZINC000981195666	807678991	/nfs/dbraw/zinc/67/89/91/807678991.db2.gz	VZYGYYOYLKCJMD-GOEBONIOSA-N	1	0	371.485	1.633	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)c[nH]1	ZINC000981194417	807699476	/nfs/dbraw/zinc/69/94/76/807699476.db2.gz	FBZRVTPYYPZVGW-FDQGKXFDSA-N	1	0	369.469	1.243	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@]2(C)CC[NH2+]C2)cc1	ZINC000663584605	807775615	/nfs/dbraw/zinc/77/56/15/807775615.db2.gz	QIAYHOPLYIPZFH-MRXNPFEDSA-N	1	0	352.460	1.367	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000981435187	808039262	/nfs/dbraw/zinc/03/92/62/808039262.db2.gz	WDIHFDSTPCOOJV-JOCLIGHLSA-N	1	0	371.525	1.779	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)C(=O)N3CCC[C@H]3C[NH3+])CC2)c(F)c1	ZINC000423644877	815175975	/nfs/dbraw/zinc/17/59/75/815175975.db2.gz	KDCMUNDJZQNMCW-AWEZNQCLSA-N	1	0	374.416	1.017	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@H](C)C3CC3)C2)CC1	ZINC000981544859	808116184	/nfs/dbraw/zinc/11/61/84/808116184.db2.gz	SFPATYVIIBDXHE-JTDSTZFVSA-N	1	0	359.514	1.779	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1)C(C)C	ZINC000663669601	808421635	/nfs/dbraw/zinc/42/16/35/808421635.db2.gz	ZILCCRXILWORKB-OKZBNKHCSA-N	1	0	362.518	1.995	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)COCc2nncn2C)C[C@H]1c1ccccc1	ZINC001211700689	808436924	/nfs/dbraw/zinc/43/69/24/808436924.db2.gz	PKPJTGDDEMSMOR-DLBZAZTESA-N	1	0	355.442	1.102	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)c1	ZINC000981784584	808490951	/nfs/dbraw/zinc/49/09/51/808490951.db2.gz	QLEFOJMCIFUDMX-FUHWJXTLSA-N	1	0	366.465	1.173	20	30		FDEDRO
C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[C@@H]3N3CCCC3=O)C2)C1	ZINC000981820774	808556184	/nfs/dbraw/zinc/55/61/84/808556184.db2.gz	JDODHGCQSHIUEF-MSOLQXFVSA-N	1	0	357.498	1.725	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@]2(C)CCNC2=O)C1	ZINC001087437196	808934306	/nfs/dbraw/zinc/93/43/06/808934306.db2.gz	FNNQWBIWUYADDL-OPYAIIAOSA-N	1	0	353.466	1.510	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2CCN(C(C)=O)CC2)C[C@H]1c1ccccc1	ZINC001211720557	809263319	/nfs/dbraw/zinc/26/33/19/809263319.db2.gz	KVMXKZYJFTWRFP-LEWJYISDSA-N	1	0	367.493	1.852	20	30		FDEDRO
C=C(CC)CNC(=O)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1	ZINC000418887054	809296123	/nfs/dbraw/zinc/29/61/23/809296123.db2.gz	MGVOUHHBCMDIRZ-UHFFFAOYSA-N	1	0	373.501	1.665	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@H]1c1ccccc1	ZINC001211723579	809313962	/nfs/dbraw/zinc/31/39/62/809313962.db2.gz	XYPNRHAWLLSJSK-DOTOQJQBSA-N	1	0	368.437	1.260	20	30		FDEDRO
CC1(CNC(=O)C(=O)NCCSCc2ccccc2C#N)CC[NH2+]CC1	ZINC000418923362	809317274	/nfs/dbraw/zinc/31/72/74/809317274.db2.gz	NKYZOUYRYXZSBW-UHFFFAOYSA-N	1	0	374.510	1.414	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1	ZINC000418931973	809324439	/nfs/dbraw/zinc/32/44/39/809324439.db2.gz	FMKJJLCHRTWLRE-QGZVFWFLSA-N	1	0	359.470	1.891	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2COCCN2C(C)=O)C[C@H]1c1ccccc1	ZINC001211723946	809337270	/nfs/dbraw/zinc/33/72/70/809337270.db2.gz	BZPRPVJGMZYGRN-XUVXKRRUSA-N	1	0	371.481	1.394	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)CCC)C[C@H]1c1ccccc1	ZINC001211723955	809337298	/nfs/dbraw/zinc/33/72/98/809337298.db2.gz	CQNALHYXKHSGJN-ZWKOTPCHSA-N	1	0	362.495	1.419	20	30		FDEDRO
C[C@@H](C[NH3+])N(C)C(=O)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	ZINC000419039456	809445982	/nfs/dbraw/zinc/44/59/82/809445982.db2.gz	VSXMUTXPFMQORQ-JEYLPNPQSA-N	1	0	358.442	1.170	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)NC(=O)NCCC)C[C@H]1c1ccccc1	ZINC001211730321	809675539	/nfs/dbraw/zinc/67/55/39/809675539.db2.gz	WIPFBYTZLCLPGW-ZWKOTPCHSA-N	1	0	370.497	1.692	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)N2CCC2)C1	ZINC001211732388	809773437	/nfs/dbraw/zinc/77/34/37/809773437.db2.gz	DXQUCJDYLBZHCB-RBUKOAKNSA-N	1	0	371.481	1.396	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)CS(C)(=O)=O)C[C@H]1c1ccccc1	ZINC001211732584	809813616	/nfs/dbraw/zinc/81/36/16/809813616.db2.gz	PFOIFNWXHUDMPM-RYQLBKOJSA-N	1	0	364.511	1.827	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2c3c(nn2C(C)C)CCC3)CC1	ZINC000473367323	809816306	/nfs/dbraw/zinc/81/63/06/809816306.db2.gz	HQSDSLVFSPIKGE-UHFFFAOYSA-N	1	0	359.474	1.658	20	30		FDEDRO
COC(=O)[C@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)[C@H]([NH3+])CCCC#N	ZINC000424156904	815320364	/nfs/dbraw/zinc/32/03/64/815320364.db2.gz	RMTGMPAPDKMVGS-ZBFHGGJFSA-N	1	0	360.389	1.528	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H](CC)C(N)=O)C1	ZINC001211736486	809922001	/nfs/dbraw/zinc/92/20/01/809922001.db2.gz	UCVITBPGNPYGHZ-RCCFBDPRSA-N	1	0	359.470	1.427	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)N(C)C)C1	ZINC001211736545	809922473	/nfs/dbraw/zinc/92/24/73/809922473.db2.gz	XCNJNHWCJGSBAO-RYQLBKOJSA-N	1	0	359.470	1.250	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)C[C@H]1c1ccccc1	ZINC001211736265	809926205	/nfs/dbraw/zinc/92/62/05/809926205.db2.gz	OVEFIODMDHVBKM-KSZLIROESA-N	1	0	356.470	1.690	20	30		FDEDRO
COc1cc(CNC(=O)c2cnccc2C#N)ccc1OCC[NH+](C)C	ZINC000512593638	809958420	/nfs/dbraw/zinc/95/84/20/809958420.db2.gz	QJDJQVMUMBMQPG-UHFFFAOYSA-N	1	0	354.410	1.832	20	30		FDEDRO
C#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCCNC2=O)C1	ZINC001087455895	810070907	/nfs/dbraw/zinc/07/09/07/810070907.db2.gz	UGPHZBNODCIVBY-KZNAEPCWSA-N	1	0	357.429	1.259	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCC(C)(C)[C@]2(O)CCCOC2)CC1	ZINC000664015497	810169883	/nfs/dbraw/zinc/16/98/83/810169883.db2.gz	IMHYVAWZTHWCOY-IBGZPJMESA-N	1	0	353.507	1.894	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1	ZINC000664015569	810169943	/nfs/dbraw/zinc/16/99/43/810169943.db2.gz	JBLGBKRZTYVOFR-HNNXBMFYSA-N	1	0	350.507	1.973	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000249135385	810225846	/nfs/dbraw/zinc/22/58/46/810225846.db2.gz	DPPNCEAEFGLVIB-ZNMIVQPWSA-N	1	0	358.442	1.857	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)[C@@H](C)C1	ZINC000249145599	810227889	/nfs/dbraw/zinc/22/78/89/810227889.db2.gz	GIDLOTVQOGMANT-ZFWWWQNUSA-N	1	0	374.489	1.637	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(CC#N)CC[C@@H]2c2cccc(F)c2)C1	ZINC001087458242	810254499	/nfs/dbraw/zinc/25/44/99/810254499.db2.gz	RJSXAPHPZHFVOJ-ATZDWAIDSA-N	1	0	358.461	1.965	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)CC[C@@H]1c1cccc(F)c1	ZINC001087458450	810266179	/nfs/dbraw/zinc/26/61/79/810266179.db2.gz	CAIGMTAICUIGSJ-MKXGPGLRSA-N	1	0	362.445	1.683	20	30		FDEDRO
N#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1	ZINC001087459543	810502409	/nfs/dbraw/zinc/50/24/09/810502409.db2.gz	JSKAJZSCKJJPQF-QZTJIDSGSA-N	1	0	356.445	1.719	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@](CC)(C(=O)OC)c1ccccc1	ZINC000419353271	810600983	/nfs/dbraw/zinc/60/09/83/810600983.db2.gz	LELZDSQRASJXGZ-LIRRHRJNSA-N	1	0	361.442	1.497	20	30		FDEDRO
C=CCn1cc(CNC(=O)C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)nn1	ZINC000424538493	815382740	/nfs/dbraw/zinc/38/27/40/815382740.db2.gz	DDKPLVAZIVDATP-KRWDZBQOSA-N	1	0	370.457	1.020	20	30		FDEDRO
C[C@@H]1CC2(CN1C(=O)C(=O)NCCOc1ccc(C#N)cc1)CC[NH2+]CC2	ZINC000424518181	815384047	/nfs/dbraw/zinc/38/40/47/815384047.db2.gz	HJWRECKPXZXAFC-OAHLLOKOSA-N	1	0	370.453	1.044	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000261764758	810762721	/nfs/dbraw/zinc/76/27/21/810762721.db2.gz	OQCQSKGDEFKMHR-FJIDUMEYSA-N	1	0	364.534	1.420	20	30		FDEDRO
C=CCCn1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nn1	ZINC000424603466	815396398	/nfs/dbraw/zinc/39/63/98/815396398.db2.gz	MOAXEFSTHUEDLM-UHFFFAOYSA-N	1	0	352.442	1.930	20	30		FDEDRO
C[C@@H]1CC[N@H+](CCNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1	ZINC000894186005	810855898	/nfs/dbraw/zinc/85/58/98/810855898.db2.gz	SMKDTNRFPSWKTQ-RBSFLKMASA-N	1	0	365.478	1.386	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](O)c4ccccc4)C[C@H]32)c1	ZINC001075658754	810910316	/nfs/dbraw/zinc/91/03/16/810910316.db2.gz	RRZHOVBLOMYXFP-QXAKKESOSA-N	1	0	350.422	1.766	20	30		FDEDRO
C[C@H](OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)N(C)CCC#N	ZINC000729252515	811076475	/nfs/dbraw/zinc/07/64/75/811076475.db2.gz	FDHNLYLGGRGRCX-LBPRGKRZSA-N	1	0	371.353	1.698	20	30		FDEDRO
Cc1ccccc1CCC[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1	ZINC001083390218	811177187	/nfs/dbraw/zinc/17/71/87/811177187.db2.gz	HIHDHBNIBFHUDV-MOPGFXCFSA-N	1	0	352.438	1.603	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCc4ccccc4C3)C[C@@H]2O)c1	ZINC001083392777	811208395	/nfs/dbraw/zinc/20/83/95/811208395.db2.gz	YHCYHRARHOFPJY-XMCHAPAWSA-N	1	0	364.449	1.466	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N1CCN(c2cccs2)CC1	ZINC000261669218	811295296	/nfs/dbraw/zinc/29/52/96/811295296.db2.gz	BWMSDBYFVDZVGW-HNNXBMFYSA-N	1	0	373.530	1.608	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)N1CCN(c2ccccn2)CC1	ZINC000261680414	811296777	/nfs/dbraw/zinc/29/67/77/811296777.db2.gz	QHWRKAPSJOFTQS-KBAYOESNSA-N	1	0	355.486	1.737	20	30		FDEDRO
CC[NH+]=C(NC[C@@](C)(O)c1ccco1)N1CCO[C@@H](c2cnn(C)c2)C1	ZINC000261832603	811329369	/nfs/dbraw/zinc/32/93/69/811329369.db2.gz	VPVLINZIRCOXJJ-CRAIPNDOSA-N	1	0	361.446	1.260	20	30		FDEDRO
C[NH+]=C(NCc1ccc(F)c(F)c1)N[C@H]1CCc2nc(COC)nn2C1	ZINC000261934136	811346582	/nfs/dbraw/zinc/34/65/82/811346582.db2.gz	CAPYMNDRLZDAIL-LBPRGKRZSA-N	1	0	364.400	1.383	20	30		FDEDRO
Cc1nnc(CNC(=[NH+]C2CC2)N2CC[C@@H](C)[C@H](n3ccnc3)C2)n1C	ZINC000261955845	811352148	/nfs/dbraw/zinc/35/21/48/811352148.db2.gz	ISAJHVLCKKFTLK-CZUORRHYSA-N	1	0	356.478	1.511	20	30		FDEDRO
C[NH+]=C(NCc1nnc(C)n1C)N(C)Cc1nc(-c2ccccc2)c[nH]1	ZINC000261977262	811359924	/nfs/dbraw/zinc/35/99/24/811359924.db2.gz	NXNBUZHLVORUHB-UHFFFAOYSA-N	1	0	352.446	1.721	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1	ZINC001087464975	811402992	/nfs/dbraw/zinc/40/29/92/811402992.db2.gz	OXLXUHYGBTYMQY-QXAKKESOSA-N	1	0	371.456	1.601	20	30		FDEDRO
CN(C)C(=O)C[NH+]=C(NCc1ccccn1)N[C@@H]1CCc2ccccc2C1	ZINC000262309941	811438311	/nfs/dbraw/zinc/43/83/11/811438311.db2.gz	PMJBYBDSIGGXRY-GOSISDBHSA-N	1	0	365.481	1.763	20	30		FDEDRO
C[NH+]=C(NCc1ccnc(N2CCCC2)c1)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000262446704	811469101	/nfs/dbraw/zinc/46/91/01/811469101.db2.gz	IXBRBSXCGMPUAP-QGZVFWFLSA-N	1	0	367.501	1.980	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCC2)N1CC[C@H](c2ccc(OC)cc2)C1	ZINC000262450098	811470376	/nfs/dbraw/zinc/47/03/76/811470376.db2.gz	JPTNVBKAHLNHHE-HNNXBMFYSA-N	1	0	354.458	1.798	20	30		FDEDRO
C[NH+]=C(NCc1cn2ccccc2n1)N1CCN(C(=O)c2ccco2)CC1	ZINC000262530316	811486683	/nfs/dbraw/zinc/48/66/83/811486683.db2.gz	HXQKTTOQAODTNZ-UHFFFAOYSA-N	1	0	366.425	1.461	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1	ZINC001087465314	811488998	/nfs/dbraw/zinc/48/89/98/811488998.db2.gz	IDIKEBQEZJHWRV-SJLPKXTDSA-N	1	0	370.428	1.693	20	30		FDEDRO
N#Cc1ccc(C[C@H](C#N)C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1	ZINC000280158113	811730659	/nfs/dbraw/zinc/73/06/59/811730659.db2.gz	BTYVHLZBVQMCSB-RBUKOAKNSA-N	1	0	352.438	1.421	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](CNC(=O)[C@@H]3C[C@H]3CCC)C2)CC1	ZINC000982861848	811740355	/nfs/dbraw/zinc/74/03/55/811740355.db2.gz	ATKKRDPCMNLSBN-BHIYHBOVSA-N	1	0	359.514	1.733	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1	ZINC000280723740	811914206	/nfs/dbraw/zinc/91/42/06/811914206.db2.gz	IDDKYEZYKDIDIM-CABCVRRESA-N	1	0	358.442	1.372	20	30		FDEDRO
N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCC1CC[NH+](CCO)CC1	ZINC000419466399	811977120	/nfs/dbraw/zinc/97/71/20/811977120.db2.gz	VSTKUUWIRBOAFE-LJQANCHMSA-N	1	0	356.470	1.939	20	30		FDEDRO
C[C@H](C[NH3+])N(C)C(=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1	ZINC000419652222	812060365	/nfs/dbraw/zinc/06/03/65/812060365.db2.gz	VIOQOBTXNPVFLS-CQSZACIVSA-N	1	0	350.422	1.647	20	30		FDEDRO
O=C(NCC#Cc1cccc(F)c1)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1	ZINC000419683165	812089201	/nfs/dbraw/zinc/08/92/01/812089201.db2.gz	WTJLPJQKFRGFDL-IEBWSBKVSA-N	1	0	371.456	1.674	20	30		FDEDRO
N#Cc1cccc(CCNC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)c1	ZINC000419710846	812101400	/nfs/dbraw/zinc/10/14/00/812101400.db2.gz	REUWAARSOIGECR-RTBURBONSA-N	1	0	368.481	1.598	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3CCC(C4CC4)CC3)CC2)o1	ZINC000366448562	812115117	/nfs/dbraw/zinc/11/51/17/812115117.db2.gz	VKQNXYKGWQMRBC-UHFFFAOYSA-N	1	0	357.458	1.625	20	30		FDEDRO
C[C@@H]1C[NH+](CCCNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C[C@@H](C)O1	ZINC000280762273	812216795	/nfs/dbraw/zinc/21/67/95/812216795.db2.gz	ISPRFUAIVOHHEY-MDZRGWNJSA-N	1	0	354.454	1.856	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1	ZINC000419891844	812277945	/nfs/dbraw/zinc/27/79/45/812277945.db2.gz	NRVQCEVGEWOGHD-YJBOKZPZSA-N	1	0	356.470	1.800	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1	ZINC000419932390	812292834	/nfs/dbraw/zinc/29/28/34/812292834.db2.gz	DOPMZMAEPSPFRT-KRWDZBQOSA-N	1	0	356.470	1.803	20	30		FDEDRO
CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N(Cc1ccc(C#N)cc1)C1CC1	ZINC000420175038	813513485	/nfs/dbraw/zinc/51/34/85/813513485.db2.gz	ZPDSMYQKNQCCLX-SFHVURJKSA-N	1	0	368.481	1.944	20	30		FDEDRO
C=CCc1cc(C[NH2+]Cc2cn(C)c(=O)n(C)c2=O)cc(OC)c1OC	ZINC000237128667	813798526	/nfs/dbraw/zinc/79/85/26/813798526.db2.gz	FOYUOIKAIMYNGO-UHFFFAOYSA-N	1	0	359.426	1.120	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCCC2)N[C@@H](C)Cc1c(C)nn(C)c1C	ZINC000261844482	814217893	/nfs/dbraw/zinc/21/78/93/814217893.db2.gz	XBLMJQQFHDWONJ-LBPRGKRZSA-N	1	0	358.494	1.261	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1	ZINC000367089361	814318685	/nfs/dbraw/zinc/31/86/85/814318685.db2.gz	JJKYOJCDGGIERO-OALUTQOASA-N	1	0	372.469	1.752	20	30		FDEDRO
CC(C)(CC#N)CNC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000422101763	814391041	/nfs/dbraw/zinc/39/10/41/814391041.db2.gz	QPVUTLMIEKLRTG-KRWDZBQOSA-N	1	0	356.470	1.823	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(C(=O)Nc3cc(C)n(CCC#N)n3)CC2)c1	ZINC000272103135	814570515	/nfs/dbraw/zinc/57/05/15/814570515.db2.gz	OZUAEILGHKTMCG-UHFFFAOYSA-N	1	0	369.429	1.863	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](O)CCc2ccccc2)CC1	ZINC000273370468	814793498	/nfs/dbraw/zinc/79/34/98/814793498.db2.gz	VPVIUOJTYKOKMH-KRWDZBQOSA-N	1	0	362.474	1.505	20	30		FDEDRO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C	ZINC000422546429	814828049	/nfs/dbraw/zinc/82/80/49/814828049.db2.gz	UQSDEBZZCVZGEB-OTWHNJEPSA-N	1	0	355.482	1.985	20	30		FDEDRO
COc1ccc(CN2C[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)nn1	ZINC001075709338	815765429	/nfs/dbraw/zinc/76/54/29/815765429.db2.gz	GASDHXWTJRZFQB-BLLLJJGKSA-N	1	0	352.398	1.031	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cc(CO)ccc2F)C1	ZINC001028812989	815818283	/nfs/dbraw/zinc/81/82/83/815818283.db2.gz	REHJHXATYVEMJI-WDYCEAGBSA-N	1	0	362.445	1.847	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]Cc1nnc(C)n1C1CC1	ZINC001167956841	815830527	/nfs/dbraw/zinc/83/05/27/815830527.db2.gz	KXOJFBIABQUZDY-WMZOPIPTSA-N	1	0	361.490	1.889	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3CCC[C@@H]3O)cn2)CC1	ZINC000329844213	815921578	/nfs/dbraw/zinc/92/15/78/815921578.db2.gz	XPPNCSKGBPXFOY-IRXDYDNUSA-N	1	0	361.490	1.388	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000505678420	816023859	/nfs/dbraw/zinc/02/38/59/816023859.db2.gz	PYPHNSQNOAHQGI-QGZVFWFLSA-N	1	0	371.481	1.924	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3nc(C)nn3C2)C[C@H]1C(F)(F)F	ZINC001112135595	816110008	/nfs/dbraw/zinc/11/00/08/816110008.db2.gz	FELWKEVANHQCJM-BFHYXJOUSA-N	1	0	371.407	1.704	20	30		FDEDRO
Cc1oc(C#N)cc1C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000435701814	816150503	/nfs/dbraw/zinc/15/05/03/816150503.db2.gz	UPQWCJMTRYEFIN-UHFFFAOYSA-N	1	0	354.410	1.681	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCn2nc(C)nc2C)C1	ZINC001028861509	816293754	/nfs/dbraw/zinc/29/37/54/816293754.db2.gz	UBTGGHQMNGHZEG-BZSNNMDCSA-N	1	0	361.490	1.314	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCN(c3ccccc3F)C2)nc1	ZINC000515637934	816354309	/nfs/dbraw/zinc/35/43/09/816354309.db2.gz	JFNZBXPFYOOXAB-OAHLLOKOSA-N	1	0	374.441	1.735	20	30		FDEDRO
N#Cc1cncnc1NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1	ZINC000515836610	816466468	/nfs/dbraw/zinc/46/64/68/816466468.db2.gz	FAHKGWYIYHFSSM-UHFFFAOYSA-N	1	0	350.426	1.080	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H](NC(C)=O)c2cccs2)c1C#N	ZINC000516150623	816663574	/nfs/dbraw/zinc/66/35/74/816663574.db2.gz	XVFDZVZOEDGZKM-CQSZACIVSA-N	1	0	374.470	1.701	20	30		FDEDRO
C=CCN(C[C@@H](O)C[N@H+](C)C1CC1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000516216444	816708768	/nfs/dbraw/zinc/70/87/68/816708768.db2.gz	HIFUXLLBOKEMEA-KXBFYZLASA-N	1	0	356.474	1.666	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCc1ccc(CC#N)cc1	ZINC000516281346	816732369	/nfs/dbraw/zinc/73/23/69/816732369.db2.gz	RSRCMIDUMSKSSY-SFHVURJKSA-N	1	0	371.485	1.495	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCO)C1	ZINC001112137933	816744251	/nfs/dbraw/zinc/74/42/51/816744251.db2.gz	LAKYIBRGZQPXLE-UMVBOHGHSA-N	1	0	352.397	1.577	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)Nc2cccc(C#N)n2)ccc1OCC[NH+](C)C	ZINC000516288305	816752425	/nfs/dbraw/zinc/75/24/25/816752425.db2.gz	ZFHSXQYXKNALRS-UHFFFAOYSA-N	1	0	367.409	1.779	20	30		FDEDRO
CC[NH+]=C(NCC1(CO)CCOCC1)N1CC[C@H](C)[C@@H](n2ccnc2)C1	ZINC000261945151	817150307	/nfs/dbraw/zinc/15/03/07/817150307.db2.gz	FRVOKJKUUZOQCW-IRXDYDNUSA-N	1	0	363.506	1.521	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21	ZINC000425824640	817178394	/nfs/dbraw/zinc/17/83/94/817178394.db2.gz	ZLTMIWUWTHZZHV-GOEBONIOSA-N	1	0	356.426	1.448	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H](C)c2cccc(C#N)c2)CC1	ZINC000425879299	817283766	/nfs/dbraw/zinc/28/37/66/817283766.db2.gz	ZMFMHHOAZQYAFX-OAHLLOKOSA-N	1	0	372.469	1.305	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1cccc(C[N@@H+](C)CC)c1	ZINC000425884628	817305116	/nfs/dbraw/zinc/30/51/16/817305116.db2.gz	NPZZBGOKBQEXQV-ROUUACIJSA-N	1	0	359.470	1.462	20	30		FDEDRO
C[C@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1	ZINC000439397392	817957868	/nfs/dbraw/zinc/95/78/68/817957868.db2.gz	PLMNSFJZAAEDJU-CYBMUJFWSA-N	1	0	359.430	1.276	20	30		FDEDRO
C[NH+]=C(NCc1ccnc(OC2CCOCC2)c1)N1CC[C@@]2(CCOC2)C1	ZINC000261997519	818015496	/nfs/dbraw/zinc/01/54/96/818015496.db2.gz	SUCSOHSLVFOSAN-HXUWFJFHSA-N	1	0	374.485	1.827	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C)S(C)(=O)=O)C[C@]2(C)C1	ZINC001101280124	818034815	/nfs/dbraw/zinc/03/48/15/818034815.db2.gz	HBUCBLKPSYXBQX-JZXOWHBKSA-N	1	0	356.532	1.946	20	30		FDEDRO
CCOc1ccc([C@@H]2CCN(CC#N)C[C@@H]2NC(=O)[C@H]2CC[N@H+](C)C2)cc1	ZINC001087471683	818083557	/nfs/dbraw/zinc/08/35/57/818083557.db2.gz	PKEYFKLLTVWTON-IHPCNDPISA-N	1	0	370.497	1.835	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO	ZINC000894500785	818132269	/nfs/dbraw/zinc/13/22/69/818132269.db2.gz	WLUJSYZJYSHBKJ-OTWHNJEPSA-N	1	0	354.454	1.786	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2cnnn2C)C1	ZINC001087474255	818247306	/nfs/dbraw/zinc/24/73/06/818247306.db2.gz	UCWVMLOBKFJPDL-ROUUACIJSA-N	1	0	367.453	1.435	20	30		FDEDRO
N#CCOc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1	ZINC000983647798	818359684	/nfs/dbraw/zinc/35/96/84/818359684.db2.gz	CTNFYYLGUYGACL-MUIFIZLQSA-N	1	0	358.398	1.239	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1	ZINC001087476495	818377643	/nfs/dbraw/zinc/37/76/43/818377643.db2.gz	PPSZTIIZWWGXFC-BZSNNMDCSA-N	1	0	357.454	1.434	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CCC[N@@H+]2C)nc1	ZINC000983676499	818522607	/nfs/dbraw/zinc/52/26/07/818522607.db2.gz	VIHSDKUSNMGRBY-HHXXYDBFSA-N	1	0	368.481	1.514	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NCC[NH2+]C1CCCCCC1	ZINC000519587905	818605937	/nfs/dbraw/zinc/60/59/37/818605937.db2.gz	JDDGXRRUGIQMIJ-UHFFFAOYSA-N	1	0	358.442	1.934	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc3n(n2)CCC3)C1	ZINC000983698986	818607838	/nfs/dbraw/zinc/60/78/38/818607838.db2.gz	UJFDSASJWQEPCL-RGCFKVTRSA-N	1	0	358.486	1.795	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@@](C)(NCC(=O)OC(C)(C)C)C1	ZINC000440491813	818689322	/nfs/dbraw/zinc/68/93/22/818689322.db2.gz	IDKPUGGPKAKPER-HNAYVOBHSA-N	1	0	366.506	1.390	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]Cc2cnnn2CC)CC1	ZINC001029146851	818934900	/nfs/dbraw/zinc/93/49/00/818934900.db2.gz	WNSHGVVDKNFMEO-OLMNPRSZSA-N	1	0	361.490	1.606	20	30		FDEDRO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1	ZINC000664941265	818973258	/nfs/dbraw/zinc/97/32/58/818973258.db2.gz	XRRDLNNJHPIJTN-KRWDZBQOSA-N	1	0	369.469	1.687	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1	ZINC000519657581	818989203	/nfs/dbraw/zinc/98/92/03/818989203.db2.gz	GOUCBYVEKTVWNA-IBGZPJMESA-N	1	0	373.497	1.909	20	30		FDEDRO
CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1	ZINC000519834272	819083137	/nfs/dbraw/zinc/08/31/37/819083137.db2.gz	SYCPDZSQNAHWHW-QGZVFWFLSA-N	1	0	369.469	1.875	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N[C@H](C)C1CC1	ZINC001167990767	819397015	/nfs/dbraw/zinc/39/70/15/819397015.db2.gz	BEPRURFRJMKHJN-HFTRVMKXSA-N	1	0	351.491	1.368	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)NCc2ccc(N3CCOCC3)nc2)CC1	ZINC000328649116	819522679	/nfs/dbraw/zinc/52/26/79/819522679.db2.gz	ILYSUPLNBDIZJS-UHFFFAOYSA-N	1	0	361.490	1.796	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H]2COc3ccccc3O2)C1	ZINC000328657195	819524801	/nfs/dbraw/zinc/52/48/01/819524801.db2.gz	ONSDUPILGVULPT-CVEARBPZSA-N	1	0	363.458	1.687	20	30		FDEDRO
C[C@H](O)CN1CCN(C(=O)Nc2cn(Cc3ccccc3)nn2)C[C@H]1C	ZINC000328743146	819542443	/nfs/dbraw/zinc/54/24/43/819542443.db2.gz	NFPFXLOCESNNCE-CABCVRRESA-N	1	0	358.446	1.259	20	30		FDEDRO
Cc1cc([C@@H]2CCCN(C(=O)N[C@H](C)CC[NH+]3CCN(C)CC3)C2)[nH]n1	ZINC000328755124	819545128	/nfs/dbraw/zinc/54/51/28/819545128.db2.gz	SSLWLMFBDXLVDK-NVXWUHKLSA-N	1	0	362.522	1.838	20	30		FDEDRO
Cn1ccnc(N2CCC[C@@H](NC(=O)C3CC[NH+](C4CC4)CC3)C2)c1=O	ZINC000328764004	819546264	/nfs/dbraw/zinc/54/62/64/819546264.db2.gz	ONIVDTCJGMMSID-OAHLLOKOSA-N	1	0	359.474	1.580	20	30		FDEDRO
CC(=O)N1CC[C@@H](C(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C)CC2)C1	ZINC000328948330	819585908	/nfs/dbraw/zinc/58/59/08/819585908.db2.gz	BTONIFWWTTVCRD-MRXNPFEDSA-N	1	0	372.469	1.921	20	30		FDEDRO
CC(=O)N1CCN(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)[C@H](C)C1	ZINC000330500400	819621498	/nfs/dbraw/zinc/62/14/98/819621498.db2.gz	OPLQWQRXSGOFRI-GFCCVEGCSA-N	1	0	361.446	1.730	20	30		FDEDRO
COC(=O)C1(CNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CCCCC1	ZINC000331269971	819672100	/nfs/dbraw/zinc/67/21/00/819672100.db2.gz	FQDFWFSMJWLFRS-OAHLLOKOSA-N	1	0	369.506	1.801	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1	ZINC000459028012	819867025	/nfs/dbraw/zinc/86/70/25/819867025.db2.gz	NJKUGFJXMWDMHY-UXHICEINSA-N	1	0	372.513	1.789	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccnc(F)c3)[C@H]2CC)C1=O	ZINC001087517317	820320818	/nfs/dbraw/zinc/32/08/18/820320818.db2.gz	QTKFPIXIBUCJPG-ARFHVFGLSA-N	1	0	360.433	1.590	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2)CC[N@@H+]1Cc1cc(C#N)ccc1OC	ZINC001087521596	820391726	/nfs/dbraw/zinc/39/17/26/820391726.db2.gz	MSONIQUVCIFZDT-GVDBMIGSSA-N	1	0	370.453	1.315	20	30		FDEDRO
O=C(N1C[C@H]2CC[C@@H](C1)N2CC#Cc1ccc(F)cc1)[C@]12C[C@H]1COC2	ZINC001029314693	820543386	/nfs/dbraw/zinc/54/33/86/820543386.db2.gz	BBOLHBANXRGLKA-ROPHOZQPSA-N	1	0	354.425	1.889	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000984036173	820627989	/nfs/dbraw/zinc/62/79/89/820627989.db2.gz	AFMUOOKTQWQSES-SOLBZPMBSA-N	1	0	371.485	1.680	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)c1	ZINC000984060689	820680595	/nfs/dbraw/zinc/68/05/95/820680595.db2.gz	HFWZKIYXJSCDQA-AYBZRNKSSA-N	1	0	368.481	1.372	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1	ZINC000520780454	820685752	/nfs/dbraw/zinc/68/57/52/820685752.db2.gz	AHYQLGMKSFHYIB-MRXNPFEDSA-N	1	0	370.453	1.982	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)[C@H]2CCC[N@@H+]2C)c1	ZINC000984063005	820689716	/nfs/dbraw/zinc/68/97/16/820689716.db2.gz	VAEBOJKVTUHYBC-AYOQOUSVSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2N(C)C(C)=O)CC1	ZINC000442265731	821104629	/nfs/dbraw/zinc/10/46/29/821104629.db2.gz	AJNPKLLISGZIKU-UHFFFAOYSA-N	1	0	358.442	1.374	20	30		FDEDRO
C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CCCN(O)C1=O	ZINC000895160225	821209716	/nfs/dbraw/zinc/20/97/16/821209716.db2.gz	LCLZKVIZBWALSI-XJKSGUPXSA-N	1	0	359.426	1.811	20	30		FDEDRO
COCCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ncc(C#N)cc1F	ZINC001126537995	821401739	/nfs/dbraw/zinc/40/17/39/821401739.db2.gz	MAQFGAFXYFHYNQ-UKRRQHHQSA-N	1	0	363.437	1.002	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cnnn2CC)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087562391	821494332	/nfs/dbraw/zinc/49/43/32/821494332.db2.gz	WAUHLDLIGGMIAD-DLBZAZTESA-N	1	0	352.442	1.953	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3cncs3)[C@H]2CC)C1=O	ZINC001087612378	821739161	/nfs/dbraw/zinc/73/91/61/821739161.db2.gz	LTBKUSWIZMAQMB-XHSDSOJGSA-N	1	0	362.499	1.442	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1(O)CN(C(=O)OC(C)(C)C)C1	ZINC000895206913	821851142	/nfs/dbraw/zinc/85/11/42/821851142.db2.gz	NQTRVMSILSOZAG-CQSZACIVSA-N	1	0	353.463	1.657	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)NC2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087635270	821853304	/nfs/dbraw/zinc/85/33/04/821853304.db2.gz	SBFXSNQUWQMGLW-GBESFXJTSA-N	1	0	353.466	1.533	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087715064	822174046	/nfs/dbraw/zinc/17/40/46/822174046.db2.gz	QPXUZMWEVHVSGF-UEXGIBASSA-N	1	0	353.466	1.676	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3occc3C)[C@H]2CC)C1=O	ZINC001087716844	822179813	/nfs/dbraw/zinc/17/98/13/822179813.db2.gz	GOSZPDVQIRYCTA-GVDBMIGSSA-N	1	0	359.470	1.887	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CCc3cnn(CC)c3)[C@@H]2CC)nn1	ZINC001087753926	822369013	/nfs/dbraw/zinc/36/90/13/822369013.db2.gz	FKKNSDZOOVWHBA-FUHWJXTLSA-N	1	0	371.489	1.506	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2nccn3ccnc23)C[C@H]1C(F)(F)F	ZINC001112167620	822404006	/nfs/dbraw/zinc/40/40/06/822404006.db2.gz	VPIHMWLNEMCTKD-VXGBXAGGSA-N	1	0	351.332	1.345	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1	ZINC000984353642	822425538	/nfs/dbraw/zinc/42/55/38/822425538.db2.gz	VWBYSRHDIZNJNX-KURKYZTESA-N	1	0	363.502	1.369	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCN(C(C)=O)C2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087812143	822475911	/nfs/dbraw/zinc/47/59/11/822475911.db2.gz	XRFZUFUOHCBRIV-SLFFLAALSA-N	1	0	368.481	1.896	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)Cn2cncn2)CC[N@@H+]1Cc1ccc(OC)c(C#N)c1	ZINC001087820276	822498996	/nfs/dbraw/zinc/49/89/96/822498996.db2.gz	UOZJQHMTOXXVFH-DLBZAZTESA-N	1	0	368.441	1.328	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3ccn(C)n3)[C@@H]2CC)CC1	ZINC001087840295	822559127	/nfs/dbraw/zinc/55/91/27/822559127.db2.gz	QCHCDCVYIFWAEL-RBUKOAKNSA-N	1	0	357.502	1.234	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3ncccn3)[C@@H]2CC)CC1	ZINC001087840412	822559779	/nfs/dbraw/zinc/55/97/79/822559779.db2.gz	WORPBAAYQCUBEE-ZWKOTPCHSA-N	1	0	355.486	1.291	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N[C@H]2CC[N@H+](CC(=O)NC)[C@@H]2CC)cc1	ZINC001087842296	822570007	/nfs/dbraw/zinc/57/00/07/822570007.db2.gz	MHYAVUFQQZFYBI-ZWKOTPCHSA-N	1	0	359.470	1.509	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCc4ccccc43)C[C@@H]2O)c[nH]1	ZINC001083418572	822639339	/nfs/dbraw/zinc/63/93/39/822639339.db2.gz	PGLKBEYEWMEZIL-YSGRDPCXSA-N	1	0	364.449	1.781	20	30		FDEDRO
N#Cc1ccc(N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c(CS(N)(=O)=O)c1	ZINC000895570440	822654330	/nfs/dbraw/zinc/65/43/30/822654330.db2.gz	SYNGYWMKECCATO-JKSUJKDBSA-N	1	0	366.512	1.338	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3cc[n+]([O-])cc3)C[C@@H]2C1	ZINC001087874649	822672474	/nfs/dbraw/zinc/67/24/74/822672474.db2.gz	HQXLUQGEJYZBMS-UXHICEINSA-N	1	0	362.433	1.786	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cc(C)on4)C[C@@H]3C2)C1=O	ZINC001087876945	822686655	/nfs/dbraw/zinc/68/66/55/822686655.db2.gz	DGZOXOFENTXHMI-HLLBOEOZSA-N	1	0	358.442	1.164	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCC(=O)N2Cc3ccccc3C2)CC1	ZINC000474328090	822718351	/nfs/dbraw/zinc/71/83/51/822718351.db2.gz	KKRFAXLHNFLIAS-UHFFFAOYSA-N	1	0	356.470	1.869	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4COCCO4)C[C@@H]3C2)s1	ZINC001087893474	822745472	/nfs/dbraw/zinc/74/54/72/822745472.db2.gz	JUNCBNGNPOCJCX-KEYYUXOJSA-N	1	0	361.467	1.315	20	30		FDEDRO
C#CC[NH+]1CCC(Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CC1	ZINC000895804087	822752891	/nfs/dbraw/zinc/75/28/91/822752891.db2.gz	MYDNSOWWPBRUBT-UHFFFAOYSA-N	1	0	366.443	1.355	20	30		FDEDRO
C#CC[NH+]1CCC(Nc2ncccc2S(=O)(=O)N2CCCCC2)CC1	ZINC000895807509	822753797	/nfs/dbraw/zinc/75/37/97/822753797.db2.gz	QEZPMJZVWFIAJU-UHFFFAOYSA-N	1	0	362.499	1.766	20	30		FDEDRO
C=C[C@](C)(O)Cc1nc(-c2ccc(C(=O)N3CCN(C)CC3)cc2)no1	ZINC000896022683	823942081	/nfs/dbraw/zinc/94/20/81/823942081.db2.gz	YVOSMHRFYDMZAT-IBGZPJMESA-N	1	0	356.426	1.604	20	30		FDEDRO
Cn1ncc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)s4)CC[C@@H]3C2)c1N	ZINC001087942940	824029027	/nfs/dbraw/zinc/02/90/27/824029027.db2.gz	AHOCNDNSYXIEQS-OLZOCXBDSA-N	1	0	370.482	1.530	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@@H]2C1)n1cncn1	ZINC001087940655	824038240	/nfs/dbraw/zinc/03/82/40/824038240.db2.gz	RLUWPZFDSARZCZ-IPELMVKDSA-N	1	0	364.453	1.691	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2cc3n(n2)CCC3)C1	ZINC001029845469	828609825	/nfs/dbraw/zinc/60/98/25/828609825.db2.gz	IOXHPRURXLCMBD-LZQZEXGQSA-N	1	0	358.486	1.701	20	30		FDEDRO
CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CSCC#N)[C@H](OC)C1)C1CCCC1	ZINC001211886567	824161245	/nfs/dbraw/zinc/16/12/45/824161245.db2.gz	OWQXHTWVQCTBTL-OWCLPIDISA-N	1	0	355.504	1.264	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2c[nH]nc2I)CC1	ZINC000896521132	824476788	/nfs/dbraw/zinc/47/67/88/824476788.db2.gz	QVGHJNPJWQWDNV-UHFFFAOYSA-N	1	0	372.210	1.232	20	30		FDEDRO
CNC(=O)[C@H]1CN(C(=O)CC[N@@H+]2CCCC[C@@H]2C)C[C@@H]1c1cnn(C)c1	ZINC000329020626	824534714	/nfs/dbraw/zinc/53/47/14/824534714.db2.gz	SMWLNXFZVSVNIA-UAGQMJEPSA-N	1	0	361.490	1.813	20	30		FDEDRO
Cn1cc(N2CCC[C@H](NC(=O)N3CCCC34CC[NH+](C)CC4)C2=O)cn1	ZINC000329065226	824553983	/nfs/dbraw/zinc/55/39/83/824553983.db2.gz	KTKHIVAVIJHQNI-INIZCTEOSA-N	1	0	374.489	1.390	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCO[C@]3(CCCOC3)C2)C1	ZINC000329091400	824574515	/nfs/dbraw/zinc/57/45/15/824574515.db2.gz	WWSYBWXBDYQEQN-IEBWSBKVSA-N	1	0	369.506	1.181	20	30		FDEDRO
Cc1ccc(NC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)cc1N1CCNC1=O	ZINC000329150868	824632425	/nfs/dbraw/zinc/63/24/25/824632425.db2.gz	ZTBAFLWLVSEKLW-IRXDYDNUSA-N	1	0	373.457	1.679	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccnc(N(C)C)c1	ZINC001029480625	824652575	/nfs/dbraw/zinc/65/25/75/824652575.db2.gz	CTYDCICLJPGUGR-HCXYKTFWSA-N	1	0	370.497	1.914	20	30		FDEDRO
Cc1noc([C@@H]2CN(C(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)CCN2C)n1	ZINC000329210791	824670699	/nfs/dbraw/zinc/67/06/99/824670699.db2.gz	YWWHLVBRRYAFHF-HOTGVXAUSA-N	1	0	362.478	1.597	20	30		FDEDRO
Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1	ZINC000329250678	824695833	/nfs/dbraw/zinc/69/58/33/824695833.db2.gz	XSUJIVQMIZTTFY-ULQDDVLXSA-N	1	0	361.490	1.828	20	30		FDEDRO
COc1cc(NC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)ccn1	ZINC000329424481	824780653	/nfs/dbraw/zinc/78/06/53/824780653.db2.gz	IDGQATBJYIRTAF-UHFFFAOYSA-N	1	0	361.490	1.985	20	30		FDEDRO
Cc1nn(C(C)(C)C)cc1C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1	ZINC000329462752	824811776	/nfs/dbraw/zinc/81/17/76/824811776.db2.gz	TVBILOLJKRJWPE-INIZCTEOSA-N	1	0	361.490	1.946	20	30		FDEDRO
O=C(Cc1nc2ncccn2n1)NCC1([NH+]2CCCCC2)CCOCC1	ZINC000329486840	824829429	/nfs/dbraw/zinc/82/94/29/824829429.db2.gz	REVZWJBISFYDIQ-UHFFFAOYSA-N	1	0	358.446	1.658	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCCN(c3ccc(C)nn3)C2)C1	ZINC000329568317	824887726	/nfs/dbraw/zinc/88/77/26/824887726.db2.gz	HZTOVKIOKOQSPQ-IAGOWNOFSA-N	1	0	360.506	1.989	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)CC[NH+]1CCCCC1	ZINC000984790468	824920936	/nfs/dbraw/zinc/92/09/36/824920936.db2.gz	UAKIODYHRYCBDQ-ZWKOTPCHSA-N	1	0	371.485	1.872	20	30		FDEDRO
N#Cc1ccccc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC000984821893	825021149	/nfs/dbraw/zinc/02/11/49/825021149.db2.gz	WZHJQHVJMGPFPN-ZXFNITATSA-N	1	0	354.454	1.444	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(OC)ns2)C1	ZINC000984826565	825033580	/nfs/dbraw/zinc/03/35/80/825033580.db2.gz	WLVJJJOUTMMHRA-GBOPCIDUSA-N	1	0	351.472	1.727	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnnn2CCCC)C1	ZINC000984826690	825034605	/nfs/dbraw/zinc/03/46/05/825034605.db2.gz	ZFPCZIMZSABZGS-FPCVCCKLSA-N	1	0	362.478	1.049	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@]3(C4CCCC4)CCNC3=O)C[C@@H]2C1	ZINC001087999217	825053031	/nfs/dbraw/zinc/05/30/31/825053031.db2.gz	BILSZHQOVLZRKD-LLGFUMIMSA-N	1	0	357.498	1.487	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnc(C)o3)CC[C@@H]2C1	ZINC001087998201	825076049	/nfs/dbraw/zinc/07/60/49/825076049.db2.gz	WSAJEGCUKCLQSS-AOIWGVFYSA-N	1	0	356.470	1.361	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cncs3)CC[C@@H]2C1	ZINC001087998203	825076766	/nfs/dbraw/zinc/07/67/66/825076766.db2.gz	WWTXXRQKCYNWIW-RYRKJORJSA-N	1	0	358.511	1.521	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCO[C@H]3c3cnn(C)c3)C[C@@H]2C1	ZINC001087998722	825080188	/nfs/dbraw/zinc/08/01/88/825080188.db2.gz	YACVFTXZSXQSGH-LULLPPNCSA-N	1	0	356.470	1.301	20	30		FDEDRO
CC(C)(C(N)=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)CC[C@@H]2C1	ZINC001088001562	825120356	/nfs/dbraw/zinc/12/03/56/825120356.db2.gz	QPGRWFXRYMJMOM-SJORKVTESA-N	1	0	354.454	1.350	20	30		FDEDRO
N#Cc1cc(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)ccn1	ZINC000475652702	828744223	/nfs/dbraw/zinc/74/42/23/828744223.db2.gz	BHZZBZPZGMNFKK-UHFFFAOYSA-N	1	0	365.441	1.075	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H]3C[N@H+]([C@H](CC)C(N)=O)CC[C@@H]3C2)cc1	ZINC001088016723	825275027	/nfs/dbraw/zinc/27/50/27/825275027.db2.gz	RWRUIZUKCXDRFA-ZIFCJYIRSA-N	1	0	371.481	1.909	20	30		FDEDRO
O=C(C[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1)N1CCN(C(=O)Nc2ccccc2)CC1	ZINC000329678946	825286441	/nfs/dbraw/zinc/28/64/41/825286441.db2.gz	XGGDCPDPJWWDOJ-RYQLBKOJSA-N	1	0	372.469	1.079	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1	ZINC000522549894	825312780	/nfs/dbraw/zinc/31/27/80/825312780.db2.gz	SWULBJNXYYASHR-QWFCFKBJSA-N	1	0	363.550	1.531	20	30		FDEDRO
C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1	ZINC000329716400	825362707	/nfs/dbraw/zinc/36/27/07/825362707.db2.gz	WKIUYGMTCHGCRA-HUUCEWRRSA-N	1	0	364.490	1.287	20	30		FDEDRO
Cc1n[nH]cc1CNC(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1	ZINC000329745217	825416714	/nfs/dbraw/zinc/41/67/14/825416714.db2.gz	RBWJEAJEMRVXMG-UHFFFAOYSA-N	1	0	357.418	1.027	20	30		FDEDRO
COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CC[C@H]([NH+]3CCCCC3)C1)CC2	ZINC000329793321	825459676	/nfs/dbraw/zinc/45/96/76/825459676.db2.gz	AYRPVRLJFZJQOE-CABCVRRESA-N	1	0	362.478	1.214	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CC(=O)N(c4ccccc4F)C3)[C@H]2C1	ZINC000329810747	825475656	/nfs/dbraw/zinc/47/56/56/825475656.db2.gz	MOFJLJDIWCLSAH-CPUCHLNUSA-N	1	0	360.433	1.871	20	30		FDEDRO
CN1CC[NH+](CC2(C)CCN(C([O-])=[NH+][C@H]3CCc4c[nH]nc4C3)CC2)CC1	ZINC000329853285	825504291	/nfs/dbraw/zinc/50/42/91/825504291.db2.gz	RYPHQXQCCRXTBT-KRWDZBQOSA-N	1	0	374.533	1.531	20	30		FDEDRO
CC(=O)N1CC[C@H](NC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C1	ZINC000329910983	825542998	/nfs/dbraw/zinc/54/29/98/825542998.db2.gz	AHHCTHAIGCUSQH-SFHVURJKSA-N	1	0	374.485	1.268	20	30		FDEDRO
CCC1(CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CCOCC1	ZINC000330135412	825665616	/nfs/dbraw/zinc/66/56/16/825665616.db2.gz	MTNXLLANXYQZDG-MRXNPFEDSA-N	1	0	366.506	1.346	20	30		FDEDRO
CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)cn1	ZINC000330182835	825710634	/nfs/dbraw/zinc/71/06/34/825710634.db2.gz	PHVWABIRBNVAHA-GUSZCTEKSA-N	1	0	362.478	1.859	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cncn4)nc3)C[C@@H]2C1	ZINC001088060166	825719471	/nfs/dbraw/zinc/71/94/71/825719471.db2.gz	OZURYUGCSUSIIO-SJORKVTESA-N	1	0	352.442	1.632	20	30		FDEDRO
CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)cn1	ZINC000330191671	825723278	/nfs/dbraw/zinc/72/32/78/825723278.db2.gz	NGMMUCZRJJEHDS-INMHGKMJSA-N	1	0	360.462	1.409	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CCN(C(=O)C(C)C)CC3)C[C@@H]2C1	ZINC001088061536	825744900	/nfs/dbraw/zinc/74/49/00/825744900.db2.gz	MDOYFJDABUZSIT-MOPGFXCFSA-N	1	0	359.514	1.685	20	30		FDEDRO
CCn1ccnc(N2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)CC2)c1=O	ZINC000330234155	825748832	/nfs/dbraw/zinc/74/88/32/825748832.db2.gz	SMKNZCODGDAMMH-INIZCTEOSA-N	1	0	359.474	1.815	20	30		FDEDRO
O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)CC1	ZINC000330236320	825749704	/nfs/dbraw/zinc/74/97/04/825749704.db2.gz	AFEOWCDAVBXVMF-ZWKOTPCHSA-N	1	0	356.470	1.697	20	30		FDEDRO
CN(C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1CCCC[C@H]1O	ZINC000330265154	825780031	/nfs/dbraw/zinc/78/00/31/825780031.db2.gz	YVLOTBYGTRFRBZ-IAGOWNOFSA-N	1	0	361.490	1.483	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CCOC3(CCOCC3)C2)CC1	ZINC000330287392	825795795	/nfs/dbraw/zinc/79/57/95/825795795.db2.gz	BDTSTFJMAXWUFR-INIZCTEOSA-N	1	0	369.506	1.454	20	30		FDEDRO
C#C[C@H](NC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C(C)C	ZINC000281091671	825872358	/nfs/dbraw/zinc/87/23/58/825872358.db2.gz	PBLRRFZLMDUTRC-MOPGFXCFSA-N	1	0	370.497	1.841	20	30		FDEDRO
CNC(=O)[C@@]1(C)CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1	ZINC000281157200	825903470	/nfs/dbraw/zinc/90/34/70/825903470.db2.gz	POHHNJHPFTZQIH-QRWLVFNGSA-N	1	0	372.469	1.788	20	30		FDEDRO
CCOC(=O)[C@@]1(COC)CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000281238837	825920659	/nfs/dbraw/zinc/92/06/59/825920659.db2.gz	CUMJVHMMKBZYCU-FQEVSTJZSA-N	1	0	373.453	1.466	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1=O	ZINC000281511843	825969434	/nfs/dbraw/zinc/96/94/34/825969434.db2.gz	YUVJADJTEQIMQO-HNNXBMFYSA-N	1	0	364.377	1.781	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@@H]1CC	ZINC000985015526	826127282	/nfs/dbraw/zinc/12/72/82/826127282.db2.gz	BGKPCHCLQSTQMT-IXDOHACOSA-N	1	0	358.486	1.735	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)NS(C)(=O)=O)C2	ZINC001112536489	826214870	/nfs/dbraw/zinc/21/48/70/826214870.db2.gz	KRLUSEIXWYEZRN-VYDXJSESSA-N	1	0	357.520	1.109	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)NCC2CCC(C#N)CC2)CC1	ZINC000281814636	826248805	/nfs/dbraw/zinc/24/88/05/826248805.db2.gz	LHXIXLPCHMKRJK-UHFFFAOYSA-N	1	0	370.501	1.963	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)[C@H]2CC)cn1	ZINC000985087283	826309791	/nfs/dbraw/zinc/30/97/91/826309791.db2.gz	UGDUWJXNKNSXSC-IPMKNSEASA-N	1	0	368.481	1.657	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)[C@H]2CC)cn1	ZINC000985087284	826309809	/nfs/dbraw/zinc/30/98/09/826309809.db2.gz	UGDUWJXNKNSXSC-OTWHNJEPSA-N	1	0	368.481	1.657	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4conc4C)C[C@@H]3C2)C1=O	ZINC001088089921	826326214	/nfs/dbraw/zinc/32/62/14/826326214.db2.gz	OLEFJFPXXVQNJQ-HLLBOEOZSA-N	1	0	358.442	1.164	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4(C)CC(=C)C4)C[C@@H]3C2)C1=O	ZINC001088098339	826387285	/nfs/dbraw/zinc/38/72/85/826387285.db2.gz	FEBGYVVPGCBQIE-SQNIBIBYSA-N	1	0	357.498	1.910	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cnon4)C[C@@H]3C2)cc1	ZINC001088145851	826708002	/nfs/dbraw/zinc/70/80/02/826708002.db2.gz	ZIBHLUQAMNVMPK-CVEARBPZSA-N	1	0	367.409	1.566	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCn4cccc4)C[C@@H]3C2)C1=O	ZINC001088151165	826794202	/nfs/dbraw/zinc/79/42/02/826794202.db2.gz	QTPVTNAGJJSRJM-QYZOEREBSA-N	1	0	370.497	1.445	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C)nc4c3cnn4C)C[C@@H]2C1	ZINC001088153250	826852319	/nfs/dbraw/zinc/85/23/19/826852319.db2.gz	JIXMWJDBPKAORZ-CVEARBPZSA-N	1	0	351.454	1.694	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]nc3-c3cnn(C)c3)C[C@@H]2C1	ZINC001088166444	826949034	/nfs/dbraw/zinc/94/90/34/826949034.db2.gz	BCAKESRMFLJTRD-ZBFHGGJFSA-N	1	0	354.458	1.780	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]nc3-c3cnn(C)c3)C[C@@H]2C1	ZINC001088166912	826954552	/nfs/dbraw/zinc/95/45/52/826954552.db2.gz	XZAGJBYPZFTXNT-ZBFHGGJFSA-N	1	0	352.442	1.227	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC000985236118	826980767	/nfs/dbraw/zinc/98/07/67/826980767.db2.gz	NCJPKKZVPIAJQK-DOTOQJQBSA-N	1	0	371.485	1.870	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000985234412	826993333	/nfs/dbraw/zinc/99/33/33/826993333.db2.gz	CYWACFSRMUJWGZ-DOTOQJQBSA-N	1	0	371.485	1.870	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CNC(=O)CC2CCCC2)C[C@H]1C(F)(F)F	ZINC001112179178	827174339	/nfs/dbraw/zinc/17/43/39/827174339.db2.gz	ZPEHGVNOJQYJMJ-ZIAGYGMSSA-N	1	0	359.392	1.295	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4ocnc4C)CC[C@@H]3C2)cn1	ZINC001088175200	827224936	/nfs/dbraw/zinc/22/49/36/827224936.db2.gz	KPXLAQVJRGBMAN-SJORKVTESA-N	1	0	350.422	1.953	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cc4ccc[nH]4)C[C@@H]3C2)C1=O	ZINC001088208045	827499682	/nfs/dbraw/zinc/49/96/82/827499682.db2.gz	ITVJPMCBZDBSIE-RYRKJORJSA-N	1	0	356.470	1.124	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCCO[C@H](CNC(=O)OC(C)(C)C)C1	ZINC000909578577	827528583	/nfs/dbraw/zinc/52/85/83/827528583.db2.gz	ZGPFZHJCDMPJSI-OAHLLOKOSA-N	1	0	355.479	1.637	20	30		FDEDRO
CCC1([NH+]2CCOCC2)CCN(C(=O)NCc2nc(C#N)cs2)CC1	ZINC000897267583	827557164	/nfs/dbraw/zinc/55/71/64/827557164.db2.gz	MPJXHVDKNZAAGI-UHFFFAOYSA-N	1	0	363.487	1.801	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3ncccn3n2)C[C@H]1C(F)(F)F	ZINC001112182005	827593159	/nfs/dbraw/zinc/59/31/59/827593159.db2.gz	ISBSIPRRLYFDPF-DGCLKSJQSA-N	1	0	351.332	1.345	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1	ZINC000523036701	827604469	/nfs/dbraw/zinc/60/44/69/827604469.db2.gz	NAMBEYLOWCTPTK-INIZCTEOSA-N	1	0	373.457	1.389	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)CC2)C1	ZINC001088238609	827650949	/nfs/dbraw/zinc/65/09/49/827650949.db2.gz	YLJZMQNTQWKQFH-KSZLIROESA-N	1	0	363.502	1.226	20	30		FDEDRO
Cc1cc(C(=O)NCC[NH+]2CCC(O)CC2)nn1-c1cccc(C#N)c1	ZINC000456576279	827754799	/nfs/dbraw/zinc/75/47/99/827754799.db2.gz	ANUISEIKHAODCD-UHFFFAOYSA-N	1	0	353.426	1.239	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn(CC3CC3)nn2)C[C@H]1C(F)(F)F	ZINC001112184907	827859936	/nfs/dbraw/zinc/85/99/36/827859936.db2.gz	KIGBQODFOXNOIT-CHWSQXEVSA-N	1	0	357.380	1.857	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC([N@H+](C)Cc2cccc(C#N)c2)CC1	ZINC000985478418	827973888	/nfs/dbraw/zinc/97/38/88/827973888.db2.gz	IWGMBXFOGMWGPZ-KXBFYZLASA-N	1	0	357.454	1.785	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)[C@H]2CC)cn1	ZINC000985500023	828053446	/nfs/dbraw/zinc/05/34/46/828053446.db2.gz	TWVSVNGIGSJOEI-ZYSHUDEJSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#CCC[NH+]1CCC(NS(=O)(=O)CCc2ccc(OC)cc2)CC1	ZINC000840952310	828110987	/nfs/dbraw/zinc/11/09/87/828110987.db2.gz	YTPGHWQRZOAYLI-UHFFFAOYSA-N	1	0	350.484	1.645	20	30		FDEDRO
C[N@@H+]1CC[C@@](O)(CNC(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1	ZINC000527352692	829041228	/nfs/dbraw/zinc/04/12/28/829041228.db2.gz	BKWVJOISEHIMGE-LADRWXRNSA-N	1	0	373.457	1.009	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2OCC[C@@H]2c2ccccc2)C1=O	ZINC001168095727	829126285	/nfs/dbraw/zinc/12/62/85/829126285.db2.gz	XXEGETZAPYAPID-GUDVDZBRSA-N	1	0	371.481	1.442	20	30		FDEDRO
N#Cc1ccc(CC(=O)NCc2ccccc2CN2CCOCC2)cn1	ZINC000527700074	829148834	/nfs/dbraw/zinc/14/88/34/829148834.db2.gz	GGAPKISIVGXYCW-UHFFFAOYSA-N	1	0	350.422	1.644	20	30		FDEDRO
CC(=O)N(C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001111602514	829180535	/nfs/dbraw/zinc/18/05/35/829180535.db2.gz	FQRXKPZWXCWANM-ICSRJNTNSA-N	1	0	354.454	1.507	20	30		FDEDRO
Cn1c(C#N)ccc1C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1	ZINC000448908915	829304435	/nfs/dbraw/zinc/30/44/35/829304435.db2.gz	KLPTUNANDRTZAF-UHFFFAOYSA-N	1	0	365.481	1.787	20	30		FDEDRO
CCCNC(=O)[C@H]1CCC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000528364225	829359951	/nfs/dbraw/zinc/35/99/51/829359951.db2.gz	IHWDJJPJBAMAAC-INIZCTEOSA-N	1	0	367.449	1.524	20	30		FDEDRO
COCCOC1CC[NH+](CC#CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000528385410	829375745	/nfs/dbraw/zinc/37/57/45/829375745.db2.gz	ZADNVITVQLQNDT-UHFFFAOYSA-N	1	0	356.422	1.413	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2cc(C)n(C)n2)C1	ZINC001029863200	829515561	/nfs/dbraw/zinc/51/55/61/829515561.db2.gz	BTGPXXLFCUIEGR-NEWSRXKRSA-N	1	0	360.502	1.990	20	30		FDEDRO
Cc1cc(I)cc(NC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c1	ZINC000841237601	829536949	/nfs/dbraw/zinc/53/69/49/829536949.db2.gz	NQCLAYNHTDNADP-JOYOIKCWSA-N	1	0	370.194	1.833	20	30		FDEDRO
CC(C)[NH+]=C(NCCc1ccco1)N1CCN(c2nccn(C)c2=O)CC1	ZINC000262635512	829574203	/nfs/dbraw/zinc/57/42/03/829574203.db2.gz	GBOXHRBUHVTEBU-UHFFFAOYSA-N	1	0	372.473	1.092	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C[C@@H]1[NH+](C)C	ZINC000449986080	829743841	/nfs/dbraw/zinc/74/38/41/829743841.db2.gz	NWJSEYDPUNMEDX-IFIJOSMWSA-N	1	0	374.872	1.973	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1	ZINC000282027638	829939729	/nfs/dbraw/zinc/93/97/29/829939729.db2.gz	FIPQTNNJZKKFFJ-OALUTQOASA-N	1	0	359.470	1.342	20	30		FDEDRO
C[N@H+](CC(=O)N1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C1)C1CCC1	ZINC000985895242	829996642	/nfs/dbraw/zinc/99/66/42/829996642.db2.gz	RFDWOMNXZCJWGI-CVEARBPZSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=CCc1cc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc(OC)c1OC	ZINC000262143079	837427208	/nfs/dbraw/zinc/42/72/08/837427208.db2.gz	YBEGMIAPGQVZEB-KRWDZBQOSA-N	1	0	359.470	1.552	20	30		FDEDRO
C#CCN1CCC[C@@H]1COC(=O)CS[C@@H](C)C(=O)Nc1cc(C)on1	ZINC000729808978	837432159	/nfs/dbraw/zinc/43/21/59/837432159.db2.gz	HZJFTKBUVNUMQY-UONOGXRCSA-N	1	0	365.455	1.684	20	30		FDEDRO
CC(C)(C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O)[NH+]1CCCCC1	ZINC001083460041	837438166	/nfs/dbraw/zinc/43/81/66/837438166.db2.gz	MVPLIBIODSQDJG-UXHICEINSA-N	1	0	369.509	1.464	20	30		FDEDRO
CC(C)O[C@@H]1C[C@H]([NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1(C)C	ZINC000451492772	830379436	/nfs/dbraw/zinc/37/94/36/830379436.db2.gz	GEOMKYYUCILSGL-OKZBNKHCSA-N	1	0	364.534	1.860	20	30		FDEDRO
CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)c1ccc(C#N)n1C	ZINC000451684586	830427484	/nfs/dbraw/zinc/42/74/84/830427484.db2.gz	VUILKWRPUHFJMY-UHFFFAOYSA-N	1	0	365.481	1.787	20	30		FDEDRO
CC1CC[NH+](CC(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)CC1	ZINC000986081289	830578484	/nfs/dbraw/zinc/57/84/84/830578484.db2.gz	ZIBIAGQXFXZQQU-MOPGFXCFSA-N	1	0	357.498	1.439	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1)[NH+]1CCCC1	ZINC000986085382	830623118	/nfs/dbraw/zinc/62/31/18/830623118.db2.gz	RIPOIRNFDLOGHO-DYXWJJEUSA-N	1	0	371.525	1.827	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCC[N@@H+](CCCO)C3)cc2C1=O	ZINC000452375331	830637648	/nfs/dbraw/zinc/63/76/48/830637648.db2.gz	MQCGQHZDXFXOFG-HNNXBMFYSA-N	1	0	371.437	1.045	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)ccc1C#N	ZINC000453637149	830975568	/nfs/dbraw/zinc/97/55/68/830975568.db2.gz	MFRMYCWGNYDFFC-UHFFFAOYSA-N	1	0	369.469	1.925	20	30		FDEDRO
CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(C)n1	ZINC000453640928	830977735	/nfs/dbraw/zinc/97/77/35/830977735.db2.gz	HKOOYICUMTZBOU-MRXNPFEDSA-N	1	0	357.458	1.971	20	30		FDEDRO
CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(C)n1	ZINC000453640927	830978446	/nfs/dbraw/zinc/97/84/46/830978446.db2.gz	HKOOYICUMTZBOU-INIZCTEOSA-N	1	0	357.458	1.971	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)ccc1C#N	ZINC000453652463	831002504	/nfs/dbraw/zinc/00/25/04/831002504.db2.gz	DUQISCDPNUBLNZ-INIZCTEOSA-N	1	0	355.442	1.581	20	30		FDEDRO
COC(=O)C1CC[NH+](CCCNC(=O)C2(c3cccc(C#N)c3)CC2)CC1	ZINC000487536791	831195297	/nfs/dbraw/zinc/19/52/97/831195297.db2.gz	OKVMYNKMOPCFGJ-UHFFFAOYSA-N	1	0	369.465	1.981	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C(=O)Nc2ccc(C)cc2)C[C@H]1C(F)(F)F	ZINC001112204638	831229769	/nfs/dbraw/zinc/22/97/69/831229769.db2.gz	CHQYKGYHSHTFBO-HUUCEWRRSA-N	1	0	367.371	1.936	20	30		FDEDRO
COc1ccc(CN2CC[C@H](NC(=O)c3ccnn3C)[C@H]2C)cc1C#N	ZINC001088489817	831335124	/nfs/dbraw/zinc/33/51/24/831335124.db2.gz	SCXJUBHTERWSEN-CJNGLKHVSA-N	1	0	353.426	1.693	20	30		FDEDRO
C[NH+]1CCN(c2ccnc(-c3noc([C@]4(C#N)CCCOC4)n3)c2)CC1	ZINC000866939392	831412465	/nfs/dbraw/zinc/41/24/65/831412465.db2.gz	HRAWZBXBPKNSMN-SFHVURJKSA-N	1	0	354.414	1.455	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1	ZINC000986440453	831712112	/nfs/dbraw/zinc/71/21/12/831712112.db2.gz	AAOGPOTWPDCLOQ-MSOLQXFVSA-N	1	0	362.433	1.668	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)[C@H]2C)c1	ZINC001088494485	831795085	/nfs/dbraw/zinc/79/50/85/831795085.db2.gz	BQAMJGHXQLOHDM-MNEFBYGVSA-N	1	0	368.481	1.280	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)Cc2cc[nH]n2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088500974	831832303	/nfs/dbraw/zinc/83/23/03/831832303.db2.gz	DXYONRZQWSUABF-KDOFPFPSSA-N	1	0	353.426	1.634	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@H](C)C[C@@H](C)[C@H]3C)CC2)o1	ZINC000475729011	831934923	/nfs/dbraw/zinc/93/49/23/831934923.db2.gz	DMPMHNHKCDKSDQ-RBSFLKMASA-N	1	0	359.474	1.870	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(CN(C)Cc2cn(C)nn2)CC1	ZINC001029965839	831941245	/nfs/dbraw/zinc/94/12/45/831941245.db2.gz	BVCIHEVFDQIVCC-MSOLQXFVSA-N	1	0	361.490	1.467	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[N@@H+](C)[C@@H]2CCN(C)C2=O)CC1	ZINC001029966316	831945148	/nfs/dbraw/zinc/94/51/48/831945148.db2.gz	PQYRHIGJSTZWOI-KURKYZTESA-N	1	0	363.502	1.369	20	30		FDEDRO
Cc1c(C(=O)N[C@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)[C@@H]2C)nnn1C	ZINC001088503562	831990811	/nfs/dbraw/zinc/99/08/11/831990811.db2.gz	NLVJFXKDMWBSBX-DYVFJYSZSA-N	1	0	368.441	1.419	20	30		FDEDRO
Cc1nn(C)c(N2CCOCC2)c1C[NH2+]CCNc1ccc(C#N)cn1	ZINC000897398333	832091298	/nfs/dbraw/zinc/09/12/98/832091298.db2.gz	AWWQPYWHOUBRAR-UHFFFAOYSA-N	1	0	355.446	1.034	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1	ZINC000986619413	832094370	/nfs/dbraw/zinc/09/43/70/832094370.db2.gz	JQQIONJSUYQCRL-FUHIMQAGSA-N	1	0	359.514	1.991	20	30		FDEDRO
C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC000986890774	832291462	/nfs/dbraw/zinc/29/14/62/832291462.db2.gz	QXMUMTYVZIYMQA-HBUWYVDXSA-N	1	0	371.485	1.583	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@@H](O)c1ccc(C#N)cc1	ZINC000780947756	832377182	/nfs/dbraw/zinc/37/71/82/832377182.db2.gz	NYXOYLTWYPWJMY-KRWDZBQOSA-N	1	0	352.394	1.391	20	30		FDEDRO
CN(C)C(=O)[C@H]1CC[C@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)O1	ZINC000263110699	832444771	/nfs/dbraw/zinc/44/47/71/832444771.db2.gz	ARMQPGPMPDNUQY-UKRRQHHQSA-N	1	0	362.430	1.210	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C[C@@H]1COc2ccccc2O1	ZINC001088529544	832460717	/nfs/dbraw/zinc/46/07/17/832460717.db2.gz	BABCZDSLZQBKOH-BMFZPTHFSA-N	1	0	366.421	1.919	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)ccn2)C[C@H]1C(F)(F)F	ZINC001112219982	832485152	/nfs/dbraw/zinc/48/51/52/832485152.db2.gz	HTRABEYMGCVVBP-TZMCWYRMSA-N	1	0	370.375	1.739	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3ccc(C)o3)[C@H]2C)CC1	ZINC000987288205	832741300	/nfs/dbraw/zinc/74/13/00/832741300.db2.gz	OYBZYKKSHHEHIB-WBVHZDCISA-N	1	0	357.454	1.652	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3cccn3C)[C@H]2C)CC1	ZINC000987360886	832879529	/nfs/dbraw/zinc/87/95/29/832879529.db2.gz	HNXVAJRISKCYFO-WBVHZDCISA-N	1	0	356.470	1.090	20	30		FDEDRO
C[C@H](c1nc(-c2ccnc(OCC[NH+](C)C)c2)no1)n1cnc(C#N)n1	ZINC000350169264	833458908	/nfs/dbraw/zinc/45/89/08/833458908.db2.gz	OCLWSUHOHLQASQ-LLVKDONJSA-N	1	0	354.374	1.144	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)c1ccc2c[nH+]cn2c1	ZINC000987624180	833501913	/nfs/dbraw/zinc/50/19/13/833501913.db2.gz	CVQSBEAQERDPSH-WBMJQRKESA-N	1	0	362.393	1.567	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)[C@@H](C1CC1)[NH+]1CCCC1	ZINC000987625127	833502420	/nfs/dbraw/zinc/50/24/20/833502420.db2.gz	KWGQIWVKGZPXCC-RPVQJOFSSA-N	1	0	369.469	1.480	20	30		FDEDRO
C=CCOCCCNC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000666517477	833865169	/nfs/dbraw/zinc/86/51/69/833865169.db2.gz	AUHPIRBEPUWTQD-HXUWFJFHSA-N	1	0	361.486	1.858	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C)c1	ZINC000988192462	834214290	/nfs/dbraw/zinc/21/42/90/834214290.db2.gz	AIZRSAJLCBHBEF-CCKFTAQKSA-N	1	0	366.465	1.124	20	30		FDEDRO
COc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C)cc1C#N	ZINC001088577547	835244361	/nfs/dbraw/zinc/24/43/61/835244361.db2.gz	AKRWSUBYQBMHJU-RGCFKVTRSA-N	1	0	370.497	1.986	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCCO1	ZINC000245610226	835501378	/nfs/dbraw/zinc/50/13/78/835501378.db2.gz	AVKWZQRIXFVERT-VQIMIIECSA-N	1	0	374.460	1.645	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(c3ccc(OC)cn3)CC2)CC1	ZINC000454541970	835548633	/nfs/dbraw/zinc/54/86/33/835548633.db2.gz	KWNUAPBQLKWHBE-UHFFFAOYSA-N	1	0	359.474	1.572	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3ccccc3O)[C@@H]2C)CC1	ZINC000988505767	835645719	/nfs/dbraw/zinc/64/57/19/835645719.db2.gz	CYFQUXAFBYKIPR-QAPCUYQASA-N	1	0	369.465	1.457	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H](C)C3CCC3)[C@@H]2C)CC1	ZINC000988505988	835657182	/nfs/dbraw/zinc/65/71/82/835657182.db2.gz	HDPRSCITHKDEHL-FCEWJHQRSA-N	1	0	359.514	1.873	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCC3(F)F)[C@@H]2C)CC1	ZINC000988506749	835659935	/nfs/dbraw/zinc/65/99/35/835659935.db2.gz	OMJGNNQWBROLDP-KBMXLJTQSA-N	1	0	367.440	1.483	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)CC1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000988539320	835847675	/nfs/dbraw/zinc/84/76/75/835847675.db2.gz	PXBSSCUIMXSBGB-MSOLQXFVSA-N	1	0	363.502	1.370	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCNC(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000455130955	835924038	/nfs/dbraw/zinc/92/40/38/835924038.db2.gz	AGIKSLGXSDFQBD-UHFFFAOYSA-N	1	0	370.461	1.144	20	30		FDEDRO
N#CCCCOc1cccnc1NC(=O)NC[C@H]1CCC[N@H+]1CCCO	ZINC000455171437	835926863	/nfs/dbraw/zinc/92/68/63/835926863.db2.gz	VQCZCOLCERXBCZ-OAHLLOKOSA-N	1	0	361.446	1.732	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](CCCc2ccccc2OC)C[C@H]1OC	ZINC001212032379	836346157	/nfs/dbraw/zinc/34/61/57/836346157.db2.gz	YAUZWTZCPBGFSG-IEBWSBKVSA-N	1	0	362.470	1.646	20	30		FDEDRO
CO[C@@H]1CN(CC(=O)N(C(C)C)C2CCCC2)C[C@H]1NC(=O)[C@@H](C)C#N	ZINC001212041741	836357375	/nfs/dbraw/zinc/35/73/75/836357375.db2.gz	ZLZQZHOWFWYIAN-USXIJHARSA-N	1	0	364.490	1.141	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CN(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000988652272	836550174	/nfs/dbraw/zinc/55/01/74/836550174.db2.gz	YWVSYOPKHRGLPZ-KURKYZTESA-N	1	0	363.502	1.369	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cccn2C(C)C)[C@@H]1C	ZINC000988733489	836906188	/nfs/dbraw/zinc/90/61/88/836906188.db2.gz	FCHRZVOGKIWSCK-SQNIBIBYSA-N	1	0	370.497	1.886	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(C(=O)NC)CCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105669328	844214116	/nfs/dbraw/zinc/21/41/16/844214116.db2.gz	QVWANASTGSSYEQ-JEWRLFTDSA-N	1	0	363.502	1.055	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccnc3ccnn32)CCN1Cc1ccccc1C#N	ZINC001088616538	836915486	/nfs/dbraw/zinc/91/54/86/836915486.db2.gz	AYQVNLHFMXDXKX-PBHICJAKSA-N	1	0	360.421	1.994	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)[C@@H]1C	ZINC000988738361	836943388	/nfs/dbraw/zinc/94/33/88/836943388.db2.gz	NJUYDYRBHVICBD-HOJAQTOUSA-N	1	0	367.493	1.822	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(CC)on3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105669685	844280068	/nfs/dbraw/zinc/28/00/68/844280068.db2.gz	UOWFLJKJNALIPB-MLYOOKFZSA-N	1	0	359.470	1.840	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C[C@H]2CCC(=O)N2C)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088790530	844289756	/nfs/dbraw/zinc/28/97/56/844289756.db2.gz	OZPQYLHNVUPCCF-OLMNPRSZSA-N	1	0	354.454	1.648	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1	ZINC000271935193	838421273	/nfs/dbraw/zinc/42/12/73/838421273.db2.gz	NRWAWGZPAUKBEK-CABCVRRESA-N	1	0	355.438	1.876	20	30		FDEDRO
CN(C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CSCC#N)C2)C1CC1	ZINC001112264910	844335568	/nfs/dbraw/zinc/33/55/68/844335568.db2.gz	XIFLYSBSRIIAGZ-KSSFIOAISA-N	1	0	364.515	1.082	20	30		FDEDRO
C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1OCCO[C@H]1C)CCO2	ZINC001105473082	838678489	/nfs/dbraw/zinc/67/84/89/838678489.db2.gz	NSQUGANWQNNGBQ-WPZCVXBKSA-N	1	0	352.475	1.496	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC000989232300	838821902	/nfs/dbraw/zinc/82/19/02/838821902.db2.gz	MFXKHXJAKHIXGI-CJNGLKHVSA-N	1	0	357.458	1.480	20	30		FDEDRO
COc1cc(C[N@H+]2C[C@H](CO)[C@H](O)C2)ccc1OCc1cccc(C#N)c1	ZINC000459689098	838914094	/nfs/dbraw/zinc/91/40/94/838914094.db2.gz	IDYSXTKEECIYHU-RTBURBONSA-N	1	0	368.433	1.931	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1	ZINC000459951733	839161970	/nfs/dbraw/zinc/16/19/70/839161970.db2.gz	UWDPOJKFAQRMDN-LJQANCHMSA-N	1	0	368.481	1.707	20	30		FDEDRO
C=CCOCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CC[C@@H](C)O1)CCO2	ZINC001105481912	839771686	/nfs/dbraw/zinc/77/16/86/839771686.db2.gz	LFNAZNINEODJFH-BOHSKOPMSA-N	1	0	366.502	1.886	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)c1C#N	ZINC000760306752	839778723	/nfs/dbraw/zinc/77/87/23/839778723.db2.gz	LKZPPMIRARGHOB-SNVBAGLBSA-N	1	0	350.423	1.285	20	30		FDEDRO
Cc1c(Br)c(C)n(NC(=O)C[C@H]2CC[N@@H+](C)C2)c(=O)c1C#N	ZINC000897598438	839899852	/nfs/dbraw/zinc/89/98/52/839899852.db2.gz	WBNMSSSSEZLZFB-LLVKDONJSA-N	1	0	367.247	1.511	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc[n+]([O-])cc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105590479	840126603	/nfs/dbraw/zinc/12/66/03/840126603.db2.gz	KQBXDPALYLTSPT-MLYOOKFZSA-N	1	0	359.470	1.476	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CSC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105590699	840127569	/nfs/dbraw/zinc/12/75/69/840127569.db2.gz	MLZQQMUROKHFHM-AHCXZYCDSA-N	1	0	356.532	1.518	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCc3cc(O)c(OC)cc3C2)CC1	ZINC000897675213	840218441	/nfs/dbraw/zinc/21/84/41/840218441.db2.gz	UZAFIOOBXBYGKS-UHFFFAOYSA-N	1	0	373.453	1.052	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CCN1C1CC1	ZINC000842015133	840656581	/nfs/dbraw/zinc/65/65/81/840656581.db2.gz	ZAIZRZGRYAOSIN-INIMBPLVSA-N	1	0	357.502	1.522	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C)nc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105598017	840766169	/nfs/dbraw/zinc/76/61/69/840766169.db2.gz	KCFPNQLDCGCJBS-BNDYYXHWSA-N	1	0	355.482	1.993	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)c1ccncc1	ZINC000842038838	840854423	/nfs/dbraw/zinc/85/44/23/840854423.db2.gz	IUIQJEHCPIBSCJ-GOSISDBHSA-N	1	0	352.438	1.803	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)CSCC#N)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCF)C2	ZINC001105600228	840980901	/nfs/dbraw/zinc/98/09/01/840980901.db2.gz	DJMPGRLXVXGGJG-SRABZTEZSA-N	1	0	357.495	1.569	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccon3)[C@H]2C(C)C)C[C@H]1O	ZINC001105601439	841033348	/nfs/dbraw/zinc/03/33/48/841033348.db2.gz	YNHPTPMRJYRHJL-VXIBKDFQSA-N	1	0	363.458	1.457	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]3CN(Cc4ccc(C#N)s4)C[C@H]32)O1	ZINC001075943550	841034071	/nfs/dbraw/zinc/03/40/71/841034071.db2.gz	WIFYRNBYLBOJCJ-LTCOOKNTSA-N	1	0	374.510	1.372	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CNC(=O)OC)[C@H]2C(C)C)C[C@H]1O	ZINC001105601257	841044656	/nfs/dbraw/zinc/04/46/56/841044656.db2.gz	VHTHVRUYHBXANA-RRIFGTCXSA-N	1	0	367.490	1.275	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2occc2C[NH+](C)C)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC000989538034	841152568	/nfs/dbraw/zinc/15/25/68/841152568.db2.gz	BTIJPHGXEPSCPA-DOMZBBRYSA-N	1	0	369.425	1.574	20	30		FDEDRO
C=CCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)N3CCC3)C2)[C@@H]1C(C)C	ZINC001105604103	841174368	/nfs/dbraw/zinc/17/43/68/841174368.db2.gz	RMRLIGLEANTXSU-YAJHFMINSA-N	1	0	363.502	1.151	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COC3CCCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105607893	841237483	/nfs/dbraw/zinc/23/74/83/841237483.db2.gz	ZNEOXNSOMUUHOD-UKAVVXHISA-N	1	0	362.514	1.935	20	30		FDEDRO
CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001112246494	841557760	/nfs/dbraw/zinc/55/77/60/841557760.db2.gz	DDRLVLRCFYMMOL-ZRCAFCQKSA-N	1	0	368.481	1.801	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3n[nH]c(C)c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105610191	841594789	/nfs/dbraw/zinc/59/47/89/841594789.db2.gz	IQMCMZQABQSJFY-HBXLWWENSA-N	1	0	358.486	1.630	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3CCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105610812	841728481	/nfs/dbraw/zinc/72/84/81/841728481.db2.gz	NVLZJBHAFMFXCT-UKAVVXHISA-N	1	0	362.514	1.793	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C)nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105611033	841750566	/nfs/dbraw/zinc/75/05/66/841750566.db2.gz	OMEVDBJERISJBL-FTEYMNFISA-N	1	0	360.502	1.884	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)[C@H]2C)cn1	ZINC000989996833	841764026	/nfs/dbraw/zinc/76/40/26/841764026.db2.gz	ITNWMJPFVSSCBH-DAYGRLMNSA-N	1	0	354.454	1.266	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnccc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105611564	841896697	/nfs/dbraw/zinc/89/66/97/841896697.db2.gz	SPZPJKXJYNQNGS-XCJLJZCSSA-N	1	0	355.482	1.993	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCCCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105612356	842023009	/nfs/dbraw/zinc/02/30/09/842023009.db2.gz	ZRKHCSOJRWJINP-HNBVOPMISA-N	1	0	350.503	1.793	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC#CC)C2)[C@H]1C(C)C	ZINC001105615220	842230573	/nfs/dbraw/zinc/23/05/73/842230573.db2.gz	QHVNJGXIINVXCJ-VURPSTOHSA-N	1	0	362.514	1.959	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCC(=O)NC)[C@H]2C(C)C)C[C@H]1O	ZINC001105619027	842234893	/nfs/dbraw/zinc/23/48/93/842234893.db2.gz	DTRHESRPOVBWIZ-YAJHFMINSA-N	1	0	365.518	1.445	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnnc(C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105619393	842237494	/nfs/dbraw/zinc/23/74/94/842237494.db2.gz	KGOUQWJFUHRVNY-FTEYMNFISA-N	1	0	358.486	1.941	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105619639	842238869	/nfs/dbraw/zinc/23/88/69/842238869.db2.gz	OQKBOIKYVUGIEC-PHXBYCTMSA-N	1	0	360.502	1.966	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnnc(C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619987	842241067	/nfs/dbraw/zinc/24/10/67/842241067.db2.gz	UYIWKMTYQFIMKM-SOAMZJECSA-N	1	0	356.470	1.388	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnnc(C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105619985	842241269	/nfs/dbraw/zinc/24/12/69/842241269.db2.gz	UYIWKMTYQFIMKM-FTEYMNFISA-N	1	0	356.470	1.388	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C)nn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105623669	842252271	/nfs/dbraw/zinc/25/22/71/842252271.db2.gz	SCLQYMOPZHJWMN-MYZZLAAOSA-N	1	0	361.490	1.361	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(=O)n(C)o3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105626809	842257900	/nfs/dbraw/zinc/25/79/00/842257900.db2.gz	HWTKSDVLIZUPME-BCXHYRKLSA-N	1	0	363.458	1.134	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C)nn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105626918	842258461	/nfs/dbraw/zinc/25/84/61/842258461.db2.gz	JIXUPSSEXIOSHJ-MLYOOKFZSA-N	1	0	356.470	1.388	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cc(C)n[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105613990	842265808	/nfs/dbraw/zinc/26/58/08/842265808.db2.gz	DWAXMJPFWGJNJL-HNBVOPMISA-N	1	0	358.486	1.250	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(CCOC)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105636655	842268271	/nfs/dbraw/zinc/26/82/71/842268271.db2.gz	AZMQBROPLDGHFZ-VIPLHTEESA-N	1	0	350.503	1.955	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(CCOC)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105637650	842272832	/nfs/dbraw/zinc/27/28/32/842272832.db2.gz	TVWLXRBYYHNRCQ-DCXXXQMHSA-N	1	0	362.514	1.793	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@@H]1C(C)C	ZINC001105632663	842280817	/nfs/dbraw/zinc/28/08/17/842280817.db2.gz	MVCZRXGACUJYIJ-OHRYMORCSA-N	1	0	365.518	1.301	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)N(C)C)C2)[C@H]1C(C)C	ZINC001105633066	842281575	/nfs/dbraw/zinc/28/15/75/842281575.db2.gz	PXNZXZXOSOQIET-XNFNUYLZSA-N	1	0	365.518	1.397	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCC3CC3)C2)[C@H]1C(C)C	ZINC001105633592	842282173	/nfs/dbraw/zinc/28/21/73/842282173.db2.gz	VQTHVMYORMNFNB-VURPSTOHSA-N	1	0	362.514	1.793	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccncc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105634108	842282955	/nfs/dbraw/zinc/28/29/55/842282955.db2.gz	ZKWKQVYNBDWLBT-CZAYHTPWSA-N	1	0	369.509	1.922	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cncc(C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105643426	842335441	/nfs/dbraw/zinc/33/54/41/842335441.db2.gz	YFORQWLRTWCOQD-WKDRNLAYSA-N	1	0	369.509	1.922	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)cnn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105645760	842396057	/nfs/dbraw/zinc/39/60/57/842396057.db2.gz	CQHPHFCAXQYKAR-QQTQMKHKSA-N	1	0	358.486	1.332	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCC(F)F)[C@H]2C(C)C)C[C@H]1O	ZINC001105646398	842406973	/nfs/dbraw/zinc/40/69/73/842406973.db2.gz	JIHQNUAMHCEXNV-KNCCTNLNSA-N	1	0	360.445	1.810	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCF)[C@@H]2C(C)C)C[C@H]1O	ZINC001105651876	842444491	/nfs/dbraw/zinc/44/44/91/842444491.db2.gz	JKJKUCZEZKMIMW-RWQQGDIJSA-N	1	0	354.466	1.352	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3n[nH]cc3F)[C@@H]2C(C)C)C[C@H]1O	ZINC001105654799	842476185	/nfs/dbraw/zinc/47/61/85/842476185.db2.gz	BQXLUIMSFSFUIF-GZOSKZMVSA-N	1	0	350.438	1.705	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH]c(=O)cc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105656595	842487250	/nfs/dbraw/zinc/48/72/50/842487250.db2.gz	RHDKFBFRPLTQPB-ZJSJBZJDSA-N	1	0	371.481	1.699	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ocnc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105656606	842487387	/nfs/dbraw/zinc/48/73/87/842487387.db2.gz	ROZJHJSWNXEAJI-QQTQMKHKSA-N	1	0	359.470	1.840	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CC#CC)C3)[C@H]2C(C)C)c1	ZINC001105657157	842491404	/nfs/dbraw/zinc/49/14/04/842491404.db2.gz	XGIFGYKDDWJHLY-VMBXEPDQSA-N	1	0	365.477	1.666	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CCO)C3)[C@@H]2C(C)C)CC1	ZINC001105657308	842493973	/nfs/dbraw/zinc/49/39/73/842493973.db2.gz	YCQSFSKITWODIE-PDOICOKGSA-N	1	0	350.503	1.691	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105659132	842501832	/nfs/dbraw/zinc/50/18/32/842501832.db2.gz	MTZGCMUQKGDGAV-WERVVEIQSA-N	1	0	355.482	1.993	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2COCC[C@@H]2c2ccccc2)[C@@H](O)C1	ZINC001083470316	842582559	/nfs/dbraw/zinc/58/25/59/842582559.db2.gz	LARIIRUKQZVUPA-WTGUMLROSA-N	1	0	358.482	1.934	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(OC)o3)[C@H]2C(C)C)C[C@H]1O	ZINC001105660898	842637291	/nfs/dbraw/zinc/63/72/91/842637291.db2.gz	ACBSDZWNAKZKNL-DZJHOTPTSA-N	1	0	360.454	1.891	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COc3cccnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105661142	842667720	/nfs/dbraw/zinc/66/77/20/842667720.db2.gz	FHGXYDVVLDWQPU-RMVXJAJNSA-N	1	0	371.481	1.450	20	30		FDEDRO
C=CC[C@H]1N(C(=O)C(=O)NC2CC[NH+](CCOC)CC2)CCCC1(C)C	ZINC000477613302	842674052	/nfs/dbraw/zinc/67/40/52/842674052.db2.gz	GTRXVMQSHHRXCA-QGZVFWFLSA-N	1	0	365.518	1.807	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(C)CCOCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105661637	842708867	/nfs/dbraw/zinc/70/88/67/842708867.db2.gz	KPSKYIWNPUTMBI-DCXXXQMHSA-N	1	0	362.514	1.793	20	30		FDEDRO
Cc1c(C(=O)N(CCC#N)CCC[NH+](C)C)cccc1N1CCNC1=O	ZINC000460849332	842866120	/nfs/dbraw/zinc/86/61/20/842866120.db2.gz	WEKZZCWGGNUECL-UHFFFAOYSA-N	1	0	357.458	1.832	20	30		FDEDRO
C=C(C)Cn1c(CCCC)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000460925916	842901650	/nfs/dbraw/zinc/90/16/50/842901650.db2.gz	JDNPSNMRHAGPJD-KRWDZBQOSA-N	1	0	374.533	1.940	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCCC(N)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105666414	843135517	/nfs/dbraw/zinc/13/55/17/843135517.db2.gz	FHQPQSJYSNADHP-YAJHFMINSA-N	1	0	365.518	1.574	20	30		FDEDRO
Cn1cc(C(=O)N2CC[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@H]32)ccc1=O	ZINC001075984576	843245119	/nfs/dbraw/zinc/24/51/19/843245119.db2.gz	JOWQSRBFLZHGQX-AZUAARDMSA-N	1	0	361.445	1.583	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C	ZINC000462095437	843317210	/nfs/dbraw/zinc/31/72/10/843317210.db2.gz	VGSCVSNURVPMCD-CQSZACIVSA-N	1	0	369.473	2.545	20	30		FDEDRO
C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cccc(C#Cc3cccs3)c2)C1	ZINC000667225399	843330917	/nfs/dbraw/zinc/33/09/17/843330917.db2.gz	GIVBGHWEMZUZHU-MRXNPFEDSA-N	1	0	353.447	1.907	20	30		FDEDRO
C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1	ZINC000667267205	843465775	/nfs/dbraw/zinc/46/57/75/843465775.db2.gz	BOUJPRLKMGGNDP-CQSZACIVSA-N	1	0	353.447	1.907	20	30		FDEDRO
CC1(C)CC[N@H+](CCNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1	ZINC000898598764	844913481	/nfs/dbraw/zinc/91/34/81/844913481.db2.gz	YKNBBLLFWPRTBB-UHFFFAOYSA-N	1	0	356.474	1.517	20	30		FDEDRO
Cn1cnc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1	ZINC000898633596	844968081	/nfs/dbraw/zinc/96/80/81/844968081.db2.gz	HMUSZLBMYGLQQK-UHFFFAOYSA-N	1	0	352.442	1.709	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCC(N)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105673524	845395406	/nfs/dbraw/zinc/39/54/06/845395406.db2.gz	MNMXEWXXQJGJAI-YAJHFMINSA-N	1	0	365.518	1.574	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000899125354	845828526	/nfs/dbraw/zinc/82/85/26/845828526.db2.gz	YQHDOBXBOQQFDU-IYWMVGAKSA-N	1	0	355.482	1.971	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@@H]2O)C1	ZINC001083522093	846083176	/nfs/dbraw/zinc/08/31/76/846083176.db2.gz	SXLKWMUVLRNDTL-AQNXPRMDSA-N	1	0	370.497	1.197	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](C[C@@H](OC)c2ccccc2)C[C@@H]1O	ZINC001083526478	846414395	/nfs/dbraw/zinc/41/43/95/846414395.db2.gz	UJMNGNBNXZOJMI-YZGWKJHDSA-N	1	0	369.465	1.837	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CC1	ZINC000899589448	846467503	/nfs/dbraw/zinc/46/75/03/846467503.db2.gz	VLAQDPNPPOJOKD-IAGOWNOFSA-N	1	0	363.502	1.249	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CCOC(=O)CNS(=O)(=O)c1ccc(C#N)cc1	ZINC000913238619	861709413	/nfs/dbraw/zinc/70/94/13/861709413.db2.gz	CXSMGTPVYFVRBU-OAHLLOKOSA-N	1	0	365.455	1.254	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000899945829	846921451	/nfs/dbraw/zinc/92/14/51/846921451.db2.gz	VXHIQZCZLLLDGP-LJQANCHMSA-N	1	0	370.497	1.702	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(CCC)cc2)C[C@@H]1O	ZINC001083535925	846924358	/nfs/dbraw/zinc/92/43/58/846924358.db2.gz	UPDWUJCNNRBZEG-HKBOAZHASA-N	1	0	369.509	1.398	20	30		FDEDRO
COc1cnc(C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)nc1	ZINC001076020683	847052069	/nfs/dbraw/zinc/05/20/69/847052069.db2.gz	RVCGHTFKEFDFOF-FUHWJXTLSA-N	1	0	363.421	1.703	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCCC4)O3)[C@@H]2C1	ZINC001076237458	847643990	/nfs/dbraw/zinc/64/39/90/847643990.db2.gz	ZPOAVDAWYPPTPL-MLHJIOFPSA-N	1	0	361.486	1.265	20	30		FDEDRO
C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccnc(N(C)C)c1	ZINC000482372964	847841294	/nfs/dbraw/zinc/84/12/94/847841294.db2.gz	WPNQQFCHVWLUOZ-LBPRGKRZSA-N	1	0	373.438	1.325	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CC[C@H]3C[N@H+](C[C@@H]4CCOC4)C[C@H]32)cc1	ZINC001076336242	847882595	/nfs/dbraw/zinc/88/25/95/847882595.db2.gz	PLRGRAKVEKFFJV-XKGZKEIXSA-N	1	0	354.450	1.881	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000668032622	847911572	/nfs/dbraw/zinc/91/15/72/847911572.db2.gz	GHZNLNZGZBWVKL-GOSISDBHSA-N	1	0	374.485	1.065	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)C[C@@H]4CCC(=O)N4)[C@@H]3C2)c1	ZINC001076353745	847935721	/nfs/dbraw/zinc/93/57/21/847935721.db2.gz	SDDWBLXQXVFIHF-OKZBNKHCSA-N	1	0	352.438	1.260	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CCc4cnn(CC)c4)C[C@H]32)nc1	ZINC001076476037	848240587	/nfs/dbraw/zinc/24/05/87/848240587.db2.gz	RXDLIJKVVXXTKG-AZUAARDMSA-N	1	0	363.465	1.668	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN([C@@H](C)c4nnc(CC)o4)C[C@H]32)cn1	ZINC001076476828	848241792	/nfs/dbraw/zinc/24/17/92/848241792.db2.gz	DMMOFCYNQVSKSE-JLJPHGGASA-N	1	0	365.437	1.916	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CCCN4CCCC4=O)C[C@H]32)nc1	ZINC001076477283	848244110	/nfs/dbraw/zinc/24/41/10/848244110.db2.gz	YCGLJGCCUAJXOZ-PKOBYXMFSA-N	1	0	366.465	1.222	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(Cc4nccnc4C)C[C@H]32)CC1	ZINC001076605502	848555844	/nfs/dbraw/zinc/55/58/44/848555844.db2.gz	DGCCXXNVRDPTAZ-AZUAARDMSA-N	1	0	367.497	1.163	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)CC[N@@H+](C)CC	ZINC001076706003	848811534	/nfs/dbraw/zinc/81/15/34/848811534.db2.gz	LWMPFVUREKKMIX-BQFCYCMXSA-N	1	0	353.507	1.711	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCc4ccccc43)C[C@H]2O)c1	ZINC001076855864	849213802	/nfs/dbraw/zinc/21/38/02/849213802.db2.gz	QOLIWSWGPHGHAK-PWIZWCRZSA-N	1	0	364.449	1.781	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCC3(F)F)C[C@H]2O)[nH]1	ZINC001076898280	849282374	/nfs/dbraw/zinc/28/23/74/849282374.db2.gz	BKCSOJLYIVTOBM-NILFDRSVSA-N	1	0	352.385	1.487	20	30		FDEDRO
CC(C)(C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1O)[NH+]1CCCCC1	ZINC001076999522	849499101	/nfs/dbraw/zinc/49/91/01/849499101.db2.gz	VLFJMAGBILROTH-RTBURBONSA-N	1	0	370.497	1.484	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1O	ZINC001077017623	849550034	/nfs/dbraw/zinc/55/00/34/849550034.db2.gz	JMSMRPDLTNIODU-WTGUMLROSA-N	1	0	358.482	1.762	20	30		FDEDRO
N#Cc1cccc(CN2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)c1	ZINC001077217696	850126503	/nfs/dbraw/zinc/12/65/03/850126503.db2.gz	BSHXCOLOPFDMJQ-RTBURBONSA-N	1	0	368.481	1.096	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1	ZINC000668388566	851150101	/nfs/dbraw/zinc/15/01/01/851150101.db2.gz	GTOMBZPVUAPTPM-SQNIBIBYSA-N	1	0	365.518	1.711	20	30		FDEDRO
C[C@]1(C#N)CN(C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)CCO1	ZINC000904518980	851271608	/nfs/dbraw/zinc/27/16/08/851271608.db2.gz	IQIBNJNBCYILBH-IBGZPJMESA-N	1	0	373.457	1.117	20	30		FDEDRO
N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)cc2)c1	ZINC000904616146	851313648	/nfs/dbraw/zinc/31/36/48/851313648.db2.gz	WQSWAXXOADGKHM-CJNGLKHVSA-N	1	0	371.828	1.783	20	30		FDEDRO
CCN(CC)c1ccc(/C=[NH+]/C[C@@]2(OC)CCS(=O)(=O)C2)c(O)c1	ZINC000905002990	851565700	/nfs/dbraw/zinc/56/57/00/851565700.db2.gz	NTGWKLICLWKPNK-SZLZGVTBSA-N	1	0	354.472	1.861	20	30		FDEDRO
C=CCc1cc(C[NH2+]C[C@@H](O)C[C@]2(O)CCOC2)cc(OC)c1OC	ZINC000905080429	851631961	/nfs/dbraw/zinc/63/19/61/851631961.db2.gz	MFDLZHIINHKGHC-QFBILLFUSA-N	1	0	351.443	1.424	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2	ZINC000913523988	862289087	/nfs/dbraw/zinc/28/90/87/862289087.db2.gz	UZSLSMFUBFOQLB-OAHLLOKOSA-N	1	0	365.474	1.084	20	30		FDEDRO
C[C@@](O)(C[NH2+]C[C@@H](n1cncn1)C(F)(F)F)C(F)(F)C(F)(F)F	ZINC000905399302	851905571	/nfs/dbraw/zinc/90/55/71/851905571.db2.gz	KAUNJQSNHAWUJQ-RNFRBKRXSA-N	1	0	356.217	1.920	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)cc1	ZINC000905446741	851923828	/nfs/dbraw/zinc/92/38/28/851923828.db2.gz	LEVYARSNILVPQG-NSHDSACASA-N	1	0	372.315	1.480	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F	ZINC000913517506	862300904	/nfs/dbraw/zinc/30/09/04/862300904.db2.gz	DKXBREYAXMRWKX-UHFFFAOYSA-N	1	0	369.322	1.720	20	30		FDEDRO
Cc1c(I)cccc1C(=O)NCC#CC[NH+](C)C	ZINC000913519698	862304157	/nfs/dbraw/zinc/30/41/57/862304157.db2.gz	LFXOIQHVTHKCED-UHFFFAOYSA-N	1	0	356.207	1.894	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1O	ZINC000913520378	862304724	/nfs/dbraw/zinc/30/47/24/862304724.db2.gz	OCWQMSJGLJTIIY-UHFFFAOYSA-N	1	0	373.331	1.798	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000913522372	862305929	/nfs/dbraw/zinc/30/59/29/862305929.db2.gz	GOVRWCZQBWURCI-DLBZAZTESA-N	1	0	363.502	1.951	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)c(OC)c1	ZINC000905572359	852044980	/nfs/dbraw/zinc/04/49/80/852044980.db2.gz	PWNNJQZIBRKOQX-VIPLHTEESA-N	1	0	363.454	1.557	20	30		FDEDRO
Cn1cc([C@@]2(C[NH2+]C[C@@H](O)COc3ccc(C#N)cc3)CCCO2)cn1	ZINC000905688017	852145241	/nfs/dbraw/zinc/14/52/41/852145241.db2.gz	SAVSKGHQUFUDQM-MJGOQNOKSA-N	1	0	356.426	1.327	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H]1CCCCCN1C(=O)OC(C)(C)C	ZINC000905686122	852177245	/nfs/dbraw/zinc/17/72/45/852177245.db2.gz	BZQCOCFJFSAHMZ-SJORKVTESA-N	1	0	368.522	1.962	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)Nc2ccc(Br)c(C#N)n2)CC1	ZINC000905982711	852472015	/nfs/dbraw/zinc/47/20/15/852472015.db2.gz	CAKPNJMBMBYXCO-UHFFFAOYSA-N	1	0	353.220	1.765	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1Br	ZINC000906726792	853268861	/nfs/dbraw/zinc/26/88/61/853268861.db2.gz	HUXUDNJJEKITAH-CYZMBNFOSA-N	1	0	363.215	1.268	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CCC[C@@]34CC[NH2+]C4)cc21	ZINC000906773322	853299475	/nfs/dbraw/zinc/29/94/75/853299475.db2.gz	VLOYIXJKVIAGRN-IBGZPJMESA-N	1	0	353.426	1.515	20	30		FDEDRO
C#Cc1ccc(S(=O)(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1	ZINC000907107967	853798670	/nfs/dbraw/zinc/79/86/70/853798670.db2.gz	RDTIXIDSNNRLIE-LJQANCHMSA-N	1	0	370.474	1.713	20	30		FDEDRO
COCCN1CC[C@@H](NS(=O)(=O)c2c(C#N)sc3ccccc32)C1	ZINC000907142108	853856157	/nfs/dbraw/zinc/85/61/57/853856157.db2.gz	LUNHZONJYLTJJF-GFCCVEGCSA-N	1	0	365.480	1.772	20	30		FDEDRO
C=CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc[nH+]cc2OC)CC1	ZINC000508910990	862506958	/nfs/dbraw/zinc/50/69/58/862506958.db2.gz	GIVYYFPCVLLQHA-OAHLLOKOSA-N	1	0	370.457	1.698	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC2CC[NH+](C3CCOCC3)CC2)s1	ZINC000907327411	854081977	/nfs/dbraw/zinc/08/19/77/854081977.db2.gz	CLEKKEMQWMLLLL-UHFFFAOYSA-N	1	0	355.485	1.541	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1nnc(CC)s1	ZINC000908180474	855129925	/nfs/dbraw/zinc/12/99/25/855129925.db2.gz	JJLJZZKJWXHIGH-NEPJUHHUSA-N	1	0	353.492	1.688	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1	ZINC000669253112	862684627	/nfs/dbraw/zinc/68/46/27/862684627.db2.gz	VMCVRBNIZDPIHY-SFHVURJKSA-N	1	0	364.534	1.524	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCc2ncncc2C1	ZINC000908694419	855683921	/nfs/dbraw/zinc/68/39/21/855683921.db2.gz	BNOUKWNCLCCRLC-WBVHZDCISA-N	1	0	367.457	1.353	20	30		FDEDRO
C=CCn1c(-c2ccc(=O)n(C)c2)nnc1N(C)CC[NH+]1CCCCC1	ZINC000908740181	855737211	/nfs/dbraw/zinc/73/72/11/855737211.db2.gz	JYWQHTXZZNUFKQ-UHFFFAOYSA-N	1	0	356.474	1.752	20	30		FDEDRO
N#CC[C@H](CC(=O)NCC(=O)NCC[NH+]1CCCCC1)c1ccccc1	ZINC000909316672	856399207	/nfs/dbraw/zinc/39/92/07/856399207.db2.gz	LXUQTXGDHLREDL-GOSISDBHSA-N	1	0	356.470	1.792	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1	ZINC000487783744	856729705	/nfs/dbraw/zinc/72/97/05/856729705.db2.gz	QHAMTSHFNRRINX-MSOLQXFVSA-N	1	0	364.534	1.476	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1	ZINC000910544213	857306815	/nfs/dbraw/zinc/30/68/15/857306815.db2.gz	CNWAJMCODGVPOX-UHFFFAOYSA-N	1	0	369.450	1.322	20	30		FDEDRO
CC[C@]1(C)CCN(C(=O)C(=O)N(c2ccc(C#N)cn2)[C@@H]2CCC[NH2+]C2)C1	ZINC000910858674	857787800	/nfs/dbraw/zinc/78/78/00/857787800.db2.gz	RNBREBDGUGRNBH-OXQOHEQNSA-N	1	0	369.469	1.687	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@@H]2CC[C@]21C[NH3+]	ZINC000911001211	858018109	/nfs/dbraw/zinc/01/81/09/858018109.db2.gz	KGNGWMXUFLEAAJ-UZLBHIALSA-N	1	0	357.454	1.598	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2CCCC[C@@H]2C2(C[NH3+])CCC2)cc1	ZINC000911314394	858482748	/nfs/dbraw/zinc/48/27/48/858482748.db2.gz	XYXAFAVCJFUPRY-GOSISDBHSA-N	1	0	368.481	1.879	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)cc1C#N	ZINC000911350269	858500918	/nfs/dbraw/zinc/50/09/18/858500918.db2.gz	DSCMRWXJFAKZKX-UHFFFAOYSA-N	1	0	362.433	1.445	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C	ZINC000911394740	858580785	/nfs/dbraw/zinc/58/07/85/858580785.db2.gz	DNOZWCOXXIPMJC-CRAIPNDOSA-N	1	0	356.470	1.659	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1C#N	ZINC000911436837	858618563	/nfs/dbraw/zinc/61/85/63/858618563.db2.gz	WQUOWDWZLNRDPC-KBPBESRZSA-N	1	0	368.359	1.079	20	30		FDEDRO
CC(C)(C)NC(NCCS(=O)(=O)c1ccccc1)=[NH+]C[C@@H]1CCCO1	ZINC000912508880	859832465	/nfs/dbraw/zinc/83/24/65/859832465.db2.gz	SGGGLPLJVFOVLG-HNNXBMFYSA-N	1	0	367.515	1.973	20	30		FDEDRO
CC(C)n1ccc(CC(=O)N[C@@H]2CN(Cc3cccc(C#N)c3)C[C@@H]2O)n1	ZINC001083657787	860078770	/nfs/dbraw/zinc/07/87/70/860078770.db2.gz	RFZJUICADMREBS-MOPGFXCFSA-N	1	0	367.453	1.240	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)[C@@H](O)C1	ZINC001083658974	860118492	/nfs/dbraw/zinc/11/84/92/860118492.db2.gz	AMDIZSSSILDFNS-NMLBUPMWSA-N	1	0	357.498	1.984	20	30		FDEDRO
C=CCn1c([C@@H]2CCO[C@H]2C)nnc1N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000669045200	860993932	/nfs/dbraw/zinc/99/39/32/860993932.db2.gz	GQRQOILURMYYEJ-YESZJQIVSA-N	1	0	363.506	1.904	20	30		FDEDRO
C#CC1(O)CCN(C(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)CC1	ZINC000912969920	861163505	/nfs/dbraw/zinc/16/35/05/861163505.db2.gz	PYVDUEJZXSRWHO-UHFFFAOYSA-N	1	0	355.482	1.494	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CCCCC2)C[C@H]1C	ZINC001105779213	863112498	/nfs/dbraw/zinc/11/24/98/863112498.db2.gz	SUBSIJSGKOODBQ-GDBMZVCRSA-N	1	0	364.490	1.263	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001105787211	863179826	/nfs/dbraw/zinc/17/98/26/863179826.db2.gz	NPQYNVDZCUHOOP-NVXWUHKLSA-N	1	0	358.413	1.750	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccsc2)C[C@H]1C	ZINC001105801212	863250617	/nfs/dbraw/zinc/25/06/17/863250617.db2.gz	VFMBYPLPDCCMCO-TZMCWYRMSA-N	1	0	364.471	1.058	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccsc2)C[C@H]1C	ZINC001105804826	863267090	/nfs/dbraw/zinc/26/70/90/863267090.db2.gz	BXRDEAFQOWEUSK-GDBMZVCRSA-N	1	0	362.499	1.808	20	30		FDEDRO
CC(C)CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C	ZINC001105849764	863484811	/nfs/dbraw/zinc/48/48/11/863484811.db2.gz	AGQRPNJPYIKVCK-BZUAXINKSA-N	1	0	368.547	1.478	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C)C(=O)NC(C)(C)C	ZINC001105850620	863489378	/nfs/dbraw/zinc/48/93/78/863489378.db2.gz	RKNVZJLMJXOMQJ-HZSPNIEDSA-N	1	0	354.520	1.230	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]CCCOCC(F)(F)F	ZINC001105847785	863492737	/nfs/dbraw/zinc/49/27/37/863492737.db2.gz	IGZINKLMHDOGSC-CHWSQXEVSA-N	1	0	367.437	1.896	20	30		FDEDRO
N#CCSCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(CO)cc1)C2	ZINC001111600495	863651750	/nfs/dbraw/zinc/65/17/50/863651750.db2.gz	VXEREBSCGOKWEE-HKUYNNGSSA-N	1	0	359.495	1.906	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC(=O)N(C(C)C)C2)C[C@H]1C(F)(F)F	ZINC001112110253	863719327	/nfs/dbraw/zinc/71/93/27/863719327.db2.gz	GIVOIHUYYPZKSA-BFHYXJOUSA-N	1	0	359.392	1.246	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCCNC(=O)C2CC2)C[C@H]1C(F)(F)F	ZINC001112110626	863742570	/nfs/dbraw/zinc/74/25/70/863742570.db2.gz	YRHFKPJGBCMQTJ-ZIAGYGMSSA-N	1	0	359.392	1.295	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2nn3c(c2C)OCCC3)C[C@H]1C(F)(F)F	ZINC001112110627	863743140	/nfs/dbraw/zinc/74/31/40/863743140.db2.gz	YTXRAEHGIKMHHO-CHWSQXEVSA-N	1	0	370.375	1.590	20	30		FDEDRO
N#Cc1cnccc1NC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]cn1	ZINC001060319576	863860846	/nfs/dbraw/zinc/86/08/46/863860846.db2.gz	ZNVLQZZENMPHBM-BZUAXINKSA-N	1	0	350.426	1.695	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@@H](CC)OC)C[C@H]2C)c1	ZINC001105907014	863873076	/nfs/dbraw/zinc/87/30/76/863873076.db2.gz	UUGMHYULPNUWNB-SZVBFZGTSA-N	1	0	371.481	1.716	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COCc2ccco2)[C@H](C)C1	ZINC001105922841	864025646	/nfs/dbraw/zinc/02/56/46/864025646.db2.gz	ARTAPOCEBDNNCI-BRWVUGGUSA-N	1	0	350.459	1.807	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)c3cocn3)C[C@H]2C)c1	ZINC001105936933	864113426	/nfs/dbraw/zinc/11/34/26/864113426.db2.gz	XRYQQNZZUHZPDR-GDBMZVCRSA-N	1	0	366.421	1.592	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCCCC2)[C@H](C)C1	ZINC001105942198	864168652	/nfs/dbraw/zinc/16/86/52/864168652.db2.gz	BHLQGGNVTOMZGP-HZPDHXFCSA-N	1	0	351.491	1.322	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]CCn2cnc3ccccc3c2=O)[C@H](C)C1	ZINC001105946289	864190525	/nfs/dbraw/zinc/19/05/25/864190525.db2.gz	PMEHEYZNEZGUIB-BZUAXINKSA-N	1	0	367.453	1.240	20	30		FDEDRO
Cc1ccc(CNC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)s1	ZINC001105952095	864211574	/nfs/dbraw/zinc/21/15/74/864211574.db2.gz	QEVTZKCIYVTGSO-UMVBOHGHSA-N	1	0	362.499	1.517	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2nnn(C)c2C)C[C@H]1C	ZINC001105972922	864285625	/nfs/dbraw/zinc/28/56/25/864285625.db2.gz	GFWZDDMGQNPPCY-BXKDBHETSA-N	1	0	356.268	1.330	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C(C)C)[C@H](C)C1	ZINC001105984462	864341766	/nfs/dbraw/zinc/34/17/66/864341766.db2.gz	KUVLEEVTKNEPQZ-FGTMMUONSA-N	1	0	367.534	1.909	20	30		FDEDRO
Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)on1	ZINC001105985405	864347551	/nfs/dbraw/zinc/34/75/51/864347551.db2.gz	IRQQPWRQRXKHNQ-BXUZGUMPSA-N	1	0	370.413	1.119	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCCC2)[C@H](C)C1	ZINC001105985812	864354446	/nfs/dbraw/zinc/35/44/46/864354446.db2.gz	UQPYFTLGASMSHA-QZTJIDSGSA-N	1	0	365.518	1.666	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(N)=O)cc3)[C@@H]2C)c1	ZINC001088846224	864546514	/nfs/dbraw/zinc/54/65/14/864546514.db2.gz	BTMVRVNGQMMFNU-KUHUBIRLSA-N	1	0	362.433	1.555	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CCc3cnn(CC)c3)[C@@H]2C)c1	ZINC001088846953	864553392	/nfs/dbraw/zinc/55/33/92/864553392.db2.gz	PNNNPZWRTAYMJB-BEFAXECRSA-N	1	0	351.454	1.715	20	30		FDEDRO
C[C@H](NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C)C1CC1	ZINC001106021586	864721962	/nfs/dbraw/zinc/72/19/62/864721962.db2.gz	YVZCGRDSHCGXKM-VNHYZAJKSA-N	1	0	357.458	1.099	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCOC)[C@H](C)C1	ZINC001106026087	864810848	/nfs/dbraw/zinc/81/08/48/864810848.db2.gz	VLJIWFVDVLUCJZ-IAGOWNOFSA-N	1	0	351.491	1.017	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C(C)(C)C)[C@H](C)C1	ZINC001106025633	864813611	/nfs/dbraw/zinc/81/36/11/864813611.db2.gz	AAMHWAJRVJITPN-HZPDHXFCSA-N	1	0	360.506	1.806	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]CCc2ccccc2CC)[C@H](C)C1	ZINC001106035628	864916403	/nfs/dbraw/zinc/91/64/03/864916403.db2.gz	WHMODTNTMPNFCB-YLJYHZDGSA-N	1	0	369.509	1.615	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C2=CCOCC2)C[C@H]1C	ZINC001106043045	864954995	/nfs/dbraw/zinc/95/49/95/864954995.db2.gz	IVABCELLJVNQGY-SJLPKXTDSA-N	1	0	361.486	1.218	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cc(C)nn2C)[C@H](C)C1	ZINC001106056700	865055187	/nfs/dbraw/zinc/05/51/87/865055187.db2.gz	BYTWKHWOAMFSOF-GDBMZVCRSA-N	1	0	359.474	1.155	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccnc(N(C)C)c2)[C@H](C)C1	ZINC001106059406	865069951	/nfs/dbraw/zinc/06/99/51/865069951.db2.gz	UOGAUJDDLNVVNL-MDYRTPRTSA-N	1	0	360.502	1.659	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1	ZINC001004878985	881836081	/nfs/dbraw/zinc/83/60/81/881836081.db2.gz	HDMJTSMTCDHDBA-CBFGRJNTSA-N	1	0	365.477	1.870	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2cn(C(C)(C)C)nn2)[C@H](C)C1	ZINC001106064727	865108704	/nfs/dbraw/zinc/10/87/04/865108704.db2.gz	GABIWUNHYXYKNA-CLCXKQKWSA-N	1	0	363.506	1.544	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2nnc(C)s2)[C@H](C)C1	ZINC001106065381	865110646	/nfs/dbraw/zinc/11/06/46/865110646.db2.gz	XJSLRNBJDLYDTE-TZMCWYRMSA-N	1	0	363.487	1.273	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nccc(C)n2)C[C@H]1C	ZINC001106072752	865249626	/nfs/dbraw/zinc/24/96/26/865249626.db2.gz	YSCHIFLMMNRFTM-NVXWUHKLSA-N	1	0	371.485	1.283	20	30		FDEDRO
C[C@@H](CCC(C)(C)C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106878108	881868374	/nfs/dbraw/zinc/86/83/74/881868374.db2.gz	FTCXXGGUABTCNH-ARFHVFGLSA-N	1	0	350.507	1.773	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3ccccc3)C[C@@H]2O)nn1	ZINC001083849016	881899016	/nfs/dbraw/zinc/89/90/16/881899016.db2.gz	JWTLAOCJJZTSBD-LESCRADOSA-N	1	0	355.442	1.390	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3n[nH]nc3C2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088977858	865852421	/nfs/dbraw/zinc/85/24/21/865852421.db2.gz	QPIGBBVUCHSTLA-COXVUDFISA-N	1	0	364.453	1.560	20	30		FDEDRO
COc1ccc(CN2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)cc1C#N	ZINC001088983057	865911772	/nfs/dbraw/zinc/91/17/72/865911772.db2.gz	FXCMAVDBYBHWIU-QAPCUYQASA-N	1	0	368.481	1.742	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCc2ccc(CC)cc2)C[C@H]1OC	ZINC001212193210	865940320	/nfs/dbraw/zinc/94/03/20/865940320.db2.gz	BIMXEFDPYKNGFK-SFHLNBCPSA-N	1	0	360.498	1.934	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc4nonc4c3)[C@@H]2C)nc1	ZINC001088990698	865949927	/nfs/dbraw/zinc/94/99/27/865949927.db2.gz	LKTWNMONWPSZHC-CJNGLKHVSA-N	1	0	361.405	1.992	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1OC	ZINC001212193983	866044685	/nfs/dbraw/zinc/04/46/85/866044685.db2.gz	LXMIRTSAGDZSJI-GGPKGHCWSA-N	1	0	357.454	1.810	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@]24C[C@H]2CCC4)C3)CC1	ZINC001005008852	881994053	/nfs/dbraw/zinc/99/40/53/881994053.db2.gz	OZIYLBNXGYJTDI-FHRFECMSSA-N	1	0	369.509	1.770	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(C)c(C#N)cn3)cn2)CC1	ZINC000457466377	867493129	/nfs/dbraw/zinc/49/31/29/867493129.db2.gz	SEYJEGKCKHGRMV-UHFFFAOYSA-N	1	0	364.453	1.729	20	30		FDEDRO
Cc1cc(C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)ncc1C#N	ZINC000457509283	867519910	/nfs/dbraw/zinc/51/99/10/867519910.db2.gz	RHCXWMVRKAKJRQ-IRXDYDNUSA-N	1	0	355.486	1.892	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)c2ccccc2C[NH+](C)C)C1	ZINC000992075039	867702701	/nfs/dbraw/zinc/70/27/01/867702701.db2.gz	SCLSUNNTQRWBRA-MOPGFXCFSA-N	1	0	371.481	1.670	20	30		FDEDRO
Cn1cc(C[N@H+](CCO)CCN2CCOCC2)c(-c2ccc(C#N)cc2)n1	ZINC000491251325	867869939	/nfs/dbraw/zinc/86/99/39/867869939.db2.gz	XJSDIHHUGUSJAE-UHFFFAOYSA-N	1	0	369.469	1.085	20	30		FDEDRO
COCc1ccc(CNC(=O)CON=C(N)C[N@@H+]2CCCC[C@@H]2C)cc1	ZINC000151531076	867984294	/nfs/dbraw/zinc/98/42/94/867984294.db2.gz	GDSHGLWCSBNIPQ-HNNXBMFYSA-N	1	0	362.474	1.612	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC(NC(=O)C2CC[NH+](C)CC2)C1	ZINC000992156294	868061872	/nfs/dbraw/zinc/06/18/72/868061872.db2.gz	ZNEOFTRUAAFRHT-SYNTWQANSA-N	1	0	363.502	1.320	20	30		FDEDRO
C#Cc1ccc(C(=O)NC2CC(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nc1	ZINC000992158589	868075067	/nfs/dbraw/zinc/07/50/67/868075067.db2.gz	ZCVJPCPLUKCVKG-BXNZUYAZSA-N	1	0	368.481	1.418	20	30		FDEDRO
CCS(=O)(=O)CCCCC[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C	ZINC001106101086	868087555	/nfs/dbraw/zinc/08/75/55/868087555.db2.gz	IHDCZHKJMXCOKU-SJLPKXTDSA-N	1	0	368.543	1.689	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccc(O)cc2)[C@H](C)C1	ZINC001106105314	868138221	/nfs/dbraw/zinc/13/82/21/868138221.db2.gz	RHJGCSRBHSGZOJ-HZPDHXFCSA-N	1	0	357.454	1.674	20	30		FDEDRO
CC(C)n1nccc1NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C	ZINC001106106302	868184817	/nfs/dbraw/zinc/18/48/17/868184817.db2.gz	QYGNYTPOHKMKRJ-NVXWUHKLSA-N	1	0	371.485	1.500	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCCN2C(=O)C#CC(C)(C)C)CC[N@@H+]1C	ZINC001061622692	882162491	/nfs/dbraw/zinc/16/24/91/882162491.db2.gz	RJOOROZYNHHOQX-IXDOHACOSA-N	1	0	363.502	1.110	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC2(COC)CC2)C[C@H]1C	ZINC001106110948	868376140	/nfs/dbraw/zinc/37/61/40/868376140.db2.gz	BNMUXFMZQRIYLA-OWCLPIDISA-N	1	0	351.491	1.178	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C(C)C)C(C)C)[C@H](C)C1	ZINC001106111872	868394257	/nfs/dbraw/zinc/39/42/57/868394257.db2.gz	RUYZLMCPGYAFKP-FGTMMUONSA-N	1	0	365.518	1.354	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)n2CCC)[C@H](C)C1	ZINC001106112244	868397380	/nfs/dbraw/zinc/39/73/80/868397380.db2.gz	ZHUUFXKEBHDOTB-BFYDXBDKSA-N	1	0	361.490	1.219	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCCCC2)[C@H](C)C1	ZINC001106112114	868401473	/nfs/dbraw/zinc/40/14/73/868401473.db2.gz	XASIZUCRPUABML-BRWVUGGUSA-N	1	0	363.502	1.158	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@H+](CCc1cnn(C)c1)CC2	ZINC000992238508	868540731	/nfs/dbraw/zinc/54/07/31/868540731.db2.gz	DYBRIAVADROIGW-LXZJYRNTSA-N	1	0	358.486	1.667	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(CC)s2)[C@H](C)C1	ZINC001106116790	868575429	/nfs/dbraw/zinc/57/54/29/868575429.db2.gz	NNCIKFBILNZWCP-HZSPNIEDSA-N	1	0	350.488	1.323	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(CC)CC)[C@H](C)C1	ZINC001106116492	868576576	/nfs/dbraw/zinc/57/65/76/868576576.db2.gz	FYBKHXHGCZYOBD-IXDOHACOSA-N	1	0	365.518	1.404	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCOCC2CC2)C[C@H]1C	ZINC001106116589	868577655	/nfs/dbraw/zinc/57/76/55/868577655.db2.gz	HXPBTMGQUFWWIW-BFYDXBDKSA-N	1	0	351.491	1.178	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+][C@H](C)c2nc(C(C)C)no2)[C@H](C)C1	ZINC001106117322	868593893	/nfs/dbraw/zinc/59/38/93/868593893.db2.gz	LNWIJQHZCYJICU-BZUAXINKSA-N	1	0	362.474	1.978	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]CCOc2ccccc2F)[C@H](C)C1	ZINC001106117605	868601702	/nfs/dbraw/zinc/60/17/02/868601702.db2.gz	VGPJIPOBIFHRTH-IAGOWNOFSA-N	1	0	362.445	1.929	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(C)nn(C)c3c2)CC1	ZINC000463706016	868635135	/nfs/dbraw/zinc/63/51/35/868635135.db2.gz	HNIZOHNZVKNXIM-UHFFFAOYSA-N	1	0	355.442	1.587	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3CC(C)(C)C)C2)CC1	ZINC000992346418	869060044	/nfs/dbraw/zinc/06/00/44/869060044.db2.gz	CJDFQIBFQMACGF-FUHWJXTLSA-N	1	0	359.514	1.731	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnn(C3CCC3)c2)C[C@H]1C	ZINC001106129984	869194327	/nfs/dbraw/zinc/19/43/27/869194327.db2.gz	NYJVGMDXIUEFBW-BZUAXINKSA-N	1	0	371.485	1.044	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2cccs2)C[C@@H]1O	ZINC001083853169	882283781	/nfs/dbraw/zinc/28/37/81/882283781.db2.gz	GACQGRXHQYBNLG-YVSFHVDLSA-N	1	0	350.484	1.433	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CCOc2ccccc2)C[C@@H]1O	ZINC001083853379	882295533	/nfs/dbraw/zinc/29/55/33/882295533.db2.gz	RDFPQWAZJHERRJ-RDGPPVDQSA-N	1	0	360.454	1.208	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)C[N@@H+](C)C2CCC2)C1	ZINC001060419867	869497886	/nfs/dbraw/zinc/49/78/86/869497886.db2.gz	IVAQWOMHXSTVJZ-NXHRZFHOSA-N	1	0	363.502	1.417	20	30		FDEDRO
CN1CC[NH+](C2CCN(C(=O)C(F)(F)c3ccccc3C#N)CC2)CC1	ZINC000913760668	869584200	/nfs/dbraw/zinc/58/42/00/869584200.db2.gz	OEXSOYPQMRKXKT-UHFFFAOYSA-N	1	0	362.424	1.888	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]nc3c2CCCC3)C[C@H]1C	ZINC001106133299	870017160	/nfs/dbraw/zinc/01/71/60/870017160.db2.gz	IRQZXCYZAGIYRV-HZPDHXFCSA-N	1	0	358.486	1.165	20	30		FDEDRO
C#CCN(C(=O)NCc1ccc(N2CCOCC2)nc1)C1CC[NH+](C)CC1	ZINC000913977961	870193959	/nfs/dbraw/zinc/19/39/59/870193959.db2.gz	WHMVPNJWHPXLNV-UHFFFAOYSA-N	1	0	371.485	1.157	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c(Cl)cnn2C)C[C@H]1C	ZINC001106137122	870530986	/nfs/dbraw/zinc/53/09/86/870530986.db2.gz	ODRSSGJMDQTMKA-FRRDWIJNSA-N	1	0	367.881	1.062	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]2C)cn1	ZINC000994381625	882428313	/nfs/dbraw/zinc/42/83/13/882428313.db2.gz	FODWJUCRGVTYIP-QGPMSJSTSA-N	1	0	356.470	1.227	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1	ZINC000914090047	870690521	/nfs/dbraw/zinc/69/05/21/870690521.db2.gz	XENWBDBNBLQLTQ-MOPGFXCFSA-N	1	0	358.486	1.049	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]2C)cn1	ZINC000994383300	882445029	/nfs/dbraw/zinc/44/50/29/882445029.db2.gz	FODWJUCRGVTYIP-KYJSFNMBSA-N	1	0	356.470	1.227	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCO[C@@H](C[NH+](C)C)C1	ZINC000914123533	870929586	/nfs/dbraw/zinc/92/95/86/870929586.db2.gz	VSQAOEIYBUQIEB-INIZCTEOSA-N	1	0	351.472	1.267	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)C2=COCCO2)[C@@H](n2ccnn2)C1	ZINC001128647422	882494520	/nfs/dbraw/zinc/49/45/20/882494520.db2.gz	RCKXLTKFJLCDGS-CVEARBPZSA-N	1	0	363.462	1.478	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc3nonc3c2)C1	ZINC001033431826	882513669	/nfs/dbraw/zinc/51/36/69/882513669.db2.gz	IXJDYKLJAAMODJ-DAYGRLMNSA-N	1	0	356.426	1.847	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H](C)[C@H]2CCCN(C(=O)OC)C2)CC1	ZINC000922048388	871525059	/nfs/dbraw/zinc/52/50/59/871525059.db2.gz	GCGSZUBATMXFTQ-CABCVRRESA-N	1	0	350.463	1.250	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1	ZINC000914176359	871691598	/nfs/dbraw/zinc/69/15/98/871691598.db2.gz	FGFAHXOBXRPNJR-QGZVFWFLSA-N	1	0	374.489	1.507	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@H](CC(C)C)NC(=O)OCC)CC1	ZINC000914206878	871848364	/nfs/dbraw/zinc/84/83/64/871848364.db2.gz	ASHDGXIDSLNQSX-INIZCTEOSA-N	1	0	352.479	1.544	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNS(=O)(=O)Cc2csc(C#N)c2)CC1	ZINC000914251239	872014132	/nfs/dbraw/zinc/01/41/32/872014132.db2.gz	QJDTZORFZLUJPM-UHFFFAOYSA-N	1	0	357.501	1.274	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1	ZINC000914255751	872073536	/nfs/dbraw/zinc/07/35/36/872073536.db2.gz	VKLLLAOAZQPCNI-HXUWFJFHSA-N	1	0	372.513	1.268	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCc2cnn(CC)c2)C1	ZINC001033493397	882621540	/nfs/dbraw/zinc/62/15/40/882621540.db2.gz	DKYTWMGUSSATGY-QYZOEREBSA-N	1	0	360.502	1.959	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2C)cc1	ZINC000994410142	882637018	/nfs/dbraw/zinc/63/70/18/882637018.db2.gz	FLKAYDIUSISFDU-IMFGXOCKSA-N	1	0	367.493	1.834	20	30		FDEDRO
C=C(Br)CNC(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O	ZINC000914418463	872794839	/nfs/dbraw/zinc/79/48/39/872794839.db2.gz	LHPZAUGDPYTMKP-RGCMKSIDSA-N	1	0	360.296	1.674	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(CNC(=O)C23CCC[NH+]2CCC3)C1	ZINC001003302376	873038283	/nfs/dbraw/zinc/03/82/83/873038283.db2.gz	YMIMTZULQORBDI-IRXDYDNUSA-N	1	0	361.486	1.171	20	30		FDEDRO
C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1CN(C(=O)c1ccn3c[nH+]cc3c1)C2	ZINC000992889929	873087125	/nfs/dbraw/zinc/08/71/25/873087125.db2.gz	KGHNRIWDAYKREL-LAUBAEHRSA-N	1	0	362.433	1.668	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2sccc2-n2cnnn2)[C@H](OC)C1	ZINC001212509848	873095581	/nfs/dbraw/zinc/09/55/81/873095581.db2.gz	MGXZNCACMTXGQU-TZMCWYRMSA-N	1	0	362.459	1.119	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1	ZINC000992893060	873096798	/nfs/dbraw/zinc/09/67/98/873096798.db2.gz	UDCWQHMXSMEAQL-NNMXDRDESA-N	1	0	371.525	1.827	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccncc2)CC1	ZINC001003363029	873215419	/nfs/dbraw/zinc/21/54/19/873215419.db2.gz	JVFRJLYMNCPFAK-QRVBRYPASA-N	1	0	366.465	1.289	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccco2)CC1	ZINC001003363545	873216652	/nfs/dbraw/zinc/21/66/52/873216652.db2.gz	QLTZWVHEXLDMIB-ZACQAIPSSA-N	1	0	355.438	1.487	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@]3(C)C2)CC[N@@H+]1C	ZINC000992991425	873543549	/nfs/dbraw/zinc/54/35/49/873543549.db2.gz	RIOPBHKGVXFCGN-PCFVDWANSA-N	1	0	369.469	1.147	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@@H]1CC[N@@H+](C)C1	ZINC001003502585	873613027	/nfs/dbraw/zinc/61/30/27/873613027.db2.gz	BVBRSBIZUKQHID-MLHJIOFPSA-N	1	0	370.497	1.878	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106199796	873646685	/nfs/dbraw/zinc/64/66/85/873646685.db2.gz	BHWSGNMSZPZLBU-BPQIPLTHSA-N	1	0	371.456	1.340	20	30		FDEDRO
CC(C)[C@H](C(=O)N1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C)C1)[NH+]1CCCC1	ZINC000993014910	873683133	/nfs/dbraw/zinc/68/31/33/873683133.db2.gz	FWQJRBFJOIKEGI-UZKOGDIHSA-N	1	0	371.525	1.827	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)[C@H](F)CC)C[C@@]3(C)C2)CC1	ZINC000993019693	873710111	/nfs/dbraw/zinc/71/01/11/873710111.db2.gz	MIYZOYMREMXAMX-SQGPQFPESA-N	1	0	363.477	1.387	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CCCNC(=O)C2CC2)C[C@H]1C	ZINC001106209349	873730750	/nfs/dbraw/zinc/73/07/50/873730750.db2.gz	ZIHFQUWYPPQURI-NVXWUHKLSA-N	1	0	351.491	1.180	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@]2(C)C1	ZINC000993038753	873842489	/nfs/dbraw/zinc/84/24/89/873842489.db2.gz	BYLCJRSXKZSNRE-UTKZUKDTSA-N	1	0	370.497	1.690	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC(CNC(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)C2)CC1	ZINC001003636001	873901480	/nfs/dbraw/zinc/90/14/80/873901480.db2.gz	KNGRWDMJNSXIDP-SLFFLAALSA-N	1	0	371.525	1.733	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2nc(-c3cccc(F)c3)no2)CC1	ZINC000922236318	874026565	/nfs/dbraw/zinc/02/65/65/874026565.db2.gz	PIPWCBMIASMTAA-UHFFFAOYSA-N	1	0	357.389	1.773	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(C)C)[C@H](C)C2)CCOCC1	ZINC001106232551	874036315	/nfs/dbraw/zinc/03/63/15/874036315.db2.gz	BZEVCKAMGIBSOI-IAGOWNOFSA-N	1	0	363.502	1.015	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3ccnn3C)[C@H](C)C2)CCOCC1	ZINC001106232722	874037941	/nfs/dbraw/zinc/03/79/41/874037941.db2.gz	HDNUAJFTWJVFKR-IAGOWNOFSA-N	1	0	358.486	1.424	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+][C@@H]3CCN(C(C)C)C3=O)[C@H](C)C2)CCC1	ZINC001106236151	874061762	/nfs/dbraw/zinc/06/17/62/874061762.db2.gz	BSZMGXFSMRCMPR-KZNAEPCWSA-N	1	0	359.514	1.873	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccn2CC=C)C[C@H]1C	ZINC001106255644	874170146	/nfs/dbraw/zinc/17/01/46/874170146.db2.gz	CCYJPOFCWCLKFM-BRWVUGGUSA-N	1	0	358.486	1.663	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2cnn3c2CCCC3)C[C@H]1C	ZINC001106274743	874339023	/nfs/dbraw/zinc/33/90/23/874339023.db2.gz	SAYSIHFGNJNOBL-SJLPKXTDSA-N	1	0	358.486	1.096	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2snnc2C2CC2)C[C@H]1C	ZINC001106277108	874349215	/nfs/dbraw/zinc/34/92/15/874349215.db2.gz	GUEPHWKCTQKKMT-DGCLKSJQSA-N	1	0	363.487	1.015	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@]2(CC(C)C)CCNC2=O)C[C@H]1C	ZINC001106278821	874378874	/nfs/dbraw/zinc/37/88/74/874378874.db2.gz	MAJXXOXCVBPNEA-SIIHOXLZSA-N	1	0	355.910	1.975	20	30		FDEDRO
O=S1(=O)CC[C@H](NN=Cc2ccc(OCC[NH+]3CCCC3)cc2)C1	ZINC000914689975	874506086	/nfs/dbraw/zinc/50/60/86/874506086.db2.gz	FYTFLSNAMQGCGB-INIZCTEOSA-N	1	0	351.472	1.272	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1C	ZINC001106309972	874740977	/nfs/dbraw/zinc/74/09/77/874740977.db2.gz	JRBRDDAOMWDPTE-NMFUWQPSSA-N	1	0	374.323	1.298	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cn3c(n2)CC[C@@H](C)C3)C[C@H]1C	ZINC001106314437	874753301	/nfs/dbraw/zinc/75/33/01/874753301.db2.gz	IZJKIXLILIXKCU-BRWVUGGUSA-N	1	0	358.486	1.413	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(C(N)=O)nc2)C[C@H]1C	ZINC001106318516	874768837	/nfs/dbraw/zinc/76/88/37/874768837.db2.gz	GRDTVDSLBYWSKT-HLLBOEOZSA-N	1	0	358.486	1.762	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]C[C@H](O)COC)[C@H](C)C2)cc1	ZINC001106331103	874803895	/nfs/dbraw/zinc/80/38/95/874803895.db2.gz	MZDYTHSGJMGSKW-NXHRZFHOSA-N	1	0	362.470	1.556	20	30		FDEDRO
C[C@@]12CN(C(=O)C#CC3CC3)C[C@@H]1CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C2	ZINC000993145477	874877407	/nfs/dbraw/zinc/87/74/07/874877407.db2.gz	JUDRXZVHYJXUTI-CBQOVEMMSA-N	1	0	369.509	1.581	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)COC2CCCCC2)C[C@H]1C	ZINC001106355870	874887906	/nfs/dbraw/zinc/88/79/06/874887906.db2.gz	YBPXHJJPOVDBGR-BRWVUGGUSA-N	1	0	363.502	1.158	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1	ZINC000495272983	874917337	/nfs/dbraw/zinc/91/73/37/874917337.db2.gz	SDMPYXBKBYXLEM-KBPBESRZSA-N	1	0	358.442	1.742	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1	ZINC000495272984	874917349	/nfs/dbraw/zinc/91/73/49/874917349.db2.gz	SDMPYXBKBYXLEM-KGLIPLIRSA-N	1	0	358.442	1.742	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(=O)NC(C)C)C[C@H]1C	ZINC001106373476	874977990	/nfs/dbraw/zinc/97/79/90/874977990.db2.gz	GHNQNKWVONMKAC-IAGOWNOFSA-N	1	0	352.523	1.093	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(=O)NC(C)C)C[C@H]1C	ZINC001106373561	874979237	/nfs/dbraw/zinc/97/92/37/874979237.db2.gz	JSIJAPQTUKUIBK-KZNAEPCWSA-N	1	0	366.550	1.482	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2ccnnc2C)C[C@H]1C	ZINC001106379725	874994928	/nfs/dbraw/zinc/99/49/28/874994928.db2.gz	MWBMMTNGXXZMMX-ZWNOBZJWSA-N	1	0	353.264	1.991	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)C2CCOCC2)C[C@H]1C	ZINC001106400190	875101072	/nfs/dbraw/zinc/10/10/72/875101072.db2.gz	IDRGWGMCPVZOKN-HZPDHXFCSA-N	1	0	365.518	1.426	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nc(C)c(C)nc2C)C[C@H]1C	ZINC001106401094	875102537	/nfs/dbraw/zinc/10/25/37/875102537.db2.gz	XGASNFZYJIOUEP-MLGOLLRUSA-N	1	0	359.474	1.002	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)COCc2ncc(C)o2)C[C@H]1C	ZINC001106411084	875178595	/nfs/dbraw/zinc/17/85/95/875178595.db2.gz	ZDWIBUDRBXDZKC-GDBMZVCRSA-N	1	0	351.447	1.386	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccn3ccnc3c2)C[C@H]1C	ZINC001106419323	875203227	/nfs/dbraw/zinc/20/32/27/875203227.db2.gz	FSUZTGILQDFHQC-HLLBOEOZSA-N	1	0	369.469	1.323	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(C(F)F)nn2C)C[C@H]1C	ZINC001106419852	875205882	/nfs/dbraw/zinc/20/58/82/875205882.db2.gz	WZWRSRAEFJADQV-CHWSQXEVSA-N	1	0	354.401	1.305	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nccc3occc32)C[C@H]1C	ZINC001106461046	875448348	/nfs/dbraw/zinc/44/83/48/875448348.db2.gz	HCXNDIPUNFYKTP-ZIAGYGMSSA-N	1	0	356.426	1.428	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCCC2(F)F)C[C@H]1C	ZINC001106473332	875537722	/nfs/dbraw/zinc/53/77/22/875537722.db2.gz	HBHJKAZWHBKCCT-KFWWJZLASA-N	1	0	355.429	1.245	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]Cc2cnns2)[C@H](C)C1	ZINC001106486004	875639701	/nfs/dbraw/zinc/63/97/01/875639701.db2.gz	JMBCCIAHHJACKM-CPUCHLNUSA-N	1	0	352.504	1.951	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H](OCC)C2CCOCC2)C[C@H]1C	ZINC001106486303	875641214	/nfs/dbraw/zinc/64/12/14/875641214.db2.gz	OBIUCZOCBFVCLW-BHIYHBOVSA-N	1	0	368.518	1.705	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C(C)C)on2)C[C@H]1C	ZINC001106492338	875693728	/nfs/dbraw/zinc/69/37/28/875693728.db2.gz	PWKWMCVHJWWWCY-RBSFLKMASA-N	1	0	362.474	1.786	20	30		FDEDRO
COc1ccc([C@@H](O)C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)cc1	ZINC000915225944	875792514	/nfs/dbraw/zinc/79/25/14/875792514.db2.gz	GXLAZRRUKTVULX-XLIONFOSSA-N	1	0	356.422	1.824	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@@]3(C)C2)cn1	ZINC000993191869	875810486	/nfs/dbraw/zinc/81/04/86/875810486.db2.gz	OXOCAJHDYQTJHX-DJPFJPOOSA-N	1	0	366.465	1.078	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC(F)(F)F)[C@H](C)C1	ZINC001106529510	875874115	/nfs/dbraw/zinc/87/41/15/875874115.db2.gz	YSNOJOQGLFJAMP-CHWSQXEVSA-N	1	0	363.424	1.903	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)[C@H](C)C1	ZINC001106533766	875886473	/nfs/dbraw/zinc/88/64/73/875886473.db2.gz	JYWWEXBFVQLFAS-KZNAEPCWSA-N	1	0	368.543	1.689	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCOCC)[C@H](C)C1	ZINC001106533867	875888172	/nfs/dbraw/zinc/88/81/72/875888172.db2.gz	PGVRFQJHBMCKPV-QZTJIDSGSA-N	1	0	365.518	1.407	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106554265	875939674	/nfs/dbraw/zinc/93/96/74/875939674.db2.gz	GUMSTXQRKBJELJ-SUMDDJOVSA-N	1	0	371.456	1.340	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cc(C)on2)[C@H](C)C1	ZINC001106559475	875966320	/nfs/dbraw/zinc/96/63/20/875966320.db2.gz	WFLBCHMWVSLVKE-GDBMZVCRSA-N	1	0	360.458	1.799	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CCCO2)C[C@H]1C	ZINC001106574437	875993913	/nfs/dbraw/zinc/99/39/13/875993913.db2.gz	IIHNLGNNJZQJBF-INMHGKMJSA-N	1	0	362.474	1.762	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@H]1C	ZINC001106580071	876023652	/nfs/dbraw/zinc/02/36/52/876023652.db2.gz	XHSOQEITXCQCMI-MDZRGWNJSA-N	1	0	369.481	1.224	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc[nH]c2C2CC2)C[C@H]1C	ZINC001106588367	876071371	/nfs/dbraw/zinc/07/13/71/876071371.db2.gz	QXCHKWLPCXXENA-IIAWOOMASA-N	1	0	358.486	1.881	20	30		FDEDRO
CCC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)c1ccccn1	ZINC001106588632	876073026	/nfs/dbraw/zinc/07/30/26/876073026.db2.gz	DPHWPNXQZUFGCL-BRWVUGGUSA-N	1	0	371.485	1.289	20	30		FDEDRO
C[C@@H](c1ccccc1)[N@@H+]1C[C@@H](NC(=O)CSCC#N)[C@@H](n2ccnn2)C1	ZINC001128732298	882993664	/nfs/dbraw/zinc/99/36/64/882993664.db2.gz	XOTYDMRSPBQNBK-UAGQMJEPSA-N	1	0	370.482	1.638	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+]CC[C@@H]2CCS(=O)(=O)C2)[C@H](C)C1	ZINC001106609981	876184455	/nfs/dbraw/zinc/18/44/55/876184455.db2.gz	XEQVJGBZQUJMAO-BRWVUGGUSA-N	1	0	356.532	1.852	20	30		FDEDRO
CCc1nc(C#N)cc(NCC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)n1	ZINC001106611341	876194521	/nfs/dbraw/zinc/19/45/21/876194521.db2.gz	ILXIEMAKOLOOGS-VNQPRFMTSA-N	1	0	358.490	1.948	20	30		FDEDRO
C[C@H](OC(=O)CSCC#N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000915386474	876216837	/nfs/dbraw/zinc/21/68/37/876216837.db2.gz	MEKRBCDCCKHXBO-HOCLYGCPSA-N	1	0	361.467	1.566	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c(C)cc(C)cc2C)C[C@H]1C	ZINC001106617298	876229353	/nfs/dbraw/zinc/22/93/53/876229353.db2.gz	KKJJTAZNDBWCEU-RTBURBONSA-N	1	0	369.509	1.588	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c(C)cccc2Cl)C[C@H]1C	ZINC001106623207	876253975	/nfs/dbraw/zinc/25/39/75/876253975.db2.gz	MKUHMXLAHQKQMO-HUUCEWRRSA-N	1	0	361.873	1.696	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NCCC)[C@H](C)C1	ZINC001106629670	876279309	/nfs/dbraw/zinc/27/93/09/876279309.db2.gz	RYXIFIHZNLPDGB-SPYBWZPUSA-N	1	0	366.506	1.509	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1C	ZINC001106635993	876319048	/nfs/dbraw/zinc/31/90/48/876319048.db2.gz	NXKSAWKGWGJSFC-HCKVZZMMSA-N	1	0	358.280	1.248	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)N(CC)CC)[C@H](C)C2)c1	ZINC001106650422	876388158	/nfs/dbraw/zinc/38/81/58/876388158.db2.gz	MZVDRVGAVUSQCA-JTDSTZFVSA-N	1	0	370.497	1.618	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC(F)(F)C(F)F)C[C@H]1C	ZINC001106670709	876492045	/nfs/dbraw/zinc/49/20/45/876492045.db2.gz	MFIHKKSNPPSRIH-IJLUTSLNSA-N	1	0	367.387	1.652	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nccc3[nH]ccc32)C[C@H]1C	ZINC001106676654	876542744	/nfs/dbraw/zinc/54/27/44/876542744.db2.gz	XLBJLLGXRDDYKR-ZIAGYGMSSA-N	1	0	355.442	1.163	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2c(C)c[nH]c2CC(N)=O)C[C@H]1C	ZINC001106685123	876543914	/nfs/dbraw/zinc/54/39/14/876543914.db2.gz	VLFRILUKEXFYLF-DGCLKSJQSA-N	1	0	352.866	1.401	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)[C@H](C)C1	ZINC001106680931	876548942	/nfs/dbraw/zinc/54/89/42/876548942.db2.gz	NCZOTIHVJYHYFB-FPCVCCKLSA-N	1	0	351.491	1.176	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCc2nc(C)no2)[C@H](C)C1	ZINC001106681107	876550065	/nfs/dbraw/zinc/55/00/65/876550065.db2.gz	VTMFIGKMSHREMR-DZUCGIPZSA-N	1	0	362.474	1.586	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc3[nH]ccc32)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106688786	876568768	/nfs/dbraw/zinc/56/87/68/876568768.db2.gz	UJRJOWTVQFCTMV-ZIAGYGMSSA-N	1	0	353.426	1.105	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2noc3c2CCCC3)C[C@H]1C	ZINC001106693697	876576233	/nfs/dbraw/zinc/57/62/33/876576233.db2.gz	XCFVOMTVFLPPGZ-ZIAGYGMSSA-N	1	0	360.458	1.153	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@H]1C	ZINC001106702139	876626878	/nfs/dbraw/zinc/62/68/78/876626878.db2.gz	WSYUKIUYUNLPLL-BZUAXINKSA-N	1	0	361.552	1.579	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@H]3CN(C(=O)C#CC4CC4)C[C@@]3(C)C2)C1	ZINC000993282185	876798845	/nfs/dbraw/zinc/79/88/45/876798845.db2.gz	GVQQIMKSSBDKEM-KNKQGSTJSA-N	1	0	371.525	1.829	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC001005358387	883068449	/nfs/dbraw/zinc/06/84/49/883068449.db2.gz	SQVJJFRRRPQKGA-QXWBOSQLSA-N	1	0	369.469	1.478	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccnc(C3CC3)n2)C[C@H]1C	ZINC001106721145	876955906	/nfs/dbraw/zinc/95/59/06/876955906.db2.gz	UMGVBIQRGARWPV-IIAWOOMASA-N	1	0	371.485	1.342	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]CCOC(C)C)[C@H](C)C1	ZINC001106734305	877281589	/nfs/dbraw/zinc/28/15/89/877281589.db2.gz	VREDWDGMLXZIHQ-KBAYOESNSA-N	1	0	353.507	1.566	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2cncs2)[C@H](C)C1	ZINC001106734355	877282139	/nfs/dbraw/zinc/28/21/39/877282139.db2.gz	XFIMZQOEXOXARN-FRFSOERESA-N	1	0	364.515	1.798	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCC2)[C@H](C)C1	ZINC001106752907	877525131	/nfs/dbraw/zinc/52/51/31/877525131.db2.gz	SQGQNMJMIAIXLZ-VXNCWWDNSA-N	1	0	363.502	1.274	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC1(C)CC[NH+](C)CC1	ZINC000272478699	877586762	/nfs/dbraw/zinc/58/67/62/877586762.db2.gz	FDQZYEZNGFXCJS-UHFFFAOYSA-N	1	0	358.442	1.744	20	30		FDEDRO
N#C[C@]1(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC2CCC1CC2	ZINC000922350670	877834588	/nfs/dbraw/zinc/83/45/88/877834588.db2.gz	IVHPDDHLPFANRD-KWOGNLBTSA-N	1	0	374.529	1.619	20	30		FDEDRO
N#Cc1ccccc1/C=C\C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000922348490	877843381	/nfs/dbraw/zinc/84/33/81/877843381.db2.gz	VHMRKPNINBDHRD-AQWUKCDYSA-N	1	0	368.481	1.484	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccco2)C[C@H]1C	ZINC001106785871	877909312	/nfs/dbraw/zinc/90/93/12/877909312.db2.gz	GYNOGFDMIYWUEA-HZPDHXFCSA-N	1	0	360.458	1.268	20	30		FDEDRO
CCCCCC[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106788022	877915809	/nfs/dbraw/zinc/91/58/09/877915809.db2.gz	CNFBOFFDWNSOSG-GVDBMIGSSA-N	1	0	350.507	1.917	20	30		FDEDRO
COCCn1cc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1	ZINC000272571635	877931983	/nfs/dbraw/zinc/93/19/83/877931983.db2.gz	OQMJALYKYAZZRP-SFHVURJKSA-N	1	0	353.426	1.686	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccn(Cc3ccccc3)n2)CC1	ZINC000922393319	878027174	/nfs/dbraw/zinc/02/71/74/878027174.db2.gz	AHRVKTIPJLRITQ-UHFFFAOYSA-N	1	0	351.454	1.828	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(-n3cncn3)n2)C[C@H]1C	ZINC001106815088	878236734	/nfs/dbraw/zinc/23/67/34/878236734.db2.gz	PBIQJVGTBADELE-TZMCWYRMSA-N	1	0	360.849	1.713	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@H]2CC[C@@H]([NH+]3CCN(C)CC3)CC2)cc1	ZINC000763229603	878273175	/nfs/dbraw/zinc/27/31/75/878273175.db2.gz	NDRWUJLPXJTEDP-KDURUIRLSA-N	1	0	355.482	1.987	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2cc(C)nc(N3CCCC3)c2)CC1	ZINC000922527226	878454756	/nfs/dbraw/zinc/45/47/56/878454756.db2.gz	DVOKDQOYKVSDQV-UHFFFAOYSA-N	1	0	355.486	1.887	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3cn4c(C)csc4n3)[C@H]2C1	ZINC001083161981	912358481	/nfs/dbraw/zinc/35/84/81/912358481.db2.gz	DDUAZUSEAJDQLT-JKSUJKDBSA-N	1	0	358.467	1.182	20	30		FDEDRO
C#CCN(C(=O)NCc1cccc(N2CCOCC2)c1)C1CC[NH+](C)CC1	ZINC000922608127	878769753	/nfs/dbraw/zinc/76/97/53/878769753.db2.gz	PIQVSJDOQWVTRD-UHFFFAOYSA-N	1	0	370.497	1.762	20	30		FDEDRO
C[C@@H](C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@@H]1O)[NH+]1CCCCCC1	ZINC001083831626	879137405	/nfs/dbraw/zinc/13/74/05/879137405.db2.gz	ULSYQXGQJWFTME-DBVUQKKJSA-N	1	0	370.497	1.484	20	30		FDEDRO
C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CC1	ZINC001004489635	879690809	/nfs/dbraw/zinc/69/08/09/879690809.db2.gz	MTSCGYQQSCSXGI-KURKYZTESA-N	1	0	363.502	1.689	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@H]2OC)C1	ZINC000946632743	879920054	/nfs/dbraw/zinc/92/00/54/879920054.db2.gz	OXKGNAZEEWJSHQ-BRWVUGGUSA-N	1	0	363.502	1.558	20	30		FDEDRO
CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)NCC#CC[NH+](C)C)cc1	ZINC000929323390	879935737	/nfs/dbraw/zinc/93/57/37/879935737.db2.gz	DETCVSPKVAJAMU-UHFFFAOYSA-N	1	0	366.487	1.402	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3c(C)cccc3C)C[C@@H]2O)nn1	ZINC001083843686	879963066	/nfs/dbraw/zinc/96/30/66/879963066.db2.gz	UGMMNXGGQTWSIT-AEFFLSMTSA-N	1	0	355.442	1.056	20	30		FDEDRO
CS(=O)(=O)N(CC[NH3+])c1cc(Br)cc(Cl)c1C#N	ZINC001162129354	880018967	/nfs/dbraw/zinc/01/89/67/880018967.db2.gz	WTJBULWPCCNLDI-UHFFFAOYSA-N	1	0	352.641	1.699	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1	ZINC000648939640	880086353	/nfs/dbraw/zinc/08/63/53/880086353.db2.gz	FLXAHQNZSWKLIB-LJQANCHMSA-N	1	0	373.497	1.317	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C)C1	ZINC000994032215	880474067	/nfs/dbraw/zinc/47/40/67/880474067.db2.gz	MDEMHHNWLGOPNB-BPLDGKMQSA-N	1	0	355.910	1.928	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cocc1C)C2	ZINC000999380642	912651842	/nfs/dbraw/zinc/65/18/42/912651842.db2.gz	PEJLGUWSRZQYLH-UBDQQSCGSA-N	1	0	355.438	1.547	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)NC1CCC2(CC1)CC[NH+](C)CC2	ZINC000915961010	881252062	/nfs/dbraw/zinc/25/20/62/881252062.db2.gz	JDYBCFIVNFFOPT-UHFFFAOYSA-N	1	0	372.535	1.337	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)N[C@@H]1CCC[N@H+](CCCO)C1	ZINC000916015072	881291954	/nfs/dbraw/zinc/29/19/54/881291954.db2.gz	LSYVTXNPCNRUKF-QGZVFWFLSA-N	1	0	365.499	1.441	20	30		FDEDRO
C[NH+](C)CCCNC(=S)NN=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000766021084	881301749	/nfs/dbraw/zinc/30/17/49/881301749.db2.gz	REOIZHRYCKOAON-UHFFFAOYSA-N	1	0	354.392	1.253	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1	ZINC001005410749	883265555	/nfs/dbraw/zinc/26/55/55/883265555.db2.gz	UIZVXZCQBKUUQG-OLMNPRSZSA-N	1	0	363.502	1.558	20	30		FDEDRO
C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CCC[C@H]2C2CCCCC2)c1=O	ZINC000917478582	883453378	/nfs/dbraw/zinc/45/33/78/883453378.db2.gz	OVEOGJIQPTUANU-KRWDZBQOSA-N	1	0	374.485	1.546	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC000999407930	912720248	/nfs/dbraw/zinc/72/02/48/912720248.db2.gz	QVZBGZPXMRWOJU-OWQGQXMQSA-N	1	0	361.417	1.582	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2ccnn2C)[C@@H](n2ccnn2)C1	ZINC001128794194	883661693	/nfs/dbraw/zinc/66/16/93/883661693.db2.gz	KIVSZKYYFQDWOM-WBVHZDCISA-N	1	0	357.462	1.413	20	30		FDEDRO
CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(C#N)[nH]2)CC1	ZINC001005492265	883670163	/nfs/dbraw/zinc/67/01/63/883670163.db2.gz	LRULQCWRXDKRDF-NXHRZFHOSA-N	1	0	369.469	1.480	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](OC)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001128816942	883733837	/nfs/dbraw/zinc/73/38/37/883733837.db2.gz	SUVBTALSIXNAQO-CEXWTWQISA-N	1	0	369.469	1.974	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2C)C[C@@H]1n1ccnn1	ZINC001128825420	883748028	/nfs/dbraw/zinc/74/80/28/883748028.db2.gz	QGBJGOAZJHJEPJ-UHOSZYNNSA-N	1	0	369.469	1.892	20	30		FDEDRO
Cc1cccc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@@H](C)C#N)[C@@H](n2ccnn2)C1	ZINC001128829116	883751409	/nfs/dbraw/zinc/75/14/09/883751409.db2.gz	BRDKJVCJKUXMNX-JQHSSLGASA-N	1	0	352.442	1.596	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nnc(C3CC3)n2C)C1	ZINC000999429056	912754010	/nfs/dbraw/zinc/75/40/10/912754010.db2.gz	WMLHGIBSFVAJJT-FJBKBRRZSA-N	1	0	359.474	1.363	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C#N)c2ccc(F)cc2)CC1=O	ZINC000497851169	883778067	/nfs/dbraw/zinc/77/80/67/883778067.db2.gz	FDRHTWAGZBOKFG-NXHRZFHOSA-N	1	0	372.444	1.839	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)CNC(=O)CC)[C@@H](n2ccnn2)C1	ZINC001128838597	883813645	/nfs/dbraw/zinc/81/36/45/883813645.db2.gz	KFHYEPJCUZTLJX-CVEARBPZSA-N	1	0	364.494	1.116	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1	ZINC000917821755	883815540	/nfs/dbraw/zinc/81/55/40/883815540.db2.gz	AYWTWDFDHPXVDI-CQSZACIVSA-N	1	0	359.455	1.815	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NC(=O)CNc2ccc(C#N)cn2)[C@H](C)C1	ZINC000497881370	883821605	/nfs/dbraw/zinc/82/16/05/883821605.db2.gz	RGFPFQLKWMNRBY-NVXWUHKLSA-N	1	0	359.474	1.618	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cn(C(C)(C)C)nn2)C1	ZINC000999429370	912755645	/nfs/dbraw/zinc/75/56/45/912755645.db2.gz	BDZKLRSRWFZUMN-BNICSPFPSA-N	1	0	361.490	1.703	20	30		FDEDRO
CCCCCC[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](n2ccnn2)C1	ZINC001128877797	883915197	/nfs/dbraw/zinc/91/51/97/883915197.db2.gz	IFDLADGYBXDKQU-SJORKVTESA-N	1	0	355.446	1.713	20	30		FDEDRO
CC(C)CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](n2ccnn2)C1	ZINC001128891548	883967951	/nfs/dbraw/zinc/96/79/51/883967951.db2.gz	GNHFBBFQTJUDCF-SJORKVTESA-N	1	0	355.446	1.569	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)C2=CCOCC2)[C@@H](n2ccnn2)C1	ZINC001128913639	884097287	/nfs/dbraw/zinc/09/72/87/884097287.db2.gz	MGHWGZVPLJBPOB-MSOLQXFVSA-N	1	0	361.490	1.937	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1NC(=O)C#CC(C)C	ZINC001212231289	884102776	/nfs/dbraw/zinc/10/27/76/884102776.db2.gz	UCQSRJYMBMSHHX-ZIAGYGMSSA-N	1	0	350.381	1.430	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@@H]1n1ccnn1	ZINC001128929318	884146116	/nfs/dbraw/zinc/14/61/16/884146116.db2.gz	GJDWJCBNLJNZIT-AOIWGVFYSA-N	1	0	361.490	1.527	20	30		FDEDRO
C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1	ZINC001034398864	884293614	/nfs/dbraw/zinc/29/36/14/884293614.db2.gz	PQGQDDVALRJGKI-ZACQAIPSSA-N	1	0	351.491	1.559	20	30		FDEDRO
C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001034440914	884378216	/nfs/dbraw/zinc/37/82/16/884378216.db2.gz	YNLBCPZTEOOFEP-ZIFCJYIRSA-N	1	0	354.454	1.205	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)c1	ZINC000918412386	884436504	/nfs/dbraw/zinc/43/65/04/884436504.db2.gz	AFXOYONZTOGTHS-GOSISDBHSA-N	1	0	355.438	1.320	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@@H]1O	ZINC001083999465	912825337	/nfs/dbraw/zinc/82/53/37/912825337.db2.gz	QYFFGCFQGIORQS-RTWAWAEBSA-N	1	0	364.445	1.064	20	30		FDEDRO
Cc1ccc(C)c(C[N@@H+]2C[C@@H](NC(=O)C#CC3CC3)[C@@H](n3ccnn3)C2)c1	ZINC001128966662	884479235	/nfs/dbraw/zinc/47/92/35/884479235.db2.gz	HJNIZYKGNHWGTC-UXHICEINSA-N	1	0	363.465	1.850	20	30		FDEDRO
C=CCNC(=O)c1ccccc1NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1	ZINC000262751644	884560950	/nfs/dbraw/zinc/56/09/50/884560950.db2.gz	KAOLEDJRLKJMAW-AWEZNQCLSA-N	1	0	353.426	1.976	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)N2CCCC2)CC1	ZINC001034646896	884608315	/nfs/dbraw/zinc/60/83/15/884608315.db2.gz	ADVHJBCYVQDUMB-TVFCKZIOSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3c[nH]nc32)[C@@H](n2ccnn2)C1	ZINC001128993816	884866715	/nfs/dbraw/zinc/86/67/15/884866715.db2.gz	UCNTWWCUIDGXGN-ZACQAIPSSA-N	1	0	369.473	1.429	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O)C1CC[NH+](C)CC1	ZINC000918775780	884928507	/nfs/dbraw/zinc/92/85/07/884928507.db2.gz	KOWHXKFDAAMVAX-LJQANCHMSA-N	1	0	368.481	1.921	20	30		FDEDRO
C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C1	ZINC000918963160	885094251	/nfs/dbraw/zinc/09/42/51/885094251.db2.gz	RYSDSECYHYRVPX-GOSISDBHSA-N	1	0	365.499	1.565	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]Cc2ccc(CNC(=O)[C@]34C[C@H]3COC4)cc2)C1=O	ZINC001034816954	885149926	/nfs/dbraw/zinc/14/99/26/885149926.db2.gz	AWPFCFHRDIJOQH-UEXGIBASSA-N	1	0	369.465	1.216	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCc3ccc(OC)cc3)C[C@@H]2O)nc1	ZINC001083970281	912920794	/nfs/dbraw/zinc/92/07/94/912920794.db2.gz	MLMXMJGPAYZJAT-UXHICEINSA-N	1	0	365.433	1.089	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)cc1	ZINC001034999272	885478050	/nfs/dbraw/zinc/47/80/50/885478050.db2.gz	AOIHOCZZMVOCSZ-ZGXWSNOMSA-N	1	0	369.465	1.690	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nccn1C(F)F	ZINC001035053688	885560085	/nfs/dbraw/zinc/56/00/85/885560085.db2.gz	HWCMIGFSRXQEKH-MCIONIFRSA-N	1	0	354.401	1.950	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2nc(CC)c[nH]2)[C@@H](n2ccnn2)C1	ZINC001129053396	885583767	/nfs/dbraw/zinc/58/37/67/885583767.db2.gz	YARYLIQNMJETPX-UAGQMJEPSA-N	1	0	371.489	1.503	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2ccnc2)[C@@H](n2ccnn2)C1	ZINC001129054884	885587857	/nfs/dbraw/zinc/58/78/57/885587857.db2.gz	OENKIZKVUKGOMM-SQNIBIBYSA-N	1	0	371.489	1.680	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cn(C)nc2CC)[C@@H](n2ccnn2)C1	ZINC001129064971	885629572	/nfs/dbraw/zinc/62/95/72/885629572.db2.gz	OWZFIUCQROLOQZ-SJORKVTESA-N	1	0	357.462	1.196	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)C1=O	ZINC001127486964	885680636	/nfs/dbraw/zinc/68/06/36/885680636.db2.gz	YDUVKQAFTHYQDD-KSZLIROESA-N	1	0	355.482	1.919	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2nc(C)cc2C)[C@@H](n2ccnn2)C1	ZINC001129093470	885720919	/nfs/dbraw/zinc/72/09/19/885720919.db2.gz	HMSABLCGEPAEAZ-NXHRZFHOSA-N	1	0	371.489	1.488	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CCc2ccc(F)cc2)[C@@H](n2ccnn2)C1	ZINC001129098894	885731391	/nfs/dbraw/zinc/73/13/91/885731391.db2.gz	RJXGLTHWTQCOEW-MSOLQXFVSA-N	1	0	355.417	1.415	20	30		FDEDRO
C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)CC2	ZINC001035197694	885739768	/nfs/dbraw/zinc/73/97/68/885739768.db2.gz	RSDKSUODYSKVRR-HZPDHXFCSA-N	1	0	355.910	1.773	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](CC(=O)NC)C2)CC1	ZINC001035237310	885799812	/nfs/dbraw/zinc/79/98/12/885799812.db2.gz	WBAHVKLEYACJDT-WMZOPIPTSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1n1ccnn1	ZINC001129127666	885819363	/nfs/dbraw/zinc/81/93/63/885819363.db2.gz	JPQNESGCMFVEAS-AOIWGVFYSA-N	1	0	361.490	1.649	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2C)[C@@H](n2ccnn2)C1	ZINC001129143458	885857870	/nfs/dbraw/zinc/85/78/70/885857870.db2.gz	BZABTCBUSPTPGZ-SJORKVTESA-N	1	0	359.478	1.935	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@@H]1n1ccnn1	ZINC001129159597	885892879	/nfs/dbraw/zinc/89/28/79/885892879.db2.gz	MIDBYKCCGLHQLO-KGLIPLIRSA-N	1	0	353.417	1.877	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)C1	ZINC000919634878	885962873	/nfs/dbraw/zinc/96/28/73/885962873.db2.gz	LFYGJPBQRZMOLW-IAGOWNOFSA-N	1	0	372.473	1.260	20	30		FDEDRO
C#CCCCCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1n1ccnn1	ZINC001129179365	886006681	/nfs/dbraw/zinc/00/66/81/886006681.db2.gz	CYKDWTZNZGYIEL-KSZLIROESA-N	1	0	359.474	1.240	20	30		FDEDRO
CC(=O)N1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1	ZINC001106896221	886009692	/nfs/dbraw/zinc/00/96/92/886009692.db2.gz	BERDGBJMSYSAQY-UIFIKXQLSA-N	1	0	367.493	1.733	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@@H]1n1ccnn1	ZINC001129189358	886082267	/nfs/dbraw/zinc/08/22/67/886082267.db2.gz	MJYUOTKUDAZXNG-KURKYZTESA-N	1	0	359.474	1.382	20	30		FDEDRO
C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCO[C@H]1c1ccnn1CC)CC2	ZINC001035725428	886378756	/nfs/dbraw/zinc/37/87/56/886378756.db2.gz	SFMRWUMMQQZWNH-IEBWSBKVSA-N	1	0	370.497	1.928	20	30		FDEDRO
C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[C@H](C(=O)N3CCCC3)O1)CC2	ZINC001035793382	886446473	/nfs/dbraw/zinc/44/64/73/886446473.db2.gz	TZORTYRHXVFMIE-SJORKVTESA-N	1	0	361.486	1.267	20	30		FDEDRO
CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)CC3(C#N)CC3)C2)[C@@H]1C(C)C	ZINC000920302898	886841044	/nfs/dbraw/zinc/84/10/44/886841044.db2.gz	JMLQFEWSWJNOKD-AIANPOQGSA-N	1	0	355.504	1.079	20	30		FDEDRO
C[NH+]1CCC(NC(=S)N2CCN([C@@H](C#N)c3ccccc3)CC2)CC1	ZINC000920307221	886852643	/nfs/dbraw/zinc/85/26/43/886852643.db2.gz	GNOXWTIZPQPFLA-SFHVURJKSA-N	1	0	357.527	1.838	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)c2cccc(F)c2)[C@@H](n2ccnn2)C1	ZINC001129252718	886866978	/nfs/dbraw/zinc/86/69/78/886866978.db2.gz	HYWPRPRIFXUELX-IPELMVKDSA-N	1	0	369.444	1.976	20	30		FDEDRO
Cc1nsc(N(C)C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1C#N	ZINC001062186310	886971618	/nfs/dbraw/zinc/97/16/18/886971618.db2.gz	JLSFIYBZQITVDS-QLFBSQMISA-N	1	0	361.515	1.948	20	30		FDEDRO
CCc1nc(C#N)cc(N(C)C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001062186034	886986512	/nfs/dbraw/zinc/98/65/12/886986512.db2.gz	DOTDAEXXUXVLAL-HLLBOEOZSA-N	1	0	370.501	1.536	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2(CF)CCOCC2)[C@@H](n2ccnn2)C1	ZINC001129267068	887059116	/nfs/dbraw/zinc/05/91/16/887059116.db2.gz	WNFSUJKKTVPWCW-CVEARBPZSA-N	1	0	365.453	1.352	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC	ZINC001062347847	887060801	/nfs/dbraw/zinc/06/08/01/887060801.db2.gz	GKWJKRSUKURARP-AOIWGVFYSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2[nH]c(C)nc2C)[C@@H](n2ccnn2)C1	ZINC001129271399	887099104	/nfs/dbraw/zinc/09/91/04/887099104.db2.gz	CWMSVBUYUGWKQF-WQVCFCJDSA-N	1	0	357.462	1.628	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)C1(CO)CCC1	ZINC000429277800	887632084	/nfs/dbraw/zinc/63/20/84/887632084.db2.gz	ZOBADYBAGBFXDK-UHFFFAOYSA-N	1	0	362.474	1.798	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ccccc3OC)C2=O)CC1	ZINC000921426364	887941631	/nfs/dbraw/zinc/94/16/31/887941631.db2.gz	TZEOAAMHQHVGCE-MRXNPFEDSA-N	1	0	370.453	1.197	20	30		FDEDRO
COC(OC)[C@@H](C)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000923092274	888006586	/nfs/dbraw/zinc/00/65/86/888006586.db2.gz	PYVKBWXLDRNISW-CQSZACIVSA-N	1	0	360.458	1.829	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](CC[NH+](C)C)c1cccnc1	ZINC000921479506	888051729	/nfs/dbraw/zinc/05/17/29/888051729.db2.gz	LAYOICIRTOWXGU-ZBFHGGJFSA-N	1	0	353.492	1.390	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCCc2ccc(C)cc2)C[C@H]1OC	ZINC001212258270	888078998	/nfs/dbraw/zinc/07/89/98/888078998.db2.gz	PWXHCFSGKFXWCN-DFQSSKMNSA-N	1	0	358.482	1.781	20	30		FDEDRO
Cc1cc(NC(=O)CN(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)no1	ZINC000378491824	888181440	/nfs/dbraw/zinc/18/14/40/888181440.db2.gz	HBOIALXEFRECLQ-UHFFFAOYSA-N	1	0	364.409	2.326	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@H]1C	ZINC001106903397	888297788	/nfs/dbraw/zinc/29/77/88/888297788.db2.gz	PWBGHYMQAKNSAL-JHJVBQTASA-N	1	0	361.408	1.397	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1	ZINC000938597474	888881245	/nfs/dbraw/zinc/88/12/45/888881245.db2.gz	PLFFGWNDFKWVFC-SQNIBIBYSA-N	1	0	363.502	1.369	20	30		FDEDRO
C#CCN(C(=O)NCC1(CC(=O)NC)CCCCC1)C1CC[NH+](C)CC1	ZINC000923327511	888922796	/nfs/dbraw/zinc/92/27/96/888922796.db2.gz	MNECBVXWOFMSOQ-UHFFFAOYSA-N	1	0	362.518	1.812	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cn(CCOC)nc2C)[C@H](OC)C1	ZINC001212272569	888957526	/nfs/dbraw/zinc/95/75/26/888957526.db2.gz	VKXFYHIXGZERPI-IAGOWNOFSA-N	1	0	350.463	1.233	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)CC1	ZINC000245566912	889027499	/nfs/dbraw/zinc/02/74/99/889027499.db2.gz	UCKGNULXXJGHMJ-YLJYHZDGSA-N	1	0	372.513	1.947	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)N2CCCCC2=O)[C@H](OC)C1	ZINC001212279567	889284208	/nfs/dbraw/zinc/28/42/08/889284208.db2.gz	OVOFKRXLYSFJHX-BRWVUGGUSA-N	1	0	351.491	1.559	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC1CCCCCC1	ZINC001127609417	889742818	/nfs/dbraw/zinc/74/28/18/889742818.db2.gz	YURCGMLVZVTZLP-SJORKVTESA-N	1	0	351.491	1.512	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc2c(c1)CCC(=O)N2C	ZINC001127609424	889743085	/nfs/dbraw/zinc/74/30/85/889743085.db2.gz	YXGHSYBYOYIVSY-MJGOQNOKSA-N	1	0	371.481	1.783	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@H](c2ccnc(N)n2)C1	ZINC000333009808	889755424	/nfs/dbraw/zinc/75/54/24/889755424.db2.gz	UUOZIRNXMMICJS-GJZGRUSLSA-N	1	0	356.474	1.969	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC1CCCCC1	ZINC001127612710	889901883	/nfs/dbraw/zinc/90/18/83/889901883.db2.gz	AUCWUGYKUWDXHG-OIISXLGYSA-N	1	0	351.491	1.511	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1CN(C(=O)CCc2c[nH]cn2)C1	ZINC001006164699	889945693	/nfs/dbraw/zinc/94/56/93/889945693.db2.gz	HTFRHSTZBYVVRD-OWQGQXMQSA-N	1	0	360.458	1.287	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)C1	ZINC000923580970	889962006	/nfs/dbraw/zinc/96/20/06/889962006.db2.gz	FRGDXZDXMQEXQU-MOPGFXCFSA-N	1	0	353.466	1.434	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc3c(c2)NC(=O)C3)[C@H](OC)C1	ZINC001212311168	890024196	/nfs/dbraw/zinc/02/41/96/890024196.db2.gz	HNSBCDYGRLGSPQ-FSPWUOQZSA-N	1	0	357.454	1.965	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CCN(c3ccnc(C#N)n3)C2)CC[N@@H+]1C	ZINC001063145892	890240292	/nfs/dbraw/zinc/24/02/92/890240292.db2.gz	FEUWTHUXZYGPSH-HRCADAONSA-N	1	0	356.474	1.506	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCC2(NC(=O)CC#Cc3ccccc3)CCC2)CC[N@@H+]1C	ZINC001063223265	890327871	/nfs/dbraw/zinc/32/78/71/890327871.db2.gz	ATZQFUDYZBHWGZ-IEBWSBKVSA-N	1	0	367.493	1.924	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1CN(CC(=O)N2CCC[C@H](C)C2)C[C@H]1OC	ZINC001212339193	890383547	/nfs/dbraw/zinc/38/35/47/890383547.db2.gz	ZEFVWEPYNLXMRC-GVDBMIGSSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cnc3cc[nH]cc-3c2=O)[C@H](OC)C1	ZINC001212342760	890708378	/nfs/dbraw/zinc/70/83/78/890708378.db2.gz	QQKKPCXNGOCUEC-IAGOWNOFSA-N	1	0	356.426	1.318	20	30		FDEDRO
N#Cc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)cc1	ZINC001001842705	891418397	/nfs/dbraw/zinc/41/83/97/891418397.db2.gz	QWIJGSYITZKARR-MOPGFXCFSA-N	1	0	368.481	1.788	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H](C)C2CC2)C3)CC1	ZINC001001871848	891537900	/nfs/dbraw/zinc/53/79/00/891537900.db2.gz	ICADGCCMCBOQKU-PIKADFDJSA-N	1	0	357.498	1.626	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[C@H]3CCC)C2)CC1	ZINC000939985009	891605467	/nfs/dbraw/zinc/60/54/67/891605467.db2.gz	HEELZUHQGJUGNI-NXWXRZEISA-N	1	0	359.514	1.731	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CCCC4=O)[C@@H]3C2)c1	ZINC001084180027	913595134	/nfs/dbraw/zinc/59/51/34/913595134.db2.gz	MSBSBYOXKHPGNR-QZTJIDSGSA-N	1	0	352.438	1.213	20	30		FDEDRO
C[C@H](CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C#N)[nH]1)C2)n1ccnc1	ZINC001002086481	891908671	/nfs/dbraw/zinc/90/86/71/891908671.db2.gz	WYIGADOSZFSIOL-WNOSKKOXSA-N	1	0	366.425	1.596	20	30		FDEDRO
C[NH+](C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(C#N)c1)C2)C1CC1	ZINC001002143201	891982661	/nfs/dbraw/zinc/98/26/61/891982661.db2.gz	RGZCEJZJHICIKZ-WCXIOVBPSA-N	1	0	355.442	1.088	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3C3CCC3)C2)CC1	ZINC001002185580	892129894	/nfs/dbraw/zinc/12/98/94/892129894.db2.gz	UVZHOPUEUUAPBE-RBUKOAKNSA-N	1	0	357.498	1.342	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C	ZINC000940383157	892399647	/nfs/dbraw/zinc/39/96/47/892399647.db2.gz	HQUSPQKGMLRTAU-VQHPVUNQSA-N	1	0	363.502	1.273	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2ccc3c(c2)COC3)C[C@H]1C	ZINC001106921070	892577337	/nfs/dbraw/zinc/57/73/37/892577337.db2.gz	VEEZIGYNTUCTFG-OXQOHEQNSA-N	1	0	356.466	1.593	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cnc2C)C[C@H]1C	ZINC001106922971	892599556	/nfs/dbraw/zinc/59/95/56/892599556.db2.gz	VOKYCDXSPACJBV-ZWNOBZJWSA-N	1	0	355.280	1.853	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000940718889	893005017	/nfs/dbraw/zinc/00/50/17/893005017.db2.gz	NEHNMUVXOIPIMS-NJAFHUGGSA-N	1	0	368.437	1.646	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(CC=C)CCOCC2)C[C@H]1C	ZINC001106932281	893026691	/nfs/dbraw/zinc/02/66/91/893026691.db2.gz	YDQSGWGEENXMGV-IAGOWNOFSA-N	1	0	363.502	1.346	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3c3ccco3)C2)CC1	ZINC001002478868	893033759	/nfs/dbraw/zinc/03/37/59/893033759.db2.gz	QVIKXTQGTJKIGH-QZTJIDSGSA-N	1	0	369.465	1.303	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1	ZINC001002500534	893048806	/nfs/dbraw/zinc/04/88/06/893048806.db2.gz	WTKXEQSANZAYKU-KURKYZTESA-N	1	0	363.502	1.130	20	30		FDEDRO
CCOc1ccccc1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106939994	893114975	/nfs/dbraw/zinc/11/49/75/893114975.db2.gz	XDUCSTPRGUPXDT-HUUCEWRRSA-N	1	0	358.442	1.023	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)CC1(C)C	ZINC000940753928	893127181	/nfs/dbraw/zinc/12/71/81/893127181.db2.gz	QRKQZZFWCQXBBV-IKGGRYGDSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(F)cc2F)C[C@H]1C	ZINC001106940624	893182758	/nfs/dbraw/zinc/18/27/58/893182758.db2.gz	ZCKUBJHWVHFXPO-HZSPNIEDSA-N	1	0	365.424	1.953	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](Cc3ccncc3)C2)CC1	ZINC000672356840	893182981	/nfs/dbraw/zinc/18/29/81/893182981.db2.gz	NMLHZQVMQUPZEL-GOSISDBHSA-N	1	0	370.497	1.629	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)CC[N@@H+]1C	ZINC000940812611	893286386	/nfs/dbraw/zinc/28/63/86/893286386.db2.gz	MYRFKIOPWBXIQO-DLBZAZTESA-N	1	0	357.458	1.291	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)C2)CC1	ZINC000940962687	893535144	/nfs/dbraw/zinc/53/51/44/893535144.db2.gz	UUAVEIAKBYTYIR-KZNAEPCWSA-N	1	0	359.514	1.731	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C(=O)N(C)C)cc3)C[C@H]21	ZINC001084232819	913786662	/nfs/dbraw/zinc/78/66/62/913786662.db2.gz	IZBJNOUAIJURKH-ZTFGCOKTSA-N	1	0	354.454	1.581	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)C[N@@H+](C)C(C)C)CC2	ZINC001061137859	893786789	/nfs/dbraw/zinc/78/67/89/893786789.db2.gz	MOXZODVBXWFDMG-SJORKVTESA-N	1	0	363.502	1.369	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CNC(=O)c2cccs2)C[C@H]1C	ZINC001106949089	893889817	/nfs/dbraw/zinc/88/98/17/893889817.db2.gz	RPMMYOLJGPVRBI-HUUCEWRRSA-N	1	0	365.499	1.365	20	30		FDEDRO
C=CC[C@H](CO)[NH2+]Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000921996067	893953900	/nfs/dbraw/zinc/95/39/00/893953900.db2.gz	VSSLPUZWJQTJFV-CABCVRRESA-N	1	0	365.478	1.877	20	30		FDEDRO
Cc1noc(CCC[N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)n1	ZINC001084288568	913819645	/nfs/dbraw/zinc/81/96/45/913819645.db2.gz	ZLUYPPCTZOOBJQ-CZUORRHYSA-N	1	0	354.414	1.357	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCC(=O)N2CCOCC2)C[C@H]1C	ZINC001106952983	894319231	/nfs/dbraw/zinc/31/92/31/894319231.db2.gz	KEPFVZJPYHASMQ-IAGOWNOFSA-N	1	0	351.491	1.276	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(OC)c2ncccc12	ZINC000922024938	894518529	/nfs/dbraw/zinc/51/85/29/894518529.db2.gz	VLVGLSQDEHSXRV-UHFFFAOYSA-N	1	0	373.478	1.962	20	30		FDEDRO
COc1ccc(C#N)cc1CN1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001002853174	894654303	/nfs/dbraw/zinc/65/43/03/894654303.db2.gz	UMXLPCKVPOMFJS-DNVCBOLYSA-N	1	0	370.497	1.988	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)c2ccn3c[nH+]cc3c2)CC1	ZINC000941730316	895602636	/nfs/dbraw/zinc/60/26/36/895602636.db2.gz	IUJNPTZJYHPRDV-MSOLQXFVSA-N	1	0	368.437	1.600	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@H](OC)C1	ZINC000941779901	895720937	/nfs/dbraw/zinc/72/09/37/895720937.db2.gz	LVIIWJSDEPQMNP-BRWVUGGUSA-N	1	0	365.518	1.804	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1	ZINC000941823411	895778911	/nfs/dbraw/zinc/77/89/11/895778911.db2.gz	ZKYIKIQSKAWLNA-SJORKVTESA-N	1	0	363.502	1.513	20	30		FDEDRO
CCc1cc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)sc1C	ZINC001106961401	895877294	/nfs/dbraw/zinc/87/72/94/895877294.db2.gz	VUJFJKZDNVENQS-IUODEOHRSA-N	1	0	362.499	1.556	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)n(C)c2C)C[C@H]1C	ZINC001106966543	896443572	/nfs/dbraw/zinc/44/35/72/896443572.db2.gz	YCRPROFHOMIEBN-UKPHBRMFSA-N	1	0	358.486	1.078	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)[C@H](OC)C1	ZINC000942121064	896443861	/nfs/dbraw/zinc/44/38/61/896443861.db2.gz	YQQDCOQSQSBTFL-IXDOHACOSA-N	1	0	365.518	1.805	20	30		FDEDRO
CCn1nc(C)c(C(=O)N[C@@H]2CN(Cc3cccc(C#N)c3)C[C@H]2O)c1C	ZINC001077848564	896500986	/nfs/dbraw/zinc/50/09/86/896500986.db2.gz	DTDXUQOOKVWTSG-QZTJIDSGSA-N	1	0	367.453	1.367	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCc1cn([C@@H]2CC[N@H+](CC3CC3)C2)nn1	ZINC000999987062	896518748	/nfs/dbraw/zinc/51/87/48/896518748.db2.gz	NJZINUIYNYHOQC-KURKYZTESA-N	1	0	359.474	1.532	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)CC2(CCOCC2)C1	ZINC001089948504	896823009	/nfs/dbraw/zinc/82/30/09/896823009.db2.gz	XPFXCFGKTOSVMN-OTWHNJEPSA-N	1	0	360.498	1.812	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccccc2C)C[C@H]1C	ZINC001106969274	896886031	/nfs/dbraw/zinc/88/60/31/896886031.db2.gz	SPASXXFAZFAYON-ZIFCJYIRSA-N	1	0	357.498	1.912	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)C1	ZINC001077957386	897132745	/nfs/dbraw/zinc/13/27/45/897132745.db2.gz	BJYQNAFVMYXCFH-UAXWRAGISA-N	1	0	354.372	1.945	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cccc(-n3cnnn3)c2)C[C@H]1C	ZINC001106970658	897192760	/nfs/dbraw/zinc/19/27/60/897192760.db2.gz	NTCLZVSDDWSXAK-NVXWUHKLSA-N	1	0	370.457	1.163	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COc2ccc(C)cc2C)C[C@H]1C	ZINC001106971100	897198473	/nfs/dbraw/zinc/19/84/73/897198473.db2.gz	JMPMVWWAWAAHCD-QZTJIDSGSA-N	1	0	371.481	1.116	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@@H+](CCCF)CC2(CCOCC2)C1	ZINC001089956522	897224118	/nfs/dbraw/zinc/22/41/18/897224118.db2.gz	BTTGHVOYHLBDHR-ZACQAIPSSA-N	1	0	354.466	1.924	20	30		FDEDRO
C#CC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@@H]3C[C@H]3C3CCC3)C2)n1	ZINC001128127015	897392040	/nfs/dbraw/zinc/39/20/40/897392040.db2.gz	WNOBDJHPYIOUNT-GBESFXJTSA-N	1	0	352.482	1.936	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[N@H+](CCCO)CC2(CCOCC2)C1	ZINC001089962985	897466347	/nfs/dbraw/zinc/46/63/47/897466347.db2.gz	DHUXGKJIDCUZEP-SQNIBIBYSA-N	1	0	366.502	1.337	20	30		FDEDRO
C#CC[C@@H](CO)NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1	ZINC000921749914	897588418	/nfs/dbraw/zinc/58/84/18/897588418.db2.gz	RXVBLOJHMWGDGO-IBGZPJMESA-N	1	0	370.497	1.402	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)Cn2ccnc2C)C[C@H]1C	ZINC001106986476	897601926	/nfs/dbraw/zinc/60/19/26/897601926.db2.gz	QPAIKUMOLBTHBA-BXUZGUMPSA-N	1	0	355.280	1.784	20	30		FDEDRO
CC[C@@H](C(=O)N1CC[C@@]2(CNC(=O)c3cc(C#N)c[nH]3)CCC[C@@H]12)[NH+](C)C	ZINC000995269120	897667143	/nfs/dbraw/zinc/66/71/43/897667143.db2.gz	GDETVVAZRBRDJY-SQGPQFPESA-N	1	0	371.485	1.728	20	30		FDEDRO
CC[C@H](C(=O)N1CC[C@@]2(CNC(=O)c3cc(C#N)c[nH]3)CCC[C@@H]12)[NH+](C)C	ZINC000995269115	897667224	/nfs/dbraw/zinc/66/72/24/897667224.db2.gz	GDETVVAZRBRDJY-MBOZVWFJSA-N	1	0	371.485	1.728	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC000995278068	897755697	/nfs/dbraw/zinc/75/56/97/897755697.db2.gz	ZWWGVQDQVBRGSV-ZJKGHYPUSA-N	1	0	365.477	1.789	20	30		FDEDRO
CC[C@H](C(=O)N1CC[C@@]2(CNC(=O)c3c[nH]c(C#N)c3)CCC[C@@H]12)[NH+](C)C	ZINC000995275725	897765751	/nfs/dbraw/zinc/76/57/51/897765751.db2.gz	WMIRTOOANVOQPQ-MBOZVWFJSA-N	1	0	371.485	1.728	20	30		FDEDRO
CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1	ZINC000942814005	897897214	/nfs/dbraw/zinc/89/72/14/897897214.db2.gz	NIOQEWYAZRBSGP-FVQBIDKESA-N	1	0	357.458	1.290	20	30		FDEDRO
CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1	ZINC000942814795	897902035	/nfs/dbraw/zinc/90/20/35/897902035.db2.gz	UCBCIBJCIBYFMX-KBRIMQKVSA-N	1	0	357.458	1.290	20	30		FDEDRO
C#Cc1ccc(C(=O)N(CC)[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC000942893774	898046027	/nfs/dbraw/zinc/04/60/27/898046027.db2.gz	OQBBJXYBZDLZOH-KBAYOESNSA-N	1	0	368.481	1.466	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C(=O)CCC)C1	ZINC001078219887	898398906	/nfs/dbraw/zinc/39/89/06/898398906.db2.gz	QHSNDYNGTUFFEM-IXDOHACOSA-N	1	0	351.491	1.295	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCCN(C(=O)C[NH+]2CCCC2)C1	ZINC000943281907	898597897	/nfs/dbraw/zinc/59/78/97/898597897.db2.gz	BGGALEQHSIDZTA-AOIWGVFYSA-N	1	0	363.502	1.561	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@]2(CNC(=O)c3ccc4c[nH+]cn4c3)CCC[C@@H]12	ZINC000995339704	898677194	/nfs/dbraw/zinc/67/71/94/898677194.db2.gz	DGPNGLZHIQECAJ-WIBUTAKZSA-N	1	0	365.437	1.995	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cnoc2C)C1	ZINC001078402761	898735646	/nfs/dbraw/zinc/73/56/46/898735646.db2.gz	XKORTTJTMGSMBM-KSZLIROESA-N	1	0	363.458	1.671	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC2CCOCC2)C1	ZINC001078402765	898735964	/nfs/dbraw/zinc/73/59/64/898735964.db2.gz	XLJISZFVFCDEBZ-OTWHNJEPSA-N	1	0	366.502	1.601	20	30		FDEDRO
N#Cc1ccccc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CCCO1	ZINC001078475631	898816328	/nfs/dbraw/zinc/81/63/28/898816328.db2.gz	SPGNTFWVUWYWKF-WTGUMLROSA-N	1	0	369.465	1.833	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cncs2)C1	ZINC001078484230	898834925	/nfs/dbraw/zinc/83/49/25/898834925.db2.gz	DIGQFNZAQMFRBA-XIRDDKMYSA-N	1	0	365.499	1.831	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2ccccn2)C1	ZINC001078485918	898842008	/nfs/dbraw/zinc/84/20/08/898842008.db2.gz	JZEYZUZQVRBJMR-QYZOEREBSA-N	1	0	359.470	1.770	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC000943517920	898947013	/nfs/dbraw/zinc/94/70/13/898947013.db2.gz	GSXJDDXJWKAIEO-ATZDWAIDSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCCC[C@H](NC(=O)[C@@H]3C[C@H]3CC)C2)CC1	ZINC000943556432	899011295	/nfs/dbraw/zinc/01/12/95/899011295.db2.gz	RVESWSXKWCXXHJ-NZSAHSFTSA-N	1	0	359.514	1.875	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000656192244	899023235	/nfs/dbraw/zinc/02/32/35/899023235.db2.gz	HGAMDWBUARIZFE-WTGUMLROSA-N	1	0	373.497	1.902	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)c1cccc(F)c1	ZINC001107005829	899292236	/nfs/dbraw/zinc/29/22/36/899292236.db2.gz	ALEUMSYBEXJZEG-IIAWOOMASA-N	1	0	360.433	1.253	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC)[C@H](C)C1	ZINC001107014132	899543373	/nfs/dbraw/zinc/54/33/73/899543373.db2.gz	NIQMGGWURAQIMM-BHIYHBOVSA-N	1	0	357.498	1.852	20	30		FDEDRO
CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CC#Cc3ccccc3)C[C@H]2C)C1=O	ZINC001107016780	899552367	/nfs/dbraw/zinc/55/23/67/899552367.db2.gz	DSQNUQNTLQDGDT-RLLQIKCJSA-N	1	0	367.493	1.733	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)c2ccccc2C)C[C@H]1C	ZINC001107017033	899553287	/nfs/dbraw/zinc/55/32/87/899553287.db2.gz	MATAWJKFGDHESK-FGTMMUONSA-N	1	0	355.482	1.532	20	30		FDEDRO
CCCC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1	ZINC001107021923	899601582	/nfs/dbraw/zinc/60/15/82/899601582.db2.gz	DRLKZUUEYNNCKZ-KZNAEPCWSA-N	1	0	363.502	1.111	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2sccc2CC)C[C@H]1C	ZINC001107026124	899629210	/nfs/dbraw/zinc/62/92/10/899629210.db2.gz	JQUBJHFIMKZZDU-IJEWVQPXSA-N	1	0	361.511	1.746	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)n2c(C)ccc2C)C[C@H]1C	ZINC001107030962	899643224	/nfs/dbraw/zinc/64/32/24/899643224.db2.gz	FUFNIPDWZBXMQN-ZTFGCOKTSA-N	1	0	358.486	1.099	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1	ZINC000944080238	899820928	/nfs/dbraw/zinc/82/09/28/899820928.db2.gz	MAWQOWHHNYVRFY-IKGGRYGDSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1	ZINC000415650788	899903192	/nfs/dbraw/zinc/90/31/92/899903192.db2.gz	QIXVXECEYBVXBQ-DOMZBBRYSA-N	1	0	359.430	1.319	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCO[C@H]3c3nccn3C)[C@@H]2C1	ZINC001084419835	914395357	/nfs/dbraw/zinc/39/53/57/914395357.db2.gz	CYZAXSVKMQLUTP-BRSBDYLESA-N	1	0	358.486	1.997	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N(C)C2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001107040954	900048881	/nfs/dbraw/zinc/04/88/81/900048881.db2.gz	UKTHPJALXDIWRQ-YZGWKJHDSA-N	1	0	367.493	1.591	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c(C)nsc2C)C[C@H]1C	ZINC001107048299	900129226	/nfs/dbraw/zinc/12/92/26/900129226.db2.gz	QJROAFJVXDKHOF-OSAQELSMSA-N	1	0	362.499	1.196	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@H]2OC)cc1	ZINC000944337312	900172530	/nfs/dbraw/zinc/17/25/30/900172530.db2.gz	OSHDXCMXWRXRAV-ATZDWAIDSA-N	1	0	369.465	1.108	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccoc2C(C)C)C[C@H]1C	ZINC001107057081	900239670	/nfs/dbraw/zinc/23/96/70/900239670.db2.gz	LNHSJFJNJDUWGV-BZUAXINKSA-N	1	0	359.470	1.839	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCc3ccccc32)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001107058580	900274094	/nfs/dbraw/zinc/27/40/94/900274094.db2.gz	PLZHQRNLXRNOJZ-QLVMHMETSA-N	1	0	368.481	1.214	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CCCN2CCCC2=O)[C@H](C)C1	ZINC001107062285	900442527	/nfs/dbraw/zinc/44/25/27/900442527.db2.gz	GYPKGTBLKSZBEC-IAGOWNOFSA-N	1	0	351.491	1.276	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2N(C)C)C[C@H]1C	ZINC001107074713	900526930	/nfs/dbraw/zinc/52/69/30/900526930.db2.gz	GXZLMFAZLQVDAC-HZPDHXFCSA-N	1	0	358.486	1.353	20	30		FDEDRO
C[C@H]1CN(C(=O)CO[NH+]=C(N)c2ccc(N3CCCCC3)cc2)CCO1	ZINC000072921482	900563522	/nfs/dbraw/zinc/56/35/22/900563522.db2.gz	PYFPBUNJSACRRW-HNNXBMFYSA-N	1	0	360.458	1.561	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001107082927	900620037	/nfs/dbraw/zinc/62/00/37/900620037.db2.gz	VWMOOEJAYKUIQQ-CZUORRHYSA-N	1	0	360.433	1.537	20	30		FDEDRO
C[NH+](C)CC1CCC(NC(=O)C(=O)NCc2cc(C#N)ccc2F)CC1	ZINC000804244299	901043612	/nfs/dbraw/zinc/04/36/12/901043612.db2.gz	ZXNWLASYQJBLSD-UHFFFAOYSA-N	1	0	360.433	1.550	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]cn2)[C@@H](n2ccnn2)C1	ZINC001129312628	901274828	/nfs/dbraw/zinc/27/48/28/901274828.db2.gz	JLRRBVGFYSCWBZ-OIISXLGYSA-N	1	0	357.462	1.188	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC/C=C\CC)C[C@@H]1n1ccnn1	ZINC001129312756	901277285	/nfs/dbraw/zinc/27/72/85/901277285.db2.gz	NPKGIPFQRWCNBS-XJRAYOOOSA-N	1	0	373.501	1.957	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CCN(c4cncc(C#N)n4)C3)C2)CC[N@@H+]1C	ZINC001064649741	901518137	/nfs/dbraw/zinc/51/81/37/901518137.db2.gz	IBWXGPLWEBRGPM-IDHHARJASA-N	1	0	354.458	1.117	20	30		FDEDRO
CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000272884191	901630826	/nfs/dbraw/zinc/63/08/26/901630826.db2.gz	YIHRZWVFJPOXEN-GOSISDBHSA-N	1	0	369.469	1.791	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(=O)[nH]c4ncn(C)c43)[C@@H]2C1	ZINC001084398639	914556025	/nfs/dbraw/zinc/55/60/25/914556025.db2.gz	JGRNPUBWFFYFKS-UKRRQHHQSA-N	1	0	355.442	1.786	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1CC[C@H]2CN(c3ncc(C#N)cc3F)C[C@H]21	ZINC001090327127	901704357	/nfs/dbraw/zinc/70/43/57/901704357.db2.gz	BHVFQAGNWBZNNA-DOTOQJQBSA-N	1	0	359.449	1.861	20	30		FDEDRO
CC[C@@H](C(=O)N1CC[C@H]2CN(c3ccc(C#N)nn3)C[C@H]21)[NH+](CC)CC	ZINC001090356155	901827894	/nfs/dbraw/zinc/82/78/94/901827894.db2.gz	UTKFFULTOWYTNE-BHYGNILZSA-N	1	0	356.474	1.506	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CCN(c2ncnc3c2cnn3C)CC1	ZINC001065108491	901865547	/nfs/dbraw/zinc/86/55/47/901865547.db2.gz	IRKLGCOVMXVTKS-HIFRSBDPSA-N	1	0	370.457	1.430	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2ccnc(C#N)n2)CC[N@@H+]1C	ZINC001065170825	901882648	/nfs/dbraw/zinc/88/26/48/901882648.db2.gz	FIEFAPPFQPXHPA-LTIDMASMSA-N	1	0	368.485	1.648	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2nccnc2C#N)CC[N@@H+]1C	ZINC001065170949	901883816	/nfs/dbraw/zinc/88/38/16/901883816.db2.gz	LOTMQMFSRACQKP-MUQADHOPSA-N	1	0	368.485	1.648	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cc(C)n(C)n2)C1	ZINC001079127011	901926913	/nfs/dbraw/zinc/92/69/13/901926913.db2.gz	GSPLDPCPJDCOAV-WOJBJXKFSA-N	1	0	368.481	1.992	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2[nH]c(C)nc2C)C1	ZINC001079142428	901949205	/nfs/dbraw/zinc/94/92/05/901949205.db2.gz	BDZRDHYUOQHYNP-RTBURBONSA-N	1	0	366.465	1.737	20	30		FDEDRO
CC#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2conc2CC)C1	ZINC001079142717	901950918	/nfs/dbraw/zinc/95/09/18/901950918.db2.gz	QFYRSPAMFGNFRH-WOJBJXKFSA-N	1	0	367.449	1.948	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccn(C)n2)C1	ZINC001079147362	901973178	/nfs/dbraw/zinc/97/31/78/901973178.db2.gz	LNGKPGLBOUNCTC-RTBURBONSA-N	1	0	352.438	1.131	20	30		FDEDRO
C#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1	ZINC001079134750	901998972	/nfs/dbraw/zinc/99/89/72/901998972.db2.gz	PLOHZBZZHIOWEH-NJDAHSKKSA-N	1	0	369.509	1.566	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC(=O)NC2)C1	ZINC001079137913	902013899	/nfs/dbraw/zinc/01/38/99/902013899.db2.gz	BSCPSINHWZMKBS-GUDVDZBRSA-N	1	0	371.481	1.163	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1c1cccc(F)c1	ZINC001079172337	902049162	/nfs/dbraw/zinc/04/91/62/902049162.db2.gz	WTPIAORFHZKMKG-ZWKOTPCHSA-N	1	0	357.433	1.968	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1c1cccc(F)c1	ZINC001079179363	902066192	/nfs/dbraw/zinc/06/61/92/902066192.db2.gz	WGMJIHBFESDFRB-BPQIPLTHSA-N	1	0	359.445	1.812	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COc2cnn(C)c2)CC[C@H]1c1ccc(F)cc1	ZINC001079157107	902076172	/nfs/dbraw/zinc/07/61/72/902076172.db2.gz	ZKHOEIWTZRXYOE-RBUKOAKNSA-N	1	0	370.428	1.546	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](NCC#N)C2)C1	ZINC001079161517	902086425	/nfs/dbraw/zinc/08/64/25/902086425.db2.gz	UOTLUTGNLKRFCY-ZYSHUDEJSA-N	1	0	358.461	1.965	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1c1cccc(F)c1	ZINC001079198500	902096815	/nfs/dbraw/zinc/09/68/15/902096815.db2.gz	DFXFFBAXEFOQID-FXUDXRNXSA-N	1	0	365.836	1.584	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2ncccn2)C[C@H]1c1cccc(F)c1	ZINC001079203775	902104723	/nfs/dbraw/zinc/10/47/23/902104723.db2.gz	NEOLQSPKWWFKOP-ZWKOTPCHSA-N	1	0	352.413	1.766	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CN2CCCCCC2=O)C[C@H]1c1cccc(F)c1	ZINC001079209985	902118987	/nfs/dbraw/zinc/11/89/87/902118987.db2.gz	RSTSUSLZWICRJG-RBUKOAKNSA-N	1	0	371.456	1.746	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@@H]4CCNC4=O)[C@@H]3C2)cc1	ZINC001084402492	914595463	/nfs/dbraw/zinc/59/54/63/914595463.db2.gz	OUHPNXKAFYLKEY-RCCFBDPRSA-N	1	0	352.438	1.117	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCN(C)C2=O)C[C@H]1c1cccc(F)c1	ZINC001079188774	902138927	/nfs/dbraw/zinc/13/89/27/902138927.db2.gz	QHBYISCBMGJPRT-BPQIPLTHSA-N	1	0	359.445	1.764	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(CN(C)C)on2)C[C@H]1c1cccc(F)c1	ZINC001079189431	902141387	/nfs/dbraw/zinc/14/13/87/902141387.db2.gz	OXLPXSCHVWUPOE-PKOBYXMFSA-N	1	0	370.428	1.706	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2CC)C[C@H]1c1cccc(F)c1	ZINC001079190510	902146363	/nfs/dbraw/zinc/14/63/63/902146363.db2.gz	WKENYFRYXLVZOS-ZWKOTPCHSA-N	1	0	354.429	1.953	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccnc3n[nH]nc32)C[C@H]1c1cccc(F)c1	ZINC001079191363	902148071	/nfs/dbraw/zinc/14/80/71/902148071.db2.gz	LRVUAOKMVWEZDJ-JKSUJKDBSA-N	1	0	364.384	1.323	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3nn[nH]c32)C[C@H]1c1cccc(F)c1	ZINC001079195100	902155801	/nfs/dbraw/zinc/15/58/01/902155801.db2.gz	CYONUBYRAXFVHI-XYJFISCASA-N	1	0	367.428	1.581	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)CCn3ccnn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079239460	902187030	/nfs/dbraw/zinc/18/70/30/902187030.db2.gz	VNDXGJRZBGBDTJ-DLBZAZTESA-N	1	0	359.474	1.184	20	30		FDEDRO
CC[C@@H](C[NH+]1CCC2(CN(C(=O)C#CC3CC3)[C@@H]3COC[C@@H]32)CC1)OC	ZINC001079240726	902190251	/nfs/dbraw/zinc/19/02/51/902190251.db2.gz	ACYYLWFBKZVMIE-GBESFXJTSA-N	1	0	360.498	1.764	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cn(C4CCC4)nn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079241924	902195435	/nfs/dbraw/zinc/19/54/35/902195435.db2.gz	JYUWTIDCYPEDEK-FUHWJXTLSA-N	1	0	371.485	1.742	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC2(CC[NH+](Cc3cncs3)CC2)[C@H]2COC[C@H]21	ZINC001079228447	902241993	/nfs/dbraw/zinc/24/19/93/902241993.db2.gz	MTIGETDQSYWWDL-CWRNSKLLSA-N	1	0	360.483	1.742	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)CCc3ccnn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079244915	902251037	/nfs/dbraw/zinc/25/10/37/902251037.db2.gz	MQPHUJRSFVZGLU-ZWKOTPCHSA-N	1	0	358.486	1.478	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cncc(COC)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079245809	902255781	/nfs/dbraw/zinc/25/57/81/902255781.db2.gz	ITAYSTIULPZYIF-RBUKOAKNSA-N	1	0	369.465	1.414	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC(=O)NC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079250239	902268579	/nfs/dbraw/zinc/26/85/79/902268579.db2.gz	UPTNRFDLDXMTIN-YESZJQIVSA-N	1	0	361.486	1.028	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cnn(C(C)(C)C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079250265	902269252	/nfs/dbraw/zinc/26/92/52/902269252.db2.gz	VWTHHBCCELYIAT-ZWKOTPCHSA-N	1	0	370.497	1.824	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)C[C@@H]3CC(C)(C)CO3)[C@@H]3COC[C@@H]32)CC1	ZINC001079251472	902273304	/nfs/dbraw/zinc/27/33/04/902273304.db2.gz	ZABJLXWSXYFWOS-FGTMMUONSA-N	1	0	360.498	1.764	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cc(OCC)no3)[C@@H]3COC[C@@H]32)CC1	ZINC001079252381	902274223	/nfs/dbraw/zinc/27/42/23/902274223.db2.gz	ISUNYFQMGNZAEI-LSDHHAIUSA-N	1	0	361.442	1.812	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC3(CC[NH+](CCCO)CC3)[C@H]3COC[C@H]32)cc1	ZINC001079254826	902282265	/nfs/dbraw/zinc/28/22/65/902282265.db2.gz	XUJMJHXRBVZUPK-VQTJNVASSA-N	1	0	368.477	1.603	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3csc(=O)[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079255896	902285209	/nfs/dbraw/zinc/28/52/09/902285209.db2.gz	RYCRRNCVVBBLMQ-DZGCQCFKSA-N	1	0	363.483	1.978	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3cnc(C)n3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079257861	902289088	/nfs/dbraw/zinc/28/90/88/902289088.db2.gz	AKBVMWOHRPLKAA-FUHWJXTLSA-N	1	0	358.486	1.858	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@H](C)Oc3cccnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079259464	902294684	/nfs/dbraw/zinc/29/46/84/902294684.db2.gz	BOLVINYPHUEJTO-YTQUADARSA-N	1	0	371.481	1.974	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)C[C@@H](C)n3ccnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079263866	902307341	/nfs/dbraw/zinc/30/73/41/902307341.db2.gz	PDZAEKWIVSHOOL-CEXWTWQISA-N	1	0	370.497	1.797	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)CCn3cccc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079267898	902317723	/nfs/dbraw/zinc/31/77/23/902317723.db2.gz	AOTMCJFWYNPLJV-RBUKOAKNSA-N	1	0	355.482	1.841	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3sccc3OC)[C@@H]3COC[C@@H]32)CC1	ZINC001079270420	902329838	/nfs/dbraw/zinc/32/98/38/902329838.db2.gz	RAYSDDAKPGAEPE-LSDHHAIUSA-N	1	0	360.479	1.943	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)Cc3csc(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079272380	902334996	/nfs/dbraw/zinc/33/49/96/902334996.db2.gz	LPCJRKQNFQFXBR-DLBZAZTESA-N	1	0	359.495	1.567	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3c[nH]c4ncccc34)[C@@H]3COC[C@@H]32)CC1	ZINC001079272054	902335193	/nfs/dbraw/zinc/33/51/93/902335193.db2.gz	AGBVOCSYMXTARV-ZWKOTPCHSA-N	1	0	364.449	1.749	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3c(Cl)cnn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079242418	902337824	/nfs/dbraw/zinc/33/78/24/902337824.db2.gz	YFMSUDNELWIYEB-DZGCQCFKSA-N	1	0	364.877	1.813	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCO[C@H]3C=C)[C@@H]3COC[C@@H]32)CC1	ZINC001079243179	902340920	/nfs/dbraw/zinc/34/09/20/902340920.db2.gz	QDLPDXQGARFMIH-HCXYKTFWSA-N	1	0	358.482	1.540	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cc(OC)no2)C(C)(C)C1	ZINC000995830145	902346633	/nfs/dbraw/zinc/34/66/33/902346633.db2.gz	FWJYJLSFIZPILQ-PMPSAXMXSA-N	1	0	363.458	1.991	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CC)C[C@H]1c1ccccc1F	ZINC001079317648	902416069	/nfs/dbraw/zinc/41/60/69/902416069.db2.gz	LXPRVIDSMWJMGP-VDZJLULYSA-N	1	0	371.456	1.744	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)C2)C[C@H]1c1ccccc1F	ZINC001079317896	902417493	/nfs/dbraw/zinc/41/74/93/902417493.db2.gz	VFRDGVPXAVGDOK-QILLFSRXSA-N	1	0	359.445	1.764	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCN(C(C)=O)C2)C[C@H]1c1ccccc1F	ZINC001079318020	902417640	/nfs/dbraw/zinc/41/76/40/902417640.db2.gz	YOGORLSWZSXUFQ-DSKINZAPSA-N	1	0	371.456	1.601	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C)C2)C[C@H]1c1ccccc1F	ZINC001079317897	902417647	/nfs/dbraw/zinc/41/76/47/902417647.db2.gz	VFRDGVPXAVGDOK-UWWQBHOKSA-N	1	0	359.445	1.764	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@H]1c1ccccc1F	ZINC001079304157	902435051	/nfs/dbraw/zinc/43/50/51/902435051.db2.gz	VSIFRJCIQCNBQO-XAUMDUMWSA-N	1	0	359.445	1.812	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2C)C[C@H]1c1ccccc1F	ZINC001079305248	902436395	/nfs/dbraw/zinc/43/63/95/902436395.db2.gz	SLSZJBFCKPKJMO-UWWQBHOKSA-N	1	0	359.445	1.907	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCC(=O)N2)C[C@H]1c1ccccc1F	ZINC001079309605	902443293	/nfs/dbraw/zinc/44/32/93/902443293.db2.gz	HXWBKOQBOWBQTB-CGTJXYLNSA-N	1	0	359.445	1.955	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCCOC3)C2)cc1C#N	ZINC001079481724	902625206	/nfs/dbraw/zinc/62/52/06/902625206.db2.gz	SJNYJZININQUPB-QGPMSJSTSA-N	1	0	357.454	1.930	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC=CC2)C3)CC1	ZINC000995954350	902777651	/nfs/dbraw/zinc/77/76/51/902777651.db2.gz	UTKFFGDJAJFDFB-QYZOEREBSA-N	1	0	355.482	1.546	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccccc3C#N)C(C)(C)C2)O1	ZINC000995960387	902794343	/nfs/dbraw/zinc/79/43/43/902794343.db2.gz	TUBQOICZXGNNOI-ATZDWAIDSA-N	1	0	370.497	1.604	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@@H]1CCNC(=O)C1	ZINC001079558920	902798806	/nfs/dbraw/zinc/79/88/06/902798806.db2.gz	PPXWNCAFIWALPM-QGPMSJSTSA-N	1	0	370.453	1.052	20	30		FDEDRO
C[NH+](C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(C#N)c[nH]2)C3)CCC1	ZINC000996010652	902893649	/nfs/dbraw/zinc/89/36/49/902893649.db2.gz	SKFJYEUNVWSXEM-YCPHGPKFSA-N	1	0	355.442	1.232	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)C1=CCOCC1	ZINC001079612565	902927334	/nfs/dbraw/zinc/92/73/34/902927334.db2.gz	VGIJOSIOWQASHZ-DNVCBOLYSA-N	1	0	355.438	1.872	20	30		FDEDRO
C[NH+](C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C#N)[nH]1)C2)C1CC1	ZINC000996110141	903114074	/nfs/dbraw/zinc/11/40/74/903114074.db2.gz	VJPSUHMBRRRHIR-BSWAZPDLSA-N	1	0	355.442	1.088	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)C[C@@H]1CCNC1=O	ZINC001079841585	903479135	/nfs/dbraw/zinc/47/91/35/903479135.db2.gz	VZDJCGXQWGKDMS-UWWQBHOKSA-N	1	0	370.453	1.052	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1cnc2n[nH]nc2c1	ZINC001079862919	903562349	/nfs/dbraw/zinc/56/23/49/903562349.db2.gz	OXSGRVXMJMLFNZ-SJKOYZFVSA-N	1	0	361.409	1.475	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1	ZINC000764130792	903669023	/nfs/dbraw/zinc/66/90/23/903669023.db2.gz	YFJAMIXJKRUAPJ-UHFFFAOYSA-N	1	0	357.501	1.135	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]2C)cc1	ZINC001079977812	903877715	/nfs/dbraw/zinc/87/77/15/903877715.db2.gz	KQTYHFFMCHLBDJ-VQIMIIECSA-N	1	0	371.481	1.924	20	30		FDEDRO
C=CCC[C@H](C)[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)nn2)C1	ZINC001107212129	903956175	/nfs/dbraw/zinc/95/61/75/903956175.db2.gz	PGPNEJGEBDIXTF-LIRZEXBASA-N	1	0	359.474	1.673	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C(F)F)CCC[C@@H]12	ZINC001107251627	904131393	/nfs/dbraw/zinc/13/13/93/904131393.db2.gz	MHNLTGLUBADKCZ-RDTXWAMCSA-N	1	0	355.429	1.813	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C(F)F)CCC[C@@H]12	ZINC001107253145	904140383	/nfs/dbraw/zinc/14/03/83/904140383.db2.gz	ZWHFVKZGWLBNSK-CXAGYDPISA-N	1	0	356.417	1.374	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CC3CC3)CCC[C@@H]12	ZINC001107253612	904145213	/nfs/dbraw/zinc/14/52/13/904145213.db2.gz	CAMNUKKLKCXVTE-YLJYHZDGSA-N	1	0	360.502	1.909	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCOC)CCC[C@@H]12	ZINC001107248143	904162273	/nfs/dbraw/zinc/16/22/73/904162273.db2.gz	FUAIFCNUNCVFFK-YLJYHZDGSA-N	1	0	365.518	1.808	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(F)c3)CCC[C@@H]12	ZINC001107264058	904208159	/nfs/dbraw/zinc/20/81/59/904208159.db2.gz	SIONZZPGGGINDB-YLJYHZDGSA-N	1	0	357.429	1.550	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)n3cccn3)CCC[C@@H]12	ZINC001107288461	904306545	/nfs/dbraw/zinc/30/65/45/904306545.db2.gz	OJNCBDHZEHGLTM-GPMSIDNRSA-N	1	0	359.474	1.107	20	30		FDEDRO
CCCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CSCC#N)CCC[C@@H]12	ZINC001107289592	904309593	/nfs/dbraw/zinc/30/95/93/904309593.db2.gz	GGDRMCMXDKVJCI-RHSMWYFYSA-N	1	0	352.504	1.130	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(C)n3)CCC[C@@H]12	ZINC001107284411	904329562	/nfs/dbraw/zinc/32/95/62/904329562.db2.gz	ZTVHKWQFKFWYRI-YLJYHZDGSA-N	1	0	356.470	1.667	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)OCCCC)CCC[C@@H]12	ZINC001107317773	904441111	/nfs/dbraw/zinc/44/11/11/904441111.db2.gz	ATCPLCLDDSOJPJ-MBOZVWFJSA-N	1	0	363.502	1.302	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@@H](O)CC(F)(F)F)CC2	ZINC001107330774	904462974	/nfs/dbraw/zinc/46/29/74/904462974.db2.gz	NMBKVYKIZIGLKX-SQWLQELKSA-N	1	0	364.408	1.863	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N[C@H](C)C1CC1)CC2	ZINC001107329050	904491696	/nfs/dbraw/zinc/49/16/96/904491696.db2.gz	GKEBMHYWLFQBSB-WRWLIDTKSA-N	1	0	363.502	1.465	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccc(C(N)=O)cc1)CC2	ZINC001107329155	904492869	/nfs/dbraw/zinc/49/28/69/904492869.db2.gz	KDRJYZNHKDCFMD-WIBUTAKZSA-N	1	0	354.454	1.806	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCOC[C@@H]1CCCO1)CC2	ZINC001107329367	904495010	/nfs/dbraw/zinc/49/50/10/904495010.db2.gz	RLZULEZTMSGJBE-NLWGTHIKSA-N	1	0	366.502	1.745	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCCCCC1)CC2	ZINC001107336903	904507054	/nfs/dbraw/zinc/50/70/54/904507054.db2.gz	RSELCZGKLUIBCB-SQGPQFPESA-N	1	0	360.502	1.909	20	30		FDEDRO
CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)C#N)CCC[C@@H]12	ZINC001107338739	904514871	/nfs/dbraw/zinc/51/48/71/904514871.db2.gz	WEZYZPNTHIQLJR-LZLYRXPVSA-N	1	0	369.531	1.720	20	30		FDEDRO
NC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC#Cc1ccc(F)cc1)CC2	ZINC001107344246	904516985	/nfs/dbraw/zinc/51/69/85/904516985.db2.gz	MCNNIJOLBYBKAX-YLJYHZDGSA-N	1	0	357.429	1.413	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccncc3F)CCC[C@@H]12	ZINC001107341364	904524747	/nfs/dbraw/zinc/52/47/47/904524747.db2.gz	LYYRNAUSSMLSPR-VQIMIIECSA-N	1	0	360.433	1.497	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3oc(C)nc3C)CCC[C@@H]12	ZINC001107347745	904547593	/nfs/dbraw/zinc/54/75/93/904547593.db2.gz	CTVHRXKWYQXXCY-DNVCBOLYSA-N	1	0	358.442	1.015	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C(F)=C3CCCC3)CCC[C@@H]12	ZINC001107359970	904586515	/nfs/dbraw/zinc/58/65/15/904586515.db2.gz	SKXVFXQBGABNKQ-DNVCBOLYSA-N	1	0	362.449	1.785	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)COC(C)(C)C)CCC[C@@H]12	ZINC001107372554	904601269	/nfs/dbraw/zinc/60/12/69/904601269.db2.gz	LESQEVHMTNIAQD-DNVCBOLYSA-N	1	0	351.491	1.465	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3=CCCCCC3)CCC[C@@H]12	ZINC001107374076	904604887	/nfs/dbraw/zinc/60/48/87/904604887.db2.gz	JAJGTURSRHYGET-YLJYHZDGSA-N	1	0	358.486	1.877	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cnnc(C)c3)CCC[C@@H]12	ZINC001107376332	904609293	/nfs/dbraw/zinc/60/92/93/904609293.db2.gz	HJKBCZNIXVGZDM-VQIMIIECSA-N	1	0	357.458	1.062	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(C)C)CC2	ZINC001107378800	904622111	/nfs/dbraw/zinc/62/21/11/904622111.db2.gz	NCKZXHFASSGLAA-AYOQOUSVSA-N	1	0	351.491	1.199	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCc2scnc2C)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC001081507460	904719865	/nfs/dbraw/zinc/71/98/65/904719865.db2.gz	XPPBPAJLKIHKKG-HUUCEWRRSA-N	1	0	359.455	1.323	20	30		FDEDRO
C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccc(OC)nc1)CC2	ZINC001107404910	904749744	/nfs/dbraw/zinc/74/97/44/904749744.db2.gz	VGLVRCFUNGWVDY-WIYYLYMNSA-N	1	0	371.481	1.991	20	30		FDEDRO
C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cc(C)n(C)n1)CC2	ZINC001107401778	904782149	/nfs/dbraw/zinc/78/21/49/904782149.db2.gz	CAGRMDNHSYKOLV-YVWKXTFCSA-N	1	0	358.486	1.628	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)NC(=O)COC)CCC[C@@H]12	ZINC001107417356	904786776	/nfs/dbraw/zinc/78/67/76/904786776.db2.gz	CYNJYYCFPNQQMN-JJRVBVJISA-N	1	0	357.882	1.251	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccn(C(F)F)n3)CCC[C@@H]12	ZINC001107419502	904801842	/nfs/dbraw/zinc/80/18/42/904801842.db2.gz	ZHMZZUDPUJJLDW-CRAIPNDOSA-N	1	0	366.412	1.902	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)N3C(=O)CCC3=O)CCC[C@@H]12	ZINC001107429281	904866428	/nfs/dbraw/zinc/86/64/28/904866428.db2.gz	FEQAPYHKMRSUTG-PMUMKWKESA-N	1	0	367.877	1.637	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](CC)CC(F)F)CCC[C@@H]12	ZINC001107433240	904888145	/nfs/dbraw/zinc/88/81/45/904888145.db2.gz	VUSZSUSYHUZRIN-SPYBWZPUSA-N	1	0	369.456	1.778	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccnc4ccnn43)CCC[C@@H]12	ZINC001107433963	904891953	/nfs/dbraw/zinc/89/19/53/904891953.db2.gz	JKQJDKBJWWKHAN-YLJYHZDGSA-N	1	0	367.453	1.354	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C(C)C	ZINC001081659277	904896134	/nfs/dbraw/zinc/89/61/34/904896134.db2.gz	USNPPLBFBXPASA-VAMGGRTRSA-N	1	0	370.497	1.746	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H](O)COC)CC2	ZINC001107436532	904903976	/nfs/dbraw/zinc/90/39/76/904903976.db2.gz	BTBTWSRXHVPFIB-ILZDJORESA-N	1	0	361.486	1.656	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cn([C@@H]3CCOC3)nc2C)[C@H](OC)C1	ZINC001081667328	904909150	/nfs/dbraw/zinc/90/91/50/904909150.db2.gz	WJJPESDITCPUGA-KBAYOESNSA-N	1	0	362.474	1.548	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3(COCC)CC3)CCC[C@@H]12	ZINC001107454714	905016657	/nfs/dbraw/zinc/01/66/57/905016657.db2.gz	KMHDGHAGRWITNW-VQIMIIECSA-N	1	0	363.502	1.466	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CCS(=O)(=O)C3)CCC[C@@H]12	ZINC001107464982	905031561	/nfs/dbraw/zinc/03/15/61/905031561.db2.gz	CEMMFRGVOSBVRX-LZLYRXPVSA-N	1	0	354.516	1.748	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3(F)CCCC3)CCC[C@@H]12	ZINC001107461165	905063226	/nfs/dbraw/zinc/06/32/26/905063226.db2.gz	ZTQPJOFOULBQNU-RHSMWYFYSA-N	1	0	350.438	1.269	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ncc4ccccn43)CCC[C@@H]12	ZINC001107469643	905084818	/nfs/dbraw/zinc/08/48/18/905084818.db2.gz	DCJYIZRMPZOPTD-WIYYLYMNSA-N	1	0	366.465	1.959	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3c(C)cncc3C)CCC[C@@H]12	ZINC001107469827	905086314	/nfs/dbraw/zinc/08/63/14/905086314.db2.gz	NRSIVEGKASWGQC-DYESRHJHSA-N	1	0	370.497	1.975	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CCC(=O)N3C)CCC[C@@H]12	ZINC001107494870	905198093	/nfs/dbraw/zinc/19/80/93/905198093.db2.gz	DFAFMWKQWHDJNE-MBOZVWFJSA-N	1	0	361.486	1.008	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC)CC2	ZINC001107488637	905210184	/nfs/dbraw/zinc/21/01/84/905210184.db2.gz	QRQISQRISHFNGW-AYOQOUSVSA-N	1	0	351.491	1.322	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)NC(=O)c3cccs3)CCC[C@@H]12	ZINC001107491547	905223975	/nfs/dbraw/zinc/22/39/75/905223975.db2.gz	FFICIGGEAHQYFM-IDHHARJASA-N	1	0	359.495	1.860	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCNS(C)(=O)=O)CC2	ZINC001107514674	905308920	/nfs/dbraw/zinc/30/89/20/905308920.db2.gz	QQBIOOYYCWWLFV-JFIYKMOQSA-N	1	0	371.547	1.499	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(N)=O)CC2	ZINC001107514634	905310841	/nfs/dbraw/zinc/31/08/41/905310841.db2.gz	PBSSGBMENFPEDO-HBUWYVDXSA-N	1	0	350.463	1.144	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cnc3ccccc3c2O)[C@H](OC)C1	ZINC001081889092	905319319	/nfs/dbraw/zinc/31/93/19/905319319.db2.gz	NDWLQDSRQCGVRC-QZTJIDSGSA-N	1	0	355.438	1.923	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)c3ccc(F)cc3)C[C@H]2C)c1	ZINC001080410543	905375751	/nfs/dbraw/zinc/37/57/51/905375751.db2.gz	GXICYUNVHICUPM-XMCHAPAWSA-N	1	0	367.424	1.986	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[N@H+](C)CC(C)(C)C)C1	ZINC001080564267	905699682	/nfs/dbraw/zinc/69/96/82/905699682.db2.gz	RNBDZHAWAIVJDV-SJORKVTESA-N	1	0	365.518	1.615	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3coc(COC)n3)CCC[C@@H]12	ZINC001107589730	905810200	/nfs/dbraw/zinc/81/02/00/905810200.db2.gz	OQIIBEJKLLTORG-VQIMIIECSA-N	1	0	361.442	1.445	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)CCC[C@@H]12	ZINC001107586443	905835746	/nfs/dbraw/zinc/83/57/46/905835746.db2.gz	XYRVUJYANTXOTK-DNVCBOLYSA-N	1	0	358.442	1.123	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)CCOC)CCC[C@@H]12	ZINC001107594099	905881163	/nfs/dbraw/zinc/88/11/63/905881163.db2.gz	FOTHNLKZODCLDQ-OXQOHEQNSA-N	1	0	363.502	1.159	20	30		FDEDRO
C=C(Br)CN1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@H](OC)C1	ZINC001082133706	905932249	/nfs/dbraw/zinc/93/22/49/905932249.db2.gz	NAHXKHLJZQQSNB-MGPQQGTHSA-N	1	0	360.296	1.195	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1	ZINC001082135094	905941404	/nfs/dbraw/zinc/94/14/04/905941404.db2.gz	OJQZEDNJNFYMEC-KBRIMQKVSA-N	1	0	362.499	1.277	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](NC(C)=O)C(C)C)CCC[C@@H]12	ZINC001107613982	905991341	/nfs/dbraw/zinc/99/13/41/905991341.db2.gz	JGSHNOHPTJHOEW-QWFCFKBJSA-N	1	0	363.502	1.158	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=NOCCn2cnc3ccccc3c2=O)cc1	ZINC000764938160	906017814	/nfs/dbraw/zinc/01/78/14/906017814.db2.gz	ZPGSHPNFCUFCCY-UHFFFAOYSA-N	1	0	365.437	1.795	20	30		FDEDRO
COc1ncc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)cn1	ZINC001080712212	906031597	/nfs/dbraw/zinc/03/15/97/906031597.db2.gz	XHMDHMDDFKYSMB-CXAGYDPISA-N	1	0	351.410	1.607	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)Cn3c(=O)oc4ccccc43)CCC[C@@H]12	ZINC001107628824	906107892	/nfs/dbraw/zinc/10/78/92/906107892.db2.gz	GFKQCOOMHBMCBJ-YLJYHZDGSA-N	1	0	353.422	1.589	20	30		FDEDRO
CCn1cccc1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107633548	906152807	/nfs/dbraw/zinc/15/28/07/906152807.db2.gz	XFPMYGBSSDGGFM-VQIMIIECSA-N	1	0	357.458	1.122	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cnn(-c3ccccn3)c2)[C@H](OC)C1	ZINC001082196669	906162104	/nfs/dbraw/zinc/16/21/04/906162104.db2.gz	XWASOHFJPPOAQC-IAGOWNOFSA-N	1	0	355.442	1.663	20	30		FDEDRO
COC[C@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)CC#Cc3ccccc3)CCC[C@@H]12	ZINC001107640752	906199588	/nfs/dbraw/zinc/19/95/88/906199588.db2.gz	IHMQTRHIXUJIOA-KCZVDYSFSA-N	1	0	370.493	1.796	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)CCS(=O)(=O)N(C)C)CCC[C@@H]12	ZINC001107640847	906202695	/nfs/dbraw/zinc/20/26/95/906202695.db2.gz	MUGZXDUGYVTRAS-NVXWUHKLSA-N	1	0	357.520	1.205	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCC3(F)F)C[C@H]2O)c1	ZINC001077650152	906236990	/nfs/dbraw/zinc/23/69/90/906236990.db2.gz	VMQCRDBIPOBXOL-BRWVUGGUSA-N	1	0	363.408	1.663	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1C	ZINC001080805254	906284312	/nfs/dbraw/zinc/28/43/12/906284312.db2.gz	IXLCGGLIXBUGRI-CRAIPNDOSA-N	1	0	367.453	1.120	20	30		FDEDRO
COCCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)cn1	ZINC001080860561	906477628	/nfs/dbraw/zinc/47/76/28/906477628.db2.gz	PVRRXOMBMCMJKD-DNVCBOLYSA-N	1	0	367.453	1.651	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCC(F)(F)C3)C[C@H]2OC)nc1	ZINC001082333738	906827356	/nfs/dbraw/zinc/82/73/56/906827356.db2.gz	XBTJRLYBERKWCQ-USXIJHARSA-N	1	0	363.408	1.927	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N[C@@H]2C[N@H+]([C@@H](CC)C(N)=O)C[C@H]2C)cc1	ZINC001081011236	906942445	/nfs/dbraw/zinc/94/24/45/906942445.db2.gz	OMYMALJBPPAYDR-OLMNPRSZSA-N	1	0	359.470	1.494	20	30		FDEDRO
C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C)N1CCCCC1=O	ZINC001080987122	906951958	/nfs/dbraw/zinc/95/19/58/906951958.db2.gz	NWMYUZCXXCAKNC-GPMSIDNRSA-N	1	0	368.481	1.896	20	30		FDEDRO
CCn1nc(C)c(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)n1	ZINC001081052126	907112693	/nfs/dbraw/zinc/11/26/93/907112693.db2.gz	ACNMFRBOQJCAGN-CXAGYDPISA-N	1	0	352.442	1.728	20	30		FDEDRO
COc1nccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2c2ccccc2)n1	ZINC001081099452	907126832	/nfs/dbraw/zinc/12/68/32/907126832.db2.gz	XXJYRJUFIMVBLY-JCGIZDLHSA-N	1	0	365.437	1.729	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccnc3c2CC(=O)N3)C[C@H]1c1ccccc1	ZINC001081140252	907245941	/nfs/dbraw/zinc/24/59/41/907245941.db2.gz	QJZLAUPPHVIUKU-ZWKOTPCHSA-N	1	0	360.417	1.407	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)nn2)C[C@H]1c1ccccc1	ZINC001081215982	907324305	/nfs/dbraw/zinc/32/43/05/907324305.db2.gz	XYIMGUXLSIVURN-FUHWJXTLSA-N	1	0	351.454	1.926	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCS(=O)(=O)C2)C[C@H]1c1ccccc1	ZINC001081190452	907366153	/nfs/dbraw/zinc/36/61/53/907366153.db2.gz	CXBORCWNDUACRH-FGTMMUONSA-N	1	0	362.495	1.581	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](OC)C1	ZINC001082384701	907395278	/nfs/dbraw/zinc/39/52/78/907395278.db2.gz	IDWZRAXCVLVAPL-IAGOWNOFSA-N	1	0	351.878	1.930	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1C	ZINC001082415520	907644109	/nfs/dbraw/zinc/64/41/09/907644109.db2.gz	JZJQWMOEVIGHKO-RDTXWAMCSA-N	1	0	366.421	1.451	20	30		FDEDRO
C=CCn1c([C@H]2CCO[C@H]2C)nnc1N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1	ZINC000842938809	907653490	/nfs/dbraw/zinc/65/34/90/907653490.db2.gz	LPOLAHHKTMRWQX-YVSFHVDLSA-N	1	0	363.506	1.902	20	30		FDEDRO
Cc1nn(C)cc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1	ZINC001082451584	907732270	/nfs/dbraw/zinc/73/22/70/907732270.db2.gz	JPRFMQCHVPPVDJ-AUUYWEPGSA-N	1	0	367.453	1.881	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCc3ccccc3C2)C1	ZINC001082448162	907812405	/nfs/dbraw/zinc/81/24/05/907812405.db2.gz	GLBQRPIXZOLJCD-IIDMSEBBSA-N	1	0	354.454	1.167	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csc(-c3cnn(C)c3)n2)C1	ZINC001082448473	907812672	/nfs/dbraw/zinc/81/26/72/907812672.db2.gz	RJAKBBHQFFNTNN-YWPYICTPSA-N	1	0	358.471	1.640	20	30		FDEDRO
Cc1nc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)c[nH]1	ZINC001082449098	907817913	/nfs/dbraw/zinc/81/79/13/907817913.db2.gz	FIFINZBDSBBTIT-FZKQIMNGSA-N	1	0	353.426	1.871	20	30		FDEDRO
COc1ncc(C[NH2+][C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)c(C)n1	ZINC001082464077	907896344	/nfs/dbraw/zinc/89/63/44/907896344.db2.gz	ASHVWDGXHITFCX-BDJLRTHQSA-N	1	0	354.414	1.244	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1	ZINC001082464451	907898375	/nfs/dbraw/zinc/89/83/75/907898375.db2.gz	PLQQQMNXKNOZLM-SJKOYZFVSA-N	1	0	351.410	1.236	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2nnc[nH]2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082465586	907901218	/nfs/dbraw/zinc/90/12/18/907901218.db2.gz	CMFFDYDYOYGTBF-MLGOLLRUSA-N	1	0	356.405	1.385	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1[NH2+]CC(=O)N1CCC(C)CC1	ZINC001082483617	907906765	/nfs/dbraw/zinc/90/67/65/907906765.db2.gz	ULTDIEDMWISREW-RHSMWYFYSA-N	1	0	357.458	1.195	20	30		FDEDRO
COc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3F)C2)on1	ZINC001082484387	907909875	/nfs/dbraw/zinc/90/98/75/907909875.db2.gz	CJIMTVVKJSNVBN-IAQYHMDHSA-N	1	0	358.373	1.944	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]C[C@H]1COc2ccccc2O1	ZINC001082480213	907947894	/nfs/dbraw/zinc/94/78/94/907947894.db2.gz	NXBLIDOLNGTBQP-UKPHBRMFSA-N	1	0	366.421	1.776	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+][C@@H]1CCN(C2CCC2)C1=O	ZINC001082480316	907949224	/nfs/dbraw/zinc/94/92/24/907949224.db2.gz	YEUUUAYVQIPPRC-CSMYWGQOSA-N	1	0	355.442	1.090	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082485958	907976185	/nfs/dbraw/zinc/97/61/85/907976185.db2.gz	NQKMZBYSCFPRJT-BDJLRTHQSA-N	1	0	356.405	1.263	20	30		FDEDRO
C#CC1(O)CCN(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)CC1	ZINC000823116975	921375752	/nfs/dbraw/zinc/37/57/52/921375752.db2.gz	PEZGMBDCSTWWEZ-UHFFFAOYSA-N	1	0	356.470	1.821	20	30		FDEDRO
Cc1c(-c2cc(C[NH2+][C@@H]3CN(C(=O)C#CC4CC4)C[C@H]3C)on2)cnn1C	ZINC001082504908	908117939	/nfs/dbraw/zinc/11/79/39/908117939.db2.gz	SDSSBMFQSADHOM-BFUOFWGJSA-N	1	0	367.453	1.733	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082506489	908133729	/nfs/dbraw/zinc/13/37/29/908133729.db2.gz	JNVFUASRKZGRNK-FZKQIMNGSA-N	1	0	355.417	1.610	20	30		FDEDRO
C[C@@H]1CN(C(=O)CO[C@H]2CCOC2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082507795	908148389	/nfs/dbraw/zinc/14/83/89/908148389.db2.gz	FLLLVVVNLNHXNB-RPVQJOFSSA-N	1	0	361.417	1.439	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCc2cnn(C)c2)CC1	ZINC000997308845	908228316	/nfs/dbraw/zinc/22/83/16/908228316.db2.gz	KIVOJBPOEQJWDR-LZQZEXGQSA-N	1	0	360.502	1.770	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccoc2)CC1	ZINC000997356136	908311882	/nfs/dbraw/zinc/31/18/82/908311882.db2.gz	ABIIKIQFHBNTOC-SQNIBIBYSA-N	1	0	355.438	1.487	20	30		FDEDRO
C=CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1	ZINC001107951880	908367119	/nfs/dbraw/zinc/36/71/19/908367119.db2.gz	VTEIECNMMZTKNK-HBFSDRIKSA-N	1	0	365.518	1.126	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1)N1C(=O)CCC1=O	ZINC001082543943	908428840	/nfs/dbraw/zinc/42/88/40/908428840.db2.gz	YZGXLDVFAVRFSH-JKIFEVAISA-N	1	0	368.437	1.032	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CN(Cc3cccc(C#N)c3)CCO2)CC[N@@H+]1C	ZINC001107954200	908481593	/nfs/dbraw/zinc/48/15/93/908481593.db2.gz	KADZTPKSLTVGFU-BSIFCXSSSA-N	1	0	370.497	1.606	20	30		FDEDRO
CCn1nnc(C)c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1	ZINC001082555053	908551155	/nfs/dbraw/zinc/55/11/55/908551155.db2.gz	PZEBTVZAUICAEG-SJKOYZFVSA-N	1	0	370.432	1.868	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn3ncccc23)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082564319	908665168	/nfs/dbraw/zinc/66/51/68/908665168.db2.gz	LCFIEDBJNHEIQT-RDTXWAMCSA-N	1	0	360.421	1.851	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2N(C)C)C1	ZINC001082567799	908701795	/nfs/dbraw/zinc/70/17/95/908701795.db2.gz	BZUOZNIWILLJPC-QFUCXCTJSA-N	1	0	368.525	1.787	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(F)c2)C1	ZINC001082568090	908706022	/nfs/dbraw/zinc/70/60/22/908706022.db2.gz	XAEXAEMNSQBHAF-ZMYBRWDISA-N	1	0	361.436	1.999	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082569238	908716682	/nfs/dbraw/zinc/71/66/82/908716682.db2.gz	UZRQODFHTBKFHX-SJKOYZFVSA-N	1	0	369.400	1.041	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCN(C)C2=O)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082580955	908783816	/nfs/dbraw/zinc/78/38/16/908783816.db2.gz	OBDDOCSJUONJPY-ZTFGCOKTSA-N	1	0	354.454	1.363	20	30		FDEDRO
Cc1ncn(C)c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1	ZINC001082575581	908829325	/nfs/dbraw/zinc/82/93/25/908829325.db2.gz	OENQEVGVMXAOOE-SJKOYZFVSA-N	1	0	355.417	1.990	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)N2CCN(c3ccccc3C#N)CC2)C1	ZINC000265625854	908902739	/nfs/dbraw/zinc/90/27/39/908902739.db2.gz	QWUKARBPMKUTJC-KRWDZBQOSA-N	1	0	357.458	1.111	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1)S(C)(=O)=O	ZINC001082597961	908946938	/nfs/dbraw/zinc/94/69/38/908946938.db2.gz	VAPJUAVLYWVNDI-BFQNTYOBSA-N	1	0	367.446	1.067	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cncc3C2)C[C@H]1C	ZINC001082601359	908968934	/nfs/dbraw/zinc/96/89/34/908968934.db2.gz	XXPRFVWBQKCNKA-UXIGCNINSA-N	1	0	367.291	1.791	20	30		FDEDRO
C#CCCS(=O)(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1	ZINC000921634540	909042708	/nfs/dbraw/zinc/04/27/08/909042708.db2.gz	WEJWBJOSDVDMIF-UHFFFAOYSA-N	1	0	350.484	1.610	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(CCOC)c2)C[C@H]1C	ZINC001082615552	909058880	/nfs/dbraw/zinc/05/88/80/909058880.db2.gz	MPUDQJBXMODFMO-IUODEOHRSA-N	1	0	353.850	1.297	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn3c2OCCC3)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082618474	909088344	/nfs/dbraw/zinc/08/83/44/909088344.db2.gz	MDUFDKGGDFPSSP-MLGOLLRUSA-N	1	0	371.466	1.849	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(CC)C2)[C@H](OC)C1	ZINC001212357724	909102211	/nfs/dbraw/zinc/10/22/11/909102211.db2.gz	UCYRAXINEVCSOS-BRWVUGGUSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cccc(COC)c3)C[C@H]2C)C1=O	ZINC001082624013	909147512	/nfs/dbraw/zinc/14/75/12/909147512.db2.gz	BZTVXHOVIUNMOC-ATZDWAIDSA-N	1	0	371.481	1.670	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ccc(OCC(N)=O)cc2)C[C@H]1C	ZINC001082629179	909164595	/nfs/dbraw/zinc/16/45/95/909164595.db2.gz	UTOXYYGBYBITCH-IAQYHMDHSA-N	1	0	351.834	1.353	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccnc3n[nH]nc32)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082634748	909219622	/nfs/dbraw/zinc/21/96/22/909219622.db2.gz	CBGHQANZWMYXSB-MLGOLLRUSA-N	1	0	361.409	1.475	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ncc(Cl)s3)C[C@H]2C)C1=O	ZINC001082641927	909277246	/nfs/dbraw/zinc/27/72/46/909277246.db2.gz	XXXJATGKJRUBGR-GRYCIOLGSA-N	1	0	368.890	1.634	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082652680	909362670	/nfs/dbraw/zinc/36/26/70/909362670.db2.gz	OVNTYXOVTPJQKI-MLGOLLRUSA-N	1	0	369.400	1.041	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc(C)c(C)cn3)C[C@H]2C)C1=O	ZINC001082656187	909410973	/nfs/dbraw/zinc/41/09/73/909410973.db2.gz	DNBXNFVNBAJDJD-SOLBZPMBSA-N	1	0	356.470	1.535	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)CC2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082665275	909451788	/nfs/dbraw/zinc/45/17/88/909451788.db2.gz	FZXYEFZADBVOFP-DVOMOZLQSA-N	1	0	360.483	1.473	20	30		FDEDRO
COc1nc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)co1	ZINC001082667148	909466219	/nfs/dbraw/zinc/46/62/19/909466219.db2.gz	CMTVVELIQPOLOV-CZUORRHYSA-N	1	0	370.409	1.836	20	30		FDEDRO
COc1nc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)co1	ZINC001082667279	909467810	/nfs/dbraw/zinc/46/78/10/909467810.db2.gz	MWKWBVAOGVNGBX-IAQYHMDHSA-N	1	0	358.373	1.944	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccn3nnnc3c2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082681295	909594762	/nfs/dbraw/zinc/59/47/62/909594762.db2.gz	IPJNRQMJIGHYSR-CXAGYDPISA-N	1	0	361.409	1.246	20	30		FDEDRO
CC(C)N1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)C1	ZINC001082703462	909699163	/nfs/dbraw/zinc/69/91/63/909699163.db2.gz	VTXLGHNHKPOLSQ-AHRSYUTCSA-N	1	0	370.497	1.604	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@]3(F)CCOC3)C[C@H]2C)cc1C#N	ZINC001082703560	909700976	/nfs/dbraw/zinc/70/09/76/909700976.db2.gz	BLHLNWJTAYYFIH-NRXGSXMXSA-N	1	0	361.417	1.632	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccoc2CC(N)=O)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082708488	909745196	/nfs/dbraw/zinc/74/51/96/909745196.db2.gz	VBVNLSKQOLNSGN-CXAGYDPISA-N	1	0	366.421	1.429	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@]3(C)CCNC3=O)C[C@H]2C)cc1C#N	ZINC001082737560	909913814	/nfs/dbraw/zinc/91/38/14/909913814.db2.gz	DRNMXKIAZZROII-OWDMVUQNSA-N	1	0	370.453	1.030	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccc4c(c3)CCO4)C[C@H]2C)C1=O	ZINC001082758654	910026311	/nfs/dbraw/zinc/02/63/11/910026311.db2.gz	JKSLXRHPBKLCII-ZTFGCOKTSA-N	1	0	369.465	1.459	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccc(C)cc3F)C[C@H]2C)C1=O	ZINC001082761978	910043395	/nfs/dbraw/zinc/04/33/95/910043395.db2.gz	ZSURJOKHGPKVSS-FHLIZLRMSA-N	1	0	359.445	1.971	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CCC[N@H+](CC(=O)NC)CC1	ZINC000998005053	910153178	/nfs/dbraw/zinc/15/31/78/910153178.db2.gz	FDERWZKRGWPGBC-BBWFWOEESA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)Cc3ccsc3C)C[C@H]2C)C1=O	ZINC001082786161	910159477	/nfs/dbraw/zinc/15/94/77/910159477.db2.gz	XIBIHEXOJQPZBU-KBRIMQKVSA-N	1	0	361.511	1.822	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(OC)n3)C2)nn1	ZINC001082796079	910184720	/nfs/dbraw/zinc/18/47/20/910184720.db2.gz	RPQCTMDWAWYTFA-GDBMZVCRSA-N	1	0	370.457	1.508	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3nc(C)c[nH]3)C[C@H]2C)cc1C#N	ZINC001082793993	910204617	/nfs/dbraw/zinc/20/46/17/910204617.db2.gz	PLMFJACTBNQFGQ-MLGOLLRUSA-N	1	0	353.426	1.849	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2nc(C)nc2C)C1	ZINC001082798627	910215160	/nfs/dbraw/zinc/21/51/60/910215160.db2.gz	DKAXRUHPVQBNGH-RNJTYBCJSA-N	1	0	361.490	1.313	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]CC1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1	ZINC000998083195	910313501	/nfs/dbraw/zinc/31/35/01/910313501.db2.gz	GVVKLBNRORDVPO-SJORKVTESA-N	1	0	370.453	1.016	20	30		FDEDRO
Cc1cc(=O)c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)c[nH]1	ZINC001082838747	910376244	/nfs/dbraw/zinc/37/62/44/910376244.db2.gz	OCLTXRHBEONNIP-FZKQIMNGSA-N	1	0	350.422	1.805	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2C)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082891569	910678818	/nfs/dbraw/zinc/67/88/18/910678818.db2.gz	NJUTWDNSTRJLNS-ZTFGCOKTSA-N	1	0	354.454	1.506	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]2OC)CCOCC1	ZINC001212395245	910727723	/nfs/dbraw/zinc/72/77/23/910727723.db2.gz	CFQSIZMSTMZSPC-QZTJIDSGSA-N	1	0	364.486	1.049	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CNC(=S)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000727290195	910747311	/nfs/dbraw/zinc/74/73/11/910747311.db2.gz	RFXHPWJIAXPYJF-QGZVFWFLSA-N	1	0	372.542	1.870	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](CC)OC)C[C@H]2OC)CCOCC1	ZINC001212395766	910747462	/nfs/dbraw/zinc/74/74/62/910747462.db2.gz	MQUUCVBAYLMMBQ-BRWVUGGUSA-N	1	0	352.475	1.047	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)Cc2c(C)n[nH]c2C)C[C@H]1C	ZINC001082915562	910893067	/nfs/dbraw/zinc/89/30/67/910893067.db2.gz	DYJBEBNTNOQISC-YMTOWFKASA-N	1	0	355.280	1.914	20	30		FDEDRO
Cc1csc(=O)n1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001082915879	910898644	/nfs/dbraw/zinc/89/86/44/910898644.db2.gz	ZSOCZNYHMFIOHJ-CXAGYDPISA-N	1	0	370.478	1.727	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1C	ZINC001082923878	910938853	/nfs/dbraw/zinc/93/88/53/910938853.db2.gz	AXUOPGJMVVIPDR-PRHODGIISA-N	1	0	355.236	1.072	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCN2CCCC2=O)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082928091	910965391	/nfs/dbraw/zinc/96/53/91/910965391.db2.gz	PQIDUJZZDRDGPS-CRAIPNDOSA-N	1	0	354.454	1.507	20	30		FDEDRO
C[C@@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)C1=CC[N@H+](C)CC1	ZINC000273058792	911008101	/nfs/dbraw/zinc/00/81/01/911008101.db2.gz	YEHCHEYEBYKTQD-LSDHHAIUSA-N	1	0	369.473	1.219	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccc(CF)cc3)C[C@H]2C)C1=O	ZINC001082950943	911072513	/nfs/dbraw/zinc/07/25/13/911072513.db2.gz	QWOWFXHQTXJBHY-ZTFGCOKTSA-N	1	0	359.445	1.993	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccc(F)s3)C[C@H]2C)C1=O	ZINC001082956362	911115657	/nfs/dbraw/zinc/11/56/57/911115657.db2.gz	VHWHPJVRCNIHDV-JHJVBQTASA-N	1	0	351.447	1.724	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(N)=O)nc2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082958288	911144501	/nfs/dbraw/zinc/14/45/01/911144501.db2.gz	TXQUXOUUWMFEJV-FZKQIMNGSA-N	1	0	363.421	1.302	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2	ZINC000998654649	911397778	/nfs/dbraw/zinc/39/77/78/911397778.db2.gz	FYEKMJUEEKQKBJ-ZBRFXRBCSA-N	1	0	373.497	1.312	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C2CC2)[NH+](C)C)nc1	ZINC000998952121	911903235	/nfs/dbraw/zinc/90/32/35/911903235.db2.gz	KUDSMNKTYOHDKQ-BVBHFADKSA-N	1	0	366.465	1.265	20	30		FDEDRO
C=C(Br)C[NH2+]C1CC(N(C)C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1	ZINC000998987984	911953213	/nfs/dbraw/zinc/95/32/13/911953213.db2.gz	QEDOKOXEQLSKPP-BLYZHGLHSA-N	1	0	360.296	1.193	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(F)cc4ccncc43)[C@H]2C1	ZINC001083084567	911955077	/nfs/dbraw/zinc/95/50/77/911955077.db2.gz	VJGIPSYIGUJWQU-RBUKOAKNSA-N	1	0	353.397	1.922	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3COc4ccccc4O3)[C@H]2C1	ZINC001083095203	911987749	/nfs/dbraw/zinc/98/77/49/911987749.db2.gz	UCLGJLHICOTPNO-JTDSTZFVSA-N	1	0	358.438	1.704	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+]2CCCC2)cc1	ZINC000999078490	912029849	/nfs/dbraw/zinc/02/98/49/912029849.db2.gz	MLMBFNRSPUPSTF-QYZOEREBSA-N	1	0	351.450	1.625	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3ccc(NC(C)=O)cc3)[C@H]2C1	ZINC001083134017	912080570	/nfs/dbraw/zinc/08/05/70/912080570.db2.gz	CGRIZAFEMCMASS-RBUKOAKNSA-N	1	0	355.438	1.122	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)CCc3ccc(OC)nc3)[C@H]2C1	ZINC001083140311	912148820	/nfs/dbraw/zinc/14/88/20/912148820.db2.gz	YFKIITPNKKGYQE-ZWKOTPCHSA-N	1	0	359.470	1.901	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4c(c3)CCC(=O)N4)[C@H]2C1	ZINC001083137110	912186084	/nfs/dbraw/zinc/18/60/84/912186084.db2.gz	IEQLKIQKGYFOLM-ZWKOTPCHSA-N	1	0	355.438	1.673	20	30		FDEDRO
CN1C(=O)CC[C@@H]1C(=O)N1C[C@H]2CCN(Cc3ccc(C#N)s3)C[C@H]21	ZINC001084601482	915534964	/nfs/dbraw/zinc/53/49/64/915534964.db2.gz	DGCHYANBASXELT-DAXOMENPSA-N	1	0	358.467	1.273	20	30		FDEDRO
C[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4ccccc4C#N)C[C@H]32)CC1	ZINC001084629032	915748871	/nfs/dbraw/zinc/74/88/71/915748871.db2.gz	AQCIARUDHNHCTQ-WOJBJXKFSA-N	1	0	352.482	1.933	20	30		FDEDRO
C=C(Br)CN1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1	ZINC001084629109	915749179	/nfs/dbraw/zinc/74/91/79/915749179.db2.gz	FYCTWUXGWBRDLT-HUUCEWRRSA-N	1	0	356.308	1.770	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)OC)CC1	ZINC000729973761	915888193	/nfs/dbraw/zinc/88/81/93/915888193.db2.gz	DYJZUDDTWVSNSX-KRWDZBQOSA-N	1	0	360.429	1.619	20	30		FDEDRO
C=CCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1	ZINC000730139515	916182824	/nfs/dbraw/zinc/18/28/24/916182824.db2.gz	BZCNPQKTPNMWAZ-HNNXBMFYSA-N	1	0	360.483	1.872	20	30		FDEDRO
CON=Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1	ZINC000730218784	916324815	/nfs/dbraw/zinc/32/48/15/916324815.db2.gz	PSNAAKPHABZGLA-KRWDZBQOSA-N	1	0	358.442	1.221	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@H]3CC[N@H+](C[C@@H]4CCCOC4)C[C@H]32)nn1	ZINC001084713079	916448960	/nfs/dbraw/zinc/44/89/60/916448960.db2.gz	JGNUSKRRUWPTBW-LZLYRXPVSA-N	1	0	359.474	1.427	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CCN(Cc4ccc(C#N)s4)C[C@H]32)C1	ZINC001084773420	917026295	/nfs/dbraw/zinc/02/62/95/917026295.db2.gz	OZTJMMFQJRUJHN-IIDMSEBBSA-N	1	0	358.511	1.994	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](CCn4nc(C)nc4C)C[C@H]32)cn1	ZINC001084784238	917092831	/nfs/dbraw/zinc/09/28/31/917092831.db2.gz	GVKAVZTUYBVICQ-IEBWSBKVSA-N	1	0	364.453	1.118	20	30		FDEDRO
Cn1cncc1CCC(=O)N1C[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001084805716	917234332	/nfs/dbraw/zinc/23/43/32/917234332.db2.gz	BLOREBNRXBRIRM-UYAOXDASSA-N	1	0	363.465	1.957	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4nc(C)c(C)o4)C[C@H]32)CC1	ZINC001084850950	917656601	/nfs/dbraw/zinc/65/66/01/917656601.db2.gz	FRWJBNXASCDXAS-RTBURBONSA-N	1	0	370.497	1.669	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ccccn4)C[C@@H]32)C1=O	ZINC001084879695	917943422	/nfs/dbraw/zinc/94/34/22/917943422.db2.gz	MQNATRQHFOHGBL-JQHSSLGASA-N	1	0	354.454	1.405	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)CCc4nnc[nH]4)C[C@@H]32)c1	ZINC001084915406	918284122	/nfs/dbraw/zinc/28/41/22/918284122.db2.gz	YKKGRMDLEXQXJW-MSOLQXFVSA-N	1	0	364.453	1.732	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]32)C1=O	ZINC001084925569	918359599	/nfs/dbraw/zinc/35/95/99/918359599.db2.gz	HZTBUEZJZGORNK-QGTPRVQTSA-N	1	0	367.453	1.210	20	30		FDEDRO
CN(C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]21)C1CC1	ZINC001084922125	918369107	/nfs/dbraw/zinc/36/91/07/918369107.db2.gz	MXCRBUQAJXLDOO-DYVFJYSZSA-N	1	0	355.442	1.044	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4COC(=O)N4)C[C@@H]32)c1	ZINC001084931758	918475433	/nfs/dbraw/zinc/47/54/33/918475433.db2.gz	ONIAADQTUVZQEZ-ZACQAIPSSA-N	1	0	354.410	1.089	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc4c(c3)NC(=O)C4)C[C@@H]21	ZINC001084960850	918903641	/nfs/dbraw/zinc/90/36/41/918903641.db2.gz	SCIIBMBZZWHQMV-APWZRJJASA-N	1	0	351.450	1.670	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3oc(C)nc3C)[C@H]2C1	ZINC001084961038	918906793	/nfs/dbraw/zinc/90/67/93/918906793.db2.gz	HKQDZAUAZDODAP-QYZOEREBSA-N	1	0	370.497	1.812	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cncc(-n4ccnn4)c3)C[C@@H]21	ZINC001084997543	919438490	/nfs/dbraw/zinc/43/84/90/919438490.db2.gz	HHPKZUKSSBRQPP-QAPCUYQASA-N	1	0	350.426	1.222	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4c(C)cnn4C)C[C@@H]32)C1=O	ZINC001085012050	919589505	/nfs/dbraw/zinc/58/95/05/919589505.db2.gz	SHNMSQROWDGWGJ-BBWFWOEESA-N	1	0	371.485	1.052	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN(CC(F)F)C3)C[C@@H]21	ZINC001085017485	919694496	/nfs/dbraw/zinc/69/44/96/919694496.db2.gz	ISRLJPUISGHVDR-IKGGRYGDSA-N	1	0	353.457	1.910	20	30		FDEDRO
C[NH+](C)CCOc1cccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1	ZINC000732696281	919985424	/nfs/dbraw/zinc/98/54/24/919985424.db2.gz	DIGGHHFMDWOBSQ-QGZVFWFLSA-N	1	0	357.458	1.831	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)Cc4ccccc43)C[C@@H]21	ZINC001085043078	920018593	/nfs/dbraw/zinc/01/85/93/920018593.db2.gz	CNEJFTKMJOEJRI-APWZRJJASA-N	1	0	351.450	1.522	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(CNC(C)=O)s3)C[C@@H]21	ZINC001085043828	920024525	/nfs/dbraw/zinc/02/45/25/920024525.db2.gz	FBVFGCOTRHXIIC-WBVHZDCISA-N	1	0	359.495	1.944	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(CNC(C)=O)s3)C[C@@H]21	ZINC001085044053	920028594	/nfs/dbraw/zinc/02/85/94/920028594.db2.gz	XHEZFPZLZROSDH-WBVHZDCISA-N	1	0	359.495	1.944	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccnn3C3CCOCC3)C[C@@H]21	ZINC001085052933	920119219	/nfs/dbraw/zinc/11/92/19/920119219.db2.gz	TVBHOQHITUSSQT-APWZRJJASA-N	1	0	356.470	1.794	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)c4cnon4)C[C@@H]32)cc1	ZINC001085059552	920279666	/nfs/dbraw/zinc/27/96/66/920279666.db2.gz	HQHIOQUIIBXHRB-QAPCUYQASA-N	1	0	367.409	1.709	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cn(C)nc4C)[C@H]3C2)cn1	ZINC001085078244	920539751	/nfs/dbraw/zinc/53/97/51/920539751.db2.gz	JVCQIFBOQWOTLN-UZLBHIALSA-N	1	0	363.465	1.841	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](CCc4ccnn4C)[C@H]3C2)nc1	ZINC001085078326	920543068	/nfs/dbraw/zinc/54/30/68/920543068.db2.gz	NKCYNHVMBJICKS-XLIONFOSSA-N	1	0	363.465	1.576	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4c(cn3)nc[nH]c4=O)C[C@@H]21	ZINC001085084268	920671310	/nfs/dbraw/zinc/67/13/10/920671310.db2.gz	TWRNSBPNQPQPLC-DYVFJYSZSA-N	1	0	351.410	1.290	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C[C@@H]21	ZINC001085090869	920775859	/nfs/dbraw/zinc/77/58/59/920775859.db2.gz	MYYZNLJVRAJSFZ-LMMKCTJWSA-N	1	0	357.498	1.724	20	30		FDEDRO
CC[C@@H](C#N)Oc1cc(CNC(=S)NCC[NH+](C)C)ccc1OC	ZINC000733209833	920777187	/nfs/dbraw/zinc/77/71/87/920777187.db2.gz	ZZOGWSXUMGULCI-AWEZNQCLSA-N	1	0	350.488	1.902	20	30		FDEDRO
CN1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)C1	ZINC001085158888	921875596	/nfs/dbraw/zinc/87/55/96/921875596.db2.gz	ADRZFMQNFZKEFR-QRVBRYPASA-N	1	0	356.470	1.406	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cccc(=O)[nH]2)C1=O	ZINC001085161269	921899245	/nfs/dbraw/zinc/89/92/45/921899245.db2.gz	PJDAOCKZNPDZDO-IIAWOOMASA-N	1	0	358.442	1.205	20	30		FDEDRO
C[C@H]1CCCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C#N)c[nH]2)C1	ZINC001085163814	921911370	/nfs/dbraw/zinc/91/13/70/921911370.db2.gz	BJBARSJFBVXWAG-USXIJHARSA-N	1	0	371.485	1.775	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ncccc2C)C1=O	ZINC001085164540	921916492	/nfs/dbraw/zinc/91/64/92/921916492.db2.gz	MKEKYKSPUCOUAB-BRWVUGGUSA-N	1	0	356.470	1.808	20	30		FDEDRO
C[NH+](C)[C@@H]1C[C@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C12CCC2	ZINC000823657800	921970268	/nfs/dbraw/zinc/97/02/68/921970268.db2.gz	USPBOUYWMMNVSZ-DLBZAZTESA-N	1	0	364.453	1.929	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCN(C3CCC3)C2=O)c[nH]1	ZINC001085176733	922008182	/nfs/dbraw/zinc/00/81/82/922008182.db2.gz	UPGOGADKSSPCMI-KURKYZTESA-N	1	0	369.469	1.670	20	30		FDEDRO
Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(F)ccc2C#N)nn1	ZINC001085189587	922147793	/nfs/dbraw/zinc/14/77/93/922147793.db2.gz	JHDBXAWPZWMRBX-HZPDHXFCSA-N	1	0	356.405	1.657	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@](C)(CNc3cnc(C#N)cn3)C2)CC[N@@H+]1C	ZINC001065503492	922333346	/nfs/dbraw/zinc/33/33/46/922333346.db2.gz	AMXMBXGFPJHWKN-FCEWJHQRSA-N	1	0	356.474	1.729	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3c2ccc(C#N)nn2)CC[N@@H+]1C	ZINC001066201636	922620841	/nfs/dbraw/zinc/62/08/41/922620841.db2.gz	FFYGEWNHLQBKGP-SIXLDLHFSA-N	1	0	354.458	1.258	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnnn1CC	ZINC001085202962	922673343	/nfs/dbraw/zinc/67/33/43/922673343.db2.gz	HIXRPDSJFNSFEF-TVFCKZIOSA-N	1	0	361.490	1.796	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc3n(n2)CCC3)C1=O	ZINC001085218676	922869961	/nfs/dbraw/zinc/86/99/61/922869961.db2.gz	LITNGZUBQGOPJR-BRWVUGGUSA-N	1	0	371.485	1.247	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCCC1	ZINC001085225069	922914073	/nfs/dbraw/zinc/91/40/73/922914073.db2.gz	HDZPJAMUJLEMAX-IAGOWNOFSA-N	1	0	358.486	1.927	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCOCC1	ZINC001085229636	922982115	/nfs/dbraw/zinc/98/21/15/922982115.db2.gz	BYVUQKOSOAOVDO-AQNXPRMDSA-N	1	0	361.530	1.918	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1	ZINC000734168907	923000998	/nfs/dbraw/zinc/00/09/98/923000998.db2.gz	HJMLUKDDDIAHDE-KRWDZBQOSA-N	1	0	372.469	1.085	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000734168908	923001362	/nfs/dbraw/zinc/00/13/62/923001362.db2.gz	HJMLUKDDDIAHDE-QGZVFWFLSA-N	1	0	372.469	1.085	20	30		FDEDRO
CN1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)CC1=O	ZINC001085247387	923142990	/nfs/dbraw/zinc/14/29/90/923142990.db2.gz	JDTYROYTZPRCSO-IPMKNSEASA-N	1	0	368.481	1.944	20	30		FDEDRO
N#Cc1cccnc1NCCNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000734271724	923147701	/nfs/dbraw/zinc/14/77/01/923147701.db2.gz	LUBRFZOSJUXXNX-QGZVFWFLSA-N	1	0	372.473	1.308	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2coc(OC)n2)C1=O	ZINC001085286995	923534413	/nfs/dbraw/zinc/53/44/13/923534413.db2.gz	LPVMNQULJUOXAU-MGPQQGTHSA-N	1	0	362.430	1.101	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCC(=O)NC2=O)cc1	ZINC001085293378	923610486	/nfs/dbraw/zinc/61/04/86/923610486.db2.gz	GYHXLPUFHHCOMN-ZACQAIPSSA-N	1	0	353.422	1.104	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCN(CC)C2=O)cc1	ZINC001085293622	923610826	/nfs/dbraw/zinc/61/08/26/923610826.db2.gz	RJLRZOSPFOWNIB-QRVBRYPASA-N	1	0	353.466	1.919	20	30		FDEDRO
Cn1c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)c[nH]c1=O	ZINC001085297116	923624832	/nfs/dbraw/zinc/62/48/32/923624832.db2.gz	DNLJARIDJYARKJ-HZPDHXFCSA-N	1	0	353.426	1.828	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(=O)cn2)c1	ZINC001085313780	923769571	/nfs/dbraw/zinc/76/95/71/923769571.db2.gz	NWNBWFODNIPRAJ-HZPDHXFCSA-N	1	0	351.410	1.472	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cccnc2C)C1=O	ZINC001085315348	923782126	/nfs/dbraw/zinc/78/21/26/923782126.db2.gz	QWJULWIEMSOQCC-KURKYZTESA-N	1	0	356.470	1.808	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cn(C)nc2C)c1	ZINC001085325853	923916521	/nfs/dbraw/zinc/91/65/21/923916521.db2.gz	IUCZXNKZORKJNY-RTBURBONSA-N	1	0	351.454	1.936	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCCN(C)C2=O)c1	ZINC001085326082	923916803	/nfs/dbraw/zinc/91/68/03/923916803.db2.gz	VCJNIQXVGUKABT-KZNAEPCWSA-N	1	0	354.454	1.314	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCC2)c1	ZINC001085326080	923916834	/nfs/dbraw/zinc/91/68/34/923916834.db2.gz	VBWWAACOGAYNQP-QZTJIDSGSA-N	1	0	354.454	1.316	20	30		FDEDRO
CCOCCC[N@@H+]1CCC(=NNC(=S)NC[C@H]2CCCO2)[C@H](C)C1	ZINC000735227460	924135457	/nfs/dbraw/zinc/13/54/57/924135457.db2.gz	CODAOSRXEVHUSH-HUUCEWRRSA-N	1	0	356.536	1.754	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC[C@@H]2CCOC2)nn1	ZINC001085358500	924169286	/nfs/dbraw/zinc/16/92/86/924169286.db2.gz	DZIFTGZSZCGTQN-BRWVUGGUSA-N	1	0	361.490	1.911	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2nc[nH]n2)cc1F	ZINC001085387386	924378358	/nfs/dbraw/zinc/37/83/58/924378358.db2.gz	NGPIMKJPUDZJKY-HZPDHXFCSA-N	1	0	356.405	1.575	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2ccc(CNS(C)(=O)=O)cc2)CC1	ZINC000735576091	924425905	/nfs/dbraw/zinc/42/59/05/924425905.db2.gz	AUYOQYIETZSGGC-UHFFFAOYSA-N	1	0	366.487	1.508	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnn(C)c1	ZINC001085397418	924442578	/nfs/dbraw/zinc/44/25/78/924442578.db2.gz	JDXVSKJCXVONDZ-QZTJIDSGSA-N	1	0	367.453	1.658	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCN(CC)C2=O)cn1	ZINC001085398937	924450878	/nfs/dbraw/zinc/45/08/78/924450878.db2.gz	IPXNSWIHKHLOJD-KURKYZTESA-N	1	0	354.454	1.314	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccnc(C)n2)C1=O	ZINC001085427039	924614127	/nfs/dbraw/zinc/61/41/27/924614127.db2.gz	LERVOJUNZAFSSS-INMHGKMJSA-N	1	0	357.458	1.203	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2cccc(C(=O)OC)c2)CC1	ZINC000735939892	924687525	/nfs/dbraw/zinc/68/75/25/924687525.db2.gz	KWBGNGVYBUNAOT-UHFFFAOYSA-N	1	0	358.394	1.300	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)NC(=O)NC2CCCCC2)CC1	ZINC000735939889	924688002	/nfs/dbraw/zinc/68/80/02/924688002.db2.gz	KVUMOMKFXLOKIQ-AWEZNQCLSA-N	1	0	363.458	1.422	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)COC(=O)COc2ccccc2C#N)CC1	ZINC000735961243	924706410	/nfs/dbraw/zinc/70/64/10/924706410.db2.gz	XSMQUMQROIZGJU-UHFFFAOYSA-N	1	0	359.426	1.469	20	30		FDEDRO
C=CCn1nnn(CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1=S	ZINC000738169058	925131521	/nfs/dbraw/zinc/13/15/21/925131521.db2.gz	DQLHZIVDWUJQDK-HNNXBMFYSA-N	1	0	351.524	1.054	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)CC1	ZINC000740736608	925420950	/nfs/dbraw/zinc/42/09/50/925420950.db2.gz	CPCWCZPQZNFEAJ-UHFFFAOYSA-N	1	0	354.454	1.812	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CSCN2C(=O)/C(C)=C\CC)CC1	ZINC000740748360	925434282	/nfs/dbraw/zinc/43/42/82/925434282.db2.gz	FOHDEJXUICUCFS-IJZIWBRISA-N	1	0	363.527	1.848	20	30		FDEDRO
CC[N@@H+]1CCC(N=Nc2ccc(S(=O)(=O)NC(C)C)cn2)[C@@H](C)C1	ZINC000741460690	925776191	/nfs/dbraw/zinc/77/61/91/925776191.db2.gz	SYUWISCPOPHMCW-ZDUSSCGKSA-N	1	0	353.492	1.898	20	30		FDEDRO
CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc(OC)c(C#N)c2)cc1	ZINC000742367512	926032556	/nfs/dbraw/zinc/03/25/56/926032556.db2.gz	AXHQTXYWTYKKHI-UHFFFAOYSA-N	1	0	359.451	1.906	20	30		FDEDRO
COc1ccc(C[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)cc1C#N	ZINC000742370748	926041664	/nfs/dbraw/zinc/04/16/64/926041664.db2.gz	LPGAHDKCMTWKMF-INIZCTEOSA-N	1	0	367.471	1.145	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCN(C(C)(C)C)C2=O)C1	ZINC001086202123	926286640	/nfs/dbraw/zinc/28/66/40/926286640.db2.gz	IYSHYIYYDIMJNS-ALYAQQCSSA-N	1	0	363.502	1.461	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)C1	ZINC001086202412	926288201	/nfs/dbraw/zinc/28/82/01/926288201.db2.gz	YAVSAFKFKUHSJE-PEZLKRJXSA-N	1	0	361.486	1.215	20	30		FDEDRO
CC[N@H+](C)C[C@H]1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1	ZINC000743399768	926348026	/nfs/dbraw/zinc/34/80/26/926348026.db2.gz	XORAZHHPQNXLSM-UZLBHIALSA-N	1	0	369.469	1.556	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)CC1	ZINC000743491394	926378216	/nfs/dbraw/zinc/37/82/16/926378216.db2.gz	GZYDRJKDYZMMIR-KRWDZBQOSA-N	1	0	367.449	1.109	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCN(C(C)C)C2=O)C1	ZINC001086369708	926866199	/nfs/dbraw/zinc/86/61/99/926866199.db2.gz	XACCZPXLQSJNOQ-DZVNLGKHSA-N	1	0	363.502	1.461	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCCN2c2ccc(C#N)cn2)CC[N@@H+]1C	ZINC001066526901	927148593	/nfs/dbraw/zinc/14/85/93/927148593.db2.gz	OTMVHCXWSMXMDI-IXDOHACOSA-N	1	0	357.458	1.005	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NC)cc2)C1	ZINC001086481292	927518309	/nfs/dbraw/zinc/51/83/09/927518309.db2.gz	ZFOCXWJOZWRRLP-OWYHZJEWSA-N	1	0	371.481	1.622	20	30		FDEDRO
C=C(Br)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1	ZINC001086485187	927557410	/nfs/dbraw/zinc/55/74/10/927557410.db2.gz	ISAFFADNENDVKS-CYUUQNCZSA-N	1	0	367.291	1.917	20	30		FDEDRO
CN(C)c1ccc(C(N)=[NH+]OCC(=O)NCc2cccc(C#N)c2)cc1	ZINC000746095702	927607015	/nfs/dbraw/zinc/60/70/15/927607015.db2.gz	ZKCIVZNDFHAHCJ-UHFFFAOYSA-N	1	0	351.410	1.578	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCc2cnn(CC)c2)C1	ZINC001086503628	927709014	/nfs/dbraw/zinc/70/90/14/927709014.db2.gz	DQKJNFMTOMZQRJ-VJANTYMQSA-N	1	0	360.502	1.911	20	30		FDEDRO
CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)c1ccccc1	ZINC000746343883	927887795	/nfs/dbraw/zinc/88/77/95/927887795.db2.gz	JFHOOOCQDHSJCR-QGZVFWFLSA-N	1	0	368.441	1.544	20	30		FDEDRO
CCCC[N@H+](C)CC1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1	ZINC000746370631	927918635	/nfs/dbraw/zinc/91/86/35/927918635.db2.gz	AGIITOPGTBRYRE-UHFFFAOYSA-N	1	0	360.462	1.316	20	30		FDEDRO
C=CCCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1OCCO[C@H]1C)C[C@@H](C)O2	ZINC001111545553	927976356	/nfs/dbraw/zinc/97/63/56/927976356.db2.gz	JTDLAEVBOKQEOT-SQNIBIBYSA-N	1	0	366.502	1.838	20	30		FDEDRO
C[NH+](C)CCNC(=S)N1CCN(c2ccc(C#N)cc2Cl)CC1	ZINC000766522846	928163541	/nfs/dbraw/zinc/16/35/41/928163541.db2.gz	OYATUCNUCRFQNY-UHFFFAOYSA-N	1	0	351.907	1.770	20	30		FDEDRO
N#Cc1c(C#N)c(-n2cncc2C[C@@H]([NH3+])CO)nc2c1CCCCCC2	ZINC001169072948	928262413	/nfs/dbraw/zinc/26/24/13/928262413.db2.gz	VIJULZAXYVXLHE-CYBMUJFWSA-N	1	0	350.426	1.532	20	30		FDEDRO
C=CCOC(=O)N1CC2(C1)CC[NH+]([C@H]1CC[C@H](C(=O)OCC)OC1)CC2	ZINC001169367884	928477482	/nfs/dbraw/zinc/47/74/82/928477482.db2.gz	QEWHERRTWILHBT-JKSUJKDBSA-N	1	0	366.458	1.818	20	30		FDEDRO
C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H]1CC[C@@H](C(=O)OCC)OC1)C2	ZINC001169389495	928533603	/nfs/dbraw/zinc/53/36/03/928533603.db2.gz	FAXPTGCNUMOAPM-VUHPKUFZSA-N	1	0	353.459	1.923	20	30		FDEDRO
C=CCN1CCN(C)C2(CC[NH+]([C@@H](C)CC(=O)N(CC)CC)CC2)C1=O	ZINC001169472501	928670215	/nfs/dbraw/zinc/67/02/15/928670215.db2.gz	RSPXTGRUQCCSTG-KRWDZBQOSA-N	1	0	364.534	1.428	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2ccncn2)[C@@H](n2ccnn2)C1	ZINC001129333601	928700520	/nfs/dbraw/zinc/70/05/20/928700520.db2.gz	PWOIPMLXAIHYMC-SJORKVTESA-N	1	0	357.462	1.694	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cnn(CC)c2C)[C@@H](n2ccnn2)C1	ZINC001129342539	928869185	/nfs/dbraw/zinc/86/91/85/928869185.db2.gz	QANJURQOUHBPCG-SJORKVTESA-N	1	0	357.462	1.424	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cnn(CCC)c2C)[C@@H](n2ccnn2)C1	ZINC001129342672	928871538	/nfs/dbraw/zinc/87/15/38/928871538.db2.gz	UNLNXPCKMXNEDQ-MSOLQXFVSA-N	1	0	371.489	1.815	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1COCCN1CCCC)C2	ZINC001109560543	929761949	/nfs/dbraw/zinc/76/19/49/929761949.db2.gz	GNXZQRGDEOTGKK-YDZRNGNQSA-N	1	0	365.518	1.411	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](C(=O)OC)c2ccc(OC)cc2OC)CC1	ZINC000770079279	929826194	/nfs/dbraw/zinc/82/61/94/929826194.db2.gz	LOWRFSKQFONGAW-GOSISDBHSA-N	1	0	374.437	1.379	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCNC(C)=O	ZINC001109597554	929909434	/nfs/dbraw/zinc/90/94/34/929909434.db2.gz	OXLZTRIAXCXRFH-IKGGRYGDSA-N	1	0	351.491	1.463	20	30		FDEDRO
C#CCNS(=O)(=O)N1CC[NH+](CC2CCC(C(F)(F)F)CC2)CC1	ZINC000770665641	930171944	/nfs/dbraw/zinc/17/19/44/930171944.db2.gz	RMCQFXXUBDAGGC-UHFFFAOYSA-N	1	0	367.437	1.440	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](C)OC2(CC[NH+](CCCOC)CC2)C1	ZINC001111550863	930203019	/nfs/dbraw/zinc/20/30/19/930203019.db2.gz	MMZSXZZDCNEMPG-KSZLIROESA-N	1	0	366.502	1.696	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)CN1C(=O)NC2(CCCCC2)C1=O	ZINC000770803866	930266420	/nfs/dbraw/zinc/26/64/20/930266420.db2.gz	VYGPVDLTYGFREF-HNNXBMFYSA-N	1	0	363.458	1.518	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C2	ZINC001109808474	930477897	/nfs/dbraw/zinc/47/78/97/930477897.db2.gz	IYSJIMMTHZHPFP-QZWWFDLISA-N	1	0	366.506	1.058	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3ccnn3)cc1)C2	ZINC001109967803	930929995	/nfs/dbraw/zinc/92/99/95/930929995.db2.gz	NDBAVDMRFABUPA-QYZOEREBSA-N	1	0	367.453	1.805	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H](CNc2nc(C)cc(C#N)n2)C2CC2)CC[N@@H+]1C	ZINC001110001974	931003980	/nfs/dbraw/zinc/00/39/80/931003980.db2.gz	QULDIJRGXBBUHK-YESZJQIVSA-N	1	0	356.474	1.694	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C2	ZINC001110010388	931055478	/nfs/dbraw/zinc/05/54/78/931055478.db2.gz	VKTKROLBERSZKQ-OWSLCNJRSA-N	1	0	351.491	1.461	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnc(C)nc1C)C2	ZINC001112547232	931446053	/nfs/dbraw/zinc/44/60/53/931446053.db2.gz	CXWZBXOQFNCYSS-PXNSSMCTSA-N	1	0	356.470	1.575	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ncccc1F)C2	ZINC001112551223	931464195	/nfs/dbraw/zinc/46/41/95/931464195.db2.gz	OEMXZOIIQBXDRV-LIRRHRJNSA-N	1	0	360.433	1.355	20	30		FDEDRO
CCC1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)CCCC1	ZINC001112554479	931520155	/nfs/dbraw/zinc/52/01/55/931520155.db2.gz	SZUFWJBRLFKAOE-JXFKEZNVSA-N	1	0	360.502	1.815	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C(N)=O)c[nH]1)C2	ZINC001112552385	931528841	/nfs/dbraw/zinc/52/88/41/931528841.db2.gz	UOTGLJJWPGDSOM-KXBFYZLASA-N	1	0	360.458	1.148	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)S(=O)(=O)CC)C2	ZINC001112555675	931559501	/nfs/dbraw/zinc/55/95/01/931559501.db2.gz	FUZVIXGUCVIBTD-RDJZCZTQSA-N	1	0	357.520	1.062	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)S(=O)(=O)CC)C2	ZINC001112555826	931559949	/nfs/dbraw/zinc/55/99/49/931559949.db2.gz	MOIABGSGFPQMLM-WMZOPIPTSA-N	1	0	371.547	1.452	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](NC(N)=O)C(C)(C)C)C2	ZINC001112564422	931607396	/nfs/dbraw/zinc/60/73/96/931607396.db2.gz	SOZHVZMLQLKQJS-DOXZYTNZSA-N	1	0	350.507	1.864	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]C[C@@H](C)O)C2)CCOCC1	ZINC001112571408	931654386	/nfs/dbraw/zinc/65/43/86/931654386.db2.gz	UYVDBVSDJPRGFC-UWVAXJGDSA-N	1	0	350.503	1.958	20	30		FDEDRO
Cc1cc(C)cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)c1	ZINC001112569310	931657781	/nfs/dbraw/zinc/65/77/81/931657781.db2.gz	QTBXFWTVRCMFQS-RXVVDRJESA-N	1	0	368.481	1.775	20	30		FDEDRO
CCOc1ncccc1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#CCOC)C1	ZINC001112572377	931666941	/nfs/dbraw/zinc/66/69/41/931666941.db2.gz	UTZOHRDCYLWNJU-UWJYYQICSA-N	1	0	371.481	1.962	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1nc3nccc(C)n3n1)C2	ZINC001112573243	931673909	/nfs/dbraw/zinc/67/39/09/931673909.db2.gz	RTNSZWDTWYRJHF-KXBFYZLASA-N	1	0	352.442	1.288	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N1CC[N@@H+](C2CCOCC2)C[C@H]1C	ZINC000785979086	931684608	/nfs/dbraw/zinc/68/46/08/931684608.db2.gz	BFAFFTOLBHMRAB-BEFAXECRSA-N	1	0	357.454	1.957	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1nccnc1C(N)=O)C2	ZINC001112575431	931703725	/nfs/dbraw/zinc/70/37/25/931703725.db2.gz	JAFYFCZITXWPBJ-LIRRHRJNSA-N	1	0	357.458	1.374	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)Nc1cc(C)on1)C2	ZINC001112577724	931730255	/nfs/dbraw/zinc/73/02/55/931730255.db2.gz	AMEHOMRITCAGGC-GUYCJALGSA-N	1	0	366.849	1.892	20	30		FDEDRO
C[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC#Cc1ccccc1)C2)C(N)=O	ZINC001112583256	931753387	/nfs/dbraw/zinc/75/33/87/931753387.db2.gz	KVXLOXATWBGJQW-MMOPVJDHSA-N	1	0	353.466	1.520	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCF)C1	ZINC001112585574	931765856	/nfs/dbraw/zinc/76/58/56/931765856.db2.gz	GFHBXZQBNUGVJY-KSSFIOAISA-N	1	0	354.470	1.438	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC3CCC1CC3)C2	ZINC001112586730	931778263	/nfs/dbraw/zinc/77/82/63/931778263.db2.gz	NGGKHOSSPWIYRW-MRGFKWQHSA-N	1	0	371.525	1.780	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1cnn(C)c1)C2	ZINC001112584572	931783355	/nfs/dbraw/zinc/78/33/55/931783355.db2.gz	YJOLGPDNIZEWHF-ICSRJNTNSA-N	1	0	360.502	1.774	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(C)(C)C)C1	ZINC001112589204	931802173	/nfs/dbraw/zinc/80/21/73/931802173.db2.gz	PEJOYWADOOHPBF-FTRWYGJKSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)c1cnn(C)c1)C2	ZINC001112593769	931859089	/nfs/dbraw/zinc/85/90/89/931859089.db2.gz	LQAJQXNMINVZPT-KPFFTGBYSA-N	1	0	360.502	1.945	20	30		FDEDRO
CCOC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)CC1	ZINC000786784912	932032461	/nfs/dbraw/zinc/03/24/61/932032461.db2.gz	GQUCWZHZILYQDD-KGLIPLIRSA-N	1	0	350.463	1.784	20	30		FDEDRO
C[C@@](C#N)(NC(=O)COC(=O)CC[N@@H+]1CCc2ccccc2C1)C1CC1	ZINC000786817504	932051100	/nfs/dbraw/zinc/05/11/00/932051100.db2.gz	PVOMGGYGCGDBIM-FQEVSTJZSA-N	1	0	355.438	1.786	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000787107591	932182906	/nfs/dbraw/zinc/18/29/06/932182906.db2.gz	NUVPSGQUEJYTCG-DOTOQJQBSA-N	1	0	351.491	1.607	20	30		FDEDRO
COc1ccc(CNC(=O)NCCCC[NH+]2CCN(C)CC2)cc1C#N	ZINC000746706266	932366316	/nfs/dbraw/zinc/36/63/16/932366316.db2.gz	YSTZWMFSCPTUBW-UHFFFAOYSA-N	1	0	359.474	1.394	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000788522855	932722671	/nfs/dbraw/zinc/72/26/71/932722671.db2.gz	KITWXNMNZSFQMZ-UHFFFAOYSA-N	1	0	359.455	1.549	20	30		FDEDRO
COc1ccc(CNC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1C#N	ZINC000746771591	932858776	/nfs/dbraw/zinc/85/87/76/932858776.db2.gz	FCCQTHRSBUCEJA-QGZVFWFLSA-N	1	0	360.458	1.723	20	30		FDEDRO
C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1	ZINC001113134036	933211378	/nfs/dbraw/zinc/21/13/78/933211378.db2.gz	OOKITPAHCAHWAI-OTWHNJEPSA-N	1	0	365.518	1.365	20	30		FDEDRO
Cc1nn(C)c(C=NNC(=S)NCCC[NH+](C)C)c1Br	ZINC000790296812	933451232	/nfs/dbraw/zinc/45/12/32/933451232.db2.gz	GKJORJXANYBAIX-UHFFFAOYSA-N	1	0	361.313	1.241	20	30		FDEDRO
N#CCCN(Cc1cccnc1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O	ZINC000790361282	933489176	/nfs/dbraw/zinc/48/91/76/933489176.db2.gz	VFZNBEYILVVICD-IBGZPJMESA-N	1	0	355.442	1.671	20	30		FDEDRO
C#CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ncccc2NC(C)=O)C1	ZINC001086592015	933798168	/nfs/dbraw/zinc/79/81/68/933798168.db2.gz	RHBRFKIKUYZFCR-PKOBYXMFSA-N	1	0	362.433	1.871	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2c(C)nnn2CC)C1	ZINC001086592574	933815804	/nfs/dbraw/zinc/81/58/04/933815804.db2.gz	VODQXGJOKQLOTC-ZWKOTPCHSA-N	1	0	351.454	1.828	20	30		FDEDRO
C=CCC1(C(=O)OCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CCC1	ZINC000791564407	934063662	/nfs/dbraw/zinc/06/36/62/934063662.db2.gz	LTESMMKTOXAZBU-MRXNPFEDSA-N	1	0	352.475	1.749	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2	ZINC001110101427	934267739	/nfs/dbraw/zinc/26/77/39/934267739.db2.gz	OOVRCAAYEWNJNI-BDXSIMOUSA-N	1	0	362.518	1.084	20	30		FDEDRO
CCOC(=O)CN(CC[NH3+])c1nc2cc(C#N)c(C#N)cc2nc1Cl	ZINC001170993998	945098688	/nfs/dbraw/zinc/09/86/88/945098688.db2.gz	IABZAQHQCBERFL-UHFFFAOYSA-N	1	0	358.789	1.355	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1C#N	ZINC000793901662	938334354	/nfs/dbraw/zinc/33/43/54/938334354.db2.gz	OEPNLSQZCWOKKI-CABCVRRESA-N	1	0	372.469	1.420	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2nc3nccc(C)n3n2)C1	ZINC001086622430	938400960	/nfs/dbraw/zinc/40/09/60/938400960.db2.gz	WVIJFJQHAIJBRF-DLBZAZTESA-N	1	0	362.437	1.817	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Oc2ccccn2)[C@@H](n2ccnn2)C1	ZINC001129393764	938401310	/nfs/dbraw/zinc/40/13/10/938401310.db2.gz	SUSQTTJLOSVEHV-ZACQAIPSSA-N	1	0	370.457	1.448	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2[nH]nc3ccccc32)[C@@H](n2ccnn2)C1	ZINC001129412457	938408170	/nfs/dbraw/zinc/40/81/70/938408170.db2.gz	SAJARLSUCJEBRL-SJORKVTESA-N	1	0	365.441	1.776	20	30		FDEDRO
C#CCN1C[C@@H](NC(=O)[C@H](C)Oc2cccc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129417177	938408876	/nfs/dbraw/zinc/40/88/76/938408876.db2.gz	ADIUOPLWQBIELA-JQHSSLGASA-N	1	0	353.426	1.029	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnn3cc[nH]c23)[C@@H](n2ccnn2)C1	ZINC001129404619	938417638	/nfs/dbraw/zinc/41/76/38/938417638.db2.gz	ZABLAJTXVNVQCK-BMFZPTHFSA-N	1	0	368.445	1.264	20	30		FDEDRO
CCCC[N@@H+]1C[C@@H](NC(=O)CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129449247	938419556	/nfs/dbraw/zinc/41/95/56/938419556.db2.gz	JZKKKZVFWAJXOX-MOPGFXCFSA-N	1	0	351.454	1.862	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)Cc2ccc(C)nc2)[C@@H](n2ccnn2)C1	ZINC001129438693	938425749	/nfs/dbraw/zinc/42/57/49/938425749.db2.gz	ZLRLEUFJAAQEPC-MSOLQXFVSA-N	1	0	354.458	1.532	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CCC2CCCC2)C[C@@H]1n1ccnn1	ZINC001129540927	938454832	/nfs/dbraw/zinc/45/48/32/938454832.db2.gz	IWJYWCZFSZLITN-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
CCCC[C@@H](CC)C(=O)N1C[C@@H]([NH2+]CC#CCOC)[C@@H](n2ccnn2)C1	ZINC001129604101	938463102	/nfs/dbraw/zinc/46/31/02/938463102.db2.gz	WYGZGLMKRMDJKM-KURKYZTESA-N	1	0	361.490	1.486	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cncnc2C)C[C@@H]1n1ccnn1	ZINC001129612902	938476505	/nfs/dbraw/zinc/47/65/05/938476505.db2.gz	DVYWBZFSLAXXHZ-MSOLQXFVSA-N	1	0	369.473	1.778	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n2ccnn2)C1	ZINC001129656300	938483213	/nfs/dbraw/zinc/48/32/13/938483213.db2.gz	OFIFASOKOWYATB-FMRXSRBFSA-N	1	0	353.854	1.353	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]([NH2+][C@@H](C)c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129681223	938484017	/nfs/dbraw/zinc/48/40/17/938484017.db2.gz	LOBSLNDCAVMPBM-JQHSSLGASA-N	1	0	355.442	1.583	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)Cc2ccon2)C[C@@H]1n1ccnn1	ZINC001129703942	938489465	/nfs/dbraw/zinc/48/94/65/938489465.db2.gz	PHKFRYMFXYBJRM-SJORKVTESA-N	1	0	360.462	1.821	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H]([NH2+]CCCCCCC)[C@@H](n2ccnn2)C1	ZINC001129795188	938509018	/nfs/dbraw/zinc/50/90/18/938509018.db2.gz	CCWABSRLDPAABV-ZIFCJYIRSA-N	1	0	363.506	1.917	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnnc(C)c2)C[C@@H]1n1ccnn1	ZINC001129782343	938515204	/nfs/dbraw/zinc/51/52/04/938515204.db2.gz	HKTBYNWWPKXNEO-XKQJLSEDSA-N	1	0	355.446	1.387	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H]([NH2+]CC2=CCCCC2)[C@@H](n2ccnn2)C1	ZINC001129788554	938516510	/nfs/dbraw/zinc/51/65/10/938516510.db2.gz	LKOSLOSTVIVQRB-ZIFCJYIRSA-N	1	0	359.474	1.447	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1n1ccnn1	ZINC001129803375	938516820	/nfs/dbraw/zinc/51/68/20/938516820.db2.gz	ICUJVLFQBJBHPR-ZBFHGGJFSA-N	1	0	360.466	1.032	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CC2(C)CCCC2)C[C@@H]1n1ccnn1	ZINC001129807993	938518539	/nfs/dbraw/zinc/51/85/39/938518539.db2.gz	XBPQJUNSQLMOCO-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1C[C@@H]([NH2+]CCOC2CCC2)[C@@H](n2ccnn2)C1	ZINC001129825524	938523178	/nfs/dbraw/zinc/52/31/78/938523178.db2.gz	YHWRFFTZDYEQDI-SJORKVTESA-N	1	0	359.474	1.238	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cn2ccc(C)n2)C[C@@H]1n1ccnn1	ZINC001129866415	938526737	/nfs/dbraw/zinc/52/67/37/938526737.db2.gz	BBVDURLSFPIUPP-OIISXLGYSA-N	1	0	357.462	1.037	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[C@@H]2CCCCO2)C[C@@H]1n1ccnn1	ZINC001129850025	938527066	/nfs/dbraw/zinc/52/70/66/938527066.db2.gz	KOAAREJDRDRLBQ-IKGGRYGDSA-N	1	0	359.474	1.238	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc(OC(C)C)cn2)C[C@@H]1n1ccnn1	ZINC001129854819	938528032	/nfs/dbraw/zinc/52/80/32/938528032.db2.gz	AFUKMPCLSCACNN-CVEARBPZSA-N	1	0	371.445	1.087	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCO[C@H]2C(C)C)C[C@@H]1n1ccnn1	ZINC001129855401	938528397	/nfs/dbraw/zinc/52/83/97/938528397.db2.gz	JMHDVZIRZAYEOO-MHORFTMASA-N	1	0	359.474	1.094	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(F)cc2F)C[C@@H]1n1ccnn1	ZINC001129858255	938530111	/nfs/dbraw/zinc/53/01/11/938530111.db2.gz	SGSJJEPFNPRRMA-SJORKVTESA-N	1	0	361.396	1.717	20	30		FDEDRO
CCn1nccc1[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1	ZINC001129859887	938530842	/nfs/dbraw/zinc/53/08/42/938530842.db2.gz	MOJGRDORRLWNGQ-UYAOXDASSA-N	1	0	366.465	1.738	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCCCO2)[C@@H](n2ccnn2)C1	ZINC001129833622	938533158	/nfs/dbraw/zinc/53/31/58/938533158.db2.gz	CDGUKSIYBDJFTG-KURKYZTESA-N	1	0	359.474	1.382	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCCCO2)[C@@H](n2ccnn2)C1	ZINC001129833621	938533218	/nfs/dbraw/zinc/53/32/18/938533218.db2.gz	CDGUKSIYBDJFTG-KSZLIROESA-N	1	0	359.474	1.382	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COCc2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001129887924	938540619	/nfs/dbraw/zinc/54/06/19/938540619.db2.gz	XOBWFRJWPPGGSJ-MOPGFXCFSA-N	1	0	369.469	1.721	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1n1ccnn1	ZINC001129887945	938540736	/nfs/dbraw/zinc/54/07/36/938540736.db2.gz	YGQNOBLSTFJKBD-CABCVRRESA-N	1	0	351.426	1.105	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c(C)[nH]nc2Cl)C[C@@H]1n1ccnn1	ZINC001129892301	938543178	/nfs/dbraw/zinc/54/31/78/938543178.db2.gz	QMMCSDBQHAJFNK-OLZOCXBDSA-N	1	0	363.853	1.585	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccnn2C(C)C)C[C@@H]1n1ccnn1	ZINC001129867670	938544262	/nfs/dbraw/zinc/54/42/62/938544262.db2.gz	WLNAQMIRONVMBF-WBVHZDCISA-N	1	0	357.462	1.677	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccnn2CCC)C[C@@H]1n1ccnn1	ZINC001129871894	938545047	/nfs/dbraw/zinc/54/50/47/938545047.db2.gz	PBQCIVOLYNYCSQ-NUJGCVRESA-N	1	0	371.489	1.895	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H]([NH2+]Cc2cn(C)nc2C)[C@@H](n2ccnn2)C1	ZINC001129874802	938545948	/nfs/dbraw/zinc/54/59/48/938545948.db2.gz	PTUODCKWMDCYAV-SJORKVTESA-N	1	0	371.489	1.464	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2cccc(CC)c2)C[C@@H]1n1ccnn1	ZINC001129912392	938551264	/nfs/dbraw/zinc/55/12/64/938551264.db2.gz	CJHMWHWWIDMOLN-MOPGFXCFSA-N	1	0	351.454	1.448	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccc(CC)o2)C[C@@H]1n1ccnn1	ZINC001129914940	938552744	/nfs/dbraw/zinc/55/27/44/938552744.db2.gz	OHDICTSROCLCIC-CVEARBPZSA-N	1	0	359.430	1.291	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnc3ccccn23)C[C@@H]1n1ccnn1	ZINC001129916900	938553771	/nfs/dbraw/zinc/55/37/71/938553771.db2.gz	HFBGINQFCZJPCZ-WBVHZDCISA-N	1	0	365.441	1.547	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)n([C@H](C)CC)n2)C[C@@H]1n1ccnn1	ZINC001129917158	938554118	/nfs/dbraw/zinc/55/41/18/938554118.db2.gz	NJUCAWQFOQKAJS-OLMNPRSZSA-N	1	0	369.473	1.433	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H]([NH2+]CCOCC=C)[C@@H](n3ccnn3)C2)CCC1	ZINC001129894852	938556129	/nfs/dbraw/zinc/55/61/29/938556129.db2.gz	VIJTXHPNXRBWKR-SJORKVTESA-N	1	0	357.458	1.016	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H]([NH2+]CC(C)C)[C@@H](n3ccnn3)C2)CCOCC1	ZINC001129894657	938556144	/nfs/dbraw/zinc/55/61/44/938556144.db2.gz	NQVJHNMZDYANDQ-SJORKVTESA-N	1	0	359.474	1.096	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2oc(C(F)F)cc2C)C[C@@H]1n1ccnn1	ZINC001129899977	938559669	/nfs/dbraw/zinc/55/96/69/938559669.db2.gz	UZIOHYPDJZCFAH-OLZOCXBDSA-N	1	0	363.368	1.796	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)n2ccnc2)C[C@@H]1n1ccnn1	ZINC001129902503	938561299	/nfs/dbraw/zinc/56/12/99/938561299.db2.gz	PBJVLILCDLRJDW-IKGGRYGDSA-N	1	0	357.462	1.290	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(C)noc2C2CC2)C[C@@H]1n1ccnn1	ZINC001129936914	938564551	/nfs/dbraw/zinc/56/45/51/938564551.db2.gz	XDSBVERPDYKIRC-CABCVRRESA-N	1	0	356.430	1.683	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnn(C(C)(C)C)c2)C[C@@H]1n1ccnn1	ZINC001129919366	938567837	/nfs/dbraw/zinc/56/78/37/938567837.db2.gz	VNIUMDVEAJBOOQ-SJORKVTESA-N	1	0	371.489	1.851	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(COC)cs2)C[C@@H]1n1ccnn1	ZINC001129924900	938570524	/nfs/dbraw/zinc/57/05/24/938570524.db2.gz	MOBKSFUKIKEYQD-CABCVRRESA-N	1	0	359.455	1.165	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3O2)C[C@@H]1n1ccnn1	ZINC001129927275	938571733	/nfs/dbraw/zinc/57/17/33/938571733.db2.gz	TVPFKYZOOIWFRC-AOIWGVFYSA-N	1	0	367.453	1.590	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)c(OC)c2)C[C@@H]1n1ccnn1	ZINC001129928901	938572543	/nfs/dbraw/zinc/57/25/43/938572543.db2.gz	UGUZHABWSUHJIQ-SJORKVTESA-N	1	0	353.426	1.274	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C[C@@H]1n1ccnn1	ZINC001129930845	938573408	/nfs/dbraw/zinc/57/34/08/938573408.db2.gz	XDDJAOKCGCWPHW-MANSERQUSA-N	1	0	373.501	1.649	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)nc2C2CC2)C[C@@H]1n1ccnn1	ZINC001129951978	938575046	/nfs/dbraw/zinc/57/50/46/938575046.db2.gz	DFBJCRNDHXPYRJ-MSOLQXFVSA-N	1	0	364.453	1.538	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCOc2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001129952472	938575659	/nfs/dbraw/zinc/57/56/59/938575659.db2.gz	WGMVHPPNJDTPJY-MSOLQXFVSA-N	1	0	371.416	1.251	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2occ3c2CCC3)C[C@@H]1n1ccnn1	ZINC001129945125	938580427	/nfs/dbraw/zinc/58/04/27/938580427.db2.gz	FFDDMDOFRQXNDD-SJORKVTESA-N	1	0	355.442	1.981	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3ccc(F)cc32)C[C@@H]1n1ccnn1	ZINC001129980550	938595699	/nfs/dbraw/zinc/59/56/99/938595699.db2.gz	NEILPKGFTFYPNA-KURKYZTESA-N	1	0	355.417	1.675	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H]([NH2+]CCOCC(F)F)[C@@H](n2ccnn2)C1	ZINC001129976461	938600695	/nfs/dbraw/zinc/60/06/95/938600695.db2.gz	NJGPAVFNERFSLD-ZNMIVQPWSA-N	1	0	371.432	1.504	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(F)F)n[nH]2)C[C@@H]1n1ccnn1	ZINC001130000571	938607485	/nfs/dbraw/zinc/60/74/85/938607485.db2.gz	FJPMSJBXDCEZSN-OLZOCXBDSA-N	1	0	351.361	1.170	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]([NH2+]C[C@@H]2CC(C)(C)CO2)[C@@H](n2ccnn2)C1	ZINC001129986967	938610417	/nfs/dbraw/zinc/61/04/17/938610417.db2.gz	SIZVFZAFNIQIBZ-BBWFWOEESA-N	1	0	361.490	1.791	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001129988050	938611203	/nfs/dbraw/zinc/61/12/03/938611203.db2.gz	GEANHFXADWLUAV-MOPGFXCFSA-N	1	0	351.454	1.666	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COc2cccc(OC)c2)C[C@@H]1n1ccnn1	ZINC001130014891	938616161	/nfs/dbraw/zinc/61/61/61/938616161.db2.gz	FVIPQWWXSUJHHP-MSOLQXFVSA-N	1	0	371.441	1.283	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)c2ccnnc2)C[C@@H]1n1ccnn1	ZINC001130017312	938617713	/nfs/dbraw/zinc/61/77/13/938617713.db2.gz	BJEBYNRQIHYKGP-SJORKVTESA-N	1	0	357.462	1.694	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cn(CC)nc2C)C[C@@H]1n1ccnn1	ZINC001130023948	938620055	/nfs/dbraw/zinc/62/00/55/938620055.db2.gz	GFZDWZRFUCDCEX-QGTPRVQTSA-N	1	0	371.489	1.813	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3ccncc3C2)C[C@@H]1n1ccnn1	ZINC001130007614	938625002	/nfs/dbraw/zinc/62/50/02/938625002.db2.gz	NGDXZEYDPBLEAQ-JQHSSLGASA-N	1	0	352.442	1.006	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(CCC)[nH]c(=O)c2)C[C@@H]1n1ccnn1	ZINC001130030658	938632259	/nfs/dbraw/zinc/63/22/59/938632259.db2.gz	LFLVHCDOUIGEJB-SJORKVTESA-N	1	0	368.441	1.010	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2oc(CC(C)C)nc2C)C[C@@H]1n1ccnn1	ZINC001130032599	938633442	/nfs/dbraw/zinc/63/34/42/938633442.db2.gz	JGVUEEXSRCIPAW-CVEARBPZSA-N	1	0	370.457	1.452	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc([C@@H](C)CC)no2)C[C@@H]1n1ccnn1	ZINC001130032770	938633483	/nfs/dbraw/zinc/63/34/83/938633483.db2.gz	MFHPCMUVTZPSCB-IMJJTQAJSA-N	1	0	356.430	1.458	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2oc(C3CC3)nc2C)C[C@@H]1n1ccnn1	ZINC001130032805	938633711	/nfs/dbraw/zinc/63/37/11/938633711.db2.gz	NDPFQUYZWSURGF-CABCVRRESA-N	1	0	354.414	1.131	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCC2)C[C@@H]1n1ccnn1	ZINC001130033717	938634335	/nfs/dbraw/zinc/63/43/35/938634335.db2.gz	BOXOSMPXQPJEFA-MLHJIOFPSA-N	1	0	359.474	1.258	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2C#N)C1	ZINC000747225770	938638833	/nfs/dbraw/zinc/63/88/33/938638833.db2.gz	BKWXRDOPHNCRLP-OAHLLOKOSA-N	1	0	366.487	1.143	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](c2cccnc2)C(C)C)C[C@@H]1n1ccnn1	ZINC001130057232	938640286	/nfs/dbraw/zinc/64/02/86/938640286.db2.gz	PPSNEVJOJCUYCQ-CEXWTWQISA-N	1	0	366.469	1.478	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCOC2)C[C@@H]1n1ccnn1	ZINC001130057238	938640922	/nfs/dbraw/zinc/64/09/22/938640922.db2.gz	PSSOHDVBIIMSDD-AOIWGVFYSA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2cnn(C)c2)C[C@@H]1n1ccnn1	ZINC001130062652	938650714	/nfs/dbraw/zinc/65/07/14/938650714.db2.gz	PNJJZOQKELLLJA-JQHSSLGASA-N	1	0	371.489	1.198	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2cnn(C)c2)C[C@@H]1n1ccnn1	ZINC001130062767	938650962	/nfs/dbraw/zinc/65/09/62/938650962.db2.gz	WIUSIEDFTTVGCR-NXHRZFHOSA-N	1	0	371.489	1.198	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(OC)cc2F)C[C@@H]1n1ccnn1	ZINC001130065352	938652980	/nfs/dbraw/zinc/65/29/80/938652980.db2.gz	HNDZEXGHYZAZEY-MSOLQXFVSA-N	1	0	371.416	1.033	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(CC)c[nH]c2=O)C[C@@H]1n1ccnn1	ZINC001130066807	938655374	/nfs/dbraw/zinc/65/53/74/938655374.db2.gz	LVJDOIGGRMWMBA-CVEARBPZSA-N	1	0	356.430	1.173	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)COCCCOC)C[C@@H]1n1ccnn1	ZINC001130077283	938670282	/nfs/dbraw/zinc/67/02/82/938670282.db2.gz	AEFFCNMCRHSHSU-BBWFWOEESA-N	1	0	365.478	1.027	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn([C@H](C)CC)c2C)C[C@@H]1n1ccnn1	ZINC001130077719	938670969	/nfs/dbraw/zinc/67/09/69/938670969.db2.gz	WQJAPHMTGRZZQG-OLMNPRSZSA-N	1	0	369.473	1.433	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2cnn(CC)c2)C[C@@H]1n1ccnn1	ZINC001130079806	938672674	/nfs/dbraw/zinc/67/26/74/938672674.db2.gz	ZGDMNOIHPWEKQE-SJORKVTESA-N	1	0	357.462	1.045	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2occ3c2CCCC3)C[C@@H]1n1ccnn1	ZINC001130102086	938674025	/nfs/dbraw/zinc/67/40/25/938674025.db2.gz	GLPDHDKCXIQEAL-SJORKVTESA-N	1	0	353.426	1.429	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]CC[C@@H](C)F)[C@@H](n3ccnn3)C2)cn1	ZINC001130091279	938676334	/nfs/dbraw/zinc/67/63/34/938676334.db2.gz	JGWJNSZAWAKHRE-XYPHTWIQSA-N	1	0	356.405	1.058	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(Cl)cn2)C[C@@H]1n1ccnn1	ZINC001130095076	938679726	/nfs/dbraw/zinc/67/97/26/938679726.db2.gz	ZMBAHULFUIOMBH-CVEARBPZSA-N	1	0	360.849	1.948	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ncccc2Cl)C[C@@H]1n1ccnn1	ZINC001130096276	938680645	/nfs/dbraw/zinc/68/06/45/938680645.db2.gz	CMMZQALRFDPTAT-CABCVRRESA-N	1	0	360.849	1.948	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130099385	938682162	/nfs/dbraw/zinc/68/21/62/938682162.db2.gz	DZAMVULBADOMMM-MOPGFXCFSA-N	1	0	369.469	1.455	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)COc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130102125	938684137	/nfs/dbraw/zinc/68/41/37/938684137.db2.gz	IDNYVELWWVUEDY-MSOLQXFVSA-N	1	0	355.442	1.665	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ncccc2OC)C[C@@H]1n1ccnn1	ZINC001130105354	938686293	/nfs/dbraw/zinc/68/62/93/938686293.db2.gz	YKMCEFZJGHKQJN-CABCVRRESA-N	1	0	356.430	1.303	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cccnc2OCC)C[C@@H]1n1ccnn1	ZINC001130110077	938688910	/nfs/dbraw/zinc/68/89/10/938688910.db2.gz	TXMPHINSHMDKBV-SJORKVTESA-N	1	0	370.457	1.693	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2ccc(OC)cc2)C[C@@H]1n1ccnn1	ZINC001130112723	938692685	/nfs/dbraw/zinc/69/26/85/938692685.db2.gz	NYAHLGNBGVRNFP-MOPGFXCFSA-N	1	0	367.453	1.284	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001130115150	938694504	/nfs/dbraw/zinc/69/45/04/938694504.db2.gz	WNKBHRIVUDGIHK-QGTPRVQTSA-N	1	0	371.416	1.250	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cncnc2CC)C[C@@H]1n1ccnn1	ZINC001130125634	938696994	/nfs/dbraw/zinc/69/69/94/938696994.db2.gz	XVDQBXBYEFCCDL-OLMNPRSZSA-N	1	0	369.473	1.641	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2c(C)noc2C)C[C@@H]1n1ccnn1	ZINC001130118777	938701770	/nfs/dbraw/zinc/70/17/70/938701770.db2.gz	MXOKFWMYHFTKAJ-SJORKVTESA-N	1	0	358.446	1.433	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCOCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130132305	938707422	/nfs/dbraw/zinc/70/74/22/938707422.db2.gz	ABAFTZACEYPVSH-MOPGFXCFSA-N	1	0	369.469	1.803	20	30		FDEDRO
O=C(CC#Cc1ccccc1)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1	ZINC001130133936	938708478	/nfs/dbraw/zinc/70/84/78/938708478.db2.gz	KKPTZTOBOXYCSX-MSOLQXFVSA-N	1	0	355.417	1.421	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)n2c(C)ccc2C)C[C@@H]1n1ccnn1	ZINC001130139632	938711644	/nfs/dbraw/zinc/71/16/44/938711644.db2.gz	GKTGNZANHOPSSG-KSZLIROESA-N	1	0	354.458	1.322	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c3ccc(C)cc32)C[C@@H]1n1ccnn1	ZINC001130143026	938714175	/nfs/dbraw/zinc/71/41/75/938714175.db2.gz	LIMCKHSQCCJALQ-MOPGFXCFSA-N	1	0	362.437	1.746	20	30		FDEDRO
C=C[C@@H](C(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1)c1ccccc1	ZINC001130143493	938714376	/nfs/dbraw/zinc/71/43/76/938714376.db2.gz	WGSAKMXPEUYFFJ-KURKYZTESA-N	1	0	357.433	1.949	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnc(OCC)cn2)C[C@@H]1n1ccnn1	ZINC001130155334	938718339	/nfs/dbraw/zinc/71/83/39/938718339.db2.gz	BBHSCDNXUFXUMW-CVEARBPZSA-N	1	0	371.445	1.088	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H]([NH2+]CCOC)[C@@H](n3ccnn3)C2)CCCCC1	ZINC001130155597	938718543	/nfs/dbraw/zinc/71/85/43/938718543.db2.gz	RDWOERKEWWZCMM-SJORKVTESA-N	1	0	359.474	1.240	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCc3ccccc32)C[C@@H]1n1ccnn1	ZINC001130158577	938720092	/nfs/dbraw/zinc/72/00/92/938720092.db2.gz	MAHCEEAXPMOWKL-SVFBPWRDSA-N	1	0	363.465	1.547	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccccc2F)[nH]1	ZINC001130177794	938725753	/nfs/dbraw/zinc/72/57/53/938725753.db2.gz	UYSAUPGHOPTSAV-HOCLYGCPSA-N	1	0	371.416	1.359	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C)o2)[nH]1	ZINC001130181904	938729078	/nfs/dbraw/zinc/72/90/78/938729078.db2.gz	WPDBRLUKAKJTOG-ZFWWWQNUSA-N	1	0	359.430	1.674	20	30		FDEDRO
CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC#Cc2ccc(F)cc2)n[nH]1	ZINC001130173491	938731978	/nfs/dbraw/zinc/73/19/78/938731978.db2.gz	SWYOKQSNMHZKOK-IRXDYDNUSA-N	1	0	371.416	1.094	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=C(C)C2CC2)[nH]1	ZINC001130186399	938731993	/nfs/dbraw/zinc/73/19/93/938731993.db2.gz	BGJKMGCCZKWLOP-UPUWXQQRSA-N	1	0	359.474	1.815	20	30		FDEDRO
C=CCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCOCC)[nH]1	ZINC001130193055	938737330	/nfs/dbraw/zinc/73/73/30/938737330.db2.gz	GUHNAHNVVRFQKL-GJZGRUSLSA-N	1	0	365.478	1.276	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)/C=C(\C)CC)n1	ZINC001130207847	938747070	/nfs/dbraw/zinc/74/70/70/938747070.db2.gz	SHXOWUGXUZKARY-OVGBVBOLSA-N	1	0	367.881	1.992	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCC(C)=C(C)C2)n1	ZINC001130213131	938750466	/nfs/dbraw/zinc/75/04/66/938750466.db2.gz	VFVXPQDLFCCPNW-ULQDDVLXSA-N	1	0	371.485	1.653	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H](C)SC)n1	ZINC001130200235	938753734	/nfs/dbraw/zinc/75/37/34/938753734.db2.gz	DRJPJMDEKAWAEN-RDBSUJKOSA-N	1	0	365.503	1.048	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)/C(C)=C/CC)n1	ZINC001130200228	938753814	/nfs/dbraw/zinc/75/38/14/938753814.db2.gz	DOWDUTVEYYDDIM-ZKZSOYRCSA-N	1	0	367.881	1.992	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2csnc2C)[nH]1	ZINC001130200708	938754381	/nfs/dbraw/zinc/75/43/81/938754381.db2.gz	TZAAJYVSNRUVPX-AAEUAGOBSA-N	1	0	362.459	1.148	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC[C@@H](C)O2)[nH]1	ZINC001130239910	938756268	/nfs/dbraw/zinc/75/62/68/938756268.db2.gz	CUWNXLZBQNGGQF-BARDWOONSA-N	1	0	363.462	1.027	20	30		FDEDRO
C=CC(C)(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C/C=C\Cl)[nH]1	ZINC001130227776	938761885	/nfs/dbraw/zinc/76/18/85/938761885.db2.gz	OJDFRZDPHSNANP-REPZICSESA-N	1	0	367.881	1.848	20	30		FDEDRO
CC#CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCC)[nH]1	ZINC001130229718	938763102	/nfs/dbraw/zinc/76/31/02/938763102.db2.gz	BJVYLPMXWXUMDW-HOTGVXAUSA-N	1	0	361.490	1.877	20	30		FDEDRO
CC#CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCF)[nH]1	ZINC001130229941	938763303	/nfs/dbraw/zinc/76/33/03/938763303.db2.gz	JFPAEHFNYBMDNK-GJZGRUSLSA-N	1	0	365.453	1.436	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCF)[nH]1	ZINC001130230161	938763718	/nfs/dbraw/zinc/76/37/18/938763718.db2.gz	OYJGOCGMLHWLLE-KBPBESRZSA-N	1	0	353.442	1.599	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC(C)(F)F)[nH]1	ZINC001130233076	938765374	/nfs/dbraw/zinc/76/53/74/938765374.db2.gz	XRQYAYHFPRMZCW-RYUDHWBXSA-N	1	0	357.405	1.504	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2conc2C)[nH]1	ZINC001130232949	938765429	/nfs/dbraw/zinc/76/54/29/938765429.db2.gz	VMIZVTMNRVPACJ-JSGCOSHPSA-N	1	0	360.418	1.069	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC23CCC3)[nH]1	ZINC001130240574	938768382	/nfs/dbraw/zinc/76/83/82/938768382.db2.gz	VJHURYOFXLXLOF-KKUMJFAQSA-N	1	0	359.474	1.649	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2oncc2C)[nH]1	ZINC001130244683	938770439	/nfs/dbraw/zinc/77/04/39/938770439.db2.gz	NKWJBEJNUSZNAJ-STQMWFEESA-N	1	0	360.418	1.069	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)CC(C)C)n1	ZINC001130244875	938770524	/nfs/dbraw/zinc/77/05/24/938770524.db2.gz	OSUOXESGWDVZAM-PMPSAXMXSA-N	1	0	361.490	1.589	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccn2CC)[nH]1	ZINC001130248983	938773162	/nfs/dbraw/zinc/77/31/62/938773162.db2.gz	DDNSWWVIABXJPT-HOCLYGCPSA-N	1	0	370.457	1.042	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@@H](C)SC)CC1	ZINC001130280904	938779205	/nfs/dbraw/zinc/77/92/05/938779205.db2.gz	BOSHWFLRTGDBJX-OGWOLHLISA-N	1	0	365.543	1.627	20	30		FDEDRO
CC/C=C/CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)C#N)CC1	ZINC001130282364	938780054	/nfs/dbraw/zinc/78/00/54/938780054.db2.gz	UDCWRQHHTUDMPA-AENLVVGXSA-N	1	0	360.502	1.978	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2ccco2)CC1	ZINC001130269580	938784242	/nfs/dbraw/zinc/78/42/42/938784242.db2.gz	YCKJSWBQIPGERE-XLIONFOSSA-N	1	0	357.454	1.321	20	30		FDEDRO
C=CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCCOC)CC1	ZINC001130274262	938786577	/nfs/dbraw/zinc/78/65/77/938786577.db2.gz	DSQMAEYEYMBQSW-XLIONFOSSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC=C(C)C)CC1	ZINC001130279242	938789331	/nfs/dbraw/zinc/78/93/31/938789331.db2.gz	XTIRBLXKTJFQJK-XLIONFOSSA-N	1	0	363.502	1.631	20	30		FDEDRO
C=CCOCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)/C(C)=C/C)CC1	ZINC001130285587	938790475	/nfs/dbraw/zinc/79/04/75/938790475.db2.gz	LITTXKZFPQOFQR-LLFXRFBESA-N	1	0	363.502	1.631	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)/C=C/c2ccc[nH]2)CC1	ZINC001130286060	938790914	/nfs/dbraw/zinc/79/09/14/938790914.db2.gz	VRSSWXIDRYNLQY-GLCUETTDSA-N	1	0	368.481	1.527	20	30		FDEDRO
C/C=C(/C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC#CCOC)CC1	ZINC001130286169	938791093	/nfs/dbraw/zinc/79/10/93/938791093.db2.gz	ZUXUPRMFMQFSMR-HYVHITROSA-N	1	0	361.486	1.078	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC2(O)CCC2)CC1	ZINC001130290836	938795365	/nfs/dbraw/zinc/79/53/65/938795365.db2.gz	NHVWLZZPKKGECG-APWZRJJASA-N	1	0	363.502	1.343	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1	ZINC001130293299	938796961	/nfs/dbraw/zinc/79/69/61/938796961.db2.gz	SLNHEYNPTVJSAF-WBVHZDCISA-N	1	0	351.491	1.056	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2ccccn2)CC1	ZINC001130295653	938798018	/nfs/dbraw/zinc/79/80/18/938798018.db2.gz	LTRKOLOOMGHHHN-NQIIRXRSSA-N	1	0	370.497	1.676	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2cn[nH]c2)CC1	ZINC001130301719	938800277	/nfs/dbraw/zinc/80/02/77/938800277.db2.gz	CEIXJXRHLSPKPN-APWZRJJASA-N	1	0	359.474	1.004	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2(CF)CC2)CC1	ZINC001130302389	938800914	/nfs/dbraw/zinc/80/09/14/938800914.db2.gz	XWKIFYIULKRRJA-WBVHZDCISA-N	1	0	351.466	1.788	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@@H](C)COC)CC1	ZINC001130304860	938803001	/nfs/dbraw/zinc/80/30/01/938803001.db2.gz	CXMWFFQDLAIORG-OGWOLHLISA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)CCCOC)CC1	ZINC001130307052	938804802	/nfs/dbraw/zinc/80/48/02/938804802.db2.gz	GQQJAQUQHHMBQO-WDYCEAGBSA-N	1	0	365.518	1.711	20	30		FDEDRO
N#Cc1cnn(CCOC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1N	ZINC000805876068	938840956	/nfs/dbraw/zinc/84/09/56/938840956.db2.gz	CWQPKYHUFOGBPG-UHFFFAOYSA-N	1	0	353.426	1.792	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1c1cn(C)cn1	ZINC001130480587	938875656	/nfs/dbraw/zinc/87/56/56/938875656.db2.gz	VXPUXXQMMVKKBH-FUHWJXTLSA-N	1	0	361.490	1.187	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)oc2C)C[C@H]1c1cn(C)cn1	ZINC001130500793	938884342	/nfs/dbraw/zinc/88/43/42/938884342.db2.gz	PTEBWZYPACVUJL-PKOBYXMFSA-N	1	0	370.453	1.478	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1c1cn(C)cn1	ZINC001130522600	938897739	/nfs/dbraw/zinc/89/77/39/938897739.db2.gz	PWGHZCAZJRHQIV-YQQAZPJKSA-N	1	0	356.474	1.706	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccccn2)C1	ZINC001130574440	939874755	/nfs/dbraw/zinc/87/47/55/939874755.db2.gz	VGSOBVBXVCPAIB-HQRMLTQVSA-N	1	0	369.469	1.226	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCO[C@@H](C)CC(C)C)C[C@H]1c1cn(C)cn1	ZINC001130586936	939887113	/nfs/dbraw/zinc/88/71/13/939887113.db2.gz	DAROMZMOLYIMJX-JENIJYKNSA-N	1	0	360.502	1.779	20	30		FDEDRO
CC(C)COCC[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1cn(C)cn1	ZINC001130587423	939887792	/nfs/dbraw/zinc/88/77/92/939887792.db2.gz	NEJKICVLWPGHOL-PKOBYXMFSA-N	1	0	358.486	1.390	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(C)nnc2C)C[C@H]1c1cn(C)cn1	ZINC001130599134	939904634	/nfs/dbraw/zinc/90/46/34/939904634.db2.gz	KDIGDUJLLRXWAT-PKOBYXMFSA-N	1	0	368.485	1.991	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)NC(=O)CC)C[C@H]1c1cn(C)cn1	ZINC001130599160	939904650	/nfs/dbraw/zinc/90/46/50/939904650.db2.gz	LLWPDNILWIHZLY-YQQAZPJKSA-N	1	0	361.490	1.185	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3c([nH]2)CCOC3)C[C@H]1c1cn(C)cn1	ZINC001130610804	939908167	/nfs/dbraw/zinc/90/81/67/939908167.db2.gz	RMFKJGCHUTVJHW-HNAYVOBHSA-N	1	0	367.453	1.042	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCF)C1)OCC	ZINC001130602844	939914578	/nfs/dbraw/zinc/91/45/78/939914578.db2.gz	QBQPAWSQXSJUMK-USXIJHARSA-N	1	0	352.454	1.645	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(=O)NCC)C1	ZINC001130604722	939916173	/nfs/dbraw/zinc/91/61/73/939916173.db2.gz	KUXMYKLLVQNPIG-GOEBONIOSA-N	1	0	361.490	1.043	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2snnc2CC)C[C@H]1c1cn(C)cn1	ZINC001130623541	939921590	/nfs/dbraw/zinc/92/15/90/939921590.db2.gz	DBTWTQIRNSYFRT-SWLSCSKDSA-N	1	0	358.471	1.055	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(COC)o2)C[C@H]1c1cn(C)cn1	ZINC001130624229	939922227	/nfs/dbraw/zinc/92/22/27/939922227.db2.gz	QHMNAYJANANUCB-DOTOQJQBSA-N	1	0	356.426	1.381	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCCO1	ZINC000806425816	939922633	/nfs/dbraw/zinc/92/26/33/939922633.db2.gz	PEKVWXRBXZBCMK-FHWLQOOXSA-N	1	0	369.465	1.064	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1c1cn(C)cn1	ZINC001130626360	939924057	/nfs/dbraw/zinc/92/40/57/939924057.db2.gz	KXCYJEVLBOJZJI-DZGCQCFKSA-N	1	0	371.441	1.276	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cn2cc(C3CC3)cn2)C[C@H]1c1cn(C)cn1	ZINC001130619368	939930127	/nfs/dbraw/zinc/93/01/27/939930127.db2.gz	OMDSZFRFHBOYCC-PKOBYXMFSA-N	1	0	366.469	1.102	20	30		FDEDRO
CCCN(CC[NH+]1CCCCC1)C(=O)C(=NOC)c1csc(N)n1	ZINC000822881419	945282942	/nfs/dbraw/zinc/28/29/42/945282942.db2.gz	GEDGLZNPNSQYAS-UHFFFAOYSA-N	1	0	353.492	1.800	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2cc(CC)nn2C)C[C@H]1c1cn(C)cn1	ZINC001130630154	939934780	/nfs/dbraw/zinc/93/47/80/939934780.db2.gz	GPORTKAYRNOALY-PKOBYXMFSA-N	1	0	370.501	1.419	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2ccccn2)C[C@H]1c1cn(C)cn1	ZINC001130637624	939939483	/nfs/dbraw/zinc/93/94/83/939939483.db2.gz	CKMDWYRCOGJWFP-PKOBYXMFSA-N	1	0	351.454	1.355	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(CCC)n[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130637975	939940198	/nfs/dbraw/zinc/94/01/98/939940198.db2.gz	VJCKYLDIJJHJQJ-MAUKXSAKSA-N	1	0	354.458	1.317	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@@H]2CCOC2)C1	ZINC001130649292	939944368	/nfs/dbraw/zinc/94/43/68/939944368.db2.gz	DSOGMBYVMMYJTK-JENIJYKNSA-N	1	0	358.486	1.534	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@H]1c1cn(C)cn1	ZINC001130649426	939944659	/nfs/dbraw/zinc/94/46/59/939944659.db2.gz	KQAYEVIXLAIOJP-WAXPSYRMSA-N	1	0	358.486	1.553	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cn(C)cn1	ZINC001130654618	939948429	/nfs/dbraw/zinc/94/84/29/939948429.db2.gz	PSXDRYRVWFYBMN-GOEBONIOSA-N	1	0	353.898	1.398	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cncnc2)C[C@H]1c1cn(C)cn1	ZINC001130654558	939948497	/nfs/dbraw/zinc/94/84/97/939948497.db2.gz	MCRKIZMXIQLKKA-HHXXYDBFSA-N	1	0	368.485	1.864	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(=O)NCCC)C1	ZINC001130642622	939950080	/nfs/dbraw/zinc/95/00/80/939950080.db2.gz	WMTKCRQDQNUZGD-GOEBONIOSA-N	1	0	361.490	1.043	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2ccc(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130642512	939950116	/nfs/dbraw/zinc/95/01/16/939950116.db2.gz	QGHUNILCLPJUKM-ZIFCJYIRSA-N	1	0	368.485	1.484	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCn2cccn2)C1	ZINC001130643993	939952255	/nfs/dbraw/zinc/95/22/55/939952255.db2.gz	BCTDKUIZOQXRLP-PKOBYXMFSA-N	1	0	368.485	1.394	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1	ZINC001130664069	939957114	/nfs/dbraw/zinc/95/71/14/939957114.db2.gz	FOHQQRZSVPQOFQ-HLLBOEOZSA-N	1	0	361.490	1.137	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]C[C@@H](F)CC)C2)c1	ZINC001130670052	939970472	/nfs/dbraw/zinc/97/04/72/939970472.db2.gz	OWJFPOVLYYJVHS-JENIJYKNSA-N	1	0	369.444	1.742	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccco2)C[C@H]1c1cn(C)cn1	ZINC001130677760	939974215	/nfs/dbraw/zinc/97/42/15/939974215.db2.gz	GNSVSCUWSWYOQL-XLMAVXFVSA-N	1	0	352.438	1.724	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#CCOC)C1	ZINC001130685132	939974852	/nfs/dbraw/zinc/97/48/52/939974852.db2.gz	FPJXXDPKADWPRR-FUHWJXTLSA-N	1	0	358.486	1.556	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2cccnc2)C[C@H]1c1cn(C)cn1	ZINC001130687488	939977160	/nfs/dbraw/zinc/97/71/60/939977160.db2.gz	CCXHAEKVXDLIFV-XKGZKEIXSA-N	1	0	365.481	1.916	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CCC2(C)CC2)C[C@H]1c1cn(C)cn1	ZINC001130706564	939988181	/nfs/dbraw/zinc/98/81/81/939988181.db2.gz	MLWWNAPUUWKEHX-FUHWJXTLSA-N	1	0	358.486	1.534	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnoc2C(C)C)C[C@H]1c1cn(C)cn1	ZINC001130706584	939988305	/nfs/dbraw/zinc/98/83/05/939988305.db2.gz	NLBGZFBUKFOMQI-DOTOQJQBSA-N	1	0	355.442	1.753	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)c(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130695212	939989649	/nfs/dbraw/zinc/98/96/49/939989649.db2.gz	GVFKDRIUPOIXMS-PKOBYXMFSA-N	1	0	366.465	1.958	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCCn2ccnc2C)C[C@H]1c1cn(C)cn1	ZINC001130695406	939990030	/nfs/dbraw/zinc/99/00/30/939990030.db2.gz	QQWWHNJLFMVMHU-PKOBYXMFSA-N	1	0	370.501	1.866	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COCc2ccncc2)C[C@H]1c1cn(C)cn1	ZINC001130700893	939996011	/nfs/dbraw/zinc/99/60/11/939996011.db2.gz	IJZBQYBASZMFAU-PKOBYXMFSA-N	1	0	369.469	1.492	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2Cl)C[C@H]1c1cn(C)cn1	ZINC001130709954	939998093	/nfs/dbraw/zinc/99/80/93/939998093.db2.gz	KEWFAXMVGJFWOL-SWLSCSKDSA-N	1	0	360.849	1.028	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)nn2)C[C@H]1c1cn(C)cn1	ZINC001130714659	940006467	/nfs/dbraw/zinc/00/64/67/940006467.db2.gz	HFUOIXXUVZQSBR-WMLDXEAASA-N	1	0	369.473	1.050	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)CC(F)(F)F)C[C@H]1c1cn(C)cn1	ZINC001130715469	940008171	/nfs/dbraw/zinc/00/81/71/940008171.db2.gz	ZXUXDIPDKVGTIZ-VNHYZAJKSA-N	1	0	356.392	1.916	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnc(OC)nc2)C[C@H]1c1cn(C)cn1	ZINC001130708354	940014155	/nfs/dbraw/zinc/01/41/55/940014155.db2.gz	LETBBNRTNMUZRM-DOTOQJQBSA-N	1	0	370.457	1.383	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COc2ccccc2F)C[C@H]1c1cn(C)cn1	ZINC001130728828	940017447	/nfs/dbraw/zinc/01/74/47/940017447.db2.gz	NCNDVCJXOAAEBX-MAUKXSAKSA-N	1	0	370.428	1.546	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(OC)cc2)C[C@H]1c1cn(C)cn1	ZINC001130719344	940022402	/nfs/dbraw/zinc/02/24/02/940022402.db2.gz	KPSUBZNAZBIVGH-AZUAARDMSA-N	1	0	366.465	1.579	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ncccc2OC)C[C@H]1c1cn(C)cn1	ZINC001130719421	940023071	/nfs/dbraw/zinc/02/30/71/940023071.db2.gz	PESWYNBTSYXMAB-GOEBONIOSA-N	1	0	353.426	1.045	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOC)C1	ZINC001130719551	940023552	/nfs/dbraw/zinc/02/35/52/940023552.db2.gz	XOISWZMSJLDEIO-AZUAARDMSA-N	1	0	366.465	1.175	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cncnc2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130721622	940025620	/nfs/dbraw/zinc/02/56/20/940025620.db2.gz	LAWATUFLBNETPO-FUHWJXTLSA-N	1	0	366.469	1.861	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2cncn2C)C[C@H]1c1cn(C)cn1	ZINC001130721694	940025692	/nfs/dbraw/zinc/02/56/92/940025692.db2.gz	PAXUTRCOLOXCFG-FUHWJXTLSA-N	1	0	356.474	1.247	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cncnc2C(C)C)C[C@H]1c1cn(C)cn1	ZINC001130726441	940031340	/nfs/dbraw/zinc/03/13/40/940031340.db2.gz	YESLURCTMRCNMX-FUHWJXTLSA-N	1	0	366.469	1.555	20	30		FDEDRO
C#Cc1cncc(C(=O)NCc2cccc(OCC[N@@H+](C)CCOC)c2)c1	ZINC000806773736	940040993	/nfs/dbraw/zinc/04/09/93/940040993.db2.gz	BCNBCKPWQOCRNX-UHFFFAOYSA-N	1	0	367.449	1.950	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCOCCOC)C[C@H]1c1cn(C)cn1	ZINC001130741566	940044077	/nfs/dbraw/zinc/04/40/77/940044077.db2.gz	IZOOMNCZDOSVFV-FUHWJXTLSA-N	1	0	364.490	1.323	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COCCc2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130741766	940046052	/nfs/dbraw/zinc/04/60/52/940046052.db2.gz	OZCFYZBJPADDIY-AZUAARDMSA-N	1	0	366.465	1.197	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1O	ZINC001090493589	940053236	/nfs/dbraw/zinc/05/32/36/940053236.db2.gz	UVNOYWBBCNETAM-BFYDXBDKSA-N	1	0	366.412	1.043	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CSC)n2)O1	ZINC001130752800	940060077	/nfs/dbraw/zinc/06/00/77/940060077.db2.gz	BINDZWDINAKERM-QWHCGFSZSA-N	1	0	353.492	1.560	20	30		FDEDRO
CC(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CSCC#N)n2)O1	ZINC001130757878	940082825	/nfs/dbraw/zinc/08/28/25/940082825.db2.gz	JXBZLUOQRVUXJI-QWHCGFSZSA-N	1	0	366.491	1.143	20	30		FDEDRO
C#CCC(CC#C)C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1	ZINC000806830413	940084177	/nfs/dbraw/zinc/08/41/77/940084177.db2.gz	KDFZTINCHFDHNS-UHFFFAOYSA-N	1	0	365.477	1.791	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(C)nc3)n2)O1	ZINC001130759796	940087009	/nfs/dbraw/zinc/08/70/09/940087009.db2.gz	MBUKQNPWSUICEE-LSDHHAIUSA-N	1	0	356.430	1.434	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](CC)OCC)n2)O1	ZINC001130764986	940094450	/nfs/dbraw/zinc/09/44/50/940094450.db2.gz	BGXHXHQLMPQQTH-SOUVJXGZSA-N	1	0	363.462	1.069	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)OCC)n2)O1	ZINC001130767417	940100911	/nfs/dbraw/zinc/10/09/11/940100911.db2.gz	HZNOLMFMDORWRI-SOUVJXGZSA-N	1	0	365.478	1.622	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)SC)n2)O1	ZINC001130767808	940102031	/nfs/dbraw/zinc/10/20/31/940102031.db2.gz	SUBRLPSSBQQBDV-RWMBFGLXSA-N	1	0	351.476	1.005	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C/C=C\Cl)O2)n[nH]1	ZINC001130769989	940108348	/nfs/dbraw/zinc/10/83/48/940108348.db2.gz	SVIPTCIIUMZSNA-SAYZJQMQSA-N	1	0	352.826	1.143	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3CC=CC3)n2)O1	ZINC001130770250	940109211	/nfs/dbraw/zinc/10/92/11/940109211.db2.gz	YWENENMDTLEEJF-UONOGXRCSA-N	1	0	365.865	1.949	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)n2)O1	ZINC001130772426	940112275	/nfs/dbraw/zinc/11/22/75/940112275.db2.gz	MIVVKZQDARYURW-DEQQHWRFSA-N	1	0	359.474	1.853	20	30		FDEDRO
C#CCCCNC(=O)C(=O)N(Cc1ccncc1)C[C@H]1CCC[N@H+]1CC	ZINC000806917440	940115936	/nfs/dbraw/zinc/11/59/36/940115936.db2.gz	JQRMWRHKRJZZSF-GOSISDBHSA-N	1	0	356.470	1.424	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3n[nH]c(C)c3C)n2)O1	ZINC001130776383	940124840	/nfs/dbraw/zinc/12/48/40/940124840.db2.gz	CAQDBOOOVXKWFA-QWHCGFSZSA-N	1	0	359.434	1.070	20	30		FDEDRO
C=CCOCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1	ZINC001130776556	940125589	/nfs/dbraw/zinc/12/55/89/940125589.db2.gz	FUDIFGUOFOAMDF-UONOGXRCSA-N	1	0	369.441	1.183	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cnnc(C)c3)n2)O1	ZINC001130777189	940128630	/nfs/dbraw/zinc/12/86/30/940128630.db2.gz	WAZHKJCROHULLI-LSDHHAIUSA-N	1	0	371.445	1.219	20	30		FDEDRO
C#CCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC[C@H](C)F)O2)n[nH]1	ZINC001130778102	940131062	/nfs/dbraw/zinc/13/10/62/940131062.db2.gz	FVNCELRUKQGKLT-SOUVJXGZSA-N	1	0	365.453	1.782	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3=CCOCC3)n2)O1	ZINC001130778287	940131734	/nfs/dbraw/zinc/13/17/34/940131734.db2.gz	OZQCUQXEFJZGHI-LSDHHAIUSA-N	1	0	361.446	1.153	20	30		FDEDRO
C#CCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCOCC)O2)n[nH]1	ZINC001130778456	940132340	/nfs/dbraw/zinc/13/23/40/940132340.db2.gz	YVCSKAKRTZEKIZ-LSDHHAIUSA-N	1	0	363.462	1.071	20	30		FDEDRO
CC(C)C#CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCC3CC3)O2)n[nH]1	ZINC001130780767	940135249	/nfs/dbraw/zinc/13/52/49/940135249.db2.gz	BBSRBJMFNFRJCN-JKSUJKDBSA-N	1	0	359.474	1.690	20	30		FDEDRO
C#CCCCNC(=O)C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1	ZINC000806912134	940140019	/nfs/dbraw/zinc/14/00/19/940140019.db2.gz	WCILPMIWCKIMDR-MJGOQNOKSA-N	1	0	355.482	1.933	20	30		FDEDRO
CC[C@@H](F)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C#CC(C)C)n2)O1	ZINC001130783130	940142290	/nfs/dbraw/zinc/14/22/90/940142290.db2.gz	LNAQVLZCZTYCAX-QLFBSQMISA-N	1	0	365.453	1.638	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(C4CC4)CCC3)n2)O1	ZINC001130794400	940146292	/nfs/dbraw/zinc/14/62/92/940146292.db2.gz	VEBLKGPXLFPLNN-LSDHHAIUSA-N	1	0	357.458	1.444	20	30		FDEDRO
C=C[C@H](CC)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCO)O2)n[nH]1	ZINC001130796423	940152112	/nfs/dbraw/zinc/15/21/12/940152112.db2.gz	QSUWYUSCNCOOGA-QLFBSQMISA-N	1	0	365.478	1.215	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C)nc(C)c3)n2)O1	ZINC001130787408	940155770	/nfs/dbraw/zinc/15/57/70/940155770.db2.gz	PGVWTTQVSGXYGV-JKSUJKDBSA-N	1	0	368.441	1.189	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3c[nH]nc3CC)n2)O1	ZINC001130792621	940171969	/nfs/dbraw/zinc/17/19/69/940171969.db2.gz	NDFDNKBXWNXSMC-SMDDNHRTSA-N	1	0	359.434	1.016	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(CF)CC3)n2)O1	ZINC001130804582	940175546	/nfs/dbraw/zinc/17/55/46/940175546.db2.gz	MHRCRHZWLDWVPE-UONOGXRCSA-N	1	0	365.453	1.947	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)c3ccco3)n2)O1	ZINC001130807488	940182660	/nfs/dbraw/zinc/18/26/60/940182660.db2.gz	ZBPALQSTBXVKJR-KCQAQPDRSA-N	1	0	359.430	1.813	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCC(C)(C)C3)n2)O1	ZINC001130807267	940182805	/nfs/dbraw/zinc/18/28/05/940182805.db2.gz	VRXWOQGBDCQPTL-QLFBSQMISA-N	1	0	359.474	1.690	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(C)(C)C(F)F)n2)O1	ZINC001130809069	940185742	/nfs/dbraw/zinc/18/57/42/940185742.db2.gz	FZHCGGUMOFBBNH-WDEREUQCSA-N	1	0	357.405	1.708	20	30		FDEDRO
C=CCCOCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC(C)C)O2)n[nH]1	ZINC001130822802	940203255	/nfs/dbraw/zinc/20/32/55/940203255.db2.gz	MSRRXGVCZDMIHK-LSDHHAIUSA-N	1	0	365.478	1.479	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3C[C@H]3C3CCC3)n2)O1	ZINC001130811636	940204984	/nfs/dbraw/zinc/20/49/84/940204984.db2.gz	BCXPRZFPBYLDLD-MWDXBVQZSA-N	1	0	371.485	1.690	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C)nc(C)n3)n2)O1	ZINC001130812019	940206174	/nfs/dbraw/zinc/20/61/74/940206174.db2.gz	XFZUKQLARHAGBW-DZGCQCFKSA-N	1	0	371.445	1.137	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3nc(C)c[nH]3)n2)O1	ZINC001130812067	940206355	/nfs/dbraw/zinc/20/63/55/940206355.db2.gz	ZJRDAEHSWLGJQO-QWHCGFSZSA-N	1	0	359.434	1.152	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ncccc3F)n2)O1	ZINC001130813612	940212219	/nfs/dbraw/zinc/21/22/19/940212219.db2.gz	UKIUQCLDRBYHMG-WCQYABFASA-N	1	0	360.393	1.265	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3oncc3C)n2)O1	ZINC001130815898	940216667	/nfs/dbraw/zinc/21/66/67/940216667.db2.gz	FVYPBWXESJCXOP-QWHCGFSZSA-N	1	0	360.418	1.417	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(C3CC3)C3CC3)n2)O1	ZINC001130817767	940223533	/nfs/dbraw/zinc/22/35/33/940223533.db2.gz	YYSKMONFSMUBSP-JKSUJKDBSA-N	1	0	371.485	1.690	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3c(C)cccc3F)n2)O1	ZINC001130820581	940228346	/nfs/dbraw/zinc/22/83/46/940228346.db2.gz	YVOXFQLUOHULNL-DZGCQCFKSA-N	1	0	371.416	1.625	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnsn2)C[C@H]1c1cncn1C	ZINC001130924896	940321491	/nfs/dbraw/zinc/32/14/91/940321491.db2.gz	IWJZWQMJPJZMFX-GZBFAFLISA-N	1	0	360.487	1.824	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(CC)CC)C[C@H]1c1cncn1C	ZINC001130915356	940324652	/nfs/dbraw/zinc/32/46/52/940324652.db2.gz	KGCJBMYUXAYHPW-HZPDHXFCSA-N	1	0	361.490	1.043	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CSC(C)C)C[C@H]1c1cncn1C	ZINC001130920979	940331058	/nfs/dbraw/zinc/33/10/58/940331058.db2.gz	QFYOBZFUAMJOPG-HZPDHXFCSA-N	1	0	364.515	1.096	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnnn2CC)C1	ZINC001130935860	940332249	/nfs/dbraw/zinc/33/22/49/940332249.db2.gz	OQUMSDHKBDVQQU-HZPDHXFCSA-N	1	0	357.462	1.082	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccns2)C1	ZINC001130948399	940346985	/nfs/dbraw/zinc/34/69/85/940346985.db2.gz	JNALNOXJWMRJSR-HUUCEWRRSA-N	1	0	361.471	1.163	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOCC)C1	ZINC001130945797	940356775	/nfs/dbraw/zinc/35/67/75/940356775.db2.gz	BVTOSAHFQUVALH-IAGOWNOFSA-N	1	0	364.490	1.323	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cccnc2)C1	ZINC001130946690	940357999	/nfs/dbraw/zinc/35/79/99/940357999.db2.gz	ZYPFVXZXKHFHAV-IAGOWNOFSA-N	1	0	355.442	1.102	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1c1cncn1C	ZINC001130961704	940366951	/nfs/dbraw/zinc/36/69/51/940366951.db2.gz	LZPYFNARVGCTGO-NVXWUHKLSA-N	1	0	352.442	1.784	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cnccc2C)C[C@H]1c1cncn1C	ZINC001130953547	940373728	/nfs/dbraw/zinc/37/37/28/940373728.db2.gz	GBBATDGQJZEVBT-QZTJIDSGSA-N	1	0	369.469	1.524	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C2CCC(O)CC2)C[C@H]1c1cncn1C	ZINC001130972851	940383168	/nfs/dbraw/zinc/38/31/68/940383168.db2.gz	CMDTVZVPAQNGJN-OPQOLIRYSA-N	1	0	360.502	1.821	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnc(C)o2)C1	ZINC001130964264	940385120	/nfs/dbraw/zinc/38/51/20/940385120.db2.gz	BOFCOAULBJDJQV-QZTJIDSGSA-N	1	0	369.469	1.994	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnoc2C)C1	ZINC001130964351	940385544	/nfs/dbraw/zinc/38/55/44/940385544.db2.gz	GNKJHCCUUQNTRL-QZTJIDSGSA-N	1	0	369.469	1.994	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1c1cncn1C	ZINC001130975536	940403160	/nfs/dbraw/zinc/40/31/60/940403160.db2.gz	CVTILIALHCILJJ-RBSFLKMASA-N	1	0	357.462	1.101	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2=CCCCCC2)C[C@H]1c1cncn1C	ZINC001130975817	940404075	/nfs/dbraw/zinc/40/40/75/940404075.db2.gz	SILIAFCMYABNAU-RTBURBONSA-N	1	0	370.497	1.844	20	30		FDEDRO
Cn1cncc1[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1[NH2+]C[C@H]1CCOC1	ZINC001130986125	940423868	/nfs/dbraw/zinc/42/38/68/940423868.db2.gz	YAUOASKVQVDBAM-BRWVUGGUSA-N	1	0	358.486	1.390	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)CCCC3)C[C@H]1c1cncn1C	ZINC001131001751	940428339	/nfs/dbraw/zinc/42/83/39/940428339.db2.gz	MIKKCZULDLOAFI-HZPDHXFCSA-N	1	0	366.469	1.174	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccnn2C(C)C)C[C@H]1c1cncn1C	ZINC001131003541	940429549	/nfs/dbraw/zinc/42/95/49/940429549.db2.gz	JBKIHNUFTLRADX-HZPDHXFCSA-N	1	0	356.474	1.971	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc3c([nH]2)CCOC3)C[C@H]1c1cncn1C	ZINC001131008207	940434779	/nfs/dbraw/zinc/43/47/79/940434779.db2.gz	XCNNNYMZTUPQER-CRAIPNDOSA-N	1	0	369.469	1.595	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C)C2CCC2)C[C@H]1c1cncn1C	ZINC001131017964	940438916	/nfs/dbraw/zinc/43/89/16/940438916.db2.gz	VJBQHPIIPQXSGC-KBAYOESNSA-N	1	0	360.502	1.943	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC23CC3)C[C@H]1c1cncn1C	ZINC001131018051	940439190	/nfs/dbraw/zinc/43/91/90/940439190.db2.gz	ZCYHFRGLJLUJDT-KZNAEPCWSA-N	1	0	370.497	1.534	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H]1c1cncn1C	ZINC001131020225	940452570	/nfs/dbraw/zinc/45/25/70/940452570.db2.gz	ODIHIFUACAIIDG-NVXWUHKLSA-N	1	0	368.485	1.796	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(COC)c2)C[C@H]1c1cncn1C	ZINC001131026052	940459285	/nfs/dbraw/zinc/45/92/85/940459285.db2.gz	RNXVAFGQNWIZNV-RTBURBONSA-N	1	0	366.465	1.788	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3O2)C[C@H]1c1cncn1C	ZINC001131026063	940459337	/nfs/dbraw/zinc/45/93/37/940459337.db2.gz	SEWDINFOCFTTFQ-HLIPFELVSA-N	1	0	364.449	1.331	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCn2ccnc2)C[C@H]1c1cncn1C	ZINC001131038412	940466412	/nfs/dbraw/zinc/46/64/12/940466412.db2.gz	QJZKGWSVVVEMCM-IAGOWNOFSA-N	1	0	356.474	1.557	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2cn(CC)nn2)C[C@H]1c1cncn1C	ZINC001131033728	940470117	/nfs/dbraw/zinc/47/01/17/940470117.db2.gz	TUPNODNZXYLMAX-IAGOWNOFSA-N	1	0	371.489	1.124	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cccnc2OC)C[C@H]1c1cncn1C	ZINC001131059653	940478805	/nfs/dbraw/zinc/47/88/05/940478805.db2.gz	CCYYNRFFSPXJBP-IAGOWNOFSA-N	1	0	369.469	1.988	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC[C@H](C)O)C1	ZINC001131051885	940480362	/nfs/dbraw/zinc/48/03/62/940480362.db2.gz	YTGMTIYMPSDNDN-RCCFBDPRSA-N	1	0	360.502	1.659	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cncnc2)C[C@H]1c1cncn1C	ZINC001131053809	940480660	/nfs/dbraw/zinc/48/06/60/940480660.db2.gz	BHCWVIMHVLXNLU-KBAYOESNSA-N	1	0	368.485	1.864	20	30		FDEDRO
C[NH+](C)CC1(CNC(=O)C(=O)NCc2cc(C#N)ccc2F)CCCC1	ZINC000807853439	940484055	/nfs/dbraw/zinc/48/40/55/940484055.db2.gz	IILXIAOFSYRZMH-UHFFFAOYSA-N	1	0	360.433	1.552	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1c1cncn1C	ZINC001131084251	940489267	/nfs/dbraw/zinc/48/92/67/940489267.db2.gz	OMIWEQOOEMJMNO-BZUAXINKSA-N	1	0	361.490	1.137	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C(C)C)C1	ZINC001131086295	940493456	/nfs/dbraw/zinc/49/34/56/940493456.db2.gz	KVNKPHBTRUDXLG-IXDOHACOSA-N	1	0	361.490	1.183	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cnc(C)s3)C2)C1=O	ZINC001086656957	940494593	/nfs/dbraw/zinc/49/45/93/940494593.db2.gz	ZONWGDOICNGIER-ZNMIVQPWSA-N	1	0	362.499	1.727	20	30		FDEDRO
CC[NH+](CC)[C@H](C(=O)N1C[C@@H](c2cncn2C)[C@H](NCC#N)C1)C(C)C	ZINC001131091835	940495872	/nfs/dbraw/zinc/49/58/72/940495872.db2.gz	RWLSHUYPTXSDFD-NUJGCVRESA-N	1	0	360.506	1.194	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCCC=C)C2)nc1	ZINC001131110460	940498166	/nfs/dbraw/zinc/49/81/66/940498166.db2.gz	OSSILEKDKIBUJP-IEBWSBKVSA-N	1	0	363.465	1.960	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)C)C[C@H]1c1cncn1C	ZINC001131112650	940498980	/nfs/dbraw/zinc/49/89/80/940498980.db2.gz	KRUARBLWPNGONU-RBSFLKMASA-N	1	0	361.490	1.041	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2nnn(C(C)C)c2C)C[C@H]1c1cncn1C	ZINC001131099824	940499569	/nfs/dbraw/zinc/49/95/69/940499569.db2.gz	XLQVCVUDKTULAV-HZPDHXFCSA-N	1	0	371.489	1.675	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2oc(CC)nc2C)C[C@H]1c1cncn1C	ZINC001131101279	940500341	/nfs/dbraw/zinc/50/03/41/940500341.db2.gz	RNGVUCGSYQJVFM-HUUCEWRRSA-N	1	0	355.442	1.500	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn3c2CCCC3)C[C@H]1c1cncn1C	ZINC001131103690	940501263	/nfs/dbraw/zinc/50/12/63/940501263.db2.gz	XKOLLGHKYXTDIG-IAGOWNOFSA-N	1	0	366.469	1.174	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@H]1c1cncn1C	ZINC001131106118	940501845	/nfs/dbraw/zinc/50/18/45/940501845.db2.gz	QCSMRYCOVRECFB-HZPDHXFCSA-N	1	0	370.501	1.971	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2oc(CCC)nc2C)C[C@H]1c1cncn1C	ZINC001131107849	940502464	/nfs/dbraw/zinc/50/24/64/940502464.db2.gz	CKTPIOJMDGEDQC-HZPDHXFCSA-N	1	0	369.469	1.890	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2ccccn2)C[C@H]1c1cncn1C	ZINC001131107866	940502519	/nfs/dbraw/zinc/50/25/19/940502519.db2.gz	DBQKVBXCUPVHIN-BRWVUGGUSA-N	1	0	369.469	1.743	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](OC)C2CCCC2)C[C@H]1c1cncn1C	ZINC001131115675	940503574	/nfs/dbraw/zinc/50/35/74/940503574.db2.gz	UEFCWBJDMKJBMQ-ZHALLVOQSA-N	1	0	358.486	1.533	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@H]1c1cncn1C	ZINC001131119440	940505134	/nfs/dbraw/zinc/50/51/34/940505134.db2.gz	BKZCSLMOSIQTQX-IAGOWNOFSA-N	1	0	369.469	1.132	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2C(C)C)C[C@H]1c1cncn1C	ZINC001131121127	940506549	/nfs/dbraw/zinc/50/65/49/940506549.db2.gz	NOAHFHDLAFXDFO-NVXWUHKLSA-N	1	0	368.485	1.498	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCOc2ccccc2)C[C@H]1c1cncn1C	ZINC001131123390	940506947	/nfs/dbraw/zinc/50/69/47/940506947.db2.gz	GIUDHCSJBWIFFF-QZTJIDSGSA-N	1	0	354.454	1.959	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CNC(=O)[C@@H](C)CC)C[C@H]1c1cncn1C	ZINC001131125384	940507808	/nfs/dbraw/zinc/50/78/08/940507808.db2.gz	BZSSWHSGXHCPRR-ARFHVFGLSA-N	1	0	361.490	1.043	20	30		FDEDRO
CCC(C)(CC)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CCOC)C1	ZINC001131125547	940507815	/nfs/dbraw/zinc/50/78/15/940507815.db2.gz	GMPAHLCHVOBUCF-IAGOWNOFSA-N	1	0	360.502	1.780	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1c1cncn1C	ZINC001131115269	940508782	/nfs/dbraw/zinc/50/87/82/940508782.db2.gz	HJZNCDKHCVKAEK-HUUCEWRRSA-N	1	0	353.898	1.398	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1c1cncn1C	ZINC001131130646	940511356	/nfs/dbraw/zinc/51/13/56/940511356.db2.gz	XCGHEMIQHSMLJC-BRWVUGGUSA-N	1	0	356.474	1.556	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCO)C2)CCCCC1	ZINC001131132850	940512755	/nfs/dbraw/zinc/51/27/55/940512755.db2.gz	VCRPXOYDKWTKRR-IAGOWNOFSA-N	1	0	358.486	1.270	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CC(F)(F)C(F)(F)F)C[C@H]1c1cncn1C	ZINC001131136216	940513320	/nfs/dbraw/zinc/51/33/20/940513320.db2.gz	BMUNCRZQNBAMTB-GHMZBOCLSA-N	1	0	364.318	1.525	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ncccc2OCC)C[C@H]1c1cncn1C	ZINC001131136473	940513503	/nfs/dbraw/zinc/51/35/03/940513503.db2.gz	OWYJXTOAZRKDLM-HZPDHXFCSA-N	1	0	369.469	1.988	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CNC(=O)C(CC)CC)C[C@H]1c1cncn1C	ZINC001131136696	940513665	/nfs/dbraw/zinc/51/36/65/940513665.db2.gz	ZOGSSKHLVWVSRF-HZPDHXFCSA-N	1	0	361.490	1.043	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(F)nc3)C2)C1=O	ZINC001086661248	940533591	/nfs/dbraw/zinc/53/35/91/940533591.db2.gz	GWSGOVSHKYXVIT-IMJJTQAJSA-N	1	0	360.433	1.496	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1=O	ZINC001131237724	940539698	/nfs/dbraw/zinc/53/96/98/940539698.db2.gz	ONJGVSIOWMUHPB-FVJLSDCUSA-N	1	0	369.465	1.220	20	30		FDEDRO
C[NH+](C)CCOc1ccc(/C=C\C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1	ZINC000808400415	940545557	/nfs/dbraw/zinc/54/55/57/940545557.db2.gz	LQISXJMKODZUSW-HIZXUYSRSA-N	1	0	368.481	1.839	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cn[nH]c2)C1	ZINC001131301312	940547214	/nfs/dbraw/zinc/54/72/14/940547214.db2.gz	RLHMQHMJGUVHGH-OAGGEKHMSA-N	1	0	359.430	1.095	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ccc[nH]2)C1	ZINC001131301587	940547291	/nfs/dbraw/zinc/54/72/91/940547291.db2.gz	WYCBOWLNKONALA-UAGQMJEPSA-N	1	0	358.442	1.700	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)COC(C)C)C1	ZINC001131304667	940548051	/nfs/dbraw/zinc/54/80/51/940548051.db2.gz	PQUGKBVKGAQZBL-BBWFWOEESA-N	1	0	365.474	1.484	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ccon2)C1	ZINC001131304865	940548186	/nfs/dbraw/zinc/54/81/86/940548186.db2.gz	WBYQJYMPVYZOCJ-BMFZPTHFSA-N	1	0	360.414	1.360	20	30		FDEDRO
CC/C=C/CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C#CC2CC2)C1	ZINC001131306919	940548802	/nfs/dbraw/zinc/54/88/02/940548802.db2.gz	CEYJRPPVCPEGGC-HNJZAVPNSA-N	1	0	371.481	1.862	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cc[nH]c2)C1	ZINC001131307111	940548850	/nfs/dbraw/zinc/54/88/50/940548850.db2.gz	JJOQNLOJSPLGJO-BBWFWOEESA-N	1	0	358.442	1.700	20	30		FDEDRO
C#CCC1(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[N@@H+](C(C)C)C[C@H]43)C2)CCC1	ZINC001131310224	940550006	/nfs/dbraw/zinc/55/00/06/940550006.db2.gz	MCPIZNBRWQBTTA-ZACQAIPSSA-N	1	0	359.470	1.694	20	30		FDEDRO
C=C(C)CN1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1	ZINC001131316750	940551016	/nfs/dbraw/zinc/55/10/16/940551016.db2.gz	ULPIWZQMUJCPME-ZACQAIPSSA-N	1	0	364.490	1.010	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2=COCCO2)CC1	ZINC001131410652	940565956	/nfs/dbraw/zinc/56/59/56/940565956.db2.gz	HTYPPADUAOTUJG-AEFFLSMTSA-N	1	0	350.459	1.827	20	30		FDEDRO
CC(C)c1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n1C	ZINC001086668329	940566035	/nfs/dbraw/zinc/56/60/35/940566035.db2.gz	MVMZSSCEMPHJEW-DZGCQCFKSA-N	1	0	369.473	1.827	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC=CCC2)CC1	ZINC001131416500	940567621	/nfs/dbraw/zinc/56/76/21/940567621.db2.gz	HYXPIZCZDSCJEO-ZCNNSNEGSA-N	1	0	360.498	1.978	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2cnnn2)CC1	ZINC001131416938	940567690	/nfs/dbraw/zinc/56/76/90/940567690.db2.gz	RNPXPRLVBDRTRV-LESCRADOSA-N	1	0	362.478	1.014	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ncoc2C)CC1	ZINC001131439517	940588855	/nfs/dbraw/zinc/58/88/55/940588855.db2.gz	KIDYXRLQKUTHCS-AEFFLSMTSA-N	1	0	363.458	1.785	20	30		FDEDRO
Cc1cc(C)n(CC[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n1	ZINC001086669087	940596415	/nfs/dbraw/zinc/59/64/15/940596415.db2.gz	NTQBUAVDTQMWCM-DOTOQJQBSA-N	1	0	354.458	1.888	20	30		FDEDRO
C=CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H]2CCN(CC)C2=O)CC1	ZINC001131448831	940602842	/nfs/dbraw/zinc/60/28/42/940602842.db2.gz	SVQVRBLNQIABKZ-AOIWGVFYSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCC(=O)NCC)CC1	ZINC001131451017	940604075	/nfs/dbraw/zinc/60/40/75/940604075.db2.gz	DBKOXFVODDJTBA-QAPCUYQASA-N	1	0	371.909	1.641	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)CCC)CC1	ZINC001131455976	940609934	/nfs/dbraw/zinc/60/99/34/940609934.db2.gz	GYTQNGQKLNNFMY-WDYCEAGBSA-N	1	0	363.502	1.158	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)CC)CC1	ZINC001131456254	940610324	/nfs/dbraw/zinc/61/03/24/940610324.db2.gz	MPJCYEJDNLIFFG-APWZRJJASA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)CCC)CC1	ZINC001131456577	940611037	/nfs/dbraw/zinc/61/10/37/940611037.db2.gz	UVSNHOKBHWXRNT-WDYCEAGBSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2ocnc2C)CC1	ZINC001131461038	940615146	/nfs/dbraw/zinc/61/51/46/940615146.db2.gz	BPSQBFYQXPLJFV-APWZRJJASA-N	1	0	363.458	1.671	20	30		FDEDRO
C=CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N2CCCC2)CC1	ZINC001131445249	940616529	/nfs/dbraw/zinc/61/65/29/940616529.db2.gz	PPWFGNRHAIOKCC-XLIONFOSSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOC(C)C)CC1	ZINC001131464198	940621767	/nfs/dbraw/zinc/62/17/67/940621767.db2.gz	HOTXXSRUFYLLDY-MJGOQNOKSA-N	1	0	354.491	1.600	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC2OCCCO2)CC1	ZINC001131478738	940634788	/nfs/dbraw/zinc/63/47/88/940634788.db2.gz	HWDRCTJVYNRNJE-APWZRJJASA-N	1	0	350.459	1.149	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2[nH]ccc2C)CC1	ZINC001131483353	940638879	/nfs/dbraw/zinc/63/88/79/940638879.db2.gz	ZRJYEPUHTKQQKT-MJGOQNOKSA-N	1	0	359.470	1.572	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCc3n[nH]cc32)CC1	ZINC001131495762	940647099	/nfs/dbraw/zinc/64/70/99/940647099.db2.gz	DCRIGYIZMNAFOG-AHRSYUTCSA-N	1	0	370.497	1.839	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCc3cn[nH]c32)CC1	ZINC001131496131	940647531	/nfs/dbraw/zinc/64/75/31/940647531.db2.gz	QFZLZYVPTYREDW-GGPKGHCWSA-N	1	0	370.497	1.839	20	30		FDEDRO
C#CCOCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCC=C)CC1	ZINC001131498491	940648581	/nfs/dbraw/zinc/64/85/81/940648581.db2.gz	BIOHCVSYRWADHY-QUCCMNQESA-N	1	0	364.486	1.215	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC#CC)CC1	ZINC001131500371	940651209	/nfs/dbraw/zinc/65/12/09/940651209.db2.gz	UJKWVSCBSCHQNP-ZRNYENFQSA-N	1	0	360.498	1.977	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2ccnn2C)CC1	ZINC001131506616	940668608	/nfs/dbraw/zinc/66/86/08/940668608.db2.gz	HLIINSBBKBOXFN-QUCCMNQESA-N	1	0	360.502	1.915	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)NC(=O)CC)CC1	ZINC001131506909	940669474	/nfs/dbraw/zinc/66/94/74/940669474.db2.gz	VXMGDDHWWFSGTJ-KYJSFNMBSA-N	1	0	351.491	1.463	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)C(=O)C(C)C)CC1	ZINC001131515474	940680270	/nfs/dbraw/zinc/68/02/70/940680270.db2.gz	MQDNMXQKWCWJTN-MJGOQNOKSA-N	1	0	363.502	1.110	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c(C)[nH]nc2Cl)CC1	ZINC001131517038	940683800	/nfs/dbraw/zinc/68/38/00/940683800.db2.gz	GZJWGOLYZPOJGS-ZBFHGGJFSA-N	1	0	364.877	1.994	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccnc3ccnn32)CC1	ZINC001131512254	940694598	/nfs/dbraw/zinc/69/45/98/940694598.db2.gz	VTKSVANKBZHNEQ-APWZRJJASA-N	1	0	369.469	1.905	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccnc3ccnn32)CC1	ZINC001131512271	940694650	/nfs/dbraw/zinc/69/46/50/940694650.db2.gz	WFKPCQDXWUUBAF-APWZRJJASA-N	1	0	367.453	1.352	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)COC)CC1	ZINC001131533844	940705130	/nfs/dbraw/zinc/70/51/30/940705130.db2.gz	WOUGRVKFRAJTGJ-MSOLQXFVSA-N	1	0	368.518	1.847	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCn3ccnc3C2)CC1	ZINC001131522335	940705384	/nfs/dbraw/zinc/70/53/84/940705384.db2.gz	CPVGNAKJIRSJGZ-GGPKGHCWSA-N	1	0	370.497	1.455	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2coc(OCC)n2)CC1	ZINC001131526513	940711480	/nfs/dbraw/zinc/71/14/80/940711480.db2.gz	XBJJREPYNXJWNU-WBVHZDCISA-N	1	0	361.442	1.696	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NC(C)C)CC1	ZINC001131545994	940721737	/nfs/dbraw/zinc/72/17/37/940721737.db2.gz	KKPAHVJGRINFRP-AEFFLSMTSA-N	1	0	365.518	1.709	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2coc(C(N)=O)c2)CC1	ZINC001131536464	940725729	/nfs/dbraw/zinc/72/57/29/940725729.db2.gz	YVXHFGJISLGRFS-WBVHZDCISA-N	1	0	359.426	1.001	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(CC)CC2)CC1	ZINC001131562125	940735974	/nfs/dbraw/zinc/73/59/74/940735974.db2.gz	LNHFOHWWIBSOAZ-AEFFLSMTSA-N	1	0	363.502	1.465	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCOC)CC2)c1	ZINC001131562548	940736386	/nfs/dbraw/zinc/73/63/86/940736386.db2.gz	YHEVAYIVWSQOSC-MOPGFXCFSA-N	1	0	357.454	1.309	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCN(C)C2=O)CC1	ZINC001131547799	940736876	/nfs/dbraw/zinc/73/68/76/940736876.db2.gz	CZGICVVQTLQZKM-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnc3n2CCCC3)CC1	ZINC001131550487	940739005	/nfs/dbraw/zinc/73/90/05/940739005.db2.gz	WHRFBVVZRDKRJU-XLIONFOSSA-N	1	0	370.497	1.842	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2nccn3ccnc23)CC1	ZINC001131568137	940743740	/nfs/dbraw/zinc/74/37/40/940743740.db2.gz	XVIDPCFTCUVTNZ-AEFFLSMTSA-N	1	0	367.453	1.352	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC(=O)N(C)C)CC1	ZINC001131575429	940752492	/nfs/dbraw/zinc/75/24/92/940752492.db2.gz	XLMQBMMWNFPKMG-APWZRJJASA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COC2CCOCC2)CC1	ZINC001131575456	940752560	/nfs/dbraw/zinc/75/25/60/940752560.db2.gz	YZROTCINQWCQRJ-QUCCMNQESA-N	1	0	366.502	1.744	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCc2ccncc2)CC1	ZINC001131585290	940771291	/nfs/dbraw/zinc/77/12/91/940771291.db2.gz	RNRNKJAUPYBXND-CTNGQTDRSA-N	1	0	371.481	1.607	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1	ZINC000747547721	940782731	/nfs/dbraw/zinc/78/27/31/940782731.db2.gz	PRSQTEUTZRIBAU-UHFFFAOYSA-N	1	0	352.398	1.261	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCC(=O)N(C)C)CC1	ZINC001131599546	940783205	/nfs/dbraw/zinc/78/32/05/940783205.db2.gz	DOGIGQLTPPYLGA-APWZRJJASA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CCCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H](CC)OC)CC1	ZINC001131610365	940790404	/nfs/dbraw/zinc/79/04/04/940790404.db2.gz	NHXWXQBEQWABRM-NSHGMRRFSA-N	1	0	368.518	1.990	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCOCCOC)CC1	ZINC001131610547	940790483	/nfs/dbraw/zinc/79/04/83/940790483.db2.gz	WBWOIZPDKYYCBK-MJGOQNOKSA-N	1	0	352.475	1.049	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](CCCC)NC(N)=O)CC1	ZINC001131610512	940790521	/nfs/dbraw/zinc/79/05/21/940790521.db2.gz	UVVBXRUIDNOXHI-IKGGRYGDSA-N	1	0	366.506	1.385	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCO1	ZINC000809310448	940814755	/nfs/dbraw/zinc/81/47/55/940814755.db2.gz	JLYYKOPKKAPPOH-CEXWTWQISA-N	1	0	369.465	1.016	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)C1	ZINC000809502950	940845335	/nfs/dbraw/zinc/84/53/35/940845335.db2.gz	SLSWYYXFLIXDIE-OAHLLOKOSA-N	1	0	358.442	1.031	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C)C(=O)N(C)CCC#N	ZINC000809562174	940857046	/nfs/dbraw/zinc/85/70/46/940857046.db2.gz	IBHCCFOZTGCBHK-SOUVJXGZSA-N	1	0	352.479	1.982	20	30		FDEDRO
Cn1cc(Cl)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1	ZINC001086676240	940932790	/nfs/dbraw/zinc/93/27/90/940932790.db2.gz	JRPKLGIVBBXNBF-NWDGAFQWSA-N	1	0	360.849	1.962	20	30		FDEDRO
CCc1nc(C#N)cc(N(CC(C)(C)[NH3+])S(=O)(=O)c2ccccc2)n1	ZINC001170600179	940963797	/nfs/dbraw/zinc/96/37/97/940963797.db2.gz	OQYISBWUHYHJKX-UHFFFAOYSA-N	1	0	359.455	1.843	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3c(C)ccn3C)C2)C1=O	ZINC001086681566	941032661	/nfs/dbraw/zinc/03/26/61/941032661.db2.gz	WBYLZIDWPYXHFY-GVDBMIGSSA-N	1	0	358.486	1.609	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3COC(=O)N3)C2)cc1F	ZINC001086686336	941072300	/nfs/dbraw/zinc/07/23/00/941072300.db2.gz	QMYZMGFZTZEPJY-PEYYIBSZSA-N	1	0	360.389	1.180	20	30		FDEDRO
CCn1ncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)n1	ZINC001086690244	941099042	/nfs/dbraw/zinc/09/90/42/941099042.db2.gz	BJLBCXORZHQKAI-DLBZAZTESA-N	1	0	352.442	1.858	20	30		FDEDRO
CCn1ncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)n1	ZINC001086690557	941099924	/nfs/dbraw/zinc/09/99/24/941099924.db2.gz	RDWZBWRBRQMIRS-GOEBONIOSA-N	1	0	370.432	1.997	20	30		FDEDRO
Cc1nc(N2C[C@@H](O)[C@H](NC(=O)CC3([NH+](C)C)CCCC3)C2)ccc1C#N	ZINC001090504929	941113077	/nfs/dbraw/zinc/11/30/77/941113077.db2.gz	GJTYHYGJDXTNFD-IAGOWNOFSA-N	1	0	371.485	1.192	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)OCC(=O)N(CCC#N)CCC#N)C1	ZINC000811446015	941132761	/nfs/dbraw/zinc/13/27/61/941132761.db2.gz	BRZCAMRLIUSLPD-QGZVFWFLSA-N	1	0	352.410	1.398	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(=O)N(C)Cc2ccc(OCC)cc2)CC1	ZINC000747823211	941284357	/nfs/dbraw/zinc/28/43/57/941284357.db2.gz	PHTDVIXBPXYTHN-UHFFFAOYSA-N	1	0	371.481	1.505	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)CC1	ZINC000747825253	941287834	/nfs/dbraw/zinc/28/78/34/941287834.db2.gz	VURQYYWMYGLUOD-HUUCEWRRSA-N	1	0	359.445	1.853	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F	ZINC001133629020	941339881	/nfs/dbraw/zinc/33/98/81/941339881.db2.gz	JVUUAALWJTUOMY-YNEHKIRRSA-N	1	0	351.397	1.465	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cnn4c3CCC4)C2)C1=O	ZINC001086712908	941423613	/nfs/dbraw/zinc/42/36/13/941423613.db2.gz	DKCVCWMGXJZJEH-UXLLHSPISA-N	1	0	371.485	1.104	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)Nc1ccc(C)c(C)c1	ZINC001134061714	941540476	/nfs/dbraw/zinc/54/04/76/941540476.db2.gz	FLUCKYDKIGYJGF-NXHRZFHOSA-N	1	0	359.470	1.927	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)N1CCc2ccccc21	ZINC001134061964	941540857	/nfs/dbraw/zinc/54/08/57/941540857.db2.gz	LOKMXTNQHSRMEM-LESCRADOSA-N	1	0	357.454	1.261	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NCc1ccccc1C	ZINC001134062366	941541302	/nfs/dbraw/zinc/54/13/02/941541302.db2.gz	YKAXEZRMQXTNPF-JQHSSLGASA-N	1	0	359.470	1.297	20	30		FDEDRO
CC(N=Nc1ccc(S(=O)(=O)NC2CC2)cn1)C1CC[NH+](C)CC1	ZINC000814799817	941722638	/nfs/dbraw/zinc/72/26/38/941722638.db2.gz	RNIXRZACMXOHBC-UHFFFAOYSA-N	1	0	351.476	1.652	20	30		FDEDRO
CN(C)c1ncc(C=[NH+][N-]c2ccc(S(=O)(=O)C(F)F)cc2)cn1	ZINC000814828399	941727080	/nfs/dbraw/zinc/72/70/80/941727080.db2.gz	AQQSIKXWMCONBS-UHFFFAOYSA-N	1	0	355.370	1.985	20	30		FDEDRO
COc1ccc2c(c1OC)OCC2=NNC(=S)NCCC[NH+](C)C	ZINC000814845736	941730238	/nfs/dbraw/zinc/73/02/38/941730238.db2.gz	UHGXBSYSAXYJLD-UHFFFAOYSA-N	1	0	352.460	1.216	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1	ZINC000815082665	941777141	/nfs/dbraw/zinc/77/71/41/941777141.db2.gz	CTRNUKUDPXXJSF-UHFFFAOYSA-N	1	0	350.362	1.819	20	30		FDEDRO
C#CCNC(=O)CC[N@@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1	ZINC000815116573	941780653	/nfs/dbraw/zinc/78/06/53/941780653.db2.gz	VDWMOOACYFJEPC-IBGZPJMESA-N	1	0	355.482	1.729	20	30		FDEDRO
C[N@@H+]1CCC[C@@]2(CCN(Cc3nc4ccccc4c(=O)n3CC#N)C2)C1	ZINC000815146502	941793061	/nfs/dbraw/zinc/79/30/61/941793061.db2.gz	QWSGYTVMWUMESF-HXUWFJFHSA-N	1	0	351.454	1.838	20	30		FDEDRO
C[N@@H+]1CCC[C@]2(CCN(Cc3nc4ccccc4c(=O)n3CC#N)C2)C1	ZINC000815146498	941793149	/nfs/dbraw/zinc/79/31/49/941793149.db2.gz	QWSGYTVMWUMESF-FQEVSTJZSA-N	1	0	351.454	1.838	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N(C)c1nccs1	ZINC001135067594	941883149	/nfs/dbraw/zinc/88/31/49/941883149.db2.gz	CLUTZGWCSIVVHL-ZFWWWQNUSA-N	1	0	366.487	1.183	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cnc[nH]c3=O)C2)c1	ZINC001086728321	941892145	/nfs/dbraw/zinc/89/21/45/941892145.db2.gz	YAGGAIGQXQAOJB-JKSUJKDBSA-N	1	0	351.410	1.742	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)N1CCc2ccccc21	ZINC001135145236	941929193	/nfs/dbraw/zinc/92/91/93/941929193.db2.gz	DAPAVINHSBTIRY-IEZWGBDMSA-N	1	0	371.481	1.651	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1cccc(Cl)c1	ZINC001135147626	941934443	/nfs/dbraw/zinc/93/44/43/941934443.db2.gz	OZNVQKSQCAIXCD-RDJZCZTQSA-N	1	0	365.861	1.966	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccc(C)c(F)c1	ZINC001135147918	941935005	/nfs/dbraw/zinc/93/50/05/941935005.db2.gz	SXJSSUHOIPEKRE-YJBOKZPZSA-N	1	0	363.433	1.760	20	30		FDEDRO
C=CCC(F)(F)C(=O)N(CC[NH+](CC)CC)[C@@H]1CCS(=O)(=O)C1	ZINC000815874989	941992679	/nfs/dbraw/zinc/99/26/79/941992679.db2.gz	ABPICBHDKVPTMS-CYBMUJFWSA-N	1	0	352.447	1.555	20	30		FDEDRO
CN1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)CC1=O	ZINC001086735022	942095799	/nfs/dbraw/zinc/09/57/99/942095799.db2.gz	DCMJRUYYKGJUHM-IPMKNSEASA-N	1	0	368.481	1.801	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccnc(OC)n2)C1	ZINC001086754926	942320587	/nfs/dbraw/zinc/32/05/87/942320587.db2.gz	SBXVWEFJHFJNMJ-NWDGAFQWSA-N	1	0	369.263	1.882	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1	ZINC001086768420	942444320	/nfs/dbraw/zinc/44/43/20/942444320.db2.gz	GVMIKMUMSAEBBK-XUWVNRHRSA-N	1	0	357.882	1.249	20	30		FDEDRO
CN1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1=O	ZINC001086781655	942484281	/nfs/dbraw/zinc/48/42/81/942484281.db2.gz	XARPQNIVVPANRT-RCCFBDPRSA-N	1	0	354.454	1.411	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@H+]2C[C@@H](C(=O)OC(C)(C)C)CC[C@H]2C)CC1	ZINC000817279677	942655612	/nfs/dbraw/zinc/65/56/12/942655612.db2.gz	SHJFIWXWGWNCJE-SJORKVTESA-N	1	0	363.502	1.206	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1	ZINC001086802481	942709879	/nfs/dbraw/zinc/70/98/79/942709879.db2.gz	KDUUGPRICIHPRN-YJNKXOJESA-N	1	0	357.882	1.249	20	30		FDEDRO
CN(C[C@@H]1CCC[N@@H+]1C)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O	ZINC000817373464	942726828	/nfs/dbraw/zinc/72/68/28/942726828.db2.gz	OBGXZXOOOHSKAD-LPHOPBHVSA-N	1	0	355.442	1.309	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)s1	ZINC001086804775	942788414	/nfs/dbraw/zinc/78/84/14/942788414.db2.gz	FYINFONUPOFVPG-LJISPDSOSA-N	1	0	374.510	1.896	20	30		FDEDRO
C[C@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1C[C@H]1CC(C)(C)C	ZINC001170872190	942815926	/nfs/dbraw/zinc/81/59/26/942815926.db2.gz	VYABQMKDNGADDA-OWCLPIDISA-N	1	0	350.507	1.963	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)NC2CCC([NH+](C)C)CC2)cc1	ZINC000817658593	942866165	/nfs/dbraw/zinc/86/61/65/942866165.db2.gz	FHVHTKCDJCSVOS-UHFFFAOYSA-N	1	0	363.483	1.201	20	30		FDEDRO
CCN1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C#N)C(C)(C)C1	ZINC001195446257	970944283	/nfs/dbraw/zinc/94/42/83/970944283.db2.gz	CIVKEXRQFMMTJG-CQSZACIVSA-N	1	0	352.416	1.475	20	30		FDEDRO
C=CCCN(OCc1ccccc1)C(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1	ZINC000817986493	943119460	/nfs/dbraw/zinc/11/94/60/943119460.db2.gz	QNLRTDREAUZRJD-WBVHZDCISA-N	1	0	361.442	1.098	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[N@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1O	ZINC001195467687	970971153	/nfs/dbraw/zinc/97/11/53/970971153.db2.gz	SIKLBAHZJNBMIA-WOJBJXKFSA-N	1	0	366.465	1.727	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000818589193	943297608	/nfs/dbraw/zinc/29/76/08/943297608.db2.gz	UEHKGCJRGIBGMF-UHFFFAOYSA-N	1	0	366.506	1.047	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000818611962	943301800	/nfs/dbraw/zinc/30/18/00/943301800.db2.gz	JJPSSRWDCKZXNP-UHFFFAOYSA-N	1	0	363.483	1.156	20	30		FDEDRO
CNS(=O)(=O)Cc1ccc(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)cc1	ZINC000818944156	943355425	/nfs/dbraw/zinc/35/54/25/943355425.db2.gz	HTGQMKUKWUFXAU-SFHVURJKSA-N	1	0	359.451	1.431	20	30		FDEDRO
COc1ccccc1[C@H](NC[C@H](O)CN(C)CCC#N)c1nccn1C	ZINC000818946654	943356621	/nfs/dbraw/zinc/35/66/21/943356621.db2.gz	SJAXVXGDSBJZCQ-YJBOKZPZSA-N	1	0	357.458	1.314	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]CCCNC(=O)c1ccc(Br)cc1	ZINC000819001652	943379473	/nfs/dbraw/zinc/37/94/73/943379473.db2.gz	OTGLASGWCJBDHH-UHFFFAOYSA-N	1	0	366.259	1.298	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3conc3CC)C2)nn1	ZINC001086822928	943382840	/nfs/dbraw/zinc/38/28/40/943382840.db2.gz	DVIBRIOHPYULMD-DZGCQCFKSA-N	1	0	358.446	1.703	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc(C)s3)C2)nn1	ZINC001086823270	943385162	/nfs/dbraw/zinc/38/51/62/943385162.db2.gz	VJVCTZWGJZAYKP-QWHCGFSZSA-N	1	0	361.475	1.312	20	30		FDEDRO
O=C(NCC[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)C1N=CC=CC1=O	ZINC000819050889	943395186	/nfs/dbraw/zinc/39/51/86/943395186.db2.gz	XNQGCKCFRMTPLO-PQDJCJPTSA-N	1	0	353.781	1.629	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+]C2COC(C)(C)OC2)c(OC)c1	ZINC000819226508	943497869	/nfs/dbraw/zinc/49/78/69/943497869.db2.gz	SCZOWEGVXVCYKL-INIZCTEOSA-N	1	0	351.443	1.905	20	30		FDEDRO
C#CCN(C)CCC[NH2+]C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000819335301	943531027	/nfs/dbraw/zinc/53/10/27/943531027.db2.gz	VQAIBQIZAIIRRV-KRWDZBQOSA-N	1	0	353.507	1.539	20	30		FDEDRO
C#CCN(C)CCC[NH2+]C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)CC1	ZINC000819334341	943531232	/nfs/dbraw/zinc/53/12/32/943531232.db2.gz	GWRLQQMQOKVSTF-LJQANCHMSA-N	1	0	353.507	1.683	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)nc1	ZINC000819312417	943544477	/nfs/dbraw/zinc/54/44/77/943544477.db2.gz	RWZFVTZGJVYFPJ-INIZCTEOSA-N	1	0	352.394	1.367	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O	ZINC001195554108	971004067	/nfs/dbraw/zinc/00/40/67/971004067.db2.gz	CIFRGZQMIMGNHE-MGPQQGTHSA-N	1	0	352.397	1.719	20	30		FDEDRO
C=CCn1cc(C[NH2+]C[C@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)nn1	ZINC000819382685	943565890	/nfs/dbraw/zinc/56/58/90/943565890.db2.gz	QHOXTYKBZGXIQL-INIZCTEOSA-N	1	0	365.478	1.562	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCC[NH+]1CCC(O)CC1	ZINC000819559354	943647468	/nfs/dbraw/zinc/64/74/68/943647468.db2.gz	MKPRPKDQZLJUQC-OAHLLOKOSA-N	1	0	368.478	1.146	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)NC(C)(C)C[N@@H+](C)CCC)c1	ZINC000856283224	971030453	/nfs/dbraw/zinc/03/04/53/971030453.db2.gz	RLDYZEUJXQEVRQ-UHFFFAOYSA-N	1	0	365.499	1.448	20	30		FDEDRO
CCOC(=O)CNC(=S)NC1CCN(Cc2ccccc2C#N)CC1	ZINC001195577912	971047920	/nfs/dbraw/zinc/04/79/20/971047920.db2.gz	HHOSLHNEPLASTP-UHFFFAOYSA-N	1	0	360.483	1.550	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)ccc1F	ZINC000820503943	944089894	/nfs/dbraw/zinc/08/98/94/944089894.db2.gz	OTNAXZSYQIEHIY-WFASDCNBSA-N	1	0	369.462	1.455	20	30		FDEDRO
CON=C(C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1csc(N)n1	ZINC000821124628	944346929	/nfs/dbraw/zinc/34/69/29/944346929.db2.gz	BCRWTSNVNGEENE-FZMZJTMJSA-N	1	0	363.487	1.551	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)s1	ZINC000821479995	944528406	/nfs/dbraw/zinc/52/84/06/944528406.db2.gz	AOFXAAUMAYNUJO-CHWSQXEVSA-N	1	0	371.528	1.306	20	30		FDEDRO
COC(=O)N1CCC(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1	ZINC000822475930	945017183	/nfs/dbraw/zinc/01/71/83/945017183.db2.gz	RXPJAFQXUMTLRZ-UHFFFAOYSA-N	1	0	372.469	1.927	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)c1ccncc1	ZINC000805808931	945379064	/nfs/dbraw/zinc/37/90/64/945379064.db2.gz	YWRXRDNLFSMDGU-FGTMMUONSA-N	1	0	356.470	1.758	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CC[NH+](C)CC1)N(C(=O)OC(C)(C)C)C1CC1	ZINC000823157386	945494523	/nfs/dbraw/zinc/49/45/23/945494523.db2.gz	RUHUOVHGNPYUTH-ZDUSSCGKSA-N	1	0	350.463	1.879	20	30		FDEDRO
C#CC[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2)C(=O)OC	ZINC000823518603	945825596	/nfs/dbraw/zinc/82/55/96/945825596.db2.gz	FMWSRVBFMXTDDU-LQWHRVPQSA-N	1	0	370.449	1.206	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)N2CC[NH+](C(C)(C)COC)CC2)cc1	ZINC000823674384	945906061	/nfs/dbraw/zinc/90/60/61/945906061.db2.gz	SMRPKLZXHHOPBS-UHFFFAOYSA-N	1	0	359.470	1.951	20	30		FDEDRO
C#CCN(CC(=O)N1CCC[N@@H+](CCOC)CC1)C(=O)OC(C)(C)C	ZINC000823687800	945912085	/nfs/dbraw/zinc/91/20/85/945912085.db2.gz	UWDIQUKIVIFQDU-UHFFFAOYSA-N	1	0	353.463	1.037	20	30		FDEDRO
C=CC1(CC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CN(C(=O)OC(C)(C)C)C1	ZINC000824297302	946322680	/nfs/dbraw/zinc/32/26/80/946322680.db2.gz	BQYBTPNRMFOENQ-LSDHHAIUSA-N	1	0	365.474	1.077	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1C	ZINC001090778532	946570362	/nfs/dbraw/zinc/57/03/62/946570362.db2.gz	ZCQWFBOSVDZDCT-DAXOMENPSA-N	1	0	365.428	1.713	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H](C)[C@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)C2)n1	ZINC001090780713	946577288	/nfs/dbraw/zinc/57/72/88/946577288.db2.gz	OASQVTLSXSXYGZ-CDHAZOANSA-N	1	0	356.474	1.192	20	30		FDEDRO
C#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1	ZINC001573283832	946726585	/nfs/dbraw/zinc/72/65/85/946726585.db2.gz	WCTYPKIWJVIRHV-KBPBESRZSA-N	1	0	353.430	1.002	20	30		FDEDRO
C#CCCCCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573284348	946742293	/nfs/dbraw/zinc/74/22/93/946742293.db2.gz	ZTGCRFMLGBQGTL-INIZCTEOSA-N	1	0	352.442	1.751	20	30		FDEDRO
C#CCCCC(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C	ZINC001573285581	946783779	/nfs/dbraw/zinc/78/37/79/946783779.db2.gz	ZQNAJTNGXLOKTH-RHSMWYFYSA-N	1	0	352.442	1.749	20	30		FDEDRO
C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cccc(-c2nn[nH]n2)c1	ZINC000824598791	946848527	/nfs/dbraw/zinc/84/85/27/946848527.db2.gz	IWEJAAAWHRPOAT-ISOHDOPZSA-N	1	0	353.386	1.044	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)cc1	ZINC001573290886	946912724	/nfs/dbraw/zinc/91/27/24/946912724.db2.gz	SDZYRRZVPLVXTB-WGSAOQKQSA-N	1	0	372.432	1.899	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1	ZINC000824981430	946921153	/nfs/dbraw/zinc/92/11/53/946921153.db2.gz	VGRASIGXFCAJQF-ROUUACIJSA-N	1	0	359.470	1.414	20	30		FDEDRO
C=C(Br)C[NH2+][C@H](CC)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573291565	946922280	/nfs/dbraw/zinc/92/22/80/946922280.db2.gz	FWRZDJWTKKPNQD-SNVBAGLBSA-N	1	0	368.239	1.201	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H](CC)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573292576	946936514	/nfs/dbraw/zinc/93/65/14/946936514.db2.gz	XZUAKCGPLBBFCV-JTQLQIEISA-N	1	0	368.239	1.201	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C[C@@H](O)CC(F)(F)F)C[C@H]2O)CC1	ZINC001195877234	971301642	/nfs/dbraw/zinc/30/16/42/971301642.db2.gz	XWAFQRXQFFBPNG-BFHYXJOUSA-N	1	0	350.381	1.207	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)CC(C)(C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1	ZINC001573560686	946955612	/nfs/dbraw/zinc/95/56/12/946955612.db2.gz	FKWIHWAZZIMWFS-LBPRGKRZSA-N	1	0	373.436	1.740	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1	ZINC001573561413	946962383	/nfs/dbraw/zinc/96/23/83/946962383.db2.gz	KNOPNCOFFGJFDC-LLVKDONJSA-N	1	0	359.459	1.511	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C1CC1	ZINC001573562744	946978395	/nfs/dbraw/zinc/97/83/95/946978395.db2.gz	XCLYKXZFAGHFGG-ZBEGNZNMSA-N	1	0	371.420	1.492	20	30		FDEDRO
C=C(Cl)C[NH+]1CCC(C)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1	ZINC001573294576	946993317	/nfs/dbraw/zinc/99/33/17/946993317.db2.gz	CXTUTPFLXMCMTL-UHFFFAOYSA-N	1	0	363.853	1.779	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1	ZINC001573294741	946996617	/nfs/dbraw/zinc/99/66/17/946996617.db2.gz	KIHHFSVCAPMHER-UHFFFAOYSA-N	1	0	356.430	1.354	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)C1	ZINC001573565409	947008866	/nfs/dbraw/zinc/00/88/66/947008866.db2.gz	QTHOBXBTPNBOPZ-VXGBXAGGSA-N	1	0	359.459	1.368	20	30		FDEDRO
C=C1CCC(C(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CCC2)CC1	ZINC001573295271	947012336	/nfs/dbraw/zinc/01/23/36/947012336.db2.gz	CGDQQWSRCWPOFX-UHFFFAOYSA-N	1	0	367.457	1.881	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@@]2(C)C1	ZINC001573569577	947074246	/nfs/dbraw/zinc/07/42/46/947074246.db2.gz	BOLKBAYGIFLCIB-QFSBIZTOSA-N	1	0	371.470	1.368	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@H](C)[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1	ZINC001573299674	947100048	/nfs/dbraw/zinc/10/00/48/947100048.db2.gz	KVQHOUNRLNBFOW-BLLLJJGKSA-N	1	0	355.446	1.607	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)C(C)(C)C	ZINC001573572483	947114732	/nfs/dbraw/zinc/11/47/32/947114732.db2.gz	IUHURBMVCHSJLZ-IUODEOHRSA-N	1	0	355.446	1.647	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573576249	947150361	/nfs/dbraw/zinc/15/03/61/947150361.db2.gz	FRKQMPHUNFMVPC-YOEHRIQHSA-N	1	0	367.457	1.887	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573576835	947157506	/nfs/dbraw/zinc/15/75/06/947157506.db2.gz	KDCREHYXFWSMJX-QFWMXSHPSA-N	1	0	357.393	1.150	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@H](C)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573309707	947207431	/nfs/dbraw/zinc/20/74/31/947207431.db2.gz	NFOWKYQAJWXCEV-ACJLOTCBSA-N	1	0	358.446	1.130	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1	ZINC001573584346	947218231	/nfs/dbraw/zinc/21/82/31/947218231.db2.gz	UVLJOXXOSOMYOH-LBPRGKRZSA-N	1	0	373.486	1.806	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)NC2(c3cccc(C#N)c3)CCOCC2)CC1	ZINC000825393709	947219562	/nfs/dbraw/zinc/21/95/62/947219562.db2.gz	XECJVQSMWZTLRC-UHFFFAOYSA-N	1	0	357.454	1.791	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1C	ZINC001573584424	947221141	/nfs/dbraw/zinc/22/11/41/947221141.db2.gz	VRORBCOHUWEVIU-UMVBOHGHSA-N	1	0	353.430	1.210	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1	ZINC001573584619	947230766	/nfs/dbraw/zinc/23/07/66/947230766.db2.gz	ZMYILQJNTRGJEK-CZUORRHYSA-N	1	0	353.430	1.497	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)[C@@H]1C	ZINC001573585320	947253443	/nfs/dbraw/zinc/25/34/43/947253443.db2.gz	OKVSJRQUHDRNLC-RWSFTLGLSA-N	1	0	357.393	1.244	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1	ZINC000825516718	947295519	/nfs/dbraw/zinc/29/55/19/947295519.db2.gz	ZUXPSQUDBQRRHQ-HNNXBMFYSA-N	1	0	362.495	1.655	20	30		FDEDRO
C=CCC1(C(=O)NC[C@@H](C)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CCC1	ZINC001573326564	947375328	/nfs/dbraw/zinc/37/53/28/947375328.db2.gz	QSBOPUDOHHCCII-CYBMUJFWSA-N	1	0	355.446	1.655	20	30		FDEDRO
C=CCCC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C12CCC2	ZINC001573327327	947385692	/nfs/dbraw/zinc/38/56/92/947385692.db2.gz	CFMCAIJTSQFVLT-CABCVRRESA-N	1	0	353.430	1.489	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C)[C@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573327988	947402079	/nfs/dbraw/zinc/40/20/79/947402079.db2.gz	PFPRVGNYTQYCMJ-ZIAGYGMSSA-N	1	0	355.446	1.546	20	30		FDEDRO
C=CCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1	ZINC001573330182	947432944	/nfs/dbraw/zinc/43/29/44/947432944.db2.gz	VEBDFDDOKFSMGW-OAHLLOKOSA-N	1	0	370.457	1.874	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]21	ZINC001573335465	947480420	/nfs/dbraw/zinc/48/04/20/947480420.db2.gz	ORBIOZRVTCWOLX-QLFBSQMISA-N	1	0	369.473	1.991	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCNC(=O)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090875334	947489614	/nfs/dbraw/zinc/48/96/14/947489614.db2.gz	OOUYZXKRYZRRGD-UEXGIBASSA-N	1	0	369.465	1.129	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090873022	947505815	/nfs/dbraw/zinc/50/58/15/947505815.db2.gz	XHNZICHFKNHGFA-NZSAHSFTSA-N	1	0	371.481	1.634	20	30		FDEDRO
C=CCCOCC(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573337321	947516455	/nfs/dbraw/zinc/51/64/55/947516455.db2.gz	VPQHTFDTUFCVAH-MRXNPFEDSA-N	1	0	370.457	1.398	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2[nH]c(=O)[nH]c2C)C[C@H]1c1ccc(OC)cc1	ZINC001090874189	947522266	/nfs/dbraw/zinc/52/22/66/947522266.db2.gz	FGTNQXSKNURENI-JKSUJKDBSA-N	1	0	356.426	1.816	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@H]2NCC#N)cc1	ZINC001090874491	947527751	/nfs/dbraw/zinc/52/77/51/947527751.db2.gz	KFVIOQDNEPOJSY-YZGWKJHDSA-N	1	0	370.497	1.977	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCC(=O)N2)C[C@H]1c1ccc(OC)cc1	ZINC001090881018	947597755	/nfs/dbraw/zinc/59/77/55/947597755.db2.gz	VDXYFSLUKKXVKO-GBESFXJTSA-N	1	0	371.481	1.824	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COc2cccnc2)C[C@H]1c1ccc(OC)cc1	ZINC001090882602	947619167	/nfs/dbraw/zinc/61/91/67/947619167.db2.gz	KNQUYTUWARWXAZ-VQTJNVASSA-N	1	0	365.433	1.686	20	30		FDEDRO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C#Cc1ccc(C(F)(F)F)cc1	ZINC000844037617	947638745	/nfs/dbraw/zinc/63/87/45/947638745.db2.gz	KUNQEGRICZFDOL-ZDUSSCGKSA-N	1	0	367.371	1.635	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2C)C[C@H]1c1ccc(OC)cc1	ZINC001090884569	947646111	/nfs/dbraw/zinc/64/61/11/947646111.db2.gz	WFZQVUPVGRSOCL-IPMKNSEASA-N	1	0	369.465	1.223	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(C)nn(C)c2F)C[C@H]1c1ccc(OC)cc1	ZINC001090884696	947647142	/nfs/dbraw/zinc/64/71/42/947647142.db2.gz	YWMZKNICHFDLLE-DLBZAZTESA-N	1	0	370.428	1.707	20	30		FDEDRO
CC#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001573358489	947663883	/nfs/dbraw/zinc/66/38/83/947663883.db2.gz	LJYXHCGXLVVRRT-UHOFOFEASA-N	1	0	367.457	1.437	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C1	ZINC001573359031	947677470	/nfs/dbraw/zinc/67/74/70/947677470.db2.gz	UUZSYNXGTJJDLK-IHRRRGAJSA-N	1	0	353.430	1.048	20	30		FDEDRO
Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N[C@@H]3C[NH2+]C[C@H]3C#N)c12	ZINC000844195502	947865874	/nfs/dbraw/zinc/86/58/74/947865874.db2.gz	VIHCKHGHDIMALO-BXUZGUMPSA-N	1	0	366.450	1.847	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1OC	ZINC001090924837	947935785	/nfs/dbraw/zinc/93/57/85/947935785.db2.gz	ZNWFJOVCVBKLSI-ZIAGYGMSSA-N	1	0	365.503	1.373	20	30		FDEDRO
CO[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1NC(=O)C1([NH+](C)C)CCC1	ZINC001090922669	947963636	/nfs/dbraw/zinc/96/36/36/947963636.db2.gz	MSSMBACYXGBAEN-ZIAGYGMSSA-N	1	0	363.487	1.127	20	30		FDEDRO
CN(C[C@@H](O)C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1)C(=O)OC(C)(C)C	ZINC000844371268	947998300	/nfs/dbraw/zinc/99/83/00/947998300.db2.gz	MHINHIYXTAWGPF-DLBZAZTESA-N	1	0	363.458	1.751	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1CCO[C@@H]2CN(c3cc(C)ncc3C#N)C[C@@H]21	ZINC001091049558	948651140	/nfs/dbraw/zinc/65/11/40/948651140.db2.gz	QQJGPQWGNKTZSQ-ZWKOTPCHSA-N	1	0	357.458	1.020	20	30		FDEDRO
N#Cc1cccc(CS(=O)(=O)N2CCC([NH2+]C3CCOCC3)CC2)c1	ZINC001196173234	971521158	/nfs/dbraw/zinc/52/11/58/971521158.db2.gz	IHCNETQAIUPGKK-UHFFFAOYSA-N	1	0	363.483	1.621	20	30		FDEDRO
C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1CCN(C(=O)N2CCOCC2)CC1	ZINC001171181021	949236191	/nfs/dbraw/zinc/23/61/91/949236191.db2.gz	GKGHYGSKIRSUEW-INIZCTEOSA-N	1	0	356.470	1.995	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573793111	949285437	/nfs/dbraw/zinc/28/54/37/949285437.db2.gz	LHWBASHBEMDJQD-AWEZNQCLSA-N	1	0	370.432	1.746	20	30		FDEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(C(=S)Nc1ccccc1C#N)CC2	ZINC001196301415	971615971	/nfs/dbraw/zinc/61/59/71/971615971.db2.gz	XHZSKJULKGZALW-UHFFFAOYSA-N	1	0	371.510	1.931	20	30		FDEDRO
C#Cc1ccc(C[N@H+]2C[C@H](NC(=O)c3cnn(C)c3)[C@H]3OCCC[C@H]32)cc1	ZINC001144573432	949957333	/nfs/dbraw/zinc/95/73/33/949957333.db2.gz	JNIWBUXKGGGTQF-XUVXKRRUSA-N	1	0	364.449	1.563	20	30		FDEDRO
CC(C)C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H](C)C#N	ZINC001574150592	950033911	/nfs/dbraw/zinc/03/39/11/950033911.db2.gz	CAFOZWPIXKLCLI-IUODEOHRSA-N	1	0	373.436	1.786	20	30		FDEDRO
C[C@H](CN(C)C(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1	ZINC001574739345	950190626	/nfs/dbraw/zinc/19/06/26/950190626.db2.gz	NQEXYUXZYIEYGN-GFCCVEGCSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1	ZINC001574746363	950395225	/nfs/dbraw/zinc/39/52/25/950395225.db2.gz	OAIGEQJVQCNQEH-LBPRGKRZSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[C@H](CC#N)N(C)CN1C(=O)NC2(CC[NH+](Cc3ccccc3)CC2)C1=O	ZINC000857232125	971662103	/nfs/dbraw/zinc/66/21/03/971662103.db2.gz	MPOZNHSKUFWUSQ-MRXNPFEDSA-N	1	0	369.469	1.764	20	30		FDEDRO
C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1cc(C#N)ccc1F	ZINC001574992346	950441952	/nfs/dbraw/zinc/44/19/52/950441952.db2.gz	AHRAGAQCEMLSGJ-SNVBAGLBSA-N	1	0	368.376	1.114	20	30		FDEDRO
C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCc2nnc(Cn3cccn3)n2CC1	ZINC001171218079	950667467	/nfs/dbraw/zinc/66/74/67/950667467.db2.gz	TTWHIAJUDXPQAV-INIZCTEOSA-N	1	0	361.453	1.884	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001570983133	950668641	/nfs/dbraw/zinc/66/86/41/950668641.db2.gz	LKZJIGNEQMRKOQ-FZMZJTMJSA-N	1	0	357.393	1.198	20	30		FDEDRO
C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1cc(C#N)ccc1F	ZINC001575017741	951007353	/nfs/dbraw/zinc/00/73/53/951007353.db2.gz	MWKCGLKDEWIBBQ-JTQLQIEISA-N	1	0	368.376	1.114	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21	ZINC000846444346	951122625	/nfs/dbraw/zinc/12/26/25/951122625.db2.gz	UQSZLKCLMZYSTL-HBMCJLEFSA-N	1	0	367.493	1.586	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C2CC(CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)cc1	ZINC001091236721	951183095	/nfs/dbraw/zinc/18/30/95/951183095.db2.gz	BXSMFMTWHVSLEA-UMQBVGHOSA-N	1	0	354.454	1.444	20	30		FDEDRO
Cc1cc(C#N)nc(N[C@@H]2CCCC[C@H]2NC(=O)COCC[NH+](C)C)n1	ZINC001091269127	951254587	/nfs/dbraw/zinc/25/45/87/951254587.db2.gz	GVSMZLIFEXGHDO-HZPDHXFCSA-N	1	0	360.462	1.074	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CC([NH2+]CC(=O)N2CCCC2)C1	ZINC001091271487	951261430	/nfs/dbraw/zinc/26/14/30/951261430.db2.gz	KMGYBFSPLDOEDR-AKSNENBUSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(N3CCOCC3)CCCC2)C1	ZINC001196519857	971730505	/nfs/dbraw/zinc/73/05/05/971730505.db2.gz	VJGWHXAOCZLVSC-RCCFBDPRSA-N	1	0	365.518	1.147	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000846611955	951375909	/nfs/dbraw/zinc/37/59/09/951375909.db2.gz	LMOOTIHJTULRDS-FQEVSTJZSA-N	1	0	350.466	1.736	20	30		FDEDRO
CN1CCC[C@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1=O	ZINC000846611833	951376149	/nfs/dbraw/zinc/37/61/49/951376149.db2.gz	HZOZRZMFVLKUCG-GOSISDBHSA-N	1	0	354.454	1.507	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)c2)C1	ZINC001091400697	951572409	/nfs/dbraw/zinc/57/24/09/951572409.db2.gz	NFLUSEYIHUZPQB-RCCFBDPRSA-N	1	0	367.453	1.864	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@]34CCC[C@H]3OCC4)c2)C1	ZINC001091401251	951576004	/nfs/dbraw/zinc/57/60/04/951576004.db2.gz	WXKWJSCKPWEXQB-SBHAEUEKSA-N	1	0	369.465	1.743	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+](C)C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)C1=O	ZINC000846893238	951682124	/nfs/dbraw/zinc/68/21/24/951682124.db2.gz	YWNKLTTXVQFFOC-HNAYVOBHSA-N	1	0	367.490	1.467	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cccnc4)C[C@]3(C)C2)C1=O	ZINC001091436020	951754656	/nfs/dbraw/zinc/75/46/56/951754656.db2.gz	IOZOVEXJZYWPFR-UWVAXJGDSA-N	1	0	354.454	1.262	20	30		FDEDRO
C#C[C@@H]1CCCN([C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)C1	ZINC000847032387	951782362	/nfs/dbraw/zinc/78/23/62/951782362.db2.gz	WWEPCDYXPNNGIH-NWDGAFQWSA-N	1	0	367.371	1.892	20	30		FDEDRO
N#Cc1ccc(C2([NH2+]CC(=O)N3CCC4(CC3)OCCO4)CCC2)cc1	ZINC000847059023	951800273	/nfs/dbraw/zinc/80/02/73/951800273.db2.gz	OEYMICBHXYQZMH-UHFFFAOYSA-N	1	0	355.438	1.893	20	30		FDEDRO
C[C@]12CN(C(=O)c3cc[n+]([O-])cc3)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001091456426	951815552	/nfs/dbraw/zinc/81/55/52/951815552.db2.gz	GMRANDNWHZHNTQ-CTNGQTDRSA-N	1	0	362.433	1.786	20	30		FDEDRO
C[C@]12CN(C(=O)c3ccc(=O)[nH]n3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001091455674	951837228	/nfs/dbraw/zinc/83/72/28/951837228.db2.gz	IFBCZMMHISDXID-UZLBHIALSA-N	1	0	363.421	1.648	20	30		FDEDRO
C[C@]12CN(C(=O)c3cc[nH]n3)C[C@H]1C[N@H+](Cc1ccc(OCC#N)cc1)C2	ZINC001091499914	951885852	/nfs/dbraw/zinc/88/58/52/951885852.db2.gz	NROMEPHPNSGZDN-UZLBHIALSA-N	1	0	365.437	1.906	20	30		FDEDRO
C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1ccc(C#N)[nH]1	ZINC001575108475	951927108	/nfs/dbraw/zinc/92/71/08/951927108.db2.gz	MZTBZILKLFNSSR-GFCCVEGCSA-N	1	0	364.413	1.317	20	30		FDEDRO
CCn1nnc(C)c1C[N@@H+]1C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@]2(C)C1	ZINC001091574554	952111943	/nfs/dbraw/zinc/11/19/43/952111943.db2.gz	JZLGAUCIKWITPG-BEFAXECRSA-N	1	0	367.457	1.400	20	30		FDEDRO
CCc1nc(C#N)cc(N[C@@H]2CC[C@H](CNC(=O)C[NH+]3CCCC3)C2)n1	ZINC001091578022	952120560	/nfs/dbraw/zinc/12/05/60/952120560.db2.gz	KDOCCJOPUBGYOU-LSDHHAIUSA-N	1	0	356.474	1.703	20	30		FDEDRO
Cc1ccc(C#N)c(N[C@@H]2CC[C@H](CNC(=O)COCC[NH+](C)C)C2)n1	ZINC001091593901	952187148	/nfs/dbraw/zinc/18/71/48/952187148.db2.gz	STFXFLUSOXEOHO-DOTOQJQBSA-N	1	0	359.474	1.537	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001571085823	952198699	/nfs/dbraw/zinc/19/86/99/952198699.db2.gz	VDTKOWDYCSXYHK-JSGCOSHPSA-N	1	0	371.420	1.588	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)NC[C@H]1CC[C@@H](Nc2cncc(C#N)n2)C1	ZINC001091609206	952274728	/nfs/dbraw/zinc/27/47/28/952274728.db2.gz	IUFGHSWQJHSVEI-LZWOXQAQSA-N	1	0	362.453	1.725	20	30		FDEDRO
C[C@]12CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]1C[N@H+](C[C@H]1CCc3ncnn31)C2	ZINC001091613196	952305452	/nfs/dbraw/zinc/30/54/52/952305452.db2.gz	NBBRWHNIFSGPRS-OGWOLHLISA-N	1	0	365.441	1.059	20	30		FDEDRO
N#Cc1cnc(N[C@@H]2CC[C@H](CNC(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)cn1	ZINC001091620629	952336285	/nfs/dbraw/zinc/33/62/85/952336285.db2.gz	AXIVGUQHWQEODW-ZSZQSSIHSA-N	1	0	368.485	1.919	20	30		FDEDRO
Cc1cc(C#N)nc(N[C@@H]2CC[C@H](CNC(=O)C[N@@H+](C)C3CCC3)C2)n1	ZINC001091644461	952467858	/nfs/dbraw/zinc/46/78/58/952467858.db2.gz	OTYUQCPAIBVJIO-LSDHHAIUSA-N	1	0	356.474	1.838	20	30		FDEDRO
C[C@@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1	ZINC001091655202	952516101	/nfs/dbraw/zinc/51/61/01/952516101.db2.gz	GUIKNSUQDRLPRG-CDXJDZJCSA-N	1	0	357.498	1.581	20	30		FDEDRO
CO[C@@H](C)c1noc(CN2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]3(C)C2)n1	ZINC001091659220	952518596	/nfs/dbraw/zinc/51/85/96/952518596.db2.gz	HXTFIZYISDNFGM-OHNRDTAOSA-N	1	0	358.442	1.471	20	30		FDEDRO
C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1C[N@H+](Cc1cc(=O)[nH]c(C3CC3)n1)C2	ZINC001091659064	952518922	/nfs/dbraw/zinc/51/89/22/952518922.db2.gz	FZYFRHQLDBLEON-IERDGZPVSA-N	1	0	366.465	1.753	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2Nc2ccc(C#N)cn2)cn1	ZINC001091656388	952531356	/nfs/dbraw/zinc/53/13/56/952531356.db2.gz	QAKKYTBRPPFESX-DLBZAZTESA-N	1	0	367.457	1.045	20	30		FDEDRO
CC[NH+](CC)CCCNC(=S)Nc1nc(C#N)c(C#N)nc1Cl	ZINC001196655736	971843245	/nfs/dbraw/zinc/84/32/45/971843245.db2.gz	GXNDPQPOJVMWCK-UHFFFAOYSA-N	1	0	351.867	1.892	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1CNc1ncccc1C#N	ZINC001091667482	952555546	/nfs/dbraw/zinc/55/55/46/952555546.db2.gz	OPMWZZAKPSHIPR-IAGOWNOFSA-N	1	0	359.474	1.570	20	30		FDEDRO
C[C@]12CN(C(=O)CO[C@@H]3CCOC3)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001091669624	952574098	/nfs/dbraw/zinc/57/40/98/952574098.db2.gz	SOMNBHKDBWGIFS-SBHAEUEKSA-N	1	0	369.465	1.644	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cnn(C)c3)C[C@@]2(C)C1	ZINC001091682658	952623739	/nfs/dbraw/zinc/62/37/39/952623739.db2.gz	BUTRWTSSAWNLSR-XSYGEPLQSA-N	1	0	358.486	1.682	20	30		FDEDRO
C[C@H](CC(=O)NCCc1ccccc1)[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000772986979	952655046	/nfs/dbraw/zinc/65/50/46/952655046.db2.gz	XLERFJHADJEZJC-FZFLATATSA-N	1	0	370.453	1.240	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCCO[C@@H]1CCOC1)C2	ZINC001148311171	952680072	/nfs/dbraw/zinc/68/00/72/952680072.db2.gz	YLEMUXFVTAVJCL-KURKYZTESA-N	1	0	364.486	1.307	20	30		FDEDRO
C[C@]12CN(C(=O)c3cn[nH]c(=O)c3)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001091762485	952845200	/nfs/dbraw/zinc/84/52/00/952845200.db2.gz	LSURTZIMARCEGG-XLIONFOSSA-N	1	0	363.421	1.648	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nn(CC)nc3C)C2)cn1	ZINC001086857397	952874847	/nfs/dbraw/zinc/87/48/47/952874847.db2.gz	AVVAXIPFSPAKIV-MAUKXSAKSA-N	1	0	366.469	1.671	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sc(N(C)C)nc2C)C1	ZINC001196710252	971876170	/nfs/dbraw/zinc/87/61/70/971876170.db2.gz	XKTAJRTYRXENJS-IACUBPJLSA-N	1	0	352.504	1.647	20	30		FDEDRO
CN1C(=O)CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001086866547	952898382	/nfs/dbraw/zinc/89/83/82/952898382.db2.gz	RGFCXINXAMCGHY-OTWHNJEPSA-N	1	0	368.481	1.944	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H](C)c3nnc(CC)[nH]3)C2)nc1	ZINC001086856971	952903879	/nfs/dbraw/zinc/90/38/79/952903879.db2.gz	DSOVGGDQESSDCG-VNQPRFMTSA-N	1	0	366.469	1.993	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3CCC)C2)nc1	ZINC001086857336	952904470	/nfs/dbraw/zinc/90/44/70/952904470.db2.gz	XTYXOYPCXDHPDV-JKSUJKDBSA-N	1	0	367.457	1.148	20	30		FDEDRO
Cc1cncc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2c2cnn(C)c2)c1	ZINC001086970685	952972325	/nfs/dbraw/zinc/97/23/25/952972325.db2.gz	FAXIZUWSOHPVGF-JCGIZDLHSA-N	1	0	352.442	1.367	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c(C3CCC3)cnn2C)C[C@H]1c1cnn(C)c1	ZINC001086980080	952974971	/nfs/dbraw/zinc/97/49/71/952974971.db2.gz	ITBFYEWPKFBWJS-ZWKOTPCHSA-N	1	0	368.485	1.805	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2[NH2+]CCc2ccns2)cn1	ZINC001086978560	952991035	/nfs/dbraw/zinc/99/10/35/952991035.db2.gz	CVTYWKAMEGWBBU-ZWKOTPCHSA-N	1	0	369.494	1.417	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1c1cnn(C)c1	ZINC001086979746	952993582	/nfs/dbraw/zinc/99/35/82/952993582.db2.gz	PPMUUBXCASVLGY-MXASKKJJSA-N	1	0	365.909	1.397	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cncc3nc[nH]c32)C[C@H]1c1cnn(C)c1	ZINC001086979697	952993597	/nfs/dbraw/zinc/99/35/97/952993597.db2.gz	NFEPZPOJMDEFBY-GOEBONIOSA-N	1	0	351.414	1.075	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cncc3ncn(C)c32)C[C@H]1c1cnn(C)c1	ZINC001086983083	952996536	/nfs/dbraw/zinc/99/65/36/952996536.db2.gz	VXFGPRYBRXOOHV-DOTOQJQBSA-N	1	0	365.441	1.086	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(=O)[nH]c(C3CC3)n2)C[C@H]1c1cnn(C)c1	ZINC001086984051	952998428	/nfs/dbraw/zinc/99/84/28/952998428.db2.gz	WZLOHJPFICCICV-GOEBONIOSA-N	1	0	368.441	1.177	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)n(CC)c2C)C[C@H]1c1cnn(C)c1	ZINC001086986656	953007325	/nfs/dbraw/zinc/00/73/25/953007325.db2.gz	AVNQGYDKSRZQGE-RBUKOAKNSA-N	1	0	353.470	1.689	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(=O)oc2C)C[C@H]1c1cnn(C)c1	ZINC001086986664	953007337	/nfs/dbraw/zinc/00/73/37/953007337.db2.gz	BGEAOLXOSPNMLF-JKSUJKDBSA-N	1	0	356.426	1.374	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3ccncc3n2)C[C@H]1c1cnn(C)c1	ZINC001086987739	953010514	/nfs/dbraw/zinc/01/05/14/953010514.db2.gz	KPCDFGTUUPAZGH-QFBILLFUSA-N	1	0	362.437	1.747	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ocnc2C(F)(F)F)C[C@H]1c1cnn(C)c1	ZINC001086989086	953013310	/nfs/dbraw/zinc/01/33/10/953013310.db2.gz	HGQZEDYMOUDYIP-NWDGAFQWSA-N	1	0	367.331	1.258	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)[nH]c2=O)C[C@H]1c1cnn(C)c1	ZINC001086989839	953015281	/nfs/dbraw/zinc/01/52/81/953015281.db2.gz	WSJWFLNRPFXDOU-DLBZAZTESA-N	1	0	369.469	1.911	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cn(C)nc2C)C1	ZINC001086991027	953019710	/nfs/dbraw/zinc/01/97/10/953019710.db2.gz	GBMSDGKMHDGAAY-ZWKOTPCHSA-N	1	0	370.501	1.758	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2C2CC2)C[C@H]1c1cnn(C)c1	ZINC001086980924	953031514	/nfs/dbraw/zinc/03/15/14/953031514.db2.gz	DTBUXUNKHXJQNQ-DOTOQJQBSA-N	1	0	354.458	1.415	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCCCCCC)C[C@H]1O	ZINC001196692067	971891920	/nfs/dbraw/zinc/89/19/20/971891920.db2.gz	SPXAOCCCZUAIEV-RCCFBDPRSA-N	1	0	353.507	1.589	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](NCC#N)C1	ZINC001087000828	953052705	/nfs/dbraw/zinc/05/27/05/953052705.db2.gz	PYLMHRXDKOJMSH-RCCFBDPRSA-N	1	0	358.490	1.091	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCO[C@H]2C(=C)C)C[C@H]1c1cnn(C)c1	ZINC001087001170	953053678	/nfs/dbraw/zinc/05/36/78/953053678.db2.gz	HMIOTWNFCVORDB-OKYOBFRVSA-N	1	0	356.470	1.309	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2oc(C(C)C)nc2C)C[C@H]1c1cnn(C)c1	ZINC001087001469	953054928	/nfs/dbraw/zinc/05/49/28/953054928.db2.gz	WMBFSGXKKJDDJV-JKSUJKDBSA-N	1	0	355.442	1.671	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2c(C)noc2C)C[C@H]1c1cnn(C)c1	ZINC001087001945	953056514	/nfs/dbraw/zinc/05/65/14/953056514.db2.gz	YLDBHCFCBRSTCO-AFAVFJNCSA-N	1	0	357.458	1.899	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3ccccc3O2)C[C@H]1c1cnn(C)c1	ZINC001087002140	953056942	/nfs/dbraw/zinc/05/69/42/953056942.db2.gz	JZBBPYKNDRTBFG-NSHGMRRFSA-N	1	0	364.449	1.331	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2C(C)(C)C)C[C@H]1c1cnn(C)c1	ZINC001087002446	953057888	/nfs/dbraw/zinc/05/78/88/953057888.db2.gz	ZXJDFFLFWVCYSX-DOTOQJQBSA-N	1	0	368.485	1.282	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c3c(nn2C)CCC3)C[C@H]1c1cnn(C)c1	ZINC001087005912	953065959	/nfs/dbraw/zinc/06/59/59/953065959.db2.gz	ZQZJQIYGKQUZTJ-DOTOQJQBSA-N	1	0	354.458	1.026	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)COc2ccccc2C)C[C@H]1c1cnn(C)c1	ZINC001087007914	953094362	/nfs/dbraw/zinc/09/43/62/953094362.db2.gz	BWHYGTUOLQMCFQ-ZWKOTPCHSA-N	1	0	354.454	1.878	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2ccccc2)C[C@H]1c1cnn(C)c1	ZINC001087008281	953095228	/nfs/dbraw/zinc/09/52/28/953095228.db2.gz	XIPMRGYANZPAGI-ZYSHUDEJSA-N	1	0	354.454	1.958	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COc2ccc(C)cc2C)C[C@H]1c1cnn(C)c1	ZINC001087008861	953096367	/nfs/dbraw/zinc/09/63/67/953096367.db2.gz	ATBRIVJDHLXJHS-RBUKOAKNSA-N	1	0	366.465	1.633	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)N(C)C)C[C@H]1c1cnn(C)c1	ZINC001087011100	953102730	/nfs/dbraw/zinc/10/27/30/953102730.db2.gz	FRUYNASLEXGZMM-XUVXKRRUSA-N	1	0	367.497	1.793	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cccc(OCC)c2)C[C@H]1c1cnn(C)c1	ZINC001087011162	953103263	/nfs/dbraw/zinc/10/32/63/953103263.db2.gz	IAGDNKWXCPUIHP-VQTJNVASSA-N	1	0	366.465	1.579	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3c2cccc3Cl)C[C@H]1c1cnn(C)c1	ZINC001087011603	953104593	/nfs/dbraw/zinc/10/45/93/953104593.db2.gz	FRMPOMZGZQPHQU-JENIJYKNSA-N	1	0	368.868	1.931	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH]c(=O)oc32)C[C@H]1c1cnn(C)c1	ZINC001087012086	953105708	/nfs/dbraw/zinc/10/57/08/953105708.db2.gz	DPLJNEPEOSGCSZ-GOEBONIOSA-N	1	0	365.393	1.098	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C(F)F)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001087013211	953108403	/nfs/dbraw/zinc/10/84/03/953108403.db2.gz	JXEMDPRDAMEPFM-UKRRQHHQSA-N	1	0	355.360	1.916	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]C[C@@H]1CCCOC1	ZINC001087040147	953156763	/nfs/dbraw/zinc/15/67/63/953156763.db2.gz	UECFYFJPFMXLOF-YXJHDRRASA-N	1	0	360.458	1.380	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C3=CCCC3)C[C@H]2OCC)C1=O	ZINC001087044652	953167839	/nfs/dbraw/zinc/16/78/39/953167839.db2.gz	XZFYHCPDMMNVPC-KZNAEPCWSA-N	1	0	361.486	1.337	20	30		FDEDRO
CCOc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2OCC)s1	ZINC001087034461	953172282	/nfs/dbraw/zinc/17/22/82/953172282.db2.gz	GNNJXZWNAAVPHI-JHJVBQTASA-N	1	0	367.475	1.050	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087049379	953174224	/nfs/dbraw/zinc/17/42/24/953174224.db2.gz	DTYOZGWXYFVTFH-QZTJIDSGSA-N	1	0	359.470	1.672	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1noc2c1CCCC2	ZINC001087052786	953183848	/nfs/dbraw/zinc/18/38/48/953183848.db2.gz	LNYDLTLFWSQWDQ-OXQOHEQNSA-N	1	0	371.481	1.920	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]C[C@@H]1CCCOC1	ZINC001087046196	953193149	/nfs/dbraw/zinc/19/31/49/953193149.db2.gz	PRULHDJKEVWXBS-HDMKZQKVSA-N	1	0	360.458	1.380	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1nccnc1C	ZINC001087046263	953193778	/nfs/dbraw/zinc/19/37/78/953193778.db2.gz	VDIVVLFXTHOLEM-RDTXWAMCSA-N	1	0	368.441	1.252	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2cnnn2C)[C@H](OCC)C1	ZINC001087057780	953199249	/nfs/dbraw/zinc/19/92/49/953199249.db2.gz	UPRDSGCMDSVCHS-UKRRQHHQSA-N	1	0	369.897	1.547	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H]2CCN(CC)C2=O)[C@H](OCC)C1	ZINC001087072012	953226300	/nfs/dbraw/zinc/22/63/00/953226300.db2.gz	NWODNUWBRLXJFM-BRWVUGGUSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2CCOCC2)[C@H](OCC)C1	ZINC001087085712	953247258	/nfs/dbraw/zinc/24/72/58/953247258.db2.gz	SPCLCPZTQGZTAF-AKHDSKFASA-N	1	0	366.502	1.457	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCCCC)C[C@H]1O	ZINC001196791063	971916464	/nfs/dbraw/zinc/91/64/64/971916464.db2.gz	XJEPNUXBBBHNEZ-MLHJIOFPSA-N	1	0	354.491	1.336	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C[NH2+][C@H]3CCCNC3=O)[C@H](OCC)C2)CC1	ZINC001087079177	953263718	/nfs/dbraw/zinc/26/37/18/953263718.db2.gz	CEFDIMCDMLKCBE-FGTMMUONSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C(C)(C)C)C[C@H]2OCC)C1=O	ZINC001087098475	953268164	/nfs/dbraw/zinc/26/81/64/953268164.db2.gz	XBLSTRMZQUJWCU-OWCLPIDISA-N	1	0	351.491	1.273	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3CCCC(=O)N3)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001091766286	953288983	/nfs/dbraw/zinc/28/89/83/953288983.db2.gz	VHDDXYGBHUKZNT-OPYAIIAOSA-N	1	0	366.465	1.507	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)CCN1c1ccc(C#N)nc1	ZINC001091784586	953301640	/nfs/dbraw/zinc/30/16/40/953301640.db2.gz	IORDUSOMUKEHSX-ZYSHUDEJSA-N	1	0	371.485	1.395	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CCN1c1ccnc(C#N)n1	ZINC001091788500	953308532	/nfs/dbraw/zinc/30/85/32/953308532.db2.gz	OOLWNGZOTXWJAI-JKSUJKDBSA-N	1	0	356.474	1.698	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@H]2C[N@@H+]([C@@H](CC)C(N)=O)C[C@@]2(C)C1	ZINC001091793272	953316623	/nfs/dbraw/zinc/31/66/23/953316623.db2.gz	CYNUBIIMXCKVJY-KUDFPVQQSA-N	1	0	371.481	1.909	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)CCN1c1nccnc1C#N	ZINC001091806541	953336995	/nfs/dbraw/zinc/33/69/95/953336995.db2.gz	SOPXNACTQFXTMJ-IJEWVQPXSA-N	1	0	362.453	1.502	20	30		FDEDRO
N#Cc1nccc(N2CC[C@@H]3CN(C(=O)CCC[NH+]4CCCC4)C[C@@H]3C2)n1	ZINC001091853651	953412110	/nfs/dbraw/zinc/41/21/10/953412110.db2.gz	HFYNKRPQSVLZGK-SJORKVTESA-N	1	0	368.485	1.509	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(OC)cc3)C[C@]2(C)C1	ZINC001091828687	953508484	/nfs/dbraw/zinc/50/84/84/953508484.db2.gz	XBMKUBRZELHBFD-QRWLVFNGSA-N	1	0	357.454	1.990	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cn(C)nc3[C@@H]3CCOC3)C[C@]2(C)C1	ZINC001091887795	953528914	/nfs/dbraw/zinc/52/89/14/953528914.db2.gz	VDAJYKNSEQPVBL-QINHECLXSA-N	1	0	356.470	1.341	20	30		FDEDRO
C[NH+](C)CCCC(=O)N1C[C@H]2CCN(c3ncc(C#N)cc3F)C[C@H]2C1	ZINC001091868260	953618875	/nfs/dbraw/zinc/61/88/75/953618875.db2.gz	LZDCIYXRNNKXEV-CVEARBPZSA-N	1	0	359.449	1.719	20	30		FDEDRO
C[N@H+](CC(=O)N1C[C@H]2CCN(c3ccc(C#N)nn3)C[C@H]2C1)CC(C)(C)C	ZINC001091870171	953624582	/nfs/dbraw/zinc/62/45/82/953624582.db2.gz	HCGNOUZAUOKDNG-CVEARBPZSA-N	1	0	370.501	1.611	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)CCOCCN(C)c2ccc(C#N)nc2)CC[N@@H+]1C	ZINC001091907538	953685750	/nfs/dbraw/zinc/68/57/50/953685750.db2.gz	MPHITKHOXHUKKK-CRAIPNDOSA-N	1	0	359.474	1.205	20	30		FDEDRO
C[C@]12CN(C(=O)C3(C(N)=O)CC3)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001091970844	953772190	/nfs/dbraw/zinc/77/21/90/953772190.db2.gz	GCMHHRIGDBDRQB-APWZRJJASA-N	1	0	352.438	1.104	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3COCCN3C3CCCC3)C[C@]2(C)C1	ZINC001091946748	953811466	/nfs/dbraw/zinc/81/14/66/953811466.db2.gz	KLPHTMQABKLKPE-LMNJBCLMSA-N	1	0	359.514	1.433	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCCc3ccccc32)C1	ZINC001196924714	971972501	/nfs/dbraw/zinc/97/25/01/971972501.db2.gz	FDKSPLAPQUASER-SFHLNBCPSA-N	1	0	358.482	1.645	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)CC2CCCC2)C1	ZINC001196925856	971973505	/nfs/dbraw/zinc/97/35/05/971973505.db2.gz	QSDCZEZXFASMPB-DJIMGWMZSA-N	1	0	351.491	1.199	20	30		FDEDRO
CC[NH+](CC)[C@H](C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)[C@@H]1C)C(C)C	ZINC001091998671	953921430	/nfs/dbraw/zinc/92/14/30/953921430.db2.gz	XYRBHKWLKBSSPD-HFTRVMKXSA-N	1	0	358.490	1.798	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@H]1CCN(c2nccnc2C#N)[C@@H]1C)[NH+]1CCCCC1	ZINC001091979400	953976753	/nfs/dbraw/zinc/97/67/53/953976753.db2.gz	DFZKENSDVSSYPV-SOLBZPMBSA-N	1	0	370.501	1.942	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)Cn3nnc4c3CCCC4)C[C@]2(C)C1	ZINC001092020257	954088908	/nfs/dbraw/zinc/08/89/08/954088908.db2.gz	ODIAMGUQEFQHCO-UZLBHIALSA-N	1	0	357.502	1.903	20	30		FDEDRO
C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)c3ccc(=O)n(CC)n3)C[C@]2(C)C1	ZINC001092106374	954331865	/nfs/dbraw/zinc/33/18/65/954331865.db2.gz	USNKSXSWHOBTOS-DYVFJYSZSA-N	1	0	350.850	1.410	20	30		FDEDRO
CCn1cc(C(=O)N2C[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@@]3(C)C2)nn1	ZINC001092143957	954384069	/nfs/dbraw/zinc/38/40/69/954384069.db2.gz	MMUDWOLSBFNXSG-XLIONFOSSA-N	1	0	364.453	1.764	20	30		FDEDRO
C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]3CC)C[C@]2(C)C1	ZINC001092182983	954477641	/nfs/dbraw/zinc/47/76/41/954477641.db2.gz	ZSMYJFRWMZFZCS-VKJFTORMSA-N	1	0	353.894	1.920	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CNC(C)=O)o2)C1	ZINC001196985938	972024474	/nfs/dbraw/zinc/02/44/74/972024474.db2.gz	TYOBKXFEWSWUJM-IAGOWNOFSA-N	1	0	365.474	1.661	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+]([C@@H]4CCN(CC)C4=O)C[C@@]3(C)C2)nc1	ZINC001092211513	954619244	/nfs/dbraw/zinc/61/92/44/954619244.db2.gz	HQYNSMFWGUJXLG-BLIXFSHQSA-N	1	0	366.465	1.078	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@H+](CC4CCOCC4)C[C@@]3(C)C2)nc1	ZINC001092211889	954620622	/nfs/dbraw/zinc/62/06/22/954620622.db2.gz	SLJCVPCZQMGQEO-NQIIRXRSSA-N	1	0	353.466	1.883	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN3CC(F)(F)F)C[C@]2(C)C1	ZINC001092302726	954758957	/nfs/dbraw/zinc/75/89/57/954758957.db2.gz	FKKUCCWZEONMHC-INMHGKMJSA-N	1	0	357.420	1.817	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C(C)(C)C[NH2+][C@@H]2CCNC2=O)CC1	ZINC001092332777	954959307	/nfs/dbraw/zinc/95/93/07/954959307.db2.gz	BSCKTPKBZCKDNS-ZACQAIPSSA-N	1	0	363.502	1.320	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CCC([NH2+]Cc2cnnn2C)CC1	ZINC000964022183	1013130380	/nfs/dbraw/zinc/13/03/80/1013130380.db2.gz	VYRNSRBNRFSLSY-RLNQZENFSA-N	1	0	361.490	1.656	20	30		FDEDRO
C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCO[C@H]1C1CC1)c1nccn12	ZINC001092383569	954981194	/nfs/dbraw/zinc/98/11/94/954981194.db2.gz	ISKUPNXQIUWAKU-ZACQAIPSSA-N	1	0	356.470	1.846	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@H](C)C2)n1	ZINC001092387080	954985771	/nfs/dbraw/zinc/98/57/71/954985771.db2.gz	PGRPRAPXFXLVPL-FMKPAKJESA-N	1	0	358.490	1.439	20	30		FDEDRO
CC(C)[C@H](C(=O)NC[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1C)[NH+](C)C	ZINC001092389091	954988905	/nfs/dbraw/zinc/98/89/05/954988905.db2.gz	DPAWTNXICKSIAI-FRFSOERESA-N	1	0	361.465	1.867	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](CNC(=O)C[NH+]3CCC(C)CC3)[C@H](C)C2)n1	ZINC001092393982	954995798	/nfs/dbraw/zinc/99/57/98/954995798.db2.gz	QYQKKOHGJBYQMC-NVXWUHKLSA-N	1	0	370.501	1.577	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)C1=COCCO1	ZINC001092436366	955093164	/nfs/dbraw/zinc/09/31/64/955093164.db2.gz	HRTYWLPONBCIDQ-NVXWUHKLSA-N	1	0	371.437	1.661	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3cccc(C)n3)[C@H](C)C2)C1=O	ZINC001092473508	955214066	/nfs/dbraw/zinc/21/40/66/955214066.db2.gz	NMHOTNQMZAIBKJ-KYJSFNMBSA-N	1	0	356.470	1.475	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)c1nccnc1N	ZINC001092514464	955297873	/nfs/dbraw/zinc/29/78/73/955297873.db2.gz	LQIIWDBPDVSTAT-CZUORRHYSA-N	1	0	350.426	1.428	20	30		FDEDRO
C[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001092520289	955309335	/nfs/dbraw/zinc/30/93/35/955309335.db2.gz	VVIOHTMIKSIXJS-BMFZPTHFSA-N	1	0	359.449	1.623	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C	ZINC001092547628	955386735	/nfs/dbraw/zinc/38/67/35/955386735.db2.gz	CNJGUGXYFDFUDZ-ZACQAIPSSA-N	1	0	370.501	1.800	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CCNC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001092551585	955404212	/nfs/dbraw/zinc/40/42/12/955404212.db2.gz	MUAWICXFTNYMTP-DJIMGWMZSA-N	1	0	368.485	1.269	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3ncccc3C)[C@H](C)C2)C1=O	ZINC001092534725	955509910	/nfs/dbraw/zinc/50/99/10/955509910.db2.gz	PUOSDZIXHWPTPG-ZACQAIPSSA-N	1	0	356.470	1.475	20	30		FDEDRO
CCn1nncc1C(=O)NC[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1C	ZINC001092588639	955561219	/nfs/dbraw/zinc/56/12/19/955561219.db2.gz	ICFNLEQHSJXDMH-CZUORRHYSA-N	1	0	370.432	1.807	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)c1ncn(C)n1	ZINC001092588949	955563747	/nfs/dbraw/zinc/56/37/47/955563747.db2.gz	MKQBMISIFANDJN-IUODEOHRSA-N	1	0	356.405	1.324	20	30		FDEDRO
CCn1ncc(C(=O)NC[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)n1	ZINC001092591969	955576259	/nfs/dbraw/zinc/57/62/59/955576259.db2.gz	RWYBZSAXMFJUGR-CZUORRHYSA-N	1	0	370.432	1.807	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](CNc2cncc(C#N)n2)[C@H](C)C1	ZINC001092661744	955937279	/nfs/dbraw/zinc/93/72/79/955937279.db2.gz	DTGWQGVLLQLVGS-IIAWOOMASA-N	1	0	362.453	1.535	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](CNc2cnc(C#N)cn2)[C@H](C)C1	ZINC001092662464	955939439	/nfs/dbraw/zinc/93/94/39/955939439.db2.gz	QPQMAOXALKMINP-FMKPAKJESA-N	1	0	362.453	1.535	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](CNc2cc(C)ncc2C#N)[C@H](C)C1	ZINC001092665702	955950010	/nfs/dbraw/zinc/95/00/10/955950010.db2.gz	DAOCHKRNLTTZCC-RHSMWYFYSA-N	1	0	357.502	1.920	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1CNc1nccnc1C#N	ZINC001092674609	955982861	/nfs/dbraw/zinc/98/28/61/955982861.db2.gz	LDENBOMIPLIZKY-HUUCEWRRSA-N	1	0	358.490	1.833	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CCC(=O)NC1	ZINC001092760883	956298973	/nfs/dbraw/zinc/29/89/73/956298973.db2.gz	SPQHZJYYMVRGLS-NZSAHSFTSA-N	1	0	353.466	1.248	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3ccc(C)c(C)n3)[C@H](C)C2)C1=O	ZINC001092830912	956567414	/nfs/dbraw/zinc/56/74/14/956567414.db2.gz	IXQKSYWFEAFATF-SZVBFZGTSA-N	1	0	370.497	1.783	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]2C)cc1	ZINC001092874594	956614012	/nfs/dbraw/zinc/61/40/12/956614012.db2.gz	QACXJMLZRPCWFW-VQIMIIECSA-N	1	0	353.466	1.588	20	30		FDEDRO
N#Cc1nccc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCC[NH+]2CCCC2)C3)n1	ZINC001092853272	956687282	/nfs/dbraw/zinc/68/72/82/956687282.db2.gz	GSFYMJKQRCGIAK-IKGGRYGDSA-N	1	0	368.485	1.840	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ncc(C#N)cc2F)CC1	ZINC001092908418	956744310	/nfs/dbraw/zinc/74/43/10/956744310.db2.gz	MFWROFWXENALEU-KBMXLJTQSA-N	1	0	357.433	1.660	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1	ZINC001092888305	956798022	/nfs/dbraw/zinc/79/80/22/956798022.db2.gz	WCIXESZDLNLGEJ-UGUYLWEFSA-N	1	0	360.437	1.254	20	30		FDEDRO
CCc1nc(C#N)cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2([NH+](C)C)CCC2)C3)n1	ZINC001092891772	956805648	/nfs/dbraw/zinc/80/56/48/956805648.db2.gz	ZWOQKLRUHQTQGV-PMPSAXMXSA-N	1	0	368.485	1.621	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@@H]1CCN(C)C1=O	ZINC001092897146	956826074	/nfs/dbraw/zinc/82/60/74/956826074.db2.gz	FKKOUSXGFPZDQK-OLMNPRSZSA-N	1	0	354.454	1.221	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N	ZINC001093057282	957276472	/nfs/dbraw/zinc/27/64/72/957276472.db2.gz	IXICBWRUFNUJIN-HWMZRRJGSA-N	1	0	354.458	1.449	20	30		FDEDRO
Cc1cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@@H+](C)C2CCC2)C3)c(C#N)cn1	ZINC001093057607	957277513	/nfs/dbraw/zinc/27/75/13/957277513.db2.gz	IUHYTRHZCLHCFC-KURKYZTESA-N	1	0	353.470	1.972	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)CC1	ZINC000775773698	972264510	/nfs/dbraw/zinc/26/45/10/972264510.db2.gz	JCCSUVGFCIIZMZ-QGZVFWFLSA-N	1	0	370.497	1.678	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1CN(c1cncc(C#N)n1)C2	ZINC001093090853	957530464	/nfs/dbraw/zinc/53/04/64/957530464.db2.gz	QBASHUBWOQSHAP-KXBFYZLASA-N	1	0	356.474	1.555	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1C	ZINC001093118105	957568352	/nfs/dbraw/zinc/56/83/52/957568352.db2.gz	FHPVSNRKXWQEFU-HUUCEWRRSA-N	1	0	360.458	1.032	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccnc(OC)n3)C[C@H]2C)nc1	ZINC001093137724	957630470	/nfs/dbraw/zinc/63/04/70/957630470.db2.gz	ILVAJOFUMMZMNW-GDBMZVCRSA-N	1	0	365.437	1.359	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](CCc3cnn(CC)c3)C[C@H]2C)cn1	ZINC001093142816	957639842	/nfs/dbraw/zinc/63/98/42/957639842.db2.gz	DMIQRLUEGFKWPZ-VQIMIIECSA-N	1	0	365.481	1.820	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(OC)nn3)C[C@H]2C)cn1	ZINC001093142768	957640126	/nfs/dbraw/zinc/64/01/26/957640126.db2.gz	BDWWCPCRZUSSMW-GDBMZVCRSA-N	1	0	365.437	1.359	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3cc(OC)ccn3)C[C@H]2C)cn1	ZINC001093143158	957641071	/nfs/dbraw/zinc/64/10/71/957641071.db2.gz	REQYLAWXWMSYAF-NVXWUHKLSA-N	1	0	364.449	1.964	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1C	ZINC001093143474	957642101	/nfs/dbraw/zinc/64/21/01/957642101.db2.gz	JNRBCZGRVOLRHQ-IAGOWNOFSA-N	1	0	371.481	1.960	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)c2cccc(-n3cnnn3)c2)[C@H](C)C1	ZINC001093191500	957746423	/nfs/dbraw/zinc/74/64/23/957746423.db2.gz	WUMDJZGWWUABPZ-NVXWUHKLSA-N	1	0	354.458	1.926	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)c3cncnc3CC)[C@H](C)C2)C1=O	ZINC001093201072	957777868	/nfs/dbraw/zinc/77/78/68/957777868.db2.gz	KHBPBLSPZZTCOZ-IIDMSEBBSA-N	1	0	371.485	1.124	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nccn3cc(C)nc23)C1	ZINC001197551406	972298282	/nfs/dbraw/zinc/29/82/82/972298282.db2.gz	KBHLJRIILZMENI-HZPDHXFCSA-N	1	0	357.458	1.559	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccnc(N(C)C)c3)C[C@H]21	ZINC000962015196	1013162269	/nfs/dbraw/zinc/16/22/69/1013162269.db2.gz	HBCUXVXLHWTBDQ-OIGVQNGMSA-N	1	0	370.497	1.675	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)C3CC(F)(F)C3)C[C@H]2C)C1=O	ZINC001093273589	957942890	/nfs/dbraw/zinc/94/28/90/957942890.db2.gz	CKXUEFHRTHLPLH-IIAWOOMASA-N	1	0	369.456	1.893	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3ccsn3)C[C@H]2C)C1=O	ZINC001093278926	957950729	/nfs/dbraw/zinc/95/07/29/957950729.db2.gz	FSRJHFQNEQRSKE-KFWWJZLASA-N	1	0	362.499	1.618	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C[C@H]2C)C1=O	ZINC001093280867	957957973	/nfs/dbraw/zinc/95/79/73/957957973.db2.gz	MIMAPDZESDKELC-VWQYPGANSA-N	1	0	359.514	1.894	20	30		FDEDRO
COC(=O)n1ncc(C#N)c1NC(=O)c1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1	ZINC001197620175	972313919	/nfs/dbraw/zinc/31/39/19/972313919.db2.gz	NVRLMPZMJUOJHQ-OAHLLOKOSA-N	1	0	369.381	1.188	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)C#CC2CC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccccn1)C2	ZINC001093442615	958081740	/nfs/dbraw/zinc/08/17/40/958081740.db2.gz	JHCNZAFEXOMXRA-UGESXGAOSA-N	1	0	367.493	1.961	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCn3ccnn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093443705	958086196	/nfs/dbraw/zinc/08/61/96/958086196.db2.gz	SJUQKOBSCOSOPD-PSBWJHGTSA-N	1	0	361.490	1.210	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncc4nc[nH]c43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093446490	958095126	/nfs/dbraw/zinc/09/51/26/958095126.db2.gz	IGXXWQCLLRBUTE-QSFMABPGSA-N	1	0	369.469	1.724	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C)nn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093446784	958096404	/nfs/dbraw/zinc/09/64/04/958096404.db2.gz	LZUFSIWNRRVBLB-MMTVNHQJSA-N	1	0	367.881	1.147	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc4n[nH]nc43)[C@H]2C(C)C)C[C@H]1O	ZINC001093446923	958097474	/nfs/dbraw/zinc/09/74/74/958097474.db2.gz	NWTUYFGNIUEJCR-HBXLWWENSA-N	1	0	367.453	1.171	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3ccn(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093447962	958103653	/nfs/dbraw/zinc/10/36/53/958103653.db2.gz	BTEJWRDVUHQZIM-IZBJGVDFSA-N	1	0	360.502	1.505	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc4[nH]ccc4c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093448777	958112050	/nfs/dbraw/zinc/11/20/50/958112050.db2.gz	CHKBSHPUGCSHRP-WIRSXHRWSA-N	1	0	366.465	1.727	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn4ncccc34)[C@@H]2C(C)C)C[C@H]1O	ZINC001093450113	958120678	/nfs/dbraw/zinc/12/06/78/958120678.db2.gz	KMCIXCGKVDWTMC-DLVXIWMQSA-N	1	0	369.469	1.495	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn4ccncc34)[C@H]2C(C)C)C[C@H]1O	ZINC001093450772	958128068	/nfs/dbraw/zinc/12/80/68/958128068.db2.gz	XOFTYKRXRNZDAC-PHXBYCTMSA-N	1	0	369.469	1.495	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(CCF)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093452099	958137997	/nfs/dbraw/zinc/13/79/97/958137997.db2.gz	CRBFEQAGAAZOPQ-VXIBKDFQSA-N	1	0	362.449	1.066	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(Cl)n(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093459622	958183519	/nfs/dbraw/zinc/18/35/19/958183519.db2.gz	VEEUNNQNLPFTDR-GZOSKZMVSA-N	1	0	364.877	1.286	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ncccc3OC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093463704	958196551	/nfs/dbraw/zinc/19/65/51/958196551.db2.gz	YGAQFYFAVMJCDA-DGQTTZFYSA-N	1	0	371.481	1.232	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cccnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093465493	958204100	/nfs/dbraw/zinc/20/41/00/958204100.db2.gz	KAXAWWISTLTCLD-QCFAMHMHSA-N	1	0	355.482	1.532	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C)[nH]c3=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001093465835	958206436	/nfs/dbraw/zinc/20/64/36/958206436.db2.gz	JUCGOBXGZWLDAX-WOCWXWTJSA-N	1	0	359.470	1.861	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnc(OCC)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093467091	958212228	/nfs/dbraw/zinc/21/22/28/958212228.db2.gz	SFQRWMMUAWWXMM-VGUOSERISA-N	1	0	371.481	1.693	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncc(C#C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093467858	958217334	/nfs/dbraw/zinc/21/73/34/958217334.db2.gz	WBCBSUIFEMIUOK-ANTGDGSKSA-N	1	0	351.450	1.276	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CC=C)C3)[C@@H]2C(C)C)nc1	ZINC001093471237	958233385	/nfs/dbraw/zinc/23/33/85/958233385.db2.gz	CKFPXTZZTNFAOZ-WERVVEIQSA-N	1	0	353.466	1.829	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cnn(CC)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093471375	958233449	/nfs/dbraw/zinc/23/34/49/958233449.db2.gz	DNPCPCLGLDLVGV-HNBVOPMISA-N	1	0	358.486	1.045	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CCF)C3)[C@H]2C(C)C)cn1	ZINC001093471432	958234326	/nfs/dbraw/zinc/23/43/26/958234326.db2.gz	DJTABSWPYAOIHR-MLYOOKFZSA-N	1	0	359.445	1.612	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncccc3OC)[C@H]2C(C)C)C[C@H]1O	ZINC001093471509	958234674	/nfs/dbraw/zinc/23/46/74/958234674.db2.gz	FISMSMQUYRKMRQ-OHRYMORCSA-N	1	0	357.454	1.303	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH]c4cccnc34)[C@H]2C(C)C)C[C@H]1O	ZINC001093471732	958235723	/nfs/dbraw/zinc/23/57/23/958235723.db2.gz	GLMVNCDQYAHGKK-PLOVASNDSA-N	1	0	366.465	1.776	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnon3)[C@H]2C(C)C)C[C@H]1O	ZINC001093474070	958245757	/nfs/dbraw/zinc/24/57/57/958245757.db2.gz	SACQHTNRYYWLNW-OEYIWLLWSA-N	1	0	354.838	1.402	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnon3)[C@H]2C(C)C)C[C@H]1O	ZINC001093474072	958246654	/nfs/dbraw/zinc/24/66/54/958246654.db2.gz	SACQHTNRYYWLNW-UYHMYPTGSA-N	1	0	354.838	1.402	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(C)c3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093453483	958263362	/nfs/dbraw/zinc/26/33/62/958263362.db2.gz	WDUKBPVYQKHBEX-DLVXIWMQSA-N	1	0	358.486	1.195	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccc(=O)[nH]c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093454243	958266281	/nfs/dbraw/zinc/26/62/81/958266281.db2.gz	ASFMCPUCXGGSFP-XNFNUYLZSA-N	1	0	359.470	1.482	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3nc(C)no3)[C@H]2C(C)C)C[C@H]1O	ZINC001093454253	958266453	/nfs/dbraw/zinc/26/64/53/958266453.db2.gz	AWAQJLKACOBYRI-VVWQDTPRSA-N	1	0	362.474	1.463	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN3CCCCC3=O)[C@H]2C(C)C)C[C@H]1O	ZINC001093454586	958267591	/nfs/dbraw/zinc/26/75/91/958267591.db2.gz	BCWNRJUGDMPAKG-YKCBXCCJSA-N	1	0	363.502	1.151	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3occ4c3CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093454997	958270806	/nfs/dbraw/zinc/27/08/06/958270806.db2.gz	ISHXROQVDRUNLH-VGUOSERISA-N	1	0	356.466	1.981	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(OC)cs3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093455589	958274186	/nfs/dbraw/zinc/27/41/86/958274186.db2.gz	OUXOFIGHAMDUQC-FXRXJOCMSA-N	1	0	362.495	1.970	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(=O)[nH]c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093480269	958301590	/nfs/dbraw/zinc/30/15/90/958301590.db2.gz	YCBQDLSMJGZQMW-HBXLWWENSA-N	1	0	359.470	1.943	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncc4n3CCCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093482130	958308564	/nfs/dbraw/zinc/30/85/64/958308564.db2.gz	ZWEDWGIEGSIPRL-WIRSXHRWSA-N	1	0	370.497	1.432	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncc4n3CCCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093482129	958308589	/nfs/dbraw/zinc/30/85/89/958308589.db2.gz	ZWEDWGIEGSIPRL-NEYJZJCJSA-N	1	0	370.497	1.432	20	30		FDEDRO
C#C[C@@H](NC(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1)[C@@H]1CCCO1	ZINC000773198524	958336892	/nfs/dbraw/zinc/33/68/92/958336892.db2.gz	GMXRVYQVDYGJOZ-MSOLQXFVSA-N	1	0	371.485	1.204	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3cnccn3)C[C@H]2C)cc1C#N	ZINC001093617823	958344940	/nfs/dbraw/zinc/34/49/40/958344940.db2.gz	GLYZGGFEVRKLLD-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNC(=O)C(F)(F)F	ZINC001110494773	972353764	/nfs/dbraw/zinc/35/37/64/972353764.db2.gz	XDMFDZSVFGRBFB-MCIONIFRSA-N	1	0	359.392	1.580	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2cnc(C(F)(F)F)nc2)[C@H](C)C1	ZINC001093677726	958530082	/nfs/dbraw/zinc/53/00/82/958530082.db2.gz	CBESJDCRZITFTL-NQBHXWOUSA-N	1	0	355.364	1.839	20	30		FDEDRO
Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)n1C1CC1	ZINC001093700071	958568904	/nfs/dbraw/zinc/56/89/04/958568904.db2.gz	XDNSTAGYYCXZMR-IUODEOHRSA-N	1	0	367.457	1.619	20	30		FDEDRO
CCCc1noc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)n1	ZINC001093722461	958597999	/nfs/dbraw/zinc/59/79/99/958597999.db2.gz	GRKOKFNUGNUEOV-CHWSQXEVSA-N	1	0	356.430	1.720	20	30		FDEDRO
CC(C)n1ncnc1C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC001093722662	958599136	/nfs/dbraw/zinc/59/91/36/958599136.db2.gz	ZQFVVHGDZRBCJX-ZIAGYGMSSA-N	1	0	355.446	1.557	20	30		FDEDRO
COc1nscc1C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC001093722648	958599425	/nfs/dbraw/zinc/59/94/25/958599425.db2.gz	YNHGOUFBJGZIHG-VXGBXAGGSA-N	1	0	359.455	1.849	20	30		FDEDRO
CC(C)c1nnc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)o1	ZINC001093722614	958599497	/nfs/dbraw/zinc/59/94/97/958599497.db2.gz	TUPIKFUSKIEHGS-CHWSQXEVSA-N	1	0	356.430	1.891	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001093729014	958622847	/nfs/dbraw/zinc/62/28/47/958622847.db2.gz	WEEJQPJPPNNKDW-IUODEOHRSA-N	1	0	370.432	1.511	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)cc3)[C@H](C)C2)o1	ZINC001093754685	958681920	/nfs/dbraw/zinc/68/19/20/958681920.db2.gz	JJFGHLLLDDBFRK-CXAGYDPISA-N	1	0	353.426	1.677	20	30		FDEDRO
CCn1nncc1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1	ZINC001093756218	958687615	/nfs/dbraw/zinc/68/76/15/958687615.db2.gz	IINULPJYWYUZMJ-CHWSQXEVSA-N	1	0	358.471	1.729	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]C[C@H]1COc2ccccc2O1	ZINC001093764097	958704631	/nfs/dbraw/zinc/70/46/31/958704631.db2.gz	OVPAXRIVVPBVAL-NXHRZFHOSA-N	1	0	354.450	1.924	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1	ZINC001093794064	958796044	/nfs/dbraw/zinc/79/60/44/958796044.db2.gz	HIBWKKUGCPATAE-ZYHUDNBSSA-N	1	0	355.870	1.071	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cn3nccn3)C[C@H]2C)cc1C#N	ZINC001093796393	958805236	/nfs/dbraw/zinc/80/52/36/958805236.db2.gz	NCWMXRHMGJTAIM-RHSMWYFYSA-N	1	0	368.441	1.043	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)cn2)[C@H](C)C1	ZINC001093832851	958925750	/nfs/dbraw/zinc/92/57/50/958925750.db2.gz	CTPKKHGVEVESQY-MDZRGWNJSA-N	1	0	358.461	1.502	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCC2([C@@H]3CCCCO3)CCC2)CC1	ZINC000636676130	1013184651	/nfs/dbraw/zinc/18/46/51/1013184651.db2.gz	DPYSDDMXAJJOBV-KRWDZBQOSA-N	1	0	363.502	1.609	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1	ZINC001093842637	958957284	/nfs/dbraw/zinc/95/72/84/958957284.db2.gz	FJIOWMMFBKGORD-MLGOLLRUSA-N	1	0	353.426	1.793	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093883129	959109066	/nfs/dbraw/zinc/10/90/66/959109066.db2.gz	HFSMLZDYMAJNHC-FHLIZLRMSA-N	1	0	354.454	1.269	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCCOCCN(C)C(=O)OC(C)(C)C)CC1	ZINC000862853440	972405971	/nfs/dbraw/zinc/40/59/71/972405971.db2.gz	CGVPQNGUFKKICW-UHFFFAOYSA-N	1	0	367.490	1.331	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3cncc(CC)c3)C[C@H]2C)C1=O	ZINC001093920102	959216361	/nfs/dbraw/zinc/21/63/61/959216361.db2.gz	SZUUWXSQSVNJMZ-ATZDWAIDSA-N	1	0	370.497	1.729	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(OCC3CC3)cn2)C1	ZINC001197752659	972415408	/nfs/dbraw/zinc/41/54/08/972415408.db2.gz	RVZYWTSSOVOQFK-IAOVAPTHSA-N	1	0	360.458	1.395	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCNC(=O)CC2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093943691	959305378	/nfs/dbraw/zinc/30/53/78/959305378.db2.gz	OCGXPKOQOBGKHY-ATZDWAIDSA-N	1	0	368.481	1.659	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nnnn3CCC)[C@H](C)C2)cc1	ZINC001093957652	959351679	/nfs/dbraw/zinc/35/16/79/959351679.db2.gz	RATWGMRQASJGBD-CRAIPNDOSA-N	1	0	366.469	1.562	20	30		FDEDRO
Cc1n[nH]nc1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)[C@H](C)C1	ZINC001093958888	959357567	/nfs/dbraw/zinc/35/75/67/959357567.db2.gz	KRFIBWVSIUAJOH-IAQYHMDHSA-N	1	0	356.405	1.622	20	30		FDEDRO
Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1	ZINC001093983852	959416130	/nfs/dbraw/zinc/41/61/30/959416130.db2.gz	GPISQLKMJFCFGV-CXAGYDPISA-N	1	0	365.437	1.860	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001094044364	959611071	/nfs/dbraw/zinc/61/10/71/959611071.db2.gz	UFSQBFXVURWIHY-PREXVCJDSA-N	1	0	358.417	1.003	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001094048181	959618482	/nfs/dbraw/zinc/61/84/82/959618482.db2.gz	NUFMBXQOWVMADD-AXUOBQJMSA-N	1	0	368.481	1.467	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001094049093	959624632	/nfs/dbraw/zinc/62/46/32/959624632.db2.gz	GCPGVJNDGWAJMK-OAFZBRQQSA-N	1	0	368.481	1.644	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001094055244	959645067	/nfs/dbraw/zinc/64/50/67/959645067.db2.gz	OMFOVPDPSGRQEM-CZUORRHYSA-N	1	0	370.432	1.632	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2csnc2OC)[C@H](C)C1	ZINC001094057510	959651493	/nfs/dbraw/zinc/65/14/93/959651493.db2.gz	NUOYRUSDBDSYGI-XOUADPBQSA-N	1	0	365.499	1.927	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+][C@H](C)c3cnc(C)cn3)[C@H](C)C2)nn1	ZINC001094095173	959771081	/nfs/dbraw/zinc/77/10/81/959771081.db2.gz	IBBUTWBPPDGQEB-FVQBIDKESA-N	1	0	369.473	1.621	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3cc(C)ncn3)[C@H](C)C2)nn1	ZINC001094095352	959772057	/nfs/dbraw/zinc/77/20/57/959772057.db2.gz	OPYQLOKSSSGQOM-UKRRQHHQSA-N	1	0	355.446	1.060	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3nncs3)[C@H](C)C2)nn1	ZINC001094100039	959784855	/nfs/dbraw/zinc/78/48/55/959784855.db2.gz	YQAGLNNQKXYKJJ-CHWSQXEVSA-N	1	0	361.475	1.204	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001094108397	959786058	/nfs/dbraw/zinc/78/60/58/959786058.db2.gz	ANOMILWOUBTIJX-IUODEOHRSA-N	1	0	356.405	1.324	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3ccnc(C)c3)C[C@H]2C)C1=O	ZINC001094121406	959821880	/nfs/dbraw/zinc/82/18/80/959821880.db2.gz	OJHRGFXTQBZJKL-ZTFGCOKTSA-N	1	0	356.470	1.475	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3cccnn3)C[C@H]2C)cc1C#N	ZINC001094125868	959832006	/nfs/dbraw/zinc/83/20/06/959832006.db2.gz	IRSNUIPVRHAMSU-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nnnn3C(C)C)[C@H](C)C2)nc1	ZINC001094172329	959970206	/nfs/dbraw/zinc/97/02/06/959970206.db2.gz	NEMAXTCJAFQNBI-GDBMZVCRSA-N	1	0	367.457	1.128	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)c3csnn3)[C@H](C)C2)nc1	ZINC001094174298	959977589	/nfs/dbraw/zinc/97/75/89/959977589.db2.gz	DREYHYARLKGQKB-VNHYZAJKSA-N	1	0	355.467	1.973	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3cc(CC)on3)C[C@H]2C)C1=O	ZINC001094174552	959978571	/nfs/dbraw/zinc/97/85/71/959978571.db2.gz	NOUMMBMWEMLWIO-IIAWOOMASA-N	1	0	360.458	1.322	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3cccc(OC)c3)C[C@H]2C)C1=O	ZINC001094184301	960062231	/nfs/dbraw/zinc/06/22/31/960062231.db2.gz	QPWHMXIPTVMSIC-SUMDDJOVSA-N	1	0	371.481	1.780	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+][C@H](C)c2nncn2C)[C@H](C)C1	ZINC001094188022	960068191	/nfs/dbraw/zinc/06/81/91/960068191.db2.gz	DMRKNFKEBQCSCD-GPMSIDNRSA-N	1	0	365.481	1.784	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+][C@H]2CCN(CC)C2=O)[C@H](C)C1	ZINC001094188184	960068792	/nfs/dbraw/zinc/06/87/92/960068792.db2.gz	ITQXQSPWCNZTRE-AHRSYUTCSA-N	1	0	367.493	1.515	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]Cc2cnsn2)[C@H](C)C1	ZINC001094188182	960069288	/nfs/dbraw/zinc/06/92/88/960069288.db2.gz	ITAFWWMDEKITCV-RHSMWYFYSA-N	1	0	354.479	1.946	20	30		FDEDRO
C#C[C@H](N[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCO1	ZINC000775789832	972479925	/nfs/dbraw/zinc/47/99/25/972479925.db2.gz	FFDNMGQNGPGQMK-BTHPGYMESA-N	1	0	355.482	1.536	20	30		FDEDRO
Cn1nccc1CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C#N)[nH]3)CCC[C@@H]12	ZINC001094396203	960345314	/nfs/dbraw/zinc/34/53/14/960345314.db2.gz	OISPLNVVSMJANV-UYAOXDASSA-N	1	0	366.469	1.837	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(CNC(C)=O)cc3)CCC[C@@H]12	ZINC001094463095	960459542	/nfs/dbraw/zinc/45/95/42/960459542.db2.gz	GAURDAPRVMIWIU-TZIWHRDSSA-N	1	0	353.466	1.930	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3nc4ncc(C)cn4n3)CCC[C@@H]12	ZINC001094443070	960506537	/nfs/dbraw/zinc/50/65/37/960506537.db2.gz	MWOACAOVHXVNAV-DNVCBOLYSA-N	1	0	352.442	1.430	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)c3nc4ncc(C)cn4n3)CCC[C@@H]12	ZINC001094443136	960507057	/nfs/dbraw/zinc/50/70/57/960507057.db2.gz	QBZYDSNAJIMRBT-DNVCBOLYSA-N	1	0	354.458	1.983	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@H]4CCNC4=O)CCC[C@@H]23)cc1	ZINC001094488021	960579258	/nfs/dbraw/zinc/57/92/58/960579258.db2.gz	IPVPSZOONHRZJC-WAOWUJCRSA-N	1	0	366.465	1.555	20	30		FDEDRO
C#C[C@@H]([NH2+]CCOc1ccc(S(=O)(=O)N(C)C)cc1)[C@H]1CCCO1	ZINC000775792879	972520253	/nfs/dbraw/zinc/52/02/53/972520253.db2.gz	IVDUKQAQECQDIH-IAGOWNOFSA-N	1	0	352.456	1.086	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3COCCN3CC(F)F)CCC[C@@H]12	ZINC001094477337	960648197	/nfs/dbraw/zinc/64/81/97/960648197.db2.gz	BTPSKGBDWJLMBG-GPMSIDNRSA-N	1	0	369.456	1.336	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cn(C)nc3[C@@H]3CCOC3)CCC[C@@H]12	ZINC001094477391	960648455	/nfs/dbraw/zinc/64/84/55/960648455.db2.gz	FFNGZCCXMDYMFK-WRWLIDTKSA-N	1	0	356.470	1.532	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3COCCN3CCCC)CCC[C@@H]12	ZINC001094478663	960656023	/nfs/dbraw/zinc/65/60/23/960656023.db2.gz	ZMKKVTQQIJPIFX-QKNQBKEWSA-N	1	0	361.530	1.871	20	30		FDEDRO
C#C[C@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)[C@@H]1CCCO1	ZINC000775792733	972523569	/nfs/dbraw/zinc/52/35/69/972523569.db2.gz	SNUTVZVRYVMOIB-KBMXLJTQSA-N	1	0	354.244	1.959	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccnn1C)CC2	ZINC001094515806	960708426	/nfs/dbraw/zinc/70/84/26/960708426.db2.gz	LIZKGYWFXBTGMM-AJYBTWMASA-N	1	0	358.486	1.872	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4nnnn4CC3)CCC[C@@H]12	ZINC001094518323	960712998	/nfs/dbraw/zinc/71/29/98/960712998.db2.gz	CJHYGDPGUYRCDA-GPMSIDNRSA-N	1	0	356.474	1.010	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3cn(C[C@@H]4CCOC4)nn3)CCC[C@@H]12	ZINC001094548042	960725950	/nfs/dbraw/zinc/72/59/50/960725950.db2.gz	MEPDYOBKGNZNKA-KVSKMBFKSA-N	1	0	359.474	1.475	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)C3CCS(=O)(=O)CC3)CCC[C@@H]12	ZINC001094526902	960726597	/nfs/dbraw/zinc/72/65/97/960726597.db2.gz	FBDFIRQIIIHLDE-SJLPKXTDSA-N	1	0	354.516	1.748	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3nnn(C)c3C(F)(F)F)CCC[C@@H]12	ZINC001094532889	960747474	/nfs/dbraw/zinc/74/74/74/960747474.db2.gz	SPHBIUYTRVPNSD-IAQYHMDHSA-N	1	0	355.364	1.442	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccccc3C(=O)N(C)C)CCC[C@@H]12	ZINC001094563623	960821464	/nfs/dbraw/zinc/82/14/64/960821464.db2.gz	IRMMHJWNXHLBJC-WIYYLYMNSA-N	1	0	353.466	1.996	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@]3(CNC(=O)c4cccnn4)CCC[C@@H]23)C1=O	ZINC001094543406	960787768	/nfs/dbraw/zinc/78/77/68/960787768.db2.gz	ITBGTXUGVAYUMW-MBOZVWFJSA-N	1	0	369.469	1.238	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@@]3(CNC(=O)c4ccn(C)n4)CCC[C@@H]23)C1=O	ZINC001094579154	960871641	/nfs/dbraw/zinc/87/16/41/960871641.db2.gz	WPMCUANQRZIYAP-SQGPQFPESA-N	1	0	371.485	1.181	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc(Cn4cccn4)on3)CCC[C@@H]12	ZINC001094557060	960910942	/nfs/dbraw/zinc/91/09/42/960910942.db2.gz	DIYFKRFEEOEJDY-IEBWSBKVSA-N	1	0	353.426	1.527	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccnc(-n4cncn4)c3)CCC[C@@H]12	ZINC001094588541	960918438	/nfs/dbraw/zinc/91/84/38/960918438.db2.gz	UJEQGFUNQORQDV-YLJYHZDGSA-N	1	0	364.453	1.660	20	30		FDEDRO
C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C[C@H]1C	ZINC001181793454	961117079	/nfs/dbraw/zinc/11/70/79/961117079.db2.gz	SJULZYSRTGSJLP-QQTQMKHKSA-N	1	0	358.486	1.688	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCCC)C2)C1	ZINC001094791299	961171979	/nfs/dbraw/zinc/17/19/79/961171979.db2.gz	AHZYCZGWXPHEPC-IEZWGBDMSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]([N@@H+](C)CC)C2)c1	ZINC001181837995	961197315	/nfs/dbraw/zinc/19/73/15/961197315.db2.gz	AOKCFBHRWVYJNN-OAHLLOKOSA-N	1	0	351.472	1.317	20	30		FDEDRO
C[C@H](CC#N)[NH2+]CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC001171640733	961243085	/nfs/dbraw/zinc/24/30/85/961243085.db2.gz	CSWHBOCWISLKKZ-CQSZACIVSA-N	1	0	364.471	1.691	20	30		FDEDRO
C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	ZINC001171879240	961356870	/nfs/dbraw/zinc/35/68/70/961356870.db2.gz	RNTVLLUVQIUCGT-QRVBRYPASA-N	1	0	367.534	1.707	20	30		FDEDRO
C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@@H+]([C@@H]1CCN(C3CC3)C(=O)C1)C2	ZINC001172011899	961384405	/nfs/dbraw/zinc/38/44/05/961384405.db2.gz	SZSBPTRQFVXWHX-NQIIRXRSSA-N	1	0	374.529	1.323	20	30		FDEDRO
C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@@H+]([C@@H]1CCN(CC)C(=O)C1)C2	ZINC001172040142	961438810	/nfs/dbraw/zinc/43/88/10/961438810.db2.gz	TXBHFPZKDZMGEO-XLIONFOSSA-N	1	0	362.518	1.180	20	30		FDEDRO
CNC(=O)CO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@H](C)Cc1ccc(C#N)cc1)C2	ZINC001172304729	961615493	/nfs/dbraw/zinc/61/54/93/961615493.db2.gz	PGQFZEKSZBEHNG-PBEJRMEISA-N	1	0	371.481	1.875	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@@H]2COC[C@]2(COCC(=O)N(C)C)C1	ZINC001172305430	961615962	/nfs/dbraw/zinc/61/59/62/961615962.db2.gz	SJOUBZWBRBIJBI-SCWSEQNSSA-N	1	0	371.481	1.542	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)N([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccccn1	ZINC001172310858	961617573	/nfs/dbraw/zinc/61/75/73/961617573.db2.gz	KHBTXRZXQLHFBQ-CRAIPNDOSA-N	1	0	370.478	1.937	20	30		FDEDRO
C[C@H](CCCC#N)[NH2+][C@H]1CCc2c(ccc(=O)n2CCN2CCCC2=O)C1	ZINC001172481213	961666472	/nfs/dbraw/zinc/66/64/72/961666472.db2.gz	QUIWUBWZYPKHPT-AEFFLSMTSA-N	1	0	370.497	2.000	20	30		FDEDRO
C[C@H](CCCC#N)[NH2+][C@@H]1CCS(=O)(=O)C12CN(C(=O)OC(C)(C)C)C2	ZINC001172479722	961666546	/nfs/dbraw/zinc/66/65/46/961666546.db2.gz	KDTBZZZAZKHZST-ZIAGYGMSSA-N	1	0	371.503	1.835	20	30		FDEDRO
CCCCCCCC[C@H](CC)[NH2+]CC(=O)NCC(=O)NCC(=O)OCC	ZINC001172502342	961689489	/nfs/dbraw/zinc/68/94/89/961689489.db2.gz	IRRIDVOWGIUHKA-INIZCTEOSA-N	1	0	371.522	1.901	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H](N2CC[NH+](CCCO)CC2)C[C@H]1C#N	ZINC001172990958	961900957	/nfs/dbraw/zinc/90/09/57/961900957.db2.gz	ZMKXWXDLRXTQJO-HOTGVXAUSA-N	1	0	352.479	1.278	20	30		FDEDRO
C=CCOC1CCC([NH2+][C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CC1	ZINC001173319527	962019907	/nfs/dbraw/zinc/01/99/07/962019907.db2.gz	LPZVFUJJRSMGOT-RXQRSOPUSA-N	1	0	373.497	1.691	20	30		FDEDRO
N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC[C@@H]1CCCO1	ZINC001110301707	962073100	/nfs/dbraw/zinc/07/31/00/962073100.db2.gz	KJKUVLWQJDVWNJ-QXSJWSMHSA-N	1	0	353.488	1.160	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([N@@H+]3CCN4CCOC[C@@H]4C3)CC2)cc1	ZINC001173430195	962146419	/nfs/dbraw/zinc/14/64/19/962146419.db2.gz	ODEUACJVVLSYBW-IBGZPJMESA-N	1	0	354.454	1.179	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([N@@H+]3CC[C@@H](N4CCOCC4)C3)CC2)cc1	ZINC001173431383	962147736	/nfs/dbraw/zinc/14/77/36/962147736.db2.gz	HSAWXUWRBFGSFI-HXUWFJFHSA-N	1	0	368.481	1.569	20	30		FDEDRO
COCC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C[C@H]1C	ZINC001182677968	962387862	/nfs/dbraw/zinc/38/78/62/962387862.db2.gz	YUMGSPASXKKANR-MJKGWSOKSA-N	1	0	358.486	1.248	20	30		FDEDRO
CC#CC[C@H](CO)[NH2+]Cc1cn(CC(=O)OCC)nc1-c1cccnc1	ZINC001182654178	962408027	/nfs/dbraw/zinc/40/80/27/962408027.db2.gz	NQGLJRASEWHUJO-QGZVFWFLSA-N	1	0	356.426	1.372	20	30		FDEDRO
CC1(C#N)CCC(N(Cc2ncn3c2C[NH2+]CCC3)S(C)(=O)=O)CC1	ZINC001173594955	962470506	/nfs/dbraw/zinc/47/05/06/962470506.db2.gz	IUDHRGQWWCAQEY-UHFFFAOYSA-N	1	0	365.503	1.610	20	30		FDEDRO
N#Cc1ccc(N2CCC[N@@H+]([C@@H]3CCC[C@H](n4ncnn4)C3)CC2)nc1	ZINC001173762414	962650829	/nfs/dbraw/zinc/65/08/29/962650829.db2.gz	BORWKBWEZHUPAA-SJORKVTESA-N	1	0	352.446	1.636	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1	ZINC000957522091	1013366629	/nfs/dbraw/zinc/36/66/29/1013366629.db2.gz	IMDVTRZSACQCDB-VQIMIIECSA-N	1	0	365.477	1.269	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)NS(=O)(=O)Cc1ccccc1	ZINC001182974333	962734217	/nfs/dbraw/zinc/73/42/17/962734217.db2.gz	BCESDZGWPFRPBJ-RDJZCZTQSA-N	1	0	365.499	1.261	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CCC2(C[C@H](c3cnn(C)c3)CO2)CC1	ZINC001183043325	962755157	/nfs/dbraw/zinc/75/51/57/962755157.db2.gz	QBEVGTQJMXDESS-KRWDZBQOSA-N	1	0	358.486	1.937	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC1CCCCC1	ZINC001110182889	963096792	/nfs/dbraw/zinc/09/67/92/963096792.db2.gz	DASQUQUTISEAST-RANZSIQMSA-N	1	0	363.502	1.748	20	30		FDEDRO
C[C@@H](CCCC[NH2+]Cc1cc(F)ccc1C#N)NC(=O)[C@H]1C[C@H]1C(N)=O	ZINC001175288789	963123181	/nfs/dbraw/zinc/12/31/81/963123181.db2.gz	NDSGOJPDGRRFOX-VUCTXSBTSA-N	1	0	360.433	1.583	20	30		FDEDRO
CC[C@H]1CCN(CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1=O	ZINC001183675793	963217714	/nfs/dbraw/zinc/21/77/14/963217714.db2.gz	ZQESZRJRIZRPHK-SFHVURJKSA-N	1	0	368.481	1.919	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=O)N(C)CC	ZINC001175664247	963260603	/nfs/dbraw/zinc/26/06/03/963260603.db2.gz	RYTKNBFUGYYNOB-RYRKJORJSA-N	1	0	353.507	1.711	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N(C)CC[N@H+](C)C1CCN(C)CC1	ZINC000774732801	963498940	/nfs/dbraw/zinc/49/89/40/963498940.db2.gz	ZISDKKLWBNKDQV-IBGZPJMESA-N	1	0	358.486	1.730	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(OC)ncnc1OC)C2	ZINC001110198435	963572931	/nfs/dbraw/zinc/57/29/31/963572931.db2.gz	WVSHDQNGVFWTNS-RDBSUJKOSA-N	1	0	362.430	1.032	20	30		FDEDRO
Cn1nccc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C1	ZINC001184491934	963617370	/nfs/dbraw/zinc/61/73/70/963617370.db2.gz	DCCBCUSSNLVKKF-GUDVDZBRSA-N	1	0	366.440	1.905	20	30		FDEDRO
N#Cc1nc(N)c(NC(=O)C2CC[NH+](Cc3ccccn3)CC2)nc1C#N	ZINC001177206815	963703709	/nfs/dbraw/zinc/70/37/09/963703709.db2.gz	GIQQIJWQKLCDHK-UHFFFAOYSA-N	1	0	362.397	1.048	20	30		FDEDRO
C#CCCCNC(=O)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1	ZINC000774811559	963793148	/nfs/dbraw/zinc/79/31/48/963793148.db2.gz	NQQGEJWNDRTIFW-SFHVURJKSA-N	1	0	357.454	1.478	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)cc1C#N	ZINC000774813730	963796363	/nfs/dbraw/zinc/79/63/63/963796363.db2.gz	GGONPRZCLNEZGG-UHFFFAOYSA-N	1	0	372.469	1.564	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)CC1	ZINC000774824663	963799387	/nfs/dbraw/zinc/79/93/87/963799387.db2.gz	WEYWQHFUEBLTAG-OAQYLSRUSA-N	1	0	371.481	1.522	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CCC[NH2+]CC(=O)NC)CC1CCCC1	ZINC001177440774	963845768	/nfs/dbraw/zinc/84/57/68/963845768.db2.gz	RBHQWEVBPHSZEM-HKUYNNGSSA-N	1	0	365.518	1.712	20	30		FDEDRO
CC(C)([NH3+])CN(C(=O)C#Cc1cccnc1)S(=O)(=O)c1ccccc1	ZINC001177779606	963969420	/nfs/dbraw/zinc/96/94/20/963969420.db2.gz	BODZUFUSNTXETQ-UHFFFAOYSA-N	1	0	357.435	1.388	20	30		FDEDRO
C#CCCCNC(=O)C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1	ZINC000774913495	964042685	/nfs/dbraw/zinc/04/26/85/964042685.db2.gz	DFDWPPWBYXFQKI-KRWDZBQOSA-N	1	0	357.454	1.478	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCc2ccccc2C)C1	ZINC001185749639	964104727	/nfs/dbraw/zinc/10/47/27/964104727.db2.gz	LWWDTCDKEGGKSB-QRVBRYPASA-N	1	0	371.481	1.393	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccco2)C1	ZINC001185791534	964120128	/nfs/dbraw/zinc/12/01/28/964120128.db2.gz	GRKHAOXDEUQHID-BZUAXINKSA-N	1	0	358.442	1.336	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cc2cncn2C)C1	ZINC001186203147	964349927	/nfs/dbraw/zinc/34/99/27/964349927.db2.gz	DJNNITUWJMWUSH-YLJYHZDGSA-N	1	0	368.456	1.957	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cn2ccnc2)C1	ZINC001186203995	964351721	/nfs/dbraw/zinc/35/17/21/964351721.db2.gz	XGNQMDQYUSYEAW-IEBWSBKVSA-N	1	0	354.429	1.877	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC(C)(C)C)[C@@H]1C	ZINC001178726259	964364842	/nfs/dbraw/zinc/36/48/42/964364842.db2.gz	ZCJLTRGUQVIRDJ-YVSFHVDLSA-N	1	0	365.518	1.709	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](C[NH2+]CCOC)C2(C1)CCOCC2	ZINC001186494737	964523149	/nfs/dbraw/zinc/52/31/49/964523149.db2.gz	OOKNBWQJFHNJCL-BBWFWOEESA-N	1	0	352.475	1.069	20	30		FDEDRO
C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCO[C@H]2C(=C)C)CC12CCOCC2	ZINC001186520966	964546431	/nfs/dbraw/zinc/54/64/31/964546431.db2.gz	BLCRNDLWFBUCQK-FHWLQOOXSA-N	1	0	360.498	1.836	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC#CC)C2(C1)CCOCC2	ZINC001186522536	964547350	/nfs/dbraw/zinc/54/73/50/964547350.db2.gz	UERDZMIVBWTUJL-QYZOEREBSA-N	1	0	360.498	1.836	20	30		FDEDRO
C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)[C@H]1C	ZINC001178990188	964600890	/nfs/dbraw/zinc/60/08/90/964600890.db2.gz	MFDPBRKZSBTWOL-FQUUOJAGSA-N	1	0	366.380	1.114	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1cccc(C[NH+](CC)CC)c1)[C@H]1CCCO1	ZINC000773787702	964602377	/nfs/dbraw/zinc/60/23/77/964602377.db2.gz	JEXUHDMVEHISTQ-ZWKOTPCHSA-N	1	0	357.454	1.764	20	30		FDEDRO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1c(Br)cccc1C#N	ZINC001186803214	964728255	/nfs/dbraw/zinc/72/82/55/964728255.db2.gz	AHBSWNRNZGYWDV-LLVKDONJSA-N	1	0	351.248	1.877	20	30		FDEDRO
C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@@H]1C[C@]1(C)c1ccccc1	ZINC001179184181	964746914	/nfs/dbraw/zinc/74/69/14/964746914.db2.gz	OHFVVISCWGPIJX-JWWIWJDOSA-N	1	0	354.454	1.183	20	30		FDEDRO
C#CC[NH+]1CCC2(CCN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)CC2)CC1	ZINC000957579546	1013524047	/nfs/dbraw/zinc/52/40/47/1013524047.db2.gz	RJOCWUZVONOXAB-SJORKVTESA-N	1	0	361.486	1.137	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ncnn2CC(F)F)C1	ZINC000962322274	1013531890	/nfs/dbraw/zinc/53/18/90/1013531890.db2.gz	UFALITDEIJTDLW-PQAZSJQKSA-N	1	0	369.416	1.119	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)Nc2nccs2)[C@@H]1C	ZINC001179565353	964901597	/nfs/dbraw/zinc/90/15/97/964901597.db2.gz	FPKXUIFZOFDOMJ-CRWXNKLISA-N	1	0	364.471	1.252	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+]CC(=O)NCC1CC1	ZINC001179633280	964940594	/nfs/dbraw/zinc/94/05/94/964940594.db2.gz	BAJPEZMEIISXEV-SJORKVTESA-N	1	0	351.491	1.370	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+]C[C@@H]1CCNC(=O)CC1	ZINC001179633378	964940611	/nfs/dbraw/zinc/94/06/11/964940611.db2.gz	DLURPXPJRMAVOX-KSZLIROESA-N	1	0	365.518	1.760	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+][C@H]1CCN(C(C)C)C1=O	ZINC001179637870	964941635	/nfs/dbraw/zinc/94/16/35/964941635.db2.gz	BBLCOZAEUJHBDX-SQNIBIBYSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCCCC[NH2+]CCOCCOC	ZINC001179797038	964992204	/nfs/dbraw/zinc/99/22/04/964992204.db2.gz	IKXVIAIVKZWYTJ-ROUUACIJSA-N	1	0	356.507	1.897	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC[C@H]1CCCCO1	ZINC001110390183	965055322	/nfs/dbraw/zinc/05/53/22/965055322.db2.gz	BKYFPJOBKRFFMY-TVFCKZIOSA-N	1	0	352.475	1.496	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C(N)=O)cc3)C[C@H]21	ZINC001187217115	965137252	/nfs/dbraw/zinc/13/72/52/965137252.db2.gz	LNTHOSWMULEJKA-AYOQOUSVSA-N	1	0	371.481	1.799	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)c3cccc(OC)c3)C[C@H]21	ZINC001187326738	965193234	/nfs/dbraw/zinc/19/32/34/965193234.db2.gz	QUBPHPXOWMIIAK-QXAKKESOSA-N	1	0	360.454	1.464	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]21	ZINC001187472421	965383169	/nfs/dbraw/zinc/38/31/69/965383169.db2.gz	IGNXKZQCCHPXFZ-ZWKOTPCHSA-N	1	0	363.502	1.514	20	30		FDEDRO
CC(C)COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1	ZINC001187598341	965519800	/nfs/dbraw/zinc/51/98/00/965519800.db2.gz	MULGMRIGYIKKOC-BMGDILEWSA-N	1	0	360.458	1.066	20	30		FDEDRO
CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1	ZINC001187598292	965520323	/nfs/dbraw/zinc/52/03/23/965520323.db2.gz	KOYXYTDHTSZPSA-GRDNDAEWSA-N	1	0	357.458	1.290	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3C[N@H+](CCCO[C@H]4CCOC4)C[C@H]32)c[nH]1	ZINC001187569525	965533775	/nfs/dbraw/zinc/53/37/75/965533775.db2.gz	PJTGPNHBECYEMZ-JCGIZDLHSA-N	1	0	358.442	1.228	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H](CC#N)C(=O)N1Cc2ccccc2C[C@H]1C[NH3+]	ZINC001180784078	965549754	/nfs/dbraw/zinc/54/97/54/965549754.db2.gz	BFWCXVSHLPDZQS-HOTGVXAUSA-N	1	0	358.442	1.706	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)COCc3ccccc3)C[C@H]21	ZINC001187713512	965656134	/nfs/dbraw/zinc/65/61/34/965656134.db2.gz	BXLDSQHWRJEECM-PCCBWWKXSA-N	1	0	370.493	1.900	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ncc[nH]3)[C@@H]2C1	ZINC001187803495	965746075	/nfs/dbraw/zinc/74/60/75/965746075.db2.gz	CGYODHPOGXGZGF-HRCADAONSA-N	1	0	359.474	1.369	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+]([C@@H](C)C(=O)NC)CC2	ZINC000957608622	1013595378	/nfs/dbraw/zinc/59/53/78/1013595378.db2.gz	WFBKTTUZWOFLPC-BBWFWOEESA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](CCc3ccc4c(c3)CCO4)C[C@H]21	ZINC001187865257	965810257	/nfs/dbraw/zinc/81/02/57/965810257.db2.gz	NMCMXQOQPFURRP-LSTHTHJFSA-N	1	0	368.477	1.735	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ncnc4sccc43)[C@@H]2C1	ZINC001187971302	965933257	/nfs/dbraw/zinc/93/32/57/965933257.db2.gz	HFUBKRJMJYWGDH-DZGCQCFKSA-N	1	0	356.451	1.487	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)NC(=O)COC)[C@@H]2C1	ZINC001187996116	965950028	/nfs/dbraw/zinc/95/00/28/965950028.db2.gz	AOBJRLVSZDRPAV-YESZJQIVSA-N	1	0	351.491	1.417	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3COc4ccccc4O3)[C@@H]2C1	ZINC001188050766	965968011	/nfs/dbraw/zinc/96/80/11/965968011.db2.gz	FLTIWPBMDHFWGY-RCCFBDPRSA-N	1	0	370.449	1.399	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21	ZINC001188033343	965982161	/nfs/dbraw/zinc/98/21/61/965982161.db2.gz	GCHVECLQQUCATO-GBESFXJTSA-N	1	0	358.486	1.545	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c(C)cccc3C)[C@@H]2C1	ZINC001188064061	965987641	/nfs/dbraw/zinc/98/76/41/965987641.db2.gz	YVGKRXMUZFGQKD-WSTZPKSXSA-N	1	0	367.493	1.517	20	30		FDEDRO
C=C(C)CCC(=O)N1CC[C@H]2CN(CC3(CS(C)(=O)=O)CC3)C[C@H]21	ZINC001188080707	965996284	/nfs/dbraw/zinc/99/62/84/965996284.db2.gz	HNDGJLXAPAUHSC-JKSUJKDBSA-N	1	0	354.516	1.700	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@@H+](CCCNS(=O)(=O)CC)C[C@H]21	ZINC001188057324	966016603	/nfs/dbraw/zinc/01/66/03/966016603.db2.gz	XZQGKXDNLKWQNV-JKSUJKDBSA-N	1	0	371.547	1.451	20	30		FDEDRO
CC(C)C[C@H](NC(=O)c1ccccc1CN1CC[NH+](C)CC1)C(=O)NO	ZINC001188370964	966243115	/nfs/dbraw/zinc/24/31/15/966243115.db2.gz	VKHAQEVURIXGEA-KRWDZBQOSA-N	1	0	362.474	1.084	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cnc4c(c3)nnn4C)[C@@H]2C1	ZINC001188577053	966431666	/nfs/dbraw/zinc/43/16/66/966431666.db2.gz	ILBIRQCIGNEVEC-JKIFEVAISA-N	1	0	354.458	1.864	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cnc4c(c3)nnn4C)[C@@H]2C1	ZINC001188577051	966431901	/nfs/dbraw/zinc/43/19/01/966431901.db2.gz	ILBIRQCIGNEVEC-GRDNDAEWSA-N	1	0	354.458	1.864	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cncc(C)c3)[C@@H]2C1	ZINC001188690731	966499906	/nfs/dbraw/zinc/49/99/06/966499906.db2.gz	PGHJWEJUPCFEBR-BPQIPLTHSA-N	1	0	356.470	1.156	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3OCCc4ccccc43)[C@@H]2C1	ZINC001188753161	966525280	/nfs/dbraw/zinc/52/52/80/966525280.db2.gz	RUWOWQUBAAUVBM-SXLOBPIMSA-N	1	0	354.450	1.483	20	30		FDEDRO
CCO[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC#CCOC)C[C@H]21)C1CCOCC1	ZINC001188715420	966531277	/nfs/dbraw/zinc/53/12/77/966531277.db2.gz	QKHFVSKWWJRBNP-IPMKNSEASA-N	1	0	364.486	1.001	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cnc4c(c3)c(C)nn4C)[C@@H]2C1	ZINC001188724638	966538261	/nfs/dbraw/zinc/53/82/61/966538261.db2.gz	YNGQGNHSXARWDY-MAUKXSAKSA-N	1	0	369.469	1.626	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(CC(=O)NCC(C)C)C[C@H]32)cc1	ZINC001188744768	966552327	/nfs/dbraw/zinc/55/23/27/966552327.db2.gz	RDFANLYFGAYSBJ-RBUKOAKNSA-N	1	0	353.466	1.586	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@H+](CCNC(=O)NC(C)C)C[C@H]21	ZINC001188909687	966650158	/nfs/dbraw/zinc/65/01/58/966650158.db2.gz	WRVAWISJBMNJBS-IXDOHACOSA-N	1	0	350.507	1.829	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN(CC(F)F)C3)[C@@H]2C1	ZINC001188963786	966677307	/nfs/dbraw/zinc/67/73/07/966677307.db2.gz	RQWVZLPBGPGUSK-GVDBMIGSSA-N	1	0	371.472	1.699	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(N4CCCC4)ncn3)[C@@H]2C1	ZINC001189126048	966779503	/nfs/dbraw/zinc/77/95/03/966779503.db2.gz	ADVWIIYTVKARNG-FUHWJXTLSA-N	1	0	371.485	1.426	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccsc3C)[C@@H]2C1	ZINC001189324616	966911572	/nfs/dbraw/zinc/91/15/72/966911572.db2.gz	KVDXQGOMNRFVCD-RRQGHBQHSA-N	1	0	361.511	1.822	20	30		FDEDRO
Cn1nc(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)ccc1=O	ZINC001189501939	967016367	/nfs/dbraw/zinc/01/63/67/967016367.db2.gz	QZDVDDFZGJJZJA-QAQDUYKDSA-N	1	0	365.437	1.564	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-c4nc[nH]n4)cc3)[C@@H]2C1	ZINC001189635351	967096741	/nfs/dbraw/zinc/09/67/41/967096741.db2.gz	QJDUQHCXZXNQBQ-ZWKOTPCHSA-N	1	0	365.437	1.268	20	30		FDEDRO
C#C[C@H](NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CCOCC1	ZINC000852248273	967147885	/nfs/dbraw/zinc/14/78/85/967147885.db2.gz	FNHFUZWFHCNEMU-UXHICEINSA-N	1	0	371.481	1.481	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CCCOC3CCOCC3)[C@@H]2C1	ZINC001189749580	967221811	/nfs/dbraw/zinc/22/18/11/967221811.db2.gz	WRCXGZCELWYBBS-PKOBYXMFSA-N	1	0	366.502	1.698	20	30		FDEDRO
C#C[C@H](NC(=O)NCc1ccncc1OCCC[NH+](C)C)C1CCOCC1	ZINC000852344869	967238749	/nfs/dbraw/zinc/23/87/49/967238749.db2.gz	SXLVZIIUVVTXRT-SFHVURJKSA-N	1	0	374.485	1.640	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1	ZINC000964548003	1013711434	/nfs/dbraw/zinc/71/14/34/1013711434.db2.gz	UWMGSVKHHZLYHU-ATZDWAIDSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852448188	967322209	/nfs/dbraw/zinc/32/22/09/967322209.db2.gz	HLROETDMPQFEGY-ZDUSSCGKSA-N	1	0	353.344	1.236	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](CCCC)C(N)=O)C[C@H]32)nc1	ZINC001189843864	967344825	/nfs/dbraw/zinc/34/48/25/967344825.db2.gz	NEYVDZCGZISSND-RYQLBKOJSA-N	1	0	354.454	1.253	20	30		FDEDRO
C=CCNC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1	ZINC000852473100	967357129	/nfs/dbraw/zinc/35/71/29/967357129.db2.gz	JCNHMRMTPLYSNL-UONOGXRCSA-N	1	0	361.408	1.944	20	30		FDEDRO
C#CCN1CCN(C(=O)CN2CC[C@H]([N@H+](C)CCc3ccccc3)C2)CC1	ZINC000852515149	967386386	/nfs/dbraw/zinc/38/63/86/967386386.db2.gz	QCOYQLYQIULOAS-NRFANRHFSA-N	1	0	368.525	1.013	20	30		FDEDRO
N#Cc1cccc(C2([NH2+][C@H]3CCN(C4CCOCC4)C3=O)CCOCC2)c1	ZINC000852562800	967428607	/nfs/dbraw/zinc/42/86/07/967428607.db2.gz	FKBJXULYWBDYBR-IBGZPJMESA-N	1	0	369.465	1.933	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](O)COCC(C)C)CCC1	ZINC001110652661	967465617	/nfs/dbraw/zinc/46/56/17/967465617.db2.gz	OIAQQHXDLJHLBT-MKXGPGLRSA-N	1	0	362.514	1.935	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cccc(OC)c3)[C@@H]2C1	ZINC001190020017	967469734	/nfs/dbraw/zinc/46/97/34/967469734.db2.gz	UNADRQKQKIVBSC-HHXXYDBFSA-N	1	0	371.481	1.461	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CNC(=O)c3cccc(C)c3)[C@@H]2C1	ZINC001190020237	967471703	/nfs/dbraw/zinc/47/17/03/967471703.db2.gz	XWDKIDIABJFWJE-RBUKOAKNSA-N	1	0	371.481	1.460	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)COC[C@@H](C)c3ccccc3)[C@@H]2C1	ZINC001189985380	967476219	/nfs/dbraw/zinc/47/62/19/967476219.db2.gz	BFLSTSHNWKXOHQ-HLAWJBBLSA-N	1	0	370.493	1.989	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C(C)=O)CCO3)[C@@H]2C1	ZINC001189986330	967480040	/nfs/dbraw/zinc/48/00/40/967480040.db2.gz	LOQOFGUFAMLRCA-OTWHNJEPSA-N	1	0	363.502	1.513	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)C1CCOCC1	ZINC000852640552	967491257	/nfs/dbraw/zinc/49/12/57/967491257.db2.gz	DTHBBTOQHFNECJ-LJQANCHMSA-N	1	0	363.502	1.559	20	30		FDEDRO
C#C[C@H](NC(=O)N1CC[C@H](OCC[NH+](CC)CC)C1)C1CCOCC1	ZINC000852644477	967496288	/nfs/dbraw/zinc/49/62/88/967496288.db2.gz	PKFSFKUMAUPFPS-ROUUACIJSA-N	1	0	351.491	1.557	20	30		FDEDRO
CCOc1ccc(CC(=O)N2CC[C@H]3C[N@H+](CC#CCOC)C[C@H]32)cc1	ZINC001190050899	967517154	/nfs/dbraw/zinc/51/71/54/967517154.db2.gz	PBKFJEWFVVDPQR-AZUAARDMSA-N	1	0	356.466	1.810	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccccc3C)[C@@H]2C1	ZINC001190101373	967537814	/nfs/dbraw/zinc/53/78/14/967537814.db2.gz	ZFJFAZOHEASUPP-YTQUADARSA-N	1	0	353.466	1.208	20	30		FDEDRO
N#Cc1cccnc1NCCNC(=O)NCC1CC[NH+](CC2CC2)CC1	ZINC000852706955	967547927	/nfs/dbraw/zinc/54/79/27/967547927.db2.gz	CTLBJASRMZGOJW-UHFFFAOYSA-N	1	0	356.474	1.786	20	30		FDEDRO
C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N	ZINC001190148662	967561860	/nfs/dbraw/zinc/56/18/60/967561860.db2.gz	YCJWALXHGLLBBU-WFASDCNBSA-N	1	0	364.427	1.714	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CC2([NH3+])CC2)cc1	ZINC000852818100	967630961	/nfs/dbraw/zinc/63/09/61/967630961.db2.gz	QAPALTGSROFBMY-XMHGGMMESA-N	1	0	350.444	1.319	20	30		FDEDRO
COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C#CC1CC[NH2+]CC1	ZINC000852822063	967633321	/nfs/dbraw/zinc/63/33/21/967633321.db2.gz	HPLZJCJVCFIYIY-UHFFFAOYSA-N	1	0	371.437	1.109	20	30		FDEDRO
C=CC[C@@]1(C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)CCC[NH2+]1	ZINC000852849337	967655299	/nfs/dbraw/zinc/65/52/99/967655299.db2.gz	FELABBMFKKFICL-ZDUSSCGKSA-N	1	0	369.409	1.115	20	30		FDEDRO
COc1ccc(C)cc1CN1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1	ZINC000852855675	967660547	/nfs/dbraw/zinc/66/05/47/967660547.db2.gz	MMRNLOPWJVIPDM-UHFFFAOYSA-N	1	0	355.482	1.651	20	30		FDEDRO
CCN(CC)Cc1nc(C2(NC(=O)C#CC3CC[NH2+]CC3)CCCC2)no1	ZINC000852863509	967668445	/nfs/dbraw/zinc/66/84/45/967668445.db2.gz	WCKYULYGJIKQCK-UHFFFAOYSA-N	1	0	373.501	1.800	20	30		FDEDRO
C[C@H](NC(=O)C#CC1CC[NH2+]CC1)C(=O)Nc1cccc(N2CCCC2)c1	ZINC000852864493	967669185	/nfs/dbraw/zinc/66/91/85/967669185.db2.gz	XQTHYQRCTAYNSX-INIZCTEOSA-N	1	0	368.481	1.733	20	30		FDEDRO
C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H](Cc3ccccc3)OC)[C@@H]2C1	ZINC001190241264	967689712	/nfs/dbraw/zinc/68/97/12/967689712.db2.gz	VEAXCTNCTCPNDE-IPMKNSEASA-N	1	0	371.481	1.079	20	30		FDEDRO
C=CC[C@]1(C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)CCC[NH2+]1	ZINC000852890083	967692293	/nfs/dbraw/zinc/69/22/93/967692293.db2.gz	MDXFOEFKLRBEBW-OAQYLSRUSA-N	1	0	370.497	1.670	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCC(C)C	ZINC001110425856	967737900	/nfs/dbraw/zinc/73/79/00/967737900.db2.gz	ZOXJBYBNLGAZCQ-HCXYKTFWSA-N	1	0	368.518	1.724	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc4[nH]c(=O)oc43)[C@@H]2C1	ZINC001190551745	967947697	/nfs/dbraw/zinc/94/76/97/967947697.db2.gz	ZQHHUCMDISNFHG-XJKSGUPXSA-N	1	0	357.410	1.882	20	30		FDEDRO
N#Cc1cccc(C(=O)n2cc(Br)ccc2=NCC[NH3+])c1F	ZINC001190554978	967948597	/nfs/dbraw/zinc/94/85/97/967948597.db2.gz	PFZKIAYDVMVRJW-UHFFFAOYSA-N	1	0	363.190	1.809	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)oc3nc[nH]c(=O)c31)C2	ZINC001110666814	968009747	/nfs/dbraw/zinc/00/97/47/968009747.db2.gz	WFDTYUUSEKCHBS-MCIONIFRSA-N	1	0	372.425	1.775	20	30		FDEDRO
C=CCC1(S(=O)(=O)N2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C)C2)CC1	ZINC001190787163	968091926	/nfs/dbraw/zinc/09/19/26/968091926.db2.gz	HNAPXRUSHFLJQP-PMPSAXMXSA-N	1	0	365.503	1.111	20	30		FDEDRO
C=C(C)C(=O)OCCNC(=O)c1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC001190858157	968135829	/nfs/dbraw/zinc/13/58/29/968135829.db2.gz	UUAMPLWXGHHQLI-UHFFFAOYSA-N	1	0	359.470	1.673	20	30		FDEDRO
N#CCSCC(=O)N[C@@H]1C[N@@H+](CCCOc2ccc(F)cc2)C[C@H]1O	ZINC001191156676	968304390	/nfs/dbraw/zinc/30/43/90/968304390.db2.gz	OSTHYSORGYSJSG-HZPDHXFCSA-N	1	0	367.446	1.013	20	30		FDEDRO
COc1cc(-c2nc(CC(=O)N3CCC([NH+](C)C)CC3)no2)ccc1C#N	ZINC000854053450	968560953	/nfs/dbraw/zinc/56/09/53/968560953.db2.gz	WWOQREXEOVCTLE-UHFFFAOYSA-N	1	0	369.425	1.712	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)ccn1	ZINC001191547879	968605310	/nfs/dbraw/zinc/60/53/10/968605310.db2.gz	DPJQQPIOEANWDW-OALUTQOASA-N	1	0	363.421	1.464	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)C[C@H]1O	ZINC001191724804	968715636	/nfs/dbraw/zinc/71/56/36/968715636.db2.gz	RIIBBXJHMCZLNW-BHIYHBOVSA-N	1	0	371.481	1.276	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](CC2CCC(F)(F)CC2)C[C@H]1O	ZINC001192054162	968931646	/nfs/dbraw/zinc/93/16/46/968931646.db2.gz	MFMLCRGVUXHLBF-HZPDHXFCSA-N	1	0	360.445	1.956	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1cncc2nc(C(F)(F)F)n(C)c21	ZINC000854664190	969066813	/nfs/dbraw/zinc/06/68/13/969066813.db2.gz	PLDPGOJBLNGNPB-UHFFFAOYSA-N	1	0	353.348	1.672	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OCC)C1	ZINC000776752954	969082500	/nfs/dbraw/zinc/08/25/00/969082500.db2.gz	PNISXPFBUSFZDA-IHRRRGAJSA-N	1	0	354.451	1.233	20	30		FDEDRO
Cc1ccc(N(C(=O)c2ccc(C#N)o2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1	ZINC001192675612	969226401	/nfs/dbraw/zinc/22/64/01/969226401.db2.gz	MMOGSYIVGIDPJO-KUHUBIRLSA-N	1	0	367.409	1.808	20	30		FDEDRO
COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2OC)C1	ZINC001192757461	969299757	/nfs/dbraw/zinc/29/97/57/969299757.db2.gz	BPFKGHNFSMDODP-NZSAHSFTSA-N	1	0	356.466	1.981	20	30		FDEDRO
C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CCN(S(=O)(=O)CC#N)CC2	ZINC001192950944	969371009	/nfs/dbraw/zinc/37/10/09/969371009.db2.gz	FPGZQMWGDDRDOB-CQSZACIVSA-N	1	0	369.512	1.657	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CC(=O)N3CCCC[C@@H]23)c(OC)c1	ZINC000644641326	1013876514	/nfs/dbraw/zinc/87/65/14/1013876514.db2.gz	QXNVOBFTHOZFTJ-SQNIBIBYSA-N	1	0	374.481	1.906	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(F)(F)F)CCOCC2)C1	ZINC001193102401	969469153	/nfs/dbraw/zinc/46/91/53/969469153.db2.gz	IVOJCXJXVYNLAP-CHWSQXEVSA-N	1	0	350.381	1.473	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1CN([C@@H](C)C(=O)N2CCCCC2)C[C@H]1O	ZINC001193240949	969569272	/nfs/dbraw/zinc/56/92/72/969569272.db2.gz	NIMXYEQNBVLRCB-CGTJXYLNSA-N	1	0	363.502	1.317	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1CN(CCOC[C@H]2CCCO2)C[C@H]1O	ZINC001193240959	969569415	/nfs/dbraw/zinc/56/94/15/969569415.db2.gz	NVUGLYYMVQOTTK-KZNAEPCWSA-N	1	0	352.475	1.112	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1O	ZINC001193312474	969617216	/nfs/dbraw/zinc/61/72/16/969617216.db2.gz	CHDPEYYLMHLZRG-RRFJBIMHSA-N	1	0	360.882	1.122	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCCc2cccc(F)c2)C1	ZINC001193568992	969740319	/nfs/dbraw/zinc/74/03/19/969740319.db2.gz	MQNKFGITVDEODP-ATZDWAIDSA-N	1	0	364.461	1.901	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3[nH]c(C)nc3c2)C1	ZINC001193629568	969776366	/nfs/dbraw/zinc/77/63/66/969776366.db2.gz	QOTLQEDMPOBCGT-IAGOWNOFSA-N	1	0	357.458	1.788	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3ccccc3)C[C@H]2O)CCOCC1	ZINC001193727165	969818386	/nfs/dbraw/zinc/81/83/86/969818386.db2.gz	IZBROLNVDZSCHT-QXAKKESOSA-N	1	0	356.466	1.729	20	30		FDEDRO
CCCCCCCCOCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1O	ZINC001193828637	969886672	/nfs/dbraw/zinc/88/66/72/969886672.db2.gz	SJVDBOVPSOEYRE-IPMKNSEASA-N	1	0	370.534	1.951	20	30		FDEDRO
CCCCCCCCOCC(=O)N[C@@H]1C[N@H+](C[C@@H](CC)OC)C[C@H]1O	ZINC001193829159	969887000	/nfs/dbraw/zinc/88/70/00/969887000.db2.gz	XSJLRSNZBXOLCS-KZNAEPCWSA-N	1	0	358.523	1.950	20	30		FDEDRO
COC(=O)c1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)[nH]n1	ZINC001194297595	970089107	/nfs/dbraw/zinc/08/91/07/970089107.db2.gz	FWVWSAMLWYLPRZ-UHFFFAOYSA-N	1	0	367.409	1.484	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCCOc2ccccc2)C1	ZINC001194352385	970120866	/nfs/dbraw/zinc/12/08/66/970120866.db2.gz	LVHCIBKNJSKNTM-BHIYHBOVSA-N	1	0	362.470	1.598	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(-c3ccccn3)n2)C1	ZINC001194409774	970162642	/nfs/dbraw/zinc/16/26/42/970162642.db2.gz	WDWROXXIPKCSGU-YSVLISHTSA-N	1	0	356.426	1.866	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N(CC)[C@H]2CC[N@H+](C)C2)ccc1F	ZINC000855360943	970314530	/nfs/dbraw/zinc/31/45/30/970314530.db2.gz	KJOFMGAKCPOCPZ-AWEZNQCLSA-N	1	0	369.462	1.456	20	30		FDEDRO
CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)C1	ZINC000776819775	970485339	/nfs/dbraw/zinc/48/53/39/970485339.db2.gz	CSVYZQOAEGGCFN-SUNYJGFJSA-N	1	0	350.463	1.641	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](CC2CC3(CCC3)C2)C[C@H]1O	ZINC001195020035	970647357	/nfs/dbraw/zinc/64/73/57/970647357.db2.gz	DOPWJBORYBRGSX-LMMKCTJWSA-N	1	0	350.503	1.957	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cccc(Cl)c2)C1	ZINC001195100888	970689256	/nfs/dbraw/zinc/68/92/56/970689256.db2.gz	UJGAAYAWZUNKFL-IAGOWNOFSA-N	1	0	352.862	1.637	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2-n2cccn2)C1	ZINC001195180886	970726506	/nfs/dbraw/zinc/72/65/06/970726506.db2.gz	DQJMIXGBFORLCD-QZTJIDSGSA-N	1	0	369.469	1.789	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCNC(=O)C(C)(C)C)C1	ZINC001195157654	970739599	/nfs/dbraw/zinc/73/95/99/970739599.db2.gz	IGMJJZCUXCUFCS-ARFHVFGLSA-N	1	0	353.507	1.445	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)CCOCCNC(=O)OC(C)(C)C)CC1	ZINC000863042850	972629020	/nfs/dbraw/zinc/62/90/20/972629020.db2.gz	PBOBURMZCYIVBJ-UHFFFAOYSA-N	1	0	367.490	1.331	20	30		FDEDRO
CC(C)(C)OC(=O)NC/C=C\C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1	ZINC000863553464	973009907	/nfs/dbraw/zinc/00/99/07/973009907.db2.gz	CAJFAVAGMSHCLE-XVWMLYKFSA-N	1	0	353.463	1.728	20	30		FDEDRO
COc1ccc(C2=NO[C@@H](C[NH2+]C[C@H](O)CC3(C#N)CCOCC3)C2)cc1	ZINC000863558061	973015591	/nfs/dbraw/zinc/01/55/91/973015591.db2.gz	VIHFJMQKJSPENE-SJLPKXTDSA-N	1	0	373.453	1.849	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]CCn2cc(Br)cn2)CCOCC1	ZINC000863558048	973015884	/nfs/dbraw/zinc/01/58/84/973015884.db2.gz	VFLSJXUNPRTLGO-ZDUSSCGKSA-N	1	0	357.252	1.307	20	30		FDEDRO
C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+]C[C@H](O)CC1(C#N)CCOCC1	ZINC000863564143	973018754	/nfs/dbraw/zinc/01/87/54/973018754.db2.gz	WECZEQWLXXVOMA-LSDHHAIUSA-N	1	0	355.479	1.903	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCOc2ccc(C)cc2)C1	ZINC001198373187	973025095	/nfs/dbraw/zinc/02/50/95/973025095.db2.gz	IXAVBKLJHRKUCY-RTBURBONSA-N	1	0	362.470	1.518	20	30		FDEDRO
CC(C)(C)OC(=O)NC1(C[NH2+]C[C@H](O)CC(C)(C)C#N)CCOCC1	ZINC000863572525	973025373	/nfs/dbraw/zinc/02/53/73/973025373.db2.gz	ALXSEIRBHLMWOU-CQSZACIVSA-N	1	0	355.479	1.951	20	30		FDEDRO
Cn1cnc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1=O	ZINC000888522922	973038774	/nfs/dbraw/zinc/03/87/74/973038774.db2.gz	UTDGIWADUSPXMN-UHFFFAOYSA-N	1	0	366.425	1.392	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cccc(F)c2)C1	ZINC001198359780	973057841	/nfs/dbraw/zinc/05/78/41/973057841.db2.gz	YJYMYDUYACSAAS-KBRIMQKVSA-N	1	0	363.433	1.072	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nc(C)[nH]c2=O)C1	ZINC001198614075	973319946	/nfs/dbraw/zinc/31/99/46/973319946.db2.gz	KIHVZLJQJKORQB-IAGOWNOFSA-N	1	0	362.474	1.249	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000645190071	1014101549	/nfs/dbraw/zinc/10/15/49/1014101549.db2.gz	KPLKAPMLPCONGH-IBGZPJMESA-N	1	0	372.513	1.662	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCOc2ccc(OC)cc2)C1	ZINC001198630918	973336069	/nfs/dbraw/zinc/33/60/69/973336069.db2.gz	RDBIRRCZVDRQJA-ATZDWAIDSA-N	1	0	362.470	1.980	20	30		FDEDRO
C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1C[C@@H](C)CC(=O)N1)c1ccccc1OC	ZINC001198732214	973433314	/nfs/dbraw/zinc/43/33/14/973433314.db2.gz	IPEQCBJOAZUVOY-DJIMGWMZSA-N	1	0	359.470	1.933	20	30		FDEDRO
CCC[C@@H]1CN(Cn2nc(CC#N)n(C)c2=S)CC[N@@H+]1CCOC	ZINC000794639239	973472345	/nfs/dbraw/zinc/47/23/45/973472345.db2.gz	JHOQVZQKDQPHKZ-CQSZACIVSA-N	1	0	352.508	1.407	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2OCCOC)C1	ZINC001198833350	973526546	/nfs/dbraw/zinc/52/65/46/973526546.db2.gz	CBBGVBUCDUPMKD-KBAYOESNSA-N	1	0	362.470	1.841	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1	ZINC001198799180	973542772	/nfs/dbraw/zinc/54/27/72/973542772.db2.gz	HXYMGPAOTQMXHZ-XOSAIJSUSA-N	1	0	366.408	1.432	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)c2ccc(OC)cc2)C1	ZINC001198880121	973648994	/nfs/dbraw/zinc/64/89/94/973648994.db2.gz	MEKQTMIHSWJIEF-QZTJIDSGSA-N	1	0	362.470	1.337	20	30		FDEDRO
CC(C)[C@@H](O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OCC#N)cc1	ZINC001110522025	973651126	/nfs/dbraw/zinc/65/11/26/973651126.db2.gz	KHSCZEKHWDYEGC-OQIJWPOYSA-N	1	0	357.454	1.827	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1	ZINC000120132761	973674494	/nfs/dbraw/zinc/67/44/94/973674494.db2.gz	ZLIYJODLXOMJPF-UHFFFAOYSA-N	1	0	373.388	1.173	20	30		FDEDRO
C=C[C@H](CC(=O)N[C@@H]1C[N@H+](CCOCCOC)C[C@H]1O)c1ccccc1	ZINC001198917221	973679816	/nfs/dbraw/zinc/67/98/16/973679816.db2.gz	IGEHCGPGRZIXFL-BHIYHBOVSA-N	1	0	362.470	1.171	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(NC(=O)NC)cc2)C1	ZINC001199253771	974081235	/nfs/dbraw/zinc/08/12/35/974081235.db2.gz	XLDHDDZUJGHHOW-IAOVAPTHSA-N	1	0	360.458	1.568	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCc3ccc(F)cc32)C[C@H]1O	ZINC001199292728	974134054	/nfs/dbraw/zinc/13/40/54/974134054.db2.gz	RPCRQEJCGHBEEK-GUDVDZBRSA-N	1	0	362.445	1.957	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CCCC)NC(N)=O)C1	ZINC001199344622	974170688	/nfs/dbraw/zinc/17/06/88/974170688.db2.gz	GFAMGOJTHOHAFJ-ARFHVFGLSA-N	1	0	354.495	1.121	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc2c(c1)nnn2C	ZINC001110532907	974275107	/nfs/dbraw/zinc/27/51/07/974275107.db2.gz	GINSCUGGUOYOOA-MDZRGWNJSA-N	1	0	351.454	1.849	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@H]2O)CCCC1	ZINC001199514624	974333456	/nfs/dbraw/zinc/33/34/56/974333456.db2.gz	HNHRYGUUAMGNJW-IAGOWNOFSA-N	1	0	359.470	1.183	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]Cc1ccc(S(=O)(=O)CCO)cc1	ZINC000865540817	974349372	/nfs/dbraw/zinc/34/93/72/974349372.db2.gz	AQMDZGKAWKCIES-UHFFFAOYSA-N	1	0	373.478	1.680	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]C[C@H]1CCCC[C@H]1NS(C)(=O)=O	ZINC000865565148	974363826	/nfs/dbraw/zinc/36/38/26/974363826.db2.gz	LMVSJRJYLXEADQ-NVXWUHKLSA-N	1	0	364.515	1.822	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2CN([C@H](C)C(=O)N(C)C(C)C)C[C@H]2O)CCCC1	ZINC001199566442	974371062	/nfs/dbraw/zinc/37/10/62/974371062.db2.gz	ANPLYFVWFMSRKE-BRWVUGGUSA-N	1	0	365.518	1.540	20	30		FDEDRO
C[C@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC[N@@H+]1C	ZINC000775997268	974393813	/nfs/dbraw/zinc/39/38/13/974393813.db2.gz	ABXZXPNSMQHYGW-HOTGVXAUSA-N	1	0	361.515	1.093	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccc(NC(=O)c3cnc(C#N)cn3)cc2)CC1	ZINC001199666024	974452095	/nfs/dbraw/zinc/45/20/95/974452095.db2.gz	ODLBDTRUWUYDPE-UHFFFAOYSA-N	1	0	350.426	1.738	20	30		FDEDRO
C[NH+](C)CCOCc1ncn2c1CN(C(=O)c1ccc(C#N)[nH]1)CCC2	ZINC001199679171	974459754	/nfs/dbraw/zinc/45/97/54/974459754.db2.gz	UFFAHZCTNFOLIC-UHFFFAOYSA-N	1	0	356.430	1.207	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)CC1	ZINC000776017040	974473133	/nfs/dbraw/zinc/47/31/33/974473133.db2.gz	YOAYLQVULUSFAU-OAQYLSRUSA-N	1	0	369.465	1.276	20	30		FDEDRO
N#Cc1cc(C(F)(F)F)cc(N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)n1	ZINC000865860905	974535979	/nfs/dbraw/zinc/53/59/79/974535979.db2.gz	LIQKXDKRNVKSSG-AWEZNQCLSA-N	1	0	367.375	1.763	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cccc2nsnc21	ZINC001110547288	974666147	/nfs/dbraw/zinc/66/61/47/974666147.db2.gz	HFFCXVPGXKKKCL-WNOSKKOXSA-N	1	0	370.478	1.951	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2CC(C)(C)C)CCCO1	ZINC001200546795	974815982	/nfs/dbraw/zinc/81/59/82/974815982.db2.gz	JPNHMICYKANANE-RCCFBDPRSA-N	1	0	350.503	1.916	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCCO[C@H]2C(C)C)CC1	ZINC001200637440	974853121	/nfs/dbraw/zinc/85/31/21/974853121.db2.gz	UNSUUCPBTDRWGY-NJAFHUGGSA-N	1	0	365.518	1.709	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)CCCO1	ZINC001200711797	974879212	/nfs/dbraw/zinc/87/92/12/974879212.db2.gz	COTYVOIGEDCBGZ-AQNXPRMDSA-N	1	0	356.466	1.995	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccnc2)CCCO1	ZINC001201454097	975068154	/nfs/dbraw/zinc/06/81/54/975068154.db2.gz	JEMAOZISOFHTFB-CEXWTWQISA-N	1	0	359.470	1.595	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC#CCOC)C1	ZINC001201613247	975098426	/nfs/dbraw/zinc/09/84/26/975098426.db2.gz	YUYIWPLXSVJBKJ-FHWLQOOXSA-N	1	0	364.486	1.215	20	30		FDEDRO
C=CCOCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCO[C@H]2C(=C)C)CCCO1	ZINC001201612728	975098584	/nfs/dbraw/zinc/09/85/84/975098584.db2.gz	QQXOOBRKJZUSDE-FHWLQOOXSA-N	1	0	366.502	1.767	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)[C@H]1CCCO1	ZINC000776227312	975190081	/nfs/dbraw/zinc/19/00/81/975190081.db2.gz	JJJJGSQTGXTTDV-QZTJIDSGSA-N	1	0	362.518	1.226	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NC(=O)COC)C2	ZINC001110586062	975359489	/nfs/dbraw/zinc/35/94/89/975359489.db2.gz	MKLWGZKYSCHZDQ-HZMVEIRTSA-N	1	0	353.507	1.829	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1	ZINC000847388598	975566050	/nfs/dbraw/zinc/56/60/50/975566050.db2.gz	FJJVFELMVUJMPA-MRXNPFEDSA-N	1	0	361.486	1.990	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)n1	ZINC000847445867	975634639	/nfs/dbraw/zinc/63/46/39/975634639.db2.gz	IENCZRWJCAOFGJ-MOPGFXCFSA-N	1	0	373.501	1.691	20	30		FDEDRO
CCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CC1	ZINC000847574213	975850811	/nfs/dbraw/zinc/85/08/11/975850811.db2.gz	BIUAQHOIJUSEGY-UHFFFAOYSA-N	1	0	358.442	1.860	20	30		FDEDRO
O=C(N[C@H]1CCCN(O)C1=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1	ZINC000848139580	976375047	/nfs/dbraw/zinc/37/50/47/976375047.db2.gz	ZCAFWWWMEDJNFQ-KRWDZBQOSA-N	1	0	361.442	1.001	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1C#N	ZINC000867581845	976421728	/nfs/dbraw/zinc/42/17/28/976421728.db2.gz	NYLGZCRYEKSSJB-UHFFFAOYSA-N	1	0	351.472	1.537	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2C[C@H]3[C@H](C(=O)OC)[C@H]3C2)c(OC)c1	ZINC000794972831	976423717	/nfs/dbraw/zinc/42/37/17/976423717.db2.gz	UQBXBGUTELWXFF-YIOZNXECSA-N	1	0	361.438	1.514	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1	ZINC000848335503	976641589	/nfs/dbraw/zinc/64/15/89/976641589.db2.gz	NXLUMOSGYWNJSI-ZDUSSCGKSA-N	1	0	359.392	1.249	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CC[NH2+]C2CC2)cc1	ZINC000848397575	976717621	/nfs/dbraw/zinc/71/76/21/976717621.db2.gz	GIQHBPBGEAUBSH-SILNSSARSA-N	1	0	364.471	1.580	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CC[NH2+]C2CC2)c1	ZINC000848398444	976718415	/nfs/dbraw/zinc/71/84/15/976718415.db2.gz	UMLHWWBCFROQPI-CAPFRKAQSA-N	1	0	364.471	1.580	20	30		FDEDRO
C[N@H+](C[C@H]1CCCOC1)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O	ZINC000107671547	976892070	/nfs/dbraw/zinc/89/20/70/976892070.db2.gz	WXFSWTACWJXDKE-QGZVFWFLSA-N	1	0	356.426	1.638	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC(NC(=O)C2CC2)CC1	ZINC000867946279	977126749	/nfs/dbraw/zinc/12/67/49/977126749.db2.gz	PHCDGXAQOZYCQJ-GOSISDBHSA-N	1	0	352.438	1.262	20	30		FDEDRO
N#Cc1ccc2c(c1)CCN[C@H]2C(=O)N1CC[NH+](C2CCOCC2)CC1	ZINC000867957942	977141650	/nfs/dbraw/zinc/14/16/50/977141650.db2.gz	DGEHPNHCIMDUOS-LJQANCHMSA-N	1	0	354.454	1.068	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@@H]1CCN(c2ncccc2F)C1	ZINC000867959167	977143173	/nfs/dbraw/zinc/14/31/73/977143173.db2.gz	QSFALTLWHZZDCX-QAPCUYQASA-N	1	0	365.412	1.674	20	30		FDEDRO
COC(=O)c1cccc(CCNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)c1	ZINC000867977007	977160184	/nfs/dbraw/zinc/16/01/84/977160184.db2.gz	YWDSRPXNJCCJNZ-IBGZPJMESA-N	1	0	363.417	1.891	20	30		FDEDRO
C=C(CO)C(=O)NC1CCC([NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000794986730	977219227	/nfs/dbraw/zinc/21/92/27/977219227.db2.gz	ODCYYFISKGSEDJ-UHFFFAOYSA-N	1	0	367.490	1.515	20	30		FDEDRO
C[NH+]=C(NCCCCOc1ccc(Cl)cc1)NCCN1CCOCC1	ZINC000849055234	977296062	/nfs/dbraw/zinc/29/60/62/977296062.db2.gz	XCAUTGPTNCFHSS-UHFFFAOYSA-N	1	0	368.909	1.996	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1	ZINC000849078888	977306278	/nfs/dbraw/zinc/30/62/78/977306278.db2.gz	JKDFDTFMYDSZDN-UHFFFAOYSA-N	1	0	364.515	1.366	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1CCCN(c2ccccc2)C1	ZINC000849104431	977316994	/nfs/dbraw/zinc/31/69/94/977316994.db2.gz	NCCSOIBINNRKLS-SFHVURJKSA-N	1	0	359.518	1.400	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCc3c(CC(N)=O)cccc3C2)CC1	ZINC000868221211	977359800	/nfs/dbraw/zinc/35/98/00/977359800.db2.gz	CTLMEPNJLYURCX-UHFFFAOYSA-N	1	0	370.497	1.823	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@]23OCCC[C@H]2C3(F)F)cc1	ZINC000849330126	977430663	/nfs/dbraw/zinc/43/06/63/977430663.db2.gz	JYMWVJNUWHOBSN-CABCVRRESA-N	1	0	356.394	1.736	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)c1	ZINC000108609639	977607316	/nfs/dbraw/zinc/60/73/16/977607316.db2.gz	ABSGHUWTFXUNGM-UHFFFAOYSA-N	1	0	355.438	1.724	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)CC1	ZINC000849514820	977708665	/nfs/dbraw/zinc/70/86/65/977708665.db2.gz	AUIHICDCHIPNGZ-QRVBRYPASA-N	1	0	372.517	1.148	20	30		FDEDRO
Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2n[nH]c(C3CC3)c2C#N)cn1	ZINC000849612374	977848965	/nfs/dbraw/zinc/84/89/65/977848965.db2.gz	HTDFRTGVJGLVEY-ZFWWWQNUSA-N	1	0	353.430	1.566	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1	ZINC000850505719	978405763	/nfs/dbraw/zinc/40/57/63/978405763.db2.gz	WDJJWPDYWJNBKQ-OAHLLOKOSA-N	1	0	357.454	1.874	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1	ZINC000850829450	978687894	/nfs/dbraw/zinc/68/78/94/978687894.db2.gz	KQVKNYKCJFBZFZ-KRWDZBQOSA-N	1	0	369.465	1.875	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)c1	ZINC000850829227	978687985	/nfs/dbraw/zinc/68/79/85/978687985.db2.gz	GLAQGOWFTHJMAS-QGZVFWFLSA-N	1	0	369.465	1.875	20	30		FDEDRO
C=CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC001202480620	978698705	/nfs/dbraw/zinc/69/87/05/978698705.db2.gz	YIQCEQKHZWYMAW-ZWKOTPCHSA-N	1	0	365.518	1.949	20	30		FDEDRO
C=C(Cl)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCN1C(=O)CCC1=O)C2	ZINC001110627512	978752050	/nfs/dbraw/zinc/75/20/50/978752050.db2.gz	CRUNNYALQNNKPR-MCIONIFRSA-N	1	0	353.850	1.390	20	30		FDEDRO
C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1	ZINC000776522198	978872244	/nfs/dbraw/zinc/87/22/44/978872244.db2.gz	XTUMUYBLDRERIL-RRFJBIMHSA-N	1	0	365.478	1.339	20	30		FDEDRO
C#CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CCN(c2ncccn2)CC1	ZINC001110631029	978901481	/nfs/dbraw/zinc/90/14/81/978901481.db2.gz	FYEIUPTVZDGHCL-ZWKOTPCHSA-N	1	0	355.486	1.638	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)N[C@H]2C[NH2+]CC[C@H]2c2cccc(F)c2)CCN1C1CC1	ZINC000851673118	978992474	/nfs/dbraw/zinc/99/24/74/978992474.db2.gz	PTXAYARITGBSKT-QYZOEREBSA-N	1	0	371.460	1.653	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)c1	ZINC000851684825	978997022	/nfs/dbraw/zinc/99/70/22/978997022.db2.gz	IOMHUSPLOJRWKZ-LJQANCHMSA-N	1	0	353.466	1.522	20	30		FDEDRO
C#CCOCC[NH+]1CCN(CCCc2nc(-c3cccs3)no2)CC1	ZINC000851711366	979010024	/nfs/dbraw/zinc/01/00/24/979010024.db2.gz	YLNNVXWDEQJMQA-UHFFFAOYSA-N	1	0	360.483	1.998	20	30		FDEDRO
N#Cc1ccc(CN2CC[NH+](C[C@@](O)(C(N)=O)c3ccccc3)CC2)cc1	ZINC000851724342	979016388	/nfs/dbraw/zinc/01/63/88/979016388.db2.gz	YMSYPWAGBVDLAN-NRFANRHFSA-N	1	0	364.449	1.049	20	30		FDEDRO
N#Cc1ccc(OC2CC[NH+](C[C@](O)(C(N)=O)c3ccccc3)CC2)cc1	ZINC000851751152	979028924	/nfs/dbraw/zinc/02/89/24/979028924.db2.gz	KCRLKPSBDOUCBF-OAQYLSRUSA-N	1	0	365.433	1.775	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(CC(=O)NCCC#N)C2(CCC2)CC1	ZINC000880347798	979123086	/nfs/dbraw/zinc/12/30/86/979123086.db2.gz	HVKDIMOJWRGWOP-UHFFFAOYSA-N	1	0	350.463	1.882	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC(N(CC)C(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000968009140	1014557515	/nfs/dbraw/zinc/55/75/15/1014557515.db2.gz	RNMFQURZFVYKJA-RBUKOAKNSA-N	1	0	357.498	1.437	20	30		FDEDRO
C#CCC1(O)CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)CC1	ZINC000880479843	979220779	/nfs/dbraw/zinc/22/07/79/979220779.db2.gz	ZSVNSIKFCNJLAR-JKSUJKDBSA-N	1	0	372.465	1.874	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)cc1	ZINC000851974145	979234575	/nfs/dbraw/zinc/23/45/75/979234575.db2.gz	SUNPZSFNYXELBD-PKOBYXMFSA-N	1	0	370.453	1.661	20	30		FDEDRO
C#C[C@](C)(CC)[NH2+][C@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F	ZINC000852098104	979350113	/nfs/dbraw/zinc/35/01/13/979350113.db2.gz	FSCMXQZQFRNGNJ-BMLIUANNSA-N	1	0	355.360	1.939	20	30		FDEDRO
C#C[C@@](C)(CC)[NH2+][C@@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1	ZINC000852101296	979351128	/nfs/dbraw/zinc/35/11/28/979351128.db2.gz	OYDPCHJGBXLZBZ-UWJYYQICSA-N	1	0	357.498	1.915	20	30		FDEDRO
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCN([C@H]3CCOC3)CC2)c1	ZINC000852107843	979355051	/nfs/dbraw/zinc/35/50/51/979355051.db2.gz	XWDSFZAPLOCDGQ-ZWKOTPCHSA-N	1	0	372.469	1.984	20	30		FDEDRO
CN1c2ccccc2C(C)(C)/C1=C\C(=O)Cn1cc(CC[C@@H](O)C[NH3+])nn1	ZINC000880983275	979561993	/nfs/dbraw/zinc/56/19/93/979561993.db2.gz	LZHNSELXBCDAMN-GDXCHIGESA-N	1	0	369.469	1.411	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1)OCC	ZINC000881623589	980020220	/nfs/dbraw/zinc/02/02/20/980020220.db2.gz	LJVVQCZVMGSKJP-INIZCTEOSA-N	1	0	351.491	1.690	20	30		FDEDRO
Cc1nc(C#N)cc(NCCCC[NH+]2CCN(c3ncccn3)CC2)n1	ZINC000881919472	980292180	/nfs/dbraw/zinc/29/21/80/980292180.db2.gz	NPFGOEBZEQHZKM-UHFFFAOYSA-N	1	0	352.446	1.461	20	30		FDEDRO
C=CCOC[C@@H]([NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)C(=O)[O-]	ZINC000901810911	980531737	/nfs/dbraw/zinc/53/17/37/980531737.db2.gz	PBIDYADGKIUVEE-MRXNPFEDSA-N	1	0	367.877	1.837	20	30		FDEDRO
N#C[C@@]1(C(=O)NCCC2(O)CC[NH+](Cc3ccccc3)CC2)CCCOC1	ZINC000882384733	980606303	/nfs/dbraw/zinc/60/63/03/980606303.db2.gz	SRTMFSJJQVMKGH-FQEVSTJZSA-N	1	0	371.481	1.840	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(CC)C(=O)[C@H]2CCCC[N@@H+]2C)C1	ZINC000968116889	1014675662	/nfs/dbraw/zinc/67/56/62/1014675662.db2.gz	XUQAHWDEJFKOKL-KSZLIROESA-N	1	0	363.502	1.511	20	30		FDEDRO
CCC1([NH+]2CCCCC2)CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1	ZINC000882618311	980759252	/nfs/dbraw/zinc/75/92/52/980759252.db2.gz	OQRRHVLAHXLUPA-INIZCTEOSA-N	1	0	370.519	1.186	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2)CCN1c1cc[nH+]cc1	ZINC000882620964	980760985	/nfs/dbraw/zinc/76/09/85/980760985.db2.gz	DXJKHLJQSWLHTP-HNNXBMFYSA-N	1	0	356.451	1.994	20	30		FDEDRO
C=C(C)C[C@@H](CO)NC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1	ZINC000883105148	981949005	/nfs/dbraw/zinc/94/90/05/981949005.db2.gz	ZIJOQONSJHZDAY-IBGZPJMESA-N	1	0	360.502	1.560	20	30		FDEDRO
C=C(C)C[C@@H](CO)NC(=O)NCc1ccccc1CN1CC[NH+](CC)CC1	ZINC000883112095	981955007	/nfs/dbraw/zinc/95/50/07/981955007.db2.gz	ZTDKQIPLYQGYTJ-FQEVSTJZSA-N	1	0	374.529	1.950	20	30		FDEDRO
C=CCC[C@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)[C@@H]1CCCO1	ZINC000883203350	982012363	/nfs/dbraw/zinc/01/23/63/982012363.db2.gz	ZKKVIYYFEANTGH-IKGGRYGDSA-N	1	0	360.520	1.578	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2OCC[C@H]2C)CC1	ZINC001202553445	982071877	/nfs/dbraw/zinc/07/18/77/982071877.db2.gz	YVORUAGMKFLJNK-RYRKJORJSA-N	1	0	365.518	1.805	20	30		FDEDRO
C=CCC[C@H]([NH2+]Cc1nnc2c(=O)n(C)ccn12)[C@H]1Cc2ccccc2O1	ZINC000883337741	982084059	/nfs/dbraw/zinc/08/40/59/982084059.db2.gz	LSXRRVRCHUVASE-DOTOQJQBSA-N	1	0	365.437	1.856	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCC2(S(=O)(=O)NC(C)(C)C)CC2)CC1	ZINC000883343654	982086728	/nfs/dbraw/zinc/08/67/28/982086728.db2.gz	UQWOBZDNOOOCSF-UHFFFAOYSA-N	1	0	372.535	1.187	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2	ZINC001110748943	982102195	/nfs/dbraw/zinc/10/21/95/982102195.db2.gz	YTHHXFMRMRPSMO-LZQZEXGQSA-N	1	0	352.438	1.628	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)NCC1CC[NH+](C2CCOCC2)CC1	ZINC000858601523	982142854	/nfs/dbraw/zinc/14/28/54/982142854.db2.gz	VZJIZQBXWBJHMO-QGZVFWFLSA-N	1	0	351.491	1.605	20	30		FDEDRO
C=C(C)C[C@H](CO)NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1	ZINC000883496033	982217672	/nfs/dbraw/zinc/21/76/72/982217672.db2.gz	MPIKMKOBXBVPLZ-GOSISDBHSA-N	1	0	361.486	1.770	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1	ZINC000883603102	982299855	/nfs/dbraw/zinc/29/98/55/982299855.db2.gz	KPKMSLXHZIZZHN-IBGZPJMESA-N	1	0	371.481	1.313	20	30		FDEDRO
C#C[C@H](NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)C(C)(C)C	ZINC000883648635	982344915	/nfs/dbraw/zinc/34/49/15/982344915.db2.gz	ALZZCMNEPAUUTD-IRXDYDNUSA-N	1	0	350.507	1.130	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)N[C@H](C)CCC)CC1	ZINC001202559970	982560416	/nfs/dbraw/zinc/56/04/16/982560416.db2.gz	VZNSDKLATZCANO-OIISXLGYSA-N	1	0	351.491	1.463	20	30		FDEDRO
C[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000859153540	982579648	/nfs/dbraw/zinc/57/96/48/982579648.db2.gz	SZMFWLOOQCGTEI-HOTGVXAUSA-N	1	0	367.490	1.999	20	30		FDEDRO
C=CCNC(=O)N1CCC([N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1	ZINC001202570075	982603982	/nfs/dbraw/zinc/60/39/82/982603982.db2.gz	WZHLELOOASFTCW-CQSZACIVSA-N	1	0	352.479	1.945	20	30		FDEDRO
COC(=O)N1CCC[C@H]([C@H](C)[NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000859257828	982652379	/nfs/dbraw/zinc/65/23/79/982652379.db2.gz	FXEUQFUEQDPVKY-HRCADAONSA-N	1	0	353.463	1.514	20	30		FDEDRO
CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000859263140	982658174	/nfs/dbraw/zinc/65/81/74/982658174.db2.gz	WWWQOLQRLFPPJX-YESZJQIVSA-N	1	0	367.490	1.904	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1	ZINC000800007762	982706116	/nfs/dbraw/zinc/70/61/16/982706116.db2.gz	OFBQFSSHCRLGRA-QGZVFWFLSA-N	1	0	374.551	1.439	20	30		FDEDRO
CC[NH+](CC)CCCOC(=O)CNS(=O)(=O)c1cccc(C#N)c1	ZINC000800079964	982729960	/nfs/dbraw/zinc/72/99/60/982729960.db2.gz	MGEIDXIMOQDCQP-UHFFFAOYSA-N	1	0	353.444	1.112	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)C2	ZINC000884055031	982776008	/nfs/dbraw/zinc/77/60/08/982776008.db2.gz	ZJCCJUJGICGAQX-RIHZTJQASA-N	1	0	366.343	1.298	20	30		FDEDRO
Cc1ccc(C(=O)NCCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc1F	ZINC000884067851	982815210	/nfs/dbraw/zinc/81/52/10/982815210.db2.gz	UDQLHPSVZLLHAJ-HVEKOLDVSA-N	1	0	358.417	1.120	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)C1	ZINC000884135674	982918798	/nfs/dbraw/zinc/91/87/98/982918798.db2.gz	QORDRLNJBGUNPZ-MRXNPFEDSA-N	1	0	350.507	1.273	20	30		FDEDRO
Cc1ccc(N2CC[C@H](NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)C2=O)cc1	ZINC000884153140	982932110	/nfs/dbraw/zinc/93/21/10/982932110.db2.gz	DNBWKTSUTBSQGR-GLEGPSONSA-N	1	0	352.438	1.356	20	30		FDEDRO
Cc1ccc(N2CC[C@H](NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)C2=O)cc1	ZINC000884153142	982932167	/nfs/dbraw/zinc/93/21/67/982932167.db2.gz	DNBWKTSUTBSQGR-RHELOZEPSA-N	1	0	352.438	1.356	20	30		FDEDRO
Cn1ccnc1[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccccc1F	ZINC000884181267	982956680	/nfs/dbraw/zinc/95/66/80/982956680.db2.gz	AGKSXAQQNBLZJE-PYAWSDGHSA-N	1	0	367.428	1.904	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1	ZINC000859661257	982963681	/nfs/dbraw/zinc/96/36/81/982963681.db2.gz	UUTRSUMMZHHXMT-CVEARBPZSA-N	1	0	373.388	1.486	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCN(CCc3cccs3)CC1)C2	ZINC000884192157	982968176	/nfs/dbraw/zinc/96/81/76/982968176.db2.gz	XJHSBFJSPNHCCI-KOHRHEQBSA-N	1	0	358.511	1.574	20	30		FDEDRO
N#Cc1ccc(NC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1F	ZINC000859688571	982975295	/nfs/dbraw/zinc/97/52/95/982975295.db2.gz	IRXONXRYHAAPEF-CVEARBPZSA-N	1	0	373.388	1.486	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1cccc(CN3CCOCC3)c1)C2	ZINC000884199804	982975659	/nfs/dbraw/zinc/97/56/59/982975659.db2.gz	KJISWCWCAICSKB-OHTSDLOESA-N	1	0	354.454	1.597	20	30		FDEDRO
C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C[C@H](C)O1	ZINC000884201665	982976988	/nfs/dbraw/zinc/97/69/88/982976988.db2.gz	DSGVGMMOWXRZCQ-LYJLFMANSA-N	1	0	360.502	1.226	20	30		FDEDRO
CC[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1nnc2n1CCCCC2	ZINC000884208461	982984697	/nfs/dbraw/zinc/98/46/97/982984697.db2.gz	APECJKAMLLOTHO-YYHKSVKZSA-N	1	0	356.474	1.711	20	30		FDEDRO
C=CC[C@@H]1[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CCCC1(C)C	ZINC000332302274	983031250	/nfs/dbraw/zinc/03/12/50/983031250.db2.gz	VRDMWNIBMRIEGA-AWEZNQCLSA-N	1	0	359.474	1.500	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1	ZINC000884268802	983041215	/nfs/dbraw/zinc/04/12/15/983041215.db2.gz	USSUXCCDIVNHRC-FHWLQOOXSA-N	1	0	373.497	1.632	20	30		FDEDRO
CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000134178332	983065537	/nfs/dbraw/zinc/06/55/37/983065537.db2.gz	JZLLGYBEFUVVPN-ZDUSSCGKSA-N	1	0	362.405	1.467	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(N3CCOC3=O)cc1)C2	ZINC000884326872	983087781	/nfs/dbraw/zinc/08/77/81/983087781.db2.gz	DDCZPJAPTCFROM-HVEKOLDVSA-N	1	0	354.410	1.399	20	30		FDEDRO
COc1ccccc1OC[C@H](C)CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884378555	983126537	/nfs/dbraw/zinc/12/65/37/983126537.db2.gz	WLMGYYYWFMCCPF-OXJONJSCSA-N	1	0	357.454	1.966	20	30		FDEDRO
COc1ccc(N(C)CCN(C)C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc1	ZINC000884386494	983132121	/nfs/dbraw/zinc/13/21/21/983132121.db2.gz	QONBYLNDPLODFL-NGEICVOHSA-N	1	0	356.470	1.729	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCN(c3ccc(F)cc3)C1=O)C2	ZINC000884435982	983153900	/nfs/dbraw/zinc/15/39/00/983153900.db2.gz	PQOHLBGPMQEWTH-VSELKDKVSA-N	1	0	356.401	1.187	20	30		FDEDRO
CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)C1	ZINC000884585560	983261785	/nfs/dbraw/zinc/26/17/85/983261785.db2.gz	NWKJGNPFARJQCY-IBGZPJMESA-N	1	0	360.433	1.537	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1	ZINC000968402100	1014937801	/nfs/dbraw/zinc/93/78/01/1014937801.db2.gz	UMJNKHYNFYVQHX-GJYPPUQNSA-N	1	0	363.502	1.153	20	30		FDEDRO
N#CCCNC(=O)COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2	ZINC000860425665	983390680	/nfs/dbraw/zinc/39/06/80/983390680.db2.gz	NNKUSDFULGFNQQ-QGZVFWFLSA-N	1	0	355.438	1.862	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCN1C(=O)CCC1=O)C2	ZINC001110784992	983398504	/nfs/dbraw/zinc/39/85/04/983398504.db2.gz	XOKAIRVYWKWTQG-ZACQAIPSSA-N	1	0	361.486	1.993	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N(CC)C2CC[NH+](C)CC2)cc1	ZINC000861893071	983978352	/nfs/dbraw/zinc/97/83/52/983978352.db2.gz	COSLCAHCZPRPLF-UHFFFAOYSA-N	1	0	363.483	1.154	20	30		FDEDRO
C=CCNc1ncc(C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)s1	ZINC000653348393	1015042807	/nfs/dbraw/zinc/04/28/07/1015042807.db2.gz	FZIWXLLZKRCDAG-MJBXVCDLSA-N	1	0	350.488	1.521	20	30		FDEDRO
CN1CC[NH+](C2CCN(C(=O)NCc3ccc(CC#N)cc3)CC2)CC1	ZINC000868732078	984573685	/nfs/dbraw/zinc/57/36/85/984573685.db2.gz	MXUKSIDKPAEFOB-UHFFFAOYSA-N	1	0	355.486	1.674	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCOc3c(cccc3C(=O)OC)C2)CC1	ZINC000884753077	984753524	/nfs/dbraw/zinc/75/35/24/984753524.db2.gz	DMXUYRMCJVBXCO-UHFFFAOYSA-N	1	0	356.422	1.539	20	30		FDEDRO
C=CCCC[C@@H](NC(=O)C(=O)NCC1([NH3+])CCOCC1)c1ccccc1	ZINC000884808369	984816797	/nfs/dbraw/zinc/81/67/97/984816797.db2.gz	TTXFXWODNRQTSM-QGZVFWFLSA-N	1	0	359.470	1.824	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1	ZINC000884879214	984924713	/nfs/dbraw/zinc/92/47/13/984924713.db2.gz	VXZMTZDXJYLMGO-SFHVURJKSA-N	1	0	368.481	1.967	20	30		FDEDRO
CN1CC[NH+](C2CCN(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CC2)CC1	ZINC000869193283	984936758	/nfs/dbraw/zinc/93/67/58/984936758.db2.gz	OBCZDGCYZBHVDL-LJQANCHMSA-N	1	0	367.497	1.447	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000885007816	985063790	/nfs/dbraw/zinc/06/37/90/985063790.db2.gz	KWCGNYPBOGDOLP-REPLKXPHSA-N	1	0	368.481	1.944	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1	ZINC000885097016	985172712	/nfs/dbraw/zinc/17/27/12/985172712.db2.gz	RCYSOKVJMMUJLU-IAGOWNOFSA-N	1	0	365.518	1.840	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)CC1	ZINC000869572703	985202775	/nfs/dbraw/zinc/20/27/75/985202775.db2.gz	XSTUQPZBRKGQJW-MRXNPFEDSA-N	1	0	367.490	1.018	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F	ZINC000885283980	985286576	/nfs/dbraw/zinc/28/65/76/985286576.db2.gz	BSWPCFLJVCSGBQ-CYBMUJFWSA-N	1	0	355.385	1.198	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000869762596	985309969	/nfs/dbraw/zinc/30/99/69/985309969.db2.gz	QMFXZMZRYSKWSY-UHFFFAOYSA-N	1	0	372.469	1.105	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)C(=O)Cc1ccc(OCC#N)cc1	ZINC000869765518	985312025	/nfs/dbraw/zinc/31/20/25/985312025.db2.gz	LNODYIDSLAQIPJ-UHFFFAOYSA-N	1	0	359.470	1.948	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC([C@@H](C)CO)CC2)CC1	ZINC000653393051	1015119284	/nfs/dbraw/zinc/11/92/84/1015119284.db2.gz	RBOQFOOWLDJPOL-HNNXBMFYSA-N	1	0	351.491	1.010	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]2C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)cc1	ZINC000885870080	985732592	/nfs/dbraw/zinc/73/25/92/985732592.db2.gz	YJPPZJAFCUZZAL-PMACEKPBSA-N	1	0	368.481	1.897	20	30		FDEDRO
C=CCc1cc(C[NH2+]CCc2nnc3c(=O)n(C)ccn23)cc(OC)c1O	ZINC000886284462	986022676	/nfs/dbraw/zinc/02/26/76/986022676.db2.gz	XVAPKMFJURVVKS-UHFFFAOYSA-N	1	0	369.425	1.203	20	30		FDEDRO
CC[C@H](C[NH+](C)C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000870550776	986115256	/nfs/dbraw/zinc/11/52/56/986115256.db2.gz	TVQLNQFVTKVNKK-GXTWGEPZSA-N	1	0	353.444	1.108	20	30		FDEDRO
C#CCC1([NH2+]Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)CCOCC1	ZINC000886381442	986125656	/nfs/dbraw/zinc/12/56/56/986125656.db2.gz	COZZRRKYATUTAJ-UHFFFAOYSA-N	1	0	366.845	1.875	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CCCN(CC(F)(F)F)C1=O)C1CC[NH+](C)CC1	ZINC000886571218	986370189	/nfs/dbraw/zinc/37/01/89/986370189.db2.gz	NDYSDEXGOTXLOJ-CQSZACIVSA-N	1	0	359.392	1.343	20	30		FDEDRO
C#CCN(C(=O)c1cc(Br)c[nH]c1=O)C1CC[NH+](C)CC1	ZINC000886573586	986372775	/nfs/dbraw/zinc/37/27/75/986372775.db2.gz	OCJOLHWNCFWUNQ-UHFFFAOYSA-N	1	0	352.232	1.719	20	30		FDEDRO
C#CCN(C(=O)Cn1cc(C=O)c(-c2ccccc2)n1)C1CC[NH+](C)CC1	ZINC000886572450	986373016	/nfs/dbraw/zinc/37/30/16/986373016.db2.gz	MOZUQMSYGNJGBZ-UHFFFAOYSA-N	1	0	364.449	1.919	20	30		FDEDRO
C#CCN(C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2s1)C1CC[NH+](C)CC1	ZINC000886578810	986380258	/nfs/dbraw/zinc/38/02/58/986380258.db2.gz	MKXRAJHGKOWIDW-IAGOWNOFSA-N	1	0	373.478	1.247	20	30		FDEDRO
C#CCN(C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)C1CC[NH+](C)CC1	ZINC000886589348	986397079	/nfs/dbraw/zinc/39/70/79/986397079.db2.gz	RQBNNJPSEJITFF-SFHVURJKSA-N	1	0	353.466	1.591	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)C1CC[NH+](C)CC1	ZINC000886589347	986397643	/nfs/dbraw/zinc/39/76/43/986397643.db2.gz	RQBNNJPSEJITFF-GOSISDBHSA-N	1	0	353.466	1.591	20	30		FDEDRO
N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cnn(-c2cccc(F)c2)c1C(F)(F)F	ZINC000870940318	986526475	/nfs/dbraw/zinc/52/64/75/986526475.db2.gz	IJPATXPGFLNRLZ-NOZJJQNGSA-N	1	0	367.306	1.872	20	30		FDEDRO
C=CCC1(O)CC[NH+](CC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)CC1	ZINC000886762011	986563913	/nfs/dbraw/zinc/56/39/13/986563913.db2.gz	PCTFHKZBKRSNNI-UHFFFAOYSA-N	1	0	365.518	1.495	20	30		FDEDRO
C=CCC1(O)CC[NH+]([C@@H](C)C(=O)N2CCN(c3ccccc3O)CC2)CC1	ZINC000886771353	986575479	/nfs/dbraw/zinc/57/54/79/986575479.db2.gz	GRDJUWKWSYCJIP-KRWDZBQOSA-N	1	0	373.497	1.832	20	30		FDEDRO
C=CCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1	ZINC000871053818	986621130	/nfs/dbraw/zinc/62/11/30/986621130.db2.gz	JHXVCQDWPXTORO-ZBFHGGJFSA-N	1	0	360.506	1.913	20	30		FDEDRO
C=CCn1c(-c2cccn2C)nnc1N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000871062477	986633231	/nfs/dbraw/zinc/63/32/31/986633231.db2.gz	YQJSJGDBMXIHQJ-UHFFFAOYSA-N	1	0	369.517	1.686	20	30		FDEDRO
CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cccc(Br)c1C#N	ZINC000886891807	986694971	/nfs/dbraw/zinc/69/49/71/986694971.db2.gz	HMGDKBUONRGLGO-JTQLQIEISA-N	1	0	358.261	1.693	20	30		FDEDRO
C#C[C@@H](C)N(C)c1nnc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1Cc1cc(C)on1	ZINC000871334656	986905213	/nfs/dbraw/zinc/90/52/13/986905213.db2.gz	VAZBZSMGEMNSQX-XYPHTWIQSA-N	1	0	370.457	1.616	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1Cl	ZINC000871811597	987260406	/nfs/dbraw/zinc/26/04/06/987260406.db2.gz	ZGTQFIVYWIBXMB-ZDUSSCGKSA-N	1	0	369.874	1.649	20	30		FDEDRO
C#CCC[NH+]1CCC(NS(=O)(=O)c2c(C(F)(F)F)cnn2C)CC1	ZINC000872006555	987438044	/nfs/dbraw/zinc/43/80/44/987438044.db2.gz	JPEWHKQIMKSJJB-UHFFFAOYSA-N	1	0	364.393	1.205	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1	ZINC000872192614	987498630	/nfs/dbraw/zinc/49/86/30/987498630.db2.gz	YBOBLABGMNBXKB-OCCSQVGLSA-N	1	0	373.375	1.432	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C	ZINC000872223208	987525000	/nfs/dbraw/zinc/52/50/00/987525000.db2.gz	OCXHDGITTSZTBV-JKSUJKDBSA-N	1	0	368.522	1.818	20	30		FDEDRO
COC[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)c1cccc(Br)c1	ZINC000872235921	987534783	/nfs/dbraw/zinc/53/47/83/987534783.db2.gz	DFSXXYDHCLJFMV-CVEARBPZSA-N	1	0	370.291	1.933	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@]12CCC[C@H]1OCC2	ZINC000872315442	987595503	/nfs/dbraw/zinc/59/55/03/987595503.db2.gz	UWYMGBXGXPBXOO-APWZRJJASA-N	1	0	351.410	1.984	20	30		FDEDRO
Cn1nc(Br)c2c1ncnc2N=NCC1CC[NH+](C)CC1	ZINC000872348557	987613910	/nfs/dbraw/zinc/61/39/10/987613910.db2.gz	JNBABNODUWVKSQ-UHFFFAOYSA-N	1	0	352.240	1.865	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c(C#N)c1	ZINC000872454108	987675449	/nfs/dbraw/zinc/67/54/49/987675449.db2.gz	SIFCXRLCQDTLFJ-INIZCTEOSA-N	1	0	351.472	1.382	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)NCCCC[N@@H+]1CCC[C@H]1CO	ZINC000872454739	987676729	/nfs/dbraw/zinc/67/67/29/987676729.db2.gz	YPPKOIOHVGFQOE-INIZCTEOSA-N	1	0	351.472	1.382	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)N(C)CCC[N@@H+](C)CCN(C)C	ZINC000872487839	987712336	/nfs/dbraw/zinc/71/23/36/987712336.db2.gz	IFLCBNYKMIZQOE-UHFFFAOYSA-N	1	0	352.504	1.371	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)[NH+]1CCCCCC1	ZINC000292913586	987930869	/nfs/dbraw/zinc/93/08/69/987930869.db2.gz	AZPOSAKQPBAADV-MRXNPFEDSA-N	1	0	357.458	1.909	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)C[C@H](O)Cc2ccccc2)CC1	ZINC000293161802	987980209	/nfs/dbraw/zinc/98/02/09/987980209.db2.gz	CJFPLZVYYZJQLC-UXHICEINSA-N	1	0	372.513	1.214	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2nc(OC)ccc2c1	ZINC000293223216	987995345	/nfs/dbraw/zinc/99/53/45/987995345.db2.gz	BUQWLSATMVWXSF-UHFFFAOYSA-N	1	0	354.410	1.253	20	30		FDEDRO
CC#CCN(C)C(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1	ZINC000293251618	988005647	/nfs/dbraw/zinc/00/56/47/988005647.db2.gz	BBOLWSLKWYDOOU-UHFFFAOYSA-N	1	0	368.481	1.639	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(C2CCCCC2)nn1C	ZINC000293360335	988049592	/nfs/dbraw/zinc/04/95/92/988049592.db2.gz	LMMRXHNVLJFIQF-UHFFFAOYSA-N	1	0	359.474	1.478	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000293497122	988091880	/nfs/dbraw/zinc/09/18/80/988091880.db2.gz	WWVOGCMAJFJATM-UHFFFAOYSA-N	1	0	366.343	1.587	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NC3CC[NH+](CC4CC4)CC3)CC2)cn1	ZINC000872832096	988144930	/nfs/dbraw/zinc/14/49/30/988144930.db2.gz	UCWNHGLAAHNMDN-UHFFFAOYSA-N	1	0	368.485	1.659	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)CC1	ZINC000299132491	988154560	/nfs/dbraw/zinc/15/45/60/988154560.db2.gz	FADRDTBZJQQHCX-MRXNPFEDSA-N	1	0	358.438	1.425	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1	ZINC000872862511	988198761	/nfs/dbraw/zinc/19/87/61/988198761.db2.gz	IBPNVDCGQWYMQN-KRWDZBQOSA-N	1	0	364.534	1.333	20	30		FDEDRO
COC(=O)CN1CCC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC000361054071	988260761	/nfs/dbraw/zinc/26/07/61/988260761.db2.gz	STGPXSZCTMUVMJ-UHFFFAOYSA-N	1	0	367.453	1.639	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1	ZINC000872927371	988295103	/nfs/dbraw/zinc/29/51/03/988295103.db2.gz	VOJDOXPXVUAZKF-MRXNPFEDSA-N	1	0	356.474	1.517	20	30		FDEDRO
CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC000873016855	988419662	/nfs/dbraw/zinc/41/96/62/988419662.db2.gz	RRGIKYWPOYUUDB-INIZCTEOSA-N	1	0	358.490	1.905	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)CC1	ZINC000299415125	988445770	/nfs/dbraw/zinc/44/57/70/988445770.db2.gz	RLGFDNFXAUJWTQ-MRXNPFEDSA-N	1	0	372.391	1.022	20	30		FDEDRO
C#CCCOc1ccc(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1	ZINC000294716488	988530975	/nfs/dbraw/zinc/53/09/75/988530975.db2.gz	ZFVARQPZFMXSBX-IBGZPJMESA-N	1	0	371.481	1.761	20	30		FDEDRO
CCc1ccc([C@H](C#N)NC(=O)c2cnn(CCN3CCOCC3)c2)cc1	ZINC000366220390	988552341	/nfs/dbraw/zinc/55/23/41/988552341.db2.gz	UEHQKJZPKGGFFY-IBGZPJMESA-N	1	0	367.453	1.772	20	30		FDEDRO
C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)Nc1cccc(C#Cc3ccccn3)c1)C2	ZINC000873107158	988567282	/nfs/dbraw/zinc/56/72/82/988567282.db2.gz	KRVCGEAZTFJRQU-HTAPYJJXSA-N	1	0	374.444	1.488	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000362718763	988715039	/nfs/dbraw/zinc/71/50/39/988715039.db2.gz	BAEAHLPPZXGKNF-OXJNMPFZSA-N	1	0	369.513	1.986	20	30		FDEDRO
N#C[C@]1(C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC12CCCC2	ZINC000295897919	988804872	/nfs/dbraw/zinc/80/48/72/988804872.db2.gz	XFUXVGJEFJFHMS-NQIIRXRSSA-N	1	0	353.466	1.996	20	30		FDEDRO
CN1CCN(C(=O)CC2CCN(c3nc4c(cc3C#N)CCC4)CC2)CC1	ZINC000363013862	988825612	/nfs/dbraw/zinc/82/56/12/988825612.db2.gz	ONNTZUXHNBIMTF-UHFFFAOYSA-N	1	0	367.497	1.822	20	30		FDEDRO
CCC[N@H+](CC)CCNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000363042854	988863816	/nfs/dbraw/zinc/86/38/16/988863816.db2.gz	QREHKFZPGAUICQ-UHFFFAOYSA-N	1	0	358.490	1.953	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCOC[C@@H]2c2c(C)nn(C)c2C)CC1	ZINC000368583644	988999243	/nfs/dbraw/zinc/99/92/43/988999243.db2.gz	PHAKBBAYMXLGSK-QGZVFWFLSA-N	1	0	361.490	1.770	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CC1	ZINC000369075526	989023985	/nfs/dbraw/zinc/02/39/85/989023985.db2.gz	PDYPYNNMISAPEL-UHFFFAOYSA-N	1	0	364.534	1.781	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)cc1	ZINC000363282132	989059198	/nfs/dbraw/zinc/05/91/98/989059198.db2.gz	HMAPXMGMHJBYOW-PKOBYXMFSA-N	1	0	372.469	1.737	20	30		FDEDRO
CN1CCC([N@@H+]2CC[C@H](NC(=O)NCc3ccc(OCC#N)cc3)C2)CC1	ZINC000363346840	989114525	/nfs/dbraw/zinc/11/45/25/989114525.db2.gz	YYFQWQJVAGTEHC-KRWDZBQOSA-N	1	0	371.485	1.557	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1	ZINC000363397228	989162870	/nfs/dbraw/zinc/16/28/70/989162870.db2.gz	IUALMMDYORBTQL-HZPDHXFCSA-N	1	0	357.458	1.740	20	30		FDEDRO
CN1CCC([N@@H+]2CC[C@H](NC(=O)NCCOc3ccc(C#N)cc3)C2)CC1	ZINC000369790547	989178575	/nfs/dbraw/zinc/17/85/75/989178575.db2.gz	MTRYFQGQERPJPT-KRWDZBQOSA-N	1	0	371.485	1.405	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccccc1C#N)N1CCN([C@H]2CCC[N@H+](C)C2)CC1	ZINC000363417493	989179259	/nfs/dbraw/zinc/17/92/59/989179259.db2.gz	IWIPHEIGVPEPPE-WMZOPIPTSA-N	1	0	355.486	1.597	20	30		FDEDRO
C[NH+](C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)Nc1ccn(CCC#N)n1	ZINC000363424682	989187873	/nfs/dbraw/zinc/18/78/73/989187873.db2.gz	UCKCCMNCUBJSDL-SJLPKXTDSA-N	1	0	352.442	2.536	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1C#N	ZINC000873851143	989324786	/nfs/dbraw/zinc/32/47/86/989324786.db2.gz	HLDFZOLUKAAFJK-INIZCTEOSA-N	1	0	356.426	1.638	20	30		FDEDRO
C=CCCCNC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(F)c1	ZINC000873857398	989334841	/nfs/dbraw/zinc/33/48/41/989334841.db2.gz	GDUNLVLRBBJSAE-UHFFFAOYSA-N	1	0	362.449	1.989	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000296688111	989365528	/nfs/dbraw/zinc/36/55/28/989365528.db2.gz	JHLBRTUAHZXJCE-MAUKXSAKSA-N	1	0	373.457	1.938	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cc1	ZINC000296921656	989449888	/nfs/dbraw/zinc/44/98/88/989449888.db2.gz	OHCHPVDYYGGNFW-UHFFFAOYSA-N	1	0	358.486	1.524	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1	ZINC000363903423	989457861	/nfs/dbraw/zinc/45/78/61/989457861.db2.gz	IRHWTFYWWXWTFN-IRXDYDNUSA-N	1	0	354.458	1.412	20	30		FDEDRO
Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1	ZINC000873930168	989471767	/nfs/dbraw/zinc/47/17/67/989471767.db2.gz	JJMKTZOTUSCICZ-UHFFFAOYSA-N	1	0	374.416	1.268	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)cc1C#N	ZINC000873948975	989511713	/nfs/dbraw/zinc/51/17/13/989511713.db2.gz	GMFHCMFDNSFJNE-UHFFFAOYSA-N	1	0	370.453	1.744	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCOC[C@H]1C[C@H](O)c1ccccc1	ZINC000297322386	989513916	/nfs/dbraw/zinc/51/39/16/989513916.db2.gz	IXFREMWGXAUSOH-MOPGFXCFSA-N	1	0	359.470	1.476	20	30		FDEDRO
N#Cc1ccc([C@@H](O)CN2CCC[C@@H]2C(=O)NCC2CCOCC2)cc1	ZINC000370185649	989531488	/nfs/dbraw/zinc/53/14/88/989531488.db2.gz	RMLYUXUMUIVFCM-MOPGFXCFSA-N	1	0	357.454	1.599	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N(CC)Cc1ccc(C(=O)N(C)C)cc1	ZINC000297510834	989554375	/nfs/dbraw/zinc/55/43/75/989554375.db2.gz	PBOCHDFLHSAIOT-UHFFFAOYSA-N	1	0	358.486	1.875	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NC1CCN(C(=O)c2ccc(C)cc2)CC1	ZINC000297613908	989579223	/nfs/dbraw/zinc/57/92/23/989579223.db2.gz	JZTFSAQPSMRJTA-UHFFFAOYSA-N	1	0	370.497	1.854	20	30		FDEDRO
Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CNC(=O)c1cc(C#N)cn1C	ZINC000370241912	989583688	/nfs/dbraw/zinc/58/36/88/989583688.db2.gz	GPZFAIIXLNSTJF-UHFFFAOYSA-N	1	0	369.473	1.011	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCc3cnc4n3CCCC4)=[NH+]C[C@H]2C1	ZINC000370268324	989601112	/nfs/dbraw/zinc/60/11/12/989601112.db2.gz	XMTZVTPLLPEVHV-HNNXBMFYSA-N	1	0	374.489	1.600	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)C2([NH+](C)C)Cc3ccccc3C2)n1	ZINC000364581556	989661977	/nfs/dbraw/zinc/66/19/77/989661977.db2.gz	GQFCTWPCGRXWDZ-UHFFFAOYSA-N	1	0	350.466	1.964	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CCC(CC)([NH+](C)C)CC1	ZINC000874036058	989664060	/nfs/dbraw/zinc/66/40/60/989664060.db2.gz	BDNKAKIPANXJCK-UHFFFAOYSA-N	1	0	357.454	1.970	20	30		FDEDRO
CCN(CCC#N)C(=O)CN(C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1	ZINC000364693732	989721190	/nfs/dbraw/zinc/72/11/90/989721190.db2.gz	FBWMUYKFLUEVDU-FXAWDEMLSA-N	1	0	374.533	1.887	20	30		FDEDRO
CC(C)[NH+]1CCN([C@H]2CCN(C(=O)COc3ccc(C#N)cc3)C2)CC1	ZINC000370422085	989730471	/nfs/dbraw/zinc/73/04/71/989730471.db2.gz	HFWSZISXGBDWKB-SFHVURJKSA-N	1	0	356.470	1.564	20	30		FDEDRO
C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1	ZINC000364852794	989842229	/nfs/dbraw/zinc/84/22/29/989842229.db2.gz	IOGLEWQIJLHPSU-CYBMUJFWSA-N	1	0	359.430	1.111	20	30		FDEDRO
CCNC(=O)CCCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000364873520	989858354	/nfs/dbraw/zinc/85/83/54/989858354.db2.gz	QFZHARNKFQRXJE-UHFFFAOYSA-N	1	0	356.470	1.967	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1C#N	ZINC000874175323	989884266	/nfs/dbraw/zinc/88/42/66/989884266.db2.gz	WCFFISFQMNEIAC-PBHICJAKSA-N	1	0	370.453	1.837	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3OCC#N)CC[C@@H]21	ZINC000874175602	989886654	/nfs/dbraw/zinc/88/66/54/989886654.db2.gz	XTHGYBNZDPSLEK-DOMZBBRYSA-N	1	0	360.389	1.219	20	30		FDEDRO
C=C(Br)CNC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1	ZINC000874214040	989941836	/nfs/dbraw/zinc/94/18/36/989941836.db2.gz	NZAFKHLOXXSTAR-UHFFFAOYSA-N	1	0	367.247	1.942	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1	ZINC000298194003	989952101	/nfs/dbraw/zinc/95/21/01/989952101.db2.gz	FPMQGNHJNOOPSP-SFHVURJKSA-N	1	0	356.470	1.849	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNc3ncc([N+](=O)[O-])cc3C#N)cn2)CC1	ZINC000874238864	989977460	/nfs/dbraw/zinc/97/74/60/989977460.db2.gz	PTGXGLUXVCXKFN-UHFFFAOYSA-N	1	0	353.386	1.620	20	30		FDEDRO
CON=C(C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)c1csc(N)n1	ZINC000874249843	989984550	/nfs/dbraw/zinc/98/45/50/989984550.db2.gz	VUKLEIQHLHOGKG-XQQFMLRXSA-N	1	0	365.503	1.940	20	30		FDEDRO
COc1cncc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)n1	ZINC000365075042	990002163	/nfs/dbraw/zinc/00/21/63/990002163.db2.gz	XSXWUZYCWXJKEG-UHFFFAOYSA-N	1	0	351.410	1.773	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCCN2C(=O)[C@H]2CCCO2)CC1	ZINC000365133916	990054297	/nfs/dbraw/zinc/05/42/97/990054297.db2.gz	MPWZXNYDIVCCDT-QZTJIDSGSA-N	1	0	363.502	1.703	20	30		FDEDRO
CCN1CCO[C@@H](CN2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)C1	ZINC000370873503	990073132	/nfs/dbraw/zinc/07/31/32/990073132.db2.gz	VAUIMMOJJXYUKN-HXUWFJFHSA-N	1	0	370.497	1.356	20	30		FDEDRO
C#CCCCCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC[NH+](C)C	ZINC000298579442	990172083	/nfs/dbraw/zinc/17/20/83/990172083.db2.gz	OQICUMIWXQVDCU-LJQANCHMSA-N	1	0	355.482	1.811	20	30		FDEDRO
N#CCc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C3CCOCC3)CC2)cc1	ZINC000365485050	990242037	/nfs/dbraw/zinc/24/20/37/990242037.db2.gz	NLBHBWCVQSMMMC-UHFFFAOYSA-N	1	0	370.453	1.404	20	30		FDEDRO
CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CN(c3ccccn3)C[C@H]1C)C2	ZINC001095428127	990249719	/nfs/dbraw/zinc/24/97/19/990249719.db2.gz	IDIIKKFUCGZIRJ-QQXKLLMISA-N	1	0	352.482	1.899	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2ccc(C)cn2)CC1	ZINC000371445449	990435789	/nfs/dbraw/zinc/43/57/89/990435789.db2.gz	HROCTWLYAHGCMT-CQSZACIVSA-N	1	0	373.457	1.441	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccnc(N(C)C)c2)C1	ZINC000968716991	1015565769	/nfs/dbraw/zinc/56/57/69/1015565769.db2.gz	MXHWSNFIRSWMGL-KURKYZTESA-N	1	0	358.486	1.819	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1	ZINC000874995142	990697671	/nfs/dbraw/zinc/69/76/71/990697671.db2.gz	XEYOJZPNVDIAFW-MOPGFXCFSA-N	1	0	371.481	1.484	20	30		FDEDRO
C=C[C@H](CC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1	ZINC000372288935	990997730	/nfs/dbraw/zinc/99/77/30/990997730.db2.gz	VLLKCHGACNZRJQ-QUCCMNQESA-N	1	0	357.498	1.869	20	30		FDEDRO
CN1CCC[C@@]2(CC[N@@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1=O	ZINC000372493645	991162032	/nfs/dbraw/zinc/16/20/32/991162032.db2.gz	HVCOLZROXANMTB-RXVVDRJESA-N	1	0	366.465	1.998	20	30		FDEDRO
N#Cc1cnn(-c2ccc(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)c1N	ZINC000372560080	991213692	/nfs/dbraw/zinc/21/36/92/991213692.db2.gz	NKLYIUAERASACM-WBVHZDCISA-N	1	0	350.426	1.683	20	30		FDEDRO
C=CCN(CC)C(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1	ZINC000372561503	991216874	/nfs/dbraw/zinc/21/68/74/991216874.db2.gz	LZZAAXFAGWEXIM-UHFFFAOYSA-N	1	0	372.469	1.437	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)c1	ZINC000372579649	991240465	/nfs/dbraw/zinc/24/04/65/991240465.db2.gz	WXJLGWONAJSBMI-SJLPKXTDSA-N	1	0	355.438	1.224	20	30		FDEDRO
C=CCN(C(=O)C(=O)Nc1cnn(C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000372643006	991291058	/nfs/dbraw/zinc/29/10/58/991291058.db2.gz	XDWQDLOUYBKYOV-SFHVURJKSA-N	1	0	367.453	1.648	20	30		FDEDRO
N#CCCCOc1cccnc1NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000372678829	991335083	/nfs/dbraw/zinc/33/50/83/991335083.db2.gz	CHASECURPDRIIQ-JKSUJKDBSA-N	1	0	373.457	1.827	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000875599372	991787183	/nfs/dbraw/zinc/78/71/83/991787183.db2.gz	PGGCFOHBGKBYOG-MOPGFXCFSA-N	1	0	371.481	1.264	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C	ZINC000875605063	991794853	/nfs/dbraw/zinc/79/48/53/991794853.db2.gz	VHLPGIOCMYDFEW-PKOBYXMFSA-N	1	0	371.481	1.264	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1	ZINC000875606283	991796211	/nfs/dbraw/zinc/79/62/11/991796211.db2.gz	RQORUNAEDNBVOF-QZTJIDSGSA-N	1	0	363.502	1.111	20	30		FDEDRO
CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NCCc1ccc(C#N)cc1	ZINC000875717293	991938004	/nfs/dbraw/zinc/93/80/04/991938004.db2.gz	ZRYRCFIODWUMMM-UHFFFAOYSA-N	1	0	356.470	1.855	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)[C@@H]2C1	ZINC000373141889	991953035	/nfs/dbraw/zinc/95/30/35/991953035.db2.gz	RVZDXEUYOGALSP-SJLPKXTDSA-N	1	0	368.485	1.658	20	30		FDEDRO
CC[N@H+](CCO)CCNC(=O)NC1CCN(c2ccccc2C#N)CC1	ZINC000876003548	992249663	/nfs/dbraw/zinc/24/96/63/992249663.db2.gz	SGZYRBWLPJMFQT-UHFFFAOYSA-N	1	0	359.474	1.140	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H](c2nc(C)no2)C2CCOCC2)CC1	ZINC000373548231	992279824	/nfs/dbraw/zinc/27/98/24/992279824.db2.gz	YWYSTNUXEJFORP-INIZCTEOSA-N	1	0	363.462	1.795	20	30		FDEDRO
COCC1(C#N)CCN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)CC1	ZINC000411505424	992465722	/nfs/dbraw/zinc/46/57/22/992465722.db2.gz	REJNAAPGMBPGLH-UHFFFAOYSA-N	1	0	372.469	1.774	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC[C@](COC)(C(=O)OCC)C2)CC1	ZINC000373949149	992526589	/nfs/dbraw/zinc/52/65/89/992526589.db2.gz	FRHSIERQMAIHOU-IBGZPJMESA-N	1	0	367.490	1.638	20	30		FDEDRO
CCO[C@@H]1C[C@H](O)C12CC[NH+](CC(=O)N(C)C1(C#N)CCCCC1)CC2	ZINC000374180123	992676937	/nfs/dbraw/zinc/67/69/37/992676937.db2.gz	ABGNKLCWNDNLHA-DLBZAZTESA-N	1	0	363.502	1.923	20	30		FDEDRO
CO[C@H]1c2ccccc2C[C@H]1[NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000411896571	992684353	/nfs/dbraw/zinc/68/43/53/992684353.db2.gz	RXCGIINIKNWVQV-SBHAEUEKSA-N	1	0	370.497	1.581	20	30		FDEDRO
COC(=O)[C@@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@H+](C)C1	ZINC000411924042	992705787	/nfs/dbraw/zinc/70/57/87/992705787.db2.gz	XGLHLEMPHJQGBG-SFHVURJKSA-N	1	0	367.453	1.495	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C	ZINC000876562925	992707318	/nfs/dbraw/zinc/70/73/18/992707318.db2.gz	VLFDPHQVYDVJLO-LBPRGKRZSA-N	1	0	374.894	1.411	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC[N@@H+]1C	ZINC000964932313	1015727891	/nfs/dbraw/zinc/72/78/91/1015727891.db2.gz	DTUYAJLYQFSFML-VNQPRFMTSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1	ZINC000876595738	992729232	/nfs/dbraw/zinc/72/92/32/992729232.db2.gz	FQOLTUFYNJHSEK-OAHLLOKOSA-N	1	0	351.834	1.450	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1	ZINC000876623957	992750381	/nfs/dbraw/zinc/75/03/81/992750381.db2.gz	CQYMEOCOBRWQJW-HNNXBMFYSA-N	1	0	353.825	1.509	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@H](c2nccn2C)C1	ZINC000374329877	992774643	/nfs/dbraw/zinc/77/46/43/992774643.db2.gz	GOLCRTAZQDWMQL-ZDUSSCGKSA-N	1	0	370.384	1.526	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1	ZINC000876706298	992812068	/nfs/dbraw/zinc/81/20/68/992812068.db2.gz	NKWOLAQDIYFXRZ-JXFKEZNVSA-N	1	0	366.465	1.795	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)N2CCC(C#N)(c3ccccn3)CC2)C1	ZINC000374414494	992830719	/nfs/dbraw/zinc/83/07/19/992830719.db2.gz	HOAXZTZFSMCYKB-INIZCTEOSA-N	1	0	357.458	1.369	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCn2c(CCc3ccccc3)nnc2C1	ZINC000876772045	992894815	/nfs/dbraw/zinc/89/48/15/992894815.db2.gz	FXBCRVCKTORWNZ-OAHLLOKOSA-N	1	0	359.861	1.875	20	30		FDEDRO
O=C(CC(F)(F)C(F)(F)F)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000876841786	992933686	/nfs/dbraw/zinc/93/36/86/992933686.db2.gz	WCUARABDVVOMCW-ZETCQYMHSA-N	1	0	357.245	1.526	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N(Cc1cccnc1)[C@H]1CCS(=O)(=O)C1	ZINC000876873585	992943911	/nfs/dbraw/zinc/94/39/11/992943911.db2.gz	KTEITJHECPRSHI-KBPBESRZSA-N	1	0	357.863	1.067	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCN(Cc2noc(C(C)(C)C)n2)CC1	ZINC000876884667	992948782	/nfs/dbraw/zinc/94/87/82/992948782.db2.gz	RLKMQTQYWOSCOY-CYBMUJFWSA-N	1	0	369.897	1.871	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCc1nnc(C2CC2)n1C1CC1	ZINC000876904955	992961072	/nfs/dbraw/zinc/96/10/72/992961072.db2.gz	AVZYCZJEPPZPMV-GOSISDBHSA-N	1	0	362.437	1.865	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3cccc(OCCCC#N)c3)C[C@@H]21	ZINC000375047172	992988330	/nfs/dbraw/zinc/98/83/30/992988330.db2.gz	CAEOSDFKWZJPLK-QAPCUYQASA-N	1	0	370.453	1.860	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1	ZINC000876969575	992989247	/nfs/dbraw/zinc/98/92/47/992989247.db2.gz	UBEHDQLEFWVGFD-GJZGRUSLSA-N	1	0	371.890	1.889	20	30		FDEDRO
CC(C)NC(=O)[C@@H]1CCCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876976073	992993088	/nfs/dbraw/zinc/99/30/88/992993088.db2.gz	MYLODAIAFCYLPZ-AEFFLSMTSA-N	1	0	354.454	1.508	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1	ZINC000877251477	993151376	/nfs/dbraw/zinc/15/13/76/993151376.db2.gz	QVNCWGUGPNSDHK-AWEZNQCLSA-N	1	0	352.360	1.591	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)c3cnn([C@H]4CCC[NH2+]C4)c3)CC2)cn1	ZINC000877296913	993193328	/nfs/dbraw/zinc/19/33/28/993193328.db2.gz	LIHSWJZSFYTMFD-SFHVURJKSA-N	1	0	365.441	1.037	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@@H]1CCN(CC)C1=O	ZINC001095537849	993299953	/nfs/dbraw/zinc/29/99/53/993299953.db2.gz	MIPSLXZTVKKWPT-MUQADHOPSA-N	1	0	356.470	1.630	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[N@@H+]1CCC[C@H]1C[C@@]1(C)NC(=O)NC1=O	ZINC000877516918	993316834	/nfs/dbraw/zinc/31/68/34/993316834.db2.gz	GMAJCZAJTNZGBT-HNAYVOBHSA-N	1	0	355.442	1.577	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C	ZINC000877559217	993340671	/nfs/dbraw/zinc/34/06/71/993340671.db2.gz	JUXWZYYUGWSGSH-MRXNPFEDSA-N	1	0	362.474	1.942	20	30		FDEDRO
N#Cc1cnc(Cl)c(C[NH2+]CC2(N3CCOCC3)CCOCC2)c1	ZINC000877583063	993357922	/nfs/dbraw/zinc/35/79/22/993357922.db2.gz	DBQQVXJNKDKVCB-UHFFFAOYSA-N	1	0	350.850	1.578	20	30		FDEDRO
N#Cc1cccc(CN2CCC([NH2+]CC3CCS(=O)(=O)CC3)CC2)c1	ZINC000877614299	993380483	/nfs/dbraw/zinc/38/04/83/993380483.db2.gz	CCCQREHFBYGYHW-UHFFFAOYSA-N	1	0	361.511	1.937	20	30		FDEDRO
COC(=O)C1=NO[C@@]2(CC[N@H+](Cc3ccc(N(C)CCC#N)cc3)C2)C1	ZINC000877714728	993468809	/nfs/dbraw/zinc/46/88/09/993468809.db2.gz	POWKZAVFRFKXQC-IBGZPJMESA-N	1	0	356.426	1.930	20	30		FDEDRO
Cc1cc(C(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)nn1-c1cccc(C#N)c1	ZINC000470053736	993940758	/nfs/dbraw/zinc/94/07/58/993940758.db2.gz	BYUSKYKTKIPMDB-MRXNPFEDSA-N	1	0	367.453	1.581	20	30		FDEDRO
CCOC(=O)[C@H]1C[N@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)CC12COC2	ZINC000878658818	994094856	/nfs/dbraw/zinc/09/48/56/994094856.db2.gz	VASJLHKQQZSIPW-WIYYLYMNSA-N	1	0	370.449	1.939	20	30		FDEDRO
C[NH+](C)CCCOc1ccc(NC(=O)N[C@@H]2CCCN(O)C2=O)cc1	ZINC000878660122	994097898	/nfs/dbraw/zinc/09/78/98/994097898.db2.gz	OXXASYUCNGCLNJ-OAHLLOKOSA-N	1	0	350.419	1.519	20	30		FDEDRO
COC(=O)C1(C#N)CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000878676111	994108786	/nfs/dbraw/zinc/10/87/86/994108786.db2.gz	OGSVBSXRNXTULQ-HXUWFJFHSA-N	1	0	357.454	1.402	20	30		FDEDRO
COC(=O)C1(C#N)CC[NH+](CCC(=O)NCc2cnc(C)s2)CC1	ZINC000878678411	994109657	/nfs/dbraw/zinc/10/96/57/994109657.db2.gz	WJRBTDUWOGPFIH-UHFFFAOYSA-N	1	0	350.444	1.237	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H](CNC(=O)OC(C)(C)C)OC)CC1	ZINC000878750360	994191680	/nfs/dbraw/zinc/19/16/80/994191680.db2.gz	BKFYFRWHBCBQRG-HNNXBMFYSA-N	1	0	355.479	1.683	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCN2CCN(C(=O)OC(C)(C)C)CC2)C[C@H](C)N1CC#N	ZINC000878772846	994216070	/nfs/dbraw/zinc/21/60/70/994216070.db2.gz	SLHBWCJLXCIGIW-CALCHBBNSA-N	1	0	365.522	1.457	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)CC1	ZINC000878852688	994290383	/nfs/dbraw/zinc/29/03/83/994290383.db2.gz	VJHAMBJJFMNMAT-UHFFFAOYSA-N	1	0	358.442	1.229	20	30		FDEDRO
CN(C(=O)COC(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1)C(C)(C)C#N	ZINC000924184097	994463182	/nfs/dbraw/zinc/46/31/82/994463182.db2.gz	DWSAMHFPDHLJCX-FLIBITNWSA-N	1	0	373.453	1.944	20	30		FDEDRO
C=CCN1CC[C@@H](OC(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)C1=O	ZINC000924188244	994466448	/nfs/dbraw/zinc/46/64/48/994466448.db2.gz	YVOAZNGWKIMXMK-RUJXFNLJSA-N	1	0	358.438	1.970	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2	ZINC001110886285	994488946	/nfs/dbraw/zinc/48/89/46/994488946.db2.gz	VALYLLCHKURKGY-HZMVEIRTSA-N	1	0	362.518	1.273	20	30		FDEDRO
Cc1cc(NC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)nn1CCC#N	ZINC000879078710	994515799	/nfs/dbraw/zinc/51/57/99/994515799.db2.gz	UHXPWKBDRUMLEO-INIZCTEOSA-N	1	0	360.462	1.870	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H]1CCS(=O)(=O)C1	ZINC001110892037	994588069	/nfs/dbraw/zinc/58/80/69/994588069.db2.gz	KACIUIUUFCTGJZ-JJXSEGSLSA-N	1	0	354.516	1.745	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCc2c(CC(N)=O)cccc2C1	ZINC000879233541	994678424	/nfs/dbraw/zinc/67/84/24/994678424.db2.gz	BXDLZQCFJZQZAY-GOSISDBHSA-N	1	0	365.433	1.384	20	30		FDEDRO
CO[C@H]1C[C@H]2C[N@H+](CCC(=O)N(C)CCC#N)Cc3cccnc3N2C1	ZINC000879268828	994717671	/nfs/dbraw/zinc/71/76/71/994717671.db2.gz	GZDZGSYSCGIIMU-IRXDYDNUSA-N	1	0	357.458	1.253	20	30		FDEDRO
CO[C@@H]1CC[C@H](C)[N@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1	ZINC000879322715	994773260	/nfs/dbraw/zinc/77/32/60/994773260.db2.gz	VJBRFGCNTDJJAO-DZGCQCFKSA-N	1	0	361.446	1.003	20	30		FDEDRO
CC[C@@H](C#N)Oc1cc(CN2C(=O)N[C@H](C[NH+](C)C)C2=O)ccc1OC	ZINC000924646083	994909097	/nfs/dbraw/zinc/90/90/97/994909097.db2.gz	JVXUBBLVMXXOBR-UONOGXRCSA-N	1	0	360.414	1.358	20	30		FDEDRO
CSC[C@@H]1NC(=O)N(C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1=O	ZINC000924971918	995199406	/nfs/dbraw/zinc/19/94/06/995199406.db2.gz	ZEAFGEHFPITBJQ-INIZCTEOSA-N	1	0	358.467	1.806	20	30		FDEDRO
C[N@@H+]1C[C@H](C(=O)NC2CC3(CC(NCC#N)C3)C2)[C@@H](c2ccccc2)C1	ZINC000965211362	1015923613	/nfs/dbraw/zinc/92/36/13/1015923613.db2.gz	PANLSNIZGGXTRA-FAFJLIIVSA-N	1	0	352.482	1.872	20	30		FDEDRO
C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@@H](O)CN(C)C	ZINC000924995689	995221400	/nfs/dbraw/zinc/22/14/00/995221400.db2.gz	XXKJTSZDWABOGO-HZPDHXFCSA-N	1	0	368.522	1.818	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCC2(C)CCN(c3ccc(C#N)nn3)CC2)CC[N@@H+]1C	ZINC001110898282	995231195	/nfs/dbraw/zinc/23/11/95/995231195.db2.gz	ZPEBAHOLEDJLGW-GDBMZVCRSA-N	1	0	356.474	1.411	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)n1	ZINC000925164879	995354531	/nfs/dbraw/zinc/35/45/31/995354531.db2.gz	XJTWLPNFTNQFEU-SJORKVTESA-N	1	0	361.515	1.628	20	30		FDEDRO
C#CC[N@H+](C)CCCN1C(=O)N[C@H](c2ccc(Br)cc2)C1=O	ZINC000925308920	995478412	/nfs/dbraw/zinc/47/84/12/995478412.db2.gz	UDPDVRRKBXGMSP-CQSZACIVSA-N	1	0	364.243	1.997	20	30		FDEDRO
C=CCN1CC(=O)N(C[C@H]2CCC[N@H+](C3CC3)[C@@H]2c2ccnn2C)C1=O	ZINC000925419858	995581497	/nfs/dbraw/zinc/58/14/97/995581497.db2.gz	GHPUKGCBJQMLKG-KDOFPFPSSA-N	1	0	357.458	1.786	20	30		FDEDRO
N#Cc1ccc(NC(=O)N2CCNCC[NH2+]CC2)cc1Br	ZINC000926114407	995922764	/nfs/dbraw/zinc/92/27/64/995922764.db2.gz	JDCCHDDANFNXSQ-UHFFFAOYSA-N	1	0	352.236	1.347	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O	ZINC000926166880	995953001	/nfs/dbraw/zinc/95/30/01/995953001.db2.gz	RNPMIKYEJDDUOI-CWLMSFPYSA-N	1	0	359.470	1.856	20	30		FDEDRO
CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)COc3ccc(C#N)cc3)C2)[C@@H]1C(C)C	ZINC000926262667	996006793	/nfs/dbraw/zinc/00/67/93/996006793.db2.gz	JFBOFYOHFRAWSI-RMVXJAJNSA-N	1	0	371.481	1.923	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1nonc1C)C2	ZINC000965425216	1016060291	/nfs/dbraw/zinc/06/02/91/1016060291.db2.gz	RIGLSRBDVHZLID-PWVIFBGPSA-N	1	0	360.458	1.876	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+]CC2(C3(O)CCC3)CCC2)CC1	ZINC000886979489	996794728	/nfs/dbraw/zinc/79/47/28/996794728.db2.gz	NDLMLDXPIOTAEX-QGZVFWFLSA-N	1	0	362.518	1.354	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N2Cc3ccccc3C[C@H]2C(=O)OC)CCOCC1	ZINC000887126174	996956278	/nfs/dbraw/zinc/95/62/78/996956278.db2.gz	ZHMPITHHWURXFK-SFHVURJKSA-N	1	0	370.449	1.275	20	30		FDEDRO
C#CCN(CC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)C(=O)OC(C)(C)C	ZINC000826545148	997014510	/nfs/dbraw/zinc/01/45/10/997014510.db2.gz	XKIPHSVKDQCTEZ-INIZCTEOSA-N	1	0	367.490	1.426	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CN(Cc3cccc(C)c3)CCO2)CC1	ZINC000826565377	997149102	/nfs/dbraw/zinc/14/91/02/997149102.db2.gz	VLGYFCKWWZWGSB-NRFANRHFSA-N	1	0	369.509	1.657	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1	ZINC000333392410	997212457	/nfs/dbraw/zinc/21/24/57/997212457.db2.gz	HESZDQBAWIEBEY-DKKFBQAASA-N	1	0	360.502	1.226	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCC(=O)Nc2cccc(F)c2)CC1	ZINC000264135281	997410099	/nfs/dbraw/zinc/41/00/99/997410099.db2.gz	ZHBCXFGILJQUPW-UHFFFAOYSA-N	1	0	365.409	1.289	20	30		FDEDRO
COc1cc(OCC(=O)N(CCC#N)CCC[NH+](C)C)ccc1[N+](=O)[O-]	ZINC000264138297	997411461	/nfs/dbraw/zinc/41/14/61/997411461.db2.gz	FZFMJAWBBLOGKO-UHFFFAOYSA-N	1	0	364.402	1.676	20	30		FDEDRO
COc1ccc([C@@H](CNC(=[NH2+])NCC(C)C)N2CCOCC2)cc1OC	ZINC000264143391	997412998	/nfs/dbraw/zinc/41/29/98/997412998.db2.gz	XBPREOIZNKFIOE-MRXNPFEDSA-N	1	0	364.490	1.637	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NCCCNC(=O)c2cccc(O)c2)cc1OC	ZINC000264238159	997434896	/nfs/dbraw/zinc/43/48/96/997434896.db2.gz	DLYLILMHNCYBEI-UHFFFAOYSA-N	1	0	372.425	1.956	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NC[C@](O)(c1ccccc1)C(F)(F)F	ZINC000264242014	997434967	/nfs/dbraw/zinc/43/49/67/997434967.db2.gz	FJGJAUXPSXLCEH-INIZCTEOSA-N	1	0	374.407	1.063	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC000264788564	997610273	/nfs/dbraw/zinc/61/02/73/997610273.db2.gz	XJXYCTMFIQCEDG-HYEKCJMVSA-N	1	0	363.462	1.077	20	30		FDEDRO
Cc1ccc(CN(CC[NH+](C)C)C(=O)CCNC(=O)C2N=CC=CC2=O)o1	ZINC000265005225	997671414	/nfs/dbraw/zinc/67/14/14/997671414.db2.gz	FYYBOXKTIOEYFL-HNENSFHCSA-N	1	0	374.441	1.395	20	30		FDEDRO
CC(C)[NH+]1CCN(CCC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)CC1	ZINC000887737154	997713150	/nfs/dbraw/zinc/71/31/50/997713150.db2.gz	QSIPQBNQELRTND-HXUWFJFHSA-N	1	0	370.497	1.874	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)CC1	ZINC000887851912	997891260	/nfs/dbraw/zinc/89/12/60/997891260.db2.gz	IHCZFIYQKKSVHU-UHFFFAOYSA-N	1	0	360.458	1.782	20	30		FDEDRO
N#Cc1cc(NC(=O)C2C[NH+]([C@H]3CCOC3)C2)ccc1Br	ZINC000887994554	998000393	/nfs/dbraw/zinc/00/03/93/998000393.db2.gz	BFRPYKUTAXPALQ-ZDUSSCGKSA-N	1	0	350.216	1.980	20	30		FDEDRO
C#CC[C@H]1CCN(C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)C1	ZINC000888016582	998022986	/nfs/dbraw/zinc/02/29/86/998022986.db2.gz	RJQIZSKBZKLEIO-KRWDZBQOSA-N	1	0	369.469	1.175	20	30		FDEDRO
[NH2+]=C(NCc1cccc(NC(=O)CCN2CCOCC2)c1)NCC1CCC1	ZINC000104166472	998311221	/nfs/dbraw/zinc/31/12/21/998311221.db2.gz	JAUKLGJKKGUDPK-UHFFFAOYSA-N	1	0	373.501	1.552	20	30		FDEDRO
N#Cc1cccc(-n2ccc(C(=O)N3CC[C@H]4[C@@H]3CCC[N@H+]4CCO)n2)c1	ZINC000889755092	998601226	/nfs/dbraw/zinc/60/12/26/998601226.db2.gz	HGPHZSOYSIPYBG-OALUTQOASA-N	1	0	365.437	1.415	20	30		FDEDRO
N#Cc1cccc(-c2cc(C(=O)N3CC[C@H]4[C@@H]3CCC[N@H+]4CCO)on2)c1	ZINC000889758357	998610803	/nfs/dbraw/zinc/61/08/03/998610803.db2.gz	ZHEJRXBLDDGRLR-ROUUACIJSA-N	1	0	366.421	1.884	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(CC#N)n1)C1CCCCC1	ZINC000889793762	998664006	/nfs/dbraw/zinc/66/40/06/998664006.db2.gz	QJHPWWATWCJMPW-MRXNPFEDSA-N	1	0	357.458	1.713	20	30		FDEDRO
C[N@H+](CCCNC(=O)C(=O)Nc1cccc(CC#N)n1)C1CCCCC1	ZINC000889796501	998665206	/nfs/dbraw/zinc/66/52/06/998665206.db2.gz	NFCNELUBGYHQAG-UHFFFAOYSA-N	1	0	357.458	1.857	20	30		FDEDRO
CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc(C3CC3)c(C#N)c2)CC1	ZINC000889796500	998665352	/nfs/dbraw/zinc/66/53/52/998665352.db2.gz	NEWNOCMNMSJRLP-UHFFFAOYSA-N	1	0	369.469	1.128	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)n1	ZINC000889952326	998743124	/nfs/dbraw/zinc/74/31/24/998743124.db2.gz	KNCOTKPZLQZTSI-INIZCTEOSA-N	1	0	355.442	1.563	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)n1	ZINC000889963065	998749896	/nfs/dbraw/zinc/74/98/96/998749896.db2.gz	RIAOKUUGVMVCNF-HNNXBMFYSA-N	1	0	355.442	1.421	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC[N@@H+]1CCC(C)(C)C1	ZINC000890079973	998808221	/nfs/dbraw/zinc/80/82/21/998808221.db2.gz	ODIXDJZXWWUHDZ-UHFFFAOYSA-N	1	0	368.485	1.999	20	30		FDEDRO
CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)Nc1cccc(CC#N)n1	ZINC000890147578	998843201	/nfs/dbraw/zinc/84/32/01/998843201.db2.gz	ZJFHMUSQNOOPGC-UHFFFAOYSA-N	1	0	365.437	1.806	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)N2Cc3cccnc3N3CCC[C@H]3C2)C1	ZINC000890361296	998913300	/nfs/dbraw/zinc/91/33/00/998913300.db2.gz	NOZCEBZGACHTKW-MSOLQXFVSA-N	1	0	353.470	1.673	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)N[C@](C)(CO)Cc2ccc(OC)cc2)C1	ZINC000890360951	998913410	/nfs/dbraw/zinc/91/34/10/998913410.db2.gz	GLFZVTVZDUXRJJ-XLIONFOSSA-N	1	0	359.470	1.386	20	30		FDEDRO
CSc1ccc(CNC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cc1C#N	ZINC000890451071	998948479	/nfs/dbraw/zinc/94/84/79/998948479.db2.gz	SOONGJJULKCSPK-ZIAGYGMSSA-N	1	0	362.499	1.877	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)N[C@@H](C)C2CC2)cc1	ZINC001110884229	999112134	/nfs/dbraw/zinc/11/21/34/999112134.db2.gz	VHMGSWYWHLLDRL-PSAKCFHXSA-N	1	0	365.477	1.918	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NC[C@@H](CC[NH+](C)C)OCC)c1	ZINC000267879387	999409231	/nfs/dbraw/zinc/40/92/31/999409231.db2.gz	GDOGMQAGYWAXAM-QGZVFWFLSA-N	1	0	361.442	1.110	20	30		FDEDRO
CC(C)c1ccc([C@H]([NH3+])CNC(=O)CCNC(=O)C2N=CC=CC2=O)cc1	ZINC000269167939	999464074	/nfs/dbraw/zinc/46/40/74/999464074.db2.gz	GJQAPITYZSFUKG-DVSFIDLUSA-N	1	0	370.453	1.843	20	30		FDEDRO
CC(C)c1ccc([C@@H]([NH3+])CNC(=O)CCNC(=O)C2N=CC=CC2=O)cc1	ZINC000269167940	999464246	/nfs/dbraw/zinc/46/42/46/999464246.db2.gz	GJQAPITYZSFUKG-JVMRMLDLSA-N	1	0	370.453	1.843	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1C#N	ZINC000270271528	999533940	/nfs/dbraw/zinc/53/39/40/999533940.db2.gz	UTUQLQSZQBNNDV-INIZCTEOSA-N	1	0	354.454	1.996	20	30		FDEDRO
C[N@@H+]1CC[C@@H](NC(=O)CCNC(=O)C2N=CC=CC2=O)[C@H]1c1ccccc1	ZINC000270658086	999594174	/nfs/dbraw/zinc/59/41/74/999594174.db2.gz	NVXMKEFIKAZJGB-YVCJNRQBSA-N	1	0	368.437	1.465	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)nn1CCC#N	ZINC000271045823	999652406	/nfs/dbraw/zinc/65/24/06/999652406.db2.gz	UIDJVBWFFBTODI-UHFFFAOYSA-N	1	0	374.489	1.815	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)nn1CCC#N	ZINC000271201980	999674210	/nfs/dbraw/zinc/67/42/10/999674210.db2.gz	ZJULOXRLRGHTHG-CVEARBPZSA-N	1	0	372.473	1.517	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)CC1	ZINC000271698954	999725957	/nfs/dbraw/zinc/72/59/57/999725957.db2.gz	SXLZXBPHGAFMRA-AWEZNQCLSA-N	1	0	358.442	1.946	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1	ZINC000273968778	999735146	/nfs/dbraw/zinc/73/51/46/999735146.db2.gz	GMXLUOWHYLBCHC-ZDUSSCGKSA-N	1	0	372.429	1.674	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(F)c1	ZINC000283286726	999747860	/nfs/dbraw/zinc/74/78/60/999747860.db2.gz	OATJVMFOLWGXOL-BBRMVZONSA-N	1	0	361.392	1.827	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2cccc(NC(C)=O)c2)CC1	ZINC000284114341	999777114	/nfs/dbraw/zinc/77/71/14/999777114.db2.gz	QZADHNUWLVLSAA-AWEZNQCLSA-N	1	0	372.469	1.589	20	30		FDEDRO
CO[C@H]1C[C@@H](CN(C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[N@H+](C)C1	ZINC000285000021	999892711	/nfs/dbraw/zinc/89/27/11/999892711.db2.gz	YVDUHEWTCMJRJF-GBESFXJTSA-N	1	0	356.470	1.705	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(CCOc2ccc(C#N)cc2)CC1	ZINC000285347019	999910521	/nfs/dbraw/zinc/91/05/21/999910521.db2.gz	AIWQQNFOHFSIRS-UHFFFAOYSA-N	1	0	361.486	1.996	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](C(=O)NC[C@@H](O)C[NH+]3CCCCC3)C2)c(F)c1	ZINC000286031956	999932716	/nfs/dbraw/zinc/93/27/16/999932716.db2.gz	BAWPZDAUZACMQT-DLBZAZTESA-N	1	0	374.460	1.487	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000286106527	999939215	/nfs/dbraw/zinc/93/92/15/999939215.db2.gz	UFJHOEGNAZIPON-QUCCMNQESA-N	1	0	356.514	1.569	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)NC1CC[NH+](CCCOC)CC1	ZINC000286385993	999944178	/nfs/dbraw/zinc/94/41/78/999944178.db2.gz	NBRZXMLBHQBRAA-UHFFFAOYSA-N	1	0	373.497	1.818	20	30		FDEDRO
C=CCC[C@@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](CCOC)C1)c1ccccc1	ZINC000286629284	999945522	/nfs/dbraw/zinc/94/55/22/999945522.db2.gz	PUOPCNWAKBWQPN-ZWKOTPCHSA-N	1	0	359.470	1.647	20	30		FDEDRO
C#CCN(CC#N)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1	ZINC000286879807	999953086	/nfs/dbraw/zinc/95/30/86/999953086.db2.gz	OILBLVFIAPPTJW-UXHICEINSA-N	1	0	361.449	1.621	20	30		FDEDRO
N#CCCCNC(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000287014575	999953965	/nfs/dbraw/zinc/95/39/65/999953965.db2.gz	ZLOOHXYDBGANCA-IBGZPJMESA-N	1	0	355.486	1.892	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCCCN2C(=O)c3ccccc3C2=O)CC1	ZINC000287038977	999954347	/nfs/dbraw/zinc/95/43/47/999954347.db2.gz	WLCDDCJOFUDRTJ-UHFFFAOYSA-N	1	0	353.422	1.134	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C	ZINC000288121045	999988267	/nfs/dbraw/zinc/98/82/67/999988267.db2.gz	KBNWIRNZNHZJAA-PBHICJAKSA-N	1	0	370.453	1.981	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1	ZINC000288199004	999996262	/nfs/dbraw/zinc/99/62/62/999996262.db2.gz	SHHXSGGBBFNRSA-DOTOQJQBSA-N	1	0	355.438	1.722	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N(C)Cc2cccc(C#N)c2)CCCO1	ZINC000288226226	999998520	/nfs/dbraw/zinc/99/85/20/999998520.db2.gz	VYZYXJHIKJUOIT-MRXNPFEDSA-N	1	0	372.469	1.134	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)nn1CCC#N	ZINC000288225272	999998547	/nfs/dbraw/zinc/99/85/47/999998547.db2.gz	UUNFMQQTUYVRHE-DZGCQCFKSA-N	1	0	358.446	1.129	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H](c3ccncc3)C2)CC1	ZINC000289288835	1000087876	/nfs/dbraw/zinc/08/78/76/1000087876.db2.gz	GYJIZNQDKXOOJV-PMACEKPBSA-N	1	0	369.513	1.953	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CON(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1	ZINC000927344987	1000785267	/nfs/dbraw/zinc/78/52/67/1000785267.db2.gz	WITGFQGCYJALPC-AWEZNQCLSA-N	1	0	366.462	1.276	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cc21	ZINC000927795262	1001053739	/nfs/dbraw/zinc/05/37/39/1001053739.db2.gz	NQIKTIADYNNDRA-XIRDDKMYSA-N	1	0	367.453	1.747	20	30		FDEDRO
CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)CC2(C#N)CC2)CC1	ZINC000927841157	1001097379	/nfs/dbraw/zinc/09/73/79/1001097379.db2.gz	CRUSOLUFZIVSIQ-UHFFFAOYSA-N	1	0	350.463	1.786	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1	ZINC000927845705	1001107434	/nfs/dbraw/zinc/10/74/34/1001107434.db2.gz	AAGVBVFXWDXVGC-ZIAGYGMSSA-N	1	0	371.359	1.928	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1Cl	ZINC000927847905	1001112248	/nfs/dbraw/zinc/11/22/48/1001112248.db2.gz	OLCKXUSGGVJNNC-PWSUYJOCSA-N	1	0	374.750	1.888	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1C#N	ZINC000927849432	1001115664	/nfs/dbraw/zinc/11/56/64/1001115664.db2.gz	RGOHTVUSMQPQLC-VXGBXAGGSA-N	1	0	354.332	1.543	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1	ZINC000927850147	1001118232	/nfs/dbraw/zinc/11/82/32/1001118232.db2.gz	ZNFAKXPWTRRUBO-ZIAGYGMSSA-N	1	0	369.343	1.375	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)ccc1F	ZINC000928456675	1001532967	/nfs/dbraw/zinc/53/29/67/1001532967.db2.gz	PRRZJJKBJNQCAP-FZMZJTMJSA-N	1	0	355.435	1.112	20	30		FDEDRO
C[N@@H+]1CC[C@H]1CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N	ZINC000928570643	1001577927	/nfs/dbraw/zinc/57/79/27/1001577927.db2.gz	FPQBZGIVCJGBMP-LPRCSBTHSA-N	1	0	362.474	1.594	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H](O)[C@](O)(c2ccccc2)C(F)(F)F)CC1	ZINC000928648501	1001606233	/nfs/dbraw/zinc/60/62/33/1001606233.db2.gz	MGWNZYCQWMQVQR-DOTOQJQBSA-N	1	0	370.371	1.011	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CC(F)(F)CNC(=O)OC(C)(C)C)CC1	ZINC000928648966	1001607088	/nfs/dbraw/zinc/60/70/88/1001607088.db2.gz	FEQBYGAIZQBNLD-UHFFFAOYSA-N	1	0	359.417	1.750	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H](C)Cc2c(C)nn(COCC)c2C)CC1	ZINC000928648837	1001607112	/nfs/dbraw/zinc/60/71/12/1001607112.db2.gz	DUHHHVHRUFIIEF-HNNXBMFYSA-N	1	0	360.502	1.886	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)CC1	ZINC000928655521	1001611721	/nfs/dbraw/zinc/61/17/21/1001611721.db2.gz	SEGDBVOGJUJAJY-SFHVURJKSA-N	1	0	353.466	1.753	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)CC1	ZINC000928656294	1001612004	/nfs/dbraw/zinc/61/20/04/1001612004.db2.gz	QVLRBSWDAYMABM-UHFFFAOYSA-N	1	0	360.845	1.697	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)CC1	ZINC000928655788	1001612010	/nfs/dbraw/zinc/61/20/10/1001612010.db2.gz	YQOFAIUJUMYQBS-QGZVFWFLSA-N	1	0	372.488	1.550	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)CC1	ZINC000928657237	1001612629	/nfs/dbraw/zinc/61/26/29/1001612629.db2.gz	SWTZVUAHGZURAR-UHFFFAOYSA-N	1	0	367.471	1.184	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CN2CCN(Cc3ccccc3)CC2)CC1	ZINC000928657731	1001613302	/nfs/dbraw/zinc/61/33/02/1001613302.db2.gz	VYTUUEXDUBEXAR-UHFFFAOYSA-N	1	0	354.498	1.018	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)CC1	ZINC000928657558	1001613366	/nfs/dbraw/zinc/61/33/66/1001613366.db2.gz	NSNMFVXKNIGNSX-LJQANCHMSA-N	1	0	353.466	1.434	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)CC1	ZINC000928658823	1001613857	/nfs/dbraw/zinc/61/38/57/1001613857.db2.gz	UCEVMMKFOGTHKQ-INIZCTEOSA-N	1	0	373.884	1.902	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)CC1	ZINC000928659004	1001614490	/nfs/dbraw/zinc/61/44/90/1001614490.db2.gz	BAIXYFXJSBSITB-GOSISDBHSA-N	1	0	355.438	1.632	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)CC1	ZINC000928658986	1001614595	/nfs/dbraw/zinc/61/45/95/1001614595.db2.gz	AOXPHUWLXNKOQU-KRWDZBQOSA-N	1	0	371.456	1.892	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)CC1	ZINC000928723472	1001637950	/nfs/dbraw/zinc/63/79/50/1001637950.db2.gz	VAJIQLNKGPQRAV-SFHVURJKSA-N	1	0	370.501	1.384	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)c1cccnc1	ZINC000928829271	1001676388	/nfs/dbraw/zinc/67/63/88/1001676388.db2.gz	CBWYRNFWMUOXDJ-GOSISDBHSA-N	1	0	365.437	1.492	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H](CC)c1ccc(OC)cc1)C1CC[NH+](C)CC1	ZINC000929215106	1001821856	/nfs/dbraw/zinc/82/18/56/1001821856.db2.gz	BKFVTUKKVRQBEH-IBGZPJMESA-N	1	0	371.481	1.819	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)N3CCO[C@@](C)(C#N)C3)cc2)CC1	ZINC000929348919	1001957617	/nfs/dbraw/zinc/95/76/17/1001957617.db2.gz	XPPNZBKUMMATKK-IBGZPJMESA-N	1	0	357.458	1.975	20	30		FDEDRO
C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000075674196	1002000029	/nfs/dbraw/zinc/00/00/29/1002000029.db2.gz	CMASZLSMBJSFRB-MRXNPFEDSA-N	1	0	361.358	1.749	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1C#N	ZINC000929403874	1002009205	/nfs/dbraw/zinc/00/92/05/1002009205.db2.gz	KNVOZZDWKSGBPV-HOTGVXAUSA-N	1	0	370.497	1.967	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1	ZINC000929418503	1002030399	/nfs/dbraw/zinc/03/03/99/1002030399.db2.gz	PBMQYZMLVYKDNW-UHFFFAOYSA-N	1	0	373.482	1.819	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1	ZINC000965936873	1016559483	/nfs/dbraw/zinc/55/94/83/1016559483.db2.gz	MVEYDBGYXIGXNU-BDXSIMOUSA-N	1	0	363.502	1.559	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)C1	ZINC000948205374	1002176514	/nfs/dbraw/zinc/17/65/14/1002176514.db2.gz	SVCMNJIAHZCUGX-QGPMSJSTSA-N	1	0	371.485	1.441	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1	ZINC000948413995	1002315843	/nfs/dbraw/zinc/31/58/43/1002315843.db2.gz	SVAMEQCTTQXPCE-NXHRZFHOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1ccc(C)c(OC)c1)C1CC[NH+](C)CC1	ZINC000929674981	1002332009	/nfs/dbraw/zinc/33/20/09/1002332009.db2.gz	YSTMNWUZNZPUPK-UHFFFAOYSA-N	1	0	357.454	1.176	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)Cc3ccc(C)o3)C[C@H]2C)CC1	ZINC000948472623	1002379460	/nfs/dbraw/zinc/37/94/60/1002379460.db2.gz	UKPLDSKFFXZWCW-DNVCBOLYSA-N	1	0	371.481	1.439	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCC(C)(C)c1ccccc1F)C1CC[NH+](C)CC1	ZINC000929921532	1002599301	/nfs/dbraw/zinc/59/93/01/1002599301.db2.gz	UDCPJROPWANBGK-UHFFFAOYSA-N	1	0	373.472	1.776	20	30		FDEDRO
CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)CC1	ZINC000948778966	1002669296	/nfs/dbraw/zinc/66/92/96/1002669296.db2.gz	GYSUZGGIGRRMQB-WQVCFCJDSA-N	1	0	360.483	1.554	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CCN2CCCC2=O)CC1	ZINC000948785419	1002689055	/nfs/dbraw/zinc/68/90/55/1002689055.db2.gz	JEDLQXVFEATBKA-KSZLIROESA-N	1	0	363.502	1.513	20	30		FDEDRO
CN(C)c1ccc([C@H](CNC(=O)C(=O)NCCCCC#N)[NH+](C)C)cc1	ZINC000929988191	1002704782	/nfs/dbraw/zinc/70/47/82/1002704782.db2.gz	XFKUXCFNAHTQCV-KRWDZBQOSA-N	1	0	359.474	1.282	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccc(OCCC(=O)OC)cc2)CC1	ZINC000930044379	1002759855	/nfs/dbraw/zinc/75/98/55/1002759855.db2.gz	ZHPLOYGVZVDRTH-UHFFFAOYSA-N	1	0	359.426	1.848	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C	ZINC000930126177	1002849863	/nfs/dbraw/zinc/84/98/63/1002849863.db2.gz	LSUVWTVZEQRRCX-UHFFFAOYSA-N	1	0	361.486	1.914	20	30		FDEDRO
C#CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1	ZINC000948958488	1002874985	/nfs/dbraw/zinc/87/49/85/1002874985.db2.gz	NGZAHLLTGUJRPR-ZIFCJYIRSA-N	1	0	353.466	1.627	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H](C)c1csc(CC)n1)C1CC[NH+](C)CC1	ZINC000930150903	1002881090	/nfs/dbraw/zinc/88/10/90/1002881090.db2.gz	QEOPUXVWPBSZFR-CYBMUJFWSA-N	1	0	362.499	1.439	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H]1CSc2ccccc21)C1CC[NH+](C)CC1	ZINC000930154849	1002887109	/nfs/dbraw/zinc/88/71/09/1002887109.db2.gz	MGLIGUOFDAAOCV-MRXNPFEDSA-N	1	0	357.479	1.506	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1	ZINC000966001490	1016689625	/nfs/dbraw/zinc/68/96/25/1016689625.db2.gz	ZXWLQMWPZHBCFR-OWSLCNJRSA-N	1	0	365.518	1.805	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccc(N3CCOCC3)c(F)c2)CC1	ZINC000930177419	1002909891	/nfs/dbraw/zinc/90/98/91/1002909891.db2.gz	LLCYJWONLDPLLC-UHFFFAOYSA-N	1	0	360.433	1.881	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C)cc1	ZINC000948998716	1002916061	/nfs/dbraw/zinc/91/60/61/1002916061.db2.gz	QRGHLJPIZQVIFV-OXQOHEQNSA-N	1	0	367.493	1.977	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@H]2C)nc1	ZINC000949017545	1002935277	/nfs/dbraw/zinc/93/52/77/1002935277.db2.gz	KURGRTMTPRIPJZ-ATZDWAIDSA-N	1	0	368.481	1.512	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1	ZINC000949080014	1002973392	/nfs/dbraw/zinc/97/33/92/1002973392.db2.gz	UKRMFJFDQRMMPT-MSOLQXFVSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1	ZINC000949219701	1003116294	/nfs/dbraw/zinc/11/62/94/1003116294.db2.gz	FVIVCUYFIAXYQW-FGTMMUONSA-N	1	0	365.518	1.519	20	30		FDEDRO
C=C(C)CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)CC2)C1	ZINC000949369925	1003266112	/nfs/dbraw/zinc/26/61/12/1003266112.db2.gz	HAHPQCADWSEXBX-IAGOWNOFSA-N	1	0	363.502	1.561	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C1CC[NH+](C)CC1	ZINC000930569196	1003278325	/nfs/dbraw/zinc/27/83/25/1003278325.db2.gz	BRCMGPABNGMYRN-KSZLIROESA-N	1	0	373.497	1.006	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[N@H+]2C[C@H](C(=O)OCC)C3(COC3)C2)cc1	ZINC000930599128	1003312649	/nfs/dbraw/zinc/31/26/49/1003312649.db2.gz	WPFLLZWEWYECEL-QGZVFWFLSA-N	1	0	356.422	1.508	20	30		FDEDRO
C#C[C@@](C)(CC)[NH2+]C[C@@H](O)COc1cn(-c2ccccc2)nc1C(=O)OC	ZINC000930601183	1003313818	/nfs/dbraw/zinc/31/38/18/1003313818.db2.gz	QQSPQAUFPGQHIO-UZLBHIALSA-N	1	0	371.437	1.790	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(CC1)C[N@H+](C[C@H](C)O)CCO2	ZINC000949490050	1003392291	/nfs/dbraw/zinc/39/22/91/1003392291.db2.gz	ZFESGFSDYFLMIN-BZSNNMDCSA-N	1	0	366.502	1.432	20	30		FDEDRO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC12CC[NH+](C)CC2	ZINC000930859955	1003596100	/nfs/dbraw/zinc/59/61/00/1003596100.db2.gz	HZRYDQOZILGHCQ-SFHVURJKSA-N	1	0	355.482	1.987	20	30		FDEDRO
C=CC[N@H+](C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)[C@H](C)COC	ZINC000930931809	1003673821	/nfs/dbraw/zinc/67/38/21/1003673821.db2.gz	BRLFYHLYIGAFBM-HUUCEWRRSA-N	1	0	362.536	1.511	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(O)(Cc2ccccn2)CC1	ZINC000930988736	1003745998	/nfs/dbraw/zinc/74/59/98/1003745998.db2.gz	OTSLMSIWELOAAS-IBGZPJMESA-N	1	0	367.449	1.763	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3ccc(F)cc3)C2)CC1	ZINC000949864812	1003758823	/nfs/dbraw/zinc/75/88/23/1003758823.db2.gz	KWHXFQUAJJTNMJ-DNVCBOLYSA-N	1	0	371.456	1.748	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3cc(C)oc3C)C2)CC1	ZINC000949864872	1003758972	/nfs/dbraw/zinc/75/89/72/1003758972.db2.gz	MFXCSTFNBUBDPQ-AUUYWEPGSA-N	1	0	371.481	1.818	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H](C)n3cccc3)C2)CC1	ZINC000949864817	1003759432	/nfs/dbraw/zinc/75/94/32/1003759432.db2.gz	LCEPMEXADLNIHU-ZHALLVOQSA-N	1	0	370.497	1.357	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)cc1C#N	ZINC000931003776	1003761066	/nfs/dbraw/zinc/76/10/66/1003761066.db2.gz	BASUKJBIRDYTFV-INIZCTEOSA-N	1	0	356.470	1.720	20	30		FDEDRO
C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCc1cc(C#N)ccc1F	ZINC000931004557	1003762612	/nfs/dbraw/zinc/76/26/12/1003762612.db2.gz	MIQWIPVIRWWNNB-CQSZACIVSA-N	1	0	360.433	1.550	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H]1CCc2ccc(O)cc21)C1CC[NH+](C)CC1	ZINC000931005546	1003764090	/nfs/dbraw/zinc/76/40/90/1003764090.db2.gz	KAXZBWNPCOFUTJ-SFHVURJKSA-N	1	0	355.438	1.052	20	30		FDEDRO
Cn1cc(C2=NC[C@H](C[NH2+]C3(c4cccc(C#N)c4)CCOCC3)O2)cn1	ZINC000931018903	1003779885	/nfs/dbraw/zinc/77/98/85/1003779885.db2.gz	MONOBPUNSSAHTF-GOSISDBHSA-N	1	0	365.437	1.733	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1	ZINC000931103936	1003889489	/nfs/dbraw/zinc/88/94/89/1003889489.db2.gz	RVXQKUIUSOKWHA-MRXNPFEDSA-N	1	0	351.491	1.465	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)CC1	ZINC000931417609	1004140786	/nfs/dbraw/zinc/14/07/86/1004140786.db2.gz	MBYGRVYSKREJEI-UHFFFAOYSA-N	1	0	362.817	1.890	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(O)(C[NH+](C)C)CC1	ZINC000931484647	1004201180	/nfs/dbraw/zinc/20/11/80/1004201180.db2.gz	OONIGUVIZBFKBZ-KRWDZBQOSA-N	1	0	358.486	1.710	20	30		FDEDRO
C#CCC1(O)CC[NH+](C[C@H](O)CC2(O)CCC(C(=O)OCC)CC2)CC1	ZINC000931700153	1004426115	/nfs/dbraw/zinc/42/61/15/1004426115.db2.gz	LGEYGYQVRAZNRD-OHTSDLOESA-N	1	0	367.486	1.072	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2c(C(=O)OCC)nc3ccccn32)CC1	ZINC000931773104	1004484528	/nfs/dbraw/zinc/48/45/28/1004484528.db2.gz	NTFUIJVUCBMZSI-UHFFFAOYSA-N	1	0	369.425	1.730	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)c(C#N)cn1CC	ZINC000931783271	1004490307	/nfs/dbraw/zinc/49/03/07/1004490307.db2.gz	WBTJOPQHSSJHSS-GXTWGEPZSA-N	1	0	359.430	1.724	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H]1CN(CC(=O)NC2(C#N)CCC2)CC1(C)C	ZINC000931992181	1004681838	/nfs/dbraw/zinc/68/18/38/1004681838.db2.gz	PVBSBWFVCPAHNA-CYBMUJFWSA-N	1	0	350.463	1.784	20	30		FDEDRO
C[C@]1([C@H]2CCC[N@@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)COC(=O)N1	ZINC000932025090	1004715551	/nfs/dbraw/zinc/71/55/51/1004715551.db2.gz	WOXXMEVIOMNCCI-XAUMDUMWSA-N	1	0	368.437	1.874	20	30		FDEDRO
C#CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)C1	ZINC000932047570	1004734295	/nfs/dbraw/zinc/73/42/95/1004734295.db2.gz	IFECPNDTRPNEEQ-AEFFLSMTSA-N	1	0	356.470	1.453	20	30		FDEDRO
C[C@@]1(C2CC[NH+](C[C@@H](O)CC3(C#N)CCOCC3)CC2)COC(=O)N1	ZINC000932102877	1004771465	/nfs/dbraw/zinc/77/14/65/1004771465.db2.gz	PRGBVIJNTUYHQV-RDJZCZTQSA-N	1	0	351.447	1.268	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2=O)CC1	ZINC000932142941	1004791999	/nfs/dbraw/zinc/79/19/99/1004791999.db2.gz	JVXNYKBZIORBPY-AWEZNQCLSA-N	1	0	361.408	1.944	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2cccc(CN3CCOCC3)n2)CC1	ZINC000932164689	1004803314	/nfs/dbraw/zinc/80/33/14/1004803314.db2.gz	ZHRWYGYRKBUFQQ-UHFFFAOYSA-N	1	0	357.458	1.133	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1C#N	ZINC000932475689	1004978714	/nfs/dbraw/zinc/97/87/14/1004978714.db2.gz	RIMFTCQXYKGRRF-KRWDZBQOSA-N	1	0	354.454	1.427	20	30		FDEDRO
COc1ncc(NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)cc1C#N	ZINC000932515449	1004997476	/nfs/dbraw/zinc/99/74/76/1004997476.db2.gz	CEYPHXMQIGWHOJ-ZDUSSCGKSA-N	1	0	359.430	1.679	20	30		FDEDRO
N#CCCc1ccc(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1	ZINC000932578374	1005022046	/nfs/dbraw/zinc/02/20/46/1005022046.db2.gz	QLXJDCBMNWCUID-UHFFFAOYSA-N	1	0	369.469	1.915	20	30		FDEDRO
C=C(Cl)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2	ZINC001111036934	1005085055	/nfs/dbraw/zinc/08/50/55/1005085055.db2.gz	ARKMYTGTSBSPDD-HZMVEIRTSA-N	1	0	355.910	1.961	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)N[C@@H](C)CN3CC[NH+](C)CC3)cc21	ZINC000933065965	1005340169	/nfs/dbraw/zinc/34/01/69/1005340169.db2.gz	MHWCQGLZVHNELP-HNNXBMFYSA-N	1	0	356.474	1.980	20	30		FDEDRO
COCCCS(=O)(=O)NCC[NH+]1CCC(c2ccc(C#N)cc2)CC1	ZINC000933613474	1005589021	/nfs/dbraw/zinc/58/90/21/1005589021.db2.gz	YSOWGCLJMCBZHN-UHFFFAOYSA-N	1	0	365.499	1.694	20	30		FDEDRO
CN1c2cc(NC(=O)NCC#CC[NH+](C)C)ccc2OCC(C)(C)C1=O	ZINC000933615669	1005589300	/nfs/dbraw/zinc/58/93/00/1005589300.db2.gz	GTRFJGYTPCSFSS-UHFFFAOYSA-N	1	0	358.442	1.755	20	30		FDEDRO
CN(C[C@](C)(O)C[NH+]1CCC2(CC1)CC(=O)C=CO2)C(=O)OC(C)(C)C	ZINC000933648071	1005598195	/nfs/dbraw/zinc/59/81/95/1005598195.db2.gz	RKOHAWWVOZUKGM-SFHVURJKSA-N	1	0	368.474	1.942	20	30		FDEDRO
C=CCn1cc2ccc(NC(=O)N[C@@H](C)CN3CC[NH+](C)CC3)cc2n1	ZINC000933685425	1005608368	/nfs/dbraw/zinc/60/83/68/1005608368.db2.gz	DKPHRZXWKMXQBU-HNNXBMFYSA-N	1	0	356.474	1.980	20	30		FDEDRO
CCOC(=O)N1CCN(C(=O)CN(C)Cc2cc(C#N)cs2)CC1	ZINC000933778790	1005634262	/nfs/dbraw/zinc/63/42/62/1005634262.db2.gz	RQCCJWXBBQFFQW-UHFFFAOYSA-N	1	0	350.444	1.352	20	30		FDEDRO
CCOC(=O)C1([C@@H](C)[NH2+]CC(=O)N(CC)C[C@@H](C)C#N)CCOCC1	ZINC000933883389	1005653935	/nfs/dbraw/zinc/65/39/35/1005653935.db2.gz	YRMJIUFEPQNCPC-LSDHHAIUSA-N	1	0	353.463	1.333	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@H]4[C@H]3CCCN4CCO)C2=O)cc1	ZINC000934265313	1005725845	/nfs/dbraw/zinc/72/58/45/1005725845.db2.gz	KWTUBFWPUDRFCK-ZCNNSNEGSA-N	1	0	368.481	1.585	20	30		FDEDRO
C=C(C)C[N@@H+](C)CC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O	ZINC000778232423	1005727741	/nfs/dbraw/zinc/72/77/41/1005727741.db2.gz	XDGIUPGVRMICKV-DHDCSXOGSA-N	1	0	374.466	1.742	20	30		FDEDRO
CCOC(=O)N1CCC([C@@H](C)[NH2+]CC(=O)N(CCC#N)CCC#N)CC1	ZINC000778236760	1005733993	/nfs/dbraw/zinc/73/39/93/1005733993.db2.gz	SMMNNJAMQUJWOT-OAHLLOKOSA-N	1	0	363.462	1.489	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cccn1	ZINC001111107013	1006075497	/nfs/dbraw/zinc/07/54/97/1006075497.db2.gz	FJHKNUGUWMHGSG-BDXSIMOUSA-N	1	0	359.474	1.076	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCOC	ZINC001111120846	1006298353	/nfs/dbraw/zinc/29/83/53/1006298353.db2.gz	DMFNMMSPYOBONM-LFDJNIOPSA-N	1	0	366.502	1.742	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nc(CC)oc1C)C2	ZINC001111132234	1006357869	/nfs/dbraw/zinc/35/78/69/1006357869.db2.gz	QKVUFOXSMOGFRH-NGFQHRJXSA-N	1	0	358.442	1.018	20	30		FDEDRO
C=CCn1cc(CNC(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)nn1	ZINC000638362829	1006475274	/nfs/dbraw/zinc/47/52/74/1006475274.db2.gz	LKHUSEIZLFHFFI-UHFFFAOYSA-N	1	0	368.485	1.464	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)CC[N@@H+]1C	ZINC000967015854	1017058726	/nfs/dbraw/zinc/05/87/26/1017058726.db2.gz	GZSJUXYLXDOELF-XYPHTWIQSA-N	1	0	371.485	1.583	20	30		FDEDRO
CCN(CCC#N)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1F)C2	ZINC001111180677	1006666939	/nfs/dbraw/zinc/66/69/39/1006666939.db2.gz	IEPFSECOPPRZGJ-BMFZPTHFSA-N	1	0	373.432	1.318	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC(N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nc1	ZINC000954413278	1006752596	/nfs/dbraw/zinc/75/25/96/1006752596.db2.gz	XKSFYACGHWLODI-FUHWJXTLSA-N	1	0	354.454	1.076	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCC(=O)NC1=O)C2	ZINC001111238284	1007022737	/nfs/dbraw/zinc/02/27/37/1007022737.db2.gz	SWPURFVSESCVFM-OAGGEKHMSA-N	1	0	362.474	1.396	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1	ZINC001114600337	1007300665	/nfs/dbraw/zinc/30/06/65/1007300665.db2.gz	VDKDCEZKUNOQQY-QGLKVJOYSA-N	1	0	367.493	1.552	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3ccnc3)cn1)C2	ZINC001111271356	1007448641	/nfs/dbraw/zinc/44/86/41/1007448641.db2.gz	OPCMMUNCZBIROV-LZQZEXGQSA-N	1	0	367.453	1.805	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21	ZINC000640098398	1007763736	/nfs/dbraw/zinc/76/37/36/1007763736.db2.gz	DNEGPYINCUKPQT-OTWHNJEPSA-N	1	0	352.434	1.911	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000957132925	1007771155	/nfs/dbraw/zinc/77/11/55/1007771155.db2.gz	LGZPEMJTXXKEHN-QINHECLXSA-N	1	0	358.486	1.735	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]2COC[C@@H]21)C(C)C	ZINC000643331140	1008036804	/nfs/dbraw/zinc/03/68/04/1008036804.db2.gz	OEOFFRZRPDMYLT-SQNIBIBYSA-N	1	0	363.502	1.439	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1	ZINC000956500641	1008182941	/nfs/dbraw/zinc/18/29/41/1008182941.db2.gz	HVODQVPBIIYANT-ZACQAIPSSA-N	1	0	363.502	1.559	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC000957364253	1008225965	/nfs/dbraw/zinc/22/59/65/1008225965.db2.gz	OUGGNTNPPQXHBE-SJKOYZFVSA-N	1	0	362.393	1.425	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C	ZINC000957497815	1008338611	/nfs/dbraw/zinc/33/86/11/1008338611.db2.gz	PQVAGJXTRNEOEE-JFIYKMOQSA-N	1	0	360.502	1.837	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1	ZINC000949936293	1008537452	/nfs/dbraw/zinc/53/74/52/1008537452.db2.gz	BJCJILJHWBVVKJ-IIDMSEBBSA-N	1	0	371.485	1.441	20	30		FDEDRO
C=CCn1cc(C(=O)N(Cc2ccncc2)C[C@H]2CCC[N@H+]2CC)nn1	ZINC000648777783	1008612960	/nfs/dbraw/zinc/61/29/60/1008612960.db2.gz	VXJWNCTYKGFRBZ-QGZVFWFLSA-N	1	0	354.458	1.986	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc(C(F)(F)F)n1	ZINC000190974252	1008786922	/nfs/dbraw/zinc/78/69/22/1008786922.db2.gz	ZECNADVQJJNLEJ-UHFFFAOYSA-N	1	0	371.363	1.733	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)Cc3occc3C)C[C@H]2C)CC1	ZINC000958687852	1008962633	/nfs/dbraw/zinc/96/26/33/1008962633.db2.gz	OHSXTVSJEKGKLN-SJLPKXTDSA-N	1	0	371.481	1.439	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)OC3(CCCC3)C2)CC1	ZINC000647028702	1009402575	/nfs/dbraw/zinc/40/25/75/1009402575.db2.gz	CXUGVLCCLXBAOH-INIZCTEOSA-N	1	0	363.502	1.703	20	30		FDEDRO
COc1cccc(NC(=[NH2+])NCCCN2CCN(c3ncccn3)CC2)c1	ZINC000303768306	1009572408	/nfs/dbraw/zinc/57/24/08/1009572408.db2.gz	AGKXVQINQJCKMI-UHFFFAOYSA-N	1	0	369.473	1.424	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C(N)=O)cc1	ZINC000960136273	1009572871	/nfs/dbraw/zinc/57/28/71/1009572871.db2.gz	QUWIBSWNKITQJN-OTWHNJEPSA-N	1	0	371.481	1.847	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCCc2nnc3ccccn32)cc1OC	ZINC000303771998	1009574729	/nfs/dbraw/zinc/57/47/29/1009574729.db2.gz	DFVVFTJGMQSBTB-UHFFFAOYSA-N	1	0	368.441	1.436	20	30		FDEDRO
CCC[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCC(Nc2cnc(C#N)cn2)CC1	ZINC001111322493	1009591163	/nfs/dbraw/zinc/59/11/63/1009591163.db2.gz	MRZQNJPKXMDKRB-RHSMWYFYSA-N	1	0	356.474	1.777	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH+]1CCC(Nc2ccc(C#N)nc2)CC1	ZINC001111321281	1009597993	/nfs/dbraw/zinc/59/79/93/1009597993.db2.gz	FSGXHORLIMQKRX-MOPGFXCFSA-N	1	0	369.469	1.537	20	30		FDEDRO
N#Cc1cnccc1NC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2C2CC2)CC1	ZINC001111323668	1009615091	/nfs/dbraw/zinc/61/50/91/1009615091.db2.gz	PAILELPAKNQAFR-ZWKOTPCHSA-N	1	0	353.470	1.414	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@@H](O)c2ccc(F)cc2)CC1	ZINC000303911884	1009689995	/nfs/dbraw/zinc/68/99/95/1009689995.db2.gz	ZWOXUCQOILHFAH-OAHLLOKOSA-N	1	0	366.437	1.727	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CS(=O)(=O)N(C)C)C2	ZINC001111334360	1009918563	/nfs/dbraw/zinc/91/85/63/1009918563.db2.gz	XURLEWLOHMFKSV-OAGGEKHMSA-N	1	0	359.536	1.570	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C)cc2)C[C@H]1C	ZINC000959612408	1010115421	/nfs/dbraw/zinc/11/54/21/1010115421.db2.gz	KACRZBPTLYLUSD-QRQLOZEOSA-N	1	0	353.466	1.669	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@H]2C)cn1	ZINC000959653359	1010351529	/nfs/dbraw/zinc/35/15/29/1010351529.db2.gz	PSIGRQVVFPIYCB-RVKKMQEKSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C	ZINC000959653552	1010353586	/nfs/dbraw/zinc/35/35/86/1010353586.db2.gz	SSYXAFUVSSTFHO-BRWVUGGUSA-N	1	0	358.486	1.735	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@H]2C)nc1	ZINC000959653788	1010356536	/nfs/dbraw/zinc/35/65/36/1010356536.db2.gz	YREGSZDFOTYZTM-IIDMSEBBSA-N	1	0	354.454	1.124	20	30		FDEDRO
N#CCn1c(CN2CCN(c3cc[nH+]cc3)CC2)nc2ccccc2c1=O	ZINC000779632365	1010503332	/nfs/dbraw/zinc/50/33/32/1010503332.db2.gz	HHHJOAQJMHPUJO-UHFFFAOYSA-N	1	0	360.421	1.637	20	30		FDEDRO
CCOc1ccc([C@H](C)NC(=O)CCCNC(=[NH2+])N2CCOCC2)cc1	ZINC000304934177	1010620112	/nfs/dbraw/zinc/62/01/12/1010620112.db2.gz	GSRDLYYIEKSWPM-HNNXBMFYSA-N	1	0	362.474	1.690	20	30		FDEDRO
CC(C)N1CCO[C@@H](C(=[NH2+])NOCc2nnc(-c3ccc(C#N)cc3)o2)C1	ZINC000779654250	1010660947	/nfs/dbraw/zinc/66/09/47/1010660947.db2.gz	NVBVOXOCRXPKCI-OAHLLOKOSA-N	1	0	370.413	1.716	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)Cc1ccccc1)C2	ZINC001111363198	1010720914	/nfs/dbraw/zinc/72/09/14/1010720914.db2.gz	CPGYSCKCMXKWRV-QRVBRYPASA-N	1	0	371.481	1.269	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1	ZINC000951338463	1010736857	/nfs/dbraw/zinc/73/68/57/1010736857.db2.gz	YYSPXNDYFOLDIH-RCCFBDPRSA-N	1	0	359.514	1.731	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000951348165	1010760533	/nfs/dbraw/zinc/76/05/33/1010760533.db2.gz	REMBGCFZHZERPJ-NXHRZFHOSA-N	1	0	368.437	1.646	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCC[C@@](CO)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001111373975	1010844306	/nfs/dbraw/zinc/84/43/06/1010844306.db2.gz	VZTGBTVZPQKUQE-WRWLIDTKSA-N	1	0	371.485	1.049	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1	ZINC000951531173	1010920931	/nfs/dbraw/zinc/92/09/31/1010920931.db2.gz	FQTBHOVJYHMAOO-BBWFWOEESA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CNC(N)=O)cc1)C2	ZINC001111380004	1010935984	/nfs/dbraw/zinc/93/59/84/1010935984.db2.gz	QAJQFZZASPSUEY-KURKYZTESA-N	1	0	372.469	1.393	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CCNC(=O)CC2)CC1	ZINC000951594784	1010957589	/nfs/dbraw/zinc/95/75/89/1010957589.db2.gz	JDESKBSHGOKWEU-LNLFQRSKSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(-n3cnnn3)c1)C2	ZINC001111381657	1010980822	/nfs/dbraw/zinc/98/08/22/1010980822.db2.gz	WCIXCVHFAYLEFL-NXHRZFHOSA-N	1	0	352.442	1.964	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2cnnn2CC)C1	ZINC000962402202	1011231133	/nfs/dbraw/zinc/23/11/33/1011231133.db2.gz	UTLDQSCWDBUSLS-RLNQZENFSA-N	1	0	361.490	1.654	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2CC(C)C)CC1	ZINC000952180414	1011398874	/nfs/dbraw/zinc/39/88/74/1011398874.db2.gz	PQSWCQBBBIDODG-GUDVDZBRSA-N	1	0	359.514	1.731	20	30		FDEDRO
C[N@@H+]1C[C@H](C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)[C@@H](c2ccccc2)C1	ZINC000952216552	1011498964	/nfs/dbraw/zinc/49/89/64/1011498964.db2.gz	NYYMNWWKYKYKQS-AQNXPRMDSA-N	1	0	365.477	1.462	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cccc(C#N)c1	ZINC000960872154	1011581609	/nfs/dbraw/zinc/58/16/09/1011581609.db2.gz	YKUNUYSKMCZGHM-OTWHNJEPSA-N	1	0	368.481	1.705	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cccc(C(N)=O)c1	ZINC000960882583	1011613893	/nfs/dbraw/zinc/61/38/93/1011613893.db2.gz	JEAZUHPOEMCAHC-OTWHNJEPSA-N	1	0	371.481	1.799	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1cncn1C	ZINC000952785824	1012033581	/nfs/dbraw/zinc/03/35/81/1012033581.db2.gz	SZGKJNYEVZTMNB-IBEHDNSVSA-N	1	0	355.442	1.275	20	30		FDEDRO
N#Cc1cc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)ccc1F	ZINC000961271435	1012157974	/nfs/dbraw/zinc/15/79/74/1012157974.db2.gz	WNHVQKQBPBXNDJ-NSJLZPGHSA-N	1	0	367.424	1.667	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)c1	ZINC000961318048	1012231220	/nfs/dbraw/zinc/23/12/20/1012231220.db2.gz	GZNCYUNDONKDCK-IPJCAIGPSA-N	1	0	367.449	1.156	20	30		FDEDRO
O=C(N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC000961326932	1012248179	/nfs/dbraw/zinc/24/81/79/1012248179.db2.gz	XBHMCWACQQIZTR-POHNSKBLSA-N	1	0	366.461	1.136	20	30		FDEDRO
CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)CC2)C1	ZINC000961406202	1012339841	/nfs/dbraw/zinc/33/98/41/1012339841.db2.gz	PVVXBMFNMLJZDE-OTWHNJEPSA-N	1	0	359.514	1.685	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@@H]2C[C@H]2CC)CC1	ZINC000963589236	1012442585	/nfs/dbraw/zinc/44/25/85/1012442585.db2.gz	DKMYSRQLQONHBA-RSPOEFSDSA-N	1	0	371.525	1.970	20	30		FDEDRO
CC[C@@H](C)C(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#Cc1ccccc1	ZINC001111417035	1012447000	/nfs/dbraw/zinc/44/70/00/1012447000.db2.gz	WKLPLGFNGWDSAQ-AFYVEPGGSA-N	1	0	367.493	1.922	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1C[NH+](C[C@H]2CCNC(=O)CC2)C1	ZINC000953831065	1012560867	/nfs/dbraw/zinc/56/08/67/1012560867.db2.gz	PSHQQYONQISBQP-AYBZRNKSSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCn1cncn1)C2	ZINC000963816146	1012730980	/nfs/dbraw/zinc/73/09/80/1012730980.db2.gz	QQRQFLBVOHCUIQ-VIIJNVHASA-N	1	0	359.474	1.276	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCC([NH2+]CCN2CCCC2=O)CC1	ZINC000963926095	1012970253	/nfs/dbraw/zinc/97/02/53/1012970253.db2.gz	CIYHQBDHLBODTH-HIEASXQVSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1	ZINC000953974218	1012993851	/nfs/dbraw/zinc/99/38/51/1012993851.db2.gz	SRXZFPWOAABVHP-BZSNNMDCSA-N	1	0	365.518	1.757	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cc(C#N)cn3C(C)(C)C)CC[C@H]21	ZINC000193171417	178150216	/nfs/dbraw/zinc/15/02/16/178150216.db2.gz	YZMDEYYWNAXITR-JKSUJKDBSA-N	1	0	371.485	1.996	20	30		FDEDRO
C[C@@H]1CCNC(=O)[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000194054077	178196722	/nfs/dbraw/zinc/19/67/22/178196722.db2.gz	RUTHONYUSPWYSU-QAPCUYQASA-N	1	0	369.469	1.300	20	30		FDEDRO
C[C@@H](NC(=O)COc1ccc(C#N)cc1)C(=O)NCC[NH+]1CCCCC1	ZINC000508704693	538936130	/nfs/dbraw/zinc/93/61/30/538936130.db2.gz	WMNLLUKLVPYAOG-OAHLLOKOSA-N	1	0	358.442	1.044	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1	ZINC000245414918	178355583	/nfs/dbraw/zinc/35/55/83/178355583.db2.gz	CVSDWIKBUFOWLL-FXAWDEMLSA-N	1	0	369.513	1.987	20	30		FDEDRO
C[C@H](OCC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1nccn1C	ZINC000512313124	538971685	/nfs/dbraw/zinc/97/16/85/538971685.db2.gz	IAMNWZVXMPORHU-INIZCTEOSA-N	1	0	369.469	1.960	20	30		FDEDRO
N#Cc1cccc(F)c1CC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000513684224	539002649	/nfs/dbraw/zinc/00/26/49/539002649.db2.gz	PJBVCLCZIAMMKX-OAQYLSRUSA-N	1	0	367.424	1.993	20	30		FDEDRO
CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000246775792	178450688	/nfs/dbraw/zinc/45/06/88/178450688.db2.gz	CGBMORMWUFEOGG-LSDHHAIUSA-N	1	0	359.478	1.299	20	30		FDEDRO
C=C(C)CN1CCC([NH2+]C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)CC1	ZINC000517024954	539342993	/nfs/dbraw/zinc/34/29/93/539342993.db2.gz	MDLVOABXSOKOKV-SFHVURJKSA-N	1	0	373.497	1.941	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1cccc(C#N)n1)C(C)C	ZINC000517563121	539371694	/nfs/dbraw/zinc/37/16/94/539371694.db2.gz	ILNNWDYTQPGDRT-MRXNPFEDSA-N	1	0	355.442	1.707	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(N2CN=NC2=O)CC1	ZINC000519177109	539474897	/nfs/dbraw/zinc/47/48/97/539474897.db2.gz	TVQHLOJBQXWVBZ-QGZVFWFLSA-N	1	0	358.442	1.789	20	30		FDEDRO
C[C@H](CCNC(=O)C(=O)NCc1ccc(CC#N)cc1)[NH+]1CCCCC1	ZINC000519646981	539495518	/nfs/dbraw/zinc/49/55/18/539495518.db2.gz	PKQIHEUNPYSWGC-MRXNPFEDSA-N	1	0	356.470	1.750	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CSc1ccc(C#N)cc1	ZINC000264040137	179019275	/nfs/dbraw/zinc/01/92/75/179019275.db2.gz	PPNQSMJWDZFLKY-QGZVFWFLSA-N	1	0	374.510	1.709	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)CCCCOc1cccc(C#N)c1	ZINC000264727496	179179786	/nfs/dbraw/zinc/17/97/86/179179786.db2.gz	HIZOQQJCORVHOK-QGZVFWFLSA-N	1	0	358.486	1.859	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1	ZINC000525863361	539690582	/nfs/dbraw/zinc/69/05/82/539690582.db2.gz	QFBPREDKTFNAQE-INIZCTEOSA-N	1	0	370.453	1.982	20	30		FDEDRO
CC1(C)C(=O)N[C@H]1C1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1	ZINC000528514033	539765118	/nfs/dbraw/zinc/76/51/18/539765118.db2.gz	IXNYYPMCOJYUSZ-WMZOPIPTSA-N	1	0	357.454	1.535	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1	ZINC000528507607	539763037	/nfs/dbraw/zinc/76/30/37/539763037.db2.gz	OEGBBDSABVJVFQ-ZNMIVQPWSA-N	1	0	358.360	1.791	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1	ZINC000528507601	539763696	/nfs/dbraw/zinc/76/36/96/539763696.db2.gz	OEGBBDSABVJVFQ-RBSFLKMASA-N	1	0	358.360	1.791	20	30		FDEDRO
CCCc1c(NC(=O)NC[C@H]2COCC[NH2+]2)cnn1-c1cccc(C#N)c1	ZINC000528691918	539773336	/nfs/dbraw/zinc/77/33/36/539773336.db2.gz	XEILUAJSEJTGIJ-HNNXBMFYSA-N	1	0	368.441	1.806	20	30		FDEDRO
COC(=O)N1CC(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000269298898	180267457	/nfs/dbraw/zinc/26/74/57/180267457.db2.gz	SSLZPYUDOYEMOP-UHFFFAOYSA-N	1	0	359.430	1.082	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)cc1	ZINC000528790340	539786015	/nfs/dbraw/zinc/78/60/15/539786015.db2.gz	WDWOUXSOLMNWLB-MAUKXSAKSA-N	1	0	354.410	1.825	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1	ZINC000269781627	180388245	/nfs/dbraw/zinc/38/82/45/180388245.db2.gz	OSALETFFLCTMOY-UHFFFAOYSA-N	1	0	367.453	1.789	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@H]3CC[NH2+]C34CCC4)CC2)c1C#N	ZINC000529349371	539824473	/nfs/dbraw/zinc/82/44/73/539824473.db2.gz	HDTFIWNRXLDHPQ-AWEZNQCLSA-N	1	0	360.487	1.439	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)N[C@H]3CC[NH2+]C34CCC4)CC2)cc1	ZINC000529369790	539827496	/nfs/dbraw/zinc/82/74/96/539827496.db2.gz	YZPOCFMTXMEMME-SFHVURJKSA-N	1	0	353.470	1.670	20	30		FDEDRO
Cn1ccnc1[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)CCO1	ZINC000530234131	539916423	/nfs/dbraw/zinc/91/64/23/539916423.db2.gz	NTZVCXSZSATPSX-NUJGCVRESA-N	1	0	356.426	1.541	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCN(C2CCCCC2)C1=O	ZINC000530230940	539915224	/nfs/dbraw/zinc/91/52/24/539915224.db2.gz	DYAWKMSSYMJFSL-MSOLQXFVSA-N	1	0	357.454	1.821	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCN(CC(F)(F)F)C1=O	ZINC000530231682	539915706	/nfs/dbraw/zinc/91/57/06/539915706.db2.gz	SOLPCUJMROHGJM-OLZOCXBDSA-N	1	0	357.332	1.051	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NC[C@H]2CCC[C@H]2NS(C)(=O)=O)cc1OC	ZINC000268113545	674084436	/nfs/dbraw/zinc/08/44/36/674084436.db2.gz	ZXRMLZJPNGQHDY-DGCLKSJQSA-N	1	0	370.475	1.148	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1	ZINC000275087698	181234723	/nfs/dbraw/zinc/23/47/23/181234723.db2.gz	GVZBGKURJPKYHT-CYBMUJFWSA-N	1	0	368.359	1.887	20	30		FDEDRO
N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@H]([C@@H]4CCOC4)C3)C2=O)cc1	ZINC000533496141	540255062	/nfs/dbraw/zinc/25/50/62/540255062.db2.gz	BGRINTILLLBGST-JZXOWHBKSA-N	1	0	353.422	1.939	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC(C)(C)c2cc(C(=O)OC)on2)CC1	ZINC000460269842	538477472	/nfs/dbraw/zinc/47/74/72/538477472.db2.gz	SEASUZUPSLQTDN-UHFFFAOYSA-N	1	0	350.419	1.646	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)nc3n[nH]c(C)c32)c1C#N	ZINC000534056956	540319264	/nfs/dbraw/zinc/31/92/64/540319264.db2.gz	PIWVIRSQAXRSJZ-UHFFFAOYSA-N	1	0	352.402	1.574	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cccnc2OCCOC)c1C#N	ZINC000534056531	540319642	/nfs/dbraw/zinc/31/96/42/540319642.db2.gz	ZYIMDJLISPKRDN-UHFFFAOYSA-N	1	0	358.402	1.106	20	30		FDEDRO
N#Cc1cnc(C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c(Cl)c1	ZINC000534130624	540327770	/nfs/dbraw/zinc/32/77/70/540327770.db2.gz	RCQAGBYGYRNSGT-HZPDHXFCSA-N	1	0	370.840	1.972	20	30		FDEDRO
COC(=O)c1cccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1C#N	ZINC000535014264	540439306	/nfs/dbraw/zinc/43/93/06/540439306.db2.gz	VATNPYNHWVIECD-UZLBHIALSA-N	1	0	370.497	1.803	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NCc1ccnc(OCC[NH+](C)C)c1	ZINC000537120319	540687992	/nfs/dbraw/zinc/68/79/92/540687992.db2.gz	IDJNRAUETFACKA-UHFFFAOYSA-N	1	0	356.426	1.912	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C	ZINC000537168950	540695282	/nfs/dbraw/zinc/69/52/82/540695282.db2.gz	AXDABKDHLIAMLI-HNNXBMFYSA-N	1	0	360.458	1.319	20	30		FDEDRO
C[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(C#N)c(F)c1	ZINC000538508088	540864427	/nfs/dbraw/zinc/86/44/27/540864427.db2.gz	WHBCTFCYVYDGJA-GFCCVEGCSA-N	1	0	354.385	1.763	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1	ZINC000538556870	540868131	/nfs/dbraw/zinc/86/81/31/540868131.db2.gz	GNMXFNWNACLYTL-WMZOPIPTSA-N	1	0	358.486	1.889	20	30		FDEDRO
C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1	ZINC000540369191	541051071	/nfs/dbraw/zinc/05/10/71/541051071.db2.gz	LMUQZHGGCNOFFQ-KRWDZBQOSA-N	1	0	359.470	1.564	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N(CCC(F)(F)F)C[C@H](O)CO)CC1	ZINC000540674568	541087221	/nfs/dbraw/zinc/08/72/21/541087221.db2.gz	IGAQHEFMMQYHNC-AWEZNQCLSA-N	1	0	367.412	1.344	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCC[N@H+](C)Cc1ccccc1	ZINC000540966851	541126041	/nfs/dbraw/zinc/12/60/41/541126041.db2.gz	ITJJIHJEZUVGBD-UHFFFAOYSA-N	1	0	369.473	1.570	20	30		FDEDRO
Cc1onc(CC(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)c1C#N	ZINC000540927085	541116200	/nfs/dbraw/zinc/11/62/00/541116200.db2.gz	CJWCJRMTSDDRGI-LJQANCHMSA-N	1	0	367.453	1.502	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1	ZINC000541208352	541169386	/nfs/dbraw/zinc/16/93/86/541169386.db2.gz	PECOAOHCTUZPEJ-CYBMUJFWSA-N	1	0	358.442	1.644	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2ccc(Cl)c(C#N)c2)CC1	ZINC000541789794	541266071	/nfs/dbraw/zinc/26/60/71/541266071.db2.gz	LYSHFFGYFMGJFQ-UHFFFAOYSA-N	1	0	362.861	1.884	20	30		FDEDRO
CC[C@H](C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[NH+](CC)CC	ZINC000276880959	181678065	/nfs/dbraw/zinc/67/80/65/181678065.db2.gz	ILTFTIRULZDONW-ZWKOTPCHSA-N	1	0	356.470	1.896	20	30		FDEDRO
COc1nccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1	ZINC000282708464	182045258	/nfs/dbraw/zinc/04/52/58/182045258.db2.gz	QQGLJRIWVLZRJK-UHFFFAOYSA-N	1	0	354.414	1.953	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)CC1	ZINC000545188465	541896487	/nfs/dbraw/zinc/89/64/87/541896487.db2.gz	YRRVEAAWDVWRFC-UHFFFAOYSA-N	1	0	356.470	1.818	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	ZINC000545295884	541928241	/nfs/dbraw/zinc/92/82/41/541928241.db2.gz	QIMNSFVITIDDLF-GOOCMWNKSA-N	1	0	356.426	1.637	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1	ZINC000545295941	541928739	/nfs/dbraw/zinc/92/87/39/541928739.db2.gz	MIHNCNFBCFUIMQ-MRXNPFEDSA-N	1	0	370.453	1.982	20	30		FDEDRO
CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)C1	ZINC000283958325	182330607	/nfs/dbraw/zinc/33/06/07/182330607.db2.gz	KTXVCLZGILXVJH-DOTOQJQBSA-N	1	0	356.470	1.926	20	30		FDEDRO
N#Cc1cccc(N2CC[NH+](CCC(=O)Nc3cc(N)ccc3F)CC2)n1	ZINC000545503419	541990095	/nfs/dbraw/zinc/99/00/95/541990095.db2.gz	XLIHAJOQKHKLBY-UHFFFAOYSA-N	1	0	368.416	1.825	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1	ZINC000545510513	541991883	/nfs/dbraw/zinc/99/18/83/541991883.db2.gz	LSTGLWAFDZHCAJ-KRWDZBQOSA-N	1	0	370.501	1.905	20	30		FDEDRO
C[N@@H+]1CC[C@@](O)(CNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1	ZINC000545883084	542037420	/nfs/dbraw/zinc/03/74/20/542037420.db2.gz	IPLKDVHDWTWVPD-LBXVMSDZSA-N	1	0	372.469	1.614	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccccc1NC1CC[NH+](C)CC1)n1cnc(C#N)n1	ZINC000545971588	542062375	/nfs/dbraw/zinc/06/23/75/542062375.db2.gz	SFXQWWADLGUJLI-ZDUSSCGKSA-N	1	0	353.430	1.856	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1	ZINC000546003743	542072404	/nfs/dbraw/zinc/07/24/04/542072404.db2.gz	YUOABXQQJXPFNJ-HNNXBMFYSA-N	1	0	358.442	1.599	20	30		FDEDRO
C[N@H+](CCC(=O)N(CCC#N)CCN1CCOCC1)C1CCCCC1	ZINC000546015446	542075158	/nfs/dbraw/zinc/07/51/58/542075158.db2.gz	KMANCLRXVJVOMX-UHFFFAOYSA-N	1	0	350.507	1.715	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(c3cccc(F)c3)C(=O)C2)CC1	ZINC000546608660	542181525	/nfs/dbraw/zinc/18/15/25/542181525.db2.gz	NJCOXOZWYQUQMT-UHFFFAOYSA-N	1	0	360.433	1.834	20	30		FDEDRO
C[C@@H]1CN(C[C@H]2CCCN2S(=O)(=O)c2ccc(C#N)o2)C[C@H](C)O1	ZINC000286672034	183125212	/nfs/dbraw/zinc/12/52/12/183125212.db2.gz	PNRISBJATMOYML-HZSPNIEDSA-N	1	0	353.444	1.414	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NCCC[NH+]1CCCCCC1	ZINC000546709385	542205680	/nfs/dbraw/zinc/20/56/80/542205680.db2.gz	NZKWLIMNOJAEBB-UHFFFAOYSA-N	1	0	358.442	1.888	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3cccc(Br)c3C#N)C[C@@H]2C1	ZINC000287357145	183272567	/nfs/dbraw/zinc/27/25/67/183272567.db2.gz	MDCYBCHBQXQLEE-PHIMTYICSA-N	1	0	370.272	1.503	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC[N@@H+](C2CC2)C1	ZINC000295985726	184120207	/nfs/dbraw/zinc/12/02/07/184120207.db2.gz	IGBPTOIBMZZGAK-ZDUSSCGKSA-N	1	0	372.473	1.391	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1	ZINC000297912120	184353736	/nfs/dbraw/zinc/35/37/36/184353736.db2.gz	PQHGURDQCSXBHE-GOSISDBHSA-N	1	0	354.454	1.461	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)Cc2ccc(C#N)cc2)[C@@H](C)C1	ZINC000298117844	184395675	/nfs/dbraw/zinc/39/56/75/184395675.db2.gz	WGMHVNLOULPMIA-MAUKXSAKSA-N	1	0	356.470	1.705	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)C[C@@H]1CCOC1	ZINC000171962535	258270226	/nfs/dbraw/zinc/27/02/26/258270226.db2.gz	REHGZYVBRHFOOH-QGZVFWFLSA-N	1	0	351.472	1.288	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN(C(=O)N(C)C)CC1)C(C)C	ZINC000548862835	542793409	/nfs/dbraw/zinc/79/34/09/542793409.db2.gz	WKCKXMYBXVDYJB-KRWDZBQOSA-N	1	0	365.522	1.694	20	30		FDEDRO
C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000549162697	542845500	/nfs/dbraw/zinc/84/55/00/542845500.db2.gz	QSXMHBPXDYRESL-CHWSQXEVSA-N	1	0	372.450	1.883	20	30		FDEDRO
C=C(C)Cn1c(C(C)C)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000549655362	542913264	/nfs/dbraw/zinc/91/32/64/542913264.db2.gz	UAAODANSQCEKSQ-UHFFFAOYSA-N	1	0	360.506	1.722	20	30		FDEDRO
Cn1c(=O)c(C#N)c(N2CCC(C[NH+]3CCCCCC3)CC2)n(C)c1=O	ZINC000052074472	136124347	/nfs/dbraw/zinc/12/43/47/136124347.db2.gz	FKNBUOPHPFQZIT-UHFFFAOYSA-N	1	0	359.474	1.048	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1	ZINC000549980737	542981416	/nfs/dbraw/zinc/98/14/16/542981416.db2.gz	YNUFMQOLWUEHOW-HZPDHXFCSA-N	1	0	351.491	1.465	20	30		FDEDRO
COCCn1nnc2c1CC[N@H+](CCC(=O)Nc1cccc(C#N)c1)C2	ZINC000550190879	543033378	/nfs/dbraw/zinc/03/33/78/543033378.db2.gz	QRTMQCLECBOERE-UHFFFAOYSA-N	1	0	354.414	1.183	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)c1	ZINC000550502850	543117101	/nfs/dbraw/zinc/11/71/01/543117101.db2.gz	UKXRNTQJLLGREU-MSOLQXFVSA-N	1	0	364.467	1.242	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNC(=O)C(=O)Nc2sccc2C#N)CC1	ZINC000550782713	543173063	/nfs/dbraw/zinc/17/30/63/543173063.db2.gz	PPPRICJCNQPARB-UHFFFAOYSA-N	1	0	364.471	1.564	20	30		FDEDRO
C[NH+](C)C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cn1)c1ccc(F)cc1	ZINC000551293177	543267149	/nfs/dbraw/zinc/26/71/49/543267149.db2.gz	JZETZLAFIROTDQ-HNNXBMFYSA-N	1	0	355.373	1.450	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2	ZINC000551684840	543321892	/nfs/dbraw/zinc/32/18/92/543321892.db2.gz	CTAGTZSZAYICJH-LJQANCHMSA-N	1	0	356.426	1.450	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)[C@H]1CCCOC1	ZINC000551980501	543395987	/nfs/dbraw/zinc/39/59/87/543395987.db2.gz	ASXOQDVHGUANCT-OALUTQOASA-N	1	0	374.460	1.645	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1	ZINC000552520220	543479807	/nfs/dbraw/zinc/47/98/07/543479807.db2.gz	MSIZALMGGNKNPS-GOEBONIOSA-N	1	0	351.516	1.497	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CCC(C#N)CC1	ZINC000552509910	543478958	/nfs/dbraw/zinc/47/89/58/543478958.db2.gz	UKVGNRJNKULHPQ-UHFFFAOYSA-N	1	0	358.442	1.005	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000552521603	543480582	/nfs/dbraw/zinc/48/05/82/543480582.db2.gz	NCAARNGRODASEQ-WBVHZDCISA-N	1	0	361.511	1.659	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)NCc2cccc(C#N)c2)CC1	ZINC000066891482	172000463	/nfs/dbraw/zinc/00/04/63/172000463.db2.gz	LARQRDPJUIMOPF-UHFFFAOYSA-N	1	0	364.453	1.704	20	30		FDEDRO
COC(=O)c1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nc1	ZINC000072022966	172041365	/nfs/dbraw/zinc/04/13/65/172041365.db2.gz	VJVSGYBXABKLBG-UHFFFAOYSA-N	1	0	366.421	1.944	20	30		FDEDRO
N#Cc1c(CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cn2ccccc12	ZINC000073605453	172064836	/nfs/dbraw/zinc/06/48/36/172064836.db2.gz	VSFNCFVDVARLLS-UHFFFAOYSA-N	1	0	365.481	1.941	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1	ZINC000075998913	172100652	/nfs/dbraw/zinc/10/06/52/172100652.db2.gz	DXVWEYBMNFIDPH-GOSISDBHSA-N	1	0	354.454	1.765	20	30		FDEDRO
CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000080821809	172177580	/nfs/dbraw/zinc/17/75/80/172177580.db2.gz	HKMNAOBNZJJWQV-UHFFFAOYSA-N	1	0	351.472	1.726	20	30		FDEDRO
CS(=O)(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccc3C#N)CC2)C1	ZINC000085791488	172219325	/nfs/dbraw/zinc/21/93/25/172219325.db2.gz	PTFURZVZUIOEBD-MRXNPFEDSA-N	1	0	362.499	1.352	20	30		FDEDRO
COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCN(S(C)(=O)=O)C1	ZINC000085789893	172219620	/nfs/dbraw/zinc/21/96/20/172219620.db2.gz	XFUUZJBQGKRJNN-SFHVURJKSA-N	1	0	365.499	1.678	20	30		FDEDRO
C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1	ZINC000091245659	172281884	/nfs/dbraw/zinc/28/18/84/172281884.db2.gz	JHDUMPOFKBVHCK-ZIAGYGMSSA-N	1	0	360.462	1.437	20	30		FDEDRO
Cn1ccnc1[C@H](O)C1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000119446181	172753563	/nfs/dbraw/zinc/75/35/63/172753563.db2.gz	CGEQTDWTJJJKAF-PKOBYXMFSA-N	1	0	370.453	1.477	20	30		FDEDRO
CC[NH+](CC)[C@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000129937125	173154986	/nfs/dbraw/zinc/15/49/86/173154986.db2.gz	WQHPXAFOFTWIGT-ZIAGYGMSSA-N	1	0	366.487	1.072	20	30		FDEDRO
CC(C)[N@H+]1C[C@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)[C@@H](C)C1	ZINC000132436229	173231773	/nfs/dbraw/zinc/23/17/73/173231773.db2.gz	DNTPXBHEYNAGTH-RDJZCZTQSA-N	1	0	356.474	1.514	20	30		FDEDRO
N#Cc1ccc(OC2CN(C(=O)NCCCC[NH+]3CCOCC3)C2)cc1	ZINC000133402854	173262978	/nfs/dbraw/zinc/26/29/78/173262978.db2.gz	NMNCHEMSZSWMJM-UHFFFAOYSA-N	1	0	358.442	1.443	20	30		FDEDRO
CCN(CC)C(=O)C[N@@H+]1CCCN(Cc2ccc(OC)c(C#N)c2)CC1	ZINC000134979941	173337027	/nfs/dbraw/zinc/33/70/27/173337027.db2.gz	CBBRDIIKDHPCOJ-UHFFFAOYSA-N	1	0	358.486	1.943	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1	ZINC000176000207	174043994	/nfs/dbraw/zinc/04/39/94/174043994.db2.gz	BXADJCKZRIANLK-AWEZNQCLSA-N	1	0	358.417	1.970	20	30		FDEDRO
CCS(=O)(=O)NCCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000181632407	174237898	/nfs/dbraw/zinc/23/78/98/174237898.db2.gz	GBOQLBMNHAAJTA-UHFFFAOYSA-N	1	0	364.515	1.442	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C)c(Br)c1	ZINC000293477741	676352254	/nfs/dbraw/zinc/35/22/54/676352254.db2.gz	VIKUHBGBDNMALC-UHFFFAOYSA-N	1	0	366.259	1.767	20	30		FDEDRO
CCc1ccc(/C=c2\sc(=C(C#N)C#N)n(C3CC[NH+](C)CC3)c2=O)o1	ZINC000177917744	258327170	/nfs/dbraw/zinc/32/71/70/258327170.db2.gz	JSMMZEMLOZIYLH-YVLHZVERSA-N	1	0	368.462	1.359	20	30		FDEDRO
C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1	ZINC000178938296	258340270	/nfs/dbraw/zinc/34/02/70/258340270.db2.gz	WLYJIIWKOGRUEW-JTQLQIEISA-N	1	0	358.261	1.551	20	30		FDEDRO
C[C@H]1CN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1CC(C)(C)O	ZINC000189938407	258387898	/nfs/dbraw/zinc/38/78/98/258387898.db2.gz	DPQIWPYFHHABKM-QFBILLFUSA-N	1	0	370.497	1.831	20	30		FDEDRO
CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccnc(C#N)c1	ZINC000192912859	258392873	/nfs/dbraw/zinc/39/28/73/258392873.db2.gz	LAIBKRGZDFUWRL-KRWDZBQOSA-N	1	0	358.442	1.833	20	30		FDEDRO
CC[C@@H]1CN([C@H]2CCN(c3sccc3C#N)C2=O)CC[N@@H+]1C[C@H](C)O	ZINC000246608752	258397568	/nfs/dbraw/zinc/39/75/68/258397568.db2.gz	XYYYPHXJNPPOAP-IMJJTQAJSA-N	1	0	362.499	1.502	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCC23CCOCC3)CC1	ZINC000553397184	543626785	/nfs/dbraw/zinc/62/67/85/543626785.db2.gz	NBFHZQBSBLUCHM-KRWDZBQOSA-N	1	0	363.502	1.609	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCc3c2cccc3OC)CC1	ZINC000553465074	543641760	/nfs/dbraw/zinc/64/17/60/543641760.db2.gz	ACPVFELMCGJDMC-SFHVURJKSA-N	1	0	371.481	1.955	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](Nc3ccccc3)C2)CC1	ZINC000553669222	543678078	/nfs/dbraw/zinc/67/80/78/543678078.db2.gz	NTZWQKPZRVJRPK-SFHVURJKSA-N	1	0	356.470	1.466	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2cn(CCCC)nc2C)CC1	ZINC000553671974	543678597	/nfs/dbraw/zinc/67/85/97/543678597.db2.gz	DRRQPMCRYLJHLM-UHFFFAOYSA-N	1	0	361.490	1.374	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(CCOC)[C@@H]2CC[C@@H](C)C2)CC1	ZINC000553671775	543678716	/nfs/dbraw/zinc/67/87/16/543678716.db2.gz	ZNVJWUXIOXDGRQ-NVXWUHKLSA-N	1	0	351.491	1.417	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)c1C#N	ZINC000555144350	543918015	/nfs/dbraw/zinc/91/80/15/543918015.db2.gz	JRTOSOCXAKNVAJ-CVEARBPZSA-N	1	0	374.514	1.782	20	30		FDEDRO
CN(C)C(=O)c1ccc(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)cc1	ZINC000555573765	543977671	/nfs/dbraw/zinc/97/76/71/543977671.db2.gz	AQUGJXQULCTZRF-GOSISDBHSA-N	1	0	353.422	1.790	20	30		FDEDRO
N#Cc1c(NC(=O)CC[N@H+]2CC[C@H](CO)[C@H](O)C2)sc2c1CCCC2	ZINC000555669759	544001032	/nfs/dbraw/zinc/00/10/32/544001032.db2.gz	KJTBSTPBEBEEIG-IUODEOHRSA-N	1	0	363.483	1.502	20	30		FDEDRO
C=CCn1c(N2CC[NH+](C[C@H]3CCOC3)CC2)nnc1[C@]1(C)CCCO1	ZINC000556444375	544145077	/nfs/dbraw/zinc/14/50/77/544145077.db2.gz	FACUMRXJGNBETO-APWZRJJASA-N	1	0	361.490	1.648	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000556692163	544176892	/nfs/dbraw/zinc/17/68/92/544176892.db2.gz	GDXWIDASPCEPEG-MOPGFXCFSA-N	1	0	364.449	1.875	20	30		FDEDRO
C[NH2+]Cc1ccc(NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1	ZINC000557052581	544239141	/nfs/dbraw/zinc/23/91/41/544239141.db2.gz	VWTQEUHEDPKMGW-UHFFFAOYSA-N	1	0	367.457	1.674	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2c2cccc(C)n2)CC1	ZINC000557731563	544337897	/nfs/dbraw/zinc/33/78/97/544337897.db2.gz	PBDOYGOCUHEELG-SFHVURJKSA-N	1	0	356.470	1.820	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CCCC(=O)NC[C@@]1(O)C[NH+]2CCC1CC2	ZINC000558031030	544375599	/nfs/dbraw/zinc/37/55/99/544375599.db2.gz	JVRHEFYMPQYIIO-HXUWFJFHSA-N	1	0	370.453	1.240	20	30		FDEDRO
COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2cccc(C#N)c2)C1	ZINC000299163798	258975761	/nfs/dbraw/zinc/97/57/61/258975761.db2.gz	MVPISNMVOJIXJO-GDBMZVCRSA-N	1	0	358.442	1.360	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1	ZINC000299164207	258975800	/nfs/dbraw/zinc/97/58/00/258975800.db2.gz	NXDQAUUTOHXHCC-SFHVURJKSA-N	1	0	354.454	1.603	20	30		FDEDRO
C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)COc2ccc(C#N)cc2)CC1	ZINC000299672259	259015263	/nfs/dbraw/zinc/01/52/63/259015263.db2.gz	YXHABQMLXPSVRL-ROUUACIJSA-N	1	0	370.497	1.954	20	30		FDEDRO
CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)c2ccc(C#N)cc2Cl)CC1	ZINC000330761240	259161779	/nfs/dbraw/zinc/16/17/79/259161779.db2.gz	MQBLWLABXDYLQD-AWEZNQCLSA-N	1	0	371.890	1.583	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000331417335	259194352	/nfs/dbraw/zinc/19/43/52/259194352.db2.gz	QWYPTGZCRIDNBK-SJORKVTESA-N	1	0	370.501	1.905	20	30		FDEDRO
CC(=O)N[C@@H](C)C1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000331683971	259212647	/nfs/dbraw/zinc/21/26/47/259212647.db2.gz	QSAGOENJJAOIIN-LIRRHRJNSA-N	1	0	354.454	1.900	20	30		FDEDRO
CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)c1cc(C#N)ccn1	ZINC000331735253	259216469	/nfs/dbraw/zinc/21/64/69/259216469.db2.gz	SPMLDCXDUMBVTP-MAUKXSAKSA-N	1	0	352.442	1.842	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000331795484	259220529	/nfs/dbraw/zinc/22/05/29/259220529.db2.gz	LCCYYAKRBCTUQF-CYBMUJFWSA-N	1	0	359.405	1.373	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1	ZINC000332096933	259241093	/nfs/dbraw/zinc/24/10/93/259241093.db2.gz	PUXMXSZEQBVCBX-MLGOLLRUSA-N	1	0	354.458	1.749	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)C[C@@H]21	ZINC000333667231	259367837	/nfs/dbraw/zinc/36/78/37/259367837.db2.gz	XNAUGJYABHYVOI-CPFNUKBASA-N	1	0	369.469	1.989	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1C#N	ZINC000333732422	259375612	/nfs/dbraw/zinc/37/56/12/259375612.db2.gz	WIHJGHIDLMCTTK-SJLPKXTDSA-N	1	0	363.483	1.774	20	30		FDEDRO
CC(C)(O)C[N@@H+]1CCCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000364153770	259723114	/nfs/dbraw/zinc/72/31/14/259723114.db2.gz	AGDMMPXFMPQTSI-SFHVURJKSA-N	1	0	356.470	1.442	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1	ZINC000367444931	260042699	/nfs/dbraw/zinc/04/26/99/260042699.db2.gz	MCJMCWLJDWUCON-HNNXBMFYSA-N	1	0	369.469	1.124	20	30		FDEDRO
N#Cc1c(NC(=O)CC[N@@H+]2CCN3CCOC[C@H]3C2)sc2c1CCCC2	ZINC000368814507	260240867	/nfs/dbraw/zinc/24/08/67/260240867.db2.gz	SSRLGYAMYUAIMQ-CQSZACIVSA-N	1	0	374.510	1.844	20	30		FDEDRO
COC(=O)c1cn([C@@H]2CCN([C@@H](C)C(=O)Nc3ccccc3C#N)C2)nn1	ZINC000368835137	260245527	/nfs/dbraw/zinc/24/55/27/260245527.db2.gz	PTGIKHLTDVJODL-GXTWGEPZSA-N	1	0	368.397	1.210	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1CCCCNC1=O	ZINC000369193211	260310652	/nfs/dbraw/zinc/31/06/52/260310652.db2.gz	KHUHKSMGDBJVGK-SFHVURJKSA-N	1	0	356.470	1.755	20	30		FDEDRO
CCC[NH+]1CCC(N2CCN(C(=O)c3ccc(C#N)c(C)n3)CC2)CC1	ZINC000369279112	260331728	/nfs/dbraw/zinc/33/17/28/260331728.db2.gz	VNXBAGXQGIOPOZ-UHFFFAOYSA-N	1	0	355.486	1.894	20	30		FDEDRO
N#Cc1cccnc1-n1cc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)cn1	ZINC000373400633	261007467	/nfs/dbraw/zinc/00/74/67/261007467.db2.gz	YTJSJMFCWWHFPR-KRWDZBQOSA-N	1	0	366.425	1.721	20	30		FDEDRO
N#Cc1cccnc1-n1cc(NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)cn1	ZINC000373400635	261007635	/nfs/dbraw/zinc/00/76/35/261007635.db2.gz	YTJSJMFCWWHFPR-QGZVFWFLSA-N	1	0	366.425	1.721	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCC[N@H+]3CC=CCC3)C2)n1	ZINC000373622474	261025295	/nfs/dbraw/zinc/02/52/95/261025295.db2.gz	JYGQFVGNAXMIMV-SFHVURJKSA-N	1	0	353.470	1.856	20	30		FDEDRO
N#Cc1cc2c(nc1N1CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC1)CCCC2	ZINC000373797086	261041658	/nfs/dbraw/zinc/04/16/58/261041658.db2.gz	ZITZYZIZYBQBLI-QGZVFWFLSA-N	1	0	374.510	1.578	20	30		FDEDRO
C[C@H]1CN(C(=O)c2c(F)cc(C#N)cc2F)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000374315890	261108905	/nfs/dbraw/zinc/10/89/05/261108905.db2.gz	GJKNSFZDESUDML-GUYCJALGSA-N	1	0	362.424	1.934	20	30		FDEDRO
Cn1ccnc1[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1	ZINC000374329482	261111751	/nfs/dbraw/zinc/11/17/51/261111751.db2.gz	LKXAMEWWOFYHNJ-LLVKDONJSA-N	1	0	357.801	1.900	20	30		FDEDRO
CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc(C#N)cn2)CC1	ZINC000375537733	261365786	/nfs/dbraw/zinc/36/57/86/261365786.db2.gz	SFFPRHJZBIMPJK-IAGOWNOFSA-N	1	0	362.499	1.867	20	30		FDEDRO
CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2sccc2C#N)C1	ZINC000375626915	261384805	/nfs/dbraw/zinc/38/48/05/261384805.db2.gz	ZOWRCIJCMJHTGV-CYBMUJFWSA-N	1	0	370.500	1.304	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1	ZINC000377209554	261744073	/nfs/dbraw/zinc/74/40/73/261744073.db2.gz	RMLBMBBNFGAVBU-MRXNPFEDSA-N	1	0	359.478	1.447	20	30		FDEDRO
C[NH+](C)CCOCCNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000409513603	262125262	/nfs/dbraw/zinc/12/52/62/262125262.db2.gz	NIVNSNKWOVWMFW-UHFFFAOYSA-N	1	0	365.377	1.434	20	30		FDEDRO
C[C@H](C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)n1cnc(C#N)n1	ZINC000409639282	262130943	/nfs/dbraw/zinc/13/09/43/262130943.db2.gz	QEJYDSRDBCILNY-QGZVFWFLSA-N	1	0	366.469	1.878	20	30		FDEDRO
C#CCCC[N@H+]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	ZINC000271051556	674302673	/nfs/dbraw/zinc/30/26/73/674302673.db2.gz	PTBYEFLZGSKRKC-UHFFFAOYSA-N	1	0	364.467	1.568	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1CCC(=O)NCCS(=O)(=O)N1CCSCC1	ZINC000328746618	676605119	/nfs/dbraw/zinc/60/51/19/676605119.db2.gz	APYNPNNTLRKVRJ-CQSZACIVSA-N	1	0	363.549	1.586	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc3c2O[C@H](C)C(=O)N3)c1C#N	ZINC000536299102	490566920	/nfs/dbraw/zinc/56/69/20/490566920.db2.gz	AZGHWTAUBDDVQZ-SNVBAGLBSA-N	1	0	368.397	1.405	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3cc(C)n(CCC#N)n3)C2)CC1	ZINC000611481361	492288858	/nfs/dbraw/zinc/28/88/58/492288858.db2.gz	JKVOVGLFRYOTKY-MRXNPFEDSA-N	1	0	359.478	1.349	20	30		FDEDRO
Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]Cc2cccc(C#N)c2)CC1	ZINC000157565356	518192215	/nfs/dbraw/zinc/19/22/15/518192215.db2.gz	OHGFYMPOXOWZBB-UHFFFAOYSA-N	1	0	373.482	1.841	20	30		FDEDRO
C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)NC(=O)NC	ZINC000008251213	518465454	/nfs/dbraw/zinc/46/54/54/518465454.db2.gz	UVOUKKJPRQMXOZ-UHFFFAOYSA-N	1	0	366.491	1.040	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC2CC[NH+](C(C)C)CC2)cc1	ZINC000017819784	518787617	/nfs/dbraw/zinc/78/76/17/518787617.db2.gz	INYFIXWCCHQDTH-UHFFFAOYSA-N	1	0	365.499	1.754	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNS(=O)(=O)CCCCC#N)c1	ZINC000068911768	521758146	/nfs/dbraw/zinc/75/81/46/521758146.db2.gz	ZQODOGGWDLOJKF-UHFFFAOYSA-N	1	0	366.487	1.091	20	30		FDEDRO
CC(C)[N@H+](CC(=O)NCC(C)(C)N1CCOCC1)Cc1ccc(C#N)cc1	ZINC000069521722	521900372	/nfs/dbraw/zinc/90/03/72/521900372.db2.gz	NGLUUXLIBHYZBI-UHFFFAOYSA-N	1	0	372.513	1.996	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)CN2CC[NH+](C[C@@H]3CCCO3)CC2)cc1	ZINC000057942032	522190160	/nfs/dbraw/zinc/19/01/60/522190160.db2.gz	VDJGHUPNGHPOND-QUCCMNQESA-N	1	0	359.470	1.289	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)CN2CC[NH+](C[C@H]3CCCO3)CC2)cc1	ZINC000057942037	522190378	/nfs/dbraw/zinc/19/03/78/522190378.db2.gz	VDJGHUPNGHPOND-UYAOXDASSA-N	1	0	359.470	1.289	20	30		FDEDRO
C[NH+]=C(NC[C@H](c1cccs1)N(C)C)N1CCN(c2ncccn2)CC1	ZINC000073447280	522530798	/nfs/dbraw/zinc/53/07/98/522530798.db2.gz	UNWKGESSINVVKN-OAHLLOKOSA-N	1	0	373.530	1.538	20	30		FDEDRO
Cc1ccccc1NC(=O)CONC(N)=C1C(=[NH2+])C2(CCCC2)N(C)C1=O	ZINC000063456411	522593345	/nfs/dbraw/zinc/59/33/45/522593345.db2.gz	DPUPEDABTPBCOJ-UHFFFAOYSA-N	1	0	371.441	1.220	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NC2CC[NH+](CC)CC2)ccc1F	ZINC000063665970	522621655	/nfs/dbraw/zinc/62/16/55/522621655.db2.gz	GRWHJBONNJJHPC-UHFFFAOYSA-N	1	0	369.462	1.504	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)NCc2ccc(C#N)cc2F)CC1	ZINC000074127889	522687198	/nfs/dbraw/zinc/68/71/98/522687198.db2.gz	RRDRJEUWXQLGAE-OAHLLOKOSA-N	1	0	361.465	1.770	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)NCc2cc(C#N)ccc2F)CC1	ZINC000074657943	522812546	/nfs/dbraw/zinc/81/25/46/522812546.db2.gz	PMQTZNBQQPCEOZ-OAHLLOKOSA-N	1	0	361.465	1.770	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCCOc3ccc(C#N)cc3)CC2)C1	ZINC000074736742	522828241	/nfs/dbraw/zinc/82/82/41/522828241.db2.gz	PRSLKUUCNVLCHM-GOSISDBHSA-N	1	0	371.485	1.358	20	30		FDEDRO
C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCCOc1ccc(C#N)cc1	ZINC000074736866	522828850	/nfs/dbraw/zinc/82/88/50/522828850.db2.gz	WCWHFCZZWYJBTB-GOSISDBHSA-N	1	0	360.458	1.689	20	30		FDEDRO
CCc1nncn1CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000074873663	522850922	/nfs/dbraw/zinc/85/09/22/522850922.db2.gz	TYMYMFSNVHUOOP-UHFFFAOYSA-N	1	0	369.473	1.486	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1	ZINC000050150377	522893646	/nfs/dbraw/zinc/89/36/46/522893646.db2.gz	UJTJTDYYFHRGEF-UHFFFAOYSA-N	1	0	358.442	1.742	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCCC[C@@H]1CN1CCOCC1	ZINC000075969018	523001643	/nfs/dbraw/zinc/00/16/43/523001643.db2.gz	PHJOBNMWFIFVNX-QZTJIDSGSA-N	1	0	362.518	1.904	20	30		FDEDRO
CC[C@@H](C)NC(=[NH2+])NCC1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000076105471	523021715	/nfs/dbraw/zinc/02/17/15/523021715.db2.gz	XMWVBBZADARGNL-CQSZACIVSA-N	1	0	352.504	1.790	20	30		FDEDRO
CCCNC(=O)[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000051580391	523037493	/nfs/dbraw/zinc/03/74/93/523037493.db2.gz	WWXWBGHRCYWPPQ-ROUUACIJSA-N	1	0	359.470	1.731	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000076241455	523053774	/nfs/dbraw/zinc/05/37/74/523053774.db2.gz	GXMYEKUVARDESE-GDBMZVCRSA-N	1	0	359.401	1.519	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1	ZINC000076255423	523056690	/nfs/dbraw/zinc/05/66/90/523056690.db2.gz	XAXZSOFUTLWENO-CQSZACIVSA-N	1	0	361.417	1.624	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C#N)ccc2OCC)CC1	ZINC000076316693	523076341	/nfs/dbraw/zinc/07/63/41/523076341.db2.gz	FLKQAHQVWVUTIT-UHFFFAOYSA-N	1	0	358.442	1.886	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H](C)Oc2ccccc2C#N)CC1	ZINC000076485629	523122660	/nfs/dbraw/zinc/12/26/60/523122660.db2.gz	KKLBYBYFDRDCRH-IRXDYDNUSA-N	1	0	358.486	1.715	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(=O)NCC)cc2)CC1	ZINC000076526123	523129408	/nfs/dbraw/zinc/12/94/08/523129408.db2.gz	YJLXGYMNKKXLTK-UHFFFAOYSA-N	1	0	358.442	1.141	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(NC(C)=O)ccc2C)CC1	ZINC000076525926	523129431	/nfs/dbraw/zinc/12/94/31/523129431.db2.gz	OXIZAVQPVTTWLB-UHFFFAOYSA-N	1	0	358.442	1.659	20	30		FDEDRO
C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1	ZINC000076601460	523146087	/nfs/dbraw/zinc/14/60/87/523146087.db2.gz	AMROBUWHJZSJFD-NSHDSACASA-N	1	0	352.341	1.309	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1	ZINC000076925789	523205381	/nfs/dbraw/zinc/20/53/81/523205381.db2.gz	GNBANQBYZDUWQB-INIZCTEOSA-N	1	0	351.472	1.221	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCC2)cc1	ZINC000052679139	523236608	/nfs/dbraw/zinc/23/66/08/523236608.db2.gz	ZLJQKNSHNFJMKL-AWEZNQCLSA-N	1	0	358.442	1.141	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1	ZINC000067327910	523392289	/nfs/dbraw/zinc/39/22/89/523392289.db2.gz	XSSJGLHJOPLQHO-UHFFFAOYSA-N	1	0	356.426	1.638	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1	ZINC000077606996	523394975	/nfs/dbraw/zinc/39/49/75/523394975.db2.gz	BYZGWRALGAIKDF-AWEZNQCLSA-N	1	0	363.483	1.365	20	30		FDEDRO
O=C(Nc1ncn(Cc2ccccc2)n1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1	ZINC000077746757	523443835	/nfs/dbraw/zinc/44/38/35/523443835.db2.gz	QMISKOXLBGYWSQ-INIZCTEOSA-N	1	0	368.441	1.611	20	30		FDEDRO
CCC[NH+]1CCC(CNC(=O)C(=O)Nc2cc(C#N)ccc2OC)CC1	ZINC000077819911	523475453	/nfs/dbraw/zinc/47/54/53/523475453.db2.gz	VYCVXXSAYUOTPY-UHFFFAOYSA-N	1	0	358.442	1.744	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1	ZINC000054205044	523592722	/nfs/dbraw/zinc/59/27/22/523592722.db2.gz	ZDLJBCXSWHZIKU-LSDHHAIUSA-N	1	0	373.457	1.441	20	30		FDEDRO
COCC[NH+]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000054429482	523637917	/nfs/dbraw/zinc/63/79/17/523637917.db2.gz	ZQYAVCPMJLQZGG-UHFFFAOYSA-N	1	0	350.850	1.804	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CNS(=O)(=O)c2cccc(C#N)c2)cc1	ZINC000055246498	523778176	/nfs/dbraw/zinc/77/81/76/523778176.db2.gz	URTPHUQQUTXPKA-UHFFFAOYSA-N	1	0	359.451	1.977	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1	ZINC000172174713	524146524	/nfs/dbraw/zinc/14/65/24/524146524.db2.gz	SBHDBSSQFVECQI-KRWDZBQOSA-N	1	0	362.518	1.965	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCN(C(=O)C#Cc3ccc4c(c3)OCO4)CC2)CCO1	ZINC000136218381	524191052	/nfs/dbraw/zinc/19/10/52/524191052.db2.gz	CPNBXJQEOJQDNZ-HNNXBMFYSA-N	1	0	356.422	1.479	20	30		FDEDRO
COC(=O)CN(C)C(=O)CC[N@@H+]1CCCN(c2ccccc2C#N)CC1	ZINC000111201628	524215477	/nfs/dbraw/zinc/21/54/77/524215477.db2.gz	VJDJOTQRGDHRCI-UHFFFAOYSA-N	1	0	358.442	1.092	20	30		FDEDRO
[NH2+]=C(NCc1cccnc1N1CCOCC1)N[C@H]1CCOc2ccccc21	ZINC000083031184	524235313	/nfs/dbraw/zinc/23/53/13/524235313.db2.gz	ZGWCPDJZVKMPPO-KRWDZBQOSA-N	1	0	367.453	1.846	20	30		FDEDRO
C=CCCC[NH+]1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1	ZINC000121430385	524256357	/nfs/dbraw/zinc/25/63/57/524256357.db2.gz	IQJUTKLLIKGANP-UHFFFAOYSA-N	1	0	351.516	1.857	20	30		FDEDRO
N#CCCCS(=O)(=O)NCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000111328027	524260209	/nfs/dbraw/zinc/26/02/09/524260209.db2.gz	IVMCWHAGVZTSQM-UHFFFAOYSA-N	1	0	350.488	1.027	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCCc1csc(-c2ccccc2)n1	ZINC000084734671	524326710	/nfs/dbraw/zinc/32/67/10/524326710.db2.gz	NYPZFQZLVVXHMT-UHFFFAOYSA-N	1	0	373.526	1.979	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000173209446	524345238	/nfs/dbraw/zinc/34/52/38/524345238.db2.gz	ZLVNQTRMOCOJQS-OAHLLOKOSA-N	1	0	357.385	1.249	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1c[nH]c(=O)c(Br)c1	ZINC000173255949	524357658	/nfs/dbraw/zinc/35/76/58/524357658.db2.gz	GNPLFLCZCYWYJX-UHFFFAOYSA-N	1	0	355.236	1.445	20	30		FDEDRO
CCC(CC)[C@@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)[NH+]1CCCC1	ZINC000086446209	524389047	/nfs/dbraw/zinc/38/90/47/524389047.db2.gz	QYRNWBUUAFRADK-MRXNPFEDSA-N	1	0	374.489	1.752	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)CC1	ZINC000173736676	524448725	/nfs/dbraw/zinc/44/87/25/524448725.db2.gz	RXVQISBVGMIOIY-FQEVSTJZSA-N	1	0	369.513	1.423	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1	ZINC000089121042	524476552	/nfs/dbraw/zinc/47/65/52/524476552.db2.gz	GLZYMTMXOANQSZ-KGLIPLIRSA-N	1	0	350.463	1.469	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CCN(C(=O)c2ccco2)CC1	ZINC000089158659	524479124	/nfs/dbraw/zinc/47/91/24/524479124.db2.gz	UNNNBZPLWYNQJZ-UAGQMJEPSA-N	1	0	374.485	1.816	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)n1	ZINC000122225285	524483324	/nfs/dbraw/zinc/48/33/24/524483324.db2.gz	FORMHUKWIMCQIT-DZGCQCFKSA-N	1	0	358.446	1.217	20	30		FDEDRO
C[C@@H]1CN(CCCNS(=O)(=O)c2ccc(C#N)cc2F)C[C@H](C)O1	ZINC000151041784	524518566	/nfs/dbraw/zinc/51/85/66/524518566.db2.gz	YNMVAVZHHMMQJN-BETUJISGSA-N	1	0	355.435	1.475	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)CNc2cccc(C#N)c2)CC1	ZINC000158805193	524530710	/nfs/dbraw/zinc/53/07/10/524530710.db2.gz	XYIOHUDDQFDROE-IBGZPJMESA-N	1	0	355.486	1.599	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(C(=O)Cc3cccc(OCC#N)c3)CC2)C1	ZINC000089828748	524531672	/nfs/dbraw/zinc/53/16/72/524531672.db2.gz	STZQYZMKZIQQFI-SFHVURJKSA-N	1	0	356.470	1.370	20	30		FDEDRO
CC(C)[NH+](CCNC(=O)C1CCN(c2cnc(C#N)cn2)CC1)C(C)C	ZINC000122439759	524536686	/nfs/dbraw/zinc/53/66/86/524536686.db2.gz	ZOWKJESHQJMHNN-UHFFFAOYSA-N	1	0	358.490	1.800	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1	ZINC000112700911	524539701	/nfs/dbraw/zinc/53/97/01/524539701.db2.gz	VYAWHZKDXWJIHL-UONOGXRCSA-N	1	0	352.479	1.261	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cc1	ZINC000151273908	524546446	/nfs/dbraw/zinc/54/64/46/524546446.db2.gz	AIOJCYSQAAYKGV-QGZVFWFLSA-N	1	0	365.499	1.563	20	30		FDEDRO
CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000122601318	524572116	/nfs/dbraw/zinc/57/21/16/524572116.db2.gz	SVNRRAXZBRJZSB-CYBMUJFWSA-N	1	0	366.443	1.961	20	30		FDEDRO
C=CCSCC[NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1	ZINC000159007275	524572511	/nfs/dbraw/zinc/57/25/11/524572511.db2.gz	NQQSHSLZNYLHQC-UHFFFAOYSA-N	1	0	358.533	1.688	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)n1	ZINC000091193921	524654504	/nfs/dbraw/zinc/65/45/04/524654504.db2.gz	QYJKBWOLGFIYNW-KGLIPLIRSA-N	1	0	360.462	1.511	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)NCc2ccc(OCC#N)cc2)CC1	ZINC000174659107	524679400	/nfs/dbraw/zinc/67/94/00/524679400.db2.gz	UGSBTFAOOJKTFJ-KRWDZBQOSA-N	1	0	373.501	1.662	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1	ZINC000151894388	524717229	/nfs/dbraw/zinc/71/72/29/524717229.db2.gz	ZOEVHQQDIHEITB-JSGCOSHPSA-N	1	0	359.401	1.518	20	30		FDEDRO
C[C@@H](CNC(=O)CCCC(=O)Nc1ccccc1C#N)CN1CCOCC1	ZINC000151928468	524728417	/nfs/dbraw/zinc/72/84/17/524728417.db2.gz	UGNMQSWVEMPFPG-INIZCTEOSA-N	1	0	372.469	1.752	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@](C)(CO)C2CCCCC2)CC1	ZINC000091581012	524731341	/nfs/dbraw/zinc/73/13/41/524731341.db2.gz	UBTLFHHJZDXLPE-ICSRJNTNSA-N	1	0	364.534	1.600	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000091590327	524732707	/nfs/dbraw/zinc/73/27/07/524732707.db2.gz	APCVPPNWXJEUKU-QYZOEREBSA-N	1	0	361.534	1.237	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C[NH+](C)C)C2)c1	ZINC000114210879	524758591	/nfs/dbraw/zinc/75/85/91/524758591.db2.gz	LHAPECQRAGAXQK-AWEZNQCLSA-N	1	0	351.472	1.175	20	30		FDEDRO
C[C@@H]1C[NH+](CCCNC(=O)NCCOc2ccc(C#N)cc2)C[C@@H](C)O1	ZINC000174856068	524764501	/nfs/dbraw/zinc/76/45/01/524764501.db2.gz	FSBHLMCGCPWWHL-HZPDHXFCSA-N	1	0	360.458	1.736	20	30		FDEDRO
CCN(CCC#N)C(=O)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1	ZINC000123997540	524877757	/nfs/dbraw/zinc/87/77/57/524877757.db2.gz	VKLLZPDYYQUFDD-UHFFFAOYSA-N	1	0	371.485	1.918	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CCN(C(C)C)C1=O)C(C)C	ZINC000114823267	524881341	/nfs/dbraw/zinc/88/13/41/524881341.db2.gz	NZVLBFJSUKLMBY-IRXDYDNUSA-N	1	0	350.507	1.994	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)CC[C@@H]2CCCC[N@@H+]2C)CC1	ZINC000092618880	524899984	/nfs/dbraw/zinc/89/99/84/524899984.db2.gz	HGZVIVCVHVGHGM-RBUKOAKNSA-N	1	0	363.550	1.485	20	30		FDEDRO
CCS(=O)(=O)NCCCNC(=[NH2+])Nc1ccccc1OC(F)(F)F	ZINC000160706663	524952898	/nfs/dbraw/zinc/95/28/98/524952898.db2.gz	SSZYVLBBCZKAFT-UHFFFAOYSA-N	1	0	368.381	1.641	20	30		FDEDRO
CCc1cc(N2CCC[C@@H]([NH2+][C@H](C(N)=O)c3ccc(C#N)cc3)C2)ncn1	ZINC000115600201	525032999	/nfs/dbraw/zinc/03/29/99/525032999.db2.gz	ZSMYSYCTGWDGLL-MJGOQNOKSA-N	1	0	364.453	1.696	20	30		FDEDRO
C[NH+]1CCN(c2cc(CN[C@@H](C(N)=O)c3ccc(C#N)cc3)ccn2)CC1	ZINC000115597164	525034231	/nfs/dbraw/zinc/03/42/31/525034231.db2.gz	GKPAFCMHOKRYOP-LJQANCHMSA-N	1	0	364.453	1.021	20	30		FDEDRO
CCc1cnc(CNC(N[C@H]2CCCN(c3ncccn3)C2)=[NH+]C)s1	ZINC000176011683	525041618	/nfs/dbraw/zinc/04/16/18/525041618.db2.gz	UNEYCARQUKDLPB-ZDUSSCGKSA-N	1	0	359.503	1.830	20	30		FDEDRO
Cc1cc(S(N)(=O)=O)cc(C(=O)N(CCC#N)CCC[NH+](C)C)c1C	ZINC000161323861	525080787	/nfs/dbraw/zinc/08/07/87/525080787.db2.gz	NHWYXCBNQIJXPD-UHFFFAOYSA-N	1	0	366.487	1.258	20	30		FDEDRO
CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000161388221	525097114	/nfs/dbraw/zinc/09/71/14/525097114.db2.gz	KDYFIAQQBSUMRC-ZIAGYGMSSA-N	1	0	366.487	1.072	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1	ZINC000161801661	525169818	/nfs/dbraw/zinc/16/98/18/525169818.db2.gz	RMBLWCIICAAQNQ-MRXNPFEDSA-N	1	0	358.486	1.890	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)=[NH+]C1CCCCC1	ZINC000162037262	525205089	/nfs/dbraw/zinc/20/50/89/525205089.db2.gz	SFGUIGIYVZKPBX-JQHSSLGASA-N	1	0	362.518	1.900	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)NCC1CCS(=O)(=O)CC1)C(C)C	ZINC000153440827	525212484	/nfs/dbraw/zinc/21/24/84/525212484.db2.gz	FVXXKCDRWVZTHL-KRWDZBQOSA-N	1	0	371.547	1.809	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c1C#N	ZINC000125605053	525218424	/nfs/dbraw/zinc/21/84/24/525218424.db2.gz	IVWRTFVCBDTANZ-LBPRGKRZSA-N	1	0	358.446	1.163	20	30		FDEDRO
CC[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N[C@@H]1CCC[C@@H](C)C1	ZINC000162548859	525276660	/nfs/dbraw/zinc/27/66/60/525276660.db2.gz	FMVWUSDZADOUEH-GDBMZVCRSA-N	1	0	358.552	1.792	20	30		FDEDRO
C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1	ZINC000117077206	525284942	/nfs/dbraw/zinc/28/49/42/525284942.db2.gz	UOIFOHNDFATIOD-GFCCVEGCSA-N	1	0	360.414	1.175	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1	ZINC000177490459	525300925	/nfs/dbraw/zinc/30/09/25/525300925.db2.gz	SFQXZXZPUQFBPX-HOTGVXAUSA-N	1	0	365.499	1.754	20	30		FDEDRO
CCN(CC)C(=O)CON=C(N)c1ccccc1C[NH+]1CCC(O)CC1	ZINC000177588986	525315842	/nfs/dbraw/zinc/31/58/42/525315842.db2.gz	MAHIHXSZARNGGQ-UHFFFAOYSA-N	1	0	362.474	1.149	20	30		FDEDRO
CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000162827229	525322480	/nfs/dbraw/zinc/32/24/80/525322480.db2.gz	UPLIMGCGXWXQLO-UHFFFAOYSA-N	1	0	362.478	1.494	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(C)CC[NH+]2CCCC2)c1	ZINC000103120451	525325094	/nfs/dbraw/zinc/32/50/94/525325094.db2.gz	VCAXXUGDQXZZEB-UHFFFAOYSA-N	1	0	351.472	1.319	20	30		FDEDRO
N#Cc1ccc(NC(=O)CCN2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1	ZINC000103151308	525335569	/nfs/dbraw/zinc/33/55/69/525335569.db2.gz	ZPQPJSTUBDVGRV-UHFFFAOYSA-N	1	0	369.469	1.127	20	30		FDEDRO
Cc1oc(NC(=O)[C@@H](C)N2CC[NH+](C3CCOCC3)CC2)c(C#N)c1C	ZINC000177753914	525342508	/nfs/dbraw/zinc/34/25/08/525342508.db2.gz	ZUQGORHFVLLAJM-CQSZACIVSA-N	1	0	360.458	1.892	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N[C@@H](C)CC#N	ZINC000178056499	525377558	/nfs/dbraw/zinc/37/75/58/525377558.db2.gz	VINDIWHDDDLIJE-AWEZNQCLSA-N	1	0	366.487	1.257	20	30		FDEDRO
C[C@H](NC(=[NH2+])NCCCNS(C)(=O)=O)c1ccc(Cl)cc1Cl	ZINC000104171405	525397042	/nfs/dbraw/zinc/39/70/42/525397042.db2.gz	LLMGGFNOVOAHBA-VIFPVBQESA-N	1	0	367.302	1.898	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NCCCNC(=O)c1cccc(Br)c1	ZINC000104184909	525400561	/nfs/dbraw/zinc/40/05/61/525400561.db2.gz	SWMPVSOBAHBGDV-NSHDSACASA-N	1	0	371.279	1.508	20	30		FDEDRO
C#CCC[NH+]1CCN(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1	ZINC000127255909	525401168	/nfs/dbraw/zinc/40/11/68/525401168.db2.gz	CRUWESLRKZFESZ-UHFFFAOYSA-N	1	0	372.488	1.505	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)CNC(=O)c2ccc(C#N)cc2)C1	ZINC000127387064	525417158	/nfs/dbraw/zinc/41/71/58/525417158.db2.gz	KMUDJWDTMVHUHW-KRWDZBQOSA-N	1	0	356.470	1.772	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1	ZINC000178414002	525424644	/nfs/dbraw/zinc/42/46/44/525424644.db2.gz	UTVLOWHATIYDNZ-OKILXGFUSA-N	1	0	372.469	1.809	20	30		FDEDRO
C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000127476027	525425729	/nfs/dbraw/zinc/42/57/29/525425729.db2.gz	MYFYGKTXDQZXKT-QWHCGFSZSA-N	1	0	372.450	1.883	20	30		FDEDRO
C#CCCN1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1	ZINC000104866369	525444971	/nfs/dbraw/zinc/44/49/71/525444971.db2.gz	OKRMTESPQUZISW-FQEVSTJZSA-N	1	0	355.482	1.352	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	ZINC000164127920	525479424	/nfs/dbraw/zinc/47/94/24/525479424.db2.gz	NJWAUJSTHRIOMX-AWEZNQCLSA-N	1	0	369.450	1.831	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)C2)CC1	ZINC000164597424	525519143	/nfs/dbraw/zinc/51/91/43/525519143.db2.gz	DFOVMAJWQJTVQL-SFHVURJKSA-N	1	0	370.497	1.954	20	30		FDEDRO
C=CCC[C@H](O)C[NH+]1CCN(CC(=O)N2CCCc3ccccc32)CC1	ZINC000128486781	525548742	/nfs/dbraw/zinc/54/87/42/525548742.db2.gz	NKEPWVAIAOJTFQ-IBGZPJMESA-N	1	0	357.498	1.911	20	30		FDEDRO
CC[C@@H](CO)[NH+]1CCN(C(=O)CCc2c(C)nn(CCC#N)c2C)CC1	ZINC000179411314	525581151	/nfs/dbraw/zinc/58/11/51/525581151.db2.gz	QXLYCSUQNMJMGJ-KRWDZBQOSA-N	1	0	361.490	1.261	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)n1	ZINC000179757841	525625736	/nfs/dbraw/zinc/62/57/36/525625736.db2.gz	SFUXHCMQSSUXSD-UHFFFAOYSA-N	1	0	372.473	1.751	20	30		FDEDRO
C=CCOc1ccc(CN2CCC[N@H+](CC(=O)N(C)C)CC2)cc1OC	ZINC000129388500	525648851	/nfs/dbraw/zinc/64/88/51/525648851.db2.gz	KYOJAMGQPVSCQL-UHFFFAOYSA-N	1	0	361.486	1.856	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccccc2CNC(=O)N2CCO[C@@H](C#N)C2)CC1	ZINC000106331290	525694013	/nfs/dbraw/zinc/69/40/13/525694013.db2.gz	XYNINDBDLUNRQV-IBGZPJMESA-N	1	0	371.485	1.258	20	30		FDEDRO
Cc1cccc(N2CC[NH+](CCCNC(=O)N3CCO[C@@H](C#N)C3)CC2)c1	ZINC000106332065	525695893	/nfs/dbraw/zinc/69/58/93/525695893.db2.gz	YJKBKGRXQXDOAH-IBGZPJMESA-N	1	0	371.485	1.441	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CCO1	ZINC000106350296	525698556	/nfs/dbraw/zinc/69/85/56/525698556.db2.gz	WMWAERGOZYKAEI-QGZVFWFLSA-N	1	0	356.426	1.362	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N1CCN(c2ncccn2)CC1	ZINC000130437917	525756363	/nfs/dbraw/zinc/75/63/63/525756363.db2.gz	UTZJJAHKWBZXSO-BBWFWOEESA-N	1	0	370.501	1.522	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCc2ccc([N+](=O)[O-])cc2)CC1	ZINC000170909869	525765696	/nfs/dbraw/zinc/76/56/96/525765696.db2.gz	GDPBHZKLAGDYBH-UHFFFAOYSA-N	1	0	363.418	1.663	20	30		FDEDRO
C=CC[C@H](C)NC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C	ZINC000119506989	525767552	/nfs/dbraw/zinc/76/75/52/525767552.db2.gz	GBWGCZLMUBXLMI-HNNXBMFYSA-N	1	0	367.515	1.919	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(N2CCOCC2)c(F)c1	ZINC000106752494	525777143	/nfs/dbraw/zinc/77/71/43/525777143.db2.gz	QQTRZXSCQINEPT-UHFFFAOYSA-N	1	0	362.449	1.970	20	30		FDEDRO
N#C[C@H]1CSCCN1C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1	ZINC000271701743	674372246	/nfs/dbraw/zinc/37/22/46/674372246.db2.gz	HMZNUVMBVMJPKC-SFHVURJKSA-N	1	0	359.495	1.972	20	30		FDEDRO
C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1	ZINC000181042908	525795202	/nfs/dbraw/zinc/79/52/02/525795202.db2.gz	QXNNDGRSIDGMJW-MJGOQNOKSA-N	1	0	371.481	1.282	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1	ZINC000181228022	525822993	/nfs/dbraw/zinc/82/29/93/525822993.db2.gz	QYPRESYYAXTMFW-UHFFFAOYSA-N	1	0	359.474	1.632	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C(C)(C)COc1ccc(C(F)(F)F)cn1	ZINC000181666495	525888550	/nfs/dbraw/zinc/88/85/50/525888550.db2.gz	RCOHLRJHCIEJNH-UHFFFAOYSA-N	1	0	374.363	1.859	20	30		FDEDRO
N#Cc1ccc(C(=O)Nc2ccccc2C[N@H+]2CCC[C@@H](C(N)=O)C2)nc1	ZINC000107468411	525890955	/nfs/dbraw/zinc/89/09/55/525890955.db2.gz	NZERMFNHYIXVON-MRXNPFEDSA-N	1	0	363.421	1.903	20	30		FDEDRO
N#Cc1ccc(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)[nH]1	ZINC000131986794	525925564	/nfs/dbraw/zinc/92/55/64/525925564.db2.gz	XNOJHWZZPOHKCO-UHFFFAOYSA-N	1	0	351.410	1.964	20	30		FDEDRO
COCC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](C)C(N)=O	ZINC000155645425	525931208	/nfs/dbraw/zinc/93/12/08/525931208.db2.gz	RQWODCHCMJQPFI-LLVKDONJSA-N	1	0	352.822	1.362	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1	ZINC000328630136	525934052	/nfs/dbraw/zinc/93/40/52/525934052.db2.gz	JBGWFRVMNDEFFJ-SOLBZPMBSA-N	1	0	360.506	1.495	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000171305244	525939014	/nfs/dbraw/zinc/93/90/14/525939014.db2.gz	PUKFHKZNQUEADC-JYJNAYRXSA-N	1	0	366.506	1.208	20	30		FDEDRO
N#Cc1cnn(-c2ccc(C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)cc2)c1N	ZINC000108299956	525949727	/nfs/dbraw/zinc/94/97/27/525949727.db2.gz	IVFRUUOUZHEOKL-INIZCTEOSA-N	1	0	350.426	1.540	20	30		FDEDRO
N#CCCn1ccc(NC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)n1	ZINC000132467808	525966637	/nfs/dbraw/zinc/96/66/37/525966637.db2.gz	WLTHZOQTRWFEBE-SJORKVTESA-N	1	0	368.441	1.554	20	30		FDEDRO
CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)c1	ZINC000181935079	525989208	/nfs/dbraw/zinc/98/92/08/525989208.db2.gz	VDJKLBYMXLDMSX-OLZOCXBDSA-N	1	0	352.460	1.006	20	30		FDEDRO
N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](CC(N)=O)C1CCOCC1	ZINC000181955403	525995212	/nfs/dbraw/zinc/99/52/12/525995212.db2.gz	MGGOYDHAIXDUJY-AWEZNQCLSA-N	1	0	364.833	1.410	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(OCC#N)cc1	ZINC000181978666	526006542	/nfs/dbraw/zinc/00/65/42/526006542.db2.gz	MPEJMFFLYFBFRQ-FUHWJXTLSA-N	1	0	372.469	1.173	20	30		FDEDRO
C[NH+](C)Cc1ccc(CNC(=O)CNC(=O)c2ccc(C#N)cc2)cc1F	ZINC000155919072	526008217	/nfs/dbraw/zinc/00/82/17/526008217.db2.gz	ZGATTZGGJFYWCC-UHFFFAOYSA-N	1	0	368.412	1.805	20	30		FDEDRO
C[C@H]([NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)c1cccc(C#N)c1	ZINC000181989491	526010815	/nfs/dbraw/zinc/01/08/15/526010815.db2.gz	UWLKBIVBBXLVOW-INIZCTEOSA-N	1	0	364.453	1.738	20	30		FDEDRO
N#Cc1ccc(SCC(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1	ZINC000171486907	526013793	/nfs/dbraw/zinc/01/37/93/526013793.db2.gz	WTHWTCCWIQYTML-UHFFFAOYSA-N	1	0	358.511	1.890	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)[C@@H]1CCSC1	ZINC000155956080	526017698	/nfs/dbraw/zinc/01/76/98/526017698.db2.gz	AJHBTHMXXNICQN-QZTJIDSGSA-N	1	0	358.511	1.660	20	30		FDEDRO
CCNC(=O)N1CC[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000182018027	526022856	/nfs/dbraw/zinc/02/28/56/526022856.db2.gz	KWVGUVLJXJSAMR-IBGZPJMESA-N	1	0	355.486	1.916	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)cc2C1=O	ZINC000108783847	526023151	/nfs/dbraw/zinc/02/31/51/526023151.db2.gz	ZYOBGOOPGYVARZ-ZDUSSCGKSA-N	1	0	353.422	1.683	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(-n3cnnn3)ccc2F)CC1	ZINC000171588590	526041999	/nfs/dbraw/zinc/04/19/99/526041999.db2.gz	VRKGFOWQOIKBGE-UHFFFAOYSA-N	1	0	359.409	1.963	20	30		FDEDRO
COC(=O)CCN1CC[N@H+](CCC(=O)Nc2ccccc2C#N)[C@@H](C)C1	ZINC000182120271	526062458	/nfs/dbraw/zinc/06/24/58/526062458.db2.gz	SFIPHVXFWWWWLA-HNNXBMFYSA-N	1	0	358.442	1.456	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2ccc(S(=O)(=O)NC)s2)CC1	ZINC000171706224	526086070	/nfs/dbraw/zinc/08/60/70/526086070.db2.gz	YMSLRNJJCFKNQC-UHFFFAOYSA-N	1	0	372.516	1.106	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)c2cc(Br)cc(C#N)c2)[C@@H](C)C[NH2+]1	ZINC000156266158	526094809	/nfs/dbraw/zinc/09/48/09/526094809.db2.gz	SLKONNWMEZSCLG-UWVGGRQHSA-N	1	0	358.261	1.692	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC(NS(=O)(=O)CCC)CC2)CC1	ZINC000171738520	526104506	/nfs/dbraw/zinc/10/45/06/526104506.db2.gz	SVFZRQXNJQUJLM-UHFFFAOYSA-N	1	0	372.535	1.140	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(Cc1ccc(C#N)cc1)C1CC1	ZINC000171750980	526109431	/nfs/dbraw/zinc/10/94/31/526109431.db2.gz	HXOONXWBWSCIPC-INIZCTEOSA-N	1	0	355.486	1.868	20	30		FDEDRO
C[NH+](C)CCNC(=O)Cn1cc(NC(=O)Nc2ccc(CC#N)cc2)cn1	ZINC000156434905	526133885	/nfs/dbraw/zinc/13/38/85/526133885.db2.gz	JBUMLRSZTFMMNV-UHFFFAOYSA-N	1	0	369.429	1.271	20	30		FDEDRO
Cn1c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cccc1=O	ZINC000156494233	526148453	/nfs/dbraw/zinc/14/84/53/526148453.db2.gz	GKSWROFLFBAYFL-UHFFFAOYSA-N	1	0	350.422	1.605	20	30		FDEDRO
CC[C@@H]([NH2+]CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@H]1CCCO1	ZINC000182385619	526153679	/nfs/dbraw/zinc/15/36/79/526153679.db2.gz	NRQIKUYLARZJHS-GDBMZVCRSA-N	1	0	361.446	1.051	20	30		FDEDRO
N#CC1(C(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CCC1	ZINC000134897675	526198926	/nfs/dbraw/zinc/19/89/26/526198926.db2.gz	FWWSORZTVPZPEF-UHFFFAOYSA-N	1	0	354.454	1.822	20	30		FDEDRO
CC(C)[N@H+](CCO)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000182697986	535848272	/nfs/dbraw/zinc/84/82/72/535848272.db2.gz	YBFGJDNSZTUCOP-SFHVURJKSA-N	1	0	362.449	1.237	20	30		FDEDRO
C[NH+](C)CCSCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000182748914	535856397	/nfs/dbraw/zinc/85/63/97/535856397.db2.gz	YHJMLQAXYYHCDU-AWEZNQCLSA-N	1	0	352.529	1.752	20	30		FDEDRO
C[C@H]1C[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCCO1	ZINC000182747796	535856669	/nfs/dbraw/zinc/85/66/69/535856669.db2.gz	NVINXFXLTAAXJH-HOTGVXAUSA-N	1	0	362.499	1.568	20	30		FDEDRO
COC(=O)c1cn(C2CC[NH+](CCOc3ccc(C#N)cc3)CC2)nn1	ZINC000183729700	536037800	/nfs/dbraw/zinc/03/78/00/536037800.db2.gz	LEJGHYLNTPZASH-UHFFFAOYSA-N	1	0	355.398	1.652	20	30		FDEDRO
CCN(CC1CC1)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000183808216	536052030	/nfs/dbraw/zinc/05/20/30/536052030.db2.gz	LSDTWPCGKSSVGG-UHFFFAOYSA-N	1	0	364.515	1.899	20	30		FDEDRO
C[C@](C#N)(NC(=O)CN[C@H](CO)c1cccc(Br)c1)C1CC1	ZINC000183910740	536065568	/nfs/dbraw/zinc/06/55/68/536065568.db2.gz	BPPLYAKRFRKILR-GDBMZVCRSA-N	1	0	366.259	1.881	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000184504360	536158197	/nfs/dbraw/zinc/15/81/97/536158197.db2.gz	KAYOZHXUSHIZLH-GFCCVEGCSA-N	1	0	356.879	1.126	20	30		FDEDRO
CCN(CC)C(=O)CN1CCCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1	ZINC000186608307	536238448	/nfs/dbraw/zinc/23/84/48/536238448.db2.gz	INKJPISQSMJAOR-UHFFFAOYSA-N	1	0	359.430	1.847	20	30		FDEDRO
CN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C[C@@H]1CCCO1	ZINC000187806982	536274975	/nfs/dbraw/zinc/27/49/75/536274975.db2.gz	JGJPKSGPVUGNBU-RBUKOAKNSA-N	1	0	374.460	1.645	20	30		FDEDRO
CC[NH+](CC)[C@@H]1CCN(CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1	ZINC000266630190	536912052	/nfs/dbraw/zinc/91/20/52/536912052.db2.gz	PFIYBCMTMIEPIJ-ZBFHGGJFSA-N	1	0	367.453	1.928	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCCN(CC)C(=O)C1)C(C)C	ZINC000188650505	536920731	/nfs/dbraw/zinc/92/07/31/536920731.db2.gz	VLNDNYGOBNAWAM-KRWDZBQOSA-N	1	0	350.507	1.949	20	30		FDEDRO
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1	ZINC000246631204	536993825	/nfs/dbraw/zinc/99/38/25/536993825.db2.gz	ZKUNWGNSSUSNNC-VQTJNVASSA-N	1	0	370.497	1.874	20	30		FDEDRO
C[NH+]=C(NCc1ccc(S(N)(=O)=O)s1)N[C@@H](C)c1ccccc1	ZINC000263232977	536997454	/nfs/dbraw/zinc/99/74/54/536997454.db2.gz	IONBQEOTPGVNBG-NSHDSACASA-N	1	0	352.485	1.822	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2ccc(F)c(C#N)c2)CC1	ZINC000189119411	537000598	/nfs/dbraw/zinc/00/05/98/537000598.db2.gz	QKVHLRLKJCILAV-CYBMUJFWSA-N	1	0	354.451	1.002	20	30		FDEDRO
C[NH+]=C(NCCNc1ncc(Cl)cc1Cl)N1CCN(C(C)=O)CC1	ZINC000263254641	537002561	/nfs/dbraw/zinc/00/25/61/537002561.db2.gz	QCAOYPTXPOOHJZ-UHFFFAOYSA-N	1	0	373.288	1.540	20	30		FDEDRO
[NH2+]=C(NC[C@H](c1ccco1)N1CCCC1)N1CCN(c2ncccn2)CC1	ZINC000263258060	537003299	/nfs/dbraw/zinc/00/32/99/537003299.db2.gz	RNZUHHVUOJXHDU-MRXNPFEDSA-N	1	0	369.473	1.343	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](CN2CCOCC2)C1	ZINC000246698283	537007071	/nfs/dbraw/zinc/00/70/71/537007071.db2.gz	KNULXTRXJGZPJC-MOPGFXCFSA-N	1	0	370.497	1.976	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCc3cccc(C(N)=O)c3)=[NH+]C[C@H]2C1	ZINC000268058325	537009519	/nfs/dbraw/zinc/00/95/19/537009519.db2.gz	CCFDGNPLDCLHPS-HNNXBMFYSA-N	1	0	373.457	1.166	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1	ZINC000268140510	537011795	/nfs/dbraw/zinc/01/17/95/537011795.db2.gz	KJIJACWKZMFVCZ-AHRSYUTCSA-N	1	0	367.497	1.889	20	30		FDEDRO
N#CCCn1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)n1	ZINC000189386228	537038293	/nfs/dbraw/zinc/03/82/93/537038293.db2.gz	YPHMNLMFTVUATE-OAHLLOKOSA-N	1	0	358.446	1.212	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)CN1CC[N@@H+](CC(C)(C)O)C[C@H]1C	ZINC000189430046	537045207	/nfs/dbraw/zinc/04/52/07/537045207.db2.gz	WTMXRXQZRIICSX-MJGOQNOKSA-N	1	0	362.514	1.932	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)/C=C/c1ccccc1C#N	ZINC000263684608	537065141	/nfs/dbraw/zinc/06/51/41/537065141.db2.gz	LNKVESVBRDSFSK-DOJUMQAQSA-N	1	0	354.454	1.630	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Nc1cccc(OCC#N)c1	ZINC000263691756	537067267	/nfs/dbraw/zinc/06/72/67/537067267.db2.gz	MVXFOIMGMMVBFA-QGZVFWFLSA-N	1	0	373.457	1.653	20	30		FDEDRO
C=CCc1cc(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cc(OC)c1OC	ZINC000263760890	537091380	/nfs/dbraw/zinc/09/13/80/537091380.db2.gz	LMFHXHTVVKDGSD-OAHLLOKOSA-N	1	0	361.486	1.798	20	30		FDEDRO
CN1CC[N@H+](CCCNC(=O)N2CCO[C@@H](C#N)C2)[C@H](c2ccccc2)C1	ZINC000247579596	537137180	/nfs/dbraw/zinc/13/71/80/537137180.db2.gz	IGBHBISLBNUBFL-OALUTQOASA-N	1	0	371.485	1.299	20	30		FDEDRO
C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000247645848	537142089	/nfs/dbraw/zinc/14/20/89/537142089.db2.gz	VMRDPJDJGDEVMA-WFASDCNBSA-N	1	0	355.410	1.941	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000247645844	537142446	/nfs/dbraw/zinc/14/24/46/537142446.db2.gz	VMRDPJDJGDEVMA-SWLSCSKDSA-N	1	0	355.410	1.941	20	30		FDEDRO
C=CC[NH+]1CCC(Nc2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])CC1	ZINC000264392291	537143345	/nfs/dbraw/zinc/14/33/45/537143345.db2.gz	CIOKUGOBQSRJHP-UHFFFAOYSA-N	1	0	354.432	1.565	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(c3nccc(OC)n3)CC2)CC1	ZINC000264428041	537144409	/nfs/dbraw/zinc/14/44/09/537144409.db2.gz	YTCABQIUFAVLQJ-UHFFFAOYSA-N	1	0	374.489	1.357	20	30		FDEDRO
CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC000264565243	537145460	/nfs/dbraw/zinc/14/54/60/537145460.db2.gz	PMWZOPOOZMYGTJ-INIZCTEOSA-N	1	0	351.472	1.883	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@@H](O)c2cc(OC)cc(OC)c2)CC1	ZINC000265431821	537152517	/nfs/dbraw/zinc/15/25/17/537152517.db2.gz	IRPHBTBBVUJMKW-GOSISDBHSA-N	1	0	363.458	1.687	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)C2=O)cc1	ZINC000190249104	537157418	/nfs/dbraw/zinc/15/74/18/537157418.db2.gz	GMRVVKRRZOPFGS-MSOLQXFVSA-N	1	0	367.453	1.149	20	30		FDEDRO
CCOCCOCCN(C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000190271370	537159763	/nfs/dbraw/zinc/15/97/63/537159763.db2.gz	JWHSMJLPOVQLCF-UHFFFAOYSA-N	1	0	371.441	1.667	20	30		FDEDRO
CCS(=O)(=O)N1CC(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000190279646	537160442	/nfs/dbraw/zinc/16/04/42/537160442.db2.gz	WWTDPGOMHOHKGS-UHFFFAOYSA-N	1	0	373.482	1.330	20	30		FDEDRO
C=CCN(CCOC)C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1	ZINC000190898563	537190227	/nfs/dbraw/zinc/19/02/27/537190227.db2.gz	XLVTWQTUVRHPAR-UHFFFAOYSA-N	1	0	360.502	1.778	20	30		FDEDRO
C=CC[C@@H](CO)NC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000248598869	537195682	/nfs/dbraw/zinc/19/56/82/537195682.db2.gz	IRBLCDPXPSLYGV-MSOLQXFVSA-N	1	0	374.485	1.120	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@]2(C)C(N)=O)c(OC)c1	ZINC000248630377	537198565	/nfs/dbraw/zinc/19/85/65/537198565.db2.gz	WGUCQVDURFZWNM-OXQOHEQNSA-N	1	0	362.470	1.893	20	30		FDEDRO
CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCO[C@@H](C#N)C1	ZINC000266435737	537202588	/nfs/dbraw/zinc/20/25/88/537202588.db2.gz	LRQXPSUVZVXVMI-INIZCTEOSA-N	1	0	373.457	1.593	20	30		FDEDRO
C[C@@H](O)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H](C)CO	ZINC000248980385	537223665	/nfs/dbraw/zinc/22/36/65/537223665.db2.gz	VGCQCWWFYDOPSZ-VXGBXAGGSA-N	1	0	351.472	1.501	20	30		FDEDRO
Cc1nc(Cl)ccc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000193373975	537246209	/nfs/dbraw/zinc/24/62/09/537246209.db2.gz	BDPWIFOMTFPTMA-UHFFFAOYSA-N	1	0	351.838	1.676	20	30		FDEDRO
CCCc1csc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)n1	ZINC000193373958	537246363	/nfs/dbraw/zinc/24/63/63/537246363.db2.gz	OGZRQDSUAQPVJM-UHFFFAOYSA-N	1	0	351.476	1.728	20	30		FDEDRO
C[NH+](C)CCNC(=O)C1CCN(C(=O)Nc2ccc(F)cc2C#N)CC1	ZINC000193723565	537255006	/nfs/dbraw/zinc/25/50/06/537255006.db2.gz	BZPMAHXNDNHVSV-UHFFFAOYSA-N	1	0	361.421	1.619	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1)C[NH+]1CCCC1	ZINC000194157537	537259748	/nfs/dbraw/zinc/25/97/48/537259748.db2.gz	KWNBMZMRTNBTGO-INIZCTEOSA-N	1	0	356.474	1.517	20	30		FDEDRO
CN1CCC([NH+]2CCC(CCNS(=O)(=O)CCCC#N)CC2)CC1	ZINC000363638198	537264103	/nfs/dbraw/zinc/26/41/03/537264103.db2.gz	HLDVGQNVMFKSNR-UHFFFAOYSA-N	1	0	356.536	1.406	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@H](S(C)(=O)=O)C1	ZINC000282242590	537281951	/nfs/dbraw/zinc/28/19/51/537281951.db2.gz	QAYROHQJKKQJNT-HIFRSBDPSA-N	1	0	356.513	1.770	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CNS(=O)(=O)c2ccccc2F)CC1	ZINC000290214520	537291943	/nfs/dbraw/zinc/29/19/43/537291943.db2.gz	JDWRMABYXYYLLP-UHFFFAOYSA-N	1	0	369.462	1.261	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=O)cc1NS(=O)(=O)c1ccc(C#N)cc1	ZINC000194588772	537299844	/nfs/dbraw/zinc/29/98/44/537299844.db2.gz	VJTISAVVCZZFSU-UHFFFAOYSA-N	1	0	358.423	1.520	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)NCCSCc2ccccc2C#N)CC1	ZINC000194646051	537308334	/nfs/dbraw/zinc/30/83/34/537308334.db2.gz	GOGAAZFZRBRGMN-UHFFFAOYSA-N	1	0	360.527	1.935	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1	ZINC000298883613	537355103	/nfs/dbraw/zinc/35/51/03/537355103.db2.gz	ZINAQPMQGWZOKI-IBGZPJMESA-N	1	0	368.481	1.994	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C	ZINC000283181619	537358176	/nfs/dbraw/zinc/35/81/76/537358176.db2.gz	DZODRUZZXCFRHG-KURKYZTESA-N	1	0	359.470	1.503	20	30		FDEDRO
C=C(C)Cn1c(C2CCC2)nnc1N1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000283351954	537371175	/nfs/dbraw/zinc/37/11/75/537371175.db2.gz	SDMVCNUFVDJNPB-UHFFFAOYSA-N	1	0	360.506	1.722	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(CC2([NH+]3CCC(OC)CC3)CCCC2)C1=O	ZINC000348440161	537386131	/nfs/dbraw/zinc/38/61/31/537386131.db2.gz	LTNUKXMCXOAKPT-INIZCTEOSA-N	1	0	365.474	1.533	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1	ZINC000283937574	537393582	/nfs/dbraw/zinc/39/35/82/537393582.db2.gz	FUUJZJMNSPLIQO-UHFFFAOYSA-N	1	0	372.513	1.343	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)nn1CCC#N	ZINC000271017342	537393971	/nfs/dbraw/zinc/39/39/71/537393971.db2.gz	FKQQWSWXDATVTK-LIRRHRJNSA-N	1	0	374.489	1.670	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCc2ccc(OC)c(OC)c2)c(OC)n1	ZINC000290758948	537405574	/nfs/dbraw/zinc/40/55/74/537405574.db2.gz	ZBUMNMFTUARDNK-UHFFFAOYSA-N	1	0	360.414	1.721	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC2CC[NH+](C(C)C)CC2)c1	ZINC000198357429	537421863	/nfs/dbraw/zinc/42/18/63/537421863.db2.gz	OJXRALSHHRNQIR-UHFFFAOYSA-N	1	0	365.499	1.754	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1	ZINC000287201255	537440478	/nfs/dbraw/zinc/44/04/78/537440478.db2.gz	FUIGUULQVJMLCH-GDBMZVCRSA-N	1	0	357.454	1.609	20	30		FDEDRO
Cc1nnc(CON=C(N)CCN2CC[NH+](Cc3ccccc3)CC2)s1	ZINC000271489546	537449046	/nfs/dbraw/zinc/44/90/46/537449046.db2.gz	KQIBKRNTAATWEV-UHFFFAOYSA-N	1	0	374.514	1.843	20	30		FDEDRO
C=CCC[N@@H+](C)CC(=O)N(CC)c1c(N)n(CCCC)c(=O)[nH]c1=O	ZINC000276362659	537453265	/nfs/dbraw/zinc/45/32/65/537453265.db2.gz	FZHDMGYPUXKKJQ-UHFFFAOYSA-N	1	0	351.451	1.192	20	30		FDEDRO
CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(c2snc(C)c2C#N)CC1	ZINC000290934612	537477228	/nfs/dbraw/zinc/47/72/28/537477228.db2.gz	ZHPQIADTMGSNGW-CYBMUJFWSA-N	1	0	364.519	1.885	20	30		FDEDRO
COC1CC[NH+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1	ZINC000271914678	537506839	/nfs/dbraw/zinc/50/68/39/537506839.db2.gz	JISOKINCAJSGGF-IBGZPJMESA-N	1	0	374.460	1.645	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1	ZINC000274327870	537523736	/nfs/dbraw/zinc/52/37/36/537523736.db2.gz	ZBWWLEPINAUMIZ-PKOBYXMFSA-N	1	0	356.470	1.364	20	30		FDEDRO
C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000293708643	537568286	/nfs/dbraw/zinc/56/82/86/537568286.db2.gz	LSIOWFFKKAGTSU-DZGCQCFKSA-N	1	0	355.442	1.661	20	30		FDEDRO
C[NH+](C)C1(CNS(=O)(=O)c2cncc(C#N)c2)Cc2ccccc2C1	ZINC000289389037	537570257	/nfs/dbraw/zinc/57/02/57/537570257.db2.gz	DGPDFKSHAGCSPC-UHFFFAOYSA-N	1	0	356.451	1.331	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)/C=C/c2ccc(OCC#N)cc2)CC1(C)C	ZINC000281651755	537574992	/nfs/dbraw/zinc/57/49/92/537574992.db2.gz	BNFLPNBOJJJRFS-RMKNXTFCSA-N	1	0	356.470	1.744	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1	ZINC000281781084	537582167	/nfs/dbraw/zinc/58/21/67/537582167.db2.gz	NAKFMSXOCCQDKV-IAGOWNOFSA-N	1	0	366.487	1.128	20	30		FDEDRO
C[C@H]1C[C@H](C)C[NH+](CCCCNS(=O)(=O)c2cncc(C#N)c2)C1	ZINC000289851840	537604148	/nfs/dbraw/zinc/60/41/48/537604148.db2.gz	PTJLISITWYKAOA-GJZGRUSLSA-N	1	0	350.488	1.990	20	30		FDEDRO
CN1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1c1nc(C2CC2)no1	ZINC000329026314	537633899	/nfs/dbraw/zinc/63/38/99/537633899.db2.gz	JSJBZWCHSWQYKK-MRXNPFEDSA-N	1	0	374.489	1.776	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)NCCc1nc2c(s1)CCCC2	ZINC000329031414	537633905	/nfs/dbraw/zinc/63/39/05/537633905.db2.gz	PSWNTIXWUKEPOM-CYBMUJFWSA-N	1	0	351.520	1.314	20	30		FDEDRO
CC(C)N1C(=O)N[C@@H]2CN(C(=O)NCC3CC[NH+](C4CC4)CC3)CC[C@@H]21	ZINC000329174442	537636108	/nfs/dbraw/zinc/63/61/08/537636108.db2.gz	LGERFQHRUSDVQP-SJORKVTESA-N	1	0	363.506	1.856	20	30		FDEDRO
C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000289960036	537636687	/nfs/dbraw/zinc/63/66/87/537636687.db2.gz	WNGMJWSHBFBGMR-NSISKUIASA-N	1	0	368.481	1.849	20	30		FDEDRO
Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCOCC3(CC3)C2)CCC[N@@H+]1C	ZINC000329505480	537637668	/nfs/dbraw/zinc/63/76/68/537637668.db2.gz	LIESNZICWZMFHE-DOTOQJQBSA-N	1	0	361.490	1.829	20	30		FDEDRO
O=C(C[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1)NC(=O)Nc1ccc2c(c1)OCCO2	ZINC000329609529	537640710	/nfs/dbraw/zinc/64/07/10/537640710.db2.gz	BUUQPSMUKRXANL-UBHSHLNASA-N	1	0	361.398	1.663	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC([O-])=[NH+][C@H]2CCc3c[nH]nc3C2)CC1	ZINC000329831420	537643216	/nfs/dbraw/zinc/64/32/16/537643216.db2.gz	FPJVKAGSSVRXKF-INIZCTEOSA-N	1	0	369.473	1.118	20	30		FDEDRO
Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)NC[C@H]1C[N@H+](C)CCN1C	ZINC000329917480	537645702	/nfs/dbraw/zinc/64/57/02/537645702.db2.gz	QVWXQMUAMVCFEB-AEFFLSMTSA-N	1	0	370.501	2.373	20	30		FDEDRO
COc1nn(C)cc1NC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1	ZINC000330007692	537649511	/nfs/dbraw/zinc/64/95/11/537649511.db2.gz	DUFVRYHSGOIMIH-UHFFFAOYSA-N	1	0	364.494	1.465	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCC(N(C)S(C)(=O)=O)CC2)C1	ZINC000330930548	537661938	/nfs/dbraw/zinc/66/19/38/537661938.db2.gz	PQXHLYZNBGRIEY-HNNXBMFYSA-N	1	0	374.551	1.234	20	30		FDEDRO
CN(C(=O)C[NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O)C1(C#N)CCCCC1	ZINC000331194328	537665543	/nfs/dbraw/zinc/66/55/43/537665543.db2.gz	RKPHVXCJVKJVDW-CABCVRRESA-N	1	0	370.519	1.121	20	30		FDEDRO
CCc1nc(C)c(CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)o1	ZINC000292008865	537699133	/nfs/dbraw/zinc/69/91/33/537699133.db2.gz	YLBRCIHEQDTMQW-UHFFFAOYSA-N	1	0	351.451	1.913	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2cn3ccc(C)cc3n2)CC1	ZINC000285405428	537703599	/nfs/dbraw/zinc/70/35/99/537703599.db2.gz	IBPDNEKVUGDNOW-UHFFFAOYSA-N	1	0	369.469	1.416	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1	ZINC000294571909	537707462	/nfs/dbraw/zinc/70/74/62/537707462.db2.gz	LRDKQJVSXNOJII-KRWDZBQOSA-N	1	0	374.481	1.831	20	30		FDEDRO
CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(OC)c(OCCCC#N)c1	ZINC000295077391	537710485	/nfs/dbraw/zinc/71/04/85/537710485.db2.gz	PXZSWNQQCFPARM-OAHLLOKOSA-N	1	0	369.487	1.795	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)COc2cccc(F)c2)CC1	ZINC000285506738	537722664	/nfs/dbraw/zinc/72/26/64/537722664.db2.gz	NVHXNORSLBFZDB-CQSZACIVSA-N	1	0	363.433	1.476	20	30		FDEDRO
Cn1cc(-c2cc(C[N@@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)on2)cn1	ZINC000292298323	537726337	/nfs/dbraw/zinc/72/63/37/537726337.db2.gz	UREWPRQGUQJISJ-OAHLLOKOSA-N	1	0	350.382	1.995	20	30		FDEDRO
CC1(C)NC(=O)N(CCC[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1=O	ZINC000292371422	537730800	/nfs/dbraw/zinc/73/08/00/537730800.db2.gz	YOCVXMQNBCFMDQ-CQSZACIVSA-N	1	0	357.414	1.127	20	30		FDEDRO
CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1	ZINC000407991417	537814414	/nfs/dbraw/zinc/81/44/14/537814414.db2.gz	VBLZEVJKHDTFAF-WCQYABFASA-N	1	0	353.410	1.967	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000366680200	537820712	/nfs/dbraw/zinc/82/07/12/537820712.db2.gz	QJIYTFWTUPBYPA-NEWSRXKRSA-N	1	0	364.534	1.778	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH+]1CCC2(C[C@H]2c2nnc3n2CCCCC3)CC1	ZINC000376578490	537852176	/nfs/dbraw/zinc/85/21/76/537852176.db2.gz	CBZMNAJFOBYLRU-CVEARBPZSA-N	1	0	355.486	1.712	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH+]1CCC2(C[C@H]2c2nnc3n2CCCCC3)CC1	ZINC000376578491	537852443	/nfs/dbraw/zinc/85/24/43/537852443.db2.gz	CBZMNAJFOBYLRU-HOTGVXAUSA-N	1	0	355.486	1.712	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1ccccc1OCC[NH+](C)C	ZINC000409579449	537864737	/nfs/dbraw/zinc/86/47/37/537864737.db2.gz	FOLPCADMYPVNMN-HNNXBMFYSA-N	1	0	368.503	1.443	20	30		FDEDRO
COC(=O)[C@@H]1CN(CC(=O)Nc2sc(C)c(C)c2C#N)CC[N@H+](C)C1	ZINC000411919163	537902764	/nfs/dbraw/zinc/90/27/64/537902764.db2.gz	PNMKBGWHXIXWLA-ZDUSSCGKSA-N	1	0	364.471	1.212	20	30		FDEDRO
CC[NH2+][C@H](C)CNC(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000419116120	537945598	/nfs/dbraw/zinc/94/55/98/537945598.db2.gz	OKAZTLDNYAAQQQ-GFCCVEGCSA-N	1	0	355.360	1.287	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N(C)C1CC[NH+](C2CCOCC2)CC1	ZINC000367134806	537948499	/nfs/dbraw/zinc/94/84/99/537948499.db2.gz	CERWAOKFBUZCLD-OAHLLOKOSA-N	1	0	372.535	1.288	20	30		FDEDRO
CN(C(=O)NCC(=O)NCC#N)C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1	ZINC000377108867	537955479	/nfs/dbraw/zinc/95/54/79/537955479.db2.gz	UJICQZAEOVVXBY-JWTNVVGKSA-N	1	0	369.469	1.463	20	30		FDEDRO
C[C@@H](CNC(=O)[C@@]1(C#N)CCc2ccccc2C1)C[NH+]1CCN(C)CC1	ZINC000367569776	537961631	/nfs/dbraw/zinc/96/16/31/537961631.db2.gz	KVUQXDGWRSGTAE-UWJYYQICSA-N	1	0	354.498	1.685	20	30		FDEDRO
CC(C)(O)C[N@@H+]1CCCN(C(=O)/C=C/c2ccc(OCC#N)cc2)CC1	ZINC000372497192	537964174	/nfs/dbraw/zinc/96/41/74/537964174.db2.gz	SFMOCMCVWCGUAZ-RMKNXTFCSA-N	1	0	357.454	1.907	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)CC1	ZINC000367890914	537971107	/nfs/dbraw/zinc/97/11/07/537971107.db2.gz	HUIQBZIILSWVDL-CVEARBPZSA-N	1	0	358.442	1.629	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1=O	ZINC000369061293	537996680	/nfs/dbraw/zinc/99/66/80/537996680.db2.gz	CVKJJMPQPFXJCM-SFHVURJKSA-N	1	0	371.485	1.474	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000410846041	537997445	/nfs/dbraw/zinc/99/74/45/537997445.db2.gz	YHMRDNKRDHSHQY-CALCHBBNSA-N	1	0	365.518	1.759	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000369216752	538003965	/nfs/dbraw/zinc/00/39/65/538003965.db2.gz	XFYJVKNXVHFGDL-BZUAXINKSA-N	1	0	372.535	1.286	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1	ZINC000410899914	538008471	/nfs/dbraw/zinc/00/84/71/538008471.db2.gz	OFXSNOKDESFUTC-QZTJIDSGSA-N	1	0	364.534	1.426	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)cc1	ZINC000415349736	538020844	/nfs/dbraw/zinc/02/08/44/538020844.db2.gz	XVJSEQUCBSYYSO-HNNXBMFYSA-N	1	0	370.453	1.260	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1	ZINC000415407924	538034769	/nfs/dbraw/zinc/03/47/69/538034769.db2.gz	QKSYIKJREAFPOQ-CQSZACIVSA-N	1	0	358.442	1.790	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@H](C)C[NH2+]1	ZINC000415569119	538079026	/nfs/dbraw/zinc/07/90/26/538079026.db2.gz	RGOJBGRRLOSIED-NXEZZACHSA-N	1	0	354.332	1.724	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1)c1ccc(F)c(F)c1	ZINC000419681672	538089878	/nfs/dbraw/zinc/08/98/78/538089878.db2.gz	SBIKLHUSXCGYTN-FFSVYQOJSA-N	1	0	351.397	1.955	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1	ZINC000371088696	538098776	/nfs/dbraw/zinc/09/87/76/538098776.db2.gz	OOXCZERJSWETIF-MUKKUYKPSA-N	1	0	356.426	1.788	20	30		FDEDRO
C[C@H](O)C[N@H+](C)C1CCN(c2ncc(Br)cc2C#N)CC1	ZINC000450319774	538118882	/nfs/dbraw/zinc/11/88/82/538118882.db2.gz	MJVQUVSWNKRBRD-NSHDSACASA-N	1	0	353.264	1.997	20	30		FDEDRO
Cc1c(C#N)c(NCCCC[NH+]2CCN(CCO)CC2)nc2ccccc12	ZINC000450335001	538123760	/nfs/dbraw/zinc/12/37/60/538123760.db2.gz	VYKHBYKHSZRBDR-UHFFFAOYSA-N	1	0	367.497	2.217	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1CNS(=O)(=O)CC1(CC#N)CC1	ZINC000451139138	538195846	/nfs/dbraw/zinc/19/58/46/538195846.db2.gz	NPSSTMPATMAPLF-UHFFFAOYSA-N	1	0	351.472	1.740	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(CO)(OC)CC1)C(C)C	ZINC000444857030	538200083	/nfs/dbraw/zinc/20/00/83/538200083.db2.gz	YWUBRAQSBJLSEN-KRWDZBQOSA-N	1	0	353.507	1.868	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCC1(C)CC[NH2+]CC1	ZINC000420089552	538213396	/nfs/dbraw/zinc/21/33/96/538213396.db2.gz	SICWRRXGFGAOLG-UHFFFAOYSA-N	1	0	354.454	1.579	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1	ZINC000420089862	538213562	/nfs/dbraw/zinc/21/35/62/538213562.db2.gz	SQLJGKPBMVWPQL-QGZVFWFLSA-N	1	0	374.441	1.743	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)CCCc2cccnc2)CC1	ZINC000422292610	538216957	/nfs/dbraw/zinc/21/69/57/538216957.db2.gz	HKOWXEUDSBJHBB-INIZCTEOSA-N	1	0	358.486	1.676	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc(Br)cc1	ZINC000424092678	538232977	/nfs/dbraw/zinc/23/29/77/538232977.db2.gz	PJCBGSPLANEXFI-LBPRGKRZSA-N	1	0	353.220	1.525	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NCCC(=O)Nc1ccc(Br)cc1	ZINC000424095128	538234940	/nfs/dbraw/zinc/23/49/40/538234940.db2.gz	WKZFXBXPYLIHPW-ZDUSSCGKSA-N	1	0	367.247	1.915	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1CCCN(C(=O)CCc2ccccc2)CC1	ZINC000424110516	538235598	/nfs/dbraw/zinc/23/55/98/538235598.db2.gz	YVSMVWYMJAEMSM-GOSISDBHSA-N	1	0	356.470	1.701	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC[NH2+]1	ZINC000420138787	538237738	/nfs/dbraw/zinc/23/77/38/538237738.db2.gz	XTHYKQWVHNABDA-GOEBONIOSA-N	1	0	370.453	1.185	20	30		FDEDRO
COc1cccc(OCCN2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)c1	ZINC000424178869	538250560	/nfs/dbraw/zinc/25/05/60/538250560.db2.gz	XPOXJSCXNUNXQD-GOSISDBHSA-N	1	0	360.458	1.239	20	30		FDEDRO
COC(=O)c1ccc(N2CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H](C)C2)cc1	ZINC000424193752	538252173	/nfs/dbraw/zinc/25/21/73/538252173.db2.gz	RFLOURHDXIZPBV-WMLDXEAASA-N	1	0	358.442	1.531	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CC(=O)N1CCC(C(=O)OCC)CC1	ZINC000424298004	538274022	/nfs/dbraw/zinc/27/40/22/538274022.db2.gz	RRZQHUJEFKADJG-PVAVHDDUSA-N	1	0	352.475	1.747	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000422525957	538295511	/nfs/dbraw/zinc/29/55/11/538295511.db2.gz	JGPXZNDPPWKQOO-IEBWSBKVSA-N	1	0	355.482	1.985	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1CCC(C(=O)NCCC(C)C)CC1	ZINC000451679600	538301717	/nfs/dbraw/zinc/30/17/17/538301717.db2.gz	ZMPSBDVLOPBFGW-MSOLQXFVSA-N	1	0	365.518	1.711	20	30		FDEDRO
C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C[C@H]1C[NH3+]	ZINC000420471470	538303182	/nfs/dbraw/zinc/30/31/82/538303182.db2.gz	ASGIIMXIHOHDIH-CMPLNLGQSA-N	1	0	372.288	1.926	20	30		FDEDRO
C=CC[N@H+](C[C@H]1CCS(=O)(=O)C1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000434539233	538329109	/nfs/dbraw/zinc/32/91/09/538329109.db2.gz	FUDXDBWLOHSUJI-HUUCEWRRSA-N	1	0	361.471	1.646	20	30		FDEDRO
CCO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000452032033	538353516	/nfs/dbraw/zinc/35/35/16/538353516.db2.gz	BXLSPBANWJWXRS-FGTMMUONSA-N	1	0	350.507	1.616	20	30		FDEDRO
C=CCn1cc(CNC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)nn1	ZINC000424907966	538357816	/nfs/dbraw/zinc/35/78/16/538357816.db2.gz	MFKFPCRPONYTEP-SFHVURJKSA-N	1	0	355.442	1.371	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)c2ccc3n[nH]cc3c2)CC1	ZINC000560508887	545530412	/nfs/dbraw/zinc/53/04/12/545530412.db2.gz	MKEQNQPSOVDEAT-HNAYVOBHSA-N	1	0	368.485	1.906	20	30		FDEDRO
N#Cc1ccc(CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)s1	ZINC000420832954	538360062	/nfs/dbraw/zinc/36/00/62/538360062.db2.gz	CMRIVIRGGVWDKV-UHFFFAOYSA-N	1	0	363.487	1.411	20	30		FDEDRO
CN(C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000435016500	538374514	/nfs/dbraw/zinc/37/45/14/538374514.db2.gz	MFSJCGGYWDXAAG-OAHLLOKOSA-N	1	0	357.458	1.748	20	30		FDEDRO
C=CCN(C(=O)C[NH2+]C[C@@H]1CCCO1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000430528449	538390371	/nfs/dbraw/zinc/39/03/71/538390371.db2.gz	YDCJSAJXKPEKDK-YJBOKZPZSA-N	1	0	370.457	1.507	20	30		FDEDRO
C=C(CC)CNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1	ZINC000454020418	538495364	/nfs/dbraw/zinc/49/53/64/538495364.db2.gz	CFZFKXSIECFPOB-UHFFFAOYSA-N	1	0	360.414	1.177	20	30		FDEDRO
Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)ncc1C#N	ZINC000457673669	538506509	/nfs/dbraw/zinc/50/65/09/538506509.db2.gz	CTXRBGRRBLRRKV-MOPGFXCFSA-N	1	0	364.449	1.875	20	30		FDEDRO
C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)N[C@H]3CCC[C@@H]3C#N)cn2)CC1	ZINC000461780987	538564898	/nfs/dbraw/zinc/56/48/98/538564898.db2.gz	ZYIYOKXIKBMKBK-CJNGLKHVSA-N	1	0	371.441	1.302	20	30		FDEDRO
N#CCCn1cc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)c(-c2ccncc2)n1	ZINC000481820894	538578133	/nfs/dbraw/zinc/57/81/33/538578133.db2.gz	ZILQFESNLWSRBR-WMZOPIPTSA-N	1	0	355.442	1.593	20	30		FDEDRO
CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1	ZINC000477106376	538593972	/nfs/dbraw/zinc/59/39/72/538593972.db2.gz	KIRXOFHZBJJFHK-MRXNPFEDSA-N	1	0	371.485	1.053	20	30		FDEDRO
COC(=O)CN(CC#N)C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1	ZINC000495470733	538666674	/nfs/dbraw/zinc/66/66/74/538666674.db2.gz	TZHFYKQLPUYQTL-UHFFFAOYSA-N	1	0	359.426	1.030	20	30		FDEDRO
CN(C)c1nc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc(=O)[nH]1	ZINC000463337295	538681317	/nfs/dbraw/zinc/68/13/17/538681317.db2.gz	WILFZGOMPRZSKJ-UHFFFAOYSA-N	1	0	368.441	1.324	20	30		FDEDRO
C[C@H](CCC#N)[NH+]1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000472773495	538698431	/nfs/dbraw/zinc/69/84/31/538698431.db2.gz	PBJMNBJPSMANQP-CYBMUJFWSA-N	1	0	364.471	1.677	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)[C@H](C[NH3+])c3ccc(F)cc3)CC2)c1	ZINC000479055650	538782248	/nfs/dbraw/zinc/78/22/48/538782248.db2.gz	MXDBUWOFIZDFBP-QGZVFWFLSA-N	1	0	353.401	1.483	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC(C)(C)CCC#N	ZINC000491036593	538861855	/nfs/dbraw/zinc/86/18/55/538861855.db2.gz	MWGUDPQBDHVKFD-HNNXBMFYSA-N	1	0	351.495	1.558	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1	ZINC000561956451	545993298	/nfs/dbraw/zinc/99/32/98/545993298.db2.gz	ABNKZHKWZVPMSJ-GOSISDBHSA-N	1	0	371.481	1.954	20	30		FDEDRO
CS(=O)(=O)c1ccc(N(CC[NH3+])Cc2ccc(C#N)o2)c([N+](=O)[O-])c1	ZINC000561970474	545995695	/nfs/dbraw/zinc/99/56/95/545995695.db2.gz	NCBAWVIZPUSTQK-UHFFFAOYSA-N	1	0	364.383	1.428	20	30		FDEDRO
CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)s1	ZINC000563002925	546350082	/nfs/dbraw/zinc/35/00/82/546350082.db2.gz	MDPGMZXEPLGZDJ-CYBMUJFWSA-N	1	0	366.464	1.553	20	30		FDEDRO
CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)s1	ZINC000563002928	546350591	/nfs/dbraw/zinc/35/05/91/546350591.db2.gz	MDPGMZXEPLGZDJ-ZDUSSCGKSA-N	1	0	366.464	1.553	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCC(=O)N[C@H]1[C@@H]1CCCO1	ZINC000563013033	546354477	/nfs/dbraw/zinc/35/44/77/546354477.db2.gz	ZIASNCHUCYKKDX-PLOVASNDSA-N	1	0	374.481	1.571	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1	ZINC000563559315	546588223	/nfs/dbraw/zinc/58/82/23/546588223.db2.gz	VIPGMEJZBXKBOU-SFHVURJKSA-N	1	0	373.526	1.481	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)ncc1C#N	ZINC000564224768	546851677	/nfs/dbraw/zinc/85/16/77/546851677.db2.gz	ORNARMGGPKEDEV-UHFFFAOYSA-N	1	0	369.469	1.923	20	30		FDEDRO
N#CC1(CS(=O)(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCC1	ZINC000564354940	546890945	/nfs/dbraw/zinc/89/09/45/546890945.db2.gz	HOJRYKTWPGZPDC-SFHVURJKSA-N	1	0	363.483	1.237	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)N[C@H](CCC#N)c3ccccc3)C[C@H]2[NH3+])cn1	ZINC000564722871	547016076	/nfs/dbraw/zinc/01/60/76/547016076.db2.gz	WEEPQJNWAMSWTG-RCCFBDPRSA-N	1	0	352.442	1.901	20	30		FDEDRO
CN1CC[NH+](C[C@H](O)CNc2ccc(Oc3ccnc(C#N)c3)cc2)CC1	ZINC000564867981	547074204	/nfs/dbraw/zinc/07/42/04/547074204.db2.gz	MGRCWFUZWLINNE-GOSISDBHSA-N	1	0	367.453	1.766	20	30		FDEDRO
Cc1csc(NC(=O)N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c1C#N	ZINC000565164903	547229489	/nfs/dbraw/zinc/22/94/89/547229489.db2.gz	WDRAUJYVZONBAF-ZDUSSCGKSA-N	1	0	361.471	1.746	20	30		FDEDRO
CC[NH+]1CCC(CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1	ZINC000565280861	547287558	/nfs/dbraw/zinc/28/75/58/547287558.db2.gz	XPQVFCKTWADIAK-QGZVFWFLSA-N	1	0	357.458	1.848	20	30		FDEDRO
C[NH+](C)CCN(CC(=O)NCc1cccc(C#N)c1)Cc1ccccn1	ZINC000565784186	547480423	/nfs/dbraw/zinc/48/04/23/547480423.db2.gz	VJAJXVQIMCHJMM-UHFFFAOYSA-N	1	0	351.454	1.633	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC2CCC(OC)CC2)CC1	ZINC000565910699	547529906	/nfs/dbraw/zinc/52/99/06/547529906.db2.gz	WIDXCHRFQVUPNC-UHFFFAOYSA-N	1	0	351.491	1.465	20	30		FDEDRO
C[C@@H](NC(=O)N1CCN(c2cnccc2C#N)CC1)C1=CC[N@H+](C)CC1	ZINC000565928084	547534173	/nfs/dbraw/zinc/53/41/73/547534173.db2.gz	BRJDMAJDCCTIEF-OAHLLOKOSA-N	1	0	354.458	1.435	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1	ZINC000566063214	547585301	/nfs/dbraw/zinc/58/53/01/547585301.db2.gz	JIVYMYXDZZUBJX-FGTMMUONSA-N	1	0	350.894	1.881	20	30		FDEDRO
COc1ccc([C@@H](CO)C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)cc1	ZINC000566230875	547672111	/nfs/dbraw/zinc/67/21/11/547672111.db2.gz	FPZOYVCPFUOXJR-QZTJIDSGSA-N	1	0	356.422	1.672	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1	ZINC000566403000	547741591	/nfs/dbraw/zinc/74/15/91/547741591.db2.gz	DMVDDSDYKBNDHK-CQSZACIVSA-N	1	0	351.410	1.769	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1	ZINC000566407866	547743932	/nfs/dbraw/zinc/74/39/32/547743932.db2.gz	WNQZGFMKXZYCKA-BBRMVZONSA-N	1	0	354.414	1.239	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)N[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2=O)nc1	ZINC000566469220	547772575	/nfs/dbraw/zinc/77/25/75/547772575.db2.gz	GPWFKHYQDKZRPN-HXUWFJFHSA-N	1	0	361.405	1.650	20	30		FDEDRO
N#Cc1ccc(OCC[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)cc1	ZINC000566673419	547847619	/nfs/dbraw/zinc/84/76/19/547847619.db2.gz	LWISRLDRTIVJHM-HNNXBMFYSA-N	1	0	356.378	1.695	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1	ZINC000567167032	548018637	/nfs/dbraw/zinc/01/86/37/548018637.db2.gz	PMBBWMRMSNQRJN-IAGOWNOFSA-N	1	0	354.458	1.412	20	30		FDEDRO
Cc1oc(NC(=O)[C@@H](C)N2CCC(CO)([NH2+]C(C)C)CC2)c(C#N)c1C	ZINC000567403919	548107330	/nfs/dbraw/zinc/10/73/30/548107330.db2.gz	UXMNFYRIUNTWAV-CQSZACIVSA-N	1	0	362.474	1.920	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]Cc1cc2c(cc1OC(F)F)OCO2	ZINC000567684875	548212231	/nfs/dbraw/zinc/21/22/31/548212231.db2.gz	PVAALQUCYJYOJJ-GFCCVEGCSA-N	1	0	357.357	1.313	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H]2CC(=O)N(C3CCCCC3)C2)cc1	ZINC000567687409	548213309	/nfs/dbraw/zinc/21/33/09/548213309.db2.gz	HECVYQJHUMOAGF-WMZOPIPTSA-N	1	0	357.454	1.821	20	30		FDEDRO
C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N1CC[NH2+]CC1	ZINC000567725184	548230914	/nfs/dbraw/zinc/23/09/14/548230914.db2.gz	BQWFYNXNVCQJLH-UHFFFAOYSA-N	1	0	371.359	1.432	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+][C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)cnc12	ZINC000567888421	548310275	/nfs/dbraw/zinc/31/02/75/548310275.db2.gz	FDHZZOCCBYCQIZ-GOSISDBHSA-N	1	0	371.404	1.758	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1	ZINC000569061948	548781186	/nfs/dbraw/zinc/78/11/86/548781186.db2.gz	RXEVZGOJDKGJBR-UHFFFAOYSA-N	1	0	353.430	1.105	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1	ZINC000569102789	548796631	/nfs/dbraw/zinc/79/66/31/548796631.db2.gz	VFMGRBSZJWJZCS-UHFFFAOYSA-N	1	0	368.481	1.703	20	30		FDEDRO
COc1cc(CNC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1C#N	ZINC000569979620	549118563	/nfs/dbraw/zinc/11/85/63/549118563.db2.gz	BPOMQKPAFZYVIR-GJZGRUSLSA-N	1	0	360.458	1.865	20	30		FDEDRO
N#Cc1cccnc1OC1CCC(NC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1	ZINC000570549372	549321429	/nfs/dbraw/zinc/32/14/29/549321429.db2.gz	UVRBFDGUQZJSCL-KNXWPPODSA-N	1	0	369.469	1.894	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCC[NH2+]C1CCCCCC1	ZINC000570667060	549367258	/nfs/dbraw/zinc/36/72/58/549367258.db2.gz	BRQNPVZUOWTEJA-UHFFFAOYSA-N	1	0	361.494	1.750	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CCC[NH2+]C1	ZINC000570786054	549409603	/nfs/dbraw/zinc/40/96/03/549409603.db2.gz	WSUOQPDSBYITPH-LPHOPBHVSA-N	1	0	355.486	1.774	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@H+](C)[C@H]2CCC(=O)N(C)C2)c(OC)c1	ZINC000570823758	549425942	/nfs/dbraw/zinc/42/59/42/549425942.db2.gz	MSDYDLBXVYFERT-IRXDYDNUSA-N	1	0	362.470	1.716	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)cc1	ZINC000570926151	549462722	/nfs/dbraw/zinc/46/27/22/549462722.db2.gz	VDGZCSOORBUZTF-HNNXBMFYSA-N	1	0	359.430	1.191	20	30		FDEDRO
CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(c3ccc(C#N)c(N)n3)C2)CC1	ZINC000571657135	549724542	/nfs/dbraw/zinc/72/45/42/549724542.db2.gz	KFDQGSDXKBFMLZ-INIZCTEOSA-N	1	0	356.474	1.306	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCC(C)(C)C2(O)CCOCC2)CC1	ZINC000571656051	549724695	/nfs/dbraw/zinc/72/46/95/549724695.db2.gz	GQHIJEBGPDTMJL-UHFFFAOYSA-N	1	0	353.507	1.894	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)c1	ZINC000571788559	549763886	/nfs/dbraw/zinc/76/38/86/549763886.db2.gz	IYARVPQGIWMEDG-UHFFFAOYSA-N	1	0	371.485	1.346	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)NCC3(C)CC[NH2+]CC3)CC2)c1C#N	ZINC000572347662	549894501	/nfs/dbraw/zinc/89/45/01/549894501.db2.gz	HKQYAVQJNFQROO-UHFFFAOYSA-N	1	0	362.503	1.545	20	30		FDEDRO
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000572787959	549994460	/nfs/dbraw/zinc/99/44/60/549994460.db2.gz	DBNOGPYQWCARGD-GOSISDBHSA-N	1	0	368.481	1.896	20	30		FDEDRO
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+][C@@H](C)C(=O)NC1(C#N)CCC1	ZINC000573075832	550058031	/nfs/dbraw/zinc/05/80/31/550058031.db2.gz	NGZUJWSOHFFRBR-HLLBOEOZSA-N	1	0	357.454	1.947	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]CCS(=O)(=O)c2ccccc2)cc1	ZINC000573084504	550059792	/nfs/dbraw/zinc/05/97/92/550059792.db2.gz	YOUBJZPNGVKOBA-QGZVFWFLSA-N	1	0	374.462	1.556	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]CC(=O)N2CCc3ccccc32)cc1	ZINC000573199200	550084983	/nfs/dbraw/zinc/08/49/83/550084983.db2.gz	OKTWRVKMVNETEX-SFHVURJKSA-N	1	0	365.433	1.671	20	30		FDEDRO
COCC1(CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CC[NH2+]CC1	ZINC000573429391	550135232	/nfs/dbraw/zinc/13/52/32/550135232.db2.gz	CLBAGWGQFSDHNW-INIZCTEOSA-N	1	0	373.457	1.132	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCN(CC(F)(F)F)C2)cc1	ZINC000573794399	550211697	/nfs/dbraw/zinc/21/16/97/550211697.db2.gz	KHYDECSDHVLKAQ-HUUCEWRRSA-N	1	0	357.376	1.719	20	30		FDEDRO
COc1ccc(C[C@@H](CO)C[NH2+]Cc2cnc3c(C#N)cnn3c2)cc1O	ZINC000573802582	550213753	/nfs/dbraw/zinc/21/37/53/550213753.db2.gz	NZXZSOSCHKVUQB-CQSZACIVSA-N	1	0	367.409	1.256	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(CC[NH3+])CC1	ZINC000574213127	550277200	/nfs/dbraw/zinc/27/72/00/550277200.db2.gz	JCTIWLYEGBLDHD-UHFFFAOYSA-N	1	0	374.441	1.109	20	30		FDEDRO
COCC1(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CCOCC1	ZINC000574270969	550286585	/nfs/dbraw/zinc/28/65/85/550286585.db2.gz	LFRZIUVDJVERJI-UHFFFAOYSA-N	1	0	352.456	1.365	20	30		FDEDRO
N#Cc1ccccc1OC1CCC(NC(=O)NCCN2CC[NH2+]CC2)CC1	ZINC000574546594	550331864	/nfs/dbraw/zinc/33/18/64/550331864.db2.gz	JNWDOQYAFXEDBQ-UHFFFAOYSA-N	1	0	371.485	1.453	20	30		FDEDRO
C=CCN(C(=O)Cc1cncn1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1	ZINC000574611204	550341525	/nfs/dbraw/zinc/34/15/25/550341525.db2.gz	PGYOULCGLRWBSI-QGZVFWFLSA-N	1	0	373.478	1.676	20	30		FDEDRO
C=CCNC(=O)c1ccc(NCc2ccccc2OCC[NH+](C)C)nc1	ZINC000574949349	550397827	/nfs/dbraw/zinc/39/78/27/550397827.db2.gz	XSNQNKRYTKFTQX-UHFFFAOYSA-N	1	0	354.454	2.550	20	30		FDEDRO
CC#CCN(C)C(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C	ZINC000575019836	550410229	/nfs/dbraw/zinc/41/02/29/550410229.db2.gz	XGPKQLSJFOXPGU-UHFFFAOYSA-N	1	0	365.499	1.320	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCN(c3ccccc3)C2=O)cc1	ZINC000575377452	550458958	/nfs/dbraw/zinc/45/89/58/550458958.db2.gz	RIKWNJVUDZDXDM-IEBWSBKVSA-N	1	0	351.406	1.693	20	30		FDEDRO
CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000575741966	550470581	/nfs/dbraw/zinc/47/05/81/550470581.db2.gz	ZIITYYJAKMVRBM-AQKDONEWSA-N	1	0	369.512	1.396	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1	ZINC000576033322	550503860	/nfs/dbraw/zinc/50/38/60/550503860.db2.gz	XJJJVMMTDRQDDJ-IRXDYDNUSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1	ZINC000576270749	550530477	/nfs/dbraw/zinc/53/04/77/550530477.db2.gz	CGCFOXIVZZJUEL-DLBZAZTESA-N	1	0	368.441	1.295	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]Cc2ccnc(N3CCOCC3)c2)cc1	ZINC000576270856	550530492	/nfs/dbraw/zinc/53/04/92/550530492.db2.gz	KQSBPVSXMQALIY-GOSISDBHSA-N	1	0	368.437	1.319	20	30		FDEDRO
CN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C[C@H]1CCC[N@@H+]1C	ZINC000576385236	550543054	/nfs/dbraw/zinc/54/30/54/550543054.db2.gz	IAKQHLNIHSBCSP-QGZVFWFLSA-N	1	0	352.442	1.708	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)C[C@@H]21	ZINC000576702686	550577199	/nfs/dbraw/zinc/57/71/99/550577199.db2.gz	DSYIICSXOUVKOF-MFKMUULPSA-N	1	0	359.373	1.902	20	30		FDEDRO
C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@@H]2C1	ZINC000577601766	550673903	/nfs/dbraw/zinc/67/39/03/550673903.db2.gz	QGNXVLMNWLEJAC-SFHVURJKSA-N	1	0	364.453	1.914	20	30		FDEDRO
CC(C)NS(=O)(=O)[C@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1	ZINC000577615508	550676167	/nfs/dbraw/zinc/67/61/67/550676167.db2.gz	OXCKFQGINRKPSG-AWEZNQCLSA-N	1	0	352.416	1.369	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NCCC[N@@H+](C)CCN(C)C)cc2C1=O	ZINC000578104597	550728362	/nfs/dbraw/zinc/72/83/62/550728362.db2.gz	IQRCXPDVLCUWJJ-UHFFFAOYSA-N	1	0	372.469	1.082	20	30		FDEDRO
CC[N@H+](C)C[C@H](O)CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000578156527	550734342	/nfs/dbraw/zinc/73/43/42/550734342.db2.gz	HSKFGGBXSIWZPH-AWEZNQCLSA-N	1	0	359.430	1.241	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)NCC[C@H]3CCC[NH2+]C3)C2=O)cc1	ZINC000578173002	550735711	/nfs/dbraw/zinc/73/57/11/550735711.db2.gz	XJYLASXNGQRKOJ-AEFFLSMTSA-N	1	0	369.469	1.743	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCO[C@H](C(C)C)C1)C(C)C	ZINC000578251856	550744879	/nfs/dbraw/zinc/74/48/79/550744879.db2.gz	SPQNQSPNLZVJJS-MSOLQXFVSA-N	1	0	365.518	1.685	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]CCc2cccc(C(N)=O)c2)cc1	ZINC000578639648	550785898	/nfs/dbraw/zinc/78/58/98/550785898.db2.gz	BAWUUPMYTRNGCY-GOSISDBHSA-N	1	0	353.422	1.424	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC(C#N)CC1)c1ccc(Cl)cc1	ZINC000578814754	550804240	/nfs/dbraw/zinc/80/42/40/550804240.db2.gz	OFIOMHXIPAJWIV-INIZCTEOSA-N	1	0	362.861	1.821	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cncc(C#N)c1	ZINC000578940212	550817364	/nfs/dbraw/zinc/81/73/64/550817364.db2.gz	KQMDUOOUCWNRKH-UHFFFAOYSA-N	1	0	369.450	1.577	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCC2(C)CCC(OC)CC2)CC1	ZINC000579020802	550827340	/nfs/dbraw/zinc/82/73/40/550827340.db2.gz	NFJUDZGFSHJXQI-UHFFFAOYSA-N	1	0	351.491	1.465	20	30		FDEDRO
C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCc1ccc(CC#N)cc1	ZINC000579107845	550836249	/nfs/dbraw/zinc/83/62/49/550836249.db2.gz	GLRPEMCGTJCLEB-ZACQAIPSSA-N	1	0	370.497	1.851	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+][C@H]3CCN(C(=O)CCc4ccccc4)C3)cnc12	ZINC000580075306	550940834	/nfs/dbraw/zinc/94/08/34/550940834.db2.gz	CVDRTXGPBYSVFD-IBGZPJMESA-N	1	0	374.448	1.924	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)n2)c(Cl)c1	ZINC000580999895	551041513	/nfs/dbraw/zinc/04/15/13/551041513.db2.gz	FPHCNUQOIIWMTE-UONOGXRCSA-N	1	0	370.844	2.471	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)n2)c(Cl)c1	ZINC000580999893	551041720	/nfs/dbraw/zinc/04/17/20/551041720.db2.gz	FPHCNUQOIIWMTE-KBPBESRZSA-N	1	0	370.844	2.471	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000581022160	551044334	/nfs/dbraw/zinc/04/43/34/551044334.db2.gz	MOKVZDDYOTVUMZ-INIZCTEOSA-N	1	0	351.491	1.466	20	30		FDEDRO
Cn1ccnc1[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CCO1	ZINC000581067135	551048247	/nfs/dbraw/zinc/04/82/47/551048247.db2.gz	WTSAIJMWMLOGJG-RDJZCZTQSA-N	1	0	374.466	1.575	20	30		FDEDRO
C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H](O)Cc1ccccc1	ZINC000581071774	551049070	/nfs/dbraw/zinc/04/90/70/551049070.db2.gz	IXRFQVBIIKOQSD-YOEHRIQHSA-N	1	0	359.451	1.309	20	30		FDEDRO
C[N@H+](CCCN1C(=O)NC(C)(C)C1=O)CCOCc1ccc(C#N)cc1	ZINC000581215116	551064487	/nfs/dbraw/zinc/06/44/87/551064487.db2.gz	MGEKBWDOOOYTAR-UHFFFAOYSA-N	1	0	358.442	1.727	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]Cc1nc2c(cccc2Br)[nH]1	ZINC000581424644	551087120	/nfs/dbraw/zinc/08/71/20/551087120.db2.gz	AIHRXFLDWCBATE-LLVKDONJSA-N	1	0	366.263	1.621	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)ncc1C#N	ZINC000581616659	551112246	/nfs/dbraw/zinc/11/22/46/551112246.db2.gz	UUMNPNXZQXJNEZ-MRXNPFEDSA-N	1	0	351.410	1.619	20	30		FDEDRO
C[C@@H]1C[C@H](C)C[N@@H+](CCCNCCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000581632594	551114547	/nfs/dbraw/zinc/11/45/47/551114547.db2.gz	ZXRVJBUCBXHJME-IYBDPMFKSA-N	1	0	364.515	1.685	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H]3CCC[C@H]([NH3+])C3)C2=O)cc1	ZINC000581674180	551121071	/nfs/dbraw/zinc/12/10/71/551121071.db2.gz	TVFJKEMYYQSBFF-SQNIBIBYSA-N	1	0	369.469	1.476	20	30		FDEDRO
CN1CC[NH2+]C[C@H]1CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	ZINC000581775166	551134447	/nfs/dbraw/zinc/13/44/47/551134447.db2.gz	SGFJOEAVERCAHJ-INIZCTEOSA-N	1	0	366.425	1.771	20	30		FDEDRO
COC(=O)c1cccc(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)c1	ZINC000581809431	551135676	/nfs/dbraw/zinc/13/56/76/551135676.db2.gz	KMSOXCNADWCXCB-UHFFFAOYSA-N	1	0	373.434	1.346	20	30		FDEDRO
Cc1ccc([C@H](CNC(=O)C(=O)Nc2cc(C)c(C#N)cn2)[NH+](C)C)cc1	ZINC000582070917	551171663	/nfs/dbraw/zinc/17/16/63/551171663.db2.gz	BKNFJMBIUXZCOJ-KRWDZBQOSA-N	1	0	365.437	1.928	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1C#N	ZINC000582414206	551220395	/nfs/dbraw/zinc/22/03/95/551220395.db2.gz	CNPUVJUVSIURMV-UHFFFAOYSA-N	1	0	356.386	2.211	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]CCN2C(=O)c3ccccc3C2=O)cc1	ZINC000582959864	551285544	/nfs/dbraw/zinc/28/55/44/551285544.db2.gz	PWHGJKRJQUMARS-OAHLLOKOSA-N	1	0	365.389	1.184	20	30		FDEDRO
CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000583626573	551378580	/nfs/dbraw/zinc/37/85/80/551378580.db2.gz	WYYMLDXPPBXUNP-SQNIBIBYSA-N	1	0	359.470	1.971	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2ccc(CC#N)cc2)CC1	ZINC000583868836	551413264	/nfs/dbraw/zinc/41/32/64/551413264.db2.gz	MLCGOFXYGVUPOR-SFHVURJKSA-N	1	0	369.469	1.201	20	30		FDEDRO
C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000584214309	551464566	/nfs/dbraw/zinc/46/45/66/551464566.db2.gz	VBKCGAHLCNZWAC-OAHLLOKOSA-N	1	0	356.478	1.631	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC1CC[NH+](C(C)C)CC1	ZINC000584325006	551480144	/nfs/dbraw/zinc/48/01/44/551480144.db2.gz	NATAWAFHHSUOCT-UHFFFAOYSA-N	1	0	367.457	2.442	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)ncc1C#N	ZINC000584419758	551494496	/nfs/dbraw/zinc/49/44/96/551494496.db2.gz	PESOPHQJVVCVAE-INIZCTEOSA-N	1	0	355.442	1.677	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2ccc3c(c2)C(=O)NCC3)cc1	ZINC000584465737	551501318	/nfs/dbraw/zinc/50/13/18/551501318.db2.gz	ZUVDRVHWGFYAQE-GOSISDBHSA-N	1	0	365.433	1.568	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NCCC3=CC[NH2+]CC3)CC2)c(F)c1	ZINC000584709636	551533663	/nfs/dbraw/zinc/53/36/63/551533663.db2.gz	KQCIVGSWXVRARA-UHFFFAOYSA-N	1	0	357.433	1.839	20	30		FDEDRO
C[NH+](C)CCOC1CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1	ZINC000584869652	551563103	/nfs/dbraw/zinc/56/31/03/551563103.db2.gz	RLFZIADPQPDACG-UHFFFAOYSA-N	1	0	362.405	1.205	20	30		FDEDRO
CCNC(=O)C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000585754777	551593154	/nfs/dbraw/zinc/59/31/54/551593154.db2.gz	JUPIIFJMVWVTCR-ZWKOTPCHSA-N	1	0	359.470	1.873	20	30		FDEDRO
CC(=O)N1CCN([C@H]2CN(C(=O)Cc3c(F)cccc3C#N)C[C@H]2C)CC1	ZINC000586795104	551620077	/nfs/dbraw/zinc/62/00/77/551620077.db2.gz	YZBOYBZHUOBMQU-KUHUBIRLSA-N	1	0	372.444	1.251	20	30		FDEDRO
CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCc1ccc(C#N)cc1F	ZINC000586858511	551626352	/nfs/dbraw/zinc/62/63/52/551626352.db2.gz	AFAKAYOKIGIVFW-MRXNPFEDSA-N	1	0	360.433	1.694	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(C#N)cc2F)[C@@H](C)C1	ZINC000586861854	551627053	/nfs/dbraw/zinc/62/70/53/551627053.db2.gz	ARCSMQLYESGMNZ-SUMWQHHRSA-N	1	0	360.433	1.502	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c(F)c1	ZINC000586863941	551627526	/nfs/dbraw/zinc/62/75/26/551627526.db2.gz	FIPYWGMAQHQGCM-INIZCTEOSA-N	1	0	358.417	1.400	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1	ZINC000587248446	551631658	/nfs/dbraw/zinc/63/16/58/551631658.db2.gz	VDCBZOGWGZEMHJ-SJORKVTESA-N	1	0	374.460	1.751	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)c1cccc(C#N)c1	ZINC000587689638	551633862	/nfs/dbraw/zinc/63/38/62/551633862.db2.gz	LEWJCHKSYQQUFO-BMGDILEWSA-N	1	0	354.454	1.678	20	30		FDEDRO
CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)C1	ZINC000587706102	551634775	/nfs/dbraw/zinc/63/47/75/551634775.db2.gz	UXZVSNOGFCJHFY-WBVHZDCISA-N	1	0	356.470	1.926	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1cccc(C#N)c1	ZINC000587742014	551635525	/nfs/dbraw/zinc/63/55/25/551635525.db2.gz	ZPWLSBCUUVTGRY-JCGIZDLHSA-N	1	0	354.454	1.678	20	30		FDEDRO
CC(=O)NCC[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000588215958	551659205	/nfs/dbraw/zinc/65/92/05/551659205.db2.gz	ZBCUCJANRKHCJH-MOPGFXCFSA-N	1	0	359.470	1.731	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000588903572	551698206	/nfs/dbraw/zinc/69/82/06/551698206.db2.gz	NYOPRDUDLPWEAD-UHFFFAOYSA-N	1	0	358.895	1.373	20	30		FDEDRO
C[NH+](C)Cc1ccccc1NC(=O)CNS(=O)(=O)c1cccc(C#N)c1	ZINC000589299843	551723686	/nfs/dbraw/zinc/72/36/86/551723686.db2.gz	BRDPLGGLQPCHDN-UHFFFAOYSA-N	1	0	372.450	1.537	20	30		FDEDRO
CNS(=O)(=O)NC1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1	ZINC000589743039	551744596	/nfs/dbraw/zinc/74/45/96/551744596.db2.gz	FUUANOICFDNCPP-UHFFFAOYSA-N	1	0	350.488	1.506	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(c2cnccc2C#N)CC1)C1CC[NH+](C)CC1	ZINC000589887019	551749438	/nfs/dbraw/zinc/74/94/38/551749438.db2.gz	XPWMEAUXUFVREP-HNNXBMFYSA-N	1	0	356.474	1.515	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)CN2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1	ZINC000590012309	551757157	/nfs/dbraw/zinc/75/71/57/551757157.db2.gz	QLBINXMLDBFYOP-LPHOPBHVSA-N	1	0	356.470	1.968	20	30		FDEDRO
C[NH+](C)CCn1cc(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cn1	ZINC000590121182	551761387	/nfs/dbraw/zinc/76/13/87/551761387.db2.gz	XBOYWNWTNRVESX-MRXNPFEDSA-N	1	0	369.429	1.397	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3cccc(OCCCC#N)c3)[C@@H]2C1	ZINC000590278454	551769261	/nfs/dbraw/zinc/76/92/61/551769261.db2.gz	GKZMUANTNJMOHY-RHSMWYFYSA-N	1	0	356.426	1.470	20	30		FDEDRO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2	ZINC000590355295	551775347	/nfs/dbraw/zinc/77/53/47/551775347.db2.gz	PEJCVVCNXWFPOS-IEBWSBKVSA-N	1	0	356.470	1.468	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)Nc1ccccc1-n1ncc(C#N)c1N	ZINC000590544350	551790183	/nfs/dbraw/zinc/79/01/83/551790183.db2.gz	TYORHFIMGBOIER-CYBMUJFWSA-N	1	0	354.414	1.233	20	30		FDEDRO
COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000590752212	551812064	/nfs/dbraw/zinc/81/20/64/551812064.db2.gz	QYBYKWSKANTUMH-CVEARBPZSA-N	1	0	367.409	1.614	20	30		FDEDRO
C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1	ZINC000590785866	551816533	/nfs/dbraw/zinc/81/65/33/551816533.db2.gz	MFVZRPUYQZEWMC-BBRMVZONSA-N	1	0	370.453	1.837	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1	ZINC000591073868	551841645	/nfs/dbraw/zinc/84/16/45/551841645.db2.gz	NZLBRSYPUJADER-MSOLQXFVSA-N	1	0	364.559	1.896	20	30		FDEDRO
N#Cc1ccccc1N1CCN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)CC1	ZINC000591275086	551855332	/nfs/dbraw/zinc/85/53/32/551855332.db2.gz	RICMYRAGILAZAJ-UHFFFAOYSA-N	1	0	363.421	1.304	20	30		FDEDRO
N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)cn2)cc1	ZINC000591290423	551856841	/nfs/dbraw/zinc/85/68/41/551856841.db2.gz	LBKRMAVIANAKHX-CQSZACIVSA-N	1	0	365.393	1.552	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c1	ZINC000591304532	551859461	/nfs/dbraw/zinc/85/94/61/551859461.db2.gz	IUWNOPBCNPLHKA-RHSMWYFYSA-N	1	0	356.426	1.518	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(F)c1	ZINC000591308467	551860344	/nfs/dbraw/zinc/86/03/44/551860344.db2.gz	VHOHSHMQGZCDGN-GJZGRUSLSA-N	1	0	358.417	1.874	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1	ZINC000591359679	551865924	/nfs/dbraw/zinc/86/59/24/551865924.db2.gz	JJKZOWXSEAPGQY-HUUCEWRRSA-N	1	0	372.473	1.773	20	30		FDEDRO
N#C[C@H]1CN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1	ZINC000591359540	551865964	/nfs/dbraw/zinc/86/59/64/551865964.db2.gz	LFWWZKJYLCMKQY-HKUYNNGSSA-N	1	0	355.486	1.796	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1	ZINC000591727806	551903775	/nfs/dbraw/zinc/90/37/75/551903775.db2.gz	UBDJWLSHLDETJX-SFHVURJKSA-N	1	0	367.453	1.630	20	30		FDEDRO
Cc1ccc(NCCC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)nc1	ZINC000591748143	551905601	/nfs/dbraw/zinc/90/56/01/551905601.db2.gz	ZPWSRKNZWPTQJO-UHFFFAOYSA-N	1	0	358.467	2.127	20	30		FDEDRO
COc1ccc([C@H](CNC(=O)N2CC[C@](O)(CC#N)C2)[NH+]2CCCC2)cc1	ZINC000591892829	551913881	/nfs/dbraw/zinc/91/38/81/551913881.db2.gz	UUWZVYPVFXMCSL-AZUAARDMSA-N	1	0	372.469	1.892	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCc3ccc(CC#N)cc3)CC2)C1	ZINC000592040397	551930691	/nfs/dbraw/zinc/93/06/91/551930691.db2.gz	FCCZWWPFLFPFQP-LJQANCHMSA-N	1	0	355.486	1.674	20	30		FDEDRO
CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](CCC(=O)Nc2ccccc2C#N)C1	ZINC000592186615	551955394	/nfs/dbraw/zinc/95/53/94/551955394.db2.gz	WOGQXQOSGAYMFL-INIZCTEOSA-N	1	0	368.359	1.887	20	30		FDEDRO
CCCN(C(=O)C(=O)Nc1cc(C#N)ccc1OCC)[C@H]1CC[N@H+](C)C1	ZINC000592300319	551974671	/nfs/dbraw/zinc/97/46/71/551974671.db2.gz	LMCGINUZPAFGHU-HNNXBMFYSA-N	1	0	358.442	1.838	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H](O)Cc2cccc(F)c2)nc1	ZINC000592431544	551994503	/nfs/dbraw/zinc/99/45/03/551994503.db2.gz	CVWVJFZGJSOYBE-INIZCTEOSA-N	1	0	363.414	1.059	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+][C@@H]3CCN(C(=O)C4CCCCC4)C3)cnc12	ZINC000592503523	552003005	/nfs/dbraw/zinc/00/30/05/552003005.db2.gz	BGWWSFVWCDNKEU-QGZVFWFLSA-N	1	0	352.442	1.872	20	30		FDEDRO
COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1	ZINC000592529529	552005192	/nfs/dbraw/zinc/00/51/92/552005192.db2.gz	LPSYDPMLABVUPS-WBVHZDCISA-N	1	0	369.425	1.215	20	30		FDEDRO
CC(C)(C)OC(=O)[C@@H]1CC(=O)N(C2CC[NH+](CCOCCC#N)CC2)C1	ZINC000593044512	552055651	/nfs/dbraw/zinc/05/56/51/552055651.db2.gz	NMXMNPBXDLOPEF-OAHLLOKOSA-N	1	0	365.474	1.571	20	30		FDEDRO
CCN(CCC#N)C(=O)CN1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21	ZINC000593067341	552057852	/nfs/dbraw/zinc/05/78/52/552057852.db2.gz	JZAZYVIZLSMJDS-WOJBJXKFSA-N	1	0	370.497	1.724	20	30		FDEDRO
CCc1noc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1	ZINC000593219013	552074088	/nfs/dbraw/zinc/07/40/88/552074088.db2.gz	ZUHYAUNBFHBCKX-UHFFFAOYSA-N	1	0	354.414	1.712	20	30		FDEDRO
CNC(=O)CCCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593316882	552088631	/nfs/dbraw/zinc/08/86/31/552088631.db2.gz	CEOSEWDGHGEABA-UHFFFAOYSA-N	1	0	357.458	1.348	20	30		FDEDRO
CCn1nnc(C)c1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593348926	552093674	/nfs/dbraw/zinc/09/36/74/552093674.db2.gz	OLQJHTUIMNCPPO-UHFFFAOYSA-N	1	0	352.442	1.873	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)C3(C#N)CCOCC3)CC2)c1	ZINC000593354586	552094629	/nfs/dbraw/zinc/09/46/29/552094629.db2.gz	TUGZWLAFBSWRAS-UHFFFAOYSA-N	1	0	352.438	1.959	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NCc3ccncn3)CC2)c1	ZINC000593412962	552104575	/nfs/dbraw/zinc/10/45/75/552104575.db2.gz	NAWWWTZFHBXDQR-UHFFFAOYSA-N	1	0	350.426	1.812	20	30		FDEDRO
C[NH+](C)CCN1CCN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1=O	ZINC000593415581	552105182	/nfs/dbraw/zinc/10/51/82/552105182.db2.gz	HXOOCYBRNSSXTP-GOSISDBHSA-N	1	0	369.469	1.351	20	30		FDEDRO
N#Cc1cnc2ccc(OC(F)F)cc2c1N1CC([N@@H+]2CC[C@@H](O)C2)C1	ZINC000593507876	552119040	/nfs/dbraw/zinc/11/90/40/552119040.db2.gz	ONNLNRXVIGCEDU-CYBMUJFWSA-N	1	0	360.364	1.963	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NCCC3CC(O)C3)CC2)c1	ZINC000593513630	552119979	/nfs/dbraw/zinc/11/99/79/552119979.db2.gz	MJDVHQYLUGIQQJ-UHFFFAOYSA-N	1	0	356.470	1.983	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@@H](O)C(F)(F)F)CC2)c1	ZINC000593514676	552120773	/nfs/dbraw/zinc/12/07/73/552120773.db2.gz	YRRPAZHIXSQTET-OAHLLOKOSA-N	1	0	370.375	1.745	20	30		FDEDRO
N#CC[C@@]1(O)CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000593518614	552121437	/nfs/dbraw/zinc/12/14/37/552121437.db2.gz	XICIUMHBUNQOKU-HXUWFJFHSA-N	1	0	367.453	1.583	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)NC[C@@H](C)[N@H+](C)C1CC1	ZINC000593541429	552127831	/nfs/dbraw/zinc/12/78/31/552127831.db2.gz	ASERSOJVSADVKJ-LLVKDONJSA-N	1	0	351.428	1.106	20	30		FDEDRO
CN1CCN(C)[C@H](CNS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C1	ZINC000593542991	552128207	/nfs/dbraw/zinc/12/82/07/552128207.db2.gz	XYPVGPGZXLYPEW-OAHLLOKOSA-N	1	0	350.488	1.012	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccsc3C#N)CC2)C1	ZINC000593546033	552129521	/nfs/dbraw/zinc/12/95/21/552129521.db2.gz	JAYHKATWRPKBSD-CYBMUJFWSA-N	1	0	354.501	1.020	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1	ZINC000593732506	552185972	/nfs/dbraw/zinc/18/59/72/552185972.db2.gz	OPUUXDKBDKQIMI-BBWFWOEESA-N	1	0	363.483	1.916	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1	ZINC000593733343	552186250	/nfs/dbraw/zinc/18/62/50/552186250.db2.gz	FTXIKACATKFCKF-NHYWBVRUSA-N	1	0	350.400	1.216	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCc1ccc(C[NH3+])cc1F	ZINC000593771590	552195263	/nfs/dbraw/zinc/19/52/63/552195263.db2.gz	XCFMNZJYMPVHPR-UHFFFAOYSA-N	1	0	371.416	1.967	20	30		FDEDRO
C[NH2+]Cc1ccccc1CNC(=O)C(=O)N(C)Cc1cccc(C#N)c1	ZINC000593774693	552195773	/nfs/dbraw/zinc/19/57/73/552195773.db2.gz	DYYZBKFTEVBOFP-UHFFFAOYSA-N	1	0	350.422	1.552	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)NCCC2CC[NH2+]CC2)c1	ZINC000593778686	552196026	/nfs/dbraw/zinc/19/60/26/552196026.db2.gz	PUGBZZOLYBTULT-UHFFFAOYSA-N	1	0	358.442	1.814	20	30		FDEDRO
Cc1cc2c(cc1C#N)[nH]nc2NC(=O)c1ccnc(OCC[NH+](C)C)c1	ZINC000593846737	552208463	/nfs/dbraw/zinc/20/84/63/552208463.db2.gz	VXWLOORIEDWHLL-UHFFFAOYSA-N	1	0	364.409	2.331	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)CNCC(F)(F)F)CC2)c1	ZINC000593881815	552215852	/nfs/dbraw/zinc/21/58/52/552215852.db2.gz	CVLREHWIRBRECF-UHFFFAOYSA-N	1	0	354.376	1.791	20	30		FDEDRO
CC(C)C[C@@H](C(N)=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593885313	552217042	/nfs/dbraw/zinc/21/70/42/552217042.db2.gz	BAEPBXMYMNHJEX-SFHVURJKSA-N	1	0	356.470	1.786	20	30		FDEDRO
CC(C)(C)[C@@H](NC(N)=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593886140	552217338	/nfs/dbraw/zinc/21/73/38/552217338.db2.gz	ORJYKBDVRCJLSK-KRWDZBQOSA-N	1	0	371.485	1.722	20	30		FDEDRO
N#Cc1ccc(NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1Br	ZINC000594103727	552249322	/nfs/dbraw/zinc/24/93/22/552249322.db2.gz	IJXVLIIVIPRXMQ-QWHCGFSZSA-N	1	0	365.231	1.603	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1Cc2ccc(C#N)cc2C1	ZINC000594218907	552266042	/nfs/dbraw/zinc/26/60/42/552266042.db2.gz	GONLPSYZDINWBU-GOSISDBHSA-N	1	0	369.469	1.526	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)N2Cc3ccc(C#N)cc3C2)CC1	ZINC000594229222	552268014	/nfs/dbraw/zinc/26/80/14/552268014.db2.gz	HAOZESPVWUQMDO-INIZCTEOSA-N	1	0	355.486	1.857	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)Cc3ccc(C#N)cc3)C2)CC1	ZINC000594281162	552276632	/nfs/dbraw/zinc/27/66/32/552276632.db2.gz	CBAGKXMZJSFRGB-FXAWDEMLSA-N	1	0	354.498	1.975	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)n(CCC#N)n1	ZINC000594325411	552288125	/nfs/dbraw/zinc/28/81/25/552288125.db2.gz	FFDUXJHDODJFOM-GJZGRUSLSA-N	1	0	358.446	1.177	20	30		FDEDRO
N#Cc1ccc(N2CCC(C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)CC2)c(F)c1	ZINC000594387173	552300685	/nfs/dbraw/zinc/30/06/85/552300685.db2.gz	RQGODSJBEGJDLK-DLBZAZTESA-N	1	0	372.444	1.191	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1	ZINC000594426754	552308057	/nfs/dbraw/zinc/30/80/57/552308057.db2.gz	GTKPMAVCLUJQNQ-QGZVFWFLSA-N	1	0	360.433	1.911	20	30		FDEDRO
Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC2)cc1F	ZINC000594428745	552308737	/nfs/dbraw/zinc/30/87/37/552308737.db2.gz	NTZLUMNHNMTSAJ-KRWDZBQOSA-N	1	0	360.433	1.830	20	30		FDEDRO
Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)[C@@H]([NH3+])CCCCC#N)cc1	ZINC000594435439	552309400	/nfs/dbraw/zinc/30/94/00/552309400.db2.gz	CHNGNCRLEKWBCC-HOCLYGCPSA-N	1	0	351.472	1.685	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N1CCN(Cc2nccn2C(F)F)CC1	ZINC000594439721	552310852	/nfs/dbraw/zinc/31/08/52/552310852.db2.gz	YWIBNWWFLNEWAT-CYBMUJFWSA-N	1	0	354.405	1.334	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1	ZINC000594440136	552311331	/nfs/dbraw/zinc/31/13/31/552311331.db2.gz	URUGOKLMTZZDAJ-MRXNPFEDSA-N	1	0	364.396	1.660	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(F)c1	ZINC000594621188	552342611	/nfs/dbraw/zinc/34/26/11/552342611.db2.gz	RNMBSDBLPZZAOD-IRXDYDNUSA-N	1	0	358.417	1.447	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccc(C#N)c1	ZINC000594620702	552342626	/nfs/dbraw/zinc/34/26/26/552342626.db2.gz	KXOVHHNEVCDXAW-WBAXXEDZSA-N	1	0	354.454	1.869	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1	ZINC000594645972	552348249	/nfs/dbraw/zinc/34/82/49/552348249.db2.gz	JUKWUCWSYMREOM-INIZCTEOSA-N	1	0	363.483	1.365	20	30		FDEDRO
N#Cc1cccc(C(=O)NCc2cn(CCC[NH+]3CCSCC3)nn2)c1	ZINC000594653170	552349411	/nfs/dbraw/zinc/34/94/11/552349411.db2.gz	DYYWTSVFPWEERL-UHFFFAOYSA-N	1	0	370.482	1.519	20	30		FDEDRO
C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(C#N)cc1F	ZINC000594803525	552391065	/nfs/dbraw/zinc/39/10/65/552391065.db2.gz	QBCIAYBKDVJQDN-ZDUSSCGKSA-N	1	0	356.467	1.248	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1	ZINC000594819510	552398066	/nfs/dbraw/zinc/39/80/66/552398066.db2.gz	JVSFDKNRNCDSRQ-GOSISDBHSA-N	1	0	371.462	1.603	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)NCC1([NH3+])CCCC1	ZINC000595120869	552457541	/nfs/dbraw/zinc/45/75/41/552457541.db2.gz	ZYUHQCLXPXFQPX-UHFFFAOYSA-N	1	0	358.261	1.871	20	30		FDEDRO
CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@@](C)(C#N)C3)C2)CC1	ZINC000595145702	552466962	/nfs/dbraw/zinc/46/69/62/552466962.db2.gz	DRLXAYDDKFFCCS-PXNSSMCTSA-N	1	0	360.502	1.719	20	30		FDEDRO
CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000595150019	552468339	/nfs/dbraw/zinc/46/83/39/552468339.db2.gz	CCWUOYVHKZBBOT-UHFFFAOYSA-N	1	0	354.332	1.536	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)n(CCC#N)n1	ZINC000595167822	552475010	/nfs/dbraw/zinc/47/50/10/552475010.db2.gz	WQTUODKUTHCWBN-OAHLLOKOSA-N	1	0	372.473	1.567	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1	ZINC000595228406	552498100	/nfs/dbraw/zinc/49/81/00/552498100.db2.gz	FBHSXRPLBHPOTH-UHFFFAOYSA-N	1	0	358.417	1.874	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)Nc2cccc(CC#N)c2)CCO1	ZINC000595237276	552501610	/nfs/dbraw/zinc/50/16/10/552501610.db2.gz	XHXLPMKNAFDUQR-QGZVFWFLSA-N	1	0	358.442	1.260	20	30		FDEDRO
N#CC[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)C1	ZINC000595238538	552501986	/nfs/dbraw/zinc/50/19/86/552501986.db2.gz	DPLWBMJFDBFSJO-JQFCIGGWSA-N	1	0	356.426	1.485	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1F	ZINC000595239990	552502449	/nfs/dbraw/zinc/50/24/49/552502449.db2.gz	JMVXULGMETVSRW-OAHLLOKOSA-N	1	0	358.417	1.874	20	30		FDEDRO
CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000595241919	552503174	/nfs/dbraw/zinc/50/31/74/552503174.db2.gz	NIBFOJLXDZQCDT-GFCCVEGCSA-N	1	0	372.347	1.885	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)ccc1Br	ZINC000595247819	552504872	/nfs/dbraw/zinc/50/48/72/552504872.db2.gz	GAGLUCMPUQXONV-UHFFFAOYSA-N	1	0	363.215	1.209	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)cc1Br	ZINC000595253482	552505496	/nfs/dbraw/zinc/50/54/96/552505496.db2.gz	WIHRTTQQYKMWEX-UHFFFAOYSA-N	1	0	363.215	1.209	20	30		FDEDRO
COC[C@@]1(CNC(=O)N2CCN(c3ccsc3C#N)CC2)CCC[NH2+]1	ZINC000595272250	552509594	/nfs/dbraw/zinc/50/95/94/552509594.db2.gz	AHOTZIWJUKTUPM-KRWDZBQOSA-N	1	0	363.487	1.220	20	30		FDEDRO
COC(=O)CCN1CC[C@H]([NH+]2CCC(Oc3cccc(C#N)c3)CC2)C1=O	ZINC000595303942	552517595	/nfs/dbraw/zinc/51/75/95/552517595.db2.gz	RGBPWYIDKRBSND-SFHVURJKSA-N	1	0	371.437	1.565	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1	ZINC000595347794	552533169	/nfs/dbraw/zinc/53/31/69/552533169.db2.gz	SRQQAHPSGRCCJY-HNNXBMFYSA-N	1	0	356.536	1.909	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(Cl)c1	ZINC000595384932	552544179	/nfs/dbraw/zinc/54/41/79/552544179.db2.gz	PXGMSELBNRLHAS-CQSZACIVSA-N	1	0	369.874	1.431	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)CCO1	ZINC000595404362	552550954	/nfs/dbraw/zinc/55/09/54/552550954.db2.gz	KUMRQMPTFQXPTR-AWEZNQCLSA-N	1	0	355.435	1.429	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@](C)(C#N)C3)cn2)CC1	ZINC000595445002	552561417	/nfs/dbraw/zinc/56/14/17/552561417.db2.gz	QSAVPWZLRCYJOB-LJQANCHMSA-N	1	0	356.474	1.669	20	30		FDEDRO
CN1CC(=O)N(CC[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)C1=O	ZINC000595483749	552570567	/nfs/dbraw/zinc/57/05/67/552570567.db2.gz	LJKTXKWMRSKJLF-UHFFFAOYSA-N	1	0	360.389	1.435	20	30		FDEDRO
CC(C)C[NH2+]C1(CO)CCN(CC(=O)NC2(C#N)CCCCC2)CC1	ZINC000595512916	552575979	/nfs/dbraw/zinc/57/59/79/552575979.db2.gz	ZDRMGZDTAWMDIZ-UHFFFAOYSA-N	1	0	350.507	1.402	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)cc1	ZINC000595527213	552579095	/nfs/dbraw/zinc/57/90/95/552579095.db2.gz	PNQQAFRGSPFHMM-SOAMZJECSA-N	1	0	360.454	1.354	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000595663700	552599678	/nfs/dbraw/zinc/59/96/78/552599678.db2.gz	SNLARIDXQIHSOO-MRXNPFEDSA-N	1	0	356.474	1.658	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C[N@H+](CCN2CCOCC2)CC2CC2)cc1	ZINC000595810027	552618800	/nfs/dbraw/zinc/61/88/00/552618800.db2.gz	VWELNUUIDAPRDC-UHFFFAOYSA-N	1	0	356.470	1.219	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC[C@H]3COC[C@@H]3C2)CC1	ZINC000595833857	552621439	/nfs/dbraw/zinc/62/14/39/552621439.db2.gz	SHXUUHSIZKLILQ-YESZJQIVSA-N	1	0	374.510	1.425	20	30		FDEDRO
N#Cc1sccc1N1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1	ZINC000595961839	552639309	/nfs/dbraw/zinc/63/93/09/552639309.db2.gz	UVZVRWOYPKSYPZ-CQSZACIVSA-N	1	0	358.389	1.810	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1	ZINC000595989711	552641563	/nfs/dbraw/zinc/64/15/63/552641563.db2.gz	UCCJSIHPZAYULV-LJQANCHMSA-N	1	0	368.481	1.755	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]CCN2C[C@@H]3CCCCN3C2=O)cc1	ZINC000596064313	552651742	/nfs/dbraw/zinc/65/17/42/552651742.db2.gz	FTUKFMZDSCRCNR-ZWKOTPCHSA-N	1	0	372.469	1.372	20	30		FDEDRO
C[C@@]1(NC(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)CC[NH2+]C1	ZINC000596128793	552658256	/nfs/dbraw/zinc/65/82/56/552658256.db2.gz	NJWKMGLZUDHBDH-LJQANCHMSA-N	1	0	365.393	1.552	20	30		FDEDRO
N#Cc1ccnc(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1[N+](=O)[O-]	ZINC000596422173	552677649	/nfs/dbraw/zinc/67/76/49/552677649.db2.gz	CBTIGGMEJMEVFC-MRXNPFEDSA-N	1	0	353.382	2.040	20	30		FDEDRO
CN(C(=O)NCCc1ccc(C#N)cc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000596670944	552699471	/nfs/dbraw/zinc/69/94/71/552699471.db2.gz	GHYVYNANRWHMNV-FQEVSTJZSA-N	1	0	369.513	1.911	20	30		FDEDRO
Cn1ccnc1COCC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000596973937	552730433	/nfs/dbraw/zinc/73/04/33/552730433.db2.gz	NMLXREZMOPCDQB-UHFFFAOYSA-N	1	0	355.442	1.399	20	30		FDEDRO
C[C@@H](CC#N)C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000597023091	552736142	/nfs/dbraw/zinc/73/61/42/552736142.db2.gz	ZSKMFVMGXRYJRG-ZWKOTPCHSA-N	1	0	355.486	1.992	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CCCCC1	ZINC000597167954	552756620	/nfs/dbraw/zinc/75/66/20/552756620.db2.gz	BVDUKGMLMXJVGG-SFHVURJKSA-N	1	0	368.481	1.967	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)c1ccc(C#N)cc1	ZINC000597183683	552758673	/nfs/dbraw/zinc/75/86/73/552758673.db2.gz	COQGWXGPNZZGKE-HNNXBMFYSA-N	1	0	368.481	1.974	20	30		FDEDRO
CC(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@](F)(C#N)C1	ZINC000597332925	552776330	/nfs/dbraw/zinc/77/63/30/552776330.db2.gz	UVDOMHSVUCIUFT-VKJFTORMSA-N	1	0	362.453	1.912	20	30		FDEDRO
CC[C@H](NC(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CC1	ZINC000597351770	552778489	/nfs/dbraw/zinc/77/84/89/552778489.db2.gz	BXKSRMTVGKTBDF-IBGZPJMESA-N	1	0	368.481	1.944	20	30		FDEDRO
N#CCC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)CC1	ZINC000597386317	552782707	/nfs/dbraw/zinc/78/27/07/552782707.db2.gz	OCPGLDJCZMQJSB-IBGZPJMESA-N	1	0	368.481	1.526	20	30		FDEDRO
C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)CC3(C#N)CCOCC3)nc2)C1	ZINC000597418154	552786908	/nfs/dbraw/zinc/78/69/08/552786908.db2.gz	FQLXUKLQRZGHCA-INIZCTEOSA-N	1	0	357.458	1.871	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)c1	ZINC000597621630	552813024	/nfs/dbraw/zinc/81/30/24/552813024.db2.gz	YUOOCKXIHGFYEC-GOSISDBHSA-N	1	0	356.470	1.951	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC2(C#N)CCCCC2)CC1=O	ZINC000598304333	552884555	/nfs/dbraw/zinc/88/45/55/552884555.db2.gz	KGYXBSCZZAQKNK-IRXDYDNUSA-N	1	0	360.502	1.909	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC2(C#N)CCCCC2)CC1=O	ZINC000598304331	552884571	/nfs/dbraw/zinc/88/45/71/552884571.db2.gz	KGYXBSCZZAQKNK-DLBZAZTESA-N	1	0	360.502	1.909	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1	ZINC000598343871	552887798	/nfs/dbraw/zinc/88/77/98/552887798.db2.gz	XCRMXVLPRFVHBG-OAHLLOKOSA-N	1	0	364.471	1.011	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1	ZINC000598511432	552904181	/nfs/dbraw/zinc/90/41/81/552904181.db2.gz	RCWAVZRMCRFEJI-IBGZPJMESA-N	1	0	362.433	1.679	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CCO1	ZINC000598540556	552907446	/nfs/dbraw/zinc/90/74/46/552907446.db2.gz	PNMMLXVENMAFHB-RTBURBONSA-N	1	0	354.454	1.810	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000598543405	552907691	/nfs/dbraw/zinc/90/76/91/552907691.db2.gz	MNLNTEBJOXUDLV-INIZCTEOSA-N	1	0	361.442	1.515	20	30		FDEDRO
C[C@@H]1[C@H](C)[N@H+](C[C@@H](O)CC(C)(C)C#N)CCN1C[C@H](O)CC(C)(C)C#N	ZINC000598628484	552918067	/nfs/dbraw/zinc/91/80/67/552918067.db2.gz	OGIDHGDBWBYWMP-USTZCAOPSA-N	1	0	364.534	1.983	20	30		FDEDRO
C[NH+](C)C1CC(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1	ZINC000598718529	552928005	/nfs/dbraw/zinc/92/80/05/552928005.db2.gz	KEFZVJQJUBHEHG-DNOWBOINSA-N	1	0	360.845	1.773	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1	ZINC000598723303	552928321	/nfs/dbraw/zinc/92/83/21/552928321.db2.gz	GEDYYQAQRSXGGD-INIZCTEOSA-N	1	0	351.472	1.617	20	30		FDEDRO
CN(CC[NH2+]C[C@@H](O)CC(C)(C)C#N)S(=O)(=O)c1ccc(F)cc1	ZINC000598725729	552928473	/nfs/dbraw/zinc/92/84/73/552928473.db2.gz	ZCXDTCDJVUSQIW-AWEZNQCLSA-N	1	0	357.451	1.337	20	30		FDEDRO
CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]C[C@H](O)CC(C)(C)C#N)s1	ZINC000598729087	552928596	/nfs/dbraw/zinc/92/85/96/552928596.db2.gz	ZENCVXDPUXFFDE-GRYCIOLGSA-N	1	0	353.492	1.954	20	30		FDEDRO
N#Cc1cccc(NC(=O)N2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1	ZINC000598914143	552944209	/nfs/dbraw/zinc/94/42/09/552944209.db2.gz	ZWOLVWQITVZBNW-DLBZAZTESA-N	1	0	368.441	1.310	20	30		FDEDRO
N#CC1(C[C@@H](O)CN2CC[NH+](CCc3ccccc3)CC2)CCOCC1	ZINC000599256388	553005103	/nfs/dbraw/zinc/00/51/03/553005103.db2.gz	ZECQSOMHAMZFCC-HXUWFJFHSA-N	1	0	357.498	1.918	20	30		FDEDRO
CC(C)[C@@H](C)NC(=O)C1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1	ZINC000599277284	553012427	/nfs/dbraw/zinc/01/24/27/553012427.db2.gz	KWVVQMATBBHVAA-AEFFLSMTSA-N	1	0	365.518	1.930	20	30		FDEDRO
CCN(C[C@H](O)COc1ccccc1C#N)[C@@H](C)CS(=O)(=O)CC	ZINC000599293131	553017662	/nfs/dbraw/zinc/01/76/62/553017662.db2.gz	OHKRCTPIKZUDPN-HOCLYGCPSA-N	1	0	354.472	1.443	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)CCOCC1	ZINC000599302470	553020774	/nfs/dbraw/zinc/02/07/74/553020774.db2.gz	CYYCIGRRMOEULG-MSOLQXFVSA-N	1	0	351.491	1.244	20	30		FDEDRO
C[C@]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)(C(N)=O)c1cccc(Cl)c1	ZINC000599330136	553029164	/nfs/dbraw/zinc/02/91/64/553029164.db2.gz	HONGUVGGAMMXGT-NVXWUHKLSA-N	1	0	365.861	1.701	20	30		FDEDRO
COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CC#CCN1C(=O)c2ccccc2C1=O	ZINC000599341958	553032251	/nfs/dbraw/zinc/03/22/51/553032251.db2.gz	FQDKIRVRBNVMDS-LAUBAEHRSA-N	1	0	368.433	1.998	20	30		FDEDRO
CNC(=O)C[C@@H]([NH2+]C[C@H](O)COc1ccccc1C#N)c1ccccc1	ZINC000599393736	553044031	/nfs/dbraw/zinc/04/40/31/553044031.db2.gz	LSDPAINVCZTDDI-ZWKOTPCHSA-N	1	0	353.422	1.765	20	30		FDEDRO
COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2C[C@@H](O)COc2ccccc2C#N)O1	ZINC000599404627	553048137	/nfs/dbraw/zinc/04/81/37/553048137.db2.gz	MSOBDQQRJHIAHJ-XYNXIRJESA-N	1	0	374.437	1.481	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CCCC[N@H+](C)C1	ZINC000599414783	553052031	/nfs/dbraw/zinc/05/20/31/553052031.db2.gz	IHAFBIIPFSTHTQ-AWEZNQCLSA-N	1	0	365.455	1.355	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)CCOCC1	ZINC000599427845	553054574	/nfs/dbraw/zinc/05/45/74/553054574.db2.gz	YCANIPQUFMSBIF-RTBURBONSA-N	1	0	371.481	1.491	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1	ZINC000599488738	553071231	/nfs/dbraw/zinc/07/12/31/553071231.db2.gz	CXXGCJYDAYTZDH-QGZVFWFLSA-N	1	0	364.534	1.332	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)CC1(C)COC1	ZINC000599571540	553092351	/nfs/dbraw/zinc/09/23/51/553092351.db2.gz	KUKSYKSFCVVRND-UHFFFAOYSA-N	1	0	362.474	1.920	20	30		FDEDRO
N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H]3COCC[NH2+]3)cn2)cc1	ZINC000599601713	553100345	/nfs/dbraw/zinc/10/03/45/553100345.db2.gz	ZZISQMLUBTWXHP-HNNXBMFYSA-N	1	0	353.382	1.855	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)C1=O	ZINC000599629439	553107730	/nfs/dbraw/zinc/10/77/30/553107730.db2.gz	GAVWUFUOTMSMKS-YCPHGPKFSA-N	1	0	370.434	1.945	20	30		FDEDRO
N#Cc1cccc(Oc2ccc(NC(=O)NCC[N@H+]3CC[C@H](O)C3)cn2)c1	ZINC000599720214	553130006	/nfs/dbraw/zinc/13/00/06/553130006.db2.gz	XGUCFLOZBRVFMG-INIZCTEOSA-N	1	0	367.409	1.934	20	30		FDEDRO
COc1cc(NC(=O)N2C[C@@H](C)N(CCO)C[C@H]2C)c(F)cc1C#N	ZINC000599808651	553153280	/nfs/dbraw/zinc/15/32/80/553153280.db2.gz	QALFKTCHNYQMHB-VXGBXAGGSA-N	1	0	350.394	1.625	20	30		FDEDRO
COc1cc(NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c(F)cc1C#N	ZINC000599810560	553153901	/nfs/dbraw/zinc/15/39/01/553153901.db2.gz	VTOUOFCTUQXZBJ-CYBMUJFWSA-N	1	0	350.394	1.674	20	30		FDEDRO
C[NH2+]CCOCCNC(=O)NC1CCC(Oc2ncccc2C#N)CC1	ZINC000599917283	553173855	/nfs/dbraw/zinc/17/38/55/553173855.db2.gz	IICNGRGTRLKLRK-UHFFFAOYSA-N	1	0	361.446	1.178	20	30		FDEDRO
C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[NH2+]1	ZINC000599919917	553174360	/nfs/dbraw/zinc/17/43/60/553174360.db2.gz	XKBVXRKRNKKYEQ-UKPHBRMFSA-N	1	0	355.442	1.493	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)cc1C#N	ZINC000599938920	553178756	/nfs/dbraw/zinc/17/87/56/553178756.db2.gz	JZMDBIGTSAAFGR-QWHCGFSZSA-N	1	0	360.389	1.387	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](C(=O)N3CC[C@@H]([N@@H+]4CC[C@@H](O)C4)C3)C2)c(F)c1	ZINC000599940108	553179948	/nfs/dbraw/zinc/17/99/48/553179948.db2.gz	LFFQZXUPWFWLTG-GVDBMIGSSA-N	1	0	372.444	1.191	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)c(F)cc1C#N	ZINC000599966673	553188166	/nfs/dbraw/zinc/18/81/66/553188166.db2.gz	RZWZHIBTUQWWAD-UHFFFAOYSA-N	1	0	362.405	1.587	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c(F)cc1C#N	ZINC000599970474	553189197	/nfs/dbraw/zinc/18/91/97/553189197.db2.gz	PIGJMXVASLBAKN-CYBMUJFWSA-N	1	0	360.389	1.340	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(F)cc1C#N	ZINC000599971480	553189403	/nfs/dbraw/zinc/18/94/03/553189403.db2.gz	BOUOAUWWCXMWRE-MLGOLLRUSA-N	1	0	374.416	1.587	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)n(CCC#N)n1	ZINC000600062432	553211089	/nfs/dbraw/zinc/21/10/89/553211089.db2.gz	KHFSMSBYTUJCEY-HNNXBMFYSA-N	1	0	358.446	1.177	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]CC1(N2CCOCC2)CCCCC1	ZINC000600713634	553305923	/nfs/dbraw/zinc/30/59/23/553305923.db2.gz	DEPGADHXRFYGRL-IBGZPJMESA-N	1	0	373.497	1.923	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCCNC(=O)c1ccccc1	ZINC000600723054	553306970	/nfs/dbraw/zinc/30/69/70/553306970.db2.gz	MCUWVCQVQHMGCC-SFHVURJKSA-N	1	0	353.422	1.708	20	30		FDEDRO
CC(=O)N1CCN(c2ccccc2C[NH2+]C[C@@H](O)CC2(C#N)CC2)CC1	ZINC000600721256	553307007	/nfs/dbraw/zinc/30/70/07/553307007.db2.gz	BTAYRCZNZUNSDC-SFHVURJKSA-N	1	0	356.470	1.499	20	30		FDEDRO
C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C(=O)N1c1ccccc1	ZINC000600724441	553307614	/nfs/dbraw/zinc/30/76/14/553307614.db2.gz	OKBGIDSNPYWOPA-NJAFHUGGSA-N	1	0	357.454	1.841	20	30		FDEDRO
COC(=O)COc1cccc(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)c1	ZINC000600729329	553308364	/nfs/dbraw/zinc/30/83/64/553308364.db2.gz	XVFISPIIWDJROH-MRXNPFEDSA-N	1	0	362.426	1.399	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]CCCNC(=O)c2cccc(F)c2)CCOCC1	ZINC000600728980	553308497	/nfs/dbraw/zinc/30/84/97/553308497.db2.gz	WCQZQDXLIFDIRP-KRWDZBQOSA-N	1	0	363.433	1.607	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCCc2c1cnn2CCO	ZINC000600740671	553309636	/nfs/dbraw/zinc/30/96/36/553309636.db2.gz	ZXRZGWPGXCQLCT-DOTOQJQBSA-N	1	0	356.426	1.154	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)CCOCC1	ZINC000600750462	553310979	/nfs/dbraw/zinc/31/09/79/553310979.db2.gz	WLTUOZNRQGUZMC-NSHGMRRFSA-N	1	0	362.445	1.953	20	30		FDEDRO
CN1C(=O)c2ccccc2[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1	ZINC000600754759	553311474	/nfs/dbraw/zinc/31/14/74/553311474.db2.gz	HZROLPSCHOMDBP-BEFAXECRSA-N	1	0	351.406	1.714	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1=O	ZINC000600762334	553312515	/nfs/dbraw/zinc/31/25/15/553312515.db2.gz	QRPUFPVOYHCHDT-UKRRQHHQSA-N	1	0	368.840	1.380	20	30		FDEDRO
N#CCc1ccccc1S(=O)(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1	ZINC000601341937	553379951	/nfs/dbraw/zinc/37/99/51/553379951.db2.gz	MCSLYZORZDMHCD-WMZOPIPTSA-N	1	0	363.483	1.660	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](C[NH3+])Cc2ccccc21	ZINC000601352209	553383273	/nfs/dbraw/zinc/38/32/73/553383273.db2.gz	ULSPXCVJWHDWBW-CQSZACIVSA-N	1	0	357.435	1.893	20	30		FDEDRO
Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@H](C)CCN1CC[NH+](C)CC1	ZINC000601397185	553393760	/nfs/dbraw/zinc/39/37/60/553393760.db2.gz	KWFKWQLIZOSZMZ-CQSZACIVSA-N	1	0	368.478	1.310	20	30		FDEDRO
C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000601575899	553438507	/nfs/dbraw/zinc/43/85/07/553438507.db2.gz	SLUKLVYUNDVETI-PSASIEDQSA-N	1	0	351.204	1.207	20	30		FDEDRO
C=C(C)C[C@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)C(=O)OC	ZINC000601783886	553474916	/nfs/dbraw/zinc/47/49/16/553474916.db2.gz	ZAIQOFLHTGLGBJ-INIZCTEOSA-N	1	0	360.458	1.218	20	30		FDEDRO
CS(=O)(=O)C1(C[NH2+]C[C@@H](O)COc2ccccc2C#N)CCCCC1	ZINC000601957094	553495943	/nfs/dbraw/zinc/49/59/43/553495943.db2.gz	DTWRWWGNLXLJQM-MRXNPFEDSA-N	1	0	366.483	1.635	20	30		FDEDRO
N#CC1(C[C@H](O)CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)CC1	ZINC000601957962	553496071	/nfs/dbraw/zinc/49/60/71/553496071.db2.gz	KQCZKSXRZVQOBG-YESZJQIVSA-N	1	0	353.422	1.158	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1c2c(ccc1F)OCO2	ZINC000602037277	553505699	/nfs/dbraw/zinc/50/56/99/553505699.db2.gz	YRHYWXTXOBGIHT-UHFFFAOYSA-N	1	0	364.377	1.187	20	30		FDEDRO
N#Cc1cc(F)cc(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1	ZINC000602041357	553506575	/nfs/dbraw/zinc/50/65/75/553506575.db2.gz	JSNHPRCVBPDBDE-AWEZNQCLSA-N	1	0	374.416	1.207	20	30		FDEDRO
N#CCN1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)CC1	ZINC000602105469	553519847	/nfs/dbraw/zinc/51/98/47/553519847.db2.gz	YASGEZAGEGAGIH-PZJWPPBQSA-N	1	0	368.481	1.193	20	30		FDEDRO
C[NH+](C)CCn1c2cc(C(=O)N3CCSC[C@@H]3C#N)ccc2[nH]c1=O	ZINC000602132214	553524912	/nfs/dbraw/zinc/52/49/12/553524912.db2.gz	IOBNBGGSNZACCR-ZDUSSCGKSA-N	1	0	359.455	1.385	20	30		FDEDRO
C[NH+](C)C[C@@H](NC(=O)NCC(=O)NCC#N)c1cccc(C(F)(F)F)c1	ZINC000602315414	553562141	/nfs/dbraw/zinc/56/21/41/553562141.db2.gz	YEFRUFZTDRQYLG-CYBMUJFWSA-N	1	0	371.363	1.247	20	30		FDEDRO
N#Cc1cccc(C[NH2+]C[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)n1	ZINC000602575859	553607467	/nfs/dbraw/zinc/60/74/67/553607467.db2.gz	HIAZBZGPVMIYJA-VQTJNVASSA-N	1	0	361.449	1.642	20	30		FDEDRO
Cc1cc(N2CCC[C@@H](N3CC[NH+](C[C@H](C)CCC#N)CC3)C2=O)n(C)n1	ZINC000602598593	553609695	/nfs/dbraw/zinc/60/96/95/553609695.db2.gz	XIJXVQFXARTVTH-SJLPKXTDSA-N	1	0	372.517	1.781	20	30		FDEDRO
COc1cccc(OC)c1OC[C@H](O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1	ZINC000602856530	553651739	/nfs/dbraw/zinc/65/17/39/553651739.db2.gz	MYBLCJWWGNBONJ-OWCLPIDISA-N	1	0	363.458	1.362	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[N@H+](CCN1CCOCC1)[C@@H]1CCSC1	ZINC000602881263	553658912	/nfs/dbraw/zinc/65/89/12/553658912.db2.gz	LCIKQKULOLPRMI-IAGOWNOFSA-N	1	0	368.547	1.134	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C[NH2+][C@H]([C@H]2CCCO2)C2(CO)CCC2)c1	ZINC000602888727	553661094	/nfs/dbraw/zinc/66/10/94/553661094.db2.gz	BRYWSYUJFVANDJ-IEBWSBKVSA-N	1	0	357.454	1.474	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](N3CCO[C@H](Cn4ccnn4)C3)C2=O)cc1	ZINC000602909321	553666591	/nfs/dbraw/zinc/66/65/91/553666591.db2.gz	STEAVLJKAHHEOX-ROUUACIJSA-N	1	0	366.425	1.046	20	30		FDEDRO
Cc1ccc(C(=O)NC2CC[NH+](CCC(=O)N(C)CCC#N)CC2)cc1	ZINC000602932032	553672068	/nfs/dbraw/zinc/67/20/68/553672068.db2.gz	PBCNQZPVONMZKU-UHFFFAOYSA-N	1	0	356.470	1.951	20	30		FDEDRO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1	ZINC000602935392	553673677	/nfs/dbraw/zinc/67/36/77/553673677.db2.gz	LXSIAPMXQSNTON-WMUIEFFTSA-N	1	0	374.485	1.290	20	30		FDEDRO
COC[C@@]1(C(=O)OC(C)(C)C)CC[N@H+](CCC(=O)N(C)CCC#N)C1	ZINC000602961321	553681341	/nfs/dbraw/zinc/68/13/41/553681341.db2.gz	NMGPSPNIUZFOQP-GOSISDBHSA-N	1	0	353.463	1.429	20	30		FDEDRO
CO[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@@](C)(CO)C1	ZINC000602964281	553681567	/nfs/dbraw/zinc/68/15/67/553681567.db2.gz	OFZIFBNKPFBPKW-KZULUSFZSA-N	1	0	363.483	1.909	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(CCO)(CCO)CC3)C2=O)cc1	ZINC000602966635	553682309	/nfs/dbraw/zinc/68/23/09/553682309.db2.gz	MHUJGHHQKCYVMP-LJQANCHMSA-N	1	0	371.481	1.901	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)c1	ZINC000603031348	553697873	/nfs/dbraw/zinc/69/78/73/553697873.db2.gz	ALJKGTKYHZDTAN-SFHVURJKSA-N	1	0	371.485	1.785	20	30		FDEDRO
Cc1cc(NC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)ncc1C#N	ZINC000603120241	553712355	/nfs/dbraw/zinc/71/23/55/553712355.db2.gz	MXFHJBRSKYWECQ-NVXWUHKLSA-N	1	0	356.474	1.751	20	30		FDEDRO
N#Cc1ccc(NC(=O)Cn2cc(C[C@@H]3CCC[NH2+]C3)nn2)cc1Cl	ZINC000603173496	553721893	/nfs/dbraw/zinc/72/18/93/553721893.db2.gz	XDHPNRIABXLAKX-LBPRGKRZSA-N	1	0	358.833	1.984	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](n3cc([C@@H]4CCC[NH2+]C4)nn3)C2=O)cc1	ZINC000603233475	553737467	/nfs/dbraw/zinc/73/74/67/553737467.db2.gz	ABLKXEPDCUEKQM-QAPCUYQASA-N	1	0	350.426	1.985	20	30		FDEDRO
CN(CCC[NH3+])Cc1cn(Cc2ccc(C#N)cc2C(F)(F)F)nn1	ZINC000603250945	553743035	/nfs/dbraw/zinc/74/30/35/553743035.db2.gz	MTBGGGHAUKSOLU-UHFFFAOYSA-N	1	0	352.364	1.997	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)CCn1ccnc1	ZINC000603274219	553749802	/nfs/dbraw/zinc/74/98/02/553749802.db2.gz	SQGNGWVQADAVCI-UHFFFAOYSA-N	1	0	361.471	1.148	20	30		FDEDRO
C[NH+](C)[C@H](CNc1ccc(C#N)cc1CS(N)(=O)=O)Cc1ccccc1	ZINC000603276463	553751034	/nfs/dbraw/zinc/75/10/34/553751034.db2.gz	NALRMBUJTLLZSE-SFHVURJKSA-N	1	0	372.494	1.932	20	30		FDEDRO
COCCOCc1cc(C#N)ccc1N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000603308713	553761206	/nfs/dbraw/zinc/76/12/06/553761206.db2.gz	NNSMAQJYZMXCFH-GOSISDBHSA-N	1	0	359.470	1.880	20	30		FDEDRO
CCN(CCC[NH+]1CCCC1)c1ccc(C#N)cc1CS(N)(=O)=O	ZINC000603351852	553769194	/nfs/dbraw/zinc/76/91/94/553769194.db2.gz	GDASPWLPGCBSEU-UHFFFAOYSA-N	1	0	350.488	1.659	20	30		FDEDRO
COC(=O)[C@@H]1CN(c2cc(C#N)c(Br)cn2)CC[N@H+](C)C1	ZINC000603399082	553779883	/nfs/dbraw/zinc/77/98/83/553779883.db2.gz	GTZORSALROBWKO-NSHDSACASA-N	1	0	353.220	1.257	20	30		FDEDRO
C[N@@H+]1CCCN(CCCNS(=O)(=O)Cc2ccc(F)cc2C#N)CC1	ZINC000603402483	553780374	/nfs/dbraw/zinc/78/03/74/553780374.db2.gz	JXOJNYZULDQEBG-UHFFFAOYSA-N	1	0	368.478	1.144	20	30		FDEDRO
C[N@@H+]1CCCN(CCCNS(=O)(=O)c2cccc(Cl)c2C#N)CC1	ZINC000603402579	553780505	/nfs/dbraw/zinc/78/05/05/553780505.db2.gz	LNXHLHDIMNOVJF-UHFFFAOYSA-N	1	0	370.906	1.518	20	30		FDEDRO
N#CC[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1	ZINC000603436763	553788558	/nfs/dbraw/zinc/78/85/58/553788558.db2.gz	RIPVAFAZQVICOB-OKZBNKHCSA-N	1	0	363.506	1.165	20	30		FDEDRO
C[NH+]1CCN(CCCCNS(=O)(=O)Cc2ccc(C#N)cc2)CC1	ZINC000603631551	553807962	/nfs/dbraw/zinc/80/79/62/553807962.db2.gz	NCGKZQIVMKWJOG-UHFFFAOYSA-N	1	0	350.488	1.005	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCCN1C(=O)CCC1=O	ZINC000604482231	553880468	/nfs/dbraw/zinc/88/04/68/553880468.db2.gz	OCDKRKUOVHYKBJ-UHFFFAOYSA-N	1	0	370.453	1.378	20	30		FDEDRO
CCCNC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000604522131	553884074	/nfs/dbraw/zinc/88/40/74/553884074.db2.gz	WWXWBGHRCYWPPQ-QZTJIDSGSA-N	1	0	359.470	1.731	20	30		FDEDRO
N#Cc1ccc(NCC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cc1	ZINC000608838867	554323503	/nfs/dbraw/zinc/32/35/03/554323503.db2.gz	GJIPSOYBQIQILX-UHFFFAOYSA-N	1	0	356.470	1.931	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1	ZINC000609114937	554338669	/nfs/dbraw/zinc/33/86/69/554338669.db2.gz	SOPXOWHELDQAJO-MOPGFXCFSA-N	1	0	356.470	1.754	20	30		FDEDRO
C=C(C)C[NH+]1CCC(Nc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1	ZINC000609269289	554353758	/nfs/dbraw/zinc/35/37/58/554353758.db2.gz	VZHFCGOUIDVBRX-UHFFFAOYSA-N	1	0	354.432	1.695	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1	ZINC000609286048	554359467	/nfs/dbraw/zinc/35/94/67/554359467.db2.gz	WDKRAJISOPNBHX-XUVXKRRUSA-N	1	0	368.481	1.585	20	30		FDEDRO
CCNC(=O)COc1ccc(C[NH2+]C2CCN(CC#N)CC2)cc1OC	ZINC000609335072	554367223	/nfs/dbraw/zinc/36/72/23/554367223.db2.gz	SJPIPDODHZNXAI-UHFFFAOYSA-N	1	0	360.458	1.288	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)cc1	ZINC000609553512	554392407	/nfs/dbraw/zinc/39/24/07/554392407.db2.gz	VUDSBFGCFYEDEP-RTBURBONSA-N	1	0	371.481	1.827	20	30		FDEDRO
CCN(CCC#N)C(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C	ZINC000609599956	554399638	/nfs/dbraw/zinc/39/96/38/554399638.db2.gz	CGCSTLZJVNDKTL-UHFFFAOYSA-N	1	0	352.442	1.939	20	30		FDEDRO
C[C@H](CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)C[NH+]1CCN(C)CC1	ZINC000609623891	554404261	/nfs/dbraw/zinc/40/42/61/554404261.db2.gz	FSLKZICNJAGYOS-YLJYHZDGSA-N	1	0	369.513	1.527	20	30		FDEDRO
CN1CCC([N@@H+]2CC[C@H](NC(=O)NCc3ccc(C#N)cc3F)C2)CC1	ZINC000609639731	554407270	/nfs/dbraw/zinc/40/72/70/554407270.db2.gz	MVYREWMKJZEFLL-INIZCTEOSA-N	1	0	359.449	1.665	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C	ZINC000610451788	554509513	/nfs/dbraw/zinc/50/95/13/554509513.db2.gz	JOXBKGDTJPLNGY-IAGOWNOFSA-N	1	0	358.486	1.983	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C	ZINC000610451789	554509540	/nfs/dbraw/zinc/50/95/40/554509540.db2.gz	JOXBKGDTJPLNGY-IRXDYDNUSA-N	1	0	358.486	1.983	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)C1CC[NH+](C)CC1	ZINC000610684737	554549676	/nfs/dbraw/zinc/54/96/76/554549676.db2.gz	NGORSESHJWGKHA-GJZGRUSLSA-N	1	0	371.489	1.299	20	30		FDEDRO
COC1CC[NH+](CCNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1	ZINC000610870338	554573190	/nfs/dbraw/zinc/57/31/90/554573190.db2.gz	CDRYMBHNNKASFL-UHFFFAOYSA-N	1	0	364.833	1.377	20	30		FDEDRO
C[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000611544837	554644545	/nfs/dbraw/zinc/64/45/45/554644545.db2.gz	ZCZWKJBUDPTWBQ-DOTOQJQBSA-N	1	0	355.442	1.447	20	30		FDEDRO
CN(C)C(=O)CC1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000611575630	554648420	/nfs/dbraw/zinc/64/84/20/554648420.db2.gz	ROBKHZKUBYHCNK-GOSISDBHSA-N	1	0	359.470	1.683	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1	ZINC000612727183	554831637	/nfs/dbraw/zinc/83/16/37/554831637.db2.gz	TXFKKLONRSTTQY-DLBZAZTESA-N	1	0	359.474	1.631	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1	ZINC000615421415	555200284	/nfs/dbraw/zinc/20/02/84/555200284.db2.gz	BJJMATLSMDFWDR-OAHLLOKOSA-N	1	0	358.442	1.884	20	30		FDEDRO
N#C[C@]1(F)CCN(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C1	ZINC000615592563	555217046	/nfs/dbraw/zinc/21/70/46/555217046.db2.gz	RMUHEAHFDIOLMJ-LJQANCHMSA-N	1	0	360.433	1.790	20	30		FDEDRO
C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CCc2cc(C#N)ccc21	ZINC000618852168	555688989	/nfs/dbraw/zinc/68/89/89/555688989.db2.gz	SHDRHAZROKVSLT-HNAYVOBHSA-N	1	0	355.486	1.871	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)o1	ZINC000619429425	555775101	/nfs/dbraw/zinc/77/51/01/555775101.db2.gz	IWXWVEOCHCOYLE-HOTGVXAUSA-N	1	0	357.458	1.814	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)CC2)o1	ZINC000619435609	555776429	/nfs/dbraw/zinc/77/64/29/555776429.db2.gz	HFLSCCOHKGQBGV-MRXNPFEDSA-N	1	0	357.458	1.672	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1	ZINC000619683432	555821509	/nfs/dbraw/zinc/82/15/09/555821509.db2.gz	NVJKFFFTQLOIPU-GFCCVEGCSA-N	1	0	370.331	1.606	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](CCC)C2)cc1	ZINC000619892399	555852838	/nfs/dbraw/zinc/85/28/38/555852838.db2.gz	HZXUWZRLFYWPJS-HNNXBMFYSA-N	1	0	351.472	1.365	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1	ZINC000622026711	556205166	/nfs/dbraw/zinc/20/51/66/556205166.db2.gz	PRQNQAOMJRTMKI-OXQOHEQNSA-N	1	0	357.454	1.550	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCO[C@H](CCF)C1	ZINC000624839749	556652205	/nfs/dbraw/zinc/65/22/05/556652205.db2.gz	JPQZMQPHTNLDSM-OAGGEKHMSA-N	1	0	365.453	1.565	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCS[C@@H]2COCC[C@@H]21	ZINC000625220175	556745852	/nfs/dbraw/zinc/74/58/52/556745852.db2.gz	HNKQJLTXFWLCKY-DLBZAZTESA-N	1	0	356.447	1.492	20	30		FDEDRO
CC(C)(C)CNC(=O)C(C)(C)[NH2+]CC#CCN1C(=O)c2ccccc2C1=O	ZINC000625282228	556763762	/nfs/dbraw/zinc/76/37/62/556763762.db2.gz	YLQCQXSHZYITDP-UHFFFAOYSA-N	1	0	369.465	1.817	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN(CC#CCN1C(=O)c3ccccc3C1=O)CCO2	ZINC000625508557	556833735	/nfs/dbraw/zinc/83/37/35/556833735.db2.gz	BPBIPZWZKXQSDF-UHFFFAOYSA-N	1	0	367.449	1.083	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC[NH2+][C@H]2C)cc1	ZINC000625847163	556937882	/nfs/dbraw/zinc/93/78/82/556937882.db2.gz	NVKYWPOATXJPHJ-SWLSCSKDSA-N	1	0	352.460	1.365	20	30		FDEDRO
C=CCC1([NH2+]CC(=O)N2CCN(CC(=O)N(C)C)CC2)CCCCC1	ZINC000625936384	556954670	/nfs/dbraw/zinc/95/46/70/556954670.db2.gz	KCGMQVZHRNEMFV-UHFFFAOYSA-N	1	0	350.507	1.087	20	30		FDEDRO
CCC(=O)c1ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc1	ZINC000627510078	557426364	/nfs/dbraw/zinc/42/63/64/557426364.db2.gz	DHPJEIWTZPZEPR-UHFFFAOYSA-N	1	0	358.442	1.912	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC000632668734	558202397	/nfs/dbraw/zinc/20/23/97/558202397.db2.gz	LOIHOOOKLKSLEJ-INIZCTEOSA-N	1	0	351.491	1.153	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CC[NH2+]CC(C)(C)C3)cc2C1=O	ZINC000634755100	558522063	/nfs/dbraw/zinc/52/20/63/558522063.db2.gz	RGLGMVRBHKEWMN-CQSZACIVSA-N	1	0	355.438	1.977	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCC2CC[NH2+]CC2)cc1	ZINC000652643416	568049976	/nfs/dbraw/zinc/04/99/76/568049976.db2.gz	JTGKHYXSFXXGNT-UHFFFAOYSA-N	1	0	373.457	1.439	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000636833563	568124056	/nfs/dbraw/zinc/12/40/56/568124056.db2.gz	PVKPTDYRGCVPNG-IAGOWNOFSA-N	1	0	365.518	1.589	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1	ZINC000636935093	568209887	/nfs/dbraw/zinc/20/98/87/568209887.db2.gz	AKVLGIFNJPZIOP-NXHRZFHOSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000637196294	568576299	/nfs/dbraw/zinc/57/62/99/568576299.db2.gz	RFSJSPNQBFTVDE-HZPDHXFCSA-N	1	0	353.507	1.711	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000637196293	568576302	/nfs/dbraw/zinc/57/63/02/568576302.db2.gz	RFSJSPNQBFTVDE-HOTGVXAUSA-N	1	0	353.507	1.711	20	30		FDEDRO
C(=[NH+]NCc1ccc(-c2nn[nH]n2)cc1)c1ccc(N2CCOCC2)cc1	ZINC000819718986	607253051	/nfs/dbraw/zinc/25/30/51/607253051.db2.gz	WIFQVXGPZYXEHS-UHFFFAOYSA-N	1	0	363.425	1.827	20	30		FDEDRO
C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1	ZINC000735421390	598974216	/nfs/dbraw/zinc/97/42/16/598974216.db2.gz	XYWCEGQOOLBUCI-INIZCTEOSA-N	1	0	367.457	1.801	20	30		FDEDRO
C#CC[N@H+](CC#CC)CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1	ZINC000819698003	599640956	/nfs/dbraw/zinc/64/09/56/599640956.db2.gz	PNXZRVOSLOJFMT-UHFFFAOYSA-N	1	0	356.817	1.807	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000272875637	674483670	/nfs/dbraw/zinc/48/36/70/674483670.db2.gz	PPGOSBIVDWTYDG-KRWDZBQOSA-N	1	0	350.484	1.616	20	30		FDEDRO
N#CCCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1	ZINC000273091903	674504704	/nfs/dbraw/zinc/50/47/04/674504704.db2.gz	IVSIHEVFFYHFNX-UHFFFAOYSA-N	1	0	360.483	1.636	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+][C@@H](CO)c1ccc(Br)cc1	ZINC000273139302	674510325	/nfs/dbraw/zinc/51/03/25/674510325.db2.gz	TZTYDDXJPZABIX-AWEZNQCLSA-N	1	0	354.248	1.834	20	30		FDEDRO
C=CCC[C@H](O)C[NH+]1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1	ZINC000273452602	674538928	/nfs/dbraw/zinc/53/89/28/674538928.db2.gz	YHPJDXLGRGOBGS-DLBZAZTESA-N	1	0	351.878	1.811	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-c3nn[nH]n3)cc2C)c1C#N	ZINC000826083035	608022129	/nfs/dbraw/zinc/02/21/29/608022129.db2.gz	GHWKXSMENQXADG-UHFFFAOYSA-N	1	0	365.401	1.174	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1cccc(-c2nn[nH]n2)c1	ZINC000824570994	608489638	/nfs/dbraw/zinc/48/96/38/608489638.db2.gz	PDDWBIHVCAJSKV-CXAGYDPISA-N	1	0	364.409	1.829	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1cccc(-c2nn[nH]n2)c1	ZINC000824554399	608491957	/nfs/dbraw/zinc/49/19/57/608491957.db2.gz	PHZABWNDPFTEPD-CYBMUJFWSA-N	1	0	353.430	1.860	20	30		FDEDRO
C=C(Cl)CNC(=O)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1	ZINC000274547144	674593812	/nfs/dbraw/zinc/59/38/12/674593812.db2.gz	CWOIUJKAYROBTC-UHFFFAOYSA-N	1	0	366.849	1.692	20	30		FDEDRO
Cc1cc(S(=O)(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)ccc1C#N	ZINC000277700088	675007404	/nfs/dbraw/zinc/00/74/04/675007404.db2.gz	LMSBUHXLVGIFAC-OAHLLOKOSA-N	1	0	351.472	1.646	20	30		FDEDRO
Cc1cc(S(=O)(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)ccc1C#N	ZINC000278133186	675098089	/nfs/dbraw/zinc/09/80/89/675098089.db2.gz	ZPFJWXFLVOAGND-MRXNPFEDSA-N	1	0	351.472	1.382	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1	ZINC000007552357	670553056	/nfs/dbraw/zinc/55/30/56/670553056.db2.gz	UJPRGPITHTYOJH-CQSZACIVSA-N	1	0	351.472	1.117	20	30		FDEDRO
C#CCOc1ccc(Br)cc1C[NH2+]CCCS(C)(=O)=O	ZINC000041660295	670901155	/nfs/dbraw/zinc/90/11/55/670901155.db2.gz	UUNRMTYKQFEQHE-UHFFFAOYSA-N	1	0	360.273	1.985	20	30		FDEDRO
C[NH+]=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)NCC(C)C	ZINC000073277369	671400207	/nfs/dbraw/zinc/40/02/07/671400207.db2.gz	HHGOLBKFZKGXHK-UHFFFAOYSA-N	1	0	374.532	1.090	20	30		FDEDRO
C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N(C)Cc1ccc(F)cc1	ZINC000073781108	671404411	/nfs/dbraw/zinc/40/44/11/671404411.db2.gz	XIAZBFIIHDAMRN-UHFFFAOYSA-N	1	0	370.494	1.505	20	30		FDEDRO
C[NH+]=C(NC[C@@](C)(O)c1ccco1)N1CCN(Cc2cccs2)CC1	ZINC000075077012	671416712	/nfs/dbraw/zinc/41/67/12/671416712.db2.gz	UNJRTHVJDBAMGA-GOSISDBHSA-N	1	0	362.499	1.942	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCc2nc(C)c(C)s2)CC1	ZINC000286820195	675907002	/nfs/dbraw/zinc/90/70/02/675907002.db2.gz	WIAWGHRVOLSXMV-UHFFFAOYSA-N	1	0	364.515	1.575	20	30		FDEDRO
C[NH+]=C(NCc1sc(C)nc1C)N[C@@H]1CCCN(c2cnn(C)c2)C1	ZINC000089068586	671491721	/nfs/dbraw/zinc/49/17/21/671491721.db2.gz	GNZJMGWRQVQWEC-CQSZACIVSA-N	1	0	361.519	1.827	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)cc1	ZINC000287314140	675914400	/nfs/dbraw/zinc/91/44/00/675914400.db2.gz	NRSDSSDJTXADEV-OCCSQVGLSA-N	1	0	350.444	1.540	20	30		FDEDRO
C#CCOc1ccccc1C[NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1	ZINC000111405241	671632305	/nfs/dbraw/zinc/63/23/05/671632305.db2.gz	DJNOISZJNPGJNC-QGZVFWFLSA-N	1	0	366.483	1.277	20	30		FDEDRO
COC(=O)/C=C1/SCC(=O)N1CCC[N@H+](C)Cc1cccc(C#N)c1	ZINC000116105528	671655943	/nfs/dbraw/zinc/65/59/43/671655943.db2.gz	LKFNBKPBXSXVLF-LICLKQGHSA-N	1	0	359.451	1.970	20	30		FDEDRO
C[NH+]=C(NCc1c(C)nn(C)c1C)N1CCN(Cc2cccs2)CC1	ZINC000119705116	671678672	/nfs/dbraw/zinc/67/86/72/671678672.db2.gz	IMSZICXXSJNBNK-UHFFFAOYSA-N	1	0	360.531	1.992	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1cccs1	ZINC000121306313	671702751	/nfs/dbraw/zinc/70/27/51/671702751.db2.gz	JFPLWVORGOCCSG-ZIAGYGMSSA-N	1	0	372.512	1.692	20	30		FDEDRO
C#CCSCCNC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1	ZINC000121418643	671704262	/nfs/dbraw/zinc/70/42/62/671704262.db2.gz	FKSYRNXPHGMUDO-IAGOWNOFSA-N	1	0	352.548	1.553	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)cc1Cl	ZINC000134112736	671826219	/nfs/dbraw/zinc/82/62/19/671826219.db2.gz	GQKXMTPLRBUEDC-GWCFXTLKSA-N	1	0	374.894	1.793	20	30		FDEDRO
CC(C)CNS(=O)(=O)c1ccc(CNC(=[NH2+])N2CCCCC2)cc1	ZINC000134238745	671827137	/nfs/dbraw/zinc/82/71/37/671827137.db2.gz	FTQPJWQBSSZNSF-UHFFFAOYSA-N	1	0	352.504	1.922	20	30		FDEDRO
[NH2+]=C(NC[C@@H]1CCCS1(=O)=O)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000153247751	671898407	/nfs/dbraw/zinc/89/84/07/671898407.db2.gz	WUDKCFHLODTOHG-HNNXBMFYSA-N	1	0	370.906	1.354	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NCC2([NH3+])CCCCC2)ccc1F	ZINC000159469092	671991836	/nfs/dbraw/zinc/99/18/36/671991836.db2.gz	XXPSXJSBERCPJF-UHFFFAOYSA-N	1	0	369.462	1.681	20	30		FDEDRO
CNC(NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1)=[NH+]C	ZINC000161524757	672010302	/nfs/dbraw/zinc/01/03/02/672010302.db2.gz	LZGUDWODNARERG-UHFFFAOYSA-N	1	0	364.446	1.599	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)CC1	ZINC000171720718	672057959	/nfs/dbraw/zinc/05/79/59/672057959.db2.gz	SKHFMROBGQZLPS-UHFFFAOYSA-N	1	0	363.483	1.607	20	30		FDEDRO
COc1ccc(C[NH2+]C2CCN(CCS(C)(=O)=O)CC2)cc1C#N	ZINC000174374264	672093459	/nfs/dbraw/zinc/09/34/59/672093459.db2.gz	DSLDFWRAJCYTHX-UHFFFAOYSA-N	1	0	351.472	1.165	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOC1=O)NCc1ccc(OC(F)(F)F)cc1	ZINC000176968528	672119343	/nfs/dbraw/zinc/11/93/43/672119343.db2.gz	UKDOWVQYJJXFBL-UHFFFAOYSA-N	1	0	360.336	1.832	20	30		FDEDRO
C[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccc(OCC#N)cc1	ZINC000181730753	672201491	/nfs/dbraw/zinc/20/14/91/672201491.db2.gz	YNJQMFPIAIURBA-OAHLLOKOSA-N	1	0	365.499	1.749	20	30		FDEDRO
[NH2+]=C(NCc1cccc(N2CCCS2(=O)=O)c1)N1CCSCC1	ZINC000184875122	672250915	/nfs/dbraw/zinc/25/09/15/672250915.db2.gz	AMWAVCQIYMHBQH-UHFFFAOYSA-N	1	0	354.501	1.090	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1	ZINC000185201661	672257376	/nfs/dbraw/zinc/25/73/76/672257376.db2.gz	ZFCWQKUHDWBLDG-KSSFIOAISA-N	1	0	352.479	1.934	20	30		FDEDRO
COC(=O)N1CCC([C@@H](C)[NH2+]CC(=O)NC2(C#N)CCCCC2)CC1	ZINC000186415201	672272039	/nfs/dbraw/zinc/27/20/39/672272039.db2.gz	FUFZNDPUAJHRGE-CQSZACIVSA-N	1	0	350.463	1.786	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CCCCC[NH3+])cc1	ZINC000187443131	672283620	/nfs/dbraw/zinc/28/36/20/672283620.db2.gz	IXCMYSBNHHYFCE-SILNSSARSA-N	1	0	366.487	1.957	20	30		FDEDRO
CCNC(NCc1ccccc1S(=O)(=O)N1CCCCC1)=[NH+]CC	ZINC000195522252	672408120	/nfs/dbraw/zinc/40/81/20/672408120.db2.gz	GGQXBXGCYPNUSJ-UHFFFAOYSA-N	1	0	352.504	1.936	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CCCC[NH2+]2)ccc1F	ZINC000237733089	672424334	/nfs/dbraw/zinc/42/43/34/672424334.db2.gz	QJGYTRMKXJKYSK-CYBMUJFWSA-N	1	0	355.435	1.162	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCC2([NH3+])CCCCC2)cc1	ZINC000237840408	672428885	/nfs/dbraw/zinc/42/88/85/672428885.db2.gz	HGUBQBDTJJVGCK-UHFFFAOYSA-N	1	0	351.472	1.542	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1	ZINC000237908815	672430360	/nfs/dbraw/zinc/43/03/60/672430360.db2.gz	NKJDSCHKYHDUCU-KRWDZBQOSA-N	1	0	365.499	1.788	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])ccc1F	ZINC000238078448	672433150	/nfs/dbraw/zinc/43/31/50/672433150.db2.gz	VTUWXZALNYHKJR-OCCSQVGLSA-N	1	0	355.435	1.147	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1	ZINC000245202500	672439294	/nfs/dbraw/zinc/43/92/94/672439294.db2.gz	ZKPYLDDATLNTTN-CABCVRRESA-N	1	0	352.479	1.841	20	30		FDEDRO
C[C@@H](O)CC[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000245834373	672465280	/nfs/dbraw/zinc/46/52/80/672465280.db2.gz	ATOKCSSDLKAYJM-HUUCEWRRSA-N	1	0	350.488	1.160	20	30		FDEDRO
CS[C@@H]1CCCC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1	ZINC000246120021	672493193	/nfs/dbraw/zinc/49/31/93/672493193.db2.gz	QMZOVDHCUKSBMV-SJORKVTESA-N	1	0	352.548	1.896	20	30		FDEDRO
C[NH+]=C(NCc1nc(C)c(C)s1)NCC1CCN(S(C)(=O)=O)CC1	ZINC000261606254	672634226	/nfs/dbraw/zinc/63/42/26/672634226.db2.gz	DOPKEJFHXAUGGF-UHFFFAOYSA-N	1	0	373.548	1.097	20	30		FDEDRO
CC[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N1CC[C@@H](CC(C)C)C1	ZINC000261612331	672635447	/nfs/dbraw/zinc/63/54/47/672635447.db2.gz	GBNNVRUTUGNMHL-KRWDZBQOSA-N	1	0	372.579	1.992	20	30		FDEDRO
CN(C[C@@H]1CCOC1)C(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CCCC1	ZINC000261614348	672636034	/nfs/dbraw/zinc/63/60/34/672636034.db2.gz	GJSNFXIFMFJSKQ-GJZGRUSLSA-N	1	0	357.520	1.278	20	30		FDEDRO
C[NH+]=C(NCc1ccccc1Cl)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261620270	672637421	/nfs/dbraw/zinc/63/74/21/672637421.db2.gz	BGCPQCISDBMRLP-UHFFFAOYSA-N	1	0	360.849	1.498	20	30		FDEDRO
CSCC[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCc2ccccc21	ZINC000261671483	672647706	/nfs/dbraw/zinc/64/77/06/672647706.db2.gz	HAMPDIGUAYZOFV-CQSZACIVSA-N	1	0	367.540	1.792	20	30		FDEDRO
C[NH+]=C(NCCN1CCc2sccc2C1)N1CCC[C@@H](CC(N)=O)C1	ZINC000261772179	672669404	/nfs/dbraw/zinc/66/94/04/672669404.db2.gz	OEUIMKRLNMWFCG-AWEZNQCLSA-N	1	0	363.531	1.269	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CCN([C@@H](C)C(F)(F)F)CC1	ZINC000261774842	672669781	/nfs/dbraw/zinc/66/97/81/672669781.db2.gz	GXKUVNSYUWBGDP-FQUUOJAGSA-N	1	0	362.440	1.944	20	30		FDEDRO
C[NH+]=C(NCC[S@@](=O)C(C)(C)C)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000261783910	672671596	/nfs/dbraw/zinc/67/15/96/672671596.db2.gz	FPQCBBRSTAFVTI-XMMPIXPASA-N	1	0	358.552	1.440	20	30		FDEDRO
COCC1(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC[NH2+]CC1	ZINC000261957113	672701753	/nfs/dbraw/zinc/70/17/53/672701753.db2.gz	GUYAXUAOMSUAOG-UHFFFAOYSA-N	1	0	357.863	1.506	20	30		FDEDRO
CC[NH+]=C(NC[C@H]1CCCN1S(C)(=O)=O)N1CCS[C@@H](CC)C1	ZINC000261963843	672703361	/nfs/dbraw/zinc/70/33/61/672703361.db2.gz	POIUQJVPLNJKMC-KGLIPLIRSA-N	1	0	362.565	1.203	20	30		FDEDRO
Cc1nnc(CNC(=[NH+]C2CC2)N2CCN(c3cccs3)CC2)n1C	ZINC000261985880	672707058	/nfs/dbraw/zinc/70/70/58/672707058.db2.gz	QCZWUGOPGRVYNF-UHFFFAOYSA-N	1	0	359.503	1.615	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(OC)cc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261994731	672708362	/nfs/dbraw/zinc/70/83/62/672708362.db2.gz	SDMRCBQKDXRWSA-UHFFFAOYSA-N	1	0	353.488	1.670	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N1CCS(=O)(=O)C(C)(C)C1	ZINC000262000479	672709751	/nfs/dbraw/zinc/70/97/51/672709751.db2.gz	UGVZBTITGNYHRT-RRFJBIMHSA-N	1	0	369.531	1.419	20	30		FDEDRO
[NH2+]=C(NC[C@@H]1CCCS1(=O)=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000262305306	672765887	/nfs/dbraw/zinc/76/58/87/672765887.db2.gz	AHNQMBJBOKCYOW-NSHDSACASA-N	1	0	351.350	1.889	20	30		FDEDRO
CC[C@H](C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@H]([C@H]2CCOC2)C1	ZINC000262352360	672775233	/nfs/dbraw/zinc/77/52/33/672775233.db2.gz	FJQQXQMPZFIQSQ-QAETUUGQSA-N	1	0	371.547	1.524	20	30		FDEDRO
O=S1(=O)CC[C@@H](CNC(=[NH+]C2CC2)N2CCc3ccc(F)cc3C2)C1	ZINC000262401320	672783351	/nfs/dbraw/zinc/78/33/51/672783351.db2.gz	NUWYLOLKVXDCNJ-ZDUSSCGKSA-N	1	0	365.474	1.727	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CC[C@H](CN2CCOCC2)C1	ZINC000262411647	672785241	/nfs/dbraw/zinc/78/52/41/672785241.db2.gz	PKACKYCRDJSBAT-TWMKSMIVSA-N	1	0	350.507	1.029	20	30		FDEDRO
[NH2+]=C(NC[C@H]1CCS(=O)(=O)C1)Nc1cccc(OC(F)(F)F)c1	ZINC000262413475	672785576	/nfs/dbraw/zinc/78/55/76/672785576.db2.gz	YGQMQNGOKXTPOO-SECBINFHSA-N	1	0	351.350	1.747	20	30		FDEDRO
CO[C@@H]1C[C@H](NC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)C1(C)C	ZINC000262438105	672789446	/nfs/dbraw/zinc/78/94/46/672789446.db2.gz	UGOXUYIXXJDFBN-CWRNSKLLSA-N	1	0	371.547	1.712	20	30		FDEDRO
CCSc1cc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)ccn1	ZINC000262480146	672796554	/nfs/dbraw/zinc/79/65/54/672796554.db2.gz	RJMRPWKUZVOITP-UHFFFAOYSA-N	1	0	357.487	1.621	20	30		FDEDRO
CCc1ccc(CNC(=[NH+]C)N2CCN(C(=O)[C@H]3CCCO3)CC2)s1	ZINC000262578839	672810510	/nfs/dbraw/zinc/81/05/10/672810510.db2.gz	PPTJQGYIBJPXQA-MRXNPFEDSA-N	1	0	364.515	1.709	20	30		FDEDRO
C#CCSCCNC(=[NH+]C)N1CCS(=O)(=O)C2(CCCCC2)C1	ZINC000262618892	672819763	/nfs/dbraw/zinc/81/97/63/672819763.db2.gz	CFJXOOLOUZTYKR-UHFFFAOYSA-N	1	0	357.545	1.362	20	30		FDEDRO
[NH2+]=C(NCCNS(=O)(=O)c1ccc(Cl)cc1F)NC1CCCC1	ZINC000262794167	672850253	/nfs/dbraw/zinc/85/02/53/672850253.db2.gz	PEQKTIBACHDSCV-UHFFFAOYSA-N	1	0	362.858	1.604	20	30		FDEDRO
C[C@H]1CN(c2ccc(CNC(=[NH2+])N3CCOCC3)cc2F)C[C@H](C)O1	ZINC000264123987	672901799	/nfs/dbraw/zinc/90/17/99/672901799.db2.gz	VXGVUNULLRTRHO-KBPBESRZSA-N	1	0	350.438	1.586	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](c2ccsc2)N(C)C)CC1	ZINC000264134214	672902487	/nfs/dbraw/zinc/90/24/87/672902487.db2.gz	ZCQFICKHCSNCPH-OAHLLOKOSA-N	1	0	367.519	1.876	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1cccc(OCC(F)F)c1	ZINC000264271102	672906604	/nfs/dbraw/zinc/90/66/04/672906604.db2.gz	LSVLOBSLDHXCGK-UHFFFAOYSA-N	1	0	356.417	1.457	20	30		FDEDRO
C#CCOc1ccc(C[NH2+]C[C@@](O)(c2nccn2C)C(F)(F)F)cc1	ZINC000264982287	672927219	/nfs/dbraw/zinc/92/72/19/672927219.db2.gz	UVMQXBKPPJQHBA-MRXNPFEDSA-N	1	0	353.344	1.972	20	30		FDEDRO
C[C@H](O)C[N@H+](CCO)CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000289384318	676127684	/nfs/dbraw/zinc/12/76/84/676127684.db2.gz	CPFXIVMLESVXMO-LBPRGKRZSA-N	1	0	351.472	1.502	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2ccc(S(=O)(=O)CC)s2)CC1	ZINC000279463981	675298203	/nfs/dbraw/zinc/29/82/03/675298203.db2.gz	GWTIALMVRQAZIG-UHFFFAOYSA-N	1	0	371.528	1.991	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1	ZINC000281841291	675567392	/nfs/dbraw/zinc/56/73/92/675567392.db2.gz	WWPHFMTVOUGRIZ-JKSUJKDBSA-N	1	0	352.504	1.823	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1	ZINC000282593057	675637465	/nfs/dbraw/zinc/63/74/65/675637465.db2.gz	HYQYGVGRJQLVNM-MRXNPFEDSA-N	1	0	364.515	1.919	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N(C)Cc1cscn1)C(C)C	ZINC000283651969	675659574	/nfs/dbraw/zinc/65/95/74/675659574.db2.gz	AUVKFIJUVRLRFX-MRXNPFEDSA-N	1	0	364.515	1.916	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC)cc1	ZINC000284008297	675667163	/nfs/dbraw/zinc/66/71/63/675667163.db2.gz	DWSPFJMGYQUAJA-AWEZNQCLSA-N	1	0	351.472	1.893	20	30		FDEDRO
COc1ccccc1CNC(=[NH2+])NC[C@@H]1CCCC[C@@H]1NS(C)(=O)=O	ZINC000285102397	675798553	/nfs/dbraw/zinc/79/85/53/675798553.db2.gz	OSFMWNMFBTZPMU-ZFWWWQNUSA-N	1	0	368.503	1.208	20	30		FDEDRO
C=C[C@@H](CO)NC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1	ZINC000291141307	676245788	/nfs/dbraw/zinc/24/57/88/676245788.db2.gz	ZOONOJCCPGZPEV-HNNXBMFYSA-N	1	0	350.438	1.314	20	30		FDEDRO
Cn1c(NC[C@@H](c2cccs2)[NH+]2CCCC2)c(C#N)c(=O)n(C)c1=O	ZINC000292387945	676298064	/nfs/dbraw/zinc/29/80/64/676298064.db2.gz	RGDKAALRVSPRLM-ZDUSSCGKSA-N	1	0	359.455	1.266	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](CCOCCC#N)C2)cc1	ZINC000292786055	676314500	/nfs/dbraw/zinc/31/45/00/676314500.db2.gz	LBMIWOVDOXWCTE-QGZVFWFLSA-N	1	0	365.499	1.916	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@](C)(C(N)=O)C(C)C)c(OC)c1	ZINC000297312853	676425743	/nfs/dbraw/zinc/42/57/43/676425743.db2.gz	BVHFDVGLKIPLDC-BEFAXECRSA-N	1	0	350.459	1.653	20	30		FDEDRO
CN(C)S(=O)(=O)c1ccccc1CNC(=[NH2+])NCCc1ccccc1	ZINC000303771281	676542832	/nfs/dbraw/zinc/54/28/32/676542832.db2.gz	CPRVUBQYOZYWLE-UHFFFAOYSA-N	1	0	360.483	1.584	20	30		FDEDRO
CS(=O)(=O)CCCNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1	ZINC000303863620	676543334	/nfs/dbraw/zinc/54/33/34/676543334.db2.gz	AHWIFYOFSBSQRA-UHFFFAOYSA-N	1	0	358.895	1.211	20	30		FDEDRO
[NH2+]=C(NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)N1CCSCC1	ZINC000303878100	676543529	/nfs/dbraw/zinc/54/35/29/676543529.db2.gz	JAANFFSWYZWCAO-GFCCVEGCSA-N	1	0	363.405	1.809	20	30		FDEDRO
CCNS(=O)(=O)c1ccc(CNC(=[NH2+])NCCc2cccs2)cc1	ZINC000305088525	676544733	/nfs/dbraw/zinc/54/47/33/676544733.db2.gz	YSHZITLGGRGPCE-UHFFFAOYSA-N	1	0	366.512	1.693	20	30		FDEDRO
CCCNC(=[NH2+])NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1	ZINC000305722959	676545288	/nfs/dbraw/zinc/54/52/88/676545288.db2.gz	KOEXVJTWMCWBID-UHFFFAOYSA-N	1	0	353.366	1.673	20	30		FDEDRO
CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNS(=O)(=O)[C@H](C)C#N	ZINC000416608858	679690624	/nfs/dbraw/zinc/69/06/24/679690624.db2.gz	SSANQXXRTVWGHC-DJIMGWMZSA-N	1	0	351.472	1.355	20	30		FDEDRO
CS(=O)(=O)NC[C@H]1CCCN(C(=O)NCC2CC[NH+](C3CC3)CC2)C1	ZINC000328610277	676599851	/nfs/dbraw/zinc/59/98/51/676599851.db2.gz	NONOOJYPRARXRJ-OAHLLOKOSA-N	1	0	372.535	1.036	20	30		FDEDRO
O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1C[C@@H]2COC[C@H](C1)O2	ZINC000328684584	676602194	/nfs/dbraw/zinc/60/21/94/676602194.db2.gz	FDEVBGFADXOZEC-QLFBSQMISA-N	1	0	351.472	1.899	20	30		FDEDRO
COc1nnc(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)s1	ZINC000328698335	676602968	/nfs/dbraw/zinc/60/29/68/676602968.db2.gz	LQZMFGULSYOTAK-VXGBXAGGSA-N	1	0	355.464	1.641	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCCn3nc(COC)nc32)C1	ZINC000328703980	676603166	/nfs/dbraw/zinc/60/31/66/676603166.db2.gz	KIFIACXUJXEOKT-KGLIPLIRSA-N	1	0	350.467	1.495	20	30		FDEDRO
C[C@H](CO[C@H]1CCOC1)NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000328834331	676608993	/nfs/dbraw/zinc/60/89/93/676608993.db2.gz	SAAWKUNWKKBFQE-IKGGRYGDSA-N	1	0	355.479	1.139	20	30		FDEDRO
CCCS(=O)(=O)N1CCC(NC(=O)C[N@H+](C)[C@H]2CCSC2)CC1	ZINC000328845680	676609333	/nfs/dbraw/zinc/60/93/33/676609333.db2.gz	XJDODZXLBQJTEE-AWEZNQCLSA-N	1	0	363.549	1.584	20	30		FDEDRO
Cn1ncnc1[C@H]1COCCN1C(=O)NC1CCC(C[NH+](C)C)CC1	ZINC000328849161	676609507	/nfs/dbraw/zinc/60/95/07/676609507.db2.gz	BFSPNEFEKLYZNX-YMAMQOFZSA-N	1	0	350.467	1.223	20	30		FDEDRO
CC(C)N1C(=O)N[C@@H]2CN(C(=O)NCC[NH+]3CCC(C)CC3)CC[C@@H]21	ZINC000329020537	676616239	/nfs/dbraw/zinc/61/62/39/676616239.db2.gz	HSFHMDBRMPXLHT-CVEARBPZSA-N	1	0	351.495	1.713	20	30		FDEDRO
C[C@@H]1CCC[N@H+](CCNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)C1	ZINC000329036233	676616736	/nfs/dbraw/zinc/61/67/36/676616736.db2.gz	MYIDYKLRUDETIX-NTDBWNAOSA-N	1	0	353.507	1.884	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)CCSC1	ZINC000329046908	676617297	/nfs/dbraw/zinc/61/72/97/676617297.db2.gz	JSUXEWUVWDWQHW-MVJTYMMSSA-N	1	0	371.547	1.590	20	30		FDEDRO
CN1CCC2(CCCN2C(=O)NCCS(=O)(=O)c2ccccc2)CC1	ZINC000329055576	676617829	/nfs/dbraw/zinc/61/78/29/676617829.db2.gz	IAYJXDIRVOEKCF-UHFFFAOYSA-N	1	0	365.499	1.935	20	30		FDEDRO
CC(C)N1C(=O)N[C@@H]2CN(C(=O)NCC[N@@H+]3CCC[C@@H](C)C3)CC[C@@H]21	ZINC000329071429	676618415	/nfs/dbraw/zinc/61/84/15/676618415.db2.gz	YYFYPVCZHMZKOA-OAGGEKHMSA-N	1	0	351.495	1.713	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)CC1	ZINC000329102499	676620114	/nfs/dbraw/zinc/62/01/14/676620114.db2.gz	CZLGQUJOLDQZPU-SCTDSRPQSA-N	1	0	351.491	1.803	20	30		FDEDRO
C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C	ZINC000329146666	676622565	/nfs/dbraw/zinc/62/25/65/676622565.db2.gz	XIUHFQNKPZWHJI-NPJQDHAYSA-N	1	0	351.495	1.569	20	30		FDEDRO
CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CC(=O)N(C(C)C)C2)C1	ZINC000329194014	676624490	/nfs/dbraw/zinc/62/44/90/676624490.db2.gz	RRYHWYDZXKTEBM-PMPSAXMXSA-N	1	0	352.479	1.095	20	30		FDEDRO
Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCC1=CC[N@H+](C)CC1	ZINC000329222537	676626321	/nfs/dbraw/zinc/62/63/21/676626321.db2.gz	WOJOMYRYERJCPY-NSHDSACASA-N	1	0	356.448	1.177	20	30		FDEDRO
C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)C1	ZINC000329227352	676626765	/nfs/dbraw/zinc/62/67/65/676626765.db2.gz	BCMFTQLTHIXFKY-OWCLPIDISA-N	1	0	353.463	1.081	20	30		FDEDRO
O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)N[C@H]1CC[S@@](=O)C1	ZINC000329285190	676630915	/nfs/dbraw/zinc/63/09/15/676630915.db2.gz	GJVBIPCEEMQVFO-QLODZENZSA-N	1	0	365.499	1.168	20	30		FDEDRO
C[C@H](NC(=O)NC[C@]1(N2CCOCC2)CCSC1)C1=CC[N@H+](C)CC1	ZINC000329314038	676632750	/nfs/dbraw/zinc/63/27/50/676632750.db2.gz	GWIOOYSOXVSLHZ-MAUKXSAKSA-N	1	0	368.547	1.348	20	30		FDEDRO
C[C@H](C(=O)NCCc1csc(N2CCCC2)n1)N1CCN(C)CC1	ZINC000329407549	676637354	/nfs/dbraw/zinc/63/73/54/676637354.db2.gz	CMWLROWIWZAPRB-CQSZACIVSA-N	1	0	351.520	1.878	20	30		FDEDRO
CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C[C@H]1C	ZINC000329412326	676637592	/nfs/dbraw/zinc/63/75/92/676637592.db2.gz	CGGWMGGQOAJTJK-QLFBSQMISA-N	1	0	372.535	1.272	20	30		FDEDRO
Cc1nc2c(s1)[C@H](N(C)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)CCC2	ZINC000329452451	676639414	/nfs/dbraw/zinc/63/94/14/676639414.db2.gz	NHEIBQPJOVFCBP-UKRRQHHQSA-N	1	0	351.520	1.921	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)NCC(=O)N(C)C2CCCCC2)[C@@H](C)C1	ZINC000329527452	676642605	/nfs/dbraw/zinc/64/26/05/676642605.db2.gz	HWOSZUNVPWZFOI-GJZGRUSLSA-N	1	0	354.495	1.078	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C)[NH+]1CCC(C)CC1	ZINC000329541257	676643272	/nfs/dbraw/zinc/64/32/72/676643272.db2.gz	DIBGSDNEIXVBHE-ARFHVFGLSA-N	1	0	359.536	1.680	20	30		FDEDRO
CS[C@@H]1CN(CC(=O)NCC(=O)N2CCCC2)C[C@H]1[NH+]1CCCC1	ZINC000329601062	676645758	/nfs/dbraw/zinc/64/57/58/676645758.db2.gz	KLGWMNKHIIQYOP-HUUCEWRRSA-N	1	0	354.520	1.077	20	30		FDEDRO
CS[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)NC(C)C)C[C@H]1[NH+]1CCCC1	ZINC000329770818	676654794	/nfs/dbraw/zinc/65/47/94/676654794.db2.gz	GHWIDWAKFQBUKY-ARFHVFGLSA-N	1	0	368.547	1.811	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)CC[N@@H+]1C	ZINC000329784051	676655884	/nfs/dbraw/zinc/65/58/84/676655884.db2.gz	VPTZWTLVKALHKI-HUUCEWRRSA-N	1	0	357.520	1.816	20	30		FDEDRO
C[NH+]1CCN(Cc2cccc(C(=O)N[C@@H]3CCCS(=O)(=O)C3)c2)CC1	ZINC000329965953	676666132	/nfs/dbraw/zinc/66/61/32/676666132.db2.gz	UQQBRQKADDUJJA-QGZVFWFLSA-N	1	0	365.499	1.316	20	30		FDEDRO
C[C@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)C(=O)N1CCCC[C@H]1C	ZINC000330040419	676669950	/nfs/dbraw/zinc/66/99/50/676669950.db2.gz	FSVOXPWNSXENOR-JKIFEVAISA-N	1	0	356.536	1.717	20	30		FDEDRO
C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)C1	ZINC000330125594	676674409	/nfs/dbraw/zinc/67/44/09/676674409.db2.gz	BPZCNLHQRQIOGV-HUUCEWRRSA-N	1	0	374.551	1.377	20	30		FDEDRO
CO[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C[C@@H]1OC	ZINC000330171852	676676537	/nfs/dbraw/zinc/67/65/37/676676537.db2.gz	FVQRDQCVKNTIQB-VQHPVUNQSA-N	1	0	355.479	1.014	20	30		FDEDRO
COCCO[C@@H]1COCC[C@@H]1NC(=O)N1CCCC12CC[NH+](C)CC2	ZINC000330169285	676676544	/nfs/dbraw/zinc/67/65/44/676676544.db2.gz	DGJUDLPIEXXVFU-JKSUJKDBSA-N	1	0	355.479	1.281	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N2CC(=O)N(CC(F)(F)F)C2)CCCCC1	ZINC000330176839	676676667	/nfs/dbraw/zinc/67/66/67/676676667.db2.gz	KHWQAZUAFSIACT-UHFFFAOYSA-N	1	0	350.385	1.829	20	30		FDEDRO
CCC(=O)N1CC[C@@H](NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C1	ZINC000330272688	676682436	/nfs/dbraw/zinc/68/24/36/676682436.db2.gz	XYWZNAFVMWIGQZ-LSDHHAIUSA-N	1	0	352.479	1.096	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1	ZINC000330485167	676693042	/nfs/dbraw/zinc/69/30/42/676693042.db2.gz	ZTGHPEDCGFPVJI-OWCLPIDISA-N	1	0	374.551	1.282	20	30		FDEDRO
CS[C@@H]1CN(CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@H]1[NH+](C)C	ZINC000330501506	676694266	/nfs/dbraw/zinc/69/42/66/676694266.db2.gz	AILLUVUKAXLYQN-GBJTYRQASA-N	1	0	356.536	1.573	20	30		FDEDRO
CC(=O)N[C@@H]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1	ZINC000330619969	676698434	/nfs/dbraw/zinc/69/84/34/676698434.db2.gz	JCHXKJBUENJZJH-HUUCEWRRSA-N	1	0	353.467	1.138	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCN(S(=O)(=O)CC)C2)CC1	ZINC000330637541	676699125	/nfs/dbraw/zinc/69/91/25/676699125.db2.gz	BDFKAXPJZVRQKW-OAHLLOKOSA-N	1	0	357.520	1.205	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CC[NH+](CC2CCOCC2)CC1	ZINC000330836763	676705825	/nfs/dbraw/zinc/70/58/25/676705825.db2.gz	RNJOOUGIBFYJHV-QFBILLFUSA-N	1	0	350.507	1.474	20	30		FDEDRO
CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1	ZINC000330863094	676707146	/nfs/dbraw/zinc/70/71/46/676707146.db2.gz	SXBVPVCJWFCZDS-VQISRLSMSA-N	1	0	354.401	1.738	20	30		FDEDRO
C[C@@H](CNC(=O)c1c[nH]c(=O)c(Br)c1)N1CC[NH+](C)CC1	ZINC000330906846	676709106	/nfs/dbraw/zinc/70/91/06/676709106.db2.gz	SLACQEDZAKQPSA-JTQLQIEISA-N	1	0	357.252	1.490	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC[N@@H+]1C	ZINC000330914506	676710097	/nfs/dbraw/zinc/71/00/97/676710097.db2.gz	SRISVSNUTYRZRH-UKRRQHHQSA-N	1	0	364.471	1.091	20	30		FDEDRO
CCOC(=O)c1cc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)cn1C	ZINC000330993381	676713238	/nfs/dbraw/zinc/71/32/38/676713238.db2.gz	ZAVKBGFKVYTKAO-UHFFFAOYSA-N	1	0	352.435	1.136	20	30		FDEDRO
CN1CC[NH+](CCC(C)(C)NC(=O)c2csc(S(N)(=O)=O)c2)CC1	ZINC000331046162	676715172	/nfs/dbraw/zinc/71/51/72/676715172.db2.gz	UQZVEDLCYSILSE-UHFFFAOYSA-N	1	0	374.532	1.116	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](CS(C)(=O)=O)C2)C1	ZINC000331121477	676717573	/nfs/dbraw/zinc/71/75/73/676717573.db2.gz	GKVPJHIFZBYMFY-HZPDHXFCSA-N	1	0	359.536	1.635	20	30		FDEDRO
C[C@H](CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[S@](C)=O	ZINC000331124386	676717785	/nfs/dbraw/zinc/71/77/85/676717785.db2.gz	QSNHTLSGZKRESA-OETGUIPGSA-N	1	0	359.536	1.415	20	30		FDEDRO
CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCC(OC[C@@H]2CCCCO2)CC1	ZINC000331133490	676718188	/nfs/dbraw/zinc/71/81/88/676718188.db2.gz	HPFZFCSWDNUJGO-HOCLYGCPSA-N	1	0	355.479	1.864	20	30		FDEDRO
C[NH+](C)C[C@@H]1CCN(C(=O)NCc2cccc(NS(C)(=O)=O)c2)C1	ZINC000331138639	676718392	/nfs/dbraw/zinc/71/83/92/676718392.db2.gz	DOBYQOASWDIKPJ-AWEZNQCLSA-N	1	0	354.476	1.356	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)Nc2ccc([S@](C)=O)cc2)CC1(C)C	ZINC000331283835	676725635	/nfs/dbraw/zinc/72/56/35/676725635.db2.gz	WSFDTFYGSMYBJF-DEOSSOPVSA-N	1	0	352.504	1.776	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)C[C@H]1C	ZINC000331301426	676726524	/nfs/dbraw/zinc/72/65/24/676726524.db2.gz	VDIKYBADGBZYRF-BXUZGUMPSA-N	1	0	372.466	1.823	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(S(=O)(=O)CC(C)(C)CC#N)CC2)c1	ZINC000331315071	676726941	/nfs/dbraw/zinc/72/69/41/676726941.db2.gz	IVKUOWIKCJBPPT-UHFFFAOYSA-N	1	0	352.460	1.482	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000332687287	676744198	/nfs/dbraw/zinc/74/41/98/676744198.db2.gz	ONTVGGHIAUJKNF-SQNIBIBYSA-N	1	0	351.491	1.721	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)c2ccccc2C#N)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000362398723	676917516	/nfs/dbraw/zinc/91/75/16/676917516.db2.gz	YJNKZYFOHULJQZ-DOTOQJQBSA-N	1	0	362.499	1.205	20	30		FDEDRO
C=CCCOCCNC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1	ZINC000362735097	676923224	/nfs/dbraw/zinc/92/32/24/676923224.db2.gz	ZSMKMVIRQRQZSN-UHFFFAOYSA-N	1	0	352.523	1.779	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1Cl	ZINC000362931263	676927643	/nfs/dbraw/zinc/92/76/43/676927643.db2.gz	JATWIDRNRJHQGH-UONOGXRCSA-N	1	0	362.817	1.130	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C	ZINC000363989869	676983591	/nfs/dbraw/zinc/98/35/91/676983591.db2.gz	ZUXAQXNGBLNPMX-XPKDYRNWSA-N	1	0	352.504	1.898	20	30		FDEDRO
N#Cc1ncn(C2CC[NH+](C[C@H](O)COc3ccc(Cl)cc3)CC2)n1	ZINC000366339799	677435615	/nfs/dbraw/zinc/43/56/15/677435615.db2.gz	MISMZNRBYQTGTH-HNNXBMFYSA-N	1	0	361.833	1.880	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC23CC[NH2+]CC3)ccc1F	ZINC000366551973	677450219	/nfs/dbraw/zinc/45/02/19/677450219.db2.gz	AVQPKDFCFMTAQA-OAHLLOKOSA-N	1	0	367.446	1.162	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000367031482	677480678	/nfs/dbraw/zinc/48/06/78/677480678.db2.gz	VUKIZQGULLAMMN-CEXWTWQISA-N	1	0	350.551	1.757	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H]1C[NH+]1CCCCCC1	ZINC000368724830	677501386	/nfs/dbraw/zinc/50/13/86/677501386.db2.gz	NXLVFNNNSPSOJK-INIZCTEOSA-N	1	0	357.520	1.637	20	30		FDEDRO
N#CC1CCC(CNC(=O)NC[C@@]2(N3CCOCC3)CCSC2)CC1	ZINC000369079649	677502910	/nfs/dbraw/zinc/50/29/10/677502910.db2.gz	WZILJNWJMBXBMB-HTWSVDAQSA-N	1	0	366.531	1.823	20	30		FDEDRO
N#Cc1ccsc1NC(=O)CCN1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO	ZINC000370352799	677568189	/nfs/dbraw/zinc/56/81/89/677568189.db2.gz	DVBNCZPZLBICJS-CVEARBPZSA-N	1	0	362.499	1.869	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC(C)(C)CC[NH3+])cc1	ZINC000422557532	680741468	/nfs/dbraw/zinc/74/14/68/680741468.db2.gz	KOHXMLOSOQPPQH-UHFFFAOYSA-N	1	0	354.476	1.742	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC3(C2)CC[NH2+]CC3)cc1	ZINC000373151826	678038026	/nfs/dbraw/zinc/03/80/26/678038026.db2.gz	JNUZVIOARMAYQR-UHFFFAOYSA-N	1	0	363.483	1.367	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(COC)(C(=O)OCC)CC1	ZINC000373793253	678067035	/nfs/dbraw/zinc/06/70/35/678067035.db2.gz	SRFIMGHSZLYMCL-MRXNPFEDSA-N	1	0	352.475	1.867	20	30		FDEDRO
N#Cc1ccccc1OCC[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1	ZINC000376587968	678340194	/nfs/dbraw/zinc/34/01/94/678340194.db2.gz	ALHWRPFHOPJCKU-UHFFFAOYSA-N	1	0	363.483	1.827	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1	ZINC000377673852	678588792	/nfs/dbraw/zinc/58/87/92/678588792.db2.gz	JBOWMOFOLIKLBL-HOCLYGCPSA-N	1	0	350.850	1.687	20	30		FDEDRO
N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@@H]3C(=O)NC[C@@H]3C1)CCC2	ZINC000377719735	678598066	/nfs/dbraw/zinc/59/80/66/678598066.db2.gz	KZLYXMKUSMYGJR-NEPJUHHUSA-N	1	0	358.467	1.505	20	30		FDEDRO
C[C@@H]1COCC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1	ZINC000378444541	678747346	/nfs/dbraw/zinc/74/73/46/678747346.db2.gz	NBCIDQAEJHCRHD-HOTGVXAUSA-N	1	0	362.499	1.425	20	30		FDEDRO
COC1CC[NH+](C2(CNS(=O)(=O)N(C)C[C@H](C)C#N)CCCC2)CC1	ZINC000410146255	678884981	/nfs/dbraw/zinc/88/49/81/678884981.db2.gz	VPSJXICVWUWQRS-OAHLLOKOSA-N	1	0	372.535	1.336	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c1	ZINC000424021358	680826744	/nfs/dbraw/zinc/82/67/44/680826744.db2.gz	UDHHWWBREPGOPE-UKRRQHHQSA-N	1	0	351.472	1.208	20	30		FDEDRO
CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H]([NH3+])CCCC#N)ccc1C	ZINC000424075084	680828740	/nfs/dbraw/zinc/82/87/40/680828740.db2.gz	IQNGRCBHAUXOMF-HNNXBMFYSA-N	1	0	366.487	1.985	20	30		FDEDRO
C=CCSCCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1	ZINC000413214235	679246118	/nfs/dbraw/zinc/24/61/18/679246118.db2.gz	ZNVWWLWZSFFEMW-UHFFFAOYSA-N	1	0	356.536	1.001	20	30		FDEDRO
C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1	ZINC000415292029	679403224	/nfs/dbraw/zinc/40/32/24/679403224.db2.gz	AUVOGEMHDWWCFF-NSHDSACASA-N	1	0	351.204	1.080	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N[C@H](CC[NH3+])C(F)F)n2)c(F)c1	ZINC000415470026	679435834	/nfs/dbraw/zinc/43/58/34/679435834.db2.gz	YIHOFBKQQJKRME-LLVKDONJSA-N	1	0	352.320	1.987	20	30		FDEDRO
CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000415517307	679443295	/nfs/dbraw/zinc/44/32/95/679443295.db2.gz	JJWYKJNHUUUTAF-UHFFFAOYSA-N	1	0	353.220	1.375	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)ccc1OC(F)(F)F	ZINC000415534906	679446226	/nfs/dbraw/zinc/44/62/26/679446226.db2.gz	KOMWOLCVWXHSJI-NSHDSACASA-N	1	0	356.304	1.249	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)[C@H](C)C[NH2+]1	ZINC000415554534	679450510	/nfs/dbraw/zinc/45/05/10/679450510.db2.gz	HDXXWGLZSHMAHO-NXEZZACHSA-N	1	0	352.341	1.307	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1	ZINC000415559864	679451752	/nfs/dbraw/zinc/45/17/52/679451752.db2.gz	FJYMGAHANAWXBY-UWVGGRQHSA-N	1	0	365.231	1.455	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1	ZINC000415594038	679460753	/nfs/dbraw/zinc/46/07/53/679460753.db2.gz	FYJWQMDMGTYDRB-UPJWGTAASA-N	1	0	350.444	1.586	20	30		FDEDRO
C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000415746633	679491256	/nfs/dbraw/zinc/49/12/56/679491256.db2.gz	VNFFKYWKDGUFLL-SNVBAGLBSA-N	1	0	367.247	1.893	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1Cl	ZINC000415765455	679495574	/nfs/dbraw/zinc/49/55/74/679495574.db2.gz	QYKNTNCNSSTSSW-CQSZACIVSA-N	1	0	360.845	1.998	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[C@H](C)[NH3+]	ZINC000415777145	679498179	/nfs/dbraw/zinc/49/81/79/679498179.db2.gz	BSDDQQFVCFDTJB-DTWKUNHWSA-N	1	0	358.320	1.290	20	30		FDEDRO
N#Cc1ncc(NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cc1Cl	ZINC000415813323	679511961	/nfs/dbraw/zinc/51/19/61/679511961.db2.gz	UBMRVVVZGNXWCG-LBPRGKRZSA-N	1	0	364.837	1.458	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1	ZINC000415820085	679514236	/nfs/dbraw/zinc/51/42/36/679514236.db2.gz	KJLTTYOMPATXJM-UONOGXRCSA-N	1	0	360.845	1.998	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000416366364	679585691	/nfs/dbraw/zinc/58/56/91/679585691.db2.gz	CVOGAHNDWDUJSP-ZNMIVQPWSA-N	1	0	351.472	1.627	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)NC1CCC([NH3+])CC1	ZINC000420411852	680442191	/nfs/dbraw/zinc/44/21/91/680442191.db2.gz	CMOFECLBIWJZFA-UHFFFAOYSA-N	1	0	358.261	1.869	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2C#N)[C@H](C)C[NH2+]1	ZINC000420419020	680443609	/nfs/dbraw/zinc/44/36/09/680443609.db2.gz	ITGHPHIXGCQFJU-NXEZZACHSA-N	1	0	358.261	1.692	20	30		FDEDRO
CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)c1cccc(Br)c1C#N	ZINC000420464532	680465620	/nfs/dbraw/zinc/46/56/20/680465620.db2.gz	PGZZZFIWKYXGPA-ZDUSSCGKSA-N	1	0	372.288	1.987	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ncc(C#N)cc3Cl)CC2)C1=O	ZINC000425302372	680893021	/nfs/dbraw/zinc/89/30/21/680893021.db2.gz	CMYXFMRHZFBGOH-CQSZACIVSA-N	1	0	361.833	1.032	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C	ZINC000425869947	680937821	/nfs/dbraw/zinc/93/78/21/680937821.db2.gz	VOXGIVIYXPKISR-MJBXVCDLSA-N	1	0	351.472	1.174	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1	ZINC000425889319	680939597	/nfs/dbraw/zinc/93/95/97/680939597.db2.gz	FOWPHOGJGZCDSI-IRXDYDNUSA-N	1	0	351.491	1.274	20	30		FDEDRO
Cc1oc(NC(=O)C[NH2+][C@H]2CCCC[C@H]2NS(C)(=O)=O)c(C#N)c1C	ZINC000429706848	681045191	/nfs/dbraw/zinc/04/51/91/681045191.db2.gz	FNGJFOKFCWUDEC-UONOGXRCSA-N	1	0	368.459	1.157	20	30		FDEDRO
CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccc(C#N)cc1	ZINC000429725138	681046284	/nfs/dbraw/zinc/04/62/84/681046284.db2.gz	RUITWUPLYOBLLC-CVEARBPZSA-N	1	0	364.471	1.337	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)C1CC[NH+](CCC)CC1	ZINC000430374608	681073685	/nfs/dbraw/zinc/07/36/85/681073685.db2.gz	APIVCTHXEDAKLJ-WBVHZDCISA-N	1	0	351.491	1.417	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(F)c(C#N)c2)CCCO1	ZINC000432296942	681150742	/nfs/dbraw/zinc/15/07/42/681150742.db2.gz	HNBVIJLWGOPRQD-ZDUSSCGKSA-N	1	0	355.435	1.477	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)CC1(C#N)CCC1	ZINC000474587323	685427056	/nfs/dbraw/zinc/42/70/56/685427056.db2.gz	SJGCMXMEDAPFLQ-MRXNPFEDSA-N	1	0	356.536	1.358	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C	ZINC000435587404	681607255	/nfs/dbraw/zinc/60/72/55/681607255.db2.gz	CQDCAFYSJDVAAD-CVEARBPZSA-N	1	0	370.519	1.321	20	30		FDEDRO
COC(=O)CC1([NH2+]Cc2ccc(CC#N)cc2)CCS(=O)(=O)CC1	ZINC000439260203	681918157	/nfs/dbraw/zinc/91/81/57/681918157.db2.gz	PSQASSIZMRWVPJ-UHFFFAOYSA-N	1	0	350.440	1.353	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2cccc(C)c2C#N)C1	ZINC000441977690	682113764	/nfs/dbraw/zinc/11/37/64/682113764.db2.gz	NPKHQJJYSBPISY-INIZCTEOSA-N	1	0	365.499	1.988	20	30		FDEDRO
Cc1cc(C[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)ccc1C#N	ZINC000444001585	682372038	/nfs/dbraw/zinc/37/20/38/682372038.db2.gz	IIRQEHPNSBAJDP-OAHLLOKOSA-N	1	0	350.465	1.853	20	30		FDEDRO
CCC[C@]1(CO)CCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000444777501	682427739	/nfs/dbraw/zinc/42/77/39/682427739.db2.gz	POELKNUCPZRQLI-IEBWSBKVSA-N	1	0	350.507	1.306	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc(Br)cc1C#N	ZINC000448951212	682651695	/nfs/dbraw/zinc/65/16/95/682651695.db2.gz	BLQGKPWBTYANSI-CYBMUJFWSA-N	1	0	351.248	1.296	20	30		FDEDRO
C[C@@H](CNC(=O)c1cccc(C#N)c1Br)N1CC[NH+](C)CC1	ZINC000448980836	682655617	/nfs/dbraw/zinc/65/56/17/682655617.db2.gz	QQMXXCIQJHFHJQ-LBPRGKRZSA-N	1	0	365.275	1.686	20	30		FDEDRO
C[C@H](CNC(=O)c1cccc(C#N)c1Br)N1CC[NH+](C)CC1	ZINC000448980835	682655670	/nfs/dbraw/zinc/65/56/70/682655670.db2.gz	QQMXXCIQJHFHJQ-GFCCVEGCSA-N	1	0	365.275	1.686	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)NCc1c(OC)cc(OC)cc1OC	ZINC000451610302	682905902	/nfs/dbraw/zinc/90/59/02/682905902.db2.gz	YKCBOQDCLSBNGQ-CABCVRRESA-N	1	0	350.415	1.262	20	30		FDEDRO
COC[C@@]1(CO)CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000451924832	682969935	/nfs/dbraw/zinc/96/99/35/682969935.db2.gz	FNNSDPBFAJNETI-KRWDZBQOSA-N	1	0	351.834	1.871	20	30		FDEDRO
C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000453748112	683204418	/nfs/dbraw/zinc/20/44/18/683204418.db2.gz	JJXRQQJTAAPVOM-NHYWBVRUSA-N	1	0	361.833	1.630	20	30		FDEDRO
CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000453752768	683205629	/nfs/dbraw/zinc/20/56/29/683205629.db2.gz	PRLHPNBWLPTSLK-LLVKDONJSA-N	1	0	351.838	1.782	20	30		FDEDRO
C=CC[C@H](C)NC(=O)N1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1	ZINC000454534458	683331237	/nfs/dbraw/zinc/33/12/37/683331237.db2.gz	UNSCUSAYEHPBJN-FUHWJXTLSA-N	1	0	350.507	1.927	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000455764092	683497025	/nfs/dbraw/zinc/49/70/25/683497025.db2.gz	QNCJCJPNAJAEFH-GFCCVEGCSA-N	1	0	350.854	1.754	20	30		FDEDRO
CC(C)(CC#N)C[NH2+]Cc1ccccc1S(=O)(=O)N1CCOCC1	ZINC000459739952	684452877	/nfs/dbraw/zinc/45/28/77/684452877.db2.gz	ZTTHUSQPHDWEMD-UHFFFAOYSA-N	1	0	351.472	1.737	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1	ZINC000462326668	684629323	/nfs/dbraw/zinc/62/93/23/684629323.db2.gz	SZMBUJKNRFIFOT-GDBMZVCRSA-N	1	0	365.499	1.706	20	30		FDEDRO
C[NH+](C)CCCN(C(=O)Cc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000467645170	684870718	/nfs/dbraw/zinc/87/07/18/684870718.db2.gz	GGNQBNYMXZRWAX-QGZVFWFLSA-N	1	0	363.483	1.068	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccs1	ZINC000470812340	685074444	/nfs/dbraw/zinc/07/44/44/685074444.db2.gz	LMVZBESTHZAJML-GJZGRUSLSA-N	1	0	367.494	1.749	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccs1	ZINC000470815218	685075683	/nfs/dbraw/zinc/07/56/83/685075683.db2.gz	YSHMPPJUWPARHU-ILXRZTDVSA-N	1	0	367.494	1.748	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C[C@@H]1C	ZINC000472323690	685197587	/nfs/dbraw/zinc/19/75/87/685197587.db2.gz	FLYYOANADRBGHM-QWHCGFSZSA-N	1	0	366.443	1.960	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNS(=O)(=O)Cc2ccc(C#N)cc2F)CC1	ZINC000480720046	686213522	/nfs/dbraw/zinc/21/35/22/686213522.db2.gz	IEGWKCPSMBPIIG-UHFFFAOYSA-N	1	0	369.462	1.352	20	30		FDEDRO
CC#CCCNC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1	ZINC000483429211	686506587	/nfs/dbraw/zinc/50/65/87/686506587.db2.gz	QOHKEDLBWDQTNY-UHFFFAOYSA-N	1	0	350.507	1.525	20	30		FDEDRO
C[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000488791789	687059255	/nfs/dbraw/zinc/05/92/55/687059255.db2.gz	ZPAJSQPPWRHUEO-ZFWWWQNUSA-N	1	0	354.372	1.876	20	30		FDEDRO
N#CC1(CCC[N@H+](C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CCOCC1	ZINC000499581009	687967650	/nfs/dbraw/zinc/96/76/50/687967650.db2.gz	DXLYERKERRPWAS-SJORKVTESA-N	1	0	370.515	1.755	20	30		FDEDRO
C=CCc1cc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)cc(OC)c1O	ZINC000500492945	688093077	/nfs/dbraw/zinc/09/30/77/688093077.db2.gz	CTYHKTFCGNVEIM-CVEARBPZSA-N	1	0	368.499	1.937	20	30		FDEDRO
N#Cc1ccc(F)c(CS(=O)(=O)NCCCC[N@H+]2CCC[C@H]2CO)c1	ZINC000500969308	688145212	/nfs/dbraw/zinc/14/52/12/688145212.db2.gz	UZJLSASLNAXBJV-INIZCTEOSA-N	1	0	369.462	1.354	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)C[NH+](CC)CC)c1	ZINC000501238754	688164601	/nfs/dbraw/zinc/16/46/01/688164601.db2.gz	ZKPYTYKUEUWRNW-CQSZACIVSA-N	1	0	353.488	1.611	20	30		FDEDRO
CS(=O)(=O)NCC1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1	ZINC000510206838	689354411	/nfs/dbraw/zinc/35/44/11/689354411.db2.gz	CEVSRBFEPAYXKJ-UHFFFAOYSA-N	1	0	364.471	1.148	20	30		FDEDRO
CCN1CC[NH+](CCCCNC(=O)C(=O)Nc2sccc2C#N)CC1	ZINC000511946901	689569024	/nfs/dbraw/zinc/56/90/24/689569024.db2.gz	LYCURMSZKLGMJP-UHFFFAOYSA-N	1	0	363.487	1.092	20	30		FDEDRO
CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cnc2ccc(C#N)cn12	ZINC000512859996	689644573	/nfs/dbraw/zinc/64/45/73/689644573.db2.gz	FZRHDFBGWKLWPZ-GDBMZVCRSA-N	1	0	361.471	1.404	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+]C[C@@H](N3CCOCC3)C(F)(F)F)n2c1	ZINC000512977219	689650718	/nfs/dbraw/zinc/65/07/18/689650718.db2.gz	IKERPYMNCGDPHP-CQSZACIVSA-N	1	0	353.348	1.559	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1C#N	ZINC000515312417	689840038	/nfs/dbraw/zinc/84/00/38/689840038.db2.gz	KFKOMMHVTKPAIV-WBVHZDCISA-N	1	0	364.471	1.169	20	30		FDEDRO
C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000517038217	690027423	/nfs/dbraw/zinc/02/74/23/690027423.db2.gz	OJZKBRMBGQZZBI-ONGXEEELSA-N	1	0	358.261	1.821	20	30		FDEDRO
CN(CCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1	ZINC000518003575	690112169	/nfs/dbraw/zinc/11/21/69/690112169.db2.gz	YWUFUROVPCMKJQ-UHFFFAOYSA-N	1	0	358.467	1.843	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CC2(O)CCS(=O)(=O)CC2)c(C(F)(F)F)c1	ZINC000519612097	690232265	/nfs/dbraw/zinc/23/22/65/690232265.db2.gz	LIRKVJRBSKASFX-UHFFFAOYSA-N	1	0	362.373	1.606	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CCCn3cc(C(F)(F)F)nc32)CC1	ZINC000528456604	694720694	/nfs/dbraw/zinc/72/06/94/694720694.db2.gz	PCRXFDNNTFVLJV-LLVKDONJSA-N	1	0	355.364	1.883	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1N1CCN([C@@H](CC)CO)CC1	ZINC000641405078	696090904	/nfs/dbraw/zinc/09/09/04/696090904.db2.gz	QCLLBXABRLHXHT-HNNXBMFYSA-N	1	0	353.488	1.044	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)OCC	ZINC000641668466	696193773	/nfs/dbraw/zinc/19/37/73/696193773.db2.gz	AHVNKBDUTKSVPN-QZTJIDSGSA-N	1	0	353.507	1.271	20	30		FDEDRO
CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccc(Cl)nc1C#N	ZINC001164616706	719014448	/nfs/dbraw/zinc/01/44/48/719014448.db2.gz	LKQMCEVBMLFRDO-ICCXJUOJSA-N	1	0	370.787	1.881	20	30		FDEDRO
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)[N@H+](C)C[C@@H]1C	ZINC001164631518	719238733	/nfs/dbraw/zinc/23/87/33/719238733.db2.gz	DUFINFCEHCDATH-HZSPNIEDSA-N	1	0	353.426	1.939	20	30		FDEDRO
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)[N@H+](C)C[C@H]1C	ZINC001164631402	719238813	/nfs/dbraw/zinc/23/88/13/719238813.db2.gz	DUFINFCEHCDATH-BFHYXJOUSA-N	1	0	353.426	1.939	20	30		FDEDRO
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncccc2C#N)CC1	ZINC001164825821	720292774	/nfs/dbraw/zinc/29/27/74/720292774.db2.gz	TZVFESDHXNRDQZ-ROUUACIJSA-N	1	0	353.470	1.865	20	30		FDEDRO
Cc1cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(C#N)n1	ZINC001164828902	720323085	/nfs/dbraw/zinc/32/30/85/720323085.db2.gz	KJFKOQZRGDYEFO-DLBZAZTESA-N	1	0	368.485	1.568	20	30		FDEDRO
COc1cc(C#N)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1	ZINC001164739631	720706540	/nfs/dbraw/zinc/70/65/40/720706540.db2.gz	OIUOQOICKZSKHY-HOCLYGCPSA-N	1	0	352.398	1.094	20	30		FDEDRO
N#Cc1nc(Cl)cnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164871072	721061661	/nfs/dbraw/zinc/06/16/61/721061661.db2.gz	YJUKXKRILTWYHM-CABCVRRESA-N	1	0	370.844	1.876	20	30		FDEDRO
COc1ccnc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1C#N	ZINC001164763448	721109692	/nfs/dbraw/zinc/10/96/92/721109692.db2.gz	FZEKMYGYRVMWBB-HZPDHXFCSA-N	1	0	352.442	1.654	20	30		FDEDRO
CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc(C#N)cn4)C3)O2)CC1	ZINC001164885660	721378133	/nfs/dbraw/zinc/37/81/33/721378133.db2.gz	CXTLPIVKVSLSTF-UYAOXDASSA-N	1	0	355.486	1.719	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1	ZINC000684789656	782294831	/nfs/dbraw/zinc/29/48/31/782294831.db2.gz	VOSONPKFKDPAKM-CZUORRHYSA-N	1	0	355.398	1.303	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(-n4cccc4)ccn3)[C@H]2C1	ZINC001083242881	782356001	/nfs/dbraw/zinc/35/60/01/782356001.db2.gz	CXZROLVGYFQMOJ-RBUKOAKNSA-N	1	0	352.438	1.974	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCCO2)C[C@H]1c1ccccc1	ZINC001211541929	782532000	/nfs/dbraw/zinc/53/20/00/782532000.db2.gz	QAZLOFYDKJHJTD-GBESFXJTSA-N	1	0	371.481	1.442	20	30		FDEDRO
CC(C)C[C@@H](C(N)=O)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C	ZINC001211490051	769235052	/nfs/dbraw/zinc/23/50/52/769235052.db2.gz	SAXLIFPKDWITNB-FHLIZLRMSA-N	1	0	356.470	1.642	20	30		FDEDRO
C[NH+]1CCC(CNc2ccc(C#N)cc2[N+](=O)[O-])(N2CCOCC2)CC1	ZINC000413480820	782735760	/nfs/dbraw/zinc/73/57/60/782735760.db2.gz	MGBNRJWREQQYQE-UHFFFAOYSA-N	1	0	359.430	1.675	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2n[nH]cc2F)C1=O	ZINC001087210098	782738411	/nfs/dbraw/zinc/73/84/11/782738411.db2.gz	TUZROJIGYVMCQP-VNHYZAJKSA-N	1	0	363.437	1.166	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)CC[C@]1(C)CCC(=O)N1	ZINC001211499953	769955610	/nfs/dbraw/zinc/95/56/10/769955610.db2.gz	XDRKTJTUSQETQA-FQELHTAISA-N	1	0	368.481	1.944	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCO[C@@H]3C[N@H+](C[C@@H]4CCCCO4)C[C@@H]32)c1	ZINC001083188155	769980840	/nfs/dbraw/zinc/98/08/40/769980840.db2.gz	HGBPOUFRXHSYCU-GBESFXJTSA-N	1	0	355.438	1.157	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cncn2C)c1	ZINC001087210752	782809035	/nfs/dbraw/zinc/80/90/35/782809035.db2.gz	BGPGJQCGSWBWOR-QAPCUYQASA-N	1	0	351.454	1.827	20	30		FDEDRO
C=CCn1cc(C(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)nn1	ZINC000843545283	770731855	/nfs/dbraw/zinc/73/18/55/770731855.db2.gz	ORMFRQNDYLOYPD-UHFFFAOYSA-N	1	0	372.448	1.675	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C#N)c2)C1	ZINC001020604870	770982792	/nfs/dbraw/zinc/98/27/92/770982792.db2.gz	RPYAVHDQEIDPGM-TVFCKZIOSA-N	1	0	355.438	1.895	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1	ZINC001020710294	771282114	/nfs/dbraw/zinc/28/21/14/771282114.db2.gz	XPOLVFRXPGOHSK-VJANTYMQSA-N	1	0	371.481	1.894	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ncnn2C(C)(C)C)C1	ZINC001020726139	771303185	/nfs/dbraw/zinc/30/31/85/771303185.db2.gz	BAFZADYVRYCXBR-JKQORVJESA-N	1	0	361.490	1.751	20	30		FDEDRO
Cn1cc([C@@H]2C[C@H]2C(=O)NCCC[NH2+]Cc2ccc(C#N)cc2F)cn1	ZINC001167107938	771334171	/nfs/dbraw/zinc/33/41/71/771334171.db2.gz	AFYXEZUSVQELKK-DLBZAZTESA-N	1	0	355.417	1.830	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)C(C)(C)c3cnc[nH]3)C[C@H]21	ZINC001022749925	782912919	/nfs/dbraw/zinc/91/29/19/782912919.db2.gz	CWZWPKZDZDQGJN-JJXSEGSLSA-N	1	0	372.469	1.338	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NCC)C1	ZINC001104239680	771606320	/nfs/dbraw/zinc/60/63/20/771606320.db2.gz	KPQLPTIUEFHBIC-HUUCEWRRSA-N	1	0	366.506	1.509	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1F	ZINC001104241348	771645609	/nfs/dbraw/zinc/64/56/09/771645609.db2.gz	YMNNDUUOPBCHOU-RHSMWYFYSA-N	1	0	370.432	1.563	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3sccc3C)[C@@H]2C1	ZINC001020958791	771676290	/nfs/dbraw/zinc/67/62/90/771676290.db2.gz	DOIXFYBHYPADPM-YESZJQIVSA-N	1	0	371.506	1.827	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)C3(COC)CC3)C[C@H]2C)C1=O	ZINC001104416649	782950243	/nfs/dbraw/zinc/95/02/43/782950243.db2.gz	ZGDFQCRCYWLKSI-BRWVUGGUSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC[C@@H]2CCCO2)C1	ZINC001104245299	771756728	/nfs/dbraw/zinc/75/67/28/771756728.db2.gz	APARISJOWQAWRH-KURKYZTESA-N	1	0	365.518	1.712	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccnc3[nH]cnc32)C[C@H]1C	ZINC001104246753	771805021	/nfs/dbraw/zinc/80/50/21/771805021.db2.gz	DJAIUHPHSZMVCF-HUUCEWRRSA-N	1	0	355.442	1.296	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCc3ccccc3)C[C@@H]21	ZINC001083198504	771811506	/nfs/dbraw/zinc/81/15/06/771811506.db2.gz	YRUYKLLWVXARJY-FUMNGEBKSA-N	1	0	356.466	1.732	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(Cc3oc(C)nc3C)C[C@@H]21	ZINC001083198876	771826351	/nfs/dbraw/zinc/82/63/51/771826351.db2.gz	VVWZSGCLFHZRJH-MUQADHOPSA-N	1	0	361.442	1.294	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]CCCN2CCCC2=O)CC1	ZINC001167277199	771855983	/nfs/dbraw/zinc/85/59/83/771855983.db2.gz	DJHGZQNQRLMTJW-SJORKVTESA-N	1	0	363.502	1.466	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc3c(c2)nnn3C)C1	ZINC000970241057	772159458	/nfs/dbraw/zinc/15/94/58/772159458.db2.gz	AHKDXOGCHZMQER-GJYPPUQNSA-N	1	0	369.469	1.640	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)C2)C1=O	ZINC001021112562	772165588	/nfs/dbraw/zinc/16/55/88/772165588.db2.gz	AWGQZZQPMSAYIK-FKSLSLAPSA-N	1	0	371.456	1.953	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cn3c(n2)CCCC3)C[C@H]1C	ZINC001104256868	772449426	/nfs/dbraw/zinc/44/94/26/772449426.db2.gz	TWLROQKNKSCKJE-IAGOWNOFSA-N	1	0	358.486	1.557	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2O)C1	ZINC000970395062	772545575	/nfs/dbraw/zinc/54/55/75/772545575.db2.gz	PGPIRBQCTJVPLZ-SJORKVTESA-N	1	0	363.502	1.151	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]2O)C1	ZINC000970400067	772560707	/nfs/dbraw/zinc/56/07/07/772560707.db2.gz	ALNMCOLDELKXTA-SJORKVTESA-N	1	0	368.437	1.301	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]2O)C1	ZINC000970403181	772567180	/nfs/dbraw/zinc/56/71/80/772567180.db2.gz	PTVBIHHKDJNQIF-MSOLQXFVSA-N	1	0	371.481	1.406	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCC1	ZINC001021260350	772672320	/nfs/dbraw/zinc/67/23/20/772672320.db2.gz	MAMMTYIMIGZJKA-FVAVCCDCSA-N	1	0	361.486	1.312	20	30		FDEDRO
C[C@@H]1CCN(C(=O)Cn2cnnn2)[C@H](C[NH2+]Cc2cc(F)ccc2C#N)C1	ZINC001087117992	772675913	/nfs/dbraw/zinc/67/59/13/772675913.db2.gz	RANMCZXPINRVAJ-DYVFJYSZSA-N	1	0	371.420	1.101	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2[nH]ccc2C2CC2)C[C@H]1C	ZINC001104278052	772737173	/nfs/dbraw/zinc/73/71/73/772737173.db2.gz	BDTCJLDXGRCRQY-GDBMZVCRSA-N	1	0	358.486	1.882	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N2C[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)CC1	ZINC001021326420	772916970	/nfs/dbraw/zinc/91/69/70/772916970.db2.gz	XKKADYBQTQGNPE-FUHWJXTLSA-N	1	0	369.469	1.291	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3CN(C(=O)CC[NH+]4CCCCC4)C[C@H]32)c1	ZINC001021326936	772923331	/nfs/dbraw/zinc/92/33/31/772923331.db2.gz	GIQAZIHQHSHOGD-FUHWJXTLSA-N	1	0	369.469	1.435	20	30		FDEDRO
Cc1ccc(NC(=O)C(=O)N(C)C[C@H](C)C#N)cc1NC(=O)CC[NH+](C)C	ZINC000275650452	772936093	/nfs/dbraw/zinc/93/60/93/772936093.db2.gz	GHWRAGWUPIEVQG-CYBMUJFWSA-N	1	0	373.457	1.442	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1	ZINC001021415262	773256912	/nfs/dbraw/zinc/25/69/12/773256912.db2.gz	NHDPUOGHGWJSFQ-GRDNDAEWSA-N	1	0	355.442	1.044	20	30		FDEDRO
C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#C[C@@H]1CCCCO1	ZINC000891111520	773292988	/nfs/dbraw/zinc/29/29/88/773292988.db2.gz	AUWISEPXNFFHIA-HOTGVXAUSA-N	1	0	367.490	1.520	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2ccc(F)c(C#N)c2)cc1	ZINC000510317713	773697951	/nfs/dbraw/zinc/69/79/51/773697951.db2.gz	BRDYWDCXJRNRLP-UHFFFAOYSA-N	1	0	368.412	1.919	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1	ZINC000275818870	774013594	/nfs/dbraw/zinc/01/35/94/774013594.db2.gz	FIPWBCXMYQSOMF-OAHLLOKOSA-N	1	0	356.426	1.592	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(C)C)C1	ZINC001112496120	774328101	/nfs/dbraw/zinc/32/81/01/774328101.db2.gz	ILIGGAYBHPTBLK-VDGAXYAQSA-N	1	0	365.518	1.522	20	30		FDEDRO
C=CCn1c(C)cc(C(=O)CN2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)c1C	ZINC000277749165	783171616	/nfs/dbraw/zinc/17/16/16/783171616.db2.gz	LKXZXNOAAQANFZ-HKUYNNGSSA-N	1	0	356.470	1.915	20	30		FDEDRO
N#CC[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(F)(F)F	ZINC000932910757	774373853	/nfs/dbraw/zinc/37/38/53/774373853.db2.gz	MISPCBDNGAHREU-MCIONIFRSA-N	1	0	362.396	1.898	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cncc(COC)c2)C[C@H]1C	ZINC001104304368	774408658	/nfs/dbraw/zinc/40/86/58/774408658.db2.gz	FCICWGYEYREWAK-SJLPKXTDSA-N	1	0	359.470	1.566	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cncc3ncn(C)c32)C[C@H]1C	ZINC001104310740	774560877	/nfs/dbraw/zinc/56/08/77/774560877.db2.gz	GBDZVXYTBFEWSY-HZPDHXFCSA-N	1	0	371.485	1.859	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)C2=COCCC2)C1=O	ZINC001087133828	774563853	/nfs/dbraw/zinc/56/38/53/774563853.db2.gz	OEFYQSZOYXDPQP-BPQIPLTHSA-N	1	0	361.486	1.684	20	30		FDEDRO
C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cccc(OCC#N)c2)C1	ZINC000785026517	774705155	/nfs/dbraw/zinc/70/51/55/774705155.db2.gz	FPWWEBZBLVAFFQ-YOEHRIQHSA-N	1	0	356.426	1.470	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1(C[NH2+][C@@H]2CCCN(C)C2=O)CC1	ZINC001167435054	774827377	/nfs/dbraw/zinc/82/73/77/774827377.db2.gz	FNAZNFIIPDWSKY-BBWFWOEESA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1(C[NH2+][C@H](C)C(=O)NCCC)CC1	ZINC001167435258	774842858	/nfs/dbraw/zinc/84/28/58/774842858.db2.gz	PPJBXIXEDJKHLL-IKGGRYGDSA-N	1	0	365.518	1.758	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCc3ccc(C#N)cc32)C1	ZINC000275990599	774889204	/nfs/dbraw/zinc/88/92/04/774889204.db2.gz	QJGYKTJRECJEHX-IAGOWNOFSA-N	1	0	352.438	1.390	20	30		FDEDRO
C=C(Br)C[NH2+]CC[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1C	ZINC001104324274	774985571	/nfs/dbraw/zinc/98/55/71/774985571.db2.gz	XYUBOWQGLJVZSA-ZYHUDNBSSA-N	1	0	369.263	1.779	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12	ZINC000656356131	775129644	/nfs/dbraw/zinc/12/96/44/775129644.db2.gz	QSKNRCQITCHSOL-MSOLQXFVSA-N	1	0	359.470	1.970	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cn3cc(C)ccc3n2)C[C@H]1C	ZINC001104349589	776347462	/nfs/dbraw/zinc/34/74/62/776347462.db2.gz	PHJFXCRNAUMRAU-QZTJIDSGSA-N	1	0	368.481	1.980	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)c4ccncc4)C[C@H]32)CC1	ZINC001021883157	776481782	/nfs/dbraw/zinc/48/17/82/776481782.db2.gz	AHBQGOKDUAGOJZ-RBUKOAKNSA-N	1	0	366.465	1.100	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)Cc4ccco4)C[C@H]32)CC1	ZINC001021883993	776490583	/nfs/dbraw/zinc/49/05/83/776490583.db2.gz	QINUOUCMZCKGBY-PKOBYXMFSA-N	1	0	369.465	1.227	20	30		FDEDRO
C=CCn1cc(C(=O)N2CCO[C@@H]3C[N@H+](CCc4ccccc4)C[C@@H]32)nn1	ZINC001083217687	776592274	/nfs/dbraw/zinc/59/22/74/776592274.db2.gz	KKWRDFGFKNFDPJ-RBUKOAKNSA-N	1	0	367.453	1.232	20	30		FDEDRO
C=CCn1cc(C(=O)N2CCO[C@@H]3C[N@@H+](CC4CC(C)(C)C4)C[C@@H]32)nn1	ZINC001083217974	776597253	/nfs/dbraw/zinc/59/72/53/776597253.db2.gz	WNQOTDLPCIOCCU-DLBZAZTESA-N	1	0	359.474	1.426	20	30		FDEDRO
CC(=O)N1CCCN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1	ZINC000328777364	776696505	/nfs/dbraw/zinc/69/65/05/776696505.db2.gz	IIBFKFONMIHBTR-UHFFFAOYSA-N	1	0	359.474	1.514	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)C2=CCOCC2)C1=O	ZINC001087155021	776972521	/nfs/dbraw/zinc/97/25/21/776972521.db2.gz	XMYITOYIDKWWFF-BPQIPLTHSA-N	1	0	361.486	1.337	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21	ZINC001022008615	777049812	/nfs/dbraw/zinc/04/98/12/777049812.db2.gz	FDAAYAMAPDSVPS-LZLYRXPVSA-N	1	0	369.469	1.434	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CS(=O)(=O)C2CCCC2)C[C@H]1C	ZINC001104357549	777058369	/nfs/dbraw/zinc/05/83/69/777058369.db2.gz	KFQAQTQOKOZAFW-HZPDHXFCSA-N	1	0	356.532	1.994	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2cn(C)nn2)C1	ZINC001075421218	777066276	/nfs/dbraw/zinc/06/62/76/777066276.db2.gz	SPSYVRNAOXIHDH-SJLPKXTDSA-N	1	0	369.444	1.813	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC)C1	ZINC001104360719	777277892	/nfs/dbraw/zinc/27/78/92/777277892.db2.gz	UENWHSSYXSUUMT-HZPDHXFCSA-N	1	0	359.470	1.685	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H]2CCNC2=O)C1	ZINC001075422353	777286502	/nfs/dbraw/zinc/28/65/02/777286502.db2.gz	ZBTQALXAKYMHJN-KBAYOESNSA-N	1	0	359.445	1.670	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)cn1	ZINC001022035534	777314499	/nfs/dbraw/zinc/31/44/99/777314499.db2.gz	QSOWOVKKNGDELP-PKOBYXMFSA-N	1	0	366.465	1.078	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(COCC)CC2)C[C@H]1C	ZINC001104363884	777490815	/nfs/dbraw/zinc/49/08/15/777490815.db2.gz	MHVLAVDNLAOOCS-IXDOHACOSA-N	1	0	363.502	1.015	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)c2coc(S(N)(=O)=O)c2)C[C@H]1C	ZINC001104363692	777497143	/nfs/dbraw/zinc/49/71/43/777497143.db2.gz	BSXFKMZMUIOGND-CHWSQXEVSA-N	1	0	355.460	1.191	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087160204	777641701	/nfs/dbraw/zinc/64/17/01/777641701.db2.gz	ZKXLQEDIUZLJOM-COXVUDFISA-N	1	0	356.426	1.383	20	30		FDEDRO
CC[NH+]=C(NCCOc1ccc2c(c1)OCO2)N1CC[C@@]2(CCOC2)C1	ZINC000261943112	777898592	/nfs/dbraw/zinc/89/85/92/777898592.db2.gz	DZGNTCMTAVUIEN-LJQANCHMSA-N	1	0	361.442	1.872	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NC)cc2)C1	ZINC001022098848	777902955	/nfs/dbraw/zinc/90/29/55/777902955.db2.gz	CGOIAAAVHSUFOJ-HCXYKTFWSA-N	1	0	371.481	1.764	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCO[C@H]3C(C)C)C2)C1=O	ZINC001022102456	777933948	/nfs/dbraw/zinc/93/39/48/777933948.db2.gz	SJIMEWZNSVLBHN-ADHGMGHFSA-N	1	0	363.502	1.461	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH+]1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2	ZINC000933460109	778188713	/nfs/dbraw/zinc/18/87/13/778188713.db2.gz	IOBHSBUKGQNUIN-HNNXBMFYSA-N	1	0	367.490	1.779	20	30		FDEDRO
CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C	ZINC001104370498	778202039	/nfs/dbraw/zinc/20/20/39/778202039.db2.gz	YLJXAEFGPHTTKC-IAGOWNOFSA-N	1	0	365.522	1.626	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(C)cc(C)n2)C[C@H]1C	ZINC001104373131	778280047	/nfs/dbraw/zinc/28/00/47/778280047.db2.gz	FGXZVTLONLPSMX-NVXWUHKLSA-N	1	0	358.486	1.688	20	30		FDEDRO
Cc1ncc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)n1-c1ccccc1	ZINC000255371901	778546807	/nfs/dbraw/zinc/54/68/07/778546807.db2.gz	DJJKICDEOYCAOU-VHEBQXMUSA-N	1	0	351.410	1.797	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1	ZINC000971705056	778740652	/nfs/dbraw/zinc/74/06/52/778740652.db2.gz	BHJDPAVEIQKPHS-BPQIPLTHSA-N	1	0	369.469	1.434	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1	ZINC000971719470	778839485	/nfs/dbraw/zinc/83/94/85/778839485.db2.gz	RXNFBSPVJYUXFL-KBAYOESNSA-N	1	0	369.469	1.432	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]([N@H+](C)Cc3cccc(C#N)c3)C2)O1	ZINC000971781685	779068997	/nfs/dbraw/zinc/06/89/97/779068997.db2.gz	MARLYDWYCGPBCE-AYOQOUSVSA-N	1	0	356.470	1.310	20	30		FDEDRO
C[C@@H]1C[NH+](CCCNC(=O)N2CCC3(CC2)CC(=O)C=CO3)C[C@@H](C)O1	ZINC000891730633	779202161	/nfs/dbraw/zinc/20/21/61/779202161.db2.gz	XPQYLJLRYLAJPS-HZPDHXFCSA-N	1	0	365.474	1.533	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C[C@@H]2CCNC2=O)[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001087174297	779416271	/nfs/dbraw/zinc/41/62/71/779416271.db2.gz	MGJVANGEOQLPLR-GJYPPUQNSA-N	1	0	368.481	1.801	20	30		FDEDRO
CCOC(=O)c1cnn(C2CCN(CC(=O)NC3(C#N)CCC3)CC2)c1C	ZINC000510624988	779464689	/nfs/dbraw/zinc/46/46/89/779464689.db2.gz	OWQPJSXPLSZNGQ-UHFFFAOYSA-N	1	0	373.457	1.568	20	30		FDEDRO
C[NH+](C)CCOc1cccc(CNC(=O)NCc2nc(C#N)cs2)c1	ZINC000891815681	779549913	/nfs/dbraw/zinc/54/99/13/779549913.db2.gz	DQOIXGYXLRUXHO-UHFFFAOYSA-N	1	0	359.455	1.955	20	30		FDEDRO
C[NH2+]C[C@H]1CCCCN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000891851144	779739732	/nfs/dbraw/zinc/73/97/32/779739732.db2.gz	DGKJPKDARNKQSL-QZTJIDSGSA-N	1	0	369.469	1.443	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc3c[nH]nc3cc2C)CC1	ZINC000276827046	779769300	/nfs/dbraw/zinc/76/93/00/779769300.db2.gz	QHWDAYRKFXWIMI-UHFFFAOYSA-N	1	0	355.442	1.967	20	30		FDEDRO
C[N@@H+]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000276834889	779849414	/nfs/dbraw/zinc/84/94/14/779849414.db2.gz	HBEAKPORHVBZIP-QGZVFWFLSA-N	1	0	355.442	1.006	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1	ZINC000971851387	779987429	/nfs/dbraw/zinc/98/74/29/779987429.db2.gz	OSHZCJNIZXPBFK-ZTFGCOKTSA-N	1	0	369.469	1.432	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](CCC)OC)C2	ZINC001112508126	780140669	/nfs/dbraw/zinc/14/06/69/780140669.db2.gz	OUQKHUCOIAXUHM-FCEWJHQRSA-N	1	0	351.491	1.322	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnn3c2OCCC3)C[C@H]1C	ZINC001104388169	780253780	/nfs/dbraw/zinc/25/37/80/780253780.db2.gz	JRGUKZVLSZDIPP-HZPDHXFCSA-N	1	0	360.458	1.003	20	30		FDEDRO
N#CCC1(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CC1	ZINC000431200577	780391872	/nfs/dbraw/zinc/39/18/72/780391872.db2.gz	ZXOKRHRPYGTCLH-ZWKOTPCHSA-N	1	0	356.470	1.862	20	30		FDEDRO
N#CCC1(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC1	ZINC000431200575	780392084	/nfs/dbraw/zinc/39/20/84/780392084.db2.gz	ZXOKRHRPYGTCLH-QZTJIDSGSA-N	1	0	356.470	1.862	20	30		FDEDRO
CNC(=O)CN1CCC(NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC1	ZINC000477985791	780888400	/nfs/dbraw/zinc/88/84/00/780888400.db2.gz	GJVPLWBUXINOQY-IBGZPJMESA-N	1	0	372.469	1.288	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC)cc2)C[C@H]1C	ZINC001104393915	780958604	/nfs/dbraw/zinc/95/86/04/780958604.db2.gz	DOHKPUSLULHSBL-HZPDHXFCSA-N	1	0	357.454	1.731	20	30		FDEDRO
C[C@@H](CC(N)=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#Cc2ccccc2)C1	ZINC001112508452	781007134	/nfs/dbraw/zinc/00/71/34/781007134.db2.gz	GMUBIDIMBWUSMI-JLMWRMLUSA-N	1	0	367.493	1.768	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2csnn2)C1=O	ZINC001087194645	781090447	/nfs/dbraw/zinc/09/04/47/781090447.db2.gz	DWULPAZAKYPWJP-RDBSUJKOSA-N	1	0	363.487	1.155	20	30		FDEDRO
[NH2+]=C(NC[C@@H]1CCO[C@H]1c1ccccc1)N1CCN(c2ncccn2)CC1	ZINC000277202661	781097963	/nfs/dbraw/zinc/09/79/63/781097963.db2.gz	DUCVSNOUDRELNH-ROUUACIJSA-N	1	0	366.469	1.691	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2C)CC1	ZINC000891986874	781106228	/nfs/dbraw/zinc/10/62/28/781106228.db2.gz	WNLIQWWEDWLFPT-UHFFFAOYSA-N	1	0	359.470	1.925	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2)c1C#N	ZINC000472074604	781468726	/nfs/dbraw/zinc/46/87/26/781468726.db2.gz	RRARLDTVWGDXTJ-HZPDHXFCSA-N	1	0	373.505	1.305	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4cncn4)n3)[C@H]2C1	ZINC001083236435	781479680	/nfs/dbraw/zinc/47/96/80/781479680.db2.gz	CEOFNYXJZBHGOC-DLBZAZTESA-N	1	0	368.441	1.154	20	30		FDEDRO
N#Cc1ccccc1N1CCC(NC(=O)N[C@@H](CC[NH3+])C(F)F)CC1	ZINC000892152119	781798009	/nfs/dbraw/zinc/79/80/09/781798009.db2.gz	QPSRPCCKQOXVCL-AWEZNQCLSA-N	1	0	351.401	1.809	20	30		FDEDRO
N#CCCN1CCN(C(=O)NC[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)CC1	ZINC000892154847	781827000	/nfs/dbraw/zinc/82/70/00/781827000.db2.gz	QQMXROWSFPBQIY-MJGOQNOKSA-N	1	0	373.476	1.760	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CCN(C(=O)NCC2([NH3+])CCOCC2)CC1	ZINC000892278946	783301475	/nfs/dbraw/zinc/30/14/75/783301475.db2.gz	IOHBUZOBUWSHFY-UHFFFAOYSA-N	1	0	361.421	1.037	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2)C1	ZINC000972350021	783415939	/nfs/dbraw/zinc/41/59/39/783415939.db2.gz	XVYIBFQVKCAFRH-KURKYZTESA-N	1	0	354.454	1.315	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C(N)=O)cc2)C1	ZINC000972373577	783533423	/nfs/dbraw/zinc/53/34/23/783533423.db2.gz	NFGTVEUHWQUQHV-KSZLIROESA-N	1	0	357.454	1.409	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3cnc(C)n3C1)C2	ZINC001112518278	783600131	/nfs/dbraw/zinc/60/01/31/783600131.db2.gz	AQPYDPZWNQGXSR-LQWHRVPQSA-N	1	0	354.498	1.996	20	30		FDEDRO
C[NH2+]CCOCCN(C)C(=O)NC1CCN(c2ccccc2C#N)CC1	ZINC000892425704	783721017	/nfs/dbraw/zinc/72/10/17/783721017.db2.gz	CFVWSXHZLAFRHL-UHFFFAOYSA-N	1	0	359.474	1.404	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3ncoc3CC)C[C@H]21	ZINC000972834958	783902465	/nfs/dbraw/zinc/90/24/65/783902465.db2.gz	KJYAPRNGASXOQE-OWCLPIDISA-N	1	0	370.453	1.008	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21	ZINC000972846265	783931231	/nfs/dbraw/zinc/93/12/31/783931231.db2.gz	KRLCIAZQWFBRMY-QGPMSJSTSA-N	1	0	369.469	1.434	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)C(=O)NC(N)=O)C1	ZINC001112520315	783959228	/nfs/dbraw/zinc/95/92/28/783959228.db2.gz	YQQFPBCORDBVDL-GLJUWKHASA-N	1	0	350.463	1.144	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1	ZINC000972860266	783960682	/nfs/dbraw/zinc/96/06/82/783960682.db2.gz	WHXKQTWUQXOSKP-VAMGGRTRSA-N	1	0	367.493	1.610	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)C(=O)NC(=O)NC)C1	ZINC001112520233	783963112	/nfs/dbraw/zinc/96/31/12/783963112.db2.gz	VASHSDBSHHHSHH-VCBZYWHSSA-N	1	0	364.490	1.405	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)Nc2cnccn2)C1	ZINC001112520825	784215994	/nfs/dbraw/zinc/21/59/94/784215994.db2.gz	ZGGYURXASXJWNF-JXFKEZNVSA-N	1	0	371.485	1.990	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ncnn2C)C1	ZINC001024191884	784289725	/nfs/dbraw/zinc/28/97/25/784289725.db2.gz	GKACCUAPVLFLNS-RYRKJORJSA-N	1	0	361.490	1.515	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2cnnn2CC)C1	ZINC001024195615	784307848	/nfs/dbraw/zinc/30/78/48/784307848.db2.gz	FDQUNLISHVGREI-SZMVWBNQSA-N	1	0	361.490	1.607	20	30		FDEDRO
CC[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)N1CCCC1=O	ZINC000414898489	791018689	/nfs/dbraw/zinc/01/86/89/791018689.db2.gz	AMZNEGYYVYRBLB-GOSISDBHSA-N	1	0	356.470	1.849	20	30		FDEDRO
N#C[C@H]1CN(C(=O)N2C3CCC2(C[NH3+])CC3)CCN1Cc1ccccc1	ZINC000892468854	784667648	/nfs/dbraw/zinc/66/76/48/784667648.db2.gz	DJTKNKIFPKWKES-FDYSRKEFSA-N	1	0	353.470	1.772	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C1	ZINC000658624397	784707134	/nfs/dbraw/zinc/70/71/34/784707134.db2.gz	NJMSQPJDZYAAMR-IRXDYDNUSA-N	1	0	363.502	1.513	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CNC(=O)NCC#CCO)[C@H]1c1ccc(Cl)c(F)c1	ZINC000923776030	784786014	/nfs/dbraw/zinc/78/60/14/784786014.db2.gz	WITMEALSHIXRIE-XJKSGUPXSA-N	1	0	353.825	1.767	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000658672657	784826312	/nfs/dbraw/zinc/82/63/12/784826312.db2.gz	BMDDVOZEBPXORP-KDURUIRLSA-N	1	0	371.481	1.286	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN(C(C)=O)C2)C[C@H]1c1ccccc1	ZINC001211631912	784927958	/nfs/dbraw/zinc/92/79/58/784927958.db2.gz	VRZPTHPCZJJCOL-PCCBWWKXSA-N	1	0	367.493	1.852	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(=O)c(OC)co2)C[C@H]1c1ccccc1	ZINC001211632970	785091594	/nfs/dbraw/zinc/09/15/94/785091594.db2.gz	NGNFAFJJIMLWIC-DLBZAZTESA-N	1	0	366.417	1.870	20	30		FDEDRO
CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CCN(c3cnccc3C#N)CC2)C1	ZINC000892482960	785132152	/nfs/dbraw/zinc/13/21/52/785132152.db2.gz	HZRCGMWELAIGOG-MRXNPFEDSA-N	1	0	356.474	1.563	20	30		FDEDRO
CC1(C)C[NH2+]CC[C@H](NC(=O)N2CCN(c3cnccc3C#N)CC2)C1	ZINC000892482959	785132362	/nfs/dbraw/zinc/13/23/62/785132362.db2.gz	HZRCGMWELAIGOG-INIZCTEOSA-N	1	0	356.474	1.563	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4sccc4C)[C@@H]3C2)C1=O	ZINC001075494709	785157283	/nfs/dbraw/zinc/15/72/83/785157283.db2.gz	QQDPUTSVOAEFHK-HRCADAONSA-N	1	0	359.495	1.990	20	30		FDEDRO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1	ZINC000364938188	785238328	/nfs/dbraw/zinc/23/83/28/785238328.db2.gz	XGWVDBOQPFXXFR-QFBILLFUSA-N	1	0	359.470	1.877	20	30		FDEDRO
COC(=O)[C@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000413794084	785404225	/nfs/dbraw/zinc/40/42/25/785404225.db2.gz	OJPBNZBCTKRWMV-CALCHBBNSA-N	1	0	358.442	1.583	20	30		FDEDRO
CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1	ZINC001024650695	785617841	/nfs/dbraw/zinc/61/78/41/785617841.db2.gz	IYRFHNKAOXIMHB-FGTMMUONSA-N	1	0	361.486	1.150	20	30		FDEDRO
COc1ccc(CN2CCN3C(=O)N(C)C[C@@H]3C2)cc1OCCCC#N	ZINC000376049084	785671474	/nfs/dbraw/zinc/67/14/74/785671474.db2.gz	YFTXLHPSCXLFPY-MRXNPFEDSA-N	1	0	358.442	1.929	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(C[NH+](C)C)cc3)C2)C1	ZINC001024676057	785701594	/nfs/dbraw/zinc/70/15/94/785701594.db2.gz	KQSXNZFJHIWJTD-QZTJIDSGSA-N	1	0	371.481	1.406	20	30		FDEDRO
COc1ccc(CN(C)C(=O)CON=C(N)C[N@@H+]2CCCC[C@H]2C)cc1	ZINC000177592451	785855239	/nfs/dbraw/zinc/85/52/39/785855239.db2.gz	RDLSILRMVVUTFK-OAHLLOKOSA-N	1	0	362.474	1.817	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1	ZINC001024738096	785874539	/nfs/dbraw/zinc/87/45/39/785874539.db2.gz	FCJKDTIWIQLTEO-ZACQAIPSSA-N	1	0	363.502	1.151	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)NCC#C[C@@H]3CCCCO3)CC2)CC1	ZINC000892522077	786726654	/nfs/dbraw/zinc/72/66/54/786726654.db2.gz	OTQWTHQFSOLBSE-IBGZPJMESA-N	1	0	362.518	1.417	20	30		FDEDRO
C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H]3CN(CC#Cc4ccc(F)cc4)C[C@@H]32)C1	ZINC001083273605	786774161	/nfs/dbraw/zinc/77/41/61/786774161.db2.gz	AUVBJQZSVYWOIU-YSIASYRMSA-N	1	0	371.456	1.041	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCC#CCO	ZINC000923783976	786812485	/nfs/dbraw/zinc/81/24/85/786812485.db2.gz	SLEJBABHJQSALW-UHFFFAOYSA-N	1	0	357.376	1.774	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)n1	ZINC000376248644	786999692	/nfs/dbraw/zinc/99/96/92/786999692.db2.gz	UGUDWFYTUVVIKK-UHFFFAOYSA-N	1	0	371.420	1.253	20	30		FDEDRO
O=C(C[NH+]1CCCC1)N1CCO[C@@H]2CN(CC#Cc3ccccc3)C[C@@H]21	ZINC001083275499	787159709	/nfs/dbraw/zinc/15/97/09/787159709.db2.gz	HKJYYJVIKAHEDT-VQTJNVASSA-N	1	0	353.466	1.046	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000892599984	787582024	/nfs/dbraw/zinc/58/20/24/787582024.db2.gz	WZIYPQJJERDKJI-LVQVYYBASA-N	1	0	369.473	1.099	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cccc(OC)n3)C[C@H]21	ZINC000978831371	805813161	/nfs/dbraw/zinc/81/31/61/805813161.db2.gz	TZOMJKSVKQTAGC-CBNQQXHVSA-N	1	0	371.481	1.865	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cn2nnnc2C(C)C)C[C@H]1c1ccccc1	ZINC001211684332	805823732	/nfs/dbraw/zinc/82/37/32/805823732.db2.gz	SCSWXLJZROYXHB-ZWKOTPCHSA-N	1	0	366.469	1.404	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)n1	ZINC000376443736	787816462	/nfs/dbraw/zinc/81/64/62/787816462.db2.gz	WCWUXBRKIDDJAC-UHFFFAOYSA-N	1	0	359.478	1.495	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNS(C)(=O)=O)C1	ZINC001104564544	787929352	/nfs/dbraw/zinc/92/93/52/787929352.db2.gz	NDCFOKUEZUTXJU-BZUAXINKSA-N	1	0	359.536	1.212	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1OCC#N)C1=CC[N@H+](C)CC1	ZINC000785320547	805836171	/nfs/dbraw/zinc/83/61/71/805836171.db2.gz	KDEKKHVGRTVWJS-GFCCVEGCSA-N	1	0	360.389	1.433	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000978873087	805838730	/nfs/dbraw/zinc/83/87/30/805838730.db2.gz	CFCOIQBAAJTAOE-WCXIOVBPSA-N	1	0	358.486	1.639	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000978878823	805877151	/nfs/dbraw/zinc/87/71/51/805877151.db2.gz	XIBHFBVLKQCNLT-JSQNDZKTSA-N	1	0	357.458	1.241	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1	ZINC000973267806	788460077	/nfs/dbraw/zinc/46/00/77/788460077.db2.gz	DAPKLKGXEAEQRV-DZVNLGKHSA-N	1	0	363.502	1.604	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cnc(C)n2C)C[C@H]1C	ZINC001104585588	788722192	/nfs/dbraw/zinc/72/21/92/788722192.db2.gz	MYVXIEKVIOLRFX-IIAWOOMASA-N	1	0	361.490	1.107	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)c2ccoc2CC(N)=O)C[C@H]1C	ZINC001104590485	788773119	/nfs/dbraw/zinc/77/31/19/788773119.db2.gz	OJLZBWFGWZMXLZ-DGCLKSJQSA-N	1	0	353.850	1.748	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NC2CC2)C1	ZINC001104607223	788848737	/nfs/dbraw/zinc/84/87/37/788848737.db2.gz	MWKQERRREVBNNB-HUUCEWRRSA-N	1	0	364.490	1.405	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C2)CC1	ZINC001104629809	789014839	/nfs/dbraw/zinc/01/48/39/789014839.db2.gz	LMUCEQIULKFEAF-NVXWUHKLSA-N	1	0	356.532	1.852	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1	ZINC000973461266	789086178	/nfs/dbraw/zinc/08/61/78/789086178.db2.gz	QMDVAQRWWYJNKX-DZVNLGKHSA-N	1	0	361.486	1.215	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H]3CCC(=O)NC3=O)C2)CCC1	ZINC001104639807	789111815	/nfs/dbraw/zinc/11/18/15/789111815.db2.gz	WXMQTSZQESFRAI-OAGGEKHMSA-N	1	0	361.486	1.612	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCNS(=O)(=O)CC)C2)C1	ZINC001104651950	789174434	/nfs/dbraw/zinc/17/44/34/789174434.db2.gz	FYCQNBBBEMKGOU-HZPDHXFCSA-N	1	0	371.547	1.356	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NCCC)C2)c1	ZINC001104659328	789180896	/nfs/dbraw/zinc/18/08/96/789180896.db2.gz	IDDHTOVNXGLRKH-SOLBZPMBSA-N	1	0	370.497	1.665	20	30		FDEDRO
C=CCC[C@H](CO)NC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)c(F)c1	ZINC000659597604	789263793	/nfs/dbraw/zinc/26/37/93/789263793.db2.gz	IVKRLQDPDSGDNS-VYDXJSESSA-N	1	0	365.449	1.906	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2cccnc2C)C[C@H]1C	ZINC001104675084	789294644	/nfs/dbraw/zinc/29/46/44/789294644.db2.gz	QHAQWSTTXVYWBE-HHXXYDBFSA-N	1	0	370.497	1.145	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](CCC)OC)C[C@H]1c1ccccc1	ZINC001211647015	789295250	/nfs/dbraw/zinc/29/52/50/789295250.db2.gz	QLJDLFHJAYEYPL-IPMKNSEASA-N	1	0	371.481	1.135	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3nsc4ccccc43)[C@H]2C1	ZINC001083280990	789309355	/nfs/dbraw/zinc/30/93/55/789309355.db2.gz	PURSMYQSTMFVKH-DLBZAZTESA-N	1	0	355.463	1.774	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)C[C@H]1C	ZINC001104713296	789653448	/nfs/dbraw/zinc/65/34/48/789653448.db2.gz	BKRKBUQCNMTDFF-IIAWOOMASA-N	1	0	371.485	1.113	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2COc3ccccc32)C1	ZINC001112021666	789667482	/nfs/dbraw/zinc/66/74/82/789667482.db2.gz	ZULOUUAYMASFHX-MDKPJZGXSA-N	1	0	354.450	1.783	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)CS(=O)(=O)N(CC)CC)C[C@H]1C	ZINC001104745658	791353286	/nfs/dbraw/zinc/35/32/86/791353286.db2.gz	PPWJLUNUMZFJGC-HZPDHXFCSA-N	1	0	359.536	1.308	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2CC23CCN(c2ccc(C#N)nn2)CC3)CC[N@@H+]1C	ZINC001058655777	791702590	/nfs/dbraw/zinc/70/25/90/791702590.db2.gz	KQLCVFUKSLYAIH-FVQBIDKESA-N	1	0	354.458	1.164	20	30		FDEDRO
CN(C)c1ccc(C(N)=[NH+]OCC(=O)NCCOc2cccc(F)c2)cc1	ZINC000174122934	791738449	/nfs/dbraw/zinc/73/84/49/791738449.db2.gz	XZIQODNZRFMZGJ-UHFFFAOYSA-N	1	0	374.416	1.724	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@]2(C)CCC(=O)N2)C1	ZINC001112029212	791791940	/nfs/dbraw/zinc/79/19/40/791791940.db2.gz	VUQFXNDFQGIJJR-VDGAXYAQSA-N	1	0	361.486	1.056	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)NCCC[NH2+]Cc2cccnc2)c1C#N	ZINC000415314141	791907228	/nfs/dbraw/zinc/90/72/28/791907228.db2.gz	JBPMITHZAGAYDE-UHFFFAOYSA-N	1	0	351.410	1.496	20	30		FDEDRO
CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000290295149	791940714	/nfs/dbraw/zinc/94/07/14/791940714.db2.gz	HUNVBJKOPOHKHD-LLVKDONJSA-N	1	0	368.384	1.943	20	30		FDEDRO
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NC(C)(C)C[NH3+])c1C	ZINC000415386133	792171673	/nfs/dbraw/zinc/17/16/73/792171673.db2.gz	WFTMELOYYYEJHU-UHFFFAOYSA-N	1	0	354.414	1.153	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)n1	ZINC000415456793	792300259	/nfs/dbraw/zinc/30/02/59/792300259.db2.gz	RHDBRSIKWZEZFV-UHFFFAOYSA-N	1	0	360.462	1.703	20	30		FDEDRO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H]3C(=O)NC[C@H]3C2)cc1	ZINC000377653549	792423663	/nfs/dbraw/zinc/42/36/63/792423663.db2.gz	MNJMXMABXRKSHU-XYJFISCASA-N	1	0	354.454	1.698	20	30		FDEDRO
CCC[NH2+]CCNC(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1	ZINC000415514996	792432112	/nfs/dbraw/zinc/43/21/12/792432112.db2.gz	ADEOJTKNFWQHQK-UHFFFAOYSA-N	1	0	368.441	1.415	20	30		FDEDRO
CC(C)[C@@H](F)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC#N)C1	ZINC001211650350	792437298	/nfs/dbraw/zinc/43/72/98/792437298.db2.gz	DEKIJRDKPXXKIH-LZLYRXPVSA-N	1	0	360.433	1.204	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1C#N	ZINC000415633292	792725553	/nfs/dbraw/zinc/72/55/53/792725553.db2.gz	QEVJODLLBMDYKS-IYBDPMFKSA-N	1	0	356.426	1.637	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)ccc1OC(F)(F)F	ZINC000415658066	792756505	/nfs/dbraw/zinc/75/65/05/792756505.db2.gz	UZIPCVWFTQJQJV-GHMZBOCLSA-N	1	0	370.331	1.781	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2ccco2)C1=O	ZINC001026064613	793078984	/nfs/dbraw/zinc/07/89/84/793078984.db2.gz	BVOIFXFLQGUFEU-DBDULZNHSA-N	1	0	355.438	1.216	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1	ZINC000415823769	793082733	/nfs/dbraw/zinc/08/27/33/793082733.db2.gz	UDEYDBNYVRSZSR-CVEARBPZSA-N	1	0	371.485	1.901	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1	ZINC000415846654	793150447	/nfs/dbraw/zinc/15/04/47/793150447.db2.gz	SXNJDJCXCQVAFT-INIZCTEOSA-N	1	0	358.442	1.918	20	30		FDEDRO
C[C@@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1)c1cccnc1	ZINC001104753190	793171892	/nfs/dbraw/zinc/17/18/92/793171892.db2.gz	WBKCGVMWCNNBNK-LZLYRXPVSA-N	1	0	371.485	1.289	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1	ZINC000415870412	793263777	/nfs/dbraw/zinc/26/37/77/793263777.db2.gz	MTQHRCRJKRAFEL-BZUAXINKSA-N	1	0	370.453	1.788	20	30		FDEDRO
O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1	ZINC000415895841	793338460	/nfs/dbraw/zinc/33/84/60/793338460.db2.gz	QAFHFCSJUJYUGS-ROUUACIJSA-N	1	0	374.444	1.488	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1	ZINC000415897770	793341985	/nfs/dbraw/zinc/34/19/85/793341985.db2.gz	SHJAYDBIYKRYKQ-RBSFLKMASA-N	1	0	372.494	1.945	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1	ZINC000415897768	793342378	/nfs/dbraw/zinc/34/23/78/793342378.db2.gz	SHJAYDBIYKRYKQ-KFWWJZLASA-N	1	0	372.494	1.945	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2F)[C@H](NC(=O)CC)C1	ZINC001026118961	793378993	/nfs/dbraw/zinc/37/89/93/793378993.db2.gz	BZGXTVUIYUHTMV-UHOSZYNNSA-N	1	0	371.456	1.744	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cncs3)C2)nn1	ZINC001104769138	793554421	/nfs/dbraw/zinc/55/44/21/793554421.db2.gz	FWWOBZYROIPLNG-ZIAGYGMSSA-N	1	0	360.487	1.809	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnc(C)o3)C2)nn1	ZINC001104769311	793555598	/nfs/dbraw/zinc/55/55/98/793555598.db2.gz	OYKZGIRIBSGPBS-UKRRQHHQSA-N	1	0	358.446	1.649	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCn3cccn3)C2)nn1	ZINC001104769215	793555698	/nfs/dbraw/zinc/55/56/98/793555698.db2.gz	JYNGJOSDZSWEQE-HZPDHXFCSA-N	1	0	357.462	1.049	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@]2(C)CCCS2(=O)=O)C[C@H]1C	ZINC001104780594	793625027	/nfs/dbraw/zinc/62/50/27/793625027.db2.gz	IPHWBSBEVOALKY-JFIYKMOQSA-N	1	0	356.532	1.994	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC)C1	ZINC001104782470	793631053	/nfs/dbraw/zinc/63/10/53/793631053.db2.gz	CYBROZNCQBOYTI-CBZIJGRNSA-N	1	0	351.491	1.178	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C1	ZINC001104782787	793634327	/nfs/dbraw/zinc/63/43/27/793634327.db2.gz	UCLRXNPSZGHMRY-BDXSIMOUSA-N	1	0	354.491	1.051	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CCCS(C)(=O)=O)C[C@H]1C	ZINC001104784048	793651995	/nfs/dbraw/zinc/65/19/95/793651995.db2.gz	GFMGFAXUZVEPJY-TZMCWYRMSA-N	1	0	350.912	1.638	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2c(C)n[nH]c2C)C[C@H]1C	ZINC001104803256	793766037	/nfs/dbraw/zinc/76/60/37/793766037.db2.gz	RDSPLCMAIXZHBT-UHOFOFEASA-N	1	0	361.490	1.405	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(=O)n(CC)n2)C[C@H]1C	ZINC001104806927	793784913	/nfs/dbraw/zinc/78/49/13/793784913.db2.gz	PPOMWHPDZJEBSN-TZMCWYRMSA-N	1	0	352.866	1.704	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CCOC(C)C)C[C@H]1C(F)(F)F	ZINC001112053107	793875938	/nfs/dbraw/zinc/87/59/38/793875938.db2.gz	RWUVRUKPHKLDOX-ZIAGYGMSSA-N	1	0	350.381	1.430	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CN2CN=NC2=O)C1	ZINC001087425681	806282367	/nfs/dbraw/zinc/28/23/67/806282367.db2.gz	MHGYTDASBKRGFH-QZTJIDSGSA-N	1	0	369.469	1.924	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ncccc2F)C[C@H]1C	ZINC001104835869	793984320	/nfs/dbraw/zinc/98/43/20/793984320.db2.gz	HEHHTYXFVHZOOK-QLFBSQMISA-N	1	0	360.433	1.046	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1	ZINC001104846426	794040786	/nfs/dbraw/zinc/04/07/86/794040786.db2.gz	VOXVCFDWPCCNOB-DNVCBOLYSA-N	1	0	368.481	1.659	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CN(C)S(=O)(=O)CC)C[C@H]1C	ZINC001104857146	794086396	/nfs/dbraw/zinc/08/63/96/794086396.db2.gz	WDTDZUWKXYQQBL-HZPDHXFCSA-N	1	0	359.536	1.308	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1	ZINC000378457645	794174150	/nfs/dbraw/zinc/17/41/50/794174150.db2.gz	WFUHLMZXSGOUHI-CZUORRHYSA-N	1	0	359.401	1.329	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CCOC2CCOCC2)C[C@H]1C	ZINC001104888768	794227714	/nfs/dbraw/zinc/22/77/14/794227714.db2.gz	PRXULZGDZISWGV-QZTJIDSGSA-N	1	0	368.518	1.849	20	30		FDEDRO
Cc1cc(NC(=O)Nc2cnn(CC[NH+]3CCCCC3)c2)nn1CCC#N	ZINC000378522220	794261145	/nfs/dbraw/zinc/26/11/45/794261145.db2.gz	OLSKILYMMNGQPQ-UHFFFAOYSA-N	1	0	370.461	2.432	20	30		FDEDRO
C[C@@H](NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)C1=CC[N@H+](C)CC1	ZINC000378568010	794332855	/nfs/dbraw/zinc/33/28/55/794332855.db2.gz	NVCQRGZITFWPNN-OAHLLOKOSA-N	1	0	368.485	1.872	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nncn3C)C2)nc1	ZINC001104924967	794423885	/nfs/dbraw/zinc/42/38/85/794423885.db2.gz	VJAJCQDXALTPBV-GDBMZVCRSA-N	1	0	352.442	1.079	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCC)C2)cn1	ZINC001104927825	794436329	/nfs/dbraw/zinc/43/63/29/794436329.db2.gz	WQVCRYDGPAUKIR-NVXWUHKLSA-N	1	0	356.470	1.277	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](NC(C)=O)C(C)C)C[C@H]1C	ZINC001104929207	794443586	/nfs/dbraw/zinc/44/35/86/794443586.db2.gz	JHNVSAHANUMWAC-KBAYOESNSA-N	1	0	353.507	1.424	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(Cl)no2)C[C@H]1C	ZINC001104935527	794465703	/nfs/dbraw/zinc/46/57/03/794465703.db2.gz	WDVDMOONJRNZOP-VXGBXAGGSA-N	1	0	354.838	1.318	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1	ZINC000974172251	794617426	/nfs/dbraw/zinc/61/74/26/794617426.db2.gz	RIQSYKKLVZHIDV-GJGATLCTSA-N	1	0	363.502	1.463	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2nc3nc(C)cc(C)n3n2)C[C@H]1C	ZINC001104976018	794693162	/nfs/dbraw/zinc/69/31/62/794693162.db2.gz	FOUUUEQIUFFITB-CZUORRHYSA-N	1	0	354.458	1.452	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2ccccc2OC)C[C@H]1C	ZINC001104983739	794731539	/nfs/dbraw/zinc/73/15/39/794731539.db2.gz	XBKWNOOSEGZFND-SJLPKXTDSA-N	1	0	371.481	1.061	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H](CNc2ccnc(C#N)n2)CC(C)C)CC[N@@H+]1C	ZINC001105002106	794831685	/nfs/dbraw/zinc/83/16/85/794831685.db2.gz	UNVVPZXUBDCFCV-HRCADAONSA-N	1	0	358.490	1.443	20	30		FDEDRO
Cc1cc(C#N)nc(NC[C@H](CC(C)C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1	ZINC001105003181	794848488	/nfs/dbraw/zinc/84/84/88/794848488.db2.gz	OLCCHPKHXUTAEQ-HYVNUMGLSA-N	1	0	358.490	1.940	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)c3ccc(F)c(C#N)c3)ccn2)CC1	ZINC000278828157	794965733	/nfs/dbraw/zinc/96/57/33/794965733.db2.gz	JNNBBZSRYRNBSF-UHFFFAOYSA-N	1	0	353.401	1.774	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)CC(C)(C)C)C[C@H]1C	ZINC001105031878	794989894	/nfs/dbraw/zinc/98/98/94/794989894.db2.gz	LYBLBLMAQAQAJN-IAGOWNOFSA-N	1	0	365.518	1.263	20	30		FDEDRO
Cc1nc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)sc1C	ZINC001105031972	794992494	/nfs/dbraw/zinc/99/24/94/794992494.db2.gz	QRADUAFFATVOPV-BXUZGUMPSA-N	1	0	363.487	1.088	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2COCCN2C(C)=O)C[C@H]1C	ZINC001105034250	795013323	/nfs/dbraw/zinc/01/33/23/795013323.db2.gz	OBVVHZGKYIHRCU-NXHRZFHOSA-N	1	0	351.491	1.274	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](F)C(C)C)C[C@H]1c1ccccc1	ZINC001211653131	795124279	/nfs/dbraw/zinc/12/42/79/795124279.db2.gz	HQMISAMFEDKPKU-YQVWRLOYSA-N	1	0	359.445	1.314	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2(C)CCC(C)CC2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001105082486	795178567	/nfs/dbraw/zinc/17/85/67/795178567.db2.gz	DRHJWFFCPLEGPR-MUZJZNNISA-N	1	0	362.518	1.917	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C2CC2)C1	ZINC001105085241	795197457	/nfs/dbraw/zinc/19/74/57/795197457.db2.gz	HBLDXLOTQZXNTP-HZPDHXFCSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCCC)C1	ZINC001105085462	795206445	/nfs/dbraw/zinc/20/64/45/795206445.db2.gz	RNPMJCVJALIKDH-IAGOWNOFSA-N	1	0	353.507	1.570	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(F)s2)C[C@H]1C	ZINC001105098597	795285204	/nfs/dbraw/zinc/28/52/04/795285204.db2.gz	IRJIMTSEUJJVHH-CHWSQXEVSA-N	1	0	351.447	1.324	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnc(COC)s2)C[C@H]1C	ZINC001105114362	795328476	/nfs/dbraw/zinc/32/84/76/795328476.db2.gz	NYMNWQNZFOIRLU-HUUCEWRRSA-N	1	0	365.499	1.627	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cccc3[nH]c(=O)oc32)C[C@H]1C	ZINC001105120078	795345563	/nfs/dbraw/zinc/34/55/63/795345563.db2.gz	PUHHYCVTWNVBMU-HUUCEWRRSA-N	1	0	371.437	1.871	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3CCCC[C@H]3C[NH3+])C2=O)cc1	ZINC000418012595	795461083	/nfs/dbraw/zinc/46/10/83/795461083.db2.gz	SIGZRNRKQCYREG-SZMVWBNQSA-N	1	0	369.469	1.870	20	30		FDEDRO
CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000418075953	795511522	/nfs/dbraw/zinc/51/15/22/795511522.db2.gz	HUPRDSYXRYOBGT-ROUUACIJSA-N	1	0	371.485	1.674	20	30		FDEDRO
CCCC[C@H](C[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000418083369	795519686	/nfs/dbraw/zinc/51/96/86/795519686.db2.gz	ZTSZXWWKBGAGSO-IAGOWNOFSA-N	1	0	357.458	1.476	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+]C2CCC(NC(=O)[C@H]3C[C@H]3C(N)=O)CC2)c1	ZINC001026561659	795547788	/nfs/dbraw/zinc/54/77/88/795547788.db2.gz	PEQQGIIGFWMEPO-FJBKBRRZSA-N	1	0	358.417	1.336	20	30		FDEDRO
CC(=O)c1cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)ccc1F	ZINC000500205906	795623525	/nfs/dbraw/zinc/62/35/25/795623525.db2.gz	HHNDPXVOJXQEOS-UHFFFAOYSA-N	1	0	362.405	1.661	20	30		FDEDRO
N#Cc1ccc(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1F	ZINC000418268468	795679990	/nfs/dbraw/zinc/67/99/90/795679990.db2.gz	RIGBPEHTLVKFFM-CQSZACIVSA-N	1	0	373.354	1.333	20	30		FDEDRO
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCCN1CC[NH2+]CC1	ZINC000418298024	795730842	/nfs/dbraw/zinc/73/08/42/795730842.db2.gz	LRDWJVSLVIGRQN-OALUTQOASA-N	1	0	355.486	1.763	20	30		FDEDRO
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCCN1CC[NH2+]CC1	ZINC000418298026	795730864	/nfs/dbraw/zinc/73/08/64/795730864.db2.gz	LRDWJVSLVIGRQN-RBUKOAKNSA-N	1	0	355.486	1.763	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2nc3ncccn3n2)C[C@H]1c1ccccc1	ZINC001211692917	806453163	/nfs/dbraw/zinc/45/31/63/806453163.db2.gz	SCXLDTFSKTZTBI-DLBZAZTESA-N	1	0	360.421	1.345	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CCN1Cc1ccccc1	ZINC000418418587	795893524	/nfs/dbraw/zinc/89/35/24/795893524.db2.gz	WLMDBWHZPCHRRM-GUDVDZBRSA-N	1	0	355.486	1.923	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3ncccn3n2)C[C@H]1c1ccccc1	ZINC001211693013	806461054	/nfs/dbraw/zinc/46/10/54/806461054.db2.gz	XOUMURDVHADOJX-PKOBYXMFSA-N	1	0	359.433	1.950	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4CCCC[N@H+]4C)[C@@H]3C2)cc1	ZINC000974456783	795984223	/nfs/dbraw/zinc/98/42/23/795984223.db2.gz	SFXVXBNWFLYHDJ-HSALFYBXSA-N	1	0	365.477	1.825	20	30		FDEDRO
C[C@H](C[NH3+])CNC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000418488928	795985815	/nfs/dbraw/zinc/98/58/15/795985815.db2.gz	LCLKJQWLUGIVGB-CQSZACIVSA-N	1	0	352.442	1.533	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CCCC[N@H+]4C)[C@@H]3C2)nc1	ZINC000974471265	796016767	/nfs/dbraw/zinc/01/67/67/796016767.db2.gz	YEVAZSLFOBTSPZ-BHIYHBOVSA-N	1	0	366.465	1.220	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(NC(=O)Cc2c(F)cccc2C#N)CC1	ZINC000511696220	796240482	/nfs/dbraw/zinc/24/04/82/796240482.db2.gz	VJRHNLXCFMXITC-UHFFFAOYSA-N	1	0	360.433	1.299	20	30		FDEDRO
C=C(C)Cn1c(-c2ccc(=O)n(C)c2)nnc1N1CC[NH+](CC(C)C)CC1	ZINC000909337057	796257836	/nfs/dbraw/zinc/25/78/36/796257836.db2.gz	CTXQRKHVVYSITM-UHFFFAOYSA-N	1	0	370.501	1.998	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1	ZINC000979830214	806531493	/nfs/dbraw/zinc/53/14/93/806531493.db2.gz	QCCNEIVQYVCHPQ-ATIWLJMLSA-N	1	0	363.502	1.463	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000979848235	806536690	/nfs/dbraw/zinc/53/66/90/806536690.db2.gz	QUVQNZYPAICZGA-UDTPNQRGSA-N	1	0	357.498	1.389	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1	ZINC000979858272	806544617	/nfs/dbraw/zinc/54/46/17/806544617.db2.gz	ZNEOFTRUAAFRHT-DDBAPUKQSA-N	1	0	363.502	1.320	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCn3c(C)ncc3C1)C2	ZINC001112530487	806587259	/nfs/dbraw/zinc/58/72/59/806587259.db2.gz	WZXALAOKXVRIIP-LQWHRVPQSA-N	1	0	354.498	1.996	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1	ZINC000974654098	800017278	/nfs/dbraw/zinc/01/72/78/800017278.db2.gz	CQGCZNBVIGFTPI-JJRVBVJISA-N	1	0	364.409	1.100	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nc(CCC)no2)C1	ZINC001026850197	800020413	/nfs/dbraw/zinc/02/04/13/800020413.db2.gz	PBSIMOFJNCZIBM-XHSDSOJGSA-N	1	0	362.474	1.941	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]32)cn1	ZINC000974670149	800027486	/nfs/dbraw/zinc/02/74/86/800027486.db2.gz	MNCPPKNXGCDWSU-BHIYHBOVSA-N	1	0	368.481	1.322	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4CCCC[N@H+]4C)C[C@H]32)cn1	ZINC000974671988	800042574	/nfs/dbraw/zinc/04/25/74/800042574.db2.gz	UXDYDPYEINDLQK-NZSAHSFTSA-N	1	0	366.465	1.220	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CCC4(C)C)[C@@H]3C2)CC1	ZINC000974849149	800397755	/nfs/dbraw/zinc/39/77/55/800397755.db2.gz	VPRGBYMKCAQUFS-GUDVDZBRSA-N	1	0	371.525	1.827	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)cc1	ZINC001027068024	800655671	/nfs/dbraw/zinc/65/56/71/800655671.db2.gz	IWEYTCRWBUNCEG-KURKYZTESA-N	1	0	354.454	1.398	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc3c(c2)nnn3C)C1	ZINC001027075467	800889005	/nfs/dbraw/zinc/88/90/05/800889005.db2.gz	STJKABVSEYDOBM-FCEWJHQRSA-N	1	0	369.469	1.498	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnc(C3CC3)o2)C1	ZINC001027116726	801011485	/nfs/dbraw/zinc/01/14/85/801011485.db2.gz	HUJQOLJOZZDQJF-QRTARXTBSA-N	1	0	360.458	1.866	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)N2C[C@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@H]32)C1	ZINC000975216045	801014067	/nfs/dbraw/zinc/01/40/67/801014067.db2.gz	PGLSVGICXINHLM-RHSMWYFYSA-N	1	0	369.469	1.291	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@H]2C1	ZINC000975620296	801764367	/nfs/dbraw/zinc/76/43/67/801764367.db2.gz	MOMCNFGHQRTJFX-JQFCIGGWSA-N	1	0	355.442	1.044	20	30		FDEDRO
C=CC[C@]1(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)CCC[NH2+]1	ZINC000662670020	806942955	/nfs/dbraw/zinc/94/29/55/806942955.db2.gz	CCELWMHYZQAMND-HXUWFJFHSA-N	1	0	372.469	1.594	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)CC[N@@H+]1C	ZINC000975701233	802063902	/nfs/dbraw/zinc/06/39/02/802063902.db2.gz	NGEOYLZNRMYYQX-OKYOBFRVSA-N	1	0	357.498	1.580	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]21	ZINC000975810433	802490083	/nfs/dbraw/zinc/49/00/83/802490083.db2.gz	GIQCGFZNCWUQPI-AYBZRNKSSA-N	1	0	368.481	1.971	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]3C2)nc1	ZINC000975833110	802545982	/nfs/dbraw/zinc/54/59/82/802545982.db2.gz	GLKWSVHYJDWUGQ-UHOSZYNNSA-N	1	0	368.481	1.466	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)C4(CC)CC4)C[C@@H]32)CC1	ZINC000975987497	802788973	/nfs/dbraw/zinc/78/89/73/802788973.db2.gz	VKKPYFIQBDEKFK-HKUYNNGSSA-N	1	0	371.525	1.971	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c(OC)c1	ZINC000661149616	802844583	/nfs/dbraw/zinc/84/45/83/802844583.db2.gz	XKTFBFWOSDRCMR-MSOLQXFVSA-N	1	0	372.469	1.777	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC000976483136	803419180	/nfs/dbraw/zinc/41/91/80/803419180.db2.gz	RJYAYEALDSPEGE-NUJGCVRESA-N	1	0	371.485	1.916	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1	ZINC000423120064	814965084	/nfs/dbraw/zinc/96/50/84/814965084.db2.gz	GBVFVFWQKLRUCC-MAUKXSAKSA-N	1	0	356.470	1.883	20	30		FDEDRO
[NH3+]C[C@H](NC(=O)c1ccc(OCC(F)(F)C(F)F)nc1)C(F)(F)F	ZINC000655511744	803943170	/nfs/dbraw/zinc/94/31/70/803943170.db2.gz	KMLIJHWZTJYZDO-ZETCQYMHSA-N	1	0	363.233	1.980	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2CC[NH+](C)CC2)c1	ZINC000976893103	804016017	/nfs/dbraw/zinc/01/60/17/804016017.db2.gz	CBDYEBHOAAYGPG-RTBURBONSA-N	1	0	368.481	1.562	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@H]32)cc1	ZINC000976937252	804120942	/nfs/dbraw/zinc/12/09/42/804120942.db2.gz	UCJKFXDPCMHLND-HBRVENNYSA-N	1	0	351.450	1.195	20	30		FDEDRO
C=CCN(Cc1ccccc1F)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1	ZINC000423190429	814995891	/nfs/dbraw/zinc/99/58/91/814995891.db2.gz	SGEOFAFIDNAFPO-YXJHDRRASA-N	1	0	359.445	1.926	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1	ZINC000423193600	814996905	/nfs/dbraw/zinc/99/69/05/814996905.db2.gz	XLZMYCXVNDVGNP-QAPCUYQASA-N	1	0	354.454	1.659	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C23CC[NH+](CC2)C3)cn1	ZINC000976991131	804250276	/nfs/dbraw/zinc/25/02/76/804250276.db2.gz	LTXHHUNEGSOBCE-QZTJIDSGSA-N	1	0	366.465	1.316	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4COCCO4)[C@@H]3C2)cc1C#N	ZINC001075568337	804415960	/nfs/dbraw/zinc/41/59/60/804415960.db2.gz	XRPJBVYZRFFMSP-KVSKMBFKSA-N	1	0	371.437	1.015	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](CC(C)C)OC)C2	ZINC001112526122	804522172	/nfs/dbraw/zinc/52/21/72/804522172.db2.gz	TUVHDMNKWDTFOO-QKLQHJQFSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CCN1C(=O)C1([NH+](C)C)CCC1	ZINC000977799684	804958043	/nfs/dbraw/zinc/95/80/43/804958043.db2.gz	VWMPGOZUMVWOEE-IKGGRYGDSA-N	1	0	363.502	1.511	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCN2C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC000977806690	804970060	/nfs/dbraw/zinc/97/00/60/804970060.db2.gz	JYPLIFQACSICBY-HLLBOEOZSA-N	1	0	357.458	1.290	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1c1ccccc1	ZINC001211674490	805086851	/nfs/dbraw/zinc/08/68/51/805086851.db2.gz	FFWJCYVVDRNSSL-MAUKXSAKSA-N	1	0	352.438	1.888	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1	ZINC000978011391	805122267	/nfs/dbraw/zinc/12/22/67/805122267.db2.gz	YQTIRXKHOFFWNY-KURKYZTESA-N	1	0	368.437	1.598	20	30		FDEDRO
COc1ccc(C[N@H+](C)[C@H]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1C#N	ZINC001027580005	805122445	/nfs/dbraw/zinc/12/24/45/805122445.db2.gz	RDGUHIAYZPWTCA-BBWFWOEESA-N	1	0	370.453	1.111	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](N(C)CC(=O)N2CCCCC2)C1	ZINC001027584475	805154972	/nfs/dbraw/zinc/15/49/72/805154972.db2.gz	MYCDAUAZAWOXBB-KSZLIROESA-N	1	0	363.502	1.513	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)nc1	ZINC000978098357	805195555	/nfs/dbraw/zinc/19/55/55/805195555.db2.gz	POZOSFOHYPDBSE-ZIFCJYIRSA-N	1	0	368.481	1.466	20	30		FDEDRO
C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3cc(OC)ccc3OC)[C@@H]2C1	ZINC000978134060	805211445	/nfs/dbraw/zinc/21/14/45/805211445.db2.gz	UIKCHHWXUGXJCK-YCVVXREPSA-N	1	0	354.450	1.735	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cnnn3CC)C[C@H]21	ZINC000978167020	805234038	/nfs/dbraw/zinc/23/40/38/805234038.db2.gz	MHRYZEWTLRKOKJ-DZVNLGKHSA-N	1	0	359.474	1.073	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4cc(C#N)ccc4F)C[C@H]32)CC[N@@H+]1C	ZINC000978182340	805262645	/nfs/dbraw/zinc/26/26/45/805262645.db2.gz	QMAXLMRWPJMOAC-PYJZQUQOSA-N	1	0	370.472	1.832	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1cccc(OC)c1	ZINC001167914135	807031848	/nfs/dbraw/zinc/03/18/48/807031848.db2.gz	YNWLPOCKUZDCPH-FHLIZLRMSA-N	1	0	357.454	1.033	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1	ZINC000423463790	815090961	/nfs/dbraw/zinc/09/09/61/815090961.db2.gz	VHOHZLZHQOBDMS-KRWDZBQOSA-N	1	0	359.470	1.685	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cc(C(N)=O)cn2C)C1	ZINC001087432120	807215055	/nfs/dbraw/zinc/21/50/55/807215055.db2.gz	ZWNBFLPDJYRDQM-QZTJIDSGSA-N	1	0	366.465	1.898	20	30		FDEDRO
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2	ZINC000423531347	815104247	/nfs/dbraw/zinc/10/42/47/815104247.db2.gz	SMEFYQFMALWIGP-RDGPPVDQSA-N	1	0	366.465	1.638	20	30		FDEDRO
CC1CC[NH+](CC(=O)N[C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)CC1	ZINC000981108266	807565225	/nfs/dbraw/zinc/56/52/25/807565225.db2.gz	QNEHXYVYENYLEZ-DOTOQJQBSA-N	1	0	371.485	1.633	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)c1	ZINC000981111122	807567804	/nfs/dbraw/zinc/56/78/04/807567804.db2.gz	CVAZSTZRNPDYJM-IAOVAPTHSA-N	1	0	369.469	1.243	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1c1ccccc1	ZINC001211698522	807794976	/nfs/dbraw/zinc/79/49/76/807794976.db2.gz	SIEXQKOAWOKCSQ-RBUKOAKNSA-N	1	0	371.481	1.299	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)c(F)c1	ZINC000423636104	815172403	/nfs/dbraw/zinc/17/24/03/815172403.db2.gz	FUXVCQJEWHOBFT-AWEZNQCLSA-N	1	0	374.416	1.017	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)nc1	ZINC000981650844	808277490	/nfs/dbraw/zinc/27/74/90/808277490.db2.gz	MDOIPDHSHKWJDZ-FUHWJXTLSA-N	1	0	368.481	1.419	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+]([C@H](C)C(=O)N(C)C)C2	ZINC000981776392	808475114	/nfs/dbraw/zinc/47/51/14/808475114.db2.gz	LXMJNKQKUMAJGX-ZACQAIPSSA-N	1	0	363.502	1.369	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1	ZINC000423724798	815214609	/nfs/dbraw/zinc/21/46/09/815214609.db2.gz	INHWUZRTCSVDOO-OALUTQOASA-N	1	0	368.481	1.897	20	30		FDEDRO
CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1	ZINC000423726672	815216588	/nfs/dbraw/zinc/21/65/88/815216588.db2.gz	UGVZGVGVFURSOE-ROUUACIJSA-N	1	0	370.453	1.059	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCn1c(C)csc1=O	ZINC001028146544	808686277	/nfs/dbraw/zinc/68/62/77/808686277.db2.gz	IQDJTCQVWACUNU-XHSDSOJGSA-N	1	0	365.499	1.390	20	30		FDEDRO
C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCCC4)O3)C2)C1	ZINC000982009473	809003960	/nfs/dbraw/zinc/00/39/60/809003960.db2.gz	SGVBBRPKVWUPSF-SJORKVTESA-N	1	0	361.486	1.267	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CC(=O)N1CCCC1)C2	ZINC000982023327	809042866	/nfs/dbraw/zinc/04/28/66/809042866.db2.gz	CKMWJZQZKBXLTG-SJORKVTESA-N	1	0	361.486	1.124	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H](C[NH3+])C1CCCC1	ZINC000418613932	809077358	/nfs/dbraw/zinc/07/73/58/809077358.db2.gz	GEVQNOPOQGTBAM-ZFWWWQNUSA-N	1	0	357.462	1.086	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1	ZINC000418661967	809112113	/nfs/dbraw/zinc/11/21/13/809112113.db2.gz	BVDNDPSDYWBUHF-JYJNAYRXSA-N	1	0	371.489	1.333	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CCN1Cc1ccccc1	ZINC000418745715	809184893	/nfs/dbraw/zinc/18/48/93/809184893.db2.gz	WCVMWCDNHXHVOR-GUDVDZBRSA-N	1	0	355.486	1.923	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2nonc2C)C1	ZINC001087440717	809370062	/nfs/dbraw/zinc/37/00/62/809370062.db2.gz	QDTMSNQDFYNXHZ-IEBWSBKVSA-N	1	0	352.438	1.918	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCC(=O)N(CC)CC)C[C@H]1c1ccccc1	ZINC001211726385	809408349	/nfs/dbraw/zinc/40/83/49/809408349.db2.gz	XWIFBKKPPCTSIM-RBUKOAKNSA-N	1	0	355.482	1.852	20	30		FDEDRO
N#Cc1ccccc1OC1CCC(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1	ZINC000419032864	809442009	/nfs/dbraw/zinc/44/20/09/809442009.db2.gz	LBZLGRFFBJYIBX-CGZBRXJRSA-N	1	0	370.453	1.233	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000410685135	809628255	/nfs/dbraw/zinc/62/82/55/809628255.db2.gz	BNGJLJJCPSAEAF-OAQYLSRUSA-N	1	0	373.497	1.506	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1	ZINC000424105303	815308621	/nfs/dbraw/zinc/30/86/21/815308621.db2.gz	JEJXKZYDXKNIIK-KRWDZBQOSA-N	1	0	354.454	1.835	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000893748675	809700624	/nfs/dbraw/zinc/70/06/24/809700624.db2.gz	FKFMQSIPQUOBIN-QGZVFWFLSA-N	1	0	354.454	1.729	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2ccccc2=O)C1	ZINC001087442963	809768342	/nfs/dbraw/zinc/76/83/42/809768342.db2.gz	MHIYIJDCDWQVEQ-WOJBJXKFSA-N	1	0	363.461	1.846	20	30		FDEDRO
C[NH+]=C(NCc1ccn(C2CCCC2)n1)N1CCN(C[C@H]2CCOC2)CC1	ZINC000261691342	809845338	/nfs/dbraw/zinc/84/53/38/809845338.db2.gz	INDKBUIBBIARMT-QGZVFWFLSA-N	1	0	374.533	1.728	20	30		FDEDRO
COC(=O)[C@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)[C@@H]([NH3+])CCCC#N	ZINC000424156902	815320156	/nfs/dbraw/zinc/32/01/56/815320156.db2.gz	RMTGMPAPDKMVGS-HOCLYGCPSA-N	1	0	360.389	1.528	20	30		FDEDRO
C[C@@H]1CC[N@H+](CCNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000894100314	809977339	/nfs/dbraw/zinc/97/73/39/809977339.db2.gz	YPYGXRRSYQHLDX-CRAIPNDOSA-N	1	0	369.469	1.695	20	30		FDEDRO
C[NH+]=C(NCC(C)(C)c1cccs1)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261702565	809991721	/nfs/dbraw/zinc/99/17/21/809991721.db2.gz	JIADEGDLRZUVDY-UHFFFAOYSA-N	1	0	374.514	1.683	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N1CCN(C(=O)C(C)C)CC1	ZINC000261707053	810075393	/nfs/dbraw/zinc/07/53/93/810075393.db2.gz	UTIORAZSNDSTSO-GVDBMIGSSA-N	1	0	362.518	1.710	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc(C(N)=O)c2)C[C@H]1C(F)(F)F	ZINC001112122391	810109218	/nfs/dbraw/zinc/10/92/18/810109218.db2.gz	KTZHOCYWRPZSEP-ZIAGYGMSSA-N	1	0	353.344	1.401	20	30		FDEDRO
C#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cc2cn(CC)nn2)C1	ZINC001087456814	810164315	/nfs/dbraw/zinc/16/43/15/810164315.db2.gz	RJGFWNYBJUDJIC-RTBURBONSA-N	1	0	369.444	1.587	20	30		FDEDRO
Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(CCC#N)Cc2cccnc2)c1	ZINC000424470229	815367031	/nfs/dbraw/zinc/36/70/31/815367031.db2.gz	RGIWLNYPTWGAQT-UHFFFAOYSA-N	1	0	351.410	1.730	20	30		FDEDRO
C[N@H+](CCN1CCN(C(=O)NCC(C)(C)C#N)CC1)Cc1ccccc1	ZINC000512922662	810404347	/nfs/dbraw/zinc/40/43/47/810404347.db2.gz	LADBXSNXEQJAMB-UHFFFAOYSA-N	1	0	357.502	1.995	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC000664078987	810539217	/nfs/dbraw/zinc/53/92/17/810539217.db2.gz	WPDWNUXMIYSMGO-GOSISDBHSA-N	1	0	359.470	1.992	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCCN2CCCC2=O)C1	ZINC001028545833	810631876	/nfs/dbraw/zinc/63/18/76/810631876.db2.gz	MAZRWDXGUFTSIK-KURKYZTESA-N	1	0	363.502	1.418	20	30		FDEDRO
C=CCCn1cc(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)nn1	ZINC000424689781	815414118	/nfs/dbraw/zinc/41/41/18/815414118.db2.gz	LHCZAUUTUZMVHV-UHFFFAOYSA-N	1	0	360.506	1.534	20	30		FDEDRO
C#CCN(C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1	ZINC000729335025	811152755	/nfs/dbraw/zinc/15/27/55/811152755.db2.gz	GMMJKWAENHVSQY-RBUKOAKNSA-N	1	0	374.506	1.548	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCc4ccccc43)C[C@@H]2O)c1	ZINC001083390053	811175438	/nfs/dbraw/zinc/17/54/38/811175438.db2.gz	AFXVKAFNPLDCRB-QYZOEREBSA-N	1	0	350.422	1.739	20	30		FDEDRO
CC(C)c1ccc(C[N@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)cc1	ZINC001083392744	811208759	/nfs/dbraw/zinc/20/87/59/811208759.db2.gz	WNPOFJYGZWKRNI-MOPGFXCFSA-N	1	0	352.438	1.985	20	30		FDEDRO
Cc1nnc(CNC(N[C@H]2CCCN(c3ccccc3)C2)=[NH+]C2CC2)n1C	ZINC000261942664	811348827	/nfs/dbraw/zinc/34/88/27/811348827.db2.gz	DVFQZCPCAFVHOC-KRWDZBQOSA-N	1	0	367.501	1.990	20	30		FDEDRO
CC[NH+]=C(NCc1nnc2n1CCC2)N1CC[C@@H](Oc2ccccn2)C1	ZINC000261945172	811349918	/nfs/dbraw/zinc/34/99/18/811349918.db2.gz	FSJKVONORLDUIF-CQSZACIVSA-N	1	0	355.446	1.238	20	30		FDEDRO
C[NH+]=C(NCC1(C(=O)N(C)C)CCCC1)N1CC[C@@H](C)[C@@H](n2ccnc2)C1	ZINC000261946103	811350138	/nfs/dbraw/zinc/35/01/38/811350138.db2.gz	FZOVZHPENSMMNH-SJORKVTESA-N	1	0	374.533	1.990	20	30		FDEDRO
Cc1nnc(CNC(N[C@@H]2CCc3ncnn3C2)=[NH+]C2CCCCC2)n1C	ZINC000261968774	811356668	/nfs/dbraw/zinc/35/66/68/811356668.db2.gz	MDJAFUOBYLLRCD-OAHLLOKOSA-N	1	0	371.493	1.098	20	30		FDEDRO
C[NH+]=C(NCC(=O)Nc1ccccc1)N1CC[C@@H](Oc2ccccn2)C1	ZINC000261985929	811361155	/nfs/dbraw/zinc/36/11/55/811361155.db2.gz	QEKNBRPRTGLFAB-MRXNPFEDSA-N	1	0	353.426	1.749	20	30		FDEDRO
C=CC[NH+]=C(NCc1nnc(C)n1C)N1CC[C@H](C)[C@@H](n2ccnc2)C1	ZINC000262001981	811364877	/nfs/dbraw/zinc/36/48/77/811364877.db2.gz	UQDYVPZDCVKNRI-HOCLYGCPSA-N	1	0	356.478	1.535	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCCC2)N1CC[C@@H](Oc2ccccn2)C1	ZINC000262017236	811368293	/nfs/dbraw/zinc/36/82/93/811368293.db2.gz	YAIXXEGNJNGZHX-CQSZACIVSA-N	1	0	355.446	1.238	20	30		FDEDRO
CCC(=O)N1CC[C@@H](NC(NCC(=O)N2CCCc3ccccc32)=[NH+]C)C1	ZINC000262025057	811369822	/nfs/dbraw/zinc/36/98/22/811369822.db2.gz	ZMLTVECRVQKQKW-MRXNPFEDSA-N	1	0	371.485	1.142	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cn1	ZINC000982827712	811396989	/nfs/dbraw/zinc/39/69/89/811396989.db2.gz	NGTVCYPCGHCOOL-AYOQOUSVSA-N	1	0	368.481	1.372	20	30		FDEDRO
C[C@@H]1C[C@@H]([NH+]=C(NCC(=O)N(C)C)N[C@@H]2CCOc3ccccc32)CCO1	ZINC000262264748	811427468	/nfs/dbraw/zinc/42/74/68/811427468.db2.gz	FRIMOYIBSMTQNB-HLLBOEOZSA-N	1	0	374.485	1.701	20	30		FDEDRO
C[NH+]=C(NCCOc1ccc2c(c1)OCO2)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000262460784	811472993	/nfs/dbraw/zinc/47/29/93/811472993.db2.gz	MLBVGBSEJITFIE-CQSZACIVSA-N	1	0	371.441	1.593	20	30		FDEDRO
C[NH+]=C(NCCOc1ccc2c(c1)OCO2)N1CC[C@H](c2cnn(C)c2)C1	ZINC000262460783	811473067	/nfs/dbraw/zinc/47/30/67/811473067.db2.gz	MLBVGBSEJITFIE-AWEZNQCLSA-N	1	0	371.441	1.593	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCC2)N1CCN(c2cccc(Cl)c2)CC1	ZINC000262538859	811487955	/nfs/dbraw/zinc/48/79/55/811487955.db2.gz	KQMDSCLZRFULSW-UHFFFAOYSA-N	1	0	373.892	1.775	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1	ZINC000982874739	811817487	/nfs/dbraw/zinc/81/74/87/811817487.db2.gz	QHIYRFBLEUVSAM-ULQDDVLXSA-N	1	0	363.502	1.417	20	30		FDEDRO
CC[NH+]=C(NCC1CCCCC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1	ZINC000261805210	811879563	/nfs/dbraw/zinc/87/95/63/811879563.db2.gz	RXKCASCWTKNUJZ-IBGZPJMESA-N	1	0	363.506	1.842	20	30		FDEDRO
N#CCC[C@@H](NC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1)c1ccccc1	ZINC000419477250	811970425	/nfs/dbraw/zinc/97/04/25/811970425.db2.gz	RHNYMSBCHANNMH-QZTJIDSGSA-N	1	0	350.422	1.964	20	30		FDEDRO
C=CCN(C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(OC)c1)C1CC1	ZINC000419702702	812093739	/nfs/dbraw/zinc/09/37/39/812093739.db2.gz	BTFBNEWLBAKDDS-UHFFFAOYSA-N	1	0	361.442	1.751	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1	ZINC000420062629	813416313	/nfs/dbraw/zinc/41/63/13/813416313.db2.gz	RUJFJGXEWZQJIN-GOSISDBHSA-N	1	0	355.438	1.617	20	30		FDEDRO
N#CC1CCN(C(=O)C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CC1	ZINC000420045633	813423500	/nfs/dbraw/zinc/42/35/00/813423500.db2.gz	AVWKGILSPWKNDX-GOSISDBHSA-N	1	0	350.422	1.718	20	30		FDEDRO
C=CCCCCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1	ZINC000420085250	813444984	/nfs/dbraw/zinc/44/49/84/813444984.db2.gz	AWBMVDFOVSHDHB-PBHICJAKSA-N	1	0	365.424	1.999	20	30		FDEDRO
C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000420149876	813510698	/nfs/dbraw/zinc/51/06/98/813510698.db2.gz	WBIWDGIHAONHRR-KSSFIOAISA-N	1	0	370.453	1.042	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@@H+]1CCCN(c2ncccc2C(N)=O)CC1	ZINC000366544686	813522279	/nfs/dbraw/zinc/52/22/79/813522279.db2.gz	FQVMOHRHFPLDKC-UHFFFAOYSA-N	1	0	365.437	1.773	20	30		FDEDRO
CCC[C@H]1CN(CC(=O)NCc2cccc(C#N)c2)CC[N@@H+]1CCOC	ZINC000501791414	813665472	/nfs/dbraw/zinc/66/54/72/813665472.db2.gz	PWRQXMCQFKJFIX-IBGZPJMESA-N	1	0	358.486	1.607	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(OC)nn2)C1	ZINC001104182584	813794386	/nfs/dbraw/zinc/79/43/86/813794386.db2.gz	GGNGEXFIWIOXGP-HZPDHXFCSA-N	1	0	360.458	1.099	20	30		FDEDRO
C#CCN(C(=O)NCCOC(F)(F)C(F)(F)F)C1CC[NH+](C)CC1	ZINC000923972541	814280954	/nfs/dbraw/zinc/28/09/54/814280954.db2.gz	DHSLMQYUVZZPAF-UHFFFAOYSA-N	1	0	357.323	1.897	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CCN(C(=O)C[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000983091096	814579100	/nfs/dbraw/zinc/57/91/00/814579100.db2.gz	MFNHXDUJRFPYOQ-UXPWSPDFSA-N	1	0	371.525	1.733	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)nn1CCC#N	ZINC000273613064	814797935	/nfs/dbraw/zinc/79/79/35/814797935.db2.gz	RUIGDXXKTISNRG-UHFFFAOYSA-N	1	0	360.462	1.282	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(=[NH+]C)N2CCN(C[C@@H]3CCOC3)CC2)C12CCC2	ZINC000261869816	814815311	/nfs/dbraw/zinc/81/53/11/814815311.db2.gz	ZNFGLBHERAFZIR-OKZBNKHCSA-N	1	0	364.534	1.564	20	30		FDEDRO
C=C(Br)CN1CC[C@H](CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1	ZINC001028800747	815672612	/nfs/dbraw/zinc/67/26/12/815672612.db2.gz	DVKIBLAJBAXVBE-FRRDWIJNSA-N	1	0	358.280	1.057	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1	ZINC001028801928	815695005	/nfs/dbraw/zinc/69/50/05/815695005.db2.gz	GJRDUFWOKQBRIU-NZSAHSFTSA-N	1	0	371.456	1.340	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NCC(C)C	ZINC001167956594	815785936	/nfs/dbraw/zinc/78/59/36/815785936.db2.gz	DJJANUVWAWNAOP-ULQDDVLXSA-N	1	0	353.507	1.614	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)N[C@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1	ZINC000514627441	815909598	/nfs/dbraw/zinc/90/95/98/815909598.db2.gz	JMVDVQHFMXMAPE-ZWKOTPCHSA-N	1	0	357.454	1.734	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)C[C@H](CC#N)c3ccccc3)CC2)C1=O	ZINC000425311356	815970180	/nfs/dbraw/zinc/97/01/80/815970180.db2.gz	PENGMMORCNXRMX-PKOBYXMFSA-N	1	0	368.481	1.885	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1	ZINC000505673965	816018443	/nfs/dbraw/zinc/01/84/43/816018443.db2.gz	ZWPGIWXFNWQZHK-KRWDZBQOSA-N	1	0	372.513	1.886	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(OC)c(OCC(N)=O)c(OC)c1	ZINC000435748595	816163455	/nfs/dbraw/zinc/16/34/55/816163455.db2.gz	GCEXHGPLPIHXCC-KBXCAEBGSA-N	1	0	364.442	1.639	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCCN2CCCC2=O)C1	ZINC001028861024	816291185	/nfs/dbraw/zinc/29/11/85/816291185.db2.gz	INPRWSPRNOMHMM-LNLFQRSKSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=CCn1cc(CNC(=O)N[C@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)nn1	ZINC000425444531	816303386	/nfs/dbraw/zinc/30/33/86/816303386.db2.gz	BSZXLDIGQCVLOV-RDJZCZTQSA-N	1	0	364.494	1.400	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)NC[C@@H]3C[NH2+]CCCO3)CC2)cc1	ZINC000515621227	816348925	/nfs/dbraw/zinc/34/89/25/816348925.db2.gz	JMBQICSABGTLNV-SFHVURJKSA-N	1	0	358.442	1.490	20	30		FDEDRO
C=CCn1cc(CNC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)nn1	ZINC000425490187	816365062	/nfs/dbraw/zinc/36/50/62/816365062.db2.gz	OZFXTXMGRHJKGV-SFHVURJKSA-N	1	0	370.457	1.030	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H](NC(C)=O)c2cccs2)c1C#N	ZINC000516150622	816662693	/nfs/dbraw/zinc/66/26/93/816662693.db2.gz	XVFDZVZOEDGZKM-AWEZNQCLSA-N	1	0	374.470	1.701	20	30		FDEDRO
C=CCC1(C(=O)NC2CC[NH+](CC(=O)N(CC)CC)CC2)CCOCC1	ZINC000516313104	816760002	/nfs/dbraw/zinc/76/00/02/816760002.db2.gz	KCYVRVZACDKZBK-UHFFFAOYSA-N	1	0	365.518	1.808	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)[C@@H]2C1	ZINC000894334879	817087040	/nfs/dbraw/zinc/08/70/40/817087040.db2.gz	FDUYQGSZABLUNJ-AQEOSJORSA-N	1	0	369.469	1.989	20	30		FDEDRO
N#CCCNC(=O)C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000427846930	817113903	/nfs/dbraw/zinc/11/39/03/817113903.db2.gz	BIIZCDUFXYTCPX-INIZCTEOSA-N	1	0	366.425	1.298	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC000516992867	817158252	/nfs/dbraw/zinc/15/82/52/817158252.db2.gz	MAPMGMXIPHVLOM-ROUUACIJSA-N	1	0	365.518	1.685	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C[NH2+]Cc3cnc4c(C#N)cnn4c3)cn2)CCO1	ZINC000517043959	817186869	/nfs/dbraw/zinc/18/68/69/817186869.db2.gz	DBLJFPVGMLIXCQ-CQSZACIVSA-N	1	0	363.425	1.511	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](OC)C2CCC2)C[C@H]1C(F)(F)F	ZINC001112139894	817227443	/nfs/dbraw/zinc/22/74/43/817227443.db2.gz	PAQQLIJTTYWQFI-KFWWJZLASA-N	1	0	362.392	1.430	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1	ZINC000425910004	817365358	/nfs/dbraw/zinc/36/53/58/817365358.db2.gz	SFHKUEWITBNKBA-OALUTQOASA-N	1	0	373.497	1.804	20	30		FDEDRO
N#Cc1ccc(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)nc1	ZINC000517387132	817420008	/nfs/dbraw/zinc/42/00/08/817420008.db2.gz	RGRVSRDFPSHCHB-UHFFFAOYSA-N	1	0	365.441	1.075	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2	ZINC000517387685	817420509	/nfs/dbraw/zinc/42/05/09/817420509.db2.gz	IPBFNIUZMJJFGS-HNNXBMFYSA-N	1	0	359.426	1.160	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N(CCC)CC[NH+](C)C)ccc1F	ZINC000729430994	817600688	/nfs/dbraw/zinc/60/06/88/817600688.db2.gz	DFGBYNKOPKKRAI-UHFFFAOYSA-N	1	0	371.478	1.704	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1	ZINC000518394358	817863597	/nfs/dbraw/zinc/86/35/97/817863597.db2.gz	RPFYGLRBQWKZFU-QGZVFWFLSA-N	1	0	370.453	1.519	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N(C)CC[NH+]2CCCC2)cc1	ZINC000439197787	817896577	/nfs/dbraw/zinc/89/65/77/817896577.db2.gz	JCVCFDDZOPKRCH-UHFFFAOYSA-N	1	0	373.457	1.487	20	30		FDEDRO
Cc1nnc(CNC(N[C@@H]2CCC(=O)N(C)C2)=[NH+]C2CCCCC2)n1C	ZINC000261994231	817982013	/nfs/dbraw/zinc/98/20/13/817982013.db2.gz	RZMJJPUFFHKYKG-OAHLLOKOSA-N	1	0	361.494	1.112	20	30		FDEDRO
CCOc1ccc([C@@H]2CCN(CC#N)C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2C)cc1	ZINC001087470843	818037465	/nfs/dbraw/zinc/03/74/65/818037465.db2.gz	ZPQVXVVXHMGDOT-UFYCRDLUSA-N	1	0	370.497	1.977	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCN(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)[C@@H]2C1	ZINC000894422297	818047845	/nfs/dbraw/zinc/04/78/45/818047845.db2.gz	IVGYAAREMJGJJY-OKZBNKHCSA-N	1	0	367.453	1.005	20	30		FDEDRO
COC(=O)[C@@H]1[C@H](C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1(F)F	ZINC000894556095	818176701	/nfs/dbraw/zinc/17/67/01/818176701.db2.gz	UHAYFORIBQJIAT-ZNMIVQPWSA-N	1	0	363.364	1.303	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2cn(C)nn2)C1	ZINC001087474191	818246189	/nfs/dbraw/zinc/24/61/89/818246189.db2.gz	QFSGKZDUGYZIOV-ROUUACIJSA-N	1	0	369.469	1.988	20	30		FDEDRO
C#CCN(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCOCC2	ZINC000894639664	818274757	/nfs/dbraw/zinc/27/47/57/818274757.db2.gz	QWEVRWLQDFNUKW-DLBZAZTESA-N	1	0	365.518	1.994	20	30		FDEDRO
C#CCN(C)CCC[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2	ZINC000894639667	818274961	/nfs/dbraw/zinc/27/49/61/818274961.db2.gz	QWEVRWLQDFNUKW-IRXDYDNUSA-N	1	0	365.518	1.994	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cc1Cl	ZINC000894662665	818288558	/nfs/dbraw/zinc/28/85/58/818288558.db2.gz	YSMXIJCVVJASHY-DLBZAZTESA-N	1	0	362.861	1.952	20	30		FDEDRO
CCn1nncc1C(=O)N1CC[C@H]2CN(CC#Cc3ccc(F)cc3)C[C@H]21	ZINC001075764487	818317469	/nfs/dbraw/zinc/31/74/69/818317469.db2.gz	ZDKZKTUHMXXEQR-QFBILLFUSA-N	1	0	367.428	1.635	20	30		FDEDRO
COc1ccc([C@@H]2CCN(CC#N)C[C@@H]2NC(=O)C[N@@H+]2CCC[C@H]2C)cc1	ZINC001087475839	818338661	/nfs/dbraw/zinc/33/86/61/818338661.db2.gz	FYCLFMGDGYDEOM-UXPWSPDFSA-N	1	0	370.497	1.977	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@]2(C)CCNC2=O)C1	ZINC001087475891	818339644	/nfs/dbraw/zinc/33/96/44/818339644.db2.gz	IQKLPOSWUHNOLI-BBTUJRGHSA-N	1	0	371.481	1.682	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1	ZINC000983673930	818513697	/nfs/dbraw/zinc/51/36/97/818513697.db2.gz	VTHYCVZPRQLDMW-KMFMINBZSA-N	1	0	357.458	1.337	20	30		FDEDRO
C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)Cn3cnc(C#N)n3)cc2)C1	ZINC000426868462	818576180	/nfs/dbraw/zinc/57/61/80/818576180.db2.gz	GZFGWHSMFVXKJO-AWEZNQCLSA-N	1	0	354.414	1.509	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]Cc2ncnn2CC)CC1	ZINC001029147059	818935752	/nfs/dbraw/zinc/93/57/52/818935752.db2.gz	YVSMRWBHUXEASF-UAGQMJEPSA-N	1	0	361.490	1.606	20	30		FDEDRO
C[NH+](C)CC#CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1	ZINC000894876108	818959243	/nfs/dbraw/zinc/95/92/43/818959243.db2.gz	NOTUOHRIGBFBJO-UHFFFAOYSA-N	1	0	366.443	1.356	20	30		FDEDRO
COc1ccc(NC(=O)C2([NH2+]CC(=O)NCC#N)CCCC2)cc1OC	ZINC000440909819	819166175	/nfs/dbraw/zinc/16/61/75/819166175.db2.gz	OWLVHEQDGIFSBZ-UHFFFAOYSA-N	1	0	360.414	1.184	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H]2CCCC23CCOCC3)CC1	ZINC000328659216	819524438	/nfs/dbraw/zinc/52/44/38/819524438.db2.gz	SHSOTSGHDIHMIW-QZTJIDSGSA-N	1	0	362.518	1.618	20	30		FDEDRO
Cc1cnn(C[C@@H]2CN(C([O-])=[NH+]CC3CC[NH+](C4CC4)CC3)CCO2)c1	ZINC000328601856	819530278	/nfs/dbraw/zinc/53/02/78/819530278.db2.gz	GFUFCQNCURPFLA-SFHVURJKSA-N	1	0	361.490	1.681	20	30		FDEDRO
C[NH+]1CCC([C@@H]2CCN(C(=O)NC3CCN(C(=O)C4CC4)CC3)C2)CC1	ZINC000328751587	819544154	/nfs/dbraw/zinc/54/41/54/819544154.db2.gz	CMEXXMYOGCBPCL-QGZVFWFLSA-N	1	0	362.518	1.965	20	30		FDEDRO
CN1CCN(C(=O)c2cc(NC(=O)N3CCC[C@H](C(N)=O)C3)ccn2)CC1	ZINC000328944885	819584553	/nfs/dbraw/zinc/58/45/53/819584553.db2.gz	ATUSDROPRPURRS-ZDUSSCGKSA-N	1	0	374.445	1.262	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)CC1	ZINC000328908750	819590710	/nfs/dbraw/zinc/59/07/10/819590710.db2.gz	MILKEVPDIVISFO-JTDSTZFVSA-N	1	0	361.490	1.166	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)CC1	ZINC000328908751	819591012	/nfs/dbraw/zinc/59/10/12/819591012.db2.gz	MILKEVPDIVISFO-TXPKVOOTSA-N	1	0	361.490	1.166	20	30		FDEDRO
CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1COCCN1C	ZINC000328974443	819602784	/nfs/dbraw/zinc/60/27/84/819602784.db2.gz	POZPFTAJKWQCGQ-QGZVFWFLSA-N	1	0	362.474	1.756	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1	ZINC000330811560	819644637	/nfs/dbraw/zinc/64/46/37/819644637.db2.gz	BVZDXMWODKGELY-MBOZVWFJSA-N	1	0	363.550	1.530	20	30		FDEDRO
CC(C)C(=O)NC1CCN(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1	ZINC000330995315	819660008	/nfs/dbraw/zinc/66/00/08/819660008.db2.gz	WUKVEJZSGVMNMS-MRXNPFEDSA-N	1	0	367.538	1.021	20	30		FDEDRO
CC(C)CC(=O)N1CCC(NC(=O)N2CCC([N@H+](C)CCO)CC2)CC1	ZINC000331115183	819665797	/nfs/dbraw/zinc/66/57/97/819665797.db2.gz	LNBMAXCMZDBUAH-UHFFFAOYSA-N	1	0	368.522	1.326	20	30		FDEDRO
Cc1cccc(NC(=O)NCC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1	ZINC000331281523	819673663	/nfs/dbraw/zinc/67/36/63/819673663.db2.gz	CNHQCLHQXHSJHH-OAHLLOKOSA-N	1	0	362.474	1.625	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C	ZINC000937445469	819683752	/nfs/dbraw/zinc/68/37/52/819683752.db2.gz	BZHVJAINRQCLIU-FJIDUMEYSA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2CC)CC1	ZINC000937485250	820077860	/nfs/dbraw/zinc/07/78/60/820077860.db2.gz	SGFLBWUSSFOXCJ-NZSAHSFTSA-N	1	0	359.514	1.875	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)CNc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)cc1	ZINC000520570009	820097493	/nfs/dbraw/zinc/09/74/93/820097493.db2.gz	GNBQIQIXUFEGKL-UXHICEINSA-N	1	0	367.449	1.977	20	30		FDEDRO
COC(=O)[C@@H]1CCCN(CCC(=O)Nc2ccccc2C#N)[C@H]1C(=O)OC	ZINC000441633313	820226682	/nfs/dbraw/zinc/22/66/82/820226682.db2.gz	HDPPZURGOAXYEM-RHSMWYFYSA-N	1	0	373.409	1.313	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)[C@H](F)CC)CC1	ZINC000983979095	820366405	/nfs/dbraw/zinc/36/64/05/820366405.db2.gz	DUQQHSNJEJOPMS-BPQIPLTHSA-N	1	0	365.493	1.823	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@]1(C)CCC(=O)N1	ZINC000459142543	820456796	/nfs/dbraw/zinc/45/67/96/820456796.db2.gz	SBPNSQBJYFJWLI-IBGZPJMESA-N	1	0	357.458	1.300	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCCN(C)C1=O	ZINC001029312135	820538958	/nfs/dbraw/zinc/53/89/58/820538958.db2.gz	RUQIXDVSVYKITI-WKULXVSPSA-N	1	0	361.486	1.264	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H](O)COC)C2)C1	ZINC001112162368	820712329	/nfs/dbraw/zinc/71/23/29/820712329.db2.gz	PSEKJGPBLAGJAP-YNEHKIRRSA-N	1	0	350.381	1.329	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ncccc3C)[C@H]2CC)C1=O	ZINC001087535809	820946890	/nfs/dbraw/zinc/94/68/90/820946890.db2.gz	CUUIWYRODZDRBP-GVDBMIGSSA-N	1	0	356.470	1.760	20	30		FDEDRO
C[C@H](C#N)CN(C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1)C1CC1	ZINC000441914364	820983381	/nfs/dbraw/zinc/98/33/81/820983381.db2.gz	JRUPRZDLFLNHNC-CQSZACIVSA-N	1	0	358.442	1.716	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1	ZINC000441986515	821013621	/nfs/dbraw/zinc/01/36/21/821013621.db2.gz	LNDNUQZONPNBAV-HNNXBMFYSA-N	1	0	356.426	1.661	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)CC1	ZINC000520991716	821034550	/nfs/dbraw/zinc/03/45/50/821034550.db2.gz	CBULGOGMTVVAFQ-UHFFFAOYSA-N	1	0	351.410	1.009	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(CNC(C)=O)cc2)CC1	ZINC000442286069	821120215	/nfs/dbraw/zinc/12/02/15/821120215.db2.gz	TZIQSIVLHWQUQU-UHFFFAOYSA-N	1	0	358.442	1.028	20	30		FDEDRO
CO[C@@H]1COC[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000521204664	821142135	/nfs/dbraw/zinc/14/21/35/821142135.db2.gz	DOIYELVAGJWLAE-ZWKOTPCHSA-N	1	0	358.442	1.189	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCCN(O)C3=O)C[C@@H]2C1	ZINC000895158722	821189587	/nfs/dbraw/zinc/18/95/87/821189587.db2.gz	NCPYHAJSIPANKX-LJISPDSOSA-N	1	0	353.463	1.992	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cnn(C)c2N)CCN1Cc1ccc(C#N)cc1F	ZINC001087550583	821361824	/nfs/dbraw/zinc/36/18/24/821361824.db2.gz	HSUXWCIWBASBQM-DLBZAZTESA-N	1	0	370.432	1.796	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnnc(C)c3)[C@H]2CC)C1=O	ZINC001087555860	821440260	/nfs/dbraw/zinc/44/02/60/821440260.db2.gz	GSCDSGWMLVQHEL-BBWFWOEESA-N	1	0	357.458	1.155	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccncc3C)[C@H]2CC)C1=O	ZINC001087566221	821523036	/nfs/dbraw/zinc/52/30/36/821523036.db2.gz	AGGLKXQTGDYNIJ-KSZLIROESA-N	1	0	356.470	1.760	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2conc2CC)[C@@H]1CC	ZINC001087607070	821713001	/nfs/dbraw/zinc/71/30/01/821713001.db2.gz	JMDWSCZLUDJQGG-OTWHNJEPSA-N	1	0	358.486	1.804	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cncc(C)c2)[C@@H]1CC	ZINC001087607024	821713512	/nfs/dbraw/zinc/71/35/12/821713512.db2.gz	GPKFMWYVXAIMBX-ZCNNSNEGSA-N	1	0	354.498	1.957	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@H]1CC	ZINC001087658972	821963075	/nfs/dbraw/zinc/96/30/75/821963075.db2.gz	GETLGTHHBGVHDZ-JKSUJKDBSA-N	1	0	357.520	1.347	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2COCCN2CC(F)F)[C@H]1CC	ZINC001087672844	821982759	/nfs/dbraw/zinc/98/27/59/821982759.db2.gz	KMSBJKVJTSXPPL-ARFHVFGLSA-N	1	0	359.461	1.888	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)[C@H]1CC	ZINC001087679027	821997277	/nfs/dbraw/zinc/99/72/77/821997277.db2.gz	RKPMLRAFWVJLOM-JKSUJKDBSA-N	1	0	357.458	1.431	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3csc(=O)[nH]3)[C@H]2CC)C1=O	ZINC001087693753	822063539	/nfs/dbraw/zinc/06/35/39/822063539.db2.gz	UZNFHGUJIPZYFD-YUTCNCBUSA-N	1	0	364.471	1.218	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+]1Cc1ccc(OC)c(C#N)c1	ZINC001087728988	822259116	/nfs/dbraw/zinc/25/91/16/822259116.db2.gz	BQPCZCPFASLZJN-LTIDMASMSA-N	1	0	370.453	1.157	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccn(CC)n3)[C@H]2CC)C1=O	ZINC001087749161	822358152	/nfs/dbraw/zinc/35/81/52/822358152.db2.gz	WKDCSEVKTFZTNV-USXIJHARSA-N	1	0	359.474	1.273	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2nnc[nH]2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001087767398	822394866	/nfs/dbraw/zinc/39/48/66/822394866.db2.gz	ZDTMGYBKWSTDKO-JKSUJKDBSA-N	1	0	354.414	1.490	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCCN3CCCC3=O)[C@@H]2CC)cn1	ZINC001087801438	822461159	/nfs/dbraw/zinc/46/11/59/822461159.db2.gz	OHTYEHBGZUOREF-RBUKOAKNSA-N	1	0	368.481	1.658	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C[C@@H]3CCNC(=O)CC3)[C@@H]2CC)nc1	ZINC001087802289	822462123	/nfs/dbraw/zinc/46/21/23/822462123.db2.gz	HZMWXNAUOYNGAA-JENIJYKNSA-N	1	0	368.481	1.562	20	30		FDEDRO
CCc1cc(N2CCC[C@@H]([NH2+][C@@H](C(N)=O)c3ccc(C#N)cc3)C2)ncn1	ZINC000522375523	822534967	/nfs/dbraw/zinc/53/49/67/822534967.db2.gz	ZSMYSYCTGWDGLL-IEBWSBKVSA-N	1	0	364.453	1.696	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCC(F)(F)C3)C[C@@H]2O)c[nH]1	ZINC001083418042	822535205	/nfs/dbraw/zinc/53/52/05/822535205.db2.gz	OTLGIGVHHQMCDZ-GLQYFDAESA-N	1	0	352.385	1.487	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC000984440683	822548201	/nfs/dbraw/zinc/54/82/01/822548201.db2.gz	RBQGNHVAGBCLES-AYOQOUSVSA-N	1	0	368.481	1.466	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)cc1C#N	ZINC000439363937	822578867	/nfs/dbraw/zinc/57/88/67/822578867.db2.gz	ZWBZXPQLZKFGBT-AWEZNQCLSA-N	1	0	358.442	1.837	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087849036	822595086	/nfs/dbraw/zinc/59/50/86/822595086.db2.gz	BXXWEODOSBKYQO-KSZLIROESA-N	1	0	369.469	1.570	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NCC[C@H](O)C3CC3)CC2)c1	ZINC000895594053	822667033	/nfs/dbraw/zinc/66/70/33/822667033.db2.gz	GKKVOGTXOGNOJA-IBGZPJMESA-N	1	0	356.470	1.983	20	30		FDEDRO
O=C(C1=COCCO1)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001087874278	822669623	/nfs/dbraw/zinc/66/96/23/822669623.db2.gz	PLHNVXMTQJPDNX-MOPGFXCFSA-N	1	0	352.434	1.707	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cncn3)C[C@@H]2C1	ZINC001087886393	822720796	/nfs/dbraw/zinc/72/07/96/822720796.db2.gz	ILAIJJXIJMMTII-MOPGFXCFSA-N	1	0	364.453	1.520	20	30		FDEDRO
Cc1c(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)cnn1CCC#N	ZINC000895763676	822733904	/nfs/dbraw/zinc/73/39/04/822733904.db2.gz	KWCUJZNWOIHXNL-UHFFFAOYSA-N	1	0	355.442	1.976	20	30		FDEDRO
C[N@@H+](Cc1ccc(C#N)cc1F)C[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001029839784	828481195	/nfs/dbraw/zinc/48/11/95/828481195.db2.gz	JCRPQTBWCSQKRS-BMFZPTHFSA-N	1	0	358.417	1.099	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cnn(Cc3ccncc3)c2)CC1	ZINC000446735062	828538246	/nfs/dbraw/zinc/53/82/46/828538246.db2.gz	ARINZYDTSHEAHF-UHFFFAOYSA-N	1	0	368.441	1.032	20	30		FDEDRO
COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]3C2)nn1	ZINC001087925391	823937208	/nfs/dbraw/zinc/93/72/08/823937208.db2.gz	KGQUOHKKXSKGBY-CABCVRRESA-N	1	0	366.425	1.279	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CCc4nnc[nH]4)C[C@@H]3C2)s1	ZINC001087925901	823938053	/nfs/dbraw/zinc/93/80/53/823938053.db2.gz	JKCOGLLUWYWGFT-KGLIPLIRSA-N	1	0	370.482	1.651	20	30		FDEDRO
CC(C)N1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]3C2)C1=O	ZINC001087939994	824034219	/nfs/dbraw/zinc/03/42/19/824034219.db2.gz	FRZWARZDPSAEPH-UWWQBHOKSA-N	1	0	369.469	1.290	20	30		FDEDRO
Cn1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]3C2)cc1=O	ZINC001087940408	824036172	/nfs/dbraw/zinc/03/61/72/824036172.db2.gz	IJBGJBUNQWZMBU-WBVHZDCISA-N	1	0	365.437	1.179	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)C3C[NH+]([C@H]4CCOC4)C3)CC2)cc1	ZINC000896161111	824133505	/nfs/dbraw/zinc/13/35/05/824133505.db2.gz	AXAVFHVMKWPHEU-KRWDZBQOSA-N	1	0	355.438	1.649	20	30		FDEDRO
CC(C)[C@@H](O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)CC[C@@H]2C1	ZINC001087955288	824142871	/nfs/dbraw/zinc/14/28/71/824142871.db2.gz	FZVFTQNCAMNYOT-WSTZPKSXSA-N	1	0	371.481	1.886	20	30		FDEDRO
C[C@@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1	ZINC001087961866	824183210	/nfs/dbraw/zinc/18/32/10/824183210.db2.gz	MVMPEWMRCDATHO-UHOSZYNNSA-N	1	0	357.498	1.581	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccncc4C)C[C@@H]3C2)C1=O	ZINC001087959818	824190032	/nfs/dbraw/zinc/19/00/32/824190032.db2.gz	PMPXIUZJOKUIGO-AOIWGVFYSA-N	1	0	368.481	1.571	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@@H]2C1	ZINC001087960232	824190979	/nfs/dbraw/zinc/19/09/79/824190979.db2.gz	KVOWJWRAABVVRL-WBVHZDCISA-N	1	0	365.437	1.884	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cn([C@@H]4CCOC4)nc3C)C[C@@H]2C1	ZINC001087965849	824239655	/nfs/dbraw/zinc/23/96/55/824239655.db2.gz	AHLRKLOXFNWBIW-FGTMMUONSA-N	1	0	356.470	1.570	20	30		FDEDRO
CC(C)CNC(=O)N1CCC[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)C1	ZINC000525477854	828631030	/nfs/dbraw/zinc/63/10/30/828631030.db2.gz	MUZBXIOFVTVGMC-KRWDZBQOSA-N	1	0	365.522	1.758	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cn4nccn4)C[C@@H]3C2)cc1	ZINC001087980483	824347112	/nfs/dbraw/zinc/34/71/12/824347112.db2.gz	BMGDELUTPWAKOZ-MSOLQXFVSA-N	1	0	350.426	1.130	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc4cc[nH]cc-4c3=O)C[C@@H]2C1	ZINC001087981696	824351201	/nfs/dbraw/zinc/35/12/01/824351201.db2.gz	QIUULISMRIJFRQ-CABCVRRESA-N	1	0	352.438	1.893	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(OCC(N)=O)c3)C[C@@H]2C1	ZINC001087984753	824458687	/nfs/dbraw/zinc/45/86/87/824458687.db2.gz	OWWBTRUJESQYSI-SJORKVTESA-N	1	0	357.454	1.521	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1NC[C@@H]1CC[N@@H+]1C1CCOCC1	ZINC000896525889	824481512	/nfs/dbraw/zinc/48/15/12/824481512.db2.gz	QIZIVDSNLJPXFO-INIZCTEOSA-N	1	0	365.499	1.816	20	30		FDEDRO
CO[C@@H]1C[C@@H](c2nnc(C3CC3)[nH]2)N(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1	ZINC000329032535	824540138	/nfs/dbraw/zinc/54/01/38/824540138.db2.gz	LTMAWZBTMXGBPG-WCVJEAGWSA-N	1	0	374.489	1.985	20	30		FDEDRO
Cn1cc(N2CCC[C@@H](NC(=O)N3CCCC34CC[NH+](C)CC4)C2=O)cn1	ZINC000329065227	824553521	/nfs/dbraw/zinc/55/35/21/824553521.db2.gz	KTKHIVAVIJHQNI-MRXNPFEDSA-N	1	0	374.489	1.390	20	30		FDEDRO
C[C@H](NC(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@H]1C[N@H+](C)CCN1C	ZINC000896543057	824554770	/nfs/dbraw/zinc/55/47/70/824554770.db2.gz	WMWKKWUCINSGES-KBXCAEBGSA-N	1	0	352.442	1.108	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N2CCN(C)[C@H](c3nc(C4CC4)no3)C2)C[N@@H+]1C1CC1	ZINC000329078189	824561870	/nfs/dbraw/zinc/56/18/70/824561870.db2.gz	QHJXKHNIEIYUBN-INWMFGNUSA-N	1	0	374.489	1.775	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1	ZINC000329079667	824562853	/nfs/dbraw/zinc/56/28/53/824562853.db2.gz	QYSKNLLRWFNUOR-LLLHUVSDSA-N	1	0	364.490	1.095	20	30		FDEDRO
C[C@@H](NC(=O)CCCCOc1cccc(C#N)c1)[C@@H]1C[N@H+](C)CCN1C	ZINC000896561055	824589834	/nfs/dbraw/zinc/58/98/34/824589834.db2.gz	VIOYRFVHXXWRFB-APWZRJJASA-N	1	0	358.486	1.858	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)c3cccc(-n4cncn4)c3)CC2)C1=O	ZINC000329156987	824632984	/nfs/dbraw/zinc/63/29/84/824632984.db2.gz	CYOFMPSSEFIQLK-KRWDZBQOSA-N	1	0	368.441	1.267	20	30		FDEDRO
CN1C(=O)N[C@@H]2CN(C(=O)NC[C@H]3CCC[N@@H+]3C3CCCCC3)CC[C@@H]21	ZINC000329157951	824633937	/nfs/dbraw/zinc/63/39/37/824633937.db2.gz	CQVDYERRFJUAKB-ZACQAIPSSA-N	1	0	363.506	2.000	20	30		FDEDRO
C=CCc1cc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)cc(OC)c1OC	ZINC000896576185	824651579	/nfs/dbraw/zinc/65/15/79/824651579.db2.gz	FXFPPXXCVAFSQN-RHSMWYFYSA-N	1	0	361.486	1.796	20	30		FDEDRO
C[NH+]1CCC2(CCCN2C(=O)COCC(=O)NCc2cccnc2)CC1	ZINC000329187735	824653771	/nfs/dbraw/zinc/65/37/71/824653771.db2.gz	QEWBUMDHUALIPN-UHFFFAOYSA-N	1	0	360.458	1.642	20	30		FDEDRO
Cc1c(C(=O)NCC2=CC[N@H+](C)CC2)nnn1-c1ccc2c(c1)OCCO2	ZINC000329211741	824671823	/nfs/dbraw/zinc/67/18/23/824671823.db2.gz	HGPLCBPYFFCKJH-UHFFFAOYSA-N	1	0	369.425	1.913	20	30		FDEDRO
O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCN(Cc2cn3ccccc3n2)CC1	ZINC000329289390	824715418	/nfs/dbraw/zinc/71/54/18/824715418.db2.gz	IAJSFTIPYVBHDB-MRXNPFEDSA-N	1	0	368.485	1.603	20	30		FDEDRO
Cc1ccc(C(=O)N2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)cc1	ZINC000329320814	824736460	/nfs/dbraw/zinc/73/64/60/824736460.db2.gz	UFXWZCIGGGCQHH-QGZVFWFLSA-N	1	0	356.470	1.904	20	30		FDEDRO
Cc1cc(C)nc(N2CCN(C(=O)N[C@@H]3C[N@H+](C(C)C)C[C@H]3C)CC2)n1	ZINC000329326173	824738141	/nfs/dbraw/zinc/73/81/41/824738141.db2.gz	JFUDZUKREUHYBS-RHSMWYFYSA-N	1	0	360.506	1.858	20	30		FDEDRO
CCc1noc([C@H](C)N2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)n1	ZINC000329325568	824738178	/nfs/dbraw/zinc/73/81/78/824738178.db2.gz	WGADRIXDEQNASX-UONOGXRCSA-N	1	0	362.478	1.461	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccc(C4(C#N)CC4)cc3)CC2)C1=O	ZINC000329324792	824738252	/nfs/dbraw/zinc/73/82/52/824738252.db2.gz	IIGVRUHZQJQWJI-SFHVURJKSA-N	1	0	366.465	1.667	20	30		FDEDRO
CN1C[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4)CC[C@@H]3C2)CC1=O	ZINC001087986145	824758682	/nfs/dbraw/zinc/75/86/82/824758682.db2.gz	XPAGZGKJPVJGFL-QRVBRYPASA-N	1	0	366.465	1.317	20	30		FDEDRO
C[C@@H](CNC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1)[NH+]1CCC(C)CC1	ZINC000329428311	824781766	/nfs/dbraw/zinc/78/17/66/824781766.db2.gz	JLXGEGZDIIDNMY-YESZJQIVSA-N	1	0	367.490	1.470	20	30		FDEDRO
O=C(CN1CCOCC2(CC2)C1)N1CCN(C(=O)Nc2ccccc2)CC1	ZINC000329466330	824813344	/nfs/dbraw/zinc/81/33/44/824813344.db2.gz	RXICGSBVRBKYKE-UHFFFAOYSA-N	1	0	372.469	1.489	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@@H]2CCn3ncc(C(N)=O)c3C2)C1	ZINC000329510334	824843445	/nfs/dbraw/zinc/84/34/45/824843445.db2.gz	MQJHUKQEHHZXID-IIAWOOMASA-N	1	0	374.489	1.659	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C	ZINC000984781328	824876802	/nfs/dbraw/zinc/87/68/02/824876802.db2.gz	CFNVLWGVDWGLHQ-CGTJXYLNSA-N	1	0	371.485	1.868	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(-c4ccn(C)c4)n[nH]3)C[C@@H]2C1	ZINC001087989469	824928067	/nfs/dbraw/zinc/92/80/67/824928067.db2.gz	HAKYCAHHUSWRJX-WBVHZDCISA-N	1	0	351.454	1.832	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)n3nnnc3C(C)(C)C)C[C@@H]2C1	ZINC001087989693	824929776	/nfs/dbraw/zinc/92/97/76/824929776.db2.gz	SGJOYEBSCUPBLW-OAGGEKHMSA-N	1	0	360.506	1.888	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CNC(=O)c4ccccc43)C[C@@H]2C1	ZINC001087996576	825001414	/nfs/dbraw/zinc/00/14/14/825001414.db2.gz	AHWKQYXNPGXJFJ-GJYPPUQNSA-N	1	0	351.450	1.317	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3oc(C)nc3C)CC[C@@H]2C1	ZINC001087998174	825074186	/nfs/dbraw/zinc/07/41/86/825074186.db2.gz	UZSUGLGPHWGYQC-QYZOEREBSA-N	1	0	370.497	1.669	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[C@@H]3N3CCCC3=O)C[C@@H]2C1	ZINC001087998865	825081163	/nfs/dbraw/zinc/08/11/63/825081163.db2.gz	IHAVJCPPEDRYDL-HCXYKTFWSA-N	1	0	357.498	1.581	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCCNC4=O)C[C@@H]3C2)cc1	ZINC001088002581	825110995	/nfs/dbraw/zinc/11/09/95/825110995.db2.gz	LCLIYZDBYNJYKS-QYZOEREBSA-N	1	0	366.465	1.365	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000525876042	828745050	/nfs/dbraw/zinc/74/50/50/828745050.db2.gz	MJKWFSFOIINOKU-UHFFFAOYSA-N	1	0	357.414	1.199	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cn4c(n3)C[C@@H](OC)CC4)C[C@@H]2C1	ZINC001088010509	825222531	/nfs/dbraw/zinc/22/25/31/825222531.db2.gz	XSJCWXCZHZSGFE-IKGGRYGDSA-N	1	0	356.470	1.262	20	30		FDEDRO
O=C(CN1CCN2CCOC[C@H]2C1)NCC1(c2ccccc2)CCOCC1	ZINC000329663381	825256269	/nfs/dbraw/zinc/25/62/69/825256269.db2.gz	JJJWDHAOBQZRJD-LJQANCHMSA-N	1	0	373.497	1.708	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3c(C)nc4ccnn4c3C)C[C@@H]2C1	ZINC001088019270	825311552	/nfs/dbraw/zinc/31/15/52/825311552.db2.gz	DXIJMQJODVZABR-SJORKVTESA-N	1	0	351.454	1.763	20	30		FDEDRO
C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1	ZINC000329716399	825363069	/nfs/dbraw/zinc/36/30/69/825363069.db2.gz	WKIUYGMTCHGCRA-CABCVRRESA-N	1	0	364.490	1.287	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)C1	ZINC000329731599	825406736	/nfs/dbraw/zinc/40/67/36/825406736.db2.gz	IIISKMBYUDMODA-HBPKQKSZSA-N	1	0	364.490	1.983	20	30		FDEDRO
CN(C(=O)CNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCCCC1	ZINC000329777342	825449034	/nfs/dbraw/zinc/44/90/34/825449034.db2.gz	PAVHWMJDUINUBB-INIZCTEOSA-N	1	0	366.506	1.346	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CC(=O)N(c4ccccc4F)C3)[C@@H]2C1	ZINC000329810744	825475491	/nfs/dbraw/zinc/47/54/91/825475491.db2.gz	MOFJLJDIWCLSAH-CKEIUWERSA-N	1	0	360.433	1.871	20	30		FDEDRO
CN(C(=O)CNC(=O)N1CC[NH+](C2CCOCC2)CC1)C1CCCCC1	ZINC000329817700	825478992	/nfs/dbraw/zinc/47/89/92/825478992.db2.gz	OMXCLBKEGIRMTC-UHFFFAOYSA-N	1	0	366.506	1.488	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c(c3)CCC(=O)N4)C[C@@H]2C1	ZINC001088034385	825491082	/nfs/dbraw/zinc/49/10/82/825491082.db2.gz	HVRSWVJAIHFMDO-MSOLQXFVSA-N	1	0	351.450	1.989	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)C1	ZINC000329900038	825532324	/nfs/dbraw/zinc/53/23/24/825532324.db2.gz	FYIWWIHXWVJZOX-ULQDDVLXSA-N	1	0	366.485	1.320	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CCO[C@]2(CCOC2)C1	ZINC000329933614	825550312	/nfs/dbraw/zinc/55/03/12/825550312.db2.gz	BQLHBFIUKPICTI-ZIFCJYIRSA-N	1	0	367.490	1.160	20	30		FDEDRO
Cn1ccnc1[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCN1C	ZINC000329947794	825558718	/nfs/dbraw/zinc/55/87/18/825558718.db2.gz	HFJIZZSXTOFZQT-HMQMGEFJSA-N	1	0	360.506	1.638	20	30		FDEDRO
CC(C)(O)C[NH+]1CCN(C(=O)NCc2ncnn2-c2ccccc2)CC1	ZINC000329993008	825584195	/nfs/dbraw/zinc/58/41/95/825584195.db2.gz	YCHRFYRSMVXDCP-UHFFFAOYSA-N	1	0	358.446	1.070	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)c(OC)n1	ZINC000262347536	825606605	/nfs/dbraw/zinc/60/66/05/825606605.db2.gz	YFPSQROYYRWPOO-UHFFFAOYSA-N	1	0	373.432	1.875	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCOC2CCCCC2)CC1	ZINC000330123783	825656818	/nfs/dbraw/zinc/65/68/18/825656818.db2.gz	LCICCWYPBWYPRI-QGZVFWFLSA-N	1	0	366.506	1.488	20	30		FDEDRO
CC(C)(C)N1C[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1=O	ZINC000330218463	825737857	/nfs/dbraw/zinc/73/78/57/825737857.db2.gz	JKNBZGIHBWAZTA-BZUAXINKSA-N	1	0	366.506	1.267	20	30		FDEDRO
CC[C@@H]1CN(C(=O)N[C@H](C)c2nnc3n2CCC3)C[C@H]1N1CCOCC1	ZINC000330219255	825738119	/nfs/dbraw/zinc/73/81/19/825738119.db2.gz	JZNCCYKCVBGFSG-RBSFLKMASA-N	1	0	362.478	1.242	20	30		FDEDRO
CC(C)N1C[C@@H](NC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CC1=O	ZINC000330239035	825750903	/nfs/dbraw/zinc/75/09/03/825750903.db2.gz	ICEPIHKKFOGGIR-KRWDZBQOSA-N	1	0	366.506	1.344	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCCN(C)C4=O)CC[C@@H]3C2)cc1	ZINC001088061990	825752311	/nfs/dbraw/zinc/75/23/11/825752311.db2.gz	IIISURHNTRJBQI-HSALFYBXSA-N	1	0	365.477	1.683	20	30		FDEDRO
Cc1n[nH]nc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)CC[C@@H]2C1	ZINC001088062465	825755047	/nfs/dbraw/zinc/75/50/47/825755047.db2.gz	GBGOMFDAEGSMBW-CVEARBPZSA-N	1	0	368.416	1.718	20	30		FDEDRO
C[NH+]1CCC2(CCCN2C(=O)NC2CCN(c3cccnn3)CC2)CC1	ZINC000330265872	825780944	/nfs/dbraw/zinc/78/09/44/825780944.db2.gz	ZWACETYTZMTPER-UHFFFAOYSA-N	1	0	358.490	1.920	20	30		FDEDRO
C=CCN1CC[C@H](N(C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1=O	ZINC000281273796	825924537	/nfs/dbraw/zinc/92/45/37/825924537.db2.gz	IDLOKMOQLYTVKY-ZWKOTPCHSA-N	1	0	358.486	1.124	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCC1	ZINC001029508548	825889177	/nfs/dbraw/zinc/88/91/77/825889177.db2.gz	JLVVXAFYNPRXQS-ZMMAXQRCSA-N	1	0	361.486	1.265	20	30		FDEDRO
CN(C(=O)[C@@H]1CC[N@H+](CC(=O)N(CCC#N)CCC#N)C1)c1ccccc1	ZINC000281217629	825911196	/nfs/dbraw/zinc/91/11/96/825911196.db2.gz	SUEVOGMDASMMKP-QGZVFWFLSA-N	1	0	367.453	1.627	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1	ZINC000330323176	825915693	/nfs/dbraw/zinc/91/56/93/825915693.db2.gz	SVQMKNVYYWCXFL-FCEWJHQRSA-N	1	0	367.490	1.424	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(OCC#N)cc1	ZINC000281232200	825919020	/nfs/dbraw/zinc/91/90/20/825919020.db2.gz	UVMZKSLGUHFIKS-ZIAGYGMSSA-N	1	0	353.426	1.798	20	30		FDEDRO
CCC[NH+]1CCC(CNC(=O)N2CCN(C)[C@@H](c3nccn3C)C2)CC1	ZINC000330338713	825942915	/nfs/dbraw/zinc/94/29/15/825942915.db2.gz	VTGYTNUWJJYLIC-QGZVFWFLSA-N	1	0	362.522	1.745	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1=O	ZINC000281363272	825945826	/nfs/dbraw/zinc/94/58/26/825945826.db2.gz	OAXKNZITLXBYEK-INIZCTEOSA-N	1	0	360.414	1.951	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1)C(C)C	ZINC000281581149	826053453	/nfs/dbraw/zinc/05/34/53/826053453.db2.gz	QPOJBBOORYUVOO-LJQANCHMSA-N	1	0	370.497	1.930	20	30		FDEDRO
CN1C(=O)CC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@@H]2C1	ZINC001088078086	826080419	/nfs/dbraw/zinc/08/04/19/826080419.db2.gz	KDPNPNUEQJVFCN-CEXWTWQISA-N	1	0	366.465	1.459	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1	ZINC000281621655	826114780	/nfs/dbraw/zinc/11/47/80/826114780.db2.gz	XAMIFFHPKIEMFL-YLJYHZDGSA-N	1	0	358.486	1.691	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2occc2C)[C@@H]1CC	ZINC000985047791	826232561	/nfs/dbraw/zinc/23/25/61/826232561.db2.gz	QLKZMYNXTUGIRF-BBWFWOEESA-N	1	0	357.454	1.795	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCC(=O)NC4=O)CC[C@@H]3C2)CC1	ZINC001088093220	826354603	/nfs/dbraw/zinc/35/46/03/826354603.db2.gz	OMJDHOIFJCERSA-IXDOHACOSA-N	1	0	359.470	1.318	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nnnn4CC3)C[C@@H]2C1	ZINC001088114207	826455396	/nfs/dbraw/zinc/45/53/96/826455396.db2.gz	AGKYIARTKTZSKE-ZACQAIPSSA-N	1	0	358.490	1.372	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cncs4)CC[C@@H]3C2)nn1	ZINC001088133384	826573426	/nfs/dbraw/zinc/57/34/26/826573426.db2.gz	FAKBZEMXUFGAIT-KGLIPLIRSA-N	1	0	358.471	1.515	20	30		FDEDRO
N#Cc1cccc(-n2c3ncnc-3c(OCc3ccc(C[NH3+])cc3)nc2N)n1	ZINC001168054263	826610995	/nfs/dbraw/zinc/61/09/95/826610995.db2.gz	HIYNQFXQHPHJTD-UHFFFAOYSA-N	1	0	372.392	1.532	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c(C)cc(C)nc3=O)C[C@@H]2C1	ZINC001088151897	826804104	/nfs/dbraw/zinc/80/41/04/826804104.db2.gz	AMTBPPUKENXHAA-MSOLQXFVSA-N	1	0	358.486	1.607	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CC[C@@]1(C)CCC(=O)N1	ZINC000475323185	827149355	/nfs/dbraw/zinc/14/93/55/827149355.db2.gz	XBONFSJXCDOZPK-HXUWFJFHSA-N	1	0	356.470	1.897	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CC3)CC[C@@H]2C1	ZINC001088184257	827313821	/nfs/dbraw/zinc/31/38/21/827313821.db2.gz	WAUSYRQAGNLRPP-MOPGFXCFSA-N	1	0	365.477	1.269	20	30		FDEDRO
C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cc(C)on3)C[C@@H]2C1	ZINC001088198881	827426943	/nfs/dbraw/zinc/42/69/43/827426943.db2.gz	NLEXPXWGBXHQPQ-OLZOCXBDSA-N	1	0	352.822	1.454	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2CC)c1	ZINC000985437144	827827067	/nfs/dbraw/zinc/82/70/67/827827067.db2.gz	VQFMZJJTEDYFGK-RBUKOAKNSA-N	1	0	368.481	1.657	20	30		FDEDRO
COc1ccc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@]34C[C@H]3COC4)C2)cc1C#N	ZINC001029744916	827972080	/nfs/dbraw/zinc/97/20/80/827972080.db2.gz	NCZVRFUMJHUKAD-MDKPJZGXSA-N	1	0	369.465	1.884	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC000985496342	828034515	/nfs/dbraw/zinc/03/45/15/828034515.db2.gz	WVAKRVUSWFRWQP-JLJPHGGASA-N	1	0	357.458	1.480	20	30		FDEDRO
C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)C[C@@H](C)N1CC#N	ZINC000925167798	828296133	/nfs/dbraw/zinc/29/61/33/828296133.db2.gz	DHUCIPBUDFHJNW-FPCVCCKLSA-N	1	0	351.520	1.194	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](CO)[C@H]2CCCO2)cc1	ZINC000447917130	828935651	/nfs/dbraw/zinc/93/56/51/828935651.db2.gz	WUTBARNKOKLOSZ-ZWKOTPCHSA-N	1	0	361.442	1.461	20	30		FDEDRO
CC1(C)C[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C[C@H]1O	ZINC000447922591	828937289	/nfs/dbraw/zinc/93/72/89/828937289.db2.gz	AXKCOJBAECXATL-GOEBONIOSA-N	1	0	362.499	1.160	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([N@@H+](C)[C@H]2CCCNC2=O)CC1	ZINC000985692293	829007782	/nfs/dbraw/zinc/00/77/82/829007782.db2.gz	KERRVFZCJWONCZ-BZSNNMDCSA-N	1	0	363.502	1.559	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C	ZINC000448327090	829092531	/nfs/dbraw/zinc/09/25/31/829092531.db2.gz	GRSCAWREIPSILO-INIZCTEOSA-N	1	0	358.442	1.742	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCCC(=O)NC(C)C)C[C@H]1C(F)(F)F	ZINC001112194102	829242819	/nfs/dbraw/zinc/24/28/19/829242819.db2.gz	MVRRXPPHEVKUDO-ZIAGYGMSSA-N	1	0	361.408	1.684	20	30		FDEDRO
Cc1[nH]c(C#N)cc1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000448905624	829293952	/nfs/dbraw/zinc/29/39/52/829293952.db2.gz	CBLQBZRYSNTGQT-UHFFFAOYSA-N	1	0	367.457	1.317	20	30		FDEDRO
C=C(Br)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001088383178	829362406	/nfs/dbraw/zinc/36/24/06/829362406.db2.gz	XDWQGTSAMLKWTB-XQQFMLRXSA-N	1	0	358.280	1.377	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]Cc2cnnn2CC)C1	ZINC001088385209	829381332	/nfs/dbraw/zinc/38/13/32/829381332.db2.gz	BLXNCOCYSMVPPZ-JQHSSLGASA-N	1	0	361.490	1.750	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C[C@H](O)COc1ccccc1C#N	ZINC000528481176	829420218	/nfs/dbraw/zinc/42/02/18/829420218.db2.gz	QSVNPYRDZKXOOF-APWZRJJASA-N	1	0	359.470	1.483	20	30		FDEDRO
Cn1nccc1[C@H](O)C1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1	ZINC000528563373	829447018	/nfs/dbraw/zinc/44/70/18/829447018.db2.gz	AYCGNRJTIHZNIM-FXAWDEMLSA-N	1	0	370.453	1.477	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H]2COCC[NH2+]2)cc1	ZINC000528678868	829509272	/nfs/dbraw/zinc/50/92/72/829509272.db2.gz	ZZQRBTKRLCJTQA-KRWDZBQOSA-N	1	0	358.442	1.611	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CCn1c(C)csc1=O	ZINC001168110322	829552223	/nfs/dbraw/zinc/55/22/23/829552223.db2.gz	RTYOSQVUHKHCDD-GJZGRUSLSA-N	1	0	353.488	1.295	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)CC4CCC4)C[C@@H]3C2)CC1	ZINC000985876097	829957674	/nfs/dbraw/zinc/95/76/74/829957674.db2.gz	GMMQOMXJHNJCPZ-UXHICEINSA-N	1	0	371.525	1.829	20	30		FDEDRO
Cn1c(C#N)ccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000450447753	829967210	/nfs/dbraw/zinc/96/72/10/829967210.db2.gz	XQOBFXHTYNZGKI-WMZOPIPTSA-N	1	0	352.438	1.510	20	30		FDEDRO
COCC#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@]23C[C@H]2COC3)C1	ZINC001105425590	830233994	/nfs/dbraw/zinc/23/39/94/830233994.db2.gz	PJNSEKLPKSZVQD-MPJJRAAHSA-N	1	0	368.477	1.479	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C1)[NH+](C)C	ZINC000985982580	830238818	/nfs/dbraw/zinc/23/88/18/830238818.db2.gz	GZILCTCYOOFFFV-HFTRVMKXSA-N	1	0	371.485	1.393	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1COC(=O)[C@@H]1CC(=O)N(Cc2ccc(OC)cc2)C1	ZINC000729812377	837438478	/nfs/dbraw/zinc/43/84/78/837438478.db2.gz	UHCAZAYWZLEDER-MSOLQXFVSA-N	1	0	370.449	1.685	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)CNC(=O)NCc1ccc(Cl)cc1	ZINC000729812231	837439964	/nfs/dbraw/zinc/43/99/64/837439964.db2.gz	PJBMMWVEMDMDRN-MRXNPFEDSA-N	1	0	363.845	1.780	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1	ZINC000451708511	830429858	/nfs/dbraw/zinc/42/98/58/830429858.db2.gz	MYOYVHARFAFLIV-SJORKVTESA-N	1	0	358.486	1.841	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1	ZINC000986066944	830480165	/nfs/dbraw/zinc/48/01/65/830480165.db2.gz	MTTVJKNNLZVFGD-HSALFYBXSA-N	1	0	371.525	1.827	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1	ZINC000453639417	830976807	/nfs/dbraw/zinc/97/68/07/830976807.db2.gz	FFVAEVSAPWTFHI-HNNXBMFYSA-N	1	0	358.442	1.884	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)C1	ZINC000453684236	831019762	/nfs/dbraw/zinc/01/97/62/831019762.db2.gz	BLRYSMMPXSDCES-SFHVURJKSA-N	1	0	372.469	1.650	20	30		FDEDRO
CC[NH+]=C(NCC1(C)CCCC1)N1CCN(c2nccn(C)c2=O)CC1	ZINC000262765354	831333946	/nfs/dbraw/zinc/33/39/46/831333946.db2.gz	HBTBSNHHKTXIBE-UHFFFAOYSA-N	1	0	360.506	1.448	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)/C=C/C4CC4)C[C@H]3C2)CC1	ZINC000986244764	831353870	/nfs/dbraw/zinc/35/38/70/831353870.db2.gz	AYNMHVYEERKOJB-KPDZFXRVSA-N	1	0	369.509	1.605	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1	ZINC000986324473	831489616	/nfs/dbraw/zinc/48/96/16/831489616.db2.gz	PUOJSLGQBUOFNV-ZACQAIPSSA-N	1	0	358.486	1.329	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)CC[C@@H]3C2)C1	ZINC000986422529	831653931	/nfs/dbraw/zinc/65/39/31/831653931.db2.gz	REHAWCFITFSENS-OAGGEKHMSA-N	1	0	369.469	1.149	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(C)nc2)C[C@H]1C(F)(F)F	ZINC001112206287	831884694	/nfs/dbraw/zinc/88/46/94/831884694.db2.gz	MGSYQMFPKVZOKN-HZPDHXFCSA-N	1	0	369.387	1.561	20	30		FDEDRO
C[N@@H+](Cc1cccc(C#N)c1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001029964477	831932182	/nfs/dbraw/zinc/93/21/82/831932182.db2.gz	KSXZUXOHTUYIEM-QZTJIDSGSA-N	1	0	356.426	1.894	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@H](C)C[C@H](C)[C@H]3C)CC2)o1	ZINC000475729010	831934795	/nfs/dbraw/zinc/93/47/95/831934795.db2.gz	DMPMHNHKCDKSDQ-QLFBSQMISA-N	1	0	359.474	1.870	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]2C1	ZINC000986593153	832004038	/nfs/dbraw/zinc/00/40/38/832004038.db2.gz	BRJNUVFMSPLZML-BBWFWOEESA-N	1	0	360.502	1.717	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@@H]2C1	ZINC000986594591	832007420	/nfs/dbraw/zinc/00/74/20/832007420.db2.gz	SZEVCOKAGRIQPP-KFWWJZLASA-N	1	0	355.442	1.228	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@@H]2C1	ZINC000986602333	832030951	/nfs/dbraw/zinc/03/09/51/832030951.db2.gz	ZFMBTKJFAAMJNW-FMKPAKJESA-N	1	0	351.410	1.414	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CCNC(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC001059733146	832082070	/nfs/dbraw/zinc/08/20/70/832082070.db2.gz	BMBUMVADXJBFKI-UWWQBHOKSA-N	1	0	371.485	1.585	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)CC[C@@H]3C2)C1	ZINC000986686041	832196766	/nfs/dbraw/zinc/19/67/66/832196766.db2.gz	MXJXWEXMZPUEBX-OAGGEKHMSA-N	1	0	369.469	1.149	20	30		FDEDRO
C=C1CC(C)(C(=O)N2CC[C@@H]3CN(C(=O)C[N@H+]4CC[C@@H](C)C4)C[C@@H]3C2)C1	ZINC000986683700	832219372	/nfs/dbraw/zinc/21/93/72/832219372.db2.gz	ODACJKPQGCFOHY-NXHRZFHOSA-N	1	0	359.514	1.991	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@](C[NH2+]C[C@H](C)O)(c2ccccc2)C1	ZINC001105439749	832385739	/nfs/dbraw/zinc/38/57/39/832385739.db2.gz	KQPPKWWGYOAUNG-YLCUBWEDSA-N	1	0	358.482	1.765	20	30		FDEDRO
N#Cc1cccnc1NCCNC(=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000729602696	832390394	/nfs/dbraw/zinc/39/03/94/832390394.db2.gz	CLKAVNFFDMAELX-UHFFFAOYSA-N	1	0	372.473	1.309	20	30		FDEDRO
CN1CCC[NH+]=C1NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1	ZINC000263104341	832401468	/nfs/dbraw/zinc/40/14/68/832401468.db2.gz	KLCQLCZDDXBIJW-IBGZPJMESA-N	1	0	355.442	1.693	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3ccccn3)[C@H]2C)CC1	ZINC000987222005	832673768	/nfs/dbraw/zinc/67/37/68/832673768.db2.gz	NLXFBYJSTKCJNN-WBVHZDCISA-N	1	0	354.454	1.146	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1	ZINC001059790578	832754459	/nfs/dbraw/zinc/75/44/59/832754459.db2.gz	SALTYRQSFVBVEV-AOIWGVFYSA-N	1	0	365.518	1.663	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cn(C)nn2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088551420	832768625	/nfs/dbraw/zinc/76/86/25/832768625.db2.gz	BOCDBVGBYHIFEK-CJNGLKHVSA-N	1	0	354.414	1.110	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)CC[C@H]1CCC[N@@H+]1C	ZINC000987626104	833502827	/nfs/dbraw/zinc/50/28/27/833502827.db2.gz	RXHSKBHOJPCZOQ-BMFZPTHFSA-N	1	0	357.458	1.480	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)CC[C@@H]1CCC[N@@H+]1C	ZINC000987648249	833515405	/nfs/dbraw/zinc/51/54/05/833515405.db2.gz	ZPVSOOOXNGKOGR-COXVUDFISA-N	1	0	357.458	1.480	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001059831744	833648476	/nfs/dbraw/zinc/64/84/76/833648476.db2.gz	XBMHTJLMKDLFDD-BRWVUGGUSA-N	1	0	351.491	1.274	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000987888307	833748537	/nfs/dbraw/zinc/74/85/37/833748537.db2.gz	QJZQCLIPJMODPS-QILLFSRXSA-N	1	0	371.485	1.537	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@H](CN(C)C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000988031849	833903417	/nfs/dbraw/zinc/90/34/17/833903417.db2.gz	PXSPKSXISGOPOB-JKIFEVAISA-N	1	0	357.458	1.147	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC000988167360	834175984	/nfs/dbraw/zinc/17/59/84/834175984.db2.gz	MYDKVTPVIBLJRZ-ZBFHGGJFSA-N	1	0	371.485	1.870	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C)nc1	ZINC000988199832	834226979	/nfs/dbraw/zinc/22/69/79/834226979.db2.gz	WXBDCFCNFZPRPX-OLMNPRSZSA-N	1	0	366.465	1.124	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCc2nc(C=NNC3=[NH+]CCN3)sc2C1	ZINC000841659038	834273508	/nfs/dbraw/zinc/27/35/08/834273508.db2.gz	HOANBRPOWCIFKX-UHFFFAOYSA-N	1	0	350.448	1.319	20	30		FDEDRO
O=C(OCc1ccccc1N[C@H]1C[NH2+]CC[C@H]1F)ON1C(=O)CCC1=O	ZINC001168226918	834703253	/nfs/dbraw/zinc/70/32/53/834703253.db2.gz	QDBBIJOQWVNPJM-OCCSQVGLSA-N	1	0	365.361	1.516	20	30		FDEDRO
[NH2+]=C(NC[C@@H](N1CCOCC1)C(F)(F)F)N[C@@H]1CCOc2ccccc21	ZINC000262668519	837823064	/nfs/dbraw/zinc/82/30/64/837823064.db2.gz	PYTRJHPUFREQHM-UKRRQHHQSA-N	1	0	372.391	1.678	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001075902832	834994983	/nfs/dbraw/zinc/99/49/83/834994983.db2.gz	JYQVFLPCRJYGIC-FZDIXFNVSA-N	1	0	355.438	1.395	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1	ZINC000897481902	835150916	/nfs/dbraw/zinc/15/09/16/835150916.db2.gz	JRMVVYIOTZTSLX-PKOBYXMFSA-N	1	0	355.486	1.890	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[NH+](CCC(C)(C)C)CC2)n(CCC#N)n1	ZINC000532998429	835615821	/nfs/dbraw/zinc/61/58/21/835615821.db2.gz	GQQSKKWQQDSTQK-UHFFFAOYSA-N	1	0	374.489	1.624	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)n(CCC#N)n1	ZINC000532998970	835616523	/nfs/dbraw/zinc/61/65/23/835616523.db2.gz	TXKVIVBQIKINGY-UHFFFAOYSA-N	1	0	372.473	1.521	20	30		FDEDRO
CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc(C)nn1CCC#N	ZINC000533002909	835619488	/nfs/dbraw/zinc/61/94/88/835619488.db2.gz	RXVYSMRQLKORHW-MRXNPFEDSA-N	1	0	374.489	1.815	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3ocnc3C)[C@@H]2C)CC1	ZINC000988505798	835646409	/nfs/dbraw/zinc/64/64/09/835646409.db2.gz	DMCXXWHWYNBINM-ZBFHGGJFSA-N	1	0	358.442	1.047	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)C[C@H]3C=CCC3)[C@@H]2C)CC1	ZINC000988506014	835656732	/nfs/dbraw/zinc/65/67/32/835656732.db2.gz	IDQPFOWVRSBYQP-AOIWGVFYSA-N	1	0	357.498	1.794	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H](C)n3cccc3)[C@@H]2C)CC1	ZINC000988505974	835656817	/nfs/dbraw/zinc/65/68/17/835656817.db2.gz	GVTUDLOPYDODTK-LMMKCTJWSA-N	1	0	370.497	1.500	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H](CC)SC)[C@@H]2C)CC1	ZINC000988507614	835662223	/nfs/dbraw/zinc/66/22/23/835662223.db2.gz	WYAOWUKPVHBKCP-PVAVHDDUSA-N	1	0	365.543	1.579	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@@H]1C	ZINC000988513005	835697535	/nfs/dbraw/zinc/69/75/35/835697535.db2.gz	FDMDEVHXELDUPS-UKPHBRMFSA-N	1	0	357.458	1.480	20	30		FDEDRO
C=CCN1CC[C@H](N2CC[C@H](NC(=O)c3cc(C4CC4)nn3C)[C@H]2C)C1=O	ZINC001088598407	835914354	/nfs/dbraw/zinc/91/43/54/835914354.db2.gz	OXWBFWDIXKWLED-KMFMINBZSA-N	1	0	371.485	1.277	20	30		FDEDRO
CC(C)(Cc1ccc(C#N)cc1)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O	ZINC000455556574	836166235	/nfs/dbraw/zinc/16/62/35/836166235.db2.gz	QCRVKIXFDMLWNM-QGZVFWFLSA-N	1	0	356.470	1.583	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H]1C	ZINC000988629372	836312593	/nfs/dbraw/zinc/31/25/93/836312593.db2.gz	PWHXAHPFRQVYKQ-RYRKJORJSA-N	1	0	358.486	1.878	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@H]1OC	ZINC001212032203	836346095	/nfs/dbraw/zinc/34/60/95/836346095.db2.gz	PFNACOQOEBMAHY-RTBURBONSA-N	1	0	360.454	1.277	20	30		FDEDRO
C[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)c1nc(-c2ccc(C#N)cn2)no1	ZINC001212038752	836350030	/nfs/dbraw/zinc/35/00/30/836350030.db2.gz	DCHUMQVVQCCAJL-WBMJQRKESA-N	1	0	362.393	1.750	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCC(=O)NC2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088616607	836911317	/nfs/dbraw/zinc/91/13/17/836911317.db2.gz	DFXRTNJRNPWUDC-HFTRVMKXSA-N	1	0	354.454	1.554	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ncoc2C2CC2)[C@@H]1C	ZINC000988737516	836931301	/nfs/dbraw/zinc/93/13/01/836931301.db2.gz	AFUXPLZGXACVLC-KBMXLJTQSA-N	1	0	370.453	1.369	20	30		FDEDRO
COc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[C@@H]3CCNC3=O)[C@H]2C)cc1C#N	ZINC001088618228	837019666	/nfs/dbraw/zinc/01/96/66/837019666.db2.gz	OPWMDMHDBCOKQN-KMFMINBZSA-N	1	0	370.453	1.172	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1OC	ZINC001212092489	837104854	/nfs/dbraw/zinc/10/48/54/837104854.db2.gz	CNHJXMVVVOBDOH-BRWVUGGUSA-N	1	0	354.491	1.600	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1OC	ZINC001212092534	837104944	/nfs/dbraw/zinc/10/49/44/837104944.db2.gz	FOPGOOZEBBPEKX-QZTJIDSGSA-N	1	0	354.491	1.601	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NC[C@H]2CCC3(CCOCC3)[C@H]2O)cc1OC	ZINC000261712142	837265504	/nfs/dbraw/zinc/26/55/04/837265504.db2.gz	VKFBDLMENIIEOT-DYVFJYSZSA-N	1	0	363.458	1.998	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CCOC)C3)[C@H]2C(C)C)nc1	ZINC001105669581	844258916	/nfs/dbraw/zinc/25/89/16/844258916.db2.gz	SPWSXVOQBZVNGN-XCJLJZCSSA-N	1	0	371.481	1.289	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC000989014329	838117840	/nfs/dbraw/zinc/11/78/40/838117840.db2.gz	APVZSJKIQVSSOK-BVGQSLNGSA-N	1	0	369.469	1.480	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C	ZINC000989063480	838257643	/nfs/dbraw/zinc/25/76/43/838257643.db2.gz	ANSUGMRJNOKFBA-APWZRJJASA-N	1	0	365.477	1.412	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)C2)CC1	ZINC000938097551	838334045	/nfs/dbraw/zinc/33/40/45/838334045.db2.gz	UUAVEIAKBYTYIR-RCCFBDPRSA-N	1	0	359.514	1.731	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CCN1C(=O)C#CC1CC1	ZINC000989138952	838459491	/nfs/dbraw/zinc/45/94/91/838459491.db2.gz	IDIGTZSHEUZTGM-PBHICJAKSA-N	1	0	363.421	1.400	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cnn3ccncc23)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088624847	838542296	/nfs/dbraw/zinc/54/22/96/838542296.db2.gz	DLZWNTZAZHAHTQ-KDOFPFPSSA-N	1	0	360.421	1.994	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C)cn1	ZINC000989165311	838552057	/nfs/dbraw/zinc/55/20/57/838552057.db2.gz	DZMQAUIWMREWMS-DAYGRLMNSA-N	1	0	354.454	1.266	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C)cn1	ZINC000989165279	838552274	/nfs/dbraw/zinc/55/22/74/838552274.db2.gz	DNIHIEGNCWCSDE-DAYGRLMNSA-N	1	0	354.454	1.124	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccnc(N(C)C)c2)[C@@H]1C	ZINC001088631204	838622253	/nfs/dbraw/zinc/62/22/53/838622253.db2.gz	YSORQGSZRFAMSK-NEWSRXKRSA-N	1	0	369.513	1.324	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C	ZINC000989188147	838657469	/nfs/dbraw/zinc/65/74/69/838657469.db2.gz	DRKWXFSDKRHGOO-APWZRJJASA-N	1	0	365.477	1.412	20	30		FDEDRO
CON1CCC([N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1	ZINC000459582154	838837538	/nfs/dbraw/zinc/83/75/38/838837538.db2.gz	PXNFAPYISCNMFR-UHFFFAOYSA-N	1	0	368.441	1.640	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000459927365	839092198	/nfs/dbraw/zinc/09/21/98/839092198.db2.gz	LGDFMLHOFLIDJH-UHFFFAOYSA-N	1	0	356.470	1.873	20	30		FDEDRO
CCN(C(=O)C(=O)N(C)C[C@H](C)C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000459910917	839105172	/nfs/dbraw/zinc/10/51/72/839105172.db2.gz	WANRFRLRMHIAEG-AEFFLSMTSA-N	1	0	356.470	1.727	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3[nH]cnc3CC)[C@H]2C)CC1	ZINC000989297787	839323591	/nfs/dbraw/zinc/32/35/91/839323591.db2.gz	OIKJWPHQLLQABE-PBHICJAKSA-N	1	0	371.485	1.037	20	30		FDEDRO
C[NH+]1CCC(CCO)(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1	ZINC000467536232	839348465	/nfs/dbraw/zinc/34/84/65/839348465.db2.gz	PMJXUIOVYYBPCJ-UHFFFAOYSA-N	1	0	353.426	1.321	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN(c3nc(C)cc(C#N)n3)C2)CC[N@@H+]1C	ZINC001059968447	839524100	/nfs/dbraw/zinc/52/41/00/839524100.db2.gz	FTEKAPLGRRSRJQ-RYQLBKOJSA-N	1	0	370.501	1.720	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1	ZINC000989336644	839538062	/nfs/dbraw/zinc/53/80/62/839538062.db2.gz	ZXWLQMWPZHBCFR-XSLAGTTESA-N	1	0	365.518	1.805	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)C(C)(C)C3CC3)[C@H]2C)CC1	ZINC000989359717	839630783	/nfs/dbraw/zinc/63/07/83/839630783.db2.gz	CAQAZPJXNOBBTE-QAPCUYQASA-N	1	0	359.514	1.873	20	30		FDEDRO
C[N@@H+]1C[C@@H](CNC(=O)N2CCN(CCC#N)CC2)[C@H](c2ccccc2)C1	ZINC000897591281	839810432	/nfs/dbraw/zinc/81/04/32/839810432.db2.gz	CVZPGESNLSAGAY-MOPGFXCFSA-N	1	0	355.486	1.573	20	30		FDEDRO
C[NH+]1CCC(CNC(=S)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1	ZINC000760465458	839985426	/nfs/dbraw/zinc/98/54/26/839985426.db2.gz	XEWCQAOCGLAUKY-UHFFFAOYSA-N	1	0	371.554	1.892	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105588023	840037473	/nfs/dbraw/zinc/03/74/73/840037473.db2.gz	QBUGWJRYGUERLL-VVWQDTPRSA-N	1	0	351.491	1.055	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN3CCCC3=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105590212	840122841	/nfs/dbraw/zinc/12/28/41/840122841.db2.gz	IVOUWVZTYSMNCP-SMOSDQRPSA-N	1	0	363.502	1.151	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2c3ccccc3CC[C@H]2F)CC1	ZINC000897674694	840217322	/nfs/dbraw/zinc/21/73/22/840217322.db2.gz	DSWUCMLDVGXDLS-QZTJIDSGSA-N	1	0	359.445	1.895	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105593511	840260722	/nfs/dbraw/zinc/26/07/22/840260722.db2.gz	AQLPOCXIOKDEPU-XSYGEPLQSA-N	1	0	360.502	1.966	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)c3[nH]c4ccccc4c3C#N)CC2)C1=O	ZINC000897756580	840319774	/nfs/dbraw/zinc/31/97/74/840319774.db2.gz	NZZUOFKVAUEDFG-QGZVFWFLSA-N	1	0	365.437	1.464	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3snnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105593929	840381588	/nfs/dbraw/zinc/38/15/88/840381588.db2.gz	JCSJMASSBPGVED-DEICHXMPSA-N	1	0	362.499	1.450	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)N2CCC(CO)([NH2+]CC3CC3)CC2)c1	ZINC000898110073	840776404	/nfs/dbraw/zinc/77/64/04/840776404.db2.gz	IIJMELULFUYUEC-UHFFFAOYSA-N	1	0	356.470	1.591	20	30		FDEDRO
CC(C)CNC(=O)C1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000898324092	840944218	/nfs/dbraw/zinc/94/42/18/840944218.db2.gz	HOHCQFGTMCIOCY-IBGZPJMESA-N	1	0	373.497	1.977	20	30		FDEDRO
CCOC(=O)N1C[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)[C@@H](CO)C1	ZINC000898359334	840965616	/nfs/dbraw/zinc/96/56/16/840965616.db2.gz	PILCYVKSTCHMPJ-AEFFLSMTSA-N	1	0	361.442	1.908	20	30		FDEDRO
CCOC(=O)N1C[C@@H](CO)[C@@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)C1	ZINC000898360012	840966234	/nfs/dbraw/zinc/96/62/34/840966234.db2.gz	WSLKIMBKHSECME-WMZOPIPTSA-N	1	0	360.458	1.575	20	30		FDEDRO
C=CCOc1ccc(C[NH2+][C@@H]2CN(C(=O)OCC)C[C@H]2CO)cc1OC	ZINC000898359486	840966671	/nfs/dbraw/zinc/96/66/71/840966671.db2.gz	QDJKGOZNDPVTPJ-JKSUJKDBSA-N	1	0	364.442	1.799	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(C)C(C)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105600630	840999658	/nfs/dbraw/zinc/99/96/58/840999658.db2.gz	KQZAFYGPFWLULB-HNBVOPMISA-N	1	0	365.518	1.397	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)COCC3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105600470	841010592	/nfs/dbraw/zinc/01/05/92/841010592.db2.gz	HXJLNYQERIHDLZ-HNBVOPMISA-N	1	0	350.503	1.955	20	30		FDEDRO
CCC(=CC(=O)N[C@@H]1CN(CC(=O)N(CC)CCC#N)C[C@H]1OC)CC	ZINC001212109219	841132131	/nfs/dbraw/zinc/13/21/31/841132131.db2.gz	BUDDKRRMZVNALR-IAGOWNOFSA-N	1	0	364.490	1.310	20	30		FDEDRO
C=CCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnnn3C)C2)[C@H]1C(C)C	ZINC001105606440	841203430	/nfs/dbraw/zinc/20/34/30/841203430.db2.gz	DJOHGUDXAQXOOZ-PSBWJHGTSA-N	1	0	361.490	1.247	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cc(C)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105607092	841211716	/nfs/dbraw/zinc/21/17/16/841211716.db2.gz	LJCKFNVIXSAWIZ-IZBJGVDFSA-N	1	0	360.502	1.734	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cc(C)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105607093	841212020	/nfs/dbraw/zinc/21/20/20/841212020.db2.gz	LJCKFNVIXSAWIZ-JYBIWHBTSA-N	1	0	360.502	1.734	20	30		FDEDRO
C=CCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCOCCOC)C2)[C@H]1C(C)C	ZINC001105607787	841235624	/nfs/dbraw/zinc/23/56/24/841235624.db2.gz	YFCGTTPEZSTLIM-HNBVOPMISA-N	1	0	368.518	1.582	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cc[nH]n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105609767	841387206	/nfs/dbraw/zinc/38/72/06/841387206.db2.gz	AZYPZUYBUXBWDR-IZBJGVDFSA-N	1	0	360.502	1.885	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCOCC)C2)[C@@H]1C(C)C	ZINC001105609825	841398617	/nfs/dbraw/zinc/39/86/17/841398617.db2.gz	BQCZQYMYAMBLIG-ZAWLATJESA-N	1	0	354.491	1.192	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@H]1C	ZINC000989995815	841758172	/nfs/dbraw/zinc/75/81/72/841758172.db2.gz	AMDWSKUPFRSXED-QKLQHJQFSA-N	1	0	367.493	1.800	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)[C@H]2C)cn1	ZINC000989996834	841764006	/nfs/dbraw/zinc/76/40/06/841764006.db2.gz	ITNWMJPFVSSCBH-RKVPGOIHSA-N	1	0	354.454	1.266	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCC=C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105612038	841939332	/nfs/dbraw/zinc/93/93/32/841939332.db2.gz	WWVUQMKGCMAGFI-LFGUQSLTSA-N	1	0	366.502	1.358	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105614425	842227642	/nfs/dbraw/zinc/22/76/42/842227642.db2.gz	HEIOFPVGEIZNGS-SOAMZJECSA-N	1	0	354.454	1.489	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105614421	842227702	/nfs/dbraw/zinc/22/77/02/842227702.db2.gz	HEIOFPVGEIZNGS-FTEYMNFISA-N	1	0	354.454	1.489	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnn3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105618794	842234149	/nfs/dbraw/zinc/23/41/49/842234149.db2.gz	ARMCREKPPFAGPR-LBKNJMOBSA-N	1	0	358.486	1.506	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncccc3O)[C@H]2C(C)C)C[C@H]1O	ZINC001105619302	842236951	/nfs/dbraw/zinc/23/69/51/842236951.db2.gz	IVHPORYYHHUPRU-GNUPYSACSA-N	1	0	359.470	1.943	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cccnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105619489	842238060	/nfs/dbraw/zinc/23/80/60/842238060.db2.gz	LXXNLNMQUCUSOL-QCFAMHMHSA-N	1	0	355.482	1.614	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(=O)NCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105620242	842242832	/nfs/dbraw/zinc/24/28/32/842242832.db2.gz	YNAIXPLHENYGNN-XNFNUYLZSA-N	1	0	365.518	1.445	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccnn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105623570	842252388	/nfs/dbraw/zinc/25/23/88/842252388.db2.gz	RPMPJIXBMLUYIE-HNBVOPMISA-N	1	0	360.502	1.505	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(C)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105626767	842257683	/nfs/dbraw/zinc/25/76/83/842257683.db2.gz	HJCRFXLUAIXVEF-WOCWXWTJSA-N	1	0	350.503	1.955	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(CCOC)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637651	842272523	/nfs/dbraw/zinc/27/25/23/842272523.db2.gz	TVWLXRBYYHNRCQ-IKVWTGGYSA-N	1	0	362.514	1.793	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnc(OC)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105637822	842274353	/nfs/dbraw/zinc/27/43/53/842274353.db2.gz	WBUPMWJVYCEOQR-PLOVASNDSA-N	1	0	371.481	1.693	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@@H]1C(C)C	ZINC001105632253	842280093	/nfs/dbraw/zinc/28/00/93/842280093.db2.gz	JYXOGDFEEADRSO-LTDCPUDJSA-N	1	0	351.491	1.055	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3coc(OC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105643112	842328916	/nfs/dbraw/zinc/32/89/16/842328916.db2.gz	SXYQZXZBSCKQCI-NVQRDWNXSA-N	1	0	363.458	1.839	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)cnn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105645451	842394843	/nfs/dbraw/zinc/39/48/43/842394843.db2.gz	AVJBOWOFLQAAEK-ZTRFORPCSA-N	1	0	360.502	1.884	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH]c(=O)n3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105646517	842409004	/nfs/dbraw/zinc/40/90/04/842409004.db2.gz	KDSQUSUPXNHTCF-RGPZOAQRSA-N	1	0	362.474	1.282	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCF)[C@H]2C(C)C)C[C@H]1O	ZINC001105651874	842444768	/nfs/dbraw/zinc/44/47/68/842444768.db2.gz	JKJKUCZEZKMIMW-FPAYPSAMSA-N	1	0	354.466	1.352	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CCO)C3)[C@@H]2C(C)C)CCC1	ZINC001105655159	842482040	/nfs/dbraw/zinc/48/20/40/842482040.db2.gz	FXOVHHQSIGQTML-WWNBULGVSA-N	1	0	350.503	1.691	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnoc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105657613	842495143	/nfs/dbraw/zinc/49/51/43/842495143.db2.gz	ZRKYDEMNVXEAPQ-HBXLWWENSA-N	1	0	359.470	1.840	20	30		FDEDRO
CC(C)C[C@H](NC(=O)Nc1cccc(CC#N)c1)C(=O)NCC[NH+](C)C	ZINC000455901045	842628356	/nfs/dbraw/zinc/62/83/56/842628356.db2.gz	DGPVFTKLRMCHEO-KRWDZBQOSA-N	1	0	359.474	1.967	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(OC)o3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105660900	842636962	/nfs/dbraw/zinc/63/69/62/842636962.db2.gz	ACBSDZWNAKZKNL-YZDADXEPSA-N	1	0	360.454	1.891	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(C)CCOCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105661640	842708873	/nfs/dbraw/zinc/70/88/73/842708873.db2.gz	KPSKYIWNPUTMBI-WIRSXHRWSA-N	1	0	362.514	1.793	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)n[nH]c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105661456	842713419	/nfs/dbraw/zinc/71/34/19/842713419.db2.gz	IUMHEBYWWQVSPB-ZTRFORPCSA-N	1	0	358.486	1.630	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3ncccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105661565	842717962	/nfs/dbraw/zinc/71/79/62/842717962.db2.gz	KDMKIHWKYORFEY-SGLNWRHMSA-N	1	0	370.497	1.399	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)cc1	ZINC001075958676	842802489	/nfs/dbraw/zinc/80/24/89/842802489.db2.gz	FUXDWXIEUKKFBN-QXAKKESOSA-N	1	0	369.465	1.628	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1	ZINC000460804101	842847778	/nfs/dbraw/zinc/84/77/78/842847778.db2.gz	HWXVOKVPKJQASO-MSOLQXFVSA-N	1	0	374.533	1.574	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)Cc2ccc(=O)[nH]c2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088753869	843034695	/nfs/dbraw/zinc/03/46/95/843034695.db2.gz	SOPLKIHKGDZHLU-KDOFPFPSSA-N	1	0	350.422	1.981	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCC(=O)NC4)[C@@H]3C2)c1	ZINC001075977453	843144321	/nfs/dbraw/zinc/14/43/21/843144321.db2.gz	ULJSASMYSRBWET-OKZBNKHCSA-N	1	0	352.438	1.117	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1cccc(CC#N)c1	ZINC000455920037	843153587	/nfs/dbraw/zinc/15/35/87/843153587.db2.gz	NDHSALCOEMUTSB-KRWDZBQOSA-N	1	0	357.458	1.817	20	30		FDEDRO
O=C(Nc1cccc(C#Cc2cccs2)c1)C(=O)N[C@H]1CCC[NH2+]C1	ZINC000667238570	843359241	/nfs/dbraw/zinc/35/92/41/843359241.db2.gz	DZFQEHUUOJDRIW-INIZCTEOSA-N	1	0	353.447	1.955	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCC(=O)N(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667049	843448346	/nfs/dbraw/zinc/44/83/46/843448346.db2.gz	NDAJMHVBQQQXES-XNFNUYLZSA-N	1	0	365.518	1.397	20	30		FDEDRO
O=C(NC[C@H]1CCC[NH2+]1)C(=O)Nc1cccc(C#Cc2cccs2)c1	ZINC000667292074	843552702	/nfs/dbraw/zinc/55/27/02/843552702.db2.gz	NXLNGUFSYYLAIO-MRXNPFEDSA-N	1	0	353.447	1.955	20	30		FDEDRO
CC[NH+]=C(NCCNS(=O)(=O)c1cccnc1)N1CCc2ccccc21	ZINC000151117277	861430941	/nfs/dbraw/zinc/43/09/41/861430941.db2.gz	DCVFNQCSQJQZFC-UHFFFAOYSA-N	1	0	373.482	1.388	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3nnc[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105668451	843796641	/nfs/dbraw/zinc/79/66/41/843796641.db2.gz	XWPGCUGQIHRYBR-VVWQDTPRSA-N	1	0	361.490	1.280	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCC(=O)NCCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105668495	843799879	/nfs/dbraw/zinc/79/98/79/843799879.db2.gz	KFTNMXSOVUVPQV-XNFNUYLZSA-N	1	0	365.518	1.445	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCCn2nc(C(=O)OC)cc21)C1CC[NH+](C)CC1	ZINC000898423293	844671964	/nfs/dbraw/zinc/67/19/64/844671964.db2.gz	SFAMCFARQBCUES-OAHLLOKOSA-N	1	0	373.457	1.244	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CC([NH+]3CCCC3)C2)CC1	ZINC000898599754	844915474	/nfs/dbraw/zinc/91/54/74/844915474.db2.gz	SNJKXRRAWIZQHO-UHFFFAOYSA-N	1	0	361.486	1.944	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)[C@H]1CCCO1	ZINC000842161970	845110141	/nfs/dbraw/zinc/11/01/41/845110141.db2.gz	DNTHZZZCNKKRMC-IPMKNSEASA-N	1	0	365.433	1.253	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1	ZINC000490573912	861532124	/nfs/dbraw/zinc/53/21/24/861532124.db2.gz	YMJXLOOCCDTQMK-INIZCTEOSA-N	1	0	373.457	1.485	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nonc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105672436	845148053	/nfs/dbraw/zinc/14/80/53/845148053.db2.gz	AFOWISZDBPYCIG-RRIFGTCXSA-N	1	0	362.474	1.924	20	30		FDEDRO
C=C(Cl)CN1CC[C@H](NC(=O)[C@H]2COCCN2C2CCCC2)[C@H]1C	ZINC001088813627	845449768	/nfs/dbraw/zinc/44/97/68/845449768.db2.gz	CZUMSVJNUNXQFW-HYVNUMGLSA-N	1	0	355.910	1.961	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]12CCC[C@H]1[N@H+](CCn1cccn1)CC2	ZINC000990740704	845457683	/nfs/dbraw/zinc/45/76/83/845457683.db2.gz	KYBBGAZYPJPFKI-RMJJICAUSA-N	1	0	358.486	1.978	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnc(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105675726	845744564	/nfs/dbraw/zinc/74/45/64/845744564.db2.gz	RCYPZURDDZMGSG-SOAMZJECSA-N	1	0	356.470	1.388	20	30		FDEDRO
C#CC[C@H]1NC(=O)N(CCC[NH+]2CCN(c3ccc(OC)cc3)CC2)C1=O	ZINC000842236484	845844657	/nfs/dbraw/zinc/84/46/57/845844657.db2.gz	SUZDYPZVRFNNEM-GOSISDBHSA-N	1	0	370.453	1.151	20	30		FDEDRO
C[NH+](C)CCCN1C(=O)C[C@@H](N2CCO[C@@H](c3ccc(C#N)cc3)C2)C1=O	ZINC000899252008	845997119	/nfs/dbraw/zinc/99/71/19/845997119.db2.gz	FYOCFXWJZNEDRH-QZTJIDSGSA-N	1	0	370.453	1.011	20	30		FDEDRO
C[NH+](C)CCn1nccc1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000899967399	846955412	/nfs/dbraw/zinc/95/54/12/846955412.db2.gz	JGGJSSOBZLZGBV-UHFFFAOYSA-N	1	0	366.469	1.274	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](CNc3ccc(C#N)nn3)C2)CC[N@@H+]1C	ZINC001060099172	847280041	/nfs/dbraw/zinc/28/00/41/847280041.db2.gz	UQEYGFKKESXCSJ-HYVNUMGLSA-N	1	0	356.474	1.729	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4ccc(C(N)=O)[nH]4)[C@@H]3C2)cc1	ZINC001076252518	847699619	/nfs/dbraw/zinc/69/96/19/847699619.db2.gz	JOEHSYFGZBOOGS-MAUKXSAKSA-N	1	0	363.421	1.332	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CC[C@H]3C[N@H+](CC[C@H]4CCCO4)C[C@H]32)nn1	ZINC001076344889	847919284	/nfs/dbraw/zinc/91/92/84/847919284.db2.gz	DRWDRSJBABAOTB-LZLYRXPVSA-N	1	0	359.474	1.570	20	30		FDEDRO
N#Cc1ccccc1CN1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1	ZINC001076467622	848193640	/nfs/dbraw/zinc/19/36/40/848193640.db2.gz	OWJHCDJTUGHDIT-RBUKOAKNSA-N	1	0	350.466	1.687	20	30		FDEDRO
N#Cc1ccc(F)c(CN2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)c1	ZINC001076467834	848195142	/nfs/dbraw/zinc/19/51/42/848195142.db2.gz	VKMHSUDXNFBRNJ-QFBILLFUSA-N	1	0	368.456	1.826	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(Cc4cncc(OC)n4)C[C@H]32)cn1	ZINC001076476864	848241952	/nfs/dbraw/zinc/24/19/52/848241952.db2.gz	GBOUMBNVZRTQLF-MAUKXSAKSA-N	1	0	363.421	1.208	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]21	ZINC001076501156	848294483	/nfs/dbraw/zinc/29/44/83/848294483.db2.gz	YUBXNUDWLXVDHT-AYOQOUSVSA-N	1	0	353.466	1.220	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4[nH]cnc4C)[C@@H]3C2)cc1C#N	ZINC001076644828	848645523	/nfs/dbraw/zinc/64/55/23/848645523.db2.gz	XHEQZAMFXCKDOE-DOTOQJQBSA-N	1	0	365.437	1.945	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CCC[NH+]1CCCC1	ZINC001076740488	848913031	/nfs/dbraw/zinc/91/30/31/848913031.db2.gz	XUWJMRISHSQNCV-KSZLIROESA-N	1	0	365.518	1.855	20	30		FDEDRO
CCCc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)cc1	ZINC001076898560	849283275	/nfs/dbraw/zinc/28/32/75/849283275.db2.gz	PDCIDHPMYIHEJQ-RTBURBONSA-N	1	0	352.438	1.814	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088836913	849469746	/nfs/dbraw/zinc/46/97/46/849469746.db2.gz	FCJWCKUUIVWMKY-CJNGLKHVSA-N	1	0	369.425	1.421	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(Cc3cc(F)ccc3C#N)C[C@H]2O)CC[N@@H+]1C	ZINC001077027017	849575018	/nfs/dbraw/zinc/57/50/18/849575018.db2.gz	XXXRUOSZRWRKCD-WJFTUGDTSA-N	1	0	374.460	1.089	20	30		FDEDRO
C=C(Cl)C[C@@H](NC(=O)CCN1CC[NH+](C(C)C)CC1)C(=O)OCC	ZINC000913437074	862048459	/nfs/dbraw/zinc/04/84/59/862048459.db2.gz	BTSQPQUYPJSGRO-OAHLLOKOSA-N	1	0	359.898	1.593	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@@H]2O)cc1	ZINC001083578032	850916862	/nfs/dbraw/zinc/91/68/62/850916862.db2.gz	RPEXAJAUHNDQTR-IPELMVKDSA-N	1	0	360.454	1.453	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1O	ZINC001083578387	850942624	/nfs/dbraw/zinc/94/26/24/850942624.db2.gz	JCEYFKJNQCJWOG-JQHSSLGASA-N	1	0	360.454	1.453	20	30		FDEDRO
CCO[C@@H]1COCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000484638135	851002025	/nfs/dbraw/zinc/00/20/25/851002025.db2.gz	JYOUVNLNWKXKHY-DLBZAZTESA-N	1	0	369.425	1.466	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCCN2c2ccnc(C#N)n2)CC[N@@H+]1C	ZINC001060184486	851395218	/nfs/dbraw/zinc/39/52/18/851395218.db2.gz	HPGISHOQAPZMCA-OWCLPIDISA-N	1	0	356.474	1.554	20	30		FDEDRO
Cc1cc(C#N)nc(N2CCCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1	ZINC001060184707	851404570	/nfs/dbraw/zinc/40/45/70/851404570.db2.gz	LIDSRCXCPNWHPF-DJIMGWMZSA-N	1	0	356.474	1.472	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCCN2c2nc(C)cc(C#N)n2)CC[N@@H+]1C	ZINC001060184885	851443113	/nfs/dbraw/zinc/44/31/13/851443113.db2.gz	NTHFXYVVEIREPZ-FGTMMUONSA-N	1	0	370.501	1.862	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1	ZINC000904958472	851553141	/nfs/dbraw/zinc/55/31/41/851553141.db2.gz	HBUVXEOHAHEJMS-MRXNPFEDSA-N	1	0	360.483	1.569	20	30		FDEDRO
COC(=O)Cn1cc(C(=O)/C=C\c2ccc(N3CC[NH+](C)CC3)cc2)nn1	ZINC000905084556	851635629	/nfs/dbraw/zinc/63/56/29/851635629.db2.gz	LXYGJSAGQYUGEX-YVMONPNESA-N	1	0	369.425	1.099	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H]([NH2+]C[C@@H](O)CCC3(O)CCC3)C2=O)cc1	ZINC000905227486	851737011	/nfs/dbraw/zinc/73/70/11/851737011.db2.gz	AUIATZHQQRLBIJ-ZWKOTPCHSA-N	1	0	357.454	1.305	20	30		FDEDRO
C#C[C@H]([NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)C1CCOCC1	ZINC000905382195	851880660	/nfs/dbraw/zinc/88/06/60/851880660.db2.gz	QZKLGAKYKPLHBL-JKSUJKDBSA-N	1	0	372.531	1.006	20	30		FDEDRO
C#C[C@H]([NH2+]C[C@H](O)CC1(O)CCC(C(=O)OCC)CC1)C1CCOCC1	ZINC000905384372	851882527	/nfs/dbraw/zinc/88/25/27/851882527.db2.gz	WBQVDOOUUJCGMZ-NNVNDSJASA-N	1	0	367.486	1.240	20	30		FDEDRO
C#CCC[C@@H](O)C[NH2+]C[C@@]1(O)CCCN(C(=O)OCc2ccccc2)C1	ZINC000905365344	851892297	/nfs/dbraw/zinc/89/22/97/851892297.db2.gz	OLFKMAMWGKISRK-QUCCMNQESA-N	1	0	360.454	1.514	20	30		FDEDRO
Cc1cccc(NC(=O)N2CCC[C@H](C(=O)NCC#CC[NH+](C)C)C2)c1	ZINC000913516724	862299433	/nfs/dbraw/zinc/29/94/33/862299433.db2.gz	CAXQWRZRAFOLRV-KRWDZBQOSA-N	1	0	356.470	1.920	20	30		FDEDRO
C[C@@H](Sc1ncccc1C(=O)NCC#CC[NH+](C)C)C(=O)N1CCCC1	ZINC000913518524	862303254	/nfs/dbraw/zinc/30/32/54/862303254.db2.gz	SKAYUWRUFLJTJL-OAHLLOKOSA-N	1	0	374.510	1.479	20	30		FDEDRO
COc1cccc([C@H]2[C@H](C(=O)NCC#CC[NH+](C)C)CC(=O)N2C2CC2)c1	ZINC000913520239	862305116	/nfs/dbraw/zinc/30/51/16/862305116.db2.gz	JCQXPECXPFQZTL-QUCCMNQESA-N	1	0	369.465	1.428	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)C1CCN(c2ccc3cccc(O)c3n2)CC1	ZINC000913520818	862306176	/nfs/dbraw/zinc/30/61/76/862306176.db2.gz	ZJIGUWMCPKELDL-UHFFFAOYSA-N	1	0	366.465	1.838	20	30		FDEDRO
C#Cc1cccc(NC(=S)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)c1	ZINC000905554110	852027154	/nfs/dbraw/zinc/02/71/54/852027154.db2.gz	BQEXONLKNZAEGD-LJQANCHMSA-N	1	0	372.538	1.751	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC[C@H](O)COc1ccc(C#N)cc1)c1cccnc1	ZINC000905555779	852031818	/nfs/dbraw/zinc/03/18/18/852031818.db2.gz	GEJNYKAJGIWLIO-AZUAARDMSA-N	1	0	354.454	1.976	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCN2CC(F)(F)F)cc1	ZINC000905564782	852039120	/nfs/dbraw/zinc/03/91/20/852039120.db2.gz	NIGSVHFCWKYCDC-LSDHHAIUSA-N	1	0	357.376	1.914	20	30		FDEDRO
C[NH+](C)CC[C@@H](NCCS(=O)(=O)c1ccc(C#N)cn1)c1cccnc1	ZINC000905549409	852050460	/nfs/dbraw/zinc/05/04/60/852050460.db2.gz	FMZMTSQRFYKUNV-QGZVFWFLSA-N	1	0	373.482	1.405	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]1C[NH2+]C[C@H](O)COc1ccccc1C#N	ZINC000905589741	852079673	/nfs/dbraw/zinc/07/96/73/852079673.db2.gz	ARRZVHZTHCSYPV-HOTGVXAUSA-N	1	0	361.442	1.897	20	30		FDEDRO
C=CCn1c(C)cc(C(=O)Cn2cc(CN3CCC([NH3+])CC3)nn2)c1C	ZINC000905783522	852246464	/nfs/dbraw/zinc/24/64/64/852246464.db2.gz	IQBSEJVXSROCLT-UHFFFAOYSA-N	1	0	356.474	1.688	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@H]1COC(C)(C)C1)C(C)C	ZINC000668531990	852721096	/nfs/dbraw/zinc/72/10/96/852721096.db2.gz	QMEOFFJFKNZBGJ-HZPDHXFCSA-N	1	0	351.491	1.485	20	30		FDEDRO
CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000906700296	853178353	/nfs/dbraw/zinc/17/83/53/853178353.db2.gz	GYWVUJRTLCUYOL-LBPRGKRZSA-N	1	0	365.231	1.373	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1OC	ZINC001212145920	862477723	/nfs/dbraw/zinc/47/77/23/862477723.db2.gz	DRCRCFFBDCTVFA-XUVXKRRUSA-N	1	0	358.482	1.599	20	30		FDEDRO
CCOC(=O)Nc1ccc(NC(=O)C2CN(C)CC[N@H+](C)C2)cc1C#N	ZINC000907100616	853791631	/nfs/dbraw/zinc/79/16/31/853791631.db2.gz	ADYZSRPGIJZBIR-UHFFFAOYSA-N	1	0	359.430	1.559	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(Br)c(C#N)c2)C1	ZINC000907240646	853964456	/nfs/dbraw/zinc/96/44/56/853964456.db2.gz	YTUJWSYINMDCIM-JTQLQIEISA-N	1	0	358.261	1.551	20	30		FDEDRO
COc1ccc2c(c1)CCC[C@@H]2CNC(=[NH2+])NCCCN1CCOCC1	ZINC000164300272	862526939	/nfs/dbraw/zinc/52/69/39/862526939.db2.gz	UOWNKNAVPWLWJX-QGZVFWFLSA-N	1	0	360.502	1.742	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1CCCc2cc(OC)ccc21	ZINC000164310726	862531757	/nfs/dbraw/zinc/53/17/57/862531757.db2.gz	QBBBUBGXHQQDKD-KRWDZBQOSA-N	1	0	360.502	1.612	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCCN(Cc2ccc(OC)cc2)C(=O)C1	ZINC000907428156	854196644	/nfs/dbraw/zinc/19/66/44/854196644.db2.gz	XCDDNNVSFAORNO-UHFFFAOYSA-N	1	0	359.470	1.764	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2cnccc2C#N)cc1	ZINC000486329414	854224995	/nfs/dbraw/zinc/22/49/95/854224995.db2.gz	XZFHQEPSZUXZMF-UHFFFAOYSA-N	1	0	351.410	1.175	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N[C@@]12CCC[C@@H]1[N@H+](CC#Cc1ccccc1)CC2	ZINC000991121263	855143890	/nfs/dbraw/zinc/14/38/90/855143890.db2.gz	SOYYGRDNWOCOLX-WCCBULMPSA-N	1	0	368.477	1.955	20	30		FDEDRO
O=C(Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)c1cccc(C#CCO)c1	ZINC000908319949	855284528	/nfs/dbraw/zinc/28/45/28/855284528.db2.gz	YOHLJWPMAFDFNZ-FQEVSTJZSA-N	1	0	350.418	1.849	20	30		FDEDRO
N#C[C@@]1(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC2CCC1CC2	ZINC000908377191	855361680	/nfs/dbraw/zinc/36/16/80/855361680.db2.gz	GCGGRXQGSZRFCX-UHYCVJNDSA-N	1	0	360.502	1.815	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CC2CCC(C)(C)CC2)C[C@H]1OC	ZINC001212150370	862672141	/nfs/dbraw/zinc/67/21/41/862672141.db2.gz	VQIKPSOPYQEEFS-IAGOWNOFSA-N	1	0	363.502	1.158	20	30		FDEDRO
C[C@@H](O)C[C@H]1CCC[N@@H+]1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O	ZINC000155442669	855447866	/nfs/dbraw/zinc/44/78/66/855447866.db2.gz	SYYWKKGLNKRSSC-RHSMWYFYSA-N	1	0	356.426	1.515	20	30		FDEDRO
C#CCCCc1nnc(N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)n1C	ZINC000908528884	855526949	/nfs/dbraw/zinc/52/69/49/855526949.db2.gz	BMIAEHBUZQFTBJ-UHFFFAOYSA-N	1	0	358.490	1.081	20	30		FDEDRO
C=CCn1c(C2CCOCC2)nnc1N1CC[NH+](C2CCOCC2)CC1	ZINC000908672812	855691848	/nfs/dbraw/zinc/69/18/48/855691848.db2.gz	VHINJSUNCKFQLK-UHFFFAOYSA-N	1	0	361.490	1.659	20	30		FDEDRO
C=CCn1c(-c2ccc(=O)n(C)c2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000908741514	855738760	/nfs/dbraw/zinc/73/87/60/855738760.db2.gz	YYMFEVCEUTYWSH-MRXNPFEDSA-N	1	0	354.458	1.503	20	30		FDEDRO
CC1(C)CO[C@H](CC(=O)N[C@@H]2CN(CC#Cc3ccccc3)C[C@@H]2O)C1	ZINC001083633660	856869866	/nfs/dbraw/zinc/86/98/66/856869866.db2.gz	IUDWKMHNCBTNOV-QRVBRYPASA-N	1	0	356.466	1.405	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[N@@H+](CC)C[C@H]2C)c1	ZINC000910295294	857071423	/nfs/dbraw/zinc/07/14/23/857071423.db2.gz	KYTRGWVSEGKZFE-OAHLLOKOSA-N	1	0	365.499	1.707	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1	ZINC000668826590	857143472	/nfs/dbraw/zinc/14/34/72/857143472.db2.gz	GPRPCBLIDMYEQB-KRWDZBQOSA-N	1	0	363.502	1.562	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2CC2)C[C@H]1C[NH2+]CC(=O)NCC#Cc1ccccc1	ZINC001105745811	862887349	/nfs/dbraw/zinc/88/73/49/862887349.db2.gz	QVRDVBKOUMWPPA-VQIMIIECSA-N	1	0	353.466	1.248	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1	ZINC000910599648	857393510	/nfs/dbraw/zinc/39/35/10/857393510.db2.gz	JYAPXFDBKWXPEE-OAHLLOKOSA-N	1	0	360.483	1.665	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2cc(COC)cs2)CC1	ZINC000668835644	857508029	/nfs/dbraw/zinc/50/80/29/857508029.db2.gz	FUINZYJFXGPGLG-UHFFFAOYSA-N	1	0	365.499	1.667	20	30		FDEDRO
C#CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1	ZINC000910725701	857559129	/nfs/dbraw/zinc/55/91/29/857559129.db2.gz	URVAKXSAJQPPCI-IAGOWNOFSA-N	1	0	354.454	1.381	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H](CO)Cc2ccccc2)CC1	ZINC000668841245	857667906	/nfs/dbraw/zinc/66/79/06/857667906.db2.gz	HXLVRUNBJGKRDQ-IBGZPJMESA-N	1	0	373.497	1.205	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CC[C@@H](c2ccccc2F)C1)C1CC[NH+](C)CC1	ZINC000910884794	857833939	/nfs/dbraw/zinc/83/39/39/857833939.db2.gz	DPHPQSVHFWRPFY-MRXNPFEDSA-N	1	0	371.456	1.698	20	30		FDEDRO
C#CCN(C(=O)C(=O)N(C)Cc1ccc(Cl)nc1)C1CC[NH+](C)CC1	ZINC000910885540	857837183	/nfs/dbraw/zinc/83/71/83/857837183.db2.gz	KWWMVCZWPUCEOK-UHFFFAOYSA-N	1	0	362.861	1.249	20	30		FDEDRO
C#CCN(C(=O)C(=O)N(C)C[C@H](C)c1ccccc1)C1CC[NH+](C)CC1	ZINC000910886941	857839869	/nfs/dbraw/zinc/83/98/69/857839869.db2.gz	XZNULKJGZRUAOK-KRWDZBQOSA-N	1	0	355.482	1.805	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CC[C@H](Cc2ccncc2)C1)C1CC[NH+](C)CC1	ZINC000910887077	857841430	/nfs/dbraw/zinc/84/14/30/857841430.db2.gz	YZAYCUVRKKFRAN-GOSISDBHSA-N	1	0	368.481	1.029	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCCC[C@H]1C1(C[NH3+])CCC1	ZINC000910952317	857923669	/nfs/dbraw/zinc/92/36/69/857923669.db2.gz	JLVMMIRZPGBDGX-ULQDDVLXSA-N	1	0	363.502	1.594	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21	ZINC000911014662	858040105	/nfs/dbraw/zinc/04/01/05/858040105.db2.gz	JNVCJSLRVKFOQH-OXJNMPFZSA-N	1	0	373.453	1.067	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@H](C(N)=O)C1	ZINC000669336587	863011132	/nfs/dbraw/zinc/01/11/32/863011132.db2.gz	MYHNBHULMVBMGB-XHSDSOJGSA-N	1	0	374.489	1.092	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21	ZINC000911330250	858471322	/nfs/dbraw/zinc/47/13/22/858471322.db2.gz	JMCOIRDAWAJUME-OXJNMPFZSA-N	1	0	373.453	1.067	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(C[NH3+])(c2ccccc2)CC1	ZINC000911316720	858485810	/nfs/dbraw/zinc/48/58/10/858485810.db2.gz	RZLBGIDBEKLHSV-WMZOPIPTSA-N	1	0	371.481	1.213	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1	ZINC000911403172	858590635	/nfs/dbraw/zinc/59/06/35/858590635.db2.gz	NQPNCMNPTAXJIW-MRXNPFEDSA-N	1	0	372.444	1.552	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)c1	ZINC000911404453	858593552	/nfs/dbraw/zinc/59/35/52/858593552.db2.gz	ZFUDTDFSOHNIIW-CRAIPNDOSA-N	1	0	372.444	1.694	20	30		FDEDRO
C[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000488806093	858752111	/nfs/dbraw/zinc/75/21/11/858752111.db2.gz	UJNANXRSJVXSNU-AYBZRNKSSA-N	1	0	374.460	1.237	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C	ZINC000668884388	858894405	/nfs/dbraw/zinc/89/44/05/858894405.db2.gz	JJDVYRQXMLSCPH-INIZCTEOSA-N	1	0	359.470	1.857	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1C	ZINC001106864635	881368651	/nfs/dbraw/zinc/36/86/51/881368651.db2.gz	UGBQHAWVVVNAIU-MGPQQGTHSA-N	1	0	357.445	1.797	20	30		FDEDRO
CCCCCCC[C@]1(C)NC(=O)N(NC(=S)NCC[NH+](C)C)C1=O	ZINC000916122512	881380283	/nfs/dbraw/zinc/38/02/83/881380283.db2.gz	OUWZWZMSHAAQCC-INIZCTEOSA-N	1	0	357.524	1.598	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1	ZINC000668910990	859221430	/nfs/dbraw/zinc/22/14/30/859221430.db2.gz	NUADTGRLYZQDOM-IAGOWNOFSA-N	1	0	362.518	1.086	20	30		FDEDRO
CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)C2CN(C)CC[N@H+](C)C2)C1	ZINC000912256217	859510602	/nfs/dbraw/zinc/51/06/02/859510602.db2.gz	SXWMMPSWHQZPER-LJQANCHMSA-N	1	0	355.486	1.089	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@]2(C)C[NH+]3CCC2CC3)c1	ZINC000912381652	859662065	/nfs/dbraw/zinc/66/20/65/859662065.db2.gz	FPQDXMQDBOQYPL-GOSISDBHSA-N	1	0	363.483	1.365	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N[C@@H]1COC2(CN(C(=O)OC(C)(C)C)C2)C1	ZINC000912431270	859733181	/nfs/dbraw/zinc/73/31/81/859733181.db2.gz	VHBJGRZZVROJLL-AWEZNQCLSA-N	1	0	353.463	1.389	20	30		FDEDRO
COCC[NH+]=C(NCc1nnc(-c2ccc(OC)cc2)[nH]1)NC(C)(C)C	ZINC000912509990	859833819	/nfs/dbraw/zinc/83/38/19/859833819.db2.gz	XIWSCJXMQZHQSB-UHFFFAOYSA-N	1	0	360.462	1.960	20	30		FDEDRO
CC(C)C[NH+]=C(NCCCn1nc2n(c1=O)CCCC2)NC(C)(C)C	ZINC000912509819	859834027	/nfs/dbraw/zinc/83/40/27/859834027.db2.gz	SPWVZXGAMDNETG-UHFFFAOYSA-N	1	0	350.511	1.761	20	30		FDEDRO
C#CCOc1cccc(NC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1	ZINC000129440780	859922307	/nfs/dbraw/zinc/92/23/07/859922307.db2.gz	MJDYYYNJGDGXDX-SFHVURJKSA-N	1	0	374.485	1.913	20	30		FDEDRO
C=CCn1c(-c2cc[nH]n2)nnc1N1CC[N@H+](CCOC)[C@H](CCC)C1	ZINC000669031196	860288422	/nfs/dbraw/zinc/28/84/22/860288422.db2.gz	GPBDVOZYUGEKRW-OAHLLOKOSA-N	1	0	359.478	1.791	20	30		FDEDRO
Cc1cccn2cc(C(=O)N3C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C3)cc12	ZINC001106871871	881561940	/nfs/dbraw/zinc/56/19/40/881561940.db2.gz	UBTHGMQUNNLVJE-NVXWUHKLSA-N	1	0	367.453	1.185	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cnc(C)cn2)C[C@H]1C	ZINC001105781866	863138005	/nfs/dbraw/zinc/13/80/05/863138005.db2.gz	ISZJVIWAAHOLTQ-NVXWUHKLSA-N	1	0	371.485	1.283	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCCC)C1	ZINC001112101537	863299389	/nfs/dbraw/zinc/29/93/89/863299389.db2.gz	RGMXCTLOZAOROD-HUUCEWRRSA-N	1	0	364.408	1.822	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)c3ccc[nH]3)C[C@H]2C)c1	ZINC001105817751	863360094	/nfs/dbraw/zinc/36/00/94/863360094.db2.gz	WJOALKLJYIVIOH-NVXWUHKLSA-N	1	0	364.449	1.932	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2n[nH]cc2F)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088841336	863461794	/nfs/dbraw/zinc/46/17/94/863461794.db2.gz	ZHKBKIMUUYEPJL-WBMJQRKESA-N	1	0	357.389	1.844	20	30		FDEDRO
Cc1nn(C)c(Cl)c1C[NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C	ZINC001105848499	863493704	/nfs/dbraw/zinc/49/37/04/863493704.db2.gz	ZEZSOPVPYVZJNR-DGCLKSJQSA-N	1	0	369.922	1.823	20	30		FDEDRO
CC(C)[C@@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C	ZINC001105849462	863498630	/nfs/dbraw/zinc/49/86/30/863498630.db2.gz	VOEAWTDLRXDWFB-RBSFLKMASA-N	1	0	354.520	1.088	20	30		FDEDRO
N#CCSCC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCNC(=O)CC1)C2	ZINC001111600458	863643503	/nfs/dbraw/zinc/64/35/03/863643503.db2.gz	UDEFWLJVKFRVHR-MPGHIAIKSA-N	1	0	364.515	1.130	20	30		FDEDRO
CO[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1NC(=O)/C=C/c1ccc[nH]1	ZINC001212172859	863691972	/nfs/dbraw/zinc/69/19/72/863691972.db2.gz	UFOGKRAYRJKXIR-JNVNVXKGSA-N	1	0	350.422	1.915	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)/C(C)=C\CC)C[C@H]1C	ZINC001105894035	863735357	/nfs/dbraw/zinc/73/53/57/863735357.db2.gz	NLSTWJHJHUYMAO-IHUPONJKSA-N	1	0	364.490	1.427	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cc1	ZINC000991662170	863766774	/nfs/dbraw/zinc/76/67/74/863766774.db2.gz	HCXWKSBYMVRYBH-RBUKOAKNSA-N	1	0	369.465	1.370	20	30		FDEDRO
CNC(=O)c1ccc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)nn1	ZINC000593515396	863785013	/nfs/dbraw/zinc/78/50/13/863785013.db2.gz	OAAHLFOJPZESRR-UHFFFAOYSA-N	1	0	350.426	1.784	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)O1	ZINC001033186669	881700106	/nfs/dbraw/zinc/70/01/06/881700106.db2.gz	XZTKVGQBQUFUSY-ATZDWAIDSA-N	1	0	356.470	1.310	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCCOC)C[C@H]1C	ZINC001105918456	863996677	/nfs/dbraw/zinc/99/66/77/863996677.db2.gz	IDHCWFBMSLOTPB-QZTJIDSGSA-N	1	0	365.518	1.688	20	30		FDEDRO
Cc1ccsc1CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C	ZINC001105946353	864190559	/nfs/dbraw/zinc/19/05/59/864190559.db2.gz	RHFPRNBNVOVBCD-RRFJBIMHSA-N	1	0	362.499	1.517	20	30		FDEDRO
COCCOCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)c(C#N)c2)[C@H](C)C1	ZINC001105951359	864210866	/nfs/dbraw/zinc/21/08/66/864210866.db2.gz	CVPVXVRUOAFMPB-RHSMWYFYSA-N	1	0	363.433	1.544	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCOCC=C)C[C@H]1C	ZINC001105984524	864341948	/nfs/dbraw/zinc/34/19/48/864341948.db2.gz	MYIJTGCDMPDRLE-IXDOHACOSA-N	1	0	351.491	1.344	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]CCO[C@@H]1CC1(F)F	ZINC001105985713	864353098	/nfs/dbraw/zinc/35/30/98/864353098.db2.gz	QMRQVARVFCYXGC-UXIGCNINSA-N	1	0	352.385	1.608	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)CCc2nnc[nH]2)C[C@H]1C	ZINC001105992553	864409085	/nfs/dbraw/zinc/40/90/85/864409085.db2.gz	ROABDOTZEGQINM-ZYHUDNBSSA-N	1	0	356.268	1.330	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]CC(=O)N1CCCCCC1	ZINC001106015581	864655097	/nfs/dbraw/zinc/65/50/97/864655097.db2.gz	HKCZOSRWRFMODN-HZPDHXFCSA-N	1	0	371.485	1.587	20	30		FDEDRO
C=CCN1CC(=O)N(Cc2ccc(N3CC[NH+](CC)CC3)c(F)c2)C1=O	ZINC000761273320	864733120	/nfs/dbraw/zinc/73/31/20/864733120.db2.gz	AOPKQMPYSFPCCL-UHFFFAOYSA-N	1	0	360.433	1.918	20	30		FDEDRO
Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)on1	ZINC001106025262	864788119	/nfs/dbraw/zinc/78/81/19/864788119.db2.gz	QXJGZGHBDGEJKF-BXUZGUMPSA-N	1	0	370.413	1.119	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)[C@H](C)C1	ZINC001106025864	864813929	/nfs/dbraw/zinc/81/39/29/864813929.db2.gz	LCHLIDTZKFOOMJ-BRWVUGGUSA-N	1	0	354.516	1.299	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]CCOC[C@@H]1CCCO1	ZINC001106027817	864864520	/nfs/dbraw/zinc/86/45/20/864864520.db2.gz	HQSHECZAARYFGO-KYJSFNMBSA-N	1	0	360.458	1.380	20	30		FDEDRO
CCC[C@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC001106029001	864875958	/nfs/dbraw/zinc/87/59/58/864875958.db2.gz	DGRCVMACWKBFFY-IJEWVQPXSA-N	1	0	359.474	1.489	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C)C(=O)N1CCCCC1	ZINC001106029395	864878328	/nfs/dbraw/zinc/87/83/28/864878328.db2.gz	PBUSVDNMXIUGGQ-BFYDXBDKSA-N	1	0	371.485	1.585	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCCC(F)(F)C2)[C@H](C)C1	ZINC001106034611	864913931	/nfs/dbraw/zinc/91/39/31/864913931.db2.gz	INQYBNRRMHWQDE-BZUAXINKSA-N	1	0	369.456	1.636	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C3CC3)cc2)[C@H](C)C1	ZINC001106035123	864915004	/nfs/dbraw/zinc/91/50/04/864915004.db2.gz	NQHMOLSURXBZRO-OXQOHEQNSA-N	1	0	367.493	1.888	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1OC	ZINC001212187383	864940823	/nfs/dbraw/zinc/94/08/23/864940823.db2.gz	QSXHRAOKCYVSEI-WOJBJXKFSA-N	1	0	366.465	1.991	20	30		FDEDRO
COc1ccc2ccccc2c1CNC(=[NH2+])NCCCN1CCOCC1	ZINC000170911107	865016010	/nfs/dbraw/zinc/01/60/10/865016010.db2.gz	DCGGMTHRODSWGP-UHFFFAOYSA-N	1	0	356.470	1.975	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CCCN2CCCC2=O)[C@H](C)C1	ZINC001106064786	865108741	/nfs/dbraw/zinc/10/87/41/865108741.db2.gz	IEKOBKIRDNQBGA-GPMSIDNRSA-N	1	0	351.491	1.010	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1	ZINC001060395141	865135247	/nfs/dbraw/zinc/13/52/47/865135247.db2.gz	UDQVSKYZIWUJHW-BBWFWOEESA-N	1	0	351.491	1.274	20	30		FDEDRO
C=CCN1CC[C@@H](N2CC[C@H](NC(=O)c3cc(C4CC4)no3)[C@H]2C)C1=O	ZINC001088892400	865257671	/nfs/dbraw/zinc/25/76/71/865257671.db2.gz	XBQNCFHUGZHONT-IVMMDQJWSA-N	1	0	358.442	1.532	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+](CCn3cccn3)[C@@H]2C)cc1	ZINC001088906466	865369326	/nfs/dbraw/zinc/36/93/26/865369326.db2.gz	WRXYFRWMFZOOPD-APWZRJJASA-N	1	0	352.438	1.788	20	30		FDEDRO
C=CCN1CC[C@@H](N2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)[C@H]2C)C1=O	ZINC001088939280	865583127	/nfs/dbraw/zinc/58/31/27/865583127.db2.gz	HPVNXXIWQBKLKO-FGTMMUONSA-N	1	0	362.518	1.084	20	30		FDEDRO
CCCN(Cn1c(C)nnc1-c1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000172607013	865722009	/nfs/dbraw/zinc/72/20/09/865722009.db2.gz	FTWBOIJTMSMWRE-QGZVFWFLSA-N	1	0	373.482	1.982	20	30		FDEDRO
COc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)nn1	ZINC001088960251	865722032	/nfs/dbraw/zinc/72/20/32/865722032.db2.gz	XDIZUTCWAUBGQH-CJNGLKHVSA-N	1	0	351.410	1.750	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(N)=O)cc3)[C@@H]2C)cn1	ZINC001088990681	865949962	/nfs/dbraw/zinc/94/99/62/865949962.db2.gz	KDUQVJMNNKUPGH-KUHUBIRLSA-N	1	0	362.433	1.555	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)NCc1ccc(C#N)c(F)c1)[NH+]1CCN(C)CC1	ZINC000457624777	867595204	/nfs/dbraw/zinc/59/52/04/867595204.db2.gz	RVOMOWIGKLYGOA-GOSISDBHSA-N	1	0	361.465	1.769	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@H+]1CCOC	ZINC000504057126	867893574	/nfs/dbraw/zinc/89/35/74/867893574.db2.gz	VBXMWYDAULAHOE-QGZVFWFLSA-N	1	0	359.470	1.971	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2cccc(OCC(=O)OCC)c2)CC1	ZINC000929537565	867963041	/nfs/dbraw/zinc/96/30/41/867963041.db2.gz	PQJIAILDZYUASS-UHFFFAOYSA-N	1	0	359.426	1.848	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]Cc2cc(-c3cnn(C)c3)no2)[C@H](C)C1	ZINC001106099987	868058819	/nfs/dbraw/zinc/05/88/19/868058819.db2.gz	WCHRGVOFJLVOFH-HZPDHXFCSA-N	1	0	369.469	1.919	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC2CC(NC(=O)[C@@H]3C[C@H]3C3CCC3)C2)CC1	ZINC000992184202	868211563	/nfs/dbraw/zinc/21/15/63/868211563.db2.gz	CMZOUXZOVPIMRK-OSXBXZONSA-N	1	0	371.525	1.779	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C[NH2+]CC(=O)Nc1nccs1	ZINC001106109047	868298515	/nfs/dbraw/zinc/29/85/15/868298515.db2.gz	BTNTZYPYAUKNAG-ZIAGYGMSSA-N	1	0	362.499	1.815	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C(=O)NC)cc2)[C@H](C)C1	ZINC001106111038	868379119	/nfs/dbraw/zinc/37/91/19/868379119.db2.gz	GHOAAXHPQVQREU-JTDSTZFVSA-N	1	0	371.481	1.269	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCCCC2)[C@H](C)C1	ZINC001106111202	868387285	/nfs/dbraw/zinc/38/72/85/868387285.db2.gz	INYSFUBCNWHDBR-FGTMMUONSA-N	1	0	363.502	1.111	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)c2cn(CCOC)nn2)C[C@H]1C	ZINC001106111216	868388541	/nfs/dbraw/zinc/38/85/41/868388541.db2.gz	IUCLSMPVCJDJBV-IAGOWNOFSA-N	1	0	363.506	1.969	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+][C@H](C)c2nnc(C)s2)[C@H](C)C1	ZINC001106114574	868497887	/nfs/dbraw/zinc/49/78/87/868497887.db2.gz	CXRCYDZZAOZJKE-UMVBOHGHSA-N	1	0	350.488	1.632	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cccc(C)c2)[C@H](C)C1	ZINC001106115036	868514274	/nfs/dbraw/zinc/51/42/74/868514274.db2.gz	MYSSDEGTFNDCHY-QZTJIDSGSA-N	1	0	371.481	1.658	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nn(C)cc2Cl)[C@H](C)C1	ZINC001106116818	868581524	/nfs/dbraw/zinc/58/15/24/868581524.db2.gz	OOMJWQAQVIFKJR-MGPQQGTHSA-N	1	0	352.866	1.296	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nn(C)cc2Cl)[C@H](C)C1	ZINC001106116817	868581706	/nfs/dbraw/zinc/58/17/06/868581706.db2.gz	OOMJWQAQVIFKJR-HZSPNIEDSA-N	1	0	352.866	1.296	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2c[nH]cc2-c2cnn(C)c2)C[C@H]1C	ZINC001106123427	868888824	/nfs/dbraw/zinc/88/88/24/868888824.db2.gz	SVTBVFQPYZFPAG-HZPDHXFCSA-N	1	0	369.469	1.363	20	30		FDEDRO
CN(C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC001033295330	882246849	/nfs/dbraw/zinc/24/68/49/882246849.db2.gz	SYAQJHAYIYBWDL-ZGXWSNOMSA-N	1	0	369.465	1.642	20	30		FDEDRO
COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)C1	ZINC000464995810	869085525	/nfs/dbraw/zinc/08/55/25/869085525.db2.gz	NWNIMROLPMZWNP-VQIMIIECSA-N	1	0	350.422	1.962	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@@H]1O	ZINC001083853154	882280346	/nfs/dbraw/zinc/28/03/46/882280346.db2.gz	FLYKZDNUBHWTLW-WOZUAGRISA-N	1	0	370.493	1.818	20	30		FDEDRO
C[N@H+]1CC=C(CNC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1	ZINC000271940749	869653755	/nfs/dbraw/zinc/65/37/55/869653755.db2.gz	WHUMPPIZYHYIRF-UHFFFAOYSA-N	1	0	366.343	1.894	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@]3(C)C2)c1	ZINC000992685416	871316526	/nfs/dbraw/zinc/31/65/26/871316526.db2.gz	BIAVXNPKQJNSJP-LQWHRVPQSA-N	1	0	366.465	1.078	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@H](O)Cn2cccn2)[C@H](C)C1	ZINC001106179091	871629167	/nfs/dbraw/zinc/62/91/67/871629167.db2.gz	GYKRUMBBDSOTOX-BMFZPTHFSA-N	1	0	368.909	1.707	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)NC[C@H](C)N1CC[NH+](C)CC1	ZINC000914172984	871671914	/nfs/dbraw/zinc/67/19/14/871671914.db2.gz	ZODOWCFPNUXZSS-INIZCTEOSA-N	1	0	364.515	1.230	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H](C)C2CCN(C(=O)OCC)CC2)CC1	ZINC000922076379	871880094	/nfs/dbraw/zinc/88/00/94/871880094.db2.gz	JTWGNNSWQMWLTK-HNNXBMFYSA-N	1	0	364.490	1.640	20	30		FDEDRO
CC[C@H](C(=O)N1C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@]2(C)C1)[NH+](C)C	ZINC000992806144	872393429	/nfs/dbraw/zinc/39/34/29/872393429.db2.gz	KYRJBBBFPZVQEJ-ZSZQSSIHSA-N	1	0	357.458	1.147	20	30		FDEDRO
C=CC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2	ZINC001003071469	872523959	/nfs/dbraw/zinc/52/39/59/872523959.db2.gz	SMDNJPPMJIWEIT-ZACQAIPSSA-N	1	0	373.501	1.519	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCn2nc(C)nc2C)C1	ZINC001033498270	882628868	/nfs/dbraw/zinc/62/88/68/882628868.db2.gz	WIUCYTUHQMHULF-BZSNNMDCSA-N	1	0	361.490	1.409	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCCc2nc(C)no2)C1	ZINC001033498581	882628961	/nfs/dbraw/zinc/62/89/61/882628961.db2.gz	ZKCLCAMWNKNPSS-RYRKJORJSA-N	1	0	362.474	1.825	20	30		FDEDRO
C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)Cc1csc(C#N)c1	ZINC000914387907	872645562	/nfs/dbraw/zinc/64/55/62/872645562.db2.gz	IXWZVNTVVJCBEI-ZDUSSCGKSA-N	1	0	356.517	1.065	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)Cc2csc(C#N)c2)C[C@H]1[NH+]1CCCC1	ZINC000914391122	872700459	/nfs/dbraw/zinc/70/04/59/872700459.db2.gz	RBZMQNKJJUZDRO-HUUCEWRRSA-N	1	0	371.553	1.961	20	30		FDEDRO
C#CCN(C(=O)NC[C@H]1CCC2(CCOCC2)CO1)C1CC[NH+](C)CC1	ZINC000923999974	872726886	/nfs/dbraw/zinc/72/68/86/872726886.db2.gz	IUGCVYXRLGOIST-GOSISDBHSA-N	1	0	363.502	1.701	20	30		FDEDRO
Cc1nc(Cl)sc1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106182279	873029103	/nfs/dbraw/zinc/02/91/03/873029103.db2.gz	NOMBEHWNNRPALK-MWLCHTKSSA-N	1	0	369.878	1.042	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)CN2CCCNC2=O)[C@H](OC)C1	ZINC001212509922	873097047	/nfs/dbraw/zinc/09/70/47/873097047.db2.gz	PYQNNDRYRQILGZ-HZPDHXFCSA-N	1	0	354.495	1.188	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]3(C)C2)C1	ZINC000992894959	873107614	/nfs/dbraw/zinc/10/76/14/873107614.db2.gz	IETRZDHYSSCWPQ-LAUBAEHRSA-N	1	0	357.498	1.439	20	30		FDEDRO
C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1CN(C(=O)[C@@]13CC[N@H+](C1)CCC3)C2	ZINC000992890975	873118321	/nfs/dbraw/zinc/11/83/21/873118321.db2.gz	WELBCLUUINQCRM-WMQCIHAUSA-N	1	0	355.482	1.193	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C)C1	ZINC000992904191	873125433	/nfs/dbraw/zinc/12/54/33/873125433.db2.gz	LIZQSRCCWVEKOE-DXIQSLLYSA-N	1	0	371.525	1.970	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C)C1	ZINC000992904788	873128978	/nfs/dbraw/zinc/12/89/78/873128978.db2.gz	ANZWKPTZNCLDAL-OPYAIIAOSA-N	1	0	357.498	1.580	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)CCc2ccn(C)n2)C[C@H]1C	ZINC001106190316	873247552	/nfs/dbraw/zinc/24/75/52/873247552.db2.gz	DVIGWWAJXBWFAK-TZMCWYRMSA-N	1	0	369.307	1.945	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccns2)C[C@H]1C	ZINC001106194239	873278948	/nfs/dbraw/zinc/27/89/48/873278948.db2.gz	DIHXMWHLYJPTFW-ZIAGYGMSSA-N	1	0	363.487	1.203	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1	ZINC000922177386	873454507	/nfs/dbraw/zinc/45/45/07/873454507.db2.gz	ORIDUYFSNCEDSA-GOSISDBHSA-N	1	0	372.444	1.323	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1)OCC	ZINC001106197295	873455485	/nfs/dbraw/zinc/45/54/85/873455485.db2.gz	PFRXITWPTUUBLS-BRWVUGGUSA-N	1	0	366.506	1.067	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)[C@@H](C)CC)C[C@@]3(C)C2)CC1	ZINC000993017415	873693289	/nfs/dbraw/zinc/69/32/89/873693289.db2.gz	DMRAAQDZJBBIBQ-CDXJDZJCSA-N	1	0	359.514	1.685	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)C(C)(C)C=C)C[C@@]3(C)C2)CC1	ZINC000993020298	873711581	/nfs/dbraw/zinc/71/15/81/873711581.db2.gz	NXQQHABDMDNCFL-PGRDOPGGSA-N	1	0	371.525	1.851	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](N(C)c3nccnc3C#N)C2)CC[N@@H+]1C	ZINC001061281037	873728619	/nfs/dbraw/zinc/72/86/19/873728619.db2.gz	MHTCXPRZQLGCEL-YQQAZPJKSA-N	1	0	356.474	1.506	20	30		FDEDRO
CCc1nc(C#N)cc(N(C)[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001061281437	873735107	/nfs/dbraw/zinc/73/51/07/873735107.db2.gz	YXUAPHAVAAKFRK-DJIMGWMZSA-N	1	0	370.501	1.678	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1	ZINC000195078331	873901163	/nfs/dbraw/zinc/90/11/63/873901163.db2.gz	SOALWRAUVAWJME-UHFFFAOYSA-N	1	0	372.469	1.653	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccccn2)C[C@H]1C	ZINC001106226087	873972719	/nfs/dbraw/zinc/97/27/19/873972719.db2.gz	QBCYXKJYHBZFAE-HZPDHXFCSA-N	1	0	369.469	1.972	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]C[C@H](O)COCC(C)C)[C@H](C)C2)CCC1	ZINC001106236480	874062634	/nfs/dbraw/zinc/06/26/34/874062634.db2.gz	QNQPZWVJKZQOPY-QRVBRYPASA-N	1	0	364.530	1.898	20	30		FDEDRO
C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(C#N)c2)CC1	ZINC001003744653	874150317	/nfs/dbraw/zinc/15/03/17/874150317.db2.gz	ZUXCEUXKWHMHAB-ZACQAIPSSA-N	1	0	355.442	1.090	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccn2CC=C)C[C@H]1C	ZINC001106255658	874169551	/nfs/dbraw/zinc/16/95/51/874169551.db2.gz	CSDMPIPMWHFIRZ-BRWVUGGUSA-N	1	0	356.470	1.110	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC2CC2)[C@H](C)C1	ZINC001106256041	874172518	/nfs/dbraw/zinc/17/25/18/874172518.db2.gz	VGWYJCYZJXWGHO-BZUAXINKSA-N	1	0	358.486	1.639	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc(CC)n2)C[C@H]1C	ZINC001106259362	874199891	/nfs/dbraw/zinc/19/98/91/874199891.db2.gz	HPZOYKUIDZIPNR-BZUAXINKSA-N	1	0	358.486	1.632	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@]2(CC(C)C)CCNC2=O)C[C@H]1C	ZINC001106278820	874378137	/nfs/dbraw/zinc/37/81/37/874378137.db2.gz	MAJXXOXCVBPNEA-DDUZABMNSA-N	1	0	355.910	1.975	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2c(C)ncn2C)C[C@H]1C	ZINC001106281873	874411046	/nfs/dbraw/zinc/41/10/46/874411046.db2.gz	IIVSLKDDOSTSLH-ZWNOBZJWSA-N	1	0	355.280	1.935	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)CN1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000495082233	874486550	/nfs/dbraw/zinc/48/65/50/874486550.db2.gz	ILUABTZNFLCFRJ-AZUAARDMSA-N	1	0	360.498	1.809	20	30		FDEDRO
N#CCOc1cccc(CC(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)c1	ZINC000761887463	874783745	/nfs/dbraw/zinc/78/37/45/874783745.db2.gz	ODTGZJZRZDIFKI-LJQANCHMSA-N	1	0	357.454	1.845	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccccc2)C[C@H]1C	ZINC001106328929	874795727	/nfs/dbraw/zinc/79/57/27/874795727.db2.gz	SGCZZWDVVZAKQL-IEBWSBKVSA-N	1	0	370.497	1.675	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C[NH2+][C@H](CC)C(N)=O)[C@H](C)C1	ZINC001106330952	874804109	/nfs/dbraw/zinc/80/41/09/874804109.db2.gz	JGIQQRYFYAPDGJ-BFYDXBDKSA-N	1	0	359.470	1.813	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2cccc(CC)c2)C[C@H]1C	ZINC001106333262	874819661	/nfs/dbraw/zinc/81/96/61/874819661.db2.gz	GWGWZLJXXUJGHM-VQIMIIECSA-N	1	0	357.498	1.778	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2cccc(CC)c2)C[C@H]1C	ZINC001106333472	874820387	/nfs/dbraw/zinc/82/03/87/874820387.db2.gz	IWRHDJSSJRAXNC-FUHIMQAGSA-N	1	0	369.509	1.614	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccc3nnc(C)n3c2)C[C@H]1C	ZINC001106352305	874875196	/nfs/dbraw/zinc/87/51/96/874875196.db2.gz	MSUQREYVZFHZFT-RHSMWYFYSA-N	1	0	357.458	1.538	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCc1ccc(C#N)cc1F)C2	ZINC000917055964	882873908	/nfs/dbraw/zinc/87/39/08/882873908.db2.gz	NBMXDHPUFCEENJ-XSYGEPLQSA-N	1	0	374.460	1.976	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CCOC[C@@H]2CCCO2)C[C@H]1C	ZINC001106363264	874915248	/nfs/dbraw/zinc/91/52/48/874915248.db2.gz	FPHJIQHUJUBIHQ-KURKYZTESA-N	1	0	354.491	1.459	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccccc2COC)C[C@H]1C	ZINC001106370477	874956362	/nfs/dbraw/zinc/95/63/62/874956362.db2.gz	QCEJCFDIDKQGRJ-SOLBZPMBSA-N	1	0	371.481	1.269	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2cccnc2)C[C@H]1C	ZINC001106384120	875001966	/nfs/dbraw/zinc/00/19/66/875001966.db2.gz	ZSPLPSBFMZJETD-SOLBZPMBSA-N	1	0	358.486	1.389	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(CNC(C)=O)cc2)C[C@H]1C	ZINC001106384620	875005294	/nfs/dbraw/zinc/00/52/94/875005294.db2.gz	OXQLSSIYDSACLG-OXQOHEQNSA-N	1	0	371.481	1.270	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cnc3c(c2)NC(=O)CO3)C[C@H]1C	ZINC001106382723	875014011	/nfs/dbraw/zinc/01/40/11/875014011.db2.gz	PNMUYFSZSGFUMG-UKRRQHHQSA-N	1	0	358.442	1.676	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C)ccc2OC)C[C@H]1C	ZINC001106391061	875054276	/nfs/dbraw/zinc/05/42/76/875054276.db2.gz	RHXGHBOLHKUHJQ-HZPDHXFCSA-N	1	0	359.470	1.604	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccn3ccccc23)C[C@H]1C	ZINC001106409599	875173552	/nfs/dbraw/zinc/17/35/52/875173552.db2.gz	ORASDPAJMZGDAQ-BRWVUGGUSA-N	1	0	366.465	1.375	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CN(C(=O)[C@H](CC)[NH+](C)C)C[C@]3(C)C2)cc1	ZINC000993160382	875174695	/nfs/dbraw/zinc/17/46/95/875174695.db2.gz	AZNUVUKCDMZZHN-DXIQSLLYSA-N	1	0	367.493	1.929	20	30		FDEDRO
CCOc1cc(C=NNC(N)=[NH2+])ccc1OCc1ccc(C(=O)OC)o1	ZINC000915051052	875353005	/nfs/dbraw/zinc/35/30/05/875353005.db2.gz	SELSYKAGIFIPKB-UHFFFAOYSA-N	1	0	360.370	1.861	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C	ZINC001106455192	875398590	/nfs/dbraw/zinc/39/85/90/875398590.db2.gz	FBDASOSMRKOGJV-YDZJUHGASA-N	1	0	353.894	1.286	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccoc2)C[C@H]1C	ZINC001106465851	875509816	/nfs/dbraw/zinc/50/98/16/875509816.db2.gz	SWCXRBGKDZDGCR-GDBMZVCRSA-N	1	0	356.426	1.617	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2COCCN2CC(F)F)C[C@H]1C	ZINC001106476472	875577830	/nfs/dbraw/zinc/57/78/30/875577830.db2.gz	HZLIFDDEFMMFJA-BZUAXINKSA-N	1	0	359.461	1.603	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COCCN2CC(F)F)C[C@H]1C	ZINC001106476763	875579254	/nfs/dbraw/zinc/57/92/54/875579254.db2.gz	WMCSITLIHDPKIH-BNOWGMLFSA-N	1	0	365.852	1.389	20	30		FDEDRO
CCO[C@@H](C(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1)C1CCCC1	ZINC001106486682	875624806	/nfs/dbraw/zinc/62/48/06/875624806.db2.gz	CXVKFYRLQCKPFR-BHIYHBOVSA-N	1	0	350.503	1.916	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]Cc2cnsn2)[C@H](C)C1	ZINC001106486397	875640929	/nfs/dbraw/zinc/64/09/29/875640929.db2.gz	REJXONIRNSJJJY-CKEIUWERSA-N	1	0	352.504	1.951	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cnn(C)c2-n2cccc2)C[C@H]1C	ZINC001106505085	875754940	/nfs/dbraw/zinc/75/49/40/875754940.db2.gz	DGBNFSIIIUYFBX-IAGOWNOFSA-N	1	0	371.485	1.711	20	30		FDEDRO
C[C@H](CC(N)=O)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)c(C#N)c2)[C@H](C)C1	ZINC001106522386	875828402	/nfs/dbraw/zinc/82/84/02/875828402.db2.gz	LKKHDILHNOZHIA-XJKCOSOUSA-N	1	0	360.433	1.393	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCO[C@@H]2c2nnc(C)[nH]2)CC1	ZINC000917091653	882970830	/nfs/dbraw/zinc/97/08/30/882970830.db2.gz	AEDXNGYEMARPBX-HOCLYGCPSA-N	1	0	362.478	1.530	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)[C@H]3C[C@H]4C[C@H]4C3)[C@H](C)C2)CC1	ZINC000994483379	882977374	/nfs/dbraw/zinc/97/73/74/882977374.db2.gz	OAKFINIPSNZFCZ-LFZDHENXSA-N	1	0	371.525	1.588	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCOC)[C@H](C)C1	ZINC001106563817	875962802	/nfs/dbraw/zinc/96/28/02/875962802.db2.gz	LDNZKXMWZXQGKH-BRWVUGGUSA-N	1	0	353.507	1.426	20	30		FDEDRO
Cc1c(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)ccn1C(C)C	ZINC001106567015	875975337	/nfs/dbraw/zinc/97/53/37/875975337.db2.gz	QNDPMWXDFMPLSX-GDBMZVCRSA-N	1	0	359.474	1.315	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@H]1C	ZINC001106580070	876024211	/nfs/dbraw/zinc/02/42/11/876024211.db2.gz	XHSOQEITXCQCMI-GPMSIDNRSA-N	1	0	369.481	1.224	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c(F)cc(F)cc2F)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106603552	876125174	/nfs/dbraw/zinc/12/51/74/876125174.db2.gz	GXGRUSDFWYAZKG-GHMZBOCLSA-N	1	0	368.359	1.041	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NCCCOCC)[C@H](C)C1	ZINC001106612562	876173631	/nfs/dbraw/zinc/17/36/31/876173631.db2.gz	CKDCFYURGMCPJC-FGTMMUONSA-N	1	0	367.534	1.958	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H](C[NH2+]C[C@H]3CCS(=O)(=O)C3)[C@H](C)C2)CC1	ZINC001106633715	876284613	/nfs/dbraw/zinc/28/46/13/876284613.db2.gz	SMFYTLNEHUBLJP-BRWVUGGUSA-N	1	0	368.543	1.852	20	30		FDEDRO
O=C(C=NOCC(=O)NC1CC[NH+](C2CC2)CC1)Nc1cccc(F)c1	ZINC000762672147	876360151	/nfs/dbraw/zinc/36/01/51/876360151.db2.gz	APGKNSJAOVXJRY-UHFFFAOYSA-N	1	0	362.405	1.510	20	30		FDEDRO
C=C(C)Cn1c(COC)nnc1N1CC[N@H+](CCOC)[C@@H](CCC)C1	ZINC000670197853	876404672	/nfs/dbraw/zinc/40/46/72/876404672.db2.gz	RCFGQTKXMFZRLN-INIZCTEOSA-N	1	0	351.495	1.938	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C(F)F)n[nH]2)C[C@H]1C	ZINC001106655403	876411543	/nfs/dbraw/zinc/41/15/43/876411543.db2.gz	NKLHEFVZKHXTGU-IJLUTSLNSA-N	1	0	369.416	1.336	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C[NH2+]CC#Cc1cccc(Cl)c1	ZINC001106668144	876496657	/nfs/dbraw/zinc/49/66/57/876496657.db2.gz	DYIKVRILQQKHFG-UWIFEVILSA-N	1	0	373.884	1.497	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)nn2CC)C[C@H]1C	ZINC001106693707	876576225	/nfs/dbraw/zinc/57/62/25/876576225.db2.gz	XPWFYZOBXOWLRN-FVQBIDKESA-N	1	0	361.490	1.200	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnn(CCC)c2)C[C@H]1C	ZINC001106715344	876938817	/nfs/dbraw/zinc/93/88/17/876938817.db2.gz	WDABAPIPICLWFQ-BZUAXINKSA-N	1	0	361.490	1.282	20	30		FDEDRO
C[C@@H]1CN(C(=O)COC2CCOCC2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106721234	876956022	/nfs/dbraw/zinc/95/60/22/876956022.db2.gz	YLVKXMQHKTZCAB-UYAOXDASSA-N	1	0	370.493	1.918	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@@](O)(/C=C/OCC)C(F)(F)F)CC1	ZINC000917137065	883109654	/nfs/dbraw/zinc/10/96/54/883109654.db2.gz	KIPCDRWQPUWMPZ-USYSOWRXSA-N	1	0	365.396	1.780	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccsc2Cl)C[C@H]1C	ZINC001106732997	877264025	/nfs/dbraw/zinc/26/40/25/877264025.db2.gz	DSMPKCWMDCIQSG-FRRDWIJNSA-N	1	0	367.902	1.837	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]CCCCCOC)[C@H](C)C1	ZINC001106733661	877273636	/nfs/dbraw/zinc/27/36/36/877273636.db2.gz	DHBAANPFPNMAKZ-BHIYHBOVSA-N	1	0	367.534	1.958	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]CCC3CCOCC3)[C@H](C)C2)nn1	ZINC001106743155	877437723	/nfs/dbraw/zinc/43/77/23/877437723.db2.gz	AGFCCIAYIGMYCD-NVXWUHKLSA-N	1	0	361.490	1.579	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCO[C@H]2C(=C)C)C[C@H]1C	ZINC001106748670	877465534	/nfs/dbraw/zinc/46/55/34/877465534.db2.gz	JMDJWFIKNYTCIK-VXNCWWDNSA-N	1	0	363.502	1.344	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1	ZINC001003911026	877525136	/nfs/dbraw/zinc/52/51/36/877525136.db2.gz	POQBQTIRGGMTDX-AKHDSKFASA-N	1	0	357.498	1.768	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)nn2)C[C@H]1C	ZINC001106758169	877590065	/nfs/dbraw/zinc/59/00/65/877590065.db2.gz	PSPYCYCGFVATLQ-HZPDHXFCSA-N	1	0	354.458	1.926	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)CC1	ZINC000922345812	877822677	/nfs/dbraw/zinc/82/26/77/877822677.db2.gz	PMBUZVCWJVUPHL-QFBILLFUSA-N	1	0	368.481	1.573	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3CN(C(=O)[C@H](C4CC4)[NH+](C)C)C[C@@]3(C)C2)C1	ZINC000993395576	877832885	/nfs/dbraw/zinc/83/28/85/877832885.db2.gz	KDAQVFUUWGANFK-WWMYMODYSA-N	1	0	359.514	1.990	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@]3(C)C2)c1	ZINC000993399819	877893922	/nfs/dbraw/zinc/89/39/22/877893922.db2.gz	CBPLVQNTBPXXNY-WAOWUJCRSA-N	1	0	368.481	1.324	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)C2CCCC2)C[C@H]1C(F)(F)F	ZINC001099270490	877955621	/nfs/dbraw/zinc/95/56/21/877955621.db2.gz	HQGULHKIQSKSCL-CHWSQXEVSA-N	1	0	368.421	1.509	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)C2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC[N@@H+]1C	ZINC001004104967	878040583	/nfs/dbraw/zinc/04/05/83/878040583.db2.gz	FOUJYHYUZOVMLT-LHUBUQBQSA-N	1	0	371.485	1.726	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2c(F)cccc2NC(N)=O)[C@@H](O)C1	ZINC001083821878	878107338	/nfs/dbraw/zinc/10/73/38/878107338.db2.gz	FLIHBGNXDVYNRX-KGLIPLIRSA-N	1	0	350.394	1.057	20	30		FDEDRO
COc1cccc(N2C[C@H]([NH2+]C[C@H](O)c3ccc(C#N)cc3)CC2=O)c1	ZINC000763242798	878305020	/nfs/dbraw/zinc/30/50/20/878305020.db2.gz	WRJJHGKESDBSOU-APWZRJJASA-N	1	0	351.406	1.995	20	30		FDEDRO
C#CCOc1ccccc1C[NH2+]Cc1cn(CC(F)(F)F)c(=O)[nH]c1=O	ZINC000922495750	878339513	/nfs/dbraw/zinc/33/95/13/878339513.db2.gz	AOQZKQOXGITTAC-UHFFFAOYSA-N	1	0	367.327	1.813	20	30		FDEDRO
C=C(C)CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@H]1OCC[C@H]1C)CC2	ZINC001128049140	912380479	/nfs/dbraw/zinc/38/04/79/912380479.db2.gz	SCFCFWFVIUPBBW-RKVPGOIHSA-N	1	0	361.490	1.580	20	30		FDEDRO
C=CCOc1ccc(C[NH2+]C[C@@]2(OC)CCS(=O)(=O)C2)cc1OC	ZINC000922615727	878790793	/nfs/dbraw/zinc/79/07/93/878790793.db2.gz	OFORLQJLNZQZSS-KRWDZBQOSA-N	1	0	355.456	1.553	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC[C@@H]3C2)c1	ZINC000946589027	878860834	/nfs/dbraw/zinc/86/08/34/878860834.db2.gz	AXHUKBSXQRLWRY-FCGDIQPGSA-N	1	0	368.437	1.894	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1C[C@@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O	ZINC000922719482	879093714	/nfs/dbraw/zinc/09/37/14/879093714.db2.gz	HQWDBTOGLOTDCL-AKOCFDCFSA-N	1	0	351.491	1.499	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(C#N)c[nH]2)C1	ZINC001004354942	879184066	/nfs/dbraw/zinc/18/40/66/879184066.db2.gz	LVUPWAHKNUPPJL-MMTVNHQJSA-N	1	0	355.442	1.090	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1	ZINC000332797827	879647365	/nfs/dbraw/zinc/64/73/65/879647365.db2.gz	SUMKAALKGPTQJW-RDTXWAMCSA-N	1	0	370.453	1.137	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)[C@H](C)C1	ZINC000993873099	879928891	/nfs/dbraw/zinc/92/88/91/879928891.db2.gz	QVHHBXJCDYGDGD-QGPMSJSTSA-N	1	0	371.485	1.583	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3CC)C[C@@H]2O)nn1	ZINC001083843537	879960358	/nfs/dbraw/zinc/96/03/58/879960358.db2.gz	MFDMEJMZNYUUBF-AEFFLSMTSA-N	1	0	355.442	1.002	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)[C@H](C)C1	ZINC000993907538	880111649	/nfs/dbraw/zinc/11/16/49/880111649.db2.gz	GDZIPYVTIUBOGS-RKVPGOIHSA-N	1	0	371.485	1.583	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC000993918514	880148814	/nfs/dbraw/zinc/14/88/14/880148814.db2.gz	MQKYCQZKIXRJQN-RHSMWYFYSA-N	1	0	371.485	1.443	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC000993920551	880155874	/nfs/dbraw/zinc/15/58/74/880155874.db2.gz	KAJZEEVPMYUVGB-FRFSOERESA-N	1	0	357.458	1.195	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCN(CC(F)(F)F)C3)[C@H]2C1	ZINC001083176399	912540850	/nfs/dbraw/zinc/54/08/50/912540850.db2.gz	QMWHXSFKZXLRJJ-SOUVJXGZSA-N	1	0	361.408	1.358	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC000994050343	880546128	/nfs/dbraw/zinc/54/61/28/880546128.db2.gz	FKJOPYZNKYPUPM-UNEWFSDZSA-N	1	0	369.469	1.052	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc3c([nH]2)CCCC3)C[C@H]1C	ZINC001106843371	880828923	/nfs/dbraw/zinc/82/89/23/880828923.db2.gz	BJYNAWGWFWYKJD-BFYDXBDKSA-N	1	0	370.497	1.329	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)[C@@H]3CC34CCC4)C[C@H]2C)CC1	ZINC000994138284	880901628	/nfs/dbraw/zinc/90/16/28/880901628.db2.gz	AZSOZRNXRLVTJB-QRQLOZEOSA-N	1	0	371.525	1.733	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1	ZINC000265712635	912634846	/nfs/dbraw/zinc/63/48/46/912634846.db2.gz	CWZYZRRPNZJPDT-OALUTQOASA-N	1	0	371.485	1.127	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC(=O)NCC2CC2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106855912	881116857	/nfs/dbraw/zinc/11/68/57/881116857.db2.gz	XDCMOFCKEHKUIP-YLJYHZDGSA-N	1	0	367.493	1.639	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CCCC[N@H+]2C)nc1	ZINC001004741803	881186412	/nfs/dbraw/zinc/18/64/12/881186412.db2.gz	GGYKFRLQHXOAHY-YSHGAJCASA-N	1	0	366.465	1.409	20	30		FDEDRO
CCOc1cccc(C=NNC(=S)NCCCN2CCOCC2)c1	ZINC000915942866	881255317	/nfs/dbraw/zinc/25/53/17/881255317.db2.gz	SHTJAYZSFPTPDZ-UHFFFAOYSA-N	1	0	350.488	1.606	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](CCN2CCCC2=O)C1	ZINC001033837181	883192809	/nfs/dbraw/zinc/19/28/09/883192809.db2.gz	LQOXXICOAAZTLK-KSZLIROESA-N	1	0	363.502	1.513	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1	ZINC000917233319	883251483	/nfs/dbraw/zinc/25/14/83/883251483.db2.gz	DGLLKXSTBKAEAT-MRXNPFEDSA-N	1	0	362.449	1.151	20	30		FDEDRO
CCN(C(=O)[C@H]1OCCO[C@H]1C)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1	ZINC001033861858	883288098	/nfs/dbraw/zinc/28/80/98/883288098.db2.gz	QPTMSJNLXRMJGX-IPELMVKDSA-N	1	0	357.454	1.785	20	30		FDEDRO
CCc1ccoc1C(=O)N[C@@H]1CN(Cc2ccc(OC)c(C#N)c2)C[C@@H]1O	ZINC001083756047	883291486	/nfs/dbraw/zinc/29/14/86/883291486.db2.gz	ZUSLWCVVCFEWOE-SJORKVTESA-N	1	0	369.421	1.697	20	30		FDEDRO
C=CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC001033874777	883308293	/nfs/dbraw/zinc/30/82/93/883308293.db2.gz	IAEZORNNPUTLCK-MJBXVCDLSA-N	1	0	350.381	1.832	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCCN2C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC001005443282	883401830	/nfs/dbraw/zinc/40/18/30/883401830.db2.gz	UEVLMVKISDVPPZ-DJIMGWMZSA-N	1	0	371.485	1.728	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC000999405523	912715444	/nfs/dbraw/zinc/71/54/44/912715444.db2.gz	GTNLATAOWQJAGO-XCRHUMRWSA-N	1	0	361.417	1.582	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1	ZINC000917527499	883522664	/nfs/dbraw/zinc/52/26/64/883522664.db2.gz	KBIKCFCVHQXFKB-UHFFFAOYSA-N	1	0	371.890	1.725	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCCCOC)C[C@@H]1n1ccnn1	ZINC001128784332	883600118	/nfs/dbraw/zinc/60/01/18/883600118.db2.gz	BYGPURDLWUFXJW-ZACQAIPSSA-N	1	0	365.478	1.027	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1n1ccnn1	ZINC001128816215	883730504	/nfs/dbraw/zinc/73/05/04/883730504.db2.gz	DMOVLGWYFCFRGS-FGTMMUONSA-N	1	0	361.490	1.527	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[N@@H+](CCc2scnc2C)C[C@@H]1n1ccnn1	ZINC001128817023	883735426	/nfs/dbraw/zinc/73/54/26/883735426.db2.gz	VQVLRXBOPYXXPR-CABCVRRESA-N	1	0	360.487	1.593	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCC(=O)N(C)C)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106889498	883745460	/nfs/dbraw/zinc/74/54/60/883745460.db2.gz	POAWLUAHWFDDAZ-UYAOXDASSA-N	1	0	369.509	1.981	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN2C)[C@@H](n2ccnn2)C1	ZINC001128830429	883756049	/nfs/dbraw/zinc/75/60/49/883756049.db2.gz	SIPACPVYRBRPOU-KURKYZTESA-N	1	0	362.522	1.684	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ncoc2CC)[C@@H](n2ccnn2)C1	ZINC001128869107	883873201	/nfs/dbraw/zinc/87/32/01/883873201.db2.gz	DBUCXPHHDYJVRP-KFWWJZLASA-N	1	0	358.446	1.839	20	30		FDEDRO
CC(C)C[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](n2ccnn2)C1	ZINC001128877771	883914682	/nfs/dbraw/zinc/91/46/82/883914682.db2.gz	HPGUDMABBRSNAL-OLMNPRSZSA-N	1	0	369.473	1.815	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2cc(C)ncn2)[C@@H](n2ccnn2)C1	ZINC001128891839	883970106	/nfs/dbraw/zinc/97/01/06/883970106.db2.gz	RTLDQAPIEYHHFD-MSOLQXFVSA-N	1	0	369.473	1.778	20	30		FDEDRO
CCC/C=C/CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](n2ccnn2)C1	ZINC001128903431	884022452	/nfs/dbraw/zinc/02/24/52/884022452.db2.gz	PWGHQWZJNIZEEH-ZLKFPQNLSA-N	1	0	367.457	1.880	20	30		FDEDRO
C#CCOCCC(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001078962695	884036280	/nfs/dbraw/zinc/03/62/80/884036280.db2.gz	VYKVZMXXEBTRCX-KZNAEPCWSA-N	1	0	363.502	1.206	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001128929562	884148457	/nfs/dbraw/zinc/14/84/57/884148457.db2.gz	KSMSCSREXATYAS-WSTZPKSXSA-N	1	0	369.469	1.189	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@@H]1n1ccnn1	ZINC001128938930	884152245	/nfs/dbraw/zinc/15/22/45/884152245.db2.gz	DHRFPKPVKPYFLZ-KSZLIROESA-N	1	0	359.474	1.382	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]CCOC2CCC2)[C@H](C)C1	ZINC001106890924	884177369	/nfs/dbraw/zinc/17/73/69/884177369.db2.gz	NSJUJSYUPZORMA-IAGOWNOFSA-N	1	0	371.481	1.960	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)C[C@@H]1n1ccnn1	ZINC001128939648	884186651	/nfs/dbraw/zinc/18/66/51/884186651.db2.gz	VZTBPMYHNRJJCB-XHSDSOJGSA-N	1	0	365.428	1.859	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)[N@@H+]1CCC[C@@H](C)C1	ZINC000245581577	884190459	/nfs/dbraw/zinc/19/04/59/884190459.db2.gz	HMXHFFTXZFQJLQ-ZIAGYGMSSA-N	1	0	374.489	1.685	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)C[NH+](CC)CC)CC1	ZINC001078966700	884307517	/nfs/dbraw/zinc/30/75/17/884307517.db2.gz	VIPZANCCITVVNT-KSZLIROESA-N	1	0	365.518	1.759	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)c2ccc(C)cc2)C[C@H]1C	ZINC001106891188	884329198	/nfs/dbraw/zinc/32/91/98/884329198.db2.gz	ZRNOQZMKUFCJAR-ZIFCJYIRSA-N	1	0	355.482	1.532	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CCc2cnn(C)c2)C1	ZINC001034440819	884378166	/nfs/dbraw/zinc/37/81/66/884378166.db2.gz	YWXKWXVGJPHZNB-FHWLQOOXSA-N	1	0	360.502	1.915	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001128958149	884453060	/nfs/dbraw/zinc/45/30/60/884453060.db2.gz	SGQLIMSNYWJYBN-MOPGFXCFSA-N	1	0	351.454	1.932	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001128961855	884487213	/nfs/dbraw/zinc/48/72/13/884487213.db2.gz	JRXCJKIQJGCNMR-HBFSDRIKSA-N	1	0	369.469	1.455	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CCC2CCN(C(=O)[C@H]3CC[C@@H](C)O3)CC2)C1=O	ZINC001034574503	884526917	/nfs/dbraw/zinc/52/69/17/884526917.db2.gz	ZEKDWFVBNNAJPC-BPQIPLTHSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(Br)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1	ZINC000999499020	912844667	/nfs/dbraw/zinc/84/46/67/912844667.db2.gz	YNDZQYAXSSLJOT-HZSPNIEDSA-N	1	0	360.296	1.195	20	30		FDEDRO
C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1	ZINC001005584011	884695264	/nfs/dbraw/zinc/69/52/64/884695264.db2.gz	PMTVQUWSYRGIHM-KGLIPLIRSA-N	1	0	350.381	1.832	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CC)C[C@@H]2n2ccnn2)cc1	ZINC001128985177	884717654	/nfs/dbraw/zinc/71/76/54/884717654.db2.gz	ITKQNVMWJBFOSX-MSOLQXFVSA-N	1	0	353.426	1.355	20	30		FDEDRO
CC#CCN1C[C@@H](NC(=O)C[C@@H](OCC)C2=CCCC2)[C@@H](n2ccnn2)C1	ZINC001128985638	884741392	/nfs/dbraw/zinc/74/13/92/884741392.db2.gz	QWYZPUAFKJKVMP-CEXWTWQISA-N	1	0	371.485	1.548	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000245990703	884764624	/nfs/dbraw/zinc/76/46/24/884764624.db2.gz	HWHXJPDNKHMOPY-KBPBESRZSA-N	1	0	374.489	1.685	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCO[C@H]3C=C)CC2)C1=O	ZINC001034741004	884937040	/nfs/dbraw/zinc/93/70/40/884937040.db2.gz	QWQAGGBCEBIJNG-DZVNLGKHSA-N	1	0	361.486	1.381	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)c2ccc(C)cc2)[C@H](C)C1	ZINC000994592959	884962953	/nfs/dbraw/zinc/96/29/53/884962953.db2.gz	KZPQAYLNZKPUBU-RLLQIKCJSA-N	1	0	367.493	1.917	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2ccn(CC)n2)[C@@H](n2ccnn2)C1	ZINC001129004555	884997267	/nfs/dbraw/zinc/99/72/67/884997267.db2.gz	TVBUTMYVVYKPRX-JQHSSLGASA-N	1	0	371.489	1.433	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H](C)Cn2ccc(C)n2)[C@@H](n2ccnn2)C1	ZINC001129009465	885066674	/nfs/dbraw/zinc/06/66/74/885066674.db2.gz	BFVBPLOZVMUFHO-NXHRZFHOSA-N	1	0	371.489	1.427	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2snnc2C)C1	ZINC000999539729	912910450	/nfs/dbraw/zinc/91/04/50/912910450.db2.gz	OWQNUJZXZNPCAZ-UJJWPFCGSA-N	1	0	350.488	1.907	20	30		FDEDRO
C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1	ZINC000999539629	912910580	/nfs/dbraw/zinc/91/05/80/912910580.db2.gz	OCAOJLORZDDINC-PRLABOORSA-N	1	0	352.866	1.620	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ccn(C)c(=O)c2)C1	ZINC000999540371	912910739	/nfs/dbraw/zinc/91/07/39/912910739.db2.gz	VFROMLAOXAVLDV-AKSNENBUSA-N	1	0	359.470	1.446	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1n1ccnn1	ZINC001129020087	885250600	/nfs/dbraw/zinc/25/06/00/885250600.db2.gz	IFLDKLYXKVJRCD-ZACQAIPSSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)C2C=CC=CC=C2)[C@@H](n2ccnn2)C1	ZINC001129020207	885252558	/nfs/dbraw/zinc/25/25/58/885252558.db2.gz	OVHFSHWMAGRAPQ-MSOLQXFVSA-N	1	0	355.442	1.121	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cn(C)nc2C2CC2)[C@@H](n2ccnn2)C1	ZINC001129025872	885288127	/nfs/dbraw/zinc/28/81/27/885288127.db2.gz	SYXLHVLJIUMDHE-SJORKVTESA-N	1	0	369.473	1.511	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCCc3ccc(C)cc3)C[C@@H]2O)cn1	ZINC001083970499	912922030	/nfs/dbraw/zinc/92/20/30/912922030.db2.gz	YZSDYXFMDPPFAR-RTWAWAEBSA-N	1	0	363.461	1.779	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[C@H](OCC)C(=C)C)[C@@H](n2ccnn2)C1	ZINC001129029694	885339777	/nfs/dbraw/zinc/33/97/77/885339777.db2.gz	KALGAMWTINCSDO-SQNIBIBYSA-N	1	0	361.490	1.957	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)CC1	ZINC001005765943	885565850	/nfs/dbraw/zinc/56/58/50/885565850.db2.gz	GNOXWPACLIJLQD-QRVBRYPASA-N	1	0	357.498	1.768	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)c2ccncc2)[C@@H](n2ccnn2)C1	ZINC001129065219	885628731	/nfs/dbraw/zinc/62/87/31/885628731.db2.gz	RLPNKJMYOWDBRR-JQHSSLGASA-N	1	0	352.442	1.232	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)CC(C)(C)C1	ZINC001089492360	885656677	/nfs/dbraw/zinc/65/66/77/885656677.db2.gz	HQUZCSXTYVGFQV-BBWFWOEESA-N	1	0	363.502	1.463	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2ncc(F)cc2F)[C@@H](n2ccnn2)C1	ZINC001129079140	885686796	/nfs/dbraw/zinc/68/67/96/885686796.db2.gz	GKGFEHRLUUSICZ-CABCVRRESA-N	1	0	362.384	1.573	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)Cc2ccc(F)cn2)[C@@H](n2ccnn2)C1	ZINC001129079255	885687176	/nfs/dbraw/zinc/68/71/76/885687176.db2.gz	HCVBHTUQRGXSKR-SJORKVTESA-N	1	0	358.421	1.363	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2c(C)cncc2C)[C@@H](n2ccnn2)C1	ZINC001129104049	885703764	/nfs/dbraw/zinc/70/37/64/885703764.db2.gz	ZNFJTGWFHOCRSW-SJORKVTESA-N	1	0	354.458	1.911	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cnn(CCF)c2)[C@@H](n2ccnn2)C1	ZINC001129084593	885710043	/nfs/dbraw/zinc/71/00/43/885710043.db2.gz	ORJXZMOMCFHXSH-CVEARBPZSA-N	1	0	361.425	1.066	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2ccon2)[C@@H](n2ccnn2)C1	ZINC001129112690	885754674	/nfs/dbraw/zinc/75/46/74/885754674.db2.gz	IYZYZDHQOPSXKT-UAGQMJEPSA-N	1	0	358.446	1.595	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC(C)(C)C)[C@H](C)C2)nc1	ZINC001106894668	885767219	/nfs/dbraw/zinc/76/72/19/885767219.db2.gz	RSXCFVKWYKCDBZ-NVXWUHKLSA-N	1	0	370.497	1.523	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)NC(C)(C)C)[C@H](C)C2)nc1	ZINC001106894815	885777685	/nfs/dbraw/zinc/77/76/85/885777685.db2.gz	WBWMHTCQLXLCMP-BFYDXBDKSA-N	1	0	370.497	1.664	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC[N@@H+]([C@H](CC)C(N)=O)C2)CC1	ZINC001035237713	885801230	/nfs/dbraw/zinc/80/12/30/885801230.db2.gz	RRHSDNVDPXFNQX-BBWFWOEESA-N	1	0	363.502	1.546	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCOCC(F)(F)F)[C@H](C)C2)cn1	ZINC001106895446	885904957	/nfs/dbraw/zinc/90/49/57/885904957.db2.gz	OPIFFPGZBNSGHM-UKRRQHHQSA-N	1	0	369.387	1.940	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1	ZINC000670606126	886039871	/nfs/dbraw/zinc/03/98/71/886039871.db2.gz	UQUNKDRWZMVUNF-KRWDZBQOSA-N	1	0	359.470	1.983	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1n1ccnn1	ZINC001129184409	886079096	/nfs/dbraw/zinc/07/90/96/886079096.db2.gz	FBFDVPMYKVAXFV-JQHSSLGASA-N	1	0	371.489	1.198	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2)C[C@H]1C	ZINC001106896587	886104652	/nfs/dbraw/zinc/10/46/52/886104652.db2.gz	NATGPBARHRPZID-OQIJWPOYSA-N	1	0	353.466	1.224	20	30		FDEDRO
C=CCCN1CCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1	ZINC001035516319	886107936	/nfs/dbraw/zinc/10/79/36/886107936.db2.gz	CZDBXTOVMHOJJW-AQNXPRMDSA-N	1	0	357.498	1.725	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1n1ccnn1	ZINC001129188990	886117535	/nfs/dbraw/zinc/11/75/35/886117535.db2.gz	GAIIIHGLJUHWFB-JQHSSLGASA-N	1	0	361.490	1.649	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1n1ccnn1	ZINC001129189604	886157441	/nfs/dbraw/zinc/15/74/41/886157441.db2.gz	SNMZWZXKBAAANV-JQHSSLGASA-N	1	0	371.489	1.198	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](c2ccncc2)C(C)C)[C@@H](n2ccnn2)C1	ZINC001129200520	886281230	/nfs/dbraw/zinc/28/12/30/886281230.db2.gz	ZCBHHEHPIICYFZ-CEXWTWQISA-N	1	0	366.469	1.478	20	30		FDEDRO
CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000499115926	886412121	/nfs/dbraw/zinc/41/21/21/886412121.db2.gz	KXZCEFRJTVCDOM-OAHLLOKOSA-N	1	0	371.445	1.353	20	30		FDEDRO
CO[C@@H]1CN(Cc2cccc3nsnc32)C[C@H]1NC(=O)C#CC1CC1	ZINC001212246290	886517661	/nfs/dbraw/zinc/51/76/61/886517661.db2.gz	QBFXPIILLJOJRH-HZPDHXFCSA-N	1	0	356.451	1.420	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc3nonc3c2)[C@@H](n2ccnn2)C1	ZINC001129220557	886617214	/nfs/dbraw/zinc/61/72/14/886617214.db2.gz	ZLRAIPOUXXUVFJ-SJORKVTESA-N	1	0	367.413	1.436	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)CC1	ZINC000920117894	886647007	/nfs/dbraw/zinc/64/70/07/886647007.db2.gz	LKVYHYYSBWIWMF-INIZCTEOSA-N	1	0	364.490	1.687	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1n1ccnn1	ZINC001129238917	886748508	/nfs/dbraw/zinc/74/85/08/886748508.db2.gz	LFDAGTLNVOBKDG-AOIWGVFYSA-N	1	0	371.489	1.198	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)CC1(CC#N)CC1)C2	ZINC000920273579	886797110	/nfs/dbraw/zinc/79/71/10/886797110.db2.gz	INYZPIMXVFMDCE-ANQUJSFKSA-N	1	0	355.504	1.079	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCN2C(=O)CSCC#N)CC[N@@H+]1C	ZINC001062018925	886920291	/nfs/dbraw/zinc/92/02/91/886920291.db2.gz	IRIKATSWLWRGOM-RBSFLKMASA-N	1	0	352.504	1.081	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1	ZINC000920423655	886924336	/nfs/dbraw/zinc/92/43/36/886924336.db2.gz	WLMYNNWOQALIEH-HUUCEWRRSA-N	1	0	352.479	1.984	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CN(C)c3ncccc3C#N)C2)CC[N@@H+]1C	ZINC001062184775	886952195	/nfs/dbraw/zinc/95/21/95/886952195.db2.gz	ACPMWAWOMPWVSD-BPQIPLTHSA-N	1	0	355.486	1.968	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2Cc3ccncc3C2)[C@@H](n2ccnn2)C1	ZINC001129262860	886986862	/nfs/dbraw/zinc/98/68/62/886986862.db2.gz	UZQSBWRXZZMWOM-QRQLOZEOSA-N	1	0	366.469	1.396	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1	ZINC000373256396	887135469	/nfs/dbraw/zinc/13/54/69/887135469.db2.gz	AWCOKABXIJHYIE-UHFFFAOYSA-N	1	0	361.490	2.293	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(C)ccc2C#N)CC[N@@H+]1C	ZINC001062600803	887144767	/nfs/dbraw/zinc/14/47/67/887144767.db2.gz	GCYZWUCTMGKBMY-XLAORIBOSA-N	1	0	353.470	1.782	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C#N)c(C)n2)CC[N@@H+]1C	ZINC001062601324	887145248	/nfs/dbraw/zinc/14/52/48/887145248.db2.gz	USAABRXJTODIBU-XLAORIBOSA-N	1	0	353.470	1.782	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)CC1	ZINC000922900925	887162491	/nfs/dbraw/zinc/16/24/91/887162491.db2.gz	URBXUGPGGVGGST-QGZVFWFLSA-N	1	0	358.417	1.328	20	30		FDEDRO
C#CCN(C(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C(C)C	ZINC000922911944	887206446	/nfs/dbraw/zinc/20/64/46/887206446.db2.gz	RWJFMYWYRWDWBL-UHFFFAOYSA-N	1	0	370.497	1.937	20	30		FDEDRO
C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)NCC[NH2+]Cc1ccccc1C#N	ZINC001127548161	887294802	/nfs/dbraw/zinc/29/48/02/887294802.db2.gz	XMHHPPIYFUCZLP-VQIMIIECSA-N	1	0	363.465	1.932	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc3c(c2)nnn3C)C1	ZINC001031679797	887339661	/nfs/dbraw/zinc/33/96/61/887339661.db2.gz	JRWKWVMPVSLQEQ-APWZRJJASA-N	1	0	369.469	1.498	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1)C1CC[NH+](C)CC1	ZINC000921493626	888038748	/nfs/dbraw/zinc/03/87/48/888038748.db2.gz	SHWVKQYBLOIRPN-OALUTQOASA-N	1	0	362.518	1.369	20	30		FDEDRO
COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C)CC1	ZINC000282142419	888063029	/nfs/dbraw/zinc/06/30/29/888063029.db2.gz	GGRFZGFNUYUTTK-UHFFFAOYSA-N	1	0	356.430	1.034	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(Cc3cc(-c4cnn(C)c4)no3)C[C@@H]2O)C1	ZINC001083763156	888133128	/nfs/dbraw/zinc/13/31/28/888133128.db2.gz	YZFBYMHXHMEKJB-SJORKVTESA-N	1	0	371.441	1.093	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](OC)c2ccccc2)C[C@H]1OC	ZINC001212262326	888157839	/nfs/dbraw/zinc/15/78/39/888157839.db2.gz	LKCSZCAAYPIQJA-GUDVDZBRSA-N	1	0	360.454	1.229	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC3(CC3)C1)C2	ZINC001005997349	888600377	/nfs/dbraw/zinc/60/03/77/888600377.db2.gz	SSAZNNXVFDNJJZ-BDXSIMOUSA-N	1	0	355.482	1.522	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)cc1	ZINC000994826597	888672242	/nfs/dbraw/zinc/67/22/42/888672242.db2.gz	RCKRFIBCZFXXSO-IAGOWNOFSA-N	1	0	366.421	1.719	20	30		FDEDRO
C=CCOCCCNC(=O)N[C@@H]1C[C@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O	ZINC000923278162	888723514	/nfs/dbraw/zinc/72/35/14/888723514.db2.gz	PRLAUFGEPGAHNA-VXIBKDFQSA-N	1	0	353.507	1.748	20	30		FDEDRO
COc1cccc(C(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@@H]2O)c1F	ZINC001083882053	888729650	/nfs/dbraw/zinc/72/96/50/888729650.db2.gz	IDWURPONUBBWAB-SJORKVTESA-N	1	0	369.396	1.681	20	30		FDEDRO
C#CCN(C(=O)NC[C@@H]1CCO[C@H]1c1nccn1C)C1CC[NH+](C)CC1	ZINC000923318470	888866562	/nfs/dbraw/zinc/86/65/62/888866562.db2.gz	ZYFZYSVLZCCRPL-DOTOQJQBSA-N	1	0	359.474	1.237	20	30		FDEDRO
COc1ccccc1[C@H]1C[NH2+]CCN1C[C@H](O)COc1ccccc1C#N	ZINC000923349689	888954381	/nfs/dbraw/zinc/95/43/81/888954381.db2.gz	VULGMFBIHGGJDQ-PKOBYXMFSA-N	1	0	367.449	1.953	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cn(CCOC)nc2C)[C@H](OC)C1	ZINC001212272563	888957515	/nfs/dbraw/zinc/95/75/15/888957515.db2.gz	VFWWZKBFZARZBS-BMGDILEWSA-N	1	0	364.490	1.622	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](N(C)C(=O)[C@@H]3C[C@H]3CCC)C2)CC1	ZINC000938669543	889072849	/nfs/dbraw/zinc/07/28/49/889072849.db2.gz	MZMRPSUMOVEZIH-CEXWTWQISA-N	1	0	359.514	1.827	20	30		FDEDRO
C#CCN(C(=O)NC[C@H](n1cccn1)C(F)(F)F)C1CC[NH+](C)CC1	ZINC000923395526	889116753	/nfs/dbraw/zinc/11/67/53/889116753.db2.gz	NLWWJXLSINCIRG-AWEZNQCLSA-N	1	0	357.380	1.726	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CN([C@H]3CCc4c3cccc4F)C[C@@H]2O)c1	ZINC001083765850	889189815	/nfs/dbraw/zinc/18/98/15/889189815.db2.gz	YDAXYYDIZIPYOK-AABGKKOBSA-N	1	0	365.408	1.664	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)CN2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c(OC)c1	ZINC000923430606	889227900	/nfs/dbraw/zinc/22/79/00/889227900.db2.gz	IDLDQXNCTSVVSC-RBSFLKMASA-N	1	0	374.403	1.985	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)C1	ZINC000923553252	889758807	/nfs/dbraw/zinc/75/88/07/889758807.db2.gz	JDJPMTMBLQYBPO-MRXNPFEDSA-N	1	0	369.469	1.131	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc3ccccc3n2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106912188	889854225	/nfs/dbraw/zinc/85/42/25/889854225.db2.gz	NJCPYLLIRRWWEC-GDBMZVCRSA-N	1	0	365.437	1.172	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCOC(C)C)C[C@H]1OC	ZINC001212295412	889936823	/nfs/dbraw/zinc/93/68/23/889936823.db2.gz	MYMSNTRFPABXOH-ZJPYXAASSA-N	1	0	354.491	1.598	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1CN(C(=O)CCc2c[nH]cn2)C1	ZINC001006164700	889945640	/nfs/dbraw/zinc/94/56/40/889945640.db2.gz	HTFRHSTZBYVVRD-SKDZVZGDSA-N	1	0	360.458	1.287	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)C2(C(F)(F)F)CC2)[C@@H](n2ccnn2)C1	ZINC001129284052	890031865	/nfs/dbraw/zinc/03/18/65/890031865.db2.gz	HLMQETNKRIWZHX-OLZOCXBDSA-N	1	0	357.380	1.928	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)[C@H](OC)C1	ZINC001212309564	890031717	/nfs/dbraw/zinc/03/17/17/890031717.db2.gz	WVTDLMWELCJWNL-IXDOHACOSA-N	1	0	365.518	1.805	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(NC(=O)[C@H](CC)[NH+](C)C)CCC1	ZINC001063205290	890295382	/nfs/dbraw/zinc/29/53/82/890295382.db2.gz	IDAPOPGIKLCMPX-JYJNAYRXSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(NC(=O)C23CC[NH+](CC2)C3)CCC1	ZINC001063205708	890298139	/nfs/dbraw/zinc/29/81/39/890298139.db2.gz	PZYUVPOQGIFGER-HOTGVXAUSA-N	1	0	361.486	1.219	20	30		FDEDRO
C=C(C)[C@H](CC(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1)OCC	ZINC001063223504	890330532	/nfs/dbraw/zinc/33/05/32/890330532.db2.gz	LJEJXGDWGVMWPD-ZACQAIPSSA-N	1	0	365.518	1.853	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000939329602	890460143	/nfs/dbraw/zinc/46/01/43/890460143.db2.gz	GLVVGOJWESJHSX-RPCCPQHDSA-N	1	0	357.458	1.193	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)CC[NH+](C)C)CC1	ZINC001079068500	890491743	/nfs/dbraw/zinc/49/17/43/890491743.db2.gz	LVJAVZWGAILBKM-ZACQAIPSSA-N	1	0	351.491	1.369	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCC1	ZINC001063376016	890495098	/nfs/dbraw/zinc/49/50/98/890495098.db2.gz	NJNJPQMUAVLWDG-PMPSAXMXSA-N	1	0	351.491	1.319	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)c2ccnn2[C@H](C)CC)[C@H](OC)C1	ZINC001212342589	890622232	/nfs/dbraw/zinc/62/22/32/890622232.db2.gz	HLTSRHGKLFDZLC-BFYDXBDKSA-N	1	0	350.463	1.486	20	30		FDEDRO
N#Cc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)cc1F	ZINC001001839209	891405047	/nfs/dbraw/zinc/40/50/47/891405047.db2.gz	FYRUZWMFLZYJTO-CVEARBPZSA-N	1	0	358.417	1.147	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+]([C@@H]2CCN(C(C)C)C2=O)CC1	ZINC001001852780	891456862	/nfs/dbraw/zinc/45/68/62/891456862.db2.gz	WZXNGXIXRKYPBT-KURKYZTESA-N	1	0	363.502	1.415	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C#N)c[nH]1)C2	ZINC001001889762	891568513	/nfs/dbraw/zinc/56/85/13/891568513.db2.gz	MMOPICXXVVOIFY-CRNXPOROSA-N	1	0	355.442	1.232	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@H]2C)c1	ZINC000940012948	891636047	/nfs/dbraw/zinc/63/60/47/891636047.db2.gz	ZOMWHQZDQPSDLH-ATZDWAIDSA-N	1	0	368.481	1.514	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCn3nccc31)C2	ZINC001112434533	891921810	/nfs/dbraw/zinc/92/18/10/891921810.db2.gz	BFPAVKROAGPHSD-UEXGIBASSA-N	1	0	370.497	1.629	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2sccc2-n2ccnn2)[C@H](OC)C1	ZINC001212444430	891935296	/nfs/dbraw/zinc/93/52/96/891935296.db2.gz	YSGIZNCFDVAGSC-UKRRQHHQSA-N	1	0	361.471	1.724	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)c1	ZINC000940288716	892165800	/nfs/dbraw/zinc/16/58/00/892165800.db2.gz	YOEZZEIWTJGBNI-IIDMSEBBSA-N	1	0	354.454	1.124	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc3[nH]ccc3s2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106923106	892607539	/nfs/dbraw/zinc/60/75/39/892607539.db2.gz	CXGHZQKVZYOELG-VXGBXAGGSA-N	1	0	359.455	1.167	20	30		FDEDRO
COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)c1	ZINC000182405464	892731355	/nfs/dbraw/zinc/73/13/55/892731355.db2.gz	VJXDLGBMUPTYMK-MAUKXSAKSA-N	1	0	374.485	1.744	20	30		FDEDRO
N#Cc1ccc(F)c(CS(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)c1	ZINC000921907222	892738887	/nfs/dbraw/zinc/73/88/87/892738887.db2.gz	DVFNUVJKZGNITJ-MRXNPFEDSA-N	1	0	367.446	1.370	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1	ZINC001002460071	892956467	/nfs/dbraw/zinc/95/64/67/892956467.db2.gz	CURXJOKEBKFPSJ-BZSNNMDCSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cc3c(cn2)nc[nH]c3=O)C[C@H]1C	ZINC001106929923	893012346	/nfs/dbraw/zinc/01/23/46/893012346.db2.gz	VBBHMOHOZAYFNT-ZYHUDNBSSA-N	1	0	361.833	1.781	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2OCc3ccccc32)C[C@H]1C	ZINC001106930794	893021336	/nfs/dbraw/zinc/02/13/36/893021336.db2.gz	FFCYHCHLGPLYFO-SZVBFZGTSA-N	1	0	371.481	1.634	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2OCc3ccccc32)C[C@H]1C	ZINC001106930941	893022216	/nfs/dbraw/zinc/02/22/16/893022216.db2.gz	JFKWAZKXDWVXIJ-SUMDDJOVSA-N	1	0	369.465	1.082	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1	ZINC000940744967	893072192	/nfs/dbraw/zinc/07/21/92/893072192.db2.gz	MLCJYHFXUWMBAI-WCXIOVBPSA-N	1	0	351.491	1.271	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(Cl)cc2)C[C@H]1C	ZINC001106937834	893091564	/nfs/dbraw/zinc/09/15/64/893091564.db2.gz	GOCIGVVPUSXMMG-GDBMZVCRSA-N	1	0	363.889	1.869	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2c2cn(C)nc2C)CC1	ZINC000672356625	893185745	/nfs/dbraw/zinc/18/57/45/893185745.db2.gz	IMBCSOIEXDCAEZ-SFHVURJKSA-N	1	0	373.501	1.549	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCOc3cccc(F)c3C2)CC1	ZINC000672355197	893215405	/nfs/dbraw/zinc/21/54/05/893215405.db2.gz	WWPWGHKPHDSRHP-UHFFFAOYSA-N	1	0	361.417	1.313	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2n[nH]c3ccccc32)C[C@H]1C	ZINC001106941822	893261707	/nfs/dbraw/zinc/26/17/07/893261707.db2.gz	DWWHIPMVEAXABW-QLFBSQMISA-N	1	0	369.469	1.551	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C(C)(C)C1	ZINC000940811395	893277831	/nfs/dbraw/zinc/27/78/31/893277831.db2.gz	JFCCVOFLOVQNSL-IPMKNSEASA-N	1	0	356.466	1.993	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C)cc2C)C[C@H]1C	ZINC001106942062	893282889	/nfs/dbraw/zinc/28/28/89/893282889.db2.gz	PPWPTSOTYBFXQU-FGTMMUONSA-N	1	0	355.482	1.739	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCc2cnn(C)c2)CC1(C)C	ZINC000941039342	893667444	/nfs/dbraw/zinc/66/74/44/893667444.db2.gz	OZTYJDVEMGDOJV-FGTMMUONSA-N	1	0	360.502	1.770	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C(C)(C)C1	ZINC000941027504	893692104	/nfs/dbraw/zinc/69/21/04/893692104.db2.gz	GUUQXJDHBXDDQF-IKGGRYGDSA-N	1	0	365.518	1.805	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C(C)(C)C1	ZINC000941027813	893693646	/nfs/dbraw/zinc/69/36/46/893693646.db2.gz	IGNVFGCRLLRIJA-GVDBMIGSSA-N	1	0	363.502	1.559	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2cn3c(n2)COCC3)[C@H](OC)C1	ZINC001212459106	893742541	/nfs/dbraw/zinc/74/25/41/893742541.db2.gz	XDSDQVZGGSFGBA-NVXWUHKLSA-N	1	0	364.490	1.813	20	30		FDEDRO
C=CC[C@@H](CO)[NH2+]Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000921996070	893954108	/nfs/dbraw/zinc/95/41/08/893954108.db2.gz	VSSLPUZWJQTJFV-LSDHHAIUSA-N	1	0	365.478	1.877	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C	ZINC000922021122	894443649	/nfs/dbraw/zinc/44/36/49/894443649.db2.gz	LPDZNNDXSSDPKJ-HUUCEWRRSA-N	1	0	357.376	1.992	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(F)cc(C(=O)OC)c1	ZINC000922022045	894482120	/nfs/dbraw/zinc/48/21/20/894482120.db2.gz	FEFNDQUMPYUDHR-UHFFFAOYSA-N	1	0	368.430	1.330	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1C[C@H](OCC)C12CCOCC2)C1CC[NH+](C)CC1	ZINC000922025170	894532887	/nfs/dbraw/zinc/53/28/87/894532887.db2.gz	QWEZTFFABBJTGT-MSOLQXFVSA-N	1	0	363.502	1.700	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2nc3cc(OC)ccc3n2C)CC1	ZINC000922033152	894652105	/nfs/dbraw/zinc/65/21/05/894652105.db2.gz	QUHFKUTXEYFRAU-UHFFFAOYSA-N	1	0	355.442	1.479	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCN(C)C(=O)C2)[C@H](OC)C1	ZINC001212471732	894709334	/nfs/dbraw/zinc/70/93/34/894709334.db2.gz	ADYVUHAHCCVBTL-GVDBMIGSSA-N	1	0	353.507	1.641	20	30		FDEDRO
CCC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)c1ccccc1	ZINC001106955890	894831349	/nfs/dbraw/zinc/83/13/49/894831349.db2.gz	ODZBDWQGIZWFNK-QRQLOZEOSA-N	1	0	370.497	1.894	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000941932312	896029620	/nfs/dbraw/zinc/02/96/20/896029620.db2.gz	XVAFAHYFPFGEEV-HSALFYBXSA-N	1	0	367.493	1.658	20	30		FDEDRO
CN(C)C(=O)c1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)cc1	ZINC001084334753	914056203	/nfs/dbraw/zinc/05/62/03/914056203.db2.gz	IUDILVYYWMSCNY-WOJBJXKFSA-N	1	0	365.477	1.835	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1	ZINC000942146007	896484500	/nfs/dbraw/zinc/48/45/00/896484500.db2.gz	YDDRHUZXNSTYJA-BRWVUGGUSA-N	1	0	365.518	1.804	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)[C@@H]1CCOC1	ZINC000274624986	896867065	/nfs/dbraw/zinc/86/70/65/896867065.db2.gz	UDTOWBKSANCBLD-KVSKMBFKSA-N	1	0	374.460	1.549	20	30		FDEDRO
CC(C)Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)cc1	ZINC001106969206	896894654	/nfs/dbraw/zinc/89/46/54/896894654.db2.gz	PAGJZJGDSOGMIN-VQIMIIECSA-N	1	0	370.497	1.823	20	30		FDEDRO
CC(C)[C@@H]1C[N@H+](C)CCN1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O	ZINC000153667048	896943436	/nfs/dbraw/zinc/94/34/36/896943436.db2.gz	YVFGGEAKFLIISD-SFHVURJKSA-N	1	0	369.469	1.552	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1	ZINC000942553382	897336314	/nfs/dbraw/zinc/33/63/14/897336314.db2.gz	VSJNQZRYIIAAFC-MDZRGWNJSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)Cc2c(C)nc(C)[nH]c2=O)C[C@H]1C	ZINC001106979378	897382503	/nfs/dbraw/zinc/38/25/03/897382503.db2.gz	HHZISAAVFGJZNU-QMTHXVAHSA-N	1	0	352.866	1.778	20	30		FDEDRO
C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCO[C@H]2C(=C)C)CC2(CCOCC2)C1	ZINC001089961328	897401626	/nfs/dbraw/zinc/40/16/26/897401626.db2.gz	HDCUNUYOOWWLBQ-FHWLQOOXSA-N	1	0	360.498	1.978	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2OCCO[C@H]2C)C1	ZINC000995270001	897674876	/nfs/dbraw/zinc/67/48/76/897674876.db2.gz	ZQVVKFPFACSRLF-SXLOBPIMSA-N	1	0	371.481	1.559	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000942811087	897824665	/nfs/dbraw/zinc/82/46/65/897824665.db2.gz	JDQKOWMBQAPUKK-OKZBNKHCSA-N	1	0	371.485	1.680	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000942826321	897877811	/nfs/dbraw/zinc/87/78/11/897877811.db2.gz	WYSDURAJWKPHPH-HSALFYBXSA-N	1	0	371.525	1.827	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1O	ZINC001078082894	897911977	/nfs/dbraw/zinc/91/19/77/897911977.db2.gz	YUFNUNYOWRNPTR-RTBURBONSA-N	1	0	354.475	1.676	20	30		FDEDRO
COC(=O)[C@]12C[N@@H+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)C[C@H]1COCC2	ZINC000369550773	897955605	/nfs/dbraw/zinc/95/56/05/897955605.db2.gz	MVALEWQFVQIRKZ-ZUEVXXBESA-N	1	0	357.410	1.397	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c3ncccc23)C[C@H]1C	ZINC001106994324	898254302	/nfs/dbraw/zinc/25/43/02/898254302.db2.gz	JFMJUZBCZZODAR-QLFBSQMISA-N	1	0	369.469	1.551	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N[C@@H]2C[N@H+](C[C@H](CC)OC)C[C@H]2O)cc1	ZINC001078243275	898504978	/nfs/dbraw/zinc/50/49/78/898504978.db2.gz	CFZWWXUXWJOMNH-QXAKKESOSA-N	1	0	362.470	1.380	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)C[NH+]2CCCC2)C1	ZINC000943283717	898608432	/nfs/dbraw/zinc/60/84/32/898608432.db2.gz	LMURHMACUPHTLD-KSZLIROESA-N	1	0	363.502	1.561	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2ccn(C)n2)C1	ZINC001078402788	898737296	/nfs/dbraw/zinc/73/72/96/898737296.db2.gz	XXFGXUKQHQOLAP-KURKYZTESA-N	1	0	362.474	1.108	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1	ZINC000943341883	898759504	/nfs/dbraw/zinc/75/95/04/898759504.db2.gz	PSVBXEXFQGCVIG-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@H](OC)C2)CC1	ZINC000943601796	899077836	/nfs/dbraw/zinc/07/78/36/899077836.db2.gz	QNGYVDCBPXDYEG-CGTJXYLNSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1	ZINC000943708178	899262317	/nfs/dbraw/zinc/26/23/17/899262317.db2.gz	YETRIZYQBWGCSK-DWRORGKVSA-N	1	0	363.502	1.607	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C)C(=O)NC1CC1	ZINC001107016792	899552176	/nfs/dbraw/zinc/55/21/76/899552176.db2.gz	FSTOUQMKOUDHEW-ZIFCJYIRSA-N	1	0	367.493	1.779	20	30		FDEDRO
CCN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C	ZINC001107017003	899553737	/nfs/dbraw/zinc/55/37/37/899553737.db2.gz	KVMAESUCDOTNCQ-UYAOXDASSA-N	1	0	369.509	1.981	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3nnnn3C)[C@H](C)C2)CCCCC1	ZINC001107020376	899595607	/nfs/dbraw/zinc/59/56/07/899595607.db2.gz	JPJHLZDMOVVGMI-HZPDHXFCSA-N	1	0	360.506	1.921	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C	ZINC000944266975	900035417	/nfs/dbraw/zinc/03/54/17/900035417.db2.gz	YQPGDZOLXAHDKA-ZJPYXAASSA-N	1	0	365.518	1.661	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C23CC(C(F)(F)F)(C2)C3)C[C@H]1C	ZINC001107042216	900055070	/nfs/dbraw/zinc/05/50/70/900055070.db2.gz	AUJWHRVVMNZZJA-QJRTVWDNSA-N	1	0	371.403	1.153	20	30		FDEDRO
CC1=C(C)C[C@](C)(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)CC1	ZINC001107056415	900189038	/nfs/dbraw/zinc/18/90/38/900189038.db2.gz	WGPPGFPXBRPJSN-MBOZVWFJSA-N	1	0	360.502	1.837	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC3(CCN(C(=O)C#CC4CC4)C3)CC2)CC[N@@H+]1C	ZINC000944387547	900232483	/nfs/dbraw/zinc/23/24/83/900232483.db2.gz	WKOUDSWICGMSAA-SJLPKXTDSA-N	1	0	357.498	1.581	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCCCC2)[C@H](C)C1	ZINC001107062258	900442027	/nfs/dbraw/zinc/44/20/27/900442027.db2.gz	FSJFFYQZYYIWSQ-IXDOHACOSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C(C)C)[C@H](C)C1	ZINC001107064900	900452256	/nfs/dbraw/zinc/45/22/56/900452256.db2.gz	BSVWNLWSUBEZKR-IXDOHACOSA-N	1	0	353.507	1.519	20	30		FDEDRO
CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@H]1CCN(c2c(F)cccc2F)C1	ZINC000185532352	900469188	/nfs/dbraw/zinc/46/91/88/900469188.db2.gz	OIJATHYCVDFPRK-ZDUSSCGKSA-N	1	0	367.444	1.575	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CCCC)NC(N)=O)C[C@H]1C	ZINC001107074755	900527179	/nfs/dbraw/zinc/52/71/79/900527179.db2.gz	ISVGJUVISLSRAI-BZUAXINKSA-N	1	0	354.495	1.100	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2c(OC)ncnc2OC)C[C@H]1C	ZINC001107086415	900709579	/nfs/dbraw/zinc/70/95/79/900709579.db2.gz	WHDWHMVEBPXNRG-ZYHUDNBSSA-N	1	0	354.838	1.544	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c(C)cccc2F)C[C@H]1C	ZINC001107087160	900717696	/nfs/dbraw/zinc/71/76/96/900717696.db2.gz	QSKMOXWKRGXREK-BZUAXINKSA-N	1	0	359.445	1.570	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCCO2)C[C@H]1C	ZINC001107089659	900801644	/nfs/dbraw/zinc/80/16/44/900801644.db2.gz	YJOFEZDMNIJNLR-BRWVUGGUSA-N	1	0	351.491	1.322	20	30		FDEDRO
C#CCN(CC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)C1CC1	ZINC000763960481	901120559	/nfs/dbraw/zinc/12/05/59/901120559.db2.gz	PJQLTQZLBBQBJP-UHFFFAOYSA-N	1	0	357.429	1.775	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CCNc2ccnc(C#N)n2)CC[N@@H+]1C	ZINC001063852580	901167514	/nfs/dbraw/zinc/16/75/14/901167514.db2.gz	HBUYINSFILILFS-YESZJQIVSA-N	1	0	370.501	1.684	20	30		FDEDRO
CC(C)c1ncc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)s1	ZINC001107103912	901167842	/nfs/dbraw/zinc/16/78/42/901167842.db2.gz	RZTRFFRCYIQOCW-CHWSQXEVSA-N	1	0	363.487	1.204	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC(CCN(C)c3cncc(C#N)n3)CC2)CC[N@@H+]1C	ZINC001063974749	901221631	/nfs/dbraw/zinc/22/16/31/901221631.db2.gz	PDDMJTVETAEYIF-CRAIPNDOSA-N	1	0	370.501	1.753	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(C[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1=O	ZINC000348417491	901310738	/nfs/dbraw/zinc/31/07/38/901310738.db2.gz	LLJKGEMWNYMBKV-QZTJIDSGSA-N	1	0	357.454	1.674	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1=O	ZINC000348622172	901332440	/nfs/dbraw/zinc/33/24/40/901332440.db2.gz	VIOYTCZPLVSBHG-MSOLQXFVSA-N	1	0	373.453	1.401	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NC(=O)[C@@]23CC[N@H+](C2)CCC3)CCC1	ZINC001064583810	901432544	/nfs/dbraw/zinc/43/25/44/901432544.db2.gz	ORLIMVJRDYLSHE-GJYPPUQNSA-N	1	0	361.486	1.219	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3cccc(C#N)c3)C[C@@H]2O)CC1	ZINC001083908603	901565880	/nfs/dbraw/zinc/56/58/80/901565880.db2.gz	MPTCUANLOGQQAM-UXHICEINSA-N	1	0	370.497	1.340	20	30		FDEDRO
CC(C)[N@H+](C)CC(=O)N1CC[C@H]2CN(c3ncc(C#N)cc3Cl)C[C@H]21	ZINC001090315488	901634283	/nfs/dbraw/zinc/63/42/83/901634283.db2.gz	WMDXQWJPPUQBNE-GOEBONIOSA-N	1	0	361.877	1.984	20	30		FDEDRO
N#Cc1cnc(N2C[C@@H]3CCN(C(=O)CCC[NH+]4CCCCC4)[C@@H]3C2)cn1	ZINC001090318075	901640540	/nfs/dbraw/zinc/64/05/40/901640540.db2.gz	QKRMZFYUYGTOJP-FUHWJXTLSA-N	1	0	368.485	1.651	20	30		FDEDRO
C#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C2CC[NH+](C)CC2)C1	ZINC001079142619	901950830	/nfs/dbraw/zinc/95/08/30/901950830.db2.gz	LEXGVYDQTILVFS-WOJBJXKFSA-N	1	0	355.482	1.035	20	30		FDEDRO
C#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cncnc2CC)C1	ZINC001079146967	901969975	/nfs/dbraw/zinc/96/99/75/901969975.db2.gz	QCLIVUASIVRMOL-WOJBJXKFSA-N	1	0	364.449	1.360	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH2+]CC(N)=O)C2)c[nH]1	ZINC001079150655	901982850	/nfs/dbraw/zinc/98/28/50/901982850.db2.gz	ZXPNYFWLRLAZPI-DLBZAZTESA-N	1	0	369.400	1.099	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC)C2)CC[C@H]1c1ccc(F)cc1	ZINC001079152449	901988309	/nfs/dbraw/zinc/98/83/09/901988309.db2.gz	MWULQOIWTFDFNQ-YTQUADARSA-N	1	0	371.456	1.601	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)CC[C@H]1c1ccc(F)cc1	ZINC001079153647	901989825	/nfs/dbraw/zinc/98/98/25/901989825.db2.gz	SAKOUPYEBPHTNH-RBUKOAKNSA-N	1	0	367.424	1.746	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC(=O)N2C)C1	ZINC001079140340	902025880	/nfs/dbraw/zinc/02/58/80/902025880.db2.gz	CFZHWLJNQNKYBW-IPMKNSEASA-N	1	0	371.481	1.257	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnc(C)n2C)C1	ZINC001079141406	902031201	/nfs/dbraw/zinc/03/12/01/902031201.db2.gz	DJEQFVYQOSCPTC-WOJBJXKFSA-N	1	0	368.481	1.992	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1c1cccc(F)c1)C(N)=O	ZINC001079178147	902064547	/nfs/dbraw/zinc/06/45/47/902064547.db2.gz	WZKWYUJTKWVLOD-XNJJOIOASA-N	1	0	369.400	1.097	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)CC[C@H]1c1ccc(F)cc1	ZINC001079155442	902071563	/nfs/dbraw/zinc/07/15/63/902071563.db2.gz	AHJXXNNCYCPOAJ-QKLQHJQFSA-N	1	0	359.445	1.812	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)CC[C@H]1c1ccc(F)cc1	ZINC001079156838	902074545	/nfs/dbraw/zinc/07/45/45/902074545.db2.gz	KQDBFXWDOGMXCM-GVDBMIGSSA-N	1	0	360.433	1.309	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)CC[C@H]1c1ccc(F)cc1	ZINC001079157084	902075802	/nfs/dbraw/zinc/07/58/02/902075802.db2.gz	YRBYHMAUVVAXAU-KSZLIROESA-N	1	0	359.445	1.907	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH2+]CCO)C2)nc1	ZINC001079161571	902087190	/nfs/dbraw/zinc/08/71/90/902087190.db2.gz	XIFNQYYZBXNLST-AZUAARDMSA-N	1	0	367.424	1.782	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2coc(COC)n2)C[C@H]1c1cccc(F)c1	ZINC001079204751	902107847	/nfs/dbraw/zinc/10/78/47/902107847.db2.gz	KBOHEOXKFHXLNQ-JKSUJKDBSA-N	1	0	357.385	1.791	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3nncn3C2)C[C@H]1c1cccc(F)c1	ZINC001079210957	902120720	/nfs/dbraw/zinc/12/07/20/902120720.db2.gz	KALGJJWGTSLKMT-BPQIPLTHSA-N	1	0	369.444	1.750	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1c1cccc(F)c1	ZINC001079183501	902125473	/nfs/dbraw/zinc/12/54/73/902125473.db2.gz	FXZALEJYBJCRIH-BVPBIZIASA-N	1	0	357.429	1.258	20	30		FDEDRO
CN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2c2cccc(F)c2)C1=O	ZINC001079183499	902125783	/nfs/dbraw/zinc/12/57/83/902125783.db2.gz	FSUKRXYZTZRXEU-IPMKNSEASA-N	1	0	369.440	1.354	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(OC)n(C)n2)C[C@H]1c1cccc(F)c1	ZINC001079190143	902143339	/nfs/dbraw/zinc/14/33/39/902143339.db2.gz	BZADWLBSOBWSLC-DOTOQJQBSA-N	1	0	358.417	1.952	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cncc(F)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079233377	902168416	/nfs/dbraw/zinc/16/84/16/902168416.db2.gz	PBIVXWNRHKYRRX-ZWKOTPCHSA-N	1	0	357.429	1.797	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCNC(=O)C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079235729	902175528	/nfs/dbraw/zinc/17/55/28/902175528.db2.gz	NOQDASOYBOKKLU-YESZJQIVSA-N	1	0	361.486	1.028	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3ccnn3CC)[C@@H]3COC[C@@H]32)CC1	ZINC001079238044	902180523	/nfs/dbraw/zinc/18/05/23/902180523.db2.gz	DWLZVEKLSXNHRS-FUHWJXTLSA-N	1	0	356.470	1.479	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3ccc(F)cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079238163	902180720	/nfs/dbraw/zinc/18/07/20/902180720.db2.gz	LEBQKDLVPVDCQJ-FUHWJXTLSA-N	1	0	357.429	1.797	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)CC3OCCCO3)[C@@H]3COC[C@@H]32)CC1	ZINC001079238069	902180749	/nfs/dbraw/zinc/18/07/49/902180749.db2.gz	GFACKMJAEFSHNY-DLBZAZTESA-N	1	0	364.486	1.655	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)/C=C/c3ccc[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079239204	902183740	/nfs/dbraw/zinc/18/37/40/902183740.db2.gz	IHWKVUQIBKNEKY-HMTUNPETSA-N	1	0	353.466	1.991	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[C@@H]3C(F)F)[C@@H]3COC[C@@H]32)CC1	ZINC001079240454	902188852	/nfs/dbraw/zinc/18/88/52/902188852.db2.gz	PGZZKRGDJIAAOF-YHUYYLMFSA-N	1	0	352.425	1.850	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CN(C(=O)C3=COCCO3)[C@@H]3COC[C@@H]32)CC1	ZINC001079220966	902219490	/nfs/dbraw/zinc/21/94/90/902219490.db2.gz	FIEUYBFESOYVSC-DLBZAZTESA-N	1	0	362.470	1.780	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3c(C)noc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079222121	902224351	/nfs/dbraw/zinc/22/43/51/902224351.db2.gz	UPADDFAUKFUKHN-DLBZAZTESA-N	1	0	357.454	1.868	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)CCn3cccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079225076	902231797	/nfs/dbraw/zinc/23/17/97/902231797.db2.gz	SORLRCMMSHYHGP-ZWKOTPCHSA-N	1	0	356.470	1.236	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3cn(C)nc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079228366	902242675	/nfs/dbraw/zinc/24/26/75/902242675.db2.gz	JFJHLCNQOGUMSW-ZWKOTPCHSA-N	1	0	358.486	1.858	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)Cc3cnccc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079245892	902255173	/nfs/dbraw/zinc/25/51/73/902255173.db2.gz	LGRUOEHQXFDDFL-VQTJNVASSA-N	1	0	367.493	1.895	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)Cc3cnccc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079245998	902257308	/nfs/dbraw/zinc/25/73/08/902257308.db2.gz	NZPPPXAXKVXOQM-RBUKOAKNSA-N	1	0	353.466	1.505	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cn(C)nc3CC)[C@@H]3COC[C@@H]32)CC1	ZINC001079246910	902258667	/nfs/dbraw/zinc/25/86/67/902258667.db2.gz	AFIGMKCHAROFBE-FUHWJXTLSA-N	1	0	356.470	1.169	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)CCc3cccnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079250181	902268513	/nfs/dbraw/zinc/26/85/13/902268513.db2.gz	QGKGDZULQQGZCQ-VQTJNVASSA-N	1	0	367.493	1.977	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3cn(C)ccc3=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079251137	902270729	/nfs/dbraw/zinc/27/07/29/902270729.db2.gz	HYEFJEWCZYLTOP-ZWKOTPCHSA-N	1	0	371.481	1.514	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)C[C@H](C)n3ccc(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079254118	902278004	/nfs/dbraw/zinc/27/80/04/902278004.db2.gz	MLTVRLOVVYFWAX-GBESFXJTSA-N	1	0	370.497	1.715	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3c[nH]c(=O)n3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079254594	902281517	/nfs/dbraw/zinc/28/15/17/902281517.db2.gz	KHDJBSPQZDHVHR-GOEBONIOSA-N	1	0	360.458	1.255	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)[C@@]3(F)CCOC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079256956	902286724	/nfs/dbraw/zinc/28/67/24/902286724.db2.gz	NWAMAVBFHCRDKQ-FRQCXROJSA-N	1	0	350.434	1.078	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3cn(C)c(=O)[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079258952	902293290	/nfs/dbraw/zinc/29/32/90/902293290.db2.gz	SOWADBIHOCXXFP-GOEBONIOSA-N	1	0	360.458	1.255	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@@H](C)Oc3cccnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079259463	902294604	/nfs/dbraw/zinc/29/46/04/902294604.db2.gz	BOLVINYPHUEJTO-NZSAHSFTSA-N	1	0	371.481	1.974	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(CC[NH+](CC#CC)CC2)[C@H]2COC[C@H]21	ZINC001079261924	902302392	/nfs/dbraw/zinc/30/23/92/902302392.db2.gz	PPWZBKSEADWCAE-HCXYKTFWSA-N	1	0	358.482	1.540	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)Cn3nccc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079264001	902309575	/nfs/dbraw/zinc/30/95/75/902309575.db2.gz	VNLJMJIRWGUBPZ-ZWKOTPCHSA-N	1	0	358.486	1.707	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)Cc3cscn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079265671	902313892	/nfs/dbraw/zinc/31/38/92/902313892.db2.gz	VOYVACKGBCHFPV-DLBZAZTESA-N	1	0	359.495	1.648	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cn(CCC)nn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079268278	902321195	/nfs/dbraw/zinc/32/11/95/902321195.db2.gz	WHFZAIWPLJEWSU-FUHWJXTLSA-N	1	0	371.485	1.264	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)C[C@@H](C)n3cccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269080	902322715	/nfs/dbraw/zinc/32/27/15/902322715.db2.gz	FGRCOSDPNLBOTC-FGTMMUONSA-N	1	0	356.470	1.407	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3[nH]cnc3CC)[C@@H]3COC[C@@H]32)CC1	ZINC001079272402	902336018	/nfs/dbraw/zinc/33/60/18/902336018.db2.gz	MLISDSOVJORRCZ-DOTOQJQBSA-N	1	0	356.470	1.548	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc(C(N)=O)c2)C[C@H]1c1ccccc1F	ZINC001079300318	902344605	/nfs/dbraw/zinc/34/46/05/902344605.db2.gz	BUOYEZCOZPFPHF-PKOBYXMFSA-N	1	0	365.408	1.756	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3nn(CC)nc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079275437	902357681	/nfs/dbraw/zinc/35/76/81/902357681.db2.gz	OHZVTXNTTDUKNX-JKSUJKDBSA-N	1	0	359.474	1.345	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cc(CC)n(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079275162	902358040	/nfs/dbraw/zinc/35/80/40/902358040.db2.gz	GWFCMCGMQNLLTD-FUHWJXTLSA-N	1	0	358.486	1.722	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)[C@@H](C)c3cnn(C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079276539	902362468	/nfs/dbraw/zinc/36/24/68/902362468.db2.gz	PBPLSFBXRFPVLR-YTQUADARSA-N	1	0	370.497	1.486	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](OC)c2cnn(C)c2)C[C@H]1c1ccccc1F	ZINC001079303927	902388902	/nfs/dbraw/zinc/38/89/02/902388902.db2.gz	HSAHYXFRQSDEGR-QXAKKESOSA-N	1	0	370.428	1.464	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1c1ccccc1F)C(N)=O	ZINC001079291529	902391017	/nfs/dbraw/zinc/39/10/17/902391017.db2.gz	DRRQECYBEFJCSO-XNJJOIOASA-N	1	0	369.400	1.097	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccn3nnnc23)C[C@H]1c1ccccc1F	ZINC001079296618	902402002	/nfs/dbraw/zinc/40/20/02/902402002.db2.gz	JYNFGURPOMCJJS-DOTOQJQBSA-N	1	0	366.400	1.647	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2cc(OC)no2)C[C@H]1c1ccccc1F	ZINC001079297985	902404821	/nfs/dbraw/zinc/40/48/21/902404821.db2.gz	WNSZRTDQOTUMRO-FUHWJXTLSA-N	1	0	371.412	1.972	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn3ccncc23)C[C@H]1c1ccccc1F	ZINC001079298909	902406359	/nfs/dbraw/zinc/40/63/59/902406359.db2.gz	MYJUJZSPHDGNJX-FUHWJXTLSA-N	1	0	363.396	1.699	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCN(C(=O)CC)C2)C[C@H]1c1ccccc1F	ZINC001079317828	902415747	/nfs/dbraw/zinc/41/57/47/902415747.db2.gz	QOUXBSPMCPCULW-HHXXYDBFSA-N	1	0	371.456	1.601	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(=O)Nc2cc(C)on2)C[C@H]1c1ccccc1F	ZINC001079320823	902423041	/nfs/dbraw/zinc/42/30/41/902423041.db2.gz	LKPMTZAASGMJJW-GOEBONIOSA-N	1	0	370.384	1.278	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)N(C)C2)C[C@H]1c1ccccc1F	ZINC001079322344	902426043	/nfs/dbraw/zinc/42/60/43/902426043.db2.gz	PVCXMERYJODGRK-QILLFSRXSA-N	1	0	357.429	1.211	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1c1ccccc1F	ZINC001079311326	902447951	/nfs/dbraw/zinc/44/79/51/902447951.db2.gz	VKVOZFRAIPJVPD-VPWXQRGCSA-N	1	0	359.445	1.812	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2[C@@H]4CCC[C@@H]42)C3)CC1	ZINC000996020150	902900374	/nfs/dbraw/zinc/90/03/74/902900374.db2.gz	PFVDBWCCODAKNV-MILMJNAHSA-N	1	0	369.509	1.626	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N(CCOC)C[C@H](O)C(F)(F)F)CC1	ZINC000654431261	902972934	/nfs/dbraw/zinc/97/29/34/902972934.db2.gz	CKNSXWNRFCVDKJ-AWEZNQCLSA-N	1	0	367.412	1.608	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(S(C)(=O)=O)o1)C2	ZINC001112538544	903143649	/nfs/dbraw/zinc/14/36/49/903143649.db2.gz	LLXDCUJIBBVGFQ-GUYCJALGSA-N	1	0	350.440	1.148	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c[nH]c(C#N)c2)C3)C1	ZINC000996122040	903151550	/nfs/dbraw/zinc/15/15/50/903151550.db2.gz	HWDPYSBOQCJFRN-IKGGRYGDSA-N	1	0	369.469	1.480	20	30		FDEDRO
Cc1nn(C)cc1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C	ZINC001079861536	903555532	/nfs/dbraw/zinc/55/55/32/903555532.db2.gz	CXQPHEGGAPGCIC-AUUYWEPGSA-N	1	0	351.454	1.779	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1C	ZINC001079878037	903599672	/nfs/dbraw/zinc/59/96/72/903599672.db2.gz	CMJLBFMVVKAMRO-AHRSYUTCSA-N	1	0	355.482	1.213	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCN2CCCC2=O)C(C)(C)C1	ZINC000996405889	903867183	/nfs/dbraw/zinc/86/71/83/903867183.db2.gz	JJEFUZYDUSRSOY-JZXOWHBKSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC24CCC4)C3)CC1	ZINC000996440070	903889904	/nfs/dbraw/zinc/88/99/04/903889904.db2.gz	MDBQGPYOGYPHDG-XWSJACJDSA-N	1	0	369.509	1.770	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3cccs3)CCC[C@@H]12	ZINC001107254917	904153942	/nfs/dbraw/zinc/15/39/42/904153942.db2.gz	IDKNNLFQAQAIBA-VQIMIIECSA-N	1	0	361.511	1.954	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC([NH2+]Cc3ccc(C#N)s3)CC2)C1	ZINC000996593634	904274655	/nfs/dbraw/zinc/27/46/55/904274655.db2.gz	YQHDTNPZGHPLQG-MLGOLLRUSA-N	1	0	360.483	1.615	20	30		FDEDRO
CCn1nncc1C[N@@H+]1CC[C@@]2(CNC(=O)CSCC#N)CCC[C@@H]12	ZINC001107289780	904310855	/nfs/dbraw/zinc/31/08/55/904310855.db2.gz	PIDHMVGMCRPTBV-NVXWUHKLSA-N	1	0	362.503	1.416	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N(CC)CC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000764321968	904366969	/nfs/dbraw/zinc/36/69/69/904366969.db2.gz	PSKVIGLFGBXVEI-UHFFFAOYSA-N	1	0	374.485	1.428	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)OCC(C)C)CCC[C@@H]12	ZINC001107310185	904409979	/nfs/dbraw/zinc/40/99/79/904409979.db2.gz	ZOGDAHPVIDATAR-SQGPQFPESA-N	1	0	363.502	1.158	20	30		FDEDRO
CCC(=O)NCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccc(C#N)cc1)CC2	ZINC001107332451	904469447	/nfs/dbraw/zinc/46/94/47/904469447.db2.gz	WTCKZGJKHLLMKK-WIYYLYMNSA-N	1	0	368.481	1.945	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N[C@@H](C)C1CC1)CC2	ZINC001107329051	904491080	/nfs/dbraw/zinc/49/10/80/904491080.db2.gz	GKEBMHYWLFQBSB-XAUMDUMWSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cncc(C)c3)CCC[C@@H]12	ZINC001107339998	904519962	/nfs/dbraw/zinc/51/99/62/904519962.db2.gz	IYXKHOZDJCIPKK-YLJYHZDGSA-N	1	0	356.470	1.667	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cncc(C)c3)CCC[C@@H]12	ZINC001107340166	904521654	/nfs/dbraw/zinc/52/16/54/904521654.db2.gz	MKTJAWBHZNAMKB-YLJYHZDGSA-N	1	0	354.454	1.114	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@@](C)(O)C3CC3)CCC[C@@H]12	ZINC001107371994	904595738	/nfs/dbraw/zinc/59/57/38/904595738.db2.gz	JZZYITNPCJMNLS-NSISKUIASA-N	1	0	363.502	1.201	20	30		FDEDRO
C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC(C)(C)C1)CC2	ZINC001107374267	904604406	/nfs/dbraw/zinc/60/44/06/904604406.db2.gz	NFPLDUXATUTYSZ-DYESRHJHSA-N	1	0	359.514	1.923	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCC(F)F)CC2	ZINC001107381505	904651877	/nfs/dbraw/zinc/65/18/77/904651877.db2.gz	MKEGECRKSCDRBC-ZTFGCOKTSA-N	1	0	360.445	1.956	20	30		FDEDRO
Cn1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)C#CC4CC4)CCC[C@@H]23)cc1=O	ZINC001107398589	904725643	/nfs/dbraw/zinc/72/56/43/904725643.db2.gz	YXVYVDXKVNAYMN-WIYYLYMNSA-N	1	0	353.466	1.660	20	30		FDEDRO
O=C(C#CC1CC1)NC[C@]12CCC[C@H]1[N@H+](CCCN1CCCC1=O)CC2	ZINC001107399628	904729140	/nfs/dbraw/zinc/72/91/40/904729140.db2.gz	AJOOGESAUVNNMY-WIYYLYMNSA-N	1	0	357.498	1.773	20	30		FDEDRO
CC(C)(C)CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C#CC3CC3)CCC[C@@H]12	ZINC001107399900	904731247	/nfs/dbraw/zinc/73/12/47/904731247.db2.gz	OUKYIXFSZWQQAP-DYESRHJHSA-N	1	0	359.514	1.923	20	30		FDEDRO
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C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cc2ccc3c(c2)OCCO3)[C@H](OC)C1	ZINC001082357177	907153435	/nfs/dbraw/zinc/15/34/35/907153435.db2.gz	LVOFVCCMDUOHLU-VQIMIIECSA-N	1	0	360.454	1.782	20	30		FDEDRO
CN1CC[C@H]([NH2+][C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2c2ccccc2)C1=O	ZINC001081115342	907215480	/nfs/dbraw/zinc/21/54/80/907215480.db2.gz	XYMJFCWLFYRZFI-GBESFXJTSA-N	1	0	351.450	1.215	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cn2cnc3c2CCCC3)C[C@H]1c1ccccc1	ZINC001081146803	907259252	/nfs/dbraw/zinc/25/92/52/907259252.db2.gz	PUWBOCDMWHCOPT-AZUAARDMSA-N	1	0	362.477	1.979	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCCS2(=O)=O)C[C@H]1c1ccccc1	ZINC001081151244	907264982	/nfs/dbraw/zinc/26/49/82/907264982.db2.gz	CRRFXBHEWWWQDV-OKZBNKHCSA-N	1	0	360.479	1.171	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@H]2c2ccccc2)c(F)c1	ZINC001081172115	907299388	/nfs/dbraw/zinc/29/93/88/907299388.db2.gz	XLNRCLYWRMSXFC-FUHWJXTLSA-N	1	0	366.396	1.267	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCCN2C(=O)CCC)[C@H](OC)C1	ZINC001082381711	907357013	/nfs/dbraw/zinc/35/70/13/907357013.db2.gz	XUNFGSUDHYBGKZ-BRWVUGGUSA-N	1	0	351.491	1.559	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N[C@@H]2C[N@@H+](CCCF)C[C@H]2OC)cc1	ZINC001082387171	907419348	/nfs/dbraw/zinc/41/93/48/907419348.db2.gz	QJJYLFNZECKTLI-QZTJIDSGSA-N	1	0	350.434	1.969	20	30		FDEDRO
CC#CCNCc1ccncc1O[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C)O2)C1	ZINC001127898053	907577270	/nfs/dbraw/zinc/57/72/70/907577270.db2.gz	JMAYGFCWIIYBSL-BPQIPLTHSA-N	1	0	357.454	1.742	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)CN3CCCC3=O)C[C@H]2C)cc1C#N	ZINC001082418570	907580758	/nfs/dbraw/zinc/58/07/58/907580758.db2.gz	MMKDLFBHNYERKY-RHSMWYFYSA-N	1	0	370.453	1.126	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082415989	907648717	/nfs/dbraw/zinc/64/87/17/907648717.db2.gz	DDDMVHHHMBPQJT-BDJLRTHQSA-N	1	0	355.373	1.443	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082446454	907802894	/nfs/dbraw/zinc/80/28/94/907802894.db2.gz	OLOCFMFJEWPMBA-FZKQIMNGSA-N	1	0	355.417	1.610	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2CCO[C@H]2CC)CC1	ZINC001077779787	907873211	/nfs/dbraw/zinc/87/32/11/907873211.db2.gz	HRBSWRRGMDKBMR-JQHSSLGASA-N	1	0	363.502	1.158	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1[NH2+]CC(=O)N1CCC[C@@H](C)C1	ZINC001082483681	907906255	/nfs/dbraw/zinc/90/62/55/907906255.db2.gz	ARBYQIVPMXKGDW-CKEIUWERSA-N	1	0	357.458	1.195	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2COC(=O)C2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082475127	907933503	/nfs/dbraw/zinc/93/35/03/907933503.db2.gz	JFUSTAPKYLASQK-SUYBPPKGSA-N	1	0	359.401	1.587	20	30		FDEDRO
CNC(=O)c1ccc(C[NH2+][C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)cc1	ZINC001082480139	907947443	/nfs/dbraw/zinc/94/74/43/907947443.db2.gz	IAFSBFLJXCBOBB-FZKQIMNGSA-N	1	0	365.437	1.496	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1)n1cncn1	ZINC001082481859	907956765	/nfs/dbraw/zinc/95/67/65/907956765.db2.gz	SWQWYKOQTSHTIE-IIYDPXPESA-N	1	0	356.405	1.487	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C)C(=O)N1CCCCC1	ZINC001082482044	907958252	/nfs/dbraw/zinc/95/82/52/907958252.db2.gz	FPZBIIAYTKZIJN-CKEIUWERSA-N	1	0	357.458	1.337	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082490234	907995950	/nfs/dbraw/zinc/99/59/50/907995950.db2.gz	KIQBBNDGKCGPMW-IAQYHMDHSA-N	1	0	358.373	1.239	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2ncc[nH]2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082493090	908015507	/nfs/dbraw/zinc/01/55/07/908015507.db2.gz	VOHMULIFLHICOG-CXAGYDPISA-N	1	0	355.417	1.990	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)C3(c4ccccn4)CC3)C[C@H]2C)C1=O	ZINC001082510996	908037117	/nfs/dbraw/zinc/03/71/17/908037117.db2.gz	RZLDZXHVEZTCHY-BRWVUGGUSA-N	1	0	368.481	1.337	20	30		FDEDRO
C[C@@H]1CN(C(=O)CO[C@@H]2CCOC2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082508048	908151843	/nfs/dbraw/zinc/15/18/43/908151843.db2.gz	NZEVOSYXTLSSDK-FSPWUOQZSA-N	1	0	361.417	1.439	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cc([C@@H]3CCCN3C)[nH]n2)C[C@H]1C	ZINC001082525324	908258503	/nfs/dbraw/zinc/25/85/03/908258503.db2.gz	JZEUVIVWDDGVKE-LYRGGWFBSA-N	1	0	351.882	1.979	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1CC[NH+](CC(=O)N2CCC2)CC1	ZINC000997348959	908280499	/nfs/dbraw/zinc/28/04/99/908280499.db2.gz	VGBCPUOWBCGGCM-AYBZRNKSSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C(C)C)C[C@H]2O)nn1	ZINC001077801252	908297954	/nfs/dbraw/zinc/29/79/54/908297954.db2.gz	JGOXQMNPDMWHCJ-IEBWSBKVSA-N	1	0	369.469	1.563	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C3CC3)C[C@H]2O)nn1	ZINC001077801413	908305416	/nfs/dbraw/zinc/30/54/16/908305416.db2.gz	QICGYQKBQFHCAA-IEBWSBKVSA-N	1	0	367.453	1.317	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C[NH+](C)C)C2	ZINC000997358187	908314196	/nfs/dbraw/zinc/31/41/96/908314196.db2.gz	ANILJPMVBQGHRU-DHXZDTOLSA-N	1	0	354.454	1.770	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCN(C(C)C)C2=O)C1	ZINC001082560534	908621608	/nfs/dbraw/zinc/62/16/08/908621608.db2.gz	CKIYHNOROZKHMF-IXDOHACOSA-N	1	0	358.486	1.734	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn3ccncc23)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082562614	908643230	/nfs/dbraw/zinc/64/32/30/908643230.db2.gz	YFBBDWPLDOZIGN-RDTXWAMCSA-N	1	0	360.421	1.851	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1	ZINC000997398238	908645902	/nfs/dbraw/zinc/64/59/02/908645902.db2.gz	FODZHJRQTJECNH-YRXWBPOGSA-N	1	0	357.498	1.911	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2c(C)noc2CC)C1	ZINC001082568865	908714995	/nfs/dbraw/zinc/71/49/95/908714995.db2.gz	WAWWPCIMCUWADJ-OLMNPRSZSA-N	1	0	358.486	1.580	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)OCCOC)C2	ZINC001112539554	908760598	/nfs/dbraw/zinc/76/05/98/908760598.db2.gz	GXMGPXNOAYWZGA-AOIWGVFYSA-N	1	0	354.491	1.459	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](C)C2(C(=O)OCC)CCOCC2)CC1	ZINC000888349267	908897300	/nfs/dbraw/zinc/89/73/00/908897300.db2.gz	NQPOLCJOHKKWDN-OAHLLOKOSA-N	1	0	350.459	1.196	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)C(C)(C)c3cccnc3)C[C@H]2C)C1=O	ZINC001082608538	908985307	/nfs/dbraw/zinc/98/53/07/908985307.db2.gz	DGXIMEQGSLSSIT-KBAYOESNSA-N	1	0	370.497	1.583	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(CCF)c2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082609868	908995269	/nfs/dbraw/zinc/99/52/69/908995269.db2.gz	LWJLSYIOYPSNMM-RDTXWAMCSA-N	1	0	355.417	1.975	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082610993	909004445	/nfs/dbraw/zinc/00/44/45/909004445.db2.gz	MBHFLRSWSNBBFQ-SUYBPPKGSA-N	1	0	358.417	1.160	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CCSC)C(=O)N(C)OC)CC1	ZINC000765758891	909027507	/nfs/dbraw/zinc/02/75/07/909027507.db2.gz	MZNJNTHNJHPAKT-HNNXBMFYSA-N	1	0	372.535	1.468	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1CN(Cc2cnc(C)o2)C[C@H]1OC)OCC	ZINC001212354561	909068069	/nfs/dbraw/zinc/06/80/69/909068069.db2.gz	AWLGMCXKSMMERS-BRWVUGGUSA-N	1	0	351.447	1.670	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1OC)OCC	ZINC001212355088	909074513	/nfs/dbraw/zinc/07/45/13/909074513.db2.gz	SSYIPSIPZVXGJF-FGTMMUONSA-N	1	0	356.507	1.988	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3c[nH]nc3CCC)C[C@H]2C)C1=O	ZINC001082612877	909102963	/nfs/dbraw/zinc/10/29/63/909102963.db2.gz	QGLHNHWHLUJYRT-KBRIMQKVSA-N	1	0	359.474	1.199	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cccc(COC)c3)C[C@H]2C)C1=O	ZINC001082624014	909147354	/nfs/dbraw/zinc/14/73/54/909147354.db2.gz	BZTVXHOVIUNMOC-AYOQOUSVSA-N	1	0	371.481	1.670	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082662444	909389416	/nfs/dbraw/zinc/38/94/16/909389416.db2.gz	BYYCRRABSLAFBK-BDJLRTHQSA-N	1	0	370.384	1.640	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(COC)cc2)C[C@@H]1O	ZINC001083789982	909502625	/nfs/dbraw/zinc/50/26/25/909502625.db2.gz	IREODDWWQICARX-YRXWBPOGSA-N	1	0	360.454	1.085	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC000997748290	909599596	/nfs/dbraw/zinc/59/95/96/909599596.db2.gz	JWSNXROLISTWGB-UAGQMJEPSA-N	1	0	351.491	1.415	20	30		FDEDRO
C[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC[NH+](Cc2ccccc2C#N)CC1	ZINC000997753676	909612192	/nfs/dbraw/zinc/61/21/92/909612192.db2.gz	FOROTIBCOIIKFQ-VHSSKADRSA-N	1	0	354.454	1.396	20	30		FDEDRO
CC(C)N1C(=O)CC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001082701574	909615108	/nfs/dbraw/zinc/61/51/08/909615108.db2.gz	VKMTWJLRGCSTEH-LZQZEXGQSA-N	1	0	368.481	1.894	20	30		FDEDRO
Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)s2)C1	ZINC001082697795	909656826	/nfs/dbraw/zinc/65/68/26/909656826.db2.gz	ZCBKIRXBTOAQFZ-QMTHXVAHSA-N	1	0	357.439	1.674	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3nc(Cl)cs3)C[C@H]2C)C1=O	ZINC001082704485	909709501	/nfs/dbraw/zinc/70/95/01/909709501.db2.gz	LWFSFWCDCOUUEW-GRYCIOLGSA-N	1	0	368.890	1.634	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC[NH+](C)CC2)C3)cn1	ZINC000997881644	909858492	/nfs/dbraw/zinc/85/84/92/909858492.db2.gz	LYGPDPTYCYFASX-QYZOEREBSA-N	1	0	366.465	1.266	20	30		FDEDRO
C=C(C)CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@]13C[C@H]1COC3)CC2	ZINC001128004686	909864976	/nfs/dbraw/zinc/86/49/76/909864976.db2.gz	CXLIHOMVCHOOEL-DOXZYTNZSA-N	1	0	359.474	1.192	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H]3CCN(C4CCC4)C3=O)C2)c1	ZINC001082730505	909866399	/nfs/dbraw/zinc/86/63/99/909866399.db2.gz	YMEROMYSOGCCMZ-MDASCCDHSA-N	1	0	366.465	1.266	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C(N)=O)co2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082734647	909902052	/nfs/dbraw/zinc/90/20/52/909902052.db2.gz	SEMMXMQFGHOVKE-BDJLRTHQSA-N	1	0	370.384	1.640	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCC(=O)N2)C[C@H]1C	ZINC001082734781	909903451	/nfs/dbraw/zinc/90/34/51/909903451.db2.gz	YJDPUSQGKBFAFL-KGYLQXTDSA-N	1	0	358.280	1.390	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3cnc[nH]3)C[C@H]2C)cc1C#N	ZINC001082767411	910066519	/nfs/dbraw/zinc/06/65/19/910066519.db2.gz	SQKRLQLPHOUUNK-CXAGYDPISA-N	1	0	353.426	1.469	20	30		FDEDRO
CCCN1C[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)CC1=O	ZINC001082772691	910091654	/nfs/dbraw/zinc/09/16/54/910091654.db2.gz	ZKKVMGUAWGEXBV-ATZDWAIDSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cc(COC)on2)C[C@H]1C	ZINC001082789192	910178756	/nfs/dbraw/zinc/17/87/56/910178756.db2.gz	SVMVIBNESMQWOS-NOZJJQNGSA-N	1	0	358.236	1.780	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccnc3C)C2)nn1	ZINC001082796155	910184559	/nfs/dbraw/zinc/18/45/59/910184559.db2.gz	UVQZTUDOIFCVLB-RHSMWYFYSA-N	1	0	354.458	1.808	20	30		FDEDRO
CC(=O)N1CC[C@@](C)(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1	ZINC001082847014	910427792	/nfs/dbraw/zinc/42/77/92/910427792.db2.gz	RITSQLGNXGZOCE-QFIXIFRTSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cccn2)C1	ZINC001082850978	910459634	/nfs/dbraw/zinc/45/96/34/910459634.db2.gz	GYBDAEGYYLAYGO-HZPDHXFCSA-N	1	0	355.442	1.593	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[NH2+][C@H]2CCN(CC)C2=O)CC1	ZINC000998148068	910468795	/nfs/dbraw/zinc/46/87/95/910468795.db2.gz	KVPZDPMKBNMVSZ-BZSNNMDCSA-N	1	0	363.502	1.417	20	30		FDEDRO
C[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1)N1CCCC1=O	ZINC001082856864	910491364	/nfs/dbraw/zinc/49/13/64/910491364.db2.gz	JWCHZJRXNFBDSY-GPMSIDNRSA-N	1	0	368.481	1.896	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccns2)C1	ZINC001082869158	910511060	/nfs/dbraw/zinc/51/10/60/910511060.db2.gz	UPGOLEOKGLTEKJ-RHSMWYFYSA-N	1	0	370.478	1.843	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCCC[C@H]3C)C2)nc1	ZINC001082869236	910512761	/nfs/dbraw/zinc/51/27/61/910512761.db2.gz	YSJUKHDKGCXFMC-GPMSIDNRSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccnc(N(C)C)c3)C2)nc1	ZINC001082869213	910513127	/nfs/dbraw/zinc/51/31/27/910513127.db2.gz	XNZGOLPJOJNARC-DNVCBOLYSA-N	1	0	363.465	1.774	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCc3cnn(CC)c3)C2)cn1	ZINC001082870887	910522064	/nfs/dbraw/zinc/52/20/64/910522064.db2.gz	PYBGCHDHEQZPJE-DNVCBOLYSA-N	1	0	351.454	1.572	20	30		FDEDRO
CC(=O)N1CC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)s3)C2)C1	ZINC001082888606	910693057	/nfs/dbraw/zinc/69/30/57/910693057.db2.gz	UZJLVQZMVOEECU-HACGYAERSA-N	1	0	360.483	1.425	20	30		FDEDRO
Cc1nn(C)c(F)c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001082889682	910700964	/nfs/dbraw/zinc/70/09/64/910700964.db2.gz	QHCTYAZKPVUYHA-MLGOLLRUSA-N	1	0	355.417	1.990	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@H]2OC)CCOCC1	ZINC001212395661	910739267	/nfs/dbraw/zinc/73/92/67/910739267.db2.gz	JWWKRTMMKIGSMG-KZNAEPCWSA-N	1	0	364.486	1.191	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)COc3cccc(C)c3)C[C@H]2C)C1=O	ZINC001082917158	910904585	/nfs/dbraw/zinc/90/45/85/910904585.db2.gz	YUIYDITZFAUWNH-NZSAHSFTSA-N	1	0	371.481	1.597	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CCc3ccc(C)o3)C[C@H]2C)C1=O	ZINC001082941002	911015418	/nfs/dbraw/zinc/01/54/18/911015418.db2.gz	IIWHPTOWPIHLBX-ZTFGCOKTSA-N	1	0	359.470	1.744	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1O	ZINC001077821842	911142022	/nfs/dbraw/zinc/14/20/22/911142022.db2.gz	JOHOGQZORNXYEO-NBYUQASBSA-N	1	0	369.465	1.810	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)s2)C1)N1CCOCC1	ZINC001082964118	911173467	/nfs/dbraw/zinc/17/34/67/911173467.db2.gz	OQWXZBMHHLDXCN-JKIFEVAISA-N	1	0	362.499	1.277	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)C1	ZINC000658810900	911534327	/nfs/dbraw/zinc/53/43/27/911534327.db2.gz	FJPHXAZTFVXODL-QGZVFWFLSA-N	1	0	352.523	1.143	20	30		FDEDRO
COc1ccccc1CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)C#N)[C@H]2C1	ZINC001083027123	911610689	/nfs/dbraw/zinc/61/06/89/911610689.db2.gz	ZPCLZLTWSMGZAC-VDZJLULYSA-N	1	0	357.454	1.699	20	30		FDEDRO
CO[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C	ZINC001212410301	911893239	/nfs/dbraw/zinc/89/32/39/911893239.db2.gz	PXTBUSANIATIRN-AQNXPRMDSA-N	1	0	355.482	1.194	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2COCCO2)cc1F	ZINC001085136541	921702011	/nfs/dbraw/zinc/70/20/11/921702011.db2.gz	BFCZBSWUGCBBLC-KZNAEPCWSA-N	1	0	361.417	1.630	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C2CC2)[NH+](C)C)cn1	ZINC000998953139	911922461	/nfs/dbraw/zinc/92/24/61/911922461.db2.gz	BIPCSVWMHCAUQE-XWSJACJDSA-N	1	0	366.465	1.265	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+]2CCCC2)cn1	ZINC000998954302	911923612	/nfs/dbraw/zinc/92/36/12/911923612.db2.gz	LNMOYTYOARFUPO-SQNIBIBYSA-N	1	0	352.438	1.020	20	30		FDEDRO
C[C@]1(C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)CNC(=O)C1	ZINC001084541558	915269119	/nfs/dbraw/zinc/26/91/19/915269119.db2.gz	TTWBQDUCMFEXMW-MBOZVWFJSA-N	1	0	352.438	1.117	20	30		FDEDRO
C[C@]1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)CNC(=O)C1	ZINC001084541541	915269247	/nfs/dbraw/zinc/26/92/47/915269247.db2.gz	SCKCGYBYQSXEKF-MBOZVWFJSA-N	1	0	352.438	1.117	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](C[C@@H]4CCc5ncnn54)C[C@H]32)cc1	ZINC001084567608	915399632	/nfs/dbraw/zinc/39/96/32/915399632.db2.gz	CAUKMLWKWCHJDH-CEXWTWQISA-N	1	0	361.449	1.593	20	30		FDEDRO
Cn1c(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)cccc1=O	ZINC001084649601	915838655	/nfs/dbraw/zinc/83/86/55/915838655.db2.gz	XWBCKTTYXORPEL-IEBWSBKVSA-N	1	0	362.433	1.603	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC(=O)N(C)[C@@H]3c3cccnc3)[C@@H]2C1	ZINC001084713935	916453911	/nfs/dbraw/zinc/45/39/11/916453911.db2.gz	GDJQVSFRUZMKSP-AJYBTWMASA-N	1	0	368.481	1.710	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC(=O)N(C)[C@@H]3c3cccnc3)[C@@H]2C1	ZINC001084714204	916491355	/nfs/dbraw/zinc/49/13/55/916491355.db2.gz	UXISAPRZNAHACN-SFNKJDCFSA-N	1	0	354.454	1.320	20	30		FDEDRO
N#Cc1ccc(F)cc1CN1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1	ZINC001084777589	917050619	/nfs/dbraw/zinc/05/06/19/917050619.db2.gz	FMIVPHRPOFIUMC-VQIMIIECSA-N	1	0	368.456	1.826	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](CCCN4CCCC4=O)C[C@H]32)cn1	ZINC001084784317	917092424	/nfs/dbraw/zinc/09/24/24/917092424.db2.gz	KTSJMEODVATJOX-IEBWSBKVSA-N	1	0	366.465	1.222	20	30		FDEDRO
Cn1cncc1CCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001084805470	917264851	/nfs/dbraw/zinc/26/48/51/917264851.db2.gz	PWLYNXXBCINHED-UYAOXDASSA-N	1	0	363.465	1.957	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)c(F)c1	ZINC001084831801	917523250	/nfs/dbraw/zinc/52/32/50/917523250.db2.gz	ZWNIDUWSYKNJRU-IEBWSBKVSA-N	1	0	356.445	1.826	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H]2CC[N@H+](Cc3ccc4c(c3)nnn4C)[C@H]2C1	ZINC001084906206	918167926	/nfs/dbraw/zinc/16/79/26/918167926.db2.gz	GQLXBIIYBROGKZ-SIIHOXLZSA-N	1	0	352.442	1.551	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cscn4)C[C@@H]32)C1=O	ZINC001084904188	918180332	/nfs/dbraw/zinc/18/03/32/918180332.db2.gz	KAFADWBWETYYCH-BPUTZDHNSA-N	1	0	360.483	1.466	20	30		FDEDRO
c1cc2c(ncnc2N=NC2CC[NH+](CCN3CCOCC3)CC2)s1	ZINC000731559049	918198497	/nfs/dbraw/zinc/19/84/97/918198497.db2.gz	RHUHEHISJAIWFC-UHFFFAOYSA-N	1	0	360.487	1.887	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3CC[N@H+](C[C@H]4CCNC(=O)CC4)[C@H]3C2)c1	ZINC001084915820	918287058	/nfs/dbraw/zinc/28/70/58/918287058.db2.gz	SPINFRCKAXWKFA-KYJSFNMBSA-N	1	0	369.469	1.339	20	30		FDEDRO
Cc1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]32)ncn1	ZINC001084921769	918365380	/nfs/dbraw/zinc/36/53/80/918365380.db2.gz	SRKDKXVEKDHIBN-KDOFPFPSSA-N	1	0	350.426	1.721	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4c(C)ccn4C)C[C@@H]32)C1=O	ZINC001084928337	918423108	/nfs/dbraw/zinc/42/31/08/918423108.db2.gz	FDNIXHVSYZIZKF-BZSNNMDCSA-N	1	0	370.497	1.657	20	30		FDEDRO
C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21	ZINC001084937661	918577570	/nfs/dbraw/zinc/57/75/70/918577570.db2.gz	PVPQDPLAYDBEKB-QRQLOZEOSA-N	1	0	357.498	1.724	20	30		FDEDRO
Cn1ccc(CC(=O)N2CC[C@H]3CC[N@H+](Cc4cccc(C#N)c4)[C@H]3C2)n1	ZINC001084938447	918589000	/nfs/dbraw/zinc/58/90/00/918589000.db2.gz	IWUSSSPYOJEGML-QUCCMNQESA-N	1	0	363.465	1.957	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCc3cnn(C)c3)[C@H]2C1	ZINC001084943218	918610429	/nfs/dbraw/zinc/61/04/29/918610429.db2.gz	OGHSQIMQQQJXKV-ZRNYENFQSA-N	1	0	372.513	1.867	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc4c3NC(=O)CO4)C[C@@H]21	ZINC001084960019	918829218	/nfs/dbraw/zinc/82/92/18/918829218.db2.gz	PMFNVKOVUSUVMB-ZBFHGGJFSA-N	1	0	353.422	1.577	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2CC[N@H+](CCn3cncn3)[C@H]2C1	ZINC001084959097	918859830	/nfs/dbraw/zinc/85/98/30/918859830.db2.gz	TUMGDGMSEOZRIT-AEFFLSMTSA-N	1	0	354.458	1.502	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cnc(C)o3)[C@H]2C1	ZINC001084961238	918908436	/nfs/dbraw/zinc/90/84/36/918908436.db2.gz	UMMWBLLRJLDQDU-NEWSRXKRSA-N	1	0	356.470	1.503	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CCCC(=O)N4)C[C@@H]32)cc1	ZINC001084966971	918921274	/nfs/dbraw/zinc/92/12/74/918921274.db2.gz	XWIQKUSLBHCEQF-QRVBRYPASA-N	1	0	366.465	1.650	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cn4c(n3)C[C@@H](OC)CC4)C[C@@H]21	ZINC001084969575	918957635	/nfs/dbraw/zinc/95/76/35/918957635.db2.gz	OCJXANBQPAHJLX-RYRKJORJSA-N	1	0	358.486	1.957	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c(cc[nH]c4=O)n3)C[C@@H]21	ZINC001084976266	919010793	/nfs/dbraw/zinc/01/07/93/919010793.db2.gz	ZRCZLGAZZCBTQA-KDOFPFPSSA-N	1	0	350.422	1.895	20	30		FDEDRO
COc1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)c4cn[nH]n4)C[C@@H]32)cc1C#N	ZINC001084978796	919066565	/nfs/dbraw/zinc/06/65/65/919066565.db2.gz	UAHBKMNYVMEJRQ-PBHICJAKSA-N	1	0	366.425	1.422	20	30		FDEDRO
CC[NH+](CC)Cc1ccc(C(=O)NCCNC(=O)C2N=CC=CC2=O)o1	ZINC000732156420	919099072	/nfs/dbraw/zinc/09/90/72/919099072.db2.gz	MZXQKGMOIGHAJZ-FBMGVBCBSA-N	1	0	360.414	1.378	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnc4c(c3)c(C)nn4C)C[C@@H]21	ZINC001085002434	919487824	/nfs/dbraw/zinc/48/78/24/919487824.db2.gz	GEAQULJLGIWPRT-QAPCUYQASA-N	1	0	351.454	1.836	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N(C)C4CC4)[C@H]3C2)c1	ZINC001085027788	919812376	/nfs/dbraw/zinc/81/23/76/919812376.db2.gz	NXMPHNFXRANVTO-APWZRJJASA-N	1	0	366.465	1.220	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CCC(=O)N4)C[C@@H]32)c1	ZINC001085078939	920547991	/nfs/dbraw/zinc/54/79/91/920547991.db2.gz	WUYKASBRXQOWGM-SQNIBIBYSA-N	1	0	352.438	1.260	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(CNC(N)=O)cc3)C[C@@H]21	ZINC001085090239	920741524	/nfs/dbraw/zinc/74/15/24/920741524.db2.gz	ODQLPUSFXVMZQJ-AEFFLSMTSA-N	1	0	356.470	1.967	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN(C(=O)CCC)C3)C[C@@H]21	ZINC001085099988	920907673	/nfs/dbraw/zinc/90/76/73/920907673.db2.gz	XDSJEOWLHBBPRV-QYZOEREBSA-N	1	0	359.514	1.971	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O	ZINC000733321072	920974231	/nfs/dbraw/zinc/97/42/31/920974231.db2.gz	LNEYINDQFOWFSJ-AWEZNQCLSA-N	1	0	353.344	1.540	20	30		FDEDRO
O=C(NCC[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1)C1N=CC=CC1=O	ZINC000733332780	920988897	/nfs/dbraw/zinc/98/88/97/920988897.db2.gz	AMOUOTFAXJYLGP-NRTINQSCSA-N	1	0	371.437	1.860	20	30		FDEDRO
CN1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001085159493	921883829	/nfs/dbraw/zinc/88/38/29/921883829.db2.gz	WSVCEGGIZKOQTD-GUDVDZBRSA-N	1	0	356.470	1.406	20	30		FDEDRO
Cn1ncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)c1N	ZINC001085178426	922025173	/nfs/dbraw/zinc/02/51/73/922025173.db2.gz	AUVOZUPZCNMVCR-IAGOWNOFSA-N	1	0	352.442	1.705	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc[nH]c2CC)C1=O	ZINC001085189062	922141671	/nfs/dbraw/zinc/14/16/71/922141671.db2.gz	KCBCPOTUZBMTRQ-KURKYZTESA-N	1	0	358.486	1.995	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2ccc(C#N)nn2)CC[N@@H+]1C	ZINC001066201643	922620787	/nfs/dbraw/zinc/62/07/87/922620787.db2.gz	FGZCHANODQYLAM-MLHJIOFPSA-N	1	0	368.485	1.648	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3c2nccnc2C#N)CC[N@@H+]1C	ZINC001066201923	922620971	/nfs/dbraw/zinc/62/09/71/922620971.db2.gz	HTJNQTUKWHQGCG-JHNDHUHGSA-N	1	0	354.458	1.258	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)CC(C)(C)C1=O	ZINC001085198810	922649754	/nfs/dbraw/zinc/64/97/54/922649754.db2.gz	LIZRGZYVBWAHFQ-CHWSQXEVSA-N	1	0	355.866	1.541	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CS(=O)(=O)C1	ZINC001085210062	922771448	/nfs/dbraw/zinc/77/14/48/922771448.db2.gz	QLLGKTHJYLCCMY-IAGOWNOFSA-N	1	0	361.467	1.120	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCCNC2=O)cc1	ZINC001085232842	923005563	/nfs/dbraw/zinc/00/55/63/923005563.db2.gz	AVNNIVWDYUYZSG-RCCFBDPRSA-N	1	0	354.454	1.601	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCCNC2=O)c1	ZINC001085233322	923008027	/nfs/dbraw/zinc/00/80/27/923008027.db2.gz	SEWUAHXGEUFRPL-KZNAEPCWSA-N	1	0	354.454	1.601	20	30		FDEDRO
C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)CCNC(=O)C1	ZINC001085242791	923123070	/nfs/dbraw/zinc/12/30/70/923123070.db2.gz	HPXDUEORHQRWPB-DBXWQHBBSA-N	1	0	368.481	1.992	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnc2c(c1)NC(=O)CO2	ZINC001085261449	923280227	/nfs/dbraw/zinc/28/02/27/923280227.db2.gz	NFESKSUPMRHJMA-CHWSQXEVSA-N	1	0	364.833	1.796	20	30		FDEDRO
C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)CNC(=O)C1	ZINC001085283538	923506958	/nfs/dbraw/zinc/50/69/58/923506958.db2.gz	RXUMPFHRFWHFEN-HLIPFELVSA-N	1	0	354.454	1.601	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCNC1=O	ZINC001085296237	923656819	/nfs/dbraw/zinc/65/68/19/923656819.db2.gz	UWNZLMCJLNJYOZ-BRWVUGGUSA-N	1	0	370.453	1.220	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2cccnc2C)C1=O	ZINC001085331088	923935986	/nfs/dbraw/zinc/93/59/86/923935986.db2.gz	SBHAAJKDOFUSMI-QRVBRYPASA-N	1	0	370.497	1.736	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCN(C)C2=O)cc1	ZINC001085356378	924159993	/nfs/dbraw/zinc/15/99/93/924159993.db2.gz	UAQUBBRGLGLMBU-QRVBRYPASA-N	1	0	369.465	1.560	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nccn2CC)nn1	ZINC001085358462	924169904	/nfs/dbraw/zinc/16/99/04/924169904.db2.gz	CIQBLNGIQCNLTG-HZPDHXFCSA-N	1	0	371.489	1.901	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccnc2C)nn1	ZINC001085357045	924184057	/nfs/dbraw/zinc/18/40/57/924184057.db2.gz	BCSURMFMXWZKON-IAGOWNOFSA-N	1	0	354.458	1.998	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(CO)cc2)nn1	ZINC001085357174	924185698	/nfs/dbraw/zinc/18/56/98/924185698.db2.gz	HPQUAVUBGHGKLW-QZTJIDSGSA-N	1	0	369.469	1.787	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cn(C[C@H]2CCOC2)nn1	ZINC001085378085	924343224	/nfs/dbraw/zinc/34/32/24/924343224.db2.gz	FVHYHRZWFMMEPI-RBSFLKMASA-N	1	0	367.881	1.698	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](CC)C(N)=O	ZINC001085388815	924401277	/nfs/dbraw/zinc/40/12/77/924401277.db2.gz	CRCOPIQDYWHDOU-RRFJBIMHSA-N	1	0	360.458	1.541	20	30		FDEDRO
CCN1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)C1	ZINC001085429238	924642358	/nfs/dbraw/zinc/64/23/58/924642358.db2.gz	LFFKHYPBESLUGH-VAMGGRTRSA-N	1	0	370.497	1.796	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2nnc(C)n2C1	ZINC001085430999	924663225	/nfs/dbraw/zinc/66/32/25/924663225.db2.gz	LGWWXICHKDLLOR-RBSFLKMASA-N	1	0	351.882	1.918	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2ccc3c(c2)OCCCO3)CC1	ZINC000735937934	924685110	/nfs/dbraw/zinc/68/51/10/924685110.db2.gz	PTFADZHONZBYLY-UHFFFAOYSA-N	1	0	372.421	1.675	20	30		FDEDRO
COc1ccc(C#N)cc1CN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001085604719	924969122	/nfs/dbraw/zinc/96/91/22/924969122.db2.gz	QDJQZHYEQBZPLL-AYOQOUSVSA-N	1	0	370.497	1.940	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)COc2cccnc2)[C@@H](n2ccnn2)C1	ZINC001129321788	925110489	/nfs/dbraw/zinc/11/04/89/925110489.db2.gz	PKVYQOGDNIDGCP-SJORKVTESA-N	1	0	356.430	1.060	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N1CC[NH+](CC2CCOCC2)CC1	ZINC000739916302	925322575	/nfs/dbraw/zinc/32/25/75/925322575.db2.gz	XHJVUIYRHGYRKO-IBGZPJMESA-N	1	0	357.454	1.817	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)CC1	ZINC000740736478	925419862	/nfs/dbraw/zinc/41/98/62/925419862.db2.gz	WAOWVVXVPBSMAS-UHFFFAOYSA-N	1	0	357.454	1.736	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)Cc2[nH]c(C(C)=O)c(C)c2C(=O)OC)CC1	ZINC000740737235	925421016	/nfs/dbraw/zinc/42/10/16/925421016.db2.gz	GWMWUICYZVSSQR-UHFFFAOYSA-N	1	0	373.453	1.459	20	30		FDEDRO
CC(C)C[N@H+](CCC#N)CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O	ZINC000740878621	925481727	/nfs/dbraw/zinc/48/17/27/925481727.db2.gz	PDOOVJBIPGBODG-UHFFFAOYSA-N	1	0	363.462	1.534	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(C#N)[nH]2)C1	ZINC001006284183	925942549	/nfs/dbraw/zinc/94/25/49/925942549.db2.gz	FTXMPKKRRGNLBY-WNOSKKOXSA-N	1	0	355.442	1.090	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)cc1	ZINC001086157188	926180527	/nfs/dbraw/zinc/18/05/27/926180527.db2.gz	IBJRMWPNUPRJFK-UHZRXMQZSA-N	1	0	369.465	1.594	20	30		FDEDRO
CCc1ccc(N=C2NC(=O)C(CC(=O)NCCC[NH+](C)C)S2)cc1	ZINC000743277054	926307553	/nfs/dbraw/zinc/30/75/53/926307553.db2.gz	HJZYTYRXSLIEEN-OAHLLOKOSA-N	1	0	362.499	1.926	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)NC)ccc2C)CC1	ZINC000743489954	926377579	/nfs/dbraw/zinc/37/75/79/926377579.db2.gz	NJKBZBJREGGSKV-UHFFFAOYSA-N	1	0	363.483	1.121	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)Cn2nc(-c3ccccc3)oc2=O)CC1	ZINC000743490666	926378181	/nfs/dbraw/zinc/37/81/81/926378181.db2.gz	STHLAMFGHXIJGI-UHFFFAOYSA-N	1	0	354.410	1.107	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(NC(=O)OC)cc2)CC1	ZINC000743947231	926523878	/nfs/dbraw/zinc/52/38/78/926523878.db2.gz	UTZVJOJGLLVUIK-UHFFFAOYSA-N	1	0	360.414	1.570	20	30		FDEDRO
C#CC[N@@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)C1CCCCC1	ZINC000744213839	926602419	/nfs/dbraw/zinc/60/24/19/926602419.db2.gz	MSOJVQDRMCFKNV-UHFFFAOYSA-N	1	0	357.458	1.092	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCn2nc(C)nc2C)C1	ZINC001086369163	926862563	/nfs/dbraw/zinc/86/25/63/926862563.db2.gz	TZYMMZGAUMRFKN-TVFCKZIOSA-N	1	0	361.490	1.361	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@H]2COCCN2c2cccc(F)c2C#N)CC[N@@H+]1C	ZINC001066527328	927139751	/nfs/dbraw/zinc/13/97/51/927139751.db2.gz	XJWHKUAHRDMCJM-QLFBSQMISA-N	1	0	360.433	1.359	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)[NH+]1CCCCCC1	ZINC000746353890	927899913	/nfs/dbraw/zinc/89/99/13/927899913.db2.gz	MVYIRYLTJHBGRF-MRXNPFEDSA-N	1	0	360.462	1.362	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NCCC[NH+](C(C)C)C(C)C)CC1	ZINC000746420143	927964494	/nfs/dbraw/zinc/96/44/94/927964494.db2.gz	CFQJBYMRHWNYIT-UHFFFAOYSA-N	1	0	350.507	1.666	20	30		FDEDRO
N#Cc1cc(Br)cc(-n2nnc(-c3cccc(C[NH3+])c3)n2)n1	ZINC001168883338	928163576	/nfs/dbraw/zinc/16/35/76/928163576.db2.gz	KHTWCECLIURSCY-UHFFFAOYSA-N	1	0	356.187	1.817	20	30		FDEDRO
C=CCN1CCN(C)C2(CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)C1=O	ZINC001169023568	928248381	/nfs/dbraw/zinc/24/83/81/928248381.db2.gz	PBTWTOHEGUQBRJ-CVEARBPZSA-N	1	0	350.463	1.226	20	30		FDEDRO
COc1cc2cc(C#N)c(-n3cncc3C[C@@H]([NH3+])CO)nc2cc1OC	ZINC001169071898	928261243	/nfs/dbraw/zinc/26/12/43/928261243.db2.gz	ORCIVEOMSNXJEP-CYBMUJFWSA-N	1	0	353.382	1.171	20	30		FDEDRO
N#Cc1ccc(Oc2nc(-n3cncc3C[C@@H]([NH3+])CO)ncc2F)cc1	ZINC001169072992	928263081	/nfs/dbraw/zinc/26/30/81/928263081.db2.gz	XNSPJGATOUTCLY-GFCCVEGCSA-N	1	0	354.345	1.327	20	30		FDEDRO
C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCCCC#N	ZINC001169172549	928338040	/nfs/dbraw/zinc/33/80/40/928338040.db2.gz	QCJULBRQWCGDHX-CQSZACIVSA-N	1	0	360.462	1.276	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2nc(C)oc2C)[C@@H](n2ccnn2)C1	ZINC001129342773	928870903	/nfs/dbraw/zinc/87/09/03/928870903.db2.gz	WYFSKYJXXGOODF-WQVCFCJDSA-N	1	0	358.446	1.893	20	30		FDEDRO
C=CCCC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CCO[C@H]3C3CC3)CC2=O)C1	ZINC001108555721	928910594	/nfs/dbraw/zinc/91/05/94/928910594.db2.gz	WVMTUYKQOPJIDF-WDYCEAGBSA-N	1	0	361.486	1.169	20	30		FDEDRO
C[NH+]1CCC(NC(=O)c2ccc(NC3=CC(=O)CC(C)(C)C3)nn2)CC1	ZINC001169947167	928972800	/nfs/dbraw/zinc/97/28/00/928972800.db2.gz	UQOIIXBOKPTREH-UHFFFAOYSA-N	1	0	357.458	1.986	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](Cc2cc(C(=O)OC)cc(C(=O)OC)c2)CC1	ZINC000766895517	928982085	/nfs/dbraw/zinc/98/20/85/928982085.db2.gz	KZPXDOVRZSGRPS-UHFFFAOYSA-N	1	0	372.421	1.221	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)NC[C@H]1CCC[N@H+]1CCOC)c1ccncc1	ZINC000804354435	929317854	/nfs/dbraw/zinc/31/78/54/929317854.db2.gz	KWPHTVFLHYVBSD-IAGOWNOFSA-N	1	0	360.458	1.042	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CCCC1	ZINC000769919558	929736542	/nfs/dbraw/zinc/73/65/42/929736542.db2.gz	HVPKHYCYLTVRLQ-CQSZACIVSA-N	1	0	368.478	1.671	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCNC(C)=O	ZINC001109633064	929969840	/nfs/dbraw/zinc/96/98/40/929969840.db2.gz	NFEHFZUOMVBLLS-RANZSIQMSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c(C)cc(C)[nH]c1=O)C2	ZINC001109636490	929987423	/nfs/dbraw/zinc/98/74/23/929987423.db2.gz	HTWXAUAFHQOAKB-NJAFHUGGSA-N	1	0	359.470	1.871	20	30		FDEDRO
C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCCNc1ccc(C#N)cn1	ZINC000745529776	930016343	/nfs/dbraw/zinc/01/63/43/930016343.db2.gz	RGFDJVIOZXPOEG-MRXNPFEDSA-N	1	0	360.462	1.117	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CCS)C[C@H]1C(=O)N1CCSC1	ZINC001170014686	930040909	/nfs/dbraw/zinc/04/09/09/930040909.db2.gz	PUGAGPBTRALJDW-RYUDHWBXSA-N	1	0	361.533	1.417	20	30		FDEDRO
C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCN2C(=O)CNC2=O)CC1	ZINC001109681746	930121859	/nfs/dbraw/zinc/12/18/59/930121859.db2.gz	GQWWXYPEOKYPTK-PMPSAXMXSA-N	1	0	374.485	1.396	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)N(C)C	ZINC001109678822	930136279	/nfs/dbraw/zinc/13/62/79/930136279.db2.gz	IYBGCJIWENSNIU-MUQADHOPSA-N	1	0	371.547	1.592	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](O)COCCOC)C1	ZINC001109696443	930138914	/nfs/dbraw/zinc/13/89/14/930138914.db2.gz	AZDIJALNSJBRQE-QZWWFDLISA-N	1	0	352.475	1.088	20	30		FDEDRO
COC(=O)C[C@@]1([NH2+]CCC(=O)Nc2sccc2C#N)CCCOC1	ZINC000770691929	930204280	/nfs/dbraw/zinc/20/42/80/930204280.db2.gz	LMUQPKKRAKSNHP-INIZCTEOSA-N	1	0	351.428	1.650	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)c1cccnc1)C2	ZINC001109746753	930312935	/nfs/dbraw/zinc/31/29/35/930312935.db2.gz	LGRKAMMVRYHNHN-BGTYHANMSA-N	1	0	356.470	1.888	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C2	ZINC001109772032	930379436	/nfs/dbraw/zinc/37/94/36/930379436.db2.gz	DLVOOANEYLHQOG-PMPSAXMXSA-N	1	0	374.551	1.074	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cccn1	ZINC001109804158	930493953	/nfs/dbraw/zinc/49/39/53/930493953.db2.gz	FJHKNUGUWMHGSG-XDNAFOTISA-N	1	0	359.474	1.076	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccnn1C	ZINC001109804588	930495747	/nfs/dbraw/zinc/49/57/47/930495747.db2.gz	VCNWFUQUGHFOOY-HCXYKTFWSA-N	1	0	373.501	1.155	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nnn(C)c1C(F)(F)F)C2	ZINC001109811932	930509125	/nfs/dbraw/zinc/50/91/25/930509125.db2.gz	WYSUPCKJUVQWEJ-WOPDTQHZSA-N	1	0	373.379	1.372	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(F)cc1OCC#N	ZINC000771180110	930516169	/nfs/dbraw/zinc/51/61/69/930516169.db2.gz	QULCDIANPFJCHF-CQSZACIVSA-N	1	0	363.437	1.876	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]ncc1Br)C2	ZINC001109855318	930606971	/nfs/dbraw/zinc/60/69/71/930606971.db2.gz	ZCQIPFPVUJLNGC-WXHSDQCUSA-N	1	0	369.263	1.710	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn3nccc3nc1C)C2	ZINC001109904706	930723314	/nfs/dbraw/zinc/72/33/14/930723314.db2.gz	ZGCFWJIOORQERO-PVAVHDDUSA-N	1	0	355.442	1.575	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCOC1CCOCC1)C2	ZINC001109962291	930895992	/nfs/dbraw/zinc/89/59/92/930895992.db2.gz	UMJJUROHWCWSMV-NEWSRXKRSA-N	1	0	366.502	1.886	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(NC(=O)NC)c1)C2	ZINC001109977385	930935903	/nfs/dbraw/zinc/93/59/03/930935903.db2.gz	HICOEXUBJXXDDL-SQNIBIBYSA-N	1	0	372.469	1.976	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2ccc(OC)c(OC)c2)CC1	ZINC000772114150	931081861	/nfs/dbraw/zinc/08/18/61/931081861.db2.gz	VYLGOFCWLJZQEL-UHFFFAOYSA-N	1	0	360.410	1.531	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@]1(C)CCCS1(=O)=O)C2	ZINC001112544155	931415597	/nfs/dbraw/zinc/41/55/97/931415597.db2.gz	QVOXTBRYVCQHHO-SZMVWBNQSA-N	1	0	352.500	1.195	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@]1(C)CCCS1(=O)=O)C2	ZINC001112544154	931415796	/nfs/dbraw/zinc/41/57/96/931415796.db2.gz	QVOXTBRYVCQHHO-JQHSSLGASA-N	1	0	352.500	1.195	20	30		FDEDRO
CC(C)CC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1	ZINC001112559773	931565735	/nfs/dbraw/zinc/56/57/35/931565735.db2.gz	OXFWWNSFVFARST-JXFKEZNVSA-N	1	0	362.518	1.917	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc3c([nH]1)CCC3)C2	ZINC001112561174	931586902	/nfs/dbraw/zinc/58/69/02/931586902.db2.gz	KOPATDAWHHZMDZ-KKSFZXQISA-N	1	0	370.497	1.638	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(N3CCCC3)nn1)C2	ZINC001112562022	931592650	/nfs/dbraw/zinc/59/26/50/931592650.db2.gz	DQYUOHSPZJRWFM-UWJYYQICSA-N	1	0	367.497	1.932	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C)c(CC)o1)C2	ZINC001112562496	931593271	/nfs/dbraw/zinc/59/32/71/931593271.db2.gz	ZSXXVVWEXRPLBX-KKSFZXQISA-N	1	0	371.481	1.732	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COc1ccsc1)C2	ZINC001112563574	931603639	/nfs/dbraw/zinc/60/36/39/931603639.db2.gz	BUUCVLHHNHFZNU-LPHOPBHVSA-N	1	0	362.495	1.995	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc3c(c1)C(=O)NC3=O)C2	ZINC001112565079	931610782	/nfs/dbraw/zinc/61/07/82/931610782.db2.gz	JISRJUQEXCLQKW-XOBRGWDASA-N	1	0	353.422	1.588	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC#CCOC)C2)nc1	ZINC001112565484	931613830	/nfs/dbraw/zinc/61/38/30/931613830.db2.gz	FGSMKLGAXKHMIS-RXVVDRJESA-N	1	0	351.450	1.545	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCn3cccn3)C2)nc1	ZINC001112565603	931614396	/nfs/dbraw/zinc/61/43/96/931614396.db2.gz	KCSXYGFPEFAUNH-RXVVDRJESA-N	1	0	363.465	1.792	20	30		FDEDRO
COc1ccccc1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1	ZINC001112568684	931632553	/nfs/dbraw/zinc/63/25/53/931632553.db2.gz	HFMJIEXLDDWQDF-YWZLYKJASA-N	1	0	370.453	1.167	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc3c(cn1)nc[nH]c3=O)C2	ZINC001112570882	931652436	/nfs/dbraw/zinc/65/24/36/931652436.db2.gz	UNCLAGVAJRIDJH-XOBRGWDASA-N	1	0	365.437	1.586	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c(C)nn(C)c1F)C2	ZINC001112571070	931653691	/nfs/dbraw/zinc/65/36/91/931653691.db2.gz	CYJVFXCFGUEJCW-KXBFYZLASA-N	1	0	362.449	1.349	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC(=O)N1C)C2	ZINC001112571767	931656164	/nfs/dbraw/zinc/65/61/64/931656164.db2.gz	MMJVGFGKIHRDMD-QKLQHJQFSA-N	1	0	363.502	1.418	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(F)c(S(C)(=O)=O)c1	ZINC000785955543	931671422	/nfs/dbraw/zinc/67/14/22/931671422.db2.gz	LOPWLZQZSJYUBR-UHFFFAOYSA-N	1	0	355.435	1.537	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCN1C(=O)CNC1=O)C2	ZINC001112576651	931714463	/nfs/dbraw/zinc/71/44/63/931714463.db2.gz	ZSHNCARVYOOHAE-KXBFYZLASA-N	1	0	362.474	1.113	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)c1ccccc1F)C2	ZINC001112578576	931734535	/nfs/dbraw/zinc/73/45/35/931734535.db2.gz	VJUMPWULXCRFEI-YWZLYKJASA-N	1	0	359.445	1.960	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O)[NH+]1CCCCC1	ZINC001090439204	931746455	/nfs/dbraw/zinc/74/64/55/931746455.db2.gz	ARQVOZAMLXAVDQ-GUDVDZBRSA-N	1	0	371.485	1.129	20	30		FDEDRO
C[C@@H](OC(=O)c1ccc(C#N)[nH]1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000786093554	931746712	/nfs/dbraw/zinc/74/67/12/931746712.db2.gz	YBPFZJPGYTUKLB-RHSMWYFYSA-N	1	0	366.421	1.822	20	30		FDEDRO
C[C@](C#N)(NC(=O)COC(=O)CC1([NH+]2CCOCC2)CCCC1)C1CC1	ZINC000786095332	931747222	/nfs/dbraw/zinc/74/72/22/931747222.db2.gz	COCDCOWVODDIQH-GOSISDBHSA-N	1	0	363.458	1.373	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)CS(C)(=O)=O)C2	ZINC001112587109	931781391	/nfs/dbraw/zinc/78/13/91/931781391.db2.gz	HKPMSCXVUOWNOT-NOLJZWGESA-N	1	0	362.923	1.638	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)NCc1ccco1)C2	ZINC001112585120	931789599	/nfs/dbraw/zinc/78/95/99/931789599.db2.gz	AVBLOGZKNSPUFS-KXBFYZLASA-N	1	0	360.458	1.483	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)C(=O)NC2CC2)C1	ZINC001112589133	931801780	/nfs/dbraw/zinc/80/17/80/931801780.db2.gz	MNNOKUHWPBIRJX-FTRWYGJKSA-N	1	0	363.502	1.465	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COC[C@@H]1CCCO1)C2	ZINC001112592855	931875952	/nfs/dbraw/zinc/87/59/52/931875952.db2.gz	LMEYVRBPAHUVMJ-BJLQDIEVSA-N	1	0	364.486	1.050	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CC[N@@H+]1CCc2ccccc2C1	ZINC000786822371	932054022	/nfs/dbraw/zinc/05/40/22/932054022.db2.gz	XMDJOTXEJKVBEL-CQSZACIVSA-N	1	0	359.426	1.378	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1	ZINC000787908142	932460518	/nfs/dbraw/zinc/46/05/18/932460518.db2.gz	CHTHBDGQIQDPMV-STQMWFEESA-N	1	0	374.323	1.886	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)OCCC[NH+]2CCCC2)c1	ZINC000787984493	932521245	/nfs/dbraw/zinc/52/12/45/932521245.db2.gz	VONYLDXHEKEOOQ-UHFFFAOYSA-N	1	0	350.440	1.241	20	30		FDEDRO
C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1	ZINC001113013519	932934595	/nfs/dbraw/zinc/93/45/95/932934595.db2.gz	FOPAUWUHPXHYAH-MCIONIFRSA-N	1	0	350.381	1.832	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NCC2CC[NH+](C3CC3)CC2)n1	ZINC000789248865	932967288	/nfs/dbraw/zinc/96/72/88/932967288.db2.gz	JAYYDGBHIYSLON-UHFFFAOYSA-N	1	0	373.501	1.549	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1	ZINC000746803458	933009797	/nfs/dbraw/zinc/00/97/97/933009797.db2.gz	MGLTXWUZDRSFGV-QGZVFWFLSA-N	1	0	369.465	1.827	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CN(C)CCO2)C1	ZINC001086580654	933279169	/nfs/dbraw/zinc/27/91/69/933279169.db2.gz	OEOCDHRMZQXIAY-XUVXKRRUSA-N	1	0	357.498	1.867	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2CN=NC2=O)C1	ZINC001086584300	933467351	/nfs/dbraw/zinc/46/73/51/933467351.db2.gz	PIBLKPXFBDQANS-DLBZAZTESA-N	1	0	355.442	1.534	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c1	ZINC000790967560	933804799	/nfs/dbraw/zinc/80/47/99/933804799.db2.gz	HZNUGMPXCAHWNK-QGZVFWFLSA-N	1	0	357.454	1.874	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2COCCN2CC)C1	ZINC001086595986	933926531	/nfs/dbraw/zinc/92/65/31/933926531.db2.gz	FFJPZIDSFMNKED-XUVXKRRUSA-N	1	0	357.498	1.867	20	30		FDEDRO
COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC3(C#N)CC[NH+](C)CC3)C2)c1	ZINC000791672139	934100101	/nfs/dbraw/zinc/10/01/01/934100101.db2.gz	PNABPNFLKOXFMD-QGZVFWFLSA-N	1	0	372.425	1.301	20	30		FDEDRO
CC[NH+]1CCC(CNC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)CC1	ZINC000793816349	938324545	/nfs/dbraw/zinc/32/45/45/938324545.db2.gz	XUJPTCNEWNJWFN-UHFFFAOYSA-N	1	0	358.442	1.031	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C(=O)N2CCC[C@H]2CC)C1	ZINC001086618638	938349492	/nfs/dbraw/zinc/34/94/92/938349492.db2.gz	CPDVJCSWGUYKSV-HSALFYBXSA-N	1	0	367.493	1.995	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CCc2ccc(CC)cc2)[C@@H](n2ccnn2)C1	ZINC001129428231	938414235	/nfs/dbraw/zinc/41/42/35/938414235.db2.gz	VCAYFVFGGBIVGB-UXHICEINSA-N	1	0	365.481	1.838	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc3n[nH]nc3c2)[C@@H](n2ccnn2)C1	ZINC001129433696	938423298	/nfs/dbraw/zinc/42/32/98/938423298.db2.gz	NDTZMQCRVILGQZ-SJORKVTESA-N	1	0	366.429	1.171	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2nc(C)cc2C)[C@@H](n2ccnn2)C1	ZINC001129433627	938423474	/nfs/dbraw/zinc/42/34/74/938423474.db2.gz	JIEIJPNIGMDAJD-KURKYZTESA-N	1	0	369.473	1.108	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H](C)OCCOCC)[C@@H](n2ccnn2)C1	ZINC001129470133	938429818	/nfs/dbraw/zinc/42/98/18/938429818.db2.gz	DDVNVJYFOISMAY-BBWFWOEESA-N	1	0	365.478	1.027	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@@H]1n1ccnn1	ZINC001129482181	938434268	/nfs/dbraw/zinc/43/42/68/938434268.db2.gz	RRQOHQQUWYWGFJ-YUELXQCFSA-N	1	0	369.416	1.256	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001129481079	938434323	/nfs/dbraw/zinc/43/43/23/938434323.db2.gz	FQZHCPUGDOFVEE-UHOSZYNNSA-N	1	0	369.469	1.453	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C2CCOCC2)[C@@H](n2ccnn2)C1	ZINC001129490700	938442279	/nfs/dbraw/zinc/44/22/79/938442279.db2.gz	KNXRMHOTXSKPDO-JQHSSLGASA-N	1	0	361.490	1.649	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)C2(C(F)(F)F)CCCC2)[C@@H](n2ccnn2)C1	ZINC001129490685	938442326	/nfs/dbraw/zinc/44/23/26/938442326.db2.gz	JXNFTPLWYOBIMY-KGLIPLIRSA-N	1	0	369.391	1.766	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2C(=O)CCC2=O)C1	ZINC001086623271	938449457	/nfs/dbraw/zinc/44/94/57/938449457.db2.gz	UZWULZJCLZSIKB-DLBZAZTESA-N	1	0	355.438	1.296	20	30		FDEDRO
CSCCC(=O)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129553327	938452329	/nfs/dbraw/zinc/45/23/29/938452329.db2.gz	ZOGVHYRKKCBFGC-MSOLQXFVSA-N	1	0	369.494	1.424	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2ccnn2C)C[C@@H]1n1ccnn1	ZINC001129663940	938477640	/nfs/dbraw/zinc/47/76/40/938477640.db2.gz	AECTZNFHWMUEAG-WBVHZDCISA-N	1	0	357.462	1.413	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CCOC(C)C)[C@@H](n2ccnn2)C1	ZINC001129656352	938483135	/nfs/dbraw/zinc/48/31/35/938483135.db2.gz	PJLMTWTUCBXOLD-ZACQAIPSSA-N	1	0	365.478	1.026	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2COCCN2C(C)=O)C1	ZINC001086624573	938483724	/nfs/dbraw/zinc/48/37/24/938483724.db2.gz	KROSFVBLPOWQSQ-ZCNNSNEGSA-N	1	0	371.481	1.394	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2nccnc2N)C[C@@H]1n1ccnn1	ZINC001129690387	938486152	/nfs/dbraw/zinc/48/61/52/938486152.db2.gz	ITYVENDITZJVME-CABCVRRESA-N	1	0	370.461	1.052	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)COC)C[C@@H]1n1ccnn1	ZINC001129677811	938491111	/nfs/dbraw/zinc/49/11/11/938491111.db2.gz	ODMIQDQGBWWNEL-ZACQAIPSSA-N	1	0	351.495	1.873	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1	ZINC001129757146	938502154	/nfs/dbraw/zinc/50/21/54/938502154.db2.gz	WZBRMLHELTYMOB-MSOLQXFVSA-N	1	0	352.442	1.408	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H]([NH2+]CCCC2CCC2)[C@@H](n2ccnn2)C1	ZINC001129796063	938509428	/nfs/dbraw/zinc/50/94/28/938509428.db2.gz	ZLESYTOWSBICQM-ZIFCJYIRSA-N	1	0	361.490	1.527	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1=O	ZINC001129779541	938514244	/nfs/dbraw/zinc/51/42/44/938514244.db2.gz	IZQHUGSLWQLRDC-QYZOEREBSA-N	1	0	371.481	1.647	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H]([NH2+]CCOc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129822029	938521824	/nfs/dbraw/zinc/52/18/24/938521824.db2.gz	BDXWILQFCWSOOH-MOPGFXCFSA-N	1	0	365.437	1.112	20	30		FDEDRO
Cc1ccc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@@H]2n2ccnn2)cc1F	ZINC001129822192	938521861	/nfs/dbraw/zinc/52/18/61/938521861.db2.gz	JKUFMHMXYTVOQF-MOPGFXCFSA-N	1	0	369.444	1.927	20	30		FDEDRO
Cc1cc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@@H]2n2ccnn2)cs1	ZINC001129822121	938521966	/nfs/dbraw/zinc/52/19/66/938521966.db2.gz	GOENXJZCKUZLJU-SJORKVTESA-N	1	0	357.483	1.849	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H]([NH2+]CCCc2ccsc2)[C@@H](n2ccnn2)C1	ZINC001129824992	938522729	/nfs/dbraw/zinc/52/27/29/938522729.db2.gz	JTYDYXZFPYMUGZ-MSOLQXFVSA-N	1	0	371.510	1.973	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cn(C(C)(C)C)nc2C)C[C@@H]1n1ccnn1	ZINC001129830206	938523889	/nfs/dbraw/zinc/52/38/89/938523889.db2.gz	XKKZTAFRGAGISP-SJORKVTESA-N	1	0	369.473	1.217	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(CC(C)C)n2)C[C@@H]1n1ccnn1	ZINC001129850043	938527152	/nfs/dbraw/zinc/52/71/52/938527152.db2.gz	MBOQRSGNBMEJAT-CVEARBPZSA-N	1	0	357.462	1.431	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1	ZINC001086625679	938533221	/nfs/dbraw/zinc/53/32/21/938533221.db2.gz	QWLUVWGHFQVABE-DLBZAZTESA-N	1	0	354.454	1.498	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H]([NH2+]Cc2scnc2C)[C@@H](n2ccnn2)C1	ZINC001129884415	938538812	/nfs/dbraw/zinc/53/88/12/938538812.db2.gz	MXPKBPVHTBNREB-CABCVRRESA-N	1	0	360.487	1.941	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCOc2cccc(F)c2)C[C@@H]1n1ccnn1	ZINC001129884862	938539257	/nfs/dbraw/zinc/53/92/57/938539257.db2.gz	UPSSIDHDTPJADV-MSOLQXFVSA-N	1	0	371.416	1.251	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)CCc2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001129892267	938542924	/nfs/dbraw/zinc/54/29/24/938542924.db2.gz	OUCOUGQGINPMBQ-LZQZEXGQSA-N	1	0	369.444	1.661	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)CC(F)F)C[C@@H]1n1ccnn1	ZINC001129892242	938543013	/nfs/dbraw/zinc/54/30/13/938543013.db2.gz	ODCJTVLSTOKWGL-KFWWJZLASA-N	1	0	371.432	1.504	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]([NH2+]C[C@H](C)OC)[C@@H](n2ccnn2)C1	ZINC001129867684	938544300	/nfs/dbraw/zinc/54/43/00/938544300.db2.gz	WRKXFQQDNAZVNH-YUTCNCBUSA-N	1	0	355.870	1.433	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccoc2C(F)(F)F)C[C@@H]1n1ccnn1	ZINC001129872079	938545054	/nfs/dbraw/zinc/54/50/54/938545054.db2.gz	RPLDJDIJFILBIY-OLZOCXBDSA-N	1	0	367.331	1.569	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H]([NH2+]CC(=C)C)[C@@H](n3ccnn3)C2)CCOCC1	ZINC001129894690	938555959	/nfs/dbraw/zinc/55/59/59/938555959.db2.gz	PORADYKLYBLSBO-SJORKVTESA-N	1	0	357.458	1.016	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cccc(CC)n2)C[C@@H]1n1ccnn1	ZINC001129897649	938558193	/nfs/dbraw/zinc/55/81/93/938558193.db2.gz	FKWCGEPJEFGBEO-MSOLQXFVSA-N	1	0	354.458	1.857	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)noc2C(C)C)C[C@@H]1n1ccnn1	ZINC001129899622	938559148	/nfs/dbraw/zinc/55/91/48/938559148.db2.gz	BYMSCIFXHGLNAE-CABCVRRESA-N	1	0	356.430	1.377	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)noc2C(C)C)C[C@@H]1n1ccnn1	ZINC001129899729	938559533	/nfs/dbraw/zinc/55/95/33/938559533.db2.gz	JHHYVZUXVHLKNK-CABCVRRESA-N	1	0	356.430	1.377	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)n2ccnc2)C[C@@H]1n1ccnn1	ZINC001129902298	938560889	/nfs/dbraw/zinc/56/08/89/938560889.db2.gz	CTVIQSDUMVZTHN-KURKYZTESA-N	1	0	371.489	1.680	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2nc3c(s2)CCC3)C[C@@H]1n1ccnn1	ZINC001129932054	938562358	/nfs/dbraw/zinc/56/23/58/938562358.db2.gz	KSTUHCUSXLPIJE-KGLIPLIRSA-N	1	0	358.471	1.455	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2conc2C(F)(F)F)C[C@@H]1n1ccnn1	ZINC001129932471	938562605	/nfs/dbraw/zinc/56/26/05/938562605.db2.gz	ZULQOENOLICIMA-NEPJUHHUSA-N	1	0	370.335	1.516	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)nc2C)C[C@@H]1n1ccnn1	ZINC001129938236	938564904	/nfs/dbraw/zinc/56/49/04/938564904.db2.gz	SKSMCFGBVNXIPK-SJORKVTESA-N	1	0	352.442	1.277	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2cccc(C3CC3)c2)C[C@@H]1n1ccnn1	ZINC001129941084	938566356	/nfs/dbraw/zinc/56/63/56/938566356.db2.gz	IVVDIIXQYSTNCS-UXHICEINSA-N	1	0	363.465	1.763	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cccnc2)C[C@@H]1n1ccnn1	ZINC001129918724	938567278	/nfs/dbraw/zinc/56/72/78/938567278.db2.gz	HCAVVHNBRCUVNZ-SJORKVTESA-N	1	0	352.442	1.016	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2CC)C[C@@H]1n1ccnn1	ZINC001129920959	938568394	/nfs/dbraw/zinc/56/83/94/938568394.db2.gz	HTDDGRFKKGMGKR-WBVHZDCISA-N	1	0	357.462	1.196	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000804760218	938569003	/nfs/dbraw/zinc/56/90/03/938569003.db2.gz	HUGIQPMZSAKICW-INIZCTEOSA-N	1	0	366.506	1.258	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ncnc3[nH]ccc32)C[C@@H]1n1ccnn1	ZINC001129923477	938569235	/nfs/dbraw/zinc/56/92/35/938569235.db2.gz	DYKPSMXOQDZAMJ-CABCVRRESA-N	1	0	366.429	1.123	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)nn2CC)C[C@@H]1n1ccnn1	ZINC001129925304	938570797	/nfs/dbraw/zinc/57/07/97/938570797.db2.gz	ZDGBXVJBWCOILH-AEFFLSMTSA-N	1	0	369.473	1.297	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)n(CC)c2C)C[C@@H]1n1ccnn1	ZINC001129928730	938572195	/nfs/dbraw/zinc/57/21/95/938572195.db2.gz	IOWOZRPIPQMTDF-MSOLQXFVSA-N	1	0	354.458	1.395	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(CCC)n[nH]2)C[C@@H]1n1ccnn1	ZINC001129954180	938575795	/nfs/dbraw/zinc/57/57/95/938575795.db2.gz	ASZQEPIAMAQZNG-SJORKVTESA-N	1	0	357.462	1.575	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](OCC)C2CCCC2)C[C@@H]1n1ccnn1	ZINC001129956299	938576854	/nfs/dbraw/zinc/57/68/54/938576854.db2.gz	CAZNIWVPCJIWCD-SQNIBIBYSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2ccn(C(C)C)n2)C[C@@H]1n1ccnn1	ZINC001129943258	938580118	/nfs/dbraw/zinc/58/01/18/938580118.db2.gz	URUNUZBSCQVHPT-MSOLQXFVSA-N	1	0	371.489	1.606	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cn(C(C)C)cn2)C[C@@H]1n1ccnn1	ZINC001129945610	938581093	/nfs/dbraw/zinc/58/10/93/938581093.db2.gz	SPKHWKZYIOLLMS-WBVHZDCISA-N	1	0	357.462	1.677	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnc(C)n2C)C[C@@H]1n1ccnn1	ZINC001129980703	938596050	/nfs/dbraw/zinc/59/60/50/938596050.db2.gz	UYBMZDYHZQUVSV-UNEWFSDZSA-N	1	0	357.462	1.330	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(F)c(F)c2F)C[C@@H]1n1ccnn1	ZINC001129983239	938598038	/nfs/dbraw/zinc/59/80/38/938598038.db2.gz	SYYVMBSFSSEVCW-KGLIPLIRSA-N	1	0	365.359	1.927	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2(C(F)F)CCCC2)C[C@@H]1n1ccnn1	ZINC001129976535	938600713	/nfs/dbraw/zinc/60/07/13/938600713.db2.gz	PWSRDVYYQQWXJZ-KGLIPLIRSA-N	1	0	351.401	1.468	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]([NH2+]CCC(C)(C)C)[C@@H](n3ccnn3)C2)c1	ZINC001129997189	938605294	/nfs/dbraw/zinc/60/52/94/938605294.db2.gz	CHPWUGSGDGOQMT-MSOLQXFVSA-N	1	0	366.469	1.746	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]([NH2+]CCn2nc(C)cc2C)[C@@H](n2ccnn2)C1	ZINC001129986476	938609778	/nfs/dbraw/zinc/60/97/78/938609778.db2.gz	BCUKTLYJZIUKEK-MSOLQXFVSA-N	1	0	371.489	1.489	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]([NH2+]Cc2cccnc2C)[C@@H](n2ccnn2)C1	ZINC001129986810	938610071	/nfs/dbraw/zinc/61/00/71/938610071.db2.gz	NGUDXMCOHIKGSC-MSOLQXFVSA-N	1	0	354.458	1.880	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)n[nH]2)C[C@@H]1n1ccnn1	ZINC001130015220	938616570	/nfs/dbraw/zinc/61/65/70/938616570.db2.gz	NCVBFRXSCUTNAQ-SJORKVTESA-N	1	0	357.462	1.746	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccnc2)C[C@@H]1n1ccnn1	ZINC001130015271	938616599	/nfs/dbraw/zinc/61/65/99/938616599.db2.gz	PSAUKRMZJXVJAN-MANSERQUSA-N	1	0	366.469	1.785	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C[C@@H]1n1ccnn1	ZINC001130017550	938618039	/nfs/dbraw/zinc/61/80/39/938618039.db2.gz	MTHLTYLZOZSPEA-LFDJNIOPSA-N	1	0	355.486	1.859	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)C[C@@H]1n1ccnn1	ZINC001130020315	938618866	/nfs/dbraw/zinc/61/88/66/938618866.db2.gz	ACPBVTPGOVNBSN-SJORKVTESA-N	1	0	355.446	1.500	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(CC)cc2)C[C@@H]1n1ccnn1	ZINC001130022579	938620665	/nfs/dbraw/zinc/62/06/65/938620665.db2.gz	FEMFEYFVYOYNGH-MOPGFXCFSA-N	1	0	351.454	1.448	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCOC2)[C@@H](n2ccnn2)C1	ZINC001130023043	938621177	/nfs/dbraw/zinc/62/11/77/938621177.db2.gz	SQLUQSKCVYYHLV-ZACQAIPSSA-N	1	0	361.490	1.649	20	30		FDEDRO
CC(C)[C@@H](C)C(=O)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001130026114	938628843	/nfs/dbraw/zinc/62/88/43/938628843.db2.gz	BHGAJMZQZWHYKI-RLLQIKCJSA-N	1	0	365.481	1.963	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2scnc2C(C)C)C[C@@H]1n1ccnn1	ZINC001130030649	938632110	/nfs/dbraw/zinc/63/21/10/938632110.db2.gz	KSVFFKUVXQSUES-KGLIPLIRSA-N	1	0	358.471	1.537	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(CCC)[nH]c(=O)c2)C[C@@H]1n1ccnn1	ZINC001130030637	938632150	/nfs/dbraw/zinc/63/21/50/938632150.db2.gz	KIIGNCQPKUMXFA-SJORKVTESA-N	1	0	370.457	1.563	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c(C)noc2C)C[C@@H]1n1ccnn1	ZINC001130030745	938632196	/nfs/dbraw/zinc/63/21/96/938632196.db2.gz	PGDVPJCZULZMTO-XWIAVFTESA-N	1	0	370.457	1.127	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2oc(C(C)C)nc2C)C[C@@H]1n1ccnn1	ZINC001130032562	938633358	/nfs/dbraw/zinc/63/33/58/938633358.db2.gz	HMGZVDOQPDNMLX-CABCVRRESA-N	1	0	358.446	1.929	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(CC)CC)no2)C[C@@H]1n1ccnn1	ZINC001130032835	938633652	/nfs/dbraw/zinc/63/36/52/938633652.db2.gz	NXLUWRWZUMFOHS-SJORKVTESA-N	1	0	370.457	1.848	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCC(C)C)[C@@H](n2ccnn2)C1	ZINC001130038207	938636351	/nfs/dbraw/zinc/63/63/51/938636351.db2.gz	RVYPRLJXXRGRIE-MHORFTMASA-N	1	0	361.490	1.647	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2ccccc2F)C[C@@H]1n1ccnn1	ZINC001130044144	938643374	/nfs/dbraw/zinc/64/33/74/938643374.db2.gz	SKUUDQVFEWTMTE-OLMNPRSZSA-N	1	0	355.417	1.586	20	30		FDEDRO
C#CCCCS(=O)(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1	ZINC000805047843	938651576	/nfs/dbraw/zinc/65/15/76/938651576.db2.gz	DDLKAGWLUBSFQG-RTBURBONSA-N	1	0	369.575	1.999	20	30		FDEDRO
C#CCCCS(=O)(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1	ZINC000805047838	938651661	/nfs/dbraw/zinc/65/16/61/938651661.db2.gz	DDLKAGWLUBSFQG-MOPGFXCFSA-N	1	0	369.575	1.999	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cnn(C)c2)C[C@@H]1n1ccnn1	ZINC001130066601	938655333	/nfs/dbraw/zinc/65/53/33/938655333.db2.gz	GSXNMHMWVHJMKQ-SJORKVTESA-N	1	0	371.489	1.297	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2C2CC2)C[C@@H]1n1ccnn1	ZINC001130066581	938655362	/nfs/dbraw/zinc/65/53/62/938655362.db2.gz	GIHWAANGVFGJCA-CVEARBPZSA-N	1	0	355.446	1.500	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2oc(CCC)nc2C)C[C@@H]1n1ccnn1	ZINC001130086312	938667626	/nfs/dbraw/zinc/66/76/26/938667626.db2.gz	VRJSLKOKTKLXPE-CABCVRRESA-N	1	0	356.430	1.206	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn(C(C)C)c2C)C[C@@H]1n1ccnn1	ZINC001130079345	938672482	/nfs/dbraw/zinc/67/24/82/938672482.db2.gz	GAIMUVXLTGKJMF-SJORKVTESA-N	1	0	357.462	1.595	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2ccccn2)C[C@@H]1n1ccnn1	ZINC001130088849	938675192	/nfs/dbraw/zinc/67/51/92/938675192.db2.gz	LOIPAVNCLUNLEJ-OAGGEKHMSA-N	1	0	356.430	1.058	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)cc2OC)C[C@@H]1n1ccnn1	ZINC001130094382	938679133	/nfs/dbraw/zinc/67/91/33/938679133.db2.gz	IFCWRQFOQUAKET-SJORKVTESA-N	1	0	355.442	1.827	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc(C3CC3)s2)C[C@@H]1n1ccnn1	ZINC001130099513	938682139	/nfs/dbraw/zinc/68/21/39/938682139.db2.gz	GKIFPOHDXZAKEX-KGLIPLIRSA-N	1	0	358.471	1.843	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]([NH2+]CCC(=C)C)[C@@H](n2ccnn2)C1	ZINC001130109593	938688481	/nfs/dbraw/zinc/68/84/81/938688481.db2.gz	CDRUTTPLMJGFII-UXHICEINSA-N	1	0	363.465	1.810	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(OCC)cc2)C[C@@H]1n1ccnn1	ZINC001130109947	938688706	/nfs/dbraw/zinc/68/87/06/938688706.db2.gz	MJLJGCAPBWLQNR-MSOLQXFVSA-N	1	0	353.426	1.355	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]([NH2+]C[C@@H](F)CC)[C@@H](n2ccnn2)C1	ZINC001130110094	938688929	/nfs/dbraw/zinc/68/89/29/938688929.db2.gz	UMRBUKDHIJQEMK-OTWHNJEPSA-N	1	0	369.444	1.592	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2ccc(OC)cc2)C[C@@H]1n1ccnn1	ZINC001130112719	938692305	/nfs/dbraw/zinc/69/23/05/938692305.db2.gz	NUCKSVBDXAGJBG-MOPGFXCFSA-N	1	0	369.469	1.837	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C2(c3ccccc3)CC2)C[C@@H]1n1ccnn1	ZINC001130115039	938694248	/nfs/dbraw/zinc/69/42/48/938694248.db2.gz	QEUHQLMYIOMVAB-MSOLQXFVSA-N	1	0	351.454	1.928	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc3c([nH]c2=O)CCC3)C[C@@H]1n1ccnn1	ZINC001130123101	938704989	/nfs/dbraw/zinc/70/49/89/938704989.db2.gz	GNPVIHLACAWROD-SJORKVTESA-N	1	0	368.441	1.099	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130132611	938707430	/nfs/dbraw/zinc/70/74/30/938707430.db2.gz	IAKYOHXIYHUQCK-QRQLOZEOSA-N	1	0	351.454	1.522	20	30		FDEDRO
CCOCC[NH2+][C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130134030	938708872	/nfs/dbraw/zinc/70/88/72/938708872.db2.gz	OXSKFZMGGABHCV-MOPGFXCFSA-N	1	0	367.453	1.098	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001130153343	938717174	/nfs/dbraw/zinc/71/71/74/938717174.db2.gz	KVWBNRYKCPJZRO-IPELMVKDSA-N	1	0	369.444	1.661	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)c2nonc2C)C[C@@H]1n1ccnn1	ZINC001130155633	938718631	/nfs/dbraw/zinc/71/86/31/938718631.db2.gz	TUGODDNMFNIIRA-CABCVRRESA-N	1	0	361.450	1.595	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)CCOc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130158789	938720105	/nfs/dbraw/zinc/72/01/05/938720105.db2.gz	RKMLVYDYAJAHHK-QRQLOZEOSA-N	1	0	367.453	1.358	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CSCCC)[nH]1	ZINC001130186668	938732286	/nfs/dbraw/zinc/73/22/86/938732286.db2.gz	JCPWUHHYOHAUAM-KBPBESRZSA-N	1	0	367.519	1.602	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)CC)n1	ZINC001130186464	938732440	/nfs/dbraw/zinc/73/24/40/938732440.db2.gz	DKBFIVAILADJOD-DRZSPHRISA-N	1	0	355.870	1.682	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CSC(C)C)[nH]1	ZINC001130190645	938735817	/nfs/dbraw/zinc/73/58/17/938735817.db2.gz	JDWNJKFJZUPEDQ-STQMWFEESA-N	1	0	353.492	1.211	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CC=CC2)n1	ZINC001130198614	938740766	/nfs/dbraw/zinc/74/07/66/938740766.db2.gz	RCQZSVFLZKOQCQ-KBPBESRZSA-N	1	0	365.865	1.602	20	30		FDEDRO
CC/C=C/CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)C#N)[nH]1	ZINC001130203207	938744934	/nfs/dbraw/zinc/74/49/34/938744934.db2.gz	SXQHULSSHWQXDQ-PINBIDLJSA-N	1	0	360.462	1.399	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC(C)(C)C2CC2)[nH]1	ZINC001130207679	938747030	/nfs/dbraw/zinc/74/70/30/938747030.db2.gz	LZYJBLRBQSEBRI-GJZGRUSLSA-N	1	0	361.490	1.895	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C#CC2CC2)n1	ZINC001130212960	938749985	/nfs/dbraw/zinc/74/99/85/938749985.db2.gz	MXUMKFPPWONGGN-KBPBESRZSA-N	1	0	363.849	1.049	20	30		FDEDRO
C[C@H](F)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C#CC2CC2)[nH]1	ZINC001130213113	938750431	/nfs/dbraw/zinc/75/04/31/938750431.db2.gz	UOXCDHRUPRCOBY-QEJZJMRPSA-N	1	0	363.437	1.045	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](CC)SC)n1	ZINC001130200839	938754503	/nfs/dbraw/zinc/75/45/03/938754503.db2.gz	YBRYHFNGKXGNKY-IHRRRGAJSA-N	1	0	365.503	1.048	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(F)=C2CCCC2)n1	ZINC001130202596	938755117	/nfs/dbraw/zinc/75/51/17/938755117.db2.gz	FHPARYOXACYDDR-KBPBESRZSA-N	1	0	361.421	1.314	20	30		FDEDRO
C[C@H](C#N)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCC(C)(C)C)[nH]1	ZINC001130202524	938755127	/nfs/dbraw/zinc/75/51/27/938755127.db2.gz	ALBAQFSKHPDUOG-RDBSUJKOSA-N	1	0	362.478	1.479	20	30		FDEDRO
C=CCOCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C(C)C)[nH]1	ZINC001130202780	938755393	/nfs/dbraw/zinc/75/53/93/938755393.db2.gz	KOMKTTQPEWTPRX-GJZGRUSLSA-N	1	0	365.478	1.274	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@]23C[C@H]2CCCC3)[nH]1	ZINC001130239862	938755874	/nfs/dbraw/zinc/75/58/74/938755874.db2.gz	AQTCJJXFQDVXRB-NARAOEGZSA-N	1	0	371.485	1.487	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccsn2)[nH]1	ZINC001130220850	938756451	/nfs/dbraw/zinc/75/64/51/938756451.db2.gz	OLKLHVMCKHONNR-AAEUAGOBSA-N	1	0	362.459	1.229	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)[nH]1	ZINC001130225242	938759865	/nfs/dbraw/zinc/75/98/65/938759865.db2.gz	YULHKKRENLADQR-ZIUCBDDQSA-N	1	0	359.474	1.505	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCOC)[nH]1	ZINC001130232694	938765145	/nfs/dbraw/zinc/76/51/45/938765145.db2.gz	NZQTWAACRFLFRV-KKUMJFAQSA-N	1	0	365.478	1.132	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCF)[nH]1	ZINC001130232413	938765203	/nfs/dbraw/zinc/76/52/03/938765203.db2.gz	GOYFUULKDKJVJB-KKUMJFAQSA-N	1	0	367.469	1.845	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C)CC=CC2)[nH]1	ZINC001130235017	938766081	/nfs/dbraw/zinc/76/60/81/938766081.db2.gz	RGJQYXXFSTVQAV-GJZGRUSLSA-N	1	0	359.474	1.815	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC23CCCC3)n1	ZINC001130244160	938770323	/nfs/dbraw/zinc/77/03/23/938770323.db2.gz	BYWHVFOQLPEAJF-XHSDSOJGSA-N	1	0	371.485	1.487	20	30		FDEDRO
C=CCO[C@H](C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCC)[nH]1	ZINC001130251096	938774250	/nfs/dbraw/zinc/77/42/50/938774250.db2.gz	AXUVQMNGAUQEHJ-ILXRZTDVSA-N	1	0	365.478	1.274	20	30		FDEDRO
CCOCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)C#N)CC1	ZINC001130281590	938779384	/nfs/dbraw/zinc/77/93/84/938779384.db2.gz	JQBBKPDNAVRENK-LESCRADOSA-N	1	0	364.490	1.048	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCC(F)(F)F)CC1	ZINC001130282470	938779988	/nfs/dbraw/zinc/77/99/88/938779988.db2.gz	USPNJNGMOGZBOT-CJNGLKHVSA-N	1	0	361.408	1.990	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COCCCC)CC1	ZINC001130282492	938780080	/nfs/dbraw/zinc/78/00/80/938780080.db2.gz	VKXYUIGGEMHIRQ-XLIONFOSSA-N	1	0	363.502	1.302	20	30		FDEDRO
C=CCOCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CSC)CC1	ZINC001130269554	938784270	/nfs/dbraw/zinc/78/42/70/938784270.db2.gz	WTBZJEGMSWCDIB-QAPCUYQASA-N	1	0	369.531	1.027	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)/C=C\c2ccco2)CC1	ZINC001130271471	938785031	/nfs/dbraw/zinc/78/50/31/938785031.db2.gz	AYLIVYRHRNLBHX-PGTZJJDYSA-N	1	0	357.454	1.954	20	30		FDEDRO
CC[C@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC#CCOC)CC1	ZINC001130274607	938786991	/nfs/dbraw/zinc/78/69/91/938786991.db2.gz	VYYONLCJLVFVAR-WDYCEAGBSA-N	1	0	363.502	1.158	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCCOCC)CC1	ZINC001130276454	938787306	/nfs/dbraw/zinc/78/73/06/938787306.db2.gz	AYRQKPDXURNYCW-APWZRJJASA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCOC)CC1	ZINC001130276926	938788153	/nfs/dbraw/zinc/78/81/53/938788153.db2.gz	VLKMNPMAMZOESK-APWZRJJASA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)COC)CC1	ZINC001130278948	938789059	/nfs/dbraw/zinc/78/90/59/938789059.db2.gz	MTTGSGFLVZMENZ-LESCRADOSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](O)C(C)C)CC1	ZINC001130285202	938790152	/nfs/dbraw/zinc/79/01/52/938790152.db2.gz	DIPRIAWENQGVTO-BPQIPLTHSA-N	1	0	351.491	1.055	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+]([C@@H](C)COC)CC1	ZINC001130287744	938792376	/nfs/dbraw/zinc/79/23/76/938792376.db2.gz	BVAAZMROKCMMCB-VPWXQRGCSA-N	1	0	363.502	1.300	20	30		FDEDRO
C=CCOCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2(C)CC2)CC1	ZINC001130288894	938793914	/nfs/dbraw/zinc/79/39/14/938793914.db2.gz	ZMUYMWKSQVKKIC-AEFFLSMTSA-N	1	0	363.502	1.465	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCC2CC2)CC1	ZINC001130290713	938795411	/nfs/dbraw/zinc/79/54/11/938795411.db2.gz	LDPMDOOAQCBLOK-NQIIRXRSSA-N	1	0	357.498	1.675	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](CCC)OC)CC1	ZINC001130295555	938797764	/nfs/dbraw/zinc/79/77/64/938797764.db2.gz	HTFNFMMZWRINHB-LMMKCTJWSA-N	1	0	363.502	1.300	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCn2cccc2)CC1	ZINC001130305159	938803326	/nfs/dbraw/zinc/80/33/26/938803326.db2.gz	LNBYYDKWQHVIHC-XLIONFOSSA-N	1	0	358.486	1.540	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(C)(C)CCOC)CC1	ZINC001130305328	938803661	/nfs/dbraw/zinc/80/36/61/938803661.db2.gz	UPFJXLNLRLGIOY-AEFFLSMTSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccncc1	ZINC000805811849	938831146	/nfs/dbraw/zinc/83/11/46/938831146.db2.gz	VGXDYWNXBSBDFR-SFHVURJKSA-N	1	0	365.437	1.559	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccncc1	ZINC000805816181	938832163	/nfs/dbraw/zinc/83/21/63/938832163.db2.gz	YVZKRCPRGAWTJT-MSOLQXFVSA-N	1	0	356.470	1.902	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1	ZINC000806042545	938879875	/nfs/dbraw/zinc/87/98/75/938879875.db2.gz	WFVLJGVSBLEZLZ-UHFFFAOYSA-N	1	0	372.238	1.528	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC(C)(C)C)C[C@H]1c1cn(C)cn1	ZINC001130502656	938885427	/nfs/dbraw/zinc/88/54/27/938885427.db2.gz	WZQQZIRLPKVNDH-GOEBONIOSA-N	1	0	361.490	1.043	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)/C=C(/C)C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130513448	938893052	/nfs/dbraw/zinc/89/30/52/938893052.db2.gz	XDSCMMYXXIUMBG-PDUYLLJLSA-N	1	0	358.486	1.863	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#Cc2ccccc2)C1	ZINC001130531695	938900476	/nfs/dbraw/zinc/90/04/76/938900476.db2.gz	CEAMGEXDVQHVDU-XKGZKEIXSA-N	1	0	361.449	1.515	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130583566	939883462	/nfs/dbraw/zinc/88/34/62/939883462.db2.gz	GHRYTNHOLWAONV-HHXXYDBFSA-N	1	0	370.501	1.635	20	30		FDEDRO
Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1c1cn(C)cn1	ZINC001130583777	939884518	/nfs/dbraw/zinc/88/45/18/939884518.db2.gz	QJGIJDVWQNNDRM-FXAWDEMLSA-N	1	0	365.481	1.867	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnn(C)c2)C1	ZINC001130578608	939891435	/nfs/dbraw/zinc/89/14/35/939891435.db2.gz	VNCNBELXPZJPAC-FUHWJXTLSA-N	1	0	354.458	1.041	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2conc2CC)C1	ZINC001130578614	939891684	/nfs/dbraw/zinc/89/16/84/939891684.db2.gz	WBBXGADBCCKSCQ-QFBILLFUSA-N	1	0	369.469	1.858	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccnn2CCC)C[C@H]1c1cn(C)cn1	ZINC001130600486	939895366	/nfs/dbraw/zinc/89/53/66/939895366.db2.gz	GYJBVDQKJCAPTD-DOTOQJQBSA-N	1	0	354.458	1.248	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)c2C)C[C@H]1c1cn(C)cn1	ZINC001130601149	939904047	/nfs/dbraw/zinc/90/40/47/939904047.db2.gz	WJUKBEDWBPZFID-PKOBYXMFSA-N	1	0	368.485	1.002	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2nn(C)cc2Cl)C[C@H]1c1cn(C)cn1	ZINC001130599040	939904577	/nfs/dbraw/zinc/90/45/77/939904577.db2.gz	DYLIHXRALLZMPK-SWLSCSKDSA-N	1	0	360.849	1.028	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccns2)C[C@H]1c1cn(C)cn1	ZINC001130599057	939904631	/nfs/dbraw/zinc/90/46/31/939904631.db2.gz	FZVMMEANZLGPIX-DZGCQCFKSA-N	1	0	361.471	1.277	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(=O)c3ccc(F)cc3o2)c1C#N	ZINC000806381330	939907236	/nfs/dbraw/zinc/90/72/36/939907236.db2.gz	YYWPFWJEIKSEBZ-UHFFFAOYSA-N	1	0	369.356	1.931	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCF)C2)CCOCC1	ZINC001130610651	939907983	/nfs/dbraw/zinc/90/79/83/939907983.db2.gz	PKRRRFQWPGCHBR-DOTOQJQBSA-N	1	0	362.449	1.094	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1c1cn(C)cn1	ZINC001130611587	939909460	/nfs/dbraw/zinc/90/94/60/939909460.db2.gz	AHTWTPSRMVKAAH-GOEBONIOSA-N	1	0	356.430	1.080	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2[nH]c(C)cc2C)C[C@H]1c1cn(C)cn1	ZINC001130614889	939912301	/nfs/dbraw/zinc/91/23/01/939912301.db2.gz	GNBQBHMMKRDRLQ-FUHWJXTLSA-N	1	0	369.469	1.213	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3cccn3cn2)C[C@H]1c1cn(C)cn1	ZINC001130615084	939912818	/nfs/dbraw/zinc/91/28/18/939912818.db2.gz	KGBVJDVUHNEIAG-QFBILLFUSA-N	1	0	362.437	1.289	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(=O)N(C)CC)C1	ZINC001130602628	939914219	/nfs/dbraw/zinc/91/42/19/939914219.db2.gz	KYESULGHUCEEIR-DOTOQJQBSA-N	1	0	361.490	1.139	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2CC)C[C@H]1c1cn(C)cn1	ZINC001130622059	939920432	/nfs/dbraw/zinc/92/04/32/939920432.db2.gz	NLMRDLQRLDBDPK-FUHWJXTLSA-N	1	0	370.501	1.880	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2ccnc(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130637599	939939279	/nfs/dbraw/zinc/93/92/79/939939279.db2.gz	BGXVSNVFCVHGQP-PKOBYXMFSA-N	1	0	366.469	1.059	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CCC)c2ccccn2)C[C@H]1c1cn(C)cn1	ZINC001130654271	939947837	/nfs/dbraw/zinc/94/78/37/939947837.db2.gz	CQJFQFVXTZVJCJ-ABSDTBQOSA-N	1	0	365.481	1.916	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccn(CC)c2C)C[C@H]1c1cn(C)cn1	ZINC001130654983	939948633	/nfs/dbraw/zinc/94/86/33/939948633.db2.gz	ZDBABCDBERJNCP-PKOBYXMFSA-N	1	0	353.470	1.771	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2[nH]c(C)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130675064	939972983	/nfs/dbraw/zinc/97/29/83/939972983.db2.gz	JUTQQNCJNUGQLF-DOTOQJQBSA-N	1	0	356.474	1.924	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)nc2OC)C[C@H]1c1cn(C)cn1	ZINC001130687653	939977531	/nfs/dbraw/zinc/97/75/31/939977531.db2.gz	KKKYFHFFMFDTGH-FUHWJXTLSA-N	1	0	367.453	1.353	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(COC)on2)C[C@H]1c1cn(C)cn1	ZINC001130687871	939977908	/nfs/dbraw/zinc/97/79/08/939977908.db2.gz	UZAHUFMGIQBGQM-WMLDXEAASA-N	1	0	359.430	1.328	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCO[C@H]2C(=C)C)C[C@H]1c1cn(C)cn1	ZINC001130689695	939979570	/nfs/dbraw/zinc/97/95/70/939979570.db2.gz	GRMDZVRWXQBDJF-XEYPJELSSA-N	1	0	370.497	1.699	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)nn(CC)c2C)C[C@H]1c1cn(C)cn1	ZINC001130692709	939981556	/nfs/dbraw/zinc/98/15/56/939981556.db2.gz	ZQCWVTZIACHLMK-FUHWJXTLSA-N	1	0	368.485	1.474	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2ccnc2)C[C@H]1c1cn(C)cn1	ZINC001130682685	939982275	/nfs/dbraw/zinc/98/22/75/939982275.db2.gz	HUVISFGSVDYMJR-XYJFISCASA-N	1	0	356.474	1.728	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCCn2ccnc2C)C[C@H]1c1cn(C)cn1	ZINC001130695352	939990066	/nfs/dbraw/zinc/99/00/66/939990066.db2.gz	OBZHHZFYJDIBRF-PKOBYXMFSA-N	1	0	368.485	1.313	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2CC3(C2)CCOCC3)C[C@H]1c1cn(C)cn1	ZINC001130713023	940000090	/nfs/dbraw/zinc/00/00/90/940000090.db2.gz	YZZFPHJYFSBYDF-PKOBYXMFSA-N	1	0	370.497	1.534	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COc2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130717354	940004606	/nfs/dbraw/zinc/00/46/06/940004606.db2.gz	IEUGRDFAXAOVKZ-PKOBYXMFSA-N	1	0	354.454	1.959	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]C[C@@H](C)OC)C2)nc1	ZINC001130714494	940005818	/nfs/dbraw/zinc/00/58/18/940005818.db2.gz	BFRQGQQXGQERIL-SIXWZSSISA-N	1	0	367.453	1.029	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCC(=O)NCCC)C[C@H]1c1cn(C)cn1	ZINC001130714825	940006612	/nfs/dbraw/zinc/00/66/12/940006612.db2.gz	KWZHGBUOHFSDTE-DOTOQJQBSA-N	1	0	361.490	1.187	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]C/C=C/Cl)C2)nc1	ZINC001130714870	940007006	/nfs/dbraw/zinc/00/70/06/940007006.db2.gz	NCKLZUYBKBGRHW-ZSSMVNRLSA-N	1	0	369.856	1.747	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130708382	940014086	/nfs/dbraw/zinc/01/40/86/940014086.db2.gz	MRSOYLAUIPRIFA-PKOBYXMFSA-N	1	0	370.497	1.390	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3cccnc3C2)C[C@H]1c1cn(C)cn1	ZINC001130722041	940025818	/nfs/dbraw/zinc/02/58/18/940025818.db2.gz	XPJRVUYJZHCGJA-ABSDTBQOSA-N	1	0	365.481	1.690	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@H](F)CC)C1	ZINC001130739673	940041009	/nfs/dbraw/zinc/04/10/09/940041009.db2.gz	JNNFIKMROQBCEW-HLLBOEOZSA-N	1	0	352.454	1.645	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCCn2ccnc2)C[C@H]1c1cn(C)cn1	ZINC001130739765	940041573	/nfs/dbraw/zinc/04/15/73/940041573.db2.gz	NKTZXDBQPRWGSF-PKOBYXMFSA-N	1	0	370.501	1.947	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(C)(F)F)n2)O1	ZINC001130749706	940056763	/nfs/dbraw/zinc/05/67/63/940056763.db2.gz	NYYGURWETKOGIZ-VHSXEESVSA-N	1	0	363.796	1.638	20	30		FDEDRO
C#Cc1cncc(C(=O)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)c1	ZINC000806808398	940060045	/nfs/dbraw/zinc/06/00/45/940060045.db2.gz	BZTDAHJDMRCXBN-UHFFFAOYSA-N	1	0	350.422	1.284	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCc3ccco3)n2)O1	ZINC001130756374	940077832	/nfs/dbraw/zinc/07/78/32/940077832.db2.gz	CTUWRFSWRMQMLM-JKSUJKDBSA-N	1	0	371.441	1.480	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C)oc3C)n2)O1	ZINC001130756766	940080541	/nfs/dbraw/zinc/08/05/41/940080541.db2.gz	ZJYJCBPHPAJXIJ-DZGCQCFKSA-N	1	0	357.414	1.387	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C)c(C)o3)n2)O1	ZINC001130775132	940091740	/nfs/dbraw/zinc/09/17/40/940091740.db2.gz	LXMHUXDNXQAZSY-UONOGXRCSA-N	1	0	359.430	1.940	20	30		FDEDRO
C=CCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C/C=C/Cl)O2)n[nH]1	ZINC001130767163	940100067	/nfs/dbraw/zinc/10/00/67/940100067.db2.gz	ASOXOQCEFCSAIH-JDRGJFMNSA-N	1	0	353.854	1.949	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC3=CCCCC3)n2)O1	ZINC001130768025	940102834	/nfs/dbraw/zinc/10/28/34/940102834.db2.gz	ZJYAHCIKMSVWIF-JKSUJKDBSA-N	1	0	357.458	1.754	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cscn3)n2)O1	ZINC001130769308	940105954	/nfs/dbraw/zinc/10/59/54/940105954.db2.gz	BWBRRPPDAMNOBK-WCQYABFASA-N	1	0	360.443	1.024	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc[nH]c3C)n2)O1	ZINC001130772361	940111564	/nfs/dbraw/zinc/11/15/64/940111564.db2.gz	JACMHABYGRXGSM-DZGCQCFKSA-N	1	0	358.446	1.757	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3CC(F)(F)C3)n2)O1	ZINC001130776449	940125077	/nfs/dbraw/zinc/12/50/77/940125077.db2.gz	FMENGIVAULOXFV-QWHCGFSZSA-N	1	0	367.400	1.299	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3csnc3C)n2)O1	ZINC001130776976	940127593	/nfs/dbraw/zinc/12/75/93/940127593.db2.gz	PEMOGRDMSUNDJN-WCQYABFASA-N	1	0	362.459	1.495	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[C@H](C)OC)n2)O1	ZINC001130777033	940127702	/nfs/dbraw/zinc/12/77/02/940127702.db2.gz	SGPQNTMJWHNTII-SOUVJXGZSA-N	1	0	365.478	1.622	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](CC)SC)n2)O1	ZINC001130777196	940128362	/nfs/dbraw/zinc/12/83/62/940128362.db2.gz	WEGOGLLNNLFHCN-MJBXVCDLSA-N	1	0	367.519	1.948	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3=CCOCC3)n2)O1	ZINC001130778079	940130960	/nfs/dbraw/zinc/13/09/60/940130960.db2.gz	DZYGXBAMLUBHLE-LSDHHAIUSA-N	1	0	361.446	1.153	20	30		FDEDRO
C#CCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC3CCC3)O2)n[nH]1	ZINC001130778466	940131980	/nfs/dbraw/zinc/13/19/80/940131980.db2.gz	ZNAGCFNPAVWSEW-JKSUJKDBSA-N	1	0	359.474	1.834	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](OC)C3CC3)n2)O1	ZINC001130783296	940142936	/nfs/dbraw/zinc/14/29/36/940142936.db2.gz	VUKZFEJNNDVDKL-SQWLQELKSA-N	1	0	363.462	1.232	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC#CC)O2)n[nH]1	ZINC001130796551	940151187	/nfs/dbraw/zinc/15/11/87/940151187.db2.gz	XPAXONWOWDOWFM-OWCLPIDISA-N	1	0	359.474	1.856	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(CC)ccn3)n2)O1	ZINC001130787446	940156756	/nfs/dbraw/zinc/15/67/56/940156756.db2.gz	REHALUIEIOIPCY-GOEBONIOSA-N	1	0	370.457	1.688	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCC3(F)F)n2)O1	ZINC001130787482	940157229	/nfs/dbraw/zinc/15/72/29/940157229.db2.gz	UPEFKWHGDZUFDA-SDDRHHMPSA-N	1	0	355.389	1.462	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ncccc3CC)n2)O1	ZINC001130790223	940163361	/nfs/dbraw/zinc/16/33/61/940163361.db2.gz	NRGBSPOLYJKDSZ-LSDHHAIUSA-N	1	0	368.441	1.135	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(CC(C)C)CC3)n2)O1	ZINC001130790398	940164107	/nfs/dbraw/zinc/16/41/07/940164107.db2.gz	YFROCJRZYFLACI-LSDHHAIUSA-N	1	0	359.474	1.690	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@](C)(F)CCCC)n2)O1	ZINC001130792511	940171067	/nfs/dbraw/zinc/17/10/67/940171067.db2.gz	IAPRJOCKSZMLRA-IYOUNJFTSA-N	1	0	365.453	1.782	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C)[nH]c3C)n2)O1	ZINC001130809091	940185073	/nfs/dbraw/zinc/18/50/73/940185073.db2.gz	GUVSBFXGNHJABH-DZGCQCFKSA-N	1	0	358.446	1.675	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3C[C@H]3C3CC3)n2)O1	ZINC001130811776	940205456	/nfs/dbraw/zinc/20/54/56/940205456.db2.gz	JFTHLUOONNGNDP-CAOSSQGBSA-N	1	0	359.474	1.853	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H](C)n3cccc3)n2)O1	ZINC001130817179	940221087	/nfs/dbraw/zinc/22/10/87/940221087.db2.gz	DKLCRANYIVVSBC-OWCLPIDISA-N	1	0	370.457	1.317	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)CCOC)n2)O1	ZINC001130817587	940222863	/nfs/dbraw/zinc/22/28/63/940222863.db2.gz	UVZPGHIXGZXBTD-SOUVJXGZSA-N	1	0	365.478	1.479	20	30		FDEDRO
C#C[C@@H](CC)NC(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1	ZINC000807034879	940225015	/nfs/dbraw/zinc/22/50/15/940225015.db2.gz	VUDUXGRAKJQGHB-AWEZNQCLSA-N	1	0	358.442	1.433	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3COCCO3)C2)c(F)c1	ZINC001086648158	940234339	/nfs/dbraw/zinc/23/43/39/940234339.db2.gz	RNVCOVPNFNEKRM-YXJHDRRASA-N	1	0	361.417	1.487	20	30		FDEDRO
Cn1cncc1[C@@H]1CN(C(=O)C(F)F)C[C@H]1[NH2+]CC#Cc1ccccc1	ZINC001130884712	940281140	/nfs/dbraw/zinc/28/11/40/940281140.db2.gz	QEVCEISXRPBKFR-HZPDHXFCSA-N	1	0	358.392	1.621	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2C)C[C@H]1c1cncn1C	ZINC001130910669	940317794	/nfs/dbraw/zinc/31/77/94/940317794.db2.gz	IOVMAGZKBDOKQO-IAGOWNOFSA-N	1	0	356.474	1.626	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cncnc3C)C2)C1=O	ZINC001086651361	940339946	/nfs/dbraw/zinc/33/99/46/940339946.db2.gz	SPAIKPSHAHFHIC-ZMSDIMECSA-N	1	0	357.458	1.060	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCOC(C)C)C1	ZINC001130948652	940346868	/nfs/dbraw/zinc/34/68/68/940346868.db2.gz	STVJXITUPQLEAP-IAGOWNOFSA-N	1	0	364.490	1.322	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1c1cncn1C	ZINC001130941248	940351738	/nfs/dbraw/zinc/35/17/38/940351738.db2.gz	VIIILHMJQXMRED-RBSFLKMASA-N	1	0	369.473	1.345	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)COCCOC)C[C@H]1c1cncn1C	ZINC001130941078	940351885	/nfs/dbraw/zinc/35/18/85/940351885.db2.gz	RHVQXANQFHRLDR-BRWVUGGUSA-N	1	0	364.490	1.322	20	30		FDEDRO
C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC000807452793	940363388	/nfs/dbraw/zinc/36/33/88/940363388.db2.gz	GCFTYISZIFNKIY-PBHICJAKSA-N	1	0	356.426	1.613	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1c1cncn1C	ZINC001130969093	940376611	/nfs/dbraw/zinc/37/66/11/940376611.db2.gz	OSLQOZQOBNDNQA-IAGOWNOFSA-N	1	0	368.441	1.020	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)COC(C)(C)C)C[C@H]1c1cncn1C	ZINC001130969166	940377179	/nfs/dbraw/zinc/37/71/79/940377179.db2.gz	SHUSSAQGQRYTAK-HZPDHXFCSA-N	1	0	364.490	1.322	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@H](CC)OC)C1	ZINC001130964640	940386749	/nfs/dbraw/zinc/38/67/49/940386749.db2.gz	WFPYVBRJRNVLMO-RCCFBDPRSA-N	1	0	360.502	1.923	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccccc2)C1	ZINC001130983740	940398961	/nfs/dbraw/zinc/39/89/61/940398961.db2.gz	ZECMJSFCQUPHQQ-OPYAIIAOSA-N	1	0	368.481	1.831	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1	ZINC000747404017	940402718	/nfs/dbraw/zinc/40/27/18/940402718.db2.gz	FKINYCWWVQKTCK-UHFFFAOYSA-N	1	0	353.422	1.558	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCOCC(F)F)C[C@H]1c1cncn1C	ZINC001130994096	940416191	/nfs/dbraw/zinc/41/61/91/940416191.db2.gz	FYVLFWXZTAYKIU-ZIAGYGMSSA-N	1	0	356.417	1.552	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3n[nH]cc32)C[C@H]1c1cncn1C	ZINC001130994335	940417144	/nfs/dbraw/zinc/41/71/44/940417144.db2.gz	UOAYZUMAUPHGEJ-QGPMSJSTSA-N	1	0	366.469	1.171	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccn(C(F)F)n2)C[C@H]1c1cncn1C	ZINC001131004042	940430265	/nfs/dbraw/zinc/43/02/65/940430265.db2.gz	YOUOPLNBHPONDE-TZMCWYRMSA-N	1	0	364.400	1.786	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCC)C2)CCOCC1	ZINC001131007838	940434469	/nfs/dbraw/zinc/43/44/69/940434469.db2.gz	NMOUQVWBKCMNQC-IAGOWNOFSA-N	1	0	358.486	1.534	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(F)cccc2OC)C[C@H]1c1cncn1C	ZINC001130999218	940435796	/nfs/dbraw/zinc/43/57/96/940435796.db2.gz	KPXVEXJYBIPCDQ-GDBMZVCRSA-N	1	0	370.428	1.789	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC2(F)F)C[C@H]1c1cncn1C	ZINC001131015481	940448683	/nfs/dbraw/zinc/44/86/83/940448683.db2.gz	YFMWSCOWWACCJQ-RBSFLKMASA-N	1	0	368.428	1.552	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc3cc[nH]c3n2)C[C@H]1c1cncn1C	ZINC001131015416	940448715	/nfs/dbraw/zinc/44/87/15/940448715.db2.gz	WQSPHEPKVYEAPH-NVXWUHKLSA-N	1	0	362.437	1.518	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccnc(OC)c2)C[C@H]1c1cncn1C	ZINC001131022801	940456035	/nfs/dbraw/zinc/45/60/35/940456035.db2.gz	HLZKWELQRRMKRS-IAGOWNOFSA-N	1	0	369.469	1.988	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3ccccc3O2)C[C@H]1c1cncn1C	ZINC001131026064	940459358	/nfs/dbraw/zinc/45/93/58/940459358.db2.gz	SEWDINFOCFTTFQ-MBOZVWFJSA-N	1	0	364.449	1.331	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cn(C)ccc2=O)C[C@H]1c1cncn1C	ZINC001131029053	940464057	/nfs/dbraw/zinc/46/40/57/940464057.db2.gz	YDQDQLBBUOWIDF-NVXWUHKLSA-N	1	0	369.469	1.283	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1cncn1C	ZINC001131036091	940465464	/nfs/dbraw/zinc/46/54/64/940465464.db2.gz	ZKEYFFLSKAUEPJ-XHAXUUNYSA-N	1	0	356.470	1.304	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCOC)C2)cc1	ZINC001131040089	940468173	/nfs/dbraw/zinc/46/81/73/940468173.db2.gz	LHGHFXXOEOWGGT-QZTJIDSGSA-N	1	0	352.438	1.246	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c(C)nn(C)c2C)C[C@H]1c1cncn1C	ZINC001131040557	940468739	/nfs/dbraw/zinc/46/87/39/940468739.db2.gz	ZTOMIVWNVGGTPB-IAGOWNOFSA-N	1	0	370.501	1.934	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cncn2C)C1	ZINC001131057464	940477830	/nfs/dbraw/zinc/47/78/30/940477830.db2.gz	JKGPJWZQBZUKLJ-CGTJXYLNSA-N	1	0	370.501	1.840	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)CC1	ZINC000807801117	940482270	/nfs/dbraw/zinc/48/22/70/940482270.db2.gz	FHSDFFQBVBGRPL-YDHLFZDLSA-N	1	0	373.419	1.636	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@]23C[C@H]2CCCC3)C[C@H]1c1cncn1C	ZINC001131066816	940482393	/nfs/dbraw/zinc/48/23/93/940482393.db2.gz	LIUHBYJJQOEYBU-NEYJZJCJSA-N	1	0	370.497	1.534	20	30		FDEDRO
C=CCN(C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(C)C	ZINC000807855248	940484446	/nfs/dbraw/zinc/48/44/46/940484446.db2.gz	IHKZVJOQHJBSBJ-UHFFFAOYSA-N	1	0	365.518	1.808	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3nc[nH]c32)C[C@H]1c1cncn1C	ZINC001131070216	940484457	/nfs/dbraw/zinc/48/44/57/940484457.db2.gz	KYGXZPPFICIUBZ-BFYDXBDKSA-N	1	0	366.469	1.171	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1c1cncn1C	ZINC001131073732	940490269	/nfs/dbraw/zinc/49/02/69/940490269.db2.gz	LNVSJDQDEORVQU-USXIJHARSA-N	1	0	371.489	1.410	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)NC(C)=O)C[C@H]1c1cncn1C	ZINC001131073977	940490460	/nfs/dbraw/zinc/49/04/60/940490460.db2.gz	RXTVYDDCORIYFM-IXDOHACOSA-N	1	0	361.490	1.185	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]cn2)C[C@H]1c1cncn1C	ZINC001131089342	940494518	/nfs/dbraw/zinc/49/45/18/940494518.db2.gz	BIWCZJFZNKNROK-KBAYOESNSA-N	1	0	370.501	1.872	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(N(C)C)c2)C[C@H]1c1cncn1C	ZINC001131113372	940499377	/nfs/dbraw/zinc/49/93/77/940499377.db2.gz	YHKNKSTXJBPKAG-RTBURBONSA-N	1	0	365.481	1.707	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2ccccc2)C[C@H]1c1cncn1C	ZINC001131117543	940504228	/nfs/dbraw/zinc/50/42/28/940504228.db2.gz	CQXVLOAHUYYVDO-QXAKKESOSA-N	1	0	366.465	1.795	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2cncn2C)C[C@H]1c1cncn1C	ZINC001131117691	940504520	/nfs/dbraw/zinc/50/45/20/940504520.db2.gz	MSINDIYWADAWGD-QZTJIDSGSA-N	1	0	370.501	1.637	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccccc2OC)C[C@H]1c1cncn1C	ZINC001131119454	940505159	/nfs/dbraw/zinc/50/51/59/940505159.db2.gz	CSHKBGVBNJVUNN-QZTJIDSGSA-N	1	0	366.465	1.579	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(COC)cc2)C[C@H]1c1cncn1C	ZINC001131119585	940505484	/nfs/dbraw/zinc/50/54/84/940505484.db2.gz	KRJOBMVDWKJKLC-RTBURBONSA-N	1	0	366.465	1.788	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn3ccccc3n2)C[C@H]1c1cncn1C	ZINC001131119673	940505621	/nfs/dbraw/zinc/50/56/21/940505621.db2.gz	PUVBAJKVIKXUOI-HZPDHXFCSA-N	1	0	364.453	1.842	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2c(C)n[nH]c2C)C[C@H]1c1cncn1C	ZINC001131121521	940506732	/nfs/dbraw/zinc/50/67/32/940506732.db2.gz	XPWPWTFLANAFBK-QZTJIDSGSA-N	1	0	370.501	1.853	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)cc2)C[C@H]1c1cncn1C	ZINC001131123522	940507037	/nfs/dbraw/zinc/50/70/37/940507037.db2.gz	JGAHEHLIBJZQGI-IAGOWNOFSA-N	1	0	367.453	1.293	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CCC([NH+](CCOC)CCOC)CC1)C(C)(C)C	ZINC000808316706	940537856	/nfs/dbraw/zinc/53/78/56/940537856.db2.gz	KNBKEZQBAHGZCL-QGZVFWFLSA-N	1	0	353.507	1.803	20	30		FDEDRO
C=CCCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCCOCC)C[C@H]32)C1	ZINC001131303816	940547642	/nfs/dbraw/zinc/54/76/42/940547642.db2.gz	CZTYSHMHFULDPH-BBWFWOEESA-N	1	0	365.474	1.485	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cnccc3C)C2)C1=O	ZINC001086665066	940552385	/nfs/dbraw/zinc/55/23/85/940552385.db2.gz	OYZHDDGLFUJBSM-LZLYRXPVSA-N	1	0	356.470	1.665	20	30		FDEDRO
Cn1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)cc1=O	ZINC001086668519	940563197	/nfs/dbraw/zinc/56/31/97/940563197.db2.gz	RNFJRHNTMZTGKH-XJKSGUPXSA-N	1	0	353.426	1.273	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC(C)C)CC1	ZINC001131411527	940566049	/nfs/dbraw/zinc/56/60/49/940566049.db2.gz	WFSYGVUREIVFNU-APWZRJJASA-N	1	0	351.491	1.320	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2COCCO2)CC1	ZINC001131427309	940566893	/nfs/dbraw/zinc/56/68/93/940566893.db2.gz	VLMPXOONJQCFAK-KURKYZTESA-N	1	0	352.475	1.354	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CCCC2=O)CC1	ZINC001131416490	940567640	/nfs/dbraw/zinc/56/76/40/940567640.db2.gz	HIPKDRFBVOGGNP-XLIONFOSSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnsn2)CC1	ZINC001131439725	940588880	/nfs/dbraw/zinc/58/88/80/940588880.db2.gz	QIMJSOBHQIIKHD-ZBFHGGJFSA-N	1	0	366.487	1.340	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCC(=O)NCC)CC1	ZINC001131453913	940607058	/nfs/dbraw/zinc/60/70/58/940607058.db2.gz	CZWRNNAZIKUEBZ-APWZRJJASA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCCOC)CC1	ZINC001131456444	940610403	/nfs/dbraw/zinc/61/04/03/940610403.db2.gz	PYFXSPISHRNXSC-MJGOQNOKSA-N	1	0	354.491	1.601	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2ccon2)CC1	ZINC001131456578	940610828	/nfs/dbraw/zinc/61/08/28/940610828.db2.gz	UXEOHNRKLQKDKO-MJGOQNOKSA-N	1	0	363.458	1.405	20	30		FDEDRO
C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H](CC)OC)CC1	ZINC001131461606	940619868	/nfs/dbraw/zinc/61/98/68/940619868.db2.gz	RIRRVDJDFJNFQC-SCTDSRPQSA-N	1	0	354.491	1.600	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)CSC)CC1	ZINC001131464567	940622254	/nfs/dbraw/zinc/62/22/54/940622254.db2.gz	VWDLQHVJYPVNIH-JQHSSLGASA-N	1	0	368.543	1.621	20	30		FDEDRO
CO[C@H](C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1	ZINC001131470844	940626562	/nfs/dbraw/zinc/62/65/62/940626562.db2.gz	WJRVUTXETHSYKB-QBIMZIAESA-N	1	0	360.458	1.521	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC(=O)NCC)CC1	ZINC001131478506	940634278	/nfs/dbraw/zinc/63/42/78/940634278.db2.gz	BGJHTKSTDJIZOE-PBHICJAKSA-N	1	0	357.882	1.251	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H](C)CC)CC1	ZINC001131478858	940634677	/nfs/dbraw/zinc/63/46/77/940634677.db2.gz	NNVRMPQKVKXRSQ-VPWXQRGCSA-N	1	0	363.502	1.158	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCOC)CC1	ZINC001131483141	940638392	/nfs/dbraw/zinc/63/83/92/940638392.db2.gz	PCUIFDKEPYZEOH-NEWSRXKRSA-N	1	0	354.491	1.336	20	30		FDEDRO
CC(C)C#CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cnns2)CC1	ZINC001131495701	940646619	/nfs/dbraw/zinc/64/66/19/940646619.db2.gz	AZJPEBXCDGTTII-AEFFLSMTSA-N	1	0	362.499	1.683	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(C(F)F)CC2)CC1	ZINC001131495851	940647002	/nfs/dbraw/zinc/64/70/02/940647002.db2.gz	HNIOZHFOXOKVSG-CVEARBPZSA-N	1	0	370.440	1.667	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCOCC)CC1	ZINC001131502320	940652609	/nfs/dbraw/zinc/65/26/09/940652609.db2.gz	AFZBFZNOGFIJNR-UHOSZYNNSA-N	1	0	366.502	1.437	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(N)=O)CC1	ZINC001131503058	940653585	/nfs/dbraw/zinc/65/35/85/940653585.db2.gz	OXKLQEZSLKKUGI-UNEWFSDZSA-N	1	0	351.491	1.448	20	30		FDEDRO
C=C(C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N(C)C)CC1	ZINC001131506559	940668415	/nfs/dbraw/zinc/66/84/15/940668415.db2.gz	DTYCUYYTFLYNAA-APWZRJJASA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](CC)C(N)=O)CC1	ZINC001131506790	940669227	/nfs/dbraw/zinc/66/92/27/940669227.db2.gz	PDVBWHFWXABKTR-JZXOWHBKSA-N	1	0	365.518	1.838	20	30		FDEDRO
C#CCC1(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+][C@H](C)C(N)=O)CC2)CCC1	ZINC001131515364	940679717	/nfs/dbraw/zinc/67/97/17/940679717.db2.gz	GLYNNINAFCDABP-OIISXLGYSA-N	1	0	361.486	1.040	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2cn(C)nc2C)CC1	ZINC001131515540	940680812	/nfs/dbraw/zinc/68/08/12/940680812.db2.gz	QPTVFXXTHCJMKQ-QUCCMNQESA-N	1	0	358.486	1.280	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H]2CCN(C)C2=O)CC1	ZINC001131519055	940687766	/nfs/dbraw/zinc/68/77/66/940687766.db2.gz	CTHPQZHTIYYCDD-SCTDSRPQSA-N	1	0	363.502	1.417	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(F)c[nH]2)CC1	ZINC001131527894	940697526	/nfs/dbraw/zinc/69/75/26/940697526.db2.gz	DVXSDOKWXKOWCU-AEFFLSMTSA-N	1	0	363.433	1.403	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCc3nccn3C2)CC1	ZINC001131522446	940705622	/nfs/dbraw/zinc/70/56/22/940705622.db2.gz	HYBNRHRUMQLXQN-NSHGMRRFSA-N	1	0	370.497	1.455	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(C)nnc2CC)CC1	ZINC001131522750	940706407	/nfs/dbraw/zinc/70/64/07/940706407.db2.gz	XFIFZSKFSLEFBW-UXHICEINSA-N	1	0	370.497	1.970	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(C)nnc2CC)CC1	ZINC001131522693	940706501	/nfs/dbraw/zinc/70/65/01/940706501.db2.gz	UKOJOYWIRHRMGU-UXHICEINSA-N	1	0	370.497	1.970	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2nc(C)no2)CC1	ZINC001131538151	940726350	/nfs/dbraw/zinc/72/63/50/940726350.db2.gz	IAHPWKUZGLIYFB-APWZRJJASA-N	1	0	360.458	1.320	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@]2(COC)CCOC2)CC1	ZINC001131538334	940726406	/nfs/dbraw/zinc/72/64/06/940726406.db2.gz	LOMLWEMZBZKBIB-WSTZPKSXSA-N	1	0	364.486	1.049	20	30		FDEDRO
C=CCCC1(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+][C@H](C)C(N)=O)CC2)CC1	ZINC001131558203	940732829	/nfs/dbraw/zinc/73/28/29/940732829.db2.gz	MKPKVZWPNNXEFE-OIISXLGYSA-N	1	0	363.502	1.592	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2ccc(OC)cn2)CC1	ZINC001131550134	940738614	/nfs/dbraw/zinc/73/86/14/940738614.db2.gz	LFAUGRSLSMVYBE-CTNGQTDRSA-N	1	0	371.481	1.642	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](CC)NC(C)=O)CC1	ZINC001131570686	940746598	/nfs/dbraw/zinc/74/65/98/940746598.db2.gz	NZDYPOVHKHXYRQ-BBWFWOEESA-N	1	0	371.909	1.639	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(C3CC3)n[nH]2)CC1	ZINC001131570982	940747048	/nfs/dbraw/zinc/74/70/48/940747048.db2.gz	WCMVXUSSUIHTMC-APWZRJJASA-N	1	0	356.470	1.910	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COC[C@H]2CCOC2)CC1	ZINC001131573269	940749382	/nfs/dbraw/zinc/74/93/82/940749382.db2.gz	VHHVCHSIROIPCX-HQRMLTQVSA-N	1	0	366.502	1.601	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccnc(C3CC3)n2)CC1	ZINC001131574806	940751612	/nfs/dbraw/zinc/75/16/12/940751612.db2.gz	KJESTGDXELGTSC-MJGOQNOKSA-N	1	0	368.481	1.977	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(CC)nn2C)CC1	ZINC001131582971	940768983	/nfs/dbraw/zinc/76/89/83/940768983.db2.gz	JHZJVSTUASMWEV-MJGOQNOKSA-N	1	0	358.486	1.605	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ncccn2)CC1	ZINC001131585343	940771365	/nfs/dbraw/zinc/77/13/65/940771365.db2.gz	VVVTULRRLZYDPN-SJORKVTESA-N	1	0	360.458	1.279	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)[C@H](C)CC)CC1	ZINC001131604658	940773910	/nfs/dbraw/zinc/77/39/10/940773910.db2.gz	AMJVMIBCWUDWGB-SUMDDJOVSA-N	1	0	365.518	1.711	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)[C@H](C)CC)CC1	ZINC001131605002	940774612	/nfs/dbraw/zinc/77/46/12/940774612.db2.gz	RZBPRKXVJYCBRH-SUMDDJOVSA-N	1	0	363.502	1.158	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn3ccccc3n2)CC1	ZINC001131605077	940775172	/nfs/dbraw/zinc/77/51/72/940775172.db2.gz	WCFHOBOSRUZDEP-XLIONFOSSA-N	1	0	366.465	1.957	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2Cc3cccnc3C2)CC1	ZINC001131599743	940783089	/nfs/dbraw/zinc/78/30/89/940783089.db2.gz	JZORJIICROCJQG-SBHAEUEKSA-N	1	0	367.493	1.805	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCN(C)C(C)=O)CC1	ZINC001131599799	940783188	/nfs/dbraw/zinc/78/31/88/940783188.db2.gz	MHJCMRSGGLLRPE-QUCCMNQESA-N	1	0	365.518	1.807	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)CCOC)CC1	ZINC001131606927	940786137	/nfs/dbraw/zinc/78/61/37/940786137.db2.gz	NBGDMKSSUKHKJT-UHOSZYNNSA-N	1	0	366.502	1.295	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCC(=O)N(C)C2)CC1	ZINC001131608965	940789011	/nfs/dbraw/zinc/78/90/11/940789011.db2.gz	RNSASTJYGQCALK-LMMKCTJWSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCCOCC)CC1	ZINC001131610219	940789800	/nfs/dbraw/zinc/78/98/00/940789800.db2.gz	GGXUVZUBOGDIJF-QUCCMNQESA-N	1	0	368.518	1.991	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCOCCOC)CC1	ZINC001131610552	940790287	/nfs/dbraw/zinc/79/02/87/940790287.db2.gz	WFNIVARZZVRUDZ-MJGOQNOKSA-N	1	0	354.491	1.601	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn(C)c2C2CC2)CC1	ZINC001131612022	940791673	/nfs/dbraw/zinc/79/16/73/940791673.db2.gz	AUOXWIAYVGMJLK-QUCCMNQESA-N	1	0	370.497	1.920	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)c2cnn(C)c2)CC1	ZINC001131621081	940796331	/nfs/dbraw/zinc/79/63/31/940796331.db2.gz	PGZOYGHRQTYEMG-LZQZEXGQSA-N	1	0	358.486	1.533	20	30		FDEDRO
CC(C)N1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1=O	ZINC001086673347	940834481	/nfs/dbraw/zinc/83/44/81/940834481.db2.gz	CDJNMQZOSMIRLK-VBQJREDUSA-N	1	0	357.458	1.384	20	30		FDEDRO
C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O	ZINC001090502548	940840664	/nfs/dbraw/zinc/84/06/64/940840664.db2.gz	SQLLZHOIRZCRAM-IAGOWNOFSA-N	1	0	371.485	1.272	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C)ncn3)C2)C1=O	ZINC001086675331	940911426	/nfs/dbraw/zinc/91/14/26/940911426.db2.gz	ZMJSIZIYCKWVPB-ARFHVFGLSA-N	1	0	357.458	1.060	20	30		FDEDRO
CCc1nnc([C@@H](C)[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)[nH]1	ZINC001086676309	940933184	/nfs/dbraw/zinc/93/31/84/940933184.db2.gz	RCGODZPNFWNIIM-FRRDWIJNSA-N	1	0	355.446	1.816	20	30		FDEDRO
N#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@H]3CCNC(=O)CC3)C2)[nH]1	ZINC001086676320	940933537	/nfs/dbraw/zinc/93/35/37/940933537.db2.gz	RXTUNQBUNCRPQD-QLFBSQMISA-N	1	0	357.458	1.291	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H](CNC(=O)C(F)(F)F)C1	ZINC000810070907	940951912	/nfs/dbraw/zinc/95/19/12/940951912.db2.gz	YHAJZSMSNIJGJF-DOMZBBRYSA-N	1	0	362.396	1.431	20	30		FDEDRO
Cn1cnc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3F)C2)n1	ZINC001086688521	941081324	/nfs/dbraw/zinc/08/13/24/941081324.db2.gz	WSFUMAMLGPURQE-DZGCQCFKSA-N	1	0	356.405	1.514	20	30		FDEDRO
C[C@@H](COc1ccccc1)NN=C1CC[NH+](CCN2CCOCC2)CC1	ZINC000811664828	941149439	/nfs/dbraw/zinc/14/94/39/941149439.db2.gz	IIDBANLKQSEKTL-SFHVURJKSA-N	1	0	360.502	1.828	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C[N@@H+](CC)CCC)c1	ZINC000811969544	941175552	/nfs/dbraw/zinc/17/55/52/941175552.db2.gz	BNEGAHZLEXLZGO-HNNXBMFYSA-N	1	0	365.499	1.448	20	30		FDEDRO
CON(C)C(=O)C1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1	ZINC000812869912	941290507	/nfs/dbraw/zinc/29/05/07/941290507.db2.gz	PPANBSZAHRDAEA-UHFFFAOYSA-N	1	0	350.444	1.680	20	30		FDEDRO
C#C[C@H](NC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(F)cc1	ZINC000812893202	941293437	/nfs/dbraw/zinc/29/34/37/941293437.db2.gz	QIDZNRUAEZQLGD-ZWKOTPCHSA-N	1	0	374.460	1.742	20	30		FDEDRO
C#C[C@@H](NC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(F)cc1	ZINC000812893200	941293474	/nfs/dbraw/zinc/29/34/74/941293474.db2.gz	QIDZNRUAEZQLGD-QZTJIDSGSA-N	1	0	374.460	1.742	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)CC1	ZINC000813459458	941387672	/nfs/dbraw/zinc/38/76/72/941387672.db2.gz	UIRJUDWESFZFEU-CQSZACIVSA-N	1	0	353.422	1.275	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)Cc1ccsc1	ZINC001134054223	941530558	/nfs/dbraw/zinc/53/05/58/941530558.db2.gz	ASRUXLQXBIBREY-CABCVRRESA-N	1	0	351.472	1.003	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)[C@H](C)c1ccccc1	ZINC001134054310	941531084	/nfs/dbraw/zinc/53/10/84/941531084.db2.gz	FDIHRMIYGXAHDD-NXHRZFHOSA-N	1	0	359.470	1.503	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)N1CCc2ccccc2C1	ZINC001134062073	941540883	/nfs/dbraw/zinc/54/08/83/941540883.db2.gz	QHCRYASOKYFFCY-IPELMVKDSA-N	1	0	371.481	1.257	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)COc1cc(C)cc(C)c1	ZINC001134062307	941541178	/nfs/dbraw/zinc/54/11/78/941541178.db2.gz	WGBUZEFDFGWEAR-UHOSZYNNSA-N	1	0	362.470	1.340	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)o1	ZINC000814105028	941550538	/nfs/dbraw/zinc/55/05/38/941550538.db2.gz	MWWMOKVWQFSLBI-UHFFFAOYSA-N	1	0	358.442	1.606	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccnc2C)C1	ZINC001086720734	941619235	/nfs/dbraw/zinc/61/92/35/941619235.db2.gz	LFKVDTPHEGKPEJ-SXLOBPIMSA-N	1	0	354.498	1.862	20	30		FDEDRO
COc1ccc(N2CC[NH+](C[C@H](O)CN(C)CC(C)(C)C#N)CC2)cc1	ZINC000814669056	941705116	/nfs/dbraw/zinc/70/51/16/941705116.db2.gz	KCFKOWUXHYNPTA-GOSISDBHSA-N	1	0	360.502	1.660	20	30		FDEDRO
CC(N=Nc1ccc(S(=O)(=O)N2CCCC2)cn1)C1CC[NH+](C)CC1	ZINC000814799643	941721955	/nfs/dbraw/zinc/72/19/55/941721955.db2.gz	AQQBLLRDDZXBFH-UHFFFAOYSA-N	1	0	365.503	1.996	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cn[nH]c(=O)c3)C2)cc1F	ZINC001086725138	941724812	/nfs/dbraw/zinc/72/48/12/941724812.db2.gz	LTKCIJWIGJOHMJ-BLLLJJGKSA-N	1	0	369.400	1.881	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@H](O)COc2ccc(CCOC)cc2)CC1	ZINC000815031653	941765153	/nfs/dbraw/zinc/76/51/53/941765153.db2.gz	ZKNRUHOYHVEKHZ-IBGZPJMESA-N	1	0	374.481	1.077	20	30		FDEDRO
C#CCNC(=O)CC[N@H+]1CCCN(Cc2csc([C@@H](C)OC)n2)CC1	ZINC000815060555	941770397	/nfs/dbraw/zinc/77/03/97/941770397.db2.gz	VRDIJWMDYFSVSK-OAHLLOKOSA-N	1	0	364.515	1.498	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000815082134	941777780	/nfs/dbraw/zinc/77/77/80/941777780.db2.gz	ATMXQKIMQLJFGE-UHFFFAOYSA-N	1	0	359.373	1.810	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCC[N@@H+]2CC(=O)NCC#N)C1	ZINC000815204754	941803973	/nfs/dbraw/zinc/80/39/73/941803973.db2.gz	ZLZVJMWWMWQJHO-LSDHHAIUSA-N	1	0	350.463	1.738	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@H]1CCCO[C@H]1C(=C)C	ZINC001135058173	941874247	/nfs/dbraw/zinc/87/42/47/941874247.db2.gz	JAKZOBLTIMKJHH-WMZOPIPTSA-N	1	0	351.491	1.488	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)c1cccc(OC)c1	ZINC001135067807	941883410	/nfs/dbraw/zinc/88/34/10/941883410.db2.gz	NIFBQFYUJXTNIN-FHWLQOOXSA-N	1	0	362.470	1.806	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cnc[nH]c3=O)C2)cc1	ZINC001086727940	941889453	/nfs/dbraw/zinc/88/94/53/941889453.db2.gz	CSKRNUBXCMFREK-JKSUJKDBSA-N	1	0	351.410	1.742	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCCc1ccsc1	ZINC001135145752	941929640	/nfs/dbraw/zinc/92/96/40/941929640.db2.gz	SEYJQDRHIZIOLY-RDJZCZTQSA-N	1	0	365.499	1.094	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)N1CCC(C)CC1	ZINC001135145868	941929686	/nfs/dbraw/zinc/92/96/86/941929686.db2.gz	WPLIQPWSQRKJAX-ULQDDVLXSA-N	1	0	351.491	1.320	20	30		FDEDRO
C#CCN(C)CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1	ZINC000815652799	941933488	/nfs/dbraw/zinc/93/34/88/941933488.db2.gz	UDEMMJRAWZNPPN-AZUAARDMSA-N	1	0	373.497	1.957	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)OC(C)(C)C)CC1	ZINC000815675697	941935863	/nfs/dbraw/zinc/93/58/63/941935863.db2.gz	RGOPYVMSONSHPC-OIISXLGYSA-N	1	0	361.486	1.988	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(Cl)cc1OCC	ZINC000815860888	941997592	/nfs/dbraw/zinc/99/75/92/941997592.db2.gz	FWRJABJSQWKYIR-UHFFFAOYSA-N	1	0	351.834	1.749	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@@H](NC(=O)COc1ccccc1)C(C)C	ZINC000815940094	942015003	/nfs/dbraw/zinc/01/50/03/942015003.db2.gz	JZZYITDBJLZEKK-XLIONFOSSA-N	1	0	372.465	1.847	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21	ZINC001135480255	942109208	/nfs/dbraw/zinc/10/92/08/942109208.db2.gz	YMOZXUAAGIENSZ-RBUKOAKNSA-N	1	0	351.450	1.951	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cn[nH]n3)C2)cc1C#N	ZINC001086740790	942182072	/nfs/dbraw/zinc/18/20/72/942182072.db2.gz	PKKQLMCQTRSPIS-DZGCQCFKSA-N	1	0	354.414	1.373	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3nc(C)nn3C2)C1	ZINC001086765481	942434410	/nfs/dbraw/zinc/43/44/10/942434410.db2.gz	QKNIIZBRNKGESC-RRFJBIMHSA-N	1	0	351.882	1.776	20	30		FDEDRO
Cn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)[nH]c1=O	ZINC001086794301	942535639	/nfs/dbraw/zinc/53/56/39/942535639.db2.gz	MHRKZSGXNBTLPJ-JKSUJKDBSA-N	1	0	353.426	1.686	20	30		FDEDRO
C#C[C@H](NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)C1CCOCC1	ZINC000856109043	970915612	/nfs/dbraw/zinc/91/56/12/970915612.db2.gz	MXQHKSAIOWVHKR-FQEVSTJZSA-N	1	0	355.482	1.592	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ocnc3CC)C2)C1=O	ZINC001086798508	942635086	/nfs/dbraw/zinc/63/50/86/942635086.db2.gz	QYZGZGHVYJROJB-LZWOXQAQSA-N	1	0	360.458	1.512	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)c1	ZINC000817422748	942773398	/nfs/dbraw/zinc/77/33/98/942773398.db2.gz	OAQCKKFBZXSCQK-UHFFFAOYSA-N	1	0	353.466	1.807	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnc(C)n2C2CC2)C1	ZINC001086806236	942803126	/nfs/dbraw/zinc/80/31/26/942803126.db2.gz	JKLCZYMUJHTZIM-IDCNUPLLSA-N	1	0	373.501	1.887	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1C#N	ZINC000817839716	943000909	/nfs/dbraw/zinc/00/09/09/943000909.db2.gz	PPKBEZKTZDOLEL-AWEZNQCLSA-N	1	0	358.442	1.031	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2	ZINC000818133447	943190957	/nfs/dbraw/zinc/19/09/57/943190957.db2.gz	KLOKJZKHRDGIDI-STQMWFEESA-N	1	0	353.806	1.282	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1	ZINC000818588695	943297801	/nfs/dbraw/zinc/29/78/01/943297801.db2.gz	BWSQAYRRXSFZSA-UHFFFAOYSA-N	1	0	365.359	1.971	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@H]1CC(=O)N(c2cccc(SC)c2)C1	ZINC000818611932	943302301	/nfs/dbraw/zinc/30/23/01/943302301.db2.gz	IVAUACHJECDNTR-HNNXBMFYSA-N	1	0	359.495	1.833	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1cc(-c2ccc(OC)c(OC)c2)n[nH]1	ZINC000818615299	943304523	/nfs/dbraw/zinc/30/45/23/943304523.db2.gz	HKJBLJTVVLKCPO-UHFFFAOYSA-N	1	0	356.426	1.779	20	30		FDEDRO
CS(=O)(=O)c1ccc([C@H](O)C[NH2+]CCNc2ccc(C#N)cn2)cc1	ZINC000818952386	943361817	/nfs/dbraw/zinc/36/18/17/943361817.db2.gz	JYBGXDBRAQJPKU-MRXNPFEDSA-N	1	0	360.439	1.092	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(C)ncn3)C2)nn1	ZINC001086823402	943387348	/nfs/dbraw/zinc/38/73/48/943387348.db2.gz	CNHNWEMHOMAZJM-LSDHHAIUSA-N	1	0	355.446	1.251	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCC([C@H](O)C[NH2+]C2CCN(CC#N)CC2)CC1	ZINC000819034550	943409526	/nfs/dbraw/zinc/40/95/26/943409526.db2.gz	NGODDBPUMSUAPZ-QGZVFWFLSA-N	1	0	366.506	1.572	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)cc1	ZINC000819235434	943475600	/nfs/dbraw/zinc/47/56/00/943475600.db2.gz	OQGUCUBASZRLDY-LJQANCHMSA-N	1	0	371.462	1.921	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+]C[C@@H](O)CO[C@H]1CCCc2ccccc21	ZINC000819222402	943495030	/nfs/dbraw/zinc/49/50/30/943495030.db2.gz	QLZGTOQDTGCESH-AEFFLSMTSA-N	1	0	353.484	1.632	20	30		FDEDRO
Cn1ccnc1CN1CCC[C@@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)C1=O	ZINC000819222342	943495167	/nfs/dbraw/zinc/49/51/67/943495167.db2.gz	POJHUHCJVJXDBK-SJORKVTESA-N	1	0	353.426	1.106	20	30		FDEDRO
C[NH+](C)C[C@@H]1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1	ZINC000819284497	943502828	/nfs/dbraw/zinc/50/28/28/943502828.db2.gz	RUTVKWBTTCSTQY-GJZGRUSLSA-N	1	0	352.479	1.984	20	30		FDEDRO
C=C[C@@H]1C[C@@]1(Nc1ncc(C)cc1[C@H]1C[NH2+]C[C@@H]1C(=O)OC)C(=O)OCC	ZINC001170925053	943508629	/nfs/dbraw/zinc/50/86/29/943508629.db2.gz	QPTODIJWYSGDKX-NEVJAFOQSA-N	1	0	373.453	1.786	20	30		FDEDRO
COC(=O)N1CCC(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000819307562	943512211	/nfs/dbraw/zinc/51/22/11/943512211.db2.gz	AAHKBYHKGQOBJE-QGZVFWFLSA-N	1	0	361.442	1.560	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H]([NH2+]C[C@@H](O)c3ccc(C#N)cc3)C2=O)cc1	ZINC000819260288	943515014	/nfs/dbraw/zinc/51/50/14/943515014.db2.gz	RBKCFGMXKZTTAO-VQTJNVASSA-N	1	0	360.417	1.854	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]Cc1cccc(-c2nc(C(=O)OC)cs2)c1	ZINC000819262937	943515783	/nfs/dbraw/zinc/51/57/83/943515783.db2.gz	ZNYBPZVIYJSYAS-UHFFFAOYSA-N	1	0	357.435	1.826	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cnon3)C2)cc1C#N	ZINC001086833907	944009855	/nfs/dbraw/zinc/00/98/55/944009855.db2.gz	MOOXULXZIIJFQM-DZGCQCFKSA-N	1	0	355.398	1.638	20	30		FDEDRO
C#C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ccccc1	ZINC000820600184	944139046	/nfs/dbraw/zinc/13/90/46/944139046.db2.gz	UCDSYITXTCZUFC-ROUUACIJSA-N	1	0	354.454	1.309	20	30		FDEDRO
CON=C(C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1csc(N)n1	ZINC000821812535	944709540	/nfs/dbraw/zinc/70/95/40/944709540.db2.gz	XZMKBORVUNRKDE-VXGBXAGGSA-N	1	0	365.503	1.845	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1	ZINC000821920274	944760702	/nfs/dbraw/zinc/76/07/02/944760702.db2.gz	QPPPFKCFIGWOBB-LSDHHAIUSA-N	1	0	362.474	1.738	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC2(C(=O)OC(C)(C)C)CCOCC2)CC1	ZINC000856392422	971113347	/nfs/dbraw/zinc/11/33/47/971113347.db2.gz	SIKBGNFZJYHPGD-UHFFFAOYSA-N	1	0	350.459	1.339	20	30		FDEDRO
COCCCN(C(=O)C(=NOC)c1csc(N)n1)C1CC[NH+](C)CC1	ZINC000823028234	945386486	/nfs/dbraw/zinc/38/64/86/945386486.db2.gz	BGDVXBWTIAFQFL-UHFFFAOYSA-N	1	0	369.491	1.035	20	30		FDEDRO
COCC(C)(C)[NH+]1CCN(C(=O)NCc2ccc(OC)c(C#N)c2)CC1	ZINC000823371260	945696891	/nfs/dbraw/zinc/69/68/91/945696891.db2.gz	JYPVUQCOIMULMM-UHFFFAOYSA-N	1	0	360.458	1.819	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2cc(F)cc(C#N)c2)C[C@@H]1[NH+]1CCCC1	ZINC000867125162	971169955	/nfs/dbraw/zinc/16/99/55/971169955.db2.gz	UERRKQUSBIBHMW-HOTGVXAUSA-N	1	0	369.487	1.898	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](Cc2cnn(-c3ccc(OC)cc3)c2)CC1	ZINC000823419230	945763373	/nfs/dbraw/zinc/76/33/73/945763373.db2.gz	VBRXASLFWPNHDS-UHFFFAOYSA-N	1	0	352.438	1.842	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)CCC[NH+]1CCCCC1	ZINC001090718743	945961296	/nfs/dbraw/zinc/96/12/96/945961296.db2.gz	OTSDUCUGECLLAB-HZPDHXFCSA-N	1	0	356.474	1.555	20	30		FDEDRO
CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H]1C	ZINC001090720230	945967108	/nfs/dbraw/zinc/96/71/08/945967108.db2.gz	UHGRUUYRHXWHIC-ZYHUDNBSSA-N	1	0	355.895	1.949	20	30		FDEDRO
N#Cc1ccc(OCC[N@@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cc1	ZINC000856537239	971217714	/nfs/dbraw/zinc/21/77/14/971217714.db2.gz	BMKNXBRGENQLKG-ZWKOTPCHSA-N	1	0	350.422	1.787	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1	ZINC001090789680	946666728	/nfs/dbraw/zinc/66/67/28/946666728.db2.gz	JEXGYVUXOLKDIL-CRAIPNDOSA-N	1	0	370.501	1.944	20	30		FDEDRO
C#CCCCCCC(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573282967	946701492	/nfs/dbraw/zinc/70/14/92/946701492.db2.gz	PGQBBEXTGWOQEU-OAHLLOKOSA-N	1	0	367.457	1.788	20	30		FDEDRO
C#CCCCC(=O)NCC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C	ZINC001573283331	946712955	/nfs/dbraw/zinc/71/29/55/946712955.db2.gz	HCFCUTSKSWPQOW-HUUCEWRRSA-N	1	0	367.457	1.644	20	30		FDEDRO
C#CCCCC(=O)NCC[N@H+](Cc1ccc(-c2nn[nH]n2)s1)C1CC1	ZINC001573283452	946714293	/nfs/dbraw/zinc/71/42/93/946714293.db2.gz	IWKIWXAXYBOXNQ-UHFFFAOYSA-N	1	0	358.471	1.812	20	30		FDEDRO
C#CCC[N@@H+](C)Cc1ccccc1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001573283418	946714752	/nfs/dbraw/zinc/71/47/52/946714752.db2.gz	SVUZHKLHTQFGFS-UHFFFAOYSA-N	1	0	363.425	1.580	20	30		FDEDRO
C#CCCCC(=O)NCC[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573284152	946737366	/nfs/dbraw/zinc/73/73/66/946737366.db2.gz	SLZRUSXVSBGYFG-ZDUSSCGKSA-N	1	0	358.421	1.794	20	30		FDEDRO
C#CCCCC(=O)N(C)[C@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573284513	946749450	/nfs/dbraw/zinc/74/94/50/946749450.db2.gz	FKWYQSUZPUQIQE-INIZCTEOSA-N	1	0	370.432	1.842	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573284623	946752811	/nfs/dbraw/zinc/75/28/11/946752811.db2.gz	HXPWFUXOJQIPLZ-QGZVFWFLSA-N	1	0	352.442	1.703	20	30		FDEDRO
C#CCCCC(=O)N1CCC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573285112	946767734	/nfs/dbraw/zinc/76/77/34/946767734.db2.gz	SBOOFJDADFYFOR-INIZCTEOSA-N	1	0	370.432	1.890	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CCCCNc1ncccc1S(=O)(=O)CC	ZINC001171068429	946773129	/nfs/dbraw/zinc/77/31/29/946773129.db2.gz	YEBXIMFIJKMLRW-ZDUSSCGKSA-N	1	0	355.460	1.514	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CCCCNc1cncc(N2CCC([NH3+])CC2)n1	ZINC001171067454	946799866	/nfs/dbraw/zinc/79/98/66/946799866.db2.gz	FNTZYZIHBRDFKE-HNNXBMFYSA-N	1	0	362.478	1.043	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)c1	ZINC001573291684	946922454	/nfs/dbraw/zinc/92/24/54/946922454.db2.gz	IAERYTOUNFBOFJ-SFHVURJKSA-N	1	0	373.420	1.247	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN([C@@H](C)C(=O)N(CC)CC)C[C@H]2O)CC1	ZINC001195876295	971300153	/nfs/dbraw/zinc/30/01/53/971300153.db2.gz	JZMYMXDVCRRVSQ-USXIJHARSA-N	1	0	351.491	1.151	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN([C@@H](C)C(=O)NC(CC)CC)C[C@H]2O)CC1	ZINC001195876590	971300221	/nfs/dbraw/zinc/30/02/21/971300221.db2.gz	PIFPHKQMZAFSSE-BMGDILEWSA-N	1	0	365.518	1.587	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)C1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1	ZINC001573560206	946949643	/nfs/dbraw/zinc/94/96/43/946949643.db2.gz	ABGOOMSAZRUILI-HIFPTAJRSA-N	1	0	354.418	1.025	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573564134	946990323	/nfs/dbraw/zinc/99/03/23/946990323.db2.gz	GIZDMGWQPQRJCB-NWDGAFQWSA-N	1	0	357.393	1.104	20	30		FDEDRO
C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1	ZINC001573294854	946998867	/nfs/dbraw/zinc/99/88/67/946998867.db2.gz	IPQBYFNYWXIJIS-LBPRGKRZSA-N	1	0	363.853	1.731	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC(CN(C)c2cc[nH+]cc2-c2nn[nH]n2)CC1	ZINC001573565161	947002677	/nfs/dbraw/zinc/00/26/77/947002677.db2.gz	NUTUDQIKUDMXOJ-LBPRGKRZSA-N	1	0	354.418	1.096	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573565654	947011298	/nfs/dbraw/zinc/01/12/98/947011298.db2.gz	TVZRCHYAQZRZHK-KPZWWZAWSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573565686	947012884	/nfs/dbraw/zinc/01/28/84/947012884.db2.gz	ULSNLPAGIOVILK-GXTWGEPZSA-N	1	0	371.420	1.446	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[nH]n2)n1	ZINC001573295338	947013247	/nfs/dbraw/zinc/01/32/47/947013247.db2.gz	PGHCNSOEQJCMHJ-UHFFFAOYSA-N	1	0	370.392	1.638	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F	ZINC001573566517	947026627	/nfs/dbraw/zinc/02/66/27/947026627.db2.gz	CRLJPOOGLURJQD-IUODEOHRSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1	ZINC001573566901	947033005	/nfs/dbraw/zinc/03/30/05/947033005.db2.gz	HHNUXXKMZSRRID-TZMCWYRMSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1	ZINC001573566939	947034563	/nfs/dbraw/zinc/03/45/63/947034563.db2.gz	IECPQNFIWMYVQW-OCCSQVGLSA-N	1	0	371.420	1.636	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1	ZINC001573296105	947039918	/nfs/dbraw/zinc/03/99/18/947039918.db2.gz	ZKFXNQSNAAGFAR-NEPJUHHUSA-N	1	0	363.853	1.778	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573567287	947040328	/nfs/dbraw/zinc/04/03/28/947040328.db2.gz	LJTUHQVKORUYNI-HIFRSBDPSA-N	1	0	353.430	1.355	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@](C)(C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CC1	ZINC001573569540	947071738	/nfs/dbraw/zinc/07/17/38/947071738.db2.gz	AWJJGGXDWYVSNW-HWPZZCPQSA-N	1	0	359.459	1.462	20	30		FDEDRO
C=CCCC1(C(=O)N[C@@H]2C[N@@H+](CCCO[C@@H]3CCOC3)C[C@H]2O)CC1	ZINC001195923566	971322732	/nfs/dbraw/zinc/32/27/32/971322732.db2.gz	FXRUNKREKFKQQW-BRWVUGGUSA-N	1	0	352.475	1.090	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O	ZINC001195924436	971324156	/nfs/dbraw/zinc/32/41/56/971324156.db2.gz	VYJBNVODFUDEHZ-DBXWQHBBSA-N	1	0	358.482	1.928	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)n1	ZINC001090842815	947098674	/nfs/dbraw/zinc/09/86/74/947098674.db2.gz	XCPSCLFWLNQCGM-KBRIMQKVSA-N	1	0	356.474	1.472	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1	ZINC001573572091	947108937	/nfs/dbraw/zinc/10/89/37/947108937.db2.gz	FAYHXIIKFYNOGN-ZUZCIYMTSA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CCCC1	ZINC001573572270	947110842	/nfs/dbraw/zinc/11/08/42/947110842.db2.gz	GMSLZTHQGKYESQ-GUYCJALGSA-N	1	0	367.457	1.791	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CCCC1	ZINC001573572272	947111040	/nfs/dbraw/zinc/11/10/40/947111040.db2.gz	GMSLZTHQGKYESQ-SUMWQHHRSA-N	1	0	367.457	1.791	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC(C)(C)C1	ZINC001573573490	947121029	/nfs/dbraw/zinc/12/10/29/947121029.db2.gz	OCEZPPJLMSJAPA-QWHCGFSZSA-N	1	0	368.445	1.533	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@]1(C)CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573573816	947126274	/nfs/dbraw/zinc/12/62/74/947126274.db2.gz	PNSPNZJYUDGIKM-DIFFPNOSSA-N	1	0	357.393	1.246	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573301204	947133316	/nfs/dbraw/zinc/13/33/16/947133316.db2.gz	UAMALJZWUNLYLK-AWEZNQCLSA-N	1	0	358.421	1.909	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCCC1	ZINC001573576044	947148251	/nfs/dbraw/zinc/14/82/51/947148251.db2.gz	CXDNOUWQEZULKG-GFCCVEGCSA-N	1	0	371.420	1.684	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)NC[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21	ZINC001573306009	947164799	/nfs/dbraw/zinc/16/47/99/947164799.db2.gz	IDAJMCAHCUGASJ-NFWAQSGPSA-N	1	0	367.457	1.662	20	30		FDEDRO
C[NH+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H](Nc2cnc(C#N)cn2)C1	ZINC001090853914	947167330	/nfs/dbraw/zinc/16/73/30/947167330.db2.gz	PRGXKIZTLGEVPS-ZWKOTPCHSA-N	1	0	364.453	1.706	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573583073	947197827	/nfs/dbraw/zinc/19/78/27/947197827.db2.gz	IMHLYDRIBYGOBK-NEPJUHHUSA-N	1	0	357.393	1.104	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@@H]1CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573583115	947199739	/nfs/dbraw/zinc/19/97/39/947199739.db2.gz	JSMDAIKCINVXBT-NEPJUHHUSA-N	1	0	357.393	1.104	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1	ZINC001573583371	947203919	/nfs/dbraw/zinc/20/39/19/947203919.db2.gz	LGVOKJAULGZYQP-GFCCVEGCSA-N	1	0	371.420	1.494	20	30		FDEDRO
CC(C)[C@@H](CCNC(=O)[C@@H](C)C#N)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1	ZINC001573583811	947208665	/nfs/dbraw/zinc/20/86/65/947208665.db2.gz	PEIIGKKYWMOQIF-BLLLJJGKSA-N	1	0	373.436	1.786	20	30		FDEDRO
C#CCN1C(=O)C[C@H]([N@@H+]2C[C@@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)C1=O	ZINC000856718837	971345906	/nfs/dbraw/zinc/34/59/06/971345906.db2.gz	PAVDCNDQYDOILK-CKFHNAJUSA-N	1	0	361.442	1.126	20	30		FDEDRO
C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@@H+](Cc1ccc(OC)nc1)C2	ZINC001137033294	947233572	/nfs/dbraw/zinc/23/35/72/947233572.db2.gz	YCPDRNLERMRCCQ-HXUWFJFHSA-N	1	0	358.486	1.773	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cc(C)n[nH]2)C[C@H]1c1ccc(OC)cc1	ZINC001090869121	947383285	/nfs/dbraw/zinc/38/32/85/947383285.db2.gz	RIADRGRQKKCSQU-RBUKOAKNSA-N	1	0	352.438	1.487	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C1	ZINC001573327594	947393242	/nfs/dbraw/zinc/39/32/42/947393242.db2.gz	HPCIQHICWBDTBM-WOSRLPQWSA-N	1	0	355.446	1.696	20	30		FDEDRO
C=CCCC(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573328481	947408731	/nfs/dbraw/zinc/40/87/31/947408731.db2.gz	XBVKTNGTXKGSBS-GOSISDBHSA-N	1	0	374.420	1.025	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnnn2CC)C[C@H]1c1ccc(OC)cc1	ZINC001090871319	947430759	/nfs/dbraw/zinc/43/07/59/947430759.db2.gz	NTLRKTWLGRLTGJ-DLBZAZTESA-N	1	0	353.426	1.138	20	30		FDEDRO
C=CCCCC(=O)NC[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1	ZINC001573335106	947472172	/nfs/dbraw/zinc/47/21/72/947472172.db2.gz	LNLGHLXLJMYRDE-CQSZACIVSA-N	1	0	355.446	1.869	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(F)cn2)C[C@H]1c1ccc(OC)cc1	ZINC001090874987	947485462	/nfs/dbraw/zinc/48/54/62/947485462.db2.gz	YSUVNBLMFKKLIA-VQTJNVASSA-N	1	0	367.424	1.989	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1c1ccc(OC)cc1	ZINC001090875153	947488570	/nfs/dbraw/zinc/48/85/70/947488570.db2.gz	IOYOTUFHDHMLMD-GOEBONIOSA-N	1	0	361.833	1.764	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1c1ccc(OC)cc1	ZINC001090872783	947503779	/nfs/dbraw/zinc/50/37/79/947503779.db2.gz	QNWOSILSZMVUDJ-ZWKOTPCHSA-N	1	0	355.442	1.447	20	30		FDEDRO
COC(=O)c1cc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)n2c1CCCC2	ZINC000856770428	971389349	/nfs/dbraw/zinc/38/93/49/971389349.db2.gz	JTIHYSQSMFNUCO-ISLYRVAYSA-N	1	0	372.425	1.227	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573336976	947512210	/nfs/dbraw/zinc/51/22/10/947512210.db2.gz	SFBGCUZMVYJTDD-MRXNPFEDSA-N	1	0	356.430	1.150	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1	ZINC001573337432	947517890	/nfs/dbraw/zinc/51/78/90/947517890.db2.gz	XLQYXOKEMNIESP-CQSZACIVSA-N	1	0	371.445	1.200	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCCC(=O)N2)C[C@H]1c1ccc(OC)cc1	ZINC001090875980	947551895	/nfs/dbraw/zinc/55/18/95/947551895.db2.gz	LILPIZNOSXKLGM-NZSAHSFTSA-N	1	0	371.481	1.824	20	30		FDEDRO
C=CCOCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573348627	947586922	/nfs/dbraw/zinc/58/69/22/947586922.db2.gz	SKRJBOAPJGEIGA-UKRRQHHQSA-N	1	0	373.461	1.276	20	30		FDEDRO
C=CCOCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1	ZINC001573349131	947592365	/nfs/dbraw/zinc/59/23/65/947592365.db2.gz	ZHIYQFLTVDAJPZ-KGLIPLIRSA-N	1	0	373.461	1.228	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](c3ccc(OC)cc3)[C@H]([NH2+][C@@H](C)C(N)=O)C2)C1	ZINC001090880767	947595242	/nfs/dbraw/zinc/59/52/42/947595242.db2.gz	JAJXOJLVRBRDBX-JCGIZDLHSA-N	1	0	371.481	1.809	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](c3ccc(OC)cc3)[C@H]([NH2+][C@H](C)C(N)=O)C2)C1	ZINC001090880766	947595629	/nfs/dbraw/zinc/59/56/29/947595629.db2.gz	JAJXOJLVRBRDBX-FHLIZLRMSA-N	1	0	371.481	1.809	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1cccc(-c2nn[nH]n2)c1	ZINC001573352061	947626061	/nfs/dbraw/zinc/62/60/61/947626061.db2.gz	ZCSYHQUUUYRWDZ-ZACQAIPSSA-N	1	0	370.457	1.442	20	30		FDEDRO
C[N@H+](C[C@H](O)CCNC(=O)OC(C)(C)C)C[C@@H](O)c1cccc(C#N)c1	ZINC000844371624	947999747	/nfs/dbraw/zinc/99/97/47/947999747.db2.gz	PCTITFKNGCAAMU-IAGOWNOFSA-N	1	0	363.458	1.799	20	30		FDEDRO
C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C[C@H](O)c1cccc(C#N)c1	ZINC000844368244	948017977	/nfs/dbraw/zinc/01/79/77/948017977.db2.gz	XHIYVIWESQITJV-ZDUSSCGKSA-N	1	0	372.347	1.302	20	30		FDEDRO
CC[C@H](C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1OC)[NH+](CC)CC	ZINC001090945897	948066996	/nfs/dbraw/zinc/06/69/96/948066996.db2.gz	YAOORVBGQULJPD-BRWVUGGUSA-N	1	0	359.474	1.393	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@H]2C[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)CC1	ZINC001144002526	948094803	/nfs/dbraw/zinc/09/48/03/948094803.db2.gz	BMDWXYCCTBMGLU-LJISPDSOSA-N	1	0	362.474	1.640	20	30		FDEDRO
N#Cc1cncc(C[N@H+]2CCc3nnc(CN4CCCCC4)n3CC2)c1	ZINC001144080169	948200115	/nfs/dbraw/zinc/20/01/15/948200115.db2.gz	XGLSQDDWCKECAO-UHFFFAOYSA-N	1	0	351.458	1.589	20	30		FDEDRO
COC(=O)c1cc2c(nc1N(C)C)CC[N@H+](Cc1ccc(C#N)cn1)CC2	ZINC001144158552	948301465	/nfs/dbraw/zinc/30/14/65/948301465.db2.gz	KXZHGYBAAUWHIR-UHFFFAOYSA-N	1	0	365.437	1.802	20	30		FDEDRO
C=CCN1CCN(CN2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)C1=O	ZINC000844733389	948374608	/nfs/dbraw/zinc/37/46/08/948374608.db2.gz	XFALKHPRKBQZEJ-PMACEKPBSA-N	1	0	370.497	1.843	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1Nc1cnc(C#N)cn1	ZINC001091008819	948433120	/nfs/dbraw/zinc/43/31/20/948433120.db2.gz	JBTPQDNTGPWLMN-RHSMWYFYSA-N	1	0	365.441	1.529	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)CC1	ZINC000844926663	948510754	/nfs/dbraw/zinc/51/07/54/948510754.db2.gz	JEYYZWAZRAOSTC-GOSISDBHSA-N	1	0	360.458	1.344	20	30		FDEDRO
C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1	ZINC001196116439	971488329	/nfs/dbraw/zinc/48/83/29/971488329.db2.gz	ZGTJDAVUVABTSS-MGPQQGTHSA-N	1	0	362.312	1.177	20	30		FDEDRO
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000844953476	948568476	/nfs/dbraw/zinc/56/84/76/948568476.db2.gz	KUEGUVVVCRZGPY-BZSNNMDCSA-N	1	0	358.442	1.096	20	30		FDEDRO
Cc1nc(N2C[C@H]3OCCN(C(=O)C4(C[NH+](C)C)CC4)[C@H]3C2)ccc1C#N	ZINC001091057042	948819552	/nfs/dbraw/zinc/81/95/52/948819552.db2.gz	YSNBOPZPDPENFL-DLBZAZTESA-N	1	0	369.469	1.020	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)c2cncc(=O)[nH]2)[C@H]2CC[C@H]([NH3+])CC2)cc1	ZINC001196171678	971520155	/nfs/dbraw/zinc/52/01/55/971520155.db2.gz	KYTNOZJERBUXAX-WKILWMFISA-N	1	0	351.410	1.554	20	30		FDEDRO
CC(=O)N[C@@H](CS)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1	ZINC001144406859	948981714	/nfs/dbraw/zinc/98/17/14/948981714.db2.gz	VUNPDWOSHDPLEK-IHRRRGAJSA-N	1	0	368.528	1.000	20	30		FDEDRO
CC[NH+]1CCC(CC2CCN(C(=O)[C@H](CS)NC(C)=O)CC2)CC1	ZINC001144409051	948988949	/nfs/dbraw/zinc/98/89/49/948988949.db2.gz	GCFKVLIJAVZBRA-KRWDZBQOSA-N	1	0	355.548	1.782	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)[C@H](CS)NC(C)=O)cc2F)CC1	ZINC001144410765	948996042	/nfs/dbraw/zinc/99/60/42/948996042.db2.gz	BQKVUQYVYVLNNY-HNNXBMFYSA-N	1	0	368.478	1.341	20	30		FDEDRO
C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1C[C@H](OCCO)[C@H]2OC(C)(C)O[C@@H]12	ZINC001171186844	949366049	/nfs/dbraw/zinc/36/60/49/949366049.db2.gz	ZKIBXKDAMMADDL-RBPQIDMKSA-N	1	0	360.454	1.749	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2ccc(C[C@H]3NC(=O)NC3=O)cc2)CC1	ZINC000775702143	971583866	/nfs/dbraw/zinc/58/38/66/971583866.db2.gz	JUAJFCLGLWEJHK-MRXNPFEDSA-N	1	0	371.441	1.209	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CS(=O)(=O)NC(C)(C)C)C2	ZINC001110113728	949777306	/nfs/dbraw/zinc/77/73/06/949777306.db2.gz	FRQWSIAPSFTRCL-ILXRZTDVSA-N	1	0	357.520	1.392	20	30		FDEDRO
C#Cc1ccc(C[NH+]2CCC3(CC2)COCCN(CC(=O)N(C)C)C3)cc1	ZINC001144572444	949954225	/nfs/dbraw/zinc/95/42/25/949954225.db2.gz	ZEPVVLCHQIUFGW-UHFFFAOYSA-N	1	0	369.509	1.671	20	30		FDEDRO
C#Cc1ccc(CN2CCOC[C@@]3(CN(C(=O)C(C)C)CCO3)C2)cc1	ZINC001144573234	949955621	/nfs/dbraw/zinc/95/56/21/949955621.db2.gz	DVNZLRHXWGZHDO-NRFANRHFSA-N	1	0	356.466	1.754	20	30		FDEDRO
C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[N@H+](C)Cc1cccc(C#N)c1	ZINC001574975503	950032407	/nfs/dbraw/zinc/03/24/07/950032407.db2.gz	HXMVJZAFQRZSQN-LBPRGKRZSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1cc(C#N)ccc1F	ZINC001574977563	950121796	/nfs/dbraw/zinc/12/17/96/950121796.db2.gz	LGSLHGZZWVJMKZ-JTQLQIEISA-N	1	0	368.376	1.114	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)NCCC[N@@H+](C)CC(C)C)c(F)c1	ZINC000846016449	950336436	/nfs/dbraw/zinc/33/64/36/950336436.db2.gz	XGYKMFVPLRHJRX-UHFFFAOYSA-N	1	0	351.397	1.979	20	30		FDEDRO
C[C@H](CNC(=O)c1cc(C#N)c[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1	ZINC001574995705	950516871	/nfs/dbraw/zinc/51/68/71/950516871.db2.gz	HHBTVGNENMLVGT-SECBINFHSA-N	1	0	356.415	1.036	20	30		FDEDRO
CNC(=O)CO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@H](C)Cc1cccc(C#N)c1)C2	ZINC001171212459	950518394	/nfs/dbraw/zinc/51/83/94/950518394.db2.gz	MYUUYDANPHLARY-PBEJRMEISA-N	1	0	371.481	1.875	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([N@@H+](CCO)CCCOC)CC1	ZINC001098495431	950876793	/nfs/dbraw/zinc/87/67/93/950876793.db2.gz	UOGOOOQFADBJFE-OALUTQOASA-N	1	0	368.518	1.680	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](O)CCc2ccccc2)C[C@H]1O	ZINC001196473865	971701393	/nfs/dbraw/zinc/70/13/93/971701393.db2.gz	COHQXBNGVCNVPI-GUDVDZBRSA-N	1	0	360.498	1.744	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N1CC[C@H]2CCN(c3cnc(C#N)cn3)[C@H]2C1	ZINC001091216362	950998277	/nfs/dbraw/zinc/99/82/77/950998277.db2.gz	GOTCNTDFHGWKTK-RDJZCZTQSA-N	1	0	356.474	1.507	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2	ZINC001110115039	951146461	/nfs/dbraw/zinc/14/64/61/951146461.db2.gz	MRQRWNQBWANXHP-SQNIBIBYSA-N	1	0	362.518	1.276	20	30		FDEDRO
C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC(NC(=O)N2CCOCC2)CC1	ZINC001171230707	951258430	/nfs/dbraw/zinc/25/84/30/951258430.db2.gz	GCXSQWKWWUGSFU-MRXNPFEDSA-N	1	0	356.470	1.995	20	30		FDEDRO
C=CCOC[C@@H](O)C[NH2+][C@@H]1Cc2ccc(I)cc2C1	ZINC001252488358	971748113	/nfs/dbraw/zinc/74/81/13/971748113.db2.gz	LHHMGBRTWPDVQP-CABCVRRESA-N	1	0	373.234	1.912	20	30		FDEDRO
CC(C)[NH+](CCNC(=O)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)C(C)C	ZINC000846719110	951480199	/nfs/dbraw/zinc/48/01/99/951480199.db2.gz	GVNLTEHSUJHFST-GOSISDBHSA-N	1	0	374.485	1.285	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[C@@]2(C)C[C@]2(F)Cl)CC1	ZINC000846727759	951498722	/nfs/dbraw/zinc/49/87/22/951498722.db2.gz	BPEVNQCRDBNLBN-DLBZAZTESA-N	1	0	359.873	1.964	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCN1C(=O)C(C)C)C2	ZINC001110116364	951544667	/nfs/dbraw/zinc/54/46/67/951544667.db2.gz	HTDKFJOLUKOJGU-VSZNYVQBSA-N	1	0	363.502	1.558	20	30		FDEDRO
Cc1cnc(N2CCC(C[NH3+])CC2)nc1NC(=N)c1ccc(C(N)=O)cc1	ZINC001171252598	951559676	/nfs/dbraw/zinc/55/96/76/951559676.db2.gz	LLWGRPYYTIJXGD-UHFFFAOYSA-N	1	0	367.457	1.096	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ccc(C)o4)C[C@]3(C)C2)C1=O	ZINC001091458449	951820829	/nfs/dbraw/zinc/82/08/29/951820829.db2.gz	YYVDKRYYRSVTPT-GUXCAODWSA-N	1	0	357.454	1.769	20	30		FDEDRO
C[C@]12CN(C(=O)CN3CCCC3=O)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001091467878	951842740	/nfs/dbraw/zinc/84/27/40/951842740.db2.gz	CRIHBVSITDWCLI-NQIIRXRSSA-N	1	0	366.465	1.461	20	30		FDEDRO
Cn1nccc1C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@]2(C)C1	ZINC001091534515	951957277	/nfs/dbraw/zinc/95/72/77/951957277.db2.gz	ZYKZGQBUTGOPRL-ACJLOTCBSA-N	1	0	355.467	1.947	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]1C[N@H+](Cc1ccc(C#N)s1)C2	ZINC001091539560	951971310	/nfs/dbraw/zinc/97/13/10/951971310.db2.gz	KJKDDLCLXSIUGI-DWQUBVKVSA-N	1	0	358.467	1.179	20	30		FDEDRO
C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@H]1C[NH+](C)C	ZINC001146223343	952002705	/nfs/dbraw/zinc/00/27/05/952002705.db2.gz	VSERZHCCVMWUSH-QWQRMKEZSA-N	1	0	353.463	1.245	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cnccc4C)C[C@]3(C)C2)C1=O	ZINC001091562752	952078714	/nfs/dbraw/zinc/07/87/14/952078714.db2.gz	HKUIJHXYECUSDA-BLIXFSHQSA-N	1	0	368.481	1.571	20	30		FDEDRO
Cc1cc(C#N)nc(N[C@@H]2CC[C@H](CNC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1	ZINC001091593121	952182926	/nfs/dbraw/zinc/18/29/26/952182926.db2.gz	GLDLLVISVHUCMX-HRCADAONSA-N	1	0	356.474	1.695	20	30		FDEDRO
Cc1cc(C#N)nc(N[C@@H]2CC[C@H](CNC(=O)[C@@H](C3CC3)[NH+](C)C)C2)n1	ZINC001091611701	952290869	/nfs/dbraw/zinc/29/08/69/952290869.db2.gz	ZLJRWLNZGHCBGZ-YSVLISHTSA-N	1	0	356.474	1.694	20	30		FDEDRO
C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CC[N@@H+](CCOC)C3)[nH]n2)c1C	ZINC001147026149	952291169	/nfs/dbraw/zinc/29/11/69/952291169.db2.gz	FUXPVWMYARIMEF-OAHLLOKOSA-N	1	0	372.473	1.527	20	30		FDEDRO
CN1CCOC[C@@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@@]2(C)C1	ZINC001091611992	952292520	/nfs/dbraw/zinc/29/25/20/952292520.db2.gz	KRKXCVZTXCPBPV-SBHAEUEKSA-N	1	0	368.481	1.169	20	30		FDEDRO
Cn1nccc1CC(=O)N1C[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@@]2(C)C1	ZINC001091629871	952386651	/nfs/dbraw/zinc/38/66/51/952386651.db2.gz	OTAZBESIKRFLEC-KNQAVFIVSA-N	1	0	362.477	1.795	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4[nH]ccc4C)C[C@]3(C)C2)C1=O	ZINC001091640812	952441013	/nfs/dbraw/zinc/44/10/13/952441013.db2.gz	YWJOEWUZJBBBSP-QINHECLXSA-N	1	0	356.470	1.504	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2cc(F)cc(C#N)c2)CCCO1	ZINC000867191306	971836059	/nfs/dbraw/zinc/83/60/59/971836059.db2.gz	NNSGZNLJVQUPKS-CYBMUJFWSA-N	1	0	355.435	1.477	20	30		FDEDRO
C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1C[N@H+](Cc1ccc(C(N)=O)cc1)C2	ZINC001091660572	952522485	/nfs/dbraw/zinc/52/24/85/952522485.db2.gz	NHWMXAKAECHDFC-NQIIRXRSSA-N	1	0	351.450	1.479	20	30		FDEDRO
COc1cccc(NC(=O)C[C@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)c1	ZINC000772985344	952578102	/nfs/dbraw/zinc/57/81/02/952578102.db2.gz	QWPGIMPBWJAZAQ-UNQMGURYSA-N	1	0	372.425	1.528	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccn(C4CCOCC4)n3)C[C@]2(C)C1	ZINC001091670453	952580022	/nfs/dbraw/zinc/58/00/22/952580022.db2.gz	OLTXLQQEPUTJJU-UZLBHIALSA-N	1	0	356.470	1.652	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)C[C@]2(C)C1	ZINC001091695170	952651268	/nfs/dbraw/zinc/65/12/68/952651268.db2.gz	AFTGUYRAWVCMKZ-OPYAIIAOSA-N	1	0	359.514	1.991	20	30		FDEDRO
C[C@]12CN(C(=O)Cn3nccn3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1F)C2	ZINC001091703471	952673100	/nfs/dbraw/zinc/67/31/00/952673100.db2.gz	CGOLFQNJNKXEAH-APWZRJJASA-N	1	0	368.416	1.269	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3[nH]c(C)c(C(N)=O)c3CC)C[C@]2(C)C1	ZINC001091735087	952754177	/nfs/dbraw/zinc/75/41/77/952754177.db2.gz	IPCOIYAFMHVNLN-VLIAUNLRSA-N	1	0	358.486	1.954	20	30		FDEDRO
C[C@]12CN(C(=O)C[C@@H]3CCNC3=O)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001091734136	952759417	/nfs/dbraw/zinc/75/94/17/952759417.db2.gz	MYCKBAHRZINKCT-UEXGIBASSA-N	1	0	366.465	1.365	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(NC(N)=[NH2+])cc2)C[C@H]1C#N	ZINC001148645538	952762486	/nfs/dbraw/zinc/76/24/86/952762486.db2.gz	AVGPVYNMRNNMIW-CQSZACIVSA-N	1	0	372.429	1.577	20	30		FDEDRO
CC(C)Oc1ccc(C(=O)NC[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])cc1C#N	ZINC001148777717	952783809	/nfs/dbraw/zinc/78/38/09/952783809.db2.gz	SKCVPFDXRGETOA-LMMKCTJWSA-N	1	0	361.442	1.800	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCC(F)(F)F)C[C@@]2(C)C1	ZINC001091749756	952788936	/nfs/dbraw/zinc/78/89/36/952788936.db2.gz	PEXOHUQFFGZLML-VYDXJSESSA-N	1	0	357.420	1.817	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NC[C@H]1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1	ZINC001086849580	952855697	/nfs/dbraw/zinc/85/56/97/952855697.db2.gz	QOMGTTRKXOYUDT-RRFJBIMHSA-N	1	0	358.442	1.023	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCOC2)C1	ZINC001086855726	952867650	/nfs/dbraw/zinc/86/76/50/952867650.db2.gz	PKMDYGSTNZWBRR-YESZJQIVSA-N	1	0	357.454	1.618	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cn(C(C)C)nn3)C2)cn1	ZINC001086857682	952875927	/nfs/dbraw/zinc/87/59/27/952875927.db2.gz	PXDVPJGXWWEQEN-MAUKXSAKSA-N	1	0	366.469	1.924	20	30		FDEDRO
CC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001086858044	952878246	/nfs/dbraw/zinc/87/82/46/952878246.db2.gz	LKWOKGGLZCQWAQ-DBVUQKKJSA-N	1	0	368.481	1.944	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnn(C)c2)C1	ZINC001086856600	952903474	/nfs/dbraw/zinc/90/34/74/952903474.db2.gz	JVOWSJVLOFASJL-DOTOQJQBSA-N	1	0	367.453	1.515	20	30		FDEDRO
CN1C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)CCC1=O	ZINC001086883639	952935702	/nfs/dbraw/zinc/93/57/02/952935702.db2.gz	QNOZZQGRYPGJAS-IPMKNSEASA-N	1	0	368.481	1.801	20	30		FDEDRO
C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C2)CC1	ZINC001086933026	952947243	/nfs/dbraw/zinc/94/72/43/952947243.db2.gz	BAKKCFSMYNMEJI-ZACQAIPSSA-N	1	0	363.502	1.689	20	30		FDEDRO
Cc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2c2cnn(C)c2)c(C)n1	ZINC001086970665	952972420	/nfs/dbraw/zinc/97/24/20/952972420.db2.gz	DBAHZGODZYNJGS-FASAQXTFSA-N	1	0	366.469	1.676	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2[NH2+]CC[C@H]2CCCO2)cn1	ZINC001086978108	952989546	/nfs/dbraw/zinc/98/95/46/952989546.db2.gz	DTSIKRAGOBXXCX-CEXWTWQISA-N	1	0	356.470	1.287	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2[NH2+]CCC2CCOCC2)cn1	ZINC001086978228	952989900	/nfs/dbraw/zinc/98/99/00/952989900.db2.gz	LFLKFDYGNCXUKP-VQTJNVASSA-N	1	0	370.497	1.534	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnc3nccnc3c2)C[C@H]1c1cnn(C)c1	ZINC001086982458	952995179	/nfs/dbraw/zinc/99/51/79/952995179.db2.gz	KPLKDAXYQYDVRE-DOTOQJQBSA-N	1	0	363.425	1.142	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2cnccc2OC)C[C@H]1c1cnn(C)c1	ZINC001086984090	952998412	/nfs/dbraw/zinc/99/84/12/952998412.db2.gz	ZNCRJYWRTUMMCF-ZWKOTPCHSA-N	1	0	369.469	1.527	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(COC)cs2)C[C@H]1c1cnn(C)c1	ZINC001086986634	953007513	/nfs/dbraw/zinc/00/75/13/953007513.db2.gz	ZJQQPNOFNBVUSP-JKSUJKDBSA-N	1	0	358.467	1.459	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccnc3[nH]c(C)nc32)C[C@H]1c1cnn(C)c1	ZINC001086988782	953012826	/nfs/dbraw/zinc/01/28/26/953012826.db2.gz	RHGQSZVMJOPGJV-JKSUJKDBSA-N	1	0	365.441	1.384	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2occ3c2CCOC3)C[C@H]1c1cnn(C)c1	ZINC001086989706	953015716	/nfs/dbraw/zinc/01/57/16/953015716.db2.gz	PFMNAYMZZHCYHX-DLBZAZTESA-N	1	0	356.426	1.470	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2OCCc3ccccc32)C[C@H]1c1cnn(C)c1	ZINC001086990129	953016646	/nfs/dbraw/zinc/01/66/46/953016646.db2.gz	LMJYCLMLERTMME-XUVXKRRUSA-N	1	0	366.465	1.804	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+][C@@H](CC)C(N)=O)C1	ZINC001086990511	953017888	/nfs/dbraw/zinc/01/78/88/953017888.db2.gz	GLQHMQFSZYSYBT-HRCADAONSA-N	1	0	361.490	1.170	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cnc3n2CCCC3)C[C@H]1c1cnn(C)c1	ZINC001086993305	953026636	/nfs/dbraw/zinc/02/66/36/953026636.db2.gz	RVXHEHGUFAPEMT-DLBZAZTESA-N	1	0	368.485	1.727	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3ccc(F)cc32)C[C@H]1c1cnn(C)c1	ZINC001086993713	953027393	/nfs/dbraw/zinc/02/73/93/953027393.db2.gz	ODLKBYAMAWUTHO-CEXWTWQISA-N	1	0	354.429	1.969	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2ncccc2OC)C[C@H]1c1cnn(C)c1	ZINC001086993709	953027515	/nfs/dbraw/zinc/02/75/15/953027515.db2.gz	NVGSJXJQRDAGBZ-DOTOQJQBSA-N	1	0	355.442	1.136	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3cnc(C)n3C2)C[C@H]1c1cnn(C)c1	ZINC001086993801	953028169	/nfs/dbraw/zinc/02/81/69/953028169.db2.gz	SDPQHGQMYRXKID-AYOQOUSVSA-N	1	0	368.485	1.258	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)NC(=O)C3)C[C@H]1c1cnn(C)c1	ZINC001086980251	953029349	/nfs/dbraw/zinc/02/93/49/953029349.db2.gz	SKDAQHCGQCFDRE-FUHWJXTLSA-N	1	0	365.437	1.299	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c3c(nn2C)CCCC3)C[C@H]1c1cnn(C)c1	ZINC001086980933	953031375	/nfs/dbraw/zinc/03/13/75/953031375.db2.gz	FERYZVZNGFKHLQ-FUHWJXTLSA-N	1	0	368.485	1.416	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccnn2CC(C)C)C[C@H]1c1cnn(C)c1	ZINC001086981496	953033085	/nfs/dbraw/zinc/03/30/85/953033085.db2.gz	MMJFAVNFQOCIJD-DLBZAZTESA-N	1	0	354.458	1.104	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cc2C)C[C@H]1c1cnn(C)c1	ZINC001086996220	953036090	/nfs/dbraw/zinc/03/60/90/953036090.db2.gz	UNIBQLDXAYYWMB-DLBZAZTESA-N	1	0	355.442	1.603	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]Cc3ccnn3C)C2)C1	ZINC001086996170	953036289	/nfs/dbraw/zinc/03/62/89/953036289.db2.gz	RCSLMXRRGVZWCL-ZWKOTPCHSA-N	1	0	368.485	1.594	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(CC)cn2)C[C@H]1c1cnn(C)c1	ZINC001086997970	953041780	/nfs/dbraw/zinc/04/17/80/953041780.db2.gz	KSWJXLFKTBIPGY-RBUKOAKNSA-N	1	0	353.470	1.690	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cn2ccnc2C(C)C)C[C@H]1c1cnn(C)c1	ZINC001087000472	953049940	/nfs/dbraw/zinc/04/99/40/953049940.db2.gz	XRXDARLAKGBRGJ-DLBZAZTESA-N	1	0	356.474	1.510	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnc(C3CC3)nc2)C[C@H]1c1cnn(C)c1	ZINC001087000774	953051859	/nfs/dbraw/zinc/05/18/59/953051859.db2.gz	NEZJGVXJBAUPJI-DLBZAZTESA-N	1	0	352.442	1.471	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cnn(CC)c2C)C[C@H]1c1cnn(C)c1	ZINC001087003349	953059447	/nfs/dbraw/zinc/05/94/47/953059447.db2.gz	RWYQEFPHUOCSDI-ZWKOTPCHSA-N	1	0	356.474	1.719	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCC)C1	ZINC001087005022	953063496	/nfs/dbraw/zinc/06/34/96/953063496.db2.gz	INHBXKZZCVUSMP-DLBZAZTESA-N	1	0	369.469	1.988	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnn(CC3CC3)c2)C[C@H]1c1cnn(C)c1	ZINC001087005261	953064070	/nfs/dbraw/zinc/06/40/70/953064070.db2.gz	UGMDPJDOABKDKF-ZWKOTPCHSA-N	1	0	354.458	1.410	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2sccc2COC)C[C@H]1c1cnn(C)c1	ZINC001087005500	953064710	/nfs/dbraw/zinc/06/47/10/953064710.db2.gz	GPYOEGXSQIIYPH-JKSUJKDBSA-N	1	0	358.467	1.459	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCn2cccn2)C1	ZINC001086995113	953067098	/nfs/dbraw/zinc/06/70/98/953067098.db2.gz	MCLPKTSELUKAJM-NLWGTHIKSA-N	1	0	370.501	1.803	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCn2cncn2)C1	ZINC001086995098	953067252	/nfs/dbraw/zinc/06/72/52/953067252.db2.gz	LMLNUGWTPJUYGP-YQVWRLOYSA-N	1	0	371.489	1.198	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CC(C)C)C[C@H]2OCC)C1=O	ZINC001087019868	953081830	/nfs/dbraw/zinc/08/18/30/953081830.db2.gz	SIBOVHPEWBYDMC-IXDOHACOSA-N	1	0	351.491	1.273	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3c(cccc3C)O2)C[C@H]1c1cnn(C)c1	ZINC001087006309	953090170	/nfs/dbraw/zinc/09/01/70/953090170.db2.gz	UQFQLIAGZOAADJ-NLWGTHIKSA-N	1	0	364.449	1.249	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(F)cc2)C[C@H]1c1cnn(C)c1	ZINC001087008855	953096100	/nfs/dbraw/zinc/09/61/00/953096100.db2.gz	AFIBEUYPQCXJKK-MDASCCDHSA-N	1	0	370.428	1.544	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc3c([nH]c2=O)CCC3)C[C@H]1c1cnn(C)c1	ZINC001087009371	953097717	/nfs/dbraw/zinc/09/77/17/953097717.db2.gz	CDFUDGYEJOXODT-FUHWJXTLSA-N	1	0	367.453	1.393	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccnc2N(C)C)C[C@H]1c1cnn(C)c1	ZINC001087009479	953098641	/nfs/dbraw/zinc/09/86/41/953098641.db2.gz	IBCJRSUWJVXHEH-DLBZAZTESA-N	1	0	354.458	1.265	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC(C)C)cn2)C[C@H]1c1cnn(C)c1	ZINC001087012522	953107208	/nfs/dbraw/zinc/10/72/08/953107208.db2.gz	BOKSPKSJMVAPJY-PKOBYXMFSA-N	1	0	369.469	1.986	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001087033315	953134466	/nfs/dbraw/zinc/13/44/66/953134466.db2.gz	OHFPOBSIHRNFFN-JJRVBVJISA-N	1	0	363.483	1.609	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1cc(OC)ns1	ZINC001087035568	953145111	/nfs/dbraw/zinc/14/51/11/953145111.db2.gz	FREGNDRKCGLLEA-OUCADQQQSA-N	1	0	352.460	1.264	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C[C@H]2CCOC2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087037323	953150063	/nfs/dbraw/zinc/15/00/63/953150063.db2.gz	GFVXAIWPYWKEAA-VAMGGRTRSA-N	1	0	371.481	1.938	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1nccn1CC	ZINC001087039920	953156377	/nfs/dbraw/zinc/15/63/77/953156377.db2.gz	JRLMIRJYRVTUSN-NVXWUHKLSA-N	1	0	370.457	1.370	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](O)C(C)C)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001087050574	953178609	/nfs/dbraw/zinc/17/86/09/953178609.db2.gz	HBLRKMIUWPSJOW-KBRIMQKVSA-N	1	0	365.499	1.590	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087055838	953189522	/nfs/dbraw/zinc/18/95/22/953189522.db2.gz	GLTITRPTBGRKHM-HDAAZOAOSA-N	1	0	369.465	1.548	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1cn(C)nc1C	ZINC001087045928	953192678	/nfs/dbraw/zinc/19/26/78/953192678.db2.gz	ACXPSCYWGGOAFT-CRAIPNDOSA-N	1	0	370.457	1.195	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cncn2C)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087065055	953214044	/nfs/dbraw/zinc/21/40/44/953214044.db2.gz	IDSAPAXWNQNRRD-IEBWSBKVSA-N	1	0	367.453	1.559	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]C[C@H]3CCOC3)[C@H](OCC)C2)cc1	ZINC001087071371	953225196	/nfs/dbraw/zinc/22/51/96/953225196.db2.gz	MJRGLHKJSNSOML-MISYRCLQSA-N	1	0	356.466	1.771	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H]2CCN(C(C)C)C2=O)[C@H](OCC)C1	ZINC001087071750	953226591	/nfs/dbraw/zinc/22/65/91/953226591.db2.gz	BOGRSJWPFHCRAN-IXDOHACOSA-N	1	0	365.518	1.661	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]Cc3cnns3)[C@H](OCC)C2)C1	ZINC001087082669	953241354	/nfs/dbraw/zinc/24/13/54/953241354.db2.gz	VKQJBUXCSCOHDO-UKRRQHHQSA-N	1	0	350.488	1.848	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccncn2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001087092551	953257273	/nfs/dbraw/zinc/25/72/73/953257273.db2.gz	RSDJHRRTIBKQFO-CXAGYDPISA-N	1	0	371.466	1.677	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ncc(C)o3)[C@H](OCC)C2)nc1	ZINC001087097404	953284412	/nfs/dbraw/zinc/28/44/12/953284412.db2.gz	NTQXRNBKAALIMF-SJLPKXTDSA-N	1	0	368.437	1.626	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]C[C@H]3CCCCO3)[C@H](OCC)C2)nc1	ZINC001087097439	953284752	/nfs/dbraw/zinc/28/47/52/953284752.db2.gz	PTUNDZYMVNVBLP-QWFCFKBJSA-N	1	0	371.481	1.699	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@]3(C)C2)cc1	ZINC001091793439	953316846	/nfs/dbraw/zinc/31/68/46/953316846.db2.gz	GWPNVTRSBGHWBZ-MMOPVJDHSA-N	1	0	369.465	1.534	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CCN1c1ccnc(C#N)n1	ZINC001091831381	953371953	/nfs/dbraw/zinc/37/19/53/953371953.db2.gz	ATLHVJIACPHHRK-OWCLPIDISA-N	1	0	356.474	1.696	20	30		FDEDRO
Cn1cncc1C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@]2(C)C1	ZINC001091825726	953499583	/nfs/dbraw/zinc/49/95/83/953499583.db2.gz	ODROJEAWNBPRRY-ACJLOTCBSA-N	1	0	355.467	1.947	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3cncc(-n4ccnn4)c3)C[C@]2(C)C1	ZINC001091883374	953517747	/nfs/dbraw/zinc/51/77/47/953517747.db2.gz	HNZDTFJZXIDOND-APWZRJJASA-N	1	0	352.442	1.632	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1C[C@H]2CCN(c3cncc(C#N)n3)C[C@H]2C1	ZINC001091859563	953581012	/nfs/dbraw/zinc/58/10/12/953581012.db2.gz	LZACXFMJKFXHFI-CVEARBPZSA-N	1	0	356.474	1.365	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CCN(c3ccncc3C#N)C[C@H]2C1	ZINC001091865073	953608857	/nfs/dbraw/zinc/60/88/57/953608857.db2.gz	CNZLDLAOIDVKTN-WBVHZDCISA-N	1	0	355.486	1.968	20	30		FDEDRO
Cc1nc(N2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)C[C@@H]3C2)ccc1C#N	ZINC001091870301	953626035	/nfs/dbraw/zinc/62/60/35/953626035.db2.gz	LMJVTBGZWWMWDD-MSOLQXFVSA-N	1	0	367.497	1.888	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N2C[C@H]3CCN(c4ccc(C#N)nc4)C[C@H]3C2)CC1	ZINC001091870449	953626754	/nfs/dbraw/zinc/62/67/54/953626754.db2.gz	SOYWDCMTUKXHFJ-CVEARBPZSA-N	1	0	353.470	1.580	20	30		FDEDRO
C[C@]1(C(=O)N2C[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@@]3(C)C2)CNC(=O)C1	ZINC001091876373	953646116	/nfs/dbraw/zinc/64/61/16/953646116.db2.gz	OIROCPWCQONVDJ-QIJUGHKUSA-N	1	0	365.477	1.345	20	30		FDEDRO
Cc1n[nH]nc1C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@]2(C)C1	ZINC001091906662	953679976	/nfs/dbraw/zinc/67/99/76/953679976.db2.gz	XSVCWEYJQOYUGA-PXAZEXFGSA-N	1	0	356.455	1.640	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)C[C@]2(C)C1	ZINC001091893042	953728537	/nfs/dbraw/zinc/72/85/37/953728537.db2.gz	ATZGLAJXGLTNHY-KUHUBIRLSA-N	1	0	360.458	1.485	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)Cn3nc4ccccn4c3=O)C[C@]2(C)C1	ZINC001091896705	953735588	/nfs/dbraw/zinc/73/55/88/953735588.db2.gz	VFEZHNHOZQWYRQ-UZLBHIALSA-N	1	0	369.469	1.243	20	30		FDEDRO
C[C@]12CN(C(=O)c3c[nH]c(=O)cn3)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001091960850	953742776	/nfs/dbraw/zinc/74/27/76/953742776.db2.gz	SWDPEHMKNFUKHO-UZLBHIALSA-N	1	0	363.421	1.236	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCN(CC(F)F)C3)C[C@]2(C)C1	ZINC001091957732	953853330	/nfs/dbraw/zinc/85/33/30/953853330.db2.gz	TYEISJUSSVTVLD-MDZRGWNJSA-N	1	0	353.457	1.767	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)CC2CCCC2)C1	ZINC001196926193	971973480	/nfs/dbraw/zinc/97/34/80/971973480.db2.gz	TVOZSHVDZMVWPW-QZTJIDSGSA-N	1	0	365.518	1.591	20	30		FDEDRO
Cc1cc(C#N)nc(N2CC[C@H](NC(=O)CCC[NH+]3CCCC3)[C@H]2C)n1	ZINC001091980053	953978196	/nfs/dbraw/zinc/97/81/96/953978196.db2.gz	BQZHMSMKIBORDR-WBVHZDCISA-N	1	0	356.474	1.616	20	30		FDEDRO
C[C@]12CN(C(=O)CCc3cn[nH]n3)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001092028152	954120715	/nfs/dbraw/zinc/12/07/15/954120715.db2.gz	HLSIROMJIJJXMP-XLIONFOSSA-N	1	0	364.453	1.589	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(C)ncn3)C[C@H]21	ZINC000961995936	1013120045	/nfs/dbraw/zinc/12/00/45/1013120045.db2.gz	PTDKYWBRDRXZFN-QTMHVTGLSA-N	1	0	356.470	1.703	20	30		FDEDRO
C[C@H](COCC(=O)N[C@H]1CCN(c2ccncc2C#N)[C@@H]1C)[NH+]1CCCC1	ZINC001092051260	954139572	/nfs/dbraw/zinc/13/95/72/954139572.db2.gz	RPNYRPQVZHDOII-NUJGCVRESA-N	1	0	371.485	1.538	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3c(F)cccc3NC(N)=O)C[C@]2(C)C1	ZINC001092055424	954153618	/nfs/dbraw/zinc/15/36/18/954153618.db2.gz	JQHAXPKMNFHZMK-YJYMSZOUSA-N	1	0	358.417	1.734	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)C3(N4CCOCC4)CCCC3)C[C@]2(C)C1	ZINC001092063960	954186581	/nfs/dbraw/zinc/18/65/81/954186581.db2.gz	ZDZUEGWFAHIBEO-QUCCMNQESA-N	1	0	359.514	1.435	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(-n4ccnc4)nn3)C[C@]2(C)C1	ZINC001092096880	954284339	/nfs/dbraw/zinc/28/43/39/954284339.db2.gz	HZODHGZHDSTFJM-BEFAXECRSA-N	1	0	350.426	1.080	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ccnc(C)c4)C[C@]3(C)C2)C1=O	ZINC001092113683	954348460	/nfs/dbraw/zinc/34/84/60/954348460.db2.gz	PZNNORQPXCKSFA-OPYAIIAOSA-N	1	0	368.481	1.571	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4oncc4C)C[C@]3(C)C2)C1=O	ZINC001092163017	954423092	/nfs/dbraw/zinc/42/30/92/954423092.db2.gz	UOYGOCOSEWHNKN-CLCXKQKWSA-N	1	0	358.442	1.164	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3cc4c(cn3)nc[nH]c4=O)C[C@]2(C)C1	ZINC001092236781	954588503	/nfs/dbraw/zinc/58/85/03/954588503.db2.gz	QGOOHPKFZBTKCB-YJYMSZOUSA-N	1	0	353.426	1.700	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+](CC(=O)N(C)C4CC4)C[C@@]3(C)C2)nc1	ZINC001092207299	954609686	/nfs/dbraw/zinc/60/96/86/954609686.db2.gz	HYRVBPQTTXBPHP-IERDGZPVSA-N	1	0	366.465	1.078	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H]2CN(C(=O)c3ccc(=O)n(CCCC)n3)C[C@]2(C)C1	ZINC001092266571	954635197	/nfs/dbraw/zinc/63/51/97/954635197.db2.gz	DHJKKCSHANOPPB-UZLBHIALSA-N	1	0	356.470	1.461	20	30		FDEDRO
C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(Cc4cc(F)ccc4C#N)C[C@@]3(C)C2)C1	ZINC001092273851	954658251	/nfs/dbraw/zinc/65/82/51/954658251.db2.gz	UHGGKURJEYRXPS-BLIXFSHQSA-N	1	0	370.472	1.929	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4nnc(C)n4C3)C[C@]2(C)C1	ZINC001092296948	954909347	/nfs/dbraw/zinc/90/93/47/954909347.db2.gz	NWXNPYKVTBEYEH-HLIPFELVSA-N	1	0	357.502	1.895	20	30		FDEDRO
CC[NH+](CC)CC(=O)N[C@@H]1CN(CC#Cc2ccccc2Cl)C[C@H]1O	ZINC001197057579	972057988	/nfs/dbraw/zinc/05/79/88/972057988.db2.gz	FOFFHHNDTRZRMI-QZTJIDSGSA-N	1	0	363.889	1.195	20	30		FDEDRO
C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)c1nccn12	ZINC001092383540	954981399	/nfs/dbraw/zinc/98/13/99/954981399.db2.gz	IBVVIFUMYHIQHO-SUMCQTLJSA-N	1	0	368.481	1.845	20	30		FDEDRO
C[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001092384520	954982103	/nfs/dbraw/zinc/98/21/03/954982103.db2.gz	AYMVGLOGBDGBEI-IJEWVQPXSA-N	1	0	359.449	1.623	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1	ZINC001092423350	955059209	/nfs/dbraw/zinc/05/92/09/955059209.db2.gz	ICLRWPMJCVXURT-QGPMSJSTSA-N	1	0	368.485	1.411	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CNC(=O)C2=COCCO2)[C@H](C)C1	ZINC001092436960	955095682	/nfs/dbraw/zinc/09/56/82/955095682.db2.gz	SPBXWFNTJHCXNR-RHSMWYFYSA-N	1	0	371.437	1.639	20	30		FDEDRO
CC[C@H](C(=O)NC[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C)[NH+](CC)CC	ZINC001092442157	955107902	/nfs/dbraw/zinc/10/79/02/955107902.db2.gz	JYYHCRVEOFKEDV-BFYDXBDKSA-N	1	0	358.490	1.657	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](CNC(=O)C[N@H+]3CC[C@@H](C)C3)[C@H](C)C2)n1	ZINC001092445316	955119215	/nfs/dbraw/zinc/11/92/15/955119215.db2.gz	RJQRTTNZOCXWDX-IIAWOOMASA-N	1	0	356.474	1.187	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C	ZINC001092446435	955123775	/nfs/dbraw/zinc/12/37/75/955123775.db2.gz	WWNYHZAJAMOINA-HUUCEWRRSA-N	1	0	358.490	1.515	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@@H](CNC(=O)C[N@H+](C)C3CCC3)[C@H](C)C2)n1	ZINC001092457126	955172120	/nfs/dbraw/zinc/17/21/20/955172120.db2.gz	YFGLHDFPXJWOLX-RHSMWYFYSA-N	1	0	355.486	1.935	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)[C@@H]1COCCO1	ZINC001092469636	955203552	/nfs/dbraw/zinc/20/35/52/955203552.db2.gz	HFUQDEDKELJJNO-QBIMZIAESA-N	1	0	361.417	1.297	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3CCCO3)[C@H](C)C2)c1	ZINC001092449487	955254515	/nfs/dbraw/zinc/25/45/15/955254515.db2.gz	QTRCUZFFVWHPCS-SUMDDJOVSA-N	1	0	369.465	1.470	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)c1ccnn1C	ZINC001092499367	955266969	/nfs/dbraw/zinc/26/69/69/955266969.db2.gz	UXGFWTHHNNUHGA-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CCNC(=O)CCC[NH+]1CCCC1	ZINC001092524174	955323842	/nfs/dbraw/zinc/32/38/42/955323842.db2.gz	YDPRTZCRGGUBHS-IAGOWNOFSA-N	1	0	370.501	1.803	20	30		FDEDRO
C[C@@H]1CN(c2ncccc2C#N)C[C@H]1CCNC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001092552157	955408580	/nfs/dbraw/zinc/40/85/80/955408580.db2.gz	YAMNSOQRTOXIQX-ATZDWAIDSA-N	1	0	367.497	1.874	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC001092552232	955408655	/nfs/dbraw/zinc/40/86/55/955408655.db2.gz	MBIVVUQFKPPARK-RHSMWYFYSA-N	1	0	366.469	1.845	20	30		FDEDRO
COc1nscc1C[N@H+]1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)[C@H](C)C1	ZINC001092555275	955426306	/nfs/dbraw/zinc/42/63/06/955426306.db2.gz	PDVNSKPGNYKHPH-DGCLKSJQSA-N	1	0	359.455	1.849	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)c1cnn(C)c1N	ZINC001092558852	955446862	/nfs/dbraw/zinc/44/68/62/955446862.db2.gz	TZIPFIHWCNCZOR-IUODEOHRSA-N	1	0	370.432	1.511	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC001092532235	955497358	/nfs/dbraw/zinc/49/73/58/955497358.db2.gz	RUHXZQJYZDBERY-NVXWUHKLSA-N	1	0	371.485	1.587	20	30		FDEDRO
CC(C)[C@@H](C(=O)NCC[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C)[NH+](C)C	ZINC001092533122	955500989	/nfs/dbraw/zinc/50/09/89/955500989.db2.gz	GBQTVNUASOQVCB-RKVPGOIHSA-N	1	0	358.490	1.513	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3oc(C)cc3C)[C@H](C)C2)C1=O	ZINC001092533421	955503543	/nfs/dbraw/zinc/50/35/43/955503543.db2.gz	LUJQQQCZHYSYDT-DJIMGWMZSA-N	1	0	359.470	1.981	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CCNC(=O)CC[C@@H]1CCC[N@@H+]1C	ZINC001092598448	955604854	/nfs/dbraw/zinc/60/48/54/955604854.db2.gz	DGNMFIIPHGHGDP-NUJGCVRESA-N	1	0	370.501	1.801	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)c1cn(C)nn1	ZINC001092579957	955713914	/nfs/dbraw/zinc/71/39/14/955713914.db2.gz	MRIJVMQZCOUBED-GDBMZVCRSA-N	1	0	355.417	1.304	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNc2cncc(C#N)n2)C1	ZINC001092618555	955837313	/nfs/dbraw/zinc/83/73/13/955837313.db2.gz	AOZCIQDKJKWSSR-HZPDHXFCSA-N	1	0	358.490	1.977	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](CNC(=O)c3cc[nH]c3)[C@H](C)C2)c1	ZINC001092629196	955889415	/nfs/dbraw/zinc/88/94/15/955889415.db2.gz	DYKAUZPMBWKFBN-CRAIPNDOSA-N	1	0	364.449	1.932	20	30		FDEDRO
CCN1C[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)CC1=O	ZINC001092655843	955912323	/nfs/dbraw/zinc/91/23/23/955912323.db2.gz	UGHBVKMISXIMBF-AYOQOUSVSA-N	1	0	368.481	1.611	20	30		FDEDRO
CCn1nnc(C)c1C(=O)NC[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C	ZINC001092667905	955959245	/nfs/dbraw/zinc/95/92/45/955959245.db2.gz	GIVNKNUOXVWZOY-VQIMIIECSA-N	1	0	365.481	1.956	20	30		FDEDRO
CCc1nc(C#N)cc(NC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)n1	ZINC001092673685	955979231	/nfs/dbraw/zinc/97/92/31/955979231.db2.gz	QHBXXVXVTVMIOM-HUUCEWRRSA-N	1	0	358.490	1.759	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@]3(CNC(=O)C[NH+]4CCCC4)CCC[C@@H]23)cn1	ZINC001092698136	956071601	/nfs/dbraw/zinc/07/16/01/956071601.db2.gz	NFLNZOICUFJOBI-UYAOXDASSA-N	1	0	353.470	1.914	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1N(c1cnc(C#N)cn1)CC2	ZINC001092701261	956094280	/nfs/dbraw/zinc/09/42/80/956094280.db2.gz	WVBBPSSVYORHIQ-YLJYHZDGSA-N	1	0	370.501	1.945	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)NC[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C	ZINC001092703511	956108810	/nfs/dbraw/zinc/10/88/10/956108810.db2.gz	COCCBWHCYSVUTL-RHSMWYFYSA-N	1	0	352.438	1.773	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@@H]1CCN(C)C(=O)C1	ZINC001092738335	956230364	/nfs/dbraw/zinc/23/03/64/956230364.db2.gz	MEEZYQLJLHEOLK-ATZDWAIDSA-N	1	0	368.481	1.611	20	30		FDEDRO
Cc1cc(N2CCO[C@](C)(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C#N)cn1	ZINC001092777695	956418240	/nfs/dbraw/zinc/41/82/40/956418240.db2.gz	SLSXELGQPPCLFY-WRWLIDTKSA-N	1	0	371.485	1.313	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)cn1	ZINC001092837620	956451720	/nfs/dbraw/zinc/45/17/20/956451720.db2.gz	RJCBOPYHWKEVPU-RANZSIQMSA-N	1	0	369.469	1.147	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ncccc2C#N)CC1	ZINC001092867928	956588880	/nfs/dbraw/zinc/58/88/80/956588880.db2.gz	HFFVDVJOQPHVOG-NJAFHUGGSA-N	1	0	369.469	1.290	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]2C)cc1	ZINC001092876863	956626646	/nfs/dbraw/zinc/62/66/46/956626646.db2.gz	PBZDPNQRTYSUKU-YVWKXTFCSA-N	1	0	367.493	1.882	20	30		FDEDRO
Cc1nsc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C3)c1C#N	ZINC001092886011	956669206	/nfs/dbraw/zinc/66/92/06/956669206.db2.gz	CBLMKSDRKLBHAS-SYAUCNOPSA-N	1	0	359.499	1.889	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccncc1C#N	ZINC001092888178	956796704	/nfs/dbraw/zinc/79/67/04/956796704.db2.gz	QPYDOMQAPNIHKG-CVYDXHPNSA-N	1	0	359.449	1.859	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21	ZINC001092889173	956800641	/nfs/dbraw/zinc/80/06/41/956800641.db2.gz	CFHJLMQOPVJKCY-ZTTMTSROSA-N	1	0	369.465	1.665	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@@H]1CCCCC(=O)N1	ZINC001092959318	956909898	/nfs/dbraw/zinc/90/98/98/956909898.db2.gz	GAUGDSUAMSHOLF-LZQZEXGQSA-N	1	0	368.481	1.801	20	30		FDEDRO
Cc1ccc(C#N)c(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C3)n1	ZINC001092925168	956927885	/nfs/dbraw/zinc/92/78/85/956927885.db2.gz	UHAGIFLPJXOUNQ-SQNIBIBYSA-N	1	0	353.470	1.972	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)c1cn(C)c(=O)[nH]1	ZINC001092936328	956956575	/nfs/dbraw/zinc/95/65/75/956956575.db2.gz	BLCSJEDTSLSDFZ-VXGBXAGGSA-N	1	0	359.455	1.557	20	30		FDEDRO
CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N)C(C)C	ZINC001092999969	957100685	/nfs/dbraw/zinc/10/06/85/957100685.db2.gz	YVHIGFIORNLHEF-XYVMCAHJSA-N	1	0	370.501	1.941	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N	ZINC001093019235	957146165	/nfs/dbraw/zinc/14/61/65/957146165.db2.gz	ZXOUQBFDYQPGIA-KQTLUZQSSA-N	1	0	360.437	1.254	20	30		FDEDRO
Cc1ccc(C#N)c(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C3)n1	ZINC001093022914	957159014	/nfs/dbraw/zinc/15/90/14/957159014.db2.gz	JICBJLGKVYBNJV-ZJPYXAASSA-N	1	0	353.470	1.828	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cc(C)ncn2)C[C@H]1C	ZINC001093049164	957218487	/nfs/dbraw/zinc/21/84/87/957218487.db2.gz	SAULKPYEKQBESM-JZGRTCEGSA-N	1	0	358.486	1.950	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3cnn(C)c3)C[C@H]2C)cc1	ZINC001093032029	957245473	/nfs/dbraw/zinc/24/54/73/957245473.db2.gz	SUNLVKNWCVOWSC-VQIMIIECSA-N	1	0	366.465	1.930	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2C)nn1	ZINC001093035231	957253841	/nfs/dbraw/zinc/25/38/41/957253841.db2.gz	TWULADHVXQUVMP-IEBWSBKVSA-N	1	0	363.465	1.814	20	30		FDEDRO
COc1ncc(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2C)cn1	ZINC001093100922	957413857	/nfs/dbraw/zinc/41/38/57/957413857.db2.gz	MBPAJMBRRIVTDV-TZMCWYRMSA-N	1	0	371.466	1.916	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H]3CCC[C@]3(NC(=O)C[N@H+](C)C(C)C)C2)n1	ZINC001093087757	957497610	/nfs/dbraw/zinc/49/76/10/957497610.db2.gz	RRUICFXLRKMJLM-YWZLYKJASA-N	1	0	370.501	1.726	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1C	ZINC001093118567	957569825	/nfs/dbraw/zinc/56/98/25/957569825.db2.gz	OZHPYRYNJDYXEW-HZPDHXFCSA-N	1	0	369.469	1.878	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(OCCOC)cc2)C1	ZINC001197535733	972278393	/nfs/dbraw/zinc/27/83/93/972278393.db2.gz	BZEBEEDSJHILCZ-ATZDWAIDSA-N	1	0	362.470	1.841	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1C	ZINC001093143505	957641572	/nfs/dbraw/zinc/64/15/72/957641572.db2.gz	LCSJGPVBKPXICK-KZNAEPCWSA-N	1	0	371.481	1.818	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1C	ZINC001093143418	957641852	/nfs/dbraw/zinc/64/18/52/957641852.db2.gz	GJGWPDQRZMBGPJ-SJLPKXTDSA-N	1	0	364.449	1.987	20	30		FDEDRO
Cc1cc(NC[C@]23CCC[C@H]2CN(C(=O)CC[NH+](C)C)C3)c(C#N)cn1	ZINC001093129675	957670784	/nfs/dbraw/zinc/67/07/84/957670784.db2.gz	JEDGGRYAWZULBJ-PXNSSMCTSA-N	1	0	355.486	1.676	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2nc3cc[nH]cc-3n2)C1	ZINC001197551232	972298272	/nfs/dbraw/zinc/29/82/72/972298272.db2.gz	FVROICAKLDJYBQ-QZTJIDSGSA-N	1	0	371.485	1.798	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@@H]1CCC(=O)N(C)C1	ZINC001093230445	957864819	/nfs/dbraw/zinc/86/48/19/957864819.db2.gz	FKICEVFNNGYEEY-ATZDWAIDSA-N	1	0	368.481	1.611	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)c1cn(C)c(=O)n1C	ZINC001093231270	957872242	/nfs/dbraw/zinc/87/22/42/957872242.db2.gz	IHINJLUTCIFMRA-RHSMWYFYSA-N	1	0	367.453	1.093	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCc1ccccc1	ZINC001110493625	972303784	/nfs/dbraw/zinc/30/37/84/972303784.db2.gz	YLBKAAXKAFIUCY-QRVBRYPASA-N	1	0	353.466	1.828	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3cc(C)on3)C[C@H]2C)C1=O	ZINC001093270867	957936443	/nfs/dbraw/zinc/93/64/43/957936443.db2.gz	MZOXTNOYQAMBDC-BMFZPTHFSA-N	1	0	360.458	1.458	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3cncs3)C[C@H]2C)C1=O	ZINC001093272773	957941235	/nfs/dbraw/zinc/94/12/35/957941235.db2.gz	WBBGNACBQAOUNT-KFWWJZLASA-N	1	0	362.499	1.618	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H]3CCCNC3=O)C2)nc1	ZINC001093289522	957982472	/nfs/dbraw/zinc/98/24/72/957982472.db2.gz	SABMLQXJRJJOTG-DJIMGWMZSA-N	1	0	354.454	1.029	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H]3CCCN(C)C3=O)C2)cn1	ZINC001093289563	957982588	/nfs/dbraw/zinc/98/25/88/957982588.db2.gz	TWXZQNHCUZPGPY-SZVBFZGTSA-N	1	0	368.481	1.372	20	30		FDEDRO
C#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1	ZINC001093373104	958015802	/nfs/dbraw/zinc/01/58/02/958015802.db2.gz	KASNBWRRKODLPJ-BHIYHBOVSA-N	1	0	359.514	1.432	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(=O)[nH]n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093429156	958049493	/nfs/dbraw/zinc/04/94/93/958049493.db2.gz	ZGMPJCPDWCZXMT-RRIFGTCXSA-N	1	0	360.458	1.338	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(=O)[nH]n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093429153	958049761	/nfs/dbraw/zinc/04/97/61/958049761.db2.gz	ZGMPJCPDWCZXMT-FXRXJOCMSA-N	1	0	360.458	1.338	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc[nH]n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093430500	958052882	/nfs/dbraw/zinc/05/28/82/958052882.db2.gz	NUXDLBAVMUISCK-AIANPOQGSA-N	1	0	352.866	1.742	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093432096	958057749	/nfs/dbraw/zinc/05/77/49/958057749.db2.gz	AFHTXQAPPZMBLN-YFHUEUNASA-N	1	0	366.893	1.752	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN3CCCC3=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001093432965	958058850	/nfs/dbraw/zinc/05/88/50/958058850.db2.gz	FHEYIBOQJVDZRE-SMOSDQRPSA-N	1	0	363.502	1.151	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnsn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093433701	958061027	/nfs/dbraw/zinc/06/10/27/958061027.db2.gz	JLNSBIVSCNEINY-JJAZEVLHSA-N	1	0	350.488	1.694	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)C#CC2CC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCn1cccn1)C2	ZINC001093444126	958087480	/nfs/dbraw/zinc/08/74/80/958087480.db2.gz	ZSEVUWIKZKEGIG-RMVXJAJNSA-N	1	0	370.497	1.263	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)C#CC2CC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccn(C)n1)C2	ZINC001093443928	958087772	/nfs/dbraw/zinc/08/77/72/958087772.db2.gz	WMXMNFURMCRRAT-VURPSTOHSA-N	1	0	370.497	1.300	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3OCCCO3)[C@H]2C(C)C)C[C@H]1O	ZINC001093444124	958088092	/nfs/dbraw/zinc/08/80/92/958088092.db2.gz	ZSCFYYXDKZSWMT-YKCBXCCJSA-N	1	0	366.502	1.682	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc4n(n3)CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093448385	958107938	/nfs/dbraw/zinc/10/79/38/958107938.db2.gz	IMUUXGZELQVREB-FTEYMNFISA-N	1	0	358.486	1.595	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3scnc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093448699	958110475	/nfs/dbraw/zinc/11/04/75/958110475.db2.gz	LHENIXUIYDJFIU-LFEHRJTNSA-N	1	0	361.511	1.918	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnc4ccnn43)[C@H]2C(C)C)C[C@H]1O	ZINC001093449321	958114349	/nfs/dbraw/zinc/11/43/49/958114349.db2.gz	OJQWNWABLHDDGY-BIJSTVTOSA-N	1	0	369.469	1.495	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc4c([nH]3)CCOC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093449254	958114969	/nfs/dbraw/zinc/11/49/69/958114969.db2.gz	OBPHQSLVAPPQRA-XCJLJZCSSA-N	1	0	371.481	1.300	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(=O)Nc3ccccc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093451902	958137194	/nfs/dbraw/zinc/13/71/94/958137194.db2.gz	AFRNPDWILYOTQR-DCXXXQMHSA-N	1	0	371.481	1.777	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(N(C)C)nc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093452215	958138570	/nfs/dbraw/zinc/13/85/70/958138570.db2.gz	FIMFVEDMHXIIIW-REHHDOPLSA-N	1	0	370.497	1.361	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@H]1C(C)C	ZINC001093459998	958185990	/nfs/dbraw/zinc/18/59/90/958185990.db2.gz	OUCYUYRMJZTCFF-UMHPPVOVSA-N	1	0	351.491	1.040	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3noc4c3CCCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093464619	958200446	/nfs/dbraw/zinc/20/04/46/958200446.db2.gz	CRKHHTQWWUOUOQ-IIZJSDIPSA-N	1	0	371.481	1.766	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(COC)on3)[C@H]2C(C)C)C[C@H]1O	ZINC001093467206	958213176	/nfs/dbraw/zinc/21/31/76/958213176.db2.gz	RQABAYKQLSJFOD-VXIBKDFQSA-N	1	0	363.458	1.587	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nc[nH]n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093469842	958224563	/nfs/dbraw/zinc/22/45/63/958224563.db2.gz	LXDCXNFIQWNMJT-FOCJUVANSA-N	1	0	353.854	1.137	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)nc(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093470382	958228121	/nfs/dbraw/zinc/22/81/21/958228121.db2.gz	UGOFWJUSMUPJRT-FTEYMNFISA-N	1	0	356.470	1.306	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(C(C)C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093473193	958242970	/nfs/dbraw/zinc/24/29/70/958242970.db2.gz	NFFRRZCCSKNRMB-XSYGEPLQSA-N	1	0	358.486	1.677	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C)nc3Cl)[C@@H]2C(C)C)C[C@H]1O	ZINC001093473694	958245473	/nfs/dbraw/zinc/24/54/73/958245473.db2.gz	RMOFDBJNSQGTOU-ATNYBXOESA-N	1	0	364.877	1.286	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(N(C)C)cc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093474636	958248586	/nfs/dbraw/zinc/24/85/86/958248586.db2.gz	TXSBMFYLJZIBQM-JBPLPALLSA-N	1	0	369.509	1.966	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncoc3C3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093474873	958249929	/nfs/dbraw/zinc/24/99/29/958249929.db2.gz	XAZBTCVVNXYEDG-YZDADXEPSA-N	1	0	357.454	1.765	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3sc(C)nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093477291	958257154	/nfs/dbraw/zinc/25/71/54/958257154.db2.gz	GVOGYWAAOWBBGW-IIHSZXCVSA-N	1	0	361.511	1.973	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncccc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093453037	958262001	/nfs/dbraw/zinc/26/20/01/958262001.db2.gz	SJACETRJNNUZKX-ZJSJBZJDSA-N	1	0	355.482	1.857	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc4[nH]ncc43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093454713	958269040	/nfs/dbraw/zinc/26/90/40/958269040.db2.gz	HACCEDOBULPNGR-XCJLJZCSSA-N	1	0	366.465	1.776	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc4[nH]ncc43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093454707	958269190	/nfs/dbraw/zinc/26/91/90/958269190.db2.gz	HACCEDOBULPNGR-ANTGDGSKSA-N	1	0	366.465	1.776	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3nccn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093455123	958272255	/nfs/dbraw/zinc/27/22/55/958272255.db2.gz	KOUZTTXWKMQPSO-SMOSDQRPSA-N	1	0	360.502	1.505	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(CC)nnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093456095	958276764	/nfs/dbraw/zinc/27/67/64/958276764.db2.gz	VGEWJGIPNGNSTO-WERVVEIQSA-N	1	0	370.497	1.560	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncc(CC)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093456966	958278553	/nfs/dbraw/zinc/27/85/53/958278553.db2.gz	HKAMHXXMUHGMLU-ANTGDGSKSA-N	1	0	355.482	1.857	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccn4ccnc4c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093457722	958281165	/nfs/dbraw/zinc/28/11/65/958281165.db2.gz	KZUVHJWBGQPSOE-VGUOSERISA-N	1	0	366.465	1.547	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3n[nH]c4c3CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093458295	958282995	/nfs/dbraw/zinc/28/29/95/958282995.db2.gz	NCGVAIRRAWOKKP-QQTQMKHKSA-N	1	0	356.470	1.111	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)[C@H]2C(C)C)C[C@H]1O	ZINC001093478080	958291789	/nfs/dbraw/zinc/29/17/89/958291789.db2.gz	BPCCZNBACXGNOO-BLOBNCHUSA-N	1	0	356.510	1.878	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccccc3N(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093478288	958293578	/nfs/dbraw/zinc/29/35/78/958293578.db2.gz	DJHUCCIHUGNKQI-JWUVWSEFSA-N	1	0	369.509	1.966	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(C)c3C3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093478820	958296538	/nfs/dbraw/zinc/29/65/38/958296538.db2.gz	FPKRWOUGSIOOGE-REHHDOPLSA-N	1	0	370.497	1.510	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc4n[nH]nc4c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093479688	958300507	/nfs/dbraw/zinc/30/05/07/958300507.db2.gz	VBUBYJCLNSLBIG-SOAMZJECSA-N	1	0	369.469	1.724	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001093618305	958346405	/nfs/dbraw/zinc/34/64/05/958346405.db2.gz	ZLAKADXYGOFPMX-CZUORRHYSA-N	1	0	353.401	1.985	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001093664626	958463366	/nfs/dbraw/zinc/46/33/66/958463366.db2.gz	BRBCIURYKWDSQB-BPQIPLTHSA-N	1	0	357.454	1.810	20	30		FDEDRO
C#C[C@H]([NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1)[C@H]1CCCO1	ZINC000775784307	972352341	/nfs/dbraw/zinc/35/23/41/972352341.db2.gz	HSBMPTCQVQDOPG-ZWKOTPCHSA-N	1	0	355.438	1.912	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2cc(C(F)(F)F)n(C)n2)[C@H](C)C1	ZINC001093679466	958533458	/nfs/dbraw/zinc/53/34/58/958533458.db2.gz	UYPALPBNKSEPCV-QJPTWQEYSA-N	1	0	357.380	1.783	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2cc(-c3cnn(C)c3)no2)[C@H](C)C1	ZINC001093679754	958534667	/nfs/dbraw/zinc/53/46/67/958534667.db2.gz	ZRQHZTDZMBVJHF-BFHYXJOUSA-N	1	0	356.430	1.419	20	30		FDEDRO
COc1nscc1C[NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC001093699438	958565340	/nfs/dbraw/zinc/56/53/40/958565340.db2.gz	XWAZQELMXTUXCM-DGCLKSJQSA-N	1	0	359.455	1.849	20	30		FDEDRO
CCn1nnc(C)c1C[NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC001093699516	958565721	/nfs/dbraw/zinc/56/57/21/958565721.db2.gz	BMHODTZAAXNYBD-IUODEOHRSA-N	1	0	355.446	1.304	20	30		FDEDRO
CC(C)Cc1noc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)n1	ZINC001093700005	958566838	/nfs/dbraw/zinc/56/68/38/958566838.db2.gz	UMUANUGGJATBJE-UKRRQHHQSA-N	1	0	370.457	1.966	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1ccnc(N(C)C)c1	ZINC001093722580	958599698	/nfs/dbraw/zinc/59/96/98/958599698.db2.gz	PSGPFUSSSVDJGF-GDBMZVCRSA-N	1	0	366.469	1.845	20	30		FDEDRO
CC(C)c1noc(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)n1	ZINC001093726001	958610743	/nfs/dbraw/zinc/61/07/43/958610743.db2.gz	NENBWKFDRIXIKT-TZMCWYRMSA-N	1	0	356.430	1.891	20	30		FDEDRO
C#C[C@H](NC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCO1	ZINC000773213835	958636122	/nfs/dbraw/zinc/63/61/22/958636122.db2.gz	HONVJHOMBPJQEH-PMACEKPBSA-N	1	0	370.497	1.284	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001093754593	958681570	/nfs/dbraw/zinc/68/15/70/958681570.db2.gz	DTIHLHAVAUOYRL-IUODEOHRSA-N	1	0	356.405	1.324	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C3(C(F)F)CC3)C[C@H]2C)C1=O	ZINC001093767091	958715179	/nfs/dbraw/zinc/71/51/79/958715179.db2.gz	LYWHERGEKAFVLN-MGPQQGTHSA-N	1	0	355.429	1.503	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccn(CC)n2)[C@H](C)C1	ZINC001093832797	958925974	/nfs/dbraw/zinc/92/59/74/958925974.db2.gz	ABJZTQQWGHYYNA-LMMKCTJWSA-N	1	0	357.502	1.185	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(CO)cc2)[C@H](C)C1	ZINC001093832915	958926010	/nfs/dbraw/zinc/92/60/10/958926010.db2.gz	HOLLVXNUEWMBQB-UIFIKXQLSA-N	1	0	369.509	1.461	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cc(C)n(C)n2)[C@H](C)C1	ZINC001093832971	958927279	/nfs/dbraw/zinc/92/72/79/958927279.db2.gz	LIJOXCISWRZPDY-SUMDDJOVSA-N	1	0	357.502	1.010	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2CC(F)(F)C2)[C@H](C)C1	ZINC001093833136	958928430	/nfs/dbraw/zinc/92/84/30/958928430.db2.gz	UERQXTSMTVIFQP-OIISXLGYSA-N	1	0	353.457	1.813	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccnc(OC)c2)[C@H](C)C1	ZINC001093833120	958928591	/nfs/dbraw/zinc/92/85/91/958928591.db2.gz	SMJFINVOIXVAJL-QRQLOZEOSA-N	1	0	370.497	1.372	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093833444	958929932	/nfs/dbraw/zinc/92/99/32/958929932.db2.gz	IOHMSDCYHCLGFA-RHSMWYFYSA-N	1	0	365.437	1.150	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093839159	958947970	/nfs/dbraw/zinc/94/79/70/958947970.db2.gz	ALWRXZQKKQAPKB-XJKCOSOUSA-N	1	0	360.483	1.330	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1	ZINC001197724516	972394799	/nfs/dbraw/zinc/39/47/99/972394799.db2.gz	SZNLRZTVQWSVKV-BRWVUGGUSA-N	1	0	351.878	1.593	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C[NH2+][C@H]2CCNC2=O)[C@H](C)C1	ZINC001093870033	959053733	/nfs/dbraw/zinc/05/37/33/959053733.db2.gz	IFYSCJCAOLAHKC-INMHGKMJSA-N	1	0	357.454	1.438	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CCc3ccon3)C[C@H]2C)C1=O	ZINC001093918025	959206190	/nfs/dbraw/zinc/20/61/90/959206190.db2.gz	MKLODTLCUYQYIT-BFYDXBDKSA-N	1	0	360.458	1.078	20	30		FDEDRO
COc1cnc(C(=O)N2C[C@@H](C[NH2+]Cc3cccc(C#N)c3)[C@H](C)C2)nc1	ZINC001093907192	959295717	/nfs/dbraw/zinc/29/57/17/959295717.db2.gz	XMMYCGLUNTWVMH-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H]3CCCN(C)C3=O)[C@H](C)C2)cc1	ZINC001093956917	959348859	/nfs/dbraw/zinc/34/88/59/959348859.db2.gz	HCQFUPNIRSDRKD-ATZDWAIDSA-N	1	0	353.466	1.586	20	30		FDEDRO
CCn1cc(CC(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)cc3)[C@H](C)C2)nn1	ZINC001093936755	959397503	/nfs/dbraw/zinc/39/75/03/959397503.db2.gz	XCCKLKDPCUSRPC-CRAIPNDOSA-N	1	0	366.469	1.596	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]Cc3nc(CCOC)no3)[C@H](C)C2)C1	ZINC001094025210	959545415	/nfs/dbraw/zinc/54/54/15/959545415.db2.gz	UMOUJZSVWSIQMR-HUUCEWRRSA-N	1	0	362.474	1.799	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3cccnc3OC)[C@H](C)C2)c1	ZINC001094028222	959550252	/nfs/dbraw/zinc/55/02/52/959550252.db2.gz	VOGBSYXNBVRJKR-DNVCBOLYSA-N	1	0	364.449	1.964	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001094054979	959643312	/nfs/dbraw/zinc/64/33/12/959643312.db2.gz	ABJHUSLRAAVCCY-CHWSQXEVSA-N	1	0	358.471	1.555	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](C[NH2+]Cc2nnc3n2CCOC3)[C@H](C)C1	ZINC001094015514	959656984	/nfs/dbraw/zinc/65/69/84/959656984.db2.gz	FKKDMVMHAHTPDZ-CLCXKQKWSA-N	1	0	361.490	1.595	20	30		FDEDRO
COc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)cc3)[C@H](C)C2)n1	ZINC001094091217	959754113	/nfs/dbraw/zinc/75/41/13/959754113.db2.gz	SRWPMDWWQJLCAW-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ncc(CC)o3)[C@H](C)C2)nn1	ZINC001094095180	959770675	/nfs/dbraw/zinc/77/06/75/959770675.db2.gz	IIQOQFRWEWWNMD-ZIAGYGMSSA-N	1	0	358.446	1.512	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ncccc3C)[C@H](C)C2)nn1	ZINC001094095594	959772240	/nfs/dbraw/zinc/77/22/40/959772240.db2.gz	UTEVEVZWQFWYPC-HZPDHXFCSA-N	1	0	354.458	1.665	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3cncn3C)[C@H](C)C2)nn1	ZINC001094101584	959882902	/nfs/dbraw/zinc/88/29/02/959882902.db2.gz	ZHFUSEBIDJWNFF-HUUCEWRRSA-N	1	0	357.462	1.086	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001094107067	959893534	/nfs/dbraw/zinc/89/35/34/959893534.db2.gz	DYRNICZYSCSYAI-ZTFGCOKTSA-N	1	0	354.454	1.411	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cnn(CC)n3)[C@H](C)C2)nc1	ZINC001094172255	959970367	/nfs/dbraw/zinc/97/03/67/959970367.db2.gz	LDKDHJNLRPVFNI-GDBMZVCRSA-N	1	0	352.442	1.172	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nnc(CC)o3)[C@H](C)C2)nc1	ZINC001094172817	959971468	/nfs/dbraw/zinc/97/14/68/959971468.db2.gz	ZLFFFFRMCFSKDW-UKRRQHHQSA-N	1	0	353.426	1.506	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3cc(CC)on3)C[C@H]2C)C1=O	ZINC001094174551	959978454	/nfs/dbraw/zinc/97/84/54/959978454.db2.gz	NOUMMBMWEMLWIO-FMKPAKJESA-N	1	0	360.458	1.322	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001094177312	959983938	/nfs/dbraw/zinc/98/39/38/959983938.db2.gz	XAPTYAGRRJJHSP-VMGRFDJRSA-N	1	0	358.417	1.160	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001094177227	959983972	/nfs/dbraw/zinc/98/39/72/959983972.db2.gz	QOFIFARKXPWPLM-VMGRFDJRSA-N	1	0	358.417	1.160	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]Cc2cnnn2C)[C@H](C)C1	ZINC001094188158	960068803	/nfs/dbraw/zinc/06/88/03/960068803.db2.gz	HXUGKFLXSFDMGF-CRAIPNDOSA-N	1	0	351.454	1.223	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001094255855	960228937	/nfs/dbraw/zinc/22/89/37/960228937.db2.gz	XMMMFDBEYGHSCA-OLMNPRSZSA-N	1	0	369.469	1.285	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1cn(C2C[NH+](C[C@@H](C)CC)C2)nn1	ZINC001094327631	960263580	/nfs/dbraw/zinc/26/35/80/960263580.db2.gz	IYMXLYTXPGIKFI-WBAXXEDZSA-N	1	0	361.490	1.778	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](C)OC	ZINC001110155937	960270621	/nfs/dbraw/zinc/27/06/21/960270621.db2.gz	GYMIKVNDCDROSR-XGUBFFRZSA-N	1	0	352.479	1.007	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCOCC	ZINC001110156055	960317601	/nfs/dbraw/zinc/31/76/01/960317601.db2.gz	PPLLWNTWYYFYNU-PMPSAXMXSA-N	1	0	366.506	1.398	20	30		FDEDRO
O=C(NC[C@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2)[C@@H]1COCCO1	ZINC001094368628	960329100	/nfs/dbraw/zinc/32/91/00/960329100.db2.gz	RTJPTMXAHVTNII-TUNNFDKTSA-N	1	0	368.477	1.814	20	30		FDEDRO
O=C(NC[C@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2)[C@@H]1COC(=O)N1	ZINC001094407292	960386730	/nfs/dbraw/zinc/38/67/30/960386730.db2.gz	HWGHRIKKQZFFKA-WAOWUJCRSA-N	1	0	367.449	1.507	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)CCC[C@@H]12	ZINC001094415010	960403850	/nfs/dbraw/zinc/40/38/50/960403850.db2.gz	IYVGHPITZDNRSK-WRWLIDTKSA-N	1	0	371.485	1.700	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4c(c3)NC(=O)CO4)CCC[C@@H]12	ZINC001094460251	960560770	/nfs/dbraw/zinc/56/07/70/960560770.db2.gz	YHCWRIPYMYVAOS-OXQOHEQNSA-N	1	0	370.453	1.963	20	30		FDEDRO
O=C(NC[C@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2)[C@@H]1CNC(=O)N1	ZINC001094501758	960628729	/nfs/dbraw/zinc/62/87/29/960628729.db2.gz	POKKPSDXZWQWQV-WAOWUJCRSA-N	1	0	366.465	1.080	20	30		FDEDRO
COc1cc(N2CCN(C(=O)Cc3ccc(F)c(C#N)c3)CC2)ccn1	ZINC001181183043	960640642	/nfs/dbraw/zinc/64/06/42/960640642.db2.gz	VBBOXGOERKEJSA-UHFFFAOYSA-N	1	0	354.385	1.992	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3COCCN3CC(F)F)CCC[C@@H]12	ZINC001094478649	960656412	/nfs/dbraw/zinc/65/64/12/960656412.db2.gz	YWGDAOMWVFYRCU-GPMSIDNRSA-N	1	0	371.472	1.889	20	30		FDEDRO
CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)O1	ZINC001181204957	960658967	/nfs/dbraw/zinc/65/89/67/960658967.db2.gz	NLADBYOBLQJDFG-ZACQAIPSSA-N	1	0	361.442	1.557	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc(N4CCCC4)ncn3)CCC[C@@H]12	ZINC001094511405	960693856	/nfs/dbraw/zinc/69/38/56/960693856.db2.gz	RQVUSTXZSQNOAO-YLJYHZDGSA-N	1	0	353.470	1.684	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3c(C)c[nH]c3CC(N)=O)CCC[C@@H]12	ZINC001094519341	960716384	/nfs/dbraw/zinc/71/63/84/960716384.db2.gz	GLUFKTTVCORUMK-OXQOHEQNSA-N	1	0	356.470	1.349	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3csc(-c4nc[nH]n4)n3)CCC[C@@H]12	ZINC001094533702	960748216	/nfs/dbraw/zinc/74/82/16/960748216.db2.gz	LLOALAHEVWEDPF-RDTXWAMCSA-N	1	0	370.482	1.926	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4c(cnn4C)c3)CCC[C@@H]12	ZINC001094545528	960793665	/nfs/dbraw/zinc/79/36/65/960793665.db2.gz	YLKGFRVRUYIBPR-YLJYHZDGSA-N	1	0	351.454	1.966	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cn(C4CCOCC4)nn3)CCC[C@@H]12	ZINC001094557147	960910722	/nfs/dbraw/zinc/91/07/22/960910722.db2.gz	IXMARWSUDFCVTC-UYAOXDASSA-N	1	0	371.485	1.627	20	30		FDEDRO
C=C(C)CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3ccncc3)CC2=O)C1	ZINC001094738812	961133803	/nfs/dbraw/zinc/13/38/03/961133803.db2.gz	OIBIIYZVLBCEBF-YTQUADARSA-N	1	0	368.481	1.553	20	30		FDEDRO
C[C@@H](CC#N)[NH2+]CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC001171640732	961243795	/nfs/dbraw/zinc/24/37/95/961243795.db2.gz	CSWHBOCWISLKKZ-AWEZNQCLSA-N	1	0	364.471	1.691	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	ZINC001171849847	961325765	/nfs/dbraw/zinc/32/57/65/961325765.db2.gz	NKDIYEUMUJDKDH-NBOOPKSLSA-N	1	0	351.491	1.368	20	30		FDEDRO
C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	ZINC001171878402	961336888	/nfs/dbraw/zinc/33/68/88/961336888.db2.gz	JZVZWWMTVKBOME-KURKYZTESA-N	1	0	353.507	1.317	20	30		FDEDRO
C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC001171889498	961342994	/nfs/dbraw/zinc/34/29/94/961342994.db2.gz	GXPZNOAPQRSDPG-XLAORIBOSA-N	1	0	354.491	1.505	20	30		FDEDRO
COC(=O)N1CCC([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1	ZINC001172734654	961757446	/nfs/dbraw/zinc/75/74/46/961757446.db2.gz	SHLJQXKDFJFYQR-UHFFFAOYSA-N	1	0	370.453	1.983	20	30		FDEDRO
C#CCN(C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1	ZINC000774190027	961815685	/nfs/dbraw/zinc/81/56/85/961815685.db2.gz	WDLMMGYTQAIGHG-RYRKJORJSA-N	1	0	369.531	1.329	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCN2CCSCC2)C[C@H]1C#N	ZINC001172966440	961852719	/nfs/dbraw/zinc/85/27/19/961852719.db2.gz	AKVAEJRFBCIMFU-GJZGRUSLSA-N	1	0	354.520	1.916	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCC(=O)N2CCCC2)C[C@H]1C#N	ZINC001172967742	961853853	/nfs/dbraw/zinc/85/38/53/961853853.db2.gz	AQFSYNBIAXQDOX-CABCVRRESA-N	1	0	350.463	1.880	20	30		FDEDRO
CC(=O)N(C)[C@@H]1CC[N@@H+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1	ZINC001172990583	961853879	/nfs/dbraw/zinc/85/38/79/961853879.db2.gz	PKXKRTIJJQOKAQ-XHSDSOJGSA-N	1	0	350.463	1.831	20	30		FDEDRO
COCCOCCOCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1	ZINC001172968924	961854885	/nfs/dbraw/zinc/85/48/85/961854885.db2.gz	QSMRYNZRGIIWGR-HOTGVXAUSA-N	1	0	371.478	1.547	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC2(S(C)(=O)=O)CCC2)C[C@H]1C#N	ZINC001172972745	961857982	/nfs/dbraw/zinc/85/79/82/961857982.db2.gz	BUFINGUPMGNJTK-KBPBESRZSA-N	1	0	371.503	1.835	20	30		FDEDRO
CC(C)N1C[C@@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1=O	ZINC001172972584	961858091	/nfs/dbraw/zinc/85/80/91/961858091.db2.gz	BENFUDQQKRJJDB-ILXRZTDVSA-N	1	0	350.463	1.877	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(c3ccncn3)C2)C[C@H]1C#N	ZINC001172973280	961858420	/nfs/dbraw/zinc/85/84/20/961858420.db2.gz	FQNDQDYUBLWFRY-OAGGEKHMSA-N	1	0	372.473	1.937	20	30		FDEDRO
C#CCOCCOCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1	ZINC001172981008	961864605	/nfs/dbraw/zinc/86/46/05/961864605.db2.gz	IINPXNKBUSHQFN-CVEARBPZSA-N	1	0	351.447	1.534	20	30		FDEDRO
CC[C@H](C)[C@H]([NH2+]C1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)NO	ZINC001173002176	961879455	/nfs/dbraw/zinc/87/94/55/961879455.db2.gz	RYSSYRYWRCZYEA-LRDDRELGSA-N	1	0	351.422	1.940	20	30		FDEDRO
CCCCCCCCC[C@@H](CCC)[NH2+][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O	ZINC001173284449	962000871	/nfs/dbraw/zinc/00/08/71/962000871.db2.gz	HFMDLGKAZGKXGA-MGYGNFHQSA-N	1	0	361.523	1.685	20	30		FDEDRO
N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC[C@@H]1CCCCO1	ZINC001110301367	962072264	/nfs/dbraw/zinc/07/22/64/962072264.db2.gz	CQTOTDZXGCZMPQ-TWMKSMIVSA-N	1	0	367.515	1.550	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+][C@H](CO)c3ccncc3)CC2)cc1	ZINC001173425580	962133657	/nfs/dbraw/zinc/13/36/57/962133657.db2.gz	YSCJQAHDPQOWIG-LJQANCHMSA-N	1	0	350.422	1.881	20	30		FDEDRO
Cc1c(CC[NH3+])c(=O)[nH]n1C1CCN(C(=O)c2ccc(C#N)cc2)CC1	ZINC001173425712	962134444	/nfs/dbraw/zinc/13/44/44/962134444.db2.gz	CJZSTAVELOKDKJ-UHFFFAOYSA-N	1	0	353.426	1.747	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC(n3[nH]c(=O)c4c3CC[NH2+]C4)CC2)cc1	ZINC001173434809	962156766	/nfs/dbraw/zinc/15/67/66/962156766.db2.gz	QTDWXODBYWEIDQ-UHFFFAOYSA-N	1	0	351.410	1.583	20	30		FDEDRO
COC(=O)C1(O)CC[NH+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1	ZINC001173433988	962157192	/nfs/dbraw/zinc/15/71/92/962157192.db2.gz	CIWFQJIGSBNQDA-UHFFFAOYSA-N	1	0	371.437	1.163	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@]1(C)C[NH2+]Cc1ccccc1C#N	ZINC001182623564	962334112	/nfs/dbraw/zinc/33/41/12/962334112.db2.gz	QIWBZEAQSODMEB-PJKMLTEKSA-N	1	0	354.454	1.254	20	30		FDEDRO
N#CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCOC2)C3)cc1	ZINC001095219462	962412420	/nfs/dbraw/zinc/41/24/20/962412420.db2.gz	GRRZEBQQHUQTAV-NBMJBFSESA-N	1	0	355.438	1.847	20	30		FDEDRO
COC(=O)[C@@H]1C[C@@H](n2cc(CC[NH3+])c3cc(C#N)ccc32)C[C@@H]1C(=O)OC	ZINC001173581866	962452268	/nfs/dbraw/zinc/45/22/68/962452268.db2.gz	KSDHVVUFDDJNJE-XGBSXSJOSA-N	1	0	369.421	1.927	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCOCCO)C1	ZINC001182869864	962615581	/nfs/dbraw/zinc/61/55/81/962615581.db2.gz	YEVZEJVOYBEVBG-VUHPKUFZSA-N	1	0	354.491	1.051	20	30		FDEDRO
C=CCOCc1nn(C)c2c1C[N@H+]([C@@H]1CCC[C@H](n3ncnn3)C1)CC2	ZINC001173755785	962631529	/nfs/dbraw/zinc/63/15/29/962631529.db2.gz	WIXFYUSYYMKGLT-CABCVRRESA-N	1	0	357.462	1.651	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CCO[C@]2(CCCN(c3cnccn3)C2)C1	ZINC001183043794	962756632	/nfs/dbraw/zinc/75/66/32/962756632.db2.gz	ZXYPANXKMCSSKF-FQEVSTJZSA-N	1	0	371.485	1.326	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1	ZINC001183043710	962756900	/nfs/dbraw/zinc/75/69/00/962756900.db2.gz	WIHDXTBBKRNROZ-QZTJIDSGSA-N	1	0	354.454	1.435	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](O)COC)cc1	ZINC001110172665	962929549	/nfs/dbraw/zinc/92/95/49/962929549.db2.gz	GOOYOBKPJWKCEJ-UMGGQSCQSA-N	1	0	374.481	1.523	20	30		FDEDRO
C[C@]1(O)C=C[C@H](O)C(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)=C1	ZINC001183544073	963102994	/nfs/dbraw/zinc/10/29/94/963102994.db2.gz	KJUSZUSDEGJULG-ICSRJNTNSA-N	1	0	367.449	1.269	20	30		FDEDRO
C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1	ZINC001175237660	963105676	/nfs/dbraw/zinc/10/56/76/963105676.db2.gz	RETNFMCMDHQYCE-YESZJQIVSA-N	1	0	351.491	1.607	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=O)NCC1CCC1	ZINC001175360104	963165623	/nfs/dbraw/zinc/16/56/23/963165623.db2.gz	YOZNNUDWTGWQEU-NXHRZFHOSA-N	1	0	365.518	1.758	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1ccnc(OC)n1	ZINC001175365503	963169576	/nfs/dbraw/zinc/16/95/76/963169576.db2.gz	MRVVMKATCMPOOY-OIISXLGYSA-N	1	0	362.474	1.841	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cccnc1	ZINC001175389616	963186170	/nfs/dbraw/zinc/18/61/70/963186170.db2.gz	SVPINRQUNXVBDY-RYQLBKOJSA-N	1	0	356.470	1.199	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2	ZINC001110190929	963324934	/nfs/dbraw/zinc/32/49/34/963324934.db2.gz	YSQFSCRBEWTULR-RDGPPVDQSA-N	1	0	374.529	1.112	20	30		FDEDRO
C#CC[C@]1(C(=O)n2ccc(C[NH3+])cc2=N)CCCN1C(=O)OC(C)(C)C	ZINC001184102163	963430688	/nfs/dbraw/zinc/43/06/88/963430688.db2.gz	JMRWQGJHALEQLJ-LJQANCHMSA-N	1	0	358.442	1.859	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F	ZINC001176511446	963459082	/nfs/dbraw/zinc/45/90/82/963459082.db2.gz	IPVRMUZYNZBHTA-AEGPPILISA-N	1	0	365.424	1.855	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1C[C@H](CO)[C@@H](CCO)C1	ZINC001176959249	963619028	/nfs/dbraw/zinc/61/90/28/963619028.db2.gz	KYEKBRGCWQVDAW-OWCLPIDISA-N	1	0	363.433	1.384	20	30		FDEDRO
CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)c2cc(Cl)c(C#N)c(Cl)n2)O1	ZINC001184817588	963725313	/nfs/dbraw/zinc/72/53/13/963725313.db2.gz	AMURNGNUWVXDKH-JMSVASOKSA-N	1	0	373.240	1.715	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[C@@H](C)O1	ZINC001177427722	963838313	/nfs/dbraw/zinc/83/83/13/963838313.db2.gz	OEXJIRSGDRTGMV-SJLPKXTDSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CCC[NH2+][C@@H](C)C(N)=O)CC1CCCC1	ZINC001177440668	963846084	/nfs/dbraw/zinc/84/60/84/963846084.db2.gz	PCCKEBRFQQPTCP-SZMVWBNQSA-N	1	0	365.518	1.840	20	30		FDEDRO
O=C(C#Cc1ccccn1)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001177800759	963974188	/nfs/dbraw/zinc/97/41/88/963974188.db2.gz	IAAVSPIIOBWNQN-UYAOXDASSA-N	1	0	365.408	1.936	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)C1	ZINC001185767781	964092887	/nfs/dbraw/zinc/09/28/87/964092887.db2.gz	JRFNNVXFFWNMFT-VAMGGRTRSA-N	1	0	367.493	1.900	20	30		FDEDRO
N#Cc1ccc(I)c(C(=O)NC(=N)SCC[NH3+])c1	ZINC001185815740	964140694	/nfs/dbraw/zinc/14/06/94/964140694.db2.gz	RKIHFDFDDRKYLZ-UHFFFAOYSA-N	1	0	374.207	1.519	20	30		FDEDRO
C=CCNCc1cn([C@H]2CCCN(C(=O)[C@]34CCC[C@H]3OCC4)C2)nn1	ZINC001185973996	964242838	/nfs/dbraw/zinc/24/28/38/964242838.db2.gz	FTQYDYMJUVDIFB-SCTDSRPQSA-N	1	0	359.474	1.676	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC(C)(C)C)[C@@H]1C	ZINC001178725493	964362367	/nfs/dbraw/zinc/36/23/67/964362367.db2.gz	MCKIZARSXNUOSV-FZKCQIBNSA-N	1	0	351.491	1.461	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC(C)C)[C@@H]1C	ZINC001178725506	964362874	/nfs/dbraw/zinc/36/28/74/964362874.db2.gz	NAPFKILTFXBPLK-YVSFHVDLSA-N	1	0	351.491	1.319	20	30		FDEDRO
C#CCC[NH2+]C[C@H]1CN(C(=O)[C@]23CCC[C@H]2OCC3)CC12CCOCC2	ZINC001186424178	964503152	/nfs/dbraw/zinc/50/31/52/964503152.db2.gz	GOYMFTSFQLFALA-UEXGIBASSA-N	1	0	360.498	1.814	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC12CCOCC2	ZINC001186493595	964521626	/nfs/dbraw/zinc/52/16/26/964521626.db2.gz	DCMAEVDWYKFSOD-IXDOHACOSA-N	1	0	363.502	1.309	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C)O2)CC12CCOCC2	ZINC001186503463	964531627	/nfs/dbraw/zinc/53/16/27/964531627.db2.gz	HGPNYKDEXYBGJU-KZNAEPCWSA-N	1	0	366.502	1.601	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000775046754	964666423	/nfs/dbraw/zinc/66/64/23/964666423.db2.gz	YTEGCCPPWAGWMT-AWEZNQCLSA-N	1	0	366.259	1.402	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COc1cccc(C)c1	ZINC001110385036	964782807	/nfs/dbraw/zinc/78/28/07/964782807.db2.gz	JCUMRSNBHKVBFX-LFGUQSLTSA-N	1	0	374.481	1.659	20	30		FDEDRO
CC(C)(C)N1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CSCC#N)[C@@H]3C2)C1=O	ZINC001186917194	964876729	/nfs/dbraw/zinc/87/67/29/964876729.db2.gz	IMNSLHKJDRVENM-RRFJBIMHSA-N	1	0	364.515	1.175	20	30		FDEDRO
N#C[C@H]1C[C@H]1C(=O)N(c1nc(N2CCCC2)nc2c1C[NH2+]CC2)C1CC1	ZINC001186974258	964918430	/nfs/dbraw/zinc/91/84/30/964918430.db2.gz	CPCPITCSBBOSQC-TZMCWYRMSA-N	1	0	352.442	1.378	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+][C@H](C)C(=O)NC1CC1	ZINC001179638736	964942121	/nfs/dbraw/zinc/94/21/21/964942121.db2.gz	WZISMYOKQVVLFJ-OIISXLGYSA-N	1	0	351.491	1.511	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCCCC[NH2+]CC(=O)N(C)C1CC1	ZINC001179797322	964993039	/nfs/dbraw/zinc/99/30/39/964993039.db2.gz	WRXYVIAPWAOXHZ-HKUYNNGSSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@@H+](CCOCC(F)(F)C(F)F)C[C@H]21	ZINC001187320108	965243847	/nfs/dbraw/zinc/24/38/47/965243847.db2.gz	JNCXGFFBJTUMBW-QWHCGFSZSA-N	1	0	368.371	1.639	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C)c(OC)c3)C[C@H]21	ZINC001187591414	965509866	/nfs/dbraw/zinc/50/98/66/965509866.db2.gz	KXQORUCIWJSUQL-ZWKOTPCHSA-N	1	0	369.465	1.176	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H](CC)c3ccc(F)cc3)C[C@H]21	ZINC001187598167	965517511	/nfs/dbraw/zinc/51/75/11/965517511.db2.gz	GNSHLOZFTKXWCC-YTQUADARSA-N	1	0	371.456	1.949	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](CCOc3ccc(C)cc3)C[C@H]21	ZINC001187597732	965517686	/nfs/dbraw/zinc/51/76/86/965517686.db2.gz	BHORIJYFHSWWAM-PKOBYXMFSA-N	1	0	369.465	1.046	20	30		FDEDRO
C[C@@H](C(=O)N1CCC[C@@]2(C1)COCCN(c1cccc(C#N)c1)C2)[NH+](C)C	ZINC001180864242	965658855	/nfs/dbraw/zinc/65/88/55/965658855.db2.gz	MZZYYDUTNZHLBF-LAUBAEHRSA-N	1	0	370.497	1.954	20	30		FDEDRO
Cc1csc2nc(CN3[C@@H]4CC[C@H]3[C@H](NC(=O)[C@@H](C)C#N)C4)cc(=O)n12	ZINC001110395835	965667694	/nfs/dbraw/zinc/66/76/94/965667694.db2.gz	GPPWPBQQICJLJJ-QOWREQOWSA-N	1	0	371.466	1.446	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C(=O)NC)cc3)C[C@H]21	ZINC001187756190	965721306	/nfs/dbraw/zinc/72/13/06/965721306.db2.gz	XRFJAHALMYLLGR-UEXGIBASSA-N	1	0	371.481	1.406	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21	ZINC001187756088	965722255	/nfs/dbraw/zinc/72/22/55/965722255.db2.gz	WHUVRCOLWRRFMF-DSKINZAPSA-N	1	0	369.465	1.949	20	30		FDEDRO
CC(C)C#CC(=O)N1CC[C@H]2C[N@H+](C[C@@H](O)Cc3ccc(F)cc3)C[C@H]21	ZINC001187840794	965781447	/nfs/dbraw/zinc/78/14/47/965781447.db2.gz	KWIRJZPYXAQADI-YSIASYRMSA-N	1	0	358.457	1.921	20	30		FDEDRO
C=CCCOCCCCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21	ZINC001187903743	965843242	/nfs/dbraw/zinc/84/32/42/965843242.db2.gz	JBWVDOLJELSAPN-OKZBNKHCSA-N	1	0	363.502	1.513	20	30		FDEDRO
C[C@@H](CC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21)NC(N)=O	ZINC001187911090	965852792	/nfs/dbraw/zinc/85/27/92/965852792.db2.gz	AQPZQHFXBHHDBP-RRQGHBQHSA-N	1	0	355.442	1.038	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)CCc3ccccc3)C[C@H]21	ZINC001187874293	965870707	/nfs/dbraw/zinc/87/07/07/965870707.db2.gz	QXZOZXGFXOHCJW-PCCBWWKXSA-N	1	0	370.493	1.553	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]21)OCC	ZINC001188095699	966006758	/nfs/dbraw/zinc/00/67/58/966006758.db2.gz	QFQMMUDHTSGSOY-RCCFBDPRSA-N	1	0	363.502	1.513	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1	ZINC000957620364	1013630418	/nfs/dbraw/zinc/63/04/18/1013630418.db2.gz	HOIMDUAHHFAVKR-QKHJZNESSA-N	1	0	361.486	1.025	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCN(c4ccccc4)C3)[C@@H]2C1	ZINC001188314930	966193780	/nfs/dbraw/zinc/19/37/80/966193780.db2.gz	QOBQXTHWELXKGF-QKNQBKEWSA-N	1	0	367.493	1.695	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C)cn4ccnc34)[C@@H]2C1	ZINC001188635937	966480864	/nfs/dbraw/zinc/48/08/64/966480864.db2.gz	DJCPUYWRTFUYRR-FUHWJXTLSA-N	1	0	352.438	1.439	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@H](CC)c2ccc3c(c2)OCCO3)CC1	ZINC000775202581	966596976	/nfs/dbraw/zinc/59/69/76/966596976.db2.gz	KMYHLQLFSLTTDA-QGZVFWFLSA-N	1	0	357.454	1.276	20	30		FDEDRO
CCN(CCC#N)C(=O)CN1C[C@@H]2CCN(C(=O)CCCC3CC3)[C@@H]2C1	ZINC001188866785	966606631	/nfs/dbraw/zinc/60/66/31/966606631.db2.gz	OLSYJQJNENGRBJ-ZWKOTPCHSA-N	1	0	360.502	1.862	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4cnc(C)n4C3)[C@@H]2C1	ZINC001188947982	966663201	/nfs/dbraw/zinc/66/32/01/966663201.db2.gz	APWNTYRRAXMESE-YQVWRLOYSA-N	1	0	358.486	1.489	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N2CC[C@H]3CN(Cc4ccc(C#N)s4)C[C@H]32)CC1	ZINC001188963141	966676465	/nfs/dbraw/zinc/67/64/65/966676465.db2.gz	KMDZTEDIPCBKQN-WMLDXEAASA-N	1	0	358.511	1.994	20	30		FDEDRO
C=CCCCC(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]21	ZINC001189006269	966696398	/nfs/dbraw/zinc/69/63/98/966696398.db2.gz	BERVOUDMBXMUPB-JKSUJKDBSA-N	1	0	350.507	1.973	20	30		FDEDRO
C=CCCCC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21	ZINC001189006323	966696937	/nfs/dbraw/zinc/69/69/37/966696937.db2.gz	CAFVVMNRAKXNNH-IXDOHACOSA-N	1	0	354.516	1.700	20	30		FDEDRO
COC[C@@H](OC)C(=O)N1CC[C@H]2CN(Cc3ccc(C#N)c(F)c3)C[C@H]21	ZINC001189068272	966731420	/nfs/dbraw/zinc/73/14/20/966731420.db2.gz	FGIUSYJOZNHYTK-CGTJXYLNSA-N	1	0	361.417	1.391	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCn3ccnc3C(C)C)[C@@H]2C1	ZINC001189317161	966907203	/nfs/dbraw/zinc/90/72/03/966907203.db2.gz	HMBCZRHCEUZYQU-ZWKOTPCHSA-N	1	0	358.486	1.579	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852307666	967205514	/nfs/dbraw/zinc/20/55/14/967205514.db2.gz	CDBSOLZLGANJKE-GFCCVEGCSA-N	1	0	356.467	1.622	20	30		FDEDRO
N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CC[C@H](Cn2ccnn2)C1	ZINC000852314621	967212150	/nfs/dbraw/zinc/21/21/50/967212150.db2.gz	IXZUESBTBROUPO-GOEBONIOSA-N	1	0	373.420	1.837	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)N(C)CC)CCOCC1	ZINC001110649346	967280465	/nfs/dbraw/zinc/28/04/65/967280465.db2.gz	DVCNVDLYJHOZLM-ZACQAIPSSA-N	1	0	361.486	1.006	20	30		FDEDRO
CO[C@]1(CO)CCC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1	ZINC000852410300	967281324	/nfs/dbraw/zinc/28/13/24/967281324.db2.gz	AFORSHFIGBIMHL-FOIQADDNSA-N	1	0	366.421	1.697	20	30		FDEDRO
N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](N3CCOC3=O)C2)sc2c1CCC2	ZINC000852436516	967306965	/nfs/dbraw/zinc/30/69/65/967306965.db2.gz	ZXWPVMGRXZUSFU-GFCCVEGCSA-N	1	0	374.466	1.964	20	30		FDEDRO
COCC#CCN1C[C@@H]2CCN(C(=O)c3sc(COC)nc3C)[C@@H]2C1	ZINC001189970324	967426735	/nfs/dbraw/zinc/42/67/35/967426735.db2.gz	ZHJWUBKZRZLBND-LSDHHAIUSA-N	1	0	363.483	1.394	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H]2CCNC(=O)CC2)CCC1	ZINC001110652809	967465413	/nfs/dbraw/zinc/46/54/13/967465413.db2.gz	VVBMGSLKWAIEJJ-TVFCKZIOSA-N	1	0	357.498	1.818	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)[C@@H]2C1	ZINC001190019659	967467646	/nfs/dbraw/zinc/46/76/46/967467646.db2.gz	HPCFBRBOKHKFAU-QLFBSQMISA-N	1	0	362.474	1.204	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3nc4nccc(C)n4n3)[C@@H]2C1	ZINC001190020245	967471138	/nfs/dbraw/zinc/47/11/38/967471138.db2.gz	YAQXZAQLIUAGPM-CWRNSKLLSA-N	1	0	354.458	1.934	20	30		FDEDRO
C#C[C@H](NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1)C1CCOCC1	ZINC000852645215	967497185	/nfs/dbraw/zinc/49/71/85/967497185.db2.gz	ZRUPYPPTSOAIDZ-IBGZPJMESA-N	1	0	363.502	1.701	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4nccnc4c3)[C@@H]2C1	ZINC001190072567	967546753	/nfs/dbraw/zinc/54/67/53/967546753.db2.gz	ROAGOGNVTFIQDF-QFBILLFUSA-N	1	0	352.438	1.979	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CCNC(=O)c3ccco3)[C@@H]2C1	ZINC001190082102	967549388	/nfs/dbraw/zinc/54/93/88/967549388.db2.gz	MDMNRVAMHNDMFU-JKSUJKDBSA-N	1	0	361.442	1.135	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1C[C@@H]2CCN(C(=O)c3c[nH]cc3C)[C@@H]2C1	ZINC001190140450	967554287	/nfs/dbraw/zinc/55/42/87/967554287.db2.gz	ROXTVYZUCIHCGT-FUHWJXTLSA-N	1	0	358.486	1.894	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3csc4nccn34)[C@@H]2C1	ZINC001190186112	967600322	/nfs/dbraw/zinc/60/03/22/967600322.db2.gz	YCLHWBIXBRVMHN-GOEBONIOSA-N	1	0	358.467	1.121	20	30		FDEDRO
NC(=O)c1ccc(N2CCCCC2)c(NC(=O)C#CC2CC[NH2+]CC2)c1	ZINC000852805762	967620418	/nfs/dbraw/zinc/62/04/18/967620418.db2.gz	KZVFYTCPVFXGCI-UHFFFAOYSA-N	1	0	354.454	1.717	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c([nH]c3=O)CCC4)[C@@H]2C1	ZINC001190176349	967627433	/nfs/dbraw/zinc/62/74/33/967627433.db2.gz	FUOPHZQGQKSSNA-MAUKXSAKSA-N	1	0	355.438	1.072	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NCc1cccc(NC(=O)[C@H]2CCCO2)c1	ZINC000852822990	967634511	/nfs/dbraw/zinc/63/45/11/967634511.db2.gz	BDOHVJIJOGWLJH-GOSISDBHSA-N	1	0	355.438	1.423	20	30		FDEDRO
C[C@](NC(=O)C#CC1CC[NH2+]CC1)(C(N)=O)c1cccc(C(F)(F)F)c1	ZINC000852851046	967656255	/nfs/dbraw/zinc/65/62/55/967656255.db2.gz	XHWNZCDHFZKPIR-QGZVFWFLSA-N	1	0	367.371	1.525	20	30		FDEDRO
C[NH2+]CCCC(=O)N1CCC(NC(=O)c2ccc(C#N)c(OC)c2)CC1	ZINC000852869875	967675782	/nfs/dbraw/zinc/67/57/82/967675782.db2.gz	GKRSQEUFMGJKBC-UHFFFAOYSA-N	1	0	358.442	1.287	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1	ZINC000852887453	967690216	/nfs/dbraw/zinc/69/02/16/967690216.db2.gz	AFJYRIBVVOFNFS-KRWDZBQOSA-N	1	0	367.428	1.518	20	30		FDEDRO
CC(C)C[C@H](NC(=O)C#CC1CC[NH2+]CC1)c1nc(-c2nc[nH]n2)no1	ZINC000852887181	967690459	/nfs/dbraw/zinc/69/04/59/967690459.db2.gz	HPKANPRQHUVXAS-ZDUSSCGKSA-N	1	0	357.418	1.061	20	30		FDEDRO
CN1C(=O)C[C@H](NC(=O)C#CC2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)cc1	ZINC000852890249	967692788	/nfs/dbraw/zinc/69/27/88/967692788.db2.gz	XAYNCAZCKUQODU-LPHOPBHVSA-N	1	0	359.857	1.731	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc[nH]3)[C@@H]2C1	ZINC001190263401	967701446	/nfs/dbraw/zinc/70/14/46/967701446.db2.gz	SMOMLCKASPVWOM-FUHWJXTLSA-N	1	0	356.470	1.291	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CNC(=O)c3ccccn3)[C@@H]2C1	ZINC001190305303	967720342	/nfs/dbraw/zinc/72/03/42/967720342.db2.gz	MSDRWNGTTXCWAZ-SOLBZPMBSA-N	1	0	356.470	1.699	20	30		FDEDRO
C#C[C@@H]([NH2+]C[C@H](O)COc1ccc(CCC(C)=O)cc1)C1CCOCC1	ZINC000853115442	967840554	/nfs/dbraw/zinc/84/05/54/967840554.db2.gz	JFDVYXGZCPQHHJ-PZJWPPBQSA-N	1	0	359.466	1.966	20	30		FDEDRO
C#C[C@H]([NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2)C1CCOCC1	ZINC000853116584	967840947	/nfs/dbraw/zinc/84/09/47/967840947.db2.gz	JTTUDNVPEGCZTR-WMZOPIPTSA-N	1	0	358.438	1.329	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](CCC(=O)OCC)C(=O)OCC	ZINC001190494120	967928890	/nfs/dbraw/zinc/92/88/90/967928890.db2.gz	BWOJHBVQDAKGGE-GJZGRUSLSA-N	1	0	369.462	1.211	20	30		FDEDRO
COc1ccccc1CN(C)C(=O)CON=C(N)C[NH+]1CCCCCC1	ZINC000111178594	967929917	/nfs/dbraw/zinc/92/99/17/967929917.db2.gz	WUTZCPCUVQIOSY-UHFFFAOYSA-N	1	0	362.474	1.818	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCCOC(C)C)[C@@H]3C2)C1=O	ZINC001190495981	967930804	/nfs/dbraw/zinc/93/08/04/967930804.db2.gz	WDXCNSADQSOMFT-RCCFBDPRSA-N	1	0	363.502	1.511	20	30		FDEDRO
N#Cc1ccc(C(=O)N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)nc1	ZINC001190597312	967974968	/nfs/dbraw/zinc/97/49/68/967974968.db2.gz	MPMJPTDSTMVNQJ-UHFFFAOYSA-N	1	0	350.382	1.330	20	30		FDEDRO
CC[NH+](CC)CCN1c2ccccc2C(=NNc2nnc(C)n2C)C1=O	ZINC000853434612	968013399	/nfs/dbraw/zinc/01/33/99/968013399.db2.gz	BGPMFTXTEMJAKG-UHFFFAOYSA-N	1	0	355.446	1.628	20	30		FDEDRO
N#Cc1ccc(F)c(S(=O)(=O)N[C@H]2CC[N@@H+](C3CCOCC3)C2)c1	ZINC001190677125	968025412	/nfs/dbraw/zinc/02/54/12/968025412.db2.gz	JGCQHDQWQVOCCK-ZDUSSCGKSA-N	1	0	353.419	1.229	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CC#Cc2ccc(F)cc2)C1	ZINC001190735022	968055573	/nfs/dbraw/zinc/05/55/73/968055573.db2.gz	VQGGYOGRWQYGCV-SNRMKQJTSA-N	1	0	360.429	1.514	20	30		FDEDRO
C=CCC1(S(=O)(=O)NCc2cccc(CN3CC[NH+](C)CC3)c2)CC1	ZINC001190821975	968108552	/nfs/dbraw/zinc/10/85/52/968108552.db2.gz	PEIFMOYRYSUUDX-UHFFFAOYSA-N	1	0	363.527	1.962	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccc(C(=O)NC3(C#N)CCOCC3)cc2)CC1	ZINC001190866065	968142990	/nfs/dbraw/zinc/14/29/90/968142990.db2.gz	NUBBGIBUMMCQHQ-UHFFFAOYSA-N	1	0	356.470	1.627	20	30		FDEDRO
CCN(CCC#N)C(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1	ZINC001191293333	968401492	/nfs/dbraw/zinc/40/14/92/968401492.db2.gz	BYXFMDBNOIMFOG-BRWVUGGUSA-N	1	0	362.518	1.963	20	30		FDEDRO
C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](CO)C[NH+](C)C)s1	ZINC000854467581	968916282	/nfs/dbraw/zinc/91/62/82/968916282.db2.gz	IZMIPCPZMGPSDV-LLVKDONJSA-N	1	0	363.936	1.877	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1CN([C@@H]2CCc3ccc(F)cc32)C[C@H]1O	ZINC001192078185	968923333	/nfs/dbraw/zinc/92/33/33/968923333.db2.gz	BZNGSAUDOOYLQE-GUDVDZBRSA-N	1	0	362.445	1.957	20	30		FDEDRO
C#CCN(CC(=O)NCC1(SC)CC[NH+](C)CC1)C(=O)OC(C)(C)C	ZINC000854522878	968959016	/nfs/dbraw/zinc/95/90/16/968959016.db2.gz	NNDWARYEJSPIAY-UHFFFAOYSA-N	1	0	369.531	1.800	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCCCn2cncn2)C1	ZINC001192427506	969103618	/nfs/dbraw/zinc/10/36/18/969103618.db2.gz	YASTUFGNEWWQRX-KURKYZTESA-N	1	0	361.490	1.572	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(CC(C)C)cc2)C[C@H]1O	ZINC001192541090	969181524	/nfs/dbraw/zinc/18/15/24/969181524.db2.gz	VFGHIQHVLHTIJY-SBHAEUEKSA-N	1	0	360.498	1.874	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH3+])(C(=O)NCc3ccccc3)CC2)o1	ZINC001192692148	969236455	/nfs/dbraw/zinc/23/64/55/969236455.db2.gz	SUZOEMMLSDJUID-UHFFFAOYSA-N	1	0	352.394	1.401	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2sccc2C)C1	ZINC001192915922	969364295	/nfs/dbraw/zinc/36/42/95/969364295.db2.gz	HRYDGCFNKCPQHX-KLHDSHLOSA-N	1	0	350.484	1.524	20	30		FDEDRO
N#Cc1ccncc1C(=O)NCC(=O)N1CC[NH+](C2CCCCC2)CC1	ZINC001192981558	969391162	/nfs/dbraw/zinc/39/11/62/969391162.db2.gz	QOFVOHBMWQJYMN-UHFFFAOYSA-N	1	0	355.442	1.160	20	30		FDEDRO
N#Cc1ccncc1C(=O)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1	ZINC001192968243	969408721	/nfs/dbraw/zinc/40/87/21/969408721.db2.gz	WQQBDNDYMWBZAL-UHFFFAOYSA-N	1	0	373.420	1.537	20	30		FDEDRO
N#Cc1ccncc1C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001192971999	969412007	/nfs/dbraw/zinc/41/20/07/969412007.db2.gz	ZXMKLWHJAWSZIM-ROUUACIJSA-N	1	0	363.421	1.464	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)N[C@H]1CCN(Cc2cccc(Br)c2)C1	ZINC001193178483	969552697	/nfs/dbraw/zinc/55/26/97/969552697.db2.gz	JDTHUNVDJHBHGY-RISCZKNCSA-N	1	0	372.288	1.855	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1CN(CCOCC(F)(F)F)C[C@H]1O)OCC	ZINC001193422272	969697633	/nfs/dbraw/zinc/69/76/33/969697633.db2.gz	NVZQDOSSVKJJLO-MGPQQGTHSA-N	1	0	368.396	1.098	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNC(=O)C(F)(F)F	ZINC001110459708	969704869	/nfs/dbraw/zinc/70/48/69/969704869.db2.gz	YLTBYAZECZSEBA-KFWWJZLASA-N	1	0	373.419	1.970	20	30		FDEDRO
N#Cc1ccc(I)cc1C(=O)N1CC[N@@H+]2CC[C@@H]2C1	ZINC001193581558	969747312	/nfs/dbraw/zinc/74/73/12/969747312.db2.gz	NXVWZKHXWPPMRD-GFCCVEGCSA-N	1	0	367.190	1.693	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]ncc2C(F)(F)F)C1	ZINC001193638191	969781075	/nfs/dbraw/zinc/78/10/75/969781075.db2.gz	QBBOOQKYKZWDAM-CHWSQXEVSA-N	1	0	360.380	1.950	20	30		FDEDRO
C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc(=O)n2ncc(C#N)c2[nH]1	ZINC001193743200	969825532	/nfs/dbraw/zinc/82/55/32/969825532.db2.gz	KQRGXDUXQZUXRA-UHFFFAOYSA-N	1	0	352.354	1.889	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O	ZINC001193892469	969911571	/nfs/dbraw/zinc/91/15/71/969911571.db2.gz	OVQDWLDFMHBICU-IPMKNSEASA-N	1	0	356.470	1.094	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2CCOC)C1	ZINC001193996264	969965318	/nfs/dbraw/zinc/96/53/18/969965318.db2.gz	BDWCWALMIQASLM-NVXWUHKLSA-N	1	0	352.479	1.275	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2-n2ccnn2)C1	ZINC001193998245	969967379	/nfs/dbraw/zinc/96/73/79/969967379.db2.gz	QRPWWUUSLSMACZ-GZBFAFLISA-N	1	0	361.471	1.458	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(cc[nH]c3=O)n2)C1	ZINC001194283219	970108146	/nfs/dbraw/zinc/10/81/46/970108146.db2.gz	PUWITCQVLLVZBW-JCURWCKSSA-N	1	0	356.426	1.465	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCc2nnc(C)s2)C1	ZINC001194450878	970171597	/nfs/dbraw/zinc/17/15/97/970171597.db2.gz	JHDMXMWNPIHUKC-HUUCEWRRSA-N	1	0	368.503	1.271	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2N2CCCC2)C1	ZINC001194443374	970196984	/nfs/dbraw/zinc/19/69/84/970196984.db2.gz	LHMCQLMUNFSDFP-CGTJXYLNSA-N	1	0	358.486	1.811	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)c3cccnc23)C1	ZINC001194776748	970380560	/nfs/dbraw/zinc/38/05/60/970380560.db2.gz	BHMXSWVGVNFGQY-QZTJIDSGSA-N	1	0	355.438	1.521	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1	ZINC000855461250	970393202	/nfs/dbraw/zinc/39/32/02/970393202.db2.gz	OBPNDEGFJJSLQL-MRXNPFEDSA-N	1	0	355.438	1.262	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](CC2CC3(CCC3)C2)C[C@H]1O	ZINC001195020037	970647394	/nfs/dbraw/zinc/64/73/94/970647394.db2.gz	DOPWJBORYBRGSX-ZHALLVOQSA-N	1	0	350.503	1.957	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCc1ccc(C)cc1	ZINC001110465601	970661726	/nfs/dbraw/zinc/66/17/26/970661726.db2.gz	KWBYMSBBQGWNJM-AQNXPRMDSA-N	1	0	367.493	1.789	20	30		FDEDRO
C=C(C)[C@H](CO)[N@@H+]1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1	ZINC000776837281	970685548	/nfs/dbraw/zinc/68/55/48/970685548.db2.gz	GPCGAHBVJHQVEB-HOTGVXAUSA-N	1	0	367.490	1.467	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)Nc2ccccc2)C1	ZINC001195119525	970703943	/nfs/dbraw/zinc/70/39/43/970703943.db2.gz	QJIZZTGNVZRIQF-USXIJHARSA-N	1	0	360.458	1.324	20	30		FDEDRO
C[NH+](C)CC1(O)CCN(S(=O)(=O)c2ccc(CCC#N)cc2)CC1	ZINC001195144168	970720675	/nfs/dbraw/zinc/72/06/75/970720675.db2.gz	AEVAVCCKOQBDOM-UHFFFAOYSA-N	1	0	351.472	1.220	20	30		FDEDRO
CN(CCC[NH+](C)C)Cc1ccc(C(=O)N2CCN(CCC#N)CC2)cc1	ZINC001198018280	972644791	/nfs/dbraw/zinc/64/47/91/972644791.db2.gz	GGSMXLAIKMLALB-UHFFFAOYSA-N	1	0	371.529	1.742	20	30		FDEDRO
O=S(=O)(c1ccccc1N=NC1C[N@@H+]2C[C@@H]1CCC2)N1CCOCC1	ZINC000863097052	972665251	/nfs/dbraw/zinc/66/52/51/972665251.db2.gz	BXAIUHXOVWJZGW-AWEZNQCLSA-N	1	0	364.471	1.201	20	30		FDEDRO
COC(=O)N1CCC[C@H]([C@H](C)[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000775810862	972673218	/nfs/dbraw/zinc/67/32/18/972673218.db2.gz	JUHZIFAELQIWDX-BHYGNILZSA-N	1	0	361.442	1.754	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCOCC2)C1=O	ZINC000863384614	972865065	/nfs/dbraw/zinc/86/50/65/972865065.db2.gz	VYTGBXOMWCRLHD-CQSZACIVSA-N	1	0	353.463	1.437	20	30		FDEDRO
C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)CCCN1CC[NH+](C)CC1	ZINC000867260929	972874623	/nfs/dbraw/zinc/87/46/23/972874623.db2.gz	FFDRQFXAJUVHSM-IBGZPJMESA-N	1	0	363.527	1.178	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2Cc3ccc(Cl)cc32)C1	ZINC001198239516	972926790	/nfs/dbraw/zinc/92/67/90/972926790.db2.gz	NOTBQMCEJCPYQQ-BRWVUGGUSA-N	1	0	350.846	1.344	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+](CCC[C@H]3CCOC3)C[C@H]2O)CCOCC1	ZINC001198239101	972927246	/nfs/dbraw/zinc/92/72/46/972927246.db2.gz	FCALFUGZIFZACZ-RCCFBDPRSA-N	1	0	366.502	1.337	20	30		FDEDRO
C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1	ZINC000863553548	973011475	/nfs/dbraw/zinc/01/14/75/973011475.db2.gz	DVVYLCOJIPLDGZ-CABCVRRESA-N	1	0	355.479	1.808	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+]C[C@@H](O)CC1(C#N)CCOCC1	ZINC000863557181	973014287	/nfs/dbraw/zinc/01/42/87/973014287.db2.gz	LHCFAWVFJPDRRJ-CAOSSQGBSA-N	1	0	365.474	1.513	20	30		FDEDRO
CC(C)(C)OC(=O)NC1(C[NH2+]C[C@@H](O)CC(C)(C)C#N)CCOCC1	ZINC000863572524	973025783	/nfs/dbraw/zinc/02/57/83/973025783.db2.gz	ALXSEIRBHLMWOU-AWEZNQCLSA-N	1	0	355.479	1.951	20	30		FDEDRO
C#CC[C@@H](COC)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1	ZINC000863589510	973037851	/nfs/dbraw/zinc/03/78/51/973037851.db2.gz	QHTUEYRTSSRAJF-KBPBESRZSA-N	1	0	360.223	1.956	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COc2c(C)cc(C)cc2C)C1	ZINC001198400322	973062387	/nfs/dbraw/zinc/06/23/87/973062387.db2.gz	LKHZDTVCWCENJG-QZTJIDSGSA-N	1	0	362.470	1.355	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COc2ccc(OCC)cc2)C1	ZINC001198392021	973102758	/nfs/dbraw/zinc/10/27/58/973102758.db2.gz	BGVKYYOKSDKXER-ATZDWAIDSA-N	1	0	362.470	1.980	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)OCCO3)C1	ZINC001198559464	973249991	/nfs/dbraw/zinc/24/99/91/973249991.db2.gz	WWXAFSCHDKCWRC-IAGOWNOFSA-N	1	0	360.454	1.979	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c(C)csc2=O)C1	ZINC001198564517	973256839	/nfs/dbraw/zinc/25/68/39/973256839.db2.gz	DTYLRPSRHPEJLK-HUUCEWRRSA-N	1	0	355.504	1.350	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)CCc2cccc(F)c2)C1	ZINC001198864265	973604633	/nfs/dbraw/zinc/60/46/33/973604633.db2.gz	XKEXJDVMRXEHNP-ATZDWAIDSA-N	1	0	364.461	1.758	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCCO)c1ccccc1OC	ZINC001198931744	973701607	/nfs/dbraw/zinc/70/16/07/973701607.db2.gz	FAJBASRSYYDEGW-SCTDSRPQSA-N	1	0	362.470	1.806	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C(=O)CCC)C1	ZINC001198955496	973735761	/nfs/dbraw/zinc/73/57/61/973735761.db2.gz	FPOUFKURQFOIPO-KZNAEPCWSA-N	1	0	367.534	1.909	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C	ZINC000864793298	973831716	/nfs/dbraw/zinc/83/17/16/973831716.db2.gz	VWAIJKWSWRNYNG-INIZCTEOSA-N	1	0	360.458	1.972	20	30		FDEDRO
CN1CC[N@H+](CCCNC(=O)[C@@]2(C#N)CCCOC2)[C@@H](c2ccccc2)C1	ZINC000864829876	973868617	/nfs/dbraw/zinc/86/86/17/973868617.db2.gz	VGIRISYIIKLTRX-TZIWHRDSSA-N	1	0	370.497	1.802	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3onc(CC)c3c2)C1	ZINC001199127378	973927094	/nfs/dbraw/zinc/92/70/94/973927094.db2.gz	AQCNHDLNSIVRKN-JCURWCKSSA-N	1	0	358.442	1.915	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCc3ccccc32)C1	ZINC001199210052	974022951	/nfs/dbraw/zinc/02/29/51/974022951.db2.gz	BYQHNXXMYVSKEV-XUVXKRRUSA-N	1	0	358.482	1.861	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Cn2ccc(Br)cc2=O)CC1	ZINC000865193531	974174566	/nfs/dbraw/zinc/17/45/66/974174566.db2.gz	MNSCOBWDZVERFQ-UHFFFAOYSA-N	1	0	368.275	1.768	20	30		FDEDRO
C=C(Cl)C[C@H]1NC(=O)N(Cc2ccnc(OCC[NH+](C)C)c2)C1=O	ZINC000865307692	974224831	/nfs/dbraw/zinc/22/48/31/974224831.db2.gz	TZGZKXSRHXGWNX-CYBMUJFWSA-N	1	0	352.822	1.585	20	30		FDEDRO
CC1CCC(OCC(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@H]2O)CC1	ZINC001199406114	974262743	/nfs/dbraw/zinc/26/27/43/974262743.db2.gz	NHMKYJRWWHHPAD-CVMOCDCISA-N	1	0	371.481	1.815	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]2O)CCCC1	ZINC001199567496	974373426	/nfs/dbraw/zinc/37/34/26/974373426.db2.gz	QYTXVRPPWVRSFA-ARFHVFGLSA-N	1	0	359.474	1.063	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCc1ccccc1	ZINC001110538110	974410904	/nfs/dbraw/zinc/41/09/04/974410904.db2.gz	ODDPMVPVTLEWLB-NCYKPQTJSA-N	1	0	370.493	1.945	20	30		FDEDRO
C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1C[N@@H+](C)CCN1C	ZINC000865706440	974431673	/nfs/dbraw/zinc/43/16/73/974431673.db2.gz	WHQWTWFWJHDYAI-UONOGXRCSA-N	1	0	374.913	1.384	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N(C)Cc1ccco1	ZINC001110539317	974441423	/nfs/dbraw/zinc/44/14/23/974441423.db2.gz	NWILHZVYOKSRIK-NXHRZFHOSA-N	1	0	357.454	1.619	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](OC(C)C)c2ccccc2)C1	ZINC001199663762	974448890	/nfs/dbraw/zinc/44/88/90/974448890.db2.gz	SQAUISZXLMIOIH-QRVBRYPASA-N	1	0	362.470	1.517	20	30		FDEDRO
N#Cc1cc(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)co1	ZINC000865813662	974514338	/nfs/dbraw/zinc/51/43/38/974514338.db2.gz	CCPOPXOXCGMDCI-UHFFFAOYSA-N	1	0	372.469	1.996	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccc2c(c1)CCO2	ZINC001110551036	974734044	/nfs/dbraw/zinc/73/40/44/974734044.db2.gz	MDKVNLBJJNMIHD-AQNXPRMDSA-N	1	0	368.477	1.925	20	30		FDEDRO
C=CCOCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)CCCO1	ZINC001200955126	974944651	/nfs/dbraw/zinc/94/46/51/974944651.db2.gz	HGQNCANTBJXZJI-GBESFXJTSA-N	1	0	366.502	1.459	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCCOC(C)C)C1	ZINC001201438856	975061402	/nfs/dbraw/zinc/06/14/02/975061402.db2.gz	PXEVQDLNPYCPCO-KURKYZTESA-N	1	0	354.491	1.600	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCOC(C)C)C1	ZINC001201599876	975085032	/nfs/dbraw/zinc/08/50/32/975085032.db2.gz	BLGDZGKFMMANCS-FHWLQOOXSA-N	1	0	368.518	1.990	20	30		FDEDRO
C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1	ZINC000867418176	975209191	/nfs/dbraw/zinc/20/91/91/975209191.db2.gz	SQQDRFGZSQAHRS-WBMJQRKESA-N	1	0	361.870	1.205	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(F)c1C)C2	ZINC001110579959	975288996	/nfs/dbraw/zinc/28/89/96/975288996.db2.gz	QQRBSXUPUWVFQB-JFTQMJAMSA-N	1	0	357.429	1.607	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2CCC)CC1	ZINC001202399183	975302526	/nfs/dbraw/zinc/30/25/26/975302526.db2.gz	SGCYAXYACFHUFU-IIAWOOMASA-N	1	0	364.490	1.404	20	30		FDEDRO
N#CC1(c2ccccc2)CCC([NH2+]C[C@]23COCCN2C(=O)COC3)CC1	ZINC000866553512	975780222	/nfs/dbraw/zinc/78/02/22/975780222.db2.gz	MZDMLDDIBLRUPL-DQVLVPHSSA-N	1	0	369.465	1.608	20	30		FDEDRO
C#C[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(N3CC[NH+](CC)CC3)c2)C1	ZINC000847561731	975828804	/nfs/dbraw/zinc/82/88/04/975828804.db2.gz	CFQGDRLVIHBKQY-QGZVFWFLSA-N	1	0	368.481	1.639	20	30		FDEDRO
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1	ZINC000866668604	975891290	/nfs/dbraw/zinc/89/12/90/975891290.db2.gz	SPAOQYBFBFNDJY-RTBURBONSA-N	1	0	357.454	1.863	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1	ZINC000847606699	975902207	/nfs/dbraw/zinc/90/22/07/975902207.db2.gz	UKWGHMVXOVJGNG-ZWKOTPCHSA-N	1	0	355.438	1.770	20	30		FDEDRO
COC(=O)[C@]12C[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C[C@H]1COCC2	ZINC000796521009	1014301297	/nfs/dbraw/zinc/30/12/97/1014301297.db2.gz	AIVLNYYMKHYIJU-SQGPQFPESA-N	1	0	374.437	1.004	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)OCC[C@H]2CC[N@@H+](C)C2)cc1	ZINC000847830181	976076408	/nfs/dbraw/zinc/07/64/08/976076408.db2.gz	OQJMPJOTUAZRRA-CQSZACIVSA-N	1	0	350.440	1.097	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@H]21	ZINC000866824959	976114383	/nfs/dbraw/zinc/11/43/83/976114383.db2.gz	OOZKUGZRXDOZFR-CHWSQXEVSA-N	1	0	370.272	1.836	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)[C@@H]2C1	ZINC000848120955	976343225	/nfs/dbraw/zinc/34/32/25/976343225.db2.gz	STYBCFWJDMOODL-DLBZAZTESA-N	1	0	361.486	1.799	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NCC1(c2ccccc2)CC[NH+](C)CC1	ZINC000867705858	976687346	/nfs/dbraw/zinc/68/73/46/976687346.db2.gz	NIWASTWHFSUEMB-INIZCTEOSA-N	1	0	364.515	1.576	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CC[NH2+]C2CC2)c1	ZINC000848398445	976717905	/nfs/dbraw/zinc/71/79/05/976717905.db2.gz	UMLHWWBCFROQPI-SILNSSARSA-N	1	0	364.471	1.580	20	30		FDEDRO
C[NH+]1CCN(C2CCN(S(=O)(=O)c3ccccc3CC#N)CC2)CC1	ZINC000867816452	976929311	/nfs/dbraw/zinc/92/93/11/976929311.db2.gz	BETKPSIYLXMVPG-UHFFFAOYSA-N	1	0	362.499	1.153	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC(N2CC[NH+](C)CC2)CC1	ZINC000867817848	976934138	/nfs/dbraw/zinc/93/41/38/976934138.db2.gz	UYMMSGHYNDSKQC-UHFFFAOYSA-N	1	0	362.499	1.267	20	30		FDEDRO
CN(C)C(=O)c1ccc(CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)cc1	ZINC000867953856	977135646	/nfs/dbraw/zinc/13/56/46/977135646.db2.gz	GURKVXZNDUHRJE-LJQANCHMSA-N	1	0	362.433	1.763	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCc1cnn(CC(F)(F)F)c1	ZINC000867957032	977140417	/nfs/dbraw/zinc/14/04/17/977140417.db2.gz	ZIPMYWQWEKOVFI-OAHLLOKOSA-N	1	0	363.343	1.820	20	30		FDEDRO
Cc1cccc(CN2CCO[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C2)c1	ZINC000867998677	977183403	/nfs/dbraw/zinc/18/34/03/977183403.db2.gz	YXUPXGACIAMHPO-OALUTQOASA-N	1	0	358.486	1.723	20	30		FDEDRO
N#CCc1ccc(NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1	ZINC000868098999	977284074	/nfs/dbraw/zinc/28/40/74/977284074.db2.gz	UQAZYYLWXIAZAD-XHSDSOJGSA-N	1	0	355.398	1.151	20	30		FDEDRO
C[NH+]=C(NCCCNC(=O)c1ccc(Br)cc1)NC1CC1	ZINC000849049577	977292518	/nfs/dbraw/zinc/29/25/18/977292518.db2.gz	HYSXBXILUCPQET-UHFFFAOYSA-N	1	0	353.264	1.896	20	30		FDEDRO
C[NH+]=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)NCc1ccco1	ZINC000849024125	977292682	/nfs/dbraw/zinc/29/26/82/977292682.db2.gz	IIBYKVVWOZBDHK-UHFFFAOYSA-N	1	0	361.446	1.589	20	30		FDEDRO
C=CCNC(=[NH2+])N[C@@H]1CCN([C@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O	ZINC000849089922	977309554	/nfs/dbraw/zinc/30/95/54/977309554.db2.gz	LBUBLCLCHGFTMA-CVEARBPZSA-N	1	0	372.469	1.970	20	30		FDEDRO
Cc1ccc(-n2nc(CCCNC3=[NH+]CCCN3C)c(C#N)c2N)cc1	ZINC000849111857	977322837	/nfs/dbraw/zinc/32/28/37/977322837.db2.gz	IXQFHFKIECWOPP-UHFFFAOYSA-N	1	0	351.458	1.848	20	30		FDEDRO
C[NH+]=C(NCCc1cccc(C(F)(F)F)n1)NCCN1CCOCC1	ZINC000849114185	977326252	/nfs/dbraw/zinc/32/62/52/977326252.db2.gz	WYHIXGYQEOOKJC-UHFFFAOYSA-N	1	0	359.396	1.140	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCC[N@@H+]3CCCC3(C)C)=[NH+]C[C@H]2C1	ZINC000849117182	977329674	/nfs/dbraw/zinc/32/96/74/977329674.db2.gz	VHSBZTCKABBYNF-HNNXBMFYSA-N	1	0	365.522	1.741	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCC[N@@H+]3CCCC3(C)C)=[NH+]C[C@@H]2C1	ZINC000849117183	977329862	/nfs/dbraw/zinc/32/98/62/977329862.db2.gz	VHSBZTCKABBYNF-OAHLLOKOSA-N	1	0	365.522	1.741	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1C#N	ZINC000868251511	977395588	/nfs/dbraw/zinc/39/55/88/977395588.db2.gz	RYJUNJATUWFXAF-GJZGRUSLSA-N	1	0	370.453	1.744	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1	ZINC000108606543	977604995	/nfs/dbraw/zinc/60/49/95/977604995.db2.gz	ORYYSZOBUNWUCZ-CVEARBPZSA-N	1	0	357.454	1.874	20	30		FDEDRO
Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)N(CCC#N)CC(F)(F)F)cn1	ZINC000849550949	977732294	/nfs/dbraw/zinc/73/22/94/977732294.db2.gz	AFTBTJCDVOQYQR-ZIAGYGMSSA-N	1	0	357.380	1.760	20	30		FDEDRO
C#C[C@H](NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1)[C@H]1CCCO1	ZINC000849574791	977777209	/nfs/dbraw/zinc/77/72/09/977777209.db2.gz	ADTPALNMTNSIBM-AKHDSKFASA-N	1	0	358.486	1.531	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000850506328	978406948	/nfs/dbraw/zinc/40/69/48/978406948.db2.gz	ISJYJUCBWHNFKS-ZDUSSCGKSA-N	1	0	362.405	1.656	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1OC)C1CCOCC1	ZINC000850687485	978610622	/nfs/dbraw/zinc/61/06/22/978610622.db2.gz	ZSWKKAIIPCZCEC-MRXNPFEDSA-N	1	0	373.453	1.240	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1)C1CCOCC1	ZINC000850689096	978613517	/nfs/dbraw/zinc/61/35/17/978613517.db2.gz	KNDGRDZJXAPRDE-SFHVURJKSA-N	1	0	357.454	1.540	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ccc(=O)n(C)c1=O)C2	ZINC001110625774	978707193	/nfs/dbraw/zinc/70/71/93/978707193.db2.gz	PIMMWYAVORIODS-ZACQAIPSSA-N	1	0	374.485	1.015	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCCCCC1=O)C2	ZINC001110629144	978822237	/nfs/dbraw/zinc/82/22/37/978822237.db2.gz	HBOYUGJHSMYEBV-KURKYZTESA-N	1	0	363.502	1.703	20	30		FDEDRO
C=CCN1C(=O)N[C@H](c2ccnn2-c2cc[nH+]cc2)C(C(=O)N(C)C)=C1C	ZINC000851713047	979010581	/nfs/dbraw/zinc/01/05/81/979010581.db2.gz	XNIOCVJKKUXEKJ-QGZVFWFLSA-N	1	0	366.425	1.882	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1	ZINC000968008850	1014556504	/nfs/dbraw/zinc/55/65/04/1014556504.db2.gz	IUJQSDQNYPYWCU-NXHRZFHOSA-N	1	0	363.502	1.511	20	30		FDEDRO
C#CCC1(O)CC[NH+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)CC1	ZINC000880482110	979223387	/nfs/dbraw/zinc/22/33/87/979223387.db2.gz	XVRLNWADKAPIFD-UHFFFAOYSA-N	1	0	371.481	1.702	20	30		FDEDRO
C#C[C@](C)(CC)[NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1	ZINC000852099689	979349638	/nfs/dbraw/zinc/34/96/38/979349638.db2.gz	CPKSQIQKRUJNJB-MRXNPFEDSA-N	1	0	371.890	1.920	20	30		FDEDRO
C#C[C@@](C)(CC)[NH2+][C@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC	ZINC000852102127	979351184	/nfs/dbraw/zinc/35/11/84/979351184.db2.gz	WANZXJAEYZERTB-BLVKFPJESA-N	1	0	360.410	1.978	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2ccc(OC)c(C#N)c2)CC1	ZINC000880877582	979507987	/nfs/dbraw/zinc/50/79/87/979507987.db2.gz	XZYLXFKOAMUVJR-HNNXBMFYSA-N	1	0	359.474	1.962	20	30		FDEDRO
C#CC1(F)CN(C(=O)c2nnn(-c3cccc4c3CC[N@@H+](C)C4)c2C)C1	ZINC000881944294	980310749	/nfs/dbraw/zinc/31/07/49/980310749.db2.gz	SQDJDICFXSPFKV-UHFFFAOYSA-N	1	0	353.401	1.361	20	30		FDEDRO
COC(=O)[C@@H]1CN(c2nccc(Oc3cccc(C#N)c3)n2)CC[N@H+](C)C1	ZINC000882451442	980649934	/nfs/dbraw/zinc/64/99/34/980649934.db2.gz	GEARRMCRANYVOL-HNNXBMFYSA-N	1	0	367.409	1.682	20	30		FDEDRO
C[NH+]1CCC2(CCN(c3ccc(C#N)cc3CS(N)(=O)=O)CC2)CC1	ZINC000882680696	980824918	/nfs/dbraw/zinc/82/49/18/980824918.db2.gz	DQADVZWEZWINDX-UHFFFAOYSA-N	1	0	362.499	1.659	20	30		FDEDRO
CCON(CC)C(=O)C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000858220247	981923464	/nfs/dbraw/zinc/92/34/64/981923464.db2.gz	QBNUHZUASQJKEM-UHFFFAOYSA-N	1	0	356.430	1.748	20	30		FDEDRO
C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)Nc2ccc(Br)c(C#N)n2)C1	ZINC000883109800	981953171	/nfs/dbraw/zinc/95/31/71/981953171.db2.gz	DXVKNXKEEVMQLL-CABZTGNLSA-N	1	0	350.220	1.884	20	30		FDEDRO
C=CCC[C@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)[C@H]1CCCO1	ZINC000883205217	982013454	/nfs/dbraw/zinc/01/34/54/982013454.db2.gz	RKKXONKTMZAJQM-FGTMMUONSA-N	1	0	351.491	1.023	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[C@H]1CCOC1	ZINC000883213886	982017714	/nfs/dbraw/zinc/01/77/14/982017714.db2.gz	SFYXOZAVDZZHKV-ARFHVFGLSA-N	1	0	367.490	1.540	20	30		FDEDRO
C=C(C)C[C@@H](CO)NC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000883313484	982066679	/nfs/dbraw/zinc/06/66/79/982066679.db2.gz	FKAAFWIOGVANCX-RBUKOAKNSA-N	1	0	360.502	1.601	20	30		FDEDRO
Cn1ccn2c(C[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)nnc2c1=O	ZINC000883331870	982073844	/nfs/dbraw/zinc/07/38/44/982073844.db2.gz	IOVIUTSJWCQIOM-UHFFFAOYSA-N	1	0	363.425	1.058	20	30		FDEDRO
C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000883390231	982108524	/nfs/dbraw/zinc/10/85/24/982108524.db2.gz	IIGSKXZERRPVJF-RDJZCZTQSA-N	1	0	368.499	1.685	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[NH2+]CCC23CCC3)c1	ZINC000883478298	982196516	/nfs/dbraw/zinc/19/65/16/982196516.db2.gz	BOSOYSWWUFHDJP-UHFFFAOYSA-N	1	0	363.483	1.509	20	30		FDEDRO
C#C[C@@H](NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccccc1	ZINC000883704458	982398315	/nfs/dbraw/zinc/39/83/15/982398315.db2.gz	LHZJIVKDCHFGPR-WOJBJXKFSA-N	1	0	370.497	1.457	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	ZINC000859031456	982468578	/nfs/dbraw/zinc/46/85/78/982468578.db2.gz	JCMDLYXEFMCDNK-QGZVFWFLSA-N	1	0	351.491	1.607	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)C(=O)NC(CC)CC)CC1	ZINC001202559918	982560088	/nfs/dbraw/zinc/56/00/88/982560088.db2.gz	UHQTWOABHIKUEC-OLMNPRSZSA-N	1	0	365.518	1.851	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(OC)nc(OC)c1)C2	ZINC001110768526	982595065	/nfs/dbraw/zinc/59/50/65/982595065.db2.gz	FQWHWWUABONGSD-OAGGEKHMSA-N	1	0	361.442	1.637	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2CC)CC1	ZINC001202575827	982621417	/nfs/dbraw/zinc/62/14/17/982621417.db2.gz	YROUVBOCKYKRDH-GZBFAFLISA-N	1	0	350.463	1.013	20	30		FDEDRO
N#CC1(C[C@H](O)CN(CCO)Cc2cccnc2Cl)CCOCC1	ZINC000859289787	982686390	/nfs/dbraw/zinc/68/63/90/982686390.db2.gz	PMQOHAXLQRAIRG-HNNXBMFYSA-N	1	0	353.850	1.601	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc(C3CC3)c1)C2	ZINC001110771062	982717800	/nfs/dbraw/zinc/71/78/00/982717800.db2.gz	IWMHDZVMYJVERG-NXHRZFHOSA-N	1	0	354.454	1.596	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCC(C(=O)c3ccc(O)cc3)CC1)C2	ZINC000884064485	982803305	/nfs/dbraw/zinc/80/33/05/982803305.db2.gz	JLAZBGHZGHAWDU-BATSVXPKSA-N	1	0	367.449	1.953	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1cccc(C(=O)N3CCOCC3)c1)C2	ZINC000884072868	982820113	/nfs/dbraw/zinc/82/01/13/982820113.db2.gz	QXWFUIPQCOSQLB-NGEICVOHSA-N	1	0	368.437	1.237	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N1CCN(C(=O)CCC2CCCC2)CC1	ZINC000884074900	982824544	/nfs/dbraw/zinc/82/45/44/982824544.db2.gz	FXOVSYRHWVCBOT-INIZCTEOSA-N	1	0	365.474	1.074	20	30		FDEDRO
Cc1cccc(C)c1OC[C@H](O)CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884104529	982871704	/nfs/dbraw/zinc/87/17/04/982871704.db2.gz	OLZQFWKGYPPWOP-MUZJZNNISA-N	1	0	357.454	1.299	20	30		FDEDRO
Cc1cccc(C)c1OC[C@H](O)CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884104531	982872255	/nfs/dbraw/zinc/87/22/55/982872255.db2.gz	OLZQFWKGYPPWOP-ZEVUXNIQSA-N	1	0	357.454	1.299	20	30		FDEDRO
CCCCNC(=O)C1(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CCCCC1	ZINC000884118366	982898548	/nfs/dbraw/zinc/89/85/48/982898548.db2.gz	DFXDKEFXEWXYDQ-WUJZJPHMSA-N	1	0	360.502	1.861	20	30		FDEDRO
COc1ccc(COCCCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc1	ZINC000884122696	982905844	/nfs/dbraw/zinc/90/58/44/982905844.db2.gz	XJKHCORPDXEDTJ-GNZRSQJKSA-N	1	0	357.454	1.857	20	30		FDEDRO
COc1ccc(C[C@@H](C)NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc1OC	ZINC000884128033	982909333	/nfs/dbraw/zinc/90/93/33/982909333.db2.gz	SAZWOWIDOIGSTH-MGIDEDSVSA-N	1	0	357.454	1.890	20	30		FDEDRO
C=CCN1c2ccccc2C(=NNC(=S)NC[C@H]2CCC[N@H+]2CC)C1=O	ZINC000884136718	982919613	/nfs/dbraw/zinc/91/96/13/982919613.db2.gz	SXQNOCYEMTWAFX-CQSZACIVSA-N	1	0	371.510	1.872	20	30		FDEDRO
COc1ccccc1N1CC[C@@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1=O	ZINC000884165556	982941624	/nfs/dbraw/zinc/94/16/24/982941624.db2.gz	JSWJKJLMQVYECV-YCTJDYOESA-N	1	0	368.437	1.056	20	30		FDEDRO
C[C@@H]([NH3+])CN(C)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1	ZINC000859635813	982952287	/nfs/dbraw/zinc/95/22/87/982952287.db2.gz	YBTGTQHWUWRCLF-WGBIJJAVSA-N	1	0	367.475	1.310	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccccc1CN1CCOCC1)C2	ZINC000884180239	982953446	/nfs/dbraw/zinc/95/34/46/982953446.db2.gz	QTZVXGAMQMUPSA-SCCNAQOGSA-N	1	0	368.481	1.274	20	30		FDEDRO
CCN1C[C@@H](CN(C)C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)Oc2ccccc21	ZINC000884181604	982957093	/nfs/dbraw/zinc/95/70/93/982957093.db2.gz	KIJBJCNTFOXBFH-JWRWLIQVSA-N	1	0	368.481	1.872	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCN(c3ccc(Cl)cn3)CC1)C2	ZINC000884187684	982963498	/nfs/dbraw/zinc/96/34/98/982963498.db2.gz	MEMYUWFXIQVSPY-FVRSWCFKSA-N	1	0	359.861	1.523	20	30		FDEDRO
C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C[C@@H](C)O1	ZINC000884201663	982977150	/nfs/dbraw/zinc/97/71/50/982977150.db2.gz	DSGVGMMOWXRZCQ-FCRHOULQSA-N	1	0	360.502	1.226	20	30		FDEDRO
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC(C)([NH+]2CCOCC2)CC1	ZINC000859776475	983016131	/nfs/dbraw/zinc/01/61/31/983016131.db2.gz	VUPUDGCDKPCBPH-GOSISDBHSA-N	1	0	357.454	1.959	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@@H+](CCOCC)[C@H]2CCc3ccccc32)CC1	ZINC000859830454	983037918	/nfs/dbraw/zinc/03/79/18/983037918.db2.gz	WEUNGRWWCWHCQG-NRFANRHFSA-N	1	0	369.509	1.790	20	30		FDEDRO
COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884307111	983071749	/nfs/dbraw/zinc/07/17/49/983071749.db2.gz	YRQBMDZTNQBMFZ-XTIMDLJNSA-N	1	0	369.465	1.964	20	30		FDEDRO
COc1ccc(N2CC[C@@H](NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)C2)cc1	ZINC000884398000	983137246	/nfs/dbraw/zinc/13/72/46/983137246.db2.gz	SXRBHKKFGGHQHL-KMFGOTIKSA-N	1	0	354.454	1.529	20	30		FDEDRO
N#Cc1sccc1N1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1	ZINC000884399741	983138184	/nfs/dbraw/zinc/13/81/84/983138184.db2.gz	MQFLQXIZDJDMEI-TXKKKEFDSA-N	1	0	355.467	1.408	20	30		FDEDRO
N#Cc1sccc1N1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1	ZINC000884399740	983138394	/nfs/dbraw/zinc/13/83/94/983138394.db2.gz	MQFLQXIZDJDMEI-FVRSWCFKSA-N	1	0	355.467	1.408	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NCc1sc(C)cc1Br	ZINC000884407901	983142001	/nfs/dbraw/zinc/14/20/01/983142001.db2.gz	QUUULAIZWIIXRD-JTQLQIEISA-N	1	0	361.261	1.882	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCN(c3ccc(F)cc3)C1=O)C2	ZINC000884435980	983153837	/nfs/dbraw/zinc/15/38/37/983153837.db2.gz	PQOHLBGPMQEWTH-HCZHPHPMSA-N	1	0	356.401	1.187	20	30		FDEDRO
N#CCCN1CCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1	ZINC000884470922	983174200	/nfs/dbraw/zinc/17/42/00/983174200.db2.gz	GCMNBMXPUXHJJX-AWEZNQCLSA-N	1	0	351.248	1.507	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)c1cccc(C#N)c1	ZINC000884617511	983279499	/nfs/dbraw/zinc/27/94/99/983279499.db2.gz	NICWRBOXNDGQLV-YWZLYKJASA-N	1	0	354.454	1.728	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2	ZINC000860426110	983390647	/nfs/dbraw/zinc/39/06/47/983390647.db2.gz	TYMFIJMEDINLQI-AEFFLSMTSA-N	1	0	354.450	1.970	20	30		FDEDRO
CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)CCc2c(C)nn(CCC#N)c2C)C1	ZINC000861339647	983691239	/nfs/dbraw/zinc/69/12/39/983691239.db2.gz	CLALFJMTWFZZPO-LPHOPBHVSA-N	1	0	362.474	1.999	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)nc1	ZINC000861556187	983777879	/nfs/dbraw/zinc/77/78/79/983777879.db2.gz	FNNHRBVGFMHQFG-OLZOCXBDSA-N	1	0	370.379	1.534	20	30		FDEDRO
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1	ZINC000861708867	983845734	/nfs/dbraw/zinc/84/57/34/983845734.db2.gz	CEMJAGUJHOEQIY-HUUCEWRRSA-N	1	0	354.410	1.532	20	30		FDEDRO
CSc1nc(C2CC2)cc(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)c1C#N	ZINC000861711053	983849866	/nfs/dbraw/zinc/84/98/66/983849866.db2.gz	SANDDPGNHVPFFD-UONOGXRCSA-N	1	0	372.494	1.834	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c(F)cc1C#N	ZINC000861774430	983913448	/nfs/dbraw/zinc/91/34/48/983913448.db2.gz	YUVGWQZQPVIFSS-OLZOCXBDSA-N	1	0	362.405	1.633	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@@H](F)[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000861838123	983949542	/nfs/dbraw/zinc/94/95/42/983949542.db2.gz	RKGMRUTXTJNBHL-GJZGRUSLSA-N	1	0	355.454	1.653	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C	ZINC000862193101	984228152	/nfs/dbraw/zinc/22/81/52/984228152.db2.gz	UHWCXLCUWGWVRV-WMLDXEAASA-N	1	0	373.453	1.555	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C	ZINC000862199439	984239629	/nfs/dbraw/zinc/23/96/29/984239629.db2.gz	JWOJDJLYFJQWJZ-OAHLLOKOSA-N	1	0	361.442	1.028	20	30		FDEDRO
N#CCCc1ccc(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)cc1	ZINC000885024335	985103190	/nfs/dbraw/zinc/10/31/90/985103190.db2.gz	ZAVMWOQBBYWTQE-UHFFFAOYSA-N	1	0	351.472	1.268	20	30		FDEDRO
C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(CCC#N)cc2)[C@@H](C)C1	ZINC000885119594	985188066	/nfs/dbraw/zinc/18/80/66/985188066.db2.gz	GIWTYDBWWJJFEY-LSDHHAIUSA-N	1	0	351.472	1.218	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H](CC)OC[C@H]2CC)CC1	ZINC000653393110	1015119204	/nfs/dbraw/zinc/11/92/04/1015119204.db2.gz	SKGNSIHABUEOSS-SJORKVTESA-N	1	0	351.491	1.559	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)cnc1C(F)(F)F	ZINC000885885748	985751090	/nfs/dbraw/zinc/75/10/90/985751090.db2.gz	KPURFPHPFJIREL-CQSZACIVSA-N	1	0	368.359	1.955	20	30		FDEDRO
CNC(=O)c1cc(O[C@@H]2CCC[N@H+](C[C@H](O)CC3(C#N)CCC3)C2)ccn1	ZINC000886267113	986014857	/nfs/dbraw/zinc/01/48/57/986014857.db2.gz	GEIYRHAYSRNXHJ-NVXWUHKLSA-N	1	0	372.469	1.729	20	30		FDEDRO
C=CCOc1ccc(C[NH2+]CCc2nnc3c(=O)n(C)ccn23)cc1Cl	ZINC000886284439	986022562	/nfs/dbraw/zinc/02/25/62/986022562.db2.gz	XERYJZKJQQUZRK-UHFFFAOYSA-N	1	0	373.844	1.979	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1)C1CC[NH+](C)CC1	ZINC000886581454	986384074	/nfs/dbraw/zinc/38/40/74/986384074.db2.gz	XXGVHTZDZDKPHY-QGZVFWFLSA-N	1	0	374.529	1.907	20	30		FDEDRO
C#CCN(C(=O)c1ccc(F)c(NS(C)(=O)=O)c1)C1CC[NH+](C)CC1	ZINC000886582204	986385237	/nfs/dbraw/zinc/38/52/37/986385237.db2.gz	JWIQZLLVTBGVBZ-UHFFFAOYSA-N	1	0	367.446	1.367	20	30		FDEDRO
C#CCN(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)C1CC[NH+](C)CC1	ZINC000886585209	986389481	/nfs/dbraw/zinc/38/94/81/986389481.db2.gz	MOGNLJXNLHPPQL-UHFFFAOYSA-N	1	0	372.860	1.550	20	30		FDEDRO
C#CCN1CCC[C@H]([NH2+][C@H](C)CC(=O)N2CCC(C(=O)OCC)CC2)C1	ZINC000886663333	986466985	/nfs/dbraw/zinc/46/69/85/986466985.db2.gz	YJPKFUSBUYHAFL-AEFFLSMTSA-N	1	0	363.502	1.254	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CCN(C(=O)[C@H]([NH3+])Cc2ccccc2)CC1	ZINC000870981702	986558983	/nfs/dbraw/zinc/55/89/83/986558983.db2.gz	PYONIIYLGJRSHL-GOSISDBHSA-N	1	0	352.413	1.916	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@H]([C@@H]4CCCO4)C3)CC2)o1	ZINC000886824977	986615461	/nfs/dbraw/zinc/61/54/61/986615461.db2.gz	KFIVZMZXBPUIQI-RDJZCZTQSA-N	1	0	373.457	1.004	20	30		FDEDRO
COCCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)[C@@H]1CCC[C@H]1C#N	ZINC000871085258	986657949	/nfs/dbraw/zinc/65/79/49/986657949.db2.gz	SBAPJKOOJCIDIU-HZMVEIRTSA-N	1	0	374.489	1.589	20	30		FDEDRO
C#CCOCC[N@@H+]1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1	ZINC000886883844	986687368	/nfs/dbraw/zinc/68/73/68/986687368.db2.gz	OCJKCPLOSUHBBJ-HVEKOLDVSA-N	1	0	351.443	1.479	20	30		FDEDRO
CC[NH+]1CCN(CC(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)CC1	ZINC000871183098	986770707	/nfs/dbraw/zinc/77/07/07/986770707.db2.gz	SNIQQNZBOXXHFG-UHFFFAOYSA-N	1	0	352.442	1.379	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1	ZINC000871812641	987263833	/nfs/dbraw/zinc/26/38/33/987263833.db2.gz	IYWBKBVFRRVODJ-BXKDBHETSA-N	1	0	351.325	1.455	20	30		FDEDRO
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCN(c2cc[nH+]cc2OC)CC1	ZINC000796574106	1015324572	/nfs/dbraw/zinc/32/45/72/1015324572.db2.gz	CIMLMZDNKJPXCX-LJQANCHMSA-N	1	0	366.421	1.998	20	30		FDEDRO
C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccn(CCC#N)n2)C1	ZINC000365643573	987945269	/nfs/dbraw/zinc/94/52/69/987945269.db2.gz	RYOGKMQIPXRGON-QGZVFWFLSA-N	1	0	352.442	2.535	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CCOCC1	ZINC000292963694	987946942	/nfs/dbraw/zinc/94/69/42/987946942.db2.gz	KQVGVEIETXSCBN-MRXNPFEDSA-N	1	0	373.457	1.227	20	30		FDEDRO
COc1cc(/C=C/C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1OCC#N	ZINC000360108259	987948594	/nfs/dbraw/zinc/94/85/94/987948594.db2.gz	SKJBXVKOQTXANV-SLLSNFPASA-N	1	0	371.437	1.590	20	30		FDEDRO
C#C[C@H]1CC[C@H](NS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)CC1	ZINC000872670766	987949623	/nfs/dbraw/zinc/94/96/23/987949623.db2.gz	KWNMAMBYFXSMOF-WKILWMFISA-N	1	0	352.504	1.532	20	30		FDEDRO
CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(OCC#N)c1)[NH+]1CCCC1	ZINC000298958981	987982558	/nfs/dbraw/zinc/98/25/58/987982558.db2.gz	JTXLBEHWVKGPIW-KRWDZBQOSA-N	1	0	358.442	1.764	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(CN3CC(=O)N(Cc4ccccc4C#N)C3=O)CC[C@H]21	ZINC000872726857	988013060	/nfs/dbraw/zinc/01/30/60/988013060.db2.gz	WUQLHJVTENLANM-QZTJIDSGSA-N	1	0	367.453	1.306	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@H](C(=O)NCC)C(C)C)c(OC)c1	ZINC000293306239	988026084	/nfs/dbraw/zinc/02/60/84/988026084.db2.gz	PWXDMDCQIUWPMX-APWZRJJASA-N	1	0	364.486	1.914	20	30		FDEDRO
N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@H+]2CCC[C@H](O)CC2)CC1	ZINC000293309701	988028991	/nfs/dbraw/zinc/02/89/91/988028991.db2.gz	WZGZDRAIHZRYSX-OALUTQOASA-N	1	0	374.460	1.381	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2	ZINC000293321506	988034383	/nfs/dbraw/zinc/03/43/83/988034383.db2.gz	JYOWDTMPCFFSCO-YWZLYKJASA-N	1	0	370.453	1.860	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(N(C)C(C)C)c(F)c1	ZINC000293357821	988047561	/nfs/dbraw/zinc/04/75/61/988047561.db2.gz	LHHUYSNXCQRDMA-UHFFFAOYSA-N	1	0	362.449	1.680	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1	ZINC000293357890	988047940	/nfs/dbraw/zinc/04/79/40/988047940.db2.gz	LHZQJYIAUBJNIF-UHFFFAOYSA-N	1	0	372.469	1.225	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc([C@@H]3CCOC3)cc2)CC1	ZINC000293399984	988063763	/nfs/dbraw/zinc/06/37/63/988063763.db2.gz	MJLSGOYZGQFDOS-MRXNPFEDSA-N	1	0	357.454	1.896	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc([C@H]3CCOC3)cc2)CC1	ZINC000293399977	988063945	/nfs/dbraw/zinc/06/39/45/988063945.db2.gz	MJLSGOYZGQFDOS-INIZCTEOSA-N	1	0	357.454	1.896	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(OC2CCCC2)nc1	ZINC000293483573	988088635	/nfs/dbraw/zinc/08/86/35/988088635.db2.gz	VVXUVGMZMQINJZ-UHFFFAOYSA-N	1	0	358.442	1.413	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cnn(-c2ccccc2F)c1	ZINC000293514767	988096798	/nfs/dbraw/zinc/09/67/98/988096798.db2.gz	YKDZBDKQZREALD-UHFFFAOYSA-N	1	0	357.389	1.021	20	30		FDEDRO
COc1ccc([C@@H](C[NH+](C)C)NC(=O)C(=O)Nc2ccc(C#N)cn2)cc1	ZINC000293800257	988219261	/nfs/dbraw/zinc/21/92/61/988219261.db2.gz	UXTPUGHNCPEEKI-MRXNPFEDSA-N	1	0	367.409	1.319	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]3CS(=O)(=O)C[C@H]3C2)CC1	ZINC000872881271	988229013	/nfs/dbraw/zinc/22/90/13/988229013.db2.gz	NONWTSGFFDXDNA-LSDHHAIUSA-N	1	0	355.504	1.103	20	30		FDEDRO
C[C@@H](NC(=O)N1CCN(c2ccc(C#N)nc2)CC1)C1=CC[N@H+](C)CC1	ZINC000872966439	988348771	/nfs/dbraw/zinc/34/87/71/988348771.db2.gz	OFYVZJKXRMOBEG-OAHLLOKOSA-N	1	0	354.458	1.435	20	30		FDEDRO
C[C@@H](O)CNc1cc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ncn1	ZINC000294485402	988429639	/nfs/dbraw/zinc/42/96/39/988429639.db2.gz	RXDZTUVXPNVFCJ-MRXNPFEDSA-N	1	0	366.469	1.853	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1	ZINC000873104475	988557894	/nfs/dbraw/zinc/55/78/94/988557894.db2.gz	NCZZBYYKUBTMMX-RYUDHWBXSA-N	1	0	354.332	1.401	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1	ZINC000873106591	988565400	/nfs/dbraw/zinc/56/54/00/988565400.db2.gz	BJQIQIBSIJUOLR-BIENJYKASA-N	1	0	372.494	1.945	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)Cn2cnc3c2C[C@@H](C)[C@H](C)C3)CC1	ZINC000295089437	988604966	/nfs/dbraw/zinc/60/49/66/988604966.db2.gz	FFIRRLBPGLWKRU-MDZRGWNJSA-N	1	0	357.502	1.946	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)c1	ZINC000366308910	988611087	/nfs/dbraw/zinc/61/10/87/988611087.db2.gz	JCPOXOZBKUTDDB-IRXDYDNUSA-N	1	0	368.437	1.145	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC2(C[C@H]2C(=O)N2CCCC2)CC1	ZINC000362341275	988637878	/nfs/dbraw/zinc/63/78/78/988637878.db2.gz	NBTKGTCNDYBZEV-IRXDYDNUSA-N	1	0	360.502	1.719	20	30		FDEDRO
C#CC[C@H](NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1	ZINC000366761936	988769316	/nfs/dbraw/zinc/76/93/16/988769316.db2.gz	LYIWACRELOIRJH-PMACEKPBSA-N	1	0	370.497	1.457	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)cc1C#N	ZINC000873653764	988939612	/nfs/dbraw/zinc/93/96/12/988939612.db2.gz	FGOCCJHLSVZALJ-UHFFFAOYSA-N	1	0	358.442	1.886	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccco2)C1	ZINC000367213227	988940766	/nfs/dbraw/zinc/94/07/66/988940766.db2.gz	MSWGMAMFMSOEPE-HZPDHXFCSA-N	1	0	360.458	1.730	20	30		FDEDRO
Cc1n[nH]cc1C1CC[NH+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1	ZINC000367460076	988952130	/nfs/dbraw/zinc/95/21/30/988952130.db2.gz	YDUXBNTVXUGTCH-IBGZPJMESA-N	1	0	372.517	1.590	20	30		FDEDRO
N#CCNC(=O)CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2	ZINC000367582134	988957019	/nfs/dbraw/zinc/95/70/19/988957019.db2.gz	ZXNZAYWVWGSDFO-FQEVSTJZSA-N	1	0	369.469	1.324	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCOC[C@H]2c2c(C)nn(C)c2C)CC1	ZINC000368583643	988999171	/nfs/dbraw/zinc/99/91/71/988999171.db2.gz	PHAKBBAYMXLGSK-KRWDZBQOSA-N	1	0	361.490	1.770	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N1CCN(C)[C@@H](C#N)C1	ZINC000368816355	989010697	/nfs/dbraw/zinc/01/06/97/989010697.db2.gz	JYDJCMWRPPZDEM-NJAFHUGGSA-N	1	0	356.474	1.141	20	30		FDEDRO
CN(CC(=O)NC1(C#N)CCCCC1)C1CC[NH+](C2CCOCC2)CC1	ZINC000368851929	989012167	/nfs/dbraw/zinc/01/21/67/989012167.db2.gz	SVDUAWJFCQRRRZ-UHFFFAOYSA-N	1	0	362.518	1.904	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCCCC2)C1	ZINC000369384489	989049681	/nfs/dbraw/zinc/04/96/81/989049681.db2.gz	DFXHQJOQEPLDGK-KRWDZBQOSA-N	1	0	359.474	1.367	20	30		FDEDRO
CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC)c(C#N)c2)CC1	ZINC000873726101	989070669	/nfs/dbraw/zinc/07/06/69/989070669.db2.gz	BLEDFLFFYJLXTR-UHFFFAOYSA-N	1	0	358.442	1.886	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1	ZINC000363326834	989095070	/nfs/dbraw/zinc/09/50/70/989095070.db2.gz	DPGDXTGZRUQXAB-AWEZNQCLSA-N	1	0	359.430	1.052	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c1C#N	ZINC000369802408	989193281	/nfs/dbraw/zinc/19/32/81/989193281.db2.gz	CLTGQNQXWIFXJO-ZVZYQTTQSA-N	1	0	352.438	1.748	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1	ZINC000296522510	989259574	/nfs/dbraw/zinc/25/95/74/989259574.db2.gz	PAAWSVUHEQUERU-GOSISDBHSA-N	1	0	356.470	1.289	20	30		FDEDRO
Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21	ZINC000873832239	989277287	/nfs/dbraw/zinc/27/72/87/989277287.db2.gz	JOHMULSWEXWUCQ-CXAGYDPISA-N	1	0	358.417	1.887	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1	ZINC000296582832	989303183	/nfs/dbraw/zinc/30/31/83/989303183.db2.gz	WIIYMRMMMIUYCA-KRWDZBQOSA-N	1	0	358.486	1.381	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccccc2)CC1	ZINC000363574417	989315393	/nfs/dbraw/zinc/31/53/93/989315393.db2.gz	FIEGZMBMBRZRTL-ICSRJNTNSA-N	1	0	353.466	1.810	20	30		FDEDRO
CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1	ZINC000364074881	989489161	/nfs/dbraw/zinc/48/91/61/989489161.db2.gz	ULYZICYAUKHTCR-MOPGFXCFSA-N	1	0	354.454	1.650	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c(OC)c1	ZINC000370223930	989562301	/nfs/dbraw/zinc/56/23/01/989562301.db2.gz	WSQRBKMZDMEVCS-PFRQMTDMSA-N	1	0	374.481	1.749	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)N2CCC([N@H+](C)CCCO)CC2)cc1	ZINC000297579764	989571280	/nfs/dbraw/zinc/57/12/80/989571280.db2.gz	QZXFNEXHFJUIIC-UHFFFAOYSA-N	1	0	359.470	1.687	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC(N3C(=O)CCCC3=O)CC2)CC1	ZINC000364514438	989607790	/nfs/dbraw/zinc/60/77/90/989607790.db2.gz	DCKRLLQUEVZKKS-UHFFFAOYSA-N	1	0	362.474	1.350	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(c2nnc3cc(C)ccn32)CC1	ZINC000364599523	989671199	/nfs/dbraw/zinc/67/11/99/989671199.db2.gz	MAEIXOODCTUYSA-CQSZACIVSA-N	1	0	370.457	1.617	20	30		FDEDRO
C=CCN1CC[C@@H]([NH+]2CCC(n3cnc(C(=O)OCC)c3N)CC2)C1=O	ZINC000297754481	989675540	/nfs/dbraw/zinc/67/55/40/989675540.db2.gz	ULVFOBZNWUAKNP-CQSZACIVSA-N	1	0	361.446	1.066	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC2CCC(C)([NH+](C)C)CC2)cc1C#N	ZINC000874121938	989770484	/nfs/dbraw/zinc/77/04/84/989770484.db2.gz	ONRXGUQQYDZOIB-UHFFFAOYSA-N	1	0	358.442	1.884	20	30		FDEDRO
CN(C[C@@H]1CCCO1)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000297986652	989817743	/nfs/dbraw/zinc/81/77/43/989817743.db2.gz	UXTMMUAWTCKXPB-SFHVURJKSA-N	1	0	372.469	1.086	20	30		FDEDRO
C[C@@H]1CN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C)[NH+]1CCO	ZINC000364839934	989834652	/nfs/dbraw/zinc/83/46/52/989834652.db2.gz	OCYCDSJVPKGMOH-MDZRGWNJSA-N	1	0	356.470	1.441	20	30		FDEDRO
C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1	ZINC000364852795	989842626	/nfs/dbraw/zinc/84/26/26/989842626.db2.gz	IOGLEWQIJLHPSU-ZDUSSCGKSA-N	1	0	359.430	1.111	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1	ZINC000874171176	989863540	/nfs/dbraw/zinc/86/35/40/989863540.db2.gz	RAVOXWAHQZKYKP-NVXWUHKLSA-N	1	0	370.453	1.837	20	30		FDEDRO
Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N(CCC#N)CCC[NH+](C)C)C2=O	ZINC000298145833	989922037	/nfs/dbraw/zinc/92/20/37/989922037.db2.gz	OTPYLJISOMXUAK-HNNXBMFYSA-N	1	0	370.453	1.674	20	30		FDEDRO
C[C@H]1CN(Cc2cnc3ccc(C#N)cn23)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000370705751	989941258	/nfs/dbraw/zinc/94/12/58/989941258.db2.gz	IVCBBPGXHYNJNK-QFBILLFUSA-N	1	0	352.486	1.664	20	30		FDEDRO
CCC[NH+]1CCC(N(C)C(=O)C(=O)N(C)Cc2ccc(C#N)cc2)CC1	ZINC000298273736	990005197	/nfs/dbraw/zinc/00/51/97/990005197.db2.gz	HCPMOXUJCPHOII-UHFFFAOYSA-N	1	0	356.470	1.849	20	30		FDEDRO
CN(C(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1)C1CC[NH+](C)CC1	ZINC000365123416	990044559	/nfs/dbraw/zinc/04/45/59/990044559.db2.gz	HERGTJQRBMPHQS-SFHVURJKSA-N	1	0	354.454	1.602	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C	ZINC000874363936	990173255	/nfs/dbraw/zinc/17/32/55/990173255.db2.gz	BNWJQFZWPNQOKB-HOTGVXAUSA-N	1	0	359.401	1.471	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1	ZINC000371093458	990243447	/nfs/dbraw/zinc/24/34/47/990243447.db2.gz	KRMFLKLUHNMMIO-OXJNMPFZSA-N	1	0	369.469	1.847	20	30		FDEDRO
CC[N@H+](CCNC(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O)C1CC1	ZINC000371102250	990250858	/nfs/dbraw/zinc/25/08/58/990250858.db2.gz	VXBVDKHNFSGVCH-VBKZILBWSA-N	1	0	367.453	1.526	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)CC[NH+](C)C)s1	ZINC000874470459	990313318	/nfs/dbraw/zinc/31/33/18/990313318.db2.gz	JZBFRGQTTDNNTC-LBPRGKRZSA-N	1	0	359.517	1.211	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@H]4[C@@H]3CCC[N@H+]4C)CC2)o1	ZINC000874829352	990554164	/nfs/dbraw/zinc/55/41/64/990554164.db2.gz	KJOJXKLNIGBAEQ-IRXDYDNUSA-N	1	0	357.458	1.766	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)C(=O)NC1(C#N)CCCCC1	ZINC000371613385	990569611	/nfs/dbraw/zinc/56/96/11/990569611.db2.gz	FDLOFZXEQNGYCE-HZPDHXFCSA-N	1	0	356.474	1.766	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)n1cnc(C#N)n1	ZINC000409584408	990632517	/nfs/dbraw/zinc/63/25/17/990632517.db2.gz	KJNHOINOCRUPBQ-LBPRGKRZSA-N	1	0	355.402	1.240	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)NCc1ccccc1C[N@H+](C)C(C)C	ZINC000875041527	990779405	/nfs/dbraw/zinc/77/94/05/990779405.db2.gz	TXPYQBJXFQEGBL-SFHVURJKSA-N	1	0	359.470	1.298	20	30		FDEDRO
Cn1cccc1C(=O)NC1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1	ZINC000372012846	990893556	/nfs/dbraw/zinc/89/35/56/990893556.db2.gz	YVVJUZBMUHVPAH-LJQANCHMSA-N	1	0	352.438	1.825	20	30		FDEDRO
C#CCOc1ccc(C[N@H+]2CCC[C@H](n3cc(C(=O)OC)nn3)C2)cc1	ZINC000372029492	990900231	/nfs/dbraw/zinc/90/02/31/990900231.db2.gz	CIJLHMIJWDGMHN-INIZCTEOSA-N	1	0	354.410	1.914	20	30		FDEDRO
C=CCCCCNC(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1	ZINC000372159641	990941590	/nfs/dbraw/zinc/94/15/90/990941590.db2.gz	DCNAOIJTKVQDNK-UHFFFAOYSA-N	1	0	360.458	1.966	20	30		FDEDRO
N#Cc1ccccc1OCCN1CCN(CC[N@@H+]2CCCOCC2)CC1	ZINC000372271784	990990313	/nfs/dbraw/zinc/99/03/13/990990313.db2.gz	DHGRLIACKAUFAJ-UHFFFAOYSA-N	1	0	358.486	1.277	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1	ZINC000875176374	991010864	/nfs/dbraw/zinc/01/08/64/991010864.db2.gz	ZVKOFJBVIQBVLS-BHIYHBOVSA-N	1	0	371.481	1.310	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2cccc3ncccc23)CC1	ZINC000875182804	991022495	/nfs/dbraw/zinc/02/24/95/991022495.db2.gz	YZALEKJMBJJDIX-UHFFFAOYSA-N	1	0	352.438	1.618	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1	ZINC000372362093	991040699	/nfs/dbraw/zinc/04/06/99/991040699.db2.gz	VKKHBTYDBGDHPK-APWZRJJASA-N	1	0	368.481	1.091	20	30		FDEDRO
CN(C(=O)C(=O)Nc1cccc(C#N)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000372602223	991258149	/nfs/dbraw/zinc/25/81/49/991258149.db2.gz	WDHVYRRNPLJWKC-GOSISDBHSA-N	1	0	369.469	1.124	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)c1	ZINC000372652331	991300806	/nfs/dbraw/zinc/30/08/06/991300806.db2.gz	IRBLGSHGJFELKX-QZTJIDSGSA-N	1	0	355.438	1.054	20	30		FDEDRO
N#CCCCOc1cccnc1NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000372721903	991399179	/nfs/dbraw/zinc/39/91/79/991399179.db2.gz	FDZWCDJFZYTGGI-GJZGRUSLSA-N	1	0	359.430	1.749	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCC1CC[NH+](C(C)C)CC1	ZINC000875386997	991444531	/nfs/dbraw/zinc/44/45/31/991444531.db2.gz	WMGJLMLUCZFUBD-ROUUACIJSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(C)([NH+]2CCCCC2)CC1	ZINC000875426398	991524648	/nfs/dbraw/zinc/52/46/48/991524648.db2.gz	JWSDAUTVYOGKHC-IRXDYDNUSA-N	1	0	363.502	1.561	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@H]2CCO[C@H]2C2CC2)CC1	ZINC000372809544	991551244	/nfs/dbraw/zinc/55/12/44/991551244.db2.gz	YXIBYIZGCUDYQL-FCEWJHQRSA-N	1	0	374.510	1.614	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1	ZINC000875463811	991588650	/nfs/dbraw/zinc/58/86/50/991588650.db2.gz	ZEEUMHBGQISNOU-INIZCTEOSA-N	1	0	351.491	1.465	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1	ZINC000372857706	991606233	/nfs/dbraw/zinc/60/62/33/991606233.db2.gz	NMQSOJFVRVOKPY-XLIONFOSSA-N	1	0	355.482	1.797	20	30		FDEDRO
C[NH+](C)CCOCCNC(=O)NC1CCN(c2ccccc2C#N)CC1	ZINC000875523622	991696011	/nfs/dbraw/zinc/69/60/11/991696011.db2.gz	DDJXGGWTDDANFF-UHFFFAOYSA-N	1	0	359.474	1.404	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)CCCO1	ZINC000373015103	991786183	/nfs/dbraw/zinc/78/61/83/991786183.db2.gz	QPMQEJRSDFVITF-MRXNPFEDSA-N	1	0	372.469	1.832	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000410845041	991928277	/nfs/dbraw/zinc/92/82/77/991928277.db2.gz	VUBALCLFRYSAKW-HXUWFJFHSA-N	1	0	359.470	1.116	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN2C(=O)N(C)C[C@H]2C1)C(C)C	ZINC000373291607	992124304	/nfs/dbraw/zinc/12/43/04/992124304.db2.gz	FPVRAIZJECEXEC-IRXDYDNUSA-N	1	0	363.506	1.446	20	30		FDEDRO
CC(C)C[C@H](C(N)=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000411196995	992248858	/nfs/dbraw/zinc/24/88/58/992248858.db2.gz	FUIHSHDDDVLNML-GOSISDBHSA-N	1	0	356.470	1.740	20	30		FDEDRO
C=CC[N@H+](CC1CCCCC1)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O	ZINC000411263556	992297801	/nfs/dbraw/zinc/29/78/01/992297801.db2.gz	SWPJYCVPQJTTGU-ZDUSSCGKSA-N	1	0	362.474	1.306	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CC[NH+](CC3CCOCC3)CC1)C2	ZINC000876279001	992519475	/nfs/dbraw/zinc/51/94/75/992519475.db2.gz	LSHAENHVLLNPBZ-HXUWFJFHSA-N	1	0	368.481	1.779	20	30		FDEDRO
COC(=O)[C@@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@H]1c1ccccc1	ZINC000374073685	992590485	/nfs/dbraw/zinc/59/04/85/992590485.db2.gz	CEIGPBVYEYUTTJ-ZWKOTPCHSA-N	1	0	368.437	1.531	20	30		FDEDRO
COC[C@]1(C[NH+](C)C)COCCN1C(=O)[C@H](C)Oc1ccc(C#N)cc1	ZINC000876471221	992629334	/nfs/dbraw/zinc/62/93/34/992629334.db2.gz	LOWJFZATNGFEGH-HNAYVOBHSA-N	1	0	361.442	1.131	20	30		FDEDRO
CC(C)C(=O)N1CCC(NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876581459	992717485	/nfs/dbraw/zinc/71/74/85/992717485.db2.gz	KDPJJVNCEDREJI-SFHVURJKSA-N	1	0	354.454	1.508	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1	ZINC000876618290	992744827	/nfs/dbraw/zinc/74/48/27/992744827.db2.gz	PNQLXEDKTYLMIE-OAHLLOKOSA-N	1	0	373.906	1.802	20	30		FDEDRO
CCCC(=O)NC[C@H]1CCCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876631751	992757101	/nfs/dbraw/zinc/75/71/01/992757101.db2.gz	FCEOQCMFZUPXBH-OXQOHEQNSA-N	1	0	368.481	1.900	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](Cc2ccnc3c(C(=O)OC)cccc23)CC1	ZINC000876633634	992758965	/nfs/dbraw/zinc/75/89/65/992758965.db2.gz	DPHPTKLHDNWUHY-UHFFFAOYSA-N	1	0	365.433	1.983	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000876643042	992765667	/nfs/dbraw/zinc/76/56/67/992765667.db2.gz	RVMGFOZHWPSBQY-SMDDNHRTSA-N	1	0	359.879	1.584	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCN(c2ccc(O)cc2)CC1	ZINC000876707192	992813681	/nfs/dbraw/zinc/81/36/81/992813681.db2.gz	WUXRHCWCYGQIKT-HXUWFJFHSA-N	1	0	362.433	1.799	20	30		FDEDRO
C[C@H](CNC(=O)N1CCC(C#N)(c2ccccn2)CC1)CN1CCOCC1	ZINC000374421822	992833577	/nfs/dbraw/zinc/83/35/77/992833577.db2.gz	HHEKHOBEVPCGAK-QGZVFWFLSA-N	1	0	371.485	1.617	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	ZINC000876728974	992842640	/nfs/dbraw/zinc/84/26/40/992842640.db2.gz	AQAQMGLXBHLOFY-KRWDZBQOSA-N	1	0	351.878	1.981	20	30		FDEDRO
C[C@@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)C(=O)NCC[NH+]1CCCCC1	ZINC000412324709	992908858	/nfs/dbraw/zinc/90/88/58/992908858.db2.gz	VNZYVNPKQNPONL-OAHLLOKOSA-N	1	0	371.485	1.345	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N(CCCN1CCOCC1)Cc1ccncc1	ZINC000876872624	992943360	/nfs/dbraw/zinc/94/33/60/992943360.db2.gz	IMFPZBURRCPPLW-KRWDZBQOSA-N	1	0	366.893	1.602	20	30		FDEDRO
CC[C@@H]1CN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CCN1CC(F)F	ZINC000876888741	992950153	/nfs/dbraw/zinc/95/01/53/992950153.db2.gz	FKUJYBPRVIUXOR-QAPCUYQASA-N	1	0	362.424	1.933	20	30		FDEDRO
CCN1C[C@@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CC1=O	ZINC000374897653	992965544	/nfs/dbraw/zinc/96/55/44/992965544.db2.gz	MSPJJYJCWTZPLZ-KRWDZBQOSA-N	1	0	354.454	1.529	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)s1	ZINC000876919403	992967018	/nfs/dbraw/zinc/96/70/18/992967018.db2.gz	VURAZBCLHZZGAE-CHWSQXEVSA-N	1	0	371.528	1.198	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCn2c(Cc3ccccc3F)nnc2C1	ZINC000876947215	992978065	/nfs/dbraw/zinc/97/80/65/992978065.db2.gz	ZMRQQPZHXRZTGG-AWEZNQCLSA-N	1	0	363.824	1.820	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1	ZINC000876976307	992993103	/nfs/dbraw/zinc/99/31/03/992993103.db2.gz	NRBROOZBNXLIFV-IRXDYDNUSA-N	1	0	350.894	1.389	20	30		FDEDRO
COc1ccc(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)cc1C#N	ZINC000877116854	993057265	/nfs/dbraw/zinc/05/72/65/993057265.db2.gz	XZYSIWPHKAEMCK-UHFFFAOYSA-N	1	0	351.472	1.907	20	30		FDEDRO
COCc1ncc2c(n1)CCN(C(=O)[C@@H]1[NH2+]CCc3cc(C#N)ccc31)C2	ZINC000877129421	993063238	/nfs/dbraw/zinc/06/32/38/993063238.db2.gz	LLQFGQCTQZYZCZ-LJQANCHMSA-N	1	0	363.421	1.266	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CCc3nnc(Cn4cccn4)n3CC2)cc1	ZINC001137117720	993188143	/nfs/dbraw/zinc/18/81/43/993188143.db2.gz	COBPUKTXVCBZFQ-UHFFFAOYSA-N	1	0	363.425	1.484	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)[C@H](C[NH3+])c3ccc(F)cc3)CC2)cn1	ZINC000877297340	993195123	/nfs/dbraw/zinc/19/51/23/993195123.db2.gz	RKSYDAYSMFRCCK-GOSISDBHSA-N	1	0	353.401	1.483	20	30		FDEDRO
N#CCCn1cc(C[N@H+]2CCC[C@](O)(C(N)=O)C2)c(-c2ccccc2)n1	ZINC000375528364	993214522	/nfs/dbraw/zinc/21/45/22/993214522.db2.gz	LTQHFXAKBZMYIE-LJQANCHMSA-N	1	0	353.426	1.276	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC1	ZINC000964985028	1015769510	/nfs/dbraw/zinc/76/95/10/1015769510.db2.gz	BNBLPYPEDXYTKD-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCO[C@H](C(F)(F)F)CC1	ZINC000877382683	993264036	/nfs/dbraw/zinc/26/40/36/993264036.db2.gz	RYKSKSRYPHSNJB-LSDHHAIUSA-N	1	0	353.344	1.925	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)n1cnc(C#N)n1	ZINC000467429633	993301453	/nfs/dbraw/zinc/30/14/53/993301453.db2.gz	PMVVFIAZBDHHDT-AWEZNQCLSA-N	1	0	368.441	1.554	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C	ZINC000877559215	993340331	/nfs/dbraw/zinc/34/03/31/993340331.db2.gz	JUXWZYYUGWSGSH-INIZCTEOSA-N	1	0	362.474	1.942	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC[C@@H]1C[NH3+]	ZINC000923698949	993346101	/nfs/dbraw/zinc/34/61/01/993346101.db2.gz	GVBBBHRGVGVMCF-WDEREUQCSA-N	1	0	372.288	1.926	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncccc1C	ZINC001095556566	993448671	/nfs/dbraw/zinc/44/86/71/993448671.db2.gz	ZHSPXRFFIRVMNL-UMGGQSCQSA-N	1	0	352.482	1.709	20	30		FDEDRO
COCCNC(=O)C1CC[NH+](CC[C@@](C#N)(C(C)=O)c2ccccc2)CC1	ZINC000877916991	993553517	/nfs/dbraw/zinc/55/35/17/993553517.db2.gz	RFYJTRMQVRCPJP-OAQYLSRUSA-N	1	0	371.481	1.902	20	30		FDEDRO
CNC(=O)N[C@@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000468684686	993606141	/nfs/dbraw/zinc/60/61/41/993606141.db2.gz	WJHJERKEKYOOIW-QGZVFWFLSA-N	1	0	352.442	1.967	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1	ZINC000826013402	993624893	/nfs/dbraw/zinc/62/48/93/993624893.db2.gz	NHBDTVXDBMTHJN-UHFFFAOYSA-N	1	0	367.409	1.998	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CC[N@H+]2CC)cc1	ZINC000878283304	993873945	/nfs/dbraw/zinc/87/39/45/993873945.db2.gz	GKPMWZGPUBFKGW-OAHLLOKOSA-N	1	0	366.487	1.709	20	30		FDEDRO
C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C	ZINC000968896461	1015820327	/nfs/dbraw/zinc/82/03/27/1015820327.db2.gz	QVFDUUFEVUCASV-RCCFBDPRSA-N	1	0	358.486	1.882	20	30		FDEDRO
CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1)c1ccccc1	ZINC000878655069	994094389	/nfs/dbraw/zinc/09/43/89/994094389.db2.gz	ZBTFPPIQIYOGSB-PMACEKPBSA-N	1	0	367.453	1.848	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1	ZINC000826071931	994161518	/nfs/dbraw/zinc/16/15/18/994161518.db2.gz	KWRLLYNSHDLNMU-MAUKXSAKSA-N	1	0	357.454	1.830	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC	ZINC000878842892	994280699	/nfs/dbraw/zinc/28/06/99/994280699.db2.gz	KSNGCCVSEBHXDH-OAHLLOKOSA-N	1	0	360.458	1.343	20	30		FDEDRO
C#CCN(C(=O)NCc1cc(C(N)=O)c2n1CCCC2)C1CC[NH+](C)CC1	ZINC000923958931	994301080	/nfs/dbraw/zinc/30/10/80/994301080.db2.gz	CSONNPCZEIXLMN-UHFFFAOYSA-N	1	0	371.485	1.162	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC(=O)N1CCCC1)C2	ZINC000965140802	1015856687	/nfs/dbraw/zinc/85/66/87/1015856687.db2.gz	HENDAMOHJFVEBD-MIKZSQDASA-N	1	0	361.486	1.217	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1ccn(C)c(=O)c1)C2	ZINC000965140905	1015856975	/nfs/dbraw/zinc/85/69/75/1015856975.db2.gz	JLXPLZDGMXRUAN-LOQRQRIXSA-N	1	0	371.481	1.493	20	30		FDEDRO
CC(=O)[C@](C#N)(CCN1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccccc1	ZINC000878993852	994421494	/nfs/dbraw/zinc/42/14/94/994421494.db2.gz	OOMQEOHAMVEJTO-LEWJYISDSA-N	1	0	355.482	1.958	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1nnc(C3CC3)[nH]1)C2	ZINC000965159917	1015864920	/nfs/dbraw/zinc/86/49/20/1015864920.db2.gz	HGLUPEDODLAKSH-KDFLPGDSSA-N	1	0	371.485	1.790	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1nccnc1C)C2	ZINC000965161358	1015864968	/nfs/dbraw/zinc/86/49/68/1015864968.db2.gz	PTUZCMFKDOJDND-VUDQPRSESA-N	1	0	356.470	1.893	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNS(=O)(=O)CC	ZINC001110890698	994559912	/nfs/dbraw/zinc/55/99/12/994559912.db2.gz	DMOJEMKMMNPDGX-OAGGEKHMSA-N	1	0	371.547	1.640	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCO[C@H](C)C1	ZINC001110892066	994587924	/nfs/dbraw/zinc/58/79/24/994587924.db2.gz	KTCYKEBWIKJZJM-VQHPVUNQSA-N	1	0	363.502	1.558	20	30		FDEDRO
C=CCCC[C@H]1NC(=O)N(Cc2cccnc2N2CC[NH+](C)CC2)C1=O	ZINC000924537881	994803021	/nfs/dbraw/zinc/80/30/21/994803021.db2.gz	CCGTUVNVXIPOLC-MRXNPFEDSA-N	1	0	357.458	1.610	20	30		FDEDRO
C[N@H+](CCc1cccc(C#N)c1)[C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O	ZINC000879432484	994909259	/nfs/dbraw/zinc/90/92/59/994909259.db2.gz	LMZYRQUIAQUTGJ-QGZVFWFLSA-N	1	0	357.454	1.975	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000879593996	995063966	/nfs/dbraw/zinc/06/39/66/995063966.db2.gz	UVWDKTWUDZGEAM-IBGZPJMESA-N	1	0	356.470	1.484	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+]C2([C@@H]3CCCCO3)CCC2)CC1	ZINC000879734305	995236434	/nfs/dbraw/zinc/23/64/34/995236434.db2.gz	ISUQIATXYPXTFD-ROUUACIJSA-N	1	0	362.518	1.760	20	30		FDEDRO
C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCNC(C)=O	ZINC001110900512	995422053	/nfs/dbraw/zinc/42/20/53/995422053.db2.gz	CWIZLQKULKUNCO-QRVBRYPASA-N	1	0	363.502	1.444	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H](C(C)(C)O)C2)CC1	ZINC000879963826	995476709	/nfs/dbraw/zinc/47/67/09/995476709.db2.gz	PVTPDJKZHJVHSQ-DLBZAZTESA-N	1	0	350.507	1.162	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(CO)(CO)CC2)c(OC)c1	ZINC000879967852	995480793	/nfs/dbraw/zinc/48/07/93/995480793.db2.gz	FZIMEPMFEVHQDZ-KRWDZBQOSA-N	1	0	365.470	1.230	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1	ZINC000879976112	995504627	/nfs/dbraw/zinc/50/46/27/995504627.db2.gz	UKVYIUZLBJYQTR-FGTMMUONSA-N	1	0	363.502	1.319	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](N3C[C@@H]4CCC[N@H+]4C[C@@H]3CO)C2=O)cc1	ZINC000880072283	995609490	/nfs/dbraw/zinc/60/94/90/995609490.db2.gz	ZMUHYSZADZWEOJ-IPMKNSEASA-N	1	0	354.454	1.195	20	30		FDEDRO
N#Cc1c2c(sc1NC(=O)CCN1C[C@@H]3CCC[N@H+]3C[C@@H]1CO)CCC2	ZINC000880072546	995611071	/nfs/dbraw/zinc/61/10/71/995611071.db2.gz	XMMZSAWVDZWQNN-UONOGXRCSA-N	1	0	374.510	1.578	20	30		FDEDRO
C[C@H](CC(C)(C)C#N)[NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1	ZINC000925462365	995613500	/nfs/dbraw/zinc/61/35/00/995613500.db2.gz	VQSAWYFISUKKGX-CYBMUJFWSA-N	1	0	353.492	1.491	20	30		FDEDRO
CCOC(=O)[C@@H]1CN(CC(=O)N[C@@](C)(C#N)C(C)C)C[C@H]1C(F)(F)F	ZINC000880154995	995691399	/nfs/dbraw/zinc/69/13/99/995691399.db2.gz	KKXLOYPOPXQVAF-JMSVASOKSA-N	1	0	363.380	1.714	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H](N2CCC[C@@H]([NH2+]C3CCOCC3)C2)C1=O	ZINC000880204653	995720905	/nfs/dbraw/zinc/72/09/05/995720905.db2.gz	ZPEHLUGDJGPNIL-SJORKVTESA-N	1	0	374.510	1.958	20	30		FDEDRO
C#CCNC(=O)CC[N@H+]1C[C@@H](C)O[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000880220714	995733914	/nfs/dbraw/zinc/73/39/14/995733914.db2.gz	XHGJBDWEAIAUCS-DNVCBOLYSA-N	1	0	365.474	1.226	20	30		FDEDRO
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[NH+]2CCC(F)CC2)CC1	ZINC000880239696	995746166	/nfs/dbraw/zinc/74/61/66/995746166.db2.gz	CRLMLLPWZPEIPL-GOSISDBHSA-N	1	0	362.424	1.968	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)NCCCCCN1CC[NH2+]CC1	ZINC000926067157	995905517	/nfs/dbraw/zinc/90/55/17/995905517.db2.gz	VMIKEOBXLBKUDQ-UHFFFAOYSA-N	1	0	363.437	1.925	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)C#Cc1ccc3c(c1)OCO3)C2	ZINC000926168229	995954536	/nfs/dbraw/zinc/95/45/36/995954536.db2.gz	FLAJJOPZBYKMHT-RFZJPIJTSA-N	1	0	370.449	1.363	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccccc1OCC#N)C2	ZINC000926177774	995960522	/nfs/dbraw/zinc/96/05/22/995960522.db2.gz	BBIZBTUHUUHDCK-CIWUYKSXSA-N	1	0	357.454	1.798	20	30		FDEDRO
CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)COc3ccccc3C#N)C2)[C@@H]1C(C)C	ZINC000926261621	996005473	/nfs/dbraw/zinc/00/54/73/996005473.db2.gz	DOCVMVKSSCFDCY-JYWFKMLOSA-N	1	0	371.481	1.923	20	30		FDEDRO
CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)COc3ccccc3C#N)C2)[C@H]1C(C)C	ZINC000926261618	996006007	/nfs/dbraw/zinc/00/60/07/996006007.db2.gz	DOCVMVKSSCFDCY-DGQTTZFYSA-N	1	0	371.481	1.923	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1	ZINC000926321538	996053149	/nfs/dbraw/zinc/05/31/49/996053149.db2.gz	QQKAMUHUNLAOOB-QAPCUYQASA-N	1	0	354.454	1.516	20	30		FDEDRO
C#CCOc1ccc(C[NH2+][C@H](C)C2CCN(S(C)(=O)=O)CC2)cc1	ZINC000926529036	996198651	/nfs/dbraw/zinc/19/86/51/996198651.db2.gz	BTJHUHSXLRUPFJ-OAHLLOKOSA-N	1	0	350.484	1.848	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+][C@@H]1CCNC1=O)C2	ZINC000965380819	1016016744	/nfs/dbraw/zinc/01/67/44/1016016744.db2.gz	MMFCOVNUUPNSOW-SIWCOCFESA-N	1	0	361.486	1.263	20	30		FDEDRO
C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1CCNC1=O	ZINC000926674785	996269581	/nfs/dbraw/zinc/26/95/81/996269581.db2.gz	XXAWEEXHJURQOB-ZIAGYGMSSA-N	1	0	350.463	1.784	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)NC[C@H]2CCN(c3ccccc3)C2)CCOCC1	ZINC000887125892	996955144	/nfs/dbraw/zinc/95/51/44/996955144.db2.gz	OEXLRYXOTQOYLO-GOSISDBHSA-N	1	0	355.482	1.791	20	30		FDEDRO
CN1CCN(C(=O)CCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)CC1	ZINC000264073898	997395038	/nfs/dbraw/zinc/39/50/38/997395038.db2.gz	FDZVXRUOISBBIV-UHFFFAOYSA-N	1	0	373.379	1.476	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NC[C@@H]1CCCO[C@@H]1c1ccccc1	ZINC000264073012	997395403	/nfs/dbraw/zinc/39/54/03/997395403.db2.gz	DRJMSHRBRZPZJL-RBUKOAKNSA-N	1	0	360.502	1.781	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@H]1CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000264383919	997491595	/nfs/dbraw/zinc/49/15/95/997491595.db2.gz	DIKZQKSOIXIIAB-HOTGVXAUSA-N	1	0	361.442	1.897	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CNC(=O)NCc2ccc(C)cc2)CC1	ZINC000264446105	997512471	/nfs/dbraw/zinc/51/24/71/997512471.db2.gz	BLURZDBCKQFGON-UHFFFAOYSA-N	1	0	358.486	1.951	20	30		FDEDRO
COCCN(CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccc2c(c1)OCO2	ZINC000264697738	997572005	/nfs/dbraw/zinc/57/20/05/997572005.db2.gz	FYIJUTOMWKRIES-LJQANCHMSA-N	1	0	361.442	1.918	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)CC1	ZINC000887668091	997621666	/nfs/dbraw/zinc/62/16/66/997621666.db2.gz	JYIVCSSGYMTPHN-QGZVFWFLSA-N	1	0	352.523	1.371	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](C(=O)N2CCO[C@](C)(C#N)C2)[C@H](c2cnn(C)c2)C1	ZINC000887692415	997657458	/nfs/dbraw/zinc/65/74/58/997657458.db2.gz	MKAWQPUEVZSECM-JENIJYKNSA-N	1	0	359.474	1.375	20	30		FDEDRO
CC[NH+](CC)[C@@H](CNC(=O)CCNC(=O)C1N=CC=CC1=O)c1ccco1	ZINC000265049528	997684198	/nfs/dbraw/zinc/68/41/98/997684198.db2.gz	PIZREEPJLJNQHC-JGWKNBOWSA-N	1	0	374.441	1.695	20	30		FDEDRO
C[NH+]1CCN(c2cc(C(=O)N3CCC4(CC3)CC(=O)C=CO4)ccn2)CC1	ZINC000887779454	997778735	/nfs/dbraw/zinc/77/87/35/997778735.db2.gz	QXJVOKOIBGMAAD-UHFFFAOYSA-N	1	0	370.453	1.311	20	30		FDEDRO
C[C@H]1CCC[N@H+](CCCCNC(=O)CCNC(=O)C2N=CC=CC2=O)C1	ZINC000265398541	997781330	/nfs/dbraw/zinc/78/13/30/997781330.db2.gz	HMJMVXYFYHHHBN-IJYGLTAASA-N	1	0	362.474	1.531	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(CC#N)n1)c1ccccc1	ZINC000889759572	998611548	/nfs/dbraw/zinc/61/15/48/998611548.db2.gz	MNNFPWMQAKBVGH-MRXNPFEDSA-N	1	0	351.410	1.505	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cc1OC	ZINC000889782528	998655368	/nfs/dbraw/zinc/65/53/68/998655368.db2.gz	RQLVVVGZMMPDRU-DLBZAZTESA-N	1	0	360.454	1.931	20	30		FDEDRO
C[NH+](C)Cc1cc(CNC(=O)C(=O)Nc2cccc(CC#N)n2)ccc1F	ZINC000889930638	998730944	/nfs/dbraw/zinc/73/09/44/998730944.db2.gz	UAVRNMQDHXAWNY-UHFFFAOYSA-N	1	0	369.400	1.603	20	30		FDEDRO
C#CCCCNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000889965597	998750753	/nfs/dbraw/zinc/75/07/53/998750753.db2.gz	OOQRNQUSEAMNLU-GOSISDBHSA-N	1	0	354.454	1.439	20	30		FDEDRO
CC(C)(C#N)CNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000890079861	998808135	/nfs/dbraw/zinc/80/81/35/998808135.db2.gz	ZSBPICXVRDLNOF-QGZVFWFLSA-N	1	0	369.469	1.575	20	30		FDEDRO
C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1cccc(CC#N)n1)c1ccc(F)cc1	ZINC000890285624	998891448	/nfs/dbraw/zinc/89/14/48/998891448.db2.gz	ZRYDIGPMALBGKO-MRXNPFEDSA-N	1	0	369.400	1.644	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1	ZINC000890371472	998917865	/nfs/dbraw/zinc/91/78/65/998917865.db2.gz	WBUJOVIUSFCAIU-PZJWPPBQSA-N	1	0	370.497	1.020	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1	ZINC000890376661	998920671	/nfs/dbraw/zinc/92/06/71/998920671.db2.gz	IUJJFQHGIDNPCF-KRWDZBQOSA-N	1	0	355.486	1.658	20	30		FDEDRO
CSc1ccc(CNC(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc1C#N	ZINC000890451028	998948528	/nfs/dbraw/zinc/94/85/28/998948528.db2.gz	RAWKSQFCXZRPHB-INIZCTEOSA-N	1	0	362.499	1.926	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNc3ccc(C#N)nc3)C2)CC[N@@H+]1C	ZINC001066688217	999025346	/nfs/dbraw/zinc/02/53/46/999025346.db2.gz	YALAIWOMFFDFHJ-OKZBNKHCSA-N	1	0	357.458	1.323	20	30		FDEDRO
CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000266654216	999210020	/nfs/dbraw/zinc/21/00/20/999210020.db2.gz	YZULKGQFHRSLOQ-LJQANCHMSA-N	1	0	371.485	1.395	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(CC(=O)OCC)c2)CC1	ZINC000266717938	999219009	/nfs/dbraw/zinc/21/90/09/999219009.db2.gz	OEMZBAJTKBEWJW-UHFFFAOYSA-N	1	0	373.453	1.497	20	30		FDEDRO
C[NH+](C)CCN1C[C@@H](C(=O)Nc2ncccc2OCCCC#N)CC1=O	ZINC000266816916	999239124	/nfs/dbraw/zinc/23/91/24/999239124.db2.gz	IUACVZLMLCBOAF-AWEZNQCLSA-N	1	0	359.430	1.113	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NC[C@H]2CCc3nnc(C)n3C2)cc1OC	ZINC000267405058	999327300	/nfs/dbraw/zinc/32/73/00/999327300.db2.gz	GSMMUWYSEGWILY-CQSZACIVSA-N	1	0	358.446	1.271	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1	ZINC000267792218	999394887	/nfs/dbraw/zinc/39/48/87/999394887.db2.gz	VLJQSKRTYXYBSJ-MRXNPFEDSA-N	1	0	368.403	1.602	20	30		FDEDRO
Cc1cc(C)n(-c2ccccc2CNC(=[NH2+])NCCCN2CCOCC2)n1	ZINC000268439859	999438959	/nfs/dbraw/zinc/43/89/59/999438959.db2.gz	LOGJDZBRZGPVCD-UHFFFAOYSA-N	1	0	370.501	1.616	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)N1CCc2ccc(C#N)cc21)C[NH+]1CCCCC1	ZINC000270131996	999516626	/nfs/dbraw/zinc/51/66/26/999516626.db2.gz	BPLAQXMAYOLLCC-OAHLLOKOSA-N	1	0	354.454	1.686	20	30		FDEDRO
C[C@@H]1C[NH+](CCCNC(=O)C(=O)N2CCc3ccc(C#N)cc32)C[C@@H](C)O1	ZINC000270132138	999516754	/nfs/dbraw/zinc/51/67/54/999516754.db2.gz	BRPHNAJLZHJHCR-HUUCEWRRSA-N	1	0	370.453	1.063	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCc2n[nH]cc2C1	ZINC000270196082	999524231	/nfs/dbraw/zinc/52/42/31/999524231.db2.gz	IQOMUPNPVYLPKJ-KRWDZBQOSA-N	1	0	351.454	1.977	20	30		FDEDRO
C=CCCOCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000270241490	999529686	/nfs/dbraw/zinc/52/96/86/999529686.db2.gz	JPLAXOGJCSNSQO-RTBURBONSA-N	1	0	361.486	1.761	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1	ZINC000270248338	999530625	/nfs/dbraw/zinc/53/06/25/999530625.db2.gz	WXOXCMIELGPRBY-UHFFFAOYSA-N	1	0	352.438	1.604	20	30		FDEDRO
CC(=O)N(CCc1ccccc1)CC(=O)N(CCC#N)CCC[NH+](C)C	ZINC000270485457	999566021	/nfs/dbraw/zinc/56/60/21/999566021.db2.gz	RJMKPKIEOQQYKF-UHFFFAOYSA-N	1	0	358.486	1.772	20	30		FDEDRO
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)n1	ZINC000271563080	999712377	/nfs/dbraw/zinc/71/23/77/999712377.db2.gz	NHKNERUUVJZJEU-UONOGXRCSA-N	1	0	358.446	1.191	20	30		FDEDRO
C#CCN(CC(=O)N(CCOC)CC(=O)Nc1c(C)cccc1C)C1CC1	ZINC000274167873	999736357	/nfs/dbraw/zinc/73/63/57/999736357.db2.gz	NCOHBAHWFUMVDZ-UHFFFAOYSA-N	1	0	371.481	1.815	20	30		FDEDRO
N#CCC[C@H](C#N)CN1C(=O)N[C@]2(CC[N@H+](Cc3ccccc3)C2)C1=O	ZINC000274368041	999738352	/nfs/dbraw/zinc/73/83/52/999738352.db2.gz	ZERUKZKWUFWYRO-APWZRJJASA-N	1	0	351.410	1.626	20	30		FDEDRO
C=C(C)Cn1c(C)nnc1N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	ZINC000283488273	999755788	/nfs/dbraw/zinc/75/57/88/999755788.db2.gz	CTJWWRPXLCPUGP-UHFFFAOYSA-N	1	0	374.533	1.981	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](OC)c2ccccc2)CC1	ZINC000283721790	999760619	/nfs/dbraw/zinc/76/06/19/999760619.db2.gz	DQUMQBZVDWKAIS-GOSISDBHSA-N	1	0	359.470	1.647	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1	ZINC000284011362	999769617	/nfs/dbraw/zinc/76/96/17/999769617.db2.gz	NRDBHUYKFZMRKM-GOSISDBHSA-N	1	0	354.454	1.651	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1	ZINC000284046092	999775761	/nfs/dbraw/zinc/77/57/61/999775761.db2.gz	PNJCMHGKJYRSKT-GOSISDBHSA-N	1	0	359.470	1.649	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2cccc(NC(C)=O)c2)CC1	ZINC000284114347	999777186	/nfs/dbraw/zinc/77/71/86/999777186.db2.gz	QZADHNUWLVLSAA-CQSZACIVSA-N	1	0	372.469	1.589	20	30		FDEDRO
C=CCOc1ccc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)cc1	ZINC000284912116	999881662	/nfs/dbraw/zinc/88/16/62/999881662.db2.gz	BFPQDANEHYKKSV-UHFFFAOYSA-N	1	0	352.442	1.678	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000285032098	999896385	/nfs/dbraw/zinc/89/63/85/999896385.db2.gz	HTMRGKQJTOZOOO-KRWDZBQOSA-N	1	0	371.481	1.810	20	30		FDEDRO
C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1[C@@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000285890198	999923143	/nfs/dbraw/zinc/92/31/43/999923143.db2.gz	JZJABLQHWXZJHO-AYOQOUSVSA-N	1	0	354.454	1.459	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCOc3ccccc32)CC1	ZINC000285909796	999924695	/nfs/dbraw/zinc/92/46/95/999924695.db2.gz	KERPOXAPNJMYEL-KRWDZBQOSA-N	1	0	357.454	1.783	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)Cc2c(C)noc2C)CC1	ZINC000286439381	999944453	/nfs/dbraw/zinc/94/44/53/999944453.db2.gz	GXKKYJXGKCHDJD-CYBMUJFWSA-N	1	0	362.474	1.495	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1	ZINC000286737626	999947906	/nfs/dbraw/zinc/94/79/06/999947906.db2.gz	ISJCEZDENGVXRL-KRWDZBQOSA-N	1	0	373.497	1.948	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)NCc1cccc(CN2CCO[C@H](C)C2)c1	ZINC000286737629	999948016	/nfs/dbraw/zinc/94/80/16/999948016.db2.gz	ISJCEZDENGVXRL-QGZVFWFLSA-N	1	0	373.497	1.948	20	30		FDEDRO
C[NH+]1CCC(N(Cc2ccccc2)C(=O)C(=O)NCCCCC#N)CC1	ZINC000286738787	999948081	/nfs/dbraw/zinc/94/80/81/999948081.db2.gz	NIHXFRNRGSRMHN-UHFFFAOYSA-N	1	0	356.470	1.919	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)CC1	ZINC000286864181	999952876	/nfs/dbraw/zinc/95/28/76/999952876.db2.gz	ZUYXORJNGIETPC-KRWDZBQOSA-N	1	0	373.472	1.983	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1	ZINC000287388887	999957338	/nfs/dbraw/zinc/95/73/38/999957338.db2.gz	OZIQLIBOZKXBIW-IAGOWNOFSA-N	1	0	359.470	1.857	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1)C(C)C	ZINC000287652051	999959078	/nfs/dbraw/zinc/95/90/78/999959078.db2.gz	AJLSEGYROUZXKV-KRWDZBQOSA-N	1	0	372.469	1.679	20	30		FDEDRO
C[C@@H]1[C@H](NC(=O)NCCn2cnc(C#N)n2)CC[N@@H+]1Cc1ccccc1	ZINC000287986648	999979349	/nfs/dbraw/zinc/97/93/49/999979349.db2.gz	WVHQGCIVOMULPD-GDBMZVCRSA-N	1	0	353.430	1.112	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)C(=O)N(Cc1ccc(C#N)cc1)C(C)C	ZINC000288016886	999982801	/nfs/dbraw/zinc/98/28/01/999982801.db2.gz	CHMAYZFPZDADDG-UHFFFAOYSA-N	1	0	374.485	1.380	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000288031527	999984360	/nfs/dbraw/zinc/98/43/60/999984360.db2.gz	IFFZOPPCDKVZTM-XYPWUTKMSA-N	1	0	355.438	1.721	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C	ZINC000288161641	999992273	/nfs/dbraw/zinc/99/22/73/999992273.db2.gz	MXSYIAGUXRFNRH-WMLDXEAASA-N	1	0	373.428	1.861	20	30		FDEDRO
CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)cc1C#N	ZINC000288242567	1000000413	/nfs/dbraw/zinc/00/04/13/1000000413.db2.gz	SHBQLZMONWXYPG-NSHDSACASA-N	1	0	361.402	1.131	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1	ZINC000288475374	1000020125	/nfs/dbraw/zinc/02/01/25/1000020125.db2.gz	QQZAAEQNFHXWMH-UHFFFAOYSA-N	1	0	359.470	1.294	20	30		FDEDRO
N#CCCn1cc(C[NH2+]CCN2CCCOCC2)c(-c2ccncc2)n1	ZINC000289427107	1000098136	/nfs/dbraw/zinc/09/81/36/1000098136.db2.gz	KCQAFWLALFGBFW-UHFFFAOYSA-N	1	0	354.458	1.671	20	30		FDEDRO
COCCN(CC[NH+](C)C)Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000289445671	1000099485	/nfs/dbraw/zinc/09/94/85/1000099485.db2.gz	MKVSGEGXJZBUOQ-UHFFFAOYSA-N	1	0	356.474	1.869	20	30		FDEDRO
COC(=O)[C@H]1CC[C@@H](C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)O1	ZINC000289483510	1000102144	/nfs/dbraw/zinc/10/21/44/1000102144.db2.gz	IOQDHIKPNJYRTD-ZWKOTPCHSA-N	1	0	371.437	1.313	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(CC(=O)N3CCO[C@H]4CCCC[C@H]43)C2)nc1	ZINC000292328475	1000231753	/nfs/dbraw/zinc/23/17/53/1000231753.db2.gz	WFEBITBOXLBMCY-KURKYZTESA-N	1	0	370.453	1.576	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)NCC3CC[NH+](C4CC4)CC3)C2)nc1	ZINC000292578189	1000243088	/nfs/dbraw/zinc/24/30/88/1000243088.db2.gz	JDIREYUQJIMPTQ-GOSISDBHSA-N	1	0	369.469	1.990	20	30		FDEDRO
C#CCN(C(=O)NCCc1c(F)cc(O)cc1F)C1CC[NH+](C)CC1	ZINC000927784098	1001041215	/nfs/dbraw/zinc/04/12/15/1001041215.db2.gz	FZPPGLKDRZUQHM-UHFFFAOYSA-N	1	0	351.397	1.952	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CCC[C@@H](C[NH2+]C)C3)cc21	ZINC000927790633	1001048270	/nfs/dbraw/zinc/04/82/70/1001048270.db2.gz	JUEIIJRPXUDHHG-AWEZNQCLSA-N	1	0	355.442	1.619	20	30		FDEDRO
N#CCCc1ccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1	ZINC000927808055	1001068657	/nfs/dbraw/zinc/06/86/57/1001068657.db2.gz	XXAJOROMZHKXCT-TZMCWYRMSA-N	1	0	368.359	1.677	20	30		FDEDRO
N#CCCc1ccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cc1	ZINC000927843515	1001102285	/nfs/dbraw/zinc/10/22/85/1001102285.db2.gz	XPYFTFQANHPNOP-UONOGXRCSA-N	1	0	368.359	1.819	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1F	ZINC000927847279	1001111549	/nfs/dbraw/zinc/11/15/49/1001111549.db2.gz	UUCKTPWIVZPTLY-PWSUYJOCSA-N	1	0	358.295	1.374	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1	ZINC000927849775	1001116435	/nfs/dbraw/zinc/11/64/35/1001116435.db2.gz	WFSYJTJUZVAPDO-ZIAGYGMSSA-N	1	0	369.343	1.375	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2	ZINC000927931085	1001226483	/nfs/dbraw/zinc/22/64/83/1001226483.db2.gz	WTVZSZOOYXGJNF-SFHVURJKSA-N	1	0	360.389	1.411	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)CC1	ZINC000928648507	1001606477	/nfs/dbraw/zinc/60/64/77/1001606477.db2.gz	MGWNZYCQWMQVQR-WBVHZDCISA-N	1	0	370.371	1.011	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CCc3nnc(-c4ccccc4)n3C2)CC1	ZINC000928650504	1001608399	/nfs/dbraw/zinc/60/83/99/1001608399.db2.gz	CZHVXZCYJPJBQJ-QGZVFWFLSA-N	1	0	363.465	1.721	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2[nH]c3ccccc3c2CC(=O)OC)CC1	ZINC000928653675	1001610338	/nfs/dbraw/zinc/61/03/38/1001610338.db2.gz	VZOXUDLGALATNK-UHFFFAOYSA-N	1	0	353.422	1.711	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cn(-c3cccc(Cl)c3F)nn2)CC1	ZINC000928653932	1001610367	/nfs/dbraw/zinc/61/03/67/1001610367.db2.gz	GQOMZNVONOXECK-UHFFFAOYSA-N	1	0	361.808	1.887	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CC(c3cc(OC)ccc3OC)=NO2)CC1	ZINC000928653249	1001610492	/nfs/dbraw/zinc/61/04/92/1001610492.db2.gz	FSQJBEBVKJYAEF-IBGZPJMESA-N	1	0	371.437	1.411	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@](C)(O)CSc2cccc(F)c2)CC1	ZINC000928653262	1001610545	/nfs/dbraw/zinc/61/05/45/1001610545.db2.gz	GFDIEQVGBXWZSC-SFHVURJKSA-N	1	0	350.459	1.883	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccc(=O)n(-c3ccccc3F)n2)CC1	ZINC000928654928	1001611105	/nfs/dbraw/zinc/61/11/05/1001611105.db2.gz	NDOGMMSAUBTTOB-UHFFFAOYSA-N	1	0	354.385	1.199	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C[C@H]2CCCN(C(=O)NCC(C)C)C2)CC1	ZINC000928654753	1001611240	/nfs/dbraw/zinc/61/12/40/1001611240.db2.gz	BVXCZUAGLAEFNU-QGZVFWFLSA-N	1	0	362.518	1.668	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cc(I)c[nH]2)CC1	ZINC000928655625	1001611707	/nfs/dbraw/zinc/61/17/07/1001611707.db2.gz	UTDVUXLTYAEJQA-UHFFFAOYSA-N	1	0	357.195	1.447	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@]2(F)CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000928655875	1001611863	/nfs/dbraw/zinc/61/18/63/1001611863.db2.gz	BNXYCHNYKBBEGZ-SFHVURJKSA-N	1	0	353.438	1.549	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CSCC(=O)Nc2ccc(C)cc2)CC1	ZINC000928658816	1001613895	/nfs/dbraw/zinc/61/38/95/1001613895.db2.gz	SXXIQORKSGOBIH-UHFFFAOYSA-N	1	0	359.495	1.881	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CSCN2C(=O)c2ccccc2)CC1	ZINC000928659235	1001614458	/nfs/dbraw/zinc/61/44/58/1001614458.db2.gz	IYNRROPLQBPSRH-QGZVFWFLSA-N	1	0	357.479	1.416	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)CC1	ZINC000928661526	1001616530	/nfs/dbraw/zinc/61/65/30/1001616530.db2.gz	XABWBLOVJOKGJS-UHFFFAOYSA-N	1	0	367.371	1.649	20	30		FDEDRO
C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)C1	ZINC000928715478	1001634197	/nfs/dbraw/zinc/63/41/97/1001634197.db2.gz	DSTRLCHRBGJOMR-VQIMIIECSA-N	1	0	357.458	1.203	20	30		FDEDRO
C[NH+](C)CCn1cc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cn1	ZINC000928721052	1001636897	/nfs/dbraw/zinc/63/68/97/1001636897.db2.gz	JKNDKQKEDGDOPF-KRWDZBQOSA-N	1	0	367.457	1.428	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(c3cccc4[nH]c(=O)[nH]c43)CC2)CC1	ZINC000928924690	1001699942	/nfs/dbraw/zinc/69/99/42/1001699942.db2.gz	BIIIHRBWFLZRAJ-UHFFFAOYSA-N	1	0	367.453	1.262	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(F)cc(F)cc1F)C2	ZINC001110961186	1001740016	/nfs/dbraw/zinc/74/00/16/1001740016.db2.gz	VGXOWORMRLEQJI-DFBGVHRSSA-N	1	0	365.355	1.188	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1C#N	ZINC000929144086	1001771474	/nfs/dbraw/zinc/77/14/74/1001771474.db2.gz	SAIICTZGTHYKQH-LJQANCHMSA-N	1	0	364.449	1.902	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1ccccc1OC(C)C)C1CC[NH+](C)CC1	ZINC000929334265	1001945304	/nfs/dbraw/zinc/94/53/04/1001945304.db2.gz	UWDLPVBGPOKZAC-UHFFFAOYSA-N	1	0	371.481	1.646	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1)C1CC[NH+](C)CC1	ZINC000929380566	1001983075	/nfs/dbraw/zinc/98/30/75/1001983075.db2.gz	YLDAOPCFOZRQEZ-OAHLLOKOSA-N	1	0	352.438	1.291	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1C#N	ZINC000929403878	1002009685	/nfs/dbraw/zinc/00/96/85/1002009685.db2.gz	KNVOZZDWKSGBPV-HZPDHXFCSA-N	1	0	370.497	1.967	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)C[C@H]2C)CC1	ZINC000948156888	1002137869	/nfs/dbraw/zinc/13/78/69/1002137869.db2.gz	GQBDVWPYMXDCGZ-PKOFMYQESA-N	1	0	371.525	1.731	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(NC(=O)[C@H]2CCC[N@H+]2CCC)CC1	ZINC000948475141	1002380411	/nfs/dbraw/zinc/38/04/11/1002380411.db2.gz	BBFHGVFIWXNQOJ-KURKYZTESA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H]1CCCc2sccc21)C1CC[NH+](C)CC1	ZINC000929950229	1002635532	/nfs/dbraw/zinc/63/55/32/1002635532.db2.gz	GVLRNGPUPZTLBM-MRXNPFEDSA-N	1	0	359.495	1.798	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cccc(C#N)c1	ZINC000929954093	1002643063	/nfs/dbraw/zinc/64/30/63/1002643063.db2.gz	WCCLQCQRXJBJRM-KBXCAEBGSA-N	1	0	370.453	1.105	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](c2cnn(C)c2)C(C)C)CC1	ZINC000930009585	1002732909	/nfs/dbraw/zinc/73/29/09/1002732909.db2.gz	HXIKNLYLMUTRDA-QGZVFWFLSA-N	1	0	361.490	1.390	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2	ZINC001110981485	1002770590	/nfs/dbraw/zinc/77/05/90/1002770590.db2.gz	RYDONMVQMSOFCC-ZACQAIPSSA-N	1	0	350.507	1.084	20	30		FDEDRO
C=C(C)CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1	ZINC000948959577	1002876194	/nfs/dbraw/zinc/87/61/94/1002876194.db2.gz	ZCOFQAQJSGKYOT-CEXWTWQISA-N	1	0	371.481	1.701	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1	ZINC000949062063	1002964284	/nfs/dbraw/zinc/96/42/84/1002964284.db2.gz	XSHIDUYNVYESGU-SJORKVTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1C(=O)CNC1=O	ZINC001110984980	1002976276	/nfs/dbraw/zinc/97/62/76/1002976276.db2.gz	PJJGEMRCZKHMPU-CUYVQJCZSA-N	1	0	362.474	1.252	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1nc(C2CC2)cs1)C1CC[NH+](C)CC1	ZINC000930283072	1002995225	/nfs/dbraw/zinc/99/52/25/1002995225.db2.gz	DCQMDWKBAPVSHK-UHFFFAOYSA-N	1	0	360.483	1.193	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2cccn(CC(F)(F)F)c2=O)CC1	ZINC000930340355	1003033820	/nfs/dbraw/zinc/03/38/20/1003033820.db2.gz	KAMPTSDEGOONNK-UHFFFAOYSA-N	1	0	356.348	1.630	20	30		FDEDRO
C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2C(=O)CCC2=O)CC1	ZINC001110989298	1003094934	/nfs/dbraw/zinc/09/49/34/1003094934.db2.gz	KJENWTBEHFCUOC-OAGGEKHMSA-N	1	0	359.470	1.603	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCC[C@H](OCC)C(C)C)C1CC[NH+](C)CC1	ZINC000930418936	1003107237	/nfs/dbraw/zinc/10/72/37/1003107237.db2.gz	QMFCCKYDDJPKNV-KRWDZBQOSA-N	1	0	351.491	1.110	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C(C)(C)C(C)C)C[C@H]2C)CC1	ZINC000949353545	1003249287	/nfs/dbraw/zinc/24/92/87/1003249287.db2.gz	SPBSZYYTCHBAQU-SJLPKXTDSA-N	1	0	361.530	1.977	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[N@H+]2CCc3c(nnn3CCOC)C2)cc1	ZINC000930569985	1003279880	/nfs/dbraw/zinc/27/98/80/1003279880.db2.gz	FGLKQKGZJBPMJT-UHFFFAOYSA-N	1	0	353.426	1.293	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)C(=O)O1	ZINC000930645939	1003356737	/nfs/dbraw/zinc/35/67/37/1003356737.db2.gz	JBVABSYXRJQMJW-KFWWJZLASA-N	1	0	366.458	1.862	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C3CC3)C[C@H]2C)CC1	ZINC000949443467	1003357245	/nfs/dbraw/zinc/35/72/45/1003357245.db2.gz	ACERPSBMBCMZDN-ZWQIFLOQSA-N	1	0	357.498	1.341	20	30		FDEDRO
CC1(C)CC[N@H+](CCNC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1	ZINC000930852287	1003585478	/nfs/dbraw/zinc/58/54/78/1003585478.db2.gz	JFEMOEZXFBWUMH-UHFFFAOYSA-N	1	0	353.430	1.992	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCOC	ZINC001111291545	1003599890	/nfs/dbraw/zinc/59/98/90/1003599890.db2.gz	HVSBBSAUXMXSFG-NXHRZFHOSA-N	1	0	373.453	1.092	20	30		FDEDRO
COC[C@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OCC#N)cc1	ZINC001111000392	1003665802	/nfs/dbraw/zinc/66/58/02/1003665802.db2.gz	HVBJDMSAJVTEKD-YSHGAJCASA-N	1	0	373.453	1.472	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC(=O)NCCC)C2	ZINC001111294060	1003699527	/nfs/dbraw/zinc/69/95/27/1003699527.db2.gz	HFIMWMSKNCJRTR-ZACQAIPSSA-N	1	0	351.491	1.607	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1	ZINC000930957809	1003715722	/nfs/dbraw/zinc/71/57/22/1003715722.db2.gz	GCVAQBVHCMCYOG-IAGOWNOFSA-N	1	0	358.417	1.447	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)CC3CCCC3)C2)CC1	ZINC000949864783	1003758799	/nfs/dbraw/zinc/75/87/99/1003758799.db2.gz	ITVXIJLJBCQDBI-VQIMIIECSA-N	1	0	359.514	1.875	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3cccnc3)C2)CC1	ZINC000949864764	1003758907	/nfs/dbraw/zinc/75/89/07/1003758907.db2.gz	HMLYXGNHEHPKMM-CRAIPNDOSA-N	1	0	354.454	1.004	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000949864919	1003759205	/nfs/dbraw/zinc/75/92/05/1003759205.db2.gz	OGUWUMUTXFFJGW-XFWGSAIBSA-N	1	0	371.525	1.731	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCO[C@@H]2CCOC2)c1	ZINC001111002149	1003759395	/nfs/dbraw/zinc/75/93/95/1003759395.db2.gz	XBJBXOZBRCSQJQ-WTGUMLROSA-N	1	0	369.465	1.594	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@H]2C)cn1	ZINC000949887522	1003780376	/nfs/dbraw/zinc/78/03/76/1003780376.db2.gz	YBJKZWWAQGOYJR-ATZDWAIDSA-N	1	0	368.481	1.514	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1)[NH+]1CCCC1	ZINC000949890304	1003781275	/nfs/dbraw/zinc/78/12/75/1003781275.db2.gz	HEQPDAPCXZSHOW-OLMNPRSZSA-N	1	0	371.485	1.583	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCC2(Nc3ncccc3C#N)CCOCC2)CC[N@@H+]1C	ZINC001111004926	1003921029	/nfs/dbraw/zinc/92/10/29/1003921029.db2.gz	QOXFXYXLZHEVPX-DLBZAZTESA-N	1	0	371.485	1.761	20	30		FDEDRO
C#CC1(O)CC[NH+]([C@@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)CC1	ZINC000931144469	1003922146	/nfs/dbraw/zinc/92/21/46/1003922146.db2.gz	YTEBONOQHCGTQP-HNNXBMFYSA-N	1	0	360.454	1.211	20	30		FDEDRO
Cn1cc(C2=NC[C@@H](C[NH2+]C3(c4ccc(C#N)cc4)CCOCC3)O2)cn1	ZINC000931256107	1003999190	/nfs/dbraw/zinc/99/91/90/1003999190.db2.gz	GWUQRNLPPQTVIP-SFHVURJKSA-N	1	0	365.437	1.733	20	30		FDEDRO
CN(C)c1cc[nH+]c(CNC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)c1	ZINC000931602463	1004306514	/nfs/dbraw/zinc/30/65/14/1004306514.db2.gz	FEPTVMQFZYEJHB-UHFFFAOYSA-N	1	0	351.410	1.294	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Nc1ncccc1CNC(=O)OC(C)(C)C	ZINC000931667468	1004387861	/nfs/dbraw/zinc/38/78/61/1004387861.db2.gz	KTCURMLHBOMAHR-UHFFFAOYSA-N	1	0	361.446	1.793	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccc(F)cc2N2CCOCC2)CC1	ZINC000931722742	1004445134	/nfs/dbraw/zinc/44/51/34/1004445134.db2.gz	KEAZLWISKYIJSC-UHFFFAOYSA-N	1	0	360.433	1.881	20	30		FDEDRO
CN(C(=O)C[N@@H+]1CCC[C@H]([C@]2(C)COC(=O)N2)C1)C1(C#N)CCCCC1	ZINC000932030145	1004718071	/nfs/dbraw/zinc/71/80/71/1004718071.db2.gz	SCSMAADDWHLKJR-YJBOKZPZSA-N	1	0	362.474	1.882	20	30		FDEDRO
C[C@]1(C2CC[NH+](C[C@@H](O)CC3(C#N)CCOCC3)CC2)COC(=O)N1	ZINC000932102865	1004771748	/nfs/dbraw/zinc/77/17/48/1004771748.db2.gz	PRGBVIJNTUYHQV-DOTOQJQBSA-N	1	0	351.447	1.268	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@@H]2C[C@@H]3CC[C@H]2N3C(=O)OC(C)(C)C)CC1	ZINC000932177973	1004810438	/nfs/dbraw/zinc/81/04/38/1004810438.db2.gz	GXAJQBMNWJYTDC-RRFJBIMHSA-N	1	0	362.474	1.879	20	30		FDEDRO
COC(C)(C)[C@@H](C)[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000932370758	1004928574	/nfs/dbraw/zinc/92/85/74/1004928574.db2.gz	PHWAYXAYWTXDGZ-CABCVRRESA-N	1	0	364.515	1.860	20	30		FDEDRO
C#CC1(O)CCN(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1	ZINC000932422755	1004950899	/nfs/dbraw/zinc/95/08/99/1004950899.db2.gz	YSFIKSMSAGEASK-LJQANCHMSA-N	1	0	368.481	1.963	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1C#N	ZINC000932476041	1004978498	/nfs/dbraw/zinc/97/84/98/1004978498.db2.gz	ZQOKFROXUGTJQL-OAHLLOKOSA-N	1	0	356.470	1.721	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(C)c(C#N)c2)C[C@@H]1C	ZINC000932475926	1004978528	/nfs/dbraw/zinc/97/85/28/1004978528.db2.gz	SLLKMUIIGSTDNQ-YJBOKZPZSA-N	1	0	356.470	1.814	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1C#N	ZINC000932478162	1004980094	/nfs/dbraw/zinc/98/00/94/1004980094.db2.gz	YXWMSVKGZRGRJC-SFHVURJKSA-N	1	0	354.454	1.616	20	30		FDEDRO
COc1cc(C#N)ccc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000932578345	1005022182	/nfs/dbraw/zinc/02/21/82/1005022182.db2.gz	XBHGESGJMXKWNN-QGZVFWFLSA-N	1	0	356.470	1.807	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C[C@]1(C)CCS(=O)(=O)N1)C(C)C	ZINC000932706605	1005113213	/nfs/dbraw/zinc/11/32/13/1005113213.db2.gz	BGINZJXVNFIYBC-RDJZCZTQSA-N	1	0	357.520	1.273	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(CN3CCNC3=O)CC2)cc1	ZINC000933581367	1005582958	/nfs/dbraw/zinc/58/29/58/1005582958.db2.gz	ZQGCBDRDLAMSOJ-GOSISDBHSA-N	1	0	372.469	1.230	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1OCCC[NH+]1CCC2(CC1)CC(=O)C=CO2	ZINC000933648354	1005598183	/nfs/dbraw/zinc/59/81/83/1005598183.db2.gz	YBOOYMMXKPGMFK-UHFFFAOYSA-N	1	0	370.405	1.942	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC3(CC2)CC(=O)C=CO3)cc1	ZINC000933648446	1005598185	/nfs/dbraw/zinc/59/81/85/1005598185.db2.gz	ZMIBTFGEVKEATI-SFHVURJKSA-N	1	0	356.422	1.830	20	30		FDEDRO
C=CCn1cc2ccc(NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)cc2n1	ZINC000933668860	1005603933	/nfs/dbraw/zinc/60/39/33/1005603933.db2.gz	YQOLQCIFRYPAQM-UHFFFAOYSA-N	1	0	372.473	1.706	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@H]1CS(N)(=O)=O	ZINC000933698476	1005611206	/nfs/dbraw/zinc/61/12/06/1005611206.db2.gz	SBSZXTXAITZMGO-MFKMUULPSA-N	1	0	361.389	1.933	20	30		FDEDRO
COC(=O)[C@@H]1C[N@H+](CCO[C@@H](C)C#N)CC12CN(C(=O)OC(C)(C)C)C2	ZINC000934051800	1005680712	/nfs/dbraw/zinc/68/07/12/1005680712.db2.gz	FDKICEQMXQZQOQ-KBPBESRZSA-N	1	0	367.446	1.257	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn3cc(C)cnc13)C2	ZINC001111076595	1005761256	/nfs/dbraw/zinc/76/12/56/1005761256.db2.gz	OQLPZMYJGUKUCV-OIISXLGYSA-N	1	0	355.442	1.575	20	30		FDEDRO
CN(C)[S@@](C)(=O)=NCC1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1	ZINC000934756795	1005793985	/nfs/dbraw/zinc/79/39/85/1005793985.db2.gz	WNHCIIIBKPHSCV-CJAUYULYSA-N	1	0	364.515	1.878	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C(C)(C)C	ZINC001114553388	1006333792	/nfs/dbraw/zinc/33/37/92/1006333792.db2.gz	LJFGBDYXBVVJQY-ILYVXUQDSA-N	1	0	359.514	1.916	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1)C2	ZINC001111129625	1006336164	/nfs/dbraw/zinc/33/61/64/1006336164.db2.gz	ZAUDVSOMXXZVMV-IEWDOMPSSA-N	1	0	374.485	1.212	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CCN(c3cccc(F)c3C#N)C2)CC[N@@H+]1C	ZINC001111141820	1006408825	/nfs/dbraw/zinc/40/88/25/1006408825.db2.gz	KGDXDUPCDSXWGX-LPMFXHHGSA-N	1	0	360.433	1.095	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O)C2	ZINC001111177925	1006648243	/nfs/dbraw/zinc/64/82/43/1006648243.db2.gz	INCQJDRMKRNZDQ-ZCDTZLGTSA-N	1	0	360.458	1.815	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C=CC(=O)Nc2ccc3n[nH]cc3c2)CC1	ZINC000778710079	1006677830	/nfs/dbraw/zinc/67/78/30/1006677830.db2.gz	GFZYZQVQSFNKHP-AATRIKPKSA-N	1	0	353.426	1.824	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC(=O)NC1CCCC1)C2	ZINC001111182883	1006699356	/nfs/dbraw/zinc/69/93/56/1006699356.db2.gz	FWPMMMPEGYZFJL-KURKYZTESA-N	1	0	361.486	1.197	20	30		FDEDRO
C=CC[C@@]1(C(=O)N(C)CC(=O)Nc2ccc3c(c2)OCCO3)CCC[NH2+]1	ZINC000638780565	1006778554	/nfs/dbraw/zinc/77/85/54/1006778554.db2.gz	SNHFLQXJPVYTSU-IBGZPJMESA-N	1	0	359.426	1.553	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3cnccc3c1)C2	ZINC001111230056	1006982168	/nfs/dbraw/zinc/98/21/68/1006982168.db2.gz	FNZPDKFGTTZEAR-QRVBRYPASA-N	1	0	362.433	1.319	20	30		FDEDRO
CCN(CCC#N)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nocc1C)C2	ZINC001111231899	1006990483	/nfs/dbraw/zinc/99/04/83/1006990483.db2.gz	WLFOSQGAKIQCSS-KFWWJZLASA-N	1	0	359.430	1.080	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCCS(=O)(=O)C1)C2	ZINC001111240097	1007028996	/nfs/dbraw/zinc/02/89/96/1007028996.db2.gz	OKDYDELIOPMYHU-VQHPVUNQSA-N	1	0	354.516	1.889	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](OC)C(F)(F)F)C2	ZINC001111240065	1007033562	/nfs/dbraw/zinc/03/35/62/1007033562.db2.gz	NNEAJQLYHZOYJH-YIYPIFLZSA-N	1	0	350.381	1.878	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn([C@H](C)CC)c1C)C2	ZINC001111258876	1007261683	/nfs/dbraw/zinc/26/16/83/1007261683.db2.gz	GMJAUJWHKIJUGL-UWIFEVILSA-N	1	0	373.501	1.800	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N(C)CC	ZINC001111261450	1007293285	/nfs/dbraw/zinc/29/32/85/1007293285.db2.gz	RNKFDFVUMKRYAH-OAGGEKHMSA-N	1	0	372.469	1.460	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1	ZINC000955342520	1007346950	/nfs/dbraw/zinc/34/69/50/1007346950.db2.gz	XTUAPNDGNSPGMT-AYBZRNKSSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1	ZINC000955364985	1007387136	/nfs/dbraw/zinc/38/71/36/1007387136.db2.gz	AAVQXRGCZQUHQO-NXHRZFHOSA-N	1	0	363.502	1.510	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CCN(C(=O)C[N@@H+](C)C2CCC2)C1	ZINC000957011044	1007516970	/nfs/dbraw/zinc/51/69/70/1007516970.db2.gz	ACBXZSMHQCNFMR-UWVAXJGDSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CCN(C(=O)C2CC[NH+](C)CC2)C1	ZINC000957011832	1007518187	/nfs/dbraw/zinc/51/81/87/1007518187.db2.gz	UEUXDGDZHKZGPA-FUHIMQAGSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)nc1	ZINC000947631827	1007762512	/nfs/dbraw/zinc/76/25/12/1007762512.db2.gz	OOIJEAAKMVFELM-PKOBYXMFSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)C2CC[NH+](C)CC2)C1	ZINC000957166213	1007925894	/nfs/dbraw/zinc/92/58/94/1007925894.db2.gz	JTWBSVNZGVYRHP-UWVAXJGDSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1	ZINC000956176117	1007930245	/nfs/dbraw/zinc/93/02/45/1007930245.db2.gz	BDIKAWOMIBCTLO-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CCN(C(=O)[C@H](CC)[NH+](C)C)CC1	ZINC000956500912	1008183742	/nfs/dbraw/zinc/18/37/42/1008183742.db2.gz	KUWHQUBBHKWSID-PMPSAXMXSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1	ZINC000956501330	1008185012	/nfs/dbraw/zinc/18/50/12/1008185012.db2.gz	YDUCNSHLIOMQOO-IKGGRYGDSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=CCn1cc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)nn1	ZINC000648819708	1008652630	/nfs/dbraw/zinc/65/26/30/1008652630.db2.gz	UJKUBDVLZOMPEB-UHFFFAOYSA-N	1	0	355.442	1.921	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)nn1	ZINC000648833682	1008667529	/nfs/dbraw/zinc/66/75/29/1008667529.db2.gz	WCZWMPPFOSTOFE-SJORKVTESA-N	1	0	355.442	1.077	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1	ZINC001006455054	1008988999	/nfs/dbraw/zinc/98/89/99/1008988999.db2.gz	FWYBSNANQYSMLT-XIRDDKMYSA-N	1	0	361.486	1.027	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2C)cc1	ZINC000950390336	1009120923	/nfs/dbraw/zinc/12/09/23/1009120923.db2.gz	XXCRQWWXUZJZLT-DNVCBOLYSA-N	1	0	353.466	1.729	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]CC2CCS(=O)(=O)CC2)C1	ZINC000779416512	1009131195	/nfs/dbraw/zinc/13/11/95/1009131195.db2.gz	NZVIGQGSINBULE-UONOGXRCSA-N	1	0	357.476	1.160	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)CC1	ZINC000796361152	1009415543	/nfs/dbraw/zinc/41/55/43/1009415543.db2.gz	RXDAAVJWDXPTSZ-NJDAHSKKSA-N	1	0	367.493	1.268	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(CC)ccn2)C1	ZINC000950648549	1009469269	/nfs/dbraw/zinc/46/92/69/1009469269.db2.gz	QDRLKYDDKAPTRC-LZQZEXGQSA-N	1	0	368.481	1.318	20	30		FDEDRO
N#Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2coc(C(N)=O)c2)C3)cc1	ZINC001095809127	1009577923	/nfs/dbraw/zinc/57/79/23/1009577923.db2.gz	PKBRMZARWONPBJ-IKGGRYGDSA-N	1	0	364.405	1.785	20	30		FDEDRO
N#Cc1ccc(NC2CC[NH+](CCNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)nc1	ZINC001111322583	1009590634	/nfs/dbraw/zinc/59/06/34/1009590634.db2.gz	QVXTZOMGPPEWGO-KURKYZTESA-N	1	0	369.469	1.513	20	30		FDEDRO
CCc1cccc(NC(=[NH2+])NCc2ccc(C(=O)NCC(N)=O)cc2)c1	ZINC000303870704	1009644827	/nfs/dbraw/zinc/64/48/27/1009644827.db2.gz	BIUHVODVGSRPDB-UHFFFAOYSA-N	1	0	353.426	1.391	20	30		FDEDRO
C[NH+]=C(NCCOc1cccc2ccccc21)NCCN1CCOCC1	ZINC000303882669	1009670468	/nfs/dbraw/zinc/67/04/68/1009670468.db2.gz	LTMVHDVOIFCNMF-UHFFFAOYSA-N	1	0	356.470	1.716	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCN2c3ccccc3C[C@H]2C)CC1	ZINC000303990536	1009794293	/nfs/dbraw/zinc/79/42/93/1009794293.db2.gz	YTYGABVUSRQDKP-OAHLLOKOSA-N	1	0	373.501	1.963	20	30		FDEDRO
C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1	ZINC000960312388	1009965709	/nfs/dbraw/zinc/96/57/09/1009965709.db2.gz	AJYNLRUGBCBTQN-VBSBHUPXSA-N	1	0	364.449	1.293	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)nn1	ZINC000648269116	1010328598	/nfs/dbraw/zinc/32/85/98/1010328598.db2.gz	DGOGXZPMRWQGAY-CQSZACIVSA-N	1	0	372.448	1.846	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1COc3ccccc3O1)C2	ZINC001111344196	1010349454	/nfs/dbraw/zinc/34/94/54/1010349454.db2.gz	UFPCDZFRNHMOED-OAFZBRQQSA-N	1	0	358.438	1.751	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1	ZINC000951111703	1010463650	/nfs/dbraw/zinc/46/36/50/1010463650.db2.gz	PWDHEUADWNSIPP-QRVBRYPASA-N	1	0	371.481	1.670	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1	ZINC000951112876	1010465603	/nfs/dbraw/zinc/46/56/03/1010465603.db2.gz	IKYDQDJEAZAASR-KBAYOESNSA-N	1	0	371.481	1.922	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1	ZINC000951131895	1010495346	/nfs/dbraw/zinc/49/53/46/1010495346.db2.gz	IHYZRISCJMKJHZ-ZTFGCOKTSA-N	1	0	371.485	1.583	20	30		FDEDRO
C=CC[C@@H](CO)[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC	ZINC000648517486	1010504153	/nfs/dbraw/zinc/50/41/53/1010504153.db2.gz	SXFGVSRRTMTDTL-FZMZJTMJSA-N	1	0	371.275	1.989	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3OCCN(C(=O)C[C@@H]4CC[N@@H+](C)C4)[C@H]3C2)C1	ZINC000960657036	1010553761	/nfs/dbraw/zinc/55/37/61/1010553761.db2.gz	FZRGZAWJILHUJO-YESZJQIVSA-N	1	0	361.486	1.123	20	30		FDEDRO
C#C[C@H](NC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCO1	ZINC000779659954	1010682345	/nfs/dbraw/zinc/68/23/45/1010682345.db2.gz	DPTSBOGWUQEBTL-QKNQBKEWSA-N	1	0	371.481	1.446	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1	ZINC000951338462	1010736920	/nfs/dbraw/zinc/73/69/20/1010736920.db2.gz	YYSPXNDYFOLDIH-KZNAEPCWSA-N	1	0	359.514	1.731	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC000951421537	1010823941	/nfs/dbraw/zinc/82/39/41/1010823941.db2.gz	RJRSSJYQRXAREA-ZACQAIPSSA-N	1	0	361.486	1.171	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)Cc2ccccc2N2CCOCC2)CC1	ZINC000194037810	1011120056	/nfs/dbraw/zinc/12/00/56/1011120056.db2.gz	YYRVKRMEEJLFAD-UHFFFAOYSA-N	1	0	355.482	1.827	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cccc(C[NH+](C)C)c1	ZINC000952177646	1011389593	/nfs/dbraw/zinc/38/95/93/1011389593.db2.gz	IVAJZFCXQHFSMT-OTWHNJEPSA-N	1	0	371.481	1.670	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2ccco2)CC1	ZINC000952220726	1011516827	/nfs/dbraw/zinc/51/68/27/1011516827.db2.gz	ZHYGQMBFVVBYTR-KZNAEPCWSA-N	1	0	369.465	1.445	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCCN(C(=O)C#CC2CC2)C3)CC[N@@H+]1C	ZINC000952914694	1012118321	/nfs/dbraw/zinc/11/83/21/1012118321.db2.gz	SOAXPCNVYPTGBN-HGHGUNKESA-N	1	0	357.498	1.581	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]cc1C)C2	ZINC001111405776	1012175541	/nfs/dbraw/zinc/17/55/41/1012175541.db2.gz	CMIZUMNJQJQYLD-NXHRZFHOSA-N	1	0	356.470	1.859	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)CC[N@@H+]1C	ZINC000953141208	1012272145	/nfs/dbraw/zinc/27/21/45/1012272145.db2.gz	TZSWUYJUZJXOGP-AKCHCHLHSA-N	1	0	369.469	1.291	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H]2CCCN3C(=O)[C@@H]2C[C@H]2CC)CC1	ZINC000963589234	1012443224	/nfs/dbraw/zinc/44/32/24/1012443224.db2.gz	DKMYSRQLQONHBA-LMCOJAPRSA-N	1	0	371.525	1.970	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ccnc(OC)n2)C1	ZINC000961853005	1012944425	/nfs/dbraw/zinc/94/44/25/1012944425.db2.gz	KXJDMJSQDUGQMX-BNICSPFPSA-N	1	0	360.458	1.451	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ccc(OC)nn2)C1	ZINC000961854381	1012946173	/nfs/dbraw/zinc/94/61/73/1012946173.db2.gz	WDZLHVOPDISOLC-BNICSPFPSA-N	1	0	360.458	1.451	20	30		FDEDRO
CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000190613511	178014279	/nfs/dbraw/zinc/01/42/79/178014279.db2.gz	UZZRUOVDVMCACL-QAPCUYQASA-N	1	0	356.470	1.896	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@@H]3CN3CCOCC3)C2=O)cc1	ZINC000192604561	178123096	/nfs/dbraw/zinc/12/30/96/178123096.db2.gz	JJGXQDLTRBSFCJ-UXHICEINSA-N	1	0	368.481	1.850	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)CSCc2ccc(C#N)cc2)CC1(C)C	ZINC000508286372	538929648	/nfs/dbraw/zinc/92/96/48/538929648.db2.gz	FDEOXDRPVGXLGG-UHFFFAOYSA-N	1	0	360.527	1.934	20	30		FDEDRO
C=CCn1c(-c2ccccn2)nnc1N1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000508730718	538936377	/nfs/dbraw/zinc/93/63/77/538936377.db2.gz	RGOQAPWSBALNFU-UHFFFAOYSA-N	1	0	369.473	1.126	20	30		FDEDRO
C[C@@H](NC(=O)CCc1ccc(C#N)cc1)C(=O)NCC[NH+]1CCCCC1	ZINC000508703273	538936067	/nfs/dbraw/zinc/93/60/67/538936067.db2.gz	IISJGGOYLJMJFH-MRXNPFEDSA-N	1	0	356.470	1.598	20	30		FDEDRO
Cc1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)nn1-c1cccc(C#N)c1	ZINC000509283818	538946592	/nfs/dbraw/zinc/94/65/92/538946592.db2.gz	GKMKQMVYXJWBML-GOSISDBHSA-N	1	0	367.453	1.629	20	30		FDEDRO
CN1CC[NH+](CC2CCN(C(=O)Cc3c(F)cccc3C#N)CC2)CC1	ZINC000511731125	538963041	/nfs/dbraw/zinc/96/30/41/538963041.db2.gz	WTINKJNIAWEDLS-UHFFFAOYSA-N	1	0	358.461	1.726	20	30		FDEDRO
C=CCNC(=O)CN1CC[NH+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1	ZINC000513961055	539009480	/nfs/dbraw/zinc/00/94/80/539009480.db2.gz	USXNELWBSKCDMT-SFHVURJKSA-N	1	0	370.497	1.069	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC(NC(=O)C(C)C)CC2)CC1	ZINC000517319499	539362536	/nfs/dbraw/zinc/36/25/36/539362536.db2.gz	XJROVQGUCDZJIL-UHFFFAOYSA-N	1	0	350.507	1.973	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(NC(=O)N(C)Cc2cccc(C#N)c2)CC1	ZINC000518805685	539447729	/nfs/dbraw/zinc/44/77/29/539447729.db2.gz	PMDDWGNMMWHBNR-UHFFFAOYSA-N	1	0	371.485	1.642	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Cn1cc(C(N)=O)c2ccccc21	ZINC000519098565	539466441	/nfs/dbraw/zinc/46/64/41/539466441.db2.gz	QCMLPAARIBQZFS-UHFFFAOYSA-N	1	0	355.442	1.434	20	30		FDEDRO
COc1cccc([C@@H]2C[C@@H]2C(=O)N(CCC#N)CCN2CCOCC2)c1	ZINC000520735650	539508779	/nfs/dbraw/zinc/50/87/79/539508779.db2.gz	QIIIGZSKZQASTC-OALUTQOASA-N	1	0	357.454	1.873	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)c(OC)n1	ZINC000521995554	539526322	/nfs/dbraw/zinc/52/63/22/539526322.db2.gz	ISIHKRVQFUXUGV-MRXNPFEDSA-N	1	0	357.410	1.694	20	30		FDEDRO
CC(C)[NH+](CCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(C)C	ZINC000522017823	539534215	/nfs/dbraw/zinc/53/42/15/539534215.db2.gz	VZCBZKFPIQZZJS-UHFFFAOYSA-N	1	0	366.487	1.072	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1	ZINC000264509171	179125546	/nfs/dbraw/zinc/12/55/46/179125546.db2.gz	SNTLDRNEYCUGKY-MRXNPFEDSA-N	1	0	370.453	1.982	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1	ZINC000265404800	179367493	/nfs/dbraw/zinc/36/74/93/179367493.db2.gz	BNJOHUIYRUSNGZ-CQSZACIVSA-N	1	0	358.442	1.744	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1C#N	ZINC000528061917	539729338	/nfs/dbraw/zinc/72/93/38/539729338.db2.gz	YWLNQKLVEFHJES-INIZCTEOSA-N	1	0	363.483	1.646	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000268203967	180024385	/nfs/dbraw/zinc/02/43/85/180024385.db2.gz	YBKRKGUNTKXXFB-RHSMWYFYSA-N	1	0	354.458	1.268	20	30		FDEDRO
CC(C)OCC[NH+]1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000528396123	539755994	/nfs/dbraw/zinc/75/59/94/539755994.db2.gz	PUPXKMNBCHYCJP-UHFFFAOYSA-N	1	0	369.465	1.329	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1	ZINC000270069774	180449032	/nfs/dbraw/zinc/44/90/32/180449032.db2.gz	AUAKJJFSDQPKNB-INIZCTEOSA-N	1	0	370.453	1.696	20	30		FDEDRO
COc1ccc([C@@H](CCO)[NH2+]CC(=O)NCc2ccc(C#N)cc2)cc1	ZINC000271735642	180643675	/nfs/dbraw/zinc/64/36/75/180643675.db2.gz	ZIUHTZWCUBGGFM-LJQANCHMSA-N	1	0	353.422	1.896	20	30		FDEDRO
C[C@@H]([NH2+]C1(CNC(=O)c2cnn(C)c2C#N)CCOCC1)c1ccccc1	ZINC000530283494	539930485	/nfs/dbraw/zinc/93/04/85/539930485.db2.gz	JMJFROZOHHROSR-OAHLLOKOSA-N	1	0	367.453	1.922	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCC[N@H+]2CC[C@H](C)C2)cc1	ZINC000530806560	540045126	/nfs/dbraw/zinc/04/51/26/540045126.db2.gz	VCKYVGXLOKKJIH-AWEZNQCLSA-N	1	0	373.457	1.391	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@@H]1[NH+]1CCCC1	ZINC000274783479	181165195	/nfs/dbraw/zinc/16/51/95/181165195.db2.gz	KRKIDPPFUVFCAS-JKSUJKDBSA-N	1	0	369.487	1.898	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)Cc2cccc(C#N)c2)C[C@H]1[NH+]1CCCC1	ZINC000274822951	181171823	/nfs/dbraw/zinc/17/18/23/181171823.db2.gz	QNIKHEZVEZOCLT-IAGOWNOFSA-N	1	0	365.524	1.900	20	30		FDEDRO
Cc1c(NC(=O)N(CCC#N)CCC[NH+](C)C)cccc1-n1cnnn1	ZINC000531256931	540090456	/nfs/dbraw/zinc/09/04/56/540090456.db2.gz	PPYATAIQSXEKIC-UHFFFAOYSA-N	1	0	356.434	1.670	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cc(CC#N)ccn2)CC1=O	ZINC000532434304	540163091	/nfs/dbraw/zinc/16/30/91/540163091.db2.gz	VSLXMXBUEQNKHG-HOTGVXAUSA-N	1	0	355.442	1.419	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)n(CCC#N)n1	ZINC000533320926	540232107	/nfs/dbraw/zinc/23/21/07/540232107.db2.gz	CBIHYEDWWCVIMJ-UHFFFAOYSA-N	1	0	368.441	1.422	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)Cn2c(C)nc3ccccc32)c1C#N	ZINC000534792026	540413320	/nfs/dbraw/zinc/41/33/20/540413320.db2.gz	CNONMPJJEPJXIZ-UHFFFAOYSA-N	1	0	351.414	1.730	20	30		FDEDRO
C[C@@H]([NH2+]CCN1CCN(c2ncccn2)CC1)c1ccc(C#N)c(F)c1	ZINC000537406180	540727410	/nfs/dbraw/zinc/72/74/10/540727410.db2.gz	BSRCXISBPPFAAY-OAHLLOKOSA-N	1	0	354.433	1.960	20	30		FDEDRO
C=CCC[C@@H]([NH2+]CC(=O)N1CCN(CC(=O)N(C)C)CC1)c1ccccc1	ZINC000538258472	540833359	/nfs/dbraw/zinc/83/33/59/540833359.db2.gz	ZANBXSKBFBAKNZ-LJQANCHMSA-N	1	0	372.513	1.516	20	30		FDEDRO
C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ncn(C)n1	ZINC000275457147	181322620	/nfs/dbraw/zinc/32/26/20/181322620.db2.gz	HHRLAYXWEBBFKW-CQSZACIVSA-N	1	0	355.446	1.521	20	30		FDEDRO
COC1CC[NH+](C2(CNC(=O)Cc3noc(C)c3C#N)CCCC2)CC1	ZINC000540925904	541115859	/nfs/dbraw/zinc/11/58/59/541115859.db2.gz	FEPFAZZYPLPKRR-UHFFFAOYSA-N	1	0	360.458	1.937	20	30		FDEDRO
C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1cccc(S(N)(=O)=O)c1	ZINC000542134465	541345465	/nfs/dbraw/zinc/34/54/65/541345465.db2.gz	GLHHXYQIMXKXMR-ZDUSSCGKSA-N	1	0	372.450	1.885	20	30		FDEDRO
CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)cc1	ZINC000269467914	674109508	/nfs/dbraw/zinc/10/95/08/674109508.db2.gz	KRIBSOHSAJYVLH-KRWDZBQOSA-N	1	0	364.515	1.798	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1	ZINC000542830187	541481407	/nfs/dbraw/zinc/48/14/07/541481407.db2.gz	UCFIRQICFWVRDC-CYBMUJFWSA-N	1	0	359.478	1.454	20	30		FDEDRO
C[C@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1C#N)[NH+]1CCC(C)CC1	ZINC000542830419	541481533	/nfs/dbraw/zinc/48/15/33/541481533.db2.gz	SJYNJMZSYDTNCS-CQSZACIVSA-N	1	0	361.494	1.558	20	30		FDEDRO
N#CCC1CC[NH+](CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)CC1	ZINC000542878675	541493541	/nfs/dbraw/zinc/49/35/41/541493541.db2.gz	JLLYJUNJKLHKRK-UHFFFAOYSA-N	1	0	369.469	1.988	20	30		FDEDRO
CC[NH+](CC)CCOCCNC(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000544493003	541775944	/nfs/dbraw/zinc/77/59/44/541775944.db2.gz	KWOGGYGPFOWDHH-UHFFFAOYSA-N	1	0	350.394	1.110	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1	ZINC000544856138	541844587	/nfs/dbraw/zinc/84/45/87/541844587.db2.gz	HRPJISTWTUMHFJ-MRXNPFEDSA-N	1	0	356.474	1.515	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1	ZINC000544856137	541844677	/nfs/dbraw/zinc/84/46/77/541844677.db2.gz	HRPJISTWTUMHFJ-INIZCTEOSA-N	1	0	356.474	1.515	20	30		FDEDRO
C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ncnn1C	ZINC000276928315	181685404	/nfs/dbraw/zinc/68/54/04/181685404.db2.gz	PMGOZOMUDZYUAF-AWEZNQCLSA-N	1	0	355.446	1.521	20	30		FDEDRO
CS[C@H]1CN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C[C@H]1[NH+](C)C	ZINC000282724897	182048437	/nfs/dbraw/zinc/04/84/37/182048437.db2.gz	LYYRSMWOIBJELN-SJORKVTESA-N	1	0	355.467	1.862	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1	ZINC000283253768	182141055	/nfs/dbraw/zinc/14/10/55/182141055.db2.gz	BJPFJCSCQAWENR-IBGZPJMESA-N	1	0	362.433	1.565	20	30		FDEDRO
CC[NH+](CC)[C@H](CNC(=O)C(=O)NCc1cccc(C#N)c1)c1ccco1	ZINC000283508186	182201703	/nfs/dbraw/zinc/20/17/03/182201703.db2.gz	BJJGZKUAUWNHEV-QGZVFWFLSA-N	1	0	368.437	1.967	20	30		FDEDRO
Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000283824976	182284046	/nfs/dbraw/zinc/28/40/46/182284046.db2.gz	QKUKBXJFHWIMJV-MRXNPFEDSA-N	1	0	352.442	1.512	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1)c1ccc(C#N)cc1	ZINC000283857227	182294529	/nfs/dbraw/zinc/29/45/29/182294529.db2.gz	FXRGRBDHXXFAAG-JKSUJKDBSA-N	1	0	356.470	1.972	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)C(=O)NCc2cccc(C#N)c2)CCCCCC1	ZINC000284033987	182344603	/nfs/dbraw/zinc/34/46/03/182344603.db2.gz	IOXNMSRTQGJNDQ-UHFFFAOYSA-N	1	0	356.470	1.945	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NCc1cccc(C#N)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000284108271	182367346	/nfs/dbraw/zinc/36/73/46/182367346.db2.gz	UJSFILXCUOZLIZ-MAUKXSAKSA-N	1	0	368.481	1.944	20	30		FDEDRO
C[NH+](C)CCCC1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)CC1	ZINC000284158256	182383007	/nfs/dbraw/zinc/38/30/07/182383007.db2.gz	XUQRUOBFRWTXRE-UHFFFAOYSA-N	1	0	356.470	1.755	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1C#N	ZINC000285350330	182781901	/nfs/dbraw/zinc/78/19/01/182781901.db2.gz	ATZQWXDDMYCBNO-ZBFHGGJFSA-N	1	0	351.472	1.764	20	30		FDEDRO
CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)c1cc(C#N)ccn1	ZINC000286198945	183012363	/nfs/dbraw/zinc/01/23/63/183012363.db2.gz	RKFBCJAHALDGFL-UHFFFAOYSA-N	1	0	363.465	1.843	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1	ZINC000286624954	183113814	/nfs/dbraw/zinc/11/38/14/183113814.db2.gz	MWHAOFYJTXASOQ-INIZCTEOSA-N	1	0	353.430	1.114	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC1CC[NH+](C2CC2)CC1	ZINC000546612934	542182449	/nfs/dbraw/zinc/18/24/49/542182449.db2.gz	IKOHSJMONOYZLS-UHFFFAOYSA-N	1	0	365.441	2.196	20	30		FDEDRO
CC[N@@H+]1C[C@H](C)N(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C[C@@H]1C	ZINC000546612243	542182558	/nfs/dbraw/zinc/18/25/58/542182558.db2.gz	HLLVGZCKOVNTAU-GJZGRUSLSA-N	1	0	367.457	2.394	20	30		FDEDRO
C[N@H+](CCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)C1CC1	ZINC000287722827	183367014	/nfs/dbraw/zinc/36/70/14/183367014.db2.gz	RODHFJNQLDLUID-UHFFFAOYSA-N	1	0	365.231	1.470	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCC2([NH+](C)C)CCCC2)c1	ZINC000042765568	206661532	/nfs/dbraw/zinc/66/15/32/206661532.db2.gz	VDPRFNNXNKDOSR-UHFFFAOYSA-N	1	0	365.499	1.755	20	30		FDEDRO
CC[NH+](CC)CCNC(=O)N1CCN(c2snc(C)c2C#N)CC1	ZINC000292579831	183918138	/nfs/dbraw/zinc/91/81/38/183918138.db2.gz	VHQHFBOKGVRMOY-UHFFFAOYSA-N	1	0	350.492	1.497	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2ncc(C#N)cc2[N+](=O)[O-])CC1	ZINC000294786002	184009138	/nfs/dbraw/zinc/00/91/38/184009138.db2.gz	AYIMHSKQMAVAKE-GASCZTMLSA-N	1	0	358.446	1.856	20	30		FDEDRO
N#Cc1cc(Br)ccc1C(=O)NCC[NH+]1CCC(O)CC1	ZINC000297123810	184236224	/nfs/dbraw/zinc/23/62/24/184236224.db2.gz	YVENMWZBEDGNIK-UHFFFAOYSA-N	1	0	352.232	1.507	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CCN(C(=O)NCc3ccc4c[nH+]cn4c3)C2)nc1	ZINC000297628475	184298937	/nfs/dbraw/zinc/29/89/37/184298937.db2.gz	UKBQAVFNJJKLFH-KRWDZBQOSA-N	1	0	362.393	1.964	20	30		FDEDRO
CCN(CCC[NH+](C)C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000188880754	177892162	/nfs/dbraw/zinc/89/21/62/177892162.db2.gz	IWAZOWKSISDBSB-AWEZNQCLSA-N	1	0	366.487	1.025	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)C[C@@H]1CCCO1	ZINC000170663271	258264353	/nfs/dbraw/zinc/26/43/53/258264353.db2.gz	DOQXVFOHALMDBJ-KRWDZBQOSA-N	1	0	351.472	1.431	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1cccc(C(N)=O)c1)C(C)C	ZINC000548693732	542755002	/nfs/dbraw/zinc/75/50/02/542755002.db2.gz	CCFKWIPFHARFJM-KRWDZBQOSA-N	1	0	365.499	1.762	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCCN(c3ncccn3)C2)cc1	ZINC000548925275	542808578	/nfs/dbraw/zinc/80/85/78/542808578.db2.gz	CEEQIZSTSYYVCE-ROUUACIJSA-N	1	0	367.453	1.541	20	30		FDEDRO
N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H](n2cc(CO)nn2)C1	ZINC000550226848	543042633	/nfs/dbraw/zinc/04/26/33/543042633.db2.gz	KQBUEKJZWHRHAN-AWEZNQCLSA-N	1	0	360.443	1.369	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1)c1ccc(C#N)cc1	ZINC000550583674	543130738	/nfs/dbraw/zinc/13/07/38/543130738.db2.gz	DDLCTSKNZHAVFB-MXWWQKGMSA-N	1	0	356.470	1.972	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCC[C@@]1(C)CO)C(C)C	ZINC000551220911	543254183	/nfs/dbraw/zinc/25/41/83/543254183.db2.gz	DZLMMNGCQSBEBS-LPHOPBHVSA-N	1	0	351.491	1.175	20	30		FDEDRO
C[NH+](C)C[C@H]1CCCCN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000552450335	543468779	/nfs/dbraw/zinc/46/87/79/543468779.db2.gz	GNUQRBMWFFICTF-QGZVFWFLSA-N	1	0	352.442	1.882	20	30		FDEDRO
C[NH+]1CCC(CCO)(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000553125584	543573661	/nfs/dbraw/zinc/57/36/61/543573661.db2.gz	RMDLTJGRNHAULY-INIZCTEOSA-N	1	0	374.460	1.487	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N2CCC(C#N)CC2)cc1	ZINC000553193489	543584721	/nfs/dbraw/zinc/58/47/21/543584721.db2.gz	CNKDNFWXJACMKI-UHFFFAOYSA-N	1	0	372.469	1.048	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)cc1	ZINC000066893789	172000506	/nfs/dbraw/zinc/00/05/06/172000506.db2.gz	WITOKIJMFZHION-SFHVURJKSA-N	1	0	370.453	1.600	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@H]4CCC[C@@H]43)CC2)o1	ZINC000072693824	172047480	/nfs/dbraw/zinc/04/74/80/172047480.db2.gz	BILTYSFUIGJJCT-WBVHZDCISA-N	1	0	357.458	1.768	20	30		FDEDRO
CC[C@H](CO)[NH+]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000072797350	172050061	/nfs/dbraw/zinc/05/00/61/172050061.db2.gz	VFHHIHNZOFPNPA-MRXNPFEDSA-N	1	0	364.877	1.929	20	30		FDEDRO
N#Cc1ccccc1S(=O)(=O)N1CCN(CC[NH+]2CCCCC2)CC1	ZINC000072953036	172054405	/nfs/dbraw/zinc/05/44/05/172054405.db2.gz	GZVNOWBZWAJDGY-UHFFFAOYSA-N	1	0	362.499	1.350	20	30		FDEDRO
C[NH+](C)CC(C)(C)CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000077924897	172141096	/nfs/dbraw/zinc/14/10/96/172141096.db2.gz	LMHCASRDCQMGRA-UHFFFAOYSA-N	1	0	351.472	1.177	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C	ZINC000081171649	172184672	/nfs/dbraw/zinc/18/46/72/172184672.db2.gz	ROXGVIXTISGGBU-LSDHHAIUSA-N	1	0	356.426	1.591	20	30		FDEDRO
Cc1nc(C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)ccc1C#N	ZINC000089962748	172254462	/nfs/dbraw/zinc/25/44/62/172254462.db2.gz	NOHDJBLRZYNNLG-ZWKOTPCHSA-N	1	0	350.422	1.627	20	30		FDEDRO
CN(CCN(C)S(=O)(=O)c1cccc(C#N)c1)C1CC[NH+](C)CC1	ZINC000097000185	172325999	/nfs/dbraw/zinc/32/59/99/172325999.db2.gz	WREPUNVGOAGIPR-UHFFFAOYSA-N	1	0	350.488	1.205	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000102810478	172355459	/nfs/dbraw/zinc/35/54/59/172355459.db2.gz	UFPLDWQITHDPHW-UHFFFAOYSA-N	1	0	368.384	1.946	20	30		FDEDRO
CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000125984787	173025366	/nfs/dbraw/zinc/02/53/66/173025366.db2.gz	GVJQDOQGBRZZMN-CQSZACIVSA-N	1	0	359.879	1.847	20	30		FDEDRO
N#Cc1ncn(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1C#N	ZINC000126260169	173035398	/nfs/dbraw/zinc/03/53/98/173035398.db2.gz	IEENYXXXFLYJGB-UHFFFAOYSA-N	1	0	366.450	1.814	20	30		FDEDRO
C[NH+](C)C[C@@H]1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000129864065	173152717	/nfs/dbraw/zinc/15/27/17/173152717.db2.gz	SCRCBKTWYJOMIA-INIZCTEOSA-N	1	0	356.474	1.515	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)N2CCCN(c3ncccc3C#N)CC2)C[N@@H+]1C1CC1	ZINC000129987862	173157079	/nfs/dbraw/zinc/15/70/79/173157079.db2.gz	RVBKOWTYSYRAMP-RDJZCZTQSA-N	1	0	368.485	1.800	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNC(=O)NCc2cccc(C#N)c2)ccn1	ZINC000135120785	173338974	/nfs/dbraw/zinc/33/89/74/173338974.db2.gz	RYUYAVNQCUDENL-UHFFFAOYSA-N	1	0	353.426	1.893	20	30		FDEDRO
C[N@H+](CCN1CCN(C(=O)c2cc(C#N)c[nH]2)CC1)Cc1ccccc1	ZINC000175574109	174013201	/nfs/dbraw/zinc/01/32/01/174013201.db2.gz	NBHCYYCNBFMTSJ-UHFFFAOYSA-N	1	0	351.454	1.776	20	30		FDEDRO
CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000175602531	174014711	/nfs/dbraw/zinc/01/47/11/174014711.db2.gz	LZZCWZIYSIQBOH-LJQANCHMSA-N	1	0	371.485	1.395	20	30		FDEDRO
C[NH+](C)CCCOC1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC1	ZINC000176337805	174065510	/nfs/dbraw/zinc/06/55/10/174065510.db2.gz	HIFKNNJOKUKAQF-UHFFFAOYSA-N	1	0	358.442	1.456	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C[N@@H+]1C1CC1	ZINC000177202807	174113723	/nfs/dbraw/zinc/11/37/23/174113723.db2.gz	ZGXVKECRWQEDGA-WFASDCNBSA-N	1	0	350.426	1.681	20	30		FDEDRO
N#Cc1csc(C[NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)c1	ZINC000177703776	174152935	/nfs/dbraw/zinc/15/29/35/174152935.db2.gz	LQSUAKSOKKIZMR-UHFFFAOYSA-N	1	0	369.512	1.683	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1	ZINC000181473649	174228160	/nfs/dbraw/zinc/22/81/60/174228160.db2.gz	LGTAIMJGSMAKSG-SFHVURJKSA-N	1	0	371.462	1.603	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+]CCC(=O)N3CCOCC3)CC2)cc1	ZINC000181595375	174235867	/nfs/dbraw/zinc/23/58/67/174235867.db2.gz	RJGWQXXLTVWNGU-UHFFFAOYSA-N	1	0	356.470	1.361	20	30		FDEDRO
COC(=O)c1cn(C2CC[NH+](Cc3ccc(C#N)cc3OC)CC2)nn1	ZINC000183727148	177594340	/nfs/dbraw/zinc/59/43/40/177594340.db2.gz	PEIVDOWGWSHAFP-UHFFFAOYSA-N	1	0	355.398	1.782	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)O1	ZINC000180359715	258367132	/nfs/dbraw/zinc/36/71/32/258367132.db2.gz	JFPKSSXDGPOKCZ-ROUUACIJSA-N	1	0	367.453	1.684	20	30		FDEDRO
C[NH+](C)C1CCN(CCNC(=O)c2cc(-c3cccc(C#N)c3)no2)CC1	ZINC000279577025	258566142	/nfs/dbraw/zinc/56/61/42/258566142.db2.gz	WJIDFBJBCFQUMN-UHFFFAOYSA-N	1	0	367.453	1.969	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)c2ccc(F)cc2F)CC1	ZINC000553328544	543610041	/nfs/dbraw/zinc/61/00/41/543610041.db2.gz	VWZRBWBJYUYUIP-CYBMUJFWSA-N	1	0	365.424	1.951	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H](OCCCC)C2(C)C)CC1	ZINC000553669357	543678055	/nfs/dbraw/zinc/67/80/55/543678055.db2.gz	COESLIBQNGNIOM-IAGOWNOFSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1	ZINC000554716305	543859138	/nfs/dbraw/zinc/85/91/38/543859138.db2.gz	MAWZLJDRNXSMDJ-UHFFFAOYSA-N	1	0	365.518	1.810	20	30		FDEDRO
CNC(=O)c1ccc(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cc1	ZINC000554797913	543873052	/nfs/dbraw/zinc/87/30/52/543873052.db2.gz	JPYBCVNCZMWJRA-UHFFFAOYSA-N	1	0	357.435	1.481	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]C2CCN(C(=O)c3ccco3)CC2)cc1	ZINC000555564780	543975016	/nfs/dbraw/zinc/97/50/16/543975016.db2.gz	RSIXSBRVZJVPQZ-QGZVFWFLSA-N	1	0	369.421	1.785	20	30		FDEDRO
N#CC1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1	ZINC000555626323	543990889	/nfs/dbraw/zinc/99/08/89/543990889.db2.gz	KWDKOKQTLDCEGE-UHFFFAOYSA-N	1	0	354.454	1.529	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)Nc2sccc2C#N)C1	ZINC000555968727	544066231	/nfs/dbraw/zinc/06/62/31/544066231.db2.gz	CRIIMMJPUXYXRR-AWEZNQCLSA-N	1	0	364.471	1.518	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000555893287	544048400	/nfs/dbraw/zinc/04/84/00/544048400.db2.gz	BPWHSIQVJAOTOY-SJORKVTESA-N	1	0	351.491	1.912	20	30		FDEDRO
C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](O)[C@@H](N(C)CC(=O)OC(C)(C)C)C1	ZINC000556084064	544090893	/nfs/dbraw/zinc/09/08/93/544090893.db2.gz	HDZGTWZJHIIOHD-FHLIZLRMSA-N	1	0	359.470	1.938	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCCO[C@H](CC)C1)C(C)C	ZINC000556207934	544118153	/nfs/dbraw/zinc/11/81/53/544118153.db2.gz	PBHJFRBGEYBUEZ-MSOLQXFVSA-N	1	0	365.518	1.829	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([N@H+]3C[C@H](O)C[C@@H]3[C@@H]3CCCOC3)C2=O)cc1	ZINC000556282797	544126587	/nfs/dbraw/zinc/12/65/87/544126587.db2.gz	JMHFVCUTPHWGEF-RSPOEFSDSA-N	1	0	369.465	1.915	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)NCC[C@H]3CCC[NH2+]C3)n2)c(F)c1	ZINC000557004389	544233044	/nfs/dbraw/zinc/23/30/44/544233044.db2.gz	UWJSZBDWYAPGCR-CYBMUJFWSA-N	1	0	356.405	2.394	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)NC1CCC(N2CC[NH2+]CC2)CC1	ZINC000557253442	544269696	/nfs/dbraw/zinc/26/96/96/544269696.db2.gz	HQGILEKYONZYCG-UHFFFAOYSA-N	1	0	355.486	1.916	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1	ZINC000557135006	544250941	/nfs/dbraw/zinc/25/09/41/544250941.db2.gz	OCSFJYDEROKMFK-BBWFWOEESA-N	1	0	351.491	1.320	20	30		FDEDRO
C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000281889825	258685928	/nfs/dbraw/zinc/68/59/28/258685928.db2.gz	IDTCOUMZCIWEEF-SNVBAGLBSA-N	1	0	372.347	1.852	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1	ZINC000558868696	544544824	/nfs/dbraw/zinc/54/48/24/544544824.db2.gz	DMXPBHYWRXUUSI-UHFFFAOYSA-N	1	0	358.442	1.744	20	30		FDEDRO
CC(C)C(=O)N1CCC([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000558718278	544515319	/nfs/dbraw/zinc/51/53/19/544515319.db2.gz	MLQGFSJMFYGPGA-UHFFFAOYSA-N	1	0	363.483	1.569	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)NC1CC[NH+](CCC)CC1	ZINC000559477256	544700579	/nfs/dbraw/zinc/70/05/79/544700579.db2.gz	UWTOVMRDWCRPPA-UHFFFAOYSA-N	1	0	359.470	1.858	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCO[C@H]2CCCC[C@@H]2C)CC1	ZINC000559821212	544809769	/nfs/dbraw/zinc/80/97/69/544809769.db2.gz	PRNVFKSCFIAIEF-WMZOPIPTSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCCCCNC(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000559772973	544793903	/nfs/dbraw/zinc/79/39/03/544793903.db2.gz	NLSRULYJDKOMTC-IBGZPJMESA-N	1	0	372.513	1.564	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cnc(CC2CC2)nc1	ZINC000560226148	544921382	/nfs/dbraw/zinc/92/13/82/544921382.db2.gz	ZVWBUSJOWMYMSB-UHFFFAOYSA-N	1	0	358.446	1.062	20	30		FDEDRO
N#Cc1cnn(-c2ccc(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)cc2)c1N	ZINC000328842281	259061848	/nfs/dbraw/zinc/06/18/48/259061848.db2.gz	VUQNGLSSZPHSFZ-IRXDYDNUSA-N	1	0	350.426	1.683	20	30		FDEDRO
C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNS(=O)(=O)c2cccnc2C#N)C1	ZINC000331191377	259180704	/nfs/dbraw/zinc/18/07/04/259180704.db2.gz	VKJHMJWQIMLXRA-OKILXGFUSA-N	1	0	350.488	1.988	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@H]2C[NH2+]C[C@H]21	ZINC000331820790	259221967	/nfs/dbraw/zinc/22/19/67/259221967.db2.gz	OQXIDRVAUNYBKV-GXFFZTMASA-N	1	0	370.272	1.693	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)cc1	ZINC000333467882	259350931	/nfs/dbraw/zinc/35/09/31/259350931.db2.gz	AKRZYZWDYRAIAE-LJQANCHMSA-N	1	0	355.486	1.918	20	30		FDEDRO
N#Cc1c(C#N)c(N2CC[C@@H](N3CC[NH2+]CC3)C2)nc2c1CCCCCC2	ZINC000333481404	259352893	/nfs/dbraw/zinc/35/28/93/259352893.db2.gz	FOUVJGLKAZDURV-MRXNPFEDSA-N	1	0	364.497	1.968	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3C[C@@H]4CC[NH2+]C[C@H]4C3)C2=O)cc1	ZINC000333490054	259353411	/nfs/dbraw/zinc/35/34/11/259353411.db2.gz	CHVNQAXFWWCWRT-BQFCYCMXSA-N	1	0	367.453	1.305	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)C2=O)cc1	ZINC000333530893	259357066	/nfs/dbraw/zinc/35/70/66/259357066.db2.gz	HXUFNDLWVXJDQR-OIISXLGYSA-N	1	0	353.426	1.057	20	30		FDEDRO
CC1(C)CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC[NH2+]1	ZINC000333611717	259363245	/nfs/dbraw/zinc/36/32/45/259363245.db2.gz	QQFZOZUSAPXERS-INIZCTEOSA-N	1	0	355.442	1.053	20	30		FDEDRO
Cc1cc(S(=O)(=O)NC2CCC(N3CC[NH2+]CC3)CC2)ccc1C#N	ZINC000333630106	259364872	/nfs/dbraw/zinc/36/48/72/259364872.db2.gz	ATIYAHPTDXHDHF-UHFFFAOYSA-N	1	0	362.499	1.361	20	30		FDEDRO
N#Cc1cnc2ccccc2c1N1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)CC1	ZINC000333643057	259366038	/nfs/dbraw/zinc/36/60/38/259366038.db2.gz	IPQMJEPZIHVWOE-MRXNPFEDSA-N	1	0	364.453	1.690	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1	ZINC000333920074	259394143	/nfs/dbraw/zinc/39/41/43/259394143.db2.gz	PQBXVKOIWVCNNS-IXDOHACOSA-N	1	0	354.458	1.173	20	30		FDEDRO
N#Cc1cccc(CS(=O)(=O)N2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)c1	ZINC000366653420	259956585	/nfs/dbraw/zinc/95/65/85/259956585.db2.gz	MYAJUAUFALWCRN-QZTJIDSGSA-N	1	0	363.483	1.309	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CCN2CC[C@@H](C[NH+]3CCCCC3)C2)nc1	ZINC000367306915	260023853	/nfs/dbraw/zinc/02/38/53/260023853.db2.gz	BNURCRKADQWBKD-KRWDZBQOSA-N	1	0	362.499	1.535	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCC(=O)N[C@H]3C3CC3)C2=O)cc1	ZINC000367375095	260032064	/nfs/dbraw/zinc/03/20/64/260032064.db2.gz	PLDSZBDUWNDODA-LNLFQRSKSA-N	1	0	352.438	1.700	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)n1	ZINC000367426364	260039487	/nfs/dbraw/zinc/03/94/87/260039487.db2.gz	NTGNETRPSSTMKN-OAHLLOKOSA-N	1	0	356.405	1.317	20	30		FDEDRO
N#Cc1ncn(CC[NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1	ZINC000367527627	260055432	/nfs/dbraw/zinc/05/54/32/260055432.db2.gz	QNHVQPUUZMZWEE-UHFFFAOYSA-N	1	0	358.833	1.698	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1	ZINC000367536007	260057371	/nfs/dbraw/zinc/05/73/71/260057371.db2.gz	OKDBHBLAAAFAOM-MRXNPFEDSA-N	1	0	355.486	1.868	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCc2nncn2C1	ZINC000368067640	260131221	/nfs/dbraw/zinc/13/12/21/260131221.db2.gz	ZMLRYXOWVHQQDI-QGZVFWFLSA-N	1	0	352.442	1.303	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)s2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000368541208	260199012	/nfs/dbraw/zinc/19/90/12/260199012.db2.gz	XLIKQTYCUSZFMM-ZFWWWQNUSA-N	1	0	368.528	1.266	20	30		FDEDRO
CN1CC[C@@H](NC(=O)NCCn2cnc(C#N)n2)[C@@H]1c1ccc(Cl)cc1	ZINC000368626776	260211731	/nfs/dbraw/zinc/21/17/31/260211731.db2.gz	VLRSKMLBWURCDV-ZBFHGGJFSA-N	1	0	373.848	1.548	20	30		FDEDRO
C[C@@H](CO)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000368951789	260265656	/nfs/dbraw/zinc/26/56/56/260265656.db2.gz	RYSUCZBHUXOLQG-LBPRGKRZSA-N	1	0	364.833	1.065	20	30		FDEDRO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[N@@H+]([C@@H](C)CO)CC1	ZINC000368972548	260269682	/nfs/dbraw/zinc/26/96/82/260269682.db2.gz	FUAKXNFJJZOCFR-UONOGXRCSA-N	1	0	364.877	1.927	20	30		FDEDRO
N#Cc1ncn(C2CC[NH+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)n1	ZINC000369387685	260353897	/nfs/dbraw/zinc/35/38/97/260353897.db2.gz	CRZAHLWCHXBSQL-HNNXBMFYSA-N	1	0	372.385	1.135	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000370837653	260610832	/nfs/dbraw/zinc/61/08/32/260610832.db2.gz	CZQHQDFODAKKPR-APWZRJJASA-N	1	0	370.497	1.952	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C	ZINC000373339893	261002539	/nfs/dbraw/zinc/00/25/39/261002539.db2.gz	ICQBRQXZFOPDGC-AWEZNQCLSA-N	1	0	370.453	1.517	20	30		FDEDRO
Cc1cccc(NC[C@@H]2CCN(c3cc(S(N)(=O)=O)ccc3C#N)C2)[nH+]1	ZINC000373374019	261004672	/nfs/dbraw/zinc/00/46/72/261004672.db2.gz	VYRATDINDFPGHA-AWEZNQCLSA-N	1	0	371.466	1.848	20	30		FDEDRO
C[C@H](C(=O)N1CCc2ccccc21)[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000373401238	261007534	/nfs/dbraw/zinc/00/75/34/261007534.db2.gz	WHNNALVDADANEB-CQSZACIVSA-N	1	0	350.426	1.764	20	30		FDEDRO
N#Cc1cccc(Cl)c1N1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1	ZINC000373794275	261041470	/nfs/dbraw/zinc/04/14/70/261041470.db2.gz	CELMXMFGDMIMHM-AWEZNQCLSA-N	1	0	353.875	1.957	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)s1	ZINC000373844356	261046355	/nfs/dbraw/zinc/04/63/55/261046355.db2.gz	JGVIHUUPWIMFLX-STQMWFEESA-N	1	0	355.485	1.230	20	30		FDEDRO
COCCC[N@@H+]1CCCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1	ZINC000374225658	261096638	/nfs/dbraw/zinc/09/66/38/261096638.db2.gz	RAYHPIFNERFXCT-UHFFFAOYSA-N	1	0	367.453	1.928	20	30		FDEDRO
CN(C)c1noc([C@H]2CCC[N@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)n1	ZINC000374532763	261148854	/nfs/dbraw/zinc/14/88/54/261148854.db2.gz	ZYSDCWYTQLXSQA-HOTGVXAUSA-N	1	0	371.441	1.627	20	30		FDEDRO
COC(=O)c1cn([C@H]2CCC[N@H+](CCOc3ccccc3C#N)C2)nn1	ZINC000375153879	261277652	/nfs/dbraw/zinc/27/76/52/261277652.db2.gz	QSBRHPUUWYESRM-HNNXBMFYSA-N	1	0	355.398	1.652	20	30		FDEDRO
CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1	ZINC000375483456	261349871	/nfs/dbraw/zinc/34/98/71/261349871.db2.gz	VZPULRZOUOPHBI-LZQZEXGQSA-N	1	0	368.481	1.894	20	30		FDEDRO
CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc(C#N)cn2)CC1	ZINC000375537735	261366036	/nfs/dbraw/zinc/36/60/36/261366036.db2.gz	SFFPRHJZBIMPJK-SJORKVTESA-N	1	0	362.499	1.867	20	30		FDEDRO
C[C@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1=O)c1ccc(C#N)cc1	ZINC000378576993	262048906	/nfs/dbraw/zinc/04/89/06/262048906.db2.gz	IOSLHQSOWCXFJT-LPHOPBHVSA-N	1	0	356.470	1.532	20	30		FDEDRO
C[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)n1cnc(C#N)n1	ZINC000409600259	262128699	/nfs/dbraw/zinc/12/86/99/262128699.db2.gz	IBIQWTAETNRGTP-KBPBESRZSA-N	1	0	358.471	1.801	20	30		FDEDRO
C[C@H](C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)n1cnc(C#N)n1	ZINC000409668235	262132355	/nfs/dbraw/zinc/13/23/55/262132355.db2.gz	JEMXFTNRMFFPEG-OAHLLOKOSA-N	1	0	374.489	1.641	20	30		FDEDRO
C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)n1cnc(C#N)n1	ZINC000409851970	262141991	/nfs/dbraw/zinc/14/19/91/262141991.db2.gz	XVAMJQNJXZPOLN-GFCCVEGCSA-N	1	0	362.384	1.579	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)n1	ZINC000484815087	490469727	/nfs/dbraw/zinc/46/97/27/490469727.db2.gz	YQRSIWGZKWJKDU-UHFFFAOYSA-N	1	0	360.462	1.512	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(Cl)cn2C)C[C@H]1C	ZINC001104401318	782142824	/nfs/dbraw/zinc/14/28/24/782142824.db2.gz	DIGDQBNXZLNJSV-ZIAGYGMSSA-N	1	0	364.877	1.116	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C(=O)NCc2ccccc2)CC1	ZINC000024742761	519012576	/nfs/dbraw/zinc/01/25/76/519012576.db2.gz	GXPOCQGPGKSSOT-HNNXBMFYSA-N	1	0	372.469	1.415	20	30		FDEDRO
CC(C)(C)C(=O)NCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000028690870	519245435	/nfs/dbraw/zinc/24/54/35/519245435.db2.gz	ZVTZDFIHEQMHIS-UHFFFAOYSA-N	1	0	356.470	1.755	20	30		FDEDRO
CC[NH+](CC)[C@@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)Cc1ccccc1	ZINC000031653542	519452388	/nfs/dbraw/zinc/45/23/88/519452388.db2.gz	UPYZOFOUMHYDQP-MRXNPFEDSA-N	1	0	369.469	1.321	20	30		FDEDRO
CC[NH+]1CCN(CCCNC(=O)CCc2c(C)nn(CCC#N)c2C)CC1	ZINC000041442184	519656521	/nfs/dbraw/zinc/65/65/21/519656521.db2.gz	ICOIHSXIVBMEFL-UHFFFAOYSA-N	1	0	374.533	1.490	20	30		FDEDRO
N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1	ZINC000041897529	519671275	/nfs/dbraw/zinc/67/12/75/519671275.db2.gz	HSHQVNTXNKZIHD-KRWDZBQOSA-N	1	0	370.453	1.458	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc1OC	ZINC000042741922	521771457	/nfs/dbraw/zinc/77/14/57/521771457.db2.gz	BVEKPCWTXDOYPL-UHFFFAOYSA-N	1	0	361.442	1.106	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)C[NH+]1CCCCC1	ZINC000057043591	521986278	/nfs/dbraw/zinc/98/62/78/521986278.db2.gz	DRGQVSDLEOLYSD-QGZVFWFLSA-N	1	0	370.501	1.907	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1	ZINC000057065914	521995403	/nfs/dbraw/zinc/99/54/03/521995403.db2.gz	JIRXBFVGIYVWOU-QGZVFWFLSA-N	1	0	370.497	1.812	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)CC1	ZINC000057175699	522023230	/nfs/dbraw/zinc/02/32/30/522023230.db2.gz	HPRPLFMLTBPIPL-SFHVURJKSA-N	1	0	368.481	1.912	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNC(=O)CCc2c(C)nn(CCC#N)c2C)CC1	ZINC000046946203	522395235	/nfs/dbraw/zinc/39/52/35/522395235.db2.gz	ASHQLJUPJJNBFO-MRXNPFEDSA-N	1	0	374.533	1.488	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(CNC(C)=O)cc2)CC1	ZINC000072851510	522407936	/nfs/dbraw/zinc/40/79/36/522407936.db2.gz	IWKBTKXREBZVFG-UHFFFAOYSA-N	1	0	372.469	1.418	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1	ZINC000046993338	522416959	/nfs/dbraw/zinc/41/69/59/522416959.db2.gz	CGQBJJIFNIHSCY-DLBZAZTESA-N	1	0	363.483	1.508	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1	ZINC000072904609	522425169	/nfs/dbraw/zinc/42/51/69/522425169.db2.gz	YTNPQAFHKUMAEB-INIZCTEOSA-N	1	0	374.485	1.269	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(C)cc1)NCC1CCN(S(C)(=O)=O)CC1	ZINC000073607720	522560995	/nfs/dbraw/zinc/56/09/95/522560995.db2.gz	LTPJBIWIRWDLLU-UHFFFAOYSA-N	1	0	366.531	1.722	20	30		FDEDRO
CC[NH+]=C(NCc1cccs1)NCC1CCN(S(C)(=O)=O)CC1	ZINC000073656914	522577976	/nfs/dbraw/zinc/57/79/76/522577976.db2.gz	HZWAXNBQVDYKQB-UHFFFAOYSA-N	1	0	358.533	1.475	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)CN1C(=O)NC(C)(C)C1=O)C(C)C	ZINC000073806542	522611951	/nfs/dbraw/zinc/61/19/51/522611951.db2.gz	JAAZYVNOOCIKBW-AWEZNQCLSA-N	1	0	350.463	1.132	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@H]2CN2CCOCC2)CC1	ZINC000074130169	522688841	/nfs/dbraw/zinc/68/88/41/522688841.db2.gz	OSIHMHDQKULNSN-IBGZPJMESA-N	1	0	364.534	1.923	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000074491407	522784234	/nfs/dbraw/zinc/78/42/34/522784234.db2.gz	JJPJJMWUYFVSGO-LJQANCHMSA-N	1	0	355.486	1.870	20	30		FDEDRO
CC(=O)N1CCC(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)CC1	ZINC000065930087	522922774	/nfs/dbraw/zinc/92/27/74/522922774.db2.gz	FABBTMGHPXBLOR-UHFFFAOYSA-N	1	0	356.470	1.707	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1	ZINC000066222863	522989373	/nfs/dbraw/zinc/98/93/73/522989373.db2.gz	SPAQWBFZFMSPIS-OAHLLOKOSA-N	1	0	356.426	1.592	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000066240450	522994254	/nfs/dbraw/zinc/99/42/54/522994254.db2.gz	NKKWLNAZAKWCCH-AWEZNQCLSA-N	1	0	352.442	1.930	20	30		FDEDRO
C[NH+](C)CCn1ccc(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)n1	ZINC000066241616	522997997	/nfs/dbraw/zinc/99/79/97/522997997.db2.gz	SQMODCHVUAGZHE-UHFFFAOYSA-N	1	0	364.413	1.337	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1	ZINC000076673044	523167676	/nfs/dbraw/zinc/16/76/76/523167676.db2.gz	KLMNAJXTVRSAHU-AWEZNQCLSA-N	1	0	361.417	1.576	20	30		FDEDRO
C[C@H]1CCC[N@H+](CCNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000052524803	523191658	/nfs/dbraw/zinc/19/16/58/523191658.db2.gz	ZFKPPAALYPPCSL-INIZCTEOSA-N	1	0	356.474	1.517	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)cc1	ZINC000052646528	523225055	/nfs/dbraw/zinc/22/50/55/523225055.db2.gz	BNIDAVJFGPBLQX-UHFFFAOYSA-N	1	0	372.469	1.530	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1	ZINC000077039718	523241395	/nfs/dbraw/zinc/24/13/95/523241395.db2.gz	DULRAIQVLLCQLZ-SFHVURJKSA-N	1	0	368.481	1.572	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1	ZINC000052730862	523257493	/nfs/dbraw/zinc/25/74/93/523257493.db2.gz	JGGBDWJKJJDHPD-OAHLLOKOSA-N	1	0	372.469	1.389	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1c(C#N)nnc2ccccc21	ZINC000077215108	523267533	/nfs/dbraw/zinc/26/75/33/523267533.db2.gz	CGZLLFQHMPTYME-KRWDZBQOSA-N	1	0	352.442	1.856	20	30		FDEDRO
COc1cc(C[NH2+]Cc2cccc(C#N)c2)cc(OC)c1OCC(N)=O	ZINC000066971978	523288045	/nfs/dbraw/zinc/28/80/45/523288045.db2.gz	IIWQCXKCFNMGTL-UHFFFAOYSA-N	1	0	355.394	1.729	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1	ZINC000067367079	523407674	/nfs/dbraw/zinc/40/76/74/523407674.db2.gz	VLMAKQXHMXWSMD-UHFFFAOYSA-N	1	0	366.421	1.934	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000077665982	523409019	/nfs/dbraw/zinc/40/90/19/523409019.db2.gz	WQDQEWIDJZBXPS-KRWDZBQOSA-N	1	0	371.481	1.999	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1ncn(Cc2ccccc2)n1)[NH+]1CCCC1	ZINC000077697139	523419454	/nfs/dbraw/zinc/41/94/54/523419454.db2.gz	YPVSTHWUHAROCP-CQSZACIVSA-N	1	0	356.430	1.515	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n(C)n1	ZINC000077720875	523430533	/nfs/dbraw/zinc/43/05/33/523430533.db2.gz	BMYYLBSETOOBMA-UHFFFAOYSA-N	1	0	368.441	1.129	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1cccc(OCC#N)c1)[NH+]1CCC(C)CC1	ZINC000067764059	523575602	/nfs/dbraw/zinc/57/56/02/523575602.db2.gz	CNTRRQXVZDRLJC-OAHLLOKOSA-N	1	0	358.442	1.764	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(C(=O)N3CCCC3)CC2)cc1	ZINC000054171874	523588159	/nfs/dbraw/zinc/58/81/59/523588159.db2.gz	PFSGUENEXUBYOE-LJQANCHMSA-N	1	0	371.481	1.827	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1	ZINC000054205046	523592084	/nfs/dbraw/zinc/59/20/84/523592084.db2.gz	ZDLJBCXSWHZIKU-GJZGRUSLSA-N	1	0	373.457	1.441	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[N@@H+](C(C)C)CC2)c1	ZINC000068800986	523863204	/nfs/dbraw/zinc/86/32/04/523863204.db2.gz	UWZOENXPRXHWDR-UHFFFAOYSA-N	1	0	365.499	1.707	20	30		FDEDRO
C[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(C)(C)C[NH+](C)C	ZINC000081731755	524173661	/nfs/dbraw/zinc/17/36/61/524173661.db2.gz	UVFHFDNKVHQBQT-AWEZNQCLSA-N	1	0	365.499	1.566	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)NC)oc2C)CC1	ZINC000081751186	524176032	/nfs/dbraw/zinc/17/60/32/524176032.db2.gz	KRJRONROCGOHML-UHFFFAOYSA-N	1	0	355.460	1.266	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H](Cc2ccccc2)n2nnnc2C)CC1	ZINC000172380241	524213002	/nfs/dbraw/zinc/21/30/02/524213002.db2.gz	ZGUBFYGOSOJVLB-GOSISDBHSA-N	1	0	354.458	1.532	20	30		FDEDRO
C[NH+]=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)N[C@H]1C[C@@H]1C	ZINC000083906015	524279063	/nfs/dbraw/zinc/27/90/63/524279063.db2.gz	FHXCEYFZGPKCOK-YOEHRIQHSA-N	1	0	364.515	1.661	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccc(F)c(S(=O)(=O)NC)c2)CC1	ZINC000084188101	524289029	/nfs/dbraw/zinc/28/90/29/524289029.db2.gz	NQASRBVWYRSLGZ-UHFFFAOYSA-N	1	0	355.435	1.114	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC	ZINC000121559143	524292233	/nfs/dbraw/zinc/29/22/33/524292233.db2.gz	SBVUDQMMZQXDOJ-UHFFFAOYSA-N	1	0	360.458	1.420	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)c2cc(C#N)cs2)CC1	ZINC000084258129	524297744	/nfs/dbraw/zinc/29/77/44/524297744.db2.gz	USMPVGOVCRXOLZ-UHFFFAOYSA-N	1	0	362.499	1.976	20	30		FDEDRO
C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)Nc2cccc(C#N)c2)C[C@H](C)O1	ZINC000121649058	524318311	/nfs/dbraw/zinc/31/83/11/524318311.db2.gz	HSSLEFWPTLBHJC-DAYGRLMNSA-N	1	0	370.453	1.597	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)Nc2ccn(CCC#N)n2)CC1	ZINC000173335866	524370898	/nfs/dbraw/zinc/37/08/98/524370898.db2.gz	FCLVJURGPSTUOR-UHFFFAOYSA-N	1	0	368.445	1.265	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)Nc3ccn(CCC#N)n3)cn2)CC1	ZINC000173376938	524377575	/nfs/dbraw/zinc/37/75/75/524377575.db2.gz	BOERMXKCXCRXFU-UHFFFAOYSA-N	1	0	368.445	1.265	20	30		FDEDRO
CC1CCC([NH+]2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)CC1	ZINC000086461006	524396720	/nfs/dbraw/zinc/39/67/20/524396720.db2.gz	CKYDYECWLDIXPU-UHFFFAOYSA-N	1	0	372.473	1.458	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc([S@@](C)=O)c1	ZINC000122082686	524447073	/nfs/dbraw/zinc/44/70/73/524447073.db2.gz	VKNJPWJQIJBZQM-VWLOTQADSA-N	1	0	364.471	1.056	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(C(F)(F)F)nc1	ZINC000122087548	524447883	/nfs/dbraw/zinc/44/78/83/524447883.db2.gz	IDJOPNCWWPZNBI-UHFFFAOYSA-N	1	0	371.363	1.733	20	30		FDEDRO
COc1c(Cl)cccc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000122093863	524448467	/nfs/dbraw/zinc/44/84/67/524448467.db2.gz	NMBUPUOVINUWAB-UHFFFAOYSA-N	1	0	366.849	1.981	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1	ZINC000122116840	524454721	/nfs/dbraw/zinc/45/47/21/524454721.db2.gz	WWKVZLOXJULZRN-INIZCTEOSA-N	1	0	359.405	1.468	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CCN(c3ccccc3F)C2=O)CC1	ZINC000112326267	524460391	/nfs/dbraw/zinc/46/03/91/524460391.db2.gz	LTQGKSDJKURWAS-SFHVURJKSA-N	1	0	357.429	1.735	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1	ZINC000089313524	524488772	/nfs/dbraw/zinc/48/87/72/524488772.db2.gz	URGAXFNLEBUTNU-SFHVURJKSA-N	1	0	353.466	1.497	20	30		FDEDRO
C#CCNC(=O)c1ccc(N2CCC(OCC[NH+]3CCCC3)CC2)nc1	ZINC000173998724	524501256	/nfs/dbraw/zinc/50/12/56/524501256.db2.gz	GCWFJPJRKMPPOJ-UHFFFAOYSA-N	1	0	356.470	1.526	20	30		FDEDRO
C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C[C@@H]1C	ZINC000122431912	524535011	/nfs/dbraw/zinc/53/50/11/524535011.db2.gz	FSKWEVOGUUSGQC-NWDGAFQWSA-N	1	0	357.863	1.287	20	30		FDEDRO
C[C@H](C(=O)NCc1ccccc1F)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000089943808	524557228	/nfs/dbraw/zinc/55/72/28/524557228.db2.gz	QKLSBZAKPGYRTB-GFCCVEGCSA-N	1	0	358.421	1.572	20	30		FDEDRO
C=CCCOCC[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000090883922	524615473	/nfs/dbraw/zinc/61/54/73/524615473.db2.gz	KBRZYHQEVIEGPL-MRXNPFEDSA-N	1	0	368.499	1.951	20	30		FDEDRO
N#Cc1ccccc1OCC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1	ZINC000159310464	524638480	/nfs/dbraw/zinc/63/84/80/524638480.db2.gz	ZZWMJLJEILCQTI-LJQANCHMSA-N	1	0	365.433	1.472	20	30		FDEDRO
C[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1	ZINC000122926375	524644878	/nfs/dbraw/zinc/64/48/78/524644878.db2.gz	VUVKQAVNHGBBPE-AWEZNQCLSA-N	1	0	357.458	1.574	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)n1	ZINC000091209693	524662259	/nfs/dbraw/zinc/66/22/59/524662259.db2.gz	WWLVWHBDKZPSAA-AWEZNQCLSA-N	1	0	374.489	1.901	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1	ZINC000091221536	524667425	/nfs/dbraw/zinc/66/74/25/524667425.db2.gz	LKGLAILMRKDMCV-UHFFFAOYSA-N	1	0	372.473	1.605	20	30		FDEDRO
COc1ccccc1N1CC[C@H]([NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)C1	ZINC000151859084	524707289	/nfs/dbraw/zinc/70/72/89/524707289.db2.gz	NWNIMROLPMZWNP-LPHOPBHVSA-N	1	0	350.422	1.962	20	30		FDEDRO
CO[C@]1(C)C[C@@H]([N@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1(C)C	ZINC000091588147	524734119	/nfs/dbraw/zinc/73/41/19/524734119.db2.gz	WISQKQYSWKUZFQ-MBOZVWFJSA-N	1	0	364.534	1.814	20	30		FDEDRO
CCC[N@@H+](CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C[C@@H]1CCCCO1	ZINC000091619084	524740473	/nfs/dbraw/zinc/74/04/73/524740473.db2.gz	QMYIMSSGSIXQRB-OALUTQOASA-N	1	0	364.534	1.960	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@]2(CO)CCc3ccccc32)CC1	ZINC000091631744	524748408	/nfs/dbraw/zinc/74/84/08/524748408.db2.gz	UHBIRJKFXFVYII-CTNGQTDRSA-N	1	0	370.497	1.102	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)CSc2nc(N)c(C#N)cc2C#N)CC1	ZINC000114218068	524761433	/nfs/dbraw/zinc/76/14/33/524761433.db2.gz	FNGKUGSBZJDFFJ-UHFFFAOYSA-N	1	0	358.471	1.488	20	30		FDEDRO
C#CCSCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1	ZINC000123498742	524762303	/nfs/dbraw/zinc/76/23/03/524762303.db2.gz	RBTFXWQRDPNRMC-UHFFFAOYSA-N	1	0	359.495	1.746	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)CC1	ZINC000174884563	524778732	/nfs/dbraw/zinc/77/87/32/524778732.db2.gz	VXZHFUWPBSZKFM-UHFFFAOYSA-N	1	0	355.486	1.524	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)cc1	ZINC000092530420	524893197	/nfs/dbraw/zinc/89/31/97/524893197.db2.gz	ZKTGOQNXPMSLAW-UHFFFAOYSA-N	1	0	364.515	1.892	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccnc(OCC[NH+](C)C)c1	ZINC000124161372	524918046	/nfs/dbraw/zinc/91/80/46/524918046.db2.gz	OFRFTJXFOISOJC-HNNXBMFYSA-N	1	0	368.437	1.977	20	30		FDEDRO
[NH2+]=C(NC[C@H](O)CN1CCOCC1)Nc1ccccc1OC(F)(F)F	ZINC000160614041	524929249	/nfs/dbraw/zinc/92/92/49/524929249.db2.gz	LVIGWXFJEWWKBZ-NSHDSACASA-N	1	0	362.352	1.005	20	30		FDEDRO
C[NH+](C)CCCOC1CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1	ZINC000175304111	524936897	/nfs/dbraw/zinc/93/68/97/524936897.db2.gz	QKMDELYELKPVQY-UHFFFAOYSA-N	1	0	365.499	1.821	20	30		FDEDRO
[NH2+]=C(NCC(=O)NCC(F)(F)F)Nc1ccccc1OC(F)(F)F	ZINC000160683063	524946895	/nfs/dbraw/zinc/94/68/95/524946895.db2.gz	GWBPUEKIDUJOPN-UHFFFAOYSA-N	1	0	358.242	1.990	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)c1	ZINC000175349320	524950340	/nfs/dbraw/zinc/95/03/40/524950340.db2.gz	NIHQJGWOGNJRAF-UHFFFAOYSA-N	1	0	351.410	1.836	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[N@@H+]1C1CC1	ZINC000124383888	524971857	/nfs/dbraw/zinc/97/18/57/524971857.db2.gz	NHEGCFHLLPNJJN-WMLDXEAASA-N	1	0	368.485	1.846	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1	ZINC000093261433	524975063	/nfs/dbraw/zinc/97/50/63/524975063.db2.gz	RWXZNPXUQJCSLU-OAHLLOKOSA-N	1	0	374.485	1.837	20	30		FDEDRO
CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000160956750	525004866	/nfs/dbraw/zinc/00/48/66/525004866.db2.gz	WVXRSYAFIUHUSO-QGZVFWFLSA-N	1	0	357.454	1.896	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(F)cc2C#N)C1	ZINC000175942470	525032191	/nfs/dbraw/zinc/03/21/91/525032191.db2.gz	FMQJPPRXRGYLKA-OAHLLOKOSA-N	1	0	362.405	1.109	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)CN1CCC[N@@H+](Cc2ccc(F)cc2)CC1	ZINC000115728809	525052566	/nfs/dbraw/zinc/05/25/66/525052566.db2.gz	CIMKRMUWHKZGIU-UHFFFAOYSA-N	1	0	371.460	1.989	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1	ZINC000161464587	525114348	/nfs/dbraw/zinc/11/43/48/525114348.db2.gz	PGIJBEOORJYSDX-OAHLLOKOSA-N	1	0	365.499	1.580	20	30		FDEDRO
N#Cc1cccc(CS(=O)(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c1	ZINC000161741304	525161686	/nfs/dbraw/zinc/16/16/86/525161686.db2.gz	WHIVDWIAVIDHJV-QGZVFWFLSA-N	1	0	351.472	1.215	20	30		FDEDRO
COc1ccccc1NC(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000125490227	525207320	/nfs/dbraw/zinc/20/73/20/525207320.db2.gz	CWUWOZIZWMSFOT-LBPRGKRZSA-N	1	0	356.430	1.764	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])s1	ZINC000176971420	525209214	/nfs/dbraw/zinc/20/92/14/525209214.db2.gz	DPVTVLPQRJIBDQ-UHFFFAOYSA-N	1	0	366.424	1.596	20	30		FDEDRO
Cn1cc(S(=O)(=O)N2CCC([NH2+]Cc3ccc(C#N)s3)CC2)cn1	ZINC000176974883	525210427	/nfs/dbraw/zinc/21/04/27/525210427.db2.gz	PSJFNPFTXLZKBB-UHFFFAOYSA-N	1	0	365.484	1.296	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)NC2CC[NH+](CCOC(C)C)CC2)c1	ZINC000177107079	525240463	/nfs/dbraw/zinc/24/04/63/525240463.db2.gz	PCPRUJYXGZAVOM-UHFFFAOYSA-N	1	0	357.454	1.612	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1	ZINC000126103299	525273494	/nfs/dbraw/zinc/27/34/94/525273494.db2.gz	FYUPIBGHTWSZIS-PBHICJAKSA-N	1	0	365.499	1.563	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@@H]4CCCC[C@@H]4C3)CC2)o1	ZINC000177533016	525306261	/nfs/dbraw/zinc/30/62/61/525306261.db2.gz	ULKPTGCJNBJKIO-IYBDPMFKSA-N	1	0	357.458	1.625	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@@H]3CCC[C@@H](C)[C@@H]3C)CC2)o1	ZINC000163053876	525356148	/nfs/dbraw/zinc/35/61/48/525356148.db2.gz	PVFPDTVIBBHLCS-IJEWVQPXSA-N	1	0	359.474	1.918	20	30		FDEDRO
C=CC[C@@H](C)[C@@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1	ZINC000127167222	525391772	/nfs/dbraw/zinc/39/17/72/525391772.db2.gz	DLBWAPMNNFISIC-IAGOWNOFSA-N	1	0	366.531	1.724	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](O)c2ccc(F)cc2)CC1	ZINC000104168793	525397372	/nfs/dbraw/zinc/39/73/72/525397372.db2.gz	FZZVCGZGEPLYEJ-OAHLLOKOSA-N	1	0	352.410	1.384	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](c2cccs2)N(C)C)CC1	ZINC000104154769	525398111	/nfs/dbraw/zinc/39/81/11/525398111.db2.gz	WVOZLJXNJYIUGZ-CQSZACIVSA-N	1	0	367.519	1.876	20	30		FDEDRO
CN(C)C(=[NH+]Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)N(C)C	ZINC000104175630	525398186	/nfs/dbraw/zinc/39/81/86/525398186.db2.gz	CNWOPLFQRIKERK-HNNXBMFYSA-N	1	0	368.503	1.123	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3oc(N(C)C)nc3c2)CC1	ZINC000178319053	525413394	/nfs/dbraw/zinc/41/33/94/525413394.db2.gz	RQWDUTKPZKSVJE-UHFFFAOYSA-N	1	0	371.441	1.599	20	30		FDEDRO
COCCNS(=O)(=O)c1cccc(C[NH2+]Cc2cccc(C#N)c2)c1	ZINC000117950948	525414409	/nfs/dbraw/zinc/41/44/09/525414409.db2.gz	SLRSVPNHBWEXNT-UHFFFAOYSA-N	1	0	359.451	1.773	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)cc1	ZINC000117947562	525414916	/nfs/dbraw/zinc/41/49/16/525414916.db2.gz	SHLJXPPPXROIMV-SFHVURJKSA-N	1	0	352.442	1.665	20	30		FDEDRO
C[C@H](C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)[NH+]1CCCCCC1	ZINC000163547575	525422804	/nfs/dbraw/zinc/42/28/04/525422804.db2.gz	IGXUARDAUDCQPP-HZPDHXFCSA-N	1	0	356.474	1.650	20	30		FDEDRO
N#Cc1cccc(OC2CC[NH+](CCn3nc4ccccn4c3=O)CC2)c1	ZINC000104712891	525426616	/nfs/dbraw/zinc/42/66/16/525426616.db2.gz	WYJICIKTHIWTLD-UHFFFAOYSA-N	1	0	363.421	1.911	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1cccc(OCCCC#N)c1)[N@H+](C)C1CC1	ZINC000118129858	525479198	/nfs/dbraw/zinc/47/91/98/525479198.db2.gz	PKQOWSHCDFDTCX-CQSZACIVSA-N	1	0	358.442	1.907	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1	ZINC000178905652	525502015	/nfs/dbraw/zinc/50/20/15/525502015.db2.gz	PEBHGFLXCLFUDB-AEFFLSMTSA-N	1	0	372.469	1.000	20	30		FDEDRO
C[NH+]=C(NCc1cccc2c1OCO2)N1CCN(C[C@H]2CCOC2)CC1	ZINC000179080021	525529884	/nfs/dbraw/zinc/52/98/84/525529884.db2.gz	UEPWCYCIXCHROF-OAHLLOKOSA-N	1	0	360.458	1.145	20	30		FDEDRO
C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000154527743	525561284	/nfs/dbraw/zinc/56/12/84/525561284.db2.gz	GZFQTYRMRSDZHF-ROUUACIJSA-N	1	0	369.513	1.987	20	30		FDEDRO
C[C@@H]1C[NH+](CCC2CCN(S(=O)(=O)CC3(C#N)CC3)CC2)C[C@@H](C)O1	ZINC000165885939	525564664	/nfs/dbraw/zinc/56/46/64/525564664.db2.gz	NOYJLXDQYISVNV-HZPDHXFCSA-N	1	0	369.531	1.831	20	30		FDEDRO
C[C@@H](O)C[N@@H+]1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C	ZINC000106100991	525584824	/nfs/dbraw/zinc/58/48/24/525584824.db2.gz	HGPLBSODWUEJAH-QWHCGFSZSA-N	1	0	350.850	1.537	20	30		FDEDRO
C=CCC[C@H]([NH2+]CC(=O)c1c(N)n(CC)c(=O)[nH]c1=O)c1ccccc1	ZINC000180039610	525654697	/nfs/dbraw/zinc/65/46/97/525654697.db2.gz	OZRXNWNQXUXHLI-AWEZNQCLSA-N	1	0	356.426	1.619	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1	ZINC000154918127	525683323	/nfs/dbraw/zinc/68/33/23/525683323.db2.gz	SXTKMOVDUKKZNX-INIZCTEOSA-N	1	0	373.501	1.451	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCC(=O)NCc2ccc(OC)cc2)CC1	ZINC000106274906	525686010	/nfs/dbraw/zinc/68/60/10/525686010.db2.gz	AIQPPLBGNVALLF-UHFFFAOYSA-N	1	0	374.485	1.651	20	30		FDEDRO
COc1cccc([C@@H](CNC(=O)N2CCO[C@@H](C#N)C2)[NH+]2CCCC2)c1	ZINC000106328850	525693094	/nfs/dbraw/zinc/69/30/94/525693094.db2.gz	JRJBRSZZOQVOCM-ZWKOTPCHSA-N	1	0	358.442	1.766	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(NC(C)=O)c2)CC1	ZINC000106349495	525698759	/nfs/dbraw/zinc/69/87/59/525698759.db2.gz	OQPBHYXRGKJQEJ-UHFFFAOYSA-N	1	0	358.442	1.740	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1	ZINC000180396539	525700164	/nfs/dbraw/zinc/70/01/64/525700164.db2.gz	NZRAELWLRZNCLR-HZPDHXFCSA-N	1	0	374.485	1.397	20	30		FDEDRO
Cn1ccnc1CN1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1	ZINC000106440837	525725425	/nfs/dbraw/zinc/72/54/25/525725425.db2.gz	FFZPAXUYLMJQQF-UHFFFAOYSA-N	1	0	352.442	1.438	20	30		FDEDRO
C=C(C)CN(C)C(=O)C(=O)Nc1cccc(C(=O)NCC[NH+](CC)CC)c1	ZINC000180678999	525738936	/nfs/dbraw/zinc/73/89/36/525738936.db2.gz	QJXLIRQOFRXJQL-UHFFFAOYSA-N	1	0	374.485	1.731	20	30		FDEDRO
C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000119466257	525755533	/nfs/dbraw/zinc/75/55/33/525755533.db2.gz	AATFKSDIPXCATQ-OCCSQVGLSA-N	1	0	360.462	1.247	20	30		FDEDRO
CC[C@H](C)NC(=O)CCNC(=[NH2+])NCCc1ccc(OC)c(OC)c1	ZINC000170908263	525764918	/nfs/dbraw/zinc/76/49/18/525764918.db2.gz	CJRUAFRREQYJBA-ZDUSSCGKSA-N	1	0	350.463	1.455	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCCN2CCOC(C)(C)C2)cc1OC	ZINC000170912902	525767986	/nfs/dbraw/zinc/76/79/86/525767986.db2.gz	FGPXFUSPXNYWFN-UHFFFAOYSA-N	1	0	350.463	1.219	20	30		FDEDRO
N#CCCn1cc(C[NH2+]CC(=O)N2CCOCC2)c(-c2ccccc2)n1	ZINC000181033611	525792562	/nfs/dbraw/zinc/79/25/62/525792562.db2.gz	JOMHJWYUVMRMIW-UHFFFAOYSA-N	1	0	353.426	1.412	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)cc1	ZINC000119613301	525806353	/nfs/dbraw/zinc/80/63/53/525806353.db2.gz	WOEBMQOQHHWWEE-ZWKOTPCHSA-N	1	0	355.442	1.496	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCOC[C@H]2C[C@H](O)c2ccccc2)CC1	ZINC000155299270	525813636	/nfs/dbraw/zinc/81/36/36/525813636.db2.gz	NFYVCZYHARRDOM-UXHICEINSA-N	1	0	356.466	1.683	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)c(OC)c1	ZINC000131059941	525823453	/nfs/dbraw/zinc/82/34/53/525823453.db2.gz	SCIYEMWEBRBLFK-IXDOHACOSA-N	1	0	362.470	1.797	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000181243138	525825981	/nfs/dbraw/zinc/82/59/81/525825981.db2.gz	WMRYAYXRYRXECJ-SFHVURJKSA-N	1	0	358.486	1.842	20	30		FDEDRO
N#Cc1cc(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)c[nH]1	ZINC000181259237	525827655	/nfs/dbraw/zinc/82/76/55/525827655.db2.gz	HIVQWZWYEGQSCR-UHFFFAOYSA-N	1	0	371.485	1.731	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCC2(C)CC[NH2+]CC2)cc1	ZINC000181278799	525832418	/nfs/dbraw/zinc/83/24/18/525832418.db2.gz	OUUPSHDJJXNAPG-UHFFFAOYSA-N	1	0	351.472	1.270	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1	ZINC000119711775	525836537	/nfs/dbraw/zinc/83/65/37/525836537.db2.gz	WBGAPIBYOKPFBG-UHFFFAOYSA-N	1	0	373.425	1.304	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccccc2OCC#N)CC1	ZINC000107283985	525860607	/nfs/dbraw/zinc/86/06/07/525860607.db2.gz	KVSSIFFDELKUDI-KRWDZBQOSA-N	1	0	356.470	1.831	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1cccc(C#N)c1	ZINC000107402538	525885602	/nfs/dbraw/zinc/88/56/02/525885602.db2.gz	BQGUWUNAADQGFZ-UHFFFAOYSA-N	1	0	351.410	1.482	20	30		FDEDRO
CC(C)[N@H+](C)CCNS(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000155600088	525920086	/nfs/dbraw/zinc/92/00/86/525920086.db2.gz	NFYZPSQQYBVGDC-UHFFFAOYSA-N	1	0	360.277	1.939	20	30		FDEDRO
CC[N@@H+]1CC[C@H](CNC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C1	ZINC000107890335	525927567	/nfs/dbraw/zinc/92/75/67/525927567.db2.gz	YLMSDGLCGINLLL-OAHLLOKOSA-N	1	0	354.458	1.608	20	30		FDEDRO
C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1	ZINC000132097664	525936253	/nfs/dbraw/zinc/93/62/53/525936253.db2.gz	KBZZCBIZRDPODE-HNNXBMFYSA-N	1	0	357.458	1.133	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@]2(CO)CCc3ccccc32)cc1	ZINC000132222038	525946740	/nfs/dbraw/zinc/94/67/40/525946740.db2.gz	KXCVADWSSSXHAW-NQIIRXRSSA-N	1	0	352.434	1.916	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000181876150	525966886	/nfs/dbraw/zinc/96/68/86/525966886.db2.gz	IGSIJJHWVINMBC-LSDHHAIUSA-N	1	0	354.410	1.389	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)C2)c1	ZINC000108406796	525968929	/nfs/dbraw/zinc/96/89/29/525968929.db2.gz	KSQXIRMDJQCOPH-CQSZACIVSA-N	1	0	351.472	1.223	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CC(=O)NCC(F)(F)F	ZINC000181892413	525972013	/nfs/dbraw/zinc/97/20/13/525972013.db2.gz	BBXHAMILKPOSSP-UHFFFAOYSA-N	1	0	370.375	1.517	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1	ZINC000181904124	525977401	/nfs/dbraw/zinc/97/74/01/525977401.db2.gz	MPDJWSVSOXJEEH-IHRRRGAJSA-N	1	0	356.426	1.657	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[NH+](CC3CC3)CC2)cc1	ZINC000108584732	525993512	/nfs/dbraw/zinc/99/35/12/525993512.db2.gz	REMPXFHJCJMSBV-UHFFFAOYSA-N	1	0	363.483	1.319	20	30		FDEDRO
C[C@@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1cccc(C#N)c1	ZINC000181948632	525993688	/nfs/dbraw/zinc/99/36/88/525993688.db2.gz	DUYGSHOWKJNNHX-RHSMWYFYSA-N	1	0	351.472	1.697	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](C)C[NH+]2CCCC2)c1	ZINC000108688459	526012686	/nfs/dbraw/zinc/01/26/86/526012686.db2.gz	KKRSABXFLACGRM-HNNXBMFYSA-N	1	0	363.483	1.060	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)CC1	ZINC000108709068	526015409	/nfs/dbraw/zinc/01/54/09/526015409.db2.gz	AVMDEWBNKWMVHB-UHFFFAOYSA-N	1	0	353.344	1.504	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1	ZINC000108768322	526020412	/nfs/dbraw/zinc/02/04/12/526020412.db2.gz	MMWXLGMOPFKXIR-UHFFFAOYSA-N	1	0	364.471	1.011	20	30		FDEDRO
C[NH+](C)CCNS(=O)(=O)c1ccc(NCCCCC#N)c([N+](=O)[O-])c1	ZINC000171609896	526047872	/nfs/dbraw/zinc/04/78/72/526047872.db2.gz	XOTOJUOJPUEMJJ-UHFFFAOYSA-N	1	0	369.447	1.540	20	30		FDEDRO
CN(C)c1ccc(C(N)=[NH+]OCC(=O)N2CCc3ccccc3C2)cc1	ZINC000120382822	526048089	/nfs/dbraw/zinc/04/80/89/526048089.db2.gz	CBNWPPJEGCWDQN-UHFFFAOYSA-N	1	0	352.438	1.974	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NCC2CC[NH2+]CC2)ccc1F	ZINC000120445863	526065029	/nfs/dbraw/zinc/06/50/29/526065029.db2.gz	RECLFPDVSKONJV-UHFFFAOYSA-N	1	0	355.435	1.019	20	30		FDEDRO
NC(=O)C1CCN(C(=O)C2CC[NH+](CC#Cc3ccc(F)cc3)CC2)CC1	ZINC000156164887	526071022	/nfs/dbraw/zinc/07/10/22/526071022.db2.gz	ISVNYWGZXWSEMR-UHFFFAOYSA-N	1	0	371.456	1.613	20	30		FDEDRO
CN(C1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1)S(C)(=O)=O	ZINC000109198346	526091333	/nfs/dbraw/zinc/09/13/33/526091333.db2.gz	RPJMLYHZHGKFLB-UHFFFAOYSA-N	1	0	364.471	1.243	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H](C)NS(=O)(=O)c2cccs2)CC1	ZINC000171721508	526093871	/nfs/dbraw/zinc/09/38/71/526093871.db2.gz	OWISRMRZBPYTNM-GFCCVEGCSA-N	1	0	357.501	1.182	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)CC1	ZINC000171721972	526094298	/nfs/dbraw/zinc/09/42/98/526094298.db2.gz	JSGXNRVCYAVEEQ-UHFFFAOYSA-N	1	0	369.462	1.456	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)CC1	ZINC000182287021	526122620	/nfs/dbraw/zinc/12/26/20/526122620.db2.gz	IJHBNBAAJGRGJO-RDJZCZTQSA-N	1	0	372.469	1.758	20	30		FDEDRO
C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1	ZINC000156502530	526151342	/nfs/dbraw/zinc/15/13/42/526151342.db2.gz	WCQOLSABCMNONY-LBPRGKRZSA-N	1	0	352.416	1.477	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(CCC(=O)Nc2cccc(C#N)c2)CC1	ZINC000171932595	526184569	/nfs/dbraw/zinc/18/45/69/526184569.db2.gz	NAVWZEWEJUZXSQ-HXUWFJFHSA-N	1	0	369.513	1.989	20	30		FDEDRO
CC(C)[N@H+](CCO)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000182698009	535847675	/nfs/dbraw/zinc/84/76/75/535847675.db2.gz	YBFGJDNSZTUCOP-GOSISDBHSA-N	1	0	362.449	1.237	20	30		FDEDRO
C[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCS1	ZINC000182751594	535856878	/nfs/dbraw/zinc/85/68/78/535856878.db2.gz	CRYPKGLCHYCKHD-CABCVRRESA-N	1	0	364.540	1.894	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1	ZINC000182901000	535884948	/nfs/dbraw/zinc/88/49/48/535884948.db2.gz	XPWKNLMALZLSFC-PMACEKPBSA-N	1	0	370.497	1.874	20	30		FDEDRO
COC[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(F)c(F)c1	ZINC000183272192	535954119	/nfs/dbraw/zinc/95/41/19/535954119.db2.gz	JLRYGCHKJUPGFV-HYEKCJMVSA-N	1	0	351.353	1.768	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@H](CCO)C2CCCCC2)CC1	ZINC000183708508	536033948	/nfs/dbraw/zinc/03/39/48/536033948.db2.gz	UBIGYYMZRRGVGA-RTBURBONSA-N	1	0	364.534	1.600	20	30		FDEDRO
N#Cc1ccc(Cl)c(S(=O)(=O)NCC2CC[NH+](CCO)CC2)c1	ZINC000184877223	536189368	/nfs/dbraw/zinc/18/93/68/536189368.db2.gz	DCMNENUXZGQNSX-UHFFFAOYSA-N	1	0	357.863	1.194	20	30		FDEDRO
C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000185337339	536205832	/nfs/dbraw/zinc/20/58/32/536205832.db2.gz	BGEUYVPHIRXIGR-ZDUSSCGKSA-N	1	0	370.906	1.516	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCCC1	ZINC000187639345	536270516	/nfs/dbraw/zinc/27/05/16/536270516.db2.gz	CZTPETNFOATDTE-KRWDZBQOSA-N	1	0	357.454	1.874	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1	ZINC000187667488	536271219	/nfs/dbraw/zinc/27/12/19/536271219.db2.gz	GJFKJXJFQUJYHF-INIZCTEOSA-N	1	0	357.454	1.875	20	30		FDEDRO
C[C@H]1CN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@@H+]1CCO	ZINC000187698677	536272011	/nfs/dbraw/zinc/27/20/11/536272011.db2.gz	ZMJFQPJRRMPSFE-ZDUSSCGKSA-N	1	0	350.850	1.539	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000188324321	536290339	/nfs/dbraw/zinc/29/03/39/536290339.db2.gz	FHFGXLYOKNYGGH-NRFANRHFSA-N	1	0	359.514	1.980	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@]2(CO)C[C@H](OCC)C2(C)C)CC1	ZINC000188565642	536903970	/nfs/dbraw/zinc/90/39/70/536903970.db2.gz	GVHMDMOUJWUDIE-LPHOPBHVSA-N	1	0	353.507	1.892	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)c1	ZINC000188677772	536926056	/nfs/dbraw/zinc/92/60/56/536926056.db2.gz	HZRFXECPZQFVIX-UHFFFAOYSA-N	1	0	371.462	1.684	20	30		FDEDRO
CC[C@@H](CC#N)NC(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1	ZINC000188804094	536952903	/nfs/dbraw/zinc/95/29/03/536952903.db2.gz	FMTZJQZLQCWEND-HNNXBMFYSA-N	1	0	357.458	1.575	20	30		FDEDRO
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1	ZINC000246483155	536963178	/nfs/dbraw/zinc/96/31/78/536963178.db2.gz	OVLIKQIAFHBAGK-HNAYVOBHSA-N	1	0	357.454	1.957	20	30		FDEDRO
C[NH+]=C(NCC(=O)NCc1ccco1)N1CCN(c2ccccc2)CC1	ZINC000263251468	537001557	/nfs/dbraw/zinc/00/15/57/537001557.db2.gz	OXOCSTCJGPHWEV-UHFFFAOYSA-N	1	0	355.442	1.293	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1	ZINC000268140512	537012091	/nfs/dbraw/zinc/01/20/91/537012091.db2.gz	KJIJACWKZMFVCZ-LSTHTHJFSA-N	1	0	367.497	1.889	20	30		FDEDRO
CCO[C@@H]1C[C@H](O)C12CC[NH+](C[C@@H](O)COc1ccc(C#N)cc1)CC2	ZINC000246731075	537013378	/nfs/dbraw/zinc/01/33/78/537013378.db2.gz	DSCFEOLJWIXXEK-NZSAHSFTSA-N	1	0	360.454	1.550	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2cccc(F)c2C#N)cc1	ZINC000189301066	537024209	/nfs/dbraw/zinc/02/42/09/537024209.db2.gz	HXNHQBHXVKWFPC-UHFFFAOYSA-N	1	0	368.412	1.919	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](C(=O)NC)C2)c(OC)c1	ZINC000247363470	537113566	/nfs/dbraw/zinc/11/35/66/537113566.db2.gz	AVCFNNSKGOLBQD-DLBZAZTESA-N	1	0	362.470	1.621	20	30		FDEDRO
C[C@H](C1CC1)n1cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cn1	ZINC000190000159	537125511	/nfs/dbraw/zinc/12/55/11/537125511.db2.gz	FWAVVHPOWAJYIF-CQSZACIVSA-N	1	0	360.462	1.487	20	30		FDEDRO
CCOCCC[NH+]=C(NCCn1cncn1)NCc1ccc(OC)cc1	ZINC000263971436	537133654	/nfs/dbraw/zinc/13/36/54/537133654.db2.gz	NZBUHYFSPMHQIJ-UHFFFAOYSA-N	1	0	360.462	1.449	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1cnn(Cc2ccccc2)c1	ZINC000264104416	537137665	/nfs/dbraw/zinc/13/76/65/537137665.db2.gz	PCCYRKYCJURXDP-UHFFFAOYSA-N	1	0	356.474	1.058	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NC[C@H](c1ccc(OC)cc1)N1CCOCC1	ZINC000264152106	537138398	/nfs/dbraw/zinc/13/83/98/537138398.db2.gz	ZNOFJTMWXXVCMU-WMLDXEAASA-N	1	0	350.463	1.008	20	30		FDEDRO
Cc1ccc(Br)cc1NC(=O)CCNC(=[NH2+])N1CCOCC1	ZINC000264303723	537141171	/nfs/dbraw/zinc/14/11/71/537141171.db2.gz	SJRJNRUZAJEYBL-UHFFFAOYSA-N	1	0	369.263	1.733	20	30		FDEDRO
N#Cc1ccc(CN2CCC[N@@H+](C[C@H](O)COC[C@H]3CCCO3)CC2)cc1	ZINC000247638676	537141538	/nfs/dbraw/zinc/14/15/38/537141538.db2.gz	FTZREEDURQMOAE-LEWJYISDSA-N	1	0	373.497	1.622	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(Cc3csc(C)n3)CC2)CC1	ZINC000264395226	537143390	/nfs/dbraw/zinc/14/33/90/537143390.db2.gz	XXSUJBDSTURNRM-UHFFFAOYSA-N	1	0	363.531	1.929	20	30		FDEDRO
C=CCc1cc(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc(OC)c1OC	ZINC000264420188	537143827	/nfs/dbraw/zinc/14/38/27/537143827.db2.gz	JUQXKSVUDIJNKL-OAHLLOKOSA-N	1	0	361.486	1.798	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(=O)OC)cc2)CC1	ZINC000264423894	537144551	/nfs/dbraw/zinc/14/45/51/537144551.db2.gz	VFRQUCXHXHBROA-UHFFFAOYSA-N	1	0	359.426	1.568	20	30		FDEDRO
COc1cc(/C=C/C(=O)NCC2([NH+](C)C)CCOCC2)ccc1OCC#N	ZINC000265133513	537150996	/nfs/dbraw/zinc/15/09/96/537150996.db2.gz	ZGRSYZDLXWSLTA-FNORWQNLSA-N	1	0	373.453	1.838	20	30		FDEDRO
CC#CCNC(=O)C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000190531378	537177091	/nfs/dbraw/zinc/17/70/91/537177091.db2.gz	RMUIETARVVYRCL-QGZVFWFLSA-N	1	0	365.437	1.408	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1	ZINC000248565500	537192861	/nfs/dbraw/zinc/19/28/61/537192861.db2.gz	BQUAMAXYILONJZ-BPNCWPANSA-N	1	0	370.272	1.679	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NCC(=O)N[C@@](C)(C#N)C2CC2)[C@@H](C)C1	ZINC000249419215	537235392	/nfs/dbraw/zinc/23/53/92/537235392.db2.gz	HGIGHLQTVVBQKK-IEZWGBDMSA-N	1	0	350.507	1.521	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000193137472	537240996	/nfs/dbraw/zinc/24/09/96/537240996.db2.gz	NNHCESIATCDBRK-UHFFFAOYSA-N	1	0	360.458	1.511	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000193438261	537247895	/nfs/dbraw/zinc/24/78/95/537247895.db2.gz	ACJPKCJSMNWJNH-HZPDHXFCSA-N	1	0	371.485	1.996	20	30		FDEDRO
C[NH+]=C(NC[C@@H](c1ccco1)N(C)C)N1CCO[C@H](c2cnn(C)c2)C1	ZINC000261797073	537253064	/nfs/dbraw/zinc/25/30/64/537253064.db2.gz	RBNVQGUFGLZJOU-RDJZCZTQSA-N	1	0	360.462	1.265	20	30		FDEDRO
C[NH+]=C(NCCc1nc(C)c(C)s1)NC[C@@H]1CCc2nnc(C)n2C1	ZINC000261795995	537253316	/nfs/dbraw/zinc/25/33/16/537253316.db2.gz	QXNOXEWGNGQCTC-AWEZNQCLSA-N	1	0	361.519	1.630	20	30		FDEDRO
CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000290129677	537262704	/nfs/dbraw/zinc/26/27/04/537262704.db2.gz	ZKIXPDBMWTYPAY-HOTGVXAUSA-N	1	0	351.472	1.910	20	30		FDEDRO
CC(C)S(=O)(=O)CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000290144915	537270669	/nfs/dbraw/zinc/27/06/69/537270669.db2.gz	KSQORIPBGVZNAH-UHFFFAOYSA-N	1	0	361.471	1.772	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000272547869	537296398	/nfs/dbraw/zinc/29/63/98/537296398.db2.gz	MXEMVCFRVIQHNM-IJEWVQPXSA-N	1	0	356.426	1.659	20	30		FDEDRO
C=CCn1c(-c2cnn(C)c2)nnc1N1CC[N@H+](CCOC)[C@@H](CCC)C1	ZINC000282276119	537298107	/nfs/dbraw/zinc/29/81/07/537298107.db2.gz	MMTXPWXIMQASHR-KRWDZBQOSA-N	1	0	373.505	1.802	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)CN1CCCNC(=O)[C@H]1Cc1ccccc1	ZINC000293079441	537330273	/nfs/dbraw/zinc/33/02/73/537330273.db2.gz	WDFYIUQVQJTCAQ-XLIONFOSSA-N	1	0	356.470	1.474	20	30		FDEDRO
C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3cccc(OCCCC#N)c3)C2)C1	ZINC000293090578	537336511	/nfs/dbraw/zinc/33/65/11/537336511.db2.gz	AWIGOSKWLIGHQY-FQEVSTJZSA-N	1	0	370.453	1.862	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc(C#N)cc(N(C)C)c1	ZINC000293112733	537349987	/nfs/dbraw/zinc/34/99/87/537349987.db2.gz	QZXBETPVKKRRFX-GOSISDBHSA-N	1	0	371.485	1.297	20	30		FDEDRO
CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)cc1	ZINC000283922684	537391895	/nfs/dbraw/zinc/39/18/95/537391895.db2.gz	AQWYWYLBCSFVHV-KBPBESRZSA-N	1	0	351.472	1.891	20	30		FDEDRO
COCc1nc2n(n1)C[C@H]([NH2+]C1CCN(c3ccc(C#N)cc3)CC1)CC2	ZINC000285974957	537394067	/nfs/dbraw/zinc/39/40/67/537394067.db2.gz	GFVGIWIPZHGQLV-QGZVFWFLSA-N	1	0	366.469	1.870	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NCCCC#N	ZINC000273118604	537397043	/nfs/dbraw/zinc/39/70/43/537397043.db2.gz	PXCVUOQNDZWXPN-UHFFFAOYSA-N	1	0	366.487	1.259	20	30		FDEDRO
COC(=O)C1=NOC2(C1)CC[NH+](C[C@H](O)COc1ccc(C#N)cc1)CC2	ZINC000273182765	537408497	/nfs/dbraw/zinc/40/84/97/537408497.db2.gz	JWHICOOQEBWBCG-HNNXBMFYSA-N	1	0	373.409	1.082	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCCC1CC[NH+](C)CC1	ZINC000286053654	537414185	/nfs/dbraw/zinc/41/41/85/537414185.db2.gz	UIWRKOIHZOTWIS-UHFFFAOYSA-N	1	0	368.481	1.921	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)CC1	ZINC000273214548	537415455	/nfs/dbraw/zinc/41/54/55/537415455.db2.gz	UMIYLBDRSBDTJD-SFHVURJKSA-N	1	0	354.454	1.034	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(-c2cnc(C)o2)cc1	ZINC000293402509	537443460	/nfs/dbraw/zinc/44/34/60/537443460.db2.gz	OOYOJCHXIHDXKA-UHFFFAOYSA-N	1	0	354.410	1.660	20	30		FDEDRO
C=CC[C@H](C)NC(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1	ZINC000287865349	537446570	/nfs/dbraw/zinc/44/65/70/537446570.db2.gz	ZWQIUWDMYBVEPV-AWEZNQCLSA-N	1	0	360.458	1.986	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000299197019	537472873	/nfs/dbraw/zinc/47/28/73/537472873.db2.gz	TXMYRLNUNHPCOD-LJQANCHMSA-N	1	0	353.466	1.716	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)[NH+]1CCN(C)CC1	ZINC000280841430	537472857	/nfs/dbraw/zinc/47/28/57/537472857.db2.gz	JKUPPONFXYDAIO-WOJBJXKFSA-N	1	0	367.497	1.629	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(C)c(C(=O)OCC)s1	ZINC000299204561	537478372	/nfs/dbraw/zinc/47/83/72/537478372.db2.gz	GBTIJAGPPKVUSS-UHFFFAOYSA-N	1	0	365.455	1.243	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(OC(F)F)cc1F	ZINC000293508658	537493390	/nfs/dbraw/zinc/49/33/90/537493390.db2.gz	XWIQCNKMMHJSCR-UHFFFAOYSA-N	1	0	357.332	1.437	20	30		FDEDRO
CC(=O)N1CSC[C@@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000365396485	537507062	/nfs/dbraw/zinc/50/70/62/537507062.db2.gz	RJUYQELWQNINFB-QGZVFWFLSA-N	1	0	372.494	1.582	20	30		FDEDRO
CN(CCC[NH+]1CCCC1)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1	ZINC000281219648	537515913	/nfs/dbraw/zinc/51/59/13/537515913.db2.gz	DRJVOCITNMOAMK-INIZCTEOSA-N	1	0	367.453	1.929	20	30		FDEDRO
C[C@@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)[C@@H](c1ccccc1)[NH+](C)C	ZINC000274688032	537529303	/nfs/dbraw/zinc/52/93/03/537529303.db2.gz	KZFAYLSDCYNMLC-LUSYWZJUSA-N	1	0	370.453	1.711	20	30		FDEDRO
CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000291251194	537548977	/nfs/dbraw/zinc/54/89/77/537548977.db2.gz	QHQSAWHVWQTGQU-CABCVRRESA-N	1	0	359.478	1.297	20	30		FDEDRO
C=CCC[N@@H+](C)CC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O	ZINC000276505110	537556971	/nfs/dbraw/zinc/55/69/71/537556971.db2.gz	WSVHDSGLDDRHKL-RVDMUPIBSA-N	1	0	374.466	1.742	20	30		FDEDRO
CCN(CCC#N)C(=O)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1	ZINC000275729496	537559437	/nfs/dbraw/zinc/55/94/37/537559437.db2.gz	POMOGMAFOLGTGK-UHFFFAOYSA-N	1	0	373.457	1.586	20	30		FDEDRO
CCOC(=O)[C@@H]1CCCN(CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000289287420	537567127	/nfs/dbraw/zinc/56/71/27/537567127.db2.gz	QUSZLXAWBLELAW-CQSZACIVSA-N	1	0	351.428	1.002	20	30		FDEDRO
C=C[C@@H](CO)NC(=O)NCc1ccc(OCC[NH+](CC)CC)c(OC)c1	ZINC000291402999	537581160	/nfs/dbraw/zinc/58/11/60/537581160.db2.gz	XIMWGTCVOYBFFH-INIZCTEOSA-N	1	0	365.474	1.762	20	30		FDEDRO
CCOCCCNC(=[NH2+])NCC1CCN(Cc2csc(C)n2)CC1	ZINC000304756579	537598516	/nfs/dbraw/zinc/59/85/16/537598516.db2.gz	NVFSSOQWOXPDBD-UHFFFAOYSA-N	1	0	353.536	1.994	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(S(=O)(=O)CCC)cc1	ZINC000293847910	537609279	/nfs/dbraw/zinc/60/92/79/537609279.db2.gz	RCAMUFMRGJOGKU-UHFFFAOYSA-N	1	0	372.512	1.104	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C[NH2+]C)C2)cc1	ZINC000237313608	537622883	/nfs/dbraw/zinc/62/28/83/537622883.db2.gz	MIZSIRFIWSYPRO-CQSZACIVSA-N	1	0	351.472	1.223	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CCN(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)C2)nc1	ZINC000291565220	537631421	/nfs/dbraw/zinc/63/14/21/537631421.db2.gz	CXZXXBNTSRTRCF-WBVHZDCISA-N	1	0	355.442	1.600	20	30		FDEDRO
O=C(NC[C@@H]1COc2ccccc2O1)N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000329912408	537645086	/nfs/dbraw/zinc/64/50/86/537645086.db2.gz	BFHHUEAKLUNUJH-HZPDHXFCSA-N	1	0	361.442	1.395	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@@H](C)c3ncnn3C)CC2)CC1	ZINC000329920321	537645731	/nfs/dbraw/zinc/64/57/31/537645731.db2.gz	GYEXXJABIRFEKB-HNNXBMFYSA-N	1	0	363.510	1.281	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1CC(=O)N(C2CC2)C1	ZINC000330227090	537651883	/nfs/dbraw/zinc/65/18/83/537651883.db2.gz	PBXMGEKBNKBMFJ-LSDHHAIUSA-N	1	0	364.490	1.096	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)nc1	ZINC000292073006	537705836	/nfs/dbraw/zinc/70/58/36/537705836.db2.gz	CVRXMKJEYXDQKW-OAHLLOKOSA-N	1	0	355.354	1.176	20	30		FDEDRO
CCOC(=O)[C@](C)(O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000285433709	537710556	/nfs/dbraw/zinc/71/05/56/537710556.db2.gz	HOKJIJXJWFWSEV-GOSISDBHSA-N	1	0	350.390	1.855	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(CCOc2ccccc2C#N)CC1	ZINC000285439966	537712160	/nfs/dbraw/zinc/71/21/60/537712160.db2.gz	HZZNFEZYRSECMV-UHFFFAOYSA-N	1	0	361.486	1.996	20	30		FDEDRO
N#Cc1ncn(CC[NH2+]Cc2cc(Br)c3c(c2)OCCO3)n1	ZINC000285517194	537725148	/nfs/dbraw/zinc/72/51/48/537725148.db2.gz	NZGPPOQWJJMERV-UHFFFAOYSA-N	1	0	364.203	1.473	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CCCC[C@@H]1COC(=O)N1CCOCC1	ZINC000375800766	537772623	/nfs/dbraw/zinc/77/26/23/537772623.db2.gz	DNUWRZUIWGNNBK-MRXNPFEDSA-N	1	0	366.462	1.072	20	30		FDEDRO
C[C@@]1(NS(=O)(=O)c2ccc(C#N)nc2)CC[N@H+](Cc2ccccc2)C1	ZINC000405973332	537811655	/nfs/dbraw/zinc/81/16/55/537811655.db2.gz	WECGYERAFVEDMK-GOSISDBHSA-N	1	0	356.451	1.896	20	30		FDEDRO
C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCCSCc1ccccc1C#N	ZINC000418909956	537838156	/nfs/dbraw/zinc/83/81/56/537838156.db2.gz	APLSFUJYLSZTFL-KBPBESRZSA-N	1	0	360.483	1.103	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(CCC[NH+]2CCCC2)CC1	ZINC000409507175	537855422	/nfs/dbraw/zinc/85/54/22/537855422.db2.gz	LPOSLGHAGLPESI-MRXNPFEDSA-N	1	0	356.536	1.911	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1	ZINC000418934268	537856282	/nfs/dbraw/zinc/85/62/82/537856282.db2.gz	JICMPVYKZWWUQD-BBWFWOEESA-N	1	0	357.454	1.453	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1	ZINC000409517284	537858683	/nfs/dbraw/zinc/85/86/83/537858683.db2.gz	ZHLSMDMIUGPOSJ-SFHVURJKSA-N	1	0	364.515	1.967	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)NCc1ccccc1OCC[NH+](C)C	ZINC000409579450	537864875	/nfs/dbraw/zinc/86/48/75/537864875.db2.gz	FOLPCADMYPVNMN-OAHLLOKOSA-N	1	0	368.503	1.443	20	30		FDEDRO
N#Cc1ccccc1OC1CCC(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1	ZINC000419035835	537902871	/nfs/dbraw/zinc/90/28/71/537902871.db2.gz	OZGYDUUMARCYLQ-GTPINHCMSA-N	1	0	370.453	1.314	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1	ZINC000411985754	537923797	/nfs/dbraw/zinc/92/37/97/537923797.db2.gz	SQKYOOZNTYLGLS-DZIWXPPMSA-N	1	0	356.470	1.630	20	30		FDEDRO
O=C(NCC#Cc1cccc(C(F)(F)F)c1)C(=O)NC[C@H]1CCC[NH2+]C1	ZINC000419116158	537945269	/nfs/dbraw/zinc/94/52/69/537945269.db2.gz	OOTWIMUDNGVJJT-AWEZNQCLSA-N	1	0	367.371	1.289	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1	ZINC000412076334	537945285	/nfs/dbraw/zinc/94/52/85/537945285.db2.gz	SJRDRWUJMPTISD-AWEZNQCLSA-N	1	0	353.463	1.832	20	30		FDEDRO
N#Cc1cccc(C2(NC(=O)C(=O)Nc3ccc4c(c3)C[NH2+]CC4)CC2)c1	ZINC000415177138	537970925	/nfs/dbraw/zinc/97/09/25/537970925.db2.gz	HKAGAGOUKHJJQC-UHFFFAOYSA-N	1	0	360.417	1.948	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NC1CC[NH+](CCc2ccncc2)CC1	ZINC000369216094	538003830	/nfs/dbraw/zinc/00/38/30/538003830.db2.gz	SRGPZQLMVYEEKQ-HNNXBMFYSA-N	1	0	365.503	1.157	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H]1CCC[NH2+]C1	ZINC000415347462	538018163	/nfs/dbraw/zinc/01/81/63/538018163.db2.gz	DKXALHOQKGRNDW-PWSUYJOCSA-N	1	0	366.368	1.602	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1	ZINC000415452928	538056336	/nfs/dbraw/zinc/05/63/36/538056336.db2.gz	PRMMGUMCOZOCSV-UHFFFAOYSA-N	1	0	370.453	1.886	20	30		FDEDRO
N#CC1(CNC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CCC1	ZINC000419452417	538069161	/nfs/dbraw/zinc/06/91/61/538069161.db2.gz	GUQMRGMOGZUIAG-UHFFFAOYSA-N	1	0	371.489	1.372	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)C3(c4cc(F)cc(C#N)c4)CC3)C2)CC1	ZINC000560473404	545514022	/nfs/dbraw/zinc/51/40/22/545514022.db2.gz	RDJXJRSEIQHCKP-IBGZPJMESA-N	1	0	370.472	1.967	20	30		FDEDRO
Cc1cc(S(=O)(=O)N2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)ccc1C#N	ZINC000373049486	538086866	/nfs/dbraw/zinc/08/68/66/538086866.db2.gz	NVIRIOZZENRPER-IAGOWNOFSA-N	1	0	363.483	1.477	20	30		FDEDRO
COCC[NH2+]CCNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000418506788	538094148	/nfs/dbraw/zinc/09/41/48/538094148.db2.gz	JGFFLPNAXNVLCB-UHFFFAOYSA-N	1	0	373.457	1.154	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000370837655	538094478	/nfs/dbraw/zinc/09/44/78/538094478.db2.gz	CZQHQDFODAKKPR-QFBILLFUSA-N	1	0	370.497	1.952	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)[C@@H](C)C[NH2+]1	ZINC000423633671	538126713	/nfs/dbraw/zinc/12/67/13/538126713.db2.gz	PMDNUYSBUHCVKI-CABCVRRESA-N	1	0	370.453	1.137	20	30		FDEDRO
C[C@H]1CCCN(C(=O)C(=O)N(C)CCOCc2ccc(C#N)cc2)[C@H]1C[NH3+]	ZINC000423723917	538149954	/nfs/dbraw/zinc/14/99/54/538149954.db2.gz	GRHCULLYDJHJCG-YJBOKZPZSA-N	1	0	372.469	1.119	20	30		FDEDRO
CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	ZINC000419947625	538160012	/nfs/dbraw/zinc/16/00/12/538160012.db2.gz	DAHMSGVBQDCOOE-FGTMMUONSA-N	1	0	356.470	1.774	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1CCc2nnnn2CC1)C(C)C	ZINC000422160778	538173090	/nfs/dbraw/zinc/17/30/90/538173090.db2.gz	CDGXAISVLQYTPV-CVEARBPZSA-N	1	0	361.494	1.376	20	30		FDEDRO
C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000419997983	538181342	/nfs/dbraw/zinc/18/13/42/538181342.db2.gz	MFRYOFIEMVZVOV-DNVCBOLYSA-N	1	0	362.449	1.343	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NCC[NH2+]C1CCCCCC1	ZINC000420041887	538196326	/nfs/dbraw/zinc/19/63/26/538196326.db2.gz	MTFLKHVDMLCVIQ-UHFFFAOYSA-N	1	0	356.470	1.945	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@](C)(OC)C2CC2)CC1	ZINC000422291169	538214992	/nfs/dbraw/zinc/21/49/92/538214992.db2.gz	CVGGGOCCZDGFEA-LIRRHRJNSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NCC1CC[NH+](CCO)CC1	ZINC000422297952	538217528	/nfs/dbraw/zinc/21/75/28/538217528.db2.gz	KAFSBWHCHIIEFV-LJQANCHMSA-N	1	0	373.497	1.111	20	30		FDEDRO
N#CCCn1cc(C[NH2+]C2CCC(C(N)=O)CC2)c(-c2ccncc2)n1	ZINC000433325793	538224581	/nfs/dbraw/zinc/22/45/81/538224581.db2.gz	IGFMYDSSKIAMAW-UHFFFAOYSA-N	1	0	352.442	1.992	20	30		FDEDRO
CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]([NH3+])CCCC#N	ZINC000424091386	538231114	/nfs/dbraw/zinc/23/11/14/538231114.db2.gz	MORNWWRIXTUHHG-ZFWWWQNUSA-N	1	0	373.375	1.925	20	30		FDEDRO
COCC(C)(C)[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C)CC1	ZINC000424117975	538239805	/nfs/dbraw/zinc/23/98/05/538239805.db2.gz	ZLXKRMLZVVXSHT-UHFFFAOYSA-N	1	0	354.458	1.901	20	30		FDEDRO
C[C@@](NC(=O)[C@H]([NH3+])CCCC#N)(C(N)=O)c1cccc(C(F)(F)F)c1	ZINC000424123407	538241227	/nfs/dbraw/zinc/24/12/27/538241227.db2.gz	KJLBVNXRVVIWNN-DOMZBBRYSA-N	1	0	356.348	1.543	20	30		FDEDRO
C[C@@](NC(=O)[C@@H]([NH3+])CCCC#N)(C(N)=O)c1cccc(C(F)(F)F)c1	ZINC000424123412	538241237	/nfs/dbraw/zinc/24/12/37/538241237.db2.gz	KJLBVNXRVVIWNN-WFASDCNBSA-N	1	0	356.348	1.543	20	30		FDEDRO
CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc1	ZINC000424123911	538241551	/nfs/dbraw/zinc/24/15/51/538241551.db2.gz	LEKWUBQNHKPYSP-SWLSCSKDSA-N	1	0	360.414	1.328	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1	ZINC000424156874	538247353	/nfs/dbraw/zinc/24/73/53/538247353.db2.gz	RJUINKXZCRNDAR-OCCSQVGLSA-N	1	0	368.359	1.948	20	30		FDEDRO
C=CCN(Cc1ccccc1F)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1	ZINC000420201552	538254826	/nfs/dbraw/zinc/25/48/26/538254826.db2.gz	FLTDTWXCNQAPNB-USXIJHARSA-N	1	0	359.445	1.845	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@@H+](C[C@@H](C)O)[C@@H](C)Cc1ccc(Cl)cc1	ZINC000441271110	538320577	/nfs/dbraw/zinc/32/05/77/538320577.db2.gz	WDCZQZCYKAPMSZ-UONOGXRCSA-N	1	0	367.877	1.966	20	30		FDEDRO
N#Cc1cncc(N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)n1	ZINC000420580160	538323452	/nfs/dbraw/zinc/32/34/52/538323452.db2.gz	DURLKDFRKVAXPT-UHFFFAOYSA-N	1	0	356.474	1.557	20	30		FDEDRO
C=CCCn1cc(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)nn1	ZINC000424637444	538336216	/nfs/dbraw/zinc/33/62/16/538336216.db2.gz	ISDNANOYOZOFDN-UHFFFAOYSA-N	1	0	370.457	1.076	20	30		FDEDRO
C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000447256164	538362568	/nfs/dbraw/zinc/36/25/68/538362568.db2.gz	KFMOKYSGUWHCBY-KOLCDFICSA-N	1	0	358.261	1.679	20	30		FDEDRO
C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H](C#N)C1	ZINC000420971670	538367933	/nfs/dbraw/zinc/36/79/33/538367933.db2.gz	IQDHBODZJHCFDX-JSGCOSHPSA-N	1	0	352.416	1.497	20	30		FDEDRO
C[NH+](C)CCOC1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1	ZINC000443255180	538394659	/nfs/dbraw/zinc/39/46/59/538394659.db2.gz	VZLNMMQXOGOJAR-UHFFFAOYSA-N	1	0	371.890	1.943	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)cc1F	ZINC000421330429	538396064	/nfs/dbraw/zinc/39/60/64/538396064.db2.gz	XKKPNVBILISPEI-UHFFFAOYSA-N	1	0	368.416	1.316	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)Nc3cc(C#N)cn3C(C)(C)C)[C@@H]2C1	ZINC000425824042	538414325	/nfs/dbraw/zinc/41/43/25/538414325.db2.gz	XWAWMCXKLGQGGK-LSDHHAIUSA-N	1	0	357.458	1.606	20	30		FDEDRO
N#Cc1ncc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1Cl	ZINC000453713818	538420152	/nfs/dbraw/zinc/42/01/52/538420152.db2.gz	VJEIYKGNEOUNDK-CYBMUJFWSA-N	1	0	361.833	1.632	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C1	ZINC000471649491	538532131	/nfs/dbraw/zinc/53/21/31/538532131.db2.gz	PQRJFFXCVZPARW-OALUTQOASA-N	1	0	354.454	1.714	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](NC(=O)N(C)C)C2)CC1	ZINC000454460411	538557791	/nfs/dbraw/zinc/55/77/91/538557791.db2.gz	IQPRFMCGBLHUAJ-MRXNPFEDSA-N	1	0	351.495	1.472	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000472281026	538615222	/nfs/dbraw/zinc/61/52/22/538615222.db2.gz	WHDUHTLWFJAYLM-LJQANCHMSA-N	1	0	358.486	1.607	20	30		FDEDRO
COCC[N@H+](C)CCCC1CCN(S(=O)(=O)N(C)CCC#N)CC1	ZINC000501178097	538632613	/nfs/dbraw/zinc/63/26/13/538632613.db2.gz	SXIMLVUVICPGJL-UHFFFAOYSA-N	1	0	360.524	1.147	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@H](OC)C2(CC)CC)CC1	ZINC000561414457	545839022	/nfs/dbraw/zinc/83/90/22/545839022.db2.gz	CDUVVEYOMKUPBD-HOTGVXAUSA-N	1	0	351.491	1.463	20	30		FDEDRO
CC[NH+]1CCC(CNC(=O)N2CCN(c3ncccc3C#N)CC2)CC1	ZINC000561487232	545871430	/nfs/dbraw/zinc/87/14/30/545871430.db2.gz	PZNYABHJBUFTJS-UHFFFAOYSA-N	1	0	356.474	1.517	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](c2ccccc2)[C@@H]2CCOC2)CC1	ZINC000562869427	546301543	/nfs/dbraw/zinc/30/15/43/546301543.db2.gz	NBNILXXSKCDKKM-MJGOQNOKSA-N	1	0	371.481	1.647	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H](CO)c2ccc(F)cc2)cc1	ZINC000563137503	546419996	/nfs/dbraw/zinc/41/99/96/546419996.db2.gz	GEOSRTXJZRDWGV-PKOBYXMFSA-N	1	0	358.413	1.997	20	30		FDEDRO
C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCC(C#N)CC2)C1	ZINC000563899495	546728792	/nfs/dbraw/zinc/72/87/92/546728792.db2.gz	YHJQGKZKAQOXBE-LJQANCHMSA-N	1	0	368.481	1.524	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)NCc3ccc(C[NH3+])cc3)CC2)c1C#N	ZINC000564081963	546800353	/nfs/dbraw/zinc/80/03/53/546800353.db2.gz	OOEDEEHFLUJSLM-UHFFFAOYSA-N	1	0	370.482	1.814	20	30		FDEDRO
CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCN(c2cccc(C#N)n2)CC1	ZINC000564263292	546862990	/nfs/dbraw/zinc/86/29/90/546862990.db2.gz	PEKLFQBHBCVXHA-MRXNPFEDSA-N	1	0	358.490	1.905	20	30		FDEDRO
CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000564857474	547070556	/nfs/dbraw/zinc/07/05/56/547070556.db2.gz	TYONRZLAPLKXJM-CVEARBPZSA-N	1	0	363.433	1.960	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(S(N)(=O)=O)c(Cl)c1	ZINC000565176537	547235404	/nfs/dbraw/zinc/23/54/04/547235404.db2.gz	FOAWNHNODLZLAC-UHFFFAOYSA-N	1	0	372.878	1.295	20	30		FDEDRO
CCN(C)C(=O)Cn1c2c(cc(C#N)c1=O)C[N@@H+](Cc1ccccc1)CC2	ZINC000565241248	547269820	/nfs/dbraw/zinc/26/98/20/547269820.db2.gz	BFEKHWILVCSJDJ-UHFFFAOYSA-N	1	0	364.449	1.757	20	30		FDEDRO
CC[NH+]1CCC(CNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC1	ZINC000565573312	547401869	/nfs/dbraw/zinc/40/18/69/547401869.db2.gz	BVQJMEUHMJUMIR-OAHLLOKOSA-N	1	0	371.489	1.300	20	30		FDEDRO
Cc1cc(S(=O)(=O)NCc2ccncc2OCC[NH+](C)C)ccc1C#N	ZINC000565853595	547507591	/nfs/dbraw/zinc/50/75/91/547507591.db2.gz	FTFAIBLVHHZQBA-UHFFFAOYSA-N	1	0	374.466	1.681	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1CCCN(C)[C@@H]1c1cccs1	ZINC000566117057	547612842	/nfs/dbraw/zinc/61/28/42/547612842.db2.gz	RUUCQFHKKLSWOK-NUJGCVRESA-N	1	0	350.532	1.927	20	30		FDEDRO
C=CCOc1ccc(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)cc1OC	ZINC000566200608	547654934	/nfs/dbraw/zinc/65/49/34/547654934.db2.gz	TVDAHVZVJUBTDN-UHFFFAOYSA-N	1	0	358.402	1.040	20	30		FDEDRO
COC[C@]1(CNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CCC[NH2+]1	ZINC000567455132	548122953	/nfs/dbraw/zinc/12/29/53/548122953.db2.gz	UVNWEUWRILOFIK-UYAOXDASSA-N	1	0	371.485	1.175	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c(F)c1	ZINC000567470554	548129410	/nfs/dbraw/zinc/12/94/10/548129410.db2.gz	FULYRZJZVBBTEQ-ZDUSSCGKSA-N	1	0	353.419	1.073	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3C[C@H]4CC[NH2+]C[C@H]4C3)n2)c(Cl)c1	ZINC000567569969	548164207	/nfs/dbraw/zinc/16/42/07/548164207.db2.gz	SOIJVCYUMXPUDY-KGLIPLIRSA-N	1	0	370.844	2.471	20	30		FDEDRO
C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)N1CCC[C@@H](C)C1	ZINC000567679198	548207928	/nfs/dbraw/zinc/20/79/28/548207928.db2.gz	OUNZILWPAGWETQ-CABCVRRESA-N	1	0	350.488	1.437	20	30		FDEDRO
CN(CCOCc1ccc(C#N)cc1)C(=O)C(=O)N1CCC(CC[NH3+])CC1	ZINC000568095166	548396112	/nfs/dbraw/zinc/39/61/12/548396112.db2.gz	VHAIUWUPWKSEGW-UHFFFAOYSA-N	1	0	372.469	1.121	20	30		FDEDRO
N#CCN1CCC(CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1	ZINC000568201233	548437011	/nfs/dbraw/zinc/43/70/11/548437011.db2.gz	KHCQIPZCLAXQFK-KRWDZBQOSA-N	1	0	350.532	1.556	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]CCNC(=O)c2ccc(Cl)cc2)cc1	ZINC000568384084	548514273	/nfs/dbraw/zinc/51/42/73/548514273.db2.gz	WIWWQWBZARWDHV-KRWDZBQOSA-N	1	0	373.840	1.971	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O	ZINC000568502138	548562882	/nfs/dbraw/zinc/56/28/82/548562882.db2.gz	MRJMGXRECFBGCY-HOTGVXAUSA-N	1	0	350.850	1.241	20	30		FDEDRO
N#CCCN(CCN1CCOCC1)C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000568529026	548575688	/nfs/dbraw/zinc/57/56/88/548575688.db2.gz	IWAXRHLAJXCGDD-FQEVSTJZSA-N	1	0	370.497	1.583	20	30		FDEDRO
CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(CC#N)cc2)C1	ZINC000568999617	548763623	/nfs/dbraw/zinc/76/36/23/548763623.db2.gz	OEISDXWYNLCEAL-SFHVURJKSA-N	1	0	356.470	1.559	20	30		FDEDRO
Cc1[nH]c(C#N)cc1C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000569187955	548826668	/nfs/dbraw/zinc/82/66/68/548826668.db2.gz	KZPSBUKUNOAOSI-IBGZPJMESA-N	1	0	351.454	1.913	20	30		FDEDRO
CC[NH2+]CCCNC(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	ZINC000569200954	548830635	/nfs/dbraw/zinc/83/06/35/548830635.db2.gz	YBVQBLYACJRXQK-UHFFFAOYSA-N	1	0	367.409	1.800	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3cnccc3C#N)CC2)C1	ZINC000569303281	548866546	/nfs/dbraw/zinc/86/65/46/548866546.db2.gz	OZYDOEUTBYYUML-MRXNPFEDSA-N	1	0	356.474	1.515	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)NC[C@H]3C[NH2+]CCO3)CC2)c(F)c1	ZINC000569579149	548968812	/nfs/dbraw/zinc/96/88/12/548968812.db2.gz	UNXRWHLLEWZQRP-OAHLLOKOSA-N	1	0	362.405	1.239	20	30		FDEDRO
CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NCc1ccc(CC#N)cc1	ZINC000569723201	549026893	/nfs/dbraw/zinc/02/68/93/549026893.db2.gz	DXAQXMCNFLXHBP-UHFFFAOYSA-N	1	0	356.470	1.703	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1	ZINC000570033588	549134900	/nfs/dbraw/zinc/13/49/00/549134900.db2.gz	AXVOWUZJQXKQFK-UHFFFAOYSA-N	1	0	370.453	1.982	20	30		FDEDRO
C=CCn1c(C2CCCC2)nnc1N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1	ZINC000570404815	549267863	/nfs/dbraw/zinc/26/78/63/549267863.db2.gz	KRHCEVHYZZBLDK-KRWDZBQOSA-N	1	0	372.517	1.912	20	30		FDEDRO
N#CCC(=O)N1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC1	ZINC000570407458	549269119	/nfs/dbraw/zinc/26/91/19/549269119.db2.gz	BWVYZIWVQOPNMA-ZDUSSCGKSA-N	1	0	372.252	1.791	20	30		FDEDRO
N#Cc1cccnc1OC1CCC(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1	ZINC000570549377	549320980	/nfs/dbraw/zinc/32/09/80/549320980.db2.gz	UVRBFDGUQZJSCL-VYMRPNJYSA-N	1	0	369.469	1.894	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC(=O)N(C3CC3)C2)c(OC)c1	ZINC000570955747	549475286	/nfs/dbraw/zinc/47/52/86/549475286.db2.gz	GNTYDYKUZZUUTN-NVXWUHKLSA-N	1	0	360.454	1.516	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+]	ZINC000571028332	549498125	/nfs/dbraw/zinc/49/81/25/549498125.db2.gz	MUTODTCJDQTQCQ-AWEZNQCLSA-N	1	0	359.430	1.418	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1	ZINC000571070120	549515875	/nfs/dbraw/zinc/51/58/75/549515875.db2.gz	GZBSAYMIMSLAPV-ZACQAIPSSA-N	1	0	351.491	1.320	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1	ZINC000571444431	549647927	/nfs/dbraw/zinc/64/79/27/549647927.db2.gz	BAROKYLVEIKWQH-RBUKOAKNSA-N	1	0	362.433	1.322	20	30		FDEDRO
C=CCN(CCOC)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000571971372	549813887	/nfs/dbraw/zinc/81/38/87/549813887.db2.gz	QUANLYUICIXMSX-LJQANCHMSA-N	1	0	360.502	1.819	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O	ZINC000572029816	549826859	/nfs/dbraw/zinc/82/68/59/549826859.db2.gz	XYVOICOAIVLJFV-CJNGLKHVSA-N	1	0	368.840	1.380	20	30		FDEDRO
CC1CC[NH+](C[C@H](O)CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1	ZINC000572140585	549851422	/nfs/dbraw/zinc/85/14/22/549851422.db2.gz	RQYJGMNPYHVNCN-GOSISDBHSA-N	1	0	359.445	1.938	20	30		FDEDRO
C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc(C#N)n1	ZINC000572155791	549854870	/nfs/dbraw/zinc/85/48/70/549854870.db2.gz	SHCDYNNISTZUKL-MRXNPFEDSA-N	1	0	351.410	1.181	20	30		FDEDRO
CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CCN(c2cccc(C#N)n2)CC1	ZINC000572227659	549868652	/nfs/dbraw/zinc/86/86/52/549868652.db2.gz	MKQPOUZLVOZAEH-MRXNPFEDSA-N	1	0	356.474	1.563	20	30		FDEDRO
CCN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C1COC1	ZINC000572353507	549895554	/nfs/dbraw/zinc/89/55/54/549895554.db2.gz	NPKQNBUHRNHBHP-SFHVURJKSA-N	1	0	360.433	1.255	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)cc1	ZINC000572356411	549896264	/nfs/dbraw/zinc/89/62/64/549896264.db2.gz	IKHOESHAZSRFKT-UYAOXDASSA-N	1	0	365.433	1.689	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2	ZINC000572454980	549917233	/nfs/dbraw/zinc/91/72/33/549917233.db2.gz	ACEXKHDIYODKMO-BNOWGMLFSA-N	1	0	361.398	1.428	20	30		FDEDRO
C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+](C)CCOCc1ccc(C#N)cc1	ZINC000572678221	549970479	/nfs/dbraw/zinc/97/04/79/549970479.db2.gz	JIPSYPNWTYTRBV-QAPCUYQASA-N	1	0	372.469	1.119	20	30		FDEDRO
Cc1cn2c(n1)[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)CCC2	ZINC000572835049	550004623	/nfs/dbraw/zinc/00/46/23/550004623.db2.gz	MQGRCSJUERPWOX-OAHLLOKOSA-N	1	0	359.455	1.399	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccn1)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000572852707	550010381	/nfs/dbraw/zinc/01/03/81/550010381.db2.gz	KPAZUVAKLYLIGC-LJQANCHMSA-N	1	0	354.454	1.757	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC[N@@H+]1C	ZINC000573420162	550132470	/nfs/dbraw/zinc/13/24/70/550132470.db2.gz	FXXMXXKPEISWGO-OLMNPRSZSA-N	1	0	369.469	1.441	20	30		FDEDRO
COc1cc(C[N@@H+]2CC[C@H](Nc3ccc(C#N)c(N)n3)C2)cc(OC)c1	ZINC000573506063	550152632	/nfs/dbraw/zinc/15/26/32/550152632.db2.gz	PLLKDKZXKFDHBL-HNNXBMFYSA-N	1	0	353.426	2.239	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)cc1	ZINC000573962943	550238620	/nfs/dbraw/zinc/23/86/20/550238620.db2.gz	PUCGOLWHFZSVDB-HNNXBMFYSA-N	1	0	354.414	1.198	20	30		FDEDRO
C=CCn1c(-c2ccoc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000574003630	550244973	/nfs/dbraw/zinc/24/49/73/550244973.db2.gz	GHYPLZYAGHBAOH-MRXNPFEDSA-N	1	0	370.457	1.467	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N(C1CC1)[C@@H]1CC[NH2+]C1	ZINC000574203269	550275192	/nfs/dbraw/zinc/27/51/92/550275192.db2.gz	ZBLHYCBXLMPKHZ-LLVKDONJSA-N	1	0	370.272	1.836	20	30		FDEDRO
COc1ccc([C@H](C[NH+](C)C)NC(=O)C(=O)Nc2cccc(C#N)n2)cc1	ZINC000574451454	550316140	/nfs/dbraw/zinc/31/61/40/550316140.db2.gz	RZSIRSMWVKLYEX-INIZCTEOSA-N	1	0	367.409	1.319	20	30		FDEDRO
C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000574620931	550343201	/nfs/dbraw/zinc/34/32/01/550343201.db2.gz	UXEHVXFIUQYXHX-FZMZJTMJSA-N	1	0	355.402	1.373	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCC2CC[NH2+]CC2)cc1Br	ZINC000574755126	550365063	/nfs/dbraw/zinc/36/50/63/550365063.db2.gz	XVZKNLYXGZONRF-UHFFFAOYSA-N	1	0	358.261	1.599	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H]([NH2+]C[C@H](O)Cc3ccc(F)cc3)C2=O)cc1	ZINC000574870916	550384162	/nfs/dbraw/zinc/38/41/62/550384162.db2.gz	ZSTJFWGRXOVHFH-WOJBJXKFSA-N	1	0	367.424	1.991	20	30		FDEDRO
CCCN(CC[NH+]1CCCCCC1)S(=O)(=O)N1CCO[C@H](C#N)C1	ZINC000576022434	550502782	/nfs/dbraw/zinc/50/27/82/550502782.db2.gz	FQZPCFVFHOSSEY-MRXNPFEDSA-N	1	0	358.508	1.044	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)ncc1C#N	ZINC000576170354	550518975	/nfs/dbraw/zinc/51/89/75/550518975.db2.gz	HQPJEOREULVJHS-DUVNUKRYSA-N	1	0	355.442	1.389	20	30		FDEDRO
C=C(C)CN1CCC([NH2+]C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1	ZINC000576628444	550569455	/nfs/dbraw/zinc/56/94/55/550569455.db2.gz	YTYVBNBGAJTIKT-GOSISDBHSA-N	1	0	372.469	1.494	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+][C@@H]3CCN(C(=O)Nc4ccccc4)C3)cnc12	ZINC000576943696	550602942	/nfs/dbraw/zinc/60/29/42/550602942.db2.gz	RVGSUNCRAAHFAU-QGZVFWFLSA-N	1	0	361.409	1.997	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](NC(=O)NCC[C@H]3CCC[NH2+]3)C2=O)cc1	ZINC000577047914	550614361	/nfs/dbraw/zinc/61/43/61/550614361.db2.gz	WLMYLWXODPPCRE-IAGOWNOFSA-N	1	0	355.442	1.100	20	30		FDEDRO
COc1ccc(C(=O)NCCN2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)cc1	ZINC000577656144	550680526	/nfs/dbraw/zinc/68/05/26/550680526.db2.gz	QBMOFOBJFWLBMJ-WMZOPIPTSA-N	1	0	356.470	1.735	20	30		FDEDRO
C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1	ZINC000577826175	550698417	/nfs/dbraw/zinc/69/84/17/550698417.db2.gz	CZOJDYMOZWMXAY-HNNXBMFYSA-N	1	0	358.494	1.735	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)C2CC2)cc1	ZINC000578200266	550738404	/nfs/dbraw/zinc/73/84/04/550738404.db2.gz	MTJXJZCYEPKNBS-UHFFFAOYSA-N	1	0	354.454	1.637	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1	ZINC000578207597	550739430	/nfs/dbraw/zinc/73/94/30/550739430.db2.gz	OJSPKSHBVNSDKV-AWEZNQCLSA-N	1	0	359.478	1.454	20	30		FDEDRO
CN1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)[C@H](C[NH3+])C1	ZINC000578423730	550761609	/nfs/dbraw/zinc/76/16/09/550761609.db2.gz	XSHFUVOTSCXABV-GFCCVEGCSA-N	1	0	352.236	1.427	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000578838151	550806512	/nfs/dbraw/zinc/80/65/12/550806512.db2.gz	LKIYVZWFQHEAAV-QRVBRYPASA-N	1	0	358.486	1.618	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)NCC#Cc1cccc(F)c1)[NH+]1CCN(C)CC1	ZINC000579262592	550853646	/nfs/dbraw/zinc/85/36/46/550853646.db2.gz	PHDHBVIJPYLKBG-LJQANCHMSA-N	1	0	360.477	1.748	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000579650429	550895845	/nfs/dbraw/zinc/89/58/45/550895845.db2.gz	BIRLGJWKCRCVSA-QXAKKESOSA-N	1	0	370.497	1.841	20	30		FDEDRO
C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000579688586	550899453	/nfs/dbraw/zinc/89/94/53/550899453.db2.gz	SBYKXVFBNWIDAC-RISCZKNCSA-N	1	0	372.404	2.118	20	30		FDEDRO
CCc1cnccc1[C@H](C)[NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000579880596	550919778	/nfs/dbraw/zinc/91/97/78/550919778.db2.gz	BTFDWBPYTDXSKD-LPHOPBHVSA-N	1	0	357.502	1.987	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1	ZINC000580072486	550940759	/nfs/dbraw/zinc/94/07/59/550940759.db2.gz	JSJNAADEVKPXCN-UHFFFAOYSA-N	1	0	368.481	1.846	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+][C@@H]3CCN(C(=O)CCc4ccccc4)C3)cnc12	ZINC000580075307	550940933	/nfs/dbraw/zinc/94/09/33/550940933.db2.gz	CVDRTXGPBYSVFD-LJQANCHMSA-N	1	0	374.448	1.924	20	30		FDEDRO
C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CCC(Oc2ncccc2C#N)CC1	ZINC000580192403	550953306	/nfs/dbraw/zinc/95/33/06/550953306.db2.gz	NAHSNFMEDPXVLK-VRLRAXNCSA-N	1	0	373.457	1.001	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)cc1	ZINC000580533368	550991943	/nfs/dbraw/zinc/99/19/43/550991943.db2.gz	WMRLVKJOAOWQFW-MSOLQXFVSA-N	1	0	357.454	1.775	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)n1	ZINC000580549826	550993794	/nfs/dbraw/zinc/99/37/94/550993794.db2.gz	MYBXYZVLHOCGAS-INIZCTEOSA-N	1	0	355.442	1.805	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000580902114	551031195	/nfs/dbraw/zinc/03/11/95/551031195.db2.gz	GVQHFAGIOZZFRZ-KRWDZBQOSA-N	1	0	354.454	1.507	20	30		FDEDRO
Cc1ccc(C[C@H](CO)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1C	ZINC000581011961	551043166	/nfs/dbraw/zinc/04/31/66/551043166.db2.gz	SYLWKXXONPUCAI-GOSISDBHSA-N	1	0	373.478	1.537	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN(CCC(=O)Nc2sccc2C#N)CC1	ZINC000581079708	551049893	/nfs/dbraw/zinc/04/98/93/551049893.db2.gz	GPBKXAVGFBCRLP-UHFFFAOYSA-N	1	0	350.488	1.773	20	30		FDEDRO
CS(=O)(=O)CC1CCC([NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000581305968	551074166	/nfs/dbraw/zinc/07/41/66/551074166.db2.gz	GVULPILGTFPCHP-JCYILVPMSA-N	1	0	366.483	1.491	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)CC2)cc1	ZINC000581364273	551080703	/nfs/dbraw/zinc/08/07/03/551080703.db2.gz	SUPVYWUTOLCOBF-RBUKOAKNSA-N	1	0	364.449	1.384	20	30		FDEDRO
CC(C)(C)OC(=O)CC[N@H+](CC(=O)NC1(C#N)CCC1)C1CCOCC1	ZINC000582604173	551246928	/nfs/dbraw/zinc/24/69/28/551246928.db2.gz	PXTBIRWSQIUWKX-UHFFFAOYSA-N	1	0	365.474	1.762	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCN(c3ncccc3C#N)CC2)C1	ZINC000582950160	551284388	/nfs/dbraw/zinc/28/43/88/551284388.db2.gz	WFVOYAVKBZMYKO-INIZCTEOSA-N	1	0	356.474	1.517	20	30		FDEDRO
C[NH2+]CCCC(=O)N1CCC(NC(=O)NCc2ccc(CC#N)cc2)CC1	ZINC000583214998	551320334	/nfs/dbraw/zinc/32/03/34/551320334.db2.gz	KZUHIGSMHHKTIA-UHFFFAOYSA-N	1	0	371.485	1.542	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCC[N@H+]1CC=CCC1	ZINC000583477424	551357366	/nfs/dbraw/zinc/35/73/66/551357366.db2.gz	SYZACIAHZPWARD-UHFFFAOYSA-N	1	0	351.414	1.831	20	30		FDEDRO
Cc1nnc([C@H]2CC[N@@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)[nH]1	ZINC000583739105	551394352	/nfs/dbraw/zinc/39/43/52/551394352.db2.gz	ALKYYCHRKGDEDW-RDJZCZTQSA-N	1	0	350.426	1.970	20	30		FDEDRO
COCCN1CCC([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000584168063	551457684	/nfs/dbraw/zinc/45/76/84/551457684.db2.gz	QXDMVTYKGMVUNN-UHFFFAOYSA-N	1	0	351.472	1.032	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2OC(F)F)CC1	ZINC000584223367	551466148	/nfs/dbraw/zinc/46/61/48/551466148.db2.gz	FKKWMVWXYUZCQF-ZIAGYGMSSA-N	1	0	359.417	1.420	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)NCC[C@H]3CCC[NH2+]C3)C2=O)cc1	ZINC000584400177	551491117	/nfs/dbraw/zinc/49/11/17/551491117.db2.gz	GQYURMZUJNGGSF-AEFFLSMTSA-N	1	0	369.469	1.348	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccc(C#N)cc1	ZINC000585713202	551586047	/nfs/dbraw/zinc/58/60/47/551586047.db2.gz	LIUJPZDLVGNCOU-OAHLLOKOSA-N	1	0	363.421	1.479	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1	ZINC000585725575	551588349	/nfs/dbraw/zinc/58/83/49/551588349.db2.gz	XFDMWLLTDZWYDG-MOPGFXCFSA-N	1	0	366.465	1.816	20	30		FDEDRO
C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCc1ccc(C#N)cc1F	ZINC000585777724	551598288	/nfs/dbraw/zinc/59/82/88/551598288.db2.gz	RLKLRVIOBOQCFN-QLFBSQMISA-N	1	0	374.460	1.796	20	30		FDEDRO
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H](C)CC[NH+](C)C	ZINC000586812006	551621261	/nfs/dbraw/zinc/62/12/61/551621261.db2.gz	KOBACPXTMZNPFV-INIZCTEOSA-N	1	0	358.486	1.999	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C#N)c1	ZINC000587715715	551634749	/nfs/dbraw/zinc/63/47/49/551634749.db2.gz	FZTCYXIOISPZJS-XHSDSOJGSA-N	1	0	372.469	1.351	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)CC1	ZINC000587731473	551635245	/nfs/dbraw/zinc/63/52/45/551635245.db2.gz	PAYNPKURUCQRBR-OAHLLOKOSA-N	1	0	354.454	1.892	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1cccc(C#N)c1	ZINC000587732203	551635665	/nfs/dbraw/zinc/63/56/65/551635665.db2.gz	RWINDCGJZMZRME-YJBOKZPZSA-N	1	0	354.454	1.822	20	30		FDEDRO
Cc1cc(C#N)cc(NCCCC[NH+]2CCN(c3ncccn3)CC2)n1	ZINC000587872716	551636001	/nfs/dbraw/zinc/63/60/01/551636001.db2.gz	BGDHXLLVJIREBA-UHFFFAOYSA-N	1	0	351.458	2.066	20	30		FDEDRO
COc1ccccc1[C@@H](CNC(=O)NCC(=O)NCC#N)[NH+]1CCCCC1	ZINC000588141673	551652812	/nfs/dbraw/zinc/65/28/12/551652812.db2.gz	HNIKWADCOIXSIC-MRXNPFEDSA-N	1	0	373.457	1.161	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)cc1	ZINC000588212840	551658323	/nfs/dbraw/zinc/65/83/23/551658323.db2.gz	XNDSDZZVPQUAJA-ROUUACIJSA-N	1	0	357.454	1.437	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCC[N@H+](C)C2)cc1	ZINC000588293347	551664891	/nfs/dbraw/zinc/66/48/91/551664891.db2.gz	HKRGAZKHBUSTLL-OCCSQVGLSA-N	1	0	350.444	1.588	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)c2cc(O)cc(C#N)c2)CC1	ZINC000589188036	551716437	/nfs/dbraw/zinc/71/64/37/551716437.db2.gz	IPVYOAMKNDXPLF-UHFFFAOYSA-N	1	0	372.469	1.620	20	30		FDEDRO
CC(C)[NH+]1CCN(C2CCN(C(=O)c3cc(O)cc(C#N)c3)CC2)CC1	ZINC000589195635	551716788	/nfs/dbraw/zinc/71/67/88/551716788.db2.gz	NPWMBPIPJOUORP-UHFFFAOYSA-N	1	0	356.470	1.894	20	30		FDEDRO
CSC1(CNS(=O)(=O)c2cccc(C)c2C#N)CC[NH+](C)CC1	ZINC000589295610	551723901	/nfs/dbraw/zinc/72/39/01/551723901.db2.gz	YWCWHWKARBAEEF-UHFFFAOYSA-N	1	0	353.513	1.972	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2snc(C)c2C#N)CC1	ZINC000589642336	551739963	/nfs/dbraw/zinc/73/99/63/551739963.db2.gz	IYGZDMFNYKJTGY-CQSZACIVSA-N	1	0	362.503	1.639	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1	ZINC000589831862	551746931	/nfs/dbraw/zinc/74/69/31/551746931.db2.gz	PLKWCALPSLDHCJ-UHFFFAOYSA-N	1	0	357.458	1.804	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1	ZINC000590243132	551767183	/nfs/dbraw/zinc/76/71/83/551767183.db2.gz	LALPPYPBBKZIOG-QGZVFWFLSA-N	1	0	355.486	1.523	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C	ZINC000590402213	551780703	/nfs/dbraw/zinc/78/07/03/551780703.db2.gz	AEUIQOCGURLNKV-WMLDXEAASA-N	1	0	354.458	1.701	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@H]([NH+](C)C)[C@H]1C	ZINC000590402208	551780717	/nfs/dbraw/zinc/78/07/17/551780717.db2.gz	AEUIQOCGURLNKV-PBHICJAKSA-N	1	0	354.458	1.701	20	30		FDEDRO
CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1	ZINC000590831708	551820866	/nfs/dbraw/zinc/82/08/66/551820866.db2.gz	MZYBIKLANOXOCM-ZFWWWQNUSA-N	1	0	364.471	1.930	20	30		FDEDRO
C[C@@H]([NH2+]CCCn1c(=O)c2c(ncn2C)n(C)c1=O)c1cccc(C#N)c1	ZINC000591022992	551836607	/nfs/dbraw/zinc/83/66/07/551836607.db2.gz	OMPBMKSQLKJIBP-CYBMUJFWSA-N	1	0	366.425	1.046	20	30		FDEDRO
COCCN(CCC#N)C(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1	ZINC000591284978	551856118	/nfs/dbraw/zinc/85/61/18/551856118.db2.gz	PAMYHTGOXQJKBZ-UHFFFAOYSA-N	1	0	372.347	1.491	20	30		FDEDRO
C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1	ZINC000591289642	551856564	/nfs/dbraw/zinc/85/65/64/551856564.db2.gz	KBOPKAJPFYCLGS-HNNXBMFYSA-N	1	0	365.393	1.504	20	30		FDEDRO
N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)cn2)c1	ZINC000591288865	551856631	/nfs/dbraw/zinc/85/66/31/551856631.db2.gz	DEDZBWACDDHUKJ-CQSZACIVSA-N	1	0	365.393	1.634	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CCO1	ZINC000591297777	551857969	/nfs/dbraw/zinc/85/79/69/551857969.db2.gz	SPODLKPJKLQZGD-NHYWBVRUSA-N	1	0	374.832	1.977	20	30		FDEDRO
CC1([NH3+])CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1	ZINC000591303210	551858851	/nfs/dbraw/zinc/85/88/51/551858851.db2.gz	NJMLUPLHRWRGKK-UHFFFAOYSA-N	1	0	352.341	1.438	20	30		FDEDRO
CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC[C@@H]1[NH3+]	ZINC000591304102	551859229	/nfs/dbraw/zinc/85/92/29/551859229.db2.gz	NLJQKAWEEVEAFG-CJNGLKHVSA-N	1	0	358.442	1.870	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)C[C@@H](c1ccccc1)[NH+](C)C	ZINC000591319688	551861170	/nfs/dbraw/zinc/86/11/70/551861170.db2.gz	VFBVQPWYAOVLSZ-KRWDZBQOSA-N	1	0	354.458	1.948	20	30		FDEDRO
CCC([NH3+])(CC)CNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000591359589	551865900	/nfs/dbraw/zinc/86/59/00/551865900.db2.gz	CNQPVIJYSSHTHC-UHFFFAOYSA-N	1	0	360.462	1.773	20	30		FDEDRO
N#Cc1cccc(OC2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]CC3)CC2)c1	ZINC000591423365	551869548	/nfs/dbraw/zinc/86/95/48/551869548.db2.gz	XBNRFZQBWHDGBQ-MRXNPFEDSA-N	1	0	370.453	1.186	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1	ZINC000591576910	551880946	/nfs/dbraw/zinc/88/09/46/551880946.db2.gz	MOJRDVJOTAEHCG-ROUUACIJSA-N	1	0	352.438	1.283	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1	ZINC000591728335	551903685	/nfs/dbraw/zinc/90/36/85/551903685.db2.gz	OHMHTABJGPTRFI-GOEBONIOSA-N	1	0	352.429	1.587	20	30		FDEDRO
COc1cc(CC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)ccc1O	ZINC000591756577	551906217	/nfs/dbraw/zinc/90/62/17/551906217.db2.gz	FYMKWUBGWQJMMS-UHFFFAOYSA-N	1	0	360.435	1.878	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH2+]C[C@H](O)COC3CCOCC3)C2=O)cc1	ZINC000591758775	551906618	/nfs/dbraw/zinc/90/66/18/551906618.db2.gz	KFPMEXIWSUDJNN-HKUYNNGSSA-N	1	0	373.453	1.200	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]Cc2cccc(N3CCOCC3)n2)cc1	ZINC000591761061	551906923	/nfs/dbraw/zinc/90/69/23/551906923.db2.gz	JMGUQGBQUORSFV-GOSISDBHSA-N	1	0	368.437	1.319	20	30		FDEDRO
Cn1cnc(CCCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1	ZINC000592054814	551933139	/nfs/dbraw/zinc/93/31/39/551933139.db2.gz	CWXZVVPWYJADDN-UHFFFAOYSA-N	1	0	369.473	1.393	20	30		FDEDRO
Cc1cc(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c(C#N)cc1N(C)C	ZINC000592257203	551968619	/nfs/dbraw/zinc/96/86/19/551968619.db2.gz	XNIGRYBQWWXFGG-AWEZNQCLSA-N	1	0	372.473	1.516	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(CC(=O)NC)cc2)CC1	ZINC000592359068	551984118	/nfs/dbraw/zinc/98/41/18/551984118.db2.gz	DRUSPXRRTZKDBA-UHFFFAOYSA-N	1	0	372.469	1.070	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CCO1	ZINC000592374297	551985582	/nfs/dbraw/zinc/98/55/82/551985582.db2.gz	KVHDDJKHOVOUCM-RNCFNFMXSA-N	1	0	363.361	1.314	20	30		FDEDRO
CC(C)[C@H]1CN(S(=O)(=O)c2cccc(Br)c2C#N)CC[NH2+]1	ZINC000592380978	551986091	/nfs/dbraw/zinc/98/60/91/551986091.db2.gz	XHRWINLITJGHHT-CYBMUJFWSA-N	1	0	372.288	1.939	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)cc1Br	ZINC000592390320	551988412	/nfs/dbraw/zinc/98/84/12/551988412.db2.gz	QJUFOHLINRKZSS-ZDUSSCGKSA-N	1	0	370.272	1.741	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCCc3c2cnn3CCO)cc1	ZINC000592429297	551994085	/nfs/dbraw/zinc/99/40/85/551994085.db2.gz	FTCHQPQZQNILIK-QGZVFWFLSA-N	1	0	374.466	1.188	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1	ZINC000593148986	552067776	/nfs/dbraw/zinc/06/77/76/552067776.db2.gz	AXJJYWAFVJWNBL-UHFFFAOYSA-N	1	0	373.457	1.583	20	30		FDEDRO
C[NH+](C)CCN1CCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1=O	ZINC000593234352	552075321	/nfs/dbraw/zinc/07/53/21/552075321.db2.gz	FUTISLUDWYENJK-UHFFFAOYSA-N	1	0	360.433	1.207	20	30		FDEDRO
C[NH+](C)CCN1CCN(C(=O)CSCc2ccc(C#N)cc2)CC1=O	ZINC000593235776	552075352	/nfs/dbraw/zinc/07/53/52/552075352.db2.gz	YVRKXDYXGLIRMY-UHFFFAOYSA-N	1	0	360.483	1.024	20	30		FDEDRO
C[C@H](Cn1cncn1)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593332644	552091003	/nfs/dbraw/zinc/09/10/03/552091003.db2.gz	DEKXDPKJTHCJTG-OAHLLOKOSA-N	1	0	367.457	1.502	20	30		FDEDRO
CN1CCC([N@@H+]2CC[C@H](NC(=O)N3Cc4cccc(C#N)c4C3)C2)CC1	ZINC000593351012	552094237	/nfs/dbraw/zinc/09/42/37/552094237.db2.gz	ZMPRHLKPGDYVFD-KRWDZBQOSA-N	1	0	353.470	1.752	20	30		FDEDRO
C[NH+](C)CCN1CCN(c2ccc(C#N)cc2Br)CC1=O	ZINC000593486253	552116300	/nfs/dbraw/zinc/11/63/00/552116300.db2.gz	RLMSBUPYCGQCKZ-UHFFFAOYSA-N	1	0	351.248	1.531	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCC[C@@H](CO)C3)CC2)c1	ZINC000593508532	552119618	/nfs/dbraw/zinc/11/96/18/552119618.db2.gz	HNLMSFZZXREBFC-GOSISDBHSA-N	1	0	356.470	1.937	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NCC(F)(F)CO)CC2)c1	ZINC000593514096	552120588	/nfs/dbraw/zinc/12/05/88/552120588.db2.gz	PAKINJAOWHISKF-UHFFFAOYSA-N	1	0	352.385	1.449	20	30		FDEDRO
CC(=O)NCCN(C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593516899	552121228	/nfs/dbraw/zinc/12/12/28/552121228.db2.gz	POVPMSFNOJWYSL-UHFFFAOYSA-N	1	0	357.458	1.300	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCCC[NH+]1CCCCC1	ZINC000593527535	552123556	/nfs/dbraw/zinc/12/35/56/552123556.db2.gz	ZQBOAZDANMORKI-UHFFFAOYSA-N	1	0	365.455	1.499	20	30		FDEDRO
CN(CCN(C)S(=O)(=O)c1ccsc1C#N)C1CC[NH+](C)CC1	ZINC000593535229	552125739	/nfs/dbraw/zinc/12/57/39/552125739.db2.gz	TYNNZUYEIPOIGB-UHFFFAOYSA-N	1	0	356.517	1.266	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H]([NH+](C)C)C1	ZINC000593541254	552127716	/nfs/dbraw/zinc/12/77/16/552127716.db2.gz	IUQRWTQAZKDMAI-ZDUSSCGKSA-N	1	0	351.428	1.060	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)cc1C(=O)OC	ZINC000593541742	552127914	/nfs/dbraw/zinc/12/79/14/552127914.db2.gz	NRRJIGOPVNYXOO-CQSZACIVSA-N	1	0	365.455	1.498	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1	ZINC000593543865	552128736	/nfs/dbraw/zinc/12/87/36/552128736.db2.gz	QZVFYACZFORDRO-MRXNPFEDSA-N	1	0	365.499	1.877	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2sc(C)cc2C(=O)OC)CC1	ZINC000593556570	552132798	/nfs/dbraw/zinc/13/27/98/552132798.db2.gz	KRTCBBDLIYVTRN-UHFFFAOYSA-N	1	0	365.455	1.548	20	30		FDEDRO
N#CCCCS(=O)(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21	ZINC000593636676	552158675	/nfs/dbraw/zinc/15/86/75/552158675.db2.gz	XIGVQUVTAHLGQP-MSOLQXFVSA-N	1	0	363.483	1.595	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000593738218	552187606	/nfs/dbraw/zinc/18/76/06/552187606.db2.gz	XONHATNIGYDQQP-ULQDDVLXSA-N	1	0	363.483	1.774	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@H]1C[NH3+]	ZINC000593758123	552192513	/nfs/dbraw/zinc/19/25/13/552192513.db2.gz	QVXBGSXYQZQRIJ-BXUZGUMPSA-N	1	0	354.357	1.987	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)ccc1F	ZINC000593766339	552194262	/nfs/dbraw/zinc/19/42/62/552194262.db2.gz	GNFHYNRQSUMTPC-QEORTHHSSA-N	1	0	374.416	1.381	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)C3(C(=O)NC4CC4)CC3)CC2)c1	ZINC000593884314	552216675	/nfs/dbraw/zinc/21/66/75/552216675.db2.gz	WPGQGOROVMUYJN-UHFFFAOYSA-N	1	0	366.465	1.698	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccnc4n[nH]nc43)CC2)c1	ZINC000593886105	552217321	/nfs/dbraw/zinc/21/73/21/552217321.db2.gz	OFADMVSWUREXAW-UHFFFAOYSA-N	1	0	361.409	1.619	20	30		FDEDRO
N#CCC(=O)N1CCN(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1	ZINC000594003482	552236801	/nfs/dbraw/zinc/23/68/01/552236801.db2.gz	LCBVBTKKTHDVAM-IBGZPJMESA-N	1	0	356.470	1.335	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC1(c2ccc(C#N)cc2)CCC1	ZINC000594221974	552266656	/nfs/dbraw/zinc/26/66/56/552266656.db2.gz	VGVLXUDBZCOXJD-MRXNPFEDSA-N	1	0	355.486	1.873	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N1CCN(c2ncnc3ccsc32)CC1	ZINC000594438285	552309833	/nfs/dbraw/zinc/30/98/33/552309833.db2.gz	NSAMKQYMESKMGK-ZDUSSCGKSA-N	1	0	358.471	1.751	20	30		FDEDRO
C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)[C@@H]([NH3+])CCCCC#N	ZINC000594438806	552310679	/nfs/dbraw/zinc/31/06/79/552310679.db2.gz	LVCBWOAERKLEAN-MJGOQNOKSA-N	1	0	357.502	1.725	20	30		FDEDRO
CN1CCN(C(=O)c2ccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)cc2)CC1	ZINC000594440489	552311145	/nfs/dbraw/zinc/31/11/45/552311145.db2.gz	DJLQBMMAGBZHEP-SFHVURJKSA-N	1	0	371.485	1.102	20	30		FDEDRO
COCCOc1ccccc1N1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1	ZINC000594445403	552311509	/nfs/dbraw/zinc/31/15/09/552311509.db2.gz	JWUIUCCAVQVYLS-KRWDZBQOSA-N	1	0	374.485	1.772	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1	ZINC000594446070	552312012	/nfs/dbraw/zinc/31/20/12/552312012.db2.gz	PCEAFXPSNQTPBX-QZTJIDSGSA-N	1	0	362.449	1.726	20	30		FDEDRO
CC(C)C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1nc(-c2nc[nH]n2)no1	ZINC000594446197	552312075	/nfs/dbraw/zinc/31/20/75/552312075.db2.gz	OHMGTDKJYMNMLB-NEPJUHHUSA-N	1	0	360.422	1.469	20	30		FDEDRO
CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)[C@@H]([NH3+])CCCCC#N	ZINC000594446692	552312313	/nfs/dbraw/zinc/31/23/13/552312313.db2.gz	RLHDJPBYBFVPJG-HOCLYGCPSA-N	1	0	351.472	1.766	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N1CCn2c(Cc3cccc(F)c3)nnc2C1	ZINC000594451709	552313089	/nfs/dbraw/zinc/31/30/89/552313089.db2.gz	BQANYMXRKGZNCV-INIZCTEOSA-N	1	0	370.432	1.761	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000594482749	552322754	/nfs/dbraw/zinc/32/27/54/552322754.db2.gz	FEIKMKNIUPSBLQ-DZGCQCFKSA-N	1	0	364.427	1.762	20	30		FDEDRO
C=CCCOCC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000594498144	552326006	/nfs/dbraw/zinc/32/60/06/552326006.db2.gz	OEYAJOFIOKDJBY-GOSISDBHSA-N	1	0	359.470	1.593	20	30		FDEDRO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F	ZINC000594532741	552329632	/nfs/dbraw/zinc/32/96/32/552329632.db2.gz	TZPHZKLCFQVDQG-JOYOIKCWSA-N	1	0	374.388	1.883	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)NCC1CC[NH+](C2CCOCC2)CC1	ZINC000594800811	552390106	/nfs/dbraw/zinc/39/01/06/552390106.db2.gz	KXUWQGJDZBAHFS-HNNXBMFYSA-N	1	0	372.535	1.193	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+]C[C@]3(OCCO)CCOC3)CC2)cc1	ZINC000594974487	552429959	/nfs/dbraw/zinc/42/99/59/552429959.db2.gz	KFEMZZCFYZFOJO-HXUWFJFHSA-N	1	0	359.470	1.280	20	30		FDEDRO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)CC1C[NH+](C)C1	ZINC000595151747	552468752	/nfs/dbraw/zinc/46/87/52/552468752.db2.gz	HWEVUIJHXFYYDL-ZDUSSCGKSA-N	1	0	360.483	1.897	20	30		FDEDRO
N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)c1	ZINC000595152909	552469312	/nfs/dbraw/zinc/46/93/12/552469312.db2.gz	LSVCQYNDSGRMJH-CYBMUJFWSA-N	1	0	362.817	1.083	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N1CC[C@@](C)(C#N)C1	ZINC000595163346	552473450	/nfs/dbraw/zinc/47/34/50/552473450.db2.gz	JVUOJXHQDCHQQI-UWJYYQICSA-N	1	0	368.481	1.872	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1	ZINC000595239590	552502458	/nfs/dbraw/zinc/50/24/58/552502458.db2.gz	DKDMCEWRVTWEGC-INIZCTEOSA-N	1	0	370.453	1.744	20	30		FDEDRO
CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	ZINC000595240669	552502743	/nfs/dbraw/zinc/50/27/43/552502743.db2.gz	VCMCSAIWQBSNIQ-UHFFFAOYSA-N	1	0	367.409	1.880	20	30		FDEDRO
N#Cc1cccc(C2(NC(=O)COC3CCC([NH3+])CC3)CCOCC2)c1	ZINC000595258027	552506611	/nfs/dbraw/zinc/50/66/11/552506611.db2.gz	QOVPDXOPEWBBMG-UHFFFAOYSA-N	1	0	357.454	1.967	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1	ZINC000595261218	552507069	/nfs/dbraw/zinc/50/70/69/552507069.db2.gz	LZWZKGAVSFEVNM-UHFFFAOYSA-N	1	0	372.454	1.245	20	30		FDEDRO
C[NH2+]C[C@H](C)NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000595276194	552510359	/nfs/dbraw/zinc/51/03/59/552510359.db2.gz	VPRTXCKDRNIHPF-ZDUSSCGKSA-N	1	0	355.446	1.166	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CCCCC1	ZINC000595277910	552510741	/nfs/dbraw/zinc/51/07/41/552510741.db2.gz	HRAUXNVHZPEERR-DLBZAZTESA-N	1	0	372.444	1.669	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1	ZINC000595284202	552511518	/nfs/dbraw/zinc/51/15/18/552511518.db2.gz	OJRATNFIGUPVGS-INIZCTEOSA-N	1	0	353.532	1.650	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1	ZINC000595285075	552511861	/nfs/dbraw/zinc/51/18/61/552511861.db2.gz	ZMUZXDHMLQQHRE-HOTGVXAUSA-N	1	0	369.531	1.157	20	30		FDEDRO
N#Cc1ccc(CC[N@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1	ZINC000595423874	552557110	/nfs/dbraw/zinc/55/71/10/552557110.db2.gz	DGQIGQYFPXLJNZ-SFHVURJKSA-N	1	0	363.483	1.227	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@@]3(CC[N@H+](C)C3)C2)CC1	ZINC000595505439	552574525	/nfs/dbraw/zinc/57/45/25/552574525.db2.gz	UGQZAICUWLTGEL-ICSRJNTNSA-N	1	0	361.534	1.096	20	30		FDEDRO
CC(C)(C)OC(=O)CC1([NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)CCOCC1	ZINC000595545489	552581780	/nfs/dbraw/zinc/58/17/80/552581780.db2.gz	BVSMQROJTBPNHH-SFHVURJKSA-N	1	0	365.474	1.665	20	30		FDEDRO
N#Cc1ccc(OCC[NH+]2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000595551897	552583199	/nfs/dbraw/zinc/58/31/99/552583199.db2.gz	ZIEIKTJJBVSQDV-UHFFFAOYSA-N	1	0	358.442	1.443	20	30		FDEDRO
CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@@H](CC#N)C2)cc1	ZINC000595609103	552592083	/nfs/dbraw/zinc/59/20/83/552592083.db2.gz	GJWKADVCRQNYQV-HNNXBMFYSA-N	1	0	351.472	1.941	20	30		FDEDRO
CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)C1	ZINC000595630897	552595164	/nfs/dbraw/zinc/59/51/64/552595164.db2.gz	CIIVEWHTPGWHTD-GVDBMIGSSA-N	1	0	351.491	1.827	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)C1	ZINC000595704259	552604568	/nfs/dbraw/zinc/60/45/68/552604568.db2.gz	RIJOAGDGSDUWRS-INIZCTEOSA-N	1	0	356.474	1.658	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CC[NH+](CC4(CO)COC4)CC3)n[nH]2)cc1	ZINC000595726588	552607322	/nfs/dbraw/zinc/60/73/22/552607322.db2.gz	PYHNZYMMYWZJLR-UHFFFAOYSA-N	1	0	353.426	1.079	20	30		FDEDRO
CCOC[C@H](O)C[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595726209	552607446	/nfs/dbraw/zinc/60/74/46/552607446.db2.gz	NEVLLXRFLJRONL-QGZVFWFLSA-N	1	0	355.442	1.468	20	30		FDEDRO
N#Cc1cccc(C2([NH2+]CC(=O)N3CCOC[C@H]3C3CC3)CCOCC2)c1	ZINC000595764698	552612952	/nfs/dbraw/zinc/61/29/52/552612952.db2.gz	LSJSDILCKRNBGM-IBGZPJMESA-N	1	0	369.465	1.791	20	30		FDEDRO
CC1(C)NC(=O)N(CCC[NH2+]C2(c3cccc(C#N)c3)CCOCC2)C1=O	ZINC000595771635	552613564	/nfs/dbraw/zinc/61/35/64/552613564.db2.gz	AKTLHBRYJGGEPG-UHFFFAOYSA-N	1	0	370.453	1.874	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@@H](CN4CCCC4=O)C3)C2=O)cc1	ZINC000595828900	552621050	/nfs/dbraw/zinc/62/10/50/552621050.db2.gz	MRAYSQJCEHSDHX-IEBWSBKVSA-N	1	0	366.465	1.998	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000595904185	552631113	/nfs/dbraw/zinc/63/11/13/552631113.db2.gz	ACZJMOKWQFGQPI-DLBZAZTESA-N	1	0	350.507	1.760	20	30		FDEDRO
CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCN(c3ccsc3C#N)CC2)C1(C)C	ZINC000595936515	552635658	/nfs/dbraw/zinc/63/56/58/552635658.db2.gz	BARZKLUKWDJYML-CRAIPNDOSA-N	1	0	362.499	1.801	20	30		FDEDRO
C[C@@H](C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)[C@H](C)[NH3+]	ZINC000595970174	552640253	/nfs/dbraw/zinc/64/02/53/552640253.db2.gz	LBSHCVVANRVMAK-KGLIPLIRSA-N	1	0	352.442	1.580	20	30		FDEDRO
CC(C)(C)[C@H]([NH3+])C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595969927	552640293	/nfs/dbraw/zinc/64/02/93/552640293.db2.gz	IWZOJIABRBUAJG-GOSISDBHSA-N	1	0	366.469	1.970	20	30		FDEDRO
N#Cc1cc(F)c(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1Br	ZINC000596014093	552644248	/nfs/dbraw/zinc/64/42/48/552644248.db2.gz	MSUQRXXWDMMJSM-SKDRFNHKSA-N	1	0	353.195	1.208	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1	ZINC000596066627	552651868	/nfs/dbraw/zinc/65/18/68/552651868.db2.gz	UOQONFBNDMFJBV-KRWDZBQOSA-N	1	0	363.483	1.175	20	30		FDEDRO
CCc1nc(C#N)cc(NCCC[NH+]2CCN(c3ccccc3)CC2)n1	ZINC000596079154	552653335	/nfs/dbraw/zinc/65/33/35/552653335.db2.gz	JJPUTYSTQSIYHB-UHFFFAOYSA-N	1	0	350.470	2.535	20	30		FDEDRO
C[C@]1(NC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC[NH2+]C1	ZINC000596127769	552658314	/nfs/dbraw/zinc/65/83/14/552658314.db2.gz	AFHKTSIRJNENJU-AWEZNQCLSA-N	1	0	356.304	1.264	20	30		FDEDRO
C[C@]1(NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC[NH2+]C1	ZINC000596129136	552658385	/nfs/dbraw/zinc/65/83/85/552658385.db2.gz	NVRQOQHTOMAOBN-AWEZNQCLSA-N	1	0	351.204	1.127	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1	ZINC000596408864	552677064	/nfs/dbraw/zinc/67/70/64/552677064.db2.gz	LLMOACBBRGWDHB-KRWDZBQOSA-N	1	0	358.442	1.178	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1Cl	ZINC000596594689	552692758	/nfs/dbraw/zinc/69/27/58/552692758.db2.gz	KGIURYIEXVHLTK-MRXNPFEDSA-N	1	0	362.861	1.952	20	30		FDEDRO
C=CCCSCCNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1	ZINC000596718118	552704643	/nfs/dbraw/zinc/70/46/43/552704643.db2.gz	WIKSQOJWUZEXGB-DLBZAZTESA-N	1	0	354.564	1.963	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(C#N)cc1	ZINC000597184603	552758578	/nfs/dbraw/zinc/75/85/78/552758578.db2.gz	LUJBSBFZQDNQDW-KBXCAEBGSA-N	1	0	370.453	1.105	20	30		FDEDRO
N#CCCn1cc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c(-c2ccncc2)n1	ZINC000597204331	552760094	/nfs/dbraw/zinc/76/00/94/552760094.db2.gz	AIQURGFAKGKLOR-WMZOPIPTSA-N	1	0	364.453	1.959	20	30		FDEDRO
Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000597273399	552768379	/nfs/dbraw/zinc/76/83/79/552768379.db2.gz	FUCKLDZZPZZGJG-QGZVFWFLSA-N	1	0	354.458	1.901	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1	ZINC000597347690	552778092	/nfs/dbraw/zinc/77/80/92/552778092.db2.gz	ROWWMBMMOPVZOE-SFHVURJKSA-N	1	0	368.481	1.892	20	30		FDEDRO
C[C@@H](C#N)CN(C)c1nnc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1C[C@H]1CCOC1	ZINC000597365661	552780255	/nfs/dbraw/zinc/78/02/55/552780255.db2.gz	AORBHGHIMKMUNG-HZMVEIRTSA-N	1	0	374.489	1.446	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NCC1(C#N)CCCCC1	ZINC000597395662	552783813	/nfs/dbraw/zinc/78/38/13/552783813.db2.gz	BKCBMWZXZBZZBX-UHFFFAOYSA-N	1	0	360.458	1.760	20	30		FDEDRO
CC(C)(C#N)CNC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1	ZINC000597433223	552788446	/nfs/dbraw/zinc/78/84/46/552788446.db2.gz	PLWBVXAJTCXKMX-CQSZACIVSA-N	1	0	359.478	1.258	20	30		FDEDRO
Cc1ncc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(N)n1	ZINC000597473862	552793523	/nfs/dbraw/zinc/79/35/23/552793523.db2.gz	CSXUITKPCAFZBW-UHFFFAOYSA-N	1	0	350.426	1.655	20	30		FDEDRO
N#CC1(CC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)CCOCC1	ZINC000597497576	552796135	/nfs/dbraw/zinc/79/61/35/552796135.db2.gz	JJYZTKBUHDKKFY-LJQANCHMSA-N	1	0	371.481	1.970	20	30		FDEDRO
COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CC1(C#N)CCCCC1	ZINC000597613124	552812043	/nfs/dbraw/zinc/81/20/43/552812043.db2.gz	POEAWVOBKXKPLS-UHFFFAOYSA-N	1	0	364.490	1.100	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)c3cc(F)c(C#N)c(F)c3)CC2)C1=O	ZINC000597651654	552817749	/nfs/dbraw/zinc/81/77/49/552817749.db2.gz	DWQMGJHLSJVKLS-INIZCTEOSA-N	1	0	362.380	1.261	20	30		FDEDRO
C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(-n3ncc(C#N)c3N)cc1)C2	ZINC000597716650	552825855	/nfs/dbraw/zinc/82/58/55/552825855.db2.gz	RDMCTZVUWBMGPL-FQEVSTJZSA-N	1	0	364.453	1.884	20	30		FDEDRO
C=CCCSCCNC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1	ZINC000597972678	552852545	/nfs/dbraw/zinc/85/25/45/552852545.db2.gz	OTLSJSUNVYAECA-HZPDHXFCSA-N	1	0	353.532	1.745	20	30		FDEDRO
Cc1cc(C(=O)NCCN(C)CCC[NH+](C)C)nn1-c1cccc(C#N)c1	ZINC000597990209	552852991	/nfs/dbraw/zinc/85/29/91/552852991.db2.gz	RGRAURMIKWYJHD-UHFFFAOYSA-N	1	0	368.485	1.666	20	30		FDEDRO
N#Cc1cc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cnc1C(F)(F)F	ZINC000598451296	552896725	/nfs/dbraw/zinc/89/67/25/552896725.db2.gz	SNRMIVZWBLFGFU-CQSZACIVSA-N	1	0	368.359	1.643	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2	ZINC000598725791	552928509	/nfs/dbraw/zinc/92/85/09/552928509.db2.gz	PHXDXNFSBYUFAI-OTWHNJEPSA-N	1	0	370.497	1.476	20	30		FDEDRO
C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]C[C@@H](O)CC(C)(C)C#N	ZINC000598727346	552928529	/nfs/dbraw/zinc/92/85/29/552928529.db2.gz	HBEOJJBFYDSRQF-CABCVRRESA-N	1	0	353.488	1.634	20	30		FDEDRO
CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)CC(C)(C)C#N)s1	ZINC000598729090	552928573	/nfs/dbraw/zinc/92/85/73/552928573.db2.gz	ZENCVXDPUXFFDE-UTUOFQBUSA-N	1	0	353.492	1.954	20	30		FDEDRO
Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC1(C[NH3+])CCOCC1	ZINC000599101218	552967730	/nfs/dbraw/zinc/96/77/30/552967730.db2.gz	AULRUQNZFXVYKR-UHFFFAOYSA-N	1	0	365.480	1.868	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)CCOCC1	ZINC000599256354	553005301	/nfs/dbraw/zinc/00/53/01/553005301.db2.gz	JUVUEWTXYBGSLY-LJQANCHMSA-N	1	0	371.481	1.906	20	30		FDEDRO
COc1ccccc1CN1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1	ZINC000599281006	553013713	/nfs/dbraw/zinc/01/37/13/553013713.db2.gz	MPCXYCVLKJEHIK-LJQANCHMSA-N	1	0	373.497	1.884	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)CCOCC1	ZINC000599281746	553014452	/nfs/dbraw/zinc/01/44/52/553014452.db2.gz	KHTBFPPLXDZWCP-ZWKOTPCHSA-N	1	0	357.454	1.621	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)CCOCC1	ZINC000599302471	553020648	/nfs/dbraw/zinc/02/06/48/553020648.db2.gz	CYYCIGRRMOEULG-QZTJIDSGSA-N	1	0	351.491	1.244	20	30		FDEDRO
COC(=O)c1ccc2c(c1)C[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)CC2	ZINC000599346457	553033290	/nfs/dbraw/zinc/03/32/90/553033290.db2.gz	KDNYIBBQAPDQDS-SFHVURJKSA-N	1	0	358.438	1.903	20	30		FDEDRO
COC(=O)C[C@@](C)([NH2+]C[C@@H](O)COc1ccccc1C#N)c1ccccn1	ZINC000599382072	553041142	/nfs/dbraw/zinc/04/11/42/553041142.db2.gz	SDEHHIVSCKSAOO-OXQOHEQNSA-N	1	0	369.421	1.761	20	30		FDEDRO
COC(=O)C[C@](C)([NH2+]C[C@H](O)COc1ccccc1C#N)c1ccncc1	ZINC000599417469	553052319	/nfs/dbraw/zinc/05/23/19/553052319.db2.gz	MUXXMAASSJEXIZ-PXNSSMCTSA-N	1	0	369.421	1.761	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1	ZINC000599606909	553101914	/nfs/dbraw/zinc/10/19/14/553101914.db2.gz	QETWCMQURPUFBM-MBNYWOFBSA-N	1	0	350.444	1.634	20	30		FDEDRO
COC(=O)[C@@H]1CC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)[C@@H]2CCC[C@H]21	ZINC000599645378	553111866	/nfs/dbraw/zinc/11/18/66/553111866.db2.gz	FDSVUOWVOWUHHC-YYIAUSFCSA-N	1	0	350.459	1.721	20	30		FDEDRO
COC(=O)CCN1CCC[C@@H]([N@@H+]2CCc3c(CC#N)cccc3C2)C1=O	ZINC000599678137	553120209	/nfs/dbraw/zinc/12/02/09/553120209.db2.gz	ORHLMAKBQBICLJ-GOSISDBHSA-N	1	0	355.438	1.665	20	30		FDEDRO
COc1cc(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c(F)cc1C#N	ZINC000599809287	553153778	/nfs/dbraw/zinc/15/37/78/553153778.db2.gz	HWVJRRCVQDHGGU-ZDUSSCGKSA-N	1	0	350.394	1.674	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)c1ccc(C#N)cc1	ZINC000599868683	553163911	/nfs/dbraw/zinc/16/39/11/553163911.db2.gz	WQIOCLRKWAHSLD-CYBMUJFWSA-N	1	0	364.405	1.856	20	30		FDEDRO
C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	ZINC000599903681	553171670	/nfs/dbraw/zinc/17/16/70/553171670.db2.gz	JMKDQBOVTXCTOG-GXFFZTMASA-N	1	0	355.423	1.487	20	30		FDEDRO
N#Cc1ccc(OC2CCC(NC(=O)NCCOCCC[NH3+])CC2)nc1	ZINC000599920868	553174258	/nfs/dbraw/zinc/17/42/58/553174258.db2.gz	OHXIDPHVZLAIPL-UHFFFAOYSA-N	1	0	361.446	1.308	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NCCC[N@H+](C)C(C)C)c(F)cc1C#N	ZINC000599932180	553176524	/nfs/dbraw/zinc/17/65/24/553176524.db2.gz	NNXQFQJBUBUDBJ-UHFFFAOYSA-N	1	0	350.394	1.491	20	30		FDEDRO
N#Cc1cccc(-n2ccc(C(=O)N3CC[C@H]([N@@H+]4CC[C@@H](O)C4)C3)n2)c1	ZINC000599939462	553179388	/nfs/dbraw/zinc/17/93/88/553179388.db2.gz	IWIXCASBDFAGFE-DLBZAZTESA-N	1	0	351.410	1.025	20	30		FDEDRO
N#Cc1cccc(-c2cc(C(=O)N3CC[C@@H]([N@@H+]4CC[C@@H](O)C4)C3)on2)c1	ZINC000599939417	553179406	/nfs/dbraw/zinc/17/94/06/553179406.db2.gz	IIZRUSVDIXPCJU-HZPDHXFCSA-N	1	0	352.394	1.494	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)cnc1C(F)(F)F	ZINC000599939353	553179545	/nfs/dbraw/zinc/17/95/45/553179545.db2.gz	HUKGJWOFPHUQPI-STQMWFEESA-N	1	0	354.332	1.253	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2	ZINC000599957794	553185459	/nfs/dbraw/zinc/18/54/59/553185459.db2.gz	FKYORPWFBFAGEX-KRWDZBQOSA-N	1	0	354.454	1.698	20	30		FDEDRO
C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C[NH2+]1	ZINC000599961384	553186657	/nfs/dbraw/zinc/18/66/57/553186657.db2.gz	BNRDSRLVERASPE-ZBFHGGJFSA-N	1	0	370.453	1.185	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)c(OC)c1OC	ZINC000600716303	553306256	/nfs/dbraw/zinc/30/62/56/553306256.db2.gz	DQFNWVWEEULQSK-OAHLLOKOSA-N	1	0	364.442	1.873	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)CC1	ZINC000600717280	553306323	/nfs/dbraw/zinc/30/63/23/553306323.db2.gz	JPXNHBRMCRSTKL-CYBMUJFWSA-N	1	0	357.863	1.263	20	30		FDEDRO
COc1cc(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)ccc1OCCO	ZINC000600716894	553306427	/nfs/dbraw/zinc/30/64/27/553306427.db2.gz	NCHUYMIAGDWDPS-MRXNPFEDSA-N	1	0	364.442	1.227	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]CCN1C(=O)c2ccccc2C1=O	ZINC000600719724	553306604	/nfs/dbraw/zinc/30/66/04/553306604.db2.gz	KFNKKXIPGNDACB-OAHLLOKOSA-N	1	0	365.389	1.184	20	30		FDEDRO
CCC(CC)[C@H](C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)N1CCOCC1	ZINC000600719929	553306639	/nfs/dbraw/zinc/30/66/39/553306639.db2.gz	VNTZBANPHVFKCO-OALUTQOASA-N	1	0	367.534	1.784	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)CC1	ZINC000600719423	553306812	/nfs/dbraw/zinc/30/68/12/553306812.db2.gz	DRBJSPHLCCFOSZ-MSOLQXFVSA-N	1	0	357.454	1.740	20	30		FDEDRO
CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+]C[C@@H](O)CC1(C#N)CC1	ZINC000600722716	553307096	/nfs/dbraw/zinc/30/70/96/553307096.db2.gz	SZRYMLWTVZYLCY-HNNXBMFYSA-N	1	0	365.499	1.908	20	30		FDEDRO
CCOc1ccc(NC(=O)C[NH2+]C[C@@H](O)COc2ccccc2C#N)cc1	ZINC000600722764	553307243	/nfs/dbraw/zinc/30/72/43/553307243.db2.gz	UHFIIKRONMQXSS-QGZVFWFLSA-N	1	0	369.421	1.925	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)CCOCC1	ZINC000600727740	553307908	/nfs/dbraw/zinc/30/79/08/553307908.db2.gz	LXOGOSGYWTYBCA-STQMWFEESA-N	1	0	363.380	1.201	20	30		FDEDRO
CCS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2C#N)cc1	ZINC000600733308	553308974	/nfs/dbraw/zinc/30/89/74/553308974.db2.gz	YQFCATGSUKKUPQ-QGZVFWFLSA-N	1	0	374.462	1.881	20	30		FDEDRO
COCCS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)CC2(C#N)CC2)cc1	ZINC000600735789	553309432	/nfs/dbraw/zinc/30/94/32/553309432.db2.gz	VIKLIRLPYCBJGE-HNNXBMFYSA-N	1	0	352.456	1.251	20	30		FDEDRO
C[C@@]1(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)COc2ccccc2O1	ZINC000600749387	553310823	/nfs/dbraw/zinc/31/08/23/553310823.db2.gz	XMLOJYXNFRSDRE-GOSISDBHSA-N	1	0	373.434	1.547	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1	ZINC000600755276	553311556	/nfs/dbraw/zinc/31/15/56/553311556.db2.gz	BGOJGZKGHHBURQ-GJZGRUSLSA-N	1	0	354.857	1.854	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1	ZINC000600755271	553311721	/nfs/dbraw/zinc/31/17/21/553311721.db2.gz	BGOJGZKGHHBURQ-CABCVRRESA-N	1	0	354.857	1.854	20	30		FDEDRO
N#Cc1ccc(CN2CCC[N@@H+](C[C@@H](O)CC3(O)CCOCC3)CC2)cc1	ZINC000600846291	553321496	/nfs/dbraw/zinc/32/14/96/553321496.db2.gz	PDLQBIFHULFTFR-FQEVSTJZSA-N	1	0	373.497	1.358	20	30		FDEDRO
N#CCc1ccccc1S(=O)(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1	ZINC000601341935	553380010	/nfs/dbraw/zinc/38/00/10/553380010.db2.gz	MCSLYZORZDMHCD-FUHWJXTLSA-N	1	0	363.483	1.660	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C[C@H]1C[NH3+]	ZINC000601346185	553381408	/nfs/dbraw/zinc/38/14/08/553381408.db2.gz	NQSQHSJMKUFDFI-MWLCHTKSSA-N	1	0	358.261	1.536	20	30		FDEDRO
C[NH+](C)C1(CNS(=O)(=O)c2cc(Br)cc(C#N)c2)CC1	ZINC000601448911	553408839	/nfs/dbraw/zinc/40/88/39/553408839.db2.gz	SCXPNVDGMURFSQ-UHFFFAOYSA-N	1	0	358.261	1.693	20	30		FDEDRO
C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1ccccc1CC#N	ZINC000601464546	553413375	/nfs/dbraw/zinc/41/33/75/553413375.db2.gz	QIQXIQCTKBCDSD-HNNXBMFYSA-N	1	0	352.504	1.303	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000601482359	553417253	/nfs/dbraw/zinc/41/72/53/553417253.db2.gz	TWJSFQLQMCQHHJ-JFIYKMOQSA-N	1	0	364.515	1.823	20	30		FDEDRO
C[NH+](C)CCCOc1ccc(CNC(=O)N2CCN(CCC#N)CC2)cc1	ZINC000601570361	553437611	/nfs/dbraw/zinc/43/76/11/553437611.db2.gz	GHJPQBUYZCCLDU-UHFFFAOYSA-N	1	0	373.501	1.758	20	30		FDEDRO
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000601575920	553438439	/nfs/dbraw/zinc/43/84/39/553438439.db2.gz	SMQZXUFVGAPLOC-MCIONIFRSA-N	1	0	358.467	1.982	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Br	ZINC000601575743	553438517	/nfs/dbraw/zinc/43/85/17/553438517.db2.gz	SBTXPWJROCXSSW-TXEJJXNPSA-N	1	0	363.215	1.222	20	30		FDEDRO
C[C@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)n1cnc(C#N)n1	ZINC000601704646	553459842	/nfs/dbraw/zinc/45/98/42/553459842.db2.gz	IIEXUSITERGFNQ-INMHGKMJSA-N	1	0	352.442	1.595	20	30		FDEDRO
N#Cc1c(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[nH]nc1N1CCOCC1	ZINC000601742688	553467681	/nfs/dbraw/zinc/46/76/81/553467681.db2.gz	XWSDHWVSHVOTMV-OAHLLOKOSA-N	1	0	358.446	1.463	20	30		FDEDRO
C[C@](O)(C[C@@H](O)C[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CC1	ZINC000601962767	553496592	/nfs/dbraw/zinc/49/65/92/553496592.db2.gz	APYHHFJPVLMDLW-GGPKGHCWSA-N	1	0	357.454	1.161	20	30		FDEDRO
CN(C(=O)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)[C@@H]1CCC[C@H]1C#N	ZINC000602061542	553511153	/nfs/dbraw/zinc/51/11/53/553511153.db2.gz	GHVUXUJJULUAPH-XJKSGUPXSA-N	1	0	358.446	1.239	20	30		FDEDRO
C[NH+](C)CCn1c2cc(C(=O)N[C@@]3(C#N)CCSC3)ccc2[nH]c1=O	ZINC000602086231	553516712	/nfs/dbraw/zinc/51/67/12/553516712.db2.gz	NHWVPDBOXHXLKW-QGZVFWFLSA-N	1	0	359.455	1.433	20	30		FDEDRO
CN1CCCC[C@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1=O	ZINC000602140338	553526614	/nfs/dbraw/zinc/52/66/14/553526614.db2.gz	HRHGLEAYMICILC-GOSISDBHSA-N	1	0	368.481	1.919	20	30		FDEDRO
N#Cc1ccccc1NC1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1	ZINC000602191106	553536473	/nfs/dbraw/zinc/53/64/73/553536473.db2.gz	KDVCQHHNSJWZFG-IBGZPJMESA-N	1	0	353.470	1.351	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c(F)c1	ZINC000602247544	553548212	/nfs/dbraw/zinc/54/82/12/553548212.db2.gz	VSPKMJKVBYUQKF-MRXNPFEDSA-N	1	0	358.417	1.447	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@@H](O)[C@@H]3CCCO3)CC2)c1	ZINC000602331723	553564858	/nfs/dbraw/zinc/56/48/58/553564858.db2.gz	HWLNOXAIGUOJEN-MOPGFXCFSA-N	1	0	372.469	1.362	20	30		FDEDRO
N#Cc1ccccc1N1CCC[N@@H+](Cc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000602446934	553583171	/nfs/dbraw/zinc/58/31/71/553583171.db2.gz	GVXLKGJOMKOELO-UHFFFAOYSA-N	1	0	370.478	1.918	20	30		FDEDRO
Cn1cc(C[NH+]2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)c(-c2ccc(C#N)cc2)n1	ZINC000602725945	553627689	/nfs/dbraw/zinc/62/76/89/553627689.db2.gz	RRZBYGCMNKIISQ-WOJBJXKFSA-N	1	0	363.421	1.443	20	30		FDEDRO
Cc1ncc(CNC(=O)CC[NH+]2CCN(c3cccc(C#N)n3)CC2)s1	ZINC000602809105	553642651	/nfs/dbraw/zinc/64/26/51/553642651.db2.gz	FRAFLWRGEURTAM-UHFFFAOYSA-N	1	0	370.482	1.547	20	30		FDEDRO
C[C@H]1C[NH+](CCC(=O)NC(=O)NCc2ccccc2)C[C@H](C)N1CC#N	ZINC000602855548	553651722	/nfs/dbraw/zinc/65/17/22/553651722.db2.gz	IAAQZTINHVPAGQ-HOTGVXAUSA-N	1	0	357.458	1.321	20	30		FDEDRO
CNC(=O)c1cc(O[C@@H]2CCC[N@H+](CCC(=O)N(C)CCC#N)C2)ccn1	ZINC000602863950	553654591	/nfs/dbraw/zinc/65/45/91/553654591.db2.gz	OVCMWVVBDHZYCA-MRXNPFEDSA-N	1	0	373.457	1.047	20	30		FDEDRO
C[C@@H](C(=O)NC(=O)NCc1ccccc1)N1C[C@@H](C)N(CC#N)[C@@H](C)C1	ZINC000602866364	553655186	/nfs/dbraw/zinc/65/51/86/553655186.db2.gz	VRPODQWWZSCJHI-XHSDSOJGSA-N	1	0	357.458	1.319	20	30		FDEDRO
Cc1sc(NC(=O)CN2CCC[C@@](O)(C[NH+](C)C)C2)c(C#N)c1C	ZINC000602893834	553662870	/nfs/dbraw/zinc/66/28/70/553662870.db2.gz	WIFJKIQSLANNIF-QGZVFWFLSA-N	1	0	350.488	1.564	20	30		FDEDRO
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCN(C)C[C@@H]1CO	ZINC000602905363	553665890	/nfs/dbraw/zinc/66/58/90/553665890.db2.gz	NLOCRKXOKQSBNV-LSDHHAIUSA-N	1	0	362.499	1.628	20	30		FDEDRO
Cc1cc(N(CCC#N)C(=O)CN2C[C@H](O)C[C@@]2(C)CO)ccc1Cl	ZINC000602905119	553665916	/nfs/dbraw/zinc/66/59/16/553665916.db2.gz	FXTLDMSCXCEAFF-QAPCUYQASA-N	1	0	365.861	1.713	20	30		FDEDRO
CS(=O)(=O)N1CCC[C@H](C[NH+]2CCC(c3ccc(C#N)cn3)CC2)C1	ZINC000602910476	553667074	/nfs/dbraw/zinc/66/70/74/553667074.db2.gz	SKBVXXXONQBZLG-MRXNPFEDSA-N	1	0	362.499	1.804	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)CN1CC2(CCCC2)OC[C@H]1C[NH+](C)C	ZINC000602912314	553667494	/nfs/dbraw/zinc/66/74/94/553667494.db2.gz	IUDYZHNPVNCRHU-SJLPKXTDSA-N	1	0	350.507	1.616	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F	ZINC000603145082	553715343	/nfs/dbraw/zinc/71/53/43/553715343.db2.gz	MDGQYLOREWOCEC-GOEBONIOSA-N	1	0	357.376	1.873	20	30		FDEDRO
N#Cc1ccc(Br)c(Cn2cc(CN3CC[NH2+]CC3)nn2)c1	ZINC000603241264	553740397	/nfs/dbraw/zinc/74/03/97/553740397.db2.gz	IYECJQQFOPFHSO-UHFFFAOYSA-N	1	0	361.247	1.366	20	30		FDEDRO
CC[NH2+]Cc1ccn(Cc2cn(CCCOc3cccc(C#N)c3)nn2)n1	ZINC000603242642	553741033	/nfs/dbraw/zinc/74/10/33/553741033.db2.gz	OESQXDCTDXIMBE-UHFFFAOYSA-N	1	0	365.441	1.973	20	30		FDEDRO
CC(C)(CC#N)CNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000603437062	553788663	/nfs/dbraw/zinc/78/86/63/553788663.db2.gz	VBZRBLJYTDFNSP-MRXNPFEDSA-N	1	0	351.495	1.022	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCN1C(=O)CCC1=O	ZINC000603669249	553809102	/nfs/dbraw/zinc/80/91/02/553809102.db2.gz	SDNSGZZAPRKXDH-UHFFFAOYSA-N	1	0	370.453	1.378	20	30		FDEDRO
CCn1c(SCC(=O)NC2(C#N)CC[NH+](C)CC2)nnc1-c1ccco1	ZINC000603885951	553824037	/nfs/dbraw/zinc/82/40/37/553824037.db2.gz	IIGBJPDTOZVVKW-UHFFFAOYSA-N	1	0	374.470	1.754	20	30		FDEDRO
C[C@@H]1CN(C[C@H](O)C[N@@H+]2CCCN(c3ccccc3C#N)CC2)C[C@@H](C)O1	ZINC000604416344	553875437	/nfs/dbraw/zinc/87/54/37/553875437.db2.gz	UQGLQAPIZVZIRF-QWFCFKBJSA-N	1	0	372.513	1.540	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(c2cc[nH+]cc2)CC1	ZINC000604514640	553883058	/nfs/dbraw/zinc/88/30/58/553883058.db2.gz	CWUJUFWAROUZBJ-UHFFFAOYSA-N	1	0	365.437	1.952	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1	ZINC000604573613	553890891	/nfs/dbraw/zinc/89/08/91/553890891.db2.gz	YCMWJBQBUHPNSJ-QGZVFWFLSA-N	1	0	373.453	1.659	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1	ZINC000606092977	554043035	/nfs/dbraw/zinc/04/30/35/554043035.db2.gz	IJDAYYQWWJFIHR-ZDUSSCGKSA-N	1	0	373.457	1.532	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](C)C[C@H]3C)cc2C1=O	ZINC000607515596	554159806	/nfs/dbraw/zinc/15/98/06/554159806.db2.gz	UWJOJPCRLFZVLF-CXAGYDPISA-N	1	0	355.438	1.881	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1	ZINC000608744545	554314579	/nfs/dbraw/zinc/31/45/79/554314579.db2.gz	QHTHOQSGNUKIKA-CVEARBPZSA-N	1	0	363.483	1.460	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC000608866998	554326285	/nfs/dbraw/zinc/32/62/85/554326285.db2.gz	GIQHMDPSMLPTBD-ZBFHGGJFSA-N	1	0	358.442	1.029	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)COc2ccc(C#N)cc2OC)CC1	ZINC000608891498	554327680	/nfs/dbraw/zinc/32/76/80/554327680.db2.gz	MOAAGZLSHPRIBX-UHFFFAOYSA-N	1	0	361.442	1.563	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1	ZINC000609458837	554379283	/nfs/dbraw/zinc/37/92/83/554379283.db2.gz	ZBWGPMGCCRVLSK-VQTJNVASSA-N	1	0	369.513	1.986	20	30		FDEDRO
N#C[C@H]1CN(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CCO1	ZINC000609556786	554392798	/nfs/dbraw/zinc/39/27/98/554392798.db2.gz	DFEBTHMBYCNWPO-SFHVURJKSA-N	1	0	358.442	1.595	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](C)C1CC[NH+](C)CC1	ZINC000609583485	554397604	/nfs/dbraw/zinc/39/76/04/554397604.db2.gz	LJRDJIKIDKGLQH-CYBMUJFWSA-N	1	0	368.485	1.997	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)NCCCN1CCC[N@@H+](C)CC1	ZINC000609624112	554404152	/nfs/dbraw/zinc/40/41/52/554404152.db2.gz	ZHRUUAMDHJGZHW-UHFFFAOYSA-N	1	0	374.533	1.490	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]2C(=O)NCCC[NH+]2CCC(O)CC2)cc1	ZINC000609883313	554433484	/nfs/dbraw/zinc/43/34/84/554433484.db2.gz	IGRREBWQTDZBRE-IBGZPJMESA-N	1	0	356.470	1.490	20	30		FDEDRO
C[NH+]1CCN(C(C)(C)CNC(=O)NC2(c3cccc(C#N)c3)CC2)CC1	ZINC000610985790	554590973	/nfs/dbraw/zinc/59/09/73/554590973.db2.gz	WEMFMOJKTYLFFD-UHFFFAOYSA-N	1	0	355.486	1.873	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000611222773	554616787	/nfs/dbraw/zinc/61/67/87/554616787.db2.gz	DQUJMGXGKFIQML-QKCSRTOESA-N	1	0	360.483	1.940	20	30		FDEDRO
N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1	ZINC000611390733	554630675	/nfs/dbraw/zinc/63/06/75/554630675.db2.gz	ABOFLQOQQHRMPN-IBGZPJMESA-N	1	0	362.433	1.941	20	30		FDEDRO
C[N@@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C[C@@H](O)C1CC1	ZINC000611430299	554632967	/nfs/dbraw/zinc/63/29/67/554632967.db2.gz	WJIFSQGWTHJVHK-RTBURBONSA-N	1	0	374.460	1.237	20	30		FDEDRO
C=C(C)CN(C)c1nnc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1C[C@H]1CCOC1	ZINC000612152754	554742673	/nfs/dbraw/zinc/74/26/73/554742673.db2.gz	RBPICRBWLFORAN-ZACQAIPSSA-N	1	0	361.490	1.863	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCOCC3(CCOCC3)C2)cc1	ZINC000612188656	554747436	/nfs/dbraw/zinc/74/74/36/554747436.db2.gz	KOALKMDKZYWYFE-GOSISDBHSA-N	1	0	360.454	1.621	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)cc1	ZINC000612830371	554847287	/nfs/dbraw/zinc/84/72/87/554847287.db2.gz	NJJGSLBDLFTSSN-IRXDYDNUSA-N	1	0	358.442	1.028	20	30		FDEDRO
C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc2ccccc2n1CC#N	ZINC000613690321	554955091	/nfs/dbraw/zinc/95/50/91/554955091.db2.gz	NCMNTUMQGXJRNA-INIZCTEOSA-N	1	0	353.470	1.921	20	30		FDEDRO
CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	ZINC000615007169	555148106	/nfs/dbraw/zinc/14/81/06/555148106.db2.gz	DMNPTJBLUYWZQM-UHFFFAOYSA-N	1	0	367.409	1.704	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccccc2CNC(=O)N2CC[C@@](F)(C#N)C2)CC1	ZINC000615534402	555208790	/nfs/dbraw/zinc/20/87/90/555208790.db2.gz	ALMFILWRLVKRLN-HXUWFJFHSA-N	1	0	373.476	1.971	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1	ZINC000617356145	555423779	/nfs/dbraw/zinc/42/37/79/555423779.db2.gz	BLCHOTLVBOCKDV-OAHLLOKOSA-N	1	0	365.499	1.754	20	30		FDEDRO
COC1(CO)CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1	ZINC000618551384	555648561	/nfs/dbraw/zinc/64/85/61/555648561.db2.gz	ZVLIAKQXPXSONW-UHFFFAOYSA-N	1	0	363.483	1.910	20	30		FDEDRO
C[NH+](C)C1CCN(CCNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC1	ZINC000618824420	555683306	/nfs/dbraw/zinc/68/33/06/555683306.db2.gz	RKQBTTZHQZEMMW-LJQANCHMSA-N	1	0	355.486	1.871	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(C(=O)N[C@H]3CCc4cc(C#N)ccc43)CC2)C1	ZINC000618842666	555687633	/nfs/dbraw/zinc/68/76/33/555687633.db2.gz	OYSUOBJXNVALFG-ICSRJNTNSA-N	1	0	367.497	1.967	20	30		FDEDRO
C[N@@H+]1CCCN(CCCNC(=O)c2cc(-c3cccc(C#N)c3)no2)CC1	ZINC000619114261	555726731	/nfs/dbraw/zinc/72/67/31/555726731.db2.gz	DTVOFGRICGYLGS-UHFFFAOYSA-N	1	0	367.453	1.971	20	30		FDEDRO
CC(C)[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)C(=O)N(C)Cc1nnc2n1CCC2	ZINC000619431971	555775491	/nfs/dbraw/zinc/77/54/91/555775491.db2.gz	HXKXDOWBPZYSQB-VKJFTORMSA-N	1	0	358.490	1.879	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2cccc(CC#N)c2)CC1	ZINC000619482692	555784910	/nfs/dbraw/zinc/78/49/10/555784910.db2.gz	MVIZODQOHFOUIW-UHFFFAOYSA-N	1	0	365.499	1.920	20	30		FDEDRO
C[C@@H](C(=O)N1CCCC1)N1CC[NH+](CCCC2(C#N)CCOCC2)CC1	ZINC000619620765	555810560	/nfs/dbraw/zinc/81/05/60/555810560.db2.gz	IWCORYAXVGLKEX-SFHVURJKSA-N	1	0	362.518	1.715	20	30		FDEDRO
C=C(C)Cn1c(COC)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1	ZINC000619829930	555841588	/nfs/dbraw/zinc/84/15/88/555841588.db2.gz	HGCMTPXJKMSSHV-QGZVFWFLSA-N	1	0	362.522	1.605	20	30		FDEDRO
C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1	ZINC000627735503	557483145	/nfs/dbraw/zinc/48/31/45/557483145.db2.gz	UXFKHCUIAJFLGL-QGZVFWFLSA-N	1	0	370.497	1.797	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)c1	ZINC000632369008	558141665	/nfs/dbraw/zinc/14/16/65/558141665.db2.gz	MCWATUQGLLLPEF-CJNGLKHVSA-N	1	0	351.472	1.316	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[N@@H+](CC)C[C@H]2C)c1	ZINC000632450106	558155522	/nfs/dbraw/zinc/15/55/22/558155522.db2.gz	SZNHEQARCDAJJF-OAHLLOKOSA-N	1	0	365.499	1.707	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3Cc3cccc(C#N)c3)C[C@@H]21	ZINC000452974934	568086446	/nfs/dbraw/zinc/08/64/46/568086446.db2.gz	MPTHFSSCXRZQEF-SQNIBIBYSA-N	1	0	352.438	1.212	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000636834088	568124356	/nfs/dbraw/zinc/12/43/56/568124356.db2.gz	SYVSFOONVLZCLK-SJORKVTESA-N	1	0	365.518	1.589	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2C1=O	ZINC000525799943	568428202	/nfs/dbraw/zinc/42/82/02/568428202.db2.gz	UHJYJFGUAPFOKE-CABCVRRESA-N	1	0	353.422	1.777	20	30		FDEDRO
C=CCC1([NH2+]CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CCCC1	ZINC000661866665	568545301	/nfs/dbraw/zinc/54/53/01/568545301.db2.gz	SYRPOHHLFRZQIY-UHFFFAOYSA-N	1	0	359.536	1.641	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CSCc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000735425591	598361525	/nfs/dbraw/zinc/36/15/25/598361525.db2.gz	CGUZNCWJQPCCDS-UHFFFAOYSA-N	1	0	372.498	1.867	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccccc2-c2nn[nH]n2)CC1	ZINC000735426533	598361755	/nfs/dbraw/zinc/36/17/55/598361755.db2.gz	RIDZHOYDPKFPFY-ZDUSSCGKSA-N	1	0	356.430	1.401	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)ccc1F	ZINC000272648048	674463906	/nfs/dbraw/zinc/46/39/06/674463906.db2.gz	YPXMWTVDKWTZND-NWDGAFQWSA-N	1	0	355.435	1.112	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@@H](C)[C@H](c1ccccc1)N1CCOCC1	ZINC000272800507	674475662	/nfs/dbraw/zinc/47/56/62/674475662.db2.gz	BJYJMYGIGMVQMM-FUHWJXTLSA-N	1	0	352.500	1.639	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1	ZINC000272954493	674491900	/nfs/dbraw/zinc/49/19/00/674491900.db2.gz	KPPBRWWNHVZBNM-INIZCTEOSA-N	1	0	367.515	1.797	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1	ZINC000821584468	606658363	/nfs/dbraw/zinc/65/83/63/606658363.db2.gz	FNGCBYQPDFFICK-UHFFFAOYSA-N	1	0	360.397	1.705	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1ccc(F)c(C#N)c1	ZINC000825934738	608035494	/nfs/dbraw/zinc/03/54/94/608035494.db2.gz	RDJXQVUIGJLTJN-UHFFFAOYSA-N	1	0	355.381	1.247	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000825915432	608207504	/nfs/dbraw/zinc/20/75/04/608207504.db2.gz	ZLMFXOIIHSBTBI-UHFFFAOYSA-N	1	0	365.441	1.718	20	30		FDEDRO
C[C@](C#N)(NC(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)C1CC1	ZINC000824034782	608528712	/nfs/dbraw/zinc/52/87/12/608528712.db2.gz	PCZLTSUYWUBTQG-QGZVFWFLSA-N	1	0	351.414	1.254	20	30		FDEDRO
C#CCSCC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1	ZINC000823861915	609339029	/nfs/dbraw/zinc/33/90/29/609339029.db2.gz	SVILUYMOPIJUIP-UHFFFAOYSA-N	1	0	353.455	1.723	20	30		FDEDRO
Cc1cc(S(=O)(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)ccc1C#N	ZINC000278302495	675119172	/nfs/dbraw/zinc/11/91/72/675119172.db2.gz	CZMKOHSTUKAEQM-UHFFFAOYSA-N	1	0	360.439	1.391	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCCN1S(C)(=O)=O)C(C)C	ZINC000046049188	670989520	/nfs/dbraw/zinc/98/95/20/670989520.db2.gz	PTBUNMBANIXWCF-HZPDHXFCSA-N	1	0	357.520	1.225	20	30		FDEDRO
C=CCc1cc(OCC)cc(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)c1O	ZINC000057085988	671259828	/nfs/dbraw/zinc/25/98/28/671259828.db2.gz	XUTBUGWPFOCADH-UHFFFAOYSA-N	1	0	368.499	1.987	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2ncc(C)s2)CC1	ZINC000286632477	675897939	/nfs/dbraw/zinc/89/79/39/675897939.db2.gz	MMAWTPKRDYCVBQ-CYBMUJFWSA-N	1	0	350.488	1.785	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)o1	ZINC000286736142	675901670	/nfs/dbraw/zinc/90/16/70/675901670.db2.gz	CMAQALLHWNAGRW-INIZCTEOSA-N	1	0	359.451	1.994	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(Cl)cc2OC)CC1	ZINC000286843066	675909181	/nfs/dbraw/zinc/90/91/81/675909181.db2.gz	YIMZTVQTEPQIBO-UHFFFAOYSA-N	1	0	365.861	1.731	20	30		FDEDRO
CC[NH+]=C(NCCNS(C)(=O)=O)N1CC2(CCCC2)c2ccccc21	ZINC000085709472	671481910	/nfs/dbraw/zinc/48/19/10/671481910.db2.gz	SHWLMJQFWJCCJV-UHFFFAOYSA-N	1	0	364.515	1.833	20	30		FDEDRO
CC[NH+]=C(NCC1CCSCC1)N1CC[C@H](CN2CCOCC2)C1	ZINC000086916871	671484319	/nfs/dbraw/zinc/48/43/19/671484319.db2.gz	CGTVKZHWLBNRSA-QGZVFWFLSA-N	1	0	354.564	1.749	20	30		FDEDRO
CC(C)COCCCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000089120195	671491693	/nfs/dbraw/zinc/49/16/93/671491693.db2.gz	URUHEQKJGLVAPB-HNNXBMFYSA-N	1	0	354.495	1.930	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000287362865	675915174	/nfs/dbraw/zinc/91/51/74/675915174.db2.gz	QLPLGNLKJMFKTF-HIFRSBDPSA-N	1	0	362.455	1.684	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H](C)[C@@H]1CN(C)CCO1)C(C)C	ZINC000152559897	671885005	/nfs/dbraw/zinc/88/50/05/671885005.db2.gz	JKSAFQHJXHUOJQ-KURKYZTESA-N	1	0	352.523	1.703	20	30		FDEDRO
CC[NH+]=C(NCC1(C(=O)N(C)C)CCCC1)N1CC[C@@]2(CCOC2)C1	ZINC000158151822	671977799	/nfs/dbraw/zinc/97/77/99/671977799.db2.gz	SIRYMLJXQVWDPK-GOSISDBHSA-N	1	0	350.507	1.713	20	30		FDEDRO
C[NH+]=C(NCCO[C@@H]1CCCC[C@@H]1C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158581913	671981139	/nfs/dbraw/zinc/98/11/39/671981139.db2.gz	HYQCOSZYQRNBHS-LSDHHAIUSA-N	1	0	359.536	1.666	20	30		FDEDRO
C[NH+]=C(NCC1(CS(C)(=O)=O)CC1)N1CCN(c2cccs2)CC1	ZINC000158902747	671984949	/nfs/dbraw/zinc/98/49/49/671984949.db2.gz	GTZHDWOJSXZRKQ-UHFFFAOYSA-N	1	0	370.544	1.270	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000179087794	672154724	/nfs/dbraw/zinc/15/47/24/672154724.db2.gz	RTONAEFGOPLSLL-NXOAAHMSSA-N	1	0	350.507	1.029	20	30		FDEDRO
C=C(Br)CNC(=[NH+]CC)N1CCN(C[C@H]2CCOC2)CC1	ZINC000179084370	672154756	/nfs/dbraw/zinc/15/47/56/672154756.db2.gz	XZRXEEKRVKDBIY-CQSZACIVSA-N	1	0	359.312	1.515	20	30		FDEDRO
C=C(Br)CNC(=[NH+]CC)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000179084358	672154795	/nfs/dbraw/zinc/15/47/95/672154795.db2.gz	XZRXEEKRVKDBIY-AWEZNQCLSA-N	1	0	359.312	1.515	20	30		FDEDRO
CC1(O)CC[NH+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1	ZINC000182855119	672219826	/nfs/dbraw/zinc/21/98/26/672219826.db2.gz	WQUMGLYGFRCRDK-HNNXBMFYSA-N	1	0	362.499	1.304	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)C#Cc1ccc(C(F)(F)F)cc1	ZINC000191427522	672342764	/nfs/dbraw/zinc/34/27/64/672342764.db2.gz	PKAVGDCGIZMDEG-CQSZACIVSA-N	1	0	353.388	1.809	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1CC(N)=NOCC(=O)N1CCC[C@H](C(F)(F)F)C1	ZINC000193620580	672371518	/nfs/dbraw/zinc/37/15/18/672371518.db2.gz	DOWIMPZFEYLEPM-STQMWFEESA-N	1	0	364.412	1.951	20	30		FDEDRO
[NH2+]=C(NCc1cc2c(c(Br)c1)OCO2)NC[C@H]1CCCO1	ZINC000195523223	672408206	/nfs/dbraw/zinc/40/82/06/672408206.db2.gz	JSTSHTVKVRVJNF-SNVBAGLBSA-N	1	0	356.220	1.761	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c1	ZINC000237986956	672431869	/nfs/dbraw/zinc/43/18/69/672431869.db2.gz	OVKKKSABBUZITB-ZBFHGGJFSA-N	1	0	351.472	1.398	20	30		FDEDRO
CC[NH+]=C(NCC1CCCCC1)NCC1CCN(S(C)(=O)=O)CC1	ZINC000261704972	672655317	/nfs/dbraw/zinc/65/53/17/672655317.db2.gz	UJLUJFQZJXHBAS-UHFFFAOYSA-N	1	0	358.552	1.793	20	30		FDEDRO
CC[NH+]=C(NC[C@@]1(O)CCSC1)N1CCN(c2cccs2)CC1	ZINC000261942657	672698659	/nfs/dbraw/zinc/69/86/59/672698659.db2.gz	DUZJBNBWBAGDFK-INIZCTEOSA-N	1	0	354.545	1.704	20	30		FDEDRO
CC[NH+]=C(NCCc1cc(F)cc(F)c1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261952827	672701148	/nfs/dbraw/zinc/70/11/48/672701148.db2.gz	HWJXXXUHCOWALV-UHFFFAOYSA-N	1	0	373.469	1.982	20	30		FDEDRO
C[NH+]=C(NCCOc1ccccc1F)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261967136	672703727	/nfs/dbraw/zinc/70/37/27/672703727.db2.gz	LSTWBKBYNKNAER-UHFFFAOYSA-N	1	0	357.451	1.289	20	30		FDEDRO
CC[NH+]=C(NC[C@@H](c1ccco1)N(C)C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000262014128	672711842	/nfs/dbraw/zinc/71/18/42/672711842.db2.gz	XJJWBDOGUABTEN-AWEZNQCLSA-N	1	0	370.519	1.357	20	30		FDEDRO
CC/[NH+]=C(/NCc1cn2ccsc2n1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000262018454	672712574	/nfs/dbraw/zinc/71/25/74/672712574.db2.gz	YGDZBLCZAWHYDG-UHFFFAOYSA-N	1	0	369.516	1.370	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)NCC1CCC1)N1CCSC(C)(C)C1	ZINC000262026773	672714582	/nfs/dbraw/zinc/71/45/82/672714582.db2.gz	WSSUAELNFIAKRL-UHFFFAOYSA-N	1	0	362.565	1.109	20	30		FDEDRO
COc1ccc(OC)c(NC(=[NH2+])NC[C@H]2COC3(CCOCC3)O2)c1	ZINC000262252389	672755079	/nfs/dbraw/zinc/75/50/79/672755079.db2.gz	ZNXZVBSXXAVFPB-ZDUSSCGKSA-N	1	0	351.403	1.353	20	30		FDEDRO
CC[C@H](C)[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CCO[C@]2(CCSC2)C1	ZINC000262272471	672759374	/nfs/dbraw/zinc/75/93/74/672759374.db2.gz	HDFXUCLQDKIZAG-JJRVBVJISA-N	1	0	356.536	1.463	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@@H]1CCO[C@@]2(CCSC2)C1)=[NH+]C1CCCC1	ZINC000262276041	672759915	/nfs/dbraw/zinc/75/99/15/672759915.db2.gz	HVYYAXZVNPQAJM-QAPCUYQASA-N	1	0	368.547	1.607	20	30		FDEDRO
C[NH+]=C(NC[C@@]1(O)CCSC1)N1CCN(Cc2cccs2)CC1	ZINC000262371969	672778453	/nfs/dbraw/zinc/77/84/53/672778453.db2.gz	ITTGYODPDMIFRG-INIZCTEOSA-N	1	0	354.545	1.309	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@@H]1COC2(CCCC2)O1)NC[C@@H]1CCS(=O)(=O)C1	ZINC000262375862	672779187	/nfs/dbraw/zinc/77/91/87/672779187.db2.gz	JMUXZVKYLJPWHZ-LSDHHAIUSA-N	1	0	373.519	1.050	20	30		FDEDRO
CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCOc2ccccc21	ZINC000262378394	672779581	/nfs/dbraw/zinc/77/95/81/672779581.db2.gz	JZBFZLPOWOROHD-HOCLYGCPSA-N	1	0	365.499	1.890	20	30		FDEDRO
[NH2+]=C(NCCOc1ccc(Cl)cn1)N1CCN(c2ncccn2)CC1	ZINC000262401174	672783502	/nfs/dbraw/zinc/78/35/02/672783502.db2.gz	NSLIHYJRAVFJRY-UHFFFAOYSA-N	1	0	361.837	1.041	20	30		FDEDRO
CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=[NH2+])Nc1ccc2c(c1)CCC2	ZINC000262403071	672783701	/nfs/dbraw/zinc/78/37/01/672783701.db2.gz	OBVNIYUYVCVCLW-ZBFHGGJFSA-N	1	0	350.488	1.620	20	30		FDEDRO
C[C@@H]1CN(C(=[NH2+])NCc2ccccc2S(=O)(=O)NC(C)(C)C)CCO1	ZINC000262457824	672792941	/nfs/dbraw/zinc/79/29/41/672792941.db2.gz	LRCIGZUKBXZCNB-CYBMUJFWSA-N	1	0	368.503	1.299	20	30		FDEDRO
C[C@@H]1C[C@H](NC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)CCO1	ZINC000262463923	672794259	/nfs/dbraw/zinc/79/42/59/672794259.db2.gz	XZTAHOVTNYUMBA-IIAWOOMASA-N	1	0	357.520	1.466	20	30		FDEDRO
CSc1ccc(CCNC(=[NH2+])N2CCN(c3ncccn3)CC2)cc1	ZINC000262698116	672831701	/nfs/dbraw/zinc/83/17/01/672831701.db2.gz	FLMATIFJXSDGIB-UHFFFAOYSA-N	1	0	356.499	1.878	20	30		FDEDRO
C[NH+]=C(NC[C@]1(N(C)C)CCSC1)N1CCC[C@]2(CCCOC2)C1	ZINC000262830802	672852006	/nfs/dbraw/zinc/85/20/06/672852006.db2.gz	ZWPQGHCEVOMCLG-ZWKOTPCHSA-N	1	0	354.564	1.892	20	30		FDEDRO
C[NH+]=C(NC[C@]1(N(C)C)CCSC1)N1CCC[C@@]2(CCCOC2)C1	ZINC000262830800	672852101	/nfs/dbraw/zinc/85/21/01/672852101.db2.gz	ZWPQGHCEVOMCLG-QZTJIDSGSA-N	1	0	354.564	1.892	20	30		FDEDRO
C[C@@H]1OCC[C@@]1(O)CNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1	ZINC000262918407	672854224	/nfs/dbraw/zinc/85/42/24/672854224.db2.gz	ZEBNDYAQIDDZOU-SUMWQHHRSA-N	1	0	352.866	1.317	20	30		FDEDRO
C[NH+]=C(NCCNS(=O)(=O)c1ccccc1)N1CCc2ccccc21	ZINC000263111399	672862844	/nfs/dbraw/zinc/86/28/44/672862844.db2.gz	DTIRVWSPBBBRLU-UHFFFAOYSA-N	1	0	358.467	1.603	20	30		FDEDRO
CCS(=O)(=O)c1cc(Cl)cc(CNC(=[NH2+])N2CCO[C@@H](C)C2)c1	ZINC000263167888	672865152	/nfs/dbraw/zinc/86/51/52/672865152.db2.gz	RNSCWHORQVHGCZ-NSHDSACASA-N	1	0	359.879	1.669	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1cccc(OCC(F)F)c1	ZINC000265008486	672928026	/nfs/dbraw/zinc/92/80/26/672928026.db2.gz	ZCMPCKBTTGLOAU-UHFFFAOYSA-N	1	0	356.417	1.328	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2nnc(CCCC(=O)OC)s2)CC1	ZINC000265949547	673025176	/nfs/dbraw/zinc/02/51/76/673025176.db2.gz	OVOIMJNYKICIME-UHFFFAOYSA-N	1	0	367.475	1.806	20	30		FDEDRO
CCC[N@H+](CCNS(=O)(=O)CCCOC)Cc1ccc(C#N)cc1	ZINC000267058023	673242226	/nfs/dbraw/zinc/24/22/26/673242226.db2.gz	SLVHAJSHWHUNSH-UHFFFAOYSA-N	1	0	353.488	1.726	20	30		FDEDRO
Cn1cc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c(-c2ccc(C#N)cc2)n1	ZINC000290203683	676191013	/nfs/dbraw/zinc/19/10/13/676191013.db2.gz	UZPDIUIXNBKALQ-HNNXBMFYSA-N	1	0	358.467	1.873	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1	ZINC000281841282	675567411	/nfs/dbraw/zinc/56/74/11/675567411.db2.gz	WWPHFMTVOUGRIZ-CVEARBPZSA-N	1	0	352.504	1.823	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NCc1ccc(OCC[NH+](C)C)cc1	ZINC000282978962	675645336	/nfs/dbraw/zinc/64/53/36/675645336.db2.gz	XDVMYTUTOKAEBY-CQSZACIVSA-N	1	0	354.476	1.053	20	30		FDEDRO
COc1ccc([C@H](CN(C)C)NS(=O)(=O)N(C)C[C@H](C)C#N)cc1	ZINC000284118627	675671989	/nfs/dbraw/zinc/67/19/89/675671989.db2.gz	XJVBPEPYMWDBGO-CJNGLKHVSA-N	1	0	354.476	1.224	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C	ZINC000284633705	675735976	/nfs/dbraw/zinc/73/59/76/675735976.db2.gz	RNUABQKARYKCPY-OAHLLOKOSA-N	1	0	353.463	1.580	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)CC)cc1	ZINC000284960254	675772098	/nfs/dbraw/zinc/77/20/98/675772098.db2.gz	ZTMQGHSKNITMCO-CHWSQXEVSA-N	1	0	367.471	1.531	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1nc2c(s1)CCCCCC2	ZINC000293390155	676348934	/nfs/dbraw/zinc/34/89/34/676348934.db2.gz	NNXFCQMPXPTHJY-UHFFFAOYSA-N	1	0	362.499	1.812	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cnc1C(F)(F)F	ZINC000293722904	676362104	/nfs/dbraw/zinc/36/21/04/676362104.db2.gz	OKVDJNSKGGVZGI-CYBMUJFWSA-N	1	0	356.348	1.549	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1cc(Br)c(C)n(C)c1=O	ZINC000293930430	676371251	/nfs/dbraw/zinc/37/12/51/676371251.db2.gz	HUAZVXSOIMOGHR-UHFFFAOYSA-N	1	0	354.248	1.141	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[NH+]([C@H](C)CC)CC2)cc1	ZINC000296753445	676420699	/nfs/dbraw/zinc/42/06/99/676420699.db2.gz	BHIAUQXCWSPOBX-OAHLLOKOSA-N	1	0	363.483	1.154	20	30		FDEDRO
CC#CC[N@H+](C)CCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000298051769	676432691	/nfs/dbraw/zinc/43/26/91/676432691.db2.gz	FIKNPSVESUEVDD-UHFFFAOYSA-N	1	0	363.483	1.755	20	30		FDEDRO
CC1(C)OCC(CO)([NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)CO1	ZINC000298538457	676473018	/nfs/dbraw/zinc/47/30/18/676473018.db2.gz	MWRSVRBRTKGWCA-UHFFFAOYSA-N	1	0	367.833	1.644	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)C1	ZINC000299374387	676531520	/nfs/dbraw/zinc/53/15/20/676531520.db2.gz	QJKXTXWJNXOFOT-KBPBESRZSA-N	1	0	364.877	1.927	20	30		FDEDRO
CC(C)CNS(=O)(=O)c1ccc(CNC(=[NH2+])NCC2CCC2)cc1	ZINC000305659208	676545034	/nfs/dbraw/zinc/54/50/34/676545034.db2.gz	FWHXMQKANKGVQS-UHFFFAOYSA-N	1	0	352.504	1.825	20	30		FDEDRO
NS(=O)(=O)[C@@H]1CCN(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1	ZINC000328640876	676600467	/nfs/dbraw/zinc/60/04/67/676600467.db2.gz	FIUKSNBQYKZWDA-OAHLLOKOSA-N	1	0	372.535	1.310	20	30		FDEDRO
O=C(CN1CCS(=O)(=O)CC1)NCC1([NH+]2CCCCC2)CCCCC1	ZINC000328757803	676605563	/nfs/dbraw/zinc/60/55/63/676605563.db2.gz	VHYJFDQMOWTTNE-UHFFFAOYSA-N	1	0	371.547	1.862	20	30		FDEDRO
C[C@@H](Sc1nncn1C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1	ZINC000328862178	676609992	/nfs/dbraw/zinc/60/99/92/676609992.db2.gz	ZNRPODYPYIUZTN-GFCCVEGCSA-N	1	0	361.475	1.731	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1	ZINC000328981766	676614933	/nfs/dbraw/zinc/61/49/33/676614933.db2.gz	YIBGJOJKMMICSV-DLBZAZTESA-N	1	0	351.491	1.948	20	30		FDEDRO
CN1C(=O)N[C@@H]2CN(C(=O)NC[C@@H](C3CCCCC3)[NH+](C)C)CC[C@@H]21	ZINC000329021630	676616564	/nfs/dbraw/zinc/61/65/64/676616564.db2.gz	IAZOYPOQEVLODF-PMPSAXMXSA-N	1	0	351.495	1.713	20	30		FDEDRO
CC(C)N1C(=O)N[C@@H]2CN(C(=O)NC[C@H](C)C[NH+]3CCCC3)CC[C@@H]21	ZINC000329130190	676621563	/nfs/dbraw/zinc/62/15/63/676621563.db2.gz	OFNYMNRDBAKSNF-XHSDSOJGSA-N	1	0	351.495	1.713	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)CSCc3ccccn3)CC2)C1=O	ZINC000329201660	676624872	/nfs/dbraw/zinc/62/48/72/676624872.db2.gz	WRHGLXHTLYLWIU-INIZCTEOSA-N	1	0	362.499	1.966	20	30		FDEDRO
CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)C[C@H]1C	ZINC000329303067	676632182	/nfs/dbraw/zinc/63/21/82/676632182.db2.gz	WQQSABAESOYCAF-JYYAWHABSA-N	1	0	373.519	1.051	20	30		FDEDRO
CCc1nc(CN2CCN(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)cs1	ZINC000329303141	676632202	/nfs/dbraw/zinc/63/22/02/676632202.db2.gz	NTPKTLIGQJGVRI-AWEZNQCLSA-N	1	0	363.531	1.974	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1	ZINC000329305471	676632372	/nfs/dbraw/zinc/63/23/72/676632372.db2.gz	YHXZKRCWMOVHRG-OWCLPIDISA-N	1	0	353.463	1.224	20	30		FDEDRO
O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1	ZINC000329306173	676632380	/nfs/dbraw/zinc/63/23/80/676632380.db2.gz	XVDJLGLZVDNQMM-BMFZPTHFSA-N	1	0	370.519	1.073	20	30		FDEDRO
CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)N[C@H](CO)C[NH+]1CCCCC1	ZINC000329362562	676635325	/nfs/dbraw/zinc/63/53/25/676635325.db2.gz	CXDASEZHAFXPME-UONOGXRCSA-N	1	0	357.520	1.737	20	30		FDEDRO
C[C@]12CCC(=O)N1[C@H](C(=O)NC1CC[NH+](C[C@@H]3CCOC3)CC1)CS2	ZINC000329572827	676644662	/nfs/dbraw/zinc/64/46/62/676644662.db2.gz	JGNVHTOPKPQPDP-YEWWUXTCSA-N	1	0	367.515	1.898	20	30		FDEDRO
C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)N[C@@H]1CCC(=O)NC12CCC2	ZINC000329600136	676645548	/nfs/dbraw/zinc/64/55/48/676645548.db2.gz	KAEHDESIASKKRI-RBSFLKMASA-N	1	0	350.463	1.737	20	30		FDEDRO
C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCCCS2(=O)=O)C1	ZINC000329683140	676649112	/nfs/dbraw/zinc/64/91/12/676649112.db2.gz	YZIHZGPHHXJGFR-HUUCEWRRSA-N	1	0	359.536	1.968	20	30		FDEDRO
Cc1nsc(N2CCCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)n1	ZINC000329773132	676654911	/nfs/dbraw/zinc/65/49/11/676654911.db2.gz	LIACVCOAKULIMT-CABCVRRESA-N	1	0	364.519	1.899	20	30		FDEDRO
CCc1nsc(N2CCN(CC(=O)NC3CC[NH+](CC)CC3)CC2)n1	ZINC000329799632	676657277	/nfs/dbraw/zinc/65/72/77/676657277.db2.gz	IFKATLSZZLFFKZ-UHFFFAOYSA-N	1	0	366.535	1.663	20	30		FDEDRO
CC1(C)[C@H](NC(=O)N2CCC[C@@H]2CN2CCOCC2)[C@@H]2CCCO[C@@H]21	ZINC000329799264	676657303	/nfs/dbraw/zinc/65/73/03/676657303.db2.gz	HILMFLXWAGJBKX-TWMKSMIVSA-N	1	0	351.491	1.901	20	30		FDEDRO
Cc1nc2n(n1)CCC[C@H]2NC(=O)NCC1(O)CC[NH+](C(C)C)CC1	ZINC000329926062	676663965	/nfs/dbraw/zinc/66/39/65/676663965.db2.gz	KIIKAYHDNGIVOM-CQSZACIVSA-N	1	0	350.467	1.160	20	30		FDEDRO
CC(C)[C@H](C(=O)NCC1CC[NH+](C2CC2)CC1)N1CCCS1(=O)=O	ZINC000329942661	676664896	/nfs/dbraw/zinc/66/48/96/676664896.db2.gz	HIZFBRFHBSYTAM-MRXNPFEDSA-N	1	0	357.520	1.877	20	30		FDEDRO
O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1COCCN1CC(F)F	ZINC000329995953	676668192	/nfs/dbraw/zinc/66/81/92/676668192.db2.gz	OASSVJXKKHJEDU-DZGCQCFKSA-N	1	0	361.433	1.410	20	30		FDEDRO
C[NH+](C)[C@@]1(CNC(=O)N2CCC(C(=O)N3CCCC3)CC2)CCSC1	ZINC000330149870	676675315	/nfs/dbraw/zinc/67/53/15/676675315.db2.gz	MTRDEQNGDKBZOG-GOSISDBHSA-N	1	0	368.547	1.672	20	30		FDEDRO
C[C@H](NC(=O)N1CC[C@H](CS(C)(=O)=O)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000330238293	676679988	/nfs/dbraw/zinc/67/99/88/676679988.db2.gz	ZTNJMYSWHYUMKN-HRCADAONSA-N	1	0	371.547	1.920	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1	ZINC000330252528	676680982	/nfs/dbraw/zinc/68/09/82/676680982.db2.gz	IKDPXCCYUXNBKG-AEGPPILISA-N	1	0	354.451	1.168	20	30		FDEDRO
CCS(=O)(=O)N(C)CCCNC(=O)N1CCC([NH+]2CCCCC2)CC1	ZINC000330398059	676688791	/nfs/dbraw/zinc/68/87/91/676688791.db2.gz	LQCQYFOZTVCRIC-UHFFFAOYSA-N	1	0	374.551	1.522	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](CNC(=O)NC2CCN(S(=O)(=O)CC)CC2)C1	ZINC000330400939	676689019	/nfs/dbraw/zinc/68/90/19/676689019.db2.gz	FCIQYXOMEJBLDT-CQSZACIVSA-N	1	0	360.524	1.036	20	30		FDEDRO
CS[C@@H]1CN(CC(=O)NC(=O)Nc2cccc(C)c2C)C[C@H]1[NH+](C)C	ZINC000330506724	676694568	/nfs/dbraw/zinc/69/45/68/676694568.db2.gz	LWZZEWYHWKDHGN-HZPDHXFCSA-N	1	0	364.515	1.943	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1	ZINC000330558480	676696558	/nfs/dbraw/zinc/69/65/58/676696558.db2.gz	ILZYICLTWMUWGW-VQIMIIECSA-N	1	0	351.491	1.249	20	30		FDEDRO
C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1	ZINC000330690285	676700733	/nfs/dbraw/zinc/70/07/33/676700733.db2.gz	APIAOPWLJKLILR-OUAUKWLOSA-N	1	0	353.385	1.696	20	30		FDEDRO
CCCS(=O)(=O)NC1CCN(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC1	ZINC000330765393	676703317	/nfs/dbraw/zinc/70/33/17/676703317.db2.gz	JXNLXUWSZXIOTI-AWEZNQCLSA-N	1	0	372.535	1.345	20	30		FDEDRO
COc1ncnc(N(C)C)c1NC(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1	ZINC000330806149	676704743	/nfs/dbraw/zinc/70/47/43/676704743.db2.gz	HGTKZAMPMNYYSM-GHMZBOCLSA-N	1	0	354.480	1.074	20	30		FDEDRO
CNS(=O)(=O)c1ccc(NC(=O)NCC(C)(C)[NH+]2CCCCC2)nc1	ZINC000331166588	676719628	/nfs/dbraw/zinc/71/96/28/676719628.db2.gz	MPUFMBHZUPPIMO-UHFFFAOYSA-N	1	0	369.491	1.580	20	30		FDEDRO
C[C@H](C[S@](C)=O)NC(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1	ZINC000331208832	676721939	/nfs/dbraw/zinc/72/19/39/676721939.db2.gz	GFFPFIDQKGLZLV-APVRYJNBSA-N	1	0	352.504	1.687	20	30		FDEDRO
O=C(CC[N@H+]1CCC[C@](O)(C(F)(F)F)C1)NC(=O)NCC(F)(F)F	ZINC000331225289	676722773	/nfs/dbraw/zinc/72/27/73/676722773.db2.gz	DXJRPYNXDQUGIF-SNVBAGLBSA-N	1	0	365.274	1.358	20	30		FDEDRO
CC(C)(C)[C@@H]1CC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C[C@@H]1O	ZINC000331314889	676726870	/nfs/dbraw/zinc/72/68/70/676726870.db2.gz	CRIAZVNLOQGFBJ-MNOVXSKESA-N	1	0	353.385	1.698	20	30		FDEDRO
CO[C@]1(C)CCC[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1	ZINC000332349490	676740651	/nfs/dbraw/zinc/74/06/51/676740651.db2.gz	VEOUREWHDWJELY-IEBWSBKVSA-N	1	0	350.507	1.570	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(CC2([NH+]3CCSCC3)CCCCC2)C1=O	ZINC000348584801	676787079	/nfs/dbraw/zinc/78/70/79/676787079.db2.gz	JBJWRLXDCBKFRB-HNNXBMFYSA-N	1	0	367.515	1.861	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)c1C#N	ZINC000360700236	676872821	/nfs/dbraw/zinc/87/28/21/676872821.db2.gz	RXVRMSQSFMVDLF-HOTGVXAUSA-N	1	0	363.483	1.477	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CC	ZINC000363106234	676935350	/nfs/dbraw/zinc/93/53/50/676935350.db2.gz	ZVQVQDQCMJGPSM-SOUVJXGZSA-N	1	0	350.463	1.252	20	30		FDEDRO
N#Cc1ccc([N+](=O)[O-])c(N2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)c1	ZINC000364084554	676990263	/nfs/dbraw/zinc/99/02/63/676990263.db2.gz	VWLMFRLALNBTMJ-CQSZACIVSA-N	1	0	364.427	1.212	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[N@H+](CC(C)(C)O)CC1	ZINC000364266235	677003434	/nfs/dbraw/zinc/00/34/34/677003434.db2.gz	PERBKMBFJBLQBJ-MRXNPFEDSA-N	1	0	350.507	1.496	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2C[C@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)ccc1F	ZINC000364302860	677006394	/nfs/dbraw/zinc/00/63/94/677006394.db2.gz	IVNRGHWIICVQKH-WBVHZDCISA-N	1	0	363.389	1.952	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[NH+]([C@H]2CCSC2)CC1	ZINC000365897746	677390146	/nfs/dbraw/zinc/39/01/46/677390146.db2.gz	YJHQIXUMEIQLMQ-CVEARBPZSA-N	1	0	350.532	1.841	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCCC1	ZINC000367124586	677488237	/nfs/dbraw/zinc/48/82/37/677488237.db2.gz	JBYMIXGKRMKLNL-MRXNPFEDSA-N	1	0	358.508	1.044	20	30		FDEDRO
COC[C@H]1CCCC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1	ZINC000372109419	677844409	/nfs/dbraw/zinc/84/44/09/677844409.db2.gz	RUTBINLQQVGUBF-ROUUACIJSA-N	1	0	350.507	1.427	20	30		FDEDRO
CC(C)(O)C[N@@H+]1CCCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1	ZINC000372550563	677935379	/nfs/dbraw/zinc/93/53/79/677935379.db2.gz	DOXIGVNTNIUBFP-HNNXBMFYSA-N	1	0	362.499	1.504	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccc(Cl)c1	ZINC000373180740	678041738	/nfs/dbraw/zinc/04/17/38/678041738.db2.gz	WEPLAUUQBJJITL-WMLDXEAASA-N	1	0	364.877	1.934	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H](C(=O)Nc2nccs2)C1	ZINC000373920958	678068634	/nfs/dbraw/zinc/06/86/34/678068634.db2.gz	JQVDRKYLDRTMJQ-RYUDHWBXSA-N	1	0	365.459	1.194	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1	ZINC000374400928	678077864	/nfs/dbraw/zinc/07/78/64/678077864.db2.gz	IFZOWMNTXUSXDD-PVAVHDDUSA-N	1	0	350.488	1.748	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N[C@H]1CC[N@@H+](C2CCCCCC2)C1	ZINC000374448214	678081084	/nfs/dbraw/zinc/08/10/84/678081084.db2.gz	XSZIGUMFOZRVHG-INIZCTEOSA-N	1	0	372.535	1.480	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1	ZINC000374454928	678081791	/nfs/dbraw/zinc/08/17/91/678081791.db2.gz	YJHSXPQYLZZVBF-MRXNPFEDSA-N	1	0	372.535	1.480	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1	ZINC000374462935	678083186	/nfs/dbraw/zinc/08/31/86/678083186.db2.gz	QCYWARQBAXHORA-NVXWUHKLSA-N	1	0	350.488	1.529	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N[C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C	ZINC000374880135	678092800	/nfs/dbraw/zinc/09/28/00/678092800.db2.gz	KSYQQHUKALLCJL-WFASDCNBSA-N	1	0	365.503	1.263	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)ccc1C(F)(F)F	ZINC000376114698	678226632	/nfs/dbraw/zinc/22/66/32/678226632.db2.gz	MMSVEDXXMZSVLE-IINYFYTJSA-N	1	0	359.373	1.950	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1	ZINC000376350260	678283045	/nfs/dbraw/zinc/28/30/45/678283045.db2.gz	LCNUCMLNMJQNNH-IAGOWNOFSA-N	1	0	371.547	1.883	20	30		FDEDRO
C#CCOc1ccccc1CN1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1	ZINC000377201574	678481332	/nfs/dbraw/zinc/48/13/32/678481332.db2.gz	MGDHQUNCKQMXIC-GOSISDBHSA-N	1	0	362.495	1.440	20	30		FDEDRO
C=CCNc1ncc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)s1	ZINC000378309414	678737475	/nfs/dbraw/zinc/73/74/75/678737475.db2.gz	NMPJAQQEDNDZHI-LSDHHAIUSA-N	1	0	363.531	1.839	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N1CCC(CCC[NH+](C)C)CC1	ZINC000409487081	678848683	/nfs/dbraw/zinc/84/86/83/678848683.db2.gz	SDQUJVDXYSKCDH-UHFFFAOYSA-N	1	0	360.524	1.147	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000409501218	678853505	/nfs/dbraw/zinc/85/35/05/678853505.db2.gz	LTHIVXJDSHVSRZ-WBVHZDCISA-N	1	0	350.488	1.577	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)NCC1([NH+](C)C)CCCCCC1	ZINC000409590455	678864652	/nfs/dbraw/zinc/86/46/52/678864652.db2.gz	GVBHYXZQOAGRIB-UHFFFAOYSA-N	1	0	360.524	1.337	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1	ZINC000410124276	678880150	/nfs/dbraw/zinc/88/01/50/678880150.db2.gz	JLYVCDJWFHVQBI-CVEARBPZSA-N	1	0	352.504	1.823	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)NCC(C)(C)[NH+]1CCC(OC)CC1	ZINC000410145528	678884875	/nfs/dbraw/zinc/88/48/75/678884875.db2.gz	MRMAFMZGRBFAJK-CQSZACIVSA-N	1	0	360.524	1.192	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1CCN(CCCOCC(F)(F)F)CC1	ZINC000424105054	680830053	/nfs/dbraw/zinc/83/00/53/680830053.db2.gz	ISRQFKBXCMCYIO-CYBMUJFWSA-N	1	0	350.385	1.121	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1	ZINC000424081951	680828956	/nfs/dbraw/zinc/82/89/56/680828956.db2.gz	ASXPDSRSNFYSRZ-ZDUSSCGKSA-N	1	0	370.500	1.039	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N[C@H](C(N)=O)c1cccc(Br)c1	ZINC000424109076	680830197	/nfs/dbraw/zinc/83/01/97/680830197.db2.gz	AMBGNJYHNCRNRM-NEPJUHHUSA-N	1	0	353.220	1.113	20	30		FDEDRO
N#Cc1cc(Br)ccc1C(=O)N[C@@H](CO)C[NH+]1CCCCC1	ZINC000413797925	679298390	/nfs/dbraw/zinc/29/83/90/679298390.db2.gz	JSWROBAWAXDCBT-CQSZACIVSA-N	1	0	366.259	1.897	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc1	ZINC000414884072	679372265	/nfs/dbraw/zinc/37/22/65/679372265.db2.gz	AUSSAOYAQFXRKP-IUODEOHRSA-N	1	0	352.460	1.304	20	30		FDEDRO
CC[NH2+]CCNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	ZINC000414916588	679373811	/nfs/dbraw/zinc/37/38/11/679373811.db2.gz	STMPCSQFXUVLHN-UHFFFAOYSA-N	1	0	362.484	2.433	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)ccc1Br	ZINC000415262368	679397252	/nfs/dbraw/zinc/39/72/52/679397252.db2.gz	GDJYNONOHSOSKT-SNVBAGLBSA-N	1	0	351.204	1.209	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC[C@@H]1[NH3+]	ZINC000415433241	679430134	/nfs/dbraw/zinc/43/01/34/679430134.db2.gz	AELMIKYYCKMISB-KOLCDFICSA-N	1	0	352.341	1.294	20	30		FDEDRO
C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000415492892	679439288	/nfs/dbraw/zinc/43/92/88/679439288.db2.gz	LOZWRMMQYNGCHD-LLVKDONJSA-N	1	0	352.341	1.309	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc1	ZINC000415591308	679460010	/nfs/dbraw/zinc/46/00/10/679460010.db2.gz	AKBQLDLCUFIXJF-XJKCOSOUSA-N	1	0	364.471	1.963	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc1	ZINC000415599046	679461938	/nfs/dbraw/zinc/46/19/38/679461938.db2.gz	LVJBPOXAMYMWEB-HZSPNIEDSA-N	1	0	364.471	1.821	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000415619102	679466459	/nfs/dbraw/zinc/46/64/59/679466459.db2.gz	HEQZTDPTPRYZLH-NOZJJQNGSA-N	1	0	354.332	1.630	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000415620165	679466883	/nfs/dbraw/zinc/46/68/83/679466883.db2.gz	UIRAKNHOXBBPSH-NOZJJQNGSA-N	1	0	365.231	1.373	20	30		FDEDRO
C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000415684369	679478930	/nfs/dbraw/zinc/47/89/30/679478930.db2.gz	SZZFSPLIHRHMHU-ONGXEEELSA-N	1	0	352.341	1.355	20	30		FDEDRO
N#CCCSc1ccccc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1	ZINC000415752305	679492621	/nfs/dbraw/zinc/49/26/21/679492621.db2.gz	XCBKATWNXQKYIJ-KBPBESRZSA-N	1	0	358.467	1.699	20	30		FDEDRO
N#Cc1cccc([C@H]2CN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CCO2)c1	ZINC000416002384	679542375	/nfs/dbraw/zinc/54/23/75/679542375.db2.gz	DSGVOAPMLYRRLQ-KGLIPLIRSA-N	1	0	356.348	1.921	20	30		FDEDRO
C[C@H](NS(=O)(=O)[C@@H](C)C#N)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000416392066	679600777	/nfs/dbraw/zinc/60/07/77/679600777.db2.gz	UEKXDDKBCFDJNC-STQMWFEESA-N	1	0	354.451	1.470	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NCCCC[N@@H+](C)C2CC2)c1	ZINC000416503165	679642338	/nfs/dbraw/zinc/64/23/38/679642338.db2.gz	UIAQUSADICBFKS-UHFFFAOYSA-N	1	0	365.499	1.755	20	30		FDEDRO
CCCC[C@H](C[NH3+])NC(=O)N1CCN(c2snc(C)c2C#N)CC1	ZINC000418452109	680067786	/nfs/dbraw/zinc/06/77/86/680067786.db2.gz	WYIHAHNFZGQLEF-CYBMUJFWSA-N	1	0	350.492	1.672	20	30		FDEDRO
C=C(C)[C@@H](NC(=O)C(=O)N1CCC[C@H]1C[NH2+]C)c1ccc(F)c(F)c1	ZINC000419679095	680318451	/nfs/dbraw/zinc/31/84/51/680318451.db2.gz	PFBLLSZQCOXFGF-XJKSGUPXSA-N	1	0	351.397	1.909	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)c1ccc(F)c(F)c1	ZINC000419683025	680319703	/nfs/dbraw/zinc/31/97/03/680319703.db2.gz	UUJZSHYOFBTDQM-HSMVNMDESA-N	1	0	351.397	1.894	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c1	ZINC000420476052	680468122	/nfs/dbraw/zinc/46/81/22/680468122.db2.gz	HSKQFJZEFRYFOW-HIFRSBDPSA-N	1	0	351.472	1.208	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CS[C@@H](C)C1)C(C)C	ZINC000421740003	680674181	/nfs/dbraw/zinc/67/41/81/680674181.db2.gz	GKFIVJPQHQAYCY-HRCADAONSA-N	1	0	353.532	1.811	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@H]1CCN(C)C(=O)C1)C(C)C	ZINC000425590849	680911866	/nfs/dbraw/zinc/91/18/66/680911866.db2.gz	XLNGOMDEWLCPTC-IAGOWNOFSA-N	1	0	350.507	1.853	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1	ZINC000425868893	680937727	/nfs/dbraw/zinc/93/77/27/680937727.db2.gz	JCIZZCZIJXMIMK-NCOADZHNSA-N	1	0	351.491	1.178	20	30		FDEDRO
Cc1ccc(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc1S(=O)(=O)NCC#N	ZINC000427495656	680976664	/nfs/dbraw/zinc/97/66/64/680976664.db2.gz	PKDIIHGESRPHDL-CQSZACIVSA-N	1	0	366.487	1.255	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](CCO)[C@@H]2CC[C@@H](C)C2)CC1	ZINC000429769857	681047052	/nfs/dbraw/zinc/04/70/52/681047052.db2.gz	JELPGYJKXZSWPK-KURKYZTESA-N	1	0	350.507	1.162	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C)c1	ZINC000440421359	681997692	/nfs/dbraw/zinc/99/76/92/681997692.db2.gz	ARPSHUAGUHLLDY-QGZVFWFLSA-N	1	0	353.488	1.644	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2ccccc2C#N)CC1	ZINC000443071791	682227350	/nfs/dbraw/zinc/22/73/50/682227350.db2.gz	QNUITCMYGXUKEW-UHFFFAOYSA-N	1	0	351.472	1.726	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H]1CS(N)(=O)=O)C(C)C	ZINC000443542705	682320434	/nfs/dbraw/zinc/32/04/34/682320434.db2.gz	NTZMWBOTURWCJF-HZPDHXFCSA-N	1	0	372.535	1.148	20	30		FDEDRO
N#Cc1ccc(OCC(=O)NCC[NH+]2CCCC2)cc1Br	ZINC000449192456	682669772	/nfs/dbraw/zinc/66/97/72/682669772.db2.gz	YIDKYPNRLSSCAR-UHFFFAOYSA-N	1	0	352.232	1.912	20	30		FDEDRO
C[NH+](C)[C@@H]1CCN(C(=O)COc2ccc(C#N)c(Br)c2)C1	ZINC000449838885	682717415	/nfs/dbraw/zinc/71/74/15/682717415.db2.gz	JKWVIOUWKQCKCX-GFCCVEGCSA-N	1	0	352.232	1.862	20	30		FDEDRO
C[NH+](C)CCOc1cccc(CNS(=O)(=O)CC2(CC#N)CC2)c1	ZINC000451073230	682809590	/nfs/dbraw/zinc/80/95/90/682809590.db2.gz	JQDVVWFZRXBCJG-UHFFFAOYSA-N	1	0	351.472	1.740	20	30		FDEDRO
CC(C)(CC#N)CS(=O)(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000451332623	682863042	/nfs/dbraw/zinc/86/30/42/682863042.db2.gz	QHJIRFIWLYRMAZ-CVEARBPZSA-N	1	0	357.520	1.614	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)NCc1cc(OC)c(OC)c(OC)c1	ZINC000451605948	682905171	/nfs/dbraw/zinc/90/51/71/682905171.db2.gz	LQECAMMAPXLNRP-KGLIPLIRSA-N	1	0	350.415	1.262	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1	ZINC000451928907	682970146	/nfs/dbraw/zinc/97/01/46/682970146.db2.gz	PBMIAUOZWWPNLB-QGZVFWFLSA-N	1	0	364.515	1.921	20	30		FDEDRO
CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2ccccc2C#N)CC1	ZINC000452055089	683013048	/nfs/dbraw/zinc/01/30/48/683013048.db2.gz	GUEISWWQERCSGE-UHFFFAOYSA-N	1	0	350.488	1.253	20	30		FDEDRO
CCOC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000459694730	684444943	/nfs/dbraw/zinc/44/49/43/684444943.db2.gz	AHQAQOCRXPEVJI-ZWKOTPCHSA-N	1	0	350.507	1.570	20	30		FDEDRO
N#CCSCCC[NH+]1CCN(Cc2nnnn2-c2ccccc2)CC1	ZINC000467143594	684846752	/nfs/dbraw/zinc/84/67/52/684846752.db2.gz	ZVGZRCVVGUDKCT-UHFFFAOYSA-N	1	0	357.487	1.427	20	30		FDEDRO
CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)N(C)CCC#N	ZINC000469416170	684969046	/nfs/dbraw/zinc/96/90/46/684969046.db2.gz	MYYGVPXPBBGATE-KRWDZBQOSA-N	1	0	352.504	1.823	20	30		FDEDRO
O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](CCOCC(F)(F)C(F)F)C1	ZINC000469779072	684986194	/nfs/dbraw/zinc/98/61/94/684986194.db2.gz	HVFQYDOGEXKOKQ-QMMMGPOBSA-N	1	0	354.266	1.904	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(CC(=O)NC2(C#N)CCCCC2)C1	ZINC000472288936	685193152	/nfs/dbraw/zinc/19/31/52/685193152.db2.gz	WTFQXHZPBOEREK-KRWDZBQOSA-N	1	0	350.507	1.762	20	30		FDEDRO
C[C@H]1C[NH+](CC2CCN(S(=O)(=O)CC3(C#N)CCC3)CC2)C[C@H](C)O1	ZINC000477540820	685863594	/nfs/dbraw/zinc/86/35/94/685863594.db2.gz	VYWSPZMEWRAMBE-HOTGVXAUSA-N	1	0	369.531	1.831	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c1	ZINC000480856742	686239813	/nfs/dbraw/zinc/23/98/13/686239813.db2.gz	KMPPJDLXESOCKJ-DYVFJYSZSA-N	1	0	363.483	1.363	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1	ZINC000487786780	687001797	/nfs/dbraw/zinc/00/17/97/687001797.db2.gz	ZSIWVMOJQDSNQK-HZPDHXFCSA-N	1	0	351.491	1.559	20	30		FDEDRO
CNC(=O)[C@H](CCSC)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000489911946	687121734	/nfs/dbraw/zinc/12/17/34/687121734.db2.gz	SXZDBHGYXCDXEU-SFHVURJKSA-N	1	0	360.527	1.980	20	30		FDEDRO
COC1CCN(C2(C[NH2+][C@@H](C)C(=O)N(C)CCC#N)CCCC2)CC1	ZINC000495443271	687623188	/nfs/dbraw/zinc/62/31/88/687623188.db2.gz	BIAHCKHKRJXUNA-INIZCTEOSA-N	1	0	350.507	1.760	20	30		FDEDRO
C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1	ZINC000501355989	688172264	/nfs/dbraw/zinc/17/22/64/688172264.db2.gz	BBBWQXPWZJGONG-OAHLLOKOSA-N	1	0	363.483	1.788	20	30		FDEDRO
C=C(C)COc1cc(C[NH2+]C[C@@H]2CS(=O)(=O)CCO2)ccc1OC	ZINC000507862368	688683987	/nfs/dbraw/zinc/68/39/87/688683987.db2.gz	VFKZMNNAPCBROE-OAHLLOKOSA-N	1	0	355.456	1.553	20	30		FDEDRO
N#CCNC(=O)CNC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1	ZINC000511909565	689566060	/nfs/dbraw/zinc/56/60/60/689566060.db2.gz	JTYRMFYSCHCUAY-HNNXBMFYSA-N	1	0	363.849	1.416	20	30		FDEDRO
CC[NH2+]CCCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000514588429	689737518	/nfs/dbraw/zinc/73/75/18/689737518.db2.gz	CPZKTAURAATSAZ-UHFFFAOYSA-N	1	0	353.220	1.375	20	30		FDEDRO
C=CCN(C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)[C@H]1CCS(=O)(=O)C1	ZINC000515867597	689899863	/nfs/dbraw/zinc/89/98/63/689899863.db2.gz	WJJWPUNEEFLVRJ-CVEARBPZSA-N	1	0	372.556	1.406	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1	ZINC000517697285	690088350	/nfs/dbraw/zinc/08/83/50/690088350.db2.gz	LPDMBVXBVIRGLH-INIZCTEOSA-N	1	0	363.483	1.460	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)CC1(C#N)CCC1	ZINC000518619486	690152189	/nfs/dbraw/zinc/15/21/89/690152189.db2.gz	XBFIHBPEKRGPHL-UHFFFAOYSA-N	1	0	360.483	1.946	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1C#N	ZINC000528060233	694699029	/nfs/dbraw/zinc/69/90/29/694699029.db2.gz	YKLZPHMRHYIXKD-INIZCTEOSA-N	1	0	364.471	1.041	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1NCC[NH+]1CCC(OC)CC1	ZINC000641422961	696097500	/nfs/dbraw/zinc/09/75/00/696097500.db2.gz	KKFYGAIJBUFWLN-UHFFFAOYSA-N	1	0	353.488	1.674	20	30		FDEDRO
COc1cc(C(F)(F)N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c(C#N)c(Cl)n1	ZINC001164405438	718863271	/nfs/dbraw/zinc/86/32/71/718863271.db2.gz	RWXGLPXFUWASRL-ZWNOBZJWSA-N	1	0	372.803	1.975	20	30		FDEDRO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nccnc2C#N)CC1	ZINC001164819168	720292298	/nfs/dbraw/zinc/29/22/98/720292298.db2.gz	CMWKTFNWEHHEMX-SJORKVTESA-N	1	0	354.458	1.260	20	30		FDEDRO
Cc1nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cnc1C#N	ZINC001164832887	720333068	/nfs/dbraw/zinc/33/30/68/720333068.db2.gz	UQPBPLHTMPQAQY-ZWKOTPCHSA-N	1	0	368.485	1.568	20	30		FDEDRO
COc1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1C#N	ZINC001164739610	720674915	/nfs/dbraw/zinc/67/49/15/720674915.db2.gz	OFWJYJBZZDBGQZ-KGLIPLIRSA-N	1	0	352.398	1.094	20	30		FDEDRO
N#Cc1c[nH]c2nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)ccc12	ZINC001164738472	720711558	/nfs/dbraw/zinc/71/15/58/720711558.db2.gz	JWTPRKLSFIBDMQ-HUUCEWRRSA-N	1	0	361.409	1.566	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3nnc(Cl)cc3C#N)CC[C@@H]2C1	ZINC001164856566	720843805	/nfs/dbraw/zinc/84/38/05/720843805.db2.gz	WVOVCDBOKBJCHI-OCCSQVGLSA-N	1	0	351.838	1.175	20	30		FDEDRO
C=CCOc1cc(C)nc(N2CC[C@H]3C[N@H+](CCOC)CCO[C@H]3C2)n1	ZINC001164851556	720856684	/nfs/dbraw/zinc/85/66/84/720856684.db2.gz	AXXVLRVNPPWVCC-IRXDYDNUSA-N	1	0	362.474	1.523	20	30		FDEDRO
COc1nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)ncc1C#N	ZINC001164869470	721064553	/nfs/dbraw/zinc/06/45/53/721064553.db2.gz	SUMLABSTHUOWMW-IAGOWNOFSA-N	1	0	366.425	1.232	20	30		FDEDRO
N#Cc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(C#N)c1	ZINC001164978226	722108451	/nfs/dbraw/zinc/10/84/51/722108451.db2.gz	NZFWTZYHCYHXJP-UYAOXDASSA-N	1	0	374.448	1.947	20	30		FDEDRO
Cc1cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)ncc1C#N	ZINC001164999587	722252689	/nfs/dbraw/zinc/25/26/89/722252689.db2.gz	CYZNAHNWAUPYRG-UHFFFAOYSA-N	1	0	354.458	1.947	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)CCCF)C3)C1=O	ZINC001112511306	782259272	/nfs/dbraw/zinc/25/92/72/782259272.db2.gz	FAIYXTPDXREXSC-FCEWJHQRSA-N	1	0	351.466	1.741	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCCOC)C[C@H]1c1ccccc1	ZINC001211542053	782535900	/nfs/dbraw/zinc/53/59/00/782535900.db2.gz	WDEKZFZJXDXWNN-NZSAHSFTSA-N	1	0	371.481	1.135	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1	ZINC000277560625	782595525	/nfs/dbraw/zinc/59/55/25/782595525.db2.gz	ROZQAFZBCOOFMN-MRXNPFEDSA-N	1	0	373.428	1.909	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)NCCCC[N@H+]2CCC[C@H]2CO)c1	ZINC000866842975	768876034	/nfs/dbraw/zinc/87/60/34/768876034.db2.gz	HMARQIOYOJFJJS-HNNXBMFYSA-N	1	0	355.435	1.213	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](NC(=O)c2cc3n(c2)CCCC3)C1	ZINC001211498097	769914001	/nfs/dbraw/zinc/91/40/01/769914001.db2.gz	XVKDCJXBKRUZND-RVKKMQEKSA-N	1	0	356.470	1.012	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](NC(=O)c2cnc(C(C)C)s2)C1	ZINC001211498935	769941342	/nfs/dbraw/zinc/94/13/42/769941342.db2.gz	GYJKKEIPIVDQJB-MGPQQGTHSA-N	1	0	362.499	1.455	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2nccn2C)c1	ZINC001087210764	782810136	/nfs/dbraw/zinc/81/01/36/782810136.db2.gz	BXNSRJPBLGDZJI-QAPCUYQASA-N	1	0	351.454	1.827	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(F)cc2F)C1	ZINC001022737504	782810640	/nfs/dbraw/zinc/81/06/40/782810640.db2.gz	BKVFEDAFROCVGE-AQDKSWOWSA-N	1	0	366.408	1.826	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cnnn2CC)c1	ZINC001087211210	782825709	/nfs/dbraw/zinc/82/57/09/782825709.db2.gz	XDXPSWLJKNVIKS-QAPCUYQASA-N	1	0	366.469	1.705	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc(C3CCC3)n2C)C1	ZINC001020604569	770979382	/nfs/dbraw/zinc/97/93/82/770979382.db2.gz	DPTGQXKIOCUAFY-FPCVCCKLSA-N	1	0	359.474	1.411	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(F)cc2F)C1	ZINC001020605313	770984468	/nfs/dbraw/zinc/98/44/68/770984468.db2.gz	BKVFEDAFROCVGE-GZMRBYKVSA-N	1	0	366.408	1.826	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)N2CCC(C)CC2)C1	ZINC001020605346	770984598	/nfs/dbraw/zinc/98/45/98/770984598.db2.gz	CXQPPJXCNSZCHH-ZKXLYKBJSA-N	1	0	363.502	1.461	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(CCOC)CCC(=O)OC(C)(C)C)CC1	ZINC000890660090	770998889	/nfs/dbraw/zinc/99/88/89/770998889.db2.gz	QOGPEORYNJPLFX-UHFFFAOYSA-N	1	0	352.475	1.538	20	30		FDEDRO
COc1cccc(N2CCN(C(NCC(=O)N(C)C)=[NH+]C(C)C)CC2)c1	ZINC000074637010	771064280	/nfs/dbraw/zinc/06/42/80/771064280.db2.gz	DHEUTDQLMRCJKY-UHFFFAOYSA-N	1	0	361.490	1.259	20	30		FDEDRO
C=CCC1(NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CCCCC1	ZINC000655557229	771433139	/nfs/dbraw/zinc/43/31/39/771433139.db2.gz	RAUHITNZPGLXJL-GOSISDBHSA-N	1	0	364.534	1.971	20	30		FDEDRO
C=C(Br)C[NH2+]CC[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C	ZINC001104241280	771644780	/nfs/dbraw/zinc/64/47/80/771644780.db2.gz	UVGQXBRIFVVBLW-DGCLKSJQSA-N	1	0	356.268	1.261	20	30		FDEDRO
C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1	ZINC001167207267	771729555	/nfs/dbraw/zinc/72/95/55/771729555.db2.gz	KMVOMIOEMIIKFF-DLBZAZTESA-N	1	0	361.486	1.056	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]C[C@@H](O)CC(F)(F)F)CC1	ZINC001167277878	771857030	/nfs/dbraw/zinc/85/70/30/771857030.db2.gz	WLZMKYXLHUSBNZ-MJBXVCDLSA-N	1	0	364.408	1.767	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC(=O)NC)C1	ZINC001104249971	771997499	/nfs/dbraw/zinc/99/74/99/771997499.db2.gz	MPWNPZZBZOATMU-QLFBSQMISA-N	1	0	352.479	1.261	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)C2	ZINC001112481970	772044013	/nfs/dbraw/zinc/04/40/13/772044013.db2.gz	ZOSULXNRGWXCQT-CLWJZODNSA-N	1	0	361.486	1.041	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2c(C)nnn2CC)C1	ZINC000970220722	772129688	/nfs/dbraw/zinc/12/96/88/772129688.db2.gz	IRRWDAQEJVKKAY-RYRKJORJSA-N	1	0	361.490	1.668	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]2O)CC1	ZINC000970333596	772378602	/nfs/dbraw/zinc/37/86/02/772378602.db2.gz	JGGXXBXNYBANLU-IXDOHACOSA-N	1	0	351.491	1.007	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1	ZINC001104261011	772516819	/nfs/dbraw/zinc/51/68/19/772516819.db2.gz	HGKGTOOZIASFHT-LZQZEXGQSA-N	1	0	368.481	1.611	20	30		FDEDRO
C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)CCNC(=O)COC)C[C@H]1C	ZINC001104262750	772548321	/nfs/dbraw/zinc/54/83/21/772548321.db2.gz	LNSWTTLZSTVSGH-QZTJIDSGSA-N	1	0	367.534	1.960	20	30		FDEDRO
CCc1ncsc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104270617	772668530	/nfs/dbraw/zinc/66/85/30/772668530.db2.gz	GWZUTJORWAXNEV-CHWSQXEVSA-N	1	0	363.487	1.033	20	30		FDEDRO
C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCC(C#N)CC3)cc2)CC1	ZINC000177440443	772725339	/nfs/dbraw/zinc/72/53/39/772725339.db2.gz	DDMNAXDZZQOFLG-UHFFFAOYSA-N	1	0	369.469	1.529	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1	ZINC001021325946	772921207	/nfs/dbraw/zinc/92/12/07/772921207.db2.gz	ODZHIKALXGEBMT-BHYGNILZSA-N	1	0	355.442	1.044	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCN2CCCC2=O)C1	ZINC000970560347	772954372	/nfs/dbraw/zinc/95/43/72/772954372.db2.gz	LSOLPVWURCUABQ-AYBZRNKSSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ccc(C(N)=O)cc2)C1	ZINC000970569908	772983694	/nfs/dbraw/zinc/98/36/94/772983694.db2.gz	FAFYOGRJSNJDST-CCKFTAQKSA-N	1	0	371.481	1.703	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1	ZINC001104286974	773046528	/nfs/dbraw/zinc/04/65/28/773046528.db2.gz	OVPMCKKAAWZHFN-ATZDWAIDSA-N	1	0	368.481	1.659	20	30		FDEDRO
[NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1C(F)(F)F)C(F)(F)F	ZINC000655957770	773051579	/nfs/dbraw/zinc/05/15/79/773051579.db2.gz	FTNKTJKGRHCULK-QMMMGPOBSA-N	1	0	361.217	1.789	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1	ZINC000298887321	773069975	/nfs/dbraw/zinc/06/99/75/773069975.db2.gz	SQSZKISFJLVBPP-NWDGAFQWSA-N	1	0	365.430	1.763	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CCC1	ZINC000275670895	773078715	/nfs/dbraw/zinc/07/87/15/773078715.db2.gz	SGRQTXYUSFIJKE-GOSISDBHSA-N	1	0	355.486	1.890	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnoc1-c1cnn(C)c1)C2	ZINC001112487866	773148836	/nfs/dbraw/zinc/14/88/36/773148836.db2.gz	NGWKLWMVICLCDG-JXFKEZNVSA-N	1	0	367.453	1.930	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H](O)[C@H](O)c2nc3ccccc3[nH]2)CC1	ZINC000275714111	773265515	/nfs/dbraw/zinc/26/55/15/773265515.db2.gz	RCZXKPFJTCBVPS-DLBZAZTESA-N	1	0	358.442	1.114	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(CCF)CC1)C2	ZINC001112491032	773524324	/nfs/dbraw/zinc/52/43/24/773524324.db2.gz	BLHOMTLTHCJXGN-GUXCAODWSA-N	1	0	363.477	1.482	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCCS2(=O)=O)C[C@H]1C	ZINC001104289553	773586715	/nfs/dbraw/zinc/58/67/15/773586715.db2.gz	NGGLMSOJWGZBKI-ZACQAIPSSA-N	1	0	356.532	1.994	20	30		FDEDRO
C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC000275752653	773600780	/nfs/dbraw/zinc/60/07/80/773600780.db2.gz	BLTRCZXRQYRYAI-CQSZACIVSA-N	1	0	358.442	1.716	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1	ZINC000275761257	773679528	/nfs/dbraw/zinc/67/95/28/773679528.db2.gz	PMDKBRYVLLQRCV-UHFFFAOYSA-N	1	0	361.417	1.719	20	30		FDEDRO
CCOC(=O)c1cnc(N(Cc2ccccc2)C2(C[NH3+])COC2)c(C#N)c1	ZINC001167371124	773956538	/nfs/dbraw/zinc/95/65/38/773956538.db2.gz	PDIVIMDTOVQNFW-UHFFFAOYSA-N	1	0	366.421	1.864	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc2c1OCCO2	ZINC000275812066	773972789	/nfs/dbraw/zinc/97/27/89/773972789.db2.gz	IXKRQDXNCLQLDH-UHFFFAOYSA-N	1	0	360.414	1.090	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnns2)C1	ZINC001104305971	774436704	/nfs/dbraw/zinc/43/67/04/774436704.db2.gz	CQKDGKTYDVZBHZ-INMHGKMJSA-N	1	0	361.515	1.210	20	30		FDEDRO
C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C[C@H]1C	ZINC001104308003	774479867	/nfs/dbraw/zinc/47/98/67/774479867.db2.gz	XSPLJJYUJUJLHY-MKXGPGLRSA-N	1	0	359.514	1.875	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1CC[NH2+]Cc1ccccc1C#N	ZINC001104309407	774547495	/nfs/dbraw/zinc/54/74/95/774547495.db2.gz	ZKGXFFWQZXJKLU-GJJHYRHESA-N	1	0	371.481	1.936	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@]2(C3CCCC3)CCNC2=O)C[C@H]1C	ZINC001104312661	774595757	/nfs/dbraw/zinc/59/57/57/774595757.db2.gz	MCRHATYDPDVGQU-LZJOCLMNSA-N	1	0	359.514	1.780	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(-c4ccccn4)c3)[C@H]2C1	ZINC001083211800	774771047	/nfs/dbraw/zinc/77/10/47/774771047.db2.gz	QMXZZTHDADFUTG-DLBZAZTESA-N	1	0	353.426	1.369	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21	ZINC000275987911	774861182	/nfs/dbraw/zinc/86/11/82/774861182.db2.gz	QANRDYQAJSIMON-ZBFHGGJFSA-N	1	0	356.426	1.448	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1CC[NH2+]CC#Cc1ccccc1	ZINC001104320910	774931272	/nfs/dbraw/zinc/93/12/72/774931272.db2.gz	KKMDVUFXMAIGAH-MISYRCLQSA-N	1	0	367.493	1.639	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000656317480	774955004	/nfs/dbraw/zinc/95/50/04/774955004.db2.gz	XVMRWZHLECSYBL-INIZCTEOSA-N	1	0	350.507	1.134	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H]3CCN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)C1	ZINC001021752463	775021953	/nfs/dbraw/zinc/02/19/53/775021953.db2.gz	VXLJTVVSHCGJDW-OKZBNKHCSA-N	1	0	357.498	1.744	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2ocnc2C)C1=O	ZINC001087141992	775160203	/nfs/dbraw/zinc/16/02/03/775160203.db2.gz	COJAWNUMJAZZOK-KBMXLJTQSA-N	1	0	360.458	1.600	20	30		FDEDRO
CN1C(=O)C(=C(N)NOCc2ccccc2[N+](=O)[O-])C(=[NH2+])C12CCCC2	ZINC000063456354	775178466	/nfs/dbraw/zinc/17/84/66/775178466.db2.gz	HDGLQUHGEQRABH-UHFFFAOYSA-N	1	0	359.386	1.381	20	30		FDEDRO
C=CCCOCCNC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000413411873	775509977	/nfs/dbraw/zinc/50/99/77/775509977.db2.gz	WSWGQQACTUHCSF-UHFFFAOYSA-N	1	0	361.486	1.905	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCC[C@H](C)C1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1	ZINC000261858507	775534805	/nfs/dbraw/zinc/53/48/05/775534805.db2.gz	ZALPYEIBJADXRY-IQUTYRLHSA-N	1	0	363.506	1.698	20	30		FDEDRO
C=C(Cl)CN1C[C@H]2OCCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@H]2C1	ZINC001083215401	775719053	/nfs/dbraw/zinc/71/90/53/775719053.db2.gz	XNEQYWHFXJLCMG-YESZJQIVSA-N	1	0	355.910	1.915	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)CN2c3ccccc3CC2=O)C[C@H]1C	ZINC001104724715	790398957	/nfs/dbraw/zinc/39/89/57/790398957.db2.gz	BXNOKYDOBCHUSU-SJLPKXTDSA-N	1	0	353.466	1.673	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H](C[NH2+]Cc2ccn(C)c(=O)c2)C1	ZINC001087151349	775992736	/nfs/dbraw/zinc/99/27/36/775992736.db2.gz	JKNLRFNJIJBUST-PBHICJAKSA-N	1	0	367.453	1.616	20	30		FDEDRO
C=CC[S@@](=O)(=NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1ccccc1	ZINC000891376390	776215401	/nfs/dbraw/zinc/21/54/01/776215401.db2.gz	GWNDUAXSFDKTTM-BZQUYTCOSA-N	1	0	363.483	1.636	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4CC=CCC4)C[C@H]32)CC1	ZINC001021883539	776484160	/nfs/dbraw/zinc/48/41/60/776484160.db2.gz	HWCNRNTZDQCFHK-YZGWKJHDSA-N	1	0	369.509	1.747	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C4(C)CC=CC4)C[C@H]32)CC1	ZINC001021883803	776486002	/nfs/dbraw/zinc/48/60/02/776486002.db2.gz	KRDHWDUYWZOVNN-RBUKOAKNSA-N	1	0	369.509	1.747	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C(CC)CC)C[C@H]32)CC1	ZINC001021884210	776498421	/nfs/dbraw/zinc/49/84/21/776498421.db2.gz	ULESXEVIMLELRM-RBUKOAKNSA-N	1	0	359.514	1.827	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C23CCC(CC2)C3)C[C@H]1C	ZINC001104353652	776810511	/nfs/dbraw/zinc/81/05/11/776810511.db2.gz	CTMMEQQKRPBXNG-UHBAUZOWSA-N	1	0	359.514	1.779	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)c4ncoc4C)[C@@H]3C2)CC1	ZINC000971493568	777295051	/nfs/dbraw/zinc/29/50/51/777295051.db2.gz	LVUUBMWCMOELBA-IAGOWNOFSA-N	1	0	370.453	1.001	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)cc1	ZINC001112505950	777436069	/nfs/dbraw/zinc/43/60/69/777436069.db2.gz	QDMFXJCSKUNGDF-RXVVDRJESA-N	1	0	364.449	1.140	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C4=COCCC4)[C@@H]3C2)CC1	ZINC000971544158	777563049	/nfs/dbraw/zinc/56/30/49/777563049.db2.gz	MQYWIGCXJMAMLE-IEBWSBKVSA-N	1	0	371.481	1.085	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCn2cc(Cl)cn2)C1	ZINC001022100051	777921889	/nfs/dbraw/zinc/92/18/89/777921889.db2.gz	XQFANHQKQLSOIG-QXSJWSMHSA-N	1	0	352.866	1.755	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N3C4CCC3(C[NH3+])CC4)CC2)nc1	ZINC000891498553	778146846	/nfs/dbraw/zinc/14/68/46/778146846.db2.gz	MCTFXCMKKXYHEI-UHFFFAOYSA-N	1	0	354.458	1.587	20	30		FDEDRO
CC[NH+]1CCN(CCCNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1	ZINC000471752470	778372301	/nfs/dbraw/zinc/37/23/01/778372301.db2.gz	YWOZJEUVVDKEAE-IBGZPJMESA-N	1	0	353.470	1.384	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)CCOC[C@@H]2CCCO2)C[C@H]1C	ZINC001104376919	778690247	/nfs/dbraw/zinc/69/02/47/778690247.db2.gz	ZDGZYVJMDQWPGM-QRVBRYPASA-N	1	0	366.502	1.296	20	30		FDEDRO
Cc1noc(C[C@H]2CCC[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)n1	ZINC000933576852	778799520	/nfs/dbraw/zinc/79/95/20/778799520.db2.gz	QHWOTVKYPNRPKI-IAGOWNOFSA-N	1	0	356.426	1.944	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2c[nH]nc2CCC)C[C@H]1C	ZINC001104377587	778988076	/nfs/dbraw/zinc/98/80/76/778988076.db2.gz	HTOXHQOOMUKBSD-HUUCEWRRSA-N	1	0	361.490	1.352	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(C)on2)C[C@H]1c1ccccc1	ZINC001211522572	779115572	/nfs/dbraw/zinc/11/55/72/779115572.db2.gz	XHYLCDNUKXKPJD-FUHWJXTLSA-N	1	0	368.437	1.483	20	30		FDEDRO
COc1ccc(CNC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1C#N	ZINC000891702777	779119890	/nfs/dbraw/zinc/11/98/90/779119890.db2.gz	ZFIJSGXANWIXOC-QWHCGFSZSA-N	1	0	356.348	1.845	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]21	ZINC001022317152	779323744	/nfs/dbraw/zinc/32/37/44/779323744.db2.gz	RVJHQSBLPYTDEV-SLFFLAALSA-N	1	0	365.477	1.221	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21	ZINC001022317316	779324713	/nfs/dbraw/zinc/32/47/13/779324713.db2.gz	XNBDTXKECLFLDC-VQTJNVASSA-N	1	0	365.477	1.366	20	30		FDEDRO
C[NH+]1CCC(N(Cc2ccco2)C(=O)NCCn2cnc(C#N)n2)CC1	ZINC000510626107	779465223	/nfs/dbraw/zinc/46/52/23/779465223.db2.gz	ARBVCISUIRNHOM-UHFFFAOYSA-N	1	0	357.418	1.049	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@]34CCC[C@H]3[NH2+]CC4)C2=O)cc1	ZINC000891851771	779754428	/nfs/dbraw/zinc/75/44/28/779754428.db2.gz	PGPDGYLQWQMKQS-QKLQHJQFSA-N	1	0	367.453	1.243	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cncc3[nH]ccc32)C[C@H]1C	ZINC001104388399	780262189	/nfs/dbraw/zinc/26/21/89/780262189.db2.gz	VSRLNYZVJPNEHQ-HUUCEWRRSA-N	1	0	367.453	1.000	20	30		FDEDRO
COC(=O)C[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C(C)(C)C	ZINC000934031717	780650536	/nfs/dbraw/zinc/65/05/36/780650536.db2.gz	OSOIDEALOQGUAB-HOTGVXAUSA-N	1	0	366.506	1.246	20	30		FDEDRO
COC(=O)C[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)C(C)(C)C	ZINC000934031716	780650898	/nfs/dbraw/zinc/65/08/98/780650898.db2.gz	OSOIDEALOQGUAB-CVEARBPZSA-N	1	0	366.506	1.246	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cc4c([nH]c3=O)CCCC4)[C@H]2C1	ZINC001083231100	780784437	/nfs/dbraw/zinc/78/44/37/780784437.db2.gz	JZBBACLJRZUGEU-ZWKOTPCHSA-N	1	0	357.454	1.767	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@](C)(O)CN2Cc3ccccc3C2=O)CC1	ZINC000277169744	780958474	/nfs/dbraw/zinc/95/84/74/780958474.db2.gz	RKYVUPIZNAOHEW-FQEVSTJZSA-N	1	0	357.454	1.160	20	30		FDEDRO
Cn1cncc1C[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@H]1c1ccccc1	ZINC001211538054	781793318	/nfs/dbraw/zinc/79/33/18/781793318.db2.gz	PKCVPXFJADUXTL-ZWKOTPCHSA-N	1	0	369.494	1.761	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C[C@H]2COCCN2C(=O)OC(C)(C)C)CC1	ZINC000375662956	781830865	/nfs/dbraw/zinc/83/08/65/781830865.db2.gz	ACSDNBSOLXWCPJ-INIZCTEOSA-N	1	0	367.490	1.779	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)CC1	ZINC000375663911	781855818	/nfs/dbraw/zinc/85/58/18/781855818.db2.gz	FLNKUQJAFUSRPJ-GBESFXJTSA-N	1	0	359.514	1.877	20	30		FDEDRO
CC(C)[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@H](O)COc1ccccc1	ZINC000277797905	783348258	/nfs/dbraw/zinc/34/82/58/783348258.db2.gz	OBXIETPJFNGQFE-PXNSSMCTSA-N	1	0	359.470	1.945	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCN(CC(F)F)C1)C2	ZINC001112518436	783631820	/nfs/dbraw/zinc/63/18/20/783631820.db2.gz	IUMNYBQPCRYSEN-BXWFABGCSA-N	1	0	353.457	1.815	20	30		FDEDRO
C=CCCNC(=O)C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000658390314	783988415	/nfs/dbraw/zinc/98/84/15/783988415.db2.gz	WCLVNAOWDHXRNM-QGZVFWFLSA-N	1	0	367.453	1.961	20	30		FDEDRO
C[C@@H](CCNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1)[NH+](C)C	ZINC000658426064	784017917	/nfs/dbraw/zinc/01/79/17/784017917.db2.gz	VDERWHQIIPHVNN-INIZCTEOSA-N	1	0	364.449	1.876	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001024157823	784032609	/nfs/dbraw/zinc/03/26/09/784032609.db2.gz	HRJZMIDEFFZJNE-OIISXLGYSA-N	1	0	370.453	1.016	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cnoc2CC)C[C@H]1C	ZINC001104742763	791021264	/nfs/dbraw/zinc/02/12/64/791021264.db2.gz	KMUPPDZJIXXQMR-RBSFLKMASA-N	1	0	360.458	1.063	20	30		FDEDRO
C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)NCC(=O)NCC#N)CC1	ZINC000377072350	791029101	/nfs/dbraw/zinc/02/91/01/791029101.db2.gz	NLESGXIPIRELHN-KRWDZBQOSA-N	1	0	357.458	1.322	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1	ZINC001024384324	784582018	/nfs/dbraw/zinc/58/20/18/784582018.db2.gz	UMJNKHYNFYVQHX-GPMSIDNRSA-N	1	0	363.502	1.153	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1	ZINC000658633564	784739133	/nfs/dbraw/zinc/73/91/33/784739133.db2.gz	FOFZRQVPPCPZBY-SFHVURJKSA-N	1	0	359.470	1.428	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(C#N)c2)O1	ZINC001024506507	784968011	/nfs/dbraw/zinc/96/80/11/784968011.db2.gz	MCRZBVRVNLXBNY-NSISKUIASA-N	1	0	370.497	1.748	20	30		FDEDRO
CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1	ZINC000892479290	785051649	/nfs/dbraw/zinc/05/16/49/785051649.db2.gz	XJYMRDWGCDPMSK-OAHLLOKOSA-N	1	0	356.474	1.563	20	30		FDEDRO
C[C@H](CO)[N@@H+]1CCCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC1	ZINC000364936464	785235583	/nfs/dbraw/zinc/23/55/83/785235583.db2.gz	OGXJNHQDPPBCKF-MRXNPFEDSA-N	1	0	372.469	1.582	20	30		FDEDRO
CCCN1C[C@@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CC1=O	ZINC000413704287	785243726	/nfs/dbraw/zinc/24/37/26/785243726.db2.gz	XPJYNERCCQFGFO-SFHVURJKSA-N	1	0	368.481	1.919	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O	ZINC000413834248	785495040	/nfs/dbraw/zinc/49/50/40/785495040.db2.gz	LPCSYDZWJGVODO-MSOLQXFVSA-N	1	0	358.486	1.813	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1cncc(OC)n1	ZINC001024661604	785651477	/nfs/dbraw/zinc/65/14/77/785651477.db2.gz	JKIYUJCAJYDSDJ-ZACQAIPSSA-N	1	0	360.458	1.547	20	30		FDEDRO
C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC001024701431	785779893	/nfs/dbraw/zinc/77/98/93/785779893.db2.gz	CJUQKGKPBHZHHO-WSTZPKSXSA-N	1	0	368.481	1.595	20	30		FDEDRO
C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCN(CC[N@@H+]2CCCOCC2)CC1	ZINC000376097125	785865488	/nfs/dbraw/zinc/86/54/88/785865488.db2.gz	YISVRODYVZCKOS-RTBURBONSA-N	1	0	365.518	1.224	20	30		FDEDRO
C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)n2cccc2)C1	ZINC001111944855	786652866	/nfs/dbraw/zinc/65/28/66/786652866.db2.gz	WZHKULFTQJROAC-ZWOKBUDYSA-N	1	0	358.486	1.712	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)NCC#CCO)CC1	ZINC000923782327	786698174	/nfs/dbraw/zinc/69/81/74/786698174.db2.gz	OVKFALYPMUIKQK-OAHLLOKOSA-N	1	0	362.449	1.324	20	30		FDEDRO
COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cnc3ccc(C#N)cn23)C1	ZINC000511475827	786973664	/nfs/dbraw/zinc/97/36/64/786973664.db2.gz	FXJCSYYGDIQUMU-GDBMZVCRSA-N	1	0	355.442	1.569	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001024966696	786995097	/nfs/dbraw/zinc/99/50/97/786995097.db2.gz	IGAHZMYCSGWIAS-ATZDWAIDSA-N	1	0	368.481	1.944	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2ccc(OC)cc2)C1	ZINC001111952760	787050207	/nfs/dbraw/zinc/05/02/07/787050207.db2.gz	ZMBXJFDUMKGQRJ-RXVVDRJESA-N	1	0	356.466	1.858	20	30		FDEDRO
CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1	ZINC000376323029	787278880	/nfs/dbraw/zinc/27/88/80/787278880.db2.gz	GCORJHQMCAHRDL-LZLYRXPVSA-N	1	0	362.426	1.340	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCNC(=O)[C@H]2c2ccccc2F)CC1	ZINC000376355525	787426666	/nfs/dbraw/zinc/42/66/66/787426666.db2.gz	SZNFVPHBDXDKPN-QGZVFWFLSA-N	1	0	360.433	1.659	20	30		FDEDRO
C#CC[C@@H](C)NC(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000376374372	787492651	/nfs/dbraw/zinc/49/26/51/787492651.db2.gz	FGBBADDIICKJHP-QUCCMNQESA-N	1	0	354.498	2.000	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COC2CCOCC2)C[C@H]1c1ccccc1	ZINC001211684277	805805916	/nfs/dbraw/zinc/80/59/16/805805916.db2.gz	QAZGCJSMVNQGCK-VQTJNVASSA-N	1	0	356.466	1.790	20	30		FDEDRO
Cc1nn(C)c(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1C#N	ZINC000892616963	787740624	/nfs/dbraw/zinc/74/06/24/787740624.db2.gz	QPQGIBOBOABXRH-DOTOQJQBSA-N	1	0	369.473	1.786	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C1=O	ZINC000659040553	787868885	/nfs/dbraw/zinc/86/88/85/787868885.db2.gz	GFODELGGWIUPOL-DLBZAZTESA-N	1	0	358.442	1.598	20	30		FDEDRO
C=CCN(C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)[C@@H]1CCS(=O)(=O)C1	ZINC000659251723	788316306	/nfs/dbraw/zinc/31/63/06/788316306.db2.gz	JVVTUYFNSVEGMA-IAGOWNOFSA-N	1	0	362.495	1.881	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1	ZINC000973268019	788448043	/nfs/dbraw/zinc/44/80/43/788448043.db2.gz	KKRAODZHQMQGQF-TXTZMMAHSA-N	1	0	363.502	1.604	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CCCC2(F)F)C[C@H]1C	ZINC001104589056	788759697	/nfs/dbraw/zinc/75/96/97/788759697.db2.gz	TYHCMTLEUHLWHG-BZUAXINKSA-N	1	0	369.456	1.636	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cccnc2C)C[C@H]1C	ZINC001104601460	788838507	/nfs/dbraw/zinc/83/85/07/788838507.db2.gz	ODVDNGVJEBECAU-DJIMGWMZSA-N	1	0	356.470	1.216	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCO[C@H](C)C2)C1	ZINC001104607394	788851160	/nfs/dbraw/zinc/85/11/60/788851160.db2.gz	RNTCZTFQCDRZTH-KZNAEPCWSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnco2)C[C@H]1c1ccccc1	ZINC001211645285	788863408	/nfs/dbraw/zinc/86/34/08/788863408.db2.gz	XERXUBJHAHXHPU-HYVNUMGLSA-N	1	0	368.437	1.563	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1CC[NH2+]CC#Cc1ccccc1	ZINC001104628772	789012367	/nfs/dbraw/zinc/01/23/67/789012367.db2.gz	XMOJESZSCWJZJZ-SJLPKXTDSA-N	1	0	366.465	1.865	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)C(=O)Nc2sccc2C#N)Cc2ccccc2C1	ZINC000293406579	789109245	/nfs/dbraw/zinc/10/92/45/789109245.db2.gz	MYQPQGSOLIEXPN-UHFFFAOYSA-N	1	0	368.462	1.774	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H]3CCC(=O)NC3=O)C2)CCC1	ZINC001104639806	789111272	/nfs/dbraw/zinc/11/12/72/789111272.db2.gz	WXMQTSZQESFRAI-BZUAXINKSA-N	1	0	361.486	1.612	20	30		FDEDRO
COC[C@H](OC)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001104648422	789161814	/nfs/dbraw/zinc/16/18/14/789161814.db2.gz	LRFLZNMMACQWOJ-LZQZEXGQSA-N	1	0	359.470	1.794	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]C[C@H](O)COCCOC)C2)C1	ZINC001104652188	789174219	/nfs/dbraw/zinc/17/42/19/789174219.db2.gz	IPAVKPLCLQDSFD-KURKYZTESA-N	1	0	368.518	1.441	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NCC=C)C2)c1	ZINC001104659375	789180643	/nfs/dbraw/zinc/18/06/43/789180643.db2.gz	JANUFRSBBOBEEO-JFIYKMOQSA-N	1	0	368.481	1.441	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cncn3C)C2)c1	ZINC001104659650	789181668	/nfs/dbraw/zinc/18/16/68/789181668.db2.gz	RJJHFUZFTWIDFB-NVXWUHKLSA-N	1	0	351.454	1.684	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnnn3C)C2)c1	ZINC001104659405	789181706	/nfs/dbraw/zinc/18/17/06/789181706.db2.gz	JSUCZXDXXAPABG-GDBMZVCRSA-N	1	0	352.442	1.079	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1	ZINC000659633179	789324727	/nfs/dbraw/zinc/32/47/27/789324727.db2.gz	QPBRAUOCTPQFDI-UHFFFAOYSA-N	1	0	357.414	1.547	20	30		FDEDRO
C#CC[C@H](C)NC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1	ZINC000376663188	789618178	/nfs/dbraw/zinc/61/81/78/789618178.db2.gz	GWYDHLYMNAHZPM-HNNXBMFYSA-N	1	0	356.470	1.684	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000278809327	789661879	/nfs/dbraw/zinc/66/18/79/789661879.db2.gz	YUVIWQSUBJVNDQ-QZTJIDSGSA-N	1	0	359.470	1.575	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1	ZINC000659735665	789666159	/nfs/dbraw/zinc/66/61/59/789666159.db2.gz	LGZASXWJEZRKFN-DLBZAZTESA-N	1	0	363.433	1.178	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2COc3ccccc32)C1	ZINC001112021665	789667644	/nfs/dbraw/zinc/66/76/44/789667644.db2.gz	ZULOUUAYMASFHX-CDXJDZJCSA-N	1	0	354.450	1.783	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC[C@@H]2CCCCO2)C[C@H]1C	ZINC001104744595	791233607	/nfs/dbraw/zinc/23/36/07/791233607.db2.gz	SHIHCWZEPHKFPG-KURKYZTESA-N	1	0	365.518	1.712	20	30		FDEDRO
C[C@@H]1CN(C(=O)COc2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1	ZINC000377373377	791655081	/nfs/dbraw/zinc/65/50/81/791655081.db2.gz	MDIUTSNYGVZSTP-MRXNPFEDSA-N	1	0	356.470	1.564	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1	ZINC000979175634	806089562	/nfs/dbraw/zinc/08/95/62/806089562.db2.gz	MUOMCMQYVLFOOV-WEVKCVHISA-N	1	0	363.502	1.319	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C	ZINC001104746563	791743888	/nfs/dbraw/zinc/74/38/88/791743888.db2.gz	OILZZSJQSCKCOM-BPLDGKMQSA-N	1	0	362.923	1.638	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1CC(N)=NOCC(=O)NCCOc1cccc(F)c1	ZINC000174146866	791744620	/nfs/dbraw/zinc/74/46/20/791744620.db2.gz	LKOFZJLPVVVYSO-AWEZNQCLSA-N	1	0	366.437	1.484	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2Cc3ccccc3CO2)CC1	ZINC000636675887	806096905	/nfs/dbraw/zinc/09/69/05/806096905.db2.gz	CKOZUBVVSVKYEO-SFHVURJKSA-N	1	0	357.454	1.011	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1	ZINC001025744688	791920988	/nfs/dbraw/zinc/92/09/88/791920988.db2.gz	HVVUGARECISCAC-IXDOHACOSA-N	1	0	365.518	1.541	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)cc1C#N	ZINC000415405685	792187995	/nfs/dbraw/zinc/18/79/95/792187995.db2.gz	YVJILPWLEAMBLJ-ZDUSSCGKSA-N	1	0	358.442	1.870	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)CN4CCCC4=O)[C@@H]3C2)c1	ZINC001075535098	792227841	/nfs/dbraw/zinc/22/78/41/792227841.db2.gz	SNTIVNFAOJVJCL-ZWKOTPCHSA-N	1	0	352.438	1.213	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)NC2CC[NH2+]CC2)c(C#N)cn1CCOC	ZINC000415486043	792353264	/nfs/dbraw/zinc/35/32/64/792353264.db2.gz	JKBNZBWBQQXLHK-UHFFFAOYSA-N	1	0	363.418	1.056	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)N2CCC[NH2+]CC2)c(C#N)cn1CCOC	ZINC000415487890	792354370	/nfs/dbraw/zinc/35/43/70/792354370.db2.gz	LAQJWTCTCLLJEP-UHFFFAOYSA-N	1	0	363.418	1.010	20	30		FDEDRO
CC1(C)C[N@@H+](C2(CNC(=O)N3CCO[C@H](C#N)C3)CCCCC2)CCO1	ZINC000377630136	792358859	/nfs/dbraw/zinc/35/88/59/792358859.db2.gz	XMENPXVEGRZZEZ-MRXNPFEDSA-N	1	0	364.490	1.734	20	30		FDEDRO
C#CCCN1C[C@H]2OCCN(C(=O)c3cc(Cl)cc4c3OCC4)[C@H]2C1	ZINC001083286416	792381347	/nfs/dbraw/zinc/38/13/47/792381347.db2.gz	IUFJYIDSRVRSSJ-DLBZAZTESA-N	1	0	360.841	1.823	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1	ZINC000377657711	792448701	/nfs/dbraw/zinc/44/87/01/792448701.db2.gz	VJQLCZJDPDKLTJ-XHSDSOJGSA-N	1	0	370.453	1.398	20	30		FDEDRO
Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)cc1C	ZINC000377685130	792508730	/nfs/dbraw/zinc/50/87/30/792508730.db2.gz	XWBOIDUCUGLALU-SJLPKXTDSA-N	1	0	354.454	1.618	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1	ZINC000415581014	792595475	/nfs/dbraw/zinc/59/54/75/792595475.db2.gz	MVTLHYQAISMFQD-WBAXXEDZSA-N	1	0	370.453	1.893	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)NCC#Cc2cccc(F)c2)CC1	ZINC000511532351	792781743	/nfs/dbraw/zinc/78/17/43/792781743.db2.gz	ORVMOPYVMCVIMX-QGZVFWFLSA-N	1	0	360.477	1.750	20	30		FDEDRO
C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1	ZINC000415684185	792808867	/nfs/dbraw/zinc/80/88/67/792808867.db2.gz	DYDLJBWBMXKPQX-HNNXBMFYSA-N	1	0	370.331	1.593	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1	ZINC000415742943	792913127	/nfs/dbraw/zinc/91/31/27/792913127.db2.gz	LVISAPPKECVAKL-HDJSIYSDSA-N	1	0	358.442	1.777	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1	ZINC000415759189	792930529	/nfs/dbraw/zinc/93/05/29/792930529.db2.gz	DPOHRBQUKNIFQK-UHFFFAOYSA-N	1	0	356.426	1.498	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCCC[C@H]3C)C[C@H]21	ZINC001026054267	793014551	/nfs/dbraw/zinc/01/45/51/793014551.db2.gz	LYKIVMJHXHNRNO-VMENWCDDSA-N	1	0	361.486	1.025	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)ccc1OC(F)(F)F	ZINC000415813260	793043112	/nfs/dbraw/zinc/04/31/12/793043112.db2.gz	FQSVUUGTELZUQJ-SKDRFNHKSA-N	1	0	368.315	1.216	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)c1	ZINC000415902360	793329779	/nfs/dbraw/zinc/32/97/79/793329779.db2.gz	YCCJIEKNIIEXMX-NEPJUHHUSA-N	1	0	364.352	1.166	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1	ZINC000415899050	793343451	/nfs/dbraw/zinc/34/34/51/793343451.db2.gz	ULYLUKOIZXYPSX-CABCVRRESA-N	1	0	356.426	1.352	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N(CC)CC)C[C@H]21	ZINC001114950116	793417622	/nfs/dbraw/zinc/41/76/22/793417622.db2.gz	VDLVYXYLGAJHPI-APWQULEDSA-N	1	0	363.502	1.273	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C(F)(F)F	ZINC001112045709	793492496	/nfs/dbraw/zinc/49/24/96/793492496.db2.gz	JYZNSXPTTQANKI-VXGBXAGGSA-N	1	0	350.385	1.380	20	30		FDEDRO
C=CC[C@H](CO)CNC(=O)Nc1ccccc1OCCN1CC[NH2+]CC1	ZINC000416028911	793511196	/nfs/dbraw/zinc/51/11/96/793511196.db2.gz	MXRAYKMOTHBPFN-INIZCTEOSA-N	1	0	362.474	1.277	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccn2ccnc2c1	ZINC000290576752	793518926	/nfs/dbraw/zinc/51/89/26/793518926.db2.gz	FPIYMIIHYGDYNC-CYBMUJFWSA-N	1	0	362.397	1.739	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnc3cccnn32)C[C@H]1C	ZINC001104764580	793536027	/nfs/dbraw/zinc/53/60/27/793536027.db2.gz	OSWJOPXKUSFLNW-HZPDHXFCSA-N	1	0	355.442	1.067	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2scnc2COC)C[C@H]1C	ZINC001104772937	793580140	/nfs/dbraw/zinc/58/01/40/793580140.db2.gz	WMDMSHNPSQVRNR-HUUCEWRRSA-N	1	0	365.499	1.627	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@]2(C)CCCS2(=O)=O)C[C@H]1C	ZINC001104781612	793627945	/nfs/dbraw/zinc/62/79/45/793627945.db2.gz	ZJSTUFDKVUBJNA-NUJGCVRESA-N	1	0	356.532	1.994	20	30		FDEDRO
C[C@@H](NC(=O)NCC(=O)NCC[NH+]1CCCCCC1)c1ccc(C#N)cc1	ZINC000431859137	793682413	/nfs/dbraw/zinc/68/24/13/793682413.db2.gz	FGVHMFMWWZQEEI-MRXNPFEDSA-N	1	0	371.485	1.911	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)nn2)C[C@H]1C	ZINC001104790019	793699107	/nfs/dbraw/zinc/69/91/07/793699107.db2.gz	NCVLRRWDHVGSLL-HZPDHXFCSA-N	1	0	354.458	1.926	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CN2CN=NC2=O)C1	ZINC001087425618	806267216	/nfs/dbraw/zinc/26/72/16/806267216.db2.gz	HNCCZHHGYPZDIR-IAGOWNOFSA-N	1	0	355.442	1.534	20	30		FDEDRO
O=C(N[C@H]1CCOC2(CCC2)C1)[C@H]1CC(=O)N(CCN2CCOCC2)C1	ZINC000330187588	793776860	/nfs/dbraw/zinc/77/68/60/793776860.db2.gz	KMYNKUPURQAUNV-HOTGVXAUSA-N	1	0	365.474	1.225	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H](C)CNc1ncnc2c1CN(C)CC2	ZINC001104808582	793800087	/nfs/dbraw/zinc/80/00/87/793800087.db2.gz	WMAZCVGQGYRGSW-CPUCHLNUSA-N	1	0	359.474	1.314	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnon2)C[C@H]1CC[NH2+]Cc1ccc(OCC#N)cc1	ZINC001104816863	793873203	/nfs/dbraw/zinc/87/32/03/793873203.db2.gz	PEIMPTADUSSHNL-GDBMZVCRSA-N	1	0	369.425	1.860	20	30		FDEDRO
CN(CC(=O)N[C@@](C)(C#N)C1CC1)C1CC[NH+](Cc2ccncc2)CC1	ZINC000378299537	793913324	/nfs/dbraw/zinc/91/33/24/793913324.db2.gz	PQAIEBWQKWDOTP-FQEVSTJZSA-N	1	0	355.486	1.786	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)COCc2ccncc2)C[C@H]1C	ZINC001104836615	793976979	/nfs/dbraw/zinc/97/69/79/793976979.db2.gz	VOJMNAQAHCQSKO-IEBWSBKVSA-N	1	0	361.486	1.875	20	30		FDEDRO
CN(C(=O)C[N@@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1)C1(C#N)CCCCC1	ZINC000378364098	794021060	/nfs/dbraw/zinc/02/10/60/794021060.db2.gz	OIOXYABAKBOHST-ROUUACIJSA-N	1	0	373.501	1.993	20	30		FDEDRO
C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCCC(=O)Nc1ccccc1C#N	ZINC000416317583	794026071	/nfs/dbraw/zinc/02/60/71/794026071.db2.gz	XAWUEJHZACVYKM-JKSUJKDBSA-N	1	0	372.469	1.581	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cncc(OCCOC)c2)C[C@H]1C	ZINC001104855277	794073739	/nfs/dbraw/zinc/07/37/39/794073739.db2.gz	FIWATRQIEVRPQD-IAGOWNOFSA-N	1	0	359.470	1.818	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](Cc2nnc3ccccn32)C1	ZINC000363826991	794136263	/nfs/dbraw/zinc/13/62/63/794136263.db2.gz	UBOPAFWGADZROB-MRXNPFEDSA-N	1	0	354.458	1.746	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C	ZINC001104879308	794184082	/nfs/dbraw/zinc/18/40/82/794184082.db2.gz	ILOMBRRYVYOOTE-BRWVUGGUSA-N	1	0	356.532	1.852	20	30		FDEDRO
Cn1nc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccc1=O	ZINC000378479855	794195980	/nfs/dbraw/zinc/19/59/80/794195980.db2.gz	XPFIMSAWGFLHGB-UHFFFAOYSA-N	1	0	351.410	1.068	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)c2cn([C@H]3CCOC3)nn2)C[C@H]1C	ZINC001104882482	794196434	/nfs/dbraw/zinc/19/64/34/794196434.db2.gz	AQNLRSDJOFQUAK-ZACQAIPSSA-N	1	0	361.490	1.894	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C)C2)C[C@H]1C	ZINC001104890409	794234007	/nfs/dbraw/zinc/23/40/07/794234007.db2.gz	XNLQULRDQMDTOJ-BRWVUGGUSA-N	1	0	351.491	1.132	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)COc2ccsc2)C[C@H]1C	ZINC001104910465	794365336	/nfs/dbraw/zinc/36/53/36/794365336.db2.gz	HXNRDNVNEWSANN-HUUCEWRRSA-N	1	0	365.499	1.503	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2c(=O)[nH]ccc2OC)C[C@H]1C	ZINC001104913961	794371122	/nfs/dbraw/zinc/37/11/22/794371122.db2.gz	MWCVEAXZXCNQNT-HUUCEWRRSA-N	1	0	361.442	1.133	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CCC(=O)NCCC)C[C@H]1C	ZINC001104918769	794387000	/nfs/dbraw/zinc/38/70/00/794387000.db2.gz	KESWHQSMKNVSKS-IAGOWNOFSA-N	1	0	353.507	1.570	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cnn3ccc(C)nc23)C[C@H]1C	ZINC001104920853	794391556	/nfs/dbraw/zinc/39/15/56/794391556.db2.gz	YUWLEIJOXHGOBD-NVXWUHKLSA-N	1	0	371.485	1.928	20	30		FDEDRO
C#CCCCNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1	ZINC000173515955	794428097	/nfs/dbraw/zinc/42/80/97/794428097.db2.gz	KDIDFXUGBSQMCW-UHFFFAOYSA-N	1	0	370.497	1.933	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cc(CC)on2)C[C@H]1C	ZINC001104927878	794436723	/nfs/dbraw/zinc/43/67/23/794436723.db2.gz	YVZRPUZLFKYNEK-QLFBSQMISA-N	1	0	360.458	1.063	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cc(Cl)no2)C[C@H]1C	ZINC001104936207	794469405	/nfs/dbraw/zinc/46/94/05/794469405.db2.gz	JFCMBOAGUPYEQY-FRRDWIJNSA-N	1	0	366.849	1.154	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cc(Cl)no2)C[C@H]1C	ZINC001104936208	794469771	/nfs/dbraw/zinc/46/97/71/794469771.db2.gz	JFCMBOAGUPYEQY-JHJVBQTASA-N	1	0	366.849	1.154	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)Cc3cccc4nsnc43)[C@H]2C1	ZINC001083294553	794534289	/nfs/dbraw/zinc/53/42/89/794534289.db2.gz	HKLAGDRYFRKCGD-JKSUJKDBSA-N	1	0	358.467	1.722	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1	ZINC000974172238	794617345	/nfs/dbraw/zinc/61/73/45/794617345.db2.gz	PPGCMXQQGSNICN-RZFLPCETSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1	ZINC000974182161	794649708	/nfs/dbraw/zinc/64/97/08/794649708.db2.gz	VOEIGWZADRTYNB-ADHGMGHFSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000974187438	794671592	/nfs/dbraw/zinc/67/15/92/794671592.db2.gz	PCAWZGQYVFYRLO-VYCZESIESA-N	1	0	371.481	1.969	20	30		FDEDRO
Cc1ccc(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)cc1C	ZINC001104984675	794734695	/nfs/dbraw/zinc/73/46/95/794734695.db2.gz	CWSDOEJLXZYHOH-IEBWSBKVSA-N	1	0	370.497	1.560	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CN(C)c3ccc(C#N)cn3)C2)CC[N@@H+]1C	ZINC001058708829	794782414	/nfs/dbraw/zinc/78/24/14/794782414.db2.gz	XUBBXNFBEFPPLC-BPQIPLTHSA-N	1	0	355.486	1.968	20	30		FDEDRO
Cc1cc(NC(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)c(C#N)cc1N(C)C	ZINC000417136565	795009664	/nfs/dbraw/zinc/00/96/64/795009664.db2.gz	KPRLEXNGLWKUOR-OAHLLOKOSA-N	1	0	359.474	1.853	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C)nc2C)C[C@H]1C	ZINC001105053570	795072729	/nfs/dbraw/zinc/07/27/29/795072729.db2.gz	SXGNELCJXKHUHY-RHSMWYFYSA-N	1	0	356.470	1.136	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)N2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)cc1	ZINC000364093413	795158684	/nfs/dbraw/zinc/15/86/84/795158684.db2.gz	WDCGOYWKVAMSGR-ROUUACIJSA-N	1	0	372.469	1.720	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1	ZINC000162399402	795165376	/nfs/dbraw/zinc/16/53/76/795165376.db2.gz	HEFOHBQVCJJETD-UHFFFAOYSA-N	1	0	374.416	1.753	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)OCCC(C)C)C[C@H]1C	ZINC001105090936	795238160	/nfs/dbraw/zinc/23/81/60/795238160.db2.gz	NIKKLIHDEOXCLQ-FGTMMUONSA-N	1	0	367.534	1.814	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC(C)C)C1	ZINC001105091025	795238756	/nfs/dbraw/zinc/23/87/56/795238756.db2.gz	QGRUEGMENNIFJV-BRWVUGGUSA-N	1	0	353.507	1.424	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cc3n(n2)CCC3)C1	ZINC001105091145	795239804	/nfs/dbraw/zinc/23/98/04/795239804.db2.gz	SAKAIWMZIPOZPE-BRWVUGGUSA-N	1	0	360.502	1.995	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)c1	ZINC000663312235	806405768	/nfs/dbraw/zinc/40/57/68/806405768.db2.gz	WBRFRFKUTNDJDO-LBPRGKRZSA-N	1	0	365.377	1.113	20	30		FDEDRO
C[C@@H]([NH3+])C1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000418014079	795462284	/nfs/dbraw/zinc/46/22/84/795462284.db2.gz	UDHASAZJMKNFOG-RDTXWAMCSA-N	1	0	369.469	1.822	20	30		FDEDRO
C[NH2+]C[C@@H]1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000418014970	795462815	/nfs/dbraw/zinc/46/28/15/795462815.db2.gz	VKJVIZBXRWINDR-WMZOPIPTSA-N	1	0	369.469	1.695	20	30		FDEDRO
CCC([NH3+])(CC)CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000418082088	795519073	/nfs/dbraw/zinc/51/90/73/795519073.db2.gz	WMHQMTQCOQSDPA-INIZCTEOSA-N	1	0	357.458	1.476	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@H]3OCC[C@H]3CC)C2)nn1	ZINC001105264754	795625910	/nfs/dbraw/zinc/62/59/10/795625910.db2.gz	OXCFQQXXCREZQT-DAYGRLMNSA-N	1	0	361.490	1.921	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21	ZINC000974468952	796009674	/nfs/dbraw/zinc/00/96/74/796009674.db2.gz	OZSHBJLXQNJNKM-HYVNUMGLSA-N	1	0	355.442	1.044	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000364467943	796090941	/nfs/dbraw/zinc/09/09/41/796090941.db2.gz	WOPRQTNQAKWREH-SJORKVTESA-N	1	0	359.474	1.326	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)nn1	ZINC001105331467	796196519	/nfs/dbraw/zinc/19/65/19/796196519.db2.gz	APWRSRZRDLJASN-LIRZEXBASA-N	1	0	359.474	1.673	20	30		FDEDRO
C#Cc1ccc(C(=O)NCc2ccc(OCC[NH+](C)C)c(OC)c2)cn1	ZINC000728864568	806622027	/nfs/dbraw/zinc/62/20/27/806622027.db2.gz	MAMUUQHHZKRIIL-UHFFFAOYSA-N	1	0	353.422	1.942	20	30		FDEDRO
C=CC[C@]1(C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)CCC[NH2+]1	ZINC000662466747	806695443	/nfs/dbraw/zinc/69/54/43/806695443.db2.gz	YBDBAHIETQZNQI-QGZVFWFLSA-N	1	0	351.472	1.088	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCC(C(=O)NCCCOC(C)C)CC2)CCC[NH2+]1	ZINC000662484292	806736071	/nfs/dbraw/zinc/73/60/71/806736071.db2.gz	UOLAJXBOLJDAQJ-HXUWFJFHSA-N	1	0	365.518	1.855	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C4(C)CCCC4)[C@@H]3C2)CC1	ZINC000974617961	799921939	/nfs/dbraw/zinc/92/19/39/799921939.db2.gz	HXOKTRWKGIKEBR-RTBURBONSA-N	1	0	371.525	1.971	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(C#N)cc3)C2)C1	ZINC001026852784	800006096	/nfs/dbraw/zinc/00/60/96/800006096.db2.gz	ZOPMVYRWYSLEHA-FHLIZLRMSA-N	1	0	354.454	1.411	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@H]32)nc1	ZINC000974677626	800055533	/nfs/dbraw/zinc/05/55/33/800055533.db2.gz	CHVRZCZMZKEPLZ-KLICCBINSA-N	1	0	366.465	1.076	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@H]32)cc1	ZINC000974706067	800160865	/nfs/dbraw/zinc/16/08/65/800160865.db2.gz	NKPGNWDINGDCFH-GUDVDZBRSA-N	1	0	351.450	1.293	20	30		FDEDRO
C=CC[C@]1(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)CCC[NH2+]1	ZINC000662512805	806812830	/nfs/dbraw/zinc/81/28/30/806812830.db2.gz	VKZUMAVKKZVCJK-QGZVFWFLSA-N	1	0	351.472	1.251	20	30		FDEDRO
C=C(C)Cn1c(-c2ccc(=O)n(C)c2)nnc1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1	ZINC000909344938	800546498	/nfs/dbraw/zinc/54/64/98/800546498.db2.gz	RBNHJEZWQDYREW-WBVHZDCISA-N	1	0	368.485	1.750	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C4(C)CC(=C)C4)[C@@H]3C2)CC1	ZINC000975055078	800794590	/nfs/dbraw/zinc/79/45/90/800794590.db2.gz	KBNYWWMKIOPDCX-RTBURBONSA-N	1	0	369.509	1.747	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3CCN(C(=O)[C@@]45CC[N@H+](C4)CCC5)C[C@H]32)C1	ZINC000975057841	800800902	/nfs/dbraw/zinc/80/09/02/800800902.db2.gz	LDKNNIYNZCTGSE-LZJOCLMNSA-N	1	0	357.498	1.888	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccnc(OC)n2)CC1(C)C	ZINC000975065586	800814562	/nfs/dbraw/zinc/81/45/62/800814562.db2.gz	PTULXVHQPOUSEW-OWCLPIDISA-N	1	0	360.458	1.403	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]32)c1	ZINC000975070027	800822433	/nfs/dbraw/zinc/82/24/33/800822433.db2.gz	NDJUOPPVZWVZRF-BHIYHBOVSA-N	1	0	368.481	1.322	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3CCN(C(=O)C[C@H]4CC[N@@H+](C)C4)C[C@H]32)c1	ZINC000975074363	800866490	/nfs/dbraw/zinc/86/64/90/800866490.db2.gz	SLAAYLBWQLUONC-ZHALLVOQSA-N	1	0	366.465	1.078	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc3nonc3c2)C1	ZINC001027075838	800890599	/nfs/dbraw/zinc/89/05/99/800890599.db2.gz	CFFDGUXLBKAKPD-DAYGRLMNSA-N	1	0	356.426	1.752	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCc3ccc(S(=O)(=O)N(C)C)cc32)CCC[NH2+]1	ZINC000662602121	806871065	/nfs/dbraw/zinc/87/10/65/806871065.db2.gz	PIUVYJJLPOMPOK-GOSISDBHSA-N	1	0	363.483	1.524	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2csnn2)C1	ZINC001027114409	800990668	/nfs/dbraw/zinc/99/06/68/800990668.db2.gz	YGMRDMZPNBGOTI-BPUTZDHNSA-N	1	0	350.488	1.848	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnc(C3CC3)o2)C1	ZINC001027116725	801011702	/nfs/dbraw/zinc/01/17/02/801011702.db2.gz	HUJQOLJOZZDQJF-KMFMINBZSA-N	1	0	360.458	1.866	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1cnn(C)n1)C2	ZINC001112530825	806898852	/nfs/dbraw/zinc/89/88/52/806898852.db2.gz	PLROLITXDPFDGK-LPHOPBHVSA-N	1	0	361.490	1.169	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC000975559203	801505698	/nfs/dbraw/zinc/50/56/98/801505698.db2.gz	ODEUFLDONVRCFC-ZACQAIPSSA-N	1	0	361.486	1.028	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)c1	ZINC000975639566	801812694	/nfs/dbraw/zinc/81/26/94/801812694.db2.gz	BXOGMZRLMTXDSA-RDJZCZTQSA-N	1	0	367.453	1.045	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]21	ZINC000975666639	801888245	/nfs/dbraw/zinc/88/82/45/801888245.db2.gz	ZMWKMBOUVNEEMO-MPGHIAIKSA-N	1	0	369.469	1.434	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)[C@H]4CC45CC5)[C@H]3C2)CC1	ZINC000975753911	802206083	/nfs/dbraw/zinc/20/60/83/802206083.db2.gz	AWYDCKWTGUTIDT-UHOSZYNNSA-N	1	0	369.509	1.581	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)c4cnco4)[C@H]3C2)CC1	ZINC000975754081	802206890	/nfs/dbraw/zinc/20/68/90/802206890.db2.gz	DHQPRRYONQJFJJ-RDJZCZTQSA-N	1	0	370.453	1.083	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)[C@@H]4C[C@H]4C)[C@H]3C2)CC1	ZINC000975754201	802207795	/nfs/dbraw/zinc/20/77/95/802207795.db2.gz	FFDXXATXQKFUDN-JFRXWTBNSA-N	1	0	357.498	1.437	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CCC[NH2+]1	ZINC000662700493	806971693	/nfs/dbraw/zinc/97/16/93/806971693.db2.gz	QQKFCGJZUJEQMH-FQEVSTJZSA-N	1	0	356.470	1.150	20	30		FDEDRO
C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCCCN(C(C)C)S(C)(=O)=O	ZINC000661115996	802730595	/nfs/dbraw/zinc/73/05/95/802730595.db2.gz	GMQCDXLIBDUPOL-IRXDYDNUSA-N	1	0	373.563	1.887	20	30		FDEDRO
C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)c1c(N)n(CCOC)c(=O)[nH]c1=O	ZINC000661117561	802755129	/nfs/dbraw/zinc/75/51/29/802755129.db2.gz	SATFQIVNNFPDRG-QWHCGFSZSA-N	1	0	364.446	1.085	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@H]2C1	ZINC000975965085	802777201	/nfs/dbraw/zinc/77/72/01/802777201.db2.gz	RNLGIJUOROGSJC-IEZWGBDMSA-N	1	0	368.481	1.971	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3CCN(C(=O)[C@@H]4CCC[N@H+]4C)[C@H]3C2)c1	ZINC000975995837	802821920	/nfs/dbraw/zinc/82/19/20/802821920.db2.gz	LOXBKVKGEDNVRU-WDSOQIARSA-N	1	0	366.465	1.220	20	30		FDEDRO
C=CC[C@@]1(C(=O)N[C@H](C)CN2CCN(c3ccccn3)CC2)CCC[NH2+]1	ZINC000662734671	802968316	/nfs/dbraw/zinc/96/83/16/802968316.db2.gz	RZWCXAWOLXNTRN-XLIONFOSSA-N	1	0	357.502	1.407	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCn3c(Cc4ccccc4)nnc3C2)CCC[NH2+]1	ZINC000662742010	802998153	/nfs/dbraw/zinc/99/81/53/802998153.db2.gz	KXHOARCCSDMWFJ-HXUWFJFHSA-N	1	0	351.454	1.909	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)CCC[NH2+]1	ZINC000662802160	803319015	/nfs/dbraw/zinc/31/90/15/803319015.db2.gz	ZFSVTVLIBIEXTH-AEFFLSMTSA-N	1	0	369.531	1.538	20	30		FDEDRO
C=CC[C@@]1(C(=O)N[C@@H](C)CCNS(=O)(=O)c2ccccc2)CCC[NH2+]1	ZINC000662813374	803431400	/nfs/dbraw/zinc/43/14/00/803431400.db2.gz	ZSOJLLAUJKEUDZ-YJBOKZPZSA-N	1	0	365.499	1.558	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1	ZINC000423084815	814957971	/nfs/dbraw/zinc/95/79/71/814957971.db2.gz	IQFGBYMACSPWMO-ZWKOTPCHSA-N	1	0	354.454	1.365	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1	ZINC000423084712	814958368	/nfs/dbraw/zinc/95/83/68/814958368.db2.gz	IQFGBYMACSPWMO-MSOLQXFVSA-N	1	0	354.454	1.365	20	30		FDEDRO
C=CCN(Cc1ccccc1F)C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1	ZINC000423180701	814990900	/nfs/dbraw/zinc/99/09/00/814990900.db2.gz	IMJWIYWFXQWHOA-UHFFFAOYSA-N	1	0	359.445	1.942	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CCC(C[NH2+]C)CC1	ZINC000423210023	814993219	/nfs/dbraw/zinc/99/32/19/814993219.db2.gz	GWNXDFOQVQIWGD-UHFFFAOYSA-N	1	0	374.441	1.567	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1	ZINC000423209976	814993327	/nfs/dbraw/zinc/99/33/27/814993327.db2.gz	GMYUQLUHVKJYMC-UKRRQHHQSA-N	1	0	360.414	1.305	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(C#N)s2)C1	ZINC001027448612	804126577	/nfs/dbraw/zinc/12/65/77/804126577.db2.gz	WOFKWDJWOGFPED-ZQIUZPCESA-N	1	0	363.483	1.846	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2)C1	ZINC001027450395	804157620	/nfs/dbraw/zinc/15/76/20/804157620.db2.gz	NJUBLOZUOHZXBB-IPELMVKDSA-N	1	0	357.454	1.785	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1	ZINC000423193599	814996805	/nfs/dbraw/zinc/99/68/05/814996805.db2.gz	XLZMYCXVNDVGNP-MAUKXSAKSA-N	1	0	354.454	1.659	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1	ZINC000423219046	815007438	/nfs/dbraw/zinc/00/74/38/815007438.db2.gz	VQUWKVMOFYFOMF-JKSUJKDBSA-N	1	0	372.425	1.177	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21	ZINC000977217199	804602628	/nfs/dbraw/zinc/60/26/28/804602628.db2.gz	LVJAVCCEWFGNOZ-NRKLIOEPSA-N	1	0	361.486	1.025	20	30		FDEDRO
C=CCN(CC1CCCCC1)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1	ZINC000423312920	815033839	/nfs/dbraw/zinc/03/38/39/815033839.db2.gz	SXDHNXMBLQQDHP-SFHVURJKSA-N	1	0	362.518	1.087	20	30		FDEDRO
Cc1cc(C#N)nc(NC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C)n1	ZINC001126129735	804773779	/nfs/dbraw/zinc/77/37/79/804773779.db2.gz	ILVMZGVIUGZQRG-FVQBIDKESA-N	1	0	358.490	1.940	20	30		FDEDRO
COC[C@H](OC)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccccc2C#N)C1	ZINC001112526568	804807181	/nfs/dbraw/zinc/80/71/81/804807181.db2.gz	NLQQGLYPMKIPOM-ZJOUEHCJSA-N	1	0	371.481	1.938	20	30		FDEDRO
C=CC[N@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(C)(C)C	ZINC000661756071	804816252	/nfs/dbraw/zinc/81/62/52/804816252.db2.gz	BZLLROLXPGZPDN-UHFFFAOYSA-N	1	0	353.488	1.279	20	30		FDEDRO
C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1	ZINC001027573920	805061950	/nfs/dbraw/zinc/06/19/50/805061950.db2.gz	KNMKBFXBOACAMG-KURKYZTESA-N	1	0	363.502	1.655	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1ccn2c[nH+]cc2c1	ZINC000978075586	805170772	/nfs/dbraw/zinc/17/07/72/805170772.db2.gz	VVHWSYDGFHXDCW-JQHSSLGASA-N	1	0	368.437	1.598	20	30		FDEDRO
C=C(Br)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)[C@@H]2C1	ZINC000978292858	805343462	/nfs/dbraw/zinc/34/34/62/805343462.db2.gz	NLQNANWLVRUUJJ-KSTCHIGDSA-N	1	0	365.275	1.716	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])c1	ZINC000652378305	805373557	/nfs/dbraw/zinc/37/35/57/805373557.db2.gz	FHCYZQHLTGKERL-RHSMWYFYSA-N	1	0	365.499	1.740	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](N(C)CC(=O)N2CCCC2)C1	ZINC001027613262	805377928	/nfs/dbraw/zinc/37/79/28/805377928.db2.gz	VEOXXGSXDAXASB-AOIWGVFYSA-N	1	0	363.502	1.513	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3ccncc3)C2)CC1	ZINC000980795541	807191173	/nfs/dbraw/zinc/19/11/73/807191173.db2.gz	OPBZXPIZTBMMKO-QFBILLFUSA-N	1	0	368.481	1.442	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2ncn(C)c2=O)C1	ZINC001087431145	807194584	/nfs/dbraw/zinc/19/45/84/807194584.db2.gz	BSWQONNUIJCSJF-QZTJIDSGSA-N	1	0	369.469	1.132	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)C1	ZINC000423517191	815109326	/nfs/dbraw/zinc/10/93/26/815109326.db2.gz	BFRKSJPSAIIYBB-AITUJVMLSA-N	1	0	368.481	1.871	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C[NH2+]C2(C(=O)NCC3CC3)CCCC2)cc1	ZINC001167828845	807369765	/nfs/dbraw/zinc/36/97/65/807369765.db2.gz	CDWOBFNDOMQLCL-UHFFFAOYSA-N	1	0	354.454	1.603	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)cn1	ZINC000981050527	807488502	/nfs/dbraw/zinc/48/85/02/807488502.db2.gz	CZVFHWNDIJAPBB-BMGDILEWSA-N	1	0	354.454	1.172	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)C2CC2)cc1	ZINC000423556617	815133330	/nfs/dbraw/zinc/13/33/30/815133330.db2.gz	BRUJTTYBJCRXKT-FUHWJXTLSA-N	1	0	352.438	1.260	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2c[nH]c(=O)n2C)C1	ZINC001087433876	807766299	/nfs/dbraw/zinc/76/62/99/807766299.db2.gz	KIWXBXOXQWDEII-IAGOWNOFSA-N	1	0	352.438	1.737	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1	ZINC000981540868	808127910	/nfs/dbraw/zinc/12/79/10/808127910.db2.gz	NMOHUGHQYICOGC-LESCRADOSA-N	1	0	371.485	1.775	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1	ZINC000981541528	808129518	/nfs/dbraw/zinc/12/95/18/808129518.db2.gz	XUCOTKAGAOFRJK-HDMKZQKVSA-N	1	0	371.485	1.775	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1	ZINC000981582739	808183123	/nfs/dbraw/zinc/18/31/23/808183123.db2.gz	HEXZGOAROGDAFZ-BBWFWOEESA-N	1	0	358.486	1.783	20	30		FDEDRO
C[C@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)N1CC[NH+](C)CC1	ZINC000279087389	808317158	/nfs/dbraw/zinc/31/71/58/808317158.db2.gz	RQIRFNBSPCXSRH-CQSZACIVSA-N	1	0	353.426	1.579	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1	ZINC001087435035	808715294	/nfs/dbraw/zinc/71/52/94/808715294.db2.gz	TWKCGKIHEHFFBU-QRVBRYPASA-N	1	0	353.466	1.605	20	30		FDEDRO
CC#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@]2(C)CCC(=O)NC2)C1	ZINC001087435407	808782318	/nfs/dbraw/zinc/78/23/18/808782318.db2.gz	NVOMQPBNBRWTBD-KNKQGSTJSA-N	1	0	367.493	1.900	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)c1	ZINC000279311010	808865813	/nfs/dbraw/zinc/86/58/13/808865813.db2.gz	NIUKQOOCQYSMOL-HNNXBMFYSA-N	1	0	355.438	1.318	20	30		FDEDRO
CNC(=O)[C@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1	ZINC000279351516	808942787	/nfs/dbraw/zinc/94/27/87/808942787.db2.gz	GANAKUNFMSKUKR-INIZCTEOSA-N	1	0	352.442	1.817	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCc1cnn(C)c1	ZINC001028190394	808943539	/nfs/dbraw/zinc/94/35/39/808943539.db2.gz	SURZKZRTIWJAII-QYZOEREBSA-N	1	0	360.502	1.915	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CCCC3(CN(C(=O)[C@H]4OCC[C@H]4C)C3)C2)C1=O	ZINC000982019618	809040058	/nfs/dbraw/zinc/04/00/58/809040058.db2.gz	DAFFZLJBTPWMEC-IKGGRYGDSA-N	1	0	361.486	1.123	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](Cc1nccnc1C)C2	ZINC000982023405	809042976	/nfs/dbraw/zinc/04/29/76/809042976.db2.gz	DPUWOZQRXYHNMX-AEFFLSMTSA-N	1	0	356.470	1.801	20	30		FDEDRO
C[C@@H](NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)[C@H](C)[NH3+]	ZINC000418694555	809138635	/nfs/dbraw/zinc/13/86/35/809138635.db2.gz	IBLGKULQQVKMHC-QWHCGFSZSA-N	1	0	355.446	1.294	20	30		FDEDRO
C[NH2+][C@H]1CCN(C(=O)C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1	ZINC000419026237	809420519	/nfs/dbraw/zinc/42/05/19/809420519.db2.gz	BHKIWDKJSNLIBA-CGZBRXJRSA-N	1	0	370.453	1.185	20	30		FDEDRO
N#Cc1ccccc1OC1CCC(NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1	ZINC000419028033	809423979	/nfs/dbraw/zinc/42/39/79/809423979.db2.gz	DHAJSBWGTWGTGW-JCYILVPMSA-N	1	0	370.453	1.218	20	30		FDEDRO
C=CC[C@H](CC)NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1	ZINC000419136264	809602755	/nfs/dbraw/zinc/60/27/55/809602755.db2.gz	NDWLCMSSTAKOLT-VBQJREDUSA-N	1	0	365.424	1.997	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000419199223	809659944	/nfs/dbraw/zinc/65/99/44/809659944.db2.gz	DHOKEEXDCJFQHX-KUHUBIRLSA-N	1	0	362.433	1.881	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)N2CCCCC2=O)C[C@H]1c1ccccc1	ZINC001211730298	809674786	/nfs/dbraw/zinc/67/47/86/809674786.db2.gz	URGXVFXSLCBMIN-YSIASYRMSA-N	1	0	367.493	1.995	20	30		FDEDRO
C[C@@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1	ZINC001075697785	815319068	/nfs/dbraw/zinc/31/90/68/815319068.db2.gz	IZEYHNRYKDSGGO-RLFYNMQTSA-N	1	0	369.469	1.434	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2cnnn2C)C1	ZINC001211736047	809925066	/nfs/dbraw/zinc/92/50/66/809925066.db2.gz	FMYZVXOGGGEPLT-ZYSHUDEJSA-N	1	0	369.469	1.490	20	30		FDEDRO
C=CCn1c(CC(C)C)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000508809968	809994824	/nfs/dbraw/zinc/99/48/24/809994824.db2.gz	BAXPYYPKKDYOEB-UHFFFAOYSA-N	1	0	360.506	1.407	20	30		FDEDRO
C[NH+]=C(NCc1nnc(C)n1C)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1	ZINC000261706970	810075198	/nfs/dbraw/zinc/07/51/98/810075198.db2.gz	GVKBCAFRIPNLOT-LRDDRELGSA-N	1	0	360.437	1.800	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@H]1C(F)(F)F	ZINC001112122239	810098362	/nfs/dbraw/zinc/09/83/62/810098362.db2.gz	CFDVFNPCAKWZKK-YNEHKIRRSA-N	1	0	370.437	1.755	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C	ZINC000249167117	810229268	/nfs/dbraw/zinc/22/92/68/810229268.db2.gz	KJVSRVNYJLQDCQ-SQWLQELKSA-N	1	0	358.442	1.715	20	30		FDEDRO
C[NH+]=C(NCC(C)(C)CC(C)C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1	ZINC000261719609	810301851	/nfs/dbraw/zinc/30/18/51/810301851.db2.gz	IGIQZFZISBNPCX-LJQANCHMSA-N	1	0	365.522	1.944	20	30		FDEDRO
Cc1cc(C(=O)NCCN2CC[NH+](C)CC2)nn1-c1cccc(C#N)c1	ZINC000508814903	810478521	/nfs/dbraw/zinc/47/85/21/810478521.db2.gz	YPCLCVBHHLCLJD-UHFFFAOYSA-N	1	0	352.442	1.030	20	30		FDEDRO
CN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@H]1CCC[N@H+](C)C1	ZINC000894184053	810855465	/nfs/dbraw/zinc/85/54/65/810855465.db2.gz	DKEWZEXURPQVIS-QLFBSQMISA-N	1	0	365.478	1.481	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4oc(C)cc4C)[C@@H]3C2)C1=O	ZINC001075660950	810922730	/nfs/dbraw/zinc/92/27/30/810922730.db2.gz	QUBQAUOIIJWNHD-YESZJQIVSA-N	1	0	357.454	1.830	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1C[C@H]2CN(CCCS(C)(=O)=O)C[C@@]2(C)C1	ZINC001101232192	811203464	/nfs/dbraw/zinc/20/34/64/811203464.db2.gz	LMFQSYJQBJRWCZ-QAPCUYQASA-N	1	0	354.516	1.251	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCC(F)(F)C3)C[C@@H]2O)c1	ZINC001083392562	811207151	/nfs/dbraw/zinc/20/71/51/811207151.db2.gz	OMGKRSPUQOXDNJ-DFBGVHRSSA-N	1	0	352.385	1.487	20	30		FDEDRO
Cc1cccc(CCC[N@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)c1	ZINC001083392417	811207826	/nfs/dbraw/zinc/20/78/26/811207826.db2.gz	GZLJOKMZEXTMMT-MOPGFXCFSA-N	1	0	352.438	1.603	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC#Cc2cccc(F)c2)CC1=O	ZINC000513212937	811288942	/nfs/dbraw/zinc/28/89/42/811288942.db2.gz	BDBZCTXRCCUPIL-MJGOQNOKSA-N	1	0	371.456	1.626	20	30		FDEDRO
C[NH+]=C(NC[C@@H](OC)c1ccccc1)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261753678	811311260	/nfs/dbraw/zinc/31/12/60/811311260.db2.gz	NPSIEKCFLKUGPW-QGZVFWFLSA-N	1	0	370.457	1.032	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N1CC[C@@H](C)[C@@H](n2ccnc2)C1	ZINC000261959674	811354421	/nfs/dbraw/zinc/35/44/21/811354421.db2.gz	JTDUNXHQHJCGCF-PVAVHDDUSA-N	1	0	370.505	1.504	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cc1	ZINC000982827092	811402798	/nfs/dbraw/zinc/40/27/98/811402798.db2.gz	JYJIWJZLNLJRLW-YSIASYRMSA-N	1	0	367.493	1.977	20	30		FDEDRO
CN(C)C(=O)C[NH+]=C(NCc1ccco1)N[C@H]1CCOc2ccccc21	ZINC000262314152	811439457	/nfs/dbraw/zinc/43/94/57/811439457.db2.gz	QHDQJDNZJCEWIX-INIZCTEOSA-N	1	0	356.426	1.927	20	30		FDEDRO
Cn1cc(C[NH2+]C2CCN(CC#N)CC2)c(I)n1	ZINC000894233799	811639016	/nfs/dbraw/zinc/63/90/16/811639016.db2.gz	ODFQLSBORYDRIT-UHFFFAOYSA-N	1	0	359.215	1.102	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1	ZINC000982865616	811746493	/nfs/dbraw/zinc/74/64/93/811746493.db2.gz	HTWLKTXFLLCXPX-KSZLIROESA-N	1	0	363.502	1.418	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1	ZINC000280723745	811914506	/nfs/dbraw/zinc/91/45/06/811914506.db2.gz	IDDKYEZYKDIDIM-GJZGRUSLSA-N	1	0	358.442	1.372	20	30		FDEDRO
N#CCC[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccccc1	ZINC000419467650	811977736	/nfs/dbraw/zinc/97/77/36/811977736.db2.gz	ABRGELVFLWPVJY-MLHJIOFPSA-N	1	0	354.454	1.733	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)C(=O)N(CCC#N)c1ccc(F)cc1	ZINC000501143825	812039347	/nfs/dbraw/zinc/03/93/47/812039347.db2.gz	POEMDRVBWMUPEW-HNAYVOBHSA-N	1	0	374.460	1.914	20	30		FDEDRO
N#Cc1ccccc1-c1ccc(CNC(=O)C(=O)NCC2([NH3+])CCC2)cc1	ZINC000419651193	812075114	/nfs/dbraw/zinc/07/51/14/812075114.db2.gz	UNZSBNFTWNDLQI-UHFFFAOYSA-N	1	0	362.433	1.839	20	30		FDEDRO
N#CCCCCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1	ZINC000419650572	812075161	/nfs/dbraw/zinc/07/51/61/812075161.db2.gz	NOFVYZXILIOMRR-CZUORRHYSA-N	1	0	364.396	1.337	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)NC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1	ZINC000419857750	812261426	/nfs/dbraw/zinc/26/14/26/812261426.db2.gz	KLWPTTJBXJBOFG-DFNIBXOVSA-N	1	0	364.449	1.573	20	30		FDEDRO
C=CCC[C@H](NC(=O)C(=O)NCCCN1CC[NH2+]CC1)c1ccccc1	ZINC000419874963	812270201	/nfs/dbraw/zinc/27/02/01/812270201.db2.gz	UQPWCNYQWOLQRZ-SFHVURJKSA-N	1	0	358.486	1.222	20	30		FDEDRO
CC[N@H+](CCNC(=O)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O)C(C)C	ZINC000514003791	815569214	/nfs/dbraw/zinc/56/92/14/815569214.db2.gz	VEZHFXGTGYHKFA-QRWLVFNGSA-N	1	0	369.469	1.772	20	30		FDEDRO
C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000420102156	813457695	/nfs/dbraw/zinc/45/76/95/813457695.db2.gz	NJTSGGGSHAKVPR-KDOFPFPSSA-N	1	0	370.453	1.042	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCNC(=O)C4)[C@@H]3C2)c1	ZINC001075683531	813652158	/nfs/dbraw/zinc/65/21/58/813652158.db2.gz	BKFWRGRRJPWUAS-FGTMMUONSA-N	1	0	352.438	1.117	20	30		FDEDRO
C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C)C(=O)N1CCCCC1	ZINC001104174272	813717162	/nfs/dbraw/zinc/71/71/62/813717162.db2.gz	LLGCXBYMWMIWBB-ZHALLVOQSA-N	1	0	359.514	1.875	20	30		FDEDRO
C=CCCC[C@@H]1NC(=O)N(CC2(N3CCOCC3)CC[NH+](C)CC2)C1=O	ZINC000924929610	813936169	/nfs/dbraw/zinc/93/61/69/813936169.db2.gz	ILSKRLFJHANNDC-INIZCTEOSA-N	1	0	364.490	1.060	20	30		FDEDRO
N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@@H]3OCC(=O)N[C@@H]3C1)CCC2	ZINC000366799886	813976080	/nfs/dbraw/zinc/97/60/80/813976080.db2.gz	IJMWUULCCNQPBO-KGLIPLIRSA-N	1	0	374.466	1.026	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2C[C@H]2c2ccccc2F)C1=O	ZINC001167945018	813995220	/nfs/dbraw/zinc/99/52/20/813995220.db2.gz	SAFQJZBFLFWXRW-LZLYRXPVSA-N	1	0	359.445	1.812	20	30		FDEDRO
CC[C@@H]1C[N@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C[C@@H]1O	ZINC000271985085	814534944	/nfs/dbraw/zinc/53/49/44/814534944.db2.gz	FEQXVWBFSQEXRH-MNEFBYGVSA-N	1	0	374.460	1.237	20	30		FDEDRO
Cc1cc(NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)nn1CCC#N	ZINC000272145261	814581848	/nfs/dbraw/zinc/58/18/48/814581848.db2.gz	XAIJDUCVRFBHSP-MRXNPFEDSA-N	1	0	361.494	1.499	20	30		FDEDRO
N#C[C@H](C(=O)CN1CCC(CCCO)CC1)c1nc2ccccc2c(=O)[nH]1	ZINC000272922709	814783769	/nfs/dbraw/zinc/78/37/69/814783769.db2.gz	IZLFLZCOKONHFA-MRXNPFEDSA-N	1	0	368.437	1.996	20	30		FDEDRO
C[C@H](CCNC(=O)C(=O)Nc1cccc(OCC#N)c1)[NH+]1CCCCC1	ZINC000273138111	814788618	/nfs/dbraw/zinc/78/86/18/814788618.db2.gz	RUSQSTTYBBIPOG-OAHLLOKOSA-N	1	0	358.442	1.908	20	30		FDEDRO
Cc1ccc(-n2nc(CCCNC(=[NH2+])N(C)C3CC3)c(C#N)c2N)cc1	ZINC000273331085	814792833	/nfs/dbraw/zinc/79/28/33/814792833.db2.gz	JNKKROASWYCYLS-UHFFFAOYSA-N	1	0	351.458	1.976	20	30		FDEDRO
CC(C)(CC#N)CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000422487113	814824759	/nfs/dbraw/zinc/82/47/59/814824759.db2.gz	JJISMXVFZZDKLL-HDICACEKSA-N	1	0	368.481	1.633	20	30		FDEDRO
C=C(Cl)CN1CC[C@@H](CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1	ZINC001028709302	814832792	/nfs/dbraw/zinc/83/27/92/814832792.db2.gz	JAZIUFGYTPXPBY-BBWFWOEESA-N	1	0	371.909	1.057	20	30		FDEDRO
N#Cc1cccc(OCCC[NH+]2CCC([C@H](O)C(=O)NC3CC3)CC2)c1	ZINC000434726625	815722415	/nfs/dbraw/zinc/72/24/15/815722415.db2.gz	MMGNMUWNPISTLP-IBGZPJMESA-N	1	0	357.454	1.679	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCN(C5CCC5)C4=O)C[C@H]32)c[nH]1	ZINC001075709466	815766109	/nfs/dbraw/zinc/76/61/09/815766109.db2.gz	IZYDSAPGHGPUFZ-DOPJRALCSA-N	1	0	367.453	1.186	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1	ZINC001087465715	815775869	/nfs/dbraw/zinc/77/58/69/815775869.db2.gz	FMDOCDIMPPGMPS-QXAKKESOSA-N	1	0	371.456	1.649	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](O)Cc4ccccc4)C[C@H]32)c[nH]1	ZINC001075709871	815775944	/nfs/dbraw/zinc/77/59/44/815775944.db2.gz	RTXCAALIKFSDLL-FFZOFVMBSA-N	1	0	364.449	1.636	20	30		FDEDRO
CC#CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1	ZINC001087465717	815775990	/nfs/dbraw/zinc/77/59/90/815775990.db2.gz	FMGAPPKSTKLBDN-QXAKKESOSA-N	1	0	371.456	1.649	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2nnc(CC)s2)C1	ZINC001028810127	815795448	/nfs/dbraw/zinc/79/54/48/815795448.db2.gz	XPBAQIMKWKHHRQ-MJBXVCDLSA-N	1	0	350.488	1.630	20	30		FDEDRO
C=CC[C@H](CO)CNC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C	ZINC000434825481	815798215	/nfs/dbraw/zinc/79/82/15/815798215.db2.gz	BWYWTXKLLHEOMB-XJKSGUPXSA-N	1	0	361.442	1.311	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCn2cc(Cl)cn2)C1	ZINC001028813283	815813970	/nfs/dbraw/zinc/81/39/70/815813970.db2.gz	ZEVXILZFKHZHRO-IMJJTQAJSA-N	1	0	352.866	1.566	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@H]1CCn2ccnc2C1	ZINC000435107246	815913668	/nfs/dbraw/zinc/91/36/68/815913668.db2.gz	GDZMEBZFAIBGCC-ZDUSSCGKSA-N	1	0	354.414	1.381	20	30		FDEDRO
Cc1nn(C)c(N2CC[NH+](CCc3ccc4c(c3)CCO4)CC2)c1C#N	ZINC000514642422	815916199	/nfs/dbraw/zinc/91/61/99/815916199.db2.gz	ZOWBCBKDILUIGB-UHFFFAOYSA-N	1	0	351.454	1.900	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCn2nc(C)nc2C)C1	ZINC001028861510	816293786	/nfs/dbraw/zinc/29/37/86/816293786.db2.gz	UBTGGHQMNGHZEG-SQNIBIBYSA-N	1	0	361.490	1.314	20	30		FDEDRO
Cn1oc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)cc1=O	ZINC001075735516	816956252	/nfs/dbraw/zinc/95/62/52/816956252.db2.gz	VTWKTMFZWNYTOG-JKSUJKDBSA-N	1	0	352.394	1.196	20	30		FDEDRO
Cn1oc(C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)cc1=O	ZINC001075735542	816956694	/nfs/dbraw/zinc/95/66/94/816956694.db2.gz	WXFCNEWGCHGKGV-JKSUJKDBSA-N	1	0	352.394	1.196	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)Nc2cccc(CC#N)c2)(N2CCOCC2)CC1	ZINC000516747837	816984672	/nfs/dbraw/zinc/98/46/72/816984672.db2.gz	WFTNRIOKFYOVAH-UHFFFAOYSA-N	1	0	371.485	1.671	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C	ZINC000425864299	817255718	/nfs/dbraw/zinc/25/57/18/817255718.db2.gz	BGEKETKIAQGDGA-HKUYNNGSSA-N	1	0	373.497	1.850	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC	ZINC000425870470	817273262	/nfs/dbraw/zinc/27/32/62/817273262.db2.gz	WJGFGMNUWBLOPD-OTWHNJEPSA-N	1	0	373.497	1.893	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1	ZINC000425882842	817300450	/nfs/dbraw/zinc/30/04/50/817300450.db2.gz	MNHKUQDIOVNDQA-KANFNMMFSA-N	1	0	371.481	1.645	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1	ZINC000517511951	817474365	/nfs/dbraw/zinc/47/43/65/817474365.db2.gz	AJCVLWWHCDHTRY-ZDUSSCGKSA-N	1	0	356.426	1.448	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cnn(-c3ccc(OCC)nn3)c2C)CC1	ZINC000517982221	817662724	/nfs/dbraw/zinc/66/27/24/817662724.db2.gz	IZJRRPDDEAZJGK-UHFFFAOYSA-N	1	0	370.457	1.750	20	30		FDEDRO
[NH2+]=C(NCc1nnc2n1CCCC2)N1CCN(c2ccc(F)cc2)CC1	ZINC000261970715	817870055	/nfs/dbraw/zinc/87/00/55/817870055.db2.gz	CYYDEOPVXCYMEY-UHFFFAOYSA-N	1	0	357.437	1.390	20	30		FDEDRO
CCOC(=O)[C@]1(COC)CCC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1	ZINC000439474967	817973062	/nfs/dbraw/zinc/97/30/62/817973062.db2.gz	CUUABRLUBCKGRD-ATZDWAIDSA-N	1	0	367.490	1.721	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)CCS(=O)(=O)CC(C)C)C[C@]2(C)C1	ZINC001101281866	818124978	/nfs/dbraw/zinc/12/49/78/818124978.db2.gz	FDEXCHYRMBGDTK-AEFFLSMTSA-N	1	0	354.516	1.251	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cc1Cl	ZINC000894662668	818288534	/nfs/dbraw/zinc/28/85/34/818288534.db2.gz	YSMXIJCVVJASHY-SJORKVTESA-N	1	0	362.861	1.952	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)[C@@H](C)OC)CC1	ZINC000983650261	818367226	/nfs/dbraw/zinc/36/72/26/818367226.db2.gz	BSFLDDIVXDBYND-NUJGCVRESA-N	1	0	363.502	1.110	20	30		FDEDRO
COc1ccc([C@@H]2CCN(CC#N)C[C@@H]2NC(=O)C[C@@H]2CC[N@H+](C)C2)cc1	ZINC001087476652	818370034	/nfs/dbraw/zinc/37/00/34/818370034.db2.gz	ZPZNLEXCTQEYEP-VDGAXYAQSA-N	1	0	370.497	1.835	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1	ZINC000983670405	818507122	/nfs/dbraw/zinc/50/71/22/818507122.db2.gz	KVINZDHWFQCPPW-COXVUDFISA-N	1	0	357.458	1.337	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC000983698551	818605629	/nfs/dbraw/zinc/60/56/29/818605629.db2.gz	WFSYPPPPWNBXIA-TXCZRRACSA-N	1	0	371.485	1.583	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1	ZINC000519606402	818765650	/nfs/dbraw/zinc/76/56/50/818765650.db2.gz	QZUUVRNWEXONEB-SQNIBIBYSA-N	1	0	365.518	1.712	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]Cc1nnnn1CCC	ZINC001167986198	818801138	/nfs/dbraw/zinc/80/11/38/818801138.db2.gz	ZYKNLGYGEADPLW-HOCLYGCPSA-N	1	0	350.467	1.050	20	30		FDEDRO
N#CCC[C@H](C#N)CNCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1	ZINC000519697871	819007359	/nfs/dbraw/zinc/00/73/59/819007359.db2.gz	JKWAXYLXQBUMCB-GOSISDBHSA-N	1	0	353.470	1.917	20	30		FDEDRO
C[NH+](C)C[C@@]1(O)CCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C1	ZINC000895009994	819461410	/nfs/dbraw/zinc/46/14/10/819461410.db2.gz	JXBQIZGEWRHMBV-FQEVSTJZSA-N	1	0	353.470	1.987	20	30		FDEDRO
O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CCN(Cc2ccccc2)C1=O	ZINC000328669617	819526999	/nfs/dbraw/zinc/52/69/99/819526999.db2.gz	FUULFRGBSUEGFB-FUHWJXTLSA-N	1	0	356.470	1.775	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2OCCN(CC(=O)N[C@H](C)C(=O)N3CCCCC3)[C@H]2C1	ZINC000328747734	819543189	/nfs/dbraw/zinc/54/31/89/819543189.db2.gz	BAYRDDBCKGGJMX-IXDOHACOSA-N	1	0	366.506	1.139	20	30		FDEDRO
C[NH+]1CCC([C@H]2CCN(C(=O)NC3CCN(C(=O)C4CC4)CC3)C2)CC1	ZINC000328751586	819544508	/nfs/dbraw/zinc/54/45/08/819544508.db2.gz	CMEXXMYOGCBPCL-KRWDZBQOSA-N	1	0	362.518	1.965	20	30		FDEDRO
CCn1c2ccccc2n(CC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c1=O	ZINC000328727235	819548227	/nfs/dbraw/zinc/54/82/27/819548227.db2.gz	UYWATPOAUQTRTF-UHFFFAOYSA-N	1	0	373.501	1.805	20	30		FDEDRO
NC(=O)c1cnn2c1C[C@H](CNC(=O)N[C@@H]1CC[N@@H+]3CCCC[C@@H]13)CC2	ZINC000328918992	819592635	/nfs/dbraw/zinc/59/26/35/819592635.db2.gz	LIDHFAPFCHGTQW-YUELXQCFSA-N	1	0	360.462	1.459	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)NCC2([NH+](C)C)CCCC2)C1	ZINC000328967737	819601961	/nfs/dbraw/zinc/60/19/61/819601961.db2.gz	NNHHCTFJBYPBQV-HOTGVXAUSA-N	1	0	366.506	1.487	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2C[N@H+](C[C@@H]3COc4ccccc4O3)C[C@H]21	ZINC001075780317	819620835	/nfs/dbraw/zinc/62/08/35/819620835.db2.gz	HZUDTLGZPCSXKE-RCCFBDPRSA-N	1	0	352.434	1.773	20	30		FDEDRO
CNC(=O)c1ccc(CNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)cc1	ZINC000331224119	819669615	/nfs/dbraw/zinc/66/96/15/819669615.db2.gz	MBABXQVXOFFZJM-CQSZACIVSA-N	1	0	362.474	1.237	20	30		FDEDRO
CC(C)NC(=O)NC(=O)[C@H](C)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1	ZINC000331231486	819669973	/nfs/dbraw/zinc/66/99/73/819669973.db2.gz	IEUJHEDDKXNCQN-XIRDDKMYSA-N	1	0	361.490	1.833	20	30		FDEDRO
CNC(=O)c1ccc(CNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cc1	ZINC000331224116	819670161	/nfs/dbraw/zinc/67/01/61/819670161.db2.gz	MBABXQVXOFFZJM-AWEZNQCLSA-N	1	0	362.474	1.237	20	30		FDEDRO
CCNC(=O)N(C)c1cccc(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1	ZINC000331216359	819672594	/nfs/dbraw/zinc/67/25/94/819672594.db2.gz	PIPJEQJMBSYCAE-MRXNPFEDSA-N	1	0	362.478	1.628	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1	ZINC000665040104	819801729	/nfs/dbraw/zinc/80/17/29/819801729.db2.gz	XPSLAFVEYKLSOW-QRVBRYPASA-N	1	0	359.470	1.786	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cc2C1=O	ZINC000520550657	820068873	/nfs/dbraw/zinc/06/88/73/820068873.db2.gz	DNWBTEIBDOSUSO-UHFFFAOYSA-N	1	0	368.437	1.776	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4ccncc4C)[C@@H]3C2)C1=O	ZINC001075795324	820262793	/nfs/dbraw/zinc/26/27/93/820262793.db2.gz	MAIJROUCUFBVRG-IPMKNSEASA-N	1	0	368.481	1.252	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1	ZINC000983958129	820305540	/nfs/dbraw/zinc/30/55/40/820305540.db2.gz	CENWBQDCQOFULR-AHRSYUTCSA-N	1	0	367.493	1.977	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccn(C)c(=O)c1	ZINC001029312234	820539474	/nfs/dbraw/zinc/53/94/74/820539474.db2.gz	XGPSDWNJPDSVQH-HCXYKTFWSA-N	1	0	371.481	1.542	20	30		FDEDRO
C[C@H](C#N)CN(C(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1)C1CC1	ZINC000441920000	820985139	/nfs/dbraw/zinc/98/51/39/820985139.db2.gz	NBJNFOKBJVEOCE-CQSZACIVSA-N	1	0	358.442	1.716	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3cc(C)n[nH]3)[C@H]2CC)C1=O	ZINC001087538754	821035688	/nfs/dbraw/zinc/03/56/88/821035688.db2.gz	IKCSSQNWRNHLRF-BBWFWOEESA-N	1	0	359.474	1.017	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C[C@H]1CCc2ncnn21	ZINC001087548824	821302046	/nfs/dbraw/zinc/30/20/46/821302046.db2.gz	QOTQLBRXPGLMMT-OWCLPIDISA-N	1	0	353.430	1.248	20	30		FDEDRO
C[N@@H+]1CC[C@@H](C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1	ZINC000521927285	821398163	/nfs/dbraw/zinc/39/81/63/821398163.db2.gz	DARKIQMPQSHYCZ-CYBMUJFWSA-N	1	0	355.398	1.407	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCCN(CCOC)c2ccc(C#N)cn2)CC[N@@H+]1C	ZINC001126538367	821415796	/nfs/dbraw/zinc/41/57/96/821415796.db2.gz	PHBGYFLGXZKLDA-DLBZAZTESA-N	1	0	359.474	1.253	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3c(C)ccn3C)[C@H]2CC)C1=O	ZINC001087555276	821433334	/nfs/dbraw/zinc/43/33/34/821433334.db2.gz	XQATZUXQMIBHRS-GVDBMIGSSA-N	1	0	358.486	1.703	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cc1	ZINC000895192654	821648040	/nfs/dbraw/zinc/64/80/40/821648040.db2.gz	JWSIFALBYFHSCY-OALUTQOASA-N	1	0	357.454	1.439	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCN(C)C2=O)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087612979	821708280	/nfs/dbraw/zinc/70/82/80/821708280.db2.gz	ORCXGAAJPAEXHR-GBESFXJTSA-N	1	0	368.481	1.896	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3c(C)ncn3C)[C@H]2CC)C1=O	ZINC001087612427	821741313	/nfs/dbraw/zinc/74/13/13/821741313.db2.gz	OFYOGRAARPJINS-XHSDSOJGSA-N	1	0	359.474	1.098	20	30		FDEDRO
COCC#CCN[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C(F)(F)F	ZINC001112166488	821775045	/nfs/dbraw/zinc/77/50/45/821775045.db2.gz	WGUBUCMBGWGVBP-RRFJBIMHSA-N	1	0	361.408	1.099	20	30		FDEDRO
O=C(NCCC[NH2+]CC#Cc1ccccc1)[C@@H]1OCC[C@@H]1Cn1cccn1	ZINC001168086624	828428558	/nfs/dbraw/zinc/42/85/58/828428558.db2.gz	XGRPMYJTDGJHRF-WOJBJXKFSA-N	1	0	366.465	1.436	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N(C)C2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087841522	822565908	/nfs/dbraw/zinc/56/59/08/822565908.db2.gz	BEALDISBZSFQQR-CEXWTWQISA-N	1	0	368.481	1.896	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)Cn2ccnc2)CC[N@@H+]1Cc1cc(C#N)ccc1OC	ZINC001087847734	822583294	/nfs/dbraw/zinc/58/32/94/822583294.db2.gz	OJPLYSDJFGRZIT-ZWKOTPCHSA-N	1	0	367.453	1.933	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)C3C[NH+](C4CCOCC4)C3)CC2)cc1	ZINC000895408639	822586750	/nfs/dbraw/zinc/58/67/50/822586750.db2.gz	YCHDSEGUHSQEIP-UHFFFAOYSA-N	1	0	368.481	1.313	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087849280	822596859	/nfs/dbraw/zinc/59/68/59/822596859.db2.gz	QDUXIPMNCWETTD-KSZLIROESA-N	1	0	369.469	1.570	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]C[C@H]3CC(c4ccc5c(c4)CCO5)=NO3)cnc12	ZINC000895504511	822627043	/nfs/dbraw/zinc/62/70/43/822627043.db2.gz	JISQPOSEHQVKBH-QGZVFWFLSA-N	1	0	374.404	1.819	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)/C=C\c4ccco4)C[C@@H]3C2)C1=O	ZINC001087869624	822647990	/nfs/dbraw/zinc/64/79/90/822647990.db2.gz	YUOMPOZLULEYRG-FIVJTZFBSA-N	1	0	369.465	1.860	20	30		FDEDRO
N#C[C@@H](c1ccccc1)N1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1	ZINC000895600322	822664609	/nfs/dbraw/zinc/66/46/09/822664609.db2.gz	YDZCLPOTBHJUJA-MOPGFXCFSA-N	1	0	354.454	1.116	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cc[n+]([O-])cc4)C[C@@H]3C2)cc1	ZINC001087874799	822672787	/nfs/dbraw/zinc/67/27/87/822672787.db2.gz	OJRNAIOLTHBALP-UXHICEINSA-N	1	0	362.433	1.786	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCCC3=O)C[C@@H]2C1	ZINC001087879325	822696782	/nfs/dbraw/zinc/69/67/82/822696782.db2.gz	KTEFJHGOCSMQLH-MOPGFXCFSA-N	1	0	366.465	1.461	20	30		FDEDRO
C=C(C)COc1cccc(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)c1	ZINC000524910252	828474944	/nfs/dbraw/zinc/47/49/44/828474944.db2.gz	ANDGTEYFDDRPBO-UHFFFAOYSA-N	1	0	361.442	1.153	20	30		FDEDRO
C#CC[C@@H](CO)[NH2+]Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)o1	ZINC000895965737	823842837	/nfs/dbraw/zinc/84/28/37/823842837.db2.gz	YVULFOIQMKDWID-HNNXBMFYSA-N	1	0	363.458	1.811	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCNC(=O)C3)C[C@@H]2C1	ZINC001087933016	823984799	/nfs/dbraw/zinc/98/47/99/823984799.db2.gz	WRDSGYJWQZEHBV-IPELMVKDSA-N	1	0	366.465	1.365	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccn(C)c4)C[C@@H]3C2)C1=O	ZINC001087934193	823991283	/nfs/dbraw/zinc/99/12/83/823991283.db2.gz	VOMMLZGEMKEDGQ-BPQIPLTHSA-N	1	0	356.470	1.206	20	30		FDEDRO
C#Cc1ccc(CNC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)cc1	ZINC000840382758	823995907	/nfs/dbraw/zinc/99/59/07/823995907.db2.gz	SEZOSQMJGZOEAH-UHFFFAOYSA-N	1	0	370.497	1.264	20	30		FDEDRO
Cn1nccc1CC[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C1	ZINC001087940147	824034818	/nfs/dbraw/zinc/03/48/18/824034818.db2.gz	VUYYAGKVFHMKFV-ZBFHGGJFSA-N	1	0	352.442	1.256	20	30		FDEDRO
CCn1nncc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)CC[C@@H]2C1	ZINC001087957879	824165722	/nfs/dbraw/zinc/16/57/22/824165722.db2.gz	NOJZEUYZOQCXFR-KGLIPLIRSA-N	1	0	370.482	1.825	20	30		FDEDRO
C[C@@H](CCC#N)C[NH2+]CC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O	ZINC000896203063	824186150	/nfs/dbraw/zinc/18/61/50/824186150.db2.gz	QVIQRMKDVXTXCL-GJZGRUSLSA-N	1	0	373.519	1.940	20	30		FDEDRO
COc1ccc([C@@H]([NH2+]C(C)C)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1	ZINC000896314293	824308951	/nfs/dbraw/zinc/30/89/51/824308951.db2.gz	FMCHXJXGVHQFNL-PKOBYXMFSA-N	1	0	356.470	1.933	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)C(C)(C)C)C[C@@H]2C1	ZINC001087976174	824318262	/nfs/dbraw/zinc/31/82/62/824318262.db2.gz	CLLPWRIJIQPRQB-SQNIBIBYSA-N	1	0	359.514	1.827	20	30		FDEDRO
CC[C@H](C)[NH+]=C(NCC(=O)N(C)C)N1CCN(c2ccccc2F)CC1	ZINC000262266717	824358318	/nfs/dbraw/zinc/35/83/18/824358318.db2.gz	FXGVFNFRKQEYHS-HNNXBMFYSA-N	1	0	363.481	1.780	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)[C@H]2CC)cn1	ZINC000984695331	824501254	/nfs/dbraw/zinc/50/12/54/824501254.db2.gz	GIRVAVIVCKARQT-RCCFBDPRSA-N	1	0	354.454	1.266	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C1	ZINC000329045885	824546527	/nfs/dbraw/zinc/54/65/27/824546527.db2.gz	JMFJVBQBMVVBCI-QZWWFDLISA-N	1	0	366.506	1.485	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)CC[N@@H+]1C	ZINC000329054427	824549313	/nfs/dbraw/zinc/54/93/13/824549313.db2.gz	LSEIIRHWWQHINW-UMPJEAMMSA-N	1	0	362.478	1.068	20	30		FDEDRO
C[C@@H](NC(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@H]1C[N@H+](C)CCN1C	ZINC000896543071	824554702	/nfs/dbraw/zinc/55/47/02/824554702.db2.gz	WMWKKWUCINSGES-RDTXWAMCSA-N	1	0	352.442	1.108	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CC1	ZINC000429716728	828662963	/nfs/dbraw/zinc/66/29/63/828662963.db2.gz	KPDMNRQRVLIIPN-BWPNAZKDSA-N	1	0	374.529	1.616	20	30		FDEDRO
Cn1ccc2ccc(NC(=O)N3CC[NH+](CC(C)(C)O)CC3)cc2c1=O	ZINC000329127336	824613003	/nfs/dbraw/zinc/61/30/03/824613003.db2.gz	MYBXNCNZNVAJHH-UHFFFAOYSA-N	1	0	358.442	1.473	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)COc3ccc(C#N)cc3)CC2)C1=O	ZINC000329168409	824639087	/nfs/dbraw/zinc/63/90/87/824639087.db2.gz	JADIUIGCKPKHNI-KRWDZBQOSA-N	1	0	356.426	1.589	20	30		FDEDRO
CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)N1CCCC1=O	ZINC000329213811	824672525	/nfs/dbraw/zinc/67/25/25/824672525.db2.gz	KBIYKBWFNPBJME-UYTSQGDYSA-N	1	0	364.490	1.428	20	30		FDEDRO
C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@]3(C2)NC(=O)N(C)C3=O)C1	ZINC000329235366	824686570	/nfs/dbraw/zinc/68/65/70/824686570.db2.gz	INMDXZFBAAWBRI-FZKQIMNGSA-N	1	0	365.478	1.241	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H](c3ccnn3C)C2)CC1	ZINC000329274370	824707915	/nfs/dbraw/zinc/70/79/15/824707915.db2.gz	ILIQSCRPKQWWKW-HKUYNNGSSA-N	1	0	372.517	1.292	20	30		FDEDRO
O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)N1CCC2(CC1)CC(=O)C=CO2	ZINC000896609513	824718380	/nfs/dbraw/zinc/71/83/80/824718380.db2.gz	OSUGODCYQLAMPM-CVEARBPZSA-N	1	0	365.499	1.614	20	30		FDEDRO
O=C(Nc1ccccc1CN1CCNC1=O)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000329291094	824719773	/nfs/dbraw/zinc/71/97/73/824719773.db2.gz	QSJSEXGPXUJRFD-INIZCTEOSA-N	1	0	355.442	1.908	20	30		FDEDRO
Cc1noc([C@@H]2CCCN2C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)n1	ZINC000329297180	824720432	/nfs/dbraw/zinc/72/04/32/824720432.db2.gz	TWLYIQIEFGYGIE-HOCLYGCPSA-N	1	0	363.462	1.930	20	30		FDEDRO
CC(C)N1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1=O	ZINC000329310148	824729899	/nfs/dbraw/zinc/72/98/99/824729899.db2.gz	FTCQGBYYAZWRLI-IAGOWNOFSA-N	1	0	366.506	1.221	20	30		FDEDRO
CCO[C@@H](CNC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1)C[NH+](C)C	ZINC000896683733	824788893	/nfs/dbraw/zinc/78/88/93/824788893.db2.gz	VJMYZNFLINOPBI-ZWKOTPCHSA-N	1	0	360.458	1.608	20	30		FDEDRO
C[C@@H](O)C1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CC1	ZINC000329487394	824830176	/nfs/dbraw/zinc/83/01/76/824830176.db2.gz	GQZACMSQMULWII-UWWQBHOKSA-N	1	0	363.506	1.810	20	30		FDEDRO
C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1CCn2ncc(C(N)=O)c2C1	ZINC000329529241	824854632	/nfs/dbraw/zinc/85/46/32/824854632.db2.gz	VBASFUBGWOTAPC-IPYPFGDCSA-N	1	0	362.478	1.515	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3cnn(CC(F)(F)F)c3)C2)CC1	ZINC000329540460	824866950	/nfs/dbraw/zinc/86/69/50/824866950.db2.gz	WOPQNSCUSYLJFE-CQSZACIVSA-N	1	0	374.411	1.703	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)[C@@H]1CCCC[N@@H+]1C	ZINC000984779050	824880712	/nfs/dbraw/zinc/88/07/12/824880712.db2.gz	MXWCGWCTGGXJBG-UAGQMJEPSA-N	1	0	357.458	1.480	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)CC[C@@H]1CCC[N@@H+]1C	ZINC000984790571	824920987	/nfs/dbraw/zinc/92/09/87/824920987.db2.gz	WOORTKPHRAXJFL-OKZBNKHCSA-N	1	0	371.485	1.870	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3c(C)oc4nc[nH]c(=O)c43)C[C@@H]2C1	ZINC001087993779	824961309	/nfs/dbraw/zinc/96/13/09/824961309.db2.gz	CDSARQHJLHMKJL-KGLIPLIRSA-N	1	0	354.410	1.654	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCC3)CC[C@@H]2C1	ZINC001087994291	824968535	/nfs/dbraw/zinc/96/85/35/824968535.db2.gz	ALAXNAUOTKMEPA-SJORKVTESA-N	1	0	356.470	1.300	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c(c3)OCC(=O)N4)C[C@@H]2C1	ZINC001087994536	824968812	/nfs/dbraw/zinc/96/88/12/824968812.db2.gz	PASLFZZXISZNMI-CVEARBPZSA-N	1	0	353.422	1.435	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4c[nH]nc4CC)C[C@@H]3C2)C1=O	ZINC001088023245	825349999	/nfs/dbraw/zinc/34/99/99/825349999.db2.gz	VMWOMMIPIDBJMF-RVKKMQEKSA-N	1	0	371.485	1.153	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3sccc3-n3cnnn3)C[C@@H]2C1	ZINC001088026053	825402490	/nfs/dbraw/zinc/40/24/90/825402490.db2.gz	PZNISIHFINKAMP-KGLIPLIRSA-N	1	0	358.471	1.694	20	30		FDEDRO
CC(=O)N1CCC(NC(=O)C[NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)CC1	ZINC000329730727	825405962	/nfs/dbraw/zinc/40/59/62/825405962.db2.gz	DGUDLJGWLNGPRA-QUCCMNQESA-N	1	0	358.486	1.989	20	30		FDEDRO
C[C@@H](NC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1ncnn1C	ZINC000329939522	825554016	/nfs/dbraw/zinc/55/40/16/825554016.db2.gz	TYXBICDIIUMCSQ-RBSFLKMASA-N	1	0	364.494	1.611	20	30		FDEDRO
CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1	ZINC000329972578	825572129	/nfs/dbraw/zinc/57/21/29/825572129.db2.gz	YEZCYTWKMMNTFN-FGTMMUONSA-N	1	0	358.486	1.735	20	30		FDEDRO
C[NH+]1CCN(Cc2cccc(NC(=O)c3cn([C@H]4CCOC4)nn3)c2)CC1	ZINC000330050933	825611805	/nfs/dbraw/zinc/61/18/05/825611805.db2.gz	MPTLBVGLMZQUPH-KRWDZBQOSA-N	1	0	370.457	1.623	20	30		FDEDRO
Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cn1	ZINC000330053423	825613373	/nfs/dbraw/zinc/61/33/73/825613373.db2.gz	QKDLXHVSUGRZFI-LESCRADOSA-N	1	0	374.489	1.912	20	30		FDEDRO
Cn1c(=O)[nH]c(=O)c2cc(C(=O)NC3CC([NH+]4CCCCC4)C3)cnc21	ZINC000330079976	825624459	/nfs/dbraw/zinc/62/44/59/825624459.db2.gz	GEYYPVUSVPOEOF-UHFFFAOYSA-N	1	0	357.414	1.356	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cn([C@@H]2CCOC2)nn1	ZINC000330093993	825633883	/nfs/dbraw/zinc/63/38/83/825633883.db2.gz	SFFUJZJLQUDRCT-OIISXLGYSA-N	1	0	363.462	1.312	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3c3nccs3)C[C@@H]2C1	ZINC001088053549	825644267	/nfs/dbraw/zinc/64/42/67/825644267.db2.gz	MXSUTKNQRHLMJT-IXDOHACOSA-N	1	0	358.511	1.916	20	30		FDEDRO
CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)c2C1	ZINC000330177879	825707454	/nfs/dbraw/zinc/70/74/54/825707454.db2.gz	LBWPMSBQAPFONP-NUJGCVRESA-N	1	0	373.501	1.978	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCN(CC)C4=O)CC[C@@H]3C2)cc1	ZINC001088062051	825752235	/nfs/dbraw/zinc/75/22/35/825752235.db2.gz	LDWOXYBSBUNHJS-HSALFYBXSA-N	1	0	365.477	1.683	20	30		FDEDRO
CN1CCN(C(=O)C2CCN(C(=O)NC[C@@H]3CCC(F)(F)C3)CC2)CC1	ZINC000330255625	825768128	/nfs/dbraw/zinc/76/81/28/825768128.db2.gz	BIPQKIIHYGAALP-CQSZACIVSA-N	1	0	372.460	1.822	20	30		FDEDRO
Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C	ZINC000330257702	825769672	/nfs/dbraw/zinc/76/96/72/825769672.db2.gz	LTSBNCDEXWITIH-CZUORRHYSA-N	1	0	362.478	1.521	20	30		FDEDRO
CN(C)c1noc(CCC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)n1	ZINC000330285426	825794895	/nfs/dbraw/zinc/79/48/95/825794895.db2.gz	YWSBADWVDACJHZ-UHFFFAOYSA-N	1	0	364.494	1.583	20	30		FDEDRO
Cc1c([C@@H]2[C@H](C(=O)NCC[N@H+]3CCC[C@@H](C)C3)CC(=O)N2C)cnn1C	ZINC000330291558	825815520	/nfs/dbraw/zinc/81/55/20/825815520.db2.gz	GNMGQJOSGBOOPH-SIIHOXLZSA-N	1	0	361.490	1.936	20	30		FDEDRO
C[C@H](CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)C[NH+]1CCN(C)CC1	ZINC000281046912	825855795	/nfs/dbraw/zinc/85/57/95/825855795.db2.gz	XPCFJXFAFQMQAG-VQIMIIECSA-N	1	0	353.470	1.240	20	30		FDEDRO
C[C@@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(OCC#N)cc1	ZINC000281232196	825918817	/nfs/dbraw/zinc/91/88/17/825918817.db2.gz	UVMZKSLGUHFIKS-KGLIPLIRSA-N	1	0	353.426	1.798	20	30		FDEDRO
C=CCN1CC[C@H](N(C)CC(C)C[N@H+](C)[C@H]2CCN(CC=C)C2=O)C1=O	ZINC000281239248	825920898	/nfs/dbraw/zinc/92/08/98/825920898.db2.gz	FZOYPSAZZLTHBB-ROUUACIJSA-N	1	0	362.518	1.060	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)C3CC=CC3)[C@@H]2CC)CC1	ZINC000984989304	826006189	/nfs/dbraw/zinc/00/61/89/826006189.db2.gz	OJULXBSGJKDGJE-RBUKOAKNSA-N	1	0	357.498	1.794	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4(C(C)C)CC4)C[C@@H]3C2)C1=O	ZINC001088097857	826382311	/nfs/dbraw/zinc/38/23/11/826382311.db2.gz	MJWYFLQHRRUSEB-FGTMMUONSA-N	1	0	359.514	1.990	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4(C)CC(=C)C4)C[C@@H]3C2)C1=O	ZINC001088098338	826386942	/nfs/dbraw/zinc/38/69/42/826386942.db2.gz	FEBGYVVPGCBQIE-FGTMMUONSA-N	1	0	357.498	1.910	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3C[N@H+](Cc4cnc(C)o4)CC[C@@H]3C2)c1	ZINC001088100019	826396535	/nfs/dbraw/zinc/39/65/35/826396535.db2.gz	PPRVKHVCCMCEJB-AEFFLSMTSA-N	1	0	350.422	1.953	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccn(CC(C)C)c3=O)C[C@@H]2C1	ZINC001088130714	826562694	/nfs/dbraw/zinc/56/26/94/826562694.db2.gz	COYQQPAPRHVRQX-MSOLQXFVSA-N	1	0	355.482	1.922	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3nnn(C)c3C(F)(F)F)C[C@@H]2C1	ZINC001088133928	826568590	/nfs/dbraw/zinc/56/85/90/826568590.db2.gz	ILEBJQBWPCRJOJ-NEPJUHHUSA-N	1	0	355.364	1.251	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)NS(C)(=O)=O)C2	ZINC001112536717	826577459	/nfs/dbraw/zinc/57/74/59/826577459.db2.gz	VZKBITPFNGLOMI-VYDXJSESSA-N	1	0	357.520	1.109	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2[nH]c3ccccc3c2C#N)CC1	ZINC000897022040	826780861	/nfs/dbraw/zinc/78/08/61/826780861.db2.gz	MLJBLXZPGOGPII-KRWDZBQOSA-N	1	0	365.437	1.418	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2CC)nc1	ZINC000985212036	826919587	/nfs/dbraw/zinc/91/95/87/826919587.db2.gz	OIDYNDAMNBHIAL-HHXXYDBFSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2CC)cn1	ZINC000985209517	826928651	/nfs/dbraw/zinc/92/86/51/826928651.db2.gz	CMYIWLACAZMJFV-RCCFBDPRSA-N	1	0	356.470	1.512	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(Cn4cccn4)on3)C[C@@H]2C1	ZINC001088164988	826942792	/nfs/dbraw/zinc/94/27/92/826942792.db2.gz	IOVSWVMPZCFOFW-CVEARBPZSA-N	1	0	353.426	1.337	20	30		FDEDRO
C[C@@H]1CN(C(=[NH2+])NCC2(c3ccc4c(c3)OCO4)CCOCC2)CCO1	ZINC000262447658	826960377	/nfs/dbraw/zinc/96/03/77/826960377.db2.gz	JEIREKQSBDKLHC-CQSZACIVSA-N	1	0	361.442	1.499	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C2CCN(S(=O)(=O)CCCC)CC2)CC1	ZINC000928656747	827108489	/nfs/dbraw/zinc/10/84/89/827108489.db2.gz	CJEQMUUKBAHXIV-UHFFFAOYSA-N	1	0	369.531	1.042	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3cnccc3C)[C@H]2C)CC1	ZINC000987505792	833164702	/nfs/dbraw/zinc/16/47/02/833164702.db2.gz	NYTSASQXMNHUIE-APWZRJJASA-N	1	0	368.481	1.454	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCCN(C)C4=O)CC[C@@H]3C2)cn1	ZINC001088175428	827225954	/nfs/dbraw/zinc/22/59/54/827225954.db2.gz	VWUVBEMPAJVYTI-ZIFCJYIRSA-N	1	0	366.465	1.078	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4cn(C)nc4C)CC[C@@H]3C2)cn1	ZINC001088175387	827226241	/nfs/dbraw/zinc/22/62/41/827226241.db2.gz	TXJMMKYXEBHTKK-MJGOQNOKSA-N	1	0	363.465	1.699	20	30		FDEDRO
N#Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC(=O)N4)C[C@@H]3C2)ccc1F	ZINC001088176670	827272865	/nfs/dbraw/zinc/27/28/65/827272865.db2.gz	JEYZXTBXXYKPCP-HFTRVMKXSA-N	1	0	370.428	1.256	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)C)CC[C@@H]2C1	ZINC001088183470	827305736	/nfs/dbraw/zinc/30/57/36/827305736.db2.gz	HRHUFCXEZVVFSA-MOPGFXCFSA-N	1	0	353.466	1.079	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cccn4CC)C[C@@H]3C2)C1=O	ZINC001088202589	827454421	/nfs/dbraw/zinc/45/44/21/827454421.db2.gz	KFBYWABLJFNCIR-ZIFCJYIRSA-N	1	0	370.497	1.689	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)COc3ccc(C(N)=O)cc3)C[C@@H]2C1	ZINC001088205920	827463377	/nfs/dbraw/zinc/46/33/77/827463377.db2.gz	UCTUDMXJDYZQBS-SJORKVTESA-N	1	0	357.454	1.521	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(=O)C(C)C)C[C@@H]2C1	ZINC001088211138	827488457	/nfs/dbraw/zinc/48/84/57/827488457.db2.gz	SMIVYODDFNBPKN-QYZOEREBSA-N	1	0	359.514	1.827	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cn4ccnc4)C[C@@H]3C2)s1	ZINC001088219462	827538818	/nfs/dbraw/zinc/53/88/18/827538818.db2.gz	DORRGSVYMKVUGH-CABCVRRESA-N	1	0	355.467	1.797	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC(CO[C@H]3CCN(CC#N)C3)CC2)CC[N@@H+]1C	ZINC001088234612	827598918	/nfs/dbraw/zinc/59/89/18/827598918.db2.gz	XNCBFLZMSMPWJQ-GBESFXJTSA-N	1	0	362.518	1.570	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3CCO[C@H]3C=C)CC2)C1	ZINC001088237832	827638199	/nfs/dbraw/zinc/63/81/99/827638199.db2.gz	DSVMSKCNPIJARC-ZCNNSNEGSA-N	1	0	360.498	1.930	20	30		FDEDRO
C=CCCOCC(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1	ZINC000665671396	827662290	/nfs/dbraw/zinc/66/22/90/827662290.db2.gz	OTNFQROXSONZBU-UHFFFAOYSA-N	1	0	359.470	1.593	20	30		FDEDRO
CC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1	ZINC000456535475	827726510	/nfs/dbraw/zinc/72/65/10/827726510.db2.gz	UOCYRFCUTHONKA-QFBILLFUSA-N	1	0	368.481	1.992	20	30		FDEDRO
C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@](C)(O)C[NH+](C)C	ZINC000866921623	827771406	/nfs/dbraw/zinc/77/14/06/827771406.db2.gz	ZCSUSVDIAUFPPR-WBMJQRKESA-N	1	0	363.886	1.451	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@@H]2CCCN(C)C2=O)CC1	ZINC000985436089	827821532	/nfs/dbraw/zinc/82/15/32/827821532.db2.gz	UWFYSSBPBJAXIA-KURKYZTESA-N	1	0	363.502	1.511	20	30		FDEDRO
CC(C)CC(=O)N1CCN(C(=O)CCCCCNC(=[NH2+])NC(C)C)CC1	ZINC000303984230	827951410	/nfs/dbraw/zinc/95/14/10/827951410.db2.gz	RWKNYSILAWVUJW-UHFFFAOYSA-N	1	0	367.538	1.576	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@H](C[N@H+](C)Cc3ccccc3C#N)C2)C1	ZINC001029740824	827955428	/nfs/dbraw/zinc/95/54/28/827955428.db2.gz	AZQUOETXTFFEHV-GPMSIDNRSA-N	1	0	368.481	1.753	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@@H](C[N@H+](C)Cc3ccc(C#N)cc3)C2)C1	ZINC001029741534	827959057	/nfs/dbraw/zinc/95/90/57/827959057.db2.gz	WBBCBGANSQTGLA-AYOQOUSVSA-N	1	0	368.481	1.753	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC([N@H+](C)Cc2ccccc2C#N)CC1	ZINC000985479330	827978150	/nfs/dbraw/zinc/97/81/50/827978150.db2.gz	VRZJUCARWKOJMS-KXBFYZLASA-N	1	0	357.454	1.785	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+](C)C2CCN(C(=O)[C@H]3OCC[C@H]3CC)CC2)C1=O	ZINC000985482049	827986497	/nfs/dbraw/zinc/98/64/97/827986497.db2.gz	SUUQPRUYIAVRNM-NXHRZFHOSA-N	1	0	363.502	1.511	20	30		FDEDRO
[NH2+]=C(NCCN1CCN(C(=O)C2CCCCC2)CC1)NC1CCCCC1	ZINC000262541493	828074192	/nfs/dbraw/zinc/07/41/92/828074192.db2.gz	SDLUQKUACAHKRK-UHFFFAOYSA-N	1	0	363.550	1.948	20	30		FDEDRO
C[NH+](C)CCNC(=O)C1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1	ZINC000527263066	829011684	/nfs/dbraw/zinc/01/16/84/829011684.db2.gz	GOFXMRIPHNJNRL-LJQANCHMSA-N	1	0	370.497	1.990	20	30		FDEDRO
C[C@@H](C(=O)NC1CCC(Oc2ncccc2C#N)CC1)N1CCN(C)CC1	ZINC000527363889	829045446	/nfs/dbraw/zinc/04/54/46/829045446.db2.gz	SSVAHWDIFXMPEK-ZLPCBKJTSA-N	1	0	371.485	1.395	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc3c2OCC[C@H]3OC)CC1	ZINC000448362841	829100772	/nfs/dbraw/zinc/10/07/72/829100772.db2.gz	ARKOIXQNMHJBIR-QGZVFWFLSA-N	1	0	373.453	1.862	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1	ZINC000448948647	829307818	/nfs/dbraw/zinc/30/78/18/829307818.db2.gz	FLPDJGICMYBABI-MOPGFXCFSA-N	1	0	371.481	1.720	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(C[C@H](O)COc2ccccc2C#N)CC1	ZINC000528375902	829369346	/nfs/dbraw/zinc/36/93/46/829369346.db2.gz	DPDYJAYPUBMKEX-PMACEKPBSA-N	1	0	372.513	1.400	20	30		FDEDRO
CC(C)C(=O)NC[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1	ZINC000528369169	829374442	/nfs/dbraw/zinc/37/44/42/829374442.db2.gz	SFUGZMRKNMDVKC-SJLPKXTDSA-N	1	0	359.470	1.782	20	30		FDEDRO
COCCO[C@@H]1CCC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000528422800	829403088	/nfs/dbraw/zinc/40/30/88/829403088.db2.gz	JUKXFTULKJVHKL-MRXNPFEDSA-N	1	0	356.422	1.413	20	30		FDEDRO
CC(C)(C)NC(=O)N1CCN(C[C@H](O)COc2ccccc2C#N)CC1	ZINC000528460961	829415131	/nfs/dbraw/zinc/41/51/31/829415131.db2.gz	YTEVXYMOSAOGHN-INIZCTEOSA-N	1	0	360.458	1.424	20	30		FDEDRO
CC(C)(C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1)C(N)=O	ZINC000528519563	829435720	/nfs/dbraw/zinc/43/57/20/829435720.db2.gz	UNLWTJRQKWBUIP-DOTOQJQBSA-N	1	0	359.470	1.912	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1	ZINC000528525752	829436559	/nfs/dbraw/zinc/43/65/59/829436559.db2.gz	NVARYPJQMFVKFL-GBESFXJTSA-N	1	0	365.433	1.499	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	ZINC000528523678	829436948	/nfs/dbraw/zinc/43/69/48/829436948.db2.gz	VLEQEMISSCLNBR-KSZLIROESA-N	1	0	350.418	1.833	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCc2ccccc21	ZINC001168109496	829527856	/nfs/dbraw/zinc/52/78/56/829527856.db2.gz	AFKBFADPBXEGGO-PXNSSMCTSA-N	1	0	371.481	1.653	20	30		FDEDRO
Cn1c(C#N)ccc1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1	ZINC000449981606	829747634	/nfs/dbraw/zinc/74/76/34/829747634.db2.gz	YOPGSXPNRJLJFL-UHFFFAOYSA-N	1	0	352.438	1.783	20	30		FDEDRO
C=CCC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)CC2)CC1	ZINC000985825230	829773041	/nfs/dbraw/zinc/77/30/41/829773041.db2.gz	DEPKLRDJFSLFAY-ZWKOTPCHSA-N	1	0	360.502	1.490	20	30		FDEDRO
CC[NH+]1CCC(N2CCCN(C(=O)Cc3ccc(C#N)nc3)CC2)CC1	ZINC000529499990	829909436	/nfs/dbraw/zinc/90/94/36/829909436.db2.gz	RKZCFBYPENBUDL-UHFFFAOYSA-N	1	0	355.486	1.514	20	30		FDEDRO
COc1ccc(CN2CC[C@H]2C[NH2+]Cc2cnc3c(C#N)cnn3c2)cc1	ZINC000529644925	829960058	/nfs/dbraw/zinc/96/00/58/829960058.db2.gz	RFNDKEYGHUYNRP-SFHVURJKSA-N	1	0	362.437	1.974	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)CCN1c2ccccc2O[C@H](C)C1=O	ZINC000729808436	837423908	/nfs/dbraw/zinc/42/39/08/837423908.db2.gz	BPMNFCSVDBUWCT-HZPDHXFCSA-N	1	0	356.422	1.831	20	30		FDEDRO
C[NH+](C)C1(C(=O)N2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]3C2)CCC1	ZINC000985984227	830240566	/nfs/dbraw/zinc/24/05/66/830240566.db2.gz	SFXUZUPRUFBMFQ-ZBFHGGJFSA-N	1	0	369.469	1.291	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC2CCC(C#N)CC2)CC1	ZINC000374237383	830371809	/nfs/dbraw/zinc/37/18/09/830371809.db2.gz	LXEJFBNBCMKSNE-JCYILVPMSA-N	1	0	361.490	1.264	20	30		FDEDRO
C[C@@H]1C[C@]1(C#N)C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000451698400	830423789	/nfs/dbraw/zinc/42/37/89/830423789.db2.gz	ZFXHCUZLLGBHMI-SLYNCCJLSA-N	1	0	352.482	1.955	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)C1	ZINC000986085143	830603952	/nfs/dbraw/zinc/60/39/52/830603952.db2.gz	YYHZZHJTXSFBCH-AABGKKOBSA-N	1	0	371.525	1.685	20	30		FDEDRO
C=CCc1ccc(OCC(=O)NC[C@H]2CCCC[N@@H+]2CCO)c(OC)c1	ZINC000452391872	830643458	/nfs/dbraw/zinc/64/34/58/830643458.db2.gz	QPPKWRGBRBSGBC-QGZVFWFLSA-N	1	0	362.470	1.766	20	30		FDEDRO
C=C[C@H](CO)NC(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1	ZINC000665995053	830684384	/nfs/dbraw/zinc/68/43/84/830684384.db2.gz	ZPSKBGMQLWWFSB-MRXNPFEDSA-N	1	0	358.442	1.642	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]2C1)[NH+]1CCCCCC1	ZINC000986095233	830706075	/nfs/dbraw/zinc/70/60/75/830706075.db2.gz	JBXONNDWBGUZSL-SXLOBPIMSA-N	1	0	371.525	1.971	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)ccc1C#N	ZINC000453588447	830959469	/nfs/dbraw/zinc/95/94/69/830959469.db2.gz	DJPPHAKAYBIOHI-AWEZNQCLSA-N	1	0	357.458	1.829	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)ccc1C#N	ZINC000453601867	830963470	/nfs/dbraw/zinc/96/34/70/830963470.db2.gz	IFGDKYMJWZZZCZ-MRXNPFEDSA-N	1	0	369.400	1.758	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)CCC3=O)CC1	ZINC000453637696	830975534	/nfs/dbraw/zinc/97/55/34/830975534.db2.gz	HYAKZZOWDCYTIA-UHFFFAOYSA-N	1	0	355.438	1.911	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)c1	ZINC000453736941	831050128	/nfs/dbraw/zinc/05/01/28/831050128.db2.gz	MAIQDFQKVMBKQN-OAHLLOKOSA-N	1	0	370.453	1.517	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CCC[N@@H+](CCCO)C1	ZINC000453819836	831097123	/nfs/dbraw/zinc/09/71/23/831097123.db2.gz	NLGMXQVJNKPPTP-KRWDZBQOSA-N	1	0	359.470	1.707	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4CC4(C)C)C[C@H]3C2)CC1	ZINC000986247290	831361071	/nfs/dbraw/zinc/36/10/71/831361071.db2.gz	ZUUCTYDVRXTVCY-QYZOEREBSA-N	1	0	371.525	1.685	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)CC[C@@H]2C1	ZINC000986258587	831388802	/nfs/dbraw/zinc/38/88/02/831388802.db2.gz	IMBMIFPGQNMBNP-HSALFYBXSA-N	1	0	371.525	1.970	20	30		FDEDRO
C[NH+]=C(NCC1(O)CCC1)N1CCN(Cc2cc(F)ccc2OC)CC1	ZINC000262792776	831459187	/nfs/dbraw/zinc/45/91/87/831459187.db2.gz	OSMUQWVNKDIVMK-UHFFFAOYSA-N	1	0	364.465	1.442	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1	ZINC000986426920	831663065	/nfs/dbraw/zinc/66/30/65/831663065.db2.gz	FIFFIUBNUWXUPB-UWVAXJGDSA-N	1	0	359.514	1.991	20	30		FDEDRO
COc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)[C@H]2C)cc1C#N	ZINC001088494077	831772635	/nfs/dbraw/zinc/77/26/35/831772635.db2.gz	KIALJSGDGNYTSU-JLSDUUJJSA-N	1	0	356.470	1.740	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN2CC[C@H](NC(=O)C[C@@H]3CCOC3)[C@H]2C)c1	ZINC001088502189	831868095	/nfs/dbraw/zinc/86/80/95/831868095.db2.gz	YEIOTUOKHDPXQF-AYBZRNKSSA-N	1	0	369.465	1.612	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C(=O)Nc2cc(C)on2)C[C@H]1C(F)(F)F	ZINC001112205786	831868188	/nfs/dbraw/zinc/86/81/88/831868188.db2.gz	AKZILPSIXCUHQZ-GHMZBOCLSA-N	1	0	360.336	1.477	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cncc(C(N)=O)c2)C[C@H]1C(F)(F)F	ZINC001112207060	831907842	/nfs/dbraw/zinc/90/78/42/831907842.db2.gz	JQPJBDPLYQWTJG-ZIAGYGMSSA-N	1	0	370.375	1.739	20	30		FDEDRO
C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[C@H]1C(=O)N(C)C)C[C@H](C)O2	ZINC001098635682	831985227	/nfs/dbraw/zinc/98/52/27/831985227.db2.gz	PLRIYIJZYPPZMX-BBWFWOEESA-N	1	0	363.502	1.369	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CCN1CC#Cc1ccc(F)cc1	ZINC001088505440	832040012	/nfs/dbraw/zinc/04/00/12/832040012.db2.gz	IWRDKJPKUGUWJP-AYOQOUSVSA-N	1	0	359.445	1.087	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CCNC(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC001059734705	832124151	/nfs/dbraw/zinc/12/41/51/832124151.db2.gz	ZDZLOJNMINPJSF-JCGIZDLHSA-N	1	0	371.485	1.585	20	30		FDEDRO
CC(C)(C)O[C@@H]1C[C@H](NC(=[NH2+])N2CCN(c3ncccn3)CC2)C1(C)C	ZINC000263043738	832275037	/nfs/dbraw/zinc/27/50/37/832275037.db2.gz	CRKHXSPTLTXFQW-LSDHHAIUSA-N	1	0	360.506	1.896	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C[C@H](O)c1ccc(F)cc1	ZINC001088511130	832320179	/nfs/dbraw/zinc/32/01/79/832320179.db2.gz	AQMKIDWJXSHDJD-PUECVXPYSA-N	1	0	356.401	1.952	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCC(N)=O)C2)CCCCC1	ZINC001112214142	832341826	/nfs/dbraw/zinc/34/18/26/832341826.db2.gz	PJTIHTJHWZXARV-CHWSQXEVSA-N	1	0	359.392	1.424	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CCCC)NC(N)=O)C[C@H]1C(F)(F)F	ZINC001112215966	832375124	/nfs/dbraw/zinc/37/51/24/832375124.db2.gz	PZVIXPDGTZJTRS-JHJVBQTASA-N	1	0	362.396	1.216	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1ccc(C(N)=O)cc1	ZINC001088528815	832457608	/nfs/dbraw/zinc/45/76/08/832457608.db2.gz	QICIINFBXYZKLZ-WBMJQRKESA-N	1	0	351.410	1.378	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)NC(=O)C2CCC2)C[C@H]1C(F)(F)F	ZINC001112220164	832493055	/nfs/dbraw/zinc/49/30/55/832493055.db2.gz	OWYGMZRMJCUUON-MRVWCRGKSA-N	1	0	359.392	1.293	20	30		FDEDRO
C#CC[C@H]1CCN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1	ZINC000888119535	832656436	/nfs/dbraw/zinc/65/64/36/832656436.db2.gz	IOZKKRVGYREYAO-INIZCTEOSA-N	1	0	356.470	1.533	20	30		FDEDRO
[NH2+]=C(NCc1ccn(C2CCCC2)n1)N1CCN(c2ncccn2)CC1	ZINC000263282933	832812983	/nfs/dbraw/zinc/81/29/83/832812983.db2.gz	SOWKHPMGSVYZID-UHFFFAOYSA-N	1	0	354.462	1.425	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001059831888	833649141	/nfs/dbraw/zinc/64/91/41/833649141.db2.gz	ZPUQBEUAQCGFAZ-FGTMMUONSA-N	1	0	365.518	1.664	20	30		FDEDRO
C[NH+](C)C1CCN(C(=O)Cc2noc(CCc3ccc(C#N)cc3)n2)CC1	ZINC000350924414	833729384	/nfs/dbraw/zinc/72/93/84/833729384.db2.gz	LIORDADHKWVVRC-UHFFFAOYSA-N	1	0	367.453	1.822	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC000988031554	833902616	/nfs/dbraw/zinc/90/26/16/833902616.db2.gz	MTWUVUASEWPJIQ-GPMSIDNRSA-N	1	0	368.481	1.324	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CN(C)C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000988032228	833903322	/nfs/dbraw/zinc/90/33/22/833903322.db2.gz	QFXFYXMEAXPMHE-UWWQBHOKSA-N	1	0	371.485	1.537	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1	ZINC000988069081	833992630	/nfs/dbraw/zinc/99/26/30/833992630.db2.gz	QCUSYBLXCQKDKS-ZACQAIPSSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)Cn2ccnc2)C1	ZINC001059867028	834335290	/nfs/dbraw/zinc/33/52/90/834335290.db2.gz	IKQPAWVVOSWXSS-ZACQAIPSSA-N	1	0	360.458	1.219	20	30		FDEDRO
C=CCC[C@@H](CO)NC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C	ZINC000454060589	834512652	/nfs/dbraw/zinc/51/26/52/834512652.db2.gz	RYAYBMWZTYWNNY-XJKSGUPXSA-N	1	0	361.442	1.454	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)Cc2ccn(C)n2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088562268	834557105	/nfs/dbraw/zinc/55/71/05/834557105.db2.gz	MMGIJQKUWVXZCX-BEFAXECRSA-N	1	0	367.453	1.644	20	30		FDEDRO
N#Cc1ccc(-c2ccc(-c3noc([C@H](CO)NC(=O)C[NH3+])n3)cc2)cc1	ZINC001211956066	835122030	/nfs/dbraw/zinc/12/20/30/835122030.db2.gz	IGABHRSBFMTCEG-INIZCTEOSA-N	1	0	363.377	1.384	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1	ZINC000897481898	835151022	/nfs/dbraw/zinc/15/10/22/835151022.db2.gz	JRMVVYIOTZTSLX-MJGOQNOKSA-N	1	0	355.486	1.890	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)[C@@H]2C)CC1	ZINC000988506860	835661180	/nfs/dbraw/zinc/66/11/80/835661180.db2.gz	QTQGUYMGGGVSOH-IQRFUGTFSA-N	1	0	357.498	1.483	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCN1C(=O)C#CC1CC1	ZINC000988539180	835846028	/nfs/dbraw/zinc/84/60/28/835846028.db2.gz	DMLSMLWDBRQNKO-AYOQOUSVSA-N	1	0	357.498	1.912	20	30		FDEDRO
CCN1C[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1=O	ZINC000455408469	836045715	/nfs/dbraw/zinc/04/57/15/836045715.db2.gz	NAHXDVORQSRZRU-GOSISDBHSA-N	1	0	369.469	1.396	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(CC(=O)N3CCO[C@H](C)C3)[C@@H]2C)cc1	ZINC001088786851	844171178	/nfs/dbraw/zinc/17/11/78/844171178.db2.gz	CGIVFWSDVPVRQF-MDZRGWNJSA-N	1	0	369.465	1.108	20	30		FDEDRO
C[NH+]=C(NCCN1CCOC(C)(C)C1)N1CC[C@H](C)[C@H](n2ccnc2)C1	ZINC000179226756	836766795	/nfs/dbraw/zinc/76/67/95/836766795.db2.gz	CUEHNAPXOLLCCF-DLBZAZTESA-N	1	0	362.522	1.452	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnccc2C)[C@@H]1C	ZINC000988737529	836931228	/nfs/dbraw/zinc/93/12/28/836931228.db2.gz	APIHZVMZKSEBJU-NJAFHUGGSA-N	1	0	354.454	1.207	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1	ZINC000938033742	837062756	/nfs/dbraw/zinc/06/27/56/837062756.db2.gz	MLCJYHFXUWMBAI-YVSFHVDLSA-N	1	0	351.491	1.271	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O	ZINC001083456297	837340426	/nfs/dbraw/zinc/34/04/26/837340426.db2.gz	PCYLMUCFDWWZBM-AQNXPRMDSA-N	1	0	355.482	1.072	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)[C@H]2C)c1	ZINC000989026188	838146661	/nfs/dbraw/zinc/14/66/61/838146661.db2.gz	FORQYLKZQWVDAQ-QAPCUYQASA-N	1	0	366.465	1.411	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1C	ZINC000989066953	838265397	/nfs/dbraw/zinc/26/53/97/838265397.db2.gz	QWAXRBZZCKJCIL-DEICHXMPSA-N	1	0	372.469	1.458	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@@H]1CC(=O)N(C2CC2)C1)C(C)C	ZINC000272553791	838438501	/nfs/dbraw/zinc/43/85/01/838438501.db2.gz	FONADRUOUUOOOB-WMZOPIPTSA-N	1	0	362.518	1.995	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@@H]1C	ZINC000989188993	838629080	/nfs/dbraw/zinc/62/90/80/838629080.db2.gz	QTQQWZOSCKJODY-HLIPFELVSA-N	1	0	367.493	1.658	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(c2cc[nH+]c3ccccc32)CC1	ZINC000459465458	838712438	/nfs/dbraw/zinc/71/24/38/838712438.db2.gz	OMEHCLJKQPOLRM-OAHLLOKOSA-N	1	0	367.453	1.757	20	30		FDEDRO
N#Cc1cccc(COc2cccc(C[NH2+]C[C@@H](O)Cn3ccnn3)c2)c1	ZINC000459692519	838916189	/nfs/dbraw/zinc/91/61/89/838916189.db2.gz	HQZZWSMSPSYTSE-LJQANCHMSA-N	1	0	363.421	1.879	20	30		FDEDRO
CN(C(=O)C(=O)N1CCC(C#N)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000459917925	839079848	/nfs/dbraw/zinc/07/98/48/839079848.db2.gz	KGUPDKNSSRGXEI-SFHVURJKSA-N	1	0	354.454	1.481	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1	ZINC000459943815	839135896	/nfs/dbraw/zinc/13/58/96/839135896.db2.gz	VUZQWCKPKWMZOL-LJQANCHMSA-N	1	0	368.481	1.707	20	30		FDEDRO
Cc1nc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)c(=O)[nH]c1C	ZINC001088654778	839412071	/nfs/dbraw/zinc/41/20/71/839412071.db2.gz	YLUOMPMYLQWALB-PBHICJAKSA-N	1	0	365.437	1.651	20	30		FDEDRO
Cc1nc(N2CCC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)ccc1C#N	ZINC001059968400	839520992	/nfs/dbraw/zinc/52/09/92/839520992.db2.gz	DQEVFJFYLURRDG-JFIYKMOQSA-N	1	0	355.486	1.935	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C)C1	ZINC000989372922	839775676	/nfs/dbraw/zinc/77/56/76/839775676.db2.gz	UCFHMEASNHVJJE-OIISXLGYSA-N	1	0	371.485	1.728	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cccc(N2CCCS2(=O)=O)c1	ZINC000729809496	839920559	/nfs/dbraw/zinc/92/05/59/839920559.db2.gz	LCVOTBJIFIWLCJ-QGZVFWFLSA-N	1	0	362.451	1.481	20	30		FDEDRO
COCC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@]23C[C@H]2COC3)CCC1	ZINC001105539128	839941698	/nfs/dbraw/zinc/94/16/98/839941698.db2.gz	ALNLRGLAAHCWDF-WFXMLNOXSA-N	1	0	360.498	1.814	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2CC)CCC1	ZINC001105563301	839974140	/nfs/dbraw/zinc/97/41/40/839974140.db2.gz	JIQBJSSFQCEQPG-KURKYZTESA-N	1	0	359.514	1.923	20	30		FDEDRO
CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CCC1	ZINC001105563424	839975033	/nfs/dbraw/zinc/97/50/33/839975033.db2.gz	MRWFBXPWKTXWAU-SQNIBIBYSA-N	1	0	359.514	1.875	20	30		FDEDRO
C=CCOCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2C[C@H]2C(N)=O)CCC1	ZINC001105563456	839975274	/nfs/dbraw/zinc/97/52/74/839975274.db2.gz	NQWHQUPOWAOLQD-IXDOHACOSA-N	1	0	363.502	1.451	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3CCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105585410	839994571	/nfs/dbraw/zinc/99/45/71/839994571.db2.gz	OZFCTYYZOVOPGO-CIWUYKSXSA-N	1	0	363.502	1.055	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CSC)[C@H]2C(C)C)C[C@H]1O	ZINC001105590702	840127881	/nfs/dbraw/zinc/12/78/81/840127881.db2.gz	MLZQQMUROKHFHM-LMSBXDPUSA-N	1	0	356.532	1.518	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105593812	840307741	/nfs/dbraw/zinc/30/77/41/840307741.db2.gz	GRPLAOMVYOBHOI-FTEYMNFISA-N	1	0	359.470	1.244	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+]C3(C(=O)N4CCOCC4)CCCCC3)n2c1	ZINC000897893768	840549212	/nfs/dbraw/zinc/54/92/12/840549212.db2.gz	ZMBQRWYTLFCUIP-UHFFFAOYSA-N	1	0	367.453	1.857	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1)c1ccncc1	ZINC000842039281	840861491	/nfs/dbraw/zinc/86/14/91/840861491.db2.gz	MKJUENLRYRVYAB-SFHVURJKSA-N	1	0	356.470	1.806	20	30		FDEDRO
C=CCc1cc(C[NH2+][C@H]2CN(C(=O)OCC)C[C@@H]2CO)cc(OC)c1O	ZINC000898358229	840994133	/nfs/dbraw/zinc/99/41/33/840994133.db2.gz	CCAHKYUCZIDRMD-CVEARBPZSA-N	1	0	364.442	1.668	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC000989482828	841039440	/nfs/dbraw/zinc/03/94/40/841039440.db2.gz	ULZCPYCEXLMQTK-PBHICJAKSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105603953	841179666	/nfs/dbraw/zinc/17/96/66/841179666.db2.gz	QTMPGTNIHFZPLQ-DLVXIWMQSA-N	1	0	360.502	1.966	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cnn(C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105604348	841183747	/nfs/dbraw/zinc/18/37/47/841183747.db2.gz	TWUGTPOWGPORNF-LFGUQSLTSA-N	1	0	360.502	1.505	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCOCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105604709	841184767	/nfs/dbraw/zinc/18/47/67/841184767.db2.gz	WUDUZPQGRNCWBU-LFGUQSLTSA-N	1	0	350.503	1.793	20	30		FDEDRO
C=CCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnnn3C)C2)[C@@H]1C(C)C	ZINC001105606438	841203572	/nfs/dbraw/zinc/20/35/72/841203572.db2.gz	DJOHGUDXAQXOOZ-FPAYPSAMSA-N	1	0	361.490	1.247	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C)c1	ZINC000989805047	841475917	/nfs/dbraw/zinc/47/59/17/841475917.db2.gz	BSSQJJFCCMWHJX-QAPCUYQASA-N	1	0	368.481	1.514	20	30		FDEDRO
C=CCOCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCOCC)C2)[C@@H]1C(C)C	ZINC001105610451	841630140	/nfs/dbraw/zinc/63/01/40/841630140.db2.gz	KMFJFHVJUOBDJZ-JYBIWHBTSA-N	1	0	368.518	1.582	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCC)C2	ZINC001112247080	841637553	/nfs/dbraw/zinc/63/75/53/841637553.db2.gz	WBPSNTSPXWJKAK-PXNSSMCTSA-N	1	0	363.502	1.442	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C	ZINC000990009150	841819136	/nfs/dbraw/zinc/81/91/36/841819136.db2.gz	IQUNOLABSMSGBI-RKVPGOIHSA-N	1	0	356.470	1.670	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)C(C3CC3)C3CC3)[C@H]2C)CC1	ZINC000990311921	841999686	/nfs/dbraw/zinc/99/96/86/841999686.db2.gz	SYFZHGXRWNALSX-BEFAXECRSA-N	1	0	371.525	1.873	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C	ZINC000476856180	842183871	/nfs/dbraw/zinc/18/38/71/842183871.db2.gz	LUPAAAGJDTVUBM-CABCVRRESA-N	1	0	361.490	1.260	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncc(F)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105618718	842233215	/nfs/dbraw/zinc/23/32/15/842233215.db2.gz	AGPZHXBAFNOEBH-MLYOOKFZSA-N	1	0	359.445	1.824	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(F)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105619837	842240613	/nfs/dbraw/zinc/24/06/13/842240613.db2.gz	RSHKKEBJRWGFKB-FTEYMNFISA-N	1	0	359.445	1.824	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(F)=C(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105620013	842240972	/nfs/dbraw/zinc/24/09/72/842240972.db2.gz	VDTODODDMJVMDK-CIWUYKSXSA-N	1	0	366.477	1.866	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnnc(C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105619988	842241187	/nfs/dbraw/zinc/24/11/87/842241187.db2.gz	UYIWKMTYQFIMKM-XSYGEPLQSA-N	1	0	356.470	1.388	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nccn3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105623888	842252212	/nfs/dbraw/zinc/25/22/12/842252212.db2.gz	UQKBCHUBYBRVEF-WOCWXWTJSA-N	1	0	358.486	1.506	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nccc(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105624299	842254060	/nfs/dbraw/zinc/25/40/60/842254060.db2.gz	YSCCBISDCZEPND-VIPLHTEESA-N	1	0	358.486	1.941	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccn(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105626770	842257526	/nfs/dbraw/zinc/25/75/26/842257526.db2.gz	HJDGHDJWSIZRFZ-IZBJGVDFSA-N	1	0	360.502	1.505	20	30		FDEDRO
COCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C#CC(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105627692	842260216	/nfs/dbraw/zinc/26/02/16/842260216.db2.gz	PAFYIVOAIYKAGP-LFGUQSLTSA-N	1	0	350.503	1.648	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3nnc(C)o3)[C@H]2C(C)C)C[C@H]1O	ZINC001105628401	842261166	/nfs/dbraw/zinc/26/11/66/842261166.db2.gz	VFEYSFOOLUVOQQ-VVWQDTPRSA-N	1	0	362.474	1.463	20	30		FDEDRO
COCCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C#CC3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105628801	842262025	/nfs/dbraw/zinc/26/20/25/842262025.db2.gz	YHZYGSKNGQOECG-RMVXJAJNSA-N	1	0	362.514	1.793	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCOCC3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105631363	842264272	/nfs/dbraw/zinc/26/42/72/842264272.db2.gz	AHAOHBBXBPNMHD-UKAVVXHISA-N	1	0	362.514	1.793	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCOCC3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105631470	842264736	/nfs/dbraw/zinc/26/47/36/842264736.db2.gz	COFXSJUZDCCZKB-RMVXJAJNSA-N	1	0	362.514	1.793	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCOCC=C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105614195	842265549	/nfs/dbraw/zinc/26/55/49/842265549.db2.gz	FJPWTAIPCYKATK-VURPSTOHSA-N	1	0	362.514	1.959	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CC)C3)[C@@H]2C(C)C)CCOCC1	ZINC001105636774	842269034	/nfs/dbraw/zinc/26/90/34/842269034.db2.gz	DANRUMFFABXPJB-DCXXXQMHSA-N	1	0	362.514	1.793	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn[nH]c(=O)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637552	842271872	/nfs/dbraw/zinc/27/18/72/842271872.db2.gz	RWRFGMNOVXHHSW-LFEHRJTNSA-N	1	0	360.458	1.338	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cnc(C)o3)[C@H]2C(C)C)C[C@H]1O	ZINC001105637543	842272196	/nfs/dbraw/zinc/27/21/96/842272196.db2.gz	RTQWVGRHAGSAIT-IZBJGVDFSA-N	1	0	359.470	1.515	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH]nc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105637789	842273362	/nfs/dbraw/zinc/27/33/62/842273362.db2.gz	VRSCZZPSJPBUAW-XSYGEPLQSA-N	1	0	358.486	1.575	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3n[nH]c4c3CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637804	842273934	/nfs/dbraw/zinc/27/39/34/842273934.db2.gz	VXTFJAHMFOIIHA-VGUOSERISA-N	1	0	370.497	1.501	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)C(N)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105638090	842275119	/nfs/dbraw/zinc/27/51/19/842275119.db2.gz	ZSEILLVZFGRSMJ-BKEDOTJMSA-N	1	0	351.491	1.040	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(COCC)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105641310	842277099	/nfs/dbraw/zinc/27/70/99/842277099.db2.gz	AIAMLFAXKSVZBE-WWNBULGVSA-N	1	0	350.503	1.955	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(F)CCOCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105633585	842282370	/nfs/dbraw/zinc/28/23/70/842282370.db2.gz	VPPBUYNIJDXBGA-MTNOOBJLSA-N	1	0	366.477	1.495	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCOCCO)C2)[C@H]1C(C)C	ZINC001105633789	842283217	/nfs/dbraw/zinc/28/32/17/842283217.db2.gz	WZPFDEZFVCLYRN-HNBVOPMISA-N	1	0	368.518	1.318	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC3CCC3)C2)[C@@H]1C(C)C	ZINC001105634194	842284103	/nfs/dbraw/zinc/28/41/03/842284103.db2.gz	ZZKDGYQAGVVXMN-RMVXJAJNSA-N	1	0	362.514	1.793	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3ccon3)[C@H]2C(C)C)C[C@H]1O	ZINC001105642672	842308452	/nfs/dbraw/zinc/30/84/52/842308452.db2.gz	KYKLWAWTWYOKCY-IZBJGVDFSA-N	1	0	359.470	1.597	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccc(=O)[nH]c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105642681	842308775	/nfs/dbraw/zinc/30/87/75/842308775.db2.gz	LAIADOZIPJRQBH-JYWFKMLOSA-N	1	0	371.481	1.319	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105642898	842320982	/nfs/dbraw/zinc/32/09/82/842320982.db2.gz	OKMOSTZNQVCUTF-XSYGEPLQSA-N	1	0	358.486	1.941	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3csc(=O)[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105646270	842405527	/nfs/dbraw/zinc/40/55/27/842405527.db2.gz	IFMJAWRYHHFJGW-DRRHNWJESA-N	1	0	363.483	1.452	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(C(N)=O)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105653491	842455706	/nfs/dbraw/zinc/45/57/06/842455706.db2.gz	VXRQHSUTDBAXNR-NNFUDEMPSA-N	1	0	363.502	1.184	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3cn[nH]c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105655695	842479187	/nfs/dbraw/zinc/47/91/87/842479187.db2.gz	JYGSSFZXJTXPMK-HNBVOPMISA-N	1	0	358.486	1.332	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CCO)C3)[C@H]2C(C)C)CCC1	ZINC001105655158	842482428	/nfs/dbraw/zinc/48/24/28/842482428.db2.gz	FXOVHHQSIGQTML-WOCWXWTJSA-N	1	0	350.503	1.691	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CCCO)C3)[C@@H]2C(C)C)c1	ZINC001105656710	842488366	/nfs/dbraw/zinc/48/83/66/842488366.db2.gz	TUOHGPYPFWPALT-WERVVEIQSA-N	1	0	371.481	1.025	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C)[nH]c3=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105656876	842490352	/nfs/dbraw/zinc/49/03/52/842490352.db2.gz	USNOGEFSNXKYQI-WIRSXHRWSA-N	1	0	371.481	1.699	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3cn[nH]c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105656176	842491397	/nfs/dbraw/zinc/49/13/97/842491397.db2.gz	NLRGKHWQTSWMCJ-HNBVOPMISA-N	1	0	358.486	1.332	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3cn[nH]c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105656368	842492378	/nfs/dbraw/zinc/49/23/78/842492378.db2.gz	PDOAINHDDYNUNA-HNBVOPMISA-N	1	0	360.502	1.885	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnoc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105657618	842495410	/nfs/dbraw/zinc/49/54/10/842495410.db2.gz	ZRKYDEMNVXEAPQ-ZTRFORPCSA-N	1	0	359.470	1.840	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(C(=O)NC)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105660954	842642696	/nfs/dbraw/zinc/64/26/96/842642696.db2.gz	BCSKFOQCMSIOCG-NNFUDEMPSA-N	1	0	363.502	1.055	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ncc[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105661053	842651844	/nfs/dbraw/zinc/65/18/44/842651844.db2.gz	DABGTFMZQUGPLL-SMOSDQRPSA-N	1	0	360.502	1.885	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)nc(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105661315	842686430	/nfs/dbraw/zinc/68/64/30/842686430.db2.gz	HFGLRUXLERNWKP-WERVVEIQSA-N	1	0	370.497	1.696	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(=O)N(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105661591	842718151	/nfs/dbraw/zinc/71/81/51/842718151.db2.gz	KJSFVMVWVVGTIY-XNFNUYLZSA-N	1	0	365.518	1.397	20	30		FDEDRO
CO[C@@H]1Cc2ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc2C1	ZINC000783916970	842729567	/nfs/dbraw/zinc/72/95/67/842729567.db2.gz	LRUNJESILFWXLA-GOSISDBHSA-N	1	0	372.469	1.433	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)NC(C)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105662248	842748298	/nfs/dbraw/zinc/74/82/98/842748298.db2.gz	MUZQGMFVZMILHL-YKTARERQSA-N	1	0	351.491	1.053	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCCCN1C(=O)Cn1ccnc1	ZINC000990555706	842777843	/nfs/dbraw/zinc/77/78/43/842777843.db2.gz	RBIPLJWPHXLLRS-BBWFWOEESA-N	1	0	360.458	1.314	20	30		FDEDRO
COc1coc(C(=O)N[C@H]2CCN(Cc3cccc(C#N)c3)[C@@H]2C)cc1=O	ZINC001088747780	842792123	/nfs/dbraw/zinc/79/21/23/842792123.db2.gz	XAVFIHPINHIQPQ-CJNGLKHVSA-N	1	0	367.405	1.913	20	30		FDEDRO
COc1coc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)[C@@H]2C)cc1=O	ZINC001088747516	842795141	/nfs/dbraw/zinc/79/51/41/842795141.db2.gz	HMWCMOGIMKPWEX-CJNGLKHVSA-N	1	0	367.405	1.913	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105663120	842809990	/nfs/dbraw/zinc/80/99/90/842809990.db2.gz	RLZVWNXZCWILJH-MYZZLAAOSA-N	1	0	361.490	1.361	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3ncccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105663422	842810602	/nfs/dbraw/zinc/81/06/02/842810602.db2.gz	SUASZCAOANVAHY-JYWFKMLOSA-N	1	0	370.497	1.399	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3ncccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105663419	842810715	/nfs/dbraw/zinc/81/07/15/842810715.db2.gz	SUASZCAOANVAHY-DGQTTZFYSA-N	1	0	370.497	1.399	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncccc3F)[C@@H]2C(C)C)C[C@H]1O	ZINC001105664200	842886348	/nfs/dbraw/zinc/88/63/48/842886348.db2.gz	XABWZJWYJRJNEC-CIWUYKSXSA-N	1	0	359.445	1.824	20	30		FDEDRO
C=C(C)Cn1c(CCCC)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000460925917	842901790	/nfs/dbraw/zinc/90/17/90/842901790.db2.gz	JDNPSNMRHAGPJD-QGZVFWFLSA-N	1	0	374.533	1.940	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH]nc3C3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105665589	843005008	/nfs/dbraw/zinc/00/50/08/843005008.db2.gz	ABSGDOLHOIEDSX-REHHDOPLSA-N	1	0	370.497	1.890	20	30		FDEDRO
N#C[C@H]1CCC[C@H]1NC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000461972150	843267087	/nfs/dbraw/zinc/26/70/87/843267087.db2.gz	YYDCLKUDTZBFFT-IAGOWNOFSA-N	1	0	371.489	1.370	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH]c(C)cc3=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105666956	843368072	/nfs/dbraw/zinc/36/80/72/843368072.db2.gz	LXGKBVLAXBMSLU-RBAQFSTRSA-N	1	0	371.481	1.286	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCCC(N)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667773	843691047	/nfs/dbraw/zinc/69/10/47/843691047.db2.gz	SWOOGMAHBGUDPP-XNFNUYLZSA-N	1	0	365.518	1.574	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCCC(N)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105668063	843753790	/nfs/dbraw/zinc/75/37/90/843753790.db2.gz	WAWVJSMBWXDRCC-YAJHFMINSA-N	1	0	363.502	1.022	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccn(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105668087	843754638	/nfs/dbraw/zinc/75/46/38/843754638.db2.gz	HJEAQIVWMVQCJB-SOAMZJECSA-N	1	0	360.502	1.966	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)N[C@@H](C)C[NH+](C)C)c(C#N)cn1CCOC	ZINC000480078458	844751291	/nfs/dbraw/zinc/75/12/91/844751291.db2.gz	WIQRMLXZQFLDLY-LBPRGKRZSA-N	1	0	365.434	1.254	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@@H]1O	ZINC001083505497	844920787	/nfs/dbraw/zinc/92/07/87/844920787.db2.gz	QJTHFMQSTVZGTM-IKGGRYGDSA-N	1	0	362.499	1.155	20	30		FDEDRO
N#CCOc1ccc(CC(=O)NC2CC[NH+](C3CCOCC3)CC2)cc1	ZINC000898632854	844967490	/nfs/dbraw/zinc/96/74/90/844967490.db2.gz	RWOGAQPAYVVRPC-UHFFFAOYSA-N	1	0	357.454	1.891	20	30		FDEDRO
C=CCCn1cc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)nn1	ZINC000898721252	845076323	/nfs/dbraw/zinc/07/63/23/845076323.db2.gz	RKURPAFTCWTVQR-NSHDSACASA-N	1	0	351.252	1.918	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCC(N)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105674189	845461267	/nfs/dbraw/zinc/46/12/67/845461267.db2.gz	TZQFMDZWKSANHA-YKCBXCCJSA-N	1	0	365.518	1.574	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCC(N)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105674490	845495951	/nfs/dbraw/zinc/49/59/51/845495951.db2.gz	YAMVUGAYENTHNM-VVWQDTPRSA-N	1	0	351.491	1.184	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)CCC[NH+]2CCCC2)C[C@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001105674948	845614336	/nfs/dbraw/zinc/61/43/36/845614336.db2.gz	JVVVNZQOIGORQU-JYBIWHBTSA-N	1	0	362.518	1.352	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncnc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105675709	845742462	/nfs/dbraw/zinc/74/24/62/845742462.db2.gz	RAVCSHQKIVLXMQ-ANTGDGSKSA-N	1	0	370.497	1.642	20	30		FDEDRO
CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@](O)(CC#N)C2)[NH+](C)C)cc1	ZINC000899097956	845759256	/nfs/dbraw/zinc/75/92/56/845759256.db2.gz	JLKQMCKAEJOSEU-IEBWSBKVSA-N	1	0	359.474	1.415	20	30		FDEDRO
CON=C(C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1)c1csc(N)n1	ZINC000899204642	845934222	/nfs/dbraw/zinc/93/42/22/845934222.db2.gz	DQCSHCJRSKCUJP-LLVKDONJSA-N	1	0	360.443	1.208	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)CC1	ZINC000899224482	845969536	/nfs/dbraw/zinc/96/95/36/845969536.db2.gz	QIZNNTBHBIYGDB-UHFFFAOYSA-N	1	0	370.453	1.294	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CN(Cc2ccnc(N(C)C)c2)C[C@@H]1O	ZINC001083525888	846374060	/nfs/dbraw/zinc/37/40/60/846374060.db2.gz	QNZLWJYICFEOHC-AEFFLSMTSA-N	1	0	369.469	1.110	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1	ZINC000481612641	846710816	/nfs/dbraw/zinc/71/08/16/846710816.db2.gz	SQTSHHJETFPOHB-CQSZACIVSA-N	1	0	363.433	1.595	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)c(C)c2)C[C@@H]1O	ZINC001083535678	846921887	/nfs/dbraw/zinc/92/18/87/846921887.db2.gz	FQYOXWRCIYRHFV-AABGKKOBSA-N	1	0	355.482	1.062	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCN(CC)C4=O)C[C@H]32)cc1	ZINC001076119716	847315578	/nfs/dbraw/zinc/31/55/78/847315578.db2.gz	SRPJHIVMZWGEKZ-GBESFXJTSA-N	1	0	351.450	1.435	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccn(C)c4CC)[C@@H]3C2)C1=O	ZINC001076242634	847665559	/nfs/dbraw/zinc/66/55/59/847665559.db2.gz	MANFMFYIOGVSKV-KFKAGJAMSA-N	1	0	370.497	1.521	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(Cc3cn(CC4CC4)nn3)C[C@H]21	ZINC001076262412	847717289	/nfs/dbraw/zinc/71/72/89/847717289.db2.gz	AZFMDQAYCAWFQD-AITUJVMLSA-N	1	0	371.485	1.312	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cn(CC)nc4C)[C@@H]3C2)C1=O	ZINC001076304195	847789174	/nfs/dbraw/zinc/78/91/74/847789174.db2.gz	BDIGHZJVPPCDTG-RYQLBKOJSA-N	1	0	371.485	1.145	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3C[N@H+](CCc4cccs4)C[C@H]32)nn1	ZINC001076336305	847883334	/nfs/dbraw/zinc/88/33/34/847883334.db2.gz	ROJLKCOHJVNGGR-WMLDXEAASA-N	1	0	357.483	1.915	20	30		FDEDRO
Cn1ncc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(OCC#N)cc4)C[C@H]32)n1	ZINC001076358524	847971553	/nfs/dbraw/zinc/97/15/53/847971553.db2.gz	GJWCZPRUUGDQOC-MAUKXSAKSA-N	1	0	366.425	1.064	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCCS(=O)(=O)C3)[C@@H]2C1	ZINC001076438464	848138852	/nfs/dbraw/zinc/13/88/52/848138852.db2.gz	BPALYRVGKWXJTJ-IXDOHACOSA-N	1	0	354.516	1.700	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cnn(C(C)C)c4)[C@@H]3C2)C1=O	ZINC001076451930	848162899	/nfs/dbraw/zinc/16/28/99/848162899.db2.gz	TZIZQVPVJBGEJY-CGTJXYLNSA-N	1	0	371.485	1.397	20	30		FDEDRO
CN1C[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)CCC1=O	ZINC001076609493	848563190	/nfs/dbraw/zinc/56/31/90/848563190.db2.gz	NLRFSPDIRGQGCE-IPMKNSEASA-N	1	0	366.465	1.459	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)C[NH+](CC)CC	ZINC001076629670	848600424	/nfs/dbraw/zinc/60/04/24/848600424.db2.gz	RHAAFVLJQFAANL-BQFCYCMXSA-N	1	0	353.507	1.711	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1	ZINC001076738234	848906990	/nfs/dbraw/zinc/90/69/90/848906990.db2.gz	UJMRZILUIASUQX-BBWFWOEESA-N	1	0	365.518	1.853	20	30		FDEDRO
CC#CCCNC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000483041545	849178883	/nfs/dbraw/zinc/17/88/83/849178883.db2.gz	NWXASTBMMZYVRL-SFHVURJKSA-N	1	0	356.470	1.597	20	30		FDEDRO
COc1ccccc1CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1	ZINC001076898334	849282680	/nfs/dbraw/zinc/28/26/80/849282680.db2.gz	DHNIBGRYCCYKRQ-QZTJIDSGSA-N	1	0	368.437	1.303	20	30		FDEDRO
COc1cccc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)c1	ZINC001076906019	849300149	/nfs/dbraw/zinc/30/01/49/849300149.db2.gz	KDBYQOHUKKSLHY-RTBURBONSA-N	1	0	368.437	1.303	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cc(OC)ccc2OC)C1	ZINC001076988639	849484388	/nfs/dbraw/zinc/48/43/88/849484388.db2.gz	KQJLFLNCZIFGMT-JCHJZTRSSA-N	1	0	374.481	1.935	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1O	ZINC001077016383	849567278	/nfs/dbraw/zinc/56/72/78/849567278.db2.gz	LWNLNRPVHOUNMW-AFYVEPGGSA-N	1	0	369.465	1.810	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCC(C)(C)CC2)C[C@H]1O	ZINC001077159116	849955493	/nfs/dbraw/zinc/95/54/93/849955493.db2.gz	PGAXCYGACJHEQQ-CEXWTWQISA-N	1	0	361.530	1.462	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1O	ZINC001077280561	850381879	/nfs/dbraw/zinc/38/18/79/850381879.db2.gz	DAVUPBYCAAXIQG-VAMGGRTRSA-N	1	0	370.497	1.340	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@@H]2O)cc1	ZINC001083577631	850912888	/nfs/dbraw/zinc/91/28/88/850912888.db2.gz	BZSOIBQZGHBBAS-QRVBRYPASA-N	1	0	360.454	1.595	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1O	ZINC001083578729	850967619	/nfs/dbraw/zinc/96/76/19/850967619.db2.gz	ZXHZSNNEOQYOML-MSOLQXFVSA-N	1	0	370.453	1.003	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O	ZINC000904186079	851005349	/nfs/dbraw/zinc/00/53/49/851005349.db2.gz	PQYSGSWBMGWSDY-HNNXBMFYSA-N	1	0	359.426	1.763	20	30		FDEDRO
COC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1	ZINC000904416474	851207700	/nfs/dbraw/zinc/20/77/00/851207700.db2.gz	NIHKHAQDRRRJRU-AWEZNQCLSA-N	1	0	374.832	1.849	20	30		FDEDRO
COC[C@H]1C[NH2+]CCN1C(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F	ZINC000904537750	851282420	/nfs/dbraw/zinc/28/24/20/851282420.db2.gz	JFOOBGIQRPIMPN-KGLIPLIRSA-N	1	0	356.348	1.791	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(-c2nc(CC3CC[NH2+]CC3)no2)cc1	ZINC000905318427	851828781	/nfs/dbraw/zinc/82/87/81/851828781.db2.gz	ZAPGUEIXRKPXNE-UHFFFAOYSA-N	1	0	360.439	1.190	20	30		FDEDRO
CO[C@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)NCC#CC[NH+](C)C)C1	ZINC000913524202	862289258	/nfs/dbraw/zinc/28/92/58/862289258.db2.gz	CZYCVLOPLUZXJN-KDOFPFPSSA-N	1	0	353.463	1.082	20	30		FDEDRO
Cc1nnc(SCC(=O)NCC#CC[NH+](C)C)n1Cc1ccccc1	ZINC000913515418	862294921	/nfs/dbraw/zinc/29/49/21/862294921.db2.gz	WYVAXIOSXXKBHB-UHFFFAOYSA-N	1	0	357.483	1.408	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1ccccc1SCC(=O)N1CCCC1	ZINC000913515166	862295654	/nfs/dbraw/zinc/29/56/54/862295654.db2.gz	LPIKAFLIOUSDAS-UHFFFAOYSA-N	1	0	359.495	1.696	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1	ZINC000913515507	862295813	/nfs/dbraw/zinc/29/58/13/862295813.db2.gz	ZJSYRSXXMBBDCX-KHPPLWFESA-N	1	0	353.466	1.620	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@H](Cc1cccnc1)NC(=O)c1ccccc1	ZINC000913518736	862302221	/nfs/dbraw/zinc/30/22/21/862302221.db2.gz	ZGXKOFWTECREGO-IBGZPJMESA-N	1	0	364.449	1.104	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)COc1ccc(C=O)cc1Br	ZINC000913519210	862304083	/nfs/dbraw/zinc/30/40/83/862304083.db2.gz	RYYBFCAPOLMFOL-UHFFFAOYSA-N	1	0	353.216	1.322	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@H]1CCCN(c2ncnc3sccc32)C1	ZINC000913519191	862305065	/nfs/dbraw/zinc/30/50/65/862305065.db2.gz	RKFXNWFGCMKGDC-AWEZNQCLSA-N	1	0	357.483	1.589	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl	ZINC000913519594	862305398	/nfs/dbraw/zinc/30/53/98/862305398.db2.gz	GTHWRFYYRQNJAQ-UHFFFAOYSA-N	1	0	369.874	1.029	20	30		FDEDRO
CN1CC[N@H+](C)CC(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)C1	ZINC000905897917	852379337	/nfs/dbraw/zinc/37/93/37/852379337.db2.gz	GUHANDCPFKAJRZ-HNNXBMFYSA-N	1	0	365.275	1.623	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C)n2ncnc21)C(C)C	ZINC000668532048	852722063	/nfs/dbraw/zinc/72/20/63/852722063.db2.gz	RXUUPRNBZNSYNB-OWCLPIDISA-N	1	0	374.489	1.215	20	30		FDEDRO
N#C[C@@]1(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC2CCC1CC2	ZINC000906713718	853203580	/nfs/dbraw/zinc/20/35/80/853203580.db2.gz	FYYFOPBPNBCUCB-BZWMRVRASA-N	1	0	360.502	1.229	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2	ZINC000906717788	853211190	/nfs/dbraw/zinc/21/11/90/853211190.db2.gz	QOAIRVLGLMBMNP-QVHKTLOISA-N	1	0	358.467	1.886	20	30		FDEDRO
C[NH+](C)CCN(CCc1ccccc1)S(=O)(=O)c1ccc(C#N)cn1	ZINC000906842951	853389642	/nfs/dbraw/zinc/38/96/42/853389642.db2.gz	IWNVXSUWEDAIFJ-UHFFFAOYSA-N	1	0	358.467	1.748	20	30		FDEDRO
C=CCc1cc(C[N@@H+]2CCC[C@@H](N3CCNCC3=O)C2)cc(OC)c1O	ZINC000486018209	853400143	/nfs/dbraw/zinc/40/01/43/853400143.db2.gz	MHVUACGPEIMKCX-QGZVFWFLSA-N	1	0	359.470	1.526	20	30		FDEDRO
C[NH+](C)[C@H]1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)C1	ZINC000906914502	853499589	/nfs/dbraw/zinc/49/95/89/853499589.db2.gz	ROBDEIUUJWURIW-NSHDSACASA-N	1	0	358.261	1.645	20	30		FDEDRO
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2ccc(Br)c(C#N)c2)C1	ZINC000907268326	853971692	/nfs/dbraw/zinc/97/16/92/853971692.db2.gz	WCNHKGWJMFNWDK-KLPPZKSPSA-N	1	0	372.288	1.939	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1	ZINC000907249321	853985061	/nfs/dbraw/zinc/98/50/61/853985061.db2.gz	AEMZZDKHAQNLOM-UHFFFAOYSA-N	1	0	363.483	1.098	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)c1C#N	ZINC000907663662	854481319	/nfs/dbraw/zinc/48/13/19/854481319.db2.gz	KVDNSPIBRFIKFZ-UHFFFAOYSA-N	1	0	358.490	1.513	20	30		FDEDRO
C[C@@H]1[C@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCC[N@@H+]1C	ZINC000486505133	854738164	/nfs/dbraw/zinc/73/81/64/854738164.db2.gz	DWNBUSLGQYSIKA-ZTFGCOKTSA-N	1	0	369.469	1.441	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCC[N@@H+]1CCC(C)(C)C1	ZINC000908083773	854962159	/nfs/dbraw/zinc/96/21/59/854962159.db2.gz	WXKOAMSOPRUMBM-UHFFFAOYSA-N	1	0	365.455	1.355	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1	ZINC000668652664	855057493	/nfs/dbraw/zinc/05/74/93/855057493.db2.gz	AKOURWQURWMBLV-SJLPKXTDSA-N	1	0	359.470	1.647	20	30		FDEDRO
CN(C)c1ccc([C@H](CNS(=O)(=O)CC2(CC#N)CC2)[NH+](C)C)cc1	ZINC000908460649	855446690	/nfs/dbraw/zinc/44/66/90/855446690.db2.gz	WTUVZSVLYJUFII-KRWDZBQOSA-N	1	0	364.515	1.969	20	30		FDEDRO
C=CCn1c(-c2ccc(=O)n(C)c2)nnc1N1CCC([NH2+]C(C)C)CC1	ZINC000908739964	855737123	/nfs/dbraw/zinc/73/71/23/855737123.db2.gz	GKSAFFSEFUFSSI-UHFFFAOYSA-N	1	0	356.474	1.797	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088839598	855923499	/nfs/dbraw/zinc/92/34/99/855923499.db2.gz	UALINWCNDBPBCX-LIVBEALHSA-N	1	0	370.453	1.337	20	30		FDEDRO
C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	ZINC000909230325	856333088	/nfs/dbraw/zinc/33/30/88/856333088.db2.gz	WFDJOBJDZNYCBZ-BEFAXECRSA-N	1	0	358.490	1.478	20	30		FDEDRO
N#CC[C@@H](CC(=O)NCC(=O)NCC[NH+]1CCCCC1)c1ccccc1	ZINC000909316673	856398588	/nfs/dbraw/zinc/39/85/88/856398588.db2.gz	LXUQTXGDHLREDL-SFHVURJKSA-N	1	0	356.470	1.792	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[N@@H+](CC)C[C@H]2C)c1	ZINC000910292220	857068264	/nfs/dbraw/zinc/06/82/64/857068264.db2.gz	IFTNJDHZVYAJIC-OAHLLOKOSA-N	1	0	363.483	1.154	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1	ZINC000488149225	857235077	/nfs/dbraw/zinc/23/50/77/857235077.db2.gz	SSXBMACECHNITC-QGZVFWFLSA-N	1	0	364.534	1.333	20	30		FDEDRO
N#Cc1ccc(N(C(=O)C(=O)N2CC[C@@H](C3CC3)C2)[C@H]2CCC[NH2+]C2)nc1	ZINC000910858740	857789108	/nfs/dbraw/zinc/78/91/08/857789108.db2.gz	UFFMONVXHLBJGX-SJORKVTESA-N	1	0	367.453	1.297	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CC[C@@H](c2ccccc2)C1)C1CC[NH+](C)CC1	ZINC000910886829	857840221	/nfs/dbraw/zinc/84/02/21/857840221.db2.gz	WPJRXSMJNQWTOI-GOSISDBHSA-N	1	0	353.466	1.559	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(C(C)(C)C[NH3+])CC1	ZINC000910952134	857923013	/nfs/dbraw/zinc/92/30/13/857923013.db2.gz	HTYLGCGKFCYVNG-ZBFHGGJFSA-N	1	0	351.491	1.307	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc1C#N	ZINC000911432708	858614604	/nfs/dbraw/zinc/61/46/04/858614604.db2.gz	QESGMWOEYPXISO-SFHVURJKSA-N	1	0	368.481	1.721	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)C[C@@H](C)N1CC#N	ZINC000911705082	858936085	/nfs/dbraw/zinc/93/60/85/858936085.db2.gz	ANYPJGNXVDIMCJ-QZTJIDSGSA-N	1	0	370.501	1.038	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@H](C)N1CC#N	ZINC000911707775	858938190	/nfs/dbraw/zinc/93/81/90/858938190.db2.gz	MFFAIOTWDMSOJI-QKLQHJQFSA-N	1	0	356.470	1.068	20	30		FDEDRO
C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC[C@@H]2C1	ZINC000946693581	881380658	/nfs/dbraw/zinc/38/06/58/881380658.db2.gz	AQLOBBOKLVSJSY-FLXSYLCISA-N	1	0	368.905	1.961	20	30		FDEDRO
C=CCCC[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000911984921	859209516	/nfs/dbraw/zinc/20/95/16/859209516.db2.gz	XUPFAYXZAOAFEM-INIZCTEOSA-N	1	0	369.462	1.342	20	30		FDEDRO
CN(CC[N@H+](C)CCO)C(=O)c1cnn(CCC#N)c1-c1ccccc1	ZINC000912603792	859944758	/nfs/dbraw/zinc/94/47/58/859944758.db2.gz	CWQRLAKANYESIO-UHFFFAOYSA-N	1	0	355.442	1.460	20	30		FDEDRO
C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000912811252	860275346	/nfs/dbraw/zinc/27/53/46/860275346.db2.gz	HBIKHOLXTORLNJ-FXDIGPMBSA-N	1	0	362.474	1.482	20	30		FDEDRO
C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000912811253	860275684	/nfs/dbraw/zinc/27/56/84/860275684.db2.gz	HBIKHOLXTORLNJ-NOJWBWKLSA-N	1	0	362.474	1.482	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1C[C@@H]2COC[C@@]2(C)C1	ZINC000669032871	860835963	/nfs/dbraw/zinc/83/59/63/860835963.db2.gz	XYCIZRBPICHJJO-OAFZBRQQSA-N	1	0	359.474	1.473	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)CCOCC1CC1	ZINC000669034645	860852542	/nfs/dbraw/zinc/85/25/42/860852542.db2.gz	ULEPWSZKRHUWBF-SJORKVTESA-N	1	0	361.490	1.863	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@@H](COCC)C1	ZINC000669033892	860865639	/nfs/dbraw/zinc/86/56/39/860865639.db2.gz	BQNZWRPAIOOEHF-ZACQAIPSSA-N	1	0	361.490	1.863	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nn2cnc3sc4c(c3c2=O)CCCC4)CC1	ZINC000057128101	863083009	/nfs/dbraw/zinc/08/30/09/863083009.db2.gz	GTZGSPMQSXPOMB-UHFFFAOYSA-N	1	0	370.478	1.752	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1C[C@@H](NC(=O)c2coc(C)c2)[C@H](OC)C1	ZINC001212165626	863235767	/nfs/dbraw/zinc/23/57/67/863235767.db2.gz	GDZVRZWYGFZDGF-IAGOWNOFSA-N	1	0	363.458	1.442	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC(C)(C)C)C[C@H]1C	ZINC001105827963	863380961	/nfs/dbraw/zinc/38/09/61/863380961.db2.gz	ZXFDJOAOXZEMBP-RBSFLKMASA-N	1	0	366.506	1.507	20	30		FDEDRO
CC(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#Cc2ccccc2)[C@H](C)C1	ZINC001105836668	863431519	/nfs/dbraw/zinc/43/15/19/863431519.db2.gz	VJPGKEVZISADTA-IEBWSBKVSA-N	1	0	355.482	1.494	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C)C(=O)N1CCCCC1	ZINC001105848504	863493749	/nfs/dbraw/zinc/49/37/49/863493749.db2.gz	ZPKGENSTHLJNRM-OWCLPIDISA-N	1	0	366.531	1.328	20	30		FDEDRO
CCCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C	ZINC001105849093	863496010	/nfs/dbraw/zinc/49/60/10/863496010.db2.gz	FEDURSZJFVEQNQ-ZIAGYGMSSA-N	1	0	350.492	1.129	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)cc1	ZINC000916487536	881686867	/nfs/dbraw/zinc/68/68/67/881686867.db2.gz	KFALQGAYXKXFLO-DLBZAZTESA-N	1	0	360.483	1.968	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)COC(C)C)C[C@H]1C	ZINC001105901245	863803418	/nfs/dbraw/zinc/80/34/18/863803418.db2.gz	MDLQWHCJKADNOK-IAGOWNOFSA-N	1	0	353.507	1.520	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cc3n(n2)CCC3)[C@H](C)C1	ZINC001105909635	863915026	/nfs/dbraw/zinc/91/50/26/863915026.db2.gz	JNNYNFOBSAQIOM-IXDOHACOSA-N	1	0	360.502	1.995	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(CC)n2C)[C@H](C)C1	ZINC001105912775	863944198	/nfs/dbraw/zinc/94/41/98/863944198.db2.gz	MTRLMOSRNOOBOG-OWCLPIDISA-N	1	0	363.506	1.543	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nc(N(C)C)no2)[C@H](C)C1	ZINC001105912990	863950055	/nfs/dbraw/zinc/95/00/55/863950055.db2.gz	QWXAPVCSRFFBQK-QLFBSQMISA-N	1	0	365.478	1.301	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(CC)o2)[C@H](C)C1	ZINC001105914773	863967157	/nfs/dbraw/zinc/96/71/57/863967157.db2.gz	FAFNIJATYGQWKK-RBSFLKMASA-N	1	0	350.463	1.797	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2nc([C@H](C)OCC)no2)[C@H](C)C1	ZINC001105942071	864157050	/nfs/dbraw/zinc/15/70/50/864157050.db2.gz	XDALLUGCQIIIKG-QLFBSQMISA-N	1	0	366.462	1.554	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccc(F)cc2F)[C@H](C)C1	ZINC001105946725	864191765	/nfs/dbraw/zinc/19/17/65/864191765.db2.gz	ZXGLNIGCUCKMGI-YNEHKIRRSA-N	1	0	364.396	1.747	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)Cc2ccsc2)[C@H](C)C1	ZINC001105952122	864211888	/nfs/dbraw/zinc/21/18/88/864211888.db2.gz	RDWQKUKPNZUFBB-IIAWOOMASA-N	1	0	362.499	1.550	20	30		FDEDRO
Cc1cccc(CNC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)c1	ZINC001105952500	864212914	/nfs/dbraw/zinc/21/29/14/864212914.db2.gz	ZTBQDIAFVXTBDE-LZLYRXPVSA-N	1	0	356.470	1.455	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)COCCCC)C[C@H]2C)C1=O	ZINC001105972807	864285492	/nfs/dbraw/zinc/28/54/92/864285492.db2.gz	FMEOTXKUKOOFMI-ZACQAIPSSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@H](C)C2CC2)[C@H](C)C1	ZINC001105984241	864340225	/nfs/dbraw/zinc/34/02/25/864340225.db2.gz	BNYHECNCQYGRCT-JFIYKMOQSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCC)[C@H](C)C1	ZINC001105987355	864363386	/nfs/dbraw/zinc/36/33/86/864363386.db2.gz	DZKKSOOWQTXUOJ-IAGOWNOFSA-N	1	0	353.507	1.570	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCCC2)[C@H](C)C1	ZINC001105987767	864365467	/nfs/dbraw/zinc/36/54/67/864365467.db2.gz	PWYJTGDVCZNKKF-IAGOWNOFSA-N	1	0	365.518	1.712	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CC(F)F)[C@H](C)C1	ZINC001106025667	864814587	/nfs/dbraw/zinc/81/45/87/864814587.db2.gz	BRSLQZZXJZUTGN-HUUCEWRRSA-N	1	0	367.444	1.921	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2c(C)cc(C)cc2C)[C@H](C)C1	ZINC001106028982	864875939	/nfs/dbraw/zinc/87/59/39/864875939.db2.gz	CPPCHKBAYMHPCC-RTBURBONSA-N	1	0	369.509	1.935	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C)C(=O)NC(C)(C)C	ZINC001106029529	864884847	/nfs/dbraw/zinc/88/48/47/864884847.db2.gz	WHTZAHTVOVRBFF-UMVBOHGHSA-N	1	0	359.474	1.487	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1CN(CC(=O)NCCC(C)(C)C)C[C@H]1OC	ZINC001212187532	864940526	/nfs/dbraw/zinc/94/05/26/864940526.db2.gz	XOFAHCKSVOQMCJ-HZPDHXFCSA-N	1	0	351.491	1.158	20	30		FDEDRO
COc1ccc(C#N)cc1CN1CC[C@H](NC(=O)Cn2ccc(C)n2)[C@H]1C	ZINC001088866394	864951473	/nfs/dbraw/zinc/95/14/73/864951473.db2.gz	OZGZHJYPZRYWHF-QAPCUYQASA-N	1	0	367.453	1.851	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2nccn3ccnc23)CCN1Cc1ccccc1C#N	ZINC001088866608	864966380	/nfs/dbraw/zinc/96/63/80/864966380.db2.gz	AIJCXOJFHJZJJS-PBHICJAKSA-N	1	0	360.421	1.994	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)Cc2ccco2)[C@H](C)C1	ZINC001106057206	865054557	/nfs/dbraw/zinc/05/45/57/865054557.db2.gz	XMMZIMAWIIBCNN-IAGOWNOFSA-N	1	0	359.470	1.726	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)n2CCC)[C@H](C)C1	ZINC001106059570	865071019	/nfs/dbraw/zinc/07/10/19/865071019.db2.gz	YAKXYVHACCOMSU-IDHHARJASA-N	1	0	363.506	1.508	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nc(C(C)(C)C)no2)[C@H](C)C1	ZINC001106058613	865071756	/nfs/dbraw/zinc/07/17/56/865071756.db2.gz	GRCSZKHQUWHAHK-PJIJBLCYSA-N	1	0	364.490	1.878	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc3c(c2)nnn3C)[C@H](C)C1	ZINC001106059646	865074558	/nfs/dbraw/zinc/07/45/58/865074558.db2.gz	ZKMDMKWWMVWFGZ-AKCHCHLHSA-N	1	0	371.485	1.480	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)Nc2ncccn2)[C@H](C)C1	ZINC001106065133	865105587	/nfs/dbraw/zinc/10/55/87/865105587.db2.gz	QREPYSZJIREZNY-BZUAXINKSA-N	1	0	357.458	1.291	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]CCCS(=O)(=O)C(C)C)[C@H](C)C1	ZINC001106065732	865118467	/nfs/dbraw/zinc/11/84/67/865118467.db2.gz	GDONFFXYUQTUOR-IAGOWNOFSA-N	1	0	356.532	1.687	20	30		FDEDRO
COc1ccnc(C(=N)Nc2ncc(OCC3CC[NH+](C)CC3)cn2)n1	ZINC001168419394	865274451	/nfs/dbraw/zinc/27/44/51/865274451.db2.gz	XNIOPRMGTYPPPB-UHFFFAOYSA-N	1	0	357.418	1.033	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](C[C@@H](O)Cc3ccccc3)[C@@H]2C)nn1	ZINC001088907425	865374342	/nfs/dbraw/zinc/37/43/42/865374342.db2.gz	SHEMHVKRDOXZHD-NJAFHUGGSA-N	1	0	369.469	1.260	20	30		FDEDRO
COc1ccnc(C(=N)Nc2ccc([C@]34CC[NH2+][C@@H]3COCC4)cc2)n1	ZINC001168421832	865696357	/nfs/dbraw/zinc/69/63/57/865696357.db2.gz	AVGWSEHKFCQAHU-DNVCBOLYSA-N	1	0	353.426	1.542	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCCCC(F)(F)F)C[C@H]1OC	ZINC001212193254	865941710	/nfs/dbraw/zinc/94/17/10/865941710.db2.gz	BWVWQEPMXGNHKA-NFAWXSAZSA-N	1	0	352.397	1.862	20	30		FDEDRO
CC[NH+](CC)[C@H]1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C1	ZINC000173463941	865973930	/nfs/dbraw/zinc/97/39/30/865973930.db2.gz	SZQMWUJXVHYUEW-SFHVURJKSA-N	1	0	369.469	1.696	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCc2ccc(OC)cc2)C[C@H]1OC	ZINC001212193668	866001608	/nfs/dbraw/zinc/00/16/08/866001608.db2.gz	HTIGNMNJDKBSAW-GGPKGHCWSA-N	1	0	362.470	1.380	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](C[C@@H]2CCc3ncnn32)[C@@H]1C	ZINC001089006501	866012153	/nfs/dbraw/zinc/01/21/53/866012153.db2.gz	IKQFLWHPQWKXSM-MNEFBYGVSA-N	1	0	363.465	1.568	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1OC	ZINC001212193984	866044466	/nfs/dbraw/zinc/04/44/66/866044466.db2.gz	LXMIRTSAGDZSJI-QWFCFKBJSA-N	1	0	357.454	1.810	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3cccc(F)c3)[C@H]2C)C1=O	ZINC001089022738	866117072	/nfs/dbraw/zinc/11/70/72/866117072.db2.gz	LDXWXOVWZNKBLK-JLSDUUJJSA-N	1	0	359.445	1.734	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2C)c1	ZINC001089039045	866216580	/nfs/dbraw/zinc/21/65/80/866216580.db2.gz	UTVVPVIYKMVEFS-SUMDDJOVSA-N	1	0	368.481	1.137	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3nnc(C4CC4)[nH]3)[C@@H]2C)CC1	ZINC001089059251	866383863	/nfs/dbraw/zinc/38/38/63/866383863.db2.gz	GCTIYAXAUODACC-PBHICJAKSA-N	1	0	370.501	1.106	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3cc(OC)ccn3)[C@@H]2C)CC1	ZINC001089060046	866391092	/nfs/dbraw/zinc/39/10/92/866391092.db2.gz	POWWVDNOHMBBEY-UZLBHIALSA-N	1	0	370.497	1.514	20	30		FDEDRO
Cc1cc(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)ncc1C#N	ZINC000457450935	867497416	/nfs/dbraw/zinc/49/74/16/867497416.db2.gz	GIZHDXJXYDVOMS-UHFFFAOYSA-N	1	0	350.426	1.339	20	30		FDEDRO
C=CC(C)(C)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001061616125	882090597	/nfs/dbraw/zinc/09/05/97/882090597.db2.gz	CFCPSTGAFVFAEL-OWCLPIDISA-N	1	0	351.491	1.273	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2sccc2F)C[C@H]1C	ZINC001106085466	867685925	/nfs/dbraw/zinc/68/59/25/867685925.db2.gz	GTRPVWGHYSVXAY-FRRDWIJNSA-N	1	0	353.463	1.876	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1	ZINC000992074909	867701262	/nfs/dbraw/zinc/70/12/62/867701262.db2.gz	RHCNNNARHLQMBZ-SQNIBIBYSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1	ZINC000669816969	867760724	/nfs/dbraw/zinc/76/07/24/867760724.db2.gz	OGWDGIKAECIVOX-MRXNPFEDSA-N	1	0	358.490	1.765	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC2CC(CNC(=O)[C@@H]3C[C@H]3C3CCC3)C2)CC1	ZINC000992145345	868019949	/nfs/dbraw/zinc/01/99/49/868019949.db2.gz	UPPCAEVTTNOMQY-OSXBXZONSA-N	1	0	371.525	1.779	20	30		FDEDRO
Cc1nnc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2C)s1	ZINC001106099201	868057101	/nfs/dbraw/zinc/05/71/01/868057101.db2.gz	CFOBDHMOZSCURT-TZMCWYRMSA-N	1	0	363.487	1.129	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]CC2(CS(C)(=O)=O)CC2)[C@H](C)C1	ZINC001106099920	868066809	/nfs/dbraw/zinc/06/68/09/868066809.db2.gz	SLWMLBKLPKTOHY-HZPDHXFCSA-N	1	0	354.516	1.155	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C	ZINC001106105997	868163516	/nfs/dbraw/zinc/16/35/16/868163516.db2.gz	CQDQLGIIJRNMRJ-ZHALLVOQSA-N	1	0	359.514	1.897	20	30		FDEDRO
C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)C1CCN(S(C)(=O)=O)CC1	ZINC000925366491	882169595	/nfs/dbraw/zinc/16/95/95/882169595.db2.gz	FYWLARLTAMJOMJ-CQSZACIVSA-N	1	0	351.472	1.739	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C)C(=O)Nc1ncccn1	ZINC001106109166	868295384	/nfs/dbraw/zinc/29/53/84/868295384.db2.gz	DZRVDOAXMSUUHH-BZUAXINKSA-N	1	0	371.485	1.537	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C[NH2+]CCNC(=O)NC(C)(C)C	ZINC001106109027	868298953	/nfs/dbraw/zinc/29/89/53/868298953.db2.gz	AURHQUDDBITRQR-HZPDHXFCSA-N	1	0	364.534	1.818	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccc(F)cc2)[C@H](C)C1	ZINC001106111023	868379504	/nfs/dbraw/zinc/37/95/04/868379504.db2.gz	GDFBQHFKENWPFQ-ZIFCJYIRSA-N	1	0	356.441	1.900	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C(C)C)n2C)[C@H](C)C1	ZINC001106111257	868388574	/nfs/dbraw/zinc/38/85/74/868388574.db2.gz	KINGGEIKUIDUHW-BZUAXINKSA-N	1	0	361.490	1.161	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]2CC1	ZINC000946787690	882184973	/nfs/dbraw/zinc/18/49/73/882184973.db2.gz	AQMJHCDUAREXDH-AVEIZBFRSA-N	1	0	363.502	1.225	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4CC)CC[C@@H]3C2)C1=O	ZINC000946788356	882188929	/nfs/dbraw/zinc/18/89/29/882188929.db2.gz	QCBTVYRRKZNRKF-UJWQCDCRSA-N	1	0	359.514	1.990	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](CC)C(N)=O)[C@H](C)C2)cc1	ZINC001106114136	868481580	/nfs/dbraw/zinc/48/15/80/868481580.db2.gz	VACBDOJKSCZRIP-SZVBFZGTSA-N	1	0	371.481	1.650	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)[C@H](C)C1	ZINC001106114590	868497909	/nfs/dbraw/zinc/49/79/09/868497909.db2.gz	DIXBVYSEAKEACC-CRAIPNDOSA-N	1	0	357.429	1.921	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2nc([C@H](C)OC)no2)[C@H](C)C1	ZINC001106114802	868505431	/nfs/dbraw/zinc/50/54/31/868505431.db2.gz	JILKLVFIZXTBNZ-QLFBSQMISA-N	1	0	364.446	1.001	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2nnc(CCC)s2)[C@H](C)C1	ZINC001106115330	868521703	/nfs/dbraw/zinc/52/17/03/868521703.db2.gz	SVZQDBHKOPVPHH-HUUCEWRRSA-N	1	0	364.515	1.715	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CCc2ccc3c(c2)CCO3)[C@H](C)C1	ZINC001106116816	868580188	/nfs/dbraw/zinc/58/01/88/868580188.db2.gz	OMZGCZXXJVBAAT-MBOZVWFJSA-N	1	0	370.493	1.886	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]CCOC[C@@H]2CCCCO2)[C@H](C)C1	ZINC001106117380	868594991	/nfs/dbraw/zinc/59/49/91/868594991.db2.gz	OPFGVRUNVVVZRF-QRVBRYPASA-N	1	0	366.502	1.296	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]CCc2ccc(OC)cc2)[C@H](C)C1	ZINC001106117648	868602462	/nfs/dbraw/zinc/60/24/62/868602462.db2.gz	XFZXMGICEHGKJP-IEBWSBKVSA-N	1	0	358.482	1.962	20	30		FDEDRO
C#Cc1ccc(C(=O)NCC2CC(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cn1	ZINC000992265714	868685741	/nfs/dbraw/zinc/68/57/41/868685741.db2.gz	BOCFIEJHDCYFIV-SJROMKODSA-N	1	0	368.481	1.418	20	30		FDEDRO
C[C@H](CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1)NC(N)=O	ZINC001106126709	868996399	/nfs/dbraw/zinc/99/63/99/868996399.db2.gz	SXHVFZYDWKNNQY-JHJVBQTASA-N	1	0	363.487	1.251	20	30		FDEDRO
C[C@@H](CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1)NC(N)=O	ZINC001106126708	868996670	/nfs/dbraw/zinc/99/66/70/868996670.db2.gz	SXHVFZYDWKNNQY-FRRDWIJNSA-N	1	0	363.487	1.251	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)CC1	ZINC000913962899	870154249	/nfs/dbraw/zinc/15/42/49/870154249.db2.gz	LQYIEQZKCOCQPE-INIZCTEOSA-N	1	0	361.467	1.302	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@@]4(CNC(=O)C4)C3)C2=O)cc1	ZINC000492678642	870235288	/nfs/dbraw/zinc/23/52/88/870235288.db2.gz	FHUOGOAWSILDGK-YLJYHZDGSA-N	1	0	352.438	1.656	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccnn2CC2CCC2)C[C@H]1C	ZINC001106136186	870372336	/nfs/dbraw/zinc/37/23/36/870372336.db2.gz	VSLJJOWZHVQQTQ-SJLPKXTDSA-N	1	0	358.486	1.631	20	30		FDEDRO
C#CC[C@@H](CO)NC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000914023237	870395380	/nfs/dbraw/zinc/39/53/80/870395380.db2.gz	SDDHYICMZZKOTD-FCEWJHQRSA-N	1	0	359.470	1.479	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)Cc2nnn(C(C)(C)C)n2)C[C@H]1C	ZINC001106171106	871576180	/nfs/dbraw/zinc/57/61/80/871576180.db2.gz	HQEDYNRIVQHOCJ-DGCLKSJQSA-N	1	0	354.886	1.407	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C2CC2)[C@H](C)C1	ZINC001106175866	871580912	/nfs/dbraw/zinc/58/09/12/871580912.db2.gz	XVHUDFSDYLCHJH-GDBMZVCRSA-N	1	0	358.490	1.961	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)C2(NC(C)=O)CCCCC2)[C@H](OC)C1	ZINC001212474459	871610288	/nfs/dbraw/zinc/61/02/88/871610288.db2.gz	KCRYPYJXKTXARU-CGTJXYLNSA-N	1	0	365.518	1.996	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000672781954	871706980	/nfs/dbraw/zinc/70/69/80/871706980.db2.gz	UFSQKSZGVJLYMO-WMZOPIPTSA-N	1	0	364.534	1.474	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@H](C)N2CCc3sccc3C2)CC1	ZINC000914192957	871745492	/nfs/dbraw/zinc/74/54/92/871745492.db2.gz	MQWHDMCKKDTHQV-HNNXBMFYSA-N	1	0	360.527	1.892	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1	ZINC000922081154	871886056	/nfs/dbraw/zinc/88/60/56/871886056.db2.gz	JBLLTQVWDJGEAT-DOMZBBRYSA-N	1	0	356.879	1.623	20	30		FDEDRO
C#CCN(C(=O)NCc1cccc(C(=O)NC2CC2)c1)C1CC[NH+](C)CC1	ZINC000914230214	871908085	/nfs/dbraw/zinc/90/80/85/871908085.db2.gz	GCYFXZNYVSPDBK-UHFFFAOYSA-N	1	0	368.481	1.818	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccc(OC)c(OC)c2OC)CC1	ZINC000914251912	872015392	/nfs/dbraw/zinc/01/53/92/872015392.db2.gz	MBYVZISWSJKHBA-UHFFFAOYSA-N	1	0	361.442	1.609	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]2C)cc1	ZINC000994406135	882619414	/nfs/dbraw/zinc/61/94/14/882619414.db2.gz	SERYFZNXPZQWJE-MBOZVWFJSA-N	1	0	367.493	1.834	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCCOCC)C2)nn1	ZINC001112541492	872712799	/nfs/dbraw/zinc/71/27/99/872712799.db2.gz	AAZDADWUOPEAQY-LPHOPBHVSA-N	1	0	361.490	1.723	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1	ZINC000914400793	872713696	/nfs/dbraw/zinc/71/36/96/872713696.db2.gz	UKMBZBNZRYXSRG-QGZVFWFLSA-N	1	0	370.497	1.981	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C[NH2+]CC#Cc1ccccc1Cl	ZINC001106183509	873072236	/nfs/dbraw/zinc/07/22/36/873072236.db2.gz	ANBNAEUPHAXXNE-NVXWUHKLSA-N	1	0	371.872	1.667	20	30		FDEDRO
CCn1cc(C(=O)N2C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C2)c(C2CC2)n1	ZINC001106185221	873123219	/nfs/dbraw/zinc/12/32/19/873123219.db2.gz	HKRAPZLJNMNXLA-NVXWUHKLSA-N	1	0	358.486	1.728	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ocnc2C)CC1	ZINC001003364103	873219668	/nfs/dbraw/zinc/21/96/68/873219668.db2.gz	YCZORWGIQVMKKP-ZACQAIPSSA-N	1	0	370.453	1.190	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NCC)[C@H](C)C1	ZINC001106190167	873242599	/nfs/dbraw/zinc/24/25/99/873242599.db2.gz	WNVIOPRALQXEOJ-RBSFLKMASA-N	1	0	352.479	1.261	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)CCc2ccnn2C)C[C@H]1C	ZINC001106191829	873268147	/nfs/dbraw/zinc/26/81/47/873268147.db2.gz	ONBOKHQPZOFYLI-TZMCWYRMSA-N	1	0	369.307	1.945	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2nncs2)[C@H](C)C1	ZINC001106193860	873274308	/nfs/dbraw/zinc/27/43/08/873274308.db2.gz	WHAOQZUMSVOSDO-CHWSQXEVSA-N	1	0	351.476	1.517	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](C1CC1)[NH+](C)C	ZINC001003501597	873610486	/nfs/dbraw/zinc/61/04/86/873610486.db2.gz	QMYSEXQOYUZLQV-VXNCWWDNSA-N	1	0	370.497	1.876	20	30		FDEDRO
CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@H](O)CC2(C#N)CCC2)c1	ZINC001168466124	873655021	/nfs/dbraw/zinc/65/50/21/873655021.db2.gz	LBCHYSAQXBAKNW-DZGCQCFKSA-N	1	0	351.472	1.690	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)C4CC(C)C4)C[C@@]3(C)C2)CC1	ZINC000993018213	873697422	/nfs/dbraw/zinc/69/74/22/873697422.db2.gz	GQOOMYFROGWYHP-HHSWWEEVSA-N	1	0	371.525	1.685	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCOc2cccc(F)c2)C[C@H]1C	ZINC001106209383	873752915	/nfs/dbraw/zinc/75/29/15/873752915.db2.gz	ZSRNULHJNXUCBZ-IAGOWNOFSA-N	1	0	362.445	1.929	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2C(C)C)C[C@H]1C	ZINC001106211716	873803917	/nfs/dbraw/zinc/80/39/17/873803917.db2.gz	PESXBLYCLACUFL-IAGOWNOFSA-N	1	0	355.482	1.857	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(C(=O)NC)cc2)CC1	ZINC001003650708	873922605	/nfs/dbraw/zinc/92/26/05/873922605.db2.gz	YPTYDBMLNBUQEK-MOPGFXCFSA-N	1	0	371.481	1.718	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cn(-c3cccnc3)nn2)C[C@H]1C	ZINC001106220551	873945120	/nfs/dbraw/zinc/94/51/20/873945120.db2.gz	QBTDWRWADAZCIW-TZMCWYRMSA-N	1	0	360.849	1.713	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3cc(C)cn3c2)C[C@H]1C	ZINC001106222400	873961647	/nfs/dbraw/zinc/96/16/47/873961647.db2.gz	LDCBJIVAHSYSCW-SJLPKXTDSA-N	1	0	368.481	1.848	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1[nH]c(C)cc1C	ZINC001003677285	873984653	/nfs/dbraw/zinc/98/46/53/873984653.db2.gz	URKAQUCQKAFUBE-BDXSIMOUSA-N	1	0	368.481	1.591	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc3c(o2)CCCC3)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106232584	874036617	/nfs/dbraw/zinc/03/66/17/874036617.db2.gz	DIDYVAMUUCZHND-UKRRQHHQSA-N	1	0	358.442	1.096	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)N(C)C)C[C@H]1C	ZINC001106245857	874101371	/nfs/dbraw/zinc/10/13/71/874101371.db2.gz	FMJNGDOFCQJICA-BMFZPTHFSA-N	1	0	353.898	1.250	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@]3(C)C2)cn1	ZINC000993069857	874125455	/nfs/dbraw/zinc/12/54/55/874125455.db2.gz	ACWJKTCOFZDILD-BLIXFSHQSA-N	1	0	368.481	1.324	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccn2CC=C)C[C@H]1C	ZINC001106255659	874169846	/nfs/dbraw/zinc/16/98/46/874169846.db2.gz	CSDMPIPMWHFIRZ-IXDOHACOSA-N	1	0	356.470	1.110	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2cnccc2C)C[C@H]1C	ZINC001106270183	874299510	/nfs/dbraw/zinc/29/95/10/874299510.db2.gz	XWNQXGQIIBAZSJ-JFIYKMOQSA-N	1	0	358.486	1.307	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2snnc2C2CC2)C[C@H]1C	ZINC001106276799	874344328	/nfs/dbraw/zinc/34/43/28/874344328.db2.gz	AJYLIDSSTFFOMT-TZMCWYRMSA-N	1	0	350.488	1.916	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)CN1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000495082234	874486491	/nfs/dbraw/zinc/48/64/91/874486491.db2.gz	ILUABTZNFLCFRJ-ICSRJNTNSA-N	1	0	360.498	1.809	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCc3ccccc32)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106321235	874774821	/nfs/dbraw/zinc/77/48/21/874774821.db2.gz	RGFNNVCPWRBKIQ-SZVBFZGTSA-N	1	0	368.481	1.430	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1C	ZINC001106330950	874803247	/nfs/dbraw/zinc/80/32/47/874803247.db2.gz	JFBSDEYQMCELIT-BXUZGUMPSA-N	1	0	368.275	1.592	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(OCC=C)cc2)C[C@H]1C	ZINC001106330911	874803676	/nfs/dbraw/zinc/80/36/76/874803676.db2.gz	HLCUAUMSRCYATQ-SJLPKXTDSA-N	1	0	371.481	1.851	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)C2CCCC2)C[C@H]1C	ZINC001106326162	874805967	/nfs/dbraw/zinc/80/59/67/874805967.db2.gz	VGUFPPPUWFDAOT-HZPDHXFCSA-N	1	0	356.532	1.994	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106357174	874892995	/nfs/dbraw/zinc/89/29/95/874892995.db2.gz	VWFRDBCVEXQTNY-NZSAHSFTSA-N	1	0	353.466	1.248	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1C[NH2+]CC#Cc1ccc(Cl)cc1	ZINC001106370210	874955319	/nfs/dbraw/zinc/95/53/19/874955319.db2.gz	HNQXECMNSSVKNY-UKRRQHHQSA-N	1	0	357.845	1.808	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccn3nccc23)C[C@H]1C	ZINC001106373663	874980016	/nfs/dbraw/zinc/98/00/16/874980016.db2.gz	OORYFSJNJCJHKY-BZUAXINKSA-N	1	0	369.469	1.323	20	30		FDEDRO
CC(C)c1cccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)n1	ZINC001106380542	874982826	/nfs/dbraw/zinc/98/28/26/874982826.db2.gz	FKQXZPMRGNXJLG-HUUCEWRRSA-N	1	0	357.458	1.142	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCc2cncc(OC)c2)C[C@H]1C	ZINC001106401060	875102644	/nfs/dbraw/zinc/10/26/44/875102644.db2.gz	VEFSIEKXMMPELV-SJLPKXTDSA-N	1	0	359.470	1.357	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2OCC(N)=O)C[C@H]1C	ZINC001106397865	875105554	/nfs/dbraw/zinc/10/55/54/875105554.db2.gz	RMRCHZTXFQKWDR-HZPDHXFCSA-N	1	0	359.470	1.815	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(Cl)cn2C)C[C@H]1C	ZINC001106402969	875126929	/nfs/dbraw/zinc/12/69/29/875126929.db2.gz	JSKUUDKSRRODSI-HZSPNIEDSA-N	1	0	364.877	1.114	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1C	ZINC001106403338	875130972	/nfs/dbraw/zinc/13/09/72/875130972.db2.gz	XCYKPEQVBIVXMO-MWLCHTKSSA-N	1	0	370.247	1.585	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2scnc2C(F)F)C[C@H]1C	ZINC001106412696	875161719	/nfs/dbraw/zinc/16/17/19/875161719.db2.gz	UPWAZHOFQLADSU-GHMZBOCLSA-N	1	0	370.425	1.128	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccn3ccccc23)C[C@H]1C	ZINC001106409312	875172211	/nfs/dbraw/zinc/17/22/11/875172211.db2.gz	HHTDYOOHZBDTOC-HZPDHXFCSA-N	1	0	354.454	1.539	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN2CCCCS2(=O)=O)C[C@H]1C	ZINC001106433827	875296790	/nfs/dbraw/zinc/29/67/90/875296790.db2.gz	SJGAJYBOZOSGIP-BRWVUGGUSA-N	1	0	371.547	1.451	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3nncn3CC2)C[C@H]1C	ZINC001106450480	875357725	/nfs/dbraw/zinc/35/77/25/875357725.db2.gz	JLWCIYXNOHTPIT-BRWVUGGUSA-N	1	0	361.490	1.117	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cn2nc(C)c3cccnc32)C[C@H]1C	ZINC001106460884	875446238	/nfs/dbraw/zinc/44/62/38/875446238.db2.gz	AGPDACCVXAYUDB-NVXWUHKLSA-N	1	0	371.485	1.626	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1C	ZINC001106461637	875474025	/nfs/dbraw/zinc/47/40/25/875474025.db2.gz	HMAZJFURUXRQMA-TZMCWYRMSA-N	1	0	369.307	1.945	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2csc3ccccc32)C[C@H]1C	ZINC001106492125	875691770	/nfs/dbraw/zinc/69/17/70/875691770.db2.gz	GSVWWDSAQMYGDS-HUUCEWRRSA-N	1	0	369.490	1.948	20	30		FDEDRO
C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c1=O	ZINC000915208723	875751775	/nfs/dbraw/zinc/75/17/75/875751775.db2.gz	GKYIDWKEAORGCM-ULQDDVLXSA-N	1	0	374.485	1.402	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]nc2C)C[C@H]1C	ZINC001106507112	875758745	/nfs/dbraw/zinc/75/87/45/875758745.db2.gz	YVOWUPHZAQUAAK-GDBMZVCRSA-N	1	0	359.474	1.216	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC3CC3)[C@H](C)C2)cc1	ZINC001106511183	875779151	/nfs/dbraw/zinc/77/91/51/875779151.db2.gz	CHTRCFPAEUNPOK-DNVCBOLYSA-N	1	0	353.466	1.492	20	30		FDEDRO
COc1ccc(OC)c([C@@H](O)C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c1	ZINC000915223501	875783379	/nfs/dbraw/zinc/78/33/79/875783379.db2.gz	NSHGXJMHNVEVNM-BEFAXECRSA-N	1	0	372.421	1.638	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NCCCOC)[C@H](C)C1	ZINC001106518155	875815723	/nfs/dbraw/zinc/81/57/23/875815723.db2.gz	GVWFXOYIJBZCJK-BRWVUGGUSA-N	1	0	367.534	1.814	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@H]2CCOC2)[C@H](C)C1	ZINC001106518299	875815792	/nfs/dbraw/zinc/81/57/92/875815792.db2.gz	LBZYXSCTMOJWOK-BRWVUGGUSA-N	1	0	365.518	1.426	20	30		FDEDRO
COc1cc(CO[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)ccn1	ZINC000762461606	875952398	/nfs/dbraw/zinc/95/23/98/875952398.db2.gz	COMRTTRBKFYTJJ-UHFFFAOYSA-N	1	0	356.426	1.888	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(F)(F)F)[C@H](C)C1	ZINC001106564207	875964807	/nfs/dbraw/zinc/96/48/07/875964807.db2.gz	VAZXWUDINCYGJD-HZSPNIEDSA-N	1	0	363.424	1.951	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@H]1C	ZINC001106567176	875975348	/nfs/dbraw/zinc/97/53/48/875975348.db2.gz	YOODKGPAWBZMPB-ZSXDVEMLSA-N	1	0	359.514	1.917	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@@]3(C)C2)cc1	ZINC000993209280	876178224	/nfs/dbraw/zinc/17/82/24/876178224.db2.gz	ZUKYNEZIZDWGKA-CNNODRBYSA-N	1	0	365.477	1.683	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(OC)cc2C)C[C@H]1C	ZINC001106615208	876215075	/nfs/dbraw/zinc/21/50/75/876215075.db2.gz	PCTANXXYKPOIBS-IXDOHACOSA-N	1	0	371.481	1.439	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCc2ccccc2)C[C@H]1C	ZINC001106620312	876224449	/nfs/dbraw/zinc/22/44/49/876224449.db2.gz	ZKFGDACSRUUVTL-QWFCFKBJSA-N	1	0	369.509	1.831	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NC)[C@H](C)C2)CC1	ZINC001106628540	876271108	/nfs/dbraw/zinc/27/11/08/876271108.db2.gz	OSPUQDSZJQVLQV-IJEWVQPXSA-N	1	0	364.490	1.261	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@](C)(C=C)CC)C[C@H]1C	ZINC001106629225	876276166	/nfs/dbraw/zinc/27/61/66/876276166.db2.gz	GKBRNSDNNCJQMV-CLCXKQKWSA-N	1	0	364.490	1.285	20	30		FDEDRO
C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@@H]1O	ZINC001083733232	876307189	/nfs/dbraw/zinc/30/71/89/876307189.db2.gz	FSACMTDPBSGRGH-MSOLQXFVSA-N	1	0	368.437	1.188	20	30		FDEDRO
COC[C@@H](OC)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1	ZINC001106643913	876351875	/nfs/dbraw/zinc/35/18/75/876351875.db2.gz	NXZNZWQQCSOTLM-XJKCOSOUSA-N	1	0	351.472	1.465	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N[C@H](C)C3CC3)[C@H](C)C2)c1	ZINC001106650306	876386940	/nfs/dbraw/zinc/38/69/40/876386940.db2.gz	IVQZTUWJSVRTMX-SPYBWZPUSA-N	1	0	368.481	1.275	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)NCCCC)[C@H](C)C2)c1	ZINC001106650529	876388443	/nfs/dbraw/zinc/38/84/43/876388443.db2.gz	RFITYWCREOYSTQ-JTDSTZFVSA-N	1	0	370.497	1.665	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(C)(C)CC)[C@H](C)C2)c1	ZINC001106650738	876389523	/nfs/dbraw/zinc/38/95/23/876389523.db2.gz	ANJXDTHHADXISV-CRAIPNDOSA-N	1	0	370.497	1.665	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)C(C)C)[C@H](C)C2)c1	ZINC001106651688	876392871	/nfs/dbraw/zinc/39/28/71/876392871.db2.gz	XUBGVWWTFKICSM-CRAIPNDOSA-N	1	0	356.470	1.227	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC(F)(F)C2)C[C@H]1C	ZINC001106657763	876429738	/nfs/dbraw/zinc/42/97/38/876429738.db2.gz	PRRMWCLXCVRDOW-QLFBSQMISA-N	1	0	355.429	1.245	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C	ZINC001106663321	876441479	/nfs/dbraw/zinc/44/14/79/876441479.db2.gz	CBSADXJMNQEUEO-WCXIOVBPSA-N	1	0	351.491	1.450	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C)O2)C[C@H]1C	ZINC001106682609	876554121	/nfs/dbraw/zinc/55/41/21/876554121.db2.gz	PZXNYHQMJPANKP-BRSBDYLESA-N	1	0	363.502	1.439	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccncc2Cl)C[C@H]1C	ZINC001106696406	876595418	/nfs/dbraw/zinc/59/54/18/876595418.db2.gz	XOFZYCGMGSRDKM-HZSPNIEDSA-N	1	0	362.861	1.171	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)ccc2F)C[C@H]1C	ZINC001106703574	876660176	/nfs/dbraw/zinc/66/01/76/876660176.db2.gz	SZEQYLTXGYIZAG-BZUAXINKSA-N	1	0	359.445	1.570	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)c3cc(C)co3)C[C@]2(C)C1	ZINC000993282030	876797647	/nfs/dbraw/zinc/79/76/47/876797647.db2.gz	BBEUDRHUPAXXFB-WWMYMODYSA-N	1	0	369.465	1.606	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NC)[C@H](C)C1	ZINC001106710266	876894135	/nfs/dbraw/zinc/89/41/35/876894135.db2.gz	DLBVGJSREUKGAE-HZSPNIEDSA-N	1	0	352.479	1.117	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(CC)cc2)C[C@H]1C	ZINC001106713063	876906713	/nfs/dbraw/zinc/90/67/13/876906713.db2.gz	ZYRMMQMKIWUDQW-FUHIMQAGSA-N	1	0	369.509	1.614	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)Cn2nccc2C)C[C@H]1C	ZINC001106713243	876921163	/nfs/dbraw/zinc/92/11/63/876921163.db2.gz	DPVHWZOPZJXOON-BXUZGUMPSA-N	1	0	355.280	1.784	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1C#N	ZINC000272291848	876930414	/nfs/dbraw/zinc/93/04/14/876930414.db2.gz	FIDRNWKCWDSBIE-YOEHRIQHSA-N	1	0	370.453	1.837	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C(C)C)no2)C[C@H]1C	ZINC001106729033	877073466	/nfs/dbraw/zinc/07/34/66/877073466.db2.gz	FPBDDNUPURIRAG-RBSFLKMASA-N	1	0	362.474	1.786	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](CCCN2CCCC2=O)CC1	ZINC001003779656	877216820	/nfs/dbraw/zinc/21/68/20/877216820.db2.gz	HABDQABURZBKFS-HKUYNNGSSA-N	1	0	363.502	1.561	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2csc(Cl)c2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106730997	877224329	/nfs/dbraw/zinc/22/43/29/877224329.db2.gz	AHVPHQPXORWROC-ZYHUDNBSSA-N	1	0	354.863	1.339	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]CCCCOC)[C@H](C)C1	ZINC001106734234	877281172	/nfs/dbraw/zinc/28/11/72/877281172.db2.gz	SPFXEEFVRYIWER-NXHRZFHOSA-N	1	0	353.507	1.568	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](NC(=O)COC)C(C)C)C[C@H]1C	ZINC001106742868	877412723	/nfs/dbraw/zinc/41/27/23/877412723.db2.gz	WLMUEAMVZKWYPO-NUJGCVRESA-N	1	0	353.507	1.424	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1C	ZINC001106743922	877428759	/nfs/dbraw/zinc/42/87/59/877428759.db2.gz	ZKANLEWARCWZQZ-RBSFLKMASA-N	1	0	359.536	1.353	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]CC[C@H]3CCCO3)[C@H](C)C2)nn1	ZINC001106750306	877510871	/nfs/dbraw/zinc/51/08/71/877510871.db2.gz	XYYOKZWMFCBAHY-BRWVUGGUSA-N	1	0	361.490	1.721	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2c2ccccc2)C[C@H]1C	ZINC001106752036	877536275	/nfs/dbraw/zinc/53/62/75/877536275.db2.gz	OOAWFMPJGDPKAO-CWJKEVGVSA-N	1	0	370.493	1.893	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)C[C@H]1C	ZINC001106754789	877550139	/nfs/dbraw/zinc/55/01/39/877550139.db2.gz	HDPJFZBYEDCBIE-RAIGVLPGSA-N	1	0	358.280	1.248	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)COC3)C[C@H]1C	ZINC001106756072	877572390	/nfs/dbraw/zinc/57/23/90/877572390.db2.gz	INCAJBCAHQXOPV-ZRGWGRIASA-N	1	0	369.465	1.152	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)C2(C(=O)NC)CC2)C[C@H]1C	ZINC001106759103	877593887	/nfs/dbraw/zinc/59/38/87/877593887.db2.gz	OQPFWWUKTWUJCR-ZYHUDNBSSA-N	1	0	358.280	1.105	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cn3nc(C)cc3[nH]c2=O)C[C@H]1C	ZINC001106763412	877619668	/nfs/dbraw/zinc/61/96/68/877619668.db2.gz	GDMYEAJTGXSHTR-ZWNOBZJWSA-N	1	0	363.849	1.381	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cncc(Cl)c2)C[C@H]1C	ZINC001106762883	877643933	/nfs/dbraw/zinc/64/39/33/877643933.db2.gz	PYWFDKWLGGDENM-UMVBOHGHSA-N	1	0	362.861	1.171	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C(F)F)cc2)C[C@H]1C	ZINC001106767610	877647913	/nfs/dbraw/zinc/64/79/13/877647913.db2.gz	JVBXKVDLLIZFHC-CZUORRHYSA-N	1	0	363.408	1.671	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)c2cc(C)oc2C)C[C@H]1C	ZINC001106767567	877648016	/nfs/dbraw/zinc/64/80/16/877648016.db2.gz	INJYDAJAOPQZFW-UKPHBRMFSA-N	1	0	361.486	1.986	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)c2ccc(CC)cc2)C[C@H]1C	ZINC001106767891	877651563	/nfs/dbraw/zinc/65/15/63/877651563.db2.gz	YOWGPPXHFAKQGP-MBOZVWFJSA-N	1	0	369.509	1.786	20	30		FDEDRO
CC(=O)NC(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1	ZINC001106769196	877674877	/nfs/dbraw/zinc/67/48/77/877674877.db2.gz	HOCDNKUWNGDJNC-TZMCWYRMSA-N	1	0	362.499	1.719	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2[nH]ncc2Br)C[C@H]1C	ZINC001106773876	877723708	/nfs/dbraw/zinc/72/37/08/877723708.db2.gz	LXUYALOBGQNEBX-VXGBXAGGSA-N	1	0	371.279	1.673	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)c2ccccc2F)C[C@H]1C	ZINC001106776718	877743105	/nfs/dbraw/zinc/74/31/05/877743105.db2.gz	DJNKGOUJGNBTDE-OWCLPIDISA-N	1	0	359.445	1.363	20	30		FDEDRO
Cc1cccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)c1Cl	ZINC001106781903	877808689	/nfs/dbraw/zinc/80/86/89/877808689.db2.gz	KZRIDLJOTAUDOZ-ZIAGYGMSSA-N	1	0	362.861	1.586	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@@]3(C)C2)C1	ZINC000993393435	877847255	/nfs/dbraw/zinc/84/72/55/877847255.db2.gz	AAMJRAPPYSWMCK-LHUKNYEISA-N	1	0	359.514	1.990	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC(CC)CC)C[C@H]1C	ZINC001106805770	878070320	/nfs/dbraw/zinc/07/03/20/878070320.db2.gz	ZNHOMBFOJXAGJJ-GDBMZVCRSA-N	1	0	366.506	1.509	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001106811498	878184336	/nfs/dbraw/zinc/18/43/36/878184336.db2.gz	LGAUJAJGXUQJTJ-RDTXWAMCSA-N	1	0	354.454	1.269	20	30		FDEDRO
CCOc1nc(C)ccc1C(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1	ZINC001106820871	878281627	/nfs/dbraw/zinc/28/16/27/878281627.db2.gz	GUKKCIGDLVPZHU-NVXWUHKLSA-N	1	0	359.470	1.736	20	30		FDEDRO
Cc1nonc1CC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1	ZINC001106821536	878284631	/nfs/dbraw/zinc/28/46/31/878284631.db2.gz	XBPFNKBFDRTYFY-CRAIPNDOSA-N	1	0	352.438	1.656	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]Cc1cn(C(C)(C)C)c(=O)[nH]c1=O	ZINC000922496804	878342779	/nfs/dbraw/zinc/34/27/79/878342779.db2.gz	JDQBMCSBLYNSNV-UHFFFAOYSA-N	1	0	355.442	1.931	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@]2(COC)OCCc3ccccc32)CC1	ZINC000922512185	878422819	/nfs/dbraw/zinc/42/28/19/878422819.db2.gz	NYMCGPRFGMVPRF-OAQYLSRUSA-N	1	0	371.481	1.498	20	30		FDEDRO
C=CCOc1c(Cl)cc(C[NH2+]C[C@]2(CO)COCCN2C)cc1OC	ZINC000922534789	878474998	/nfs/dbraw/zinc/47/49/98/878474998.db2.gz	VCYODEXIFHOSEU-SFHVURJKSA-N	1	0	370.877	1.696	20	30		FDEDRO
C=C(C)COc1cc(C[NH2+]C[C@]2(CO)COCCN2C)ccc1OC	ZINC000922535383	878476335	/nfs/dbraw/zinc/47/63/35/878476335.db2.gz	GIPMHDOVDGFVTJ-IBGZPJMESA-N	1	0	350.459	1.433	20	30		FDEDRO
COc1cc(CNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)ccc1C#N	ZINC000922528714	878492985	/nfs/dbraw/zinc/49/29/85/878492985.db2.gz	CJCBHWOKCQLYFG-JKSUJKDBSA-N	1	0	360.483	1.946	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CCOc4ccccc43)[C@H]2C1	ZINC001083163844	912369014	/nfs/dbraw/zinc/36/90/14/912369014.db2.gz	ZIVMVGHCKRWCGJ-IMFGXOCKSA-N	1	0	354.450	1.878	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H]2CN(Cc3cccc(C#N)c3)C[C@@H]21	ZINC001083168957	912435351	/nfs/dbraw/zinc/43/53/51/912435351.db2.gz	VVPJCDJHOHNGJW-SLFFLAALSA-N	1	0	368.481	1.454	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-c3nc[nH]n3)cc2)C[C@H]1C	ZINC001106833228	879721524	/nfs/dbraw/zinc/72/15/24/879721524.db2.gz	PMYXQBHEPVOVPD-CRAIPNDOSA-N	1	0	367.453	1.419	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1	ZINC001004534960	879810327	/nfs/dbraw/zinc/81/03/27/879810327.db2.gz	CRLIFBQDWNBISS-KSZLIROESA-N	1	0	363.502	1.415	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC000993879960	879950890	/nfs/dbraw/zinc/95/08/90/879950890.db2.gz	SSORGRMAUJHPFJ-GDBMZVCRSA-N	1	0	371.485	1.585	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@H]2OC)C1	ZINC000946635414	879957268	/nfs/dbraw/zinc/95/72/68/879957268.db2.gz	POORBCBMZZCLPQ-BRWVUGGUSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CCCc3cccc(C)c3)C[C@@H]2O)nn1	ZINC001083843305	879972337	/nfs/dbraw/zinc/97/23/37/879972337.db2.gz	AXHLTLFLHYMEEX-MJGOQNOKSA-N	1	0	369.469	1.180	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC000993867825	880028177	/nfs/dbraw/zinc/02/81/77/880028177.db2.gz	DZWGNAISMRZUTF-IJEWVQPXSA-N	1	0	357.458	1.195	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)[C@H](C)C1	ZINC000993907344	880111712	/nfs/dbraw/zinc/11/17/12/880111712.db2.gz	CFTFTRMBYRNGNP-IIDMSEBBSA-N	1	0	371.485	1.585	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC000993909783	880118406	/nfs/dbraw/zinc/11/84/06/880118406.db2.gz	AZEPPAFTALEXBL-FXUDXRNXSA-N	1	0	371.485	1.441	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)C1	ZINC000993910376	880119863	/nfs/dbraw/zinc/11/98/63/880119863.db2.gz	YROKMWBFDOIBKD-RRFJBIMHSA-N	1	0	357.458	1.052	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)CC[N@@H+]1C	ZINC000993910754	880121548	/nfs/dbraw/zinc/12/15/48/880121548.db2.gz	OSUMOGMMWQSXQK-AHEZYBDSSA-N	1	0	371.485	1.441	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](C2CC2)[NH+](C)C)nc1	ZINC001004747695	881200762	/nfs/dbraw/zinc/20/07/62/881200762.db2.gz	KUDSMNKTYOHDKQ-OQIJWPOYSA-N	1	0	366.465	1.265	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+]2CCCC2)nc1	ZINC001004749660	881202533	/nfs/dbraw/zinc/20/25/33/881202533.db2.gz	XGHSZNDVIVLQBO-NXHRZFHOSA-N	1	0	352.438	1.020	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCCNc2ccc(C#N)cn2)C1	ZINC000915922621	881234354	/nfs/dbraw/zinc/23/43/54/881234354.db2.gz	WEELGDCBSQHSJB-INIZCTEOSA-N	1	0	360.462	1.021	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3C)[C@H](C)C2)nc1	ZINC000994240501	881242287	/nfs/dbraw/zinc/24/22/87/881242287.db2.gz	OJHCFGDFDBOAIF-SZVBFZGTSA-N	1	0	368.481	1.372	20	30		FDEDRO
C#CCC1(NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CCOCC1	ZINC000925426906	881265733	/nfs/dbraw/zinc/26/57/33/881265733.db2.gz	CTHWDCVWBQKHPP-UHFFFAOYSA-N	1	0	355.482	1.736	20	30		FDEDRO
C=CC[N@H+](CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)C(C)C	ZINC000917168539	883160329	/nfs/dbraw/zinc/16/03/29/883160329.db2.gz	VPOSQPKJPWPZOJ-UHFFFAOYSA-N	1	0	359.470	1.672	20	30		FDEDRO
Cn1cc(C=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)cn1	ZINC000917211011	883202037	/nfs/dbraw/zinc/20/20/37/883202037.db2.gz	VHGQKEVRDSKYAP-UHFFFAOYSA-N	1	0	356.499	1.883	20	30		FDEDRO
C=CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1	ZINC001033905512	883435919	/nfs/dbraw/zinc/43/59/19/883435919.db2.gz	APFRKHUINRIEDW-OTWHNJEPSA-N	1	0	365.518	1.365	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@@H]1O	ZINC001083998739	912722504	/nfs/dbraw/zinc/72/25/04/912722504.db2.gz	LGHNFWZPKWSKSR-RTWAWAEBSA-N	1	0	364.445	1.451	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001128817280	883734794	/nfs/dbraw/zinc/73/47/94/883734794.db2.gz	ZECLJMURYWMYBW-QRVBRYPASA-N	1	0	369.469	1.189	20	30		FDEDRO
Cc1cc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@@H](C)C#N)[C@@H](n3ccnn3)C2)c(C)c1	ZINC001128826258	883749286	/nfs/dbraw/zinc/74/92/86/883749286.db2.gz	ZWTOVKAVKBOQPN-UHOSZYNNSA-N	1	0	366.469	1.905	20	30		FDEDRO
Cc1ccc([C@H](C)C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)cc1	ZINC001106889574	883758834	/nfs/dbraw/zinc/75/88/34/883758834.db2.gz	UJAHFXKTNJAHEO-SOLBZPMBSA-N	1	0	356.470	1.422	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@](C)(OC)c2ccccc2)C[C@H]1C	ZINC001106889695	883813117	/nfs/dbraw/zinc/81/31/17/883813117.db2.gz	ZIQRIADFJSKJEX-DBXWQHBBSA-N	1	0	358.482	1.882	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@](C)(OC)c2ccccc2)C[C@H]1C	ZINC001106889696	883814043	/nfs/dbraw/zinc/81/40/43/883814043.db2.gz	ZIQRIADFJSKJEX-OPYAIIAOSA-N	1	0	358.482	1.882	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2oc(C)nc2C)[C@@H](n2ccnn2)C1	ZINC001128851101	883844944	/nfs/dbraw/zinc/84/49/44/883844944.db2.gz	AOUPRWHGLJGUFN-WQVCFCJDSA-N	1	0	358.446	1.893	20	30		FDEDRO
C=CCCc1ccc(S(=O)(=O)N2CC(CN3CC[NH+](C)CC3)C2)cc1	ZINC000917891231	883917201	/nfs/dbraw/zinc/91/72/01/883917201.db2.gz	QJQOTJBELXICPY-UHFFFAOYSA-N	1	0	363.527	1.673	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)C(C)=C2CCCC2)[C@@H](n2ccnn2)C1	ZINC001128884087	883954415	/nfs/dbraw/zinc/95/44/15/883954415.db2.gz	YNNSBVMGQARLCH-MSOLQXFVSA-N	1	0	359.474	1.713	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCCN1C(=O)C[NH+]1CCCC1	ZINC001005524983	883958176	/nfs/dbraw/zinc/95/81/76/883958176.db2.gz	CWGHZIGAIHMCFL-KSZLIROESA-N	1	0	363.502	1.561	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@@H]1O	ZINC001083999176	912781989	/nfs/dbraw/zinc/78/19/89/912781989.db2.gz	CBCQFXQKDBYGHG-ZCNNSNEGSA-N	1	0	356.466	1.331	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@@H]1O	ZINC001083999175	912782261	/nfs/dbraw/zinc/78/22/61/912782261.db2.gz	CBCQFXQKDBYGHG-AQNXPRMDSA-N	1	0	356.466	1.331	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@@H]1n1ccnn1	ZINC001128913537	884097389	/nfs/dbraw/zinc/09/73/89/884097389.db2.gz	JYLNFDLTIUPQSN-KSZLIROESA-N	1	0	359.474	1.382	20	30		FDEDRO
C=CCN1CC[C@@H]([NH+]2CCC(N(C)C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC2)C1=O	ZINC001005533994	884108468	/nfs/dbraw/zinc/10/84/68/884108468.db2.gz	UIMSLHNOJLBEGB-JFIYKMOQSA-N	1	0	371.485	1.223	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@@H]1n1ccnn1	ZINC001128938821	884179789	/nfs/dbraw/zinc/17/97/89/884179789.db2.gz	ALAWQAGHTSUIEJ-KSZLIROESA-N	1	0	359.474	1.240	20	30		FDEDRO
C[N@H+]1C[C@]2(C)CN(S(=O)(=O)Cc3cc(C#N)ccc3F)C[C@]2(C)C1	ZINC000918359925	884366832	/nfs/dbraw/zinc/36/68/32/884366832.db2.gz	NCNDTNKGNHUGMY-CALCHBBNSA-N	1	0	351.447	1.801	20	30		FDEDRO
C[NH+]1C[C@@]2(C)CN(S(=O)(=O)Cc3ccc(F)cc3C#N)C[C@]2(C)C1	ZINC000918360864	884368776	/nfs/dbraw/zinc/36/87/76/884368776.db2.gz	WFFBCBROIWQXOM-IRXDYDNUSA-N	1	0	351.447	1.801	20	30		FDEDRO
COC(OC)c1c(C#C[Si](C)(C)C)ccnc1-n1[n-]c(=O)nc1C[NH3+]	ZINC001168755862	884718692	/nfs/dbraw/zinc/71/86/92/884718692.db2.gz	KUVPMCVORNIQKT-UHFFFAOYSA-N	1	0	361.478	1.347	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001060720216	884719231	/nfs/dbraw/zinc/71/92/31/884719231.db2.gz	DBCCQFUJRWVDJS-RXFYRGCNSA-N	1	0	365.518	1.445	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@@H]1n1ccnn1	ZINC001128990035	884837711	/nfs/dbraw/zinc/83/77/11/884837711.db2.gz	XGMGVBAYYILASX-JQHSSLGASA-N	1	0	359.474	1.238	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC/C=C/CC)C[C@@H]1n1ccnn1	ZINC001128993935	884902325	/nfs/dbraw/zinc/90/23/25/884902325.db2.gz	ZXRTZHGJVUNJKM-UXKDMOBESA-N	1	0	373.501	1.957	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nnnn2CCC)CC1	ZINC001034739373	884934221	/nfs/dbraw/zinc/93/42/21/884934221.db2.gz	ODTLGIILLBXPCI-FPCVCCKLSA-N	1	0	362.478	1.191	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc(OC)ns2)[C@@H](n2ccnn2)C1	ZINC001128998975	884938530	/nfs/dbraw/zinc/93/85/30/884938530.db2.gz	LIDGNWHYOGOJCH-OLZOCXBDSA-N	1	0	362.459	1.365	20	30		FDEDRO
C=CCN1CC[C@@H]([NH+]2CCC(N(C)C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1=O	ZINC001005735994	885183581	/nfs/dbraw/zinc/18/35/81/885183581.db2.gz	NQEJBDLSUBJPKX-LHIBYTEYSA-N	1	0	373.497	1.120	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cn(C(C)C)nn2)C1	ZINC000999540459	912909961	/nfs/dbraw/zinc/90/99/61/912909961.db2.gz	WBEZXBKKIXFRBQ-KXIUCKCTSA-N	1	0	361.490	1.919	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(C[NH2+]Cc2cncn2C)cc1	ZINC001034829740	885239101	/nfs/dbraw/zinc/23/91/01/885239101.db2.gz	UUDXVWXJIALWDD-MOPGFXCFSA-N	1	0	354.454	1.917	20	30		FDEDRO
Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1C#N	ZINC000919072500	885268503	/nfs/dbraw/zinc/26/85/03/885268503.db2.gz	OXMJCRMHGFJNGP-LJQANCHMSA-N	1	0	371.485	1.072	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[C@@H](OCC)C(=C)C)[C@@H](n2ccnn2)C1	ZINC001129029693	885340249	/nfs/dbraw/zinc/34/02/49/885340249.db2.gz	KALGAMWTINCSDO-FGTMMUONSA-N	1	0	361.490	1.957	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(C#N)s2)C1	ZINC001034939300	885379630	/nfs/dbraw/zinc/37/96/30/885379630.db2.gz	UAOWPFPGPXOMHI-XJKCOSOUSA-N	1	0	360.483	1.615	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@@H]2n2ccnn2)CCC1	ZINC001129049041	885539399	/nfs/dbraw/zinc/53/93/99/885539399.db2.gz	PFVILGMLSPPCRR-KURKYZTESA-N	1	0	371.485	1.382	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCN2CCCC2=O)C1	ZINC000999525126	912951194	/nfs/dbraw/zinc/95/11/94/912951194.db2.gz	ASDLBTQMZXMARS-AKSNENBUSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC(C)(C)C1	ZINC001089490748	885638025	/nfs/dbraw/zinc/63/80/25/885638025.db2.gz	CRVXJKQDCVHWQC-OWCLPIDISA-N	1	0	351.491	1.592	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C	ZINC001127486598	885672819	/nfs/dbraw/zinc/67/28/19/885672819.db2.gz	PMVSCEUIAYFIAF-MOPGFXCFSA-N	1	0	370.497	1.894	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CCN(C)C1=O)C2	ZINC001112418344	885749516	/nfs/dbraw/zinc/74/95/16/885749516.db2.gz	VQAMVWUVFFPFPY-UWVAXJGDSA-N	1	0	363.502	1.276	20	30		FDEDRO
C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1)CC2	ZINC001035225111	885773629	/nfs/dbraw/zinc/77/36/29/885773629.db2.gz	QWJGCCPOGCWHRC-DLBZAZTESA-N	1	0	363.502	1.513	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)NCCCC)[C@H](C)C2)nc1	ZINC001106894735	885789900	/nfs/dbraw/zinc/78/99/00/885789900.db2.gz	UNOVKIIKPVYPQE-SOLBZPMBSA-N	1	0	370.497	1.665	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N[C@H](C)C3CC3)[C@H](C)C2)nc1	ZINC001106894891	885813344	/nfs/dbraw/zinc/81/33/44/885813344.db2.gz	YEXUQHNNNVHHQP-IIDMSEBBSA-N	1	0	368.481	1.275	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1n1ccnn1	ZINC001129147709	885876726	/nfs/dbraw/zinc/87/67/26/885876726.db2.gz	MLHRIYWTOPRVPR-ZACQAIPSSA-N	1	0	361.490	1.649	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(N)=O)CC(C)(C)C1	ZINC001089513768	885889654	/nfs/dbraw/zinc/88/96/54/885889654.db2.gz	FJWLPFQMDPPZBT-ZOBUZTSGSA-N	1	0	351.491	1.450	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)CC2CC(C)(C)C2)[C@@H](n2ccnn2)C1	ZINC001129185356	886081719	/nfs/dbraw/zinc/08/17/19/886081719.db2.gz	MZFITHLTCQETPH-SJORKVTESA-N	1	0	361.490	1.649	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@]2(F)CCOC2)[C@@H](n2ccnn2)C1	ZINC001129194601	886174325	/nfs/dbraw/zinc/17/43/25/886174325.db2.gz	IQMFOVDXLMEIBS-RYRKJORJSA-N	1	0	367.469	1.719	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@]2(F)CCOC2)[C@@H](n2ccnn2)C1	ZINC001129194602	886176402	/nfs/dbraw/zinc/17/64/02/886176402.db2.gz	IQMFOVDXLMEIBS-SOLBZPMBSA-N	1	0	367.469	1.719	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C2	ZINC000920274650	886799171	/nfs/dbraw/zinc/79/91/71/886799171.db2.gz	OHWPXBSORJCKDJ-BRSBDYLESA-N	1	0	363.483	1.316	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H](COC)OC)[C@@H](n2ccnn2)C1	ZINC001129243284	886808871	/nfs/dbraw/zinc/80/88/71/886808871.db2.gz	MLABNPJVFIXNME-IKGGRYGDSA-N	1	0	365.478	1.027	20	30		FDEDRO
CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)CC(C)(C)C#N)C2)[C@H]1C(C)C	ZINC000920303983	886848206	/nfs/dbraw/zinc/84/82/06/886848206.db2.gz	VQARWEGEPLMIEU-ANQUJSFKSA-N	1	0	357.520	1.325	20	30		FDEDRO
CO[C@@H]1CN([C@@H](C)C(=O)NCCC(C)C)C[C@H]1NC(=O)C#CC(C)(C)C	ZINC001212249167	886888162	/nfs/dbraw/zinc/88/81/62/886888162.db2.gz	YVPQMQFKRSHSJZ-GVDBMIGSSA-N	1	0	365.518	1.402	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2ccc(C)n2)[C@@H](n2ccnn2)C1	ZINC001129262910	886988026	/nfs/dbraw/zinc/98/80/26/886988026.db2.gz	VXVPPFBEWGQWGH-BBWFWOEESA-N	1	0	357.462	1.179	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)[C@@H](n2ccnn2)C1	ZINC001129271980	887105508	/nfs/dbraw/zinc/10/55/08/887105508.db2.gz	UCFJVTNKCIUBJS-KONPQCLYSA-N	1	0	369.473	1.123	20	30		FDEDRO
CC(=O)N1CCC(CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1	ZINC000330209176	887214731	/nfs/dbraw/zinc/21/47/31/887214731.db2.gz	HIDBCZICTFZEOV-UHFFFAOYSA-N	1	0	362.478	1.734	20	30		FDEDRO
C[C@H](NC(=O)CNc1ccc(C#N)cn1)C1([NH+]2CCOCC2)CCCC1	ZINC000329046316	887268714	/nfs/dbraw/zinc/26/87/14/887268714.db2.gz	VAAXVGRHIKYCJV-HNNXBMFYSA-N	1	0	357.458	2.355	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](C[C@H](O)C2CCCCC2)C1	ZINC001031680881	887358651	/nfs/dbraw/zinc/35/86/51/887358651.db2.gz	UORJLZKLMCIENL-QYZOEREBSA-N	1	0	350.503	1.957	20	30		FDEDRO
Cn1nnc2c1C[C@H]([NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)CC2	ZINC000922989957	887686220	/nfs/dbraw/zinc/68/62/20/887686220.db2.gz	BSNXFDBFGPKZAY-GOSISDBHSA-N	1	0	350.470	1.798	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F	ZINC000923035535	887861197	/nfs/dbraw/zinc/86/11/97/887861197.db2.gz	MFJMYXUIJXUSMZ-PMPSAXMXSA-N	1	0	354.372	1.735	20	30		FDEDRO
Cc1cc(NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)nn1-c1cccc(F)c1	ZINC000329296050	887936117	/nfs/dbraw/zinc/93/61/17/887936117.db2.gz	SRWBUIFZVLXTOY-INIZCTEOSA-N	1	0	360.437	1.892	20	30		FDEDRO
COC[C@H]1COCCN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000923092994	888007709	/nfs/dbraw/zinc/00/77/09/888007709.db2.gz	WEZFXGJCBGWGMM-IBGZPJMESA-N	1	0	372.469	1.579	20	30		FDEDRO
C[NH+](C)CC[C@H](NS(=O)(=O)c1ccsc1C#N)c1cccnc1	ZINC000921479893	888052899	/nfs/dbraw/zinc/05/28/99/888052899.db2.gz	UZSBGPYTELHPCU-ZDUSSCGKSA-N	1	0	350.469	1.986	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CCC)cc2)C[C@H]1OC	ZINC001212257886	888071414	/nfs/dbraw/zinc/07/14/14/888071414.db2.gz	KKPVHQIEWNWKCM-NSISKUIASA-N	1	0	358.482	1.993	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC([C@H](C)NC(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC001005942533	888178841	/nfs/dbraw/zinc/17/88/41/888178841.db2.gz	DUZWNLAQQMDVPX-AFAVFJNCSA-N	1	0	357.458	1.193	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CN(CC)CCO2)C1	ZINC001005951385	888198486	/nfs/dbraw/zinc/19/84/86/888198486.db2.gz	OZEHWHSJLVXKBC-WCXIOVBPSA-N	1	0	361.486	1.312	20	30		FDEDRO
Cc1ccc2oc(C(=O)N3C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C3)cc2n1	ZINC001106903282	888300527	/nfs/dbraw/zinc/30/05/27/888300527.db2.gz	GSFGPFFBDGRPQJ-TZMCWYRMSA-N	1	0	369.425	1.074	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+]2CCCC2)c1	ZINC001005973762	888301824	/nfs/dbraw/zinc/30/18/24/888301824.db2.gz	HMYPCOVGSXLMSH-KURKYZTESA-N	1	0	352.438	1.020	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[C@H]3C(C)(C)C)C2)CC1	ZINC000938361854	888458994	/nfs/dbraw/zinc/45/89/94/888458994.db2.gz	IFKRNKKOMOXMOK-RCCFBDPRSA-N	1	0	359.514	1.731	20	30		FDEDRO
CC[N@H+](CCNC(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C)C(C)C	ZINC000462094046	888490809	/nfs/dbraw/zinc/49/08/09/888490809.db2.gz	PKCYKELGMLSONS-UHFFFAOYSA-N	1	0	355.446	2.299	20	30		FDEDRO
C=CCOCCCNC(=O)N[C@@H]1C[C@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O	ZINC000923278167	888722808	/nfs/dbraw/zinc/72/28/08/888722808.db2.gz	PRLAUFGEPGAHNA-YWTNHNAXSA-N	1	0	353.507	1.748	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1	ZINC000938597473	888881087	/nfs/dbraw/zinc/88/10/87/888881087.db2.gz	PLFFGWNDFKWVFC-BZSNNMDCSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cn(CCOC)nc2C)[C@H](OC)C1	ZINC001212272564	888957334	/nfs/dbraw/zinc/95/73/34/888957334.db2.gz	VFWWZKBFZARZBS-ZTFGCOKTSA-N	1	0	364.490	1.622	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)CN2C[C@@H](F)C[C@H]2C[NH2+]C)c(OC)c1	ZINC000923355481	888997385	/nfs/dbraw/zinc/99/73/85/888997385.db2.gz	MQFIVMZIMRKKNK-YESZJQIVSA-N	1	0	352.450	1.795	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCc2ccccn2)C[C@H]1C	ZINC001106907357	889049850	/nfs/dbraw/zinc/04/98/50/889049850.db2.gz	HLDAGJYSFZXUJA-IAGOWNOFSA-N	1	0	358.486	1.391	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@@H]([NH2+]CCO)C1	ZINC000923404397	889150049	/nfs/dbraw/zinc/15/00/49/889150049.db2.gz	JKYVRMRYTHYJAT-HZPDHXFCSA-N	1	0	351.516	1.698	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCN(C)S1(=O)=O)C2	ZINC001112543494	889254079	/nfs/dbraw/zinc/25/40/79/889254079.db2.gz	DGOAUFSRMUAGMU-BQFCYCMXSA-N	1	0	369.531	1.205	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1	ZINC000938781486	889297844	/nfs/dbraw/zinc/29/78/44/889297844.db2.gz	BASCGALQENWYQB-KSZLIROESA-N	1	0	363.502	1.369	20	30		FDEDRO
C[C@@H]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C[C@@H]1C[NH3+]	ZINC000415433614	889621940	/nfs/dbraw/zinc/62/19/40/889621940.db2.gz	GYNJOMPRUGIWKG-OLZOCXBDSA-N	1	0	356.405	2.332	20	30		FDEDRO
Cn1cc([C@@H]2[C@@H](CNc3ncc([N+](=O)[O-])cc3C#N)CCC[N@@H+]2C)cn1	ZINC000377701780	889627299	/nfs/dbraw/zinc/62/72/99/889627299.db2.gz	KXEOVDFOWKIWLY-WBMJQRKESA-N	1	0	355.402	2.090	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@H]1CCN(c2ccccc2)C1=O	ZINC001127608682	889723715	/nfs/dbraw/zinc/72/37/15/889723715.db2.gz	CHOQWLPWZGIGJZ-SQNIBIBYSA-N	1	0	357.454	1.479	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000938984441	889751574	/nfs/dbraw/zinc/75/15/74/889751574.db2.gz	RANIYZLZPMPADE-LSTHTHJFSA-N	1	0	367.493	1.610	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2cnc(Br)cn2)CC1	ZINC000923552591	889753158	/nfs/dbraw/zinc/75/31/58/889753158.db2.gz	AQLRDQILCFJGRE-UHFFFAOYSA-N	1	0	352.236	1.136	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccc(C)cc1F	ZINC001127612729	889903998	/nfs/dbraw/zinc/90/39/98/889903998.db2.gz	BNIULEIDQROIJI-PBHICJAKSA-N	1	0	363.433	1.760	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2nnn(C(C)(C)C)n2)[C@H](OC)C1	ZINC001212301368	889982387	/nfs/dbraw/zinc/98/23/87/889982387.db2.gz	OGSZZXBWKJNYGD-MGPQQGTHSA-N	1	0	350.467	1.212	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)CCCNC(=O)c2ccccc2OCC)C1	ZINC000923591342	890005328	/nfs/dbraw/zinc/00/53/28/890005328.db2.gz	WVMQNWNXYVXLHF-QGZVFWFLSA-N	1	0	371.481	1.809	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)[C@@H](n2ccnn2)C1	ZINC001129284514	890038160	/nfs/dbraw/zinc/03/81/60/890038160.db2.gz	QWGNDDFLNJTEOL-MANSERQUSA-N	1	0	366.469	1.785	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)Cc2cccs2)[C@@H](n2ccnn2)C1	ZINC001129288936	890065721	/nfs/dbraw/zinc/06/57/21/890065721.db2.gz	LOKHRTHFVORFKR-OIISXLGYSA-N	1	0	357.483	1.583	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)C3CC4(CCC4)C3)C2)CC1	ZINC000939143229	890110698	/nfs/dbraw/zinc/11/06/98/890110698.db2.gz	CROVSEYHOGIQJM-VQIMIIECSA-N	1	0	371.525	1.875	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1OC	ZINC001212323016	890127215	/nfs/dbraw/zinc/12/72/15/890127215.db2.gz	OIGZCSCCCXGBNP-HUUCEWRRSA-N	1	0	371.909	1.593	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)C1	ZINC000939244550	890271431	/nfs/dbraw/zinc/27/14/31/890271431.db2.gz	AIMLGYDVRODOEL-IIDMSEBBSA-N	1	0	371.485	1.585	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(NC(=O)C[N@H+]2CC[C@@H](C)C2)CCC1	ZINC001063205275	890295824	/nfs/dbraw/zinc/29/58/24/890295824.db2.gz	HLCJQWHLPFRASR-RYRKJORJSA-N	1	0	363.502	1.465	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCCN(c3ccc(C#N)nn3)C2)CC[N@@H+]1C	ZINC001063241168	890376793	/nfs/dbraw/zinc/37/67/93/890376793.db2.gz	OBVBVRRGCNHZHC-IXDOHACOSA-N	1	0	356.474	1.554	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1)OCC	ZINC001063272988	890406057	/nfs/dbraw/zinc/40/60/57/890406057.db2.gz	FVTZGQMHNXPXEI-BRWVUGGUSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1CN(CC(=O)N[C@@H](C)CCC)C[C@H]1OC	ZINC001212341244	890463562	/nfs/dbraw/zinc/46/35/62/890463562.db2.gz	XZWPZFDIRHUQDK-ARFHVFGLSA-N	1	0	353.507	1.709	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc(OC)c2)C[C@H]1C	ZINC001106915521	890992719	/nfs/dbraw/zinc/99/27/19/890992719.db2.gz	ZQFIUZZQQBJBQG-HLLBOEOZSA-N	1	0	357.454	1.131	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1CN([C@H]2CCN(c3ccccc3)C2=O)C[C@H]1OC	ZINC001212344528	891012760	/nfs/dbraw/zinc/01/27/60/891012760.db2.gz	AEKCDNGMELPQGI-CEXWTWQISA-N	1	0	371.481	1.964	20	30		FDEDRO
N#Cc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)c(F)c1	ZINC001001838559	891401278	/nfs/dbraw/zinc/40/12/78/891401278.db2.gz	AABDCWUWEFCUPV-CVEARBPZSA-N	1	0	358.417	1.147	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCC1CC[NH+](CC#Cc2ccccc2)CC1	ZINC001001843273	891421358	/nfs/dbraw/zinc/42/13/58/891421358.db2.gz	FJCGHKGIBQBZCS-VQTJNVASSA-N	1	0	367.493	1.591	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](C[C@H]2CCNC(=O)CC2)CC1	ZINC001001851041	891450734	/nfs/dbraw/zinc/45/07/34/891450734.db2.gz	KEOMDKDSPTYRSA-KURKYZTESA-N	1	0	363.502	1.322	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1	ZINC001001891439	891572622	/nfs/dbraw/zinc/57/26/22/891572622.db2.gz	VHTVDLUOZMKIJV-KURKYZTESA-N	1	0	363.502	1.415	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[NH+]3CCC2CC3)c1	ZINC001001896962	891582465	/nfs/dbraw/zinc/58/24/65/891582465.db2.gz	GSBHXFNSDHOXEW-HPFXQQBRSA-N	1	0	367.453	1.090	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[NH+]3CCC2CC3)[nH]1	ZINC001002090226	891913442	/nfs/dbraw/zinc/91/34/42/891913442.db2.gz	KUKKBDYQWYYYAO-AHCXZYCDSA-N	1	0	367.453	1.090	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(OC)cc(OC)c2)C[C@H]1C	ZINC001106916406	891937933	/nfs/dbraw/zinc/93/79/33/891937933.db2.gz	KWCJLRRFMQQOIR-NVXWUHKLSA-N	1	0	360.454	1.651	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1	ZINC000940309892	892251455	/nfs/dbraw/zinc/25/14/55/892251455.db2.gz	RXNOBBAQFZFQFM-HDMKZQKVSA-N	1	0	356.470	1.527	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3ccccc3c2)C[C@H]1C	ZINC001106917972	892320172	/nfs/dbraw/zinc/32/01/72/892320172.db2.gz	WWLQOYIISLXPKI-OXQOHEQNSA-N	1	0	363.461	1.887	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C	ZINC000940379175	892392823	/nfs/dbraw/zinc/39/28/23/892392823.db2.gz	CQWHIGYYYHZDSE-SZXPJGKVSA-N	1	0	372.469	1.315	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C	ZINC000940383094	892398294	/nfs/dbraw/zinc/39/82/94/892398294.db2.gz	JUXLCDUAPZWEBK-VQHPVUNQSA-N	1	0	363.502	1.415	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2occ3c2CCCC3)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106919828	892474140	/nfs/dbraw/zinc/47/41/40/892474140.db2.gz	FAFHTHCVXQJSLG-UKRRQHHQSA-N	1	0	358.442	1.096	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3[nH]ccc3s2)C[C@H]1C	ZINC001106923325	892609189	/nfs/dbraw/zinc/60/91/89/892609189.db2.gz	OOJIBUUIIKNXJO-CHWSQXEVSA-N	1	0	360.483	1.829	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2[nH]ccc2C)C3)CC1	ZINC001002341540	892618126	/nfs/dbraw/zinc/61/81/26/892618126.db2.gz	DJTBNFQGXDHOQK-KURKYZTESA-N	1	0	368.481	1.530	20	30		FDEDRO
C[C@@H]1CN(C(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C[C@@H](C)O1	ZINC000253603360	892625631	/nfs/dbraw/zinc/62/56/31/892625631.db2.gz	KIBQBRFISMGCRK-QZTJIDSGSA-N	1	0	370.497	1.702	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC[N@@H+]1C	ZINC000940651137	892839136	/nfs/dbraw/zinc/83/91/36/892839136.db2.gz	AXHAKDIKWBAWQZ-DOTOQJQBSA-N	1	0	357.458	1.291	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@H]1C	ZINC001106927474	892978229	/nfs/dbraw/zinc/97/82/29/892978229.db2.gz	QNZDIUHWWFDYRL-MGPQQGTHSA-N	1	0	357.445	1.490	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1	ZINC001002483514	893019894	/nfs/dbraw/zinc/01/98/94/893019894.db2.gz	DKQCUEKJLQFDOM-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2C)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106933594	893041735	/nfs/dbraw/zinc/04/17/35/893041735.db2.gz	ZPOVCAMHWQAPCQ-MISYRCLQSA-N	1	0	367.493	1.733	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(F)cc2)C[C@H]1C	ZINC001106940318	893123726	/nfs/dbraw/zinc/12/37/26/893123726.db2.gz	KTTXQYDKCFFFQW-BFYDXBDKSA-N	1	0	361.461	1.743	20	30		FDEDRO
COc1ccc(C#N)cc1CN1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1	ZINC001084231492	913776897	/nfs/dbraw/zinc/77/68/97/913776897.db2.gz	BXJFPAGELCUXDC-BHIYHBOVSA-N	1	0	368.481	1.694	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)C[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000940962601	893535821	/nfs/dbraw/zinc/53/58/21/893535821.db2.gz	PXKDDJFJQSDWQT-OTWHNJEPSA-N	1	0	357.498	1.485	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cn3c(n2)CC[C@H](C)C3)[C@H](OC)C1	ZINC001212455649	893573025	/nfs/dbraw/zinc/57/30/25/893573025.db2.gz	SYAFQHSFNKXEOJ-ZMSDIMECSA-N	1	0	362.474	1.097	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)COCc2cc[nH]c(=O)c2)[C@H](OC)C1	ZINC001212458755	893709395	/nfs/dbraw/zinc/70/93/95/893709395.db2.gz	OVRAWFPDLGERLP-USXIJHARSA-N	1	0	363.458	1.474	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)CC2CC[NH+](C)CC2)CC1	ZINC000941047909	893732634	/nfs/dbraw/zinc/73/26/34/893732634.db2.gz	MMWLRNHXGFOSEE-MSOLQXFVSA-N	1	0	363.502	1.370	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2	ZINC001002795767	893994404	/nfs/dbraw/zinc/99/44/04/893994404.db2.gz	MYDMJJJHUBSGEH-TUVASFSCSA-N	1	0	353.894	1.965	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(c3ccccc3)CC2)C[C@H]1C	ZINC001106952412	894320084	/nfs/dbraw/zinc/32/00/84/894320084.db2.gz	FOUAKFGWHGNDPE-IAGOWNOFSA-N	1	0	355.482	1.705	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC000941219762	894349685	/nfs/dbraw/zinc/34/96/85/894349685.db2.gz	DMZYGRHXAWZQTP-IAGOWNOFSA-N	1	0	358.486	1.689	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)C[C@H](OC)c1ccccc1	ZINC000922022524	894507933	/nfs/dbraw/zinc/50/79/33/894507933.db2.gz	MEYGKIYNMMBSQR-SFHVURJKSA-N	1	0	350.484	1.733	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC	ZINC000922024376	894561704	/nfs/dbraw/zinc/56/17/04/894561704.db2.gz	QCBCJOOZQOWRCR-UHFFFAOYSA-N	1	0	367.427	1.322	20	30		FDEDRO
C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)[C@@H]3C[C@H]3c3ccncc3)CC2)C1=O	ZINC001002848949	894595801	/nfs/dbraw/zinc/59/58/01/894595801.db2.gz	MSKVEBGRFYMZHM-IPMKNSEASA-N	1	0	368.481	1.553	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2csc(C)n2)C[C@H]1C	ZINC001106958146	895038468	/nfs/dbraw/zinc/03/84/68/895038468.db2.gz	RATQVRRCSRAJLI-UMVBOHGHSA-N	1	0	364.515	1.369	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C2C[NH+](CC3CC(F)(F)C3)C2)CC1	ZINC000941574593	895293427	/nfs/dbraw/zinc/29/34/27/895293427.db2.gz	KKWUNHZHENQDIV-SJORKVTESA-N	1	0	369.456	1.451	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@@H]1CCc2ccccc2C1)=[NH+]C1CCOCC1	ZINC000080864794	895858260	/nfs/dbraw/zinc/85/82/60/895858260.db2.gz	SHYYQPVYPRVPLZ-GOSISDBHSA-N	1	0	358.486	1.346	20	30		FDEDRO
COC(=O)CCN1CCN(C(=O)NCc2ccc(C#N)cc2F)[C@@H](C)C1	ZINC000183617784	896007506	/nfs/dbraw/zinc/00/75/06/896007506.db2.gz	NQYXUQXKQNOEPK-ZDUSSCGKSA-N	1	0	362.405	1.476	20	30		FDEDRO
C=C(Br)CN1CC(CNC(=O)[C@@H]2C[C@H]2c2cncn2C)C1	ZINC001031987446	896160770	/nfs/dbraw/zinc/16/07/70/896160770.db2.gz	OOEJHNXKGVTRFX-CHWSQXEVSA-N	1	0	353.264	1.480	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2cccc(NC(C)=O)c2)C1	ZINC001031987798	896175167	/nfs/dbraw/zinc/17/51/67/896175167.db2.gz	ZROUHNYRYCCFIG-MOPGFXCFSA-N	1	0	357.454	1.784	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@H](OC)C1	ZINC000942132836	896461641	/nfs/dbraw/zinc/46/16/41/896461641.db2.gz	MAKIQXRBWMDQSX-IXDOHACOSA-N	1	0	365.518	1.805	20	30		FDEDRO
N#Cc1cccc(CN2C[C@@H](NC(=O)c3ncsc3C3CC3)[C@@H](O)C2)c1	ZINC001083776357	896516047	/nfs/dbraw/zinc/51/60/47/896516047.db2.gz	QSXXOGKSLYZDFD-CVEARBPZSA-N	1	0	368.462	1.867	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)nn2)C1	ZINC000999993387	896535126	/nfs/dbraw/zinc/53/51/26/896535126.db2.gz	SFTRCXJUULYSEP-UKBAYJJMSA-N	1	0	353.470	1.767	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])c1	ZINC000903539550	896689713	/nfs/dbraw/zinc/68/97/13/896689713.db2.gz	DXVSUVYDHLUZRB-CRAIPNDOSA-N	1	0	363.483	1.494	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1	ZINC000672011086	896764764	/nfs/dbraw/zinc/76/47/64/896764764.db2.gz	FVOKRRYRJIXVOQ-HNNXBMFYSA-N	1	0	359.470	1.714	20	30		FDEDRO
C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)CC2(CCOCC2)C1	ZINC001089947299	896805861	/nfs/dbraw/zinc/80/58/61/896805861.db2.gz	BOOFSMYNDFJYIV-QRVBRYPASA-N	1	0	360.498	1.812	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000942447155	897015999	/nfs/dbraw/zinc/01/59/99/897015999.db2.gz	ASKVRUXLRDSJMK-OIISXLGYSA-N	1	0	354.410	1.256	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(c2cccc(C[NH2+]CCC)n2)C1	ZINC001128119380	897316198	/nfs/dbraw/zinc/31/61/98/897316198.db2.gz	UVMXNAKILDASOJ-KURKYZTESA-N	1	0	358.486	1.867	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCOc2cccc(C)c2)C[C@H]1C	ZINC001106977779	897318791	/nfs/dbraw/zinc/31/87/91/897318791.db2.gz	VJXZUDMVPPLXGY-QZTJIDSGSA-N	1	0	371.481	1.197	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1CN(Cc2csc(C)c2)C[C@H]1O	ZINC001078027903	897656471	/nfs/dbraw/zinc/65/64/71/897656471.db2.gz	OFHURBBTBPFOEN-IAGOWNOFSA-N	1	0	371.462	1.439	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)C[C@H]2O)cn1	ZINC001078032637	897677944	/nfs/dbraw/zinc/67/79/44/897677944.db2.gz	YEITUHUNRCXTNT-WOJBJXKFSA-N	1	0	360.417	1.519	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C	ZINC001212436723	897837400	/nfs/dbraw/zinc/83/74/00/897837400.db2.gz	GZYGEZJNOLZZMQ-QRVBRYPASA-N	1	0	358.486	1.460	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cncnc2C(C)C)C[C@H]1C	ZINC001106990786	897866995	/nfs/dbraw/zinc/86/69/95/897866995.db2.gz	BBGMBCHGHQNMOD-BZUAXINKSA-N	1	0	371.485	1.036	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1occc1C[NH+](C)C	ZINC001078072979	897877989	/nfs/dbraw/zinc/87/79/89/897877989.db2.gz	PZQUVNQEZIRDRH-IMJJTQAJSA-N	1	0	363.458	1.557	20	30		FDEDRO
C[N@@H+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2N(C(=O)c2ccc(C#N)[nH]2)CC3)C1	ZINC000995300000	898145585	/nfs/dbraw/zinc/14/55/85/898145585.db2.gz	DTHHIEUTKBEKJW-WIBUTAKZSA-N	1	0	369.469	1.339	20	30		FDEDRO
C[N@@H+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2N(C(=O)c2cc(C#N)c[nH]2)CC3)C1	ZINC000995300044	898146267	/nfs/dbraw/zinc/14/62/67/898146267.db2.gz	FHMBJBWUQZWADW-WRWLIDTKSA-N	1	0	369.469	1.339	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CCN(C(=O)Cc2cncn2C)C1	ZINC000942979733	898222777	/nfs/dbraw/zinc/22/27/77/898222777.db2.gz	LULCKDXDZHYQSH-UAGQMJEPSA-N	1	0	360.458	1.003	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1	ZINC000942983090	898236822	/nfs/dbraw/zinc/23/68/22/898236822.db2.gz	PESCGBNEJJSHCU-KSZLIROESA-N	1	0	363.502	1.369	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1O	ZINC001078228568	898438599	/nfs/dbraw/zinc/43/85/99/898438599.db2.gz	VXTRPTCNNCGWFG-CEXWTWQISA-N	1	0	356.470	1.094	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000943199822	898506708	/nfs/dbraw/zinc/50/67/08/898506708.db2.gz	NXDAPPACXIEBTM-FRFSOERESA-N	1	0	357.458	1.337	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000943200450	898509489	/nfs/dbraw/zinc/50/94/89/898509489.db2.gz	SKXSRYWTBXLLQH-SOLBZPMBSA-N	1	0	371.485	1.728	20	30		FDEDRO
N#Cc1cccc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3COc4ccccc43)C2)c1	ZINC001078273577	898570211	/nfs/dbraw/zinc/57/02/11/898570211.db2.gz	XNKFVHWHIOYTMJ-GUDVDZBRSA-N	1	0	363.417	1.396	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2snnc2C)C1	ZINC001078473800	898807447	/nfs/dbraw/zinc/80/74/47/898807447.db2.gz	LJBIGTYAJHGXHS-KFWWJZLASA-N	1	0	366.487	1.145	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)CCOC)C[C@H]1C	ZINC001107006417	899308846	/nfs/dbraw/zinc/30/88/46/899308846.db2.gz	LPQDNCKJGZGZFJ-RCCFBDPRSA-N	1	0	365.518	1.544	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1	ZINC001107015611	899546202	/nfs/dbraw/zinc/54/62/02/899546202.db2.gz	XMBAVULILKUJGC-IEBWSBKVSA-N	1	0	367.493	1.733	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C	ZINC000944104693	899863364	/nfs/dbraw/zinc/86/33/64/899863364.db2.gz	OXXYRMNHZHRBMG-TWMKSMIVSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C[NH2+]C/C=C/Cl)[C@H](C)C1	ZINC001107036697	900002308	/nfs/dbraw/zinc/00/23/08/900002308.db2.gz	PSXRCLOAFUSTDJ-JLVOYYQZSA-N	1	0	356.898	1.687	20	30		FDEDRO
CN1CC[NH+](CCC(C)(C)NC(=O)NCc2ccc(OCC#N)cc2)CC1	ZINC000185333183	900004893	/nfs/dbraw/zinc/00/48/93/900004893.db2.gz	BUCORXJNJYULBE-UHFFFAOYSA-N	1	0	373.501	1.804	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](c2cccnc2)N(C)C)C[C@H]1C	ZINC001107044666	900089123	/nfs/dbraw/zinc/08/91/23/900089123.db2.gz	LDSWCVXOTLOJJM-BHIYHBOVSA-N	1	0	360.502	1.571	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(CC#C)CCCCC2)C[C@H]1C	ZINC001107057274	900246798	/nfs/dbraw/zinc/24/67/98/900246798.db2.gz	UWBCSTISWZZVFV-GUDVDZBRSA-N	1	0	371.525	1.782	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]CC(=O)NC3CC3)[C@H](C)C2)CCCCC1	ZINC001107059097	900310095	/nfs/dbraw/zinc/31/00/95/900310095.db2.gz	RHFOSLSNVAVOPF-IAGOWNOFSA-N	1	0	359.514	1.923	20	30		FDEDRO
CN(C)C(=O)CNC(=[NH+]C1CCCC1)N(C)Cc1ccc2c(c1)OCO2	ZINC000185502398	900339231	/nfs/dbraw/zinc/33/92/31/900339231.db2.gz	FPHPTWIJLOBROA-UHFFFAOYSA-N	1	0	360.458	1.824	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC2CCCC2)[C@H](C)C1	ZINC001107062710	900376612	/nfs/dbraw/zinc/37/66/12/900376612.db2.gz	QEVJZMZVOCMKHS-IXDOHACOSA-N	1	0	365.518	1.711	20	30		FDEDRO
CC(C)OC[C@H](CO)[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N	ZINC000763876605	900452304	/nfs/dbraw/zinc/45/23/04/900452304.db2.gz	VMVIHCUMUPCDCP-HOTGVXAUSA-N	1	0	368.437	1.941	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(OCC)s2)[C@H](C)C1	ZINC001107065419	900455123	/nfs/dbraw/zinc/45/51/23/900455123.db2.gz	NNDCHYBERARHOD-MGPQQGTHSA-N	1	0	368.503	1.712	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CN(C)Cc2ccccc2)C[C@H]1C	ZINC001107075153	900529415	/nfs/dbraw/zinc/52/94/15/900529415.db2.gz	RTRQRDMZPWNSKD-UYAOXDASSA-N	1	0	357.498	1.452	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCCNC4=O)[C@@H]3C2)c1	ZINC001084427645	914460931	/nfs/dbraw/zinc/46/09/31/914460931.db2.gz	PCWOWOHROFYVAH-FGTMMUONSA-N	1	0	352.438	1.117	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnc(C(C)(C)C)nc2)C[C@H]1C	ZINC001107089908	900802737	/nfs/dbraw/zinc/80/27/37/900802737.db2.gz	CNEGDWOWIQSXAO-NVXWUHKLSA-N	1	0	358.486	1.722	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNc2cc(C)ncc2C#N)CC[N@@H+]1C	ZINC001063575061	900994255	/nfs/dbraw/zinc/99/42/55/900994255.db2.gz	KBEIKBDNYNUDFP-ZIFCJYIRSA-N	1	0	355.486	1.817	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1	ZINC001063752652	901112119	/nfs/dbraw/zinc/11/21/19/901112119.db2.gz	BJORQXQCLDQSPS-MDZRGWNJSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cnc(C(C)C)s2)C[C@H]1C	ZINC001107103845	901166166	/nfs/dbraw/zinc/16/61/66/901166166.db2.gz	PVAIFEOYPJQKIW-ZIAGYGMSSA-N	1	0	364.515	1.866	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CCN(c4ccnc(C#N)n4)C3)C2)CC[N@@H+]1C	ZINC001064650073	901519869	/nfs/dbraw/zinc/51/98/69/901519869.db2.gz	NWWTXNLSUVDFFZ-SPYBWZPUSA-N	1	0	354.458	1.117	20	30		FDEDRO
C[NH+](C)C1(CC(=O)N2CC[C@H]3CN(c4nccnc4C#N)C[C@H]32)CCCC1	ZINC001090345557	901760387	/nfs/dbraw/zinc/76/03/87/901760387.db2.gz	CCESEJDKKUBIBV-DOTOQJQBSA-N	1	0	368.485	1.650	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)n1	ZINC001090352243	901800425	/nfs/dbraw/zinc/80/04/25/901800425.db2.gz	XMNAGVNJDPIFON-GOEBONIOSA-N	1	0	354.458	1.036	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(C(=O)C#CC(C)(C)C)CCO2)CC[N@@H+]1C	ZINC001065141479	901877534	/nfs/dbraw/zinc/87/75/34/901877534.db2.gz	FXADIAFTGWRVKS-IXDOHACOSA-N	1	0	363.502	1.110	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)CC[C@H]1c1ccc(F)cc1	ZINC001079149699	901980597	/nfs/dbraw/zinc/98/05/97/901980597.db2.gz	GHFPWPBXNJJSTH-IPMKNSEASA-N	1	0	359.445	1.064	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccnn2C)CC[C@H]1c1ccc(F)cc1	ZINC001079151279	901984111	/nfs/dbraw/zinc/98/41/11/901984111.db2.gz	JNCRQVCBNFIDMM-RBUKOAKNSA-N	1	0	354.429	1.709	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](NCC#N)C2)CC[N@@H+]1C	ZINC001079152705	901988334	/nfs/dbraw/zinc/98/83/34/901988334.db2.gz	ZZFUVXOBXZLELZ-DQEVTTJGSA-N	1	0	358.461	1.964	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2nccn2CC)C1	ZINC001079133498	901992263	/nfs/dbraw/zinc/99/22/63/901992263.db2.gz	JZBSOMZSKIWJFR-RTBURBONSA-N	1	0	366.465	1.614	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C2CCC(O)CC2)C1	ZINC001079133718	901993875	/nfs/dbraw/zinc/99/38/75/901993875.db2.gz	XNRPBAZHVBEWPP-TZWRJOPASA-N	1	0	370.493	1.635	20	30		FDEDRO
C#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1	ZINC001079134751	901998785	/nfs/dbraw/zinc/99/87/85/901998785.db2.gz	PLOHZBZZHIOWEH-PWRODBHTSA-N	1	0	369.509	1.566	20	30		FDEDRO
C#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001079135908	902003265	/nfs/dbraw/zinc/00/32/65/902003265.db2.gz	ULXXFFUGQKCUJC-DOIPELPJSA-N	1	0	369.509	1.424	20	30		FDEDRO
C=CCCC(=O)N1CC[NH+](CCCCCNC(=O)[C@H]2CC[C@@H](C)O2)CC1	ZINC001079167287	902038794	/nfs/dbraw/zinc/03/87/94/902038794.db2.gz	VOHCWQCYUIBPHD-QZTJIDSGSA-N	1	0	365.518	1.951	20	30		FDEDRO
C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1c1cccc(F)c1	ZINC001079180202	902067091	/nfs/dbraw/zinc/06/70/91/902067091.db2.gz	GDTNOQZEZWQCHT-UYHISHBKSA-N	1	0	356.401	1.604	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@]2(CC)CCNC2=O)CC[C@H]1c1ccc(F)cc1	ZINC001079154827	902069772	/nfs/dbraw/zinc/06/97/72/902069772.db2.gz	YGXPGBQXJJFHTN-UEXGIBASSA-N	1	0	371.456	1.649	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[NH+](CCCCCNC(=O)[C@@H]2C[C@H]2C2CC2)CC1	ZINC001079160585	902083807	/nfs/dbraw/zinc/08/38/07/902083807.db2.gz	AUNUKYMXAUWDDY-RYQLBKOJSA-N	1	0	360.502	1.623	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nn(CC)nc2C)CC[C@H]1c1ccc(F)cc1	ZINC001079162696	902089811	/nfs/dbraw/zinc/08/98/11/902089811.db2.gz	WYRNHPZZISPVGM-ZWKOTPCHSA-N	1	0	369.444	1.967	20	30		FDEDRO
C#CC[NH+]1CCC(N2C(=O)N[C@H]3CN(C(=O)[C@@H]4C[C@H]4CC)CC[C@H]32)CC1	ZINC001079165335	902093548	/nfs/dbraw/zinc/09/35/48/902093548.db2.gz	ORAGPDWUQPOZLX-NRSFXHEJSA-N	1	0	358.486	1.125	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)=O)C[C@H]1c1cccc(F)c1	ZINC001079206912	902112617	/nfs/dbraw/zinc/11/26/17/902112617.db2.gz	DKQMOKRXVNRMNQ-OTWHNJEPSA-N	1	0	357.429	1.354	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2c(C)n[nH]c2C)C[C@H]1c1cccc(F)c1	ZINC001079209432	902117093	/nfs/dbraw/zinc/11/70/93/902117093.db2.gz	GSTLSKXGTCPQJU-RBUKOAKNSA-N	1	0	354.429	1.926	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC)C2)C[C@H]1c1cccc(F)c1	ZINC001079186495	902131742	/nfs/dbraw/zinc/13/17/42/902131742.db2.gz	ODAQESSGEYKGJA-RYQLBKOJSA-N	1	0	357.429	1.211	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3nc[nH]c3n2)C[C@H]1c1cccc(F)c1	ZINC001079188534	902137362	/nfs/dbraw/zinc/13/73/62/902137362.db2.gz	DKWJMPHMZAXSRB-MAUKXSAKSA-N	1	0	363.396	1.928	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3cc[nH]c(=O)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079233607	902168474	/nfs/dbraw/zinc/16/84/74/902168474.db2.gz	SSFIKWWHQCACNF-DLBZAZTESA-N	1	0	357.454	1.916	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cc(C)ncn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079237176	902179207	/nfs/dbraw/zinc/17/92/07/902179207.db2.gz	RJPCNBOOCZZZTF-FUHWJXTLSA-N	1	0	354.454	1.361	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3ccc(=O)[nH]n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079221167	902220421	/nfs/dbraw/zinc/22/04/21/902220421.db2.gz	QSTKHWONNMOXBE-GOEBONIOSA-N	1	0	358.442	1.311	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cn(C)nc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079228406	902242392	/nfs/dbraw/zinc/24/23/92/902242392.db2.gz	KUUXPTLRQGREJW-ZWKOTPCHSA-N	1	0	356.470	1.305	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC2(CC[NH+](CC3CCOCC3)CC2)[C@H]2COC[C@H]21	ZINC001079228500	902244255	/nfs/dbraw/zinc/24/42/55/902244255.db2.gz	OUKWWOWUQZFIFH-RYQLBKOJSA-N	1	0	361.486	1.512	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cnc4[nH]cnc4c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079244934	902250936	/nfs/dbraw/zinc/25/09/36/902250936.db2.gz	NIYGQNNJHALVSY-DOTOQJQBSA-N	1	0	367.453	1.697	20	30		FDEDRO
C=C(Br)CN1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1	ZINC001084403835	914607362	/nfs/dbraw/zinc/60/73/62/914607362.db2.gz	DYCRGSOMKPOIEK-ZIAGYGMSSA-N	1	0	356.308	1.912	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3n[nH]c4c3CCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079249936	902266098	/nfs/dbraw/zinc/26/60/98/902266098.db2.gz	CEQHYQXUBMMMDG-FUHWJXTLSA-N	1	0	368.481	1.475	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cccc4nccn43)[C@@H]3COC[C@@H]32)CC1	ZINC001079251439	902273132	/nfs/dbraw/zinc/27/31/32/902273132.db2.gz	XJEXHLFOIDXOAQ-FUHWJXTLSA-N	1	0	364.449	1.521	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)CC3=CCOCC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079258716	902293629	/nfs/dbraw/zinc/29/36/29/902293629.db2.gz	KPZIYUBBHSWUFV-RBUKOAKNSA-N	1	0	358.482	1.686	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ccn(C)c3CC)[C@@H]3COC[C@@H]32)CC1	ZINC001079259928	902295578	/nfs/dbraw/zinc/29/55/78/902295578.db2.gz	VZNQCTMWCNCSJR-PKOBYXMFSA-N	1	0	355.482	1.774	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cc(C4CC4)n[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079261723	902300023	/nfs/dbraw/zinc/30/00/23/902300023.db2.gz	FBPAFRDYIXNIKD-QFBILLFUSA-N	1	0	368.481	1.863	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cccc4c3OCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079261887	902302178	/nfs/dbraw/zinc/30/21/78/902302178.db2.gz	NNXURZBPCHDGKL-RBUKOAKNSA-N	1	0	366.461	1.808	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3ccc(C)[nH]c3=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079263789	902307938	/nfs/dbraw/zinc/30/79/38/902307938.db2.gz	LJROWPDRPQBUPP-DLBZAZTESA-N	1	0	357.454	1.835	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cncc(OC)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079265368	902310912	/nfs/dbraw/zinc/31/09/12/902310912.db2.gz	GFRZQMRGUJYPCZ-GOEBONIOSA-N	1	0	358.442	1.224	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3ccc(OC)nn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269040	902322899	/nfs/dbraw/zinc/32/28/99/902322899.db2.gz	BXUSYWGOZSBMBY-DOTOQJQBSA-N	1	0	370.453	1.062	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cn(CC)cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079270221	902328373	/nfs/dbraw/zinc/32/83/73/902328373.db2.gz	HTCBKJDVRCLLFO-FUHWJXTLSA-N	1	0	356.470	1.479	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cnn4cc[nH]c34)[C@@H]3COC[C@@H]32)CC1	ZINC001079271680	902334016	/nfs/dbraw/zinc/33/40/16/902334016.db2.gz	YWJNCYIGZIORKW-DLBZAZTESA-N	1	0	367.453	1.239	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@H](C)n3nc(C)cc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079274005	902355041	/nfs/dbraw/zinc/35/50/41/902355041.db2.gz	BLXZKUQTEPCXNO-GBESFXJTSA-N	1	0	370.497	1.634	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H](C)n3nc(C)cc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079274004	902355348	/nfs/dbraw/zinc/35/53/48/902355348.db2.gz	BLXZKUQTEPCXNO-CEXWTWQISA-N	1	0	370.497	1.634	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@H](C)c3cnn(C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079276568	902362598	/nfs/dbraw/zinc/36/25/98/902362598.db2.gz	QIMFAWLFFIZKPQ-BPQIPLTHSA-N	1	0	356.470	1.096	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]Cc2cncn2C)C1	ZINC001079286938	902381763	/nfs/dbraw/zinc/38/17/63/902381763.db2.gz	HFGRUCKUHAUSCL-QANKJYHBSA-N	1	0	355.417	1.803	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)C[C@H]1c1ccccc1F	ZINC001079289108	902387242	/nfs/dbraw/zinc/38/72/42/902387242.db2.gz	PMXBGXWEMSSNDQ-UHOSZYNNSA-N	1	0	361.461	1.616	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1c1ccccc1F	ZINC001079295508	902399411	/nfs/dbraw/zinc/39/94/11/902399411.db2.gz	KYPGJRLRPONTOM-AETAKHFUSA-N	1	0	359.445	1.810	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn(CC=C)nn2)C[C@H]1c1ccccc1F	ZINC001079314825	902408971	/nfs/dbraw/zinc/40/89/71/902408971.db2.gz	MXMSFCXCNMBUPS-DOTOQJQBSA-N	1	0	355.417	1.987	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c3c(nn2C)CCC3)C[C@H]1c1ccccc1F	ZINC001079318764	902419086	/nfs/dbraw/zinc/41/90/86/902419086.db2.gz	WUWSIULFJCSKNX-QFBILLFUSA-N	1	0	366.440	1.879	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH]nc3C2)C[C@H]1c1ccccc1F	ZINC001079322404	902425827	/nfs/dbraw/zinc/42/58/27/902425827.db2.gz	RNXIDURECRDNRY-GZRFBZBPSA-N	1	0	366.440	1.871	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001079447032	902621839	/nfs/dbraw/zinc/62/18/39/902621839.db2.gz	AOSCQUSVDWLKGR-HLLBOEOZSA-N	1	0	351.491	1.367	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC001079543414	902776593	/nfs/dbraw/zinc/77/65/93/902776593.db2.gz	ADMAAXPMTVNUSH-DKSSEZFCSA-N	1	0	352.438	1.540	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]([NH2+]Cc3ccc(C#N)cc3)C(C)(C)C2)O1	ZINC000995958595	902788138	/nfs/dbraw/zinc/78/81/38/902788138.db2.gz	NKNJCQOZWHUDEO-LZQZEXGQSA-N	1	0	370.497	1.604	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC001079592768	902875107	/nfs/dbraw/zinc/87/51/07/902875107.db2.gz	XSEPIJKPXCWDSC-SJKOYZFVSA-N	1	0	363.425	1.418	20	30		FDEDRO
CC1CC[NH+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(C#N)c[nH]2)C3)CC1	ZINC000996024577	902908787	/nfs/dbraw/zinc/90/87/87/902908787.db2.gz	XIIUGZNKLPEJTB-RYRKJORJSA-N	1	0	369.469	1.480	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001079690250	903056972	/nfs/dbraw/zinc/05/69/72/903056972.db2.gz	SVELIATVONRNRR-FCEWJHQRSA-N	1	0	351.491	1.103	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(C#N)[nH]2)C3)C1	ZINC000996108576	903111077	/nfs/dbraw/zinc/11/10/77/903111077.db2.gz	LXTYMBZZAYWETR-PVAVHDDUSA-N	1	0	369.469	1.480	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c[nH]c(C#N)c2)C3)C1	ZINC000996122319	903151158	/nfs/dbraw/zinc/15/11/58/903151158.db2.gz	MNMRGUJSWUVDPS-IEAZIUSSSA-N	1	0	355.442	1.090	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1CN(C(=O)C[N@H+](C)C(C)C)C1	ZINC001079858882	903541607	/nfs/dbraw/zinc/54/16/07/903541607.db2.gz	WYTAYJZEEMMCPR-SJORKVTESA-N	1	0	351.491	1.367	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1C	ZINC001079878009	903600657	/nfs/dbraw/zinc/60/06/57/903600657.db2.gz	ATUCJQQFYLQBCJ-RLLQIKCJSA-N	1	0	361.530	1.727	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1(C)C	ZINC000996299040	903634237	/nfs/dbraw/zinc/63/42/37/903634237.db2.gz	QFLSVWWYNXUMRY-IXDOHACOSA-N	1	0	363.502	1.559	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C(C)(C)C1	ZINC000996311718	903674004	/nfs/dbraw/zinc/67/40/04/903674004.db2.gz	ULQPDJNXUHFBCK-FGTMMUONSA-N	1	0	368.481	1.609	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]([NH2+]CC(=O)N2CCCCC2)C(C)(C)C1	ZINC000996329690	903707611	/nfs/dbraw/zinc/70/76/11/903707611.db2.gz	IHFQWMIAHKDMCM-IKGGRYGDSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]([NH2+]CCc2ccnn2C)C(C)(C)C1	ZINC000996401108	903851234	/nfs/dbraw/zinc/85/12/34/903851234.db2.gz	JHDAQJSMNFIZTI-BZSNNMDCSA-N	1	0	360.502	1.770	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)cc1C#N	ZINC001080019993	903907055	/nfs/dbraw/zinc/90/70/55/903907055.db2.gz	CYWBAEZGDKSIOK-FRFSOERESA-N	1	0	370.453	1.030	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1cccc2ncnn21	ZINC001080058966	903954493	/nfs/dbraw/zinc/95/44/93/903954493.db2.gz	JRDRQYIEYZYOTR-RHSMWYFYSA-N	1	0	360.421	1.851	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccccc3C)CCC[C@@H]12	ZINC001107262474	904198267	/nfs/dbraw/zinc/19/82/67/904198267.db2.gz	XJLMGCVVLWJIMW-WIYYLYMNSA-N	1	0	353.466	1.719	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)COCC)CCC[C@@H]12	ZINC001107270683	904249579	/nfs/dbraw/zinc/24/95/79/904249579.db2.gz	IDPQQSAQLBPCTA-YLJYHZDGSA-N	1	0	363.502	1.584	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3c3ccncc3)CC2)C1=O	ZINC000996606933	904340828	/nfs/dbraw/zinc/34/08/28/904340828.db2.gz	KUKBKTWSNNNCRZ-OTWHNJEPSA-N	1	0	368.481	1.553	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CSCCC)CCC[C@@H]12	ZINC001107303358	904388317	/nfs/dbraw/zinc/38/83/17/904388317.db2.gz	QNMOMYMFGJHNRZ-CRAIPNDOSA-N	1	0	353.532	1.793	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCn1cncn1)CC2	ZINC001107318705	904445260	/nfs/dbraw/zinc/44/52/60/904445260.db2.gz	WUPBSXNVXBKNKZ-YQVWRLOYSA-N	1	0	361.490	1.620	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCCCOC)CCC[C@@H]12	ZINC001107321200	904453722	/nfs/dbraw/zinc/45/37/22/904453722.db2.gz	NMORNDZNIWVMGG-VQIMIIECSA-N	1	0	351.491	1.466	20	30		FDEDRO
CCC(=O)NCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccc1C#N)CC2	ZINC001107331913	904469104	/nfs/dbraw/zinc/46/91/04/904469104.db2.gz	PUKQFOKIJRURFZ-WIYYLYMNSA-N	1	0	368.481	1.945	20	30		FDEDRO
C=CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC[C@@H]1CCOC1)CC2	ZINC001107327213	904483943	/nfs/dbraw/zinc/48/39/43/904483943.db2.gz	SMVVBHXAEGRKKX-SQGPQFPESA-N	1	0	363.502	1.466	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)CCC[C@@H]12	ZINC001107347752	904547409	/nfs/dbraw/zinc/54/74/09/904547409.db2.gz	CZSGNJQOQWRVAF-AJBNAHFZSA-N	1	0	357.498	1.533	20	30		FDEDRO
C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1=CCCCC1)CC2	ZINC001107366380	904571382	/nfs/dbraw/zinc/57/13/82/904571382.db2.gz	AXVCYDYRPHVENT-WIYYLYMNSA-N	1	0	357.498	1.987	20	30		FDEDRO
C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccc(C)cc1)CC2	ZINC001107366497	904572761	/nfs/dbraw/zinc/57/27/61/904572761.db2.gz	HEIHDUKRMRXJGD-DENIHFKCSA-N	1	0	367.493	1.995	20	30		FDEDRO
C[C@H](NC(N)=O)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccc(C#N)c1)CC2	ZINC001107377264	904614167	/nfs/dbraw/zinc/61/41/67/904614167.db2.gz	COSNQSOWPAVGFY-JNAXZKDPSA-N	1	0	369.469	1.476	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)/C=C/c3ccc[nH]3)CCC[C@@H]12	ZINC001107380818	904647887	/nfs/dbraw/zinc/64/78/87/904647887.db2.gz	ABBONYKBPWOMNA-JCTQASJRSA-N	1	0	356.470	1.691	20	30		FDEDRO
CC(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H]1CCS(=O)(=O)C1)CC2	ZINC001107396678	904710806	/nfs/dbraw/zinc/71/08/06/904710806.db2.gz	GXRUGBNEACILDM-ZHALLVOQSA-N	1	0	366.527	1.441	20	30		FDEDRO
O=C(C#CC1CC1)NC[C@]12CCC[C@H]1[N@H+](CCOC[C@@H]1CCCO1)CC2	ZINC001107400018	904731975	/nfs/dbraw/zinc/73/19/75/904731975.db2.gz	VWDCLUKMHNOQIQ-QKNQBKEWSA-N	1	0	360.498	1.956	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1CCCN(C(N)=O)C1	ZINC001080075980	904734352	/nfs/dbraw/zinc/73/43/52/904734352.db2.gz	SCQHYXFWHLZORI-ZTFGCOKTSA-N	1	0	369.469	1.285	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc(OC)ncn3)CCC[C@@H]12	ZINC001107409397	904771112	/nfs/dbraw/zinc/77/11/12/904771112.db2.gz	SWBGVBQMSXVYCU-VQIMIIECSA-N	1	0	358.442	1.109	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccn4ccccc34)C2)C1=O	ZINC001080107139	904773248	/nfs/dbraw/zinc/77/32/48/904773248.db2.gz	QCAIZSHNILTIEP-SUMDDJOVSA-N	1	0	366.465	1.776	20	30		FDEDRO
C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccnc1OC)CC2	ZINC001107401202	904775522	/nfs/dbraw/zinc/77/55/22/904775522.db2.gz	CBWHHCVPKLDLGB-HGHGUNKESA-N	1	0	371.481	1.989	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)NC(=O)CC(F)(F)F)CCC[C@@H]12	ZINC001107417894	904791995	/nfs/dbraw/zinc/79/19/95/904791995.db2.gz	SUKBTBFBMFIXBB-XJKCOSOUSA-N	1	0	359.392	1.438	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)NCCCC(=O)N1CCN(c2ccccc2)CC1	ZINC000764508938	904854444	/nfs/dbraw/zinc/85/44/44/904854444.db2.gz	WWINAAMHYXZWLJ-UHFFFAOYSA-N	1	0	358.486	1.349	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1coc(C(N)=O)c1	ZINC001080191018	904859281	/nfs/dbraw/zinc/85/92/81/904859281.db2.gz	RZZDOFBSOFFOKY-MLGOLLRUSA-N	1	0	352.394	1.500	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)Cn4nccn4)CCC[C@@H]23)s1	ZINC001107422966	904874291	/nfs/dbraw/zinc/87/42/91/904874291.db2.gz	SOYHIJCYMHHCCI-SJLPKXTDSA-N	1	0	370.482	1.772	20	30		FDEDRO
CO[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C(C)C	ZINC001081658877	904888524	/nfs/dbraw/zinc/88/85/24/904888524.db2.gz	CXLZRXOQRWVRHW-NJDAHSKKSA-N	1	0	369.509	1.726	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3(CC#C)CCC3)CCC[C@@H]12	ZINC001107433319	904890494	/nfs/dbraw/zinc/89/04/94/904890494.db2.gz	ZLJDKCYEWGEZAB-DYESRHJHSA-N	1	0	355.482	1.290	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3cnccc3C)CCC[C@@H]12	ZINC001107440978	904926247	/nfs/dbraw/zinc/92/62/47/904926247.db2.gz	FABAUMVSAVVBPN-TZIWHRDSSA-N	1	0	355.482	1.943	20	30		FDEDRO
C=C1CC(C)(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[NH+]4CCC2CC4)C3)C1	ZINC000996719230	904993949	/nfs/dbraw/zinc/99/39/49/904993949.db2.gz	IDXWZVIPDLVDRV-OWSLCNJRSA-N	1	0	357.498	1.933	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCS(=O)(=O)C3)CCC[C@@H]12	ZINC001107466408	905042083	/nfs/dbraw/zinc/04/20/83/905042083.db2.gz	IKGQCRRRCKHHEZ-LZLYRXPVSA-N	1	0	354.516	1.748	20	30		FDEDRO
CC(C)N1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)C1	ZINC001080324938	905156347	/nfs/dbraw/zinc/15/63/47/905156347.db2.gz	KCXFMSXPAYYVTE-NSISKUIASA-N	1	0	370.497	1.604	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](CCC)S(N)(=O)=O)CCC[C@@H]12	ZINC001107484967	905157430	/nfs/dbraw/zinc/15/74/30/905157430.db2.gz	CQJVUSJEIMOWOJ-LZLYRXPVSA-N	1	0	371.547	1.771	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(cc[nH]c3=O)n2)[C@H](OC)C1	ZINC001081871835	905180675	/nfs/dbraw/zinc/18/06/75/905180675.db2.gz	CRGHZBOVQKTAKP-IAGOWNOFSA-N	1	0	356.426	1.731	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CCCS3(=O)=O)CCC[C@@H]12	ZINC001107488283	905208763	/nfs/dbraw/zinc/20/87/63/905208763.db2.gz	BELALECARAAYBN-JFIYKMOQSA-N	1	0	354.516	1.891	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)CCC[C@@H]12	ZINC001107491861	905225073	/nfs/dbraw/zinc/22/50/73/905225073.db2.gz	OAWFNDZMAAAEAW-DNVCBOLYSA-N	1	0	360.458	1.676	20	30		FDEDRO
C#CCCCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2	ZINC001107500842	905242455	/nfs/dbraw/zinc/24/24/55/905242455.db2.gz	VJNKTCBOXWXNRF-UYAOXDASSA-N	1	0	350.503	1.940	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3Cc4ccccc43)CCC[C@@H]12	ZINC001107522447	905298620	/nfs/dbraw/zinc/29/86/20/905298620.db2.gz	BRNNNBDUJFBUGE-NNMXDRDESA-N	1	0	365.477	1.437	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(N)=O)CC2	ZINC001107515518	905314678	/nfs/dbraw/zinc/31/46/78/905314678.db2.gz	VOSWNSMZDTXFQG-PMUMKWKESA-N	1	0	350.463	1.144	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccn(C)c3C)CCC[C@@H]12	ZINC001107534255	905408672	/nfs/dbraw/zinc/40/86/72/905408672.db2.gz	LOGZKRZIUHSYCF-YLJYHZDGSA-N	1	0	356.470	1.057	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nc(=O)n(C)[nH]1)CC2	ZINC001107536239	905415677	/nfs/dbraw/zinc/41/56/77/905415677.db2.gz	IXCFGJNPIXRSPL-NIKGAXFTSA-N	1	0	361.490	1.572	20	30		FDEDRO
CC1(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)CCCCC1	ZINC001107530613	905439055	/nfs/dbraw/zinc/43/90/55/905439055.db2.gz	CEDIBDSWECGHMU-OXQOHEQNSA-N	1	0	360.502	1.957	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3conc3C3CC3)CCC[C@@H]12	ZINC001107542090	905459145	/nfs/dbraw/zinc/45/91/45/905459145.db2.gz	YPXZESFAZQGLDV-OXQOHEQNSA-N	1	0	370.453	1.276	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)NC(C)=O)CCC[C@@H]12	ZINC001107557873	905587162	/nfs/dbraw/zinc/58/71/62/905587162.db2.gz	MARJEBKIPZIIAM-ZHALLVOQSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)NS(C)(=O)=O)CCC[C@@H]12	ZINC001107571304	905652050	/nfs/dbraw/zinc/65/20/50/905652050.db2.gz	UYUFWYFFSJQXPZ-CRAIPNDOSA-N	1	0	371.547	1.641	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4cccnn43)CCC[C@@H]12	ZINC001107570149	905692045	/nfs/dbraw/zinc/69/20/45/905692045.db2.gz	UJPHQOUIXBTYLM-YLJYHZDGSA-N	1	0	369.469	1.906	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)Cc3ccsc3C)C2)C1=O	ZINC001080564655	905700281	/nfs/dbraw/zinc/70/02/81/905700281.db2.gz	XVHJDNCYYQFMPZ-XYPHTWIQSA-N	1	0	361.511	1.822	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]2C)cc1	ZINC001080575137	905725897	/nfs/dbraw/zinc/72/58/97/905725897.db2.gz	GYQANIVUUWNUEH-RVKKMQEKSA-N	1	0	357.454	1.225	20	30		FDEDRO
CCc1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC#CCOC)CC3)n(C)n1	ZINC001107583108	905748150	/nfs/dbraw/zinc/74/81/50/905748150.db2.gz	QAYWCXHLVYUTOZ-UYAOXDASSA-N	1	0	358.486	1.607	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)C[C@H]1CCC(=O)N1	ZINC001080602239	905764454	/nfs/dbraw/zinc/76/44/54/905764454.db2.gz	GUOXLSAQTIAOTO-QGPMSJSTSA-N	1	0	370.453	1.194	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C(N)=O)c[nH]3)CCC[C@@H]12	ZINC001107585891	905830590	/nfs/dbraw/zinc/83/05/90/905830590.db2.gz	VBFKFZMCKYFALU-VQIMIIECSA-N	1	0	360.458	1.291	20	30		FDEDRO
CCC1(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)CCCC1	ZINC001107596401	905856380	/nfs/dbraw/zinc/85/63/80/905856380.db2.gz	DGTNCNZUZJCUPI-OXQOHEQNSA-N	1	0	360.502	1.957	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C	ZINC001082133990	905936530	/nfs/dbraw/zinc/93/65/30/905936530.db2.gz	XCALVFGGONYDAB-IAOVAPTHSA-N	1	0	362.499	1.419	20	30		FDEDRO
C=CCCOCC(=O)N1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001082137202	905950699	/nfs/dbraw/zinc/95/06/99/905950699.db2.gz	OHFKARQYQZCBPB-OKZBNKHCSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)CCC(=O)NCCC)CCC[C@@H]12	ZINC001107611956	905974605	/nfs/dbraw/zinc/97/46/05/905974605.db2.gz	LPKJVMFDIPYCLZ-YLJYHZDGSA-N	1	0	365.518	1.856	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2C)C[C@H]1OC	ZINC001082150414	905994127	/nfs/dbraw/zinc/99/41/27/905994127.db2.gz	GRRNYKSJSUAYRW-FTEYMNFISA-N	1	0	374.481	1.780	20	30		FDEDRO
Cc1cc(C)cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)c1	ZINC001107617739	906015403	/nfs/dbraw/zinc/01/54/03/906015403.db2.gz	QUBJBTOIBIPEFR-WIYYLYMNSA-N	1	0	368.481	1.918	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CN(C(C)=O)CCO3)CCC[C@@H]12	ZINC001107622922	906028154	/nfs/dbraw/zinc/02/81/54/906028154.db2.gz	HJUSZQQSUVRVLV-QWFCFKBJSA-N	1	0	363.502	1.561	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCNC(=O)c3ccco3)CCC[C@@H]12	ZINC001107627159	906085768	/nfs/dbraw/zinc/08/57/68/906085768.db2.gz	HWGOZGWGXWNACS-YLJYHZDGSA-N	1	0	357.454	1.784	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)CCNC(N)=O)CCC[C@@H]23)cc1	ZINC001107628747	906105927	/nfs/dbraw/zinc/10/59/27/906105927.db2.gz	FLPRPNJWWZBURJ-YLJYHZDGSA-N	1	0	369.469	1.477	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CS(=O)(=O)NC(C)(C)C)CCC[C@@H]12	ZINC001107636910	906138957	/nfs/dbraw/zinc/13/89/57/906138957.db2.gz	KNSULFISIIUMGP-CRAIPNDOSA-N	1	0	369.531	1.088	20	30		FDEDRO
CCc1ncncc1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC#CCOC)CC2	ZINC001107632928	906150089	/nfs/dbraw/zinc/15/00/89/906150089.db2.gz	FYWRQYHPMFULPS-UYAOXDASSA-N	1	0	356.470	1.663	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3cccc4c3CCOC4)C[C@H]2O)C1	ZINC001077645774	906174786	/nfs/dbraw/zinc/17/47/86/906174786.db2.gz	WSBIGKPINHFGAO-RTBURBONSA-N	1	0	356.466	1.777	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](Cc3c(C)cc(C)cc3C)C[C@H]2O)c1	ZINC001077648029	906204910	/nfs/dbraw/zinc/20/49/10/906204910.db2.gz	YPZHDCJMEWVHON-NHCUHLMSSA-N	1	0	363.461	1.963	20	30		FDEDRO
C=CCCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N[C@H](C)CC)CC2	ZINC001107649351	906283453	/nfs/dbraw/zinc/28/34/53/906283453.db2.gz	UBZYKEPRJQXILB-MBOZVWFJSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C)c3)C[C@H]2OC)nn1	ZINC001082212864	906296112	/nfs/dbraw/zinc/29/61/12/906296112.db2.gz	GNHFGEQIJDFFTA-SJLPKXTDSA-N	1	0	355.442	1.402	20	30		FDEDRO
C[C@@H]1CN(Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C12CC[NH+](CC1)C2	ZINC001080787730	906313040	/nfs/dbraw/zinc/31/30/40/906313040.db2.gz	PKQPDUOCWASMKV-RDTXWAMCSA-N	1	0	356.445	1.730	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2(N3CCOCC3)CCC2)[C@H](OC)C1	ZINC001082285785	906627128	/nfs/dbraw/zinc/62/71/28/906627128.db2.gz	PDEZOGQMFFNNLX-IAGOWNOFSA-N	1	0	351.491	1.023	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)c1ccn(C)n1	ZINC001080937576	906740839	/nfs/dbraw/zinc/74/08/39/906740839.db2.gz	RNFLUCUSVOMGTO-RDTXWAMCSA-N	1	0	353.426	1.573	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCCO3)C[C@H]2OC)cn1	ZINC001082333733	906828611	/nfs/dbraw/zinc/82/86/11/906828611.db2.gz	WZDUQHWQDSFCIE-GUDVDZBRSA-N	1	0	357.454	1.451	20	30		FDEDRO
C#CCC[NH2+][C@H]1CCN(c2cccc(CNC(=O)[C@@H]3C[C@H]3C3CC3)n2)C1	ZINC001127851959	906888029	/nfs/dbraw/zinc/88/80/29/906888029.db2.gz	IJSBBDQQKCRISB-GBESFXJTSA-N	1	0	352.482	1.936	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3nnc(C)s3)C[C@H]2C)CC1	ZINC001080997856	906974053	/nfs/dbraw/zinc/97/40/53/906974053.db2.gz	MRRKBCIJGGHOKL-CZUORRHYSA-N	1	0	361.515	1.128	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1cc(C(N)=O)ccn1	ZINC001081066824	907085389	/nfs/dbraw/zinc/08/53/89/907085389.db2.gz	JXULPURKJCFYQE-FZKQIMNGSA-N	1	0	363.421	1.302	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1	ZINC000765438558	907125568	/nfs/dbraw/zinc/12/55/68/907125568.db2.gz	QQQYHLMDKACZIP-CQSZACIVSA-N	1	0	366.462	1.117	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccn(C)c(=O)c2)CC1	ZINC000997083360	907213823	/nfs/dbraw/zinc/21/38/23/907213823.db2.gz	GIFYZCDCBVOBII-HKUYNNGSSA-N	1	0	359.470	1.447	20	30		FDEDRO
C[NH+](C)CCn1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](NCC#N)C2)n1	ZINC001081118545	907223684	/nfs/dbraw/zinc/22/36/84/907223684.db2.gz	JFWRJTHEJJJJMG-PKOBYXMFSA-N	1	0	366.469	1.166	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn(CCOC)c2C)C[C@H]1c1ccccc1	ZINC001081117229	907224318	/nfs/dbraw/zinc/22/43/18/907224318.db2.gz	XQMMNPLZLMKOOF-VQTJNVASSA-N	1	0	366.465	1.669	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2nc(OC)cc(OC)n2)C[C@H]1c1ccccc1	ZINC001081134265	907236732	/nfs/dbraw/zinc/23/67/32/907236732.db2.gz	RIUZIPYGSZOVFV-JKSUJKDBSA-N	1	0	368.437	1.878	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1c1ccccc1	ZINC001081151245	907264196	/nfs/dbraw/zinc/26/41/96/907264196.db2.gz	CTAADQSCGOALQF-WKWVNEEDSA-N	1	0	354.450	1.255	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3nnn(C)c3C2)C[C@H]1c1ccccc1	ZINC001081168121	907289659	/nfs/dbraw/zinc/28/96/59/907289659.db2.gz	ICQYNQFBFZGQAU-JENIJYKNSA-N	1	0	365.481	1.690	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@H]1c1ccccc1	ZINC001081170843	907294253	/nfs/dbraw/zinc/29/42/53/907294253.db2.gz	RAGOJRSAATZZNM-RBUKOAKNSA-N	1	0	354.454	1.959	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(P(C)(C)=O)cc2)[C@H](OC)C1	ZINC001082381578	907355375	/nfs/dbraw/zinc/35/53/75/907355375.db2.gz	RUAJIEOFZXYYOU-IAGOWNOFSA-N	1	0	350.399	1.940	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)NCCC[NH+](CC)CC)c1	ZINC000929216676	907369203	/nfs/dbraw/zinc/36/92/03/907369203.db2.gz	FMUGWBUXFLQTSM-UHFFFAOYSA-N	1	0	350.484	1.945	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2[nH]nnc2-c2ccccc2)[C@H](OC)C1	ZINC001082386410	907412268	/nfs/dbraw/zinc/41/22/68/907412268.db2.gz	FZAPRGBKYIKCSR-HZPDHXFCSA-N	1	0	355.442	1.867	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(C)nn3cccnc23)C[C@H]1c1ccccc1	ZINC001081228960	907426230	/nfs/dbraw/zinc/42/62/30/907426230.db2.gz	GHIGUCRNCFHPPS-ZWKOTPCHSA-N	1	0	359.433	1.869	20	30		FDEDRO
C#CCC[NH2+]Cc1ccncc1O[C@H]1CCN(C(=O)[C@H]2OCC[C@H]2CC)C1	ZINC001127888650	907495278	/nfs/dbraw/zinc/49/52/78/907495278.db2.gz	URGGFFDSALACMR-KPFFTGBYSA-N	1	0	371.481	1.989	20	30		FDEDRO
N#CCOc1ccc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CC34CCC4)C2)cc1	ZINC001077749591	907502610	/nfs/dbraw/zinc/50/26/10/907502610.db2.gz	YQGYVHMKBGNBAA-KZNAEPCWSA-N	1	0	355.438	1.440	20	30		FDEDRO
CO[C@@H]1CN(Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C	ZINC001081435512	907572175	/nfs/dbraw/zinc/57/21/75/907572175.db2.gz	VPJZWJFXOVRIHT-KZNAEPCWSA-N	1	0	360.433	1.107	20	30		FDEDRO
Cc1cnc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)cn1	ZINC001082413442	907631429	/nfs/dbraw/zinc/63/14/29/907631429.db2.gz	HQYFWHJOSOMVLV-AUUYWEPGSA-N	1	0	365.437	1.938	20	30		FDEDRO
CO[C@@H]1CN(Cc2oc(C(C)C)nc2C)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC001081498365	907692833	/nfs/dbraw/zinc/69/28/33/907692833.db2.gz	ZLNBTJCRVRLDQQ-NVXWUHKLSA-N	1	0	371.441	1.935	20	30		FDEDRO
O=S(=O)(c1ccccc1N=NC1CC[N@@H+]2CCC[C@@H]12)N1CCOCC1	ZINC000765582714	907700529	/nfs/dbraw/zinc/70/05/29/907700529.db2.gz	YVFNTBVDCSTCPJ-INIZCTEOSA-N	1	0	364.471	1.344	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cn(C)nc3C)C[C@H]2C)cc1C#N	ZINC001082451682	907731378	/nfs/dbraw/zinc/73/13/78/907731378.db2.gz	RDWSBVAEHGMJCN-FZKQIMNGSA-N	1	0	367.453	1.859	20	30		FDEDRO
Cc1nn(C)cc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC001082451656	907732128	/nfs/dbraw/zinc/73/21/28/907732128.db2.gz	OSHKQOTXBXNGTM-KZULUSFZSA-N	1	0	355.417	1.990	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1[NH2+]Cc1ccnc(N(C)C)c1	ZINC001082483570	907906816	/nfs/dbraw/zinc/90/68/16/907906816.db2.gz	PXHCHUKHGMTQTP-CXAGYDPISA-N	1	0	352.442	1.598	20	30		FDEDRO
COc1cccc([C@H](O)C[NH2+][C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)c1	ZINC001082482108	907958094	/nfs/dbraw/zinc/95/80/94/907958094.db2.gz	QIYVMKVHJMTKKV-UPRAQXHNSA-N	1	0	368.437	1.679	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082490890	908000208	/nfs/dbraw/zinc/00/02/08/908000208.db2.gz	MYRDXFHIGCKIPX-FZKQIMNGSA-N	1	0	355.417	1.610	20	30		FDEDRO
C[C@H](C#N)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1C[NH+](C)C)C2	ZINC000997213753	908037629	/nfs/dbraw/zinc/03/76/29/908037629.db2.gz	YROJWZNZAZXCPT-RZFFKMDDSA-N	1	0	360.483	1.831	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082517549	908199440	/nfs/dbraw/zinc/19/94/40/908199440.db2.gz	SRAUTUGUWZLYJR-DTTOXWODSA-N	1	0	354.454	1.409	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cccn3nnnc23)C[C@H]1C	ZINC001082533089	908295774	/nfs/dbraw/zinc/29/57/74/908295774.db2.gz	DHSSNWJSPTUJIW-BXKDBHETSA-N	1	0	365.235	1.083	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CCCC2)CC1	ZINC000997356349	908311148	/nfs/dbraw/zinc/31/11/48/908311148.db2.gz	CZNODGDGJHFRBV-QYZOEREBSA-N	1	0	357.498	1.770	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@H]2CCOC2)CC1	ZINC000997358092	908314772	/nfs/dbraw/zinc/31/47/72/908314772.db2.gz	WAWQULMJOWLNAN-YSHGAJCASA-N	1	0	373.497	1.006	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccsc2)CC1	ZINC000997357729	908326574	/nfs/dbraw/zinc/32/65/74/908326574.db2.gz	OAOUDUCWGDSZFB-SQNIBIBYSA-N	1	0	371.506	1.955	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2sc(C)nc2C)C1	ZINC001082567783	908702406	/nfs/dbraw/zinc/70/24/06/908702406.db2.gz	AUNWPOXXLZLHIL-XYPHTWIQSA-N	1	0	360.527	1.794	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(OC)c2)C1	ZINC001082567961	908705427	/nfs/dbraw/zinc/70/54/27/908705427.db2.gz	OHMZNASIMWDBDI-AHRSYUTCSA-N	1	0	355.482	1.729	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2oc(CC)nc2C)C1	ZINC001082568556	908710201	/nfs/dbraw/zinc/71/02/01/908710201.db2.gz	CZEFLJUOHWSWJC-OIISXLGYSA-N	1	0	358.486	1.580	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CCNC(=O)C2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082589687	908842215	/nfs/dbraw/zinc/84/22/15/908842215.db2.gz	LFBRFBUWBYVJGP-ZTQAJYAQSA-N	1	0	354.454	1.411	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082583326	908883217	/nfs/dbraw/zinc/88/32/17/908883217.db2.gz	KYSPDDKVLBZAGT-BDJLRTHQSA-N	1	0	355.373	1.443	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H]1C	ZINC001082613622	909040512	/nfs/dbraw/zinc/04/05/12/909040512.db2.gz	VCHQPTBQTMBTEM-NOZJJQNGSA-N	1	0	353.264	1.857	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(C(C)C)C2)[C@H](OC)C1	ZINC001212354925	909077376	/nfs/dbraw/zinc/07/73/76/909077376.db2.gz	NEDIQDNELQIHQT-RCCFBDPRSA-N	1	0	365.518	1.805	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)[C@H](OC)C1	ZINC001212357305	909100522	/nfs/dbraw/zinc/10/05/22/909100522.db2.gz	FOICEKMSELSMBY-GVDBMIGSSA-N	1	0	351.491	1.273	20	30		FDEDRO
CC(=O)N1CCC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1	ZINC001082627222	909152762	/nfs/dbraw/zinc/15/27/62/909152762.db2.gz	CYBYSRMSNQITPU-UIAACRFSSA-N	1	0	368.481	1.753	20	30		FDEDRO
COc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)nn1C	ZINC001082633916	909200308	/nfs/dbraw/zinc/20/03/08/909200308.db2.gz	VFAJJDYPHDXJIP-SJKOYZFVSA-N	1	0	371.416	1.690	20	30		FDEDRO
COc1nc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OC)c(C#N)c3)C2)co1	ZINC001082667224	909467579	/nfs/dbraw/zinc/46/75/79/909467579.db2.gz	IMORZXUNTNZGCD-IUODEOHRSA-N	1	0	370.409	1.814	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2ccnc2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082673443	909513461	/nfs/dbraw/zinc/51/34/61/909513461.db2.gz	OJZBRQBXHOPFIA-RDTXWAMCSA-N	1	0	355.417	1.921	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1C	ZINC001082746720	909688155	/nfs/dbraw/zinc/68/81/55/909688155.db2.gz	XNJQYZTXOOJDPN-FOUMNBMASA-N	1	0	358.280	1.233	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082704040	909705570	/nfs/dbraw/zinc/70/55/70/909705570.db2.gz	RTIKHGSYPAOHNZ-BJZITVGISA-N	1	0	361.417	1.654	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3c(C)nnn3CC)C2)c1	ZINC001082730383	909866386	/nfs/dbraw/zinc/86/63/86/909866386.db2.gz	RGMAZXLLVSAMOO-CXAGYDPISA-N	1	0	352.442	1.233	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082744720	909966323	/nfs/dbraw/zinc/96/63/23/909966323.db2.gz	CKCLYXOPVFJMRC-GQAVTEOGSA-N	1	0	372.444	1.358	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082746187	909976006	/nfs/dbraw/zinc/97/60/06/909976006.db2.gz	OWMALPFHHDDCHB-NKGKWGDASA-N	1	0	354.454	1.219	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082746264	909977823	/nfs/dbraw/zinc/97/78/23/909977823.db2.gz	UQICMIBPGXFDAN-GMLZMKKNSA-N	1	0	372.444	1.358	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082750469	909989351	/nfs/dbraw/zinc/98/93/51/909989351.db2.gz	RNMAYOGBSGTLCM-RDTXWAMCSA-N	1	0	368.441	1.276	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1	ZINC001082752203	910000010	/nfs/dbraw/zinc/00/00/10/910000010.db2.gz	WOUPOIHQAJHQEJ-PILAGYSTSA-N	1	0	357.454	1.313	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CCC[N@H+](CC(=O)N(C)C)CC1	ZINC000998131941	910430645	/nfs/dbraw/zinc/43/06/45/910430645.db2.gz	WKXOXSZBJCFJIZ-ZACQAIPSSA-N	1	0	351.491	1.369	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)C3(F)CCCCC3)C[C@H]2C)C1=O	ZINC001082840046	910445189	/nfs/dbraw/zinc/44/51/89/910445189.db2.gz	QVOGCUXMRQCWNS-BZUAXINKSA-N	1	0	351.466	1.882	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC(C[NH2+][C@@H]2CCN(C)C2=O)CC1	ZINC000998139205	910450770	/nfs/dbraw/zinc/45/07/70/910450770.db2.gz	PWGWXANXVBYSBJ-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cnccn2)C1	ZINC001082869059	910509929	/nfs/dbraw/zinc/50/99/29/910509929.db2.gz	MWIWSOPWQBNBIX-RVKKMQEKSA-N	1	0	365.437	1.695	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082869176	910513290	/nfs/dbraw/zinc/51/32/90/910513290.db2.gz	VXHGUJSQGOOHQY-RDTXWAMCSA-N	1	0	350.422	1.507	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H]3CCN(C(C)C)C3=O)C2)cn1	ZINC001082871129	910521382	/nfs/dbraw/zinc/52/13/82/910521382.db2.gz	ZYPJRFMIKYRXRO-FHLIZLRMSA-N	1	0	354.454	1.122	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cccc(OC)c3)C[C@H]2C)C1=O	ZINC001082879763	910622623	/nfs/dbraw/zinc/62/26/23/910622623.db2.gz	MALARDIRCHKGGM-FHLIZLRMSA-N	1	0	357.454	1.532	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2ccnc3ccnn32)[C@H](OC)C1	ZINC001212397518	910828386	/nfs/dbraw/zinc/82/83/86/910828386.db2.gz	LQSSOWFEEPMPEG-NVXWUHKLSA-N	1	0	357.458	1.905	20	30		FDEDRO
CCN1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1	ZINC001082935003	910969236	/nfs/dbraw/zinc/96/92/36/910969236.db2.gz	GBLMWRCMJZFWEL-LZQZEXGQSA-N	1	0	356.470	1.215	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(N)=O)cn2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082956795	911103800	/nfs/dbraw/zinc/10/38/00/911103800.db2.gz	XTRWFUSNJXSQCC-BDJLRTHQSA-N	1	0	369.450	1.364	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CCc3cscn3)C[C@H]2C)C1=O	ZINC001082955645	911104338	/nfs/dbraw/zinc/10/43/38/911104338.db2.gz	YDGAAINDWOQANW-FVQBIDKESA-N	1	0	362.499	1.299	20	30		FDEDRO
CO[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1	ZINC001212403089	911164029	/nfs/dbraw/zinc/16/40/29/911164029.db2.gz	BPQRTFBZEBROKF-RTBURBONSA-N	1	0	355.482	1.338	20	30		FDEDRO
C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+](CC2CC2)C2CCCCC2)c1=O	ZINC000727825725	911336721	/nfs/dbraw/zinc/33/67/21/911336721.db2.gz	WYQMWGNXUKVGPK-UHFFFAOYSA-N	1	0	374.485	1.546	20	30		FDEDRO
C#Cc1cncc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C3)c1	ZINC000998629053	911342976	/nfs/dbraw/zinc/34/29/76/911342976.db2.gz	DLYNZZBPFLIQEZ-NQYYFHDYSA-N	1	0	366.465	1.266	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC2(CCOCC2)C1	ZINC001089938775	911667243	/nfs/dbraw/zinc/66/72/43/911667243.db2.gz	IBTAVAGQCMIYDD-IXDOHACOSA-N	1	0	363.502	1.465	20	30		FDEDRO
CO[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C	ZINC001212410084	911834315	/nfs/dbraw/zinc/83/43/15/911834315.db2.gz	NXWKOMBUSYAQRZ-QRVBRYPASA-N	1	0	356.470	1.214	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](CC)[NH+](C)C)nc1	ZINC000998948972	911895699	/nfs/dbraw/zinc/89/56/99/911895699.db2.gz	UIHCISYNHFQEOI-UBDQQSCGSA-N	1	0	354.454	1.265	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]21	ZINC001083085398	911956554	/nfs/dbraw/zinc/95/65/54/911956554.db2.gz	PIXVCBHOGMFGEM-YDZRNGNQSA-N	1	0	364.486	1.306	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4c(c3)NC(=O)C4)[C@H]2C1	ZINC001083091582	911973651	/nfs/dbraw/zinc/97/36/51/911973651.db2.gz	VJEWSJIAUUUCMG-ZWKOTPCHSA-N	1	0	355.438	1.673	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3c(CC)nn(C)c3CC)[C@H]2C1	ZINC001083108243	912063279	/nfs/dbraw/zinc/06/32/79/912063279.db2.gz	HPAOHFINHDSPCX-RBUKOAKNSA-N	1	0	358.486	1.022	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(CNC(C)=O)cc3)[C@H]2C1	ZINC001083133834	912079207	/nfs/dbraw/zinc/07/92/07/912079207.db2.gz	SMDPNCXFNFBFLD-VQTJNVASSA-N	1	0	371.481	1.814	20	30		FDEDRO
C=C(C)CN1C[C@H]2OCCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@H]2C1	ZINC001083139947	912146541	/nfs/dbraw/zinc/14/65/41/912146541.db2.gz	CWISMACLOZMHLN-ZWKOTPCHSA-N	1	0	353.426	1.369	20	30		FDEDRO
C[C@]1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)CCC(=O)NC1	ZINC001084596893	915579965	/nfs/dbraw/zinc/57/99/65/915579965.db2.gz	WMRYTEHJRUDNJI-OPYAIIAOSA-N	1	0	366.465	1.507	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)CC1	ZINC000729976973	915900319	/nfs/dbraw/zinc/90/03/19/915900319.db2.gz	HJPUWKBJIIGYOL-UHFFFAOYSA-N	1	0	367.471	1.444	20	30		FDEDRO
CCOc1ccc(N=C2NC(=O)C(CC(=O)NCC[NH+](C)C)S2)cc1	ZINC000730271958	916491847	/nfs/dbraw/zinc/49/18/47/916491847.db2.gz	NSIPLSUSERQPEQ-AWEZNQCLSA-N	1	0	364.471	1.372	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](CCCc4nc(C)no4)C[C@H]32)nc1	ZINC001084783993	917089842	/nfs/dbraw/zinc/08/98/42/917089842.db2.gz	UYKVIGUJULWKSM-SJLPKXTDSA-N	1	0	365.437	1.533	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@H]2CC[N@H+](CCn3cccn3)C[C@H]21	ZINC001084783286	917119466	/nfs/dbraw/zinc/11/94/66/917119466.db2.gz	KFMYJCRTHZVSDJ-SJLPKXTDSA-N	1	0	365.437	1.137	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@H]2CC[N@H+](CCOC3CCC3)C[C@H]21	ZINC001084783463	917120245	/nfs/dbraw/zinc/12/02/45/917120245.db2.gz	RRRJTUUQRJBODV-VQIMIIECSA-N	1	0	369.465	1.809	20	30		FDEDRO
CCN1CCO[C@@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1	ZINC001084844428	917614467	/nfs/dbraw/zinc/61/44/67/917614467.db2.gz	SPXIFAVEJKYCRB-VAMGGRTRSA-N	1	0	368.481	1.312	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4cnc(C)cn4)C[C@H]32)CC1	ZINC001084851262	917660186	/nfs/dbraw/zinc/66/01/86/917660186.db2.gz	UPGMLZAOFRIYJZ-UYAOXDASSA-N	1	0	367.497	1.163	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1	ZINC000731125633	917772696	/nfs/dbraw/zinc/77/26/96/917772696.db2.gz	KSEZNGNTHQLOQX-KRWDZBQOSA-N	1	0	355.438	1.724	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)c4cc[n+]([O-])cc4)C[C@@H]32)c1	ZINC001084884192	917974443	/nfs/dbraw/zinc/97/44/43/917974443.db2.gz	JHGMKYSZPDNTPL-QUCCMNQESA-N	1	0	362.433	1.928	20	30		FDEDRO
C=CCCCC(=O)NC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCO1	ZINC001065212511	918051458	/nfs/dbraw/zinc/05/14/58/918051458.db2.gz	OJPWGONJAYNJSP-YESZJQIVSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cc(CC)n[nH]4)C[C@@H]32)C1=O	ZINC001084893201	918061919	/nfs/dbraw/zinc/06/19/19/918061919.db2.gz	OXCLDXRVHJEIGY-WBAXXEDZSA-N	1	0	371.485	1.295	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1	ZINC001065212475	918088082	/nfs/dbraw/zinc/08/80/82/918088082.db2.gz	NOFJASMZNVQXIZ-OWCLPIDISA-N	1	0	351.491	1.273	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(NC(=S)Nc2ccccc2C#N)CC1	ZINC000731490851	918129186	/nfs/dbraw/zinc/12/91/86/918129186.db2.gz	XTZIRMDILJQAPU-UHFFFAOYSA-N	1	0	359.499	1.787	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ccn(C)c4)C[C@@H]32)C1=O	ZINC001084919578	918316289	/nfs/dbraw/zinc/31/62/89/918316289.db2.gz	BAIVGBYSGMVFTK-JQHSSLGASA-N	1	0	356.470	1.348	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3CC[N@H+](C[C@@H]4CCc5ncnn54)[C@H]3C2)c[nH]1	ZINC001084925561	918358224	/nfs/dbraw/zinc/35/82/24/918358224.db2.gz	HOAOPRMWWAROJY-COXVUDFISA-N	1	0	365.441	1.202	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21	ZINC001084922693	918372026	/nfs/dbraw/zinc/37/20/26/918372026.db2.gz	KORFDXJDKXCMQX-XLIONFOSSA-N	1	0	368.481	1.313	20	30		FDEDRO
O=C(CCn1ccnn1)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001084928721	918376018	/nfs/dbraw/zinc/37/60/18/918376018.db2.gz	BZXCNXCUEJZDFM-UXHICEINSA-N	1	0	363.465	1.643	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cnnc(C)c4)C[C@@H]32)C1=O	ZINC001084929187	918385963	/nfs/dbraw/zinc/38/59/63/918385963.db2.gz	QXMONIQRSKPZLT-JQHSSLGASA-N	1	0	369.469	1.108	20	30		FDEDRO
Cc1nnc(CC(=O)N2CC[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)[C@H]3C2)o1	ZINC001084934996	918537076	/nfs/dbraw/zinc/53/70/76/918537076.db2.gz	SBURVLQVVABDJT-MSOLQXFVSA-N	1	0	365.437	1.915	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cn([C@H](C)COC)nc3C)C[C@@H]21	ZINC001084940093	918560104	/nfs/dbraw/zinc/56/01/04/918560104.db2.gz	DAVVUSNRZZHLDF-SUMDDJOVSA-N	1	0	358.486	1.959	20	30		FDEDRO
Cn1ccc(CC(=O)N2CC[C@H]3CC[N@H+](Cc4ccccc4C#N)[C@H]3C2)n1	ZINC001084938561	918588978	/nfs/dbraw/zinc/58/89/78/918588978.db2.gz	QWTRNBIVAUUDTD-UZLBHIALSA-N	1	0	363.465	1.957	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC[N@H+](C)C2)cc1	ZINC000731895310	918759507	/nfs/dbraw/zinc/75/95/07/918759507.db2.gz	OERIHCCERGIAHE-KMJMQOOCSA-N	1	0	364.471	1.390	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn(-c4cccnc4)nn3)C[C@@H]21	ZINC001084954138	918763468	/nfs/dbraw/zinc/76/34/68/918763468.db2.gz	ORZAOPSCEAZGRT-QAPCUYQASA-N	1	0	350.426	1.222	20	30		FDEDRO
CC(=NNC(=S)NCCC[NH+](C)C)c1cccc(NS(C)(=O)=O)c1	ZINC000731928646	918845276	/nfs/dbraw/zinc/84/52/76/918845276.db2.gz	MPOZAGCIYONQLM-UHFFFAOYSA-N	1	0	371.532	1.198	20	30		FDEDRO
CCN(C(C)=O)c1nc(C=NNC(=S)NCCC[NH+](C)C)cs1	ZINC000731928038	918845772	/nfs/dbraw/zinc/84/57/72/918845772.db2.gz	BRKNVRSLYZBZRV-UHFFFAOYSA-N	1	0	356.521	1.266	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C[C@@H]21	ZINC001084963705	918895632	/nfs/dbraw/zinc/89/56/32/918895632.db2.gz	ODMPEJOYJKRXKA-PBHICJAKSA-N	1	0	353.422	1.577	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CCCNC4=O)C[C@@H]32)cc1	ZINC001084964681	918925089	/nfs/dbraw/zinc/92/50/89/918925089.db2.gz	KYQUZJXDNLUYME-QRVBRYPASA-N	1	0	366.465	1.507	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N(C)C)[C@H]2C1	ZINC001084974416	919033398	/nfs/dbraw/zinc/03/33/98/919033398.db2.gz	XTGDQWKHANEAAE-AEFFLSMTSA-N	1	0	371.481	1.876	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(OCC(N)=O)cc3)C[C@@H]21	ZINC001084984665	919174227	/nfs/dbraw/zinc/17/42/27/919174227.db2.gz	LTGMILFBDUOEKB-QAPCUYQASA-N	1	0	355.438	1.110	20	30		FDEDRO
CNC(=O)[C@H]1CCC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1	ZINC000732207041	919202670	/nfs/dbraw/zinc/20/26/70/919202670.db2.gz	MRDAKBUCMCKARA-ZFWWWQNUSA-N	1	0	363.421	1.682	20	30		FDEDRO
C[C@]1(C(=O)N2CC[C@H]3CC[N@H+](Cc4cccc(C#N)c4)[C@H]3C2)CNC(=O)C1	ZINC001084996030	919347181	/nfs/dbraw/zinc/34/71/81/919347181.db2.gz	NFUHHBYIGHNFEW-LVCYWYKZSA-N	1	0	366.465	1.507	20	30		FDEDRO
C[C@]1(C(=O)N2CC[C@H]3CC[N@H+](CC#Cc4ccccc4)[C@H]3C2)CNC(=O)C1	ZINC001084996175	919348027	/nfs/dbraw/zinc/34/80/27/919348027.db2.gz	UMAZIGAZQNMDFU-XQBPLPMBSA-N	1	0	365.477	1.487	20	30		FDEDRO
C=CCn1c(=O)n(CC=C)c(=O)n(C[NH+](CC(C)C)CC(C)C)c1=O	ZINC000732405379	919568976	/nfs/dbraw/zinc/56/89/76/919568976.db2.gz	FMRZWIWBCBXSPF-UHFFFAOYSA-N	1	0	350.463	1.115	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)cc1	ZINC000732412513	919581932	/nfs/dbraw/zinc/58/19/32/919581932.db2.gz	HPODWBHZJXBHGC-RBUKOAKNSA-N	1	0	371.481	1.969	20	30		FDEDRO
CN1CC[C@@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)[C@H]3C2)C1=O	ZINC001085012510	919597365	/nfs/dbraw/zinc/59/73/65/919597365.db2.gz	VVQDBVSNDHJDAR-QRVBRYPASA-N	1	0	366.465	1.459	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cccnc4C)C[C@@H]32)C1=O	ZINC001085019681	919733511	/nfs/dbraw/zinc/73/35/11/919733511.db2.gz	HKNGZICZTOEICG-WDSOQIARSA-N	1	0	368.481	1.713	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3CC[N@@H+](CCc4ccnn4C)[C@H]3C2)c1	ZINC001085027892	919813157	/nfs/dbraw/zinc/81/31/57/919813157.db2.gz	XTAKMHVSHLAASD-XLIONFOSSA-N	1	0	363.465	1.576	20	30		FDEDRO
N#C[C@H]1CN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CCN1C1CC1	ZINC000732701058	919992390	/nfs/dbraw/zinc/99/23/90/919992390.db2.gz	OWHQWBWUNJJNEL-HKUYNNGSSA-N	1	0	353.470	1.643	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(-n4cncn4)n3)C[C@@H]21	ZINC001085066016	920375431	/nfs/dbraw/zinc/37/54/31/920375431.db2.gz	YHKDBUGASQOPAX-WBVHZDCISA-N	1	0	350.426	1.222	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(-n4cncn4)n3)C[C@@H]21	ZINC001085066023	920375676	/nfs/dbraw/zinc/37/56/76/920375676.db2.gz	YRVQEOBVGOSCMQ-WBVHZDCISA-N	1	0	352.442	1.775	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)Cn4cncn4)C[C@@H]32)s1	ZINC001085088300	920758218	/nfs/dbraw/zinc/75/82/18/920758218.db2.gz	MWKIOLVBIJCWSY-CJNGLKHVSA-N	1	0	356.455	1.334	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)Cn4cncn4)C[C@@H]32)c1	ZINC001085088346	920759519	/nfs/dbraw/zinc/75/95/19/920759519.db2.gz	QHAPQOYRFJRNBQ-MSOLQXFVSA-N	1	0	350.426	1.273	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCNC(=O)C2)c1	ZINC001085164467	921916278	/nfs/dbraw/zinc/91/62/78/921916278.db2.gz	JJGZKJHACQCQLF-RCCFBDPRSA-N	1	0	354.454	1.601	20	30		FDEDRO
C[C@H]1CCCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)C1	ZINC001085174088	921970002	/nfs/dbraw/zinc/97/00/02/921970002.db2.gz	VNSSISZEMZGIKM-USXIJHARSA-N	1	0	371.485	1.775	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C(N)=O)cc2)c[nH]1	ZINC001085174696	921994216	/nfs/dbraw/zinc/99/42/16/921994216.db2.gz	PALBFKJQSYWYAA-QZTJIDSGSA-N	1	0	365.437	1.816	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCNC(=O)CC2)c[nH]1	ZINC001085176850	922007304	/nfs/dbraw/zinc/00/73/04/922007304.db2.gz	ZEXLDMCRTLLGJN-IAOVAPTHSA-N	1	0	357.458	1.433	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2coc(CC)n2)C1=O	ZINC001085177657	922016933	/nfs/dbraw/zinc/01/69/33/922016933.db2.gz	RFOAXWBQBUPCSR-RBSFLKMASA-N	1	0	360.458	1.655	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnnn1C	ZINC001085187457	922076265	/nfs/dbraw/zinc/07/62/65/922076265.db2.gz	IFDBQYVORKXPSP-HZPDHXFCSA-N	1	0	368.441	1.526	20	30		FDEDRO
CN1CC[N@H+](C)CC(C(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)C1	ZINC000823783656	922085598	/nfs/dbraw/zinc/08/55/98/922085598.db2.gz	JEQUOONHUIDFBK-HNNXBMFYSA-N	1	0	370.375	1.759	20	30		FDEDRO
Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)c(F)c2)nn1	ZINC001085189489	922147469	/nfs/dbraw/zinc/14/74/69/922147469.db2.gz	DESVEBGIMSLTCO-HZPDHXFCSA-N	1	0	356.405	1.657	20	30		FDEDRO
Cc1nnc(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)[nH]1	ZINC001085193078	922160962	/nfs/dbraw/zinc/16/09/62/922160962.db2.gz	PGVLOGLRUCREHW-IAGOWNOFSA-N	1	0	352.442	1.745	20	30		FDEDRO
Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](C2CCOCC2)CC1	ZINC000282566604	922176787	/nfs/dbraw/zinc/17/67/87/922176787.db2.gz	VHOWBXJBTMSWLY-UHFFFAOYSA-N	1	0	352.442	1.655	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@](C)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001065353527	922268994	/nfs/dbraw/zinc/26/89/94/922268994.db2.gz	AMKREBCQWOVIHJ-MUKKUYKPSA-N	1	0	356.474	1.336	20	30		FDEDRO
C[NH+]1CCC(NC(=S)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1	ZINC000733904267	922492311	/nfs/dbraw/zinc/49/23/11/922492311.db2.gz	INBQJIIUYVRMII-GOSISDBHSA-N	1	0	357.527	1.665	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)CSCC#N)CC2)CC[N@@H+]1C	ZINC001066217419	922611077	/nfs/dbraw/zinc/61/10/77/922611077.db2.gz	LQCSXQRVGXLVRG-RBSFLKMASA-N	1	0	352.504	1.081	20	30		FDEDRO
Cc1cc(C#N)nc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1	ZINC001066201701	922620759	/nfs/dbraw/zinc/62/07/59/922620759.db2.gz	FVIJLKPCLUOYOU-NRSFXHEJSA-N	1	0	368.485	1.567	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CN(CCOC)C(=O)OC(C)(C)C)CC1	ZINC000733955099	922710703	/nfs/dbraw/zinc/71/07/03/922710703.db2.gz	CPLDFDRWMQEQOP-UHFFFAOYSA-N	1	0	355.479	1.637	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2cnc(C)o2)C1=O	ZINC001085224346	922907806	/nfs/dbraw/zinc/90/78/06/922907806.db2.gz	ZVHHRKNARCBQCO-ZACQAIPSSA-N	1	0	360.458	1.329	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCn1nc(C)cc1C	ZINC001085229990	922984509	/nfs/dbraw/zinc/98/45/09/922984509.db2.gz	VDJQWZYUJKCBFK-AQNXPRMDSA-N	1	0	371.529	1.615	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	ZINC001085281636	923483021	/nfs/dbraw/zinc/48/30/21/923483021.db2.gz	CFZSCTPHYLGCPK-TVFCKZIOSA-N	1	0	351.491	1.069	20	30		FDEDRO
C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)CNC(=O)C1	ZINC001085283446	923504677	/nfs/dbraw/zinc/50/46/77/923504677.db2.gz	NUVAEXOIDBSAOT-HLIPFELVSA-N	1	0	354.454	1.601	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COCCN1CC(F)F	ZINC001085285900	923524068	/nfs/dbraw/zinc/52/40/68/923524068.db2.gz	KGUWLONCDLPBRR-MCIONIFRSA-N	1	0	365.852	1.722	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCNC1=O	ZINC001085296326	923657768	/nfs/dbraw/zinc/65/77/68/923657768.db2.gz	YOUFVFYENWFZEJ-BRWVUGGUSA-N	1	0	358.417	1.350	20	30		FDEDRO
CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001085300667	923663496	/nfs/dbraw/zinc/66/34/96/923663496.db2.gz	CTRDZZTWOCWVSA-KURKYZTESA-N	1	0	354.454	1.696	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2conc2CC)C1=O	ZINC001085323976	923861112	/nfs/dbraw/zinc/86/11/12/923861112.db2.gz	JRFYJIIPPWRZTR-BRWVUGGUSA-N	1	0	360.458	1.655	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCC(=O)N1	ZINC001085361012	924226976	/nfs/dbraw/zinc/22/69/76/924226976.db2.gz	KJDHGGQZYVSNFG-RCCFBDPRSA-N	1	0	354.454	1.744	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc(CC)n2C)nc1	ZINC001085398599	924448359	/nfs/dbraw/zinc/44/83/59/924448359.db2.gz	OPUGJSIJYKCYJD-HZPDHXFCSA-N	1	0	366.469	1.585	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCN(CC=C)C2=O)nc1	ZINC001085398643	924448451	/nfs/dbraw/zinc/44/84/51/924448451.db2.gz	QUEMUTIYDDXJBG-ZHALLVOQSA-N	1	0	366.465	1.480	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCc3ncnn32)cn1	ZINC001085398899	924451071	/nfs/dbraw/zinc/45/10/71/924451071.db2.gz	GKUGBQHXXXHHNS-RCCFBDPRSA-N	1	0	364.453	1.473	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]3CN(c4nccnc4C#N)C[C@H]32)CC[N@@H+]1C	ZINC001066253062	924530764	/nfs/dbraw/zinc/53/07/64/924530764.db2.gz	IXOVPUWQMOMJDT-JYYAWHABSA-N	1	0	354.458	1.116	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CC)C[NH+]2CCCC2)c1	ZINC000735811459	924566879	/nfs/dbraw/zinc/56/68/79/924566879.db2.gz	YDKRMEPBGUGOOV-MRXNPFEDSA-N	1	0	363.483	1.202	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+]CCS(=O)(=O)Cc3ccccc3)n2c1	ZINC000736639379	924863550	/nfs/dbraw/zinc/86/35/50/924863550.db2.gz	USPLXZNXIHOBJK-UHFFFAOYSA-N	1	0	354.435	1.911	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1	ZINC000740735862	925420173	/nfs/dbraw/zinc/42/01/73/925420173.db2.gz	RRUVXQINQHMACJ-HNNXBMFYSA-N	1	0	357.429	1.783	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H](NC(=O)N2CCCC2)[C@H](C)CC)CC1	ZINC000740737983	925421948	/nfs/dbraw/zinc/42/19/48/925421948.db2.gz	PDPPWCFKQRAOML-AEFFLSMTSA-N	1	0	362.518	1.810	20	30		FDEDRO
CC[N@@H+]1CCC(N=Nc2ccc(S(=O)(=O)NC(C)C)cn2)[C@H](C)C1	ZINC000741460689	925776127	/nfs/dbraw/zinc/77/61/27/925776127.db2.gz	SYUWISCPOPHMCW-CYBMUJFWSA-N	1	0	353.492	1.898	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H](C)c2c(C)n[nH]c2C)[C@@H](n2ccnn2)C1	ZINC001129326191	925902599	/nfs/dbraw/zinc/90/25/99/925902599.db2.gz	CKRPSFLPPNGNDY-XYPHTWIQSA-N	1	0	371.489	1.729	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CCNc3nccnc3C#N)C2)CC[N@@H+]1C	ZINC001066394301	925979155	/nfs/dbraw/zinc/97/91/55/925979155.db2.gz	UAIAHAGIDNRHQR-YQQAZPJKSA-N	1	0	356.474	1.729	20	30		FDEDRO
C=C(Br)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC001086152233	926160649	/nfs/dbraw/zinc/16/06/49/926160649.db2.gz	YGSIDXSWBRGLMP-UQAQGZBZSA-N	1	0	355.276	1.803	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc3nonc3c2)C1	ZINC001086202189	926287622	/nfs/dbraw/zinc/28/76/22/926287622.db2.gz	MCCDKNWWQGQCKP-FSZRXZPDSA-N	1	0	356.426	1.798	20	30		FDEDRO
C=C(Br)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1	ZINC001086204745	926293369	/nfs/dbraw/zinc/29/33/69/926293369.db2.gz	ISAFFADNENDVKS-PMOUVXMZSA-N	1	0	367.291	1.917	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccc(OC)c(N3CCNC3=O)c2)CC1	ZINC000743490692	926377506	/nfs/dbraw/zinc/37/75/06/926377506.db2.gz	UPFIPULLXJLTIS-UHFFFAOYSA-N	1	0	370.453	1.442	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)CC1	ZINC000743488697	926377744	/nfs/dbraw/zinc/37/77/44/926377744.db2.gz	QFTNLWRAYNJIMS-IAGOWNOFSA-N	1	0	370.497	1.913	20	30		FDEDRO
COCCCNC(=S)NN=C(C)c1cccc(OCC[NH+](C)C)c1	ZINC000743526133	926383584	/nfs/dbraw/zinc/38/35/84/926383584.db2.gz	NRKBPWCSWLGCJZ-UHFFFAOYSA-N	1	0	352.504	1.852	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000743883040	926486180	/nfs/dbraw/zinc/48/61/80/926486180.db2.gz	GJPDSKDXPXNNOF-ZDUSSCGKSA-N	1	0	359.401	1.377	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3C#N)C2)O1	ZINC001086400654	927057422	/nfs/dbraw/zinc/05/74/22/927057422.db2.gz	QQGYFHIMQHKYRT-OHDICMOHSA-N	1	0	356.470	1.262	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2c(C)nn(C)c2Cl)C1	ZINC001086481198	927518600	/nfs/dbraw/zinc/51/86/00/927518600.db2.gz	TYEFFUVYEBYRFP-KQTLUZQSSA-N	1	0	366.893	1.957	20	30		FDEDRO
C[NH+](C)Cc1cccc(CNC(=O)CCNC(=O)C2N=CC=CC2=O)c1	ZINC000746113030	927620953	/nfs/dbraw/zinc/62/09/53/927620953.db2.gz	JWXGEGRGNHATRW-VHEBQXMUSA-N	1	0	356.426	1.281	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1	ZINC001086503451	927706199	/nfs/dbraw/zinc/70/61/99/927706199.db2.gz	USICBIWYYIBUCD-DWRORGKVSA-N	1	0	359.470	1.351	20	30		FDEDRO
C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)Nc2cnn(CC#N)c2)C1	ZINC000746356956	927905935	/nfs/dbraw/zinc/90/59/35/927905935.db2.gz	VPMNDRTVNBCVQY-GASCZTMLSA-N	1	0	360.462	1.219	20	30		FDEDRO
N#CCn1cc(NC(=O)C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cn1	ZINC000746364262	927914000	/nfs/dbraw/zinc/91/40/00/927914000.db2.gz	FWHPXDVZEHOLNO-UHFFFAOYSA-N	1	0	372.473	1.460	20	30		FDEDRO
C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CC#CC(C)(C)C	ZINC001169180708	928341793	/nfs/dbraw/zinc/34/17/93/928341793.db2.gz	IQULSAJEQYYYNN-OAHLLOKOSA-N	1	0	373.501	1.632	20	30		FDEDRO
C#CCCCC[NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC001169183655	928342123	/nfs/dbraw/zinc/34/21/23/928342123.db2.gz	LHOJRBIVBBBYEK-OAHLLOKOSA-N	1	0	359.474	1.386	20	30		FDEDRO
C[C@H]([NH3+])c1ccn(-c2ccccc2COC(=O)ON2C(=O)CCC2=O)n1	ZINC001169234216	928358626	/nfs/dbraw/zinc/35/86/26/928358626.db2.gz	VJTRKDIBQYLYBK-NSHDSACASA-N	1	0	358.354	1.609	20	30		FDEDRO
C=CCOC(=O)N1CCC(C[NH2+][C@@H]2CC[C@@H](C(=O)OCC)OC2)CC1	ZINC001169373025	928485301	/nfs/dbraw/zinc/48/53/01/928485301.db2.gz	NMKFFTMOZQBWND-CVEARBPZSA-N	1	0	354.447	1.721	20	30		FDEDRO
COc1ccc(OC)c([C@@H](O)CNC(=O)C[NH2+]C#C[Si](C)(C)C)c1	ZINC001169440182	928618535	/nfs/dbraw/zinc/61/85/35/928618535.db2.gz	FTKRZTDIXGKRDU-HNNXBMFYSA-N	1	0	350.491	1.281	20	30		FDEDRO
C=C[C@@H](CO)Nc1nccc(C[N@@H+]2CC[C@H](CO)C2)c1C(OC)OC	ZINC001169779353	928910722	/nfs/dbraw/zinc/91/07/22/928910722.db2.gz	GTSRDNLGEJMPIW-ZFWWWQNUSA-N	1	0	351.447	1.146	20	30		FDEDRO
COC(=O)n1ncc(C#N)c1Nc1nc(N2CCC(C[NH3+])CC2)ncc1C	ZINC001169962741	928980839	/nfs/dbraw/zinc/98/08/39/928980839.db2.gz	XCWXDLVXEIFWEE-UHFFFAOYSA-N	1	0	370.417	1.386	20	30		FDEDRO
C#CCN1CCN(C(=O)CN2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1	ZINC000766963131	929021266	/nfs/dbraw/zinc/02/12/66/929021266.db2.gz	HJQWSRXOVWMLBO-UXHICEINSA-N	1	0	368.525	1.359	20	30		FDEDRO
C#CCCN(CC(F)(F)F)C(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1	ZINC000767154441	929127462	/nfs/dbraw/zinc/12/74/62/929127462.db2.gz	KPPQBHGBBISDFH-CABCVRRESA-N	1	0	373.419	1.733	20	30		FDEDRO
N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO[C@H]1CCOC1	ZINC001108951869	929566666	/nfs/dbraw/zinc/56/66/66/929566666.db2.gz	IKYWYQHSKGYJPH-UGUYLWEFSA-N	1	0	353.488	1.160	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C(F)F)n(C)n1)C2	ZINC001109518920	929661054	/nfs/dbraw/zinc/66/10/54/929661054.db2.gz	HTWMTZRTXRWIOG-DYEKYZERSA-N	1	0	354.401	1.895	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(Br)cc2)CC1	ZINC000769904651	929729698	/nfs/dbraw/zinc/72/96/98/929729698.db2.gz	MKDZDLQJVRPNRL-AWEZNQCLSA-N	1	0	364.287	1.877	20	30		FDEDRO
C#C[C@H](C)[N@@H+](C)CCC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC	ZINC000769960461	929755296	/nfs/dbraw/zinc/75/52/96/929755296.db2.gz	CHRPVNPEMCRGRX-JTQLQIEISA-N	1	0	366.439	1.912	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccnc1-n1cccn1)C2	ZINC001109584599	929850187	/nfs/dbraw/zinc/85/01/87/929850187.db2.gz	PFXVZBNWHQMVAA-NJAFHUGGSA-N	1	0	367.453	1.805	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3cnn(C)c3C1)C2	ZINC001109641839	929978552	/nfs/dbraw/zinc/97/85/52/929978552.db2.gz	YPOCGMYJOYRNDZ-RANZSIQMSA-N	1	0	358.486	1.449	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]nc1[C@@H]1CCCO1)C2	ZINC001109636542	929987996	/nfs/dbraw/zinc/98/79/96/929987996.db2.gz	KENYLIWVJHGKJY-IWCQGFGOSA-N	1	0	360.458	1.799	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C2	ZINC001109671544	930105826	/nfs/dbraw/zinc/10/58/26/930105826.db2.gz	ORPFOEGEFXFRDA-OWSLCNJRSA-N	1	0	359.474	1.145	20	30		FDEDRO
C#CC[NH+]1CCC(c2nc(-c3ccnc(N4CCOCC4)c3)no2)CC1	ZINC000770864112	930291114	/nfs/dbraw/zinc/29/11/14/930291114.db2.gz	BJMPOXAMVQASHX-UHFFFAOYSA-N	1	0	353.426	1.781	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1cccc(OC)c1)C2	ZINC001109748000	930317547	/nfs/dbraw/zinc/31/75/47/930317547.db2.gz	AZLDVMBDPRXYSI-MNEFBYGVSA-N	1	0	360.454	1.998	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COC[C@@H]2CCOC2)C3)cc1	ZINC001109788379	930424428	/nfs/dbraw/zinc/42/44/28/930424428.db2.gz	FZQDSZYCLJVWMT-ZRNYENFQSA-N	1	0	369.465	1.833	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1csc(-c3nc[nH]n3)n1)C2	ZINC001109828864	930536463	/nfs/dbraw/zinc/53/64/63/930536463.db2.gz	AFWYAEFYLBHSQE-DYEKYZERSA-N	1	0	374.470	1.466	20	30		FDEDRO
C#CC[NH2+]CC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1	ZINC000746514209	930867170	/nfs/dbraw/zinc/86/71/70/930867170.db2.gz	WBLVFIPXNPQBCW-UHFFFAOYSA-N	1	0	354.237	1.501	20	30		FDEDRO
C#CC[NH2+]CC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1	ZINC000746513912	930897202	/nfs/dbraw/zinc/89/72/02/930897202.db2.gz	NCNKBSYAMJMFRQ-UHFFFAOYSA-N	1	0	354.237	1.501	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCO[C@H]2CCOC2)nc1	ZINC001109998454	930997423	/nfs/dbraw/zinc/99/74/23/930997423.db2.gz	ZIKYRQNEZRGERQ-UMGGQSCQSA-N	1	0	369.465	1.594	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)N2CCc3sccc3C2)CC1	ZINC000772110652	931080161	/nfs/dbraw/zinc/08/01/61/931080161.db2.gz	VOZWSPXJOYYMJR-CQSZACIVSA-N	1	0	360.479	1.910	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)NCc2ccccc2OC)CC1	ZINC000772109686	931080383	/nfs/dbraw/zinc/08/03/83/931080383.db2.gz	GDVYKVSHQXVMNV-OAHLLOKOSA-N	1	0	358.438	1.588	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)NCc2ccccc2COC)CC1	ZINC000772120995	931086537	/nfs/dbraw/zinc/08/65/37/931086537.db2.gz	LLCILCCXSRQIPZ-UHFFFAOYSA-N	1	0	358.438	1.338	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCc2ccc(S(=O)(=O)N(C)C)cc2)CC1	ZINC000772120565	931086974	/nfs/dbraw/zinc/08/69/74/931086974.db2.gz	KEOHLCYFAMIBIF-UHFFFAOYSA-N	1	0	364.467	1.325	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1OCC[C@@H]1Cn1cccn1)C2	ZINC001112543941	931414842	/nfs/dbraw/zinc/41/48/42/931414842.db2.gz	FUHZFMMNVJCTKB-RMJJICAUSA-N	1	0	358.486	1.693	20	30		FDEDRO
CCc1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC#CCOC)C2)n(C)n1	ZINC001112551270	931465010	/nfs/dbraw/zinc/46/50/10/931465010.db2.gz	QTKUZJHKUUHZKO-JXFKEZNVSA-N	1	0	358.486	1.464	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)OCc2ccnc(C#N)c2)CC1=O	ZINC000785651879	931526374	/nfs/dbraw/zinc/52/63/74/931526374.db2.gz	HIPDDSOSXNBCPK-RDJZCZTQSA-N	1	0	356.426	1.329	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)NCC(F)(F)F)C2	ZINC001112553336	931532363	/nfs/dbraw/zinc/53/23/63/931532363.db2.gz	NVHOALLTJRGFQJ-BBRMVZONSA-N	1	0	361.408	1.849	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn(C[C@@H]3CCOC3)nn1)C2	ZINC001112554047	931536464	/nfs/dbraw/zinc/53/64/64/931536464.db2.gz	WXAKNWSGJASFBX-BXWFABGCSA-N	1	0	359.474	1.333	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC13CCCC3)C2	ZINC001112557003	931543856	/nfs/dbraw/zinc/54/38/56/931543856.db2.gz	ISAJLJPLVAODSC-FVJLSDCUSA-N	1	0	357.498	1.534	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCc2ccc(C#N)cc2)CC1=O	ZINC000785658023	931553003	/nfs/dbraw/zinc/55/30/03/931553003.db2.gz	WVIILYPHJTUSEB-ZWKOTPCHSA-N	1	0	355.438	1.934	20	30		FDEDRO
CC(C)C[C@@H](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1	ZINC001112562353	931593342	/nfs/dbraw/zinc/59/33/42/931593342.db2.gz	TVCMZTAMPONXJB-UWVAXJGDSA-N	1	0	362.518	1.917	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1nc(C)n(C)c1=O)C2	ZINC001112572082	931665475	/nfs/dbraw/zinc/66/54/75/931665475.db2.gz	DDOVDZFBHGBCET-LPHOPBHVSA-N	1	0	361.490	1.075	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cncc(C(N)=O)c1)C2	ZINC001112580533	931726879	/nfs/dbraw/zinc/72/68/79/931726879.db2.gz	RRTVYLYZUZHPEH-PXNSSMCTSA-N	1	0	356.470	1.979	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)c1ccccc1F)C2	ZINC001112578220	931734115	/nfs/dbraw/zinc/73/41/15/931734115.db2.gz	DTRZTFFJNAXEAA-KKSFZXQISA-N	1	0	371.456	1.797	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CS(=O)(=O)NC(C)(C)C)C2	ZINC001112581437	931743646	/nfs/dbraw/zinc/74/36/46/931743646.db2.gz	PSFQJZJNTSQKJB-YJBOKZPZSA-N	1	0	371.547	1.499	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(C)C2CC2)C1	ZINC001112588814	931798168	/nfs/dbraw/zinc/79/81/68/931798168.db2.gz	WAOAIPDUYIRZCX-JXFKEZNVSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cc(OC)no2)C1	ZINC001112589450	931807167	/nfs/dbraw/zinc/80/71/67/931807167.db2.gz	ADLWEDKVEPKECS-DOXZYTNZSA-N	1	0	363.458	1.993	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCOC(C)C)C2	ZINC001112590964	931818617	/nfs/dbraw/zinc/81/86/17/931818617.db2.gz	AQZOLSBCYHEZMX-PXNSSMCTSA-N	1	0	365.518	1.712	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(C(N)=O)cn1)C2	ZINC001112590259	931835196	/nfs/dbraw/zinc/83/51/96/931835196.db2.gz	LTGCQBNLGIGXHJ-JXFKEZNVSA-N	1	0	356.470	1.979	20	30		FDEDRO
COc1ccc(N2CC[NH+](C[C@@H](O)CN3CC[C@@](F)(C#N)C3)CC2)cc1	ZINC000786434823	931915749	/nfs/dbraw/zinc/91/57/49/931915749.db2.gz	AAVYHRAGIVLOFL-IEBWSBKVSA-N	1	0	362.449	1.116	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NC[C@H](CC(C)C)[NH+](CC)CC	ZINC000786651641	931985071	/nfs/dbraw/zinc/98/50/71/931985071.db2.gz	VOZXZFJGPUICPE-ZDUSSCGKSA-N	1	0	362.312	1.884	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CNC(N)=O)cc1)C2	ZINC001110082508	932157604	/nfs/dbraw/zinc/15/76/04/932157604.db2.gz	QAJQFZZASPSUEY-SQNIBIBYSA-N	1	0	372.469	1.393	20	30		FDEDRO
C#Cc1cccc(NC(=S)NN=C2CC[NH+](CCC(=O)OC)CC2)c1	ZINC000788715474	932791435	/nfs/dbraw/zinc/79/14/35/932791435.db2.gz	ZAENNISSQZIILX-UHFFFAOYSA-N	1	0	358.467	1.969	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)n1	ZINC000789166472	932951251	/nfs/dbraw/zinc/95/12/51/932951251.db2.gz	GMTOPQCKNNOWPF-INIZCTEOSA-N	1	0	359.474	1.325	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1	ZINC000746804354	933017648	/nfs/dbraw/zinc/01/76/48/933017648.db2.gz	UNBGWXMSJUIDOA-QGZVFWFLSA-N	1	0	369.465	1.827	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)CN(C[N@@H+]3CCC[C@@H]3[C@H]3CCCO3)C2=O)cc1	ZINC000789516192	933067818	/nfs/dbraw/zinc/06/78/18/933067818.db2.gz	UJOQFSJRYATHPB-QZTJIDSGSA-N	1	0	368.437	1.923	20	30		FDEDRO
N#CCCn1cc(CN2CC[NH+](CCCCO)CC2)c(-c2ccncc2)n1	ZINC000789741481	933173937	/nfs/dbraw/zinc/17/39/37/933173937.db2.gz	VSYOYFGTFZDKOY-UHFFFAOYSA-N	1	0	368.485	1.749	20	30		FDEDRO
C=CC[C@@]1(C(=O)NC[C@@](C)(O)C[NH+](C)C)CCCN1C(=O)OC(C)(C)C	ZINC000790812309	933729482	/nfs/dbraw/zinc/72/94/82/933729482.db2.gz	AXKMRXLRBXHWGW-MOPGFXCFSA-N	1	0	369.506	1.761	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)C1	ZINC001086591303	933766239	/nfs/dbraw/zinc/76/62/39/933766239.db2.gz	GQLUSQOHVUQIAP-HSALFYBXSA-N	1	0	367.493	1.851	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1	ZINC000790976020	933823914	/nfs/dbraw/zinc/82/39/14/933823914.db2.gz	WXXDTNMCHYGHOL-KRWDZBQOSA-N	1	0	357.454	1.874	20	30		FDEDRO
C#CCOc1ccc(C(=O)O[C@H]2CCCN(c3cc[nH+]c(N)n3)C2)cc1	ZINC000791108901	933876400	/nfs/dbraw/zinc/87/64/00/933876400.db2.gz	PWNBIKOVENFDKY-INIZCTEOSA-N	1	0	352.394	1.897	20	30		FDEDRO
C=C(CO)C(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000791325310	933961636	/nfs/dbraw/zinc/96/16/36/933961636.db2.gz	QPHAEVBOGZTEFR-UHFFFAOYSA-N	1	0	371.403	1.882	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1	ZINC001086600504	934082706	/nfs/dbraw/zinc/08/27/06/934082706.db2.gz	XHLQVCJJBOBVSP-DLBZAZTESA-N	1	0	350.422	1.001	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2cn(CC)nn2)C1	ZINC001086601078	934120710	/nfs/dbraw/zinc/12/07/10/934120710.db2.gz	FCLNSIXPOVNEHE-RBUKOAKNSA-N	1	0	351.454	1.448	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1	ZINC001086601873	934131528	/nfs/dbraw/zinc/13/15/28/934131528.db2.gz	UIIGSAAUYZYVFZ-VNTMZGSJSA-N	1	0	371.481	1.392	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCCN2C(N)=O)C1	ZINC001086619128	938354021	/nfs/dbraw/zinc/35/40/21/938354021.db2.gz	AIUOISGJMIDVHP-KSZLIROESA-N	1	0	356.470	1.690	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2nc(C)ccc2=O)C1	ZINC001086620433	938359470	/nfs/dbraw/zinc/35/94/70/938359470.db2.gz	QNURKHGIIMELMG-RBUKOAKNSA-N	1	0	366.465	1.712	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C	ZINC001114296802	938393079	/nfs/dbraw/zinc/39/30/79/938393079.db2.gz	VIVCRPLOQBPLMK-KLBVCGFUSA-N	1	0	370.497	1.403	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCC=C)C[C@@H]2n2ccnn2)nc1	ZINC001129393930	938401303	/nfs/dbraw/zinc/40/13/03/938401303.db2.gz	XWMVJXVZKSHYBQ-MSOLQXFVSA-N	1	0	350.426	1.276	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)Oc2ccccn2)[C@@H](n2ccnn2)C1	ZINC001129393939	938401386	/nfs/dbraw/zinc/40/13/86/938401386.db2.gz	YKZBKQRMTYKISN-XHSDSOJGSA-N	1	0	356.430	1.058	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)C(C)(C)C)[C@@H](n2ccnn2)C1	ZINC001129404188	938417231	/nfs/dbraw/zinc/41/72/31/938417231.db2.gz	NHECFDDXDSQAEP-BBWFWOEESA-N	1	0	363.506	1.895	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)CCOc2cccc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129445113	938417912	/nfs/dbraw/zinc/41/79/12/938417912.db2.gz	BKKRTDNYMIOFBL-MOPGFXCFSA-N	1	0	369.469	1.973	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)COc2cc(C)ccc2C)[C@@H](n2ccnn2)C1	ZINC001129445890	938418832	/nfs/dbraw/zinc/41/88/32/938418832.db2.gz	ZAVGGJWKWOTDEQ-MSOLQXFVSA-N	1	0	369.469	1.892	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)Cc2ccc[nH]2)[C@@H](n2ccnn2)C1	ZINC001129445870	938418838	/nfs/dbraw/zinc/41/88/38/938418838.db2.gz	XRMHNSJREZURLC-MSOLQXFVSA-N	1	0	356.474	1.937	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2ccn(C)n2)[C@@H](n2ccnn2)C1	ZINC001129433540	938423015	/nfs/dbraw/zinc/42/30/15/938423015.db2.gz	FWVNWEADLKIIHV-SJORKVTESA-N	1	0	359.478	1.637	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccc(N(C)C)cn2)[C@@H](n2ccnn2)C1	ZINC001129465484	938428503	/nfs/dbraw/zinc/42/85/03/938428503.db2.gz	JIFOALGXJMDYRR-MSOLQXFVSA-N	1	0	369.473	1.361	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC/C=C/CCC)C[C@@H]1n1ccnn1	ZINC001129481471	938434314	/nfs/dbraw/zinc/43/43/14/938434314.db2.gz	LUZNDOPHVUGUAU-WFJGZTCRSA-N	1	0	361.490	1.957	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1	ZINC001086623334	938450086	/nfs/dbraw/zinc/45/00/86/938450086.db2.gz	YVVXTARIGYCOCA-DLBZAZTESA-N	1	0	370.453	1.041	20	30		FDEDRO
CCCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)s2)[C@@H](n2ccnn2)C1	ZINC001129598141	938461618	/nfs/dbraw/zinc/46/16/18/938461618.db2.gz	BDQNVHWNGOHWRD-CVEARBPZSA-N	1	0	358.471	1.943	20	30		FDEDRO
CC(C)C[C@H](C)C[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@@H]1n1ccnn1	ZINC001129603653	938462841	/nfs/dbraw/zinc/46/28/41/938462841.db2.gz	DHNLYEGJIKFJNB-XHSDSOJGSA-N	1	0	364.519	1.559	20	30		FDEDRO
CC[C@@H](C)C(=O)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129589815	938466002	/nfs/dbraw/zinc/46/60/02/938466002.db2.gz	ZLOMTPKSGZTESG-QRQLOZEOSA-N	1	0	351.454	1.717	20	30		FDEDRO
CC(C)C(=O)N1C[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)[C@@H](n2ccnn2)C1	ZINC001129589591	938466058	/nfs/dbraw/zinc/46/60/58/938466058.db2.gz	QCOXSNRDWXHJRY-MSOLQXFVSA-N	1	0	371.872	1.981	20	30		FDEDRO
CO[C@H](C)CC(=O)N1C[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@@H](n2ccnn2)C1	ZINC001129670957	938479338	/nfs/dbraw/zinc/47/93/38/938479338.db2.gz	BUOLTOLCLXKCHS-OLMNPRSZSA-N	1	0	368.441	1.116	20	30		FDEDRO
CC(C)C[C@H](C)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1n1ccnn1	ZINC001129763192	938503354	/nfs/dbraw/zinc/50/33/54/938503354.db2.gz	XGHCKXRZBXWJBR-QGTPRVQTSA-N	1	0	369.473	1.815	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1n1ccnn1	ZINC001129762490	938503375	/nfs/dbraw/zinc/50/33/75/938503375.db2.gz	MXMZYYIGXNQWTH-XKQJLSEDSA-N	1	0	353.430	1.488	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(C)ncn2)C[C@@H]1n1ccnn1	ZINC001129748036	938506349	/nfs/dbraw/zinc/50/63/49/938506349.db2.gz	NFPWUZFNMAKSQV-XYPHTWIQSA-N	1	0	355.446	1.387	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2nccc(C)n2)C[C@@H]1n1ccnn1	ZINC001129791993	938508374	/nfs/dbraw/zinc/50/83/74/938508374.db2.gz	UKUSIIRTXWINNC-SJORKVTESA-N	1	0	369.473	1.778	20	30		FDEDRO
CCO[C@@H](C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1n1ccnn1)C1CC1	ZINC001129822363	938522252	/nfs/dbraw/zinc/52/22/52/938522252.db2.gz	SEIODWMNDYNWRL-SQNIBIBYSA-N	1	0	359.474	1.094	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C)nc2C)[C@@H](n2ccnn2)C1	ZINC001129829344	938523752	/nfs/dbraw/zinc/52/37/52/938523752.db2.gz	FWDQQCQBLONDAF-MOPGFXCFSA-N	1	0	366.469	1.635	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3n[nH]cc32)C[C@@H]1n1ccnn1	ZINC001129845205	938525301	/nfs/dbraw/zinc/52/53/01/938525301.db2.gz	OYGVKKYOIHSATG-OLMNPRSZSA-N	1	0	369.473	1.429	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N2C[C@@H]([NH2+]C(C)C)[C@@H](n3ccnn3)C2)cc1	ZINC001129844764	938525326	/nfs/dbraw/zinc/52/53/26/938525326.db2.gz	JVDOZKXLFLVDJP-MOPGFXCFSA-N	1	0	367.453	1.744	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(C)noc2CCC)C[C@@H]1n1ccnn1	ZINC001129846362	938525901	/nfs/dbraw/zinc/52/59/01/938525901.db2.gz	YLKPOGAAJPPEGZ-CABCVRRESA-N	1	0	358.446	1.758	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C[C@@H]1n1ccnn1	ZINC001129849948	938527228	/nfs/dbraw/zinc/52/72/28/938527228.db2.gz	DIRWTQGMPLLEAI-MLHJIOFPSA-N	1	0	373.501	1.342	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2ccnc2CC)C[C@@H]1n1ccnn1	ZINC001129856149	938528983	/nfs/dbraw/zinc/52/89/83/938528983.db2.gz	YIMVTOUHMRHUFV-ZACQAIPSSA-N	1	0	371.489	1.606	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)[C@@H](n2ccnn2)C1	ZINC001129834284	938533468	/nfs/dbraw/zinc/53/34/68/938533468.db2.gz	SZMGRLIRUCDWIA-XHSDSOJGSA-N	1	0	365.428	1.859	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCOCC2CC2)C[C@@H]1n1ccnn1	ZINC001129838117	938535355	/nfs/dbraw/zinc/53/53/55/938535355.db2.gz	RJZIITZYNXQUSK-JQHSSLGASA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c(C3CC3)cnn2C)C[C@@H]1n1ccnn1	ZINC001129890464	938541479	/nfs/dbraw/zinc/54/14/79/938541479.db2.gz	KBOBCOQVOHNDKW-SJORKVTESA-N	1	0	369.473	1.511	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnn3c2CCC3)C[C@@H]1n1ccnn1	ZINC001129892474	938543461	/nfs/dbraw/zinc/54/34/61/938543461.db2.gz	YWKMFCVOLJDJOB-WBVHZDCISA-N	1	0	355.446	1.042	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CC=CCC2)C[C@@H]1n1ccnn1	ZINC001129872435	938545395	/nfs/dbraw/zinc/54/53/95/938545395.db2.gz	WTBXPMJGYISJGM-ZIFCJYIRSA-N	1	0	357.458	1.016	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2C2CC2)C[C@@H]1n1ccnn1	ZINC001129874935	938546259	/nfs/dbraw/zinc/54/62/59/938546259.db2.gz	SSWVWXXDGGIQFH-CVEARBPZSA-N	1	0	355.446	1.120	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccnn2[C@@H](C)CC)C[C@@H]1n1ccnn1	ZINC001129876392	938546676	/nfs/dbraw/zinc/54/66/76/938546676.db2.gz	OIDNVOOPZFVIPX-UXLLHSPISA-N	1	0	355.446	1.124	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c(F)cncc2F)C[C@@H]1n1ccnn1	ZINC001129876710	938547074	/nfs/dbraw/zinc/54/70/74/938547074.db2.gz	WRMWHBVZPAMINR-CABCVRRESA-N	1	0	362.384	1.573	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc3cccn3cn2)C[C@@H]1n1ccnn1	ZINC001129904373	938547767	/nfs/dbraw/zinc/54/77/67/938547767.db2.gz	FLORLUNPFDLQDG-MSOLQXFVSA-N	1	0	365.441	1.547	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(C)noc2C(F)F)C[C@@H]1n1ccnn1	ZINC001129905061	938548269	/nfs/dbraw/zinc/54/82/69/938548269.db2.gz	QHMVWPWRMRPWFP-NEPJUHHUSA-N	1	0	366.372	1.744	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC23CC3)C[C@@H]1n1ccnn1	ZINC001129907074	938548993	/nfs/dbraw/zinc/54/89/93/938548993.db2.gz	PNLKWBAHIGIQDD-BBWFWOEESA-N	1	0	359.474	1.403	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)nn2CC)C[C@@H]1n1ccnn1	ZINC001129907114	938549030	/nfs/dbraw/zinc/54/90/30/938549030.db2.gz	RDXDDZCKVBXHKC-AEFFLSMTSA-N	1	0	369.473	1.603	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2Cl)C[C@@H]1n1ccnn1	ZINC001129910297	938549979	/nfs/dbraw/zinc/54/99/79/938549979.db2.gz	MQGIUNFUZVAVAW-KGLIPLIRSA-N	1	0	363.853	1.287	20	30		FDEDRO
CCCC[C@@](C)(F)C(=O)N1C[C@@H]([NH2+]CC#CCOC)[C@@H](n2ccnn2)C1	ZINC001129916697	938553515	/nfs/dbraw/zinc/55/35/15/938553515.db2.gz	AZKJMDOGTVUHNU-SOLBZPMBSA-N	1	0	365.453	1.188	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C/C=C\c2cccc(F)c2)C[C@@H]1n1ccnn1	ZINC001129896394	938557590	/nfs/dbraw/zinc/55/75/90/938557590.db2.gz	YBLMUOMMZKWQEO-JVCKMAHQSA-N	1	0	367.428	1.886	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2nc(C)cs2)C[C@@H]1n1ccnn1	ZINC001129932446	938562727	/nfs/dbraw/zinc/56/27/27/938562727.db2.gz	YVPIEEDKKVINCB-CABCVRRESA-N	1	0	358.471	1.041	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccnn2C)C[C@@H]1n1ccnn1	ZINC001129939369	938565380	/nfs/dbraw/zinc/56/53/80/938565380.db2.gz	DGMBKXAYSLIEOR-KONPQCLYSA-N	1	0	369.473	1.123	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC(C)(C)CO2)C[C@@H]1n1ccnn1	ZINC001129939564	938565445	/nfs/dbraw/zinc/56/54/45/938565445.db2.gz	KKXLQNNULSIZKK-BBWFWOEESA-N	1	0	359.474	1.238	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cn2cc(C3CC3)cn2)C[C@@H]1n1ccnn1	ZINC001129918787	938567530	/nfs/dbraw/zinc/56/75/30/938567530.db2.gz	IVUHQLZMFHZORQ-MSOLQXFVSA-N	1	0	369.473	1.360	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccc(OC)nc2)C[C@@H]1n1ccnn1	ZINC001129927501	938571647	/nfs/dbraw/zinc/57/16/47/938571647.db2.gz	ZTBQHCIQDVRPKC-OIISXLGYSA-N	1	0	370.457	1.692	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2cc(C)ccc2OC)C[C@@H]1n1ccnn1	ZINC001129928675	938571919	/nfs/dbraw/zinc/57/19/19/938571919.db2.gz	FOKPEQHLKZBUPV-MSOLQXFVSA-N	1	0	369.469	1.755	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ncc(OC)cn2)C[C@@H]1n1ccnn1	ZINC001129928918	938572530	/nfs/dbraw/zinc/57/25/30/938572530.db2.gz	UZTOUVVPOLQWMD-BMFZPTHFSA-N	1	0	371.445	1.087	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc3[nH]ccc3n2)C[C@@H]1n1ccnn1	ZINC001129930247	938572836	/nfs/dbraw/zinc/57/28/36/938572836.db2.gz	AIDCDGOFWUTZDC-MSOLQXFVSA-N	1	0	365.441	1.776	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cc(C)nn2C)C[C@@H]1n1ccnn1	ZINC001129930885	938573222	/nfs/dbraw/zinc/57/32/22/938573222.db2.gz	XKPAIMXWIUAQQJ-QGTPRVQTSA-N	1	0	371.489	1.259	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2c(C)nn(C)c2C)C[C@@H]1n1ccnn1	ZINC001129948829	938573554	/nfs/dbraw/zinc/57/35/54/938573554.db2.gz	AUKZNQPYTQGMQF-MSOLQXFVSA-N	1	0	371.489	1.179	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(-c3ccco3)on2)C[C@@H]1n1ccnn1	ZINC001129948968	938573926	/nfs/dbraw/zinc/57/39/26/938573926.db2.gz	INAHNABTFVEZKJ-CABCVRRESA-N	1	0	368.397	1.758	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2ccccn2)C[C@@H]1n1ccnn1	ZINC001129957208	938577653	/nfs/dbraw/zinc/57/76/53/938577653.db2.gz	XCNSOVSMJNLIAJ-MSOLQXFVSA-N	1	0	354.458	1.614	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H]([NH2+]CCOCC2CC2)[C@@H](n2ccnn2)C1	ZINC001129964067	938579443	/nfs/dbraw/zinc/57/94/43/938579443.db2.gz	UZDTZCLLUBUYMF-SJORKVTESA-N	1	0	361.490	1.649	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2occ3c2CCC3)C[C@@H]1n1ccnn1	ZINC001129945080	938580446	/nfs/dbraw/zinc/58/04/46/938580446.db2.gz	BIIVJQFLHKVAIT-SJORKVTESA-N	1	0	355.442	1.981	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NCC[N@H+](C)C2CCCC2)cc1C#N	ZINC000804819458	938585847	/nfs/dbraw/zinc/58/58/47/938585847.db2.gz	VNACURABUYBRKJ-UHFFFAOYSA-N	1	0	358.442	1.174	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]([NH2+]CC#CCOC)[C@@H](n3ccnn3)C2)CCC1	ZINC001129995914	938604805	/nfs/dbraw/zinc/60/48/05/938604805.db2.gz	QCLCXAXFIZLWDZ-SJORKVTESA-N	1	0	357.458	1.016	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@@H]1n1ccnn1	ZINC001129997325	938605541	/nfs/dbraw/zinc/60/55/41/938605541.db2.gz	IJPDDBWHISENSK-CABCVRRESA-N	1	0	363.441	1.766	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cc2C)C[C@@H]1n1ccnn1	ZINC001130000941	938608315	/nfs/dbraw/zinc/60/83/15/938608315.db2.gz	XEVXNASASMZQNV-CVEARBPZSA-N	1	0	356.430	1.309	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3nc[nH]c32)C[C@@H]1n1ccnn1	ZINC001130000891	938608352	/nfs/dbraw/zinc/60/83/52/938608352.db2.gz	VGXQQHQTNMKJHM-OIISXLGYSA-N	1	0	369.473	1.429	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]([NH2+]Cc2cnc(C)s2)[C@@H](n2ccnn2)C1	ZINC001129987013	938610401	/nfs/dbraw/zinc/61/04/01/938610401.db2.gz	USQVJKMNWLCIDQ-CVEARBPZSA-N	1	0	360.487	1.941	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCc3nc(C)ncc32)CC1	ZINC000804894216	938611263	/nfs/dbraw/zinc/61/12/63/938611263.db2.gz	XDEWRAVODHSHRO-QGZVFWFLSA-N	1	0	357.458	1.045	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2cncs2)C[C@@H]1n1ccnn1	ZINC001130014606	938615734	/nfs/dbraw/zinc/61/57/34/938615734.db2.gz	VMMYEQLTMAXKTL-CVEARBPZSA-N	1	0	360.487	1.675	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cc(C)oc2C)C[C@@H]1n1ccnn1	ZINC001130040598	938627045	/nfs/dbraw/zinc/62/70/45/938627045.db2.gz	CGYHRFWQPGUMMR-QGTPRVQTSA-N	1	0	355.442	1.656	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cc(C)oc2C)C[C@@H]1n1ccnn1	ZINC001130040910	938627216	/nfs/dbraw/zinc/62/72/16/938627216.db2.gz	ROSUVDVSCCWIAS-OLMNPRSZSA-N	1	0	355.442	1.656	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2cccs2)C[C@@H]1n1ccnn1	ZINC001130026634	938629513	/nfs/dbraw/zinc/62/95/13/938629513.db2.gz	WXZDTXVNFKNXDM-UAGQMJEPSA-N	1	0	357.483	1.583	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2scnc2COC)C[C@@H]1n1ccnn1	ZINC001130030899	938632510	/nfs/dbraw/zinc/63/25/10/938632510.db2.gz	XNEZCWZIRFXDKZ-OCCSQVGLSA-N	1	0	362.459	1.112	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2oc(C3CC3)nc2C)C[C@@H]1n1ccnn1	ZINC001130032369	938633348	/nfs/dbraw/zinc/63/33/48/938633348.db2.gz	DBDDCHKWZRGCLW-CABCVRRESA-N	1	0	356.430	1.683	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cccn3ccnc23)C[C@@H]1n1ccnn1	ZINC001130037891	938635842	/nfs/dbraw/zinc/63/58/42/938635842.db2.gz	AEMCQSXNLFDINK-SJORKVTESA-N	1	0	365.441	1.547	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccc(OC)o2)C[C@@H]1n1ccnn1	ZINC001130050211	938637287	/nfs/dbraw/zinc/63/72/87/938637287.db2.gz	NYSFUUDMVMWYCP-KFWWJZLASA-N	1	0	359.430	1.890	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2c(C)n[nH]c2C)C[C@@H]1n1ccnn1	ZINC001130043910	938643062	/nfs/dbraw/zinc/64/30/62/938643062.db2.gz	GLFLCDXFNIHLPD-XYPHTWIQSA-N	1	0	371.489	1.729	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)c2ccncn2)C[C@@H]1n1ccnn1	ZINC001130046737	938646009	/nfs/dbraw/zinc/64/60/09/938646009.db2.gz	PWECQVBLMMGKKL-SJORKVTESA-N	1	0	357.462	1.694	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc(F)c2OCC)C[C@@H]1n1ccnn1	ZINC001130057128	938646268	/nfs/dbraw/zinc/64/62/68/938646268.db2.gz	JVEJKLWLMRYPKH-SJORKVTESA-N	1	0	371.416	1.495	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccnc(C)c2)C[C@@H]1n1ccnn1	ZINC001130047708	938646846	/nfs/dbraw/zinc/64/68/46/938646846.db2.gz	OVMHZESZLMDLBF-OLMNPRSZSA-N	1	0	354.458	1.992	20	30		FDEDRO
C#CCCCS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO	ZINC000805053476	938654057	/nfs/dbraw/zinc/65/40/57/938654057.db2.gz	RFZZPGIMMYKGIP-ZWKOTPCHSA-N	1	0	350.484	1.202	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)nc2OCC)C[C@@H]1n1ccnn1	ZINC001130066533	938654994	/nfs/dbraw/zinc/65/49/94/938654994.db2.gz	CUYVMPXVCXUTBF-SJORKVTESA-N	1	0	370.457	1.612	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc3nccn3c2)C[C@@H]1n1ccnn1	ZINC001130083532	938664943	/nfs/dbraw/zinc/66/49/43/938664943.db2.gz	AUQKQWXDIKWLMP-SJORKVTESA-N	1	0	365.441	1.547	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c3cccnc23)C[C@@H]1n1ccnn1	ZINC001130083909	938665211	/nfs/dbraw/zinc/66/52/11/938665211.db2.gz	PMJLOQZGMRFBIS-CVEARBPZSA-N	1	0	351.414	1.386	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc3ccncc3c2)C[C@@H]1n1ccnn1	ZINC001130075657	938669568	/nfs/dbraw/zinc/66/95/68/938669568.db2.gz	ZEFKSKDEYMJGDU-MOPGFXCFSA-N	1	0	360.421	1.505	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3cnccc3c2)C[C@@H]1n1ccnn1	ZINC001130077358	938670280	/nfs/dbraw/zinc/67/02/80/938670280.db2.gz	DRANSIQDRYDUHZ-MOPGFXCFSA-N	1	0	360.421	1.505	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2csc(Cl)n2)C[C@@H]1n1ccnn1	ZINC001130077309	938670302	/nfs/dbraw/zinc/67/03/02/938670302.db2.gz	BTCICQZBGZSJKI-PWSUYJOCSA-N	1	0	350.835	1.067	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2ccc(C)s2)C[C@@H]1n1ccnn1	ZINC001130088990	938675591	/nfs/dbraw/zinc/67/55/91/938675591.db2.gz	TVTMZSZPRLXIEO-XHSDSOJGSA-N	1	0	357.483	1.817	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n3ccnn3)C2)cn1	ZINC001130091432	938676750	/nfs/dbraw/zinc/67/67/50/938676750.db2.gz	SKDBPVVTUPPRIU-DBLORFJXSA-N	1	0	356.817	1.062	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]CCC(C)(C)C)[C@@H](n3ccnn3)C2)nc1	ZINC001130094385	938679177	/nfs/dbraw/zinc/67/91/77/938679177.db2.gz	IRZDUURWWFVEQU-MSOLQXFVSA-N	1	0	366.469	1.746	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](CC)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130095062	938679731	/nfs/dbraw/zinc/67/97/31/938679731.db2.gz	YXEOYGPPSWLDPL-QRQLOZEOSA-N	1	0	351.454	1.837	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccccc2OC)C[C@@H]1n1ccnn1	ZINC001130100121	938682783	/nfs/dbraw/zinc/68/27/83/938682783.db2.gz	YVGLUSAIPVQGRC-SJORKVTESA-N	1	0	355.442	1.908	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(OC)cc(OC)c2)C[C@@H]1n1ccnn1	ZINC001130102245	938684114	/nfs/dbraw/zinc/68/41/14/938684114.db2.gz	OQCXSHPUSJBERL-MSOLQXFVSA-N	1	0	371.441	1.527	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)N(C)CC3)C[C@@H]1n1ccnn1	ZINC001130109587	938688487	/nfs/dbraw/zinc/68/84/87/938688487.db2.gz	BVGQBEISSAWGCH-MJGOQNOKSA-N	1	0	366.469	1.502	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccnc(C)n2)C[C@@H]1n1ccnn1	ZINC001130129485	938698960	/nfs/dbraw/zinc/69/89/60/938698960.db2.gz	KBHZTFPJBDLOFX-XYPHTWIQSA-N	1	0	355.446	1.387	20	30		FDEDRO
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1	ZINC000805304634	938706940	/nfs/dbraw/zinc/70/69/40/938706940.db2.gz	RFOOLERIXHWVTN-ICSRJNTNSA-N	1	0	356.514	1.946	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](F)Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130133790	938708614	/nfs/dbraw/zinc/70/86/14/938708614.db2.gz	CYJALDNKIVDTQT-KSZLIROESA-N	1	0	355.417	1.224	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)CC1	ZINC000805276854	938710790	/nfs/dbraw/zinc/71/07/90/938710790.db2.gz	KGAIJMZAZKUPOB-OAHLLOKOSA-N	1	0	373.419	1.781	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H]([NH2+]CCCF)[C@@H](n3ccnn3)C2)CCCCC1	ZINC001130155375	938718366	/nfs/dbraw/zinc/71/83/66/938718366.db2.gz	CTQGLSXUCSVUHD-SJORKVTESA-N	1	0	361.465	1.953	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(CC)n(C)n2)C[C@@H]1n1ccnn1	ZINC001130155742	938718759	/nfs/dbraw/zinc/71/87/59/938718759.db2.gz	YNHOTKVWKKOJOF-SJORKVTESA-N	1	0	357.462	1.196	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](CC#C)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130158829	938720442	/nfs/dbraw/zinc/72/04/42/938720442.db2.gz	UKAXMQXTNATNRX-AQNXPRMDSA-N	1	0	361.449	1.450	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)on2)[nH]1	ZINC001130181235	938728363	/nfs/dbraw/zinc/72/83/63/938728363.db2.gz	BXJZUJBFNSHQEJ-JSGCOSHPSA-N	1	0	360.418	1.069	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccs2)[nH]1	ZINC001130181900	938729202	/nfs/dbraw/zinc/72/92/02/938729202.db2.gz	WKCHYTDIKWDLIE-STQMWFEESA-N	1	0	361.471	1.834	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@]2(C)CC=CCC2)[nH]1	ZINC001130213246	938750393	/nfs/dbraw/zinc/75/03/93/938750393.db2.gz	VUOWOKIOUSLBIM-DOXZYTNZSA-N	1	0	359.474	1.815	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2C=CC=CC=C2)[nH]1	ZINC001130215910	938752346	/nfs/dbraw/zinc/75/23/46/938752346.db2.gz	HSIGFJZAOONCJZ-HOTGVXAUSA-N	1	0	355.442	1.367	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](CC)SC)[nH]1	ZINC001130200196	938753845	/nfs/dbraw/zinc/75/38/45/938753845.db2.gz	CYBLGMRZODRQRC-IHRRRGAJSA-N	1	0	367.519	1.601	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H]2C=CCCC2)n1	ZINC001130220859	938756408	/nfs/dbraw/zinc/75/64/08/938756408.db2.gz	OYJOCXKGLJEAMX-IKGGRYGDSA-N	1	0	371.485	1.653	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCCC2(C)C)[nH]1	ZINC001130227715	938761848	/nfs/dbraw/zinc/76/18/48/938761848.db2.gz	LNWXUFJDTCOBKL-KKUMJFAQSA-N	1	0	361.490	1.895	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@]2(C)C=CCC2)[nH]1	ZINC001130227791	938761930	/nfs/dbraw/zinc/76/19/30/938761930.db2.gz	PEOJRVFBPBJUFG-DOXZYTNZSA-N	1	0	357.458	1.263	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCC2(C)C)[nH]1	ZINC001130230125	938763641	/nfs/dbraw/zinc/76/36/41/938763641.db2.gz	NFWDFGAYYPEEGN-KKUMJFAQSA-N	1	0	361.490	1.895	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC#CC)n[nH]1	ZINC001130234692	938765825	/nfs/dbraw/zinc/76/58/25/938765825.db2.gz	IGBJMITUASQLSG-DOXZYTNZSA-N	1	0	359.474	1.509	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1	ZINC001130234605	938765851	/nfs/dbraw/zinc/76/58/51/938765851.db2.gz	DCUXWBDMDHEJBB-GDZNZVCISA-N	1	0	353.442	1.455	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CCC(=C)CC2)[nH]1	ZINC001130235049	938766309	/nfs/dbraw/zinc/76/63/09/938766309.db2.gz	SKMYBDLKXYRPOD-IRXDYDNUSA-N	1	0	371.485	1.653	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)c2ccco2)n1	ZINC001130238151	938767640	/nfs/dbraw/zinc/76/76/40/938767640.db2.gz	WBLCBWCXJKCQKU-DZKIICNBSA-N	1	0	371.441	1.303	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2occc2CC)[nH]1	ZINC001130240620	938768772	/nfs/dbraw/zinc/76/87/72/938768772.db2.gz	WKJJQPZKXXUMCD-KBPBESRZSA-N	1	0	359.430	1.538	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC23CCCC3)n1	ZINC001130244158	938770310	/nfs/dbraw/zinc/77/03/10/938770310.db2.gz	BYWHVFOQLPEAJF-JYJNAYRXSA-N	1	0	371.485	1.487	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C)cc2)[nH]1	ZINC001130245990	938771449	/nfs/dbraw/zinc/77/14/49/938771449.db2.gz	ATSXLLVJOPUSFH-HOTGVXAUSA-N	1	0	355.442	1.691	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(CC=C)CCCC2)n1	ZINC001130251340	938774441	/nfs/dbraw/zinc/77/44/41/938774441.db2.gz	OQQTVOQSISPKJC-HOTGVXAUSA-N	1	0	371.485	1.653	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C23CCC(CC2)CC3)n1	ZINC001130251523	938774830	/nfs/dbraw/zinc/77/48/30/938774830.db2.gz	YZSBYZPUWNTGIG-FZTQNYJHSA-N	1	0	371.485	1.487	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCc2ccc(C)o2)n1	ZINC001130251514	938774892	/nfs/dbraw/zinc/77/48/92/938774892.db2.gz	YOEGRTFPXJXUBU-HOTGVXAUSA-N	1	0	371.441	1.050	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC2CCCC2)CC1	ZINC001130281218	938779150	/nfs/dbraw/zinc/77/91/50/938779150.db2.gz	DWGCLXFVGSGJNK-BJZITVGISA-N	1	0	360.502	1.812	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](Cc2ccccc2)CC1	ZINC001130281310	938779189	/nfs/dbraw/zinc/77/91/89/938779189.db2.gz	HKCITUNLPRKALP-ZTNFWEORSA-N	1	0	368.481	1.822	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C/C=C/Cl)CC1	ZINC001130281356	938779557	/nfs/dbraw/zinc/77/95/57/938779557.db2.gz	ITZLKMHHPLJYDN-ZDDZKSJASA-N	1	0	352.866	1.374	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[C@@H]2CCCO2)CC1	ZINC001130274624	938787077	/nfs/dbraw/zinc/78/70/77/938787077.db2.gz	WONHQRVAXIIANH-QKLQHJQFSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](CC)OCC)CC1	ZINC001130276857	938788048	/nfs/dbraw/zinc/78/80/48/938788048.db2.gz	SKIIYYYDUBQUIP-NUJGCVRESA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCF)CC1	ZINC001130279148	938789288	/nfs/dbraw/zinc/78/92/88/938789288.db2.gz	UCAXMBMGNUQHEB-QAPCUYQASA-N	1	0	355.454	1.024	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCOC)CC1	ZINC001130285118	938789801	/nfs/dbraw/zinc/78/98/01/938789801.db2.gz	ATYNBDYSBFGQDZ-XLIONFOSSA-N	1	0	363.502	1.302	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COC(C)(C)C)CC1	ZINC001130285717	938790444	/nfs/dbraw/zinc/79/04/44/938790444.db2.gz	NGPNTYMMOYZIEP-APWZRJJASA-N	1	0	365.518	1.853	20	30		FDEDRO
C=C(C)CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](CC)OC)CC1	ZINC001130286063	938790959	/nfs/dbraw/zinc/79/09/59/938790959.db2.gz	WAMKQKJOKDQPKC-LMMKCTJWSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC(C)C)CC1	ZINC001130287741	938792523	/nfs/dbraw/zinc/79/25/23/938792523.db2.gz	BSCRGPPIOCIMGF-LSTHTHJFSA-N	1	0	365.518	1.445	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2ccncn2)CC1	ZINC001130290533	938795057	/nfs/dbraw/zinc/79/50/57/938795057.db2.gz	BSNHEZJZNZIJJW-XLIONFOSSA-N	1	0	371.485	1.071	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC[C@@H](C)F)CC1	ZINC001130291059	938795584	/nfs/dbraw/zinc/79/55/84/938795584.db2.gz	VRGUTZYUSGSARK-MDYRTPRTSA-N	1	0	365.493	1.869	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(C)(C)COC)CC1	ZINC001130293222	938796635	/nfs/dbraw/zinc/79/66/35/938796635.db2.gz	OQEQAJPNHFEQGA-AEFFLSMTSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)C(F)(F)F)CC1	ZINC001130295607	938797959	/nfs/dbraw/zinc/79/79/59/938797959.db2.gz	JZPAGJZEVHKIOZ-KYOSRNDESA-N	1	0	361.408	1.846	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@H](C)O)CC1	ZINC001130299116	938799497	/nfs/dbraw/zinc/79/94/97/938799497.db2.gz	XWPDFUOJDFERBU-GMBSWORKSA-N	1	0	351.491	1.199	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@]23C[C@H]2COC3)C1	ZINC001130389360	938833335	/nfs/dbraw/zinc/83/33/35/938833335.db2.gz	PDPFJSMAKFGMKO-QOKNQOGYSA-N	1	0	360.458	1.054	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)C3=COCCO3)C2)c1	ZINC001086635486	938840781	/nfs/dbraw/zinc/84/07/81/938840781.db2.gz	QKCIDIFMLIGYGB-GOEBONIOSA-N	1	0	359.401	1.960	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)OCC)C[C@H]1c1cn(C)cn1	ZINC001130525191	938891545	/nfs/dbraw/zinc/89/15/45/938891545.db2.gz	ZQORUSOZVWBUMX-CGTJXYLNSA-N	1	0	364.490	1.322	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CSC(C)C)C[C@H]1c1cn(C)cn1	ZINC001130512894	938892469	/nfs/dbraw/zinc/89/24/69/938892469.db2.gz	KPMUAYRNUUCFIA-DOTOQJQBSA-N	1	0	366.531	1.648	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)COCCOC)C[C@H]1c1cn(C)cn1	ZINC001130546657	938901595	/nfs/dbraw/zinc/90/15/95/938901595.db2.gz	MNFFTKCMCMZXOO-XYJFISCASA-N	1	0	364.490	1.322	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cncc(F)c2)C1	ZINC001130583534	939883629	/nfs/dbraw/zinc/88/36/29/939883629.db2.gz	FJJWSVRLFJAETB-PKOBYXMFSA-N	1	0	369.444	1.698	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCCCCCC)C[C@H]1c1cn(C)cn1	ZINC001130590119	939896124	/nfs/dbraw/zinc/89/61/24/939896124.db2.gz	ACZRIBNECWLTNT-ZIFCJYIRSA-N	1	0	360.502	1.923	20	30		FDEDRO
Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2c2cn(C)cn2)o1	ZINC001130594658	939901805	/nfs/dbraw/zinc/90/18/05/939901805.db2.gz	TYSIEDBFPRLZIL-FUHWJXTLSA-N	1	0	369.469	1.850	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)nc(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130599211	939905019	/nfs/dbraw/zinc/90/50/19/939905019.db2.gz	NNNUHQGDHTYXLT-PKOBYXMFSA-N	1	0	351.454	1.653	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]C(C)C)C2)CCOCC1	ZINC001130610333	939907943	/nfs/dbraw/zinc/90/79/43/939907943.db2.gz	JBKICLXNUBOSEQ-FUHWJXTLSA-N	1	0	358.486	1.533	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn(C)c(C)cc2=O)C[C@H]1c1cn(C)cn1	ZINC001130611674	939909496	/nfs/dbraw/zinc/90/94/96/939909496.db2.gz	GJOUZDBVFABYNJ-MAUKXSAKSA-N	1	0	369.469	1.201	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnc3cc[nH]c3c2)C[C@H]1c1cn(C)cn1	ZINC001130611884	939909679	/nfs/dbraw/zinc/90/96/79/939909679.db2.gz	JQZHCKVHMLEUFR-HNAYVOBHSA-N	1	0	362.437	1.518	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)n(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130602858	939914626	/nfs/dbraw/zinc/91/46/26/939914626.db2.gz	QNXRLSXESVMIMX-MAUKXSAKSA-N	1	0	366.469	1.252	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCO)C1)OCC	ZINC001130603099	939914870	/nfs/dbraw/zinc/91/48/70/939914870.db2.gz	YNQBYWNLTIKUQI-JQHSSLGASA-N	1	0	364.490	1.058	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc3cccn3cn2)C[C@H]1c1cn(C)cn1	ZINC001130615515	939917847	/nfs/dbraw/zinc/91/78/47/939917847.db2.gz	UGTKFTKPJWIOOE-QFBILLFUSA-N	1	0	364.453	1.842	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2CCC)C[C@H]1c1cn(C)cn1	ZINC001130622222	939920817	/nfs/dbraw/zinc/92/08/17/939920817.db2.gz	XVTLFIKVBNDIIW-FUHWJXTLSA-N	1	0	368.485	1.327	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3ccccc3O2)C[C@H]1c1cn(C)cn1	ZINC001130623569	939921937	/nfs/dbraw/zinc/92/19/37/939921937.db2.gz	FMSIBWQBUGJUEX-ILZDJORESA-N	1	0	364.449	1.331	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cn2cc(C3CC3)cn2)C[C@H]1c1cn(C)cn1	ZINC001130619357	939930121	/nfs/dbraw/zinc/93/01/21/939930121.db2.gz	NUVQPXOVCLUVIG-PKOBYXMFSA-N	1	0	368.485	1.654	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCCc2c[nH]nn2)C[C@H]1c1cn(C)cn1	ZINC001130635019	939937203	/nfs/dbraw/zinc/93/72/03/939937203.db2.gz	FPTCKPKOMNAWGC-FUHWJXTLSA-N	1	0	371.489	1.411	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)[nH]c2=O)C[C@H]1c1cn(C)cn1	ZINC001130635177	939937440	/nfs/dbraw/zinc/93/74/40/939937440.db2.gz	MKTYUGIZEFAZIT-DOTOQJQBSA-N	1	0	367.453	1.359	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)COCC(F)F)C[C@H]1c1cn(C)cn1	ZINC001130637579	939939379	/nfs/dbraw/zinc/93/93/79/939939379.db2.gz	AIHSBEUNVAIUPG-DZGCQCFKSA-N	1	0	356.417	1.552	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130651932	939946100	/nfs/dbraw/zinc/94/61/00/939946100.db2.gz	BWJCJEUTWLEBEA-FUHWJXTLSA-N	1	0	358.486	1.390	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cocc2C)C[C@H]1c1cn(C)cn1	ZINC001130644200	939952630	/nfs/dbraw/zinc/95/26/30/939952630.db2.gz	KNYVYXHLCWQGGR-MAUKXSAKSA-N	1	0	356.426	1.169	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)C(F)(F)F)C[C@H]1c1cn(C)cn1	ZINC001130659402	939965554	/nfs/dbraw/zinc/96/55/54/939965554.db2.gz	KWATXXVJNKHTEY-KCQAQPDRSA-N	1	0	356.392	1.916	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C(C)(C)C(F)F)C[C@H]1c1cn(C)cn1	ZINC001130667282	939967386	/nfs/dbraw/zinc/96/73/86/939967386.db2.gz	RZHIINCIUIEBFU-DZGCQCFKSA-N	1	0	370.444	1.798	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccco2)C[C@H]1c1cn(C)cn1	ZINC001130678338	939968034	/nfs/dbraw/zinc/96/80/34/939968034.db2.gz	VPGCLECOOSWVEC-XLMAVXFVSA-N	1	0	352.438	1.724	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CCCC(C)C)C[C@H]1c1cn(C)cn1	ZINC001130680459	939968742	/nfs/dbraw/zinc/96/87/42/939968742.db2.gz	RJXUALIDXMYXJE-PKOBYXMFSA-N	1	0	360.502	1.780	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)co2)C[C@H]1c1cn(C)cn1	ZINC001130675070	939972945	/nfs/dbraw/zinc/97/29/45/939972945.db2.gz	KHKKTTHMBGYCKM-GOEBONIOSA-N	1	0	371.441	1.276	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@H](C)C(=O)NC)C1	ZINC001130685217	939974913	/nfs/dbraw/zinc/97/49/13/939974913.db2.gz	JDUWWSQXDSGGAF-IJEWVQPXSA-N	1	0	361.490	1.041	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130685358	939975353	/nfs/dbraw/zinc/97/53/53/939975353.db2.gz	PVDPSOZOVGSDOU-QILLFSRXSA-N	1	0	356.474	1.625	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2cscn2)C[C@H]1c1cn(C)cn1	ZINC001130687760	939977900	/nfs/dbraw/zinc/97/79/00/939977900.db2.gz	PJGKVQISQKDHQG-DOTOQJQBSA-N	1	0	359.499	1.970	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1c1cn(C)cn1	ZINC001130689833	939979927	/nfs/dbraw/zinc/97/99/27/939979927.db2.gz	OBOQBNSICIEYSR-YQQAZPJKSA-N	1	0	361.490	1.137	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(CC)c[nH]c2=O)C[C@H]1c1cn(C)cn1	ZINC001130706512	939988363	/nfs/dbraw/zinc/98/83/63/939988363.db2.gz	JSTLIFARURKOGN-FUHWJXTLSA-N	1	0	369.469	1.857	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cn(CC)cn2)C[C@H]1c1cn(C)cn1	ZINC001130709669	939997610	/nfs/dbraw/zinc/99/76/10/939997610.db2.gz	AJSYVJPMHRKABZ-DOTOQJQBSA-N	1	0	356.474	1.801	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCCCC(N)=O)C[C@H]1c1cn(C)cn1	ZINC001130709862	939997655	/nfs/dbraw/zinc/99/76/55/939997655.db2.gz	FEDDNYSYHRNFDH-DOTOQJQBSA-N	1	0	361.490	1.316	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn(C(C)C)c2)C[C@H]1c1cn(C)cn1	ZINC001130709717	939997698	/nfs/dbraw/zinc/99/76/98/939997698.db2.gz	CEZSMGUENUVGBH-FUHWJXTLSA-N	1	0	354.458	1.419	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]C[C@@H](F)CC)C2)cn1	ZINC001130715279	940007638	/nfs/dbraw/zinc/00/76/38/940007638.db2.gz	WFYQROHUGWNOJJ-VDZJLULYSA-N	1	0	369.444	1.742	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCCn2cccn2)C[C@H]1c1cn(C)cn1	ZINC001130728590	940017250	/nfs/dbraw/zinc/01/72/50/940017250.db2.gz	HJFXJEDPIODSPV-FUHWJXTLSA-N	1	0	354.458	1.004	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCCC(C)C)C[C@H]1c1cn(C)cn1	ZINC001130736341	940037370	/nfs/dbraw/zinc/03/73/70/940037370.db2.gz	BYCDUAVBQONMFP-JENIJYKNSA-N	1	0	360.502	1.779	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)n2nc(C)cc2C)C[C@H]1c1cn(C)cn1	ZINC001130737020	940038264	/nfs/dbraw/zinc/03/82/64/940038264.db2.gz	UZXDAKVDKXUXQU-ZIFCJYIRSA-N	1	0	370.501	1.955	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@](C)(NC(C)=O)C(C)C)C[C@H]1c1cn(C)cn1	ZINC001130737231	940038713	/nfs/dbraw/zinc/03/87/13/940038713.db2.gz	YNXXEWKGANUGNC-KVSKMBFKSA-N	1	0	361.490	1.041	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCOc2cccnc2)C[C@H]1c1cn(C)cn1	ZINC001130731676	940045295	/nfs/dbraw/zinc/04/52/95/940045295.db2.gz	LDTCIOKLEGJXIK-PKOBYXMFSA-N	1	0	369.469	1.744	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(C)(C)F)n2)O1	ZINC001130749785	940057104	/nfs/dbraw/zinc/05/71/04/940057104.db2.gz	QSDSKVGXLBKPAK-QWHCGFSZSA-N	1	0	369.441	1.181	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCCO3)n2)O1	ZINC001130753206	940062621	/nfs/dbraw/zinc/06/26/21/940062621.db2.gz	WZHZAQJLXNFACV-ZNMIVQPWSA-N	1	0	363.462	1.376	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ncccc3C)n2)O1	ZINC001130775065	940091995	/nfs/dbraw/zinc/09/19/95/940091995.db2.gz	KJIPEIWKQIYQNC-UONOGXRCSA-N	1	0	356.430	1.434	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ncccc3C)n2)O1	ZINC001130775402	940092333	/nfs/dbraw/zinc/09/23/33/940092333.db2.gz	UVCZCUACFHEHDX-LSDHHAIUSA-N	1	0	368.441	1.271	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)OC)n2)O1	ZINC001130765532	940096923	/nfs/dbraw/zinc/09/69/23/940096923.db2.gz	WRYMHNSZSKDKPB-SDDRHHMPSA-N	1	0	357.842	1.018	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H](C)OC)n2)O1	ZINC001130769271	940105829	/nfs/dbraw/zinc/10/58/29/940105829.db2.gz	ARJQWAJLOATACM-QLFBSQMISA-N	1	0	365.478	1.622	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C)ncn3)n2)O1	ZINC001130777215	940128409	/nfs/dbraw/zinc/12/84/09/940128409.db2.gz	XCBNRSZXBAAXRQ-DZGCQCFKSA-N	1	0	371.445	1.219	20	30		FDEDRO
CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3c[nH]c(C#N)c3)n2)O1	ZINC001130777263	940128708	/nfs/dbraw/zinc/12/87/08/940128708.db2.gz	ZGHBIVNCQDTMOF-LSDHHAIUSA-N	1	0	371.445	1.544	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCCOCC3)n2)O1	ZINC001130781093	940136457	/nfs/dbraw/zinc/13/64/57/940136457.db2.gz	NYYXGEYPVZYCPM-SOUVJXGZSA-N	1	0	363.462	1.233	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3C[C@H]3CC(C)(C)C)n2)O1	ZINC001130783244	940142946	/nfs/dbraw/zinc/14/29/46/940142946.db2.gz	RTFNGBRZYKNXHJ-CAOSSQGBSA-N	1	0	373.501	1.936	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(CCC)CCC3)n2)O1	ZINC001130795879	940148772	/nfs/dbraw/zinc/14/87/72/940148772.db2.gz	BTKHUSLDTSRNNF-LSDHHAIUSA-N	1	0	359.474	1.834	20	30		FDEDRO
C=C(C)CCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCOC)O2)n[nH]1	ZINC001130787283	940155881	/nfs/dbraw/zinc/15/58/81/940155881.db2.gz	JAYJYOKHCMQWIR-LSDHHAIUSA-N	1	0	365.478	1.623	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(C4CC4)CC3)n2)O1	ZINC001130789986	940161701	/nfs/dbraw/zinc/16/17/01/940161701.db2.gz	BRLNMCRCLSGSOI-LSDHHAIUSA-N	1	0	359.474	1.997	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(C4CC4)CC3)n2)O1	ZINC001130790069	940162566	/nfs/dbraw/zinc/16/25/66/940162566.db2.gz	GKCQSVXHOBEOBY-LSDHHAIUSA-N	1	0	357.458	1.444	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(C4CC4)CC3)n2)O1	ZINC001130790333	940164131	/nfs/dbraw/zinc/16/41/31/940164131.db2.gz	USASBAWTZIHDGX-LSDHHAIUSA-N	1	0	357.458	1.444	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H]3C=CCCC3)n2)O1	ZINC001130792373	940170169	/nfs/dbraw/zinc/17/01/69/940170169.db2.gz	AESAWXPAPNHSRC-OWCLPIDISA-N	1	0	357.458	1.610	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCc3cccnc3)n2)O1	ZINC001130792608	940171570	/nfs/dbraw/zinc/17/15/70/940171570.db2.gz	MRASHWAQZJLXCW-JKSUJKDBSA-N	1	0	370.457	1.444	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(C)CC=CC3)n2)O1	ZINC001130804296	940175937	/nfs/dbraw/zinc/17/59/37/940175937.db2.gz	CELOPFVKQRKFKY-LSDHHAIUSA-N	1	0	357.458	1.610	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](OC)C(C)C)n2)O1	ZINC001130805143	940176914	/nfs/dbraw/zinc/17/69/14/940176914.db2.gz	UTZSPWNTSYFGDC-SQWLQELKSA-N	1	0	365.478	1.478	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)c3ccco3)n2)O1	ZINC001130806347	940180502	/nfs/dbraw/zinc/18/05/02/940180502.db2.gz	AFFUTCDUKSISDD-IJEWVQPXSA-N	1	0	371.441	1.651	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)c3ccco3)n2)O1	ZINC001130807411	940182677	/nfs/dbraw/zinc/18/26/77/940182677.db2.gz	WVDYSKPYHAFXSW-OFQRWUPVSA-N	1	0	371.441	1.651	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3C[C@H]4C[C@H]4C3)n2)O1	ZINC001130799342	940191166	/nfs/dbraw/zinc/19/11/66/940191166.db2.gz	CJGGHOQHXSGVDO-CQJMVSDSSA-N	1	0	359.474	1.853	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cccnc3C)n2)O1	ZINC001130799539	940193219	/nfs/dbraw/zinc/19/32/19/940193219.db2.gz	LTWIJTBWCFSYPD-GOEBONIOSA-N	1	0	370.457	1.824	20	30		FDEDRO
C#Cc1cncc(C(=O)Nc2cccc(CC(=O)N3CCN(C)CC3)c2)c1	ZINC000806986531	940200085	/nfs/dbraw/zinc/20/00/85/940200085.db2.gz	BPKDWYAWNIEXQX-UHFFFAOYSA-N	1	0	362.433	1.632	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)C3CCCC3)n2)O1	ZINC001130817283	940221631	/nfs/dbraw/zinc/22/16/31/940221631.db2.gz	KCRYESSTDZVSGU-VNQPRFMTSA-N	1	0	359.474	1.690	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cncnc3CC)n2)O1	ZINC001130820037	940226811	/nfs/dbraw/zinc/22/68/11/940226811.db2.gz	LNBZMQJLMPIHNE-SWLSCSKDSA-N	1	0	371.445	1.083	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC(C)C)C[C@H]1c1cncn1C	ZINC001130893150	940288847	/nfs/dbraw/zinc/28/88/47/940288847.db2.gz	AKXZDMUEZMCBLI-ARFHVFGLSA-N	1	0	361.490	1.041	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1c1cncn1C	ZINC001130897484	940300623	/nfs/dbraw/zinc/30/06/23/940300623.db2.gz	BZEMHDFOMPUDRR-CGTJXYLNSA-N	1	0	369.469	1.606	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC=CCC2)C[C@H]1c1cncn1C	ZINC001130902898	940311640	/nfs/dbraw/zinc/31/16/40/940311640.db2.gz	JGTWOIQFBIWWMW-KZNAEPCWSA-N	1	0	358.486	1.863	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N(CCC)CC[NH+]2CCCC2)cc1	ZINC000807331206	940323282	/nfs/dbraw/zinc/32/32/82/940323282.db2.gz	AKMIKPNEXLEQJC-UHFFFAOYSA-N	1	0	357.454	1.972	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccnc(OC)c2)C1	ZINC001130935817	940332255	/nfs/dbraw/zinc/33/22/55/940332255.db2.gz	NBKDKSWCZAMTKZ-IAGOWNOFSA-N	1	0	369.469	1.874	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1CCC	ZINC000807394465	940333388	/nfs/dbraw/zinc/33/33/88/940333388.db2.gz	OMHCOUHGQBIKGP-HNNXBMFYSA-N	1	0	361.417	1.767	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1c1cncn1C	ZINC001130930953	940340165	/nfs/dbraw/zinc/34/01/65/940340165.db2.gz	IQTVSVXQKYPAIX-KBAYOESNSA-N	1	0	370.501	1.635	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)C(C)C)C[C@H]1c1cncn1C	ZINC001130940607	940351171	/nfs/dbraw/zinc/35/11/71/940351171.db2.gz	FDVFJKCUQOUCGC-RCCFBDPRSA-N	1	0	360.502	1.636	20	30		FDEDRO
C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1	ZINC000807405346	940351250	/nfs/dbraw/zinc/35/12/50/940351250.db2.gz	VMUJFIGMBNCFFE-UHFFFAOYSA-N	1	0	353.426	1.045	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)/C=C\C(C)(C)C)C[C@H]1c1cncn1C	ZINC001130956810	940361845	/nfs/dbraw/zinc/36/18/45/940361845.db2.gz	FQTVZUKSZGCQOR-MGSINWNPSA-N	1	0	358.486	1.556	20	30		FDEDRO
C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1c1cncn1C	ZINC001130957284	940362734	/nfs/dbraw/zinc/36/27/34/940362734.db2.gz	QFPMCXJLNLEETL-JGGQBBKZSA-N	1	0	358.421	1.566	20	30		FDEDRO
C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000807452759	940363507	/nfs/dbraw/zinc/36/35/07/940363507.db2.gz	FEQNZJBTOMLTKJ-BBRMVZONSA-N	1	0	374.416	1.752	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2cc(C)n[nH]2)C[C@H]1c1cncn1C	ZINC001130953495	940373664	/nfs/dbraw/zinc/37/36/64/940373664.db2.gz	DMMWRJWJCRQELC-IAGOWNOFSA-N	1	0	356.474	1.545	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1c1cncn1C	ZINC001130973192	940384117	/nfs/dbraw/zinc/38/41/17/940384117.db2.gz	UDXBILHIZUITFY-CGTJXYLNSA-N	1	0	370.501	1.635	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOC(C)C)C1	ZINC001130983173	940397811	/nfs/dbraw/zinc/39/78/11/940397811.db2.gz	OLZNBOHDVRTIKK-MDZRGWNJSA-N	1	0	364.490	1.056	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOC(C)C)C1	ZINC001130983172	940397950	/nfs/dbraw/zinc/39/79/50/940397950.db2.gz	OLZNBOHDVRTIKK-GPMSIDNRSA-N	1	0	364.490	1.056	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CO[C@@H]2CCOC2)C[C@H]1c1cncn1C	ZINC001130988303	940410408	/nfs/dbraw/zinc/41/04/08/940410408.db2.gz	BLQMDWYQSOUOPK-BRWVUGGUSA-N	1	0	362.474	1.076	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C/C=C\Cl)C1	ZINC001130988949	940411293	/nfs/dbraw/zinc/41/12/93/940411293.db2.gz	QTHSUYVDHHGGMF-IXSDQNLNSA-N	1	0	350.850	1.095	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC(C)(C)C)C1	ZINC001130989189	940411670	/nfs/dbraw/zinc/41/16/70/940411670.db2.gz	WXUHUHREPVGJNC-GVDBMIGSSA-N	1	0	360.502	1.779	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC[C@H]2CCOC2)C1	ZINC001130991624	940414489	/nfs/dbraw/zinc/41/44/89/940414489.db2.gz	UQDUXDSMUCYTBV-RCCFBDPRSA-N	1	0	358.486	1.390	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCOCC(F)F)C[C@H]1c1cncn1C	ZINC001130994261	940416501	/nfs/dbraw/zinc/41/65/01/940416501.db2.gz	QHPHPRDZMQCNCC-ZIAGYGMSSA-N	1	0	356.417	1.552	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2ccncn2)C[C@H]1c1cncn1C	ZINC001131001515	940427899	/nfs/dbraw/zinc/42/78/99/940427899.db2.gz	DVWKTHDSJXKWEO-QZTJIDSGSA-N	1	0	368.485	1.693	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(=O)NC(C)C)C1	ZINC001131001762	940428591	/nfs/dbraw/zinc/42/85/91/940428591.db2.gz	MMIUERRUQNZQLC-HZPDHXFCSA-N	1	0	361.490	1.185	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCOc2cccc(F)c2)C[C@H]1c1cncn1C	ZINC001131006100	940432334	/nfs/dbraw/zinc/43/23/34/940432334.db2.gz	LAEBTFIIXBTAAR-QZTJIDSGSA-N	1	0	370.428	1.546	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3ccnc3C2)C[C@H]1c1cncn1C	ZINC001131017604	940438350	/nfs/dbraw/zinc/43/83/50/940438350.db2.gz	CJSUYNSESVNEMJ-GVDBMIGSSA-N	1	0	368.485	1.339	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCc2ncc(C)o2)C[C@H]1c1cncn1C	ZINC001131010537	940441564	/nfs/dbraw/zinc/44/15/64/940441564.db2.gz	PVQFTMOXMMQMMF-HZPDHXFCSA-N	1	0	357.458	1.809	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1c1cncn1C	ZINC001131015051	940448340	/nfs/dbraw/zinc/44/83/40/940448340.db2.gz	NNWLYRBODNAJOQ-HUUCEWRRSA-N	1	0	356.430	1.080	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cncc(CC)c2)C[C@H]1c1cncn1C	ZINC001131030825	940450661	/nfs/dbraw/zinc/45/06/61/940450661.db2.gz	BDDYENHNDXUVKN-QZTJIDSGSA-N	1	0	351.454	1.599	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2nc(C)cs2)C[C@H]1c1cncn1C	ZINC001131031069	940450673	/nfs/dbraw/zinc/45/06/73/940450673.db2.gz	GLZYQIDMINRMSI-HZPDHXFCSA-N	1	0	371.510	1.725	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cncc2C)C[C@H]1c1cncn1C	ZINC001131031428	940455282	/nfs/dbraw/zinc/45/52/82/940455282.db2.gz	PBOSGYOZFGHKQC-CGTJXYLNSA-N	1	0	370.501	1.864	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCOCC(F)(F)F)C[C@H]1c1cncn1C	ZINC001131023331	940457138	/nfs/dbraw/zinc/45/71/38/940457138.db2.gz	XTUAPHMVOJMBRP-CHWSQXEVSA-N	1	0	360.380	1.459	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccnc2C2CC2)C[C@H]1c1cncn1C	ZINC001131025847	940459046	/nfs/dbraw/zinc/45/90/46/940459046.db2.gz	GGTLLSIRSHDIIO-QZTJIDSGSA-N	1	0	363.465	1.914	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CC)C1	ZINC001131040101	940468054	/nfs/dbraw/zinc/46/80/54/940468054.db2.gz	LQUZOGJDJFYKLM-HLIPFELVSA-N	1	0	358.486	1.556	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCF)C1	ZINC001131040555	940468896	/nfs/dbraw/zinc/46/88/96/940468896.db2.gz	ZTAGYCNSMNVOQG-GPMSIDNRSA-N	1	0	366.481	1.893	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2nccc3occc32)C[C@H]1c1cncn1C	ZINC001131033944	940470347	/nfs/dbraw/zinc/47/03/47/940470347.db2.gz	ZKFKFNBNSBIQOG-HZPDHXFCSA-N	1	0	363.421	1.782	20	30		FDEDRO
CC[NH+](CC)CCNC(=O)c1cc(N[C@H](C#N)C(N)=O)nc2ccccc21	ZINC001170532153	940470845	/nfs/dbraw/zinc/47/08/45/940470845.db2.gz	ZVMFCKARHCKCPF-MRXNPFEDSA-N	1	0	368.441	1.096	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CCOC)C1	ZINC001131041978	940471565	/nfs/dbraw/zinc/47/15/65/940471565.db2.gz	HVRFSTVTPWCGIA-IAGOWNOFSA-N	1	0	358.486	1.556	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccnn2C)C1	ZINC001131057486	940477737	/nfs/dbraw/zinc/47/77/37/940477737.db2.gz	KBJWJEWBMGLDQT-CGTJXYLNSA-N	1	0	370.501	1.840	20	30		FDEDRO
N#C[C@H](Nc1ncccc1C1(C#N)CC[NH+](Cc2ccccc2)CC1)C(N)=O	ZINC001170533277	940478218	/nfs/dbraw/zinc/47/82/18/940478218.db2.gz	ZAHREFHWZIEQGZ-SFHVURJKSA-N	1	0	374.448	1.928	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CC2CC(OCC)C2)C[C@H]1c1cncn1C	ZINC001131055656	940481593	/nfs/dbraw/zinc/48/15/93/940481593.db2.gz	GVXNOTGWMXQLEH-OPQOLIRYSA-N	1	0	358.486	1.533	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@H]1c1cncn1C	ZINC001131055748	940481714	/nfs/dbraw/zinc/48/17/14/940481714.db2.gz	KPZJRXXGRGPJPP-RKVPGOIHSA-N	1	0	350.438	1.399	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC#CCOC)C2)CC1	ZINC001131068020	940483204	/nfs/dbraw/zinc/48/32/04/940483204.db2.gz	IBIZKBRCASUFRU-RTBURBONSA-N	1	0	370.497	1.700	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2CC3(CC3)C2)C[C@H]1c1cncn1C	ZINC001131068110	940483235	/nfs/dbraw/zinc/48/32/35/940483235.db2.gz	MMUGDLYTIGPEPG-IAGOWNOFSA-N	1	0	358.486	1.697	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCCC)C2)c1	ZINC001131068226	940483361	/nfs/dbraw/zinc/48/33/61/940483361.db2.gz	UAJZFFXTDQBJAV-QZTJIDSGSA-N	1	0	351.454	1.794	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2cncs2)C[C@H]1c1cncn1C	ZINC001131070069	940484200	/nfs/dbraw/zinc/48/42/00/940484200.db2.gz	DQZDDOIHSIVKIM-HZPDHXFCSA-N	1	0	357.483	1.417	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1c1cncn1C	ZINC001131070395	940484429	/nfs/dbraw/zinc/48/44/29/940484429.db2.gz	SVVSOIQYTZUNGU-YYIAUSFCSA-N	1	0	373.501	1.172	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccncc2Cl)C[C@H]1c1cncn1C	ZINC001131079787	940487110	/nfs/dbraw/zinc/48/71/10/940487110.db2.gz	VGKNOQWSTMGQFG-GDBMZVCRSA-N	1	0	357.845	1.690	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn(CCC)c2)C[C@H]1c1cncn1C	ZINC001131083983	940489078	/nfs/dbraw/zinc/48/90/78/940489078.db2.gz	HNTWCLDSFIEUDV-IAGOWNOFSA-N	1	0	356.474	1.801	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)no2)C[C@H]1c1cncn1C	ZINC001131084504	940489454	/nfs/dbraw/zinc/48/94/54/940489454.db2.gz	WMDKQISGDCRYKN-GDBMZVCRSA-N	1	0	355.442	1.753	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc(OC)c2C)C[C@H]1c1cncn1C	ZINC001131076442	940491136	/nfs/dbraw/zinc/49/11/36/940491136.db2.gz	MZWZYFVBIYLQKK-QZTJIDSGSA-N	1	0	366.465	1.958	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2cn[nH]c2)C[C@H]1c1cncn1C	ZINC001131086017	940493266	/nfs/dbraw/zinc/49/32/66/940493266.db2.gz	BQBLASWJZWSBEX-IAGOWNOFSA-N	1	0	356.474	1.626	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)COc2cccnc2)C[C@H]1c1cncn1C	ZINC001131089701	940495077	/nfs/dbraw/zinc/49/50/77/940495077.db2.gz	VBWUADGBOAOMHU-QZTJIDSGSA-N	1	0	369.469	1.744	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1c1cncn1C	ZINC001131093924	940496664	/nfs/dbraw/zinc/49/66/64/940496664.db2.gz	MIPCEIFQLNGCJD-BZUAXINKSA-N	1	0	356.474	1.625	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCCOC)C2)cn1	ZINC001131113343	940499409	/nfs/dbraw/zinc/49/94/09/940499409.db2.gz	XIOZJELUVSMACN-QZTJIDSGSA-N	1	0	367.453	1.031	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2coc(CC3CC3)n2)C[C@H]1c1cncn1C	ZINC001131099887	940499566	/nfs/dbraw/zinc/49/95/66/940499566.db2.gz	YTSUTSVIOWCGJB-HZPDHXFCSA-N	1	0	367.453	1.582	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn(CC3CC3)c2)C[C@H]1c1cncn1C	ZINC001131106231	940501886	/nfs/dbraw/zinc/50/18/86/940501886.db2.gz	QJDVPKVZPBCKFB-QZTJIDSGSA-N	1	0	366.469	1.248	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2C(C)(C)C)C[C@H]1c1cncn1C	ZINC001131108033	940502454	/nfs/dbraw/zinc/50/24/54/940502454.db2.gz	GZHIIDHOHQAPKF-HZPDHXFCSA-N	1	0	368.485	1.662	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2cccc(F)c2)C[C@H]1c1cncn1C	ZINC001131117557	940504201	/nfs/dbraw/zinc/50/42/01/940504201.db2.gz	DFXXEDZHSWUTSH-QZTJIDSGSA-N	1	0	354.429	1.709	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COCCCCCC)C[C@H]1c1cncn1C	ZINC001131117858	940504532	/nfs/dbraw/zinc/50/45/32/940504532.db2.gz	WDECNVDIGDIYCB-QZTJIDSGSA-N	1	0	360.502	1.924	20	30		FDEDRO
CCn1cccc1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CCOC)C1	ZINC001131120865	940506268	/nfs/dbraw/zinc/50/62/68/940506268.db2.gz	AOVRVMRKBCXZGK-IAGOWNOFSA-N	1	0	369.469	1.089	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)c2)C[C@H]1c1cncn1C	ZINC001131126223	940508081	/nfs/dbraw/zinc/50/80/81/940508081.db2.gz	WVIOINLAWBIJFY-IAGOWNOFSA-N	1	0	356.474	1.247	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C[C@H]1c1cncn1C	ZINC001131130395	940511138	/nfs/dbraw/zinc/51/11/38/940511138.db2.gz	KFCAOXAQKDUQDO-NHPMYSMKSA-N	1	0	352.482	1.620	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2nonc2C)C[C@H]1c1cncn1C	ZINC001131132416	940512387	/nfs/dbraw/zinc/51/23/87/940512387.db2.gz	JVURTLZMYLGGLA-BPLDGKMQSA-N	1	0	358.446	1.664	20	30		FDEDRO
Cc1c(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)nnn1C	ZINC001086664104	940544659	/nfs/dbraw/zinc/54/46/59/940544659.db2.gz	XQKOCHVZBQPVFG-XJKSGUPXSA-N	1	0	370.432	1.823	20	30		FDEDRO
CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CSCC#N)C1	ZINC001131300775	940546663	/nfs/dbraw/zinc/54/66/63/940546663.db2.gz	DIOFLGREVJFPME-ZNMIVQPWSA-N	1	0	366.487	1.149	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCOCC)C1	ZINC001131307199	940549014	/nfs/dbraw/zinc/54/90/14/940549014.db2.gz	LXYOEMPBDDDEFG-OAGGEKHMSA-N	1	0	351.447	1.095	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)COCC=C)C1	ZINC001131307604	940549408	/nfs/dbraw/zinc/54/94/08/940549408.db2.gz	XXOITCBWXJHZDV-ZACQAIPSSA-N	1	0	363.458	1.261	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C2(COC)CC2)C1	ZINC001131310067	940549666	/nfs/dbraw/zinc/54/96/66/940549666.db2.gz	GPVLVKCLECDGPZ-OAGGEKHMSA-N	1	0	363.458	1.095	20	30		FDEDRO
C=CCN1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1	ZINC001131313358	940553020	/nfs/dbraw/zinc/55/30/20/940553020.db2.gz	PCDBJFUBNUAPIR-BBWFWOEESA-N	1	0	364.490	1.010	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ccncn2)C1	ZINC001131313614	940553301	/nfs/dbraw/zinc/55/33/01/940553301.db2.gz	XWUKIQFNBDRGCP-OIISXLGYSA-N	1	0	371.441	1.162	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccnc2)CC1	ZINC001131413581	940563237	/nfs/dbraw/zinc/56/32/37/940563237.db2.gz	ZNDIRJPGTCEUAI-MOPGFXCFSA-N	1	0	359.470	1.884	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2=COCCO2)CC1	ZINC001131410317	940566010	/nfs/dbraw/zinc/56/60/10/940566010.db2.gz	BBBGAHKLPQIMEY-AEFFLSMTSA-N	1	0	350.459	1.827	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(CC)CC)CC1	ZINC001131429381	940567271	/nfs/dbraw/zinc/56/72/71/940567271.db2.gz	BPFCZYQVCFIXTB-MJGOQNOKSA-N	1	0	365.518	1.711	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccsc2)CC1	ZINC001131418959	940567986	/nfs/dbraw/zinc/56/79/86/940567986.db2.gz	IIDFUFUUMAAQBC-MSOLQXFVSA-N	1	0	362.495	1.997	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H](C)OC)CC1	ZINC001131452014	940605848	/nfs/dbraw/zinc/60/58/48/940605848.db2.gz	ZRBIPBNRVIZGPO-WDYCEAGBSA-N	1	0	354.491	1.600	20	30		FDEDRO
C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2ccccn2)CC1	ZINC001131453974	940607119	/nfs/dbraw/zinc/60/71/19/940607119.db2.gz	GZQCTUZPTVGEFG-QUCCMNQESA-N	1	0	359.470	1.770	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NC(C)(C)C)CC1	ZINC001131454230	940608409	/nfs/dbraw/zinc/60/84/09/940608409.db2.gz	RINJTKHNBIPXBB-UNEWFSDZSA-N	1	0	364.490	1.046	20	30		FDEDRO
C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCC(C)C)CC1	ZINC001131461465	940612378	/nfs/dbraw/zinc/61/23/78/940612378.db2.gz	MJPYJQVLBZDMOZ-QUCCMNQESA-N	1	0	368.518	1.847	20	30		FDEDRO
C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCCCOC)CC1	ZINC001131461015	940614964	/nfs/dbraw/zinc/61/49/64/940614964.db2.gz	AYIHTRFVUBEQKC-QUCCMNQESA-N	1	0	368.518	1.991	20	30		FDEDRO
C#CCCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](CC)C(N)=O)CC1	ZINC001131476290	940619876	/nfs/dbraw/zinc/61/98/76/940619876.db2.gz	ZJYLYMRLOSWRQL-SCTDSRPQSA-N	1	0	363.502	1.430	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H]2COC(=O)C2)CC1	ZINC001131467533	940623980	/nfs/dbraw/zinc/62/39/80/940623980.db2.gz	DGPIQUSVAGDCMY-OGWOLHLISA-N	1	0	350.459	1.501	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H]2COC(=O)C2)CC1	ZINC001131467711	940624020	/nfs/dbraw/zinc/62/40/20/940624020.db2.gz	MZSASEIBDSIKGZ-VPWXQRGCSA-N	1	0	364.486	1.892	20	30		FDEDRO
C=CCOCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)COC)CC1	ZINC001131467807	940624441	/nfs/dbraw/zinc/62/44/41/940624441.db2.gz	RPYSORZNGMFSGJ-HQRMLTQVSA-N	1	0	368.518	1.990	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2nnc[nH]2)CC1	ZINC001131472902	940627428	/nfs/dbraw/zinc/62/74/28/940627428.db2.gz	DIVIPXXYQLRIPF-APWZRJJASA-N	1	0	361.490	1.689	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COC(C)(C)C)CC1	ZINC001131479020	940635514	/nfs/dbraw/zinc/63/55/14/940635514.db2.gz	PQAAXUZNAUYADY-MJGOQNOKSA-N	1	0	366.502	1.437	20	30		FDEDRO
C#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cncn2C)CC1	ZINC001131483339	940638798	/nfs/dbraw/zinc/63/87/98/940638798.db2.gz	ZATZDKLPQXRAQN-QUCCMNQESA-N	1	0	358.486	1.709	20	30		FDEDRO
C#CCOCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H](F)CC)CC1	ZINC001131498952	940649311	/nfs/dbraw/zinc/64/93/11/940649311.db2.gz	VKYMOEVTUBFTCV-SCTDSRPQSA-N	1	0	354.466	1.760	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(OC)ns2)CC1	ZINC001131499954	940650739	/nfs/dbraw/zinc/65/07/39/940650739.db2.gz	AXAQZOPXPILXNU-PBHICJAKSA-N	1	0	363.483	1.774	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)c2ccnn2C)CC1	ZINC001131500323	940651276	/nfs/dbraw/zinc/65/12/76/940651276.db2.gz	RRMYVXYTKGEIIG-SUMDDJOVSA-N	1	0	358.486	1.533	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1)OCC	ZINC001131510437	940659386	/nfs/dbraw/zinc/65/93/86/940659386.db2.gz	INIDECKGXNEOBG-AOIWGVFYSA-N	1	0	354.491	1.336	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c(C3CC3)cnn2C)CC1	ZINC001131515502	940680378	/nfs/dbraw/zinc/68/03/78/940680378.db2.gz	NWBWDBXTAGFJNZ-QUCCMNQESA-N	1	0	370.497	1.920	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2nc(CC)c[nH]2)CC1	ZINC001131515666	940681262	/nfs/dbraw/zinc/68/12/62/940681262.db2.gz	XMTGJEOSBYOGEA-XLIONFOSSA-N	1	0	358.486	1.524	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(OCC)n[nH]2)CC1	ZINC001131519072	940687611	/nfs/dbraw/zinc/68/76/11/940687611.db2.gz	DMTNQWFVVBSVRL-QAPCUYQASA-N	1	0	360.458	1.431	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCc2cc(C)no2)CC1	ZINC001131519333	940688364	/nfs/dbraw/zinc/68/83/64/940688364.db2.gz	LAQIHSVFBWMXOE-MJGOQNOKSA-N	1	0	361.442	1.119	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2cc(C3CC3)nn2)CC1	ZINC001131512235	940694869	/nfs/dbraw/zinc/69/48/69/940694869.db2.gz	UOUAKIWACZIOIM-XLIONFOSSA-N	1	0	371.485	1.165	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@]2(C)CNC(=O)C2)CC1	ZINC001131533642	940704339	/nfs/dbraw/zinc/70/43/39/940704339.db2.gz	PWCAHXHLKZLQGF-IMFGXOCKSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn3cccnc3n2)CC1	ZINC001131526496	940711414	/nfs/dbraw/zinc/71/14/14/940711414.db2.gz	WJFMMRJYQLTYTO-AEFFLSMTSA-N	1	0	369.469	1.905	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2cncc(C)c2)CC1	ZINC001131535642	940724794	/nfs/dbraw/zinc/72/47/94/940724794.db2.gz	JOLABSMJUWTIRE-CTNGQTDRSA-N	1	0	355.482	1.942	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(CCF)CC2)CC1	ZINC001131535633	940724893	/nfs/dbraw/zinc/72/48/93/940724893.db2.gz	JFJNZMHFCYCFHW-MSOLQXFVSA-N	1	0	366.477	1.762	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCNC(=O)C(C)(C)C)CC1	ZINC001131538376	940726378	/nfs/dbraw/zinc/72/63/78/940726378.db2.gz	MLMMTVDSFZSBHO-AEFFLSMTSA-N	1	0	363.502	1.158	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N(C)C)CC1	ZINC001131538147	940726404	/nfs/dbraw/zinc/72/64/04/940726404.db2.gz	HTNKLOJMGPJJOC-AEFFLSMTSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](COC)OC)CC1	ZINC001131559984	940734242	/nfs/dbraw/zinc/73/42/42/940734242.db2.gz	QVSBSPPBQMSXBI-KURKYZTESA-N	1	0	354.491	1.600	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2OCC[C@H]2C)CC1	ZINC001131564157	940740155	/nfs/dbraw/zinc/74/01/55/940740155.db2.gz	DTZPONBKMRFIQG-YSHGAJCASA-N	1	0	364.486	1.047	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCCC(=O)N2)CC1	ZINC001131564146	940740232	/nfs/dbraw/zinc/74/02/32/940740232.db2.gz	DFOUMQLWRRPIKR-AOIWGVFYSA-N	1	0	361.486	1.054	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CCO[C@H]2C2CC2)c1	ZINC001131566306	940741511	/nfs/dbraw/zinc/74/15/11/940741511.db2.gz	USTIXNNOXJESBE-MJGOQNOKSA-N	1	0	355.438	1.127	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnc(C3CC3)nc2)CC1	ZINC001131575204	940752071	/nfs/dbraw/zinc/75/20/71/940752071.db2.gz	URYXIKWOZKSIHR-MOPGFXCFSA-N	1	0	368.481	1.977	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)Oc2ccccn2)CC1	ZINC001131593187	940764693	/nfs/dbraw/zinc/76/46/93/940764693.db2.gz	QBZWQSXSVWZCCR-POAQFYNOSA-N	1	0	371.481	1.858	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc3ncccn3n2)CC1	ZINC001131580314	940766534	/nfs/dbraw/zinc/76/65/34/940766534.db2.gz	PWTFPVWZFBYRSU-APWZRJJASA-N	1	0	369.469	1.905	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2ncccn2)CC1	ZINC001131582972	940768922	/nfs/dbraw/zinc/76/89/22/940768922.db2.gz	JINIGQSZAOSJMY-XLIONFOSSA-N	1	0	358.486	1.971	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCc2ccncc2)CC1	ZINC001131585324	940771335	/nfs/dbraw/zinc/77/13/35/940771335.db2.gz	UNHINHXGXLAQMI-QUCCMNQESA-N	1	0	359.470	1.770	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCc2nc(C)no2)CC1	ZINC001131604782	940774338	/nfs/dbraw/zinc/77/43/38/940774338.db2.gz	GSCDXMAAFSXGGE-APWZRJJASA-N	1	0	362.474	1.872	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCOCCOCC)CC1	ZINC001131597187	940780810	/nfs/dbraw/zinc/78/08/10/940780810.db2.gz	PTWOFTLTOTVFGL-QUCCMNQESA-N	1	0	368.518	1.991	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1	ZINC001131599714	940783222	/nfs/dbraw/zinc/78/32/22/940783222.db2.gz	IMLHMVJIYDINFE-IRLDBZIGSA-N	1	0	370.493	1.579	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@](C)(NC(C)=O)C(C)C)CC1	ZINC001131608517	940788006	/nfs/dbraw/zinc/78/80/06/940788006.db2.gz	COYRPLARJQAAKQ-HBFSDRIKSA-N	1	0	365.518	1.709	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCn2cc(C)cn2)CC1	ZINC001131610445	940790409	/nfs/dbraw/zinc/79/04/09/940790409.db2.gz	QQHQTVMQPYXDQM-QUCCMNQESA-N	1	0	358.486	1.591	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[C@]2(C)CCC(=O)N2)CC1	ZINC001131614968	940793710	/nfs/dbraw/zinc/79/37/10/940793710.db2.gz	BZTVLOQENMOAHY-UXPWSPDFSA-N	1	0	363.502	1.607	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COC[C@H]2CCCO2)CC1	ZINC001131616315	940794465	/nfs/dbraw/zinc/79/44/65/940794465.db2.gz	LRDLVZUIZUPSES-GGPKGHCWSA-N	1	0	364.486	1.191	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CCCO1	ZINC000809304388	940809330	/nfs/dbraw/zinc/80/93/30/940809330.db2.gz	JCERETWDYPUJCN-ROUUACIJSA-N	1	0	361.486	1.008	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2c3c(cccc3C(=O)OC)NC(=O)[C@@H]2C)CC1	ZINC000809323113	940819886	/nfs/dbraw/zinc/81/98/86/940819886.db2.gz	WIJMWOKDFKUNSR-ZDUSSCGKSA-N	1	0	369.421	1.492	20	30		FDEDRO
C#CCOc1ccc(C[N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cc1	ZINC000809784771	940902284	/nfs/dbraw/zinc/90/22/84/940902284.db2.gz	NAKMJOYOFSYBEJ-KRWDZBQOSA-N	1	0	362.495	1.992	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)nn1	ZINC001086675907	940923799	/nfs/dbraw/zinc/92/37/99/940923799.db2.gz	CNMSYTSJDQNFLN-QWHCGFSZSA-N	1	0	354.414	1.373	20	30		FDEDRO
N#CCOc1cccc(CC(=O)O[C@H]2CCCN(c3cc[nH+]c(N)n3)C2)c1	ZINC000810763655	941053711	/nfs/dbraw/zinc/05/37/11/941053711.db2.gz	CQADCLUAXBYOBT-INIZCTEOSA-N	1	0	367.409	1.716	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1	ZINC000747823687	941280832	/nfs/dbraw/zinc/28/08/32/941280832.db2.gz	ABVUWYGDVGRCGY-UHFFFAOYSA-N	1	0	358.398	1.385	20	30		FDEDRO
C#C[C@@H](NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(F)cc1	ZINC000812893653	941293505	/nfs/dbraw/zinc/29/35/05/941293505.db2.gz	ZMIRWKLKGYUZCM-RTBURBONSA-N	1	0	374.460	1.206	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(c1ccccc1)C(C)C	ZINC001134053201	941529734	/nfs/dbraw/zinc/52/97/34/941529734.db2.gz	OQYLKHNGIYBNJQ-MSOLQXFVSA-N	1	0	359.470	1.725	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N[C@@H](C)CCCCCC	ZINC001134054437	941531142	/nfs/dbraw/zinc/53/11/42/941531142.db2.gz	JLBDUNGPBVAMHR-BBWFWOEESA-N	1	0	353.507	1.758	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1	ZINC001086717765	941575843	/nfs/dbraw/zinc/57/58/43/941575843.db2.gz	PITGBFPOKFZWBW-LSDHHAIUSA-N	1	0	369.473	1.684	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(=O)N(C)Cc2ccc(OC)cc2)CC1	ZINC000747965625	941696744	/nfs/dbraw/zinc/69/67/44/941696744.db2.gz	MLTKYBKMDMEPOR-UHFFFAOYSA-N	1	0	357.454	1.115	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@H](O)COCc2ccccc2Cl)CC1	ZINC000747968511	941702321	/nfs/dbraw/zinc/70/23/21/941702321.db2.gz	LMSRJGHVSDKRHA-KRWDZBQOSA-N	1	0	364.873	1.679	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2[nH]c(=O)[nH]c2C)C1	ZINC001086723972	941707810	/nfs/dbraw/zinc/70/78/10/941707810.db2.gz	DMQXCJBIGIUQMQ-WDEREUQCSA-N	1	0	357.252	1.820	20	30		FDEDRO
CC(=NN=C1NS(=O)(=O)c2ccccc21)c1ccc2c(c1)CC[NH2+]CC2	ZINC000814798455	941721788	/nfs/dbraw/zinc/72/17/88/941721788.db2.gz	GFXVCUKPUJVYDK-UHFFFAOYSA-N	1	0	368.462	1.838	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001086725189	941724909	/nfs/dbraw/zinc/72/49/09/941724909.db2.gz	OAOUTNJINCEOJJ-JKSUJKDBSA-N	1	0	353.426	1.984	20	30		FDEDRO
C#CC[N@@H+](C)CCCNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-]	ZINC000814928947	941740698	/nfs/dbraw/zinc/74/06/98/941740698.db2.gz	CLVQMKCVVWYTIJ-UHFFFAOYSA-N	1	0	354.432	1.212	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(C)c(C(=O)OCC)c1	ZINC000815083423	941778333	/nfs/dbraw/zinc/77/83/33/941778333.db2.gz	XXDZYYRPFDNUBE-UHFFFAOYSA-N	1	0	352.456	1.405	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3onc(C)c3C)C2)C1=O	ZINC001086727618	941880625	/nfs/dbraw/zinc/88/06/25/941880625.db2.gz	BWHYWZFZBCWVKY-XHSDSOJGSA-N	1	0	360.458	1.566	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccc(O)cc1	ZINC001135067738	941883262	/nfs/dbraw/zinc/88/32/62/941883262.db2.gz	KOLNTGKERVPIRG-WMZOPIPTSA-N	1	0	361.442	1.408	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CCCNC(=O)C(F)(F)F	ZINC001135061251	941887068	/nfs/dbraw/zinc/88/70/68/941887068.db2.gz	QWTUCSUBSPOVSM-STQMWFEESA-N	1	0	365.396	1.132	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1=O	ZINC001135121309	941917718	/nfs/dbraw/zinc/91/77/18/941917718.db2.gz	LBBPSFRJXMCWPK-BBWFWOEESA-N	1	0	361.873	1.936	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)N1CCC(C)CC1	ZINC001135145866	941929740	/nfs/dbraw/zinc/92/97/40/941929740.db2.gz	WPLIQPWSQRKJAX-IKGGRYGDSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)N(C(C)C)C(C)C	ZINC001135145816	941929750	/nfs/dbraw/zinc/92/97/50/941929750.db2.gz	VBCOCOXRRPIZOJ-IKGGRYGDSA-N	1	0	353.507	1.707	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1cc(C)ccc1C	ZINC001135147502	941942280	/nfs/dbraw/zinc/94/22/80/941942280.db2.gz	JTUKRVZVJYXGAQ-LPHOPBHVSA-N	1	0	359.470	1.929	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(F)c1C(=O)OCC	ZINC000815860624	941996311	/nfs/dbraw/zinc/99/63/11/941996311.db2.gz	UCBKDSMLYYCBCF-UHFFFAOYSA-N	1	0	363.389	1.012	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Cl)c2ncccc12	ZINC000815861313	941997373	/nfs/dbraw/zinc/99/73/73/941997373.db2.gz	BPBMZHOOWBDOBZ-UHFFFAOYSA-N	1	0	358.829	1.898	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N[C@H]1CN(c2ccc(Br)cc2)C1=O	ZINC000817028477	942468530	/nfs/dbraw/zinc/46/85/30/942468530.db2.gz	JHLAPMKNYKPWAW-ZDUSSCGKSA-N	1	0	352.232	1.398	20	30		FDEDRO
Cn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3F)C2)[nH]c1=O	ZINC001086794158	942532579	/nfs/dbraw/zinc/53/25/79/942532579.db2.gz	DZFIMNIOUSAHFT-DZGCQCFKSA-N	1	0	371.416	1.825	20	30		FDEDRO
C=CC[NH+](CC=C)CCN1CCN(C(=S)NC(=O)c2ccccc2)CC1	ZINC001195406786	970913019	/nfs/dbraw/zinc/91/30/19/970913019.db2.gz	URSKGMFJSHQYQB-UHFFFAOYSA-N	1	0	372.538	1.993	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3CCC)C2)c1	ZINC001086798388	942635331	/nfs/dbraw/zinc/63/53/31/942635331.db2.gz	KIHDGGLBZOSFSV-FUHWJXTLSA-N	1	0	366.469	1.753	20	30		FDEDRO
CN(C[C@H]1CCC[N@@H+]1C)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O	ZINC000817373459	942727191	/nfs/dbraw/zinc/72/71/91/942727191.db2.gz	OBGXZXOOOHSKAD-APWZRJJASA-N	1	0	355.442	1.309	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)C(=O)CCCC2	ZINC000817390782	942750452	/nfs/dbraw/zinc/75/04/52/942750452.db2.gz	UGPVVPAUKYVCCI-UHFFFAOYSA-N	1	0	355.438	1.606	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001086804126	942768701	/nfs/dbraw/zinc/76/87/01/942768701.db2.gz	SLWAMVJPDGZOCQ-SVGFKBNWSA-N	1	0	370.453	1.063	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)cc1	ZINC001086804800	942788355	/nfs/dbraw/zinc/78/83/55/942788355.db2.gz	HQXFRNLTZMGAOU-ZSYWTGECSA-N	1	0	368.481	1.834	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnc(C)s2)C1	ZINC001086806152	942801219	/nfs/dbraw/zinc/80/12/19/942801219.db2.gz	DQNUYFOWFMWUNE-YJNKXOJESA-N	1	0	350.488	1.812	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnnn2CCC)C1	ZINC001086807496	942830739	/nfs/dbraw/zinc/83/07/39/942830739.db2.gz	DRZFEEBHLNBLTN-JJXSEGSLSA-N	1	0	362.478	1.049	20	30		FDEDRO
CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1nc(C#N)c(C#N)nc1-c1ccccc1	ZINC001170873502	942833217	/nfs/dbraw/zinc/83/32/17/942833217.db2.gz	DNZGOFOAAAZBEP-CZUORRHYSA-N	1	0	362.393	1.450	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1	ZINC000817843961	943007604	/nfs/dbraw/zinc/00/76/04/943007604.db2.gz	NCRLYONHTVKUAY-LJQANCHMSA-N	1	0	353.466	1.474	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c1	ZINC000817843963	943007646	/nfs/dbraw/zinc/00/76/46/943007646.db2.gz	NDFAVBKIWNKTEF-LJQANCHMSA-N	1	0	353.466	1.761	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CC[C@@H](OCC[NH+](CC)CC)C2)c1	ZINC000817846471	943009334	/nfs/dbraw/zinc/00/93/34/943009334.db2.gz	SMCZORGDQQMLNP-LJQANCHMSA-N	1	0	371.481	1.243	20	30		FDEDRO
O=C(NCC[NH2+]Cc1ccc2c(c1)OC(F)(F)O2)C1N=CC=CC1=O	ZINC000818187630	943192750	/nfs/dbraw/zinc/19/27/50/943192750.db2.gz	OOJKNMKKPDHLEV-CCEZHUSRSA-N	1	0	351.309	1.624	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2	ZINC000818588781	943297677	/nfs/dbraw/zinc/29/76/77/943297677.db2.gz	GLYIKEVGOXQHJP-UHFFFAOYSA-N	1	0	359.514	1.780	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CN1c2cccc3cccc(c23)S1(=O)=O	ZINC000818615507	943304072	/nfs/dbraw/zinc/30/40/72/943304072.db2.gz	NKNFNBKTQYHXJM-UHFFFAOYSA-N	1	0	371.462	1.420	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1	ZINC000818593256	943323674	/nfs/dbraw/zinc/32/36/74/943323674.db2.gz	RZUSKASIHTVJBJ-UHFFFAOYSA-N	1	0	357.863	1.396	20	30		FDEDRO
C=C[C@@H]1C[C@@]1(Nc1ccc([C@H]2CC3(C[NH2+]C3)C(=O)N2)cc1)C(=O)OCC	ZINC001170917693	943362862	/nfs/dbraw/zinc/36/28/62/943362862.db2.gz	LLUAMWZJHQFZBR-KKVAFCGZSA-N	1	0	355.438	1.757	20	30		FDEDRO
CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]CCNc2ncccc2C#N)cc1	ZINC000818974457	943389408	/nfs/dbraw/zinc/38/94/08/943389408.db2.gz	AGESUPLBPJWDEH-KRWDZBQOSA-N	1	0	369.425	1.353	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)cc1	ZINC000819055456	943397537	/nfs/dbraw/zinc/39/75/37/943397537.db2.gz	QRTXKWRGPHJDJZ-VQIMIIECSA-N	1	0	350.422	1.559	20	30		FDEDRO
CC(C)(C)OC(=O)NCCC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1	ZINC000819016130	943403821	/nfs/dbraw/zinc/40/38/21/943403821.db2.gz	VAYPGVUZPOYABC-UHFFFAOYSA-N	1	0	367.471	1.836	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1	ZINC000819246172	943481658	/nfs/dbraw/zinc/48/16/58/943481658.db2.gz	DNAFNGCYNBJUNE-HOTGVXAUSA-N	1	0	354.495	1.572	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@H]2COC3(CCOCC3)O2)cc1	ZINC000819216688	943491538	/nfs/dbraw/zinc/49/15/38/943491538.db2.gz	WSHJUEHEQPYHHE-AEFFLSMTSA-N	1	0	362.426	1.004	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)cc1	ZINC000819295211	943507121	/nfs/dbraw/zinc/50/71/21/943507121.db2.gz	RPHGJYRBASUIIK-QUCCMNQESA-N	1	0	365.433	1.861	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]Cc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1	ZINC000819296946	943507368	/nfs/dbraw/zinc/50/73/68/943507368.db2.gz	GRNYYVSXESDDPI-HXUWFJFHSA-N	1	0	368.437	1.141	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000819582691	943634631	/nfs/dbraw/zinc/63/46/31/943634631.db2.gz	ORZWKTKUYALYQJ-QGZVFWFLSA-N	1	0	355.482	1.983	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCC)CC1	ZINC000819741596	943725697	/nfs/dbraw/zinc/72/56/97/943725697.db2.gz	DNZXZTZAXZCGBM-LJQANCHMSA-N	1	0	353.466	1.421	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@]2(Cc3ccccc3)CCN(C)C2=O)CC1	ZINC000820197322	943946254	/nfs/dbraw/zinc/94/62/54/943946254.db2.gz	MTKINKUKXGKVIE-JOCHJYFZSA-N	1	0	367.493	1.682	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)C1	ZINC001195548552	971039405	/nfs/dbraw/zinc/03/94/05/971039405.db2.gz	CBDLCIDBBUJVBM-ARFHVFGLSA-N	1	0	351.491	1.151	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCc2ccc(S(=O)(=O)N(C)C)s2)CC1	ZINC000820370907	944035878	/nfs/dbraw/zinc/03/58/78/944035878.db2.gz	UEZPEFKQHWWWNG-UHFFFAOYSA-N	1	0	370.496	1.387	20	30		FDEDRO
N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH+]1[C@H](CO)CC[C@H]1CO	ZINC001195588716	971060523	/nfs/dbraw/zinc/06/05/23/971060523.db2.gz	GDKCKHHGOLSHAC-KKUMJFAQSA-N	1	0	352.394	1.041	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(C)cc(C)[nH]c2=O)C1	ZINC001195561054	971074145	/nfs/dbraw/zinc/07/41/45/971074145.db2.gz	DMUCHCLLTWRTSS-QZTJIDSGSA-N	1	0	361.486	1.854	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1	ZINC000856354679	971090496	/nfs/dbraw/zinc/09/04/96/971090496.db2.gz	JFEVCVICMYQKPD-ZBBYCGENSA-N	1	0	368.437	1.294	20	30		FDEDRO
CN1C(=O)CS/C1=C\C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000821755764	944631644	/nfs/dbraw/zinc/63/16/44/944631644.db2.gz	GJRVXPQHBAIQRJ-WQRHYEAKSA-N	1	0	370.478	1.708	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)CC[N@H+](C)C2CC2)s1	ZINC000822026015	944806303	/nfs/dbraw/zinc/80/63/03/944806303.db2.gz	PVNXWTOEKHNLCR-UHFFFAOYSA-N	1	0	371.528	1.308	20	30		FDEDRO
C#C[C@@H](NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1)[C@H]1CCCO1	ZINC000822074381	944850466	/nfs/dbraw/zinc/85/04/66/944850466.db2.gz	XFRFBXGLYLLUAS-RHSMWYFYSA-N	1	0	356.426	1.214	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)cc1	ZINC000823105031	945446167	/nfs/dbraw/zinc/44/61/67/945446167.db2.gz	RNMHIMMQABYIDU-UHFFFAOYSA-N	1	0	371.481	1.715	20	30		FDEDRO
C#C[C@H](NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)C1CCOCC1	ZINC000823169015	945548373	/nfs/dbraw/zinc/54/83/73/945548373.db2.gz	URQRRESYTDFSCA-IBGZPJMESA-N	1	0	362.518	1.084	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N(C)CCCN1C(=O)c2ccccc2C1=O	ZINC000823650185	945889828	/nfs/dbraw/zinc/88/98/28/945889828.db2.gz	SEAFTOSZXIJDOQ-UHFFFAOYSA-N	1	0	370.453	1.269	20	30		FDEDRO
COc1nccc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1	ZINC000824114868	946240786	/nfs/dbraw/zinc/24/07/86/946240786.db2.gz	BHKVXSHHRCUQPF-UHFFFAOYSA-N	1	0	351.410	1.751	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H](C)[C@H](NC(=O)[C@H](C3CC3)[NH+](C)C)C2)n1	ZINC001090780715	946577804	/nfs/dbraw/zinc/57/78/04/946577804.db2.gz	OASQVTLSXSXYGZ-DWQUBVKVSA-N	1	0	356.474	1.192	20	30		FDEDRO
C#CCCCCC(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1	ZINC001573283350	946713119	/nfs/dbraw/zinc/71/31/19/946713119.db2.gz	HRJMNCVHYSILLH-MRXNPFEDSA-N	1	0	353.430	1.184	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)C1	ZINC001573283682	946721871	/nfs/dbraw/zinc/72/18/71/946721871.db2.gz	USQOFRBUBFFNKH-HNNXBMFYSA-N	1	0	367.457	1.392	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1	ZINC001573283835	946727008	/nfs/dbraw/zinc/72/70/08/946727008.db2.gz	WCTYPKIWJVIRHV-UONOGXRCSA-N	1	0	353.430	1.002	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573284473	946748387	/nfs/dbraw/zinc/74/83/87/946748387.db2.gz	DLHVQXWNVKBNGM-AWEZNQCLSA-N	1	0	370.432	1.747	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CCCCNc1cnc2onc(C(=O)OC)c2n1	ZINC001171068334	946773774	/nfs/dbraw/zinc/77/37/74/946773774.db2.gz	WGNSTBODUVLXCR-JTQLQIEISA-N	1	0	363.374	1.043	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1	ZINC001573285337	946776654	/nfs/dbraw/zinc/77/66/54/946776654.db2.gz	GTBXTWDXHXPGRK-OLZOCXBDSA-N	1	0	374.470	1.047	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)cc1	ZINC001573288010	946852327	/nfs/dbraw/zinc/85/23/27/946852327.db2.gz	HGAKLPUHCPTLPR-OAHLLOKOSA-N	1	0	373.420	1.239	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)cc1	ZINC001573290785	946910450	/nfs/dbraw/zinc/91/04/50/946910450.db2.gz	PLLOOMWVUNRUBZ-IYBDPMFKSA-N	1	0	373.420	1.346	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)NC[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1)OCC	ZINC001573293180	946951249	/nfs/dbraw/zinc/95/12/49/946951249.db2.gz	NUEBVZGYMAWRHJ-XJKSGUPXSA-N	1	0	373.461	1.280	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1	ZINC001573561414	946962227	/nfs/dbraw/zinc/96/22/27/946962227.db2.gz	KNOPNCOFFGJFDC-NSHDSACASA-N	1	0	359.459	1.511	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2C1	ZINC001573294028	946974011	/nfs/dbraw/zinc/97/40/11/946974011.db2.gz	RQERZIPGWUWLHF-AEGPPILISA-N	1	0	355.446	1.601	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H](C[N@H+](C)Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573564071	946987862	/nfs/dbraw/zinc/98/78/62/946987862.db2.gz	FKXUKPCRDCPBQS-CHWSQXEVSA-N	1	0	371.420	1.446	20	30		FDEDRO
CN(CCC#N)c1ccc(CN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)cc1	ZINC000825148220	946996518	/nfs/dbraw/zinc/99/65/18/946996518.db2.gz	RBHVSUCSVKLALL-HXUWFJFHSA-N	1	0	369.513	1.823	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1	ZINC001573295253	947011059	/nfs/dbraw/zinc/01/10/59/947011059.db2.gz	MUVVTZUGSXBXRI-RYUDHWBXSA-N	1	0	363.853	1.778	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1	ZINC001573566037	947021030	/nfs/dbraw/zinc/02/10/30/947021030.db2.gz	ZJEGCHTUTMKCIR-NSHDSACASA-N	1	0	357.393	1.246	20	30		FDEDRO
C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1	ZINC001573295617	947025426	/nfs/dbraw/zinc/02/54/26/947025426.db2.gz	SELYGDMNQGDJCF-UHFFFAOYSA-N	1	0	361.837	1.578	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C(C)(C)C	ZINC001573296862	947054783	/nfs/dbraw/zinc/05/47/83/947054783.db2.gz	ABFGIULGUDOXNC-GFCCVEGCSA-N	1	0	351.842	1.681	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1	ZINC001573567764	947055336	/nfs/dbraw/zinc/05/53/36/947055336.db2.gz	SFWZTTHSABSITQ-GXTWGEPZSA-N	1	0	371.420	1.588	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@]2(C1)CCCN(c1cc[nH+]cc1-c1nn[nH]n1)C2	ZINC001573567925	947058830	/nfs/dbraw/zinc/05/88/30/947058830.db2.gz	UYEQJUNSJICWPA-FZKQIMNGSA-N	1	0	366.429	1.240	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@]2(CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1	ZINC001573567977	947062663	/nfs/dbraw/zinc/06/26/63/947062663.db2.gz	VWQTWXHTQOILNM-IFXJQAMLSA-N	1	0	365.441	1.451	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21	ZINC001573569573	947073444	/nfs/dbraw/zinc/07/34/44/947073444.db2.gz	BNQTVRUNCLKAQQ-DAXOMENPSA-N	1	0	351.414	1.059	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@](C)(C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CC1	ZINC001573569806	947078922	/nfs/dbraw/zinc/07/89/22/947078922.db2.gz	FQCKJNXEUYHCNP-VOJFVSQTSA-N	1	0	371.420	1.540	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573299272	947091321	/nfs/dbraw/zinc/09/13/21/947091321.db2.gz	SDEFJFFVSCZCDK-QMTHXVAHSA-N	1	0	363.853	1.778	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)[C@H](C)C1	ZINC001573570708	947091981	/nfs/dbraw/zinc/09/19/81/947091981.db2.gz	SDAPVLYDCOPPHP-YWPYICTPSA-N	1	0	371.420	1.350	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CC1	ZINC001573573092	947119262	/nfs/dbraw/zinc/11/92/62/947119262.db2.gz	MOSUZZZGMGFSTF-BMIGLBTASA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1-c1nn[nH]n1	ZINC001573573455	947122114	/nfs/dbraw/zinc/12/21/14/947122114.db2.gz	NIVNDFZDQBPYFV-WWTUQBGBSA-N	1	0	365.441	1.638	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@]1(C)CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573573823	947125584	/nfs/dbraw/zinc/12/55/84/947125584.db2.gz	PNSPNZJYUDGIKM-PIGZYNQJSA-N	1	0	357.393	1.246	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H](C)CCCCNc1cc[nH+]cc1-c1nn[nH]n1	ZINC001573301388	947136975	/nfs/dbraw/zinc/13/69/75/947136975.db2.gz	ZTCDHBRZTCUKKK-ZDUSSCGKSA-N	1	0	357.462	1.983	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1	ZINC001573576637	947154136	/nfs/dbraw/zinc/15/41/36/947154136.db2.gz	IMIXLZFPGHCSFW-VXGBXAGGSA-N	1	0	359.459	1.559	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1(C)C	ZINC001573577520	947170057	/nfs/dbraw/zinc/17/00/57/947170057.db2.gz	QSKPUPLYFSOVEI-SWLSCSKDSA-N	1	0	353.430	1.353	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573584250	947215188	/nfs/dbraw/zinc/21/51/88/947215188.db2.gz	RXKMUJZRZXRQGU-YPMHNXCESA-N	1	0	357.393	1.104	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1	ZINC001573585188	947249290	/nfs/dbraw/zinc/24/92/90/947249290.db2.gz	MFDSFIDWGSMVGP-SRMUXQRQSA-N	1	0	351.414	1.248	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)[C@@H]1C	ZINC001573585782	947267008	/nfs/dbraw/zinc/26/70/08/947267008.db2.gz	WGULKYDERHCLNR-RWSFTLGLSA-N	1	0	357.393	1.244	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573586614	947290833	/nfs/dbraw/zinc/29/08/33/947290833.db2.gz	RXDRWXSYNIZGCE-JTNHKYCSSA-N	1	0	357.393	1.150	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1c1ccc(OC)cc1	ZINC001090863022	947307290	/nfs/dbraw/zinc/30/72/90/947307290.db2.gz	VGIAANFZESRDSU-RBUKOAKNSA-N	1	0	353.422	1.712	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2[NH2+]CCn2cncn2)cc1	ZINC001090866924	947360449	/nfs/dbraw/zinc/36/04/49/947360449.db2.gz	RJCZQPLVACAYJK-JCGIZDLHSA-N	1	0	368.441	1.031	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)C[C@H]1c1ccc(OC)cc1	ZINC001090867395	947371002	/nfs/dbraw/zinc/37/10/02/947371002.db2.gz	MOEVNNZUJIYXQD-IPMKNSEASA-N	1	0	359.470	1.096	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1CCC[C@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1	ZINC001573327414	947387552	/nfs/dbraw/zinc/38/75/52/947387552.db2.gz	DIXGOROYUADBEF-UGSOOPFHSA-N	1	0	373.461	1.106	20	30		FDEDRO
CC[C@@H]([NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1ccc(OC)cc1)C(N)=O	ZINC001090870925	947416873	/nfs/dbraw/zinc/41/68/73/947416873.db2.gz	FXYVFIRORMPLST-IPMKNSEASA-N	1	0	369.465	1.257	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O	ZINC001573333905	947444996	/nfs/dbraw/zinc/44/49/96/947444996.db2.gz	HKDRGUITZLEJNY-IAGOWNOFSA-N	1	0	370.457	1.274	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1c1ccc(OC)cc1	ZINC001090874893	947484149	/nfs/dbraw/zinc/48/41/49/947484149.db2.gz	WXTPVIPDSIBDFZ-YTQUADARSA-N	1	0	371.481	1.682	20	30		FDEDRO
C=CCCOCC(=O)N1CCCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1	ZINC001573337613	947519310	/nfs/dbraw/zinc/51/93/10/947519310.db2.gz	ZFASTTQMMOHYTG-AWEZNQCLSA-N	1	0	371.445	1.069	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cn2cncc2C)C[C@H]1c1ccc(OC)cc1	ZINC001090876006	947552252	/nfs/dbraw/zinc/55/22/52/947552252.db2.gz	MIURSKMMYQZTNF-RBUKOAKNSA-N	1	0	354.454	1.970	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1c1ccc(OC)cc1	ZINC001090879989	947584971	/nfs/dbraw/zinc/58/49/71/947584971.db2.gz	SUACITHODYIFQD-IPMKNSEASA-N	1	0	371.481	1.776	20	30		FDEDRO
C[C@@H]1C[N@H+](CCO)CCN1CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC001171099003	947616399	/nfs/dbraw/zinc/61/63/99/947616399.db2.gz	NXYNYGAXNIIPLA-CYBMUJFWSA-N	1	0	362.499	1.435	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c(C)nc[nH]c2=O)C[C@H]1c1ccc(OC)cc1	ZINC001090878787	947616689	/nfs/dbraw/zinc/61/66/89/947616689.db2.gz	ZBSNFMWYDQMXPR-DLBZAZTESA-N	1	0	368.437	1.883	20	30		FDEDRO
CC#CC[NH2+]C[C@]1(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCCC[C@@H]1C	ZINC001573357959	947654760	/nfs/dbraw/zinc/65/47/60/947654760.db2.gz	DJMGWNTWAXQRHM-SCLBCKFNSA-N	1	0	355.446	1.486	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)c2)C[C@H]1c1ccc(OC)cc1	ZINC001090885553	947662801	/nfs/dbraw/zinc/66/28/01/947662801.db2.gz	VMEHLXGZPRZQOO-VQTJNVASSA-N	1	0	366.465	1.579	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)NC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC	ZINC000844107470	947758638	/nfs/dbraw/zinc/75/86/38/947758638.db2.gz	RLKQNRQIVINWLG-CQSZACIVSA-N	1	0	371.403	1.844	20	30		FDEDRO
CO[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1	ZINC001090926260	947941480	/nfs/dbraw/zinc/94/14/80/947941480.db2.gz	JAYCLPDBBIVKSQ-QZTJIDSGSA-N	1	0	371.485	1.538	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)CN(C)C[C@H](O)c2cccc(C#N)c2)CC1	ZINC000844367605	948018128	/nfs/dbraw/zinc/01/81/28/948018128.db2.gz	AIRUNYYTDWPRIH-IBGZPJMESA-N	1	0	358.486	1.512	20	30		FDEDRO
N#Cc1cncc(C[N@H+]2C[C@@H]3COC[C@@H](C(=O)N4CCCCO4)[C@@H]3C2)c1	ZINC001144074842	948187604	/nfs/dbraw/zinc/18/76/04/948187604.db2.gz	GMXCGPRMTKBDOA-KZNAEPCWSA-N	1	0	356.426	1.202	20	30		FDEDRO
CCOC(=O)[C@H]1CCCc2sc(NC(=O)CN(C)C(N)=[NH2+])c(C#N)c21	ZINC001144127951	948278855	/nfs/dbraw/zinc/27/88/55/948278855.db2.gz	AUYOSRWNNPKLIY-VIFPVBQESA-N	1	0	363.443	1.367	20	30		FDEDRO
C=C(C(=O)N1CCCn2cnc(COCC[NH+](C)C)c2C1)C(F)(F)F	ZINC001144207356	948380658	/nfs/dbraw/zinc/38/06/58/948380658.db2.gz	GIBGUGRFIGTTKE-UHFFFAOYSA-N	1	0	360.380	1.812	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC([NH2+]Cc2nnc(C(C)C)[nH]2)C1	ZINC001091034365	948558449	/nfs/dbraw/zinc/55/84/49/948558449.db2.gz	KGMDJGYVLBNKGR-FJBKBRRZSA-N	1	0	361.490	1.894	20	30		FDEDRO
COc1ccc(C[NH2+]C2CC(CNC(=O)[C@]34C[C@H]3COC4)C2)cc1C#N	ZINC001091039775	948576356	/nfs/dbraw/zinc/57/63/56/948576356.db2.gz	JDPLCAAGSFPVQC-VQEPCJJFSA-N	1	0	355.438	1.588	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c(C)ncc3C2)C1	ZINC001196167695	971517173	/nfs/dbraw/zinc/51/71/73/971517173.db2.gz	FOVYFKLZMCMMNR-QXAKKESOSA-N	1	0	362.518	1.886	20	30		FDEDRO
C[C@@H](NC(=O)C#CC1CC1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001575248738	949080533	/nfs/dbraw/zinc/08/05/33/949080533.db2.gz	VBNXBMXPFBZQET-CYBMUJFWSA-N	1	0	350.426	1.217	20	30		FDEDRO
C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@@H+](Cc1ccc(OC)cn1)C2	ZINC001144428281	949161503	/nfs/dbraw/zinc/16/15/03/949161503.db2.gz	ZWSPAAKKUIAGEB-HXUWFJFHSA-N	1	0	358.486	1.773	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573793003	949276953	/nfs/dbraw/zinc/27/69/53/949276953.db2.gz	HYAGFIBQROQUAV-INIZCTEOSA-N	1	0	352.442	1.607	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1	ZINC001573793718	949300238	/nfs/dbraw/zinc/30/02/38/949300238.db2.gz	WZZJLJROWKRAEO-LBPRGKRZSA-N	1	0	358.471	1.668	20	30		FDEDRO
CC(C)C1(O)CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000845743749	949875696	/nfs/dbraw/zinc/87/56/96/949875696.db2.gz	CWRANRGTMQZNLC-UHFFFAOYSA-N	1	0	356.470	1.935	20	30		FDEDRO
C[C@@H]1[C@H](COC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC[N@@H+]1C	ZINC000845810811	949923523	/nfs/dbraw/zinc/92/35/23/949923523.db2.gz	OLAVYEKBBPGJFP-HIFRSBDPSA-N	1	0	365.455	1.376	20	30		FDEDRO
CC(C)C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H](C)C#N	ZINC001574150593	950031572	/nfs/dbraw/zinc/03/15/72/950031572.db2.gz	CAFOZWPIXKLCLI-SWLSCSKDSA-N	1	0	373.436	1.786	20	30		FDEDRO
C[C@@H](C#N)CN(C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)C1CC1	ZINC000845875069	950047702	/nfs/dbraw/zinc/04/77/02/950047702.db2.gz	LDNPINQIVYZPHC-DZGCQCFKSA-N	1	0	352.479	1.982	20	30		FDEDRO
CC[N@H+](CCNS(=O)(=O)c1ccc(C#N)cc1C(=O)OC)C(C)C	ZINC000845917623	950087364	/nfs/dbraw/zinc/08/73/64/950087364.db2.gz	UNWHMBAQHUQOKO-UHFFFAOYSA-N	1	0	353.444	1.353	20	30		FDEDRO
C#C[C@H](NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)[C@H]1CCCO1	ZINC000845957199	950174929	/nfs/dbraw/zinc/17/49/29/950174929.db2.gz	RBFIEMWSGMOXPP-SOUVJXGZSA-N	1	0	353.463	1.128	20	30		FDEDRO
C[C@H](CNC(=O)c1c[nH]c(C#N)c1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1	ZINC001574983460	950220861	/nfs/dbraw/zinc/22/08/61/950220861.db2.gz	OGSCPUSYTAKXJT-SNVBAGLBSA-N	1	0	370.442	1.378	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)c2snnc2CO)[C@H]2CC[C@H]([NH3+])CC2)cc1	ZINC001196368561	971644984	/nfs/dbraw/zinc/64/49/84/971644984.db2.gz	ZYOBRZXCXSQBMU-SHTZXODSSA-N	1	0	371.466	1.814	20	30		FDEDRO
C=C(CN1C(=O)NC2(CC[NH+](Cc3ccccc3)CC2)C1=O)C(=O)OCC	ZINC000857223985	971656062	/nfs/dbraw/zinc/65/60/62/971656062.db2.gz	XZBXWPZJHUIPEW-UHFFFAOYSA-N	1	0	371.437	1.692	20	30		FDEDRO
C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1ccccc1C#N	ZINC001574746390	950393937	/nfs/dbraw/zinc/39/39/37/950393937.db2.gz	ODSQEGTUKKSIGT-LBPRGKRZSA-N	1	0	364.413	1.317	20	30		FDEDRO
C=CC[C@@H]1CC[C@@H]([NH2+]CC(=O)Nc2cccc(S(=O)(=O)NC)c2)C1	ZINC000846053935	950417417	/nfs/dbraw/zinc/41/74/17/950417417.db2.gz	YPFNDIWQYAEASX-ZIAGYGMSSA-N	1	0	351.472	1.868	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCCO[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1	ZINC000857235875	971664888	/nfs/dbraw/zinc/66/48/88/971664888.db2.gz	BLRRKOREVVRFLD-LSDHHAIUSA-N	1	0	355.479	1.903	20	30		FDEDRO
N#Cc1cccnc1NCCNC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1	ZINC000846139511	950619777	/nfs/dbraw/zinc/61/97/77/950619777.db2.gz	OSURVQVGJQFFOM-GVDBMIGSSA-N	1	0	372.473	1.293	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([N@@H+](CCO)CCOC)CC1	ZINC001098495377	950809192	/nfs/dbraw/zinc/80/91/92/950809192.db2.gz	RCNPVQSATAPFOL-ROUUACIJSA-N	1	0	354.491	1.289	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@@H]3CCN(C(=O)CCC[NH+](C)C)C[C@@H]32)n1	ZINC001091226021	951096237	/nfs/dbraw/zinc/09/62/37/951096237.db2.gz	HMDCCYLKRJAMLL-RDJZCZTQSA-N	1	0	370.501	1.680	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(CCC)C2)C1	ZINC001196460819	971717337	/nfs/dbraw/zinc/71/73/37/971717337.db2.gz	LXGNDLWNRLORPT-BRWVUGGUSA-N	1	0	351.491	1.153	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(C)c1Cl)C2	ZINC001110720668	971727163	/nfs/dbraw/zinc/72/71/63/971727163.db2.gz	OYMAJDZLMDOFQH-OXHZDVMGSA-N	1	0	365.865	1.099	20	30		FDEDRO
C=C(Br)C[NH2+]C1CC(CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1	ZINC001091234261	951169463	/nfs/dbraw/zinc/16/94/63/951169463.db2.gz	BONGXHYGBYSGFA-IFWUJCSASA-N	1	0	358.280	1.104	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](CC2(OC)CCC2)C(=O)OCC)CC1	ZINC000846517737	951221855	/nfs/dbraw/zinc/22/18/55/951221855.db2.gz	TVRJJIQQRVDXNO-MRXNPFEDSA-N	1	0	350.459	1.339	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CC[NH+]2CCCCC2)cc1	ZINC000846613238	951375706	/nfs/dbraw/zinc/37/57/06/951375706.db2.gz	SFHQXGMLMVXCAO-UHFFFAOYSA-N	1	0	363.483	1.156	20	30		FDEDRO
COc1ccc2c(c1)c1c(n2CC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CCCC1	ZINC000846677589	951439752	/nfs/dbraw/zinc/43/97/52/951439752.db2.gz	NUEMKAUUBRBDKK-GUYCJALGSA-N	1	0	352.438	1.756	20	30		FDEDRO
CC1(C)CCN1C(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000846742073	951550546	/nfs/dbraw/zinc/55/05/46/951550546.db2.gz	INQBFDGBOGILEH-UHFFFAOYSA-N	1	0	354.454	1.650	20	30		FDEDRO
C=CCOC(=O)N[C@H]1CCCN(C(=O)[C@H]([NH3+])Cc2cccc(OC)c2)C1	ZINC001144936822	951588908	/nfs/dbraw/zinc/58/89/08/951588908.db2.gz	BZFUBPOFJPULIR-DOTOQJQBSA-N	1	0	361.442	1.468	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ccccc4)C[C@]3(C)C2)C1=O	ZINC001091443240	951806817	/nfs/dbraw/zinc/80/68/17/951806817.db2.gz	AWBZFBKFYRWCAN-LQWHRVPQSA-N	1	0	353.466	1.867	20	30		FDEDRO
C[C@]12CN(C(=O)C3=COCCO3)C[C@H]1C[N@H+](Cc1ccc(C#N)s1)C2	ZINC001091456295	951815354	/nfs/dbraw/zinc/81/53/54/951815354.db2.gz	ARXWBRKQNQTXRO-ACJLOTCBSA-N	1	0	359.451	1.788	20	30		FDEDRO
C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)c1c[nH]c(C#N)c1	ZINC001575101667	951861885	/nfs/dbraw/zinc/86/18/85/951861885.db2.gz	IEVDIYHWJDWCCJ-JTQLQIEISA-N	1	0	370.442	1.378	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cccc(C)n4)C[C@]3(C)C2)C1=O	ZINC001091490717	951896825	/nfs/dbraw/zinc/89/68/25/951896825.db2.gz	XXGCHSUGSOKIHY-MMOPVJDHSA-N	1	0	368.481	1.571	20	30		FDEDRO
Cn1cc(CC(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@@]3(C)C2)cn1	ZINC001091528301	951945282	/nfs/dbraw/zinc/94/52/82/951945282.db2.gz	CPZBAHQXJZCQAE-BEFAXECRSA-N	1	0	369.494	1.876	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(CNC(C)=O)c1)C2	ZINC001110118847	952085334	/nfs/dbraw/zinc/08/53/34/952085334.db2.gz	MJFMCQYVZYZUIP-AABGKKOBSA-N	1	0	369.465	1.308	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[C@@H](Nc2ncccc2C#N)C1	ZINC001091578402	952133736	/nfs/dbraw/zinc/13/37/36/952133736.db2.gz	AQVBHSWNFANLHF-SOLBZPMBSA-N	1	0	371.485	1.618	20	30		FDEDRO
N#Cc1nccc(N[C@@H]2CC[C@H](CNC(=O)CC[NH+]3CCCCC3)C2)n1	ZINC001091580914	952147197	/nfs/dbraw/zinc/14/71/97/952147197.db2.gz	FTNMDSHMEXABID-JKSUJKDBSA-N	1	0	356.474	1.343	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C(C)(C)C1	ZINC001571086168	952201577	/nfs/dbraw/zinc/20/15/77/952201577.db2.gz	YMUFKTPHQLWBAG-IAQYHMDHSA-N	1	0	371.420	1.492	20	30		FDEDRO
Cc1cnc(C[N@@H+]2C[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@]3(C)C2)cn1	ZINC001091605537	952234800	/nfs/dbraw/zinc/23/48/00/952234800.db2.gz	XZKXLOHVVWKTIZ-KUHUBIRLSA-N	1	0	350.426	1.579	20	30		FDEDRO
Cc1cc(C#N)nc(N[C@@H]2CC[C@H](CNC(=O)[C@H](C3CC3)[NH+](C)C)C2)n1	ZINC001091611700	952291323	/nfs/dbraw/zinc/29/13/23/952291323.db2.gz	ZLJRWLNZGHCBGZ-LXZKKBNFSA-N	1	0	356.474	1.694	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(F)cccc2NC(C)=O)C1	ZINC001196624563	971821304	/nfs/dbraw/zinc/82/13/04/971821304.db2.gz	YKPDILRMXJLXHM-JCURWCKSSA-N	1	0	363.433	1.914	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H](O)C(C)C)C[C@]3(C)C2)cc1C#N	ZINC001091643741	952465222	/nfs/dbraw/zinc/46/52/22/952465222.db2.gz	YGJLJPCKMJSKGS-QFUCXCTJSA-N	1	0	371.481	1.864	20	30		FDEDRO
C[C@]12CN(C(=O)[C@]34C[C@H]3COC4)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001091686243	952640063	/nfs/dbraw/zinc/64/00/63/952640063.db2.gz	XYQOMHJQEFGJJD-MXNKGDRCSA-N	1	0	350.462	1.855	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCOCC(F)(F)F)C2	ZINC001148310354	952679675	/nfs/dbraw/zinc/67/96/75/952679675.db2.gz	DRBDMFSZHNEKKL-KGLIPLIRSA-N	1	0	362.392	1.691	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cc(Br)n[nH]3)C[C@]2(C)C1	ZINC001091709582	952698426	/nfs/dbraw/zinc/69/84/26/952698426.db2.gz	RWYOGJJHYJQXDM-ABAIWWIYSA-N	1	0	351.248	1.589	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC(=O)N(CCOC)C3)C[C@]2(C)C1	ZINC001091715361	952711846	/nfs/dbraw/zinc/71/18/46/952711846.db2.gz	YSQSGFRRFFIBGF-QKLQHJQFSA-N	1	0	363.502	1.228	20	30		FDEDRO
COCC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3ccc(OC)cc3)C2)C1	ZINC001148418448	952724748	/nfs/dbraw/zinc/72/47/48/952724748.db2.gz	LLAIZEIOELZYJY-VQTJNVASSA-N	1	0	368.477	1.983	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3cn(-c4cccnc4)nn3)C[C@]2(C)C1	ZINC001091722109	952726545	/nfs/dbraw/zinc/72/65/45/952726545.db2.gz	XSZMGFQJFUEJCM-BEFAXECRSA-N	1	0	352.442	1.632	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+]([C@@H](CCCC)C(N)=O)C2	ZINC001148424060	952726593	/nfs/dbraw/zinc/72/65/93/952726593.db2.gz	JMUCXSOCIUVKMI-ULQDDVLXSA-N	1	0	363.502	1.546	20	30		FDEDRO
C[C@]12CN(C(=O)C[C@@H]3CCNC3=O)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001091734649	952761325	/nfs/dbraw/zinc/76/13/25/952761325.db2.gz	ZGJDTZOVDRTBNE-UEXGIBASSA-N	1	0	366.465	1.365	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@@]2(C)C1	ZINC001091736810	952763884	/nfs/dbraw/zinc/76/38/84/952763884.db2.gz	DISCYSHFESRFRH-MDYRTPRTSA-N	1	0	356.470	1.299	20	30		FDEDRO
C=C(Cl)CN1C[C@@H]2CN(C(=O)[C@H](Cn3cccn3)N(C)C)C[C@]2(C)C1	ZINC001091737020	952764511	/nfs/dbraw/zinc/76/45/11/952764511.db2.gz	HDADDYGOGYOEEW-RYRKJORJSA-N	1	0	365.909	1.346	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CNC(=O)c4ccccc43)C[C@]2(C)C1	ZINC001091746428	952786829	/nfs/dbraw/zinc/78/68/29/952786829.db2.gz	NJLOJCRKOZOIJX-YWMUFLPLSA-N	1	0	351.450	1.317	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cccnc3)C[C@@]2(C)C1	ZINC001091748440	952793761	/nfs/dbraw/zinc/79/37/61/952793761.db2.gz	LJJCSHWFCADORI-DYXWJJEUSA-N	1	0	352.482	1.460	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(C(=O)N[C@@H](CS)C(=O)OC)cc2)CC1	ZINC001149010102	952835848	/nfs/dbraw/zinc/83/58/48/952835848.db2.gz	CDJOWNGHFWEYHS-HNNXBMFYSA-N	1	0	351.472	1.030	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNC(=O)c1cnccn1)C2	ZINC001110122306	952836632	/nfs/dbraw/zinc/83/66/32/952836632.db2.gz	IHOWUVDBAPCWTM-CBZIJGRNSA-N	1	0	371.485	1.673	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cn(CC)cn3)C2)C1=O	ZINC001086854635	952873504	/nfs/dbraw/zinc/87/35/04/952873504.db2.gz	IJYQAOJPFYNVOV-XHSDSOJGSA-N	1	0	359.474	1.178	20	30		FDEDRO
CC(=O)N1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1	ZINC001086864282	952891340	/nfs/dbraw/zinc/89/13/40/952891340.db2.gz	LHLIFGAMWADOPL-XUVXKRRUSA-N	1	0	368.481	1.801	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@H]3CCNC(=O)CC3)C2)nc1	ZINC001086857008	952903846	/nfs/dbraw/zinc/90/38/46/952903846.db2.gz	GEWPZYPNVCNSJS-FGTMMUONSA-N	1	0	368.481	1.467	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NCc3csnn3)C2)CC1	ZINC001086882418	952914202	/nfs/dbraw/zinc/91/42/02/952914202.db2.gz	PXGOCOILHPVDMF-GOEBONIOSA-N	1	0	361.515	1.258	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccccc2-n2cnnn2)C1	ZINC001086872677	952921235	/nfs/dbraw/zinc/92/12/35/952921235.db2.gz	SGXPNFWMODPYHZ-UONOGXRCSA-N	1	0	360.849	1.903	20	30		FDEDRO
CSCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001086965780	952961442	/nfs/dbraw/zinc/96/14/42/952961442.db2.gz	YKLRKFURXLXCQF-ZWKOTPCHSA-N	1	0	369.494	1.739	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CCCN2C(=O)c3ccccc3C2=O)CC1	ZINC000586048087	952965306	/nfs/dbraw/zinc/96/53/06/952965306.db2.gz	GZBVALADVKHISJ-UHFFFAOYSA-N	1	0	353.422	1.277	20	30		FDEDRO
Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1c1cnn(C)c1	ZINC001086971046	952973389	/nfs/dbraw/zinc/97/33/89/952973389.db2.gz	VACICCGMFLCKEI-DOPJRALCSA-N	1	0	352.442	1.367	20	30		FDEDRO
CCc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1c1cnn(C)c1	ZINC001086971155	952973409	/nfs/dbraw/zinc/97/34/09/952973409.db2.gz	ZYEHKULCNIETSX-YLQAJVPDSA-N	1	0	356.430	1.214	20	30		FDEDRO
Cc1csc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2c2cnn(C)c2)n1	ZINC001086971073	952973437	/nfs/dbraw/zinc/97/34/37/952973437.db2.gz	WBLWVKSOYPSJNO-TUKIKUTGSA-N	1	0	358.471	1.429	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cc(C3CC3)no2)C1	ZINC001086971252	952973943	/nfs/dbraw/zinc/97/39/43/952973943.db2.gz	DQVZOIDNQNIZGE-ULFGMLNVSA-N	1	0	368.441	1.529	20	30		FDEDRO
Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2c2cnn(C)c2)sn1	ZINC001086971450	952974316	/nfs/dbraw/zinc/97/43/16/952974316.db2.gz	OFJBFZXVCQGCKB-XFBWCDHKSA-N	1	0	358.471	1.429	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC2CC(F)(F)C2)C1	ZINC001086971562	952974370	/nfs/dbraw/zinc/97/43/70/952974370.db2.gz	UAAHOTGRWGFDHB-TUKIKUTGSA-N	1	0	351.401	1.509	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnn3ccc(C)cc23)C[C@H]1c1cnn(C)c1	ZINC001086983426	952997177	/nfs/dbraw/zinc/99/71/77/952997177.db2.gz	OJCZHSRADHGUCS-ZWKOTPCHSA-N	1	0	364.453	1.760	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)C[C@@H](C)CC3)C[C@H]1c1cnn(C)c1	ZINC001086983704	952997679	/nfs/dbraw/zinc/99/76/79/952997679.db2.gz	CLAAXYNAMVSSOM-BHYGNILZSA-N	1	0	366.469	1.030	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnc3cc[nH]c3c2)C[C@H]1c1cnn(C)c1	ZINC001086984093	952998444	/nfs/dbraw/zinc/99/84/44/952998444.db2.gz	ZOVBVLYLBNYTMM-MAUKXSAKSA-N	1	0	350.426	1.680	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCn3nccc32)C[C@H]1c1cnn(C)c1	ZINC001086985006	953000536	/nfs/dbraw/zinc/00/05/36/953000536.db2.gz	OZBWAWKHEMHMKR-OKZBNKHCSA-N	1	0	368.485	1.654	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)C2CCOCC2)C[C@H]1c1cnn(C)c1	ZINC001086986824	953007898	/nfs/dbraw/zinc/00/78/98/953007898.db2.gz	LPLVZQQTSPYISV-ZWKOTPCHSA-N	1	0	360.502	1.943	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccnc3ccncc32)C[C@H]1c1cnn(C)c1	ZINC001086989904	953015749	/nfs/dbraw/zinc/01/57/49/953015749.db2.gz	ZPZKGNFPZJTFQI-PKOBYXMFSA-N	1	0	362.437	1.747	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc3ccccc3n2C)C[C@H]1c1cnn(C)c1	ZINC001086993837	953028248	/nfs/dbraw/zinc/02/82/48/953028248.db2.gz	VJCYQZDLGWQCBV-ZWKOTPCHSA-N	1	0	361.449	1.743	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccc(OCC)nc2)C[C@H]1c1cnn(C)c1	ZINC001086981629	953033552	/nfs/dbraw/zinc/03/35/52/953033552.db2.gz	UJKWWMXJKCZRSN-ZWKOTPCHSA-N	1	0	369.469	1.988	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(F)F)nc2)C[C@H]1c1cnn(C)c1	ZINC001086982067	953034399	/nfs/dbraw/zinc/03/43/99/953034399.db2.gz	RQROAYXIYXIODP-GOEBONIOSA-N	1	0	359.380	1.584	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c(C)ncc3C2)C[C@H]1c1cnn(C)c1	ZINC001086997278	953040335	/nfs/dbraw/zinc/04/03/35/953040335.db2.gz	WAIUPHZRJYTNIJ-ZYSHUDEJSA-N	1	0	368.485	1.258	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccnc(N(C)C)c2)C[C@H]1c1cnn(C)c1	ZINC001087000495	953051283	/nfs/dbraw/zinc/05/12/83/953051283.db2.gz	ZDXUEEQJRJCJJZ-DLBZAZTESA-N	1	0	354.458	1.265	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)C[C@H](C)O3)C[C@H]1c1cnn(C)c1	ZINC001087002061	953056889	/nfs/dbraw/zinc/05/68/89/953056889.db2.gz	DWHOWSLUMNNXPH-ZOCIIQOWSA-N	1	0	364.449	1.575	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccnn2C)C1	ZINC001086995035	953066427	/nfs/dbraw/zinc/06/64/27/953066427.db2.gz	IXLTULUPPSCTGK-NSHGMRRFSA-N	1	0	370.501	1.840	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(F)ccc(C)c2F)C[C@H]1c1cnn(C)c1	ZINC001086994968	953066630	/nfs/dbraw/zinc/06/66/30/953066630.db2.gz	FHKNELPTNQJKML-GOEBONIOSA-N	1	0	358.392	1.838	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cnn(C)c2)C1	ZINC001086995151	953067013	/nfs/dbraw/zinc/06/70/13/953067013.db2.gz	NRTNLNMTHNDQIL-NSHGMRRFSA-N	1	0	370.501	1.840	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087021800	953086508	/nfs/dbraw/zinc/08/65/08/953086508.db2.gz	JXLUYZMBNHIGRV-QZTJIDSGSA-N	1	0	371.437	1.400	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc(OC)c2OC)C[C@H]1c1cnn(C)c1	ZINC001087007094	953091624	/nfs/dbraw/zinc/09/16/24/953091624.db2.gz	MGPRHOIUWCJUJH-DLBZAZTESA-N	1	0	368.437	1.268	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CC(C)(C)CO2)C[C@H]1c1cnn(C)c1	ZINC001087007110	953091734	/nfs/dbraw/zinc/09/17/34/953091734.db2.gz	NIKHVRGMSCUWOY-FGTMMUONSA-N	1	0	358.486	1.533	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2nc(C)cc2C)C[C@H]1c1cnn(C)c1	ZINC001087009662	953099090	/nfs/dbraw/zinc/09/90/90/953099090.db2.gz	RNQRTMYLKUTZPK-NZSAHSFTSA-N	1	0	370.501	1.955	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(-c3ccoc3)n[nH]2)C[C@H]1c1cnn(C)c1	ZINC001087009637	953099162	/nfs/dbraw/zinc/09/91/62/953099162.db2.gz	QOFNLUIBIDPEIT-MAUKXSAKSA-N	1	0	364.409	1.234	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C23CC(C(F)(F)F)(C2)C3)C[C@H]1c1cnn(C)c1	ZINC001087011201	953103166	/nfs/dbraw/zinc/10/31/66/953103166.db2.gz	JTIXHXFZQQDONK-HOBHPSKFSA-N	1	0	366.387	1.670	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]c3ncccc23)C[C@H]1c1cnn(C)c1	ZINC001087011187	953103443	/nfs/dbraw/zinc/10/34/43/953103443.db2.gz	JFLOUGAKUKBSOJ-ZWKOTPCHSA-N	1	0	364.453	1.609	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCn2cc(C)cn2)C[C@H]1c1cnn(C)c1	ZINC001087011260	953103457	/nfs/dbraw/zinc/10/34/57/953103457.db2.gz	MKGQUYYHCZRJNB-ZWKOTPCHSA-N	1	0	356.474	1.475	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)n2nc(C)cc2C)C[C@H]1c1cnn(C)c1	ZINC001087011589	953104504	/nfs/dbraw/zinc/10/45/04/953104504.db2.gz	DYGFIEKKBNMOHZ-NZSAHSFTSA-N	1	0	370.501	1.955	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3c2cccc3Cl)C[C@H]1c1cnn(C)c1	ZINC001087011604	953104527	/nfs/dbraw/zinc/10/45/27/953104527.db2.gz	FRMPOMZGZQPHQU-ZIFCJYIRSA-N	1	0	368.868	1.931	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1nc2ccccc2n1C	ZINC001087035489	953145257	/nfs/dbraw/zinc/14/52/57/953145257.db2.gz	BYKAMJVFJXVULC-IIDMSEBBSA-N	1	0	369.469	1.686	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)/C=C/C3CC3)C[C@H]2OCC)C1=O	ZINC001087039257	953155039	/nfs/dbraw/zinc/15/50/39/953155039.db2.gz	NGZMZHUQYQOSPM-OCXQYPQTSA-N	1	0	361.486	1.193	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1nc(C)c(C)o1	ZINC001087045299	953170036	/nfs/dbraw/zinc/17/00/36/953170036.db2.gz	CCKQLMQWSZNSMG-NVXWUHKLSA-N	1	0	371.441	1.758	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+][C@@H](C)c1cnc(C)cn1	ZINC001087053617	953186245	/nfs/dbraw/zinc/18/62/45/953186245.db2.gz	YRFONVNNNDROKL-KVSKMBFKSA-N	1	0	356.470	1.713	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1ncc(CC)o1	ZINC001087045933	953192768	/nfs/dbraw/zinc/19/27/68/953192768.db2.gz	AITYGXHBAWPTGG-CXAGYDPISA-N	1	0	371.441	1.704	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1ccns1	ZINC001087045982	953192828	/nfs/dbraw/zinc/19/28/28/953192828.db2.gz	CTBCOOKTPCDOAS-MLGOLLRUSA-N	1	0	359.455	1.610	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1cnoc1C	ZINC001087047230	953195955	/nfs/dbraw/zinc/19/59/55/953195955.db2.gz	ZHCWGZIIDOXVDQ-NVXWUHKLSA-N	1	0	357.414	1.450	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CC3(C)CC3)C[C@H]2OCC)C1=O	ZINC001087067086	953217627	/nfs/dbraw/zinc/21/76/27/953217627.db2.gz	LETZAWHBDBYKLM-BRWVUGGUSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nccn3C)[C@H](OCC)C2)cc1	ZINC001087071201	953224703	/nfs/dbraw/zinc/22/47/03/953224703.db2.gz	BRDVWMFNPCUART-RTBURBONSA-N	1	0	366.465	1.668	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H](C)c2nncn2C)[C@H](OCC)C1	ZINC001087071863	953226605	/nfs/dbraw/zinc/22/66/05/953226605.db2.gz	HAASXWWEYMWOBV-ARFHVFGLSA-N	1	0	363.506	1.932	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+][C@@H]3CCN(CC)C3=O)[C@H](OCC)C2)C1	ZINC001087082694	953241349	/nfs/dbraw/zinc/24/13/49/953241349.db2.gz	WMJWOOQZABIFFS-BRWVUGGUSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]Cc3cc(OC)no3)[C@H](OCC)C2)C1	ZINC001087082591	953241442	/nfs/dbraw/zinc/24/14/42/953241442.db2.gz	RUWNSUKCDLGBFO-GDBMZVCRSA-N	1	0	363.458	1.993	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cnon2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087092291	953256473	/nfs/dbraw/zinc/25/64/73/953256473.db2.gz	DRDGTMAFZBSMAJ-NVXWUHKLSA-N	1	0	355.398	1.208	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3nnc(C)[nH]3)[C@H](OCC)C2)CC1	ZINC001087079371	953264197	/nfs/dbraw/zinc/26/41/97/953264197.db2.gz	MJWGKAAMXHHBPA-IAGOWNOFSA-N	1	0	361.490	1.813	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ccn(C)n3)[C@H](OCC)C2)nc1	ZINC001087097265	953284301	/nfs/dbraw/zinc/28/43/01/953284301.db2.gz	FVVJAADWKUWIAS-VQIMIIECSA-N	1	0	367.453	1.063	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ocnc3C)[C@H](OCC)C2)cn1	ZINC001087097300	953284484	/nfs/dbraw/zinc/28/44/84/953284484.db2.gz	HWJPRSBBJQZVST-VQIMIIECSA-N	1	0	368.437	1.626	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@]3(C)C2)cc1	ZINC001091793438	953316992	/nfs/dbraw/zinc/31/69/92/953316992.db2.gz	GWPNVTRSBGHWBZ-BLIXFSHQSA-N	1	0	369.465	1.534	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3c(C)nc4ccnn4c3C)C[C@]2(C)C1	ZINC001091803026	953331825	/nfs/dbraw/zinc/33/18/25/953331825.db2.gz	JGPQHRJDVJQCFA-UZLBHIALSA-N	1	0	351.454	1.763	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@H](NC(=O)C3(C[NH+](C)C)CC3)[C@H]2CC)n1	ZINC001091821760	953482989	/nfs/dbraw/zinc/48/29/89/953482989.db2.gz	QADXVQNWYXLONT-JKSUJKDBSA-N	1	0	370.501	1.726	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3COCCN3CC3CCC3)C[C@]2(C)C1	ZINC001091883372	953517208	/nfs/dbraw/zinc/51/72/08/953517208.db2.gz	HNJSYFKWGWUNRX-DYXWJJEUSA-N	1	0	359.514	1.291	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3COCCN3CC(F)F)C[C@]2(C)C1	ZINC001091883235	953517555	/nfs/dbraw/zinc/51/75/55/953517555.db2.gz	CRNMOLOERIGZEF-RKVPGOIHSA-N	1	0	357.445	1.309	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CCN(c3cnc(C#N)cn3)C[C@H]2C1	ZINC001091865077	953608761	/nfs/dbraw/zinc/60/87/61/953608761.db2.gz	CUGFQTLPPKNJIG-CABCVRRESA-N	1	0	356.474	1.363	20	30		FDEDRO
C[C@]1(C(=O)N2C[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@@]3(C)C2)CNC(=O)C1	ZINC001091876865	953646374	/nfs/dbraw/zinc/64/63/74/953646374.db2.gz	WQJYXGFWWLAVOC-UIFIKXQLSA-N	1	0	366.465	1.365	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+]([C@H](C)C(=O)NC4CC4)C[C@@]3(C)C2)cc1	ZINC001091905388	953671802	/nfs/dbraw/zinc/67/18/02/953671802.db2.gz	DAAIJDLQFDGQGZ-LDJQZATESA-N	1	0	365.477	1.729	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@@]3(C)C2)cc1	ZINC001091906773	953682245	/nfs/dbraw/zinc/68/22/45/953682245.db2.gz	DTIXMODHPCNTAK-UTKZUKDTSA-N	1	0	351.450	1.340	20	30		FDEDRO
C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@H](C)C2CCCCC2)C1	ZINC001196852044	971959680	/nfs/dbraw/zinc/95/96/80/971959680.db2.gz	AJJVPOFOFNHJHC-USXIJHARSA-N	1	0	351.491	1.056	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN(CC(F)F)C3)C[C@]2(C)C1	ZINC001091958041	953854923	/nfs/dbraw/zinc/85/49/23/953854923.db2.gz	YVSUYCWHRAVXKT-FCEWJHQRSA-N	1	0	353.457	1.767	20	30		FDEDRO
Cc1ccc(C#N)c(N2CC[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)[C@H]2C)n1	ZINC001091973059	953960612	/nfs/dbraw/zinc/96/06/12/953960612.db2.gz	TZXIBQXTGKVQLG-LESCRADOSA-N	1	0	371.485	1.313	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)[C@@H]1C)[NH+]1CCCC1	ZINC001091979972	953978510	/nfs/dbraw/zinc/97/85/10/953978510.db2.gz	ZNXJJEORAOVNDV-UWWQBHOKSA-N	1	0	356.474	1.552	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3C[N@H+](Cc4cccnc4)C[C@@]3(C)C2)nn1	ZINC001092080684	954228106	/nfs/dbraw/zinc/22/81/06/954228106.db2.gz	CXXYAILTJOZSBL-APWZRJJASA-N	1	0	352.442	1.453	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3csc(-c4nc[nH]n4)n3)C[C@]2(C)C1	ZINC001092094997	954273203	/nfs/dbraw/zinc/27/32/03/954273203.db2.gz	WSZOYAROJBXFAS-PXAZEXFGSA-N	1	0	356.455	1.345	20	30		FDEDRO
C[C@]12CN(C(=O)c3cnon3)C[C@H]1C[N@H+](CC#Cc1ccc(F)cc1)C2	ZINC001092116137	954352231	/nfs/dbraw/zinc/35/22/31/954352231.db2.gz	RPCQIKMYDFZOBH-BEFAXECRSA-N	1	0	354.385	1.654	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CCCS(=O)(=O)C3)C[C@]2(C)C1	ZINC001092175941	954463933	/nfs/dbraw/zinc/46/39/33/954463933.db2.gz	NCXDKJYNNFTKLP-JZXOWHBKSA-N	1	0	354.516	1.558	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)C[C@H]3CCCS(=O)(=O)C3)C[C@]2(C)C1	ZINC001092175994	954464053	/nfs/dbraw/zinc/46/40/53/954464053.db2.gz	QAWOWNJHHXPQCK-NUJGCVRESA-N	1	0	352.500	1.005	20	30		FDEDRO
C[C@]12CN(C(=O)Cc3nnc[nH]3)C[C@H]1C[N@H+](Cc1ccc(F)c(C#N)c1)C2	ZINC001092182171	954475565	/nfs/dbraw/zinc/47/55/65/954475565.db2.gz	OGIBRPLAYAGTQM-BEFAXECRSA-N	1	0	368.416	1.338	20	30		FDEDRO
C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)c3c(OC)cc[nH]c3=O)C[C@]2(C)C1	ZINC001092203747	954531522	/nfs/dbraw/zinc/53/15/22/954531522.db2.gz	WNRFPCPYFCRFFH-PXAZEXFGSA-N	1	0	351.834	1.942	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc4c(c3)C(=O)NC4=O)C[C@]2(C)C1	ZINC001092210779	954617394	/nfs/dbraw/zinc/61/73/94/954617394.db2.gz	RIKOADBPFJJRCS-VLIAUNLRSA-N	1	0	353.422	1.540	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+](Cc4cnc(C)o4)C[C@@]3(C)C2)cn1	ZINC001092211592	954618973	/nfs/dbraw/zinc/61/89/73/954618973.db2.gz	JFRNTAMJTPZEEI-UZLBHIALSA-N	1	0	350.422	1.953	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc(=O)n(CCCC)n3)C[C@]2(C)C1	ZINC001092267416	954638668	/nfs/dbraw/zinc/63/86/68/954638668.db2.gz	YWMNBRWZZJDZLM-UZLBHIALSA-N	1	0	356.470	1.461	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)C[C@]3(C)C2)n1	ZINC001092303848	954763815	/nfs/dbraw/zinc/76/38/15/954763815.db2.gz	PXFGLGBNKZOSMV-HNAYVOBHSA-N	1	0	368.485	1.283	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CCC([NH2+]Cc2ncnn2C)CC1	ZINC000964021794	1013128781	/nfs/dbraw/zinc/12/87/81/1013128781.db2.gz	HYVDXWBZSSGKKN-OBQMCRIKSA-N	1	0	361.490	1.656	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N1C[C@H]2CN(c3nc(C)cc(C#N)n3)C[C@@]2(C)C1	ZINC001092295933	954906219	/nfs/dbraw/zinc/90/62/19/954906219.db2.gz	QUJVBFUXDCKGLH-HNAYVOBHSA-N	1	0	356.474	1.283	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H](CNC(=O)C[C@@H]3CC[N@H+](C)C3)[C@H](C)C2)n1	ZINC001092384966	954983748	/nfs/dbraw/zinc/98/37/48/954983748.db2.gz	OWUZOIPXRBFZBY-OWCLPIDISA-N	1	0	370.501	1.441	20	30		FDEDRO
Cc1nsc(N2C[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@H](C)C2)c1C#N	ZINC001092434888	955089391	/nfs/dbraw/zinc/08/93/91/955089391.db2.gz	PAUBFVLUKBKGJT-TZMCWYRMSA-N	1	0	361.515	1.854	20	30		FDEDRO
C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1C	ZINC001092444818	955116234	/nfs/dbraw/zinc/11/62/34/955116234.db2.gz	JHDODJIUIOPODW-IIAWOOMASA-N	1	0	359.449	1.765	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)c1cnn(C)c1	ZINC001092455232	955164671	/nfs/dbraw/zinc/16/46/71/955164671.db2.gz	ZUEZXISYDSDSOW-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](CNC(=O)c3ccc[nH]3)[C@H](C)C2)c1	ZINC001092463788	955191959	/nfs/dbraw/zinc/19/19/59/955191959.db2.gz	VKVQOMMHAUXYPN-NVXWUHKLSA-N	1	0	364.449	1.932	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)c1nccnc1N	ZINC001092514720	955298653	/nfs/dbraw/zinc/29/86/53/955298653.db2.gz	XAYQSGOBOQURTN-VXGBXAGGSA-N	1	0	356.455	1.490	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1	ZINC001092520300	955309587	/nfs/dbraw/zinc/30/95/87/955309587.db2.gz	WQHLQCSHECLMSJ-BZUAXINKSA-N	1	0	370.501	1.441	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC001092551119	955400911	/nfs/dbraw/zinc/40/09/11/955400911.db2.gz	KIWAUZPIUVRVJJ-TZMCWYRMSA-N	1	0	364.409	1.920	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC001092551097	955401048	/nfs/dbraw/zinc/40/10/48/955401048.db2.gz	JDSAFHWGDFHISQ-UKRRQHHQSA-N	1	0	353.426	1.083	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCC[C@@H]2CN(c3ccc(C#N)nc3)C[C@H]2C)CC[N@@H+]1C	ZINC001092598284	955603058	/nfs/dbraw/zinc/60/30/58/955603058.db2.gz	VIMSYDSOCTYMRQ-YKTARERQSA-N	1	0	355.486	1.872	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CCNC(=O)C12CCC[NH+]1CCC2	ZINC001092604911	955641451	/nfs/dbraw/zinc/64/14/51/955641451.db2.gz	SRFVAESABQSZIK-HZPDHXFCSA-N	1	0	368.485	1.555	20	30		FDEDRO
O=C(CC#Cc1ccccc1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCC1=O	ZINC001110134324	955694721	/nfs/dbraw/zinc/69/47/21/955694721.db2.gz	WKEJXGACFYFFLR-AABGKKOBSA-N	1	0	365.477	1.772	20	30		FDEDRO
C[C@@H]1CCC[N@H+]1CC(=O)NCC[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C	ZINC001092584048	955730163	/nfs/dbraw/zinc/73/01/63/955730163.db2.gz	DYHQQPLFKRXUBV-BZUAXINKSA-N	1	0	356.474	1.411	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)c1ncn(C)n1	ZINC001092583913	955730367	/nfs/dbraw/zinc/73/03/67/955730367.db2.gz	XXUAFLCPWMEUOF-IUODEOHRSA-N	1	0	356.405	1.324	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)NCC[C@@H]2CN(c3ccc(C#N)nn3)C[C@H]2C)C1	ZINC001092584293	955731589	/nfs/dbraw/zinc/73/15/89/955731589.db2.gz	OJEIGCXYAOXZCB-ARFHVFGLSA-N	1	0	356.474	1.269	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](CCCCCn2cncn2)CC1	ZINC001197195371	972136797	/nfs/dbraw/zinc/13/67/97/972136797.db2.gz	APBMMYDQENRXSG-MSOLQXFVSA-N	1	0	361.490	1.574	20	30		FDEDRO
CCn1nnc(C)c1C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C	ZINC001092668769	955962147	/nfs/dbraw/zinc/96/21/47/955962147.db2.gz	RLWHWDQRVRZFQX-RDTXWAMCSA-N	1	0	366.469	1.976	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3ccncc3)c2)C1	ZINC001197206053	972147089	/nfs/dbraw/zinc/14/70/89/972147089.db2.gz	GHEAFBUGYKEVLU-RTBURBONSA-N	1	0	369.469	1.789	20	30		FDEDRO
CC(C)[N@H+](C)CC(=O)NC[C@]12CCC[C@H]1N(c1cncc(C#N)n1)CC2	ZINC001092698450	956075324	/nfs/dbraw/zinc/07/53/24/956075324.db2.gz	XMTRCLVWTLDHPV-VQIMIIECSA-N	1	0	356.474	1.554	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@H]1CCCC(=O)N1	ZINC001092707643	956131581	/nfs/dbraw/zinc/13/15/81/956131581.db2.gz	LQCDDOGSBAVFFZ-ZTFGCOKTSA-N	1	0	354.454	1.411	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1N(c1ccc(C#N)nn1)CC2	ZINC001092709634	956137811	/nfs/dbraw/zinc/13/78/11/956137811.db2.gz	ZDJLLMIAGKLKCH-OXQOHEQNSA-N	1	0	370.501	1.944	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cccnc2OC)C[C@H]1C	ZINC001092689335	956196006	/nfs/dbraw/zinc/19/60/06/956196006.db2.gz	JCYBUPHERFHHNY-QRQLOZEOSA-N	1	0	370.497	1.372	20	30		FDEDRO
N#Cc1cnc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+]2CCCCC2)C3)cn1	ZINC001092838310	956453983	/nfs/dbraw/zinc/45/39/83/956453983.db2.gz	JWKWERSWKQJEND-SQNIBIBYSA-N	1	0	368.485	1.840	20	30		FDEDRO
CCc1nc(C#N)cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[N@H+](C)C(C)C)C3)n1	ZINC001092847212	956487250	/nfs/dbraw/zinc/48/72/50/956487250.db2.gz	BARJTWXACSCNDE-PMPSAXMXSA-N	1	0	356.474	1.477	20	30		FDEDRO
COc1nccc(C(=O)NC[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)n1	ZINC001092814160	956509495	/nfs/dbraw/zinc/50/94/95/956509495.db2.gz	FWMGMJUFCGPQAB-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)nc2)CC1	ZINC001092868315	956589554	/nfs/dbraw/zinc/58/95/54/956589554.db2.gz	ZXSLQLVWJJMEOL-MNEFBYGVSA-N	1	0	369.469	1.290	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]2C)cc1	ZINC001092874588	956614574	/nfs/dbraw/zinc/61/45/74/956614574.db2.gz	PMNJPRRXAUGAKF-AHRSYUTCSA-N	1	0	366.465	1.223	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3cnnn3CC)C[C@H]2C)cc1	ZINC001092874810	956616479	/nfs/dbraw/zinc/61/64/79/956616479.db2.gz	AHOKADYNZYMVTM-CRAIPNDOSA-N	1	0	351.454	1.777	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3cccnc3C)[C@H](C)C2)C1=O	ZINC001092925710	956928694	/nfs/dbraw/zinc/92/86/94/956928694.db2.gz	CKFKPYDRZCJJTG-KYJSFNMBSA-N	1	0	356.470	1.475	20	30		FDEDRO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(Cc2nn[nH]n2)CC1	ZINC001197448855	972234602	/nfs/dbraw/zinc/23/46/02/972234602.db2.gz	FLXCFTMRXRTOEL-HVEKOLDVSA-N	1	0	373.505	1.774	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O	ZINC001092970814	957025356	/nfs/dbraw/zinc/02/53/56/957025356.db2.gz	GRJWWFZZHGMNEW-MPESAESLSA-N	1	0	358.417	1.003	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CNC(=O)c2ccnnc2)[C@H](C)C1	ZINC001092999274	957099100	/nfs/dbraw/zinc/09/91/00/957099100.db2.gz	DSAGTYSPIAOWNU-RDTXWAMCSA-N	1	0	365.437	1.855	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncccc1C#N	ZINC001093018442	957142737	/nfs/dbraw/zinc/14/27/37/957142737.db2.gz	GOPTVHKGWXVOKS-VQHPVUNQSA-N	1	0	359.449	1.859	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1	ZINC001093019161	957146443	/nfs/dbraw/zinc/14/64/43/957146443.db2.gz	WCIXESZDLNLGEJ-QXSJWSMHSA-N	1	0	360.437	1.254	20	30		FDEDRO
CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N)[NH+](CC)CC	ZINC001093043552	957206801	/nfs/dbraw/zinc/20/68/01/957206801.db2.gz	UZMZYJHWTGKXTQ-JHNDHUHGSA-N	1	0	356.474	1.695	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@@H](C)C(=O)NC)C[C@H]2C)cc1	ZINC001093032011	957245407	/nfs/dbraw/zinc/24/54/07/957245407.db2.gz	SERSKGNQIQVKFK-HLLBOEOZSA-N	1	0	357.454	1.131	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](CCO[C@H]3CC3(F)F)C[C@H]2C)nn1	ZINC001093034853	957251489	/nfs/dbraw/zinc/25/14/89/957251489.db2.gz	DZFDEHDVJGKKRQ-NFAWXSAZSA-N	1	0	369.416	1.186	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(OC)nc3)C[C@H]2C)nn1	ZINC001093035288	957253997	/nfs/dbraw/zinc/25/39/97/957253997.db2.gz	WPHZBGXVMNBIOT-GDBMZVCRSA-N	1	0	370.457	1.366	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](CCC[C@H]3CCOC3)C[C@H]2C)nn1	ZINC001093035224	957254236	/nfs/dbraw/zinc/25/42/36/957254236.db2.gz	SVTIMORNEHKNOQ-IXDOHACOSA-N	1	0	361.490	1.579	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3nc(C)oc3C)[C@H](C)C2)C1=O	ZINC001093080285	957349648	/nfs/dbraw/zinc/34/96/48/957349648.db2.gz	WLAQWFAFXNFBTI-WQVCFCJDSA-N	1	0	360.458	1.376	20	30		FDEDRO
COc1ncc(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)cn1	ZINC001093100912	957415434	/nfs/dbraw/zinc/41/54/34/957415434.db2.gz	LRHJSAJTTPUAGD-RDTXWAMCSA-N	1	0	365.437	1.855	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@H]1C	ZINC001093138004	957631658	/nfs/dbraw/zinc/63/16/58/957631658.db2.gz	NXBWPEXBGAKQIV-GDBMZVCRSA-N	1	0	368.437	1.888	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)c1cccn(C)c1=O	ZINC001093139519	957633805	/nfs/dbraw/zinc/63/38/05/957633805.db2.gz	HWALOGRWIKKUBM-IEBWSBKVSA-N	1	0	363.461	1.735	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)c3ccc(OC)cc3)[C@H](C)C2)C1=O	ZINC001093153566	957656998	/nfs/dbraw/zinc/65/69/98/957656998.db2.gz	NCMDMAVOCBNIJD-SUMDDJOVSA-N	1	0	371.481	1.780	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)c3cccc(OC)c3)[C@H](C)C2)C1=O	ZINC001093154601	957657195	/nfs/dbraw/zinc/65/71/95/957657195.db2.gz	GADBFDOLRLVAEM-SZVBFZGTSA-N	1	0	371.481	1.780	20	30		FDEDRO
CC(=O)N1CC[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2C)C1	ZINC001093163695	957712627	/nfs/dbraw/zinc/71/26/27/957712627.db2.gz	KXPZWGAZOQTLDU-CDHQVMDDSA-N	1	0	368.481	1.611	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)Cc3ccon3)C[C@H]2C)C1=O	ZINC001093271790	957939295	/nfs/dbraw/zinc/93/92/95/957939295.db2.gz	LCWVNWZOYLBFNW-BFYDXBDKSA-N	1	0	360.458	1.078	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093452386	958055532	/nfs/dbraw/zinc/05/55/32/958055532.db2.gz	HYWLLSFLNRZYHL-FTEYMNFISA-N	1	0	358.486	1.941	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)c2c[nH]c(C#N)c2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CC1CC1)C2	ZINC001093439957	958074538	/nfs/dbraw/zinc/07/45/38/958074538.db2.gz	QYXKRZADGSTPBC-SOAMZJECSA-N	1	0	356.470	1.876	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093441519	958077127	/nfs/dbraw/zinc/07/71/27/958077127.db2.gz	AQBOOBKIEIMGCA-KONPQCLYSA-N	1	0	364.877	1.809	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(=O)n(C)o3)[C@H]2C(C)C)C[C@H]1O	ZINC001093441553	958078289	/nfs/dbraw/zinc/07/82/89/958078289.db2.gz	BKHKXTKADXEHFZ-XNWVLMOPSA-N	1	0	363.458	1.134	20	30		FDEDRO
Cc1ncoc1C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C#CC3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093443046	958083612	/nfs/dbraw/zinc/08/36/12/958083612.db2.gz	NRCAMSOGILUKNF-JYWFKMLOSA-N	1	0	371.481	1.863	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3nnc(C)o3)[C@H]2C(C)C)C[C@H]1O	ZINC001093443921	958087442	/nfs/dbraw/zinc/08/74/42/958087442.db2.gz	WMHPVLYXMOXGNY-LTDCPUDJSA-N	1	0	362.474	1.463	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)C23CCC[NH+]2CCC3)C[C@@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001093452435	958090316	/nfs/dbraw/zinc/09/03/16/958090316.db2.gz	IVKFNCLZVUFWFU-VXIBKDFQSA-N	1	0	360.502	1.104	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)nnc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001093452447	958092642	/nfs/dbraw/zinc/09/26/42/958092642.db2.gz	IXYUQGXDFFIXKW-BNDYYXHWSA-N	1	0	370.497	1.560	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn4c(n3)CCCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093446625	958094863	/nfs/dbraw/zinc/09/48/63/958094863.db2.gz	JCOFSSMESBSKJH-WELBPKCISA-N	1	0	370.497	1.432	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C)nn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093446783	958096496	/nfs/dbraw/zinc/09/64/96/958096496.db2.gz	LZUFSIWNRRVBLB-JJAZEVLHSA-N	1	0	367.881	1.147	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3ccnn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093448415	958107283	/nfs/dbraw/zinc/10/72/83/958107283.db2.gz	JELBUHMSEIEJJB-JYBIWHBTSA-N	1	0	360.502	1.505	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COc3cc(C)on3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093449400	958116552	/nfs/dbraw/zinc/11/65/52/958116552.db2.gz	GOXAJHKNQUQMNN-OHDICMOHSA-N	1	0	363.458	1.514	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C4CC4)cnn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093449785	958117536	/nfs/dbraw/zinc/11/75/36/958117536.db2.gz	QKYKCNCKMWFYBK-REHHDOPLSA-N	1	0	370.497	1.510	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnc4[nH]cnc43)[C@H]2C(C)C)C[C@H]1O	ZINC001093449851	958118988	/nfs/dbraw/zinc/11/89/88/958118988.db2.gz	QVEZNSZQKYIUPZ-UOSKARGWSA-N	1	0	367.453	1.171	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn[nH]c(=O)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093451860	958136829	/nfs/dbraw/zinc/13/68/29/958136829.db2.gz	ZLIXZVUGCTUAEL-LFEHRJTNSA-N	1	0	360.458	1.338	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)c2ccc3c[nH+]cn3c2)C[C@@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001093459478	958182267	/nfs/dbraw/zinc/18/22/67/958182267.db2.gz	USBYVPMEZZCMQA-SOAMZJECSA-N	1	0	367.453	1.438	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccncc3Cl)[C@@H]2C(C)C)C[C@H]1O	ZINC001093464501	958199601	/nfs/dbraw/zinc/19/96/01/958199601.db2.gz	BXYQHNOXDOWNBX-MTNOOBJLSA-N	1	0	361.873	1.948	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3cn[nH]n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093464603	958200131	/nfs/dbraw/zinc/20/01/31/958200131.db2.gz	CPVRZPSCWUPZIR-PSBWJHGTSA-N	1	0	361.490	1.280	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C)[nH]c3=O)[C@H]2C(C)C)C[C@H]1O	ZINC001093464583	958200430	/nfs/dbraw/zinc/20/04/30/958200430.db2.gz	CNOBNLXRLLDODH-WWNBULGVSA-N	1	0	357.454	1.309	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CCF)C3)[C@H]2C(C)C)nn1	ZINC001093466157	958207563	/nfs/dbraw/zinc/20/75/63/958207563.db2.gz	LYHKSCLURJTJOD-IIVZCXTMSA-N	1	0	365.453	1.013	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nc(CC)oc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093470152	958226659	/nfs/dbraw/zinc/22/66/59/958226659.db2.gz	QDQCBWNIMAPQSM-OHRYMORCSA-N	1	0	359.470	1.758	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C)nc3Cl)[C@@H]2C(C)C)C[C@H]1O	ZINC001093473693	958245423	/nfs/dbraw/zinc/24/54/23/958245423.db2.gz	RMOFDBJNSQGTOU-ADAWSYLGSA-N	1	0	364.877	1.286	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)nn(C)c3F)[C@@H]2C(C)C)C[C@H]1O	ZINC001093474026	958245870	/nfs/dbraw/zinc/24/58/70/958245870.db2.gz	QLPIGZLCKOAFDT-UMHPPVOVSA-N	1	0	362.449	1.081	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)nn(C)c3F)[C@H]2C(C)C)C[C@H]1O	ZINC001093474018	958246293	/nfs/dbraw/zinc/24/62/93/958246293.db2.gz	QLPIGZLCKOAFDT-GTACMHHNSA-N	1	0	362.449	1.081	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COc3ccsc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093475614	958253220	/nfs/dbraw/zinc/25/32/20/958253220.db2.gz	YXILKHOYZNSADL-RWQQGDIJSA-N	1	0	362.495	1.726	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C(N)=O)cc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093476605	958255385	/nfs/dbraw/zinc/25/53/85/958255385.db2.gz	CWTNXQJLYNZIML-WIRSXHRWSA-N	1	0	371.481	1.551	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COC3CCCCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452548	958257928	/nfs/dbraw/zinc/25/79/28/958257928.db2.gz	KPNZXRFLPAOUJS-UKAVVXHISA-N	1	0	362.514	1.935	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc(Cl)n3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452706	958259186	/nfs/dbraw/zinc/25/91/86/958259186.db2.gz	MWTJEERBBIFJAK-DRRHNWJESA-N	1	0	364.877	1.286	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@H]2C(C)C)C[C@H]1O	ZINC001093456008	958275353	/nfs/dbraw/zinc/27/53/53/958275353.db2.gz	TUJSTKOFHCYPEI-WZSRKYPNSA-N	1	0	368.905	1.597	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(CC)[nH]c(=O)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093456624	958278831	/nfs/dbraw/zinc/27/88/31/958278831.db2.gz	GIMBEIKXCIMERR-VGUOSERISA-N	1	0	371.481	1.563	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3snnc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001093458876	958285689	/nfs/dbraw/zinc/28/56/89/958285689.db2.gz	PUCDZLPGAWRVGK-DEICHXMPSA-N	1	0	364.515	1.866	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc4n[nH]nc4c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093477790	958290407	/nfs/dbraw/zinc/29/04/07/958290407.db2.gz	MSZPUQIPDZUYSL-SOAMZJECSA-N	1	0	367.453	1.171	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccc(F)cc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093477758	958290577	/nfs/dbraw/zinc/29/05/77/958290577.db2.gz	MCNSDKKSGRMGRL-UKAVVXHISA-N	1	0	358.457	1.968	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093478082	958291585	/nfs/dbraw/zinc/29/15/85/958291585.db2.gz	BPCCZNBACXGNOO-LSCOUULSSA-N	1	0	356.510	1.878	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccccc3N(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093478291	958293645	/nfs/dbraw/zinc/29/36/45/958293645.db2.gz	DJHUCCIHUGNKQI-RQGSJKACSA-N	1	0	369.509	1.966	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nonc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093479159	958297103	/nfs/dbraw/zinc/29/71/03/958297103.db2.gz	IGLCNDGGPJNGHQ-LNCBFAARSA-N	1	0	368.865	1.710	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3ccccc3=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001093479048	958297895	/nfs/dbraw/zinc/29/78/95/958297895.db2.gz	SZHANIFNRQDRTK-SMOSDQRPSA-N	1	0	359.470	1.000	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncnc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093480840	958304642	/nfs/dbraw/zinc/30/46/42/958304642.db2.gz	PEGLPXBVAIAAFP-MLYOOKFZSA-N	1	0	356.470	1.252	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)/C=C/c3ccco3)C[C@H]2C)C1=O	ZINC001093616615	958377409	/nfs/dbraw/zinc/37/74/09/958377409.db2.gz	ZKRMFTOQOBPVRW-FYFHTKEFSA-N	1	0	357.454	1.764	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCCO3)C[C@H]2C)cc1C#N	ZINC001093626818	958381415	/nfs/dbraw/zinc/38/14/15/958381415.db2.gz	UWBISQKELACNDE-BJZITVGISA-N	1	0	357.454	1.930	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001093635114	958398831	/nfs/dbraw/zinc/39/88/31/958398831.db2.gz	OPCQLVZAPRKJRO-RHSMWYFYSA-N	1	0	355.417	1.778	20	30		FDEDRO
C#C[C@H]([NH2+][C@H](C)C(=O)NCCc1ccc2c(c1)OCCO2)[C@H]1CCCO1	ZINC000775783958	972353752	/nfs/dbraw/zinc/35/37/52/972353752.db2.gz	FXYNWRDWVCVMSW-HYVNUMGLSA-N	1	0	358.438	1.275	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2Cc2ccccc2)[C@H](C)C1	ZINC001093672899	958514218	/nfs/dbraw/zinc/51/42/18/958514218.db2.gz	HCNOURKWAQGBQB-BFYDXBDKSA-N	1	0	367.457	1.065	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2nc3ccccc3c(=O)[nH]2)[C@H](C)C1	ZINC001093677660	958529996	/nfs/dbraw/zinc/52/99/96/958529996.db2.gz	BIGLZHHPSSXNIQ-BFHYXJOUSA-N	1	0	353.426	1.679	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2cc(=O)n3ccsc3n2)[C@H](C)C1	ZINC001093678385	958531679	/nfs/dbraw/zinc/53/16/79/958531679.db2.gz	KDYFLEVILSJLRQ-JHJVBQTASA-N	1	0	359.455	1.100	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1nn(C)cc1Cl	ZINC001093725999	958610497	/nfs/dbraw/zinc/61/04/97/958610497.db2.gz	NCMXTUHYANUVEI-DGCLKSJQSA-N	1	0	360.849	1.771	20	30		FDEDRO
COc1cccc(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)n1	ZINC001093725929	958610688	/nfs/dbraw/zinc/61/06/88/958610688.db2.gz	JJKJVTKGPRTOMY-UKRRQHHQSA-N	1	0	353.426	1.788	20	30		FDEDRO
COc1cc(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)sn1	ZINC001093726424	958612608	/nfs/dbraw/zinc/61/26/08/958612608.db2.gz	WXWSVTOYRBYNBN-DGCLKSJQSA-N	1	0	359.455	1.849	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3c(C)ccn3C)C[C@H]2C)C1=O	ZINC001093736180	958642024	/nfs/dbraw/zinc/64/20/24/958642024.db2.gz	JNEDQVFHMRZHHG-BRWVUGGUSA-N	1	0	358.486	1.418	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1nnc(C2CCC2)n1C	ZINC001093762914	958703666	/nfs/dbraw/zinc/70/36/66/958703666.db2.gz	KKFRMRWPWMWLOH-RHSMWYFYSA-N	1	0	355.486	1.680	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093764852	958707720	/nfs/dbraw/zinc/70/77/20/958707720.db2.gz	HLOYHTPCQNWMBR-CRAIPNDOSA-N	1	0	351.454	1.719	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1	ZINC000773218453	958785867	/nfs/dbraw/zinc/78/58/67/958785867.db2.gz	HOXROVMYPFHRJW-UHFFFAOYSA-N	1	0	364.405	1.381	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3cc4occc4[nH]3)C[C@H]2C)C1=O	ZINC001093802639	958832484	/nfs/dbraw/zinc/83/24/84/958832484.db2.gz	AWNXLYGJTLAFMQ-IIAWOOMASA-N	1	0	370.453	1.846	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]Cc2cnnn2CC)[C@H](C)C1	ZINC001093824946	958904469	/nfs/dbraw/zinc/90/44/69/958904469.db2.gz	VYZCZIHUWZBJMQ-HZPDHXFCSA-N	1	0	356.474	1.783	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cc(OC)ccn2)[C@H](C)C1	ZINC001093833042	958927251	/nfs/dbraw/zinc/92/72/51/958927251.db2.gz	OPDAJOXNVGHGPV-HLIPFELVSA-N	1	0	370.497	1.372	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093842913	958958883	/nfs/dbraw/zinc/95/88/83/958958883.db2.gz	OHDOKPDARWIXAH-CXAGYDPISA-N	1	0	351.410	1.552	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCN(C)C2=O)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093844208	958964568	/nfs/dbraw/zinc/96/45/68/958964568.db2.gz	SWWXZNJSYRPZSS-AYOQOUSVSA-N	1	0	368.481	1.611	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001093849366	958973638	/nfs/dbraw/zinc/97/36/38/958973638.db2.gz	HBJITCNWVXHLLK-IUODEOHRSA-N	1	0	369.400	1.691	20	30		FDEDRO
CCn1nnc(C)c1C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1	ZINC001093816576	959006439	/nfs/dbraw/zinc/00/64/39/959006439.db2.gz	NQZYQXYZTOVUCN-RDTXWAMCSA-N	1	0	366.469	1.976	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C[NH2+]Cc2cn(C)nn2)[C@H](C)C1	ZINC001093870384	959054843	/nfs/dbraw/zinc/05/48/43/959054843.db2.gz	QWPBKZVRJVVPHG-HZPDHXFCSA-N	1	0	369.469	1.878	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3c[nH]nc3CC)C[C@H]2C)C1=O	ZINC001093884045	959116492	/nfs/dbraw/zinc/11/64/92/959116492.db2.gz	MOZFKTUKKMIQJB-CPUCHLNUSA-N	1	0	359.474	1.057	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cncn2C)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001093894219	959249445	/nfs/dbraw/zinc/24/94/45/959249445.db2.gz	KFWFCILRTMQKFG-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
COc1nn(C)cc1C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1	ZINC001093963137	959371129	/nfs/dbraw/zinc/37/11/29/959371129.db2.gz	XODMRHDERXQADZ-RHSMWYFYSA-N	1	0	367.453	1.798	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3ncc(C)cc3C)C[C@H]2C)C1=O	ZINC001093933392	959387550	/nfs/dbraw/zinc/38/75/50/959387550.db2.gz	GMPQYXLQFUFDIC-KZNAEPCWSA-N	1	0	370.497	1.783	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001094037806	959579392	/nfs/dbraw/zinc/57/93/92/959579392.db2.gz	ZGGCVAMTBSXOEI-WIBUTAKZSA-N	1	0	354.454	1.269	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001094074835	959703234	/nfs/dbraw/zinc/70/32/34/959703234.db2.gz	OEPIJIPUYGUPAQ-CZUORRHYSA-N	1	0	355.417	1.847	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3c(C)noc3C)[C@H](C)C2)nn1	ZINC001094095398	959772201	/nfs/dbraw/zinc/77/22/01/959772201.db2.gz	OYLRTCHZLXNGQJ-IUODEOHRSA-N	1	0	358.446	1.567	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccnn2C)[C@H](C)C1	ZINC001094099882	959782237	/nfs/dbraw/zinc/78/22/37/959782237.db2.gz	QUUBBPOVQRRIDW-FPAYPSAMSA-N	1	0	360.502	1.976	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3cc(C)ncn3)[C@H](C)C2)nn1	ZINC001094099859	959782329	/nfs/dbraw/zinc/78/23/29/959782329.db2.gz	QDEKBWCUZSORCR-GDBMZVCRSA-N	1	0	369.473	1.451	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ncccn2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001094125909	959833319	/nfs/dbraw/zinc/83/33/19/959833319.db2.gz	NXUGTVWQOQMMIK-CZUORRHYSA-N	1	0	353.401	1.985	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nccnc2C)[C@H](C)C1	ZINC001094103159	959884356	/nfs/dbraw/zinc/88/43/56/959884356.db2.gz	DOBQRQHTJAQMAJ-NWGLXNPWSA-N	1	0	358.486	1.950	20	30		FDEDRO
COc1ncc(C(=O)N2C[C@@H](C[NH2+]Cc3ccccc3C#N)[C@H](C)C2)cn1	ZINC001094146430	959903220	/nfs/dbraw/zinc/90/32/20/959903220.db2.gz	CWZPSEQEOYQESD-RDTXWAMCSA-N	1	0	365.437	1.855	20	30		FDEDRO
COc1ncc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)s3)[C@H](C)C2)cn1	ZINC001094146548	959904469	/nfs/dbraw/zinc/90/44/69/959904469.db2.gz	QHCPZTUFRXIWMD-TZMCWYRMSA-N	1	0	371.466	1.916	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)c3nncn3C)[C@H](C)C2)nc1	ZINC001094174247	959976310	/nfs/dbraw/zinc/97/63/10/959976310.db2.gz	AMPKKJNQBXNAJP-IJEWVQPXSA-N	1	0	352.442	1.250	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3c(C)nnn3CC)[C@H](C)C2)cn1	ZINC001094174470	959977602	/nfs/dbraw/zinc/97/76/02/959977602.db2.gz	JGJNPEMGFQTXBZ-RHSMWYFYSA-N	1	0	366.469	1.481	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ccn(CC)n3)[C@H](C)C2)nc1	ZINC001094174729	959978594	/nfs/dbraw/zinc/97/85/94/959978594.db2.gz	RBPVVFZXFICZJS-NVXWUHKLSA-N	1	0	351.454	1.777	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](C)c3nnc(CC)[nH]3)[C@H](C)C2)cn1	ZINC001094174537	959978766	/nfs/dbraw/zinc/97/87/66/959978766.db2.gz	MZUHDBTWHUZMKY-IIAWOOMASA-N	1	0	366.469	1.802	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]C[C@H]3CCc4ncnn43)[C@H](C)C2)nc1	ZINC001094174976	959979788	/nfs/dbraw/zinc/97/97/88/959979788.db2.gz	VTHDDBKRIHXPDA-DJIMGWMZSA-N	1	0	364.453	1.140	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cc(C)n(C)n3)[C@H](C)C2)cn1	ZINC001094174801	959979889	/nfs/dbraw/zinc/97/98/89/959979889.db2.gz	UIXGFNAKFKMGFD-RHSMWYFYSA-N	1	0	351.454	1.603	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3c[nH]cc3C3CC3)C[C@H]2C)C1=O	ZINC001094141891	959996763	/nfs/dbraw/zinc/99/67/63/959996763.db2.gz	VRERQGJTPHBDDI-OGWOLHLISA-N	1	0	370.497	1.977	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001094206787	960003635	/nfs/dbraw/zinc/00/36/35/960003635.db2.gz	ZTFMDLNZKNEYNS-CZUORRHYSA-N	1	0	356.405	1.173	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3cccn3CC)C[C@H]2C)C1=O	ZINC001094223273	960054698	/nfs/dbraw/zinc/05/46/98/960054698.db2.gz	WVXAGVXRXBGFRK-ZACQAIPSSA-N	1	0	358.486	1.593	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)Cc3ccc(C)nc3)C[C@H]2C)C1=O	ZINC001094223827	960055966	/nfs/dbraw/zinc/05/59/66/960055966.db2.gz	CJAYLTNBSFHEPX-ATZDWAIDSA-N	1	0	370.497	1.404	20	30		FDEDRO
C=C(C)CC[NH+]1CC(n2cc(CNC(=O)[C@]34CCC[C@H]3OCC4)nn2)C1	ZINC001094304986	960240217	/nfs/dbraw/zinc/24/02/17/960240217.db2.gz	MFXFWUAQLXQWDZ-MJGOQNOKSA-N	1	0	359.474	1.676	20	30		FDEDRO
Cn1nncc1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccc1C#N)CC2	ZINC001094406469	960457720	/nfs/dbraw/zinc/45/77/20/960457720.db2.gz	YHTGIGQEMCDNOO-UYAOXDASSA-N	1	0	364.453	1.861	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC2=CCN(C(=O)[C@@H]3C[C@H]3C3CC3)CC2)CC1	ZINC001017508484	1013195453	/nfs/dbraw/zinc/19/54/53/1013195453.db2.gz	HCYVKGDYNQBBCO-VQTJNVASSA-N	1	0	369.509	1.653	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4c(c3)nnn4C)CCC[C@@H]12	ZINC001094470418	960632129	/nfs/dbraw/zinc/63/21/29/960632129.db2.gz	BGSQOYWGIVEAAB-VQIMIIECSA-N	1	0	354.458	1.914	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4nc(C)nn4C3)CCC[C@@H]12	ZINC001094477931	960650855	/nfs/dbraw/zinc/65/08/55/960650855.db2.gz	FHPDRBLJQYATFA-MBOZVWFJSA-N	1	0	355.486	1.533	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCC1)CC2	ZINC001094516190	960708185	/nfs/dbraw/zinc/70/81/85/960708185.db2.gz	PNAHTQXOOLUIDP-AXVVYFOYSA-N	1	0	361.486	1.171	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C)c(C(N)=O)cn3)CCC[C@@H]12	ZINC001094519180	960713500	/nfs/dbraw/zinc/71/35/00/960713500.db2.gz	YCKAJXIGWCGLNQ-YLJYHZDGSA-N	1	0	354.454	1.487	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4c(c3)C(=O)NC4=O)CCC[C@@H]12	ZINC001094563654	960821360	/nfs/dbraw/zinc/82/13/60/960821360.db2.gz	KYZICYORKUIZGM-OXQOHEQNSA-N	1	0	353.422	1.731	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc4c(cn3)nc[nH]c4=O)CCC[C@@H]12	ZINC001094567580	960832987	/nfs/dbraw/zinc/83/29/87/960832987.db2.gz	FETRGEIPCLODEX-VQIMIIECSA-N	1	0	353.426	1.891	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc(Cn4cccn4)on3)CCC[C@@H]12	ZINC001094557036	960908903	/nfs/dbraw/zinc/90/89/03/960908903.db2.gz	BORIDCIAVVRSMW-UYAOXDASSA-N	1	0	367.453	1.917	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccnc(-n4cncn4)c3)CCC[C@@H]12	ZINC001094588496	960917997	/nfs/dbraw/zinc/91/79/97/960917997.db2.gz	RKYYWTUGSNCSEJ-YLJYHZDGSA-N	1	0	364.453	1.660	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2	ZINC001110161372	961107542	/nfs/dbraw/zinc/10/75/42/961107542.db2.gz	CINKZOUHDKFRHC-VUHPKUFZSA-N	1	0	362.518	1.131	20	30		FDEDRO
N#Cc1ccccc1CC(=O)N(C(N)=[NH2+])c1ccc(N2CCOCC2)cc1	ZINC001181804546	961128969	/nfs/dbraw/zinc/12/89/69/961128969.db2.gz	RIOWWVURUVEMTQ-UHFFFAOYSA-N	1	0	363.421	1.864	20	30		FDEDRO
COCCC[NH+]1CCC(N2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1	ZINC001172255898	961605346	/nfs/dbraw/zinc/60/53/46/961605346.db2.gz	NKEVRGJWFCZFIW-QGZVFWFLSA-N	1	0	366.506	1.932	20	30		FDEDRO
COCCN1CC2(CC[NH+]([C@@H](C)CCCC#N)CC2)[C@H](COC)C1=O	ZINC001172497990	961688259	/nfs/dbraw/zinc/68/82/59/961688259.db2.gz	HWLVDIRGPASHOX-DLBZAZTESA-N	1	0	351.491	1.902	20	30		FDEDRO
COCCN1CC2(CC[NH+]([C@@H](C)CCCC#N)CC2)[C@@H](COC)C1=O	ZINC001172497993	961688498	/nfs/dbraw/zinc/68/84/98/961688498.db2.gz	HWLVDIRGPASHOX-IRXDYDNUSA-N	1	0	351.491	1.902	20	30		FDEDRO
C=CCN1CCN(C)C2(CC[NH+]([C@@H](C)CCC(=O)OC(C)C)CC2)C1=O	ZINC001172757996	961777950	/nfs/dbraw/zinc/77/79/50/961777950.db2.gz	KIPHFBDKVSLRNT-KRWDZBQOSA-N	1	0	365.518	1.901	20	30		FDEDRO
C#CCN(C(=O)NC[C@H]1CCCC[N@H+]1CCCC)[C@H]1CCS(=O)(=O)C1	ZINC000774211636	961840318	/nfs/dbraw/zinc/84/03/18/961840318.db2.gz	MWJVCQWGRBPTDO-SJORKVTESA-N	1	0	369.531	1.473	20	30		FDEDRO
COC(=O)[C@@H](CCCC[NH3+])N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1	ZINC001172969020	961855457	/nfs/dbraw/zinc/85/54/57/961855457.db2.gz	RUGSIJOGWMVAMX-QLFBSQMISA-N	1	0	368.478	1.538	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CN(c3ccncn3)C2)C[C@H]1C#N	ZINC001172979012	961861860	/nfs/dbraw/zinc/86/18/60/961861860.db2.gz	VABIUCXONLCZOZ-HIFRSBDPSA-N	1	0	358.446	1.546	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC(NC(N)=O)CC2)C[C@H]1C#N	ZINC001172979143	961862137	/nfs/dbraw/zinc/86/21/37/961862137.db2.gz	BXVYURIFWMKLDS-KGLIPLIRSA-N	1	0	351.451	1.411	20	30		FDEDRO
CC(=O)N1CCC[N@@H+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1	ZINC001172979945	961862929	/nfs/dbraw/zinc/86/29/29/961862929.db2.gz	IXCHZXUXRKIUMZ-HOTGVXAUSA-N	1	0	350.463	1.832	20	30		FDEDRO
CSCC[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C(N)=O	ZINC001172981953	961866826	/nfs/dbraw/zinc/86/68/26/961866826.db2.gz	QRERLMNSUZIKME-AGIUHOORSA-N	1	0	356.492	1.475	20	30		FDEDRO
CC(C)C[C@H]([NH2+]C1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)NO	ZINC001173001476	961879156	/nfs/dbraw/zinc/87/91/56/961879156.db2.gz	LQQZZDHXTNQITI-INIZCTEOSA-N	1	0	351.422	1.940	20	30		FDEDRO
COCC[NH+]1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1	ZINC001172990833	961901405	/nfs/dbraw/zinc/90/14/05/961901405.db2.gz	YUDXVTPHGWUKRR-CVEARBPZSA-N	1	0	352.479	1.542	20	30		FDEDRO
C=CCN1CCN(C)C2(CC[NH+]([C@H]3CCc4ncsc4C3)CC2)C1=O	ZINC001173134652	961928738	/nfs/dbraw/zinc/92/87/38/961928738.db2.gz	JMBWZFAPTABSTH-HNNXBMFYSA-N	1	0	360.527	1.795	20	30		FDEDRO
C[NH+]1CCN(c2cccc(Nc3c(C#N)cnc4c(C#N)cnn43)c2)CC1	ZINC001212711445	961959964	/nfs/dbraw/zinc/95/99/64/961959964.db2.gz	ADCPKNJWWSDXAS-UHFFFAOYSA-N	1	0	358.409	1.968	20	30		FDEDRO
C=CCOC1CCC([N@@H+]2C[C@@H]3COC[C@H](C(=O)N4CCCO4)[C@@H]3C2)CC1	ZINC001173321389	962004612	/nfs/dbraw/zinc/00/46/12/962004612.db2.gz	KWVHUUFQSXBERD-VVUWUOFOSA-N	1	0	364.486	1.859	20	30		FDEDRO
CNC(=O)c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CSCC#N)C3)cc1	ZINC001110305247	962118447	/nfs/dbraw/zinc/11/84/47/962118447.db2.gz	LFQYRSNGIBXEEP-ZACQAIPSSA-N	1	0	372.494	1.524	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+]C[C@H](O)c3ccccn3)CC2)cc1	ZINC001173427372	962137772	/nfs/dbraw/zinc/13/77/72/962137772.db2.gz	SONOJPJVWBVAOJ-IBGZPJMESA-N	1	0	350.422	1.881	20	30		FDEDRO
CCC(=O)N1CC[C@H]([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1	ZINC001173427791	962139538	/nfs/dbraw/zinc/13/95/38/962139538.db2.gz	IBHOVJCTODFJFT-SFHVURJKSA-N	1	0	354.454	1.763	20	30		FDEDRO
CC(=O)N1CC[C@@H](C[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1	ZINC001173427876	962140039	/nfs/dbraw/zinc/14/00/39/962140039.db2.gz	SRMZFEDPQLPDRA-KRWDZBQOSA-N	1	0	354.454	1.621	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH+]3CCC4(C[C@@H](O)CO4)CC3)CC2)cc1	ZINC001173430639	962147891	/nfs/dbraw/zinc/14/78/91/962147891.db2.gz	WDNODNFIKHADHG-LJQANCHMSA-N	1	0	369.465	1.779	20	30		FDEDRO
C#CCOCCOCC[NH2+]C1CCN(CC(=O)OCc2ccccc2)CC1	ZINC001173464343	962190337	/nfs/dbraw/zinc/19/03/37/962190337.db2.gz	WXRAZBFJAGQZLU-UHFFFAOYSA-N	1	0	374.481	1.450	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1C#N	ZINC000774495430	962247811	/nfs/dbraw/zinc/24/78/11/962247811.db2.gz	RITIDQMHUHGRNN-UHFFFAOYSA-N	1	0	372.469	1.608	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@]1(C)C[NH2+]CC#Cc1ccccc1	ZINC001182623767	962334289	/nfs/dbraw/zinc/33/42/89/962334289.db2.gz	WAOHQGVFGBXUOE-LAVAIGHBSA-N	1	0	353.466	1.234	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCc2ccccc2)C1	ZINC001182669829	962379378	/nfs/dbraw/zinc/37/93/78/962379378.db2.gz	BVLIONMXEPTZEH-QRVBRYPASA-N	1	0	371.481	1.475	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(CC)CC)C1	ZINC001182676120	962385480	/nfs/dbraw/zinc/38/54/80/962385480.db2.gz	AYWYENAVGWEEBW-ZACQAIPSSA-N	1	0	351.491	1.463	20	30		FDEDRO
C#CCC[NH+]1CCN(c2ccc(S(=O)(=O)N[C@H](C)CCC)cn2)CC1	ZINC000774528486	962395589	/nfs/dbraw/zinc/39/55/89/962395589.db2.gz	FDZOBUMKPAXJBJ-MRXNPFEDSA-N	1	0	364.515	1.694	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)N(C)C(C)C)C1	ZINC001182684476	962433287	/nfs/dbraw/zinc/43/32/87/962433287.db2.gz	GBYSYVCSUOGPOS-PDOICOKGSA-N	1	0	365.518	1.519	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C[C@H](O)COC)C1	ZINC001182846613	962560015	/nfs/dbraw/zinc/56/00/15/962560015.db2.gz	KWWHFSLONOLFBT-AISVETHESA-N	1	0	368.518	1.439	20	30		FDEDRO
CC[N@H+](CCCC(=O)n1nc(N)c(C#N)c1N)[C@@H](C)Cc1ccc(O)cc1	ZINC001183047888	962761565	/nfs/dbraw/zinc/76/15/65/962761565.db2.gz	IELWTCZELGWMMI-ZDUSSCGKSA-N	1	0	370.457	1.998	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1C[C@H](NC(=O)OC(C)(C)C)C2(COC2)C1	ZINC001183075779	962778973	/nfs/dbraw/zinc/77/89/73/962778973.db2.gz	DVKOSOGZGLDEAS-HNNXBMFYSA-N	1	0	365.474	1.391	20	30		FDEDRO
CCOC(=O)CC1([NH3+])CCN(C(=O)C2(c3ccccc3C#N)CC2)CC1	ZINC001183296284	962958365	/nfs/dbraw/zinc/95/83/65/962958365.db2.gz	AZGJDMXGKVRMLW-UHFFFAOYSA-N	1	0	355.438	1.863	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)C1	ZINC001183391396	963005440	/nfs/dbraw/zinc/00/54/40/963005440.db2.gz	QZXZRSLGPBAWLD-MGPQQGTHSA-N	1	0	361.408	1.848	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@H]3CCN(c4cc[nH+]cc4)C3)C2)nc1	ZINC001183611691	963143841	/nfs/dbraw/zinc/14/38/41/963143841.db2.gz	OQIJUWLOYLUZAR-FUHWJXTLSA-N	1	0	363.421	1.854	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)N(C)C(C)C	ZINC001175364935	963169934	/nfs/dbraw/zinc/16/99/34/963169934.db2.gz	DYXORKKPIZRFGF-BBWFWOEESA-N	1	0	353.507	1.709	20	30		FDEDRO
CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CCOCC1	ZINC001176659046	963520836	/nfs/dbraw/zinc/52/08/36/963520836.db2.gz	XZYOXUISARBIIR-CVEARBPZSA-N	1	0	368.474	1.396	20	30		FDEDRO
CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CN(c2cccc(C#N)c2)C(=O)O1	ZINC001184379759	963565333	/nfs/dbraw/zinc/56/53/33/963565333.db2.gz	ZSLHHPHBQOJCAD-KRWDZBQOSA-N	1	0	356.426	1.684	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCC[C@@]23CCCOC3)CC1	ZINC001177007803	963642212	/nfs/dbraw/zinc/64/22/12/963642212.db2.gz	CWJFFRNFCUPCTG-QUCCMNQESA-N	1	0	362.518	1.714	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C	ZINC000774782202	963702125	/nfs/dbraw/zinc/70/21/25/963702125.db2.gz	VIQIQEACILTFSN-CYBMUJFWSA-N	1	0	354.248	1.430	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@H](C)c2ccc(OCC)c(OCC)c2)CC1	ZINC000774782672	963707109	/nfs/dbraw/zinc/70/71/09/963707109.db2.gz	UANUWSFRJRMSMM-QGZVFWFLSA-N	1	0	373.497	1.912	20	30		FDEDRO
C=C(C)CN1CC(O)(CN(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001177528980	963865941	/nfs/dbraw/zinc/86/59/41/963865941.db2.gz	CPQDHSXXPWHRSK-UYAOXDASSA-N	1	0	371.525	1.978	20	30		FDEDRO
C=CCCc1ccc(C(=O)N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c(=O)[nH]1	ZINC001185358760	963915711	/nfs/dbraw/zinc/91/57/11/963915711.db2.gz	LZGMYSMZKMUQPD-ZWKOTPCHSA-N	1	0	358.486	1.756	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C	ZINC000774927675	964111169	/nfs/dbraw/zinc/11/11/69/964111169.db2.gz	YSJYLXMXDPGXOR-AWEZNQCLSA-N	1	0	368.275	1.300	20	30		FDEDRO
C=CCNCc1cn([C@@H]2CCCN(C(=O)[C@]34CCC[C@H]3OCC4)C2)nn1	ZINC001185973995	964242615	/nfs/dbraw/zinc/24/26/15/964242615.db2.gz	FTQYDYMJUVDIFB-LMMKCTJWSA-N	1	0	359.474	1.676	20	30		FDEDRO
C#CCNCc1cn([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)C2)nn1	ZINC001185973638	964242720	/nfs/dbraw/zinc/24/27/20/964242720.db2.gz	AOBKVLRCIHCPQM-WZGPROSRSA-N	1	0	355.486	1.991	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCCCCCC[NH2+][C@H]1CCCN(C)C1=O	ZINC001178509821	964263815	/nfs/dbraw/zinc/26/38/15/964263815.db2.gz	XBKHVMVUOOPKRF-SQNIBIBYSA-N	1	0	365.518	1.855	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H](C)n2cncn2)C1	ZINC001186180783	964333204	/nfs/dbraw/zinc/33/32/04/964333204.db2.gz	QRTSVFZEWFNYIN-KVSKMBFKSA-N	1	0	369.444	1.833	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCCCS(N)(=O)=O)C2	ZINC001110222646	964333950	/nfs/dbraw/zinc/33/39/50/964333950.db2.gz	XZNKCIYUARQYAU-YVSFHVDLSA-N	1	0	371.547	1.912	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)C[C@@H]2CCC(=O)N2)C1	ZINC001186203001	964350482	/nfs/dbraw/zinc/35/04/82/964350482.db2.gz	CNDKHNWBJSKIDK-NZSAHSFTSA-N	1	0	371.456	1.649	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)CC2CC2)C1	ZINC001186214440	964379647	/nfs/dbraw/zinc/37/96/47/964379647.db2.gz	YTCQYFOWKUBSAZ-AOIWGVFYSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N(C)Cc1cnn(C)c1	ZINC001110379172	964419448	/nfs/dbraw/zinc/41/94/48/964419448.db2.gz	YTQMEQWQPLPOJH-ZACQAIPSSA-N	1	0	359.474	1.066	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC12CCOCC2	ZINC001186424688	964504087	/nfs/dbraw/zinc/50/40/87/964504087.db2.gz	LVCRJWXJADFHRO-ZSYWTGECSA-N	1	0	360.498	1.670	20	30		FDEDRO
C=C(Cl)C[NH2+]CCCCCCNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1	ZINC001179054752	964652611	/nfs/dbraw/zinc/65/26/11/964652611.db2.gz	WYHVGOJOFIPLEL-CABCVRRESA-N	1	0	359.898	1.818	20	30		FDEDRO
C=CCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	ZINC001179097493	964718364	/nfs/dbraw/zinc/71/83/64/964718364.db2.gz	JXZWITJKTMYKLN-MOPGFXCFSA-N	1	0	367.534	1.709	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)c3cc[nH]n3)[C@@H]2C1	ZINC001186930051	964840571	/nfs/dbraw/zinc/84/05/71/964840571.db2.gz	GGRGEJVCSIJUAH-HLLBOEOZSA-N	1	0	359.474	1.369	20	30		FDEDRO
N#CCSCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)c3ccccc3F)C[C@H]21	ZINC001186940731	964855510	/nfs/dbraw/zinc/85/55/10/964855510.db2.gz	UNDFMDOZXHMOFN-XKQJLSEDSA-N	1	0	363.458	1.649	20	30		FDEDRO
N#CCSCC(=O)N1CC[C@H]2C[N@@H+](CCOc3ccccc3F)C[C@H]21	ZINC001186940676	964856497	/nfs/dbraw/zinc/85/64/97/964856497.db2.gz	RZCBJHNGOKHXGP-GOEBONIOSA-N	1	0	363.458	1.994	20	30		FDEDRO
C[NH+](C)CCN1CCN(c2cc(C(F)(F)F)c(F)cc2C#N)CC1=O	ZINC001186914589	964872486	/nfs/dbraw/zinc/87/24/86/964872486.db2.gz	NESHVJLPPFBGSH-UHFFFAOYSA-N	1	0	358.339	1.926	20	30		FDEDRO
C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)[C@H]1C	ZINC001179525110	964889449	/nfs/dbraw/zinc/88/94/49/964889449.db2.gz	CALACIFLIHSVNW-FJIDUMEYSA-N	1	0	363.502	1.702	20	30		FDEDRO
CC[C@@H]1C[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#Cc2ccccc2)[C@@H]1C	ZINC001179565828	964901325	/nfs/dbraw/zinc/90/13/25/964901325.db2.gz	PXKQHTDJIKKYIN-NBYUQASBSA-N	1	0	367.493	1.779	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@H]1C	ZINC001179569039	964902140	/nfs/dbraw/zinc/90/21/40/964902140.db2.gz	AHDFZKZXDKBXGZ-PNKHAZJDSA-N	1	0	363.502	1.558	20	30		FDEDRO
C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1	ZINC001179573174	964905220	/nfs/dbraw/zinc/90/52/20/964905220.db2.gz	ODFBUVNXOPOCOW-SJORKVTESA-N	1	0	353.507	1.855	20	30		FDEDRO
C[C@H]1[C@@H]([NH2+]CC#Cc2ccccc2)CCN1C(=O)[C@H]1C[C@H]1C(=O)N(C)C	ZINC001179539179	964908653	/nfs/dbraw/zinc/90/86/53/964908653.db2.gz	QERMSZDRGMTKHC-NQYYFHDYSA-N	1	0	353.466	1.341	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+][C@@H](CCCC)C(N)=O	ZINC001179638706	964942247	/nfs/dbraw/zinc/94/22/47/964942247.db2.gz	VXFPAYXHVPLBAO-IKGGRYGDSA-N	1	0	353.507	1.888	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCCCCC[NH2+][C@H]1CCNC1=O	ZINC001179781010	964975646	/nfs/dbraw/zinc/97/56/46/964975646.db2.gz	DQHRFAWCEJHWAE-ULQDDVLXSA-N	1	0	351.491	1.512	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCCCCC[NH2+][C@@H]1CCNC1=O	ZINC001179781009	964975719	/nfs/dbraw/zinc/97/57/19/964975719.db2.gz	DQHRFAWCEJHWAE-BBWFWOEESA-N	1	0	351.491	1.512	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC(F)(F)F)[C@@H]2C1	ZINC001187093307	965010860	/nfs/dbraw/zinc/01/08/60/965010860.db2.gz	NTLIMEQUGVZHCU-UONOGXRCSA-N	1	0	359.392	1.672	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C	ZINC001187313955	965236600	/nfs/dbraw/zinc/23/66/00/965236600.db2.gz	KPEIJPCMQHDMCJ-HOTGVXAUSA-N	1	0	366.506	1.304	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)COc3ccccc3)C[C@H]21	ZINC001187320518	965242909	/nfs/dbraw/zinc/24/29/09/965242909.db2.gz	WNDHZMRHQOCFDM-JENIJYKNSA-N	1	0	360.454	1.162	20	30		FDEDRO
C=CCOC(=O)N1CCC(CNC(=O)CN2CC[NH+](C(C)C)CC2)CC1	ZINC001180352499	965245223	/nfs/dbraw/zinc/24/52/23/965245223.db2.gz	MQOOVWWKIIZMNV-UHFFFAOYSA-N	1	0	366.506	1.163	20	30		FDEDRO
NC(=O)C1CC[NH+](CC=C([O-])NC(=[NH2+])c2ccc3cc(O)ccc3c2)CC1	ZINC001180613403	965408713	/nfs/dbraw/zinc/40/87/13/965408713.db2.gz	RCBDSLXJBYDMPF-UHFFFAOYSA-N	1	0	368.437	1.365	20	30		FDEDRO
CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1	ZINC001187546403	965487956	/nfs/dbraw/zinc/48/79/56/965487956.db2.gz	JFJZRFIFENBKPG-JKIFEVAISA-N	1	0	357.458	1.290	20	30		FDEDRO
CC(C)C#CC(=O)N1CC[C@H]2C[N@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]21	ZINC001187841219	965781783	/nfs/dbraw/zinc/78/17/83/965781783.db2.gz	TWABDHMCQNZGPR-RRFJBIMHSA-N	1	0	362.392	1.118	20	30		FDEDRO
CC(C)S(=O)(=O)CCCN1C[C@@H]2CCN(C(=O)C#CC(C)(C)C)[C@@H]2C1	ZINC001187857074	965795152	/nfs/dbraw/zinc/79/51/52/965795152.db2.gz	HNYBJACKRSZDTF-DLBZAZTESA-N	1	0	368.543	1.782	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Oc3ccccc3F)[C@@H]2C1	ZINC001187984118	965940330	/nfs/dbraw/zinc/94/03/30/965940330.db2.gz	GUKSFQRMMLAIPJ-XYJFISCASA-N	1	0	360.429	1.776	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3nnn(C(C)(C)C)n3)[C@@H]2C1	ZINC001188004173	965957260	/nfs/dbraw/zinc/95/72/60/965957260.db2.gz	CZYVFATUBPPMOR-HRCADAONSA-N	1	0	360.506	1.858	20	30		FDEDRO
CCN(CCC#N)C(=O)CN1C[C@@H]2CCN(C(=O)C3C=CC=CC=C3)[C@@H]2C1	ZINC001188063318	965986418	/nfs/dbraw/zinc/98/64/18/965986418.db2.gz	IIRYVSGKUIDOLX-RBUKOAKNSA-N	1	0	368.481	1.580	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1CC[C@H]2CN(CC(=O)NCCC)C[C@H]21)OCC	ZINC001188094851	966003594	/nfs/dbraw/zinc/00/35/94/966003594.db2.gz	BNEBVGVKZRRWOY-BBWFWOEESA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(CC(C)C)C3)[C@@H]2C1	ZINC001188096051	966007766	/nfs/dbraw/zinc/00/77/66/966007766.db2.gz	XVDFCWLLCLXIQV-OKZBNKHCSA-N	1	0	363.502	1.226	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(-c4ccn(C)c4)n[nH]3)[C@@H]2C1	ZINC001188172826	966074709	/nfs/dbraw/zinc/07/47/09/966074709.db2.gz	CANWMBKCLONNSV-QFBILLFUSA-N	1	0	369.469	1.764	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc4[nH]c(=O)[nH]c43)[C@@H]2C1	ZINC001188226069	966136198	/nfs/dbraw/zinc/13/61/98/966136198.db2.gz	COXLXVLXFOAEGK-XJKSGUPXSA-N	1	0	356.426	1.617	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cnccc3C)[C@@H]2C1	ZINC001188231697	966142849	/nfs/dbraw/zinc/14/28/49/966142849.db2.gz	YAYOKNIBPDRXIL-XYJFISCASA-N	1	0	356.470	1.156	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)c3c(C)n[nH]c3C)[C@@H]2C1	ZINC001188382309	966251168	/nfs/dbraw/zinc/25/11/68/966251168.db2.gz	KMHUQQPMGQLWDX-FHLIZLRMSA-N	1	0	358.486	1.703	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(C)cc3)[C@@H]2C1	ZINC001188476312	966347431	/nfs/dbraw/zinc/34/74/31/966347431.db2.gz	KDNZSLHDAYYVTG-NZSAHSFTSA-N	1	0	353.466	1.208	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3cncc(C)c3)[C@@H]2C1	ZINC001188510470	966386374	/nfs/dbraw/zinc/38/63/74/966386374.db2.gz	VXJWEMWNJHLRCJ-NZSAHSFTSA-N	1	0	370.497	1.546	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc4c(c3)CCO4)[C@@H]2C1	ZINC001188714494	966529199	/nfs/dbraw/zinc/52/91/99/966529199.db2.gz	ANACCICUCUVVRM-RBUKOAKNSA-N	1	0	354.450	1.347	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](CCCN3C(=O)CNC3=O)C[C@H]21	ZINC001188885943	966637895	/nfs/dbraw/zinc/63/78/95/966637895.db2.gz	SNELAEJEUYEHAE-OWCLPIDISA-N	1	0	362.474	1.063	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]21	ZINC001188897243	966642361	/nfs/dbraw/zinc/64/23/61/966642361.db2.gz	UIYHUGZHDRSQCN-IXDOHACOSA-N	1	0	371.547	1.403	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N2CC[C@H]3CN(CC#Cc4ccccc4)C[C@H]32)CC1	ZINC001188962821	966674915	/nfs/dbraw/zinc/67/49/15/966674915.db2.gz	HEOSGOVLHLBDCQ-VQTJNVASSA-N	1	0	351.494	1.913	20	30		FDEDRO
COc1ccc(C#N)c(C(=O)N2Cc3nccn3C[C@H](C[NH+](C)C)C2)c1	ZINC001189076104	966750641	/nfs/dbraw/zinc/75/06/41/966750641.db2.gz	NNHAEWTWDJVGIV-AWEZNQCLSA-N	1	0	353.426	1.597	20	30		FDEDRO
COCC#CCN1C[C@@H]2CCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1	ZINC001189127505	966782535	/nfs/dbraw/zinc/78/25/35/966782535.db2.gz	WSDWDSKOIIHIAP-QKLQHJQFSA-N	1	0	365.493	1.381	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)c3c4n(c(=O)n3C)CCCC4)[C@@H]2C1	ZINC001189135922	966788484	/nfs/dbraw/zinc/78/84/84/966788484.db2.gz	SEYJQKKLIKZCOW-DOTOQJQBSA-N	1	0	358.486	1.636	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(CC)cc3)[C@@H]2C1	ZINC001189261322	966883222	/nfs/dbraw/zinc/88/32/22/966883222.db2.gz	QGQYZDQOOFGOEV-FFZOFVMBSA-N	1	0	367.493	1.462	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CCN(C(=O)C[NH+]2CCC(C)CC2)C1	ZINC000957640169	1013689269	/nfs/dbraw/zinc/68/92/69/1013689269.db2.gz	AMTFDHMEACZFCE-FUHIMQAGSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cnc4c(cnn4C)c3)[C@@H]2C1	ZINC001189531110	967054570	/nfs/dbraw/zinc/05/45/70/967054570.db2.gz	ZVQSHYPJPZGYNP-WMLDXEAASA-N	1	0	355.442	1.317	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1	ZINC000957640488	1013690546	/nfs/dbraw/zinc/69/05/46/1013690546.db2.gz	DYHARWLVTLOXMU-GQIGUUNPSA-N	1	0	363.502	1.417	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C(=O)NCC4CC4)[C@@H]3C2)cc1	ZINC001189568501	967075470	/nfs/dbraw/zinc/07/54/70/967075470.db2.gz	GPCFNBFWYMFDGA-ZWKOTPCHSA-N	1	0	352.438	1.117	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(=O)[nH]c3ncn(C)c31)C2	ZINC001110647518	967268765	/nfs/dbraw/zinc/26/87/65/967268765.db2.gz	AYBBZUMQDQDMMF-YUELXQCFSA-N	1	0	355.442	1.975	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(=O)[nH]1)C2	ZINC001110419293	967282649	/nfs/dbraw/zinc/28/26/49/967282649.db2.gz	IKDQSGBIGBCBFH-OIISXLGYSA-N	1	0	372.469	1.547	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C(=O)N(C)C)cc3)[C@@H]2C1	ZINC001189829090	967289008	/nfs/dbraw/zinc/28/90/08/967289008.db2.gz	JNTXDJQBDXUADE-RBUKOAKNSA-N	1	0	371.481	1.737	20	30		FDEDRO
C#C[C@@H](NC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1)[C@@H]1CCCO1	ZINC000775329796	967333126	/nfs/dbraw/zinc/33/31/26/967333126.db2.gz	NQZSVVJJIXMSFR-UXHICEINSA-N	1	0	355.482	1.804	20	30		FDEDRO
C#CCNC(=O)CC[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000852489890	967367958	/nfs/dbraw/zinc/36/79/58/967367958.db2.gz	IMMBDNJCNHSWDI-UHFFFAOYSA-N	1	0	362.437	1.210	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(CC)CC)C[C@H]21	ZINC001189942124	967444322	/nfs/dbraw/zinc/44/43/22/967444322.db2.gz	LMORXYCJVJSULG-VQTJNVASSA-N	1	0	367.493	1.612	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(C(=O)NC)n3)[C@@H]2C1	ZINC001189979346	967475063	/nfs/dbraw/zinc/47/50/63/967475063.db2.gz	QIWJUEBFGAALHA-RLFYNMQTSA-N	1	0	356.470	1.942	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)COc3ccc(Cl)cc3)[C@@H]2C1	ZINC001189998847	967489903	/nfs/dbraw/zinc/48/99/03/967489903.db2.gz	IGTCPSXDXYKNJV-MAUKXSAKSA-N	1	0	362.857	1.901	20	30		FDEDRO
C#C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2OC)CC1)C1CCOCC1	ZINC000852638701	967490649	/nfs/dbraw/zinc/49/06/49/967490649.db2.gz	FMWNUAQFCQXSTN-INIZCTEOSA-N	1	0	358.442	1.350	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CNC(=O)Cc3ccccc3)[C@@H]2C1	ZINC001190058109	967521535	/nfs/dbraw/zinc/52/15/35/967521535.db2.gz	AQSMPAGFXYFKIT-RBUKOAKNSA-N	1	0	355.482	1.844	20	30		FDEDRO
C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N	ZINC001190148566	967561988	/nfs/dbraw/zinc/56/19/88/967561988.db2.gz	YCJWALXHGLLBBU-SWLSCSKDSA-N	1	0	364.427	1.714	20	30		FDEDRO
C#CCC[N@@H+](CCOC)CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1	ZINC000852751074	967576913	/nfs/dbraw/zinc/57/69/13/967576913.db2.gz	OKWWZAMNYJMIER-UHFFFAOYSA-N	1	0	351.834	1.739	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3nc(C)c(Cl)c3C)[C@@H]2C1	ZINC001190193766	967608008	/nfs/dbraw/zinc/60/80/08/967608008.db2.gz	IIVZUNUFZWLJQY-JKSUJKDBSA-N	1	0	364.877	1.336	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCC(C(=O)NCc2ccccc2)CC1	ZINC000852804948	967620369	/nfs/dbraw/zinc/62/03/69/967620369.db2.gz	KQWCUXPGRQHBTL-UHFFFAOYSA-N	1	0	353.466	1.544	20	30		FDEDRO
COC(=O)c1cc(-c2csc(NC(=O)C#CC3CC[NH2+]CC3)n2)c[nH]1	ZINC000852806344	967621287	/nfs/dbraw/zinc/62/12/87/967621287.db2.gz	HDDGODASIHUWFL-UHFFFAOYSA-N	1	0	358.423	1.866	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)Nc1ccc(CC(=O)N2CCOCC2)cc1	ZINC000852811273	967624253	/nfs/dbraw/zinc/62/42/53/967624253.db2.gz	SQWLSLBSYAPJOT-UHFFFAOYSA-N	1	0	355.438	1.029	20	30		FDEDRO
CC[C@@H]([NH2+]C)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1	ZINC000852816731	967628743	/nfs/dbraw/zinc/62/87/43/967628743.db2.gz	DVMGYWWXUSYLMW-CVALACBASA-N	1	0	352.460	1.436	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NCc1cccc(NC(=O)N2CCCC2)c1	ZINC000852819904	967631605	/nfs/dbraw/zinc/63/16/05/967631605.db2.gz	IVTCPRCFAOFRMX-UHFFFAOYSA-N	1	0	354.454	1.934	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)Nc1cccc(C(=O)N2CCSCC2)c1	ZINC000852825253	967636600	/nfs/dbraw/zinc/63/66/00/967636600.db2.gz	IXRYUSKXMCQGCR-UHFFFAOYSA-N	1	0	357.479	1.817	20	30		FDEDRO
N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2	ZINC000852827188	967638769	/nfs/dbraw/zinc/63/87/69/967638769.db2.gz	CNFRAUWGVCVPRV-NHAYFPRASA-N	1	0	368.437	1.263	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCC(C(=O)Nc2ccc(O)cc2)CC1	ZINC000852828241	967639719	/nfs/dbraw/zinc/63/97/19/967639719.db2.gz	WAXSCEXJGLGPCR-UHFFFAOYSA-N	1	0	355.438	1.572	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2	ZINC000852845187	967652553	/nfs/dbraw/zinc/65/25/53/967652553.db2.gz	SEYFUOJUFXNJSG-OAHLLOKOSA-N	1	0	364.829	1.264	20	30		FDEDRO
COc1ccccc1-c1noc([C@@H](C)NC(=O)C#CC2CC[NH2+]CC2)n1	ZINC000852852150	967658342	/nfs/dbraw/zinc/65/83/42/967658342.db2.gz	OYFGDUNHTNPQJJ-CYBMUJFWSA-N	1	0	354.410	1.925	20	30		FDEDRO
NC(=O)C1CCN(c2cccc(NC(=O)C#CC3CC[NH2+]CC3)c2)CC1	ZINC000852870039	967677007	/nfs/dbraw/zinc/67/70/07/967677007.db2.gz	IXQNKRNGKLVKOG-UHFFFAOYSA-N	1	0	354.454	1.330	20	30		FDEDRO
Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C#CC1CC[NH2+]CC1	ZINC000852888447	967691173	/nfs/dbraw/zinc/69/11/73/967691173.db2.gz	WWOBRRUSWPMOMI-GOSISDBHSA-N	1	0	355.438	1.546	20	30		FDEDRO
COC(=O)[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)Cc1ccccc1OC	ZINC000852890563	967692809	/nfs/dbraw/zinc/69/28/09/967692809.db2.gz	ZCAFFLRJTQPPAM-QGZVFWFLSA-N	1	0	358.438	1.146	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3Cc4cc(C)c(C)cc4O3)[C@@H]2C1	ZINC001190263701	967702585	/nfs/dbraw/zinc/70/25/85/967702585.db2.gz	ZBKCGTKCINJNHC-DSKINZAPSA-N	1	0	368.477	1.789	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](CCCC)C(N)=O	ZINC001110425267	967721890	/nfs/dbraw/zinc/72/18/90/967721890.db2.gz	LVFUMJSJRAHUNH-NCOADZHNSA-N	1	0	351.491	1.735	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1CCCC1=O	ZINC001110425392	967725815	/nfs/dbraw/zinc/72/58/15/967725815.db2.gz	PRYMQWAYZYHUCC-KURKYZTESA-N	1	0	363.502	1.703	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCc2ncnn21	ZINC001110425006	967743726	/nfs/dbraw/zinc/74/37/26/967743726.db2.gz	CMTYVAMNYAEYNG-VQHPVUNQSA-N	1	0	359.474	1.470	20	30		FDEDRO
CN(C[C@H]1CCC[N@H+](CCCOc2ccc(C#N)cc2)C1)S(C)(=O)=O	ZINC000796123393	1013749511	/nfs/dbraw/zinc/74/95/11/1013749511.db2.gz	WGBJQTOLBNJRTF-QGZVFWFLSA-N	1	0	365.499	1.931	20	30		FDEDRO
C#C[C@@H]([NH2+]C[C@H](O)COc1cccc(C(=O)OCC)c1)C1CCOCC1	ZINC000853115195	967840854	/nfs/dbraw/zinc/84/08/54/967840854.db2.gz	GCQYSHSYERPDQI-PKOBYXMFSA-N	1	0	361.438	1.621	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C(N)=O)c3)C[C@H]21	ZINC001190449717	967875492	/nfs/dbraw/zinc/87/54/92/967875492.db2.gz	COXOMTDETGTZHK-JCGIZDLHSA-N	1	0	357.454	1.409	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(C(=O)NC)c3)C[C@H]21	ZINC001190458723	967884155	/nfs/dbraw/zinc/88/41/55/967884155.db2.gz	KMKQAACNQFDDHF-AYOQOUSVSA-N	1	0	371.481	1.670	20	30		FDEDRO
C[C@H](C(=O)O[C@H](C[NH+](C)C)c1cc(F)c(F)c(F)c1)n1cnc(C#N)n1	ZINC000853214914	967922617	/nfs/dbraw/zinc/92/26/17/967922617.db2.gz	PAKLQYVZUXXSRJ-NOZJJQNGSA-N	1	0	367.331	1.974	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@](C)(NC(=O)[C@H]3CC[C@@H](C)O3)C2)CC1	ZINC000957675408	1013757978	/nfs/dbraw/zinc/75/79/78/1013757978.db2.gz	KWZOWFCBCIRCHL-MDYRTPRTSA-N	1	0	361.486	1.006	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CC#Cc2ccc(F)cc2)C1	ZINC001190735016	968055830	/nfs/dbraw/zinc/05/58/30/968055830.db2.gz	VQGGYOGRWQYGCV-IPELMVKDSA-N	1	0	360.429	1.514	20	30		FDEDRO
C=CCC1(S(=O)(=O)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)CC1	ZINC001190784325	968089066	/nfs/dbraw/zinc/08/90/66/968089066.db2.gz	RZWKGHFIJHKPMH-UHFFFAOYSA-N	1	0	364.515	1.776	20	30		FDEDRO
Cc1nnc(-c2cccc(C#N)c2)n1CN1CC[NH+]([C@H]2CCOC2)CC1	ZINC000853554398	968112675	/nfs/dbraw/zinc/11/26/75/968112675.db2.gz	XGCKRWXXTZJPNH-SFHVURJKSA-N	1	0	352.442	1.489	20	30		FDEDRO
C[C@@]12COC[C@H]1C[N@H+](CN1CC(=O)N(Cc3ccc(C#N)cc3)C1=O)C2	ZINC000853566845	968129460	/nfs/dbraw/zinc/12/94/60/968129460.db2.gz	RVJZWSMTIIPSGN-VQIMIIECSA-N	1	0	354.410	1.248	20	30		FDEDRO
N#Cc1ccccc1CN1C(=O)CN(C[N@@H+]2CC[C@H]3COC[C@H]3C2)C1=O	ZINC000853588072	968151403	/nfs/dbraw/zinc/15/14/03/968151403.db2.gz	PLGBDSRFEJXJJF-DLBZAZTESA-N	1	0	354.410	1.248	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(Cn2cc3c(c(C#N)c2=O)CCCC3)CCO1	ZINC000853623935	968204661	/nfs/dbraw/zinc/20/46/61/968204661.db2.gz	FOXBSPOVWPCCCY-QGZVFWFLSA-N	1	0	358.486	1.599	20	30		FDEDRO
C[N@@H+]1CCCN(CCNS(=O)(=O)c2cc(C#N)ccc2Cl)CC1	ZINC001190992844	968219991	/nfs/dbraw/zinc/21/99/91/968219991.db2.gz	DPYRFKQVZKOPQA-UHFFFAOYSA-N	1	0	356.879	1.127	20	30		FDEDRO
C#Cc1ccccc1C(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1	ZINC001191108563	968278959	/nfs/dbraw/zinc/27/89/59/968278959.db2.gz	RGWJFQVOCGSGDT-UHFFFAOYSA-N	1	0	366.421	1.146	20	30		FDEDRO
C#CCNc1nc(N[C@H]2COC(C)(C)C2)nc(N[C@H]2COC(C)(C)C2)n1	ZINC000853752478	968292643	/nfs/dbraw/zinc/29/26/43/968292643.db2.gz	SRJLSGHTDJFKHP-CHWSQXEVSA-N	1	0	360.462	1.876	20	30		FDEDRO
N#CCSCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCc3ccccc3C2)C[C@H]1O	ZINC001191161725	968306869	/nfs/dbraw/zinc/30/68/69/968306869.db2.gz	IIIKMEZIQQYLKZ-BMGDILEWSA-N	1	0	359.495	1.210	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)nc1C(F)F)C2	ZINC001110673915	968401158	/nfs/dbraw/zinc/40/11/58/968401158.db2.gz	YVACWIAZAWZZFH-BNOWGMLFSA-N	1	0	354.401	1.895	20	30		FDEDRO
N#CCOc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c1	ZINC000853996443	968512406	/nfs/dbraw/zinc/51/24/06/968512406.db2.gz	UTJONMWQSNYYMU-MRXNPFEDSA-N	1	0	370.453	1.766	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3[nH]c(=O)[nH]c31)C2	ZINC001110676478	968556587	/nfs/dbraw/zinc/55/65/87/968556587.db2.gz	BAXFTAZKZCYQHI-WQVCFCJDSA-N	1	0	356.426	1.806	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nccc3cccnc31)C2	ZINC001110676511	968557362	/nfs/dbraw/zinc/55/73/62/968557362.db2.gz	CQWCMMVOYDURIA-OAGGEKHMSA-N	1	0	365.437	1.267	20	30		FDEDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)c1ccnc(C#N)c1)C2	ZINC001191548668	968605722	/nfs/dbraw/zinc/60/57/22/968605722.db2.gz	LKTHETQTUQILBT-YLJYHZDGSA-N	1	0	354.454	1.774	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CCCCC3CCOCC3)C[C@H]2O)c1	ZINC001192038526	968920004	/nfs/dbraw/zinc/92/00/04/968920004.db2.gz	WKVRWDOADVAQFA-QZTJIDSGSA-N	1	0	360.458	1.258	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccc(F)cc2)C[C@H]1O	ZINC001192320859	969062134	/nfs/dbraw/zinc/06/21/34/969062134.db2.gz	NEXTWVYWZXGFFU-IPMKNSEASA-N	1	0	362.445	1.084	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(CC(C)C)cc2)C[C@H]1O	ZINC001192541091	969181236	/nfs/dbraw/zinc/18/12/36/969181236.db2.gz	VFGHIQHVLHTIJY-SFHLNBCPSA-N	1	0	360.498	1.874	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CCCc2nc(C)no2)C1	ZINC001192794322	969300910	/nfs/dbraw/zinc/30/09/10/969300910.db2.gz	GLAGJXOHHRCSCW-BQFCYCMXSA-N	1	0	362.474	1.825	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@H+](CCOCCCC)C[C@H]1O	ZINC001192915463	969363151	/nfs/dbraw/zinc/36/31/51/969363151.db2.gz	CBAGITASIHYEQI-QZTJIDSGSA-N	1	0	356.507	1.727	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1O	ZINC001192924512	969382701	/nfs/dbraw/zinc/38/27/01/969382701.db2.gz	JHNLSLMMOPLUNB-HZPDHXFCSA-N	1	0	360.445	1.956	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COc2c(C)nn(C)c2C)C1	ZINC001193032390	969442239	/nfs/dbraw/zinc/44/22/39/969442239.db2.gz	VTHGNSXZYXGECZ-IAGOWNOFSA-N	1	0	366.506	1.547	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)C2CCCC2)C1	ZINC001193165428	969523084	/nfs/dbraw/zinc/52/30/84/969523084.db2.gz	FIDWLRMNVKLAIJ-KBAYOESNSA-N	1	0	367.534	1.813	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCc2scnc2C)C[C@H]1O	ZINC001193312439	969630485	/nfs/dbraw/zinc/63/04/85/969630485.db2.gz	BAYBECWYQZAQKG-CHWSQXEVSA-N	1	0	357.907	1.934	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Br)n[nH]2)C1	ZINC001193407526	969658884	/nfs/dbraw/zinc/65/88/84/969658884.db2.gz	HNCTZDSQFUCQGU-MVWJERBFSA-N	1	0	357.252	1.302	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nn3c(c2C)OCCC3)C1	ZINC001193550951	969756484	/nfs/dbraw/zinc/75/64/84/969756484.db2.gz	CSFKKXIEQIKEJP-HZPDHXFCSA-N	1	0	362.474	1.495	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3ncncc3C2)C1	ZINC001193670918	969803947	/nfs/dbraw/zinc/80/39/47/969803947.db2.gz	ZBTXROPZBKMOBS-ATZDWAIDSA-N	1	0	358.486	1.489	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3c2NC(=O)CO3)C1	ZINC001193821469	969880915	/nfs/dbraw/zinc/88/09/15/969880915.db2.gz	JMRPYNZOTVRURM-NWANDNLSSA-N	1	0	359.426	1.147	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2C[C@H]2c2ccc(OC)cc2)C1	ZINC001193875517	969890654	/nfs/dbraw/zinc/89/06/54/969890654.db2.gz	ZAKFMKQSVRUJSX-IJXRJRJASA-N	1	0	374.481	1.553	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc(C)c(Cl)c2)C1	ZINC001194032283	969962480	/nfs/dbraw/zinc/96/24/80/969962480.db2.gz	ODDLDQZAPGCVQJ-IAGOWNOFSA-N	1	0	352.862	1.555	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCc2ccnc(OC)c2)C1	ZINC001194119136	970000364	/nfs/dbraw/zinc/00/03/64/970000364.db2.gz	PAUGORODRHGORV-DJIMGWMZSA-N	1	0	363.458	1.123	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(C[C@@H](O)c2cccc(C#N)c2)CC1	ZINC001194144666	970021808	/nfs/dbraw/zinc/02/18/08/970021808.db2.gz	WFOSVBWONZVNLH-HXUWFJFHSA-N	1	0	361.486	1.651	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC2(CC(=O)OC(C)(C)C)CCOCC2)CC1	ZINC000854928815	970046417	/nfs/dbraw/zinc/04/64/17/970046417.db2.gz	OJUUUBBJPWQMTC-UHFFFAOYSA-N	1	0	364.486	1.729	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3ccccc3c2O)C1	ZINC001194365688	970129749	/nfs/dbraw/zinc/12/97/49/970129749.db2.gz	RVZYNIAHGJFEGO-FSPWUOQZSA-N	1	0	355.438	1.658	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1	ZINC001194631377	970277512	/nfs/dbraw/zinc/27/75/12/970277512.db2.gz	CWEXHVUKKLBTQQ-WJFTUGDTSA-N	1	0	350.503	1.957	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCc1cccc(F)c1	ZINC001110463224	970511345	/nfs/dbraw/zinc/51/13/45/970511345.db2.gz	XBOHIRAGFUJHBX-QRVBRYPASA-N	1	0	371.456	1.619	20	30		FDEDRO
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C#Cc1ccc(C(F)(F)F)cc1	ZINC000855698455	970623984	/nfs/dbraw/zinc/62/39/84/970623984.db2.gz	QHPUSLDKUIXCGU-UHFFFAOYSA-N	1	0	369.387	1.535	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3cc(F)ccc3n2)C1	ZINC001195068790	970658497	/nfs/dbraw/zinc/65/84/97/970658497.db2.gz	VQPIOFJNSDLZHI-IAOVAPTHSA-N	1	0	360.433	1.532	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCc2c1cccc2F	ZINC001110465519	970660020	/nfs/dbraw/zinc/66/00/20/970660020.db2.gz	HHCYRJOVRGFEIT-XEKGUZQTSA-N	1	0	369.440	1.674	20	30		FDEDRO
C=CCC1(O)CC[NH+](Cc2cc(=O)n3ncc(C(=O)OCC)c3[nH]2)CC1	ZINC001197921657	972550143	/nfs/dbraw/zinc/55/01/43/972550143.db2.gz	YIPQICRHVZTEHY-UHFFFAOYSA-N	1	0	360.414	1.515	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2OCCc3ccccc32)C1	ZINC001197935227	972561819	/nfs/dbraw/zinc/56/18/19/972561819.db2.gz	NOHNJCKFRTVFOS-GUDVDZBRSA-N	1	0	360.454	1.054	20	30		FDEDRO
C=CCn1cc(CNC(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)nn1	ZINC000645037124	1014048546	/nfs/dbraw/zinc/04/85/46/1014048546.db2.gz	BTEYQUDFYAUGSE-SFHVURJKSA-N	1	0	354.458	1.880	20	30		FDEDRO
COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CC(=O)NC2(C#N)CCCCC2)C1	ZINC000775812772	972725505	/nfs/dbraw/zinc/72/55/05/972725505.db2.gz	UHSQDOWYSVBACZ-HUUCEWRRSA-N	1	0	350.463	1.786	20	30		FDEDRO
CCn1c(=O)[nH]c2cc(C(=O)O[C@H](C)C#CC[NH+](CC)CC)ccc2c1=O	ZINC000119430957	972852300	/nfs/dbraw/zinc/85/23/00/972852300.db2.gz	AFTQVINWIDEJEP-CQSZACIVSA-N	1	0	371.437	1.600	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2sc(COC)nc2C)C1	ZINC001198186130	972903121	/nfs/dbraw/zinc/90/31/21/972903121.db2.gz	NODPPKIFRHNGAO-IACUBPJLSA-N	1	0	353.488	1.728	20	30		FDEDRO
C#CCC[NH+]1CCC(NS(=O)(=O)C[C@@H](OC)c2ccc(F)cc2)CC1	ZINC000863443740	972923554	/nfs/dbraw/zinc/92/35/54/972923554.db2.gz	UZYHBSNPSVRGMN-GOSISDBHSA-N	1	0	368.474	1.920	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CO[C@H](C)c2nccn2C)C1	ZINC001198233846	972924529	/nfs/dbraw/zinc/92/45/29/972924529.db2.gz	OYKYZUANEKKGMV-BRWVUGGUSA-N	1	0	366.506	1.629	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC001198251837	972933219	/nfs/dbraw/zinc/93/32/19/972933219.db2.gz	MGYUTJLOZBUHCK-OGHNNQOOSA-N	1	0	366.487	1.428	20	30		FDEDRO
C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+]C[C@@H](O)CC1(C#N)CCOCC1	ZINC000863564141	973019723	/nfs/dbraw/zinc/01/97/23/973019723.db2.gz	WECZEQWLXXVOMA-GJZGRUSLSA-N	1	0	355.479	1.903	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cccc(C)c2)C1	ZINC001198359032	973054320	/nfs/dbraw/zinc/05/43/20/973054320.db2.gz	CCBJEEWVERLBEF-CGTJXYLNSA-N	1	0	359.470	1.241	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(NC(N)=O)cc2)C1	ZINC001198401373	973064879	/nfs/dbraw/zinc/06/48/79/973064879.db2.gz	XGGURMYDEUFQBS-IAGOWNOFSA-N	1	0	362.474	1.923	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CCC(=O)N2CCCc3ccccc32)CC1	ZINC000794549872	973149702	/nfs/dbraw/zinc/14/97/02/973149702.db2.gz	UMTZJCWLAJSYFK-UHFFFAOYSA-N	1	0	353.466	1.817	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c(C)csc2=O)C1	ZINC001198564768	973256366	/nfs/dbraw/zinc/25/63/66/973256366.db2.gz	LGXCZZURYUMNNS-HUUCEWRRSA-N	1	0	353.488	1.126	20	30		FDEDRO
C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1	ZINC000119861877	973375947	/nfs/dbraw/zinc/37/59/47/973375947.db2.gz	VMTFGLXDNXSCFU-UONOGXRCSA-N	1	0	362.405	1.656	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]cc2-c2ccccc2)C1	ZINC001198662529	973387960	/nfs/dbraw/zinc/38/79/60/973387960.db2.gz	RESWZIORQFBUCK-RTBURBONSA-N	1	0	355.438	1.659	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(F)cc2OCC#N)C[N@@H+]1C1CC1	ZINC000119966732	973484560	/nfs/dbraw/zinc/48/45/60/973484560.db2.gz	GXIMSCGLPYQYTH-AAEUAGOBSA-N	1	0	360.389	1.408	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2OCC#N)C[N@@H+]1C1CC1	ZINC000119966877	973485233	/nfs/dbraw/zinc/48/52/33/973485233.db2.gz	GXIMSCGLPYQYTH-DGCLKSJQSA-N	1	0	360.389	1.408	20	30		FDEDRO
C#CCC[NH2+][C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)c1ccccc1OC	ZINC001198760157	973492823	/nfs/dbraw/zinc/49/28/23/973492823.db2.gz	RYTNPRQNJUWRCH-JFIYKMOQSA-N	1	0	352.438	1.992	20	30		FDEDRO
C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CN(C)C[C@@H](C)O1)c1ccccc1OC	ZINC001198777464	973510975	/nfs/dbraw/zinc/51/09/75/973510975.db2.gz	ZVCNEBZGMZABGP-HHXXYDBFSA-N	1	0	361.486	1.737	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)[C@@]3(C#N)CCCOC3)cn2)CC1	ZINC000864895305	973930227	/nfs/dbraw/zinc/93/02/27/973930227.db2.gz	JKPKKPPSKWLRJG-LJQANCHMSA-N	1	0	357.458	1.160	20	30		FDEDRO
CCO[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)[C@H]1CCOC1	ZINC000865040538	974034428	/nfs/dbraw/zinc/03/44/28/974034428.db2.gz	RULPUFSPNGUZMM-RBUKOAKNSA-N	1	0	359.470	1.890	20	30		FDEDRO
CN(CC#N)C(=O)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000865068338	974056546	/nfs/dbraw/zinc/05/65/46/974056546.db2.gz	PJYAEULDRGYEES-INIZCTEOSA-N	1	0	360.458	1.994	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)c2ccc(F)cc2)C1	ZINC001199245551	974064583	/nfs/dbraw/zinc/06/45/83/974064583.db2.gz	DSAXIBKDCMVTFS-RCCFBDPRSA-N	1	0	350.434	1.683	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2Cc3c2cccc3Cl)C1	ZINC001199261723	974095560	/nfs/dbraw/zinc/09/55/60/974095560.db2.gz	RRAZKASSNXCVIG-DJIMGWMZSA-N	1	0	350.846	1.344	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)C[C@@H]2COCCN2C(=O)OC(C)(C)C)CC1	ZINC000796227813	1014167651	/nfs/dbraw/zinc/16/76/51/1014167651.db2.gz	UMVULOPTFBHDGL-CQSZACIVSA-N	1	0	366.462	1.117	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccc3c(c2)CCC3)C[C@H]1O	ZINC001199307339	974146898	/nfs/dbraw/zinc/14/68/98/974146898.db2.gz	JBLQKTKUKVHIGN-CDHQVMDDSA-N	1	0	358.482	1.990	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)CC1	ZINC000865194338	974174845	/nfs/dbraw/zinc/17/48/45/974174845.db2.gz	VGLOTVDFUXCFTJ-IBGZPJMESA-N	1	0	367.490	1.779	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCCc2cccc(F)c2)C[C@H]1O	ZINC001199318001	974184548	/nfs/dbraw/zinc/18/45/48/974184548.db2.gz	IGHZTVLZJCLAJM-ZTFGCOKTSA-N	1	0	350.434	1.511	20	30		FDEDRO
C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1C[N@@H+](C)CCN1C	ZINC000865706438	974431308	/nfs/dbraw/zinc/43/13/08/974431308.db2.gz	WHQWTWFWJHDYAI-KBPBESRZSA-N	1	0	374.913	1.384	20	30		FDEDRO
C#C[C@H]([NH2+]C1CC(C(=O)OC(C)C)(C(=O)OC(C)C)C1)[C@@H]1CCCO1	ZINC000776003028	974433029	/nfs/dbraw/zinc/43/30/29/974433029.db2.gz	VDPTXZPXSJFPEV-HOTGVXAUSA-N	1	0	351.443	1.809	20	30		FDEDRO
Cc1cccc(N(C(=O)c2cnc(C#N)cn2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1	ZINC001199664303	974450222	/nfs/dbraw/zinc/45/02/22/974450222.db2.gz	DFXXSOZDVZPODN-PXNSSMCTSA-N	1	0	363.421	1.825	20	30		FDEDRO
Cc1ccccc1OC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2	ZINC001110543605	974554100	/nfs/dbraw/zinc/55/41/00/974554100.db2.gz	ZJVLDULABALMBK-WTGUMLROSA-N	1	0	368.477	1.870	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cc1ccccc1	ZINC001110550593	974724215	/nfs/dbraw/zinc/72/42/15/974724215.db2.gz	WNBVXCOJSBAYOI-WTGUMLROSA-N	1	0	356.466	1.351	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCn1cncn1	ZINC001110551756	974752521	/nfs/dbraw/zinc/75/25/21/974752521.db2.gz	APFFQVYEPIDCEL-TVFCKZIOSA-N	1	0	359.474	1.208	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(NC(C)=O)c1	ZINC001110553520	974772394	/nfs/dbraw/zinc/77/23/94/974772394.db2.gz	UCXJRXVSRVQTTQ-AQNXPRMDSA-N	1	0	369.465	1.906	20	30		FDEDRO
C#C[C@H](NC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)[C@@H]1CCCO1	ZINC000776227313	975190339	/nfs/dbraw/zinc/19/03/39/975190339.db2.gz	JJJJGSQTGXTTDV-ROUUACIJSA-N	1	0	362.518	1.226	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C(F)(F)F)CCOCC1)C2	ZINC001110576408	975257787	/nfs/dbraw/zinc/25/77/87/975257787.db2.gz	HBTOZNUYXFCGFD-KFWWJZLASA-N	1	0	374.403	1.717	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2CC)CC1	ZINC001202197965	975262356	/nfs/dbraw/zinc/26/23/56/975262356.db2.gz	ZCKYNLLHHPIFQP-VQTJNVASSA-N	1	0	367.493	1.683	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCCN1C(=O)CC)C2	ZINC001110583749	975327528	/nfs/dbraw/zinc/32/75/28/975327528.db2.gz	LAGUBKUNGFLVFN-ZJPYXAASSA-N	1	0	363.502	1.702	20	30		FDEDRO
C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1cccc(C#N)c1[O-]	ZINC000866373990	975579759	/nfs/dbraw/zinc/57/97/59/975579759.db2.gz	YXUGNRFMXCDLGE-INIZCTEOSA-N	1	0	358.486	1.711	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Oc1ccccc1F)C2	ZINC001110590251	975785749	/nfs/dbraw/zinc/78/57/49/975785749.db2.gz	ZTIOHQBNDQOUKT-ABFRBSLYSA-N	1	0	373.428	1.064	20	30		FDEDRO
C[NH+](C)C[C@](C)(O)CNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000847608137	975904730	/nfs/dbraw/zinc/90/47/30/975904730.db2.gz	QXTMZNUBBAYZRY-LJQANCHMSA-N	1	0	367.490	1.066	20	30		FDEDRO
CN(C)c1ccccc1CN[NH+]=Cc1cnc(N2CCN(C)CC2)nc1	ZINC000794948995	976051918	/nfs/dbraw/zinc/05/19/18/976051918.db2.gz	IKTMPBHYNFCYKQ-UHFFFAOYSA-N	1	0	353.474	1.418	20	30		FDEDRO
C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC[C@H]1CC[N@H+](C)C1	ZINC000847823185	976070565	/nfs/dbraw/zinc/07/05/65/976070565.db2.gz	DFEUDVNTUIIZEM-UONOGXRCSA-N	1	0	365.455	1.110	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1Br	ZINC000866824678	976115054	/nfs/dbraw/zinc/11/50/54/976115054.db2.gz	NSEZMZIPXMWYCQ-KBPBESRZSA-N	1	0	370.272	1.836	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC000958166212	1014315740	/nfs/dbraw/zinc/31/57/40/1014315740.db2.gz	ALLPNIIOEZCTLY-RHSMWYFYSA-N	1	0	357.458	1.195	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1	ZINC000867607665	976494245	/nfs/dbraw/zinc/49/42/45/976494245.db2.gz	KLRSYTYBHFOUJV-OLMNPRSZSA-N	1	0	354.454	1.630	20	30		FDEDRO
CC(C)(C#N)c1ccc(C[NH2+]CCS(=O)(=O)N2CCOCC2)cc1	ZINC000848532548	976894083	/nfs/dbraw/zinc/89/40/83/976894083.db2.gz	BMBJBQQWMDXIBW-UHFFFAOYSA-N	1	0	351.472	1.239	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC(NC(=O)C2CC2)CC1	ZINC000867946280	977127021	/nfs/dbraw/zinc/12/70/21/977127021.db2.gz	PHCDGXAQOZYCQJ-SFHVURJKSA-N	1	0	352.438	1.262	20	30		FDEDRO
CC[C@@H]1CN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)[C@H](CC)CN1C(C)=O	ZINC000867950563	977131035	/nfs/dbraw/zinc/13/10/35/977131035.db2.gz	DQLVGXWLBSGGLN-GGPKGHCWSA-N	1	0	368.481	1.993	20	30		FDEDRO
CC(C)C(=O)NC1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000867961218	977144357	/nfs/dbraw/zinc/14/43/57/977144357.db2.gz	UHDDXVPRPNCLNN-SFHVURJKSA-N	1	0	354.454	1.508	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)C2CC[NH2+]CC2)ccc1F	ZINC000868012604	977199533	/nfs/dbraw/zinc/19/95/33/977199533.db2.gz	SCGTVXRZQBHZOM-LBPRGKRZSA-N	1	0	369.462	1.408	20	30		FDEDRO
C=C(C)CNC(=[NH2+])NCC(=O)Nc1ccc(I)cc1	ZINC000849002744	977287898	/nfs/dbraw/zinc/28/78/98/977287898.db2.gz	UHBVQCJAALSKBW-UHFFFAOYSA-N	1	0	372.210	1.920	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1	ZINC000868114135	977297656	/nfs/dbraw/zinc/29/76/56/977297656.db2.gz	BVJNWFOPYCNDBN-IMJJTQAJSA-N	1	0	355.398	1.266	20	30		FDEDRO
C[NH+]=C(NCc1ccco1)NCc1cccc(S(=O)(=O)N(C)C)c1	ZINC000849079011	977306047	/nfs/dbraw/zinc/30/60/47/977306047.db2.gz	LDCMHYVLVMSSMH-UHFFFAOYSA-N	1	0	350.444	1.395	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000849100801	977315011	/nfs/dbraw/zinc/31/50/11/977315011.db2.gz	DPGCRCXRXFPOIT-HNNXBMFYSA-N	1	0	371.526	1.033	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1	ZINC000849105855	977317840	/nfs/dbraw/zinc/31/78/40/977317840.db2.gz	FXXPMPZIPUAMGO-XJKSGUPXSA-N	1	0	354.857	1.832	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC2)cc1	ZINC000868168474	977331271	/nfs/dbraw/zinc/33/12/71/977331271.db2.gz	YKCBAJUEQHXNBP-CQSZACIVSA-N	1	0	355.364	1.670	20	30		FDEDRO
N#Cc1ccc(Cn2cc(NC(=O)N[C@@H]3C[NH2+]CCC3(F)F)cn2)cc1	ZINC000868195499	977340830	/nfs/dbraw/zinc/34/08/30/977340830.db2.gz	GCMLMVSSDMLAOR-OAHLLOKOSA-N	1	0	360.368	1.922	20	30		FDEDRO
N#Cc1cccc([C@@H](NC(=O)N2CCC([NH2+]CCO)CC2)C(F)(F)F)c1	ZINC000868209079	977346152	/nfs/dbraw/zinc/34/61/52/977346152.db2.gz	HBJZKPCKHUBQIQ-OAHLLOKOSA-N	1	0	370.375	1.918	20	30		FDEDRO
N#Cc1cccc([C@@H](NC(=O)N2CCCO[C@H](C[NH3+])C2)C(F)(F)F)c1	ZINC000868210889	977347967	/nfs/dbraw/zinc/34/79/67/977347967.db2.gz	RDFYARDSZPYTKR-ZIAGYGMSSA-N	1	0	356.348	1.921	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cc1C#N	ZINC000868251839	977395446	/nfs/dbraw/zinc/39/54/46/977395446.db2.gz	BFJJIGJJKSIBIM-KRWDZBQOSA-N	1	0	370.453	1.742	20	30		FDEDRO
C[NH2+]Cc1ccc(NC(=O)C(=O)N(C)CCc2cccc(C#N)c2)cc1	ZINC000868299876	977469681	/nfs/dbraw/zinc/46/96/81/977469681.db2.gz	OQZRSTWZSPYOTA-UHFFFAOYSA-N	1	0	350.422	1.917	20	30		FDEDRO
CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)c1	ZINC000868316460	977493740	/nfs/dbraw/zinc/49/37/40/977493740.db2.gz	IZSKUOCULLRLHS-IBGZPJMESA-N	1	0	362.433	1.890	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)CC2)cc1	ZINC000868353724	977521240	/nfs/dbraw/zinc/52/12/40/977521240.db2.gz	DUAXFNFHYUHASJ-KRWDZBQOSA-N	1	0	353.470	1.874	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1	ZINC000108612000	977609961	/nfs/dbraw/zinc/60/99/61/977609961.db2.gz	GCGZZLJPDZWDCA-INIZCTEOSA-N	1	0	357.454	1.874	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)n1	ZINC000849587368	977793301	/nfs/dbraw/zinc/79/33/01/977793301.db2.gz	IAGRUJGWORDOFQ-OALUTQOASA-N	1	0	368.485	1.334	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N(CC)[C@H]1CC[N@H+](CC)C1	ZINC000850606977	978474731	/nfs/dbraw/zinc/47/47/31/978474731.db2.gz	DHWHJYCZTONFFM-HNNXBMFYSA-N	1	0	361.417	1.719	20	30		FDEDRO
C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@](C)(C#N)C1	ZINC000850609407	978482609	/nfs/dbraw/zinc/48/26/09/978482609.db2.gz	YEZFHCVGNDZCSO-HXUWFJFHSA-N	1	0	356.470	1.381	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000850730199	978652903	/nfs/dbraw/zinc/65/29/03/978652903.db2.gz	QUVXQCWKMKTGBG-INIZCTEOSA-N	1	0	373.453	1.206	20	30		FDEDRO
C#CCSCCNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)c(F)c1	ZINC000851657041	978986572	/nfs/dbraw/zinc/98/65/72/978986572.db2.gz	VIURCRGSRPJRNP-HOCLYGCPSA-N	1	0	365.474	1.945	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC[C@H]2Sc3ccccc3NC2=O)CC1	ZINC000851740018	979023556	/nfs/dbraw/zinc/02/35/56/979023556.db2.gz	KHKBLZVVSBTKRT-QGZVFWFLSA-N	1	0	357.479	1.951	20	30		FDEDRO
C#CCCN1CC[NH+](C[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)CC1	ZINC000851873417	979141084	/nfs/dbraw/zinc/14/10/84/979141084.db2.gz	XRNKKHHJEYJKPK-QGZVFWFLSA-N	1	0	363.502	1.796	20	30		FDEDRO
C#C[C@H](NC(=O)NC[C@@H](C(CC)CC)[NH+]1CCOCC1)C1CCOCC1	ZINC000851943507	979208276	/nfs/dbraw/zinc/20/82/76/979208276.db2.gz	AGCVQCMZEJCDFT-OALUTQOASA-N	1	0	365.518	1.851	20	30		FDEDRO
C#CCOCC[N@H+]1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1	ZINC000851954327	979218838	/nfs/dbraw/zinc/21/88/38/979218838.db2.gz	SAHBUIFSVJPXCC-INIZCTEOSA-N	1	0	365.474	1.180	20	30		FDEDRO
C#CCC1(O)CC[NH+](CC(=O)N(C)CCOc2cc(C)cc(C)c2)CC1	ZINC000880479872	979220999	/nfs/dbraw/zinc/22/09/99/979220999.db2.gz	APIVULAUTMPUMU-UHFFFAOYSA-N	1	0	358.482	1.991	20	30		FDEDRO
C#CCC1(O)CC[NH+]([C@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1	ZINC000880481850	979221804	/nfs/dbraw/zinc/22/18/04/979221804.db2.gz	QJYJHGODCWKMRF-QGZVFWFLSA-N	1	0	373.472	1.713	20	30		FDEDRO
C#C[C@@H](NC(=O)NCc1cccc(OCC[NH+](C)C)c1)C1CCOCC1	ZINC000851974152	979234470	/nfs/dbraw/zinc/23/44/70/979234470.db2.gz	TUYLDQCTEVKWAJ-LJQANCHMSA-N	1	0	359.470	1.855	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC[C@H]([NH+]2CCOCC2)CC1	ZINC000852009900	979271143	/nfs/dbraw/zinc/27/11/43/979271143.db2.gz	QLRCPPDUSWMDCJ-OALUTQOASA-N	1	0	357.454	1.959	20	30		FDEDRO
C#C[C@](C)(CC)[NH2+][C@H](C)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1	ZINC000852098330	979350041	/nfs/dbraw/zinc/35/00/41/979350041.db2.gz	KLQCIWSEAFGPNX-CWTRNNRKSA-N	1	0	360.410	1.978	20	30		FDEDRO
C#C[C@](C)(CC)[NH2+]CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1	ZINC000852098459	979350310	/nfs/dbraw/zinc/35/03/10/979350310.db2.gz	OBQYXDMDFQAHCF-FUHWJXTLSA-N	1	0	354.516	1.726	20	30		FDEDRO
C#C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C)C1CCOCC1	ZINC000852114025	979360489	/nfs/dbraw/zinc/36/04/89/979360489.db2.gz	BCQOTZIVAVNYAJ-NZSAHSFTSA-N	1	0	365.518	1.851	20	30		FDEDRO
N#Cc1cc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(F)cc1F	ZINC000880715143	979405443	/nfs/dbraw/zinc/40/54/43/979405443.db2.gz	LDQAJHUBRSMOFV-CVEARBPZSA-N	1	0	350.369	1.899	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2ccc(OC)c(C#N)c2)CC1	ZINC000880877584	979508377	/nfs/dbraw/zinc/50/83/77/979508377.db2.gz	XZYLXFKOAMUVJR-OAHLLOKOSA-N	1	0	359.474	1.962	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000968020025	1014581709	/nfs/dbraw/zinc/58/17/09/1014581709.db2.gz	YUYZEUDYDZZTEJ-DLBZAZTESA-N	1	0	357.458	1.290	20	30		FDEDRO
N#Cc1cccc([C@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)C(F)(F)F)c1	ZINC000880924567	979528847	/nfs/dbraw/zinc/52/88/47/979528847.db2.gz	FYFPAZZKJRMZFU-KBPBESRZSA-N	1	0	356.348	1.527	20	30		FDEDRO
C#CCSCC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000888859662	979583628	/nfs/dbraw/zinc/58/36/28/979583628.db2.gz	JPKQZFMAIBHVFP-KRWDZBQOSA-N	1	0	359.495	1.367	20	30		FDEDRO
Cc1nc(C#N)cc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1	ZINC000881918829	980292279	/nfs/dbraw/zinc/29/22/79/980292279.db2.gz	GGQKYSSNHPZXQG-UHFFFAOYSA-N	1	0	350.470	1.911	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCCS(=O)(=O)C[C@@H]1c1ccccc1	ZINC000888910249	980601483	/nfs/dbraw/zinc/60/14/83/980601483.db2.gz	ZNQWLMZBTMPYHW-QGZVFWFLSA-N	1	0	350.484	1.883	20	30		FDEDRO
N#Cc1cnc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(Br)c1	ZINC000882636083	980773158	/nfs/dbraw/zinc/77/31/58/980773158.db2.gz	NUIYPEXDGPHBCQ-CYBMUJFWSA-N	1	0	351.248	1.751	20	30		FDEDRO
C[N@@H+]1Cc2ccccc2[C@H]1CNc1ccc(C#N)cc1CS(N)(=O)=O	ZINC000882697548	981607049	/nfs/dbraw/zinc/60/70/49/981607049.db2.gz	DVYDNDQGSBHIGH-GOSISDBHSA-N	1	0	356.451	1.945	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C2	ZINC001110734491	981694870	/nfs/dbraw/zinc/69/48/70/981694870.db2.gz	RBEHKBXGFVYJEE-JJXSEGSLSA-N	1	0	350.507	1.129	20	30		FDEDRO
C[N@H+](CCCn1ccnc1)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O	ZINC000130602639	981846603	/nfs/dbraw/zinc/84/66/03/981846603.db2.gz	UNZSRZOAHSXINJ-UHFFFAOYSA-N	1	0	366.425	1.499	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1	ZINC000858252701	981943225	/nfs/dbraw/zinc/94/32/25/981943225.db2.gz	PMCWXMBRHAXOIV-KBRIMQKVSA-N	1	0	351.472	1.927	20	30		FDEDRO
C#CC[C@@H](CO)[NH2+]Cc1ccc(Br)cc1N1CCOCC1	ZINC000883125099	981965457	/nfs/dbraw/zinc/96/54/57/981965457.db2.gz	YVVUKWDPJXVORM-HNNXBMFYSA-N	1	0	353.260	1.760	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3[nH]c(=O)[nH]c3c1)C2	ZINC001110746417	982033041	/nfs/dbraw/zinc/03/30/41/982033041.db2.gz	MDJLIBBNCVICRT-NFAWXSAZSA-N	1	0	357.414	1.201	20	30		FDEDRO
CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C(=O)Nc2cccc(CC#N)n2)CC1	ZINC000883610190	982306659	/nfs/dbraw/zinc/30/66/59/982306659.db2.gz	PJZBNUGHIVRZOF-INIZCTEOSA-N	1	0	355.442	1.323	20	30		FDEDRO
CON(C)C(=O)[C@@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000858994248	982442439	/nfs/dbraw/zinc/44/24/39/982442439.db2.gz	FRSXLDIBQHPOTE-OAHLLOKOSA-N	1	0	373.457	1.184	20	30		FDEDRO
CC(C)CNC(=O)C1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1	ZINC000859057149	982490082	/nfs/dbraw/zinc/49/00/82/982490082.db2.gz	BBHJZPOQRKDSEI-SFHVURJKSA-N	1	0	359.470	1.782	20	30		FDEDRO
CCOC(=O)N(C)C1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1	ZINC000859116806	982545444	/nfs/dbraw/zinc/54/54/44/982545444.db2.gz	YHKZYSPVPXOQRP-MRXNPFEDSA-N	1	0	353.463	1.610	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)C(=O)NCCCC)CC1	ZINC001202559706	982556691	/nfs/dbraw/zinc/55/66/91/982556691.db2.gz	KULYRLYKDIHEJS-UAGQMJEPSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)C(=O)NC(C)(C)CC)CC1	ZINC001202559840	982557710	/nfs/dbraw/zinc/55/77/10/982557710.db2.gz	QBEMBNBTVSNFPM-UAGQMJEPSA-N	1	0	365.518	1.851	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)CCOCC1	ZINC000859170803	982594657	/nfs/dbraw/zinc/59/46/57/982594657.db2.gz	APHMWUVZRHGMGB-SJORKVTESA-N	1	0	372.469	1.803	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccc(OCc3nc(C)no3)nc2)CC1	ZINC000859250250	982645472	/nfs/dbraw/zinc/64/54/72/982645472.db2.gz	IPWXCORCQCHTAL-UHFFFAOYSA-N	1	0	357.414	1.732	20	30		FDEDRO
COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000859257830	982652211	/nfs/dbraw/zinc/65/22/11/982652211.db2.gz	FXEUQFUEQDPVKY-OWCLPIDISA-N	1	0	353.463	1.514	20	30		FDEDRO
COC(=O)N1CCC[C@H]([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2C#N)C1	ZINC000859258915	982653410	/nfs/dbraw/zinc/65/34/10/982653410.db2.gz	XHLBQAWACUSIRC-BHYGNILZSA-N	1	0	361.442	1.754	20	30		FDEDRO
C[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)[C@H]1CCN(Cc2ccccc2)C1=O	ZINC000859273515	982670113	/nfs/dbraw/zinc/67/01/13/982670113.db2.gz	AIPHWWLPXKQUEP-OALUTQOASA-N	1	0	371.481	1.791	20	30		FDEDRO
C[NH2+]CCOc1cccc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1	ZINC000884006950	982697821	/nfs/dbraw/zinc/69/78/21/982697821.db2.gz	JOKDJRMBDBXLIX-UHFFFAOYSA-N	1	0	365.437	1.514	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N(CCc1ccccc1)CC[NH+](C)C	ZINC000800009502	982707193	/nfs/dbraw/zinc/70/71/93/982707193.db2.gz	OJSXOTTUAADQLI-QGZVFWFLSA-N	1	0	366.531	1.819	20	30		FDEDRO
CCCCCCCNC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1	ZINC000859360671	982746051	/nfs/dbraw/zinc/74/60/51/982746051.db2.gz	LTFCXSPGKQECCK-ROUUACIJSA-N	1	0	366.550	1.557	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCCN1CCO[C@@H](C)C1	ZINC000800133543	982760213	/nfs/dbraw/zinc/76/02/13/982760213.db2.gz	IWKYFWYSCUNRQH-ZDUSSCGKSA-N	1	0	371.441	1.414	20	30		FDEDRO
C=CC[C@H]1CC[N@@H+](CC(=O)NN2C(=O)N[C@](CC)(c3ccccc3)C2=O)C1	ZINC000859445943	982815639	/nfs/dbraw/zinc/81/56/39/982815639.db2.gz	WKWJHKULZHIQFY-MGPUTAFESA-N	1	0	370.453	1.773	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1	ZINC000884071858	982818547	/nfs/dbraw/zinc/81/85/47/982818547.db2.gz	JAMONYWATOCLBW-SFHVURJKSA-N	1	0	358.486	1.524	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NCc2cccc(OCC[NH+](C)C)c2)C1	ZINC000884072905	982821784	/nfs/dbraw/zinc/82/17/84/982821784.db2.gz	STEGHFVVEDTVMM-GOSISDBHSA-N	1	0	358.486	1.524	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCC(NC(=O)CC3CCCC3)CC1)C2	ZINC000884132281	982914521	/nfs/dbraw/zinc/91/45/21/982914521.db2.gz	LPHUIVQAGLDKNT-BQIYRTECSA-N	1	0	372.513	1.813	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCCC(=O)N1CCc3ccccc31)C2	ZINC000884136288	982918847	/nfs/dbraw/zinc/91/88/47/982918847.db2.gz	IEXWGOXHPZVHEJ-BQIYRTECSA-N	1	0	366.465	1.611	20	30		FDEDRO
COCCOc1cc(C)ccc1CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884163068	982939622	/nfs/dbraw/zinc/93/96/22/982939622.db2.gz	VWHABQCCKWUFQH-OHTSDLOESA-N	1	0	357.454	1.776	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H](CN1CCOCC1)c1ccccc1)C2	ZINC000884180844	982954243	/nfs/dbraw/zinc/95/42/43/982954243.db2.gz	MAVMWOFPDLQJRS-LSNYBQGISA-N	1	0	368.481	1.315	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccnc(N3CCCCC3)c1)C2	ZINC000884183422	982959294	/nfs/dbraw/zinc/95/92/94/982959294.db2.gz	MRIARUUYBZASEG-GNZRSQJKSA-N	1	0	353.470	1.827	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1ccn(CCc3ccncc3)n1)C2	ZINC000884207760	982983977	/nfs/dbraw/zinc/98/39/77/982983977.db2.gz	FIJQQYKJGJLSIS-WUJZJPHMSA-N	1	0	350.426	1.599	20	30		FDEDRO
Cc1ccc(CN2CCOCC2)cc1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884224791	982998514	/nfs/dbraw/zinc/99/85/14/982998514.db2.gz	ZBEOIDZQNHKAIA-WBTXTPOCSA-N	1	0	368.481	1.905	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(CO)cc2)[nH]1	ZINC001095328218	983003269	/nfs/dbraw/zinc/00/32/69/983003269.db2.gz	XXVCRFRIDNVZCT-NEWSRXKRSA-N	1	0	350.422	1.914	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C	ZINC000884233681	983008905	/nfs/dbraw/zinc/00/89/05/983008905.db2.gz	VGSBAUNZKQUHPK-KRWDZBQOSA-N	1	0	374.485	1.522	20	30		FDEDRO
COc1ccccc1[C@H]1CNCCN1C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884278950	983049958	/nfs/dbraw/zinc/04/99/58/983049958.db2.gz	XMVIPVFBZXMJRC-WAGVIYRNSA-N	1	0	354.454	1.307	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCNC(=O)[C@@H]1CC1CCCCC1)C2	ZINC000884348379	983106719	/nfs/dbraw/zinc/10/67/19/983106719.db2.gz	XPONEALSQZWTHG-ASPXRTSYSA-N	1	0	358.486	1.423	20	30		FDEDRO
COc1ccc(N2CC[C@@H](CNC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)C2)cc1	ZINC000884369216	983119136	/nfs/dbraw/zinc/11/91/36/983119136.db2.gz	WPHBIQSRJXZALQ-CLIJALBYSA-N	1	0	368.481	1.777	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCN(c3ccc(F)cc3)C1=O)C2	ZINC000884435981	983153997	/nfs/dbraw/zinc/15/39/97/983153997.db2.gz	PQOHLBGPMQEWTH-VASJYLSYSA-N	1	0	356.401	1.187	20	30		FDEDRO
N#Cc1c(NC(=O)CC[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)sc2c1CCCC2	ZINC000860156467	983264931	/nfs/dbraw/zinc/26/49/31/983264931.db2.gz	BMOCZIFBLNFIJU-BXUZGUMPSA-N	1	0	359.451	1.932	20	30		FDEDRO
CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C1	ZINC000861341967	983692914	/nfs/dbraw/zinc/69/29/14/983692914.db2.gz	TYSIHMOYZRFDBF-IFXJQAMLSA-N	1	0	361.442	1.861	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)c1ccncc1	ZINC000861494008	983747033	/nfs/dbraw/zinc/74/70/33/983747033.db2.gz	ISFNRYSKPIOWRT-QGZVFWFLSA-N	1	0	366.421	1.936	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1	ZINC000861636490	983797919	/nfs/dbraw/zinc/79/79/19/983797919.db2.gz	OOJSSXPVPAKGRN-FQEVSTJZSA-N	1	0	371.481	1.999	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](c1ccccc1)C1CC1)C2	ZINC001110806449	983840399	/nfs/dbraw/zinc/84/03/99/983840399.db2.gz	QFCFOCQTBAIIKW-WERVVEIQSA-N	1	0	365.477	1.651	20	30		FDEDRO
CSc1nc(C2CC2)cc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)c1C#N	ZINC000861711054	983849628	/nfs/dbraw/zinc/84/96/28/983849628.db2.gz	SANDDPGNHVPFFD-ZIAGYGMSSA-N	1	0	372.494	1.834	20	30		FDEDRO
CCCCCCCNC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1	ZINC000861786308	983920572	/nfs/dbraw/zinc/92/05/72/983920572.db2.gz	VLKYHELFULDZLW-DLBZAZTESA-N	1	0	353.507	1.818	20	30		FDEDRO
C#CC[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C(=O)OC	ZINC000861950380	984008957	/nfs/dbraw/zinc/00/89/57/984008957.db2.gz	DNFYJIIAYHBKFY-ZWKOTPCHSA-N	1	0	354.450	1.970	20	30		FDEDRO
C#CC[C@H](CCOC)[NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1	ZINC000862547887	984409382	/nfs/dbraw/zinc/40/93/82/984409382.db2.gz	SGUWMSLBXPTACN-OAHLLOKOSA-N	1	0	368.503	1.198	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@]3(C#N)CCCOC3)CC2)c1	ZINC000869164505	984920114	/nfs/dbraw/zinc/92/01/14/984920114.db2.gz	XYQUDVRVAOEQOS-FQEVSTJZSA-N	1	0	352.438	1.959	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1	ZINC000869191298	984934902	/nfs/dbraw/zinc/93/49/02/984934902.db2.gz	URTIPUIIIPZTON-DNVCBOLYSA-N	1	0	368.481	1.920	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2ccc(CCC#N)cc2)CC1	ZINC000885123797	985189536	/nfs/dbraw/zinc/18/95/36/985189536.db2.gz	SDMBWUDBMIOPNX-INIZCTEOSA-N	1	0	364.515	1.447	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2ccc(CCC#N)cc2)CCN1CC(C)(C)O	ZINC000885125861	985190900	/nfs/dbraw/zinc/19/09/00/985190900.db2.gz	OXIXVKMXKNPQDN-OAHLLOKOSA-N	1	0	365.499	1.608	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F	ZINC000885279033	985282674	/nfs/dbraw/zinc/28/26/74/985282674.db2.gz	ARGSVDCDZDPWQS-MRXNPFEDSA-N	1	0	365.424	1.605	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(N3CCOCC3=O)c(C)c2)CC1	ZINC000885627316	985499579	/nfs/dbraw/zinc/49/95/79/985499579.db2.gz	UJYUJIJVXDBNOR-UHFFFAOYSA-N	1	0	355.438	1.642	20	30		FDEDRO
C#CCNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1	ZINC001114454309	985717774	/nfs/dbraw/zinc/71/77/74/985717774.db2.gz	ZWCFFHDCXRCYJU-TYZHSBRISA-N	1	0	365.477	1.366	20	30		FDEDRO
C#CC[C@H]1CC[N@@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1	ZINC000886356252	986095090	/nfs/dbraw/zinc/09/50/90/986095090.db2.gz	WZEOYWSCTSHLTG-INIZCTEOSA-N	1	0	359.445	1.624	20	30		FDEDRO
C#CC[C@@H]1CC[N@@H+](C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1	ZINC000886363836	986103708	/nfs/dbraw/zinc/10/37/08/986103708.db2.gz	FHMBYNHRLQEJDY-UYAOXDASSA-N	1	0	357.498	1.523	20	30		FDEDRO
C#CC[C@@H]1CC[N@@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1	ZINC000886363909	986103737	/nfs/dbraw/zinc/10/37/37/986103737.db2.gz	ICYPCHVLOZBRKQ-IAGOWNOFSA-N	1	0	356.495	1.802	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](C(=O)OC)C[C@H]2[C@H]2CCCO2)CC1	ZINC000886387371	986137287	/nfs/dbraw/zinc/13/72/87/986137287.db2.gz	BBPSUJWNEZBGLH-OKZBNKHCSA-N	1	0	362.470	1.291	20	30		FDEDRO
C[NH+](C)CCn1cc(NS(=O)(=O)c2ccc(CCC#N)cc2)ccc1=O	ZINC000886399112	986154070	/nfs/dbraw/zinc/15/40/70/986154070.db2.gz	GQQOLQRQWNDEDO-UHFFFAOYSA-N	1	0	374.466	1.667	20	30		FDEDRO
C#CC[N@@H+](C[C@@H](O)CC(=O)OCC)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886426193	986202104	/nfs/dbraw/zinc/20/21/04/986202104.db2.gz	MFXZOIARJUVVPD-INIZCTEOSA-N	1	0	368.474	1.635	20	30		FDEDRO
C#CCN(C(=O)Cc1cc[nH]c(=O)c1Br)C1CC[NH+](C)CC1	ZINC000886577326	986377985	/nfs/dbraw/zinc/37/79/85/986377985.db2.gz	DQERUFTVMYMMKI-UHFFFAOYSA-N	1	0	366.259	1.648	20	30		FDEDRO
C#CCN(C(=O)[C@H](O)[C@H](O)c1nc2ccccc2s1)C1CC[NH+](C)CC1	ZINC000886578809	986380187	/nfs/dbraw/zinc/38/01/87/986380187.db2.gz	MKXRAJHGKOWIDW-DLBZAZTESA-N	1	0	373.478	1.247	20	30		FDEDRO
C#CCN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CC[NH+](C)CC1	ZINC000886582345	986385909	/nfs/dbraw/zinc/38/59/09/986385909.db2.gz	QMXIJXOVJQXDAM-UHFFFAOYSA-N	1	0	367.409	1.950	20	30		FDEDRO
C#CCN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CC[NH+](C)CC1	ZINC000886583538	986387721	/nfs/dbraw/zinc/38/77/21/986387721.db2.gz	UJZWMRKZGQATQF-UHFFFAOYSA-N	1	0	367.409	1.950	20	30		FDEDRO
C#CCN(C(=O)C[C@@H](NC(N)=O)c1cccc(C)c1)C1CC[NH+](C)CC1	ZINC000886585472	986391260	/nfs/dbraw/zinc/39/12/60/986391260.db2.gz	XMNQFTNFUMKMQA-GOSISDBHSA-N	1	0	356.470	1.651	20	30		FDEDRO
C#CCN(C(=O)Cn1cnc2c(C)cccc2c1=O)C1CC[NH+](C)CC1	ZINC000886585483	986391927	/nfs/dbraw/zinc/39/19/27/986391927.db2.gz	XWQBBJCPHAFDNG-UHFFFAOYSA-N	1	0	352.438	1.261	20	30		FDEDRO
C#CCN(C(=O)c1ccc(CN2C(=O)CCC2=O)cc1)C1CC[NH+](C)CC1	ZINC000886586978	986391966	/nfs/dbraw/zinc/39/19/66/986391966.db2.gz	ATBCYOSRLIPNGJ-UHFFFAOYSA-N	1	0	367.449	1.505	20	30		FDEDRO
C#CCN(C(=O)CCN1c2ccccc2OCC1=O)C1CC[NH+](C)CC1	ZINC000886587259	986393165	/nfs/dbraw/zinc/39/31/65/986393165.db2.gz	OQMYASRDUTZZES-UHFFFAOYSA-N	1	0	355.438	1.358	20	30		FDEDRO
C#CCN(C(=O)c1ccc2c(c1)nc1n(c2=O)CCC1)C1CC[NH+](C)CC1	ZINC000886587229	986393524	/nfs/dbraw/zinc/39/35/24/986393524.db2.gz	MTOWERPJYCARBH-UHFFFAOYSA-N	1	0	364.449	1.512	20	30		FDEDRO
C#CCN1CCC[C@H]([NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)C1	ZINC000886661231	986465563	/nfs/dbraw/zinc/46/55/63/986465563.db2.gz	PKSRNQAZPAVLFG-ZBFHGGJFSA-N	1	0	350.484	1.847	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H](Cc3nc(C)cs3)C2)CC1	ZINC000886693408	986479024	/nfs/dbraw/zinc/47/90/24/986479024.db2.gz	AIXVHLAGFAZJJY-KRWDZBQOSA-N	1	0	360.527	1.483	20	30		FDEDRO
C=CCC1(O)CC[NH+](CC(=O)N2CCN(Cc3cccs3)CC2)CC1	ZINC000886757976	986558910	/nfs/dbraw/zinc/55/89/10/986558910.db2.gz	WYTBDNLSOWAIBO-UHFFFAOYSA-N	1	0	363.527	1.795	20	30		FDEDRO
Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1	ZINC000871048066	986613679	/nfs/dbraw/zinc/61/36/79/986613679.db2.gz	NXIJAYCYHJGGPP-DOTOQJQBSA-N	1	0	352.442	1.796	20	30		FDEDRO
COCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1	ZINC000871081669	986651630	/nfs/dbraw/zinc/65/16/30/986651630.db2.gz	AVEGWWSYHSWFFR-ROUUACIJSA-N	1	0	366.469	1.994	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1	ZINC000886882520	986684374	/nfs/dbraw/zinc/68/43/74/986684374.db2.gz	VIHRERDCKOZZLC-HVEKOLDVSA-N	1	0	351.443	1.479	20	30		FDEDRO
N#CCCc1ccc(S(=O)(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1	ZINC000886889423	986692862	/nfs/dbraw/zinc/69/28/62/986692862.db2.gz	UTOZRXPHDSZAJP-INIZCTEOSA-N	1	0	363.483	1.580	20	30		FDEDRO
COC[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCCOC1	ZINC000886913389	986734515	/nfs/dbraw/zinc/73/45/15/986734515.db2.gz	AXTGVXNMTHZJIC-WBVHZDCISA-N	1	0	352.456	1.363	20	30		FDEDRO
C[NH+]1CCC(CNC(=S)N2CCN(c3ccc(C#N)nc3)CC2)CC1	ZINC000871676872	987191025	/nfs/dbraw/zinc/19/10/25/987191025.db2.gz	MRBVUXSUUNNASX-UHFFFAOYSA-N	1	0	358.515	1.292	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)Nc3cc(CC#N)ccn3)CC2)CC1	ZINC000871721840	987209062	/nfs/dbraw/zinc/20/90/62/987209062.db2.gz	CFZAWRXFULIOGE-UHFFFAOYSA-N	1	0	356.474	1.828	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2	ZINC000871820658	987275477	/nfs/dbraw/zinc/27/54/77/987275477.db2.gz	SRJQXMVDGNUQEC-UONOGXRCSA-N	1	0	370.272	1.884	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)cc1Br	ZINC000871820458	987275510	/nfs/dbraw/zinc/27/55/10/987275510.db2.gz	PHLDBWIZJXKPSS-UONOGXRCSA-N	1	0	370.272	1.884	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N[C@]12CCC[C@@H]1[NH2+]CC2	ZINC000871820656	987275523	/nfs/dbraw/zinc/27/55/23/987275523.db2.gz	SRJQXMVDGNUQEC-KBPBESRZSA-N	1	0	370.272	1.884	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1	ZINC000872187311	987488772	/nfs/dbraw/zinc/48/87/72/987488772.db2.gz	UGKNFLYOWISDHL-UONOGXRCSA-N	1	0	368.359	1.112	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1	ZINC000872192613	987498555	/nfs/dbraw/zinc/49/85/55/987498555.db2.gz	YBOBLABGMNBXKB-JSGCOSHPSA-N	1	0	373.375	1.432	20	30		FDEDRO
C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N	ZINC000796574261	1015320994	/nfs/dbraw/zinc/32/09/94/1015320994.db2.gz	HTQAYFYACXCEFT-QRTARXTBSA-N	1	0	366.421	1.695	20	30		FDEDRO
CCN(CCC#N)C(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1	ZINC000124080809	987656868	/nfs/dbraw/zinc/65/68/68/987656868.db2.gz	XZTWAFAKRGFCCJ-UHFFFAOYSA-N	1	0	371.485	1.918	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292958703	987945103	/nfs/dbraw/zinc/94/51/03/987945103.db2.gz	KDUCVPAUIJRAKI-INIZCTEOSA-N	1	0	361.446	1.084	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1	ZINC000365750667	988043983	/nfs/dbraw/zinc/04/39/83/988043983.db2.gz	WZHYPXBYEXJZBT-UHFFFAOYSA-N	1	0	361.486	1.010	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000293381294	988055324	/nfs/dbraw/zinc/05/53/24/988055324.db2.gz	MVZYPRKUHTXBAV-UHFFFAOYSA-N	1	0	364.352	1.169	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)CC1	ZINC000299173700	988198451	/nfs/dbraw/zinc/19/84/51/988198451.db2.gz	ZGFAJZNHRVNAFX-UHFFFAOYSA-N	1	0	357.429	1.455	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1	ZINC000872868474	988207128	/nfs/dbraw/zinc/20/71/28/988207128.db2.gz	FPWHVFSSHWNWDI-UHFFFAOYSA-N	1	0	353.507	1.400	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)cn1	ZINC000872875250	988219820	/nfs/dbraw/zinc/21/98/20/988219820.db2.gz	DCLFMUPWPYGVDF-ROUUACIJSA-N	1	0	354.458	1.412	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC1	ZINC000872880405	988228189	/nfs/dbraw/zinc/22/81/89/988228189.db2.gz	DKKFZNQSTLYTRU-UHFFFAOYSA-N	1	0	368.485	1.825	20	30		FDEDRO
C[C@@]1(C2CC[NH+](CCCOc3ccc(C#N)cc3)CC2)NC(=O)NC1=O	ZINC000365933182	988238734	/nfs/dbraw/zinc/23/87/34/988238734.db2.gz	BFIXPVLEMWWYTI-IBGZPJMESA-N	1	0	356.426	1.637	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1)[N@@H+]1CCC[C@H](C)C1	ZINC000872890656	988245154	/nfs/dbraw/zinc/24/51/54/988245154.db2.gz	MDGBSTDJAMANKB-DLBZAZTESA-N	1	0	370.501	1.905	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1)[N@@H+]1CCC[C@H](C)C1	ZINC000872890658	988245502	/nfs/dbraw/zinc/24/55/02/988245502.db2.gz	MDGBSTDJAMANKB-IRXDYDNUSA-N	1	0	370.501	1.905	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1	ZINC000299225812	988250576	/nfs/dbraw/zinc/25/05/76/988250576.db2.gz	XKKALYLEYNDUMZ-IBGZPJMESA-N	1	0	368.481	1.873	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)CCSC1	ZINC000872925103	988291593	/nfs/dbraw/zinc/29/15/93/988291593.db2.gz	KKLXECKNGBIILT-SFHVURJKSA-N	1	0	374.514	1.222	20	30		FDEDRO
O=C(C#Cc1ccc2c(c1)OCO2)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1	ZINC000361258281	988314156	/nfs/dbraw/zinc/31/41/56/988314156.db2.gz	OKACGCVEJNTLCN-IRXDYDNUSA-N	1	0	356.422	1.384	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)ccc1F	ZINC000361390209	988361347	/nfs/dbraw/zinc/36/13/47/988361347.db2.gz	FGUSBLPFFBEORX-JLJPHGGASA-N	1	0	356.401	1.579	20	30		FDEDRO
C[NH+](C)C1CCC(NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC1	ZINC000873045474	988474135	/nfs/dbraw/zinc/47/41/35/988474135.db2.gz	FUKFARNZASGGCP-UHFFFAOYSA-N	1	0	356.474	1.658	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1nnn(-c2ccn(C)n2)c1C)C(C)C	ZINC000294746176	988533999	/nfs/dbraw/zinc/53/39/99/988533999.db2.gz	LQICQSWAUHGJQB-INIZCTEOSA-N	1	0	371.489	1.738	20	30		FDEDRO
N#CCCN(C(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1)c1ccccc1	ZINC000362080296	988575725	/nfs/dbraw/zinc/57/57/25/988575725.db2.gz	RSTIOONDJOJQFP-WMZOPIPTSA-N	1	0	354.454	1.924	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C[N@@H+]1C1CC1	ZINC000366271406	988591311	/nfs/dbraw/zinc/59/13/11/988591311.db2.gz	UKTDPWRBRZPHBE-UKPHBRMFSA-N	1	0	355.442	1.741	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1cccc(N2C(=O)CCC2=O)c1	ZINC000299633489	988641404	/nfs/dbraw/zinc/64/14/04/988641404.db2.gz	LOTJEVUUEFZMPV-UHFFFAOYSA-N	1	0	356.426	1.648	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc(-c2cc[nH]n2)c1	ZINC000299668891	988669127	/nfs/dbraw/zinc/66/91/27/988669127.db2.gz	MBXNXXVYZNKXJX-UHFFFAOYSA-N	1	0	368.441	1.709	20	30		FDEDRO
COc1ccc(C[N@@H+]2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)cc1OCCCC#N	ZINC000366486387	988713900	/nfs/dbraw/zinc/71/39/00/988713900.db2.gz	XKVTVXRFSFTIQI-GJZGRUSLSA-N	1	0	357.410	1.472	20	30		FDEDRO
C=CCN1CC[C@@H](N2C[C@@H](C)N([C@H]3CCN(CC=C)C3=O)CC2(C)C)C1=O	ZINC000295849599	988787134	/nfs/dbraw/zinc/78/71/34/988787134.db2.gz	BWFDWCMYEUEEEB-FGTMMUONSA-N	1	0	374.529	1.345	20	30		FDEDRO
N#C[C@H]1CN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CCN1C1CC1	ZINC000363081063	988906776	/nfs/dbraw/zinc/90/67/76/988906776.db2.gz	DROZPGZDMCCXSM-DLBZAZTESA-N	1	0	357.458	1.798	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C#N)c(F)cc2C)CC1	ZINC000873691056	988999149	/nfs/dbraw/zinc/99/91/49/988999149.db2.gz	NNANWFTXVRTJSE-UHFFFAOYSA-N	1	0	362.405	1.171	20	30		FDEDRO
N#Cc1cc(NC2CC[NH+](CC(=O)N3CCCC3)CC2)ccc1[N+](=O)[O-]	ZINC000368642761	989000977	/nfs/dbraw/zinc/00/09/77/989000977.db2.gz	OTCCDAPDKLERER-UHFFFAOYSA-N	1	0	357.414	1.965	20	30		FDEDRO
N#Cc1ccc(C[C@H](C#N)C(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)cc1	ZINC000369101943	989024927	/nfs/dbraw/zinc/02/49/27/989024927.db2.gz	STKGZDMZFIECAS-ZCNNSNEGSA-N	1	0	366.465	1.858	20	30		FDEDRO
CCCN1CC[NH+](C2CCN(CC(=O)N[C@](C)(C#N)C3CC3)CC2)CC1	ZINC000369156750	989031730	/nfs/dbraw/zinc/03/17/30/989031730.db2.gz	PVUFIHJOSUACAT-HXUWFJFHSA-N	1	0	361.534	1.287	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@@H]2CCCN(c3ccc(C)cc3)C2=O)CC1	ZINC000363285176	989061706	/nfs/dbraw/zinc/06/17/06/989061706.db2.gz	DXLIDOFIUQHDBZ-LJQANCHMSA-N	1	0	353.466	1.952	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(NC(=O)c2cccn2C)CC1	ZINC000363379284	989144058	/nfs/dbraw/zinc/14/40/58/989144058.db2.gz	NQBHUAJAFWKZTB-INIZCTEOSA-N	1	0	358.486	1.808	20	30		FDEDRO
N#Cc1ccc(N2CCC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1	ZINC000369784083	989173191	/nfs/dbraw/zinc/17/31/91/989173191.db2.gz	ZCDAPRDTERXXMG-GOSISDBHSA-N	1	0	370.413	1.236	20	30		FDEDRO
CON=C(C(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1csc(N)n1	ZINC000873809714	989235591	/nfs/dbraw/zinc/23/55/91/989235591.db2.gz	QJNNIQNDFZIDLF-JTQLQIEISA-N	1	0	353.473	1.556	20	30		FDEDRO
C#CCN(C(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(F)c1)C1CC1	ZINC000873829714	989270833	/nfs/dbraw/zinc/27/08/33/989270833.db2.gz	UYLINWQVYNEYMO-UHFFFAOYSA-N	1	0	372.444	1.530	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(C(=O)Cc3ccc(OCC#N)cc3)CC2)C1	ZINC000363542190	989284718	/nfs/dbraw/zinc/28/47/18/989284718.db2.gz	RZYXMGPLIQBUFG-SFHVURJKSA-N	1	0	356.470	1.370	20	30		FDEDRO
N#Cc1ccc(CNC(=O)CN2CCC[N@@H+](C3CCOCC3)CC2)cc1	ZINC000363550961	989292114	/nfs/dbraw/zinc/29/21/14/989292114.db2.gz	IVWXSTSXHUQTCE-UHFFFAOYSA-N	1	0	356.470	1.361	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1	ZINC000363551827	989293682	/nfs/dbraw/zinc/29/36/82/989293682.db2.gz	UGMOCHKPDUHKJC-QGZVFWFLSA-N	1	0	353.466	1.952	20	30		FDEDRO
CON=C(C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)c1csc(N)n1	ZINC000873845468	989313960	/nfs/dbraw/zinc/31/39/60/989313960.db2.gz	ZXIVONZPIBBYID-CYBMUJFWSA-N	1	0	365.434	1.634	20	30		FDEDRO
C#C[C@H](CCC)NC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(F)c1	ZINC000873848556	989320051	/nfs/dbraw/zinc/32/00/51/989320051.db2.gz	ZQGNOKLYUPSGQD-OAHLLOKOSA-N	1	0	374.460	1.824	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)CC1	ZINC000370021221	989391597	/nfs/dbraw/zinc/39/15/97/989391597.db2.gz	UDLAJHRUBINVAF-QGZVFWFLSA-N	1	0	374.529	1.955	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCC(=O)NCc1cccc(C#N)c1	ZINC000363706413	989400742	/nfs/dbraw/zinc/40/07/42/989400742.db2.gz	NEIGDAAHXOYMOY-AHRSYUTCSA-N	1	0	370.497	1.653	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCN(C(=O)c2cc(C)oc2C)CC1	ZINC000296766618	989403804	/nfs/dbraw/zinc/40/38/04/989403804.db2.gz	GAYVYIFJRFBYBI-UHFFFAOYSA-N	1	0	360.458	1.319	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NCCCCC[NH+]2CCCC2)cc1C#N	ZINC000873895192	989408453	/nfs/dbraw/zinc/40/84/53/989408453.db2.gz	WFCGNIOKNXFNLE-UHFFFAOYSA-N	1	0	358.442	1.888	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC2CC[NH+](C3CCC3)CC2)cc1C#N	ZINC000873907824	989430696	/nfs/dbraw/zinc/43/06/96/989430696.db2.gz	MMOMNANBMYLCOB-UHFFFAOYSA-N	1	0	356.426	1.638	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cc1	ZINC000296836335	989432680	/nfs/dbraw/zinc/43/26/80/989432680.db2.gz	LPAKIFWHQVHKEK-QGZVFWFLSA-N	1	0	358.486	1.524	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O	ZINC000297013202	989460417	/nfs/dbraw/zinc/46/04/17/989460417.db2.gz	VPLUNGCCKSHPRO-KRWDZBQOSA-N	1	0	360.433	1.181	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H]1C(=O)NCC1CCOCC1	ZINC000370185831	989531404	/nfs/dbraw/zinc/53/14/04/989531404.db2.gz	RYXXFQYWKITSOX-DOTOQJQBSA-N	1	0	364.490	1.002	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1CCn2c(C3CCCC3)nnc2[C@@H]1C	ZINC000297514361	989555486	/nfs/dbraw/zinc/55/54/86/989555486.db2.gz	PKANELSMAZVJRZ-HNNXBMFYSA-N	1	0	358.490	1.977	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)N1CCC(C#N)(c2ccccn2)CC1	ZINC000370250088	989590154	/nfs/dbraw/zinc/59/01/54/989590154.db2.gz	ZJTNZHOLXRZFEL-UHFFFAOYSA-N	1	0	359.474	1.617	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)N1CCCN(CC(=O)N(CC)CC)CC1	ZINC000297839520	989718993	/nfs/dbraw/zinc/71/89/93/989718993.db2.gz	KJINFCQJNZTNAB-GOSISDBHSA-N	1	0	364.534	1.452	20	30		FDEDRO
C=CCN(C(=O)[C@@H]1CC[C@H](C(N)=O)O1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000370479057	989776651	/nfs/dbraw/zinc/77/66/51/989776651.db2.gz	YQYUUHDCFHMBLE-KURKYZTESA-N	1	0	357.454	1.308	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)NCc1c(C)nn(C)c1N1CCC[N@H+](C)CC1	ZINC000364764755	989777428	/nfs/dbraw/zinc/77/74/28/989777428.db2.gz	TWRUOAUKXWMLSR-INIZCTEOSA-N	1	0	363.506	1.468	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)nc1	ZINC000874156030	989816864	/nfs/dbraw/zinc/81/68/64/989816864.db2.gz	IRNLWZSRDXNLLE-MRXNPFEDSA-N	1	0	355.442	1.805	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1	ZINC000874171177	989862956	/nfs/dbraw/zinc/86/29/56/989862956.db2.gz	RAVOXWAHQZKYKP-RDJZCZTQSA-N	1	0	370.453	1.837	20	30		FDEDRO
CON=C(C(=O)N1CCC([NH+]2CCCCC2)CC1)c1csc(N)n1	ZINC000874181610	989904628	/nfs/dbraw/zinc/90/46/28/989904628.db2.gz	YCXVVYQQKANUEZ-UHFFFAOYSA-N	1	0	351.476	1.553	20	30		FDEDRO
CN(C(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1)[C@H]1CCC[N@H+](C)C1	ZINC000364971309	989924342	/nfs/dbraw/zinc/92/43/42/989924342.db2.gz	DLARNRIXKJVBKJ-ZWKOTPCHSA-N	1	0	354.454	1.602	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](Cc3nnc4ccccn43)C2)CC1	ZINC000370697607	989937610	/nfs/dbraw/zinc/93/76/10/989937610.db2.gz	GVHDGPQUNVEJOU-KRWDZBQOSA-N	1	0	365.481	1.856	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2cccnc2)CC1	ZINC000370756252	989970223	/nfs/dbraw/zinc/97/02/23/989970223.db2.gz	ZRTZSPFLVORAJB-ZDUSSCGKSA-N	1	0	359.430	1.132	20	30		FDEDRO
C#CCCN1CCN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)CC1	ZINC000874263404	989996049	/nfs/dbraw/zinc/99/60/49/989996049.db2.gz	DEQXRGYOWYNVTF-UHFFFAOYSA-N	1	0	369.469	1.085	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NCC[N@@H+](C)[C@@H](C)CC)s1	ZINC000874300502	990063239	/nfs/dbraw/zinc/06/32/39/990063239.db2.gz	SYFOSMBQWSXVCR-ZDUSSCGKSA-N	1	0	373.544	1.601	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)cc1	ZINC000298583280	990175386	/nfs/dbraw/zinc/17/53/86/990175386.db2.gz	NGIIYIGMNZLCOK-MSOLQXFVSA-N	1	0	357.454	1.536	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)cc1	ZINC000298583283	990175534	/nfs/dbraw/zinc/17/55/34/990175534.db2.gz	NGIIYIGMNZLCOK-QZTJIDSGSA-N	1	0	357.454	1.536	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)cc1	ZINC000874366439	990187341	/nfs/dbraw/zinc/18/73/41/990187341.db2.gz	VAYLEVXAFFKWBZ-DLBZAZTESA-N	1	0	370.453	1.236	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1noc(-c2ccccc2F)c1C	ZINC000298705885	990232991	/nfs/dbraw/zinc/23/29/91/990232991.db2.gz	AFHIYRXESCZWDL-UHFFFAOYSA-N	1	0	372.400	1.799	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c(OC)c1	ZINC000365512471	990260144	/nfs/dbraw/zinc/26/01/44/990260144.db2.gz	LJIHGGVKXBGJJS-GOSISDBHSA-N	1	0	374.481	1.983	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCCN(c2ncccc2C(N)=O)CC1	ZINC000371558011	990525200	/nfs/dbraw/zinc/52/52/00/990525200.db2.gz	MBEVCIKBPDXXBZ-INIZCTEOSA-N	1	0	371.485	1.282	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH2+][C@H]2CCN(CCN3CCOCC3)C2)cc1	ZINC000371664464	990609255	/nfs/dbraw/zinc/60/92/55/990609255.db2.gz	UFWPFGONPBLCSV-FQEVSTJZSA-N	1	0	371.529	1.533	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1	ZINC000875060757	990811132	/nfs/dbraw/zinc/81/11/32/990811132.db2.gz	FTRQQRHFIZLMOB-LJQANCHMSA-N	1	0	371.481	1.096	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1	ZINC000875066436	990822158	/nfs/dbraw/zinc/82/21/58/990822158.db2.gz	SIPPDMDRWCUAKK-BRWVUGGUSA-N	1	0	351.491	1.015	20	30		FDEDRO
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1	ZINC000371922716	990826665	/nfs/dbraw/zinc/82/66/65/990826665.db2.gz	GQSIKVFIFTZRRO-RTBURBONSA-N	1	0	356.470	1.484	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1	ZINC000875122365	990926243	/nfs/dbraw/zinc/92/62/43/990926243.db2.gz	MSNSMCZWIYYHFC-HZPDHXFCSA-N	1	0	351.491	1.158	20	30		FDEDRO
C[C@H](CNC(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O)[N@H+](C)C1CC1	ZINC000372210383	990963128	/nfs/dbraw/zinc/96/31/28/990963128.db2.gz	PKGFGINYTSFXIX-LAPQFRIASA-N	1	0	367.453	1.524	20	30		FDEDRO
CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1	ZINC000372289680	990998510	/nfs/dbraw/zinc/99/85/10/990998510.db2.gz	QMAVLYYBPHWRFB-DLBZAZTESA-N	1	0	359.426	1.929	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2[C@H](O)c2ccccc2)CC1	ZINC000875182331	991022449	/nfs/dbraw/zinc/02/24/49/991022449.db2.gz	KYQOMWZLQJUAAV-RBUKOAKNSA-N	1	0	371.481	1.478	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@]3(CC(C(=O)OC)=NO3)C2)CC1	ZINC000875247592	991189583	/nfs/dbraw/zinc/18/95/83/991189583.db2.gz	MXZUFHSYOAZRPQ-GOSISDBHSA-N	1	0	364.446	1.130	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)N2CCCN(c3ncccc3C#N)CC2)CC1	ZINC000372552082	991205735	/nfs/dbraw/zinc/20/57/35/991205735.db2.gz	HGOWTYZJQKWTBC-UHFFFAOYSA-N	1	0	370.501	1.020	20	30		FDEDRO
CC(C)(O)C[N@@H+]1CCCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000372559069	991213453	/nfs/dbraw/zinc/21/34/53/991213453.db2.gz	XQQLNFUIXOOEHH-IBGZPJMESA-N	1	0	370.497	1.832	20	30		FDEDRO
C=CCN(C(=O)C1=NN(C)C(=O)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000372602067	991257222	/nfs/dbraw/zinc/25/72/22/991257222.db2.gz	UETPHAKNHLHIEU-KRWDZBQOSA-N	1	0	354.454	1.884	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)c1	ZINC000372652332	991301045	/nfs/dbraw/zinc/30/10/45/991301045.db2.gz	IRBLGSHGJFELKX-ROUUACIJSA-N	1	0	355.438	1.054	20	30		FDEDRO
C=C(Cl)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1nnn(C(C)(C)C)n1)C2	ZINC001095460678	991318824	/nfs/dbraw/zinc/31/88/24/991318824.db2.gz	PTWHMDKRXGAGBU-AGIUHOORSA-N	1	0	352.870	1.445	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nn(C)cc2C#N)[C@H](c2cnn(C)c2)C1	ZINC000875397408	991467028	/nfs/dbraw/zinc/46/70/28/991467028.db2.gz	XKCPBYNSRAKZQX-HOTGVXAUSA-N	1	0	355.446	1.478	20	30		FDEDRO
CN1C(=O)C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)[C@@H]1c1ccc(F)cc1	ZINC000372799334	991541829	/nfs/dbraw/zinc/54/18/29/991541829.db2.gz	GRRPIUWVTVRBSL-SNRMKQJTSA-N	1	0	358.417	1.496	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C(=O)N2CCC(C#N)CC2)CC[N@@H+]1Cc1ccccc1	ZINC000410861506	991948381	/nfs/dbraw/zinc/94/83/81/991948381.db2.gz	ZFDMBPMAYQBILE-QGZVFWFLSA-N	1	0	368.481	1.872	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000875918856	992189648	/nfs/dbraw/zinc/18/96/48/992189648.db2.gz	XOIUSUCQVGGJCA-UYAOXDASSA-N	1	0	359.470	1.351	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1	ZINC000875919650	992191355	/nfs/dbraw/zinc/19/13/55/992191355.db2.gz	MXEIMLYIUDCCLW-WNRNVDISSA-N	1	0	351.491	1.698	20	30		FDEDRO
CCCN1C[C@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1=O	ZINC000411126504	992201510	/nfs/dbraw/zinc/20/15/10/992201510.db2.gz	OZPXOETYDPFBCK-GOSISDBHSA-N	1	0	354.454	1.461	20	30		FDEDRO
CC(C)C[C@@H](C(N)=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000411196998	992248912	/nfs/dbraw/zinc/24/89/12/992248912.db2.gz	FUIHSHDDDVLNML-SFHVURJKSA-N	1	0	356.470	1.740	20	30		FDEDRO
N#CC[C@@H](CC(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)c1ccccc1	ZINC000373508829	992258512	/nfs/dbraw/zinc/25/85/12/992258512.db2.gz	IZCTZQHPDKIVTL-IBGZPJMESA-N	1	0	371.481	1.760	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCC[C@H]([NH+]3CCOCC3)CC1)C2	ZINC000876278803	992518964	/nfs/dbraw/zinc/51/89/64/992518964.db2.gz	HYNFUWOFRIODIQ-PMACEKPBSA-N	1	0	368.481	1.922	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC[C@@](COC)(C(=O)OCC)C2)CC1	ZINC000373949150	992526564	/nfs/dbraw/zinc/52/65/64/992526564.db2.gz	FRHSIERQMAIHOU-LJQANCHMSA-N	1	0	367.490	1.638	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1	ZINC000411663031	992538547	/nfs/dbraw/zinc/53/85/47/992538547.db2.gz	CLYUTLWMAVETPA-OAHLLOKOSA-N	1	0	372.469	1.389	20	30		FDEDRO
CCOC(=O)Cc1csc(N(CC[NH+](C)C)C(=O)CC2(C#N)CC2)n1	ZINC000876317107	992543601	/nfs/dbraw/zinc/54/36/01/992543601.db2.gz	XFFOGYBBFLZPLM-UHFFFAOYSA-N	1	0	364.471	1.837	20	30		FDEDRO
N#Cc1ccc(C2(C(=O)N3CCC[C@@H](C(=O)NCC[NH3+])C3)CCCC2)cc1	ZINC000876517643	992680529	/nfs/dbraw/zinc/68/05/29/992680529.db2.gz	YKCBIURHFBFQDY-QGZVFWFLSA-N	1	0	368.481	1.684	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)C2CCC([NH3+])CC2)s1	ZINC000876540251	992692313	/nfs/dbraw/zinc/69/23/13/992692313.db2.gz	HBSRXTAXKDLNEJ-UHFFFAOYSA-N	1	0	371.528	1.483	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1	ZINC000876595198	992728521	/nfs/dbraw/zinc/72/85/21/992728521.db2.gz	YNFQBKUWJMFFDW-MJGOQNOKSA-N	1	0	366.465	1.510	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(C)c(OC)c2)CC1	ZINC000876607259	992738789	/nfs/dbraw/zinc/73/87/89/992738789.db2.gz	KKEZTRWVPBGALE-HNNXBMFYSA-N	1	0	365.861	1.758	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000876610404	992741396	/nfs/dbraw/zinc/74/13/96/992741396.db2.gz	ZDLYENFRZZSHQD-SMDDNHRTSA-N	1	0	359.879	1.584	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)C(=O)c2cnn(CC[NH+]3CCCCC3)c2)C1=O	ZINC000374263732	992744215	/nfs/dbraw/zinc/74/42/15/992744215.db2.gz	QMVLDCKEKMSZPM-QGZVFWFLSA-N	1	0	359.474	1.228	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1	ZINC000412008987	992767850	/nfs/dbraw/zinc/76/78/50/992767850.db2.gz	INMHISNZWQXWNI-IBGZPJMESA-N	1	0	359.470	1.869	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1	ZINC000876711324	992817568	/nfs/dbraw/zinc/81/75/68/992817568.db2.gz	WKMAQICRQFDRIO-OAHLLOKOSA-N	1	0	365.861	1.572	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(c2ccc(Br)cn2)CC1	ZINC000876720229	992831980	/nfs/dbraw/zinc/83/19/80/992831980.db2.gz	DZMMYOQPPSLKQJ-GFCCVEGCSA-N	1	0	373.682	1.963	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cccc(OCCN2CCOCC2)c1	ZINC000876738582	992856102	/nfs/dbraw/zinc/85/61/02/992856102.db2.gz	HMWSATKSCRYOLV-KRWDZBQOSA-N	1	0	367.877	1.484	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1	ZINC000876769767	992892663	/nfs/dbraw/zinc/89/26/63/992892663.db2.gz	ZOMHLQZRYPCOIM-CABCVRRESA-N	1	0	351.882	1.178	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@H](C)C(=O)NCC[NH+]1CCCCC1	ZINC000412320478	992907808	/nfs/dbraw/zinc/90/78/08/992907808.db2.gz	LPDFWBYZKZPFGI-OAHLLOKOSA-N	1	0	360.458	1.367	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCN(c2ncccc2F)CC1	ZINC000876940839	992975748	/nfs/dbraw/zinc/97/57/48/992975748.db2.gz	YWQXOALKCJTCLX-GOSISDBHSA-N	1	0	365.412	1.628	20	30		FDEDRO
CC(C)(C)N1C[C@@H](CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1=O	ZINC000876973654	992991518	/nfs/dbraw/zinc/99/15/18/992991518.db2.gz	MNHUKXGFNWZGEO-KDOFPFPSSA-N	1	0	354.454	1.508	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCc2nc(C3CC3)ncc2C1	ZINC000877034958	993023970	/nfs/dbraw/zinc/02/39/70/993023970.db2.gz	RSDUBQLPCDFJTL-LJQANCHMSA-N	1	0	359.433	1.997	20	30		FDEDRO
C#CCCCCCC[NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1	ZINC000877057984	993034694	/nfs/dbraw/zinc/03/46/94/993034694.db2.gz	BWKHSKKHOIBWSR-UHFFFAOYSA-N	1	0	352.504	1.747	20	30		FDEDRO
C=C(Cl)C[C@@H](NC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)C(=O)OCC	ZINC000877144535	993068686	/nfs/dbraw/zinc/06/86/86/993068686.db2.gz	PARQJDHCJIZPOE-CHWSQXEVSA-N	1	0	369.853	1.397	20	30		FDEDRO
Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccc(OCC#N)cc2)cn1	ZINC001137116480	993080377	/nfs/dbraw/zinc/08/03/77/993080377.db2.gz	GIELHTGCKDHRLL-MOPGFXCFSA-N	1	0	365.437	1.811	20	30		FDEDRO
Cc1cccc(C(=O)NC2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)c1	ZINC000877225492	993116954	/nfs/dbraw/zinc/11/69/54/993116954.db2.gz	HCXAGFCGFVWGLB-UHFFFAOYSA-N	1	0	353.466	1.719	20	30		FDEDRO
CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cc(C#N)cnc1Cl	ZINC000877518556	993316344	/nfs/dbraw/zinc/31/63/44/993316344.db2.gz	STRJUTBVTFUSIR-TZMCWYRMSA-N	1	0	356.879	1.804	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]1C[C@@]1(C)NC(=O)NC1=O	ZINC000877516917	993316560	/nfs/dbraw/zinc/31/65/60/993316560.db2.gz	GMAJCZAJTNZGBT-DNVCBOLYSA-N	1	0	355.442	1.577	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)CC1	ZINC000878224370	993805116	/nfs/dbraw/zinc/80/51/16/993805116.db2.gz	ZXVNZFIYJIECSW-CQSZACIVSA-N	1	0	364.490	1.984	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCC[C@H](C(N)=O)C1	ZINC000469318773	993826333	/nfs/dbraw/zinc/82/63/33/993826333.db2.gz	OVFQLXZKPOFDNZ-ROUUACIJSA-N	1	0	356.470	1.740	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1	ZINC000470810657	994133471	/nfs/dbraw/zinc/13/34/71/994133471.db2.gz	JRSPPRQIMLXDGG-IRXDYDNUSA-N	1	0	361.465	1.521	20	30		FDEDRO
C[NH+](C)CCn1ccc(NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)n1	ZINC000878808183	994246365	/nfs/dbraw/zinc/24/63/65/994246365.db2.gz	NHFWFVZTBOGQMQ-UHFFFAOYSA-N	1	0	367.457	1.670	20	30		FDEDRO
N#Cc1cccc(C[NH2+]C2CC3(CC(NC(=O)[C@H]4C[C@H]4C(N)=O)C3)C2)c1	ZINC000965121156	1015847497	/nfs/dbraw/zinc/84/74/97/1015847497.db2.gz	OXTUMAIPSMKMOR-MIKZSQDASA-N	1	0	352.438	1.197	20	30		FDEDRO
N#Cc1ccc(C2CC[NH+]([C@H]3CCN(C4CCOCC4)C3=O)CC2)nc1	ZINC000879026659	994455570	/nfs/dbraw/zinc/45/55/70/994455570.db2.gz	KSLHXLBKNBSXQH-IBGZPJMESA-N	1	0	354.454	1.913	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+][C@H](C)c1nnc(C)[nH]1)C2	ZINC000965159934	1015864438	/nfs/dbraw/zinc/86/44/38/1015864438.db2.gz	HZRCYAJHJOHCCF-NSMDTSCPSA-N	1	0	359.474	1.782	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[N@H+]2CCc3c(CC(N)=O)cccc3C2)cc1	ZINC000879231981	994677010	/nfs/dbraw/zinc/67/70/10/994677010.db2.gz	ZZLFXLWRZLCHAT-UHFFFAOYSA-N	1	0	362.433	1.973	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@H+]2CCc3c(CC(N)=O)cccc3C2)CCOCC1	ZINC000879233566	994678922	/nfs/dbraw/zinc/67/89/22/994678922.db2.gz	CUQACPMLWLCMFH-QGZVFWFLSA-N	1	0	357.454	1.144	20	30		FDEDRO
CO[C@H]1CC[C@H](C)[N@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1	ZINC000879322718	994773608	/nfs/dbraw/zinc/77/36/08/994773608.db2.gz	VJBRFGCNTDJJAO-ZFWWWQNUSA-N	1	0	361.446	1.003	20	30		FDEDRO
C[N@H+](CCc1cccc(C#N)c1)[C@H]1CCN(CC(=O)OC(C)(C)C)C1=O	ZINC000879432482	994909598	/nfs/dbraw/zinc/90/95/98/994909598.db2.gz	LMZYRQUIAQUTGJ-KRWDZBQOSA-N	1	0	357.454	1.975	20	30		FDEDRO
COc1cccc([C@@H]2CN(CC(=O)N(CCC#N)CCC#N)CC[NH2+]2)c1	ZINC000879526129	994978101	/nfs/dbraw/zinc/97/81/01/994978101.db2.gz	UZSAKSYYMBOJKM-SFHVURJKSA-N	1	0	355.442	1.297	20	30		FDEDRO
C#CCNC(=O)CC[NH+]1CCC(c2nc(C)c(C(=O)OCC)s2)CC1	ZINC000879679073	995166604	/nfs/dbraw/zinc/16/66/04/995166604.db2.gz	ZYIJYPBJWRDZQC-UHFFFAOYSA-N	1	0	363.483	1.947	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(N3C(=O)[C@@H]4CSCN4C3=O)CC2)c1	ZINC000924970214	995198031	/nfs/dbraw/zinc/19/80/31/995198031.db2.gz	PKDVJXLNVOALET-INIZCTEOSA-N	1	0	356.451	1.860	20	30		FDEDRO
C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@@H](O)CN(C)C	ZINC000924995691	995221927	/nfs/dbraw/zinc/22/19/27/995221927.db2.gz	XXKJTSZDWABOGO-JKSUJKDBSA-N	1	0	368.522	1.818	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+]C2([C@H]3CCCCO3)CCC2)CC1	ZINC000879734306	995236745	/nfs/dbraw/zinc/23/67/45/995236745.db2.gz	ISUQIATXYPXTFD-ZWKOTPCHSA-N	1	0	362.518	1.760	20	30		FDEDRO
COC(=O)/C(C)=C\CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000925034702	995251810	/nfs/dbraw/zinc/25/18/10/995251810.db2.gz	FUCSSSXRHVQNJJ-PXNMLYILSA-N	1	0	370.453	1.895	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCc2c(nnn2C)C1)C(C)C	ZINC000654379724	1015953471	/nfs/dbraw/zinc/95/34/71/1015953471.db2.gz	JTSRIEQIQSPGAF-CRAIPNDOSA-N	1	0	360.506	1.670	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](N3C[C@@H]4CCC[N@H+]4C[C@@H]3CO)C2=O)cc1	ZINC000880072284	995609630	/nfs/dbraw/zinc/60/96/30/995609630.db2.gz	ZMUHYSZADZWEOJ-OTWHNJEPSA-N	1	0	354.454	1.195	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1	ZINC000925961421	995858493	/nfs/dbraw/zinc/85/84/93/995858493.db2.gz	UDQLKTYHRVURNU-KRWDZBQOSA-N	1	0	372.469	1.883	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2	ZINC000925980299	995874140	/nfs/dbraw/zinc/87/41/40/995874140.db2.gz	ZMGVSYFBNVAVFT-XBRFFFJOSA-N	1	0	353.463	1.197	20	30		FDEDRO
COc1cc(C(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)ccc1C#N	ZINC000926145542	995936499	/nfs/dbraw/zinc/93/64/99/995936499.db2.gz	XIYCMRLFYSOVRV-HBXLWWENSA-N	1	0	357.454	1.776	20	30		FDEDRO
COc1cc(C(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)ccc1C#N	ZINC000926145530	995936815	/nfs/dbraw/zinc/93/68/15/995936815.db2.gz	XIYCMRLFYSOVRV-CIWUYKSXSA-N	1	0	357.454	1.776	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)C#Cc1ccc3c(c1)OCO3)C2	ZINC000926168227	995954418	/nfs/dbraw/zinc/95/44/18/995954418.db2.gz	FLAJJOPZBYKMHT-NBJYBMASSA-N	1	0	370.449	1.363	20	30		FDEDRO
CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3cnn(CCC#N)c3C)C2)[C@H]1C(C)C	ZINC000926252246	995998629	/nfs/dbraw/zinc/99/86/29/995998629.db2.gz	CFZCRBXZYQGLOI-SOAMZJECSA-N	1	0	373.501	1.705	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@]3(C[N@@H+](CC)[C@@H]3C(C)C)C[C@H]2O)CC1	ZINC000926255536	996000883	/nfs/dbraw/zinc/00/08/83/996000883.db2.gz	RRSSFIBBRAWHAZ-ANTGDGSKSA-N	1	0	361.530	1.318	20	30		FDEDRO
Cc1ccc(CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)cc1C#N	ZINC000926867214	996349663	/nfs/dbraw/zinc/34/96/63/996349663.db2.gz	BNRYDJRNFWURLQ-UHFFFAOYSA-N	1	0	371.485	1.658	20	30		FDEDRO
CCN(C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@H]1CC[NH2+]C1	ZINC000887000655	996815510	/nfs/dbraw/zinc/81/55/10/996815510.db2.gz	IZBIZJISYSTIDR-LBPRGKRZSA-N	1	0	354.332	1.726	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)c(F)c1	ZINC000887040362	996860834	/nfs/dbraw/zinc/86/08/34/996860834.db2.gz	AVOTWTQVSGDSEY-LJQANCHMSA-N	1	0	361.392	1.877	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)NCC(=O)Nc2cc(C)ccc2OC)CCOCC1	ZINC000887123361	996954164	/nfs/dbraw/zinc/95/41/64/996954164.db2.gz	LLVMTAVJGXSAKT-UHFFFAOYSA-N	1	0	373.453	1.220	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N2CCN(c3ccc(F)cc3)CC2)CCOCC1	ZINC000887123289	996954348	/nfs/dbraw/zinc/95/43/48/996954348.db2.gz	IGUZVKYEUUDJKG-UHFFFAOYSA-N	1	0	359.445	1.636	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H](N2CCC[C@@H](c3ccnc(N)n3)C2)C1=O	ZINC000334018693	997310931	/nfs/dbraw/zinc/31/09/31/997310931.db2.gz	CARCKGZGTNYMKL-HIFRSBDPSA-N	1	0	368.466	1.977	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C3CC3)c(C#N)c2)C[C@H](C)N1CCO	ZINC000890312087	997383929	/nfs/dbraw/zinc/38/39/29/997383929.db2.gz	OGQJHSJHSVQLDE-OKILXGFUSA-N	1	0	370.453	1.288	20	30		FDEDRO
COc1ccc(OC)c([C@H](O)CNC(=[NH2+])NCc2ccccc2OC)c1	ZINC000264063390	997393295	/nfs/dbraw/zinc/39/32/95/997393295.db2.gz	ACGMYXXSSILDCM-MRXNPFEDSA-N	1	0	359.426	1.850	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NC[C@H](O)COc2cccc(C)c2)cc1OC	ZINC000264071958	997395970	/nfs/dbraw/zinc/39/59/70/997395970.db2.gz	DONKHIJPJGVKAX-INIZCTEOSA-N	1	0	373.453	1.856	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NC[C@@H](O)c2ccccc2OC)cc1OC	ZINC000264090149	997401711	/nfs/dbraw/zinc/40/17/11/997401711.db2.gz	KVBGMUYXZCYZAD-MRXNPFEDSA-N	1	0	373.453	1.893	20	30		FDEDRO
COc1ccccc1CNC(=[NH2+])NCc1ccc(OCCO)c(OC)c1	ZINC000264111778	997403878	/nfs/dbraw/zinc/40/38/78/997403878.db2.gz	RBUHEFWYUXMHPE-UHFFFAOYSA-N	1	0	359.426	1.679	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccnc(N3CCCC3)c2)CC1	ZINC000264116822	997405283	/nfs/dbraw/zinc/40/52/83/997405283.db2.gz	QBUKCPCCOYYLMO-UHFFFAOYSA-N	1	0	374.489	1.707	20	30		FDEDRO
C=CCNC(=[NH2+])NCCCCCC(=O)N1CCN(C(=O)CC(C)C)CC1	ZINC000264246616	997437933	/nfs/dbraw/zinc/43/79/33/997437933.db2.gz	GDOHJAHHNFQZFS-UHFFFAOYSA-N	1	0	365.522	1.354	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)COc2cccc(N3CCCC3=O)c2)CC1	ZINC000264451523	997515999	/nfs/dbraw/zinc/51/59/99/997515999.db2.gz	CWZKRALWWSZGQY-UHFFFAOYSA-N	1	0	357.454	1.959	20	30		FDEDRO
CC[NH+](CC)Cc1ccc(C(=O)NCCNC(=O)C2N=CC=CC2=O)cc1	ZINC000264617080	997555749	/nfs/dbraw/zinc/55/57/49/997555749.db2.gz	AXEUEZSOSGDTMG-ZZEZOPTASA-N	1	0	370.453	1.785	20	30		FDEDRO
C#CCC1(NC(=O)NC[C@H](C(CC)CC)[NH+]2CCOCC2)CCOCC1	ZINC000887666326	997619162	/nfs/dbraw/zinc/61/91/62/997619162.db2.gz	NHUJDIPYYQJGMC-GOSISDBHSA-N	1	0	365.518	1.995	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1ccc(N2CCCCC2)nc1	ZINC000264996760	997669372	/nfs/dbraw/zinc/66/93/72/997669372.db2.gz	SYYXTBBRSPRUIC-UHFFFAOYSA-N	1	0	360.506	1.069	20	30		FDEDRO
C#CCC1(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)CCOCC1	ZINC000887834850	997873292	/nfs/dbraw/zinc/87/32/92/997873292.db2.gz	QPAHXPLBXBBDFK-UHFFFAOYSA-N	1	0	356.470	1.918	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2cccc(CN3CCOCC3)n2)CC1	ZINC000889283878	998273516	/nfs/dbraw/zinc/27/35/16/998273516.db2.gz	XJNTULAQSIVIMF-UHFFFAOYSA-N	1	0	359.474	1.686	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(CC#N)n1	ZINC000889834673	998697010	/nfs/dbraw/zinc/69/70/10/998697010.db2.gz	RJCOPNYJFNAKFH-UHFFFAOYSA-N	1	0	365.437	1.677	20	30		FDEDRO
C[C@H]1CCC[C@@](CNC(=O)C(=O)Nc2cccc(CC#N)n2)([NH+](C)C)C1	ZINC000889860499	998709631	/nfs/dbraw/zinc/70/96/31/998709631.db2.gz	PGJJJHWMPABFEX-IFXJQAMLSA-N	1	0	357.458	1.713	20	30		FDEDRO
C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2cccc(CC#N)n2)C1	ZINC000889867305	998713230	/nfs/dbraw/zinc/71/32/30/998713230.db2.gz	PGWQTWYQHUWVJO-CQSZACIVSA-N	1	0	357.458	1.713	20	30		FDEDRO
CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2cccc(CC#N)n2)c1	ZINC000889944125	998739235	/nfs/dbraw/zinc/73/92/35/998739235.db2.gz	HNAKBLGZJCRZBD-UHFFFAOYSA-N	1	0	365.437	1.854	20	30		FDEDRO
C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000890232824	998875870	/nfs/dbraw/zinc/87/58/70/998875870.db2.gz	XPGPNSXAGMWOBK-CRAIPNDOSA-N	1	0	354.454	1.390	20	30		FDEDRO
C=CCCCNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000890238406	998876922	/nfs/dbraw/zinc/87/69/22/998876922.db2.gz	GIQNOISTXDAXHP-SFHVURJKSA-N	1	0	356.470	1.992	20	30		FDEDRO
CN(C(=O)Cc1ccccc1CC#N)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000777399352	999061027	/nfs/dbraw/zinc/06/10/27/999061027.db2.gz	NOHBJLMWBLXKTC-HXUWFJFHSA-N	1	0	354.498	1.922	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccnn1C	ZINC001110863755	999072766	/nfs/dbraw/zinc/07/27/66/999072766.db2.gz	VKOYTJWDWIPGAM-XSYGEPLQSA-N	1	0	360.502	1.913	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)N(CCOC)Cc1ccc(C#N)cc1	ZINC000266515536	999178001	/nfs/dbraw/zinc/17/80/01/999178001.db2.gz	MWLOVQAOQUYFRI-UHFFFAOYSA-N	1	0	362.474	1.685	20	30		FDEDRO
O=C(NCCNC(=O)C1N=CC=CC1=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1	ZINC000267285777	999303307	/nfs/dbraw/zinc/30/33/07/999303307.db2.gz	XEVNLEVYXIYRPE-RMYFCYLKSA-N	1	0	360.458	1.284	20	30		FDEDRO
COc1cccc([C@H](O)CNC(=[NH2+])NCCc2ccc(OC)c(OC)c2)c1	ZINC000267427040	999332545	/nfs/dbraw/zinc/33/25/45/999332545.db2.gz	LSTLUHCXWYUWCU-QGZVFWFLSA-N	1	0	373.453	1.893	20	30		FDEDRO
N#CCC[C@H](NC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccccc1	ZINC000269641286	999470775	/nfs/dbraw/zinc/47/07/75/999470775.db2.gz	XLXBQIBKMRGGJN-DLBZAZTESA-N	1	0	357.458	1.670	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nc3c(cc2C#N)CCCC3)CC1	ZINC000270889750	999629449	/nfs/dbraw/zinc/62/94/49/999629449.db2.gz	GHBDTNTZNGNXCI-GOSISDBHSA-N	1	0	353.470	1.575	20	30		FDEDRO
C[N@@H+]1CCCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1	ZINC000271146860	999667955	/nfs/dbraw/zinc/66/79/55/999667955.db2.gz	RXYPHKCJCNPYJV-UHFFFAOYSA-N	1	0	357.458	1.990	20	30		FDEDRO
CC[NH+]1CCC(CCNC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)CC1	ZINC000271178144	999671177	/nfs/dbraw/zinc/67/11/77/999671177.db2.gz	VFYAZFGSTVBSEG-UHFFFAOYSA-N	1	0	360.462	1.282	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000271578024	999713893	/nfs/dbraw/zinc/71/38/93/999713893.db2.gz	QZRVKQAJYMZDRK-AWEZNQCLSA-N	1	0	374.489	1.829	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)NCc1ccc(OCC(N)=O)cc1)c1ccc(C#N)cc1	ZINC000271673448	999723883	/nfs/dbraw/zinc/72/38/83/999723883.db2.gz	NXXOXZSVIKLIBB-CQSZACIVSA-N	1	0	366.421	1.389	20	30		FDEDRO
CCCN(CC[NH+](CC)CC)C(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC000274173962	999736513	/nfs/dbraw/zinc/73/65/13/999736513.db2.gz	XBRXHTYPLWVNIJ-MSUUIHNZSA-N	1	0	365.478	1.276	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCCN(C)c2ccccc2)CC1	ZINC000283572076	999757138	/nfs/dbraw/zinc/75/71/38/999757138.db2.gz	UILPWIZTKGKLOF-UHFFFAOYSA-N	1	0	372.513	1.786	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(C#N)cc1	ZINC000283977806	999763544	/nfs/dbraw/zinc/76/35/44/999763544.db2.gz	LVUJMKQFTQCFFZ-BZUAXINKSA-N	1	0	372.469	1.351	20	30		FDEDRO
C=CCc1cc(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)cc(OC)c1OC	ZINC000283997016	999766304	/nfs/dbraw/zinc/76/63/04/999766304.db2.gz	IDDWIPDOEZSGFJ-DLBZAZTESA-N	1	0	360.454	1.977	20	30		FDEDRO
C[N@H+](CCNC(=O)C(=O)NCc1cccc(C#N)c1)Cc1ccccc1	ZINC000284031183	999774378	/nfs/dbraw/zinc/77/43/78/999774378.db2.gz	OWFCFWAOXCNPAF-UHFFFAOYSA-N	1	0	350.422	1.423	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C	ZINC000284365362	999816961	/nfs/dbraw/zinc/81/69/61/999816961.db2.gz	LKKYMCKRIUYKIC-MRXNPFEDSA-N	1	0	370.478	1.997	20	30		FDEDRO
C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@@H+]1[C@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000284736869	999869023	/nfs/dbraw/zinc/86/90/23/999869023.db2.gz	IPOVJVMXGJVSSZ-JKBKZWBZSA-N	1	0	369.465	1.915	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCC[N@@H+](C)[C@H](C)CC	ZINC000285903274	999924291	/nfs/dbraw/zinc/92/42/91/999924291.db2.gz	HQKYZRAQBAABSB-MRXNPFEDSA-N	1	0	356.470	1.919	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000286106518	999939231	/nfs/dbraw/zinc/93/92/31/999939231.db2.gz	UFJHOEGNAZIPON-AZUAARDMSA-N	1	0	356.514	1.569	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)N2CCc3ccccc32)CC1	ZINC000286158567	999942642	/nfs/dbraw/zinc/94/26/42/999942642.db2.gz	QGRRKMFJBLCYRX-INIZCTEOSA-N	1	0	370.497	1.320	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN(Cc3ccco3)CC2)CC1	ZINC000286473225	999944711	/nfs/dbraw/zinc/94/47/11/999944711.db2.gz	ITJMLQBHWUHAQM-UHFFFAOYSA-N	1	0	374.485	1.081	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)CC1	ZINC000286698235	999946279	/nfs/dbraw/zinc/94/62/79/999946279.db2.gz	PTHAKDAADXZLGF-DOTOQJQBSA-N	1	0	359.474	1.059	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)C(=O)NCCCCC#N)CC[N@@H+]1Cc1ccccc1	ZINC000286751088	999948780	/nfs/dbraw/zinc/94/87/80/999948780.db2.gz	ROLFYXRCMUREMB-WMZOPIPTSA-N	1	0	356.470	1.966	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)[C@@H]1CCC[C@H]1O	ZINC000286746745	999948806	/nfs/dbraw/zinc/94/88/06/999948806.db2.gz	YMNGKZMGTVCVIH-CEXWTWQISA-N	1	0	374.460	1.380	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1	ZINC000286818350	999951081	/nfs/dbraw/zinc/95/10/81/999951081.db2.gz	XYTXUSITHIJNEP-UHFFFAOYSA-N	1	0	359.470	1.486	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C	ZINC000287659861	999959108	/nfs/dbraw/zinc/95/91/08/999959108.db2.gz	BJHGYQVIHCFGBK-HOCLYGCPSA-N	1	0	373.428	1.861	20	30		FDEDRO
C[NH+]1CCC(Oc2ccc(CNC(=O)N3CCO[C@H](C#N)C3)cc2)CC1	ZINC000287725101	999959328	/nfs/dbraw/zinc/95/93/28/999959328.db2.gz	HASUAWPQZYRZKA-GOSISDBHSA-N	1	0	358.442	1.594	20	30		FDEDRO
C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000288031628	999984430	/nfs/dbraw/zinc/98/44/30/999984430.db2.gz	IHBAERUXCWUSLS-UKRRQHHQSA-N	1	0	372.473	1.533	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1	ZINC000288193801	999995664	/nfs/dbraw/zinc/99/56/64/999995664.db2.gz	SANHCENOHDHFFP-GOSISDBHSA-N	1	0	359.470	1.294	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1	ZINC000288199852	999996229	/nfs/dbraw/zinc/99/62/29/999996229.db2.gz	PJPQCXOMKNMXHY-MAUKXSAKSA-N	1	0	355.438	1.722	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c(F)c1	ZINC000288908956	1000058319	/nfs/dbraw/zinc/05/83/19/1000058319.db2.gz	HJGDZKOJCVTRFV-JSGCOSHPSA-N	1	0	361.392	1.970	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@]2(COC)OCCc3ccccc32)CC1	ZINC000291099361	1000169553	/nfs/dbraw/zinc/16/95/53/1000169553.db2.gz	BGWINZAISLGZKK-NRFANRHFSA-N	1	0	356.466	1.562	20	30		FDEDRO
CC[N@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)[C@H](C)CO	ZINC000292037265	1000205449	/nfs/dbraw/zinc/20/54/49/1000205449.db2.gz	ADWSJZNGSCXRMJ-QAPCUYQASA-N	1	0	362.449	1.237	20	30		FDEDRO
Cc1cc(Cn2nnc(C(=O)N(CCC#N)CCC[NH+](C)C)c2C)on1	ZINC000292146486	1000214220	/nfs/dbraw/zinc/21/42/20/1000214220.db2.gz	DJOLYECEZYQWSN-UHFFFAOYSA-N	1	0	359.434	1.239	20	30		FDEDRO
COc1ccc(CNC(=O)CN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000292180510	1000218117	/nfs/dbraw/zinc/21/81/17/1000218117.db2.gz	MLCORJIEHXLRSX-SFHVURJKSA-N	1	0	366.421	1.731	20	30		FDEDRO
CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000292177085	1000218395	/nfs/dbraw/zinc/21/83/95/1000218395.db2.gz	AJKQTAXVOUUJKK-CRAIPNDOSA-N	1	0	371.485	1.687	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)ccc1F	ZINC000927849267	1001115633	/nfs/dbraw/zinc/11/56/33/1001115633.db2.gz	PQBYXPFFKYUNCO-PWSUYJOCSA-N	1	0	358.295	1.374	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2	ZINC000927870371	1001157636	/nfs/dbraw/zinc/15/76/36/1001157636.db2.gz	SNUNCKOGQNADKI-VQIMIIECSA-N	1	0	359.401	1.425	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3cnn(C)c3C1)C2	ZINC001110945690	1001503670	/nfs/dbraw/zinc/50/36/70/1001503670.db2.gz	YPOCGMYJOYRNDZ-DDBAPUKQSA-N	1	0	358.486	1.449	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CCC(=O)N2Cc2ccc(C)cc2)CC1	ZINC000928656044	1001611838	/nfs/dbraw/zinc/61/18/38/1001611838.db2.gz	IXTCZFRZYLXIFW-IBGZPJMESA-N	1	0	353.466	1.700	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)CC1	ZINC000928660973	1001615732	/nfs/dbraw/zinc/61/57/32/1001615732.db2.gz	VWRISDDIIGSOAY-LJQANCHMSA-N	1	0	365.474	1.226	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCCCOC1CCCCC1)C1CC[NH+](C)CC1	ZINC000929250210	1001859934	/nfs/dbraw/zinc/85/99/34/1001859934.db2.gz	ZFPALMUYNKFWFP-UHFFFAOYSA-N	1	0	363.502	1.398	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCCCCc1ccccc1)C1CC[NH+](C)CC1	ZINC000929268526	1001882358	/nfs/dbraw/zinc/88/23/58/1001882358.db2.gz	GMKPIBYNKBJHMU-UHFFFAOYSA-N	1	0	355.482	1.682	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1ccc(OCCC)cc1)C1CC[NH+](C)CC1	ZINC000929362855	1001970314	/nfs/dbraw/zinc/97/03/14/1001970314.db2.gz	LIOPUGKCVUUNCE-UHFFFAOYSA-N	1	0	371.481	1.648	20	30		FDEDRO
C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000075674194	1002000733	/nfs/dbraw/zinc/00/07/33/1002000733.db2.gz	CMASZLSMBJSFRB-INIZCTEOSA-N	1	0	361.358	1.749	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)cc1	ZINC000929489432	1002115417	/nfs/dbraw/zinc/11/54/17/1002115417.db2.gz	RZQZLZZPGHNEPD-IBGZPJMESA-N	1	0	369.465	1.710	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)C1	ZINC000948458573	1002363075	/nfs/dbraw/zinc/36/30/75/1002363075.db2.gz	XXAHAIJFBKXOGP-IIDMSEBBSA-N	1	0	371.485	1.441	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)C1	ZINC000948579691	1002466655	/nfs/dbraw/zinc/46/66/55/1002466655.db2.gz	BOPGMZKNAVUMKW-RVKKMQEKSA-N	1	0	371.485	1.441	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1	ZINC000948582349	1002473368	/nfs/dbraw/zinc/47/33/68/1002473368.db2.gz	YMWYHJLYQIINSA-XWIAVFTESA-N	1	0	369.469	1.337	20	30		FDEDRO
COC(=O)[C@@H]1CCCC[C@H]1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000929825121	1002495705	/nfs/dbraw/zinc/49/57/05/1002495705.db2.gz	NEBHIGHMRSNMMQ-HRCADAONSA-N	1	0	357.458	1.838	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)[C@@H](O)C1	ZINC000965977450	1016644721	/nfs/dbraw/zinc/64/47/21/1016644721.db2.gz	AWFOSYOGCWHWBT-KFWWJZLASA-N	1	0	371.909	1.327	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cccc(C#N)c1	ZINC000929954099	1002643033	/nfs/dbraw/zinc/64/30/33/1002643033.db2.gz	WCCLQCQRXJBJRM-RDTXWAMCSA-N	1	0	370.453	1.105	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)[C@@H](O)C1	ZINC000965982325	1016650718	/nfs/dbraw/zinc/65/07/18/1016650718.db2.gz	DTZVRYQUJZNRSZ-PMPSAXMXSA-N	1	0	351.491	1.151	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CCN2CCCC2=O)CC1	ZINC000948785420	1002689611	/nfs/dbraw/zinc/68/96/11/1002689611.db2.gz	JEDLQXVFEATBKA-KURKYZTESA-N	1	0	363.502	1.513	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H](CCC)c1ccccn1)C1CC[NH+](C)CC1	ZINC000929988396	1002704600	/nfs/dbraw/zinc/70/46/00/1002704600.db2.gz	NLNFEJZGWUXGFP-SFHVURJKSA-N	1	0	356.470	1.595	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCC[C@H]2CCC(C)(C)CO2)CC1	ZINC000930007680	1002730840	/nfs/dbraw/zinc/73/08/40/1002730840.db2.gz	VUGXSCOVTFRYOH-MRXNPFEDSA-N	1	0	351.491	1.465	20	30		FDEDRO
C#CCN(C(=O)C(=O)NC1CC(C)(c2ccccc2)C1)C1CC[NH+](C)CC1	ZINC000930020116	1002741345	/nfs/dbraw/zinc/74/13/45/1002741345.db2.gz	PVNZFWDCMBGVTB-UHFFFAOYSA-N	1	0	367.493	1.779	20	30		FDEDRO
C#CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C	ZINC000948958416	1002875096	/nfs/dbraw/zinc/87/50/96/1002875096.db2.gz	MJPDRULRXXHRPQ-IPMKNSEASA-N	1	0	353.466	1.450	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)c3cccc(C[NH+](C)C)c3)[C@@H](O)C2)C1	ZINC000966001813	1016690954	/nfs/dbraw/zinc/69/09/54/1016690954.db2.gz	JGAHBIUDWMFFBN-MSOLQXFVSA-N	1	0	371.481	1.406	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)Nc2ccc(OCCC(=O)NC)cc2)C1	ZINC000930237879	1002956808	/nfs/dbraw/zinc/95/68/08/1002956808.db2.gz	YCIZXKMXJUOTJQ-INIZCTEOSA-N	1	0	358.442	1.421	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)cc1	ZINC000949140837	1003031833	/nfs/dbraw/zinc/03/18/33/1003031833.db2.gz	SYEFAKSGJANPDH-ATZDWAIDSA-N	1	0	369.465	1.370	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO	ZINC000930390321	1003081816	/nfs/dbraw/zinc/08/18/16/1003081816.db2.gz	HLAAZDOPDXQPTR-JKSUJKDBSA-N	1	0	362.405	1.791	20	30		FDEDRO
N#Cc1ccc(OC2CC[NH+](C[C@@H](O)C[C@]3(O)CCOC3)CC2)c(F)c1	ZINC000930464036	1003165264	/nfs/dbraw/zinc/16/52/64/1003165264.db2.gz	GARRTQXWOFXPFQ-HNAYVOBHSA-N	1	0	364.417	1.443	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(CC1)C[N@H+](CCCO)CCO2	ZINC000949489803	1003392406	/nfs/dbraw/zinc/39/24/06/1003392406.db2.gz	RASXTELJWVAVSM-ROUUACIJSA-N	1	0	366.502	1.434	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C	ZINC000930745012	1003466898	/nfs/dbraw/zinc/46/68/98/1003466898.db2.gz	VLWFBIOFMAMDBR-OAHLLOKOSA-N	1	0	362.499	1.815	20	30		FDEDRO
COc1cc(C#N)ccc1C(=O)NCc1cccnc1N1CC[NH+](C)CC1	ZINC000930798675	1003516778	/nfs/dbraw/zinc/51/67/78/1003516778.db2.gz	KVSGFCQQLODEDM-UHFFFAOYSA-N	1	0	365.437	1.644	20	30		FDEDRO
CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C1	ZINC000930823879	1003550898	/nfs/dbraw/zinc/55/08/98/1003550898.db2.gz	XLSRQCLOAQJRAW-RKDXNWHRSA-N	1	0	372.256	1.935	20	30		FDEDRO
COc1cccc(Cn2nccc2NC(=O)NCC#CC[NH+](C)C)c1OC	ZINC000930949139	1003698296	/nfs/dbraw/zinc/69/82/96/1003698296.db2.gz	ZIBQINRFCMMVPA-UHFFFAOYSA-N	1	0	371.441	1.635	20	30		FDEDRO
CCc1cc(CC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)n(C)n1	ZINC000930980539	1003737937	/nfs/dbraw/zinc/73/79/37/1003737937.db2.gz	YIPYPYBONRNQHL-UHFFFAOYSA-N	1	0	353.470	1.987	20	30		FDEDRO
C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)Cc1cc(C#N)cs1	ZINC000931004987	1003763821	/nfs/dbraw/zinc/76/38/21/1003763821.db2.gz	QDMZEBMJRCDLLL-CQSZACIVSA-N	1	0	362.499	1.815	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](c2n[nH]cc2C(=O)OCC)C1	ZINC000931008647	1003767354	/nfs/dbraw/zinc/76/73/54/1003767354.db2.gz	VMQLZYCVBPEIJM-LSDHHAIUSA-N	1	0	360.458	1.965	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)c1	ZINC000931034226	1003796737	/nfs/dbraw/zinc/79/67/37/1003796737.db2.gz	QTQMBRLYHZFCGN-UHFFFAOYSA-N	1	0	372.444	1.552	20	30		FDEDRO
C#CC1(O)CC[NH+](C[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)CC1	ZINC000931151887	1003926320	/nfs/dbraw/zinc/92/63/20/1003926320.db2.gz	YVZFUJXJGZKBJS-OAHLLOKOSA-N	1	0	350.459	1.615	20	30		FDEDRO
Cc1ccc(C#N)c(NC2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCOCC2)n1	ZINC001111005693	1003938285	/nfs/dbraw/zinc/93/82/85/1003938285.db2.gz	HBSGAKAOYDLFDI-NVXWUHKLSA-N	1	0	371.485	1.679	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1	ZINC000931428122	1004148105	/nfs/dbraw/zinc/14/81/05/1004148105.db2.gz	WUKHHDQMAJJNHN-UHFFFAOYSA-N	1	0	360.433	1.457	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc3c1ncn3C)C2	ZINC001111012267	1004193957	/nfs/dbraw/zinc/19/39/57/1004193957.db2.gz	KMNHVNCUUSGGEJ-BMFZPTHFSA-N	1	0	355.442	1.506	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](N3CC[NH+](CCCCCO)CC3)C2=O)cc1	ZINC000931496082	1004214836	/nfs/dbraw/zinc/21/48/36/1004214836.db2.gz	JJGLDMOBROUBLC-HXUWFJFHSA-N	1	0	370.497	1.834	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2c(Br)c(C)nn2C)CC1	ZINC000931577594	1004279743	/nfs/dbraw/zinc/27/97/43/1004279743.db2.gz	UYOXOTYMRLIVLR-UHFFFAOYSA-N	1	0	354.252	1.710	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1	ZINC000931592526	1004296146	/nfs/dbraw/zinc/29/61/46/1004296146.db2.gz	MVCMMSVKOVCKGN-UHFFFAOYSA-N	1	0	367.384	1.057	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2cc(C#N)ccc2F)[C@H](C)C1	ZINC000931595742	1004299666	/nfs/dbraw/zinc/29/96/66/1004299666.db2.gz	MMZLELZPKCDAAM-DYVFJYSZSA-N	1	0	360.433	1.502	20	30		FDEDRO
C#CC[N@H+](C[C@@H](O)C1(O)CCC1)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000931740385	1004461883	/nfs/dbraw/zinc/46/18/83/1004461883.db2.gz	BFRRFCCSJHAFHA-MRXNPFEDSA-N	1	0	352.475	1.597	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)Nc1ccc([C@]2(C)NC(=O)N(C)C2=O)cc1	ZINC000931856235	1004544386	/nfs/dbraw/zinc/54/43/86/1004544386.db2.gz	ABVPWWCQUYFGAR-IBGZPJMESA-N	1	0	371.441	1.160	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCC(=O)N(c3cnn(C)c3)C2)CC1	ZINC000932142923	1004791769	/nfs/dbraw/zinc/79/17/69/1004791769.db2.gz	JJBTVLHAQPQEQE-HNNXBMFYSA-N	1	0	359.474	1.320	20	30		FDEDRO
C#CCNC(=O)C[NH+]1CCC(c2c[nH]c3ccc(C(=O)OC)cc32)CC1	ZINC000932419732	1004949993	/nfs/dbraw/zinc/94/99/93/1004949993.db2.gz	NAJCWCFHNMLPGL-UHFFFAOYSA-N	1	0	353.422	1.883	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)cc1C#N	ZINC000932479169	1004981171	/nfs/dbraw/zinc/98/11/71/1004981171.db2.gz	VRCKDCPUSXDXGP-UHFFFAOYSA-N	1	0	354.454	1.570	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(CO)(C(F)(F)F)CC2)cc1	ZINC000932822079	1005198503	/nfs/dbraw/zinc/19/85/03/1005198503.db2.gz	MZVOEMOHQDUONA-CQSZACIVSA-N	1	0	358.360	1.935	20	30		FDEDRO
N#CC[C@@H](NC(=O)NCCN1CCN(c2ccccc2)CC1)C(F)(F)F	ZINC000932924906	1005247478	/nfs/dbraw/zinc/24/74/78/1005247478.db2.gz	IQLHIXYADRCHRQ-OAHLLOKOSA-N	1	0	369.391	1.952	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1	ZINC000932952993	1005272337	/nfs/dbraw/zinc/27/23/37/1005272337.db2.gz	PQYBHPXQWLPJBU-LJQANCHMSA-N	1	0	371.481	1.571	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CCCCC1	ZINC000933269776	1005528144	/nfs/dbraw/zinc/52/81/44/1005528144.db2.gz	UAQKOBTWYCAURB-UHFFFAOYSA-N	1	0	371.547	1.479	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1	ZINC000933299845	1005535389	/nfs/dbraw/zinc/53/53/89/1005535389.db2.gz	LTVUAZXNZJINOK-UHFFFAOYSA-N	1	0	356.426	1.779	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCC1	ZINC000933298624	1005535397	/nfs/dbraw/zinc/53/53/97/1005535397.db2.gz	HWLCQRXQEBYZRA-INIZCTEOSA-N	1	0	356.495	1.993	20	30		FDEDRO
C#CCC1([NH2+]CC2=C(C(=O)OCC)[C@H](c3ccco3)NC(=O)N2)CCC1	ZINC000933298715	1005535402	/nfs/dbraw/zinc/53/54/02/1005535402.db2.gz	HNLQFFJTYAZFOO-INIZCTEOSA-N	1	0	357.410	1.986	20	30		FDEDRO
C#CCN(CC(=O)NCC(=O)N1CCCC1)[C@@H]1CCCc2ccccc21	ZINC000933421167	1005555241	/nfs/dbraw/zinc/55/52/41/1005555241.db2.gz	DNZAGWLTWPMCSS-LJQANCHMSA-N	1	0	353.466	1.738	20	30		FDEDRO
C[C@@](CO)(Cc1ccccc1F)[NH2+]CC(=O)NCc1ccc(C#N)cc1	ZINC000933433729	1005556322	/nfs/dbraw/zinc/55/63/22/1005556322.db2.gz	BPZIFLJWYWUULM-FQEVSTJZSA-N	1	0	355.413	1.897	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[N@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1Cl	ZINC000933724620	1005620005	/nfs/dbraw/zinc/62/00/05/1005620005.db2.gz	ZKVNGLZYXHDTRB-BETUJISGSA-N	1	0	367.858	1.517	20	30		FDEDRO
C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)CC[NH+](C)CC1	ZINC000933839208	1005645258	/nfs/dbraw/zinc/64/52/58/1005645258.db2.gz	USWMQRKPPZJLRV-HNNXBMFYSA-N	1	0	369.506	1.809	20	30		FDEDRO
CC[N@H+](CCC(=O)NC)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC	ZINC000933867226	1005650429	/nfs/dbraw/zinc/65/04/29/1005650429.db2.gz	YZFNQZYFLLTGDV-HNNXBMFYSA-N	1	0	360.458	1.788	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C2	ZINC001111067354	1005688316	/nfs/dbraw/zinc/68/83/16/1005688316.db2.gz	ILTYHQHNDAQTLU-JJXSEGSLSA-N	1	0	357.520	1.392	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@H](C)Cc3cccnc3)CC2)o1	ZINC000934234136	1005717885	/nfs/dbraw/zinc/71/78/85/1005717885.db2.gz	NPNHBTDBPKJHGV-CQSZACIVSA-N	1	0	368.441	1.119	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@@H+]2CCOC[C@@H]2CC2CCOCC2)CCOCC1	ZINC000934631996	1005769311	/nfs/dbraw/zinc/76/93/11/1005769311.db2.gz	AWIBATDMYUAXQV-ZWKOTPCHSA-N	1	0	352.475	1.575	20	30		FDEDRO
C=CCCC[N@@H+](CC)CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C	ZINC000934648639	1005771341	/nfs/dbraw/zinc/77/13/41/1005771341.db2.gz	SLBIEPPXTSUFML-AWEZNQCLSA-N	1	0	365.499	1.900	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3ccccn3c1)C2	ZINC001111088920	1005855147	/nfs/dbraw/zinc/85/51/47/1005855147.db2.gz	BCQSOZVNUKEKLO-KURKYZTESA-N	1	0	350.422	1.024	20	30		FDEDRO
COc1cc(C#N)ccc1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000935157616	1005858608	/nfs/dbraw/zinc/85/86/08/1005858608.db2.gz	SYTXCUAWWKZRPG-CRAIPNDOSA-N	1	0	356.470	1.665	20	30		FDEDRO
C=CC1(CC(=O)NCC[N@@H+]2CCCOCC2)CN(C(=O)OC(C)(C)C)C1	ZINC000935550800	1005932987	/nfs/dbraw/zinc/93/29/87/1005932987.db2.gz	KDUOHTOQEHINRG-UHFFFAOYSA-N	1	0	367.490	1.638	20	30		FDEDRO
CC(=O)NCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1	ZINC001111131135	1006346381	/nfs/dbraw/zinc/34/63/81/1006346381.db2.gz	ZXDBZKPIFJHHIJ-QRVBRYPASA-N	1	0	368.481	1.942	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000954403315	1006716768	/nfs/dbraw/zinc/71/67/68/1006716768.db2.gz	QQXNYADQVRVJSH-MSOLQXFVSA-N	1	0	368.437	1.598	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2	ZINC001111217467	1006926465	/nfs/dbraw/zinc/92/64/65/1006926465.db2.gz	ZDLHZAJMDXEROR-KURKYZTESA-N	1	0	362.518	1.131	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000954714929	1006976601	/nfs/dbraw/zinc/97/66/01/1006976601.db2.gz	TVYZJAFXIBKZTK-NVXWUHKLSA-N	1	0	371.481	1.874	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)Cn2cc([C@H]3CCC[NH2+]C3)nn2)c(OC)c1	ZINC000641207483	1007015929	/nfs/dbraw/zinc/01/59/29/1007015929.db2.gz	JQACQHZEKGXDFJ-DLBZAZTESA-N	1	0	372.469	1.922	20	30		FDEDRO
C=CCC[C@@H](O)Cn1cc(CN2CCC([NH2+]C3CCOCC3)CC2)nn1	ZINC000641212909	1007018278	/nfs/dbraw/zinc/01/82/78/1007018278.db2.gz	UFSFGYZAYFTWPK-LJQANCHMSA-N	1	0	363.506	1.338	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1nc3n(c1=O)CCCC3)C2	ZINC001111238091	1007024103	/nfs/dbraw/zinc/02/41/03/1007024103.db2.gz	JTVBDIIPIGSSRT-OAGGEKHMSA-N	1	0	359.474	1.069	20	30		FDEDRO
C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](CCC(=O)N(C)CCC#N)C1	ZINC000778979565	1007096343	/nfs/dbraw/zinc/09/63/43/1007096343.db2.gz	WJXNXQQGYATVPZ-GJZGRUSLSA-N	1	0	352.479	1.984	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)c2c[nH+]ccc2N(C)C)C1	ZINC000955364619	1007385922	/nfs/dbraw/zinc/38/59/22/1007385922.db2.gz	NLVGXOAVXGPTLC-PBHICJAKSA-N	1	0	358.442	1.022	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccc3c[nH+]cn3c2C)C1	ZINC000955365241	1007388006	/nfs/dbraw/zinc/38/80/06/1007388006.db2.gz	HKCLJMJMYWPPNX-MSOLQXFVSA-N	1	0	368.437	1.517	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1	ZINC000947522432	1007674535	/nfs/dbraw/zinc/67/45/35/1007674535.db2.gz	NIHMGHKZDSQBKQ-ULQDDVLXSA-N	1	0	351.491	1.415	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC000956038370	1007805396	/nfs/dbraw/zinc/80/53/96/1007805396.db2.gz	FYSQDINYGTVKJS-YESZJQIVSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1ccn2c[nH+]cc2c1	ZINC000956119836	1007892231	/nfs/dbraw/zinc/89/22/31/1007892231.db2.gz	HFRRJWRXRUVSHJ-JQHSSLGASA-N	1	0	368.437	1.646	20	30		FDEDRO
CC(=O)N[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1)C(C)C	ZINC001111302288	1008669743	/nfs/dbraw/zinc/66/97/43/1008669743.db2.gz	VIBLFOWUYBMTSP-YSTOQKLRSA-N	1	0	368.481	1.940	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=[NH2+])NCCc2ccc(OC)cc2)c1	ZINC000303268063	1008790530	/nfs/dbraw/zinc/79/05/30/1008790530.db2.gz	XZSFCLUZMIJDCW-UHFFFAOYSA-N	1	0	350.422	1.762	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCN1C(=O)C1([NH+](C)C)CCC1	ZINC000950192827	1008818829	/nfs/dbraw/zinc/81/88/29/1008818829.db2.gz	JZWVGTGZJZDQPF-IKGGRYGDSA-N	1	0	363.502	1.559	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)c1	ZINC000958714184	1008984494	/nfs/dbraw/zinc/98/44/94/1008984494.db2.gz	AWMMJHNEDZPXPT-ATZDWAIDSA-N	1	0	368.481	1.512	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]([NH3+])[C@H](CC)C2)cc1	ZINC000647003832	1009383457	/nfs/dbraw/zinc/38/34/57/1009383457.db2.gz	BMOFNITWDLDMJF-CZUORRHYSA-N	1	0	351.472	1.350	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)CC1	ZINC000796361154	1009415251	/nfs/dbraw/zinc/41/52/51/1009415251.db2.gz	RXDAAVJWDXPTSZ-NJYVYQBISA-N	1	0	367.493	1.268	20	30		FDEDRO
[NH2+]=C(NCCCN1CCN(c2ncccn2)CC1)NCCc1ccccc1	ZINC000303770128	1009573295	/nfs/dbraw/zinc/57/32/95/1009573295.db2.gz	BPPSMXIRRBQKOT-UHFFFAOYSA-N	1	0	367.501	1.136	20	30		FDEDRO
CC[C@@H](CNC(NCCN1CCOCC1)=[NH+]C)N1CCc2ccccc2C1	ZINC000303877439	1009646880	/nfs/dbraw/zinc/64/68/80/1009646880.db2.gz	FGSGKWCNDHMYAD-FQEVSTJZSA-N	1	0	373.545	1.321	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNS(=O)(=O)CCCC)C2	ZINC001111327828	1009654089	/nfs/dbraw/zinc/65/40/89/1009654089.db2.gz	UWWDMJGRYKPXFV-VQHPVUNQSA-N	1	0	371.547	1.782	20	30		FDEDRO
C[C@@H](CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1)CN1CCOCC1	ZINC000304737406	1010476932	/nfs/dbraw/zinc/47/69/32/1010476932.db2.gz	AKRXARUIQWJRQI-INIZCTEOSA-N	1	0	363.481	1.231	20	30		FDEDRO
N#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3ccccc3[nH]1)C2	ZINC001111370689	1010814455	/nfs/dbraw/zinc/81/44/55/1010814455.db2.gz	BDDLZPHLTICLLW-UNEWFSDZSA-N	1	0	351.410	1.143	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1	ZINC000952067102	1011201340	/nfs/dbraw/zinc/20/13/40/1011201340.db2.gz	OJNOTCSPLCRCSX-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH+]2CCC([C@@H](O)c3ccccc3C)CC2)CC1	ZINC000796420394	1011517026	/nfs/dbraw/zinc/51/70/26/1011517026.db2.gz	UKSLQRIOEBEGKB-JOCHJYFZSA-N	1	0	369.509	1.518	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCCC1	ZINC000952541944	1011812597	/nfs/dbraw/zinc/81/25/97/1011812597.db2.gz	PMXOSPVJHYRZSC-XDNAFOTISA-N	1	0	361.486	1.265	20	30		FDEDRO
O=C(N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21)[C@@H]1OC[C@@H]2CCC[C@@H]21	ZINC000961236531	1012092313	/nfs/dbraw/zinc/09/23/13/1012092313.db2.gz	KMVRKXDNVPSMAU-POHNSKBLSA-N	1	0	350.462	1.900	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC(=O)N2CCC2)CC1	ZINC000963338486	1012167302	/nfs/dbraw/zinc/16/73/02/1012167302.db2.gz	XBQRTGDCRHRZET-HIEASXQVSA-N	1	0	363.502	1.559	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)s1	ZINC000961284303	1012173946	/nfs/dbraw/zinc/17/39/46/1012173946.db2.gz	SFZNRDSRTWOPBA-GGMNAPOESA-N	1	0	355.463	1.590	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2	ZINC001111407228	1012188487	/nfs/dbraw/zinc/18/84/87/1012188487.db2.gz	OOVRCAAYEWNJNI-TVFCKZIOSA-N	1	0	362.518	1.084	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2)C1	ZINC000961390226	1012322357	/nfs/dbraw/zinc/32/23/57/1012322357.db2.gz	AININPDOSRMDFE-LWYYNNOASA-N	1	0	360.498	1.622	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CCN(C(=O)[C@@H]4C[C@H]4CC)C3)C2)CC1	ZINC000953180752	1012322887	/nfs/dbraw/zinc/32/28/87/1012322887.db2.gz	FVCCICRKPPEZGW-SFGWALBWSA-N	1	0	371.525	1.829	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC3(C[C@H]3NC(=O)c3cc(C#N)c[nH]3)CC2)CC[N@@H+]1C	ZINC000963486521	1012328217	/nfs/dbraw/zinc/32/82/17/1012328217.db2.gz	CYMQPYDHDKJHMJ-FRFSOERESA-N	1	0	369.469	1.337	20	30		FDEDRO
C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC2)C1	ZINC000961410826	1012347999	/nfs/dbraw/zinc/34/79/99/1012347999.db2.gz	JMWUTCJARKFTDA-FGTMMUONSA-N	1	0	363.502	1.546	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCS(=O)(=O)N1)C2	ZINC001111412631	1012390013	/nfs/dbraw/zinc/39/00/13/1012390013.db2.gz	WWALUJYTWGXPGU-FPCVCCKLSA-N	1	0	355.504	1.146	20	30		FDEDRO
CC[C@@H](C)C(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1	ZINC001111415904	1012431590	/nfs/dbraw/zinc/43/15/90/1012431590.db2.gz	ADBWJLYSLYOREI-AXUOBQJMSA-N	1	0	368.481	1.942	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+][C@H]1CCN(C)C1=O)C2	ZINC000963816010	1012731085	/nfs/dbraw/zinc/73/10/85/1012731085.db2.gz	OYGNMPZLFKDIPD-AXGZNRHMSA-N	1	0	361.486	1.215	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc(N(C)C)c3)C[C@H]21	ZINC000961823112	1012891981	/nfs/dbraw/zinc/89/19/81/1012891981.db2.gz	HHZQGHMUUXXQFP-SLHNCBLASA-N	1	0	355.482	1.890	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2cncc(OC)n2)C1	ZINC000961852020	1012943505	/nfs/dbraw/zinc/94/35/05/1012943505.db2.gz	BHRLJCIZAGRORL-MMADZMRASA-N	1	0	360.458	1.451	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ncnn2C(C)C)C1	ZINC000961853318	1012945192	/nfs/dbraw/zinc/94/51/92/1012945192.db2.gz	MWNMZLBAGXAWMT-BACDZXNISA-N	1	0	361.490	1.825	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1	ZINC000953974219	1012993531	/nfs/dbraw/zinc/99/35/31/1012993531.db2.gz	SRXZFPWOAABVHP-KSZLIROESA-N	1	0	365.518	1.757	20	30		FDEDRO
COCC[N@H+](C)CC[C@@H](NS(=O)(=O)N(C)CCC#N)c1ccccc1	ZINC000507565050	538919335	/nfs/dbraw/zinc/91/93/35/538919335.db2.gz	IZYVJCZKMCHXHE-QGZVFWFLSA-N	1	0	368.503	1.376	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000192382608	178111957	/nfs/dbraw/zinc/11/19/57/178111957.db2.gz	QCFXUZZVMDEJPC-ZWKOTPCHSA-N	1	0	369.469	1.443	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)C[NH+]1CCCC1	ZINC000192714503	178128369	/nfs/dbraw/zinc/12/83/69/178128369.db2.gz	OJUDUDKOKQHTGO-CQSZACIVSA-N	1	0	359.474	1.901	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2ccnc(C#N)c2)c1	ZINC000193114381	178149156	/nfs/dbraw/zinc/14/91/56/178149156.db2.gz	IBVUCVNVEZVEII-UHFFFAOYSA-N	1	0	351.410	1.175	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cc(C#N)cn3C(C)(C)C)CC[C@H]21	ZINC000193171396	178150520	/nfs/dbraw/zinc/15/05/20/178150520.db2.gz	YZMDEYYWNAXITR-HZPDHXFCSA-N	1	0	371.485	1.996	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)ccn1	ZINC000194351159	178208276	/nfs/dbraw/zinc/20/82/76/178208276.db2.gz	DEWYECFIJCWCRJ-LJQANCHMSA-N	1	0	350.422	1.974	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@H]4CCC[C@H]43)CC2)o1	ZINC000245432496	178357136	/nfs/dbraw/zinc/35/71/36/178357136.db2.gz	BILTYSFUIGJJCT-NVXWUHKLSA-N	1	0	357.458	1.768	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)c2cnccc2C#N)CC1	ZINC000512313515	538971529	/nfs/dbraw/zinc/97/15/29/538971529.db2.gz	JVEYQJPYVIEDJX-UHFFFAOYSA-N	1	0	371.485	1.654	20	30		FDEDRO
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)NCC1CC[NH2+]CC1	ZINC000518348465	539411388	/nfs/dbraw/zinc/41/13/88/539411388.db2.gz	OHNIUSUZUXCHAK-ROUUACIJSA-N	1	0	354.454	1.401	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C2CCN(S(=O)(=O)CC)CC2)C1=O	ZINC000518607716	539437866	/nfs/dbraw/zinc/43/78/66/539437866.db2.gz	LKPAFLIVXYXWHA-ZBFHGGJFSA-N	1	0	357.520	1.155	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C2CCN(S(=O)(=O)CC)CC2)C1=O	ZINC000518607714	539437880	/nfs/dbraw/zinc/43/78/80/539437880.db2.gz	LKPAFLIVXYXWHA-GOEBONIOSA-N	1	0	357.520	1.155	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1	ZINC000520730767	539509147	/nfs/dbraw/zinc/50/91/47/539509147.db2.gz	WIEVKFXFPDIMDD-CABCVRRESA-N	1	0	356.430	1.459	20	30		FDEDRO
C[NH+]1CCC(CCNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1	ZINC000264164561	179038820	/nfs/dbraw/zinc/03/88/20/179038820.db2.gz	LFVUMBUOVHMYSQ-UHFFFAOYSA-N	1	0	356.474	1.517	20	30		FDEDRO
COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CCC(=O)Nc2ccccc2C#N)C1	ZINC000264227655	179054278	/nfs/dbraw/zinc/05/42/78/179054278.db2.gz	QTRJCKMEUWPWPT-WBVHZDCISA-N	1	0	372.469	1.750	20	30		FDEDRO
COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCC(=O)Nc2ccccc2C#N)C1	ZINC000264227641	179054556	/nfs/dbraw/zinc/05/45/56/179054556.db2.gz	QTRJCKMEUWPWPT-DOTOQJQBSA-N	1	0	372.469	1.750	20	30		FDEDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCCN(c2ccccc2C#N)CC1	ZINC000264853331	179221772	/nfs/dbraw/zinc/22/17/72/179221772.db2.gz	NLRSDEBURDDIDQ-SFHVURJKSA-N	1	0	370.501	1.026	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1	ZINC000265020844	179269027	/nfs/dbraw/zinc/26/90/27/179269027.db2.gz	HBMHQLHQPPANLE-HUUCEWRRSA-N	1	0	359.474	1.046	20	30		FDEDRO
C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1	ZINC000267353964	179818031	/nfs/dbraw/zinc/81/80/31/179818031.db2.gz	IISPPRBMIIQBSM-IRXDYDNUSA-N	1	0	356.474	1.658	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1	ZINC000268241339	180033713	/nfs/dbraw/zinc/03/37/13/180033713.db2.gz	NKBRYRFGKWPLKE-SFHVURJKSA-N	1	0	370.501	1.763	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1	ZINC000528515344	539765499	/nfs/dbraw/zinc/76/54/99/539765499.db2.gz	DWVCVIWGVBJBSA-FRQCXROJSA-N	1	0	368.433	1.148	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCC[C@H](N2CCOCC2)C1	ZINC000528516991	539765743	/nfs/dbraw/zinc/76/57/43/539765743.db2.gz	MHQUNYJIKDBUQB-KRWDZBQOSA-N	1	0	367.449	1.083	20	30		FDEDRO
COc1ccc(CN2CCN(c3nccn4cnnc34)[C@@H](C)C2)cc1C#N	ZINC000269728439	180372578	/nfs/dbraw/zinc/37/25/78/180372578.db2.gz	XAGJXVICTMASPY-AWEZNQCLSA-N	1	0	363.425	1.715	20	30		FDEDRO
C[NH+](C)CCCOc1cnccc1CNC(=O)Cc1ccc(C#N)nc1	ZINC000529394036	539831873	/nfs/dbraw/zinc/83/18/73/539831873.db2.gz	BBUOGXMYXVLRMT-UHFFFAOYSA-N	1	0	353.426	1.538	20	30		FDEDRO
COC[C@@]1([NH2+]C[C@H]2CNc3c(C#N)cnn3C2)COc2ccccc2C1	ZINC000529667754	539840044	/nfs/dbraw/zinc/84/00/44/539840044.db2.gz	DKGQPWOVGIVHTK-AUUYWEPGSA-N	1	0	353.426	1.406	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCN(C2CCCCC2)C1=O	ZINC000530230941	539915298	/nfs/dbraw/zinc/91/52/98/539915298.db2.gz	DYAWKMSSYMJFSL-QZTJIDSGSA-N	1	0	357.454	1.821	20	30		FDEDRO
CC(C)CC(=O)N1CCC([NH2+]C[C@H](O)COc2ccccc2C#N)CC1	ZINC000530232053	539915847	/nfs/dbraw/zinc/91/58/47/539915847.db2.gz	WGCUWIPOPHCHTP-SFHVURJKSA-N	1	0	359.470	1.925	20	30		FDEDRO
Cn1cc([C@@H](CO)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)cn1	ZINC000274122297	181028898	/nfs/dbraw/zinc/02/88/98/181028898.db2.gz	XDOXJAVSUXLDBO-OAHLLOKOSA-N	1	0	373.482	1.884	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cccc(N)c1	ZINC000274441688	181095303	/nfs/dbraw/zinc/09/53/03/181095303.db2.gz	IGWNXBORBRFYCL-UHFFFAOYSA-N	1	0	358.467	1.893	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001087198509	781933318	/nfs/dbraw/zinc/93/33/18/781933318.db2.gz	OGXLXYARENSSNG-JLSDUUJJSA-N	1	0	354.454	1.411	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCc2ccc(Cl)nc2)CC1	ZINC000268463562	674089892	/nfs/dbraw/zinc/08/98/92/674089892.db2.gz	VFVYZHDMNCKAHV-UHFFFAOYSA-N	1	0	353.854	1.803	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000530768401	540039185	/nfs/dbraw/zinc/03/91/85/540039185.db2.gz	BMRFIYWKVMLVQB-IBGZPJMESA-N	1	0	355.486	1.727	20	30		FDEDRO
CN(C)c1noc(CCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1	ZINC000274987871	181212518	/nfs/dbraw/zinc/21/25/18/181212518.db2.gz	MJJUGCRGGAHZDF-UHFFFAOYSA-N	1	0	370.457	1.530	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)n(CCC#N)n1	ZINC000533332190	540234059	/nfs/dbraw/zinc/23/40/59/540234059.db2.gz	LJHHSIWHPYLQSF-UHFFFAOYSA-N	1	0	360.462	1.280	20	30		FDEDRO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(OCCO)CC1	ZINC000533834391	540293575	/nfs/dbraw/zinc/29/35/75/540293575.db2.gz	HITBPVGLAYDCSG-KOHRHEQBSA-N	1	0	351.491	1.779	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)c2ccc(=O)n(-c3ccccc3F)n2)CC1	ZINC000534287929	540347268	/nfs/dbraw/zinc/34/72/68/540347268.db2.gz	KIQOWSCFVXYPNC-UHFFFAOYSA-N	1	0	355.373	1.089	20	30		FDEDRO
COc1ccc(OC)c(NC(=O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1	ZINC000534834272	540417694	/nfs/dbraw/zinc/41/76/94/540417694.db2.gz	OCPNKLNZSSZZBV-UHFFFAOYSA-N	1	0	372.429	1.384	20	30		FDEDRO
N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(OCCO)CC1)CCC2	ZINC000536005605	540537253	/nfs/dbraw/zinc/53/72/53/540537253.db2.gz	BELTZOFJHBOUPL-UHFFFAOYSA-N	1	0	363.483	1.910	20	30		FDEDRO
Cc1nc(COc2cccc(C(=O)NC3(C#N)CC[NH+](C)CC3)c2)no1	ZINC000536193119	540564352	/nfs/dbraw/zinc/56/43/52/540564352.db2.gz	UAUJFSHUUDSGKK-UHFFFAOYSA-N	1	0	355.398	1.675	20	30		FDEDRO
Cn1ncc2c1nc(N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[nH]c2=O	ZINC000537830132	540780367	/nfs/dbraw/zinc/78/03/67/540780367.db2.gz	NMLPWNHZXPZUIR-UHFFFAOYSA-N	1	0	351.414	1.509	20	30		FDEDRO
C[C@]1(F)CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000538392301	540852223	/nfs/dbraw/zinc/85/22/23/540852223.db2.gz	BTOVECMHMUSUKH-HKUYNNGSSA-N	1	0	362.424	1.968	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@]2(C)CCCO)CC1	ZINC000538514446	540865330	/nfs/dbraw/zinc/86/53/30/540865330.db2.gz	DMBHGNDRQJVTLX-MJGOQNOKSA-N	1	0	350.507	1.306	20	30		FDEDRO
CCN(C(=O)CNc1ccc(C#N)cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000546911937	542258666	/nfs/dbraw/zinc/25/86/66/542258666.db2.gz	CDXSBABAQNUDJL-IBGZPJMESA-N	1	0	363.465	2.488	20	30		FDEDRO
N#Cc1ccc2ncc(CNC[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)n2c1	ZINC000539516114	540968222	/nfs/dbraw/zinc/96/82/22/540968222.db2.gz	WZTXAZSVUBCLSZ-NRFANRHFSA-N	1	0	361.449	1.933	20	30		FDEDRO
CCCC[C@@H](NC(N)=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000109191292	209300102	/nfs/dbraw/zinc/30/01/02/209300102.db2.gz	YVZOKYYRVLGPHB-QGZVFWFLSA-N	1	0	359.474	1.676	20	30		FDEDRO
COc1ccc([C@@H](CCO)[NH2+]CC(=O)NCc2cccc(C#N)c2)cc1	ZINC000540330520	541046876	/nfs/dbraw/zinc/04/68/76/541046876.db2.gz	VSLFBSLGFSLUAE-LJQANCHMSA-N	1	0	353.422	1.896	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1	ZINC000540343187	541047958	/nfs/dbraw/zinc/04/79/58/541047958.db2.gz	OWZUZYRBHVURCA-UHFFFAOYSA-N	1	0	359.426	1.829	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@@H]4[C@@H]3CCCN4CCO)C2=O)cc1	ZINC000934263993	781941329	/nfs/dbraw/zinc/94/13/29/781941329.db2.gz	LGANVAXTSJSHRG-QYZOEREBSA-N	1	0	354.454	1.195	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+]C(C)(C)CC(N)=O	ZINC000541662845	541241709	/nfs/dbraw/zinc/24/17/09/541241709.db2.gz	JINFDJDHJJUJPP-UHFFFAOYSA-N	1	0	363.462	1.195	20	30		FDEDRO
C[C@@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C1=CC[N@H+](C)CC1	ZINC000541896831	541293054	/nfs/dbraw/zinc/29/30/54/541293054.db2.gz	JIZRFIPACGTBED-CYBMUJFWSA-N	1	0	350.426	1.706	20	30		FDEDRO
C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCc1cccc(C#N)c1	ZINC000275618643	181369970	/nfs/dbraw/zinc/36/99/70/181369970.db2.gz	MIWNOAXJVZJGDJ-UHFFFAOYSA-N	1	0	350.422	1.917	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(C(N)=O)n1	ZINC000542892030	541496876	/nfs/dbraw/zinc/49/68/76/541496876.db2.gz	DDXREHAWCWGTTA-UHFFFAOYSA-N	1	0	351.410	1.256	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1cnn(C)c1	ZINC000544469543	541772607	/nfs/dbraw/zinc/77/26/07/541772607.db2.gz	UQJUOJZMUBFOGS-GOEBONIOSA-N	1	0	372.498	1.541	20	30		FDEDRO
CCS(=O)(=O)N1CCC(C[NH2+]Cc2cnc3ccc(C#N)cn23)CC1	ZINC000544617369	541796348	/nfs/dbraw/zinc/79/63/48/541796348.db2.gz	NKIRIRLUNWXCDD-UHFFFAOYSA-N	1	0	361.471	1.357	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2nnc(CC(=O)OCC)s2)CC1	ZINC000269857233	674121929	/nfs/dbraw/zinc/12/19/29/674121929.db2.gz	UKJPNXDQUBSZEH-UHFFFAOYSA-N	1	0	353.448	1.416	20	30		FDEDRO
C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCc1cccc(C#N)c1	ZINC000283513692	182203069	/nfs/dbraw/zinc/20/30/69/182203069.db2.gz	BVQVAHGWOBGWJQ-BZUAXINKSA-N	1	0	356.470	1.657	20	30		FDEDRO
COC(=O)c1cn(CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)nn1	ZINC000284176145	182390155	/nfs/dbraw/zinc/39/01/55/182390155.db2.gz	AELDWBQXGMZNDZ-UHFFFAOYSA-N	1	0	368.441	1.191	20	30		FDEDRO
CCN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)N(C)CCC#N	ZINC000545471730	541979844	/nfs/dbraw/zinc/97/98/44/541979844.db2.gz	OUAQJOLDLUQJLL-KRWDZBQOSA-N	1	0	350.488	1.673	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)CN2CCN(c3cccc(C#N)n3)CC2)CC1	ZINC000546209235	542125276	/nfs/dbraw/zinc/12/52/76/542125276.db2.gz	FQTAQEQCRPEGQH-UHFFFAOYSA-N	1	0	370.501	1.064	20	30		FDEDRO
C[C@H](O)CN1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)[C@H](C)C1	ZINC000286165797	183002792	/nfs/dbraw/zinc/00/27/92/183002792.db2.gz	JVAQFDBICMHBOY-HLLBOEOZSA-N	1	0	374.460	1.437	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)N2CCN(C/C=C/c3ccccc3)CC2)n1	ZINC000286672674	183125269	/nfs/dbraw/zinc/12/52/69/183125269.db2.gz	BRUSNRWMCSHDSP-QPJJXVBHSA-N	1	0	365.441	1.190	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@H](C(=O)N4CCCC4)C3)C2=O)cc1	ZINC000287558453	183323429	/nfs/dbraw/zinc/32/34/29/183323429.db2.gz	WTTCXRPEEFBIFX-PKOBYXMFSA-N	1	0	366.465	1.998	20	30		FDEDRO
C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000269925171	674135951	/nfs/dbraw/zinc/13/59/51/674135951.db2.gz	QPOCQOAMGINDKP-KRWDZBQOSA-N	1	0	364.471	1.060	20	30		FDEDRO
C[C@@H]1CCC[N@H+](CCNC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1	ZINC000546924055	542261257	/nfs/dbraw/zinc/26/12/57/542261257.db2.gz	FQUJGJPMYLVGRT-MRXNPFEDSA-N	1	0	356.474	1.517	20	30		FDEDRO
C[C@H](CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)N1CC[NH+](C)CC1	ZINC000294851689	184013790	/nfs/dbraw/zinc/01/37/90/184013790.db2.gz	SMDGZQPRCADBST-LLVKDONJSA-N	1	0	355.364	1.338	20	30		FDEDRO
CC[NH+]1CCN(CCNC(=O)c2ccc(Br)cc2C#N)CC1	ZINC000294997200	184026133	/nfs/dbraw/zinc/02/61/33/184026133.db2.gz	VHCDEHJEYUVLDN-UHFFFAOYSA-N	1	0	365.275	1.688	20	30		FDEDRO
C[C@@H]1C[C@@H](S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CCO1	ZINC000295194272	184043445	/nfs/dbraw/zinc/04/34/45/184043445.db2.gz	LSDIXRYNVAFOJU-QAPCUYQASA-N	1	0	365.499	1.819	20	30		FDEDRO
COC[C@]1(C(=O)OC)CC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000295117433	184035048	/nfs/dbraw/zinc/03/50/48/184035048.db2.gz	VZTGWDQFLZMPOT-FQEVSTJZSA-N	1	0	368.437	1.970	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1	ZINC000295945816	184115835	/nfs/dbraw/zinc/11/58/35/184115835.db2.gz	DZHQKYUIHBBBAB-CQSZACIVSA-N	1	0	370.453	1.838	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCNS(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000296145489	184134936	/nfs/dbraw/zinc/13/49/36/184134936.db2.gz	SWPNPEWVSXWMEI-UHFFFAOYSA-N	1	0	356.467	1.000	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)Cc2cccc(C#N)c2)[C@@H](C)C1	ZINC000298007794	184373766	/nfs/dbraw/zinc/37/37/66/184373766.db2.gz	KUGFDBIAHFZQFR-MAUKXSAKSA-N	1	0	356.470	1.705	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2nnn(C)n2)[C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC001087200584	781972082	/nfs/dbraw/zinc/97/20/82/781972082.db2.gz	DXENAYGRYKFEQP-DOMZBBRYSA-N	1	0	371.420	1.251	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1	ZINC000547415948	542335368	/nfs/dbraw/zinc/33/53/68/542335368.db2.gz	JLSFQTJVVLGOJV-UHFFFAOYSA-N	1	0	358.442	1.742	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C	ZINC000547416839	542336224	/nfs/dbraw/zinc/33/62/24/542336224.db2.gz	PAKFCAXPXUZTHN-ZIAGYGMSSA-N	1	0	358.442	1.884	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccn(Cc3ccccc3)n2)c1C#N	ZINC000547853340	542465138	/nfs/dbraw/zinc/46/51/38/542465138.db2.gz	DSGOFIFEWPYAJU-UHFFFAOYSA-N	1	0	363.425	1.930	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1	ZINC000972073941	781982645	/nfs/dbraw/zinc/98/26/45/781982645.db2.gz	UGCAXSHJBJHLPV-CEXWTWQISA-N	1	0	357.498	1.580	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1	ZINC000550291939	543060128	/nfs/dbraw/zinc/06/01/28/543060128.db2.gz	LTTQMHOEZPQUNH-INIZCTEOSA-N	1	0	373.501	1.311	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCc3ccc(C#N)cc32)CCSC1	ZINC000270134866	674170238	/nfs/dbraw/zinc/17/02/38/674170238.db2.gz	CCRGQOWBGWDQGQ-SFHVURJKSA-N	1	0	358.467	1.001	20	30		FDEDRO
CC1CC[NH+](CCCNC(=O)C(=O)N(C)Cc2cccc(C#N)c2)CC1	ZINC000550464246	543108840	/nfs/dbraw/zinc/10/88/40/543108840.db2.gz	JTIMPSXKWBCLLA-UHFFFAOYSA-N	1	0	356.470	1.755	20	30		FDEDRO
CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1ccc2c[nH+]cn2c1	ZINC000551298480	543267744	/nfs/dbraw/zinc/26/77/44/543267744.db2.gz	XTGWAQJHNHUFET-UHFFFAOYSA-N	1	0	352.354	1.873	20	30		FDEDRO
C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)C[C@@H](C)C1	ZINC000551685199	543321747	/nfs/dbraw/zinc/32/17/47/543321747.db2.gz	YUBJZCKPTZBJDC-GDZNZVCISA-N	1	0	358.417	1.825	20	30		FDEDRO
C=CCOc1ccccc1C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1	ZINC000552045622	543410508	/nfs/dbraw/zinc/41/05/08/543410508.db2.gz	KUAAAINJROKFBT-QGZVFWFLSA-N	1	0	357.454	1.676	20	30		FDEDRO
C[C@@H](C(=O)NC[C@H]1CCCO1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000073350387	172061468	/nfs/dbraw/zinc/06/14/68/172061468.db2.gz	OBQQSQBVTAQCEO-FXAWDEMLSA-N	1	0	370.497	1.750	20	30		FDEDRO
C[C@@H]1CN(c2ccc(CNC(=O)c3cc(C#N)cn3C)cn2)C[C@H](C)O1	ZINC000081014772	172180393	/nfs/dbraw/zinc/18/03/93/172180393.db2.gz	RQMTUUBDDXURGI-OKILXGFUSA-N	1	0	353.426	1.835	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)CC[C@H]21	ZINC000091249296	172282002	/nfs/dbraw/zinc/28/20/02/172282002.db2.gz	FOOBCOYZGWWRBA-UKRRQHHQSA-N	1	0	372.473	1.391	20	30		FDEDRO
CCS(=O)(=O)N(C)C1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1	ZINC000127035889	173062573	/nfs/dbraw/zinc/06/25/73/173062573.db2.gz	LGWKBZUBSHWQOO-KRWDZBQOSA-N	1	0	351.472	1.338	20	30		FDEDRO
COCCC(=O)N1CCC([NH2+][C@H](C)C(=O)Nc2ccccc2C#N)CC1	ZINC000133305698	173260690	/nfs/dbraw/zinc/26/06/90/173260690.db2.gz	UKRCFBDKTRPXBP-CQSZACIVSA-N	1	0	358.442	1.502	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)CC1	ZINC000134069164	173317649	/nfs/dbraw/zinc/31/76/49/173317649.db2.gz	JFZNNAHKABKYFC-UHFFFAOYSA-N	1	0	358.442	1.442	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC(OCCC[NH+](C)C)CC1	ZINC000176799357	174088251	/nfs/dbraw/zinc/08/82/51/174088251.db2.gz	MMRHIRYOULFHFD-UHFFFAOYSA-N	1	0	365.499	1.988	20	30		FDEDRO
C[NH+](C)C1CCN(CCNS(=O)(=O)Cc2cccc(C#N)c2)CC1	ZINC000176919980	174094901	/nfs/dbraw/zinc/09/49/01/174094901.db2.gz	IXKUTPPTWYSDCA-UHFFFAOYSA-N	1	0	350.488	1.004	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)s1	ZINC000176972594	174097385	/nfs/dbraw/zinc/09/73/85/174097385.db2.gz	LHXDKZVZSIKGLN-UHFFFAOYSA-N	1	0	369.512	1.683	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1	ZINC000553194029	543585040	/nfs/dbraw/zinc/58/50/40/543585040.db2.gz	ZEVHWLSAQFUPIZ-PKOBYXMFSA-N	1	0	373.497	1.817	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)O1	ZINC000180359732	258367123	/nfs/dbraw/zinc/36/71/23/258367123.db2.gz	JFPKSSXDGPOKCZ-MSOLQXFVSA-N	1	0	367.453	1.684	20	30		FDEDRO
CCC[N@H+](C)C[C@H]1CCN(C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C1	ZINC000173783576	258310222	/nfs/dbraw/zinc/31/02/22/258310222.db2.gz	YOLCEGIMFYSGTM-MRXNPFEDSA-N	1	0	358.486	1.986	20	30		FDEDRO
N#Cc1ccc(Cl)cc1NC(=O)CN1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000178822417	258336264	/nfs/dbraw/zinc/33/62/64/258336264.db2.gz	FAWMSLJEAQRHGQ-CQSZACIVSA-N	1	0	362.861	1.804	20	30		FDEDRO
N#Cc1cc(C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c[nH]1	ZINC000181287177	258378223	/nfs/dbraw/zinc/37/82/23/258378223.db2.gz	KFTDOVLWZUWBQJ-INIZCTEOSA-N	1	0	365.437	1.514	20	30		FDEDRO
CC1CC[NH+](CCNC(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1	ZINC000184613523	258382290	/nfs/dbraw/zinc/38/22/90/258382290.db2.gz	GCPWACOXUWHKLG-UHFFFAOYSA-N	1	0	353.430	1.992	20	30		FDEDRO
CN(CC1([NH+](C)C)CCC1)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000188044219	258385863	/nfs/dbraw/zinc/38/58/63/258385863.db2.gz	PHPLHTGWWVFMLB-UHFFFAOYSA-N	1	0	363.483	1.416	20	30		FDEDRO
COC[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1CCCO1	ZINC000279071996	258530634	/nfs/dbraw/zinc/53/06/34/258530634.db2.gz	MUSONBJXBSMNJJ-SJORKVTESA-N	1	0	369.425	1.466	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC([C@@H]3CCCO3)CC2)CC1	ZINC000553732191	543688189	/nfs/dbraw/zinc/68/81/89/543688189.db2.gz	OYRURHZDOWDRJG-SFHVURJKSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(Cc2ccccn2)C(C)C)CC1	ZINC000553735752	543689170	/nfs/dbraw/zinc/68/91/70/543689170.db2.gz	XVCPWIGPCKFLJS-UHFFFAOYSA-N	1	0	358.486	1.975	20	30		FDEDRO
N#Cc1cnn2c1NC[C@@H](C[NH2+][C@H]1CC(=O)N(c3ccccc3Cl)C1)C2	ZINC000553527624	543652508	/nfs/dbraw/zinc/65/25/08/543652508.db2.gz	UYJYFWIULVIIGG-OCCSQVGLSA-N	1	0	370.844	1.845	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)CCCOC(C)C)CC2)o1	ZINC000555022769	543903197	/nfs/dbraw/zinc/90/31/97/543903197.db2.gz	KDGBYGIPACFQPA-UHFFFAOYSA-N	1	0	363.462	1.250	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(c2cnccc2C#N)CC1)[N@@H+]1CCC[C@H](C)C1	ZINC000555535014	543967297	/nfs/dbraw/zinc/96/72/97/543967297.db2.gz	DYMAIUISFWBOKD-IRXDYDNUSA-N	1	0	370.501	1.905	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1	ZINC000555860092	544041953	/nfs/dbraw/zinc/04/19/53/544041953.db2.gz	UTPKVYAHXMNABZ-RDJZCZTQSA-N	1	0	351.491	1.320	20	30		FDEDRO
C[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](O)[C@H](N(C)CC(=O)OC(C)(C)C)C1	ZINC000556084063	544091427	/nfs/dbraw/zinc/09/14/27/544091427.db2.gz	HDZGTWZJHIIOHD-BMGDILEWSA-N	1	0	359.470	1.938	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC)cc1	ZINC000556506070	544150656	/nfs/dbraw/zinc/15/06/56/544150656.db2.gz	JKABVQCOACUPLC-LBPRGKRZSA-N	1	0	353.444	1.143	20	30		FDEDRO
CN1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@H](C[NH3+])C1	ZINC000557025471	544235651	/nfs/dbraw/zinc/23/56/51/544235651.db2.gz	AVMQJLCVWDTSIC-MRXNPFEDSA-N	1	0	366.425	1.852	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000557184609	544259006	/nfs/dbraw/zinc/25/90/06/544259006.db2.gz	VXPIBCQGUPTJCH-LHUBUQBQSA-N	1	0	357.458	1.940	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2[C@@H](C)[C@H](OC)C2(CC)CC)CC1	ZINC000557731604	544338008	/nfs/dbraw/zinc/33/80/08/544338008.db2.gz	PIHLLSNUVXCHIM-OIISXLGYSA-N	1	0	365.518	1.709	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)Cc2cnc(C(C)C)nc2)CC1	ZINC000557767920	544344193	/nfs/dbraw/zinc/34/41/93/544344193.db2.gz	CKSPDZLRQFXRSZ-UHFFFAOYSA-N	1	0	373.501	1.715	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CC[NH+](C)CC1)N1CCN(c2ccc(F)cc2)CC1	ZINC000558296343	544408213	/nfs/dbraw/zinc/40/82/13/544408213.db2.gz	WVWQIILIFCOOQU-INIZCTEOSA-N	1	0	373.476	1.440	20	30		FDEDRO
CC[NH+]1CCC(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1	ZINC000558541055	544460760	/nfs/dbraw/zinc/46/07/60/544460760.db2.gz	QOGQJZIFZZRBSG-UHFFFAOYSA-N	1	0	356.474	1.517	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC000559142583	544595863	/nfs/dbraw/zinc/59/58/63/544595863.db2.gz	MNWKMLBENWGJGN-OAHLLOKOSA-N	1	0	374.489	1.824	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1	ZINC000559661066	544759375	/nfs/dbraw/zinc/75/93/75/544759375.db2.gz	DCKFUPHXJDEOEZ-UHFFFAOYSA-N	1	0	373.497	1.471	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCO[C@](C)(CC)C1)C(C)C	ZINC000559866881	544827027	/nfs/dbraw/zinc/82/70/27/544827027.db2.gz	CMULEPFQVUFLSF-FXAWDEMLSA-N	1	0	365.518	1.829	20	30		FDEDRO
CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2cnc3ccc(C#N)cn23)c1	ZINC000560255595	544927448	/nfs/dbraw/zinc/92/74/48/544927448.db2.gz	ZCFPVIWRTIIHAB-CYBMUJFWSA-N	1	0	369.450	1.965	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CCO1	ZINC000287883974	258753698	/nfs/dbraw/zinc/75/36/98/258753698.db2.gz	DTXQWOLVXBBFTI-QAPCUYQASA-N	1	0	372.469	1.132	20	30		FDEDRO
C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000293634760	258888456	/nfs/dbraw/zinc/88/84/56/258888456.db2.gz	ZMHJKCCSZHYPLS-ZACQAIPSSA-N	1	0	357.458	1.989	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N	ZINC000299589254	259008750	/nfs/dbraw/zinc/00/87/50/259008750.db2.gz	WCWMMYPTKDGEQA-KRWDZBQOSA-N	1	0	370.432	1.608	20	30		FDEDRO
CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1nccc(C#N)c1[N+](=O)[O-]	ZINC000302452220	259042171	/nfs/dbraw/zinc/04/21/71/259042171.db2.gz	POKRQRHHEYLLJU-LJQANCHMSA-N	1	0	367.409	1.935	20	30		FDEDRO
Cn1nccc1[C@@H]1OCC[C@H]1C[NH+]1CCN(c2ncccc2C#N)CC1	ZINC000328996487	259071604	/nfs/dbraw/zinc/07/16/04/259071604.db2.gz	ULQNVTNURZAPLX-FUHWJXTLSA-N	1	0	352.442	1.587	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1	ZINC000329123268	259078970	/nfs/dbraw/zinc/07/89/70/259078970.db2.gz	XCSNGUIEIKSXCP-IAGOWNOFSA-N	1	0	370.497	1.952	20	30		FDEDRO
C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000331288613	259185718	/nfs/dbraw/zinc/18/57/18/259185718.db2.gz	JIAGSLCCQYSSIW-LBPRGKRZSA-N	1	0	352.416	1.619	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@@H](C)CC(C)(C)C3)CC2)o1	ZINC000332411983	259264709	/nfs/dbraw/zinc/26/47/09/259264709.db2.gz	RSPPFTKVJJDWSO-AWEZNQCLSA-N	1	0	359.474	1.871	20	30		FDEDRO
C[C@@H]1CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H](C)C[NH2+]1	ZINC000333826972	259385419	/nfs/dbraw/zinc/38/54/19/259385419.db2.gz	SBKNHBCWLOLUPC-CPUCHLNUSA-N	1	0	355.442	1.051	20	30		FDEDRO
C[C@H](CNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)C[NH+]1CCCC1	ZINC000363458357	259598422	/nfs/dbraw/zinc/59/84/22/259598422.db2.gz	UOABXYMJLCRJRD-MRXNPFEDSA-N	1	0	370.501	1.953	20	30		FDEDRO
C[N@@H+]1CC[C@H](CNC(=O)NCCn2cnc(C#N)n2)[C@H]1c1cccs1	ZINC000368625138	260211486	/nfs/dbraw/zinc/21/14/86/260211486.db2.gz	PUYMWGQGYBAMIY-DOMZBBRYSA-N	1	0	359.459	1.203	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCC(n3cnc(C#N)n3)CC2)C1	ZINC000369141619	260301121	/nfs/dbraw/zinc/30/11/21/260301121.db2.gz	CWMNTGDIEAZEJN-HNNXBMFYSA-N	1	0	359.478	1.474	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3ccc(C#N)s3)CC2)C1	ZINC000369174149	260307375	/nfs/dbraw/zinc/30/73/75/260307375.db2.gz	MBOAGCOMVJLYCU-ZDUSSCGKSA-N	1	0	354.501	1.020	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)N2CCC[N@@H+](C3CCOCC3)CC2)c1	ZINC000369525439	260383935	/nfs/dbraw/zinc/38/39/35/260383935.db2.gz	MMBVCVRLRYPSES-UHFFFAOYSA-N	1	0	356.426	1.210	20	30		FDEDRO
N#Cc1cnc2ccccc2c1N1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1	ZINC000372994140	260963240	/nfs/dbraw/zinc/96/32/40/260963240.db2.gz	ARLWCAFAIMOOFA-MRXNPFEDSA-N	1	0	370.478	1.852	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)N1CCC(n2cnc(C#N)n2)CC1)c1ccccc1	ZINC000373445002	261011363	/nfs/dbraw/zinc/01/13/63/261011363.db2.gz	ZCMIRVWOTZBHGG-KRWDZBQOSA-N	1	0	367.457	1.799	20	30		FDEDRO
N#Cc1ncccc1S(=O)(=O)NCc1ccc(-n2ccnc2)c(F)c1	ZINC000373780990	261039699	/nfs/dbraw/zinc/03/96/99/261039699.db2.gz	PAHOLWXITDWBEG-UHFFFAOYSA-N	1	0	357.370	1.757	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3[C@@H]3CCCO3)CC2)o1	ZINC000375339023	261316825	/nfs/dbraw/zinc/31/68/25/261316825.db2.gz	VQJRQQYFIBJOGE-SJORKVTESA-N	1	0	373.457	1.147	20	30		FDEDRO
C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000375637466	261387967	/nfs/dbraw/zinc/38/79/67/261387967.db2.gz	UOQHIDMFWOMNBR-STQMWFEESA-N	1	0	364.427	1.714	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCC(n2cnc(C#N)n2)CC1)[N@@H+]1CCC[C@H](C)C1	ZINC000375678255	261397219	/nfs/dbraw/zinc/39/72/19/261397219.db2.gz	ZVMBROXKXCWXSK-GJZGRUSLSA-N	1	0	359.478	1.617	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCN(c2ccc(C(F)(F)F)c(C#N)n2)CC1	ZINC000409712036	262136001	/nfs/dbraw/zinc/13/60/01/262136001.db2.gz	NPUKPONUBGNFHT-UHFFFAOYSA-N	1	0	355.364	1.572	20	30		FDEDRO
C[C@@H](C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)n1cnc(C#N)n1	ZINC000409951034	262147351	/nfs/dbraw/zinc/14/73/51/262147351.db2.gz	FQISNFAOKVEVEU-YOEHRIQHSA-N	1	0	352.442	1.738	20	30		FDEDRO
[NH2+]=C(NC[C@H](O)CS(=O)(=O)c1cccs1)NC1CCCCCC1	ZINC000271241419	674327313	/nfs/dbraw/zinc/32/73/13/674327313.db2.gz	DQDHZYNGLUILII-ZDUSSCGKSA-N	1	0	359.517	1.510	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C[C@H]1C	ZINC000505047541	490817891	/nfs/dbraw/zinc/81/78/91/490817891.db2.gz	GLNIDQOUROTSST-HIFRSBDPSA-N	1	0	360.462	1.375	20	30		FDEDRO
CC(C)[NH+]1CCN([C@H]2CCN(C(=O)Nc3ccn(CCC#N)n3)C2)CC1	ZINC000610730609	492260089	/nfs/dbraw/zinc/26/00/89/492260089.db2.gz	XLNWVAXNFWGQQU-INIZCTEOSA-N	1	0	359.478	1.429	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1	ZINC000057172552	522021474	/nfs/dbraw/zinc/02/14/74/522021474.db2.gz	PTZRUTOFXILGEN-UHFFFAOYSA-N	1	0	356.426	1.589	20	30		FDEDRO
CC[NH+](CC)CCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O	ZINC000071093401	522098829	/nfs/dbraw/zinc/09/88/29/522098829.db2.gz	JJONGRWOBSQIHB-INIZCTEOSA-N	1	0	371.441	1.221	20	30		FDEDRO
C[C@H](CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)CN1CC[NH+](C)CC1	ZINC000071972517	522144156	/nfs/dbraw/zinc/14/41/56/522144156.db2.gz	VAMZFMNDXQJRDZ-CYBMUJFWSA-N	1	0	370.906	1.373	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)CCC(=O)N1CCOCC1)C(C)C	ZINC000046049084	522211836	/nfs/dbraw/zinc/21/18/36/522211836.db2.gz	FNVFLOZPPORAJZ-QGZVFWFLSA-N	1	0	351.491	1.440	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1	ZINC000046857852	522371108	/nfs/dbraw/zinc/37/11/08/522371108.db2.gz	RXMDERFVBZUHOP-HNNXBMFYSA-N	1	0	363.483	1.202	20	30		FDEDRO
C[NH+]=C(NCC[C@@](O)(c1nccn1C)C(F)(F)F)N1CCC[C@H](C)C1	ZINC000072874116	522415651	/nfs/dbraw/zinc/41/56/51/522415651.db2.gz	CRGGCTRUHDPIEE-SWLSCSKDSA-N	1	0	361.412	1.867	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CCOCC1	ZINC000073256784	522499350	/nfs/dbraw/zinc/49/93/50/522499350.db2.gz	MULFYCCGKRLOFL-UHFFFAOYSA-N	1	0	364.833	1.377	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(N[C@H]2CCOc3ccccc32)=[NH+]C2CC2)C1	ZINC000073806915	522611775	/nfs/dbraw/zinc/61/17/75/522611775.db2.gz	DVFBOZRVWDRFLU-CJNGLKHVSA-N	1	0	363.483	1.643	20	30		FDEDRO
Cc1n[nH]c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1[N+](=O)[O-]	ZINC000064337090	522704866	/nfs/dbraw/zinc/70/48/66/522704866.db2.gz	IKVOAIWIYHATBT-UHFFFAOYSA-N	1	0	356.386	1.702	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)CNc3ccc(C#N)cc3)cn2)CC1	ZINC000064722947	522747320	/nfs/dbraw/zinc/74/73/20/522747320.db2.gz	SGNPYUBVWIRHAM-UHFFFAOYSA-N	1	0	364.453	1.433	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(C[NH+]2CCCCCC2)CC1	ZINC000048564921	522749930	/nfs/dbraw/zinc/74/99/30/522749930.db2.gz	GSSMGBNBTRISKT-MRXNPFEDSA-N	1	0	350.507	1.975	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C	ZINC000064758817	522751809	/nfs/dbraw/zinc/75/18/09/522751809.db2.gz	LENOGEXVKCAUDR-KRWDZBQOSA-N	1	0	366.421	1.924	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1	ZINC000074345228	522756566	/nfs/dbraw/zinc/75/65/66/522756566.db2.gz	FWSDQAINCYIXPP-SFHVURJKSA-N	1	0	358.486	1.972	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)NCc3cccc(C#N)c3)ccn2)CC1	ZINC000048870615	522789829	/nfs/dbraw/zinc/78/98/29/522789829.db2.gz	GJNHRNPQZXYOBL-UHFFFAOYSA-N	1	0	364.453	1.704	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000065785218	522888616	/nfs/dbraw/zinc/88/86/16/522888616.db2.gz	UKWCIXYYUUYVLC-UHFFFAOYSA-N	1	0	370.413	1.643	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C(N)=O)cc1	ZINC000065931363	522922942	/nfs/dbraw/zinc/92/29/42/522922942.db2.gz	DMZWFAWBGGOWAB-UHFFFAOYSA-N	1	0	350.422	1.861	20	30		FDEDRO
CC[C@@H](C)[N@H+](C)CCNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000066125241	522959680	/nfs/dbraw/zinc/95/96/80/522959680.db2.gz	BWGZKGUTDYZYCO-CQSZACIVSA-N	1	0	351.472	1.320	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)COc2ccc(C#N)cc2)CC1	ZINC000066344668	523023096	/nfs/dbraw/zinc/02/30/96/523023096.db2.gz	YQNMWEQQXYWUST-UHFFFAOYSA-N	1	0	365.437	1.400	20	30		FDEDRO
CC1(C)NC(=O)N(CC[N@@H+]2CCCN(c3ccccc3C#N)CC2)C1=O	ZINC000051852248	523088776	/nfs/dbraw/zinc/08/87/76/523088776.db2.gz	QYGNCWNZTFPTBW-UHFFFAOYSA-N	1	0	355.442	1.401	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(=O)NC3CC3)cc2)CC1	ZINC000076512733	523127081	/nfs/dbraw/zinc/12/70/81/523127081.db2.gz	KTRFOPNJZLBAFB-UHFFFAOYSA-N	1	0	370.453	1.284	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2-n2cccn2)CC1	ZINC000076526283	523130816	/nfs/dbraw/zinc/13/08/16/523130816.db2.gz	CXSWVZFEUMQUNP-UHFFFAOYSA-N	1	0	353.426	1.577	20	30		FDEDRO
C=CCCC[N@@H+](C)[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000076801722	523188359	/nfs/dbraw/zinc/18/83/59/523188359.db2.gz	VAKABQQNSGKTIE-CQSZACIVSA-N	1	0	353.488	1.279	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1	ZINC000076965351	523218384	/nfs/dbraw/zinc/21/83/84/523218384.db2.gz	RRUCOXHOECYQBQ-DLBZAZTESA-N	1	0	362.518	1.965	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+](CC)CC)cc1	ZINC000052679262	523237051	/nfs/dbraw/zinc/23/70/51/523237051.db2.gz	ZGFOPPJVSWQCDG-CQSZACIVSA-N	1	0	360.458	1.387	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1S(=O)(=O)N(C)CCC#N	ZINC000077405536	523325025	/nfs/dbraw/zinc/32/50/25/523325025.db2.gz	RKCYDMUUYGGVNF-MRXNPFEDSA-N	1	0	350.488	1.673	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000077665985	523410209	/nfs/dbraw/zinc/41/02/09/523410209.db2.gz	WQDQEWIDJZBXPS-QGZVFWFLSA-N	1	0	371.481	1.999	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CCC)C2)cc1	ZINC000067393116	523420574	/nfs/dbraw/zinc/42/05/74/523420574.db2.gz	JTGCLGYPAPSOAV-OAHLLOKOSA-N	1	0	372.469	1.389	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc(=O)n(CC)c1)C(C)C	ZINC000077707087	523424762	/nfs/dbraw/zinc/42/47/62/523424762.db2.gz	QFYXMXOACIEGTE-KRWDZBQOSA-N	1	0	374.485	1.622	20	30		FDEDRO
Cn1c(NCc2ccc(C[NH+]3CCCC3)cc2)c(C#N)c(=O)n(C)c1=O	ZINC000054368897	523629431	/nfs/dbraw/zinc/62/94/31/523629431.db2.gz	KYHCPTRZWWQVQR-UHFFFAOYSA-N	1	0	353.426	1.164	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000054868054	523711493	/nfs/dbraw/zinc/71/14/93/523711493.db2.gz	RZWMCMWWVBCVEY-QGZVFWFLSA-N	1	0	353.470	1.827	20	30		FDEDRO
COC1CC[NH+](CCNC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)CC1	ZINC000079684987	523782566	/nfs/dbraw/zinc/78/25/66/523782566.db2.gz	RNVGHYZUOKENGK-UHFFFAOYSA-N	1	0	360.458	1.023	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1	ZINC000081079794	523938321	/nfs/dbraw/zinc/93/83/21/523938321.db2.gz	GGMOPNBVZOWNBH-MRXNPFEDSA-N	1	0	365.437	1.846	20	30		FDEDRO
C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C[NH+]1CCCC1	ZINC000156615551	524116712	/nfs/dbraw/zinc/11/67/12/524116712.db2.gz	LRPKRBVATBTSBL-LBPRGKRZSA-N	1	0	352.416	1.477	20	30		FDEDRO
CC[N@H+](C)[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1ccccc1	ZINC000135383987	524136427	/nfs/dbraw/zinc/13/64/27/524136427.db2.gz	VKGPINSKBUVIER-KRWDZBQOSA-N	1	0	354.458	1.948	20	30		FDEDRO
CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000121081920	524147901	/nfs/dbraw/zinc/14/79/01/524147901.db2.gz	XDDPOLCYAPDXBW-GOSISDBHSA-N	1	0	356.470	1.915	20	30		FDEDRO
C=CCCC[N@@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000121121569	524157604	/nfs/dbraw/zinc/15/76/04/524157604.db2.gz	FSSWNDIEPJQYIT-ZIAGYGMSSA-N	1	0	353.488	1.798	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)Cc1ccccc1	ZINC000135677223	524162289	/nfs/dbraw/zinc/16/22/89/524162289.db2.gz	PDPHGNMAMAZDPE-MRXNPFEDSA-N	1	0	368.412	1.925	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cc(I)c[nH]2)CC1	ZINC000172217540	524164091	/nfs/dbraw/zinc/16/40/91/524164091.db2.gz	TTWQVKFZSHLNEX-UHFFFAOYSA-N	1	0	359.211	2.000	20	30		FDEDRO
COc1cc(CNC(=O)c2cc(C#N)cn2C)ccc1OCC[NH+](C)C	ZINC000081728999	524173762	/nfs/dbraw/zinc/17/37/62/524173762.db2.gz	NERPPJLPQCALJR-UHFFFAOYSA-N	1	0	356.426	1.776	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1	ZINC000081793066	524182907	/nfs/dbraw/zinc/18/29/07/524182907.db2.gz	JGWKGMLRSPEGFR-UHFFFAOYSA-N	1	0	367.453	1.775	20	30		FDEDRO
C#CCSCCNC(=O)N1CCN(C2CC[NH+](CCC)CC2)CC1	ZINC000121436440	524257130	/nfs/dbraw/zinc/25/71/30/524257130.db2.gz	VPMPZJYQOXFORV-UHFFFAOYSA-N	1	0	352.548	1.554	20	30		FDEDRO
C=CC[N@H+](C)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000121448832	524262655	/nfs/dbraw/zinc/26/26/55/524262655.db2.gz	ZFGWDKQBAYWJPW-UHFFFAOYSA-N	1	0	351.472	1.918	20	30		FDEDRO
CN(C(=O)CN1CCN(Cc2cscn2)CC1)C1(C#N)CCCCC1	ZINC000138931580	524268371	/nfs/dbraw/zinc/26/83/71/524268371.db2.gz	PIHSCSMEMYFARU-UHFFFAOYSA-N	1	0	361.515	1.946	20	30		FDEDRO
Cc1oc(C(=O)N(CCC#N)CCC[NH+](C)C)cc1S(=O)(=O)N(C)C	ZINC000084754001	524327749	/nfs/dbraw/zinc/32/77/49/524327749.db2.gz	XUTDPRLZEOSKDR-UHFFFAOYSA-N	1	0	370.475	1.146	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000173209430	524345219	/nfs/dbraw/zinc/34/52/19/524345219.db2.gz	ZLVNQTRMOCOJQS-HNNXBMFYSA-N	1	0	357.385	1.249	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C(=O)NC)ccc2C)CC1	ZINC000173276446	524360267	/nfs/dbraw/zinc/36/02/67/524360267.db2.gz	BERYKGJTEHKDNP-UHFFFAOYSA-N	1	0	358.442	1.060	20	30		FDEDRO
CN1CCO[C@H](CNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1	ZINC000111857418	524361043	/nfs/dbraw/zinc/36/10/43/524361043.db2.gz	UZQOZIMLLDTGKE-DAWZGUTISA-N	1	0	372.469	1.878	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc(-c2nnco2)c1	ZINC000122160309	524466646	/nfs/dbraw/zinc/46/66/46/524466646.db2.gz	FOHJAKKJZFBIFY-UHFFFAOYSA-N	1	0	370.413	1.369	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000088776904	524471368	/nfs/dbraw/zinc/47/13/68/524471368.db2.gz	GRTHUUHDQBUTNO-ZDUSSCGKSA-N	1	0	364.833	1.377	20	30		FDEDRO
Cc1nccn1CCCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000089120439	524477385	/nfs/dbraw/zinc/47/73/85/524477385.db2.gz	ARYSFORQWHKWOG-OAHLLOKOSA-N	1	0	362.478	1.462	20	30		FDEDRO
CC[NH+]=C(NC[C@H](O)c1ccccc1F)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158641457	524503187	/nfs/dbraw/zinc/50/31/87/524503187.db2.gz	RGXVQRWEIYLLTG-HNNXBMFYSA-N	1	0	371.478	1.334	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NC2CC[NH+](C)CC2)ccc1F	ZINC000174020539	524506937	/nfs/dbraw/zinc/50/69/37/524506937.db2.gz	SPQYOECXUFLQGY-UHFFFAOYSA-N	1	0	355.435	1.114	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3c(F)cc(C#N)cc3F)CC[C@@H]21	ZINC000122334176	524511823	/nfs/dbraw/zinc/51/18/23/524511823.db2.gz	SPIVCCKPDHXASZ-WFASDCNBSA-N	1	0	355.410	1.941	20	30		FDEDRO
CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)C1	ZINC000089676785	524519609	/nfs/dbraw/zinc/51/96/09/524519609.db2.gz	YMZXZXTXUMVYTG-KGLIPLIRSA-N	1	0	374.489	1.657	20	30		FDEDRO
O=C(NCC#Cc1ccccc1)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1	ZINC000089888933	524538343	/nfs/dbraw/zinc/53/83/43/524538343.db2.gz	MXHSVLITVXEPGT-NHCUHLMSSA-N	1	0	363.461	1.973	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CCN2CCN(c3cc[nH+]cc3)CC2)cc1	ZINC000151231618	524541671	/nfs/dbraw/zinc/54/16/71/524541671.db2.gz	GPJNZIGGOMACEG-UHFFFAOYSA-N	1	0	356.451	1.549	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(C#N)cc1	ZINC000151276152	524547529	/nfs/dbraw/zinc/54/75/29/524547529.db2.gz	GCTQSHGRRSTZGI-CYBMUJFWSA-N	1	0	354.414	1.132	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1	ZINC000158904506	524549191	/nfs/dbraw/zinc/54/91/91/524549191.db2.gz	WGBBGLKHGHQWDN-INIZCTEOSA-N	1	0	350.507	1.975	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCc2cc(C#N)ccc2F)CC1=O	ZINC000174429967	524575429	/nfs/dbraw/zinc/57/54/29/524575429.db2.gz	KQHLCOCDIRECEC-IAGOWNOFSA-N	1	0	372.444	1.646	20	30		FDEDRO
C=C(C)COCC[NH2+][C@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000090450792	524594165	/nfs/dbraw/zinc/59/41/65/524594165.db2.gz	JYXOBZQSNIPRNZ-MRXNPFEDSA-N	1	0	368.499	1.951	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@](C)(CC)COc1ncccc1Cl	ZINC000159154062	524605145	/nfs/dbraw/zinc/60/51/45/524605145.db2.gz	ULJNKHDFZZTPEX-MRXNPFEDSA-N	1	0	354.838	1.884	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C[N@@H+](C)CC)C2)c1	ZINC000174494978	524606191	/nfs/dbraw/zinc/60/61/91/524606191.db2.gz	ZPLVTAYYUFIDBA-OAHLLOKOSA-N	1	0	365.499	1.565	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CC[N@H+](CCO)CCOCC(F)(F)F	ZINC000112982899	524613231	/nfs/dbraw/zinc/61/32/31/524613231.db2.gz	XTFAVVYVEXAVNS-UHFFFAOYSA-N	1	0	359.348	1.760	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000151648004	524642019	/nfs/dbraw/zinc/64/20/19/524642019.db2.gz	DVELCTCVFRGWFP-CQSZACIVSA-N	1	0	366.487	1.073	20	30		FDEDRO
CCN1CC[NH+](CCCCNC(=O)C(=O)Nc2cccc(C)c2C#N)CC1	ZINC000174643436	524669504	/nfs/dbraw/zinc/66/95/04/524669504.db2.gz	HTJRLXQMOVXCLU-UHFFFAOYSA-N	1	0	371.485	1.339	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1	ZINC000151856428	524705926	/nfs/dbraw/zinc/70/59/26/524705926.db2.gz	HPGWAHOACWPTFH-OCCSQVGLSA-N	1	0	359.401	1.518	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1	ZINC000151869286	524711370	/nfs/dbraw/zinc/71/13/70/524711370.db2.gz	YOJGJJSHIBKCLM-BBRMVZONSA-N	1	0	370.453	1.282	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1	ZINC000174737891	524717759	/nfs/dbraw/zinc/71/77/59/524717759.db2.gz	LUQSMMZBNGPMKA-UHFFFAOYSA-N	1	0	373.428	1.767	20	30		FDEDRO
CCOC[C@H]1CCC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1	ZINC000091577660	524730172	/nfs/dbraw/zinc/73/01/72/524730172.db2.gz	BCCDKHJCRPXBRF-ROUUACIJSA-N	1	0	350.507	1.427	20	30		FDEDRO
COC(=O)[C@@H](C)CN(C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000114062884	524739816	/nfs/dbraw/zinc/73/98/16/524739816.db2.gz	BXTUGPWEQNCHEU-ZDUSSCGKSA-N	1	0	355.398	1.423	20	30		FDEDRO
CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000123491250	524761902	/nfs/dbraw/zinc/76/19/02/524761902.db2.gz	QAUCBBSFGNRQBA-UHFFFAOYSA-N	1	0	370.906	1.470	20	30		FDEDRO
C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@H]1CN(C)CCO1	ZINC000152388938	524868862	/nfs/dbraw/zinc/86/88/62/524868862.db2.gz	IIMRVSBEAFYKQS-VQIMIIECSA-N	1	0	373.501	1.351	20	30		FDEDRO
C=CCc1cc(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)cc(OC)c1O	ZINC000093046719	524948281	/nfs/dbraw/zinc/94/82/81/524948281.db2.gz	RWUSAMICPLNAPP-UHFFFAOYSA-N	1	0	373.497	1.869	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(C(=O)c2cccc(Cl)c2F)CC1	ZINC000152700733	524975469	/nfs/dbraw/zinc/97/54/69/524975469.db2.gz	ZJSCZZVCUFXQDU-UHFFFAOYSA-N	1	0	351.809	1.376	20	30		FDEDRO
N#Cc1ccc([C@H]([NH2+]C[C@H](c2cccs2)N2CCOCC2)C(N)=O)cc1	ZINC000115532006	525011229	/nfs/dbraw/zinc/01/12/29/525011229.db2.gz	RGQLXBLZLQDFFX-AEFFLSMTSA-N	1	0	370.478	1.809	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1	ZINC000153221597	525147780	/nfs/dbraw/zinc/14/77/80/525147780.db2.gz	JDSOMTPHYJZTRQ-UHFFFAOYSA-N	1	0	360.458	1.918	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ccccc3OC)C2=O)CC1	ZINC000176586557	525147990	/nfs/dbraw/zinc/14/79/90/525147990.db2.gz	PAXFURUPIQTCSP-INIZCTEOSA-N	1	0	372.469	1.750	20	30		FDEDRO
CC1CC[NH+](C[C@H](O)CNS(=O)(=O)c2ccc(F)c(C#N)c2)CC1	ZINC000161686566	525151173	/nfs/dbraw/zinc/15/11/73/525151173.db2.gz	NLQSVMHCLLZYOH-CQSZACIVSA-N	1	0	355.435	1.068	20	30		FDEDRO
C[NH+](C)CCCOC1CCN(S(=O)(=O)c2ccccc2C#N)CC1	ZINC000125161804	525154973	/nfs/dbraw/zinc/15/49/73/525154973.db2.gz	UOVXMWALCFHQSZ-UHFFFAOYSA-N	1	0	351.472	1.680	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N[C@H]1CCCN(c2ncccn2)C1	ZINC000176673042	525165857	/nfs/dbraw/zinc/16/58/57/525165857.db2.gz	ZLZRHUNMKGOPNS-NXOAAHMSSA-N	1	0	372.517	1.814	20	30		FDEDRO
COc1ccc(NC(=O)[C@H](C)[N@H+](C)CCCc2[nH]nc(N)c2C#N)cc1	ZINC000153321626	525178369	/nfs/dbraw/zinc/17/83/69/525178369.db2.gz	FRVMUHWGMQWJNE-LBPRGKRZSA-N	1	0	356.430	1.764	20	30		FDEDRO
C[NH+](C)CC(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1	ZINC000162214178	525227513	/nfs/dbraw/zinc/22/75/13/525227513.db2.gz	WOWLSBVNEXLCRG-HNNXBMFYSA-N	1	0	365.275	1.720	20	30		FDEDRO
CC(C)CN1CCO[C@@H](C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000177124991	525244299	/nfs/dbraw/zinc/24/42/99/525244299.db2.gz	DLCMZBTULPGQQK-ZDUSSCGKSA-N	1	0	373.425	1.472	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)[C@@H]1CCC[N@H+](C)C1	ZINC000153573168	525251401	/nfs/dbraw/zinc/25/14/01/525251401.db2.gz	POAAAJQCFKJMIS-MRXNPFEDSA-N	1	0	354.458	1.703	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC2(C#N)CCSCC2)CC1=O	ZINC000162471568	525266484	/nfs/dbraw/zinc/26/64/84/525266484.db2.gz	UTJYSUZPEZNUOH-CABCVRRESA-N	1	0	364.515	1.225	20	30		FDEDRO
C[NH+]=C(NCC(=O)N1CCN(c2ccccc2)CC1)NCc1ccco1	ZINC000103338197	525348702	/nfs/dbraw/zinc/34/87/02/525348702.db2.gz	LMPYGGIBCQMMAA-UHFFFAOYSA-N	1	0	355.442	1.293	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cnn(Cc3ccccc3)c2)CC1	ZINC000177957056	525365032	/nfs/dbraw/zinc/36/50/32/525365032.db2.gz	IUWKZBORJKVBFQ-UHFFFAOYSA-N	1	0	367.453	1.637	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCC(=O)NCCc2ccccc2)cc1OC	ZINC000104182943	525397285	/nfs/dbraw/zinc/39/72/85/525397285.db2.gz	OOTWANPJSRDFBI-UHFFFAOYSA-N	1	0	370.453	1.467	20	30		FDEDRO
C=C(C)CNC(=[NH2+])NCc1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000104190763	525399757	/nfs/dbraw/zinc/39/97/57/525399757.db2.gz	KLGUYILRTZYTKE-UHFFFAOYSA-N	1	0	350.488	1.842	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1	ZINC000163491505	525416033	/nfs/dbraw/zinc/41/60/33/525416033.db2.gz	IAMGWWVKPDTZMV-HNNXBMFYSA-N	1	0	356.474	1.506	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1	ZINC000178414868	525423726	/nfs/dbraw/zinc/42/37/26/525423726.db2.gz	SNCFSMMFZHYDTD-GOSISDBHSA-N	1	0	371.485	1.193	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1	ZINC000127655060	525446060	/nfs/dbraw/zinc/44/60/60/525446060.db2.gz	UNQVUCCIAROWDA-GDBMZVCRSA-N	1	0	363.483	1.153	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1	ZINC000127892516	525477790	/nfs/dbraw/zinc/47/77/90/525477790.db2.gz	VCXLUMMJGHDEMB-HOCLYGCPSA-N	1	0	363.483	1.153	20	30		FDEDRO
COC1CC[NH+](CCNS(=O)(=O)Cc2cc(C#N)ccc2F)CC1	ZINC000164322354	525495205	/nfs/dbraw/zinc/49/52/05/525495205.db2.gz	NHHQMEPCXURFKQ-UHFFFAOYSA-N	1	0	355.435	1.228	20	30		FDEDRO
CCc1[nH]c(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)c(C)c1C(=O)OC	ZINC000128210917	525516938	/nfs/dbraw/zinc/51/69/38/525516938.db2.gz	AAEWWQFCPNAOGA-UHFFFAOYSA-N	1	0	372.429	1.671	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CNC(=O)c2ccccc2C)c1C#N	ZINC000128204192	525516996	/nfs/dbraw/zinc/51/69/96/525516996.db2.gz	ZIJYIZSGPBOWCO-UHFFFAOYSA-N	1	0	354.414	1.110	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1	ZINC000154518026	525559932	/nfs/dbraw/zinc/55/99/32/525559932.db2.gz	WZFNVRDSSLSTSU-QKLQHJQFSA-N	1	0	369.513	1.575	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCN1CCN(S(=O)(=O)c2ccccc2C#N)CC1	ZINC000179401082	525575109	/nfs/dbraw/zinc/57/51/09/525575109.db2.gz	INGIYRPYZXQVFU-QGZVFWFLSA-N	1	0	362.499	1.349	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NCCC[NH+]2CCC(O)CC2)ccc1Cl	ZINC000118897319	525577361	/nfs/dbraw/zinc/57/73/61/525577361.db2.gz	FZHAEHDXNPILOX-UHFFFAOYSA-N	1	0	364.833	1.113	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(C(=O)C(C)(C)C)CC2)CC1	ZINC000106275072	525686601	/nfs/dbraw/zinc/68/66/01/525686601.db2.gz	QFAAYADBOGUDNE-UHFFFAOYSA-N	1	0	350.507	1.927	20	30		FDEDRO
CC[NH+](CC)CCOc1ccc(CNC(=O)N2CCO[C@H](C#N)C2)cc1	ZINC000106331262	525691986	/nfs/dbraw/zinc/69/19/86/525691986.db2.gz	OAJAYTFLKLSONS-GOSISDBHSA-N	1	0	360.458	1.841	20	30		FDEDRO
CCc1nn(C[C@@H](O)C[N@H+](C)Cc2ccccc2)c(=O)c(C#N)c1CC	ZINC000106363352	525702552	/nfs/dbraw/zinc/70/25/52/525702552.db2.gz	PEQVYNCFHQKLOQ-INIZCTEOSA-N	1	0	354.454	1.733	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@@H](O)COCc1ccccc1F	ZINC000119405234	525736345	/nfs/dbraw/zinc/73/63/45/525736345.db2.gz	OSALPKKAKDGFCL-CQSZACIVSA-N	1	0	361.421	1.445	20	30		FDEDRO
Cn1ccnc1[C@@H](O)C1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000119446322	525748152	/nfs/dbraw/zinc/74/81/52/525748152.db2.gz	CGEQTDWTJJJKAF-HKUYNNGSSA-N	1	0	370.453	1.477	20	30		FDEDRO
COc1ccccc1CNC(=[NH2+])NCc1ccnc(N2CCOCC2)c1	ZINC000170911496	525767820	/nfs/dbraw/zinc/76/78/20/525767820.db2.gz	LCSSFADDDCNUSU-UHFFFAOYSA-N	1	0	355.442	1.531	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NCc2cccnc2-n2cncn2)cc1OC	ZINC000170912309	525768242	/nfs/dbraw/zinc/76/82/42/525768242.db2.gz	JNHOYNIEIJJLKA-UHFFFAOYSA-N	1	0	353.386	1.606	20	30		FDEDRO
Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000181138506	525810827	/nfs/dbraw/zinc/81/08/27/525810827.db2.gz	ITWNKQOVWRURIT-ROUUACIJSA-N	1	0	372.517	1.856	20	30		FDEDRO
C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000171075358	525827708	/nfs/dbraw/zinc/82/77/08/525827708.db2.gz	BBXDUYLAHKJCPC-KBPBESRZSA-N	1	0	350.488	1.988	20	30		FDEDRO
C[C@H]1CCC[C@](CNC(=O)CNC(=O)c2ccc(C#N)cc2)([NH+](C)C)C1	ZINC000171115019	525853731	/nfs/dbraw/zinc/85/37/31/525853731.db2.gz	JJWPDVQLPQCNOR-YWZLYKJASA-N	1	0	356.470	1.915	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC[N@H+](C)C1CCCC1	ZINC000119880531	525896895	/nfs/dbraw/zinc/89/68/95/525896895.db2.gz	UVJREAVKAWKCDG-HNNXBMFYSA-N	1	0	371.489	1.443	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+]CCS(=O)(=O)c3ccc(F)cc3)n2c1	ZINC000132613054	525980155	/nfs/dbraw/zinc/98/01/55/525980155.db2.gz	IUSBALGLBPQLAJ-UHFFFAOYSA-N	1	0	358.398	1.909	20	30		FDEDRO
Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](CC(N)=O)C2CCOCC2)c(C#N)c1C	ZINC000181940099	525991943	/nfs/dbraw/zinc/99/19/43/525991943.db2.gz	XWJJCOGBNSXOTF-ABAIWWIYSA-N	1	0	362.430	1.355	20	30		FDEDRO
C[C@@H]([NH2+][C@H](CC(N)=O)C1CCOCC1)C(=O)N(CCC#N)c1ccccc1	ZINC000181962354	526000619	/nfs/dbraw/zinc/00/06/19/526000619.db2.gz	QFKOYJOJSLJIOY-CRAIPNDOSA-N	1	0	372.469	1.582	20	30		FDEDRO
N#CCCn1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1	ZINC000155930737	526012290	/nfs/dbraw/zinc/01/22/90/526012290.db2.gz	ZXKWGHSEWBIKHR-GOEBONIOSA-N	1	0	370.457	1.211	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1	ZINC000108784161	526023396	/nfs/dbraw/zinc/02/33/96/526023396.db2.gz	AWIVLFFSBVJZKD-INIZCTEOSA-N	1	0	361.467	1.074	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Cc2c(C)nc3c(c(=O)[nH]n3C)c2C)CC1	ZINC000171565977	526039634	/nfs/dbraw/zinc/03/96/34/526039634.db2.gz	QUSYSXICYXIVKU-UHFFFAOYSA-N	1	0	357.458	1.188	20	30		FDEDRO
COc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ncn1	ZINC000182162310	526077343	/nfs/dbraw/zinc/07/73/43/526077343.db2.gz	XFXSAKCPAAFPEM-UHFFFAOYSA-N	1	0	354.414	1.953	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)C3(C#N)CCOCC3)cc2F)CC1	ZINC000109142771	526082214	/nfs/dbraw/zinc/08/22/14/526082214.db2.gz	RTBJMXSNRKYVMX-UHFFFAOYSA-N	1	0	374.460	1.904	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)CC1	ZINC000171719384	526092040	/nfs/dbraw/zinc/09/20/40/526092040.db2.gz	ZNOQRLBBYMCHJP-AWEZNQCLSA-N	1	0	355.442	1.091	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1	ZINC000171724392	526095519	/nfs/dbraw/zinc/09/55/19/526095519.db2.gz	YVOXIBNAOZUQAF-UHFFFAOYSA-N	1	0	363.483	1.508	20	30		FDEDRO
C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC	ZINC000133881492	526103982	/nfs/dbraw/zinc/10/39/82/526103982.db2.gz	IBMMOTXFHAWNSL-CQSZACIVSA-N	1	0	360.458	1.466	20	30		FDEDRO
Cn1cc(C(=O)NCC2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)cn1	ZINC000156471753	526143626	/nfs/dbraw/zinc/14/36/26/526143626.db2.gz	YCTVMGCSTRXMNZ-LJQANCHMSA-N	1	0	367.453	1.467	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CCNC(=O)N2CCc3ccccc3C2)CC1	ZINC000171871041	526160732	/nfs/dbraw/zinc/16/07/32/526160732.db2.gz	VRCOSGDDIZTCBR-UHFFFAOYSA-N	1	0	370.497	1.911	20	30		FDEDRO
CCC[N@H+](CC)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000120898149	526214807	/nfs/dbraw/zinc/21/48/07/526214807.db2.gz	ZELOPCUDLLMGFL-AWEZNQCLSA-N	1	0	366.487	1.073	20	30		FDEDRO
CO[C@@H]1CCC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000182748826	535856919	/nfs/dbraw/zinc/85/69/19/535856919.db2.gz	MIHLRFMSCMDHEF-MOPGFXCFSA-N	1	0	374.460	1.645	20	30		FDEDRO
CC[C@H]([NH2+]CC(=O)N(CC)C[C@@H](C)C#N)c1cccc(S(N)(=O)=O)c1	ZINC000183015137	535904089	/nfs/dbraw/zinc/90/40/89/535904089.db2.gz	ZLNCZPHOUUDMED-BBRMVZONSA-N	1	0	366.487	1.383	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)c(Cl)c1	ZINC000183682404	536029320	/nfs/dbraw/zinc/02/93/20/536029320.db2.gz	BMJCEKKUKWZOQP-UHFFFAOYSA-N	1	0	357.863	1.337	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1	ZINC000184710755	536177572	/nfs/dbraw/zinc/17/75/72/536177572.db2.gz	JELPSFISBJYIJW-KRWDZBQOSA-N	1	0	369.465	1.972	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC3(CC2)[C@@H](O)C[C@@H]3OCC)CC1	ZINC000185386331	536207155	/nfs/dbraw/zinc/20/71/55/536207155.db2.gz	RKQGBAWWVIHCGL-IRXDYDNUSA-N	1	0	351.491	1.598	20	30		FDEDRO
N#C[C@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000185828019	536218715	/nfs/dbraw/zinc/21/87/15/536218715.db2.gz	HGDHOYWFSBYNJG-STQMWFEESA-N	1	0	352.416	1.545	20	30		FDEDRO
C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000186689627	536241252	/nfs/dbraw/zinc/24/12/52/536241252.db2.gz	WEPOOJVIWWXZDL-GDBMZVCRSA-N	1	0	354.472	1.295	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1	ZINC000187103940	536254650	/nfs/dbraw/zinc/25/46/50/536254650.db2.gz	AICDPBHHHDGHGB-UHFFFAOYSA-N	1	0	356.470	1.968	20	30		FDEDRO
CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(C#N)cn1C	ZINC000187219528	536258284	/nfs/dbraw/zinc/25/82/84/536258284.db2.gz	QHHXDTYVBHCTGR-FQEVSTJZSA-N	1	0	352.438	1.606	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N[C@H]1CCOc2ccccc21	ZINC000262792887	536902181	/nfs/dbraw/zinc/90/21/81/536902181.db2.gz	ORUULBRYVBXEQQ-ZBFHGGJFSA-N	1	0	354.458	1.838	20	30		FDEDRO
C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000246220193	536902810	/nfs/dbraw/zinc/90/28/10/536902810.db2.gz	YZIMCRSPOPOQJD-ANGOMJCTSA-N	1	0	362.474	1.386	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@]2(CO)C[C@@H](OCC)C2(C)C)CC1	ZINC000188565622	536902847	/nfs/dbraw/zinc/90/28/47/536902847.db2.gz	GVHMDMOUJWUDIE-APWZRJJASA-N	1	0	353.507	1.892	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](N3CCC[C@@H](C[NH+]4CCOCC4)C3)C2=O)cc1	ZINC000246603656	536989681	/nfs/dbraw/zinc/98/96/81/536989681.db2.gz	KUPSAPMQEJGICS-AZUAARDMSA-N	1	0	368.481	1.708	20	30		FDEDRO
CC[NH+]=C(NCCNc1ccc2ccccc2n1)N1CCN(C(C)=O)CC1	ZINC000263278764	537007548	/nfs/dbraw/zinc/00/75/48/537007548.db2.gz	ZJBICWKKNLTHMO-UHFFFAOYSA-N	1	0	368.485	1.776	20	30		FDEDRO
C[C@H](O)C[NH+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1	ZINC000189348702	537031550	/nfs/dbraw/zinc/03/15/50/537031550.db2.gz	VFHCQJULCUENOF-ZDUSSCGKSA-N	1	0	362.499	1.435	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)CN2CC[NH+](C[C@H](C)O)CC2)c(OC)c1	ZINC000189355734	537032084	/nfs/dbraw/zinc/03/20/84/537032084.db2.gz	CVRSBKTYFJWTCX-FUHWJXTLSA-N	1	0	364.486	1.162	20	30		FDEDRO
Cn1ccnc1C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000247322406	537108052	/nfs/dbraw/zinc/10/80/52/537108052.db2.gz	SRPKMDMSJJFPFS-ZWKOTPCHSA-N	1	0	354.454	1.986	20	30		FDEDRO
C=CCSCCNC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000263860898	537120501	/nfs/dbraw/zinc/12/05/01/537120501.db2.gz	IAYTVSUYVOQMCX-UHFFFAOYSA-N	1	0	364.515	1.696	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C	ZINC000189995351	537125485	/nfs/dbraw/zinc/12/54/85/537125485.db2.gz	VQSHXZNPQQMORQ-OWCLPIDISA-N	1	0	354.495	1.113	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1cc(F)ccc1Br	ZINC000264055177	537136505	/nfs/dbraw/zinc/13/65/05/537136505.db2.gz	ANGMBRBMCJSZQS-UHFFFAOYSA-N	1	0	373.270	1.715	20	30		FDEDRO
Cc1ccc(Br)cc1CNC(=[NH2+])NCCCN1CCOCC1	ZINC000190089288	537138420	/nfs/dbraw/zinc/13/84/20/537138420.db2.gz	BXCIVSONEHOBMT-UHFFFAOYSA-N	1	0	369.307	1.884	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1	ZINC000264164423	537138836	/nfs/dbraw/zinc/13/88/36/537138836.db2.gz	GLAKEFJWVXWJJD-KBPBESRZSA-N	1	0	368.478	1.576	20	30		FDEDRO
CCNC(NCCc1ccc(S(=O)(=O)N(CC)CC)s1)=[NH+]CC	ZINC000264291014	537140003	/nfs/dbraw/zinc/14/00/03/537140003.db2.gz	PTSHWRBIHBQUAU-UHFFFAOYSA-N	1	0	360.549	1.896	20	30		FDEDRO
C=C(C)COc1cccc(NC(=O)C(=O)N(CCOC)CC[NH+](C)C)c1	ZINC000264295836	537141022	/nfs/dbraw/zinc/14/10/22/537141022.db2.gz	VZSQXRHYLRKPLO-UHFFFAOYSA-N	1	0	363.458	1.617	20	30		FDEDRO
N#Cc1ccc(CN2CCC[N@@H+](C[C@@H](O)COC[C@H]3CCCO3)CC2)cc1	ZINC000247638679	537141365	/nfs/dbraw/zinc/14/13/65/537141365.db2.gz	FTZREEDURQMOAE-NHCUHLMSSA-N	1	0	373.497	1.622	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1	ZINC000264384581	537143583	/nfs/dbraw/zinc/14/35/83/537143583.db2.gz	MADFWSNNWSUKRB-UHFFFAOYSA-N	1	0	367.471	1.534	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CCNS(=O)(=O)CCCCC#N)cc1	ZINC000264559638	537145557	/nfs/dbraw/zinc/14/55/57/537145557.db2.gz	MOKUJPFAQKXVSR-UHFFFAOYSA-N	1	0	353.488	1.783	20	30		FDEDRO
C#CCNC(=O)c1ccc(N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)nc1	ZINC000264887528	537149119	/nfs/dbraw/zinc/14/91/19/537149119.db2.gz	SMQFTPQGSQTNSF-SFHVURJKSA-N	1	0	355.486	1.051	20	30		FDEDRO
C[C@H]([NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)C(=O)N(C)CCC#N	ZINC000264873879	537149156	/nfs/dbraw/zinc/14/91/56/537149156.db2.gz	PHKARXGXMVYCAD-GJZGRUSLSA-N	1	0	372.469	1.755	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H](CCSC)NC(N)=O)C(C)C	ZINC000264947843	537150603	/nfs/dbraw/zinc/15/06/03/537150603.db2.gz	XKXSNXDRSMVSOB-GJZGRUSLSA-N	1	0	356.536	1.591	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1	ZINC000265136054	537151272	/nfs/dbraw/zinc/15/12/72/537151272.db2.gz	IDCRNRQZWKUWJX-IBGZPJMESA-N	1	0	372.513	1.770	20	30		FDEDRO
Cc1cc(C)nc(-n2nccc2NC(=O)N(CCC#N)CCC[NH+](C)C)n1	ZINC000190354540	537167445	/nfs/dbraw/zinc/16/74/45/537167445.db2.gz	OCXKNOXPBGJEEE-UHFFFAOYSA-N	1	0	370.461	1.978	20	30		FDEDRO
C#CCN(CC#C)C(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1	ZINC000190433814	537173182	/nfs/dbraw/zinc/17/31/82/537173182.db2.gz	OIJJDNBGOWMKPD-UHFFFAOYSA-N	1	0	367.449	1.585	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CCC(Oc2ccc(F)nc2)CC1	ZINC000190491568	537175139	/nfs/dbraw/zinc/17/51/39/537175139.db2.gz	FMKCTBYPDCSOQK-LBPRGKRZSA-N	1	0	350.394	1.464	20	30		FDEDRO
C[NH+]1CCC(O)(CNC(=O)Nc2cc(C#N)ccc2OC(F)F)CC1	ZINC000265955903	537181508	/nfs/dbraw/zinc/18/15/08/537181508.db2.gz	RKDYIGRZXYDGEQ-UHFFFAOYSA-N	1	0	354.357	1.738	20	30		FDEDRO
C[C@H](CO)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@H](C)O	ZINC000249001423	537224727	/nfs/dbraw/zinc/22/47/27/537224727.db2.gz	YUHDYCCFXBBARB-OLZOCXBDSA-N	1	0	365.499	1.891	20	30		FDEDRO
CN(C(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1)C1(C#N)CCCCC1	ZINC000193088661	537239769	/nfs/dbraw/zinc/23/97/69/537239769.db2.gz	BIECLQYBDQYWRH-QGZVFWFLSA-N	1	0	360.502	1.909	20	30		FDEDRO
CC[NH+](CC)CCCN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000193466701	537248637	/nfs/dbraw/zinc/24/86/37/537248637.db2.gz	SWYBGQPGNPCLCC-UHFFFAOYSA-N	1	0	364.515	1.596	20	30		FDEDRO
CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)Nc3ccc(C#N)cn3)C2)CC1	ZINC000292975835	537267406	/nfs/dbraw/zinc/26/74/06/537267406.db2.gz	CQOMFHPPRTURGA-QGZVFWFLSA-N	1	0	369.469	1.862	20	30		FDEDRO
C=CCn1c(C2CC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1	ZINC000282243163	537282125	/nfs/dbraw/zinc/28/21/25/537282125.db2.gz	KEZYRQFAFAALLL-QGZVFWFLSA-N	1	0	366.469	1.690	20	30		FDEDRO
C#CC[C@@H](NC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1	ZINC000270175105	537292240	/nfs/dbraw/zinc/29/22/40/537292240.db2.gz	DANZNZWHOUDTBO-RTBURBONSA-N	1	0	370.497	1.993	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)nc1	ZINC000293016126	537293430	/nfs/dbraw/zinc/29/34/30/537293430.db2.gz	KXXJQXXPKFHYCZ-UHFFFAOYSA-N	1	0	363.421	1.456	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC1(C)CC[NH+](C)CC1	ZINC000272558349	537300035	/nfs/dbraw/zinc/30/00/35/537300035.db2.gz	SQKABIISQSJTHZ-UHFFFAOYSA-N	1	0	368.485	1.999	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCC([N@H+](C)CCCO)CC1	ZINC000270377762	537317916	/nfs/dbraw/zinc/31/79/16/537317916.db2.gz	NUTWHOWHHZYWKO-UHFFFAOYSA-N	1	0	361.442	1.251	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C	ZINC000276184555	537323202	/nfs/dbraw/zinc/32/32/02/537323202.db2.gz	XUDWXHWCIBAYNS-CJNGLKHVSA-N	1	0	361.417	1.575	20	30		FDEDRO
CN1CC[NH+](CC2(C)CCN(C(=O)COc3ccccc3C#N)CC2)CC1	ZINC000363816414	537324637	/nfs/dbraw/zinc/32/46/37/537324637.db2.gz	HMKDOHCHFIHFHU-UHFFFAOYSA-N	1	0	370.497	1.813	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000283073907	537349622	/nfs/dbraw/zinc/34/96/22/537349622.db2.gz	VBFPFIZZABQXHA-DOTOQJQBSA-N	1	0	350.488	1.719	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@H]([C@@H](C)O)C1)C(C)C	ZINC000283072023	537350420	/nfs/dbraw/zinc/35/04/20/537350420.db2.gz	FOSOWVNOTZUNIW-BRWVUGGUSA-N	1	0	351.491	1.031	20	30		FDEDRO
C#CCN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1	ZINC000298891685	537357809	/nfs/dbraw/zinc/35/78/09/537357809.db2.gz	AKFTYAVKGUSSRF-UHFFFAOYSA-N	1	0	369.387	1.687	20	30		FDEDRO
Cn1c(CC#N)nnc1SCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C	ZINC000279929013	537359645	/nfs/dbraw/zinc/35/96/45/537359645.db2.gz	LFMSQVCLKXVLKO-AWEZNQCLSA-N	1	0	358.471	1.392	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(CC)CCC[NH+](C)C)c1	ZINC000276245894	537361237	/nfs/dbraw/zinc/36/12/37/537361237.db2.gz	PUTFZNJPXSFURH-UHFFFAOYSA-N	1	0	353.488	1.565	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCSC(F)(F)F)CC1	ZINC000283936397	537393509	/nfs/dbraw/zinc/39/35/09/537393509.db2.gz	FFGYJDSQSWSJCZ-UHFFFAOYSA-N	1	0	353.410	1.512	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ncc(Cc2ccccc2)s1	ZINC000293195618	537383993	/nfs/dbraw/zinc/38/39/93/537383993.db2.gz	ADXRJZZTFHHYMB-UHFFFAOYSA-N	1	0	370.478	1.744	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(C[C@@H](C(CC)CC)[NH+]2CCOCC2)C1=O	ZINC000348504224	537389548	/nfs/dbraw/zinc/38/95/48/537389548.db2.gz	YGOOCGVGMBEEMZ-CVEARBPZSA-N	1	0	353.463	1.246	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)nn1CCC#N	ZINC000271017337	537394145	/nfs/dbraw/zinc/39/41/45/537394145.db2.gz	FKQQWSWXDATVTK-KUHUBIRLSA-N	1	0	374.489	1.670	20	30		FDEDRO
C=CCN1CC[C@H](N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1=O	ZINC000286008674	537400998	/nfs/dbraw/zinc/40/09/98/537400998.db2.gz	PGTUTZANQBPPCA-SFTDATJTSA-N	1	0	368.525	1.665	20	30		FDEDRO
C#CCNC(=O)CC[NH+]1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1	ZINC000293326987	537416117	/nfs/dbraw/zinc/41/61/17/537416117.db2.gz	COIHLQFHSROLLB-UHFFFAOYSA-N	1	0	359.445	1.602	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccc(Cl)nc2)CC1	ZINC000286338796	537432648	/nfs/dbraw/zinc/43/26/48/537432648.db2.gz	AUWBHUKYCVAZPY-UHFFFAOYSA-N	1	0	364.877	1.850	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)Cc2cccc(C#N)c2)CC1	ZINC000286339120	537433317	/nfs/dbraw/zinc/43/33/17/537433317.db2.gz	AXVAMPHJCLHNBC-UHFFFAOYSA-N	1	0	354.454	1.673	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCCN(C(=O)c3ccccn3)CC2)CC1	ZINC000365189693	537449668	/nfs/dbraw/zinc/44/96/68/537449668.db2.gz	WSTNHGPKNOESMS-UHFFFAOYSA-N	1	0	371.485	1.590	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1	ZINC000293447682	537465510	/nfs/dbraw/zinc/46/55/10/537465510.db2.gz	SEIFWJATNYIMRS-GOSISDBHSA-N	1	0	373.453	1.254	20	30		FDEDRO
C[C@@H]1[C@@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)CC[N@@H+]1Cc1ccccc1	ZINC000288208629	537466241	/nfs/dbraw/zinc/46/62/41/537466241.db2.gz	LLHPVESBDIRIKR-CJNGLKHVSA-N	1	0	353.426	1.031	20	30		FDEDRO
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)n1	ZINC000271692709	537475182	/nfs/dbraw/zinc/47/51/82/537475182.db2.gz	UROBKEGEVAPLKW-HNNXBMFYSA-N	1	0	372.473	1.535	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1)C(C)C	ZINC000280913577	537481468	/nfs/dbraw/zinc/48/14/68/537481468.db2.gz	GABKTASZCCLTIV-IKGGRYGDSA-N	1	0	364.490	1.825	20	30		FDEDRO
C[C@H](C#N)CN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1	ZINC000299222639	537492147	/nfs/dbraw/zinc/49/21/47/537492147.db2.gz	XEIQVJMBJPTCPJ-CYBMUJFWSA-N	1	0	366.412	1.473	20	30		FDEDRO
C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)C2)C1	ZINC000293521031	537499207	/nfs/dbraw/zinc/49/92/07/537499207.db2.gz	YPBAFGYUAKBOLJ-IBGZPJMESA-N	1	0	372.473	1.393	20	30		FDEDRO
C=CC[NH+]1CCC(Nc2ccc(C(=O)CC)cc2S(N)(=O)=O)CC1	ZINC000281110598	537500990	/nfs/dbraw/zinc/50/09/90/537500990.db2.gz	GIMYJDGUJZWMHZ-UHFFFAOYSA-N	1	0	351.472	1.989	20	30		FDEDRO
CC(C)n1nc2c(cc1=O)C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)CC2	ZINC000365389023	537505155	/nfs/dbraw/zinc/50/51/55/537505155.db2.gz	GRHLZPAKFPVMJI-QGZVFWFLSA-N	1	0	368.437	1.494	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1	ZINC000275728829	537559470	/nfs/dbraw/zinc/55/94/70/537559470.db2.gz	TZJHZHAIHCRBTA-CQSZACIVSA-N	1	0	361.417	1.576	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(OC2COC2)cc1	ZINC000275802292	537575188	/nfs/dbraw/zinc/57/51/88/537575188.db2.gz	HSGXIJSFQCNQTI-UHFFFAOYSA-N	1	0	374.441	1.097	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)CC1	ZINC000281783374	537583177	/nfs/dbraw/zinc/58/31/77/537583177.db2.gz	ZKDPTDWLIVDKCK-UHFFFAOYSA-N	1	0	370.453	1.519	20	30		FDEDRO
C=CCCCCC[N@@H+]1CCc2nn(CC(=O)N3CCCC3)c(=O)cc2C1	ZINC000365863301	537596991	/nfs/dbraw/zinc/59/69/91/537596991.db2.gz	PVYXAHLZRVISAQ-UHFFFAOYSA-N	1	0	358.486	1.970	20	30		FDEDRO
C[NH+]1CCC(N(Cc2ccco2)S(=O)(=O)c2cncc(C#N)c2)CC1	ZINC000289867440	537610091	/nfs/dbraw/zinc/61/00/91/537610091.db2.gz	QPGXPVBOLRYBMD-UHFFFAOYSA-N	1	0	360.439	1.831	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(F)c1)S(=O)(=O)c1cncc(C#N)c1	ZINC000289905214	537622354	/nfs/dbraw/zinc/62/23/54/537622354.db2.gz	STEOWJCDXQZLCH-UHFFFAOYSA-N	1	0	362.430	1.845	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c1	ZINC000237441042	537628263	/nfs/dbraw/zinc/62/82/63/537628263.db2.gz	GABGZMPERCKTDX-BBRMVZONSA-N	1	0	351.472	1.493	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)cc1	ZINC000293956899	537631709	/nfs/dbraw/zinc/63/17/09/537631709.db2.gz	KQNDQMIRKGQSAS-OKILXGFUSA-N	1	0	351.472	1.316	20	30		FDEDRO
CC[C@H](C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1)N1CCCC1=O	ZINC000329167888	537634891	/nfs/dbraw/zinc/63/48/91/537634891.db2.gz	IWOKEQBTHPMNQC-HUUCEWRRSA-N	1	0	350.463	1.039	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@@H]3COc4ccccc4O3)C2)CC1	ZINC000329175996	537635417	/nfs/dbraw/zinc/63/54/17/537635417.db2.gz	MQOJQBFCSUEOBU-IAGOWNOFSA-N	1	0	374.485	1.452	20	30		FDEDRO
CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CC[NH+](C3CCC3)CC2)C1	ZINC000329549452	537638620	/nfs/dbraw/zinc/63/86/20/537638620.db2.gz	FEXHPWFIZRTFJF-INIZCTEOSA-N	1	0	350.507	1.965	20	30		FDEDRO
CC(C)(C)n1cnc(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)n1	ZINC000329550032	537638778	/nfs/dbraw/zinc/63/87/78/537638778.db2.gz	JDCAIQDQNFNDAI-ZDUSSCGKSA-N	1	0	350.467	1.860	20	30		FDEDRO
Cc1noc(CNC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)n1	ZINC000329829374	537643502	/nfs/dbraw/zinc/64/35/02/537643502.db2.gz	JJLNPWLSLGPOLY-UHFFFAOYSA-N	1	0	350.467	1.142	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC[N@@H+]1C	ZINC000329831942	537643550	/nfs/dbraw/zinc/64/35/50/537643550.db2.gz	TUVZMSGFJCEZJI-NVXWUHKLSA-N	1	0	360.506	1.320	20	30		FDEDRO
CCn1ncnc1CNC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1	ZINC000330030220	537650221	/nfs/dbraw/zinc/65/02/21/537650221.db2.gz	RFXNPODKRTUHJL-HZPDHXFCSA-N	1	0	363.510	1.202	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)CN1C(=S)N=NC1c1ccc(OC)cc1	ZINC000294082916	537654096	/nfs/dbraw/zinc/65/40/96/537654096.db2.gz	WXIFFTXEEPDFNM-UHFFFAOYSA-N	1	0	373.482	1.314	20	30		FDEDRO
C[C@@H]1CS(=O)(=O)CCN1C(=O)NCc1ccc(C[NH+](C)C)c(F)c1	ZINC000330511825	537657576	/nfs/dbraw/zinc/65/75/76/537657576.db2.gz	FNHQPKOQANXZMS-GFCCVEGCSA-N	1	0	357.451	1.420	20	30		FDEDRO
C#CCO[C@H](C)C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000294566363	537705996	/nfs/dbraw/zinc/70/59/96/537705996.db2.gz	XAQAKYWESDRJBR-QGZVFWFLSA-N	1	0	359.470	1.362	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1	ZINC000292306941	537726818	/nfs/dbraw/zinc/72/68/18/537726818.db2.gz	SFSRYBNAAGAQDM-GOSISDBHSA-N	1	0	363.483	1.319	20	30		FDEDRO
CN(C)C(=O)[C@H]1CC[C@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)O1	ZINC000375840471	537780084	/nfs/dbraw/zinc/78/00/84/537780084.db2.gz	PJDPHGMMBKYRMO-RTBURBONSA-N	1	0	356.470	1.752	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)nc1	ZINC000397705474	537792917	/nfs/dbraw/zinc/79/29/17/537792917.db2.gz	WZMAIOWEQKIELJ-UHFFFAOYSA-N	1	0	350.422	1.710	20	30		FDEDRO
N#Cc1ncn(C2CC[NH+](CCCOc3ccc4c(c3)OCO4)CC2)n1	ZINC000375925783	537802008	/nfs/dbraw/zinc/80/20/08/537802008.db2.gz	BPBQPZQURLIBHY-UHFFFAOYSA-N	1	0	355.398	1.984	20	30		FDEDRO
C[C@]1(NS(=O)(=O)c2ccc(C#N)nc2)CC[N@H+](Cc2ccccc2)C1	ZINC000405973335	537810681	/nfs/dbraw/zinc/81/06/81/537810681.db2.gz	WECGYERAFVEDMK-SFHVURJKSA-N	1	0	356.451	1.896	20	30		FDEDRO
CC(C)N1CC[NH+](C2CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC2)CC1	ZINC000371343191	537820560	/nfs/dbraw/zinc/82/05/60/537820560.db2.gz	FTCJPNRECFWDED-FQEVSTJZSA-N	1	0	363.550	1.531	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000366701293	537825681	/nfs/dbraw/zinc/82/56/81/537825681.db2.gz	NJGCBGUNEPRUSM-BQFCYCMXSA-N	1	0	351.491	1.768	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1	ZINC000366710170	537829047	/nfs/dbraw/zinc/82/90/47/537829047.db2.gz	OUDBMPMIMIRDAS-KSZLIROESA-N	1	0	350.507	1.389	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)NCCSCc2ccccc2C#N)CC[C@H]1[NH3+]	ZINC000418909980	537837987	/nfs/dbraw/zinc/83/79/87/537837987.db2.gz	AUJBPLHPRPQNMB-CZUORRHYSA-N	1	0	360.483	1.103	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH+]1CCC2(C[C@@H]2c2nnc3n2CCCCC3)CC1	ZINC000376578493	537852036	/nfs/dbraw/zinc/85/20/36/537852036.db2.gz	CBZMNAJFOBYLRU-JKSUJKDBSA-N	1	0	355.486	1.712	20	30		FDEDRO
COC(=O)[C@@H]1CN(Cc2nnc(-c3cccc(C#N)c3)o2)CC[N@H+](C)C1	ZINC000411907460	537896712	/nfs/dbraw/zinc/89/67/12/537896712.db2.gz	PHIFTKYWDUHSMB-HNNXBMFYSA-N	1	0	355.398	1.145	20	30		FDEDRO
COC(=O)[C@H]1CN(CC(=O)Nc2sc(C)c(C)c2C#N)CC[N@H+](C)C1	ZINC000411919162	537902809	/nfs/dbraw/zinc/90/28/09/537902809.db2.gz	PNMKBGWHXIXWLA-CYBMUJFWSA-N	1	0	364.471	1.212	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)c1	ZINC000419076264	537927457	/nfs/dbraw/zinc/92/74/57/537927457.db2.gz	HCDXWCMRMAVQCJ-UHFFFAOYSA-N	1	0	350.422	1.552	20	30		FDEDRO
CN(CC(=O)Nc1cccc(C#N)c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000367116722	537940712	/nfs/dbraw/zinc/94/07/12/537940712.db2.gz	GWGGZNVCVMPFJE-LJQANCHMSA-N	1	0	355.486	1.597	20	30		FDEDRO
C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1	ZINC000415035824	537954851	/nfs/dbraw/zinc/95/48/51/537954851.db2.gz	LATHPCNHSDQRDV-SNVBAGLBSA-N	1	0	359.348	1.403	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCC(c3c[nH]cn3)CC2)CC1	ZINC000367615949	537967228	/nfs/dbraw/zinc/96/72/28/537967228.db2.gz	FAPQAXKVPPQZNM-GOSISDBHSA-N	1	0	358.490	1.281	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)CC1	ZINC000368526344	537982788	/nfs/dbraw/zinc/98/27/88/537982788.db2.gz	KREPBFHIXHTRDI-UHFFFAOYSA-N	1	0	374.485	1.187	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NC1CC[NH+](CCc2ccncc2)CC1	ZINC000369216095	538003935	/nfs/dbraw/zinc/00/39/35/538003935.db2.gz	SRGPZQLMVYEEKQ-OAHLLOKOSA-N	1	0	365.503	1.157	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CCC[N@@H+]1CCc1ccccc1	ZINC000369212113	538004028	/nfs/dbraw/zinc/00/40/28/538004028.db2.gz	ALQDJYICJAKRML-SJLPKXTDSA-N	1	0	364.515	1.762	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CC[NH2+]C1	ZINC000415323795	538007833	/nfs/dbraw/zinc/00/78/33/538007833.db2.gz	BNWXAAGPVKTQBA-NSHDSACASA-N	1	0	368.231	1.431	20	30		FDEDRO
Cc1cc(NC(=O)N2C[C@H]3OCCN(C)[C@H]3C2)nn1-c1cccc(C#N)c1	ZINC000377816700	538028996	/nfs/dbraw/zinc/02/89/96/538028996.db2.gz	KJAMJWXLKCXHIL-DLBZAZTESA-N	1	0	366.425	1.599	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)CC[NH2+]1	ZINC000415425594	538043283	/nfs/dbraw/zinc/04/32/83/538043283.db2.gz	CSWGQRMXUPJGKQ-NSHDSACASA-N	1	0	355.423	1.441	20	30		FDEDRO
C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1	ZINC000419636091	538088506	/nfs/dbraw/zinc/08/85/06/538088506.db2.gz	JKGWRRIHAYJOKR-HNNXBMFYSA-N	1	0	362.433	1.662	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c1	ZINC000373061450	538089857	/nfs/dbraw/zinc/08/98/57/538089857.db2.gz	ZETBCINJMKGVES-BXUZGUMPSA-N	1	0	370.272	1.693	20	30		FDEDRO
C=C(C)[C@@H](NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)c1ccc(F)c(F)c1	ZINC000419681060	538090143	/nfs/dbraw/zinc/09/01/43/538090143.db2.gz	ROHMVXNYFLKHHC-CRAIPNDOSA-N	1	0	351.397	1.896	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1C#N	ZINC000415872558	538090407	/nfs/dbraw/zinc/09/04/07/538090407.db2.gz	RSVNPWKDTPZGFO-NUEKZKHPSA-N	1	0	370.453	1.788	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1	ZINC000422021942	538133739	/nfs/dbraw/zinc/13/37/39/538133739.db2.gz	NPJWLPVWGLTDBP-HNNXBMFYSA-N	1	0	351.472	1.317	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1	ZINC000420080193	538207434	/nfs/dbraw/zinc/20/74/34/538207434.db2.gz	GDKWHEVNMSNNSH-SFHVURJKSA-N	1	0	356.470	1.931	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCOCC2CCCC2)CC1	ZINC000422292047	538216559	/nfs/dbraw/zinc/21/65/59/538216559.db2.gz	FYIVAKHYRHSUJX-UHFFFAOYSA-N	1	0	351.491	1.466	20	30		FDEDRO
CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000433344485	538227672	/nfs/dbraw/zinc/22/76/72/538227672.db2.gz	RXBUMIHITJXDII-DLBZAZTESA-N	1	0	352.442	1.863	20	30		FDEDRO
CC(C)(CC#N)CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000422331043	538229212	/nfs/dbraw/zinc/22/92/12/538229212.db2.gz	WTFOKLFYSKCLHL-KRWDZBQOSA-N	1	0	356.470	1.823	20	30		FDEDRO
COc1cc(C(=O)N2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)ccc1C	ZINC000424091315	538231869	/nfs/dbraw/zinc/23/18/69/538231869.db2.gz	MLNHBYIGANWLDM-INIZCTEOSA-N	1	0	358.442	1.309	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2	ZINC000424119091	538239412	/nfs/dbraw/zinc/23/94/12/538239412.db2.gz	FCMMJXATFAAPEV-DLBZAZTESA-N	1	0	370.453	1.962	20	30		FDEDRO
CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H]([NH3+])CCCC#N	ZINC000424124115	538241789	/nfs/dbraw/zinc/24/17/89/538241789.db2.gz	LWQNKVQQSWYMHA-ZDUSSCGKSA-N	1	0	368.459	1.295	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)Nc1cccc(C(=O)NCc2ccccn2)c1	ZINC000424136001	538244490	/nfs/dbraw/zinc/24/44/90/538244490.db2.gz	QBBUBOXLAFZMQA-KRWDZBQOSA-N	1	0	351.410	1.971	20	30		FDEDRO
CC[NH+]1CCN(CCNS(=O)(=O)c2ccc(CC#N)cc2Cl)CC1	ZINC000451433408	538253784	/nfs/dbraw/zinc/25/37/84/538253784.db2.gz	RHQNBOFLIJQZMP-UHFFFAOYSA-N	1	0	370.906	1.322	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1	ZINC000451634922	538287886	/nfs/dbraw/zinc/28/78/86/538287886.db2.gz	SJUZFIZJGWXAKG-XYJFISCASA-N	1	0	356.470	1.966	20	30		FDEDRO
CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000420469984	538301187	/nfs/dbraw/zinc/30/11/87/538301187.db2.gz	WMJPYARUCCJTJO-CYBMUJFWSA-N	1	0	372.288	1.987	20	30		FDEDRO
C=CC[C@@H](CO)CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000429037077	538329541	/nfs/dbraw/zinc/32/95/41/538329541.db2.gz	WBOQZWPFRGHGHV-RTBURBONSA-N	1	0	361.486	1.761	20	30		FDEDRO
COC[C@]1(CO)CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000451924833	538336536	/nfs/dbraw/zinc/33/65/36/538336536.db2.gz	FNNSDPBFAJNETI-QGZVFWFLSA-N	1	0	351.834	1.871	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@](C)(C(=O)OC)c1ccc(F)cc1	ZINC000447023916	538342267	/nfs/dbraw/zinc/34/22/67/538342267.db2.gz	RKVZICMEUDTRIW-KZULUSFZSA-N	1	0	365.405	1.246	20	30		FDEDRO
CC(C)(O)C[NH+]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1	ZINC000435127237	538381748	/nfs/dbraw/zinc/38/17/48/538381748.db2.gz	VNIIFVVIDNIIBX-UHFFFAOYSA-N	1	0	368.485	1.747	20	30		FDEDRO
CC1(C#N)CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC1	ZINC000423373662	538387923	/nfs/dbraw/zinc/38/79/23/538387923.db2.gz	HOXHBBLMPMOTOK-SJORKVTESA-N	1	0	354.454	1.340	20	30		FDEDRO
C[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1	ZINC000423526480	538398801	/nfs/dbraw/zinc/39/88/01/538398801.db2.gz	LIATVTUKXYWESC-OALUTQOASA-N	1	0	368.481	1.743	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1	ZINC000425370207	538404918	/nfs/dbraw/zinc/40/49/18/538404918.db2.gz	CBDCAEJUIIMSEP-RBUKOAKNSA-N	1	0	353.466	1.920	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1	ZINC000438456100	538424513	/nfs/dbraw/zinc/42/45/13/538424513.db2.gz	PKBKSPQZTQCXPG-DLBZAZTESA-N	1	0	352.523	1.683	20	30		FDEDRO
CC[NH+]1CCN(CC(C)(C)NC(=O)[C@@H](C)Oc2ccccc2C#N)CC1	ZINC000456898999	538458761	/nfs/dbraw/zinc/45/87/61/538458761.db2.gz	MLJFJGIHSSQBOL-MRXNPFEDSA-N	1	0	358.486	1.858	20	30		FDEDRO
C=CCC[C@H](CO)NC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1	ZINC000457728353	538512379	/nfs/dbraw/zinc/51/23/79/538512379.db2.gz	YFDPIYCCBQMDPG-UXHICEINSA-N	1	0	374.529	1.992	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCCC[N@H+](C)C1CC1	ZINC000454106440	538514793	/nfs/dbraw/zinc/51/47/93/538514793.db2.gz	OTRYIVKOHGZJQP-UHFFFAOYSA-N	1	0	358.442	1.886	20	30		FDEDRO
C[NH+](C)CCOCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000471644025	538529832	/nfs/dbraw/zinc/52/98/32/538529832.db2.gz	LNPFLDCOKXANED-UHFFFAOYSA-N	1	0	365.377	1.434	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)C[C@H]1CCOC1	ZINC000494557564	538558634	/nfs/dbraw/zinc/55/86/34/538558634.db2.gz	AUNUAQYHVGJFFQ-MRXNPFEDSA-N	1	0	362.474	1.920	20	30		FDEDRO
C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)N[C@@H]3CCC[C@@H]3C#N)cn2)CC1	ZINC000461780988	538564183	/nfs/dbraw/zinc/56/41/83/538564183.db2.gz	ZYIYOKXIKBMKBK-CZUORRHYSA-N	1	0	371.441	1.302	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1cn[nH]c1	ZINC000494687642	538577333	/nfs/dbraw/zinc/57/73/33/538577333.db2.gz	FXABJRNQIFHPAH-DZGCQCFKSA-N	1	0	358.471	1.531	20	30		FDEDRO
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N(CCC#N)CCC[NH+](C)C)c1	ZINC000560636908	545562802	/nfs/dbraw/zinc/56/28/02/545562802.db2.gz	OIEFCUBAXORTEJ-UHFFFAOYSA-N	1	0	373.457	1.911	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000501585540	538681411	/nfs/dbraw/zinc/68/14/11/538681411.db2.gz	ACZJLKLEKYLHKD-QGZVFWFLSA-N	1	0	365.518	1.808	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1CCN(c2cc[nH+]c3ccccc32)CC1	ZINC000459473487	538686312	/nfs/dbraw/zinc/68/63/12/538686312.db2.gz	WMJFZVILCKYILN-UHFFFAOYSA-N	1	0	353.426	1.369	20	30		FDEDRO
COCC1(C#N)CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)CC1	ZINC000478222764	538724663	/nfs/dbraw/zinc/72/46/63/538724663.db2.gz	CPJXFLGVLRAEQR-KRWDZBQOSA-N	1	0	365.522	1.220	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000489699729	538837346	/nfs/dbraw/zinc/83/73/46/538837346.db2.gz	HLXBVCAOZOTYTJ-COXVUDFISA-N	1	0	367.446	1.570	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)CC1(C#N)CCCC1	ZINC000498842155	538859075	/nfs/dbraw/zinc/85/90/75/538859075.db2.gz	DMEDEFYJPJOGIZ-QGZVFWFLSA-N	1	0	370.563	1.748	20	30		FDEDRO
N#CCCCCNC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	ZINC000561363964	545820586	/nfs/dbraw/zinc/82/05/86/545820586.db2.gz	SCZGZUPYEKOBFE-UHFFFAOYSA-N	1	0	364.490	1.195	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(C#N)cc1F	ZINC000562057508	546023118	/nfs/dbraw/zinc/02/31/18/546023118.db2.gz	JASAOLGRKZHFFC-GXTWGEPZSA-N	1	0	354.451	1.619	20	30		FDEDRO
CC1(C)OCC[C@@H]1[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000562543243	546172531	/nfs/dbraw/zinc/17/25/31/546172531.db2.gz	YBRAGYDUOUJEND-HOCLYGCPSA-N	1	0	362.499	1.614	20	30		FDEDRO
CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000562993907	546345969	/nfs/dbraw/zinc/34/59/69/546345969.db2.gz	RDYGFLAGDQAQCJ-ZBFHGGJFSA-N	1	0	370.496	1.277	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CCC(CC[NH3+])CC1	ZINC000563302537	546482879	/nfs/dbraw/zinc/48/28/79/546482879.db2.gz	MERKCPQQUHFALX-UHFFFAOYSA-N	1	0	374.441	1.697	20	30		FDEDRO
N#Cc1c(NC(=O)CC[NH2+][C@]2(C(N)=O)CCOC2)sc2c1CCCC2	ZINC000563358209	546500352	/nfs/dbraw/zinc/50/03/52/546500352.db2.gz	OJHGEJXHSGZRND-QGZVFWFLSA-N	1	0	362.455	1.061	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1N1CCN(c2ccc(C#N)c(N)n2)CC1	ZINC000563420154	546526795	/nfs/dbraw/zinc/52/67/95/546526795.db2.gz	NGWBBLYHSZVAMY-UHFFFAOYSA-N	1	0	366.469	1.802	20	30		FDEDRO
COCCCN1CCC([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000563709178	546655272	/nfs/dbraw/zinc/65/52/72/546655272.db2.gz	QNTLLLSXSPUIGI-UHFFFAOYSA-N	1	0	365.499	1.422	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)ncc1C#N	ZINC000563823607	546698957	/nfs/dbraw/zinc/69/89/57/546698957.db2.gz	YHOZUJQLGMXFEU-MRXNPFEDSA-N	1	0	369.400	1.758	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)n1	ZINC000563944071	546746346	/nfs/dbraw/zinc/74/63/46/546746346.db2.gz	SQMAWTPFEGZTMK-DOMZBBRYSA-N	1	0	354.389	2.099	20	30		FDEDRO
COC(=O)c1ccc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c(C#N)n1	ZINC000564352162	546889596	/nfs/dbraw/zinc/88/95/96/546889596.db2.gz	YHHVCHVQMDMFST-OAHLLOKOSA-N	1	0	357.458	1.345	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]CCCNC(=O)c2cccc(F)c2)cc1	ZINC000564854777	547069194	/nfs/dbraw/zinc/06/91/94/547069194.db2.gz	AXRRCKZMWORFHC-SFHVURJKSA-N	1	0	371.412	1.847	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1	ZINC000564856385	547070731	/nfs/dbraw/zinc/07/07/31/547070731.db2.gz	GSCULCJZRSSAKN-RKVPGOIHSA-N	1	0	362.474	1.876	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1	ZINC000564914404	547098560	/nfs/dbraw/zinc/09/85/60/547098560.db2.gz	RMXVJBMLCFHPLM-HNNXBMFYSA-N	1	0	370.413	1.767	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c1	ZINC000564966200	547131747	/nfs/dbraw/zinc/13/17/47/547131747.db2.gz	FKBSNWBOMMFGOX-SHTZXODSSA-N	1	0	365.499	1.646	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@@H]1CCC[N@H+]1CCOC	ZINC000565113923	547208034	/nfs/dbraw/zinc/20/80/34/547208034.db2.gz	BZFYNRQBWUSYLV-HNNXBMFYSA-N	1	0	365.499	1.490	20	30		FDEDRO
N#Cc1cccc(NC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1	ZINC000565357020	547318607	/nfs/dbraw/zinc/31/86/07/547318607.db2.gz	FYURYEDNWMYBTE-WBVHZDCISA-N	1	0	355.442	1.670	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]CCc2cnc(C3CC3)nc2)cc1	ZINC000565358940	547319029	/nfs/dbraw/zinc/31/90/29/547319029.db2.gz	LICOWPNBFISCSU-SFHVURJKSA-N	1	0	352.438	1.992	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)n1	ZINC000565821948	547493607	/nfs/dbraw/zinc/49/36/07/547493607.db2.gz	HRNPGIQNQNCVFI-BFHYXJOUSA-N	1	0	368.416	2.393	20	30		FDEDRO
CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1	ZINC000565942316	547539537	/nfs/dbraw/zinc/53/95/37/547539537.db2.gz	YEKLWUPMCIDJKX-HNNXBMFYSA-N	1	0	357.458	1.099	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2ccc(C#N)s2)CC1	ZINC000566085131	547593508	/nfs/dbraw/zinc/59/35/08/547593508.db2.gz	PKJKGMHCRPQVGK-HNNXBMFYSA-N	1	0	361.471	1.068	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c(OC)c1	ZINC000566110553	547607666	/nfs/dbraw/zinc/60/76/66/547607666.db2.gz	MAQVGGXGWSYAAX-HPBDAGMYSA-N	1	0	374.481	1.762	20	30		FDEDRO
N#Cc1cc2c(n(CC(=O)NC3CC3)c1=O)CC[N@H+](Cc1ccccc1)C2	ZINC000566499279	547783465	/nfs/dbraw/zinc/78/34/65/547783465.db2.gz	PDWJLHBSHIANPE-UHFFFAOYSA-N	1	0	362.433	1.557	20	30		FDEDRO
CCC[N@H+](CC)C[C@@H](C)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1	ZINC000566536499	547797175	/nfs/dbraw/zinc/79/71/75/547797175.db2.gz	GZEXIOQRFCXDAT-CQSZACIVSA-N	1	0	366.487	1.073	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1	ZINC000567608906	548180199	/nfs/dbraw/zinc/18/01/99/548180199.db2.gz	UMFJJBPHQDQYRQ-ZDUSSCGKSA-N	1	0	374.470	1.463	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c1	ZINC000567686460	548212768	/nfs/dbraw/zinc/21/27/68/548212768.db2.gz	JCQMQFDKJTVCPM-DOTOQJQBSA-N	1	0	350.440	1.260	20	30		FDEDRO
CO[C@](C)(C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1	ZINC000567695791	548218186	/nfs/dbraw/zinc/21/81/86/548218186.db2.gz	CVLXYVOHSHBIMJ-GOSISDBHSA-N	1	0	359.451	1.878	20	30		FDEDRO
CN(C)c1noc([C@H]2CCC[N@H+](C[C@@H]3CNc4c(C#N)cnn4C3)C2)n1	ZINC000567889147	548310073	/nfs/dbraw/zinc/31/00/73/548310073.db2.gz	ZHWQEULBXMUVSR-STQMWFEESA-N	1	0	356.434	1.125	20	30		FDEDRO
C[NH+](C)CCCC(C)(C)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1	ZINC000567957378	548337098	/nfs/dbraw/zinc/33/70/98/548337098.db2.gz	AHAWXZLPMZYDIP-UHFFFAOYSA-N	1	0	366.487	1.073	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC[C@@H](C[NH3+])C3)C2=O)cc1	ZINC000568730897	548654136	/nfs/dbraw/zinc/65/41/36/548654136.db2.gz	SLQYZJDRIHTVHR-DOTOQJQBSA-N	1	0	355.442	1.434	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)N(C)CCOCc2ccc(C#N)cc2)CC1	ZINC000569046745	548776778	/nfs/dbraw/zinc/77/67/78/548776778.db2.gz	YKIFJOBDWLKJST-UHFFFAOYSA-N	1	0	358.486	1.561	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)n(CCC#N)n1	ZINC000570244795	549209626	/nfs/dbraw/zinc/20/96/26/549209626.db2.gz	XUVGPHQNMJHQAK-CQSZACIVSA-N	1	0	360.462	1.280	20	30		FDEDRO
C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1nc(C#N)cs1	ZINC000570369604	549254331	/nfs/dbraw/zinc/25/43/31/549254331.db2.gz	WFYHSRMWWWGRCZ-GFCCVEGCSA-N	1	0	350.469	1.861	20	30		FDEDRO
C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)C1	ZINC000570744257	549395234	/nfs/dbraw/zinc/39/52/34/549395234.db2.gz	JBDUJCWWVCIALN-GOSISDBHSA-N	1	0	354.454	1.365	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCc2nnnn2CC1	ZINC000570850184	549435682	/nfs/dbraw/zinc/43/56/82/549435682.db2.gz	QMTXLBOUPJGELK-QGZVFWFLSA-N	1	0	367.457	1.088	20	30		FDEDRO
C[C@H]([NH2+][C@H](CO)[C@@H]1CCCOC1)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000571263300	549583255	/nfs/dbraw/zinc/58/32/55/549583255.db2.gz	YEOQZSMEVQMLHL-YWPYICTPSA-N	1	0	363.483	1.813	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1C(F)(F)F	ZINC000571325776	549606599	/nfs/dbraw/zinc/60/65/99/549606599.db2.gz	ULERAXCPYVMUBA-LLVKDONJSA-N	1	0	369.315	1.853	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(CC(=O)NC(=O)NC3CCCC3)C2)nc1	ZINC000571380869	549622582	/nfs/dbraw/zinc/62/25/82/549622582.db2.gz	GGSZOOWGBKJEDJ-OAHLLOKOSA-N	1	0	357.414	1.175	20	30		FDEDRO
N#Cc1cnn2c1NC[C@@H](C[NH2+][C@H]1CCN(C(=O)C3CCCCC3)C1)C2	ZINC000571585447	549698801	/nfs/dbraw/zinc/69/88/01/549698801.db2.gz	LOFKIRBKZFBDRE-PBHICJAKSA-N	1	0	356.474	1.567	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCO[C@H](CC(C)C)C2)CC1	ZINC000571590375	549701267	/nfs/dbraw/zinc/70/12/67/549701267.db2.gz	VQTWTEBRYBAYIY-ZWKOTPCHSA-N	1	0	365.518	1.853	20	30		FDEDRO
CSC1(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CCOCC1	ZINC000571754384	549751280	/nfs/dbraw/zinc/75/12/80/549751280.db2.gz	LWLHSLHEAMWURK-UHFFFAOYSA-N	1	0	355.485	1.229	20	30		FDEDRO
N#CCNC(=O)CNC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1	ZINC000571792940	549765617	/nfs/dbraw/zinc/76/56/17/549765617.db2.gz	JWSUAMHNZLQWBI-OAHLLOKOSA-N	1	0	363.849	1.416	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1C#N	ZINC000572113574	549844393	/nfs/dbraw/zinc/84/43/93/549844393.db2.gz	QNOHRXKBJAZMDK-GOOCMWNKSA-N	1	0	374.514	1.780	20	30		FDEDRO
CC(C)OC(=O)CC[C@H](C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000572595696	549950479	/nfs/dbraw/zinc/95/04/79/549950479.db2.gz	WFILZEMRPRBNQC-ZDUSSCGKSA-N	1	0	353.444	1.437	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1N1CCN(c2ccnc(C#N)n2)CC1	ZINC000572616932	549956625	/nfs/dbraw/zinc/95/66/25/549956625.db2.gz	KPPKGQFVAMLDFY-UHFFFAOYSA-N	1	0	352.442	1.615	20	30		FDEDRO
COC(=O)c1ccc(-c2ccc(C[NH2+]CCn3cnc(C#N)n3)o2)cc1	ZINC000572646909	549963869	/nfs/dbraw/zinc/96/38/69/549963869.db2.gz	PRUQIHUGPLITIW-UHFFFAOYSA-N	1	0	351.366	1.986	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1	ZINC000572827290	550003753	/nfs/dbraw/zinc/00/37/53/550003753.db2.gz	TXJBWQAIRMJVBC-UHFFFAOYSA-N	1	0	354.370	1.703	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccn1)C[C@H](O)COc1ccc(C#N)cc1	ZINC000572852706	550010165	/nfs/dbraw/zinc/01/01/65/550010165.db2.gz	KPAZUVAKLYLIGC-IBGZPJMESA-N	1	0	354.454	1.757	20	30		FDEDRO
C=CCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1	ZINC000573021177	550046609	/nfs/dbraw/zinc/04/66/09/550046609.db2.gz	NVDKPXKUAYLWGS-HNNXBMFYSA-N	1	0	367.457	1.784	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H]1C[C@H](O)C1(C)C	ZINC000573217847	550090070	/nfs/dbraw/zinc/09/00/70/550090070.db2.gz	SAIOMBXDBUSHCV-HOTGVXAUSA-N	1	0	362.474	1.701	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1	ZINC000573317820	550110153	/nfs/dbraw/zinc/11/01/53/550110153.db2.gz	WYNDMRMRBLSNSC-CQSZACIVSA-N	1	0	360.336	1.910	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c1	ZINC000573557170	550163395	/nfs/dbraw/zinc/16/33/95/550163395.db2.gz	VIUVJNLVVSWQIM-DOTOQJQBSA-N	1	0	366.508	1.976	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)N[C@@H](C)C[C@@H](C)[NH3+])c(C#N)cn1CCOC	ZINC000573684523	550192143	/nfs/dbraw/zinc/19/21/43/550192143.db2.gz	YJLHMNNKJOGMGQ-NEPJUHHUSA-N	1	0	365.434	1.430	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H](CCO)C2CCOCC2)c1	ZINC000573771972	550207248	/nfs/dbraw/zinc/20/72/48/550207248.db2.gz	WBFUBWSQFKAWGL-QGZVFWFLSA-N	1	0	352.456	1.099	20	30		FDEDRO
C=CCNC(=O)CN1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1	ZINC000574261288	550284966	/nfs/dbraw/zinc/28/49/66/550284966.db2.gz	BKEFYOXWDNKWDI-UHFFFAOYSA-N	1	0	350.507	1.087	20	30		FDEDRO
CN(CCC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)CC(F)(F)F	ZINC000574271399	550286486	/nfs/dbraw/zinc/28/64/86/550286486.db2.gz	SFQPWULOZVUQGI-UHFFFAOYSA-N	1	0	363.405	1.806	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1	ZINC000574288344	550289954	/nfs/dbraw/zinc/28/99/54/550289954.db2.gz	ZAXXHASUCQSEEA-IPMKNSEASA-N	1	0	366.465	1.427	20	30		FDEDRO
C[C@H]1[C@@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)CC(=O)N1Cc1ccccc1	ZINC000574323603	550296009	/nfs/dbraw/zinc/29/60/09/550296009.db2.gz	BIEPESZJTDSBDY-KSSFIOAISA-N	1	0	360.421	1.880	20	30		FDEDRO
C=C(C)COc1cc(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)ccc1OC	ZINC000574696415	550356197	/nfs/dbraw/zinc/35/61/97/550356197.db2.gz	XUURXRWUWGYSOF-OAHLLOKOSA-N	1	0	354.472	1.774	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)NCC[C@H]3CCC[NH2+]C3)CC2)c1C#N	ZINC000574787509	550370357	/nfs/dbraw/zinc/37/03/57/550370357.db2.gz	VVFNKWQXNGEQIB-CQSZACIVSA-N	1	0	362.503	1.545	20	30		FDEDRO
CN(C)[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccsc1	ZINC000575215243	550444986	/nfs/dbraw/zinc/44/49/86/550444986.db2.gz	GFSGSPFZFXERAT-OAHLLOKOSA-N	1	0	364.496	1.681	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCN(c3ccccc3)C2=O)cc1	ZINC000575377451	550458996	/nfs/dbraw/zinc/45/89/96/550458996.db2.gz	RIKWNJVUDZDXDM-HKUYNNGSSA-N	1	0	351.406	1.693	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)NCC#Cc2ccccc2)(N2CCOCC2)CC1	ZINC000576127537	550513975	/nfs/dbraw/zinc/51/39/75/550513975.db2.gz	BLOOSSJCANDPCV-UHFFFAOYSA-N	1	0	370.497	1.134	20	30		FDEDRO
C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)Oc1cccc(F)c1	ZINC000576220422	550524349	/nfs/dbraw/zinc/52/43/49/550524349.db2.gz	QEBSMPCSIFFNFU-ZDUSSCGKSA-N	1	0	363.414	1.923	20	30		FDEDRO
Cc1ccc([C@H](CN2CCOCC2)[NH2+]C[C@H](O)CN(C)CCC#N)cc1	ZINC000576958843	550604659	/nfs/dbraw/zinc/60/46/59/550604659.db2.gz	UOELHBWOSONPDM-PMACEKPBSA-N	1	0	360.502	1.164	20	30		FDEDRO
C=CCNC(=O)CN1CCN(Cc2ccc(C#N)cc2C(F)(F)F)CC1	ZINC000576992105	550608432	/nfs/dbraw/zinc/60/84/32/550608432.db2.gz	VEBPVMHGFQQRKD-UHFFFAOYSA-N	1	0	366.387	1.997	20	30		FDEDRO
C[C@H]([C@H](C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)N1CCOCC1	ZINC000577171667	550627823	/nfs/dbraw/zinc/62/78/23/550627823.db2.gz	BHWDTGVVIZCERI-LSDHHAIUSA-N	1	0	351.472	1.031	20	30		FDEDRO
COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1	ZINC000577497074	550662891	/nfs/dbraw/zinc/66/28/91/550662891.db2.gz	RTKTUTNIBLNABC-CJNGLKHVSA-N	1	0	360.414	1.830	20	30		FDEDRO
CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C	ZINC000577581533	550671482	/nfs/dbraw/zinc/67/14/82/550671482.db2.gz	FNFRNZYJDFADBH-MRXNPFEDSA-N	1	0	367.457	2.395	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CCCCN2C(=O)c3ccccc3C2=O)CC1	ZINC000578088598	550727153	/nfs/dbraw/zinc/72/71/53/550727153.db2.gz	AJIRGGMZDJWAAO-UHFFFAOYSA-N	1	0	368.437	1.557	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1	ZINC000578640330	550785877	/nfs/dbraw/zinc/78/58/77/550785877.db2.gz	TZKGABNQSXUHMK-TZMCWYRMSA-N	1	0	368.840	1.380	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)NCCC[NH2+]C(C)C)CC2)c1C#N	ZINC000578850357	550807893	/nfs/dbraw/zinc/80/78/93/550807893.db2.gz	PTNIUYLKJPNCRP-UHFFFAOYSA-N	1	0	350.492	1.543	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)nc1	ZINC000578880514	550811453	/nfs/dbraw/zinc/81/14/53/550811453.db2.gz	HDLXCOOLGCQNQO-ZHALLVOQSA-N	1	0	353.447	1.902	20	30		FDEDRO
N#C[C@@H]1N(CC(=O)NC2CC[NH+](C3CC3)CC2)CCC[C@@]12CCCCO2	ZINC000579077379	550832545	/nfs/dbraw/zinc/83/25/45/550832545.db2.gz	RMRGJPHGVIPKGA-ICSRJNTNSA-N	1	0	360.502	1.657	20	30		FDEDRO
CCOC(=O)c1cc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)[nH]c1C	ZINC000579314761	550858812	/nfs/dbraw/zinc/85/88/12/550858812.db2.gz	VEXNVHSWJRBBSZ-UHFFFAOYSA-N	1	0	358.402	1.499	20	30		FDEDRO
CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@@H](C)n2cnc(C#N)n2)c1	ZINC000579508698	550881042	/nfs/dbraw/zinc/88/10/42/550881042.db2.gz	BJAMAKMVNCLAGU-CYBMUJFWSA-N	1	0	369.429	1.630	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O	ZINC000579582756	550888591	/nfs/dbraw/zinc/88/85/91/550888591.db2.gz	MVACYQUMOXLOEU-CZUORRHYSA-N	1	0	368.840	1.380	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(c2cnccc2C#N)CC1)C(C)(C)C[NH+](C)C	ZINC000579787698	550909742	/nfs/dbraw/zinc/90/97/42/550909742.db2.gz	LIGKZGVQMDIKBH-HNNXBMFYSA-N	1	0	358.490	1.761	20	30		FDEDRO
O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(F)c(F)c(F)c1F	ZINC000579826348	550914419	/nfs/dbraw/zinc/91/44/19/550914419.db2.gz	JKDWOAONKNDKTO-SECBINFHSA-N	1	0	373.272	1.809	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCCS(=O)(=O)C1	ZINC000579944292	550926245	/nfs/dbraw/zinc/92/62/45/550926245.db2.gz	LAUHJNQHPISWCG-RDJZCZTQSA-N	1	0	353.484	1.569	20	30		FDEDRO
C[NH+](C)[C@]1(CNS(=O)(=O)Cc2ccc(CC#N)cc2)CCSC1	ZINC000580189645	550952678	/nfs/dbraw/zinc/95/26/78/550952678.db2.gz	WCYMFMVNWVTLHA-INIZCTEOSA-N	1	0	353.513	1.609	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)n1	ZINC000580549827	550993708	/nfs/dbraw/zinc/99/37/08/550993708.db2.gz	MYBXYZVLHOCGAS-MRXNPFEDSA-N	1	0	355.442	1.805	20	30		FDEDRO
C=CCN=c1[nH]cc(C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)s1	ZINC000580563489	550995490	/nfs/dbraw/zinc/99/54/90/550995490.db2.gz	WMIJXLCYXAYOJP-HIFRSBDPSA-N	1	0	350.488	2.100	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(N3CCOCC3)cc2)c1C#N	ZINC000580578888	550997410	/nfs/dbraw/zinc/99/74/10/550997410.db2.gz	MRQROJUYCMAASV-UHFFFAOYSA-N	1	0	368.441	1.522	20	30		FDEDRO
N#Cc1cccnc1OC1CCC(NC(=O)NC[C@@H]2C[NH2+]CCCO2)CC1	ZINC000581478379	551093018	/nfs/dbraw/zinc/09/30/18/551093018.db2.gz	IMRKPYMPRPTTRV-JCYILVPMSA-N	1	0	373.457	1.321	20	30		FDEDRO
Cn1nccc1[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CCO1	ZINC000582058386	551169643	/nfs/dbraw/zinc/16/96/43/551169643.db2.gz	ZEAWSGZVOUSSTE-QKLQHJQFSA-N	1	0	370.453	1.736	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)Nc2ccc(OCC[NH3+])cc2)CC1	ZINC000582474955	551229067	/nfs/dbraw/zinc/22/90/67/551229067.db2.gz	RYSFGLFINXPLEX-UHFFFAOYSA-N	1	0	366.425	1.645	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]CC(=O)N2CCc3ccccc3C2)cc1	ZINC000582481892	551230189	/nfs/dbraw/zinc/23/01/89/551230189.db2.gz	KVMUZYGMMGYWKE-LJQANCHMSA-N	1	0	365.433	1.472	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCC3(C#N)CC3)cc2)CC1	ZINC000583180907	551315051	/nfs/dbraw/zinc/31/50/51/551315051.db2.gz	GZASJMXLTJFTAM-UHFFFAOYSA-N	1	0	369.469	1.183	20	30		FDEDRO
COc1ccc(C(=O)NCC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)cc1	ZINC000583198844	551317685	/nfs/dbraw/zinc/31/76/85/551317685.db2.gz	LQTIBMWIXVPJGN-KRWDZBQOSA-N	1	0	369.421	1.326	20	30		FDEDRO
CCn1ncnc1Cn1c2c(cc(C#N)c1=O)C[N@@H+](Cc1ccccc1)CC2	ZINC000584243196	551469525	/nfs/dbraw/zinc/46/95/25/551469525.db2.gz	SJTCTGSUWQZZQQ-UHFFFAOYSA-N	1	0	374.448	1.938	20	30		FDEDRO
CN1CCC(CCO)([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1	ZINC000584361457	551486533	/nfs/dbraw/zinc/48/65/33/551486533.db2.gz	QNGGHMGOSBOAAB-UHFFFAOYSA-N	1	0	368.485	1.795	20	30		FDEDRO
C[C@H]1CCC[C@H](C)N1CC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000584405964	551492212	/nfs/dbraw/zinc/49/22/12/551492212.db2.gz	LDNXBZJYBNIGAO-GJZGRUSLSA-N	1	0	350.488	1.579	20	30		FDEDRO
N#Cc1ccc(CN2CCCN(C(=O)[C@@H]3CCc4nncn4C3)CC2)cc1	ZINC000584447090	551498027	/nfs/dbraw/zinc/49/80/27/551498027.db2.gz	SVRVDTFAHHYILR-GOSISDBHSA-N	1	0	364.453	1.447	20	30		FDEDRO
CC[N@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)[C@H]1CCOC1	ZINC000584563630	551517661	/nfs/dbraw/zinc/51/76/61/551517661.db2.gz	GGUKLSKEAYVQCB-OALUTQOASA-N	1	0	374.460	1.645	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]CCNC(=O)c2cccs2)c1	ZINC000584834394	551556596	/nfs/dbraw/zinc/55/65/96/551556596.db2.gz	MMYWGUIFWBMKRH-UHFFFAOYSA-N	1	0	363.464	1.413	20	30		FDEDRO
CC1CC[NH+](CCCNC(=O)C(=O)NCc2ccc(C#N)cc2F)CC1	ZINC000585692621	551582692	/nfs/dbraw/zinc/58/26/92/551582692.db2.gz	QMRHKSWFRXXGJS-UHFFFAOYSA-N	1	0	360.433	1.552	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)c1ccc(C#N)cc1	ZINC000585714720	551586139	/nfs/dbraw/zinc/58/61/39/551586139.db2.gz	WWVPVDQMTJUARO-PBHICJAKSA-N	1	0	356.470	1.972	20	30		FDEDRO
CC1CC[NH+](CCCCNC(=O)C(=O)NCc2ccc(C#N)cc2F)CC1	ZINC000585720994	551587292	/nfs/dbraw/zinc/58/72/92/551587292.db2.gz	BOJDGUDXPBLQLB-UHFFFAOYSA-N	1	0	374.460	1.942	20	30		FDEDRO
C[C@H](CCC#N)C[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1	ZINC000585727562	551588308	/nfs/dbraw/zinc/58/83/08/551588308.db2.gz	WDWOBCOGRPGANB-IAGOWNOFSA-N	1	0	372.517	1.363	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1	ZINC000585800665	551606940	/nfs/dbraw/zinc/60/69/40/551606940.db2.gz	DVZVCDMZDFDRRP-GSEOLPGOSA-N	1	0	360.454	1.550	20	30		FDEDRO
N#Cc1cccc(F)c1CC(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000586769011	551617009	/nfs/dbraw/zinc/61/70/09/551617009.db2.gz	ZWDNUUXNQBLGEH-QGZVFWFLSA-N	1	0	358.417	1.181	20	30		FDEDRO
CNC(=O)CC[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1	ZINC000586785696	551619054	/nfs/dbraw/zinc/61/90/54/551619054.db2.gz	OCYRSNXJIYSLQO-MSOLQXFVSA-N	1	0	359.470	1.873	20	30		FDEDRO
CN(CCC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)S(C)(=O)=O	ZINC000586788664	551619912	/nfs/dbraw/zinc/61/99/12/551619912.db2.gz	WWCYKQZJHAWDIB-UHFFFAOYSA-N	1	0	350.488	1.398	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)NCc1ccc(C#N)cc1F)C[NH+]1CCCCC1	ZINC000586859649	551626776	/nfs/dbraw/zinc/62/67/76/551626776.db2.gz	DJZPHQAUEUAOFJ-AWEZNQCLSA-N	1	0	360.433	1.552	20	30		FDEDRO
CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)C1	ZINC000586860501	551627007	/nfs/dbraw/zinc/62/70/07/551627007.db2.gz	HXMZUZALJSCDIG-HNNXBMFYSA-N	1	0	360.433	1.504	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c(F)c1	ZINC000586864903	551628200	/nfs/dbraw/zinc/62/82/00/551628200.db2.gz	QKGSNQPJEZLSTJ-INIZCTEOSA-N	1	0	358.417	1.447	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)[C@@H](C)C1	ZINC000587720012	551635117	/nfs/dbraw/zinc/63/51/17/551635117.db2.gz	UIMBHFIVMUVEIN-MPGHIAIKSA-N	1	0	356.470	1.924	20	30		FDEDRO
CC(=O)NCC[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000588215961	551659248	/nfs/dbraw/zinc/65/92/48/551659248.db2.gz	ZBCUCJANRKHCJH-RTBURBONSA-N	1	0	359.470	1.731	20	30		FDEDRO
C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1	ZINC000588366283	551669339	/nfs/dbraw/zinc/66/93/39/551669339.db2.gz	FAKNKKBHLIZMAY-LBPRGKRZSA-N	1	0	365.231	1.470	20	30		FDEDRO
N#CC1(CC(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1	ZINC000590229738	551766125	/nfs/dbraw/zinc/76/61/25/551766125.db2.gz	BESIEWZSXTVXKA-QGZVFWFLSA-N	1	0	354.454	1.694	20	30		FDEDRO
N#Cc1cc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cnc1C(F)(F)F	ZINC000590303121	551771071	/nfs/dbraw/zinc/77/10/71/551771071.db2.gz	NZXHOTIBGCOVRV-AWEZNQCLSA-N	1	0	368.359	1.955	20	30		FDEDRO
COc1cc(C#N)ccc1OCCCC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2	ZINC000590354898	551775586	/nfs/dbraw/zinc/77/55/86/551775586.db2.gz	AFFPJCRMFYWKQG-KRWDZBQOSA-N	1	0	372.469	1.232	20	30		FDEDRO
Cc1nc2c(n1CCO)CC[C@@H](NC(=O)CNc1ccc(C#N)cc1)C2	ZINC000590360303	551775862	/nfs/dbraw/zinc/77/58/62/551775862.db2.gz	CBSJLZCKMMEIKH-MRXNPFEDSA-N	1	0	353.426	1.141	20	30		FDEDRO
CC(C)C[C@H](NC(=O)c1cc(C#N)ccn1)C(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000590397407	551779882	/nfs/dbraw/zinc/77/98/82/551779882.db2.gz	BNXMOZZJXKGILN-WBVHZDCISA-N	1	0	357.458	1.260	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1	ZINC000590762710	551814207	/nfs/dbraw/zinc/81/42/07/551814207.db2.gz	COVUDIKNRQFXDG-IIAWOOMASA-N	1	0	358.360	1.737	20	30		FDEDRO
C[C@H]([NH2+]CCCn1c(=O)c2c(ncn2C)n(C)c1=O)c1cccc(C#N)c1	ZINC000591022993	551836525	/nfs/dbraw/zinc/83/65/25/551836525.db2.gz	OMPBMKSQLKJIBP-ZDUSSCGKSA-N	1	0	366.425	1.046	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)C1=O	ZINC000591031746	551837578	/nfs/dbraw/zinc/83/75/78/551837578.db2.gz	CFHPRHIALOZPCA-IXDOHACOSA-N	1	0	374.510	1.958	20	30		FDEDRO
N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@@H](C[NH3+])C3)cn2)c1	ZINC000591277708	551855638	/nfs/dbraw/zinc/85/56/38/551855638.db2.gz	VYWDVIFMZONMJB-INIZCTEOSA-N	1	0	353.382	1.937	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)ccc1Br	ZINC000591291953	551857233	/nfs/dbraw/zinc/85/72/33/551857233.db2.gz	SYBPNKLNSOWNBV-GFCCVEGCSA-N	1	0	365.231	1.518	20	30		FDEDRO
CC[C@@H]1CN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC[C@@H]1[NH3+]	ZINC000591297479	551857873	/nfs/dbraw/zinc/85/78/73/551857873.db2.gz	KQHFACMHWMDUSR-DOMZBBRYSA-N	1	0	356.405	2.474	20	30		FDEDRO
CN1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)[C@H](C[NH3+])C1	ZINC000591305218	551859623	/nfs/dbraw/zinc/85/96/23/551859623.db2.gz	IBMOHLITOJTPCE-GFCCVEGCSA-N	1	0	357.336	1.563	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1	ZINC000591359543	551865929	/nfs/dbraw/zinc/86/59/29/551865929.db2.gz	LFWWZKJYLCMKQY-PKOBYXMFSA-N	1	0	355.486	1.796	20	30		FDEDRO
C[C@@H]([NH3+])CNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N	ZINC000591361256	551866254	/nfs/dbraw/zinc/86/62/54/551866254.db2.gz	OQWMVJUQFRRQLF-LLVKDONJSA-N	1	0	359.409	1.044	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC1	ZINC000591362170	551866310	/nfs/dbraw/zinc/86/63/10/551866310.db2.gz	ZZYBIBVEFNVITN-GXTWGEPZSA-N	1	0	358.446	1.383	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1	ZINC000591576909	551881079	/nfs/dbraw/zinc/88/10/79/551881079.db2.gz	MOJRDVJOTAEHCG-QZTJIDSGSA-N	1	0	352.438	1.283	20	30		FDEDRO
COc1ccc(S(=O)(=O)N2CCC(C[NH2+]CCC#N)CC2)cc1OC	ZINC000591739441	551905148	/nfs/dbraw/zinc/90/51/48/551905148.db2.gz	VNIAXMKSDVXFHH-UHFFFAOYSA-N	1	0	367.471	1.608	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCN(c3ccccn3)C2)cc1	ZINC000591757003	551906544	/nfs/dbraw/zinc/90/65/44/551906544.db2.gz	NVTWQIRLCYKJQI-MSOLQXFVSA-N	1	0	352.438	1.756	20	30		FDEDRO
CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CC[C@@](O)(CC#N)C1	ZINC000591911626	551915902	/nfs/dbraw/zinc/91/59/02/551915902.db2.gz	RVYLFBBLXCEWBL-FQEVSTJZSA-N	1	0	374.485	1.967	20	30		FDEDRO
CC(C)(CNC(=O)N1CC[C@](O)(CC#N)C1)[N@@H+]1CCc2ccccc2C1	ZINC000591914778	551916417	/nfs/dbraw/zinc/91/64/17/551916417.db2.gz	IZVXXXYNDWUXOZ-HXUWFJFHSA-N	1	0	356.470	1.883	20	30		FDEDRO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCc1ccc(C#N)c(Cl)c1	ZINC000591989477	551923932	/nfs/dbraw/zinc/92/39/32/551923932.db2.gz	VDKINIDBLXSVGH-LBPRGKRZSA-N	1	0	363.849	1.473	20	30		FDEDRO
C[NH+]1CCC(Oc2ccc(CNC(=O)N3CC[C@](O)(CC#N)C3)cc2)CC1	ZINC000592019774	551927519	/nfs/dbraw/zinc/92/75/19/551927519.db2.gz	KANCNTIHPYOPDZ-HXUWFJFHSA-N	1	0	372.469	1.720	20	30		FDEDRO
N#CC[C@@]1(O)CCN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1	ZINC000592152560	551950491	/nfs/dbraw/zinc/95/04/91/551950491.db2.gz	ZWMFBZUGUIVZMP-LJQANCHMSA-N	1	0	374.510	1.524	20	30		FDEDRO
C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@@](O)(CC#N)C1	ZINC000592150657	551950771	/nfs/dbraw/zinc/95/07/71/551950771.db2.gz	FXSYFMGHJXMLEZ-POAQFYNOSA-N	1	0	356.470	1.116	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2)C1	ZINC000592156628	551951878	/nfs/dbraw/zinc/95/18/78/551951878.db2.gz	ZVTMBFQYSYKQSF-NVXWUHKLSA-N	1	0	354.454	1.576	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC3(C[C@@H]2C)CCOCC3)CC1	ZINC000592182473	551954748	/nfs/dbraw/zinc/95/47/48/551954748.db2.gz	AZPLNRDXFFRNOU-ROUUACIJSA-N	1	0	362.518	1.570	20	30		FDEDRO
COC(=O)[C@H]1C[C@H](O)C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000592199892	551958108	/nfs/dbraw/zinc/95/81/08/551958108.db2.gz	VGCIHPXZBXLVMW-JSGCOSHPSA-N	1	0	365.817	1.396	20	30		FDEDRO
N#CCc1ccc(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1	ZINC000592216169	551961762	/nfs/dbraw/zinc/96/17/62/551961762.db2.gz	FSMKLXMWWQYPHS-OAHLLOKOSA-N	1	0	369.391	1.388	20	30		FDEDRO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1ncccc1OCCCC#N	ZINC000592248942	551967299	/nfs/dbraw/zinc/96/72/99/551967299.db2.gz	FNNDKGWDLYZCCZ-AWEZNQCLSA-N	1	0	374.445	1.348	20	30		FDEDRO
N#CC[C@@]1(O)CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1	ZINC000592304411	551976220	/nfs/dbraw/zinc/97/62/20/551976220.db2.gz	LJIYNGQAGBNIJD-HXUWFJFHSA-N	1	0	370.453	1.488	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H](O)Cc2cccc(F)c2)nc1	ZINC000592431545	551994472	/nfs/dbraw/zinc/99/44/72/551994472.db2.gz	CVWVJFZGJSOYBE-MRXNPFEDSA-N	1	0	363.414	1.059	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H](CO)c1ccc(Br)cc1	ZINC000592432520	551994600	/nfs/dbraw/zinc/99/46/00/551994600.db2.gz	OJNBHOPPZNCNKB-HUUCEWRRSA-N	1	0	356.264	1.278	20	30		FDEDRO
N#Cc1cnn2c1NC[C@H](C[NH+]1CC(n3cc(-c4ccccc4)nn3)C1)C2	ZINC000592504658	552003097	/nfs/dbraw/zinc/00/30/97/552003097.db2.gz	CUNWWKUTDMQJNI-CQSZACIVSA-N	1	0	360.425	1.612	20	30		FDEDRO
N#Cc1cc(Br)ccc1N1CC(C(=O)NCC[NH+]2CCC2)C1	ZINC000592779586	552027901	/nfs/dbraw/zinc/02/79/01/552027901.db2.gz	QNDPMJOMFCIKEG-UHFFFAOYSA-N	1	0	363.259	1.579	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCC([C@H](C)CO)CC2)CC1	ZINC000593083422	552059370	/nfs/dbraw/zinc/05/93/70/552059370.db2.gz	NDFZSCLHENNIGZ-SJLPKXTDSA-N	1	0	350.507	1.019	20	30		FDEDRO
C[N@@H+]1CCN(CC(=O)N(CCC#N)CCC#N)[C@@H](Cc2ccccc2)C1	ZINC000593088840	552060435	/nfs/dbraw/zinc/06/04/35/552060435.db2.gz	LYPWNSDXQQHGIE-IBGZPJMESA-N	1	0	353.470	1.501	20	30		FDEDRO
COCCOCC[NH+]1CCN(CCC(=O)Nc2sccc2C#N)CC1	ZINC000593117943	552064712	/nfs/dbraw/zinc/06/47/12/552064712.db2.gz	UIVICWJDJZUQJI-UHFFFAOYSA-N	1	0	366.487	1.229	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1	ZINC000593148969	552067669	/nfs/dbraw/zinc/06/76/69/552067669.db2.gz	ZEFUUCLNQWQQGC-UHFFFAOYSA-N	1	0	359.430	1.195	20	30		FDEDRO
C[C@@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)n1cnc(C#N)n1	ZINC000593350253	552094080	/nfs/dbraw/zinc/09/40/80/552094080.db2.gz	CVDBPLXMGZFNNW-AWEZNQCLSA-N	1	0	363.425	1.363	20	30		FDEDRO
C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCC(=O)NCC#N	ZINC000593410080	552104248	/nfs/dbraw/zinc/10/42/48/552104248.db2.gz	HYFLJUWCAKIUSV-HRCADAONSA-N	1	0	357.458	1.319	20	30		FDEDRO
CCC[C@@H](O)[C@@H](CO)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593515560	552121139	/nfs/dbraw/zinc/12/11/39/552121139.db2.gz	KMIURQLKMYMLSR-RTBURBONSA-N	1	0	374.485	1.344	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCCC[NH+]1CCCC1	ZINC000593527410	552123579	/nfs/dbraw/zinc/12/35/79/552123579.db2.gz	UOFLDPOGUQCEEX-UHFFFAOYSA-N	1	0	351.428	1.109	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCC[N@@H+]1CCCC[C@@H]1C	ZINC000593530215	552124553	/nfs/dbraw/zinc/12/45/53/552124553.db2.gz	HETDVTJFZPWEHE-ZDUSSCGKSA-N	1	0	365.455	1.498	20	30		FDEDRO
C[NH+](C)C1(CNS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)CCOCC1	ZINC000593542959	552128317	/nfs/dbraw/zinc/12/83/17/552128317.db2.gz	CJKDFJMCBVLGOT-UHFFFAOYSA-N	1	0	365.499	1.877	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3ccsc3C#N)CC2)C1	ZINC000593546034	552129280	/nfs/dbraw/zinc/12/92/80/552129280.db2.gz	JAYHKATWRPKBSD-ZDUSSCGKSA-N	1	0	354.501	1.020	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2ccsc2C#N)C1	ZINC000593555904	552132326	/nfs/dbraw/zinc/13/23/26/552132326.db2.gz	GUTSYPWCZWRQCV-ZDUSSCGKSA-N	1	0	357.501	1.741	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1C(=O)OC	ZINC000593596020	552147137	/nfs/dbraw/zinc/14/71/37/552147137.db2.gz	WERZBCBUDOHAQJ-AWEZNQCLSA-N	1	0	365.455	1.498	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000593766392	552194250	/nfs/dbraw/zinc/19/42/50/552194250.db2.gz	IMDBIYSHOCFOTQ-BQFCYCMXSA-N	1	0	370.453	1.550	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)C(=O)NCc3ccco3)CC2)c1	ZINC000593926455	552227071	/nfs/dbraw/zinc/22/70/71/552227071.db2.gz	NKKONBCOQMNUIK-UHFFFAOYSA-N	1	0	366.421	1.548	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000594028020	552241458	/nfs/dbraw/zinc/24/14/58/552241458.db2.gz	YZOUOCUIQQCZSN-FHLIZLRMSA-N	1	0	360.433	1.212	20	30		FDEDRO
C[C@@H](O)C[N@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C1CC1	ZINC000594061854	552244941	/nfs/dbraw/zinc/24/49/41/552244941.db2.gz	CHWBQSQVDHWCDI-DNVCBOLYSA-N	1	0	374.460	1.380	20	30		FDEDRO
CCN1CCC([NH+]2CCC(C(=O)N[C@]3(C#N)CCSC3)CC2)CC1	ZINC000594257249	552272167	/nfs/dbraw/zinc/27/21/67/552272167.db2.gz	BKGLRZOHELGNSA-SFHVURJKSA-N	1	0	350.532	1.698	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000594283548	552277495	/nfs/dbraw/zinc/27/74/95/552277495.db2.gz	JNISWJIMYNEYDN-HZPDHXFCSA-N	1	0	359.478	1.454	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)c1	ZINC000594284228	552277878	/nfs/dbraw/zinc/27/78/78/552277878.db2.gz	WYXANBGRTTZEED-ROUUACIJSA-N	1	0	368.485	1.802	20	30		FDEDRO
C[NH+](C)CCn1ccc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)n1	ZINC000594293160	552280262	/nfs/dbraw/zinc/28/02/62/552280262.db2.gz	FPMWMOPCPZNLMK-SFHVURJKSA-N	1	0	366.469	1.295	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N1CCCN(C(=O)c2ccccc2F)CC1	ZINC000594428768	552308731	/nfs/dbraw/zinc/30/87/31/552308731.db2.gz	OFUDMUPDJGFEBW-QGZVFWFLSA-N	1	0	360.433	1.911	20	30		FDEDRO
CN(c1ccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)cc1)S(C)(=O)=O	ZINC000594434048	552309251	/nfs/dbraw/zinc/30/92/51/552309251.db2.gz	JTRKZDLRJLEBQH-HNNXBMFYSA-N	1	0	352.460	1.110	20	30		FDEDRO
Cc1cc(N2CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC2)nc(C(C)C)n1	ZINC000594441703	552310879	/nfs/dbraw/zinc/31/08/79/552310879.db2.gz	VLELHENVVKZZBA-MRXNPFEDSA-N	1	0	358.490	1.968	20	30		FDEDRO
CC1(C)NC(=O)N(c2cccc(NC(=O)[C@H]([NH3+])CCCCC#N)c2)C1=O	ZINC000594444898	552311827	/nfs/dbraw/zinc/31/18/27/552311827.db2.gz	FJJUXRUMPIMVAH-CQSZACIVSA-N	1	0	357.414	1.871	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(c3cccc(-n4cccn4)c3C#N)C2)CC1	ZINC000594549581	552332750	/nfs/dbraw/zinc/33/27/50/552332750.db2.gz	FTUIGRUIFYOZAU-QGZVFWFLSA-N	1	0	350.470	1.960	20	30		FDEDRO
N#Cc1cc(Cl)cc(Br)c1N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1	ZINC000594700759	552358694	/nfs/dbraw/zinc/35/86/94/552358694.db2.gz	AELKZFMBXDSKGW-ZYHUDNBSSA-N	1	0	369.650	1.722	20	30		FDEDRO
CC(C)[N@H+](C)C[C@@H](O)CN1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000594714253	552361728	/nfs/dbraw/zinc/36/17/28/552361728.db2.gz	LONRHZATGUZGOS-GOSISDBHSA-N	1	0	367.497	1.930	20	30		FDEDRO
C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000594803444	552391007	/nfs/dbraw/zinc/39/10/07/552391007.db2.gz	NJISEGBQOSLYND-ZDUSSCGKSA-N	1	0	372.922	1.762	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NCC1CC[NH+](Cc2ccncc2)CC1	ZINC000594828690	552400423	/nfs/dbraw/zinc/40/04/23/552400423.db2.gz	BXPNSTXXPJZYFH-UHFFFAOYSA-N	1	0	365.503	1.364	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)s1	ZINC000595113437	552455162	/nfs/dbraw/zinc/45/51/62/552455162.db2.gz	NBWLNVPOZPPHKK-MRVWCRGKSA-N	1	0	355.485	1.669	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)C1	ZINC000595146327	552467290	/nfs/dbraw/zinc/46/72/90/552467290.db2.gz	XQIOBWGRRKTCPA-MBOZVWFJSA-N	1	0	360.502	1.862	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)C1	ZINC000595146328	552467340	/nfs/dbraw/zinc/46/73/40/552467340.db2.gz	XQIOBWGRRKTCPA-UWVAXJGDSA-N	1	0	360.502	1.862	20	30		FDEDRO
Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@@](C)(C#N)C2)c1	ZINC000595153547	552469704	/nfs/dbraw/zinc/46/97/04/552469704.db2.gz	WPWJYWZBHLHVKG-FQEVSTJZSA-N	1	0	356.470	1.647	20	30		FDEDRO
C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)C1	ZINC000595162641	552473130	/nfs/dbraw/zinc/47/31/30/552473130.db2.gz	MJGBJLRHGAIJKZ-PXNSSMCTSA-N	1	0	354.454	1.481	20	30		FDEDRO
COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCO[C@H](C#N)C2)cc1F	ZINC000595269213	552508585	/nfs/dbraw/zinc/50/85/85/552508585.db2.gz	IYHGZWKBEXRMCS-YCPHGPKFSA-N	1	0	362.405	1.214	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(Cc3coc(S(N)(=O)=O)c3)CC2)cc1	ZINC000595288716	552512970	/nfs/dbraw/zinc/51/29/70/552512970.db2.gz	KUORLEOFOGJXGF-UHFFFAOYSA-N	1	0	374.466	1.507	20	30		FDEDRO
N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1	ZINC000595384029	552544026	/nfs/dbraw/zinc/54/40/26/552544026.db2.gz	HUEHHKOWFTVASR-CQSZACIVSA-N	1	0	369.874	1.431	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H](N2CCC[C@H]([NH+]3CCOCC3)CC2)C1=O	ZINC000595470548	552567776	/nfs/dbraw/zinc/56/77/76/552567776.db2.gz	OTPAADZWAWRXRB-IRXDYDNUSA-N	1	0	374.510	1.912	20	30		FDEDRO
C[NH+]1CCN(C[C@@H](NC(=O)N2CC[C@@](C)(C#N)C2)c2ccccc2)CC1	ZINC000595547106	552582025	/nfs/dbraw/zinc/58/20/25/552582025.db2.gz	OHCUNHYROKNFGP-QUCCMNQESA-N	1	0	355.486	1.920	20	30		FDEDRO
COc1cc(C#N)ccc1C[NH+]1CCC(NC(=O)N2CCOCC2)CC1	ZINC000595552213	552583026	/nfs/dbraw/zinc/58/30/26/552583026.db2.gz	QIOSNBVXISMJNJ-UHFFFAOYSA-N	1	0	358.442	1.573	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([N@H+](CCOCCO)C3CCC3)C2=O)cc1	ZINC000595595677	552590040	/nfs/dbraw/zinc/59/00/40/552590040.db2.gz	KPMBSJJUXYBPEE-IBGZPJMESA-N	1	0	357.454	1.917	20	30		FDEDRO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H](Cn2ccnn2)C1	ZINC000595608320	552592046	/nfs/dbraw/zinc/59/20/46/552592046.db2.gz	NRRSYTOZBNFPSA-VIHIWDAPSA-N	1	0	358.490	1.919	20	30		FDEDRO
CC(=O)NCCC[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595726091	552607350	/nfs/dbraw/zinc/60/73/50/552607350.db2.gz	MIIQPHTWLBOSQI-UHFFFAOYSA-N	1	0	352.442	1.597	20	30		FDEDRO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1	ZINC000595735823	552608579	/nfs/dbraw/zinc/60/85/79/552608579.db2.gz	DHIALXCUPFBRIF-XKDHDKOLSA-N	1	0	360.502	1.906	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CC[N@H+](CCN1CCOCC1)CC1CC1	ZINC000595809648	552619009	/nfs/dbraw/zinc/61/90/09/552619009.db2.gz	ULTPVBAEYFFRMP-UHFFFAOYSA-N	1	0	356.470	1.931	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)cc1	ZINC000595830072	552621114	/nfs/dbraw/zinc/62/11/14/552621114.db2.gz	TWDPELOUILSOBQ-QZTJIDSGSA-N	1	0	357.454	1.437	20	30		FDEDRO
N#CCSc1ccccc1NC(=O)CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC000595864631	552625541	/nfs/dbraw/zinc/62/55/41/552625541.db2.gz	UUJAHAMOXNAOJA-MRXNPFEDSA-N	1	0	374.510	1.772	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)CC1	ZINC000595907247	552631743	/nfs/dbraw/zinc/63/17/43/552631743.db2.gz	AABUCNNTRMBFOW-SESVDKBCSA-N	1	0	374.529	1.571	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1	ZINC000595942488	552636339	/nfs/dbraw/zinc/63/63/39/552636339.db2.gz	ILKRATSOKVBXDO-JKSUJKDBSA-N	1	0	364.471	1.440	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCN(c3ccc(C(=O)OCC)cn3)CC2)CCC[NH2+]1	ZINC000595952357	552637894	/nfs/dbraw/zinc/63/78/94/552637894.db2.gz	PASYHPLWOMOKQW-FQEVSTJZSA-N	1	0	372.469	1.605	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000596070780	552652163	/nfs/dbraw/zinc/65/21/63/552652163.db2.gz	UOQOMYLPLIENAN-GUDVDZBRSA-N	1	0	358.486	1.524	20	30		FDEDRO
N#Cc1cc2cccnc2nc1N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000596175684	552662289	/nfs/dbraw/zinc/66/22/89/552662289.db2.gz	VMCDPAYGQZUJLK-INIZCTEOSA-N	1	0	350.426	1.420	20	30		FDEDRO
CC(C)(NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cccc(C#N)c1	ZINC000596335144	552674675	/nfs/dbraw/zinc/67/46/75/552674675.db2.gz	FXZSNZUNVLYCJF-INIZCTEOSA-N	1	0	371.485	1.680	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)n(CCC#N)n1	ZINC000596569204	552689927	/nfs/dbraw/zinc/68/99/27/552689927.db2.gz	HDIGXOCUTRGNJC-MRXNPFEDSA-N	1	0	372.473	1.282	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCC(O)(CO)CC3)CC2)c1	ZINC000596649306	552696784	/nfs/dbraw/zinc/69/67/84/552696784.db2.gz	YMFULHNUCWYKOU-UHFFFAOYSA-N	1	0	372.469	1.051	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)NCCc3ccc(C#N)cc3)C2)CC1	ZINC000596674061	552700037	/nfs/dbraw/zinc/70/00/37/552700037.db2.gz	XKZAGDYTIYFUIJ-HXUWFJFHSA-N	1	0	369.513	1.911	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1	ZINC000596830399	552715406	/nfs/dbraw/zinc/71/54/06/552715406.db2.gz	NIDGRZYMGPBQPD-ZDUSSCGKSA-N	1	0	356.405	2.489	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1nnn(C(C)(C)C)n1	ZINC000596972565	552730440	/nfs/dbraw/zinc/73/04/40/552730440.db2.gz	AHDLHLDDDJNEAF-UHFFFAOYSA-N	1	0	355.446	1.504	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(C#N)cc1	ZINC000597184605	552758773	/nfs/dbraw/zinc/75/87/73/552758773.db2.gz	LUJBSBFZQDNQDW-KSSFIOAISA-N	1	0	370.453	1.105	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NC(=O)CC2(C#N)CCOCC2)[C@@H](C)C1	ZINC000597257449	552766184	/nfs/dbraw/zinc/76/61/84/552766184.db2.gz	SLSABJIMNIJKMV-IRXDYDNUSA-N	1	0	351.491	1.950	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1	ZINC000597303057	552772215	/nfs/dbraw/zinc/77/22/15/552772215.db2.gz	DIPPXZZFSUEZJZ-DLBZAZTESA-N	1	0	361.511	1.974	20	30		FDEDRO
C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCc1ccc(CC#N)cc1	ZINC000597348029	552778111	/nfs/dbraw/zinc/77/81/11/552778111.db2.gz	VGLANUMIXDOVFK-MRXNPFEDSA-N	1	0	356.470	1.605	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1	ZINC000597380618	552782201	/nfs/dbraw/zinc/78/22/01/552782201.db2.gz	MRXGGXGBWMQRLF-QZTJIDSGSA-N	1	0	350.507	1.084	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H]1CC[N@@H+](CCC)C1	ZINC000597402102	552784749	/nfs/dbraw/zinc/78/47/49/552784749.db2.gz	PJKWHNFBEBCYNW-SFHVURJKSA-N	1	0	354.454	1.673	20	30		FDEDRO
Cn1ccnc1COCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000597478477	552793879	/nfs/dbraw/zinc/79/38/79/552793879.db2.gz	VSCXTLNRGABLAG-UHFFFAOYSA-N	1	0	367.453	1.611	20	30		FDEDRO
Cc1cc(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)nn1-c1cccc(C#N)c1	ZINC000597626374	552814335	/nfs/dbraw/zinc/81/43/35/552814335.db2.gz	SPKSSFAELWUYIY-SFHVURJKSA-N	1	0	364.453	1.172	20	30		FDEDRO
C[C@H]1COCC[N@@H+]1C1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1	ZINC000597676963	552820662	/nfs/dbraw/zinc/82/06/62/552820662.db2.gz	DVIQAXMNQHOJJQ-LPHOPBHVSA-N	1	0	366.465	1.952	20	30		FDEDRO
N#Cc1c(F)cc(C(=O)N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)cc1F	ZINC000597751277	552828579	/nfs/dbraw/zinc/82/85/79/552828579.db2.gz	SXMXBLDNKGHBDA-ZDUSSCGKSA-N	1	0	362.380	1.263	20	30		FDEDRO
CCN(C(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[C@@H]1CC[N@H+](CC)C1	ZINC000598040865	552859601	/nfs/dbraw/zinc/85/96/01/552859601.db2.gz	IAYMNQTVLLAMIP-QGZVFWFLSA-N	1	0	352.442	1.882	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1	ZINC000598584655	552911324	/nfs/dbraw/zinc/91/13/24/552911324.db2.gz	RCXGJNNSCVTTJO-CQSZACIVSA-N	1	0	371.528	1.792	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)CN1CC[NH+](CCCOCC(F)(F)F)CC1	ZINC000598587985	552912017	/nfs/dbraw/zinc/91/20/17/552912017.db2.gz	YJASCQNWNVQTTF-CQSZACIVSA-N	1	0	351.413	1.874	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H](O)CC(C)(C)C#N)CCN1C[C@H](O)CC(C)(C)C#N	ZINC000598593444	552912604	/nfs/dbraw/zinc/91/26/04/552912604.db2.gz	ATINAKMGPVOVEF-BRWVUGGUSA-N	1	0	350.507	1.594	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1	ZINC000598602081	552913959	/nfs/dbraw/zinc/91/39/59/552913959.db2.gz	HKVHPVWRZWPIES-HOTGVXAUSA-N	1	0	357.520	1.614	20	30		FDEDRO
CC(=O)N[C@@]1(c2nc(C)cs2)CC[N@H+](C[C@@H](O)CC(C)(C)C#N)C1	ZINC000598607484	552914995	/nfs/dbraw/zinc/91/49/95/552914995.db2.gz	PRCIBBZZRBSJAE-YOEHRIQHSA-N	1	0	350.488	1.789	20	30		FDEDRO
COc1ccc([C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)N2CCOCC2)cc1	ZINC000598703014	552926962	/nfs/dbraw/zinc/92/69/62/552926962.db2.gz	AXPFLURFSCDYGU-IEBWSBKVSA-N	1	0	361.486	1.959	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O	ZINC000598704175	552927007	/nfs/dbraw/zinc/92/70/07/552927007.db2.gz	FSJIYYSCXJPLBD-YESZJQIVSA-N	1	0	355.438	1.404	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@]1(CO)COCCN1Cc1ccccc1	ZINC000598729053	552928594	/nfs/dbraw/zinc/92/85/94/552928594.db2.gz	GZIBNVOVZAAHGM-UYAOXDASSA-N	1	0	361.486	1.140	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1	ZINC000599101668	552967819	/nfs/dbraw/zinc/96/78/19/552967819.db2.gz	NVOVGBGNJSBNJS-UONOGXRCSA-N	1	0	361.389	1.847	20	30		FDEDRO
CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000599108506	552968887	/nfs/dbraw/zinc/96/88/87/552968887.db2.gz	ZJQXLMWVCNLHAZ-QWHCGFSZSA-N	1	0	358.261	1.740	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH+]2CCC(NC(=O)c3ccccc3)CC2)CCOCC1	ZINC000599260375	553006825	/nfs/dbraw/zinc/00/68/25/553006825.db2.gz	ZLAPUKFLCOOXSZ-IBGZPJMESA-N	1	0	371.481	1.952	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@@H+]2CCCC[C@H]2CN2CCOCC2)CCOCC1	ZINC000599302473	553020956	/nfs/dbraw/zinc/02/09/56/553020956.db2.gz	CYYCIGRRMOEULG-ZWKOTPCHSA-N	1	0	351.491	1.244	20	30		FDEDRO
Cn1cc(C[N@H+](C)C[C@H](O)CC2(C#N)CCOCC2)c(C(F)(F)F)n1	ZINC000599340492	553031799	/nfs/dbraw/zinc/03/17/99/553031799.db2.gz	NVQFZIRBZUVPSP-CYBMUJFWSA-N	1	0	360.380	1.942	20	30		FDEDRO
COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CC#CCN1C(=O)c2ccccc2C1=O	ZINC000599341957	553032145	/nfs/dbraw/zinc/03/21/45/553032145.db2.gz	FQDKIRVRBNVMDS-DYESRHJHSA-N	1	0	368.433	1.998	20	30		FDEDRO
CS(=O)(=O)C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1ccccc1	ZINC000599353132	553035027	/nfs/dbraw/zinc/03/50/27/553035027.db2.gz	FTRSWIUOOOWLQT-IAGOWNOFSA-N	1	0	366.483	1.433	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)CCOCC1	ZINC000599381250	553041114	/nfs/dbraw/zinc/04/11/14/553041114.db2.gz	JDZZCHBJFNACHY-FOIQADDNSA-N	1	0	355.438	1.654	20	30		FDEDRO
CCOC(=O)C[C@@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000599416600	553052332	/nfs/dbraw/zinc/05/23/32/553052332.db2.gz	HHMBHOANCFBBAR-CQSZACIVSA-N	1	0	350.390	1.855	20	30		FDEDRO
C[C@@H]1COCCN1C1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1	ZINC000599424283	553054300	/nfs/dbraw/zinc/05/43/00/553054300.db2.gz	MJBQATYFULZRQO-AEFFLSMTSA-N	1	0	351.491	1.243	20	30		FDEDRO
COCC[N@@H+](Cc1c(C)nn(C)c1C)C[C@@H](O)COc1ccccc1C#N	ZINC000599437599	553056688	/nfs/dbraw/zinc/05/66/88/553056688.db2.gz	PPYAMQYLDRNOPG-GOSISDBHSA-N	1	0	372.469	1.797	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)CCOCC1	ZINC000599440158	553057561	/nfs/dbraw/zinc/05/75/61/553057561.db2.gz	LYVMZALKYISENW-ZWKOTPCHSA-N	1	0	366.502	1.605	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C	ZINC000599442211	553058326	/nfs/dbraw/zinc/05/83/26/553058326.db2.gz	QOAYTZHVDXTHEC-WMZOPIPTSA-N	1	0	364.515	1.967	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](N3CCC([NH+]4CCOCC4)CC3)C2=O)cc1	ZINC000599472770	553067490	/nfs/dbraw/zinc/06/74/90/553067490.db2.gz	POYZYQJGHNXYBJ-FQEVSTJZSA-N	1	0	368.481	1.850	20	30		FDEDRO
CCC1([NH+]2CCOCC2)CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC1	ZINC000599668976	553117501	/nfs/dbraw/zinc/11/75/01/553117501.db2.gz	JTLIQLZJJOIHTE-SFHVURJKSA-N	1	0	350.507	1.618	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1F	ZINC000599901206	553171694	/nfs/dbraw/zinc/17/16/94/553171694.db2.gz	YBWZMBDSSNVBMV-CMPLNLGQSA-N	1	0	372.322	1.622	20	30		FDEDRO
N#Cc1ccsc1NC(=O)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1	ZINC000599904037	553171877	/nfs/dbraw/zinc/17/18/77/553171877.db2.gz	TYQSLILVYDWNQR-CQSZACIVSA-N	1	0	362.455	1.175	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@H]2C)c(F)cc1C#N	ZINC000599932620	553176509	/nfs/dbraw/zinc/17/65/09/553176509.db2.gz	XJCSLKWVDIZBDR-GFCCVEGCSA-N	1	0	362.405	1.635	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1	ZINC000599939728	553179275	/nfs/dbraw/zinc/17/92/75/553179275.db2.gz	YODWSKYNHPRKFM-AOIWGVFYSA-N	1	0	357.454	1.629	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)cnc1C(F)(F)F	ZINC000599939351	553179426	/nfs/dbraw/zinc/17/94/26/553179426.db2.gz	HUKGJWOFPHUQPI-OLZOCXBDSA-N	1	0	354.332	1.253	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1	ZINC000599939731	553179439	/nfs/dbraw/zinc/17/94/39/553179439.db2.gz	YODWSKYNHPRKFM-LNLFQRSKSA-N	1	0	357.454	1.629	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1	ZINC000599943078	553180375	/nfs/dbraw/zinc/18/03/75/553180375.db2.gz	ASZQVTPWBOVDSA-GHMZBOCLSA-N	1	0	353.410	1.008	20	30		FDEDRO
CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cc(OC)c(C#N)cc2F)C1	ZINC000599953038	553184097	/nfs/dbraw/zinc/18/40/97/553184097.db2.gz	UASMJBWMAXGZCK-CYBMUJFWSA-N	1	0	362.405	1.587	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1	ZINC000599955530	553184605	/nfs/dbraw/zinc/18/46/05/553184605.db2.gz	JDQNYFBZXPGPGO-NEPJUHHUSA-N	1	0	367.437	1.398	20	30		FDEDRO
Cn1cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c(-c2ccco2)n1	ZINC000599974936	553190209	/nfs/dbraw/zinc/19/02/09/553190209.db2.gz	NWLHTEVMJCIRKJ-UHFFFAOYSA-N	1	0	372.429	1.313	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c(F)cc1C#N	ZINC000599976480	553190541	/nfs/dbraw/zinc/19/05/41/553190541.db2.gz	DZHTTZJOXAAAED-MLGOLLRUSA-N	1	0	374.416	1.730	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1	ZINC000600047092	553208168	/nfs/dbraw/zinc/20/81/68/553208168.db2.gz	GJCYHHITNIBECK-UHFFFAOYSA-N	1	0	370.453	1.519	20	30		FDEDRO
CCN(Cc1ccccc1)C(=O)C[NH2+]C[C@H](O)CC1(C#N)CCOCC1	ZINC000600721945	553307252	/nfs/dbraw/zinc/30/72/52/553307252.db2.gz	OVODFONMKOUGOK-GOSISDBHSA-N	1	0	359.470	1.696	20	30		FDEDRO
COc1cc(OC)cc(N2CC[C@@H]([NH2+]C[C@@H](O)CC3(C#N)CC3)C2=O)c1	ZINC000600727425	553308123	/nfs/dbraw/zinc/30/81/23/553308123.db2.gz	IGGRJQKTHPEJDT-WMLDXEAASA-N	1	0	359.426	1.453	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCOc1ccc([N+](=O)[O-])cc1	ZINC000600728348	553308284	/nfs/dbraw/zinc/30/82/84/553308284.db2.gz	TVGXSPMJLQEQBD-INIZCTEOSA-N	1	0	357.366	1.875	20	30		FDEDRO
Cn1cc([C@H]2[C@H](C[NH2+]C[C@H](O)CC3(C#N)CC3)CC(=O)N2C(C)(C)C)cn1	ZINC000600734634	553308971	/nfs/dbraw/zinc/30/89/71/553308971.db2.gz	IRJGLQFAFYAROA-YXJHDRRASA-N	1	0	373.501	1.753	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2=O)CCOCC1	ZINC000600736771	553309220	/nfs/dbraw/zinc/30/92/20/553309220.db2.gz	QSXOMAFNMLXUAF-SJORKVTESA-N	1	0	361.417	1.592	20	30		FDEDRO
N#CC1(C[C@@H](O)CNc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)CCOCC1	ZINC000600736492	553309258	/nfs/dbraw/zinc/30/92/58/553309258.db2.gz	ARFVPCMEWKJKNW-RTBURBONSA-N	1	0	359.470	1.736	20	30		FDEDRO
COC[C@@]1(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)OCCc2ccccc21	ZINC000600741821	553309670	/nfs/dbraw/zinc/30/96/70/553309670.db2.gz	QNNYTXITYIWVTM-GHTZIAJQSA-N	1	0	374.481	1.762	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]C[C@@H](CO)Cc2ccncc2Cl)CCOCC1	ZINC000600749659	553310989	/nfs/dbraw/zinc/31/09/89/553310989.db2.gz	QULWQWPKXDWPCC-GOEBONIOSA-N	1	0	367.877	1.547	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H]1CN(c2ccc(Cl)cc2)CCO1	ZINC000600756493	553311979	/nfs/dbraw/zinc/31/19/79/553311979.db2.gz	QFXWQNVMERGZJB-ROUUACIJSA-N	1	0	366.893	1.341	20	30		FDEDRO
C[NH+](C)CCCS(=O)(=O)N1CCN(c2cccc(F)c2C#N)CC1	ZINC000601304668	553372305	/nfs/dbraw/zinc/37/23/05/553372305.db2.gz	QORZXLBWZLYTET-UHFFFAOYSA-N	1	0	354.451	1.101	20	30		FDEDRO
COC1(CS(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CCC1	ZINC000601308370	553373317	/nfs/dbraw/zinc/37/33/17/553373317.db2.gz	QBBYVIHWGNXKIG-UHFFFAOYSA-N	1	0	365.499	1.821	20	30		FDEDRO
N#CCc1ccc(CS(=O)(=O)N2CCC[C@H](N3CCOCC3)C2)cc1	ZINC000601424587	553402294	/nfs/dbraw/zinc/40/22/94/553402294.db2.gz	MWQUAOLFMNUROV-SFHVURJKSA-N	1	0	363.483	1.379	20	30		FDEDRO
Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)[C@H]1CCC[C@@H]1C#N	ZINC000601507554	553423778	/nfs/dbraw/zinc/42/37/78/553423778.db2.gz	DGTZBUSWTVPDJI-CABCVRRESA-N	1	0	353.492	1.374	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCCN(c2cc[nH+]cc2)CC1	ZINC000601515755	553425600	/nfs/dbraw/zinc/42/56/00/553425600.db2.gz	BHWUPWLZVKNNOD-OAHLLOKOSA-N	1	0	351.476	1.320	20	30		FDEDRO
N#Cc1cc(F)ccc1S(=O)(=O)N1CCCN(c2cc[nH+]cc2)CC1	ZINC000601520404	553426839	/nfs/dbraw/zinc/42/68/39/553426839.db2.gz	KTUNJXFZBQSUFD-UHFFFAOYSA-N	1	0	360.414	1.993	20	30		FDEDRO
C[NH+](C)C[C@@H](NC(=O)Cn1cnc(C#N)n1)c1cccc(C(F)(F)F)c1	ZINC000601703212	553459787	/nfs/dbraw/zinc/45/97/87/553459787.db2.gz	KOHJZJXGPSHABN-CYBMUJFWSA-N	1	0	366.347	1.588	20	30		FDEDRO
C[C@](O)(C[C@H](O)C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1CC1	ZINC000601967170	553496711	/nfs/dbraw/zinc/49/67/11/553496711.db2.gz	UHVZUAQEBVTJMV-NSHGMRRFSA-N	1	0	357.454	1.555	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]CCn2ccc(C(F)(F)F)n2)cc1	ZINC000601969892	553497644	/nfs/dbraw/zinc/49/76/44/553497644.db2.gz	GJGQGGCGJQYFOO-AWEZNQCLSA-N	1	0	368.359	1.997	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCO[C@@H](C(F)F)CC2)CC1	ZINC000601978539	553498621	/nfs/dbraw/zinc/49/86/21/553498621.db2.gz	YQDSWOBRNDBJMT-HUUCEWRRSA-N	1	0	358.433	1.035	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3C[C@@H]4COC[C@@H]4C3)CC2)c1	ZINC000602008900	553501112	/nfs/dbraw/zinc/50/11/12/553501112.db2.gz	VSGIHPLCBFHBNQ-HDICACEKSA-N	1	0	354.454	1.810	20	30		FDEDRO
COC(=O)c1ccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1C	ZINC000602015598	553501734	/nfs/dbraw/zinc/50/17/34/553501734.db2.gz	NUGCGQJEMQACIY-KRWDZBQOSA-N	1	0	366.421	1.969	20	30		FDEDRO
N#Cc1cc(F)cc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1	ZINC000602023963	553502589	/nfs/dbraw/zinc/50/25/89/553502589.db2.gz	MCUKRUJKNSUDBN-KRWDZBQOSA-N	1	0	374.416	1.349	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CC[N@@H+]3C3CCCC3)CC2)c1C#N	ZINC000602145174	553527779	/nfs/dbraw/zinc/52/77/79/553527779.db2.gz	YQHAFPHHLBBERO-KRWDZBQOSA-N	1	0	356.474	1.266	20	30		FDEDRO
N#Cc1ccccc1NC1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1	ZINC000602191107	553536515	/nfs/dbraw/zinc/53/65/15/553536515.db2.gz	KDVCQHHNSJWZFG-LJQANCHMSA-N	1	0	353.470	1.351	20	30		FDEDRO
CC(C)[C@H]1CN(C(=O)NCC(=O)NCC#N)CC[N@@H+]1Cc1ccccc1	ZINC000602312492	553561561	/nfs/dbraw/zinc/56/15/61/553561561.db2.gz	LIJPYTPYBMHFHN-QGZVFWFLSA-N	1	0	357.458	1.178	20	30		FDEDRO
COc1cccc(C[C@@H]([NH3+])C(=O)N2CCN(c3ccsc3C#N)CC2)c1	ZINC000602518505	553596869	/nfs/dbraw/zinc/59/68/69/553596869.db2.gz	OZHUMSQYIDZTKW-MRXNPFEDSA-N	1	0	370.478	1.847	20	30		FDEDRO
COCCNS(=O)(=O)c1ccc(C[NH2+]C2CCC(C#N)CC2)cc1	ZINC000602531015	553599584	/nfs/dbraw/zinc/59/95/84/553599584.db2.gz	VLKLOOGOOJEPJZ-UHFFFAOYSA-N	1	0	351.472	1.783	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(CCN2CCOCC2)C1	ZINC000602545776	553603877	/nfs/dbraw/zinc/60/38/77/553603877.db2.gz	PUCLIMGTAGIZFI-MSOLQXFVSA-N	1	0	350.507	1.081	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1	ZINC000602570724	553606927	/nfs/dbraw/zinc/60/69/27/553606927.db2.gz	IDXYIFUMJZCAOP-KGLIPLIRSA-N	1	0	372.512	1.571	20	30		FDEDRO
COC[C@]1(C(=O)OC(C)(C)C)CC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1	ZINC000602730380	553628225	/nfs/dbraw/zinc/62/82/25/553628225.db2.gz	BTCSMBBQOQOMIR-IBGZPJMESA-N	1	0	371.441	1.781	20	30		FDEDRO
Cc1ncc(CNC(=O)CC[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)s1	ZINC000602839511	553648184	/nfs/dbraw/zinc/64/81/84/553648184.db2.gz	KDZZEMIGXNQHLQ-HNNXBMFYSA-N	1	0	371.466	1.878	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CCN2CCCN(c3cc[nH+]cc3)CC2)c1	ZINC000602845959	553648938	/nfs/dbraw/zinc/64/89/38/553648938.db2.gz	NTXSXOMVRCWYEH-UHFFFAOYSA-N	1	0	370.478	1.939	20	30		FDEDRO
C[C@@H]1CN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@H](C)N1CC#N	ZINC000602852276	553651275	/nfs/dbraw/zinc/65/12/75/553651275.db2.gz	ARGYICSRWNNHLV-ZIFCJYIRSA-N	1	0	357.502	1.324	20	30		FDEDRO
C[C@@H]1C[NH+](CCCCN2C(=O)c3ccccc3C2=O)C[C@@H](C)N1CC#N	ZINC000602857339	553652657	/nfs/dbraw/zinc/65/26/57/553652657.db2.gz	QVVQJIJNWRTQKN-HZPDHXFCSA-N	1	0	354.454	1.981	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCCCN2C(=O)c3ccccc3C2=O)C[C@H](C)N1CC#N	ZINC000602857341	553652799	/nfs/dbraw/zinc/65/27/99/553652799.db2.gz	QVVQJIJNWRTQKN-IYBDPMFKSA-N	1	0	354.454	1.981	20	30		FDEDRO
COc1ccc(Cl)cc1CNC(=O)CN1C[C@@H](C)N(CC#N)[C@@H](C)C1	ZINC000602864903	553654358	/nfs/dbraw/zinc/65/43/58/553654358.db2.gz	RAIAGJRJQUPJGZ-OKILXGFUSA-N	1	0	364.877	1.883	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1	ZINC000602886896	553660106	/nfs/dbraw/zinc/66/01/06/553660106.db2.gz	KFHDZFLZDGFCPR-ZFWWWQNUSA-N	1	0	353.426	1.819	20	30		FDEDRO
Cc1cc(N(CCC#N)C(=O)CN2C[C@H](O)C[C@]2(C)CO)ccc1Cl	ZINC000602905117	553665860	/nfs/dbraw/zinc/66/58/60/553665860.db2.gz	FXTLDMSCXCEAFF-CRAIPNDOSA-N	1	0	365.861	1.713	20	30		FDEDRO
C[C@@]1(CO)C[C@H](O)CN1CC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000602908359	553666376	/nfs/dbraw/zinc/66/63/76/553666376.db2.gz	OKOZOUFORRJZJA-SGTLLEGYSA-N	1	0	363.483	1.645	20	30		FDEDRO
C[NH+](C)C[C@H]1COC2(CCCC2)CN1CC(=O)N(CCC#N)CCC#N	ZINC000602915548	553668585	/nfs/dbraw/zinc/66/85/85/553668585.db2.gz	YTPFKURLWOWOTL-KRWDZBQOSA-N	1	0	361.490	1.218	20	30		FDEDRO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1	ZINC000602935393	553673804	/nfs/dbraw/zinc/67/38/04/553673804.db2.gz	LXSIAPMXQSNTON-XESAMHQKSA-N	1	0	374.485	1.290	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([NH+]3CCC(CCO)(CCO)CC3)C2=O)cc1	ZINC000602966704	553682228	/nfs/dbraw/zinc/68/22/28/553682228.db2.gz	OVVNADGZZZOULA-SFHVURJKSA-N	1	0	357.454	1.511	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[N@H+](C)C(C)(C)C2)cc1	ZINC000602990958	553687495	/nfs/dbraw/zinc/68/74/95/553687495.db2.gz	NXFVSIDLCXVNBI-CYBMUJFWSA-N	1	0	364.471	1.930	20	30		FDEDRO
C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCN(C(=O)CC#N)CC3)ccc21	ZINC000603028693	553697328	/nfs/dbraw/zinc/69/73/28/553697328.db2.gz	FDOBCODIDCQLJR-KRWDZBQOSA-N	1	0	355.442	1.825	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](C(=O)N[C@H](CO)C[NH+]3CCCC3)C2)c(F)c1	ZINC000603051746	553701697	/nfs/dbraw/zinc/70/16/97/553701697.db2.gz	DTKWMHSKRICQCW-HOTGVXAUSA-N	1	0	360.433	1.097	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](C(=O)N[C@@H](CO)C[NH+]3CCCC3)C2)c(F)c1	ZINC000603051749	553701786	/nfs/dbraw/zinc/70/17/86/553701786.db2.gz	DTKWMHSKRICQCW-JKSUJKDBSA-N	1	0	360.433	1.097	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)n1cc(C[C@H]2CC[NH2+]C2)nn1	ZINC000603175864	553722726	/nfs/dbraw/zinc/72/27/26/553722726.db2.gz	MVJWPZOKAGPECE-JKSUJKDBSA-N	1	0	352.442	1.938	20	30		FDEDRO
COCC[C@@H]([NH3+])Cc1cn(Cc2ccc(C#N)cc2Br)nn1	ZINC000603243012	553741131	/nfs/dbraw/zinc/74/11/31/553741131.db2.gz	GZZDVSLXSUTZAF-CYBMUJFWSA-N	1	0	364.247	1.867	20	30		FDEDRO
C[N@@H+]1CCCN(CCCNS(=O)(=O)Cc2cccc(C#N)c2)CC1	ZINC000603402640	553780420	/nfs/dbraw/zinc/78/04/20/553780420.db2.gz	MUBXGNPQFUXYKQ-UHFFFAOYSA-N	1	0	350.488	1.005	20	30		FDEDRO
N#CCc1cccc(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)c1	ZINC000603410626	553781836	/nfs/dbraw/zinc/78/18/36/553781836.db2.gz	XCUTUQXEZIKBLK-LJQANCHMSA-N	1	0	356.470	1.279	20	30		FDEDRO
C=CCSCCNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000603427232	553785690	/nfs/dbraw/zinc/78/56/90/553785690.db2.gz	FPWOXKZZTGYUGF-MRXNPFEDSA-N	1	0	356.536	1.001	20	30		FDEDRO
CC1(C#N)CCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1	ZINC000603436594	553788320	/nfs/dbraw/zinc/78/83/20/553788320.db2.gz	OGLZTVHSSVOHOZ-KRWDZBQOSA-N	1	0	363.506	1.118	20	30		FDEDRO
C[C@@H]1CN(C[C@@H](O)C[N@@H+]2CCCN(c3ccccc3C#N)CC2)C[C@@H](C)O1	ZINC000604416342	553875836	/nfs/dbraw/zinc/87/58/36/553875836.db2.gz	UQGLQAPIZVZIRF-GGPKGHCWSA-N	1	0	372.513	1.540	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NCC[N@@H+](C)CCCOC)cc2C1=O	ZINC000607701965	554170426	/nfs/dbraw/zinc/17/04/26/554170426.db2.gz	NDOWJARSJWSDSC-UHFFFAOYSA-N	1	0	359.426	1.167	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cncc(F)c1	ZINC000608887376	554327204	/nfs/dbraw/zinc/32/72/04/554327204.db2.gz	WJYFBPMFJCNSMQ-UHFFFAOYSA-N	1	0	362.430	1.845	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]C3CCN(c4ccc(C#N)cn4)CC3)cnc12	ZINC000608983066	554332701	/nfs/dbraw/zinc/33/27/01/554332701.db2.gz	ZKYCHDWWRHLLPO-UHFFFAOYSA-N	1	0	358.409	1.626	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cc(C#N)ccc2OC)CC1=O	ZINC000609213769	554350034	/nfs/dbraw/zinc/35/00/34/554350034.db2.gz	ICMHCHXASPQGEE-HZPDHXFCSA-N	1	0	370.453	1.838	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2ccc(F)c(C#N)c2)CC1	ZINC000609352657	554371563	/nfs/dbraw/zinc/37/15/63/554371563.db2.gz	LLSCXJLRTWYPJO-UHFFFAOYSA-N	1	0	369.462	1.865	20	30		FDEDRO
N#CCN1CCC(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC1	ZINC000609506283	554385240	/nfs/dbraw/zinc/38/52/40/554385240.db2.gz	YAYNEJFFVSWULO-UHFFFAOYSA-N	1	0	369.513	1.693	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H]1CCCN1c1cccnn1)C(=O)NC1(C#N)CCCCC1	ZINC000609574718	554396001	/nfs/dbraw/zinc/39/60/01/554396001.db2.gz	FBEBUFJKCQBGMA-CVEARBPZSA-N	1	0	356.474	1.766	20	30		FDEDRO
C[C@@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C1CC[NH+](C)CC1	ZINC000609583461	554397514	/nfs/dbraw/zinc/39/75/14/554397514.db2.gz	KAFJTODGBAYFPZ-CYBMUJFWSA-N	1	0	352.442	1.786	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CCN1Cc1ccccc1	ZINC000609642199	554407190	/nfs/dbraw/zinc/40/71/90/554407190.db2.gz	DDOHAVQSZAVPNM-IEBWSBKVSA-N	1	0	353.470	1.643	20	30		FDEDRO
N#Cc1ccc([C@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)C(N)=O)cc1	ZINC000609825179	554425881	/nfs/dbraw/zinc/42/58/81/554425881.db2.gz	JXSLPIFFLCVKPJ-IBGZPJMESA-N	1	0	362.433	1.979	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC[N@H+](C[C@H]2CCCO2)CC1	ZINC000610002390	554447921	/nfs/dbraw/zinc/44/79/21/554447921.db2.gz	FURHMAIVDFPPSL-LMMKCTJWSA-N	1	0	350.507	1.616	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC2CCN(CC#N)CC2)C1	ZINC000610460503	554511971	/nfs/dbraw/zinc/51/19/71/554511971.db2.gz	IJFKJHVSJKEYPU-KRWDZBQOSA-N	1	0	351.495	1.117	20	30		FDEDRO
CC(C)(CO)[NH+]1CCN(CC(=O)Nc2ccccc2SCC#N)CC1	ZINC000610481202	554516697	/nfs/dbraw/zinc/51/66/97/554516697.db2.gz	PJEXVFDRXFPKQB-UHFFFAOYSA-N	1	0	362.499	1.629	20	30		FDEDRO
C[NH+](C)CCCOC1CCN(C(=O)NC2CCN(CC#N)CC2)CC1	ZINC000610509784	554520385	/nfs/dbraw/zinc/52/03/85/554520385.db2.gz	OMOFDSZLPUBUOV-UHFFFAOYSA-N	1	0	351.495	1.117	20	30		FDEDRO
C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)CCCC[NH+](C)C	ZINC000610808938	554565210	/nfs/dbraw/zinc/56/52/10/554565210.db2.gz	ITULZBBEVFYOSF-CQSZACIVSA-N	1	0	366.487	1.025	20	30		FDEDRO
Cc1cc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ncn1	ZINC000611140578	554609309	/nfs/dbraw/zinc/60/93/09/554609309.db2.gz	VSRWMEJGOGBEAA-UHFFFAOYSA-N	1	0	352.442	1.930	20	30		FDEDRO
CNC(=O)[C@@H](NC(=O)C[NH2+][C@H](C)c1cccc(C#N)c1)c1ccccc1	ZINC000611388648	554630586	/nfs/dbraw/zinc/63/05/86/554630586.db2.gz	QWKHAIFHHOUMFC-KUHUBIRLSA-N	1	0	350.422	1.812	20	30		FDEDRO
Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@@H](C)c1cccc(C#N)c1	ZINC000611387075	554630641	/nfs/dbraw/zinc/63/06/41/554630641.db2.gz	DTOQGFYQNSNZCL-ZDUSSCGKSA-N	1	0	372.450	1.803	20	30		FDEDRO
N#CC1(NC(=O)CCN2CCCC2=O)CC[NH+](Cc2ccccc2)CC1	ZINC000611498638	554638234	/nfs/dbraw/zinc/63/82/34/554638234.db2.gz	STGNPLAXFGGDJX-UHFFFAOYSA-N	1	0	354.454	1.673	20	30		FDEDRO
Cc1onc(CC(=O)Nc2ccc(C[NH+]3CCC(O)CC3)cc2)c1C#N	ZINC000611529041	554642248	/nfs/dbraw/zinc/64/22/48/554642248.db2.gz	KSUVIFPJKDTJQZ-UHFFFAOYSA-N	1	0	354.410	1.993	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000611552658	554645318	/nfs/dbraw/zinc/64/53/18/554645318.db2.gz	HJSQNMQGYUPZRN-SFHVURJKSA-N	1	0	357.433	1.770	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1	ZINC000611875708	554694728	/nfs/dbraw/zinc/69/47/28/554694728.db2.gz	UPEGWHMLRKMJEY-ROUUACIJSA-N	1	0	363.502	1.322	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@H](CC(N)=O)C2CCCCC2)cc1	ZINC000612489948	554793201	/nfs/dbraw/zinc/79/32/01/554793201.db2.gz	KEFFUJCVUQTYCC-IEBWSBKVSA-N	1	0	359.470	1.906	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN(C(=O)C2CC2)CC1)C(C)C	ZINC000612728672	554831987	/nfs/dbraw/zinc/83/19/87/554831987.db2.gz	LXTKPFUIIBQAAZ-GOSISDBHSA-N	1	0	362.518	1.949	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCOC3(CCOCC3)CC2)cc1	ZINC000613587920	554942085	/nfs/dbraw/zinc/94/20/85/554942085.db2.gz	SGHIHAREEVBZOG-GOSISDBHSA-N	1	0	360.454	1.764	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NCCC[NH+](CC)CC)c1	ZINC000614598072	555077819	/nfs/dbraw/zinc/07/78/19/555077819.db2.gz	HRSMOIHXTNVRQW-UHFFFAOYSA-N	1	0	353.488	1.613	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)CN2CC[N@H+](CCO)C(C)(C)C2)c1C	ZINC000614920856	555137493	/nfs/dbraw/zinc/13/74/93/555137493.db2.gz	UXXOTGNMNCTTPU-UHFFFAOYSA-N	1	0	372.513	1.939	20	30		FDEDRO
C=C[C@](C)(O)C(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1	ZINC000615952925	555258961	/nfs/dbraw/zinc/25/89/61/555258961.db2.gz	ITTIQIZJEFYFHV-FQEVSTJZSA-N	1	0	373.497	1.411	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCCC(C)(C)C2)n(CCC#N)n1	ZINC000618550209	555647949	/nfs/dbraw/zinc/64/79/49/555647949.db2.gz	CLAOJTVZCIAVCK-UHFFFAOYSA-N	1	0	360.462	1.282	20	30		FDEDRO
C[N@H+]1C[C@H]2CN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)C[C@H]2C1	ZINC000618875901	555689951	/nfs/dbraw/zinc/68/99/51/555689951.db2.gz	UTGOTHVWSRRUMS-IYBDPMFKSA-N	1	0	361.467	1.398	20	30		FDEDRO
CC(C)[C@H](CNS(=O)(=O)c1cccc(CC#N)c1)N1CC[NH+](C)CC1	ZINC000619486975	555786226	/nfs/dbraw/zinc/78/62/26/555786226.db2.gz	OJYKEODNRDEUDV-SFHVURJKSA-N	1	0	364.515	1.303	20	30		FDEDRO
C[C@@H](C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C)n1cnc(C#N)n1	ZINC000619613872	555809201	/nfs/dbraw/zinc/80/92/01/555809201.db2.gz	LLXBTKGXTTVPQM-CVEARBPZSA-N	1	0	352.442	1.834	20	30		FDEDRO
Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000619739673	555829020	/nfs/dbraw/zinc/82/90/20/555829020.db2.gz	BVXUWHQOJGKTAL-KRWDZBQOSA-N	1	0	352.442	1.655	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1	ZINC000619871686	555846609	/nfs/dbraw/zinc/84/66/09/555846609.db2.gz	TYQJCPFVTCZZGO-QGZVFWFLSA-N	1	0	373.453	1.659	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCN(c3ccc(F)cc3C(N)=O)CC2)CCC[NH2+]1	ZINC000621677252	556138260	/nfs/dbraw/zinc/13/82/60/556138260.db2.gz	YHQVHPQKDRPBLN-IBGZPJMESA-N	1	0	360.433	1.272	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1	ZINC000625561690	556854149	/nfs/dbraw/zinc/85/41/49/556854149.db2.gz	DFNXYKGXISVSHP-DLBZAZTESA-N	1	0	364.534	1.189	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000625629929	556884344	/nfs/dbraw/zinc/88/43/44/556884344.db2.gz	JDZBTAGFYWRYGW-INIZCTEOSA-N	1	0	351.491	1.276	20	30		FDEDRO
O=C(NCC[N@H+]1CC[C@@H](O)C1)Nc1cccc(C#Cc2ccccn2)c1	ZINC000626376686	557067152	/nfs/dbraw/zinc/06/71/52/557067152.db2.gz	ZVKINSXPHWVHPN-LJQANCHMSA-N	1	0	350.422	1.670	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1	ZINC000627434781	557400736	/nfs/dbraw/zinc/40/07/36/557400736.db2.gz	SQBLQCWYJCHQQS-HZPDHXFCSA-N	1	0	351.491	1.450	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)cc1	ZINC000633040487	558247700	/nfs/dbraw/zinc/24/77/00/558247700.db2.gz	XOTSGCVQXAJFFI-HOCLYGCPSA-N	1	0	370.453	1.387	20	30		FDEDRO
C=CCn1c(-c2cn(C)nn2)nnc1N1CCC(C)([NH+]2CCCC2)CC1	ZINC000634340627	558452878	/nfs/dbraw/zinc/45/28/78/558452878.db2.gz	UXZWOLSCPFXKRK-UHFFFAOYSA-N	1	0	356.478	1.714	20	30		FDEDRO
C=CCn1c([C@@H]2CN(C)C[C@H](C)O2)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1	ZINC000634340533	558452922	/nfs/dbraw/zinc/45/29/22/558452922.db2.gz	RGUGWKRGGMNCHG-BBWFWOEESA-N	1	0	362.522	1.632	20	30		FDEDRO
C[C@H]([NH2+]CCC(=O)N(C)CCC#N)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000271858520	674389760	/nfs/dbraw/zinc/38/97/60/674389760.db2.gz	SXLCZABMQYHVMK-AWEZNQCLSA-N	1	0	366.487	1.350	20	30		FDEDRO
CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000482182169	568302522	/nfs/dbraw/zinc/30/25/22/568302522.db2.gz	PPKXBNLDBKOHTE-KGLIPLIRSA-N	1	0	366.487	1.072	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H](O)[C@H](O)c2nc3ccccc3s2)CC1	ZINC000272519835	674453638	/nfs/dbraw/zinc/45/36/38/674453638.db2.gz	VREGYQPKSUQYJZ-HOTGVXAUSA-N	1	0	361.467	1.457	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1	ZINC000272821408	674477859	/nfs/dbraw/zinc/47/78/59/674477859.db2.gz	FVVOYVRCBMULKQ-AWEZNQCLSA-N	1	0	372.512	1.478	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)C1CC[NH+](Cc2ccccc2)CC1	ZINC000272840369	674480093	/nfs/dbraw/zinc/48/00/93/674480093.db2.gz	JLELMMDZXDICSU-UHFFFAOYSA-N	1	0	350.484	1.616	20	30		FDEDRO
C[NH+](C)CCNC(=O)C1CC[NH+]([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1	ZINC000830613785	601313468	/nfs/dbraw/zinc/31/34/68/601313468.db2.gz	GPVAIOWVCXMCBN-KRWDZBQOSA-N	1	0	358.442	1.074	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(C#N)cc2C)c1-c1nn[nH]n1	ZINC000826084263	608022472	/nfs/dbraw/zinc/02/24/72/608022472.db2.gz	XDZDJKVSHRBGDI-UHFFFAOYSA-N	1	0	365.401	1.174	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cccnc2C#N)[C@H](C)C1	ZINC000277061171	674847842	/nfs/dbraw/zinc/84/78/42/674847842.db2.gz	RGDLBSNFTCINAE-CABCVRRESA-N	1	0	366.487	1.369	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(F)cc1)S(=O)(=O)c1cccnc1C#N	ZINC000277116539	674861992	/nfs/dbraw/zinc/86/19/92/674861992.db2.gz	YMMYISGKLZBOJO-UHFFFAOYSA-N	1	0	362.430	1.845	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NC[C@@H](CO)Cc1cccc(Br)c1	ZINC000277504255	674956551	/nfs/dbraw/zinc/95/65/51/674956551.db2.gz	VUCUDRBHNVCZFI-AAEUAGOBSA-N	1	0	358.280	1.539	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1	ZINC000278535870	675150421	/nfs/dbraw/zinc/15/04/21/675150421.db2.gz	SJRRRIWFYLDXMR-UHFFFAOYSA-N	1	0	363.483	1.245	20	30		FDEDRO
C=CC[NH+](CC=C)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000045914422	670985353	/nfs/dbraw/zinc/98/53/53/670985353.db2.gz	MZDCXKXPWNIDPW-UHFFFAOYSA-N	1	0	366.483	1.760	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)NCCC[NH+](CC)CC)c1	ZINC000055170887	671229186	/nfs/dbraw/zinc/22/91/86/671229186.db2.gz	ANZYAHOCNYSNCT-UHFFFAOYSA-N	1	0	351.472	1.060	20	30		FDEDRO
C=CCN(Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000092361039	671516416	/nfs/dbraw/zinc/51/64/16/671516416.db2.gz	MDAKPAVJDDDBSY-KRWDZBQOSA-N	1	0	352.500	1.802	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCC[N@H+](C)C2CCCCC2)CC1	ZINC000104168542	671594633	/nfs/dbraw/zinc/59/46/33/671594633.db2.gz	RTDWLHPVVSSADA-UHFFFAOYSA-N	1	0	353.511	1.776	20	30		FDEDRO
C=C(Br)CNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1	ZINC000119031311	671669745	/nfs/dbraw/zinc/66/97/45/671669745.db2.gz	VLJGBIGKKJISHN-KBPBESRZSA-N	1	0	360.296	1.962	20	30		FDEDRO
C[C@@H]([NH2+]CCC(=O)N(C)CCC#N)c1cccc(NS(C)(=O)=O)c1	ZINC000119051653	671669805	/nfs/dbraw/zinc/66/98/05/671669805.db2.gz	ZPVWRYXEIBFXBP-CYBMUJFWSA-N	1	0	352.460	1.471	20	30		FDEDRO
CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C#CC[NH+](CC)CC)cc1	ZINC000121440283	671704615	/nfs/dbraw/zinc/70/46/15/671704615.db2.gz	YDSLQEVQZNZBIT-OAHLLOKOSA-N	1	0	366.483	1.875	20	30		FDEDRO
CCc1ccc(NC(=[NH2+])NC[C@H](O)CS(=O)(=O)c2cccs2)cc1	ZINC000130775057	671797331	/nfs/dbraw/zinc/79/73/31/671797331.db2.gz	HVWBWEKOMZLLPE-AWEZNQCLSA-N	1	0	367.496	1.872	20	30		FDEDRO
CC[NH+]=C(NCC1CCN(C(C)=O)CC1)NC[C@]1(C)CCCC[C@H]1O	ZINC000130763499	671797414	/nfs/dbraw/zinc/79/74/14/671797414.db2.gz	MBGKKJJWEGGBLG-MJGOQNOKSA-N	1	0	352.523	1.741	20	30		FDEDRO
[NH2+]=C(NCCN1CCN(c2cccc(Cl)c2)CC1)N1CCSCC1	ZINC000153316630	671899230	/nfs/dbraw/zinc/89/92/30/671899230.db2.gz	JRSROMHXKDNUGC-UHFFFAOYSA-N	1	0	367.950	1.826	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NCCNS(=O)(=O)c2cccs2)cc1	ZINC000160475242	672002168	/nfs/dbraw/zinc/00/21/68/672002168.db2.gz	NOOQUYSXAZBRSM-UHFFFAOYSA-N	1	0	354.457	1.462	20	30		FDEDRO
CC(C)(CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)NS(C)(=O)=O	ZINC000160731678	672004271	/nfs/dbraw/zinc/00/42/71/672004271.db2.gz	FDVCUXNGIPWAJI-UHFFFAOYSA-N	1	0	368.381	1.640	20	30		FDEDRO
C=CCn1c(C)nn(CN2CC[NH+](CC3CCOCC3)CC2)c1=S	ZINC000172407471	672067635	/nfs/dbraw/zinc/06/76/35/672067635.db2.gz	VHMLDTGETBTQSK-UHFFFAOYSA-N	1	0	351.520	1.910	20	30		FDEDRO
C[NH+](C)CCCOC1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1	ZINC000288280670	675986703	/nfs/dbraw/zinc/98/67/03/675986703.db2.gz	IRFZACUTEPNRDU-UHFFFAOYSA-N	1	0	365.499	1.821	20	30		FDEDRO
C[NH+]=C(NCc1ccco1)NCc1cccc(N2CCCS2(=O)=O)c1	ZINC000184846190	672250255	/nfs/dbraw/zinc/25/02/55/672250255.db2.gz	VFTIXQFFQRAUAX-UHFFFAOYSA-N	1	0	362.455	1.685	20	30		FDEDRO
CCOC(=O)N1CCC([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)CC1	ZINC000186422066	672272265	/nfs/dbraw/zinc/27/22/65/672272265.db2.gz	HZDCYRRYBARAGE-ACJLOTCBSA-N	1	0	350.463	1.641	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC([NH2+]CC2CC2)CC1	ZINC000237994224	672431807	/nfs/dbraw/zinc/43/18/07/672431807.db2.gz	PTPCEHGSIBPBDL-UHFFFAOYSA-N	1	0	364.427	1.619	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N[C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C	ZINC000249493197	672565656	/nfs/dbraw/zinc/56/56/56/672565656.db2.gz	VQSHXZNPQQMORQ-JYJNAYRXSA-N	1	0	354.495	1.113	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(N[C@@H]3C[C@@H]4OCCC[C@H]34)=[NH+]C[C@H]2C1	ZINC000249942168	672585289	/nfs/dbraw/zinc/58/52/89/672585289.db2.gz	TWEDGZKJQXFWOB-YJNKXOJESA-N	1	0	350.463	1.434	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1ccc(F)cc1C#N	ZINC000288671634	676038550	/nfs/dbraw/zinc/03/85/50/676038550.db2.gz	STEQZVVWMJMYQZ-UHFFFAOYSA-N	1	0	356.467	1.201	20	30		FDEDRO
C[NH+]=C(NCc1ccc(F)c(F)c1)NCC1CCN(S(C)(=O)=O)CC1	ZINC000261650728	672642962	/nfs/dbraw/zinc/64/29/62/672642962.db2.gz	MKUUGODNIDUJQT-UHFFFAOYSA-N	1	0	374.457	1.301	20	30		FDEDRO
CS(=O)(=O)c1cc(CNC(=[NH2+])N2CCOCC2)cc(C(F)(F)F)c1	ZINC000261765817	672668128	/nfs/dbraw/zinc/66/81/28/672668128.db2.gz	MAIVINPHOHFDGI-UHFFFAOYSA-N	1	0	365.377	1.256	20	30		FDEDRO
CC[NH+]=C(NCCc1ccsc1)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261771479	672669453	/nfs/dbraw/zinc/66/94/53/672669453.db2.gz	PFTILIQJLYKPJK-UHFFFAOYSA-N	1	0	360.487	1.338	20	30		FDEDRO
C[NH+]=C(NCC(=O)NC1CC1)N(C)Cc1cc(Br)cn1C	ZINC000261815329	672676958	/nfs/dbraw/zinc/67/69/58/672676958.db2.gz	TUTSSEHULXKBDG-UHFFFAOYSA-N	1	0	356.268	1.073	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1COCCO1)N[C@@H]1CCN(c2cccc(Cl)c2)C1	ZINC000261856845	672684678	/nfs/dbraw/zinc/68/46/78/672684678.db2.gz	XZIOHEAGMQGTIO-GDBMZVCRSA-N	1	0	352.866	1.499	20	30		FDEDRO
C[NH+]=C(NC[C@@]1(O)CCSC1)N[C@@H]1CCN(c2ccccc2OC)C1	ZINC000261934217	672696794	/nfs/dbraw/zinc/69/67/94/672696794.db2.gz	CCGDDQJRIDEXNA-KDOFPFPSSA-N	1	0	364.515	1.307	20	30		FDEDRO
C[NH+]=C(NC[C@@H](C)Oc1ccc(C)cc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261935934	672697297	/nfs/dbraw/zinc/69/72/97/672697297.db2.gz	CLHASNYCXUVJFO-OAHLLOKOSA-N	1	0	367.515	1.847	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCOc2ccccc21)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261968243	672704264	/nfs/dbraw/zinc/70/42/64/672704264.db2.gz	LZWMKJRBCLTJEB-AWEZNQCLSA-N	1	0	365.499	1.637	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)c1ccccc1)N1CC[C@]2(CCOC2)C1	ZINC000261978631	672705894	/nfs/dbraw/zinc/70/58/94/672705894.db2.gz	OHQFWXFWQIZLRQ-KRWDZBQOSA-N	1	0	351.472	1.148	20	30		FDEDRO
CC[NH+]=C(NCCOc1ccccc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261987866	672707542	/nfs/dbraw/zinc/70/75/42/672707542.db2.gz	QNTCOSACJNKIDZ-UHFFFAOYSA-N	1	0	353.488	1.540	20	30		FDEDRO
CC[NH+]=C(NC[C@@H](O)C1CCCCC1)N1CCN(C(=O)C(C)C)CC1	ZINC000262238244	672752542	/nfs/dbraw/zinc/75/25/42/672752542.db2.gz	OKDQUWKBISIDFZ-QGZVFWFLSA-N	1	0	352.523	1.693	20	30		FDEDRO
C[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1	ZINC000262241548	672752881	/nfs/dbraw/zinc/75/28/81/672752881.db2.gz	ABKCNXNQUUAKIA-LLVKDONJSA-N	1	0	355.845	1.311	20	30		FDEDRO
COc1ccc(OC)c(NC(=[NH2+])NC[C@@H]2COC3(CCOCC3)O2)c1	ZINC000262252388	672755296	/nfs/dbraw/zinc/75/52/96/672755296.db2.gz	ZNXZVBSXXAVFPB-CYBMUJFWSA-N	1	0	351.403	1.353	20	30		FDEDRO
CC[C@H](C)[NH+]=C(NCC(=O)N(C)C)N[C@H]1CCOC2(CCSCC2)C1	ZINC000262342342	672773839	/nfs/dbraw/zinc/77/38/39/672773839.db2.gz	XINUGCHOXGAFSY-GJZGRUSLSA-N	1	0	370.563	1.853	20	30		FDEDRO
CN(C)C(=O)CNC(NC[C@@H]1COC2(CCCC2)O1)=[NH+]C1CCCC1	ZINC000262350703	672774848	/nfs/dbraw/zinc/77/48/48/672774848.db2.gz	YUQYQAWSIBLVSP-OAHLLOKOSA-N	1	0	352.479	1.238	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](C2CCOCC2)C1	ZINC000262371198	672778138	/nfs/dbraw/zinc/77/81/38/672778138.db2.gz	IQYNDORXRORWFT-RDJZCZTQSA-N	1	0	371.547	1.524	20	30		FDEDRO
CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@H]([C@@H]2CCOC2)C1	ZINC000262396961	672782755	/nfs/dbraw/zinc/78/27/55/672782755.db2.gz	NCHXUGIWJOABJG-HRCADAONSA-N	1	0	357.520	1.135	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(N[C@H]2CCN(C3CC3)C2)=[NH+]C2CCCC2)C1	ZINC000262417849	672786278	/nfs/dbraw/zinc/78/62/78/672786278.db2.gz	QKEPKISQRAUERG-ZBFHGGJFSA-N	1	0	368.547	1.136	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@]2(C1)OCc1ccccc12	ZINC000262426007	672787624	/nfs/dbraw/zinc/78/76/24/672787624.db2.gz	RPMDHCFBMZMPJR-KBXCAEBGSA-N	1	0	363.483	1.128	20	30		FDEDRO
O=S1(=O)CC[C@H](C[NH+]=C(NCCc2cccs2)N2CCCC2)C1	ZINC000262446285	672790806	/nfs/dbraw/zinc/79/08/06/672790806.db2.gz	VIAFMBUMDQAZSO-CQSZACIVSA-N	1	0	355.529	1.767	20	30		FDEDRO
CC1(C)C[C@H](NC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)CCO1	ZINC000262459353	672793343	/nfs/dbraw/zinc/79/33/43/672793343.db2.gz	XFMVPOVTAGDVPZ-GOEBONIOSA-N	1	0	371.547	1.857	20	30		FDEDRO
CC(C)NS(=O)(=O)Cc1ccccc1CNC(=[NH2+])N1CCO[C@H](C)C1	ZINC000262502259	672800038	/nfs/dbraw/zinc/80/00/38/672800038.db2.gz	YUIZYTPHWSUIBA-CQSZACIVSA-N	1	0	368.503	1.050	20	30		FDEDRO
C[NH+]=C(NCCc1cccs1)N1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000262514841	672801790	/nfs/dbraw/zinc/80/17/90/672801790.db2.gz	CKMVQGDYNSKDDW-HNNXBMFYSA-N	1	0	350.488	1.189	20	30		FDEDRO
CC(C)(C)S(=O)(=O)CCNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1	ZINC000262538515	672804631	/nfs/dbraw/zinc/80/46/31/672804631.db2.gz	QTGCEANCNJQNTL-UHFFFAOYSA-N	1	0	370.494	1.476	20	30		FDEDRO
C[NH+]=C(NCCNS(C)(=O)=O)N[C@H](C)c1ccc(Cl)cc1Cl	ZINC000262576179	672810136	/nfs/dbraw/zinc/81/01/36/672810136.db2.gz	OKCJAKFUHHPEGA-SECBINFHSA-N	1	0	367.302	1.769	20	30		FDEDRO
C[NH+]=C(NCc1ccc2c(c1)OCO2)NC[C@]1(N(C)C)CCSC1	ZINC000262755561	672842753	/nfs/dbraw/zinc/84/27/53/672842753.db2.gz	DEUQECLLIOGCOL-QGZVFWFLSA-N	1	0	350.488	1.518	20	30		FDEDRO
C[NH+]=C(NCc1ccc(C)s1)NCc1ccc(S(N)(=O)=O)s1	ZINC000262778994	672848374	/nfs/dbraw/zinc/84/83/74/672848374.db2.gz	MASPLIYWKQUKJH-UHFFFAOYSA-N	1	0	358.514	1.631	20	30		FDEDRO
C[NH+]=C(NC[C@H](OC)c1ccc(Cl)cc1)N[C@@H]1CCc2ncnn2C1	ZINC000262781148	672848630	/nfs/dbraw/zinc/84/86/30/672848630.db2.gz	LCIHMLOMAHSKKK-CABCVRRESA-N	1	0	362.865	1.799	20	30		FDEDRO
CN(C)C(=[NH+]CCNS(=O)(=O)c1ccc(Cl)cc1F)N(C)C	ZINC000262780935	672848681	/nfs/dbraw/zinc/84/86/81/672848681.db2.gz	KWLCEMYUGKGFQN-UHFFFAOYSA-N	1	0	350.847	1.237	20	30		FDEDRO
C[C@H]1OCC[C@]1(O)CNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1	ZINC000262918404	672854334	/nfs/dbraw/zinc/85/43/34/672854334.db2.gz	ZEBNDYAQIDDZOU-DYVFJYSZSA-N	1	0	352.866	1.317	20	30		FDEDRO
C[C@@H]1CCCN(C(=[NH2+])NCc2nn(C)cc2I)C1	ZINC000263153915	672864070	/nfs/dbraw/zinc/86/40/70/672864070.db2.gz	PTTDKKWTCHDCLJ-SECBINFHSA-N	1	0	361.231	1.571	20	30		FDEDRO
C[NH+]=C(NCC[C@@](O)(c1nccn1C)C(F)(F)F)NCc1ccco1	ZINC000264037316	672899054	/nfs/dbraw/zinc/89/90/54/672899054.db2.gz	HELOSWFPTYEILP-CQSZACIVSA-N	1	0	359.352	1.518	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)cc1OC	ZINC000264085764	672900661	/nfs/dbraw/zinc/90/06/61/672900661.db2.gz	JQWVNXWAJXVMFU-UHFFFAOYSA-N	1	0	352.435	1.633	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NC[C@H](C(C)C)N2CCOCC2)cc1OC	ZINC000264126875	672901954	/nfs/dbraw/zinc/90/19/54/672901954.db2.gz	SKPCXSBHWCVLGU-OAHLLOKOSA-N	1	0	350.463	1.787	20	30		FDEDRO
C=C(C)C[NH+]1CCC(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1	ZINC000264490494	672914805	/nfs/dbraw/zinc/91/48/05/672914805.db2.gz	OBIZTAQPSAEDCW-UHFFFAOYSA-N	1	0	354.432	1.695	20	30		FDEDRO
C[C@H](CC#N)Sc1ccccc1NC(=O)CN(CCO)CCCO	ZINC000264644461	672919891	/nfs/dbraw/zinc/91/98/91/672919891.db2.gz	WCSUYMIARKYGMG-CQSZACIVSA-N	1	0	351.472	1.696	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2nc([C@@H](C)OC)no2)CC1	ZINC000267119489	673253134	/nfs/dbraw/zinc/25/31/34/673253134.db2.gz	ZUVMZFMSEMGUOI-CYBMUJFWSA-N	1	0	351.451	1.959	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1	ZINC000267234701	673275417	/nfs/dbraw/zinc/27/54/17/673275417.db2.gz	ATJLTCOHTZLYCZ-SFHVURJKSA-N	1	0	361.467	1.191	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCCCOC2CCOCC2)cc1OC	ZINC000267405021	673300323	/nfs/dbraw/zinc/30/03/23/673300323.db2.gz	GRYYVQLHJAZOJG-UHFFFAOYSA-N	1	0	351.447	1.694	20	30		FDEDRO
CCOc1cc(CNC(=[NH2+])NCCCN2CCOCC2)ccc1OC	ZINC000267433829	673303526	/nfs/dbraw/zinc/30/35/26/673303526.db2.gz	NCBJBVBEBWXWAH-UHFFFAOYSA-N	1	0	350.463	1.221	20	30		FDEDRO
CCCC[N@H+](C)C[C@@H](C)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1	ZINC000290496296	676209578	/nfs/dbraw/zinc/20/95/78/676209578.db2.gz	FRGLHWAFKDDECT-CQSZACIVSA-N	1	0	366.487	1.073	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@@H](C)CC[NH+](C)C)CC2)c1C#N	ZINC000290690546	676224453	/nfs/dbraw/zinc/22/44/53/676224453.db2.gz	IXKMLSGXLTYHJN-LBPRGKRZSA-N	1	0	350.492	1.495	20	30		FDEDRO
CO[C@@H]1COC[C@H]1n1cc(CNC(=[NH2+])Nc2cc(F)ccc2F)nn1	ZINC000290732021	676227642	/nfs/dbraw/zinc/22/76/42/676227642.db2.gz	WGCUZEIWQBZBRA-ZIAGYGMSSA-N	1	0	352.345	1.069	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1	ZINC000281800826	675561329	/nfs/dbraw/zinc/56/13/29/675561329.db2.gz	PZCRXIJUZURIMH-JFIYKMOQSA-N	1	0	364.515	1.965	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1	ZINC000282427230	675628794	/nfs/dbraw/zinc/62/87/94/675628794.db2.gz	CCJVDMUSUZULNE-DOTOQJQBSA-N	1	0	350.488	1.892	20	30		FDEDRO
CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)N(C)C[C@H](C)C#N	ZINC000282595044	675637512	/nfs/dbraw/zinc/63/75/12/675637512.db2.gz	ICWOQSVOLFEXPG-OAHLLOKOSA-N	1	0	352.504	1.906	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000282810907	675642108	/nfs/dbraw/zinc/64/21/08/675642108.db2.gz	ZDXNIELAQIBGJG-WBVHZDCISA-N	1	0	350.488	1.577	20	30		FDEDRO
CCN1CCC[C@H]1CNC(=[NH2+])NCCS(=O)(=O)CCc1ccccc1	ZINC000283795473	675661630	/nfs/dbraw/zinc/66/16/30/675661630.db2.gz	MXDYVJXISUNTCS-KRWDZBQOSA-N	1	0	366.531	1.033	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NCC1CCOCC1)C(C)C	ZINC000284111197	675671852	/nfs/dbraw/zinc/67/18/52/675671852.db2.gz	PFSVBKZXMJXUDL-QGZVFWFLSA-N	1	0	351.491	1.344	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NC[C@H]1CCSC1)C(C)C	ZINC000284158414	675673120	/nfs/dbraw/zinc/67/31/20/675673120.db2.gz	SVLHPJOERRZFCX-HZPDHXFCSA-N	1	0	353.532	1.671	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2cn3ccsc3n2)CC1	ZINC000284855676	675753719	/nfs/dbraw/zinc/75/37/19/675753719.db2.gz	YGPRZLFBBYABAT-UHFFFAOYSA-N	1	0	361.471	1.169	20	30		FDEDRO
C#CCNC(=O)CC[NH+]1CCN(Cc2csc([C@H](C)OCC)n2)CC1	ZINC000292711930	676305957	/nfs/dbraw/zinc/30/59/57/676305957.db2.gz	FEQCBQOGMGFDSR-HNNXBMFYSA-N	1	0	364.515	1.498	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])ccc1F	ZINC000293747833	676363515	/nfs/dbraw/zinc/36/35/15/676363515.db2.gz	VRWGZNZZEINBQV-GXTWGEPZSA-N	1	0	369.462	1.489	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCc1ccnc(OCC(F)(F)F)c1	ZINC000296404023	676418376	/nfs/dbraw/zinc/41/83/76/676418376.db2.gz	QJWSPWNISZRAQV-UHFFFAOYSA-N	1	0	358.364	1.777	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCCN(C(=O)c2ccsc2)CC1	ZINC000296725001	676420517	/nfs/dbraw/zinc/42/05/17/676420517.db2.gz	CKDVWMSFUFAZOK-UHFFFAOYSA-N	1	0	362.499	1.561	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[NH+]([C@@H](C)CC)CC2)cc1	ZINC000296753440	676420674	/nfs/dbraw/zinc/42/06/74/676420674.db2.gz	BHIAUQXCWSPOBX-HNNXBMFYSA-N	1	0	363.483	1.154	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C	ZINC000297212483	676425139	/nfs/dbraw/zinc/42/51/39/676425139.db2.gz	DPHGWEVYGAACFN-OAHLLOKOSA-N	1	0	350.488	1.613	20	30		FDEDRO
CCOCCCNC(=[NH2+])NCCNC(=O)c1cccc(Br)c1	ZINC000303977707	676543911	/nfs/dbraw/zinc/54/39/11/676543911.db2.gz	LNTHTZRVTWEFCI-UHFFFAOYSA-N	1	0	371.279	1.510	20	30		FDEDRO
CC[C@H](CNC(NCCN1CCOCC1)=[NH+]C)Oc1ccccc1Cl	ZINC000304725744	676544158	/nfs/dbraw/zinc/54/41/58/676544158.db2.gz	PRLZJEREYGUMIJ-OAHLLOKOSA-N	1	0	368.909	1.995	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1ccc(F)cc1CSC	ZINC000304935890	676544828	/nfs/dbraw/zinc/54/48/28/676544828.db2.gz	IQAICSKNGMGLIJ-UHFFFAOYSA-N	1	0	354.495	1.686	20	30		FDEDRO
[NH2+]=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)N1CCCCCC1	ZINC000305092253	676544858	/nfs/dbraw/zinc/54/48/58/676544858.db2.gz	XKPDGUDAECMULD-UHFFFAOYSA-N	1	0	370.441	1.739	20	30		FDEDRO
CC(C)CNC(=[NH2+])NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1	ZINC000305717143	676545175	/nfs/dbraw/zinc/54/51/75/676545175.db2.gz	HXCHJTYVYBUBHP-UHFFFAOYSA-N	1	0	367.393	1.919	20	30		FDEDRO
CC1(CCNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)OCCO1	ZINC000305799180	676545241	/nfs/dbraw/zinc/54/52/41/676545241.db2.gz	CHNBAAKCBCWROF-UHFFFAOYSA-N	1	0	352.866	1.930	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1cccc(I)c1	ZINC000328108610	676597612	/nfs/dbraw/zinc/59/76/12/676597612.db2.gz	NJPPTVSXLYKYDB-UHFFFAOYSA-N	1	0	356.207	1.976	20	30		FDEDRO
NC(=O)[C@@H]1CC[C@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)O1	ZINC000328672791	676601733	/nfs/dbraw/zinc/60/17/33/676601733.db2.gz	ONNAQZKPYRYLOB-ZNMIVQPWSA-N	1	0	354.451	1.027	20	30		FDEDRO
CNC(=O)NC1CN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1	ZINC000328681809	676602125	/nfs/dbraw/zinc/60/21/25/676602125.db2.gz	CSVFJOJUTULKQP-UHFFFAOYSA-N	1	0	351.495	1.907	20	30		FDEDRO
C[C@H](NC(=O)N1CC[C@H](S(C)(=O)=O)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000328726329	676604357	/nfs/dbraw/zinc/60/43/57/676604357.db2.gz	UNWQLFWKMBYRIB-LZWOXQAQSA-N	1	0	357.520	1.672	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1CCC(=O)NCCS(=O)(=O)N1CCSCC1	ZINC000328746617	676605092	/nfs/dbraw/zinc/60/50/92/676605092.db2.gz	APYNPNNTLRKVRJ-AWEZNQCLSA-N	1	0	363.549	1.586	20	30		FDEDRO
CC1CC[NH+](C[C@@H](O)CNC(=O)c2coc(C3CCOCC3)n2)CC1	ZINC000328759030	676605596	/nfs/dbraw/zinc/60/55/96/676605596.db2.gz	WLCPBNDJZUAMLS-HNNXBMFYSA-N	1	0	351.447	1.966	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)CCC1	ZINC000328852582	676609603	/nfs/dbraw/zinc/60/96/03/676609603.db2.gz	WZZZQDZKNISRNF-UHFFFAOYSA-N	1	0	372.535	1.275	20	30		FDEDRO
C[N@H+](CC(=O)NC[C@@H]1CCn2ncc(C(N)=O)c2C1)[C@@H]1CCSC1	ZINC000328993065	676615401	/nfs/dbraw/zinc/61/54/01/676615401.db2.gz	FWMJOZKHGPBMIK-VXGBXAGGSA-N	1	0	351.476	1.723	20	30		FDEDRO
CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@H]3CCS(=O)(=O)C3)C2)CC1	ZINC000329006913	676615955	/nfs/dbraw/zinc/61/59/55/676615955.db2.gz	NDMKKGICRZLNCX-HOTGVXAUSA-N	1	0	357.520	1.531	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2OCCN(C(=O)CNC(=O)c3ccc(F)cc3F)[C@H]2C1	ZINC000329042669	676617149	/nfs/dbraw/zinc/61/71/49/676617149.db2.gz	TYQRDJSTZOXOIV-GJZGRUSLSA-N	1	0	353.369	1.201	20	30		FDEDRO
C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@@H]3CCO[C@@]4(CCOC4)C3)C2)CC1	ZINC000329097419	676619940	/nfs/dbraw/zinc/61/99/40/676619940.db2.gz	CEZQQOBYHPTKBJ-LMMKCTJWSA-N	1	0	351.491	1.902	20	30		FDEDRO
C[C@@H]1CN(C(C)(C)CNC(=O)[C@H](c2cncn2C)N(C)C)C[C@H](C)O1	ZINC000329202319	676624910	/nfs/dbraw/zinc/62/49/10/676624910.db2.gz	YBLRHEFTLVFFIG-LZWOXQAQSA-N	1	0	351.495	1.867	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@H](C(=O)N2CCCC2)C1	ZINC000329227263	676626683	/nfs/dbraw/zinc/62/66/83/676626683.db2.gz	IBLUCTSRSDOKIR-IKGGRYGDSA-N	1	0	350.507	1.965	20	30		FDEDRO
C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1CCCS(=O)(=O)C1	ZINC000329239736	676627882	/nfs/dbraw/zinc/62/78/82/676627882.db2.gz	QOECLZGTZUEEAE-XUWVNRHRSA-N	1	0	359.536	1.681	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)N2CC[C@H](C(F)(F)F)[C@@H](CO)C2)CCSC1	ZINC000329407921	676637596	/nfs/dbraw/zinc/63/75/96/676637596.db2.gz	CKAGIISUAPKWDB-DYEKYZERSA-N	1	0	369.453	1.830	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(S(=O)(=O)CC3(C#N)CC3)CC2)CC1	ZINC000329635605	676647380	/nfs/dbraw/zinc/64/73/80/676647380.db2.gz	UOYHMIPKRNFYRN-UHFFFAOYSA-N	1	0	354.520	1.110	20	30		FDEDRO
CN1CCC(CNC(=O)[C@H]2CCCCS2(=O)=O)(N2CCCCC2)CC1	ZINC000329640824	676647620	/nfs/dbraw/zinc/64/76/20/676647620.db2.gz	ZNAZOFHKGQLLQK-MRXNPFEDSA-N	1	0	371.547	1.861	20	30		FDEDRO
C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1	ZINC000329717275	676651309	/nfs/dbraw/zinc/65/13/09/676651309.db2.gz	XKVACWFDYLWIGZ-KFWWJZLASA-N	1	0	370.519	1.026	20	30		FDEDRO
O=C(NC[C@@H]1CCCCS1(=O)=O)N1CCC([NH+]2CCCCC2)CC1	ZINC000329761035	676653311	/nfs/dbraw/zinc/65/33/11/676653311.db2.gz	QZCKVTIARGSEJF-INIZCTEOSA-N	1	0	357.520	1.818	20	30		FDEDRO
C[NH+]1CCN(Cc2cccc(C(=O)NC3CCS(=O)(=O)CC3)c2)CC1	ZINC000329895110	676662694	/nfs/dbraw/zinc/66/26/94/676662694.db2.gz	BUSUAGISWPHFED-UHFFFAOYSA-N	1	0	365.499	1.316	20	30		FDEDRO
C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@H](C2CC2)O1	ZINC000329899625	676663174	/nfs/dbraw/zinc/66/31/74/676663174.db2.gz	FQEXLAPYIKYXIY-NKGKWGDASA-N	1	0	351.491	1.778	20	30		FDEDRO
C[NH+]1CCN(CCNC(=O)c2ccc3nc(C(F)(F)F)cn3c2)CC1	ZINC000329976042	676666549	/nfs/dbraw/zinc/66/65/49/676666549.db2.gz	YKIKYEYAQGUSFJ-UHFFFAOYSA-N	1	0	355.364	1.905	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)CCSC1	ZINC000329998476	676668426	/nfs/dbraw/zinc/66/84/26/676668426.db2.gz	SICPKOTYQHAAHE-IRXDYDNUSA-N	1	0	357.520	1.608	20	30		FDEDRO
C[C@@H]1c2nncn2CCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1	ZINC000330072252	676671075	/nfs/dbraw/zinc/67/10/75/676671075.db2.gz	YWBCMXNYUKYAEJ-CQSZACIVSA-N	1	0	364.519	1.930	20	30		FDEDRO
Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2C#N)CC1	ZINC000330148876	676675177	/nfs/dbraw/zinc/67/51/77/676675177.db2.gz	JTANVJODNYLGME-UKRRQHHQSA-N	1	0	351.476	1.462	20	30		FDEDRO
CSc1nnc(CNC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)s1	ZINC000330240096	676680261	/nfs/dbraw/zinc/68/02/61/676680261.db2.gz	VUHUSKKMJZPCGK-LLVKDONJSA-N	1	0	371.532	1.859	20	30		FDEDRO
CNC(=O)CN1CCC(NS(=O)(=O)Cc2cc(C(C)(C)C)on2)CC1	ZINC000330243190	676680536	/nfs/dbraw/zinc/68/05/36/676680536.db2.gz	JPCMLJBGQCYKMG-UHFFFAOYSA-N	1	0	372.491	1.442	20	30		FDEDRO
C[C@H]1CCS(=O)(=O)CCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000330328578	676684199	/nfs/dbraw/zinc/68/41/99/676684199.db2.gz	LVDUHODOCHNZSQ-HNNXBMFYSA-N	1	0	373.519	1.054	20	30		FDEDRO
C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C1	ZINC000330370857	676685693	/nfs/dbraw/zinc/68/56/93/676685693.db2.gz	GUGXXSNWGSOACZ-INMHGKMJSA-N	1	0	350.488	1.748	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000330376652	676686700	/nfs/dbraw/zinc/68/67/00/676686700.db2.gz	PCTMIIDHQQCSMP-SJLPKXTDSA-N	1	0	364.515	1.967	20	30		FDEDRO
CN(C1CCN(C(=O)NCCC[NH+]2CCCCC2)CC1)S(C)(=O)=O	ZINC000330433916	676690362	/nfs/dbraw/zinc/69/03/62/676690362.db2.gz	NXIQQIFTXBYPOD-UHFFFAOYSA-N	1	0	360.524	1.132	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(S(N)(=O)=O)cc2C)C1	ZINC000330433528	676690376	/nfs/dbraw/zinc/69/03/76/676690376.db2.gz	XOCAEXYCEHOGKE-CQSZACIVSA-N	1	0	354.476	1.130	20	30		FDEDRO
CCS(=O)(=O)N(C)CCCNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1	ZINC000330470984	676692178	/nfs/dbraw/zinc/69/21/78/676692178.db2.gz	BPHUNQNCWIVLEZ-INIZCTEOSA-N	1	0	374.551	1.236	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)N2CCC(NC(=O)C(C)C)CC2)CC1	ZINC000330474509	676692369	/nfs/dbraw/zinc/69/23/69/676692369.db2.gz	DGFFNFUHRQJTML-UHFFFAOYSA-N	1	0	354.495	1.248	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCC[NH+](C)C)c2)C[C@@H](C)O1	ZINC000330481256	676692911	/nfs/dbraw/zinc/69/29/11/676692911.db2.gz	PBSLTQVEMSSOIO-ZIAGYGMSSA-N	1	0	369.487	1.351	20	30		FDEDRO
CS[C@H]1CN(CC(=O)NC(=O)Nc2cccc(C)c2C)C[C@@H]1[NH+](C)C	ZINC000330506722	676694513	/nfs/dbraw/zinc/69/45/13/676694513.db2.gz	LWZZEWYHWKDHGN-HOTGVXAUSA-N	1	0	364.515	1.943	20	30		FDEDRO
COc1ccc(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)cc1S(=O)(=O)N(C)C	ZINC000330585655	676697340	/nfs/dbraw/zinc/69/73/40/676697340.db2.gz	LLEBVLLTLZCCKJ-ZIAGYGMSSA-N	1	0	369.487	1.733	20	30		FDEDRO
CC[NH+](CC)C[C@H](C)NC(=O)N1CCC(C(=O)N2CCOCC2)CC1	ZINC000330634551	676698999	/nfs/dbraw/zinc/69/89/99/676698999.db2.gz	LPWJWCWMQFZKKE-HNNXBMFYSA-N	1	0	354.495	1.202	20	30		FDEDRO
CS[C@@H]1CN([C@H](C)C(=O)NC(=O)NC2CCCCC2)C[C@H]1[NH+](C)C	ZINC000330677088	676700116	/nfs/dbraw/zinc/70/01/16/676700116.db2.gz	UTOACJJKALNYTA-BPLDGKMQSA-N	1	0	356.536	1.715	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)NC1CCN(C(=O)NC(C)(C)C)CC1	ZINC000330686214	676700569	/nfs/dbraw/zinc/70/05/69/676700569.db2.gz	VETDCQXOKZQUIL-AWEZNQCLSA-N	1	0	354.495	1.248	20	30		FDEDRO
CCC[NH+]1CCC(CNC(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1	ZINC000330715337	676701834	/nfs/dbraw/zinc/70/18/34/676701834.db2.gz	SOYZXXGDDNSZBK-CVEARBPZSA-N	1	0	374.551	1.472	20	30		FDEDRO
CCC[NH+]1CCC(CNC(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)CC1	ZINC000330715338	676701861	/nfs/dbraw/zinc/70/18/61/676701861.db2.gz	SOYZXXGDDNSZBK-HZPDHXFCSA-N	1	0	374.551	1.472	20	30		FDEDRO
C[NH+](C)C[C@H]1CN(C(=O)Nc2cccc(CS(C)(=O)=O)c2)CCO1	ZINC000330815643	676705140	/nfs/dbraw/zinc/70/51/40/676705140.db2.gz	LSLOZXJSCALUIT-HNNXBMFYSA-N	1	0	355.460	1.039	20	30		FDEDRO
CCc1ccc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1S(N)(=O)=O	ZINC000330898535	676708617	/nfs/dbraw/zinc/70/86/17/676708617.db2.gz	UWIUHGTWPPMAPP-NEPJUHHUSA-N	1	0	354.476	1.466	20	30		FDEDRO
CCN1CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C[C@H]1c1ncc[nH]1	ZINC000331031547	676714508	/nfs/dbraw/zinc/71/45/08/676714508.db2.gz	GTNAIJKYCURCSO-CABCVRRESA-N	1	0	350.511	1.979	20	30		FDEDRO
CCNC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1	ZINC000331040175	676714814	/nfs/dbraw/zinc/71/48/14/676714814.db2.gz	CLUFOMSSRVPFJF-CQSZACIVSA-N	1	0	354.476	1.035	20	30		FDEDRO
O=C(CCN1CCC([NH+]2CCCCC2)CC1)NC(=O)NCC(F)(F)F	ZINC000331250798	676724183	/nfs/dbraw/zinc/72/41/83/676724183.db2.gz	SNXPZWRIKLIISL-UHFFFAOYSA-N	1	0	364.412	1.919	20	30		FDEDRO
C=CCNc1ncc(C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)s1	ZINC000363706498	676969757	/nfs/dbraw/zinc/96/97/57/676969757.db2.gz	BWMSNFFJHWXCAY-HNNXBMFYSA-N	1	0	363.531	1.982	20	30		FDEDRO
COCCC[N@@H+]1CCCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1	ZINC000364043345	676987861	/nfs/dbraw/zinc/98/78/61/676987861.db2.gz	UIAGNAAAUYVGQR-UHFFFAOYSA-N	1	0	371.890	1.945	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1	ZINC000364858003	677057226	/nfs/dbraw/zinc/05/72/26/677057226.db2.gz	ZBQBLDBWAWDYST-LJQANCHMSA-N	1	0	351.491	1.228	20	30		FDEDRO
C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NCc2ccc(C#N)s2)CC1	ZINC000422211023	680697672	/nfs/dbraw/zinc/69/76/72/680697672.db2.gz	COUWHLZPWWPSOG-ZDUSSCGKSA-N	1	0	350.488	1.854	20	30		FDEDRO
O=C1NC(=O)[C@@H]2C[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)CC[C@@H]12	ZINC000366336479	677435106	/nfs/dbraw/zinc/43/51/06/677435106.db2.gz	XLXRRRQOVMHRSR-ZIAGYGMSSA-N	1	0	352.312	1.531	20	30		FDEDRO
COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](CCC(=O)N(C)CCC#N)CC1	ZINC000366353940	677436584	/nfs/dbraw/zinc/43/65/84/677436584.db2.gz	KIBCCGSMNBWUST-WBVHZDCISA-N	1	0	351.447	1.039	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](F)C[C@H]2C[NH2+]C)ccc1F	ZINC000367382333	677491648	/nfs/dbraw/zinc/49/16/48/677491648.db2.gz	SNAIIRFTFGIXOQ-STQMWFEESA-N	1	0	373.425	1.062	20	30		FDEDRO
C=CCSCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C	ZINC000367778889	677495587	/nfs/dbraw/zinc/49/55/87/677495587.db2.gz	XBIHWKKFWKNADW-GOOCMWNKSA-N	1	0	354.520	1.288	20	30		FDEDRO
C=CCNc1ncc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)s1	ZINC000369651978	677507725	/nfs/dbraw/zinc/50/77/25/677507725.db2.gz	ABSSSHWXIGQWCX-HOCLYGCPSA-N	1	0	357.483	2.559	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1	ZINC000370293826	677561896	/nfs/dbraw/zinc/56/18/96/677561896.db2.gz	JFRNOTKITLUFIG-UMVBOHGHSA-N	1	0	356.517	1.667	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)[NH2+]C[C@]1(N2CCOCC2)CCCOC1	ZINC000372007319	677826776	/nfs/dbraw/zinc/82/67/76/677826776.db2.gz	UFTPRGZXZXMSTN-IEBWSBKVSA-N	1	0	351.491	1.047	20	30		FDEDRO
CCOC(=O)[C@]1(COC)CCC[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)C1	ZINC000374169398	678074061	/nfs/dbraw/zinc/07/40/61/678074061.db2.gz	CHCAMGHSQFSFRJ-MAUKXSAKSA-N	1	0	353.463	1.286	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1	ZINC000374456202	678081931	/nfs/dbraw/zinc/08/19/31/678081931.db2.gz	JJBIFEOQHSDGPU-OAHLLOKOSA-N	1	0	365.503	1.566	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CC[C@H](O)CC1)C(C)C	ZINC000422620450	680746834	/nfs/dbraw/zinc/74/68/34/680746834.db2.gz	SNQOOWCGKPLCRJ-BRWVUGGUSA-N	1	0	351.491	1.221	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)ccc1C(F)(F)F	ZINC000376114710	678226845	/nfs/dbraw/zinc/22/68/45/678226845.db2.gz	MMSVEDXXMZSVLE-YGRLFVJLSA-N	1	0	359.373	1.950	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](N3CCOCC3)C[C@@H]2C)CC1	ZINC000376327847	678275875	/nfs/dbraw/zinc/27/58/75/678275875.db2.gz	NAJOQXVPPVWCKV-WMZOPIPTSA-N	1	0	350.507	1.532	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)CC1	ZINC000376705250	678363179	/nfs/dbraw/zinc/36/31/79/678363179.db2.gz	RCGMTRUUVWANCF-CHWSQXEVSA-N	1	0	362.396	1.332	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2C[C@H](OC)C[C@H]2CC(=O)OCC)CC1	ZINC000376922320	678405380	/nfs/dbraw/zinc/40/53/80/678405380.db2.gz	JAEIYOMIUYJOJI-JKSUJKDBSA-N	1	0	353.463	1.389	20	30		FDEDRO
CC(C)[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3ccc(C#N)s3)C2)CC1	ZINC000377059608	678439474	/nfs/dbraw/zinc/43/94/74/678439474.db2.gz	AMHLSYYFBTTYER-AWEZNQCLSA-N	1	0	368.528	1.409	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1	ZINC000378345288	678741847	/nfs/dbraw/zinc/74/18/47/678741847.db2.gz	ISHBEPUXGCTRAZ-OAHLLOKOSA-N	1	0	362.499	1.347	20	30		FDEDRO
N#C[C@H]1CN(S(=O)(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CCO1	ZINC000409499009	678852593	/nfs/dbraw/zinc/85/25/93/678852593.db2.gz	GUWCRJJPRICQGT-KRWDZBQOSA-N	1	0	370.519	1.044	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(F)c1	ZINC000409600063	678866739	/nfs/dbraw/zinc/86/67/39/678866739.db2.gz	UFLLZGBDINTPAO-UHFFFAOYSA-N	1	0	356.467	1.670	20	30		FDEDRO
CC[C@H](C)NC(=O)CN1CC[NH+](CCCC2(C#N)CCOCC2)CC1	ZINC000410310464	678889435	/nfs/dbraw/zinc/88/94/35/678889435.db2.gz	LSXNBHFPDFWKIB-KRWDZBQOSA-N	1	0	350.507	1.619	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c1	ZINC000424021356	680826755	/nfs/dbraw/zinc/82/67/55/680826755.db2.gz	UDHHWWBREPGOPE-HIFRSBDPSA-N	1	0	351.472	1.208	20	30		FDEDRO
CCOc1ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc1S(=O)(=O)N(C)C	ZINC000424067618	680828380	/nfs/dbraw/zinc/82/83/80/680828380.db2.gz	PWMQZKQIEZPCRR-ZDUSSCGKSA-N	1	0	368.459	1.295	20	30		FDEDRO
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H]([NH3+])CCCC#N)cc1	ZINC000424067139	680828422	/nfs/dbraw/zinc/82/84/22/680828422.db2.gz	ONUZKDFRAQIJOP-MRXNPFEDSA-N	1	0	366.487	1.354	20	30		FDEDRO
COC(=O)[C@@H]1CSCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000412066444	679149960	/nfs/dbraw/zinc/14/99/60/679149960.db2.gz	DCEMGSLGIDHEFQ-LSDHHAIUSA-N	1	0	350.440	1.136	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCSC[C@@H](C(=O)OC)C1	ZINC000412101390	679156345	/nfs/dbraw/zinc/15/63/45/679156345.db2.gz	WVTRGCMFOIWKRP-DLBZAZTESA-N	1	0	365.495	1.993	20	30		FDEDRO
C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H]1CON(CC)C1=O	ZINC000412989890	679228944	/nfs/dbraw/zinc/22/89/44/679228944.db2.gz	OMZKFUQELKLDGA-CQSZACIVSA-N	1	0	365.503	1.747	20	30		FDEDRO
C=C[C@@H]1CCCCN1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1	ZINC000413630856	679286772	/nfs/dbraw/zinc/28/67/72/679286772.db2.gz	WAAFVCATNWGSRV-QGZVFWFLSA-N	1	0	350.507	1.533	20	30		FDEDRO
N#Cc1ccc(Cc2cnc(NC(=O)N3CCO[C@@H](C[NH3+])C3)s2)cc1	ZINC000414731008	679366026	/nfs/dbraw/zinc/36/60/26/679366026.db2.gz	HMVAJIZCTNMDKU-AWEZNQCLSA-N	1	0	357.439	1.797	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H]([NH3+])C2CC2)cc1	ZINC000414883396	679372261	/nfs/dbraw/zinc/37/22/61/679372261.db2.gz	AFDMLNCAGLSXCL-HNNXBMFYSA-N	1	0	352.460	1.352	20	30		FDEDRO
COCC[NH2+]CCNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1	ZINC000415436610	679430869	/nfs/dbraw/zinc/43/08/69/679430869.db2.gz	BOGQORWLOBWBGU-UHFFFAOYSA-N	1	0	362.821	1.755	20	30		FDEDRO
C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000415484444	679438087	/nfs/dbraw/zinc/43/80/87/679438087.db2.gz	CEGAXZRQHQPUHI-GFCCVEGCSA-N	1	0	365.231	1.470	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000415586600	679459038	/nfs/dbraw/zinc/45/90/38/679459038.db2.gz	YGDYEUZTDRRBNL-ONGXEEELSA-N	1	0	354.332	1.711	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC[NH2+]C2(C)C)cc1	ZINC000415591917	679460266	/nfs/dbraw/zinc/46/02/66/679460266.db2.gz	BINNQIPJDPIPJQ-BXUZGUMPSA-N	1	0	350.444	1.634	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1	ZINC000415606364	679463921	/nfs/dbraw/zinc/46/39/21/679463921.db2.gz	YQUFUIAUSHWLCM-GXFFZTMASA-N	1	0	372.397	1.491	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1	ZINC000415645714	679470706	/nfs/dbraw/zinc/47/07/06/679470706.db2.gz	LTINKQUNDMPNMD-MNOVXSKESA-N	1	0	352.341	1.484	20	30		FDEDRO
COC[C@@]1(CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CCC[NH2+]1	ZINC000415701834	679481950	/nfs/dbraw/zinc/48/19/50/679481950.db2.gz	CFBBRBZGXZXKQE-INIZCTEOSA-N	1	0	350.806	1.035	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)F	ZINC000415783501	679500241	/nfs/dbraw/zinc/50/02/41/679500241.db2.gz	GHTPBHAOZBIWFB-NSHDSACASA-N	1	0	354.357	1.383	20	30		FDEDRO
N#Cc1ccsc1NC(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3	ZINC000415856000	679527077	/nfs/dbraw/zinc/52/70/77/679527077.db2.gz	DIKXXSMHAPZXQV-UHFFFAOYSA-N	1	0	358.467	1.828	20	30		FDEDRO
N#CCCSc1ccccc1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1	ZINC000415893561	679534463	/nfs/dbraw/zinc/53/44/63/679534463.db2.gz	NFSJDBOMHLFYPU-KBPBESRZSA-N	1	0	358.467	1.699	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC2)c1	ZINC000415998636	679542203	/nfs/dbraw/zinc/54/22/03/679542203.db2.gz	URGRIKMRCUJSNO-LBPRGKRZSA-N	1	0	356.352	1.065	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NC[C@H]3C[NH2+]CCO3)CC2)c(Cl)c1	ZINC000418767134	680119974	/nfs/dbraw/zinc/11/99/74/680119974.db2.gz	NPHSRTADSTWFJU-CQSZACIVSA-N	1	0	363.849	1.032	20	30		FDEDRO
C[NH2+]CCCN(C)C(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000419105197	680191229	/nfs/dbraw/zinc/19/12/29/680191229.db2.gz	BPFIHOWWTNEYRI-UHFFFAOYSA-N	1	0	355.360	1.241	20	30		FDEDRO
C[C@@H]1C[N@H+](CCO)[C@H](C)CN1CC(=O)Nc1cc(Cl)ccc1C#N	ZINC000419341722	680240115	/nfs/dbraw/zinc/24/01/15/680240115.db2.gz	OSQFQQKOBGJHOG-CHWSQXEVSA-N	1	0	350.850	1.537	20	30		FDEDRO
C=C(C)[C@@H](NC(=O)C(=O)N1CC[C@H](C[NH2+]C)C1)c1ccc(F)c(F)c1	ZINC000419675381	680316289	/nfs/dbraw/zinc/31/62/89/680316289.db2.gz	KGXCGXAKWACFJB-MLGOLLRUSA-N	1	0	351.397	1.766	20	30		FDEDRO
C=C(C)[C@@H](NC(=O)C(=O)N1CCC([NH2+]C)CC1)c1ccc(F)c(F)c1	ZINC000419685612	680320277	/nfs/dbraw/zinc/32/02/77/680320277.db2.gz	XSGHLJRCIRBZOK-MRXNPFEDSA-N	1	0	351.397	1.909	20	30		FDEDRO
C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)NCC[NH3+]	ZINC000419840959	680368050	/nfs/dbraw/zinc/36/80/50/680368050.db2.gz	SQYBCLYWLAXWKN-UHFFFAOYSA-N	1	0	358.211	1.178	20	30		FDEDRO
N#Cc1nc(N2CCCC[C@H]2CNC(=O)CC[NH3+])ccc1C(F)(F)F	ZINC000420247521	680422953	/nfs/dbraw/zinc/42/29/53/680422953.db2.gz	OTLGHDKIEVLLEM-NSHDSACASA-N	1	0	355.364	1.796	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1Br	ZINC000420460277	680463138	/nfs/dbraw/zinc/46/31/38/680463138.db2.gz	SAZOLMWOROCXHY-MWLCHTKSSA-N	1	0	358.261	1.726	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c1	ZINC000420462412	680464411	/nfs/dbraw/zinc/46/44/11/680464411.db2.gz	HMSBGVIICCBFEJ-HIFRSBDPSA-N	1	0	351.472	1.398	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@H]1CCN(C)C(=O)C1)C(C)C	ZINC000425590850	680911864	/nfs/dbraw/zinc/91/18/64/680911864.db2.gz	XLNGOMDEWLCPTC-IRXDYDNUSA-N	1	0	350.507	1.853	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1	ZINC000426133529	680948347	/nfs/dbraw/zinc/94/83/47/680948347.db2.gz	LBZZTKAYPFLJHF-XUJVJEKNSA-N	1	0	362.396	1.430	20	30		FDEDRO
N#CC1(NC(=O)C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)CCCCC1	ZINC000426141617	680948736	/nfs/dbraw/zinc/94/87/36/680948736.db2.gz	WRERJELKSMDSLE-LBPRGKRZSA-N	1	0	360.380	1.329	20	30		FDEDRO
Cn1cc(S(=O)(=O)NCC[NH2+][C@H](CCCC#N)c2ccccc2)cn1	ZINC000433007956	681170719	/nfs/dbraw/zinc/17/07/19/681170719.db2.gz	BRAXIMHXDLFOHO-QGZVFWFLSA-N	1	0	361.471	1.723	20	30		FDEDRO
C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccc(CC#N)cc1	ZINC000433066634	681172045	/nfs/dbraw/zinc/17/20/45/681172045.db2.gz	KFXOVTSUKVPMPY-UHFFFAOYSA-N	1	0	359.451	1.911	20	30		FDEDRO
N#CC1(NC(=O)C(=O)NCC(F)F)CC[NH+](Cc2ccccc2)CC1	ZINC000444346298	682402705	/nfs/dbraw/zinc/40/27/05/682402705.db2.gz	UVIKTGJXYUZZGR-UHFFFAOYSA-N	1	0	350.369	1.042	20	30		FDEDRO
CCC[C@]1(CO)CCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000444777503	682427608	/nfs/dbraw/zinc/42/76/08/682427608.db2.gz	POELKNUCPZRQLI-PKOBYXMFSA-N	1	0	350.507	1.306	20	30		FDEDRO
CC[C@H]([NH2+][C@@H](C)C(=O)NC[C@@H]1CCS(=O)(=O)C1)c1ccc(C#N)cc1	ZINC000447588505	682556003	/nfs/dbraw/zinc/55/60/03/682556003.db2.gz	UQGRWJQKVBEPID-QRTARXTBSA-N	1	0	363.483	1.538	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1	ZINC000448975239	682655057	/nfs/dbraw/zinc/65/50/57/682655057.db2.gz	GMPZTEMGAWTUBW-HIFRSBDPSA-N	1	0	360.845	1.775	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1	ZINC000449636601	682692458	/nfs/dbraw/zinc/69/24/58/682692458.db2.gz	DRITZGAHKHBHFM-ZFWWWQNUSA-N	1	0	351.472	1.398	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(S(=O)(=O)CC(C)(C)CC#N)CC1	ZINC000451142000	682827088	/nfs/dbraw/zinc/82/70/88/682827088.db2.gz	DAXQIYXQJKSMSO-CALCHBBNSA-N	1	0	370.563	1.746	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(CC#N)cc1Cl	ZINC000451166769	682833078	/nfs/dbraw/zinc/83/30/78/682833078.db2.gz	UILOJDHHOOSBLD-AWEZNQCLSA-N	1	0	371.890	1.795	20	30		FDEDRO
N#CCC1(CS(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1	ZINC000451326485	682861914	/nfs/dbraw/zinc/86/19/14/682861914.db2.gz	DJNYZENICQTKLZ-HOTGVXAUSA-N	1	0	355.504	1.368	20	30		FDEDRO
CSC1(CNS(=O)(=O)Cc2ccc(F)cc2C#N)CC[NH+](C)CC1	ZINC000451570304	682901945	/nfs/dbraw/zinc/90/19/45/682901945.db2.gz	POOPPCQXHYFFRZ-UHFFFAOYSA-N	1	0	371.503	1.944	20	30		FDEDRO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1	ZINC000451655098	682913616	/nfs/dbraw/zinc/91/36/16/682913616.db2.gz	QYKGEZSODOVNKB-HZSPNIEDSA-N	1	0	364.877	1.926	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1	ZINC000451931419	682971863	/nfs/dbraw/zinc/97/18/63/682971863.db2.gz	SFQOKRMTPGIOJP-IAGOWNOFSA-N	1	0	364.515	1.777	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@](CO)(COC)C1	ZINC000451936742	682974417	/nfs/dbraw/zinc/97/44/17/682974417.db2.gz	UAFKALGJABMTDK-MAUKXSAKSA-N	1	0	352.500	1.982	20	30		FDEDRO
CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000453700922	683190088	/nfs/dbraw/zinc/19/00/88/683190088.db2.gz	BCPRHCNJWFRNRV-QWHCGFSZSA-N	1	0	361.833	1.630	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2CCCO)c(Cl)c1	ZINC000453805964	683217583	/nfs/dbraw/zinc/21/75/83/683217583.db2.gz	MRMCYIJQACTJQA-ZDUSSCGKSA-N	1	0	364.833	1.113	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC(C)(C)C[NH+](C)C)cc1	ZINC000454487669	683323706	/nfs/dbraw/zinc/32/37/06/683323706.db2.gz	QNNQPMJCDZWRKS-UHFFFAOYSA-N	1	0	368.503	1.955	20	30		FDEDRO
C[NH+](C)CCN1CCC(NC(=O)Nc2cnc(C#N)c(Cl)c2)CC1	ZINC000455745604	683493775	/nfs/dbraw/zinc/49/37/75/683493775.db2.gz	AHGLWTLPTJQIKL-UHFFFAOYSA-N	1	0	350.854	1.754	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1	ZINC000457077443	683713206	/nfs/dbraw/zinc/71/32/06/683713206.db2.gz	CPIDCOHLPNMBDD-MRXNPFEDSA-N	1	0	365.499	1.706	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N(CCO)CCOCC(F)(F)F)CC1	ZINC000465861530	684796341	/nfs/dbraw/zinc/79/63/41/684796341.db2.gz	DSSKKGPGEWREBO-UHFFFAOYSA-N	1	0	353.385	1.220	20	30		FDEDRO
CC[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)c1cccc(S(N)(=O)=O)c1	ZINC000469781730	684986189	/nfs/dbraw/zinc/98/61/89/684986189.db2.gz	WKNGGEIHQLSXRL-SWLSCSKDSA-N	1	0	364.471	1.326	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCSC[C@@H]2CCO)c(OC)c1	ZINC000470204647	685015282	/nfs/dbraw/zinc/01/52/82/685015282.db2.gz	BCTGTELNORJNTA-DLBZAZTESA-N	1	0	367.511	1.963	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCC[N@@H+](CC)CCC)cc1	ZINC000472211176	685189173	/nfs/dbraw/zinc/18/91/73/685189173.db2.gz	FOJDDJOPSSOMLC-UHFFFAOYSA-N	1	0	353.488	1.613	20	30		FDEDRO
CC(C)N1C(=O)C[C@@H]([NH2+]CC(=O)NCC#N)[C@H]1c1ccc(Cl)c(F)c1	ZINC000494214262	687506263	/nfs/dbraw/zinc/50/62/63/687506263.db2.gz	ZKZCHGLMSPKZCI-RHSMWYFYSA-N	1	0	366.824	1.759	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)CC2(C#N)CCCC2)CC1	ZINC000498882226	687874531	/nfs/dbraw/zinc/87/45/31/687874531.db2.gz	XAWURSPMAQJHIJ-KRWDZBQOSA-N	1	0	368.547	1.502	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)CC2(C#N)CCCC2)CC1	ZINC000498882227	687874860	/nfs/dbraw/zinc/87/48/60/687874860.db2.gz	XAWURSPMAQJHIJ-QGZVFWFLSA-N	1	0	368.547	1.502	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCC2CC[NH+](C)CC2)c1	ZINC000499929462	688010813	/nfs/dbraw/zinc/01/08/13/688010813.db2.gz	ZSXTZPWGLHDMBS-UHFFFAOYSA-N	1	0	351.472	1.223	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C	ZINC000506208117	688557363	/nfs/dbraw/zinc/55/73/63/688557363.db2.gz	GOLWCRASJHQSMB-RDTXWAMCSA-N	1	0	353.463	1.475	20	30		FDEDRO
CN(C)S(=O)(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1	ZINC000511057550	689455811	/nfs/dbraw/zinc/45/58/11/689455811.db2.gz	AQVFEICBBVQTBB-INIZCTEOSA-N	1	0	364.471	1.243	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1	ZINC000511535379	689532815	/nfs/dbraw/zinc/53/28/15/689532815.db2.gz	FJASUWJONIIRMJ-HNNXBMFYSA-N	1	0	370.247	1.258	20	30		FDEDRO
COc1cc(C[NH2+]C[C@@H]2CCCCN2S(=O)(=O)N(C)C)ccc1C#N	ZINC000514753865	689762327	/nfs/dbraw/zinc/76/23/27/689762327.db2.gz	VAEVCDYUIDOQNK-INIZCTEOSA-N	1	0	366.487	1.317	20	30		FDEDRO
CN(C)CC1(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CCCC1	ZINC000516862645	689999262	/nfs/dbraw/zinc/99/92/62/689999262.db2.gz	CPZHTXOFLLLJHG-UHFFFAOYSA-N	1	0	350.488	1.439	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCOC3(CCOCC3)C2)nc1	ZINC000517557105	690074490	/nfs/dbraw/zinc/07/44/90/690074490.db2.gz	XSEQRNLPGIONAN-OAHLLOKOSA-N	1	0	365.455	1.045	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H](CO)CC2CCCC2)nc1	ZINC000517567550	690075826	/nfs/dbraw/zinc/07/58/26/690075826.db2.gz	LELHXPIGLLEQGT-MRXNPFEDSA-N	1	0	351.472	1.505	20	30		FDEDRO
CCCC[N@H+](C)C[C@H](C)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1	ZINC000521322414	690407750	/nfs/dbraw/zinc/40/77/50/690407750.db2.gz	NYAGPKOTBXDHKP-AWEZNQCLSA-N	1	0	366.487	1.073	20	30		FDEDRO
Cc1cc(S(=O)(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)ccc1C#N	ZINC000528059575	694698829	/nfs/dbraw/zinc/69/88/29/694698829.db2.gz	FKYDXJAMVGKDON-KRWDZBQOSA-N	1	0	363.483	1.646	20	30		FDEDRO
N#CCc1ccc(OCc2ccc(N3CCN4CC[NH2+]C[C@H]4C3)nc2)cc1	ZINC001164408514	718840469	/nfs/dbraw/zinc/84/04/69/718840469.db2.gz	ZQVNVJDPQXOVQZ-IBGZPJMESA-N	1	0	363.465	1.820	20	30		FDEDRO
COC(=O)[C@@H]1C[NH2+]CCN1C(F)(F)c1cc(OC)nc(Cl)c1C#N	ZINC001164629974	719134297	/nfs/dbraw/zinc/13/42/97/719134297.db2.gz	DVUZSMZRBOTMHB-JTQLQIEISA-N	1	0	360.748	1.111	20	30		FDEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(c1ncc([N+](=O)[O-])cc1C#N)CC2	ZINC001164685211	719713179	/nfs/dbraw/zinc/71/31/79/719713179.db2.gz	SIDWRRHCGOCBGM-UHFFFAOYSA-N	1	0	358.402	1.042	20	30		FDEDRO
CC(C)[N@H+]1[C@@H]2CCN(c3cnc(C#N)cn3)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164833701	720516632	/nfs/dbraw/zinc/51/66/32/720516632.db2.gz	DOODLHUDBFCVNQ-BPQIPLTHSA-N	1	0	351.458	1.923	20	30		FDEDRO
COc1cc(C#N)nc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1	ZINC001164729607	720568152	/nfs/dbraw/zinc/56/81/52/720568152.db2.gz	RPCRRHKPVJXKPO-UHFFFAOYSA-N	1	0	352.442	1.817	20	30		FDEDRO
N#Cc1cc(Cl)nnc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164741732	720652853	/nfs/dbraw/zinc/65/28/53/720652853.db2.gz	MECXWFPKFJJKKQ-QWHCGFSZSA-N	1	0	357.805	1.134	20	30		FDEDRO
N#Cc1cc(Cl)nnc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164741735	720653304	/nfs/dbraw/zinc/65/33/04/720653304.db2.gz	MECXWFPKFJJKKQ-STQMWFEESA-N	1	0	357.805	1.134	20	30		FDEDRO
N#Cc1cc2nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)ccc2[nH]1	ZINC001164739914	720751702	/nfs/dbraw/zinc/75/17/02/720751702.db2.gz	JSVOSBOUMAPBHQ-CABCVRRESA-N	1	0	361.409	1.566	20	30		FDEDRO
Cc1nc(C#N)cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1	ZINC001164866494	721185799	/nfs/dbraw/zinc/18/57/99/721185799.db2.gz	BKTLPVOLDPRGMI-ROUUACIJSA-N	1	0	350.426	1.531	20	30		FDEDRO
Cc1nc(C#N)cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1	ZINC001164891342	721450178	/nfs/dbraw/zinc/45/01/78/721450178.db2.gz	UMEQETGBSRYCPW-AZUAARDMSA-N	1	0	370.501	1.422	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21	ZINC000972138995	782454826	/nfs/dbraw/zinc/45/48/26/782454826.db2.gz	YTIXNTXYMVWQRO-GUDVDZBRSA-N	1	0	357.498	1.722	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCCOCC)C[C@H]1c1ccccc1	ZINC001211541960	782526501	/nfs/dbraw/zinc/52/65/01/782526501.db2.gz	RMAZAQMPFGMJIE-RBUKOAKNSA-N	1	0	371.481	1.137	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)N2CC[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]32)C1	ZINC001022722928	782623349	/nfs/dbraw/zinc/62/33/49/782623349.db2.gz	DVTWBSFSDMDJEX-WMLDXEAASA-N	1	0	369.469	1.291	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C	ZINC001020415999	769336806	/nfs/dbraw/zinc/33/68/06/769336806.db2.gz	RXSRGMSXVLPQBS-YVSFHVDLSA-N	1	0	361.486	1.169	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)NCC3(CC#N)CC3)cn2)CC1	ZINC000430180544	769534147	/nfs/dbraw/zinc/53/41/47/769534147.db2.gz	RFUGEYUIGOYSGY-UHFFFAOYSA-N	1	0	356.474	1.717	20	30		FDEDRO
COc1ccccc1CNC(=[NH2+])NCc1cccc(N2CCOCC2)n1	ZINC000274731287	769699767	/nfs/dbraw/zinc/69/97/67/769699767.db2.gz	CPINHBNWLSWSTI-UHFFFAOYSA-N	1	0	355.442	1.531	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](NC(=O)c2cc3n(c2)CCCC3)C1	ZINC001211498096	769914285	/nfs/dbraw/zinc/91/42/85/769914285.db2.gz	XVKDCJXBKRUZND-IIDMSEBBSA-N	1	0	356.470	1.012	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)CC[C@@]1(C)CCC(=O)N1	ZINC001211499053	769946971	/nfs/dbraw/zinc/94/69/71/769946971.db2.gz	IXXLAIAZACCVAY-FPDPHYFHSA-N	1	0	368.481	1.944	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCSC2(CC(C(=O)OC)C2)C1	ZINC000890600229	770230435	/nfs/dbraw/zinc/23/04/35/770230435.db2.gz	WIPJJQASORITSC-DGSCNEQVSA-N	1	0	350.484	1.418	20	30		FDEDRO
C[C@@H](NC(=O)[C@H]1C[C@@H](C)CC(=O)N1)C1C[NH+](Cc2ccc(C#N)cc2)C1	ZINC000969689508	770648413	/nfs/dbraw/zinc/64/84/13/770648413.db2.gz	JKOIWJDHUIVCBR-HBUWYVDXSA-N	1	0	354.454	1.409	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]CCCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1	ZINC001167086724	770915711	/nfs/dbraw/zinc/91/57/11/770915711.db2.gz	PQGDDUSRURREPT-KURKYZTESA-N	1	0	355.438	1.270	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H](O)C2)CC1	ZINC000969961628	771130907	/nfs/dbraw/zinc/13/09/07/771130907.db2.gz	DPBAFUMBTSFGLA-OWLYRPNTSA-N	1	0	363.502	1.151	20	30		FDEDRO
C#Cc1cccc(NC(=O)NC(=O)CN(CCC)CC(=O)NCCC)c1	ZINC001167100726	771177840	/nfs/dbraw/zinc/17/78/40/771177840.db2.gz	LISZZTGDQIPENV-UHFFFAOYSA-N	1	0	358.442	1.554	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1cccnc1	ZINC001167124651	771411295	/nfs/dbraw/zinc/41/12/95/771411295.db2.gz	HXMRBNYBKZMROJ-ZWKOTPCHSA-N	1	0	356.470	1.482	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3cccnc3)C2)C1=O	ZINC001022750886	782928724	/nfs/dbraw/zinc/92/87/24/782928724.db2.gz	GOAYVUVTPQITRM-RZFLPCETSA-N	1	0	354.454	1.209	20	30		FDEDRO
C[N@H+](CC(=O)NC1(c2cccc(C#N)c2)CCOCC1)[C@@H]1CCC[C@H]1O	ZINC001167197094	771714998	/nfs/dbraw/zinc/71/49/98/771714998.db2.gz	RNYMXSOOQZQTGH-QZTJIDSGSA-N	1	0	357.454	1.525	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC[C@H]2CCCO2)C1	ZINC001104245300	771756803	/nfs/dbraw/zinc/75/68/03/771756803.db2.gz	APARISJOWQAWRH-KZNAEPCWSA-N	1	0	365.518	1.712	20	30		FDEDRO
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(c3ncnc4ccc(C#N)cc43)C[C@H]1C2	ZINC001167229558	771775269	/nfs/dbraw/zinc/77/52/69/771775269.db2.gz	UBNWXFMNDFXMOQ-WRXMGDCGSA-N	1	0	363.421	1.336	20	30		FDEDRO
NC(=O)[C@@H]1CC[C@H](C(=O)NCCC2(C[NH2+]CC#Cc3ccccc3)CC2)C1	ZINC001167254382	771809440	/nfs/dbraw/zinc/80/94/40/771809440.db2.gz	HFWPSADKEBGINT-MOPGFXCFSA-N	1	0	367.493	1.816	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]CC1(CCNC(=O)[C@H]2OCC[C@H]2C)CC1	ZINC001167262800	771834132	/nfs/dbraw/zinc/83/41/32/771834132.db2.gz	ASTFAAAMRQHPCN-WBVHZDCISA-N	1	0	364.490	1.050	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)N[C@H](C)C2CC2)CC1	ZINC001167277497	771856399	/nfs/dbraw/zinc/85/63/99/771856399.db2.gz	MBTAYNUUZZKHDD-OIISXLGYSA-N	1	0	363.502	1.368	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1	ZINC000970239782	772156927	/nfs/dbraw/zinc/15/69/27/772156927.db2.gz	PJJPKFNCLTXVQE-SQNIBIBYSA-N	1	0	357.454	1.457	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(=O)NC)cc2)C1	ZINC000970240133	772156935	/nfs/dbraw/zinc/15/69/35/772156935.db2.gz	VZVCQWMQLYMFOI-QYZOEREBSA-N	1	0	371.481	1.718	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)COC(C)C)C[C@H]1c1ccccc1	ZINC001211548415	783006132	/nfs/dbraw/zinc/00/61/32/783006132.db2.gz	SSJBWFUVOMSTPL-ZWKOTPCHSA-N	1	0	359.470	1.298	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2ccco2)CC1	ZINC001167295625	772441759	/nfs/dbraw/zinc/44/17/59/772441759.db2.gz	MOUYIIJGLKCYLK-BZUAXINKSA-N	1	0	359.470	1.950	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2(COC)CCCC2)C[C@H]1C	ZINC001104267990	772643059	/nfs/dbraw/zinc/64/30/59/772643059.db2.gz	NWGQZGFXMLHBLU-IAGOWNOFSA-N	1	0	363.502	1.017	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cncc(OC)n1	ZINC001087215607	783055406	/nfs/dbraw/zinc/05/54/06/783055406.db2.gz	ICSSDWPQVNUORS-SPUZQDLCSA-N	1	0	374.485	1.793	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CCCC4)[C@@H]3C2)CC1	ZINC001021382230	773114554	/nfs/dbraw/zinc/11/45/54/773114554.db2.gz	KSWDAOJZYDPPMP-RBUKOAKNSA-N	1	0	355.482	1.501	20	30		FDEDRO
CC(=NNC(=S)NC[C@@H]1CCCO1)c1ccc(OCC[NH+](C)C)cc1	ZINC000748131815	773258930	/nfs/dbraw/zinc/25/89/30/773258930.db2.gz	OMRFQPUVKOWMCD-KRWDZBQOSA-N	1	0	364.515	1.994	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(-n3cnnn3)cn1)C2	ZINC001112489165	773353430	/nfs/dbraw/zinc/35/34/30/773353430.db2.gz	OGTCVTAMGQVPFA-KXBFYZLASA-N	1	0	367.457	1.465	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N(C)C[C@H](C)C#N)cc2)CC1	ZINC000275736197	773450330	/nfs/dbraw/zinc/45/03/30/773450330.db2.gz	VNSYDVRATMMIAM-MRXNPFEDSA-N	1	0	371.485	1.381	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1	ZINC001211550606	783100461	/nfs/dbraw/zinc/10/04/61/783100461.db2.gz	XGELNUIHLRNDJV-ZWKOTPCHSA-N	1	0	369.465	1.686	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccccc2CNC(=O)N[C@@H]2CCCNC2=O)CC1	ZINC000328693209	773524243	/nfs/dbraw/zinc/52/42/43/773524243.db2.gz	SBMDCIWHJKHGKS-GOSISDBHSA-N	1	0	373.501	1.947	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CCCNC3=O)cn2)CC1	ZINC000328694280	773527311	/nfs/dbraw/zinc/52/73/11/773527311.db2.gz	SLKSFPIJDQQUEL-OAHLLOKOSA-N	1	0	360.462	1.346	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC(C)(C)COC)C2	ZINC001112492578	773697038	/nfs/dbraw/zinc/69/70/38/773697038.db2.gz	CZWYHOLNIVOFOW-JXFKEZNVSA-N	1	0	365.518	1.570	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CCCS1(=O)=O)C2	ZINC001112493846	773925964	/nfs/dbraw/zinc/92/59/64/773925964.db2.gz	HOVCUCIWADWGSB-JZXOWHBKSA-N	1	0	352.500	1.195	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnn3ncccc23)C[C@H]1C	ZINC001104298664	774071090	/nfs/dbraw/zinc/07/10/90/774071090.db2.gz	PLGRVPWSCAVRDD-HZPDHXFCSA-N	1	0	355.442	1.067	20	30		FDEDRO
CN(C)c1ccc([C@@H](CNC(=O)CNc2ccc(C#N)cn2)[NH+](C)C)cc1	ZINC000891247132	774091856	/nfs/dbraw/zinc/09/18/56/774091856.db2.gz	FOBDMOZWJRCVLG-GOSISDBHSA-N	1	0	366.469	1.850	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000656183721	774107312	/nfs/dbraw/zinc/10/73/12/774107312.db2.gz	XEPAKKUDRMXXGE-WSTZPKSXSA-N	1	0	359.470	1.608	20	30		FDEDRO
C[NH+](C)Cc1ccoc1C(=O)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1	ZINC001021591467	774124427	/nfs/dbraw/zinc/12/44/27/774124427.db2.gz	TULRIVFDCHIBFL-DOTOQJQBSA-N	1	0	355.438	1.428	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C)co1)C2	ZINC001112513077	783160534	/nfs/dbraw/zinc/16/05/34/783160534.db2.gz	INHGPKQERKGQTN-FTRWYGJKSA-N	1	0	357.454	1.558	20	30		FDEDRO
CC[NH+]1CCN(c2cccc(NC(=O)N3C[C@@H]4COC[C@H](C3)O4)c2)CC1	ZINC000328730342	774329899	/nfs/dbraw/zinc/32/98/99/774329899.db2.gz	FZQPWOAQQJFLMW-HDICACEKSA-N	1	0	360.458	1.474	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C[C@H]1C	ZINC001104306265	774441929	/nfs/dbraw/zinc/44/19/29/774441929.db2.gz	UMRSQGUIJAYHOH-LFGUQSLTSA-N	1	0	372.513	1.985	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)nn1CCC#N	ZINC000275980353	774804328	/nfs/dbraw/zinc/80/43/28/774804328.db2.gz	IJARITPQYAODLQ-HNNXBMFYSA-N	1	0	358.446	1.131	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)c4ccco4)[C@@H]3C2)CC1	ZINC000971112335	774853886	/nfs/dbraw/zinc/85/38/86/774853886.db2.gz	NRGVBCAAAHMSHQ-IAGOWNOFSA-N	1	0	355.438	1.298	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)CN2CCCCS2(=O)=O)C[C@H]1C	ZINC001104422363	783212308	/nfs/dbraw/zinc/21/23/08/783212308.db2.gz	NRQREFNRYBQANG-HZPDHXFCSA-N	1	0	357.520	1.062	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccn(CC(F)F)n2)C[C@H]1C	ZINC001104327275	775092228	/nfs/dbraw/zinc/09/22/28/775092228.db2.gz	FWNMNBWTIQASQL-HUUCEWRRSA-N	1	0	368.428	1.486	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CCN(C)C2=O)C[C@H]1C	ZINC001104332483	775449431	/nfs/dbraw/zinc/44/94/31/775449431.db2.gz	HOVRNIFKEGRUFG-BRWVUGGUSA-N	1	0	351.491	1.132	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)c4ccsc4)[C@@H]3C2)CC1	ZINC000971253665	775470443	/nfs/dbraw/zinc/47/04/43/775470443.db2.gz	SCNCJAAKPDXYJO-SJLPKXTDSA-N	1	0	371.506	1.766	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@@H]3C2)c1	ZINC001021802609	775756416	/nfs/dbraw/zinc/75/64/16/775756416.db2.gz	GZFKMRVQEQDPIT-IWKCEXAMSA-N	1	0	366.465	1.076	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]32)CC[N@@H+]1C	ZINC001021806040	775797908	/nfs/dbraw/zinc/79/79/08/775797908.db2.gz	GZGOBHRWIXJYSJ-OXXUSNJHSA-N	1	0	369.469	1.290	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccsn2)C[C@H]1C	ZINC001104338895	775807624	/nfs/dbraw/zinc/80/76/24/775807624.db2.gz	MWWVIVXJOHGFFU-HZSPNIEDSA-N	1	0	350.488	1.522	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2C(=O)CNC2=O)C1	ZINC001104731518	790391713	/nfs/dbraw/zinc/39/17/13/790391713.db2.gz	MMJYIANTMFNRFL-HUUCEWRRSA-N	1	0	364.490	1.215	20	30		FDEDRO
CCn1nnc(C)c1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC001087151550	776002139	/nfs/dbraw/zinc/00/21/39/776002139.db2.gz	XXTLKRWUXDMEOV-CJNGLKHVSA-N	1	0	369.473	1.837	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)c4ccco4)C[C@H]32)CC1	ZINC001021884079	776484939	/nfs/dbraw/zinc/48/49/39/776484939.db2.gz	SDMYYFUTXZMVPG-DLBZAZTESA-N	1	0	355.438	1.298	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C(C)(F)F)C[C@H]32)CC1	ZINC001021883645	776485128	/nfs/dbraw/zinc/48/51/28/776485128.db2.gz	KDIYRWVPMUCRMQ-LSDHHAIUSA-N	1	0	353.413	1.046	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C4(CC)CCC4)C[C@H]32)CC1	ZINC001021883938	776489575	/nfs/dbraw/zinc/48/95/75/776489575.db2.gz	PGYANBJCCPIJSV-RBUKOAKNSA-N	1	0	371.525	1.971	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C(C)(C)C(=C)C)C[C@H]32)CC1	ZINC001021886572	776501680	/nfs/dbraw/zinc/50/16/80/776501680.db2.gz	GBKDJESQRZGIHU-RBUKOAKNSA-N	1	0	371.525	1.993	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]21	ZINC001021939261	776750022	/nfs/dbraw/zinc/75/00/22/776750022.db2.gz	GIORKTHIMILGGT-LZLYRXPVSA-N	1	0	356.470	1.299	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)C[N@@H+](C)C4CCC4)[C@@H]3C2)nc1	ZINC001021942107	776760635	/nfs/dbraw/zinc/76/06/35/776760635.db2.gz	ZYLZXFUMWQJHLL-QFBILLFUSA-N	1	0	366.465	1.220	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cccn(C(C)(C)C)c3=O)[C@H]2C1	ZINC001083218257	776857403	/nfs/dbraw/zinc/85/74/03/776857403.db2.gz	JLOZSSAWIKCQLF-DLBZAZTESA-N	1	0	359.470	1.705	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H](C)C4CCC4)[C@@H]3C2)CC1	ZINC001021987019	776892633	/nfs/dbraw/zinc/89/26/33/776892633.db2.gz	GZMOQSRNUTVQSR-FFZOFVMBSA-N	1	0	371.525	1.827	20	30		FDEDRO
C=C(C)COCCNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1	ZINC000178019886	776896016	/nfs/dbraw/zinc/89/60/16/776896016.db2.gz	UNVDEMFYQARQGJ-UHFFFAOYSA-N	1	0	374.485	1.476	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1	ZINC000510429238	776912322	/nfs/dbraw/zinc/91/23/22/776912322.db2.gz	VESMFGRITWONGN-QGZVFWFLSA-N	1	0	359.470	1.620	20	30		FDEDRO
N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2CCCC2)C[C@H]1c1ccccc1	ZINC001211515135	776960980	/nfs/dbraw/zinc/96/09/80/776960980.db2.gz	KQOJVDRTIZGYPR-ZWKOTPCHSA-N	1	0	354.454	1.401	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)OC)CCC1	ZINC000933304019	777069262	/nfs/dbraw/zinc/06/92/62/777069262.db2.gz	XESYEHTVBKOJPX-GOSISDBHSA-N	1	0	367.449	1.904	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cnc3ccccn3c2=O)C[C@H]1C	ZINC001104358883	777084779	/nfs/dbraw/zinc/08/47/79/777084779.db2.gz	WVLAJUDMJHLDAU-HZPDHXFCSA-N	1	0	352.438	1.406	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)c1	ZINC001022038505	777353980	/nfs/dbraw/zinc/35/39/80/777353980.db2.gz	SIHMQKUUDVDWRD-PKOBYXMFSA-N	1	0	366.465	1.078	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)[C@@H]3C2)cc1	ZINC000971569290	777670312	/nfs/dbraw/zinc/67/03/12/777670312.db2.gz	MZKKSVPKCFCEIV-CEXWTWQISA-N	1	0	351.450	1.435	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1	ZINC000971570626	777688396	/nfs/dbraw/zinc/68/83/96/777688396.db2.gz	MHAJZEAHTKXQIW-QLFBSQMISA-N	1	0	353.894	1.919	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cn(C)nc2COC)C[C@H]1C	ZINC001104365465	777760850	/nfs/dbraw/zinc/76/08/50/777760850.db2.gz	LMUFRIISHHNKIT-HZPDHXFCSA-N	1	0	364.490	1.457	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N(C)[C@H]3CC[N@@H+](C)C[C@@H]3C)CC2)o1	ZINC000276534837	778027563	/nfs/dbraw/zinc/02/75/63/778027563.db2.gz	FJWDAEYEXUNQTO-GUYCJALGSA-N	1	0	359.474	1.870	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2	ZINC000891557643	778308408	/nfs/dbraw/zinc/30/84/08/778308408.db2.gz	UIJXHEXPGHUBSD-QGZVFWFLSA-N	1	0	357.454	1.657	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)C(=O)Nc2cccc(-n3ccnc3)c2)C1	ZINC000891606312	778491594	/nfs/dbraw/zinc/49/15/94/778491594.db2.gz	FIAKMGBLOQHLHZ-MRXNPFEDSA-N	1	0	351.410	1.025	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)CC1	ZINC001022217253	778683209	/nfs/dbraw/zinc/68/32/09/778683209.db2.gz	HZTYJZMDDCANPV-ZWKOTPCHSA-N	1	0	357.498	1.888	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1	ZINC001104376880	778697438	/nfs/dbraw/zinc/69/74/38/778697438.db2.gz	XOGWBZSRTKYONF-AYOQOUSVSA-N	1	0	368.481	1.659	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn(C)nc1OC)C2	ZINC001112506831	778714216	/nfs/dbraw/zinc/71/42/16/778714216.db2.gz	HYBICDWEQKTQEX-KXBFYZLASA-N	1	0	362.474	1.463	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)c1	ZINC000276731906	779224804	/nfs/dbraw/zinc/22/48/04/779224804.db2.gz	DJZUATBBDFXWKT-UHFFFAOYSA-N	1	0	357.454	1.875	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)[N@H+](C)C1	ZINC000328909663	779337749	/nfs/dbraw/zinc/33/77/49/779337749.db2.gz	DVOCUGTXSBDFQV-HOCLYGCPSA-N	1	0	361.442	1.938	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@H+](C)C2(CO)CCOCC2)c(OC)c1	ZINC000276762869	779396620	/nfs/dbraw/zinc/39/66/20/779396620.db2.gz	JUIRJIADMDUHFE-KRWDZBQOSA-N	1	0	365.470	1.637	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC(C)(C)C#N)c(C)c2)CC1	ZINC000510664374	779511964	/nfs/dbraw/zinc/51/19/64/779511964.db2.gz	FQMGYYGXXFTOAO-UHFFFAOYSA-N	1	0	371.485	1.741	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1c1ccccc1	ZINC001211526482	779967505	/nfs/dbraw/zinc/96/75/05/779967505.db2.gz	JWGPSORZRSOZHO-HHXXYDBFSA-N	1	0	366.465	1.903	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN(C)S(C)(=O)=O)C1	ZINC001112507790	779991756	/nfs/dbraw/zinc/99/17/56/779991756.db2.gz	ABWWTEKNYAXQHD-YJBOKZPZSA-N	1	0	371.547	1.308	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4CCCC[N@H+]4C)[C@@H]3C2)c1	ZINC001022424167	780028058	/nfs/dbraw/zinc/02/80/58/780028058.db2.gz	PUNRYOWZTVWUBI-YTQUADARSA-N	1	0	366.465	1.220	20	30		FDEDRO
N#CC1(F)CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1	ZINC000510903932	780126071	/nfs/dbraw/zinc/12/60/71/780126071.db2.gz	VFVHPPJKKSTIJI-UHFFFAOYSA-N	1	0	366.481	1.465	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC(n2cc(C(C)=O)nn2)C1)C(C)C	ZINC000891940827	780307609	/nfs/dbraw/zinc/30/76/09/780307609.db2.gz	VFXNVNHVTCYSDG-SFHVURJKSA-N	1	0	374.489	1.746	20	30		FDEDRO
Cn1nccc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1	ZINC001022471719	780486457	/nfs/dbraw/zinc/48/64/57/780486457.db2.gz	OQBKQXAFTTZZJW-YYIAUSFCSA-N	1	0	367.428	1.971	20	30		FDEDRO
C#CC1(F)CN(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])C1	ZINC000934036842	780653226	/nfs/dbraw/zinc/65/32/26/780653226.db2.gz	JEKDJZSNGWRLLK-UHFFFAOYSA-N	1	0	361.377	1.536	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc4c([nH]c3=O)CCCC4)[C@H]2C1	ZINC001083231053	780770809	/nfs/dbraw/zinc/77/08/09/780770809.db2.gz	HBOCPIQZDAAHEH-ZWKOTPCHSA-N	1	0	355.438	1.215	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@H]2O)CC1	ZINC001025490949	790843107	/nfs/dbraw/zinc/84/31/07/790843107.db2.gz	LEVBGGKFCKASRP-KZNAEPCWSA-N	1	0	363.502	1.295	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1	ZINC000891984596	781075465	/nfs/dbraw/zinc/07/54/65/781075465.db2.gz	AZYHTNFHXLUHNH-UHFFFAOYSA-N	1	0	359.470	1.659	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)c4conc4C)[C@@H]3C2)CC1	ZINC001022562576	781126388	/nfs/dbraw/zinc/12/63/88/781126388.db2.gz	HWZOPTHGOWIQMY-FUHWJXTLSA-N	1	0	370.453	1.001	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@H]21	ZINC001022566931	781170460	/nfs/dbraw/zinc/17/04/60/781170460.db2.gz	MRVSOQXXNZCVMI-VNHYZAJKSA-N	1	0	360.483	1.642	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H](C[NH3+])C3CCCCC3)CC2)cn1	ZINC000892009370	781198883	/nfs/dbraw/zinc/19/88/83/781198883.db2.gz	ZRVMUUNZOFPANP-SFHVURJKSA-N	1	0	356.474	1.692	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)c1C#N	ZINC000472074603	781468693	/nfs/dbraw/zinc/46/86/93/781468693.db2.gz	RRARLDTVWGDXTJ-HOTGVXAUSA-N	1	0	373.505	1.305	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(-c4cnco4)c3)[C@H]2C1	ZINC001083238395	781658895	/nfs/dbraw/zinc/65/88/95/781658895.db2.gz	BJSNJNPFDXXOEI-PKOBYXMFSA-N	1	0	351.406	1.890	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2ccc(C)cc2)C[C@H]1C	ZINC001104398694	781695401	/nfs/dbraw/zinc/69/54/01/781695401.db2.gz	XWLNFGUXGCIFST-WSTZPKSXSA-N	1	0	369.509	1.750	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@@H](NC(=O)NC1CCC(N3CC[NH2+]CC3)CC1)C2	ZINC000892132817	781702311	/nfs/dbraw/zinc/70/23/11/781702311.db2.gz	WDCKJLMUFWMKFI-GPJFCIFZSA-N	1	0	367.497	1.541	20	30		FDEDRO
N#CCSCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C[C@@H]2CCOC2)C1	ZINC001211537780	781742640	/nfs/dbraw/zinc/74/26/40/781742640.db2.gz	AYKIMNBBYHBJBN-RYQLBKOJSA-N	1	0	359.495	1.864	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCC)C[C@H]1c1ccccc1	ZINC001211537885	781763541	/nfs/dbraw/zinc/76/35/41/781763541.db2.gz	GUZACRHLIWBPBR-BPQIPLTHSA-N	1	0	359.470	1.298	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(=O)n(CCOC)n2)C[C@H]1C	ZINC001104399481	781783165	/nfs/dbraw/zinc/78/31/65/781783165.db2.gz	LFMCFLSASFFJKP-HZPDHXFCSA-N	1	0	362.474	1.154	20	30		FDEDRO
Cn1cc([C@@H]2CN([C@H]3CCN(c4sccc4C#N)C3=O)C[C@H]2CO)cn1	ZINC000277766514	783242695	/nfs/dbraw/zinc/24/26/95/783242695.db2.gz	MREVPOLLOVRUMY-JYJNAYRXSA-N	1	0	371.466	1.166	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cccc3oc(=O)[nH]c32)C[C@H]1C	ZINC001104423722	783296463	/nfs/dbraw/zinc/29/64/63/783296463.db2.gz	XBQUGSKWXVNMLE-HUUCEWRRSA-N	1	0	371.437	1.871	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1	ZINC000277796305	783341641	/nfs/dbraw/zinc/34/16/41/783341641.db2.gz	NCACPWPXJOJIOT-SFHVURJKSA-N	1	0	354.454	1.923	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1c1ccccc1	ZINC001211554030	783351225	/nfs/dbraw/zinc/35/12/25/783351225.db2.gz	SKDMWKGRXGCESS-RCCFBDPRSA-N	1	0	357.454	1.052	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc3ncnn32)C[C@H]1c1ccccc1	ZINC001211629352	783744980	/nfs/dbraw/zinc/74/49/80/783744980.db2.gz	MEVLDNPTQIJNRH-ZWKOTPCHSA-N	1	0	359.433	1.950	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3cccc(C)c3)C[C@H]21	ZINC000972835131	783902652	/nfs/dbraw/zinc/90/26/52/783902652.db2.gz	OVDUKEDSMCENNG-HSALFYBXSA-N	1	0	365.477	1.766	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21	ZINC000972846222	783931464	/nfs/dbraw/zinc/93/14/64/783931464.db2.gz	JVVCSDHUXUTHPN-FHLIZLRMSA-N	1	0	369.469	1.434	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@H]2O)C1	ZINC001025542038	790997114	/nfs/dbraw/zinc/99/71/14/790997114.db2.gz	JGWNHMSIJCMRQQ-GVDBMIGSSA-N	1	0	363.502	1.294	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2nnnn2C(C)C)C1	ZINC001024164597	784154711	/nfs/dbraw/zinc/15/47/11/784154711.db2.gz	DOUDMZKABIQJHB-XHSDSOJGSA-N	1	0	362.478	1.173	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2nnc(C)[nH]2)C1	ZINC001024192236	784289578	/nfs/dbraw/zinc/28/95/78/784289578.db2.gz	PWTMTXSJQUCCAR-RYRKJORJSA-N	1	0	361.490	1.813	20	30		FDEDRO
C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)NCC(=O)NCC#N)CC1	ZINC000377072351	791028821	/nfs/dbraw/zinc/02/88/21/791028821.db2.gz	NLESGXIPIRELHN-QGZVFWFLSA-N	1	0	357.458	1.322	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN(C(C)=O)C2)C[C@H]1c1ccccc1	ZINC001211631789	784901627	/nfs/dbraw/zinc/90/16/27/784901627.db2.gz	OPRAONOTKAFLBO-QHAWAJNXSA-N	1	0	367.493	1.852	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@H]1c1ccccc1	ZINC001211631890	784924741	/nfs/dbraw/zinc/92/47/41/784924741.db2.gz	UOHMMRKEFDVBOI-CEXWTWQISA-N	1	0	368.481	1.385	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccnc3n[nH]nc32)C[C@H]1c1ccccc1	ZINC001211632485	785050608	/nfs/dbraw/zinc/05/06/08/785050608.db2.gz	DUCMJOGZTPPGEW-DLBZAZTESA-N	1	0	360.421	1.574	20	30		FDEDRO
C[C@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](C)[NH+]1CCO	ZINC000364821159	785192399	/nfs/dbraw/zinc/19/23/99/785192399.db2.gz	KMUJDFBJBSNNDD-HOTGVXAUSA-N	1	0	353.470	1.846	20	30		FDEDRO
CC(C)NC(=O)c1cnn2c1C[C@H](C[NH2+]Cc1cc(C#N)n(C)c1)CC2	ZINC000365129922	785297324	/nfs/dbraw/zinc/29/73/24/785297324.db2.gz	AKZFLGXXAILUPA-CQSZACIVSA-N	1	0	354.458	1.584	20	30		FDEDRO
CN1CC[NH+](C[C@@H]2CCCN(C(=O)NCc3cccc(C#N)c3)C2)CC1	ZINC000365260030	785362698	/nfs/dbraw/zinc/36/26/98/785362698.db2.gz	OPFUBZJKBPFSGF-IBGZPJMESA-N	1	0	355.486	1.727	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CCCC[C@H]2CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)c1	ZINC001024650595	785618038	/nfs/dbraw/zinc/61/80/38/785618038.db2.gz	FWVORTUGXFPMDX-OKZBNKHCSA-N	1	0	370.453	1.062	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)[C@H]2C1	ZINC001083271606	785835341	/nfs/dbraw/zinc/83/53/41/785835341.db2.gz	RSINDJWSKTVQFT-RYQLBKOJSA-N	1	0	361.486	1.265	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)[C@H]2C1	ZINC001083273455	786716932	/nfs/dbraw/zinc/71/69/32/786716932.db2.gz	SFORPBPGPOOINT-DLBZAZTESA-N	1	0	360.458	1.219	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1	ZINC000947251374	787008654	/nfs/dbraw/zinc/00/86/54/787008654.db2.gz	KROPPQIVEODOFF-ZACQAIPSSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(F)cn3)C[C@H]21	ZINC000978828846	805804194	/nfs/dbraw/zinc/80/41/94/805804194.db2.gz	MZRGUEJRDDDTTI-FKSLSLAPSA-N	1	0	359.445	1.996	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3nccnc3C)C[C@H]21	ZINC000978837639	805805846	/nfs/dbraw/zinc/80/58/46/805805846.db2.gz	HUNWTWMPHLMVIT-CWLGOENISA-N	1	0	356.470	1.560	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCCO)C2)nn1	ZINC001211684304	805807725	/nfs/dbraw/zinc/80/77/25/805807725.db2.gz	RBYTUKKBZWKXJU-DLBZAZTESA-N	1	0	355.442	1.044	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COC2CCOCC2)C[C@H]1c1ccccc1	ZINC001211684190	805815299	/nfs/dbraw/zinc/81/52/99/805815299.db2.gz	MRMFRPJHUDTIRY-VQTJNVASSA-N	1	0	356.466	1.790	20	30		FDEDRO
Cc1nn(C)c(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1C#N	ZINC000892616967	787740519	/nfs/dbraw/zinc/74/05/19/787740519.db2.gz	QPQGIBOBOABXRH-WBVHZDCISA-N	1	0	369.473	1.786	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnc3cccnn32)C[C@H]1c1ccccc1	ZINC001211684399	805826745	/nfs/dbraw/zinc/82/67/45/805826745.db2.gz	VTXRRSYQEQGHSC-ZWKOTPCHSA-N	1	0	359.433	1.950	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1	ZINC000659102853	788028207	/nfs/dbraw/zinc/02/82/07/788028207.db2.gz	IQJSPDUKEZQGKT-UHFFFAOYSA-N	1	0	359.348	1.812	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1	ZINC000978874631	805871388	/nfs/dbraw/zinc/87/13/88/805871388.db2.gz	MOZZGNMRUMUQAQ-DCXPXDSUSA-N	1	0	372.469	1.505	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC(=O)NCC)C1	ZINC001104607534	788847600	/nfs/dbraw/zinc/84/76/00/788847600.db2.gz	YKHFEQWNXGSVBE-BZUAXINKSA-N	1	0	366.506	1.651	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH]c3ncccc23)C1	ZINC001112009499	789070782	/nfs/dbraw/zinc/07/07/82/789070782.db2.gz	GNJWAMDJWISQFS-UWJYYQICSA-N	1	0	366.465	1.726	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC(N)=O)C2)CCC1	ZINC001104639491	789111597	/nfs/dbraw/zinc/11/15/97/789111597.db2.gz	PYUUZAUEFWQALI-RBSFLKMASA-N	1	0	364.490	1.390	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2occc2Cl)C[C@H]1C	ZINC001104641609	789115374	/nfs/dbraw/zinc/11/53/74/789115374.db2.gz	WRHSBDFFVVZPLT-MGPQQGTHSA-N	1	0	365.861	1.759	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)Nc3cnccn3)C2)C1	ZINC001104653019	789176655	/nfs/dbraw/zinc/17/66/55/789176655.db2.gz	RVAZGZIJXAUFMH-HZPDHXFCSA-N	1	0	371.485	1.846	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1F	ZINC001104686767	789377881	/nfs/dbraw/zinc/37/78/81/789377881.db2.gz	OQBKATKITHWAQR-YYQUZTFQSA-N	1	0	372.444	1.393	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnn(CC)n2)C1	ZINC001104704237	789553879	/nfs/dbraw/zinc/55/38/79/789553879.db2.gz	NSYJJMDTQJAWIH-AHCXZYCDSA-N	1	0	361.490	1.463	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N[C@]3(C)C[NH+]4CCC3CC4)CC2)o1	ZINC000892773048	791169507	/nfs/dbraw/zinc/16/95/07/791169507.db2.gz	AAVQNQTXMICSBT-LJQANCHMSA-N	1	0	357.458	1.672	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N[C@@]3(C)C[NH+]4CCC3CC4)CC2)o1	ZINC000892773047	791170056	/nfs/dbraw/zinc/17/00/56/791170056.db2.gz	AAVQNQTXMICSBT-IBGZPJMESA-N	1	0	357.458	1.672	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC000979088020	806043231	/nfs/dbraw/zinc/04/32/31/806043231.db2.gz	VWMBGUDEFAUONT-MXASKKJJSA-N	1	0	354.454	1.028	20	30		FDEDRO
CC1CC[NH+](CC2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)CC1	ZINC000377219000	791297309	/nfs/dbraw/zinc/29/73/09/791297309.db2.gz	ZLFDGSCTVIWQTP-UHFFFAOYSA-N	1	0	359.478	1.303	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCN(c3cc(=O)[nH]cn3)C2)CC1	ZINC000892851789	791455447	/nfs/dbraw/zinc/45/54/47/791455447.db2.gz	RAXLOIIEXWMLEM-HNNXBMFYSA-N	1	0	360.462	1.101	20	30		FDEDRO
C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1	ZINC000415189888	791611881	/nfs/dbraw/zinc/61/18/81/791611881.db2.gz	WRQGZCIONIQHFW-CYBMUJFWSA-N	1	0	364.405	1.806	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CC23CCN(c2ccnc(C#N)n2)CC3)CC[N@@H+]1C	ZINC001058655695	791699536	/nfs/dbraw/zinc/69/95/36/791699536.db2.gz	HLRWYNIDYRFPIZ-XHSDSOJGSA-N	1	0	368.485	1.554	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C2CCC2)[C@@H]2CCCO2)CC1	ZINC000636676086	806105634	/nfs/dbraw/zinc/10/56/34/806105634.db2.gz	DENFGVQTUXJDML-ROUUACIJSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=CCc1ccc(OCC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(OC)c1	ZINC000377468246	791911843	/nfs/dbraw/zinc/91/18/43/791911843.db2.gz	ASHLHPIQSMBYRE-IRXDYDNUSA-N	1	0	360.454	1.782	20	30		FDEDRO
C[NH+]1CCC(n2ccc(N[C@H]3CCN(c4ccc(C#N)cc4)C3=O)n2)CC1	ZINC000377503791	791985903	/nfs/dbraw/zinc/98/59/03/791985903.db2.gz	SXHCBDWWRQJKRD-SFHVURJKSA-N	1	0	364.453	2.239	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)C3CCCCC3)C[C@H]21	ZINC001025790744	792041195	/nfs/dbraw/zinc/04/11/95/792041195.db2.gz	KZGJTTGONGSIGZ-MILMJNAHSA-N	1	0	362.514	1.955	20	30		FDEDRO
C=CCN(C(=O)c1ccc(=O)n(C)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000377572590	792243386	/nfs/dbraw/zinc/24/33/86/792243386.db2.gz	KFCLZXWTSFUANK-KRWDZBQOSA-N	1	0	352.438	1.683	20	30		FDEDRO
CCCN(CC#N)C(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C	ZINC000377613637	792325478	/nfs/dbraw/zinc/32/54/78/792325478.db2.gz	DMNOWLNUJPAXQI-UHFFFAOYSA-N	1	0	352.442	1.939	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCC([NH3+])(CC)CC)cc1	ZINC000415478034	792334452	/nfs/dbraw/zinc/33/44/52/792334452.db2.gz	YIRVSZVCHMETQB-UHFFFAOYSA-N	1	0	361.446	1.566	20	30		FDEDRO
CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000415494939	792367095	/nfs/dbraw/zinc/36/70/95/792367095.db2.gz	FMMMTAAGFRJILO-LBPRGKRZSA-N	1	0	368.384	1.930	20	30		FDEDRO
C[C@@]1(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(=O)NCC#N)C2)C=CCC1	ZINC001211650310	792374923	/nfs/dbraw/zinc/37/49/23/792374923.db2.gz	CLASUMCFARWYQU-WAOWUJCRSA-N	1	0	366.465	1.567	20	30		FDEDRO
C[NH+](C)CCOc1cccc(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1	ZINC000377664647	792455601	/nfs/dbraw/zinc/45/56/01/792455601.db2.gz	AWIQQGZZWPATLQ-SFHVURJKSA-N	1	0	371.485	1.509	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)[C@@H](C)C[NH2+]1	ZINC000415577253	792581854	/nfs/dbraw/zinc/58/18/54/792581854.db2.gz	YXTJJBBMJXZRIX-ZJUUUORDSA-N	1	0	370.331	1.604	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCc2nc(C#N)cs2)[C@H](C)C1	ZINC000893050157	792644128	/nfs/dbraw/zinc/64/41/28/792644128.db2.gz	HRSIKVJEFLZANB-UKRRQHHQSA-N	1	0	365.503	1.951	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1	ZINC000415625173	792719429	/nfs/dbraw/zinc/71/94/29/792719429.db2.gz	OYTUXBLZXPCIJX-SWLSCSKDSA-N	1	0	359.430	1.047	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(N(C)C(C)=O)cc3)[C@H]2C1	ZINC001083288116	792836755	/nfs/dbraw/zinc/83/67/55/792836755.db2.gz	OVYCSPLRVKLXLA-RBUKOAKNSA-N	1	0	355.438	1.218	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1	ZINC000415714123	792858234	/nfs/dbraw/zinc/85/82/34/792858234.db2.gz	UDHSUDIJKDCYIV-KRWDZBQOSA-N	1	0	356.470	1.250	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1C#N	ZINC000415738049	792902475	/nfs/dbraw/zinc/90/24/75/792902475.db2.gz	DGKCHUJMHXLHKS-ZFWWWQNUSA-N	1	0	356.426	1.352	20	30		FDEDRO
CCCc1c(NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH3+])cnn1-c1cccc(C#N)c1	ZINC000415776588	792973127	/nfs/dbraw/zinc/97/31/27/792973127.db2.gz	AYQQMEFBGCAYAD-OLZOCXBDSA-N	1	0	368.441	1.487	20	30		FDEDRO
CCCc1c(NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH3+])cnn1-c1cccc(C#N)c1	ZINC000415776591	792973164	/nfs/dbraw/zinc/97/31/64/792973164.db2.gz	AYQQMEFBGCAYAD-STQMWFEESA-N	1	0	368.441	1.487	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N(C)C[C@H]2CCCN2c2cccnn2)CC1	ZINC000377911102	793057885	/nfs/dbraw/zinc/05/78/85/793057885.db2.gz	MTFARRVIOUOGBU-QGZVFWFLSA-N	1	0	358.490	1.737	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC#Cc1cccc(F)c1	ZINC000511534062	793074705	/nfs/dbraw/zinc/07/47/05/793074705.db2.gz	XISOIHSKFKOHPG-SFHVURJKSA-N	1	0	374.460	1.419	20	30		FDEDRO
C[C@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@@H]1C[NH3+]	ZINC000415837955	793107260	/nfs/dbraw/zinc/10/72/60/793107260.db2.gz	CZEIKWVSKBKSKR-JQWIXIFHSA-N	1	0	366.368	1.541	20	30		FDEDRO
CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1	ZINC000415847407	793154914	/nfs/dbraw/zinc/15/49/14/793154914.db2.gz	BQYXMTBKYQWBCE-MRXNPFEDSA-N	1	0	358.417	1.872	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1	ZINC000415856064	793189362	/nfs/dbraw/zinc/18/93/62/793189362.db2.gz	ZHECBEWLCAIIBW-UKRRQHHQSA-N	1	0	358.442	1.727	20	30		FDEDRO
CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)CC1	ZINC000415860883	793204731	/nfs/dbraw/zinc/20/47/31/793204731.db2.gz	NWGHILCEKMQMJE-QGZVFWFLSA-N	1	0	354.454	1.928	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1	ZINC000415870414	793263596	/nfs/dbraw/zinc/26/35/96/793263596.db2.gz	MTQHRCRJKRAFEL-OWCLPIDISA-N	1	0	370.453	1.788	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCC)C1	ZINC001104757289	793473948	/nfs/dbraw/zinc/47/39/48/793473948.db2.gz	DRQMEYTXZDNICO-KBAYOESNSA-N	1	0	353.507	1.568	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2coc(C3CC3)n2)C[C@H]1C	ZINC001104761428	793532912	/nfs/dbraw/zinc/53/29/12/793532912.db2.gz	JTQGCHDJXKDRPF-UKRRQHHQSA-N	1	0	360.458	1.542	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1CC[NH2+]Cc1ccc(C#N)s1	ZINC001104765630	793537971	/nfs/dbraw/zinc/53/79/71/793537971.db2.gz	JUHDCWGZQULTPI-ZIAGYGMSSA-N	1	0	362.499	1.672	20	30		FDEDRO
Cn1nnc2c1C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)CC2	ZINC000290605486	793542162	/nfs/dbraw/zinc/54/21/62/793542162.db2.gz	BADDVMFYGXJGCF-KRWDZBQOSA-N	1	0	366.469	1.382	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC)C2)cc1	ZINC001104767798	793550567	/nfs/dbraw/zinc/55/05/67/793550567.db2.gz	DCNOAJHLDSPOEN-JFIYKMOQSA-N	1	0	371.481	1.521	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCOCC(F)F)C2)nn1	ZINC001104769237	793555565	/nfs/dbraw/zinc/55/55/65/793555565.db2.gz	LAZODYUEVUSSQM-ZIAGYGMSSA-N	1	0	371.432	1.434	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ncc(C)cn3)C2)nn1	ZINC001104769419	793556403	/nfs/dbraw/zinc/55/64/03/793556403.db2.gz	UHBOYIXEYMIWFS-HZPDHXFCSA-N	1	0	369.473	1.451	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ccnn3C)C2)nn1	ZINC001104777497	793600113	/nfs/dbraw/zinc/60/01/13/793600113.db2.gz	MXVSKUYVVVVEAH-HZPDHXFCSA-N	1	0	371.489	1.476	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccnc(-n4cncn4)c3)[C@H]2C1	ZINC001083291482	793625151	/nfs/dbraw/zinc/62/51/51/793625151.db2.gz	JLCHMZLKLITEQP-DLBZAZTESA-N	1	0	368.441	1.154	20	30		FDEDRO
C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C	ZINC001104790585	793702082	/nfs/dbraw/zinc/70/20/82/793702082.db2.gz	WRZZBNUFMMRKES-HZPDHXFCSA-N	1	0	363.502	1.860	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)C[C@H]1C	ZINC001104852249	794076371	/nfs/dbraw/zinc/07/63/71/794076371.db2.gz	MQWXHXTTWSHPQE-IXDOHACOSA-N	1	0	359.474	1.026	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CN2CN=NC2=O)C1	ZINC001087425868	806301815	/nfs/dbraw/zinc/30/18/15/806301815.db2.gz	XTHDLAAGJZLRMQ-IAGOWNOFSA-N	1	0	355.442	1.534	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C	ZINC001104879428	794193781	/nfs/dbraw/zinc/19/37/81/794193781.db2.gz	IVKFKWMQEGPWPN-BRWVUGGUSA-N	1	0	354.516	1.299	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)COCc2nc(CC)no2)C[C@H]1C	ZINC001104888770	794227404	/nfs/dbraw/zinc/22/74/04/794227404.db2.gz	PWDBBZKPABYPIH-TZMCWYRMSA-N	1	0	370.881	1.975	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CCC(=O)NCCCOC)C[C@H]1C	ZINC001104892608	794241443	/nfs/dbraw/zinc/24/14/43/794241443.db2.gz	FNPZOJDIDMHCAE-IAGOWNOFSA-N	1	0	353.507	1.570	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCN(C(=O)c3cccnc3)C2)CC1	ZINC000363858167	794286055	/nfs/dbraw/zinc/28/60/55/794286055.db2.gz	UPBGAOQUPOJZES-GOSISDBHSA-N	1	0	371.485	1.636	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)C2CCC(C(=O)N(C)C)CC2)C[C@H]1C	ZINC001104901452	794306765	/nfs/dbraw/zinc/30/67/65/794306765.db2.gz	FEXXWOXFKAAEOY-LWSMDNFKSA-N	1	0	361.530	1.979	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(CC)n2)C[C@H]1c1ccccc1	ZINC001211690721	806324813	/nfs/dbraw/zinc/32/48/13/806324813.db2.gz	IOAPPWVNPLFGPI-PKOBYXMFSA-N	1	0	364.449	1.484	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(=O)[nH]c4c3CCCC4)[C@H]2C1	ZINC001083293462	794382327	/nfs/dbraw/zinc/38/23/27/794382327.db2.gz	FKORWLZVBRJTEM-ZWKOTPCHSA-N	1	0	357.454	1.767	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1	ZINC000378603018	794392379	/nfs/dbraw/zinc/39/23/79/794392379.db2.gz	YZHHUKKJRVPOJA-GJZGRUSLSA-N	1	0	356.426	1.613	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(C)(C)C)C2)nc1	ZINC001104923585	794417750	/nfs/dbraw/zinc/41/77/50/794417750.db2.gz	LAINSVRCPACLDP-NVXWUHKLSA-N	1	0	370.497	1.665	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](C)c3nnnn3C)C2)nc1	ZINC001104924464	794422092	/nfs/dbraw/zinc/42/20/92/794422092.db2.gz	NSWCJEYJOVIQIT-IJEWVQPXSA-N	1	0	367.457	1.035	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](C)c3nnc(C)[nH]3)C2)nc1	ZINC001104925000	794423937	/nfs/dbraw/zinc/42/39/37/794423937.db2.gz	WTFRDYUADBIFRI-CKEIUWERSA-N	1	0	366.469	1.938	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cc(Cl)no2)C[C@H]1C	ZINC001104936439	794470572	/nfs/dbraw/zinc/47/05/72/794470572.db2.gz	USRANNGYUCQKEG-FRRDWIJNSA-N	1	0	368.865	1.707	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CCC)NC(N)=O)C[C@H]1C	ZINC001104952369	794536746	/nfs/dbraw/zinc/53/67/46/794536746.db2.gz	UCLACZCYVAPAHJ-BZUAXINKSA-N	1	0	354.495	1.100	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC=C)C1	ZINC001104954486	794551195	/nfs/dbraw/zinc/55/11/95/794551195.db2.gz	DNLYRZCHLJBLJJ-YLJYHZDGSA-N	1	0	367.493	1.587	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CCCCC(=O)N2)C[C@H]1C	ZINC001104954922	794554055	/nfs/dbraw/zinc/55/40/55/794554055.db2.gz	ZMHMFUBRNAFPRY-KURKYZTESA-N	1	0	363.502	1.159	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)COCc2cccnc2)C[C@H]1C	ZINC001104957807	794570359	/nfs/dbraw/zinc/57/03/59/794570359.db2.gz	PWLAQMPUZYZDKP-IEBWSBKVSA-N	1	0	361.486	1.875	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H]3CCNC3=O)C2)CCOCC1	ZINC001104960116	794595744	/nfs/dbraw/zinc/59/57/44/794595744.db2.gz	PXZWGMLSYYNVBA-ZACQAIPSSA-N	1	0	363.502	1.322	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCCC)C1	ZINC001112068595	794683734	/nfs/dbraw/zinc/68/37/34/794683734.db2.gz	HCAHMVFFCGHQGX-ZIAGYGMSSA-N	1	0	352.397	1.985	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000974186903	794695041	/nfs/dbraw/zinc/69/50/41/794695041.db2.gz	GSUQFSFQBZLWBO-DQEVTTJGSA-N	1	0	353.466	1.314	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1CC[NH2+]Cc1cc(C#N)ccc1F	ZINC001104986392	794742054	/nfs/dbraw/zinc/74/20/54/794742054.db2.gz	DUWDRQPZZIHMOZ-GDBMZVCRSA-N	1	0	370.432	1.563	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1CC[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001104986330	794742172	/nfs/dbraw/zinc/74/21/72/794742172.db2.gz	AOMBJMWEZJJUNA-GDBMZVCRSA-N	1	0	370.432	1.563	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@H]1C	ZINC001104991945	794759573	/nfs/dbraw/zinc/75/95/73/794759573.db2.gz	PJGOAPWQIXERKZ-QLFBSQMISA-N	1	0	359.474	1.618	20	30		FDEDRO
CC(C)C[C@@H](CNc1ccc(C#N)cn1)NC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC001105002251	794832231	/nfs/dbraw/zinc/83/22/31/794832231.db2.gz	ZIBZOAUDRJGSJF-HYVNUMGLSA-N	1	0	359.474	1.615	20	30		FDEDRO
CC(C)C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC001105001386	794841041	/nfs/dbraw/zinc/84/10/41/794841041.db2.gz	HJOJVOCJSWFGDR-IJEWVQPXSA-N	1	0	360.462	1.010	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2ccc(C)nc2)C[C@H]1C	ZINC001105017109	794934398	/nfs/dbraw/zinc/93/43/98/794934398.db2.gz	PHHQLFFLLHMJFU-SZVBFZGTSA-N	1	0	370.497	1.145	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cccn2CC)C[C@H]1C	ZINC001105018237	794947114	/nfs/dbraw/zinc/94/71/14/794947114.db2.gz	ZLBZCNONEYQIHH-BRWVUGGUSA-N	1	0	360.502	1.887	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1CC[NH2+]CCn1cncn1	ZINC001105045567	795047643	/nfs/dbraw/zinc/04/76/43/795047643.db2.gz	WTQJANKQIZXNIV-UYAOXDASSA-N	1	0	365.481	1.794	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)NC(=O)NCCC)C[C@H]1C	ZINC001105060889	795103828	/nfs/dbraw/zinc/10/38/28/795103828.db2.gz	WCQDNSFWLHLIEE-HZPDHXFCSA-N	1	0	350.507	1.572	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C2)cc1	ZINC001105078873	795175407	/nfs/dbraw/zinc/17/54/07/795175407.db2.gz	FJKPZPRIGIWEBP-NVXWUHKLSA-N	1	0	359.470	1.353	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2ncccn2)C[C@H]1c1ccccc1	ZINC001211692601	806397282	/nfs/dbraw/zinc/39/72/82/806397282.db2.gz	BBQRSVRELSCHEC-ZWKOTPCHSA-N	1	0	350.422	1.324	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cc3n(n2)CCC3)C1	ZINC001105090184	795233423	/nfs/dbraw/zinc/23/34/23/795233423.db2.gz	MIURFSYAHZTQOG-IAGOWNOFSA-N	1	0	360.502	1.996	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)CN(C)c2ccccc2)C[C@H]1C	ZINC001105097712	795266533	/nfs/dbraw/zinc/26/65/33/795266533.db2.gz	XKFBAZBPDYYNNI-RTBURBONSA-N	1	0	357.498	1.847	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCO[C@H](C[NH3+])C3)C2)c(F)c1	ZINC000417582667	795305790	/nfs/dbraw/zinc/30/57/90/795305790.db2.gz	VMYGDPCVUPWNQM-HUUCEWRRSA-N	1	0	361.421	1.035	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)C2CCOCC2)C[C@H]1C	ZINC001105121765	795350476	/nfs/dbraw/zinc/35/04/76/795350476.db2.gz	YFIYIDMSUWDDCP-ZHALLVOQSA-N	1	0	350.503	1.773	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CC[C@H](C)F)nn2)C1	ZINC001105242935	795532172	/nfs/dbraw/zinc/53/21/72/795532172.db2.gz	OEKLPEAJUHMETH-XKQJLSEDSA-N	1	0	365.453	1.480	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)NCCCN3CC[NH2+]CC3)CC2)cc1	ZINC000418284073	795699081	/nfs/dbraw/zinc/69/90/81/795699081.db2.gz	BJHCOMDIYFYCQU-UHFFFAOYSA-N	1	0	371.485	1.406	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC#N)C1	ZINC001211655708	795746905	/nfs/dbraw/zinc/74/69/05/795746905.db2.gz	UXRIOQIMLURXAJ-YTQUADARSA-N	1	0	368.481	1.813	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)CC1	ZINC000408100237	795932944	/nfs/dbraw/zinc/93/29/44/795932944.db2.gz	VFFWOGUJLWCGNF-FHWLQOOXSA-N	1	0	361.534	1.237	20	30		FDEDRO
CCCC[C@H](C[NH3+])NC(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000418461769	795947166	/nfs/dbraw/zinc/94/71/66/795947166.db2.gz	JMIVFLMEENLERM-KSMMKXTCSA-N	1	0	355.442	1.559	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCO[C@H]3C=C)C2)nn1	ZINC001105328798	796118903	/nfs/dbraw/zinc/11/89/03/796118903.db2.gz	WNAFKDLNRFGTDH-QGTPRVQTSA-N	1	0	359.474	1.697	20	30		FDEDRO
COc1ccc(C#N)cc1CN1C[C@@H](NC(=O)c2cccc(F)c2)[C@@H](O)C1	ZINC001083315453	806633393	/nfs/dbraw/zinc/63/33/93/806633393.db2.gz	FJTVPFLASGAOFP-MSOLQXFVSA-N	1	0	369.396	1.681	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1	ZINC000980016506	806679267	/nfs/dbraw/zinc/67/92/67/806679267.db2.gz	MXMCBYVJVHHBQO-DZVNLGKHSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)CC1(C)C	ZINC000974585943	799874961	/nfs/dbraw/zinc/87/49/61/799874961.db2.gz	AQAILINILWHRKZ-IXDOHACOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cccc(C#N)c3)C2)C1	ZINC001026852324	800002669	/nfs/dbraw/zinc/00/26/69/800002669.db2.gz	WBPVIDQJJVOSJN-FHLIZLRMSA-N	1	0	354.454	1.411	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ncnn2C(C)C)C1	ZINC001026849961	800016705	/nfs/dbraw/zinc/01/67/05/800016705.db2.gz	KIUZLCANSKSUDL-BBWFWOEESA-N	1	0	361.490	1.778	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]32)nc1	ZINC000974668109	800022393	/nfs/dbraw/zinc/02/23/93/800022393.db2.gz	JDJURXVRMAUMAE-BHIYHBOVSA-N	1	0	368.481	1.322	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC001026894521	800129359	/nfs/dbraw/zinc/12/93/59/800129359.db2.gz	HVIDXMDYMKURBL-YEWWUXTCSA-N	1	0	361.417	1.439	20	30		FDEDRO
C=CC[C@]1(C(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)CCC[NH2+]1	ZINC000662520132	806820253	/nfs/dbraw/zinc/82/02/53/806820253.db2.gz	DOIQQBBENWABAS-OAQYLSRUSA-N	1	0	371.481	1.701	20	30		FDEDRO
N#Cc1ccccc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1	ZINC001026969257	800348871	/nfs/dbraw/zinc/34/88/71/800348871.db2.gz	PRVMNURWJLYGPQ-MVJPYGJCSA-N	1	0	369.465	1.548	20	30		FDEDRO
C[NH+](C)Cc1ccoc1C(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21	ZINC000974936743	800592877	/nfs/dbraw/zinc/59/28/77/800592877.db2.gz	HEJZWDUFABPTGL-NVXWUHKLSA-N	1	0	355.438	1.428	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@H]21	ZINC000974971510	800621729	/nfs/dbraw/zinc/62/17/29/800621729.db2.gz	VXKVPRNREMPZJZ-UMVBOHGHSA-N	1	0	360.483	1.642	20	30		FDEDRO
N#Cc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)c1	ZINC001027068314	800657019	/nfs/dbraw/zinc/65/70/19/800657019.db2.gz	QGTKIBNFGGDBHB-KSZLIROESA-N	1	0	354.454	1.398	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C4(CF)CC4)[C@@H]3C2)CC1	ZINC000975079405	800842815	/nfs/dbraw/zinc/84/28/15/800842815.db2.gz	UBSQPKYXDOVPLP-IAGOWNOFSA-N	1	0	361.461	1.141	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nc(C3CCC3)no2)C1	ZINC001027076500	800892255	/nfs/dbraw/zinc/89/22/55/800892255.db2.gz	PDQBEOQGXKSVBO-BMFZPTHFSA-N	1	0	360.458	1.866	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nn(CC)nc2C)C1	ZINC001027116883	801012738	/nfs/dbraw/zinc/01/27/38/801012738.db2.gz	LFFXWPMSRSXIDE-RYRKJORJSA-N	1	0	361.490	1.526	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000975219052	801017739	/nfs/dbraw/zinc/01/77/39/801017739.db2.gz	ICCKVQCECMVJMC-QILLFSRXSA-N	1	0	371.485	1.585	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CCN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@@H]32)cn1	ZINC000975620034	801676791	/nfs/dbraw/zinc/67/67/91/801676791.db2.gz	JDDZAXNTJASKRH-SNRMKQJTSA-N	1	0	366.465	1.220	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(NC(=O)N2CCOCC2)CC1	ZINC000660866837	801914661	/nfs/dbraw/zinc/91/46/61/801914661.db2.gz	LUUHFDLXNKYQLJ-INIZCTEOSA-N	1	0	364.490	1.082	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(NC(=O)N2CCOCC2)CC1	ZINC000660868032	801920600	/nfs/dbraw/zinc/92/06/00/801920600.db2.gz	VTKQRPNNDGPPOR-INIZCTEOSA-N	1	0	366.506	1.306	20	30		FDEDRO
C=CC[C@@]1(C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)CCC[NH2+]1	ZINC000662690987	806967735	/nfs/dbraw/zinc/96/77/35/806967735.db2.gz	FHCPXXQXIGSSOE-FQEVSTJZSA-N	1	0	356.470	1.711	20	30		FDEDRO
C=CC[C@]1(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CCC[NH2+]1	ZINC000662700494	806971702	/nfs/dbraw/zinc/97/17/02/806971702.db2.gz	QQKFCGJZUJEQMH-HXUWFJFHSA-N	1	0	356.470	1.150	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H]3CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]32)c1	ZINC000975819391	802512930	/nfs/dbraw/zinc/51/29/30/802512930.db2.gz	BKGHCRPHBUOFAF-WDSOQIARSA-N	1	0	368.481	1.466	20	30		FDEDRO
C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000661119758	802748682	/nfs/dbraw/zinc/74/86/82/802748682.db2.gz	XMECVANPVKMCIO-XJKSGUPXSA-N	1	0	351.472	1.997	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccn(C)c1C)C2	ZINC001112524870	802836495	/nfs/dbraw/zinc/83/64/95/802836495.db2.gz	MKKICKDGCFJOEP-JXFKEZNVSA-N	1	0	358.486	1.468	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC(C)(F)F)C2	ZINC001112524949	802845473	/nfs/dbraw/zinc/84/54/73/802845473.db2.gz	QFZGBOWUEWIZDJ-DEYYWGMASA-N	1	0	357.445	1.941	20	30		FDEDRO
C=CCN(CC(=O)N1CCN(Cc2ccsc2)CC1)[C@@H](C)COC	ZINC000661241713	803086099	/nfs/dbraw/zinc/08/60/99/803086099.db2.gz	DTXVEAJQITZRHF-INIZCTEOSA-N	1	0	351.516	1.915	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C	ZINC000976405550	803323453	/nfs/dbraw/zinc/32/34/53/803323453.db2.gz	JOINHBWPDYLQMD-BRWVUGGUSA-N	1	0	358.486	1.926	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCC[N@H+]2C)nc1	ZINC000976411072	803329845	/nfs/dbraw/zinc/32/98/45/803329845.db2.gz	FCFQQUFCJKOPPZ-JFIYKMOQSA-N	1	0	354.454	1.314	20	30		FDEDRO
C=CC[C@@H]1CCCN(CC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)C1	ZINC000661376640	803402206	/nfs/dbraw/zinc/40/22/06/803402206.db2.gz	FMKGXARDNYLUIL-IAGOWNOFSA-N	1	0	356.532	1.946	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(C#N)c2)C1	ZINC000976555081	803516893	/nfs/dbraw/zinc/51/68/93/803516893.db2.gz	FCDORRGVXDAPFA-IAOVAPTHSA-N	1	0	357.458	1.385	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1	ZINC000976692671	803722720	/nfs/dbraw/zinc/72/27/20/803722720.db2.gz	QYYHULSJAHGMST-GVDBMIGSSA-N	1	0	358.486	1.783	20	30		FDEDRO
N#C[C@]1(C(=O)N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)CC2CCC1CC2	ZINC000909365054	803954439	/nfs/dbraw/zinc/95/44/39/803954439.db2.gz	FKUHYPJASYEOHC-AEBIURJHSA-N	1	0	358.486	1.519	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1c1ccccc1	ZINC001211669136	803971696	/nfs/dbraw/zinc/97/16/96/803971696.db2.gz	KHGSXTKKLVAOML-UEXGIBASSA-N	1	0	371.481	1.442	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1	ZINC000423185633	814983046	/nfs/dbraw/zinc/98/30/46/814983046.db2.gz	JVTOOCRYERKCLR-MSOLQXFVSA-N	1	0	352.438	1.141	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1	ZINC000423218867	815006772	/nfs/dbraw/zinc/00/67/72/815006772.db2.gz	VGZRZCKRNBXGHY-CQSZACIVSA-N	1	0	374.441	1.695	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@@H]1C	ZINC000977195954	804528568	/nfs/dbraw/zinc/52/85/68/804528568.db2.gz	JQOCNWZEVUQRCT-ZRTWPRGNSA-N	1	0	361.486	1.025	20	30		FDEDRO
CC(C)(C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1)C(F)F	ZINC001112526495	804803193	/nfs/dbraw/zinc/80/31/93/804803193.db2.gz	KTXMQDRHDSLWPB-SJCJKPOMSA-N	1	0	356.417	1.136	20	30		FDEDRO
CCCC1(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(=O)NCC#N)C2)CC1	ZINC001211673679	804858581	/nfs/dbraw/zinc/85/85/81/804858581.db2.gz	VBMVPHBEZYVTOB-ZWKOTPCHSA-N	1	0	368.481	1.791	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C)CC1	ZINC000977954228	805076780	/nfs/dbraw/zinc/07/67/80/805076780.db2.gz	ZVAYPFXOSXGNKY-SQNIBIBYSA-N	1	0	363.502	1.369	20	30		FDEDRO
C[N@H+](Cc1ccc(OCC#N)cc1)[C@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001027579425	805109813	/nfs/dbraw/zinc/10/98/13/805109813.db2.gz	IZUDZHPULULPNM-JQHSSLGASA-N	1	0	370.453	1.133	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)CC1CC[NH+](C)CC1	ZINC000978420279	805448236	/nfs/dbraw/zinc/44/82/36/805448236.db2.gz	IXDJTJDIKMXKNN-KSZLIROESA-N	1	0	363.502	1.369	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1nnc3c1CCCC3)C2	ZINC001112531478	807010058	/nfs/dbraw/zinc/01/00/58/807010058.db2.gz	ZOCHEZHWDVGQFG-JXFKEZNVSA-N	1	0	355.486	1.399	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCO)CC[C@@H]1c1ccccc1	ZINC001087429835	807017134	/nfs/dbraw/zinc/01/71/34/807017134.db2.gz	GJIWQNRUOZSEIG-NJYVYQBISA-N	1	0	369.509	1.441	20	30		FDEDRO
N=C(Nc1ccccc1COC(=O)ON1C(=O)CCC1=O)SCC[NH3+]	ZINC001167913865	807029649	/nfs/dbraw/zinc/02/96/49/807029649.db2.gz	GDJLGPYPESTDNL-UHFFFAOYSA-N	1	0	366.399	1.442	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1cccc(OC)c1	ZINC001167914138	807031652	/nfs/dbraw/zinc/03/16/52/807031652.db2.gz	YNWLPOCKUZDCPH-JCGIZDLHSA-N	1	0	357.454	1.033	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1c1ccccc1	ZINC001211696584	807205728	/nfs/dbraw/zinc/20/57/28/807205728.db2.gz	KTSLSYSPVLUQOD-ZWKOTPCHSA-N	1	0	352.438	1.186	20	30		FDEDRO
C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)C1	ZINC000423530602	815102629	/nfs/dbraw/zinc/10/26/29/815102629.db2.gz	RKLHILWTXRUSNX-KURKYZTESA-N	1	0	354.454	1.495	20	30		FDEDRO
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)N1CCC(C[NH3+])CC1	ZINC000423520716	815110646	/nfs/dbraw/zinc/11/06/46/815110646.db2.gz	FQMDUZCXNISQDC-ZWKOTPCHSA-N	1	0	354.454	1.482	20	30		FDEDRO
CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	ZINC000423523815	815112669	/nfs/dbraw/zinc/11/26/69/815112669.db2.gz	ISMLLXMJZBYUGU-IAGOWNOFSA-N	1	0	356.470	1.728	20	30		FDEDRO
CC(C)C[C@@H]1C[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1	ZINC001112532505	807378352	/nfs/dbraw/zinc/37/83/52/807378352.db2.gz	GIUDIVKVTHRMMQ-YZLZLFLDSA-N	1	0	360.502	1.527	20	30		FDEDRO
C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1	ZINC000423527464	815114273	/nfs/dbraw/zinc/11/42/73/815114273.db2.gz	MNDBHNLNSTVEOR-YTQUADARSA-N	1	0	368.481	1.743	20	30		FDEDRO
N#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)[nH]1	ZINC000981175321	807649333	/nfs/dbraw/zinc/64/93/33/807649333.db2.gz	KLCHASGMGBPPLJ-LSDHHAIUSA-N	1	0	369.469	1.529	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](CCn2nc(C)nc2C)CC1	ZINC000981185910	807676535	/nfs/dbraw/zinc/67/65/35/807676535.db2.gz	JPRAYVQEUVRIBE-MSOLQXFVSA-N	1	0	361.490	1.410	20	30		FDEDRO
CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(C)CCOCc1ccc(C#N)cc1	ZINC000423587961	815153073	/nfs/dbraw/zinc/15/30/73/815153073.db2.gz	DHNSKTHGJYCYHN-GOSISDBHSA-N	1	0	374.485	1.365	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@]2(CNC(=O)C2)C1	ZINC000278970172	807942745	/nfs/dbraw/zinc/94/27/45/807942745.db2.gz	XUNMBOBNDFCWMP-LIRRHRJNSA-N	1	0	358.417	1.673	20	30		FDEDRO
CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1	ZINC000423619652	815163104	/nfs/dbraw/zinc/16/31/04/815163104.db2.gz	INRFVISHAKTLKG-FGTMMUONSA-N	1	0	356.470	1.584	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)cn1	ZINC000981650361	808275758	/nfs/dbraw/zinc/27/57/58/808275758.db2.gz	DLZILMWJPSUCOQ-HNAYVOBHSA-N	1	0	368.481	1.419	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)cn1	ZINC000981844636	808610292	/nfs/dbraw/zinc/61/02/92/808610292.db2.gz	TXLVFHAYXSAVRB-MAUKXSAKSA-N	1	0	354.454	1.173	20	30		FDEDRO
C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC001028190773	808944820	/nfs/dbraw/zinc/94/48/20/808944820.db2.gz	AIRLLDRIYBLTQI-JENIJYKNSA-N	1	0	354.454	1.205	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)C2)C[C@H]1c1ccccc1	ZINC001211705709	809055774	/nfs/dbraw/zinc/05/57/74/809055774.db2.gz	OZXAOJLWGJORHV-YTQUADARSA-N	1	0	353.466	1.462	20	30		FDEDRO
C[C@@H]([NH3+])[C@H](C)NC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N	ZINC000418692003	809135916	/nfs/dbraw/zinc/13/59/16/809135916.db2.gz	FGSHPRHCXATUMC-NEPJUHHUSA-N	1	0	373.436	1.433	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2OC)C[C@H]1c1ccccc1	ZINC001211715530	809141850	/nfs/dbraw/zinc/14/18/50/809141850.db2.gz	BBSWBTZGRPJXBP-ZWKOTPCHSA-N	1	0	352.438	1.650	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1c1ccccc1	ZINC001211715835	809145967	/nfs/dbraw/zinc/14/59/67/809145967.db2.gz	SHGLNNAKBYXFNC-DLBZAZTESA-N	1	0	365.499	1.038	20	30		FDEDRO
C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCO[C@H]3c3nccn3C)C[C@@]2(C)C1	ZINC000982298818	809146824	/nfs/dbraw/zinc/14/68/24/809146824.db2.gz	NNTMMEZNSXCXDM-DGQTTZFYSA-N	1	0	370.497	1.691	20	30		FDEDRO
CC[C@@H]([NH3+])CNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N	ZINC000418726565	809167239	/nfs/dbraw/zinc/16/72/39/809167239.db2.gz	LXZUPPKJUCIGOU-CYBMUJFWSA-N	1	0	373.436	1.434	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1	ZINC000418825858	809247785	/nfs/dbraw/zinc/24/77/85/809247785.db2.gz	KCFPINKDRRYKQG-QZTJIDSGSA-N	1	0	359.470	1.461	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1	ZINC000419061442	809503981	/nfs/dbraw/zinc/50/39/81/809503981.db2.gz	UYFHIULYIOVKHF-WJFTUGDTSA-N	1	0	355.482	1.794	20	30		FDEDRO
CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@@H]([NH3+])CCCC#N	ZINC000424078103	815305190	/nfs/dbraw/zinc/30/51/90/815305190.db2.gz	PPTIPOCHRRSZIK-AWEZNQCLSA-N	1	0	360.414	1.266	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)NC(=O)NC)C[C@H]1c1ccccc1	ZINC001211730377	809675556	/nfs/dbraw/zinc/67/55/56/809675556.db2.gz	ZHBNSKZARGQCTK-DLBZAZTESA-N	1	0	358.486	1.854	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCN(C(C)=O)C2)C1	ZINC001087442406	809688673	/nfs/dbraw/zinc/68/86/73/809688673.db2.gz	HXHVZRASMAEUEC-NJDAHSKKSA-N	1	0	367.493	1.852	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)nn1	ZINC000424158885	815320864	/nfs/dbraw/zinc/32/08/64/815320864.db2.gz	UNWVUNMBYQOCTN-IAGOWNOFSA-N	1	0	355.442	1.738	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1	ZINC000410908751	809955440	/nfs/dbraw/zinc/95/54/40/809955440.db2.gz	JCUPAJDLYDDABE-SFHVURJKSA-N	1	0	365.518	1.618	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)C[C@H]1c1ccccc1	ZINC001211743240	809960247	/nfs/dbraw/zinc/96/02/47/809960247.db2.gz	AHNWMNXEVQTPIJ-OKZBNKHCSA-N	1	0	369.465	1.590	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CC[C@@]2(C)CCC(=O)N2)C[C@H]1c1ccccc1	ZINC001211746080	809982875	/nfs/dbraw/zinc/98/28/75/809982875.db2.gz	PZMLKBFMYABARM-WAOWUJCRSA-N	1	0	353.466	1.653	20	30		FDEDRO
C#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CN2CCCC2=O)C1	ZINC001087452921	809989704	/nfs/dbraw/zinc/98/97/04/809989704.db2.gz	RMTJUQIHSYZKNI-QZTJIDSGSA-N	1	0	357.429	1.355	20	30		FDEDRO
C=CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2COC(=O)N2)C1	ZINC001087454998	810054472	/nfs/dbraw/zinc/05/44/72/810054472.db2.gz	VLIISPFPEZAKJV-BRWVUGGUSA-N	1	0	361.417	1.784	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3CCC)C2)CC1	ZINC000983255280	815339229	/nfs/dbraw/zinc/33/92/29/815339229.db2.gz	YWOMNQOGOKSBDF-QXAKKESOSA-N	1	0	359.514	1.733	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(C)cc1F)C2	ZINC001112534879	810112939	/nfs/dbraw/zinc/11/29/39/810112939.db2.gz	IKILTRDETJENGI-KKSFZXQISA-N	1	0	371.456	1.715	20	30		FDEDRO
C[NH+]1CCC(C(=O)N[C@@H]2CN(CC#N)CC[C@@H]2c2cccc(F)c2)CC1	ZINC001087457750	810206630	/nfs/dbraw/zinc/20/66/30/810206630.db2.gz	PXOSSKLYXITZRL-RTBURBONSA-N	1	0	358.461	1.965	20	30		FDEDRO
C[C@@H]1COCCN1CCNC(=O)c1cnn(CCC#N)c1-c1ccccc1	ZINC000429983037	810533044	/nfs/dbraw/zinc/53/30/44/810533044.db2.gz	AVIYQRLFJDLFPP-MRXNPFEDSA-N	1	0	367.453	1.914	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2snnc2C)C1	ZINC001028549175	810616874	/nfs/dbraw/zinc/61/68/74/810616874.db2.gz	NHWAOCISPYEBIC-ZNMIVQPWSA-N	1	0	350.488	1.766	20	30		FDEDRO
CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CCC(C)(C#N)CC2)CC1	ZINC000505019500	815390601	/nfs/dbraw/zinc/39/06/01/815390601.db2.gz	VHPZUTBIOGSOOY-UHFFFAOYSA-N	1	0	372.473	1.631	20	30		FDEDRO
C=CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cn2cnnn2)C1	ZINC001087462327	810809529	/nfs/dbraw/zinc/80/95/29/810809529.db2.gz	CTMQOUAULDTNPX-IAGOWNOFSA-N	1	0	358.421	1.363	20	30		FDEDRO
C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1	ZINC000894186789	810859610	/nfs/dbraw/zinc/85/96/10/810859610.db2.gz	UTRYFUHWQVUJEY-XQLPTFJDSA-N	1	0	363.462	1.091	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](O)C4CCCCC4)C[C@H]32)c1	ZINC001075658473	810907949	/nfs/dbraw/zinc/90/79/49/810907949.db2.gz	DSGZKCFJENLURR-QXAKKESOSA-N	1	0	356.470	1.974	20	30		FDEDRO
C[C@@H](O)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1	ZINC001087463839	811188177	/nfs/dbraw/zinc/18/81/77/811188177.db2.gz	CEWZVGCCNGTZDJ-OMWUSAIZSA-N	1	0	370.428	1.994	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C2CN(C(C)=O)C2)C1	ZINC001087464499	811205623	/nfs/dbraw/zinc/20/56/23/811205623.db2.gz	MJRYJPHSCFUQID-WOJBJXKFSA-N	1	0	371.456	1.601	20	30		FDEDRO
C[NH+]=C(NCc1cn2ccccc2n1)N1CCO[C@H](c2cnn(C)c2)C1	ZINC000261810981	811324098	/nfs/dbraw/zinc/32/40/98/811324098.db2.gz	SOKNEFYQFWGHTQ-INIZCTEOSA-N	1	0	353.430	1.217	20	30		FDEDRO
Cc1nnc(CNC(N[C@@H]2CCc3nnc(C(C)C)n3C2)=[NH+]C2CC2)n1C	ZINC000261937845	811347924	/nfs/dbraw/zinc/34/79/24/811347924.db2.gz	CXAXFGXFLFPMJL-CQSZACIVSA-N	1	0	371.493	1.051	20	30		FDEDRO
CCC(=O)N1CC[C@H](NC(NCc2nc(-c3ccccc3)c[nH]2)=[NH+]C)C1	ZINC000261948279	811351221	/nfs/dbraw/zinc/35/12/21/811351221.db2.gz	GOFWZVDYYKFFCR-HNNXBMFYSA-N	1	0	354.458	1.753	20	30		FDEDRO
CCc1cccc(NC(=O)CNC(=[NH2+])N2CCN(c3ncccn3)CC2)c1	ZINC000262007725	811365674	/nfs/dbraw/zinc/36/56/74/811365674.db2.gz	SCXXQMKDEWALSU-UHFFFAOYSA-N	1	0	367.457	1.114	20	30		FDEDRO
COC(=O)CN(CC#N)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F	ZINC000513380522	811434800	/nfs/dbraw/zinc/43/48/00/811434800.db2.gz	IYVSFYGDFONQBK-HNNXBMFYSA-N	1	0	365.380	1.669	20	30		FDEDRO
[NH2+]=C(NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)N1CCOCC1	ZINC000262370967	811452111	/nfs/dbraw/zinc/45/21/11/811452111.db2.gz	LNUFZOPYGKTCMJ-UHFFFAOYSA-N	1	0	369.347	1.988	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N[C@@H]1CCc2ccccc2C1	ZINC000262525019	811484049	/nfs/dbraw/zinc/48/40/49/811484049.db2.gz	RLFLQQKIRFQTFG-MAUKXSAKSA-N	1	0	352.486	1.871	20	30		FDEDRO
N#Cc1ccc([C@H](NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C(N)=O)cc1	ZINC000513448029	811523635	/nfs/dbraw/zinc/52/36/35/811523635.db2.gz	PTIHVFVEIYJSLE-UXHICEINSA-N	1	0	364.449	1.441	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000280313157	811771413	/nfs/dbraw/zinc/77/14/13/811771413.db2.gz	XERSSHQGOAISHA-OAHLLOKOSA-N	1	0	367.449	1.996	20	30		FDEDRO
CC1CC[NH+](CCCNC(=O)N2CCC(n3cnc(C#N)n3)CC2)CC1	ZINC000366382254	811936483	/nfs/dbraw/zinc/93/64/83/811936483.db2.gz	ISGBNHVOGFPUGK-UHFFFAOYSA-N	1	0	359.478	1.618	20	30		FDEDRO
N#CCC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1)c1ccccc1	ZINC000419477246	811970306	/nfs/dbraw/zinc/97/03/06/811970306.db2.gz	RHNYMSBCHANNMH-MSOLQXFVSA-N	1	0	350.422	1.964	20	30		FDEDRO
N#CCC[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1ccccc1	ZINC000419467642	811977539	/nfs/dbraw/zinc/97/75/39/811977539.db2.gz	ABRGELVFLWPVJY-FJIDUMEYSA-N	1	0	354.454	1.733	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1	ZINC000419467550	811978194	/nfs/dbraw/zinc/97/81/94/811978194.db2.gz	SLMVZOGPGCFWLV-SFHVURJKSA-N	1	0	370.453	1.044	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C)n1	ZINC000505336869	815489434	/nfs/dbraw/zinc/48/94/34/815489434.db2.gz	XOJNOIFIWFQKHL-UHFFFAOYSA-N	1	0	362.478	1.851	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)C(=O)N(CCC#N)c1ccc(F)cc1	ZINC000501143824	812039699	/nfs/dbraw/zinc/03/96/99/812039699.db2.gz	POEMDRVBWMUPEW-DNVCBOLYSA-N	1	0	374.460	1.914	20	30		FDEDRO
C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1	ZINC000419652221	812060537	/nfs/dbraw/zinc/06/05/37/812060537.db2.gz	VIOQOBTXNPVFLS-AWEZNQCLSA-N	1	0	350.422	1.647	20	30		FDEDRO
N#Cc1cccc(CCNC(=O)C(=O)NCC[NH2+]C2CCCCCC2)c1	ZINC000419704612	812095928	/nfs/dbraw/zinc/09/59/28/812095928.db2.gz	HDTRDLKFVRWLLH-UHFFFAOYSA-N	1	0	356.470	1.646	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1	ZINC000419882648	812274938	/nfs/dbraw/zinc/27/49/38/812274938.db2.gz	INVHLUIULZUGTD-WBVHZDCISA-N	1	0	359.470	1.714	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+]	ZINC000420035459	813404865	/nfs/dbraw/zinc/40/48/65/813404865.db2.gz	IFDFEZVMDKRUHG-MHORFTMASA-N	1	0	354.454	1.528	20	30		FDEDRO
C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000420102103	813457664	/nfs/dbraw/zinc/45/76/64/813457664.db2.gz	NEKUKGDKVNHPHS-RDTXWAMCSA-N	1	0	370.453	1.042	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C	ZINC000420093025	813468881	/nfs/dbraw/zinc/46/88/81/813468881.db2.gz	CNFOZZHEWKNYAZ-XJKSGUPXSA-N	1	0	360.414	1.224	20	30		FDEDRO
CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000420130412	813491143	/nfs/dbraw/zinc/49/11/43/813491143.db2.gz	WADBVBAOGWNZGG-INIZCTEOSA-N	1	0	372.469	1.562	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@@H]1CCC[NH2+][C@H]1C	ZINC000420144499	813505076	/nfs/dbraw/zinc/50/50/76/813505076.db2.gz	LMIGQXHGLWYPTE-XJKSGUPXSA-N	1	0	360.414	1.366	20	30		FDEDRO
C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1	ZINC000420176455	813514683	/nfs/dbraw/zinc/51/46/83/813514683.db2.gz	ZTJPPEUMXRQWHK-RDTXWAMCSA-N	1	0	352.438	1.431	20	30		FDEDRO
CC(C)(CC#N)CNC(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000420652784	813765272	/nfs/dbraw/zinc/76/52/72/813765272.db2.gz	MXSWOKXFEGHTKK-UHFFFAOYSA-N	1	0	356.470	1.823	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCO[C@@H]2CC2(F)F)C1	ZINC001104182607	813791036	/nfs/dbraw/zinc/79/10/36/813791036.db2.gz	HFASDAKBLYYZLR-BZUAXINKSA-N	1	0	358.429	1.525	20	30		FDEDRO
CON1CCC(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1	ZINC000420876219	813842525	/nfs/dbraw/zinc/84/25/25/813842525.db2.gz	MSEKKFHKVCOSCR-UHFFFAOYSA-N	1	0	371.485	1.801	20	30		FDEDRO
CC[C@H](CNC(=O)C(=O)NCC(C)(C)CC#N)[N@@H+]1CCc2ccccc2C1	ZINC000421519485	814179143	/nfs/dbraw/zinc/17/91/43/814179143.db2.gz	WMMKPQDJJBMMPG-GOSISDBHSA-N	1	0	370.497	1.996	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nc1	ZINC000983050647	814236857	/nfs/dbraw/zinc/23/68/57/814236857.db2.gz	IPZBDVTXCLUOFN-JENIJYKNSA-N	1	0	368.481	1.372	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cnc4ccc(C#N)cn34)C2=O)cc1	ZINC000367041009	814265823	/nfs/dbraw/zinc/26/58/23/814265823.db2.gz	PZMNGAJYHYLPGU-LJQANCHMSA-N	1	0	370.416	1.968	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@H](C)C[C@H](CO)C1)C(C)C	ZINC000421741366	814288799	/nfs/dbraw/zinc/28/87/99/814288799.db2.gz	OLWUMACPTPBKKR-FGTMMUONSA-N	1	0	365.518	1.278	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)[C@@H]2C1	ZINC000272311112	814644690	/nfs/dbraw/zinc/64/46/90/814644690.db2.gz	IUMMWJRIYQITIC-RHSMWYFYSA-N	1	0	354.454	1.979	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](OCC)C1	ZINC000983131793	814800420	/nfs/dbraw/zinc/80/04/20/814800420.db2.gz	AEUYGKCPZCJNTD-BRWVUGGUSA-N	1	0	365.518	1.520	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1	ZINC001167951050	814888674	/nfs/dbraw/zinc/88/86/74/814888674.db2.gz	ZNTMVFHMIAHCGS-XOKHGSTOSA-N	1	0	361.873	1.677	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]Cc1nnnn1C(C)(C)C	ZINC001167956581	815780586	/nfs/dbraw/zinc/78/05/86/815780586.db2.gz	DAJNEJTWJBYONX-HOCLYGCPSA-N	1	0	364.494	1.395	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CC[C@@H](c3ccc(OC)c(F)c3)[C@@H]([NH3+])C2)nn1	ZINC000425261704	815861724	/nfs/dbraw/zinc/86/17/24/815861724.db2.gz	ZBJMZAXPCIWIBV-HOCLYGCPSA-N	1	0	373.432	1.959	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)C[C@@H](CC#N)c3ccccc3)CC2)C1=O	ZINC000425311355	815970115	/nfs/dbraw/zinc/97/01/15/815970115.db2.gz	PENGMMORCNXRMX-MJGOQNOKSA-N	1	0	368.481	1.885	20	30		FDEDRO
COc1ccc2c(c1)OC[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)C2	ZINC000515467250	816277763	/nfs/dbraw/zinc/27/77/63/816277763.db2.gz	VKFPMRYQMDQFHB-IAGOWNOFSA-N	1	0	354.406	1.900	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCn2nc(C)cc2C)C1	ZINC001028861376	816293056	/nfs/dbraw/zinc/29/30/56/816293056.db2.gz	RTENNXJBRRLDNE-FHWLQOOXSA-N	1	0	360.502	1.919	20	30		FDEDRO
COC(=O)c1ccc(N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c(C#N)n1	ZINC000515670617	816365453	/nfs/dbraw/zinc/36/54/53/816365453.db2.gz	ROYSZPMBPOWUNW-OAHLLOKOSA-N	1	0	357.458	1.346	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1C(F)(F)F	ZINC001112136678	816412668	/nfs/dbraw/zinc/41/26/68/816412668.db2.gz	ABRCVNDKWZEQIX-VXGBXAGGSA-N	1	0	359.348	1.937	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2(CCF)CC2)C[C@H]1C(F)(F)F	ZINC001112136767	816450662	/nfs/dbraw/zinc/45/06/62/816450662.db2.gz	DMZYZZNZNYPXQX-CHWSQXEVSA-N	1	0	350.356	1.755	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1	ZINC000425565727	816543697	/nfs/dbraw/zinc/54/36/97/816543697.db2.gz	OTWOFZMZOKPPEQ-FSGLHJGXSA-N	1	0	362.518	1.530	20	30		FDEDRO
Cc1nnc(C[NH+]=C(NCc2cccs2)N2CC[C@]3(CCOC3)C2)n1C	ZINC000261938916	816860591	/nfs/dbraw/zinc/86/05/91/816860591.db2.gz	DCLXLRLGICDFJD-SFHVURJKSA-N	1	0	374.514	1.943	20	30		FDEDRO
Cn1nccc1CC(=O)N1CC[C@H]2CN(Cc3ccc(F)c(C#N)c3)C[C@H]21	ZINC001075737604	816998562	/nfs/dbraw/zinc/99/85/62/816998562.db2.gz	QJXQTJRAXWUTTD-HNAYVOBHSA-N	1	0	367.428	1.706	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1	ZINC000425872412	817275341	/nfs/dbraw/zinc/27/53/41/817275341.db2.gz	YSRROFODFILNHP-OTWHNJEPSA-N	1	0	371.481	1.647	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000425891191	817314035	/nfs/dbraw/zinc/31/40/35/817314035.db2.gz	SRLTUCFEQGLBEF-FHWLQOOXSA-N	1	0	371.481	1.475	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1	ZINC000425891392	817329981	/nfs/dbraw/zinc/32/99/81/817329981.db2.gz	PAKBJPJIFUMHKZ-BVBHFADKSA-N	1	0	371.481	1.473	20	30		FDEDRO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000425896891	817334340	/nfs/dbraw/zinc/33/43/40/817334340.db2.gz	ZGTARTJJHANWBX-QWQRMKEZSA-N	1	0	354.454	1.677	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1	ZINC000506176289	817461845	/nfs/dbraw/zinc/46/18/45/817461845.db2.gz	WRZSSEUCJVFEEI-IBGZPJMESA-N	1	0	367.490	1.865	20	30		FDEDRO
CC[C@H]1C[N@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCCO1	ZINC000517833989	817604298	/nfs/dbraw/zinc/60/42/98/817604298.db2.gz	GIIIXLVVSUXXIV-HNNXBMFYSA-N	1	0	361.446	1.004	20	30		FDEDRO
Cc1ccc(NC(=O)C(=O)N[C@H](C)CC#N)cc1NC(=O)CC[NH+](C)C	ZINC000438870089	817780197	/nfs/dbraw/zinc/78/01/97/817780197.db2.gz	KGCSOHLCPOMDQT-CYBMUJFWSA-N	1	0	359.430	1.242	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1	ZINC000518394357	817863864	/nfs/dbraw/zinc/86/38/64/817863864.db2.gz	RPFYGLRBQWKZFU-KRWDZBQOSA-N	1	0	370.453	1.519	20	30		FDEDRO
C[C@@H]1CC[N@H+](CCNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000894422889	818038513	/nfs/dbraw/zinc/03/85/13/818038513.db2.gz	OEUDMNFVRCDSOV-CRAIPNDOSA-N	1	0	369.469	1.300	20	30		FDEDRO
CCOC(=O)Cn1cc(C[NH+]2CCC(C)(C#N)CC2)c(-c2cnn(C)c2)n1	ZINC000894430740	818046407	/nfs/dbraw/zinc/04/64/07/818046407.db2.gz	BMAOJDNISZISAR-UHFFFAOYSA-N	1	0	370.457	1.972	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CCNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000894421821	818047989	/nfs/dbraw/zinc/04/79/89/818047989.db2.gz	FUVJFAOPCCKJNE-MAUKXSAKSA-N	1	0	369.469	1.443	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)Cn2cnnn2)C1	ZINC001087472479	818162605	/nfs/dbraw/zinc/16/26/05/818162605.db2.gz	HPUVFOGEZDWURR-ROUUACIJSA-N	1	0	370.457	1.232	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)C1	ZINC001087475702	818333040	/nfs/dbraw/zinc/33/30/40/818333040.db2.gz	XUUSJAKFSTZLIJ-IRXDYDNUSA-N	1	0	370.453	1.908	20	30		FDEDRO
C[NH+](C)CCOCCNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000473779365	818335364	/nfs/dbraw/zinc/33/53/64/818335364.db2.gz	DNVSSWQNPWQXPS-UHFFFAOYSA-N	1	0	360.393	1.583	20	30		FDEDRO
COc1ccc([C@@H]2CCN(CC#N)C[C@@H]2NC(=O)C23CC[NH+](CC2)C3)cc1	ZINC001087476244	818372418	/nfs/dbraw/zinc/37/24/18/818372418.db2.gz	BCSMSKVTPVWNNQ-OALUTQOASA-N	1	0	368.481	1.589	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(OC(F)F)n(C)n2)CC1	ZINC000426706058	818514227	/nfs/dbraw/zinc/51/42/27/818514227.db2.gz	YMFUXYYJAYMUMJ-UHFFFAOYSA-N	1	0	371.388	1.117	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CCC[N@@H+]2C)c1	ZINC000983675663	818518363	/nfs/dbraw/zinc/51/83/63/818518363.db2.gz	NFWGKCKXVRQCJD-AYOQOUSVSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]Cc2ncnn2CC)CC1	ZINC001029147057	818935704	/nfs/dbraw/zinc/93/57/04/818935704.db2.gz	YVSMRWBHUXEASF-OIISXLGYSA-N	1	0	361.490	1.606	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@H](C)[NH2+]Cc2nncn2C)CC1	ZINC001029156697	818953760	/nfs/dbraw/zinc/95/37/60/818953760.db2.gz	LQCKJLLJYURWKO-ZVZYQTTQSA-N	1	0	361.490	1.513	20	30		FDEDRO
C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@H]1C[NH3+]	ZINC000520376418	819319467	/nfs/dbraw/zinc/31/94/67/819319467.db2.gz	ZCODQNMPJZQAGQ-ZTFGCOKTSA-N	1	0	369.469	1.285	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C#CC2CC2)[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1	ZINC000983787996	819503186	/nfs/dbraw/zinc/50/31/86/819503186.db2.gz	MEMRYNMENIOKQN-MNEFBYGVSA-N	1	0	357.498	1.485	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C#CC2CC2)[C@H](CNC(=O)[C@H]2CCCc3nc[nH]c32)C1	ZINC000983788537	819511431	/nfs/dbraw/zinc/51/14/31/819511431.db2.gz	RGLOCJDWVONJLU-PVAVHDDUSA-N	1	0	368.481	1.986	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@H]2CCC(=O)NC23CCC3)CC1	ZINC000328692627	819535727	/nfs/dbraw/zinc/53/57/27/819535727.db2.gz	JGLANPLBUDJQCY-CVEARBPZSA-N	1	0	361.490	1.310	20	30		FDEDRO
O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCN(C2CC2)C(=O)C1	ZINC000328705673	819538387	/nfs/dbraw/zinc/53/83/87/819538387.db2.gz	LEHYGOBZGJRHBJ-QGZVFWFLSA-N	1	0	356.470	1.872	20	30		FDEDRO
O=C(Cc1ccccc1)N1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1	ZINC000328889716	819578755	/nfs/dbraw/zinc/57/87/55/819578755.db2.gz	RBFMJKMQVWOLKQ-ROUUACIJSA-N	1	0	370.497	1.818	20	30		FDEDRO
C[C@@H]1CN(CC(=O)Nc2ccc3c(c2)OCO3)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000328949280	819586848	/nfs/dbraw/zinc/58/68/48/819586848.db2.gz	NAIJIGAWTRHPSC-WBVHZDCISA-N	1	0	374.485	1.961	20	30		FDEDRO
O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1cnc2n(c1=O)CCS2	ZINC000328958594	819599778	/nfs/dbraw/zinc/59/97/78/819599778.db2.gz	ONWSDDORROOHBS-UHFFFAOYSA-N	1	0	371.466	1.713	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)CN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000330437217	819614314	/nfs/dbraw/zinc/61/43/14/819614314.db2.gz	ROTGULRDVPTUIZ-FUHIMQAGSA-N	1	0	364.534	1.862	20	30		FDEDRO
CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C	ZINC000330580982	819626263	/nfs/dbraw/zinc/62/62/63/819626263.db2.gz	UCNFKZXCXZMNSW-OFQRWUPVSA-N	1	0	364.494	1.173	20	30		FDEDRO
CC(=O)N[C@H](C)C1CC[NH+]([C@@H](C)C(=O)NC(=O)NC2CCCCC2)CC1	ZINC000331140037	819666637	/nfs/dbraw/zinc/66/66/37/819666637.db2.gz	UAEBJJSRXHUROM-KGLIPLIRSA-N	1	0	366.506	1.974	20	30		FDEDRO
CC(=O)N[C@H](C)C1CC[NH+]([C@H](C)C(=O)NC(=O)NC2CCCCC2)CC1	ZINC000331140038	819666835	/nfs/dbraw/zinc/66/68/35/819666835.db2.gz	UAEBJJSRXHUROM-ZIAGYGMSSA-N	1	0	366.506	1.974	20	30		FDEDRO
C[NH+]=C(NCc1cc2c(cc1OC)C[C@H](C)O2)N[C@@H]1CCN(C2CC2)C1	ZINC000262097724	819762055	/nfs/dbraw/zinc/76/20/55/819762055.db2.gz	ZBRYSEQXZVZXHR-XJKSGUPXSA-N	1	0	358.486	1.920	20	30		FDEDRO
C=CCOc1ccc(CNC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)cc1	ZINC000645387721	819822139	/nfs/dbraw/zinc/82/21/39/819822139.db2.gz	QCNMWRUMNFJQCL-HNNXBMFYSA-N	1	0	360.458	1.513	20	30		FDEDRO
C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1	ZINC001083413629	820023645	/nfs/dbraw/zinc/02/36/45/820023645.db2.gz	XJUFMVHCPOOCKP-SVIJTADQSA-N	1	0	364.449	1.911	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCc4ccc(F)cc43)C[C@@H]2O)[nH]1	ZINC001083414142	820150426	/nfs/dbraw/zinc/15/04/26/820150426.db2.gz	OFUCYEIFSUEVOE-QRVBRYPASA-N	1	0	368.412	1.878	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)[C@@H]2CCC[N@@H+]2C)nc1	ZINC000983946685	820256465	/nfs/dbraw/zinc/25/64/65/820256465.db2.gz	XGYXGAZGACJYMS-AYBZRNKSSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(Cc3cnn(C)c3)CC2)CC1	ZINC000520696018	820382461	/nfs/dbraw/zinc/38/24/61/820382461.db2.gz	RSVRVYXHOAYWOW-UHFFFAOYSA-N	1	0	360.506	1.288	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(c4ccccn4)C[C@H]3C)[C@@H]2C1	ZINC001075802703	820573603	/nfs/dbraw/zinc/57/36/03/820573603.db2.gz	QCFYLJBRRXQGOD-FCGDIQPGSA-N	1	0	352.482	1.710	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCNC(=O)C2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087537262	820997257	/nfs/dbraw/zinc/99/72/57/820997257.db2.gz	CTTOZKCCNLBKEU-GBESFXJTSA-N	1	0	353.466	1.533	20	30		FDEDRO
N#CC1CCC(CNC(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1	ZINC000442172184	821075286	/nfs/dbraw/zinc/07/52/86/821075286.db2.gz	OJPZVIDLMWTCPL-UHFFFAOYSA-N	1	0	365.522	1.006	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2OCCOC)CC1	ZINC000442301604	821136845	/nfs/dbraw/zinc/13/68/45/821136845.db2.gz	FZLGDSLALGXXSN-UHFFFAOYSA-N	1	0	361.442	1.417	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+][C@H]3CCCN(O)C3=O)C[C@H]2C1	ZINC000895158720	821189034	/nfs/dbraw/zinc/18/90/34/821189034.db2.gz	NCPYHAJSIPANKX-AJNGGQMLSA-N	1	0	353.463	1.992	20	30		FDEDRO
COc1cc(CN[C@H]2CCCN(O)C2=O)cc(OC)c1OCC(F)F	ZINC000895160028	821207591	/nfs/dbraw/zinc/20/75/91/821207591.db2.gz	ZNLIIVFWKZLBAR-NSHDSACASA-N	1	0	360.357	1.818	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+][C@@H]2CCCN(O)C2=O)C1	ZINC000895163834	821265009	/nfs/dbraw/zinc/26/50/09/821265009.db2.gz	ZQTRNBHKSLNFBA-JJRVBVJISA-N	1	0	371.437	1.954	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2C[C@@H](C(=O)NCCOC)CC[C@H]2C)CC1	ZINC000521601134	821302602	/nfs/dbraw/zinc/30/26/02/821302602.db2.gz	RYDBEACAPKJMMA-CVEARBPZSA-N	1	0	366.506	1.210	20	30		FDEDRO
COc1ccc(CCC(=O)NC2(C#N)CC[NH+](C)CC2)c(OC)c1OC	ZINC000521602583	821303227	/nfs/dbraw/zinc/30/32/27/821303227.db2.gz	FNEBSTOPGGMCBH-UHFFFAOYSA-N	1	0	361.442	1.749	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2CC)C1=O	ZINC001087548587	821307684	/nfs/dbraw/zinc/30/76/84/821307684.db2.gz	DGYAKXJIIUPGSD-GVDBMIGSSA-N	1	0	355.442	1.256	20	30		FDEDRO
CC(C)[NH2+]CCCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000521843702	821365663	/nfs/dbraw/zinc/36/56/63/821365663.db2.gz	WMHFKZUKYDTDCL-KRWDZBQOSA-N	1	0	357.458	1.741	20	30		FDEDRO
C[C@]1(C[C@H]2CCC[N@@H+]2Cc2cnc3ccc(C#N)cn23)NC(=O)NC1=O	ZINC000521851744	821367885	/nfs/dbraw/zinc/36/78/85/821367885.db2.gz	JHBBVMAEDHISSH-FZKQIMNGSA-N	1	0	352.398	1.159	20	30		FDEDRO
COCCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1cc(C)ncc1C#N	ZINC001126537935	821393505	/nfs/dbraw/zinc/39/35/05/821393505.db2.gz	JUWQJXNFRVFSHR-NVXWUHKLSA-N	1	0	359.474	1.171	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cn1	ZINC000521924142	821397575	/nfs/dbraw/zinc/39/75/75/821397575.db2.gz	GJXGKBCMJWQQCP-KRWDZBQOSA-N	1	0	351.410	1.703	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H](C)[C@H](C(=O)N3CCOCC3)C2)cc1	ZINC000367033260	821412987	/nfs/dbraw/zinc/41/29/87/821412987.db2.gz	KDHBFDZPUQOYPL-JTDSTZFVSA-N	1	0	357.454	1.904	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cnnn2C)CCN1Cc1ccc(C#N)c(F)c1	ZINC001087559365	821467390	/nfs/dbraw/zinc/46/73/90/821467390.db2.gz	GIRXCLYKXJLVLP-JKSUJKDBSA-N	1	0	356.405	1.609	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cn4c(n3)CCC4)[C@H]2CC)C1=O	ZINC001087577218	821571304	/nfs/dbraw/zinc/57/13/04/821571304.db2.gz	CKTPAMZELRBPEL-UAGQMJEPSA-N	1	0	371.485	1.199	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087592681	821637571	/nfs/dbraw/zinc/63/75/71/821637571.db2.gz	UNKJCYDMLVDSNV-OKZBNKHCSA-N	1	0	354.454	1.506	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)cc1	ZINC000445775495	828363657	/nfs/dbraw/zinc/36/36/57/828363657.db2.gz	QUZCFTOULUCBHM-ZWKOTPCHSA-N	1	0	372.469	1.966	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2cn(C)nc2Cl)C[C@H]1C(F)(F)F	ZINC001112166510	821745309	/nfs/dbraw/zinc/74/53/09/821745309.db2.gz	XTEIRERREAKQPY-VXGBXAGGSA-N	1	0	362.783	1.618	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccnc(OC)c2)C[C@H]1C(F)(F)F	ZINC001112166507	821745859	/nfs/dbraw/zinc/74/58/59/821745859.db2.gz	XKLHJKOILPIVFM-ZIAGYGMSSA-N	1	0	355.360	1.635	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cnc[nH]c2=O)CC[N@@H+]1Cc1ccc(C#N)c(F)c1	ZINC001087617014	821761326	/nfs/dbraw/zinc/76/13/26/821761326.db2.gz	BQIKADZEFKBWDI-DLBZAZTESA-N	1	0	369.400	1.976	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087622258	821781573	/nfs/dbraw/zinc/78/15/73/821781573.db2.gz	BWXRMDRQJFPZOM-XWPNQZOQSA-N	1	0	370.497	1.746	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@H]1CC	ZINC001087640289	821909442	/nfs/dbraw/zinc/90/94/42/821909442.db2.gz	UWOSRKKFCHBKHR-QWHCGFSZSA-N	1	0	355.460	1.476	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)[C@H]1CC	ZINC001087668098	821968763	/nfs/dbraw/zinc/96/87/63/821968763.db2.gz	BZFBUFVVUXGQIK-XDNAFOTISA-N	1	0	351.491	1.021	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCNC(=O)CC2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087672980	821983412	/nfs/dbraw/zinc/98/34/12/821983412.db2.gz	QMEPHFNIURBDJG-HSALFYBXSA-N	1	0	367.493	1.924	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000984265761	822059478	/nfs/dbraw/zinc/05/94/78/822059478.db2.gz	QEZLCXJCQRQLST-SOLBZPMBSA-N	1	0	371.485	1.680	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087729623	822261341	/nfs/dbraw/zinc/26/13/41/822261341.db2.gz	MXMYEKPJYCDXQZ-YDZRNGNQSA-N	1	0	368.481	1.929	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](C[C@@H](O)c3ccccc3)[C@@H]2CC)nn1	ZINC001087753945	822368920	/nfs/dbraw/zinc/36/89/20/822368920.db2.gz	GRSWZFSMTLCJCR-QXAKKESOSA-N	1	0	369.469	1.780	20	30		FDEDRO
CCc1cc(N2CCC[C@H](NC(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)C2)ncn1	ZINC000329360088	822371666	/nfs/dbraw/zinc/37/16/66/822371666.db2.gz	BZZCZJLMCOPRMN-JKSUJKDBSA-N	1	0	358.490	1.748	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](CCc3cnn(C)c3)[C@@H]2CC)nn1	ZINC001087756208	822378575	/nfs/dbraw/zinc/37/85/75/822378575.db2.gz	DIPXTXPHBUJSPA-FUHWJXTLSA-N	1	0	371.489	1.413	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)[C@H]1CC	ZINC001087757471	822381433	/nfs/dbraw/zinc/38/14/33/822381433.db2.gz	WOISLXPDFPQEPJ-PNYFIKQUSA-N	1	0	368.481	1.593	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3nncs3)[C@@H]2CC)CC1	ZINC001087840382	822559480	/nfs/dbraw/zinc/55/94/80/822559480.db2.gz	VPQMLRRXUUABJL-JKSUJKDBSA-N	1	0	361.515	1.352	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3nonc3C)[C@@H]2CC)CC1	ZINC001087840464	822559517	/nfs/dbraw/zinc/55/95/17/822559517.db2.gz	YLGRADIRVPMMJR-FUHWJXTLSA-N	1	0	359.474	1.192	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2OCC)nn1	ZINC000648419565	822579816	/nfs/dbraw/zinc/57/98/16/822579816.db2.gz	TUQNJGLVDPJNPD-IEBWSBKVSA-N	1	0	369.469	1.731	20	30		FDEDRO
CNS(=O)(=O)c1ccc(N2CC[NH+](C[C@H](C)CCC#N)CC2)cc1	ZINC000895561184	822652349	/nfs/dbraw/zinc/65/23/49/822652349.db2.gz	OXYYIGFPNKPTCB-OAHLLOKOSA-N	1	0	350.488	1.657	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCn2cncn2)C1	ZINC001088315991	828464915	/nfs/dbraw/zinc/46/49/15/828464915.db2.gz	NLCMTZFUFSXTKL-KSZLIROESA-N	1	0	361.490	1.620	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)c1	ZINC000895594957	822667197	/nfs/dbraw/zinc/66/71/97/822667197.db2.gz	VPHFGSHYVQPDOV-RMMWZPCPSA-N	1	0	366.465	1.998	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(C)o4)C[C@@H]3C2)C1=O	ZINC001087875887	822681446	/nfs/dbraw/zinc/68/14/46/822681446.db2.gz	PVKPXZBNBACUIU-IXDOHACOSA-N	1	0	357.454	1.769	20	30		FDEDRO
C[C@H](CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[NH+](C)C	ZINC000895682722	822701865	/nfs/dbraw/zinc/70/18/65/822701865.db2.gz	WZYTWNSPNJNITR-PPXVZNSRSA-N	1	0	364.490	1.840	20	30		FDEDRO
C[C@@H](CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[NH+](C)C	ZINC000895682723	822701930	/nfs/dbraw/zinc/70/19/30/822701930.db2.gz	WZYTWNSPNJNITR-RQMAVPSVSA-N	1	0	364.490	1.840	20	30		FDEDRO
O=C(c1cc[nH]n1)N1C[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)CC[C@@H]2C1	ZINC001087893903	822741403	/nfs/dbraw/zinc/74/14/03/822741403.db2.gz	ZKPLLYJPOSUESX-SJORKVTESA-N	1	0	352.413	1.994	20	30		FDEDRO
COc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H](C)OC)C[C@@H]3C2)cc1C#N	ZINC001087901191	822772241	/nfs/dbraw/zinc/77/22/41/822772241.db2.gz	ADLKGHJZNZBESB-LESCRADOSA-N	1	0	357.454	1.882	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@@]34CC[N@H+](C3)CCC4)C2=O)cc1	ZINC000897348065	828516678	/nfs/dbraw/zinc/51/66/78/828516678.db2.gz	AFWFVQWTIXDWFD-XLIONFOSSA-N	1	0	352.438	1.656	20	30		FDEDRO
Cc1c(CC(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)cnn1C	ZINC001075869468	828539794	/nfs/dbraw/zinc/53/97/94/828539794.db2.gz	UVZXFPVAPUWSHR-AZUAARDMSA-N	1	0	363.465	1.876	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCCCCCC3)CC[C@@H]2C1	ZINC001087909287	823754318	/nfs/dbraw/zinc/75/43/18/823754318.db2.gz	HINVZOLYTODBOR-KSZLIROESA-N	1	0	360.502	1.719	20	30		FDEDRO
O=C([C@H]1CCC(=O)N1)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001087910006	823760099	/nfs/dbraw/zinc/76/00/99/823760099.db2.gz	IQMOAKSJTJUVQM-CEXWTWQISA-N	1	0	351.450	1.097	20	30		FDEDRO
Cc1c(C(=O)NCc2ccccc2OCC[NH+](C)C)cnn1CCC#N	ZINC000895978929	823883212	/nfs/dbraw/zinc/88/32/12/823883212.db2.gz	QJEDXZBMSVNWOI-UHFFFAOYSA-N	1	0	355.442	1.976	20	30		FDEDRO
Cc1cc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]3C2)n1	ZINC001087925344	823936922	/nfs/dbraw/zinc/93/69/22/823936922.db2.gz	IEEUECQITWNGSD-MSOLQXFVSA-N	1	0	366.469	1.794	20	30		FDEDRO
C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC#N)C(F)(F)F	ZINC000928799788	828593613	/nfs/dbraw/zinc/59/36/13/828593613.db2.gz	GFTZQFDOGWCFQK-QWRGUYRKSA-N	1	0	366.384	1.792	20	30		FDEDRO
Cc1c(C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)cnn1CCC#N	ZINC000896043619	823977021	/nfs/dbraw/zinc/97/70/21/823977021.db2.gz	RALIINJRDFBZNP-UHFFFAOYSA-N	1	0	363.462	1.451	20	30		FDEDRO
COc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]3C2)ccn1	ZINC001087938765	824016998	/nfs/dbraw/zinc/01/69/98/824016998.db2.gz	KGYLTIUUXICKJY-CVEARBPZSA-N	1	0	365.437	1.884	20	30		FDEDRO
N#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccc(CO)cc4)CC[C@@H]3C2)[nH]1	ZINC001087938690	824017639	/nfs/dbraw/zinc/01/76/39/824017639.db2.gz	GWSJAWYCLXZASU-MSOLQXFVSA-N	1	0	364.449	1.973	20	30		FDEDRO
COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]3C2)cn1	ZINC001087938863	824018793	/nfs/dbraw/zinc/01/87/93/824018793.db2.gz	NPNSNPVIECMMSC-CVEARBPZSA-N	1	0	365.437	1.884	20	30		FDEDRO
N#Cc1cc(C(=O)N2C[C@@H]3C[N@@H+](C[C@@H]4CCNC(=O)CC4)CC[C@@H]3C2)c[nH]1	ZINC001087941317	824039864	/nfs/dbraw/zinc/03/98/64/824039864.db2.gz	WIOZIPXQQAHICE-UXLLHSPISA-N	1	0	369.469	1.197	20	30		FDEDRO
C[C@H](CCC#N)C[NH2+]CC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O	ZINC000896203064	824186108	/nfs/dbraw/zinc/18/61/08/824186108.db2.gz	QVIQRMKDVXTXCL-HUUCEWRRSA-N	1	0	373.519	1.940	20	30		FDEDRO
CC(C)CNC(=O)N1CCC[C@H](CC(=O)NC2(C#N)CC[NH+](C)CC2)C1	ZINC000525457084	828621890	/nfs/dbraw/zinc/62/18/90/828621890.db2.gz	SYPUMCAGIDFWEH-MRXNPFEDSA-N	1	0	363.506	1.558	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)C[C@@H]2C1	ZINC001087964531	824218431	/nfs/dbraw/zinc/21/84/31/824218431.db2.gz	ONZVNYSLJZTXMH-PMPSAXMXSA-N	1	0	357.458	1.119	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC000984634418	824249443	/nfs/dbraw/zinc/24/94/43/824249443.db2.gz	MKVQUIFIKZSBQW-ATZDWAIDSA-N	1	0	368.481	1.466	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cncn3C)CC[C@@H]2C1	ZINC001087970455	824310174	/nfs/dbraw/zinc/31/01/74/824310174.db2.gz	YGEAOKJRSINUGM-JFRXWTBNSA-N	1	0	358.486	1.682	20	30		FDEDRO
Cn1ncc(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)c1C#N	ZINC000474784071	824427368	/nfs/dbraw/zinc/42/73/68/824427368.db2.gz	NXWQCZXFVNIRQH-UHFFFAOYSA-N	1	0	352.442	1.234	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)N[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)C1	ZINC000896487390	824439633	/nfs/dbraw/zinc/43/96/33/824439633.db2.gz	ACOBIOVOLWCUPY-JYJNAYRXSA-N	1	0	364.490	1.687	20	30		FDEDRO
CSc1ccc(CNC(=O)N2CCN(C)CC[N@H+](C)CC2)cc1C#N	ZINC000896497172	824458597	/nfs/dbraw/zinc/45/85/97/824458597.db2.gz	ZXFSIPLXASMZRI-UHFFFAOYSA-N	1	0	361.515	1.669	20	30		FDEDRO
C[C@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@@H]1C[N@H+](C)CCN1C	ZINC000896538355	824518564	/nfs/dbraw/zinc/51/85/64/824518564.db2.gz	CZPITWZNSVRRHW-GWCFXTLKSA-N	1	0	355.364	1.336	20	30		FDEDRO
CN1C(=O)N[C@@H]2CN(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CC[C@@H]21	ZINC000329011104	824533663	/nfs/dbraw/zinc/53/36/63/824533663.db2.gz	ZTUGIUDOHXROHS-MSOLQXFVSA-N	1	0	371.485	1.867	20	30		FDEDRO
Cc1noc([C@@H](NC(=O)NC2CC[NH+](C3CC3)CC2)C2CCOCC2)n1	ZINC000329059357	824550035	/nfs/dbraw/zinc/55/00/35/824550035.db2.gz	UHGDQYWYYNJVSX-INIZCTEOSA-N	1	0	363.462	1.976	20	30		FDEDRO
C[C@H](NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)[C@H]1C[N@H+](C)CCN1C	ZINC000896560185	824568645	/nfs/dbraw/zinc/56/86/45/824568645.db2.gz	MSHFRGVQFZEAKK-ZYSHUDEJSA-N	1	0	355.486	1.278	20	30		FDEDRO
Cc1nc(Cn2nnc(NC(=O)N3CC[N@@H+]4CCCC[C@H]4C3)c2C)no1	ZINC000329118223	824602317	/nfs/dbraw/zinc/60/23/17/824602317.db2.gz	JJCKTHKEHWDRPR-ZDUSSCGKSA-N	1	0	360.422	1.042	20	30		FDEDRO
C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)C1	ZINC000329120505	824610439	/nfs/dbraw/zinc/61/04/39/824610439.db2.gz	KFWRZEIWHQKLQU-QXSJWSMHSA-N	1	0	365.522	1.959	20	30		FDEDRO
CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2nnn(Cc3noc(C)n3)c2C)C1	ZINC000329143343	824625184	/nfs/dbraw/zinc/62/51/84/824625184.db2.gz	VOKDULFLZPSDEM-CYBMUJFWSA-N	1	0	362.438	1.288	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1	ZINC000329169297	824639461	/nfs/dbraw/zinc/63/94/61/824639461.db2.gz	JLLIKYOWJHAVDJ-ZZJWQFMZSA-N	1	0	361.534	1.236	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)COc3ccccc3C#N)CC2)C1=O	ZINC000329186774	824653931	/nfs/dbraw/zinc/65/39/31/824653931.db2.gz	PXHFALBZRSLNOJ-MRXNPFEDSA-N	1	0	356.426	1.589	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](C3CCOCC3)C2)CC1	ZINC000329262785	824701745	/nfs/dbraw/zinc/70/17/45/824701745.db2.gz	FDGBSRVKZOETRK-RBUKOAKNSA-N	1	0	362.518	1.427	20	30		FDEDRO
O=C(NCc1noc2c1CCCC2)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000329278849	824709268	/nfs/dbraw/zinc/70/92/68/824709268.db2.gz	LIRPTJYODIGULI-SJORKVTESA-N	1	0	362.474	1.935	20	30		FDEDRO
C#CCSCC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	ZINC000896625234	824723248	/nfs/dbraw/zinc/72/32/48/824723248.db2.gz	YAVXRZXMVHTRSW-UHFFFAOYSA-N	1	0	351.516	1.194	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCC[C@@H]2c2noc(C)n2)CC1	ZINC000329344441	824747918	/nfs/dbraw/zinc/74/79/18/824747918.db2.gz	BOOLOKYGUFURAG-GDBMZVCRSA-N	1	0	364.494	1.703	20	30		FDEDRO
CC(=O)Nc1c[nH]nc1[C@H]1CCCN([C@H]2CCN(c3cnn(C)c3)C2=O)C1	ZINC000329364592	824756064	/nfs/dbraw/zinc/75/60/64/824756064.db2.gz	GBIJZABDXAQLQZ-BBRMVZONSA-N	1	0	371.445	1.736	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N2CCC([NH+]3CCCCC3)CC2)O1	ZINC000329385938	824766060	/nfs/dbraw/zinc/76/60/60/824766060.db2.gz	PMOMADVCDWYSOF-SJORKVTESA-N	1	0	366.506	1.487	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)[C@H](C)C1	ZINC000329407123	824774416	/nfs/dbraw/zinc/77/44/16/824774416.db2.gz	ZNZRDIWMKKQRBP-OWCLPIDISA-N	1	0	366.506	1.221	20	30		FDEDRO
Cc1noc([C@@H]2CCCCN2C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)n1	ZINC000329480579	824827921	/nfs/dbraw/zinc/82/79/21/824827921.db2.gz	DAEYKPAYCVURAS-HNNXBMFYSA-N	1	0	364.494	1.845	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1cncc(F)c1	ZINC000329484813	824828662	/nfs/dbraw/zinc/82/86/62/824828662.db2.gz	WWIRFMUPTUTOEG-BBRMVZONSA-N	1	0	363.437	1.434	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCCNC3=O)CC[C@@H]2C1	ZINC001087992905	824955948	/nfs/dbraw/zinc/95/59/48/824955948.db2.gz	RFMGTXFOUYOWHQ-IKGGRYGDSA-N	1	0	356.470	1.347	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C(N)=O)cc2)C1	ZINC000984824596	825029455	/nfs/dbraw/zinc/02/94/55/825029455.db2.gz	KZLKJHZXIJUSQK-DDBAPUKQSA-N	1	0	357.454	1.361	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(C(=O)NC)c2)C1	ZINC000984825466	825032344	/nfs/dbraw/zinc/03/23/44/825032344.db2.gz	AWFCTCLWYQKHRT-OWYHZJEWSA-N	1	0	371.481	1.622	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCN(C3CCC3)C2=O)C1	ZINC000984825548	825032394	/nfs/dbraw/zinc/03/23/94/825032394.db2.gz	CCFXHPXRXMOWSZ-TWPTVVAISA-N	1	0	361.486	1.215	20	30		FDEDRO
CN1CCN(CC(=O)Nc2ccccc2NC2CC[NH+](C)CC2)CC1=O	ZINC000329625890	825043827	/nfs/dbraw/zinc/04/38/27/825043827.db2.gz	SXGXZFORCJCKFJ-UHFFFAOYSA-N	1	0	359.474	1.555	20	30		FDEDRO
C=CC[C@H]1N(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CCCC1(C)C	ZINC000447423998	828744314	/nfs/dbraw/zinc/74/43/14/828744314.db2.gz	UACDKOAIBYTYCS-OAHLLOKOSA-N	1	0	361.490	1.977	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H]1CC	ZINC000984895783	825260808	/nfs/dbraw/zinc/26/08/08/825260808.db2.gz	OXPOULGOXIWTGB-SLFFLAALSA-N	1	0	367.493	1.658	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C)nn2CCC#N)[C@H](C)C1	ZINC000525901845	828759043	/nfs/dbraw/zinc/75/90/43/828759043.db2.gz	RMZMFAQOWRMPQY-HIFRSBDPSA-N	1	0	360.462	1.232	20	30		FDEDRO
C[C@@H](NC(=O)CN1CC[C@@H](N2CCOCC2)[C@H]1C)C(=O)N1CCCCC1	ZINC000329777983	825449056	/nfs/dbraw/zinc/44/90/56/825449056.db2.gz	KUPUUTITVXIKAA-BRWVUGGUSA-N	1	0	366.506	1.139	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnnn2CCC)C1	ZINC000984919295	825460362	/nfs/dbraw/zinc/46/03/62/825460362.db2.gz	GZJICIRRYZNEKC-JKQORVJESA-N	1	0	362.478	1.049	20	30		FDEDRO
[O-]C(N[C@@H]1CCc2c[nH]nc2C1)=[NH+]C1CC[NH+](Cc2ccncc2)CC1	ZINC000329826308	825487533	/nfs/dbraw/zinc/48/75/33/825487533.db2.gz	IQJZMUHVIOQMKR-QGZVFWFLSA-N	1	0	354.458	1.830	20	30		FDEDRO
CO[C@@H]1CN(CCOc2ccccc2F)C[C@H]1NC(=O)CSCC#N	ZINC001211888729	825517527	/nfs/dbraw/zinc/51/75/27/825517527.db2.gz	MMHNOSIZAHZSPC-GDBMZVCRSA-N	1	0	367.446	1.277	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)Cc2cnc[nH]2)[C@@H]1CC	ZINC000984931618	825525422	/nfs/dbraw/zinc/52/54/22/825525422.db2.gz	AQVKZUCEMFXWFR-BMFAXAFESA-N	1	0	374.485	1.819	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](NC(=O)N(C)C[C@@H]2C[C@H](F)CN2c2nnc(C)o2)C1	ZINC000329898504	825530342	/nfs/dbraw/zinc/53/03/42/825530342.db2.gz	DWRACUPKASAQOX-KKUMJFAQSA-N	1	0	368.457	1.625	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)C1	ZINC000329900037	825531804	/nfs/dbraw/zinc/53/18/04/825531804.db2.gz	FYIWWIHXWVJZOX-BBWFWOEESA-N	1	0	366.485	1.320	20	30		FDEDRO
O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC[C@@H]1C[C@H](F)CN1c1cccnn1	ZINC000329927553	825546856	/nfs/dbraw/zinc/54/68/56/825546856.db2.gz	XBRHQKIXMZCFRZ-DZKIICNBSA-N	1	0	362.453	1.381	20	30		FDEDRO
Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)NC2CC[NH+](C)CC2)no1	ZINC000329934888	825551378	/nfs/dbraw/zinc/55/13/78/825551378.db2.gz	KBWNHHRBXUAGJT-ZFWWWQNUSA-N	1	0	368.457	1.230	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)NC(C)C)C2)CC1	ZINC000329954148	825561963	/nfs/dbraw/zinc/56/19/63/825561963.db2.gz	OFKLWPOQRNUBGS-SJORKVTESA-N	1	0	365.522	1.012	20	30		FDEDRO
CC(=O)N1CC[C@@H](NC(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)C1	ZINC000329976441	825573388	/nfs/dbraw/zinc/57/33/88/825573388.db2.gz	YSYSKPRSXAUCRV-GOSISDBHSA-N	1	0	373.501	1.555	20	30		FDEDRO
COc1cccc([C@@H](CNC(=O)N2C[C@@H](O)C[C@H]2CO)[NH+]2CCCC2)c1	ZINC000330075989	825622745	/nfs/dbraw/zinc/62/27/45/825622745.db2.gz	MDFRODKUTZHZKP-XYJFISCASA-N	1	0	363.458	1.174	20	30		FDEDRO
CC(=O)N1CCN(C(=O)NCC2(N3CCOCC3)CCCCC2)[C@@H](C)C1	ZINC000330119110	825651800	/nfs/dbraw/zinc/65/18/00/825651800.db2.gz	ZJBLJNQGIKOXTC-INIZCTEOSA-N	1	0	366.506	1.488	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@H]2CCCc3c[nH]nc32)CC1	ZINC000330123420	825656050	/nfs/dbraw/zinc/65/60/50/825656050.db2.gz	HNNRFYROUYQYFV-SJORKVTESA-N	1	0	360.506	1.803	20	30		FDEDRO
O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CCOC2(CCOCC2)C1	ZINC000330184817	825710572	/nfs/dbraw/zinc/71/05/72/825710572.db2.gz	QYUZYFNZSDRJFK-MRXNPFEDSA-N	1	0	367.490	1.283	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cnc4cc(C)nn4c3C)C[C@@H]2C1	ZINC001088059642	825717404	/nfs/dbraw/zinc/71/74/04/825717404.db2.gz	LPYFQPXJQNDHQU-SJORKVTESA-N	1	0	351.454	1.763	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cncn4)nc3)C[C@@H]2C1	ZINC001088060043	825718448	/nfs/dbraw/zinc/71/84/48/825718448.db2.gz	ITNNQPUTKVRQJO-SJORKVTESA-N	1	0	350.426	1.080	20	30		FDEDRO
CC(C)C[C@H](CNC(=O)N1CCOC2(CCOCC2)C1)N1CCOCC1	ZINC000330191724	825723225	/nfs/dbraw/zinc/72/32/25/825723225.db2.gz	XGNKPCNCWUZZBK-QGZVFWFLSA-N	1	0	369.506	1.529	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+]([C@@H](C)C(=O)NC4CC4)CC[C@@H]3C2)cc1	ZINC001088062014	825752272	/nfs/dbraw/zinc/75/22/72/825752272.db2.gz	JLHQTWORCKXNPY-IPELMVKDSA-N	1	0	365.477	1.729	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(n4cnnn4)CCCCC3)C[C@@H]2C1	ZINC001088063894	825774786	/nfs/dbraw/zinc/77/47/86/825774786.db2.gz	BLXVTULLDRBFEO-SJORKVTESA-N	1	0	358.490	1.689	20	30		FDEDRO
O=C([C@@H]1CCNC1=O)N1C[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)CC[C@@H]2C1	ZINC001088065311	825790171	/nfs/dbraw/zinc/79/01/71/825790171.db2.gz	PORZVMVBSVTGQH-ZIFCJYIRSA-N	1	0	369.440	1.094	20	30		FDEDRO
CNC(=O)[C@]1(C)CCN(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C1	ZINC000330282127	825793143	/nfs/dbraw/zinc/79/31/43/825793143.db2.gz	VDTBIEDSAPDHTM-LJQANCHMSA-N	1	0	365.522	1.757	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1	ZINC000280877151	825804203	/nfs/dbraw/zinc/80/42/03/825804203.db2.gz	LRAITTSYRXFNGO-XLIONFOSSA-N	1	0	367.497	1.630	20	30		FDEDRO
C#C[C@@H](NC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C(C)C	ZINC000281091678	825872093	/nfs/dbraw/zinc/87/20/93/825872093.db2.gz	PBLRRFZLMDUTRC-RBUKOAKNSA-N	1	0	370.497	1.841	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(c2nc(=O)[nH][nH]2)CC1	ZINC000281118378	825882645	/nfs/dbraw/zinc/88/26/45/825882645.db2.gz	XHJZZQPYIATTLN-CQSZACIVSA-N	1	0	368.441	1.613	20	30		FDEDRO
CNC(=O)[C@@]1(C)CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1	ZINC000281308940	825928923	/nfs/dbraw/zinc/92/89/23/825928923.db2.gz	XNMYZWZHLKDKSD-LIRRHRJNSA-N	1	0	360.433	1.919	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC3(F)F)[C@@H]2CC)CC1	ZINC000984989317	826006178	/nfs/dbraw/zinc/00/61/78/826006178.db2.gz	OLPZQTVDGSLYRM-OWCLPIDISA-N	1	0	367.440	1.483	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2coc(C3CC3)n2)C[C@H]1C(F)(F)F	ZINC001112175045	826077701	/nfs/dbraw/zinc/07/77/01/826077701.db2.gz	HFEXKXUVBGLDHG-CHWSQXEVSA-N	1	0	371.359	1.794	20	30		FDEDRO
CO[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)c1cnn(C)c1	ZINC000281759522	826209880	/nfs/dbraw/zinc/20/98/80/826209880.db2.gz	FKIZVQBWTPVMNM-SFHVURJKSA-N	1	0	355.442	1.570	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1	ZINC000281773851	826224638	/nfs/dbraw/zinc/22/46/38/826224638.db2.gz	MDASLCPUZGTAJT-PKOBYXMFSA-N	1	0	373.501	1.614	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4nccnc4C)CC[C@@H]3C2)nn1	ZINC001088133685	826574355	/nfs/dbraw/zinc/57/43/55/826574355.db2.gz	VRKSCHHSOUVYBS-CVEARBPZSA-N	1	0	367.457	1.157	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4cnc(C)o4)CC[C@@H]3C2)nn1	ZINC001088135753	826590178	/nfs/dbraw/zinc/59/01/78/826590178.db2.gz	ZXXLSGOEHRAJAF-CVEARBPZSA-N	1	0	370.457	1.745	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4ccnc4)nn3)C[C@@H]2C1	ZINC001088139063	826635925	/nfs/dbraw/zinc/63/59/25/826635925.db2.gz	RYUFZCQMRSCCOH-CVEARBPZSA-N	1	0	352.442	1.632	20	30		FDEDRO
C[NH+]=C(N[C@@H]1C[C@@](C)(OC)C1(C)C)N1CCN(Cc2cc(C)on2)CC1	ZINC000262423790	826648199	/nfs/dbraw/zinc/64/81/99/826648199.db2.gz	RITFEGSTJHJONI-VQIMIIECSA-N	1	0	363.506	1.880	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@H]2CC)cn1	ZINC000985168420	826682852	/nfs/dbraw/zinc/68/28/52/826682852.db2.gz	RRHZUZJPRIRSMN-ZYSHUDEJSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2CC)cn1	ZINC000985211496	826937634	/nfs/dbraw/zinc/93/76/34/826937634.db2.gz	DYZTUMUIJJYGTN-AYOQOUSVSA-N	1	0	368.481	1.657	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(N4CCCC4)nn3)C[C@@H]2C1	ZINC001088166132	826946946	/nfs/dbraw/zinc/94/69/46/826946946.db2.gz	MBEAESPWKPRQLT-SJORKVTESA-N	1	0	353.470	1.494	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc(OCC4CC4)cn3)C[C@@H]2C1	ZINC001088168672	826984786	/nfs/dbraw/zinc/98/47/86/826984786.db2.gz	NQYCQCGRAXWYKK-SJORKVTESA-N	1	0	354.454	1.683	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4cc(C)ncn4)CC[C@@H]3C2)cn1	ZINC001088175033	827223735	/nfs/dbraw/zinc/22/37/35/827223735.db2.gz	ANUBVUKHGZMGSD-MSOLQXFVSA-N	1	0	361.449	1.755	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1	ZINC001088184258	827313410	/nfs/dbraw/zinc/31/34/10/827313410.db2.gz	WBGKDCNOKXOONT-RTWAWAEBSA-N	1	0	362.477	1.924	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3c(=O)oc4ccccc43)C[C@@H]2C1	ZINC001088196557	827409050	/nfs/dbraw/zinc/40/90/50/827409050.db2.gz	NNHSOXAVDZCJAE-CVEARBPZSA-N	1	0	353.422	1.398	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)[C@@H](C1CC1)[NH+]1CCCC1	ZINC000987546559	833197033	/nfs/dbraw/zinc/19/70/33/833197033.db2.gz	GTXUWZZBHDUWLX-RPVQJOFSSA-N	1	0	369.469	1.480	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4nccn4C)C[C@H]3C2)CC1	ZINC001088212045	827493096	/nfs/dbraw/zinc/49/30/96/827493096.db2.gz	LYMAPDQNHXQRPT-MOPGFXCFSA-N	1	0	369.513	1.046	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4nocc4C)C[C@H]3C2)CC1	ZINC001088212252	827493583	/nfs/dbraw/zinc/49/35/83/827493583.db2.gz	YBTXVMSKLLNSCZ-MOPGFXCFSA-N	1	0	370.497	1.609	20	30		FDEDRO
C#CCNC(=O)c1ccc(NCC2([NH+]3CCOCC3)CCCCC2)nc1	ZINC000301238631	827629639	/nfs/dbraw/zinc/62/96/39/827629639.db2.gz	NHSWLFLCPMEAFT-UHFFFAOYSA-N	1	0	356.470	1.892	20	30		FDEDRO
CN1C[C@@H](C(=O)N2CC[C@H]3CN(Cc4cc(C#N)ccc4F)C[C@H]32)CC1=O	ZINC001075855304	827935592	/nfs/dbraw/zinc/93/55/92/827935592.db2.gz	GCUOYVHPOWQRDC-QILLFSRXSA-N	1	0	370.428	1.208	20	30		FDEDRO
CN(C)C(NCc1ccccc1)=[NH+]CCS(=O)(=O)NCc1ccccc1	ZINC000303906816	827942430	/nfs/dbraw/zinc/94/24/30/827942430.db2.gz	WKVFWKGSIQTDIZ-UHFFFAOYSA-N	1	0	374.510	1.813	20	30		FDEDRO
C[N@@H+](Cc1ccc(OCC#N)cc1)C[C@@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1	ZINC001029745738	827974804	/nfs/dbraw/zinc/97/48/04/827974804.db2.gz	VAOFZRMYYXPUET-WFXMLNOXSA-N	1	0	369.465	1.906	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)[C@H]2CC)nc1	ZINC000985497164	828042058	/nfs/dbraw/zinc/04/20/58/828042058.db2.gz	CZGKZUWCHKCFFX-VDZJLULYSA-N	1	0	368.481	1.514	20	30		FDEDRO
CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=[NH2+])N1CCN(c2ncccn2)CC1	ZINC000262540343	828073556	/nfs/dbraw/zinc/07/35/56/828073556.db2.gz	RPOQPKOMKHADRP-HZPDHXFCSA-N	1	0	360.506	1.755	20	30		FDEDRO
C=CC[C@@H]1[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)CCCC1(C)C	ZINC000444783166	828190173	/nfs/dbraw/zinc/19/01/73/828190173.db2.gz	KDUVYCZAEJOZEJ-KRWDZBQOSA-N	1	0	364.534	1.286	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](OCCOC)C[C@H](CO)C2)CC1	ZINC000447774992	828884825	/nfs/dbraw/zinc/88/48/25/828884825.db2.gz	BORHNRPZVSEWRW-FUHWJXTLSA-N	1	0	369.506	1.082	20	30		FDEDRO
CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)c1cnn(C)c1C#N	ZINC000527012937	828925750	/nfs/dbraw/zinc/92/57/50/828925750.db2.gz	BPWLFFOAXIVAPX-UHFFFAOYSA-N	1	0	372.517	1.560	20	30		FDEDRO
O=C(C[NH2+][C@@H](CO)[C@@H]1CCCO1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000447905910	828932829	/nfs/dbraw/zinc/93/28/29/828932829.db2.gz	VYWPKTABMKIAKP-HOTGVXAUSA-N	1	0	370.371	1.303	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](CO)[C@H]2CCCO2)cc1	ZINC000447917128	828935836	/nfs/dbraw/zinc/93/58/36/828935836.db2.gz	WUTBARNKOKLOSZ-QZTJIDSGSA-N	1	0	361.442	1.461	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCC1)N1CCCN(C(=O)c2ccccc2)CC1	ZINC000527299813	829023310	/nfs/dbraw/zinc/02/33/10/829023310.db2.gz	PIRYPYSRKUHSEH-MRXNPFEDSA-N	1	0	354.454	1.785	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1	ZINC000527367134	829039276	/nfs/dbraw/zinc/03/92/76/829039276.db2.gz	MAPZCBUOLUCESG-HNNXBMFYSA-N	1	0	356.426	1.592	20	30		FDEDRO
COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(CCC#N)CC1CC1	ZINC000527375701	829057119	/nfs/dbraw/zinc/05/71/19/829057119.db2.gz	HLHHEZQAAVWJGH-UHFFFAOYSA-N	1	0	358.442	1.848	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCC(C)CC1	ZINC001168095304	829099392	/nfs/dbraw/zinc/09/93/92/829099392.db2.gz	MTJSJQDGNUSWAU-WMZOPIPTSA-N	1	0	351.491	1.322	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1	ZINC000528381278	829372407	/nfs/dbraw/zinc/37/24/07/829372407.db2.gz	PPRKOQZUJWUDSM-ZWKOTPCHSA-N	1	0	357.454	1.632	20	30		FDEDRO
CCCC(=O)NC[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1	ZINC000528369655	829373664	/nfs/dbraw/zinc/37/36/64/829373664.db2.gz	WWBXOANDILQABO-SJLPKXTDSA-N	1	0	359.470	1.926	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CCN1CCC[C@H]1C[NH+]1CCCC1	ZINC000528367876	829374205	/nfs/dbraw/zinc/37/42/05/829374205.db2.gz	JPGQKIQQNRMGJF-KRWDZBQOSA-N	1	0	351.450	1.846	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)CC#CCN2C(=O)c3ccccc3C2=O)[C@H](C)C1	ZINC000528415843	829394913	/nfs/dbraw/zinc/39/49/13/829394913.db2.gz	JXYMDDKKHINQCV-APWZRJJASA-N	1	0	353.466	1.948	20	30		FDEDRO
NC(=O)CCC1CC[NH+](CC#CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000528432523	829401703	/nfs/dbraw/zinc/40/17/03/829401703.db2.gz	WAQFLZNIOVZTDD-UHFFFAOYSA-N	1	0	353.422	1.264	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1	ZINC000528493437	829432962	/nfs/dbraw/zinc/43/29/62/829432962.db2.gz	VFTLMDDNSZBPMG-RTBURBONSA-N	1	0	359.470	1.485	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1	ZINC000528521814	829435975	/nfs/dbraw/zinc/43/59/75/829435975.db2.gz	FVIIRBJNRDCOQL-RXVVDRJESA-N	1	0	365.433	1.427	20	30		FDEDRO
N#Cc1ccc(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cn1	ZINC000528917944	829619269	/nfs/dbraw/zinc/61/92/69/829619269.db2.gz	MQTWRFWERMAFDB-QUCCMNQESA-N	1	0	364.449	1.495	20	30		FDEDRO
N#Cc1ccc(CC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cn1	ZINC000528920946	829620576	/nfs/dbraw/zinc/62/05/76/829620576.db2.gz	WQGIGVMHPLMWJL-RTBURBONSA-N	1	0	350.422	1.247	20	30		FDEDRO
CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000529319687	829826568	/nfs/dbraw/zinc/82/65/68/829826568.db2.gz	CAAJFJJVOVAHMH-ROUUACIJSA-N	1	0	369.469	1.693	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]3C2)C1	ZINC000985895728	829999407	/nfs/dbraw/zinc/99/94/07/829999407.db2.gz	TYQBTFBVKZRUSW-OIISXLGYSA-N	1	0	369.469	1.149	20	30		FDEDRO
CC1([NH+]2CCOCC2)CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1	ZINC000529911681	830087056	/nfs/dbraw/zinc/08/70/56/830087056.db2.gz	XRHNMHGYXMIWHS-UHFFFAOYSA-N	1	0	370.453	1.001	20	30		FDEDRO
C[C@@H]1CN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C[C@H](C)[N@H+]1CCO	ZINC000450791231	830116185	/nfs/dbraw/zinc/11/61/85/830116185.db2.gz	HYWBQHZOSQKSEC-BETUJISGSA-N	1	0	355.398	1.906	20	30		FDEDRO
CO[C@H](Cc1ccccc1)C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1	ZINC000450823601	830136525	/nfs/dbraw/zinc/13/65/25/830136525.db2.gz	RKLUETXGKOSBTC-GOSISDBHSA-N	1	0	353.470	1.980	20	30		FDEDRO
C[NH+](C)CCn1ccc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)n1	ZINC000530058638	830171033	/nfs/dbraw/zinc/17/10/33/830171033.db2.gz	ASBVWOUYILRCHI-UHFFFAOYSA-N	1	0	367.453	1.752	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]3C2)C1	ZINC000985985053	830244162	/nfs/dbraw/zinc/24/41/62/830244162.db2.gz	ZNGAJXRRUWYNIX-INMHGKMJSA-N	1	0	369.469	1.149	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2csc([C@@H]3CCCO3)n2)[C@@H](O)C1	ZINC001083460940	837467033	/nfs/dbraw/zinc/46/70/33/837467033.db2.gz	FTESLOLKZWBFON-SNPRPXQTSA-N	1	0	351.472	1.736	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1C(F)(F)F	ZINC001112202778	830670156	/nfs/dbraw/zinc/67/01/56/830670156.db2.gz	NILIMVVFXFGQJD-DGCLKSJQSA-N	1	0	358.364	1.339	20	30		FDEDRO
[NH2+]=C(NCC1(N2CCOCC2)CC1)N1CCN(c2ccc(F)cc2)CC1	ZINC000262734493	830855574	/nfs/dbraw/zinc/85/55/74/830855574.db2.gz	IILBQYFPVLPVOC-UHFFFAOYSA-N	1	0	361.465	1.127	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C1	ZINC000531791750	830873679	/nfs/dbraw/zinc/87/36/79/830873679.db2.gz	JSUUWNSHKPPMRT-HZPDHXFCSA-N	1	0	371.489	1.299	20	30		FDEDRO
C=CCn1c(CCCC)nnc1N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1	ZINC000453424115	830933358	/nfs/dbraw/zinc/93/33/58/830933358.db2.gz	HJLXGDPNFCLWHH-MRXNPFEDSA-N	1	0	360.506	1.597	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)ccc1C#N	ZINC000453652465	831002703	/nfs/dbraw/zinc/00/27/03/831002703.db2.gz	DUQISCDPNUBLNZ-MRXNPFEDSA-N	1	0	355.442	1.581	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@H+]1CCCO	ZINC000453802095	831102746	/nfs/dbraw/zinc/10/27/46/831102746.db2.gz	BSBYBYZKLJAKBL-QGZVFWFLSA-N	1	0	359.470	1.707	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)CC[C@@H]3C2)C1	ZINC000986421809	831652410	/nfs/dbraw/zinc/65/24/10/831652410.db2.gz	MGQZTQHLLVPOAI-UAGQMJEPSA-N	1	0	369.469	1.149	20	30		FDEDRO
C=C1CC(C)(C(=O)N2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)C1	ZINC000986429596	831669235	/nfs/dbraw/zinc/66/92/35/831669235.db2.gz	WQFLEEYXCKGAFA-SJORKVTESA-N	1	0	357.498	1.745	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2nccnc2N)CCN1Cc1ccc(C#N)c(F)c1	ZINC001088497801	831817492	/nfs/dbraw/zinc/81/74/92/831817492.db2.gz	RKLZXLOOOWRVFV-ABAIWWIYSA-N	1	0	354.389	1.462	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCCOC2)C[C@H]1C(F)(F)F	ZINC001112207076	831908518	/nfs/dbraw/zinc/90/85/18/831908518.db2.gz	JXDNKTSZVZWRER-RRFJBIMHSA-N	1	0	364.408	1.985	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1	ZINC000897393318	832029342	/nfs/dbraw/zinc/02/93/42/832029342.db2.gz	HVLPEFRLQQIQAX-GASCZTMLSA-N	1	0	364.490	1.781	20	30		FDEDRO
C#Cc1ccc(C(=O)NCC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC001059732812	832065984	/nfs/dbraw/zinc/06/59/84/832065984.db2.gz	XXAVEXWTAKHILP-YVWKXTFCSA-N	1	0	367.493	1.977	20	30		FDEDRO
C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1	ZINC000986840489	832286517	/nfs/dbraw/zinc/28/65/17/832286517.db2.gz	HBNUVULSMUNQBJ-CKEIUWERSA-N	1	0	371.485	1.583	20	30		FDEDRO
CCCN1C[C@H](CNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)CC1=O	ZINC000263086135	832311135	/nfs/dbraw/zinc/31/11/35/832311135.db2.gz	IJDKGKUMGNMZJB-HNNXBMFYSA-N	1	0	361.465	1.521	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C[C@@H](O)c1ccc(F)cc1	ZINC001088530250	832462083	/nfs/dbraw/zinc/46/20/83/832462083.db2.gz	JGXGNTUBZXHBPE-OCBCSQNSSA-N	1	0	356.401	1.952	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@H]3CCCCO3)[C@H]2C)CC1	ZINC000987608167	833475637	/nfs/dbraw/zinc/47/56/37/833475637.db2.gz	OHWZWRVPNWPOHX-BPQIPLTHSA-N	1	0	361.486	1.006	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1C	ZINC000987646463	833511766	/nfs/dbraw/zinc/51/17/66/833511766.db2.gz	GWAAINFPHUTMIV-COXVUDFISA-N	1	0	357.458	1.478	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CN(C)C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000988034243	833907461	/nfs/dbraw/zinc/90/74/61/833907461.db2.gz	ZZEXSYXPQMUXRV-QILLFSRXSA-N	1	0	371.485	1.537	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1	ZINC000988014867	833919911	/nfs/dbraw/zinc/91/99/11/833919911.db2.gz	UWMSXHVVTCSNOK-AOIWGVFYSA-N	1	0	363.502	1.370	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1	ZINC000666537303	833951435	/nfs/dbraw/zinc/95/14/35/833951435.db2.gz	OEFBKZAIORBBFR-GOSISDBHSA-N	1	0	373.501	1.311	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@H]2C)c1	ZINC000988331261	834381699	/nfs/dbraw/zinc/38/16/99/834381699.db2.gz	RLURPVYQVRHDLJ-GRGSLBFTSA-N	1	0	368.481	1.512	20	30		FDEDRO
C[NH+]=C(NCCOc1ccc(Cl)cc1)N1CCN(c2ncccn2)CC1	ZINC000262594047	837788641	/nfs/dbraw/zinc/78/86/41/837788641.db2.gz	VXHKKTZCRTTXEF-UHFFFAOYSA-N	1	0	374.876	1.906	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3ccncc3C)[C@H]2C)C1=O	ZINC001088568757	834828376	/nfs/dbraw/zinc/82/83/76/834828376.db2.gz	UFKCIYWWJNGCHK-BPQIPLTHSA-N	1	0	356.470	1.298	20	30		FDEDRO
N#Cc1cccc([N+](=O)[O-])c1CN1CCCN(CC(=O)N2CCCC2)CC1	ZINC000459308790	834963000	/nfs/dbraw/zinc/96/30/00/834963000.db2.gz	KDYYPDPTGBTLLI-UHFFFAOYSA-N	1	0	371.441	1.597	20	30		FDEDRO
CN(C)S(=O)(=O)CCCO[NH+]=Cc1ccc(N2CCOCC2)cc1	ZINC000729674595	835196971	/nfs/dbraw/zinc/19/69/71/835196971.db2.gz	VNUXBKDDNKVQRK-UHFFFAOYSA-N	1	0	355.460	1.155	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCOCCC(C)C)C[C@H]1OC	ZINC001211972641	835322822	/nfs/dbraw/zinc/32/28/22/835322822.db2.gz	URHGIIOLVXYMCF-KZNAEPCWSA-N	1	0	356.507	1.846	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3ccccc3F)[C@@H]2C)CC1	ZINC000988508391	835669393	/nfs/dbraw/zinc/66/93/93/835669393.db2.gz	IPFXSSXMZSKCCZ-BEFAXECRSA-N	1	0	371.456	1.890	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@@H]1C	ZINC000988513004	835697739	/nfs/dbraw/zinc/69/77/39/835697739.db2.gz	FDMDEVHXELDUPS-KMFMINBZSA-N	1	0	357.458	1.480	20	30		FDEDRO
CC(C)N1C[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)CC1=O	ZINC001088601464	835944513	/nfs/dbraw/zinc/94/45/13/835944513.db2.gz	BCZQWAMWHCPJJC-MNEFBYGVSA-N	1	0	368.481	1.894	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCc2cnn(CC)c2)C[C@H]1OC	ZINC001211994486	836012965	/nfs/dbraw/zinc/01/29/65/836012965.db2.gz	AONBDUDNBYIYFY-CGTJXYLNSA-N	1	0	364.490	1.242	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1F	ZINC000455542956	836117286	/nfs/dbraw/zinc/11/72/86/836117286.db2.gz	NUCVJOPDBFVREM-MRXNPFEDSA-N	1	0	360.433	1.951	20	30		FDEDRO
COCCCCC(=O)N[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1OC	ZINC001212004265	836247492	/nfs/dbraw/zinc/24/74/92/836247492.db2.gz	CXAMPFDXYZNODX-RTBURBONSA-N	1	0	362.445	1.809	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1cc2ccccc2cc1C(=O)OC	ZINC001212017233	836296511	/nfs/dbraw/zinc/29/65/11/836296511.db2.gz	AZACOBHRRNUYBD-UHFFFAOYSA-N	1	0	374.462	1.860	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C	ZINC000988783143	837316811	/nfs/dbraw/zinc/31/68/11/837316811.db2.gz	NRMWODIXFBJFAL-BGTYHANMSA-N	1	0	363.502	1.415	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C)nc1	ZINC000989163134	838544503	/nfs/dbraw/zinc/54/45/03/838544503.db2.gz	AMGIDKQBVDWOLR-INMHGKMJSA-N	1	0	354.454	1.266	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1	ZINC000989232894	838823127	/nfs/dbraw/zinc/82/31/27/838823127.db2.gz	XGCLOZMVXMKRIN-TXTZMMAHSA-N	1	0	363.502	1.415	20	30		FDEDRO
COc1cc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)ccc1OCc1cccc(C#N)c1	ZINC000459689095	838913818	/nfs/dbraw/zinc/91/38/18/838913818.db2.gz	IDYSXTKEECIYHU-MOPGFXCFSA-N	1	0	368.433	1.931	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000459824992	838968567	/nfs/dbraw/zinc/96/85/67/838968567.db2.gz	SWOQGVXFKQHNQK-NRFANRHFSA-N	1	0	373.497	1.506	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cnc[nH]c2=O)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088649111	838985477	/nfs/dbraw/zinc/98/54/77/838985477.db2.gz	KLICASIZTZUNLQ-DYVFJYSZSA-N	1	0	367.409	1.477	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@@]3(C)C=CCC3)[C@H]2C)CC1	ZINC000989331216	839511213	/nfs/dbraw/zinc/51/12/13/839511213.db2.gz	ANVDPGQIAZGQMD-MMOPVJDHSA-N	1	0	357.498	1.794	20	30		FDEDRO
N#CCOc1cccc(CC(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1	ZINC000760328965	839808292	/nfs/dbraw/zinc/80/82/92/839808292.db2.gz	BTLMFHPSLQFWJD-IBGZPJMESA-N	1	0	357.454	1.845	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105587997	840036641	/nfs/dbraw/zinc/03/66/41/840036641.db2.gz	PWHHCNVXZTYRRA-PSBWJHGTSA-N	1	0	354.491	1.192	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3=COCCO3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105590791	840129802	/nfs/dbraw/zinc/12/98/02/840129802.db2.gz	NFCARVZBYAAQLY-LFEHRJTNSA-N	1	0	350.459	1.417	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3=COCCO3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105590788	840129955	/nfs/dbraw/zinc/12/99/55/840129955.db2.gz	NFCARVZBYAAQLY-FXRXJOCMSA-N	1	0	350.459	1.417	20	30		FDEDRO
C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCCCC[NH+]1CCOCC1	ZINC000479639884	844507158	/nfs/dbraw/zinc/50/71/58/844507158.db2.gz	BAYBETNJPLHBDE-UHFFFAOYSA-N	1	0	365.474	1.972	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc(C)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105591584	840143584	/nfs/dbraw/zinc/14/35/84/840143584.db2.gz	RPYGRYVIKIXDEQ-LBKNJMOBSA-N	1	0	356.470	1.388	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC2(C3(O)CCC3)CCC2)CC1	ZINC000897674930	840218584	/nfs/dbraw/zinc/21/85/84/840218584.db2.gz	MEJKVJQMPNNGDE-UHFFFAOYSA-N	1	0	363.502	1.345	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)C3C[NH+]([C@H]4CCOC4)C3)CC2)c(F)c1	ZINC000897744584	840365472	/nfs/dbraw/zinc/36/54/72/840365472.db2.gz	VRJJQBBUVRELOT-INIZCTEOSA-N	1	0	373.428	1.788	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C)n3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105593917	840379847	/nfs/dbraw/zinc/37/98/47/840379847.db2.gz	ISGMLSKFAVVZPA-RDPOXOKHSA-N	1	0	357.498	1.937	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105594573	840577234	/nfs/dbraw/zinc/57/72/34/840577234.db2.gz	SKJSMYVPJDUURL-MLYOOKFZSA-N	1	0	360.502	1.966	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCc4cccnc4)[C@@H]3C2)C1=O	ZINC001075999494	844555103	/nfs/dbraw/zinc/55/51/03/844555103.db2.gz	GNMYSCRKILHMIH-GBESFXJTSA-N	1	0	368.481	1.334	20	30		FDEDRO
CN1CC[NH+](CCC(C)(C)NC(=O)NCc2ccc(C#N)c(F)c2)CC1	ZINC000459119120	840658094	/nfs/dbraw/zinc/65/80/94/840658094.db2.gz	LMEKXMRKXUBAOX-UHFFFAOYSA-N	1	0	361.465	1.913	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105598123	840767633	/nfs/dbraw/zinc/76/76/33/840767633.db2.gz	LDNVONUJKXCTJV-XCJLJZCSSA-N	1	0	355.482	1.993	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCN(c3cc(=O)[nH]cn3)C2)cc1	ZINC000898158880	840838685	/nfs/dbraw/zinc/83/86/85/840838685.db2.gz	HCJXNBAMVVIRNC-MRXNPFEDSA-N	1	0	352.442	1.901	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000898135281	840858623	/nfs/dbraw/zinc/85/86/23/840858623.db2.gz	CXUFAKDKBZDEQS-UHFFFAOYSA-N	1	0	372.513	1.773	20	30		FDEDRO
CCOC(=O)N1C[C@@H](CO)[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1	ZINC000898359336	840965587	/nfs/dbraw/zinc/96/55/87/840965587.db2.gz	PILCYVKSTCHMPJ-FUHWJXTLSA-N	1	0	361.442	1.908	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+]CCCn3ccc(=O)[nH]c3=O)CC2)cc1	ZINC000898333611	840973936	/nfs/dbraw/zinc/97/39/36/840973936.db2.gz	UXMYDCNSUDJEJR-UHFFFAOYSA-N	1	0	367.453	1.465	20	30		FDEDRO
C=CCNC(=O)CN1CCN(c2cc[nH+]c3cc(F)c(OC)cc32)CC1	ZINC000479918971	844604431	/nfs/dbraw/zinc/60/44/31/844604431.db2.gz	YKHMOHBHDIPENT-UHFFFAOYSA-N	1	0	358.417	1.807	20	30		FDEDRO
C=CCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)N3CCC3)C2)[C@H]1C(C)C	ZINC001105604101	841174446	/nfs/dbraw/zinc/17/44/46/841174446.db2.gz	RMRLIGLEANTXSU-SMOSDQRPSA-N	1	0	363.502	1.151	20	30		FDEDRO
C=CCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cncn3C)C2)[C@@H]1C(C)C	ZINC001105603962	841179830	/nfs/dbraw/zinc/17/98/30/841179830.db2.gz	QUWYJVJFNMZOHD-IZBJGVDFSA-N	1	0	360.502	1.852	20	30		FDEDRO
C=CCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NCC=C)C2)[C@H]1C(C)C	ZINC001105604679	841184757	/nfs/dbraw/zinc/18/47/57/841184757.db2.gz	WHHOUGNCRUMYOY-XNFNUYLZSA-N	1	0	363.502	1.221	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nccnc3N)[C@@H]2C(C)C)C[C@H]1O	ZINC001105606410	841205351	/nfs/dbraw/zinc/20/53/51/841205351.db2.gz	CYQBNXUSFXLLAD-NPNMTCQASA-N	1	0	359.474	1.215	20	30		FDEDRO
C=CCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)N(C)C)C2)[C@@H]1C(C)C	ZINC001105606979	841210876	/nfs/dbraw/zinc/21/08/76/841210876.db2.gz	JMUPAVGWDOSCRQ-LTDCPUDJSA-N	1	0	351.491	1.007	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)COCCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105609945	841501456	/nfs/dbraw/zinc/50/14/56/841501456.db2.gz	DRZNJYJZJDDRFJ-ZAWLATJESA-N	1	0	354.491	1.192	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(=[NH+]C)N2CCN(C(=O)c3ccco3)CC2)C12CCC2	ZINC000089158676	841705273	/nfs/dbraw/zinc/70/52/73/841705273.db2.gz	RVWPVHUGAHBTBD-DLBZAZTESA-N	1	0	374.485	1.961	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)[C@H]2C)c1	ZINC000989997285	841765037	/nfs/dbraw/zinc/76/50/37/841765037.db2.gz	NCOCZNQEJHESET-DAYGRLMNSA-N	1	0	354.454	1.266	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC000990005613	841799451	/nfs/dbraw/zinc/79/94/51/841799451.db2.gz	SEXFEYPISIXJGO-CJNGLKHVSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3nnc[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105615221	842230211	/nfs/dbraw/zinc/23/02/11/842230211.db2.gz	QJBIFQXVIDSOOQ-LTDCPUDJSA-N	1	0	361.490	1.280	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnn3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105618796	842234218	/nfs/dbraw/zinc/23/42/18/842234218.db2.gz	ARMCREKPPFAGPR-PHXBYCTMSA-N	1	0	358.486	1.506	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCn3ccnn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105619745	842239603	/nfs/dbraw/zinc/23/96/03/842239603.db2.gz	QBAYSKARSKCFFE-FPAYPSAMSA-N	1	0	361.490	1.210	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3ncc[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105622422	842246532	/nfs/dbraw/zinc/24/65/32/842246532.db2.gz	AMRRMLMJDYXCRN-SMOSDQRPSA-N	1	0	360.502	1.885	20	30		FDEDRO
COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH]c(C#N)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105624163	842253126	/nfs/dbraw/zinc/25/31/26/842253126.db2.gz	XVWQMKFVFMWPBZ-VXIBKDFQSA-N	1	0	360.458	1.112	20	30		FDEDRO
COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C#CC(C)(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105626504	842256793	/nfs/dbraw/zinc/25/67/93/842256793.db2.gz	CEADSAXFFJYGDR-ZTRFORPCSA-N	1	0	350.503	1.648	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(C)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105626766	842257988	/nfs/dbraw/zinc/25/79/88/842257988.db2.gz	HJCRFXLUAIXVEF-VIPLHTEESA-N	1	0	350.503	1.955	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(C)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105628335	842261325	/nfs/dbraw/zinc/26/13/25/842261325.db2.gz	URFJLQJZIIYIGO-UOSKARGWSA-N	1	0	363.502	1.055	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3nccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105631491	842264937	/nfs/dbraw/zinc/26/49/37/842264937.db2.gz	CZXNQRZVPAFYGW-ZAWLATJESA-N	1	0	361.490	1.210	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3c[nH]cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105636709	842268148	/nfs/dbraw/zinc/26/81/48/842268148.db2.gz	BUPOVMZRFPFTOU-LFGUQSLTSA-N	1	0	360.502	1.885	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3n[nH]c4c3CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001105636914	842269575	/nfs/dbraw/zinc/26/95/75/842269575.db2.gz	GNFZNKROVORBIM-PLOVASNDSA-N	1	0	370.497	1.501	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc4n(n3)CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001105632260	842279673	/nfs/dbraw/zinc/27/96/73/842279673.db2.gz	JZVZNNBUSQKXLR-XCJLJZCSSA-N	1	0	370.497	1.432	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCOCC3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105632482	842279707	/nfs/dbraw/zinc/27/97/07/842279707.db2.gz	LQWVHRQPSXWCAI-IZBJGVDFSA-N	1	0	350.503	1.955	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN(C)C(=O)C3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105634015	842283144	/nfs/dbraw/zinc/28/31/44/842283144.db2.gz	YTPGEKHEOCMFTH-HBXLWWENSA-N	1	0	363.502	1.007	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3ccon3)[C@H]2C(C)C)C[C@H]1O	ZINC001105642673	842309176	/nfs/dbraw/zinc/30/91/76/842309176.db2.gz	KYKLWAWTWYOKCY-JYBIWHBTSA-N	1	0	359.470	1.597	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3coc(OC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105643113	842328756	/nfs/dbraw/zinc/32/87/56/842328756.db2.gz	SXYQZXZBSCKQCI-RGPZOAQRSA-N	1	0	363.458	1.839	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(OC)ccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105645435	842394698	/nfs/dbraw/zinc/39/46/98/842394698.db2.gz	APOQKNVPYKGDQG-XCJLJZCSSA-N	1	0	371.481	1.693	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)cnn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105646600	842408901	/nfs/dbraw/zinc/40/89/01/842408901.db2.gz	KKGBJMLRXMGEPK-ZTRFORPCSA-N	1	0	358.486	1.332	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@H]1C(C)C	ZINC001105646650	842409197	/nfs/dbraw/zinc/40/91/97/842409197.db2.gz	KTKQFLHEAXKEQF-VURPSTOHSA-N	1	0	364.530	1.919	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCOCCO)C2)[C@H]1C(C)C	ZINC001105648322	842419491	/nfs/dbraw/zinc/41/94/91/842419491.db2.gz	XZOUPUCDUYBCKM-WOCWXWTJSA-N	1	0	368.518	1.174	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@H]1C(C)C	ZINC001105651377	842445551	/nfs/dbraw/zinc/44/55/51/842445551.db2.gz	GMSGOWPFEWVPQJ-LFGUQSLTSA-N	1	0	350.503	1.793	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc(C)n3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105653733	842464323	/nfs/dbraw/zinc/46/43/23/842464323.db2.gz	ZMFXVYVVHDYQHO-UIXUWTQFSA-N	1	0	358.486	1.332	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3cn[nH]c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105655699	842478994	/nfs/dbraw/zinc/47/89/94/842478994.db2.gz	JYGSSFZXJTXPMK-LFGUQSLTSA-N	1	0	358.486	1.332	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3ccc(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105656322	842492467	/nfs/dbraw/zinc/49/24/67/842492467.db2.gz	OXWUFWULHWXYMA-IZBJGVDFSA-N	1	0	358.486	1.181	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(CF)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105658983	842500308	/nfs/dbraw/zinc/50/03/08/842500308.db2.gz	LPPRXYURRJJMBQ-WWNBULGVSA-N	1	0	366.477	1.352	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C[C@H]2CCCC(=O)N2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088728847	842611042	/nfs/dbraw/zinc/61/10/42/842611042.db2.gz	CXMDRQAYJZHCIM-OLMNPRSZSA-N	1	0	354.454	1.696	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccc(CC)cc2)C[C@@H]1O	ZINC001083470975	842648714	/nfs/dbraw/zinc/64/87/14/842648714.db2.gz	XVRHSBVOCRDVBP-CGXNFDGLSA-N	1	0	372.509	1.934	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ncc[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105661056	842651247	/nfs/dbraw/zinc/65/12/47/842651247.db2.gz	DABGTFMZQUGPLL-YKCBXCCJSA-N	1	0	360.502	1.885	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@@H]1O	ZINC001083470866	842651318	/nfs/dbraw/zinc/65/13/18/842651318.db2.gz	RVNVGBKSBRSRCH-CGXNFDGLSA-N	1	0	370.493	1.818	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2cccc(CC#N)c2)CC1	ZINC000455902324	842667232	/nfs/dbraw/zinc/66/72/32/842667232.db2.gz	GNNVGVVYHZOPCM-QGZVFWFLSA-N	1	0	355.442	1.523	20	30		FDEDRO
CN(C(=O)COC(=O)COC1CC[NH+](C)CC1)C1(C#N)CCCCC1	ZINC000923795652	842702094	/nfs/dbraw/zinc/70/20/94/842702094.db2.gz	RTONLKSUVKOJSS-UHFFFAOYSA-N	1	0	351.447	1.325	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)NC(C)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105661429	842702101	/nfs/dbraw/zinc/70/21/01/842702101.db2.gz	IPUPNKLJVAATHB-PDOICOKGSA-N	1	0	365.518	1.443	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)n[nH]c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105661453	842712105	/nfs/dbraw/zinc/71/21/05/842712105.db2.gz	IUMHEBYWWQVSPB-CIWUYKSXSA-N	1	0	358.486	1.630	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCc3ccncc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105662005	842732360	/nfs/dbraw/zinc/73/23/60/842732360.db2.gz	LYUNHHIMSAANQQ-QCFAMHMHSA-N	1	0	371.481	1.198	20	30		FDEDRO
C=CCN1CC[C@@H](N2CC[C@H](NC(=O)c3ncc4ccccn43)[C@H]2C)C1=O	ZINC001088745986	842759461	/nfs/dbraw/zinc/75/94/61/842759461.db2.gz	DTSQAXWVZXNOTK-HYVNUMGLSA-N	1	0	367.453	1.314	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(C)CCOCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105662426	842759706	/nfs/dbraw/zinc/75/97/06/842759706.db2.gz	OQWHVLBBMPZVQF-NEYJZJCJSA-N	1	0	362.514	1.793	20	30		FDEDRO
Cn1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@H]32)ccc1=O	ZINC001075984815	843245636	/nfs/dbraw/zinc/24/56/36/843245636.db2.gz	WAMYODINCNWOLV-SUMWQHHRSA-N	1	0	368.462	1.665	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCCC(N)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105666766	843317388	/nfs/dbraw/zinc/31/73/88/843317388.db2.gz	JLUZUYNPOQQQOH-YKCBXCCJSA-N	1	0	363.502	1.022	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH]c(C)cc3=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105666880	843342706	/nfs/dbraw/zinc/34/27/06/843342706.db2.gz	KTJVFORELPEKOI-RBAQFSTRSA-N	1	0	371.481	1.286	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3nnc[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105667803	843704088	/nfs/dbraw/zinc/70/40/88/843704088.db2.gz	TYRIRENSLOASAK-VVWQDTPRSA-N	1	0	361.490	1.280	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC(N2C[C@H]([NH2+]Cc3cccc(C#N)n3)CC2=O)C1	ZINC000898528111	844819250	/nfs/dbraw/zinc/81/92/50/844819250.db2.gz	GHORBIQFIZPXJC-OAHLLOKOSA-N	1	0	371.441	1.263	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)c1	ZINC000898634831	844953475	/nfs/dbraw/zinc/95/34/75/844953475.db2.gz	AEQZWHJGMHHISO-UHFFFAOYSA-N	1	0	356.470	1.997	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1N(CCS(C)(=O)=O)CC2	ZINC000990734961	845383425	/nfs/dbraw/zinc/38/34/25/845383425.db2.gz	BKKINALUZURNSF-MUQADHOPSA-N	1	0	370.515	1.125	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@H]1C(C)C	ZINC001105674056	845416840	/nfs/dbraw/zinc/41/68/40/845416840.db2.gz	RYIKZKHVUMDAKL-PSBWJHGTSA-N	1	0	354.491	1.192	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3ccnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105673768	845425038	/nfs/dbraw/zinc/42/50/38/845425038.db2.gz	OVLYPWRFHADLOH-HNBVOPMISA-N	1	0	360.502	1.815	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3ccnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105673769	845425508	/nfs/dbraw/zinc/42/55/08/845425508.db2.gz	OVLYPWRFHADLOH-IZBJGVDFSA-N	1	0	360.502	1.815	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCOCC)C2)[C@H]1C(C)C	ZINC001105673975	845437929	/nfs/dbraw/zinc/43/79/29/845437929.db2.gz	RDOQJOGGMIHSOF-LFGUQSLTSA-N	1	0	368.518	1.582	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1[N@H+](CC(=O)NC1CC1)CC2	ZINC000990745945	845540321	/nfs/dbraw/zinc/54/03/21/845540321.db2.gz	ZQZMMENECXCNGA-NHAYFPRASA-N	1	0	361.486	1.359	20	30		FDEDRO
C#CC[C@H]1NC(=O)N(CCc2ccc(OCC[NH+]3CCCC3)cc2)C1=O	ZINC000842239652	845872795	/nfs/dbraw/zinc/87/27/95/845872795.db2.gz	HSWSTLSMDPYNKG-GOSISDBHSA-N	1	0	355.438	1.647	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)C[C@@H]1O	ZINC001083535760	846922561	/nfs/dbraw/zinc/92/25/61/846922561.db2.gz	KRIACEGETKSLKG-QYZOEREBSA-N	1	0	359.514	1.216	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnns1)C2	ZINC001112269998	847000994	/nfs/dbraw/zinc/00/09/94/847000994.db2.gz	UNCOVMPVYDEVEL-IGCXYCKISA-N	1	0	363.487	1.061	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1	ZINC000938197331	847011445	/nfs/dbraw/zinc/01/14/45/847011445.db2.gz	IGGZADPBWAFGGI-BZSNNMDCSA-N	1	0	363.502	1.417	20	30		FDEDRO
Cc1cc(CC(=O)N2CC[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@H]32)n(C)n1	ZINC001076036460	847124999	/nfs/dbraw/zinc/12/49/99/847124999.db2.gz	DYJSFTVOMDYTAD-PZJWPPBQSA-N	1	0	362.477	1.855	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4conc4CC)[C@@H]3C2)C1=O	ZINC001076217286	847570508	/nfs/dbraw/zinc/57/05/08/847570508.db2.gz	MUWHJWWGLDBOGC-RRQGHBQHSA-N	1	0	358.442	1.170	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccn(C)c4CC)[C@@H]3C2)C1=O	ZINC001076242635	847666069	/nfs/dbraw/zinc/66/60/69/847666069.db2.gz	MANFMFYIOGVSKV-ZYSHUDEJSA-N	1	0	370.497	1.521	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(C)[nH]c4=O)[C@@H]3C2)C1=O	ZINC001076291762	847755321	/nfs/dbraw/zinc/75/53/21/847755321.db2.gz	JRSXAZBRVTVNND-USXIJHARSA-N	1	0	370.453	1.029	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4ccnnc4)[C@@H]3C2)cc1	ZINC001076282857	847765195	/nfs/dbraw/zinc/76/51/95/847765195.db2.gz	PUPKNKMGIHUINE-PKOBYXMFSA-N	1	0	363.421	1.725	20	30		FDEDRO
CCn1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)nn1	ZINC001076410735	848073641	/nfs/dbraw/zinc/07/36/41/848073641.db2.gz	AHDQLXOCWVJMAC-FUHWJXTLSA-N	1	0	350.426	1.516	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN([C@H](C)c4nnc(C)o4)C[C@H]32)cn1	ZINC001076477000	848241597	/nfs/dbraw/zinc/24/15/97/848241597.db2.gz	LMVIIQMPDYPISC-ISTRZQFTSA-N	1	0	351.410	1.662	20	30		FDEDRO
CC(=O)N1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)C1	ZINC001076508536	848285984	/nfs/dbraw/zinc/28/59/84/848285984.db2.gz	ZMHGBFRXQCUXEQ-XUVXKRRUSA-N	1	0	366.465	1.459	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(CC)C3=O)C[C@H]21	ZINC001076504648	848303670	/nfs/dbraw/zinc/30/36/70/848303670.db2.gz	KTXXFDFCKAVPGN-SLFFLAALSA-N	1	0	365.477	1.364	20	30		FDEDRO
N#Cc1cc(CN2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)ccc1F	ZINC001076572577	848445773	/nfs/dbraw/zinc/44/57/73/848445773.db2.gz	BVAYFFBDFPUCMA-QFBILLFUSA-N	1	0	356.445	1.826	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(Cc4conc4C)C[C@H]32)CC1	ZINC001076604711	848554685	/nfs/dbraw/zinc/55/46/85/848554685.db2.gz	SHWZDADFYCMHTF-PKOBYXMFSA-N	1	0	356.470	1.361	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN([C@@H](C)c4nnc(C)[nH]4)C[C@H]32)CC1	ZINC001076605495	848556128	/nfs/dbraw/zinc/55/61/28/848556128.db2.gz	CQKGERNZPIDGQC-JCGIZDLHSA-N	1	0	370.501	1.052	20	30		FDEDRO
CCc1ccc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)cc1	ZINC001076855722	849214209	/nfs/dbraw/zinc/21/42/09/849214209.db2.gz	JRYSKNZUNGYOSZ-RTBURBONSA-N	1	0	352.438	1.466	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1O	ZINC001077131817	849859881	/nfs/dbraw/zinc/85/98/81/849859881.db2.gz	LWHDSRMCNQUQAC-VAMGGRTRSA-N	1	0	370.497	1.482	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2N(C)C)C[C@H]1O	ZINC001077133301	849883222	/nfs/dbraw/zinc/88/32/22/849883222.db2.gz	LAPIDKJGMPVBNI-YLJYHZDGSA-N	1	0	368.481	1.715	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(C)cc(C)c2)C[C@H]1O	ZINC001077158657	849953212	/nfs/dbraw/zinc/95/32/12/849953212.db2.gz	QAJMEFKISPNIQR-HSALFYBXSA-N	1	0	355.482	1.062	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COc3ccc(Cl)cc32)C1	ZINC001077387880	850776240	/nfs/dbraw/zinc/77/62/40/850776240.db2.gz	BIUKMKJHRMZUFI-ARFHVFGLSA-N	1	0	350.846	1.944	20	30		FDEDRO
C=CCN(CCOC)CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2	ZINC000484679576	851041703	/nfs/dbraw/zinc/04/17/03/851041703.db2.gz	NHSFKLIIDFCERD-UHFFFAOYSA-N	1	0	363.414	1.630	20	30		FDEDRO
COC[C@H]1C[NH2+]CCN1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000904411052	851202701	/nfs/dbraw/zinc/20/27/01/851202701.db2.gz	IYOAGNAEUCAFEJ-GFCCVEGCSA-N	1	0	358.377	1.335	20	30		FDEDRO
COC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000904470480	851247517	/nfs/dbraw/zinc/24/75/17/851247517.db2.gz	XTZHHJGWLPATJX-LBPRGKRZSA-N	1	0	358.320	1.909	20	30		FDEDRO
N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc(=O)n(Cc2cccc(F)c2)c1	ZINC000904608402	851310017	/nfs/dbraw/zinc/31/00/17/851310017.db2.gz	YPWGCHSGFGVKLY-CJNGLKHVSA-N	1	0	355.373	1.269	20	30		FDEDRO
C=CCN1CCC([NH2+]C[C@H](O)CC2(O)CCC(C(=O)OCC)CC2)CC1	ZINC000905093672	851677040	/nfs/dbraw/zinc/67/70/40/851677040.db2.gz	AHKOEGMIYOASGI-KGXSXCIVSA-N	1	0	368.518	1.462	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)CC1CC[NH2+]CC1	ZINC000905336095	851869679	/nfs/dbraw/zinc/86/96/79/851869679.db2.gz	UAXQWQLFYODKPH-UHFFFAOYSA-N	1	0	353.444	1.912	20	30		FDEDRO
Cc1nn(Cc2ccc(C(=O)NCC#CC[NH+](C)C)cc2)c(C)c1[N+](=O)[O-]	ZINC000913516069	862297399	/nfs/dbraw/zinc/29/73/99/862297399.db2.gz	ZQAYDHJVTFCAMF-UHFFFAOYSA-N	1	0	369.425	1.751	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1cnn(-c2ccccn2)c1C(F)(F)F	ZINC000913516686	862298954	/nfs/dbraw/zinc/29/89/54/862298954.db2.gz	ADQWQHJVBSGJDZ-UHFFFAOYSA-N	1	0	351.332	1.581	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCC2(CCOCC2)CO1	ZINC000905425965	851932710	/nfs/dbraw/zinc/93/27/10/851932710.db2.gz	RIBWQKUAEMMDBQ-ZWKOTPCHSA-N	1	0	360.454	1.863	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1cc(Br)c2c(c1)OCCO2	ZINC000913517960	862301492	/nfs/dbraw/zinc/30/14/92/862301492.db2.gz	XLFJCDPWVMJDBH-UHFFFAOYSA-N	1	0	353.216	1.515	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1	ZINC000913519155	862302664	/nfs/dbraw/zinc/30/26/64/862302664.db2.gz	PXKRQAIOXJUQOQ-UHFFFAOYSA-N	1	0	370.474	1.955	20	30		FDEDRO
C=C(C)C[C@@H](CO)[NH2+]C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1	ZINC000905454159	851957817	/nfs/dbraw/zinc/95/78/17/851957817.db2.gz	RRPRSOPUEAAJJC-HKUYNNGSSA-N	1	0	363.502	1.095	20	30		FDEDRO
C#CCN1CCC[C@@H]([NH2+]C[C@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000905460582	851962675	/nfs/dbraw/zinc/96/26/75/851962675.db2.gz	NEYZURPEPHGKEY-MSOLQXFVSA-N	1	0	365.518	1.682	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F	ZINC000913520009	862304224	/nfs/dbraw/zinc/30/42/24/862304224.db2.gz	YIWSAULSRCCIMI-UHFFFAOYSA-N	1	0	368.306	1.127	20	30		FDEDRO
C[C@@H]1C[C@@]2(CC[C@H](C[NH2+]CCS(=O)(=O)c3cccc(C#N)c3)O2)CO1	ZINC000905487491	851988177	/nfs/dbraw/zinc/98/81/77/851988177.db2.gz	SXFIZLDNJMJUMT-KYJSFNMBSA-N	1	0	364.467	1.648	20	30		FDEDRO
COc1ccc(Cn2cc(C(=O)NCC#CC[NH+](C)C)cn2)cc1OC	ZINC000913521097	862307183	/nfs/dbraw/zinc/30/71/83/862307183.db2.gz	KRAPAXZYGSXGTD-UHFFFAOYSA-N	1	0	356.426	1.243	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC3(CCOCC3)O2)cc1	ZINC000905596055	852086819	/nfs/dbraw/zinc/08/68/19/852086819.db2.gz	POCUUWIGRZOPLF-PKOBYXMFSA-N	1	0	360.454	1.810	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C	ZINC000905655852	852123016	/nfs/dbraw/zinc/12/30/16/852123016.db2.gz	SAMRAKRBHKQGRG-CABCVRRESA-N	1	0	354.495	1.428	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCOC2CCSCC2)cc1	ZINC000905706848	852195033	/nfs/dbraw/zinc/19/50/33/852195033.db2.gz	WCMKMDXKCCNDPG-UHFFFAOYSA-N	1	0	354.497	1.834	20	30		FDEDRO
C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC1CC[NH+](CCOC)CC1	ZINC000485418088	852220355	/nfs/dbraw/zinc/22/03/55/852220355.db2.gz	YLPALHGDRVGMJB-UHFFFAOYSA-N	1	0	365.474	1.970	20	30		FDEDRO
COc1ncc(NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)cc1C#N	ZINC000906146640	852646739	/nfs/dbraw/zinc/64/67/39/852646739.db2.gz	BTMZMWFJBANVRB-HOTGVXAUSA-N	1	0	354.414	1.369	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc2n(n1)CCCC2=O	ZINC000906441722	852874164	/nfs/dbraw/zinc/87/41/64/852874164.db2.gz	XYDUISYAALBTGO-UHFFFAOYSA-N	1	0	365.437	1.935	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@H]2[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)CC1	ZINC000906601309	853070349	/nfs/dbraw/zinc/07/03/49/853070349.db2.gz	PXJSBVWMXNCRCE-ILXRZTDVSA-N	1	0	362.474	1.594	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)cc1C#N	ZINC000906764534	853282340	/nfs/dbraw/zinc/28/23/40/853282340.db2.gz	DDUQJDWRWTZAFH-LJQANCHMSA-N	1	0	356.426	1.638	20	30		FDEDRO
C[NH+](C)C1(CNS(=O)(=O)c2ccc(C#N)cn2)Cc2ccccc2C1	ZINC000906982701	853636156	/nfs/dbraw/zinc/63/61/56/853636156.db2.gz	ZYRCRMLZDLVSMR-UHFFFAOYSA-N	1	0	356.451	1.331	20	30		FDEDRO
O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(C#CCO)c1	ZINC000907291061	854032316	/nfs/dbraw/zinc/03/23/16/854032316.db2.gz	HRIMSSKYSNNJPO-NRFANRHFSA-N	1	0	364.445	1.527	20	30		FDEDRO
COc1ccc2c(c1)CCC[C@H]2CNC(=[NH2+])NCCCN1CCOCC1	ZINC000164300403	862526915	/nfs/dbraw/zinc/52/69/15/862526915.db2.gz	UOWNKNAVPWLWJX-KRWDZBQOSA-N	1	0	360.502	1.742	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000907345852	854065606	/nfs/dbraw/zinc/06/56/06/854065606.db2.gz	ZJTVPXWYKYSDMY-KRWDZBQOSA-N	1	0	365.499	1.441	20	30		FDEDRO
C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC1CCC(Oc2ncccc2C#N)CC1	ZINC000907615029	854459711	/nfs/dbraw/zinc/45/97/11/854459711.db2.gz	PUASGFZTPXDCJM-LEPAWZOPSA-N	1	0	358.442	1.215	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N[C@H](C)CCNS(=O)(=O)c1ccccc1	ZINC000908061193	854939401	/nfs/dbraw/zinc/93/94/01/854939401.db2.gz	HTSMXCQJHYMFPE-OAHLLOKOSA-N	1	0	353.488	1.368	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)CC2)c1C#N	ZINC000908284332	855266977	/nfs/dbraw/zinc/26/69/77/855266977.db2.gz	CFJVBUDXQYCMNK-GDBMZVCRSA-N	1	0	359.499	1.989	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H](C)n1cnc2c1ncnc2N)C(C)C	ZINC000668683336	855430233	/nfs/dbraw/zinc/43/02/33/855430233.db2.gz	VGTYCWSDDZHMFJ-LSDHHAIUSA-N	1	0	371.489	1.784	20	30		FDEDRO
CN(C)c1ccc([C@H](CNS(=O)(=O)CC2(C#N)CC2)[NH+](C)C)cc1	ZINC000908459725	855444817	/nfs/dbraw/zinc/44/48/17/855444817.db2.gz	IMMPPNOMLIACRX-INIZCTEOSA-N	1	0	350.488	1.578	20	30		FDEDRO
C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@@H+](C)C(C)(C)C1	ZINC000908655058	855659815	/nfs/dbraw/zinc/65/98/15/855659815.db2.gz	MVTZNRQCYZEZPP-UHFFFAOYSA-N	1	0	355.446	1.642	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1	ZINC000668714826	855721516	/nfs/dbraw/zinc/72/15/16/855721516.db2.gz	GCGARZQHWORBRU-FQEVSTJZSA-N	1	0	373.497	1.730	20	30		FDEDRO
C=CCCCCC[NH+]1CC(OC2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1	ZINC001105724764	862717208	/nfs/dbraw/zinc/71/72/08/862717208.db2.gz	RJBXZEMBJVUFLU-MSOLQXFVSA-N	1	0	363.502	1.546	20	30		FDEDRO
COCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1	ZINC000909125354	856185818	/nfs/dbraw/zinc/18/58/18/856185818.db2.gz	GSLRNXCAPKFWDB-FXAWDEMLSA-N	1	0	366.469	1.851	20	30		FDEDRO
N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCC(=O)NCC[NH+]2CCCCC2)c1	ZINC000909316267	856397245	/nfs/dbraw/zinc/39/72/45/856397245.db2.gz	UZOCBGDLGOJFLD-ZWKOTPCHSA-N	1	0	354.454	1.380	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](CCOC(C)C)CC2)C1	ZINC000669288746	862819535	/nfs/dbraw/zinc/81/95/35/862819535.db2.gz	OGNHXEJIONWBRH-KRWDZBQOSA-N	1	0	365.518	1.807	20	30		FDEDRO
CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N(C)Cc2ccc(C#N)cc2)CC1	ZINC000910567809	857327335	/nfs/dbraw/zinc/32/73/35/857327335.db2.gz	JWWPIAUJBRTHCX-UHFFFAOYSA-N	1	0	368.481	1.994	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCC(F)(F)c2ccc(F)cc2)CC1	ZINC000668836322	857522358	/nfs/dbraw/zinc/52/23/58/857522358.db2.gz	WHCZXYZSXTVJCJ-UHFFFAOYSA-N	1	0	369.387	1.800	20	30		FDEDRO
C#CCN(C)C(=O)C(=O)N(C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000910808911	857734458	/nfs/dbraw/zinc/73/44/58/857734458.db2.gz	FAONGXQJPNTEPW-CALCHBBNSA-N	1	0	371.481	1.346	20	30		FDEDRO
CC(C)[N@H+](CCO)CC1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1	ZINC000910864314	857798434	/nfs/dbraw/zinc/79/84/34/857798434.db2.gz	IWZHMXBIKVHOEJ-UHFFFAOYSA-N	1	0	372.465	1.708	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)N(C(=O)[C@@H]1CCC[NH2+]C1)c1ccccc1OC	ZINC000910865520	857800542	/nfs/dbraw/zinc/80/05/42/857800542.db2.gz	HPTPEELGCMTHMG-OAHLLOKOSA-N	1	0	373.453	1.589	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CC[C@H](c2ccccc2F)C1)C1CC[NH+](C)CC1	ZINC000910884791	857834626	/nfs/dbraw/zinc/83/46/26/857834626.db2.gz	DPHPQSVHFWRPFY-INIZCTEOSA-N	1	0	371.456	1.698	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1	ZINC000911077115	858120093	/nfs/dbraw/zinc/12/00/93/858120093.db2.gz	CIESOIFWKLAFAW-NXHRZFHOSA-N	1	0	362.518	1.275	20	30		FDEDRO
C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1	ZINC000669333563	862996262	/nfs/dbraw/zinc/99/62/62/862996262.db2.gz	QUVGBJLFNRJIQK-HNNXBMFYSA-N	1	0	356.478	1.714	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@@H](C(N)=O)C1	ZINC000669336586	863012077	/nfs/dbraw/zinc/01/20/77/863012077.db2.gz	MYHNBHULMVBMGB-OAGGEKHMSA-N	1	0	374.489	1.092	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCCCCN1CC[NH2+]CC1	ZINC000911435157	858616364	/nfs/dbraw/zinc/61/63/64/858616364.db2.gz	CZGVNVLSRWQCMI-QZTJIDSGSA-N	1	0	364.534	1.429	20	30		FDEDRO
N#Cc1ncn(CC(=O)N[C@@H]2c3ccccc3CC[C@H]2[NH+]2CCCC2)n1	ZINC000911569238	858791987	/nfs/dbraw/zinc/79/19/87/858791987.db2.gz	PTEGJPHNODGOTK-VQIMIIECSA-N	1	0	350.426	1.418	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccnc(OC(C)C)c2)C[C@H]1C	ZINC001106863711	881369128	/nfs/dbraw/zinc/36/91/28/881369128.db2.gz	CWMQWVJRRYRTHR-SJLPKXTDSA-N	1	0	359.470	1.816	20	30		FDEDRO
CN1C(=O)CCC[C@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000911922235	859112192	/nfs/dbraw/zinc/11/21/92/859112192.db2.gz	USXVELTWVWVEAT-SFHVURJKSA-N	1	0	354.454	1.650	20	30		FDEDRO
C#CC[NH2+]CC(=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1	ZINC000912364865	859680152	/nfs/dbraw/zinc/68/01/52/859680152.db2.gz	NKOKWKOURJGKGY-OAHLLOKOSA-N	1	0	367.371	1.708	20	30		FDEDRO
N#CCOc1ccc(CN2C[C@@H](NC(=O)C[C@@H]3C[C@H]3C3CC3)[C@@H](O)C2)cc1	ZINC001083654822	859873276	/nfs/dbraw/zinc/87/32/76/859873276.db2.gz	ILEVYICZTCUMBS-FFGOWVMKSA-N	1	0	369.465	1.686	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCO[C@@H](C2CC2)C1	ZINC000669034103	860855404	/nfs/dbraw/zinc/85/54/04/860855404.db2.gz	IEQXPFUJXKIEEW-ZACQAIPSSA-N	1	0	359.474	1.615	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CCC[C@@H](C#N)C2)c1	ZINC000916435312	881630903	/nfs/dbraw/zinc/63/09/03/881630903.db2.gz	GYCDLOTYAYCVDO-INIZCTEOSA-N	1	0	357.458	1.423	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC=CCC2)C[C@H]1C	ZINC001105814284	863346791	/nfs/dbraw/zinc/34/67/91/863346791.db2.gz	DTUXCQITZOGOHA-BZUAXINKSA-N	1	0	362.474	1.039	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C)c1nc(C2CC2)no1	ZINC001105850655	863489187	/nfs/dbraw/zinc/48/91/87/863489187.db2.gz	SHKMADYDVUZDDJ-YRGRVCCFSA-N	1	0	363.487	1.949	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]CCOC[C@@H]1CCCO1	ZINC001105848011	863492725	/nfs/dbraw/zinc/49/27/25/863492725.db2.gz	NOEXQRBGCAVSCK-OAGGEKHMSA-N	1	0	355.504	1.123	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cnsn2)C[C@H]1C	ZINC001105870399	863567481	/nfs/dbraw/zinc/56/74/81/863567481.db2.gz	GBZDEWGNPHLTPR-ZIAGYGMSSA-N	1	0	365.503	1.260	20	30		FDEDRO
C=C(C)Cn1c(-c2ncccn2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000669459286	863633339	/nfs/dbraw/zinc/63/33/39/863633339.db2.gz	DWJSVIDUXCNRCS-MRXNPFEDSA-N	1	0	369.473	1.612	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)OC)C[C@H]2C)c1	ZINC001105884279	863642200	/nfs/dbraw/zinc/64/22/00/863642200.db2.gz	ZCILRLUCGXKQHD-BFYDXBDKSA-N	1	0	357.454	1.325	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CNc2cncc(C#N)n2)CC[N@@H+]1C	ZINC001060315846	863763489	/nfs/dbraw/zinc/76/34/89/863763489.db2.gz	DZVSHVYSMTYOCY-YESZJQIVSA-N	1	0	356.474	1.872	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2c(C)nnn2CC)[C@H](C)C1	ZINC001105915266	863973958	/nfs/dbraw/zinc/97/39/58/863973958.db2.gz	ZDPITJPHLNBJCE-HYVNUMGLSA-N	1	0	363.506	1.772	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)(C)CC)[C@H](C)C1	ZINC001105915240	863974054	/nfs/dbraw/zinc/97/40/54/863974054.db2.gz	XTVCLBQBYKCSAR-BRWVUGGUSA-N	1	0	367.534	1.957	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)COC2CCOCC2)[C@H](C)C1	ZINC001105923027	864029448	/nfs/dbraw/zinc/02/94/48/864029448.db2.gz	JGCJMRMFDSMDTG-ZACQAIPSSA-N	1	0	354.491	1.193	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2c(C)nn(C)c2C)[C@H](C)C1	ZINC001105923143	864031345	/nfs/dbraw/zinc/03/13/45/864031345.db2.gz	NYYNNNIQCXQZAF-CZUORRHYSA-N	1	0	361.490	1.626	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2cnnn2-c2ccccc2)[C@H](C)C1	ZINC001105941684	864150138	/nfs/dbraw/zinc/15/01/38/864150138.db2.gz	IAKFFHOBILLREK-IAGOWNOFSA-N	1	0	369.469	1.654	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2nc(COC)no2)[C@H](C)C1	ZINC001105941709	864150261	/nfs/dbraw/zinc/15/02/61/864150261.db2.gz	ISSALPJPSGYBRH-HZSPNIEDSA-N	1	0	352.435	1.164	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+][C@H]2CCN(C(C)(C)C)C2=O)[C@H](C)C1	ZINC001105941641	864150301	/nfs/dbraw/zinc/15/03/01/864150301.db2.gz	GEHGHJHXZAEFDV-OAGGEKHMSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2cc(C#N)ccc2OC)[C@H](C)C1	ZINC001105942896	864163386	/nfs/dbraw/zinc/16/33/86/864163386.db2.gz	PDDDGDWBGDTEHX-CRAIPNDOSA-N	1	0	357.454	1.954	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]CCc2ccc3c(c2)OCCO3)[C@H](C)C1	ZINC001105946707	864191577	/nfs/dbraw/zinc/19/15/77/864191577.db2.gz	ZEABGJLDUQVNGK-ZMSDIMECSA-N	1	0	357.454	1.844	20	30		FDEDRO
CC(C)CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C	ZINC001105951526	864210618	/nfs/dbraw/zinc/21/06/18/864210618.db2.gz	FYISIRNUMCDVBS-BRWVUGGUSA-N	1	0	366.506	1.009	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1C	ZINC001105970008	864267220	/nfs/dbraw/zinc/26/72/20/864267220.db2.gz	VYVKIEXGTKLJQS-HZPDHXFCSA-N	1	0	361.490	1.061	20	30		FDEDRO
CCN(CC)C(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC001105989355	864383685	/nfs/dbraw/zinc/38/36/85/864383685.db2.gz	ZGCCWZDHLXFUFO-IJEWVQPXSA-N	1	0	359.474	1.441	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2cccnc2)C[C@H]1C	ZINC001106008281	864594786	/nfs/dbraw/zinc/59/47/86/864594786.db2.gz	NBGSDYBPXIYQTN-SJLPKXTDSA-N	1	0	371.485	1.070	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]CC(=O)NC1CCCCC1	ZINC001106017450	864642403	/nfs/dbraw/zinc/64/24/03/864642403.db2.gz	KRBSENPSYHPXKW-HUUCEWRRSA-N	1	0	371.485	1.633	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]CC(=O)N1CCCCCC1	ZINC001106024197	864783439	/nfs/dbraw/zinc/78/34/39/864783439.db2.gz	BRKGPXFKYRJMRC-NVXWUHKLSA-N	1	0	371.485	1.587	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(F)(F)F)[C@H](C)C1	ZINC001106025755	864814397	/nfs/dbraw/zinc/81/43/97/864814397.db2.gz	GPJOMGFMDSDMEA-ZIAGYGMSSA-N	1	0	361.408	1.543	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088861739	864826897	/nfs/dbraw/zinc/82/68/97/864826897.db2.gz	XTBQBZIXGLCRPE-RNJTYBCJSA-N	1	0	354.454	1.362	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C)C(=O)NC1CCCC1	ZINC001106028984	864875445	/nfs/dbraw/zinc/87/54/45/864875445.db2.gz	CSYPFAFKHJJQLP-IJEWVQPXSA-N	1	0	371.485	1.631	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]CCOCc2ccccc2)[C@H](C)C1	ZINC001106034490	864912493	/nfs/dbraw/zinc/91/24/93/864912493.db2.gz	FQEHGNGQIOQYSB-IEBWSBKVSA-N	1	0	371.481	1.027	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2cc(C)ccc2F)[C@H](C)C1	ZINC001106034475	864912623	/nfs/dbraw/zinc/91/26/23/864912623.db2.gz	FCMPSACHIWBUSO-NVXWUHKLSA-N	1	0	359.445	1.458	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CC(C)C)[C@H](C)C1	ZINC001106059432	865070293	/nfs/dbraw/zinc/07/02/93/865070293.db2.gz	UXHKXLRKELSKPF-GPMSIDNRSA-N	1	0	363.506	1.445	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC[N@@H+](C)C2)cc1	ZINC001004879324	881836046	/nfs/dbraw/zinc/83/60/46/881836046.db2.gz	JAJSNKKLUJYMJD-MKXGPGLRSA-N	1	0	351.450	1.481	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1	ZINC000163036880	881864013	/nfs/dbraw/zinc/86/40/13/881864013.db2.gz	ATHNLRCLJVHEOT-CQSZACIVSA-N	1	0	360.389	1.363	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](CCc3ccns3)[C@@H]2C)nn1	ZINC001088911533	865392894	/nfs/dbraw/zinc/39/28/94/865392894.db2.gz	WRCBZEZCZDPMBN-HIFRSBDPSA-N	1	0	360.487	1.746	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1	ZINC000991894543	865446444	/nfs/dbraw/zinc/44/64/44/865446444.db2.gz	OZVQJQICHVBSSD-KSZLIROESA-N	1	0	361.486	1.027	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CC(C)(C)C2)C[C@H]1C	ZINC001106075928	865469811	/nfs/dbraw/zinc/46/98/11/865469811.db2.gz	PFQCIKWRWFTISV-NVXWUHKLSA-N	1	0	362.518	1.869	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+](CCc2ccnn2C)[C@@H]1C	ZINC001088969355	865792967	/nfs/dbraw/zinc/79/29/67/865792967.db2.gz	TYFVBXJBJVYCFE-WBVHZDCISA-N	1	0	369.469	1.815	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3n[nH]nc3C2)CCN1Cc1ccccc1C#N	ZINC001088977500	865883529	/nfs/dbraw/zinc/88/35/29/865883529.db2.gz	CDTAWQYAZKAXAX-KEYYUXOJSA-N	1	0	364.453	1.560	20	30		FDEDRO
COCOc1cnc(NC(=N)c2nccc(OC)n2)cc1C=C[NH+](C)C	ZINC001168422889	865938188	/nfs/dbraw/zinc/93/81/88/865938188.db2.gz	VRPWASUPPZXNNL-SOFGYWHQSA-N	1	0	358.402	1.432	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCn3nc(C)nc3C)[C@@H]2C)cn1	ZINC001088991229	865957240	/nfs/dbraw/zinc/95/72/40/865957240.db2.gz	PBNPNMGCKKQUNE-ACJLOTCBSA-N	1	0	352.442	1.164	20	30		FDEDRO
COCCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)cn1	ZINC001089009953	866072135	/nfs/dbraw/zinc/07/21/35/866072135.db2.gz	DAIRFTAREIMLCI-BEFAXECRSA-N	1	0	367.453	1.794	20	30		FDEDRO
CCN1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)C1	ZINC001089052963	866322124	/nfs/dbraw/zinc/32/21/24/866322124.db2.gz	GAHKIDQFBLGDJR-AYOQOUSVSA-N	1	0	356.470	1.358	20	30		FDEDRO
CCN1CCO[C@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)C1	ZINC001089053485	866332140	/nfs/dbraw/zinc/33/21/40/866332140.db2.gz	YPTLTCBGNGIICN-MNEFBYGVSA-N	1	0	356.470	1.358	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@H](OC)C1	ZINC000946770639	881979349	/nfs/dbraw/zinc/97/93/49/881979349.db2.gz	QGLLTVPUGNFNEF-ARFHVFGLSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1	ZINC000992075080	867702009	/nfs/dbraw/zinc/70/20/09/867702009.db2.gz	SOELFPONYQDUIZ-FGTMMUONSA-N	1	0	361.486	1.169	20	30		FDEDRO
C[C@H]1C[C@H](C)CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000459926934	867927908	/nfs/dbraw/zinc/92/79/08/867927908.db2.gz	KSORQNZCNITGFU-IRXDYDNUSA-N	1	0	370.497	1.953	20	30		FDEDRO
COc1cc(CNC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)ccc1C#N	ZINC000462475209	867993994	/nfs/dbraw/zinc/99/39/94/867993994.db2.gz	OVCKKAZVPWMBDL-QGZVFWFLSA-N	1	0	360.458	1.459	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2C)c1	ZINC001106099376	868049144	/nfs/dbraw/zinc/04/91/44/868049144.db2.gz	GTVBNIQNRUIVOV-IEBWSBKVSA-N	1	0	365.477	1.950	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]CCCS(=O)(=O)C(C)C)[C@H](C)C1	ZINC001106104723	868133205	/nfs/dbraw/zinc/13/32/05/868133205.db2.gz	CVHRETQTTLYRQX-IAGOWNOFSA-N	1	0	356.532	1.543	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2-c2ccccc2)[C@H](C)C1	ZINC001106105135	868136611	/nfs/dbraw/zinc/13/66/11/868136611.db2.gz	MYESLEAXTRYYTN-IAGOWNOFSA-N	1	0	366.469	1.506	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)Cc2ccco2)[C@H](C)C1	ZINC001106105294	868138189	/nfs/dbraw/zinc/13/81/89/868138189.db2.gz	QHEMXJJLYUMLRH-IAGOWNOFSA-N	1	0	359.470	1.582	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2nn(C)cc2C)C[C@H]1C	ZINC001106106143	868166805	/nfs/dbraw/zinc/16/68/05/868166805.db2.gz	KTKMXGTWMDRNET-ZWNOBZJWSA-N	1	0	355.280	1.935	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2nc(C(C)(C)C)no2)[C@H](C)C1	ZINC001106114611	868497968	/nfs/dbraw/zinc/49/79/68/868497968.db2.gz	FMDVCMGLDKUOIR-HUUCEWRRSA-N	1	0	362.474	1.591	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2nnc(C(C)C)n2C)[C@H](C)C1	ZINC001106115185	868515406	/nfs/dbraw/zinc/51/54/06/868515406.db2.gz	QTFYAQLBZKKRQS-HZPDHXFCSA-N	1	0	361.490	1.163	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(CC)s2)[C@H](C)C1	ZINC001106116791	868575602	/nfs/dbraw/zinc/57/56/02/868575602.db2.gz	NNCIKFBILNZWCP-MGPQQGTHSA-N	1	0	350.488	1.323	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2cc3n(n2)CCCC3)[C@H](C)C1	ZINC001106117378	868595610	/nfs/dbraw/zinc/59/56/10/868595610.db2.gz	ONKUSLRZVVYOGR-IAGOWNOFSA-N	1	0	358.486	1.443	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NCCCC)[C@H](C)C1	ZINC001106117617	868602220	/nfs/dbraw/zinc/60/22/20/868602220.db2.gz	VYIICGPJWKSXFF-BRWVUGGUSA-N	1	0	351.491	1.015	20	30		FDEDRO
COC(=O)[C@H]1CC[C@@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)O1	ZINC000464283674	868866153	/nfs/dbraw/zinc/86/61/53/868866153.db2.gz	GCIWQLUZTBXQAJ-DLBZAZTESA-N	1	0	371.437	1.382	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)N2CCCCC2=O)C[C@H]1C	ZINC001106124668	868920595	/nfs/dbraw/zinc/92/05/95/868920595.db2.gz	XRNDHVYLZAWLHN-FGTMMUONSA-N	1	0	363.502	1.111	20	30		FDEDRO
C=C(C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001061631195	882243792	/nfs/dbraw/zinc/24/37/92/882243792.db2.gz	OZVYZTIPCBUUCU-YESZJQIVSA-N	1	0	351.491	1.417	20	30		FDEDRO
CC[NH+](CC)C[C@H](C)NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000464806856	869030590	/nfs/dbraw/zinc/03/05/90/869030590.db2.gz	GKXQQTPMTOBUGR-LSDHHAIUSA-N	1	0	359.478	1.299	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC2CC(CNC(=O)[C@@H]3C[C@H]3CCC)C2)CC1	ZINC000992384160	869180861	/nfs/dbraw/zinc/18/08/61/869180861.db2.gz	YSSKAWJMSNCRKB-DZQINNCISA-N	1	0	359.514	1.779	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(CC)CC)C1	ZINC001112335185	869191491	/nfs/dbraw/zinc/19/14/91/869191491.db2.gz	YUTBJSNVOCIRCB-DBVUQKKJSA-N	1	0	365.518	1.400	20	30		FDEDRO
C=C1CC(C)(C(=O)NC2CC(CNC(=O)[C@@H]3C[C@H]3c3cncn3C)C2)C1	ZINC000992418388	869294290	/nfs/dbraw/zinc/29/42/90/869294290.db2.gz	VMOJOGRSYOBDSA-QDIHITRGSA-N	1	0	356.470	1.891	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC(NC(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000992418179	869294612	/nfs/dbraw/zinc/29/46/12/869294612.db2.gz	FXFPBWAYWJPLHH-OWDOZIACSA-N	1	0	368.437	1.550	20	30		FDEDRO
C#CCN(C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)C(C)C	ZINC000916759360	882381403	/nfs/dbraw/zinc/38/14/03/882381403.db2.gz	KRFJRYGIXWHHNI-UHFFFAOYSA-N	1	0	358.490	1.432	20	30		FDEDRO
C#CCN(C(=O)NCCc1ccc(C(=O)OC)cc1)C1CC[NH+](C)CC1	ZINC000913987086	870235701	/nfs/dbraw/zinc/23/57/01/870235701.db2.gz	PENAXPWZPIDPMN-UHFFFAOYSA-N	1	0	357.454	1.755	20	30		FDEDRO
C#CCN(C(=O)NCc1cccc(NC(=O)COC)c1)C1CC[NH+](C)CC1	ZINC000914014121	870346890	/nfs/dbraw/zinc/34/68/90/870346890.db2.gz	NRHGTFAYLSZWEB-UHFFFAOYSA-N	1	0	372.469	1.511	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccc(-n3nc(C)cc3C)nc2)CC1	ZINC000914058487	870506916	/nfs/dbraw/zinc/50/69/16/870506916.db2.gz	XHAZBAOIMMIWNT-UHFFFAOYSA-N	1	0	366.469	1.781	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2cnccn2)[C@@H](n2ccnn2)C1	ZINC001128641956	882465017	/nfs/dbraw/zinc/46/50/17/882465017.db2.gz	ALTRFKWKLRMAKE-SJORKVTESA-N	1	0	357.462	1.694	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2C[C@H]2c2ccccc2)C[C@H]1C	ZINC001106140416	871068939	/nfs/dbraw/zinc/06/89/39/871068939.db2.gz	UOMYPAGVTFWWRW-MDNKFWRPSA-N	1	0	367.493	1.614	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[C@H]2CCCCO2)C[C@H]1C	ZINC001106143130	871302797	/nfs/dbraw/zinc/30/27/97/871302797.db2.gz	RNIZRNYDDYCYMM-BRWVUGGUSA-N	1	0	363.502	1.015	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C(C)C)[C@H](C)C1	ZINC001106146482	871401998	/nfs/dbraw/zinc/40/19/98/871401998.db2.gz	DJUIDMLETSKBID-TVFCKZIOSA-N	1	0	365.518	1.519	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCc2ccnn2C)[C@H](C)C1	ZINC001106147373	871403453	/nfs/dbraw/zinc/40/34/53/871403453.db2.gz	ZCKSFIRRHVWKGM-RWQQGDIJSA-N	1	0	360.502	1.628	20	30		FDEDRO
CCn1ncc(Cl)c1C(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1	ZINC001106172389	871589424	/nfs/dbraw/zinc/58/94/24/871589424.db2.gz	ARPWVXRGLWBIJJ-ZIAGYGMSSA-N	1	0	352.866	1.504	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2nc(C)cc2C(F)F)C[C@H]1C	ZINC001106176963	871609055	/nfs/dbraw/zinc/60/90/55/871609055.db2.gz	HFAHAQCAVAOVPT-UKRRQHHQSA-N	1	0	368.428	1.463	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1	ZINC000922081156	871885107	/nfs/dbraw/zinc/88/51/07/871885107.db2.gz	JBLLTQVWDJGEAT-SWLSCSKDSA-N	1	0	356.879	1.623	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2(NC(C)=O)CCCCC2)[C@H](OC)C1	ZINC001212481583	871912444	/nfs/dbraw/zinc/91/24/44/871912444.db2.gz	XVNREONZVLMRTM-IAGOWNOFSA-N	1	0	351.491	1.607	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)Cc1csc(C#N)c1	ZINC000914275367	872159307	/nfs/dbraw/zinc/15/93/07/872159307.db2.gz	NVCVXFWOYOAFMV-VNQPRFMTSA-N	1	0	369.512	1.633	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnc(C3CC3)[nH]c1=O)C2	ZINC001112541513	872696616	/nfs/dbraw/zinc/69/66/16/872696616.db2.gz	AUSHHXINWPAFDF-YWZLYKJASA-N	1	0	354.454	1.915	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2csc(NC(C)=O)n2)[C@H](OC)C1	ZINC001212502685	872724964	/nfs/dbraw/zinc/72/49/64/872724964.db2.gz	LMZGHWBMXNWCLN-UXIGCNINSA-N	1	0	366.487	1.885	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(CNC(=O)C23CCC[NH+]2CCC3)C1	ZINC001003301464	873034002	/nfs/dbraw/zinc/03/40/02/873034002.db2.gz	KQHBVYZEMUXBCE-SJORKVTESA-N	1	0	361.486	1.171	20	30		FDEDRO
C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1CN(C(=O)[C@@H]1CCCc3nc[nH]c31)C2	ZINC000992894152	873103245	/nfs/dbraw/zinc/10/32/45/873103245.db2.gz	CBEQOWVMNMPKTA-GCKMJXCFSA-N	1	0	366.465	1.550	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)/C=C/C2CC2)CC1	ZINC001003364083	873218772	/nfs/dbraw/zinc/21/87/72/873218772.db2.gz	XFNLOXJPPZCUKO-UVPVHDQKSA-N	1	0	355.482	1.546	20	30		FDEDRO
N#Cc1cnc(NCC2(CCNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC2)cn1	ZINC001090009609	873484127	/nfs/dbraw/zinc/48/41/27/873484127.db2.gz	HXRUQNKWWJNDOH-ZIAGYGMSSA-N	1	0	351.414	1.573	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@H]1CC[N@@H+](C)C1	ZINC001003502590	873612523	/nfs/dbraw/zinc/61/25/23/873612523.db2.gz	BVBRSBIZUKQHID-TVFCKZIOSA-N	1	0	370.497	1.878	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)CC(C)C)C[C@@]3(C)C2)CC1	ZINC000993018064	873695732	/nfs/dbraw/zinc/69/57/32/873695732.db2.gz	FGXYAXCAPZQRRH-NQIIRXRSSA-N	1	0	359.514	1.685	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)C(C)(F)F)C[C@@]3(C)C2)CC1	ZINC000993019640	873710017	/nfs/dbraw/zinc/71/00/17/873710017.db2.gz	MEBZJPCZNYFEKW-MAUKXSAKSA-N	1	0	367.440	1.294	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc3c2COCC3)C[C@H]1C	ZINC001106232532	874035044	/nfs/dbraw/zinc/03/50/44/874035044.db2.gz	BFGJPZJQDQAIJI-SJLPKXTDSA-N	1	0	356.466	1.707	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3ncncc3C2)C[C@H]1C	ZINC001106232735	874037576	/nfs/dbraw/zinc/03/75/76/874037576.db2.gz	HXRQNXRMDRTOSA-SOLBZPMBSA-N	1	0	358.486	1.468	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3coc(C)n3)[C@H](C)C2)CCOCC1	ZINC001106235551	874047968	/nfs/dbraw/zinc/04/79/68/874047968.db2.gz	UHIWJLRRCKPGFV-NVXWUHKLSA-N	1	0	359.470	1.987	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C2)CCC1	ZINC001106235586	874048512	/nfs/dbraw/zinc/04/85/12/874048512.db2.gz	VZTKXDGMMHFNKV-HZPDHXFCSA-N	1	0	354.516	1.299	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)CC3CC3)[C@H](C)C2)CCC1	ZINC001106236348	874063055	/nfs/dbraw/zinc/06/30/55/874063055.db2.gz	LQHULOXUZILNSR-SJLPKXTDSA-N	1	0	359.514	1.733	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C2	ZINC001112542013	874074579	/nfs/dbraw/zinc/07/45/79/874074579.db2.gz	AGCGVQWZAMUNOM-YOEHRIQHSA-N	1	0	357.520	1.109	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C1	ZINC001106252990	874155457	/nfs/dbraw/zinc/15/54/57/874155457.db2.gz	XGUNBAWYKNJUJH-HZPDHXFCSA-N	1	0	367.515	1.407	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]C[C@H](O)Cn2cccn2)[C@H](C)C1	ZINC001106255940	874171320	/nfs/dbraw/zinc/17/13/20/874171320.db2.gz	QHDIFJMGOFFXFK-KURKYZTESA-N	1	0	371.485	1.229	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C/C=C/c2cccc(F)c2)C[C@H]1C	ZINC001106267805	874286918	/nfs/dbraw/zinc/28/69/18/874286918.db2.gz	GHJXXPCWGUIGFO-MPKNPAPTSA-N	1	0	371.456	1.663	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnc3[nH]ccc3c2)C[C@H]1C	ZINC001106285961	874443355	/nfs/dbraw/zinc/44/33/55/874443355.db2.gz	CTUYTJXOCODTED-JKIFEVAISA-N	1	0	369.469	1.503	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1Cn1c(C)cc(C=NN[C@@H]2CCS(=O)(=O)C2)c1C	ZINC000914690144	874506323	/nfs/dbraw/zinc/50/63/23/874506323.db2.gz	LCIUYVXIKSGPAY-MSOLQXFVSA-N	1	0	366.531	1.700	20	30		FDEDRO
CC(C)(C#N)CNC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000495187518	874639162	/nfs/dbraw/zinc/63/91/62/874639162.db2.gz	YXSIGSPHYSZXGU-KRWDZBQOSA-N	1	0	371.485	1.733	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccsc2COC)C[C@H]1C	ZINC001106317639	874746190	/nfs/dbraw/zinc/74/61/90/874746190.db2.gz	LQJQMYIMXWECRY-HUUCEWRRSA-N	1	0	350.484	1.842	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]CCOCCO)[C@H](C)C2)cc1	ZINC001106331334	874805170	/nfs/dbraw/zinc/80/51/70/874805170.db2.gz	VPLROIOENYGOFC-SJLPKXTDSA-N	1	0	362.470	1.558	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC2CC(F)(F)C2)C[C@H]1C	ZINC001106336402	874811185	/nfs/dbraw/zinc/81/11/85/874811185.db2.gz	MGHLCXSIGUKXAC-VNHYZAJKSA-N	1	0	357.445	1.797	20	30		FDEDRO
CCN1CCOC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1	ZINC001106351013	874872343	/nfs/dbraw/zinc/87/23/43/874872343.db2.gz	ZSYGYCGMJWYUQU-HMXCVIKNSA-N	1	0	369.509	1.443	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cnn(C(C)(C)C)c2)C[C@H]1C	ZINC001106358110	874896820	/nfs/dbraw/zinc/89/68/20/874896820.db2.gz	VQGFELPPGWZPMO-HUUCEWRRSA-N	1	0	361.490	1.238	20	30		FDEDRO
CCc1ccc(F)cc1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106372689	874950617	/nfs/dbraw/zinc/95/06/17/874950617.db2.gz	GKRTVFOPCVLHCA-UKRRQHHQSA-N	1	0	360.433	1.326	20	30		FDEDRO
CCn1c(C)cc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)c1C	ZINC001106388991	875042959	/nfs/dbraw/zinc/04/29/59/875042959.db2.gz	HVLWMQBBOVEQEV-CZUORRHYSA-N	1	0	359.474	1.062	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccn3ccccc23)C[C@H]1C	ZINC001106409735	875173459	/nfs/dbraw/zinc/17/34/59/875173459.db2.gz	WCZRYZPPPRTWJD-BRWVUGGUSA-N	1	0	368.481	1.928	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)nc2C)C[C@H]1C	ZINC001106455178	875398783	/nfs/dbraw/zinc/39/87/83/875398783.db2.gz	DNQCRGKPZPJKHB-RHSMWYFYSA-N	1	0	358.486	1.607	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3nc(C)nn3C2)C[C@H]1C	ZINC001106464039	875489596	/nfs/dbraw/zinc/48/95/96/875489596.db2.gz	BBQAGCOTNLTQPF-KCPJHIHWSA-N	1	0	351.882	1.586	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CCOC2)C[C@H]1C	ZINC001106481571	875618777	/nfs/dbraw/zinc/61/87/77/875618777.db2.gz	VAUPYAAAGKHHTN-MRVWCRGKSA-N	1	0	352.866	1.964	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnn3c2nc(C)cc3C)C[C@H]1C	ZINC001106508954	875767604	/nfs/dbraw/zinc/76/76/04/875767604.db2.gz	GAYFFTQPQXGLCQ-RHSMWYFYSA-N	1	0	369.469	1.294	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2OCCc3ccccc32)C[C@H]1C	ZINC001106508925	875768111	/nfs/dbraw/zinc/76/81/11/875768111.db2.gz	DPNIOHJLXWZAHU-MDYRTPRTSA-N	1	0	371.481	1.287	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc3cn[nH]c32)C[C@H]1C	ZINC001106509592	875769167	/nfs/dbraw/zinc/76/91/67/875769167.db2.gz	MUJACIQQELVBFK-IIAWOOMASA-N	1	0	369.469	1.551	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@@]3(C)C2)cn1	ZINC000993191870	875810407	/nfs/dbraw/zinc/81/04/07/875810407.db2.gz	OXOCAJHDYQTJHX-YRISNDGFSA-N	1	0	366.465	1.078	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C2(n3cnnn3)CCCCC2)C[C@H]1C	ZINC001106517509	875811999	/nfs/dbraw/zinc/81/19/99/875811999.db2.gz	HXOWDYMDPVMOHT-UKRRQHHQSA-N	1	0	366.897	1.769	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NCCC)[C@H](C)C1	ZINC001106517444	875812073	/nfs/dbraw/zinc/81/20/73/875812073.db2.gz	FLGMRQRNTKDIEW-HUUCEWRRSA-N	1	0	366.506	1.509	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NCC)[C@H](C)C1	ZINC001106517819	875814623	/nfs/dbraw/zinc/81/46/23/875814623.db2.gz	VNBKTAUVHFNWFR-QLFBSQMISA-N	1	0	366.506	1.507	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@@H]2CCOC2)[C@H](C)C1	ZINC001106556207	875945653	/nfs/dbraw/zinc/94/56/53/875945653.db2.gz	JXZJCKUYLWKEIH-FGTMMUONSA-N	1	0	363.502	1.017	20	30		FDEDRO
C=CCN1CC[C@H](N2C[C@@H](NC(=O)CC3(C)CCCC3)[C@H](OC)C2)C1=O	ZINC001212223129	882982437	/nfs/dbraw/zinc/98/24/37/882982437.db2.gz	IAQPQJMEHUBRLB-IXDOHACOSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC2CC(OCC)C2)C[C@H]1C	ZINC001106571228	875984802	/nfs/dbraw/zinc/98/48/02/875984802.db2.gz	QAAYJYCWKRSXFU-KZYLPZIUSA-N	1	0	351.491	1.178	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2coc(C(F)F)c2)C[C@H]1C	ZINC001106586252	876048356	/nfs/dbraw/zinc/04/83/56/876048356.db2.gz	WTDXZNRAYFSMDP-MBNYWOFBSA-N	1	0	367.396	1.653	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106591071	876058952	/nfs/dbraw/zinc/05/89/52/876058952.db2.gz	MDLYXMVQSZHVFM-GDBMZVCRSA-N	1	0	368.412	1.258	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccnc2C)C[C@H]1C	ZINC001106597995	876101344	/nfs/dbraw/zinc/10/13/44/876101344.db2.gz	SXGNNJJPJQLWFB-NVXWUHKLSA-N	1	0	371.485	1.450	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)CC)C[C@H]1C	ZINC001106605814	876165401	/nfs/dbraw/zinc/16/54/01/876165401.db2.gz	XNVQKBQSCUVHLB-ZIAGYGMSSA-N	1	0	352.479	1.119	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NCC)[C@H](C)C1	ZINC001106606136	876167105	/nfs/dbraw/zinc/16/71/05/876167105.db2.gz	BEAYBWLLYPRGKF-RBSFLKMASA-N	1	0	352.479	1.261	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21	ZINC000915431371	876307715	/nfs/dbraw/zinc/30/77/15/876307715.db2.gz	KBURENPDAKPOFZ-QZTJIDSGSA-N	1	0	363.483	1.410	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2nn(C)c3c2CCCC3)C[C@H]1C	ZINC001106685177	876545491	/nfs/dbraw/zinc/54/54/91/876545491.db2.gz	XKFUNTLEYIJPRQ-HZPDHXFCSA-N	1	0	358.486	1.246	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(CC)CC)[C@H](C)C1	ZINC001106680336	876547751	/nfs/dbraw/zinc/54/77/51/876547751.db2.gz	LGLHVYPKOWRMJP-AHCXZYCDSA-N	1	0	365.518	1.566	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc3c2OCC3)C[C@H]1C	ZINC001106690084	876582662	/nfs/dbraw/zinc/58/26/62/876582662.db2.gz	UCVUHIXELRGJBO-BFYDXBDKSA-N	1	0	371.481	1.610	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@H]1C	ZINC001106691439	876590151	/nfs/dbraw/zinc/59/01/51/876590151.db2.gz	OTFGOOKTSRDRJZ-JHJVBQTASA-N	1	0	361.408	1.704	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCCO2)[C@@H](n2ccnn2)C1	ZINC001128736565	883051385	/nfs/dbraw/zinc/05/13/85/883051385.db2.gz	OZPXCRKSFRONRL-KSZLIROESA-N	1	0	361.490	1.935	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)C(C)C)C[C@H]1C	ZINC001106705963	876887237	/nfs/dbraw/zinc/88/72/37/876887237.db2.gz	QOFIBGFZXRYINV-YFVAEKQCSA-N	1	0	369.509	1.860	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2cccs2)C[C@H]1C	ZINC001106716197	876936609	/nfs/dbraw/zinc/93/66/09/876936609.db2.gz	ZNFNHYPFMKCWGD-BZUAXINKSA-N	1	0	361.511	1.360	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc3ccccn3c2)C[C@H]1C	ZINC001106723920	876971471	/nfs/dbraw/zinc/97/14/71/876971471.db2.gz	UGNAMPSNPQNMEL-SOLBZPMBSA-N	1	0	368.481	1.928	20	30		FDEDRO
CC1CC[NH+](CC(=O)N2C[C@H]3CN(C(=O)C#CC4CC4)C[C@@]3(C)C2)CC1	ZINC000993312333	877085577	/nfs/dbraw/zinc/08/55/77/877085577.db2.gz	QDVOJJLRLOUBLJ-NQIIRXRSSA-N	1	0	357.498	1.439	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](C[C@H]2CCc3ncnn32)CC1	ZINC001003788227	877220244	/nfs/dbraw/zinc/22/02/44/877220244.db2.gz	MEVLRCJIMDNVAB-RYRKJORJSA-N	1	0	359.474	1.327	20	30		FDEDRO
C[C@@H](CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)c1ccccc1	ZINC001106731165	877234455	/nfs/dbraw/zinc/23/44/55/877234455.db2.gz	HMNORSVBKDBHJT-YQVWRLOYSA-N	1	0	370.497	1.894	20	30		FDEDRO
C[NH+](C)Cc1ccoc1C(=O)N1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C)C1	ZINC000993323123	877240823	/nfs/dbraw/zinc/24/08/23/877240823.db2.gz	LIUKDCVQTOGGIN-UTKZUKDTSA-N	1	0	369.465	1.675	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2conc2C)[C@H](C)C1	ZINC001106733269	877257473	/nfs/dbraw/zinc/25/74/73/877257473.db2.gz	ONNIQOOKLAKQNV-QBIMZIAESA-N	1	0	362.474	1.638	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2ccns2)[C@H](C)C1	ZINC001106734012	877287668	/nfs/dbraw/zinc/28/76/68/877287668.db2.gz	MMPVLBQMIXHFLW-FRFSOERESA-N	1	0	364.515	1.798	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]CCOCC2CC2)[C@H](C)C1	ZINC001106734075	877287786	/nfs/dbraw/zinc/28/77/86/877287786.db2.gz	OMVKXZDRLLQLHB-ATZDWAIDSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cnc3nccnc3c2)[C@H](OC)C1	ZINC001212416322	912228845	/nfs/dbraw/zinc/22/88/45/912228845.db2.gz	ISQFZKPUMWTSFH-IAOVAPTHSA-N	1	0	355.442	1.809	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)[C@H](C)C2)cc1	ZINC001106740347	877405948	/nfs/dbraw/zinc/40/59/48/877405948.db2.gz	LDMUUSPTKULBIW-SOLBZPMBSA-N	1	0	371.481	1.473	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(OC)c(C)c2)C[C@H]1C	ZINC001106763288	877617378	/nfs/dbraw/zinc/61/73/78/877617378.db2.gz	AAFCSXSTVQQBPS-NVXWUHKLSA-N	1	0	359.470	1.604	20	30		FDEDRO
C[C@H](CC[NH+](C)C)NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000272533472	877806951	/nfs/dbraw/zinc/80/69/51/877806951.db2.gz	KIOJVRXDCPXGKE-PBHICJAKSA-N	1	0	357.458	1.693	20	30		FDEDRO
Cc1cc(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)cc(C)c1C#N	ZINC000922351271	877867168	/nfs/dbraw/zinc/86/71/68/877867168.db2.gz	WXRHIYDADMAVTI-IBGZPJMESA-N	1	0	370.497	1.702	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C)nc4onc(C)c43)[C@H]2C1	ZINC001083156896	912288823	/nfs/dbraw/zinc/28/88/23/912288823.db2.gz	SSGBAALCTDHZAK-JKSUJKDBSA-N	1	0	356.426	1.941	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[C@H](C)CC)C[C@H]1C	ZINC001106793117	877950397	/nfs/dbraw/zinc/95/03/97/877950397.db2.gz	KCFGHHAIOTYHDR-BZUAXINKSA-N	1	0	366.506	1.509	20	30		FDEDRO
C=CCn1c(-c2cccnc2)nnc1N1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000282360414	878200879	/nfs/dbraw/zinc/20/08/79/878200879.db2.gz	SXHFCFQCFSJYDS-UHFFFAOYSA-N	1	0	369.473	1.126	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCc2cccnc2)C[C@H]1C	ZINC001106812749	878208205	/nfs/dbraw/zinc/20/82/05/878208205.db2.gz	DAGYLZNIRVZCOS-ZHALLVOQSA-N	1	0	370.497	1.226	20	30		FDEDRO
C#CCC1(NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CCOCC1	ZINC000925426641	878372801	/nfs/dbraw/zinc/37/28/01/878372801.db2.gz	VZXMWHNPBQTIMD-OAHLLOKOSA-N	1	0	367.490	1.520	20	30		FDEDRO
COc1cc(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)ccc1C#N	ZINC000922528333	878491404	/nfs/dbraw/zinc/49/14/04/878491404.db2.gz	GVDBUAWNOXBYOE-QGZVFWFLSA-N	1	0	358.442	1.619	20	30		FDEDRO
CCCn1cc(C(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@@H]2O)cn1	ZINC001083824905	878504154	/nfs/dbraw/zinc/50/41/54/878504154.db2.gz	UPGSRBNOCLEAKS-MSOLQXFVSA-N	1	0	353.426	1.140	20	30		FDEDRO
C=CCCC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@H]1OCC[C@H]1C)CC2	ZINC001128048039	912362341	/nfs/dbraw/zinc/36/23/41/912362341.db2.gz	KSDYXFYCQHTAOA-VKJFTORMSA-N	1	0	361.490	1.580	20	30		FDEDRO
CO[C@]1(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)CCS(=O)(=O)C1	ZINC000922616185	878792867	/nfs/dbraw/zinc/79/28/67/878792867.db2.gz	UGGANTRWSCVDCF-KRWDZBQOSA-N	1	0	351.472	1.330	20	30		FDEDRO
C=C(C)CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@H]1CC[C@@H](C)O1)CC2	ZINC001128054401	912400257	/nfs/dbraw/zinc/40/02/57/912400257.db2.gz	PTSZVYCXSAXITD-BZUAXINKSA-N	1	0	361.490	1.723	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2CC1	ZINC000946595020	879049189	/nfs/dbraw/zinc/04/91/89/879049189.db2.gz	DYVZPTWABCUSJX-XDNAFOTISA-N	1	0	363.502	1.226	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2oncc2C)C[C@H]1C	ZINC001106830615	879344924	/nfs/dbraw/zinc/34/49/24/879344924.db2.gz	SXXGWSPIFSYWDQ-HZPDHXFCSA-N	1	0	362.474	1.705	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC(=O)NC)CC1	ZINC001004437370	879502754	/nfs/dbraw/zinc/50/27/54/879502754.db2.gz	JOKDFISORURKFO-SQNIBIBYSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CC1	ZINC001004492366	879700717	/nfs/dbraw/zinc/70/07/17/879700717.db2.gz	ZIWKYCXQIHOCBI-KURKYZTESA-N	1	0	361.486	1.136	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1	ZINC001004534902	879810056	/nfs/dbraw/zinc/81/00/56/879810056.db2.gz	ZJOHABGCWVYYLF-SQNIBIBYSA-N	1	0	361.486	1.027	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2Cc2cnon2)CC1	ZINC001004546715	879845759	/nfs/dbraw/zinc/84/57/59/879845759.db2.gz	KKHGBNMJPJSNHX-KURKYZTESA-N	1	0	360.458	1.864	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@@H]2O)cc1	ZINC001083842227	879882300	/nfs/dbraw/zinc/88/23/00/879882300.db2.gz	BPOHBMMBXPWIME-UHOSZYNNSA-N	1	0	358.438	1.043	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)C2)CC1	ZINC000993855815	879921324	/nfs/dbraw/zinc/92/13/24/879921324.db2.gz	UNZRJCFNBRQJGV-YTQUADARSA-N	1	0	357.498	1.485	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](CNC(=O)[C@@H]3CN(C)CCO3)[C@H](C)C2)CC1	ZINC000993872109	879926804	/nfs/dbraw/zinc/92/68/04/879926804.db2.gz	GKSCMXIZOGOJGP-NXHRZFHOSA-N	1	0	363.502	1.274	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC000993912649	880126255	/nfs/dbraw/zinc/12/62/55/880126255.db2.gz	DUFSEDAWGHBHIZ-IJEWVQPXSA-N	1	0	357.458	1.052	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCN(CC(F)F)C3)[C@H]2C1	ZINC001083177505	912552131	/nfs/dbraw/zinc/55/21/31/912552131.db2.gz	ZUGJRMUZHVPGOD-OWCLPIDISA-N	1	0	357.445	1.451	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCn2cncn2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001106842701	880670795	/nfs/dbraw/zinc/67/07/95/880670795.db2.gz	YEKAPXDYZDDDEC-VQIMIIECSA-N	1	0	366.469	1.814	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC000994135901	880894820	/nfs/dbraw/zinc/89/48/20/880894820.db2.gz	GYJBRPZMQQRAPC-KYJSFNMBSA-N	1	0	371.485	1.585	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)[C@@H]3CC3(C)C)C[C@H]2C)CC1	ZINC000994137224	880897823	/nfs/dbraw/zinc/89/78/23/880897823.db2.gz	QQLGCGBPXQHXQU-NXHRZFHOSA-N	1	0	359.514	1.588	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C[C@H]2C)CC1	ZINC000994137981	880900492	/nfs/dbraw/zinc/90/04/92/880900492.db2.gz	XVYFPFIEAIFLFA-LFZDHENXSA-N	1	0	371.525	1.588	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@H](OC)C(F)(F)F)C[C@H]1C	ZINC001106846406	881011539	/nfs/dbraw/zinc/01/15/39/881011539.db2.gz	YWNGZIINNUEFLI-MCIONIFRSA-N	1	0	350.381	1.288	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C2(CC)CCC2)C[C@H]1C	ZINC000994203946	881027659	/nfs/dbraw/zinc/02/76/59/881027659.db2.gz	SBSSGDQUVWVUOJ-KURKYZTESA-N	1	0	359.514	1.875	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CCCn2nc(C)nc2C)C[C@H]1C	ZINC001106858171	881166372	/nfs/dbraw/zinc/16/63/72/881166372.db2.gz	ZUIQXCIQSDMORQ-CRAIPNDOSA-N	1	0	363.506	1.562	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CCOC2CCOCC2)C[C@H]1C	ZINC001106860629	881172626	/nfs/dbraw/zinc/17/26/26/881172626.db2.gz	IUSLOSOTAGRUHM-IAGOWNOFSA-N	1	0	354.491	1.459	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](CC3CCCCCC3)C[C@@H]2O)nn1	ZINC001083846675	881188000	/nfs/dbraw/zinc/18/80/00/881188000.db2.gz	MAUFJZJEQLPHIK-AEFFLSMTSA-N	1	0	361.490	1.600	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1	ZINC001004749583	881202733	/nfs/dbraw/zinc/20/27/33/881202733.db2.gz	WIDHDRLGOPIBHN-PYJZQUQOSA-N	1	0	366.465	1.265	20	30		FDEDRO
COc1cc(C=NNCC[NH+]2CCCCC2)cc(Cl)c1OCC(N)=O	ZINC000915973144	881262596	/nfs/dbraw/zinc/26/25/96/881262596.db2.gz	AINFDMBKYGNLFC-UHFFFAOYSA-N	1	0	368.865	1.622	20	30		FDEDRO
Nc1nc(Cl)c(C=NNCC[NH+]2CCCCC2)c(N2CCCC2)n1	ZINC000915974905	881265642	/nfs/dbraw/zinc/26/56/42/881265642.db2.gz	LXKJFCGHJNCQMY-UHFFFAOYSA-N	1	0	351.886	1.722	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](NC(=O)COC)C(C)C)C2	ZINC001112542788	883146828	/nfs/dbraw/zinc/14/68/28/883146828.db2.gz	QYSCNIMTBLBNKW-IEZWGBDMSA-N	1	0	351.491	1.178	20	30		FDEDRO
C[C@H]1CN(C(=O)CNc2ccc(C#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000497469073	883238241	/nfs/dbraw/zinc/23/82/41/883238241.db2.gz	YQDTUGXKWWCYEB-QFBILLFUSA-N	1	0	355.486	1.455	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(C)n(C)n2)[C@@H](n2ccnn2)C1	ZINC001128759534	883256191	/nfs/dbraw/zinc/25/61/91/883256191.db2.gz	YFVKQRLQFPQGIY-XKQJLSEDSA-N	1	0	357.462	1.330	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cc(C)cn2)[C@@H](n2ccnn2)C1	ZINC001128775611	883391701	/nfs/dbraw/zinc/39/17/01/883391701.db2.gz	WOGOOBZVODMJFK-ZACQAIPSSA-N	1	0	357.462	1.179	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1	ZINC001033905515	883436231	/nfs/dbraw/zinc/43/62/31/883436231.db2.gz	APFRKHUINRIEDW-QRVBRYPASA-N	1	0	365.518	1.365	20	30		FDEDRO
CCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1	ZINC001033952545	883571415	/nfs/dbraw/zinc/57/14/15/883571415.db2.gz	VZGOXUFRRVLSOZ-FGTMMUONSA-N	1	0	370.453	1.014	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@@H]1n1ccnn1	ZINC001128785261	883604943	/nfs/dbraw/zinc/60/49/43/883604943.db2.gz	LKTRTKKHEFFYLH-NXHRZFHOSA-N	1	0	361.490	1.791	20	30		FDEDRO
Cc1cc(C)cc(C[N@H+]2C[C@@H](NC(=O)[C@@H](C)C#N)[C@@H](n3ccnn3)C2)c1	ZINC001128825299	883746593	/nfs/dbraw/zinc/74/65/93/883746593.db2.gz	PBEABBQRXGGNAX-JQHSSLGASA-N	1	0	352.442	1.596	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccc3c(c2)nnn3C)C1	ZINC000999427424	912749635	/nfs/dbraw/zinc/74/96/35/912749635.db2.gz	JMHKOHXYGLDQCJ-FCJNSDPXSA-N	1	0	369.469	1.638	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC2CCOCC2)[C@@H](n2ccnn2)C1	ZINC001128838602	883813177	/nfs/dbraw/zinc/81/31/77/883813177.db2.gz	KLQHZAZPWPMFKY-JQHSSLGASA-N	1	0	361.490	1.791	20	30		FDEDRO
C#CCN(C(=O)NCCCNC(=O)c1ccc(F)cc1)C1CC[NH+](C)CC1	ZINC000917859198	883873268	/nfs/dbraw/zinc/87/32/68/883873268.db2.gz	PFSGLQUKDNNLEH-UHFFFAOYSA-N	1	0	374.460	1.685	20	30		FDEDRO
CC(C)C[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](n2ccnn2)C1	ZINC001128877772	883914827	/nfs/dbraw/zinc/91/48/27/883914827.db2.gz	HPGUDMABBRSNAL-QGTPRVQTSA-N	1	0	369.473	1.815	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCc2cnn(C)c2)C1	ZINC001034213274	883939471	/nfs/dbraw/zinc/93/94/71/883939471.db2.gz	SENTXQLJHCCIPR-OTWHNJEPSA-N	1	0	360.502	1.915	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](n2ccnn2)C1	ZINC001128891803	883969406	/nfs/dbraw/zinc/96/94/06/883969406.db2.gz	QEWRMLQKOYAKDV-XKQJLSEDSA-N	1	0	353.430	1.488	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2coc(CC)n2)[C@@H](n2ccnn2)C1	ZINC001128903863	884025398	/nfs/dbraw/zinc/02/53/98/884025398.db2.gz	XQINPVWCOYTVIO-FMKPAKJESA-N	1	0	358.446	1.839	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C2=CCOCC2)[C@@H](n2ccnn2)C1	ZINC001128913817	884099126	/nfs/dbraw/zinc/09/91/26/884099126.db2.gz	PKTYYXIOMZYCGQ-MSOLQXFVSA-N	1	0	359.474	1.713	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]C[C@@H](CC)OC)[C@H](C)C1	ZINC001106891169	884296014	/nfs/dbraw/zinc/29/60/14/884296014.db2.gz	YIONPDJFDDIHQF-BRWVUGGUSA-N	1	0	359.470	1.816	20	30		FDEDRO
CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001034435568	884365428	/nfs/dbraw/zinc/36/54/28/884365428.db2.gz	KARCDOJXRWZBFT-WSTZPKSXSA-N	1	0	368.481	1.595	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@@H+](CCc2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001128961768	884487257	/nfs/dbraw/zinc/48/72/57/884487257.db2.gz	IVPQXZHFJBLEQU-UXHICEINSA-N	1	0	365.481	1.974	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CC[NH2+][C@@H]2CCN(CC)C2=O)CC1	ZINC001034574052	884526628	/nfs/dbraw/zinc/52/66/28/884526628.db2.gz	UPJXXWYBIDKVFE-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@@H]1n1ccnn1	ZINC001128975988	884542455	/nfs/dbraw/zinc/54/24/55/884542455.db2.gz	CWENMZKKGOVDJP-KSZLIROESA-N	1	0	359.474	1.238	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C)C[C@@H]1n1ccnn1	ZINC001128976329	884544202	/nfs/dbraw/zinc/54/42/02/884544202.db2.gz	PVFXCZHZCNCHBT-MOPGFXCFSA-N	1	0	367.453	1.168	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCN(CC)C2=O)CC1	ZINC001034648491	884617237	/nfs/dbraw/zinc/61/72/37/884617237.db2.gz	IXGOAFGMRVVZHI-ZKXLYKBJSA-N	1	0	363.502	1.605	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccccc3C#N)CC2)O1	ZINC001034674524	884689178	/nfs/dbraw/zinc/68/91/78/884689178.db2.gz	IRMSGWUCVVOQER-HUYLIWGRSA-N	1	0	370.497	1.794	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001128985723	884732895	/nfs/dbraw/zinc/73/28/95/884732895.db2.gz	SBYIVKATWMIBSX-UXHICEINSA-N	1	0	359.433	1.085	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCCCCC=C)C[C@@H]1n1ccnn1	ZINC001128990063	884837737	/nfs/dbraw/zinc/83/77/37/884837737.db2.gz	YTZJMQCAUVAHTL-KSZLIROESA-N	1	0	359.474	1.404	20	30		FDEDRO
Cc1nn2c(nc3ccccc3c2=O)c1=CNNc1[nH+]cnc2c1cnn2C	ZINC000918712207	884849045	/nfs/dbraw/zinc/84/90/45/884849045.db2.gz	HEOKEOPBBUVXCP-UHFFFAOYSA-N	1	0	373.380	1.607	20	30		FDEDRO
CN(C)C(=O)CNC(=S)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000918719318	884859405	/nfs/dbraw/zinc/85/94/05/884859405.db2.gz	LVRLFRKYAUCZOZ-UHFFFAOYSA-N	1	0	359.499	1.029	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000918719104	884859840	/nfs/dbraw/zinc/85/98/40/884859840.db2.gz	PYNVJAZUDLTTGC-MRXNPFEDSA-N	1	0	358.515	1.434	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(C(C)(C)C)C2=O)C1	ZINC001077550977	884879046	/nfs/dbraw/zinc/87/90/46/884879046.db2.gz	FWMWNBIRSONMFI-BZUAXINKSA-N	1	0	351.491	1.151	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1=O	ZINC001034740101	884935405	/nfs/dbraw/zinc/93/54/05/884935405.db2.gz	GHSZUMAYZJHJTI-WJQMWINMSA-N	1	0	361.486	1.358	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncnn2CC)CC1	ZINC001034755251	884971194	/nfs/dbraw/zinc/97/11/94/884971194.db2.gz	ZLSJLALFPRBBLM-OVWQWFNUSA-N	1	0	361.490	1.796	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)c3cccc(C#CCO)c3)cc2)CC1	ZINC000918914635	885025223	/nfs/dbraw/zinc/02/52/23/885025223.db2.gz	YJRIQJFIUMXSKY-UHFFFAOYSA-N	1	0	363.461	1.712	20	30		FDEDRO
COCC#CCN1C[C@@H](NC(=O)c2cccc(F)c2C)[C@@H](n2ccnn2)C1	ZINC001129009659	885049707	/nfs/dbraw/zinc/04/97/07/885049707.db2.gz	KEAREBDOBLNIEZ-MSOLQXFVSA-N	1	0	371.416	1.031	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cccc3n[nH]nc32)[C@@H](n2ccnn2)C1	ZINC001129009752	885052657	/nfs/dbraw/zinc/05/26/57/885052657.db2.gz	OIQWLJMRPYWLRJ-CVEARBPZSA-N	1	0	366.429	1.171	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCCc3ccccc3C)C[C@@H]2O)nc1	ZINC001083969709	912919599	/nfs/dbraw/zinc/91/95/99/912919599.db2.gz	QZXIJJSZXOAUJG-RTWAWAEBSA-N	1	0	363.461	1.779	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3c(C)cc(C)cc3C)C[C@@H]2O)cn1	ZINC001083968991	912915317	/nfs/dbraw/zinc/91/53/17/912915317.db2.gz	ONDORHNNXDFIRU-RTWAWAEBSA-N	1	0	363.461	1.963	20	30		FDEDRO
C[C@@H]1C[N@@H+](Cc2ccc(CN(C)C(=O)NCC#CCO)cc2)C[C@H](C)O1	ZINC000923761238	885390745	/nfs/dbraw/zinc/39/07/45/885390745.db2.gz	QMKFRLGQGYDJMG-CALCHBBNSA-N	1	0	359.470	1.433	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(C#N)s2)O1	ZINC001034971826	885403578	/nfs/dbraw/zinc/40/35/78/885403578.db2.gz	VYOCCWCELXQRMJ-CKEIUWERSA-N	1	0	362.499	1.419	20	30		FDEDRO
N#CCCCS(=O)(=O)c1ccc(C(=O)NCCNc2cc[nH+]cc2)cc1	ZINC000498641574	885435109	/nfs/dbraw/zinc/43/51/09/885435109.db2.gz	XWARUQQFBFJZCG-UHFFFAOYSA-N	1	0	372.450	1.423	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)C2(Cc3ccccc3)CC2)[C@@H](n2ccnn2)C1	ZINC001129053450	885583390	/nfs/dbraw/zinc/58/33/90/885583390.db2.gz	ZJNGNQWGIPNHEO-MOPGFXCFSA-N	1	0	363.465	1.666	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC(C)(C)C1	ZINC001089491954	885650042	/nfs/dbraw/zinc/65/00/42/885650042.db2.gz	YRYPDUYLFBGGPJ-XHSDSOJGSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc3nc[nH]c3n2)[C@@H](n2ccnn2)C1	ZINC001129072029	885694438	/nfs/dbraw/zinc/69/44/38/885694438.db2.gz	SZOZJPDNVAKZEZ-CVEARBPZSA-N	1	0	366.429	1.171	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc(C3CC3)cn2)[C@@H](n2ccnn2)C1	ZINC001129084725	885711693	/nfs/dbraw/zinc/71/16/93/885711693.db2.gz	VKKNVLHMDUIVCC-MSOLQXFVSA-N	1	0	369.473	1.360	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2CCC)[C@@H](n2ccnn2)C1	ZINC001129090010	885716321	/nfs/dbraw/zinc/71/63/21/885716321.db2.gz	QZJCQPUUORZUAR-AEFFLSMTSA-N	1	0	371.489	1.586	20	30		FDEDRO
C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)CC2	ZINC001035224388	885774085	/nfs/dbraw/zinc/77/40/85/885774085.db2.gz	KKVCMWCTQFXZFL-UONOGXRCSA-N	1	0	355.866	1.086	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC[N@@H+](Cc3cnnn3C)C2)CC1	ZINC001035231298	885822651	/nfs/dbraw/zinc/82/26/51/885822651.db2.gz	WBYYZUXIBFGUMQ-SJORKVTESA-N	1	0	359.474	1.221	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2occ3c2CCOC3)[C@@H](n2ccnn2)C1	ZINC001129128379	885825985	/nfs/dbraw/zinc/82/59/85/885825985.db2.gz	VNPFGQPQEITNSJ-SJORKVTESA-N	1	0	371.441	1.565	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2oncc2C)C3)CC1	ZINC001005793767	885848433	/nfs/dbraw/zinc/84/84/33/885848433.db2.gz	QYVFWQXRYDRVCQ-ZACQAIPSSA-N	1	0	370.453	1.190	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@H]2CN(Cc3ccccc3C#N)CCO2)CC[N@@H+]1C	ZINC001035374701	885945566	/nfs/dbraw/zinc/94/55/66/885945566.db2.gz	CVJIFEICTGJMQE-AYOQOUSVSA-N	1	0	356.470	1.215	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(CC#Cc3ccccc3)CCO2)CC[N@@H+]1C	ZINC001035375552	885948309	/nfs/dbraw/zinc/94/83/09/885948309.db2.gz	KEVFVGDWMYYQLF-PCCBWWKXSA-N	1	0	369.509	1.585	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@H]1NC(=O)C#CC(C)C	ZINC001212241707	885949710	/nfs/dbraw/zinc/94/97/10/885949710.db2.gz	WKGIQJKIQIINOT-UYAOXDASSA-N	1	0	356.466	1.639	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)c2cncnc2)[C@@H](n2ccnn2)C1	ZINC001129189498	886157872	/nfs/dbraw/zinc/15/78/72/886157872.db2.gz	QRMFBXCZWQEDCP-UAGQMJEPSA-N	1	0	355.446	1.180	20	30		FDEDRO
C=C1CC(C)(C(=O)NC[C@H]2COCCN2C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001061885615	886171538	/nfs/dbraw/zinc/17/15/38/886171538.db2.gz	RVEKCJJJBBJZFM-YESZJQIVSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](CCC)c2ccccn2)[C@@H](n2ccnn2)C1	ZINC001129199632	886268664	/nfs/dbraw/zinc/26/86/64/886268664.db2.gz	LADKFXLCDVJXTB-UHOSZYNNSA-N	1	0	366.469	1.622	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CN(CC#Cc3ccccc3)C[C@H]2O)C1	ZINC001077553200	886358027	/nfs/dbraw/zinc/35/80/27/886358027.db2.gz	FZURDEMBYHUEBO-PWRODBHTSA-N	1	0	369.509	1.321	20	30		FDEDRO
C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O)CC2	ZINC001035725217	886379188	/nfs/dbraw/zinc/37/91/88/886379188.db2.gz	CPTSLHXIFXGRQO-MSOLQXFVSA-N	1	0	357.498	1.725	20	30		FDEDRO
CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCO[C@H]1c1nccn1C)CC2	ZINC001035725778	886380972	/nfs/dbraw/zinc/38/09/72/886380972.db2.gz	DYUMBUAHEOQEGO-QZTJIDSGSA-N	1	0	370.497	1.836	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H](c2cccs2)N2CCN(C)CC2)CC1	ZINC000919962566	886461702	/nfs/dbraw/zinc/46/17/02/886461702.db2.gz	VPVNBXNNELKKDQ-GOSISDBHSA-N	1	0	374.554	1.498	20	30		FDEDRO
CN1CCN(c2cc[nH+]cc2NC(=O)c2ccccc2OCC#N)CC1	ZINC000920006069	886530852	/nfs/dbraw/zinc/53/08/52/886530852.db2.gz	FTMBGOFEIXYEOT-UHFFFAOYSA-N	1	0	351.410	1.988	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1	ZINC000499182617	886556305	/nfs/dbraw/zinc/55/63/05/886556305.db2.gz	ZMXQZWRSBQNQHD-INIZCTEOSA-N	1	0	358.442	1.374	20	30		FDEDRO
C=CCCC1(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]2n2ccnn2)CC1	ZINC001129238747	886746787	/nfs/dbraw/zinc/74/67/87/886746787.db2.gz	IRZNPVHFFDDRDC-BBWFWOEESA-N	1	0	359.474	1.403	20	30		FDEDRO
C=CCCC1(C(=O)N[C@@H]2C[N@@H+](C[C@H](CC)OC)C[C@@H]2n2ccnn2)CC1	ZINC001129239157	886749615	/nfs/dbraw/zinc/74/96/15/886749615.db2.gz	QUFVNONNXHJNJT-BBWFWOEESA-N	1	0	361.490	1.791	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000499316746	886772544	/nfs/dbraw/zinc/77/25/44/886772544.db2.gz	OAUFZHKPOPRBEI-QZTJIDSGSA-N	1	0	371.485	1.546	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](CC)OC)C[C@@H]2n2ccnn2)CCC1	ZINC001129243245	886809518	/nfs/dbraw/zinc/80/95/18/886809518.db2.gz	KKEYHJGUONUXTB-ZACQAIPSSA-N	1	0	361.490	1.791	20	30		FDEDRO
C#CCCCS(=O)(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21	ZINC000710182835	886911235	/nfs/dbraw/zinc/91/12/35/886911235.db2.gz	FIWCHHJZZSULOK-OALUTQOASA-N	1	0	362.495	1.705	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CN(C)c3cnc(C#N)cn3)C2)CC[N@@H+]1C	ZINC001062185182	886953367	/nfs/dbraw/zinc/95/33/67/886953367.db2.gz	HHFSBFFMVMNHKS-BHYGNILZSA-N	1	0	356.474	1.363	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CN(C)c3ccnc(C#N)n3)C2)CC[N@@H+]1C	ZINC001062185336	886954849	/nfs/dbraw/zinc/95/48/49/886954849.db2.gz	JHYRKSLERKIFHD-OWCLPIDISA-N	1	0	356.474	1.363	20	30		FDEDRO
Cc1cc(N(C)C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C#N)cn1	ZINC001062187284	886971652	/nfs/dbraw/zinc/97/16/52/886971652.db2.gz	WKAOYIKVOUVCKY-JFIYKMOQSA-N	1	0	355.486	1.887	20	30		FDEDRO
Cc1nsc(N(C)C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1C#N	ZINC001062186311	886971952	/nfs/dbraw/zinc/97/19/52/886971952.db2.gz	JLSFIYBZQITVDS-RBSFLKMASA-N	1	0	361.515	1.948	20	30		FDEDRO
N#CCCNC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1	ZINC000458715922	887040680	/nfs/dbraw/zinc/04/06/80/887040680.db2.gz	IXXQVFFNEYIOQT-UHFFFAOYSA-N	1	0	371.485	1.571	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)OCc2ccncc2)[C@@H](n2ccnn2)C1	ZINC001129266470	887051215	/nfs/dbraw/zinc/05/12/15/887051215.db2.gz	LKKUIFFXGGJEMN-NXHRZFHOSA-N	1	0	370.457	1.196	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC	ZINC001062348322	887062314	/nfs/dbraw/zinc/06/23/14/887062314.db2.gz	ZZHGIERJMUBZAK-ZACQAIPSSA-N	1	0	351.491	1.417	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(C)cc(C#N)n2)CC[N@@H+]1C	ZINC001062601422	887146285	/nfs/dbraw/zinc/14/62/85/887146285.db2.gz	YJINTLQMSOUMOP-LUKYLMHMSA-N	1	0	354.458	1.177	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ccc(F)cc3)C2=O)CC1	ZINC000922900924	887163185	/nfs/dbraw/zinc/16/31/85/887163185.db2.gz	URBXUGPGGVGGST-KRWDZBQOSA-N	1	0	358.417	1.328	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1	ZINC000938308212	887165908	/nfs/dbraw/zinc/16/59/08/887165908.db2.gz	CUWCVRVBQYGNPP-ULQDDVLXSA-N	1	0	361.486	1.313	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](n2cc(C[NH2+]CC3CCC3)nn2)C1	ZINC001089592403	887540020	/nfs/dbraw/zinc/54/00/20/887540020.db2.gz	RNSUFAYNQRJTPX-KSZLIROESA-N	1	0	359.474	1.532	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)n1	ZINC000415436444	887611666	/nfs/dbraw/zinc/61/16/66/887611666.db2.gz	JPSIXBHAFQCYTL-QWHCGFSZSA-N	1	0	356.405	2.522	20	30		FDEDRO
Cn1nnc2c1C[C@@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)CC2	ZINC000922992995	887666762	/nfs/dbraw/zinc/66/67/62/887666762.db2.gz	FYXDWJWPXYXNAH-INIZCTEOSA-N	1	0	362.441	1.634	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@H]1OC	ZINC001212255685	887842998	/nfs/dbraw/zinc/84/29/98/887842998.db2.gz	OTSKCAVNUHGNQD-KFKAGJAMSA-N	1	0	367.449	1.589	20	30		FDEDRO
C#CCN(C(=O)NCCOc1ncccc1Cl)C1CC[NH+](C)CC1	ZINC000921459242	887952109	/nfs/dbraw/zinc/95/21/09/887952109.db2.gz	KDYCJOVLMMTGEH-UHFFFAOYSA-N	1	0	350.850	1.853	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2cccc(OC)c2)C[C@H]1OC	ZINC001212257924	888070781	/nfs/dbraw/zinc/07/07/81/888070781.db2.gz	KLCRKSZYQUXSRQ-ATZDWAIDSA-N	1	0	360.454	1.612	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@H]1OC	ZINC001212260463	888105983	/nfs/dbraw/zinc/10/59/83/888105983.db2.gz	BRJWGUFHXKKLRF-RTBURBONSA-N	1	0	367.449	1.590	20	30		FDEDRO
CC[N@H+](CCNC(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C)C1CC1	ZINC000462094987	888490710	/nfs/dbraw/zinc/49/07/10/888490710.db2.gz	XECIDXOMXXBJHV-UHFFFAOYSA-N	1	0	353.430	2.053	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH+]1CCC(N(C)C(=O)[C@H]2C[C@H]2C(N)=O)CC1	ZINC001006008453	888689776	/nfs/dbraw/zinc/68/97/76/888689776.db2.gz	RKEIPHWWHKYUEO-SJORKVTESA-N	1	0	370.453	1.111	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)CN2CCO[C@@H]([C@@H](C)[NH3+])C2)c(OC)c1	ZINC000923297395	888796433	/nfs/dbraw/zinc/79/64/33/888796433.db2.gz	OSATUSBPZAGTOH-IDHHARJASA-N	1	0	350.459	1.211	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCC(F)(F)C3)C[C@@H]2O)c1	ZINC001083765144	888892009	/nfs/dbraw/zinc/89/20/09/888892009.db2.gz	POSPIABOTGJVQP-OIISXLGYSA-N	1	0	363.408	1.663	20	30		FDEDRO
C=CCn1cccc1C(=O)N(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000938614810	888949325	/nfs/dbraw/zinc/94/93/25/888949325.db2.gz	RYHQHUDGTLJAOO-IXDOHACOSA-N	1	0	358.486	1.687	20	30		FDEDRO
C#CCN(C(=O)NCc1c(C(F)(F)F)cnn1C)C1CC[NH+](C)CC1	ZINC000923395134	889114814	/nfs/dbraw/zinc/11/48/14/889114814.db2.gz	IZWQUCYUBGFCKD-UHFFFAOYSA-N	1	0	357.380	1.678	20	30		FDEDRO
COc1cccc([C@@H](CNC(=O)CNc2ccc(C#N)cn2)[NH+](C)C)c1	ZINC000498064982	889275944	/nfs/dbraw/zinc/27/59/44/889275944.db2.gz	OOMOIORBLWWSIY-QGZVFWFLSA-N	1	0	353.426	1.793	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)N2CCCCC2=O)[C@H](OC)C1	ZINC001212279569	889285493	/nfs/dbraw/zinc/28/54/93/889285493.db2.gz	OVOFKRXLYSFJHX-GVDBMIGSSA-N	1	0	351.491	1.559	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1	ZINC000938831820	889381625	/nfs/dbraw/zinc/38/16/25/889381625.db2.gz	NTXNNICKZZYODD-BBWFWOEESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CC[NH+]([C@H]2CCCNC2=O)CC1	ZINC001006109469	889464254	/nfs/dbraw/zinc/46/42/54/889464254.db2.gz	TXRYZMYIGXRSJF-BZSNNMDCSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000938867111	889475658	/nfs/dbraw/zinc/47/56/58/889475658.db2.gz	DORWKLCXDDLBRF-KSZLIROESA-N	1	0	368.437	1.598	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1	ZINC000938897875	889514262	/nfs/dbraw/zinc/51/42/62/889514262.db2.gz	FADZWHICUMRONK-BBWFWOEESA-N	1	0	361.486	1.265	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000938946205	889651177	/nfs/dbraw/zinc/65/11/77/889651177.db2.gz	QCUHAJMZIWCCEQ-NXHRZFHOSA-N	1	0	368.437	1.598	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C1CCCCC1	ZINC001127609189	889737595	/nfs/dbraw/zinc/73/75/95/889737595.db2.gz	OMAMOYMWWOZSBL-JQHSSLGASA-N	1	0	365.518	1.853	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)[C@H](C)CC(C)C	ZINC001127609422	889742507	/nfs/dbraw/zinc/74/25/07/889742507.db2.gz	YWNAJIXYPYWQDB-ZACQAIPSSA-N	1	0	353.507	1.566	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H](NC(=O)/C=C/C(=O)NCc2ccc(OC)cc2)C1	ZINC000923550289	889778893	/nfs/dbraw/zinc/77/88/93/889778893.db2.gz	AHZZCABRDBCOMO-DVQDXYAYSA-N	1	0	355.438	1.081	20	30		FDEDRO
Cc1cc(-c2noc(CNC(=O)[C@@H]([NH3+])COC(C)(C)C)n2)ccc1C#N	ZINC001212293025	889815483	/nfs/dbraw/zinc/81/54/83/889815483.db2.gz	NYNFXWQGTPSEMC-AWEZNQCLSA-N	1	0	357.414	1.675	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(C)[nH]c2=O)[C@@H](n2ccnn2)C1	ZINC001129284765	890033933	/nfs/dbraw/zinc/03/39/33/890033933.db2.gz	XFUGAONYAUWORO-OIISXLGYSA-N	1	0	370.457	1.697	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1OC	ZINC001212321132	890110907	/nfs/dbraw/zinc/11/09/07/890110907.db2.gz	SLTGYJWAKOJFTD-GVDBMIGSSA-N	1	0	359.474	1.349	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(c3ncc(C#N)cc3Cl)C2)CC[N@@H+]1C	ZINC001063057469	890159858	/nfs/dbraw/zinc/15/98/58/890159858.db2.gz	ZOFTXICUUZJQKN-BPLDGKMQSA-N	1	0	361.877	1.984	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1	ZINC001063205038	890294410	/nfs/dbraw/zinc/29/44/10/890294410.db2.gz	ARYLGCUVMJERGT-BQFCYCMXSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1	ZINC000249181031	890302980	/nfs/dbraw/zinc/30/29/80/890302980.db2.gz	NGCYWRHCJLVIQC-RHSMWYFYSA-N	1	0	372.469	1.340	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)CN2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c1C	ZINC000249204335	890309062	/nfs/dbraw/zinc/30/90/62/890309062.db2.gz	ASNSCLAWHBONIA-ROUUACIJSA-N	1	0	372.513	1.937	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(NC(=O)CCC[NH+](C)C)CCC1	ZINC001063214921	890341059	/nfs/dbraw/zinc/34/10/59/890341059.db2.gz	XIOOIMOHSVBFHC-CVEARBPZSA-N	1	0	351.491	1.465	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCCN(c3cncc(C#N)n3)C2)CC[N@@H+]1C	ZINC001063240877	890376405	/nfs/dbraw/zinc/37/64/05/890376405.db2.gz	HYNHISJWJQOZFC-HYVNUMGLSA-N	1	0	356.474	1.554	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)CC[NH+](C)C)CC1	ZINC001079069022	890493625	/nfs/dbraw/zinc/49/36/25/890493625.db2.gz	WXWOHCFCPLEZAI-KURKYZTESA-N	1	0	365.518	1.759	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccc3oc(C)nc3c2)[C@H](OC)C1	ZINC001212446306	892416047	/nfs/dbraw/zinc/41/60/47/892416047.db2.gz	PDYDYGLVDCNVBA-SJLPKXTDSA-N	1	0	359.426	1.768	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CN(C(=O)C[N@@H+](C)CCC)C2)CC1	ZINC001061064561	892417969	/nfs/dbraw/zinc/41/79/69/892417969.db2.gz	IDUSWELXESQBKS-SJORKVTESA-N	1	0	363.502	1.370	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1	ZINC000265777640	892514635	/nfs/dbraw/zinc/51/46/35/892514635.db2.gz	JUSUNCJVGWMQQA-MRXNPFEDSA-N	1	0	370.453	1.982	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(CCOC)CCC2)C[C@H]1C	ZINC001106920829	892562648	/nfs/dbraw/zinc/56/26/48/892562648.db2.gz	KUMPKXMSCVIXQW-IXDOHACOSA-N	1	0	365.518	1.568	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(C)C)[C@H](C)C1	ZINC001106922742	892597391	/nfs/dbraw/zinc/59/73/91/892597391.db2.gz	KFIPHLOVBNJWBE-YLJYHZDGSA-N	1	0	369.509	1.667	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC001002406392	892851356	/nfs/dbraw/zinc/85/13/56/892851356.db2.gz	RILFIODOYHVQLZ-FGTMMUONSA-N	1	0	371.485	1.680	20	30		FDEDRO
CC#CCCCC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2	ZINC001061089797	892947814	/nfs/dbraw/zinc/94/78/14/892947814.db2.gz	FZHAHLCDZGGSRJ-QZTJIDSGSA-N	1	0	359.514	1.971	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2c(Cl)nn(C)c2C)C[C@H]1C	ZINC001106928470	892984780	/nfs/dbraw/zinc/98/47/80/892984780.db2.gz	RNLXWJZTDDKNNX-TZMCWYRMSA-N	1	0	354.882	1.882	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CO[C@H](C)c2nccn2C)C[C@H]1C	ZINC001106929819	893013136	/nfs/dbraw/zinc/01/31/36/893013136.db2.gz	SJPIJOQGSPGXMN-BPLDGKMQSA-N	1	0	354.882	1.934	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C(F)(F)F)CC[C@@H]2C)CC1	ZINC000672355509	893175528	/nfs/dbraw/zinc/17/55/28/893175528.db2.gz	ZEGIDOSSDPIBCJ-QWHCGFSZSA-N	1	0	361.408	1.942	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCO[C@@H](c3ccccc3)C2)CC1	ZINC000672354847	893217315	/nfs/dbraw/zinc/21/73/15/893217315.db2.gz	PNYJHRLZZMRBRK-LJQANCHMSA-N	1	0	371.481	1.743	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C(C)(C)C1	ZINC000940811378	893277397	/nfs/dbraw/zinc/27/73/97/893277397.db2.gz	IMJWPMIXQWKPER-BPQIPLTHSA-N	1	0	358.486	1.831	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2CN(C)C(=O)[C@]23C[C@H]2CCC3)CC1	ZINC001002595867	893343017	/nfs/dbraw/zinc/34/30/17/893343017.db2.gz	WQKRJACBFWOUCY-XQBPLPMBSA-N	1	0	371.525	1.971	20	30		FDEDRO
CCc1ccc(OCC(=O)N2C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C2)cc1	ZINC001106944216	893490623	/nfs/dbraw/zinc/49/06/23/893490623.db2.gz	WTOMRJARZQNOEC-IEBWSBKVSA-N	1	0	358.482	1.962	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(Cc3ccc(C#N)c(F)c3)C[C@H]21	ZINC001084231585	913779390	/nfs/dbraw/zinc/77/93/90/913779390.db2.gz	FAYOWWKAZKZEBF-NZSAHSFTSA-N	1	0	356.445	1.824	20	30		FDEDRO
Cn1nc2c(c1C[NH2+][C@H]1CCCN(c3ccc(C#N)cc3)C1=O)COCC2	ZINC000921978984	893717517	/nfs/dbraw/zinc/71/75/17/893717517.db2.gz	BJCNWAWANBJGJO-SFHVURJKSA-N	1	0	365.437	1.650	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1	ZINC000941200624	894098670	/nfs/dbraw/zinc/09/86/70/894098670.db2.gz	QSKZVRLTGHGUSR-AOIWGVFYSA-N	1	0	363.502	1.370	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1	ZINC000941221886	894364013	/nfs/dbraw/zinc/36/40/13/894364013.db2.gz	UOJCBCJYLTTZSD-KSZLIROESA-N	1	0	363.502	1.513	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1	ZINC000922022799	894400709	/nfs/dbraw/zinc/40/07/09/894400709.db2.gz	AXFXMZUKUFSEOS-UHFFFAOYSA-N	1	0	359.451	1.246	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cncc(Br)c1	ZINC000922023817	894430968	/nfs/dbraw/zinc/43/09/68/894430968.db2.gz	MOIJXKKLZWANLR-UHFFFAOYSA-N	1	0	372.288	1.562	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)C[C@H](C)COC1CCCC1	ZINC000922022200	894487644	/nfs/dbraw/zinc/48/76/44/894487644.db2.gz	JNWPSDGKTGSVGJ-MRXNPFEDSA-N	1	0	356.532	1.941	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1C[C@@H](OCC)C12CCOCC2)C1CC[NH+](C)CC1	ZINC000922025173	894533745	/nfs/dbraw/zinc/53/37/45/894533745.db2.gz	QWEZTFFABBJTGT-QZTJIDSGSA-N	1	0	363.502	1.700	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)C[C@@H](OC)C1CCCCC1	ZINC000922025859	894537068	/nfs/dbraw/zinc/53/70/68/894537068.db2.gz	PQYHJYQYZXLCNG-GOSISDBHSA-N	1	0	356.532	1.941	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1	ZINC000941319866	894752001	/nfs/dbraw/zinc/75/20/01/894752001.db2.gz	IHFVWTORASERCS-SQNIBIBYSA-N	1	0	363.502	1.513	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(C2C[NH+](C[C@@H](CC)OC)C2)CC1	ZINC000941412501	894935224	/nfs/dbraw/zinc/93/52/24/894935224.db2.gz	HZNKHVHWPBVQOA-QRVBRYPASA-N	1	0	365.518	1.221	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1	ZINC000941785962	895690643	/nfs/dbraw/zinc/69/06/43/895690643.db2.gz	NKIDDAYQJCDVGO-IAGOWNOFSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H](OC)C2)CC1	ZINC000942003614	896128973	/nfs/dbraw/zinc/12/89/73/896128973.db2.gz	HMLJRENDLNTUJQ-VDHUWJSZSA-N	1	0	363.502	1.415	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCO[C@H]3C=C)nn2)C1	ZINC000999987030	896518904	/nfs/dbraw/zinc/51/89/04/896518904.db2.gz	MYPMDHWTPGUHDS-KURKYZTESA-N	1	0	357.458	1.146	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3ccncc3)nn2)C1	ZINC000999987418	896520496	/nfs/dbraw/zinc/52/04/96/896520496.db2.gz	NYYPXRZDBYONRN-OKZBNKHCSA-N	1	0	352.442	1.526	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@]34CCC[C@H]3OCC4)nn2)C1	ZINC001000001113	896552991	/nfs/dbraw/zinc/55/29/91/896552991.db2.gz	BBXWAGXQSHCKQU-LMMKCTJWSA-N	1	0	359.474	1.676	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cnn3c2CCCC3)[C@H](OC)C1	ZINC001212426272	896744801	/nfs/dbraw/zinc/74/48/01/896744801.db2.gz	VASMLZCEIFONMD-KVSKMBFKSA-N	1	0	360.502	1.932	20	30		FDEDRO
CC#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)CC2(CCOCC2)C1	ZINC001089948505	896822284	/nfs/dbraw/zinc/82/22/84/896822284.db2.gz	XPFXCFGKTOSVMN-QRVBRYPASA-N	1	0	360.498	1.812	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1	ZINC001083795271	896828237	/nfs/dbraw/zinc/82/82/37/896828237.db2.gz	QLNAFBBSDOXIOZ-XDNAFOTISA-N	1	0	363.889	1.246	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2c(C)cc(C)nc2C)C1	ZINC000942447904	897018628	/nfs/dbraw/zinc/01/86/28/897018628.db2.gz	PMCXDIULDPTSRX-ZACQAIPSSA-N	1	0	357.454	1.929	20	30		FDEDRO
C=CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1	ZINC001108004485	897062129	/nfs/dbraw/zinc/06/21/29/897062129.db2.gz	UXJPHKBJXBMQPU-MDZRGWNJSA-N	1	0	362.474	1.281	20	30		FDEDRO
N#Cc1ccccc1CN1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1	ZINC001084349568	914137256	/nfs/dbraw/zinc/13/72/56/914137256.db2.gz	RQUFBQVICSFQFI-QHAWAJNXSA-N	1	0	364.493	1.933	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(=O)n(CCC)n2)C[C@H]1C	ZINC001106970973	897213855	/nfs/dbraw/zinc/21/38/55/897213855.db2.gz	DPCAFCWZJBYZOI-TZMCWYRMSA-N	1	0	352.866	1.704	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)s1	ZINC001084349616	914140059	/nfs/dbraw/zinc/14/00/59/914140059.db2.gz	SUMMUOQOEFSQST-ATZDWAIDSA-N	1	0	370.522	1.994	20	30		FDEDRO
C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC2(CCOCC2)C1	ZINC001089957382	897272858	/nfs/dbraw/zinc/27/28/58/897272858.db2.gz	MGQFUNJEBKYMJD-OKZBNKHCSA-N	1	0	356.470	1.144	20	30		FDEDRO
C=C(C)C[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@H]3OCC[C@H]3C)C2)n1	ZINC001128118097	897301621	/nfs/dbraw/zinc/30/16/21/897301621.db2.gz	KSEXNZHVVSXQTJ-AYBZRNKSSA-N	1	0	358.486	1.867	20	30		FDEDRO
CN1CC[NH+](CCC(C)(C)NC(=O)Cc2ccc(OCC#N)cc2)CC1	ZINC000184220209	897369308	/nfs/dbraw/zinc/36/93/08/897369308.db2.gz	QJXHFJMTLFFGAE-UHFFFAOYSA-N	1	0	358.486	1.664	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccc3nc(C)oc3c2)[C@H](OC)C1	ZINC001212433496	897459073	/nfs/dbraw/zinc/45/90/73/897459073.db2.gz	YUTSNVNIPSEVBC-SJLPKXTDSA-N	1	0	359.426	1.768	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(Cc2cccnc2)C[C@H]2CCN(CC#N)C2)CC[N@@H+]1C	ZINC000995267935	897652989	/nfs/dbraw/zinc/65/29/89/897652989.db2.gz	QQKAEMSKCRFMBM-SLFFLAALSA-N	1	0	369.513	1.986	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCCC2=CCN(c3ncccc3C#N)CC2)CC[N@@H+]1C	ZINC001089870194	897814934	/nfs/dbraw/zinc/81/49/34/897814934.db2.gz	MOFXCIFEJFNKBW-CRAIPNDOSA-N	1	0	353.470	1.936	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOC)CC2(CCOCC2)C1	ZINC001089965459	897907398	/nfs/dbraw/zinc/90/73/98/897907398.db2.gz	QFDFFBVWBRPODB-BZSNNMDCSA-N	1	0	366.502	1.601	20	30		FDEDRO
CCN1C[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)CC1=O	ZINC001084386556	914241500	/nfs/dbraw/zinc/24/15/00/914241500.db2.gz	HTYOKNIUGUGSPN-GUDVDZBRSA-N	1	0	366.465	1.459	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCC1(CCOCc2ccccc2)CC1	ZINC000184647142	898362110	/nfs/dbraw/zinc/36/21/10/898362110.db2.gz	XCDOECLLNSELKC-UHFFFAOYSA-N	1	0	374.529	1.871	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N[C@@H]2C[N@H+](CC[C@@H](C)F)C[C@H]2O)cc1	ZINC001078243451	898506781	/nfs/dbraw/zinc/50/67/81/898506781.db2.gz	MDVIHUHDHIRCOC-ZTFGCOKTSA-N	1	0	350.434	1.703	20	30		FDEDRO
C#CCCCCC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2	ZINC001060976172	898714107	/nfs/dbraw/zinc/71/41/07/898714107.db2.gz	KUGDAQUFMTZWOS-QZTJIDSGSA-N	1	0	359.514	1.971	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cnc(C)o2)C1	ZINC001078402420	898734172	/nfs/dbraw/zinc/73/41/72/898734172.db2.gz	NBKQPARUEQRNKT-KURKYZTESA-N	1	0	363.458	1.671	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cccnc2)C1	ZINC001078402698	898735817	/nfs/dbraw/zinc/73/58/17/898735817.db2.gz	VQSXFTJTKQFPMP-QRVBRYPASA-N	1	0	359.470	1.770	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccn(CC)n2)C1	ZINC001078473636	898805580	/nfs/dbraw/zinc/80/55/80/898805580.db2.gz	GNWLLXDJBYWYHX-KSZLIROESA-N	1	0	362.474	1.201	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2ccns2)C1	ZINC001078473574	898806061	/nfs/dbraw/zinc/80/60/61/898806061.db2.gz	DQGUHDQMBARGLP-BMFZPTHFSA-N	1	0	351.472	1.441	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CCCO2)cc1	ZINC001078475624	898815813	/nfs/dbraw/zinc/81/58/13/898815813.db2.gz	SKSXPXHZTJEBEW-WCIQWLHISA-N	1	0	369.465	1.833	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@]2(CNC(=O)c3c[nH+]ccc3N(C)C)CCC[C@@H]12	ZINC000995348912	898857627	/nfs/dbraw/zinc/85/76/27/898857627.db2.gz	WVAWGLYZVAGOCY-JNAXZKDPSA-N	1	0	369.469	1.808	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CCOC2)C3)CC1	ZINC001001772913	899306156	/nfs/dbraw/zinc/30/61/56/899306156.db2.gz	QRJPBLJQWRKGLT-OWYHZJEWSA-N	1	0	373.497	1.006	20	30		FDEDRO
CCN1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CC#Cc3ccccc3)[C@H](C)C2)C1	ZINC001107008925	899484614	/nfs/dbraw/zinc/48/46/14/899484614.db2.gz	CPWNEBPACHIYIG-HMXCVIKNSA-N	1	0	369.509	1.443	20	30		FDEDRO
CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C	ZINC001107017245	899554716	/nfs/dbraw/zinc/55/47/16/899554716.db2.gz	QFCMIKPDYYOPDK-IEBWSBKVSA-N	1	0	355.482	1.591	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](F)Cc2ccccc2)C[C@H]1C	ZINC001107020039	899594162	/nfs/dbraw/zinc/59/41/62/899594162.db2.gz	AUKBLLXPQKMFAX-KBAYOESNSA-N	1	0	361.461	1.554	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](F)Cc2ccccc2)C[C@H]1C	ZINC001107020040	899594466	/nfs/dbraw/zinc/59/44/66/899594466.db2.gz	AUKBLLXPQKMFAX-NXHRZFHOSA-N	1	0	361.461	1.554	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(CC=C)CCCCC2)C[C@H]1C	ZINC001107020564	899598027	/nfs/dbraw/zinc/59/80/27/899598027.db2.gz	NZEVYQCNFNTEKB-QZTJIDSGSA-N	1	0	359.514	1.947	20	30		FDEDRO
CN1CC[C@H](CC(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)C1=O	ZINC001084430325	914364521	/nfs/dbraw/zinc/36/45/21/914364521.db2.gz	JTXXAXNVTRLOIZ-GUDVDZBRSA-N	1	0	366.465	1.459	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCn2cc(Cl)cn2)C[C@H]1C	ZINC001107025195	899625653	/nfs/dbraw/zinc/62/56/53/899625653.db2.gz	NRIIOHQBFVCPDW-HUUCEWRRSA-N	1	0	352.866	1.261	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2sccc2CC)C[C@H]1C	ZINC001107026123	899629202	/nfs/dbraw/zinc/62/92/02/899629202.db2.gz	JQUBJHFIMKZZDU-IIAWOOMASA-N	1	0	361.511	1.746	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)C2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001107040953	900048969	/nfs/dbraw/zinc/04/89/69/900048969.db2.gz	UKTHPJALXDIWRQ-MISYRCLQSA-N	1	0	367.493	1.591	20	30		FDEDRO
CCCC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)C(C)C	ZINC001107048562	900133232	/nfs/dbraw/zinc/13/32/32/900133232.db2.gz	YZDISWNTSQSTAY-ZACQAIPSSA-N	1	0	350.507	1.773	20	30		FDEDRO
CC(C)c1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)s1	ZINC001107051851	900144459	/nfs/dbraw/zinc/14/44/59/900144459.db2.gz	QDECPYWMZTVJIX-ZIAGYGMSSA-N	1	0	362.499	1.809	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccccc2)[C@H](C)C1	ZINC001107059190	900313076	/nfs/dbraw/zinc/31/30/76/900313076.db2.gz	XDMPDQZFJISEBP-IAGOWNOFSA-N	1	0	359.470	1.902	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3cnnn3C)[C@H](C)C2)CCCCC1	ZINC001107059226	900314443	/nfs/dbraw/zinc/31/44/43/900314443.db2.gz	YRPFCYFWSWOYRW-IAGOWNOFSA-N	1	0	357.502	1.973	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C(C)C)[C@H](C)C1	ZINC001107063034	900392507	/nfs/dbraw/zinc/39/25/07/900392507.db2.gz	ZYGQUJQCAZNEST-RBSFLKMASA-N	1	0	350.467	1.029	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CCC2)[C@H](C)C1	ZINC001107063002	900392617	/nfs/dbraw/zinc/39/26/17/900392617.db2.gz	YSSCWFRSSPZSHD-HLLBOEOZSA-N	1	0	351.491	1.178	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nc(CCC)no2)[C@H](C)C1	ZINC001107063737	900450965	/nfs/dbraw/zinc/45/09/65/900450965.db2.gz	YUBWZDGLYYUNHD-RBSFLKMASA-N	1	0	350.463	1.797	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CCOC[C@H]2CCCCO2)[C@H](C)C1	ZINC001107065827	900457377	/nfs/dbraw/zinc/45/73/77/900457377.db2.gz	YXHDEIWMYCCLNW-GUDVDZBRSA-N	1	0	368.518	1.849	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(c3cc(C)ncc3C#N)CCO2)CC[N@@H+]1C	ZINC001063670567	901092571	/nfs/dbraw/zinc/09/25/71/901092571.db2.gz	LDPKITAWLYXUJF-OKZBNKHCSA-N	1	0	371.485	1.313	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(C[C@H]2CC[N@H+](CCc3ccccc3)C2)C1=O	ZINC000348417497	901311331	/nfs/dbraw/zinc/31/13/31/901311331.db2.gz	LLJKGEMWNYMBKV-ZWKOTPCHSA-N	1	0	357.454	1.674	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CCN(c4cnc(C#N)cn4)C3)C2)CC[N@@H+]1C	ZINC001064650373	901520798	/nfs/dbraw/zinc/52/07/98/901520798.db2.gz	WTENIVXJADBEIX-SQGPQFPESA-N	1	0	368.485	1.507	20	30		FDEDRO
N#Cc1cnc(N2C[C@@H]3CCN(C(=O)CCCC[NH+]4CCCC4)[C@@H]3C2)cn1	ZINC001090325637	901699881	/nfs/dbraw/zinc/69/98/81/901699881.db2.gz	GUNWMYMRIRMIND-FUHWJXTLSA-N	1	0	368.485	1.651	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@@H]4CCC(=O)NC4)[C@@H]3C2)cc1	ZINC001084399990	914569283	/nfs/dbraw/zinc/56/92/83/914569283.db2.gz	FCXQSAITGWNXHP-IPMKNSEASA-N	1	0	366.465	1.507	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnccn2)C1	ZINC001079122564	901919195	/nfs/dbraw/zinc/91/91/95/901919195.db2.gz	HFDMWTKCWKYUGJ-RTBURBONSA-N	1	0	352.438	1.740	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnn(C)n2)C1	ZINC001079146189	901962525	/nfs/dbraw/zinc/96/25/25/901962525.db2.gz	YFQDZORPXUWVPM-RTBURBONSA-N	1	0	369.469	1.469	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)CC[C@H]1c1ccc(F)cc1	ZINC001079152547	901988390	/nfs/dbraw/zinc/98/83/90/901988390.db2.gz	QTIQGZRMDPSGGV-BPQIPLTHSA-N	1	0	357.429	1.211	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCCOCC2)C1	ZINC001079133367	901991562	/nfs/dbraw/zinc/99/15/62/901991562.db2.gz	CUBNWQLEOJWVGK-PWRODBHTSA-N	1	0	370.493	1.900	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]Cc2nccn2C)C1	ZINC001079175135	902059778	/nfs/dbraw/zinc/05/97/78/902059778.db2.gz	XJPWVZHLPACLFG-XOKHGSTOSA-N	1	0	355.417	1.803	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cn2cncc2C)CC[C@H]1c1ccc(F)cc1	ZINC001079155762	902073109	/nfs/dbraw/zinc/07/31/09/902073109.db2.gz	RTTWVXAXIBECON-RBUKOAKNSA-N	1	0	354.429	1.938	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)CC[C@H]1c1ccc(F)cc1	ZINC001079156816	902075081	/nfs/dbraw/zinc/07/50/81/902075081.db2.gz	JSVOZHSOFZQOQG-UEXGIBASSA-N	1	0	371.456	1.649	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)CC[C@H]1c1ccc(F)cc1	ZINC001079157834	902077878	/nfs/dbraw/zinc/07/78/78/902077878.db2.gz	DMLXRDIOLGKWCL-QKLQHJQFSA-N	1	0	357.429	1.402	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[NH+](CCCCCNC(=O)[C@@H]2C[C@H]2C2CC2)CC1	ZINC001079160584	902083330	/nfs/dbraw/zinc/08/33/30/902083330.db2.gz	AUNUKYMXAUWDDY-BPQIPLTHSA-N	1	0	360.502	1.623	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc3cccnn32)C[C@H]1c1cccc(F)c1	ZINC001079201851	902101972	/nfs/dbraw/zinc/10/19/72/902101972.db2.gz	FOOISTGBUZJRAL-DLBZAZTESA-N	1	0	363.396	1.699	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@H]1c1cccc(F)c1	ZINC001079202217	902103135	/nfs/dbraw/zinc/10/31/35/902103135.db2.gz	SFNDAXRHGZJVQO-OKZBNKHCSA-N	1	0	359.445	1.955	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1c1cccc(F)c1	ZINC001079211274	902103387	/nfs/dbraw/zinc/10/33/87/902103387.db2.gz	ZKZSCKFMQZDTBW-JKSUJKDBSA-N	1	0	358.417	1.247	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1c1cccc(F)c1	ZINC001079209972	902119027	/nfs/dbraw/zinc/11/90/27/902119027.db2.gz	QZOMMDLGZJVNJO-JKSUJKDBSA-N	1	0	363.824	1.754	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@H]1c1cccc(F)c1	ZINC001079192494	902149440	/nfs/dbraw/zinc/14/94/40/902149440.db2.gz	JTYYJOXKFJHWNQ-QKLQHJQFSA-N	1	0	359.445	1.812	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccnn2C)C[C@H]1c1cccc(F)c1	ZINC001079192588	902150939	/nfs/dbraw/zinc/15/09/39/902150939.db2.gz	PKNOZVGTVFSOAD-AKHDSKFASA-N	1	0	366.440	1.880	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+][C@H]2CCNC2=O)C1	ZINC001079193854	902154641	/nfs/dbraw/zinc/15/46/41/902154641.db2.gz	YLOGWVNIKNJIKH-YESZJQIVSA-N	1	0	359.445	1.810	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3ncccc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079233753	902168321	/nfs/dbraw/zinc/16/83/21/902168321.db2.gz	VHMGPBFSVAOVMV-ZWKOTPCHSA-N	1	0	353.466	1.966	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCOCC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079239120	902183556	/nfs/dbraw/zinc/18/35/56/902183556.db2.gz	CZPMGEOFQCZITP-GBESFXJTSA-N	1	0	360.498	1.766	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3ccc(C)nc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079223729	902227882	/nfs/dbraw/zinc/22/78/82/902227882.db2.gz	IIWGHZPATYJUIF-RBUKOAKNSA-N	1	0	353.466	1.966	20	30		FDEDRO
Cc1cccnc1C[NH+]1CCC2(CN(C(=O)[C@H](C)C#N)[C@@H]3COC[C@@H]32)CC1	ZINC001079228350	902242710	/nfs/dbraw/zinc/24/27/10/902242710.db2.gz	IKQCVVILMKWVCA-ZIFCJYIRSA-N	1	0	368.481	1.989	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079245828	902255925	/nfs/dbraw/zinc/25/59/25/902255925.db2.gz	JULTWMUDZGKURT-VXIBKDFQSA-N	1	0	368.481	1.476	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)Cc3cnc(C)o3)[C@@H]3COC[C@@H]32)CC1	ZINC001079246200	902256681	/nfs/dbraw/zinc/25/66/81/902256681.db2.gz	VSHNBUKNATYMBK-ZWKOTPCHSA-N	1	0	357.454	1.488	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cncc(OC)c3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079248274	902264234	/nfs/dbraw/zinc/26/42/34/902264234.db2.gz	PMIHBFGBJNQBNL-ZWKOTPCHSA-N	1	0	369.465	1.585	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)CN3CCCCC3=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079250027	902266690	/nfs/dbraw/zinc/26/66/90/902266690.db2.gz	HTMSXNIALUCZBL-DLBZAZTESA-N	1	0	361.486	1.124	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)Cn3nc(C)cc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079251271	902272367	/nfs/dbraw/zinc/27/23/67/902272367.db2.gz	OFLJEBWGNZFOEX-ZWKOTPCHSA-N	1	0	356.470	1.073	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3C3CCOCC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079251459	902273244	/nfs/dbraw/zinc/27/32/44/902273244.db2.gz	YICNSPFJUJNYDQ-ZGXWSNOMSA-N	1	0	372.509	1.622	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCNC(=O)CC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079254332	902279623	/nfs/dbraw/zinc/27/96/23/902279623.db2.gz	XLOBKTSSMXMMLG-IXDOHACOSA-N	1	0	361.486	1.028	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC3(CC[NH+](C[C@@H](C)O)CC3)[C@H]3COC[C@H]32)cc1	ZINC001079254793	902283058	/nfs/dbraw/zinc/28/30/58/902283058.db2.gz	VXVRNSRWWUHFPG-LSTHTHJFSA-N	1	0	368.477	1.602	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC3(CC[NH+](CC=C)CC3)[C@H]3COC[C@H]32)c1	ZINC001079259490	902294321	/nfs/dbraw/zinc/29/43/21/902294321.db2.gz	CTRFXKPDRDHHHC-RBUKOAKNSA-N	1	0	351.450	1.802	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3Cc4ccncc4C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079259542	902294734	/nfs/dbraw/zinc/29/47/34/902294734.db2.gz	FQYSAHNUBONETK-YZGWKJHDSA-N	1	0	365.477	1.369	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ocnc3C(F)F)[C@@H]3COC[C@@H]32)CC1	ZINC001079260849	902298509	/nfs/dbraw/zinc/29/85/09/902298509.db2.gz	SIVKLNOCKIPREI-QWHCGFSZSA-N	1	0	365.380	1.798	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH]cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079265383	902310512	/nfs/dbraw/zinc/31/05/12/902310512.db2.gz	GZUSRQMWEMXORD-BPQIPLTHSA-N	1	0	356.470	1.161	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3coc(C4CC4)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079265397	902310729	/nfs/dbraw/zinc/31/07/29/902310729.db2.gz	HOVXXUOYLQORNI-DOTOQJQBSA-N	1	0	355.438	1.738	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cn(CC=C)nn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079265327	902310880	/nfs/dbraw/zinc/31/08/80/902310880.db2.gz	DNANTPLKHBJTHA-FUHWJXTLSA-N	1	0	369.469	1.040	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)C[C@@H]3CCC(=O)N3)[C@@H]3COC[C@@H]32)CC1	ZINC001079265388	902311175	/nfs/dbraw/zinc/31/11/75/902311175.db2.gz	HBESKSGVIXBSOV-YESZJQIVSA-N	1	0	361.486	1.171	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)CCn3cccc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079268077	902319754	/nfs/dbraw/zinc/31/97/54/902319754.db2.gz	LOFKOLPJXOKOQJ-RBUKOAKNSA-N	1	0	355.482	1.841	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc(CC)c[nH]c3=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079268173	902321316	/nfs/dbraw/zinc/32/13/16/902321316.db2.gz	RILOENXCLRZZBF-ZWKOTPCHSA-N	1	0	369.465	1.536	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc(CCC)on3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269332	902325784	/nfs/dbraw/zinc/32/57/84/902325784.db2.gz	SMDFJTOSEDAROV-FUHWJXTLSA-N	1	0	357.454	1.813	20	30		FDEDRO
C=C(Cl)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)[C@@H]2C1	ZINC001084404917	914614363	/nfs/dbraw/zinc/61/43/63/914614363.db2.gz	SDWYIKJDKVVKCX-BPQIPLTHSA-N	1	0	367.921	1.915	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC3(CC[NH+](CC=C)CC3)[C@H]3COC[C@H]32)nc1	ZINC001079270582	902331489	/nfs/dbraw/zinc/33/14/89/902331489.db2.gz	ZWYOYJRNJUOWET-PKOBYXMFSA-N	1	0	351.450	1.802	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc3n[nH]cc3c2)C[C@H]1c1ccccc1F	ZINC001079299211	902341810	/nfs/dbraw/zinc/34/18/10/902341810.db2.gz	CZUDAVQLGNPDML-FUHWJXTLSA-N	1	0	363.396	1.928	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn3c2OCCC3)C[C@H]1c1ccccc1F	ZINC001079302240	902350490	/nfs/dbraw/zinc/35/04/90/902350490.db2.gz	SVNOZENRNBTOCS-FUHWJXTLSA-N	1	0	368.412	1.636	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cn2cc(C3CC3)nn2)C[C@H]1c1ccccc1F	ZINC001079297888	902404813	/nfs/dbraw/zinc/40/48/13/902404813.db2.gz	QOJNUDVLIOFJAX-QFBILLFUSA-N	1	0	367.428	1.512	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cnn(C)c2C)C[C@H]1c1ccccc1F	ZINC001079298010	902404917	/nfs/dbraw/zinc/40/49/17/902404917.db2.gz	YLFSLYPTLFDKSY-PKOBYXMFSA-N	1	0	354.429	1.628	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(C)nnn2CC)C[C@H]1c1ccccc1F	ZINC001079299118	902407865	/nfs/dbraw/zinc/40/78/65/902407865.db2.gz	YGKIWVOEIGXENH-DOTOQJQBSA-N	1	0	355.417	1.577	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cn(C)nc2C)C[C@H]1c1ccccc1F	ZINC001079298957	902407974	/nfs/dbraw/zinc/40/79/74/902407974.db2.gz	PDAGYLPYWGRQJC-PKOBYXMFSA-N	1	0	354.429	1.628	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCN(C(C)=O)C2)C[C@H]1c1ccccc1F	ZINC001079318022	902417374	/nfs/dbraw/zinc/41/73/74/902417374.db2.gz	YOGORLSWZSXUFQ-FBBABVLZSA-N	1	0	371.456	1.601	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N2CCCC2=O)C[C@H]1c1ccccc1F	ZINC001079320949	902422858	/nfs/dbraw/zinc/42/28/58/902422858.db2.gz	SZWOTGJBXKYLLS-QXAKKESOSA-N	1	0	371.456	1.744	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CN(CC)CCO2)C[C@H]1c1ccccc1F	ZINC001079322325	902426198	/nfs/dbraw/zinc/42/61/98/902426198.db2.gz	PFEGGJDRUGKENZ-QXAKKESOSA-N	1	0	359.445	1.064	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@H]1c1ccccc1F	ZINC001079304156	902435455	/nfs/dbraw/zinc/43/54/55/902435455.db2.gz	VSIFRJCIQCNBQO-VPWXQRGCSA-N	1	0	359.445	1.812	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)CN1CCCC1=O	ZINC001079402063	902557141	/nfs/dbraw/zinc/55/71/41/902557141.db2.gz	YIUWJJHBYMRAON-CRAIPNDOSA-N	1	0	370.453	1.148	20	30		FDEDRO
Cc1nn(C)cc1CC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001084412289	914658998	/nfs/dbraw/zinc/65/89/98/914658998.db2.gz	AVGVELKPGWDMCC-UYAOXDASSA-N	1	0	363.465	1.876	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)O1	ZINC001084447431	914665760	/nfs/dbraw/zinc/66/57/60/914665760.db2.gz	MXIOIWFWPYOAJO-HUYLIWGRSA-N	1	0	368.481	1.310	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H](O)Cc2ccc(F)cc2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC001079601349	902900703	/nfs/dbraw/zinc/90/07/03/902900703.db2.gz	UXBJXJDMPLIGBR-UPRAQXHNSA-N	1	0	370.428	1.679	20	30		FDEDRO
CCn1ncc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]2C)n1	ZINC001079662210	903045436	/nfs/dbraw/zinc/04/54/36/903045436.db2.gz	LIDDEWYCSQFSEY-RDTXWAMCSA-N	1	0	368.441	1.451	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccn3c[nH+]cc3c2)c[nH]1	ZINC000996119819	903145365	/nfs/dbraw/zinc/14/53/65/903145365.db2.gz	XZLWCHSRKGRKIU-NJAFHUGGSA-N	1	0	374.404	1.710	20	30		FDEDRO
COc1nc(C)ncc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C	ZINC001079816314	903332625	/nfs/dbraw/zinc/33/26/25/903332625.db2.gz	ZVJQLZJIIJHLKZ-FZKQIMNGSA-N	1	0	365.437	1.916	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[C@@H]1CCC(=O)NC1	ZINC001079836194	903458657	/nfs/dbraw/zinc/45/86/57/903458657.db2.gz	YWXPQWAZIOWDDG-UWWQBHOKSA-N	1	0	354.454	1.411	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1CN(C(=O)CC[N@H+](C)CC)C1	ZINC001079855241	903520598	/nfs/dbraw/zinc/52/05/98/903520598.db2.gz	SKCAZWJPPYCBSH-WMZOPIPTSA-N	1	0	351.491	1.369	20	30		FDEDRO
C=CCCC[NH+]1CC(n2cc(CNC(=O)[C@H]3OCC[C@H]3C(C)C)nn2)C1	ZINC001107172712	903548274	/nfs/dbraw/zinc/54/82/74/903548274.db2.gz	IJUOXPCTMJQSFL-ROUUACIJSA-N	1	0	361.490	1.778	20	30		FDEDRO
CC1(C)CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC000996306719	903661386	/nfs/dbraw/zinc/66/13/86/903661386.db2.gz	XXRNYSKVAYLXOW-IXDOHACOSA-N	1	0	370.453	1.037	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(C#N)c1	ZINC000996402897	903857529	/nfs/dbraw/zinc/85/75/29/903857529.db2.gz	MAQHTHBMGMHMBV-OWSLCNJRSA-N	1	0	369.469	1.621	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C3)cc1	ZINC000996548707	904097798	/nfs/dbraw/zinc/09/77/98/904097798.db2.gz	MWSJPIRZIUPDPO-RDGPPVDQSA-N	1	0	351.450	1.481	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2CC[C@@]3(CNC(=O)Cn4cnnn4)CCC[C@@H]23)c1	ZINC001107278784	904269920	/nfs/dbraw/zinc/26/99/20/904269920.db2.gz	CNDNXEZNTUCMHH-IEBWSBKVSA-N	1	0	365.441	1.106	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]Cc2ncnn2C(C)C)CC1	ZINC000996600234	904313123	/nfs/dbraw/zinc/31/31/23/904313123.db2.gz	FPCBSBVNGAHGOI-SJORKVTESA-N	1	0	361.490	1.921	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]Cc2nnnn2C2CC2)CC1	ZINC000996600918	904318540	/nfs/dbraw/zinc/31/85/40/904318540.db2.gz	NHIWVJIXPVSEMZ-CVEARBPZSA-N	1	0	360.462	1.070	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]C[C@H]2CCc3ncnn32)CC1	ZINC000996601311	904320306	/nfs/dbraw/zinc/32/03/06/904320306.db2.gz	QBTNQHUIUIANEK-ZACQAIPSSA-N	1	0	359.474	1.327	20	30		FDEDRO
COC(=O)NCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccc1C#N)CC2	ZINC001107303372	904389026	/nfs/dbraw/zinc/38/90/26/904389026.db2.gz	RFHHVUQMVUZQLG-YLJYHZDGSA-N	1	0	370.453	1.775	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnnn1C)CC2	ZINC001107318753	904445217	/nfs/dbraw/zinc/44/52/17/904445217.db2.gz	YIXPYXNZHODUNI-SZVBFZGTSA-N	1	0	361.490	1.657	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@]3(CNC(=O)Cc4cc[nH]n4)CCC[C@@H]23)C1=O	ZINC001107347231	904543679	/nfs/dbraw/zinc/54/36/79/904543679.db2.gz	DDJAAOBDLSJGPD-MBOZVWFJSA-N	1	0	371.485	1.100	20	30		FDEDRO
C=CCOCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(C)CC)CC2	ZINC001107350856	904554751	/nfs/dbraw/zinc/55/47/51/904554751.db2.gz	RCQHDDRITGZQIS-YLJYHZDGSA-N	1	0	365.518	1.808	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](CC)SC)CCC[C@@H]12	ZINC001107365582	904569180	/nfs/dbraw/zinc/56/91/80/904569180.db2.gz	XFUDPCCMYAYNDT-HDMKZQKVSA-N	1	0	351.516	1.238	20	30		FDEDRO
C#CCCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCCS(C)(=O)=O)CC2	ZINC001107372416	904599563	/nfs/dbraw/zinc/59/95/63/904599563.db2.gz	GIUPBKASBJHKBV-IEBWSBKVSA-N	1	0	368.543	1.976	20	30		FDEDRO
C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCOC1CCC1)CC2	ZINC001107374642	904606297	/nfs/dbraw/zinc/60/62/97/904606297.db2.gz	YAIJFTHSJTXSAI-YLJYHZDGSA-N	1	0	361.486	1.056	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCOCC3)CCC[C@@H]12	ZINC001107377493	904615548	/nfs/dbraw/zinc/61/55/48/904615548.db2.gz	PHTUXNPHLPCFDS-SQGPQFPESA-N	1	0	363.502	1.466	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(C)CC)CC2	ZINC001107377678	904618002	/nfs/dbraw/zinc/61/80/02/904618002.db2.gz	ZODFLTPTQWWAAP-ATZDWAIDSA-N	1	0	351.491	1.153	20	30		FDEDRO
C#CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCNC(=O)NC(C)C)CC2	ZINC001107384163	904657710	/nfs/dbraw/zinc/65/77/10/904657710.db2.gz	ROJPKAALGBYITN-YLJYHZDGSA-N	1	0	362.518	1.858	20	30		FDEDRO
CO[C@@H]1CN(CC[C@@H]2CC2(Cl)Cl)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC001081507158	904718069	/nfs/dbraw/zinc/71/80/69/904718069.db2.gz	HSLIIFVUFFPWPZ-MRVWCRGKSA-N	1	0	371.268	1.899	20	30		FDEDRO
CO[C@@H]1CN([C@@H](C)c2cnc(C)cn2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC001081507014	904718434	/nfs/dbraw/zinc/71/84/34/904718434.db2.gz	ACJHYPZTFLOICK-JCURWCKSSA-N	1	0	354.414	1.175	20	30		FDEDRO
C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCOC)CC2	ZINC001107401922	904737764	/nfs/dbraw/zinc/73/77/64/904737764.db2.gz	GLTDAEVTHWMZHJ-ZHALLVOQSA-N	1	0	352.475	1.049	20	30		FDEDRO
C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccnc(OC)c1)CC2	ZINC001107404912	904748592	/nfs/dbraw/zinc/74/85/92/904748592.db2.gz	VLGKFSWGERXVKD-WIYYLYMNSA-N	1	0	371.481	1.991	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCc2scnc2C)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC001081554546	904760651	/nfs/dbraw/zinc/76/06/51/904760651.db2.gz	CPENURZZLVHQHH-HUUCEWRRSA-N	1	0	359.455	1.323	20	30		FDEDRO
C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nccnc1C)CC2	ZINC001107401199	904774715	/nfs/dbraw/zinc/77/47/15/904774715.db2.gz	BVODAKXOJZWABY-UYAOXDASSA-N	1	0	356.470	1.686	20	30		FDEDRO
C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCN1CCCC1=O)CC2	ZINC001107401194	904774941	/nfs/dbraw/zinc/77/49/41/904774941.db2.gz	BPAZUEADBUGAKY-YLJYHZDGSA-N	1	0	361.486	1.010	20	30		FDEDRO
C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccc(OC)nc1)CC2	ZINC001107401237	904777248	/nfs/dbraw/zinc/77/72/48/904777248.db2.gz	DGVAHDOVDRSIIU-HGHGUNKESA-N	1	0	371.481	1.989	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)NC(=O)COC)CCC[C@@H]12	ZINC001107417355	904786546	/nfs/dbraw/zinc/78/65/46/904786546.db2.gz	CYNJYYCFPNQQMN-CKEIUWERSA-N	1	0	357.882	1.251	20	30		FDEDRO
CN1CC[NH+](CC2CCN(C(=O)NCc3ccc(C#N)cn3)CC2)CC1	ZINC000764495830	904802410	/nfs/dbraw/zinc/80/24/10/904802410.db2.gz	VVCSVXPJDNYAGU-UHFFFAOYSA-N	1	0	356.474	1.122	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCO[C@H]3C=C)CCC[C@@H]12	ZINC001107410737	904802656	/nfs/dbraw/zinc/80/26/56/904802656.db2.gz	NWJSZVZKNMPVHJ-BMQTXXJKSA-N	1	0	373.497	1.078	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CCNC(=O)COC)CCC[C@@H]12	ZINC001107426233	904846921	/nfs/dbraw/zinc/84/69/21/904846921.db2.gz	KMQRPVBXHGAJHS-VQIMIIECSA-N	1	0	351.491	1.466	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)S(C)(=O)=O)CCC[C@@H]12	ZINC001107426215	904847050	/nfs/dbraw/zinc/84/70/50/904847050.db2.gz	JIGDUNBWFAAPNJ-NVXWUHKLSA-N	1	0	357.520	1.205	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@H](C(C)C)[NH+](C)C)C1	ZINC001080190295	904855360	/nfs/dbraw/zinc/85/53/60/904855360.db2.gz	LBCVZVMZMNHOCA-IXDOHACOSA-N	1	0	351.491	1.223	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccnc4[nH]cnc43)CCC[C@@H]12	ZINC001107422393	904872353	/nfs/dbraw/zinc/87/23/53/904872353.db2.gz	DQKIKXQMAYEMHN-OXQOHEQNSA-N	1	0	367.453	1.582	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)c2cn([C@@H](C)COC)nc2C)[C@H](OC)C1	ZINC001081668903	904912217	/nfs/dbraw/zinc/91/22/17/904912217.db2.gz	WDCDOTAUCGXQGJ-IAOVAPTHSA-N	1	0	350.463	1.404	20	30		FDEDRO
CCc1cccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)n1	ZINC001107438527	904913805	/nfs/dbraw/zinc/91/38/05/904913805.db2.gz	CZECUVYXUVFLJH-YLJYHZDGSA-N	1	0	369.469	1.258	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4n3CCC4)CCC[C@@H]12	ZINC001107439520	904921901	/nfs/dbraw/zinc/92/19/01/904921901.db2.gz	CXLMURPAATZPDP-YLJYHZDGSA-N	1	0	356.470	1.454	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cnc(C4CC4)o3)CCC[C@@H]12	ZINC001107439705	904923148	/nfs/dbraw/zinc/92/31/48/904923148.db2.gz	NOXSZDHBVLHDRY-DNVCBOLYSA-N	1	0	371.441	1.166	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1CCNC(=O)CC1	ZINC001080201037	904936278	/nfs/dbraw/zinc/93/62/78/904936278.db2.gz	YOPAUFJNQFFIJD-ZTFGCOKTSA-N	1	0	354.454	1.411	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)Cn3nc(C)cc3C)CCC[C@@H]12	ZINC001107467381	905047578	/nfs/dbraw/zinc/04/75/78/905047578.db2.gz	LBVRAZLMFUMNCY-UYAOXDASSA-N	1	0	358.486	1.511	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CCCC(=O)N3)CCC[C@@H]12	ZINC001107468020	905049596	/nfs/dbraw/zinc/04/95/96/905049596.db2.gz	ZQLLAFXQORHQJL-SQGPQFPESA-N	1	0	363.502	1.609	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccnnc3C)CCC[C@@H]12	ZINC001107462107	905066578	/nfs/dbraw/zinc/06/65/78/905066578.db2.gz	SUBLNUNFJANQRU-VQIMIIECSA-N	1	0	357.458	1.062	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)cc1	ZINC001107494595	905193781	/nfs/dbraw/zinc/19/37/81/905193781.db2.gz	PQSDECZZCOHBEO-WIYYLYMNSA-N	1	0	364.449	1.282	20	30		FDEDRO
C#CCCCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(N)=O)CC2	ZINC001107500835	905242400	/nfs/dbraw/zinc/24/24/00/905242400.db2.gz	UZURWYZLOLQTQY-DNVCBOLYSA-N	1	0	362.474	1.126	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](CCC)OCC)CCC[C@@H]12	ZINC001107511993	905276113	/nfs/dbraw/zinc/27/61/13/905276113.db2.gz	ZRTNDVFTMCCMDM-SQGPQFPESA-N	1	0	363.502	1.302	20	30		FDEDRO
C#CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3C[C@H]3c3cccnc3)CC2)CC1	ZINC000996789496	905527555	/nfs/dbraw/zinc/52/75/55/905527555.db2.gz	OQCITCOVJICSMX-NSKBAKJYSA-N	1	0	366.509	1.863	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC([NH+]2CCN(CCOC)CC2)CC1	ZINC000996790373	905531207	/nfs/dbraw/zinc/53/12/07/905531207.db2.gz	WTPCQQSIZYZNCA-GMNCBBECSA-N	1	0	365.518	1.269	20	30		FDEDRO
CCn1nc(C)cc1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC#CCOC)CC2	ZINC001107557357	905583553	/nfs/dbraw/zinc/58/35/53/905583553.db2.gz	CGGAJJVTZJXDBX-UYAOXDASSA-N	1	0	358.486	1.836	20	30		FDEDRO
C=CCC(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(N)=O)CC2	ZINC001107560880	905634110	/nfs/dbraw/zinc/63/41/10/905634110.db2.gz	ZYVYBLCPGFIHIQ-FZKQIMNGSA-N	1	0	350.463	1.144	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)Cn3nnnc3C(C)C)CCC[C@@H]12	ZINC001107571015	905649816	/nfs/dbraw/zinc/64/98/16/905649816.db2.gz	NNLWRSQTUYISIG-RHSMWYFYSA-N	1	0	366.897	1.910	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2COCCN2C2CCCC2)[C@H](OC)C1	ZINC001082057922	905666422	/nfs/dbraw/zinc/66/64/22/905666422.db2.gz	KFRCSSUPBBGCTA-KZNAEPCWSA-N	1	0	351.491	1.021	20	30		FDEDRO
C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)Nc1ccncc1C#N	ZINC001098288521	905704943	/nfs/dbraw/zinc/70/49/43/905704943.db2.gz	PAIYXRIOCRPZJQ-IPELMVKDSA-N	1	0	363.465	1.637	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1CN(C(=O)CCCC[NH+](C)C)C1	ZINC001080574808	905726010	/nfs/dbraw/zinc/72/60/10/905726010.db2.gz	RLAUPMYKMNVMEJ-SJORKVTESA-N	1	0	351.491	1.369	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnn(CCOCC)c3)CCC[C@@H]12	ZINC001107588803	905798052	/nfs/dbraw/zinc/79/80/52/905798052.db2.gz	SPXKZZJQCDDFDI-UYAOXDASSA-N	1	0	358.486	1.917	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC2CC3(CC([NH3+])C3)C2)cc1Br	ZINC000842796299	905836182	/nfs/dbraw/zinc/83/61/82/905836182.db2.gz	CSYCFDXBKSXMPO-UHFFFAOYSA-N	1	0	370.272	1.869	20	30		FDEDRO
C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)nc1	ZINC001077633226	905870416	/nfs/dbraw/zinc/87/04/16/905870416.db2.gz	HWBIYCPBBKVTAB-QILLFSRXSA-N	1	0	356.470	1.418	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)CN3CCC(=O)NC3=O)CCC[C@@H]12	ZINC001107599835	905905524	/nfs/dbraw/zinc/90/55/24/905905524.db2.gz	LPLVFRZACKIDFR-CXAGYDPISA-N	1	0	368.865	1.042	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)CCCOC)CCC[C@@H]12	ZINC001107601236	905914220	/nfs/dbraw/zinc/91/42/20/905914220.db2.gz	NDUDIGDSCCDRKI-MBOZVWFJSA-N	1	0	363.502	1.159	20	30		FDEDRO
C=C(Br)CN1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H](OC)C1	ZINC001082135114	905940991	/nfs/dbraw/zinc/94/09/91/905940991.db2.gz	PEBCPTSJLSHSOL-MRVWCRGKSA-N	1	0	360.296	1.052	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1	ZINC001082138239	905957890	/nfs/dbraw/zinc/95/78/90/905957890.db2.gz	VENJBNOVEYNRRG-RTBURBONSA-N	1	0	370.497	1.606	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC)CC3)cn1	ZINC001107610125	905967767	/nfs/dbraw/zinc/96/77/67/905967767.db2.gz	PBDIFVRJCITKRY-YLJYHZDGSA-N	1	0	354.454	1.173	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC=C)CC3)nc1	ZINC001107613829	905988685	/nfs/dbraw/zinc/98/86/85/905988685.db2.gz	AIKJVSRFQYPLRO-WIYYLYMNSA-N	1	0	366.465	1.340	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)Cn3nc(C)ccc3=O)CCC[C@@H]12	ZINC001107616083	906006917	/nfs/dbraw/zinc/00/69/17/906006917.db2.gz	SEFBLEDRZVDEIS-CRAIPNDOSA-N	1	0	364.877	1.665	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)C)CCC[C@@H]12	ZINC001107616618	906011475	/nfs/dbraw/zinc/01/14/75/906011475.db2.gz	GDBYRPNPKAKEKH-AUUYWEPGSA-N	1	0	364.490	1.405	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CN3C(=O)CN(C)C3=O)CCC[C@@H]12	ZINC001107627780	906096805	/nfs/dbraw/zinc/09/68/05/906096805.db2.gz	DUFGEYZQUPWHNY-DNVCBOLYSA-N	1	0	362.474	1.207	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)CCCN3C(=O)CNC3=O)CCC[C@@H]12	ZINC001107628384	906100409	/nfs/dbraw/zinc/10/04/09/906100409.db2.gz	VEFBMZUMPYLZHC-DNVCBOLYSA-N	1	0	362.474	1.255	20	30		FDEDRO
COc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)nn1	ZINC001080721587	906122833	/nfs/dbraw/zinc/12/28/33/906122833.db2.gz	YQCQZMRYAHAKHW-CXAGYDPISA-N	1	0	351.410	1.607	20	30		FDEDRO
C=CCn1c(-c2cnccn2)nn(CN2CC[C@H](C[NH+](C)C)C2)c1=S	ZINC000765009085	906220535	/nfs/dbraw/zinc/22/05/35/906220535.db2.gz	ALYITULOFJRCMO-CQSZACIVSA-N	1	0	359.503	1.898	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCc4ccccc43)C[C@H]2O)c1	ZINC001077649980	906227238	/nfs/dbraw/zinc/22/72/38/906227238.db2.gz	NOYVPLUNKYQISS-QHAWAJNXSA-N	1	0	361.445	1.915	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(C)(C)C)CC2	ZINC001107650956	906228471	/nfs/dbraw/zinc/22/84/71/906228471.db2.gz	NRCBZMAPKTZWNP-RZQQEMMASA-N	1	0	365.518	1.853	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1C	ZINC001080805140	906285129	/nfs/dbraw/zinc/28/51/29/906285129.db2.gz	CRLJEEXDKFZDLF-SOLBZPMBSA-N	1	0	357.454	1.570	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1C	ZINC001080806713	906290192	/nfs/dbraw/zinc/29/01/92/906290192.db2.gz	CAHLCPCHQMEVNW-SOLBZPMBSA-N	1	0	357.454	1.713	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCC(F)(F)C3)C[C@H]2OC)nn1	ZINC001082212743	906296823	/nfs/dbraw/zinc/29/68/23/906296823.db2.gz	CQOBGSWDSOSJMD-GZBFAFLISA-N	1	0	369.416	1.329	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1OC	ZINC001082227570	906421600	/nfs/dbraw/zinc/42/16/00/906421600.db2.gz	STNSTZQIBOWZCI-JJXSEGSLSA-N	1	0	358.429	1.828	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C2	ZINC001112539044	906632939	/nfs/dbraw/zinc/63/29/39/906632939.db2.gz	IEJDNYPMPKYDPV-YJBOKZPZSA-N	1	0	356.532	1.994	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)C[N@@H+](C)C(C)C	ZINC001082302635	906685089	/nfs/dbraw/zinc/68/50/89/906685089.db2.gz	AWSZUYPPVIPKQM-BBWFWOEESA-N	1	0	351.491	1.415	20	30		FDEDRO
Cc1csc(=O)n1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C	ZINC001080925954	906693062	/nfs/dbraw/zinc/69/30/62/906693062.db2.gz	UEDYOUZWRWUOHH-CXAGYDPISA-N	1	0	370.478	1.727	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CC(C)(C)CO3)C[C@H]2OC)nc1	ZINC001082333374	906826333	/nfs/dbraw/zinc/82/63/33/906826333.db2.gz	DXJFRACBTITMDS-CGTJXYLNSA-N	1	0	357.454	1.307	20	30		FDEDRO
CC#CC[NH2+][C@H]1CCN(c2cccc(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)n2)C1	ZINC001127852822	906912250	/nfs/dbraw/zinc/91/22/50/906912250.db2.gz	XXKUANCYZVVBSB-MANSERQUSA-N	1	0	368.481	1.457	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)s1	ZINC000997008662	906912499	/nfs/dbraw/zinc/91/24/99/906912499.db2.gz	BLRJZEHNZZGIIE-OLZOCXBDSA-N	1	0	360.483	1.602	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2nnc(C(C)(C)C)[nH]2)CC1	ZINC000997011134	906923367	/nfs/dbraw/zinc/92/33/67/906923367.db2.gz	JENLHTIHRRSTRA-CABCVRRESA-N	1	0	361.490	1.774	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2nnnn2CCCC)CC1	ZINC000997012312	906927837	/nfs/dbraw/zinc/92/78/37/906927837.db2.gz	PVLLHFIPMWVWGJ-CVEARBPZSA-N	1	0	362.478	1.145	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccc3nonc3c2)CC1	ZINC000997013108	906931888	/nfs/dbraw/zinc/93/18/88/906931888.db2.gz	YTYIBSHJZBCOFZ-QAPCUYQASA-N	1	0	356.426	1.895	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCc2cccc(OC)c2)C[C@H]1O	ZINC001077698919	906969514	/nfs/dbraw/zinc/96/95/14/906969514.db2.gz	GUQMJJMMJVEHDM-WTGUMLROSA-N	1	0	374.481	1.380	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(CC(=C)Br)C[C@H]2C)CC1	ZINC001080998060	906974325	/nfs/dbraw/zinc/97/43/25/906974325.db2.gz	QWELFGLDLSMSIZ-CZUORRHYSA-N	1	0	368.319	1.677	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(OCC#N)c2)CC1	ZINC000727039679	907023400	/nfs/dbraw/zinc/02/34/00/907023400.db2.gz	MCDJFCZPAZJWRY-UHFFFAOYSA-N	1	0	374.441	1.145	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COC[C@H]1CCOC1)C2	ZINC001112539417	907078822	/nfs/dbraw/zinc/07/88/22/907078822.db2.gz	ZIQLRAFWINCRIY-BJLQDIEVSA-N	1	0	366.502	1.460	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cccc(C(N)=O)c2)CC1	ZINC000997081143	907203334	/nfs/dbraw/zinc/20/33/34/907203334.db2.gz	RBULPOHIGOYFLX-OALUTQOASA-N	1	0	371.481	1.847	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnns2)CC1	ZINC000997081886	907233461	/nfs/dbraw/zinc/23/34/61/907233461.db2.gz	AESICWBLJDJPHE-HOTGVXAUSA-N	1	0	350.488	1.990	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cn2ncc3cccnc32)C[C@H]1c1ccccc1	ZINC001081148652	907263081	/nfs/dbraw/zinc/26/30/81/907263081.db2.gz	UXOQGNIRURREKW-RBUKOAKNSA-N	1	0	359.433	1.649	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCCS2(=O)=O)C[C@H]1c1ccccc1	ZINC001081151654	907266632	/nfs/dbraw/zinc/26/66/32/907266632.db2.gz	OWLMCQWKZJUQIB-FGTMMUONSA-N	1	0	362.495	1.724	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1c1ccccc1	ZINC001081208801	907314804	/nfs/dbraw/zinc/31/48/04/907314804.db2.gz	LBTQLLCICPVFGD-DLBZAZTESA-N	1	0	370.453	1.089	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCO)C1	ZINC001081211315	907318949	/nfs/dbraw/zinc/31/89/49/907318949.db2.gz	PMXIBSAVMQWRTO-ZWKOTPCHSA-N	1	0	367.449	1.837	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(C(C)=O)CCO2)C[C@H]1c1ccccc1	ZINC001081219631	907331779	/nfs/dbraw/zinc/33/17/79/907331779.db2.gz	KWBUAGQRSJOZKC-OTWHNJEPSA-N	1	0	357.454	1.004	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@H]1c1ccccc1	ZINC001081223884	907336434	/nfs/dbraw/zinc/33/64/34/907336434.db2.gz	BAWFBZNILCCJHA-JKSUJKDBSA-N	1	0	365.437	1.349	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H](NC(=O)C2CCN(C(=O)CCC)CC2)[C@H](OC)C1	ZINC001082381644	907355161	/nfs/dbraw/zinc/35/51/61/907355161.db2.gz	URFVZWVIDRETCX-IAGOWNOFSA-N	1	0	351.491	1.417	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(=O)N2CCC(C)CC2)C[C@H]1c1ccccc1	ZINC001081193195	907372130	/nfs/dbraw/zinc/37/21/30/907372130.db2.gz	NQASOJWXHDVGQH-RBUKOAKNSA-N	1	0	353.466	1.462	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN(C(=O)CCC)C2)[C@H](OC)C1	ZINC001082383133	907374090	/nfs/dbraw/zinc/37/40/90/907374090.db2.gz	JVJKMYBMCQYIAV-KZNAEPCWSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccc(C(N)=O)n2)C[C@H]1c1ccccc1	ZINC001081233072	907433469	/nfs/dbraw/zinc/43/34/69/907433469.db2.gz	PUGCMEHGZDZCLJ-MAUKXSAKSA-N	1	0	350.422	1.564	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2ccc(NC(=O)NC)cc2)[C@H](OC)C1	ZINC001082390992	907450520	/nfs/dbraw/zinc/45/05/20/907450520.db2.gz	OPBLAODHDFNMDO-IAGOWNOFSA-N	1	0	360.458	1.833	20	30		FDEDRO
C#CCC[NH2+]Cc1ccncc1O[C@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1	ZINC001127887930	907479580	/nfs/dbraw/zinc/47/95/80/907479580.db2.gz	FYGTYIMBRBOSLU-ZWOKBUDYSA-N	1	0	355.438	1.211	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2CCC(NC(C)=O)CC2)[C@H](OC)C1	ZINC001082397061	907507996	/nfs/dbraw/zinc/50/79/96/907507996.db2.gz	DVJVKMYNBYVXBK-OPQOLIRYSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)[C@H](OC)C1	ZINC001082401057	907545325	/nfs/dbraw/zinc/54/53/25/907545325.db2.gz	YZLIBGUBWZQPDZ-NVXWUHKLSA-N	1	0	358.442	1.674	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082413814	907635467	/nfs/dbraw/zinc/63/54/67/907635467.db2.gz	XXVNBMINJNOBSY-BDJLRTHQSA-N	1	0	355.373	1.443	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cncnc3C)C[C@H]2C)cc1C#N	ZINC001082435558	907715384	/nfs/dbraw/zinc/71/53/84/907715384.db2.gz	KYFVWVBFDPRGAR-FZKQIMNGSA-N	1	0	365.437	1.916	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ccnn3C)C[C@H]2C)cc1C#N	ZINC001082443436	907788414	/nfs/dbraw/zinc/78/84/14/907788414.db2.gz	GEENQWMFCMQYOS-CZUORRHYSA-N	1	0	353.426	1.551	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1[NH2+]CC(=O)N1CCCC[C@@H]1C	ZINC001082464121	907896695	/nfs/dbraw/zinc/89/66/95/907896695.db2.gz	CIVLAFWSFOKXAC-JKIFEVAISA-N	1	0	357.458	1.337	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1[NH2+][C@@H]1CCN(C2CCC2)C1=O	ZINC001082464906	907900028	/nfs/dbraw/zinc/90/00/28/907900028.db2.gz	QFXJEFGHNOGNHV-SRCQZFHVSA-N	1	0	355.442	1.090	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2COC(=O)C2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082474580	907930140	/nfs/dbraw/zinc/93/01/40/907930140.db2.gz	VJJCWUDIAZEVCC-QGPMSJSTSA-N	1	0	371.437	1.479	20	30		FDEDRO
C=C(Br)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001032412504	907937757	/nfs/dbraw/zinc/93/77/57/907937757.db2.gz	ZWHOVKMKNDIQDJ-ZQDZILKHSA-N	1	0	356.308	1.910	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C)C(=O)N1CCCCC1	ZINC001082480464	907950139	/nfs/dbraw/zinc/95/01/39/907950139.db2.gz	UDYRCVFAWDUKFN-CKEIUWERSA-N	1	0	357.458	1.337	20	30		FDEDRO
COCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)nn1	ZINC001082506744	908138821	/nfs/dbraw/zinc/13/88/21/908138821.db2.gz	CCSXCFQRVLNDOE-RHSMWYFYSA-N	1	0	368.441	1.046	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCCCC2)C1	ZINC001082519061	908206995	/nfs/dbraw/zinc/20/69/95/908206995.db2.gz	QOLXGXWJUSLWLP-TVFCKZIOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000997308152	908226273	/nfs/dbraw/zinc/22/62/73/908226273.db2.gz	YPMOZRYZCUNHDN-XWIAVFTESA-N	1	0	354.454	1.396	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@H]1C	ZINC001082523430	908239652	/nfs/dbraw/zinc/23/96/52/908239652.db2.gz	QZLPGPIQDKTKOL-UDUZWTERSA-N	1	0	355.438	1.540	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(C#N)c[nH]1	ZINC000997336840	908258297	/nfs/dbraw/zinc/25/82/97/908258297.db2.gz	LRFRVMJVHBIKAK-FZCLSBEQSA-N	1	0	369.469	1.622	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cccc(F)c3C)C[C@H]2C)C1=O	ZINC001082525723	908266228	/nfs/dbraw/zinc/26/62/28/908266228.db2.gz	GWCNKPWFFUOFCH-FSPWUOQZSA-N	1	0	359.445	1.971	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1	ZINC001082533208	908297624	/nfs/dbraw/zinc/29/76/24/908297624.db2.gz	NIJRWGHUIOCJKI-KWCYVHTRSA-N	1	0	362.923	1.636	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccnn3C(C)C)C[C@H]2C)C1=O	ZINC001082533570	908300301	/nfs/dbraw/zinc/30/03/01/908300301.db2.gz	MAWYVOLUKXYBMY-OWCLPIDISA-N	1	0	359.474	1.301	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CCCCO2)CC1	ZINC000997356949	908311295	/nfs/dbraw/zinc/31/12/95/908311295.db2.gz	HLQYIZDWLIJERK-XWSJACJDSA-N	1	0	373.497	1.149	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C[C@H]1C	ZINC001082528635	908381956	/nfs/dbraw/zinc/38/19/56/908381956.db2.gz	DOJLCKJTAINATA-DAXOMENPSA-N	1	0	353.894	1.824	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC(=O)NC2)C[C@H]1C	ZINC001082554833	908549090	/nfs/dbraw/zinc/54/90/90/908549090.db2.gz	GVXWLVVHENZDJR-KGYLQXTDSA-N	1	0	358.280	1.248	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC(=O)NC2)C[C@H]1C	ZINC001082554834	908549240	/nfs/dbraw/zinc/54/92/40/908549240.db2.gz	GVXWLVVHENZDJR-RAIGVLPGSA-N	1	0	358.280	1.248	20	30		FDEDRO
CCn1nnc(C)c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC001082554853	908549419	/nfs/dbraw/zinc/54/94/19/908549419.db2.gz	HTUQCILOSVFKIE-SJKOYZFVSA-N	1	0	370.432	1.868	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082562814	908646825	/nfs/dbraw/zinc/64/68/25/908646825.db2.gz	NZCOEDHPARGXSX-CXAGYDPISA-N	1	0	351.410	1.397	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cnc(C4CC4)o3)C[C@H]2C)C1=O	ZINC001082567719	908701986	/nfs/dbraw/zinc/70/19/86/908701986.db2.gz	XNDKCSDICURGIH-VHDGCEQUSA-N	1	0	358.442	1.389	20	30		FDEDRO
Cc1cc(=O)c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)cn1C	ZINC001082578260	908758196	/nfs/dbraw/zinc/75/81/96/908758196.db2.gz	XQMMHCYICASZMH-AUUYWEPGSA-N	1	0	364.449	1.816	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC001082579272	908768641	/nfs/dbraw/zinc/76/86/41/908768641.db2.gz	YVHFQRBWEPOCIG-MEBBXXQBSA-N	1	0	357.389	1.685	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCN(C)C2=O)C[C@H]1C	ZINC001082581147	908785962	/nfs/dbraw/zinc/78/59/62/908785962.db2.gz	YAWFWSYVECRAQL-KGYLQXTDSA-N	1	0	358.280	1.200	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CCNC(=O)C2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082589639	908840143	/nfs/dbraw/zinc/84/01/43/908840143.db2.gz	JEZNOUBWIRHTHU-ZTQAJYAQSA-N	1	0	354.454	1.411	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3cncn3C2)C[C@H]1C	ZINC001082604722	908929230	/nfs/dbraw/zinc/92/92/30/908929230.db2.gz	ZLGKCDNHQJFBFM-UXIGCNINSA-N	1	0	367.291	1.791	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ncc(F)cc3F)C[C@H]2C)C1=O	ZINC001082597104	908941893	/nfs/dbraw/zinc/94/18/93/908941893.db2.gz	BHAGKHCCJNVIOX-BYCMXARLSA-N	1	0	364.396	1.197	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1)S(C)(=O)=O	ZINC001082597771	908945680	/nfs/dbraw/zinc/94/56/80/908945680.db2.gz	MUSRKQKTQFOUQD-BFQNTYOBSA-N	1	0	367.446	1.067	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCN(CC)C2=O)C1	ZINC001082599876	908960379	/nfs/dbraw/zinc/96/03/79/908960379.db2.gz	PBDDJIJBBFSRSP-BPQIPLTHSA-N	1	0	371.481	1.922	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C(=O)Nc2ccc(OC)cc2)C[C@H]1C	ZINC001082624413	909105180	/nfs/dbraw/zinc/10/51/80/909105180.db2.gz	HFGDAMKXUBTJDX-IAQYHMDHSA-N	1	0	351.834	1.823	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2ccn(CCOC)n2)C[C@H]1C	ZINC001082635782	909230265	/nfs/dbraw/zinc/23/02/65/909230265.db2.gz	ZQGQWFATPVMNFN-BXUZGUMPSA-N	1	0	371.279	1.488	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2ccc(OCCOC)nc2)[C@H](OC)C1	ZINC001212373480	909325360	/nfs/dbraw/zinc/32/53/60/909325360.db2.gz	PZZBQJHNSJUVJY-IAGOWNOFSA-N	1	0	363.458	1.502	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)Cc2cc(CC)nn2C)C[C@H]1C	ZINC001082655995	909409616	/nfs/dbraw/zinc/40/96/16/909409616.db2.gz	RGPMOZLFHDOECG-IAQYHMDHSA-N	1	0	369.307	1.870	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCc2ccc(C)cc2)C[C@@H]1O	ZINC001083789961	909477033	/nfs/dbraw/zinc/47/70/33/909477033.db2.gz	HJKQKXLCRAOHCA-ZRNYENFQSA-N	1	0	358.482	1.680	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)NC(C)(C)C2=O)C1	ZINC001082682392	909602750	/nfs/dbraw/zinc/60/27/50/909602750.db2.gz	ONKONANPRCHXIM-ZIAGYGMSSA-N	1	0	364.490	1.356	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC(=O)N(C)C2CC2)CC1	ZINC000997754075	909612806	/nfs/dbraw/zinc/61/28/06/909612806.db2.gz	JGMUNRURNWCZQW-QGTPRVQTSA-N	1	0	363.502	1.415	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082694335	909638947	/nfs/dbraw/zinc/63/89/47/909638947.db2.gz	MJYORTORLHFFGN-SRCQZFHVSA-N	1	0	358.417	1.112	20	30		FDEDRO
C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1	ZINC001082747178	909691641	/nfs/dbraw/zinc/69/16/41/909691641.db2.gz	CMIIPIQJTJJRGV-RGCFKVTRSA-N	1	0	357.454	1.950	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCCC[C@H]3C)C2)c1	ZINC001082729817	909861751	/nfs/dbraw/zinc/86/17/51/909861751.db2.gz	GLGVOPIZAONWNW-GPMSIDNRSA-N	1	0	368.481	1.514	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082737800	909915450	/nfs/dbraw/zinc/91/54/50/909915450.db2.gz	NXBOQNUXQMIMAX-WIBUTAKZSA-N	1	0	370.453	1.052	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)Cn2ccc(C)n2)C[C@H]1C	ZINC001082749351	909983660	/nfs/dbraw/zinc/98/36/60/909983660.db2.gz	WPUYXELGJGLKKV-RDTXWAMCSA-N	1	0	367.453	1.709	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nccn2C(F)F)C1	ZINC001082752209	909999991	/nfs/dbraw/zinc/99/99/91/909999991.db2.gz	WZHXHURBSAMXBJ-SYQHCUMBSA-N	1	0	354.401	1.806	20	30		FDEDRO
C#CCC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@@H]1OC[C@@H]3CCC[C@@H]31)CC2	ZINC001128012920	910090766	/nfs/dbraw/zinc/09/07/66/910090766.db2.gz	UFCAIXHLJRFHJG-CYJAXWMASA-N	1	0	371.485	1.027	20	30		FDEDRO
C#CCC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@@H]1OC[C@@H]3CCC[C@@H]31)CC2	ZINC001128012921	910091088	/nfs/dbraw/zinc/09/10/88/910091088.db2.gz	UFCAIXHLJRFHJG-IUVQAAGXSA-N	1	0	371.485	1.027	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082807964	910267911	/nfs/dbraw/zinc/26/79/11/910267911.db2.gz	NFNBUNYUQGSYFX-RHSMWYFYSA-N	1	0	362.499	1.279	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2c(C)nnn2CC)CC1	ZINC000998094828	910333343	/nfs/dbraw/zinc/33/33/43/910333343.db2.gz	NIVCCBADJZLKAJ-AEFFLSMTSA-N	1	0	361.490	1.526	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccc(OC)nn2)CC1	ZINC000998095733	910336577	/nfs/dbraw/zinc/33/65/77/910336577.db2.gz	VPBJXQTZGSFQRI-SJORKVTESA-N	1	0	360.458	1.405	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cnn4c3CCCC4)C[C@H]2C)C1=O	ZINC001082843369	910407949	/nfs/dbraw/zinc/40/79/49/910407949.db2.gz	BPQYWYQFIVHOIE-HYVNUMGLSA-N	1	0	371.485	1.056	20	30		FDEDRO
CC[C@H]1CCCN1C(=O)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001082848163	910436905	/nfs/dbraw/zinc/43/69/05/910436905.db2.gz	KTLXTIYGSVICSH-AYOQOUSVSA-N	1	0	368.481	1.896	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cn(C)nc2C)C1	ZINC001082851543	910463599	/nfs/dbraw/zinc/46/35/99/910463599.db2.gz	LNKCBRAVZQXESD-RHSMWYFYSA-N	1	0	369.469	1.939	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[NH2+][C@H](C)c2nnnn2C)CC1	ZINC000998148321	910467788	/nfs/dbraw/zinc/46/77/88/910467788.db2.gz	NPAXBOIKZRMHHV-KBMXLJTQSA-N	1	0	362.478	1.081	20	30		FDEDRO
C[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1)N1CCCC1=O	ZINC001082857085	910493098	/nfs/dbraw/zinc/49/30/98/910493098.db2.gz	RRUWEJKKIAFJCJ-GPMSIDNRSA-N	1	0	368.481	1.896	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)C(C)(C)C(C)(F)F)C[C@H]2C)C1=O	ZINC001082886565	910648123	/nfs/dbraw/zinc/64/81/23/910648123.db2.gz	AKTJSBBALNIAOD-HZSPNIEDSA-N	1	0	357.445	1.891	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCc3ccccc3)C[C@H]2OC)CCOCC1	ZINC001212395268	910728961	/nfs/dbraw/zinc/72/89/61/910728961.db2.gz	DLQVFFRXWLQKNZ-WOJBJXKFSA-N	1	0	370.493	1.865	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CCCC1=O	ZINC001085129866	921604304	/nfs/dbraw/zinc/60/43/04/921604304.db2.gz	LNAHUCHADKMYST-CHWSQXEVSA-N	1	0	358.280	1.534	20	30		FDEDRO
Cc1cccn2cc(CC(=O)N[C@H]3C[C@H]4CC[C@@H]3N4C(=O)[C@H](C)C#N)nc12	ZINC000998389244	910959012	/nfs/dbraw/zinc/95/90/12/910959012.db2.gz	APRUMNQJYSDSDL-SIXLDLHFSA-N	1	0	365.437	1.593	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)c3csnn3)C2)CC1	ZINC001082941516	911018124	/nfs/dbraw/zinc/01/81/24/911018124.db2.gz	VGAVICNHJJYHLD-IJEWVQPXSA-N	1	0	361.515	1.381	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N(C)C2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082944589	911059592	/nfs/dbraw/zinc/05/95/92/911059592.db2.gz	BZOPGHAHLJAZQN-FHLIZLRMSA-N	1	0	354.454	1.363	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCc2nnc(C[NH2+]CCCC)n2CC1	ZINC001128039183	911646619	/nfs/dbraw/zinc/64/66/19/911646619.db2.gz	HFQHWYVJZBUIRO-XHSDSOJGSA-N	1	0	361.490	1.580	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC([NH2+]CC(=O)N2CCCCC2)C1	ZINC000998785812	911662705	/nfs/dbraw/zinc/66/27/05/911662705.db2.gz	APWHITBSOPTKHY-HIEASXQVSA-N	1	0	363.502	1.559	20	30		FDEDRO
CC[C@H](C(=O)N1CCO[C@@H]2CN(Cc3ccc(C#N)s3)C[C@@H]21)[NH+](C)C	ZINC001083119767	911926900	/nfs/dbraw/zinc/92/69/00/911926900.db2.gz	JWULQDQTEMNZFK-IXDOHACOSA-N	1	0	362.499	1.372	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1	ZINC000999077856	912029191	/nfs/dbraw/zinc/02/91/91/912029191.db2.gz	HDMJTSMTCDHDBA-SBUWESJJSA-N	1	0	365.477	1.870	20	30		FDEDRO
C=C(Cl)CN1C[C@H]2OCCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@H]2C1	ZINC001083126876	912102796	/nfs/dbraw/zinc/10/27/96/912102796.db2.gz	OKMJKPQMFYTMPY-DLBZAZTESA-N	1	0	360.845	1.920	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)CCn3cnc4ccccc43)[C@H]2C1	ZINC001083135579	912174579	/nfs/dbraw/zinc/17/45/79/912174579.db2.gz	JWPLKJXNBGLVBK-RBUKOAKNSA-N	1	0	354.454	1.914	20	30		FDEDRO
N#CCSc1ccccc1C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000730218739	916324497	/nfs/dbraw/zinc/32/44/97/916324497.db2.gz	PBCHWUHSHMARKW-MRXNPFEDSA-N	1	0	372.494	1.857	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3CC[N@@H+](CCc4cnn(CC)c4)C[C@H]32)nn1	ZINC001084708991	916396870	/nfs/dbraw/zinc/39/68/70/916396870.db2.gz	DSSVGOAGHHZSPN-SJLPKXTDSA-N	1	0	369.473	1.070	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCCS(=O)(=O)C3)[C@@H]2C1	ZINC001084761561	916898803	/nfs/dbraw/zinc/89/88/03/916898803.db2.gz	MWOKVDDAZCDYET-GVDBMIGSSA-N	1	0	354.516	1.700	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3nc4nc(C)cc(C)n4n3)[C@@H]2C1	ZINC001084811670	917303193	/nfs/dbraw/zinc/30/31/93/917303193.db2.gz	SXXDIJYBAZGIMB-HZPDHXFCSA-N	1	0	354.458	1.854	20	30		FDEDRO
Cn1cc(CCC(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)nn1	ZINC001084871362	917870741	/nfs/dbraw/zinc/87/07/41/917870741.db2.gz	GPMBJLBFCDBCNE-IEBWSBKVSA-N	1	0	364.453	1.352	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)CCn3cncn3)C[C@@H]21	ZINC001084891178	918034562	/nfs/dbraw/zinc/03/45/62/918034562.db2.gz	KFCPJGZVDFZCMC-APWZRJJASA-N	1	0	364.453	1.663	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)CCn4cncn4)C[C@@H]32)cc1	ZINC001084891336	918036869	/nfs/dbraw/zinc/03/68/69/918036869.db2.gz	XFKFVRXCMCYOLM-MOPGFXCFSA-N	1	0	364.453	1.663	20	30		FDEDRO
O=C([C@@H]1COCCO1)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001084894827	918075830	/nfs/dbraw/zinc/07/58/30/918075830.db2.gz	WNFLXTQBIGDMIS-AABGKKOBSA-N	1	0	354.450	1.376	20	30		FDEDRO
O=C(C[C@@H]1COC(=O)C1)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001084920746	918329227	/nfs/dbraw/zinc/32/92/27/918329227.db2.gz	UQJVGXQVUQXOHK-ZCNNSNEGSA-N	1	0	366.461	1.914	20	30		FDEDRO
Cn1ncc(C(=O)N2CC[C@H]3CC[N@H+](CC#Cc4ccccc4)[C@H]3C2)c1N	ZINC001084926298	918392240	/nfs/dbraw/zinc/39/22/40/918392240.db2.gz	WNKQYDKUZPHGRP-MJGOQNOKSA-N	1	0	363.465	1.590	20	30		FDEDRO
CN1C[C@@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4ccccc4C#N)[C@H]3C2)CC1=O	ZINC001084952638	918727316	/nfs/dbraw/zinc/72/73/16/918727316.db2.gz	BIUUXSGKZLJBFR-MNEFBYGVSA-N	1	0	366.465	1.459	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cn4c(n3)C[C@H](OC)CC4)C[C@@H]21	ZINC001084969813	918957829	/nfs/dbraw/zinc/95/78/29/918957829.db2.gz	ZKRZTOZUPPODBZ-NUJGCVRESA-N	1	0	356.470	1.404	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NCCCCC[NH+]2CCCCC2)CC1	ZINC000732253398	919305805	/nfs/dbraw/zinc/30/58/05/919305805.db2.gz	HDEYONOXVOKMIC-UHFFFAOYSA-N	1	0	362.518	1.814	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3COCCN3CC(F)F)C[C@@H]21	ZINC001084998222	919386261	/nfs/dbraw/zinc/38/62/61/919386261.db2.gz	AOABLFSFRXMZRX-PMPSAXMXSA-N	1	0	357.445	1.451	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CCNC4=O)C[C@@H]32)c(F)c1	ZINC001085005262	919505524	/nfs/dbraw/zinc/50/55/24/919505524.db2.gz	NFTMHYZHTUZDGF-KYJSFNMBSA-N	1	0	370.428	1.256	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N4CCC4)[C@H]3C2)cc1	ZINC001085003391	919522675	/nfs/dbraw/zinc/52/26/75/919522675.db2.gz	JAACWLHBORKFBK-MJGOQNOKSA-N	1	0	351.450	1.437	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)[C@H]2C1	ZINC001085005868	919565104	/nfs/dbraw/zinc/56/51/04/919565104.db2.gz	ODQACEOHNPPKMT-KURKYZTESA-N	1	0	360.502	1.769	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3COCCN3C3CCCC3)C[C@@H]21	ZINC001085014980	919667652	/nfs/dbraw/zinc/66/76/52/919667652.db2.gz	PELBNRJRISCRDH-HOJAQTOUSA-N	1	0	359.514	1.576	20	30		FDEDRO
C=CC1CCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1	ZINC000732479960	919673962	/nfs/dbraw/zinc/67/39/62/919673962.db2.gz	CAGOIVNQHDLTPZ-UHFFFAOYSA-N	1	0	356.470	1.802	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)CC(C)(F)F)C[C@@H]32)C1=O	ZINC001085024813	919798083	/nfs/dbraw/zinc/79/80/83/919798083.db2.gz	FYQSNGKUJDNBFS-ZNMIVQPWSA-N	1	0	355.429	1.741	20	30		FDEDRO
C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@H+](C[C@H]4CCS(=O)(=O)C4)[C@H]3C2)C1	ZINC001085027148	919829109	/nfs/dbraw/zinc/82/91/09/919829109.db2.gz	NYPPRZGMYIQZEB-ZACQAIPSSA-N	1	0	366.527	1.700	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3ccn(C)c(=O)c3)[C@H]2C1	ZINC001085037391	919962670	/nfs/dbraw/zinc/96/26/70/919962670.db2.gz	CZSWYYCNIKTCJX-YRXWBPOGSA-N	1	0	371.481	1.399	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(S(C)(=O)=O)o3)C[C@@H]21	ZINC001085047022	920038673	/nfs/dbraw/zinc/03/86/73/920038673.db2.gz	QDMUGCPQEXRTOU-KGLIPLIRSA-N	1	0	352.456	1.796	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C3(N4CCOCC4)CCCC3)C[C@@H]21	ZINC001085047801	920050943	/nfs/dbraw/zinc/05/09/43/920050943.db2.gz	NMKABBTXXPEDLT-MOPGFXCFSA-N	1	0	359.514	1.578	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CCn3cncn3)[C@H]2C1	ZINC001085055197	920177398	/nfs/dbraw/zinc/17/73/98/920177398.db2.gz	VBKMZUIQSZIXEL-OWSLCNJRSA-N	1	0	359.474	1.182	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC(=O)N3)C[C@@H]21	ZINC001085055456	920182157	/nfs/dbraw/zinc/18/21/57/920182157.db2.gz	JKUSJHSKJCTXBM-LZQZEXGQSA-N	1	0	366.465	1.650	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cn(C4CCOCC4)nn3)C[C@@H]21	ZINC001085070744	920406200	/nfs/dbraw/zinc/40/62/00/920406200.db2.gz	SYBFCMJAIGRUTR-QAPCUYQASA-N	1	0	357.458	1.189	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(N4CCCC4)nn3)C[C@@H]21	ZINC001085072227	920488185	/nfs/dbraw/zinc/48/81/85/920488185.db2.gz	OSNTYNNOMBVZQP-AEFFLSMTSA-N	1	0	353.470	1.637	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(Cc4nc(C)no4)[C@H]3C2)CC1	ZINC001085100429	920912783	/nfs/dbraw/zinc/91/27/83/920912783.db2.gz	BJMJTTQZSQKKSM-AEFFLSMTSA-N	1	0	371.485	1.146	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ncoc2CC)C1=O	ZINC001085156879	921857675	/nfs/dbraw/zinc/85/76/75/921857675.db2.gz	AZDNODZTYFVUOW-KFWWJZLASA-N	1	0	360.458	1.655	20	30		FDEDRO
CN1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)s2)C1	ZINC001085159560	921883203	/nfs/dbraw/zinc/88/32/03/921883203.db2.gz	ZGKFYPOXIMILCZ-BRWVUGGUSA-N	1	0	362.499	1.467	20	30		FDEDRO
CC(C)(C)N1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)C1=O	ZINC001085171901	921982766	/nfs/dbraw/zinc/98/27/66/921982766.db2.gz	HHYFYZRGCUSOFN-INMHGKMJSA-N	1	0	371.485	1.916	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN2CCOCC2)c1	ZINC001085173049	921989385	/nfs/dbraw/zinc/98/93/85/921989385.db2.gz	DBYXEDYALUMXDD-RTBURBONSA-N	1	0	356.470	1.407	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(F)cn2)C1=O	ZINC001085177827	922017339	/nfs/dbraw/zinc/01/73/39/922017339.db2.gz	YCINKGRZXRUVHD-INMHGKMJSA-N	1	0	360.433	1.638	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COC(=O)N1	ZINC001085186999	922069848	/nfs/dbraw/zinc/06/98/48/922069848.db2.gz	PMUDRCMAUPDFPU-OAGGEKHMSA-N	1	0	360.389	1.323	20	30		FDEDRO
COC(=O)[C@@H](C)C[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N	ZINC000733868845	922128181	/nfs/dbraw/zinc/12/81/81/922128181.db2.gz	CEWLHKANIFEWLX-JSGCOSHPSA-N	1	0	352.394	1.965	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH2+][C@H](Cn1ccccc1=O)c1ccccc1	ZINC000282586883	922182862	/nfs/dbraw/zinc/18/28/62/922182862.db2.gz	VILFXSOLXMTLHJ-GOSISDBHSA-N	1	0	352.438	1.941	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@@](C)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001065353528	922269211	/nfs/dbraw/zinc/26/92/11/922269211.db2.gz	AMKREBCQWOVIHJ-ZXYWRSMDSA-N	1	0	356.474	1.336	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H](NC(=O)CSCC#N)CC2)CC[N@@H+]1C	ZINC001065877260	922486791	/nfs/dbraw/zinc/48/67/91/922486791.db2.gz	USGZEBQFAQWYCZ-QLFBSQMISA-N	1	0	352.504	1.081	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3c2ccc(C#N)cn2)CC[N@@H+]1C	ZINC001066202721	922624038	/nfs/dbraw/zinc/62/40/38/922624038.db2.gz	MNKKDTGGVGVFCR-VDHUWJSZSA-N	1	0	353.470	1.863	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2nccnc2C#N)CC[N@@H+]1C	ZINC001066203812	922628047	/nfs/dbraw/zinc/62/80/47/922628047.db2.gz	XAUCHHCJMMYFAQ-HPBDAGMYSA-N	1	0	368.485	1.648	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(CO)cc1	ZINC001085229825	922983552	/nfs/dbraw/zinc/98/35/52/922983552.db2.gz	MHLWMKAVWKMIMJ-NJYVYQBISA-N	1	0	369.509	1.794	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(C)cn1	ZINC001085230336	922988672	/nfs/dbraw/zinc/98/86/72/922988672.db2.gz	QHUMRLNNKOQZKH-QRVBRYPASA-N	1	0	355.486	1.400	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000734216474	923072215	/nfs/dbraw/zinc/07/22/15/923072215.db2.gz	TULGFWFDKDRWQO-QZTJIDSGSA-N	1	0	357.454	1.439	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1nc(OC)cc(OC)n1	ZINC001085244847	923103091	/nfs/dbraw/zinc/10/30/91/923103091.db2.gz	AJWOACXLDSFYRS-VXGBXAGGSA-N	1	0	354.838	1.877	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CCN1C1CC1	ZINC000734282350	923173076	/nfs/dbraw/zinc/17/30/76/923173076.db2.gz	DUMNNZOQTMHVEA-QZTJIDSGSA-N	1	0	361.490	1.012	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCNC(=O)CC1	ZINC001085286266	923526800	/nfs/dbraw/zinc/52/68/00/923526800.db2.gz	ZAURXCSNFXQWDY-KFKAGJAMSA-N	1	0	368.481	1.992	20	30		FDEDRO
Cc1nn[nH]c1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001085293988	923616254	/nfs/dbraw/zinc/61/62/54/923616254.db2.gz	LWXNVDUVUYWUOQ-IAGOWNOFSA-N	1	0	368.441	1.846	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(OC)no2)c1	ZINC001085325846	923916908	/nfs/dbraw/zinc/91/69/08/923916908.db2.gz	IKUYMYPXEFMJOI-IAGOWNOFSA-N	1	0	354.410	1.890	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCCCC1	ZINC001085335974	923976859	/nfs/dbraw/zinc/97/68/59/923976859.db2.gz	YCUWKCDDJCSMML-TVFCKZIOSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2oc(C)nc2C)nn1	ZINC001085357328	924186870	/nfs/dbraw/zinc/18/68/70/924186870.db2.gz	PMJSLGXWIINVQD-HUUCEWRRSA-N	1	0	358.446	1.900	20	30		FDEDRO
C[NH+](C)CCn1nccc1C(=O)N1CCN(c2ccc(C#N)cc2)CC1	ZINC000826779198	924325172	/nfs/dbraw/zinc/32/51/72/924325172.db2.gz	HVRRWWSEYBKVQG-UHFFFAOYSA-N	1	0	352.442	1.279	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1nonc1C	ZINC001085379810	924333511	/nfs/dbraw/zinc/33/35/11/924333511.db2.gz	UCOZPFJAGYPATN-VXGBXAGGSA-N	1	0	357.252	1.846	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cn(CC)nn1	ZINC001085377891	924340250	/nfs/dbraw/zinc/34/02/50/924340250.db2.gz	VJOFZTRNLSSGCM-VXGBXAGGSA-N	1	0	356.268	1.837	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCCN(C)C2=O)nc1	ZINC001085398462	924448591	/nfs/dbraw/zinc/44/85/91/924448591.db2.gz	IMRSBKSQXVHIJD-JFIYKMOQSA-N	1	0	354.454	1.314	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3CN(c4ccc(C#N)nn4)C[C@H]32)CC[N@@H+]1C	ZINC001066252554	924517866	/nfs/dbraw/zinc/51/78/66/924517866.db2.gz	SINZMFPJJOCSPZ-DZJNRPSUSA-N	1	0	368.485	1.506	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)CCNC(=O)C1N=CC=CC1=O)c1cccs1	ZINC000735836746	924591410	/nfs/dbraw/zinc/59/14/10/924591410.db2.gz	IAZGYKJUWBQSFC-ZFHSLQLHSA-N	1	0	362.455	1.384	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cn(C)c(=O)n1C	ZINC001085434393	924699157	/nfs/dbraw/zinc/69/91/57/924699157.db2.gz	JFWFHIYCJJCJOT-VXGBXAGGSA-N	1	0	371.279	1.263	20	30		FDEDRO
CC[N@H+](C[C@@H]1CCOC1)CN1CC(=O)N(Cc2ccccc2C#N)C1=O	ZINC000738075677	925088654	/nfs/dbraw/zinc/08/86/54/925088654.db2.gz	IZLQAYADBBVAFX-HNNXBMFYSA-N	1	0	356.426	1.638	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN([C@H](C(=O)OC)c2ccc(C#N)cc2)CC1	ZINC000739915118	925322535	/nfs/dbraw/zinc/32/25/35/925322535.db2.gz	NOCZYPLYGNAEFR-IBGZPJMESA-N	1	0	372.469	1.258	20	30		FDEDRO
C#CCSCCNC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000740071313	925333246	/nfs/dbraw/zinc/33/32/46/925333246.db2.gz	FCUPLDKCUUUKGW-SFHVURJKSA-N	1	0	360.527	1.641	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CNC(=O)NCc2ccc(F)cc2)CC1	ZINC000740739209	925430450	/nfs/dbraw/zinc/43/04/50/925430450.db2.gz	ZVGSYGOCNKODIJ-UHFFFAOYSA-N	1	0	360.433	1.229	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C[N@@H+](C)CCC)CC1	ZINC001066361933	925751766	/nfs/dbraw/zinc/75/17/66/925751766.db2.gz	UXEKJZPZWZCRSX-BBWFWOEESA-N	1	0	351.491	1.417	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)CC1	ZINC000741605455	925803485	/nfs/dbraw/zinc/80/34/85/925803485.db2.gz	ZFORBGMSCDSAID-SFHVURJKSA-N	1	0	369.465	1.128	20	30		FDEDRO
N#Cc1cc(S(N)(=O)=O)ccc1NCC[N@@H+]1CCc2ccccc2C1	ZINC000742176409	925969576	/nfs/dbraw/zinc/96/95/76/925969576.db2.gz	DICVIKXMZFIPFP-UHFFFAOYSA-N	1	0	356.451	1.676	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1	ZINC001086369138	926862425	/nfs/dbraw/zinc/86/24/25/926862425.db2.gz	RNALOKZDZKTXNP-OWYHZJEWSA-N	1	0	371.481	1.751	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)CC1	ZINC001066547807	927510501	/nfs/dbraw/zinc/51/05/01/927510501.db2.gz	MXHYXJKETQLUGM-BBWFWOEESA-N	1	0	351.491	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2nccn2C(F)F)C1	ZINC001086480860	927516967	/nfs/dbraw/zinc/51/69/67/927516967.db2.gz	CCVTVYSRHXFEMU-SYQHCUMBSA-N	1	0	354.401	1.854	20	30		FDEDRO
CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000746191777	927674168	/nfs/dbraw/zinc/67/41/68/927674168.db2.gz	XPUZTTMVBGTYFQ-IJYGLTAASA-N	1	0	362.474	1.674	20	30		FDEDRO
CC[N@H+](CCC#N)[C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC001169204018	928335609	/nfs/dbraw/zinc/33/56/09/928335609.db2.gz	ZKSRYTXMQHXBEV-CQSZACIVSA-N	1	0	360.462	1.228	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(Cn2cc3c(c(C#N)c2=O)CCC3)CC1	ZINC000766637299	928371501	/nfs/dbraw/zinc/37/15/01/928371501.db2.gz	OYEFDHHHYXXSTR-GOSISDBHSA-N	1	0	369.513	1.268	20	30		FDEDRO
O=C(OCc1ccccc1NCC[C@H]1CCC[NH2+]1)ON1C(=O)CCC1=O	ZINC001169567318	928747654	/nfs/dbraw/zinc/74/76/54/928747654.db2.gz	KWWGESLUEMVQRP-CQSZACIVSA-N	1	0	361.398	1.958	20	30		FDEDRO
CC(=O)N1CC[C@H]([N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)C1	ZINC001169544859	928757164	/nfs/dbraw/zinc/75/71/64/928757164.db2.gz	HZMUREZUPPANBI-ICSRJNTNSA-N	1	0	352.438	1.608	20	30		FDEDRO
CCOC(=O)N1CCC[C@@H]([NH+]2CCN(c3nccnc3C#N)CC2)CC1	ZINC001169702789	928861609	/nfs/dbraw/zinc/86/16/09/928861609.db2.gz	HXUOGOASLQTASN-OAHLLOKOSA-N	1	0	358.446	1.481	20	30		FDEDRO
CS(=O)(=O)c1ccc(C(=[NH2+])NC2CCC(S(C)(=O)=O)CC2)cc1	ZINC001169862872	928946274	/nfs/dbraw/zinc/94/62/74/928946274.db2.gz	DPKXXXNRJLZTJG-UHFFFAOYSA-N	1	0	358.485	1.151	20	30		FDEDRO
COC(=O)n1ncc(C#N)c1Nc1ccc2nc([C@@H]3CC[NH2+]C3)nn2c1	ZINC001169969526	928969427	/nfs/dbraw/zinc/96/94/27/928969427.db2.gz	KEVDESXUTXPVKV-SNVBAGLBSA-N	1	0	352.358	1.232	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2oncc2C)[C@@H](n2ccnn2)C1	ZINC001129365917	929276378	/nfs/dbraw/zinc/27/63/78/929276378.db2.gz	HOHNXLBMPSCAOE-CVEARBPZSA-N	1	0	358.446	1.976	20	30		FDEDRO
C#C[C@H](C)[N@H+](C)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl	ZINC000769960963	929756477	/nfs/dbraw/zinc/75/64/77/929756477.db2.gz	HNDUPDPFPQJTEZ-LBPRGKRZSA-N	1	0	371.890	1.872	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1nc3ccccn3c1=O)C2	ZINC001109584421	929848812	/nfs/dbraw/zinc/84/88/12/929848812.db2.gz	JBKHVNCCJSXARM-YVSFHVDLSA-N	1	0	369.469	1.572	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2	ZINC001109590150	929876528	/nfs/dbraw/zinc/87/65/28/929876528.db2.gz	VALYLLCHKURKGY-NCOADZHNSA-N	1	0	362.518	1.273	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)N(C)C	ZINC001109634796	929953989	/nfs/dbraw/zinc/95/39/89/929953989.db2.gz	XXQKEGZKLAWFAQ-YVSFHVDLSA-N	1	0	371.547	1.592	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNS(=O)(=O)CC	ZINC001109635698	929984878	/nfs/dbraw/zinc/98/48/78/929984878.db2.gz	NXDQYBUWMNJMBC-YVSFHVDLSA-N	1	0	371.547	1.640	20	30		FDEDRO
COCC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1C1CC1)C[C@@H](C)O2	ZINC001111550639	930106827	/nfs/dbraw/zinc/10/68/27/930106827.db2.gz	GSKFKBVTBDEFFU-NZSAHSFTSA-N	1	0	360.498	1.764	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2	ZINC001109672325	930110081	/nfs/dbraw/zinc/11/00/81/930110081.db2.gz	BVPNIUDYAMZBPP-MHORFTMASA-N	1	0	364.534	1.473	20	30		FDEDRO
C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCNC(C)=O)CC1	ZINC001109682071	930122135	/nfs/dbraw/zinc/12/21/35/930122135.db2.gz	SJROCCOGDUFPPE-SQNIBIBYSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=CCOCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CC[C@@H](C)O1)C[C@@H](C)O2	ZINC001111550978	930206942	/nfs/dbraw/zinc/20/69/42/930206942.db2.gz	PDYQLTZWARCOLG-KZNAEPCWSA-N	1	0	366.502	1.838	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)nc1C(F)(F)F)C2	ZINC001109762561	930356078	/nfs/dbraw/zinc/35/60/78/930356078.db2.gz	VLNWEDFETDMUDO-XBFCOCLRSA-N	1	0	372.391	1.977	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)C2	ZINC001109762945	930357749	/nfs/dbraw/zinc/35/77/49/930357749.db2.gz	ILTYHQHNDAQTLU-FZKCQIBNSA-N	1	0	357.520	1.392	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)C2	ZINC001109765298	930361887	/nfs/dbraw/zinc/36/18/87/930361887.db2.gz	VFDGNTNQUUNEOD-FZKCQIBNSA-N	1	0	359.536	1.616	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCO)cc1	ZINC001109811975	930509642	/nfs/dbraw/zinc/50/96/42/930509642.db2.gz	YFEMZDRCJVAGES-NEWSRXKRSA-N	1	0	358.438	1.043	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCC(C)C)nn1	ZINC001109820952	930538848	/nfs/dbraw/zinc/53/88/48/930538848.db2.gz	ZJSNIHICASCFRW-RYRKJORJSA-N	1	0	361.490	1.862	20	30		FDEDRO
CN(C)C(=O)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)CC1	ZINC001109962996	930919067	/nfs/dbraw/zinc/91/90/67/930919067.db2.gz	MWGDWPYSWLGFSE-SQNIBIBYSA-N	1	0	366.465	1.648	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC[C@H](C)O	ZINC001109996836	930990816	/nfs/dbraw/zinc/99/08/16/930990816.db2.gz	VEEAZFINEANCAC-MVJTYMMSSA-N	1	0	357.454	1.590	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2cccc(C(=O)N(C)C)c2)CC1	ZINC000772115641	931082127	/nfs/dbraw/zinc/08/21/27/931082127.db2.gz	ZDENTJPDIXICBX-UHFFFAOYSA-N	1	0	371.437	1.215	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)Nc2ccc(OC)cc2OC)CC1	ZINC000772115054	931082666	/nfs/dbraw/zinc/08/26/66/931082666.db2.gz	VEFVGHJYMFUGAN-CQSZACIVSA-N	1	0	374.437	1.919	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nc3nc(C)cc(C)n3n1)C2	ZINC001110056864	931296268	/nfs/dbraw/zinc/29/62/68/931296268.db2.gz	PEUYFVYZIZWWJQ-PMPSAXMXSA-N	1	0	370.457	1.279	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@H]2C)cc1C#N	ZINC000772476569	931306226	/nfs/dbraw/zinc/30/62/26/931306226.db2.gz	AMMQWYZPNOXQTG-CQSZACIVSA-N	1	0	358.442	1.884	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)Cc1ccco1)C2	ZINC001112544157	931415870	/nfs/dbraw/zinc/41/58/70/931415870.db2.gz	QXBKTSLLKHQCHF-WWMYMODYSA-N	1	0	371.481	1.426	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)CNC(C)=O)C2	ZINC001112544511	931420168	/nfs/dbraw/zinc/42/01/68/931420168.db2.gz	IJUZJCJIIQIZRQ-PXNSSMCTSA-N	1	0	365.518	1.570	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc3nncn3c1)C2	ZINC001112545010	931425230	/nfs/dbraw/zinc/42/52/30/931425230.db2.gz	KBDLVUVMXFGCTH-PXNSSMCTSA-N	1	0	369.469	1.764	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(S(C)(=O)=O)CCCC1)C2	ZINC001112545572	931429681	/nfs/dbraw/zinc/42/96/81/931429681.db2.gz	QMFUCTHMINVPRA-WMZOPIPTSA-N	1	0	366.527	1.585	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O)C2	ZINC001112550831	931461534	/nfs/dbraw/zinc/46/15/34/931461534.db2.gz	QZXZLFSDAVXSIH-LIRRHRJNSA-N	1	0	360.458	1.533	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)NCc1ccccc1C[NH+]1CCCC1)[C@H]1CCCO1	ZINC000785581250	931518266	/nfs/dbraw/zinc/51/82/66/931518266.db2.gz	UHBZNZFRMORMNC-RTBURBONSA-N	1	0	369.465	1.196	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCc1ncnn1C)C2	ZINC001112555224	931555314	/nfs/dbraw/zinc/55/53/14/931555314.db2.gz	GIBNXELEFMYTEQ-LPHOPBHVSA-N	1	0	361.490	1.516	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)N1CC[C@H](C)C1)C2	ZINC001112559979	931567026	/nfs/dbraw/zinc/56/70/26/931567026.db2.gz	YXHDOEYGQZUXDY-ZWOKBUDYSA-N	1	0	363.502	1.276	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CCCS(=O)(=O)C1)C2	ZINC001112558443	931578314	/nfs/dbraw/zinc/57/83/14/931578314.db2.gz	HRADWIYRFGEIIS-LNLFQRSKSA-N	1	0	366.527	1.443	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnn(CC3CC3)c1)C2	ZINC001112558738	931579604	/nfs/dbraw/zinc/57/96/04/931579604.db2.gz	VJLHMWOGDDJLCR-FPOVZHCZSA-N	1	0	370.497	1.775	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccn3c(=O)[nH]nc13)C2	ZINC001112562692	931595711	/nfs/dbraw/zinc/59/57/11/931595711.db2.gz	JFQRRNFNPMTQOA-LIRRHRJNSA-N	1	0	355.442	1.843	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@H](C)C(=O)N(C)C)C2)cn1	ZINC001112566226	931617629	/nfs/dbraw/zinc/61/76/29/931617629.db2.gz	QSUZKAOUNKIJKR-KUDFPVQQSA-N	1	0	368.481	1.372	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCN1C(C)=O)C2	ZINC001112566384	931620988	/nfs/dbraw/zinc/62/09/88/931620988.db2.gz	AVVPQHFLTMHBAX-BJLQDIEVSA-N	1	0	363.502	1.418	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCCC)C[C@@H]2n2ccnn2)nc1	ZINC001129393332	931661619	/nfs/dbraw/zinc/66/16/19/931661619.db2.gz	IQAMWRFFSSPFFI-MSOLQXFVSA-N	1	0	352.442	1.500	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(=O)n(CCC)n1)C2	ZINC001112576804	931689427	/nfs/dbraw/zinc/68/94/27/931689427.db2.gz	JIMDGNJFWUDTGZ-JXFKEZNVSA-N	1	0	356.470	1.509	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CCCOC1)C2	ZINC001112579991	931718291	/nfs/dbraw/zinc/71/82/91/931718291.db2.gz	RNXPLQNATHAJIV-UWVAXJGDSA-N	1	0	363.502	1.324	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccnc1N(C)C)C2	ZINC001112578073	931731507	/nfs/dbraw/zinc/73/15/07/931731507.db2.gz	VTGJBFCJHWHQKQ-UWJYYQICSA-N	1	0	370.497	1.629	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCN(C(=O)CCC)C1)C2	ZINC001112583656	931756892	/nfs/dbraw/zinc/75/68/92/931756892.db2.gz	CUGUHEAYYZVZHS-WFXMLNOXSA-N	1	0	359.514	1.877	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)C(=O)N(C)C)C1	ZINC001112589211	931801861	/nfs/dbraw/zinc/80/18/61/931801861.db2.gz	PGDVUWYNKJELSP-GJYPPUQNSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(CC)CC)C1	ZINC001112589321	931802771	/nfs/dbraw/zinc/80/27/71/931802771.db2.gz	ULBQRHILUIHTEA-UWVAXJGDSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cn(CC)nn2)C1	ZINC001112589901	931807631	/nfs/dbraw/zinc/80/76/31/931807631.db2.gz	VETQSPSFISZUQG-GJYPPUQNSA-N	1	0	361.490	1.607	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H](C)NC(=O)C1CCCC1)C2	ZINC001112591927	931823728	/nfs/dbraw/zinc/82/37/28/931823728.db2.gz	MOYSTXAVNUDTMG-MMOPVJDHSA-N	1	0	359.514	1.923	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccnc(-n3cncn3)c1)C2	ZINC001112590569	931840516	/nfs/dbraw/zinc/84/05/16/931840516.db2.gz	CTBBGQRFWAFZKD-LPHOPBHVSA-N	1	0	350.426	1.127	20	30		FDEDRO
CCOC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)CC1	ZINC000786784910	932032689	/nfs/dbraw/zinc/03/26/89/932032689.db2.gz	GQUCWZHZILYQDD-KBPBESRZSA-N	1	0	350.463	1.784	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1	ZINC000787204176	932223946	/nfs/dbraw/zinc/22/39/46/932223946.db2.gz	XETNHVHOXZWITG-UHFFFAOYSA-N	1	0	358.280	1.534	20	30		FDEDRO
COc1ccc(CNC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)cc1C#N	ZINC000787294525	932246403	/nfs/dbraw/zinc/24/64/03/932246403.db2.gz	SWEPOYMXSXCYKC-HNNXBMFYSA-N	1	0	372.469	1.962	20	30		FDEDRO
C[C@@H]([NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1)C(=O)NC1(C#N)CCC1	ZINC000787293683	932246439	/nfs/dbraw/zinc/24/64/39/932246439.db2.gz	JILDYVCPQNDOKF-QWHCGFSZSA-N	1	0	364.471	1.660	20	30		FDEDRO
C[C@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1)C(=O)NC1(C#N)CCC1	ZINC000787299184	932254875	/nfs/dbraw/zinc/25/48/75/932254875.db2.gz	NGIKEEARNFANMU-GXTWGEPZSA-N	1	0	350.463	1.830	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C1CCC1	ZINC001114952545	932285619	/nfs/dbraw/zinc/28/56/19/932285619.db2.gz	WRCOUZCULWHNQG-NMDDUFOESA-N	1	0	357.498	1.670	20	30		FDEDRO
C#CCN(C(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)C1CCCC1	ZINC000787640257	932353646	/nfs/dbraw/zinc/35/36/46/932353646.db2.gz	PXZRJERUMMVCNK-SFHVURJKSA-N	1	0	359.445	1.949	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)NCc2ccc(OC)c(C#N)c2)CC1	ZINC000746743188	932655978	/nfs/dbraw/zinc/65/59/78/932655978.db2.gz	XCMGVZWDTZKGMY-INIZCTEOSA-N	1	0	373.501	1.640	20	30		FDEDRO
CC(=NN[C@H]1CCOC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1	ZINC000788444781	932699939	/nfs/dbraw/zinc/69/99/39/932699939.db2.gz	BEXWNKVXKKHPKY-INIZCTEOSA-N	1	0	368.503	1.019	20	30		FDEDRO
C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1	ZINC001113013520	932934671	/nfs/dbraw/zinc/93/46/71/932934671.db2.gz	FOPAUWUHPXHYAH-MJBXVCDLSA-N	1	0	350.381	1.832	20	30		FDEDRO
Cc1nc(N2C[C@@H](O)[C@H](NC(=O)CCCC[NH+]3CCCC3)C2)ccc1C#N	ZINC001090446727	933067042	/nfs/dbraw/zinc/06/70/42/933067042.db2.gz	GHYYCEXNPAIBBJ-QZTJIDSGSA-N	1	0	371.485	1.194	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cn(-c3cc(C)cc(F)c3)nn2)CC1	ZINC000789962111	933270670	/nfs/dbraw/zinc/27/06/70/933270670.db2.gz	QDICOCZEFPASJJ-UHFFFAOYSA-N	1	0	355.417	1.932	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cccc(N3C(=O)NC(C)(C)C3=O)c2)CC1	ZINC000790439097	933552289	/nfs/dbraw/zinc/55/22/89/933552289.db2.gz	ZUQXGWFZHFOWMI-UHFFFAOYSA-N	1	0	368.437	1.805	20	30		FDEDRO
COCC#CCN1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1	ZINC001113365524	933615216	/nfs/dbraw/zinc/61/52/16/933615216.db2.gz	NCSUBUDFFZXRGL-UXHICEINSA-N	1	0	355.482	1.126	20	30		FDEDRO
C#CCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccsc1	ZINC000790735338	933721705	/nfs/dbraw/zinc/72/17/05/933721705.db2.gz	DEDUGRHRFUOQKM-ZDUSSCGKSA-N	1	0	364.496	1.381	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc(C3CC3)nn2)C1	ZINC001086592314	933807196	/nfs/dbraw/zinc/80/71/96/933807196.db2.gz	HDEWQSVQNRYLID-AZUAARDMSA-N	1	0	363.465	1.763	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2cn(C)nc2C)C1	ZINC001086592690	933814868	/nfs/dbraw/zinc/81/48/68/933814868.db2.gz	CFKALOPTQSPZSA-VQTJNVASSA-N	1	0	350.466	1.879	20	30		FDEDRO
CC(C)[NH+]1CCN(CCCOC(=O)CNC(=O)c2ccc(C#N)cc2)CC1	ZINC000791824779	934183486	/nfs/dbraw/zinc/18/34/86/934183486.db2.gz	LZJOPEZRFIGPJR-UHFFFAOYSA-N	1	0	372.469	1.247	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1C#N	ZINC000793901663	938334566	/nfs/dbraw/zinc/33/45/66/938334566.db2.gz	OEPNLSQZCWOKKI-GJZGRUSLSA-N	1	0	372.469	1.420	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000793910895	938336667	/nfs/dbraw/zinc/33/66/67/938336667.db2.gz	KPUNIJMELCLRCB-LOWVWBTDSA-N	1	0	360.296	1.494	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2nc(C)ccc2=O)C1	ZINC001086620435	938359323	/nfs/dbraw/zinc/35/93/23/938359323.db2.gz	QTKLQISJEWFHMU-RBUKOAKNSA-N	1	0	364.449	1.159	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)CCC=C)C[C@@H]2n2ccnn2)cn1	ZINC001129396828	938402781	/nfs/dbraw/zinc/40/27/81/938402781.db2.gz	NKYHNILRCSDTIK-IPELMVKDSA-N	1	0	364.453	1.664	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)COCc2cccnc2)[C@@H](n2ccnn2)C1	ZINC001129406863	938403996	/nfs/dbraw/zinc/40/39/96/938403996.db2.gz	BDGRMNYXUWVQDN-MSOLQXFVSA-N	1	0	370.457	1.198	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H](OC)C2CCCC2)[C@@H](n2ccnn2)C1	ZINC001129412181	938407572	/nfs/dbraw/zinc/40/75/72/938407572.db2.gz	LMSIHVJPTFOTOA-SQNIBIBYSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2c(C)noc2CC)[C@@H](n2ccnn2)C1	ZINC001129427609	938413536	/nfs/dbraw/zinc/41/35/36/938413536.db2.gz	FSVTWRIWSNCXML-CABCVRRESA-N	1	0	358.446	1.758	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)CCc2c(C)n[nH]c2C)[C@@H](n2ccnn2)C1	ZINC001129433951	938424162	/nfs/dbraw/zinc/42/41/62/938424162.db2.gz	ZVYOWVMOZLEROT-MSOLQXFVSA-N	1	0	371.489	1.559	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2cnn(C)c2)[C@@H](n2ccnn2)C1	ZINC001129470573	938430300	/nfs/dbraw/zinc/43/03/00/938430300.db2.gz	LKBKZEIDRCFCIT-NXHRZFHOSA-N	1	0	371.489	1.341	20	30		FDEDRO
CC(F)(F)C(=O)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129525399	938450985	/nfs/dbraw/zinc/45/09/85/938450985.db2.gz	KGHVLARRPWGQBL-CVEARBPZSA-N	1	0	359.380	1.327	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2snnc2C)C[C@@H]1n1ccnn1	ZINC001129565097	938457533	/nfs/dbraw/zinc/45/75/33/938457533.db2.gz	QLDPOKITTMFSJT-BNOWGMLFSA-N	1	0	361.475	1.448	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@@H]1n1ccnn1	ZINC001129593914	938467496	/nfs/dbraw/zinc/46/74/96/938467496.db2.gz	DRUTZBJJZLMPBR-IXDOHACOSA-N	1	0	365.478	1.005	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]Cc2ccc3nonc3c2)[C@@H](n2ccnn2)C1	ZINC001129666907	938478623	/nfs/dbraw/zinc/47/86/23/938478623.db2.gz	MCNYXODFVSEWGQ-SJORKVTESA-N	1	0	367.413	1.322	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]([NH2+]Cc2ccccc2CC)[C@@H](n2ccnn2)C1	ZINC001129681265	938483965	/nfs/dbraw/zinc/48/39/65/938483965.db2.gz	MNNOZDBTXURDHO-MOPGFXCFSA-N	1	0	369.469	1.585	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]([NH2+][C@@H](CC)c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129680913	938484092	/nfs/dbraw/zinc/48/40/92/938484092.db2.gz	GJLQDRXYYOLSHT-OTWHNJEPSA-N	1	0	369.469	1.974	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2C)C[C@@H]1n1ccnn1	ZINC001129689716	938485951	/nfs/dbraw/zinc/48/59/51/938485951.db2.gz	ADNLHMHRLMKRQW-MSOLQXFVSA-N	1	0	371.489	1.722	20	30		FDEDRO
O=C(C1CC=CC1)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129699507	938488494	/nfs/dbraw/zinc/48/84/94/938488494.db2.gz	XJXBDZBHXMIINP-UXHICEINSA-N	1	0	361.449	1.638	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2ocnc2C)C[C@@H]1n1ccnn1	ZINC001129716822	938493093	/nfs/dbraw/zinc/49/30/93/938493093.db2.gz	CJYYPWHHCWRALT-CVEARBPZSA-N	1	0	358.446	1.976	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cc[nH]c(=O)c2)C[C@@H]1n1ccnn1	ZINC001129736881	938497203	/nfs/dbraw/zinc/49/72/03/938497203.db2.gz	AGHKECHXRGRXSX-SJORKVTESA-N	1	0	370.457	1.780	20	30		FDEDRO
O=C(C1=CCCC1)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129737094	938497258	/nfs/dbraw/zinc/49/72/58/938497258.db2.gz	HVNRUSGFEYNAST-UXHICEINSA-N	1	0	361.449	1.782	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(CCF)C[C@H]2c2ccccc2)CC1	ZINC001086624957	938507385	/nfs/dbraw/zinc/50/73/85/938507385.db2.gz	CMVYMSGTMAQVRA-VQTJNVASSA-N	1	0	357.473	1.885	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CN(CC)CCO2)C1	ZINC001086624982	938507845	/nfs/dbraw/zinc/50/78/45/938507845.db2.gz	DQJGQZROPZYINA-ZCNNSNEGSA-N	1	0	355.482	1.315	20	30		FDEDRO
N#Cc1cccc(C[NH2+]CCNC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)c1	ZINC001129794267	938508964	/nfs/dbraw/zinc/50/89/64/938508964.db2.gz	TUSMXFKLMIARNK-MOPGFXCFSA-N	1	0	368.481	1.945	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCCO2)[C@@H](n2ccnn2)C1	ZINC001129777767	938513288	/nfs/dbraw/zinc/51/32/88/938513288.db2.gz	ARYYUZDIQGENET-KSZLIROESA-N	1	0	359.474	1.382	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCC(C)C)[C@@H](n2ccnn2)C1	ZINC001129855152	938528407	/nfs/dbraw/zinc/52/84/07/938528407.db2.gz	GMUCGWAWINEMTP-BDXSIMOUSA-N	1	0	361.490	1.647	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2ccnc2CC)C[C@@H]1n1ccnn1	ZINC001129856127	938528972	/nfs/dbraw/zinc/52/89/72/938528972.db2.gz	XWFIXAGVDKZYHU-BBWFWOEESA-N	1	0	369.473	1.053	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2oc(CC3CC3)nc2C)C[C@@H]1n1ccnn1	ZINC001129863507	938531705	/nfs/dbraw/zinc/53/17/05/938531705.db2.gz	FTKFKXHAJFNLCC-CVEARBPZSA-N	1	0	368.441	1.206	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ncc(OC)cc2F)C[C@@H]1n1ccnn1	ZINC001129887575	938540128	/nfs/dbraw/zinc/54/01/28/938540128.db2.gz	FXJKJWNCFUKPMQ-CABCVRRESA-N	1	0	360.393	1.052	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC=CCCC2)C[C@@H]1n1ccnn1	ZINC001129906870	938548817	/nfs/dbraw/zinc/54/88/17/938548817.db2.gz	DVHUWHSNKSLTLE-QRVBRYPASA-N	1	0	371.485	1.406	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C/C=C\c2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001129907211	938549107	/nfs/dbraw/zinc/54/91/07/938549107.db2.gz	XHZFLEFOPLHASP-GUDHTMSVSA-N	1	0	353.401	1.495	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C/C=C\c2ccccc2F)C[C@@H]1n1ccnn1	ZINC001129910357	938549853	/nfs/dbraw/zinc/54/98/53/938549853.db2.gz	PKCFSQHQTCMOPZ-CORAPOBDSA-N	1	0	353.401	1.495	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)C[C@@H](C)CC3)C[C@@H]1n1ccnn1	ZINC001129910261	938549919	/nfs/dbraw/zinc/54/99/19/938549919.db2.gz	LEWBZYSSCDRKRE-UXLLHSPISA-N	1	0	369.473	1.288	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cncc3C2)C[C@@H]1n1ccnn1	ZINC001129917615	938554521	/nfs/dbraw/zinc/55/45/21/938554521.db2.gz	YPLNLNDEPRYQQD-NXHRZFHOSA-N	1	0	369.473	1.045	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]([NH2+]C[C@@H](F)CC)[C@@H](n2ccnn2)C1	ZINC001129894865	938555939	/nfs/dbraw/zinc/55/59/39/938555939.db2.gz	VQARTFHASFSNHU-UXLLHSPISA-N	1	0	360.437	1.669	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnc(C3CC3)o2)C[C@@H]1n1ccnn1	ZINC001129895644	938557159	/nfs/dbraw/zinc/55/71/59/938557159.db2.gz	HAAXIBTUUMRALT-CABCVRRESA-N	1	0	356.430	1.765	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cncc(COC)c2)C[C@@H]1n1ccnn1	ZINC001129897784	938558402	/nfs/dbraw/zinc/55/84/02/938558402.db2.gz	HMQPWHYWIOHIEW-MSOLQXFVSA-N	1	0	370.457	1.441	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cncc2C)C[C@@H]1n1ccnn1	ZINC001129934245	938563480	/nfs/dbraw/zinc/56/34/80/938563480.db2.gz	WCEFHGZSQKRMCL-UAGQMJEPSA-N	1	0	357.462	1.179	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2nc(C)n3ccccc23)C[C@@H]1n1ccnn1	ZINC001129936751	938564129	/nfs/dbraw/zinc/56/41/29/938564129.db2.gz	NKSCRJJOXJCTEA-WBVHZDCISA-N	1	0	365.441	1.466	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C[C@@H]1n1ccnn1	ZINC001129918550	938567248	/nfs/dbraw/zinc/56/72/48/938567248.db2.gz	DCGFOBFCEYCSHE-OLMNPRSZSA-N	1	0	369.473	1.032	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccnc(OC)c2)C[C@@H]1n1ccnn1	ZINC001129923635	938569473	/nfs/dbraw/zinc/56/94/73/938569473.db2.gz	NUSHBMKGXDBLGU-CVEARBPZSA-N	1	0	356.430	1.303	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)nc2)C[C@@H]1n1ccnn1	ZINC001129923763	938569741	/nfs/dbraw/zinc/56/97/41/938569741.db2.gz	VFWFDOPPHBDGEM-SJORKVTESA-N	1	0	369.473	1.361	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cn(C)c3ccccc23)C[C@@H]1n1ccnn1	ZINC001129926728	938571083	/nfs/dbraw/zinc/57/10/83/938571083.db2.gz	CNZYVEAJCPTGKG-MJGOQNOKSA-N	1	0	362.437	1.448	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3ccccc3O2)C[C@@H]1n1ccnn1	ZINC001129926998	938571303	/nfs/dbraw/zinc/57/13/03/938571303.db2.gz	KBSAPTIDAWEYPQ-ZIFCJYIRSA-N	1	0	367.453	1.590	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2(c3ccccc3)CCC2)C[C@@H]1n1ccnn1	ZINC001129927133	938571309	/nfs/dbraw/zinc/57/13/09/938571309.db2.gz	NYKFNZLXMZGHEO-MOPGFXCFSA-N	1	0	363.465	1.765	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3O2)C[C@@H]1n1ccnn1	ZINC001129927077	938571394	/nfs/dbraw/zinc/57/13/94/938571394.db2.gz	MCKLBEOHMOEGRF-RYRKJORJSA-N	1	0	353.426	1.199	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(-c3ccco3)o2)C[C@@H]1n1ccnn1	ZINC001129928937	938572453	/nfs/dbraw/zinc/57/24/53/938572453.db2.gz	VRBHEXGQWDELSQ-CABCVRRESA-N	1	0	365.393	1.810	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCn2nc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001129949130	938574071	/nfs/dbraw/zinc/57/40/71/938574071.db2.gz	QHURCZBEKNZHEA-MSOLQXFVSA-N	1	0	371.489	1.489	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCn2ccnc2)C[C@@H]1n1ccnn1	ZINC001129951900	938574994	/nfs/dbraw/zinc/57/49/94/938574994.db2.gz	ALCPOZBNVGQAKC-BBWFWOEESA-N	1	0	357.462	1.261	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCn2ccnc2)C[C@@H]1n1ccnn1	ZINC001129951901	938575062	/nfs/dbraw/zinc/57/50/62/938575062.db2.gz	ALCPOZBNVGQAKC-ZACQAIPSSA-N	1	0	357.462	1.261	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]C[C@@H](F)CC)[C@@H](n3ccnn3)C2)cc1	ZINC001129952123	938575338	/nfs/dbraw/zinc/57/53/38/938575338.db2.gz	IREZDVTYFDNYIU-KSZLIROESA-N	1	0	355.417	1.663	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCOc2ccccc2C)C[C@@H]1n1ccnn1	ZINC001129952307	938575376	/nfs/dbraw/zinc/57/53/76/938575376.db2.gz	NXBLYZUPRLFEIA-MSOLQXFVSA-N	1	0	367.453	1.420	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]CC[C@@H](C)F)[C@@H](n3ccnn3)C2)cc1	ZINC001129952326	938575378	/nfs/dbraw/zinc/57/53/78/938575378.db2.gz	PACUMYLATRLMPU-OLMNPRSZSA-N	1	0	355.417	1.663	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(CCC)n[nH]2)C[C@@H]1n1ccnn1	ZINC001129952406	938575624	/nfs/dbraw/zinc/57/56/24/938575624.db2.gz	RYSJTILBSFTEHQ-QGTPRVQTSA-N	1	0	371.489	1.964	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH]ncc32)C[C@@H]1n1ccnn1	ZINC001129954382	938576375	/nfs/dbraw/zinc/57/63/75/938576375.db2.gz	KQHHKSMJMCPXKF-MSOLQXFVSA-N	1	0	365.441	1.776	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cncc(OC(C)C)c2)C[C@@H]1n1ccnn1	ZINC001129956341	938576907	/nfs/dbraw/zinc/57/69/07/938576907.db2.gz	FOYMXLIMIJNRKP-MSOLQXFVSA-N	1	0	368.441	1.139	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)CC(N)=O)C[C@@H]1n1ccnn1	ZINC001129957295	938577717	/nfs/dbraw/zinc/57/77/17/938577717.db2.gz	YMWNELOROYTINV-OAGGEKHMSA-N	1	0	364.494	1.102	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n2ccnn2)C1	ZINC001129972594	938591198	/nfs/dbraw/zinc/59/11/98/938591198.db2.gz	DDBAKMARNXWSHC-KGLIPLIRSA-N	1	0	357.380	1.766	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H]([NH2+]CCn2cccn2)[C@@H](n2ccnn2)C1	ZINC001129972601	938591309	/nfs/dbraw/zinc/59/13/09/938591309.db2.gz	DKSCICBVRDEBBJ-BBWFWOEESA-N	1	0	357.462	1.119	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCCC2(F)F)C[C@@H]1n1ccnn1	ZINC001129977820	938593145	/nfs/dbraw/zinc/59/31/45/938593145.db2.gz	HGEJJHRZDQAMQY-ZNMIVQPWSA-N	1	0	351.401	1.468	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc3n[nH]cc3c2)C[C@@H]1n1ccnn1	ZINC001129980161	938595489	/nfs/dbraw/zinc/59/54/89/938595489.db2.gz	ASXOLTTYMCBFSB-MSOLQXFVSA-N	1	0	365.441	1.776	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2c(F)cccc2F)C[C@@H]1n1ccnn1	ZINC001129982644	938597572	/nfs/dbraw/zinc/59/75/72/938597572.db2.gz	GTPUJQOJAQYXNW-SJORKVTESA-N	1	0	359.380	1.164	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H]([NH2+]CCOCC2CC2)[C@@H](n2ccnn2)C1	ZINC001129976651	938600990	/nfs/dbraw/zinc/60/09/90/938600990.db2.gz	UJIBNGQLFBQYRD-JQHSSLGASA-N	1	0	361.490	1.649	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n3ccnn3)C2)C1	ZINC001129997518	938605595	/nfs/dbraw/zinc/60/55/95/938605595.db2.gz	PVBYGYGACNMYJI-OLZOCXBDSA-N	1	0	357.380	1.928	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]([NH2+]CCCC=C)[C@@H](n3ccnn3)C2)c1	ZINC001129997497	938605637	/nfs/dbraw/zinc/60/56/37/938605637.db2.gz	PAPAZCNTACTJBP-MSOLQXFVSA-N	1	0	350.426	1.276	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H]([NH2+]CCOCCCC)[C@@H](n3ccnn3)C2)C1	ZINC001129997616	938605906	/nfs/dbraw/zinc/60/59/06/938605906.db2.gz	UYFLCJUGFWLZSG-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H]([NH2+]Cc3cccnc3)[C@@H](n3ccnn3)C2)CC1	ZINC001129998959	938606462	/nfs/dbraw/zinc/60/64/62/938606462.db2.gz	BPOQXBNVPAGNJF-MSOLQXFVSA-N	1	0	366.469	1.961	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3[nH]ccc3c2)C[C@@H]1n1ccnn1	ZINC001129990016	938612164	/nfs/dbraw/zinc/61/21/64/938612164.db2.gz	IFBKGJDELBHSAH-MSOLQXFVSA-N	1	0	350.426	1.991	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(F)c(OC)c2)C[C@@H]1n1ccnn1	ZINC001130014321	938615518	/nfs/dbraw/zinc/61/55/18/938615518.db2.gz	HXBNGSNKMWITJV-CVEARBPZSA-N	1	0	357.389	1.104	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(Cl)c(F)c2)C[C@@H]1n1ccnn1	ZINC001130014737	938616311	/nfs/dbraw/zinc/61/63/11/938616311.db2.gz	CCRVWZHKGZXLDM-CVEARBPZSA-N	1	0	361.808	1.749	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(F)cc(Cl)c2)C[C@@H]1n1ccnn1	ZINC001130017668	938618088	/nfs/dbraw/zinc/61/80/88/938618088.db2.gz	SNOYOWCNKOCPJE-CVEARBPZSA-N	1	0	361.808	1.749	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(F)c2Cl)C[C@@H]1n1ccnn1	ZINC001130017773	938618316	/nfs/dbraw/zinc/61/83/16/938618316.db2.gz	XUFLRFWVPNSQCH-CABCVRRESA-N	1	0	361.808	1.749	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H]([NH2+]CC2CCOCC2)[C@@H](n2ccnn2)C1	ZINC001130022928	938621024	/nfs/dbraw/zinc/62/10/24/938621024.db2.gz	QTRREJDUVNQCHC-SJORKVTESA-N	1	0	361.490	1.649	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cc(C)[nH]c2C)C[C@@H]1n1ccnn1	ZINC001130023088	938621231	/nfs/dbraw/zinc/62/12/31/938621231.db2.gz	VNPVRBCZAIBUHK-SJORKVTESA-N	1	0	358.446	1.081	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@@H]1n1ccnn1	ZINC001130006027	938623387	/nfs/dbraw/zinc/62/33/87/938623387.db2.gz	PMUPEVCRZHLPEB-PMPSAXMXSA-N	1	0	368.913	1.493	20	30		FDEDRO
C=CC1(CC(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)CCCCC1	ZINC001130040826	938627243	/nfs/dbraw/zinc/62/72/43/938627243.db2.gz	OAOJNWJRDFMBAE-SJORKVTESA-N	1	0	361.490	1.529	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2sc(C)cc2OC)C[C@@H]1n1ccnn1	ZINC001130034629	938634996	/nfs/dbraw/zinc/63/49/96/938634996.db2.gz	VBNXMSSLUJJZPL-KGLIPLIRSA-N	1	0	359.455	1.335	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC/C=C/CC)[C@@H](n2ccnn2)C1	ZINC001130037967	938635777	/nfs/dbraw/zinc/63/57/77/938635777.db2.gz	FHOIKBPRRJSFQN-YAVRGCAZSA-N	1	0	373.501	1.957	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)C[C@@H](C)O3)C[C@@H]1n1ccnn1	ZINC001130038304	938636449	/nfs/dbraw/zinc/63/64/49/938636449.db2.gz	WSHGHIMCGCGRGF-OLMNPRSZSA-N	1	0	365.437	1.280	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2noc3c2C[C@@H](C)CC3)C[C@@H]1n1ccnn1	ZINC001130065466	938653004	/nfs/dbraw/zinc/65/30/04/938653004.db2.gz	IUMNDYOOICDETB-IMJJTQAJSA-N	1	0	368.441	1.070	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccc(OC)nn2)C[C@@H]1n1ccnn1	ZINC001130070841	938658005	/nfs/dbraw/zinc/65/80/05/938658005.db2.gz	IQMCHSFBPNUAPB-IMJJTQAJSA-N	1	0	371.445	1.087	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cn(CC)cn2)C[C@@H]1n1ccnn1	ZINC001130086080	938667432	/nfs/dbraw/zinc/66/74/32/938667432.db2.gz	KKWUZQIDUSSROX-UXLLHSPISA-N	1	0	357.462	1.505	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C2CC3(C2)CCOCC3)C[C@@H]1n1ccnn1	ZINC001130086268	938667621	/nfs/dbraw/zinc/66/76/21/938667621.db2.gz	SUVXDBIMZCJDOB-SJORKVTESA-N	1	0	359.474	1.403	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn([C@@H](C)CC)c2C)C[C@@H]1n1ccnn1	ZINC001130077720	938670856	/nfs/dbraw/zinc/67/08/56/938670856.db2.gz	WQJAPHMTGRZZQG-QGTPRVQTSA-N	1	0	369.473	1.433	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]C[C@@H](F)CC)[C@@H](n3ccnn3)C2)cn1	ZINC001130091402	938676694	/nfs/dbraw/zinc/67/66/94/938676694.db2.gz	QITMMTIBDNALQX-UAGQMJEPSA-N	1	0	356.405	1.058	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)C(C)(C)C)C[C@@H]1n1ccnn1	ZINC001130104930	938685636	/nfs/dbraw/zinc/68/56/36/938685636.db2.gz	CBLDNIMAPWRKNP-BBWFWOEESA-N	1	0	363.506	1.895	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)c(C)c2)C[C@@H]1n1ccnn1	ZINC001130111617	938690258	/nfs/dbraw/zinc/69/02/58/938690258.db2.gz	IFSPGDJOWWYNIN-MOPGFXCFSA-N	1	0	367.453	1.200	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3ncsc3c2)C[C@@H]1n1ccnn1	ZINC001130111338	938690294	/nfs/dbraw/zinc/69/02/94/938690294.db2.gz	DISSOZVDODSAIC-CVEARBPZSA-N	1	0	366.450	1.566	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(Cl)cn2CC)C[C@@H]1n1ccnn1	ZINC001130125560	938696657	/nfs/dbraw/zinc/69/66/57/938696657.db2.gz	UGVZZINFPFEVNS-ZBFHGGJFSA-N	1	0	362.865	1.984	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(=O)[nH]c2C)C[C@@H]1n1ccnn1	ZINC001130129369	938698599	/nfs/dbraw/zinc/69/85/99/938698599.db2.gz	DRHJPELSCHMLHA-CVEARBPZSA-N	1	0	370.457	1.617	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc(NC(C)=O)c2)C[C@@H]1n1ccnn1	ZINC001130118495	938701668	/nfs/dbraw/zinc/70/16/68/938701668.db2.gz	IBAWLVRYCJNSEP-MSOLQXFVSA-N	1	0	368.441	1.468	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3c2cccc3Cl)C[C@@H]1n1ccnn1	ZINC001130146052	938706558	/nfs/dbraw/zinc/70/65/58/938706558.db2.gz	IYIVXRLZODEULD-JQHSSLGASA-N	1	0	369.856	1.636	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cncc3ccccc32)C[C@@H]1n1ccnn1	ZINC001130133867	938708498	/nfs/dbraw/zinc/70/84/98/938708498.db2.gz	HOSLWOFRIJBVKA-MOPGFXCFSA-N	1	0	360.421	1.505	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]nc3ccccc32)C[C@@H]1n1ccnn1	ZINC001130137278	938710416	/nfs/dbraw/zinc/71/04/16/938710416.db2.gz	QXGRFACEJVAVFE-MSOLQXFVSA-N	1	0	365.441	1.315	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cccc(OC)c2)C[C@@H]1n1ccnn1	ZINC001130139529	938711749	/nfs/dbraw/zinc/71/17/49/938711749.db2.gz	CADUMEDKSCOFIC-IPELMVKDSA-N	1	0	367.453	1.455	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(c3cccc(C)c3)CC2)C[C@@H]1n1ccnn1	ZINC001130140523	938712349	/nfs/dbraw/zinc/71/23/49/938712349.db2.gz	YLLUJRYTPJKFFO-MOPGFXCFSA-N	1	0	363.465	1.683	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001130142806	938714309	/nfs/dbraw/zinc/71/43/09/938714309.db2.gz	IBEVRKZYMMVNGV-RLLQIKCJSA-N	1	0	365.481	1.830	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2cccc(OCC)c2)C[C@@H]1n1ccnn1	ZINC001130143279	938714565	/nfs/dbraw/zinc/71/45/65/938714565.db2.gz	QYNVBAISTNGAEZ-MOPGFXCFSA-N	1	0	367.453	1.284	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2ccccc2C)C[C@@H]1n1ccnn1	ZINC001130143507	938714905	/nfs/dbraw/zinc/71/49/05/938714905.db2.gz	WTSVCMCSSUGESN-UHOSZYNNSA-N	1	0	351.454	1.755	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CCCC2CCC2)[C@@H](n2ccnn2)C1	ZINC001130150895	938715404	/nfs/dbraw/zinc/71/54/04/938715404.db2.gz	FIMOUPFTCCCCSH-NXHRZFHOSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCC[C@@H](C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)c1ccccc1	ZINC001130158326	938719774	/nfs/dbraw/zinc/71/97/74/938719774.db2.gz	CPSUYTJBZVRFEQ-QRVBRYPASA-N	1	0	369.469	1.362	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C2CCOCC2)C[C@@H]1n1ccnn1	ZINC001130159015	938720447	/nfs/dbraw/zinc/72/04/47/938720447.db2.gz	YBLZPWHWZTZVJD-JQHSSLGASA-N	1	0	361.490	1.649	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccnc2OC(C)C)C[C@@H]1n1ccnn1	ZINC001130161130	938721340	/nfs/dbraw/zinc/72/13/40/938721340.db2.gz	ODLKFQLOLAEKNZ-SJORKVTESA-N	1	0	368.441	1.139	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)F)[nH]1	ZINC001130179642	938727008	/nfs/dbraw/zinc/72/70/08/938727008.db2.gz	NIYDMQINCPRDRR-STQMWFEESA-N	1	0	353.442	1.597	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](CC)OCC)[nH]1	ZINC001130190773	938736109	/nfs/dbraw/zinc/73/61/09/938736109.db2.gz	NIYLSBRRPWAUQB-ZNMIVQPWSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=C2CCCCC2)[nH]1	ZINC001130191016	938736589	/nfs/dbraw/zinc/73/65/89/938736589.db2.gz	YVUWYEKKDLWAPT-HOTGVXAUSA-N	1	0	359.474	1.960	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H](C)C(C)C)[nH]1	ZINC001130193270	938737909	/nfs/dbraw/zinc/73/79/09/938737909.db2.gz	PVKXVUPESGBZIE-JYJNAYRXSA-N	1	0	361.490	1.589	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ncccc2C)[nH]1	ZINC001130196019	938739174	/nfs/dbraw/zinc/73/91/74/938739174.db2.gz	OCZBJKBFNNRRGC-GJZGRUSLSA-N	1	0	370.457	1.476	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)=CC)[nH]1	ZINC001130198616	938740967	/nfs/dbraw/zinc/74/09/67/938740967.db2.gz	RCVYSNDHNCJQNZ-PJORVAEVSA-N	1	0	363.462	1.052	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCC)[nH]1	ZINC001130185164	938744471	/nfs/dbraw/zinc/74/44/71/938744471.db2.gz	ZEMZSWRWEMWUSQ-GJZGRUSLSA-N	1	0	365.478	1.276	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H](C)SC)[nH]1	ZINC001130203088	938744859	/nfs/dbraw/zinc/74/48/59/938744859.db2.gz	SGISAPFDNKOJRJ-AVGNSLFASA-N	1	0	353.492	1.211	20	30		FDEDRO
C#CCCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(=C)C)[nH]1	ZINC001130204769	938745723	/nfs/dbraw/zinc/74/57/23/938745723.db2.gz	JXWIOSCTDZNSLI-HOTGVXAUSA-N	1	0	359.474	1.653	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2coc(C)c2)[nH]1	ZINC001130205007	938745867	/nfs/dbraw/zinc/74/58/67/938745867.db2.gz	PKPCJUHWDIEUGB-GJZGRUSLSA-N	1	0	359.430	1.674	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2=CCCCCC2)n1	ZINC001130205144	938745998	/nfs/dbraw/zinc/74/59/98/938745998.db2.gz	RWTCBKMQSBXUGL-HOTGVXAUSA-N	1	0	357.458	1.407	20	30		FDEDRO
O=C(C#CC1CC1)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C/C=C\Cl)[nH]1	ZINC001130212840	938750086	/nfs/dbraw/zinc/75/00/86/938750086.db2.gz	GTOZQFSFJJXESN-DXDOQPJJSA-N	1	0	363.849	1.049	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2ccccc2)[nH]1	ZINC001130220683	938756179	/nfs/dbraw/zinc/75/61/79/938756179.db2.gz	IRJFKNUTCSQBFI-IRXDYDNUSA-N	1	0	369.469	1.702	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2ccc(C)cc2)[nH]1	ZINC001130222909	938757187	/nfs/dbraw/zinc/75/71/87/938757187.db2.gz	IENQLGFTFFFEAH-IRXDYDNUSA-N	1	0	369.469	1.620	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@H]2C)n1	ZINC001130224804	938758876	/nfs/dbraw/zinc/75/88/76/938758876.db2.gz	CIQOBOAXUPUCRU-MGAJPHDKSA-N	1	0	353.854	1.292	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2C[C@@H]2C)n1	ZINC001130227531	938761352	/nfs/dbraw/zinc/76/13/52/938761352.db2.gz	CIQOBOAXUPUCRU-BQUFFADESA-N	1	0	353.854	1.292	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@]2(C)C=CCC2)[nH]1	ZINC001130227875	938762255	/nfs/dbraw/zinc/76/22/55/938762255.db2.gz	SVUQEEJZLUVRHH-DOXZYTNZSA-N	1	0	359.474	1.815	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)C2CC2)[nH]1	ZINC001130232154	938764781	/nfs/dbraw/zinc/76/47/81/938764781.db2.gz	AWVPSUJGFJVWKH-GJZGRUSLSA-N	1	0	361.490	1.895	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)C(C)(F)F)n1	ZINC001130237944	938767524	/nfs/dbraw/zinc/76/75/24/938767524.db2.gz	LEOIBJQNMOZCOU-AGIUHOORSA-N	1	0	369.416	1.198	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[C@@H](C)CC)n1	ZINC001130242349	938769594	/nfs/dbraw/zinc/76/95/94/938769594.db2.gz	STNMQHRBTSGEKN-JYJNAYRXSA-N	1	0	361.490	1.733	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)CC(C)(C)C)n1	ZINC001130242239	938769599	/nfs/dbraw/zinc/76/95/99/938769599.db2.gz	NPEJTOVQOZHESO-ILXRZTDVSA-N	1	0	361.490	1.589	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[C@@H](C)CC)[nH]1	ZINC001130242334	938769603	/nfs/dbraw/zinc/76/96/03/938769603.db2.gz	RNSJRVYHJIFKNJ-JYJNAYRXSA-N	1	0	361.490	1.733	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](CC)CCC)[nH]1	ZINC001130244250	938770252	/nfs/dbraw/zinc/77/02/52/938770252.db2.gz	FPGOSARRLLTZGT-JYJNAYRXSA-N	1	0	361.490	1.733	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C2CC2)C2CC2)[nH]1	ZINC001130246770	938772116	/nfs/dbraw/zinc/77/21/16/938772116.db2.gz	PBLCJUKQHHODQD-GJZGRUSLSA-N	1	0	359.474	1.505	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCCCC)[nH]1	ZINC001130249239	938773553	/nfs/dbraw/zinc/77/35/53/938773553.db2.gz	RNRHUNZRAJPOLK-HOTGVXAUSA-N	1	0	361.490	1.877	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c[nH]cc2C)[nH]1	ZINC001130249182	938773575	/nfs/dbraw/zinc/77/35/75/938773575.db2.gz	NUGZCIJJHHQPQN-ZFWWWQNUSA-N	1	0	358.446	1.409	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@H](C)SC)CC1	ZINC001130282381	938779954	/nfs/dbraw/zinc/77/99/54/938779954.db2.gz	UHADOKMUJJTIII-JOQOYGCGSA-N	1	0	351.516	1.237	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CO[C@@H](C)CC)CC1	ZINC001130282583	938780018	/nfs/dbraw/zinc/78/00/18/938780018.db2.gz	XMGDHKAPJBBGOX-GMBSWORKSA-N	1	0	351.491	1.463	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCSC)CC1	ZINC001130269140	938783766	/nfs/dbraw/zinc/78/37/66/938783766.db2.gz	AYQHIZFDLRUJHY-QAPCUYQASA-N	1	0	351.516	1.238	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCCC(C)=O)CC1	ZINC001130269228	938784055	/nfs/dbraw/zinc/78/40/55/938784055.db2.gz	FWCRGWBWJVQLHL-XLIONFOSSA-N	1	0	361.486	1.244	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)OCC)CC1	ZINC001130276690	938787572	/nfs/dbraw/zinc/78/75/72/938787572.db2.gz	LGOPKOGGRJUMBY-KYJSFNMBSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C(C)CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)OCC)CC1	ZINC001130277058	938788255	/nfs/dbraw/zinc/78/82/55/938788255.db2.gz	ZTSYCLYTJANUEL-SUMDDJOVSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC#CCOC)CC1	ZINC001130278789	938788790	/nfs/dbraw/zinc/78/87/90/938788790.db2.gz	CJXLDDBHWAUXIJ-XLIONFOSSA-N	1	0	361.486	1.078	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](CC)OC)CC1	ZINC001130285128	938789963	/nfs/dbraw/zinc/78/99/63/938789963.db2.gz	BAVRASKXQLOYJC-NUJGCVRESA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](CC)OC)CC1	ZINC001130286156	938791133	/nfs/dbraw/zinc/79/11/33/938791133.db2.gz	ZOAHTSZOOQOUOP-NUJGCVRESA-N	1	0	351.491	1.463	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCC)CC1	ZINC001130290864	938795390	/nfs/dbraw/zinc/79/53/90/938795390.db2.gz	OZDCKEAIHAPSKE-WDYCEAGBSA-N	1	0	363.502	1.300	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C/C=C/Cl)CC1	ZINC001130290813	938795392	/nfs/dbraw/zinc/79/53/92/938795392.db2.gz	MAWKKSUPAUXPJB-DXHUGJCUSA-N	1	0	363.889	1.628	20	30		FDEDRO
C=C(Cl)CN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[NH+](C)C)CC1	ZINC001130299039	938799355	/nfs/dbraw/zinc/79/93/55/938799355.db2.gz	UHGNNMAWVSSHBS-QAPCUYQASA-N	1	0	370.925	1.166	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2(CF)CCC2)CC1	ZINC001130301689	938800308	/nfs/dbraw/zinc/80/03/08/938800308.db2.gz	AOCLNSPTLZQJDA-WBVHZDCISA-N	1	0	351.466	1.788	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)C(C)(F)F)CC1	ZINC001130302067	938800621	/nfs/dbraw/zinc/80/06/21/938800621.db2.gz	NYKNEOOJVLPQJZ-UNEWFSDZSA-N	1	0	369.456	1.776	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](CC(C)C)OC)CC1	ZINC001130302130	938800713	/nfs/dbraw/zinc/80/07/13/938800713.db2.gz	PLVWQNQKGNTVAT-AOIWGVFYSA-N	1	0	363.502	1.156	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccncc2)C[C@H]1c1cn(C)cn1	ZINC001130476673	938868063	/nfs/dbraw/zinc/86/80/63/938868063.db2.gz	ZHVKFTWYNAPHJU-FUHWJXTLSA-N	1	0	355.442	1.216	20	30		FDEDRO
CCOCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001130486005	938878790	/nfs/dbraw/zinc/87/87/90/938878790.db2.gz	WVPVLJGQVQVWLB-PKOBYXMFSA-N	1	0	367.453	1.412	20	30		FDEDRO
CC(C)CCC[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@H]1c1cn(C)cn1	ZINC001130502263	938885152	/nfs/dbraw/zinc/88/51/52/938885152.db2.gz	DXFYFYRWJZBGCQ-DOTOQJQBSA-N	1	0	363.531	1.997	20	30		FDEDRO
C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cccc(-n2ccnn2)c1	ZINC000806145602	938900037	/nfs/dbraw/zinc/90/00/37/938900037.db2.gz	DPZLVNZNNWQDOO-BZSIDJSBSA-N	1	0	352.398	1.444	20	30		FDEDRO
C=CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cccc(-c2nn[nH]n2)c1	ZINC000819743397	945276839	/nfs/dbraw/zinc/27/68/39/945276839.db2.gz	IBERXMHZTGMUII-UHFFFAOYSA-N	1	0	354.374	1.660	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2nccn2CC)C[C@H]1c1cn(C)cn1	ZINC001130574053	939874406	/nfs/dbraw/zinc/87/44/06/939874406.db2.gz	LCWQEDMSELOFOQ-DOTOQJQBSA-N	1	0	356.474	1.801	20	30		FDEDRO
CCOC(=O)C(C)N=Nc1cc(NCCN(C)CC[NH3+])ccc1[N+](=O)[O-]	ZINC001170504838	939875012	/nfs/dbraw/zinc/87/50/12/939875012.db2.gz	LPSWIZAQROXUAT-UNOMPAQXSA-N	1	0	366.422	1.248	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC2=CCCCC2)C1	ZINC001130592802	939899431	/nfs/dbraw/zinc/89/94/31/939899431.db2.gz	FHRVPKLVPKZUGU-XKGZKEIXSA-N	1	0	370.497	1.843	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccnn2CC(C)C)C[C@H]1c1cn(C)cn1	ZINC001130599234	939904979	/nfs/dbraw/zinc/90/49/79/939904979.db2.gz	OGGLWYPIHIVECT-FUHWJXTLSA-N	1	0	368.485	1.494	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccnc(CCC)c2)C[C@H]1c1cn(C)cn1	ZINC001130611821	939909625	/nfs/dbraw/zinc/90/96/25/939909625.db2.gz	HTLHZIYEYLWJKT-AZUAARDMSA-N	1	0	365.481	1.989	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(F)(F)C2)C[C@H]1c1cn(C)cn1	ZINC001130604487	939915637	/nfs/dbraw/zinc/91/56/37/939915637.db2.gz	CHHPBCVQGALSRU-OFQRWUPVSA-N	1	0	350.413	1.763	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(OCC)nc2)C[C@H]1c1cn(C)cn1	ZINC001130604965	939916438	/nfs/dbraw/zinc/91/64/38/939916438.db2.gz	RMHJZCDGGGBFGP-FUHWJXTLSA-N	1	0	367.453	1.435	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(COC)CCCC2)C[C@H]1c1cn(C)cn1	ZINC001130607939	939919939	/nfs/dbraw/zinc/91/99/39/939919939.db2.gz	SOVNMHBPHSHHMQ-FUHWJXTLSA-N	1	0	358.486	1.534	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cn2nc(C)cc2C)C[C@H]1c1cn(C)cn1	ZINC001130624147	939921992	/nfs/dbraw/zinc/92/19/92/939921992.db2.gz	MHVOKKHSFJKFAP-PKOBYXMFSA-N	1	0	370.501	1.784	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@]23CCC[C@H]2OCC3)C[C@H]1c1cn(C)cn1	ZINC001130624547	939922696	/nfs/dbraw/zinc/92/26/96/939922696.db2.gz	YEKVEDPRSMSDFW-MMTROXRISA-N	1	0	356.470	1.287	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(=O)NCC)C1	ZINC001130639999	939931922	/nfs/dbraw/zinc/93/19/22/939931922.db2.gz	UQVBPJVFDGALIX-GOEBONIOSA-N	1	0	361.490	1.043	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C[C@H]1c1cn(C)cn1	ZINC001130628524	939933943	/nfs/dbraw/zinc/93/39/43/939933943.db2.gz	WHHHDWRYTVGAIP-HLNWXESRSA-N	1	0	370.497	1.390	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2(CCF)CC2)C[C@H]1c1cn(C)cn1	ZINC001130635395	939938053	/nfs/dbraw/zinc/93/80/53/939938053.db2.gz	YKBGKZYKJONJNJ-DOTOQJQBSA-N	1	0	364.465	1.647	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2(C3CC3)CCC2)C[C@H]1c1cn(C)cn1	ZINC001130635416	939938087	/nfs/dbraw/zinc/93/80/87/939938087.db2.gz	ZHXALFLBFVEVJV-PKOBYXMFSA-N	1	0	370.497	1.534	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn3cccnc23)C[C@H]1c1cn(C)cn1	ZINC001130637710	939939538	/nfs/dbraw/zinc/93/95/38/939939538.db2.gz	IBCHTOWZWOUZIV-DOTOQJQBSA-N	1	0	365.441	1.237	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@](C)(C=C)CCOC)C[C@H]1c1cn(C)cn1	ZINC001130637783	939939804	/nfs/dbraw/zinc/93/98/04/939939804.db2.gz	LPSTWLNFGICHGG-HQRMLTQVSA-N	1	0	358.486	1.556	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1c1cn(C)cn1	ZINC001130639417	939941461	/nfs/dbraw/zinc/94/14/61/939941461.db2.gz	BFJHFZZXKSGKHJ-DZGCQCFKSA-N	1	0	358.446	1.023	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2nc(Cl)cs2)C[C@H]1c1cn(C)cn1	ZINC001130652215	939946540	/nfs/dbraw/zinc/94/65/40/939946540.db2.gz	JTYYPSSXHWPUBD-WCQYABFASA-N	1	0	363.874	1.751	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@H](CC)OC)C1	ZINC001130644411	939952597	/nfs/dbraw/zinc/95/25/97/939952597.db2.gz	QVTQTAGHMFYYAF-JENIJYKNSA-N	1	0	360.502	1.923	20	30		FDEDRO
CCc1ccoc1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#CCOC)C1	ZINC001130664011	939957044	/nfs/dbraw/zinc/95/70/44/939957044.db2.gz	BLDPIUVJGXBCPI-FUHWJXTLSA-N	1	0	370.453	1.423	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCc2ccnn2C)C1	ZINC001130664687	939957800	/nfs/dbraw/zinc/95/78/00/939957800.db2.gz	XTNUHSGZKMDSJU-PKOBYXMFSA-N	1	0	370.501	1.637	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cncn2C)C1	ZINC001130657043	939961186	/nfs/dbraw/zinc/96/11/86/939961186.db2.gz	WSCNXUZOQXMTHA-HHXXYDBFSA-N	1	0	370.501	1.840	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]C[C@H](F)CC)C2)c1	ZINC001130670053	939970360	/nfs/dbraw/zinc/97/03/60/939970360.db2.gz	OWJFPOVLYYJVHS-ZIFCJYIRSA-N	1	0	369.444	1.742	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(CF)CCOCC2)C[C@H]1c1cn(C)cn1	ZINC001130671892	939970602	/nfs/dbraw/zinc/97/06/02/939970602.db2.gz	AVXPXKKVEZOJDW-DOTOQJQBSA-N	1	0	362.449	1.094	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2CC3(CC3)C2)C[C@H]1c1cn(C)cn1	ZINC001130671926	939970707	/nfs/dbraw/zinc/97/07/07/939970707.db2.gz	CKFOWAFLMDPUEO-FUHWJXTLSA-N	1	0	358.486	1.697	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130674983	939972723	/nfs/dbraw/zinc/97/27/23/939972723.db2.gz	HHRUANAIWSVQMJ-FUHWJXTLSA-N	1	0	371.489	1.032	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccsc2C)C[C@H]1c1cn(C)cn1	ZINC001130687748	939977467	/nfs/dbraw/zinc/97/74/67/939977467.db2.gz	OWQVVUHARGEIFM-FUHWJXTLSA-N	1	0	356.495	1.940	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCCCO2)C[C@H]1c1cn(C)cn1	ZINC001130687974	939978281	/nfs/dbraw/zinc/97/82/81/939978281.db2.gz	ZOTCHOXQMWUYOB-JENIJYKNSA-N	1	0	358.486	1.677	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130689855	939980041	/nfs/dbraw/zinc/98/00/41/939980041.db2.gz	PEZGKTWDNNCFDI-MJQMVNBJSA-N	1	0	358.486	1.553	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c(C)n[nH]c2C)C[C@H]1c1cn(C)cn1	ZINC001130692390	939980894	/nfs/dbraw/zinc/98/08/94/939980894.db2.gz	HGBSCMKHMCKXEL-DOTOQJQBSA-N	1	0	356.474	1.924	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cn(C(C)C)nn2)C[C@H]1c1cn(C)cn1	ZINC001130704674	939985844	/nfs/dbraw/zinc/98/58/44/939985844.db2.gz	YSPMEZYPFOYSSZ-DOTOQJQBSA-N	1	0	371.489	1.757	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)c2cnon2)C[C@H]1c1cn(C)cn1	ZINC001130695255	939989827	/nfs/dbraw/zinc/98/98/27/939989827.db2.gz	KAPNIPHZPKIQPG-WMLDXEAASA-N	1	0	360.462	1.971	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2ccccn2)C[C@H]1c1cn(C)cn1	ZINC001130715431	940008037	/nfs/dbraw/zinc/00/80/37/940008037.db2.gz	ZKLYLECZKJYRBP-SOLBZPMBSA-N	1	0	367.453	1.190	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COc2cccc(F)c2)C[C@H]1c1cn(C)cn1	ZINC001130728349	940016746	/nfs/dbraw/zinc/01/67/46/940016746.db2.gz	ADAQIUBFWAZJCS-PKOBYXMFSA-N	1	0	370.428	1.546	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cccn2CC)C[C@H]1c1cn(C)cn1	ZINC001130729164	940018110	/nfs/dbraw/zinc/01/81/10/940018110.db2.gz	XPNSWWGPAPHFJT-FUHWJXTLSA-N	1	0	371.485	1.642	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130717806	940018313	/nfs/dbraw/zinc/01/83/13/940018313.db2.gz	RSYNBAHJWFYAEM-AZUAARDMSA-N	1	0	350.466	1.960	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCCCC)C2)C1=O	ZINC001111678596	940018366	/nfs/dbraw/zinc/01/83/66/940018366.db2.gz	LVJHXTVTVRMBOF-ZWOKBUDYSA-N	1	0	363.502	1.561	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#CC)C1	ZINC001130719510	940023520	/nfs/dbraw/zinc/02/35/20/940023520.db2.gz	VWDIGEXHARSNCI-PZJWPPBQSA-N	1	0	360.461	1.551	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C3CC3)cn2)C[C@H]1c1cn(C)cn1	ZINC001130721668	940025518	/nfs/dbraw/zinc/02/55/18/940025518.db2.gz	NFLKIJXAAFIFMB-FXAWDEMLSA-N	1	0	363.465	1.914	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2c(C)n[nH]c2C)C[C@H]1c1cn(C)cn1	ZINC001130723804	940028873	/nfs/dbraw/zinc/02/88/73/940028873.db2.gz	ZAPHJXOFYFYQSS-PKOBYXMFSA-N	1	0	368.485	1.300	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cn3ccccc3n2)C[C@H]1c1cn(C)cn1	ZINC001130726356	940031255	/nfs/dbraw/zinc/03/12/55/940031255.db2.gz	URQKPQCTXWWNTQ-DOTOQJQBSA-N	1	0	362.437	1.289	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(N(C)C)ccn2)C[C@H]1c1cn(C)cn1	ZINC001130739770	940041733	/nfs/dbraw/zinc/04/17/33/940041733.db2.gz	NNFUZIFODDVTCJ-QFBILLFUSA-N	1	0	366.469	1.102	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC[C@@H](C)F)C1	ZINC001130741536	940042828	/nfs/dbraw/zinc/04/28/28/940042828.db2.gz	HOBOEYIYXZBEMF-HLLBOEOZSA-N	1	0	352.454	1.645	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCC[C@@H](C)O)C1	ZINC001130741410	940044257	/nfs/dbraw/zinc/04/42/57/940044257.db2.gz	ACTRBKYIVDCPAZ-SOLBZPMBSA-N	1	0	364.490	1.058	20	30		FDEDRO
C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130731474	940044887	/nfs/dbraw/zinc/04/48/87/940044887.db2.gz	GAJCDVLMDMFHSZ-IMFGXOCKSA-N	1	0	366.465	1.127	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2ccc(C)o2)C[C@H]1c1cn(C)cn1	ZINC001130731543	940045282	/nfs/dbraw/zinc/04/52/82/940045282.db2.gz	JGZCNWLLRBADRG-PKOBYXMFSA-N	1	0	354.454	1.862	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2cncc(F)c2)C[C@H]1c1cn(C)cn1	ZINC001130741873	940045952	/nfs/dbraw/zinc/04/59/52/940045952.db2.gz	UAXBDVGICJMSJU-PKOBYXMFSA-N	1	0	369.444	1.494	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccccn2)C1	ZINC001130741891	940046150	/nfs/dbraw/zinc/04/61/50/940046150.db2.gz	VJJZBJBKJVTYOL-VDZJLULYSA-N	1	0	369.469	1.490	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1	ZINC000806788299	940050162	/nfs/dbraw/zinc/05/01/62/940050162.db2.gz	RXUSIPDQHNQDHW-AWEZNQCLSA-N	1	0	372.307	1.925	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1CCCO1	ZINC000806788976	940050406	/nfs/dbraw/zinc/05/04/06/940050406.db2.gz	ZZSFNGIBFCLCSQ-FGTMMUONSA-N	1	0	361.486	1.197	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)C2CCOCC2)C[C@H]1c1cn(C)cn1	ZINC001130749385	940055438	/nfs/dbraw/zinc/05/54/38/940055438.db2.gz	GKRFJOHNCBUCNJ-HHXXYDBFSA-N	1	0	358.486	1.390	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CSC(C)C)n2)O1	ZINC001130757833	940082792	/nfs/dbraw/zinc/08/27/92/940082792.db2.gz	IOEPXXWWTMIFQC-UONOGXRCSA-N	1	0	367.519	1.948	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COCC)n2)O1	ZINC001130758343	940084187	/nfs/dbraw/zinc/08/41/87/940084187.db2.gz	YHIIHLACQGJBLH-QLFBSQMISA-N	1	0	365.478	1.622	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCOC(C)C)n2)O1	ZINC001130758347	940084388	/nfs/dbraw/zinc/08/43/88/940084388.db2.gz	YIDLMORLYVZNGT-LSDHHAIUSA-N	1	0	363.462	1.069	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ncoc3C)n2)O1	ZINC001130764964	940094019	/nfs/dbraw/zinc/09/40/19/940094019.db2.gz	AGMUIFWDQKYSDQ-QWHCGFSZSA-N	1	0	360.418	1.417	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](CC)OCC)n2)O1	ZINC001130765003	940094106	/nfs/dbraw/zinc/09/41/06/940094106.db2.gz	CJTFGVBWWJLOES-SOUVJXGZSA-N	1	0	365.478	1.622	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCOCC)n2)O1	ZINC001130765589	940096824	/nfs/dbraw/zinc/09/68/24/940096824.db2.gz	YTVKXVOBDQHIJG-UONOGXRCSA-N	1	0	351.451	1.233	20	30		FDEDRO
C=CCOCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCC)O2)n[nH]1	ZINC001130767440	940100707	/nfs/dbraw/zinc/10/07/07/940100707.db2.gz	IVUZHGDYFOIATL-UONOGXRCSA-N	1	0	351.451	1.233	20	30		FDEDRO
C=CCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]Cc3ccccn3)O2)n[nH]1	ZINC001130769397	940106563	/nfs/dbraw/zinc/10/65/63/940106563.db2.gz	HQLYVCCOKALNJN-JKSUJKDBSA-N	1	0	370.457	1.792	20	30		FDEDRO
C[C@H](C#N)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C/C=C/Cl)O2)n[nH]1	ZINC001130769988	940108601	/nfs/dbraw/zinc/10/86/01/940108601.db2.gz	SVIPTCIIUMZSNA-QQAFORCVSA-N	1	0	352.826	1.143	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCc3ccoc3)n2)O1	ZINC001130776454	940125482	/nfs/dbraw/zinc/12/54/82/940125482.db2.gz	FSLVULUZLORTRJ-JKSUJKDBSA-N	1	0	371.441	1.480	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COC(C)(C)C)n2)O1	ZINC001130776766	940126528	/nfs/dbraw/zinc/12/65/28/940126528.db2.gz	KWAVWSAJXRUIBY-UONOGXRCSA-N	1	0	365.478	1.622	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3c[nH]c(C#N)c3)n2)O1	ZINC001130776825	940127010	/nfs/dbraw/zinc/12/70/10/940127010.db2.gz	NEAACNDGUGBZTR-LSDHHAIUSA-N	1	0	369.429	1.320	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)n3cccc3)n2)O1	ZINC001130777218	940128438	/nfs/dbraw/zinc/12/84/38/940128438.db2.gz	XHTMIWVPFIKOBM-HRCADAONSA-N	1	0	370.457	1.317	20	30		FDEDRO
C#CCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC[C@@H](C)F)O2)n[nH]1	ZINC001130778101	940130987	/nfs/dbraw/zinc/13/09/87/940130987.db2.gz	FVNCELRUKQGKLT-QLFBSQMISA-N	1	0	365.453	1.782	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCC3(C)C)n2)O1	ZINC001130795927	940149096	/nfs/dbraw/zinc/14/90/96/940149096.db2.gz	DZRJIUFFAYUWDS-RRFJBIMHSA-N	1	0	359.474	1.690	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H](C=C)CC)n2)O1	ZINC001130795934	940149131	/nfs/dbraw/zinc/14/91/31/940149131.db2.gz	FGFXSYLAWQOILW-OWCLPIDISA-N	1	0	359.474	1.856	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](F)C(C)C)n2)O1	ZINC001130796213	940150552	/nfs/dbraw/zinc/15/05/52/940150552.db2.gz	MGBKEBCYLIZTJQ-GUTXKFCHSA-N	1	0	353.442	1.801	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCCC34CC4)n2)O1	ZINC001130789980	940161219	/nfs/dbraw/zinc/16/12/19/940161219.db2.gz	BGBFBBKMJHASRB-RRFJBIMHSA-N	1	0	359.474	1.997	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(C4CC4)CC3)n2)O1	ZINC001130790032	940161502	/nfs/dbraw/zinc/16/15/02/940161502.db2.gz	DPUFSZCLDOVHOR-LSDHHAIUSA-N	1	0	359.474	1.997	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C34CCC(CC3)C4)n2)O1	ZINC001130790182	940162318	/nfs/dbraw/zinc/16/23/18/940162318.db2.gz	LOEFOOVUPCVSAS-UARSRXHTSA-N	1	0	357.458	1.444	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3ccccc3)n2)O1	ZINC001130790276	940163153	/nfs/dbraw/zinc/16/31/53/940163153.db2.gz	QECHCOHRLVWDCB-DLBZAZTESA-N	1	0	367.453	1.497	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C)[nH]c3C)n2)O1	ZINC001130809116	940185131	/nfs/dbraw/zinc/18/51/31/940185131.db2.gz	HVQOTPWCSPHBAD-GOEBONIOSA-N	1	0	370.457	1.513	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccnnc3)n2)O1	ZINC001130809219	940186478	/nfs/dbraw/zinc/18/64/78/940186478.db2.gz	MQIPGEVJXFIOLK-LSDHHAIUSA-N	1	0	371.445	1.301	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC#CC)O2)n[nH]1	ZINC001130802195	940196535	/nfs/dbraw/zinc/19/65/35/940196535.db2.gz	HEVJUUOQXCQXRK-KHYOSLBOSA-N	1	0	359.474	1.856	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3cnoc3)n2)O1	ZINC001130802440	940197506	/nfs/dbraw/zinc/19/75/06/940197506.db2.gz	USMFICYHJYEEKW-UONOGXRCSA-N	1	0	360.418	1.037	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCO)O2)n[nH]1	ZINC001130802383	940197633	/nfs/dbraw/zinc/19/76/33/940197633.db2.gz	QZTIDUYBWICADC-PMUMKWKESA-N	1	0	365.478	1.215	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H](C)C(C)(C)C)n2)O1	ZINC001130817273	940221706	/nfs/dbraw/zinc/22/17/06/940221706.db2.gz	JVMMUFHKOVZXLB-SOUVJXGZSA-N	1	0	361.490	1.936	20	30		FDEDRO
C#C[C@H](C)N(C)C(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1	ZINC000807064836	940238782	/nfs/dbraw/zinc/23/87/82/940238782.db2.gz	WIPHPNFSSOBDLT-AWEZNQCLSA-N	1	0	358.442	1.386	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CN(C(C)=O)C[C@H]1c1cncn1C	ZINC001130884136	940280794	/nfs/dbraw/zinc/28/07/94/940280794.db2.gz	FEMRPOAXPVOJOW-USXIJHARSA-N	1	0	361.490	1.137	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)nc2)C[C@H]1c1cncn1C	ZINC001130908289	940315181	/nfs/dbraw/zinc/31/51/81/940315181.db2.gz	FMQILYITHXYJQS-QZTJIDSGSA-N	1	0	369.469	1.524	20	30		FDEDRO
CC[C@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)c1ccco1	ZINC000807312770	940316171	/nfs/dbraw/zinc/31/61/71/940316171.db2.gz	RYJVHJXWSUUBHK-GXTWGEPZSA-N	1	0	358.402	1.184	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)OCC)C[C@H]1c1cncn1C	ZINC001130924847	940321429	/nfs/dbraw/zinc/32/14/29/940321429.db2.gz	GSEZZFXZJXZXDF-JFIYKMOQSA-N	1	0	364.490	1.322	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1CCC	ZINC000807394363	940332400	/nfs/dbraw/zinc/33/24/00/940332400.db2.gz	KNOHPNOIAUYTAE-HNNXBMFYSA-N	1	0	361.417	1.767	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccsc2)C1	ZINC001130948732	940347505	/nfs/dbraw/zinc/34/75/05/940347505.db2.gz	VJCKHGCVSGHURB-HZPDHXFCSA-N	1	0	360.483	1.768	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C=C2CCC2)C[C@H]1c1cncn1C	ZINC001130959093	940364885	/nfs/dbraw/zinc/36/48/85/940364885.db2.gz	GEAMCGQXQAYKDN-DJIMGWMZSA-N	1	0	371.485	1.105	20	30		FDEDRO
C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1c1cncn1C	ZINC001130969146	940376713	/nfs/dbraw/zinc/37/67/13/940376713.db2.gz	RKWDHMLXMRKPIU-APHBMKBZSA-N	1	0	358.421	1.566	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2nccc(C)n2)C[C@H]1c1cncn1C	ZINC001130975916	940404578	/nfs/dbraw/zinc/40/45/78/940404578.db2.gz	YIADUUBSAGGTFC-HZPDHXFCSA-N	1	0	354.458	1.683	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)noc2CCC)C[C@H]1c1cncn1C	ZINC001130995473	940418896	/nfs/dbraw/zinc/41/88/96/940418896.db2.gz	AYCDLZVUIXYWLJ-HZPDHXFCSA-N	1	0	369.469	1.890	20	30		FDEDRO
CC(C)COCC[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1cncn1C	ZINC001130985402	940423024	/nfs/dbraw/zinc/42/30/24/940423024.db2.gz	IDVGKGUMMINPSX-QZTJIDSGSA-N	1	0	358.486	1.390	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@@H]2CCOC2)C1	ZINC001131003920	940430375	/nfs/dbraw/zinc/43/03/75/940430375.db2.gz	UBMKLFCDBMPUEW-GVDBMIGSSA-N	1	0	360.502	1.943	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCO)C1	ZINC001130999239	940435784	/nfs/dbraw/zinc/43/57/84/940435784.db2.gz	LTJWKTUHHONTKY-ZIAGYGMSSA-N	1	0	354.882	1.465	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2Cl)C[C@H]1c1cncn1C	ZINC001131017667	940438628	/nfs/dbraw/zinc/43/86/28/940438628.db2.gz	FSKOELBUIOXPKP-ZIAGYGMSSA-N	1	0	362.865	1.581	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(OCC)n[nH]2)C[C@H]1c1cncn1C	ZINC001131018060	940439262	/nfs/dbraw/zinc/43/92/62/940439262.db2.gz	ZSVZDVXUAKXIFE-UKRRQHHQSA-N	1	0	358.446	1.316	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2nc(CC)c[nH]2)C[C@H]1c1cncn1C	ZINC001131010505	940441575	/nfs/dbraw/zinc/44/15/75/940441575.db2.gz	OJRZVRPSDXRIKQ-IAGOWNOFSA-N	1	0	370.501	1.799	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn(C)c(C)cc2=O)C[C@H]1c1cncn1C	ZINC001131012711	940444419	/nfs/dbraw/zinc/44/44/19/940444419.db2.gz	PDDDPWDPDMAYJO-NVXWUHKLSA-N	1	0	369.469	1.201	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COC2CCCCC2)C[C@H]1c1cncn1C	ZINC001131019821	940452397	/nfs/dbraw/zinc/45/23/97/940452397.db2.gz	CGJMNNSJGRPSIN-QZTJIDSGSA-N	1	0	358.486	1.677	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2CC)C[C@H]1c1cncn1C	ZINC001131022655	940456030	/nfs/dbraw/zinc/45/60/30/940456030.db2.gz	FGAGIEQFNAGLHJ-NVXWUHKLSA-N	1	0	356.474	1.870	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccnc(OC)c2)C[C@H]1c1cncn1C	ZINC001131023218	940456714	/nfs/dbraw/zinc/45/67/14/940456714.db2.gz	SEFCAAIQCBKFFS-IAGOWNOFSA-N	1	0	369.469	1.988	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2CC)C[C@H]1c1cncn1C	ZINC001131023333	940456987	/nfs/dbraw/zinc/45/69/87/940456987.db2.gz	XUYGYPBRSHCLES-IAGOWNOFSA-N	1	0	370.501	1.880	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@]23C[C@H]2CCC3)C[C@H]1c1cncn1C	ZINC001131031444	940457169	/nfs/dbraw/zinc/45/71/69/940457169.db2.gz	QDEOFTNKODTADP-WOCWXWTJSA-N	1	0	356.470	1.144	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnc(Cl)n2C)C[C@H]1c1cncn1C	ZINC001131031594	940460274	/nfs/dbraw/zinc/46/02/74/940460274.db2.gz	SFYVRGJDVYEQHW-CHWSQXEVSA-N	1	0	360.849	1.028	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc3nccn32)C[C@H]1c1cncn1C	ZINC001131028990	940463956	/nfs/dbraw/zinc/46/39/56/940463956.db2.gz	VDOGQVGFNKCUGW-HZPDHXFCSA-N	1	0	364.453	1.842	20	30		FDEDRO
N#CCOc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCOC3)C2)cc1	ZINC001086654586	940464580	/nfs/dbraw/zinc/46/45/80/940464580.db2.gz	RWYGCCYURURBPM-RCCFBDPRSA-N	1	0	357.454	2.000	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(CC)nnc2C)C[C@H]1c1cncn1C	ZINC001131035678	940465183	/nfs/dbraw/zinc/46/51/83/940465183.db2.gz	MFPCWLQCRQFEFZ-QZTJIDSGSA-N	1	0	366.469	1.302	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(CCC)n[nH]2)C[C@H]1c1cncn1C	ZINC001131040093	940468117	/nfs/dbraw/zinc/46/81/17/940468117.db2.gz	LLTAWYWKGUGFTF-NVXWUHKLSA-N	1	0	354.458	1.317	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2cncc(C)c2)C[C@H]1c1cncn1C	ZINC001131040536	940468875	/nfs/dbraw/zinc/46/88/75/940468875.db2.gz	YUUDKHVRUZJSTJ-QZTJIDSGSA-N	1	0	351.454	1.274	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C/C=C(\C)C=C)C[C@H]1c1cncn1C	ZINC001131046341	940475351	/nfs/dbraw/zinc/47/53/51/940475351.db2.gz	MHWFLLZSZCSLFA-JRLUYGLASA-N	1	0	371.485	1.129	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(=O)NC(C)C)C1	ZINC001131059917	940478943	/nfs/dbraw/zinc/47/89/43/940478943.db2.gz	PAXWCKMTORNSTI-HZPDHXFCSA-N	1	0	361.490	1.185	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccn(CC)c2C)C[C@H]1c1cncn1C	ZINC001131054072	940481041	/nfs/dbraw/zinc/48/10/41/940481041.db2.gz	QARRQHNSNZTXMD-QZTJIDSGSA-N	1	0	353.470	1.771	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC#CCOC)C2)CC1	ZINC001131066147	940482324	/nfs/dbraw/zinc/48/23/24/940482324.db2.gz	CGZBGFGYTLHBFE-QZTJIDSGSA-N	1	0	370.497	1.700	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2ccco2)C[C@H]1c1cncn1C	ZINC001131070127	940484303	/nfs/dbraw/zinc/48/43/03/940484303.db2.gz	GTIWDXBKQBQBTP-GVDBMIGSSA-N	1	0	370.453	1.351	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2nccn3ccnc23)C[C@H]1c1cncn1C	ZINC001131072070	940485036	/nfs/dbraw/zinc/48/50/36/940485036.db2.gz	HXOANOAEGNGWRY-HUUCEWRRSA-N	1	0	365.441	1.237	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCOc2ccc(F)cc2)C[C@H]1c1cncn1C	ZINC001131064987	940486814	/nfs/dbraw/zinc/48/68/14/940486814.db2.gz	YDXDEAHAKIIFGQ-QZTJIDSGSA-N	1	0	370.428	1.546	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2(CF)CCC2)C[C@H]1c1cncn1C	ZINC001131073598	940490292	/nfs/dbraw/zinc/49/02/92/940490292.db2.gz	JEQHYGDIILWBOA-HZPDHXFCSA-N	1	0	364.465	1.647	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2(CF)CCOCC2)C[C@H]1c1cncn1C	ZINC001131073815	940490392	/nfs/dbraw/zinc/49/03/92/940490392.db2.gz	PRIFTVBBSAXCSN-HZPDHXFCSA-N	1	0	362.449	1.094	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2oc(C3CC3)nc2C)C[C@H]1c1cncn1C	ZINC001131086452	940493619	/nfs/dbraw/zinc/49/36/19/940493619.db2.gz	PEGMMZJYBVMXHD-HZPDHXFCSA-N	1	0	367.453	1.815	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)NC(C)=O)C[C@H]1c1cncn1C	ZINC001131096561	940497367	/nfs/dbraw/zinc/49/73/67/940497367.db2.gz	HUJHZHIJNNUCHW-HZPDHXFCSA-N	1	0	361.490	1.185	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@H]1c1cncn1C	ZINC001131096755	940497385	/nfs/dbraw/zinc/49/73/85/940497385.db2.gz	NLXBHCQTZXQAKN-GDBMZVCRSA-N	1	0	370.457	1.011	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(F)cccc2F)C[C@H]1c1cncn1C	ZINC001131112630	940498935	/nfs/dbraw/zinc/49/89/35/940498935.db2.gz	JIFRRRZLBMSUNL-CZUORRHYSA-N	1	0	358.392	1.919	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)CC(F)(F)F)C[C@H]1c1cncn1C	ZINC001131101363	940500592	/nfs/dbraw/zinc/50/05/92/940500592.db2.gz	XOPXPOWGSUXAKO-CHWSQXEVSA-N	1	0	356.392	1.916	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3c([nH]2)CCC3)C[C@H]1c1cncn1C	ZINC001131106540	940502077	/nfs/dbraw/zinc/50/20/77/940502077.db2.gz	ZBWIWFMMMKUCGH-CRAIPNDOSA-N	1	0	351.454	1.458	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1c1cncn1C	ZINC001131108205	940502676	/nfs/dbraw/zinc/50/26/76/940502676.db2.gz	MQJWJOQZDKYSHJ-IAGOWNOFSA-N	1	0	356.474	1.247	20	30		FDEDRO
Cn1ncc2c1nc[nH+]c2[N-]N=C1c2ccccc2N(CC[NH+](C)C)C1=O	ZINC000807963655	940503213	/nfs/dbraw/zinc/50/32/13/940503213.db2.gz	ZRANZGOVGCFRJF-UHFFFAOYSA-N	1	0	364.413	1.088	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCCN(C)C(C)=O)C[C@H]1c1cncn1C	ZINC001131115720	940503802	/nfs/dbraw/zinc/50/38/02/940503802.db2.gz	WOFRRJFXOXRPSK-IAGOWNOFSA-N	1	0	361.490	1.139	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccccc2F)C[C@H]1c1cncn1C	ZINC001131117757	940504539	/nfs/dbraw/zinc/50/45/39/940504539.db2.gz	QEXAVRUYYIGQKG-SJLPKXTDSA-N	1	0	354.429	1.709	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1c1cncn1C	ZINC001131123312	940507083	/nfs/dbraw/zinc/50/70/83/940507083.db2.gz	AXZGVLUNMPDQTC-GDBMZVCRSA-N	1	0	370.457	1.011	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)nsc2C)C[C@H]1c1cncn1C	ZINC001131128245	940509902	/nfs/dbraw/zinc/50/99/02/940509902.db2.gz	ZERMUSQMKZJBRF-HUUCEWRRSA-N	1	0	357.483	1.715	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)c2)C[C@H]1c1cncn1C	ZINC001131130363	940510954	/nfs/dbraw/zinc/51/09/54/940510954.db2.gz	IJDMSLIKAUVLBV-QZTJIDSGSA-N	1	0	370.501	1.637	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)n2nc(C)cc2C)C[C@H]1c1cncn1C	ZINC001131130456	940511167	/nfs/dbraw/zinc/51/11/67/940511167.db2.gz	NUGGQHRQTOCODP-RCCFBDPRSA-N	1	0	368.485	1.402	20	30		FDEDRO
C=C[C@@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCO)C1)c1ccccc1	ZINC001131130553	940511237	/nfs/dbraw/zinc/51/12/37/940511237.db2.gz	SIFPAENFMSIHPU-GUDVDZBRSA-N	1	0	368.481	1.656	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C/C=C/Cl)C1	ZINC001131132179	940512293	/nfs/dbraw/zinc/51/22/93/940512293.db2.gz	BAUUZAUNVGPBFJ-VREHXWONSA-N	1	0	352.866	1.648	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCOCC)C1	ZINC001131132377	940512405	/nfs/dbraw/zinc/51/24/05/940512405.db2.gz	HPMUDQQTOMZRCL-BRWVUGGUSA-N	1	0	364.490	1.322	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COCCc2ccccc2)C[C@H]1c1cncn1C	ZINC001131136537	940513630	/nfs/dbraw/zinc/51/36/30/940513630.db2.gz	RPIKKOIEEXMJER-RTBURBONSA-N	1	0	366.465	1.197	20	30		FDEDRO
COc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2C2CCOCC2)cc1C#N	ZINC001131242372	940537713	/nfs/dbraw/zinc/53/77/13/940537713.db2.gz	MEQIBJREOWFSKT-ZWKOTPCHSA-N	1	0	357.454	1.835	20	30		FDEDRO
C=CCN(C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(C)C	ZINC000808346902	940540890	/nfs/dbraw/zinc/54/08/90/940540890.db2.gz	SXGFTUWZJWPEDM-SJORKVTESA-N	1	0	351.491	1.294	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCCOCC)C1	ZINC001131301295	940547204	/nfs/dbraw/zinc/54/72/04/940547204.db2.gz	RBISSHPFYLHAOZ-ZACQAIPSSA-N	1	0	365.474	1.485	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ncccn2)C1	ZINC001131313294	940553082	/nfs/dbraw/zinc/55/30/82/940553082.db2.gz	NBBUOVOPIFXJAT-OAGGEKHMSA-N	1	0	371.441	1.162	20	30		FDEDRO
COC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CSCC#N)CC1	ZINC001131429695	940567371	/nfs/dbraw/zinc/56/73/71/940567371.db2.gz	RSEVMWPPVNKYKH-UNEWFSDZSA-N	1	0	355.504	1.264	20	30		FDEDRO
CC(C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NCC#N)CC1	ZINC001131418999	940568054	/nfs/dbraw/zinc/56/80/54/940568054.db2.gz	KVGATMCLLFGZFO-APWZRJJASA-N	1	0	364.490	1.048	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(C)n[nH]2)CC1	ZINC001131433665	940596937	/nfs/dbraw/zinc/59/69/37/940596937.db2.gz	BSLHIMCIBZYSOC-AEFFLSMTSA-N	1	0	362.474	1.520	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H]2CCCO2)CC1	ZINC001131436835	940599834	/nfs/dbraw/zinc/59/98/34/940599834.db2.gz	DCGLVEBVQHYUEG-NSHGMRRFSA-N	1	0	364.486	1.191	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2cnn(C)c2)CC1	ZINC001131445049	940600887	/nfs/dbraw/zinc/60/08/87/940600887.db2.gz	HHADNFQGODWISI-QUCCMNQESA-N	1	0	360.502	1.915	20	30		FDEDRO
C=CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N(C)C(C)C)CC1	ZINC001131448508	940602156	/nfs/dbraw/zinc/60/21/56/940602156.db2.gz	CPBUJMJLFAMJKC-XLIONFOSSA-N	1	0	365.518	1.805	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)C2CC2)CC1	ZINC001131464441	940622229	/nfs/dbraw/zinc/62/22/29/940622229.db2.gz	RDWBJFNJZXIWQP-YJLNNSPDSA-N	1	0	363.502	1.320	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)/C=C/C2CC2)CC1	ZINC001131467919	940624966	/nfs/dbraw/zinc/62/49/66/940624966.db2.gz	WWOXEAWFVMMVCD-ZARSWLQMSA-N	1	0	361.486	1.241	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)NCC1CC[NH+](CCC(C)C)CC1)[C@H]1CCCO1	ZINC000808837794	940633791	/nfs/dbraw/zinc/63/37/91/940633791.db2.gz	CFKMBMSSDKDNFJ-QZTJIDSGSA-N	1	0	363.502	1.158	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[C@@H](C)OC)CC1	ZINC001131478524	940634321	/nfs/dbraw/zinc/63/43/21/940634321.db2.gz	BUNIATGOWBEVCI-POAQFYNOSA-N	1	0	368.518	1.990	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2ccncc2C)CC1	ZINC001131495787	940647224	/nfs/dbraw/zinc/64/72/24/940647224.db2.gz	DZCHMMMUURXSMP-CTNGQTDRSA-N	1	0	355.482	1.942	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccncc1	ZINC000805806542	945337499	/nfs/dbraw/zinc/33/74/99/945337499.db2.gz	QKMQILFLFQHTDC-HQSKLWIPSA-N	1	0	356.470	1.947	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)c2ccnn2C)CC1	ZINC001131500053	940650933	/nfs/dbraw/zinc/65/09/33/940650933.db2.gz	HDDKPSFXXAZLGB-WDYCEAGBSA-N	1	0	358.486	1.533	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1	ZINC001131500372	940651255	/nfs/dbraw/zinc/65/12/55/940651255.db2.gz	UJYDZOQRBUDIRU-YRXWBPOGSA-N	1	0	366.502	1.336	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(C3CC3)nn2C)CC1	ZINC001131506482	940668399	/nfs/dbraw/zinc/66/83/99/940668399.db2.gz	AIGLQVSJWKOVOI-XLIONFOSSA-N	1	0	370.497	1.920	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)NC(=O)CC)CC1	ZINC001131506966	940669598	/nfs/dbraw/zinc/66/95/98/940669598.db2.gz	YJSSSIYZPQLBMH-LXZKKBNFSA-N	1	0	371.909	1.639	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)C(=O)C(C)C)CC1	ZINC001131515407	940680356	/nfs/dbraw/zinc/68/03/56/940680356.db2.gz	IIXMEFNCLITJBE-MJGOQNOKSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)C(=O)C(C)C)CC1	ZINC001131515535	940680867	/nfs/dbraw/zinc/68/08/67/940680867.db2.gz	QERXZQNJLWKBHG-AEFFLSMTSA-N	1	0	351.491	1.273	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCC=C)CC1	ZINC001131515560	940680921	/nfs/dbraw/zinc/68/09/21/940680921.db2.gz	RWPPMEYFFUERTC-AABGKKOBSA-N	1	0	359.514	1.646	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H]2CCNC2=O)CC1	ZINC001131511959	940693588	/nfs/dbraw/zinc/69/35/88/940693588.db2.gz	FTJMXLPQIVQWOS-LMMKCTJWSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c(C)nnn2CC)CC1	ZINC001131512200	940694827	/nfs/dbraw/zinc/69/48/27/940694827.db2.gz	SAFFFFNEBVEMIW-AEFFLSMTSA-N	1	0	361.490	1.782	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCc2ncc(C)o2)CC1	ZINC001131528326	940698145	/nfs/dbraw/zinc/69/81/45/940698145.db2.gz	RQOVRKZEMJSCRE-APWZRJJASA-N	1	0	361.442	1.119	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCn3cncc3C2)CC1	ZINC001131522488	940705513	/nfs/dbraw/zinc/70/55/13/940705513.db2.gz	KNVAOCUVJYEQFK-RLLQIKCJSA-N	1	0	370.497	1.455	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H]2CCCC(=O)N2)CC1	ZINC001131526323	940711099	/nfs/dbraw/zinc/71/10/99/940711099.db2.gz	MCRLVJHJNNJXFM-QKLQHJQFSA-N	1	0	361.486	1.054	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1	ZINC001131526487	940711477	/nfs/dbraw/zinc/71/14/77/940711477.db2.gz	VXAQTULNRYFUMK-GIVPXCGWSA-N	1	0	368.477	1.999	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(=O)N(C)C)CC1	ZINC001131545924	940721876	/nfs/dbraw/zinc/72/18/76/940721876.db2.gz	GLRACTILUYGDCJ-OIISXLGYSA-N	1	0	365.518	1.661	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c(C)nn(C)c2C)CC1	ZINC001131537993	940725964	/nfs/dbraw/zinc/72/59/64/940725964.db2.gz	CWPXBGJOPZXHJP-MJGOQNOKSA-N	1	0	358.486	1.660	20	30		FDEDRO
C=CCC1(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+][C@@H](C)C(N)=O)CC2)CCC1	ZINC001131558276	940732812	/nfs/dbraw/zinc/73/28/12/940732812.db2.gz	RFMNXNYUPPGARB-UAGQMJEPSA-N	1	0	363.502	1.592	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH]cn2)CC1	ZINC001131578217	940755041	/nfs/dbraw/zinc/75/50/41/940755041.db2.gz	MOSRPXJBXYDGDX-LZQZEXGQSA-N	1	0	358.486	1.597	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH]cn2)CC1	ZINC001131578192	940755176	/nfs/dbraw/zinc/75/51/76/940755176.db2.gz	MEQSKVHJYJJIDZ-IPELMVKDSA-N	1	0	358.486	1.597	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)OCCOC)CC1	ZINC001131578449	940755555	/nfs/dbraw/zinc/75/55/55/940755555.db2.gz	YCIMAAAUUROOCI-NXHRZFHOSA-N	1	0	354.491	1.600	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)CNC(C)=O)CC1	ZINC001131578295	940755657	/nfs/dbraw/zinc/75/56/57/940755657.db2.gz	PRGPZQPNWONXRP-MSOLQXFVSA-N	1	0	363.502	1.158	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCCCOC)CC1	ZINC001131590674	940760604	/nfs/dbraw/zinc/76/06/04/940760604.db2.gz	NXPKFRKATHPBOJ-MJGOQNOKSA-N	1	0	354.491	1.601	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(NC(C)=O)CCCC2)CC1	ZINC001131580412	940766685	/nfs/dbraw/zinc/76/66/85/940766685.db2.gz	QXWMLRNSSACHLX-MSOLQXFVSA-N	1	0	361.486	1.054	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn(CC)nn2)CC1	ZINC001131585053	940770772	/nfs/dbraw/zinc/77/07/72/940770772.db2.gz	KTQNIVBUGWBNDY-AEFFLSMTSA-N	1	0	361.490	1.864	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2cncn2C)CC1	ZINC001131595123	940777350	/nfs/dbraw/zinc/77/73/50/940777350.db2.gz	NLUBHFHSJRYBOV-QUCCMNQESA-N	1	0	360.502	1.915	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)C)CC1	ZINC001131597321	940781212	/nfs/dbraw/zinc/78/12/12/940781212.db2.gz	WQLBYSKTBFBQOL-OIISXLGYSA-N	1	0	363.502	1.156	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn3cc[nH]c23)CC1	ZINC001131600157	940784138	/nfs/dbraw/zinc/78/41/38/940784138.db2.gz	YYAWTPVYMHVFCW-SJORKVTESA-N	1	0	355.442	1.285	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCCCNC(C)=O)CC1	ZINC001131602062	940785677	/nfs/dbraw/zinc/78/56/77/940785677.db2.gz	QICFEFFYGREAIM-QUCCMNQESA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2nn(CC)nc2C)CC1	ZINC001131615815	940794238	/nfs/dbraw/zinc/79/42/38/940794238.db2.gz	HZCBPRHSMJYKFK-AEFFLSMTSA-N	1	0	361.490	1.782	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)[C@@H]1CCCO1	ZINC000809309008	940812812	/nfs/dbraw/zinc/81/28/12/940812812.db2.gz	KVTKCFOZDGXGFM-MSOLQXFVSA-N	1	0	357.454	1.004	20	30		FDEDRO
CON=C(C(=O)NCC1(SC)CC[NH+](C)CC1)c1csc(N)n1	ZINC000823019257	945355319	/nfs/dbraw/zinc/35/53/19/945355319.db2.gz	MFGQEJWHBLHGIY-UHFFFAOYSA-N	1	0	357.505	1.019	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C)ncn3)C2)C1=O	ZINC001086675332	940911480	/nfs/dbraw/zinc/91/14/80/940911480.db2.gz	ZMJSIZIYCKWVPB-XHSDSOJGSA-N	1	0	357.458	1.060	20	30		FDEDRO
CCCn1c(C)nnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1	ZINC001086676102	940924524	/nfs/dbraw/zinc/92/45/24/940924524.db2.gz	VJLKWSPZKFETCJ-LSDHHAIUSA-N	1	0	369.473	1.885	20	30		FDEDRO
FC(F)(F)Cn1nnc(CO[NH+]=Cc2ccc(N3CCOCC3)cc2)n1	ZINC000809992387	940934601	/nfs/dbraw/zinc/93/46/01/940934601.db2.gz	LJDXEONKRKFOMC-UHFFFAOYSA-N	1	0	370.335	1.623	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H]1CCCN(c2cc[nH+]c(N)n2)C1	ZINC000810771420	941056288	/nfs/dbraw/zinc/05/62/88/941056288.db2.gz	QQPQZQRBTGEHTK-CZUORRHYSA-N	1	0	367.409	1.910	20	30		FDEDRO
Cn1oc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)cc1=O	ZINC001086683915	941065396	/nfs/dbraw/zinc/06/53/96/941065396.db2.gz	OBUQXZXMTBZYBT-NWDGAFQWSA-N	1	0	360.439	1.600	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3COC(=O)N3)C2)ccc1F	ZINC001086686295	941072267	/nfs/dbraw/zinc/07/22/67/941072267.db2.gz	PCMBPGDHMOYCFR-JGGQBBKZSA-N	1	0	360.389	1.180	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc[nH]c3CC)C2)C1=O	ZINC001086689453	941097867	/nfs/dbraw/zinc/09/78/67/941097867.db2.gz	QUIPDOAYZYDMMI-DAYGRLMNSA-N	1	0	358.486	1.852	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1	ZINC001086695338	941135316	/nfs/dbraw/zinc/13/53/16/941135316.db2.gz	MSWBAISHTBPNPN-BFHYXJOUSA-N	1	0	365.865	1.390	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(CC)ccn3)C2)C1=O	ZINC001086704074	941214668	/nfs/dbraw/zinc/21/46/68/941214668.db2.gz	DXZZWZVQFVLCSB-RCCFBDPRSA-N	1	0	370.497	1.919	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(=O)N[C@H](C)Cc2ccccc2C)CC1	ZINC000747816433	941274170	/nfs/dbraw/zinc/27/41/70/941274170.db2.gz	DRSXNGNWWPWIRK-QGZVFWFLSA-N	1	0	355.482	1.504	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)CC1	ZINC000747823887	941279955	/nfs/dbraw/zinc/27/99/55/941279955.db2.gz	XEQZLXKDQITRJU-HOTGVXAUSA-N	1	0	353.466	1.814	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@H](O)c2cccc(Br)c2)CC1	ZINC000747823744	941280452	/nfs/dbraw/zinc/28/04/52/941280452.db2.gz	TXRSGLCHMUAUPG-INIZCTEOSA-N	1	0	365.271	1.944	20	30		FDEDRO
C#C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccc(F)cc1	ZINC000812889072	941287287	/nfs/dbraw/zinc/28/72/87/941287287.db2.gz	MOSUDDYSAQNJKE-IEBWSBKVSA-N	1	0	358.461	1.968	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)c1ccc(F)cc1	ZINC000813041461	941314687	/nfs/dbraw/zinc/31/46/87/941314687.db2.gz	LFNRSEGDEGQRFY-MRXNPFEDSA-N	1	0	363.352	1.836	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1	ZINC000813517989	941396697	/nfs/dbraw/zinc/39/66/97/941396697.db2.gz	ZWYJKIPIEDSZPL-GJZGRUSLSA-N	1	0	350.463	1.594	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1	ZINC000813517988	941396852	/nfs/dbraw/zinc/39/68/52/941396852.db2.gz	ZWYJKIPIEDSZPL-CABCVRRESA-N	1	0	350.463	1.594	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)Nc1ccc(CC)cc1	ZINC001134053493	941529710	/nfs/dbraw/zinc/52/97/10/941529710.db2.gz	WVOVSBARBYOUJL-QGTPRVQTSA-N	1	0	359.470	1.873	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCCN(CC(C)(C)C)C1=O	ZINC001134053566	941529998	/nfs/dbraw/zinc/52/99/98/941529998.db2.gz	ZTQMJMWOBRKBSY-OAGGEKHMSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N[C@H](C)CCCCCC	ZINC001134054438	941530998	/nfs/dbraw/zinc/53/09/98/941530998.db2.gz	JLBDUNGPBVAMHR-ZACQAIPSSA-N	1	0	353.507	1.758	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)Nc1ccc(C)c(F)c1	ZINC001134061876	941540523	/nfs/dbraw/zinc/54/05/23/941540523.db2.gz	HWHAKVKROZMJCO-UNEWFSDZSA-N	1	0	363.433	1.758	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)N1CCc2ccccc2C1	ZINC001134062074	941540905	/nfs/dbraw/zinc/54/09/05/941540905.db2.gz	QHCRYASOKYFFCY-LZQZEXGQSA-N	1	0	371.481	1.257	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C)O1	ZINC001134096739	941547897	/nfs/dbraw/zinc/54/78/97/941547897.db2.gz	ZMHOWCYTZSCYTH-GDBMZVCRSA-N	1	0	365.499	1.536	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnc(C)nc2)C1	ZINC001086720799	941620124	/nfs/dbraw/zinc/62/01/24/941620124.db2.gz	OUCLYXVLKOEFAF-UHOSZYNNSA-N	1	0	355.486	1.257	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3c(C)ncn3C)C2)C1=O	ZINC001086724618	941713798	/nfs/dbraw/zinc/71/37/98/941713798.db2.gz	JJNDRANFWFHLET-ARFHVFGLSA-N	1	0	359.474	1.004	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1	ZINC000747981712	941727378	/nfs/dbraw/zinc/72/73/78/941727378.db2.gz	SXRWQPZBHVIPTR-MRXNPFEDSA-N	1	0	362.499	1.522	20	30		FDEDRO
C#CCNC(=O)CC[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000815009955	941751174	/nfs/dbraw/zinc/75/11/74/941751174.db2.gz	DXCMUVTYZWMGHV-UHFFFAOYSA-N	1	0	353.388	1.963	20	30		FDEDRO
O=C(NCC[NH2+]Cc1conc1Cc1ccccc1)C1N=CC=CC1=O	ZINC000815126973	941781658	/nfs/dbraw/zinc/78/16/58/941781658.db2.gz	UQMRXVACKXDRFZ-HNENSFHCSA-N	1	0	352.394	1.881	20	30		FDEDRO
C#CCNC(=O)CC[N@@H+](C)[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1	ZINC000815095106	941782663	/nfs/dbraw/zinc/78/26/63/941782663.db2.gz	MQHGARJWQLJFND-HNNXBMFYSA-N	1	0	363.483	1.359	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)CC1	ZINC000815155166	941787560	/nfs/dbraw/zinc/78/75/60/941787560.db2.gz	XVOHRSSVYJHNOG-INIZCTEOSA-N	1	0	369.444	1.439	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCO[C@H]1C(=C)C	ZINC001135067950	941883934	/nfs/dbraw/zinc/88/39/34/941883934.db2.gz	SXJUENIMQJDEJU-BZSNNMDCSA-N	1	0	365.518	1.877	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cnc[nH]c3=O)C2)c(F)c1	ZINC001086728318	941891993	/nfs/dbraw/zinc/89/19/93/941891993.db2.gz	XXCDGCBPMSGENY-DZGCQCFKSA-N	1	0	369.400	1.881	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1	ZINC001135093920	941909038	/nfs/dbraw/zinc/90/90/38/941909038.db2.gz	WCAJJEYSWAHOLZ-XLIONFOSSA-N	1	0	356.470	1.648	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NCc1cccs1	ZINC001135145757	941929532	/nfs/dbraw/zinc/92/95/32/941929532.db2.gz	SGJMIWGQSRGXBW-BPUTZDHNSA-N	1	0	365.499	1.440	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)N(C)c1ccccc1	ZINC001135145986	941930105	/nfs/dbraw/zinc/93/01/05/941930105.db2.gz	YMVXSGLTGHMVIC-NJAFHUGGSA-N	1	0	359.470	1.725	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccccc1Cl	ZINC001135147961	941934967	/nfs/dbraw/zinc/93/49/67/941934967.db2.gz	VTJDKXZYOUJNOB-GUYCJALGSA-N	1	0	365.861	1.966	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccc(OC)cc1	ZINC001135147876	941934993	/nfs/dbraw/zinc/93/49/93/941934993.db2.gz	RGSXDPBFBXKXLJ-WMZOPIPTSA-N	1	0	361.442	1.321	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Cl)cc1-n1cccn1	ZINC000815860280	941996400	/nfs/dbraw/zinc/99/64/00/941996400.db2.gz	DYMOQOGAGXZCPS-UHFFFAOYSA-N	1	0	373.844	1.536	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2nc(OC)cc(OC)n2)C1	ZINC001086733441	942073324	/nfs/dbraw/zinc/07/33/24/942073324.db2.gz	LLCZAGWWXYALSR-NWDGAFQWSA-N	1	0	354.838	1.734	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)CC1	ZINC000816909615	942389732	/nfs/dbraw/zinc/38/97/32/942389732.db2.gz	ZRJIBTOPZZZCPM-HOTGVXAUSA-N	1	0	367.465	1.795	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C)c(C)cn3)C2)C1=O	ZINC001086763520	942409280	/nfs/dbraw/zinc/40/92/80/942409280.db2.gz	OPZHRLLWZMHUFN-KSZLIROESA-N	1	0	370.497	1.973	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCCC3=O)C2)cc1	ZINC001086773587	942461040	/nfs/dbraw/zinc/46/10/40/942461040.db2.gz	TWPNHWJVZYGJOU-PKOBYXMFSA-N	1	0	353.466	1.778	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H](C)c3nnnn3C)C2)cc1	ZINC001086774181	942463858	/nfs/dbraw/zinc/46/38/58/942463858.db2.gz	YURLELQPXCWINC-JLJPHGGASA-N	1	0	352.442	1.441	20	30		FDEDRO
CN1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)C1=O	ZINC001086779405	942478222	/nfs/dbraw/zinc/47/82/22/942478222.db2.gz	LLERIRGDMBCZGN-KSZLIROESA-N	1	0	354.454	1.411	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3c(C)cnn3C)C2)C1=O	ZINC001086780815	942481963	/nfs/dbraw/zinc/48/19/63/942481963.db2.gz	NRBSVGOXGXOLFO-ARFHVFGLSA-N	1	0	359.474	1.004	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3nnn(C)c3C2)C1	ZINC001086787431	942518716	/nfs/dbraw/zinc/51/87/16/942518716.db2.gz	RPVJHHDUQSJLEK-MELADBBJSA-N	1	0	351.882	1.547	20	30		FDEDRO
Cn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)[nH]c1=O	ZINC001086794536	942536434	/nfs/dbraw/zinc/53/64/34/942536434.db2.gz	YYYXRUCIWLPZRT-NWDGAFQWSA-N	1	0	359.455	1.747	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3conc3CC)C2)C1=O	ZINC001086795823	942539188	/nfs/dbraw/zinc/53/91/88/942539188.db2.gz	HIGAPDJBEVBPEX-VBQJREDUSA-N	1	0	360.458	1.512	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)c1	ZINC001086798400	942635413	/nfs/dbraw/zinc/63/54/13/942635413.db2.gz	KTVBOXSFIIDCHH-FUHWJXTLSA-N	1	0	354.454	1.173	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)c1	ZINC001086803913	942737748	/nfs/dbraw/zinc/73/77/48/942737748.db2.gz	HAIBJHSADFUWFS-ZSYWTGECSA-N	1	0	368.481	1.834	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1	ZINC000817845364	943008358	/nfs/dbraw/zinc/00/83/58/943008358.db2.gz	DTLZFDRGBPUBCV-IBGZPJMESA-N	1	0	353.466	1.474	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1	ZINC000818611733	943301976	/nfs/dbraw/zinc/30/19/76/943301976.db2.gz	AMHHOIZLUYUEBI-UHFFFAOYSA-N	1	0	371.890	1.080	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C1(NC(=O)c2c(C)nn(C)c2C)CCCC1	ZINC000818606013	943329693	/nfs/dbraw/zinc/32/96/93/943329693.db2.gz	AUEBLIGRZPZXGQ-UHFFFAOYSA-N	1	0	373.501	1.151	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1	ZINC000856210630	970984698	/nfs/dbraw/zinc/98/46/98/970984698.db2.gz	KPRMYBVQCSWKGA-UHFFFAOYSA-N	1	0	355.482	1.609	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(OC)nc3)C2)nn1	ZINC001086823142	943384409	/nfs/dbraw/zinc/38/44/09/943384409.db2.gz	OVZHQJQABACJAK-GOEBONIOSA-N	1	0	370.457	1.556	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncccc3C)C2)nn1	ZINC001086823258	943385304	/nfs/dbraw/zinc/38/53/04/943385304.db2.gz	UUZDRADTMMIKFK-JKSUJKDBSA-N	1	0	354.458	1.856	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H](C)c3nnc(C)[nH]3)C2)nn1	ZINC001086823478	943388906	/nfs/dbraw/zinc/38/89/06/943388906.db2.gz	GQAZDHWHSAWURU-KWCYVHTRSA-N	1	0	358.450	1.140	20	30		FDEDRO
O=C(NCC[NH2+]C[C@H](O)c1ccccc1C(F)(F)F)C1N=CC=CC1=O	ZINC000819050297	943395945	/nfs/dbraw/zinc/39/59/45/943395945.db2.gz	REMVZTPTXJPMKQ-DQHOPXMZSA-N	1	0	369.343	1.855	20	30		FDEDRO
Cc1cccc(C)c1OC[C@@H](O)C[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000819053327	943396918	/nfs/dbraw/zinc/39/69/18/943396918.db2.gz	ILDOPKGZVFNONG-UHHPSXQGSA-N	1	0	359.426	1.159	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCC([C@@H](O)C[NH2+]C2CCN(CC#N)CC2)CC1	ZINC000819034548	943409599	/nfs/dbraw/zinc/40/95/99/943409599.db2.gz	NGODDBPUMSUAPZ-KRWDZBQOSA-N	1	0	366.506	1.572	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCCCN(C(=O)OC(C)(C)C)C1	ZINC000819062318	943426458	/nfs/dbraw/zinc/42/64/58/943426458.db2.gz	WSGSEUSMKPQZNU-CVEARBPZSA-N	1	0	354.495	1.572	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(C)ncn3)C2)nn1	ZINC001086824942	943437896	/nfs/dbraw/zinc/43/78/96/943437896.db2.gz	IJTJFJVQEAUTST-JKSUJKDBSA-N	1	0	369.473	1.641	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2COC(C)(C)O2)c(OC)c1	ZINC000819156233	943444464	/nfs/dbraw/zinc/44/44/64/943444464.db2.gz	QMRBUQIPTOFMQH-JKSUJKDBSA-N	1	0	351.443	1.905	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H]2COC3(CCCC3)O2)nc1	ZINC000819204276	943475077	/nfs/dbraw/zinc/47/50/77/943475077.db2.gz	AZZKXYHKGJMLND-AWEZNQCLSA-N	1	0	351.428	1.002	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1	ZINC000819251972	943483675	/nfs/dbraw/zinc/48/36/75/943483675.db2.gz	WWWUQGKCAYJWJK-CQSZACIVSA-N	1	0	363.462	1.678	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1	ZINC000819251971	943483761	/nfs/dbraw/zinc/48/37/61/943483761.db2.gz	WWWUQGKCAYJWJK-AWEZNQCLSA-N	1	0	363.462	1.678	20	30		FDEDRO
C[C@@H]1CN(CCNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CCO1	ZINC000819211114	943487886	/nfs/dbraw/zinc/48/78/86/943487886.db2.gz	SLGGFOJSMHPVKP-CABCVRRESA-N	1	0	368.478	1.410	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl	ZINC000819221938	943494089	/nfs/dbraw/zinc/49/40/89/943494089.db2.gz	JUHGCBIFTUSTTE-GFCCVEGCSA-N	1	0	368.282	1.924	20	30		FDEDRO
C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001086826065	943499508	/nfs/dbraw/zinc/49/95/08/943499508.db2.gz	USEFBXJRRJDLHM-LKCYJCQHSA-N	1	0	356.470	1.662	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]Cc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1	ZINC000819296945	943507450	/nfs/dbraw/zinc/50/74/50/943507450.db2.gz	GRNYYVSXESDDPI-FQEVSTJZSA-N	1	0	368.437	1.141	20	30		FDEDRO
CON=C(C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)c1csc(N)n1	ZINC000820347159	944012001	/nfs/dbraw/zinc/01/20/01/944012001.db2.gz	WXFXDAYCXLBITJ-AWEZNQCLSA-N	1	0	373.482	1.809	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)N(C)CC(F)(F)F)C1	ZINC001195581780	971052631	/nfs/dbraw/zinc/05/26/31/971052631.db2.gz	VLLSCZLXWPPDPX-RRFJBIMHSA-N	1	0	365.440	1.777	20	30		FDEDRO
C#CCCN(CCOC)C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1	ZINC000856391259	971112894	/nfs/dbraw/zinc/11/28/94/971112894.db2.gz	PGCGYROBVLNXJU-RTBURBONSA-N	1	0	360.502	1.732	20	30		FDEDRO
NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)/C=C\c2ccc(F)cc2)C1	ZINC001136516610	944760764	/nfs/dbraw/zinc/76/07/64/944760764.db2.gz	DEFKNQYNMQVSRA-AJHXJQRKSA-N	1	0	361.417	1.112	20	30		FDEDRO
CCN(CCC#N)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H](C)OC)C2	ZINC001110472759	971122216	/nfs/dbraw/zinc/12/22/16/971122216.db2.gz	JPKCPKLIWQQGSW-VQHPVUNQSA-N	1	0	364.490	1.285	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1C)[NH+]1CCCC1	ZINC001090720854	945968331	/nfs/dbraw/zinc/96/83/31/945968331.db2.gz	FDYGJHBAGQXTLO-OIISXLGYSA-N	1	0	356.474	1.410	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C)[NH+]1CCCC1	ZINC001090722258	945972674	/nfs/dbraw/zinc/97/26/74/945972674.db2.gz	YUUWPCCYDDNNST-KYJSFNMBSA-N	1	0	356.474	1.410	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1	ZINC001090753713	946289056	/nfs/dbraw/zinc/28/90/56/946289056.db2.gz	CPYXCWAXMKBTEW-RDTXWAMCSA-N	1	0	357.458	1.005	20	30		FDEDRO
C=CC[C@@H](CO)C[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000823888512	946500632	/nfs/dbraw/zinc/50/06/32/946500632.db2.gz	PDTIBUJJNZQGBO-MRXNPFEDSA-N	1	0	356.474	1.605	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1C	ZINC001090777922	946565683	/nfs/dbraw/zinc/56/56/83/946565683.db2.gz	KAVANRBHBVBYMD-DAXOMENPSA-N	1	0	362.453	1.278	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1C	ZINC001090778305	946568658	/nfs/dbraw/zinc/56/86/58/946568658.db2.gz	TYPUOFQQJICVSD-KCPJHIHWSA-N	1	0	367.494	1.944	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)cc1	ZINC001573290801	946910335	/nfs/dbraw/zinc/91/03/35/946910335.db2.gz	PYINGNQIOFXROI-KDURUIRLSA-N	1	0	372.432	1.899	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CC1	ZINC001573557956	946934453	/nfs/dbraw/zinc/93/44/53/946934453.db2.gz	CXXJFLYYWIONCF-BDJLRTHQSA-N	1	0	371.420	1.492	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2C1	ZINC001573294030	946976109	/nfs/dbraw/zinc/97/61/09/946976109.db2.gz	RQERZIPGWUWLHF-NWANDNLSSA-N	1	0	355.446	1.601	20	30		FDEDRO
C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CCN(C(=O)[C@@H](C)C#N)CC1	ZINC001573563869	946985687	/nfs/dbraw/zinc/98/56/87/946985687.db2.gz	CUESFGGCVOFPQZ-NWDGAFQWSA-N	1	0	373.486	1.805	20	30		FDEDRO
C#CC[N@@H+](CC(=O)[O-])CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1	ZINC001602695487	971308061	/nfs/dbraw/zinc/30/80/61/971308061.db2.gz	HNUHGUHADTWODT-UHFFFAOYSA-N	1	0	359.426	1.869	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573564674	946995500	/nfs/dbraw/zinc/99/55/00/946995500.db2.gz	KACQLOVWAAMCDW-NEPJUHHUSA-N	1	0	357.393	1.104	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC(C[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC001573564816	946996264	/nfs/dbraw/zinc/99/62/64/946996264.db2.gz	LHTRORAVXUJSIF-CQSZACIVSA-N	1	0	367.457	1.697	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1	ZINC001573564916	946999514	/nfs/dbraw/zinc/99/95/14/946999514.db2.gz	MVLNGUFNYHONFW-LLVKDONJSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573565656	947011365	/nfs/dbraw/zinc/01/13/65/947011365.db2.gz	TVZRCHYAQZRZHK-SGTLLEGYSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1ccccc1-c1nn[nH]n1	ZINC001573566284	947020904	/nfs/dbraw/zinc/02/09/04/947020904.db2.gz	AQBJQSKSNUOULZ-HOCLYGCPSA-N	1	0	367.457	1.839	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001573566508	947027040	/nfs/dbraw/zinc/02/70/40/947027040.db2.gz	COGIYTSKPMDLKE-GOEBONIOSA-N	1	0	367.457	1.887	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573566762	947032349	/nfs/dbraw/zinc/03/23/49/947032349.db2.gz	GTLHEZMVUPYLDN-KBPBESRZSA-N	1	0	353.430	1.355	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573568004	947061729	/nfs/dbraw/zinc/06/17/29/947061729.db2.gz	WJYMZVVUWDZJJM-GXTWGEPZSA-N	1	0	371.420	1.588	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573567993	947062550	/nfs/dbraw/zinc/06/25/50/947062550.db2.gz	WDSXXGZZNKCOCD-FZMZJTMJSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573568111	947066420	/nfs/dbraw/zinc/06/64/20/947066420.db2.gz	XYWDEHGHBZYVTA-JSGCOSHPSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@](C)(C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CC1	ZINC001573569804	947078900	/nfs/dbraw/zinc/07/89/00/947078900.db2.gz	FQCKJNXEUYHCNP-ADLMAVQZSA-N	1	0	371.420	1.540	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)[C@H](C)C1	ZINC001573570591	947092489	/nfs/dbraw/zinc/09/24/89/947092489.db2.gz	QZEPTALAPWCKNF-UMVBOHGHSA-N	1	0	353.430	1.210	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C	ZINC001573576049	947147258	/nfs/dbraw/zinc/14/72/58/947147258.db2.gz	CYQOEXVAPVRWFE-FZMZJTMJSA-N	1	0	354.418	1.142	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)NC[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21	ZINC001573305999	947165701	/nfs/dbraw/zinc/16/57/01/947165701.db2.gz	IDAJMCAHCUGASJ-FIIQBIKZSA-N	1	0	367.457	1.662	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC1(C)CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1	ZINC001573577443	947167561	/nfs/dbraw/zinc/16/75/61/947167561.db2.gz	PNYLEPSRHCDXAS-CQSZACIVSA-N	1	0	367.457	1.745	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@]1(C)CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573578050	947180018	/nfs/dbraw/zinc/18/00/18/947180018.db2.gz	XQEXLEGHPUOZPA-KUHUBIRLSA-N	1	0	367.457	1.745	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1	ZINC001573307962	947185508	/nfs/dbraw/zinc/18/55/08/947185508.db2.gz	XKJGUDZYXCPLDR-KRWDZBQOSA-N	1	0	355.446	1.737	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC[N@H+](Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1	ZINC001573582531	947190907	/nfs/dbraw/zinc/19/09/07/947190907.db2.gz	FBOQPNQWPGSUTL-NSHDSACASA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1	ZINC001573582635	947194676	/nfs/dbraw/zinc/19/46/76/947194676.db2.gz	FRJKVYMTXOWEKW-GFCCVEGCSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCCC1(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC1	ZINC001573582929	947198156	/nfs/dbraw/zinc/19/81/56/947198156.db2.gz	HXEQSVGTALFSEY-LBPRGKRZSA-N	1	0	371.420	1.542	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573583076	947198897	/nfs/dbraw/zinc/19/88/97/947198897.db2.gz	IMHLYDRIBYGOBK-VXGBXAGGSA-N	1	0	357.393	1.104	20	30		FDEDRO
CC(C)[C@@H](CCNC(=O)[C@H](C)C#N)[NH2+]Cc1ccc(-c2nn[nH]n2)s1	ZINC001573583857	947211743	/nfs/dbraw/zinc/21/17/43/947211743.db2.gz	PWNUCWJRIFRAEO-DGCLKSJQSA-N	1	0	361.475	1.708	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1	ZINC001573309918	947212982	/nfs/dbraw/zinc/21/29/82/947212982.db2.gz	PTYLLMNVQMZXMI-LJQANCHMSA-N	1	0	370.457	1.274	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573584247	947215871	/nfs/dbraw/zinc/21/58/71/947215871.db2.gz	RXKMUJZRZXRQGU-AAEUAGOBSA-N	1	0	357.393	1.104	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1	ZINC001573584304	947218209	/nfs/dbraw/zinc/21/82/09/947218209.db2.gz	SWGSSLLSYLQPRX-HIFRSBDPSA-N	1	0	353.430	1.497	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1	ZINC001573585314	947253322	/nfs/dbraw/zinc/25/33/22/947253322.db2.gz	OFNASRXYRHKCML-DAXOMENPSA-N	1	0	353.430	1.543	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1	ZINC001573585433	947258328	/nfs/dbraw/zinc/25/83/28/947258328.db2.gz	FXEIIJORSODMTI-BPLDGKMQSA-N	1	0	353.430	1.543	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573585792	947269364	/nfs/dbraw/zinc/26/93/64/947269364.db2.gz	WNPKVNMWBAORSG-TYNCELHUSA-N	1	0	371.420	1.540	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F	ZINC001573585761	947269418	/nfs/dbraw/zinc/26/94/18/947269418.db2.gz	VVHAOFZGRPUQLD-HFBAOOFYSA-N	1	0	371.420	1.682	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1c1ccc(OC)cc1	ZINC001090863274	947313819	/nfs/dbraw/zinc/31/38/19/947313819.db2.gz	ZAEYAOFUELZHTP-RBUKOAKNSA-N	1	0	371.481	1.778	20	30		FDEDRO
C=CCC(CC=C)C(=O)N(C)[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1	ZINC001573318948	947320450	/nfs/dbraw/zinc/32/04/50/947320450.db2.gz	HLYBBVNDSNRIOL-ZDUSSCGKSA-N	1	0	355.446	1.711	20	30		FDEDRO
C[C@@H]1C[C@H](N(C)CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC[N@@H+]1C	ZINC000266002211	971370303	/nfs/dbraw/zinc/37/03/03/971370303.db2.gz	OHRDIYBRIVJXTI-FMKPAKJESA-N	1	0	367.453	1.926	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1c1ccc(OC)cc1	ZINC001090866548	947404449	/nfs/dbraw/zinc/40/44/49/947404449.db2.gz	IBIFCIPGOBHAGX-RCCFBDPRSA-N	1	0	357.454	1.434	20	30		FDEDRO
C=CCCC(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1-c1nn[nH]n1)C2	ZINC001573330257	947433914	/nfs/dbraw/zinc/43/39/14/947433914.db2.gz	VXXQQFLFWBZVKW-UHFFFAOYSA-N	1	0	352.442	1.867	20	30		FDEDRO
C=CCCCCC[NH+]1CC([C@H](C)NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1	ZINC001573334249	947451773	/nfs/dbraw/zinc/45/17/73/947451773.db2.gz	BUYIYZKYZCUJQB-ZDUSSCGKSA-N	1	0	357.462	1.991	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H]([NH2+][C@@H](C)C(N)=O)C1	ZINC001090877411	947533362	/nfs/dbraw/zinc/53/33/62/947533362.db2.gz	RTEOEFKYOQCBJI-RRQGHBQHSA-N	1	0	359.470	1.665	20	30		FDEDRO
C=CCOCC(=O)NC1CC(C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573342983	947550041	/nfs/dbraw/zinc/55/00/41/947550041.db2.gz	HWYAWCRPKOZKIF-UHFFFAOYSA-N	1	0	374.420	1.193	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573343326	947554476	/nfs/dbraw/zinc/55/44/76/947554476.db2.gz	MYZAGFIIEPMAIN-DOTOQJQBSA-N	1	0	370.457	1.444	20	30		FDEDRO
C=CCOCC(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573343250	947554648	/nfs/dbraw/zinc/55/46/48/947554648.db2.gz	LJKFOWRVCIPAQH-OAHLLOKOSA-N	1	0	374.420	1.289	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001573344161	947569210	/nfs/dbraw/zinc/56/92/10/947569210.db2.gz	XNCUEANALYSTKT-IAGOWNOFSA-N	1	0	370.457	1.586	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)C[C@H]1c1ccc(OC)cc1	ZINC001090882621	947619392	/nfs/dbraw/zinc/61/93/92/947619392.db2.gz	LNQLJOXEQOFALD-NZSAHSFTSA-N	1	0	371.481	1.824	20	30		FDEDRO
CC#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C(C)(C)[C@H]21	ZINC001573358488	947663778	/nfs/dbraw/zinc/66/37/78/947663778.db2.gz	LJYXHCGXLVVRRT-KCXAZCMYSA-N	1	0	367.457	1.437	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)N(C)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090888887	947722061	/nfs/dbraw/zinc/72/20/61/947722061.db2.gz	YRTDACAWWJMEPI-YTQUADARSA-N	1	0	369.465	1.081	20	30		FDEDRO
CO[C@@H]1CN(c2cc(C)ncc2C#N)C[C@H]1NC(=O)CCC[NH+]1CCCC1	ZINC001090892577	947748821	/nfs/dbraw/zinc/74/88/21/947748821.db2.gz	VSECBDSTJUYQLX-IEBWSBKVSA-N	1	0	371.485	1.458	20	30		FDEDRO
CO[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)CCC[NH+]1CCCCC1	ZINC001090892921	947753713	/nfs/dbraw/zinc/75/37/13/947753713.db2.gz	LKIDMTOUSIAWRB-QZTJIDSGSA-N	1	0	371.485	1.539	20	30		FDEDRO
CO[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@H]1NC(=O)CCCC[NH+](C)C	ZINC001090903029	947867935	/nfs/dbraw/zinc/86/79/35/947867935.db2.gz	NCSUGIYCUQDDOW-IAGOWNOFSA-N	1	0	359.474	1.313	20	30		FDEDRO
CCc1ccccc1[C@@H]([NH3+])CNC(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000844198649	947868375	/nfs/dbraw/zinc/86/83/75/947868375.db2.gz	MIXWRFRFSVJNCN-IJYGLTAASA-N	1	0	356.426	1.282	20	30		FDEDRO
CN(C)S(=O)(=O)c1cccc(C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)c1	ZINC000844365800	948015595	/nfs/dbraw/zinc/01/55/95/948015595.db2.gz	FHRMNODKCUUDER-IBGZPJMESA-N	1	0	373.478	1.974	20	30		FDEDRO
COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N	ZINC000844403842	948033995	/nfs/dbraw/zinc/03/39/95/948033995.db2.gz	GZZOXUZWYHBGFJ-RBSFLKMASA-N	1	0	352.394	1.305	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1	ZINC000805939813	948156535	/nfs/dbraw/zinc/15/65/35/948156535.db2.gz	VWVIFOJXGJXLJP-ZDUSSCGKSA-N	1	0	368.275	1.648	20	30		FDEDRO
N#Cc1cncc(C[N@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)c1	ZINC001144080645	948201810	/nfs/dbraw/zinc/20/18/10/948201810.db2.gz	UIEXVJXSWUPXQQ-QUCCMNQESA-N	1	0	370.453	1.041	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@@H](CO)[C@@H]1CCCOC1	ZINC001171143916	948264308	/nfs/dbraw/zinc/26/43/08/948264308.db2.gz	NFRFCICXTOEPEA-PBHICJAKSA-N	1	0	369.425	1.060	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2ncccn2)C3)nc1	ZINC001144160405	948304439	/nfs/dbraw/zinc/30/44/39/948304439.db2.gz	JEDJHMUAYOAVPM-HXUWFJFHSA-N	1	0	364.453	1.862	20	30		FDEDRO
C#C[C@H]1COCCN1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1=O	ZINC000844708635	948311461	/nfs/dbraw/zinc/31/14/61/948311461.db2.gz	SKCZWUVIGWMXOE-UFYCRDLUSA-N	1	0	353.466	1.258	20	30		FDEDRO
C=CCn1c(C2CC2)nn(CN2CCN(CC[NH+](C)C)C(=O)C2)c1=S	ZINC000844713396	948319377	/nfs/dbraw/zinc/31/93/77/948319377.db2.gz	AUWDKEPAXCURDN-UHFFFAOYSA-N	1	0	364.519	1.141	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(N3C(=O)N[C@]4(CCSC4)C3=O)CC2)c1	ZINC000844740005	948350937	/nfs/dbraw/zinc/35/09/37/948350937.db2.gz	JZSOLCJQUMXNFX-IBGZPJMESA-N	1	0	370.478	1.950	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1Nc1ccnc(C#N)n1	ZINC001091012016	948438370	/nfs/dbraw/zinc/43/83/70/948438370.db2.gz	QZRQLEUUXZIKRC-HUUCEWRRSA-N	1	0	356.474	1.293	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)Cc3nnc(N)s3)CC2)c1	ZINC001144280541	948542019	/nfs/dbraw/zinc/54/20/19/948542019.db2.gz	DDLCIULSUWLUJU-UHFFFAOYSA-N	1	0	356.455	1.315	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ccc(OC)nn2)C1	ZINC001091034316	948558018	/nfs/dbraw/zinc/55/80/18/948558018.db2.gz	JKYSLABKIKFTEE-BNICSPFPSA-N	1	0	360.458	1.451	20	30		FDEDRO
C#CCN1CCN(C(=O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1	ZINC000775688669	971511962	/nfs/dbraw/zinc/51/19/62/971511962.db2.gz	IMXVZUKJLROPBV-TZIWHRDSSA-N	1	0	368.525	1.264	20	30		FDEDRO
C[C@H](CN(C)C(=O)C#CC1CC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001574692967	949045674	/nfs/dbraw/zinc/04/56/74/949045674.db2.gz	FBDGYNZBIVXCPD-GFCCVEGCSA-N	1	0	356.405	1.356	20	30		FDEDRO
CC(C)(C)C#CC(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573793359	949289672	/nfs/dbraw/zinc/28/96/72/949289672.db2.gz	QDSJYKBLFRPTCJ-UONOGXRCSA-N	1	0	367.457	1.430	20	30		FDEDRO
Cc1ccc(-n2nc(CCCNC(=O)NCC[C@H](C)[NH3+])c(C#N)c2N)cc1	ZINC000857112681	971586312	/nfs/dbraw/zinc/58/63/12/971586312.db2.gz	PSJNZCPWHNOIHB-AWEZNQCLSA-N	1	0	369.473	1.604	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)C1	ZINC001196313948	971597728	/nfs/dbraw/zinc/59/77/28/971597728.db2.gz	NHJFCTUAMIWLHX-HZPDHXFCSA-N	1	0	364.490	1.096	20	30		FDEDRO
C=CCCC[N@H+]1CCCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1	ZINC001196282756	971605168	/nfs/dbraw/zinc/60/51/68/971605168.db2.gz	YFLUVWRAORTHAQ-KGLIPLIRSA-N	1	0	350.381	1.833	20	30		FDEDRO
CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)[C@H](C)C#N	ZINC001574151101	950053393	/nfs/dbraw/zinc/05/33/93/950053393.db2.gz	KYAIGELIQNOAHQ-IUODEOHRSA-N	1	0	373.436	1.786	20	30		FDEDRO
CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)[C@H](C)C#N	ZINC001574151100	950056774	/nfs/dbraw/zinc/05/67/74/950056774.db2.gz	KYAIGELIQNOAHQ-DOMZBBRYSA-N	1	0	373.436	1.786	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCC[N@@H+]1CCC[C@@H]1C	ZINC000845917392	950086541	/nfs/dbraw/zinc/08/65/41/950086541.db2.gz	OZZKEDHLWGSWOR-LBPRGKRZSA-N	1	0	351.428	1.107	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCSC[C@@H]1C#N	ZINC000845916293	950087421	/nfs/dbraw/zinc/08/74/21/950087421.db2.gz	WXIHKNCHCHJONH-QWHCGFSZSA-N	1	0	356.492	1.299	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C2	ZINC001110718727	971636498	/nfs/dbraw/zinc/63/64/98/971636498.db2.gz	ASKBHJLCBRDQBR-YRXWBPOGSA-N	1	0	374.529	1.393	20	30		FDEDRO
C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1	ZINC001574983729	950236137	/nfs/dbraw/zinc/23/61/37/950236137.db2.gz	RIOCYYMNEUBADI-VIFPVBQESA-N	1	0	356.415	1.036	20	30		FDEDRO
C[C@H](CNC(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F	ZINC001574983956	950251054	/nfs/dbraw/zinc/25/10/54/950251054.db2.gz	TYFJYKHJKXLFKN-SNVBAGLBSA-N	1	0	368.376	1.114	20	30		FDEDRO
CC[C@H](C(=O)N[C@@H]1CN(c2cc(C)ncc2C#N)C[C@@H]1O)[NH+](CC)CC	ZINC001091180946	950324428	/nfs/dbraw/zinc/32/44/28/950324428.db2.gz	MGEWQPORZHVYDM-NUJGCVRESA-N	1	0	359.474	1.048	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)NC(C)(C)CC(=O)N1CCN(c2ccccc2)CC1	ZINC000846075293	950433583	/nfs/dbraw/zinc/43/35/83/950433583.db2.gz	OILUSMQBMFLUEA-UHFFFAOYSA-N	1	0	372.513	1.738	20	30		FDEDRO
C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1ccc(C#N)cc1F	ZINC001574994867	950496774	/nfs/dbraw/zinc/49/67/74/950496774.db2.gz	ATADUODGHOGTAD-JTQLQIEISA-N	1	0	368.376	1.114	20	30		FDEDRO
C[C@H](CNC(=O)c1cc(C#N)c[nH]1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001574996069	950522371	/nfs/dbraw/zinc/52/23/71/950522371.db2.gz	KLFZHVTVRNAFPD-SNVBAGLBSA-N	1	0	368.376	1.114	20	30		FDEDRO
C=CCCN(OCc1ccccc1)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1	ZINC000857244353	971670539	/nfs/dbraw/zinc/67/05/39/971670539.db2.gz	HHGIVDTYIFRGFZ-FXAWDEMLSA-N	1	0	357.454	1.863	20	30		FDEDRO
CNC(=O)CO[C@@H]1COC2(C1)CC[NH+]([C@@H](C)Cc1cccc(C#N)c1)CC2	ZINC001171213269	950546351	/nfs/dbraw/zinc/54/63/51/950546351.db2.gz	XVYUJKIEHYXCFK-LPHOPBHVSA-N	1	0	371.481	1.875	20	30		FDEDRO
CCOC(=O)Nc1ccc(NC(=O)C(=O)NCCC2(C[NH3+])CC2)cc1C#N	ZINC000846322471	950923115	/nfs/dbraw/zinc/92/31/15/950923115.db2.gz	MEQIESRUZRZRQL-UHFFFAOYSA-N	1	0	373.413	1.310	20	30		FDEDRO
C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC(N2CCS(=O)(=O)CC2)CC1	ZINC001171222985	950974638	/nfs/dbraw/zinc/97/46/38/950974638.db2.gz	KYXUAYPSKGOEQT-INIZCTEOSA-N	1	0	361.511	1.684	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC([NH2+]Cc2nc(C3CC3)nn2C)C1	ZINC001091243759	951143716	/nfs/dbraw/zinc/14/37/16/951143716.db2.gz	YJBLRRNKTMHZHS-GDVJOBBMSA-N	1	0	359.474	1.268	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1	ZINC000793910817	951161441	/nfs/dbraw/zinc/16/14/41/951161441.db2.gz	KKLWWUKTXVUBPW-LLVKDONJSA-N	1	0	360.296	1.638	20	30		FDEDRO
C=C(Br)C[NH2+]C1CC(CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC001091237059	951185114	/nfs/dbraw/zinc/18/51/14/951185114.db2.gz	JWMSGCRBFYGMDW-QBHFIFKDSA-N	1	0	358.280	1.281	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(C#N)cn1	ZINC001091258824	951232907	/nfs/dbraw/zinc/23/29/07/951232907.db2.gz	GXWBVGZFYACYCO-KBAYOESNSA-N	1	0	371.485	1.761	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2nnc(CC)n2C)C1	ZINC001091278569	951294843	/nfs/dbraw/zinc/29/48/43/951294843.db2.gz	RUORFPRYHBSDSW-GULCKSEBSA-N	1	0	361.490	1.343	20	30		FDEDRO
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)NCC[N@H+](C)C1CCCC1	ZINC000846731104	951505167	/nfs/dbraw/zinc/50/51/67/951505167.db2.gz	TWZSMHPCAOFPFK-SFHVURJKSA-N	1	0	372.469	1.041	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1	ZINC000846732357	951506250	/nfs/dbraw/zinc/50/62/50/951506250.db2.gz	BRLHGDHVIRWYKW-QZTJIDSGSA-N	1	0	372.469	1.041	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCc2cc(O[C@H]3CCN(CC#N)C3)ccn2)CC[N@@H+]1C	ZINC001091401121	951574626	/nfs/dbraw/zinc/57/46/26/951574626.db2.gz	TWWLXXCFGBTURW-GBESFXJTSA-N	1	0	371.485	1.405	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@]34C[C@H]3COC4)c2)C1	ZINC001091401276	951576325	/nfs/dbraw/zinc/57/63/25/951576325.db2.gz	XLBBFEJAFSDOIH-QSFXBCCZSA-N	1	0	357.454	1.764	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@H]3CC[C@@H](C)O3)c2)C1	ZINC001091405576	951601219	/nfs/dbraw/zinc/60/12/19/951601219.db2.gz	DHBUNOGAZGLJTL-AYOQOUSVSA-N	1	0	357.454	1.742	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@H]3CC[C@@H](C)O3)c2)C1	ZINC001091406264	951602457	/nfs/dbraw/zinc/60/24/57/951602457.db2.gz	QZVBEYUTRKMTKK-AYOQOUSVSA-N	1	0	357.454	1.742	20	30		FDEDRO
C#C[C@@H]1CCC[N@@H+](CC(=O)N2CCN(Cc3ccc(OC)cc3)CC2)C1	ZINC000847020604	951774802	/nfs/dbraw/zinc/77/48/02/951774802.db2.gz	COHVNARGHSJCMG-GOSISDBHSA-N	1	0	355.482	1.685	20	30		FDEDRO
C[C@]12CN(C(=O)c3ccc(=O)[nH]n3)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001091455415	951838210	/nfs/dbraw/zinc/83/82/10/951838210.db2.gz	DFQJKOLUEDFWJX-UZLBHIALSA-N	1	0	363.421	1.648	20	30		FDEDRO
C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1	ZINC001575108346	951924042	/nfs/dbraw/zinc/92/40/42/951924042.db2.gz	LOKUFGLYODMPNN-GFCCVEGCSA-N	1	0	364.413	1.222	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cscn4)C[C@]3(C)C2)C1=O	ZINC001091536374	951963201	/nfs/dbraw/zinc/96/32/01/951963201.db2.gz	UMCASPPUNVJTHR-XUWXXGDYSA-N	1	0	360.483	1.324	20	30		FDEDRO
Cc1nn(C)cc1C[N@@H+]1C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@]2(C)C1	ZINC001091574361	952110366	/nfs/dbraw/zinc/11/03/66/952110366.db2.gz	FRHUFIZNHRSGCU-APWZRJJASA-N	1	0	352.442	1.522	20	30		FDEDRO
N#Cc1cnc(N[C@@H]2CC[C@H](CNC(=O)CC[NH+]3CCCCC3)C2)cn1	ZINC001091581406	952136248	/nfs/dbraw/zinc/13/62/48/952136248.db2.gz	SQZNHRYEVRUBSK-JKSUJKDBSA-N	1	0	356.474	1.921	20	30		FDEDRO
COc1nccc(C[N@@H+]2C[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@]3(C)C2)n1	ZINC001091607052	952262028	/nfs/dbraw/zinc/26/20/28/952262028.db2.gz	QJUFARLNXOXQRQ-YJYMSZOUSA-N	1	0	366.425	1.279	20	30		FDEDRO
Cc1nn(C)cc1C[N@@H+]1C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@]2(C)C1	ZINC001091612729	952284289	/nfs/dbraw/zinc/28/42/89/952284289.db2.gz	AWMWXUPZTXOUSY-APWZRJJASA-N	1	0	352.442	1.522	20	30		FDEDRO
Cc1noc(CCC[N@@H+]2C[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@]3(C)C2)n1	ZINC001091612954	952287567	/nfs/dbraw/zinc/28/75/67/952287567.db2.gz	JTBWSUGXWSZQLA-BEFAXECRSA-N	1	0	368.441	1.605	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4[nH]ccc4C)C[C@]3(C)C2)C1=O	ZINC001091640810	952441550	/nfs/dbraw/zinc/44/15/50/952441550.db2.gz	YWJOEWUZJBBBSP-GUXCAODWSA-N	1	0	356.470	1.504	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+]([C@H](CCCC)C(N)=O)C2	ZINC001147582928	952442880	/nfs/dbraw/zinc/44/28/80/952442880.db2.gz	JMTIXBZEDBXJKK-ZACQAIPSSA-N	1	0	363.502	1.546	20	30		FDEDRO
Cn1cnc(C(=O)N2C[C@H]3C[N@H+](Cc4ccc(F)c(C#N)c4)C[C@@]3(C)C2)n1	ZINC001091646624	952483254	/nfs/dbraw/zinc/48/32/54/952483254.db2.gz	XDTOXZMZVDUZEQ-BEFAXECRSA-N	1	0	368.416	1.420	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[C@@H](Nc2ccc(C#N)nn2)C1	ZINC001091646895	952485618	/nfs/dbraw/zinc/48/56/18/952485618.db2.gz	ZWWALSAZMLJUHJ-UXLLHSPISA-N	1	0	356.474	1.919	20	30		FDEDRO
COc1ccccc1NC(=O)C[C@H](C)[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000772985632	952536088	/nfs/dbraw/zinc/53/60/88/952536088.db2.gz	UDQHPXZFYKKQKV-UNQMGURYSA-N	1	0	372.425	1.528	20	30		FDEDRO
Cn1ccc(CC(=O)N2C[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@@]3(C)C2)n1	ZINC001091664461	952539275	/nfs/dbraw/zinc/53/92/75/952539275.db2.gz	NAEFWICMIJNMLN-NQIIRXRSSA-N	1	0	363.465	1.815	20	30		FDEDRO
C[C@H](CC(=O)NCCc1ccccc1)[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000772986980	952654995	/nfs/dbraw/zinc/65/49/95/952654995.db2.gz	XLERFJHADJEZJC-MVZUJROASA-N	1	0	370.453	1.240	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)Cn3nc(C)cc3C(F)F)C[C@]2(C)C1	ZINC001091700240	952663868	/nfs/dbraw/zinc/66/38/68/952663868.db2.gz	HPRWPSQMFRCMGR-KDOFPFPSSA-N	1	0	350.413	1.933	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3OCC[C@H]3C)C2)C1	ZINC001148304961	952678396	/nfs/dbraw/zinc/67/83/96/952678396.db2.gz	PXUWWYYVXYRVCI-AEFFLSMTSA-N	1	0	363.502	1.370	20	30		FDEDRO
C=CCn1nc(C)c(-c2cc(C(=O)N3CC[C@H]([NH+]4CCC4)C3)[nH]n2)c1C	ZINC001148307096	952678931	/nfs/dbraw/zinc/67/89/31/952678931.db2.gz	IPISXRCTTCWIEK-HNNXBMFYSA-N	1	0	354.458	1.996	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+]([C@H](C)C(=O)N(CC)CC)C2	ZINC001148310373	952679434	/nfs/dbraw/zinc/67/94/34/952679434.db2.gz	FIDHXWJYUMQYMP-ZACQAIPSSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2C[N@@H+]([C@@H](C)C(=O)NC3CC3)C[C@@]2(C)C1	ZINC001091737473	952766241	/nfs/dbraw/zinc/76/62/41/952766241.db2.gz	LAHLYNGHQYELGI-MRUHUIDDSA-N	1	0	370.497	1.735	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3c(C)oc4nc[nH]c(=O)c43)C[C@]2(C)C1	ZINC001091740656	952769428	/nfs/dbraw/zinc/76/94/28/952769428.db2.gz	AVSYUTCTYZCXHC-YJYMSZOUSA-N	1	0	354.410	1.654	20	30		FDEDRO
O=C(OCc1ccccc1NC[C@H]1CCCC[NH2+]1)ON1C(=O)CCC1=O	ZINC001171335293	952771610	/nfs/dbraw/zinc/77/16/10/952771610.db2.gz	VEIJXYCWENYIRS-CQSZACIVSA-N	1	0	361.398	1.958	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cncc(F)c3)C[C@@]2(C)C1	ZINC001091748670	952794774	/nfs/dbraw/zinc/79/47/74/952794774.db2.gz	SZMUPXAZBDRICC-LMNJBCLMSA-N	1	0	370.472	1.599	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@@H]3CCNC(=O)CC3)C2)cn1	ZINC001086857826	952877378	/nfs/dbraw/zinc/87/73/78/952877378.db2.gz	ZDASVEROOZAFDV-TXPKVOOTSA-N	1	0	368.481	1.467	20	30		FDEDRO
CC(=O)N1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)C1	ZINC001086864081	952890554	/nfs/dbraw/zinc/89/05/54/952890554.db2.gz	BTRDVUKARJLVKS-FFZOFVMBSA-N	1	0	368.481	1.801	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc3c(c2)C(=O)NC3=O)C1	ZINC001086856421	952902842	/nfs/dbraw/zinc/90/28/42/952902842.db2.gz	ZAQDRDQBUNRISF-WCQYABFASA-N	1	0	361.829	1.811	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCc3cnn(C)c3)C2)nc1	ZINC001086857001	952903759	/nfs/dbraw/zinc/90/37/59/952903759.db2.gz	FSUWQKKUDOTQSO-FUHWJXTLSA-N	1	0	351.454	1.527	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NCc3cnsn3)C2)CC1	ZINC001086882121	952913283	/nfs/dbraw/zinc/91/32/83/952913283.db2.gz	AWQXZOQHAUMTKI-GOEBONIOSA-N	1	0	361.515	1.258	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NCc3nnc(C)o3)C2)CC1	ZINC001086882316	952913922	/nfs/dbraw/zinc/91/39/22/952913922.db2.gz	LIXFTTQTSPYGSP-DOTOQJQBSA-N	1	0	359.474	1.098	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(=O)[nH]c3)C2)C1=O	ZINC001086868643	952915419	/nfs/dbraw/zinc/91/54/19/952915419.db2.gz	RCULRYKFKYTQIB-NUEKZKHPSA-N	1	0	358.442	1.062	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccn(C)n2)C1	ZINC001086875790	952927047	/nfs/dbraw/zinc/92/70/47/952927047.db2.gz	HXUFUUSIRLQMEQ-DOTOQJQBSA-N	1	0	367.453	1.989	20	30		FDEDRO
CCc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1c1cnn(C)c1	ZINC001086971154	952973271	/nfs/dbraw/zinc/97/32/71/952973271.db2.gz	ZYEHKULCNIETSX-ISTRZQFTSA-N	1	0	356.430	1.214	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC2CC(F)(F)C2)C1	ZINC001086971561	952974298	/nfs/dbraw/zinc/97/42/98/952974298.db2.gz	UAAHOTGRWGFDHB-BYCMXARLSA-N	1	0	351.401	1.509	20	30		FDEDRO
CC1CC(C[NH2+][C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2c2cnn(C)c2)C1	ZINC001086975368	952984943	/nfs/dbraw/zinc/98/49/43/952984943.db2.gz	JTBGIQGCTKCQHK-BDHCGPDFSA-N	1	0	366.469	1.864	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2[NH2+]C[C@H]2CC(C)(C)CO2)cn1	ZINC001086978569	952990980	/nfs/dbraw/zinc/99/09/80/952990980.db2.gz	DLMSZHKARWVQQB-CEXWTWQISA-N	1	0	370.497	1.533	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(CC(C)C)n2)C[C@H]1c1cnn(C)c1	ZINC001086979309	952992760	/nfs/dbraw/zinc/99/27/60/952992760.db2.gz	UCXJGDLXABUERU-DOTOQJQBSA-N	1	0	356.474	1.726	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccncc2)C[C@H]1c1cnn(C)c1	ZINC001086979715	952993434	/nfs/dbraw/zinc/99/34/34/952993434.db2.gz	NXAZELQNYYNXAG-ZSYWTGECSA-N	1	0	351.454	1.689	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C)c2ccnn2C)C[C@H]1c1cnn(C)c1	ZINC001086979908	952993849	/nfs/dbraw/zinc/99/38/49/952993849.db2.gz	ZJEQEDZQYDFPLB-HYVNUMGLSA-N	1	0	356.474	1.417	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccn3c2CCCC3)C[C@H]1c1cnn(C)c1	ZINC001086982317	952994970	/nfs/dbraw/zinc/99/49/70/952994970.db2.gz	DKOIMPXFGAJSQV-ZWKOTPCHSA-N	1	0	353.470	1.942	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cncc(COC)c2)C[C@H]1c1cnn(C)c1	ZINC001086982866	952996217	/nfs/dbraw/zinc/99/62/17/952996217.db2.gz	IWTDGNUUZGOWNM-RBUKOAKNSA-N	1	0	369.469	1.735	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccsc2COC)C[C@H]1c1cnn(C)c1	ZINC001086984360	952998755	/nfs/dbraw/zinc/99/87/55/952998755.db2.gz	LSDILOQCIUHZAC-JKSUJKDBSA-N	1	0	358.467	1.459	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2cc(C)nn2C)C[C@H]1c1cnn(C)c1	ZINC001086987558	953010069	/nfs/dbraw/zinc/01/00/69/953010069.db2.gz	ZGPIXULOVNRYMT-ZWKOTPCHSA-N	1	0	356.474	1.165	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(CC)nnc2C)C[C@H]1c1cnn(C)c1	ZINC001086989039	953013383	/nfs/dbraw/zinc/01/33/83/953013383.db2.gz	FDHJIANYTLOITI-ZWKOTPCHSA-N	1	0	354.458	1.465	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccncc2OC(C)C)C[C@H]1c1cnn(C)c1	ZINC001086989286	953013710	/nfs/dbraw/zinc/01/37/10/953013710.db2.gz	SZWFOKDXKOQUJI-ZWKOTPCHSA-N	1	0	369.469	1.986	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2cncc(C)c2)C[C@H]1c1cnn(C)c1	ZINC001086989687	953014704	/nfs/dbraw/zinc/01/47/04/953014704.db2.gz	NVNITFMJNBLGOC-RBUKOAKNSA-N	1	0	353.470	1.826	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c(C)noc2C)C[C@H]1c1cnn(C)c1	ZINC001086992638	953024465	/nfs/dbraw/zinc/02/44/65/953024465.db2.gz	IJXUWTJICCIADB-DLBZAZTESA-N	1	0	369.469	1.520	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccncc2)C(C)C)C[C@H]1c1cnn(C)c1	ZINC001086993138	953026202	/nfs/dbraw/zinc/02/62/02/953026202.db2.gz	INWZFBSFSDYAFK-ZCNNSNEGSA-N	1	0	365.481	1.772	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccn(C(C)(C)C)n2)C[C@H]1c1cnn(C)c1	ZINC001086981049	953031478	/nfs/dbraw/zinc/03/14/78/953031478.db2.gz	LXTGKBKUSJLDNM-DOTOQJQBSA-N	1	0	356.474	1.755	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2ccnn2C)C[C@H]1c1cnn(C)c1	ZINC001086981280	953032589	/nfs/dbraw/zinc/03/25/89/953032589.db2.gz	ACWDCKGSPFEVHC-ZWKOTPCHSA-N	1	0	356.474	1.247	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c(C)ncc3C2)C[C@H]1c1cnn(C)c1	ZINC001086997277	953039953	/nfs/dbraw/zinc/03/99/53/953039953.db2.gz	WAIUPHZRJYTNIJ-AYOQOUSVSA-N	1	0	368.485	1.258	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc3nccnc32)C[C@H]1c1cnn(C)c1	ZINC001087003451	953059910	/nfs/dbraw/zinc/05/99/10/953059910.db2.gz	YSUJDHLFHUXHBM-FUHWJXTLSA-N	1	0	360.421	1.194	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc3c(s2)CCOC3)C[C@H]1c1cnn(C)c1	ZINC001087006112	953089570	/nfs/dbraw/zinc/08/95/70/953089570.db2.gz	IWIWLPCYPJOJBA-JKSUJKDBSA-N	1	0	370.478	1.385	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](OC)c2ccc(F)cc2)C[C@H]1c1cnn(C)c1	ZINC001087011391	953103800	/nfs/dbraw/zinc/10/38/00/953103800.db2.gz	ULJIJLKGRSPHLX-IPMKNSEASA-N	1	0	370.428	1.464	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC23CCOCC3)C[C@H]1c1cnn(C)c1	ZINC001087012973	953108327	/nfs/dbraw/zinc/10/83/27/953108327.db2.gz	YGQDOEVPJIMQQY-RCCFBDPRSA-N	1	0	358.486	1.697	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnc(COC)s2)C[C@H]1c1cnn(C)c1	ZINC001087012945	953108349	/nfs/dbraw/zinc/10/83/49/953108349.db2.gz	XGFUSDIBMDVSRJ-UONOGXRCSA-N	1	0	361.471	1.407	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C)n[nH]2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087031157	953126361	/nfs/dbraw/zinc/12/63/61/953126361.db2.gz	NJNCCTIHYFIBHT-IEBWSBKVSA-N	1	0	367.453	1.857	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087023818	953139620	/nfs/dbraw/zinc/13/96/20/953139620.db2.gz	ACLDYXFTCGMTRX-IEBWSBKVSA-N	1	0	367.453	1.559	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1ccc2nonc2c1	ZINC001087035596	953145640	/nfs/dbraw/zinc/14/56/40/953145640.db2.gz	GUJNALRAUPVTCT-SUYBPPKGSA-N	1	0	357.414	1.336	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1cc(C)ncn1	ZINC001087040183	953157305	/nfs/dbraw/zinc/15/73/05/953157305.db2.gz	VZWXPVNOOMSGED-CRAIPNDOSA-N	1	0	368.441	1.252	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1ccn(C(C)C)n1	ZINC001087052644	953183826	/nfs/dbraw/zinc/18/38/26/953183826.db2.gz	DZVCSDHWLJPXJM-IEBWSBKVSA-N	1	0	358.486	1.831	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2n[nH]cc2C)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087053445	953185761	/nfs/dbraw/zinc/18/57/61/953185761.db2.gz	PEUZDKFKONREFK-QZTJIDSGSA-N	1	0	367.453	1.857	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cncnc2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001087047670	953197441	/nfs/dbraw/zinc/19/74/41/953197441.db2.gz	XFBPOVBOEPXPSG-RHSMWYFYSA-N	1	0	371.466	1.677	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3cc(C)no3)[C@H](OCC)C2)c1	ZINC001087082449	953241186	/nfs/dbraw/zinc/24/11/86/953241186.db2.gz	MCTFAUAHFREGAB-IEBWSBKVSA-N	1	0	368.437	1.626	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]Cc3cnn(CC)n3)[C@H](OCC)C2)C1	ZINC001087082620	953241453	/nfs/dbraw/zinc/24/14/53/953241453.db2.gz	TVNYQNWTISICAR-NVXWUHKLSA-N	1	0	361.490	1.607	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCCC(C)C)C[C@H]1O	ZINC001196790091	971915446	/nfs/dbraw/zinc/91/54/46/971915446.db2.gz	INEQIGYSSNIEQL-MANSERQUSA-N	1	0	368.518	1.582	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C[NH2+][C@@H]3CCCNC3=O)[C@H](OCC)C2)CC1	ZINC001087079178	953263799	/nfs/dbraw/zinc/26/37/99/953263799.db2.gz	CEFDIMCDMLKCBE-KZNAEPCWSA-N	1	0	363.502	1.465	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]C[C@H]3CCCCO3)[C@H](OCC)C2)cn1	ZINC001087097378	953284425	/nfs/dbraw/zinc/28/44/25/953284425.db2.gz	MVAQKCJOOGEQCK-MISYRCLQSA-N	1	0	371.481	1.699	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CCN1c1nccnc1C#N	ZINC001091785757	953303630	/nfs/dbraw/zinc/30/36/30/953303630.db2.gz	BTBOBFBCUPFBGT-CGTJXYLNSA-N	1	0	370.501	1.942	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3CCC(=O)NC3)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001091809319	953341912	/nfs/dbraw/zinc/34/19/12/953341912.db2.gz	BKXFYWVKZGETJW-UEXGIBASSA-N	1	0	366.465	1.365	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@H](NC(=O)C[N@H+](C)C3CCC3)[C@H]2CC)n1	ZINC001091830165	953366722	/nfs/dbraw/zinc/36/67/22/953366722.db2.gz	YRDCZDYFMXZEKX-DLBZAZTESA-N	1	0	370.501	1.868	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N1C[C@H]2CCN(c3ccnc(C#N)n3)C[C@H]2C1	ZINC001091856401	953561780	/nfs/dbraw/zinc/56/17/80/953561780.db2.gz	FIFQFYLTCAEFDK-CVEARBPZSA-N	1	0	356.474	1.365	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@@H]3C2)n1	ZINC001091868579	953621040	/nfs/dbraw/zinc/62/10/40/953621040.db2.gz	WMUZLLRDPNUOAW-CVEARBPZSA-N	1	0	370.501	1.537	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3COCCN3C3CCCC3)C[C@]2(C)C1	ZINC001091946905	953811230	/nfs/dbraw/zinc/81/12/30/953811230.db2.gz	RFJOFKRQPJKJTO-LMNJBCLMSA-N	1	0	361.530	1.986	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)COCC[NH+](C)C)CCN1c1ncc(C#N)cc1Cl	ZINC001091990403	953898123	/nfs/dbraw/zinc/89/81/23/953898123.db2.gz	ZTSBZNDMDBPKGE-DOMZBBRYSA-N	1	0	365.865	1.268	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)C4(C(C)C)CC4)C[C@]3(C)C2)C1=O	ZINC001091993019	953902690	/nfs/dbraw/zinc/90/26/90/953902690.db2.gz	MYTSKVPMRPMEDF-HLIPFELVSA-N	1	0	359.514	1.990	20	30		FDEDRO
CC[NH+](CC)[C@@H](C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)[C@@H]1C)C(C)C	ZINC001091998574	953920400	/nfs/dbraw/zinc/92/04/00/953920400.db2.gz	VCMMYGQYGZKKSO-UWWQBHOKSA-N	1	0	358.490	1.798	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@]3(C)CCNC3=O)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001092008649	953952522	/nfs/dbraw/zinc/95/25/22/953952522.db2.gz	UWIGDNZWNCROMA-QMMLZNLJSA-N	1	0	366.465	1.365	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3C[N@H+](CC[C@H]4CCCO4)C[C@@]3(C)C2)nn1	ZINC001092079180	954225344	/nfs/dbraw/zinc/22/53/44/954225344.db2.gz	LEGRLANYFUYEFD-MDZRGWNJSA-N	1	0	359.474	1.427	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCCN2CCOCC2)C1	ZINC001196939047	971997597	/nfs/dbraw/zinc/99/75/97/971997597.db2.gz	DITLBFJIKVQSBA-RCCFBDPRSA-N	1	0	353.507	1.005	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)Cc3cn4cccc(C)c4n3)C[C@]2(C)C1	ZINC001092098135	954292060	/nfs/dbraw/zinc/29/20/60/954292060.db2.gz	PFEDMQPWIKSHJL-UTKZUKDTSA-N	1	0	350.466	1.989	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cc(C)nc4c3cnn4C)C[C@]2(C)C1	ZINC001092141384	954450390	/nfs/dbraw/zinc/45/03/90/954450390.db2.gz	SMTCAMBEBNUKPU-QRWLVFNGSA-N	1	0	351.454	1.694	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)Cn3c(C)cc(C)nc3=O)C[C@]2(C)C1	ZINC001092141205	954450822	/nfs/dbraw/zinc/45/08/22/954450822.db2.gz	OIFVANZNARKCEO-XLIONFOSSA-N	1	0	358.486	1.607	20	30		FDEDRO
CCn1cc(C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@@]3(C)C2)nn1	ZINC001092143206	954452550	/nfs/dbraw/zinc/45/25/50/954452550.db2.gz	BNTSLRDSTPICHK-XLIONFOSSA-N	1	0	364.453	1.764	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccnc4nc(C)nn43)C[C@]2(C)C1	ZINC001092195156	954505502	/nfs/dbraw/zinc/50/55/02/954505502.db2.gz	GAFULCREXXGKGN-BEFAXECRSA-N	1	0	354.458	1.793	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cccc(NC(=O)NC)c3)C[C@]2(C)C1	ZINC001092199222	954516222	/nfs/dbraw/zinc/51/62/22/954516222.db2.gz	HJRZGHUPRCDOKI-UZLBHIALSA-N	1	0	354.454	1.855	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@]2(C)C1	ZINC001092232487	954578724	/nfs/dbraw/zinc/57/87/24/954578724.db2.gz	NZWIUMNMEHYQMX-DXIQSLLYSA-N	1	0	365.477	1.269	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@H]2C[N@@H+](C[C@@H](C)OC)C[C@@]2(C)C1	ZINC001092211039	954616924	/nfs/dbraw/zinc/61/69/24/954616924.db2.gz	XZIVMEVPRSBWJY-QINHECLXSA-N	1	0	357.454	1.522	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc4c(c3)nnn4CC)C[C@]2(C)C1	ZINC001092266250	954632908	/nfs/dbraw/zinc/63/29/08/954632908.db2.gz	SDJUVJSBAMCAFI-UZLBHIALSA-N	1	0	351.454	1.868	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCCN3C(=O)C(C)C)C[C@]2(C)C1	ZINC001092298254	954737264	/nfs/dbraw/zinc/73/72/64/954737264.db2.gz	UPMMPUNWURGOPR-OPYAIIAOSA-N	1	0	359.514	1.827	20	30		FDEDRO
C[C@@H]1CN(c2snc(Cl)c2C#N)C[C@H]1CNC(=O)C[NH+]1CCCC1	ZINC001092364486	954935486	/nfs/dbraw/zinc/93/54/86/954935486.db2.gz	PPASHHSOESJRSI-VXGBXAGGSA-N	1	0	367.906	1.952	20	30		FDEDRO
CC(C)[C@H](C(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C)[NH+]1CCCC1	ZINC001092372925	955045753	/nfs/dbraw/zinc/04/57/53/955045753.db2.gz	NVAKELAFHUKGRQ-GPMSIDNRSA-N	1	0	370.501	1.657	20	30		FDEDRO
CC[C@@H](C(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C)[NH+](CC)CC	ZINC001092441534	955106884	/nfs/dbraw/zinc/10/68/84/955106884.db2.gz	BUVIEFGVYGGHBQ-INMHGKMJSA-N	1	0	358.490	1.657	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3cccc(F)c3)[C@H](C)C2)C1=O	ZINC001092442162	955108000	/nfs/dbraw/zinc/10/80/00/955108000.db2.gz	IKEIBKIODMAWBP-QGPMSJSTSA-N	1	0	359.445	1.910	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)c1cc[n+]([O-])cc1	ZINC001092447190	955127535	/nfs/dbraw/zinc/12/75/35/955127535.db2.gz	LWHXPPCVVVJXQT-DNVCBOLYSA-N	1	0	350.422	1.690	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1CN(c2ccncc2C#N)C[C@H]1C	ZINC001092411945	955140138	/nfs/dbraw/zinc/14/01/38/955140138.db2.gz	VWKCKPMVUJHEJT-OIISXLGYSA-N	1	0	361.465	1.822	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H](CNC(=O)C[N@H+](C)C3CCC3)[C@H](C)C2)n1	ZINC001092457073	955172325	/nfs/dbraw/zinc/17/23/25/955172325.db2.gz	URKPLTWCRXIOKB-HUUCEWRRSA-N	1	0	370.501	1.583	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C	ZINC001092460560	955185106	/nfs/dbraw/zinc/18/51/06/955185106.db2.gz	QJBAHFYMEVJLFS-BFYDXBDKSA-N	1	0	356.474	1.411	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CCNC(=O)CC[NH+]1CCCCC1	ZINC001092523454	955320747	/nfs/dbraw/zinc/32/07/47/955320747.db2.gz	KAGVTQUKGZEGBR-IAGOWNOFSA-N	1	0	370.501	1.803	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)[C@H]1CCOC1	ZINC001092492486	955346890	/nfs/dbraw/zinc/34/68/90/955346890.db2.gz	WECMQSXCERMRPH-BPQIPLTHSA-N	1	0	357.454	1.810	20	30		FDEDRO
C[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC001092551254	955402673	/nfs/dbraw/zinc/40/26/73/955402673.db2.gz	SPGIBTBVPSCITL-CHWSQXEVSA-N	1	0	360.849	1.734	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CCNC(=O)C(C)(C)[NH+]1CCCC1	ZINC001092563888	955470221	/nfs/dbraw/zinc/47/02/21/955470221.db2.gz	ZKAPOERHMHQUGK-HZPDHXFCSA-N	1	0	370.501	1.801	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CCNC(=O)[C@@]12CC[N@H+](C1)CCC2	ZINC001092533388	955502149	/nfs/dbraw/zinc/50/21/49/955502149.db2.gz	OQUFPHXJLTWXKZ-QINHECLXSA-N	1	0	368.485	1.413	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CCNC(=O)C1	ZINC001092537136	955519398	/nfs/dbraw/zinc/51/93/98/955519398.db2.gz	VXSLFWXUQQJRLX-NZSAHSFTSA-N	1	0	353.466	1.248	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3cc(C)sn3)[C@H](C)C2)C1=O	ZINC001092575077	955696293	/nfs/dbraw/zinc/69/62/93/955696293.db2.gz	JFIMROISVQJXMY-XNRPHZJLSA-N	1	0	362.499	1.536	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)NCC[C@@H]2CN(c3ccc(C#N)cn3)C[C@H]2C)C1	ZINC001092584105	955729909	/nfs/dbraw/zinc/72/99/09/955729909.db2.gz	HILRULUQMSMXCT-JFIYKMOQSA-N	1	0	355.486	1.874	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2cn(-c3cccnc3)nn2)[C@H](C)C1	ZINC001092660033	955928546	/nfs/dbraw/zinc/92/85/46/955928546.db2.gz	OXTOZWNNQUJQQV-TZMCWYRMSA-N	1	0	360.849	1.713	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](CNc2ccc(C#N)nn2)[C@H](C)C1	ZINC001092662005	955938354	/nfs/dbraw/zinc/93/83/54/955938354.db2.gz	INAWVJLYYSOEBM-FMKPAKJESA-N	1	0	362.453	1.535	20	30		FDEDRO
CCn1nnc(C)c1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C	ZINC001092673967	955980012	/nfs/dbraw/zinc/98/00/12/955980012.db2.gz	GYPJTMCKGODJGK-RDTXWAMCSA-N	1	0	366.469	1.976	20	30		FDEDRO
CC[C@@H](C(=O)N1C[C@@H](CNc2cncc(C#N)n2)[C@H](C)C1)[NH+](CC)CC	ZINC001092674883	955983796	/nfs/dbraw/zinc/98/37/96/955983796.db2.gz	RIYYJRKEMQPETC-INMHGKMJSA-N	1	0	358.490	1.975	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3ccncc3)c2)C1	ZINC001197206506	972149068	/nfs/dbraw/zinc/14/90/68/972149068.db2.gz	QELWSBBKUPEPSJ-BMGDILEWSA-N	1	0	355.442	1.397	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)[C@H]1CCCNC1=O	ZINC001092699947	956084607	/nfs/dbraw/zinc/08/46/07/956084607.db2.gz	XQNKVTAOYKVRIM-IOASZLSFSA-N	1	0	360.483	1.330	20	30		FDEDRO
C[NH+](C)CCOCC(=O)NC[C@]12CCC[C@H]1N(c1ccncc1C#N)CC2	ZINC001092700951	956091342	/nfs/dbraw/zinc/09/13/42/956091342.db2.gz	NPBJGQSBQMQDEC-UYAOXDASSA-N	1	0	371.485	1.397	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)NC[C@]23CCC[C@H]2N(c2cnc(C#N)cn2)CC3)C1	ZINC001092701054	956091895	/nfs/dbraw/zinc/09/18/95/956091895.db2.gz	RBJKCXPCXQZBCZ-WRWLIDTKSA-N	1	0	368.485	1.555	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)NC[C@]12CCC[C@H]1N(c1ccc(C#N)nn1)CC2	ZINC001092712829	956150986	/nfs/dbraw/zinc/15/09/86/956150986.db2.gz	MEBCDXRVRPJYII-XAUMDUMWSA-N	1	0	368.485	1.698	20	30		FDEDRO
N#Cc1cnc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+]2CCCC2)C3)cn1	ZINC001092847626	956489006	/nfs/dbraw/zinc/48/90/06/956489006.db2.gz	WONNDESOEQNBLH-IKGGRYGDSA-N	1	0	354.458	1.450	20	30		FDEDRO
Cc1nn[nH]c1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1C	ZINC001092873307	956607934	/nfs/dbraw/zinc/60/79/34/956607934.db2.gz	LVJLDBJHECNDQF-IAQYHMDHSA-N	1	0	356.405	1.622	20	30		FDEDRO
Cc1nsc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)c1C#N	ZINC001092859477	956715783	/nfs/dbraw/zinc/71/57/83/956715783.db2.gz	ICDQVVZTLLJZQB-SNPRPXQTSA-N	1	0	363.487	1.127	20	30		FDEDRO
CCc1nc(C#N)cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C3)n1	ZINC001092861313	956722488	/nfs/dbraw/zinc/72/24/88/956722488.db2.gz	VPVVJQZPODIMEX-QXSJWSMHSA-N	1	0	356.474	1.477	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)c1csnn1	ZINC001092862934	956727667	/nfs/dbraw/zinc/72/76/67/956727667.db2.gz	CQAPWPKYZRXRJF-UKRRQHHQSA-N	1	0	371.466	1.938	20	30		FDEDRO
C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C#N)c(Cl)s1	ZINC001092908022	956743268	/nfs/dbraw/zinc/74/32/68/956743268.db2.gz	CJVMXXWTYQNYCP-SCVCMEIPSA-N	1	0	353.879	1.846	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)c1n[nH]cc1F	ZINC001092941163	956859799	/nfs/dbraw/zinc/85/97/99/956859799.db2.gz	DWCXRDXKOGTJIZ-UKRRQHHQSA-N	1	0	371.416	1.949	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nc[nH]n3)cc2)C1	ZINC001197442361	972232092	/nfs/dbraw/zinc/23/20/92/972232092.db2.gz	XZTRRHBQCRNITK-IAOVAPTHSA-N	1	0	355.442	1.601	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@H]1C	ZINC001092978057	956975832	/nfs/dbraw/zinc/97/58/32/956975832.db2.gz	XDRHTWZFERMKGB-OWYHZJEWSA-N	1	0	372.513	1.923	20	30		FDEDRO
CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1)C(C)C	ZINC001092998954	957098843	/nfs/dbraw/zinc/09/88/43/957098843.db2.gz	DINQABPNEOCJND-VXIBKDFQSA-N	1	0	370.501	1.941	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)[C@H](C)C1	ZINC001093048026	957216543	/nfs/dbraw/zinc/21/65/43/957216543.db2.gz	AZOZBKJXPDCAIX-MWQQHZPXSA-N	1	0	366.893	1.725	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H](CNC(=O)c3cnn(C)n3)[C@H](C)C2)cc1C#N	ZINC001093051605	957225457	/nfs/dbraw/zinc/22/54/57/957225457.db2.gz	BJHKYWFKTLZSLT-CZUORRHYSA-N	1	0	368.441	1.193	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@H+](Cc3conc3CC)C[C@H]2C)nn1	ZINC001093035130	957252870	/nfs/dbraw/zinc/25/28/70/957252870.db2.gz	OOTNDCGUPMKHAZ-ZIAGYGMSSA-N	1	0	358.446	1.512	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N	ZINC001093057281	957276643	/nfs/dbraw/zinc/27/66/43/957276643.db2.gz	IXICBWRUFNUJIN-ANQUJSFKSA-N	1	0	354.458	1.449	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CNC(=O)c2cccnn2)[C@H](C)C1	ZINC001093075333	957337079	/nfs/dbraw/zinc/33/70/79/957337079.db2.gz	ZTXLYFNUMITCLX-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
C[NH+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2nccnc2C#N)C1	ZINC001093115598	957558096	/nfs/dbraw/zinc/55/80/96/957558096.db2.gz	ISDDLCNMLYFMTP-ZYHUDNBSSA-N	1	0	356.352	1.101	20	30		FDEDRO
Cc1cc(N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C(F)(F)F)c(C#N)cn1	ZINC001093115750	957558894	/nfs/dbraw/zinc/55/88/94/957558894.db2.gz	RIIKGZVXJLVOLS-UKRRQHHQSA-N	1	0	369.391	1.437	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@@H](C)C(=O)NC3CC3)C[C@H]2C)nc1	ZINC001093142821	957640033	/nfs/dbraw/zinc/64/00/33/957640033.db2.gz	DWKZUMIEUPPZFN-IJEWVQPXSA-N	1	0	354.454	1.028	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@H]1CCCC(=O)N1C	ZINC001093167849	957725070	/nfs/dbraw/zinc/72/50/70/957725070.db2.gz	FSONQLZYCPDGDZ-ATZDWAIDSA-N	1	0	368.481	1.753	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)c1ccn(C)n1	ZINC001093197119	957764084	/nfs/dbraw/zinc/76/40/84/957764084.db2.gz	AAJFQPDOVQSSEC-NVXWUHKLSA-N	1	0	354.429	1.909	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3ccccc3O)C[C@H]2C)C1=O	ZINC001093272703	957941196	/nfs/dbraw/zinc/94/11/96/957941196.db2.gz	VHGDPADJLORTCS-JFIYKMOQSA-N	1	0	371.481	1.867	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCNC2=O)C1	ZINC001093282414	957962632	/nfs/dbraw/zinc/96/26/32/957962632.db2.gz	YBZOYIUHGBVOLF-NUJGCVRESA-N	1	0	371.481	1.828	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)C3(CF)CC3)C[C@H]2C)C1=O	ZINC001093285752	957969248	/nfs/dbraw/zinc/96/92/48/957969248.db2.gz	UWLKCUMRPFJBPW-OAGGEKHMSA-N	1	0	351.466	1.597	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3ccnc(C)c3)C[C@H]2C)C1=O	ZINC001093286656	957971374	/nfs/dbraw/zinc/97/13/74/957971374.db2.gz	DFXVMPLUWUFQLY-ATZDWAIDSA-N	1	0	370.497	1.865	20	30		FDEDRO
COc1ccc(C(=NO)NC(=O)c2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)nc1	ZINC001197620190	972314299	/nfs/dbraw/zinc/31/42/99/972314299.db2.gz	OHMJINODJYYJMN-OAHLLOKOSA-N	1	0	370.409	1.223	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3snnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093431444	958056426	/nfs/dbraw/zinc/05/64/26/958056426.db2.gz	UMMHWIRNPVRJHN-LNCBFAARSA-N	1	0	350.488	1.612	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn[nH]c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093432340	958059258	/nfs/dbraw/zinc/05/92/58/958059258.db2.gz	CVACLASCLUXWGX-KCYZZUKISA-N	1	0	352.866	1.742	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3nnc[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093439015	958073483	/nfs/dbraw/zinc/07/34/83/958073483.db2.gz	IMBHCKKTSDXQQY-LTDCPUDJSA-N	1	0	361.490	1.280	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)ncn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093443579	958085397	/nfs/dbraw/zinc/08/53/97/958085397.db2.gz	PLCMMGLJMBOYMR-XSYGEPLQSA-N	1	0	358.486	1.941	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3CN(C(C)=O)C3)[C@H]2C(C)C)C[C@H]1O	ZINC001093444567	958090100	/nfs/dbraw/zinc/09/01/00/958090100.db2.gz	TVOLGIVNFSKUBO-XSYGEPLQSA-N	1	0	363.502	1.007	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc4n[nH]nc43)[C@H]2C(C)C)C[C@H]1O	ZINC001093446925	958097955	/nfs/dbraw/zinc/09/79/55/958097955.db2.gz	NWTUYFGNIUEJCR-ZTRFORPCSA-N	1	0	367.453	1.171	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccncc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093447447	958100032	/nfs/dbraw/zinc/10/00/32/958100032.db2.gz	VQMNBYVZZVDRAD-QCFAMHMHSA-N	1	0	355.482	1.532	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn4c3CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093448004	958104767	/nfs/dbraw/zinc/10/47/67/958104767.db2.gz	CDIQTWAVHGOCTB-UIXUWTQFSA-N	1	0	356.470	1.042	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn4c3CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093448381	958107648	/nfs/dbraw/zinc/10/76/48/958107648.db2.gz	IJJSDAZCCVQJTK-DLVXIWMQSA-N	1	0	358.486	1.595	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH]nc3CCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452275	958139464	/nfs/dbraw/zinc/13/94/64/958139464.db2.gz	GFHHHAVWTFZQTA-MLYOOKFZSA-N	1	0	358.486	1.575	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(=O)Nc3ccccc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093452346	958169029	/nfs/dbraw/zinc/16/90/29/958169029.db2.gz	HHTIEOSPNQJSFN-DCXXXQMHSA-N	1	0	369.465	1.224	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C#C)cc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093460106	958187883	/nfs/dbraw/zinc/18/78/83/958187883.db2.gz	PFYMPHMQDOMMSE-VMBXEPDQSA-N	1	0	350.462	1.881	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc4nonc4c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093462106	958193973	/nfs/dbraw/zinc/19/39/73/958193973.db2.gz	NFKXHIGKDRBQKJ-FTEYMNFISA-N	1	0	368.437	1.436	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(CCC)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093464162	958198407	/nfs/dbraw/zinc/19/84/07/958198407.db2.gz	ALRPOUDPDFHUEC-MLYOOKFZSA-N	1	0	358.486	1.506	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(CC=C)nn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093464487	958199332	/nfs/dbraw/zinc/19/93/32/958199332.db2.gz	BUVSDHYQRSJOBC-KLICCBINSA-N	1	0	359.474	1.230	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(CC=C)nn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093464493	958199362	/nfs/dbraw/zinc/19/93/62/958199362.db2.gz	BUVSDHYQRSJOBC-VYCZESIESA-N	1	0	359.474	1.230	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C(C)C)n[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093465353	958202860	/nfs/dbraw/zinc/20/28/60/958202860.db2.gz	JCUVLOJRKRSASM-XSYGEPLQSA-N	1	0	358.486	1.746	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc(C)nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093465845	958206514	/nfs/dbraw/zinc/20/65/14/958206514.db2.gz	JUFUHDWMNYOQLN-SOAMZJECSA-N	1	0	356.470	1.306	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CCC)C3)[C@H]2C(C)C)nn1	ZINC001093466585	958210253	/nfs/dbraw/zinc/21/02/53/958210253.db2.gz	OABPWMQWKBRUMY-MYZZLAAOSA-N	1	0	361.490	1.454	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3ccc(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093466726	958211034	/nfs/dbraw/zinc/21/10/34/958211034.db2.gz	PFKHDPYQZUCSBN-IZBJGVDFSA-N	1	0	360.502	1.734	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc4c(c3)CCO4)[C@H]2C(C)C)C[C@H]1O	ZINC001093468324	958218596	/nfs/dbraw/zinc/21/85/96/958218596.db2.gz	YZWFSZTUUAUVTF-VFSLUADLSA-N	1	0	368.477	1.834	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccncn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093469915	958225034	/nfs/dbraw/zinc/22/50/34/958225034.db2.gz	NJHOIGSXFFONFJ-XLMAVXFVSA-N	1	0	364.877	1.809	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(CCC=C)nn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093470166	958227181	/nfs/dbraw/zinc/22/71/81/958227181.db2.gz	QKZKKSBPEMHCPG-DLVXIWMQSA-N	1	0	371.485	1.067	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(OC)nn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093471401	958233988	/nfs/dbraw/zinc/23/39/88/958233988.db2.gz	DXCCYLHYYXWWQX-LFEHRJTNSA-N	1	0	360.458	1.251	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cnn(CC)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093472824	958241534	/nfs/dbraw/zinc/24/15/34/958241534.db2.gz	NYLRQMHASMYKAC-HNBVOPMISA-N	1	0	360.502	1.598	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn4c3CCCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093474296	958247799	/nfs/dbraw/zinc/24/77/99/958247799.db2.gz	UQZWAHXBVNCWOX-RBAQFSTRSA-N	1	0	370.497	1.432	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COc3ccccc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093477213	958257060	/nfs/dbraw/zinc/25/70/60/958257060.db2.gz	FYOLQCQPFOHQMP-YHBROIRLSA-N	1	0	370.493	1.973	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnc(OC)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093452651	958259585	/nfs/dbraw/zinc/25/95/85/958259585.db2.gz	MAMWWMPBHLPFGR-HBXLWWENSA-N	1	0	359.470	1.856	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc[nH]c3=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001093453083	958261578	/nfs/dbraw/zinc/26/15/78/958261578.db2.gz	SXUJZCVVCMBYOM-NNFUDEMPSA-N	1	0	360.458	1.338	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3nc(C)cc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093456436	958277446	/nfs/dbraw/zinc/27/74/46/958277446.db2.gz	CVKMPPGYOUDOOO-LFGUQSLTSA-N	1	0	358.486	1.099	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3csc(=O)[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093458507	958284681	/nfs/dbraw/zinc/28/46/81/958284681.db2.gz	DNQSGRIHCGWVNF-CVGURMSBSA-N	1	0	351.472	1.614	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3nccs3)[C@H]2C(C)C)C[C@H]1O	ZINC001093478095	958292980	/nfs/dbraw/zinc/29/29/80/958292980.db2.gz	BSSBJQHBVGOWTQ-VVWQDTPRSA-N	1	0	361.511	1.675	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3ccccc3=O)[C@H]2C(C)C)C[C@H]1O	ZINC001093479050	958297249	/nfs/dbraw/zinc/29/72/49/958297249.db2.gz	SZHANIFNRQDRTK-YAJHFMINSA-N	1	0	359.470	1.000	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncnc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001093480827	958304885	/nfs/dbraw/zinc/30/48/85/958304885.db2.gz	PCQAVADNJOQOEJ-FTEYMNFISA-N	1	0	358.486	1.805	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001093620622	958352788	/nfs/dbraw/zinc/35/27/88/958352788.db2.gz	MAGBDNNYDIVFMR-IUODEOHRSA-N	1	0	369.400	1.691	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001093621243	958354516	/nfs/dbraw/zinc/35/45/16/958354516.db2.gz	HRMBWQGKTDBZCM-NVXWUHKLSA-N	1	0	371.437	1.661	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093639455	958406611	/nfs/dbraw/zinc/40/66/11/958406611.db2.gz	OTSAGSAGNQCLCD-ZIAGYGMSSA-N	1	0	358.471	1.486	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093639705	958408401	/nfs/dbraw/zinc/40/84/01/958408401.db2.gz	QDTXVLLHALKVRF-CRAIPNDOSA-N	1	0	352.442	1.424	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2-c2ccccc2)[C@H](C)C1	ZINC001093677646	958529703	/nfs/dbraw/zinc/52/97/03/958529703.db2.gz	AZMAUNDDRLAWAX-RRFJBIMHSA-N	1	0	353.430	1.006	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2cc(C(F)(F)F)nn2C)[C@H](C)C1	ZINC001093679699	958534984	/nfs/dbraw/zinc/53/49/84/958534984.db2.gz	YNYMGHNEVNBXSW-IJLUTSLNSA-N	1	0	357.380	1.783	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1noc2c1COCC2	ZINC001093699274	958563468	/nfs/dbraw/zinc/56/34/68/958563468.db2.gz	KSAVNGXTWZCZAY-TZMCWYRMSA-N	1	0	369.425	1.445	20	30		FDEDRO
CCn1c(C)nnc1C[NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC001093699890	958567103	/nfs/dbraw/zinc/56/71/03/958567103.db2.gz	OAECUENLLREUNZ-IUODEOHRSA-N	1	0	355.446	1.304	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1nnc2n1CCCC2	ZINC001093722487	958598062	/nfs/dbraw/zinc/59/80/62/958598062.db2.gz	JETITQFJABHYSK-ZIAGYGMSSA-N	1	0	367.457	1.312	20	30		FDEDRO
COc1nccc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)n1	ZINC001093722564	958599683	/nfs/dbraw/zinc/59/96/83/958599683.db2.gz	ONKAZPXWYYNFGE-CHWSQXEVSA-N	1	0	354.414	1.183	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)Cc3ccc(C)o3)C[C@H]2C)C1=O	ZINC001093723531	958602825	/nfs/dbraw/zinc/60/28/25/958602825.db2.gz	SCUODTLLIAKJCA-QGPMSJSTSA-N	1	0	359.470	1.602	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)c(C#N)c2)[C@H](C)C1)n1cncn1	ZINC001093725170	958604385	/nfs/dbraw/zinc/60/43/85/958604385.db2.gz	ADENLMCUKCCVDU-JKIFEVAISA-N	1	0	370.432	1.734	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1)n1cncn1	ZINC001093725218	958604486	/nfs/dbraw/zinc/60/44/86/958604486.db2.gz	CSTIFBBQSARERZ-RVKKMQEKSA-N	1	0	352.442	1.595	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1cc2n(n1)CCC2	ZINC001093725238	958605589	/nfs/dbraw/zinc/60/55/89/958605589.db2.gz	DBSGRPHMLRPCMU-UKRRQHHQSA-N	1	0	352.442	1.527	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1nnc(C2CC2)n1C	ZINC001093726002	958610961	/nfs/dbraw/zinc/61/09/61/958610961.db2.gz	NEUDIZQCRNPDNS-IUODEOHRSA-N	1	0	367.457	1.390	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001093747680	958663796	/nfs/dbraw/zinc/66/37/96/958663796.db2.gz	AUCZCROFAJLGDZ-GDBMZVCRSA-N	1	0	368.441	1.215	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H](C[NH2+]Cc3cccc(C#N)c3)[C@H](C)C2)o1	ZINC001093754689	958681501	/nfs/dbraw/zinc/68/15/01/958681501.db2.gz	JNKDPMFMOOJVAZ-CXAGYDPISA-N	1	0	353.426	1.677	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1	ZINC000119109526	972372094	/nfs/dbraw/zinc/37/20/94/972372094.db2.gz	BMEAAGQJMJHABS-UHFFFAOYSA-N	1	0	362.405	1.657	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001093742133	958748155	/nfs/dbraw/zinc/74/81/55/958748155.db2.gz	KEYYPPNUUOGSTG-RHSMWYFYSA-N	1	0	369.444	1.858	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3cc(CC)ccn3)C[C@H]2C)C1=O	ZINC001093788650	958782603	/nfs/dbraw/zinc/78/26/03/958782603.db2.gz	ZKHZFIUGEOFLOW-KBAYOESNSA-N	1	0	370.497	1.729	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@H]21	ZINC000962024843	1013183386	/nfs/dbraw/zinc/18/33/86/1013183386.db2.gz	RSIUUELQBBFZSF-SIRPWMCASA-N	1	0	364.877	1.564	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C2CCC2)[C@@H]2CCCO2)CC1	ZINC000636676087	1013184063	/nfs/dbraw/zinc/18/40/63/1013184063.db2.gz	DENFGVQTUXJDML-ZWKOTPCHSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nc(CC)no2)[C@H](C)C1	ZINC001093778675	958873724	/nfs/dbraw/zinc/87/37/24/958873724.db2.gz	FPKSPVSCWMYKQN-FPCVCCKLSA-N	1	0	362.474	1.797	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ncc(C3CC3)o2)[C@H](C)C1	ZINC001093833126	958928166	/nfs/dbraw/zinc/92/81/66/958928166.db2.gz	SXBRMFKYKFGJKE-NXHRZFHOSA-N	1	0	370.497	1.834	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093882838	959109393	/nfs/dbraw/zinc/10/93/93/959109393.db2.gz	BXFCCUNOOICGFF-ZTFGCOKTSA-N	1	0	354.454	1.269	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093883392	959110855	/nfs/dbraw/zinc/11/08/55/959110855.db2.gz	JVJHPQVECSXBKS-FHLIZLRMSA-N	1	0	354.454	1.269	20	30		FDEDRO
CNC(=O)c1ccc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nn1	ZINC000266046455	972405027	/nfs/dbraw/zinc/40/50/27/972405027.db2.gz	WHEZAOQGEXMEFH-UHFFFAOYSA-N	1	0	350.426	1.420	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093929696	959244147	/nfs/dbraw/zinc/24/41/47/959244147.db2.gz	GLJCNYVMLLNZOO-RHSMWYFYSA-N	1	0	365.437	1.150	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3csc(C)n3)C[C@H]2C)C1=O	ZINC001093990644	959440308	/nfs/dbraw/zinc/44/03/08/959440308.db2.gz	CPQTUVVTWBVSSU-BPLDGKMQSA-N	1	0	362.499	1.536	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C	ZINC001094008279	959503383	/nfs/dbraw/zinc/50/33/83/959503383.db2.gz	KWDARCDQEZNIPA-CZUORRHYSA-N	1	0	370.453	1.016	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@H]2C)cc1C#N	ZINC001094008703	959505257	/nfs/dbraw/zinc/50/52/57/959505257.db2.gz	ZSVLHTZJWTWHGN-CZUORRHYSA-N	1	0	370.453	1.016	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093981765	959532665	/nfs/dbraw/zinc/53/26/65/959532665.db2.gz	RZKGBYGYLMADNN-ZTFGCOKTSA-N	1	0	354.454	1.221	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3cc(OC)no3)[C@H](C)C2)c1	ZINC001094028112	959549859	/nfs/dbraw/zinc/54/98/59/959549859.db2.gz	RNTSAJIVIBMPPP-CZUORRHYSA-N	1	0	354.410	1.557	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001094048722	959622884	/nfs/dbraw/zinc/62/28/84/959622884.db2.gz	JRAVUOGGWBOSQH-CZUORRHYSA-N	1	0	365.437	1.483	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2snnc2C)[C@H](C)C1	ZINC001094057750	959651117	/nfs/dbraw/zinc/65/11/17/959651117.db2.gz	WAOBLJFGYAXHMP-NGFQHRJXSA-N	1	0	350.488	1.622	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3cc(OC)ccn3)[C@H](C)C2)nn1	ZINC001094095423	959772135	/nfs/dbraw/zinc/77/21/35/959772135.db2.gz	QEUUJVQVVVEZOZ-HUUCEWRRSA-N	1	0	370.457	1.366	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3cc(C)nc(C)n3)C[C@H]2C)C1=O	ZINC001094110163	959790460	/nfs/dbraw/zinc/79/04/60/959790460.db2.gz	RWEBXWHMZHJBGD-XYPHTWIQSA-N	1	0	371.485	1.178	20	30		FDEDRO
CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)s3)[C@H](C)C2)nn1	ZINC001094138754	959875888	/nfs/dbraw/zinc/87/58/88/959875888.db2.gz	PGCBHUQEAGWDQP-CHWSQXEVSA-N	1	0	358.471	1.729	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]Cc2nocc2C)[C@H](C)C1	ZINC001094173834	959973590	/nfs/dbraw/zinc/97/35/90/959973590.db2.gz	AGAZFFAUGDUCMY-GDBMZVCRSA-N	1	0	368.437	1.888	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ncnn3C(C)C)[C@H](C)C2)cn1	ZINC001094174249	959976160	/nfs/dbraw/zinc/97/61/60/959976160.db2.gz	AWOKMGZLSZMCGS-NVXWUHKLSA-N	1	0	366.469	1.733	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ncnn3CCC)[C@H](C)C2)cn1	ZINC001094174488	959978729	/nfs/dbraw/zinc/97/87/29/959978729.db2.gz	KUTRCZSMKGLWKH-NVXWUHKLSA-N	1	0	366.469	1.562	20	30		FDEDRO
C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCNc2ccc(C#N)nc2)CC1	ZINC001094179184	959987457	/nfs/dbraw/zinc/98/74/57/959987457.db2.gz	HYBCOYMLYPFIMZ-MSOLQXFVSA-N	1	0	357.458	1.228	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3ccc(OC)cc3)C[C@H]2C)C1=O	ZINC001094182933	959991932	/nfs/dbraw/zinc/99/19/32/959991932.db2.gz	AQBABNXOMAYGLX-SUMDDJOVSA-N	1	0	371.481	1.780	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)COc3ccccc3)C[C@H]2C)C1=O	ZINC001094184362	960062311	/nfs/dbraw/zinc/06/23/11/960062311.db2.gz	VMRKFSDYXOLEMR-ZHALLVOQSA-N	1	0	371.481	1.536	20	30		FDEDRO
CCn1nc(C)c(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)cc3)[C@H](C)C2)n1	ZINC001094257704	960233085	/nfs/dbraw/zinc/23/30/85/960233085.db2.gz	MTKLSDDZTCAQSO-RDTXWAMCSA-N	1	0	366.469	1.976	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@@]3(CNC(=O)c4ccnn4C)CCC[C@@H]23)C1=O	ZINC001094374411	960326392	/nfs/dbraw/zinc/32/63/92/960326392.db2.gz	XCOIZRSWQGBSHO-MBOZVWFJSA-N	1	0	371.485	1.181	20	30		FDEDRO
Cn1cncc1C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C#N)[nH]3)CCC[C@@H]12	ZINC001094394718	960344722	/nfs/dbraw/zinc/34/47/22/960344722.db2.gz	QHBXYOZMZBDHCM-IEBWSBKVSA-N	1	0	352.442	1.794	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4ncncc4C3)CCC[C@@H]12	ZINC001094433966	960447766	/nfs/dbraw/zinc/44/77/66/960447766.db2.gz	LCNKNXCBYNOWPW-LDQXTDLNSA-N	1	0	352.482	1.966	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@@]3(CNC(=O)c4cncn4C)CCC[C@@H]23)C1=O	ZINC001094462429	960457248	/nfs/dbraw/zinc/45/72/48/960457248.db2.gz	VMIWRHYWMFLJTN-WRWLIDTKSA-N	1	0	371.485	1.181	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4c(c3)NC(=O)CO4)CCC[C@@H]12	ZINC001094439805	960492516	/nfs/dbraw/zinc/49/25/16/960492516.db2.gz	XTEDRMHTSIKLBK-YLJYHZDGSA-N	1	0	353.422	1.625	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3nc(OC)cc(OC)n3)CCC[C@@H]12	ZINC001094450524	960527892	/nfs/dbraw/zinc/52/78/92/960527892.db2.gz	STVXEPNUIIPJKH-AUUYWEPGSA-N	1	0	358.442	1.492	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3sccc3-n3cnnn3)CCC[C@@H]12	ZINC001094456257	960544338	/nfs/dbraw/zinc/54/43/38/960544338.db2.gz	CQYQWPIFYCUMEF-RHSMWYFYSA-N	1	0	356.455	1.331	20	30		FDEDRO
C#C[C@H]([NH2+][C@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1)[C@H]1CCCO1	ZINC000775793031	972515924	/nfs/dbraw/zinc/51/59/24/972515924.db2.gz	IZXKEOHEGPZASD-AYOQOUSVSA-N	1	0	359.445	1.633	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4nncn4CC3)CCC[C@@H]12	ZINC001094471242	960637521	/nfs/dbraw/zinc/63/75/21/960637521.db2.gz	MWMFMQUYJSQNPQ-SQGPQFPESA-N	1	0	355.486	1.615	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3coc4c3C(=O)NCCC4)CCC[C@@H]12	ZINC001094472425	960640473	/nfs/dbraw/zinc/64/04/73/960640473.db2.gz	BGMZTUMIWJHTFP-DYESRHJHSA-N	1	0	369.465	1.953	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3c4n(c(=O)n3C)CCCC4)CCC[C@@H]12	ZINC001094509159	960688728	/nfs/dbraw/zinc/68/87/28/960688728.db2.gz	BFVBVNBAJKIQSK-DYESRHJHSA-N	1	0	370.497	1.521	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(N)=O)CC3)cc1	ZINC001094530218	960737074	/nfs/dbraw/zinc/73/70/74/960737074.db2.gz	XFQKOXNMJQLECM-YLJYHZDGSA-N	1	0	355.438	1.158	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2cc(C)no2)CC3)nn1	ZINC001094531389	960742073	/nfs/dbraw/zinc/74/20/73/960742073.db2.gz	MOZDIRRVQRCWMV-IEBWSBKVSA-N	1	0	370.457	1.935	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(=O)n(C)n3)CCC[C@@H]12	ZINC001094574183	960850803	/nfs/dbraw/zinc/85/08/03/960850803.db2.gz	VLSLSTUOSPRTMP-RHSMWYFYSA-N	1	0	350.850	1.507	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH]nc3-c3cnn(C)c3)CCC[C@@H]12	ZINC001094557037	960908373	/nfs/dbraw/zinc/90/83/73/960908373.db2.gz	BPMJPKOQHUSKFR-YLJYHZDGSA-N	1	0	366.469	1.808	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH]nc3-c3cnn(C)c3)CCC[C@@H]12	ZINC001094557133	960910505	/nfs/dbraw/zinc/91/05/05/960910505.db2.gz	IALAMGXMRIVJBB-VQIMIIECSA-N	1	0	354.458	1.971	20	30		FDEDRO
N#Cc1ccccc1CC(=O)n1cc(Br)ccc1=NCC[NH3+]	ZINC001181804997	961128417	/nfs/dbraw/zinc/12/84/17/961128417.db2.gz	FEPGATKTNHCFKJ-UHFFFAOYSA-N	1	0	359.227	1.865	20	30		FDEDRO
C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCCNc2ccncc2C#N)CC1	ZINC001094835710	961230151	/nfs/dbraw/zinc/23/01/51/961230151.db2.gz	CGFIBXJFCLGDGG-MJGOQNOKSA-N	1	0	371.485	1.040	20	30		FDEDRO
N#CC1(NC(=O)CC2CC(=O)NC(=O)C2)CC[NH+](Cc2ccccc2)CC1	ZINC001182180701	961516001	/nfs/dbraw/zinc/51/60/01/961516001.db2.gz	XJANNCBVLQHBHB-UHFFFAOYSA-N	1	0	368.437	1.104	20	30		FDEDRO
CC(=O)N1CCO[C@]2(C1)COCC[N@@H+]([C@H](C)Cc1ccc(C#N)cc1)C2	ZINC001172304924	961616583	/nfs/dbraw/zinc/61/65/83/961616583.db2.gz	BLOTWGGJEPWASC-OXQOHEQNSA-N	1	0	357.454	1.439	20	30		FDEDRO
CSCC[C@H](NC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)CCCC#N)C(N)=O	ZINC001172492089	961686089	/nfs/dbraw/zinc/68/60/89/961686089.db2.gz	QCZPSDBUKYBDBO-KKUMJFAQSA-N	1	0	356.536	1.796	20	30		FDEDRO
C=C[C@@H](CO)[NH2+][C@H]1C[C@@H](C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C1	ZINC001172695754	961741569	/nfs/dbraw/zinc/74/15/69/961741569.db2.gz	LQINSCOAQZXNAF-IHRRRGAJSA-N	1	0	356.463	1.843	20	30		FDEDRO
C#CCN(C(=O)NCC1([NH+](C)C)CCCCC1)[C@@H]1CCS(=O)(=O)C1	ZINC000774147205	961771305	/nfs/dbraw/zinc/77/13/05/961771305.db2.gz	SSSZHEHQDDSCCZ-OAHLLOKOSA-N	1	0	355.504	1.083	20	30		FDEDRO
C#CCN(C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1	ZINC000774169812	961797740	/nfs/dbraw/zinc/79/77/40/961797740.db2.gz	UCUXWHPFQZYRRY-SJORKVTESA-N	1	0	369.531	1.330	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCC(=O)N2CCCC2)C[C@H]1C#N	ZINC001172967743	961854899	/nfs/dbraw/zinc/85/48/99/961854899.db2.gz	AQFSYNBIAXQDOX-GJZGRUSLSA-N	1	0	350.463	1.880	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CCS(=O)(=O)CC2)C[C@H]1C#N	ZINC001172969406	961856627	/nfs/dbraw/zinc/85/66/27/961856627.db2.gz	VBPOCDXXYJYEFN-KBPBESRZSA-N	1	0	357.476	1.445	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC2(S(C)(=O)=O)CCC2)C[C@H]1C#N	ZINC001172972746	961857496	/nfs/dbraw/zinc/85/74/96/961857496.db2.gz	BUFINGUPMGNJTK-KGLIPLIRSA-N	1	0	371.503	1.835	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C[C@H]1C#N	ZINC001172979427	961863254	/nfs/dbraw/zinc/86/32/54/961863254.db2.gz	YDIZSERSNFLXHW-MNOVXSKESA-N	1	0	364.368	1.546	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCN2CCC[C@@H](O)C2)C[C@H]1C#N	ZINC001172982687	961866856	/nfs/dbraw/zinc/86/68/56/961866856.db2.gz	FRDGOZRISQHHLA-HRCADAONSA-N	1	0	352.479	1.324	20	30		FDEDRO
C[NH+]1CCN(C2CN([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C2)CC1	ZINC001172991368	961901361	/nfs/dbraw/zinc/90/13/61/961901361.db2.gz	XRELCCGTEUJBGY-CVEARBPZSA-N	1	0	363.506	1.210	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CCC(=O)N3CCC[C@H]3C2)C[C@H]1C#N	ZINC001172994710	961902641	/nfs/dbraw/zinc/90/26/41/961902641.db2.gz	YLVFYNPWAUKQCA-PMPSAXMXSA-N	1	0	362.474	1.975	20	30		FDEDRO
CNC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1	ZINC001172994382	961902800	/nfs/dbraw/zinc/90/28/00/961902800.db2.gz	UEPYWHKYCSITKI-KKUMJFAQSA-N	1	0	365.478	1.671	20	30		FDEDRO
C=CCOC(=O)c1c(N)nn(-c2cccc(N3CC[NH+](C)CC3)c2)c1N	ZINC001212711643	961959850	/nfs/dbraw/zinc/95/98/50/961959850.db2.gz	LAFLQXWMJLMDDG-UHFFFAOYSA-N	1	0	356.430	1.131	20	30		FDEDRO
CS(=O)(=O)N(Cc1cnc2n1CC[NH2+]CC2)C1CCC(CC#N)CC1	ZINC001173334479	962007911	/nfs/dbraw/zinc/00/79/11/962007911.db2.gz	XXCVDWOQEMXIOQ-UHFFFAOYSA-N	1	0	365.503	1.263	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+]CC3(N4CCCC4)COC3)CC2)cc1	ZINC001173426399	962136357	/nfs/dbraw/zinc/13/63/57/962136357.db2.gz	XVOWGJOURXYDRO-UHFFFAOYSA-N	1	0	368.481	1.617	20	30		FDEDRO
CSCC[C@H]([NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1)C(N)=O	ZINC001173427561	962138070	/nfs/dbraw/zinc/13/80/70/962138070.db2.gz	FCDPDOAVOYTENT-INIZCTEOSA-N	1	0	360.483	1.359	20	30		FDEDRO
C[N@H+](C1CN(C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1)[C@H]1CCOC1	ZINC001173433706	962154948	/nfs/dbraw/zinc/15/49/48/962154948.db2.gz	VFYCDDPYFQLGGG-IBGZPJMESA-N	1	0	368.481	1.568	20	30		FDEDRO
CN1CCC2(C[NH+](C3CCN(C(=O)c4ccc(C#N)cc4)CC3)C2)C1=O	ZINC001173434544	962156911	/nfs/dbraw/zinc/15/69/11/962156911.db2.gz	BXIXSCRWZZXJCL-UHFFFAOYSA-N	1	0	352.438	1.327	20	30		FDEDRO
CC(=[NH+]NCC(C)(C)S(C)(=O)=O)c1ccc(N2CCOCC2)cc1	ZINC000774483174	962235313	/nfs/dbraw/zinc/23/53/13/962235313.db2.gz	NFKVDJPMUJDDGW-UHFFFAOYSA-N	1	0	353.488	1.660	20	30		FDEDRO
CC1(C#N)CCC([N@@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)CC1	ZINC001173595190	962470404	/nfs/dbraw/zinc/47/04/04/962470404.db2.gz	MNLHIBUJFLJAPG-XRGNVEDSSA-N	1	0	361.486	1.655	20	30		FDEDRO
CC1(C#N)CCC([NH+]2CCC3(CC2)COCCN(S(C)(=O)=O)C3)CC1	ZINC001173594671	962470530	/nfs/dbraw/zinc/47/05/30/962470530.db2.gz	JOEPDELXDAMPNV-UHFFFAOYSA-N	1	0	369.531	1.833	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)NCc1cccc(OCCN2CCOCC2)c1	ZINC001183026936	962742237	/nfs/dbraw/zinc/74/22/37/962742237.db2.gz	DIRKRKJKBMDBKJ-UHFFFAOYSA-N	1	0	373.497	1.666	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)Nc1nc(N)ccc1I	ZINC001183027475	962742339	/nfs/dbraw/zinc/74/23/39/962742339.db2.gz	QFTHSYMEYXKGKP-UHFFFAOYSA-N	1	0	372.210	1.859	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CC[C@@]2(C[C@H]2C(=O)NCc2cccnc2)C1	ZINC001183043201	962754378	/nfs/dbraw/zinc/75/43/78/962754378.db2.gz	MORBRYHHNWVARX-GHTZIAJQSA-N	1	0	368.481	1.588	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21	ZINC001183042917	962755144	/nfs/dbraw/zinc/75/51/44/962755144.db2.gz	HPBOIBAICHBABN-IPMKNSEASA-N	1	0	357.454	1.476	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CCCN(C(=O)Cc2ccccc2)CC1	ZINC001183044895	962758548	/nfs/dbraw/zinc/75/85/48/962758548.db2.gz	PDJPEJQNAUTPDR-UHFFFAOYSA-N	1	0	355.482	1.942	20	30		FDEDRO
Cn1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(C#N)c[nH]2)C3)cc1=O	ZINC001095281934	962761745	/nfs/dbraw/zinc/76/17/45/962761745.db2.gz	KAPQTWLTVBFJQY-VYDXJSESSA-N	1	0	351.410	1.120	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1	ZINC001183361491	962986560	/nfs/dbraw/zinc/98/65/60/962986560.db2.gz	WXPPSNGHEJELRN-KURKYZTESA-N	1	0	363.502	1.561	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1	ZINC001183402408	963013390	/nfs/dbraw/zinc/01/33/90/963013390.db2.gz	HSIHXCHICRSVDF-BZUAXINKSA-N	1	0	359.474	1.128	20	30		FDEDRO
C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1	ZINC001175235992	963103560	/nfs/dbraw/zinc/10/35/60/963103560.db2.gz	HXCKIGQWHNVUBB-FGTMMUONSA-N	1	0	365.518	1.997	20	30		FDEDRO
C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1	ZINC001175236854	963103733	/nfs/dbraw/zinc/10/37/33/963103733.db2.gz	MZBQGEJJAJHXFK-OKZBNKHCSA-N	1	0	365.518	1.997	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1nnc(C)n1CC	ZINC001175360052	963165541	/nfs/dbraw/zinc/16/55/41/963165541.db2.gz	XBXDUQYZOFRAJU-UAGQMJEPSA-N	1	0	363.506	1.962	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1nnc(CC)o1	ZINC001175366684	963171461	/nfs/dbraw/zinc/17/14/61/963171461.db2.gz	VVGZJRZCNMRZID-KFWWJZLASA-N	1	0	350.463	1.988	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC=CC[C@H]2C(F)(F)F)C1	ZINC001183629812	963202704	/nfs/dbraw/zinc/20/27/04/963202704.db2.gz	QWEHXPPVNXNZNV-MGPQQGTHSA-N	1	0	357.376	1.071	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C[C@H]2C)nc1	ZINC000957536986	1013406071	/nfs/dbraw/zinc/40/60/71/1013406071.db2.gz	ZCPFHLFNSXGQHZ-FPDPHYFHSA-N	1	0	366.465	1.126	20	30		FDEDRO
Cc1[nH]c2ccc(C#N)cc2c1CC(=O)N1CC([N@@H+](C)[C@H]2CCOC2)C1	ZINC001183889649	963327811	/nfs/dbraw/zinc/32/78/11/963327811.db2.gz	PAYDQLNEABLLLT-HNNXBMFYSA-N	1	0	352.438	1.822	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F	ZINC001176512810	963459692	/nfs/dbraw/zinc/45/96/92/963459692.db2.gz	XYOSKQXLVYOUCY-VHDGCEQUSA-N	1	0	363.408	1.302	20	30		FDEDRO
C=CCC[C@@H]1CCC[N@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC001176771970	963551093	/nfs/dbraw/zinc/55/10/93/963551093.db2.gz	ZRFFLWYUKBGAID-MRXNPFEDSA-N	1	0	357.458	1.934	20	30		FDEDRO
CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN(c3cccc(C#N)c3)C(=O)O2)C1	ZINC001184381962	963568596	/nfs/dbraw/zinc/56/85/96/963568596.db2.gz	UVPKPARKSJVVEQ-SJORKVTESA-N	1	0	356.426	1.825	20	30		FDEDRO
CC(C)N(C(=O)Cc1ccnc(C#N)c1)c1ncnc2c1CC[NH2+]CC2	ZINC001177667479	963920570	/nfs/dbraw/zinc/92/05/70/963920570.db2.gz	VAPGKSKPWPIQMI-UHFFFAOYSA-N	1	0	350.426	1.416	20	30		FDEDRO
CC(C)(CNC(=O)C(=O)NCc1cc(C#N)ccc1F)[NH+]1CCCCC1	ZINC000774887867	963971569	/nfs/dbraw/zinc/97/15/69/963971569.db2.gz	GFGXYGSQJHNXMM-UHFFFAOYSA-N	1	0	360.433	1.694	20	30		FDEDRO
C#CCC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@]34CCC[C@H]3OCC4)C2)nn1	ZINC001185975498	964244822	/nfs/dbraw/zinc/24/48/22/964244822.db2.gz	YBNULJFIZVLOSK-NSHGMRRFSA-N	1	0	371.485	1.514	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@H]1OCC[C@H]1C(C)C	ZINC001178506405	964260866	/nfs/dbraw/zinc/26/08/66/964260866.db2.gz	SUVRUZOPGKRTID-SQNIBIBYSA-N	1	0	365.518	1.452	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)NC[C@@H]1C[N@H+](CCO)CC[C@@H]1c1ccc(F)cc1	ZINC001186189339	964340245	/nfs/dbraw/zinc/34/02/45/964340245.db2.gz	NEGTZSHRRVYTRH-POAQFYNOSA-N	1	0	364.461	1.667	20	30		FDEDRO
C#CCO[C@H](C)C(=O)NC[C@@H]1C[N@H+](CCO)CC[C@@H]1c1ccc(F)cc1	ZINC001186190269	964340848	/nfs/dbraw/zinc/34/08/48/964340848.db2.gz	ZRLRPOQUVKCBNN-SZVBFZGTSA-N	1	0	362.445	1.378	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@]2(C)CCC(=O)N2)C1	ZINC001186196361	964343918	/nfs/dbraw/zinc/34/39/18/964343918.db2.gz	INVVRKWRVIZMRI-BLIXFSHQSA-N	1	0	371.456	1.649	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CCNC(N)=O)C1	ZINC001186203362	964350016	/nfs/dbraw/zinc/35/00/16/964350016.db2.gz	JHQSOCRUJRYJMH-NVXWUHKLSA-N	1	0	360.433	1.039	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCN2CCCC2=O)[C@@H]1C	ZINC001178724987	964360783	/nfs/dbraw/zinc/36/07/83/964360783.db2.gz	CGZVYPDZNXCXRR-MHORFTMASA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1	ZINC001186235077	964366614	/nfs/dbraw/zinc/36/66/14/964366614.db2.gz	RJFBNKJVKNFFOR-IXDOHACOSA-N	1	0	359.857	1.383	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCCCC)C1	ZINC001186213643	964379507	/nfs/dbraw/zinc/37/95/07/964379507.db2.gz	KLUWECBEHYOTDK-RYRKJORJSA-N	1	0	351.491	1.465	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC12CCOCC2	ZINC001186513992	964539267	/nfs/dbraw/zinc/53/92/67/964539267.db2.gz	VVLBVGOVMZDAHD-FGTMMUONSA-N	1	0	356.470	1.002	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1	ZINC000957567130	1013502171	/nfs/dbraw/zinc/50/21/71/1013502171.db2.gz	IZYOJGNLDNIGDJ-HHXXYDBFSA-N	1	0	353.466	1.586	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2cn(C)nc2C(F)F)C1	ZINC000962322617	1013531789	/nfs/dbraw/zinc/53/17/89/1013531789.db2.gz	WSYZAXFDEZPIBF-AXVKAWJUSA-N	1	0	368.428	1.933	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)Nc2ccccc2)[C@@H]1C	ZINC001179565313	964900032	/nfs/dbraw/zinc/90/00/32/964900032.db2.gz	CGTSMCNPFQGNSK-RANZSIQMSA-N	1	0	357.454	1.795	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1CC[C@H]2CN(CC(=O)NCC(C)C)C[C@H]21	ZINC001187225930	965100873	/nfs/dbraw/zinc/10/08/73/965100873.db2.gz	MZKPHHRQXLEPLW-YESZJQIVSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)N(CC)CC(=C)C)C[C@H]21	ZINC001187280357	965159183	/nfs/dbraw/zinc/15/91/83/965159183.db2.gz	JTKDCYYYRJLZCZ-OKZBNKHCSA-N	1	0	363.502	1.535	20	30		FDEDRO
C[N@@H+]1CCCN(CCNC(=O)C2CCN(c3ccccc3C#N)CC2)CC1	ZINC001180505892	965370568	/nfs/dbraw/zinc/37/05/68/965370568.db2.gz	IUXLJRJCYHEPNU-UHFFFAOYSA-N	1	0	369.513	1.528	20	30		FDEDRO
C=CCSCC(=O)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1	ZINC001180558994	965398755	/nfs/dbraw/zinc/39/87/55/965398755.db2.gz	CBPORDGAAZFRGK-UHFFFAOYSA-N	1	0	358.471	1.619	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]21	ZINC001187479745	965409889	/nfs/dbraw/zinc/40/98/89/965409889.db2.gz	KOTXKSDZGWQJPN-ZWKOTPCHSA-N	1	0	359.470	1.401	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@H+](CC/C=C/c3ccccc3)C[C@H]21	ZINC001187591252	965510186	/nfs/dbraw/zinc/51/01/86/965510186.db2.gz	IOVMAGWKSMKWKE-HZQWVYJSSA-N	1	0	365.477	1.762	20	30		FDEDRO
CCC[NH+]1C[C@@H]2CN(C(=O)[C@H](CC#N)NC(=O)OC(C)(C)C)C[C@H]2C1	ZINC001180781063	965591648	/nfs/dbraw/zinc/59/16/48/965591648.db2.gz	IDVGELMWXOYSTC-KFWWJZLASA-N	1	0	350.463	1.594	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]21	ZINC001187737018	965693828	/nfs/dbraw/zinc/69/38/28/965693828.db2.gz	PLEOEFIKGBDTMC-DLBZAZTESA-N	1	0	352.500	1.147	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]21	ZINC001187756052	965721358	/nfs/dbraw/zinc/72/13/58/965721358.db2.gz	VKPMZBVTRLUDTP-SQGPQFPESA-N	1	0	365.518	1.492	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)C[C@H]21	ZINC001187881748	965880562	/nfs/dbraw/zinc/88/05/62/965880562.db2.gz	CAVMVNMKSXKMBJ-RYQLBKOJSA-N	1	0	370.449	1.529	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21	ZINC001187881897	965881409	/nfs/dbraw/zinc/88/14/09/965881409.db2.gz	GUCQIUCBGZYWOC-IMFGXOCKSA-N	1	0	367.449	1.660	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCCc3csc(C)n3)[C@@H]2C1	ZINC001187945413	965922775	/nfs/dbraw/zinc/92/27/75/965922775.db2.gz	YISUUUNIRWKGBR-FUHWJXTLSA-N	1	0	361.511	1.957	20	30		FDEDRO
CCC(=O)N[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001187990694	965945494	/nfs/dbraw/zinc/94/54/94/965945494.db2.gz	FIOWOZBUSOITSR-FHLIZLRMSA-N	1	0	354.454	1.506	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]21	ZINC001188056779	965963858	/nfs/dbraw/zinc/96/38/58/965963858.db2.gz	AYIQIISUXWLKMI-DLBZAZTESA-N	1	0	368.543	1.946	20	30		FDEDRO
Cc1cccc(C)c1CC(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21	ZINC001188063458	965986272	/nfs/dbraw/zinc/98/62/72/965986272.db2.gz	JXYFWIOCLHKJLN-FUHWJXTLSA-N	1	0	354.454	1.018	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1CC[C@H]2C[N@H+](CCc3cnn(C)c3)C[C@H]21)OCC	ZINC001188095381	966004951	/nfs/dbraw/zinc/00/49/51/966004951.db2.gz	JPTRXJOXLUKXCM-OTWHNJEPSA-N	1	0	360.502	1.867	20	30		FDEDRO
CCCCCCCCOCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21	ZINC001188226531	966137484	/nfs/dbraw/zinc/13/74/84/966137484.db2.gz	OWXRRJULQPGUBP-RCCFBDPRSA-N	1	0	365.518	1.785	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cn4c(n3)CC[C@H](C)C4)[C@@H]2C1	ZINC001188330326	966209654	/nfs/dbraw/zinc/20/96/54/966209654.db2.gz	YUPLRYITFJZWCQ-XYJFISCASA-N	1	0	358.486	1.814	20	30		FDEDRO
C=C[C@H]1C[C@]1(NC(=O)c1ccccc1CN1CC[NH+](C)CC1)C(=O)OCC	ZINC001188364665	966237374	/nfs/dbraw/zinc/23/73/74/966237374.db2.gz	FJCXILUJQPIJFH-LAUBAEHRSA-N	1	0	371.481	1.672	20	30		FDEDRO
C=CC[C@@](C)(NC(=O)c1ccccc1CN1CC[NH+](C)CC1)C(=O)OC	ZINC001188370720	966242876	/nfs/dbraw/zinc/24/28/76/966242876.db2.gz	LBXOWEHIKIWNBM-HXUWFJFHSA-N	1	0	359.470	1.672	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)c3c(C)n[nH]c3C)[C@@H]2C1	ZINC001188382326	966250532	/nfs/dbraw/zinc/25/05/32/966250532.db2.gz	KMHUQQPMGQLWDX-JCGIZDLHSA-N	1	0	358.486	1.703	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cncc(-n4ccnn4)c3)[C@@H]2C1	ZINC001188664852	966463550	/nfs/dbraw/zinc/46/35/50/966463550.db2.gz	SPQVMPRJWOSZMQ-MAUKXSAKSA-N	1	0	352.442	1.775	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC(=O)Nc4ccccc43)[C@@H]2C1	ZINC001188724090	966536246	/nfs/dbraw/zinc/53/62/46/966536246.db2.gz	LUYBBKJMDKLEDC-VDZJLULYSA-N	1	0	367.449	1.295	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)N(C)CC(F)(F)F)[C@@H]2C1	ZINC001188931944	966652589	/nfs/dbraw/zinc/65/25/89/966652589.db2.gz	LUVXRSBJSOGHNS-QLFBSQMISA-N	1	0	363.424	1.604	20	30		FDEDRO
C=C1CCC(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](O)COCCOC)C[C@H]32)CC1	ZINC001189040573	966712338	/nfs/dbraw/zinc/71/23/38/966712338.db2.gz	FKKXMCJDINNNBI-IPMKNSEASA-N	1	0	366.502	1.289	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]32)c1	ZINC001189067854	966731050	/nfs/dbraw/zinc/73/10/50/966731050.db2.gz	AJWWMOYCMMVOLO-NUEKZKHPSA-N	1	0	367.371	1.523	20	30		FDEDRO
COc1ccc(C#N)c(C(=O)N2CCN(CCc3ccncc3)CC2)c1	ZINC001189076866	966751387	/nfs/dbraw/zinc/75/13/87/966751387.db2.gz	XYMOTXKJSZRERD-UHFFFAOYSA-N	1	0	350.422	1.962	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3CN(CC(=O)N[C@@H](C)C4CC4)C[C@H]32)c1	ZINC001189076993	966751625	/nfs/dbraw/zinc/75/16/25/966751625.db2.gz	HJHVDHWLGPTRMP-UCLAIMLFSA-N	1	0	366.465	1.124	20	30		FDEDRO
COc1ccc(C#N)c(C(=O)N(Cc2ccccc2)C2(C[NH3+])COC2)c1	ZINC001189096034	966769634	/nfs/dbraw/zinc/76/96/34/966769634.db2.gz	HSJZCLKDKKTYAY-UHFFFAOYSA-N	1	0	351.406	1.937	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CN(C)CCc3ccccc3)[C@@H]2C1	ZINC001189152009	966797991	/nfs/dbraw/zinc/79/79/91/966797991.db2.gz	XPLHHBKSDRZELJ-LEWJYISDSA-N	1	0	371.525	1.896	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)COc3cccc(OC)c3)[C@@H]2C1	ZINC001189187675	966812335	/nfs/dbraw/zinc/81/23/35/966812335.db2.gz	SEXBFXANHKOURM-QFBILLFUSA-N	1	0	358.438	1.257	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C3CCS(=O)(=O)CC3)[C@@H]2C1	ZINC001189284257	966872010	/nfs/dbraw/zinc/87/20/10/966872010.db2.gz	XIOAXLHKPFQYGJ-BHYGNILZSA-N	1	0	354.516	1.699	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C)nc4n[nH]c(C)c43)[C@@H]2C1	ZINC001189418259	966964507	/nfs/dbraw/zinc/96/45/07/966964507.db2.gz	AZFWRRHWUPTWTI-DOTOQJQBSA-N	1	0	369.469	1.924	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)c3cn4nc(C)cc4[nH]c3=O)[C@@H]2C1	ZINC001189418965	966965213	/nfs/dbraw/zinc/96/52/13/966965213.db2.gz	KQCCSEMGDXOLHQ-GOEBONIOSA-N	1	0	355.442	1.444	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C2(CO)CCN(C(=O)OC(C)(C)C)CC2)C1=O	ZINC000852175358	967053857	/nfs/dbraw/zinc/05/38/57/967053857.db2.gz	VHFBXHUYFVPFMT-AWEZNQCLSA-N	1	0	353.463	1.125	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CNC(=O)c3cscn3)[C@@H]2C1	ZINC001189684154	967156086	/nfs/dbraw/zinc/15/60/86/967156086.db2.gz	XEILAWMBTGJQEW-IJEWVQPXSA-N	1	0	362.499	1.760	20	30		FDEDRO
COCCCOCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001189724063	967180485	/nfs/dbraw/zinc/18/04/85/967180485.db2.gz	WZPFANUGBWTMOH-RBUKOAKNSA-N	1	0	357.454	1.644	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)CCCCC(N)=O)[C@@H]3C2)c1	ZINC001189692550	967186144	/nfs/dbraw/zinc/18/61/44/967186144.db2.gz	RMCYUOFCPUFTQL-ZWKOTPCHSA-N	1	0	354.454	1.637	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCC[C@@H](C2CC[NH+](CC(=O)NCC#N)CC2)C1	ZINC000852292326	967192705	/nfs/dbraw/zinc/19/27/05/967192705.db2.gz	BZJOZWSYAVJKNR-MRXNPFEDSA-N	1	0	364.490	1.985	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(CCc2ccccc2)CC(=O)OCC)CC1	ZINC000110536628	967210131	/nfs/dbraw/zinc/21/01/31/967210131.db2.gz	XQSCCWMLVPTUNI-UHFFFAOYSA-N	1	0	356.466	1.966	20	30		FDEDRO
CN1C(=O)CCc2cc(C[NH2+]CCNC(=O)C3N=CC=CC3=O)ccc21	ZINC000775305167	967234150	/nfs/dbraw/zinc/23/41/50/967234150.db2.gz	LRWXTIPEFTUZCT-VHEBQXMUSA-N	1	0	354.410	1.212	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3ccccc3C(N)=O)[C@@H]2C1	ZINC001189788601	967268772	/nfs/dbraw/zinc/26/87/72/967268772.db2.gz	ZZWSANGDJXHWMI-PKOBYXMFSA-N	1	0	371.481	1.453	20	30		FDEDRO
C#C[C@H](NC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1)[C@H]1CCCO1	ZINC000775329797	967333562	/nfs/dbraw/zinc/33/35/62/967333562.db2.gz	NQZSVVJJIXMSFR-VQTJNVASSA-N	1	0	355.482	1.804	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(NC(C)=O)cc3)[C@@H]2C1	ZINC001189923769	967388062	/nfs/dbraw/zinc/38/80/62/967388062.db2.gz	YXNNNJBGQJHPIG-PKOBYXMFSA-N	1	0	355.438	1.441	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3sc(COC)nc3C)[C@@H]2C1	ZINC001189970276	967426419	/nfs/dbraw/zinc/42/64/19/967426419.db2.gz	XEHGAIJZKBYWTM-LSDHHAIUSA-N	1	0	365.499	1.947	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@@H+]([C@H](CCCC)C(N)=O)C[C@H]21	ZINC001189941710	967442487	/nfs/dbraw/zinc/44/24/87/967442487.db2.gz	BPRLYHWWBUZBOA-XUVXKRRUSA-N	1	0	367.493	1.787	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](O)Cn2cccn2)CCC1	ZINC001110653983	967472967	/nfs/dbraw/zinc/47/29/67/967472967.db2.gz	KKCZVMSSLDSWFE-XDNAFOTISA-N	1	0	356.470	1.159	20	30		FDEDRO
C#CCCN(CCOC)CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1	ZINC000852752522	967578381	/nfs/dbraw/zinc/57/83/81/967578381.db2.gz	BGQFKVTXEMHLSF-UHFFFAOYSA-N	1	0	372.513	1.739	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)COc3ccccc3OC)[C@@H]2C1	ZINC001190133178	967594801	/nfs/dbraw/zinc/59/48/01/967594801.db2.gz	APMHMMSZGQZTMW-DLBZAZTESA-N	1	0	360.454	1.809	20	30		FDEDRO
CCCCNS(=O)(=O)c1cccc(NC(=O)C#CC2CC[NH2+]CC2)c1	ZINC000852805296	967620199	/nfs/dbraw/zinc/62/01/99/967620199.db2.gz	VQQGGUJMQCCKIC-UHFFFAOYSA-N	1	0	363.483	1.707	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@H]([N@H+](C)CC#Cc3ccccc3)C2)C1	ZINC001190221812	967638414	/nfs/dbraw/zinc/63/84/14/967638414.db2.gz	OOQKFCVCBBKDHH-NZSAHSFTSA-N	1	0	353.466	1.486	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NCCCCN1C(=O)c2ccccc2C1=O	ZINC000852839905	967648450	/nfs/dbraw/zinc/64/84/50/967648450.db2.gz	NCTNPPSJBSQQFW-UHFFFAOYSA-N	1	0	353.422	1.182	20	30		FDEDRO
COc1ccc([C@H](CNC(=O)C#CC2CC[NH2+]CC2)N2CCOCC2)cc1	ZINC000852854515	967659746	/nfs/dbraw/zinc/65/97/46/967659746.db2.gz	JBSAKMXBBCHKND-FQEVSTJZSA-N	1	0	371.481	1.188	20	30		FDEDRO
CC[C@@H](NC(=O)C#CC1CC[NH2+]CC1)[C@H]1CN(Cc2ccccc2)CCO1	ZINC000852871882	967677645	/nfs/dbraw/zinc/67/76/45/967677645.db2.gz	DECFWWUSYFOSSS-NHCUHLMSSA-N	1	0	369.509	1.785	20	30		FDEDRO
COc1cc(CN2CC[C@H](NC(=O)C#CC3CC[NH2+]CC3)C2)cc(OC)c1	ZINC000852871904	967678128	/nfs/dbraw/zinc/67/81/28/967678128.db2.gz	DTMNVWYHEHVYGY-SFHVURJKSA-N	1	0	371.481	1.397	20	30		FDEDRO
C=CC[C@]1(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)CCC[NH2+]1	ZINC000852872645	967678920	/nfs/dbraw/zinc/67/89/20/967678920.db2.gz	JLAMVWSKCTYQIS-OAQYLSRUSA-N	1	0	372.513	1.632	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3cccc3)[C@@H]2C1	ZINC001190305101	967719164	/nfs/dbraw/zinc/71/91/64/967719164.db2.gz	GSCNNOFZPCPLLE-OKZBNKHCSA-N	1	0	358.486	1.492	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(C)s3)[C@@H]2C1	ZINC001190323730	967750167	/nfs/dbraw/zinc/75/01/67/967750167.db2.gz	CVJSVZJEYHBZQU-YQQAZPJKSA-N	1	0	361.511	1.822	20	30		FDEDRO
N#Cc1cccc(N2CCOC[C@@]3(CCC[N@H+](C[C@@H]4CCOC4)C3)C2)n1	ZINC001202487572	967809237	/nfs/dbraw/zinc/80/92/37/967809237.db2.gz	LYNUXPADZSIYIN-FXAWDEMLSA-N	1	0	356.470	1.909	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)COc3cc(F)cc(F)c3)[C@@H]2C1	ZINC001190377458	967810555	/nfs/dbraw/zinc/81/05/55/967810555.db2.gz	AYBFEAXVVWQEGF-KBXCAEBGSA-N	1	0	364.392	1.526	20	30		FDEDRO
C#C[C@@H]([NH2+]C[C@@H](O)COc1cccc(C(=O)OCC)c1)C1CCOCC1	ZINC000853115193	967841580	/nfs/dbraw/zinc/84/15/80/967841580.db2.gz	GCQYSHSYERPDQI-IEBWSBKVSA-N	1	0	361.438	1.621	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]21	ZINC001190440875	967852636	/nfs/dbraw/zinc/85/26/36/967852636.db2.gz	LZEJLLXXHSVONW-OWCLPIDISA-N	1	0	351.491	1.415	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3C(=O)Nc4ccccc43)[C@@H]2C1	ZINC001190467165	967894624	/nfs/dbraw/zinc/89/46/24/967894624.db2.gz	OIROXQDPNMYNGQ-KVSKMBFKSA-N	1	0	369.465	1.848	20	30		FDEDRO
C#CCCN(CCOC)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000853236000	967937160	/nfs/dbraw/zinc/93/71/60/967937160.db2.gz	OQEVCBDOGJGHFE-UHFFFAOYSA-N	1	0	372.513	1.486	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3Cc4cccc(C)c4O3)[C@@H]2C1	ZINC001190588478	967970296	/nfs/dbraw/zinc/97/02/96/967970296.db2.gz	XMVZBJBIAYXTPC-IPMKNSEASA-N	1	0	354.450	1.481	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)C1=Cc2cc(Cl)ccc2OC1	ZINC001190838218	968116302	/nfs/dbraw/zinc/11/63/02/968116302.db2.gz	FLQOKIZTASYJNS-UHFFFAOYSA-N	1	0	354.859	1.948	20	30		FDEDRO
C#CCCCOc1cccnc1N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1	ZINC000853672596	968239196	/nfs/dbraw/zinc/23/91/96/968239196.db2.gz	HFIJOEVHKJJUGK-QGZVFWFLSA-N	1	0	356.470	1.665	20	30		FDEDRO
COCC[C@@H](c1ccccc1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1	ZINC001191162368	968306711	/nfs/dbraw/zinc/30/67/11/968306711.db2.gz	SGJKZIZLKWPGQF-IXDOHACOSA-N	1	0	363.483	1.182	20	30		FDEDRO
C=CCN1CC[C@@H]([NH+]2CCC(c3nccc(-c4cnn(C)c4)n3)CC2)C1=O	ZINC000854103848	968598624	/nfs/dbraw/zinc/59/86/24/968598624.db2.gz	LVNPECGIONZCBF-GOSISDBHSA-N	1	0	366.469	1.843	20	30		FDEDRO
N#Cc1cc(C(=O)N2CCC([NH3+])(C(=O)NCc3ccccc3)CC2)ccn1	ZINC001191559804	968613827	/nfs/dbraw/zinc/61/38/27/968613827.db2.gz	WMFCPAGSCGCAAU-UHFFFAOYSA-N	1	0	363.421	1.203	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1O	ZINC001191622074	968627554	/nfs/dbraw/zinc/62/75/54/968627554.db2.gz	BNLKCEYZXTXKCI-GDIGMMSISA-N	1	0	357.454	1.810	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCc2ccc(OC)cc2)C[C@H]1O	ZINC001191622584	968628789	/nfs/dbraw/zinc/62/87/89/968628789.db2.gz	SABPEELPSRQZOG-KFKAGJAMSA-N	1	0	362.470	1.380	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](CCn2ccc3cc(Cl)ccc32)C[C@H]1O	ZINC001191871966	968825682	/nfs/dbraw/zinc/82/56/82/968825682.db2.gz	ADDVHKNXUWFNLJ-XGWLTEMNSA-N	1	0	360.845	1.616	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H](CNc2cnc(C#N)cn2)C2CCCC2)CC[N@@H+]1C	ZINC001110683450	968830734	/nfs/dbraw/zinc/83/07/34/968830734.db2.gz	CUFBBOSVYXTXAK-KBRIMQKVSA-N	1	0	356.474	1.775	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCN1c1ncccn1)C2	ZINC001110687399	968905615	/nfs/dbraw/zinc/90/56/15/968905615.db2.gz	MOBJUCOIKWOHLP-BDXSIMOUSA-N	1	0	371.485	1.370	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1CN([C@H]2CCc3ccc(F)cc32)C[C@H]1O	ZINC001192078184	968923202	/nfs/dbraw/zinc/92/32/02/968923202.db2.gz	BZNGSAUDOOYLQE-CEXWTWQISA-N	1	0	362.445	1.957	20	30		FDEDRO
Cc1ncc(C(=O)NCC(=O)N2CC[NH+](C3CCCCC3)CC2)cc1C#N	ZINC001192301437	969076735	/nfs/dbraw/zinc/07/67/35/969076735.db2.gz	RDUXDYGAECCMBZ-UHFFFAOYSA-N	1	0	369.469	1.468	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CC#Cc2ccccc2)C1	ZINC001192378814	969088047	/nfs/dbraw/zinc/08/80/47/969088047.db2.gz	YRHQNSFNJMJQQR-QRVBRYPASA-N	1	0	353.466	1.295	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@H]1O	ZINC001192524259	969142026	/nfs/dbraw/zinc/14/20/26/969142026.db2.gz	GQUNEZWFOSFEIN-MBOZVWFJSA-N	1	0	355.438	1.223	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2ccc3ccccc3c2)C[C@H]1O	ZINC001192540363	969180221	/nfs/dbraw/zinc/18/02/21/969180221.db2.gz	OQRXMWCPEJXTSV-SBHAEUEKSA-N	1	0	354.450	1.828	20	30		FDEDRO
C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2c2ccccc2)C1	ZINC001192794903	969301383	/nfs/dbraw/zinc/30/13/83/969301383.db2.gz	PVRQWWPXVCIFHZ-NLWGTHIKSA-N	1	0	371.481	1.394	20	30		FDEDRO
CC(C)(C)C#CC(=O)N[C@@H]1C[N@H+](C[C@H](O)CCc2ccccc2)C[C@H]1O	ZINC001192871880	969326764	/nfs/dbraw/zinc/32/67/64/969326764.db2.gz	YBNKJBIKXSTXGD-GUDVDZBRSA-N	1	0	358.482	1.191	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2-c2ccco2)C1	ZINC001192843964	969335359	/nfs/dbraw/zinc/33/53/59/969335359.db2.gz	CXKBBUFQJKAPHM-NUEKZKHPSA-N	1	0	358.442	1.810	20	30		FDEDRO
N#Cc1ccncc1C(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1	ZINC001192967965	969407296	/nfs/dbraw/zinc/40/72/96/969407296.db2.gz	NURPJEUYKPNCJN-UHFFFAOYSA-N	1	0	350.426	1.444	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(C(=O)CC)C2)C1	ZINC001193148511	969515449	/nfs/dbraw/zinc/51/54/49/969515449.db2.gz	XFCOHNHLALXISP-RCCFBDPRSA-N	1	0	365.518	1.543	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3ccn(C)n3)on2)C1	ZINC001193240232	969568481	/nfs/dbraw/zinc/56/84/81/969568481.db2.gz	CQESAXUCXWKSQA-APHBMKBZSA-N	1	0	359.430	1.205	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1CN(CCOC[C@@H]2CCCO2)C[C@H]1O	ZINC001193240960	969569773	/nfs/dbraw/zinc/56/97/73/969569773.db2.gz	NVUGLYYMVQOTTK-RCCFBDPRSA-N	1	0	352.475	1.112	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)Cn2ccc(C)n2)C1	ZINC001193297657	969622457	/nfs/dbraw/zinc/62/24/57/969622457.db2.gz	XDXZVIFGDMTERH-KBAYOESNSA-N	1	0	350.507	1.959	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)C1	ZINC001193437155	969684324	/nfs/dbraw/zinc/68/43/24/969684324.db2.gz	IEPSEIUSVCSPMJ-BRWVUGGUSA-N	1	0	353.507	1.375	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1	ZINC001193422432	969698082	/nfs/dbraw/zinc/69/80/82/969698082.db2.gz	RJWMUEATYSOWPJ-GVDBMIGSSA-N	1	0	365.518	1.541	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)OCC(=O)N3)C1	ZINC001193781455	969847398	/nfs/dbraw/zinc/84/73/98/969847398.db2.gz	MGQOOKAXRXDMAS-APHBMKBZSA-N	1	0	359.426	1.147	20	30		FDEDRO
C=CC[N@@H+](C)CCN(CC)[C@H](C)C(=O)N1CCC[C@H](C(=O)OCC)C1	ZINC001193914176	969922444	/nfs/dbraw/zinc/92/24/44/969922444.db2.gz	QRSZRXGQKFSJDG-SJORKVTESA-N	1	0	353.507	1.616	20	30		FDEDRO
COC(=O)[C@]1(NC(=O)c2cncc(C#N)c2)CC[N@H+](Cc2ccccc2)C1	ZINC001194111576	969997982	/nfs/dbraw/zinc/99/79/82/969997982.db2.gz	AMVODQZKGHBUJD-FQEVSTJZSA-N	1	0	364.405	1.501	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)C#CC3CC3)CCC2(F)F)CC[N@@H+]1C	ZINC000957775216	1013940522	/nfs/dbraw/zinc/94/05/22/1013940522.db2.gz	LTTJEHWGMAKGIU-FVQBIDKESA-N	1	0	367.440	1.340	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H]1O	ZINC001194236202	970067504	/nfs/dbraw/zinc/06/75/04/970067504.db2.gz	WVRWJUDZGFDSOQ-IAGOWNOFSA-N	1	0	362.449	1.089	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2N2CCCC2)C1	ZINC001194443375	970197173	/nfs/dbraw/zinc/19/71/73/970197173.db2.gz	LHMCQLMUNFSDFP-KBAYOESNSA-N	1	0	358.486	1.811	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc(OC)c(F)c2)C1	ZINC001194483149	970210319	/nfs/dbraw/zinc/21/03/19/970210319.db2.gz	CELHFKOIIWQSAN-IAOVAPTHSA-N	1	0	350.434	1.893	20	30		FDEDRO
C=C(C)C(=O)NCCCNC(=O)c1ccc(N2CC[NH+](C)CC2)cc1F	ZINC001194542007	970240295	/nfs/dbraw/zinc/24/02/95/970240295.db2.gz	KYDMVVMMUNQVBS-UHFFFAOYSA-N	1	0	362.449	1.390	20	30		FDEDRO
CN1CCN(c2ccc(C(=O)NC3(C#N)CCOCC3)cc2Cl)CC1	ZINC001194689618	970329444	/nfs/dbraw/zinc/32/94/44/970329444.db2.gz	BYIQQSXYBXRLPR-UHFFFAOYSA-N	1	0	362.861	1.894	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1c(C)nsc1C	ZINC001110461677	970425068	/nfs/dbraw/zinc/42/50/68/970425068.db2.gz	CYUBGXWBNCATLZ-BMFZPTHFSA-N	1	0	360.483	1.121	20	30		FDEDRO
C[NH+](C)C1(CC(=O)N[C@@H]2CN(CC#Cc3ccccc3)C[C@H]2O)CCCC1	ZINC001194997527	970598375	/nfs/dbraw/zinc/59/83/75/970598375.db2.gz	RZJVNFPBDYYSDB-WOJBJXKFSA-N	1	0	369.509	1.464	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N[C@H](C(=O)OC)c1ccccc1Br	ZINC000855698494	970624212	/nfs/dbraw/zinc/62/42/12/970624212.db2.gz	QYRZXZQFPLUGQH-ZDUSSCGKSA-N	1	0	355.232	1.897	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C2CC2)cc1	ZINC001110465644	970661678	/nfs/dbraw/zinc/66/16/78/970661678.db2.gz	MNGHNWZGPUGNMJ-AQNXPRMDSA-N	1	0	365.477	1.925	20	30		FDEDRO
CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)C1	ZINC000775634568	970670369	/nfs/dbraw/zinc/67/03/69/970670369.db2.gz	UTBINHMOCKVFML-GHMKZFAXSA-N	1	0	371.384	1.470	20	30		FDEDRO
C[NH+](C)[C@H]1C[C@H](NS(=O)(=O)Cc2cc(C#N)ccc2F)C12CCC2	ZINC001195096386	970683578	/nfs/dbraw/zinc/68/35/78/970683578.db2.gz	AQPXPUXUOZNKSA-HOTGVXAUSA-N	1	0	351.447	1.990	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2-n2cccn2)C1	ZINC001195181268	970726601	/nfs/dbraw/zinc/72/66/01/970726601.db2.gz	IIOBUUFMYUOPMF-DJIMGWMZSA-N	1	0	355.442	1.397	20	30		FDEDRO
CCCC[C@H](CNc1ccc(C#N)cn1)NC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC001114327353	972669364	/nfs/dbraw/zinc/66/93/64/972669364.db2.gz	QRVPOUPKZZCGHN-DJIMGWMZSA-N	1	0	359.474	1.759	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COc2cc(F)ccc2F)C1	ZINC001198063045	972754365	/nfs/dbraw/zinc/75/43/65/972754365.db2.gz	XLEZHMRHZFIFAJ-APHBMKBZSA-N	1	0	354.397	1.860	20	30		FDEDRO
C=C[C@@H]1C[C@@]1(NC(=O)c1ccncc1N1CCN(C)CC1)C(=O)OCC	ZINC001198158757	972828328	/nfs/dbraw/zinc/82/83/28/972828328.db2.gz	KCDBPWTZHYRQLO-KUHUBIRLSA-N	1	0	358.442	1.071	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2Cc3ccc(Cl)cc32)C1	ZINC001198239519	972927030	/nfs/dbraw/zinc/92/70/30/972927030.db2.gz	NOTBQMCEJCPYQQ-GVDBMIGSSA-N	1	0	350.846	1.344	20	30		FDEDRO
CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)CCOCC1	ZINC001198289802	972955221	/nfs/dbraw/zinc/95/52/21/972955221.db2.gz	TXODNFJNYPDGTQ-CZUORRHYSA-N	1	0	359.426	1.423	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ncc[nH]1)C2	ZINC001110506272	972987396	/nfs/dbraw/zinc/98/73/96/972987396.db2.gz	MJENPMBZFIUXQZ-ZACQAIPSSA-N	1	0	371.485	1.264	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](O)COc1cccc(F)c1	ZINC000863559486	973016930	/nfs/dbraw/zinc/01/69/30/973016930.db2.gz	OOZVOMWWFVWXTL-SJORKVTESA-N	1	0	360.385	1.467	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(c3ccccc3)CCCC2)C1	ZINC001198393110	973106087	/nfs/dbraw/zinc/10/60/87/973106087.db2.gz	RNBPRVTYGWDNJG-RTBURBONSA-N	1	0	358.482	1.862	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(OC)c(Cl)c2)C1	ZINC001198481222	973190917	/nfs/dbraw/zinc/19/09/17/973190917.db2.gz	AINGOPOHHYQJAM-HUUCEWRRSA-N	1	0	354.834	1.326	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC000958029046	1014090237	/nfs/dbraw/zinc/09/02/37/1014090237.db2.gz	DFZYODIXPPCLJU-XJIUQZFPSA-N	1	0	357.458	1.193	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1	ZINC000645168667	1014093098	/nfs/dbraw/zinc/09/30/98/1014093098.db2.gz	PEGMPDLKKHDUSQ-IBGZPJMESA-N	1	0	372.513	1.581	20	30		FDEDRO
C#CCC[NH+]1CCN(CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000794559417	973233628	/nfs/dbraw/zinc/23/36/28/973233628.db2.gz	FKYSQBWRADKFJD-UHFFFAOYSA-N	1	0	350.507	1.180	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(CNC(C)=O)c2)C1	ZINC001198799050	973540861	/nfs/dbraw/zinc/54/08/61/973540861.db2.gz	DLYDPGUTRAGIBK-GDIGMMSISA-N	1	0	359.470	1.452	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)CC(C)(C)C)C1	ZINC001198800154	973544217	/nfs/dbraw/zinc/54/42/17/973544217.db2.gz	ZJAVHAIARNZTSK-HZPDHXFCSA-N	1	0	353.507	1.447	20	30		FDEDRO
C=CC[C@H](C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1O)c1ccccc1	ZINC001198881380	973653930	/nfs/dbraw/zinc/65/39/30/973653930.db2.gz	WDZZBNMQPWZKSV-XUVXKRRUSA-N	1	0	368.481	1.484	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)CCCCC)C1	ZINC001198912297	973672913	/nfs/dbraw/zinc/67/29/13/973672913.db2.gz	XTPXDPTUXJUQFS-ARFHVFGLSA-N	1	0	353.507	1.445	20	30		FDEDRO
C=C[C@@H](C(=O)N[C@@H]1C[N@H+](CCc2cnn(CC)c2)C[C@H]1O)c1ccccc1	ZINC001198956188	973740124	/nfs/dbraw/zinc/74/01/24/973740124.db2.gz	RTFYPWVDOAEFEQ-VAMGGRTRSA-N	1	0	368.481	1.577	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)[nH]c(=O)n3C)C1	ZINC001199095741	973911345	/nfs/dbraw/zinc/91/13/45/973911345.db2.gz	KBFYDULNERSKMI-SRCQZFHVSA-N	1	0	358.442	1.409	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(C)nn(C)c3n2)C1	ZINC001199096252	973911867	/nfs/dbraw/zinc/91/18/67/973911867.db2.gz	NXIRCBRNXFEMHX-CSMYWGQOSA-N	1	0	357.458	1.406	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1O)[NH+]1CCCC1	ZINC001199128089	973929822	/nfs/dbraw/zinc/92/98/22/973929822.db2.gz	NNRZIOBWSWCZKR-VAMGGRTRSA-N	1	0	370.497	1.340	20	30		FDEDRO
N#Cc1c[nH]c2cc(C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)ccc12	ZINC000865159907	974144854	/nfs/dbraw/zinc/14/48/54/974144854.db2.gz	TXIIQIKREBBFJI-UHFFFAOYSA-N	1	0	365.437	1.420	20	30		FDEDRO
CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)NCCC#N)cc1	ZINC000794819408	974146367	/nfs/dbraw/zinc/14/63/67/974146367.db2.gz	VZPKUABMZCZBHQ-AWEZNQCLSA-N	1	0	366.487	1.398	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCc3ccccc32)C[C@H]1O	ZINC001199307769	974146760	/nfs/dbraw/zinc/14/67/60/974146760.db2.gz	JUKMTRGCUGWLSH-MISYRCLQSA-N	1	0	358.482	1.861	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1	ZINC000120559671	974288598	/nfs/dbraw/zinc/28/85/98/974288598.db2.gz	VLRVXHYLPJDKSQ-YJBOKZPZSA-N	1	0	355.438	1.580	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]CC1(N2CCOCC2)CCOCC1	ZINC000865599708	974380870	/nfs/dbraw/zinc/38/08/70/974380870.db2.gz	QJVRGXNBDIMXNB-UHFFFAOYSA-N	1	0	358.486	1.595	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(F)c(C#N)cc2[N+](=O)[O-])CC1	ZINC000865618953	974386938	/nfs/dbraw/zinc/38/69/38/974386938.db2.gz	LUMCLCDZNIORCN-AWEZNQCLSA-N	1	0	361.377	1.348	20	30		FDEDRO
C=CCOc1c(Br)cc(C[NH2+]C[C@@H](O)[C@@H](C)O)cc1OC	ZINC000865740705	974452556	/nfs/dbraw/zinc/45/25/56/974452556.db2.gz	HYKPWBJLRKOHQH-ZWNOBZJWSA-N	1	0	360.248	1.854	20	30		FDEDRO
COCC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccncc2)CCCO1	ZINC001200538310	974812658	/nfs/dbraw/zinc/81/26/58/974812658.db2.gz	YQNYSTRWMHNPNA-GBESFXJTSA-N	1	0	357.454	1.042	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2OCC[C@H]2C(C)C)CC1	ZINC001200628851	974847752	/nfs/dbraw/zinc/84/77/52/974847752.db2.gz	NIDQCMUDACDAJT-PVAVHDDUSA-N	1	0	351.491	1.319	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)C[C@@H]2C[C@H]2c2ccccc2)CC1	ZINC001200606980	974859718	/nfs/dbraw/zinc/85/97/18/974859718.db2.gz	ZUXPJADMCSMLMP-QRFRQXIXSA-N	1	0	367.493	1.899	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCCC	ZINC001110560114	974952738	/nfs/dbraw/zinc/95/27/38/974952738.db2.gz	YOCZHHYTABUNBJ-KURKYZTESA-N	1	0	365.518	1.997	20	30		FDEDRO
C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1	ZINC001201259861	974992390	/nfs/dbraw/zinc/99/23/90/974992390.db2.gz	HHOZRTQPFBJSBK-KGLIPLIRSA-N	1	0	350.381	1.880	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N2CCC(C)(N3CCOCC3)CC2)cc1C#N	ZINC001201310481	975003603	/nfs/dbraw/zinc/00/36/03/975003603.db2.gz	RISOUXFZXHUITN-UHFFFAOYSA-N	1	0	363.483	1.742	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1	ZINC000867386282	975007939	/nfs/dbraw/zinc/00/79/39/975007939.db2.gz	ILBXFFYQEUWFPS-HKUYNNGSSA-N	1	0	371.481	1.762	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CC#Cc2ccccc2)C1	ZINC001201437939	975060286	/nfs/dbraw/zinc/06/02/86/975060286.db2.gz	IYAFZXIZMFDVBB-NJYVYQBISA-N	1	0	368.477	1.836	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)c1ccncc1)C2	ZINC001110584035	975330608	/nfs/dbraw/zinc/33/06/08/975330608.db2.gz	VPEIPBUABRHBAE-DDBAPUKQSA-N	1	0	356.470	1.888	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NCCC1CC[NH2+]CC1	ZINC000652722914	1014259217	/nfs/dbraw/zinc/25/92/17/1014259217.db2.gz	CZJXEXKXUXOELB-UHFFFAOYSA-N	1	0	359.470	1.716	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1	ZINC000652729520	1014282963	/nfs/dbraw/zinc/28/29/63/1014282963.db2.gz	JAGUCFUYIVSXRG-RCCFBDPRSA-N	1	0	365.518	1.936	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)Cc2cnc[nH]2)CC1	ZINC000967658475	1014286921	/nfs/dbraw/zinc/28/69/21/1014286921.db2.gz	FQEQESAHGZMATJ-ZACQAIPSSA-N	1	0	360.458	1.383	20	30		FDEDRO
C#C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(OC)c2)C1	ZINC000847564453	975835182	/nfs/dbraw/zinc/83/51/82/975835182.db2.gz	ZGAPXZMAQMDASQ-OAHLLOKOSA-N	1	0	373.453	1.446	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12	ZINC000847606384	975901769	/nfs/dbraw/zinc/90/17/69/975901769.db2.gz	CIJVIGJXTYMZKA-ZBFHGGJFSA-N	1	0	374.416	1.800	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)Cc1c(C)nc2c(c(=O)[nH]n2C)c1C	ZINC000121618358	976172640	/nfs/dbraw/zinc/17/26/40/976172640.db2.gz	MMQKTDBLQRSRPL-CYBMUJFWSA-N	1	0	372.469	1.698	20	30		FDEDRO
COC(=O)[C@H]1[C@@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@@H]21	ZINC000794971842	976414686	/nfs/dbraw/zinc/41/46/86/976414686.db2.gz	LFXTVTLZSHTAAC-VIKVFOODSA-N	1	0	359.451	1.788	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCCOc1ccc2c(c1)OCO2	ZINC000867948402	977128306	/nfs/dbraw/zinc/12/83/06/977128306.db2.gz	VGCVEIDVKBAVAF-LJQANCHMSA-N	1	0	365.389	1.669	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCc1cccc(C(=O)NC2CC2)c1	ZINC000867949265	977130155	/nfs/dbraw/zinc/13/01/55/977130155.db2.gz	SSKGPZQAUZBAQX-FQEVSTJZSA-N	1	0	374.444	1.954	20	30		FDEDRO
CNC(=O)c1ccc(CN(C)C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)cc1	ZINC000867955060	977136404	/nfs/dbraw/zinc/13/64/04/977136404.db2.gz	WODRIQHEKMNHBK-IBGZPJMESA-N	1	0	362.433	1.763	20	30		FDEDRO
COC(=O)[C@@H](NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)c1cccs1	ZINC000867957710	977141940	/nfs/dbraw/zinc/14/19/40/977141940.db2.gz	WCOSLMIOCTUNNH-CVEARBPZSA-N	1	0	355.419	1.837	20	30		FDEDRO
Cn1cc(N2CCC[C@H](NC(=O)[C@H]3[NH2+]CCc4cc(C#N)ccc43)C2)cn1	ZINC000867963226	977147919	/nfs/dbraw/zinc/14/79/19/977147919.db2.gz	UUPDAZRNXUPNOC-LPHOPBHVSA-N	1	0	364.453	1.264	20	30		FDEDRO
COC(=O)c1ccc(CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)c(F)c1	ZINC000867985529	977170801	/nfs/dbraw/zinc/17/08/01/977170801.db2.gz	GSLGVSITPDQCNQ-GOSISDBHSA-N	1	0	367.380	1.987	20	30		FDEDRO
CCCN(CCNC(NCCN1CCOCC1)=[NH+]C)C(=O)OC(C)(C)C	ZINC000848991069	977286703	/nfs/dbraw/zinc/28/67/03/977286703.db2.gz	ZNFNNNUAJFLSOL-UHFFFAOYSA-N	1	0	371.526	1.131	20	30		FDEDRO
CC(C)(C)NC(=O)CCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000849087293	977307779	/nfs/dbraw/zinc/30/77/79/977307779.db2.gz	VIFPYVFSRSTZTA-ZDUSSCGKSA-N	1	0	367.494	1.172	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)NC1CC[NH+](C[C@H]3CCOC3)CC1)C2	ZINC000868275132	977432014	/nfs/dbraw/zinc/43/20/14/977432014.db2.gz	OCOWAJZGWJTPFZ-OXQOHEQNSA-N	1	0	368.481	1.826	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2ccc(C#N)cc2)CC1	ZINC000868281907	977441205	/nfs/dbraw/zinc/44/12/05/977441205.db2.gz	WIRQFPIPUZKGDJ-LJQANCHMSA-N	1	0	371.485	1.501	20	30		FDEDRO
CN(C)C(=O)CN1CCC(NC(=O)N(C)CCc2cccc(C#N)c2)CC1	ZINC000868286690	977447843	/nfs/dbraw/zinc/44/78/43/977447843.db2.gz	ZHZIELBLNRIEKG-UHFFFAOYSA-N	1	0	371.485	1.295	20	30		FDEDRO
C=CC[C@@H](Cc1ccccc1)NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C	ZINC000645465744	1014397085	/nfs/dbraw/zinc/39/70/85/1014397085.db2.gz	YBHJFVVPQLSJSH-WMZOPIPTSA-N	1	0	358.486	1.935	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1	ZINC000868311955	977490881	/nfs/dbraw/zinc/49/08/81/977490881.db2.gz	HPRJZZNRWYQMQS-FQEVSTJZSA-N	1	0	357.454	1.861	20	30		FDEDRO
Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cccc(OCC#N)c2)cn1	ZINC000849500636	977694412	/nfs/dbraw/zinc/69/44/12/977694412.db2.gz	IEFVPSHMEAVIPZ-ZWKOTPCHSA-N	1	0	353.426	1.996	20	30		FDEDRO
Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2ccc(OCC#N)cc2)cn1	ZINC000849515654	977709534	/nfs/dbraw/zinc/70/95/34/977709534.db2.gz	HALMGZDPEAAFSG-RBUKOAKNSA-N	1	0	367.453	1.674	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@]2(C#N)CCSC2)[C@@H](c2cnn(C)c2)C1	ZINC000849517623	977711054	/nfs/dbraw/zinc/71/10/54/977711054.db2.gz	MAIKHMTZWCGQDJ-LZLYRXPVSA-N	1	0	361.515	1.749	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(CC)c(CC)n[nH]c1=O)C2	ZINC001110612837	977723588	/nfs/dbraw/zinc/72/35/88/977723588.db2.gz	VAPGAGKWCBTUQZ-XYPHTWIQSA-N	1	0	374.485	1.845	20	30		FDEDRO
C=CCC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)C(=O)OCC	ZINC000849602826	977827999	/nfs/dbraw/zinc/82/79/99/977827999.db2.gz	RBKOTGLTNUFESZ-IKGGRYGDSA-N	1	0	362.474	1.470	20	30		FDEDRO
N#Cc1cc2c(n(C[C@@H]3CCC(=O)O3)c1=O)CC[N@H+](Cc1ccccc1)C2	ZINC000850003056	978097268	/nfs/dbraw/zinc/09/72/68/978097268.db2.gz	OZKOKKJDCICJCV-SFHVURJKSA-N	1	0	363.417	1.984	20	30		FDEDRO
O=C(NCC[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1)C1N=CC=CC1=O	ZINC000850137848	978199707	/nfs/dbraw/zinc/19/97/07/978199707.db2.gz	XOXVZQOIVWJZFZ-RUNIHZNKSA-N	1	0	357.410	1.470	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(OCC#N)c2)C1	ZINC000850505083	978405266	/nfs/dbraw/zinc/40/52/66/978405266.db2.gz	MGWIARCAXPOYTA-AWEZNQCLSA-N	1	0	358.442	1.764	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)C1CCOCC1	ZINC000850687740	978611066	/nfs/dbraw/zinc/61/10/66/978611066.db2.gz	GFYJMOPTVMTBLL-GOSISDBHSA-N	1	0	357.454	1.274	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1	ZINC000850728645	978652005	/nfs/dbraw/zinc/65/20/05/978652005.db2.gz	ALMFOXCINKFTLE-SFHVURJKSA-N	1	0	373.453	1.206	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)nc1	ZINC000851654474	978985549	/nfs/dbraw/zinc/98/55/49/978985549.db2.gz	BWMJILRHQUOXDG-QZTJIDSGSA-N	1	0	364.453	1.810	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1	ZINC000851659579	978987221	/nfs/dbraw/zinc/98/72/21/978987221.db2.gz	WJPSHMWFTVXTNU-HZPDHXFCSA-N	1	0	351.472	1.032	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(-c3cccnc3)nn1)C2	ZINC001110634787	978992117	/nfs/dbraw/zinc/99/21/17/978992117.db2.gz	YDLWZXOTOOOHCP-KYJSFNMBSA-N	1	0	368.441	1.200	20	30		FDEDRO
N#Cc1ccccc1N1CC[NH+](C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000851745698	979026109	/nfs/dbraw/zinc/02/61/09/979026109.db2.gz	LPXYVMQSFRHVIL-HXUWFJFHSA-N	1	0	350.422	1.053	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)CN1CC[NH+](CCCOC(C)(C)C)CC1	ZINC000880411583	979170513	/nfs/dbraw/zinc/17/05/13/979170513.db2.gz	HZRXRTJEJQENSH-KRWDZBQOSA-N	1	0	352.523	1.817	20	30		FDEDRO
C#CCC1(O)CC[NH+](C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000880482408	979223260	/nfs/dbraw/zinc/22/32/60/979223260.db2.gz	HVTKMTXPAHBJMO-IBGZPJMESA-N	1	0	352.475	1.599	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)cc1	ZINC000851974143	979234135	/nfs/dbraw/zinc/23/41/35/979234135.db2.gz	SUNPZSFNYXELBD-IEBWSBKVSA-N	1	0	370.453	1.661	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@H+]2Cc3ccccc3N3CCC[C@@H]3C2)CC1	ZINC000880551475	979293486	/nfs/dbraw/zinc/29/34/86/979293486.db2.gz	OOLCZMXNWAHRKU-LJQANCHMSA-N	1	0	352.482	1.248	20	30		FDEDRO
N#Cc1ccsc1NC(=O)CCN1CCN(c2cc(F)ncn2)CC1	ZINC000852129123	979373009	/nfs/dbraw/zinc/37/30/09/979373009.db2.gz	LKDYHUHCYYNDNC-UHFFFAOYSA-N	1	0	360.418	1.700	20	30		FDEDRO
CC[NH+]1CCN(CC(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)CC1	ZINC000880657283	979376959	/nfs/dbraw/zinc/37/69/59/979376959.db2.gz	JEJYWCLTPNEASV-LJQANCHMSA-N	1	0	355.486	1.233	20	30		FDEDRO
N#CCOc1ccc(CC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)cc1	ZINC000881472831	979966297	/nfs/dbraw/zinc/96/62/97/979966297.db2.gz	VZOLESSQABXMTE-SFHVURJKSA-N	1	0	357.454	1.891	20	30		FDEDRO
C=CCCc1ccc(S(=O)(=O)NC[C@H](C)N2CC[NH+](C)CC2)cc1	ZINC000881928194	980297857	/nfs/dbraw/zinc/29/78/57/980297857.db2.gz	IIFBBBGQXYGWGM-INIZCTEOSA-N	1	0	351.516	1.719	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2)n1cnc(C#N)n1	ZINC000409928637	1014673603	/nfs/dbraw/zinc/67/36/03/1014673603.db2.gz	ACUWKBKXBZGVGB-ZDUSSCGKSA-N	1	0	368.441	1.478	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NCCCN2CCC[N@@H+](C)CC2)c(C#N)c1	ZINC000882523819	980699633	/nfs/dbraw/zinc/69/96/33/980699633.db2.gz	BVMZNRWPIITWET-UHFFFAOYSA-N	1	0	350.488	1.173	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)c2cc3c[nH]ccc-3n2)C1	ZINC000968118697	1014676211	/nfs/dbraw/zinc/67/62/11/1014676211.db2.gz	JALAQQIDHSWDJI-QAPCUYQASA-N	1	0	368.437	1.827	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNS(=O)(=O)CC(C)(C)CC#N)cc2)CC1	ZINC000882662356	980802237	/nfs/dbraw/zinc/80/22/37/980802237.db2.gz	FOYFNJDWJBETQA-UHFFFAOYSA-N	1	0	364.515	1.798	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3nc(C)[nH]c3C1)C2	ZINC001110740842	981882326	/nfs/dbraw/zinc/88/23/26/981882326.db2.gz	GTOVSXFWKVOOKR-RGCFKVTRSA-N	1	0	358.486	1.747	20	30		FDEDRO
C#CC[C@@H](CO)[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC	ZINC000883125184	981965342	/nfs/dbraw/zinc/96/53/42/981965342.db2.gz	BEBLLTQYLKZKJK-RISCZKNCSA-N	1	0	369.259	1.436	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1	ZINC000883142655	981977498	/nfs/dbraw/zinc/97/74/98/981977498.db2.gz	QAXUGHJBEUFEBP-UHFFFAOYSA-N	1	0	365.543	1.908	20	30		FDEDRO
C=CCC[C@H]([NH2+]C[C@]1(O)CCS(=O)(=O)C1)[C@@H]1Cc2ccccc2O1	ZINC000883226269	982021524	/nfs/dbraw/zinc/02/15/24/982021524.db2.gz	VHXFDRVXBIEHBE-RYQLBKOJSA-N	1	0	351.468	1.464	20	30		FDEDRO
C=C(C)C[C@@H](CO)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000883251445	982033029	/nfs/dbraw/zinc/03/30/29/982033029.db2.gz	OXKQXVANPPHRBG-KRWDZBQOSA-N	1	0	361.490	1.220	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CCN1Cc1ccc(OC)cc1	ZINC000858493770	982077835	/nfs/dbraw/zinc/07/78/35/982077835.db2.gz	GVGWIDOJHGNNCI-GOSISDBHSA-N	1	0	358.486	1.524	20	30		FDEDRO
C=CCCc1ccc(S(=O)(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1	ZINC000883467858	982171679	/nfs/dbraw/zinc/17/16/79/982171679.db2.gz	AZFSTMIJJOMFEV-ZWKOTPCHSA-N	1	0	360.483	1.654	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)NC(CC)CC)CC1	ZINC001202559928	982560328	/nfs/dbraw/zinc/56/03/28/982560328.db2.gz	URECJIRKYIESLT-SJORKVTESA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)C(=O)NCCC(C)C)CC1	ZINC001202560052	982560428	/nfs/dbraw/zinc/56/04/28/982560428.db2.gz	ZMSKNQSCHGEICA-JQHSSLGASA-N	1	0	365.518	1.709	20	30		FDEDRO
N#CC1(C[C@H](O)CN2CCOC[C@@H]2C[C@H](O)c2ccccc2)CCOCC1	ZINC000859165280	982589916	/nfs/dbraw/zinc/58/99/16/982589916.db2.gz	GLVJCASKUOUXGG-UFYCRDLUSA-N	1	0	374.481	1.882	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1	ZINC001202588401	982640405	/nfs/dbraw/zinc/64/04/05/982640405.db2.gz	GYVATLZDURHQTM-KURKYZTESA-N	1	0	361.486	1.335	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCC(NC(C)=O)CC1)C2	ZINC001111508978	982653193	/nfs/dbraw/zinc/65/31/93/982653193.db2.gz	NZBJXMZUIYLZMP-JIARVOFWSA-N	1	0	363.502	1.605	20	30		FDEDRO
Cc1nc(CN2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CC2)cs1	ZINC000884007120	982697910	/nfs/dbraw/zinc/69/79/10/982697910.db2.gz	PSUUIWTUKWXURN-SWKXRBFHSA-N	1	0	359.499	1.235	20	30		FDEDRO
N#Cc1c2ccccc2[nH]c1C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000884017409	982703157	/nfs/dbraw/zinc/70/31/57/982703157.db2.gz	WHCTZFAHQWZTNZ-AWEZNQCLSA-N	1	0	365.437	1.324	20	30		FDEDRO
CCN(CC(=O)Nc1cccc(OC)c1)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884052430	982768873	/nfs/dbraw/zinc/76/88/73/982768873.db2.gz	OJWONBDOKKOQDE-CHWWFWEZSA-N	1	0	370.453	1.622	20	30		FDEDRO
CCc1ccccc1NC(=O)CN(C)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884054689	982775017	/nfs/dbraw/zinc/77/50/17/982775017.db2.gz	NCTSSRQRFYGATP-NGEICVOHSA-N	1	0	354.454	1.785	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCN(C(=O)NC3CCCCC3)CC1)C2	ZINC000884085970	982842914	/nfs/dbraw/zinc/84/29/14/982842914.db2.gz	JAEGDYHAPUGQAU-NGEICVOHSA-N	1	0	373.501	1.312	20	30		FDEDRO
COC(=O)C[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccc(F)cc1	ZINC000884105719	982874778	/nfs/dbraw/zinc/87/47/78/982874778.db2.gz	WIJFGXWVOGRODL-PPKXHPOVSA-N	1	0	359.401	1.685	20	30		FDEDRO
CCCCCC(=O)NC1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1	ZINC000884116088	982893073	/nfs/dbraw/zinc/89/30/73/982893073.db2.gz	LXMXVZJDFOLVCU-NGEICVOHSA-N	1	0	360.502	1.813	20	30		FDEDRO
COC(=O)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccc(C)cc1	ZINC000884130579	982913169	/nfs/dbraw/zinc/91/31/69/982913169.db2.gz	NYFVBHFKKXIZTK-MUZJZNNISA-N	1	0	355.438	1.507	20	30		FDEDRO
CCN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[C@@H]1CCN(c2ccccc2)C1=O	ZINC000884135238	982918101	/nfs/dbraw/zinc/91/81/01/982918101.db2.gz	FJBPLRZQPRRJGT-QVFKTBPPSA-N	1	0	366.465	1.780	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCN(c3ccc(Cl)cc3)C1=O)C2	ZINC000884149258	982928531	/nfs/dbraw/zinc/92/85/31/982928531.db2.gz	GPGWSRJTUBPLOK-VSELKDKVSA-N	1	0	372.856	1.701	20	30		FDEDRO
Cc1ccc(N2CCC[C@@H](NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)C2=O)cc1	ZINC000884156892	982933884	/nfs/dbraw/zinc/93/38/84/982933884.db2.gz	OTVUNBTYGLPZKY-WJWCEJSTSA-N	1	0	366.465	1.746	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCN(c3cccc(Cl)c3)C1=O)C2	ZINC000884165226	982941504	/nfs/dbraw/zinc/94/15/04/982941504.db2.gz	CGRZZMRSHHEHNI-HCZHPHPMSA-N	1	0	372.856	1.701	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@@H](c1cccs1)N1CCOCC1)C2	ZINC000884177028	982949269	/nfs/dbraw/zinc/94/92/69/982949269.db2.gz	YKWFBPBWHPDDLU-BHEGOAEISA-N	1	0	374.510	1.377	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@H](c1cccs1)N1CCOCC1)C2	ZINC000884177029	982949560	/nfs/dbraw/zinc/94/95/60/982949560.db2.gz	YKWFBPBWHPDDLU-BWRBCVJASA-N	1	0	374.510	1.377	20	30		FDEDRO
Cn1ccnc1[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccccc1F	ZINC000884181269	982956563	/nfs/dbraw/zinc/95/65/63/982956563.db2.gz	AGKSXAQQNBLZJE-YQNDIWKJSA-N	1	0	367.428	1.904	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(N3CCSCC3)cc1)C2	ZINC000884194554	982971042	/nfs/dbraw/zinc/97/10/42/982971042.db2.gz	MEOLWBQCJQAJSW-GNZRSQJKSA-N	1	0	370.522	1.995	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1	ZINC000884202960	982978627	/nfs/dbraw/zinc/97/86/27/982978627.db2.gz	MGAIDGRVLKNUKM-ZBFHGGJFSA-N	1	0	365.499	1.523	20	30		FDEDRO
COC(=O)C1(C#N)CCN(C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC1	ZINC000859751182	982998742	/nfs/dbraw/zinc/99/87/42/982998742.db2.gz	DAQJSEVOGAWZMQ-UHFFFAOYSA-N	1	0	358.398	1.479	20	30		FDEDRO
COCCS(=O)(=O)CCC[NH2+]C1(c2ccc(C#N)cc2)CCOCC1	ZINC000859881705	983060131	/nfs/dbraw/zinc/06/01/31/983060131.db2.gz	IMCVIRHZHDRMRT-UHFFFAOYSA-N	1	0	366.483	1.605	20	30		FDEDRO
C[C@H]1C[C@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CC(=O)N1	ZINC000332517148	983066880	/nfs/dbraw/zinc/06/68/80/983066880.db2.gz	HYDYNEKGQKMTNM-RDJZCZTQSA-N	1	0	354.454	1.576	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N1CCC(CCC[NH+]2CCCC2)CC1	ZINC000884319511	983080089	/nfs/dbraw/zinc/08/00/89/983080089.db2.gz	WQYGRTMGBAHODD-KRWDZBQOSA-N	1	0	351.491	1.548	20	30		FDEDRO
CC(=O)N1CC[C@@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c2ccccc21	ZINC000884326552	983087796	/nfs/dbraw/zinc/08/77/96/983087796.db2.gz	WKKMUUGEZTZPMF-WAGVIYRNSA-N	1	0	352.438	1.740	20	30		FDEDRO
CN(C(=O)[C@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1)c1ccccc1	ZINC000884335302	983094377	/nfs/dbraw/zinc/09/43/77/983094377.db2.gz	OYWAGTPBZHYYMW-CLIJALBYSA-N	1	0	366.465	1.637	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCCNC(N)=O)C3)cc1	ZINC001110781418	983144399	/nfs/dbraw/zinc/14/43/99/983144399.db2.gz	QIFNJASPBSPTMZ-KURKYZTESA-N	1	0	369.469	1.618	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)CC1	ZINC000884459229	983167773	/nfs/dbraw/zinc/16/77/73/983167773.db2.gz	YWPRNFQYJHKYRP-UHFFFAOYSA-N	1	0	365.518	1.990	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2)c1ccc(C#N)cc1	ZINC000884541662	983232824	/nfs/dbraw/zinc/23/28/24/983232824.db2.gz	KPKOCFZSHKWWDB-AWEZNQCLSA-N	1	0	362.433	1.698	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1COc3ccccc3C1)C2	ZINC001110785326	983440561	/nfs/dbraw/zinc/44/05/61/983440561.db2.gz	PLOZIZHZEQIUIF-MANSERQUSA-N	1	0	354.450	1.609	20	30		FDEDRO
CCOC(=O)Nc1ccc(NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1C#N	ZINC000860809402	983522782	/nfs/dbraw/zinc/52/27/82/983522782.db2.gz	QIDOPHKGHIEUKV-CQSZACIVSA-N	1	0	361.402	1.315	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C(F)F)nn1C)C2	ZINC001110801345	983726101	/nfs/dbraw/zinc/72/61/01/983726101.db2.gz	DEGIZJWQBQTFGH-BZPMIXESSA-N	1	0	354.401	1.895	20	30		FDEDRO
N#Cc1cccnc1NCCNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1	ZINC000861565444	983780435	/nfs/dbraw/zinc/78/04/35/983780435.db2.gz	UEXYQTQSVQITDK-STQMWFEESA-N	1	0	370.379	1.534	20	30		FDEDRO
C#C[C@H](NC(=O)NCCOCC[NH2+]C)c1ccc(Br)cc1	ZINC000861676732	983818273	/nfs/dbraw/zinc/81/82/73/983818273.db2.gz	VWVABPTUOXNBSF-AWEZNQCLSA-N	1	0	354.248	1.659	20	30		FDEDRO
CC(C)(C(=O)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1)c1ccc(C#N)cc1	ZINC000861927355	983995321	/nfs/dbraw/zinc/99/53/21/983995321.db2.gz	BQDCXSMGBPCNJF-GOSISDBHSA-N	1	0	368.481	1.649	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C	ZINC000653334873	1015034997	/nfs/dbraw/zinc/03/49/97/1015034997.db2.gz	IVDDQOACPGPIII-ULQDDVLXSA-N	1	0	358.486	1.982	20	30		FDEDRO
CN(CCc1cccc(C#N)c1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1	ZINC000868783192	984600859	/nfs/dbraw/zinc/60/08/59/984600859.db2.gz	JBPMSDKJVNALQR-IBGZPJMESA-N	1	0	356.470	1.995	20	30		FDEDRO
C=CCCC[C@@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccccc1	ZINC000884723615	984729721	/nfs/dbraw/zinc/72/97/21/984729721.db2.gz	RPIYXJNUSDFBLW-ZWKOTPCHSA-N	1	0	359.470	1.695	20	30		FDEDRO
N#C[C@]1(C(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)CCCOC1	ZINC000869141793	984908545	/nfs/dbraw/zinc/90/85/45/984908545.db2.gz	DPZRRNPQMHMRPZ-QKNQBKEWSA-N	1	0	369.465	1.809	20	30		FDEDRO
CC[C@@]1(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCNC1=O	ZINC000869164009	984919529	/nfs/dbraw/zinc/91/95/29/984919529.db2.gz	DUEXRJVGFGQJTR-HXUWFJFHSA-N	1	0	354.454	1.555	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1Cc2ccc(C#N)cc2C1	ZINC000869190276	984934136	/nfs/dbraw/zinc/93/41/36/984934136.db2.gz	HOGRDTNVSAMQIV-KDOFPFPSSA-N	1	0	356.470	1.512	20	30		FDEDRO
C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000869195518	984938260	/nfs/dbraw/zinc/93/82/60/984938260.db2.gz	VLTKDXJLCHSKCI-MJBXVCDLSA-N	1	0	373.881	1.300	20	30		FDEDRO
N#CCCc1ccc(S(=O)(=O)NCCCC[N@H+]2CCC[C@H]2CO)cc1	ZINC000885024682	985105671	/nfs/dbraw/zinc/10/56/71/985105671.db2.gz	DTPNWUPBXBXFCA-KRWDZBQOSA-N	1	0	365.499	1.658	20	30		FDEDRO
C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(CCC#N)cc1	ZINC000885112286	985186025	/nfs/dbraw/zinc/18/60/25/985186025.db2.gz	MIIDFTQCHWCXAJ-MRXNPFEDSA-N	1	0	364.515	1.447	20	30		FDEDRO
Cc1nc[nH]c(=O)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1	ZINC001095897581	1015109397	/nfs/dbraw/zinc/10/93/97/1015109397.db2.gz	TWOOYYIQZGWHRR-IKGGRYGDSA-N	1	0	363.421	1.898	20	30		FDEDRO
CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1	ZINC000869777850	985326924	/nfs/dbraw/zinc/32/69/24/985326924.db2.gz	PMEMEPXCVLKQPO-LBPRGKRZSA-N	1	0	356.348	1.547	20	30		FDEDRO
CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C1	ZINC000869781983	985338978	/nfs/dbraw/zinc/33/89/78/985338978.db2.gz	FWQMTRRKVKBEAS-FUHWJXTLSA-N	1	0	356.470	1.488	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)cc21	ZINC000885573543	985479376	/nfs/dbraw/zinc/47/93/76/985479376.db2.gz	JFTHQEASPROYAZ-OAHLLOKOSA-N	1	0	355.442	1.571	20	30		FDEDRO
C[C@H]1C[N@H+](C[C@H](O)CC2(C#N)CCC2)CCN1C[C@@H](O)CC1(C#N)CCC1	ZINC000886066789	985858292	/nfs/dbraw/zinc/85/82/92/985858292.db2.gz	CPQXUXOOKKFUMI-OTWHNJEPSA-N	1	0	374.529	1.882	20	30		FDEDRO
C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1)n1cncn1	ZINC001095333730	985897632	/nfs/dbraw/zinc/89/76/32/985897632.db2.gz	IIFIPMUMHMBJTN-ZSGPHXLJSA-N	1	0	350.426	1.632	20	30		FDEDRO
C#CCN1CCC[C@@H]([NH2+]Cc2ccccc2OCC(=O)NCC2CC2)C1	ZINC000886211683	985975596	/nfs/dbraw/zinc/97/55/96/985975596.db2.gz	VCCXBAWNCNNUHY-LJQANCHMSA-N	1	0	355.482	1.779	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)CCC1	ZINC000886231470	985983000	/nfs/dbraw/zinc/98/30/00/985983000.db2.gz	DWILBMCRGCGWCX-MCIONIFRSA-N	1	0	359.392	1.774	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(CO)cc2)c[nH]1	ZINC001095337291	986081212	/nfs/dbraw/zinc/08/12/12/986081212.db2.gz	OLAGSPULNCEQRB-QYZOEREBSA-N	1	0	350.422	1.914	20	30		FDEDRO
C#CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)C1	ZINC000886361720	986099776	/nfs/dbraw/zinc/09/97/76/986099776.db2.gz	SQFFDIKISSUOPX-AZUAARDMSA-N	1	0	369.509	1.869	20	30		FDEDRO
C#CCN(C(=O)CN1CCN(Cc2ccccc2)CC1)C1CC[NH+](C)CC1	ZINC000886582358	986385054	/nfs/dbraw/zinc/38/50/54/986385054.db2.gz	RKQZOFIBCAERNJ-UHFFFAOYSA-N	1	0	368.525	1.360	20	30		FDEDRO
N#CCc1ccsc1C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1	ZINC000870852934	986433054	/nfs/dbraw/zinc/43/30/54/986433054.db2.gz	OHILYKSGZADFLD-DZGCQCFKSA-N	1	0	360.483	1.535	20	30		FDEDRO
C#CCN1CCC[C@@H]([NH2+][C@H](C)c2cccc(N3CCCS3(=O)=O)c2)C1	ZINC000886660893	986465447	/nfs/dbraw/zinc/46/54/47/986465447.db2.gz	IDLURQQYODTMTE-SJLPKXTDSA-N	1	0	361.511	1.975	20	30		FDEDRO
C#CCN1CCC[C@H]([NH2+][C@@H](C)CC(=O)N2CCC(C(=O)OCC)CC2)C1	ZINC000886663336	986466420	/nfs/dbraw/zinc/46/64/20/986466420.db2.gz	YJPKFUSBUYHAFL-WMZOPIPTSA-N	1	0	363.502	1.254	20	30		FDEDRO
COc1cc(I)ccc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N	ZINC000870940613	986526154	/nfs/dbraw/zinc/52/61/54/986526154.db2.gz	LCVHYYKBIXOXJR-GZMMTYOYSA-N	1	0	371.178	1.141	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)c3cn([C@@H]4CCC[NH2+]C4)nn3)CC2)cc1	ZINC000870980974	986558847	/nfs/dbraw/zinc/55/88/47/986558847.db2.gz	BHLFCZAMXBQITA-QGZVFWFLSA-N	1	0	365.441	1.037	20	30		FDEDRO
C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1	ZINC000871054132	986622115	/nfs/dbraw/zinc/62/21/15/986622115.db2.gz	OCNNDIAFPBJTOR-LSDHHAIUSA-N	1	0	367.457	1.642	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1	ZINC000886882521	986685015	/nfs/dbraw/zinc/68/50/15/986685015.db2.gz	VIHRERDCKOZZLC-XAUUPUKJSA-N	1	0	351.443	1.479	20	30		FDEDRO
N#CCCc1ccc(S(=O)(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1	ZINC000886886787	986691051	/nfs/dbraw/zinc/69/10/51/986691051.db2.gz	SJDYXHBYWUVTHP-MSOLQXFVSA-N	1	0	363.483	1.660	20	30		FDEDRO
COC[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCCOC1	ZINC000886913387	986734672	/nfs/dbraw/zinc/73/46/72/986734672.db2.gz	AXTGVXNMTHZJIC-NVXWUHKLSA-N	1	0	352.456	1.363	20	30		FDEDRO
COC[C@@H]([NH2+]CC#CCN1C(=O)c2ccccc2C1=O)[C@H]1CCCOC1	ZINC000886917695	986738210	/nfs/dbraw/zinc/73/82/10/986738210.db2.gz	IIFNPXOZIIQBGV-MAUKXSAKSA-N	1	0	356.422	1.317	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)CC1	ZINC000871182841	986770175	/nfs/dbraw/zinc/77/01/75/986770175.db2.gz	KLZURTJOTSMLHR-UHFFFAOYSA-N	1	0	366.469	1.769	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)N[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2=O)o1	ZINC000871667459	987186070	/nfs/dbraw/zinc/18/60/70/987186070.db2.gz	LIZXOPJIZHPSIH-LJQANCHMSA-N	1	0	350.378	1.848	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(C#N)c1	ZINC000871804366	987248731	/nfs/dbraw/zinc/24/87/31/987248731.db2.gz	GMOQDNYAKSIXOU-KRWDZBQOSA-N	1	0	358.467	1.911	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1	ZINC000871804865	987249537	/nfs/dbraw/zinc/24/95/37/987249537.db2.gz	HTQURFGHLMWGFZ-SJORKVTESA-N	1	0	363.483	1.774	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N[C@]23CCC[C@H]2[NH2+]CC3)cc1Br	ZINC000871820457	987275678	/nfs/dbraw/zinc/27/56/78/987275678.db2.gz	PHLDBWIZJXKPSS-KGLIPLIRSA-N	1	0	370.272	1.884	20	30		FDEDRO
COc1ccc(NCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1C#N	ZINC000871866772	987291056	/nfs/dbraw/zinc/29/10/56/987291056.db2.gz	NQBLLUHJIHCOHQ-KRWDZBQOSA-N	1	0	360.458	1.452	20	30		FDEDRO
C=CCc1cc(C[NH2+]C[C@H](O)CC2(O)CCOCC2)cc(OC)c1OC	ZINC000872200063	987511055	/nfs/dbraw/zinc/51/10/55/987511055.db2.gz	VQNGTIXGHPYCMF-QGZVFWFLSA-N	1	0	365.470	1.814	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1	ZINC000888596662	987519026	/nfs/dbraw/zinc/51/90/26/987519026.db2.gz	CDKUQSVOWHEOMR-ZWKOTPCHSA-N	1	0	365.518	1.867	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@@H]([NH2+]C[C@H](O)CN1C(=O)c3ccccc3C1=O)C2	ZINC000872237806	987535547	/nfs/dbraw/zinc/53/55/47/987535547.db2.gz	AZANZXFPLKCLES-IRXDYDNUSA-N	1	0	361.401	1.272	20	30		FDEDRO
CC[NH+](CC)CCN1c2ccccc2C(=NNc2cc(C)nc(N)n2)C1=O	ZINC000872420337	987644669	/nfs/dbraw/zinc/64/46/69/987644669.db2.gz	NVZDJWOJSXOYDN-UHFFFAOYSA-N	1	0	367.457	1.872	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000872447622	987666927	/nfs/dbraw/zinc/66/69/27/987666927.db2.gz	UCNKTPSNSGFYJM-UHFFFAOYSA-N	1	0	363.483	1.790	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N2CCC(OCCC[NH+](C)C)CC2)c(C#N)c1	ZINC000872459716	987682970	/nfs/dbraw/zinc/68/29/70/987682970.db2.gz	VQKOFJFTIQZFPC-UHFFFAOYSA-N	1	0	365.499	1.988	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(C#N)c1	ZINC000872462640	987685788	/nfs/dbraw/zinc/68/57/88/987685788.db2.gz	FHWJVQWMFPEXPD-BRWVUGGUSA-N	1	0	363.483	1.739	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21	ZINC000872463083	987687027	/nfs/dbraw/zinc/68/70/27/987687027.db2.gz	ICROPQXTSDCCOP-YESZJQIVSA-N	1	0	363.483	1.739	20	30		FDEDRO
N#CCOc1ccc(/C=C/C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1	ZINC000360584786	988081489	/nfs/dbraw/zinc/08/14/89/988081489.db2.gz	OIKCVVFYZGPOGW-BDJRERGKSA-N	1	0	355.438	1.660	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1)C[NH+]1CCCCC1	ZINC000872924418	988289820	/nfs/dbraw/zinc/28/98/20/988289820.db2.gz	RUHPBHNLUCXUJV-KRWDZBQOSA-N	1	0	370.501	1.907	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCCC34CCCC4)CC2)o1	ZINC000366103265	988408634	/nfs/dbraw/zinc/40/86/34/988408634.db2.gz	JRNHWVWLJZMJKG-UHFFFAOYSA-N	1	0	357.458	1.912	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N(C)C[C@@H]1CN(c2ccccc2)C(=O)O1	ZINC000873024493	988430790	/nfs/dbraw/zinc/43/07/90/988430790.db2.gz	SKBQXRNRIPSPBJ-QGZVFWFLSA-N	1	0	358.442	1.608	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(C(=O)Cc2cc(F)c(C)cc2F)CC1	ZINC000294539852	988457394	/nfs/dbraw/zinc/45/73/94/988457394.db2.gz	JKCDJJPMZCFWJX-UHFFFAOYSA-N	1	0	363.408	1.099	20	30		FDEDRO
C#C[C@H]1CC[C@H](NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1	ZINC000873040577	988464685	/nfs/dbraw/zinc/46/46/85/988464685.db2.gz	DTUWCJHODYYRRN-IYARVYRRSA-N	1	0	362.518	1.274	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)cn1	ZINC000873059808	988494263	/nfs/dbraw/zinc/49/42/63/988494263.db2.gz	ZDRLUSBOEUNBDE-RTBURBONSA-N	1	0	368.485	1.802	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1C#N	ZINC000873105595	988561546	/nfs/dbraw/zinc/56/15/46/988561546.db2.gz	ZGVQMVPPMSNGMB-JQWIXIFHSA-N	1	0	354.332	1.401	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1	ZINC000873105600	988561986	/nfs/dbraw/zinc/56/19/86/988561986.db2.gz	ZHSYKYQJPSTYEU-RISCZKNCSA-N	1	0	371.359	1.786	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)cc1	ZINC000873304421	988699961	/nfs/dbraw/zinc/69/99/61/988699961.db2.gz	PZXIHFPWYYXOFW-QGZVFWFLSA-N	1	0	372.469	1.883	20	30		FDEDRO
CNC(NC[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(CCOC)c1)=[NH+]C	ZINC000366822795	988799347	/nfs/dbraw/zinc/79/93/47/988799347.db2.gz	JOIUFLUPFBQJEL-XJKSGUPXSA-N	1	0	364.494	1.012	20	30		FDEDRO
Cc1cccnc1NC(=O)C1CC[NH+](CCC(=O)N(C)CCC#N)CC1	ZINC000367502644	988954033	/nfs/dbraw/zinc/95/40/33/988954033.db2.gz	KKXXXXRHNHZDPN-UHFFFAOYSA-N	1	0	357.458	1.803	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1C#N	ZINC000873663689	988955500	/nfs/dbraw/zinc/95/55/00/988955500.db2.gz	JHCBZLKLLRBEGE-GJZGRUSLSA-N	1	0	372.469	1.990	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CCCN(c3ccccc3C#N)C2)C1	ZINC000363179402	988973763	/nfs/dbraw/zinc/97/37/63/988973763.db2.gz	KKIZXJCEIHTGTI-ZWKOTPCHSA-N	1	0	371.485	1.547	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1	ZINC000368069117	988977029	/nfs/dbraw/zinc/97/70/29/988977029.db2.gz	DUULKSFULJUAEW-XZJROXQQSA-N	1	0	366.412	1.700	20	30		FDEDRO
Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1	ZINC000873677630	988977367	/nfs/dbraw/zinc/97/73/67/988977367.db2.gz	PWGNJSLUTBNXNI-UHFFFAOYSA-N	1	0	367.384	1.688	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N(C)C1CC[NH+](CC(=O)N2CCCC2)CC1	ZINC000368205822	988983189	/nfs/dbraw/zinc/98/31/89/988983189.db2.gz	QVFPAAGBYSJXSX-UHFFFAOYSA-N	1	0	367.493	1.756	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc(C(=O)OC)nn2)C1	ZINC000368358369	988990953	/nfs/dbraw/zinc/99/09/53/988990953.db2.gz	UBMLSCHZYPZDGQ-HUUCEWRRSA-N	1	0	361.446	1.291	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)[N@@H+]1CCc2ccccc2C1	ZINC000369228190	989036459	/nfs/dbraw/zinc/03/64/59/989036459.db2.gz	AEUQHUQXFWOIMD-JXFKEZNVSA-N	1	0	367.497	1.815	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCCCC3)C2)CC1	ZINC000369525065	989058428	/nfs/dbraw/zinc/05/84/28/989058428.db2.gz	KGCBLRSIQJYYFE-SFHVURJKSA-N	1	0	374.529	1.955	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)CC1	ZINC000369589840	989062246	/nfs/dbraw/zinc/06/22/46/989062246.db2.gz	AKSUWQIIWVWFJD-LJQANCHMSA-N	1	0	367.493	1.682	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)C2CC[NH+](C)CC2)s1	ZINC000873724945	989067703	/nfs/dbraw/zinc/06/77/03/989067703.db2.gz	WKKJTKSEJARUPV-UHFFFAOYSA-N	1	0	371.528	1.308	20	30		FDEDRO
CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cc(C#N)c(F)cc1C	ZINC000873761212	989134629	/nfs/dbraw/zinc/13/46/29/989134629.db2.gz	UOKYRORSJZGGKC-CQSZACIVSA-N	1	0	364.421	1.417	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C1C[C@@H]2COC[C@H](C1)C2=O	ZINC000363417062	989179430	/nfs/dbraw/zinc/17/94/30/989179430.db2.gz	XDYANRXZCVILLN-YQQQUEKLSA-N	1	0	369.465	1.690	20	30		FDEDRO
N#CCCn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCCC3)C2)n1	ZINC000363422215	989185009	/nfs/dbraw/zinc/18/50/09/989185009.db2.gz	LMSOQWKOMKBAGQ-OAHLLOKOSA-N	1	0	372.473	1.649	20	30		FDEDRO
Cc1nc(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)ccc1C#N	ZINC000369820490	989213716	/nfs/dbraw/zinc/21/37/16/989213716.db2.gz	VDAGAANGJDPAMS-CRAIPNDOSA-N	1	0	352.442	1.808	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1C#N	ZINC000873819427	989252065	/nfs/dbraw/zinc/25/20/65/989252065.db2.gz	CAMADRGCVJAEHN-ZDUSSCGKSA-N	1	0	358.442	1.694	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1C#N	ZINC000873831403	989274906	/nfs/dbraw/zinc/27/49/06/989274906.db2.gz	AXIONZCWMHSZMM-CZUORRHYSA-N	1	0	356.426	1.448	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)C1	ZINC000369937786	989325087	/nfs/dbraw/zinc/32/50/87/989325087.db2.gz	RIIDMMISLYDYOC-ROUUACIJSA-N	1	0	371.485	1.315	20	30		FDEDRO
N#Cc1ccccc1OCC(=O)N1CCC(CC[NH+]2CCOCC2)CC1	ZINC000363659995	989372953	/nfs/dbraw/zinc/37/29/53/989372953.db2.gz	MBYBHMKJRWIZSC-UHFFFAOYSA-N	1	0	357.454	1.898	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@]2(N(C)C)CCOc3ccccc32)CC1	ZINC000370026260	989396763	/nfs/dbraw/zinc/39/67/63/989396763.db2.gz	LXQIFCPIOFUMKT-OAQYLSRUSA-N	1	0	355.482	1.830	20	30		FDEDRO
C#Cc1ccc(CNC(=O)C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)cc1	ZINC000873898829	989414982	/nfs/dbraw/zinc/41/49/82/989414982.db2.gz	HIDGHESCJVBWIX-UHFFFAOYSA-N	1	0	365.437	1.386	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)NC[C@@]1(COC)OCCc2ccccc21	ZINC000297167794	989487562	/nfs/dbraw/zinc/48/75/62/989487562.db2.gz	RYRBHLSASFSJSS-FQEVSTJZSA-N	1	0	359.470	1.355	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1	ZINC000297300996	989509571	/nfs/dbraw/zinc/50/95/71/989509571.db2.gz	HPIIYUOSODZPFB-HNNXBMFYSA-N	1	0	361.442	1.218	20	30		FDEDRO
CC[NH+]1CCC(N(C(=O)CNC(=O)c2ccc(C#N)cc2)C2CC2)CC1	ZINC000364197761	989510692	/nfs/dbraw/zinc/51/06/92/989510692.db2.gz	XEHDEOSBPQSTNY-UHFFFAOYSA-N	1	0	354.454	1.763	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H]1C(=O)NCC1CCOCC1	ZINC000370185832	989531223	/nfs/dbraw/zinc/53/12/23/989531223.db2.gz	RYXXFQYWKITSOX-NVXWUHKLSA-N	1	0	364.490	1.002	20	30		FDEDRO
C#CCN(C(=O)NC1CCN(CC(=O)N2CCCC2)CC1)C1CCCC1	ZINC000364360338	989548961	/nfs/dbraw/zinc/54/89/61/989548961.db2.gz	QYWWBBRBZXRRCJ-UHFFFAOYSA-N	1	0	360.502	1.661	20	30		FDEDRO
C[NH+]1CCC(n2ccc(N[C@H]3CCN(c4sccc4C#N)C3=O)n2)CC1	ZINC000364606399	989674529	/nfs/dbraw/zinc/67/45/29/989674529.db2.gz	NDDVIINMPCRSCI-HNNXBMFYSA-N	1	0	370.482	2.300	20	30		FDEDRO
C[C@@H](C#N)CN(C)C(=O)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1	ZINC000297811657	989705721	/nfs/dbraw/zinc/70/57/21/989705721.db2.gz	PJQIVFARAORFNY-INIZCTEOSA-N	1	0	371.485	1.765	20	30		FDEDRO
CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3ccccc3OCC#N)C2)CC1	ZINC000370424813	989733436	/nfs/dbraw/zinc/73/34/36/989733436.db2.gz	PUAXLHVHVQHBEN-KRWDZBQOSA-N	1	0	356.470	1.829	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1	ZINC000874096105	989739133	/nfs/dbraw/zinc/73/91/33/989739133.db2.gz	CVAXHHGNVQUVDY-AWEZNQCLSA-N	1	0	358.442	1.859	20	30		FDEDRO
C=CCN(C(=O)C(=O)Nc1nocc1C)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000364756200	989770826	/nfs/dbraw/zinc/77/08/26/989770826.db2.gz	NXPZVSVGSOBSFD-KRWDZBQOSA-N	1	0	368.437	2.211	20	30		FDEDRO
C[C@@H]1CN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H](C)[N@H+]1CCO	ZINC000364839931	989834344	/nfs/dbraw/zinc/83/43/44/989834344.db2.gz	OCYCDSJVPKGMOH-FCEWJHQRSA-N	1	0	356.470	1.441	20	30		FDEDRO
C[C@H](CO)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1	ZINC000364976492	989928991	/nfs/dbraw/zinc/92/89/91/989928991.db2.gz	CKMGWAVHKWGXRT-OAHLLOKOSA-N	1	0	372.469	1.341	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[N@@H+](C2CCOCC2)CC1	ZINC000370756871	989970827	/nfs/dbraw/zinc/97/08/27/989970827.db2.gz	LBKSJXXMUSKZQT-UHFFFAOYSA-N	1	0	370.453	1.519	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1	ZINC000370771131	989977949	/nfs/dbraw/zinc/97/79/49/989977949.db2.gz	DGGZWVYHCPTOSL-SZMVWBNQSA-N	1	0	357.454	1.943	20	30		FDEDRO
CC1(C)NC(=O)N(CCN2CCN(Cc3ccc(C#N)cc3)CC2)C1=O	ZINC000298333005	990051223	/nfs/dbraw/zinc/05/12/23/990051223.db2.gz	ZCOMJHIAGXSVQE-UHFFFAOYSA-N	1	0	355.442	1.006	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H]([NH+](C)C)C2)s1	ZINC000874311323	990079700	/nfs/dbraw/zinc/07/97/00/990079700.db2.gz	WLOXKMAGJXNUMJ-CYBMUJFWSA-N	1	0	371.528	1.308	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C	ZINC000874369796	990203241	/nfs/dbraw/zinc/20/32/41/990203241.db2.gz	UZEFJMDEYVYHKF-VNQPRFMTSA-N	1	0	356.426	1.611	20	30		FDEDRO
C=C(Br)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2	ZINC001095424416	990206789	/nfs/dbraw/zinc/20/67/89/990206789.db2.gz	QBKKLIHVLYTSTE-WCVJEAGWSA-N	1	0	368.319	1.958	20	30		FDEDRO
C[C@@H](C#N)CN(C)C(=O)C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000298716181	990238042	/nfs/dbraw/zinc/23/80/42/990238042.db2.gz	ZZHPNMVGCIGWKU-FUHWJXTLSA-N	1	0	356.470	1.727	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1	ZINC000371093457	990243888	/nfs/dbraw/zinc/24/38/88/990243888.db2.gz	KRMFLKLUHNMMIO-JXFKEZNVSA-N	1	0	369.469	1.847	20	30		FDEDRO
CC[C@H](C)[N@H+](C)CCNC(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000371098962	990247733	/nfs/dbraw/zinc/24/77/33/990247733.db2.gz	JEJQJOGNOGYOFG-AUSJPIAWSA-N	1	0	369.469	1.772	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000365513685	990260825	/nfs/dbraw/zinc/26/08/25/990260825.db2.gz	NLGKNTXEMGDTSC-SFHVURJKSA-N	1	0	373.501	1.527	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](O)c2cc(OC)ccc2OC)CC1	ZINC000874766584	990525891	/nfs/dbraw/zinc/52/58/91/990525891.db2.gz	UHUKXYVSJBBRSZ-IFXJQAMLSA-N	1	0	360.454	1.587	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)c1	ZINC000874847974	990576970	/nfs/dbraw/zinc/57/69/70/990576970.db2.gz	QTDHIEUJIYENHK-DLBZAZTESA-N	1	0	363.483	1.460	20	30		FDEDRO
N#CCCCOc1cccc(C[NH2+][C@H]2CCN(CCN3CCOCC3)C2)c1	ZINC000371664235	990608344	/nfs/dbraw/zinc/60/83/44/990608344.db2.gz	QSPADRMOBZGSHY-FQEVSTJZSA-N	1	0	372.513	1.865	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCN(CCN3CCOCC3)C2)cc1	ZINC000371664019	990608382	/nfs/dbraw/zinc/60/83/82/990608382.db2.gz	OLVGCFSISHLNCB-HKUYNNGSSA-N	1	0	358.486	1.474	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1	ZINC000875060861	990810756	/nfs/dbraw/zinc/81/07/56/990810756.db2.gz	SFOPPJGVWYNVGI-ZWKOTPCHSA-N	1	0	357.454	1.094	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1	ZINC000875066438	990822172	/nfs/dbraw/zinc/82/21/72/990822172.db2.gz	SIPPDMDRWCUAKK-YESZJQIVSA-N	1	0	351.491	1.015	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1	ZINC000875129445	990936184	/nfs/dbraw/zinc/93/61/84/990936184.db2.gz	ZVZHXKJIWMUSKN-SFHVURJKSA-N	1	0	363.502	1.302	20	30		FDEDRO
CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1CCC(=O)Nc1ccccc1C#N	ZINC000372273141	990990811	/nfs/dbraw/zinc/99/08/11/990990811.db2.gz	LCBOSNNSHSNTMK-JKSUJKDBSA-N	1	0	359.426	1.929	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000875166902	990992363	/nfs/dbraw/zinc/99/23/63/990992363.db2.gz	OGEFQTQDOLBHNW-RTBURBONSA-N	1	0	371.481	1.169	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1	ZINC000372341520	991025682	/nfs/dbraw/zinc/02/56/82/991025682.db2.gz	DKFFUWMENQHPHK-MSOLQXFVSA-N	1	0	358.442	1.362	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000875214219	991096180	/nfs/dbraw/zinc/09/61/80/991096180.db2.gz	KAALTKXNDISNBC-INIZCTEOSA-N	1	0	364.534	1.380	20	30		FDEDRO
C=CCN(C(=O)CN1C(=O)CN(C)C1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000372602815	991259731	/nfs/dbraw/zinc/25/97/31/991259731.db2.gz	WVSRDLWMZUQPLN-QGZVFWFLSA-N	1	0	370.453	1.170	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1	ZINC000875306372	991290432	/nfs/dbraw/zinc/29/04/32/991290432.db2.gz	BHINWQSYIAFBTF-KURKYZTESA-N	1	0	357.454	1.093	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)ccc1F	ZINC000372649709	991297771	/nfs/dbraw/zinc/29/77/71/991297771.db2.gz	CRYZBVOGLAZHHG-HOTGVXAUSA-N	1	0	374.416	1.084	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c1	ZINC000875398971	991470458	/nfs/dbraw/zinc/47/04/58/991470458.db2.gz	ROGXPNQLFNXMQR-LJQANCHMSA-N	1	0	353.466	1.807	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000875604556	991794423	/nfs/dbraw/zinc/79/44/23/991794423.db2.gz	PMBBPWFIENWRDX-RBUKOAKNSA-N	1	0	371.481	1.264	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@](COC)(C(=O)OC(C)(C)C)C1	ZINC000875623549	991821400	/nfs/dbraw/zinc/82/14/00/991821400.db2.gz	SHWIJKXIKCROAV-LJQANCHMSA-N	1	0	367.490	1.331	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1	ZINC000875623798	991821601	/nfs/dbraw/zinc/82/16/01/991821601.db2.gz	WGSNVVAUUYZCMT-HOTGVXAUSA-N	1	0	351.491	1.951	20	30		FDEDRO
CN(CC(=O)Nc1ccc(C#N)cc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000373215561	992020255	/nfs/dbraw/zinc/02/02/55/992020255.db2.gz	JLFHIKJCTXJBOO-IBGZPJMESA-N	1	0	355.486	1.597	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CN4CCC[C@@H]4CO3)CC2)cc1	ZINC000373224283	992031379	/nfs/dbraw/zinc/03/13/79/992031379.db2.gz	RMFLZOKQEHFFMC-RTWAWAEBSA-N	1	0	354.498	1.975	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)CC2)CC[N@@H+]1C	ZINC000964841512	1015687483	/nfs/dbraw/zinc/68/74/83/1015687483.db2.gz	AYSDTJBHFLLRRN-FRFSOERESA-N	1	0	357.458	1.337	20	30		FDEDRO
C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC2(CC#N)CC2)cc1F	ZINC000411491063	992458256	/nfs/dbraw/zinc/45/82/56/992458256.db2.gz	UTGHRGOQHLICLC-UHFFFAOYSA-N	1	0	362.405	1.515	20	30		FDEDRO
C#CCC1(NC(=O)NCc2ccnc(OCC[NH+](C)C)c2)CCOCC1	ZINC000888709894	992463979	/nfs/dbraw/zinc/46/39/79/992463979.db2.gz	VYNAZZWTBKXNGE-UHFFFAOYSA-N	1	0	360.458	1.394	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCC([N@@H+]3CC[C@@H](O)C3)CC1)C2	ZINC000876278663	992519498	/nfs/dbraw/zinc/51/94/98/992519498.db2.gz	HMWHCUFOCATNSM-IEBWSBKVSA-N	1	0	354.454	1.266	20	30		FDEDRO
C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)N[C@H]1Cc2ccc(C#N)cc2C1	ZINC000876278912	992519677	/nfs/dbraw/zinc/51/96/77/992519677.db2.gz	LJDKQPCRHOTYRZ-RBUKOAKNSA-N	1	0	356.470	1.778	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1	ZINC000374050052	992574681	/nfs/dbraw/zinc/57/46/81/992574681.db2.gz	MCZQBEAJDZILHZ-UHFFFAOYSA-N	1	0	374.529	1.955	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)CC1	ZINC000374233305	992713942	/nfs/dbraw/zinc/71/39/42/992713942.db2.gz	XCEPNUAMNAOGSZ-APWZRJJASA-N	1	0	353.466	1.637	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F	ZINC000876581939	992718782	/nfs/dbraw/zinc/71/87/82/992718782.db2.gz	RNVRNUCVXAIDSC-BXKDBHETSA-N	1	0	354.760	1.146	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)CC[N@@H+]1C	ZINC000964936025	1015732557	/nfs/dbraw/zinc/73/25/57/1015732557.db2.gz	RILITSCIILYANH-FRFSOERESA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1	ZINC000876681270	992791796	/nfs/dbraw/zinc/79/17/96/992791796.db2.gz	OCMZKGWYHGWWGX-DZGCQCFKSA-N	1	0	351.834	1.252	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1	ZINC000876724142	992836352	/nfs/dbraw/zinc/83/63/52/992836352.db2.gz	OLAZBDPFDUEKJC-LSDHHAIUSA-N	1	0	356.898	1.002	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1	ZINC000876754549	992875956	/nfs/dbraw/zinc/87/59/56/992875956.db2.gz	SFMTUHAKSUHJRH-HNNXBMFYSA-N	1	0	356.898	1.049	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(CC(=O)N2CCN(CC)CC2)CC1	ZINC000876755019	992877287	/nfs/dbraw/zinc/87/72/87/992877287.db2.gz	IITYZDWGOGJPCN-INIZCTEOSA-N	1	0	370.925	1.249	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(c2ncnc3ccsc32)CC1	ZINC000876762213	992885243	/nfs/dbraw/zinc/88/52/43/992885243.db2.gz	CKROFZTYWZLAEQ-NSHDSACASA-N	1	0	351.863	1.810	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](C)N1CCN(c2ccccc2)CC1	ZINC000876779994	992905058	/nfs/dbraw/zinc/90/50/58/992905058.db2.gz	AKDNJBCRZBHHEB-DOTOQJQBSA-N	1	0	350.894	1.783	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NCCC[C@H]2CCC[NH2+]2)s1	ZINC000876867671	992941423	/nfs/dbraw/zinc/94/14/23/992941423.db2.gz	IZDLJIGADPVENM-CYBMUJFWSA-N	1	0	371.528	1.403	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N(CCCN1CCOCC1)Cc1ccncc1	ZINC000876872625	992943030	/nfs/dbraw/zinc/94/30/30/992943030.db2.gz	IMFPZBURRCPPLW-QGZVFWFLSA-N	1	0	366.893	1.602	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)s1	ZINC000876919405	992967214	/nfs/dbraw/zinc/96/72/14/992967214.db2.gz	VURAZBCLHZZGAE-QWHCGFSZSA-N	1	0	371.528	1.198	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCn2c(Cc3cccc(F)c3)nnc2C1	ZINC000876944684	992977237	/nfs/dbraw/zinc/97/72/37/992977237.db2.gz	OZTHTFWVZNNLMH-CQSZACIVSA-N	1	0	363.824	1.820	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCC(OCC3CC3)CC2)CC1	ZINC000374992345	992978647	/nfs/dbraw/zinc/97/86/47/992978647.db2.gz	XGAQMPYTDHHGLW-IBGZPJMESA-N	1	0	362.518	1.570	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2)c(F)c1	ZINC000375024948	992984634	/nfs/dbraw/zinc/98/46/34/992984634.db2.gz	RJNOREIEHIKBBS-CYBMUJFWSA-N	1	0	358.348	1.772	20	30		FDEDRO
CN1C(=O)c2ccccc2[C@H]1CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000877044008	993027935	/nfs/dbraw/zinc/02/79/35/993027935.db2.gz	PQYWMMYDDRTXCR-RTBURBONSA-N	1	0	360.417	1.688	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3C3CC3)CC2)CC1	ZINC000964962363	1015754470	/nfs/dbraw/zinc/75/44/70/1015754470.db2.gz	RAMSUXFLRHESON-HSALFYBXSA-N	1	0	371.525	1.875	20	30		FDEDRO
N#Cc1cnc(Cl)c(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c1	ZINC000877093694	993044293	/nfs/dbraw/zinc/04/42/93/993044293.db2.gz	VBRPGVVTDLMWMQ-UHFFFAOYSA-N	1	0	354.863	1.653	20	30		FDEDRO
CN(CC(=O)N(CCC#N)CCC#N)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1	ZINC000375276887	993046809	/nfs/dbraw/zinc/04/68/09/993046809.db2.gz	VSFXLGSJYURFED-ICSRJNTNSA-N	1	0	368.485	1.662	20	30		FDEDRO
C=C(Cl)C[C@@H](NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)C(=O)OCC	ZINC000877144537	993069106	/nfs/dbraw/zinc/06/91/06/993069106.db2.gz	PARQJDHCJIZPOE-QWHCGFSZSA-N	1	0	369.853	1.397	20	30		FDEDRO
Cn1ncc(Br)c1CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000877148463	993072171	/nfs/dbraw/zinc/07/21/71/993072171.db2.gz	LLAWGOPEMBCECU-OAHLLOKOSA-N	1	0	374.242	1.557	20	30		FDEDRO
N#CCOc1ccc(CN2CCc3onc(CN4CCOCC4)c3C2)cc1	ZINC001137116810	993087990	/nfs/dbraw/zinc/08/79/90/993087990.db2.gz	RGDBUIJPEYKKHV-UHFFFAOYSA-N	1	0	368.437	1.967	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2C3CCC2(C[NH3+])CC3)s1	ZINC000877186902	993092452	/nfs/dbraw/zinc/09/24/52/993092452.db2.gz	YMZCFSPYBFVPIO-UHFFFAOYSA-N	1	0	369.512	1.237	20	30		FDEDRO
Cc1cc(N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c(C#N)cc1[N+](=O)[O-]	ZINC000413315320	993228772	/nfs/dbraw/zinc/22/87/72/993228772.db2.gz	JWAYFHDXWXRAJF-OAHLLOKOSA-N	1	0	357.414	1.566	20	30		FDEDRO
C=CCn1c(-c2nnn(C)c2C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1	ZINC000651512105	1015781235	/nfs/dbraw/zinc/78/12/35/1015781235.db2.gz	MFUMFTWMKFPILF-MRXNPFEDSA-N	1	0	370.505	1.880	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCCNC2=O)C3)cc1	ZINC001095569410	993531093	/nfs/dbraw/zinc/53/10/93/993531093.db2.gz	RCYOTZQHQZSQKC-OWSLCNJRSA-N	1	0	352.438	1.306	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1	ZINC000968869976	1015788648	/nfs/dbraw/zinc/78/86/48/1015788648.db2.gz	JOPWUFRMTJWAPC-JTDSTZFVSA-N	1	0	356.426	1.238	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)C3CC3)cc2)CC1	ZINC000826014584	993627845	/nfs/dbraw/zinc/62/78/45/993627845.db2.gz	ZJDQWLPSERLKJV-UHFFFAOYSA-N	1	0	360.479	1.840	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CC[N@@H+](C[C@H](O)C[C@H](O)c3ccccc3)C2)nc1	ZINC000878641742	994084939	/nfs/dbraw/zinc/08/49/39/994084939.db2.gz	TXPJAQQGKYCEPO-QRVBRYPASA-N	1	0	353.422	1.891	20	30		FDEDRO
C[C@@H]1C[NH+](C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)C[C@@H](C)N1CC#N	ZINC000878772156	994213917	/nfs/dbraw/zinc/21/39/17/994213917.db2.gz	GWOSZINTSULGTG-GPMSIDNRSA-N	1	0	366.506	1.667	20	30		FDEDRO
C[C@@H]1C[NH+](C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C[C@@H](C)N1CC#N	ZINC000878772042	994214055	/nfs/dbraw/zinc/21/40/55/994214055.db2.gz	CYNCBLYNXOFDBU-RKVPGOIHSA-N	1	0	352.479	1.276	20	30		FDEDRO
C#CCNC(=O)c1cccc(-c2noc(COC3CC[NH+](C)CC3)n2)c1	ZINC000923864249	994259118	/nfs/dbraw/zinc/25/91/18/994259118.db2.gz	PKPDSZKLIRXLQW-UHFFFAOYSA-N	1	0	354.410	1.710	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000924019207	994326556	/nfs/dbraw/zinc/32/65/56/994326556.db2.gz	UUJUHMZVBWXNAB-GOSISDBHSA-N	1	0	359.470	1.087	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H](CCOC)NC(=O)OC(C)(C)C)CC1	ZINC000878926572	994354887	/nfs/dbraw/zinc/35/48/87/994354887.db2.gz	LHDCTGOZBMQIPK-INIZCTEOSA-N	1	0	367.490	1.520	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1C[C@@H]2CCC[C@]2(c2nc(-c3cnccn3)no2)C1	ZINC000924065280	994359342	/nfs/dbraw/zinc/35/93/42/994359342.db2.gz	JPAUDQWOHKXAGR-LIRRHRJNSA-N	1	0	368.441	1.525	20	30		FDEDRO
CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2OCC#N)C1	ZINC000878936306	994365732	/nfs/dbraw/zinc/36/57/32/994365732.db2.gz	DSFTVATVXNYVTA-ZDUSSCGKSA-N	1	0	350.394	1.695	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1nccc(C)n1)C2	ZINC000965140959	1015856918	/nfs/dbraw/zinc/85/69/18/1015856918.db2.gz	KNWBMLKQYYYEKM-MIKZSQDASA-N	1	0	356.470	1.893	20	30		FDEDRO
C=CCC[C@H](CO)NC(=O)c1nnn(-c2cccc3c2CC[N@@H+](C)C3)c1C	ZINC000654296573	1015866359	/nfs/dbraw/zinc/86/63/59/1015866359.db2.gz	XRVDONIHFPZMLV-MRXNPFEDSA-N	1	0	369.469	1.621	20	30		FDEDRO
Cn1ncc(Br)c1CC(=O)N(CCC#N)CCC[NH+](C)C	ZINC000879109250	994547234	/nfs/dbraw/zinc/54/72/34/994547234.db2.gz	NBPWRSSCTVEDDJ-UHFFFAOYSA-N	1	0	356.268	1.419	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)NCCCCCN2CC[NH2+]CC2)c1	ZINC000923680422	994691340	/nfs/dbraw/zinc/69/13/40/994691340.db2.gz	YNHBRWZOUIRZOC-UHFFFAOYSA-N	1	0	354.451	1.051	20	30		FDEDRO
N#Cc1cccc(CS(=O)(=O)NCCCCCN2CC[NH2+]CC2)c1	ZINC000923681260	994753455	/nfs/dbraw/zinc/75/34/55/994753455.db2.gz	HTOAISYVYWQJPL-UHFFFAOYSA-N	1	0	350.488	1.053	20	30		FDEDRO
CNC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1	ZINC000879332881	994779428	/nfs/dbraw/zinc/77/94/28/994779428.db2.gz	MBSDBULFNBBZBH-IRXDYDNUSA-N	1	0	360.458	1.276	20	30		FDEDRO
C=CCCC[C@H]1NC(=O)N(CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1=O	ZINC000924572804	994841860	/nfs/dbraw/zinc/84/18/60/994841860.db2.gz	FJDJNJMVIKTIBL-CABCVRRESA-N	1	0	350.463	1.206	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)NCCCCCN1CC[NH2+]CC1	ZINC000923682948	994891692	/nfs/dbraw/zinc/89/16/92/994891692.db2.gz	WCUBWMSLDAOOTF-UHFFFAOYSA-N	1	0	350.488	1.221	20	30		FDEDRO
COC(=O)C[C@@](C)([NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C1CC1	ZINC000879442084	994915712	/nfs/dbraw/zinc/91/57/12/994915712.db2.gz	NCICQPWVJFKRSQ-QFBILLFUSA-N	1	0	364.490	1.000	20	30		FDEDRO
CN(C)c1cc[nH+]c(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1	ZINC000924664328	994918639	/nfs/dbraw/zinc/91/86/39/994918639.db2.gz	KKHAJEWXWPMBSF-UHFFFAOYSA-N	1	0	365.441	1.446	20	30		FDEDRO
N#CCCN1CC[NH+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)CC1	ZINC000879600259	995070927	/nfs/dbraw/zinc/07/09/27/995070927.db2.gz	SBRZZROPIROMRZ-UHFFFAOYSA-N	1	0	371.485	1.383	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCC(C(C)(C)O)CC2)CC1	ZINC000879627450	995102495	/nfs/dbraw/zinc/10/24/95/995102495.db2.gz	GQFHOAHUHNOVLF-QGZVFWFLSA-N	1	0	350.507	1.162	20	30		FDEDRO
C=CCCC[C@@H]1NC(=O)N([C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1=O	ZINC000925103025	995290707	/nfs/dbraw/zinc/29/07/07/995290707.db2.gz	XQMSIXBTJSADHE-SJORKVTESA-N	1	0	364.490	1.060	20	30		FDEDRO
COC(=O)C1(C#N)CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1	ZINC000925166331	995358594	/nfs/dbraw/zinc/35/85/94/995358594.db2.gz	ASGYSQGBXYAJPN-KGLIPLIRSA-N	1	0	366.487	1.055	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COC1CCOCC1	ZINC001110899677	995390281	/nfs/dbraw/zinc/39/02/81/995390281.db2.gz	MGOPQCJWOFXFHC-ATLSCFEFSA-N	1	0	366.502	1.477	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COC1CCOCC1	ZINC001110899676	995390686	/nfs/dbraw/zinc/39/06/86/995390686.db2.gz	MGOPQCJWOFXFHC-AHCXZYCDSA-N	1	0	366.502	1.477	20	30		FDEDRO
CONC(=O)C1CC[NH+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1	ZINC000879924299	995399702	/nfs/dbraw/zinc/39/97/02/995399702.db2.gz	JJKCAYGDFJKGOO-XAUUPUKJSA-N	1	0	364.490	1.695	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@H](C)c2ccc(C(F)(F)F)nc2)CC1	ZINC000880098654	995636913	/nfs/dbraw/zinc/63/69/13/995636913.db2.gz	XZWCAJNVPUHVMX-CYBMUJFWSA-N	1	0	354.376	1.528	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2[C@H]1CCN2CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1	ZINC000880138442	995674753	/nfs/dbraw/zinc/67/47/53/995674753.db2.gz	WSHPTRNBWFOFSL-DJIMGWMZSA-N	1	0	365.437	1.680	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)CN1CCC[C@@H]([NH2+]C2CCOCC2)C1	ZINC000880201580	995719801	/nfs/dbraw/zinc/71/98/01/995719801.db2.gz	OZNVCKVOKUKWRQ-RTBURBONSA-N	1	0	359.470	1.531	20	30		FDEDRO
C[C@@H]1CN(C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)C[C@H](C)N1CC#N	ZINC000925920324	995828009	/nfs/dbraw/zinc/82/80/09/995828009.db2.gz	SJOMIPCQYUFFFF-SOLBZPMBSA-N	1	0	358.490	1.702	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@]([NH3+])(CO)C2)cc1	ZINC000925978547	995872760	/nfs/dbraw/zinc/87/27/60/995872760.db2.gz	DOVUKLPJUCQLOZ-FQEVSTJZSA-N	1	0	372.469	1.818	20	30		FDEDRO
N#Cc1cccnc1-n1cc(NC(=O)N2CC[C@]3(C2)CCCC[NH2+]3)cn1	ZINC000926090427	995915764	/nfs/dbraw/zinc/91/57/64/995915764.db2.gz	GVVQFXOWNDRMCP-SFHVURJKSA-N	1	0	351.414	1.889	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O	ZINC000926166881	995953199	/nfs/dbraw/zinc/95/31/99/995953199.db2.gz	RNPMIKYEJDDUOI-DZJHOTPTSA-N	1	0	359.470	1.856	20	30		FDEDRO
N#CCCc1ccc(NC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1	ZINC000926193032	995972720	/nfs/dbraw/zinc/97/27/20/995972720.db2.gz	LAQOSJZUIFJPRT-KRWDZBQOSA-N	1	0	369.469	1.818	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O	ZINC000926268110	996011413	/nfs/dbraw/zinc/01/14/13/996011413.db2.gz	FTTWJKWGCPQULZ-GGPCPXQKSA-N	1	0	350.503	1.954	20	30		FDEDRO
C#CCOc1ccc(C[NH2+][C@@H](C)C2CCN(S(C)(=O)=O)CC2)cc1	ZINC000926529035	996198495	/nfs/dbraw/zinc/19/84/95/996198495.db2.gz	BTJHUHSXLRUPFJ-HNNXBMFYSA-N	1	0	350.484	1.848	20	30		FDEDRO
Cc1ccc(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1C#N	ZINC000926859397	996346647	/nfs/dbraw/zinc/34/66/47/996346647.db2.gz	VBJZYXVXUNOCPY-UHFFFAOYSA-N	1	0	369.469	1.316	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[NH2+]CC1(C2(O)CCC2)CCC1	ZINC000886980737	996794252	/nfs/dbraw/zinc/79/42/52/996794252.db2.gz	GXCAZEQHIQAJBR-UHFFFAOYSA-N	1	0	352.434	1.961	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC1	ZINC000887028127	996838164	/nfs/dbraw/zinc/83/81/64/996838164.db2.gz	GTXRBIKCXUEOQQ-UHFFFAOYSA-N	1	0	361.417	1.340	20	30		FDEDRO
N#CCOc1cccc(NC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)c1	ZINC000887036966	996856208	/nfs/dbraw/zinc/85/62/08/996856208.db2.gz	RGPRMZCAFOANBN-IBGZPJMESA-N	1	0	356.426	1.520	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)CCOCC1	ZINC000887123243	996953653	/nfs/dbraw/zinc/95/36/53/996953653.db2.gz	GQIISZBFFJYPKY-UHFFFAOYSA-N	1	0	373.409	1.268	20	30		FDEDRO
C#CCC1([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCOCC1	ZINC000887122446	996953749	/nfs/dbraw/zinc/95/37/49/996953749.db2.gz	YSDVMNSZUGGYMI-UHFFFAOYSA-N	1	0	352.412	1.531	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)NCCOc2cccc(Cl)c2)CCOCC1	ZINC000887124387	996954390	/nfs/dbraw/zinc/95/43/90/996954390.db2.gz	BIVRXCHZNVCAIS-UHFFFAOYSA-N	1	0	350.846	1.997	20	30		FDEDRO
C=CCNc1nc(-c2cn(CCN3CC[C@H]([NH+](C)C)C3)nn2)c(C)s1	ZINC000887350232	997199031	/nfs/dbraw/zinc/19/90/31/997199031.db2.gz	ZWVLIHALQHVPHV-AWEZNQCLSA-N	1	0	361.519	1.944	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NCc1ccc(N2CCOCC2)cc1C(F)(F)F	ZINC000264076485	997396619	/nfs/dbraw/zinc/39/66/19/997396619.db2.gz	FYGRKGDGLSZSTO-LBPRGKRZSA-N	1	0	374.407	1.981	20	30		FDEDRO
[NH2+]=C(NCCCc1nc2ccccc2[nH]1)N1CCN(c2ncccn2)CC1	ZINC000264082312	997398454	/nfs/dbraw/zinc/39/84/54/997398454.db2.gz	HVDUNSZLQPCCSW-UHFFFAOYSA-N	1	0	364.457	1.422	20	30		FDEDRO
COc1ccc(OCCCNC(=[NH2+])N2CCN(c3ncccn3)CC2)cc1	ZINC000264090880	997401008	/nfs/dbraw/zinc/40/10/08/997401008.db2.gz	LAYUWIUMKMCHEM-UHFFFAOYSA-N	1	0	370.457	1.391	20	30		FDEDRO
C[C@H](C#N)CN(C)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000264496360	997525503	/nfs/dbraw/zinc/52/55/03/997525503.db2.gz	CAWNISZCOAJWOA-CRAIPNDOSA-N	1	0	371.485	1.685	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1	ZINC000264798857	997614000	/nfs/dbraw/zinc/61/40/00/997614000.db2.gz	XRNOCFRWGWYCHJ-KRWDZBQOSA-N	1	0	355.438	1.724	20	30		FDEDRO
O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCC2(CC1)CC(=O)C=CO2	ZINC000887778228	997777735	/nfs/dbraw/zinc/77/77/35/997777735.db2.gz	XJKCOPLAXRQVEW-UHFFFAOYSA-N	1	0	362.470	1.886	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)CCNC(=O)C1N=CC=CC1=O)c1ccc(F)cc1	ZINC000265406209	997782848	/nfs/dbraw/zinc/78/28/48/997782848.db2.gz	KLSDYJCLLOQNED-IJYGLTAASA-N	1	0	374.416	1.461	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)N[C@H](CC(=O)N(C)C)c2ccccc2)C1	ZINC000887915922	997944910	/nfs/dbraw/zinc/94/49/10/997944910.db2.gz	DFDMVGZHZQBTIJ-QZTJIDSGSA-N	1	0	356.470	1.603	20	30		FDEDRO
C#CCC1(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCOCC1	ZINC000889659108	998508638	/nfs/dbraw/zinc/50/86/38/998508638.db2.gz	QSUGUXVLDUSUMH-UHFFFAOYSA-N	1	0	370.497	1.810	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)ccc1C1CC1	ZINC000889801825	998669936	/nfs/dbraw/zinc/66/99/36/998669936.db2.gz	CMWNZJYMHZOACM-ZDUSSCGKSA-N	1	0	352.438	1.975	20	30		FDEDRO
CC(C)CC[NH+]1CCC(CNC(=O)C(=O)Nc2cccc(CC#N)n2)CC1	ZINC000890001479	998765102	/nfs/dbraw/zinc/76/51/02/998765102.db2.gz	ITZNEUFXKMMKLA-UHFFFAOYSA-N	1	0	371.485	1.960	20	30		FDEDRO
C=CCC1(NC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CCCC1	ZINC000890130702	998832686	/nfs/dbraw/zinc/83/26/86/998832686.db2.gz	YXADRNYABVEGDW-SFHVURJKSA-N	1	0	364.534	1.971	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)N(CCOC)CC2CC[NH+](C)CC2)C1	ZINC000890361522	998913855	/nfs/dbraw/zinc/91/38/55/998913855.db2.gz	SWFFVXYVVKNDCS-SFHVURJKSA-N	1	0	350.507	1.084	20	30		FDEDRO
N#CCc1ccccc1CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000777387423	999053712	/nfs/dbraw/zinc/05/37/12/999053712.db2.gz	VBCVFFBSTJSZRD-UHFFFAOYSA-N	1	0	354.454	1.062	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](OCC)C1CCOCC1)C2	ZINC001110866295	999077765	/nfs/dbraw/zinc/07/77/65/999077765.db2.gz	XOSJLNFVFVJHOK-YRXWBPOGSA-N	1	0	366.502	1.742	20	30		FDEDRO
C=CCOCC[NH+]1CCC2(CC1)CN(C(=O)[C@]13C[C@H]1COC3)C[C@H](C)O2	ZINC001111544546	999096463	/nfs/dbraw/zinc/09/64/63/999096463.db2.gz	WVCKUDNHMWHELX-ZWOKBUDYSA-N	1	0	364.486	1.307	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CO2	ZINC000965714535	1016295461	/nfs/dbraw/zinc/29/54/61/1016295461.db2.gz	BMDWROPQKSYLQI-HRCADAONSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=C1CC(C)(C(=O)N2CC3(C2)C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CO3)C1	ZINC000965716136	1016300232	/nfs/dbraw/zinc/30/02/32/1016300232.db2.gz	FWZSHMOOBQLNMG-BZUAXINKSA-N	1	0	361.486	1.169	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N	ZINC000267438646	999335327	/nfs/dbraw/zinc/33/53/27/999335327.db2.gz	OPFRBFHWNSWJAI-CQSZACIVSA-N	1	0	369.473	1.506	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)Cc2ccc(OC)c(O)c2)CC1	ZINC000268090663	999427369	/nfs/dbraw/zinc/42/73/69/999427369.db2.gz	KLKAXPRAIHFWRU-INIZCTEOSA-N	1	0	360.454	1.013	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)nn1CCC#N	ZINC000270994454	999646606	/nfs/dbraw/zinc/64/66/06/999646606.db2.gz	FOAIWOCVMJTARV-HNNXBMFYSA-N	1	0	374.489	1.815	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)nn1CCC#N	ZINC000271094372	999660240	/nfs/dbraw/zinc/66/02/40/999660240.db2.gz	VWIOUPMVZDWOKS-KBPBESRZSA-N	1	0	360.462	1.280	20	30		FDEDRO
C[C@@H](C[C@H](C)[NH2+]CCNC(=O)C1N=CC=CC1=O)NC(=O)OC(C)(C)C	ZINC000271430274	999701732	/nfs/dbraw/zinc/70/17/32/999701732.db2.gz	DORMDMUINHGKRW-CRQJOFGKSA-N	1	0	366.462	1.794	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C[N@@H+]1C1CC1	ZINC000271580491	999714341	/nfs/dbraw/zinc/71/43/41/999714341.db2.gz	BSODSLKYPXHMSD-YPMHNXCESA-N	1	0	358.446	1.190	20	30		FDEDRO
C#CCN(CC)C(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1	ZINC000271629789	999718845	/nfs/dbraw/zinc/71/88/45/999718845.db2.gz	FJFQOGVKSYHQTJ-UHFFFAOYSA-N	1	0	356.470	1.637	20	30		FDEDRO
CCCNC(=O)C[C@@H](C(N)=O)[N@H+](CCC)Cc1ccc(OCC#N)cc1	ZINC000273877988	999730958	/nfs/dbraw/zinc/73/09/58/999730958.db2.gz	RUEVLWXPMMXRPF-KRWDZBQOSA-N	1	0	360.458	1.571	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(F)c1	ZINC000283286738	999747887	/nfs/dbraw/zinc/74/78/87/999747887.db2.gz	OATJVMFOLWGXOL-CJNGLKHVSA-N	1	0	361.392	1.827	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c(F)c1	ZINC000283392499	999751561	/nfs/dbraw/zinc/75/15/61/999751561.db2.gz	VYZZDVSDPGAUNM-CQSZACIVSA-N	1	0	361.392	1.971	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](OC)c2ccccc2)CC1	ZINC000283721795	999760724	/nfs/dbraw/zinc/76/07/24/999760724.db2.gz	DQUMQBZVDWKAIS-SFHVURJKSA-N	1	0	359.470	1.647	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NCc1ccc(C[NH+](CC)CC)cc1	ZINC000284564563	999850784	/nfs/dbraw/zinc/85/07/84/999850784.db2.gz	DOQDCLOJOUCRKU-UHFFFAOYSA-N	1	0	361.486	1.854	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC[N@H+](C)Cc1ccccc1	ZINC000285063852	999899738	/nfs/dbraw/zinc/89/97/38/999899738.db2.gz	ORILRBHZFHSOLJ-UHFFFAOYSA-N	1	0	364.449	1.765	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccn3ccnc3c2)CC1	ZINC000286475586	999944703	/nfs/dbraw/zinc/94/47/03/999944703.db2.gz	IVZRTZXBKNTFDX-UHFFFAOYSA-N	1	0	355.442	1.107	20	30		FDEDRO
C=CC[C@H]1N(C(=O)C(=O)NCc2cnc(N(C)C)n2C)CCCC1(C)C	ZINC000286721091	999947122	/nfs/dbraw/zinc/94/71/22/999947122.db2.gz	DOWIGMYJXXKHFE-OAHLLOKOSA-N	1	0	361.490	1.696	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)Oc2cccc(C)c2)CC1	ZINC000286828929	999951756	/nfs/dbraw/zinc/95/17/56/999951756.db2.gz	XBXKKGVKMUAPHS-INIZCTEOSA-N	1	0	359.470	1.645	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCCc2c[nH]c3ccccc23)CC1	ZINC000286862063	999952963	/nfs/dbraw/zinc/95/29/63/999952963.db2.gz	ZPARAWYLUADOKL-UHFFFAOYSA-N	1	0	368.481	1.983	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C	ZINC000287287794	999956261	/nfs/dbraw/zinc/95/62/61/999956261.db2.gz	JXHKFLCGASIBNC-RDJZCZTQSA-N	1	0	359.470	1.666	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1ccnc(OC)c1)C(C)C	ZINC000287499319	999958267	/nfs/dbraw/zinc/95/82/67/999958267.db2.gz	QPZWAFWMDBSIAC-INIZCTEOSA-N	1	0	360.458	1.844	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C	ZINC000288121055	999988295	/nfs/dbraw/zinc/98/82/95/999988295.db2.gz	KBNWIRNZNHZJAA-YOEHRIQHSA-N	1	0	370.453	1.981	20	30		FDEDRO
COc1cc(/C=C/C(=O)N[C@@H](CO)C[NH+]2CCCCC2)ccc1OCC#N	ZINC000288125068	999988697	/nfs/dbraw/zinc/98/86/97/999988697.db2.gz	AIOOUXMAHWZTPQ-DBWMJRBXSA-N	1	0	373.453	1.574	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C	ZINC000288136381	999989997	/nfs/dbraw/zinc/98/99/97/999989997.db2.gz	OIINSPRSCSQSRG-GDBMZVCRSA-N	1	0	373.428	1.861	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1)C(C)(C)C	ZINC000288473936	1000020010	/nfs/dbraw/zinc/02/00/10/1000020010.db2.gz	SAUQVDUOTWTWHK-GOSISDBHSA-N	1	0	370.497	1.931	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1	ZINC000288509670	1000023021	/nfs/dbraw/zinc/02/30/21/1000023021.db2.gz	SQXKWDTZGHHZMW-UHFFFAOYSA-N	1	0	373.497	1.684	20	30		FDEDRO
C=CCCCNC(=O)C(=O)N1CCCN(Cc2ccc(OC)cc2)CC1	ZINC000288629052	1000032959	/nfs/dbraw/zinc/03/29/59/1000032959.db2.gz	RJZOYEXDPDTHCF-UHFFFAOYSA-N	1	0	359.470	1.812	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cncc(C#N)c1	ZINC000289372530	1000094415	/nfs/dbraw/zinc/09/44/15/1000094415.db2.gz	BOLBBUBKTXZMSQ-UHFFFAOYSA-N	1	0	369.450	1.577	20	30		FDEDRO
C=CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000289691945	1000113608	/nfs/dbraw/zinc/11/36/08/1000113608.db2.gz	NUPSEKSCSIYPNZ-INIZCTEOSA-N	1	0	374.533	1.796	20	30		FDEDRO
C=CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C	ZINC000290329607	1000132961	/nfs/dbraw/zinc/13/29/61/1000132961.db2.gz	IUQXUKXWOJRXIP-HOTGVXAUSA-N	1	0	360.506	1.867	20	30		FDEDRO
C=CCn1c(-c2cccnc2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1	ZINC000290423738	1000137094	/nfs/dbraw/zinc/13/70/94/1000137094.db2.gz	QDAWJVGSTMDUDZ-GOSISDBHSA-N	1	0	367.501	1.742	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)C1CCN(C(=O)OCC)CC1	ZINC000777641830	1001039631	/nfs/dbraw/zinc/03/96/31/1001039631.db2.gz	WKRLWDYTFXGRQD-QWHCGFSZSA-N	1	0	354.451	1.233	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N[C@H](C)[C@@H]3CCC[NH2+]C3)cc21	ZINC000927793986	1001052004	/nfs/dbraw/zinc/05/20/04/1001052004.db2.gz	KHPXJGLPTAJZDF-ZIAGYGMSSA-N	1	0	355.442	1.665	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)NCCC3=CC[NH2+]CC3)cc21	ZINC000927804407	1001064869	/nfs/dbraw/zinc/06/48/69/1001064869.db2.gz	XOCVXBXYIIFKMM-UHFFFAOYSA-N	1	0	353.426	1.587	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c1	ZINC000927850145	1001118423	/nfs/dbraw/zinc/11/84/23/1001118423.db2.gz	ZNFAKXPWTRRUBO-UONOGXRCSA-N	1	0	369.343	1.375	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)c1	ZINC000927876779	1001171234	/nfs/dbraw/zinc/17/12/34/1001171234.db2.gz	QNRXDFQFWUWTKK-KRWDZBQOSA-N	1	0	373.453	1.546	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2	ZINC000927926894	1001221336	/nfs/dbraw/zinc/22/13/36/1001221336.db2.gz	IHWLKLCUDGKLAP-IBGZPJMESA-N	1	0	357.458	1.798	20	30		FDEDRO
C=CCOC(=O)[C@H](CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)OC(C)(C)C	ZINC000928428726	1001518456	/nfs/dbraw/zinc/51/84/56/1001518456.db2.gz	SSDWSBDSCPYDLV-MCIONIFRSA-N	1	0	369.462	1.208	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CCN(C(=O)OCc3ccccc3)C2)CC1	ZINC000928652747	1001609809	/nfs/dbraw/zinc/60/98/09/1001609809.db2.gz	KRHFDVJTCGJQHW-GOSISDBHSA-N	1	0	369.465	1.859	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cn3ccc(Br)cc3n2)CC1	ZINC000928653149	1001610613	/nfs/dbraw/zinc/61/06/13/1001610613.db2.gz	AXEYTCOCNSROFC-UHFFFAOYSA-N	1	0	361.243	1.924	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@]2(C)CCCN2C(=O)c2ccccc2)CC1	ZINC000928655179	1001611156	/nfs/dbraw/zinc/61/11/56/1001611156.db2.gz	MPMGPSCRNILYMN-OAQYLSRUSA-N	1	0	353.466	1.895	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)N2CCSCC2)CC1	ZINC000928656703	1001612745	/nfs/dbraw/zinc/61/27/45/1001612745.db2.gz	BVCCCLRFCGAMHS-LJQANCHMSA-N	1	0	357.523	1.990	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccc(OCc3noc(C)n3)cc2)CC1	ZINC000928659283	1001614589	/nfs/dbraw/zinc/61/45/89/1001614589.db2.gz	JKHVCNAUDNDYLZ-UHFFFAOYSA-N	1	0	354.410	1.784	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H](CCOC)NC(=O)OC(C)(C)C)CC1	ZINC000928659915	1001615217	/nfs/dbraw/zinc/61/52/17/1001615217.db2.gz	DRFFDEXIJNFAFN-OAHLLOKOSA-N	1	0	353.463	1.130	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H](F)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000928661457	1001615800	/nfs/dbraw/zinc/61/58/00/1001615800.db2.gz	WXVGOBCNWAGWPZ-HOCLYGCPSA-N	1	0	367.465	1.795	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2nn(CC(C)C)c(=O)c3ccccc32)CC1	ZINC000928660426	1001616027	/nfs/dbraw/zinc/61/60/27/1001616027.db2.gz	DQRZIIFLUSGPFY-UHFFFAOYSA-N	1	0	366.465	1.880	20	30		FDEDRO
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1	ZINC000928717709	1001634545	/nfs/dbraw/zinc/63/45/45/1001634545.db2.gz	XRAUMQIGOAYUDH-KRWDZBQOSA-N	1	0	371.485	1.715	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCCSc1ccccc1)C1CC[NH+](C)CC1	ZINC000929237627	1001839580	/nfs/dbraw/zinc/83/95/80/1001839580.db2.gz	UNUVXYNIZRGTAY-UHFFFAOYSA-N	1	0	359.495	1.451	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN(C)C(=O)c1ccccc1)C2	ZINC001110974380	1002221772	/nfs/dbraw/zinc/22/17/72/1002221772.db2.gz	ZJNKGCMHXUDXEC-QRVBRYPASA-N	1	0	371.481	1.683	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2CC(F)(F)C2)C[C@H]1C	ZINC000948280316	1002223053	/nfs/dbraw/zinc/22/30/53/1002223053.db2.gz	UHRKDVXFSDCNQE-YUELXQCFSA-N	1	0	353.413	1.092	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](C)C	ZINC000076227874	1002325866	/nfs/dbraw/zinc/32/58/66/1002325866.db2.gz	HGXSTKNHXCCALY-HNNXBMFYSA-N	1	0	363.433	1.869	20	30		FDEDRO
C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1C#N	ZINC001111277226	1002469787	/nfs/dbraw/zinc/46/97/87/1002469787.db2.gz	HIRIKNNUAXZQCH-QRVBRYPASA-N	1	0	356.470	1.358	20	30		FDEDRO
C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(F)c(C#N)c1	ZINC001111277581	1002501555	/nfs/dbraw/zinc/50/15/55/1002501555.db2.gz	YPRNGKLKTBMYOJ-QRQLOZEOSA-N	1	0	374.460	1.497	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccc(CN3CCOC3=O)cc2)CC1	ZINC000929851842	1002518324	/nfs/dbraw/zinc/51/83/24/1002518324.db2.gz	DAJDAKIWZXFYNL-UHFFFAOYSA-N	1	0	356.426	1.858	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3CCC)[C@@H](O)C2)CC1	ZINC000965977484	1016644135	/nfs/dbraw/zinc/64/41/35/1016644135.db2.gz	CKUDMPRFLCAEHN-KURKYZTESA-N	1	0	363.502	1.295	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](Cc2cnnn2CC)CC1	ZINC000948785517	1002689415	/nfs/dbraw/zinc/68/94/15/1002689415.db2.gz	LRANNINGJOJIQS-JQHSSLGASA-N	1	0	361.490	1.702	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CC(=O)N(C)C)CC1	ZINC000948852125	1002759004	/nfs/dbraw/zinc/75/90/04/1002759004.db2.gz	HZEQTLKSIJMZQG-RYRKJORJSA-N	1	0	351.491	1.369	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)c1ccncc1	ZINC000930121334	1002841167	/nfs/dbraw/zinc/84/11/67/1002841167.db2.gz	CMDRLOQJBWJKCP-MSOLQXFVSA-N	1	0	372.469	1.185	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[N@H+]2CCN(CCC(=O)OC)C[C@@H]2C)cc1	ZINC000930236175	1002955536	/nfs/dbraw/zinc/95/55/36/1002955536.db2.gz	JGYOISDVKVLQHR-INIZCTEOSA-N	1	0	357.454	1.566	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)CC1	ZINC000930372094	1003065083	/nfs/dbraw/zinc/06/50/83/1003065083.db2.gz	ZMCLAZSDZYVDAI-UHFFFAOYSA-N	1	0	367.446	1.589	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)cc1	ZINC000949208637	1003102657	/nfs/dbraw/zinc/10/26/57/1003102657.db2.gz	WGCIUTUHQMREBO-VQIMIIECSA-N	1	0	369.465	1.371	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCOC2(CC[NH+](C[C@H](C)O)CC2)C1	ZINC000949209651	1003103351	/nfs/dbraw/zinc/10/33/51/1003103351.db2.gz	NGORIOVDWKIOIM-ULQDDVLXSA-N	1	0	352.475	1.042	20	30		FDEDRO
CC1(C)Oc2ccsc2[C@H]([NH2+]C[C@H](O)CC2(C#N)CCOCC2)[C@H]1O	ZINC000930547761	1003257399	/nfs/dbraw/zinc/25/73/99/1003257399.db2.gz	WJFBKFXOEMHNDR-IVMMDQJWSA-N	1	0	366.483	1.982	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC1)C[N@H+](CCOC)CCO2	ZINC000949369910	1003266212	/nfs/dbraw/zinc/26/62/12/1003266212.db2.gz	GHWYPYFDDHJBCL-SJORKVTESA-N	1	0	352.475	1.307	20	30		FDEDRO
C=C(C)CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1	ZINC000949388504	1003287563	/nfs/dbraw/zinc/28/75/63/1003287563.db2.gz	CKSOGCIZJRHVRF-IRXDYDNUSA-N	1	0	352.475	1.450	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1	ZINC000966231335	1016756991	/nfs/dbraw/zinc/75/69/91/1016756991.db2.gz	CNXCBAVSIYRJRI-BBWFWOEESA-N	1	0	365.518	1.255	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(CC1)C[N@H+](CCO)CCO2	ZINC000949489806	1003391823	/nfs/dbraw/zinc/39/18/23/1003391823.db2.gz	RDIQDNLATOCRKT-IRXDYDNUSA-N	1	0	352.475	1.043	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@]2(CO[C@@H](C[N@@H+]3CC[C@@](O)(CC#N)C3)C2)C1	ZINC000930818650	1003544291	/nfs/dbraw/zinc/54/42/91/1003544291.db2.gz	KOFFUHIZXURSPC-LZQZEXGQSA-N	1	0	365.474	1.753	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H](C1CC1)[C@@H]1CCCCO1)C1CC[NH+](C)CC1	ZINC000930950101	1003699508	/nfs/dbraw/zinc/69/95/08/1003699508.db2.gz	MUQDZZBLPOIQTG-ROUUACIJSA-N	1	0	361.486	1.006	20	30		FDEDRO
C#CC[N@@H+](C[C@H](O)CC1(O)CCC(C(=O)OCC)CC1)C1CSC1	ZINC000930960593	1003719984	/nfs/dbraw/zinc/71/99/84/1003719984.db2.gz	MYFFSDOFUFDZJU-BFHRDPOASA-N	1	0	355.500	1.272	20	30		FDEDRO
C#CC[N@@H+](C[C@@H](O)CC1(O)CCC(C(=O)OCC)CC1)C1CSC1	ZINC000930960594	1003720206	/nfs/dbraw/zinc/72/02/06/1003720206.db2.gz	MYFFSDOFUFDZJU-HQVVEAJESA-N	1	0	355.500	1.272	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCOC	ZINC000930988118	1003745236	/nfs/dbraw/zinc/74/52/36/1003745236.db2.gz	LBKDMSXJPULPJZ-UHFFFAOYSA-N	1	0	372.469	1.689	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3cnccc3C)C2)CC1	ZINC000949864819	1003759020	/nfs/dbraw/zinc/75/90/20/1003759020.db2.gz	LCWJAHUYHJIEIL-VQIMIIECSA-N	1	0	368.481	1.312	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2n[nH]cc2C(=O)OCC)C1	ZINC000931008646	1003766824	/nfs/dbraw/zinc/76/68/24/1003766824.db2.gz	VMQLZYCVBPEIJM-HUUCEWRRSA-N	1	0	360.458	1.965	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccc(C(N)=O)c(OC(C)C)c2)CC1	ZINC000931146089	1003922770	/nfs/dbraw/zinc/92/27/70/1003922770.db2.gz	YANKVJBRLMRFNR-UHFFFAOYSA-N	1	0	358.442	1.792	20	30		FDEDRO
C#CC1(O)CC[NH+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1	ZINC000931145508	1003922806	/nfs/dbraw/zinc/92/28/06/1003922806.db2.gz	SKTDSRQZVOMBRG-UHFFFAOYSA-N	1	0	359.445	1.325	20	30		FDEDRO
CC1(C)CN(C(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)CCO1	ZINC000931259038	1004000253	/nfs/dbraw/zinc/00/02/53/1004000253.db2.gz	VYYLYLKNQGGCBG-UHFFFAOYSA-N	1	0	357.454	1.791	20	30		FDEDRO
COc1c(NC(=O)NCC#CC[NH+](C)C)cc(Cl)cc1C(=O)N(C)C	ZINC000931342159	1004071597	/nfs/dbraw/zinc/07/15/97/1004071597.db2.gz	UJBUMJASOTVWMZ-UHFFFAOYSA-N	1	0	366.849	1.737	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)NCc1cc(C#N)ccc1F)[N@@H+]1CCC[C@@H](C)C1	ZINC000931593255	1004296359	/nfs/dbraw/zinc/29/63/59/1004296359.db2.gz	VUJSKYABJMSJJO-ZIAGYGMSSA-N	1	0	360.433	1.550	20	30		FDEDRO
C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NCc2cc(C#N)ccc2F)C1	ZINC000931594832	1004299034	/nfs/dbraw/zinc/29/90/34/1004299034.db2.gz	STELLHABIMANHP-INIZCTEOSA-N	1	0	372.444	1.504	20	30		FDEDRO
CC1([NH+]2CCCC2)CCN(C(=O)C(=O)NCc2cc(C#N)ccc2F)CC1	ZINC000931597555	1004301968	/nfs/dbraw/zinc/30/19/68/1004301968.db2.gz	BSRVXYLIKLELQQ-UHFFFAOYSA-N	1	0	372.444	1.790	20	30		FDEDRO
C=CCC1(O)CC[NH+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1	ZINC000931750910	1004473196	/nfs/dbraw/zinc/47/31/96/1004473196.db2.gz	RRQBKDVGFXDUMH-OAHLLOKOSA-N	1	0	374.547	1.391	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H](c1ccccn1)C1CC1)C1CC[NH+](C)CC1	ZINC000931931281	1004617428	/nfs/dbraw/zinc/61/74/28/1004617428.db2.gz	VOAWDGWTGHUHGN-SFHVURJKSA-N	1	0	354.454	1.205	20	30		FDEDRO
Cc1nc([C@@H]2CCN(CC#CCN3CC[C@@H](c4noc(C)n4)C3)C2)no1	ZINC000931935219	1004620248	/nfs/dbraw/zinc/62/02/48/1004620248.db2.gz	KZMAXDADKPSTMS-HZPDHXFCSA-N	1	0	356.430	1.352	20	30		FDEDRO
C[C@@]1(C2CC[NH+](C[C@H](O)CC3(C#N)CCOCC3)CC2)COC(=O)N1	ZINC000932102880	1004771458	/nfs/dbraw/zinc/77/14/58/1004771458.db2.gz	PRGBVIJNTUYHQV-WBVHZDCISA-N	1	0	351.447	1.268	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC(=O)N(c3cnn(C)c3)C2)CC1	ZINC000932142924	1004791751	/nfs/dbraw/zinc/79/17/51/1004791751.db2.gz	JJBTVLHAQPQEQE-OAHLLOKOSA-N	1	0	359.474	1.320	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CCc2cccc(S(N)(=O)=O)c2)CC1	ZINC000932143736	1004792666	/nfs/dbraw/zinc/79/26/66/1004792666.db2.gz	HPHHDPYSIFXCLO-UHFFFAOYSA-N	1	0	365.499	1.423	20	30		FDEDRO
CCO[C@H](CNC(=O)Nc1ccc(Br)c(C#N)n1)C[NH+](C)C	ZINC000932160307	1004800194	/nfs/dbraw/zinc/80/01/94/1004800194.db2.gz	WRFPEPSDHBHAET-SNVBAGLBSA-N	1	0	370.251	1.804	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)Cn2nc(C(F)(F)F)c3c2CCOC3)CC1	ZINC000932179008	1004810967	/nfs/dbraw/zinc/81/09/67/1004810967.db2.gz	WBOCRNVOMUOKDH-UHFFFAOYSA-N	1	0	371.363	1.079	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2cnc(OC)c(C#N)c2)C1	ZINC000932512610	1004995770	/nfs/dbraw/zinc/99/57/70/1004995770.db2.gz	BSMZPHNDNJBAEE-INIZCTEOSA-N	1	0	361.446	1.926	20	30		FDEDRO
O=C1N[C@@H](C2CC[NH+](CC#CCN3C(=O)c4ccccc4C3=O)CC2)CO1	ZINC000932770007	1005159595	/nfs/dbraw/zinc/15/95/95/1005159595.db2.gz	CNNOMBZRBBRMCE-QGZVFWFLSA-N	1	0	367.405	1.106	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCC[C@@H]1CCC2(CCC2)O1)C1CC[NH+](C)CC1	ZINC000933062714	1005338963	/nfs/dbraw/zinc/33/89/63/1005338963.db2.gz	ZCZJWIQPGLPLQY-KRWDZBQOSA-N	1	0	361.486	1.150	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)N3CN(CC[NH+](C)C)C(=O)[C@@H]3C)cc21	ZINC000933084242	1005343912	/nfs/dbraw/zinc/34/39/12/1005343912.db2.gz	OQLVVLUMPSLCHW-AWEZNQCLSA-N	1	0	370.457	1.806	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@@](C)(CO)Cc2ccc(Cl)cc2)CC1	ZINC000933445018	1005558541	/nfs/dbraw/zinc/55/85/41/1005558541.db2.gz	AOQGZAXUJJMWHC-LJQANCHMSA-N	1	0	363.889	1.001	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(CN3CCNC3=O)CC2)cc1	ZINC000933592046	1005585679	/nfs/dbraw/zinc/58/56/79/1005585679.db2.gz	BKFPKFBRTCHZSC-KRWDZBQOSA-N	1	0	358.442	1.035	20	30		FDEDRO
CC(=O)N[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccc(C#N)s1)C2	ZINC001111575755	1005667266	/nfs/dbraw/zinc/66/72/66/1005667266.db2.gz	LSKWHUVQUGIQBZ-IAISJRAMSA-N	1	0	360.483	1.615	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[NH2+]C1(c2ccc3c(c2)OCCO3)CC1	ZINC000934001310	1005678102	/nfs/dbraw/zinc/67/81/02/1005678102.db2.gz	FJWUCRFQSVUYRP-UHFFFAOYSA-N	1	0	354.410	1.692	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H]3[C@H]2CCCN3CCO)cc1	ZINC000934253672	1005721612	/nfs/dbraw/zinc/72/16/12/1005721612.db2.gz	GPHIMIQGQVOEFN-RLLQIKCJSA-N	1	0	359.470	1.023	20	30		FDEDRO
N#CCCN(C(=O)CN1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)c1ccccc1	ZINC000934254956	1005722231	/nfs/dbraw/zinc/72/22/31/1005722231.db2.gz	GEUYFLRNNNJFQB-RBUKOAKNSA-N	1	0	356.470	1.464	20	30		FDEDRO
N#Cc1ccc(-c2nnc(CN3CC[C@@H]4[C@H]3CCC[N@H+]4CCO)o2)cc1	ZINC000934263042	1005724734	/nfs/dbraw/zinc/72/47/34/1005724734.db2.gz	MVMFZACURYEXPN-IAGOWNOFSA-N	1	0	353.426	1.639	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@H](C)[C@H](OC)c2ccccc2Cl)CC1	ZINC000778242957	1005736911	/nfs/dbraw/zinc/73/69/11/1005736911.db2.gz	IOCJWGNGYATTQR-BEFAXECRSA-N	1	0	363.889	1.783	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1	ZINC000947132155	1005749556	/nfs/dbraw/zinc/74/95/56/1005749556.db2.gz	RXJABXANGFBBAT-MSOLQXFVSA-N	1	0	363.502	1.559	20	30		FDEDRO
CN(C)[S@](C)(=O)=NCC1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1	ZINC000934756797	1005793951	/nfs/dbraw/zinc/79/39/51/1005793951.db2.gz	WNHCIIIBKPHSCV-IQGLISFBSA-N	1	0	364.515	1.878	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2	ZINC001111098433	1005926120	/nfs/dbraw/zinc/92/61/20/1005926120.db2.gz	DFDWTPMKJRIEDA-BDXSIMOUSA-N	1	0	362.518	1.273	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC3(C1)NC(=O)NC3=O)C2	ZINC001111130634	1006343888	/nfs/dbraw/zinc/34/38/88/1006343888.db2.gz	AVBIYXVDECZVMC-QXTOKDQQSA-N	1	0	374.485	1.443	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)C1CCOCC1)C2	ZINC001111164408	1006553618	/nfs/dbraw/zinc/55/36/18/1006553618.db2.gz	XXJOHINIGGDYBN-DDBAPUKQSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC(C)(C)C)C2	ZINC001111168350	1006575711	/nfs/dbraw/zinc/57/57/11/1006575711.db2.gz	ORJOAZIWAPUPBF-KFWWJZLASA-N	1	0	364.490	1.546	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)CC1	ZINC000155862666	1006735378	/nfs/dbraw/zinc/73/53/78/1006735378.db2.gz	MZHGUPLKSFNZRY-UHFFFAOYSA-N	1	0	365.481	1.552	20	30		FDEDRO
C[NH+]=C(NCc1ccnc(C)n1)N1CCC(OC[C@H]2CCCCO2)CC1	ZINC000156162781	1006769817	/nfs/dbraw/zinc/76/98/17/1006769817.db2.gz	ZEAUBHVZTNQUAC-GOSISDBHSA-N	1	0	361.490	1.911	20	30		FDEDRO
C[NH+]=C(NCc1ccnc(C)n1)N1CCC(OC[C@@H]2CCCCO2)CC1	ZINC000156162645	1006770311	/nfs/dbraw/zinc/77/03/11/1006770311.db2.gz	ZEAUBHVZTNQUAC-SFHVURJKSA-N	1	0	361.490	1.911	20	30		FDEDRO
N#Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C(=O)NCC2CC2)C3)s1	ZINC001111194825	1006791280	/nfs/dbraw/zinc/79/12/80/1006791280.db2.gz	GGGRFIQEPOZZHZ-WQVCFCJDSA-N	1	0	358.467	1.367	20	30		FDEDRO
C#Cc1cccc(N(C)C(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)c1	ZINC000246438051	1006977733	/nfs/dbraw/zinc/97/77/33/1006977733.db2.gz	NOIHASUOUDODOR-PKOBYXMFSA-N	1	0	353.466	1.964	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1csc(Cl)n1)C2	ZINC001111231879	1006990209	/nfs/dbraw/zinc/99/02/09/1006990209.db2.gz	VIOXWBINWDBPDO-UZWSLXQKSA-N	1	0	366.874	1.270	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cn(C)nc2-c2cnn(CC)c2)CC1	ZINC000778911342	1006992032	/nfs/dbraw/zinc/99/20/32/1006992032.db2.gz	NULTXCUYZHTVGM-UHFFFAOYSA-N	1	0	354.458	1.521	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)Cn2cc(C(C)(C)[NH2+]C)nn2)c(OC)c1	ZINC000641208750	1007017445	/nfs/dbraw/zinc/01/74/45/1007017445.db2.gz	SUNLWBNINPPEFJ-OAHLLOKOSA-N	1	0	360.458	1.910	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1nc3cc[nH]cc-3n1)C2	ZINC001111244606	1007067240	/nfs/dbraw/zinc/06/72/40/1007067240.db2.gz	LLKZUEYLJVOCKX-KYJSFNMBSA-N	1	0	369.469	1.815	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCc2ccccc21)N[C@H]1CCc2nc(COC)nn2C1	ZINC000159095584	1007106520	/nfs/dbraw/zinc/10/65/20/1007106520.db2.gz	LRMGIMQQUGAZLG-HOTGVXAUSA-N	1	0	368.485	1.634	20	30		FDEDRO
C=CCC[C@@H](CO)[NH2+]Cc1cn(C)nc1CN1C(=O)c2ccccc2C1=O	ZINC000641759539	1007134835	/nfs/dbraw/zinc/13/48/35/1007134835.db2.gz	FYWHFABNRYMNJD-HNNXBMFYSA-N	1	0	368.437	1.633	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1	ZINC000955364984	1007386481	/nfs/dbraw/zinc/38/64/81/1007386481.db2.gz	AAVQXRGCZQUHQO-JQHSSLGASA-N	1	0	363.502	1.510	20	30		FDEDRO
C=CCc1cc(C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)c(O)c(OC)c1	ZINC000795658985	1007501178	/nfs/dbraw/zinc/50/11/78/1007501178.db2.gz	RNYIYHHOVGIKBX-INIZCTEOSA-N	1	0	368.499	1.985	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000957013708	1007529032	/nfs/dbraw/zinc/52/90/32/1007529032.db2.gz	IBBQCIUFUSTTDS-FCEWJHQRSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1	ZINC000956385903	1008076327	/nfs/dbraw/zinc/07/63/27/1008076327.db2.gz	UMRJGDFGYXOITH-BBWFWOEESA-N	1	0	363.502	1.417	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC2(C)CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC[N@@H+]1C	ZINC000956389048	1008101840	/nfs/dbraw/zinc/10/18/40/1008101840.db2.gz	XDSRVHVQEPSLEJ-DOTOQJQBSA-N	1	0	371.485	1.728	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC000957361756	1008224326	/nfs/dbraw/zinc/22/43/26/1008224326.db2.gz	NBBGJQNXMUEGDM-SJKOYZFVSA-N	1	0	362.393	1.425	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C	ZINC000949943492	1008544441	/nfs/dbraw/zinc/54/44/41/1008544441.db2.gz	BVHLPKNTTSYNCY-VQIMIIECSA-N	1	0	367.493	1.658	20	30		FDEDRO
C=CCn1cc(C(=O)N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)nn1	ZINC000648814683	1008648968	/nfs/dbraw/zinc/64/89/68/1008648968.db2.gz	NPBBVIIJMDNFMC-UHFFFAOYSA-N	1	0	374.533	1.732	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@]23C[C@H]2COC3)cc1C#N	ZINC000959989744	1009265685	/nfs/dbraw/zinc/26/56/85/1009265685.db2.gz	FLXPWDDEBOKVLN-IMDBMMJGSA-N	1	0	353.422	1.150	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2csnc2C)C1	ZINC000950648590	1009468487	/nfs/dbraw/zinc/46/84/87/1009468487.db2.gz	SKYRBPSYOADKNN-WQVCFCJDSA-N	1	0	360.483	1.126	20	30		FDEDRO
C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC000950701061	1009534144	/nfs/dbraw/zinc/53/41/44/1009534144.db2.gz	PGGLZXXLGUQJCO-RHSMWYFYSA-N	1	0	369.469	1.339	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](CCCC)C(N)=O	ZINC001111319860	1009581089	/nfs/dbraw/zinc/58/10/89/1009581089.db2.gz	JOFPNSZOPQQEQB-YSTOQKLRSA-N	1	0	367.493	1.976	20	30		FDEDRO
CC(C)(C)OC(=O)NCCNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000303782694	1009581175	/nfs/dbraw/zinc/58/11/75/1009581175.db2.gz	NKVISNXXIZFMQT-UHFFFAOYSA-N	1	0	371.482	1.379	20	30		FDEDRO
N#Cc1nccc(NC2CC[NH+](CCNC(=O)[C@@H]3C[C@H]3C3CCC3)CC2)n1	ZINC001111323702	1009615551	/nfs/dbraw/zinc/61/55/51/1009615551.db2.gz	QZZLENHJHYFPIR-DLBZAZTESA-N	1	0	368.485	1.199	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c(cn1)OCCC3)C2	ZINC001111326933	1009631858	/nfs/dbraw/zinc/63/18/58/1009631858.db2.gz	KUOXCTQMBQAMJT-NUJGCVRESA-N	1	0	357.454	1.944	20	30		FDEDRO
[NH2+]=C(NCCC(=O)N1CCN(c2ccc(F)cc2)CC1)NCC1CCC1	ZINC000303875347	1009646199	/nfs/dbraw/zinc/64/61/99/1009646199.db2.gz	HPCCMTMWVZDENA-UHFFFAOYSA-N	1	0	361.465	1.569	20	30		FDEDRO
CC[C@H](CNC(NCCN1CCOCC1)=[NH+]C)N1CCc2ccccc2C1	ZINC000303877441	1009647623	/nfs/dbraw/zinc/64/76/23/1009647623.db2.gz	FGSGKWCNDHMYAD-HXUWFJFHSA-N	1	0	373.545	1.321	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCCc2c(C)nn(C)c2C)cc1OC	ZINC000303896247	1009679989	/nfs/dbraw/zinc/67/99/89/1009679989.db2.gz	UIWOZKFFJJYKRH-UHFFFAOYSA-N	1	0	359.474	1.744	20	30		FDEDRO
C[C@@H]1CN(c2ccc(CNC(=[NH2+])NCCc3ccccc3)cn2)CCO1	ZINC000303898831	1009683354	/nfs/dbraw/zinc/68/33/54/1009683354.db2.gz	RFVUKSUPBXFNME-MRXNPFEDSA-N	1	0	353.470	1.954	20	30		FDEDRO
CCCCOc1ccc(CCNC(NCCN2CCOCC2)=[NH+]C)cc1	ZINC000303907665	1009687946	/nfs/dbraw/zinc/68/79/46/1009687946.db2.gz	XAFPDLJIUXHNIV-UHFFFAOYSA-N	1	0	362.518	1.905	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@H]2CCCNC2=O)CCOCC1	ZINC001111332643	1009712594	/nfs/dbraw/zinc/71/25/94/1009712594.db2.gz	JGNYEKKSFQWDHN-NCOADZHNSA-N	1	0	361.486	1.359	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCC(=O)Nc2cccc(F)c2)cc1OC	ZINC000303972479	1009784646	/nfs/dbraw/zinc/78/46/46/1009784646.db2.gz	FTXVJJYIDOAXDK-UHFFFAOYSA-N	1	0	360.389	1.886	20	30		FDEDRO
CN(C)C(NCc1ccccc1)=[NH+]CC(=O)N(C)CCc1ccccn1	ZINC000303977047	1009788454	/nfs/dbraw/zinc/78/84/54/1009788454.db2.gz	KTKVUSXSQJLQIV-UHFFFAOYSA-N	1	0	353.470	1.790	20	30		FDEDRO
C=CCc1cc(C(=O)NC[C@@](C)(O)CC[NH+](C)C)cc(OC)c1OC	ZINC000779544437	1009942457	/nfs/dbraw/zinc/94/24/57/1009942457.db2.gz	MFUXMDPTYWPDRT-IBGZPJMESA-N	1	0	350.459	1.865	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C	ZINC000950874826	1009975767	/nfs/dbraw/zinc/97/57/67/1009975767.db2.gz	VGVLEGWTISFJRW-NXHRZFHOSA-N	1	0	368.437	1.565	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CC[NH2+]C4(CCC4)C3)cc2C1=O	ZINC000648181838	1010295268	/nfs/dbraw/zinc/29/52/68/1010295268.db2.gz	RXGPEWVVHSVTJL-CQSZACIVSA-N	1	0	353.422	1.873	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)c(C)c1)C2	ZINC001111344025	1010341657	/nfs/dbraw/zinc/34/16/57/1010341657.db2.gz	NNALPNKPBZQJDO-OWYHZJEWSA-N	1	0	353.466	1.776	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1	ZINC000951297744	1010703209	/nfs/dbraw/zinc/70/32/09/1010703209.db2.gz	JCPUHPAGEOMICC-SZMVWBNQSA-N	1	0	368.437	1.646	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC000951421536	1010824110	/nfs/dbraw/zinc/82/41/10/1010824110.db2.gz	RJRSSJYQRXAREA-BBWFWOEESA-N	1	0	361.486	1.171	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CC1	ZINC000951523346	1010916383	/nfs/dbraw/zinc/91/63/83/1010916383.db2.gz	CKTBCYQXQMNWFS-LWYYNNOASA-N	1	0	371.525	1.875	20	30		FDEDRO
C[NH+](C)CCCNC(=S)NN=C1CCN(CCC(F)(F)F)CC1	ZINC000779778050	1011001788	/nfs/dbraw/zinc/00/17/88/1011001788.db2.gz	YRNKAQAGXSNKCI-UHFFFAOYSA-N	1	0	353.458	1.806	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN(C)C(=O)CCN2CC[NH+](CC)CC2)c1	ZINC000194675194	1011311069	/nfs/dbraw/zinc/31/10/69/1011311069.db2.gz	PULWBLVOHBKXOY-UHFFFAOYSA-N	1	0	356.470	1.092	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1C(N)=O	ZINC000960873267	1011586046	/nfs/dbraw/zinc/58/60/46/1011586046.db2.gz	DJOFDHPCPQZXLK-BBWFWOEESA-N	1	0	370.453	1.111	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCCC1	ZINC000963117872	1011852602	/nfs/dbraw/zinc/85/26/02/1011852602.db2.gz	WJEGDNFPJFDSIB-BDXSIMOUSA-N	1	0	361.486	1.265	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3C(=O)C#CC2CC2)CC[N@@H+]1C	ZINC000963160169	1011941451	/nfs/dbraw/zinc/94/14/51/1011941451.db2.gz	YRIIZVQPYJUATH-WJFTUGDTSA-N	1	0	357.498	1.722	20	30		FDEDRO
Cn1nccc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC000961331914	1012260031	/nfs/dbraw/zinc/26/00/31/1012260031.db2.gz	QPVYTSNONAKOCX-KLBVCGFUSA-N	1	0	361.449	1.642	20	30		FDEDRO
C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)C1	ZINC000961411365	1012347639	/nfs/dbraw/zinc/34/76/39/1012347639.db2.gz	MGPBNVQXMNHNEP-CEXWTWQISA-N	1	0	359.514	1.862	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@H]32)CC[N@@H+]1C	ZINC000963757945	1012649983	/nfs/dbraw/zinc/64/99/83/1012649983.db2.gz	QOIDQJOSTWCQHI-NOVWEMISSA-N	1	0	369.469	1.290	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C2CC3(CC(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)s1	ZINC000963786209	1012691321	/nfs/dbraw/zinc/69/13/21/1012691321.db2.gz	AYEZTNCNIAMKEE-PBVSXMEJSA-N	1	0	360.439	1.802	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1	ZINC000963846524	1012772005	/nfs/dbraw/zinc/77/20/05/1012772005.db2.gz	QGMWHBHOFOQZDA-RZFLPCETSA-N	1	0	363.502	1.367	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(C[C@H]2NC(=O)C[NH+]2CCCC2)CC1	ZINC000963873980	1012881111	/nfs/dbraw/zinc/88/11/11/1012881111.db2.gz	QCRLVNQDJAHSPZ-IXDOHACOSA-N	1	0	361.486	1.171	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3CC2)CC[N@@H+]1C	ZINC000967351630	1017413351	/nfs/dbraw/zinc/41/33/51/1017413351.db2.gz	CIPJHWVIQLIAFV-IECFSIQFSA-N	1	0	360.502	1.573	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)CC[C@@H]3C2)CC[N@@H+]1C	ZINC000967381754	1017449543	/nfs/dbraw/zinc/44/95/43/1017449543.db2.gz	LZAHCJZEEMPZPB-IECFSIQFSA-N	1	0	360.502	1.573	20	30		FDEDRO
CCOC(=O)N1CCC([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000190605087	178013193	/nfs/dbraw/zinc/01/31/93/178013193.db2.gz	OUBRNKBKVGRGEF-GOSISDBHSA-N	1	0	370.453	1.870	20	30		FDEDRO
N#CCCn1cc(C[NH2+]C[C@@H]2CS(=O)(=O)CCO2)c(-c2ccccc2)n1	ZINC000507832435	538923313	/nfs/dbraw/zinc/92/33/13/538923313.db2.gz	BIZQWAQZJOZJRC-QGZVFWFLSA-N	1	0	374.466	1.367	20	30		FDEDRO
CNC(=O)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1	ZINC000192245033	178105221	/nfs/dbraw/zinc/10/52/21/178105221.db2.gz	VQCJEGOTJSLFTI-LJQANCHMSA-N	1	0	362.433	1.809	20	30		FDEDRO
C[N@H+](CCN1CCN(C(=O)c2ccnc(C#N)c2)CC1)Cc1ccccc1	ZINC000193163992	178150602	/nfs/dbraw/zinc/15/06/02/178150602.db2.gz	CDTJTUFQQATGMH-UHFFFAOYSA-N	1	0	363.465	1.843	20	30		FDEDRO
CC(=O)NC[C@H]1CCC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000245526455	178363816	/nfs/dbraw/zinc/36/38/16/178363816.db2.gz	PGPXQRYKYVPBPJ-MJGOQNOKSA-N	1	0	354.454	1.902	20	30		FDEDRO
C[C@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)C[NH+]1CCN(C)CC1	ZINC000512315470	538971664	/nfs/dbraw/zinc/97/16/64/538971664.db2.gz	QSLWZQIZCSJJHR-OAHLLOKOSA-N	1	0	358.461	1.729	20	30		FDEDRO
C=CCNC(=O)CN1CCN(C(=O)c2ccc(C[NH+](CC)CC)cc2)CC1	ZINC000513008676	538984467	/nfs/dbraw/zinc/98/44/67/538984467.db2.gz	JCMRGCLRAIZTGJ-UHFFFAOYSA-N	1	0	372.513	1.588	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1	ZINC000517618336	539375089	/nfs/dbraw/zinc/37/50/89/539375089.db2.gz	AUWWWGBKLJVCCQ-OAHLLOKOSA-N	1	0	362.449	1.419	20	30		FDEDRO
COc1cccc([C@H]2C[C@H]2C(=O)N(CCC#N)CCN2CCOCC2)c1	ZINC000520735651	539509043	/nfs/dbraw/zinc/50/90/43/539509043.db2.gz	QIIIGZSKZQASTC-RTBURBONSA-N	1	0	357.454	1.873	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000264381633	179093003	/nfs/dbraw/zinc/09/30/03/179093003.db2.gz	FMXDVAAUJSZFCN-KRWDZBQOSA-N	1	0	362.499	1.349	20	30		FDEDRO
C[N@H+](CCO)C1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1	ZINC000264447683	179110387	/nfs/dbraw/zinc/11/03/87/179110387.db2.gz	NOSAAWODZIBLOK-UHFFFAOYSA-N	1	0	357.863	1.289	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000264848938	179219984	/nfs/dbraw/zinc/21/99/84/179219984.db2.gz	MRYRXACAZWTZBK-QGZVFWFLSA-N	1	0	371.485	1.357	20	30		FDEDRO
CC(C)OCCOC[C@@H](O)C[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1	ZINC000265279105	179328426	/nfs/dbraw/zinc/32/84/26/179328426.db2.gz	WOHYKBOCQRBWKM-ROUUACIJSA-N	1	0	366.458	1.032	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2cc(C#N)ccc2OC)CC1	ZINC000265446654	179379235	/nfs/dbraw/zinc/37/92/35/179379235.db2.gz	BCROEZFPXJPQRX-OAHLLOKOSA-N	1	0	359.474	1.962	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)c1ccsc1	ZINC000524275939	539641508	/nfs/dbraw/zinc/64/15/08/539641508.db2.gz	DZRXGFJADDNOGD-MRXNPFEDSA-N	1	0	356.451	1.769	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1	ZINC000268048965	674067901	/nfs/dbraw/zinc/06/79/01/674067901.db2.gz	RJPUOQIRFWHPON-UHFFFAOYSA-N	1	0	364.833	1.377	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(c2cccc(C#N)n2)CC1)[N@@H+]1CCC[C@H](C)C1	ZINC000546882649	542250171	/nfs/dbraw/zinc/25/01/71/542250171.db2.gz	KYZMRXRUNQXYPZ-IRXDYDNUSA-N	1	0	370.501	1.905	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000268120024	180001632	/nfs/dbraw/zinc/00/16/32/180001632.db2.gz	FTSWDKZGGWPTGU-PBHICJAKSA-N	1	0	354.458	1.268	20	30		FDEDRO
CS(=O)(=O)NC[C@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)C1	ZINC000268711092	180147504	/nfs/dbraw/zinc/14/75/04/180147504.db2.gz	XPAGJKPHWSRJSL-MRXNPFEDSA-N	1	0	351.472	1.588	20	30		FDEDRO
CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2ccccc2C#N)C1	ZINC000530232056	539915648	/nfs/dbraw/zinc/91/56/48/539915648.db2.gz	WGQYKUSZIHVGLG-HRCADAONSA-N	1	0	352.456	1.243	20	30		FDEDRO
COCCn1cc2c(n1)[C@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)CCC2	ZINC000530232110	539915810	/nfs/dbraw/zinc/91/58/10/539915810.db2.gz	NFNHUYYDLOAJEE-QZTJIDSGSA-N	1	0	370.453	1.808	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Cn3ccnn3)cc2)c1C#N	ZINC000530262204	539923283	/nfs/dbraw/zinc/92/32/83/539923283.db2.gz	YFKUWYWMYXLOOL-UHFFFAOYSA-N	1	0	364.413	1.325	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)CC2)c1C#N	ZINC000530514310	539989849	/nfs/dbraw/zinc/98/98/49/539989849.db2.gz	VUCCHYZPVJQVBW-AWEZNQCLSA-N	1	0	371.489	1.082	20	30		FDEDRO
CS[C@@H]1CN(C[C@@H](O)COc2ccc(C#N)cc2)C[C@H]1[NH+]1CCCC1	ZINC000274041834	181016440	/nfs/dbraw/zinc/01/64/40/181016440.db2.gz	NGLFGFYDYGLDAN-BHIYHBOVSA-N	1	0	361.511	1.810	20	30		FDEDRO
CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000274065036	181020088	/nfs/dbraw/zinc/02/00/88/181020088.db2.gz	QSWQVWFQRYGQII-UONOGXRCSA-N	1	0	369.425	1.860	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087198188	781931166	/nfs/dbraw/zinc/93/11/66/781931166.db2.gz	AVULBZOKTSHEMV-JLSDUUJJSA-N	1	0	354.454	1.411	20	30		FDEDRO
C[N@H+](CCO)C1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1	ZINC000274661231	181141110	/nfs/dbraw/zinc/14/11/10/181141110.db2.gz	JEZWHYNNUJHZML-UHFFFAOYSA-N	1	0	357.863	1.289	20	30		FDEDRO
C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1	ZINC000531148892	540083732	/nfs/dbraw/zinc/08/37/32/540083732.db2.gz	WTSMJOMLNYNDHI-KRWDZBQOSA-N	1	0	362.518	1.087	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)n(CCC#N)n1	ZINC000532601298	540176278	/nfs/dbraw/zinc/17/62/78/540176278.db2.gz	PTGDDKAZIXJAER-HUUCEWRRSA-N	1	0	360.462	1.423	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1	ZINC000532961084	540191704	/nfs/dbraw/zinc/19/17/04/540191704.db2.gz	BVIUEDFVMIPTEH-RTBURBONSA-N	1	0	355.486	1.187	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1	ZINC000275091232	181235805	/nfs/dbraw/zinc/23/58/05/181235805.db2.gz	HWXGVRGYKHAEAS-YPMHNXCESA-N	1	0	368.359	1.886	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)n(CCC#N)n1	ZINC000533319920	540231535	/nfs/dbraw/zinc/23/15/35/540231535.db2.gz	ZCLIQDIZNTUBDN-HNNXBMFYSA-N	1	0	374.489	1.672	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCO[C@@H](C[NH+](C)C)C3)C2)n1	ZINC000472148592	781936367	/nfs/dbraw/zinc/93/63/67/781936367.db2.gz	AYJRMQCMVSXAIL-MSOLQXFVSA-N	1	0	371.485	1.267	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCO[C@H](C[NH+](C)C)C3)C2)n1	ZINC000472148595	781936396	/nfs/dbraw/zinc/93/63/96/781936396.db2.gz	AYJRMQCMVSXAIL-QZTJIDSGSA-N	1	0	371.485	1.267	20	30		FDEDRO
CSc1nc2nc(C)c(CC(=O)NC3(C#N)CC[NH+](C)CC3)c(C)n2n1	ZINC000535685504	540492841	/nfs/dbraw/zinc/49/28/41/540492841.db2.gz	IFWRFAKVRGUIGK-UHFFFAOYSA-N	1	0	373.486	1.110	20	30		FDEDRO
CC[C@@H]([NH2+][C@H](C)C(=O)N(C)CCC#N)c1ccccc1OCC(=O)N(C)C	ZINC000537051565	540678672	/nfs/dbraw/zinc/67/86/72/540678672.db2.gz	ZPSKVNPATPSECI-NVXWUHKLSA-N	1	0	374.485	1.955	20	30		FDEDRO
COC(=O)CCN1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)[C@@H](C)C1	ZINC000537141858	540691556	/nfs/dbraw/zinc/69/15/56/540691556.db2.gz	OFHOFIBNUKVNIY-HNNXBMFYSA-N	1	0	373.453	1.811	20	30		FDEDRO
COC1CC[NH+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1	ZINC000537259207	540707533	/nfs/dbraw/zinc/70/75/33/540707533.db2.gz	PJLMXAOBTLLHJY-MRXNPFEDSA-N	1	0	362.499	1.568	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1	ZINC000538255857	540832816	/nfs/dbraw/zinc/83/28/16/540832816.db2.gz	RLBJJVXXICJOBT-CQSZACIVSA-N	1	0	358.490	1.909	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)C[C@H]1[NH+]1CCCC1	ZINC000275433301	181316435	/nfs/dbraw/zinc/31/64/35/181316435.db2.gz	FMTVLRWONOSOHM-CABCVRRESA-N	1	0	369.487	1.898	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1	ZINC000539225474	540937262	/nfs/dbraw/zinc/93/72/62/540937262.db2.gz	GJBQPYJWXXYWOI-ZDUSSCGKSA-N	1	0	374.441	1.006	20	30		FDEDRO
C[C@H]1CCN(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000539788124	540993567	/nfs/dbraw/zinc/99/35/67/540993567.db2.gz	DPWPYSQGBBWKPT-HNNXBMFYSA-N	1	0	350.488	1.508	20	30		FDEDRO
C=CC[C@H](CO)C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000540396120	541053909	/nfs/dbraw/zinc/05/39/09/541053909.db2.gz	BABWGOUZGKWGSZ-HOTGVXAUSA-N	1	0	368.499	1.543	20	30		FDEDRO
C[C@@H](C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)n1cnc(C#N)n1	ZINC000541795038	541266989	/nfs/dbraw/zinc/26/69/89/541266989.db2.gz	RQJZEGUIKDNTAI-CYJAXWMASA-N	1	0	366.469	1.984	20	30		FDEDRO
CN(CCC(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1cc[nH+]cc1	ZINC000541857843	541283346	/nfs/dbraw/zinc/28/33/46/541283346.db2.gz	QQYUEJLKUOVDQJ-UHFFFAOYSA-N	1	0	350.426	1.523	20	30		FDEDRO
N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)CC2	ZINC000275658906	181379497	/nfs/dbraw/zinc/37/94/97/181379497.db2.gz	DISVSLKBTWKSCL-SFHVURJKSA-N	1	0	366.465	1.924	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)CC1	ZINC000543180411	541544736	/nfs/dbraw/zinc/54/47/36/541544736.db2.gz	SFODRWOCTWRRMD-YLFCFFPRSA-N	1	0	374.510	1.160	20	30		FDEDRO
C=CCN(C[C@@H](O)COCc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1	ZINC000269644893	674111020	/nfs/dbraw/zinc/11/10/20/674111020.db2.gz	OYBDLLHDPQJHST-IAGOWNOFSA-N	1	0	369.483	1.248	20	30		FDEDRO
CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000282750205	182051926	/nfs/dbraw/zinc/05/19/26/182051926.db2.gz	BYOGXSVVIFPANM-KRWDZBQOSA-N	1	0	366.469	1.995	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1ccccc1	ZINC000283402917	182174877	/nfs/dbraw/zinc/17/48/77/182174877.db2.gz	YDWMIIFBVJVOAX-UHFFFAOYSA-N	1	0	364.449	1.765	20	30		FDEDRO
CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C#N)cc2OC)CC1	ZINC000545295528	541928618	/nfs/dbraw/zinc/92/86/18/541928618.db2.gz	JFUNWWZLBFCKCC-UHFFFAOYSA-N	1	0	358.442	1.886	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000545296616	541928755	/nfs/dbraw/zinc/92/87/55/541928755.db2.gz	NTDJVISPONENEC-OKILXGFUSA-N	1	0	374.441	1.121	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)c1	ZINC000283928542	182319566	/nfs/dbraw/zinc/31/95/66/182319566.db2.gz	JIKSMNUDRFEICG-UHFFFAOYSA-N	1	0	354.454	1.651	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1	ZINC000284176537	182390176	/nfs/dbraw/zinc/39/01/76/182390176.db2.gz	ZEOLEEUJMILCLC-MJGOQNOKSA-N	1	0	366.465	1.650	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H](NC(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1	ZINC000545898838	542043462	/nfs/dbraw/zinc/04/34/62/542043462.db2.gz	ZFUTWHMCJVHLLJ-OAHLLOKOSA-N	1	0	353.430	2.053	20	30		FDEDRO
CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)c1cccc(Br)c1C#N	ZINC000287002106	183191446	/nfs/dbraw/zinc/19/14/46/183191446.db2.gz	UDCZVDXVHCLEPJ-NSHDSACASA-N	1	0	372.288	1.893	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccc(C#N)c(Br)c1	ZINC000287178622	183229395	/nfs/dbraw/zinc/22/93/95/183229395.db2.gz	KBYDWOVOZUDBDQ-CYBMUJFWSA-N	1	0	366.263	1.688	20	30		FDEDRO
C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1	ZINC000287266122	183248736	/nfs/dbraw/zinc/24/87/36/183248736.db2.gz	BEVRXPHWMCDFTO-UHFFFAOYSA-N	1	0	365.231	1.470	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C	ZINC000288117772	183399540	/nfs/dbraw/zinc/39/95/40/183399540.db2.gz	NGMJYRKBCYFMDK-HOCLYGCPSA-N	1	0	370.453	1.981	20	30		FDEDRO
C[NH+](C)C1(CNS(=O)(=O)Cc2ccc(F)cc2C#N)CCOCC1	ZINC000296776242	184199361	/nfs/dbraw/zinc/19/93/61/184199361.db2.gz	QAWDBMZGWRWEKP-UHFFFAOYSA-N	1	0	355.435	1.228	20	30		FDEDRO
COC1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1	ZINC000297922822	184356133	/nfs/dbraw/zinc/35/61/33/184356133.db2.gz	QIGSIVNIJYTZNY-UHFFFAOYSA-N	1	0	372.469	1.086	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)Cc2cccc(C#N)c2)[C@@H](C)C1	ZINC000298007803	184373778	/nfs/dbraw/zinc/37/37/78/184373778.db2.gz	KUGFDBIAHFZQFR-YJBOKZPZSA-N	1	0	356.470	1.705	20	30		FDEDRO
CC(C)[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1)N1CC[NH+](C)CC1	ZINC000071905730	208788583	/nfs/dbraw/zinc/78/85/83/208788583.db2.gz	FFFLBTAYFJWFHG-QGZVFWFLSA-N	1	0	350.488	1.109	20	30		FDEDRO
C[NH+]1CCN(CCCCNS(=O)(=O)c2cc(C#N)ccc2Cl)CC1	ZINC000547790220	542448485	/nfs/dbraw/zinc/44/84/85/542448485.db2.gz	AFSAVSHQHPFVRR-UHFFFAOYSA-N	1	0	370.906	1.518	20	30		FDEDRO
C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(F)cc1C#N	ZINC000185333280	177686735	/nfs/dbraw/zinc/68/67/35/177686735.db2.gz	ZHYJLALWDJQEHY-CYBMUJFWSA-N	1	0	354.451	1.002	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N(CC[NH+](C)C)C1CCCC1	ZINC000548325999	542623751	/nfs/dbraw/zinc/62/37/51/542623751.db2.gz	XXWUFNVIRAPEGJ-UHFFFAOYSA-N	1	0	358.442	1.838	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCN(c3ncccn3)C2)cc1	ZINC000549154011	542845224	/nfs/dbraw/zinc/84/52/24/542845224.db2.gz	RQWKMNWGNZXPLZ-IAGOWNOFSA-N	1	0	353.426	1.347	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCC(C)CC1	ZINC000550103353	543007033	/nfs/dbraw/zinc/00/70/33/543007033.db2.gz	KGIJSPCGRPCMBB-DLBZAZTESA-N	1	0	351.491	1.322	20	30		FDEDRO
COCC(=O)Nc1cccc(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)c1	ZINC000550172297	543028088	/nfs/dbraw/zinc/02/80/88/543028088.db2.gz	XYFDCQPVGQWPRH-SFHVURJKSA-N	1	0	369.421	1.673	20	30		FDEDRO
CCc1ccc([C@H](CNC(=O)C(=O)N2CCC(C#N)CC2)[NH+](C)C)cc1	ZINC000550408294	543094866	/nfs/dbraw/zinc/09/48/66/543094866.db2.gz	MREZHPGQEDLRFA-SFHVURJKSA-N	1	0	356.470	1.730	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1	ZINC000550658617	543145446	/nfs/dbraw/zinc/14/54/46/543145446.db2.gz	FCCQQXLBXWFRKE-MRXNPFEDSA-N	1	0	359.470	1.716	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1	ZINC000173284876	258295357	/nfs/dbraw/zinc/29/53/57/258295357.db2.gz	WWCBHAXJUPOPLE-PKOBYXMFSA-N	1	0	370.497	1.954	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCOC(C)(C)[C@H]1C)C(C)C	ZINC000550838158	543184410	/nfs/dbraw/zinc/18/44/10/543184410.db2.gz	BFSNYPFFLXEKDK-SJORKVTESA-N	1	0	365.518	1.827	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@H](c1cncc(Br)c1)C1CC1	ZINC000551421977	543284041	/nfs/dbraw/zinc/28/40/41/543284041.db2.gz	MUIBCSFHMOJDLT-CQSZACIVSA-N	1	0	367.247	1.897	20	30		FDEDRO
COCCNS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C#N)cc2)cc1	ZINC000062253681	171979465	/nfs/dbraw/zinc/97/94/65/171979465.db2.gz	ZLLNXQRDCDSWRC-UHFFFAOYSA-N	1	0	359.451	1.773	20	30		FDEDRO
C[NH+](C)CCNC(=O)C1CCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1	ZINC000077498869	172127364	/nfs/dbraw/zinc/12/73/64/172127364.db2.gz	QIDYSRXSVXLKDN-UHFFFAOYSA-N	1	0	361.421	1.619	20	30		FDEDRO
CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000091220304	172278627	/nfs/dbraw/zinc/27/86/27/172278627.db2.gz	SRLUCBRVPYKJGI-UHFFFAOYSA-N	1	0	360.462	1.248	20	30		FDEDRO
Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@H+](Cc2cnc3ccc(C#N)cn23)C1	ZINC000092010960	172292190	/nfs/dbraw/zinc/29/21/90/172292190.db2.gz	YRRNOEPGPGIOMR-QAPCUYQASA-N	1	0	350.426	1.885	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000098030287	172330189	/nfs/dbraw/zinc/33/01/89/172330189.db2.gz	ZPKMQOAQUKEAII-DLBZAZTESA-N	1	0	370.501	1.905	20	30		FDEDRO
C[NH+]1CCC(CCNC(=O)N2CCCN(c3ncccc3C#N)CC2)CC1	ZINC000103320776	172363520	/nfs/dbraw/zinc/36/35/20/172363520.db2.gz	UYHUIPWRQDNVNM-UHFFFAOYSA-N	1	0	370.501	1.907	20	30		FDEDRO
Cc1sc(NC(=O)CN2CCC([N@H+](C)CCCO)CC2)c(C#N)c1C	ZINC000177182125	174111431	/nfs/dbraw/zinc/11/14/31/174111431.db2.gz	WBXYZCRCERRNCN-UHFFFAOYSA-N	1	0	364.515	1.954	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(OC[C@H]3CCCO3)CC2)cc1	ZINC000177451623	174133336	/nfs/dbraw/zinc/13/33/36/174133336.db2.gz	KCVUCRCPLRFFJE-FXAWDEMLSA-N	1	0	360.454	1.958	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(OC[C@H]3CCCO3)CC2)cc1	ZINC000177451609	174133347	/nfs/dbraw/zinc/13/33/47/174133347.db2.gz	KCVUCRCPLRFFJE-YLJYHZDGSA-N	1	0	360.454	1.958	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1	ZINC000181473668	174228178	/nfs/dbraw/zinc/22/81/78/174228178.db2.gz	LGTAIMJGSMAKSG-GOSISDBHSA-N	1	0	371.462	1.603	20	30		FDEDRO
CCNC(=O)N1CC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000180296109	258365995	/nfs/dbraw/zinc/36/59/95/258365995.db2.gz	RORULSHHUIZKRB-KRWDZBQOSA-N	1	0	352.442	1.852	20	30		FDEDRO
CC[N@H+](CC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)C1CC1	ZINC000179040575	258342850	/nfs/dbraw/zinc/34/28/50/258342850.db2.gz	DGOVAHVDOYYIES-UHFFFAOYSA-N	1	0	366.469	1.859	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CC1	ZINC000553330297	543610862	/nfs/dbraw/zinc/61/08/62/543610862.db2.gz	DJOXXCLUDJCJAO-ZACQAIPSSA-N	1	0	361.486	1.217	20	30		FDEDRO
COc1cc(OC)c2ncc(C#N)c(NC[C@@H]3CN4CCN3CC4)c2c1	ZINC000553506607	543649083	/nfs/dbraw/zinc/64/90/83/543649083.db2.gz	LGTDOBYANJHDMC-CQSZACIVSA-N	1	0	353.426	1.535	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC2(CCOC)CCC2)CC1	ZINC000553735151	543688695	/nfs/dbraw/zinc/68/86/95/543688695.db2.gz	QHKBTMLUJFFHGW-UHFFFAOYSA-N	1	0	351.491	1.466	20	30		FDEDRO
C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)C[C@@H](C)C1	ZINC000553767281	543693614	/nfs/dbraw/zinc/69/36/14/543693614.db2.gz	BXSGFXPKNJEKRX-DAYGRLMNSA-N	1	0	354.454	1.477	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@H](OCC)C2(CC)CC)CC1	ZINC000553669751	543678189	/nfs/dbraw/zinc/67/81/89/543678189.db2.gz	IYRRMXVDEMXFOK-IRXDYDNUSA-N	1	0	365.518	1.853	20	30		FDEDRO
COc1ccccc1[C@H](C[NH2+]C[C@@H]1CNc2c(C#N)cnn2C1)N(C)C	ZINC000554523470	543816798	/nfs/dbraw/zinc/81/67/98/543816798.db2.gz	LEPDLJQUZAGETR-PBHICJAKSA-N	1	0	354.458	1.698	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]C[C@@H](c3ccccc3)N3CCOCC3)cnc12	ZINC000555553165	543972242	/nfs/dbraw/zinc/97/22/42/543972242.db2.gz	CQXDMZXKPFSDFO-IBGZPJMESA-N	1	0	362.437	1.764	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1	ZINC000556489799	544148940	/nfs/dbraw/zinc/14/89/40/544148940.db2.gz	KKVBEMJAIMKLLY-QWQRMKEZSA-N	1	0	354.454	1.994	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2[C@@H](C)[C@@H](OC)C2(CC)CC)CC1	ZINC000557731602	544337978	/nfs/dbraw/zinc/33/79/78/544337978.db2.gz	PIHLLSNUVXCHIM-DJIMGWMZSA-N	1	0	365.518	1.709	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCOC3(CCCCC3)C2)CC1	ZINC000557731426	544337525	/nfs/dbraw/zinc/33/75/25/544337525.db2.gz	OSXANSMFHRWSRL-KRWDZBQOSA-N	1	0	363.502	1.751	20	30		FDEDRO
CC1CC[NH+]([C@H](CNC(=O)NCC(=O)NCC#N)c2ccccc2)CC1	ZINC000557808248	544349322	/nfs/dbraw/zinc/34/93/22/544349322.db2.gz	MFSSSILIJMZTTB-QGZVFWFLSA-N	1	0	357.458	1.399	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H](CCOC)C2)CC1	ZINC000557768088	544344121	/nfs/dbraw/zinc/34/41/21/544344121.db2.gz	FIKGRSALYGLADP-KRWDZBQOSA-N	1	0	365.518	1.808	20	30		FDEDRO
C[NH+](C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C#N)s1	ZINC000559578591	544731139	/nfs/dbraw/zinc/73/11/39/544731139.db2.gz	RFPBGKQSWBEQRC-UHFFFAOYSA-N	1	0	373.500	1.514	20	30		FDEDRO
N#Cc1ccc(NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)nn1	ZINC000301991252	259037269	/nfs/dbraw/zinc/03/72/69/259037269.db2.gz	MNVPDKVPHGDGQU-MRXNPFEDSA-N	1	0	350.426	1.658	20	30		FDEDRO
C[NH+](C)Cc1ccsc1C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1	ZINC000972086803	782036121	/nfs/dbraw/zinc/03/61/21/782036121.db2.gz	WYWSDGCCPXTQCM-NVXWUHKLSA-N	1	0	371.506	1.896	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2OCCN([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)[C@H]2C1	ZINC000329017818	259072389	/nfs/dbraw/zinc/07/23/89/259072389.db2.gz	KTIHUUSOLFZULJ-FHWLQOOXSA-N	1	0	354.454	1.459	20	30		FDEDRO
N#Cc1ccccc1N1CCCN(CC2(O)CCS(=O)(=O)CC2)CC1	ZINC000329151712	259080875	/nfs/dbraw/zinc/08/08/75/259080875.db2.gz	AHOVUGUEFNXTTN-UHFFFAOYSA-N	1	0	363.483	1.010	20	30		FDEDRO
Cc1ncc(S(=O)(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)cc1C#N	ZINC000331128574	259177427	/nfs/dbraw/zinc/17/74/27/259177427.db2.gz	INIDIBXPFORGMY-STQMWFEESA-N	1	0	366.487	1.428	20	30		FDEDRO
C[C@H]([NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O)C(=O)Nc1cccc(C#N)c1	ZINC000331207829	259181529	/nfs/dbraw/zinc/18/15/29/259181529.db2.gz	ZDHYPRDGOIMFFK-RCBQFDQVSA-N	1	0	364.471	1.335	20	30		FDEDRO
C[C@@H]1CN(Cc2nnc(-c3cccc(C#N)c3)o2)CC[N@@H+]1CC(C)(C)O	ZINC000331299754	259186764	/nfs/dbraw/zinc/18/67/64/259186764.db2.gz	QJMVBAKRRAMVES-CQSZACIVSA-N	1	0	355.442	1.885	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@@H](C[NH+](C)C)C1	ZINC000332108341	259242178	/nfs/dbraw/zinc/24/21/78/259242178.db2.gz	SEPMZPFSYIHTJQ-HNNXBMFYSA-N	1	0	354.458	1.561	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000332371428	259260780	/nfs/dbraw/zinc/26/07/80/259260780.db2.gz	BDYBPLGJQMKGNG-UXPWSPDFSA-N	1	0	370.497	1.730	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)C2=O)cc1	ZINC000333500670	259354519	/nfs/dbraw/zinc/35/45/19/259354519.db2.gz	DIKIYGJNHIKQGL-DKIMLUQUSA-N	1	0	367.453	1.432	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H]1CCCC[NH2+]C1	ZINC000333889786	259390737	/nfs/dbraw/zinc/39/07/37/259390737.db2.gz	WUOIBXDIVJFZDW-SNVBAGLBSA-N	1	0	358.261	1.741	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21	ZINC000362159791	259483861	/nfs/dbraw/zinc/48/38/61/259483861.db2.gz	IMSJHPNOGRDBHZ-BRWVUGGUSA-N	1	0	363.483	1.739	20	30		FDEDRO
C[C@@H](CO)[N@@H+]1CCCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000367344883	260028320	/nfs/dbraw/zinc/02/83/20/260028320.db2.gz	BQPIUNVSTVQHPR-RDJZCZTQSA-N	1	0	374.460	1.439	20	30		FDEDRO
N#Cc1ccc(OC2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)c(F)c1	ZINC000367598161	260067162	/nfs/dbraw/zinc/06/71/62/260067162.db2.gz	VLXNLOZQRMYHAE-INIZCTEOSA-N	1	0	363.433	1.234	20	30		FDEDRO
Cn1cc([C@H]2C[C@@H]2C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cn1	ZINC000368883878	260254125	/nfs/dbraw/zinc/25/41/25/260254125.db2.gz	JPTWIAFBUOAWDC-MOPGFXCFSA-N	1	0	351.454	1.986	20	30		FDEDRO
N#Cc1ccc(CCC(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1	ZINC000368891525	260256180	/nfs/dbraw/zinc/25/61/80/260256180.db2.gz	GFMOWQTXLBQUCU-SFHVURJKSA-N	1	0	354.454	1.432	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000369396333	260356930	/nfs/dbraw/zinc/35/69/30/260356930.db2.gz	WSMINULHTRQFEG-LJQANCHMSA-N	1	0	371.485	1.106	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO	ZINC000372666963	260909601	/nfs/dbraw/zinc/90/96/01/260909601.db2.gz	QRNAEKNFEGUHHL-JKSUJKDBSA-N	1	0	374.416	1.084	20	30		FDEDRO
C[C@H](C(=O)NCCc1ccc(F)cc1)[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000373397357	261007741	/nfs/dbraw/zinc/00/77/41/261007741.db2.gz	AGSGLNBSTPODRS-CQSZACIVSA-N	1	0	370.432	1.673	20	30		FDEDRO
N#Cc1ncn(C2CC[NH+](CCN3C(=O)c4ccccc4C3=O)CC2)n1	ZINC000373401608	261007870	/nfs/dbraw/zinc/00/78/70/261007870.db2.gz	ZTQLHRVSBVQRQK-UHFFFAOYSA-N	1	0	350.382	1.083	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCC(n2cnc(C#N)n2)CC1)[NH+]1CCC(C)CC1	ZINC000373443500	261011399	/nfs/dbraw/zinc/01/13/99/261011399.db2.gz	NYRCHGZHHSKMLX-HNNXBMFYSA-N	1	0	359.478	1.617	20	30		FDEDRO
N#Cc1cc(Cl)ccc1N1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1	ZINC000373794914	261041556	/nfs/dbraw/zinc/04/15/56/261041556.db2.gz	KFMURSCBBARPLY-HNNXBMFYSA-N	1	0	353.875	1.957	20	30		FDEDRO
CN(CCC[NH+]1CCCC1)C(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000374057476	261071961	/nfs/dbraw/zinc/07/19/61/261071961.db2.gz	MGFZQHOYHPYZBV-LJQANCHMSA-N	1	0	368.481	1.994	20	30		FDEDRO
C[C@]1(C2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)NC(=O)NC1=O	ZINC000374109559	261080117	/nfs/dbraw/zinc/08/01/17/261080117.db2.gz	VOOMOTCZEBUSNM-LJQANCHMSA-N	1	0	369.425	1.197	20	30		FDEDRO
C[C@@H]1CN(C(=O)COc2ccc(C#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000374313857	261108639	/nfs/dbraw/zinc/10/86/39/261108639.db2.gz	BHHLJPJSSNWKFF-APWZRJJASA-N	1	0	356.470	1.421	20	30		FDEDRO
Cn1nccc1C1=CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000375659523	261392078	/nfs/dbraw/zinc/39/20/78/261392078.db2.gz	HTGIEJUJLOLMSP-UHFFFAOYSA-N	1	0	356.451	1.855	20	30		FDEDRO
CC(C)(C)[NH+]1CCC(NC(=O)N2CCC(n3cnc(C#N)n3)CC2)CC1	ZINC000376096807	261492941	/nfs/dbraw/zinc/49/29/41/261492941.db2.gz	OSCDZADLOKTJES-UHFFFAOYSA-N	1	0	359.478	1.759	20	30		FDEDRO
CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCCn3cnc(C#N)n3)C2)CC1	ZINC000377219165	261747014	/nfs/dbraw/zinc/74/70/14/261747014.db2.gz	AQSGKFQTUQSBTH-INIZCTEOSA-N	1	0	359.478	1.303	20	30		FDEDRO
Cc1cc(NC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)c(C#N)cc1N(C)C	ZINC000408472541	262113092	/nfs/dbraw/zinc/11/30/92/262113092.db2.gz	VSURIGIHJMTKOA-QZTJIDSGSA-N	1	0	357.458	1.870	20	30		FDEDRO
CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H](C)n1cnc(C#N)n1	ZINC000409930531	262146423	/nfs/dbraw/zinc/14/64/23/262146423.db2.gz	HMWWCGPPUFQGCY-DOTOQJQBSA-N	1	0	354.458	1.984	20	30		FDEDRO
COCC1(O)CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1	ZINC000270415046	674207277	/nfs/dbraw/zinc/20/72/77/674207277.db2.gz	YLFFQFPYMAPWDN-UHFFFAOYSA-N	1	0	363.483	1.910	20	30		FDEDRO
N#Cc1c(NC(=O)CC[N@H+]2CC[C@H](NC(N)=O)C2)sc2c1CCCC2	ZINC000270663934	674246788	/nfs/dbraw/zinc/24/67/88/674246788.db2.gz	KOECHJKMHUUKFE-NSHDSACASA-N	1	0	361.471	1.570	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCC[N@@H+](C)Cc2ccccc2)nn1CCC#N	ZINC000504107490	490788975	/nfs/dbraw/zinc/78/89/75/490788975.db2.gz	AHNGGFJFMNWPPY-UHFFFAOYSA-N	1	0	368.441	1.292	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccnc(O[C@@H]3CCOC3)c2)c1C#N	ZINC000544593274	490972962	/nfs/dbraw/zinc/97/29/62/490972962.db2.gz	GRJDSFAWJCHKTM-CYBMUJFWSA-N	1	0	370.413	1.248	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2cc(C)c(C#N)cn2)CC1	ZINC000603118207	492015462	/nfs/dbraw/zinc/01/54/62/492015462.db2.gz	RKIPGCROMYOFBW-UHFFFAOYSA-N	1	0	358.446	1.280	20	30		FDEDRO
N#CCCn1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)n1	ZINC000600011775	492229291	/nfs/dbraw/zinc/22/92/91/492229291.db2.gz	KECDBVNIMYWFCN-OAHLLOKOSA-N	1	0	358.446	1.258	20	30		FDEDRO
CC[NH+](CC)[C@H](CNS(=O)(=O)N(C)CCC#N)c1cccc(OC)c1	ZINC000045799046	522161432	/nfs/dbraw/zinc/16/14/32/522161432.db2.gz	FWULWZJMURMEPL-QGZVFWFLSA-N	1	0	368.503	1.758	20	30		FDEDRO
C[NH+]1CCN(CCCCNS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1	ZINC000058561560	522277994	/nfs/dbraw/zinc/27/79/94/522277994.db2.gz	RXJRDEVQKADLBA-UHFFFAOYSA-N	1	0	370.906	1.518	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCC[N@H+]2CCCC[C@@H]2C)c1	ZINC000046857688	522367665	/nfs/dbraw/zinc/36/76/65/522367665.db2.gz	GIJBDKWLTQFZCB-HNNXBMFYSA-N	1	0	365.499	1.755	20	30		FDEDRO
CCn1cnnc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000046965129	522404693	/nfs/dbraw/zinc/40/46/93/522404693.db2.gz	OQVBXPSFPHXKNQ-UHFFFAOYSA-N	1	0	355.446	1.443	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC[NH+]1CCCCC1	ZINC000047140484	522454871	/nfs/dbraw/zinc/45/48/71/522454871.db2.gz	CHPUTOIQUQMTLF-UHFFFAOYSA-N	1	0	354.458	1.753	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000061650210	522484337	/nfs/dbraw/zinc/48/43/37/522484337.db2.gz	WOPRQTNQAKWREH-DLBZAZTESA-N	1	0	359.474	1.326	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000073543534	522544210	/nfs/dbraw/zinc/54/42/10/522544210.db2.gz	QOLXTLOPIPHXSH-ZIAGYGMSSA-N	1	0	374.485	1.412	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(F)cc1)NCC1CCN(S(C)(=O)=O)CC1	ZINC000073547406	522546354	/nfs/dbraw/zinc/54/63/54/522546354.db2.gz	WHHRXDJCIGRTSP-UHFFFAOYSA-N	1	0	370.494	1.552	20	30		FDEDRO
C[NH+]=C(NCCn1cncn1)N(C)Cc1ccc(Br)cc1	ZINC000073761653	522601104	/nfs/dbraw/zinc/60/11/04/522601104.db2.gz	ODADOGWUEPNYRR-UHFFFAOYSA-N	1	0	351.252	1.748	20	30		FDEDRO
C[NH+]=C(NCCN1CCCS1(=O)=O)N(C)Cc1ccccc1Cl	ZINC000073762855	522601198	/nfs/dbraw/zinc/60/11/98/522601198.db2.gz	MMQHIBZOFPZKPX-UHFFFAOYSA-N	1	0	358.895	1.383	20	30		FDEDRO
NC(=NOCC(=O)NCC(F)(F)F)c1ccccc1C[NH+]1CCCCC1	ZINC000063509710	522604321	/nfs/dbraw/zinc/60/43/21/522604321.db2.gz	LUDZEOQCHVUFSE-UHFFFAOYSA-N	1	0	372.391	1.988	20	30		FDEDRO
CC[NH+]=C(NCc1ccsc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000073775679	522604462	/nfs/dbraw/zinc/60/44/62/522604462.db2.gz	QHCUETXCKHULNU-HNNXBMFYSA-N	1	0	350.488	1.537	20	30		FDEDRO
COC(=O)CN(CC#N)C(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1	ZINC000073848231	522619290	/nfs/dbraw/zinc/61/92/90/522619290.db2.gz	KVFNSFLYYSBSCE-UHFFFAOYSA-N	1	0	358.442	1.032	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+](CCCC)CC(N)=O)c(OC)c1	ZINC000048048452	522659725	/nfs/dbraw/zinc/65/97/25/522659725.db2.gz	NGQYHSKWERQNDO-INIZCTEOSA-N	1	0	350.459	1.751	20	30		FDEDRO
C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000048606167	522757939	/nfs/dbraw/zinc/75/79/39/522757939.db2.gz	JHJXOXNWVFXOMF-UHFFFAOYSA-N	1	0	372.347	1.506	20	30		FDEDRO
N#CCSCCC[NH+]1CCN(CCNC(=O)c2ccccc2F)CC1	ZINC000074991233	522865407	/nfs/dbraw/zinc/86/54/07/522865407.db2.gz	AXZLEQMMZRTEFL-UHFFFAOYSA-N	1	0	364.490	1.820	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CC(=O)N(C2CC2)C1	ZINC000065930664	522922281	/nfs/dbraw/zinc/92/22/81/522922281.db2.gz	MQJJKKAALMQJJC-KRWDZBQOSA-N	1	0	354.454	1.459	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)no1	ZINC000065930504	522922798	/nfs/dbraw/zinc/92/27/98/522922798.db2.gz	LQFKCGAGYQWMGO-UHFFFAOYSA-N	1	0	355.398	1.384	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CCC)C1	ZINC000051051502	522964372	/nfs/dbraw/zinc/96/43/72/522964372.db2.gz	ZFRPBYWUUKNLAH-ILXRZTDVSA-N	1	0	352.479	1.404	20	30		FDEDRO
C#CCOc1ccccc1C[NH2+]CCCN1CCN(c2ncccn2)CC1	ZINC000075771220	522968077	/nfs/dbraw/zinc/96/80/77/522968077.db2.gz	PCMNJVYRLDEACC-UHFFFAOYSA-N	1	0	365.481	1.791	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000066240277	522996011	/nfs/dbraw/zinc/99/60/11/522996011.db2.gz	FHXHIQLFLQUKMG-UHFFFAOYSA-N	1	0	356.430	1.024	20	30		FDEDRO
N#Cc1cnn(-c2ccc(C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)cc2)c1N	ZINC000066241559	522998156	/nfs/dbraw/zinc/99/81/56/522998156.db2.gz	SMIUMNUFYYBBAF-QGZVFWFLSA-N	1	0	350.426	1.636	20	30		FDEDRO
CC1(C)NC(=O)N(CCC[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)C1=O	ZINC000051621460	523046685	/nfs/dbraw/zinc/04/66/85/523046685.db2.gz	KSBOZUQTCASXMF-UHFFFAOYSA-N	1	0	369.469	1.396	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1CC[NH+](CCc2cccs2)CC1	ZINC000066434829	523057569	/nfs/dbraw/zinc/05/75/69/523057569.db2.gz	VTCVRGHLWOZGRH-CQSZACIVSA-N	1	0	350.488	1.309	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2ccc(C#N)cc2)c1	ZINC000066464506	523065947	/nfs/dbraw/zinc/06/59/47/523065947.db2.gz	BRGXHHIKZBDVNL-UHFFFAOYSA-N	1	0	350.422	1.780	20	30		FDEDRO
O=C(Nc1ncn(Cc2ccccc2)n1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000076333649	523081019	/nfs/dbraw/zinc/08/10/19/523081019.db2.gz	ATXUHISLNPMHQT-CQSZACIVSA-N	1	0	354.414	1.267	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NCCC2CC[NH+](CC)CC2)c1	ZINC000076505344	523128280	/nfs/dbraw/zinc/12/82/80/523128280.db2.gz	GDBPOIPPQQQEAE-UHFFFAOYSA-N	1	0	357.454	1.875	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2OC(F)F)CC1	ZINC000076526363	523130298	/nfs/dbraw/zinc/13/02/98/523130298.db2.gz	WJARNYPFJKHDFP-UHFFFAOYSA-N	1	0	353.369	1.993	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NC3CC[NH+](C4CC4)CC3)CC2)nc1	ZINC000052521789	523190480	/nfs/dbraw/zinc/19/04/80/523190480.db2.gz	VACPSILNSQJOOP-UHFFFAOYSA-N	1	0	354.458	1.412	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)CC2)nc1	ZINC000076983720	523225035	/nfs/dbraw/zinc/22/50/35/523225035.db2.gz	TYDMYHIQSXVRNG-QGZVFWFLSA-N	1	0	368.485	1.802	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N(CCCc1ccccc1)CC[NH+](C)C	ZINC000066871045	523235473	/nfs/dbraw/zinc/23/54/73/523235473.db2.gz	NJIXBESFEZWJRH-UHFFFAOYSA-N	1	0	352.504	1.573	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](C)c2ccc(S(=O)(=O)NC)cc2)CC1	ZINC000066921694	523266824	/nfs/dbraw/zinc/26/68/24/523266824.db2.gz	FXWVTBPFTRNUNB-CQSZACIVSA-N	1	0	363.483	1.117	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)ccc1F	ZINC000067045092	523305899	/nfs/dbraw/zinc/30/58/99/523305899.db2.gz	WUVGTNTYCIXJRA-CQSZACIVSA-N	1	0	369.462	1.456	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCN3CCOCC3)CC2)cc1	ZINC000053955132	523539425	/nfs/dbraw/zinc/53/94/25/523539425.db2.gz	KFFGVWCSJNFHSW-UHFFFAOYSA-N	1	0	371.485	1.108	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCc2nn(C)c(=O)cc2C1	ZINC000078616597	523616748	/nfs/dbraw/zinc/61/67/48/523616748.db2.gz	JQKZMEVXGHLKCG-QGZVFWFLSA-N	1	0	355.438	1.307	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1	ZINC000054509590	523651515	/nfs/dbraw/zinc/65/15/15/523651515.db2.gz	OPSCELSBQOEQIR-QGZVFWFLSA-N	1	0	356.474	1.517	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCC[NH2+]2)c1	ZINC000078950643	523679512	/nfs/dbraw/zinc/67/95/12/523679512.db2.gz	RAHHRFYIRJWVJJ-PTJLRZKYSA-N	1	0	350.444	1.190	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F	ZINC000068347841	523765268	/nfs/dbraw/zinc/76/52/68/523765268.db2.gz	VKIFMUZVUBHEDY-UHFFFAOYSA-N	1	0	360.430	1.419	20	30		FDEDRO
COc1ccc(N2C[C@@H](C(=O)NC3(C#N)CC[NH+](C)CC3)CC2=O)cc1	ZINC000080012302	523821458	/nfs/dbraw/zinc/82/14/58/523821458.db2.gz	YHZXNPCZEHOAPQ-AWEZNQCLSA-N	1	0	356.426	1.152	20	30		FDEDRO
CC(C)[N@@H+]1CCCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1	ZINC000068776703	523856529	/nfs/dbraw/zinc/85/65/29/523856529.db2.gz	KRKMCOKOCPKVAZ-UHFFFAOYSA-N	1	0	352.442	1.882	20	30		FDEDRO
C[C@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)CN1CC[NH+](C)CC1	ZINC000120938534	524103818	/nfs/dbraw/zinc/10/38/18/524103818.db2.gz	DZLUSUSQZFAJPT-CQSZACIVSA-N	1	0	368.478	1.000	20	30		FDEDRO
COc1ccccc1NC(=O)CN1CC[NH+](CCCSCC#N)CC1	ZINC000156574570	524106142	/nfs/dbraw/zinc/10/61/42/524106142.db2.gz	IWORDVOEJQUSMQ-UHFFFAOYSA-N	1	0	362.499	1.898	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1nccn1CCc1ccccc1	ZINC000081525219	524141221	/nfs/dbraw/zinc/14/12/21/524141221.db2.gz	UGFBVQRWCUAMEF-UHFFFAOYSA-N	1	0	370.501	1.252	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC1CC[NH+](C2CC2)CC1	ZINC000156751727	524141837	/nfs/dbraw/zinc/14/18/37/524141837.db2.gz	UZTOYYXKDKYLNG-AWEZNQCLSA-N	1	0	369.473	1.195	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1	ZINC000121074384	524144485	/nfs/dbraw/zinc/14/44/85/524144485.db2.gz	YLDFSOGJAVIHDE-HNNXBMFYSA-N	1	0	354.458	1.269	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](CN(CC)CC(F)(F)F)C1	ZINC000081557125	524149282	/nfs/dbraw/zinc/14/92/82/524149282.db2.gz	FGBUSIUZEYTJCB-STQMWFEESA-N	1	0	364.412	1.593	20	30		FDEDRO
C[NH+]=C(NCCSC(F)(F)F)N1CCN(C(=O)c2ccco2)CC1	ZINC000172210320	524162073	/nfs/dbraw/zinc/16/20/73/524162073.db2.gz	GXQGIQQHNBZLLA-UHFFFAOYSA-N	1	0	364.393	1.866	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(C#N)cn3C)cn2)CC1	ZINC000081679319	524167855	/nfs/dbraw/zinc/16/78/55/524167855.db2.gz	FFQZBHQBYNUFEV-UHFFFAOYSA-N	1	0	352.442	1.364	20	30		FDEDRO
N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@H](OCCO)C1)CCC2	ZINC000172297216	524193468	/nfs/dbraw/zinc/19/34/68/524193468.db2.gz	BGNOTMAYPJWPQQ-ZDUSSCGKSA-N	1	0	363.483	1.910	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)CN2CC[NH+](CC3CCOCC3)CC2)cc1	ZINC000172427065	524220340	/nfs/dbraw/zinc/22/03/40/524220340.db2.gz	AZVIFFYZEKFKPA-IBGZPJMESA-N	1	0	359.470	1.342	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1	ZINC000137515146	524241714	/nfs/dbraw/zinc/24/17/14/524241714.db2.gz	FRWNMLGQRDDLBK-GOSISDBHSA-N	1	0	369.465	1.395	20	30		FDEDRO
N#Cc1ccc(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)[nH]1	ZINC000121397467	524244950	/nfs/dbraw/zinc/24/49/50/524244950.db2.gz	IOMHSSPQLXULJY-CQSZACIVSA-N	1	0	351.410	1.836	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH+]1CCC(CN2CCc3ccccc32)CC1	ZINC000111307434	524257456	/nfs/dbraw/zinc/25/74/56/524257456.db2.gz	LXQLKIDDLGQZSN-UHFFFAOYSA-N	1	0	356.470	1.773	20	30		FDEDRO
N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CC2(O)CCOCC2)CC1	ZINC000157471513	524280790	/nfs/dbraw/zinc/28/07/90/524280790.db2.gz	FSBRNTLRFATEAH-UHFFFAOYSA-N	1	0	358.398	1.470	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CC[N@@H+](CC)C2)c1	ZINC000121524000	524282155	/nfs/dbraw/zinc/28/21/55/524282155.db2.gz	IUZGZRHDIFPNNZ-CQSZACIVSA-N	1	0	351.472	1.223	20	30		FDEDRO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1	ZINC000121726033	524342211	/nfs/dbraw/zinc/34/22/11/524342211.db2.gz	VYDGYDADCFELIF-FXAWDEMLSA-N	1	0	372.513	1.961	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1	ZINC000173220111	524346501	/nfs/dbraw/zinc/34/65/01/524346501.db2.gz	WTXPYZYJVMVPBM-KRWDZBQOSA-N	1	0	368.437	1.780	20	30		FDEDRO
Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccn(CCC#N)n2)[NH+](C)C)cc1	ZINC000086450489	524393640	/nfs/dbraw/zinc/39/36/40/524393640.db2.gz	TYGCWLGUHWRIKU-MRXNPFEDSA-N	1	0	368.441	1.463	20	30		FDEDRO
C[NH+]=C(NCc1cn(C)nc1C(F)(F)F)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000158235509	524427028	/nfs/dbraw/zinc/42/70/28/524427028.db2.gz	ILJSQYIYWVKDSK-AAEUAGOBSA-N	1	0	360.428	1.833	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cnc2ccccc2c1	ZINC000122147400	524461252	/nfs/dbraw/zinc/46/12/52/524461252.db2.gz	HJSFHDPTHKOMEV-UHFFFAOYSA-N	1	0	353.426	1.867	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)N1CCc2c1cccc2Cl	ZINC000122151910	524463392	/nfs/dbraw/zinc/46/33/92/524463392.db2.gz	MVHYAOARGFAJNT-UHFFFAOYSA-N	1	0	362.861	1.923	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)CCNC(=O)C1N=CC=CC1=O)C1CCCCC1	ZINC000173947027	524491240	/nfs/dbraw/zinc/49/12/40/524491240.db2.gz	USEPCUYSKSJAKW-RAJOGRCSSA-N	1	0	362.474	1.530	20	30		FDEDRO
CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000150883353	524499462	/nfs/dbraw/zinc/49/94/62/524499462.db2.gz	XWFHXPLSEQJEOG-ZDUSSCGKSA-N	1	0	359.879	1.847	20	30		FDEDRO
CC[NH+]=C(NCc1c(C)nn(C)c1C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158629487	524501224	/nfs/dbraw/zinc/50/12/24/524501224.db2.gz	LAIUOIYFTKSDND-UHFFFAOYSA-N	1	0	355.508	1.011	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccccc2OCCOC)c1C#N	ZINC000089675193	524520126	/nfs/dbraw/zinc/52/01/26/524520126.db2.gz	SZOACBQFYLAZLH-UHFFFAOYSA-N	1	0	357.414	1.711	20	30		FDEDRO
CN(CCO)S(=O)(=O)c1ccccc1C[NH2+]CC(C)(C)CCC#N	ZINC000174393218	524565283	/nfs/dbraw/zinc/56/52/83/524565283.db2.gz	LYKWPGBUUZWWMG-UHFFFAOYSA-N	1	0	353.488	1.719	20	30		FDEDRO
C=CCCOCC[NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1	ZINC000159173233	524610929	/nfs/dbraw/zinc/61/09/29/524610929.db2.gz	LVLKJGWWXRRNCB-UHFFFAOYSA-N	1	0	356.492	1.362	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C(C)C)N2CCCS2(=O)=O)CC1	ZINC000151558161	524613401	/nfs/dbraw/zinc/61/34/01/524613401.db2.gz	BRURMCDHIFEFEB-MRXNPFEDSA-N	1	0	357.520	1.203	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)cc1	ZINC000174538271	524620126	/nfs/dbraw/zinc/62/01/26/524620126.db2.gz	ZBVUWNUIEJJKGN-HNNXBMFYSA-N	1	0	363.483	1.012	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1C#N	ZINC000174592417	524640443	/nfs/dbraw/zinc/64/04/43/524640443.db2.gz	MCLPNGAVXIINJO-HNNXBMFYSA-N	1	0	358.442	1.278	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000122917015	524641586	/nfs/dbraw/zinc/64/15/86/524641586.db2.gz	ZLRCRIMIRWLYKB-GFCCVEGCSA-N	1	0	352.416	1.571	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1	ZINC000151894474	524716953	/nfs/dbraw/zinc/71/69/53/524716953.db2.gz	ZOEVHQQDIHEITB-TZMCWYRMSA-N	1	0	359.401	1.518	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](CCO)C2CCCCC2)CC1	ZINC000091632277	524749866	/nfs/dbraw/zinc/74/98/66/524749866.db2.gz	JXCDUCBONFPBES-GOSISDBHSA-N	1	0	350.507	1.306	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2c(C)c[nH]c2=O)cc1	ZINC000159882330	524759024	/nfs/dbraw/zinc/75/90/24/524759024.db2.gz	PTZQADZENWVBLM-ZIAGYGMSSA-N	1	0	371.441	1.525	20	30		FDEDRO
COC(=O)CC[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C(C)C	ZINC000114197339	524759043	/nfs/dbraw/zinc/75/90/43/524759043.db2.gz	JWCFRTNQWNZXMG-UHFFFAOYSA-N	1	0	369.425	1.956	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+]CCNS(=O)(=O)c3ccccc3)n2c1	ZINC000123482435	524760060	/nfs/dbraw/zinc/76/00/60/524760060.db2.gz	OUCDHQQCAJMQMV-UHFFFAOYSA-N	1	0	355.423	1.274	20	30		FDEDRO
Cc1cc(C)cc(/N=C2\NC(=O)C(CC(=O)NCCC[NH+](C)C)S2)c1	ZINC000174892089	524782003	/nfs/dbraw/zinc/78/20/03/524782003.db2.gz	TTXKYHBRRPZCPF-HNNXBMFYSA-N	1	0	362.499	1.981	20	30		FDEDRO
C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc(C#N)c1	ZINC000123627522	524794098	/nfs/dbraw/zinc/79/40/98/524794098.db2.gz	CYGYDUGUNOCGKU-GOSISDBHSA-N	1	0	350.422	1.786	20	30		FDEDRO
CC[NH+]=C(NCC1CCN(C(C)=O)CC1)N1CC[C@@H](C)[C@H](n2ccnc2)C1	ZINC000160040922	524794282	/nfs/dbraw/zinc/79/42/82/524794282.db2.gz	CRAQNTXUUCNJPA-VQIMIIECSA-N	1	0	374.533	1.990	20	30		FDEDRO
CC[NH+]=C(NCC1CCN(C(C)=O)CC1)N1CC[C@H](C)[C@@H](n2ccnc2)C1	ZINC000160041043	524795166	/nfs/dbraw/zinc/79/51/66/524795166.db2.gz	CRAQNTXUUCNJPA-LPHOPBHVSA-N	1	0	374.533	1.990	20	30		FDEDRO
C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000123636464	524797237	/nfs/dbraw/zinc/79/72/37/524797237.db2.gz	KLXSWCRPHOXCNP-MRXNPFEDSA-N	1	0	364.449	1.925	20	30		FDEDRO
CC[NH+]=C(NCc1nnc2n1CCCC2)N1CC[C@H](C)[C@H](n2ccnc2)C1	ZINC000160080124	524802223	/nfs/dbraw/zinc/80/22/23/524802223.db2.gz	CZNHHONIQYUEFU-JKSUJKDBSA-N	1	0	370.505	1.860	20	30		FDEDRO
CS(=O)(=O)c1ccc(OCC[NH2+]Cc2cnc3ccc(C#N)cn23)cc1	ZINC000123674334	524804615	/nfs/dbraw/zinc/80/46/15/524804615.db2.gz	XHXBQEVVAMKVCZ-UHFFFAOYSA-N	1	0	370.434	1.778	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)NCC[NH+]2CCCCC2)cc1C#N	ZINC000160100855	524807276	/nfs/dbraw/zinc/80/72/76/524807276.db2.gz	IYTBBSYEKYKXIM-UHFFFAOYSA-N	1	0	358.442	1.886	20	30		FDEDRO
CCC[N@H+](CC)CCNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000123702478	524810483	/nfs/dbraw/zinc/81/04/83/524810483.db2.gz	DDGRCUHFVLWQNH-HNNXBMFYSA-N	1	0	359.478	1.300	20	30		FDEDRO
C#CCOc1ccc(C[NH+]2CCC(N(C)S(=O)(=O)CC)CC2)cc1	ZINC000093321066	524981342	/nfs/dbraw/zinc/98/13/42/524981342.db2.gz	HVWLHKQFUKZXBJ-UHFFFAOYSA-N	1	0	350.484	1.945	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3)CC2)CCO1	ZINC000124450452	524991390	/nfs/dbraw/zinc/99/13/90/524991390.db2.gz	IOQHXKYMJKKNGZ-CQSZACIVSA-N	1	0	356.426	1.208	20	30		FDEDRO
C=CCOc1ccc(CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1OC	ZINC000093821193	525001873	/nfs/dbraw/zinc/00/18/73/525001873.db2.gz	CEARLCILSIZVEX-SFHVURJKSA-N	1	0	373.497	1.998	20	30		FDEDRO
C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000175973682	525037316	/nfs/dbraw/zinc/03/73/16/525037316.db2.gz	QBULOTWDPVXOEP-HNNXBMFYSA-N	1	0	362.405	1.205	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC[N@@H+](CC)CCC)cc1	ZINC000176212159	525065212	/nfs/dbraw/zinc/06/52/12/525065212.db2.gz	GIGRYPQEDINNGF-UHFFFAOYSA-N	1	0	360.458	1.389	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)NC)cs2)CC1	ZINC000176322143	525082316	/nfs/dbraw/zinc/08/23/16/525082316.db2.gz	NLUQRFIDIFLVFS-UHFFFAOYSA-N	1	0	357.501	1.427	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)NCCN2CCC([NH+](C)C)CC2)c1	ZINC000176339498	525085875	/nfs/dbraw/zinc/08/58/75/525085875.db2.gz	ZJWSRKZGPNXNBS-UHFFFAOYSA-N	1	0	374.485	1.332	20	30		FDEDRO
C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)Cc2cccc(C#N)c2)CC1	ZINC000161468917	525113694	/nfs/dbraw/zinc/11/36/94/525113694.db2.gz	DDGRZUXLANOOJA-OAHLLOKOSA-N	1	0	365.499	1.413	20	30		FDEDRO
N#Cc1c(Cl)cccc1S(=O)(=O)NCCCC[N@H+]1CCC[C@@H]1CO	ZINC000161729190	525160599	/nfs/dbraw/zinc/16/05/99/525160599.db2.gz	YVVICMQKUCZRNQ-CYBMUJFWSA-N	1	0	371.890	1.727	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)NCCCC[N@H+]2CCC[C@H]2CO)ccc1F	ZINC000161746512	525161937	/nfs/dbraw/zinc/16/19/37/525161937.db2.gz	ZSSOBKUBAABEMF-AWEZNQCLSA-N	1	0	355.435	1.213	20	30		FDEDRO
CC[NH+]=C(NC[C@H](O)c1ccc(C)cc1)N[C@H]1CCc2nc(C)nn2C1	ZINC000153381803	525195139	/nfs/dbraw/zinc/19/51/39/525195139.db2.gz	ZGFRRLLUGXJXPE-IRXDYDNUSA-N	1	0	356.474	1.498	20	30		FDEDRO
CC(=O)Nc1ccc(NC(=O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)cc1	ZINC000125470714	525203339	/nfs/dbraw/zinc/20/33/39/525203339.db2.gz	PHOANHLHGFVPRD-UHFFFAOYSA-N	1	0	369.429	1.325	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccn1)C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000125911385	525252670	/nfs/dbraw/zinc/25/26/70/525252670.db2.gz	OFSQBSFWWAJKLB-UHFFFAOYSA-N	1	0	365.437	1.273	20	30		FDEDRO
C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1	ZINC000153721519	525300435	/nfs/dbraw/zinc/30/04/35/525300435.db2.gz	FXLUQNASYOSXNG-GFCCVEGCSA-N	1	0	366.368	1.556	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000126355903	525302658	/nfs/dbraw/zinc/30/26/58/525302658.db2.gz	VHBDRIMIRSBDNW-LJQANCHMSA-N	1	0	362.433	1.630	20	30		FDEDRO
C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1	ZINC000177527863	525307765	/nfs/dbraw/zinc/30/77/65/525307765.db2.gz	LDBJUNBKQHRXER-INIZCTEOSA-N	1	0	358.442	1.860	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1	ZINC000177578617	525314069	/nfs/dbraw/zinc/31/40/69/525314069.db2.gz	GPNQDCUVHPMAQB-JKSUJKDBSA-N	1	0	365.499	1.754	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3OCC)CC1	ZINC000163008999	525349146	/nfs/dbraw/zinc/34/91/46/525349146.db2.gz	PWQFQFUWCFKHIU-MSOLQXFVSA-N	1	0	365.518	1.988	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)ccc1F	ZINC000153947712	525371063	/nfs/dbraw/zinc/37/10/63/525371063.db2.gz	VWBCAOKIQSQRJG-CQSZACIVSA-N	1	0	369.462	1.456	20	30		FDEDRO
C=CC[C@@H](C)[C@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1	ZINC000127167645	525391795	/nfs/dbraw/zinc/39/17/95/525391795.db2.gz	DLBWAPMNNFISIC-SJORKVTESA-N	1	0	366.531	1.724	20	30		FDEDRO
Cc1ccc([C@H](CNS(=O)(=O)N(C)CCC#N)[NH+]2CCCC2)cc1	ZINC000127204879	525395275	/nfs/dbraw/zinc/39/52/75/525395275.db2.gz	BUGIFIZDILVQRC-KRWDZBQOSA-N	1	0	350.488	1.812	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)NCC1CC[NH+](Cc2cccs2)CC1	ZINC000127233311	525397305	/nfs/dbraw/zinc/39/73/05/525397305.db2.gz	XDOMVHACEQLXFB-UHFFFAOYSA-N	1	0	356.517	1.640	20	30		FDEDRO
Cc1ccc(-c2nc(CCNC(=[NH2+])NCCCN3CCOCC3)co2)cc1	ZINC000104190931	525400672	/nfs/dbraw/zinc/40/06/72/525400672.db2.gz	LZUUPJYKKBBUIC-UHFFFAOYSA-N	1	0	371.485	1.819	20	30		FDEDRO
C#CCCN1CCN([C@@H](C)C(=O)NCCc2c[nH]c3ccccc23)CC1	ZINC000127334350	525410946	/nfs/dbraw/zinc/41/09/46/525410946.db2.gz	DMZXLWAAPASNIE-KRWDZBQOSA-N	1	0	352.482	1.856	20	30		FDEDRO
C[NH+](C)CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	ZINC000118094363	525434274	/nfs/dbraw/zinc/43/42/74/525434274.db2.gz	JODNDPKSWPVOCZ-UHFFFAOYSA-N	1	0	352.394	1.967	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCN(C(=O)C[NH+](C)C)CC1	ZINC000127583942	525439493	/nfs/dbraw/zinc/43/94/93/525439493.db2.gz	JKQJFZINSXGHJQ-KRWDZBQOSA-N	1	0	371.485	1.028	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCCc1ccc(Br)cc1	ZINC000178562894	525444491	/nfs/dbraw/zinc/44/44/91/525444491.db2.gz	DVZFPNLEONVROF-UHFFFAOYSA-N	1	0	369.307	1.618	20	30		FDEDRO
C=CCOc1cccc(NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000105017814	525458303	/nfs/dbraw/zinc/45/83/03/525458303.db2.gz	MFHYPRXGXBGEQA-HNNXBMFYSA-N	1	0	360.458	1.960	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	ZINC000164127800	525479499	/nfs/dbraw/zinc/47/94/99/525479499.db2.gz	NJWAUJSTHRIOMX-CQSZACIVSA-N	1	0	369.450	1.831	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)C1	ZINC000164184455	525483199	/nfs/dbraw/zinc/48/31/99/525483199.db2.gz	JBKWRNNRHTXWDB-ZDUSSCGKSA-N	1	0	369.450	1.688	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)C2)CC1	ZINC000164597323	525518161	/nfs/dbraw/zinc/51/81/61/525518161.db2.gz	DFOVMAJWQJTVQL-GOSISDBHSA-N	1	0	370.497	1.954	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN(CCOC)Cc2ccc(C#N)cc2)CC1	ZINC000128300646	525525402	/nfs/dbraw/zinc/52/54/02/525525402.db2.gz	IOPDHQOXUOHAED-UHFFFAOYSA-N	1	0	358.486	1.607	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)CC1(C#N)CC1	ZINC000164856121	525534379	/nfs/dbraw/zinc/53/43/79/525534379.db2.gz	DRSFITCIEZSHSO-UHFFFAOYSA-N	1	0	357.426	1.962	20	30		FDEDRO
N#Cc1cccc(-c2csc(NC(=O)C(=O)NCC[NH+]3CCCC3)n2)c1	ZINC000179138311	525537657	/nfs/dbraw/zinc/53/76/57/525537657.db2.gz	DWSWMJNQOSNHSC-UHFFFAOYSA-N	1	0	369.450	1.832	20	30		FDEDRO
CC[NH+]=C(NCc1ccoc1)N1CCN([C@H](C)C(=O)N2CCCC2)CC1	ZINC000179180989	525541920	/nfs/dbraw/zinc/54/19/20/525541920.db2.gz	PACIJKUVYQNLMY-MRXNPFEDSA-N	1	0	361.490	1.374	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)CC1	ZINC000106038425	525553860	/nfs/dbraw/zinc/55/38/60/525553860.db2.gz	NQIGBTJPLUWDIB-UHFFFAOYSA-N	1	0	356.470	1.953	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2CC[NH2+]CC2)cc1	ZINC000154604083	525586791	/nfs/dbraw/zinc/58/67/91/525586791.db2.gz	GOSRCAZBRNGNKG-CAPFRKAQSA-N	1	0	364.471	1.438	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC1CC[NH+](C)CC1	ZINC000129014057	525604916	/nfs/dbraw/zinc/60/49/16/525604916.db2.gz	VGJZKGQJJIUMCE-UHFFFAOYSA-N	1	0	354.458	1.608	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000167922859	525612314	/nfs/dbraw/zinc/61/23/14/525612314.db2.gz	IHHIZFDIYSGYKI-GJZGRUSLSA-N	1	0	374.869	1.904	20	30		FDEDRO
C#CCSCCNC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000154800624	525643036	/nfs/dbraw/zinc/64/30/36/525643036.db2.gz	GSFCERMLHIWFPW-IYBDPMFKSA-N	1	0	353.532	1.884	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)C(=O)N(C)CCC#N	ZINC000180122785	525666335	/nfs/dbraw/zinc/66/63/35/525666335.db2.gz	KBWRLQMYYZGUBO-SRCQZFHVSA-N	1	0	362.861	1.962	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](CN2CCOCC2)C1	ZINC000129579191	525670456	/nfs/dbraw/zinc/67/04/56/525670456.db2.gz	KNULXTRXJGZPJC-RBUKOAKNSA-N	1	0	370.497	1.976	20	30		FDEDRO
CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CCO[C@H](C#N)C1	ZINC000106331267	525693006	/nfs/dbraw/zinc/69/30/06/525693006.db2.gz	KHPACDXITVYUJG-QGZVFWFLSA-N	1	0	360.458	1.841	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1	ZINC000106349384	525698793	/nfs/dbraw/zinc/69/87/93/525698793.db2.gz	ABCNXPMPTIZPFL-UHFFFAOYSA-N	1	0	360.414	1.998	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C	ZINC000180533006	525718180	/nfs/dbraw/zinc/71/81/80/525718180.db2.gz	ARGWLIMMLRERPG-HOTGVXAUSA-N	1	0	358.486	1.744	20	30		FDEDRO
CNC(=O)CCC[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000155116934	525751160	/nfs/dbraw/zinc/75/11/60/525751160.db2.gz	DROAHVIDUZMWEP-UHFFFAOYSA-N	1	0	354.414	1.140	20	30		FDEDRO
C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000180874089	525768858	/nfs/dbraw/zinc/76/88/58/525768858.db2.gz	XVMWFZVHYUAGSC-NUMWXTGKSA-N	1	0	360.389	1.659	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000106895672	525817786	/nfs/dbraw/zinc/81/77/86/525817786.db2.gz	DSBGRSJVBYKKPD-LBPRGKRZSA-N	1	0	356.879	1.126	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1	ZINC000181666795	525887716	/nfs/dbraw/zinc/88/77/16/525887716.db2.gz	UBRKUCZVPGSUHF-HUUCEWRRSA-N	1	0	358.442	1.907	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[N@@H+]2CCCN(CC(=O)N3CCCC3)CC2)cc1	ZINC000155540043	525900844	/nfs/dbraw/zinc/90/08/44/525900844.db2.gz	LYILVMZXHURTFZ-LJQANCHMSA-N	1	0	356.470	1.222	20	30		FDEDRO
CC[C@H]([NH2+][C@H](C)C(=O)N(C)CCC#N)c1cccc(S(N)(=O)=O)c1	ZINC000181743642	525916060	/nfs/dbraw/zinc/91/60/60/525916060.db2.gz	GFZWNVNRZQOWAU-DOMZBBRYSA-N	1	0	352.460	1.135	20	30		FDEDRO
CC[NH+]=C(NCc1cn(C)nc1C(F)(F)F)N[C@H]1CCC(=O)N(C)C1	ZINC000155595673	525917608	/nfs/dbraw/zinc/91/76/08/525917608.db2.gz	KTLYQXKOFDXODA-NSHDSACASA-N	1	0	360.384	1.115	20	30		FDEDRO
CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1	ZINC000155620563	525925646	/nfs/dbraw/zinc/92/56/46/525925646.db2.gz	SFONOWCTEIFSOQ-SJORKVTESA-N	1	0	351.472	1.385	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC[N@@H+](CC)C2)cc1	ZINC000107891637	525926906	/nfs/dbraw/zinc/92/69/06/525926906.db2.gz	ZMRCVZAGGZEYOE-AWEZNQCLSA-N	1	0	351.472	1.223	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CC[N@@H+](CC)C2)ccc1F	ZINC000107892440	525928818	/nfs/dbraw/zinc/92/88/18/525928818.db2.gz	UNAHIBPAEATONJ-ZDUSSCGKSA-N	1	0	369.462	1.362	20	30		FDEDRO
C[C@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1	ZINC000132046611	525931872	/nfs/dbraw/zinc/93/18/72/525931872.db2.gz	QKRYGOUHCYQDBN-GFCCVEGCSA-N	1	0	366.849	1.979	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+][C@@]2(CO)CCc3ccccc32)cc1	ZINC000132221848	525947825	/nfs/dbraw/zinc/94/78/25/525947825.db2.gz	KXCVADWSSSXHAW-GHTZIAJQSA-N	1	0	352.434	1.916	20	30		FDEDRO
C[C@H](CC#N)N(C)C(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1	ZINC000132236564	525950027	/nfs/dbraw/zinc/95/00/27/525950027.db2.gz	QJFJQUFRFKUMBJ-CQSZACIVSA-N	1	0	360.483	1.934	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cnc(-c3ccccc3)nc2)CC1	ZINC000181876766	525965682	/nfs/dbraw/zinc/96/56/82/525965682.db2.gz	MAMOVPILCWEFHD-UHFFFAOYSA-N	1	0	365.437	1.849	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)cc1	ZINC000155766339	525968671	/nfs/dbraw/zinc/96/86/71/525968671.db2.gz	OQVNLAUVGWAZPJ-MRXNPFEDSA-N	1	0	372.469	1.742	20	30		FDEDRO
C#CCOc1cccc(NC(=O)NCCCC[NH+]2CCC(C(N)=O)CC2)c1	ZINC000108517529	525980595	/nfs/dbraw/zinc/98/05/95/525980595.db2.gz	AZAREYRNIWGGIE-UHFFFAOYSA-N	1	0	372.469	1.798	20	30		FDEDRO
C=CCC[N@@H+]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	ZINC000132671045	525984613	/nfs/dbraw/zinc/98/46/13/525984613.db2.gz	CRRLEBKQMFBSCO-UHFFFAOYSA-N	1	0	352.456	1.730	20	30		FDEDRO
CS(=O)(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(OCCCC#N)c1	ZINC000120228193	526001918	/nfs/dbraw/zinc/00/19/18/526001918.db2.gz	XJWSTEOXTBUHEP-MRXNPFEDSA-N	1	0	351.472	1.883	20	30		FDEDRO
C[C@@H]1C[NH+](CCCNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)C[C@@H](C)O1	ZINC000133298703	526043453	/nfs/dbraw/zinc/04/34/53/526043453.db2.gz	RAZGMOIIBAGUHL-HZPDHXFCSA-N	1	0	372.469	1.830	20	30		FDEDRO
CN(C)C(=O)[C@H]1CC[C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)O1	ZINC000182107317	526056700	/nfs/dbraw/zinc/05/67/00/526056700.db2.gz	GYYQRIDKAYSECJ-VQTJNVASSA-N	1	0	370.497	1.748	20	30		FDEDRO
CC(C)(O)C[NH+]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000171671299	526072104	/nfs/dbraw/zinc/07/21/04/526072104.db2.gz	GZTODNBVRDIYEX-UHFFFAOYSA-N	1	0	364.877	1.929	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCCN(c3ccccc3C#N)C2)CC1	ZINC000109117994	526074568	/nfs/dbraw/zinc/07/45/68/526074568.db2.gz	DRMSZZJNRWZCRK-IBGZPJMESA-N	1	0	350.466	1.988	20	30		FDEDRO
CCc1noc2ncc(C(=O)Nc3n[nH]c(CCC[NH2+]C)c3C#N)cc12	ZINC000133726455	526084319	/nfs/dbraw/zinc/08/43/19/526084319.db2.gz	ZFJXFGGNEFZYAG-UHFFFAOYSA-N	1	0	353.386	1.784	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H](Cc2ccc(F)cc2)n2nnnc2C)CC1	ZINC000171718361	526091982	/nfs/dbraw/zinc/09/19/82/526091982.db2.gz	HUABZTLVCXQPDO-SFHVURJKSA-N	1	0	372.448	1.671	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CS[C@@H](C)C(=O)Nc2cc(C)on2)CC1	ZINC000171726562	526095496	/nfs/dbraw/zinc/09/54/96/526095496.db2.gz	PPIWSRAWTHLRCZ-ZDUSSCGKSA-N	1	0	366.487	1.810	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2cccc(CS(C)(=O)=O)c2)CC1	ZINC000171729439	526099350	/nfs/dbraw/zinc/09/93/50/526099350.db2.gz	LXFAHSPBBIXFLF-UHFFFAOYSA-N	1	0	365.499	1.681	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(CCC(=O)Nc2ccccc2C#N)CC1	ZINC000109752785	526173513	/nfs/dbraw/zinc/17/35/13/526173513.db2.gz	IUZXQLQDLIEPCV-IBGZPJMESA-N	1	0	369.513	1.989	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000109755023	526176354	/nfs/dbraw/zinc/17/63/54/526176354.db2.gz	CIZSCSFKODJOAP-UXHICEINSA-N	1	0	372.513	1.400	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCCCNC(=O)c2cccc(F)c2)CC1	ZINC000171907794	526178349	/nfs/dbraw/zinc/17/83/49/526178349.db2.gz	QSBAQBKHYGVLIZ-UHFFFAOYSA-N	1	0	362.449	1.895	20	30		FDEDRO
CCC(CC)(C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C(=O)OC	ZINC000120840540	526199992	/nfs/dbraw/zinc/19/99/92/526199992.db2.gz	AUEXLKOLZCGKEM-UHFFFAOYSA-N	1	0	352.456	1.901	20	30		FDEDRO
COc1ccc(CNc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1C#N	ZINC000182591119	535829289	/nfs/dbraw/zinc/82/92/89/535829289.db2.gz	CTSSUTGBZQAZDY-UHFFFAOYSA-N	1	0	356.430	1.053	20	30		FDEDRO
C[C@@H](C[S@@](C)=O)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000182610042	535833502	/nfs/dbraw/zinc/83/35/02/535833502.db2.gz	JPTKQZCJLLGEPD-LFPIHBKWSA-N	1	0	350.488	1.398	20	30		FDEDRO
CCOCC[N@H+](CC)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000182773192	535860478	/nfs/dbraw/zinc/86/04/78/535860478.db2.gz	AWYMCCOMTDACTE-INIZCTEOSA-N	1	0	364.515	1.815	20	30		FDEDRO
C[N@H+](CCCO)C1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000182791942	535863618	/nfs/dbraw/zinc/86/36/18/535863618.db2.gz	XVUHZUUJLINXHS-FQEVSTJZSA-N	1	0	370.497	1.832	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)n1	ZINC000183348714	535965331	/nfs/dbraw/zinc/96/53/31/535965331.db2.gz	BYHMIRKKLKMGOD-UHFFFAOYSA-N	1	0	360.462	1.512	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Cc2ccc(S(=O)(=O)NCC)cc2)CC1	ZINC000183548879	536000612	/nfs/dbraw/zinc/00/06/12/536000612.db2.gz	TZYPJRGVFZJRHV-UHFFFAOYSA-N	1	0	365.499	1.294	20	30		FDEDRO
C[C@H](CNC(=O)Nc1cnn(-c2ncccc2C#N)c1)C[NH+]1CCCC1	ZINC000184578082	536166691	/nfs/dbraw/zinc/16/66/91/536166691.db2.gz	MSYSQJRZFQJTPS-CQSZACIVSA-N	1	0	353.430	1.992	20	30		FDEDRO
[NH2+]=C(NCc1ccc(N2CCCS2(=O)=O)cc1)NC1CCCCC1	ZINC000185589907	536213045	/nfs/dbraw/zinc/21/30/45/536213045.db2.gz	JOZZZMWFCTUYIW-UHFFFAOYSA-N	1	0	350.488	1.964	20	30		FDEDRO
C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)/C=C/c1ccc(OCC#N)cc1	ZINC000186950527	536250135	/nfs/dbraw/zinc/25/01/35/536250135.db2.gz	KHZFAAFXELEBCI-FSNWXROXSA-N	1	0	357.454	1.906	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000188301759	536289445	/nfs/dbraw/zinc/28/94/45/536289445.db2.gz	IZRFXFUOGKMNEI-YLJYHZDGSA-N	1	0	358.486	1.316	20	30		FDEDRO
CC[NH+]=C(NCc1c(C)nn(C)c1C)NC[C@@H]1CCc2nnc(C)n2C1	ZINC000262791817	536901228	/nfs/dbraw/zinc/90/12/28/536901228.db2.gz	OFYRCBKHTNISQS-HNNXBMFYSA-N	1	0	358.494	1.255	20	30		FDEDRO
C[NH+]=C(NC[C@H](O)c1ccc(Cl)cc1)N[C@H]1CCc2nc(C)nn2C1	ZINC000262796687	536903423	/nfs/dbraw/zinc/90/34/23/536903423.db2.gz	PUMMNXUCVFQMKY-GJZGRUSLSA-N	1	0	362.865	1.453	20	30		FDEDRO
C[NH+]=C(NC[C@](C)(O)c1ccco1)N[C@H]1CCC[C@H](C(=O)N(C)C)C1	ZINC000262799306	536903858	/nfs/dbraw/zinc/90/38/58/536903858.db2.gz	QLHDHCRZUYJEAZ-DEYYWGMASA-N	1	0	350.463	1.299	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(c3ccnn3CC)C2=O)CC1	ZINC000188692244	536928424	/nfs/dbraw/zinc/92/84/24/536928424.db2.gz	DLOXHTWRESAHRL-MRXNPFEDSA-N	1	0	374.489	1.348	20	30		FDEDRO
COc1cc(C#N)ccc1OCCCC(=O)NCC1(O)CC[NH+](C)CC1	ZINC000266797749	536932479	/nfs/dbraw/zinc/93/24/79/536932479.db2.gz	XQTLDFTXSNSJOI-UHFFFAOYSA-N	1	0	361.442	1.299	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)CC[N@@H+]1CC(C)(C)O	ZINC000188962336	536978196	/nfs/dbraw/zinc/97/81/96/536978196.db2.gz	VFNWEUBRNICAKK-OAHLLOKOSA-N	1	0	360.458	1.424	20	30		FDEDRO
CC[C@H]1CN([C@H]2CCN(c3sccc3C#N)C2=O)CC[N@@H+]1CCOC	ZINC000246561311	536980762	/nfs/dbraw/zinc/98/07/62/536980762.db2.gz	UXGSFKXPDOJQDG-HOTGVXAUSA-N	1	0	362.499	1.768	20	30		FDEDRO
N#Cc1ccc(C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc1O	ZINC000189056250	536990670	/nfs/dbraw/zinc/99/06/70/536990670.db2.gz	CYJOGRWAWZUPGV-QZTJIDSGSA-N	1	0	351.406	1.629	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1	ZINC000246668323	537000481	/nfs/dbraw/zinc/00/04/81/537000481.db2.gz	FNYYLGHPQQRJRB-IBGZPJMESA-N	1	0	373.501	1.374	20	30		FDEDRO
[NH2+]=C(NC[C@@H]1CCCN(c2nccn3cnnc23)C1)Nc1ccccc1	ZINC000263256812	537002867	/nfs/dbraw/zinc/00/28/67/537002867.db2.gz	LECHVGNSUYGSAU-AWEZNQCLSA-N	1	0	350.430	1.768	20	30		FDEDRO
CC[NH+]=C(NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1)N1CCN(C(C)=O)CC1	ZINC000263262710	537003665	/nfs/dbraw/zinc/00/36/65/537003665.db2.gz	TYHGWBAZUJNBKQ-HOTGVXAUSA-N	1	0	367.538	1.004	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(C3CC3)n(CC)n2)CC1	ZINC000268182722	537011571	/nfs/dbraw/zinc/01/15/71/537011571.db2.gz	BGZZVZZIDIXWAD-UHFFFAOYSA-N	1	0	359.474	1.876	20	30		FDEDRO
CCO[C@@H]1C[C@@H](O)C12CC[NH+](C[C@@H](O)COc1ccc(C#N)cc1)CC2	ZINC000246731066	537013506	/nfs/dbraw/zinc/01/35/06/537013506.db2.gz	DSCFEOLJWIXXEK-BHIYHBOVSA-N	1	0	360.454	1.550	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1	ZINC000268950614	537016767	/nfs/dbraw/zinc/01/67/67/537016767.db2.gz	CZFQRWIUXMLZMD-RTBURBONSA-N	1	0	372.469	1.766	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCc2cc(C#N)ccc2F)CC1=O	ZINC000246811069	537032424	/nfs/dbraw/zinc/03/24/24/537032424.db2.gz	KQHLCOCDIRECEC-IRXDYDNUSA-N	1	0	372.444	1.646	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1	ZINC000263677514	537062557	/nfs/dbraw/zinc/06/25/57/537062557.db2.gz	HMMRVMXRFUOOOO-AWEZNQCLSA-N	1	0	369.425	1.797	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)NC)o1)C(C)C	ZINC000263961263	537133576	/nfs/dbraw/zinc/13/35/76/537133576.db2.gz	POFLPKWFIRRWEO-AWEZNQCLSA-N	1	0	369.487	1.616	20	30		FDEDRO
CCS(=O)(=O)N(C)CCC[NH2+]Cc1ccc(N(C)CCC#N)cc1	ZINC000264102649	537137357	/nfs/dbraw/zinc/13/73/57/537137357.db2.gz	YZSOGAFHTORMSR-UHFFFAOYSA-N	1	0	352.504	1.798	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cccc(OCC#N)c2)CC1=O	ZINC000264385486	537143365	/nfs/dbraw/zinc/14/33/65/537143365.db2.gz	HATGHRGZKSKPGO-NVXWUHKLSA-N	1	0	370.453	1.860	20	30		FDEDRO
C[C@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1	ZINC000190162147	537148447	/nfs/dbraw/zinc/14/84/47/537148447.db2.gz	TXOPUCAKESRVJS-OAHLLOKOSA-N	1	0	357.458	1.528	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)NCCCC[NH+]1CCN(CC)CC1	ZINC000265129359	537151204	/nfs/dbraw/zinc/15/12/04/537151204.db2.gz	GMTDAKXUGDSGBU-UHFFFAOYSA-N	1	0	372.513	1.916	20	30		FDEDRO
C[C@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)CC[N@@H+]1CCO	ZINC000190247916	537157844	/nfs/dbraw/zinc/15/78/44/537157844.db2.gz	UWRNCWGWKPRJHC-KRWDZBQOSA-N	1	0	353.470	1.962	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)NCCSCc2ccccc2C#N)C1	ZINC000265634098	537163012	/nfs/dbraw/zinc/16/30/12/537163012.db2.gz	SKRXQBWLCXIOSA-KRWDZBQOSA-N	1	0	362.499	1.811	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@@]2(O)C[C@H](OCC)C2(C)C)CC1	ZINC000190559357	537178216	/nfs/dbraw/zinc/17/82/16/537178216.db2.gz	PFTGYLRUBKNAIA-LPHOPBHVSA-N	1	0	353.507	1.892	20	30		FDEDRO
C[C@H](O)[C@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1	ZINC000248537543	537190199	/nfs/dbraw/zinc/19/01/99/537190199.db2.gz	HHJLLEROVURMSP-HRCADAONSA-N	1	0	362.499	1.160	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H]1CO	ZINC000248862069	537216929	/nfs/dbraw/zinc/21/69/29/537216929.db2.gz	AEJSLGJUVVZHDZ-BBRMVZONSA-N	1	0	354.372	1.876	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(C#N)nc1	ZINC000248924837	537221321	/nfs/dbraw/zinc/22/13/21/537221321.db2.gz	XAXZVXFAHRPZQD-KBXCAEBGSA-N	1	0	356.451	1.752	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)[C@@H]1CO	ZINC000248986459	537224057	/nfs/dbraw/zinc/22/40/57/537224057.db2.gz	WJCZQEJHSHHENV-BZUAXINKSA-N	1	0	362.499	1.160	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC[C@@H]1O	ZINC000249558319	537238478	/nfs/dbraw/zinc/23/84/78/537238478.db2.gz	KSGCDUNZUPVHMT-LZQZEXGQSA-N	1	0	374.460	1.237	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H]1C(=O)NCC[C@@H]1C	ZINC000249598100	537239498	/nfs/dbraw/zinc/23/94/98/537239498.db2.gz	QBPVYOQTEHQOJK-IGCXYCKISA-N	1	0	360.483	1.991	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000250291451	537244664	/nfs/dbraw/zinc/24/46/64/537244664.db2.gz	TWFHVDNQVKRCIT-OALUTQOASA-N	1	0	369.513	1.054	20	30		FDEDRO
C[C@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000193648410	537253616	/nfs/dbraw/zinc/25/36/16/537253616.db2.gz	NVTCHBGXTAQTEY-BLLLJJGKSA-N	1	0	367.371	1.287	20	30		FDEDRO
Cc1c(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cnn1C1CCCC1	ZINC000194066592	537258697	/nfs/dbraw/zinc/25/86/97/537258697.db2.gz	JBBZPSHPRMZIBT-UHFFFAOYSA-N	1	0	374.489	1.939	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1	ZINC000278277908	537289343	/nfs/dbraw/zinc/28/93/43/537289343.db2.gz	GAEVHEJIXAJRBW-CQSZACIVSA-N	1	0	374.441	1.122	20	30		FDEDRO
C#CC[C@@H](NC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1	ZINC000270175094	537292105	/nfs/dbraw/zinc/29/21/05/537292105.db2.gz	DANZNZWHOUDTBO-MOPGFXCFSA-N	1	0	370.497	1.993	20	30		FDEDRO
CC1CC[NH+](CCCNC(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1	ZINC000270207990	537294570	/nfs/dbraw/zinc/29/45/70/537294570.db2.gz	QJJWAGVPRWHIPH-UHFFFAOYSA-N	1	0	354.454	1.686	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3nc(C)nn3c2)CC1	ZINC000290241839	537297034	/nfs/dbraw/zinc/29/70/34/537297034.db2.gz	MDQVNLICMADTRX-UHFFFAOYSA-N	1	0	356.430	1.133	20	30		FDEDRO
C=C(C)Cn1c(C2CC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000293088801	537335298	/nfs/dbraw/zinc/33/52/98/537335298.db2.gz	TUPWBHIMYUEOLG-INIZCTEOSA-N	1	0	358.490	1.474	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(c3nc(C)cc(C)n3)CC2)CC1	ZINC000272780049	537339644	/nfs/dbraw/zinc/33/96/44/537339644.db2.gz	AEQVTUVSEOEDHQ-UHFFFAOYSA-N	1	0	372.517	1.966	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N(CCC)CCC[NH+](C)C)cc1	ZINC000276225192	537343078	/nfs/dbraw/zinc/34/30/78/537343078.db2.gz	IWSVSCRVFBQEDR-UHFFFAOYSA-N	1	0	374.485	1.731	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccccc1C[NH+]1CCCC1	ZINC000282918251	537346858	/nfs/dbraw/zinc/34/68/58/537346858.db2.gz	GZTAHKCAOLNHDJ-HNNXBMFYSA-N	1	0	350.488	1.851	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1	ZINC000283099580	537352569	/nfs/dbraw/zinc/35/25/69/537352569.db2.gz	XCXIAHUTFSBDQK-ZDUSSCGKSA-N	1	0	374.457	1.807	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCC2(S(C)(=O)=O)CCC2)cc1OC	ZINC000279959266	537359629	/nfs/dbraw/zinc/35/96/29/537359629.db2.gz	INOOWTPFDJOSNW-UHFFFAOYSA-N	1	0	369.487	1.118	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCCN(C)c2ccccc2)CC1	ZINC000283253876	537360575	/nfs/dbraw/zinc/36/05/75/537360575.db2.gz	BKMVYPMOHLSPSK-UHFFFAOYSA-N	1	0	358.486	1.396	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCc2ccccc2OC)CC1	ZINC000283328815	537369710	/nfs/dbraw/zinc/36/97/10/537369710.db2.gz	GEDAZCBOARAGMN-UHFFFAOYSA-N	1	0	359.470	1.511	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1	ZINC000286056814	537415895	/nfs/dbraw/zinc/41/58/95/537415895.db2.gz	AYPRUCAQUGRORG-OAHLLOKOSA-N	1	0	359.470	1.809	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1	ZINC000299041950	537416733	/nfs/dbraw/zinc/41/67/33/537416733.db2.gz	GBDVPVVTFTZGAM-IRXDYDNUSA-N	1	0	370.453	1.284	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCC1([NH+](C)C)CCC1	ZINC000287888426	537447539	/nfs/dbraw/zinc/44/75/39/537447539.db2.gz	TXZJSQNHXUUQDF-UHFFFAOYSA-N	1	0	354.454	1.673	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCC[N@@H+](CC)CCC	ZINC000287959239	537450037	/nfs/dbraw/zinc/45/00/37/537450037.db2.gz	AHDOBSHMSYWOTK-UHFFFAOYSA-N	1	0	356.470	1.921	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNS(=O)(=O)Cc2ccc(C#N)cc2)CC1	ZINC000288400976	537496483	/nfs/dbraw/zinc/49/64/83/537496483.db2.gz	QKRQXOSGDZFMAI-UHFFFAOYSA-N	1	0	351.472	1.213	20	30		FDEDRO
C=CC[C@H](CC)NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1	ZINC000281417020	537538478	/nfs/dbraw/zinc/53/84/78/537538478.db2.gz	KCCBYZQOCOWAAM-ZDUSSCGKSA-N	1	0	374.441	1.566	20	30		FDEDRO
COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)cc1C	ZINC000289492031	537572525	/nfs/dbraw/zinc/57/25/25/537572525.db2.gz	JDHSFDUAAHWWDN-UHFFFAOYSA-N	1	0	365.499	1.988	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1	ZINC000281747827	537579909	/nfs/dbraw/zinc/57/99/09/537579909.db2.gz	VVNSEUPVHPZHPJ-UHFFFAOYSA-N	1	0	353.426	1.585	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cnc(C(F)(F)F)c(C#N)c3)[C@H]2C1	ZINC000293793324	537592023	/nfs/dbraw/zinc/59/20/23/537592023.db2.gz	CQIBLMSTAFZLTP-STQMWFEESA-N	1	0	354.332	1.517	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCC[C@@H]2CCC[NH2+]C2)cc1	ZINC000236670503	537594053	/nfs/dbraw/zinc/59/40/53/537594053.db2.gz	IYDIMUJYCOPTLT-AWEZNQCLSA-N	1	0	351.472	1.270	20	30		FDEDRO
CCOC(=O)CCCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000305016757	537598767	/nfs/dbraw/zinc/59/87/67/537598767.db2.gz	MDIALNXFMCNHND-ZDUSSCGKSA-N	1	0	354.451	1.210	20	30		FDEDRO
C=CCNC(=O)c1ccc(N2CCC[C@H](C[NH+]3CCN(C)CC3)C2)nc1	ZINC000362984667	537600967	/nfs/dbraw/zinc/60/09/67/537600967.db2.gz	TXCCRVZWQCLYSR-QGZVFWFLSA-N	1	0	357.502	1.461	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccc(OC)cc1	ZINC000293892057	537618921	/nfs/dbraw/zinc/61/89/21/537618921.db2.gz	DNAYQGJKLSKBQD-AZUAARDMSA-N	1	0	371.481	1.676	20	30		FDEDRO
C=CCn1c(=O)c2ccc(C(=O)N3CCC[C@@H](C[NH2+]C)C3)cc2[n-]c1=S	ZINC000237260052	537619857	/nfs/dbraw/zinc/61/98/57/537619857.db2.gz	XNFHWEVXBHZJOP-ZDUSSCGKSA-N	1	0	372.494	1.943	20	30		FDEDRO
C#CCNC(=O)CCN(C)[C@H](C(=O)OC)c1cccc(Br)c1	ZINC000293917126	537624867	/nfs/dbraw/zinc/62/48/67/537624867.db2.gz	XNCPKKMGLYGLRS-HNNXBMFYSA-N	1	0	367.243	1.735	20	30		FDEDRO
Cc1nc(C(C)(C)NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)no1	ZINC000329416954	537637055	/nfs/dbraw/zinc/63/70/55/537637055.db2.gz	FVQFGXZFZFKGRE-CABCVRRESA-N	1	0	365.478	1.885	20	30		FDEDRO
C[C@@H]1[C@H](N2CCOCC2)CCN1CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000289965489	537637760	/nfs/dbraw/zinc/63/77/60/537637760.db2.gz	WUMPLOMIPQVXFG-CRAIPNDOSA-N	1	0	363.483	1.127	20	30		FDEDRO
CC(C)CNC(=O)N1CCC[C@H](C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)C1	ZINC000329596324	537639124	/nfs/dbraw/zinc/63/91/24/537639124.db2.gz	VTMXEHVVVUMNJR-DLBZAZTESA-N	1	0	350.507	1.821	20	30		FDEDRO
O=C(C[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1)NC(=O)Nc1ccc2c(c1)OCCO2	ZINC000329609524	537640575	/nfs/dbraw/zinc/64/05/75/537640575.db2.gz	BUUQPSMUKRXANL-FPMFFAJLSA-N	1	0	361.398	1.663	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)CCc1ccc(S(=O)(=O)CC)cc1	ZINC000294050656	537647364	/nfs/dbraw/zinc/64/73/64/537647364.db2.gz	UDVIRMRDOSIOOV-UHFFFAOYSA-N	1	0	350.484	1.484	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1	ZINC000294053143	537647761	/nfs/dbraw/zinc/64/77/61/537647761.db2.gz	UKZIELOQCVTRET-UHFFFAOYSA-N	1	0	365.499	1.402	20	30		FDEDRO
CCS(=O)(=O)C1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)CC1	ZINC000330007767	537649324	/nfs/dbraw/zinc/64/93/24/537649324.db2.gz	DVLFFRWGYCLDTC-UHFFFAOYSA-N	1	0	357.520	1.816	20	30		FDEDRO
CC(C)(C)[C@@H]1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)C[C@@H]1O	ZINC000290025929	537651736	/nfs/dbraw/zinc/65/17/36/537651736.db2.gz	TUWUEKPUNSVYRX-CABCVRRESA-N	1	0	351.472	1.456	20	30		FDEDRO
CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1	ZINC000330667147	537659609	/nfs/dbraw/zinc/65/96/09/537659609.db2.gz	XAIMAQFOHAEPEK-FZKCQIBNSA-N	1	0	370.563	1.915	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1	ZINC000290065487	537662092	/nfs/dbraw/zinc/66/20/92/537662092.db2.gz	NLTAIWXZMBKELI-HXUWFJFHSA-N	1	0	361.486	1.603	20	30		FDEDRO
CC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC2)CC1	ZINC000291720931	537667895	/nfs/dbraw/zinc/66/78/95/537667895.db2.gz	DWCVCMSDJVLOEC-KRWDZBQOSA-N	1	0	366.469	1.995	20	30		FDEDRO
COCCCN(C(=O)CNC(=O)c1ccc(C#N)cc1)C1CC[NH+](C)CC1	ZINC000291915191	537691131	/nfs/dbraw/zinc/69/11/31/537691131.db2.gz	TVJZODQVYWNMQQ-UHFFFAOYSA-N	1	0	372.469	1.247	20	30		FDEDRO
CC(C)C[NH+]1CCC(NC(=O)C(=O)N(C)Cc2cccc(C#N)c2)CC1	ZINC000285419195	537707680	/nfs/dbraw/zinc/70/76/80/537707680.db2.gz	WYGJTMHYYGXBEL-UHFFFAOYSA-N	1	0	356.470	1.753	20	30		FDEDRO
CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1	ZINC000285560356	537730303	/nfs/dbraw/zinc/73/03/03/537730303.db2.gz	SMAJKJZRVXGIDP-SJORKVTESA-N	1	0	361.442	1.851	20	30		FDEDRO
C=CCC[C@@H](O)C[N@H+]1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000375897782	537791779	/nfs/dbraw/zinc/79/17/79/537791779.db2.gz	LOPGFGQZPGSKOZ-IAGOWNOFSA-N	1	0	353.507	1.941	20	30		FDEDRO
CCOC(=O)C1(NC(=O)[C@H](C)Oc2ccccc2C#N)CC[NH+](C)CC1	ZINC000371261369	537792575	/nfs/dbraw/zinc/79/25/75/537792575.db2.gz	XOZZBMCEAWTDPK-AWEZNQCLSA-N	1	0	359.426	1.469	20	30		FDEDRO
CN(CCC#N)C(=O)CCN1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21	ZINC000404199783	537804569	/nfs/dbraw/zinc/80/45/69/537804569.db2.gz	PFKSJQXTZLJRTG-VQTJNVASSA-N	1	0	370.497	1.724	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@H]1CO	ZINC000366654205	537811805	/nfs/dbraw/zinc/81/18/05/537811805.db2.gz	OKUKVUZNFBIOOP-SJORKVTESA-N	1	0	363.483	1.477	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1	ZINC000366677215	537819272	/nfs/dbraw/zinc/81/92/72/537819272.db2.gz	HVVBVEHKEKNABA-QYZOEREBSA-N	1	0	364.534	1.779	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1	ZINC000366710159	537828430	/nfs/dbraw/zinc/82/84/30/537828430.db2.gz	OTGNSPIXRGLBML-IBGZPJMESA-N	1	0	374.529	1.955	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21	ZINC000371752069	537830303	/nfs/dbraw/zinc/83/03/03/537830303.db2.gz	DSZBDYLEJWWYBR-GBESFXJTSA-N	1	0	370.497	1.889	20	30		FDEDRO
COC(=O)[C@H]1CC[C@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000376129331	537842693	/nfs/dbraw/zinc/84/26/93/537842693.db2.gz	SFIGZCMOBAAKDK-SJORKVTESA-N	1	0	355.438	1.860	20	30		FDEDRO
N#CCNC(=O)CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1	ZINC000376198548	537845686	/nfs/dbraw/zinc/84/56/86/537845686.db2.gz	OVNFAYVZXIOIIC-MRXNPFEDSA-N	1	0	368.359	1.197	20	30		FDEDRO
CC[NH+](CC)C[C@@H]1CCCC[C@H]1NS(=O)(=O)N(CCC#N)CCOC	ZINC000409485315	537852652	/nfs/dbraw/zinc/85/26/52/537852652.db2.gz	NYGJOVNLEQBYLJ-DLBZAZTESA-N	1	0	374.551	1.583	20	30		FDEDRO
N#C[C@H]1CN(S(=O)(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCO1	ZINC000409551529	537860844	/nfs/dbraw/zinc/86/08/44/537860844.db2.gz	JIFOTKRPLXNCRV-INIZCTEOSA-N	1	0	370.519	1.234	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000409581252	537865503	/nfs/dbraw/zinc/86/55/03/537865503.db2.gz	RUSIWCGMOOQDQX-QGZVFWFLSA-N	1	0	350.488	1.721	20	30		FDEDRO
N#Cc1ccccc1OC1CCC(NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1	ZINC000419035837	537902903	/nfs/dbraw/zinc/90/29/03/537902903.db2.gz	OZGYDUUMARCYLQ-KLAILNCOSA-N	1	0	370.453	1.314	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)c1	ZINC000411975186	537919471	/nfs/dbraw/zinc/91/94/71/537919471.db2.gz	ZNYDCBYAEAHEEJ-OAQYLSRUSA-N	1	0	362.433	1.303	20	30		FDEDRO
N#CCCN(C(=O)C[NH2+][C@H](CO)[C@@H]1CCCOC1)c1cccc(Cl)c1	ZINC000411990754	537925030	/nfs/dbraw/zinc/92/50/30/537925030.db2.gz	IMKDGIUGNBAVMQ-RHSMWYFYSA-N	1	0	365.861	1.964	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1	ZINC000377140354	537956222	/nfs/dbraw/zinc/95/62/22/537956222.db2.gz	MCJHLGRYIKEEDC-YYFZDKIDSA-N	1	0	365.437	1.623	20	30		FDEDRO
O=S1(=O)CC[C@H]([NH2+]C2CCN(CC#Cc3cccc(Cl)c3)CC2)C1	ZINC000368423459	537980042	/nfs/dbraw/zinc/98/00/42/537980042.db2.gz	WZJRTGUOELRBNJ-SFHVURJKSA-N	1	0	366.914	1.933	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)N1CCC([NH+]2CCCC2)CC1	ZINC000410823984	537990760	/nfs/dbraw/zinc/99/07/60/537990760.db2.gz	KYTAJNIUGQTGFA-UHFFFAOYSA-N	1	0	359.470	1.924	20	30		FDEDRO
C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000415286208	537991020	/nfs/dbraw/zinc/99/10/20/537991020.db2.gz	SSEUWSHXUUPEJY-NSHDSACASA-N	1	0	368.359	1.974	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1	ZINC000368924522	537994211	/nfs/dbraw/zinc/99/42/11/537994211.db2.gz	AWEKDYAYEZDFMF-INIZCTEOSA-N	1	0	363.483	1.461	20	30		FDEDRO
C[C@H](NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C#N)cc1	ZINC000417106446	538003076	/nfs/dbraw/zinc/00/30/76/538003076.db2.gz	GFYPODCCQWEYFH-SWLSCSKDSA-N	1	0	369.391	1.755	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)ccc1OC(F)(F)F	ZINC000415454251	538057953	/nfs/dbraw/zinc/05/79/53/538057953.db2.gz	NSSJBTQJDMIGJL-LLVKDONJSA-N	1	0	356.304	1.249	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1	ZINC000369755964	538059655	/nfs/dbraw/zinc/05/96/55/538059655.db2.gz	CAZWPUKAZYJEDT-KRWDZBQOSA-N	1	0	360.502	1.518	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1=O	ZINC000369755144	538060163	/nfs/dbraw/zinc/06/01/63/538060163.db2.gz	OGBBRNUNHVKEQP-UHOSZYNNSA-N	1	0	370.497	1.935	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC[C@H]1[NH3+]	ZINC000415464203	538062663	/nfs/dbraw/zinc/06/26/63/538062663.db2.gz	RAJUQGQEEITANB-BXKDBHETSA-N	1	0	370.331	1.591	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)cc1	ZINC000419458887	538071661	/nfs/dbraw/zinc/07/16/61/538071661.db2.gz	CEKOQBYDAUFWEP-QGZVFWFLSA-N	1	0	358.442	1.077	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)C[NH2+]1	ZINC000415569126	538079281	/nfs/dbraw/zinc/07/92/81/538079281.db2.gz	RGOJBGRRLOSIED-ZJUUUORDSA-N	1	0	354.332	1.724	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c1	ZINC000373061451	538089940	/nfs/dbraw/zinc/08/99/40/538089940.db2.gz	ZETBCINJMKGVES-FZMZJTMJSA-N	1	0	370.272	1.693	20	30		FDEDRO
CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]Cc2cnc3ccc(C#N)cn23)C1=O	ZINC000371087495	538098893	/nfs/dbraw/zinc/09/88/93/538098893.db2.gz	BIEHSSLXATVAGN-SCLBCKFNSA-N	1	0	352.398	1.016	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1	ZINC000419867826	538123778	/nfs/dbraw/zinc/12/37/78/538123778.db2.gz	BCXUGOQLGUMZJF-CRAIPNDOSA-N	1	0	356.470	1.801	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1	ZINC000419867834	538124041	/nfs/dbraw/zinc/12/40/41/538124041.db2.gz	BCXUGOQLGUMZJF-MAUKXSAKSA-N	1	0	356.470	1.801	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1	ZINC000419896822	538136203	/nfs/dbraw/zinc/13/62/03/538136203.db2.gz	QFSJAZHVQUTIKD-ZWKOTPCHSA-N	1	0	359.470	1.682	20	30		FDEDRO
C=CCCOCCNC(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1	ZINC000422189169	538181710	/nfs/dbraw/zinc/18/17/10/538181710.db2.gz	VJGIEAOWGQULCL-UHFFFAOYSA-N	1	0	352.523	1.781	20	30		FDEDRO
C[N@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1S(N)(=O)=O	ZINC000432985797	538192937	/nfs/dbraw/zinc/19/29/37/538192937.db2.gz	SDWXWNKUNFIGHM-UHFFFAOYSA-N	1	0	351.472	1.866	20	30		FDEDRO
CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000420080505	538207869	/nfs/dbraw/zinc/20/78/69/538207869.db2.gz	KQGMDXMNNGLCSL-UHFFFAOYSA-N	1	0	372.469	1.562	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H](CC)O[C@@H](CC)C2)CC1	ZINC000422299095	538218978	/nfs/dbraw/zinc/21/89/78/538218978.db2.gz	SWOVUUVQBNRLKG-IRXDYDNUSA-N	1	0	351.491	1.559	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1	ZINC000424055217	538226279	/nfs/dbraw/zinc/22/62/79/538226279.db2.gz	QZQWHRFUNNJWLV-LZWOXQAQSA-N	1	0	365.499	1.596	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1	ZINC000424090286	538231256	/nfs/dbraw/zinc/23/12/56/538231256.db2.gz	IUNSCSBXSNMKSP-HNNXBMFYSA-N	1	0	364.833	1.772	20	30		FDEDRO
CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)[C@H]([NH3+])CCCC#N	ZINC000424091375	538231926	/nfs/dbraw/zinc/23/19/26/538231926.db2.gz	MORNWWRIXTUHHG-DZGCQCFKSA-N	1	0	373.375	1.925	20	30		FDEDRO
CCC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C(=O)N1CCc2sccc2C1	ZINC000424112355	538235835	/nfs/dbraw/zinc/23/58/35/538235835.db2.gz	JJAYTQFIMCCHHK-GJZGRUSLSA-N	1	0	362.499	1.939	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1	ZINC000424116207	538238437	/nfs/dbraw/zinc/23/84/37/538238437.db2.gz	XCQDXIAPHGQBNL-QGZVFWFLSA-N	1	0	360.433	1.450	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)cc1	ZINC000433424121	538241257	/nfs/dbraw/zinc/24/12/57/538241257.db2.gz	QWZFFQGYUJTOSW-OAHLLOKOSA-N	1	0	369.429	1.762	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NCc1cccc(NC(=O)c2ccccn2)c1	ZINC000424126476	538243053	/nfs/dbraw/zinc/24/30/53/538243053.db2.gz	BTYFUFQZDZPTMX-INIZCTEOSA-N	1	0	351.410	1.971	20	30		FDEDRO
CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(=O)NCC(C)(C)CC#N	ZINC000422478758	538277883	/nfs/dbraw/zinc/27/78/83/538277883.db2.gz	IKWGCGNTJTZIOG-UHFFFAOYSA-N	1	0	371.485	1.812	20	30		FDEDRO
CC(C)[C@H](CO)[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C(C)C	ZINC000451593429	538284051	/nfs/dbraw/zinc/28/40/51/538284051.db2.gz	HZANJQTXZLAEJJ-RDJZCZTQSA-N	1	0	353.488	1.606	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1Br	ZINC000420427263	538292716	/nfs/dbraw/zinc/29/27/16/538292716.db2.gz	QUQZHKZZMZFEBG-GHMZBOCLSA-N	1	0	358.261	1.869	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2cc(OC)c(S(N)(=O)=O)s2)CC1	ZINC000446924061	538331187	/nfs/dbraw/zinc/33/11/87/538331187.db2.gz	ZRQLJBNHSFFFAE-UHFFFAOYSA-N	1	0	373.500	1.174	20	30		FDEDRO
C=CCCn1cc(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)nn1	ZINC000424580618	538333099	/nfs/dbraw/zinc/33/30/99/538333099.db2.gz	FQPZRFJWATXRPT-UHFFFAOYSA-N	1	0	368.485	1.796	20	30		FDEDRO
CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2cccc(C)c2C#N)CC1	ZINC000452050984	538355826	/nfs/dbraw/zinc/35/58/26/538355826.db2.gz	SALFFZHJLGIMEG-UHFFFAOYSA-N	1	0	364.515	1.561	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1	ZINC000437385321	538415893	/nfs/dbraw/zinc/41/58/93/538415893.db2.gz	MAHMLMODHDMLCO-CQSZACIVSA-N	1	0	373.457	1.523	20	30		FDEDRO
C=CCC[C@@H](CO)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1	ZINC000454063945	538501975	/nfs/dbraw/zinc/50/19/75/538501975.db2.gz	XMTFBMUFAFFZFE-SFHVURJKSA-N	1	0	359.470	1.707	20	30		FDEDRO
CC[NH+](CC)CCOC1CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC1	ZINC000466747424	538567939	/nfs/dbraw/zinc/56/79/39/538567939.db2.gz	IYAXPTJXFRLTLY-IBGZPJMESA-N	1	0	352.523	1.864	20	30		FDEDRO
CCC[N@H+](CC)CCNC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1	ZINC000472072243	538570646	/nfs/dbraw/zinc/57/06/46/538570646.db2.gz	CXYLHTUJGAJJBY-UHFFFAOYSA-N	1	0	361.494	1.164	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)N(C)CCC#N	ZINC000487160296	538612041	/nfs/dbraw/zinc/61/20/41/538612041.db2.gz	XTFLGLQTRWVAKI-DOTOQJQBSA-N	1	0	350.488	1.577	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC(=O)OC)cc1	ZINC000467192541	538625827	/nfs/dbraw/zinc/62/58/27/538625827.db2.gz	UXXZKRRWVOQYSK-QWHCGFSZSA-N	1	0	363.414	1.289	20	30		FDEDRO
COCC[N@H+](C)CC[C@@H](NS(=O)(=O)CC1(C#N)CC1)c1ccccc1	ZINC000463411133	538684849	/nfs/dbraw/zinc/68/48/49/538684849.db2.gz	BQRKXSWBUPMIFX-QGZVFWFLSA-N	1	0	365.499	1.919	20	30		FDEDRO
C[N@H+](CCN1CCN(C(=O)c2cc(C#N)ccn2)CC1)Cc1ccccc1	ZINC000496500095	538707469	/nfs/dbraw/zinc/70/74/69/538707469.db2.gz	WBRKNFGPOSYFBP-UHFFFAOYSA-N	1	0	363.465	1.843	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CC[N@@H+](C2CCOCC2)C[C@H]1C	ZINC000488681038	538761213	/nfs/dbraw/zinc/76/12/13/538761213.db2.gz	ZOXJZDDGHUFTLW-JTDSTZFVSA-N	1	0	350.507	1.614	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1OC	ZINC000498481963	538832589	/nfs/dbraw/zinc/83/25/89/538832589.db2.gz	RMVABEQJVWPPNP-XHSDSOJGSA-N	1	0	372.469	1.835	20	30		FDEDRO
C[C@H]1CN(C(=O)NCc2cccc(C#N)c2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000485560269	538846642	/nfs/dbraw/zinc/84/66/42/538846642.db2.gz	HKVGGZHAIAXWCH-QFBILLFUSA-N	1	0	355.486	1.726	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)NCC(=O)NCC[NH+]1CCCCCC1	ZINC000560771711	545600782	/nfs/dbraw/zinc/60/07/82/545600782.db2.gz	SSKBYVFWCGRIAG-INIZCTEOSA-N	1	0	372.469	1.434	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)Cn2ccc3ccccc3c2=O)c1C#N	ZINC000562508524	546161488	/nfs/dbraw/zinc/16/14/88/546161488.db2.gz	YZARESNFCJUZFS-UHFFFAOYSA-N	1	0	364.409	1.387	20	30		FDEDRO
CC(C)OCCN1CCC([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000562992779	546345082	/nfs/dbraw/zinc/34/50/82/546345082.db2.gz	XWZHQTTZZMZMKG-LJQANCHMSA-N	1	0	361.486	1.777	20	30		FDEDRO
Cc1nc(SCC(=O)NCCCN2CC[NH2+]CC2)c(C#N)c(C)c1C	ZINC000563336334	546492532	/nfs/dbraw/zinc/49/25/32/546492532.db2.gz	GUGYBEUOPYRRFP-UHFFFAOYSA-N	1	0	361.515	1.382	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)cc1	ZINC000564084558	546801854	/nfs/dbraw/zinc/80/18/54/546801854.db2.gz	MKBKYDPISVJNSD-MRXNPFEDSA-N	1	0	363.421	1.219	20	30		FDEDRO
C[C@H]1CN(C(=O)NCc2ccc(CC#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000564204968	546843912	/nfs/dbraw/zinc/84/39/12/546843912.db2.gz	KTGOHFPSVQRMRB-FXAWDEMLSA-N	1	0	369.513	1.920	20	30		FDEDRO
N#CCCN(C(=O)C[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1)c1ccccc1	ZINC000564288968	546868832	/nfs/dbraw/zinc/86/88/32/546868832.db2.gz	AVYALLGTRRPIMN-QXAKKESOSA-N	1	0	357.454	1.795	20	30		FDEDRO
Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)Cn3cnc(C#N)n3)C2)s1	ZINC000564371346	546895202	/nfs/dbraw/zinc/89/52/02/546895202.db2.gz	PGLZRLUPEIRLDQ-CQSZACIVSA-N	1	0	358.471	1.500	20	30		FDEDRO
CCO[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)[C@H]1n1cccn1	ZINC000564723716	547016120	/nfs/dbraw/zinc/01/61/20/547016120.db2.gz	PWLVIFRURDQJDK-RCCFBDPRSA-N	1	0	374.466	1.537	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1	ZINC000564756542	547026874	/nfs/dbraw/zinc/02/68/74/547026874.db2.gz	VZWYQDXWAXEUFY-MAUKXSAKSA-N	1	0	366.465	1.814	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CCN(CC(F)(F)F)C2)c1	ZINC000564794154	547040619	/nfs/dbraw/zinc/04/06/19/547040619.db2.gz	VQKGUGYMTNOLNE-CYBMUJFWSA-N	1	0	361.389	1.558	20	30		FDEDRO
N#Cc1cnn2cc(CNC[C@@H](O)C[N@@H+]3CCc4ccccc4C3)cnc12	ZINC000564984746	547144468	/nfs/dbraw/zinc/14/44/68/547144468.db2.gz	AHFKWIBZLNQVLH-LJQANCHMSA-N	1	0	362.437	1.110	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)c1	ZINC000565190378	547243913	/nfs/dbraw/zinc/24/39/13/547243913.db2.gz	SSTRZNJWKGNZAF-SFHVURJKSA-N	1	0	370.453	1.519	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](C(=O)NC[C@@]3(O)C[NH+]4CCC3CC4)C2)c(F)c1	ZINC000565194279	547246380	/nfs/dbraw/zinc/24/63/80/547246380.db2.gz	CHZSIHNQSHTUQW-MGPUTAFESA-N	1	0	372.444	1.097	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000565230355	547264132	/nfs/dbraw/zinc/26/41/32/547264132.db2.gz	YCHZBGTUGWBVEC-QZTJIDSGSA-N	1	0	365.518	1.733	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1	ZINC000566063215	547585003	/nfs/dbraw/zinc/58/50/03/547585003.db2.gz	JIVYMYXDZZUBJX-KURKYZTESA-N	1	0	350.894	1.881	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]CC1(CN2CCOCC2)CCCCC1	ZINC000566112694	547608625	/nfs/dbraw/zinc/60/86/25/547608625.db2.gz	QMUFZJQWDVKGSI-SFHVURJKSA-N	1	0	352.523	1.065	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000566113724	547609695	/nfs/dbraw/zinc/60/96/95/547609695.db2.gz	YGGIDSFKZHYFQS-ADKAHSJRSA-N	1	0	357.458	1.439	20	30		FDEDRO
N#Cc1ccc(OCC(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1	ZINC000566408208	547743854	/nfs/dbraw/zinc/74/38/54/547743854.db2.gz	UPCKVKLFRIBVOR-WMZOPIPTSA-N	1	0	370.453	1.044	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1=O	ZINC000567345671	548085952	/nfs/dbraw/zinc/08/59/52/548085952.db2.gz	PQSZGUNTUWFCJT-HZPDHXFCSA-N	1	0	350.850	1.241	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]CCC(=O)NC2CCCCC2)c1	ZINC000567377930	548098193	/nfs/dbraw/zinc/09/81/93/548098193.db2.gz	JAUSWYUJHOJSHO-UHFFFAOYSA-N	1	0	363.483	1.761	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c1	ZINC000567686462	548212074	/nfs/dbraw/zinc/21/20/74/548212074.db2.gz	JCQMQFDKJTVCPM-RDJZCZTQSA-N	1	0	350.440	1.260	20	30		FDEDRO
CC#CCC[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)CCC	ZINC000567711795	548224688	/nfs/dbraw/zinc/22/46/88/548224688.db2.gz	QRTBVKYPMWUMBC-UHFFFAOYSA-N	1	0	357.497	1.647	20	30		FDEDRO
N#CCc1ccc(CNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cc1	ZINC000567820049	548273449	/nfs/dbraw/zinc/27/34/49/548273449.db2.gz	DWRLSORVVVXBGA-KRWDZBQOSA-N	1	0	357.458	1.282	20	30		FDEDRO
CO[C@H]1c2ccccc2C[C@H]1[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000568366233	548507044	/nfs/dbraw/zinc/50/70/44/548507044.db2.gz	UDALJYQHMYETMF-AEFFLSMTSA-N	1	0	357.435	1.629	20	30		FDEDRO
C=CCn1c(C(=O)NC(C)C)nnc1N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1	ZINC000568834597	548696010	/nfs/dbraw/zinc/69/60/10/548696010.db2.gz	MIFLWSIHFMLZCG-ARFHVFGLSA-N	1	0	360.506	1.769	20	30		FDEDRO
CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000569164614	548818902	/nfs/dbraw/zinc/81/89/02/548818902.db2.gz	ASUDUHAKZAHOLJ-JKSUJKDBSA-N	1	0	373.505	1.689	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cn1nnc2c1CCCC2	ZINC000569352712	548886338	/nfs/dbraw/zinc/88/63/38/548886338.db2.gz	BAMQQKOMYHJRDJ-UHFFFAOYSA-N	1	0	366.469	1.619	20	30		FDEDRO
C=CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000569427884	548912285	/nfs/dbraw/zinc/91/22/85/548912285.db2.gz	RNHKQVKXAAKIGV-DLBZAZTESA-N	1	0	361.490	1.864	20	30		FDEDRO
COCC1(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCOCC1	ZINC000569449284	548920324	/nfs/dbraw/zinc/92/03/24/548920324.db2.gz	HFGMCSXLCYKQHS-UHFFFAOYSA-N	1	0	352.456	1.365	20	30		FDEDRO
N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CC[C@@H]2CCNC2=O)CC1	ZINC000569658052	548996994	/nfs/dbraw/zinc/99/69/94/548996994.db2.gz	ADPLNHMWATUAPG-ZDUSSCGKSA-N	1	0	355.398	1.454	20	30		FDEDRO
CCO[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)[C@@H]1n1cccn1	ZINC000569804186	549053018	/nfs/dbraw/zinc/05/30/18/549053018.db2.gz	LDTNGOJFSVSFLO-KURKYZTESA-N	1	0	374.466	1.537	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)C[C@@H]1CCC[N@@H+]1C	ZINC000569955903	549108154	/nfs/dbraw/zinc/10/81/54/549108154.db2.gz	XXDPZLZBQWIPOZ-INIZCTEOSA-N	1	0	354.458	1.703	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2)CC1	ZINC000570562203	549325500	/nfs/dbraw/zinc/32/55/00/549325500.db2.gz	SAJWDGCEIGLWPR-NSHGMRRFSA-N	1	0	363.550	1.530	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@H](N4CCOCC4)C3)C2=O)cc1	ZINC000571057114	549509965	/nfs/dbraw/zinc/50/99/65/549509965.db2.gz	JPNSQHNIRKRDNQ-PMACEKPBSA-N	1	0	368.481	1.850	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCOC3(CCCC3)C2)CC1	ZINC000571152929	549543587	/nfs/dbraw/zinc/54/35/87/549543587.db2.gz	YWSGWTXTJFGZBR-QGZVFWFLSA-N	1	0	363.502	1.751	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1	ZINC000571162084	549548258	/nfs/dbraw/zinc/54/82/58/549548258.db2.gz	BRJADNALIJBZND-IAGOWNOFSA-N	1	0	364.877	1.851	20	30		FDEDRO
COc1ccc2c(c1)OC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C2	ZINC000571670763	549729813	/nfs/dbraw/zinc/72/98/13/549729813.db2.gz	JCOGCOAEQIFTTE-INIZCTEOSA-N	1	0	372.446	1.934	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c1	ZINC000572114192	549845046	/nfs/dbraw/zinc/84/50/46/549845046.db2.gz	HGNUDCQIJGNTQW-AEFFLSMTSA-N	1	0	373.434	1.552	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)NCC[C@@H]3CC[NH2+]C3)C2=O)cc1	ZINC000572134970	549850071	/nfs/dbraw/zinc/85/00/71/549850071.db2.gz	NCWQGESJAUEZKK-DOTOQJQBSA-N	1	0	355.442	1.352	20	30		FDEDRO
COC(=O)c1cc(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)oc1C	ZINC000572148922	549853049	/nfs/dbraw/zinc/85/30/49/549853049.db2.gz	JSAFZWHKTWOOTB-OAHLLOKOSA-N	1	0	358.394	1.970	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)Cc2ccc(CC#N)cc2)C[C@H]1[NH+](C)C	ZINC000572757467	549988434	/nfs/dbraw/zinc/98/84/34/549988434.db2.gz	NTGZKBDANSPEQH-HZPDHXFCSA-N	1	0	353.513	1.560	20	30		FDEDRO
C=CCN(C(=O)[C@@H]([NH3+])CCC(=O)OC)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000572764974	549989516	/nfs/dbraw/zinc/98/95/16/549989516.db2.gz	WVWDRMWBLRDGGU-BBRMVZONSA-N	1	0	372.429	1.018	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cccc(-n3cccn3)c2C#N)CC1	ZINC000572985887	550038821	/nfs/dbraw/zinc/03/88/21/550038821.db2.gz	UNQPVQRXTCZSRC-LJQANCHMSA-N	1	0	364.453	1.487	20	30		FDEDRO
C[NH+]1CCN(c2cccc(C(=O)NCc3cc(F)c(C#N)c(F)c3)n2)CC1	ZINC000573105315	550064976	/nfs/dbraw/zinc/06/49/76/550064976.db2.gz	AOYMTROWMXXVAU-UHFFFAOYSA-N	1	0	371.391	1.913	20	30		FDEDRO
CCO[C@@H]1COC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000573202572	550085788	/nfs/dbraw/zinc/08/57/88/550085788.db2.gz	OWVYNSDTXVSTMQ-RTBURBONSA-N	1	0	372.469	1.579	20	30		FDEDRO
N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1	ZINC000573339097	550115866	/nfs/dbraw/zinc/11/58/66/550115866.db2.gz	DJDXRILVXJTAFN-FZMZJTMJSA-N	1	0	373.363	1.456	20	30		FDEDRO
COCC1(CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC[NH2+]CC1	ZINC000573429392	550135596	/nfs/dbraw/zinc/13/55/96/550135596.db2.gz	CLBAGWGQFSDHNW-MRXNPFEDSA-N	1	0	373.457	1.132	20	30		FDEDRO
CS(=O)(=O)C1(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CCC1	ZINC000573557632	550163686	/nfs/dbraw/zinc/16/36/86/550163686.db2.gz	GWMORVZLJSYRNA-HNNXBMFYSA-N	1	0	352.456	1.049	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2C[C@H]3CCCCN3C2=O)c(OC)c1	ZINC000573595995	550173411	/nfs/dbraw/zinc/17/34/11/550173411.db2.gz	JPIHXSXTHOJCRP-KURKYZTESA-N	1	0	374.481	1.906	20	30		FDEDRO
C=CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C2CCOCC2)CC1	ZINC000574055746	550253104	/nfs/dbraw/zinc/25/31/04/550253104.db2.gz	NAXZNALQHCZKGE-UHFFFAOYSA-N	1	0	374.489	1.001	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N1CC[C@]2(CC[NH2+]C2)C1	ZINC000574811053	550374729	/nfs/dbraw/zinc/37/47/29/550374729.db2.gz	SGNJTQJXZRHUNI-AWEZNQCLSA-N	1	0	370.272	1.695	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)ncc1C#N	ZINC000575135191	550431681	/nfs/dbraw/zinc/43/16/81/550431681.db2.gz	WAXUVCXTPPAIFA-UHFFFAOYSA-N	1	0	351.410	1.578	20	30		FDEDRO
C=CCn1cc(CNC(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)nn1	ZINC000575796646	550476993	/nfs/dbraw/zinc/47/69/93/550476993.db2.gz	KXDSYNZXVGHYSY-DLBZAZTESA-N	1	0	358.421	1.630	20	30		FDEDRO
N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC(=O)N(CCN3CCOCC3)C1)CC2	ZINC000575959435	550495094	/nfs/dbraw/zinc/49/50/94/550495094.db2.gz	YBGZLYZPCYIJSU-PKOBYXMFSA-N	1	0	354.454	1.068	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2cccc(C#N)n2)CC1	ZINC000576374551	550542035	/nfs/dbraw/zinc/54/20/35/550542035.db2.gz	HYRKWSMRPPTEQJ-KRWDZBQOSA-N	1	0	356.474	1.659	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1	ZINC000576810932	550588163	/nfs/dbraw/zinc/58/81/63/550588163.db2.gz	HFKCZNXCCZOSGK-KRWDZBQOSA-N	1	0	357.454	1.563	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c(F)c1	ZINC000576850533	550593024	/nfs/dbraw/zinc/59/30/24/550593024.db2.gz	JEMLAJQIFGHSTF-RDJZCZTQSA-N	1	0	367.446	1.604	20	30		FDEDRO
CC(C)[C@H](CNC(=O)NCCc1cccc(C#N)c1)[NH+]1CCN(C)CC1	ZINC000576896587	550597803	/nfs/dbraw/zinc/59/78/03/550597803.db2.gz	HCMMFWDELXXTHR-IBGZPJMESA-N	1	0	357.502	1.672	20	30		FDEDRO
CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000577366534	550648771	/nfs/dbraw/zinc/64/87/71/550648771.db2.gz	WRQOCUWUTOMAKE-CABCVRRESA-N	1	0	350.440	1.653	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1	ZINC000577723466	550687568	/nfs/dbraw/zinc/68/75/68/550687568.db2.gz	YHJMTXBQQCKISY-DZGCQCFKSA-N	1	0	354.857	1.854	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cccnc1N1CC[NH+](C)CC1	ZINC000577743891	550690379	/nfs/dbraw/zinc/69/03/79/550690379.db2.gz	RZBFCNNNBQVOJJ-RDJZCZTQSA-N	1	0	359.474	1.224	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCCO2)cc1C(F)(F)F	ZINC000577845629	550701169	/nfs/dbraw/zinc/70/11/69/550701169.db2.gz	WNHYHRJLECYWFB-NSHDSACASA-N	1	0	363.361	1.234	20	30		FDEDRO
Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC(CCC#N)CC1	ZINC000577950149	550712161	/nfs/dbraw/zinc/71/21/61/550712161.db2.gz	VEVCYQXPCGOSRK-UHFFFAOYSA-N	1	0	367.519	1.766	20	30		FDEDRO
CC[C@@H]1Oc2cc([C@@H](C)[NH2+]C[C@H](O)CN(C)CCC#N)ccc2NC1=O	ZINC000578006513	550718077	/nfs/dbraw/zinc/71/80/77/550718077.db2.gz	ICJBXDLRDXIWCU-KMFMINBZSA-N	1	0	360.458	1.653	20	30		FDEDRO
N#Cc1ccc(F)c(CS(=O)(=O)NCC2CC[NH+](C3CC3)CC2)c1	ZINC000578140985	550732356	/nfs/dbraw/zinc/73/23/56/550732356.db2.gz	VQOQVNCJHLWCLX-UHFFFAOYSA-N	1	0	351.447	1.991	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]CCc2nnnn2-c2ccccc2)cc1	ZINC000578760615	550798886	/nfs/dbraw/zinc/79/88/86/550798886.db2.gz	UFZIKVKUDCGKGH-QGZVFWFLSA-N	1	0	364.409	1.106	20	30		FDEDRO
Cc1ccnc([C@@H]2CC[N@@H+](CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)C2)c1	ZINC000578784482	550801931	/nfs/dbraw/zinc/80/19/31/550801931.db2.gz	MHMSQOCLKNNZPV-UYAOXDASSA-N	1	0	369.513	1.872	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)nc1	ZINC000578880512	550811540	/nfs/dbraw/zinc/81/15/40/550811540.db2.gz	HDLXCOOLGCQNQO-SCTDSRPQSA-N	1	0	353.447	1.902	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)o1	ZINC000578884495	550812004	/nfs/dbraw/zinc/81/20/04/550812004.db2.gz	MXCKXAJLSBMFKB-UHFFFAOYSA-N	1	0	374.466	1.423	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1	ZINC000578906752	550814522	/nfs/dbraw/zinc/81/45/22/550814522.db2.gz	SIDBCRZATVUSHM-SJLPKXTDSA-N	1	0	364.515	1.571	20	30		FDEDRO
CN(C)C(=O)C[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccccc1	ZINC000578920838	550815679	/nfs/dbraw/zinc/81/56/79/550815679.db2.gz	AECUDLBFCJSAIT-LJQANCHMSA-N	1	0	364.449	1.984	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)CC1	ZINC000579349074	550863508	/nfs/dbraw/zinc/86/35/08/550863508.db2.gz	ATIFVVAIXOENOZ-ZACQAIPSSA-N	1	0	374.510	1.568	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1	ZINC000579613202	550892663	/nfs/dbraw/zinc/89/26/63/550892663.db2.gz	HSGSIYQCLSRLSA-SJORKVTESA-N	1	0	351.491	1.594	20	30		FDEDRO
Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH2+]C(CO)CO)c1C#N	ZINC000579729422	550904400	/nfs/dbraw/zinc/90/44/00/550904400.db2.gz	URPXZIQJWXBJRE-UHFFFAOYSA-N	1	0	374.416	1.045	20	30		FDEDRO
CCN(CC)C(=O)C[NH+]1CCC(NC(=O)Cc2c(F)cccc2C#N)CC1	ZINC000580215226	550955910	/nfs/dbraw/zinc/95/59/10/550955910.db2.gz	RPCKRPNCKUVYTI-UHFFFAOYSA-N	1	0	374.460	1.689	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000580436030	550982272	/nfs/dbraw/zinc/98/22/72/550982272.db2.gz	QMNGNUULJWFDKQ-XJKSGUPXSA-N	1	0	354.428	1.939	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CCN1Cc1ccccc1	ZINC000581495795	551095939	/nfs/dbraw/zinc/09/59/39/551095939.db2.gz	PBXJFYOAEMTXLF-HZPDHXFCSA-N	1	0	363.412	1.403	20	30		FDEDRO
C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)NCc2ccc(CC#N)cc2)C1	ZINC000581547808	551102856	/nfs/dbraw/zinc/10/28/56/551102856.db2.gz	YOQOEMQVEHHCDP-IRXDYDNUSA-N	1	0	370.497	1.853	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)c1C#N	ZINC000581933851	551151861	/nfs/dbraw/zinc/15/18/61/551151861.db2.gz	XKOLNQIDQWHGMD-RBSFLKMASA-N	1	0	374.514	1.543	20	30		FDEDRO
CS(=O)(=O)C1CCC([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000581939045	551152646	/nfs/dbraw/zinc/15/26/46/551152646.db2.gz	IJBFASVEYHYTGI-UHFFFAOYSA-N	1	0	370.496	1.277	20	30		FDEDRO
CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@H]1CCc2ccc(C#N)cc21	ZINC000582211070	551191112	/nfs/dbraw/zinc/19/11/12/551191112.db2.gz	UXTJQBZKTHXRJJ-AEFFLSMTSA-N	1	0	362.499	1.796	20	30		FDEDRO
C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000582409928	551220242	/nfs/dbraw/zinc/22/02/42/551220242.db2.gz	JDODAYCTDSCAOI-LYAPFXNSSA-N	1	0	357.458	1.940	20	30		FDEDRO
Cn1cc(N2CCC[C@H]([NH2+]CCS(=O)(=O)c3ccc(C#N)cc3)C2)cn1	ZINC000583199335	551317625	/nfs/dbraw/zinc/31/76/25/551317625.db2.gz	KONKMYHGSBJTMI-INIZCTEOSA-N	1	0	373.482	1.324	20	30		FDEDRO
CC(C)(C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)N1CCCCC1	ZINC000583376486	551342189	/nfs/dbraw/zinc/34/21/89/551342189.db2.gz	QDFUGMBHFUTFMH-UHFFFAOYSA-N	1	0	350.488	1.581	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])C2=O)cc1	ZINC000583430494	551350420	/nfs/dbraw/zinc/35/04/20/551350420.db2.gz	BZFQJNPRXVDCEW-KURKYZTESA-N	1	0	369.469	1.476	20	30		FDEDRO
C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CCC([NH2+]CCOC)CC1	ZINC000583636827	551380776	/nfs/dbraw/zinc/38/07/76/551380776.db2.gz	NCIPDNSAMWXCHH-UHFFFAOYSA-N	1	0	373.497	1.818	20	30		FDEDRO
C[C@@H]1CCC[C@H](C)N1CC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000584405963	551492142	/nfs/dbraw/zinc/49/21/42/551492142.db2.gz	LDNXBZJYBNIGAO-GASCZTMLSA-N	1	0	350.488	1.579	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NCC[C@@H]3CCC[NH2+]C3)CC2)c(F)c1	ZINC000584459382	551500136	/nfs/dbraw/zinc/50/01/36/551500136.db2.gz	DJDIZHKSAXWLBC-HNNXBMFYSA-N	1	0	359.449	1.919	20	30		FDEDRO
C[C@@H]1CN(CCC[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C[C@@H](C)O1	ZINC000584582475	551521789	/nfs/dbraw/zinc/52/17/89/551521789.db2.gz	PFSDQCDCQBGMFC-ZHALLVOQSA-N	1	0	361.486	1.581	20	30		FDEDRO
C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1	ZINC000586779382	551618919	/nfs/dbraw/zinc/61/89/19/551618919.db2.gz	UDWKBONZQXUJED-QRQLOZEOSA-N	1	0	359.470	1.287	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)C1	ZINC000587664368	551633203	/nfs/dbraw/zinc/63/32/03/551633203.db2.gz	HSGFONXYIROPEK-WBVHZDCISA-N	1	0	356.470	1.830	20	30		FDEDRO
N#Cc1cccc(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)n1	ZINC000589391238	551726629	/nfs/dbraw/zinc/72/66/29/551726629.db2.gz	RLOXLMBHSRZSIK-UHFFFAOYSA-N	1	0	365.441	1.075	20	30		FDEDRO
C[N@H+]1C[C@H]2[C@@H](CCN2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000590010811	551757213	/nfs/dbraw/zinc/75/72/13/551757213.db2.gz	YQJWKWNJYAEOIN-YOEHRIQHSA-N	1	0	350.426	1.318	20	30		FDEDRO
C[NH+](C)[C@H]1CN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C[C@@H]1O	ZINC000590554233	551791712	/nfs/dbraw/zinc/79/17/12/551791712.db2.gz	RMBQJHJOCGOIGK-PMACEKPBSA-N	1	0	365.433	1.884	20	30		FDEDRO
N#Cc1cc(Br)cnc1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC000590688618	551805443	/nfs/dbraw/zinc/80/54/43/551805443.db2.gz	YFVUBJNIRCQESO-KBPBESRZSA-N	1	0	351.248	1.751	20	30		FDEDRO
COCCN1CCC[C@H](NS(=O)(=O)Cc2ccc(F)cc2C#N)C1	ZINC000590746571	551810707	/nfs/dbraw/zinc/81/07/07/551810707.db2.gz	UAVUPMYHSZRYAT-INIZCTEOSA-N	1	0	355.435	1.228	20	30		FDEDRO
COCCN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C	ZINC000590783822	551816218	/nfs/dbraw/zinc/81/62/18/551816218.db2.gz	PLKDODBXMGBEGT-QGZVFWFLSA-N	1	0	358.442	1.563	20	30		FDEDRO
C[NH+]1CCC(n2ccc(=NC(=O)NCc3ccc(C#N)c(F)c3)[nH]2)CC1	ZINC000590832220	551820744	/nfs/dbraw/zinc/82/07/44/551820744.db2.gz	CBGFNSQUCCOHQC-UHFFFAOYSA-N	1	0	356.405	2.482	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)ccc1OC(F)(F)F	ZINC000591292327	551857085	/nfs/dbraw/zinc/85/70/85/551857085.db2.gz	KOMRJIPSLZKRDU-GFCCVEGCSA-N	1	0	370.331	1.654	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H]1CN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CCO1	ZINC000591356937	551865686	/nfs/dbraw/zinc/86/56/86/551865686.db2.gz	BJYYWOOLYPDJCA-MFNRNEDNSA-N	1	0	373.457	1.401	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NC2CCC([NH3+])CC2)CC1	ZINC000591359932	551865982	/nfs/dbraw/zinc/86/59/82/551865982.db2.gz	XXPDAOLWQXHMBG-UHFFFAOYSA-N	1	0	358.446	1.525	20	30		FDEDRO
Cc1ccc(-n2nc(CCCNC(=O)NC/C=C\C[NH3+])c(C#N)c2N)cc1	ZINC000591360879	551866111	/nfs/dbraw/zinc/86/61/11/551866111.db2.gz	DGQWQIHSEHCBPQ-IHWYPQMZSA-N	1	0	367.457	1.381	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1	ZINC000591728252	551903792	/nfs/dbraw/zinc/90/37/92/551903792.db2.gz	DCCFNWVFHFKWAP-YJBOKZPZSA-N	1	0	350.894	1.962	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]CCCc2nnc3ccccn32)c1	ZINC000591728863	551904358	/nfs/dbraw/zinc/90/43/58/551904358.db2.gz	DEXWVXHKPBGQFJ-UHFFFAOYSA-N	1	0	369.450	1.597	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]CCn2c(=O)[nH]c3ccccc32)cc1	ZINC000591749876	551905914	/nfs/dbraw/zinc/90/59/14/551905914.db2.gz	LZZZYMCBTNVYQJ-HNNXBMFYSA-N	1	0	352.394	1.643	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)cc1	ZINC000591756534	551906196	/nfs/dbraw/zinc/90/61/96/551906196.db2.gz	AXRVAUBKDYECRO-RDJZCZTQSA-N	1	0	366.508	1.976	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)cc1	ZINC000591754189	551906347	/nfs/dbraw/zinc/90/63/47/551906347.db2.gz	HFOGFPNPZGIDBO-OALUTQOASA-N	1	0	371.481	1.873	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(N)=O)CC1	ZINC000592069401	551935610	/nfs/dbraw/zinc/93/56/10/551935610.db2.gz	DJUWCXMJOOZKDQ-GOSISDBHSA-N	1	0	369.469	1.514	20	30		FDEDRO
N#CC[C@@]1(O)CC[N@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1	ZINC000592148269	551949622	/nfs/dbraw/zinc/94/96/22/551949622.db2.gz	XDYFYALOYIETQT-LJQANCHMSA-N	1	0	360.433	1.215	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2)C1	ZINC000592156277	551951573	/nfs/dbraw/zinc/95/15/73/551951573.db2.gz	WLOHJTRLBMXJGY-GOSISDBHSA-N	1	0	367.453	1.281	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCc3c2cnn3CCO)cc1	ZINC000592429310	551994177	/nfs/dbraw/zinc/99/41/77/551994177.db2.gz	GNIDJYOVIGGLSO-VQIMIIECSA-N	1	0	370.453	1.348	20	30		FDEDRO
COCCn1cc2c(n1)[C@@H]([NH2+]C[C@@H]1CNc3c(C#N)cnn3C1)CCC2	ZINC000592506298	552003339	/nfs/dbraw/zinc/00/33/39/552003339.db2.gz	NHYCLAIIKQPGEI-CJNGLKHVSA-N	1	0	355.446	1.307	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(N3C(=O)[C@@H]4[C@@H](O)CCCN4C3=O)CC2)c1	ZINC000593232897	552075023	/nfs/dbraw/zinc/07/50/23/552075023.db2.gz	RXFWMHFNCJYQHD-ROUUACIJSA-N	1	0	368.437	1.310	20	30		FDEDRO
Cc1noc(CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1	ZINC000593338709	552091976	/nfs/dbraw/zinc/09/19/76/552091976.db2.gz	CUNYKWRRRMUZDC-UHFFFAOYSA-N	1	0	354.414	1.714	20	30		FDEDRO
Cn1ccnc1CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593343370	552092568	/nfs/dbraw/zinc/09/25/68/552092568.db2.gz	GWWYZYLWQWPRCS-UHFFFAOYSA-N	1	0	352.442	1.756	20	30		FDEDRO
CC(=O)N[C@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C(C)C	ZINC000593354215	552094738	/nfs/dbraw/zinc/09/47/38/552094738.db2.gz	YEYCIDVHERXABI-IBGZPJMESA-N	1	0	356.470	1.800	20	30		FDEDRO
CCN1CC[C@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1=O	ZINC000593402436	552103228	/nfs/dbraw/zinc/10/32/28/552103228.db2.gz	LXPOMGIIYNFDKM-SFHVURJKSA-N	1	0	369.469	1.443	20	30		FDEDRO
CC(C)C[N@H+](C)CCCNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000593421723	552106038	/nfs/dbraw/zinc/10/60/38/552106038.db2.gz	BYDOZZLNCIIZQF-INIZCTEOSA-N	1	0	373.505	1.546	20	30		FDEDRO
CNC(=O)CCCN(C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593511890	552119902	/nfs/dbraw/zinc/11/99/02/552119902.db2.gz	FKUVZAYJWUFNTN-UHFFFAOYSA-N	1	0	371.485	1.690	20	30		FDEDRO
CC1(C)[C@@H](O)C[C@@H]1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593514217	552120825	/nfs/dbraw/zinc/12/08/25/552120825.db2.gz	TZRZLVJQIMWFMA-ROUUACIJSA-N	1	0	356.470	1.981	20	30		FDEDRO
N#Cc1sccc1S(=O)(=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000593544312	552128753	/nfs/dbraw/zinc/12/87/53/552128753.db2.gz	QNDORSMSLIOLKN-UHFFFAOYSA-N	1	0	355.485	1.543	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H](C)CN1CCO	ZINC000593609229	552151136	/nfs/dbraw/zinc/15/11/36/552151136.db2.gz	SGRIUUISYORHPB-GJZGRUSLSA-N	1	0	365.499	1.563	20	30		FDEDRO
CC[N@H+](CCO)CCNC(=O)Cc1ccc(Br)cc1C#N	ZINC000593612272	552151921	/nfs/dbraw/zinc/15/19/21/552151921.db2.gz	HXBSZOPZQPNLJU-UHFFFAOYSA-N	1	0	354.248	1.294	20	30		FDEDRO
COCC1(CNS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)CC[NH2+]CC1	ZINC000593732487	552186038	/nfs/dbraw/zinc/18/60/38/552186038.db2.gz	NNRUMYBMBPMOQW-UHFFFAOYSA-N	1	0	365.499	1.782	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1	ZINC000593733302	552186252	/nfs/dbraw/zinc/18/62/52/552186252.db2.gz	DWFQGKLSFVROAU-GVDBMIGSSA-N	1	0	363.483	1.774	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1	ZINC000593766914	552194218	/nfs/dbraw/zinc/19/42/18/552194218.db2.gz	MOXRWPNNHRQBGY-LIRRHRJNSA-N	1	0	357.458	1.641	20	30		FDEDRO
N#Cc1ncn(CC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)n1	ZINC000593837354	552205788	/nfs/dbraw/zinc/20/57/88/552205788.db2.gz	IFUSSNUDGIAFNV-UHFFFAOYSA-N	1	0	356.455	1.976	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2c(n1)OCCO2	ZINC000593973138	552234085	/nfs/dbraw/zinc/23/40/85/552234085.db2.gz	LNMOIRDXDNDWDJ-UHFFFAOYSA-N	1	0	366.421	1.928	20	30		FDEDRO
C[C@@H]1COCCN1C1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000593990268	552235529	/nfs/dbraw/zinc/23/55/29/552235529.db2.gz	AADGXDDLWODPEA-XLIONFOSSA-N	1	0	373.497	1.677	20	30		FDEDRO
COC(=O)[C@]12C[N@H+](CC(=O)NCc3cccc(C#N)c3)C[C@H]1CCCC2	ZINC000594015844	552238172	/nfs/dbraw/zinc/23/81/72/552238172.db2.gz	PBUHJCGQEIEKPH-YLJYHZDGSA-N	1	0	355.438	1.840	20	30		FDEDRO
Cn1cnnc1N1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000594022535	552239745	/nfs/dbraw/zinc/23/97/45/552239745.db2.gz	HRTUPSHHLRZQNO-UHFFFAOYSA-N	1	0	373.848	1.491	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1Cc2ccc(C#N)cc2C1	ZINC000594218908	552265707	/nfs/dbraw/zinc/26/57/07/552265707.db2.gz	GONLPSYZDINWBU-SFHVURJKSA-N	1	0	369.469	1.526	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)n(CCC#N)n1	ZINC000594325410	552288471	/nfs/dbraw/zinc/28/84/71/552288471.db2.gz	FFDUXJHDODJFOM-CABCVRRESA-N	1	0	358.446	1.177	20	30		FDEDRO
N#Cc1cccc(OCc2ccoc2C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1	ZINC000594391777	552301845	/nfs/dbraw/zinc/30/18/45/552301845.db2.gz	DZVPBGYMMZNHOM-DLBZAZTESA-N	1	0	367.405	1.621	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N[C@H](C(N)=O)c1cccc(Br)c1	ZINC000594431089	552308518	/nfs/dbraw/zinc/30/85/18/552308518.db2.gz	HGQFVJLOORBBAY-OLZOCXBDSA-N	1	0	367.247	1.503	20	30		FDEDRO
C[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccccc1NS(C)(=O)=O	ZINC000594429317	552308743	/nfs/dbraw/zinc/30/87/43/552308743.db2.gz	SRFBOPFOYBJTQC-TZMCWYRMSA-N	1	0	352.460	1.647	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1	ZINC000594432027	552309181	/nfs/dbraw/zinc/30/91/81/552309181.db2.gz	VHASYVOQBFPJTA-SJORKVTESA-N	1	0	358.442	1.832	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)NCC(=O)Nc1ccc(-n2cccn2)cc1	ZINC000594435236	552309381	/nfs/dbraw/zinc/30/93/81/552309381.db2.gz	CFCXBGRXDJBVPH-MRXNPFEDSA-N	1	0	354.414	1.338	20	30		FDEDRO
C[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000594438438	552309615	/nfs/dbraw/zinc/30/96/15/552309615.db2.gz	NWDMPAAOHHGAOT-CZUORRHYSA-N	1	0	366.487	1.525	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1	ZINC000594437367	552309643	/nfs/dbraw/zinc/30/96/43/552309643.db2.gz	VUPZSJIILUXFIN-OAHLLOKOSA-N	1	0	354.458	1.618	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)NCc1cccc(C(=O)Nc2ccncc2)c1	ZINC000594436261	552309700	/nfs/dbraw/zinc/30/97/00/552309700.db2.gz	CJIQIORKGFCVAQ-GOSISDBHSA-N	1	0	365.437	1.783	20	30		FDEDRO
Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)C2)n1	ZINC000594440435	552311061	/nfs/dbraw/zinc/31/10/61/552311061.db2.gz	CHCIKMVIRNBXFH-HOTGVXAUSA-N	1	0	357.458	1.978	20	30		FDEDRO
CC(C)C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1nc(-c2nc[nH]n2)no1	ZINC000594446211	552312216	/nfs/dbraw/zinc/31/22/16/552312216.db2.gz	OHMGTDKJYMNMLB-RYUDHWBXSA-N	1	0	360.422	1.469	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1	ZINC000594445768	552312369	/nfs/dbraw/zinc/31/23/69/552312369.db2.gz	LQEPVRAVLIMSTE-BDXSIMOUSA-N	1	0	354.454	1.671	20	30		FDEDRO
N#Cc1ccc2c(c1)CN(C(=O)C(=O)Nc1ccc3c(c1F)CC[NH2+]C3)C2	ZINC000594531782	552329401	/nfs/dbraw/zinc/32/94/01/552329401.db2.gz	FONJAASPXSRVJA-UHFFFAOYSA-N	1	0	364.380	1.824	20	30		FDEDRO
N#Cc1c(-n2cccn2)cccc1N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1	ZINC000594582895	552337561	/nfs/dbraw/zinc/33/75/61/552337561.db2.gz	NCYSYHLHBFPUHJ-MRXNPFEDSA-N	1	0	364.453	1.535	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)sc2C(=O)OC)CC1	ZINC000594980839	552431258	/nfs/dbraw/zinc/43/12/58/552431258.db2.gz	UEDGRHMWYGDSSF-UHFFFAOYSA-N	1	0	365.455	1.548	20	30		FDEDRO
Cc1cn2ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc2n1	ZINC000595004447	552436215	/nfs/dbraw/zinc/43/62/15/552436215.db2.gz	SBNHTMMAUSMKCV-UHFFFAOYSA-N	1	0	356.430	1.275	20	30		FDEDRO
CCOc1ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)nc1C	ZINC000595004197	552436394	/nfs/dbraw/zinc/43/63/94/552436394.db2.gz	PBNIVVGZZKICAU-UHFFFAOYSA-N	1	0	361.446	1.421	20	30		FDEDRO
CCN(C(=O)C(=O)Nc1cc(C#N)ccc1OCCOC)[C@@H]1CC[N@H+](C)C1	ZINC000595104731	552451344	/nfs/dbraw/zinc/45/13/44/552451344.db2.gz	SPIUVDZWAOZYPP-OAHLLOKOSA-N	1	0	374.441	1.075	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC3CC2(C[NH3+])C3)cc1Br	ZINC000595117513	552456245	/nfs/dbraw/zinc/45/62/45/552456245.db2.gz	FIYBLEQMCLTATE-UHFFFAOYSA-N	1	0	356.245	1.433	20	30		FDEDRO
CN(CCC[NH+](C)C)CCNC(=O)C(=O)Nc1ccc(C#N)cc1Cl	ZINC000595126044	552459417	/nfs/dbraw/zinc/45/94/17/552459417.db2.gz	SNLWZEQJEZXAGX-UHFFFAOYSA-N	1	0	365.865	1.150	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[C@](C)(C#N)C1	ZINC000595132852	552462493	/nfs/dbraw/zinc/46/24/93/552462493.db2.gz	UVYZWFPJUGJDEW-LJQANCHMSA-N	1	0	360.433	1.478	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)CC1C[NH+](C)C1	ZINC000595151744	552468784	/nfs/dbraw/zinc/46/87/84/552468784.db2.gz	HWEVUIJHXFYYDL-CYBMUJFWSA-N	1	0	360.483	1.897	20	30		FDEDRO
C[C@@]1(C#N)CCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1	ZINC000595168771	552475504	/nfs/dbraw/zinc/47/55/04/552475504.db2.gz	DMHQIWKDWRNSPS-UEXGIBASSA-N	1	0	366.465	1.339	20	30		FDEDRO
CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CC[C@](C)(C#N)C2)CC1	ZINC000595206604	552490436	/nfs/dbraw/zinc/49/04/36/552490436.db2.gz	BKIZEOIIBZDNAV-GOSISDBHSA-N	1	0	358.446	1.241	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1	ZINC000595230378	552498929	/nfs/dbraw/zinc/49/89/29/552498929.db2.gz	YMDHJZQPYRXROT-RDBSUJKOSA-N	1	0	373.482	1.714	20	30		FDEDRO
COC(=O)CC[C@H](C(=O)OC)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000595292232	552514284	/nfs/dbraw/zinc/51/42/84/552514284.db2.gz	WRKCWLCAUOGMMU-GOSISDBHSA-N	1	0	373.453	1.561	20	30		FDEDRO
CC(C)C[NH2+]C1(CO)CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000595512071	552576218	/nfs/dbraw/zinc/57/62/18/552576218.db2.gz	MCIBTADJTZZGQM-IBGZPJMESA-N	1	0	370.497	1.736	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)cc1	ZINC000595527175	552579105	/nfs/dbraw/zinc/57/91/05/552579105.db2.gz	PNQQAFRGSPFHMM-JRBPQWBISA-N	1	0	360.454	1.354	20	30		FDEDRO
N#CC[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1	ZINC000595618234	552593476	/nfs/dbraw/zinc/59/34/76/552593476.db2.gz	ZNSVCWXRGFBLDF-CYBMUJFWSA-N	1	0	350.444	1.288	20	30		FDEDRO
COC[C@H](CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)OC	ZINC000595683721	552602521	/nfs/dbraw/zinc/60/25/21/552602521.db2.gz	JLRKXQWFRVTWQL-IBGZPJMESA-N	1	0	374.485	1.827	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)C1	ZINC000595704261	552604424	/nfs/dbraw/zinc/60/44/24/552604424.db2.gz	RIJOAGDGSDUWRS-MRXNPFEDSA-N	1	0	356.474	1.658	20	30		FDEDRO
COC(=O)CN(C)C(=O)CC[NH2+]C1(c2cccc(C#N)c2)CCOCC1	ZINC000595765684	552613009	/nfs/dbraw/zinc/61/30/09/552613009.db2.gz	UIDIHZLHWXWTFI-UHFFFAOYSA-N	1	0	359.426	1.175	20	30		FDEDRO
Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]CC(=O)NCc2ccc(C#N)cc2)cn1	ZINC000595768075	552613282	/nfs/dbraw/zinc/61/32/82/552613282.db2.gz	DXOMSGFUDOINER-OALUTQOASA-N	1	0	351.454	1.909	20	30		FDEDRO
CN(C)C(=O)N(C)[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000595823159	552619861	/nfs/dbraw/zinc/61/98/61/552619861.db2.gz	HELSYZLTCRRUKP-IAGOWNOFSA-N	1	0	360.458	1.180	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@H](CN4CCCC4=O)C3)C2=O)cc1	ZINC000595828880	552621160	/nfs/dbraw/zinc/62/11/60/552621160.db2.gz	MFZNGMGHPMWMQP-FUHWJXTLSA-N	1	0	352.438	1.608	20	30		FDEDRO
CC(C)NC(=O)[C@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000595851308	552623504	/nfs/dbraw/zinc/62/35/04/552623504.db2.gz	QMIAQZGVBPLOQB-WMZOPIPTSA-N	1	0	354.454	1.900	20	30		FDEDRO
CCOC(=O)CC1([NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)CCOCC1	ZINC000595873523	552626919	/nfs/dbraw/zinc/62/69/19/552626919.db2.gz	CABBQAOYFVXXNT-UHFFFAOYSA-N	1	0	363.414	1.799	20	30		FDEDRO
C=CC[C@]1(C(=O)Nc2ccc(C(=O)NCCC(=O)OC)cc2)CCC[NH2+]1	ZINC000595925141	552634109	/nfs/dbraw/zinc/63/41/09/552634109.db2.gz	SLNJBQJQYYIRPH-LJQANCHMSA-N	1	0	359.426	1.616	20	30		FDEDRO
C[NH2+]CCCC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595971531	552640168	/nfs/dbraw/zinc/64/01/68/552640168.db2.gz	RACNLJMIEMEABF-UHFFFAOYSA-N	1	0	352.442	1.597	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1	ZINC000596067342	552651836	/nfs/dbraw/zinc/65/18/36/552651836.db2.gz	ZIWSZJKEYNRGFA-RTBURBONSA-N	1	0	359.470	1.335	20	30		FDEDRO
Cn1ncc(C#N)c1N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000596097153	552654956	/nfs/dbraw/zinc/65/49/56/552654956.db2.gz	FODINQHNEUEZCG-KRWDZBQOSA-N	1	0	365.485	1.725	20	30		FDEDRO
C[C@@H](CNC(=O)NC(C)(C)c1cccc(C#N)c1)C[NH+]1CCN(C)CC1	ZINC000596405877	552676955	/nfs/dbraw/zinc/67/69/55/552676955.db2.gz	ZODOVVSRIWCNHR-INIZCTEOSA-N	1	0	357.502	1.976	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)n(CCC#N)n1	ZINC000596569200	552689940	/nfs/dbraw/zinc/68/99/40/552689940.db2.gz	HDIGXOCUTRGNJC-INIZCTEOSA-N	1	0	372.473	1.282	20	30		FDEDRO
N#Cc1ccc(CCNC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)cc1	ZINC000596669045	552699174	/nfs/dbraw/zinc/69/91/74/552699174.db2.gz	FTGNBYOZDUNGQT-IBGZPJMESA-N	1	0	356.470	1.997	20	30		FDEDRO
C=CCCSCCNC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1	ZINC000596721277	552704666	/nfs/dbraw/zinc/70/46/66/552704666.db2.gz	GBHNZJKQEVVWMW-UHFFFAOYSA-N	1	0	356.536	1.491	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1nnn(C(C)(C)C)n1	ZINC000596828528	552715119	/nfs/dbraw/zinc/71/51/19/552715119.db2.gz	LPZVUSLIKLQICJ-UHFFFAOYSA-N	1	0	369.473	1.433	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CN1CC[C@@H](c2ccccc2)NC1=O	ZINC000596925574	552724765	/nfs/dbraw/zinc/72/47/65/552724765.db2.gz	GIGGRNJNVBTXCX-SFHVURJKSA-N	1	0	371.485	1.837	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)NCC1(C#N)CCCCC1)Cc1ccccc1	ZINC000597167680	552756892	/nfs/dbraw/zinc/75/68/92/552756892.db2.gz	LKXCPIZBUYYOTG-GOSISDBHSA-N	1	0	370.497	1.866	20	30		FDEDRO
N#CCCn1cc(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c(-c2ccncc2)n1	ZINC000597174083	552757629	/nfs/dbraw/zinc/75/76/29/552757629.db2.gz	JIJAQRKZQCUYFC-MRXNPFEDSA-N	1	0	362.441	1.972	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)c1ccc(C#N)cc1	ZINC000597183668	552758753	/nfs/dbraw/zinc/75/87/53/552758753.db2.gz	CJKOYBMLOVHXAY-YJBOKZPZSA-N	1	0	372.469	1.305	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)c(F)c1	ZINC000597242282	552764607	/nfs/dbraw/zinc/76/46/07/552764607.db2.gz	JYARNDACSRSGLN-INIZCTEOSA-N	1	0	372.444	1.837	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCC2(C#N)CCCCC2)CCO1	ZINC000597399887	552784405	/nfs/dbraw/zinc/78/44/05/552784405.db2.gz	RERBIAAZNADUHE-MRXNPFEDSA-N	1	0	364.490	1.146	20	30		FDEDRO
C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC(=O)N(c3ccc(C#N)c(Cl)c3)C1)C2	ZINC000597569252	552805940	/nfs/dbraw/zinc/80/59/40/552805940.db2.gz	STYOCFAYJNFUQP-CQSZACIVSA-N	1	0	372.856	1.729	20	30		FDEDRO
N#Cc1cccc(-c2cc(C(=O)NC[C@@H]3C[N@@H+]4CCN3CCC4)on2)c1	ZINC000597624364	552813616	/nfs/dbraw/zinc/81/36/16/552813616.db2.gz	HVOOSTGZZPPTLR-MRXNPFEDSA-N	1	0	351.410	1.333	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCC[C@H](N3CCOCC3)C2)cc1	ZINC000597708608	552824704	/nfs/dbraw/zinc/82/47/04/552824704.db2.gz	CSOWBFIFNQKXCO-VQTJNVASSA-N	1	0	368.481	1.850	20	30		FDEDRO
CC(C)(C)n1nnc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1	ZINC000597823249	552836735	/nfs/dbraw/zinc/83/67/35/552836735.db2.gz	YVUWPNFBNXOTPI-UHFFFAOYSA-N	1	0	367.457	1.694	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCc2ccc(C#N)cc2)CC1=O	ZINC000597892587	552844514	/nfs/dbraw/zinc/84/45/14/552844514.db2.gz	WZFBROMECLWIEJ-RTBURBONSA-N	1	0	368.481	1.550	20	30		FDEDRO
CC(C)[N@H+](C)CC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000598155781	552869849	/nfs/dbraw/zinc/86/98/49/552869849.db2.gz	FELGKRUIJMSKHM-UHFFFAOYSA-N	1	0	366.469	1.937	20	30		FDEDRO
Cn1c(C#N)ccc1C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1	ZINC000598501383	552903078	/nfs/dbraw/zinc/90/30/78/552903078.db2.gz	HRABUSKTCOYGIP-SFHVURJKSA-N	1	0	351.454	1.443	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[NH+]1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1	ZINC000598594879	552912952	/nfs/dbraw/zinc/91/29/52/552912952.db2.gz	NGDUVGSGSNDYHC-OAHLLOKOSA-N	1	0	369.469	1.754	20	30		FDEDRO
Cc1nc(CN2C[C@@H](F)C[C@H]2C[N@H+](C)C[C@H](O)CC(C)(C)C#N)no1	ZINC000598609069	552915205	/nfs/dbraw/zinc/91/52/05/552915205.db2.gz	VDCLTXWNKKLVHJ-SOUVJXGZSA-N	1	0	353.442	1.523	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCc2c(CC#N)cccc2C1	ZINC000598991849	552955025	/nfs/dbraw/zinc/95/50/25/552955025.db2.gz	PHTAWWXFACGJLX-SFHVURJKSA-N	1	0	356.470	1.931	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1	ZINC000599099366	552967643	/nfs/dbraw/zinc/96/76/43/552967643.db2.gz	BXJNRVHDBKCGJZ-WCBMZHEXSA-N	1	0	353.391	1.768	20	30		FDEDRO
C[NH2+]CCOCCNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000599108186	552968919	/nfs/dbraw/zinc/96/89/19/552968919.db2.gz	RVENRCJLDQDMCI-UHFFFAOYSA-N	1	0	351.350	1.091	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)NC[C@H]3CCCC[N@H+](C)C3)CC2)c1C#N	ZINC000599156690	552976070	/nfs/dbraw/zinc/97/60/70/552976070.db2.gz	IKFZGGBOSDPZPT-MRXNPFEDSA-N	1	0	373.505	1.164	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H](CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1	ZINC000599157156	552976093	/nfs/dbraw/zinc/97/60/93/552976093.db2.gz	QBBCEJIDNFCOCW-INIZCTEOSA-N	1	0	356.474	1.517	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H](CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1	ZINC000599161156	552977060	/nfs/dbraw/zinc/97/70/60/552977060.db2.gz	ULQSOUSGYBURHQ-KRWDZBQOSA-N	1	0	356.474	1.517	20	30		FDEDRO
C=CCn1c(-c2cn[nH]c2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1	ZINC000599214709	552988569	/nfs/dbraw/zinc/98/85/69/552988569.db2.gz	BJIRJVCNFXWAIH-INIZCTEOSA-N	1	0	356.478	1.070	20	30		FDEDRO
CCCC(=O)NC[C@H]1CCC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000599278274	553013037	/nfs/dbraw/zinc/01/30/37/553013037.db2.gz	BJHSSEXBBLTTSS-SJORKVTESA-N	1	0	351.491	1.686	20	30		FDEDRO
C[C@H](CS(C)(=O)=O)N(C[C@H](O)COc1ccccc1C#N)C1CC1	ZINC000599292869	553017749	/nfs/dbraw/zinc/01/77/49/553017749.db2.gz	JCZNTQMQAGLDRD-CJNGLKHVSA-N	1	0	352.456	1.195	20	30		FDEDRO
C[N@@H+](Cc1ccc([S@](C)=O)cc1)C[C@H](O)CC1(C#N)CCOCC1	ZINC000599307054	553021639	/nfs/dbraw/zinc/02/16/39/553021639.db2.gz	LMFBOYZTBBLENE-GYCJOSAFSA-N	1	0	350.484	1.927	20	30		FDEDRO
Cn1cc(C[N@H+](C)C[C@@H](O)CC2(C#N)CCOCC2)c(C(F)(F)F)n1	ZINC000599340495	553031833	/nfs/dbraw/zinc/03/18/33/553031833.db2.gz	NVQFZIRBZUVPSP-ZDUSSCGKSA-N	1	0	360.380	1.942	20	30		FDEDRO
COC(=O)C(C)(C)[C@H]1CCC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000599345488	553032754	/nfs/dbraw/zinc/03/27/54/553032754.db2.gz	RNXVFDZEBMPADB-JKSUJKDBSA-N	1	0	352.475	1.969	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)CCOCC1	ZINC000599396082	553044843	/nfs/dbraw/zinc/04/48/43/553044843.db2.gz	PHGQZMCGBYWUFT-ZWKOTPCHSA-N	1	0	351.491	1.244	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@]1(CO)CCOc2ccccc21	ZINC000599398084	553045771	/nfs/dbraw/zinc/04/57/71/553045771.db2.gz	SPOFGBKFLMNCPY-OXJNMPFZSA-N	1	0	354.406	1.558	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+](C)CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1=O	ZINC000599398461	553045845	/nfs/dbraw/zinc/04/58/45/553045845.db2.gz	ZCNZRLWGSMBRKN-NGEICVOHSA-N	1	0	366.502	1.968	20	30		FDEDRO
CC(C)C[NH2+]C1(CO)CCN(C[C@H](O)CC2(C#N)CCOCC2)CC1	ZINC000599434341	553056166	/nfs/dbraw/zinc/05/61/66/553056166.db2.gz	ZENYJKMGZCRGEV-QGZVFWFLSA-N	1	0	353.507	1.130	20	30		FDEDRO
COC(=O)[C@@]1(C)CCC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000599438333	553056652	/nfs/dbraw/zinc/05/66/52/553056652.db2.gz	XGARDESVRPFJAL-FQEVSTJZSA-N	1	0	354.406	1.561	20	30		FDEDRO
COC(=O)[C@]12C[N@H+](C[C@H](O)COc3ccccc3C#N)C[C@H]1CCCC2	ZINC000599453780	553061112	/nfs/dbraw/zinc/06/11/12/553061112.db2.gz	ARTWBMHJTIVIFV-FUHIMQAGSA-N	1	0	358.438	1.963	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)CCOCC1	ZINC000599455759	553061597	/nfs/dbraw/zinc/06/15/97/553061597.db2.gz	WFUVDXWTMRYWLX-RTBURBONSA-N	1	0	371.481	1.696	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)NCC3([NH3+])CCOCC3)n2)c(Cl)c1	ZINC000599602893	553100681	/nfs/dbraw/zinc/10/06/81/553100681.db2.gz	AKVTXLYYHZMUTO-UHFFFAOYSA-N	1	0	374.832	2.027	20	30		FDEDRO
N#CCCN(CCN1CCOCC1)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2	ZINC000599624991	553106863	/nfs/dbraw/zinc/10/68/63/553106863.db2.gz	MLOSEBVXXICPOE-UHFFFAOYSA-N	1	0	373.457	1.248	20	30		FDEDRO
COC(=O)[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2C#N)[C@H]2CCC[C@@H]21	ZINC000599644797	553111695	/nfs/dbraw/zinc/11/16/95/553111695.db2.gz	CBVIGMGYNBTRDF-MLHJIOFPSA-N	1	0	358.438	1.962	20	30		FDEDRO
CNc1cnc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cn1	ZINC000599753405	553138353	/nfs/dbraw/zinc/13/83/53/553138353.db2.gz	YIFRKIKGNKGMNF-UHFFFAOYSA-N	1	0	350.426	1.806	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)c1	ZINC000599891490	553169120	/nfs/dbraw/zinc/16/91/20/553169120.db2.gz	MRWWCOSPXUUEFH-INIZCTEOSA-N	1	0	356.426	1.708	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1	ZINC000599903411	553171622	/nfs/dbraw/zinc/17/16/22/553171622.db2.gz	DDXCITPAIMAYPO-QGZVFWFLSA-N	1	0	370.453	1.422	20	30		FDEDRO
CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(OC)c(C#N)cc1F	ZINC000599939087	553178932	/nfs/dbraw/zinc/17/89/32/553178932.db2.gz	GVHVMKROBLUUEN-LLVKDONJSA-N	1	0	350.394	1.491	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1	ZINC000599943091	553180795	/nfs/dbraw/zinc/18/07/95/553180795.db2.gz	AWRNAOKRFFXTIT-KBPBESRZSA-N	1	0	368.359	1.160	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(F)cc1C#N	ZINC000599955909	553184708	/nfs/dbraw/zinc/18/47/08/553184708.db2.gz	LQNORESTQKSOPL-ZYHUDNBSSA-N	1	0	360.389	1.386	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]Cc2cccc(CN3CCOCC3)c2)CCOCC1	ZINC000600717173	553306348	/nfs/dbraw/zinc/30/63/48/553306348.db2.gz	ONMXPZCVKXYZIT-FQEVSTJZSA-N	1	0	373.497	1.680	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]CC(=O)N2CCCc3ccccc32)CCOCC1	ZINC000600719369	553306767	/nfs/dbraw/zinc/30/67/67/553306767.db2.gz	DMDSFGCWDWDFER-QGZVFWFLSA-N	1	0	357.454	1.627	20	30		FDEDRO
N#CC1(C[C@@H](O)CNc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)CCOCC1	ZINC000600736491	553309192	/nfs/dbraw/zinc/30/91/92/553309192.db2.gz	ARFVPCMEWKJKNW-RBUKOAKNSA-N	1	0	359.470	1.736	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)CCOCC1	ZINC000600739776	553309575	/nfs/dbraw/zinc/30/95/75/553309575.db2.gz	FKHYYHGRVXGZOG-DLBZAZTESA-N	1	0	364.490	1.328	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]C[C@H](O)COc2ccc(F)cc2)CCOCC1	ZINC000600745505	553310262	/nfs/dbraw/zinc/31/02/62/553310262.db2.gz	RJPBVATXWHCLGW-CVEARBPZSA-N	1	0	352.406	1.226	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1	ZINC000600795913	553315291	/nfs/dbraw/zinc/31/52/91/553315291.db2.gz	CCYRUHFMMBZNNX-OYRHEFFESA-N	1	0	366.465	1.531	20	30		FDEDRO
CNS(=O)(=O)CCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000601151426	553353531	/nfs/dbraw/zinc/35/35/31/553353531.db2.gz	ZZXRTPWVCDLGCB-UHFFFAOYSA-N	1	0	350.488	1.052	20	30		FDEDRO
C[NH+](C)CCCS(=O)(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000601383157	553390300	/nfs/dbraw/zinc/39/03/00/553390300.db2.gz	DPQGCZHYCUKYPC-UHFFFAOYSA-N	1	0	366.487	1.514	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2ccccc2CC#N)C[C@H]1[NH+]1CCCC1	ZINC000601397705	553393929	/nfs/dbraw/zinc/39/39/29/553393929.db2.gz	RGRBIICIDRMGHZ-CVEARBPZSA-N	1	0	365.524	1.953	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccccc2CC#N)CCCO1	ZINC000601404657	553396117	/nfs/dbraw/zinc/39/61/17/553396117.db2.gz	ZITZUCZMDNEZKR-OAHLLOKOSA-N	1	0	351.472	1.532	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C[C@H]1C[NH3+]	ZINC000601575004	553438418	/nfs/dbraw/zinc/43/84/18/553438418.db2.gz	FLQFWNCOBXXVAA-MWLCHTKSSA-N	1	0	365.231	1.312	20	30		FDEDRO
N#Cc1cnc2ncn(C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)n2c1=O	ZINC000601923943	553494007	/nfs/dbraw/zinc/49/40/07/553494007.db2.gz	UPXANCLCHWKKBO-QGZVFWFLSA-N	1	0	364.409	1.054	20	30		FDEDRO
CCc1nn(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(=O)c(C#N)c1CC	ZINC000601955893	553496011	/nfs/dbraw/zinc/49/60/11/553496011.db2.gz	PXEQERDKUBXLCQ-OAQYLSRUSA-N	1	0	366.465	1.877	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H](n1cncn1)C(F)(F)F	ZINC000601968039	553496939	/nfs/dbraw/zinc/49/69/39/553496939.db2.gz	LCEMMWGHWLUJGW-TZMCWYRMSA-N	1	0	355.320	1.283	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCn2ccc(C(F)(F)F)n2)cc1	ZINC000601970501	553497426	/nfs/dbraw/zinc/49/74/26/553497426.db2.gz	KHHSAFSTSAHJNX-UHFFFAOYSA-N	1	0	372.372	1.837	20	30		FDEDRO
CN(C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCC[C@H]1C#N	ZINC000602078326	553514959	/nfs/dbraw/zinc/51/49/59/553514959.db2.gz	WBJKMZUKRFBECJ-YOEHRIQHSA-N	1	0	358.442	1.716	20	30		FDEDRO
C[N@H+](CCc1ccccc1)CC(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000602078524	553515026	/nfs/dbraw/zinc/51/50/26/553515026.db2.gz	KTOWKHCUZYJGSK-UHFFFAOYSA-N	1	0	363.465	1.776	20	30		FDEDRO
CN1CCCC[C@@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1=O	ZINC000602140339	553526627	/nfs/dbraw/zinc/52/66/27/553526627.db2.gz	HRHGLEAYMICILC-SFHVURJKSA-N	1	0	368.481	1.919	20	30		FDEDRO
C[N@H+](CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)CC(C)(C)C	ZINC000602145952	553527887	/nfs/dbraw/zinc/52/78/87/553527887.db2.gz	GTEUPMZDNUYGSM-KRWDZBQOSA-N	1	0	356.470	1.753	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@H](O)[C@H]3CCCO3)CC2)c1	ZINC000602331725	553564885	/nfs/dbraw/zinc/56/48/85/553564885.db2.gz	HWLNOXAIGUOJEN-RBUKOAKNSA-N	1	0	372.469	1.362	20	30		FDEDRO
CNS(=O)(=O)c1ccccc1N1CC[NH+](C[C@@H](C)CCC#N)CC1	ZINC000602457406	553585706	/nfs/dbraw/zinc/58/57/06/553585706.db2.gz	BIIIXEZUEFYBQC-HNNXBMFYSA-N	1	0	350.488	1.657	20	30		FDEDRO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCCN1CCC[C@H]1C(=O)N(C)C	ZINC000602527286	553599034	/nfs/dbraw/zinc/59/90/34/553599034.db2.gz	NRZYORYDXNSAPK-IRXDYDNUSA-N	1	0	350.507	1.618	20	30		FDEDRO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1CCN(CCC(=O)N(C)C)CC1	ZINC000602539288	553602352	/nfs/dbraw/zinc/60/23/52/553602352.db2.gz	IQDYACXESUSJDJ-INIZCTEOSA-N	1	0	350.507	1.618	20	30		FDEDRO
C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1	ZINC000602723644	553627905	/nfs/dbraw/zinc/62/79/05/553627905.db2.gz	ORCJWCNEAJHOKV-LSDHHAIUSA-N	1	0	355.446	1.392	20	30		FDEDRO
C[C@](O)(C[C@@H](O)CN1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C1CC1	ZINC000602799117	553640645	/nfs/dbraw/zinc/64/06/45/553640645.db2.gz	BABBBJMYYJJHQN-AQNXPRMDSA-N	1	0	361.461	1.920	20	30		FDEDRO
CCN(CC(F)(F)F)C(=O)CN1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000602835312	553647474	/nfs/dbraw/zinc/64/74/74/553647474.db2.gz	AJXVPYUSBOYUIL-CYBMUJFWSA-N	1	0	356.348	1.817	20	30		FDEDRO
C[C@@H]1C[NH+](C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C[C@@H](C)N1CC#N	ZINC000602847453	553649923	/nfs/dbraw/zinc/64/99/23/553649923.db2.gz	BYXKOJSUZIIESA-BFYDXBDKSA-N	1	0	372.469	1.229	20	30		FDEDRO
COCCOc1cccc(CNC(=O)CN2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1	ZINC000602867239	553655225	/nfs/dbraw/zinc/65/52/25/553655225.db2.gz	XOYGRBFOWRLPOM-CALCHBBNSA-N	1	0	374.485	1.246	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1	ZINC000602886892	553660364	/nfs/dbraw/zinc/66/03/64/553660364.db2.gz	KFHDZFLZDGFCPR-HIFRSBDPSA-N	1	0	353.426	1.819	20	30		FDEDRO
CN(C)C(=O)c1ccc(OC2CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC2)nc1	ZINC000602891108	553661778	/nfs/dbraw/zinc/66/17/78/553661778.db2.gz	VXKIAMOVJKFDQX-INIZCTEOSA-N	1	0	374.485	1.927	20	30		FDEDRO
Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCN(C)C[C@H]2CO)c1C#N	ZINC000602904735	553665343	/nfs/dbraw/zinc/66/53/43/553665343.db2.gz	LBDGUIGXPBMONA-KRWDZBQOSA-N	1	0	373.501	1.639	20	30		FDEDRO
C[NH+](C)C[C@H]1COC2(CCCC2)CN1C[C@@H](O)CC1(C#N)CCOCC1	ZINC000602909157	553666498	/nfs/dbraw/zinc/66/64/98/553666498.db2.gz	ZNXUYVCHNMNYMI-ROUUACIJSA-N	1	0	365.518	1.633	20	30		FDEDRO
N#CCSc1ccccc1NC(=O)Cn1cc(C[C@H]2CC[NH2+]C2)nn1	ZINC000603174759	553722496	/nfs/dbraw/zinc/72/24/96/553722496.db2.gz	CPSRFQNJNZJMCD-CYBMUJFWSA-N	1	0	356.455	1.684	20	30		FDEDRO
CC[NH2+]Cc1ccn(Cc2cn(Cc3ccc(OC)c(C#N)c3)nn2)n1	ZINC000603228825	553737275	/nfs/dbraw/zinc/73/72/75/553737275.db2.gz	IEKGEJSDRGZOHP-UHFFFAOYSA-N	1	0	351.414	1.561	20	30		FDEDRO
COCC[C@H]([NH3+])Cc1cn(Cc2cc(C#N)ccc2Br)nn1	ZINC000603241399	553740472	/nfs/dbraw/zinc/74/04/72/553740472.db2.gz	LSKAFMTXHRIEQF-ZDUSSCGKSA-N	1	0	364.247	1.867	20	30		FDEDRO
C[C@@H](CNc1ccc(C#N)cc1CS(N)(=O)=O)C[NH+]1CCCCC1	ZINC000603276242	553751116	/nfs/dbraw/zinc/75/11/16/553751116.db2.gz	LJOHPMKZZAIRHI-AWEZNQCLSA-N	1	0	350.488	1.881	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1	ZINC000603389717	553777652	/nfs/dbraw/zinc/77/76/52/553777652.db2.gz	DMNPNFSWZOQZHR-QGZVFWFLSA-N	1	0	364.453	1.535	20	30		FDEDRO
C[N@@H+]1CCCN(CCCNS(=O)(=O)c2ccc(C#N)cc2Cl)CC1	ZINC000603400815	553779808	/nfs/dbraw/zinc/77/98/08/553779808.db2.gz	BGKFMDMEYPYPRW-UHFFFAOYSA-N	1	0	370.906	1.518	20	30		FDEDRO
N#Cc1ccc(CCC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)cc1	ZINC000603408130	553781399	/nfs/dbraw/zinc/78/13/99/553781399.db2.gz	CAKMXFHKNWJWGG-FQEVSTJZSA-N	1	0	370.497	1.404	20	30		FDEDRO
N#Cc1cccc(F)c1CC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000603413554	553782399	/nfs/dbraw/zinc/78/23/99/553782399.db2.gz	YNEJAWTXLJTHDD-KRWDZBQOSA-N	1	0	374.460	1.153	20	30		FDEDRO
C[N@@H+]1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1(C)C	ZINC000603428089	553786208	/nfs/dbraw/zinc/78/62/08/553786208.db2.gz	JNWSOMYDLVQUHN-UHFFFAOYSA-N	1	0	356.474	1.658	20	30		FDEDRO
N#CC1(CNC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CCCC1	ZINC000603434608	553787986	/nfs/dbraw/zinc/78/79/86/553787986.db2.gz	DNAHAZQXUKJPPR-KRWDZBQOSA-N	1	0	363.506	1.166	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)CC1	ZINC000603885943	553824210	/nfs/dbraw/zinc/82/42/10/553824210.db2.gz	FGAZOAMMRLJYIL-MRXNPFEDSA-N	1	0	356.426	1.522	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1	ZINC000609114939	554338534	/nfs/dbraw/zinc/33/85/34/554338534.db2.gz	SOPXOWHELDQAJO-RBUKOAKNSA-N	1	0	356.470	1.754	20	30		FDEDRO
CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]1CCCN1c1ccc(C#N)cc1	ZINC000609525824	554387286	/nfs/dbraw/zinc/38/72/86/554387286.db2.gz	LAKNSXIWLJWKIT-HXUWFJFHSA-N	1	0	369.513	1.623	20	30		FDEDRO
C[C@H]([NH2+]C[C@H]1CCCN1c1cccnn1)C(=O)Nc1ccccc1C#N	ZINC000609574741	554395852	/nfs/dbraw/zinc/39/58/52/554395852.db2.gz	HYCASFRHSMECDS-GOEBONIOSA-N	1	0	350.426	1.934	20	30		FDEDRO
C[C@@H](CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)C[NH+]1CCN(C)CC1	ZINC000609623884	554403905	/nfs/dbraw/zinc/40/39/05/554403905.db2.gz	FSLKZICNJAGYOS-FXAWDEMLSA-N	1	0	369.513	1.527	20	30		FDEDRO
C[C@@H](CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)N1CC[NH+](C)CC1	ZINC000609624065	554404122	/nfs/dbraw/zinc/40/41/22/554404122.db2.gz	SPXPMEZDTYYDNY-LPHOPBHVSA-N	1	0	355.486	1.279	20	30		FDEDRO
COc1cc(OC)c(CC[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c(OC)c1	ZINC000609676775	554410633	/nfs/dbraw/zinc/41/06/33/554410633.db2.gz	SWVPSMGTSWWUOV-LJQANCHMSA-N	1	0	369.421	1.943	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NC(=O)NC2CCN(CC#N)CC2)[C@@H](C)C1	ZINC000609686062	554411657	/nfs/dbraw/zinc/41/16/57/554411657.db2.gz	GZQNJAVOKAHRPT-FUHWJXTLSA-N	1	0	365.522	1.411	20	30		FDEDRO
C[C@@H](NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(C#N)cc1	ZINC000609685073	554411663	/nfs/dbraw/zinc/41/16/63/554411663.db2.gz	PYMAIDAHJOONMO-VQIMIIECSA-N	1	0	371.485	1.325	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(CCC[NH+]2CCN([C@@H](C#N)C(C)C)CC2)CC1	ZINC000610133165	554465925	/nfs/dbraw/zinc/46/59/25/554465925.db2.gz	HWYKVIUBIJYVLA-SFTDATJTSA-N	1	0	374.577	1.708	20	30		FDEDRO
N#Cc1ccc(CNC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1	ZINC000610163893	554470532	/nfs/dbraw/zinc/47/05/32/554470532.db2.gz	IUUCMEDEFKYIAH-OAQYLSRUSA-N	1	0	364.449	1.994	20	30		FDEDRO
CNC(=O)CN1CCC(Nc2c(C#N)cnc3c(F)ccc(F)c32)CC1	ZINC000610246280	554477390	/nfs/dbraw/zinc/47/73/90/554477390.db2.gz	ZVLBSQLUKWFFDW-UHFFFAOYSA-N	1	0	359.380	1.429	20	30		FDEDRO
C[NH+](C)CCn1cc(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cn1	ZINC000610478285	554516164	/nfs/dbraw/zinc/51/61/64/554516164.db2.gz	YMQPNAHAJQAJPX-UHFFFAOYSA-N	1	0	368.445	1.065	20	30		FDEDRO
Cc1cc(NC(=O)NC2CCN(CC#N)CC2)n(C2CC[NH+](C)CC2)n1	ZINC000610572118	554532034	/nfs/dbraw/zinc/53/20/34/554532034.db2.gz	FIRLECHALAYELG-UHFFFAOYSA-N	1	0	359.478	1.568	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN(c3ncnc4c3cnn4CCC#N)C2)CC1	ZINC000610726035	554554965	/nfs/dbraw/zinc/55/49/65/554554965.db2.gz	CDNQSFCEPGUSAX-MRXNPFEDSA-N	1	0	368.489	1.345	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1	ZINC000611210793	554615689	/nfs/dbraw/zinc/61/56/89/554615689.db2.gz	SBOWHZHINZCEKD-SCTDSRPQSA-N	1	0	357.454	1.483	20	30		FDEDRO
CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1ccccc1OCC(=O)NC	ZINC000611379728	554629958	/nfs/dbraw/zinc/62/99/58/554629958.db2.gz	BZYKPTXSTKZFAP-GOEBONIOSA-N	1	0	360.458	1.613	20	30		FDEDRO
Cc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(C#N)c2)cc1S(N)(=O)=O	ZINC000611388007	554630523	/nfs/dbraw/zinc/63/05/23/554630523.db2.gz	BVHIVGYONJISKX-CYBMUJFWSA-N	1	0	372.450	1.803	20	30		FDEDRO
Cc1cc(=NC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)[nH]n1CCC#N	ZINC000611481833	554636862	/nfs/dbraw/zinc/63/68/62/554636862.db2.gz	ACDXBWOIQVTJRO-WBVHZDCISA-N	1	0	373.505	1.595	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NC1CCN(CC#N)CC1	ZINC000613212778	554899875	/nfs/dbraw/zinc/89/98/75/554899875.db2.gz	OPLXPVVCTQGPRY-QFBILLFUSA-N	1	0	355.486	1.794	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000613992108	554995034	/nfs/dbraw/zinc/99/50/34/554995034.db2.gz	HIMPOZPFYBRKBP-WOJBJXKFSA-N	1	0	373.497	1.865	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000615226734	555174704	/nfs/dbraw/zinc/17/47/04/555174704.db2.gz	KYKQWWJWBMIPPW-NCOADZHNSA-N	1	0	351.491	1.271	20	30		FDEDRO
C[C@@H]1OCC[C@]1(C)[NH2+]CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000617252598	555406580	/nfs/dbraw/zinc/40/65/80/555406580.db2.gz	LMZSRZQLAPUOIT-QSFXBCCZSA-N	1	0	374.460	1.692	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1	ZINC000617974313	555551429	/nfs/dbraw/zinc/55/14/29/555551429.db2.gz	ILINDORVMWONBN-LJQANCHMSA-N	1	0	358.486	1.881	20	30		FDEDRO
C[C@H]1OCC[C@]12C[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)C[C@@H](C)O2	ZINC000619175492	555733248	/nfs/dbraw/zinc/73/32/48/555733248.db2.gz	ALQVYQFJSXMHIG-HBXLWWENSA-N	1	0	360.454	1.761	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNS(=O)(=O)c2cccc(CC#N)c2)ccn1	ZINC000619494266	555788482	/nfs/dbraw/zinc/78/84/82/555788482.db2.gz	MAZKYTFYGUCYJA-UHFFFAOYSA-N	1	0	374.466	1.567	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)n1cnc(C#N)n1	ZINC000619600101	555806648	/nfs/dbraw/zinc/80/66/48/555806648.db2.gz	GTULFAQRLRJGMR-OIISXLGYSA-N	1	0	350.426	1.301	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1	ZINC000619711038	555824278	/nfs/dbraw/zinc/82/42/78/555824278.db2.gz	FSRUYDSQBUEQIR-KRWDZBQOSA-N	1	0	350.488	1.673	20	30		FDEDRO
C=C[C@@H](C(=O)OC)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000619717051	555825742	/nfs/dbraw/zinc/82/57/42/555825742.db2.gz	OYTZREISRUAZHP-MSOLQXFVSA-N	1	0	358.486	1.643	20	30		FDEDRO
C[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)C[C@H](O)Cc1ccccc1	ZINC000625447467	556810338	/nfs/dbraw/zinc/81/03/38/556810338.db2.gz	SEZRIGLUAFCKPV-GOSISDBHSA-N	1	0	362.429	1.821	20	30		FDEDRO
C=CCC1([NH2+]CC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)CCCCC1	ZINC000625936981	556955027	/nfs/dbraw/zinc/95/50/27/556955027.db2.gz	FOJINUGYLNQEPA-INIZCTEOSA-N	1	0	372.531	1.517	20	30		FDEDRO
[NH3+]CCCOCCNC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1	ZINC000626891706	557217699	/nfs/dbraw/zinc/21/76/99/557217699.db2.gz	FUNFWOKSRXHWBF-UHFFFAOYSA-N	1	0	371.462	1.568	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cn(C)nc2-c2ccco2)CC1	ZINC000627314868	557348132	/nfs/dbraw/zinc/34/81/32/557348132.db2.gz	PCKPWSDBCACOLS-UHFFFAOYSA-N	1	0	371.441	1.775	20	30		FDEDRO
C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)C1	ZINC000627735160	557482964	/nfs/dbraw/zinc/48/29/64/557482964.db2.gz	MFTRYKXWBATEEH-HNNXBMFYSA-N	1	0	372.469	1.940	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)cc1	ZINC000633046212	558249115	/nfs/dbraw/zinc/24/91/15/558249115.db2.gz	UJOUJBMLFCRUNA-MRXNPFEDSA-N	1	0	372.469	1.435	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccnn2CC2CCC2)CC1	ZINC000635050198	558564556	/nfs/dbraw/zinc/56/45/56/558564556.db2.gz	GOINKZFVHDJXII-UHFFFAOYSA-N	1	0	359.474	1.778	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC)c(COC)c2)CC1	ZINC000635068243	558569632	/nfs/dbraw/zinc/56/96/32/558569632.db2.gz	HOZAYSJBSKIZJY-UHFFFAOYSA-N	1	0	361.442	1.547	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000366034437	568262805	/nfs/dbraw/zinc/26/28/05/568262805.db2.gz	NWKPGRUGBBHADF-KDOFPFPSSA-N	1	0	368.485	1.704	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1COC(=O)[C@H](C)Oc1ccccc1-c1nn[nH]n1	ZINC000735374477	598295398	/nfs/dbraw/zinc/29/53/98/598295398.db2.gz	JHLYNJZQVWSLGQ-KBPBESRZSA-N	1	0	355.398	1.275	20	30		FDEDRO
C=CCCC[N@@H+](C)CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O	ZINC000735412482	599469357	/nfs/dbraw/zinc/46/93/57/599469357.db2.gz	CSVYADSEMQPGCI-UHFFFAOYSA-N	1	0	369.429	1.486	20	30		FDEDRO
C=CCCC[N@@H+](C)CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O	ZINC000735412505	599469890	/nfs/dbraw/zinc/46/98/90/599469890.db2.gz	DQFSIOKQUFKPTQ-UHFFFAOYSA-N	1	0	369.429	1.486	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCN(c2ccc(Br)cc2C#N)CC1	ZINC000272845050	674480483	/nfs/dbraw/zinc/48/04/83/674480483.db2.gz	NSPLXJPUQOUPSO-UHFFFAOYSA-N	1	0	365.275	1.921	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C#Cc1ccccc1	ZINC000821586273	606151026	/nfs/dbraw/zinc/15/10/26/606151026.db2.gz	QRONCLISPADRCM-UHFFFAOYSA-N	1	0	374.448	1.809	20	30		FDEDRO
COCCNC(=[NH2+])NCCc1cn2cc(Br)cc(C)c2n1	ZINC000273512010	674544632	/nfs/dbraw/zinc/54/46/32/674544632.db2.gz	RCQVDHKTUMWTGX-UHFFFAOYSA-N	1	0	354.252	1.498	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)C2(C#N)CCCCC2)c1-c1nn[nH]n1	ZINC000826073261	608021898	/nfs/dbraw/zinc/02/18/98/608021898.db2.gz	LWSRWRZLWYCIKR-UHFFFAOYSA-N	1	0	357.422	1.154	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1	ZINC000826186809	608034495	/nfs/dbraw/zinc/03/44/95/608034495.db2.gz	LNOHPVWWYWVXPR-UHFFFAOYSA-N	1	0	367.417	1.117	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1	ZINC000824531702	608481367	/nfs/dbraw/zinc/48/13/67/608481367.db2.gz	QQNSXMHXBPYSIN-LXIYXOSZSA-N	1	0	355.446	1.960	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCC(C)(C)C#N	ZINC000825865983	609412533	/nfs/dbraw/zinc/41/25/33/609412533.db2.gz	OFLVYNBVNXQMML-UHFFFAOYSA-N	1	0	370.461	1.490	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCC2([NH+](C)C)CCC2)c1	ZINC000275872885	674654964	/nfs/dbraw/zinc/65/49/64/674654964.db2.gz	KBXAWGLMJBYDBT-UHFFFAOYSA-N	1	0	351.472	1.365	20	30		FDEDRO
C=CCN1C(=S)N=NC1c1sc(NC(=O)C[C@@H](C[NH3+])OC)nc1C	ZINC000278175274	675102633	/nfs/dbraw/zinc/10/26/33/675102633.db2.gz	KVEIWEJYUBTSEV-VIFPVBQESA-N	1	0	368.488	1.487	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](C[NH+](C)C)C2)cc1	ZINC000278649166	675167187	/nfs/dbraw/zinc/16/71/87/675167187.db2.gz	PQJAANJKNOSKBB-ZIAGYGMSSA-N	1	0	364.471	1.788	20	30		FDEDRO
NC(=NOC[C@H]1CCS(=O)(=O)C1)c1cccc(C[NH+]2CCCCC2)c1	ZINC000278703947	675182406	/nfs/dbraw/zinc/18/24/06/675182406.db2.gz	RDKPFZRRQIUWLF-MRXNPFEDSA-N	1	0	365.499	1.744	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H](c2cccs2)N2CCOCC2)CC1	ZINC000057136795	671261624	/nfs/dbraw/zinc/26/16/24/671261624.db2.gz	CNERQBYFYYXHMK-QGZVFWFLSA-N	1	0	361.511	1.583	20	30		FDEDRO
COCCNS(=O)(=O)c1ccc(C[NH2+]Cc2cccc(C#N)c2)cc1	ZINC000062253717	671301405	/nfs/dbraw/zinc/30/14/05/671301405.db2.gz	QFRIZNNSMOBHEM-UHFFFAOYSA-N	1	0	359.451	1.773	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CSCCS2)CC1	ZINC000286643668	675897766	/nfs/dbraw/zinc/89/77/66/675897766.db2.gz	NCEHFJLZXDRFEZ-CQSZACIVSA-N	1	0	357.545	1.108	20	30		FDEDRO
COc1cc(OC)cc(N2CC[C@H](CNC(=[NH2+])N3CCSCC3)C2)c1	ZINC000089121021	671491837	/nfs/dbraw/zinc/49/18/37/671491837.db2.gz	CDPIVHPDNQNVKZ-CQSZACIVSA-N	1	0	364.515	1.894	20	30		FDEDRO
C#CCCCC[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1	ZINC000090397942	671501138	/nfs/dbraw/zinc/50/11/38/671501138.db2.gz	XHLBBLNCJHHUSP-CQSZACIVSA-N	1	0	372.512	1.866	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(CC(F)(F)F)C(=O)C2)CC1	ZINC000287516976	675917632	/nfs/dbraw/zinc/91/76/32/675917632.db2.gz	VFTVMBREZMRFSW-UHFFFAOYSA-N	1	0	362.396	1.443	20	30		FDEDRO
COc1ccc([C@@H](CNC(=[NH2+])NC(C)C)N2CCOCC2)cc1OC	ZINC000104154819	671594411	/nfs/dbraw/zinc/59/44/11/671594411.db2.gz	PAEFJSCKIWLNLS-OAHLLOKOSA-N	1	0	350.463	1.390	20	30		FDEDRO
CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000119538855	671676173	/nfs/dbraw/zinc/67/61/73/671676173.db2.gz	PDDICYRXALWBDV-UHFFFAOYSA-N	1	0	350.394	1.515	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cc(S(=O)(=O)NC)oc1C	ZINC000121280703	671702068	/nfs/dbraw/zinc/70/20/68/671702068.db2.gz	OVYJDLUIKWFRRW-GFCCVEGCSA-N	1	0	356.444	1.387	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cccc(S(=O)(=O)NC)c1	ZINC000121446643	671704633	/nfs/dbraw/zinc/70/46/33/671704633.db2.gz	HEIJGVBNGOGZQQ-CQSZACIVSA-N	1	0	352.456	1.485	20	30		FDEDRO
CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2cccc(F)c2C#N)CC1	ZINC000124452141	671737959	/nfs/dbraw/zinc/73/79/59/671737959.db2.gz	RSZYURFUWFWIQW-UHFFFAOYSA-N	1	0	369.462	1.865	20	30		FDEDRO
[NH2+]=C(NCCc1cccs1)NC[C@@H](O)CS(=O)(=O)c1cccs1	ZINC000130780659	671797699	/nfs/dbraw/zinc/79/76/99/671797699.db2.gz	QCMGSAVAZFSRTL-LLVKDONJSA-N	1	0	373.525	1.091	20	30		FDEDRO
Cc1csc(CC(N)=NOCC(=O)NC2CC[NH+](C3CC3)CC2)n1	ZINC000151266144	671862073	/nfs/dbraw/zinc/86/20/73/671862073.db2.gz	LACRNVPLNFHTGY-UHFFFAOYSA-N	1	0	351.476	1.026	20	30		FDEDRO
CC[NH+]=C(NCCNS(=O)(=O)c1ccc(Cl)s1)N1CCCC1	ZINC000156574502	671957335	/nfs/dbraw/zinc/95/73/35/671957335.db2.gz	DVNMTECVFMWSHY-UHFFFAOYSA-N	1	0	364.924	1.741	20	30		FDEDRO
[NH2+]=C(NCCNS(=O)(=O)c1cccs1)NCCc1cccs1	ZINC000160494230	672002000	/nfs/dbraw/zinc/00/20/00/672002000.db2.gz	RQCZZBQBOCVYKN-UHFFFAOYSA-N	1	0	358.514	1.235	20	30		FDEDRO
C#CCCCNc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-]	ZINC000172778685	672071814	/nfs/dbraw/zinc/07/18/14/672071814.db2.gz	RFZPEOGEBVOXKL-UHFFFAOYSA-N	1	0	368.459	1.650	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1CC(N)=NOCC(=O)NCc1cc(F)cc(F)c1	ZINC000174147337	672090269	/nfs/dbraw/zinc/09/02/69/672090269.db2.gz	GJHSFKKIOITDFP-GFCCVEGCSA-N	1	0	354.401	1.744	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C[C@H]2CCC[NH2+]2)cc1	ZINC000178429925	672141463	/nfs/dbraw/zinc/14/14/63/672141463.db2.gz	JMAWADFZPWJSGX-XSOQZJFOSA-N	1	0	364.471	1.580	20	30		FDEDRO
CCOCCCNC(=[NH2+])NCc1ccc(N2CCCS2(=O)=O)c(F)c1	ZINC000187046763	672279250	/nfs/dbraw/zinc/27/92/50/672279250.db2.gz	XLLYITPROGVVPV-UHFFFAOYSA-N	1	0	372.466	1.197	20	30		FDEDRO
C[NH+]1CCN(CCCNC(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000191164427	672339188	/nfs/dbraw/zinc/33/91/88/672339188.db2.gz	RWOPYQKARZRGGD-UHFFFAOYSA-N	1	0	353.388	1.811	20	30		FDEDRO
C#CCN(C1CCCC1)S(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C	ZINC000192777224	672358942	/nfs/dbraw/zinc/35/89/42/672358942.db2.gz	LBECKUNKOXEWSY-UHFFFAOYSA-N	1	0	352.504	1.628	20	30		FDEDRO
C[NH2+]CC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1	ZINC000237303947	672421948	/nfs/dbraw/zinc/42/19/48/672421948.db2.gz	PSTDILCAUQOZRQ-CYVLTUHYSA-N	1	0	352.460	1.438	20	30		FDEDRO
C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1	ZINC000246002239	672479594	/nfs/dbraw/zinc/47/95/94/672479594.db2.gz	IWOHJXKQDJIHJD-CVEARBPZSA-N	1	0	356.463	1.896	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC[C@H]1O	ZINC000249582202	672572735	/nfs/dbraw/zinc/57/27/35/672572735.db2.gz	RNPIEVIXLNPZIA-BZUAXINKSA-N	1	0	362.499	1.160	20	30		FDEDRO
C[NH+]=C(NCC1(N2CCOCC2)CCCCC1)N(C)C[C@@H]1CCOC1	ZINC000261602060	672633347	/nfs/dbraw/zinc/63/33/47/672633347.db2.gz	BYXZFHSXMHYZAW-KRWDZBQOSA-N	1	0	352.523	1.565	20	30		FDEDRO
CC[NH+]=C(NCCN1CCOCC1)N1CCN(c2cccs2)CC1	ZINC000261664414	672646359	/nfs/dbraw/zinc/64/63/59/672646359.db2.gz	BHULOZVIGRJNQU-UHFFFAOYSA-N	1	0	351.520	1.168	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])c1	ZINC000261731560	672660690	/nfs/dbraw/zinc/66/06/90/672660690.db2.gz	HTIADBPZPZBBSW-UKRRQHHQSA-N	1	0	351.472	1.350	20	30		FDEDRO
C[NH+]=C(NC[C@@H](O)C(F)(F)F)N(C)Cc1cc(Br)cn1C	ZINC000261758938	672666261	/nfs/dbraw/zinc/66/62/61/672666261.db2.gz	MSEHMYHKYWXVRL-SNVBAGLBSA-N	1	0	371.201	1.718	20	30		FDEDRO
C[NH+]=C(NCc1cccc(NS(C)(=O)=O)c1)N(C)Cc1ccon1	ZINC000261864612	672685576	/nfs/dbraw/zinc/68/55/76/672685576.db2.gz	ZVKMTWDBBKIMBR-UHFFFAOYSA-N	1	0	351.432	1.254	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1C[C@@](C)(OC)C1(C)C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261937416	672697220	/nfs/dbraw/zinc/69/72/20/672697220.db2.gz	CSRUJUMHTCWVQG-CXAGYDPISA-N	1	0	359.536	1.665	20	30		FDEDRO
CC[NH+]=C(NCCNS(C)(=O)=O)N[C@H]1CC(C)(C)Oc2ccccc21	ZINC000261936667	672697346	/nfs/dbraw/zinc/69/73/46/672697346.db2.gz	CQAYERHFJSSRCT-AWEZNQCLSA-N	1	0	368.503	1.393	20	30		FDEDRO
C[NH+]=C(NCCC(=O)NC(C)(C)C)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000262016054	672712340	/nfs/dbraw/zinc/71/23/40/672712340.db2.gz	VPXOLJXRHMTFCB-UHFFFAOYSA-N	1	0	353.511	1.198	20	30		FDEDRO
CN(C)C(=O)CNC(=[NH+]C1CCCC1)N1CC[C@@H](C2CCOCC2)C1	ZINC000262246038	672753709	/nfs/dbraw/zinc/75/37/09/672753709.db2.gz	AZULILHQIFGLDL-MRXNPFEDSA-N	1	0	350.507	1.711	20	30		FDEDRO
CN(C)C(=O)CNC(=[NH+]C1CCCCC1)N1CC[C@H]([C@H]2CCOC2)C1	ZINC000262273323	672759646	/nfs/dbraw/zinc/75/96/46/672759646.db2.gz	HHNYMRBYZUAAJQ-HOTGVXAUSA-N	1	0	350.507	1.711	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)=[NH+]C1CCCC1	ZINC000262276990	672760251	/nfs/dbraw/zinc/76/02/51/672760251.db2.gz	IENJNWBNSKREAC-UAGQMJEPSA-N	1	0	350.507	1.756	20	30		FDEDRO
O=S1(=O)CC[C@@H](CNC(NC2CCOCC2)=[NH+]CC2CCCCC2)C1	ZINC000262334403	672772164	/nfs/dbraw/zinc/77/21/64/672772164.db2.gz	BOQZXIWCMCMJQR-INIZCTEOSA-N	1	0	371.547	1.716	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(NC[C@@H]2CCc3ccccc32)=[NH+]C2CC2)C1	ZINC000262363717	672777010	/nfs/dbraw/zinc/77/70/10/672777010.db2.gz	HIQNXEZCDDYZGX-ZBFHGGJFSA-N	1	0	361.511	1.849	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1COC2(CCCCCC2)O1)NC[C@@H]1CCS(=O)(=O)C1	ZINC000262389207	672781556	/nfs/dbraw/zinc/78/15/56/672781556.db2.gz	LVOHRSNNKHICFV-LSDHHAIUSA-N	1	0	373.519	1.052	20	30		FDEDRO
C=CCNC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+][C@H]1CCOC2(CCC2)C1	ZINC000262389549	672781562	/nfs/dbraw/zinc/78/15/62/672781562.db2.gz	LWXIWNNASCWZHP-GJZGRUSLSA-N	1	0	355.504	1.244	20	30		FDEDRO
C[NH+]=C(NCCc1c[nH]c2cc(F)ccc12)NC[C@]1(O)CCSC1	ZINC000262390657	672781949	/nfs/dbraw/zinc/78/19/49/672781949.db2.gz	MEBDDJQBJJGUPZ-QGZVFWFLSA-N	1	0	350.463	1.883	20	30		FDEDRO
CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCOC2(CCC2)C1	ZINC000262430279	672788185	/nfs/dbraw/zinc/78/81/85/672788185.db2.gz	SKDSJQXCOAALFK-GJZGRUSLSA-N	1	0	357.520	1.468	20	30		FDEDRO
C[C@@H]1CCC[C@H]([NH+]=C(NC[C@@H]2CCS(=O)(=O)C2)NC[C@@H]2CCCO2)C1	ZINC000262432689	672788513	/nfs/dbraw/zinc/78/85/13/672788513.db2.gz	SQWOQNODGPHBND-QZWWFDLISA-N	1	0	371.547	1.714	20	30		FDEDRO
C[NH+]=C(NCc1csc(Br)c1)NC[C@@H](O)c1cnn(C)c1	ZINC000262434741	672788844	/nfs/dbraw/zinc/78/88/44/672788844.db2.gz	SBQZYQURAZJLHD-LLVKDONJSA-N	1	0	372.292	1.643	20	30		FDEDRO
CC1CCN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C[C@@H]2CCCCO2)CC1	ZINC000262453971	672792215	/nfs/dbraw/zinc/79/22/15/672792215.db2.gz	WMVQRXSGFZHPSP-IRXDYDNUSA-N	1	0	371.547	1.668	20	30		FDEDRO
C=CCNC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+][C@H]1CCOC2(CCCC2)C1	ZINC000262454848	672792681	/nfs/dbraw/zinc/79/26/81/672792681.db2.gz	WPSDYLIHLKWSRP-HOTGVXAUSA-N	1	0	369.531	1.634	20	30		FDEDRO
CCS(=O)(=O)NCCNC(=[NH+]C)N1CC[C@H](c2ccccc2C)C1	ZINC000262487682	672797276	/nfs/dbraw/zinc/79/72/76/672797276.db2.gz	TWBFRPRWFWGLTA-HNNXBMFYSA-N	1	0	352.504	1.299	20	30		FDEDRO
CCc1nc(CN2CCC(CNC(=[NH2+])N3CCO[C@H](C)C3)CC2)cs1	ZINC000262487108	672797441	/nfs/dbraw/zinc/79/74/41/672797441.db2.gz	STZMSHBIONBSRO-CQSZACIVSA-N	1	0	365.547	1.953	20	30		FDEDRO
C[C@@H]1[C@H](C)[NH2+]CCN1S(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000262763322	672844481	/nfs/dbraw/zinc/84/44/81/672844481.db2.gz	JZOYLJRJSHCNFU-VHSXEESVSA-N	1	0	358.261	1.692	20	30		FDEDRO
CC[NH+]=C(NC[C@](C)(O)CC)N1CCS(=O)(=O)C2(CCCCC2)C1	ZINC000262770495	672846600	/nfs/dbraw/zinc/84/66/00/672846600.db2.gz	HMNIOQJOZBOEGC-MRXNPFEDSA-N	1	0	359.536	1.546	20	30		FDEDRO
C[NH+]=C(NCCNS(C)(=O)=O)N1CC2(CCCC2)c2ccccc21	ZINC000262787437	672849476	/nfs/dbraw/zinc/84/94/76/672849476.db2.gz	MTUZAKSELXQNSF-UHFFFAOYSA-N	1	0	350.488	1.443	20	30		FDEDRO
CO[C@H]1COCC[C@H]1CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1	ZINC000263157338	672864641	/nfs/dbraw/zinc/86/46/41/672864641.db2.gz	QEKISAIXJYQPCG-YOEHRIQHSA-N	1	0	350.438	1.314	20	30		FDEDRO
CCN(CC)[C@@H](CNC(NCCN1CCOCC1)=[NH+]C)c1ccco1	ZINC000264994977	672927660	/nfs/dbraw/zinc/92/76/60/672927660.db2.gz	SCZUOSHLAZHJNI-INIZCTEOSA-N	1	0	351.495	1.160	20	30		FDEDRO
CCS(=O)(=O)NCCCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1	ZINC000266994296	673231071	/nfs/dbraw/zinc/23/10/71/673231071.db2.gz	WOMFGQRGUQXUCD-UHFFFAOYSA-N	1	0	366.409	1.439	20	30		FDEDRO
CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2cncc(C#N)c2)CC1	ZINC000289463756	676140261	/nfs/dbraw/zinc/14/02/61/676140261.db2.gz	MJCMYURHVLPJRH-UHFFFAOYSA-N	1	0	352.460	1.121	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CCN2CCC[C@H]([NH+]3CCCC3)CC2)nc1	ZINC000290273982	676194403	/nfs/dbraw/zinc/19/44/03/676194403.db2.gz	LQYHLYAFURWOGK-KRWDZBQOSA-N	1	0	362.499	1.677	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCCCc2nccs2)CC1	ZINC000290753924	676229244	/nfs/dbraw/zinc/22/92/44/676229244.db2.gz	YNUKAWJGATXMBC-UHFFFAOYSA-N	1	0	353.492	1.943	20	30		FDEDRO
CS(=O)(=O)C1(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)CC1	ZINC000280118074	675383783	/nfs/dbraw/zinc/38/37/83/675383783.db2.gz	ZKRUNKMBDPEDMA-UHFFFAOYSA-N	1	0	351.350	1.889	20	30		FDEDRO
Cc1oc(C#N)cc1C(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1	ZINC000280717356	675451075	/nfs/dbraw/zinc/45/10/75/675451075.db2.gz	UQXDUECTLNQEIR-ZDUSSCGKSA-N	1	0	353.444	1.041	20	30		FDEDRO
COc1cc(C[NH2+]CCS(=O)(=O)N2CCSCC2)ccc1C#N	ZINC000281655417	675541316	/nfs/dbraw/zinc/54/13/16/675541316.db2.gz	KIHOKPBGSGAFRH-UHFFFAOYSA-N	1	0	355.485	1.035	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1	ZINC000281841285	675567377	/nfs/dbraw/zinc/56/73/77/675567377.db2.gz	WWPHFMTVOUGRIZ-HOTGVXAUSA-N	1	0	352.504	1.823	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(F)c1	ZINC000282625884	675637826	/nfs/dbraw/zinc/63/78/26/675637826.db2.gz	BRHAWVVGFBHWCJ-CQSZACIVSA-N	1	0	356.467	1.526	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC(F)F)nc2)CC1	ZINC000283456901	675657293	/nfs/dbraw/zinc/65/72/93/675657293.db2.gz	ZYBDUEJQUJDQKC-UHFFFAOYSA-N	1	0	354.357	1.388	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N(C)CC1(CO)CC1)C(C)C	ZINC000284072633	675671475	/nfs/dbraw/zinc/67/14/75/675671475.db2.gz	NXVNKZSEBXPVHB-INIZCTEOSA-N	1	0	351.491	1.032	20	30		FDEDRO
N#Cc1ccsc1NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000293220901	676338450	/nfs/dbraw/zinc/33/84/50/676338450.db2.gz	BNZIHNGAXJMUCJ-UHFFFAOYSA-N	1	0	362.455	1.319	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCN(C[C@@H]3CCOC3)CC2)cc1F	ZINC000293323744	676345285	/nfs/dbraw/zinc/34/52/85/676345285.db2.gz	JENMNMLUZFDJGW-ZDUSSCGKSA-N	1	0	353.419	1.040	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CNC(=O)c1ccccc1OC(F)F	ZINC000293928571	676370993	/nfs/dbraw/zinc/37/09/93/676370993.db2.gz	HQKJRRBLPFMQDU-UHFFFAOYSA-N	1	0	353.369	1.089	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(S(=O)(=O)CC)s1	ZINC000296967873	676422367	/nfs/dbraw/zinc/42/23/67/676422367.db2.gz	QMQXYLRAMWMKLY-UHFFFAOYSA-N	1	0	357.501	1.296	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N(CCNC(C)=O)Cc1ccsc1	ZINC000297041613	676422952	/nfs/dbraw/zinc/42/29/52/676422952.db2.gz	WPJAHOWQEUFIBD-UHFFFAOYSA-N	1	0	350.488	1.351	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1	ZINC000298492836	676468897	/nfs/dbraw/zinc/46/88/97/676468897.db2.gz	XBOBGWRBYUWMEP-CQSZACIVSA-N	1	0	363.483	1.365	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)[C@H]1CCN(c2sccc2C#N)C1=O	ZINC000298701058	676489295	/nfs/dbraw/zinc/48/92/95/676489295.db2.gz	ZXUUTWLHOZUPSK-INIZCTEOSA-N	1	0	363.531	1.540	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)CCN1CCCS1(=O)=O)C(C)C	ZINC000299152048	676519696	/nfs/dbraw/zinc/51/96/96/676519696.db2.gz	QREVPYLFUJCJBB-INIZCTEOSA-N	1	0	357.520	1.227	20	30		FDEDRO
CN(C)C(NCCNS(=O)(=O)c1ccccc1)=[NH+]Cc1ccccc1	ZINC000303784627	676543036	/nfs/dbraw/zinc/54/30/36/676543036.db2.gz	PMFUOULMBSEZCZ-UHFFFAOYSA-N	1	0	360.483	1.672	20	30		FDEDRO
COc1cccc(NC(=[NH2+])NCCNS(=O)(=O)c2ccc(C)cc2)c1	ZINC000303784445	676543081	/nfs/dbraw/zinc/54/30/81/676543081.db2.gz	PBSWISYVICNGTD-UHFFFAOYSA-N	1	0	362.455	1.709	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1csc(-c2ccccc2)n1	ZINC000303789720	676543182	/nfs/dbraw/zinc/54/31/82/676543182.db2.gz	VPUIYPYYOALOCI-UHFFFAOYSA-N	1	0	359.499	1.937	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(NCCN2CCOCC2)=[NH+]C)C12CCCCC2	ZINC000304738916	676544212	/nfs/dbraw/zinc/54/42/12/676544212.db2.gz	SVFVOVNATCQAJQ-DLBZAZTESA-N	1	0	352.523	1.612	20	30		FDEDRO
CCNS(=O)(=O)c1ccc(CNC(=[NH2+])Nc2ccc(OC)cc2)cc1	ZINC000305075324	676544831	/nfs/dbraw/zinc/54/48/31/676544831.db2.gz	QXHDWLXEIVRKET-UHFFFAOYSA-N	1	0	362.455	1.920	20	30		FDEDRO
COC(=O)CCCCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000305036562	676544838	/nfs/dbraw/zinc/54/48/38/676544838.db2.gz	SUFCUGAWMYEDBL-ZDUSSCGKSA-N	1	0	354.451	1.210	20	30		FDEDRO
CC(C)[C@H](C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)N1CCCS1(=O)=O	ZINC000328717128	676603790	/nfs/dbraw/zinc/60/37/90/676603790.db2.gz	PEQJXFYPOVMTEM-OAHLLOKOSA-N	1	0	374.551	1.029	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CCCC12CCOCC2	ZINC000328767181	676606033	/nfs/dbraw/zinc/60/60/33/676606033.db2.gz	FOROLJPKMICBOQ-SJORKVTESA-N	1	0	352.523	1.865	20	30		FDEDRO
C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC1	ZINC000328802985	676607646	/nfs/dbraw/zinc/60/76/46/676607646.db2.gz	JVNMIGDDIASRIY-HIFRSBDPSA-N	1	0	354.520	1.075	20	30		FDEDRO
C[C@H](NC(=O)NCc1nc(N(C)C)no1)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000328811531	676608064	/nfs/dbraw/zinc/60/80/64/676608064.db2.gz	FFKVZGLKHSKZDH-QWHCGFSZSA-N	1	0	350.467	1.792	20	30		FDEDRO
CN1CCO[C@H]2CCN(CC(=O)Nc3nnc(C(C)(C)C)s3)C[C@@H]21	ZINC000328924143	676612404	/nfs/dbraw/zinc/61/24/04/676612404.db2.gz	VHBGUWKZDJFYGZ-RYUDHWBXSA-N	1	0	353.492	1.829	20	30		FDEDRO
CC(=O)N1CCC[C@](O)(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1	ZINC000328972851	676614342	/nfs/dbraw/zinc/61/43/42/676614342.db2.gz	BXJAINKTBQGBNS-SIXWZSSISA-N	1	0	351.491	1.969	20	30		FDEDRO
CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)N(C(=O)NC2CC[NH+](C(C)C)CC2)C1	ZINC000329007072	676615856	/nfs/dbraw/zinc/61/58/56/676615856.db2.gz	ZEAKBYZANQQHLX-CABCVRRESA-N	1	0	350.467	1.662	20	30		FDEDRO
Cc1noc([C@@H]2CN(C(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)CCN2C)n1	ZINC000329076319	676618717	/nfs/dbraw/zinc/61/87/17/676618717.db2.gz	PSTUWHJRIRSWSW-KFWWJZLASA-N	1	0	350.467	1.453	20	30		FDEDRO
CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H](C)C(=O)N2CCCC[C@H]2C)[N@H+](C)C1	ZINC000329134956	676622190	/nfs/dbraw/zinc/62/21/90/676622190.db2.gz	QHVXDJFDQIDQKS-WCVJEAGWSA-N	1	0	354.495	1.341	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)CCSC1	ZINC000329171950	676623683	/nfs/dbraw/zinc/62/36/83/676623683.db2.gz	KUAAMNQEBMXHCW-KSSFIOAISA-N	1	0	368.547	1.861	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CCCC1	ZINC000329226006	676626813	/nfs/dbraw/zinc/62/68/13/676626813.db2.gz	HBZLBVWCOHGFGW-CQSZACIVSA-N	1	0	372.535	1.321	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)CCSC1	ZINC000329233368	676627142	/nfs/dbraw/zinc/62/71/42/676627142.db2.gz	LYFKSOKOZGGOIL-PBHICJAKSA-N	1	0	354.520	1.282	20	30		FDEDRO
CC[C@@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)C[C@@H](C)S1(=O)=O	ZINC000329231476	676627237	/nfs/dbraw/zinc/62/72/37/676627237.db2.gz	KROZVEHINFQVKD-BZUAXINKSA-N	1	0	359.536	1.918	20	30		FDEDRO
C[NH+](C)[C@@]1(CNC(=O)N2CCC(O)(C(F)(F)F)CC2)CCSC1	ZINC000329368048	676635581	/nfs/dbraw/zinc/63/55/81/676635581.db2.gz	JCAOSRWVKPFWCA-GFCCVEGCSA-N	1	0	355.426	1.727	20	30		FDEDRO
C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)N[C@H]1CCC(=O)NC12CCC2	ZINC000329404561	676637278	/nfs/dbraw/zinc/63/72/78/676637278.db2.gz	AMGQYEKMWDHUPI-ILXRZTDVSA-N	1	0	350.463	1.737	20	30		FDEDRO
CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)C1	ZINC000329458712	676639557	/nfs/dbraw/zinc/63/95/57/676639557.db2.gz	RGSXZRILVLXRHJ-YESZJQIVSA-N	1	0	350.507	1.821	20	30		FDEDRO
CC(C)N1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1=O	ZINC000329477889	676640574	/nfs/dbraw/zinc/64/05/74/676640574.db2.gz	CAUIOMXJSDKMJK-UHFFFAOYSA-N	1	0	352.479	1.098	20	30		FDEDRO
CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1	ZINC000329480963	676640767	/nfs/dbraw/zinc/64/07/67/676640767.db2.gz	DEMAMAIBICICOF-MRXNPFEDSA-N	1	0	351.495	1.608	20	30		FDEDRO
C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)C1=CC[N@H+](C)CC1	ZINC000329509421	676641960	/nfs/dbraw/zinc/64/19/60/676641960.db2.gz	BMGMMYDYLQLLBW-CFVMTHIKSA-N	1	0	358.508	1.001	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N2CC[C@H](NC(=O)NC3CC3)C2)CCCCC1	ZINC000329542186	676643436	/nfs/dbraw/zinc/64/34/36/676643436.db2.gz	XRLZYRSRKKPELJ-HNNXBMFYSA-N	1	0	351.495	1.905	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)N[C@H](CO)C3CCCC3)CC2)CC1	ZINC000329542743	676643530	/nfs/dbraw/zinc/64/35/30/676643530.db2.gz	DZFAMFWBEOKISE-GOSISDBHSA-N	1	0	352.523	1.600	20	30		FDEDRO
O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCOCC2(CCC2)C1	ZINC000329581401	676645056	/nfs/dbraw/zinc/64/50/56/676645056.db2.gz	PYEOSYXJYRBXAA-INIZCTEOSA-N	1	0	351.491	1.904	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)[C@H](C)C1	ZINC000329585851	676645186	/nfs/dbraw/zinc/64/51/86/676645186.db2.gz	YFBGFJQITAZRBK-HMDCTGQHSA-N	1	0	351.491	1.635	20	30		FDEDRO
CS(=O)(=O)[C@H]1CCCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1	ZINC000329602333	676645817	/nfs/dbraw/zinc/64/58/17/676645817.db2.gz	KWNPHBWOIMFXMA-HNNXBMFYSA-N	1	0	373.519	1.054	20	30		FDEDRO
Cc1nnc([C@H](C)NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)s1	ZINC000329783096	676655804	/nfs/dbraw/zinc/65/58/04/676655804.db2.gz	OFLSPSCXEACCSR-LBPRGKRZSA-N	1	0	353.492	1.866	20	30		FDEDRO
O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCS(=O)(=O)C2(CCCCC2)C1	ZINC000329786429	676656270	/nfs/dbraw/zinc/65/62/70/676656270.db2.gz	XXJRCMZBLCKJOP-OAHLLOKOSA-N	1	0	369.531	1.818	20	30		FDEDRO
C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC1CCN(C(=O)C2CC2)CC1	ZINC000329800928	676657300	/nfs/dbraw/zinc/65/73/00/676657300.db2.gz	YMATUFYTYZZPGF-CQSZACIVSA-N	1	0	350.507	1.964	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)C12CCOCC2	ZINC000329953432	676665416	/nfs/dbraw/zinc/66/54/16/676665416.db2.gz	JIHPGDGBRPVLGP-HRCADAONSA-N	1	0	355.479	1.137	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@@]2(CNC(=O)C2)C1	ZINC000329990323	676667743	/nfs/dbraw/zinc/66/77/43/676667743.db2.gz	WBXITCASLPTACI-CRAIPNDOSA-N	1	0	351.495	1.369	20	30		FDEDRO
O=C(NCc1ccc(CN2CCOCC2)cc1)N[C@H]1CC[S@@](=O)C1	ZINC000330034135	676669363	/nfs/dbraw/zinc/66/93/63/676669363.db2.gz	WEBLGCQWZJTSDD-FYSMJZIKSA-N	1	0	351.472	1.043	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)N2CCN(C(=O)C(C)(C)C)CC2)CCSC1	ZINC000330055656	676670616	/nfs/dbraw/zinc/67/06/16/676670616.db2.gz	URWQTVSFMAHLDZ-KRWDZBQOSA-N	1	0	356.536	1.528	20	30		FDEDRO
C[NH+]1CCC(C)(CNC(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)CC1	ZINC000330086421	676671948	/nfs/dbraw/zinc/67/19/48/676671948.db2.gz	SCBODUWDUIULAI-ZDUSSCGKSA-N	1	0	369.491	1.301	20	30		FDEDRO
C[C@H](C(=O)NC[C@@]1([NH+](C)C)CCSC1)N1C(=O)NC2(CCCC2)C1=O	ZINC000330106829	676672754	/nfs/dbraw/zinc/67/27/54/676672754.db2.gz	LIWAYEDDVUCUBC-WBMJQRKESA-N	1	0	368.503	1.838	20	30		FDEDRO
C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1	ZINC000330186775	676677357	/nfs/dbraw/zinc/67/73/57/676677357.db2.gz	SHXFOCULHNPLPY-XUWVNRHRSA-N	1	0	374.551	1.233	20	30		FDEDRO
C[N@@H+]1CC[C@]2(CCN(C(=O)N[C@@H]3CCCN(CC(F)(F)F)C3=O)C2)C1	ZINC000330205053	676678270	/nfs/dbraw/zinc/67/82/70/676678270.db2.gz	DCDYODFQJLFALZ-DOMZBBRYSA-N	1	0	362.396	1.481	20	30		FDEDRO
C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@H]1CCCCS1(=O)=O	ZINC000330236776	676680133	/nfs/dbraw/zinc/68/01/33/676680133.db2.gz	UMVNWUXAPYKIIW-GOEBONIOSA-N	1	0	373.519	1.053	20	30		FDEDRO
C[N@H+]1CC=C(CNC(=O)NC2CCN(S(=O)(=O)C(C)(C)C)CC2)CC1	ZINC000330252291	676680989	/nfs/dbraw/zinc/68/09/89/676680989.db2.gz	IHHAKKCFPLFLNL-UHFFFAOYSA-N	1	0	372.535	1.345	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)C1	ZINC000330335487	676684514	/nfs/dbraw/zinc/68/45/14/676684514.db2.gz	RPGZJIPHZXYNGY-CVEARBPZSA-N	1	0	372.535	1.132	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1	ZINC000330382026	676687694	/nfs/dbraw/zinc/68/76/94/676687694.db2.gz	IUHCGVITCLIDQO-WBVHZDCISA-N	1	0	356.536	1.957	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc([S@](C)=O)c(F)c2)[C@H](C)C1	ZINC000330551785	676696506	/nfs/dbraw/zinc/69/65/06/676696506.db2.gz	NFPAWQGDDHNNPD-BWJFDKCMSA-N	1	0	357.451	1.496	20	30		FDEDRO
CS[C@@H]1CN(C(=O)[C@H](NC(=O)c2ccccn2)C(C)C)C[C@H]1[NH+](C)C	ZINC000330648059	676699529	/nfs/dbraw/zinc/69/95/29/676699529.db2.gz	HUHNWNLUAKEXPQ-BZUAXINKSA-N	1	0	364.515	1.915	20	30		FDEDRO
C[C@H](CNC(=O)N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)[NH+]1CCC(C)CC1	ZINC000330718609	676701866	/nfs/dbraw/zinc/70/18/66/676701866.db2.gz	DLYMYDXBQJIDOG-OAGGEKHMSA-N	1	0	374.551	1.471	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(S(N)(=O)=O)c(F)c1	ZINC000331033269	676714515	/nfs/dbraw/zinc/71/45/15/676714515.db2.gz	JEVNYFJJIZKDEQ-VXGBXAGGSA-N	1	0	357.451	1.898	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(S(C)(=O)=O)nc2)C[C@H]1C	ZINC000331144231	676718564	/nfs/dbraw/zinc/71/85/64/676718564.db2.gz	GHEMSLXAXHQROJ-OCCSQVGLSA-N	1	0	354.476	1.835	20	30		FDEDRO
CN(Cc1ccc([S@@](C)=O)cc1)C(=O)NC[C@@H]1C[N@H+](C)CCN1C	ZINC000331171917	676719970	/nfs/dbraw/zinc/71/99/70/676719970.db2.gz	UOTCHCBLOBLPGO-OYLFLEFRSA-N	1	0	352.504	1.016	20	30		FDEDRO
C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCc2cccc(NS(C)(=O)=O)c2)C1	ZINC000331187036	676720798	/nfs/dbraw/zinc/72/07/98/676720798.db2.gz	ZCRCAECVSTZXNH-GOEBONIOSA-N	1	0	368.503	1.935	20	30		FDEDRO
C[C@H]1C[C@H](N(C)C(=O)Nc2ccccc2S(=O)(=O)N(C)C)CC[N@@H+]1C	ZINC000331253262	676724102	/nfs/dbraw/zinc/72/41/02/676724102.db2.gz	REZMBJGVTOYRDP-UONOGXRCSA-N	1	0	368.503	1.897	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](O)CC(C)(C)C2)CC1	ZINC000332383624	676741068	/nfs/dbraw/zinc/74/10/68/676741068.db2.gz	YFMXBAZOCLLOJL-IRXDYDNUSA-N	1	0	350.507	1.162	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+](CC2CCOCC2)CC1	ZINC000333510918	676769788	/nfs/dbraw/zinc/76/97/88/676769788.db2.gz	XQJYAGUCBGUUTR-ROUUACIJSA-N	1	0	351.491	1.721	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH+]1CCC(C(=O)Nc2nc(C)cs2)CC1	ZINC000362101939	676908571	/nfs/dbraw/zinc/90/85/71/676908571.db2.gz	HBGHNSYARYJNTI-UHFFFAOYSA-N	1	0	363.487	1.864	20	30		FDEDRO
COCCC[N@@H+]1CCCN(S(=O)(=O)c2cc(C#N)ccc2C)CC1	ZINC000365259415	677355989	/nfs/dbraw/zinc/35/59/89/677355989.db2.gz	YAWPNNTUQBRCJH-UHFFFAOYSA-N	1	0	351.472	1.600	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1	ZINC000366317838	677432874	/nfs/dbraw/zinc/43/28/74/677432874.db2.gz	UGQVRKIYQFXNGS-FZMZJTMJSA-N	1	0	370.272	1.693	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CC23CC[NH2+]CC3)ccc1F	ZINC000366551972	677450275	/nfs/dbraw/zinc/45/02/75/677450275.db2.gz	AVQPKDFCFMTAQA-HNNXBMFYSA-N	1	0	367.446	1.162	20	30		FDEDRO
C#CCOc1ccccc1CN1CCCN(S(=O)(=O)N(C)C)CC1	ZINC000367973246	677497189	/nfs/dbraw/zinc/49/71/89/677497189.db2.gz	OOGYMAOVOKETTB-UHFFFAOYSA-N	1	0	351.472	1.013	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NCC1CCN(c2cc[nH+]cc2)CC1	ZINC000369115686	677503270	/nfs/dbraw/zinc/50/32/70/677503270.db2.gz	JKZFOIFBBDAFNC-CQSZACIVSA-N	1	0	351.476	1.224	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1C(F)(F)F	ZINC000370674590	677603958	/nfs/dbraw/zinc/60/39/58/677603958.db2.gz	WUQYXYOYYUZYCC-ZYHUDNBSSA-N	1	0	359.373	1.807	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CN3CCCC[C@H]3CO2)CC1	ZINC000371287745	677658210	/nfs/dbraw/zinc/65/82/10/677658210.db2.gz	SJDDFSAGOISLTF-ZWKOTPCHSA-N	1	0	350.507	1.579	20	30		FDEDRO
Cc1n[nH]cc1-c1nnc(NC(=O)N(CCC#N)CCC[NH+](C)C)s1	ZINC000372517381	677929860	/nfs/dbraw/zinc/92/98/60/677929860.db2.gz	NILJUULANHZIOX-UHFFFAOYSA-N	1	0	362.463	1.936	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccc(Cl)c1	ZINC000373180738	678041906	/nfs/dbraw/zinc/04/19/06/678041906.db2.gz	WEPLAUUQBJJITL-RHSMWYFYSA-N	1	0	364.877	1.934	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)NC1CC[NH+](C2CCCCC2)CC1	ZINC000374456916	678082225	/nfs/dbraw/zinc/08/22/25/678082225.db2.gz	QOOAXUYSKJKGJO-UHFFFAOYSA-N	1	0	372.535	1.480	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]C[C@@]1(N2CCOCC2)CCCOC1	ZINC000378155761	678706232	/nfs/dbraw/zinc/70/62/32/678706232.db2.gz	SKZXDSVTNJLYQG-MJGOQNOKSA-N	1	0	353.507	1.271	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NCc1ccc(C[NH+]2CCCC2)cc1	ZINC000409538337	678856136	/nfs/dbraw/zinc/85/61/36/678856136.db2.gz	SFJMWGSDNJTRNC-OAHLLOKOSA-N	1	0	350.488	1.708	20	30		FDEDRO
CC[NH+](CC)[C@@H](CNS(=O)(=O)N(C)C[C@@H](C)C#N)Cc1ccccc1	ZINC000409561060	678859953	/nfs/dbraw/zinc/85/99/53/678859953.db2.gz	IVNCMPWBSDEXBK-FUHWJXTLSA-N	1	0	366.531	1.865	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N(CC[NH+](C)C)Cc1ccccc1F	ZINC000409564742	678861143	/nfs/dbraw/zinc/86/11/43/678861143.db2.gz	CIMUAHBBLKUZCH-HNNXBMFYSA-N	1	0	370.494	1.916	20	30		FDEDRO
COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CCCC2(C#N)CCOCC2)C1	ZINC000410333757	678889930	/nfs/dbraw/zinc/88/99/30/678889930.db2.gz	RBNKGXINNKWZKU-IRXDYDNUSA-N	1	0	351.491	1.950	20	30		FDEDRO
COCCCNC(=O)C1CC[NH+](CCCC2(C#N)CCOCC2)CC1	ZINC000410332355	678889971	/nfs/dbraw/zinc/88/99/71/678889971.db2.gz	JKHQGNGZEIQXSE-UHFFFAOYSA-N	1	0	351.491	1.952	20	30		FDEDRO
CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1CCCC1(C#N)CCOCC1	ZINC000410324125	678890148	/nfs/dbraw/zinc/89/01/48/678890148.db2.gz	AAPOHFGYALOENP-INIZCTEOSA-N	1	0	357.520	1.881	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1	ZINC000410430712	678896484	/nfs/dbraw/zinc/89/64/84/678896484.db2.gz	FZYJCDORCRKYBC-IRXDYDNUSA-N	1	0	350.507	1.038	20	30		FDEDRO
CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)[C@H]([NH3+])CCCC#N)cc1	ZINC000424100500	680829749	/nfs/dbraw/zinc/82/97/49/680829749.db2.gz	HVSIRUIBWRWIPM-MRXNPFEDSA-N	1	0	366.487	1.353	20	30		FDEDRO
C=CCCn1cc(C(=O)N(Cc2scnc2C)C[C@@H]2CC[NH2+]C2)nn1	ZINC000424164334	680831025	/nfs/dbraw/zinc/83/10/25/680831025.db2.gz	WRDFGBNPDOORLD-CQSZACIVSA-N	1	0	360.487	1.871	20	30		FDEDRO
COC(=O)CCN(Cc1cccc(F)c1F)C(=O)[C@@H]([NH3+])CCCC#N	ZINC000424183043	680831348	/nfs/dbraw/zinc/83/13/48/680831348.db2.gz	UZFDLAAASNYIMA-AWEZNQCLSA-N	1	0	353.369	1.878	20	30		FDEDRO
C=CCn1c(SC[C@H](O)CN(C)CCC#N)nc2sccc2c1=O	ZINC000414096990	679330345	/nfs/dbraw/zinc/33/03/45/679330345.db2.gz	MNNFTFLKRGJDOU-GFCCVEGCSA-N	1	0	364.496	1.942	20	30		FDEDRO
Cc1sc2nc(SC[C@H](O)CN(C)CCC#N)n(C)c(=O)c2c1C	ZINC000414097022	679330399	/nfs/dbraw/zinc/33/03/99/679330399.db2.gz	MTRGOPGTUVPJOJ-GFCCVEGCSA-N	1	0	366.512	1.910	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1	ZINC000414886727	679372510	/nfs/dbraw/zinc/37/25/10/679372510.db2.gz	CVEZLMNZYPDPSU-ZFWWWQNUSA-N	1	0	366.487	1.885	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1	ZINC000414895350	679373125	/nfs/dbraw/zinc/37/31/25/679373125.db2.gz	NEGYSZBTAYIRBZ-CZUORRHYSA-N	1	0	366.487	1.613	20	30		FDEDRO
Cc1sc(NC(=O)CN2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)c(C#N)c1C	ZINC000419344596	680240928	/nfs/dbraw/zinc/24/09/28/680240928.db2.gz	SDBKEGOVRJDUGH-RYUDHWBXSA-N	1	0	350.488	1.562	20	30		FDEDRO
C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)CC[NH2+]1	ZINC000420430782	680447015	/nfs/dbraw/zinc/44/70/15/680447015.db2.gz	DTTCBPUAJINHIR-MWLCHTKSSA-N	1	0	358.261	1.740	20	30		FDEDRO
C[C@H]1[NH2+]CCN(S(=O)(=O)c2cccc(Br)c2C#N)[C@H]1C	ZINC000420438949	680451574	/nfs/dbraw/zinc/45/15/74/680451574.db2.gz	WEIKGMWOXABHSR-ZJUUUORDSA-N	1	0	358.261	1.692	20	30		FDEDRO
CNC(=O)[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1	ZINC000420968392	680581574	/nfs/dbraw/zinc/58/15/74/680581574.db2.gz	BRUVXTDRDIEKEC-CQSZACIVSA-N	1	0	362.861	1.963	20	30		FDEDRO
Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1	ZINC000421336891	680654648	/nfs/dbraw/zinc/65/46/48/680654648.db2.gz	BGBNMVOSSNTNPM-UHFFFAOYSA-N	1	0	370.431	1.236	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H]1CCN(C)C(=O)C1)C(C)C	ZINC000425590848	680911815	/nfs/dbraw/zinc/91/18/15/680911815.db2.gz	XLNGOMDEWLCPTC-DLBZAZTESA-N	1	0	350.507	1.853	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1	ZINC000430391341	681074861	/nfs/dbraw/zinc/07/48/61/681074861.db2.gz	ZBYMLUUHTOEVCJ-VQHPVUNQSA-N	1	0	351.491	1.320	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1	ZINC000431643713	681130451	/nfs/dbraw/zinc/13/04/51/681130451.db2.gz	CRAOTSUEDUOHGR-HOTGVXAUSA-N	1	0	351.476	1.096	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNS(=O)(=O)CC2(C#N)CCCCC2)CCCO1	ZINC000432335867	681153567	/nfs/dbraw/zinc/15/35/67/681153567.db2.gz	MVOCOXMJMQZRLN-INIZCTEOSA-N	1	0	357.520	1.881	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)c1	ZINC000440086035	681968462	/nfs/dbraw/zinc/96/84/62/681968462.db2.gz	DBUDLKDZMXALLF-MRXNPFEDSA-N	1	0	365.499	1.754	20	30		FDEDRO
N#Cc1ccc(N2C[C@@H](C(=O)NCC[NH+]3CCCC3)CC2=O)cc1Cl	ZINC000448602897	682624939	/nfs/dbraw/zinc/62/49/39/682624939.db2.gz	CCKJRUBYVKTQKV-AWEZNQCLSA-N	1	0	360.845	1.777	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CCC(=O)OCC)C[C@@H]1CCC[N@@H+]1CC	ZINC000448794067	682637438	/nfs/dbraw/zinc/63/74/38/682637438.db2.gz	AQZNBOYNUGGGPC-BBWFWOEESA-N	1	0	352.475	1.844	20	30		FDEDRO
C[N@H+](CCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C1CC1	ZINC000448800758	682638191	/nfs/dbraw/zinc/63/81/91/682638191.db2.gz	ZFAVGCKCPGWGSR-CYBMUJFWSA-N	1	0	360.845	1.775	20	30		FDEDRO
C[C@H](CO)[C@H](C)[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000450741619	682777669	/nfs/dbraw/zinc/77/76/69/682777669.db2.gz	ZXWRQDGSGQJIOM-QLFBSQMISA-N	1	0	350.488	1.063	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)CC2(CC#N)CC2)[C@@H](C)C1	ZINC000451207058	682840410	/nfs/dbraw/zinc/84/04/10/682840410.db2.gz	ITBJXFITZUVREG-HOTGVXAUSA-N	1	0	357.520	1.737	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1	ZINC000451936496	682974082	/nfs/dbraw/zinc/97/40/82/682974082.db2.gz	XXHHPSPHJKLIQL-MQVJKMGUSA-N	1	0	363.483	1.506	20	30		FDEDRO
C=CCC[C@H](CO)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000453363174	683160500	/nfs/dbraw/zinc/16/05/00/683160500.db2.gz	QMIUXSITQQWDAO-DOTOQJQBSA-N	1	0	368.499	1.685	20	30		FDEDRO
CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000453665930	683180545	/nfs/dbraw/zinc/18/05/45/683180545.db2.gz	KEZBKONVOHTCLC-CYBMUJFWSA-N	1	0	363.849	1.878	20	30		FDEDRO
CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000453700923	683190186	/nfs/dbraw/zinc/19/01/86/683190186.db2.gz	BCPRHCNJWFRNRV-STQMWFEESA-N	1	0	361.833	1.630	20	30		FDEDRO
C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000455764094	683496950	/nfs/dbraw/zinc/49/69/50/683496950.db2.gz	QNCJCJPNAJAEFH-LBPRGKRZSA-N	1	0	350.854	1.754	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1	ZINC000457092285	683715451	/nfs/dbraw/zinc/71/54/51/683715451.db2.gz	WZAGWVATRJAUAN-INIZCTEOSA-N	1	0	365.499	1.706	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN(C(C)=O)C[C@@H]1C)C(C)C	ZINC000479453228	686023258	/nfs/dbraw/zinc/02/32/58/686023258.db2.gz	JDRORTPFRFOUBH-WMZOPIPTSA-N	1	0	350.507	1.947	20	30		FDEDRO
C=C[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1	ZINC000489433387	687098490	/nfs/dbraw/zinc/09/84/90/687098490.db2.gz	UCFZKZIAHRDVNI-MRXNPFEDSA-N	1	0	350.507	1.086	20	30		FDEDRO
CC[NH+]1CCN(CC(=O)N[C@H](C#N)c2cccc(Br)c2)CC1	ZINC000496262953	687646624	/nfs/dbraw/zinc/64/66/24/687646624.db2.gz	MTZBEJRYELXDDB-OAHLLOKOSA-N	1	0	365.275	1.767	20	30		FDEDRO
CC[NH+]1CCN(CC(=O)N[C@@H](C#N)c2cccc(Br)c2)CC1	ZINC000496262950	687646778	/nfs/dbraw/zinc/64/67/78/687646778.db2.gz	MTZBEJRYELXDDB-HNNXBMFYSA-N	1	0	365.275	1.767	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCC[C@H]1C(=O)NC)C(C)C	ZINC000498537878	687805678	/nfs/dbraw/zinc/80/56/78/687805678.db2.gz	AHQLDMFIPYGKKQ-IXDOHACOSA-N	1	0	350.507	1.899	20	30		FDEDRO
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCCC[NH+]1CCOCC1	ZINC000505781270	688529281	/nfs/dbraw/zinc/52/92/81/688529281.db2.gz	IMFGJJLYEQZLBA-SFHVURJKSA-N	1	0	353.463	1.477	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1	ZINC000505955037	688542084	/nfs/dbraw/zinc/54/20/84/688542084.db2.gz	ZJNVOCDSDXNKTF-SFHVURJKSA-N	1	0	353.463	1.475	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1	ZINC000510953681	689442035	/nfs/dbraw/zinc/44/20/35/689442035.db2.gz	RJEMIKXPOYVDEY-CHWSQXEVSA-N	1	0	362.396	1.528	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCOc2ccc(Cl)cn2)nc1	ZINC000515054694	689807048	/nfs/dbraw/zinc/80/70/48/689807048.db2.gz	MDIOXAJSWCDONK-UHFFFAOYSA-N	1	0	366.830	1.444	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)c1	ZINC000515729689	689890023	/nfs/dbraw/zinc/89/00/23/689890023.db2.gz	STGCWQSXVIRNBL-UHFFFAOYSA-N	1	0	353.488	1.469	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2nc(SC)ncc2Cl)c1C#N	ZINC000516151109	689922516	/nfs/dbraw/zinc/92/25/16/689922516.db2.gz	QWMVZWBGXVGBGW-UHFFFAOYSA-N	1	0	365.850	1.851	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1C(F)(F)F	ZINC000516768989	689988364	/nfs/dbraw/zinc/98/83/64/689988364.db2.gz	KYJMTMTWMQACAA-RYUDHWBXSA-N	1	0	359.373	1.807	20	30		FDEDRO
CN1CC[NH2+]C[C@@H]1CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000517224739	690046695	/nfs/dbraw/zinc/04/66/95/690046695.db2.gz	PVRXAMWOCKGBLM-OAHLLOKOSA-N	1	0	354.376	1.260	20	30		FDEDRO
CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000519062567	690182133	/nfs/dbraw/zinc/18/21/33/690182133.db2.gz	WKDYGVLGPDBYRG-AWEZNQCLSA-N	1	0	366.487	1.339	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]Cc2cnn(CC(F)(F)F)c2)cc1	ZINC000519819628	690275458	/nfs/dbraw/zinc/27/54/58/690275458.db2.gz	MDNKUCSZPBWSIA-CQSZACIVSA-N	1	0	354.332	1.847	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1Br	ZINC000519822030	690276342	/nfs/dbraw/zinc/27/63/42/690276342.db2.gz	DXYHVUBVGHRCFH-LBPRGKRZSA-N	1	0	370.272	1.836	20	30		FDEDRO
CC(C)[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3cccc(C#N)c3)C2)CC1	ZINC000531837666	694852210	/nfs/dbraw/zinc/85/22/10/694852210.db2.gz	ZRRWXAWCOWSNIV-KRWDZBQOSA-N	1	0	362.499	1.347	20	30		FDEDRO
O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCC[N@H+]1CC[C@H](O)C1	ZINC000636518483	695163750	/nfs/dbraw/zinc/16/37/50/695163750.db2.gz	SEEAIHPNNOYDGI-HNNXBMFYSA-N	1	0	355.360	1.423	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2cnc(C)s2)CC1	ZINC000636677630	695195724	/nfs/dbraw/zinc/19/57/24/695195724.db2.gz	VXNLUHSOKIAJHY-GFCCVEGCSA-N	1	0	350.488	1.785	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)n1cc(C[C@@H]([NH3+])COC)nn1	ZINC000640928931	695645597	/nfs/dbraw/zinc/64/55/97/695645597.db2.gz	ISVGDKQYCVLTIF-ZIAGYGMSSA-N	1	0	363.487	1.632	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1NCCN1CC[NH+](CC)CC1	ZINC000641285128	696030799	/nfs/dbraw/zinc/03/07/99/696030799.db2.gz	VYQHTFARWVAQEH-UHFFFAOYSA-N	1	0	352.504	1.200	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1N[C@H](C)CN1CC[NH+](C)CC1	ZINC000641363288	696069738	/nfs/dbraw/zinc/06/97/38/696069738.db2.gz	WCGBKXYPAXPILK-OAHLLOKOSA-N	1	0	352.504	1.199	20	30		FDEDRO
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccc(Cl)nc1C#N	ZINC001164616714	719014198	/nfs/dbraw/zinc/01/41/98/719014198.db2.gz	LKQMCEVBMLFRDO-XDTLVQLUSA-N	1	0	370.787	1.881	20	30		FDEDRO
COc1nc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)c(F)cc1C#N	ZINC001164679424	719636289	/nfs/dbraw/zinc/63/62/89/719636289.db2.gz	AFOYKJWHQABVHL-UHFFFAOYSA-N	1	0	358.421	1.773	20	30		FDEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(c1nc3c(cc1C#N)COCC3)CC2	ZINC001164690237	719750862	/nfs/dbraw/zinc/75/08/62/719750862.db2.gz	WLTVYJQBBZFUFS-UHFFFAOYSA-N	1	0	369.469	1.207	20	30		FDEDRO
Cc1nc(C#N)cc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1	ZINC001164815098	720245441	/nfs/dbraw/zinc/24/54/41/720245441.db2.gz	AAKAERMWCXQKPC-UHFFFAOYSA-N	1	0	367.457	1.464	20	30		FDEDRO
N#Cc1ncc(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164739100	720648936	/nfs/dbraw/zinc/64/89/36/720648936.db2.gz	FDGILDXVSUDBRB-NWDGAFQWSA-N	1	0	357.805	1.134	20	30		FDEDRO
N#Cc1cc2c(nc1N1CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C1)CCC2	ZINC001164737466	720763331	/nfs/dbraw/zinc/76/33/31/720763331.db2.gz	BUCKEARJBLOHBB-DLBZAZTESA-N	1	0	362.437	1.574	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc(C)c3C#N)CC[C@H]2C1	ZINC001164856721	720856740	/nfs/dbraw/zinc/85/67/40/720856740.db2.gz	PBSWFJCRMRJGKY-DZGCQCFKSA-N	1	0	365.865	1.484	20	30		FDEDRO
COc1nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)ncc1C#N	ZINC001164858661	720938844	/nfs/dbraw/zinc/93/88/44/720938844.db2.gz	JSSYZCJEEQYHEM-ZDUSSCGKSA-N	1	0	355.446	1.975	20	30		FDEDRO
Cc1ccc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)nc1C#N	ZINC001164748717	720954009	/nfs/dbraw/zinc/95/40/09/720954009.db2.gz	CLMLBYIXZPXPRQ-UHFFFAOYSA-N	1	0	354.414	1.104	20	30		FDEDRO
N#Cc1ncc(Cl)nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164867778	721063561	/nfs/dbraw/zinc/06/35/61/721063561.db2.gz	KJZICAAVOMEHTQ-CABCVRRESA-N	1	0	370.844	1.876	20	30		FDEDRO
COc1nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c(F)cc1C#N	ZINC001164763241	721188420	/nfs/dbraw/zinc/18/84/20/721188420.db2.gz	DXQFUQKHDSOXDJ-GOEBONIOSA-N	1	0	370.432	1.793	20	30		FDEDRO
Cc1cnc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c(C#N)n1	ZINC001164896215	721429459	/nfs/dbraw/zinc/42/94/59/721429459.db2.gz	REMCBKOFOZOTPA-YLJYHZDGSA-N	1	0	370.501	1.422	20	30		FDEDRO
N#Cc1ncc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1C#N	ZINC001164904269	721557339	/nfs/dbraw/zinc/55/73/39/721557339.db2.gz	DRXGCRNILFQDOR-GOEBONIOSA-N	1	0	364.384	1.701	20	30		FDEDRO
Cc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(C#N)n1	ZINC001164983842	722136159	/nfs/dbraw/zinc/13/61/59/722136159.db2.gz	VOGGJKFVEDAIOK-PKOBYXMFSA-N	1	0	364.453	1.779	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1	ZINC001164999544	722251526	/nfs/dbraw/zinc/25/15/26/722251526.db2.gz	BDQKESMICUWWKO-UHFFFAOYSA-N	1	0	354.458	1.947	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCc2cncc(C)c2)C[C@H]1C	ZINC001104405824	782355968	/nfs/dbraw/zinc/35/59/68/782355968.db2.gz	ONIMBNZIWAKMAN-IEBWSBKVSA-N	1	0	370.497	1.146	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)COCc2ncc(C)o2)C[C@H]1C	ZINC001104407695	782388842	/nfs/dbraw/zinc/38/88/42/782388842.db2.gz	DKSGTOCMNVTLIZ-NVXWUHKLSA-N	1	0	365.474	1.776	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087206433	782438307	/nfs/dbraw/zinc/43/83/07/782438307.db2.gz	OMPTWASJLALTHH-PBHICJAKSA-N	1	0	365.437	1.672	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cnn(C4CCCC4)c3C)[C@H]2C1	ZINC001083244268	782564368	/nfs/dbraw/zinc/56/43/68/782564368.db2.gz	PSKVGSRNOVTWIG-RBUKOAKNSA-N	1	0	356.470	1.855	20	30		FDEDRO
Cn1nccc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC001020421271	769390883	/nfs/dbraw/zinc/39/08/83/769390883.db2.gz	JONMRNXSUAYCCI-QBPKDAKJSA-N	1	0	367.428	1.971	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)[C@H]1C	ZINC001020432964	769540674	/nfs/dbraw/zinc/54/06/74/769540674.db2.gz	GPTKPEFUWWCIAH-PNKHAZJDSA-N	1	0	359.514	1.872	20	30		FDEDRO
Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC001022734460	782769568	/nfs/dbraw/zinc/76/95/68/782769568.db2.gz	YJZUAXXPJMURIW-YYIAUSFCSA-N	1	0	367.428	1.971	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C)cn1	ZINC001020441537	769722885	/nfs/dbraw/zinc/72/28/85/769722885.db2.gz	ZUILOVOGGWJEKS-NONVJHHQSA-N	1	0	354.454	1.122	20	30		FDEDRO
Cc1oc2ccccc2c1CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C	ZINC001211497931	769907650	/nfs/dbraw/zinc/90/76/50/769907650.db2.gz	VAYZMDVSPHRDEP-CXAGYDPISA-N	1	0	368.437	1.360	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)CC[C@@]1(C)CCC(=O)N1	ZINC001211499952	769955796	/nfs/dbraw/zinc/95/57/96/769955796.db2.gz	XDRKTJTUSQETQA-FPDPHYFHSA-N	1	0	368.481	1.944	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc1C#N	ZINC000969397993	770083923	/nfs/dbraw/zinc/08/39/23/770083923.db2.gz	WOTWSUKCSWCVHW-UQZPWQSVSA-N	1	0	367.449	1.681	20	30		FDEDRO
CC#CCN1C[C@H]2OCCN(C(=O)c3cccc(-c4ncon4)c3)[C@H]2C1	ZINC001083190449	770232097	/nfs/dbraw/zinc/23/20/97/770232097.db2.gz	MCVOGKDSDOVPPK-DLBZAZTESA-N	1	0	352.394	1.285	20	30		FDEDRO
Cn1ccnc(N=NCc2c(Cl)cccc2N2CC[NH+](C)CC2)c1=O	ZINC000748079587	770324594	/nfs/dbraw/zinc/32/45/94/770324594.db2.gz	HTNXGLGEGFERPJ-UHFFFAOYSA-N	1	0	360.849	1.632	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)c2ccoc2)C[C@H]1C	ZINC001104227039	770448559	/nfs/dbraw/zinc/44/85/59/770448559.db2.gz	JUZLSMHXJUVESY-HZPDHXFCSA-N	1	0	363.458	1.286	20	30		FDEDRO
C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(Cc2ccc(C#N)c(F)c2)C1	ZINC000969705470	770695348	/nfs/dbraw/zinc/69/53/48/770695348.db2.gz	ZSGFJZCJDFYFAY-HBUWYVDXSA-N	1	0	358.461	1.974	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ncoc2C)C[C@H]1c1ccccc1	ZINC001211545969	782872243	/nfs/dbraw/zinc/87/22/43/782872243.db2.gz	QDGDKGUOOITFBW-DLBZAZTESA-N	1	0	368.437	1.483	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ncnn2-c2ccccc2)C1	ZINC001020604648	770981728	/nfs/dbraw/zinc/98/17/28/770981728.db2.gz	IVFLQWOGUXGTCT-AHCXZYCDSA-N	1	0	367.453	1.595	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCCC[C@H]2CC)C1	ZINC001020605476	770987241	/nfs/dbraw/zinc/98/72/41/770987241.db2.gz	JVVCZEMNDOERLI-ZKXLYKBJSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1CCOC	ZINC000890662449	771005549	/nfs/dbraw/zinc/00/55/49/771005549.db2.gz	FMHXHEKZCLKYFD-HNNXBMFYSA-N	1	0	355.479	1.589	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ncnn2CCC)C1	ZINC001020716893	771289575	/nfs/dbraw/zinc/28/95/75/771289575.db2.gz	YQZJBAUXEZTVFQ-OVWQWFNUSA-N	1	0	361.490	1.796	20	30		FDEDRO
Cn1cc([C@@H]2C[C@H]2C(=O)NCCC[NH2+]Cc2cc(C#N)ccc2F)cn1	ZINC001167108147	771335110	/nfs/dbraw/zinc/33/51/10/771335110.db2.gz	GKJGJUIYEKDVRV-DLBZAZTESA-N	1	0	355.417	1.830	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCOCC)C1	ZINC001104245567	771775228	/nfs/dbraw/zinc/77/52/28/771775228.db2.gz	PTUVRHLIAZDFLE-IAGOWNOFSA-N	1	0	353.507	1.570	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(C[NH+](CC)CC)CC1	ZINC000430398561	771782691	/nfs/dbraw/zinc/78/26/91/771782691.db2.gz	YJIFAPYALXZKOC-ROUUACIJSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(Cc3ccc(OC)cc3)C[C@@H]21	ZINC001083198646	771825628	/nfs/dbraw/zinc/82/56/28/771825628.db2.gz	IXQBOBCIPGOGFX-FUMNGEBKSA-N	1	0	372.465	1.698	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(Cc3cncc(C)c3)C[C@@H]21	ZINC001083198836	771826474	/nfs/dbraw/zinc/82/64/74/771826474.db2.gz	SSYRCWQMUWITKL-YDZRNGNQSA-N	1	0	357.454	1.393	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)N(C)C(C)C)CC1	ZINC001167274177	771850251	/nfs/dbraw/zinc/85/02/51/771850251.db2.gz	KUAAWURQXGYNBO-CVEARBPZSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@@H]2O)CC1	ZINC000970335941	772387873	/nfs/dbraw/zinc/38/78/73/772387873.db2.gz	XTRZIHHDMABNBY-KSZLIROESA-N	1	0	363.502	1.295	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2cccnc2)CC1	ZINC001167295486	772427493	/nfs/dbraw/zinc/42/74/93/772427493.db2.gz	JRWATUOWWCFWAX-RYQLBKOJSA-N	1	0	370.497	1.752	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001087214111	783013898	/nfs/dbraw/zinc/01/38/98/783013898.db2.gz	GDAAZHSYHZZFRX-RNJTYBCJSA-N	1	0	354.454	1.396	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCC(F)(F)C2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104273959	772711845	/nfs/dbraw/zinc/71/18/45/772711845.db2.gz	BLTLOGOJWKWLIB-RBSFLKMASA-N	1	0	370.444	1.526	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)C4CC=CC4)[C@@H]3C2)CC1	ZINC001021274577	772714767	/nfs/dbraw/zinc/71/47/67/772714767.db2.gz	DBMGLCKIHWIUTP-RBUKOAKNSA-N	1	0	355.482	1.357	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC)CC(F)F)C[C@H]1C	ZINC001104279607	772755115	/nfs/dbraw/zinc/75/51/15/772755115.db2.gz	GXOUONNSIDXXEL-RBSFLKMASA-N	1	0	357.445	1.491	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NC)C1	ZINC001211549261	783040669	/nfs/dbraw/zinc/04/06/69/783040669.db2.gz	DNQAFKJEPPAWIG-RYQLBKOJSA-N	1	0	359.470	1.298	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C)C(C)(C)C1	ZINC000891008632	772816871	/nfs/dbraw/zinc/81/68/71/772816871.db2.gz	WPWQVZWTBOQHDO-UHFFFAOYSA-N	1	0	358.442	1.837	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(C3OCCO3)c2)c1C#N	ZINC000134104673	773387512	/nfs/dbraw/zinc/38/75/12/773387512.db2.gz	ZMYJTKSURFOLGP-UHFFFAOYSA-N	1	0	355.398	1.731	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1COCCN1CC(F)F)C2	ZINC001112493415	773797863	/nfs/dbraw/zinc/79/78/63/773797863.db2.gz	WCANHHQLNFKKJZ-BXWFABGCSA-N	1	0	371.472	1.747	20	30		FDEDRO
Cc1onc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1C#N	ZINC000891247950	774099987	/nfs/dbraw/zinc/09/99/87/774099987.db2.gz	IXTCGDMXEGQHSV-GOSISDBHSA-N	1	0	355.442	1.882	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1)[NH+]1CCCCC1	ZINC001021592510	774130166	/nfs/dbraw/zinc/13/01/66/774130166.db2.gz	FSSVJRGDRFMBRB-ZVDOUQERSA-N	1	0	371.525	1.970	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCn2cccn2)C1	ZINC001104306109	774439542	/nfs/dbraw/zinc/43/95/42/774439542.db2.gz	LEFMSVOKKKBTGX-QRVBRYPASA-N	1	0	357.502	1.055	20	30		FDEDRO
COC(=O)c1ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc1	ZINC000275919409	774517484	/nfs/dbraw/zinc/51/74/84/774517484.db2.gz	UHCZOGYCAMUFEB-UHFFFAOYSA-N	1	0	360.414	1.106	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)N[C@@H]3CCC(=O)NC3(C)C)ccn2)CC1	ZINC000328748232	774613433	/nfs/dbraw/zinc/61/34/33/774613433.db2.gz	POQVAZAQRLGIOE-OAHLLOKOSA-N	1	0	374.489	1.735	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1F	ZINC000275946610	774747414	/nfs/dbraw/zinc/74/74/14/774747414.db2.gz	YNEFAPJTFFNZKZ-IAGOWNOFSA-N	1	0	374.416	1.130	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1(C[NH2+]CCOCCOC)CC1	ZINC001167434967	774823687	/nfs/dbraw/zinc/82/36/87/774823687.db2.gz	BFBRNLCGWUKVTR-IRXDYDNUSA-N	1	0	354.491	1.507	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C(C)(C)CC)CC2)CC1	ZINC000656313002	774911337	/nfs/dbraw/zinc/91/13/37/774911337.db2.gz	ZWPXFVHRTCVNKV-UHFFFAOYSA-N	1	0	364.534	1.476	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1CC[NH2+]CC#Cc1ccccc1	ZINC001104320911	774931369	/nfs/dbraw/zinc/93/13/69/774931369.db2.gz	KKMDVUFXMAIGAH-RLLQIKCJSA-N	1	0	367.493	1.639	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cnc3cc[nH]c3c2)C[C@H]1C	ZINC001104337214	775788187	/nfs/dbraw/zinc/78/81/87/775788187.db2.gz	KXXSSCNRZZTOTD-HUUCEWRRSA-N	1	0	369.469	1.553	20	30		FDEDRO
CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2ccc(C#N)[nH]2)C1=O	ZINC001087150877	775993920	/nfs/dbraw/zinc/99/39/20/775993920.db2.gz	OIOIQGYYTJJMGE-VNQPRFMTSA-N	1	0	357.458	1.337	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2COCCN2C)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087152542	776089778	/nfs/dbraw/zinc/08/97/78/776089778.db2.gz	HUBCOOOPXWQVSD-UXPWSPDFSA-N	1	0	370.497	1.606	20	30		FDEDRO
C=CCn1cc(C(=O)N2CCO[C@@H]3C[N@H+](CCC4CCCC4)C[C@@H]32)nn1	ZINC001083217736	776592340	/nfs/dbraw/zinc/59/23/40/776592340.db2.gz	MLAJPAUXOQJAHN-ZWKOTPCHSA-N	1	0	359.474	1.570	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]21	ZINC001021939263	776749161	/nfs/dbraw/zinc/74/91/61/776749161.db2.gz	GIORKTHIMILGGT-XYJFISCASA-N	1	0	356.470	1.299	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@H]21	ZINC001021939685	776751849	/nfs/dbraw/zinc/75/18/49/776751849.db2.gz	PEDHYJLFWOLYHG-YQVWRLOYSA-N	1	0	370.497	1.831	20	30		FDEDRO
CN(C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[C@@H]1CCC[N@H+](C)C1	ZINC000892713752	790486821	/nfs/dbraw/zinc/48/68/21/790486821.db2.gz	YLBMDSKZCYNZDU-QGZVFWFLSA-N	1	0	356.474	1.658	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCc2nnc3n2CCCCC3)C1	ZINC000328792014	776889500	/nfs/dbraw/zinc/88/95/00/776889500.db2.gz	RFQNXJKGUPBSNT-HNNXBMFYSA-N	1	0	364.494	1.365	20	30		FDEDRO
C=C(C)C[C@@H](CO)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1	ZINC000891412362	776935936	/nfs/dbraw/zinc/93/59/36/776935936.db2.gz	KMTYQWWERJFBED-SFHVURJKSA-N	1	0	359.470	1.707	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(F)F)C[C@H]1c1ccccc1	ZINC001211515008	776942035	/nfs/dbraw/zinc/94/20/35/776942035.db2.gz	JSSDPJQTNFHEDQ-CWRNSKLLSA-N	1	0	363.408	1.364	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2cn[nH]n2)C1	ZINC001075422093	777252539	/nfs/dbraw/zinc/25/25/39/777252539.db2.gz	KPRZEKMIHHIQMN-NVXWUHKLSA-N	1	0	355.417	1.803	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CCO[C@@H]3C[N@@H+](CC(CC)CC)C[C@@H]32)nn1	ZINC001083220020	777277017	/nfs/dbraw/zinc/27/70/17/777277017.db2.gz	ZBUHVTGUJCVCLT-ZWKOTPCHSA-N	1	0	361.490	1.816	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC=C)C2)cc1	ZINC001112505989	777467971	/nfs/dbraw/zinc/46/79/71/777467971.db2.gz	UABNHOOQQZCIJS-UGKGYDQZSA-N	1	0	365.477	1.802	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2c(C)nnn2CC)C1	ZINC000971555450	777594103	/nfs/dbraw/zinc/59/41/03/777594103.db2.gz	GCHARBUWKZXNSI-NUJGCVRESA-N	1	0	361.490	1.620	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)N2CCCCC2)C1	ZINC001022101747	777930891	/nfs/dbraw/zinc/93/08/91/777930891.db2.gz	QYXHQBBXJRWPKG-AVEIZBFRSA-N	1	0	363.502	1.605	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C#CC2CC2)[C@H](C[NH2+][C@@H]2CCN(C3CCC3)C2=O)C1	ZINC001087164844	778107075	/nfs/dbraw/zinc/10/70/75/778107075.db2.gz	RVMPAILODNRTMC-AYOQOUSVSA-N	1	0	357.498	1.770	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)C1CCN(c2oc(C)nc2C#N)CC1	ZINC000276656313	778429869	/nfs/dbraw/zinc/42/98/69/778429869.db2.gz	XHMIURCUXFKFIJ-UHFFFAOYSA-N	1	0	363.462	1.156	20	30		FDEDRO
CCC[NH+]1CCC(CNC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)CC1	ZINC000477648875	778490365	/nfs/dbraw/zinc/49/03/65/778490365.db2.gz	BRCRPIGIZMJOFP-UHFFFAOYSA-N	1	0	356.470	1.755	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CCOC[C@@H]2CCCO2)C[C@H]1C	ZINC001104376928	778691859	/nfs/dbraw/zinc/69/18/59/778691859.db2.gz	ZJLRCDLTXZRQMO-QRVBRYPASA-N	1	0	368.518	1.849	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccn3nnnc3c1)C2	ZINC001112506983	778742292	/nfs/dbraw/zinc/74/22/92/778742292.db2.gz	QDYKCFZJKHSTPH-LPHOPBHVSA-N	1	0	370.457	1.159	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(F)ccc3C#N)C2)O1	ZINC001022276809	779086818	/nfs/dbraw/zinc/08/68/18/779086818.db2.gz	QBWHLXMAOKYUJS-GQAVTEOGSA-N	1	0	360.433	1.153	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)O1	ZINC001022277115	779087937	/nfs/dbraw/zinc/08/79/37/779087937.db2.gz	WDMRAUCAFVUTEC-GMLZMKKNSA-N	1	0	360.433	1.153	20	30		FDEDRO
C[C@@H]1CCN(C(=O)Cn2nccn2)[C@H](C[NH2+]Cc2cc(F)ccc2C#N)C1	ZINC001087171406	779174371	/nfs/dbraw/zinc/17/43/71/779174371.db2.gz	LVNWUTPVMNZIOD-KDOFPFPSSA-N	1	0	370.432	1.706	20	30		FDEDRO
CN(C(=O)NC[C@H]1COCCO1)C1CC[NH+](CCc2ccccn2)CC1	ZINC000328883514	779237042	/nfs/dbraw/zinc/23/70/42/779237042.db2.gz	XWZFUPMKCLMONJ-SFHVURJKSA-N	1	0	362.474	1.350	20	30		FDEDRO
C#CCN(C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1	ZINC000891748023	779251597	/nfs/dbraw/zinc/25/15/97/779251597.db2.gz	MPSSYYVALSIZNV-QLFBSQMISA-N	1	0	356.488	1.412	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1c1ccccc1	ZINC001211524585	779332893	/nfs/dbraw/zinc/33/28/93/779332893.db2.gz	RCMSNJKJHCMRDY-RBUKOAKNSA-N	1	0	371.481	1.396	20	30		FDEDRO
CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NCC(C)(C)C#N)c2)CC1	ZINC000510655875	779500387	/nfs/dbraw/zinc/50/03/87/779500387.db2.gz	CLXSQUJWUNVOKY-UHFFFAOYSA-N	1	0	371.485	1.821	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)Cc2c(F)cccc2C#N)CC1	ZINC000510682569	779532058	/nfs/dbraw/zinc/53/20/58/779532058.db2.gz	ONJBXHPPZMBAPT-QGZVFWFLSA-N	1	0	358.461	1.868	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)[N@H+](C)C1	ZINC000328959908	779550828	/nfs/dbraw/zinc/55/08/28/779550828.db2.gz	QDYATOJZHKPNPQ-PMPSAXMXSA-N	1	0	360.458	1.936	20	30		FDEDRO
CCN(C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CC[NH2+]C1	ZINC000891850955	779738175	/nfs/dbraw/zinc/73/81/75/779738175.db2.gz	AHJCOYGJMSWZAT-IAGOWNOFSA-N	1	0	355.442	1.053	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc[nH]2)C1	ZINC001111586861	780247487	/nfs/dbraw/zinc/24/74/87/780247487.db2.gz	POQFURSPCDYELG-JXFKEZNVSA-N	1	0	356.470	1.800	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1	ZINC000971872640	780352249	/nfs/dbraw/zinc/35/22/49/780352249.db2.gz	CXCCSIDMKNRDRR-ZTFGCOKTSA-N	1	0	369.469	1.434	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)cc1F	ZINC001022475681	780547793	/nfs/dbraw/zinc/54/77/93/780547793.db2.gz	FPENRBPNMMVBBB-YUAHOQAQSA-N	1	0	373.428	1.486	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@@](C)(O)CN2Cc3ccccc3C2=O)CC1	ZINC000277103354	780747868	/nfs/dbraw/zinc/74/78/68/780747868.db2.gz	MNDJREILSJIOPI-NRFANRHFSA-N	1	0	371.481	1.550	20	30		FDEDRO
CN(C)c1ncc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1	ZINC000277170784	780961949	/nfs/dbraw/zinc/96/19/49/780961949.db2.gz	HTGCKWUUFMJMHT-QGZVFWFLSA-N	1	0	350.426	1.305	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CCCCNC(N)=O)C[C@H]1C	ZINC001104395602	780971655	/nfs/dbraw/zinc/97/16/55/780971655.db2.gz	UQCXPYCUHDRYPR-HZPDHXFCSA-N	1	0	354.495	1.102	20	30		FDEDRO
CC(C)(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1	ZINC001112508418	781003172	/nfs/dbraw/zinc/00/31/72/781003172.db2.gz	FHGNDCCSQGSXDS-YWZLYKJASA-N	1	0	362.518	1.917	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C	ZINC001104396714	781227981	/nfs/dbraw/zinc/22/79/81/781227981.db2.gz	ZSEKYZGDGWAQQC-IXDOHACOSA-N	1	0	356.532	1.852	20	30		FDEDRO
CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1	ZINC000472116026	781670598	/nfs/dbraw/zinc/67/05/98/781670598.db2.gz	UCKLTXAKVAVFKR-CQSZACIVSA-N	1	0	361.494	1.162	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3CN(C(=O)C[N@@H+](C)C4CCC4)C[C@H]32)c1	ZINC001022635528	781685799	/nfs/dbraw/zinc/68/57/99/781685799.db2.gz	VZQJQHKLPWFZFQ-QFBILLFUSA-N	1	0	366.465	1.220	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1	ZINC000277408146	781760426	/nfs/dbraw/zinc/76/04/26/781760426.db2.gz	DIWYOUBQKQKBKX-QGZVFWFLSA-N	1	0	355.438	1.770	20	30		FDEDRO
N#CCSCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCn2cncn2)C1	ZINC001211538042	781792595	/nfs/dbraw/zinc/79/25/95/781792595.db2.gz	OYZSZPRZCPBMFO-DLBZAZTESA-N	1	0	370.482	1.119	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+][C@H]2CCC(=O)NC2=O)cc1	ZINC001087197240	781839830	/nfs/dbraw/zinc/83/98/30/781839830.db2.gz	FIWCMNSNINCGSU-JLSDUUJJSA-N	1	0	367.449	1.303	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1	ZINC000375663910	781856010	/nfs/dbraw/zinc/85/60/10/781856010.db2.gz	FLNKUQJAFUSRPJ-CEXWTWQISA-N	1	0	359.514	1.877	20	30		FDEDRO
CC(C)[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@@H](O)COc1ccccc1	ZINC000277796008	783347735	/nfs/dbraw/zinc/34/77/35/783347735.db2.gz	NVVIEPZJBJMRBL-GOSISDBHSA-N	1	0	372.469	1.793	20	30		FDEDRO
C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC000972342734	783359457	/nfs/dbraw/zinc/35/94/57/783359457.db2.gz	ABZOOPWLXZMLQU-FGTMMUONSA-N	1	0	354.454	1.493	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)c1C#N	ZINC000892282359	783362030	/nfs/dbraw/zinc/36/20/30/783362030.db2.gz	BNQQPXOGLLRFKD-OAHLLOKOSA-N	1	0	363.421	1.938	20	30		FDEDRO
C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000892286075	783406996	/nfs/dbraw/zinc/40/69/96/783406996.db2.gz	YXAUBRVYMUEPLD-ZDUSSCGKSA-N	1	0	367.384	1.768	20	30		FDEDRO
N#Cc1cccc(CN2C[C@H]3OCCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)c1	ZINC001083248858	783471380	/nfs/dbraw/zinc/47/13/80/783471380.db2.gz	APZJGQUVELTDHW-RBUKOAKNSA-N	1	0	366.465	1.066	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C(=O)NC)cc2)C1	ZINC000972371820	783527004	/nfs/dbraw/zinc/52/70/04/783527004.db2.gz	BUYZSYDBJBJDNV-OTWHNJEPSA-N	1	0	371.481	1.670	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2cnnn2C)C1	ZINC001211734492	783574766	/nfs/dbraw/zinc/57/47/66/783574766.db2.gz	VYHSZMXUIBFPSN-RBUKOAKNSA-N	1	0	369.469	1.492	20	30		FDEDRO
C=CCn1c([C@H]2CCO[C@H]2C)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1	ZINC000647371486	783731122	/nfs/dbraw/zinc/73/11/22/783731122.db2.gz	RGJJSUUOWSRPIG-YVSFHVDLSA-N	1	0	363.506	1.902	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3ncccc3C)C[C@H]21	ZINC000972835424	783904241	/nfs/dbraw/zinc/90/42/41/783904241.db2.gz	UCEYGTRLUDSBES-FGTMMUONSA-N	1	0	366.465	1.161	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1	ZINC000658433531	784036083	/nfs/dbraw/zinc/03/60/83/784036083.db2.gz	DVBJWTOMTAHFSQ-HNNXBMFYSA-N	1	0	359.474	1.903	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2nnc(C(C)C)[nH]2)C1	ZINC001024164701	784155689	/nfs/dbraw/zinc/15/56/89/784155689.db2.gz	FZQKXHPYQGJLFS-OAGGEKHMSA-N	1	0	361.490	1.847	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2nc(C3CC3)no2)C1	ZINC001024165514	784173669	/nfs/dbraw/zinc/17/36/69/784173669.db2.gz	QGDPQURILFIUOK-IMJJTQAJSA-N	1	0	360.458	1.866	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(c3nc(Cl)c(C#N)s3)C2)CC[N@@H+]1C	ZINC001058580094	784826748	/nfs/dbraw/zinc/82/67/48/784826748.db2.gz	FSYSXPZGOWIWHB-GMTAPVOTSA-N	1	0	353.879	1.703	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccc(C#N)cc2)O1	ZINC001024505736	784963678	/nfs/dbraw/zinc/96/36/78/784963678.db2.gz	HKXVRSROVAFMIY-NSISKUIASA-N	1	0	370.497	1.748	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(N3C(=O)CCCC3=O)CC2)cc1	ZINC000364415215	785042668	/nfs/dbraw/zinc/04/26/68/785042668.db2.gz	GOQPEXRTNKVRNO-KRWDZBQOSA-N	1	0	371.437	1.301	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCCO3)C[C@H]1c1ccccc1	ZINC001211633319	785113348	/nfs/dbraw/zinc/11/33/48/785113348.db2.gz	XQMZBYLROYOEII-PKOBYXMFSA-N	1	0	364.449	1.887	20	30		FDEDRO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[N@@H+]([C@H](C)CO)CC1	ZINC000364938189	785238095	/nfs/dbraw/zinc/23/80/95/785238095.db2.gz	XGWVDBOQPFXXFR-VQIMIIECSA-N	1	0	359.470	1.877	20	30		FDEDRO
N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N2CC[NH+](C3CCC3)CC2)c1	ZINC000365063155	785269628	/nfs/dbraw/zinc/26/96/28/785269628.db2.gz	NFBOHHJYFDHWET-LJQANCHMSA-N	1	0	366.465	1.746	20	30		FDEDRO
CC1(C)C[NH2+]CC[C@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000892495985	785296631	/nfs/dbraw/zinc/29/66/31/785296631.db2.gz	IASMZNLACNCTBW-INIZCTEOSA-N	1	0	356.474	1.563	20	30		FDEDRO
CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1	ZINC000892498159	785332185	/nfs/dbraw/zinc/33/21/85/785332185.db2.gz	FHTGIEHUWZSMBW-MRXNPFEDSA-N	1	0	356.474	1.563	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@H](CO)C[NH+]3CCCCC3)cc2C1=O	ZINC000413811177	785445171	/nfs/dbraw/zinc/44/51/71/785445171.db2.gz	XMMUJNMTUCQMQZ-HNNXBMFYSA-N	1	0	371.437	1.045	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(NC(N)=O)c3)[C@H]2C1	ZINC001083270649	785582392	/nfs/dbraw/zinc/58/23/92/785582392.db2.gz	QVEBYXRWGYAPOC-DLBZAZTESA-N	1	0	358.442	1.669	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1	ZINC001024669835	785695207	/nfs/dbraw/zinc/69/52/07/785695207.db2.gz	ABMMBABWZULWKH-IAGOWNOFSA-N	1	0	359.470	1.262	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cn2ccc(C)cc2=O)C[C@H]1c1ccccc1	ZINC001211682044	805656607	/nfs/dbraw/zinc/65/66/07/805656607.db2.gz	GUHDAQIYRSLHGH-VQTJNVASSA-N	1	0	363.461	1.764	20	30		FDEDRO
CCCNC(=O)CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC#CCOC)C2	ZINC001111944834	786664403	/nfs/dbraw/zinc/66/44/03/786664403.db2.gz	WCBLBHBSAAKISP-PXNSSMCTSA-N	1	0	363.502	1.303	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)c1	ZINC000972993997	787252444	/nfs/dbraw/zinc/25/24/44/787252444.db2.gz	FDFIAIYMXKFZRV-IEBWSBKVSA-N	1	0	366.465	1.078	20	30		FDEDRO
CS[C@@H]1CN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@H]1[NH+](C)C	ZINC000376364692	787463381	/nfs/dbraw/zinc/46/33/81/787463381.db2.gz	CJJCPKMNVSHFTB-HUUCEWRRSA-N	1	0	371.470	1.648	20	30		FDEDRO
C#CC[C@@H](C)NC(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000376374373	787492811	/nfs/dbraw/zinc/49/28/11/787492811.db2.gz	FGBBADDIICKJHP-UYAOXDASSA-N	1	0	354.498	2.000	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+][C@H](C)COC)C2)nn1	ZINC001211683998	805795061	/nfs/dbraw/zinc/79/50/61/805795061.db2.gz	HKVPHFGGJDCXAM-BPQIPLTHSA-N	1	0	369.469	1.697	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001067539127	787599674	/nfs/dbraw/zinc/59/96/74/787599674.db2.gz	DANBECFXFODCAS-HLIPFELVSA-N	1	0	367.534	1.862	20	30		FDEDRO
C=CCN(C(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)[C@@H](C)COC	ZINC000659093972	787994374	/nfs/dbraw/zinc/99/43/74/787994374.db2.gz	FWACXIQJGDXSPS-WMLDXEAASA-N	1	0	361.442	1.336	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)c1	ZINC000978880335	805859504	/nfs/dbraw/zinc/85/95/04/805859504.db2.gz	JOALXLIQXIZTRZ-WZGPROSRSA-N	1	0	368.481	1.418	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000978874654	805871182	/nfs/dbraw/zinc/87/11/82/805871182.db2.gz	MXCSWSFTKSSNKA-ZXXIGWHRSA-N	1	0	363.502	1.319	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1	ZINC001025291902	788440645	/nfs/dbraw/zinc/44/06/45/788440645.db2.gz	IVOGQOCFYBUPRH-HUUCEWRRSA-N	1	0	371.909	1.185	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1	ZINC000973316266	788533218	/nfs/dbraw/zinc/53/32/18/788533218.db2.gz	PDWHOVJIZCBHLS-RXYDEIHYSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1	ZINC000973316997	788538653	/nfs/dbraw/zinc/53/86/53/788538653.db2.gz	AOVIXIGROHMPOD-QAETUUGQSA-N	1	0	361.486	1.217	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1c1ccccc1	ZINC001211686164	805888304	/nfs/dbraw/zinc/88/83/04/805888304.db2.gz	TZHQPXYCMQKEQU-JKSUJKDBSA-N	1	0	365.499	1.084	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2ccoc2CC(N)=O)C[C@H]1C	ZINC001104586939	788735123	/nfs/dbraw/zinc/73/51/23/788735123.db2.gz	DESGNOBVSXNCKO-HUUCEWRRSA-N	1	0	363.458	1.198	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C(C)(C)C)C2)CC1	ZINC000973363978	788765680	/nfs/dbraw/zinc/76/56/80/788765680.db2.gz	LDGDOKLQOYEJNS-BRSBDYLESA-N	1	0	359.514	1.777	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc[nH]c2C2CC2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104593546	788781445	/nfs/dbraw/zinc/78/14/45/788781445.db2.gz	CXQUCMAPAMCZDD-UKRRQHHQSA-N	1	0	357.458	1.220	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](O)COCCOC)C1	ZINC001104607523	788854857	/nfs/dbraw/zinc/85/48/57/788854857.db2.gz	XZDANXWIOWNTSG-KURKYZTESA-N	1	0	356.507	1.441	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H]3CCC(=O)NC3=O)C2)CC1	ZINC001104631530	789059098	/nfs/dbraw/zinc/05/90/98/789059098.db2.gz	QWMOYAMRHFDERE-OAGGEKHMSA-N	1	0	361.486	1.612	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2C(=O)CCC2=O)C1	ZINC001104632989	789064571	/nfs/dbraw/zinc/06/45/71/789064571.db2.gz	YZSZJCLCLFLCBG-JXXFODFXSA-N	1	0	363.502	1.812	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N3CCOCC3)C2)C1	ZINC001104651602	789173222	/nfs/dbraw/zinc/17/32/22/789173222.db2.gz	ALYAJHPZFPDIAA-IAGOWNOFSA-N	1	0	363.502	1.276	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cn(C)nc3C)C2)c1	ZINC001104659172	789180814	/nfs/dbraw/zinc/18/08/14/789180814.db2.gz	FKIQUOUEIRDSQY-CRAIPNDOSA-N	1	0	365.481	1.993	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC3CC3)C2)c1	ZINC001104659436	789181888	/nfs/dbraw/zinc/18/18/88/789181888.db2.gz	KXDQNVMTANLSCR-HLLBOEOZSA-N	1	0	368.481	1.418	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnn(C)n3)C2)c1	ZINC001104659893	789210581	/nfs/dbraw/zinc/21/05/81/789210581.db2.gz	YWLBHHZXJMIWLP-GDBMZVCRSA-N	1	0	352.442	1.079	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2(CF)CC2)C[C@H]1C	ZINC001104664124	789227080	/nfs/dbraw/zinc/22/70/80/789227080.db2.gz	VYDYZUWOTYDHQM-HZPDHXFCSA-N	1	0	366.481	1.572	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1c1ccccc1	ZINC001211647269	789354472	/nfs/dbraw/zinc/35/44/72/789354472.db2.gz	WVDSMLJJYVOVDZ-DLBZAZTESA-N	1	0	370.453	1.526	20	30		FDEDRO
C#CCOc1ccc(C[NH2+][C@@H]2CCCN(Cc3nccn3C)C2=O)cc1	ZINC000782981120	789665688	/nfs/dbraw/zinc/66/56/88/789665688.db2.gz	YGIMQEIKPSYCGT-GOSISDBHSA-N	1	0	352.438	1.713	20	30		FDEDRO
CCOC(=O)[C@@H]1NCC[C@H]1[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000422981418	814928133	/nfs/dbraw/zinc/92/81/33/814928133.db2.gz	SQJUFJHFSYHWNA-YXJHDRRASA-N	1	0	360.433	1.549	20	30		FDEDRO
C[NH+](C)CCCOc1ccc(CNC(=O)N2CCO[C@@](C)(C#N)C2)cc1	ZINC000892770315	791172520	/nfs/dbraw/zinc/17/25/20/791172520.db2.gz	JBNFOORSPQLUHL-IBGZPJMESA-N	1	0	360.458	1.841	20	30		FDEDRO
C=C[C@H](CO)[NH2+]CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000662163839	806043410	/nfs/dbraw/zinc/04/34/10/806043410.db2.gz	NMUZRRCTDPHPDH-CQSZACIVSA-N	1	0	357.376	1.491	20	30		FDEDRO
C=C[C@H](CO)[NH2+]CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1	ZINC000662166284	806053663	/nfs/dbraw/zinc/05/36/63/806053663.db2.gz	YSCMUMPUTQKOJO-CYBMUJFWSA-N	1	0	355.841	1.260	20	30		FDEDRO
C[C@]1(C#N)CN(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CCO1	ZINC000892829310	791366792	/nfs/dbraw/zinc/36/67/92/791366792.db2.gz	UVBWSUKAIBYJHL-FQEVSTJZSA-N	1	0	372.469	1.467	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@]23CCC[C@]2(OCCOC)OCC3)CC1	ZINC000892857755	791473266	/nfs/dbraw/zinc/47/32/66/791473266.db2.gz	IOCNGSFOMXCJQL-RTBURBONSA-N	1	0	367.490	1.638	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ocnc1C1CC1)C2	ZINC001112529284	806082326	/nfs/dbraw/zinc/08/23/26/806082326.db2.gz	RKDFTRNLMDGWJB-LIRRHRJNSA-N	1	0	371.441	1.024	20	30		FDEDRO
N#Cc1cccc(COc2cccc(C[N@H+]3CCC[C@](O)(C(N)=O)C3)c2)c1	ZINC000377372016	791664532	/nfs/dbraw/zinc/66/45/32/791664532.db2.gz	KTBDHZUABUUDHO-OAQYLSRUSA-N	1	0	365.433	1.949	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2CC23CCN(c2ncccc2C#N)CC3)CC[N@@H+]1C	ZINC001058655514	791688502	/nfs/dbraw/zinc/68/85/02/791688502.db2.gz	AYHLHPATZXKDDZ-DJIMGWMZSA-N	1	0	353.470	1.769	20	30		FDEDRO
C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1	ZINC000415372227	792120109	/nfs/dbraw/zinc/12/01/09/792120109.db2.gz	HDXCZBMYLDZXMP-GFCCVEGCSA-N	1	0	370.331	1.606	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@H](CC(N)=O)C1	ZINC000377542570	792164140	/nfs/dbraw/zinc/16/41/40/792164140.db2.gz	JGRQJDDLYABFOI-HUUCEWRRSA-N	1	0	358.442	1.528	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000377553285	792195218	/nfs/dbraw/zinc/19/52/18/792195218.db2.gz	NWMVDORFALTIGQ-KDOFPFPSSA-N	1	0	369.469	1.299	20	30		FDEDRO
C[C@@H]1CCCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)[C@@H]1C[NH3+]	ZINC000415437563	792270974	/nfs/dbraw/zinc/27/09/74/792270974.db2.gz	KSQGYGJVUSFDER-MLGOLLRUSA-N	1	0	356.405	2.474	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1	ZINC000415474872	792326107	/nfs/dbraw/zinc/32/61/07/792326107.db2.gz	MWNQNOGHTAUCCQ-NEPJUHHUSA-N	1	0	364.352	1.451	20	30		FDEDRO
CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000415477682	792333114	/nfs/dbraw/zinc/33/31/14/792333114.db2.gz	BSHUOKICDUMBJT-UHFFFAOYSA-N	1	0	372.347	1.839	20	30		FDEDRO
Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)ccc1Cl	ZINC000377652904	792418222	/nfs/dbraw/zinc/41/82/22/792418222.db2.gz	LNJCCVODTIGEAZ-GDBMZVCRSA-N	1	0	374.872	1.963	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	ZINC000415609942	792685439	/nfs/dbraw/zinc/68/54/39/792685439.db2.gz	HRBRZOABRWZLHU-RISCZKNCSA-N	1	0	369.450	1.734	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)ccc1OC(F)(F)F	ZINC000415617884	792693707	/nfs/dbraw/zinc/69/37/07/792693707.db2.gz	CVVXWPVASRIAJW-LLVKDONJSA-N	1	0	370.331	1.654	20	30		FDEDRO
C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1	ZINC000415691470	792821908	/nfs/dbraw/zinc/82/19/08/792821908.db2.gz	NDGGDSSSBCGPLE-OAQYLSRUSA-N	1	0	362.433	1.617	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1C(F)(F)F	ZINC000415743163	792896926	/nfs/dbraw/zinc/89/69/26/792896926.db2.gz	KDPOEMFKZDBNDF-VXGBXAGGSA-N	1	0	366.343	1.583	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc3ccccn3c2)C[C@H]1C	ZINC001104751377	792913066	/nfs/dbraw/zinc/91/30/66/792913066.db2.gz	LXZWOSPRWRKSRS-IAGOWNOFSA-N	1	0	366.465	1.377	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1	ZINC000415758526	792930777	/nfs/dbraw/zinc/93/07/77/792930777.db2.gz	DBRRQSVAZYKENG-CJNGLKHVSA-N	1	0	371.441	1.143	20	30		FDEDRO
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH3+]	ZINC000415792171	793003265	/nfs/dbraw/zinc/00/32/65/793003265.db2.gz	SUHYOOLXCSWDAE-STQMWFEESA-N	1	0	367.409	1.844	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc1	ZINC000415834767	793093439	/nfs/dbraw/zinc/09/34/39/793093439.db2.gz	VOSJFMMFKRMZIM-RHSMWYFYSA-N	1	0	370.453	1.245	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1	ZINC000415875793	793254926	/nfs/dbraw/zinc/25/49/26/793254926.db2.gz	ZRMBLXRDTZIOHO-RBSFLKMASA-N	1	0	356.426	1.400	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C)C2)C[C@H]1C	ZINC001104760846	793530220	/nfs/dbraw/zinc/53/02/20/793530220.db2.gz	GYSWMTPJJRUUSU-RCCFBDPRSA-N	1	0	365.518	1.522	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nncs3)C2)nn1	ZINC001104769264	793555473	/nfs/dbraw/zinc/55/54/73/793555473.db2.gz	MQXXILADUYHJBD-CHWSQXEVSA-N	1	0	361.475	1.204	20	30		FDEDRO
CCc1c(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)ccn1C	ZINC001112529619	806265249	/nfs/dbraw/zinc/26/52/49/806265249.db2.gz	HWPLZUKVQXSEGM-YWZLYKJASA-N	1	0	371.485	1.059	20	30		FDEDRO
CC(C)OCC[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@H]1C(F)(F)F	ZINC001112052881	793865346	/nfs/dbraw/zinc/86/53/46/793865346.db2.gz	HHDFZRGPZPLMNF-VXGBXAGGSA-N	1	0	353.410	1.647	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnn(CC(C)C)c2)C[C@H]1C	ZINC001104839478	793999055	/nfs/dbraw/zinc/99/90/55/793999055.db2.gz	BWPUOCIWEMCYIY-QZTJIDSGSA-N	1	0	360.502	1.877	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C1CCN(Cc2ccncc2)CC1	ZINC000378381542	794056232	/nfs/dbraw/zinc/05/62/32/794056232.db2.gz	DZXHRRKRAUCQFF-OAHLLOKOSA-N	1	0	359.474	1.378	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)C[C@H](C)O2	ZINC001098609950	794132841	/nfs/dbraw/zinc/13/28/41/794132841.db2.gz	GVLJEESJHXPESN-FGTMMUONSA-N	1	0	365.518	1.364	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)c2cscn2)C[C@H]1C	ZINC001104880367	794199155	/nfs/dbraw/zinc/19/91/55/794199155.db2.gz	ZXFJELHIHZSHIJ-HUUCEWRRSA-N	1	0	364.515	1.913	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1CC[NH2+]Cc1ccc(C#N)s1	ZINC001104891522	794237468	/nfs/dbraw/zinc/23/74/68/794237468.db2.gz	HTDJOINKBDVECI-CHWSQXEVSA-N	1	0	358.471	1.555	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cc3c([nH]c2=O)CCOC3)C[C@H]1C	ZINC001104896285	794267851	/nfs/dbraw/zinc/26/78/51/794267851.db2.gz	RWYADYHEEQIWLM-HUUCEWRRSA-N	1	0	357.454	1.571	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1C	ZINC001104896915	794280924	/nfs/dbraw/zinc/28/09/24/794280924.db2.gz	VGALAODMZPQOOI-ZIAGYGMSSA-N	1	0	357.445	1.798	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@](C)(NC(C)=O)C2CC2)C[C@H]1C	ZINC001104897001	794281149	/nfs/dbraw/zinc/28/11/49/794281149.db2.gz	ZFCZOULCSLDGHK-MDYRTPRTSA-N	1	0	363.502	1.015	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnc(OCC3CC3)cn2)C[C@H]1C	ZINC001104902491	794310186	/nfs/dbraw/zinc/31/01/86/794310186.db2.gz	VYKDFNZNTUDTQK-NVXWUHKLSA-N	1	0	356.470	1.977	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCCN(C)C2=O)C[C@H]1C	ZINC001104905912	794330258	/nfs/dbraw/zinc/33/02/58/794330258.db2.gz	VKKHVGBLWHNANN-KURKYZTESA-N	1	0	365.518	1.522	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nonc3C)C2)nc1	ZINC001104924121	794420478	/nfs/dbraw/zinc/42/04/78/794420478.db2.gz	HBKLNDAHTFQZQF-CZUORRHYSA-N	1	0	353.426	1.642	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCCC)C2)nc1	ZINC001104925046	794423803	/nfs/dbraw/zinc/42/38/03/794423803.db2.gz	YOGXELHSFCRPFY-SJLPKXTDSA-N	1	0	370.497	1.667	20	30		FDEDRO
CC[C@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1)C(C)C	ZINC001104927629	794435770	/nfs/dbraw/zinc/43/57/70/794435770.db2.gz	NDBPCVJAKLVVNS-BRWVUGGUSA-N	1	0	350.507	1.773	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cc(OC)no3)C2)cn1	ZINC001104927769	794436589	/nfs/dbraw/zinc/43/65/89/794436589.db2.gz	SSJWZUBXNKSHHL-GDBMZVCRSA-N	1	0	368.437	1.948	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1	ZINC000974125281	794462352	/nfs/dbraw/zinc/46/23/52/794462352.db2.gz	KKRAODZHQMQGQF-RZFLPCETSA-N	1	0	363.502	1.604	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cccc(OC)c2)C[C@H]1C	ZINC001104947486	794532125	/nfs/dbraw/zinc/53/21/25/794532125.db2.gz	SSBVJEUHJDVHCI-NVXWUHKLSA-N	1	0	357.454	1.132	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C[C@H]1C	ZINC001104952170	794536091	/nfs/dbraw/zinc/53/60/91/794536091.db2.gz	JIUVZAHUTBREGZ-BFYDXBDKSA-N	1	0	357.520	1.109	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)CC)C1	ZINC001104954559	794552723	/nfs/dbraw/zinc/55/27/23/794552723.db2.gz	IEKSBNCELBZQDM-YLJYHZDGSA-N	1	0	369.509	1.763	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H](OC)C2CCC2)C1	ZINC001112068717	794701676	/nfs/dbraw/zinc/70/16/76/794701676.db2.gz	MXNUFATYDQTQHV-KFWWJZLASA-N	1	0	364.408	1.983	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)c2ccccc2)C[C@H]1C	ZINC001104979086	794720379	/nfs/dbraw/zinc/72/03/79/794720379.db2.gz	MLHDXLJMHHVJQZ-ZHALLVOQSA-N	1	0	355.482	1.902	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnc3n[nH]c(C)c3c2)C[C@H]1C	ZINC001105011014	794909651	/nfs/dbraw/zinc/90/96/51/794909651.db2.gz	HCSMVOIIHNWAHW-GDBMZVCRSA-N	1	0	369.469	1.604	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H](CNc2ccnc(C#N)n2)C2CCCCC2)CC[N@@H+]1C	ZINC001105025933	794957640	/nfs/dbraw/zinc/95/76/40/794957640.db2.gz	NALGBJYCONGNLA-OIISXLGYSA-N	1	0	370.501	1.587	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)COc2ccc(C(N)=O)cc2)C[C@H]1C	ZINC001105031401	794995953	/nfs/dbraw/zinc/99/59/53/794995953.db2.gz	RSYMQOMWBZRCGR-NVXWUHKLSA-N	1	0	357.454	1.262	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)COc2ccc(C(N)=O)cc2)C[C@H]1C	ZINC001105031429	794997559	/nfs/dbraw/zinc/99/75/59/794997559.db2.gz	SJTYCPGYOVUOBW-NVXWUHKLSA-N	1	0	359.470	1.815	20	30		FDEDRO
C[C@H]([NH2+]CC[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C)C(=O)N(C)C	ZINC001105045540	795047923	/nfs/dbraw/zinc/04/79/23/795047923.db2.gz	VOLVGLMKXJDGRW-WSTZPKSXSA-N	1	0	369.509	1.979	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2sccc2CC)C[C@H]1C	ZINC001105053275	795072235	/nfs/dbraw/zinc/07/22/35/795072235.db2.gz	FFYOYHJLEZBLHS-GDBMZVCRSA-N	1	0	361.511	1.748	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cc(C(N)=O)cs2)C[C@H]1C	ZINC001105071326	795155228	/nfs/dbraw/zinc/15/52/28/795155228.db2.gz	RRCSHISUDKZBQQ-ZIAGYGMSSA-N	1	0	363.483	1.185	20	30		FDEDRO
C=CCC1(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CCOCC1	ZINC000644775934	795182476	/nfs/dbraw/zinc/18/24/76/795182476.db2.gz	PDJIWYXZRZHFNQ-UHFFFAOYSA-N	1	0	365.518	1.272	20	30		FDEDRO
CNC(=O)CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C1	ZINC001105086842	795211512	/nfs/dbraw/zinc/21/15/12/795211512.db2.gz	QNDDRUHCRLQUMW-IAGOWNOFSA-N	1	0	351.491	1.017	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCCC2)C1	ZINC001105090017	795232737	/nfs/dbraw/zinc/23/27/37/795232737.db2.gz	FPAXMOOABHFZSK-IXDOHACOSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)N(C)C(C)C)C1	ZINC001105090153	795233698	/nfs/dbraw/zinc/23/36/98/795233698.db2.gz	LMUDAWDGMQKDAW-FGTMMUONSA-N	1	0	367.534	1.909	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)n2nc(C)cc2C)C[C@H]1C	ZINC001105095283	795259239	/nfs/dbraw/zinc/25/92/39/795259239.db2.gz	DDMFNLMLIOOMEQ-AYOQOUSVSA-N	1	0	360.502	1.785	20	30		FDEDRO
C=CCNC(=O)c1ccc(N2CCC(N3CC[NH+](CCC)CC3)CC2)nc1	ZINC000364232434	795504577	/nfs/dbraw/zinc/50/45/77/795504577.db2.gz	ZWEJPUOFKMIEST-UHFFFAOYSA-N	1	0	371.529	1.994	20	30		FDEDRO
Cc1onc(CC(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)c1C#N	ZINC000500152189	795541641	/nfs/dbraw/zinc/54/16/41/795541641.db2.gz	BKJIPULDKGFGEP-AWEZNQCLSA-N	1	0	358.398	1.337	20	30		FDEDRO
C#CC[NH2+]C1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1	ZINC001026575676	795574364	/nfs/dbraw/zinc/57/43/64/795574364.db2.gz	ZIEOZOROXNZRQQ-BXNZUYAZSA-N	1	0	354.454	1.251	20	30		FDEDRO
C=CCN1CC[C@@H]([NH+]2CCC(OCCN3C[C@@H](C)O[C@@H](C)C3)CC2)C1=O	ZINC000499599026	795651261	/nfs/dbraw/zinc/65/12/61/795651261.db2.gz	FORFNVGOPJTEMV-ZIFCJYIRSA-N	1	0	365.518	1.364	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1ccccc1C[NH+](C)C	ZINC001026615885	795658790	/nfs/dbraw/zinc/65/87/90/795658790.db2.gz	NLXLONSHEXXXMT-DNVCBOLYSA-N	1	0	353.466	1.738	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1F	ZINC000418255363	795667095	/nfs/dbraw/zinc/66/70/95/795667095.db2.gz	BXRSPGROPWUEDC-OAHLLOKOSA-N	1	0	361.421	1.226	20	30		FDEDRO
CN(CCOCc1ccc(C#N)cc1)C(=O)NCCCN1CC[NH2+]CC1	ZINC000418290711	795712503	/nfs/dbraw/zinc/71/25/03/795712503.db2.gz	SYPZIPAZQCEHEW-UHFFFAOYSA-N	1	0	359.474	1.012	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOC2CCC2)C1	ZINC001112092935	795733665	/nfs/dbraw/zinc/73/36/65/795733665.db2.gz	UHGWHUFXOYWYSY-IIAWOOMASA-N	1	0	364.408	1.862	20	30		FDEDRO
C[NH2+]C[C@H](C)CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000418361607	795820199	/nfs/dbraw/zinc/82/01/99/795820199.db2.gz	APIBMHQNYJSCMO-AWEZNQCLSA-N	1	0	357.458	1.774	20	30		FDEDRO
CC(C)C[C@H](C[NH3+])NC(=O)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000418420680	795890786	/nfs/dbraw/zinc/89/07/86/795890786.db2.gz	ACGZKDBUFUFASC-PJIJBLCYSA-N	1	0	355.442	1.415	20	30		FDEDRO
CC(C)C[C@H](C[NH3+])NC(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000418420669	795890897	/nfs/dbraw/zinc/89/08/97/795890897.db2.gz	ACGZKDBUFUFASC-IQUTYRLHSA-N	1	0	355.442	1.415	20	30		FDEDRO
C[C@@H](CC[NH3+])NC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N	ZINC000418516029	796065161	/nfs/dbraw/zinc/06/51/61/796065161.db2.gz	CAAGXVLBBRFGTP-LBPRGKRZSA-N	1	0	373.436	1.434	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1	ZINC000979855772	806563893	/nfs/dbraw/zinc/56/38/93/806563893.db2.gz	HLZRHNARUVREPI-ATIWLJMLSA-N	1	0	363.502	1.463	20	30		FDEDRO
CN(CC(=O)N[C@](C)(C#N)C1CC1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1	ZINC000364702365	799862355	/nfs/dbraw/zinc/86/23/55/799862355.db2.gz	DLTUOWWJSHVELC-FFZOFVMBSA-N	1	0	355.486	1.815	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCNC2=O)C1	ZINC001112523475	799968619	/nfs/dbraw/zinc/96/86/19/799968619.db2.gz	VPXNBVWHEXZRPK-VDGAXYAQSA-N	1	0	362.518	1.832	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cncc(OC)n2)C1	ZINC001026850346	799992015	/nfs/dbraw/zinc/99/20/15/799992015.db2.gz	SNUIRJJEEWRKAB-OIISXLGYSA-N	1	0	360.458	1.405	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]21	ZINC000974710986	800150796	/nfs/dbraw/zinc/15/07/96/800150796.db2.gz	BKFVVZWYBNOLGF-KZNAEPCWSA-N	1	0	359.514	1.990	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)CC2(C)C)O1	ZINC000974755653	800245399	/nfs/dbraw/zinc/24/53/99/800245399.db2.gz	PJMHJKSONGQOEO-ATZDWAIDSA-N	1	0	370.497	1.604	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1ccnc(OC)n1	ZINC001027889472	806822937	/nfs/dbraw/zinc/82/29/37/806822937.db2.gz	AAXYOCBOGRWECZ-BBWFWOEESA-N	1	0	360.458	1.547	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)CCC[NH2+]1	ZINC000662537759	806823853	/nfs/dbraw/zinc/82/38/53/806823853.db2.gz	GJLSPRGCMBPOOG-HXUWFJFHSA-N	1	0	359.445	1.737	20	30		FDEDRO
C=CC[C@]1(C(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)CCC[NH2+]1	ZINC000662533660	806834040	/nfs/dbraw/zinc/83/40/40/806834040.db2.gz	BPAYPXUIELVNAY-FOIQADDNSA-N	1	0	373.453	1.126	20	30		FDEDRO
Cc1cnc2cc(C(=O)N3CC[C@@H]4CN(C(=O)[C@@H](C)C#N)[C@@H]4C3)ccn12	ZINC000974967776	800616437	/nfs/dbraw/zinc/61/64/37/800616437.db2.gz	AKQNVBLRMDIVBG-APHBMKBZSA-N	1	0	351.410	1.475	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]21	ZINC000974971548	800621685	/nfs/dbraw/zinc/62/16/85/800621685.db2.gz	WFXJNRRURGGTGU-ZTFGCOKTSA-N	1	0	358.486	1.327	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCc3c(cccc3C(N)=O)C2)CC1	ZINC000660598466	800689019	/nfs/dbraw/zinc/68/90/19/800689019.db2.gz	ZJZKANORYVLZSH-UHFFFAOYSA-N	1	0	356.470	1.894	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)C1	ZINC001087429052	806865204	/nfs/dbraw/zinc/86/52/04/806865204.db2.gz	NVHIWEKXKPUWAB-KBAYOESNSA-N	1	0	369.465	1.684	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ncnn2C(C)(C)C)C1	ZINC001027075260	800887988	/nfs/dbraw/zinc/88/79/88/800887988.db2.gz	PKNIKLSPDXNORC-OAGGEKHMSA-N	1	0	361.490	1.562	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)C[N@H+]4CCC[C@@H]4C)[C@@H]3C2)cc1	ZINC000975206279	800996293	/nfs/dbraw/zinc/99/62/93/800996293.db2.gz	JIVUKAQRAZJMBD-PWIZWCRZSA-N	1	0	365.477	1.825	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1cnn(C)n1)C2	ZINC001112530607	806877082	/nfs/dbraw/zinc/87/70/82/806877082.db2.gz	CODAMGXDYCMIJJ-YOEHRIQHSA-N	1	0	351.882	1.719	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCCN(CC(=O)N(CC)CC)CC2)CCC[NH2+]1	ZINC000662672551	806944234	/nfs/dbraw/zinc/94/42/34/806944234.db2.gz	CJQAWWLYJPEQLA-LJQANCHMSA-N	1	0	350.507	1.087	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@H]3CCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)[nH]1	ZINC000975663566	801921888	/nfs/dbraw/zinc/92/18/88/801921888.db2.gz	CTCIIPDXVWQLHZ-YOEHRIQHSA-N	1	0	355.442	1.045	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)C4(C)CC4)C[C@@H]32)CC1	ZINC000975750595	802194862	/nfs/dbraw/zinc/19/48/62/802194862.db2.gz	XNFCMZDFCCKJTF-WMZOPIPTSA-N	1	0	357.498	1.581	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]21	ZINC000975755468	802271025	/nfs/dbraw/zinc/27/10/25/802271025.db2.gz	ZHZGYCHYEGIJEZ-GJYPPUQNSA-N	1	0	368.481	1.971	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]32)nc1	ZINC000975819754	802513973	/nfs/dbraw/zinc/51/39/73/802513973.db2.gz	BZKCTNFHZSWZKN-WDSOQIARSA-N	1	0	368.481	1.466	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)[C@H](C)C#N)[C@H]3C2)CC1	ZINC000975979458	802773449	/nfs/dbraw/zinc/77/34/49/802773449.db2.gz	AFXSBVLMIPEVEJ-RYRKJORJSA-N	1	0	360.502	1.716	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1	ZINC000662742918	803001342	/nfs/dbraw/zinc/00/13/42/803001342.db2.gz	HXLOPAVLSZYWIH-UHFFFAOYSA-N	1	0	360.458	1.367	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccoc1C	ZINC000976245681	803102862	/nfs/dbraw/zinc/10/28/62/803102862.db2.gz	JWLUDBDFSRNLBF-KURKYZTESA-N	1	0	357.454	1.843	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC000976539195	803490667	/nfs/dbraw/zinc/49/06/67/803490667.db2.gz	LMIHEMHLDOCRNE-FVQBIDKESA-N	1	0	357.458	1.528	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC000976555090	803516770	/nfs/dbraw/zinc/51/67/70/803516770.db2.gz	FIRMFSOVRKXTNL-KZNAEPCWSA-N	1	0	371.485	1.918	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[NH+]3CCC2CC3)c[nH]1	ZINC000976556277	803520992	/nfs/dbraw/zinc/52/09/92/803520992.db2.gz	RSWHYJWDGWIEPX-RCCFBDPRSA-N	1	0	369.469	1.385	20	30		FDEDRO
C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(C#N)c2)CC1	ZINC000976556419	803521550	/nfs/dbraw/zinc/52/15/50/803521550.db2.gz	WBLZNLCNCYDWRE-IAGOWNOFSA-N	1	0	357.458	1.385	20	30		FDEDRO
C=C1CC(C)(C(=O)N(CCO)CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001058773767	803701091	/nfs/dbraw/zinc/70/10/91/803701091.db2.gz	WJVSHIUXWIHUFJ-JKSUJKDBSA-N	1	0	351.491	1.010	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)CCC[NH2+]1	ZINC000662850648	803709547	/nfs/dbraw/zinc/70/95/47/803709547.db2.gz	RSSKFDYHNFJDFN-DYXWJJEUSA-N	1	0	355.482	1.797	20	30		FDEDRO
CC1(C)CN(C(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CC[NH2+]1	ZINC000423152529	814975069	/nfs/dbraw/zinc/97/50/69/814975069.db2.gz	LSWVZYSXKOVXNQ-UHFFFAOYSA-N	1	0	370.453	1.138	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2cnco2)CC1	ZINC000976815896	803934556	/nfs/dbraw/zinc/93/45/56/803934556.db2.gz	UAWJKIWJRSZOEN-HZPDHXFCSA-N	1	0	358.442	1.177	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2	ZINC000423183995	814982532	/nfs/dbraw/zinc/98/25/32/814982532.db2.gz	HEAVNJSWKRNUJB-UHFFFAOYSA-N	1	0	355.482	1.846	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1	ZINC000423171724	814987576	/nfs/dbraw/zinc/98/75/76/814987576.db2.gz	PSWPJNNEBHIWIT-IRXDYDNUSA-N	1	0	357.454	1.278	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(C#N)s2)C1	ZINC001027448609	804125795	/nfs/dbraw/zinc/12/57/95/804125795.db2.gz	WOFKWDJWOGFPED-VBQJREDUSA-N	1	0	363.483	1.846	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1	ZINC000423219198	815006959	/nfs/dbraw/zinc/00/69/59/815006959.db2.gz	VWTZPSVSJIQBAH-AUUYWEPGSA-N	1	0	374.441	1.553	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(S(C)(=O)=O)c2)CC1	ZINC000652310195	804891023	/nfs/dbraw/zinc/89/10/23/804891023.db2.gz	DSKLGPKRRHIDHL-UHFFFAOYSA-N	1	0	365.499	1.930	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001027579303	805109094	/nfs/dbraw/zinc/10/90/94/805109094.db2.gz	FUQMTETWFHLISE-ZACQAIPSSA-N	1	0	370.453	1.111	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN(c4ccccn4)C[C@H]3C)[C@@H]2C1	ZINC000978176522	805254433	/nfs/dbraw/zinc/25/44/33/805254433.db2.gz	GIZDJPISNOBBMG-NNIGNNQHSA-N	1	0	352.482	1.471	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCOCCO)C1	ZINC001211676587	805292652	/nfs/dbraw/zinc/29/26/52/805292652.db2.gz	OEKHKQBTWCHRHD-WCIQWLHISA-N	1	0	374.481	1.171	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1c1ccccc1	ZINC001211678135	805311936	/nfs/dbraw/zinc/31/19/36/805311936.db2.gz	DCXLFWOFUUQCFQ-RBUKOAKNSA-N	1	0	350.422	1.324	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CN(C)CCO2)C1	ZINC001087423923	805494159	/nfs/dbraw/zinc/49/41/59/805494159.db2.gz	ALBYYMDKGATTHO-VAMGGRTRSA-N	1	0	355.482	1.315	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CN2CCCNC2=O)C1	ZINC001087431482	807197791	/nfs/dbraw/zinc/19/77/91/807197791.db2.gz	RCAPUSQHHLSYMI-RTBURBONSA-N	1	0	368.481	1.399	20	30		FDEDRO
CC1(C)CN(C(=O)C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC[NH2+]1	ZINC000423528503	815101200	/nfs/dbraw/zinc/10/12/00/815101200.db2.gz	OLBUYCSGSOFVDX-DLBZAZTESA-N	1	0	354.454	1.495	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3ccoc3C)C2)CC1	ZINC000980881146	807273315	/nfs/dbraw/zinc/27/33/15/807273315.db2.gz	UTDDDUSNZFPABB-FUHWJXTLSA-N	1	0	371.481	1.948	20	30		FDEDRO
CCn1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC#CCOC)C2)nn1	ZINC001211696916	807325405	/nfs/dbraw/zinc/32/54/05/807325405.db2.gz	QACNHDSOXJCIIH-ZWKOTPCHSA-N	1	0	367.453	1.146	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1	ZINC000423517192	815109227	/nfs/dbraw/zinc/10/92/27/815109227.db2.gz	BFRKSJPSAIIYBB-JCHJZTRSSA-N	1	0	368.481	1.871	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)c1	ZINC000423550551	815128610	/nfs/dbraw/zinc/12/86/10/815128610.db2.gz	ATTYDRASVFMLIN-UHFFFAOYSA-N	1	0	364.352	1.453	20	30		FDEDRO
C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1	ZINC000423551474	815129694	/nfs/dbraw/zinc/12/96/94/815129694.db2.gz	GRFSQYHWCSSOJS-KRWDZBQOSA-N	1	0	366.465	1.632	20	30		FDEDRO
C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1	ZINC000423567932	815137462	/nfs/dbraw/zinc/13/74/62/815137462.db2.gz	KWCBDZSZQMJCGS-KRWDZBQOSA-N	1	0	354.454	1.507	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1	ZINC000423569542	815139603	/nfs/dbraw/zinc/13/96/03/815139603.db2.gz	YDLGQGSYDRVVDU-KXBFYZLASA-N	1	0	366.465	1.760	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000981467484	808066625	/nfs/dbraw/zinc/06/66/25/808066625.db2.gz	ZXPGXVRILMUTEJ-UNQWWWNPSA-N	1	0	371.485	1.631	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3ccco3)C2)CC1	ZINC000981544296	808115061	/nfs/dbraw/zinc/11/50/61/808115061.db2.gz	HJQJFPLDUXJNLU-DOTOQJQBSA-N	1	0	357.454	1.640	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@](CO)(OC)C1)C(C)C	ZINC000663667374	808388211	/nfs/dbraw/zinc/38/82/11/808388211.db2.gz	GMWAHTXIRMPWNL-MJGOQNOKSA-N	1	0	353.507	1.868	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1	ZINC000669209610	808390864	/nfs/dbraw/zinc/39/08/64/808390864.db2.gz	LKMKFIZABYUNPW-WMZOPIPTSA-N	1	0	359.470	1.475	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CN(C)S(=O)(=O)CC)C[C@H]1c1ccccc1	ZINC001211700666	808399855	/nfs/dbraw/zinc/39/98/55/808399855.db2.gz	NWXFTZRZOMUEHD-DLBZAZTESA-N	1	0	365.499	1.038	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1	ZINC000504353931	815210934	/nfs/dbraw/zinc/21/09/34/815210934.db2.gz	ZLKDHCLHSMGJHT-IRXDYDNUSA-N	1	0	354.458	1.412	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)nc1	ZINC000981844647	808610951	/nfs/dbraw/zinc/61/09/51/808610951.db2.gz	UFMRPQHEZREGRO-RYQLBKOJSA-N	1	0	368.481	1.419	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2nocc2C)C[C@H]1c1ccccc1	ZINC001211703138	808908981	/nfs/dbraw/zinc/90/89/81/808908981.db2.gz	WPEQFJMHVLFDOP-DLBZAZTESA-N	1	0	368.437	1.483	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000279351577	808942669	/nfs/dbraw/zinc/94/26/69/808942669.db2.gz	GCZYFQRQQQTEDK-QGZVFWFLSA-N	1	0	352.442	1.911	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccn(C)c(=O)c1	ZINC001028197186	809006331	/nfs/dbraw/zinc/00/63/31/809006331.db2.gz	BLNWAJIOTUECES-LNLFQRSKSA-N	1	0	359.470	1.447	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C)C2)C[C@H]1c1ccccc1	ZINC001211705902	809056180	/nfs/dbraw/zinc/05/61/80/809056180.db2.gz	UCFGVDPFQJAYJB-NZSAHSFTSA-N	1	0	353.466	1.462	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)NCC1(COC)CC[NH2+]CC1	ZINC000418636727	809094106	/nfs/dbraw/zinc/09/41/06/809094106.db2.gz	HWYXCYLJFXZGJC-UHFFFAOYSA-N	1	0	374.485	1.732	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(F)nc4)[C@@H]3C2)C1=O	ZINC001075623223	809225520	/nfs/dbraw/zinc/22/55/20/809225520.db2.gz	HFQQIPWNZRNSSY-HRCADAONSA-N	1	0	358.417	1.154	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1c1ccccc1	ZINC001211721034	809273796	/nfs/dbraw/zinc/27/37/96/809273796.db2.gz	XTEDSDJHUMOTFJ-RYQLBKOJSA-N	1	0	358.486	1.984	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)cc1F	ZINC000418887785	809297739	/nfs/dbraw/zinc/29/77/39/809297739.db2.gz	NQDFUNXJRJBQOZ-UHFFFAOYSA-N	1	0	368.412	1.691	20	30		FDEDRO
C[C@H]1CCCN(C(=O)C(=O)NCCSCc2ccccc2C#N)[C@@H]1C[NH3+]	ZINC000418920987	809315802	/nfs/dbraw/zinc/31/58/02/809315802.db2.gz	LKRXERYPBNWAPS-WMLDXEAASA-N	1	0	374.510	1.493	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)C(C)C)C[C@H]1c1ccccc1	ZINC001211724021	809337759	/nfs/dbraw/zinc/33/77/59/809337759.db2.gz	HPNQWRMZGGORAU-ZWKOTPCHSA-N	1	0	364.511	1.970	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc2)C[C@H](C)O1	ZINC000424100362	815307029	/nfs/dbraw/zinc/30/70/29/815307029.db2.gz	KNNMZVTWKFEKRU-JKIFEVAISA-N	1	0	358.442	1.896	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)CC)C[C@H]1c1ccccc1	ZINC001211729749	809674200	/nfs/dbraw/zinc/67/42/00/809674200.db2.gz	IBARGQSCHJQBFQ-DLBZAZTESA-N	1	0	350.484	1.581	20	30		FDEDRO
C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCO[C@](C)(C#N)C2)CC1	ZINC000893782089	809733044	/nfs/dbraw/zinc/73/30/44/809733044.db2.gz	BPMFDBYHJZRBQB-HNAYVOBHSA-N	1	0	357.458	1.931	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1	ZINC001087443985	809807052	/nfs/dbraw/zinc/80/70/52/809807052.db2.gz	QJIJEQGSCCIVEB-IAGOWNOFSA-N	1	0	354.454	1.498	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)CS(C)(=O)=O)C[C@H]1c1ccccc1	ZINC001211732579	809812932	/nfs/dbraw/zinc/81/29/32/809812932.db2.gz	PAEZALFWLOTDRT-RYQLBKOJSA-N	1	0	362.495	1.275	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1	ZINC000332749194	809909034	/nfs/dbraw/zinc/90/90/34/809909034.db2.gz	YTVFUNAWCFYYHC-RDJZCZTQSA-N	1	0	360.502	1.956	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)OCC=C)C[C@H]1c1ccccc1	ZINC001211736044	809925206	/nfs/dbraw/zinc/92/52/06/809925206.db2.gz	FJLMLLQQJXWDBP-YTQUADARSA-N	1	0	371.481	1.464	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCN(C)C2=O)C[C@H]1C(F)(F)F	ZINC001112119286	809955494	/nfs/dbraw/zinc/95/54/94/809955494.db2.gz	NMLNGUVMKGOVFZ-BFHYXJOUSA-N	1	0	361.408	1.800	20	30		FDEDRO
C[NH+]=C(NCCC1CCCCC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1	ZINC000261705517	810040963	/nfs/dbraw/zinc/04/09/63/810040963.db2.gz	GSILNTIJPKQHGO-LJQANCHMSA-N	1	0	363.506	1.842	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc3n[nH]cc3c(C)c2)CC1	ZINC000411224070	810072725	/nfs/dbraw/zinc/07/27/25/810072725.db2.gz	JECXESHAEUDZNI-UHFFFAOYSA-N	1	0	355.442	1.967	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](O)c4ccccc4F)C[C@H]32)[nH]1	ZINC001075698461	815347229	/nfs/dbraw/zinc/34/72/29/815347229.db2.gz	YQISGYPNONHVKI-MJXNMMHHSA-N	1	0	368.412	1.905	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)CC1	ZINC000664019832	810180672	/nfs/dbraw/zinc/18/06/72/810180672.db2.gz	NEOMGZMGCMECOV-QZTJIDSGSA-N	1	0	362.518	1.579	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cn(C)c(=O)[nH]2)C1	ZINC001087457482	810201224	/nfs/dbraw/zinc/20/12/24/810201224.db2.gz	CKTMMRNKDGNEML-IAGOWNOFSA-N	1	0	370.428	1.876	20	30		FDEDRO
CC#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[C@H]2CCC(=O)N2)C1	ZINC001087458707	810291802	/nfs/dbraw/zinc/29/18/02/810291802.db2.gz	QHPWZJOTPUEVEY-GUDVDZBRSA-N	1	0	371.456	1.792	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@H]3CN(CC(=O)NC4CCCCC4)C[C@H]32)[nH]1	ZINC001075698734	815369590	/nfs/dbraw/zinc/36/95/90/815369590.db2.gz	IEHDXBQYZHQNEW-KBXCAEBGSA-N	1	0	369.469	1.482	20	30		FDEDRO
C#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ccc(OC)nn2)C1	ZINC001087459468	810497566	/nfs/dbraw/zinc/49/75/66/810497566.db2.gz	GFQJFPATICKVCM-SJLPKXTDSA-N	1	0	368.412	1.845	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC000664078988	810539420	/nfs/dbraw/zinc/53/94/20/810539420.db2.gz	WPDWNUXMIYSMGO-SFHVURJKSA-N	1	0	359.470	1.992	20	30		FDEDRO
C[C@H]1CC2(CN1C(=O)C(=O)NCCc1cccc(C#N)c1)CC[NH2+]CC2	ZINC000424531327	815381004	/nfs/dbraw/zinc/38/10/04/815381004.db2.gz	WUGPVMVHNVNZOT-HNNXBMFYSA-N	1	0	354.454	1.208	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN(Cc2cncc(OC)n2)C1	ZINC001028549674	810619548	/nfs/dbraw/zinc/61/95/48/810619548.db2.gz	UTXGJWOFARUPRM-OIISXLGYSA-N	1	0	360.458	1.405	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cscc4C)[C@@H]3C2)C1=O	ZINC001075659883	810904015	/nfs/dbraw/zinc/90/40/15/810904015.db2.gz	TXABWBBYKYCKAK-BHYGNILZSA-N	1	0	359.495	1.990	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](O)Cc4ccccc4)C[C@H]32)c1	ZINC001075658539	810908637	/nfs/dbraw/zinc/90/86/37/810908637.db2.gz	GZPNONKNAHCGJL-CMKODMSKSA-N	1	0	364.449	1.636	20	30		FDEDRO
Cc1ccc(CCC[N@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)cc1	ZINC001083392513	811207647	/nfs/dbraw/zinc/20/76/47/811207647.db2.gz	MFFMMGOVPSFQNT-MOPGFXCFSA-N	1	0	352.438	1.603	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCC2)N[C@@H]1CCN(c2cccc(Cl)c2)C1	ZINC000261636454	811288473	/nfs/dbraw/zinc/28/84/73/811288473.db2.gz	CVTHFICLZIEYKU-CQSZACIVSA-N	1	0	373.892	1.822	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1	ZINC000982818470	811290849	/nfs/dbraw/zinc/29/08/49/811290849.db2.gz	ZWLOWCPDOYRHKH-IKGGRYGDSA-N	1	0	361.486	1.028	20	30		FDEDRO
CC[NH+]=C(NCc1ccc2c(c1)OCO2)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000261800533	811321970	/nfs/dbraw/zinc/32/19/70/811321970.db2.gz	RRJAPFHKOKNWGM-KRWDZBQOSA-N	1	0	374.485	1.535	20	30		FDEDRO
C[NH+]=C(NCc1ccc(F)c(F)c1)N[C@@H]1CCc2nc(COC)nn2C1	ZINC000261934134	811347094	/nfs/dbraw/zinc/34/70/94/811347094.db2.gz	CAPYMNDRLZDAIL-GFCCVEGCSA-N	1	0	364.400	1.383	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000982827813	811397909	/nfs/dbraw/zinc/39/79/09/811397909.db2.gz	NVRXTSVVULPYSQ-UKPHBRMFSA-N	1	0	357.458	1.195	20	30		FDEDRO
[NH2+]=C(NCC[C@H]1c2ccccc2NC1=O)N1CCN(c2ncccn2)CC1	ZINC000262217778	811416194	/nfs/dbraw/zinc/41/61/94/811416194.db2.gz	FKXHJOPEFPQISP-HNNXBMFYSA-N	1	0	365.441	1.039	20	30		FDEDRO
C[C@@H]1C[C@@H]([NH+]=C(NCC(=O)N(C)C)N[C@H]2CCOc3ccccc32)CCO1	ZINC000262264752	811427430	/nfs/dbraw/zinc/42/74/30/811427430.db2.gz	FRIMOYIBSMTQNB-VYDXJSESSA-N	1	0	374.485	1.701	20	30		FDEDRO
CC[NH+]=C(NC[C@](C)(O)c1ccco1)N1CCN(C(=O)c2ccco2)CC1	ZINC000262416377	811463260	/nfs/dbraw/zinc/46/32/60/811463260.db2.gz	QGGMJBKEUBBTCF-IBGZPJMESA-N	1	0	374.441	1.504	20	30		FDEDRO
C[NH+]=C(NCC(=O)N1CCc2ccccc21)NC[C@@H](O)c1ccc(C)o1	ZINC000262457859	811472273	/nfs/dbraw/zinc/47/22/73/811472273.db2.gz	VLFYBGZDFMMIEV-MRXNPFEDSA-N	1	0	356.426	1.376	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N[C@H]1CCc2ccccc2C1	ZINC000262525021	811484061	/nfs/dbraw/zinc/48/40/61/811484061.db2.gz	RLFLQQKIRFQTFG-YJBOKZPZSA-N	1	0	352.486	1.871	20	30		FDEDRO
C[NH+]=C(NC[C@H](c1ccco1)N(C)C)N1CCN(c2ccccn2)CC1	ZINC000262569615	811495272	/nfs/dbraw/zinc/49/52/72/811495272.db2.gz	MOAOPBPRFKUAEW-MRXNPFEDSA-N	1	0	356.474	1.675	20	30		FDEDRO
CCn1cc(CC[N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)cn1	ZINC001075700382	815453927	/nfs/dbraw/zinc/45/39/27/815453927.db2.gz	NRBNVTZQKVCDKY-MAUKXSAKSA-N	1	0	352.442	1.492	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCCC2)N[C@@H]1CCN(c2ccccc2)C1	ZINC000262713003	811536239	/nfs/dbraw/zinc/53/62/39/811536239.db2.gz	CYXSSVPPQAWIKD-OAHLLOKOSA-N	1	0	353.474	1.558	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N1CCN(c2ccccc2)CC1	ZINC000262750501	811545770	/nfs/dbraw/zinc/54/57/70/811545770.db2.gz	BRDUYNCQUSWPEJ-KRWDZBQOSA-N	1	0	367.501	1.547	20	30		FDEDRO
C[C@@H]1C[N@@H+](C[C@H](O)CN2CCN([C@H](C#N)c3ccccc3)CC2)C[C@H](C)O1	ZINC000513503296	811566094	/nfs/dbraw/zinc/56/60/94/811566094.db2.gz	OOTTTXPCSFEOMU-KOUHRCEDSA-N	1	0	372.513	1.339	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@H](C#N)Cc1ccc(C#N)cc1	ZINC000280003620	811695071	/nfs/dbraw/zinc/69/50/71/811695071.db2.gz	LIAPBNZUKDGGRC-APWZRJJASA-N	1	0	366.465	1.952	20	30		FDEDRO
N#Cc1ccc(C[C@H](C#N)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1	ZINC000280158118	811730551	/nfs/dbraw/zinc/73/05/51/811730551.db2.gz	BTYVHLZBVQMCSB-RTBURBONSA-N	1	0	352.438	1.421	20	30		FDEDRO
C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)NCCc2cccc(C#N)c2)cc1	ZINC000419708739	812099929	/nfs/dbraw/zinc/09/99/29/812099929.db2.gz	NVWIQLMNBLXFNS-AWEZNQCLSA-N	1	0	350.422	1.553	20	30		FDEDRO
C=CC1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)CC1	ZINC000419872167	812267262	/nfs/dbraw/zinc/26/72/62/812267262.db2.gz	CTILZUXWMMVRHH-OALUTQOASA-N	1	0	371.481	1.682	20	30		FDEDRO
C=C[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1	ZINC000419872825	812267511	/nfs/dbraw/zinc/26/75/11/812267511.db2.gz	CWLWHGUPLRIONI-NZSAHSFTSA-N	1	0	371.481	1.824	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCCC(C)(C)[C@H]2C#N)CC1=O	ZINC000434445173	815566224	/nfs/dbraw/zinc/56/62/24/815566224.db2.gz	HLJQSRZLSZMNKJ-BRWVUGGUSA-N	1	0	360.502	1.860	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1	ZINC000420057068	813411177	/nfs/dbraw/zinc/41/11/77/813411177.db2.gz	BWDAXRHTYCZDRT-GOSISDBHSA-N	1	0	359.470	1.844	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+]	ZINC000420069842	813436256	/nfs/dbraw/zinc/43/62/56/813436256.db2.gz	UYIOSXTYRQRYGM-ROUUACIJSA-N	1	0	372.469	1.167	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+]	ZINC000420064868	813448791	/nfs/dbraw/zinc/44/87/91/813448791.db2.gz	PAJXAPISWWNMLD-FUHWJXTLSA-N	1	0	359.470	1.844	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1	ZINC000420092800	813470031	/nfs/dbraw/zinc/47/00/31/813470031.db2.gz	WJZOXSWPHGKFMN-SFHVURJKSA-N	1	0	354.454	1.707	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2)cc1	ZINC000420205512	813537367	/nfs/dbraw/zinc/53/73/67/813537367.db2.gz	PITBJWWESIHJTD-JKSUJKDBSA-N	1	0	370.453	1.172	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1	ZINC000420206413	813538029	/nfs/dbraw/zinc/53/80/29/813538029.db2.gz	JSIDMNXBHWDNSZ-GBESFXJTSA-N	1	0	368.481	1.801	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1	ZINC000420206415	813538267	/nfs/dbraw/zinc/53/82/67/813538267.db2.gz	JSIDMNXBHWDNSZ-IPMKNSEASA-N	1	0	368.481	1.801	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCC(C#N)CC1	ZINC000501690659	813600053	/nfs/dbraw/zinc/60/00/53/813600053.db2.gz	RIAYTIQJLBSTJX-VQIMIIECSA-N	1	0	368.481	1.775	20	30		FDEDRO
C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)CC[C@H]1N1CC[NH+](C)CC1	ZINC000367030673	814258024	/nfs/dbraw/zinc/25/80/24/814258024.db2.gz	ROSTWVFPHCZCOI-YLJYHZDGSA-N	1	0	369.513	1.845	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1	ZINC000983070704	814309350	/nfs/dbraw/zinc/30/93/50/814309350.db2.gz	BNIXOZKCVWQVSL-BBWFWOEESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1	ZINC000983070710	814309429	/nfs/dbraw/zinc/30/94/29/814309429.db2.gz	BNIXOZKCVWQVSL-ZACQAIPSSA-N	1	0	363.502	1.417	20	30		FDEDRO
C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	ZINC000502907963	814317776	/nfs/dbraw/zinc/31/77/76/814317776.db2.gz	WOZZCOWMYTUUCL-LJQANCHMSA-N	1	0	354.410	1.788	20	30		FDEDRO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1	ZINC000422090841	814399741	/nfs/dbraw/zinc/39/97/41/814399741.db2.gz	JOZKQWHDUJMUGP-MSOLQXFVSA-N	1	0	355.482	1.891	20	30		FDEDRO
COC[C@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000272049896	814557364	/nfs/dbraw/zinc/55/73/64/814557364.db2.gz	ZGXMBABQSPHOOM-QFBILLFUSA-N	1	0	374.460	1.503	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)C(=O)NCC(C)(C)CC#N)C[N@@H+]1Cc1ccccc1	ZINC000422373122	814813137	/nfs/dbraw/zinc/81/31/37/814813137.db2.gz	CTFNEAWQSJHQPR-RDJZCZTQSA-N	1	0	356.470	1.822	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)COC)C[C@H]1C(F)(F)F	ZINC001112131090	814818747	/nfs/dbraw/zinc/81/87/47/814818747.db2.gz	JKZJVSPLKJOVRM-CHWSQXEVSA-N	1	0	350.381	1.288	20	30		FDEDRO
C[C@@H](CC[NH+](C)C)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O	ZINC000505503978	815756094	/nfs/dbraw/zinc/75/60/94/815756094.db2.gz	YLNYNXMWXSRMAO-XJKSGUPXSA-N	1	0	371.441	1.220	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccccc2)C1	ZINC001028808549	815777052	/nfs/dbraw/zinc/77/70/52/815777052.db2.gz	AHAZLJSTYJOQHM-UHOSZYNNSA-N	1	0	371.481	1.679	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccc3c(c2)nnn3C)C1	ZINC001028810049	815786322	/nfs/dbraw/zinc/78/63/22/815786322.db2.gz	VASJNCIDRWEPEZ-MDZRGWNJSA-N	1	0	369.469	1.498	20	30		FDEDRO
C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)C2)C1	ZINC000505532524	815798585	/nfs/dbraw/zinc/79/85/85/815798585.db2.gz	FHQUEBLQBIKVIE-HXUWFJFHSA-N	1	0	364.453	1.884	20	30		FDEDRO
C=C(Br)CN1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1	ZINC001028817820	815854697	/nfs/dbraw/zinc/85/46/97/815854697.db2.gz	HTQMCSFDUBECJQ-AEGPPILISA-N	1	0	367.291	1.870	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CC[C@H](c3ccc(OC)c(F)c3)[C@@H]([NH3+])C2)nn1	ZINC000425261705	815862072	/nfs/dbraw/zinc/86/20/72/815862072.db2.gz	ZBJMZAXPCIWIBV-ZBFHGGJFSA-N	1	0	373.432	1.959	20	30		FDEDRO
CN(C)C(=O)c1cccc(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c1	ZINC000514661724	815921622	/nfs/dbraw/zinc/92/16/22/815921622.db2.gz	OCNMLWLOQIZIGI-GOSISDBHSA-N	1	0	353.422	1.790	20	30		FDEDRO
C=CCN(C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H](C)COC	ZINC000664475411	815948272	/nfs/dbraw/zinc/94/82/72/815948272.db2.gz	QENKOTADBHWZOC-NXHRZFHOSA-N	1	0	353.507	1.987	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cccc(C(N)=O)c2)C1	ZINC001028863802	816320977	/nfs/dbraw/zinc/32/09/77/816320977.db2.gz	CPECGGYQXINUQC-WDSOQIARSA-N	1	0	371.481	1.705	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CCCN1C(=O)c2ccccc2C1=O	ZINC000425555859	816517541	/nfs/dbraw/zinc/51/75/41/816517541.db2.gz	ZRBXARWIYJCGMM-CQSZACIVSA-N	1	0	368.437	1.555	20	30		FDEDRO
CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000516171266	816676488	/nfs/dbraw/zinc/67/64/88/816676488.db2.gz	AJKQTAXVOUUJKK-MAUKXSAKSA-N	1	0	371.485	1.687	20	30		FDEDRO
C=CCN(C[C@H](O)C[N@H+](C)C1CC1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000516216441	816709462	/nfs/dbraw/zinc/70/94/62/816709462.db2.gz	HIFUXLLBOKEMEA-DNVCBOLYSA-N	1	0	356.474	1.666	20	30		FDEDRO
C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCc2ccc(CC#N)cc2)C1	ZINC000516866405	817070449	/nfs/dbraw/zinc/07/04/49/817070449.db2.gz	VQDMZBRLRFFSPK-MSOLQXFVSA-N	1	0	354.454	1.312	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000425867607	817251814	/nfs/dbraw/zinc/25/18/14/817251814.db2.gz	CLYLWFJMLGZQHR-OALUTQOASA-N	1	0	373.497	1.904	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1	ZINC000517134630	817254458	/nfs/dbraw/zinc/25/44/58/817254458.db2.gz	FOZASCBWYRKUIP-MRXNPFEDSA-N	1	0	358.486	1.983	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1	ZINC000425890880	817326803	/nfs/dbraw/zinc/32/68/03/817326803.db2.gz	SGXDNMSZGLFVRU-HNNXBMFYSA-N	1	0	360.458	1.162	20	30		FDEDRO
C[NH+]=C(NCc1cccnc1N(C)C)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000261948641	817355859	/nfs/dbraw/zinc/35/58/59/817355859.db2.gz	NPYPBRZTJJONRG-UHFFFAOYSA-N	1	0	360.506	1.554	20	30		FDEDRO
Cn1nncc1C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21	ZINC001075747840	817356436	/nfs/dbraw/zinc/35/64/36/817356436.db2.gz	DQQUDHSJPJUTTR-MAUKXSAKSA-N	1	0	366.425	1.064	20	30		FDEDRO
CC[NH+]=C(NCCNC(=O)c1cccc(C)c1)N1CC[C@]2(CCOC2)C1	ZINC000261949372	817523370	/nfs/dbraw/zinc/52/33/70/817523370.db2.gz	GWSKWNJFRKUUGV-FQEVSTJZSA-N	1	0	358.486	1.803	20	30		FDEDRO
C[N@H+](CCNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C1CCCC1	ZINC000517835550	817604200	/nfs/dbraw/zinc/60/42/00/817604200.db2.gz	KKMAEAUKKWWEAB-UHFFFAOYSA-N	1	0	352.442	1.930	20	30		FDEDRO
C[NH+]=C(NC[C@H](O)c1cc(OC)ccc1OC)N1CC[C@@]2(CCOC2)C1	ZINC000261958572	817688581	/nfs/dbraw/zinc/68/85/81/817688581.db2.gz	JMRKNUYKPZXGDN-QFBILLFUSA-N	1	0	363.458	1.425	20	30		FDEDRO
CC[NH+]=C(NC[C@]1(O)CCc2ccccc21)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C	ZINC000261961407	817801635	/nfs/dbraw/zinc/80/16/35/817801635.db2.gz	KIBQBJQRAZIWNB-NYSBEXSLSA-N	1	0	356.514	1.858	20	30		FDEDRO
Cc1nnc(CNC(N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)=[NH+]C2CCCC2)n1C	ZINC000261967884	817830523	/nfs/dbraw/zinc/83/05/23/817830523.db2.gz	LXCKHDZYIPOPBZ-USXIJHARSA-N	1	0	360.506	1.915	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)C(C)(C)F)CC1	ZINC000983464686	817879156	/nfs/dbraw/zinc/87/91/56/817879156.db2.gz	KSCLIHFKMWALIX-WBVHZDCISA-N	1	0	365.493	1.823	20	30		FDEDRO
C[NH+]=C(NCc1ccc(OC)c(C(=O)OC)c1)N1CC[C@]2(CCOC2)C1	ZINC000261983691	817909373	/nfs/dbraw/zinc/90/93/73/817909373.db2.gz	PNRWDESTDMFRMV-IBGZPJMESA-N	1	0	361.442	1.670	20	30		FDEDRO
C#CCN(C)CCC[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2	ZINC000894639669	818274910	/nfs/dbraw/zinc/27/49/10/818274910.db2.gz	QWEVRWLQDFNUKW-SJORKVTESA-N	1	0	365.518	1.994	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2nnn(C)n2)C1	ZINC001087475300	818310446	/nfs/dbraw/zinc/31/04/46/818310446.db2.gz	BBNVOFANBPYYNT-IRXDYDNUSA-N	1	0	370.457	1.383	20	30		FDEDRO
C#CCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)C1	ZINC001087475428	818319993	/nfs/dbraw/zinc/31/99/93/818319993.db2.gz	HXNSTFJCYAWKFF-IRXDYDNUSA-N	1	0	368.437	1.355	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)C1	ZINC001087475383	818323814	/nfs/dbraw/zinc/32/38/14/818323814.db2.gz	FFNISYSERVXMRD-FHWLQOOXSA-N	1	0	371.481	1.776	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)C1	ZINC001087475949	818341353	/nfs/dbraw/zinc/34/13/53/818341353.db2.gz	LLTKEUYXYFOWRF-WDSOQIARSA-N	1	0	371.481	1.824	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1	ZINC000937411650	818398051	/nfs/dbraw/zinc/39/80/51/818398051.db2.gz	PXASJWKWDUBJBL-KSZLIROESA-N	1	0	363.502	1.561	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1	ZINC000519606399	818765811	/nfs/dbraw/zinc/76/58/11/818765811.db2.gz	QZUUVRNWEXONEB-KURKYZTESA-N	1	0	365.518	1.712	20	30		FDEDRO
CC[N@H+](CCNC(=O)CNC(=O)c1ccc(C#N)cc1)CCC(F)(F)F	ZINC000427274605	818776035	/nfs/dbraw/zinc/77/60/35/818776035.db2.gz	PYTMEGARVPDFBI-UHFFFAOYSA-N	1	0	370.375	1.679	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1	ZINC000983727488	818831525	/nfs/dbraw/zinc/83/15/25/818831525.db2.gz	JBXDPLKLPGYTMD-YCPHGPKFSA-N	1	0	357.458	1.195	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3cnn(C)c3C2)C[C@H]1C(F)(F)F	ZINC001112152314	819273355	/nfs/dbraw/zinc/27/33/55/819273355.db2.gz	QZBUPHFHEHNTAU-BPLDGKMQSA-N	1	0	368.403	1.527	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]C[C@H](C)CS(C)(=O)=O	ZINC001167992318	819422753	/nfs/dbraw/zinc/42/27/53/819422753.db2.gz	VTFTUHPMBYSLMF-JYJNAYRXSA-N	1	0	360.520	1.134	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C#CC2CC2)[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1	ZINC000983788652	819513391	/nfs/dbraw/zinc/51/33/91/819513391.db2.gz	UKMKHFRGQBDXOV-NEPXVJNWSA-N	1	0	359.514	1.873	20	30		FDEDRO
CNC(=O)NC1CN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1	ZINC000328705884	819538115	/nfs/dbraw/zinc/53/81/15/819538115.db2.gz	PLLMXBOUKLOOEE-UHFFFAOYSA-N	1	0	367.494	1.001	20	30		FDEDRO
O=C(CCC(=O)N1CCOCC1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000328976349	819603166	/nfs/dbraw/zinc/60/31/66/819603166.db2.gz	WLEFINUGOBITIB-SJORKVTESA-N	1	0	367.490	1.350	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)N2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)CC1	ZINC000328981536	819603991	/nfs/dbraw/zinc/60/39/91/819603991.db2.gz	RUQXKGORQSZPIR-CVEARBPZSA-N	1	0	362.478	1.758	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)Cn2cccn2)CC[N@@H+]1Cc1ccc(OC)c(C#N)c1	ZINC001087502295	819637694	/nfs/dbraw/zinc/63/76/94/819637694.db2.gz	AAFXDAZQYRCXJW-ZWKOTPCHSA-N	1	0	367.453	1.933	20	30		FDEDRO
C[C@H](O)[C@@H]1CCN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1	ZINC000330806715	819644312	/nfs/dbraw/zinc/64/43/12/819644312.db2.gz	JCGPPQWSAVBXQT-GOEBONIOSA-N	1	0	368.522	1.230	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1CCCN(c2ccccc2OC)CC1	ZINC000895056696	819704091	/nfs/dbraw/zinc/70/40/91/819704091.db2.gz	PKQFUBISGYIFIU-UHFFFAOYSA-N	1	0	358.486	1.872	20	30		FDEDRO
COc1cccc(CN2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)c1C	ZINC001083413466	820003827	/nfs/dbraw/zinc/00/38/27/820003827.db2.gz	PIVFVQVSVLZSBJ-SJORKVTESA-N	1	0	354.410	1.179	20	30		FDEDRO
Cc1ccccc1CCC[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1	ZINC001083413292	820009194	/nfs/dbraw/zinc/00/91/94/820009194.db2.gz	HQJHRBIEOKSGKC-MOPGFXCFSA-N	1	0	352.438	1.603	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1	ZINC000937474865	820016285	/nfs/dbraw/zinc/01/62/85/820016285.db2.gz	VOFSOJGERJIRDY-AYOQOUSVSA-N	1	0	368.481	1.514	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)c(F)c1	ZINC000520547234	820062304	/nfs/dbraw/zinc/06/23/04/820062304.db2.gz	XBADIJLTCHFGPL-ZACQAIPSSA-N	1	0	371.460	1.917	20	30		FDEDRO
C[C@@H]1CN(C[C@@H](O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)C[C@@H](C)O1	ZINC000520694983	820382784	/nfs/dbraw/zinc/38/27/84/820382784.db2.gz	IXVGCFIMFOGDAA-LMMKCTJWSA-N	1	0	373.497	1.872	20	30		FDEDRO
C[C@H]1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CCN1CCO	ZINC000428168719	820921113	/nfs/dbraw/zinc/92/11/13/820921113.db2.gz	WVDVRVLLXAIJPY-HNNXBMFYSA-N	1	0	369.421	1.869	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(C#N)c2)Cc2ccccc2C1	ZINC000441921892	820985915	/nfs/dbraw/zinc/98/59/15/820985915.db2.gz	PZQZIILQYFXDFK-UHFFFAOYSA-N	1	0	362.433	1.712	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1	ZINC000442140616	821064994	/nfs/dbraw/zinc/06/49/94/821064994.db2.gz	RVYWSAMEZMJKGS-HIFRSBDPSA-N	1	0	358.442	1.883	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2CC)C1=O	ZINC001087545520	821247066	/nfs/dbraw/zinc/24/70/66/821247066.db2.gz	ONDMXSNGKXEBBQ-USXIJHARSA-N	1	0	355.442	1.256	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cnnn2CC)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087562400	821494178	/nfs/dbraw/zinc/49/41/78/821494178.db2.gz	WQEQPNSNBMNBTK-DLBZAZTESA-N	1	0	352.442	1.953	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)cc1	ZINC001168085198	828348328	/nfs/dbraw/zinc/34/83/28/828348328.db2.gz	HALAYMRKVANCLR-RTBURBONSA-N	1	0	367.453	1.456	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc(C)nnc3C)[C@H]2CC)C1=O	ZINC001087586772	821614151	/nfs/dbraw/zinc/61/41/51/821614151.db2.gz	CXXUWKQIYQWAPR-KSZLIROESA-N	1	0	371.485	1.463	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cn(C)nc2C)[C@@H]1CC	ZINC001087607206	821714951	/nfs/dbraw/zinc/71/49/51/821714951.db2.gz	QWCIBMJHTCMBAQ-OTWHNJEPSA-N	1	0	357.502	1.295	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)cn2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087663681	821959772	/nfs/dbraw/zinc/95/97/72/821959772.db2.gz	XYVMQGVLXVHQFL-PKOBYXMFSA-N	1	0	364.449	1.415	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000984261200	822002286	/nfs/dbraw/zinc/00/22/86/822002286.db2.gz	PEULMCYAGYATKR-XOKHGSTOSA-N	1	0	357.458	1.290	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)n2C)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087687353	822042691	/nfs/dbraw/zinc/04/26/91/822042691.db2.gz	YNOGDOXNMSVVQZ-DLBZAZTESA-N	1	0	352.438	1.760	20	30		FDEDRO
Cn1c(=O)[nH]c(=O)c2cc(C(=O)NCC[N@H+](C)C3CCCCC3)cnc21	ZINC000328876154	822064557	/nfs/dbraw/zinc/06/45/57/822064557.db2.gz	GFQJFJOHCRGNDJ-UHFFFAOYSA-N	1	0	359.430	1.603	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnc(C)n3C)[C@H]2CC)C1=O	ZINC001087701803	822114668	/nfs/dbraw/zinc/11/46/68/822114668.db2.gz	NTQWCCYUQUAAID-ARFHVFGLSA-N	1	0	359.474	1.098	20	30		FDEDRO
C=C1CCC(C(=O)N[C@H]2CCN(CC(=O)N3CCOCC3)[C@@H]2CC)CC1	ZINC001087713975	822171260	/nfs/dbraw/zinc/17/12/60/822171260.db2.gz	XZSGQVNUWSQWFY-ZWKOTPCHSA-N	1	0	363.502	1.561	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCNC2=O)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087723611	822217857	/nfs/dbraw/zinc/21/78/57/822217857.db2.gz	WXJFFSCJLDIONR-UEXGIBASSA-N	1	0	353.466	1.533	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1	ZINC000984353641	822425516	/nfs/dbraw/zinc/42/55/16/822425516.db2.gz	VWBYSRHDIZNJNX-KSZLIROESA-N	1	0	363.502	1.369	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCCN3CCCC3=O)[C@@H]2CC)nc1	ZINC001087802518	822462228	/nfs/dbraw/zinc/46/22/28/822462228.db2.gz	VGUROKRCELRKKJ-PKOBYXMFSA-N	1	0	368.481	1.658	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCc4ccccc4C3)C[C@@H]2O)c[nH]1	ZINC001083417923	822523439	/nfs/dbraw/zinc/52/34/39/822523439.db2.gz	JFKDEBLSUXAMKK-KPOBHBOGSA-N	1	0	364.449	1.466	20	30		FDEDRO
Cc1ccccc1CCC[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1	ZINC001083418269	822629549	/nfs/dbraw/zinc/62/95/49/822629549.db2.gz	ASJANCOSIJXYSA-MOPGFXCFSA-N	1	0	352.438	1.603	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)C[C@@H]2O)c[nH]1	ZINC001083418759	822646440	/nfs/dbraw/zinc/64/64/40/822646440.db2.gz	ZCIKEUIHBGYYAE-MOPGFXCFSA-N	1	0	350.422	1.739	20	30		FDEDRO
N#C[C@@H](c1ccccc1)N1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1	ZINC000895600323	822664672	/nfs/dbraw/zinc/66/46/72/822664672.db2.gz	YDZCLPOTBHJUJA-OALUTQOASA-N	1	0	354.454	1.116	20	30		FDEDRO
N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)C4=COCCO4)C[C@@H]3C2)c1	ZINC001087874309	822669532	/nfs/dbraw/zinc/66/95/32/822669532.db2.gz	QUMQFSHBXZRFTN-WBVHZDCISA-N	1	0	371.412	1.866	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cc(C)no4)C[C@@H]3C2)C1=O	ZINC001087882283	822704331	/nfs/dbraw/zinc/70/43/31/822704331.db2.gz	LFIOLFLCTHZQCP-PMPSAXMXSA-N	1	0	358.442	1.164	20	30		FDEDRO
CCO/C=C/[C@@](O)(C[NH2+]Cc1cnc2c(C#N)cnn2c1)C(F)(F)F	ZINC000895708230	822707198	/nfs/dbraw/zinc/70/71/98/822707198.db2.gz	PCYCIUBYUQEDKJ-RDFMZFSFSA-N	1	0	355.320	1.534	20	30		FDEDRO
C[C@]1(C#N)CN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CCO1	ZINC000895728326	822722402	/nfs/dbraw/zinc/72/24/02/822722402.db2.gz	UZADYWKHMXFAKW-IBGZPJMESA-N	1	0	357.458	1.618	20	30		FDEDRO
C#CCSCC(=O)N1CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC1	ZINC000895776489	822740045	/nfs/dbraw/zinc/74/00/45/822740045.db2.gz	GCOZWLVVWIFHJX-UHFFFAOYSA-N	1	0	367.559	1.826	20	30		FDEDRO
C=CCOc1ccc(C[NH+]2CCC(O)(COCCO)CC2)cc1OC	ZINC000895827341	822754703	/nfs/dbraw/zinc/75/47/03/822754703.db2.gz	OCXJPTOJHWLBCF-UHFFFAOYSA-N	1	0	351.443	1.596	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2cccc(C#N)c2)C1	ZINC001029840136	828483566	/nfs/dbraw/zinc/48/35/66/828483566.db2.gz	RMBXVLFLXYWBRV-QRVBRYPASA-N	1	0	368.481	1.563	20	30		FDEDRO
Cn1cc(CC(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)s4)CC[C@@H]3C2)cn1	ZINC001087906500	823736789	/nfs/dbraw/zinc/73/67/89/823736789.db2.gz	KCWPONAKEDYRDT-CVEARBPZSA-N	1	0	369.494	1.876	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCCCCCC3)CC[C@@H]2C1	ZINC001087909288	823754698	/nfs/dbraw/zinc/75/46/98/823754698.db2.gz	HINVZOLYTODBOR-KURKYZTESA-N	1	0	360.502	1.719	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cnccc4C)C[C@@H]3C2)C1=O	ZINC001087919047	823896353	/nfs/dbraw/zinc/89/63/53/823896353.db2.gz	QXJGXXDQQNSGLO-ZIFCJYIRSA-N	1	0	368.481	1.571	20	30		FDEDRO
COc1nscc1CN1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C1	ZINC001087924804	823929570	/nfs/dbraw/zinc/92/95/70/823929570.db2.gz	JZLGBMAEGSCLIR-KGLIPLIRSA-N	1	0	371.466	1.946	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@@H]1CCO[C@@]2(CCOC2)C1)=[NH+]C1CCCCC1	ZINC000262258050	824094495	/nfs/dbraw/zinc/09/44/95/824094495.db2.gz	DGNLESLAIRGUBT-APWZRJJASA-N	1	0	366.506	1.281	20	30		FDEDRO
C[C@@H](CCC#N)C[NH2+]CC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O	ZINC000896203065	824185914	/nfs/dbraw/zinc/18/59/14/824185914.db2.gz	QVIQRMKDVXTXCL-LSDHHAIUSA-N	1	0	373.519	1.940	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([C@@H]4CCCN4C)[nH]n3)C[C@@H]2C1	ZINC001087973076	824304146	/nfs/dbraw/zinc/30/41/46/824304146.db2.gz	IIOCJYZYQSDAPF-GJYPPUQNSA-N	1	0	355.486	1.594	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C(F)(F)F)nn3C)C[C@@H]2C1	ZINC001087977167	824325973	/nfs/dbraw/zinc/32/59/73/824325973.db2.gz	SFIVJDRFAJIFRA-OLZOCXBDSA-N	1	0	354.376	1.856	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1	ZINC000984670687	824446968	/nfs/dbraw/zinc/44/69/68/824446968.db2.gz	PGOQZFUKQOWQEV-ZACQAIPSSA-N	1	0	361.486	1.123	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1CC	ZINC000984698230	824511597	/nfs/dbraw/zinc/51/15/97/824511597.db2.gz	ZTBUXEFNUXNLFO-ZCNNSNEGSA-N	1	0	367.493	1.800	20	30		FDEDRO
CO[C@@H]1C[C@@H](c2nnc(C3CC3)[nH]2)N(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1	ZINC000329032534	824539915	/nfs/dbraw/zinc/53/99/15/824539915.db2.gz	LTMAWZBTMXGBPG-FPCVCCKLSA-N	1	0	374.489	1.985	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)CC[N@@H+]1C	ZINC000329076818	824561264	/nfs/dbraw/zinc/56/12/64/824561264.db2.gz	PXSJFNZSRWKMCV-HOPMXRPOSA-N	1	0	374.489	1.211	20	30		FDEDRO
CC(=O)N1CCCC[C@@H]1C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1	ZINC000329086039	824568785	/nfs/dbraw/zinc/56/87/85/824568785.db2.gz	GPLXFDGIBFGKJN-GBESFXJTSA-N	1	0	359.470	1.979	20	30		FDEDRO
O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)c1cnc2n[nH]nc2c1	ZINC000329122024	824611396	/nfs/dbraw/zinc/61/13/96/824611396.db2.gz	QUVOOGNITLUXPJ-UHFFFAOYSA-N	1	0	358.446	1.940	20	30		FDEDRO
Cc1ccn2ncc(C(=O)NC3CC[NH+]([C@H]4CCN(C)C4=O)CC3)c2n1	ZINC000329152653	824632693	/nfs/dbraw/zinc/63/26/93/824632693.db2.gz	BIBUUQHFJLGRIJ-HNNXBMFYSA-N	1	0	356.430	1.037	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccc4c(c3)NC(=O)CO4)CC2)C1=O	ZINC000329158565	824633595	/nfs/dbraw/zinc/63/35/95/824633595.db2.gz	DNGNGSSTTCRBLY-HNNXBMFYSA-N	1	0	372.425	1.667	20	30		FDEDRO
CCC(=O)N1CCCC[C@@H]1C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1	ZINC000329168169	824639431	/nfs/dbraw/zinc/63/94/31/824639431.db2.gz	IYTGXHNZVBPJCK-HZPDHXFCSA-N	1	0	364.490	1.429	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(CO)cc1	ZINC001029480995	824672799	/nfs/dbraw/zinc/67/27/99/824672799.db2.gz	UXHUMGWPGWAJQC-WCIQWLHISA-N	1	0	356.466	1.945	20	30		FDEDRO
C[C@@H]1CCC[C@](CNC(=O)N2CC[C@]3(C2)NC(=O)N(C)C3=O)([NH+](C)C)C1	ZINC000329263465	824701772	/nfs/dbraw/zinc/70/17/72/824701772.db2.gz	ZUFXNOVVKWTIJE-JEBQAFNWSA-N	1	0	365.478	1.241	20	30		FDEDRO
O=C(NCc1noc2c1CCCC2)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000329278848	824709584	/nfs/dbraw/zinc/70/95/84/824709584.db2.gz	LIRPTJYODIGULI-IAGOWNOFSA-N	1	0	362.474	1.935	20	30		FDEDRO
Cc1cc(N2CCC[C@H](NC(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)C2=O)n(C)n1	ZINC000329297770	824720986	/nfs/dbraw/zinc/72/09/86/824720986.db2.gz	LCKASGXSTLSJSL-HOCLYGCPSA-N	1	0	374.489	1.378	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)CNC(=O)c3cccnc3)CC2)C1=O	ZINC000329335507	824742655	/nfs/dbraw/zinc/74/26/55/824742655.db2.gz	ONQCQLRNWFUDIN-HNNXBMFYSA-N	1	0	359.430	1.038	20	30		FDEDRO
C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(=O)N1CCCC1	ZINC000329349044	824749179	/nfs/dbraw/zinc/74/91/79/824749179.db2.gz	WHVPRBXZFZFNDW-USXIJHARSA-N	1	0	366.506	1.269	20	30		FDEDRO
CC(C)[N@@H+]1CCCN(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)CC1	ZINC000329364079	824756047	/nfs/dbraw/zinc/75/60/47/824756047.db2.gz	ZZESATXKROYFDT-RHSMWYFYSA-N	1	0	362.478	1.022	20	30		FDEDRO
C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)CC[N@@H+]1C	ZINC000329480355	824828380	/nfs/dbraw/zinc/82/83/80/824828380.db2.gz	CWJQVSDGYDPZAM-IXDOHACOSA-N	1	0	365.522	1.995	20	30		FDEDRO
CC(C)CN1CCO[C@@H](CNC(=O)c2nn(C)c3ccccc3c2=O)C1	ZINC000329491853	824836141	/nfs/dbraw/zinc/83/61/41/824836141.db2.gz	SYOZMGYNVJIWDQ-AWEZNQCLSA-N	1	0	358.442	1.595	20	30		FDEDRO
Cn1ncc(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)c1C#N	ZINC000474952269	824841610	/nfs/dbraw/zinc/84/16/10/824841610.db2.gz	IWPIXOUTYXLCTG-UHFFFAOYSA-N	1	0	366.469	1.624	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3cnn(CC(F)(F)F)c3)C2)CC1	ZINC000329540458	824866974	/nfs/dbraw/zinc/86/69/74/824866974.db2.gz	WOPQNSCUSYLJFE-AWEZNQCLSA-N	1	0	374.411	1.703	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(-c4cccnc4)nn3)C[C@@H]2C1	ZINC001087987355	824895979	/nfs/dbraw/zinc/89/59/79/824895979.db2.gz	GHBXBLHFLXIRGX-CVEARBPZSA-N	1	0	350.426	1.080	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC000984790024	824919880	/nfs/dbraw/zinc/91/98/80/824919880.db2.gz	KOWIVTBOKWSJCS-VDNDLQMASA-N	1	0	357.458	1.336	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)n3nnnc3C(C)(C)C)C[C@@H]2C1	ZINC001087989694	824929692	/nfs/dbraw/zinc/92/96/92/824929692.db2.gz	SGJOYEBSCUPBLW-XHSDSOJGSA-N	1	0	360.506	1.888	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC[N@H+]1CC[C@@H](C)C1	ZINC000525805721	828721738	/nfs/dbraw/zinc/72/17/38/828721738.db2.gz	KYNADFYBQOAGRG-CYBMUJFWSA-N	1	0	354.458	1.608	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3c3ccnn3CC)C[C@@H]2C1	ZINC001087999809	825057759	/nfs/dbraw/zinc/05/77/59/825057759.db2.gz	BPTJGMORNQIQBA-AJYBTWMASA-N	1	0	370.497	1.784	20	30		FDEDRO
O=C([C@H]1CCCC(=O)N1)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001088006029	825162848	/nfs/dbraw/zinc/16/28/48/825162848.db2.gz	KZESNDGTEUHMGQ-HSALFYBXSA-N	1	0	365.477	1.487	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H]2C[N@H+]([C@@H](CC)C(N)=O)CC[C@@H]2C1	ZINC001088016632	825273699	/nfs/dbraw/zinc/27/36/99/825273699.db2.gz	ODPDQVWOAMLCMY-RYRKJORJSA-N	1	0	371.481	1.909	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H]1CC	ZINC000984899081	825314292	/nfs/dbraw/zinc/31/42/92/825314292.db2.gz	MHWQAXPNXOCBNY-YESZJQIVSA-N	1	0	358.486	1.735	20	30		FDEDRO
C[C@@H]1C[C@H](CCNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CCO1	ZINC000329723635	825382727	/nfs/dbraw/zinc/38/27/27/825382727.db2.gz	CVUDZQJEICYPBF-ZACQAIPSSA-N	1	0	366.506	1.344	20	30		FDEDRO
Cc1ccc(N2CCC[C@@H](NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)nn1	ZINC000329769354	825440506	/nfs/dbraw/zinc/44/05/06/825440506.db2.gz	HSAOTSORDJXWCZ-ZACQAIPSSA-N	1	0	358.490	1.836	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)CC[N@@H+]1C	ZINC000329809070	825470349	/nfs/dbraw/zinc/47/03/49/825470349.db2.gz	PVHRTZUHCHFEHM-RHSMWYFYSA-N	1	0	362.449	1.980	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@H]1CCOC2(CCCC2)C1)=[NH+]C[C@@H]1CCCO1	ZINC000262340126	825477078	/nfs/dbraw/zinc/47/70/78/825477078.db2.gz	WVNKESUDKITVMC-HOTGVXAUSA-N	1	0	366.506	1.281	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@@H]1CCO[C@@H](C(C)(C)C)C1)=[NH+]C1CCOCC1	ZINC000262348692	825608834	/nfs/dbraw/zinc/60/88/34/825608834.db2.gz	YLGXJINRACEMIN-HZPDHXFCSA-N	1	0	368.522	1.383	20	30		FDEDRO
[NH2+]=C(NC[C@@]1(CO)C[C@@H]1c1ccccc1)N1CCN(c2ncccn2)CC1	ZINC000262352325	825707192	/nfs/dbraw/zinc/70/71/92/825707192.db2.gz	GBIRTTWZULRXPW-YLJYHZDGSA-N	1	0	366.469	1.080	20	30		FDEDRO
O=C(CC1CCN(C(=O)N[C@H]2CCn3ccnc3C2)CC1)N1CCCC1	ZINC000330195366	825724484	/nfs/dbraw/zinc/72/44/84/825724484.db2.gz	PCPSDEXTZDBNIQ-INIZCTEOSA-N	1	0	359.474	1.836	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C3CCN(C(=O)C(C)C)CC3)C[C@@H]2C1	ZINC001088061013	825727695	/nfs/dbraw/zinc/72/76/95/825727695.db2.gz	HYAAXRUQDYHTTR-MOPGFXCFSA-N	1	0	359.514	1.685	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cnn4c3nc(C)cc4C)C[C@@H]2C1	ZINC001088063124	825760852	/nfs/dbraw/zinc/76/08/52/825760852.db2.gz	OCFYPIAFFKEQRB-SJORKVTESA-N	1	0	351.454	1.763	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@@H]2CCn3ccnc3C2)CC1	ZINC000330240433	825761883	/nfs/dbraw/zinc/76/18/83/825761883.db2.gz	BKTPKQXZGOFEAR-IAGOWNOFSA-N	1	0	360.506	1.214	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1CCCn2ccnc21	ZINC000330242322	825762906	/nfs/dbraw/zinc/76/29/06/825762906.db2.gz	GDSYHSMRNNSCGM-HZPDHXFCSA-N	1	0	361.490	1.860	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1	ZINC000526088296	828828756	/nfs/dbraw/zinc/82/87/56/828828756.db2.gz	QXLHTDOWHVJJBV-AWEZNQCLSA-N	1	0	373.457	1.391	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)c3cc4n(n3)CCCO4)cn2)CC1	ZINC000330293477	825817403	/nfs/dbraw/zinc/81/74/03/825817403.db2.gz	HVOFFHJJGVPUJA-UHFFFAOYSA-N	1	0	356.430	1.317	20	30		FDEDRO
Cc1c([C@@H]2[C@H](C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC(=O)N2C)cnn1C	ZINC000330294072	825818294	/nfs/dbraw/zinc/81/82/94/825818294.db2.gz	IHBPUICUBLYRCT-IIVZCXTMSA-N	1	0	359.474	1.831	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C	ZINC000280936579	825825499	/nfs/dbraw/zinc/82/54/99/825825499.db2.gz	FVTLVQVWZXXZCQ-RHSMWYFYSA-N	1	0	360.458	1.950	20	30		FDEDRO
N#Cc1cnc(C(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)c(Cl)c1	ZINC000447680494	828831236	/nfs/dbraw/zinc/83/12/36/828831236.db2.gz	ORSZFEXJYBJKQJ-UHFFFAOYSA-N	1	0	369.812	1.702	20	30		FDEDRO
CCC[NH+]1CCC(CNC(=O)N2CCN(C)[C@H](c3nccn3C)C2)CC1	ZINC000330338712	825943044	/nfs/dbraw/zinc/94/30/44/825943044.db2.gz	VTGYTNUWJJYLIC-KRWDZBQOSA-N	1	0	362.522	1.745	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC3(C)C)[C@@H]2CC)CC1	ZINC000984990211	826007688	/nfs/dbraw/zinc/00/76/88/826007688.db2.gz	YKBUMTDRYRUEKM-OKZBNKHCSA-N	1	0	359.514	1.873	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC000984989711	826009970	/nfs/dbraw/zinc/00/99/70/826009970.db2.gz	JSXXVBBQNHRYIO-RCCFBDPRSA-N	1	0	371.485	1.870	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1CC	ZINC000985015638	826127735	/nfs/dbraw/zinc/12/77/35/826127735.db2.gz	DKYDZMZVFBSJCS-DLBZAZTESA-N	1	0	358.486	1.879	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCCN3C3CCCC3)C[C@@H]2C1	ZINC001088079003	826130249	/nfs/dbraw/zinc/13/02/49/826130249.db2.gz	IPQDGDBUJNLAOP-HBFSDRIKSA-N	1	0	359.514	1.433	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)NC(=O)NCC)C[C@H]1C(F)(F)F	ZINC001112175392	826263425	/nfs/dbraw/zinc/26/34/25/826263425.db2.gz	ZJCFVCQOUCBUHM-VXGBXAGGSA-N	1	0	364.412	1.639	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC000985067389	826272237	/nfs/dbraw/zinc/27/22/37/826272237.db2.gz	YGGWYMZRKPMBBJ-DLBZAZTESA-N	1	0	357.458	1.337	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H](NC(=O)Cn2ccnc2)[C@H]1CC	ZINC000985068797	826274557	/nfs/dbraw/zinc/27/45/57/826274557.db2.gz	XJCKUXFTODPBLF-RBUKOAKNSA-N	1	0	364.449	1.603	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccn(C)c4C)C[C@@H]3C2)C1=O	ZINC001088097026	826371805	/nfs/dbraw/zinc/37/18/05/826371805.db2.gz	LKMFEAUNEHIDSM-ZIFCJYIRSA-N	1	0	370.497	1.514	20	30		FDEDRO
CC[N@H+](CCOCCO)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000281983725	826378841	/nfs/dbraw/zinc/37/88/41/826378841.db2.gz	HUJXEQZDNMGIGT-UHFFFAOYSA-N	1	0	372.387	1.504	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(CCC(N)=O)cc3)C[C@@H]2C1	ZINC001088100562	826398271	/nfs/dbraw/zinc/39/82/71/826398271.db2.gz	RNIPHIQTHNLJDI-MOPGFXCFSA-N	1	0	353.466	1.522	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCc3cnn(CC)c3)CC[C@@H]2C1	ZINC001088113204	826445455	/nfs/dbraw/zinc/44/54/55/826445455.db2.gz	UJFCSPKIQRLYGK-WCIQWLHISA-N	1	0	372.513	1.817	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C(C4CC4)C4CC4)C[C@@H]3C2)C1=O	ZINC001088165734	826945074	/nfs/dbraw/zinc/94/50/74/826945074.db2.gz	UTCNDFFFSICIDJ-CEXWTWQISA-N	1	0	371.525	1.990	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCCS(=O)(=O)C3)C[C@@H]2C1	ZINC001088163621	826947087	/nfs/dbraw/zinc/94/70/87/826947087.db2.gz	XGULBEXFBSQYBT-KSZLIROESA-N	1	0	368.543	1.948	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C3CCC(C(=O)N(C)C)CC3)C[C@@H]2C1	ZINC001088168042	826981272	/nfs/dbraw/zinc/98/12/72/826981272.db2.gz	GGQPCSJCOQLMNO-GMNCBBECSA-N	1	0	359.514	1.685	20	30		FDEDRO
N#Cc1ncc(Br)cc1N1CC[C@H]2[C@H]1CCC[N@H+]2CCO	ZINC000897221321	827185208	/nfs/dbraw/zinc/18/52/08/827185208.db2.gz	LJIYTRVHARQUPM-UONOGXRCSA-N	1	0	351.248	1.751	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC(=O)N4)C[C@@H]3C2)c(F)c1	ZINC001088176652	827273073	/nfs/dbraw/zinc/27/30/73/827273073.db2.gz	IHKTVZRGTYAFCD-HFTRVMKXSA-N	1	0	370.428	1.256	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4[nH]cnc4CC)C[C@@H]3C2)C1=O	ZINC001088186009	827351201	/nfs/dbraw/zinc/35/12/01/827351201.db2.gz	CMQWZEYNRJQCKG-HLLBOEOZSA-N	1	0	371.485	1.153	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(CNC(N)=O)cc3)C[C@@H]2C1	ZINC001088195387	827403567	/nfs/dbraw/zinc/40/35/67/827403567.db2.gz	BBXWKMFPKAQJQO-MSOLQXFVSA-N	1	0	356.470	1.825	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c(c3)nc[nH]c4=O)C[C@@H]2C1	ZINC001088202585	827454089	/nfs/dbraw/zinc/45/40/89/827454089.db2.gz	KBGGFDSVQPGXFV-CVEARBPZSA-N	1	0	350.422	1.753	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN(C(=O)CCC)C3)C[C@@H]2C1	ZINC001088210395	827485875	/nfs/dbraw/zinc/48/58/75/827485875.db2.gz	JQJQDWYXGIDTTQ-QRVBRYPASA-N	1	0	359.514	1.829	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3CCCO[C@H]3C=C)CC2)C1	ZINC001088233923	827597320	/nfs/dbraw/zinc/59/73/20/827597320.db2.gz	DAQZKKWZHYMPDH-AQNXPRMDSA-N	1	0	360.498	1.930	20	30		FDEDRO
C=CCOCCNC(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1	ZINC000665737761	827784439	/nfs/dbraw/zinc/78/44/39/827784439.db2.gz	AWDBBWLZDQGJAJ-UHFFFAOYSA-N	1	0	374.485	1.386	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@H](O)Cc2ccccc2)CC1	ZINC000303979372	827950802	/nfs/dbraw/zinc/95/08/02/827950802.db2.gz	NAPWRPBIJCIVNN-MRXNPFEDSA-N	1	0	362.474	1.457	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(C#N)s2)C1	ZINC001029759215	828009956	/nfs/dbraw/zinc/00/99/56/828009956.db2.gz	OYYPKEYIVBUEEA-ZQIUZPCESA-N	1	0	363.483	1.704	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)Cc3ccc(C#N)cc3)cn2)CC1	ZINC000523676936	828247770	/nfs/dbraw/zinc/24/77/70/828247770.db2.gz	HNKOKUQUDZRYGD-UHFFFAOYSA-N	1	0	363.465	1.954	20	30		FDEDRO
C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)COc1ccc(C#N)cc1	ZINC000523748236	828264247	/nfs/dbraw/zinc/26/42/47/828264247.db2.gz	SWNZOCBIICRXDI-UHFFFAOYSA-N	1	0	361.442	1.669	20	30		FDEDRO
CCCC(=O)NC[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000523891952	828286764	/nfs/dbraw/zinc/28/67/64/828286764.db2.gz	UPNLIGNMDYWNBS-GOSISDBHSA-N	1	0	356.470	1.803	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)C[C@H]2CCc3ncnn32)CC1	ZINC000985662376	828864512	/nfs/dbraw/zinc/86/45/12/828864512.db2.gz	SMGGQGAUMSSARI-ZACQAIPSSA-N	1	0	359.474	1.279	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)NCC1([NH3+])CCCCCC1	ZINC000841154665	829016155	/nfs/dbraw/zinc/01/61/55/829016155.db2.gz	DHKQDYNILPUHEP-UHFFFAOYSA-N	1	0	362.405	1.834	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)n(CCC#N)n1	ZINC000527366984	829038837	/nfs/dbraw/zinc/03/88/37/829038837.db2.gz	SJOZXSRVFBCMEW-HNNXBMFYSA-N	1	0	358.446	1.131	20	30		FDEDRO
C[C@@H]1C[C@@]1(C#N)C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1	ZINC000448956289	829311227	/nfs/dbraw/zinc/31/12/27/829311227.db2.gz	YZRZBCAZPKUNHF-QRWLVFNGSA-N	1	0	354.454	1.678	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)NC[C@@H]3CC[N@@H+]3C3CCCC3)CC2)n1	ZINC000528289565	829338545	/nfs/dbraw/zinc/33/85/45/829338545.db2.gz	SSYGDCCIURLYJW-SFHVURJKSA-N	1	0	368.485	1.802	20	30		FDEDRO
CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(NC(=O)OCC)c(C#N)c1	ZINC000841197343	829351805	/nfs/dbraw/zinc/35/18/05/829351805.db2.gz	RUVGFCGFDXXQNZ-UHFFFAOYSA-N	1	0	361.402	1.181	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]Cc2cnns2)C1	ZINC001088385598	829382303	/nfs/dbraw/zinc/38/23/03/829382303.db2.gz	NUBHEYBVVBPECJ-IMJJTQAJSA-N	1	0	350.488	1.990	20	30		FDEDRO
C[C@@H]1CN(C[C@@H](O)COc2ccccc2C#N)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000528431889	829400871	/nfs/dbraw/zinc/40/08/71/829400871.db2.gz	NTHBTUZXIGEBFX-RLLQIKCJSA-N	1	0	372.513	1.256	20	30		FDEDRO
CNC(=O)CC[C@H]1CCCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O	ZINC000528502274	829429148	/nfs/dbraw/zinc/42/91/48/829429148.db2.gz	GVAIYMAXZZRFMM-MRXNPFEDSA-N	1	0	367.449	1.667	20	30		FDEDRO
N#Cc1ccc(CC(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)cn1	ZINC000528528562	829444457	/nfs/dbraw/zinc/44/44/57/829444457.db2.gz	OBBQOAYUSZUVIJ-HXUWFJFHSA-N	1	0	364.449	1.555	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]Cc2cn(C)nn2)C1	ZINC001088397648	829463275	/nfs/dbraw/zinc/46/32/75/829463275.db2.gz	NJNPWWRHPXYGIZ-SZMVWBNQSA-N	1	0	361.490	1.657	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3CCCN3CCCO)CC2)cc1	ZINC000449389303	829480437	/nfs/dbraw/zinc/48/04/37/829480437.db2.gz	RVDFRKISWURWNI-NRFANRHFSA-N	1	0	356.514	1.959	20	30		FDEDRO
C=CCOc1cccc(NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)c1	ZINC000528676689	829506510	/nfs/dbraw/zinc/50/65/10/829506510.db2.gz	NXQSJXOYPQZGRP-UHFFFAOYSA-N	1	0	373.457	1.426	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CNC(=O)c2ccccc2)C[C@H]1C(F)(F)F	ZINC001112197440	829535360	/nfs/dbraw/zinc/53/53/60/829535360.db2.gz	RZZXNYAELOCGJN-HUUCEWRRSA-N	1	0	367.371	1.419	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(c2nc3c(cc2C#N)COCC3)CC1	ZINC000450313893	829918056	/nfs/dbraw/zinc/91/80/56/829918056.db2.gz	MHRAJXAWRNJFMI-UHFFFAOYSA-N	1	0	357.458	1.016	20	30		FDEDRO
COCC[N@H+](C)CC[C@@H](NC(=O)c1cnn(C)c1C#N)c1ccccc1	ZINC000475666998	829965181	/nfs/dbraw/zinc/96/51/81/829965181.db2.gz	LWTIIGSAHWMYEP-QGZVFWFLSA-N	1	0	355.442	1.731	20	30		FDEDRO
Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000450444159	829965555	/nfs/dbraw/zinc/96/55/55/829965555.db2.gz	BPUBJDCAFMCNIJ-APWZRJJASA-N	1	0	352.438	1.808	20	30		FDEDRO
COCC[N@H+](C)CC[C@H](NC(=O)c1cnn(C)c1C#N)c1ccccc1	ZINC000475666997	829965594	/nfs/dbraw/zinc/96/55/94/829965594.db2.gz	LWTIIGSAHWMYEP-KRWDZBQOSA-N	1	0	355.442	1.731	20	30		FDEDRO
[NH2+]=C(NCCn1c2ccccc2[nH]c1=O)Nc1ccc2c(c1)OCCCO2	ZINC000262681607	830134372	/nfs/dbraw/zinc/13/43/72/830134372.db2.gz	BBQJYFGQBBEBFI-UHFFFAOYSA-N	1	0	367.409	1.918	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccc(CN2C(=O)CCC2=O)cc1	ZINC000729809503	837431016	/nfs/dbraw/zinc/43/10/16/837431016.db2.gz	LDCMRGCUAWQSDC-QGZVFWFLSA-N	1	0	354.406	1.590	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C(=O)OC)[C@@H](c2ccccc2)C1	ZINC000452003144	830501283	/nfs/dbraw/zinc/50/12/83/830501283.db2.gz	IIGQHUXUFXZBEV-NUEKZKHPSA-N	1	0	359.426	1.275	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(N2CCNC2=O)cc1	ZINC000531018563	830522829	/nfs/dbraw/zinc/52/28/29/830522829.db2.gz	QIBYYGIIVSDYOE-UHFFFAOYSA-N	1	0	358.446	1.915	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(N[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)=[NH+]C[C@@H]2C1	ZINC000305030924	830538020	/nfs/dbraw/zinc/53/80/20/830538020.db2.gz	QXXIQFVPGKEHPJ-LXTVHRRPSA-N	1	0	364.490	1.680	20	30		FDEDRO
C[NH+](C)Cc1ccoc1C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1	ZINC000986081798	830575505	/nfs/dbraw/zinc/57/55/05/830575505.db2.gz	CPLZPNSDBHQQFH-AEFFLSMTSA-N	1	0	369.465	1.675	20	30		FDEDRO
C[C@H](C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1)[NH+]1CCCCCC1	ZINC000986085301	830623261	/nfs/dbraw/zinc/62/32/61/830623261.db2.gz	ZQCZRYMYZZWYQN-RLLQIKCJSA-N	1	0	371.525	1.971	20	30		FDEDRO
C=CCc1ccc(OCC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c(OC)c1	ZINC000452391871	830643570	/nfs/dbraw/zinc/64/35/70/830643570.db2.gz	QPPKWRGBRBSGBC-KRWDZBQOSA-N	1	0	362.470	1.766	20	30		FDEDRO
C=CCn1c(CCC(C)C)nnc1N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1	ZINC000453455659	830936750	/nfs/dbraw/zinc/93/67/50/830936750.db2.gz	XPVJMBZFAYRFSN-KRWDZBQOSA-N	1	0	374.533	1.843	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)NCCCC[N@H+]2CCCC[C@H]2C)ccc1C#N	ZINC000453611858	830967513	/nfs/dbraw/zinc/96/75/13/830967513.db2.gz	SBXFUABJYMHUAU-CQSZACIVSA-N	1	0	357.458	1.971	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)ccc1C#N	ZINC000453658086	830988582	/nfs/dbraw/zinc/98/85/82/830988582.db2.gz	WSAYMFAYMLACQT-UHFFFAOYSA-N	1	0	355.442	1.677	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)NC2CC[NH+](CCOC(C)C)CC2)c1	ZINC000453697482	831010994	/nfs/dbraw/zinc/01/09/94/831010994.db2.gz	NVWBAHMQSLOANY-UHFFFAOYSA-N	1	0	372.469	1.811	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N(C)CCC[N@H+](C)Cc2ccco2)ccc1C#N	ZINC000453765838	831060432	/nfs/dbraw/zinc/06/04/32/831060432.db2.gz	ZOIXLBUCCPUDFJ-UHFFFAOYSA-N	1	0	369.425	1.774	20	30		FDEDRO
CC(C)(C#N)c1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCCO)cc1	ZINC000453802711	831103512	/nfs/dbraw/zinc/10/35/12/831103512.db2.gz	DODJCXYMYYPWCR-QGZVFWFLSA-N	1	0	372.469	1.389	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)C(C)(C)C=C)CC[C@@H]3C2)CC1	ZINC000986245363	831355405	/nfs/dbraw/zinc/35/54/05/831355405.db2.gz	IXIGCGLRNAFXLD-MOPGFXCFSA-N	1	0	371.525	1.851	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)CC[C@@H]2C1	ZINC000986320334	831483642	/nfs/dbraw/zinc/48/36/42/831483642.db2.gz	GSINEIIRJYGBNO-CEXWTWQISA-N	1	0	357.498	1.581	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc(Cl)cn1)C2	ZINC001112536894	831611816	/nfs/dbraw/zinc/61/18/16/831611816.db2.gz	FVHSCBOVTXZRON-YJBOKZPZSA-N	1	0	366.893	1.957	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@H]3C2)cc1	ZINC000986469906	831729253	/nfs/dbraw/zinc/72/92/53/831729253.db2.gz	CQDHDQGCGCGBLP-AABGKKOBSA-N	1	0	365.477	1.540	20	30		FDEDRO
C[N@@H+](Cc1ccc(C#N)cc1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001029964533	831933297	/nfs/dbraw/zinc/93/32/97/831933297.db2.gz	NSXZNAGZCXUOKB-QZTJIDSGSA-N	1	0	356.426	1.894	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)C#CC4CC4)CC[C@@H]3C2)CC1	ZINC000986607148	832059093	/nfs/dbraw/zinc/05/90/93/832059093.db2.gz	YRUQDHMKLOQGJT-UXHICEINSA-N	1	0	371.525	1.827	20	30		FDEDRO
C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001059734142	832112178	/nfs/dbraw/zinc/11/21/78/832112178.db2.gz	RKDRBHWHSLEJBS-IXDOHACOSA-N	1	0	351.491	1.274	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C[C@@H](O)c1ccccc1F	ZINC001088511603	832324591	/nfs/dbraw/zinc/32/45/91/832324591.db2.gz	VADQYZIKFSCYMI-PZPSRYQVSA-N	1	0	356.401	1.952	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+](C)CC2CCN(C(=O)[C@H]3OCC[C@H]3C)CC2)C1=O	ZINC001029997388	832339527	/nfs/dbraw/zinc/33/95/27/832339527.db2.gz	PZLRTXLYBPOJIG-NXHRZFHOSA-N	1	0	363.502	1.369	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1Cc1cn(C)nc1C(F)F	ZINC001088533304	832482884	/nfs/dbraw/zinc/48/28/84/832482884.db2.gz	LFTSKPPCVXJPDE-YGRLFVJLSA-N	1	0	362.384	1.950	20	30		FDEDRO
CNC(=O)c1ccc(C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)cc1	ZINC001088533440	832494442	/nfs/dbraw/zinc/49/44/42/832494442.db2.gz	SABOONXQFZNJIT-ACJLOTCBSA-N	1	0	365.437	1.639	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)C[C@H]3C=CCC3)[C@H]2C)CC1	ZINC000987307813	832804791	/nfs/dbraw/zinc/80/47/91/832804791.db2.gz	PDEXTPFJCGYOPG-AOIWGVFYSA-N	1	0	357.498	1.794	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)CC1CC[NH+](C)CC1	ZINC000987620692	833498351	/nfs/dbraw/zinc/49/83/51/833498351.db2.gz	LZDLAIIJGKPZIK-CJNGLKHVSA-N	1	0	357.458	1.337	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3ccc(CC)o3)[C@H]2C)CC1	ZINC000988848554	837702180	/nfs/dbraw/zinc/70/21/80/837702180.db2.gz	BFJFBVQECAJHJM-QAPCUYQASA-N	1	0	371.481	1.906	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@H]3CC34CCC4)[C@H]2C)CC1	ZINC000987994181	833887854	/nfs/dbraw/zinc/88/78/54/833887854.db2.gz	DSHOUUIKEISSKN-NXHRZFHOSA-N	1	0	357.498	1.627	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4cnccc4C)[C@@H]3C2)C1=O	ZINC001075901127	834742417	/nfs/dbraw/zinc/74/24/17/834742417.db2.gz	RAEQBLVSODREJN-YTQUADARSA-N	1	0	368.481	1.252	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)CC1	ZINC000245570492	835450361	/nfs/dbraw/zinc/45/03/61/835450361.db2.gz	XCMDFSQUQHEFAK-AEFFLSMTSA-N	1	0	358.490	1.281	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC=CCC3)[C@@H]2C)CC1	ZINC000988505538	835653423	/nfs/dbraw/zinc/65/34/23/835653423.db2.gz	AJWOYZSWDYQDEV-QRQLOZEOSA-N	1	0	357.498	1.794	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H](F)C(C)C)[C@@H]2C)CC1	ZINC000988506873	835661566	/nfs/dbraw/zinc/66/15/66/835661566.db2.gz	RGLAALQGMAPCTO-HYVNUMGLSA-N	1	0	351.466	1.431	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1	ZINC000246003852	835791643	/nfs/dbraw/zinc/79/16/43/835791643.db2.gz	JNRCOJYFDHAJMI-QYZOEREBSA-N	1	0	361.534	1.095	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCCCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105668834	844097853	/nfs/dbraw/zinc/09/78/53/844097853.db2.gz	ZYKUADQWVFIXAA-JYBIWHBTSA-N	1	0	366.502	1.029	20	30		FDEDRO
C=CC[C@@H](CO)NC(=O)NC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1	ZINC000455396146	836034480	/nfs/dbraw/zinc/03/44/80/836034480.db2.gz	CYLVUWGOOUGDDL-IBGZPJMESA-N	1	0	374.485	1.846	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1CN(CC(=O)N(C)[C@H](C)CC(C)C)C[C@H]1OC	ZINC001212024136	836303923	/nfs/dbraw/zinc/30/39/23/836303923.db2.gz	KSQFZFIXJIJHRR-BRWVUGGUSA-N	1	0	353.507	1.661	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCc2ccccc2)C[C@H]1OC	ZINC001212024627	836307556	/nfs/dbraw/zinc/30/75/56/836307556.db2.gz	ZTVIFDNYZLARPI-IPMKNSEASA-N	1	0	362.470	1.346	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@H]1OC	ZINC001212032943	836320315	/nfs/dbraw/zinc/32/03/15/836320315.db2.gz	AEMRKWAUYFJJLM-IEBWSBKVSA-N	1	0	360.454	1.182	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H](Cc2ccccc2)OC)C[C@H]1OC	ZINC001212032240	836347041	/nfs/dbraw/zinc/34/70/41/836347041.db2.gz	QVTHRJWSGQAJQO-GUDVDZBRSA-N	1	0	362.470	1.262	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C[C@H]3CCNC(=O)CC3)[C@@H]2C)cc1	ZINC001088787040	844171810	/nfs/dbraw/zinc/17/18/10/844171810.db2.gz	NNXRKRXBVAYZAZ-SUMDDJOVSA-N	1	0	353.466	1.777	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccnc3ccnn32)CCN1CC#Cc1ccccc1	ZINC001088617077	836930860	/nfs/dbraw/zinc/93/08/60/836930860.db2.gz	XGRGAHLGUUSEIQ-AEFFLSMTSA-N	1	0	359.433	1.974	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C[C@H]2CCNC2=O)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088617816	837009359	/nfs/dbraw/zinc/00/93/59/837009359.db2.gz	ADHRKLGRDGMTFX-KYJSFNMBSA-N	1	0	370.453	1.194	20	30		FDEDRO
CN1CC[C@H](CC(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)C1=O	ZINC001075920568	837041023	/nfs/dbraw/zinc/04/10/23/837041023.db2.gz	KYQQYVUYMRLMBQ-CEXWTWQISA-N	1	0	366.465	1.459	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CCOC)C3)[C@H]2C(C)C)nc1	ZINC001105669573	844259536	/nfs/dbraw/zinc/25/95/36/844259536.db2.gz	SPWSXVOQBZVNGN-ANTGDGSKSA-N	1	0	371.481	1.289	20	30		FDEDRO
C[NH+]=C(N[C@@H]1C[C@H]1C1CCCCC1)N1CCN(CCC(=O)N(C)C)CC1	ZINC000261971676	837380058	/nfs/dbraw/zinc/38/00/58/837380058.db2.gz	MYSJYJUZOJJLNZ-ZWKOTPCHSA-N	1	0	363.550	1.627	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)[C@H]2C)cn1	ZINC000989023492	838138324	/nfs/dbraw/zinc/13/83/24/838138324.db2.gz	DNGCEKFCXIFIBQ-QAPCUYQASA-N	1	0	366.465	1.411	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)[C@H]2C)c1	ZINC000989053424	838238188	/nfs/dbraw/zinc/23/81/88/838238188.db2.gz	YIQJGGIFABDWNP-KYJSFNMBSA-N	1	0	354.454	1.124	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)C2)CC1	ZINC000938095973	838330920	/nfs/dbraw/zinc/33/09/20/838330920.db2.gz	AZTIDDGMFSZUEB-LWYYNNOASA-N	1	0	371.525	1.875	20	30		FDEDRO
CN1CCC[C@@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)CSCC#N)C3)C1=O	ZINC001112264882	844317118	/nfs/dbraw/zinc/31/71/18/844317118.db2.gz	WGSFQDTYIUWYRL-DAYGRLMNSA-N	1	0	364.515	1.082	20	30		FDEDRO
C[NH+](C)CCNC(=O)Cn1cc(NC(=O)Nc2cccc(CC#N)c2)cn1	ZINC000455922433	844321653	/nfs/dbraw/zinc/32/16/53/844321653.db2.gz	QSPSDQBNEPTXNC-UHFFFAOYSA-N	1	0	369.429	1.271	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Nc1nc(Cc2ccc(F)cc2)no1	ZINC000455646099	838415682	/nfs/dbraw/zinc/41/56/82/838415682.db2.gz	XAKFLICZZUBGLW-UHFFFAOYSA-N	1	0	374.420	1.921	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCc2cnn(CC)c2)[C@@H]1C	ZINC001088631346	838603518	/nfs/dbraw/zinc/60/35/18/838603518.db2.gz	GKNANUUYNFPSDG-NEWSRXKRSA-N	1	0	357.502	1.122	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C)cc1	ZINC000989214940	838730399	/nfs/dbraw/zinc/73/03/99/838730399.db2.gz	FRNANRHMAQBOLN-QAPCUYQASA-N	1	0	351.450	1.483	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC[C@@H]1C	ZINC000459925167	839090111	/nfs/dbraw/zinc/09/01/11/839090111.db2.gz	HNSOFUAWEKVONE-IRXDYDNUSA-N	1	0	370.497	1.953	20	30		FDEDRO
CC1([NH3+])CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1	ZINC000667513376	844464111	/nfs/dbraw/zinc/46/41/11/844464111.db2.gz	SORAUGGTIDDBQI-UHFFFAOYSA-N	1	0	362.433	1.760	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CN(C)C(=O)OC(C)(C)C)c1C#N	ZINC000760305910	839770825	/nfs/dbraw/zinc/77/08/25/839770825.db2.gz	HECPZTFAMHATHV-UHFFFAOYSA-N	1	0	350.423	1.239	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)c1C#N	ZINC000760306845	839778926	/nfs/dbraw/zinc/77/89/26/839778926.db2.gz	MFGZQAZDXDOYJS-LJQANCHMSA-N	1	0	367.409	1.544	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CNC(=O)OCc2ccccc2)c1C#N	ZINC000760309506	839781273	/nfs/dbraw/zinc/78/12/73/839781273.db2.gz	IMRKHMMUCHBXSZ-UHFFFAOYSA-N	1	0	370.413	1.298	20	30		FDEDRO
C=CCCC1(C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)CC1	ZINC000476099130	839798506	/nfs/dbraw/zinc/79/85/06/839798506.db2.gz	ZPSXFYQWPPTKAY-UHFFFAOYSA-N	1	0	371.485	1.708	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(c3nc(C(C)C)cc(=O)[nH]3)C2)CC1	ZINC000888231106	839960419	/nfs/dbraw/zinc/96/04/19/839960419.db2.gz	MALUKVYLCLOAEI-INIZCTEOSA-N	1	0	371.485	1.346	20	30		FDEDRO
C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCC1	ZINC001105560865	839971689	/nfs/dbraw/zinc/97/16/89/839971689.db2.gz	DRTKYIQPZANAQF-BBWFWOEESA-N	1	0	363.502	1.736	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)[C@@H](C)C[N@@H+]1C	ZINC000476161987	840051715	/nfs/dbraw/zinc/05/17/15/840051715.db2.gz	NQSNHBPBMOCZFR-VKJFTORMSA-N	1	0	354.454	1.600	20	30		FDEDRO
N=C(Nc1ccc(S(=O)(=O)NC2CC[NH2+]CC2)cc1)c1nccs1	ZINC001168283900	840124369	/nfs/dbraw/zinc/12/43/69/840124369.db2.gz	LIBHOGLHOMTVGP-UHFFFAOYSA-N	1	0	365.484	1.210	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(=O)[nH]n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105590549	840127869	/nfs/dbraw/zinc/12/78/69/840127869.db2.gz	LSDPRTZOWZKPKB-FXRXJOCMSA-N	1	0	360.458	1.338	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105594016	840387193	/nfs/dbraw/zinc/38/71/93/840387193.db2.gz	KGTWMICORUVABI-HNBVOPMISA-N	1	0	360.502	1.815	20	30		FDEDRO
C#C[C@@H](NC(=O)C1C[NH+]([C@H]2CCOC2)C1)c1ccc(Br)cc1	ZINC000897873665	840526716	/nfs/dbraw/zinc/52/67/16/840526716.db2.gz	UECSAXKAEMWQML-JKSUJKDBSA-N	1	0	363.255	1.960	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN(C)C(C)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105601364	841031457	/nfs/dbraw/zinc/03/14/57/841031457.db2.gz	XIZIHQCILXQDHC-LMSBXDPUSA-N	1	0	371.909	1.183	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnc(F)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105603088	841163311	/nfs/dbraw/zinc/16/33/11/841163311.db2.gz	DFHHTRBHWJZGTM-ZTRFORPCSA-N	1	0	359.445	1.824	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105603263	841168784	/nfs/dbraw/zinc/16/87/84/841168784.db2.gz	HDCHMLZHELJBHR-PHXBYCTMSA-N	1	0	360.502	1.966	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105603261	841168832	/nfs/dbraw/zinc/16/88/32/841168832.db2.gz	HDCHMLZHELJBHR-DLVXIWMQSA-N	1	0	360.502	1.966	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCOCC(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105603452	841170143	/nfs/dbraw/zinc/17/01/43/841170143.db2.gz	KKDSZJCOVBZILG-LFGUQSLTSA-N	1	0	350.503	1.648	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CNC(=O)CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105603469	841170310	/nfs/dbraw/zinc/17/03/10/841170310.db2.gz	KMTVMERHJPXEKV-DTDBQYNISA-N	1	0	371.909	1.231	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105603647	841178757	/nfs/dbraw/zinc/17/87/57/841178757.db2.gz	NFLAXEKTCDFPDM-JYBIWHBTSA-N	1	0	350.503	1.793	20	30		FDEDRO
C=CCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3nccn3C)C2)[C@H]1C(C)C	ZINC001105603713	841178889	/nfs/dbraw/zinc/17/88/89/841178889.db2.gz	OMAGGVDHPUIIIF-SMOSDQRPSA-N	1	0	360.502	1.852	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCOCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105604328	841183404	/nfs/dbraw/zinc/18/34/04/841183404.db2.gz	SXMHKGSGNMMQPV-LFGUQSLTSA-N	1	0	350.503	1.793	20	30		FDEDRO
C=CCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC3CC3)C2)[C@@H]1C(C)C	ZINC001105606334	841205127	/nfs/dbraw/zinc/20/51/27/841205127.db2.gz	CGYZZWSBGHPRBJ-YKCBXCCJSA-N	1	0	363.502	1.197	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)COC(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105607740	841233840	/nfs/dbraw/zinc/23/38/40/841233840.db2.gz	WYZGFUPJVJWWAQ-IZBJGVDFSA-N	1	0	368.518	1.580	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncoc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105610013	841539839	/nfs/dbraw/zinc/53/98/39/841539839.db2.gz	FZQNPHBHUUMNDQ-YZDADXEPSA-N	1	0	359.470	1.840	20	30		FDEDRO
C=CCOCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCOCC)C2)[C@H]1C(C)C	ZINC001105610453	841630305	/nfs/dbraw/zinc/63/03/05/841630305.db2.gz	KMFJFHVJUOBDJZ-LFGUQSLTSA-N	1	0	368.518	1.582	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3CCOCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105610995	841735510	/nfs/dbraw/zinc/73/55/10/841735510.db2.gz	OGHVKPMLBFBOBP-QCFAMHMHSA-N	1	0	362.514	1.793	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncoc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105611508	841883499	/nfs/dbraw/zinc/88/34/99/841883499.db2.gz	SBNVPURHGZXPAP-YZDADXEPSA-N	1	0	359.470	1.840	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CNC(=O)CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105614438	842227745	/nfs/dbraw/zinc/22/77/45/842227745.db2.gz	HGSNFLSLJKPEET-VVWQDTPRSA-N	1	0	351.491	1.055	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cc(C)n[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105615597	842231084	/nfs/dbraw/zinc/23/10/84/842231084.db2.gz	YNVRPBQWCWWPBJ-HNBVOPMISA-N	1	0	360.502	1.803	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cccnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105618762	842234407	/nfs/dbraw/zinc/23/44/07/842234407.db2.gz	ALYDPACIAQQJHW-RMVXJAJNSA-N	1	0	355.482	1.614	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@H]1C(C)C	ZINC001105619032	842235193	/nfs/dbraw/zinc/23/51/93/842235193.db2.gz	DTUSIDNWXJSOER-LFGUQSLTSA-N	1	0	350.503	1.793	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnnc(C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105619396	842237957	/nfs/dbraw/zinc/23/79/57/842237957.db2.gz	KGOUQWJFUHRVNY-XSYGEPLQSA-N	1	0	358.486	1.941	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3coc(CC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619999	842241153	/nfs/dbraw/zinc/24/11/53/842241153.db2.gz	VABKZTOYJNODPP-ODZKNYGOSA-N	1	0	359.470	1.840	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3ncc[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105622423	842246839	/nfs/dbraw/zinc/24/68/39/842246839.db2.gz	AMRRMLMJDYXCRN-XNFNUYLZSA-N	1	0	360.502	1.885	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3CN(C(C)=O)C3)[C@H]2C(C)C)C[C@H]1O	ZINC001105626540	842256983	/nfs/dbraw/zinc/25/69/83/842256983.db2.gz	COBJOBDZISLYCH-XSYGEPLQSA-N	1	0	363.502	1.007	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3CN(C(C)=O)C3)[C@H]2C(C)C)C[C@H]1O	ZINC001105626537	842257001	/nfs/dbraw/zinc/25/70/01/842257001.db2.gz	COBJOBDZISLYCH-FTEYMNFISA-N	1	0	363.502	1.007	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C)nn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105626920	842258507	/nfs/dbraw/zinc/25/85/07/842258507.db2.gz	JIXUPSSEXIOSHJ-XSYGEPLQSA-N	1	0	356.470	1.388	20	30		FDEDRO
COCCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C#CC3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105628805	842262145	/nfs/dbraw/zinc/26/21/45/842262145.db2.gz	YHZYGSKNGQOECG-VURPSTOHSA-N	1	0	362.514	1.793	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCOCC3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105631362	842263987	/nfs/dbraw/zinc/26/39/87/842263987.db2.gz	AHAOHBBXBPNMHD-RMVXJAJNSA-N	1	0	362.514	1.793	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@H]1C(C)C	ZINC001105631574	842264600	/nfs/dbraw/zinc/26/46/00/842264600.db2.gz	DVYCSRZJGRWWQW-CIWUYKSXSA-N	1	0	352.519	1.937	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CC)C3)[C@H]2C(C)C)CCOCC1	ZINC001105636776	842268519	/nfs/dbraw/zinc/26/85/19/842268519.db2.gz	DANRUMFFABXPJB-NEYJZJCJSA-N	1	0	362.514	1.793	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)ncn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105636857	842269008	/nfs/dbraw/zinc/26/90/08/842269008.db2.gz	FLDNBMSHEDNYPD-ZTRFORPCSA-N	1	0	358.486	1.332	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)C(N)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105637175	842270030	/nfs/dbraw/zinc/27/00/30/842270030.db2.gz	KVRBMEVVWMJCIR-DICRZQGBSA-N	1	0	365.518	1.430	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cnccc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637640	842272916	/nfs/dbraw/zinc/27/29/16/842272916.db2.gz	SZJRQLPWKIRSLH-UGESXGAOSA-N	1	0	369.509	1.922	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3c[nH]cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637874	842274326	/nfs/dbraw/zinc/27/43/26/842274326.db2.gz	WTWIKJYORWSONG-HNBVOPMISA-N	1	0	358.486	1.332	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@@H]1C(C)C	ZINC001105633412	842282230	/nfs/dbraw/zinc/28/22/30/842282230.db2.gz	UFWZIOASDPMCBV-GNSPCKGOSA-N	1	0	351.491	1.040	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3ccncn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105633951	842283419	/nfs/dbraw/zinc/28/34/19/842283419.db2.gz	YCADYRLJGSFJQB-UKAVVXHISA-N	1	0	370.497	1.399	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)N(C)C)C2)[C@@H]1C(C)C	ZINC001105645918	842392583	/nfs/dbraw/zinc/39/25/83/842392583.db2.gz	DWRBGOHLMSNFLX-UOSKARGWSA-N	1	0	365.518	1.253	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(C)(C)COC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105645592	842395675	/nfs/dbraw/zinc/39/56/75/842395675.db2.gz	BUPBXFYHMBBHNC-QQTQMKHKSA-N	1	0	350.503	1.648	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@H]1C(C)C	ZINC001105647678	842414762	/nfs/dbraw/zinc/41/47/62/842414762.db2.gz	SVDGKRLMHNSYNU-WOCWXWTJSA-N	1	0	352.519	1.937	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCOCCO)C2)[C@@H]1C(C)C	ZINC001105648323	842419811	/nfs/dbraw/zinc/41/98/11/842419811.db2.gz	XZOUPUCDUYBCKM-WWNBULGVSA-N	1	0	368.518	1.174	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCF)[C@H]2C(C)C)C[C@H]1O	ZINC001105651877	842444915	/nfs/dbraw/zinc/44/49/15/842444915.db2.gz	JKJKUCZEZKMIMW-ZAWLATJESA-N	1	0	354.466	1.352	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C3)[C@@H]2C(C)C)CC1	ZINC001105657031	842490178	/nfs/dbraw/zinc/49/01/78/842490178.db2.gz	VELPKQHYUOOGJW-UOSKARGWSA-N	1	0	363.502	1.184	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ocnc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105656299	842492516	/nfs/dbraw/zinc/49/25/16/842492516.db2.gz	ORQMJOHBIORGKU-CIWUYKSXSA-N	1	0	359.470	1.840	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105659133	842501587	/nfs/dbraw/zinc/50/15/87/842501587.db2.gz	MTZGCMUQKGDGAV-XCJLJZCSSA-N	1	0	355.482	1.993	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105660375	842531794	/nfs/dbraw/zinc/53/17/94/842531794.db2.gz	UIOPKNUEDRSOCK-BNDYYXHWSA-N	1	0	355.482	1.993	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCn3cccc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105661211	842677277	/nfs/dbraw/zinc/67/72/77/842677277.db2.gz	GAJQEAODLMKLPA-UKAVVXHISA-N	1	0	357.498	1.868	20	30		FDEDRO
C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1	ZINC000460804104	842848344	/nfs/dbraw/zinc/84/83/44/842848344.db2.gz	HWXVOKVPKJQASO-ZWKOTPCHSA-N	1	0	374.533	1.574	20	30		FDEDRO
CO[C@@]1(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCOC1	ZINC000460996261	842920302	/nfs/dbraw/zinc/92/03/02/842920302.db2.gz	KPFJDEBUFGYKGZ-HXUWFJFHSA-N	1	0	372.469	1.581	20	30		FDEDRO
CO[C@]1(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCOC1	ZINC000460996260	842920490	/nfs/dbraw/zinc/92/04/90/842920490.db2.gz	KPFJDEBUFGYKGZ-FQEVSTJZSA-N	1	0	372.469	1.581	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)CN4CCCCC4=O)[C@@H]3C2)c1	ZINC001075983376	843228856	/nfs/dbraw/zinc/22/88/56/843228856.db2.gz	FNIKNOPASNLNTQ-RBUKOAKNSA-N	1	0	366.465	1.603	20	30		FDEDRO
C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C)n1cnc(C#N)n1	ZINC000913100638	861415723	/nfs/dbraw/zinc/41/57/23/861415723.db2.gz	TUVAQVZTCSCPAM-BFYDXBDKSA-N	1	0	352.442	1.738	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3[nH]cnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667687	843682099	/nfs/dbraw/zinc/68/20/99/843682099.db2.gz	DBWGVBKAJZOPBI-LFGUQSLTSA-N	1	0	360.502	1.803	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)[C@H]1CCCO1	ZINC000842161968	845109871	/nfs/dbraw/zinc/10/98/71/845109871.db2.gz	DNTHZZZCNKKRMC-GBESFXJTSA-N	1	0	365.433	1.253	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCOCCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105674275	845473800	/nfs/dbraw/zinc/47/38/00/845473800.db2.gz	VIZXNYQFGBFKGN-JYBIWHBTSA-N	1	0	368.518	1.582	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCF)C2)[C@H]1C(C)C	ZINC001105674731	845527219	/nfs/dbraw/zinc/52/72/19/845527219.db2.gz	JHMJLNYJLOXMSJ-RWQQGDIJSA-N	1	0	356.482	1.905	20	30		FDEDRO
Cn1cc(C[NH2+]C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1C#N	ZINC000480653315	845581171	/nfs/dbraw/zinc/58/11/71/845581171.db2.gz	ONEUBKNWMNGKPG-MRXNPFEDSA-N	1	0	354.410	1.311	20	30		FDEDRO
C[N@@H+]1CCC[C@](O)(CC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)C1	ZINC000913162374	861606892	/nfs/dbraw/zinc/60/68/92/861606892.db2.gz	KRUUCTCNNFZKKZ-IBGZPJMESA-N	1	0	357.454	1.527	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1	ZINC000899179776	845913454	/nfs/dbraw/zinc/91/34/54/845913454.db2.gz	RAJQNDYSBMUDGL-UHFFFAOYSA-N	1	0	372.444	1.457	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nonc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105676596	845975905	/nfs/dbraw/zinc/97/59/05/845975905.db2.gz	XJSKSPRGCDEWOW-RRIFGTCXSA-N	1	0	362.474	1.924	20	30		FDEDRO
Cc1noc(C(C)C)c1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1O	ZINC001083542693	847321548	/nfs/dbraw/zinc/32/15/48/847321548.db2.gz	KPQMWWWPBUECLG-SJORKVTESA-N	1	0	368.437	1.953	20	30		FDEDRO
CN1C(=O)CC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001076163567	847456771	/nfs/dbraw/zinc/45/67/71/847456771.db2.gz	GQXMNKWYABGWOB-RCCFBDPRSA-N	1	0	352.438	1.212	20	30		FDEDRO
C#CCCN1CCN(C(=O)[C@@H](C)[C@H](O)CN(C)C(=O)OC(C)(C)C)CC1	ZINC000900474645	847521303	/nfs/dbraw/zinc/52/13/03/847521303.db2.gz	SUOYKMRTQJJDCV-JKSUJKDBSA-N	1	0	367.490	1.018	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(Cl)[nH]4)[C@@H]3C2)C1=O	ZINC001076216336	847583286	/nfs/dbraw/zinc/58/32/86/847583286.db2.gz	VGQBHNKSCDKROK-NWANDNLSSA-N	1	0	362.861	1.601	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccnc(N(C)C)c3)C[C@H]21	ZINC001076262812	847719915	/nfs/dbraw/zinc/71/99/15/847719915.db2.gz	YTMNECQQNATISL-MANSERQUSA-N	1	0	370.497	1.771	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H](CC)C(N)=O)C[C@H]32)cc1	ZINC001076333465	847907023	/nfs/dbraw/zinc/90/70/23/847907023.db2.gz	AZVXDVMRARSZOP-CGTJXYLNSA-N	1	0	355.438	1.109	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CC[C@H]3C[N@H+](CC4CCOCC4)C[C@H]32)nn1	ZINC001076345011	847920535	/nfs/dbraw/zinc/92/05/35/847920535.db2.gz	KCJHYVHSEZMHHD-FUHWJXTLSA-N	1	0	359.474	1.427	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cnn(CC)c4C)[C@@H]3C2)C1=O	ZINC001076392213	848033749	/nfs/dbraw/zinc/03/37/49/848033749.db2.gz	OXBRLDAQYXPYBZ-RYQLBKOJSA-N	1	0	371.485	1.145	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(OC)o4)[C@@H]3C2)C1=O	ZINC001076393712	848035521	/nfs/dbraw/zinc/03/55/21/848035521.db2.gz	STAVRWIXSMEVFO-SOUVJXGZSA-N	1	0	359.426	1.221	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ncoc4C4CC4)[C@@H]3C2)C1=O	ZINC001076429449	848116472	/nfs/dbraw/zinc/11/64/72/848116472.db2.gz	QYGXFPJQMHAOAU-HRCADAONSA-N	1	0	370.453	1.485	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc5c([nH]4)CCC5)[C@@H]3C2)C1=O	ZINC001076450824	848160450	/nfs/dbraw/zinc/16/04/50/848160450.db2.gz	QBXWEBLRESOMHE-KFKAGJAMSA-N	1	0	368.481	1.437	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21	ZINC001076504802	848304384	/nfs/dbraw/zinc/30/43/84/848304384.db2.gz	RYCVCKMYFSFOEI-XUVXKRRUSA-N	1	0	365.477	1.364	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(Cc4nnc(CC)o4)C[C@H]32)CC1	ZINC001076604420	848552796	/nfs/dbraw/zinc/55/27/96/848552796.db2.gz	DVQFWSFJKCMVJP-DLBZAZTESA-N	1	0	371.485	1.010	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)C[N@H+](C)C1CCC1	ZINC001076707174	848814521	/nfs/dbraw/zinc/81/45/21/848814521.db2.gz	OZFHNEFMNZOOHB-IEZWGBDMSA-N	1	0	365.518	1.853	20	30		FDEDRO
CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1)c1ccccc1	ZINC001076856069	849215206	/nfs/dbraw/zinc/21/52/06/849215206.db2.gz	ZXUGKQNHGXLJHN-KURKYZTESA-N	1	0	354.410	1.049	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1O	ZINC001077019201	849553682	/nfs/dbraw/zinc/55/36/82/849553682.db2.gz	MZLNJOICDIXTCH-TVFCKZIOSA-N	1	0	364.511	1.823	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1O	ZINC001077139064	849874251	/nfs/dbraw/zinc/87/42/51/849874251.db2.gz	VSVSCZLFEIDXSO-IIAWOOMASA-N	1	0	353.413	1.884	20	30		FDEDRO
CO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000483731062	849902659	/nfs/dbraw/zinc/90/26/59/849902659.db2.gz	QZVBTWUFINFOJQ-GDBMZVCRSA-N	1	0	361.446	1.051	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2CC)C[C@H]1O	ZINC001077158562	849952183	/nfs/dbraw/zinc/95/21/83/849952183.db2.gz	LRKIGFXOGOVMGG-HSALFYBXSA-N	1	0	355.482	1.008	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)C[C@H]1O	ZINC001077159029	849954390	/nfs/dbraw/zinc/95/43/90/849954390.db2.gz	KRIACEGETKSLKG-CEXWTWQISA-N	1	0	359.514	1.216	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCC(F)(F)CC2)C[C@H]1O	ZINC001077159172	849955448	/nfs/dbraw/zinc/95/54/48/849955448.db2.gz	RWARCPGRKMGXMI-IXDOHACOSA-N	1	0	369.456	1.071	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1O	ZINC001077247362	850239880	/nfs/dbraw/zinc/23/98/80/850239880.db2.gz	VIADXVIOQBYCNJ-CGTJXYLNSA-N	1	0	360.454	1.453	20	30		FDEDRO
COC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000904477911	851250531	/nfs/dbraw/zinc/25/05/31/851250531.db2.gz	ZNYLDLFFTMMLMJ-LBPRGKRZSA-N	1	0	353.220	1.773	20	30		FDEDRO
C=C1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H](O)CN3CCCC3=O)[C@@H]2C)CC1	ZINC001088838403	851369996	/nfs/dbraw/zinc/36/99/96/851369996.db2.gz	HRFACOYVOOOLOC-NJAFHUGGSA-N	1	0	363.502	1.295	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCC(C(C)(C)C[NH3+])CC1	ZINC000904967963	851525770	/nfs/dbraw/zinc/52/57/70/851525770.db2.gz	BHUWBONTTARUMP-UHFFFAOYSA-N	1	0	362.499	1.802	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC(C(C)(C)C[NH3+])CC1)c1cccc(C#N)c1	ZINC000904967965	851526154	/nfs/dbraw/zinc/52/61/54/851526154.db2.gz	BICDABRQZWYNKA-AWEZNQCLSA-N	1	0	356.470	1.959	20	30		FDEDRO
C[C@@](O)(C[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)C(F)(F)C(F)(F)F	ZINC000905103625	851661061	/nfs/dbraw/zinc/66/10/61/851661061.db2.gz	KZJYIHOAHPYQSW-HTRCEHHLSA-N	1	0	358.229	1.688	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1	ZINC000913522851	862287653	/nfs/dbraw/zinc/28/76/53/862287653.db2.gz	BLHQPEDQRONEPN-CQSZACIVSA-N	1	0	358.829	1.246	20	30		FDEDRO
N#Cc1ccc(N[C@H]2CCCN(S(=O)(=O)CC3CC[NH2+]CC3)C2)nc1	ZINC000905361433	851861425	/nfs/dbraw/zinc/86/14/25/851861425.db2.gz	FVAZSDBWHBYDAL-INIZCTEOSA-N	1	0	363.487	1.159	20	30		FDEDRO
C#C[C@H]([NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)C1CCOCC1	ZINC000905382190	851881088	/nfs/dbraw/zinc/88/10/88/851881088.db2.gz	QZKLGAKYKPLHBL-HOTGVXAUSA-N	1	0	372.531	1.006	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Cc1csc(NC(=O)c2ccccc2)n1	ZINC000913516586	862299370	/nfs/dbraw/zinc/29/93/70/862299370.db2.gz	WTMBGVOXMMGIIB-UHFFFAOYSA-N	1	0	356.451	1.619	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)cc1	ZINC000905447679	851925908	/nfs/dbraw/zinc/92/59/08/851925908.db2.gz	SSVRQRRPEKXJAH-WCQYABFASA-N	1	0	368.302	1.640	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@H](O)Cc2ccc(F)cc2)cc1	ZINC000905474604	851948328	/nfs/dbraw/zinc/94/83/28/851948328.db2.gz	PLQWWIRPXKRKGM-RTBURBONSA-N	1	0	358.413	1.825	20	30		FDEDRO
COc1cc(C(=O)NCC#CC[NH+](C)C)cc(Br)c1OC	ZINC000913522653	862308591	/nfs/dbraw/zinc/30/85/91/862308591.db2.gz	SJUWHOCPTYDMMB-UHFFFAOYSA-N	1	0	355.232	1.761	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1	ZINC000668464406	852025178	/nfs/dbraw/zinc/02/51/78/852025178.db2.gz	BSDOBJNVZUJXNY-AEFFLSMTSA-N	1	0	364.534	1.380	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(=O)OC)cc2F)CC1	ZINC000491118123	862314890	/nfs/dbraw/zinc/31/48/90/862314890.db2.gz	BGOZSQWOBHRWBY-UHFFFAOYSA-N	1	0	363.389	1.317	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]C1CN(c2ccc(C(F)(F)F)cc2)C1	ZINC000905552721	852054939	/nfs/dbraw/zinc/05/49/39/852054939.db2.gz	OJOHSWBXERAZOT-MRXNPFEDSA-N	1	0	356.392	1.690	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCO[C@](C)(C[NH2+]C[C@H](O)CC2(C#N)CC2)C1	ZINC000905586589	852075526	/nfs/dbraw/zinc/07/55/26/852075526.db2.gz	NKJHBBUFNCDKLE-RHSMWYFYSA-N	1	0	353.463	1.657	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCN2C2CCOCC2)cc1	ZINC000905619952	852092232	/nfs/dbraw/zinc/09/22/32/852092232.db2.gz	PDQZNCRVAKAOJL-QGZVFWFLSA-N	1	0	363.483	1.175	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCc2cccc3c2OCCO3)cc1	ZINC000905617676	852115112	/nfs/dbraw/zinc/11/51/12/852115112.db2.gz	QVDLDTFFSWTRQR-UHFFFAOYSA-N	1	0	372.446	1.935	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@@H]1Cc2ccccc2[C@H]1NC(=O)OC(C)(C)C	ZINC000905653561	852121087	/nfs/dbraw/zinc/12/10/87/852121087.db2.gz	RXLMSYUAQRUSJK-SJLPKXTDSA-N	1	0	357.454	1.906	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1COC(C)(C)C1)C(C)C	ZINC000668531991	852720768	/nfs/dbraw/zinc/72/07/68/852720768.db2.gz	QMEOFFJFKNZBGJ-JKSUJKDBSA-N	1	0	351.491	1.485	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2COC[C@@H]2C1)C(C)C	ZINC000668531671	852737194	/nfs/dbraw/zinc/73/71/94/852737194.db2.gz	JNIAQVCMTSSIHC-FGTMMUONSA-N	1	0	363.502	1.296	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)COC(=O)Cc2cccc(OCC#N)c2)CC1	ZINC000760638239	862394388	/nfs/dbraw/zinc/39/43/88/862394388.db2.gz	NLVRGKVLGIDAHS-UHFFFAOYSA-N	1	0	373.453	1.664	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2ccsc2C#N)c1	ZINC000906530115	852968219	/nfs/dbraw/zinc/96/82/19/852968219.db2.gz	DEQMGRILHFKMOB-UHFFFAOYSA-N	1	0	356.451	1.841	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)CC1	ZINC000906602246	853071572	/nfs/dbraw/zinc/07/15/72/853071572.db2.gz	ZPVMDPGCILHJLO-UHFFFAOYSA-N	1	0	354.332	1.748	20	30		FDEDRO
CN1CC[N@H+](C)CC(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)C1	ZINC000906630027	853116927	/nfs/dbraw/zinc/11/69/27/853116927.db2.gz	NXTYPDCFGHVHIN-OAHLLOKOSA-N	1	0	354.376	1.880	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC1(C2CC[NH2+]CC2)CC1	ZINC000906717733	853210161	/nfs/dbraw/zinc/21/01/61/853210161.db2.gz	PJIWUSYLWQXKGW-UHFFFAOYSA-N	1	0	357.458	1.702	20	30		FDEDRO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2	ZINC000906725088	853266402	/nfs/dbraw/zinc/26/64/02/853266402.db2.gz	QOAIRVLGLMBMNP-SFDCQRBFSA-N	1	0	358.467	1.886	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)c1	ZINC000906764627	853282979	/nfs/dbraw/zinc/28/29/79/853282979.db2.gz	FKTBDYJBBFUIGH-KRWDZBQOSA-N	1	0	364.352	1.453	20	30		FDEDRO
C#Cc1ccc(S(=O)(=O)NCCC[NH+]2CCC(C(=O)OC)CC2)cc1	ZINC000906843483	853390796	/nfs/dbraw/zinc/39/07/96/853390796.db2.gz	NRRFDRFHGVNVAA-UHFFFAOYSA-N	1	0	364.467	1.221	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C#N)cn1	ZINC000906852252	853441904	/nfs/dbraw/zinc/44/19/04/853441904.db2.gz	SMBNXYYISYCLIS-UHFFFAOYSA-N	1	0	362.430	1.845	20	30		FDEDRO
C#Cc1ccc(S(=O)(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc1	ZINC000907015042	853694932	/nfs/dbraw/zinc/69/49/32/853694932.db2.gz	XQVQZPORQRSWIF-UHFFFAOYSA-N	1	0	362.495	1.933	20	30		FDEDRO
C[NH+](C)CCOCCNS(=O)(=O)c1c(C#N)sc2ccccc21	ZINC000907109876	853801409	/nfs/dbraw/zinc/80/14/09/853801409.db2.gz	DFBSPBGJCMIUIZ-UHFFFAOYSA-N	1	0	353.469	1.629	20	30		FDEDRO
C=CCN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000486215192	853995333	/nfs/dbraw/zinc/99/53/33/853995333.db2.gz	AROBOVPJNAGDPW-IIDMSEBBSA-N	1	0	354.458	1.936	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c1	ZINC000907547552	854346716	/nfs/dbraw/zinc/34/67/16/854346716.db2.gz	HAGAFKGEKANMMX-QAPCUYQASA-N	1	0	363.483	1.175	20	30		FDEDRO
C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC1CCC(Oc2ncccc2C#N)CC1	ZINC000907615027	854459751	/nfs/dbraw/zinc/45/97/51/854459751.db2.gz	PUASGFZTPXDCJM-DXCLHELWSA-N	1	0	358.442	1.215	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O	ZINC000908199917	855181923	/nfs/dbraw/zinc/18/19/23/855181923.db2.gz	XOOSEVOSLSXNDH-GOSISDBHSA-N	1	0	360.414	1.001	20	30		FDEDRO
C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](CO)C[NH+]1CCCC1	ZINC000908207303	855195477	/nfs/dbraw/zinc/19/54/77/855195477.db2.gz	WXYJMOIUUVHHNA-MRXNPFEDSA-N	1	0	370.453	1.624	20	30		FDEDRO
C#CCCCc1nnc(N2CCC([NH+]3CCN(C)CC3)CC2)n1CC=C	ZINC000908723722	855702915	/nfs/dbraw/zinc/70/29/15/855702915.db2.gz	ALGMFLDIEJOPMT-UHFFFAOYSA-N	1	0	356.518	1.636	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)Nc1cc(CNS(C)(=O)=O)ccc1OC	ZINC000909046283	856123452	/nfs/dbraw/zinc/12/34/52/856123452.db2.gz	MWNABBJKBYJEHN-UHFFFAOYSA-N	1	0	355.460	1.191	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1	ZINC000669273684	862776392	/nfs/dbraw/zinc/77/63/92/862776392.db2.gz	FLLOFIQJGJZXCJ-NXHRZFHOSA-N	1	0	363.502	1.295	20	30		FDEDRO
C=CCCCNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1	ZINC000669289135	862826988	/nfs/dbraw/zinc/82/69/88/862826988.db2.gz	WDFONOPPQPBWJE-GOSISDBHSA-N	1	0	358.486	1.001	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2ccnc3ccccc23)CC1	ZINC000668836116	857523445	/nfs/dbraw/zinc/52/34/45/857523445.db2.gz	QXWOCJIHYRFZQN-UHFFFAOYSA-N	1	0	366.465	1.660	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1	ZINC000669321921	862930163	/nfs/dbraw/zinc/93/01/63/862930163.db2.gz	YLYLCLSTVMOBOC-MRXNPFEDSA-N	1	0	374.485	1.432	20	30		FDEDRO
C[NH+](C)CC(=O)N1CCN(c2c(C#N)cnc3c(F)cc(F)cc32)CC1	ZINC000488332578	857706154	/nfs/dbraw/zinc/70/61/54/857706154.db2.gz	TZEPLOKDOXXUDS-UHFFFAOYSA-N	1	0	359.380	1.595	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)N(c1ccc(C#N)cn1)[C@@H]1CCC[NH2+]C1	ZINC000910857393	857786252	/nfs/dbraw/zinc/78/62/52/857786252.db2.gz	FGEHFSACDWWMFJ-QGZVFWFLSA-N	1	0	369.469	1.901	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CC[C@@H](Cc2nccs2)C1)C1CC[NH+](C)CC1	ZINC000910886471	857839605	/nfs/dbraw/zinc/83/96/05/857839605.db2.gz	MDGCUPNYNUHJPD-HNNXBMFYSA-N	1	0	374.510	1.090	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C	ZINC000910905072	857873289	/nfs/dbraw/zinc/87/32/89/857873289.db2.gz	AKSDCLXDDQZZNO-UHFFFAOYSA-N	1	0	350.488	1.624	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1	ZINC000911350282	858501063	/nfs/dbraw/zinc/50/10/63/858501063.db2.gz	DZKKOUYQWZZXRN-HNNXBMFYSA-N	1	0	351.491	1.451	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)cc1C#N	ZINC000911433097	858614525	/nfs/dbraw/zinc/61/45/25/858614525.db2.gz	WEKFYBXVNILEDZ-MJGOQNOKSA-N	1	0	368.481	1.864	20	30		FDEDRO
CC(C)[NH+]1CCN(CCCC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)CC1	ZINC000911869940	859057572	/nfs/dbraw/zinc/05/75/72/859057572.db2.gz	CAHCODDAKSKILB-FQEVSTJZSA-N	1	0	372.513	1.856	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](OCC)C1	ZINC000911889463	859092610	/nfs/dbraw/zinc/09/26/10/859092610.db2.gz	LGCOLCZTTBSYJQ-HZPDHXFCSA-N	1	0	369.506	1.883	20	30		FDEDRO
C=CC(=O)N(CC)CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000911921728	859111197	/nfs/dbraw/zinc/11/11/97/859111197.db2.gz	OYSRYCUXIHSLBD-UHFFFAOYSA-N	1	0	354.454	1.673	20	30		FDEDRO
CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1	ZINC000912254867	859550486	/nfs/dbraw/zinc/55/04/86/859550486.db2.gz	GUKWZIYNONSLPT-GOSISDBHSA-N	1	0	366.469	1.667	20	30		FDEDRO
CC(C)[NH+]1CCN(CCC(=O)N2CCC[C@](C#N)(c3ccccn3)C2)CC1	ZINC000912296772	859570687	/nfs/dbraw/zinc/57/06/87/859570687.db2.gz	VWFGBFZCFAOCEO-OAQYLSRUSA-N	1	0	369.513	1.881	20	30		FDEDRO
C=CCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1	ZINC000912495476	859806486	/nfs/dbraw/zinc/80/64/86/859806486.db2.gz	IXUKQVFVRYKOOB-INIZCTEOSA-N	1	0	351.397	1.933	20	30		FDEDRO
C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1cccc(C#CCO)c1	ZINC000912731301	860115771	/nfs/dbraw/zinc/11/57/71/860115771.db2.gz	RWMNEUYQCBLISZ-LJQANCHMSA-N	1	0	356.466	1.746	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3c(C)cccn3c2)C[C@H]1C	ZINC001106871929	881565110	/nfs/dbraw/zinc/56/51/10/881565110.db2.gz	WHVOVBWNWYMSLF-SJLPKXTDSA-N	1	0	368.481	1.848	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC([NH+]3CCC3)CC2)cc1	ZINC000912880359	860958106	/nfs/dbraw/zinc/95/81/06/860958106.db2.gz	BQZRGHHOJXNPGP-UHFFFAOYSA-N	1	0	361.467	1.170	20	30		FDEDRO
C#CCC1(NC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CCC1	ZINC000916435331	881630415	/nfs/dbraw/zinc/63/04/15/881630415.db2.gz	HXZFLZBNDZHOAW-UHFFFAOYSA-N	1	0	356.470	1.723	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCCC)C[C@H]1C	ZINC001105838373	863433104	/nfs/dbraw/zinc/43/31/04/863433104.db2.gz	YTEMKOOOSOMSMH-OWCLPIDISA-N	1	0	366.506	1.651	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)OCC)C[C@H]1C	ZINC001105855411	863511150	/nfs/dbraw/zinc/51/11/50/863511150.db2.gz	MRBLUDGTVFZUTL-IXDOHACOSA-N	1	0	353.507	1.520	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)c3cn[nH]c3)C[C@H]2C)c1	ZINC001105860689	863525355	/nfs/dbraw/zinc/52/53/55/863525355.db2.gz	DQNRFYRABZMDDD-RHSMWYFYSA-N	1	0	365.437	1.327	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccn3nnnc23)C[C@H]1C(F)(F)F	ZINC001112107122	863587759	/nfs/dbraw/zinc/58/77/59/863587759.db2.gz	PLOMZWIDWUFVOG-VXGBXAGGSA-N	1	0	354.336	1.293	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)/C=C(\C)C2CC2)C[C@H]1C	ZINC001105881519	863633614	/nfs/dbraw/zinc/63/36/14/863633614.db2.gz	FOXLDYUVCUXSNH-XPQPCJHHSA-N	1	0	360.502	1.789	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CNc2cncc(C#N)n2)CC[N@@H+]1C	ZINC001060315845	863763707	/nfs/dbraw/zinc/76/37/07/863763707.db2.gz	DZVSHVYSMTYOCY-IXDOHACOSA-N	1	0	356.474	1.872	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CNc2ccnc(C#N)n2)CC[N@@H+]1C	ZINC001060316078	863774651	/nfs/dbraw/zinc/77/46/51/863774651.db2.gz	LDZNHWMEPNQKLN-OWCLPIDISA-N	1	0	356.474	1.293	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C(C)C)[C@H](C)C1	ZINC001105912757	863944323	/nfs/dbraw/zinc/94/43/23/863944323.db2.gz	MIYHZMLGRXNRQG-BZUAXINKSA-N	1	0	364.494	1.419	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)[C@H](C)C1	ZINC001105923350	864034498	/nfs/dbraw/zinc/03/44/98/864034498.db2.gz	WOKKCPVYCXNZBC-MGPQQGTHSA-N	1	0	361.408	1.800	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCOC2)C[C@H]1C	ZINC001105924881	864042302	/nfs/dbraw/zinc/04/23/02/864042302.db2.gz	YYQMJHUPKURDSV-FGTMMUONSA-N	1	0	365.518	1.522	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)CCOCC)C[C@H]2C)c1	ZINC001105933087	864089961	/nfs/dbraw/zinc/08/99/61/864089961.db2.gz	JJHXNGFBWRBORI-SJLPKXTDSA-N	1	0	371.481	1.717	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2csc(NC(C)=O)n2)[C@H](C)C1	ZINC001105937596	864130220	/nfs/dbraw/zinc/13/02/20/864130220.db2.gz	BDDYOHCCCWZXHN-TZMCWYRMSA-N	1	0	366.487	1.488	20	30		FDEDRO
CC(C)CN(C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C)C(C)C	ZINC001105946294	864190356	/nfs/dbraw/zinc/19/03/56/864190356.db2.gz	PPKFCDILAYCVBV-BRWVUGGUSA-N	1	0	350.507	1.723	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)Nc2ccccc2)[C@H](C)C1	ZINC001105946396	864190567	/nfs/dbraw/zinc/19/05/67/864190567.db2.gz	SIRBSUKMBWCQLS-RBSFLKMASA-N	1	0	371.441	1.178	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C(=O)C(C)(C)C)C[C@H]1C	ZINC001105957108	864229200	/nfs/dbraw/zinc/22/92/00/864229200.db2.gz	WFUPMBXDKXDBSI-HUUCEWRRSA-N	1	0	364.490	1.048	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cnccc2C)C[C@H]1C	ZINC001105973472	864287933	/nfs/dbraw/zinc/28/79/33/864287933.db2.gz	SHKAUTIZILKUSJ-QZTJIDSGSA-N	1	0	370.497	1.888	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)COCCCC)C[C@H]1C	ZINC001105974111	864294679	/nfs/dbraw/zinc/29/46/79/864294679.db2.gz	OGWBEAUVXVJONE-QZTJIDSGSA-N	1	0	365.518	1.688	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+][C@H]2CCN(CC=C)C2=O)[C@H](C)C1	ZINC001105982553	864335885	/nfs/dbraw/zinc/33/58/85/864335885.db2.gz	RJPWZEFRYHPRPY-KURKYZTESA-N	1	0	363.502	1.440	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(C)(C)C)[C@H](C)C1	ZINC001105984277	864340050	/nfs/dbraw/zinc/34/00/50/864340050.db2.gz	CSOXHTSLOKJHHR-IXDOHACOSA-N	1	0	367.534	1.957	20	30		FDEDRO
C=C(C)C[NH+]1CCC(N2C(=O)NC3(CCC(C(=O)OC)CC3)C2=O)CC1	ZINC000761251780	864625859	/nfs/dbraw/zinc/62/58/59/864625859.db2.gz	HYLKINCAFDCAEU-UHFFFAOYSA-N	1	0	363.458	1.681	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCCO2)C[C@H]1OC	ZINC001212185403	864627314	/nfs/dbraw/zinc/62/73/14/864627314.db2.gz	UFCBEWRRUOEJBT-KZNAEPCWSA-N	1	0	352.475	1.191	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1CN([C@@H](C)C(=O)NCCC(C)C)C[C@H]1OC	ZINC001212185493	864627550	/nfs/dbraw/zinc/62/75/50/864627550.db2.gz	VDRMJUGZBGDFEG-GVDBMIGSSA-N	1	0	351.491	1.156	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCCO2)C[C@H]1C	ZINC001106012528	864645050	/nfs/dbraw/zinc/64/50/50/864645050.db2.gz	KHXTZDAXYBTPOA-KZNAEPCWSA-N	1	0	365.518	1.664	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@]2(C)CCNC2=O)CCN1CC#Cc1ccc(F)cc1	ZINC001088854957	864694764	/nfs/dbraw/zinc/69/47/64/864694764.db2.gz	IYXJVULLOINBEW-CFLQYTFWSA-N	1	0	357.429	1.282	20	30		FDEDRO
CC(C)CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC001106020287	864717866	/nfs/dbraw/zinc/71/78/66/864717866.db2.gz	AMDXTXUBGDXGHX-QLFBSQMISA-N	1	0	359.474	1.345	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2COCCN2C)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106022089	864740039	/nfs/dbraw/zinc/74/00/39/864740039.db2.gz	DOWGUKKUXWBBBO-RLLQIKCJSA-N	1	0	355.482	1.053	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]CCO[C@H]1CC1(F)F	ZINC001106027966	864865236	/nfs/dbraw/zinc/86/52/36/864865236.db2.gz	LEXFPOIQAOZQGM-KYOSRNDESA-N	1	0	352.385	1.608	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]CCO[C@@H]1CC1(F)F	ZINC001106027967	864865807	/nfs/dbraw/zinc/86/58/07/864865807.db2.gz	LEXFPOIQAOZQGM-UXIGCNINSA-N	1	0	352.385	1.608	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(COC)c2)[C@H](C)C1	ZINC001106028972	864874437	/nfs/dbraw/zinc/87/44/37/864874437.db2.gz	CAYYTODRXNZACU-VQIMIIECSA-N	1	0	371.481	1.157	20	30		FDEDRO
CCCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC001106029450	864881919	/nfs/dbraw/zinc/88/19/19/864881919.db2.gz	SDXDFQGSCUQEKE-IJEWVQPXSA-N	1	0	359.474	1.489	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1C	ZINC001106053028	865028686	/nfs/dbraw/zinc/02/86/86/865028686.db2.gz	DEXXOHBBSFRZIF-DGCLKSJQSA-N	1	0	356.268	1.261	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2ncnn2C(C)(C)C)[C@H](C)C1	ZINC001106059499	865071043	/nfs/dbraw/zinc/07/10/43/865071043.db2.gz	WSNKXZHDAMRHHV-CLCXKQKWSA-N	1	0	363.506	1.544	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2cn(C)nc2C(F)F)[C@H](C)C1	ZINC001106065096	865105807	/nfs/dbraw/zinc/10/58/07/865105807.db2.gz	PFSKSGLDLBNXMH-VFVRVIDISA-N	1	0	370.444	1.869	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccnnc2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088878579	865194176	/nfs/dbraw/zinc/19/41/76/865194176.db2.gz	DPSCJYFDROQXEF-KDOFPFPSSA-N	1	0	351.410	1.772	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C[NH2+]CC#Cc1ccc(Cl)cc1	ZINC001106073539	865302953	/nfs/dbraw/zinc/30/29/53/865302953.db2.gz	GNXCPOYFSDOLFV-GDBMZVCRSA-N	1	0	371.872	1.818	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2[nH]ccc2C)C[C@H]1C	ZINC001106074555	865361182	/nfs/dbraw/zinc/36/11/82/865361182.db2.gz	UABZWKBXRODZJG-IAGOWNOFSA-N	1	0	358.486	1.821	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](F)CCCCCC)C[C@H]1C	ZINC001106875021	881863999	/nfs/dbraw/zinc/86/39/99/881863999.db2.gz	CZDSAZQHXVXWIZ-ZACQAIPSSA-N	1	0	353.482	1.728	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CCc3cnn(CC)c3)[C@@H]2C)nn1	ZINC001088907473	865374522	/nfs/dbraw/zinc/37/45/22/865374522.db2.gz	VOIDOXNCSASWEW-ZBFHGGJFSA-N	1	0	357.462	1.116	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3sc(C)nc3C)[C@@H]2C)nn1	ZINC001088907527	865374892	/nfs/dbraw/zinc/37/48/92/865374892.db2.gz	XWCCYXZTFOIULB-OCCSQVGLSA-N	1	0	360.487	1.930	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C3CC3)s2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106875247	881865382	/nfs/dbraw/zinc/86/53/82/881865382.db2.gz	HYQFJCKTDCFJMI-TZMCWYRMSA-N	1	0	360.483	1.563	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)[C@@H]1C	ZINC001089006530	866011920	/nfs/dbraw/zinc/01/19/20/866011920.db2.gz	JYWLZBOFVFFFTJ-UZLBHIALSA-N	1	0	363.461	1.688	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3ccc(OC)cc3)[C@H]2C)C1=O	ZINC001089000889	866014355	/nfs/dbraw/zinc/01/43/55/866014355.db2.gz	CYEZGWZXBNAGDT-MNEFBYGVSA-N	1	0	371.481	1.604	20	30		FDEDRO
CC[C@@H](CC(F)(F)F)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106887469	881936616	/nfs/dbraw/zinc/93/66/16/881936616.db2.gz	QZOZTYMJUVCYRA-FRRDWIJNSA-N	1	0	362.396	1.289	20	30		FDEDRO
C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)CCC[C@@H]12	ZINC000991976042	866694319	/nfs/dbraw/zinc/69/43/19/866694319.db2.gz	QFXHMRCDOCFHSG-AJYBTWMASA-N	1	0	363.502	1.165	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1	ZINC000456315228	866828794	/nfs/dbraw/zinc/82/87/94/866828794.db2.gz	MTAQLANHCWKAHH-KRWDZBQOSA-N	1	0	356.470	1.634	20	30		FDEDRO
CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000456362533	866882540	/nfs/dbraw/zinc/88/25/40/866882540.db2.gz	WSSSREVFOIQYTH-MRXNPFEDSA-N	1	0	352.442	1.882	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000992066318	867625234	/nfs/dbraw/zinc/62/52/34/867625234.db2.gz	HGSIDLYBMPDMGI-SJORKVTESA-N	1	0	354.410	1.256	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1	ZINC000992070837	867647200	/nfs/dbraw/zinc/64/72/00/867647200.db2.gz	FXIHROQCQXAYMG-JQHSSLGASA-N	1	0	363.502	1.273	20	30		FDEDRO
NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2	ZINC000992182430	868195026	/nfs/dbraw/zinc/19/50/26/868195026.db2.gz	ROFMQVUUQTYFTI-IIMDRIAPSA-N	1	0	351.450	1.273	20	30		FDEDRO
CC(C)(C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc(F)cc(C#N)c1	ZINC000509196667	882169657	/nfs/dbraw/zinc/16/96/57/882169657.db2.gz	OJMMVQDTHFHGOA-HNNXBMFYSA-N	1	0	374.460	1.679	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C	ZINC001106108254	868266890	/nfs/dbraw/zinc/26/68/90/868266890.db2.gz	ULXFRPCQLZITDK-QZTJIDSGSA-N	1	0	359.514	1.921	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C)C(=O)Nc1ncccn1	ZINC001106109172	868295604	/nfs/dbraw/zinc/29/56/04/868295604.db2.gz	DZRVDOAXMSUUHH-OWCLPIDISA-N	1	0	371.485	1.537	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2ccccc2)[C@H](C)C1	ZINC001106111279	868387744	/nfs/dbraw/zinc/38/77/44/868387744.db2.gz	KVFRSIGAYZTFMU-ZIFCJYIRSA-N	1	0	371.481	1.025	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cccc(C)c2)[C@H](C)C1	ZINC001106111471	868391093	/nfs/dbraw/zinc/39/10/93/868391093.db2.gz	NAPKUIHMBKOLBM-FGTMMUONSA-N	1	0	371.481	1.656	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2c(C)nc3ccccc32)C[C@H]1C	ZINC001106113268	868416081	/nfs/dbraw/zinc/41/60/81/868416081.db2.gz	ZDVLTUKJGCAFIH-SJLPKXTDSA-N	1	0	368.481	1.679	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)[C@H](C)C1	ZINC001106114503	868491572	/nfs/dbraw/zinc/49/15/72/868491572.db2.gz	AHCOPXUVNQJMGV-CRAIPNDOSA-N	1	0	357.429	1.921	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C(C)C)s2)[C@H](C)C1	ZINC001106116713	868578846	/nfs/dbraw/zinc/57/88/46/868578846.db2.gz	LJPCRAFNOWSUDB-QLFBSQMISA-N	1	0	364.515	1.884	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C(C)(C)C)o2)[C@H](C)C1	ZINC001106116732	868580177	/nfs/dbraw/zinc/58/01/77/868580177.db2.gz	LTIQPUXWHAGVOS-RBSFLKMASA-N	1	0	362.474	1.590	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CCOCc2ccccc2)[C@H](C)C1	ZINC001106116909	868581654	/nfs/dbraw/zinc/58/16/54/868581654.db2.gz	SKQUMXUGKNSGDO-WSTZPKSXSA-N	1	0	358.482	1.926	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NCCC(C)C)[C@H](C)C1	ZINC001106117487	868595405	/nfs/dbraw/zinc/59/54/05/868595405.db2.gz	ROIGVCNHSXFVQM-FGTMMUONSA-N	1	0	365.518	1.261	20	30		FDEDRO
C[C@H](C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)c1cccc(C#N)c1	ZINC000464557064	868944089	/nfs/dbraw/zinc/94/40/89/868944089.db2.gz	VHDRYKMWDIPDNT-HNNXBMFYSA-N	1	0	356.470	1.578	20	30		FDEDRO
C[C@H](CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1)NC(N)=O	ZINC001106125856	868986534	/nfs/dbraw/zinc/98/65/34/868986534.db2.gz	FQYRIPHERGLSEK-CKEIUWERSA-N	1	0	357.458	1.189	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CC2(CS(C)(=O)=O)CC2)C[C@H]1C	ZINC001106130003	869194191	/nfs/dbraw/zinc/19/41/91/869194191.db2.gz	OYPZSLRUYWGOKA-TZMCWYRMSA-N	1	0	362.923	1.638	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc3scnc32)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106130472	869227393	/nfs/dbraw/zinc/22/73/93/869227393.db2.gz	YLEJGIWHBSZXJO-CHWSQXEVSA-N	1	0	371.466	1.234	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(F)cc2C)C[C@@H]1O	ZINC001083853173	882283434	/nfs/dbraw/zinc/28/34/34/882283434.db2.gz	GEKVDNJIFFDOIC-RDGPPVDQSA-N	1	0	362.445	1.777	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H](CN2CCOCC2)c2ccccc2)CC1	ZINC000913947612	870100791	/nfs/dbraw/zinc/10/07/91/870100791.db2.gz	HQDLKCFXKJFGOE-FQEVSTJZSA-N	1	0	370.497	1.457	20	30		FDEDRO
C#CCN(C(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1	ZINC000913976928	870188626	/nfs/dbraw/zinc/18/86/26/870188626.db2.gz	BESXNTFBAXEWLD-CALCHBBNSA-N	1	0	364.534	1.613	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C2CCOCC2)[C@@H](n2ccnn2)C1	ZINC001128617964	882410609	/nfs/dbraw/zinc/41/06/09/882410609.db2.gz	WKYXMPHLHPKSLU-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCc1ccc(C#N)cc1)C2	ZINC000914053170	870485539	/nfs/dbraw/zinc/48/55/39/870485539.db2.gz	QQBDNLFHJUXXPP-XSYGEPLQSA-N	1	0	356.470	1.837	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)Cc1csc(C#N)c1	ZINC000914077130	870633490	/nfs/dbraw/zinc/63/34/90/870633490.db2.gz	YGJRQAQWZXNTGV-UHFFFAOYSA-N	1	0	364.496	1.908	20	30		FDEDRO
C#CCN(C(=O)NCc1cccnc1OCCOC)C1CC[NH+](C)CC1	ZINC000914108273	870795144	/nfs/dbraw/zinc/79/51/44/870795144.db2.gz	DLVIQSMSCVZDAJ-UHFFFAOYSA-N	1	0	360.458	1.346	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2C)cn1	ZINC000994385839	882490823	/nfs/dbraw/zinc/49/08/23/882490823.db2.gz	BOKUEBJUGIXLIU-JFIYKMOQSA-N	1	0	368.481	1.229	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[C@H]2CCCCO2)C[C@H]1C	ZINC001106143006	871292491	/nfs/dbraw/zinc/29/24/91/871292491.db2.gz	JLDRBAQTPRSMEH-KZNAEPCWSA-N	1	0	350.503	1.916	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C[C@H]1C	ZINC001106144220	871376435	/nfs/dbraw/zinc/37/64/35/871376435.db2.gz	WICWNQMYCOASGW-NCXUSEDFSA-N	1	0	354.498	1.861	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H](C[NH2+]CCNS(=O)(=O)CC)[C@H](C)C1	ZINC001106175463	871578235	/nfs/dbraw/zinc/57/82/35/871578235.db2.gz	FSEBKUSWFBBZRH-NVXWUHKLSA-N	1	0	371.547	1.378	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC1	ZINC000914190408	871776703	/nfs/dbraw/zinc/77/67/03/871776703.db2.gz	QRKLVURSLSDWGH-QGZVFWFLSA-N	1	0	354.498	1.830	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1	ZINC000922081157	871885692	/nfs/dbraw/zinc/88/56/92/871885692.db2.gz	JBLLTQVWDJGEAT-WFASDCNBSA-N	1	0	356.879	1.623	20	30		FDEDRO
C[NH+](C)C1CCN(CCNS(=O)(=O)Cc2csc(C#N)c2)CC1	ZINC000914224811	871917595	/nfs/dbraw/zinc/91/75/95/871917595.db2.gz	UUDPUQNCSCMQJJ-UHFFFAOYSA-N	1	0	356.517	1.065	20	30		FDEDRO
C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)Cc2csc(C#N)c2)CC1	ZINC000914388975	872596378	/nfs/dbraw/zinc/59/63/78/872596378.db2.gz	KCYQSVDPKXHSTC-UHFFFAOYSA-N	1	0	370.544	1.455	20	30		FDEDRO
C=C(Br)CNC(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O	ZINC000914418462	872795193	/nfs/dbraw/zinc/79/51/93/872795193.db2.gz	LHPZAUGDPYTMKP-GUIRCDHDSA-N	1	0	360.296	1.674	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN(C(=O)Nc1nc(Cl)c(C#N)s1)CCO2	ZINC000888424480	872820269	/nfs/dbraw/zinc/82/02/69/872820269.db2.gz	VBFWWDQWJWUKEL-UHFFFAOYSA-N	1	0	355.851	1.997	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c(F)cncc2F)C[C@H]1C	ZINC001106186777	873183802	/nfs/dbraw/zinc/18/38/02/873183802.db2.gz	BVMCIYDPRYOFBL-FRRDWIJNSA-N	1	0	366.412	1.348	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccsn2)CC1	ZINC001003365192	873203864	/nfs/dbraw/zinc/20/38/64/873203864.db2.gz	INQJXYWBKWZTLU-OIISXLGYSA-N	1	0	372.494	1.350	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@@H]2CCCO2)CC1	ZINC001003363645	873217004	/nfs/dbraw/zinc/21/70/04/873217004.db2.gz	RZMVBPGFPMLJLY-HCXYKTFWSA-N	1	0	373.497	1.149	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)C[C@H]1C	ZINC001106198481	873602551	/nfs/dbraw/zinc/60/25/51/873602551.db2.gz	CDDCPUVOTQYURD-BRWVUGGUSA-N	1	0	351.491	1.132	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC(C)C)C2)C[C@H]1C	ZINC001106203813	873681706	/nfs/dbraw/zinc/68/17/06/873681706.db2.gz	XGMKMLJUACNGIK-VNQPRFMTSA-N	1	0	355.910	1.928	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C)C1)[NH+]1CCCC1	ZINC000993014905	873683328	/nfs/dbraw/zinc/68/33/28/873683328.db2.gz	FWQJRBFJOIKEGI-CBQOVEMMSA-N	1	0	371.525	1.827	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ncn(C)c32)C[C@H]1C	ZINC001106232721	874037598	/nfs/dbraw/zinc/03/75/98/874037598.db2.gz	HARYVNVYVARETI-ZIAGYGMSSA-N	1	0	357.458	1.938	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]CCC[C@@H](C)O)[C@H](C)C2)CCOCC1	ZINC001106235599	874049152	/nfs/dbraw/zinc/04/91/52/874049152.db2.gz	WIEVNVSKBQWMCW-KZNAEPCWSA-N	1	0	350.503	1.652	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCO[C@@H]2CC2(F)F)C1	ZINC001112352602	874113197	/nfs/dbraw/zinc/11/31/97/874113197.db2.gz	SNUPLVMETYLEDV-JZXOWHBKSA-N	1	0	370.440	1.669	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CC2)[C@H](C)C1	ZINC001106252030	874143291	/nfs/dbraw/zinc/14/32/91/874143291.db2.gz	CNZBUDMNIFHDJY-NVXWUHKLSA-N	1	0	358.486	1.498	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccon2)[C@H](C)C1	ZINC001106256052	874174292	/nfs/dbraw/zinc/17/42/92/874174292.db2.gz	VTRHNADRNMHUGQ-HUUCEWRRSA-N	1	0	371.441	1.599	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccnc(CCC)c2)C[C@H]1C	ZINC001106283390	874433407	/nfs/dbraw/zinc/43/34/07/874433407.db2.gz	QIIFVRPJAPKTKW-SOLBZPMBSA-N	1	0	370.497	1.470	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(Cc3ccc(C#N)s3)C[C@@H]2O)CC[N@@H+]1C	ZINC001083727333	874482299	/nfs/dbraw/zinc/48/22/99/874482299.db2.gz	XUJKFHUFGGCJSD-CLROSIBMSA-N	1	0	362.499	1.011	20	30		FDEDRO
COCCCNC(=S)NN=Cc1ccc(OCC[NH+]2CCCC2)cc1	ZINC000914691252	874499248	/nfs/dbraw/zinc/49/92/48/874499248.db2.gz	AATPYLRFXQEQPG-UHFFFAOYSA-N	1	0	364.515	1.996	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2cc(C)ccn2)C[C@H]1C	ZINC001106310280	874740829	/nfs/dbraw/zinc/74/08/29/874740829.db2.gz	PPKYBVBHCMMFES-IAGOWNOFSA-N	1	0	370.497	1.101	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCN(C)C(=O)C2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106330159	874801242	/nfs/dbraw/zinc/80/12/42/874801242.db2.gz	SNJVDYGTQLHLJW-YZGWKJHDSA-N	1	0	367.493	1.591	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC)[C@H](C)C2)cc1	ZINC001106331381	874805221	/nfs/dbraw/zinc/80/52/21/874805221.db2.gz	XJKRFOOYULJLIQ-NVXWUHKLSA-N	1	0	359.470	1.685	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnoc2-c2ccco2)C[C@H]1C	ZINC001106336475	874813297	/nfs/dbraw/zinc/81/32/97/874813297.db2.gz	PLVGDQHRSMPGAY-HUUCEWRRSA-N	1	0	357.410	1.882	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)ncn3C)C[C@H]1C	ZINC001106343160	874852478	/nfs/dbraw/zinc/85/24/78/874852478.db2.gz	RUSFXAHICCEVKG-NVXWUHKLSA-N	1	0	354.454	1.521	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106403193	875128572	/nfs/dbraw/zinc/12/85/72/875128572.db2.gz	QJSDNUYTQJVZIS-NVXWUHKLSA-N	1	0	365.433	1.728	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C[C@H]1C	ZINC001106416681	875183983	/nfs/dbraw/zinc/18/39/83/875183983.db2.gz	HEMUNXWLUXVCEG-OQIJWPOYSA-N	1	0	350.503	1.936	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCc1ccccc1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001060522050	875347339	/nfs/dbraw/zinc/34/73/39/875347339.db2.gz	OBQLYXRZVARXFU-HDMKZQKVSA-N	1	0	356.470	1.761	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC(C)(C)COC)C[C@H]1C	ZINC001106469814	875514689	/nfs/dbraw/zinc/51/46/89/875514689.db2.gz	KWDPLNNSRPJNKZ-BZUAXINKSA-N	1	0	353.507	1.424	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COCCN2CC(F)F)C[C@H]1C	ZINC001106476817	875580223	/nfs/dbraw/zinc/58/02/23/875580223.db2.gz	ZCYPEYPTIWLDLN-OAGGEKHMSA-N	1	0	359.461	1.603	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cn(C(C)C)cn2)C[C@H]1C	ZINC001106479898	875606654	/nfs/dbraw/zinc/60/66/54/875606654.db2.gz	WRLQFOPNHQDNFM-OWCLPIDISA-N	1	0	361.490	1.452	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@](C)(C=C)CCOC)C[C@H]1C	ZINC001106482682	875621714	/nfs/dbraw/zinc/62/17/14/875621714.db2.gz	LJKYEPNXECQNNR-GPMSIDNRSA-N	1	0	351.491	1.202	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)C)[C@H](C)C1	ZINC001106486238	875639680	/nfs/dbraw/zinc/63/96/80/875639680.db2.gz	MNKZVNKIYBKPNW-MDZRGWNJSA-N	1	0	353.507	1.424	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]Cc2cnns2)[C@H](C)C1	ZINC001106486002	875639958	/nfs/dbraw/zinc/63/99/58/875639958.db2.gz	JMBCCIAHHJACKM-CKEIUWERSA-N	1	0	352.504	1.951	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC(=O)Nc3ccccc32)C[C@H]1C	ZINC001106500235	875719564	/nfs/dbraw/zinc/71/95/64/875719564.db2.gz	UQCWDRPSHBSEGA-JFIYKMOQSA-N	1	0	371.481	1.999	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCCN3CCCC3=O)[C@H](C)C2)cc1	ZINC001106511774	875790832	/nfs/dbraw/zinc/79/08/32/875790832.db2.gz	XJLKWVSYIOSLIJ-YLJYHZDGSA-N	1	0	367.493	1.978	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCNC(=O)C3CC3)[C@H](C)C2)cc1	ZINC001106512116	875799743	/nfs/dbraw/zinc/79/97/43/875799743.db2.gz	FRGSSCDWGBJECD-DNVCBOLYSA-N	1	0	353.466	1.492	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(OC)ccn2)C[C@H]1C	ZINC001106512672	875800004	/nfs/dbraw/zinc/80/00/04/875800004.db2.gz	RBCCLJGSJPWVMS-RBSFLKMASA-N	1	0	360.458	1.079	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)C=C)C[C@H]1C	ZINC001106530397	875863003	/nfs/dbraw/zinc/86/30/03/875863003.db2.gz	COCWRRMJUWMPOL-RBSFLKMASA-N	1	0	364.490	1.283	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H](C[NH2+]CCOCCNC(C)=O)[C@H](C)C1	ZINC001106534008	875887695	/nfs/dbraw/zinc/88/76/95/875887695.db2.gz	WWOLHYXTWLIPSN-IEBWSBKVSA-N	1	0	365.518	1.407	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]CCCS(=O)(=O)N(C)C)[C@H](C)C1	ZINC001106556659	875946747	/nfs/dbraw/zinc/94/67/47/875946747.db2.gz	VLYUIRHOPUGNHH-IAGOWNOFSA-N	1	0	371.547	1.146	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc[nH]c2CCC)C[C@H]1C	ZINC001106569727	875982855	/nfs/dbraw/zinc/98/28/55/875982855.db2.gz	KVMPEINVJAHWPZ-OWCLPIDISA-N	1	0	358.486	1.403	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](c2ccncc2)C(C)C)C[C@H]1C	ZINC001106581723	876027716	/nfs/dbraw/zinc/02/77/16/876027716.db2.gz	LWSBZXMCVBVKCD-POAQFYNOSA-N	1	0	370.497	1.255	20	30		FDEDRO
COC(=O)[C@H](Nc1cnn(CCN2CCOCC2)c1)c1ccc(C#N)cc1	ZINC000762538789	876055920	/nfs/dbraw/zinc/05/59/20/876055920.db2.gz	NYBRGBKDORFVFA-GOSISDBHSA-N	1	0	369.425	1.413	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc3n[nH]cc3c2)C[C@H]1C	ZINC001106591385	876061149	/nfs/dbraw/zinc/06/11/49/876061149.db2.gz	ZARNHPJGDGOUFJ-JKIFEVAISA-N	1	0	369.469	1.551	20	30		FDEDRO
N#CCSCC(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@@H]1n1ccnn1	ZINC001128730047	882995912	/nfs/dbraw/zinc/99/59/12/882995912.db2.gz	DOJQNLSIHOGBTC-CVEARBPZSA-N	1	0	362.503	1.457	20	30		FDEDRO
C[C@H]1CN(C(=O)NCc2ccccc2OCC[NH+](C)C)C[C@H](C)N1CC#N	ZINC000915360230	876131412	/nfs/dbraw/zinc/13/14/12/876131412.db2.gz	AUDBMTLBYUFPSG-IRXDYDNUSA-N	1	0	373.501	1.755	20	30		FDEDRO
C#CCOc1ccc(Br)cc1CNC[C@]1(O)CC[N@@H+](C)C1	ZINC000762569049	876148032	/nfs/dbraw/zinc/14/80/32/876148032.db2.gz	QDHZYRCJODNWOV-MRXNPFEDSA-N	1	0	353.260	1.617	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NCC)[C@H](C)C1	ZINC001106629651	876279345	/nfs/dbraw/zinc/27/93/45/876279345.db2.gz	RLIRTFFOXUCWJH-LBTNJELSSA-N	1	0	352.479	1.119	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]CC(=O)Nc3nncs3)[C@H](C)C2)C1	ZINC001106646955	876379588	/nfs/dbraw/zinc/37/95/88/876379588.db2.gz	DKTGFZCKAWBWJS-CHWSQXEVSA-N	1	0	363.487	1.517	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC(F)(F)C2)C[C@H]1C	ZINC001106657408	876425989	/nfs/dbraw/zinc/42/59/89/876425989.db2.gz	CKCIUAGAGQJYMI-RBSFLKMASA-N	1	0	357.445	1.798	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2conc2C2CC2)C[C@H]1C	ZINC001106657530	876426060	/nfs/dbraw/zinc/42/60/60/876426060.db2.gz	HKQDGKZMDACZPT-VNHYZAJKSA-N	1	0	360.458	1.540	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ncsc2C2CC2)C[C@H]1C	ZINC001106663933	876486349	/nfs/dbraw/zinc/48/63/49/876486349.db2.gz	UNDFJRGATUHWFN-TZMCWYRMSA-N	1	0	362.499	1.620	20	30		FDEDRO
Cc1nc(C(C)C)ccc1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106673116	876519720	/nfs/dbraw/zinc/51/97/20/876519720.db2.gz	CQDPZVVNCVXMRA-GDBMZVCRSA-N	1	0	371.485	1.451	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCn2nc(C)nc2C)[C@H](C)C1	ZINC001106681182	876550535	/nfs/dbraw/zinc/55/05/35/876550535.db2.gz	ZKWFGXPKZZNWCN-PILAGYSTSA-N	1	0	361.490	1.170	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccncc2Cl)C[C@H]1C	ZINC001106695637	876622985	/nfs/dbraw/zinc/62/29/85/876622985.db2.gz	JAQVLCXGWBXAHL-MGPQQGTHSA-N	1	0	364.877	1.723	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C[NH2+]CCOCCNC(C)=O)[C@H](C)C1	ZINC001106711015	876899343	/nfs/dbraw/zinc/89/93/43/876899343.db2.gz	HGFJOIKCTMWGDZ-NVXWUHKLSA-N	1	0	353.507	1.426	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(CC)cc2)C[C@H]1C	ZINC001106713064	876906853	/nfs/dbraw/zinc/90/68/53/876906853.db2.gz	ZYRMMQMKIWUDQW-MBOZVWFJSA-N	1	0	369.509	1.614	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCC)C2)C[C@H]1C	ZINC001106713043	876907014	/nfs/dbraw/zinc/90/70/14/876907014.db2.gz	YNUUBZLONHANPE-IXDOHACOSA-N	1	0	351.491	1.132	20	30		FDEDRO
C#CCN(C(=O)NCCNC(=O)Cc1cccc(F)c1)C1CC[NH+](C)CC1	ZINC000915566787	877063622	/nfs/dbraw/zinc/06/36/22/877063622.db2.gz	FTFIGJOBZWYBRM-UHFFFAOYSA-N	1	0	374.460	1.223	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C(C)C)no2)C[C@H]1C	ZINC001106729032	877074053	/nfs/dbraw/zinc/07/40/53/877074053.db2.gz	FPBDDNUPURIRAG-QLFBSQMISA-N	1	0	362.474	1.786	20	30		FDEDRO
C=CCN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]3CCO[C@H]3C(=C)C)CC2)C1=O	ZINC001003787655	877217974	/nfs/dbraw/zinc/21/79/74/877217974.db2.gz	IIDZMKPNZCHSRZ-BZSNNMDCSA-N	1	0	361.486	1.335	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2nccn2C)[C@H](C)C1	ZINC001106733411	877271404	/nfs/dbraw/zinc/27/14/04/877271404.db2.gz	VLSYJSSBEJASHB-DJIMGWMZSA-N	1	0	361.490	1.075	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2ccn(C)n2)[C@H](C)C1	ZINC001106733562	877272627	/nfs/dbraw/zinc/27/26/27/877272627.db2.gz	ZQXLVXMXSLKPNS-KYJSFNMBSA-N	1	0	361.490	1.075	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c(C)noc2C)C[C@H]1C	ZINC001106738987	877341604	/nfs/dbraw/zinc/34/16/04/877341604.db2.gz	NYKYXUSLAHMOBZ-HDMKZQKVSA-N	1	0	361.486	1.804	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(C#N)c1	ZINC001003865814	877397959	/nfs/dbraw/zinc/39/79/59/877397959.db2.gz	RKJVCDRXMUXYJQ-WCXIOVBPSA-N	1	0	355.442	1.232	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2oc(C(C)C)nc2C)C[C@H]1C	ZINC001106746981	877442108	/nfs/dbraw/zinc/44/21/08/877442108.db2.gz	HTNLAHYQQGWIDV-UKRRQHHQSA-N	1	0	360.458	1.154	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)OCC(=O)N3)[C@H](OC)C1	ZINC001212412643	912237944	/nfs/dbraw/zinc/23/79/44/912237944.db2.gz	ZMGCKZJYZYRMQW-NVXWUHKLSA-N	1	0	359.426	1.413	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3cccc(OCC)n3)[C@H]2C1	ZINC001083149544	912238734	/nfs/dbraw/zinc/23/87/34/912238734.db2.gz	XQCYPEUTFKFHEC-ZWKOTPCHSA-N	1	0	359.470	1.901	20	30		FDEDRO
Cn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)n1	ZINC000272472319	877603527	/nfs/dbraw/zinc/60/35/27/877603527.db2.gz	NGJGXILDFPAYNF-UHFFFAOYSA-N	1	0	356.386	1.404	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H](N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1=O	ZINC000282353304	877642536	/nfs/dbraw/zinc/64/25/36/877642536.db2.gz	VVEWOJVBKYXHNM-RDJZCZTQSA-N	1	0	374.510	1.769	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3CN(C(=O)C[C@H]4CC[N@@H+](C)C4)C[C@@]3(C)C2)C1	ZINC000993386934	877766436	/nfs/dbraw/zinc/76/64/36/877766436.db2.gz	OCGODKPOUGERTE-LZJOCLMNSA-N	1	0	359.514	1.991	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)C[C@@]3(C)C2)C1	ZINC000993393996	877820629	/nfs/dbraw/zinc/82/06/29/877820629.db2.gz	DYGZBDBSVFUXSK-HMFYCAOWSA-N	1	0	371.525	1.991	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccco2)C[C@H]1C	ZINC001106785832	877907103	/nfs/dbraw/zinc/90/71/03/877907103.db2.gz	FPPFGPCCWIFPDZ-IAGOWNOFSA-N	1	0	361.486	1.931	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc3nc[nH]c32)C[C@H]1C	ZINC001106790733	877935486	/nfs/dbraw/zinc/93/54/86/877935486.db2.gz	ONTBXZPKOIKHTE-RBSFLKMASA-N	1	0	369.469	1.551	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3nc(C)c4cccnc43)[C@H]2C1	ZINC001083150637	912291694	/nfs/dbraw/zinc/29/16/94/912291694.db2.gz	HZCJSGIYTBQEDJ-ZWKOTPCHSA-N	1	0	369.469	1.618	20	30		FDEDRO
C#CCN(C(=O)NC[C@@H](C)N(C)C(=O)OC(C)(C)C)C1CC[NH+](C)CC1	ZINC000922386947	878006431	/nfs/dbraw/zinc/00/64/31/878006431.db2.gz	ROHKWUQDBHPTGV-OAHLLOKOSA-N	1	0	366.506	1.981	20	30		FDEDRO
CN(C)C(=O)COc1cccc(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)c1	ZINC000763232827	878277759	/nfs/dbraw/zinc/27/77/59/878277759.db2.gz	VHSIEAVIGYYGOK-LJQANCHMSA-N	1	0	353.422	1.848	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(CCC)on2)C[C@H]1C	ZINC001106823515	878304704	/nfs/dbraw/zinc/30/47/04/878304704.db2.gz	KXBCKVAEEZKIKU-RBSFLKMASA-N	1	0	362.474	1.616	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N[C@H]1CCc2cc(Br)ccc2NC1=O	ZINC000922511678	878421855	/nfs/dbraw/zinc/42/18/55/878421855.db2.gz	JOPHXRLKILYHDK-AWEZNQCLSA-N	1	0	366.259	1.936	20	30		FDEDRO
CN1CCOC[C@]1(CO)C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000922539474	878491431	/nfs/dbraw/zinc/49/14/31/878491431.db2.gz	LUCVPDNRCLAOJV-HXUWFJFHSA-N	1	0	369.469	1.246	20	30		FDEDRO
COc1cc(CNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)ccc1C#N	ZINC000922528711	878492768	/nfs/dbraw/zinc/49/27/68/878492768.db2.gz	CJCBHWOKCQLYFG-CVEARBPZSA-N	1	0	360.483	1.946	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccn(CC)n1)C2	ZINC001112540080	912357676	/nfs/dbraw/zinc/35/76/76/912357676.db2.gz	DZLQQHCPEWAUQT-KXBFYZLASA-N	1	0	359.474	1.037	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCN1CCCC1=O	ZINC001032679536	912375501	/nfs/dbraw/zinc/37/55/01/912375501.db2.gz	UKLQAMGONMXHFA-DWRORGKVSA-N	1	0	361.486	1.265	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCc2nnc(C[NH2+]CCC)n2CC1	ZINC001128054082	912398126	/nfs/dbraw/zinc/39/81/26/912398126.db2.gz	JRNVFLINEXXZMA-MPGHIAIKSA-N	1	0	361.490	1.580	20	30		FDEDRO
C#Cc1ccc(CNC(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1	ZINC000922665733	878954911	/nfs/dbraw/zinc/95/49/11/878954911.db2.gz	LPLGNEISAPOBEY-XCJLJZCSSA-N	1	0	355.482	1.947	20	30		FDEDRO
CN(C(=O)[C@]12C[C@H]1COC2)[C@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)C1	ZINC001033098406	878955254	/nfs/dbraw/zinc/95/52/54/878955254.db2.gz	HMXSMSHIRCFUKV-ZWOKBUDYSA-N	1	0	355.438	1.658	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@H](CC)NC(=O)OC(C)(C)C)CC1	ZINC000922686454	878997365	/nfs/dbraw/zinc/99/73/65/878997365.db2.gz	JUHURBBVWHEWFG-AWEZNQCLSA-N	1	0	352.479	1.687	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+]([C@H](C)C(=O)NC)C[C@H]2CC1	ZINC000946595242	879062550	/nfs/dbraw/zinc/06/25/50/879062550.db2.gz	OMATYJRGFKOBAF-SFFUCWETSA-N	1	0	363.502	1.273	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1C[C@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O	ZINC000922719483	879094494	/nfs/dbraw/zinc/09/44/94/879094494.db2.gz	HQWDBTOGLOTDCL-FEFVAOQBSA-N	1	0	351.491	1.499	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1O	ZINC001083832826	879241933	/nfs/dbraw/zinc/24/19/33/879241933.db2.gz	WUIBKNOWZCPIDF-AQNXPRMDSA-N	1	0	370.497	1.482	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C3)nc1	ZINC001004370398	879275052	/nfs/dbraw/zinc/27/50/52/879275052.db2.gz	TZBLKZXZVNYTEP-ISARSNTHSA-N	1	0	366.465	1.266	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N[C@@H]2CN(Cc3ccc(C#N)s3)C[C@@H]2O)CC1	ZINC001083833843	879289512	/nfs/dbraw/zinc/28/95/12/879289512.db2.gz	YNYOQFDNTTXZHL-SJORKVTESA-N	1	0	362.499	1.013	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2oncc2C)C[C@H]1C	ZINC001106830538	879344555	/nfs/dbraw/zinc/34/45/55/879344555.db2.gz	SQINMYWGCFKEAO-HUUCEWRRSA-N	1	0	361.446	1.043	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-c3nc[nH]n3)cc2)C[C@H]1C	ZINC001106833069	879711873	/nfs/dbraw/zinc/71/18/73/879711873.db2.gz	HFMFLUHXTFJEAI-CRAIPNDOSA-N	1	0	369.469	1.972	20	30		FDEDRO
CC(C)[C@H](C(=O)N1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)[C@H](C)C1)[NH+](C)C	ZINC000993864006	879806670	/nfs/dbraw/zinc/80/66/70/879806670.db2.gz	HTLKIUXDPVVPDX-FRFSOERESA-N	1	0	359.474	1.297	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3CC(C)(C)C)C2)CC1	ZINC000993861970	879817349	/nfs/dbraw/zinc/81/73/49/879817349.db2.gz	TXOQYPRUTCWIAA-FUHWJXTLSA-N	1	0	359.514	1.731	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)[C@H](C)C2)cc1	ZINC000993844765	879883852	/nfs/dbraw/zinc/88/38/52/879883852.db2.gz	UWRCPIRMCKIPSF-ATZDWAIDSA-N	1	0	353.466	1.586	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)CC1	ZINC001004574852	879888600	/nfs/dbraw/zinc/88/86/00/879888600.db2.gz	FRTCUDYUQAALGU-VAMGGRTRSA-N	1	0	370.497	1.624	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CCc3cccs3)C[C@@H]2O)cc1	ZINC001083842610	879896473	/nfs/dbraw/zinc/89/64/73/879896473.db2.gz	VDVGKAHKXMAZIU-MOPGFXCFSA-N	1	0	370.474	1.778	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)[C@H](C)C1	ZINC000993919820	880151697	/nfs/dbraw/zinc/15/16/97/880151697.db2.gz	ZEDXTFZWYPFMGO-QGPMSJSTSA-N	1	0	371.485	1.583	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)c3coc(C)c3)[C@H](C)C2)CC1	ZINC000993943337	880219585	/nfs/dbraw/zinc/21/95/85/880219585.db2.gz	QAUFRESKTZWHEC-DNVCBOLYSA-N	1	0	371.481	1.758	20	30		FDEDRO
CCOC(=O)CNC(=O)C1CC[NH+](Cc2ccc(C#N)c(OC)c2)CC1	ZINC000282284773	912564896	/nfs/dbraw/zinc/56/48/96/912564896.db2.gz	LFJILJFHAKJXHF-UHFFFAOYSA-N	1	0	359.426	1.458	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](CNC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1	ZINC000994110087	880776020	/nfs/dbraw/zinc/77/60/20/880776020.db2.gz	SENKALYWMATUCR-GZBFAFLISA-N	1	0	362.499	1.794	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C	ZINC000994161670	880864942	/nfs/dbraw/zinc/86/49/42/880864942.db2.gz	SDFXDKZATRKQFV-IAGOWNOFSA-N	1	0	370.497	1.594	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)C3(C)CCC3)C[C@H]2C)CC1	ZINC000994137355	880898540	/nfs/dbraw/zinc/89/85/40/880898540.db2.gz	VHPYQHRYUOYTFC-SJLPKXTDSA-N	1	0	359.514	1.733	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)C3CC4(CC4)C3)C[C@H]2C)CC1	ZINC000994141715	880914792	/nfs/dbraw/zinc/91/47/92/880914792.db2.gz	ZULCSXMFISKWNY-VQIMIIECSA-N	1	0	371.525	1.733	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCc2nc3cc[nH]cc-3n2)C[C@H]1C	ZINC001106847180	881028516	/nfs/dbraw/zinc/02/85/16/881028516.db2.gz	QEEBSSMEHCAHHW-HZPDHXFCSA-N	1	0	369.469	1.224	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)COCc2nc(CC)no2)C[C@H]1C	ZINC001106860454	881181187	/nfs/dbraw/zinc/18/11/87/881181187.db2.gz	ZVBCSDVOENTYNL-DGCLKSJQSA-N	1	0	356.854	1.585	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+]2CCCC2)cn1	ZINC001004747789	881201521	/nfs/dbraw/zinc/20/15/21/881201521.db2.gz	LNMOYTYOARFUPO-KURKYZTESA-N	1	0	352.438	1.020	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@H+]2CC[C@H](C)C2)cn1	ZINC001004749241	881202087	/nfs/dbraw/zinc/20/20/87/881202087.db2.gz	UQVBCLAHEBYSDF-PIKADFDJSA-N	1	0	366.465	1.266	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1	ZINC000915902609	881214568	/nfs/dbraw/zinc/21/45/68/881214568.db2.gz	IRUXDKLILVWHOP-SFHVURJKSA-N	1	0	364.453	1.939	20	30		FDEDRO
C[C@@H](CC(C)(C)C#N)[NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1	ZINC000925435523	883255281	/nfs/dbraw/zinc/25/52/81/883255281.db2.gz	RLXYOQLLFKOMRB-AWEZNQCLSA-N	1	0	357.520	1.878	20	30		FDEDRO
CCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC001033952403	883570812	/nfs/dbraw/zinc/57/08/12/883570812.db2.gz	UBDAUXNAWLXGIS-OKZBNKHCSA-N	1	0	370.453	1.014	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)CC(C)(C)C1	ZINC001089389314	883683945	/nfs/dbraw/zinc/68/39/45/883683945.db2.gz	ODNPAWVPZCEYOJ-BBWFWOEESA-N	1	0	365.518	1.663	20	30		FDEDRO
CCn1nc(C)c(CC(=O)N2C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C2)c1C	ZINC001106889433	883707211	/nfs/dbraw/zinc/70/72/11/883707211.db2.gz	MRAZVRPXWHSFHO-CRAIPNDOSA-N	1	0	360.502	1.396	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@H+](CCC2CCCCC2)C[C@@H]1n1ccnn1	ZINC001128824556	883744489	/nfs/dbraw/zinc/74/44/89/883744489.db2.gz	FMBSNUPSHJLKRQ-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccccc2C)C[C@@H]1n1ccnn1	ZINC001128825419	883748392	/nfs/dbraw/zinc/74/83/92/883748392.db2.gz	QGBJGOAZJHJEPJ-QRQLOZEOSA-N	1	0	369.469	1.892	20	30		FDEDRO
CCc1ccc(CC[N@@H+]2C[C@@H](NC(=O)[C@H](C)C#N)[C@@H](n3ccnn3)C2)cc1	ZINC001128829665	883754499	/nfs/dbraw/zinc/75/44/99/883754499.db2.gz	IHMLMECDMOLWPU-LZQZEXGQSA-N	1	0	366.469	1.584	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ncccc2C)[C@@H](n2ccnn2)C1	ZINC001128883621	883950810	/nfs/dbraw/zinc/95/08/10/883950810.db2.gz	MOJZINQGPSHEKL-BBWFWOEESA-N	1	0	354.458	1.992	20	30		FDEDRO
C#CCN(C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[C@@H]1CCCc2ccccc21	ZINC000917972178	883969024	/nfs/dbraw/zinc/96/90/24/883969024.db2.gz	MDPSWZZWGGPHSX-UYAOXDASSA-N	1	0	354.498	1.955	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@@H+](CCCOC(C)C)C[C@@H]1n1ccnn1	ZINC001128913841	884099007	/nfs/dbraw/zinc/09/90/07/884099007.db2.gz	PZKRIWFDPHCTRU-MSOLQXFVSA-N	1	0	361.490	1.628	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1n1ccnn1	ZINC001128914427	884102962	/nfs/dbraw/zinc/10/29/62/884102962.db2.gz	XTXKCCPKGSYSRD-KSZLIROESA-N	1	0	359.474	1.240	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001128929560	884147238	/nfs/dbraw/zinc/14/72/38/884147238.db2.gz	KSMSCSREXATYAS-HBFSDRIKSA-N	1	0	369.469	1.189	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c1	ZINC000245625566	884300909	/nfs/dbraw/zinc/30/09/09/884300909.db2.gz	QADGDLSRDPMKHY-ZWKOTPCHSA-N	1	0	371.462	1.472	20	30		FDEDRO
Cc1cc(F)cc(C#N)c1S(=O)(=O)N1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1	ZINC000918368467	884373739	/nfs/dbraw/zinc/37/37/39/884373739.db2.gz	KBMCVWZCXZMOLW-CALCHBBNSA-N	1	0	351.447	1.968	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)CC2(C)CCCC2)[C@@H](n2ccnn2)C1	ZINC001128958180	884453617	/nfs/dbraw/zinc/45/36/17/884453617.db2.gz	UGBWDOIRVFXABP-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(C)nn2)[C@@H](n2ccnn2)C1	ZINC001128966574	884477653	/nfs/dbraw/zinc/47/76/53/884477653.db2.gz	CKONVHWRGQRNQU-UAGQMJEPSA-N	1	0	355.446	1.387	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2nn(C)cc2C)[C@@H](n2ccnn2)C1	ZINC001128966744	884479288	/nfs/dbraw/zinc/47/92/88/884479288.db2.gz	LQXYHSZLZHHTGP-XHSDSOJGSA-N	1	0	357.462	1.330	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@@H]1n1ccnn1	ZINC001128976245	884545421	/nfs/dbraw/zinc/54/54/21/884545421.db2.gz	LPOXTRQJBWJVFC-KSZLIROESA-N	1	0	359.474	1.096	20	30		FDEDRO
C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1	ZINC001005583253	884692578	/nfs/dbraw/zinc/69/25/78/884692578.db2.gz	HDTYOSOJVYFJCO-KGLIPLIRSA-N	1	0	350.381	1.832	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)C[C@H](OCC)C2=CCCC2)[C@@H](n2ccnn2)C1	ZINC001128985884	884736186	/nfs/dbraw/zinc/73/61/86/884736186.db2.gz	WTEKIYHEKLJBHX-QYZOEREBSA-N	1	0	371.485	1.548	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc(C(C)C)n(C)n2)[C@@H](n2ccnn2)C1	ZINC001128993864	884867407	/nfs/dbraw/zinc/86/74/07/884867407.db2.gz	WHZLETPUFVYFDB-AEFFLSMTSA-N	1	0	371.489	1.757	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)C1	ZINC000999516539	912875576	/nfs/dbraw/zinc/87/55/76/912875576.db2.gz	RNPHKEGPUJMDLI-YRXWBPOGSA-N	1	0	357.498	1.770	20	30		FDEDRO
C#CC[C@@H](CO)NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1	ZINC000918756102	884913238	/nfs/dbraw/zinc/91/32/38/884913238.db2.gz	DPFHPKJQTFLGDM-CVEARBPZSA-N	1	0	369.387	1.963	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)CC(C)C)C[C@@H]1n1ccnn1	ZINC001128998732	884935631	/nfs/dbraw/zinc/93/56/31/884935631.db2.gz	DUKZCFHDKQPDRV-KSZLIROESA-N	1	0	361.490	1.342	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)[C@@H](O)c3ccc(C#N)cc3)cc2)CC1	ZINC000918857449	884963519	/nfs/dbraw/zinc/96/35/19/884963519.db2.gz	OWKNBVVTILLYAP-FQEVSTJZSA-N	1	0	364.449	1.660	20	30		FDEDRO
C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1	ZINC000918947230	885072330	/nfs/dbraw/zinc/07/23/30/885072330.db2.gz	LRZRCAVWQMPUIE-OAHLLOKOSA-N	1	0	357.863	1.289	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCn2nc(C)nc2C)C1	ZINC000999540229	912910636	/nfs/dbraw/zinc/91/06/36/912910636.db2.gz	SXQCZSAEACODQI-FOIPXRHGSA-N	1	0	361.490	1.455	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1)OCC	ZINC001129029393	885337386	/nfs/dbraw/zinc/33/73/86/885337386.db2.gz	DLUPDQMZBUCOJX-PMPSAXMXSA-N	1	0	353.442	1.351	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2c(C3CC3)cnn2C)[C@@H](n2ccnn2)C1	ZINC001129042928	885513296	/nfs/dbraw/zinc/51/32/96/885513296.db2.gz	DEUFWXBPKGXPMM-SJORKVTESA-N	1	0	369.473	1.511	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(=O)c(OC)co1	ZINC001035054188	885562625	/nfs/dbraw/zinc/56/26/25/885562625.db2.gz	HDQZPBDABQCJKW-UNEWFSDZSA-N	1	0	362.426	1.320	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc(C)nnc2CC)[C@@H](n2ccnn2)C1	ZINC001129078783	885685901	/nfs/dbraw/zinc/68/59/01/885685901.db2.gz	FNRCAJJROFLIBN-MSOLQXFVSA-N	1	0	369.473	1.560	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCc2cncnc2)[C@@H](n2ccnn2)C1	ZINC001129103090	885698877	/nfs/dbraw/zinc/69/88/77/885698877.db2.gz	DDTDIKLESDCMSV-SJORKVTESA-N	1	0	355.446	1.009	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCCCC)[C@H](C)C2)cn1	ZINC001106894759	885794446	/nfs/dbraw/zinc/79/44/46/885794446.db2.gz	VDUHFJGABZHQBX-NVXWUHKLSA-N	1	0	356.470	1.277	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1	ZINC001129128111	885823699	/nfs/dbraw/zinc/82/36/99/885823699.db2.gz	QACIDZQPYFHQHW-VYDXJSESSA-N	1	0	353.442	1.208	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)CCn2nc(C)cc2C)[C@@H](n2ccnn2)C1	ZINC001129144621	885866021	/nfs/dbraw/zinc/86/60/21/885866021.db2.gz	PJQZFRMFEBALDH-SJORKVTESA-N	1	0	357.462	1.099	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2ccc(C)n2)[C@@H](n2ccnn2)C1	ZINC001129147446	885874584	/nfs/dbraw/zinc/87/45/84/885874584.db2.gz	AKPCAYCLEHRUMA-KURKYZTESA-N	1	0	371.489	1.742	20	30		FDEDRO
CN(c1cccc(C#N)c1)[C@H]1CCN(S(=O)(=O)CCC[NH+](C)C)C1	ZINC000919627880	885941871	/nfs/dbraw/zinc/94/18/71/885941871.db2.gz	PBBNEAGGSOJVDN-KRWDZBQOSA-N	1	0	350.488	1.350	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2c(C)nc[nH]c2=O)[C@@H](n2ccnn2)C1	ZINC001129180320	886021472	/nfs/dbraw/zinc/02/14/72/886021472.db2.gz	OIIWJWIKXJUBDA-YUELXQCFSA-N	1	0	371.445	1.092	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)NCC=C)[C@H](C)C2)cn1	ZINC001106896621	886107411	/nfs/dbraw/zinc/10/74/11/886107411.db2.gz	ODDDLYQBHQLIHJ-BFYDXBDKSA-N	1	0	354.454	1.051	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)Cc2ccc(OC)cn2)[C@@H](n2ccnn2)C1	ZINC001129194806	886196322	/nfs/dbraw/zinc/19/63/22/886196322.db2.gz	OILUDVRDYFATPQ-MSOLQXFVSA-N	1	0	370.457	1.232	20	30		FDEDRO
C[C@H](Nc1cncc(C#N)n1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001061889747	886225342	/nfs/dbraw/zinc/22/53/42/886225342.db2.gz	NSJODIPNJLOEOI-JJRVBVJISA-N	1	0	356.474	1.727	20	30		FDEDRO
C[C@H](Nc1nccnc1C#N)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001061890270	886227182	/nfs/dbraw/zinc/22/71/82/886227182.db2.gz	WXJWDYFMSBZNAK-SQWLQELKSA-N	1	0	356.474	1.727	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)CC1	ZINC000919965901	886473356	/nfs/dbraw/zinc/47/33/56/886473356.db2.gz	WCDIOTICKHFFPK-NRFANRHFSA-N	1	0	369.509	1.830	20	30		FDEDRO
C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1)CC2	ZINC001035813538	886499645	/nfs/dbraw/zinc/49/96/45/886499645.db2.gz	AVLAKUTXTQWJBE-PKOBYXMFSA-N	1	0	368.481	1.711	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@@H]1n1ccnn1	ZINC001129209154	886565890	/nfs/dbraw/zinc/56/58/90/886565890.db2.gz	CHXPVGWOANWORG-KSZLIROESA-N	1	0	361.490	1.935	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1	ZINC000994660213	886590157	/nfs/dbraw/zinc/59/01/57/886590157.db2.gz	WKQIEUAMZUAHNR-IIDMSEBBSA-N	1	0	360.502	1.479	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)CC1(C#N)CCCC1)C2	ZINC000920275466	886800422	/nfs/dbraw/zinc/80/04/22/886800422.db2.gz	RZGGNTFJTDAPKI-KONPQCLYSA-N	1	0	369.531	1.469	20	30		FDEDRO
C[NH+]1CCC(NC(=S)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1	ZINC000920309321	886854361	/nfs/dbraw/zinc/85/43/61/886854361.db2.gz	DSZDGALCNVZKKS-UHFFFAOYSA-N	1	0	374.514	1.514	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)C#CC(C)(C)C	ZINC001212249018	886858843	/nfs/dbraw/zinc/85/88/43/886858843.db2.gz	TVZCSUYDZBFVHB-GVDBMIGSSA-N	1	0	352.475	1.047	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CC/C=C/CC)C[C@@H]2n2ccnn2)c1	ZINC001129253237	886873397	/nfs/dbraw/zinc/87/33/97/886873397.db2.gz	SUJZCYFCUSGWSD-YSKLNCTFSA-N	1	0	364.453	1.666	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1	ZINC000920423654	886924778	/nfs/dbraw/zinc/92/47/78/886924778.db2.gz	WLMYNNWOQALIEH-GJZGRUSLSA-N	1	0	352.479	1.984	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccncc2C#N)CC[N@@H+]1C	ZINC001062046929	886937417	/nfs/dbraw/zinc/93/74/17/886937417.db2.gz	WNFMJZLRTAYSBG-XWTMOSNGSA-N	1	0	353.470	1.863	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC(CN(C)c3nccnc3C#N)CC2)CC[N@@H+]1C	ZINC001062234741	886990637	/nfs/dbraw/zinc/99/06/37/886990637.db2.gz	KRBCKZCYDCYTBI-FUHWJXTLSA-N	1	0	370.501	1.753	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)CC[N@@H+](C)CCC	ZINC001062354117	887071511	/nfs/dbraw/zinc/07/15/11/887071511.db2.gz	RHZSBJXLWOCZQG-KURKYZTESA-N	1	0	365.518	1.807	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)n1	ZINC001062601115	887145224	/nfs/dbraw/zinc/14/52/24/887145224.db2.gz	NKIGDBHCJBZAJZ-LUKYLMHMSA-N	1	0	368.485	1.430	20	30		FDEDRO
Cn1nc(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1C1CC1	ZINC000329780587	887233253	/nfs/dbraw/zinc/23/32/53/887233253.db2.gz	MSSGBPXCQZHPPF-NVXWUHKLSA-N	1	0	361.490	2.391	20	30		FDEDRO
CN(CCOCc1ccc(C#N)cc1)C(=O)Nc1ccn(CC[NH+](C)C)n1	ZINC000515536428	887246241	/nfs/dbraw/zinc/24/62/41/887246241.db2.gz	HOJJPTRXRQCOBY-UHFFFAOYSA-N	1	0	370.457	1.997	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C(N)=O)cc2)C1	ZINC001031678423	887310272	/nfs/dbraw/zinc/31/02/72/887310272.db2.gz	JTIBMTDRUABCCH-MSOLQXFVSA-N	1	0	357.454	1.315	20	30		FDEDRO
C[C@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@H]1CCC[NH2+]C1	ZINC000415469676	887348728	/nfs/dbraw/zinc/34/87/28/887348728.db2.gz	XRFUVHYESPPLKU-JSGCOSHPSA-N	1	0	356.405	2.393	20	30		FDEDRO
N#Cc1cnc2ccccc2c1N1CC[NH+](C[C@H](O)Cn2cccn2)CC1	ZINC000195465919	887349664	/nfs/dbraw/zinc/34/96/64/887349664.db2.gz	IXXQDINQIUTESQ-KRWDZBQOSA-N	1	0	362.437	1.486	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN([C@@H]2CCN(C3CCC3)C2=O)C1	ZINC001031680758	887356472	/nfs/dbraw/zinc/35/64/72/887356472.db2.gz	PPEMJNRVMUFOQY-KURKYZTESA-N	1	0	361.486	1.169	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](C[C@@H](O)Cc2ccccc2)C1	ZINC001031680302	887363278	/nfs/dbraw/zinc/36/32/78/887363278.db2.gz	ZYJCQQDILOHGKX-ZCNNSNEGSA-N	1	0	358.482	1.619	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](n2cc(C[NH2+]CC3CC3)nn2)C1	ZINC001089592344	887537529	/nfs/dbraw/zinc/53/75/29/887537529.db2.gz	QRXFYULKTMRORO-BZSNNMDCSA-N	1	0	359.474	1.532	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1	ZINC000373241302	887615651	/nfs/dbraw/zinc/61/56/51/887615651.db2.gz	FGFINCSOAXUHGM-AWEZNQCLSA-N	1	0	353.426	2.427	20	30		FDEDRO
C#CCN(C(=O)NC[C@@H]1CCCO[C@H]1c1cc[nH]n1)C1CC[NH+](C)CC1	ZINC000922977583	887655170	/nfs/dbraw/zinc/65/51/70/887655170.db2.gz	VPANDMOPOVXMSC-MAUKXSAKSA-N	1	0	359.474	1.616	20	30		FDEDRO
C[C@H]1C[NH+](CC2CCN(C(=O)CNc3ccc(C#N)cn3)CC2)C[C@H](C)O1	ZINC000329032747	887692431	/nfs/dbraw/zinc/69/24/31/887692431.db2.gz	QEPIIUJBPYQISE-HOTGVXAUSA-N	1	0	371.485	1.713	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ccccc3OC)C2=O)CC1	ZINC000921426363	887941563	/nfs/dbraw/zinc/94/15/63/887941563.db2.gz	TZEOAAMHQHVGCE-INIZCTEOSA-N	1	0	370.453	1.197	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCCc2ccccc2C)C[C@H]1OC	ZINC001212264699	888247181	/nfs/dbraw/zinc/24/71/81/888247181.db2.gz	OMBXWQLIIWCEBG-DFQSSKMNSA-N	1	0	358.482	1.781	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CC[NH+](CC2)C3)c1	ZINC001005972575	888300629	/nfs/dbraw/zinc/30/06/29/888300629.db2.gz	VYBXZZQITVIMPN-KURKYZTESA-N	1	0	364.449	1.020	20	30		FDEDRO
C#CCN(C(=O)NCCC1N=NC(=S)N1C1CC1)C1CC[NH+](C)CC1	ZINC000923215143	888423681	/nfs/dbraw/zinc/42/36/81/888423681.db2.gz	YLLGGQWDBNDTOW-UHFFFAOYSA-N	1	0	362.503	1.183	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000938614739	888949364	/nfs/dbraw/zinc/94/93/64/888949364.db2.gz	QETHWRNZAFXEQU-ATZDWAIDSA-N	1	0	353.466	1.681	20	30		FDEDRO
C#CCN(C(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C)C1CC[NH+](C)CC1	ZINC000923352407	888989372	/nfs/dbraw/zinc/98/93/72/888989372.db2.gz	QCPZWWUPGQFPSD-OAHLLOKOSA-N	1	0	366.506	1.981	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)CN2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)cc1	ZINC000923378317	889050831	/nfs/dbraw/zinc/05/08/31/889050831.db2.gz	GUMZPRSNKYICLF-YSIASYRMSA-N	1	0	355.413	1.864	20	30		FDEDRO
CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1	ZINC001089693213	889104979	/nfs/dbraw/zinc/10/49/79/889104979.db2.gz	IKPWOGJITDDCNL-ZACQAIPSSA-N	1	0	363.502	1.252	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1	ZINC000938716548	889144809	/nfs/dbraw/zinc/14/48/09/889144809.db2.gz	BNGAJUZEWPSWGG-KSZLIROESA-N	1	0	363.502	1.511	20	30		FDEDRO
C#Cc1ccccc1CC(=O)NC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC000946907806	889407386	/nfs/dbraw/zinc/40/73/86/889407386.db2.gz	ODMVRVWCMITUDG-OXQOHEQNSA-N	1	0	367.493	1.658	20	30		FDEDRO
Cn1cc([C@H]2[C@@H](CNc3ncc([N+](=O)[O-])cc3C#N)CCC[N@@H+]2C)cn1	ZINC000377701778	889630213	/nfs/dbraw/zinc/63/02/13/889630213.db2.gz	KXEOVDFOWKIWLY-MLGOLLRUSA-N	1	0	355.402	2.090	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C1CC1)C1CCCC1	ZINC001127608990	889746182	/nfs/dbraw/zinc/74/61/82/889746182.db2.gz	KWZQOQYTWLAPDO-MSOLQXFVSA-N	1	0	363.502	1.607	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)[C@H]2CCO[C@H]2CNC(=O)OC(C)(C)C)C1	ZINC000923556267	889810506	/nfs/dbraw/zinc/81/05/06/889810506.db2.gz	WVGCPJJQEYHUFL-JYJNAYRXSA-N	1	0	365.474	1.130	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)[C@H](OC)C1	ZINC001212293585	889828148	/nfs/dbraw/zinc/82/81/48/889828148.db2.gz	YGFBSPUPEWDQSM-MKXGPGLRSA-N	1	0	359.470	1.941	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2Cc2ccc(C)cc2)C1	ZINC000923573269	889904372	/nfs/dbraw/zinc/90/43/72/889904372.db2.gz	OCLSPGCCGOAMQY-MOPGFXCFSA-N	1	0	353.466	1.700	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)c2cc(I)c[nH]2)C1	ZINC000923575486	889908236	/nfs/dbraw/zinc/90/82/36/889908236.db2.gz	IBMIUMNJBACOHW-LLVKDONJSA-N	1	0	357.195	1.447	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)c2ccc(CSc3nc[nH]n3)cc2)C1	ZINC000923578952	889932847	/nfs/dbraw/zinc/93/28/47/889932847.db2.gz	JXWKAKOAYPAEIX-INIZCTEOSA-N	1	0	355.467	1.924	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccc(C)cc1C	ZINC001127613148	889940097	/nfs/dbraw/zinc/94/00/97/889940097.db2.gz	RUOQSNPJUNJIOA-AEFFLSMTSA-N	1	0	359.470	1.929	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)CCn2c(=O)c3ccccc3[n-]c2=S)C1	ZINC000923586653	890022529	/nfs/dbraw/zinc/02/25/29/890022529.db2.gz	GDBIEUKWVMFYNU-CQSZACIVSA-N	1	0	370.478	1.289	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)NC(=O)C2CCCC2)[C@H](OC)C1	ZINC001212318662	890065598	/nfs/dbraw/zinc/06/55/98/890065598.db2.gz	FUMIUERTSIPYAO-USXIJHARSA-N	1	0	351.491	1.463	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(OC)cc2)C[C@H]1C	ZINC001106912570	890068477	/nfs/dbraw/zinc/06/84/77/890068477.db2.gz	IXHNNCYULKKAMJ-BFYDXBDKSA-N	1	0	357.454	1.131	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H](CCC)C(C)C)[C@@H](n2ccnn2)C1	ZINC001129292773	890119763	/nfs/dbraw/zinc/11/97/63/890119763.db2.gz	ALPMTILCLAXZKO-KURKYZTESA-N	1	0	363.506	1.895	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)CCC[NH+](C)C)CC1	ZINC001079051679	890133307	/nfs/dbraw/zinc/13/33/07/890133307.db2.gz	BJNBLENQADXOQQ-KURKYZTESA-N	1	0	365.518	1.759	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](Nc3cncc(C#N)n3)CC2)CC[N@@H+]1C	ZINC001063408613	890505135	/nfs/dbraw/zinc/50/51/35/890505135.db2.gz	HAJUACHUHHYYPL-NXNVCVFFSA-N	1	0	356.474	1.918	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNC(=O)C(C)(C)[N@@H+](C)CC)CCC1	ZINC001063451893	890538876	/nfs/dbraw/zinc/53/88/76/890538876.db2.gz	MXPFDAIGAKOXJQ-CABCVRRESA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccnn2C2CCCC2)[C@H](OC)C1	ZINC001212342766	890720291	/nfs/dbraw/zinc/72/02/91/890720291.db2.gz	QYEKYICRWSVFPM-SJLPKXTDSA-N	1	0	362.474	1.630	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[NH+]3CCC(C)CC3)C2)nc1	ZINC000939490647	890742077	/nfs/dbraw/zinc/74/20/77/890742077.db2.gz	LGMASBIDIUFTCM-VQIMIIECSA-N	1	0	368.481	1.372	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[NH+]3CCC(C)CC3)C2)cc1	ZINC000939490667	890742489	/nfs/dbraw/zinc/74/24/89/890742489.db2.gz	LVNOMLWSXZKFQA-YLJYHZDGSA-N	1	0	367.493	1.977	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2ccccc2)C[C@H]1C	ZINC001106914652	890800776	/nfs/dbraw/zinc/80/07/76/890800776.db2.gz	XOBSFRURHKGKDT-ZIFCJYIRSA-N	1	0	355.482	1.441	20	30		FDEDRO
NC(=O)[C@@H]1CC[C@H](C(=O)NCC2CC[NH+](CC#Cc3ccccc3)CC2)C1	ZINC001001840170	891407156	/nfs/dbraw/zinc/40/71/56/891407156.db2.gz	RHYNBEUGCDCMCR-UXHICEINSA-N	1	0	367.493	1.768	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(Cc2nnc(C3CC3)[nH]2)CC1	ZINC001001852676	891456587	/nfs/dbraw/zinc/45/65/87/891456587.db2.gz	UTYDQOYQBDOGNX-CVEARBPZSA-N	1	0	359.474	1.601	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CCC[NH+]2CCC3)c1	ZINC001001896358	891581789	/nfs/dbraw/zinc/58/17/89/891581789.db2.gz	ZZYFDNIBZSMTOS-INMHGKMJSA-N	1	0	367.453	1.376	20	30		FDEDRO
CC1CC[NH+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(C#N)c[nH]2)C3)CC1	ZINC001001898030	891585959	/nfs/dbraw/zinc/58/59/59/891585959.db2.gz	XIIUGZNKLPEJTB-NUJGCVRESA-N	1	0	369.469	1.480	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CC2(C)C)C3)CC1	ZINC001002093809	891916323	/nfs/dbraw/zinc/91/63/23/891916323.db2.gz	XCARMWJOCBLICX-TVFCKZIOSA-N	1	0	357.498	1.626	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H](C)c3ccco3)C2)CC1	ZINC000940248890	892083476	/nfs/dbraw/zinc/08/34/76/892083476.db2.gz	PLCOXQHZJDCSRP-JFIYKMOQSA-N	1	0	371.481	1.691	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccc(C)nc2N2CCCC2)CC1	ZINC000921874474	892367345	/nfs/dbraw/zinc/36/73/45/892367345.db2.gz	USZPJAMZUVMXDY-UHFFFAOYSA-N	1	0	355.486	1.887	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C	ZINC000940379518	892392319	/nfs/dbraw/zinc/39/23/19/892392319.db2.gz	KRFROTKMCPEPDH-TVFCKZIOSA-N	1	0	363.502	1.273	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](OC)C2CCCC2)C[C@H]1C	ZINC001106927144	892925170	/nfs/dbraw/zinc/92/51/70/892925170.db2.gz	AJJJMAQAFDPHIB-KYJSFNMBSA-N	1	0	351.491	1.178	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000670992033	892943251	/nfs/dbraw/zinc/94/32/51/892943251.db2.gz	UMEZLLNOXMMMDD-SFHVURJKSA-N	1	0	358.486	1.126	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cc3c(cn2)OCCC3)C[C@H]1C	ZINC001106928094	892983834	/nfs/dbraw/zinc/98/38/34/892983834.db2.gz	KTEKXCSKDNWQOH-NVXWUHKLSA-N	1	0	359.470	1.907	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cc3c(cn2)nc[nH]c3=O)C[C@H]1C	ZINC001106929164	893006090	/nfs/dbraw/zinc/00/60/90/893006090.db2.gz	BRLKETTYCSBEFO-ZIAGYGMSSA-N	1	0	355.442	1.994	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1	ZINC000940720484	893011116	/nfs/dbraw/zinc/01/11/16/893011116.db2.gz	WMAPXRMSIMLSGD-AOIWGVFYSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)[C@H](C)C2)CCOCC1	ZINC001106933077	893033566	/nfs/dbraw/zinc/03/35/66/893033566.db2.gz	BRZRRRUTZZEPBA-IXDOHACOSA-N	1	0	365.518	1.520	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](c3cc[nH]n3)C2)CC1	ZINC000672356314	893174747	/nfs/dbraw/zinc/17/47/47/893174747.db2.gz	POHDSEXJQNHXLU-HNNXBMFYSA-N	1	0	359.474	1.272	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C(F)(F)F)CC[C@H]2C)CC1	ZINC000672355507	893175358	/nfs/dbraw/zinc/17/53/58/893175358.db2.gz	ZEGIDOSSDPIBCJ-CHWSQXEVSA-N	1	0	361.408	1.942	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(F)cc2Cl)C[C@H]1C	ZINC001106942450	893288176	/nfs/dbraw/zinc/28/81/76/893288176.db2.gz	KWJLGBUAKLMQLH-CHWSQXEVSA-N	1	0	365.836	1.526	20	30		FDEDRO
C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2c2ccccc2)C1	ZINC000940819294	893305414	/nfs/dbraw/zinc/30/54/14/893305414.db2.gz	SGPNBAWZXSVLEY-SLFFLAALSA-N	1	0	365.477	1.462	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C(C)(C)C1	ZINC000940842670	893330056	/nfs/dbraw/zinc/33/00/56/893330056.db2.gz	MCDQHRXZOPWEMM-MCIONIFRSA-N	1	0	362.392	1.573	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2cccc(OC)c2)C[C@H]1C	ZINC001106944868	893530385	/nfs/dbraw/zinc/53/03/85/893530385.db2.gz	RHCYQOUTZGMPJE-SOLBZPMBSA-N	1	0	371.481	1.060	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCCC2=O)CC1(C)C	ZINC000941047041	893727773	/nfs/dbraw/zinc/72/77/73/893727773.db2.gz	TVKOWUISBKPAGZ-IKGGRYGDSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C(C)(C)C1	ZINC000941091518	893844095	/nfs/dbraw/zinc/84/40/95/893844095.db2.gz	VRBOKVRUESQGGQ-KZNAEPCWSA-N	1	0	358.486	1.528	20	30		FDEDRO
Cc1c2ccccc2oc1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106951026	894026587	/nfs/dbraw/zinc/02/65/87/894026587.db2.gz	NSCMNKATXBQLOS-UKRRQHHQSA-N	1	0	368.437	1.679	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[N@@H+](C[C@H](O)c4ccc(F)cc4)C[C@H]32)c1	ZINC001084261678	913867580	/nfs/dbraw/zinc/86/75/80/913867580.db2.gz	SUWPZJKTYLMWMF-LZQZEXGQSA-N	1	0	368.412	1.905	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C(=O)OC)cc1F	ZINC000922022916	894400067	/nfs/dbraw/zinc/40/00/67/894400067.db2.gz	QNDQMOVXHAHNMO-UHFFFAOYSA-N	1	0	368.430	1.330	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cnn(-c2ccccc2)c1	ZINC000922024224	894455913	/nfs/dbraw/zinc/45/59/13/894455913.db2.gz	NMRXCPHQUCOPCA-UHFFFAOYSA-N	1	0	358.467	1.590	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C)sc1[N+](=O)[O-]	ZINC000922024709	894514436	/nfs/dbraw/zinc/51/44/36/894514436.db2.gz	ICUCGBNGDIPCCW-UHFFFAOYSA-N	1	0	357.457	1.683	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1	ZINC001002845046	894575163	/nfs/dbraw/zinc/57/51/63/894575163.db2.gz	NLLVDLBQRCRQPA-RDTXWAMCSA-N	1	0	354.454	1.554	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1	ZINC000941309638	894717292	/nfs/dbraw/zinc/71/72/92/894717292.db2.gz	IGGZADPBWAFGGI-SQNIBIBYSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)CC[NH+]2CCCCC2)CC1	ZINC000941329053	894732387	/nfs/dbraw/zinc/73/23/87/894732387.db2.gz	NOBUQXIFYTYUQD-MSOLQXFVSA-N	1	0	363.502	1.514	20	30		FDEDRO
N#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](C[C@H](O)c4ccc(F)cc4)C[C@H]32)[nH]1	ZINC001084283521	913924809	/nfs/dbraw/zinc/92/48/09/913924809.db2.gz	DTPBQIYKDSKINO-ZMYBRWDISA-N	1	0	368.412	1.905	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2cccnc2OC(C)C)CC1	ZINC000671044907	895044226	/nfs/dbraw/zinc/04/42/26/895044226.db2.gz	ZHCCIJQTCTVOBJ-UHFFFAOYSA-N	1	0	374.485	1.642	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CCn4ccnn4)[C@@H]3C2)cc1	ZINC001084307608	913954717	/nfs/dbraw/zinc/95/47/17/913954717.db2.gz	NRWBWKMIEXXTDK-QZTJIDSGSA-N	1	0	350.426	1.273	20	30		FDEDRO
Cn1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(OCC#N)cc4)C[C@H]32)nn1	ZINC001084323470	914006896	/nfs/dbraw/zinc/00/68/96/914006896.db2.gz	UTVUDIALUGCNJH-CRAIPNDOSA-N	1	0	366.425	1.064	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@H]1C	ZINC001106962767	896036970	/nfs/dbraw/zinc/03/69/70/896036970.db2.gz	ULBDPZHBVPISFO-IAGOWNOFSA-N	1	0	355.482	1.398	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@H](C)O[C@@H](C)[C@H]1C)C(C)C	ZINC000671082101	896163522	/nfs/dbraw/zinc/16/35/22/896163522.db2.gz	WCGDYPNMICSWTB-XWTMOSNGSA-N	1	0	365.518	1.826	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)C[NH+]2CCC(C)CC2)CC1	ZINC000942074948	896301024	/nfs/dbraw/zinc/30/10/24/896301024.db2.gz	KGOMBVZOLQJGSZ-MSOLQXFVSA-N	1	0	363.502	1.370	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3ccncc3)nn2)C1	ZINC000999985292	896514143	/nfs/dbraw/zinc/51/41/43/896514143.db2.gz	AYDWAYJGICGTAC-GBESFXJTSA-N	1	0	366.469	1.916	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCO[C@H]3C(C)C)nn2)C1	ZINC000999986299	896517335	/nfs/dbraw/zinc/51/73/35/896517335.db2.gz	HRSHZMMURQMGMF-BZSNNMDCSA-N	1	0	361.490	1.778	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)C1	ZINC001077957641	897136318	/nfs/dbraw/zinc/13/63/18/897136318.db2.gz	PGSILSJORZZEAH-UAXWRAGISA-N	1	0	352.356	1.392	20	30		FDEDRO
C#CC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@@H]3CCO[C@H]3CC)C2)n1	ZINC001128113594	897216241	/nfs/dbraw/zinc/21/62/41/897216241.db2.gz	YAUBEWDAGPNBEU-KURKYZTESA-N	1	0	356.470	1.314	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCc3cccc(F)c3)C[C@H]2O)cn1	ZINC001078032250	897674181	/nfs/dbraw/zinc/67/41/81/897674181.db2.gz	FIPHYGKOWIJRGK-WOJBJXKFSA-N	1	0	367.424	1.610	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC000995275653	897720505	/nfs/dbraw/zinc/72/05/05/897720505.db2.gz	SVNCOKVVPFLIPW-QRVBRYPASA-N	1	0	370.497	1.820	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(CC)C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000942751906	897737004	/nfs/dbraw/zinc/73/70/04/897737004.db2.gz	IUURYCIWJUPGLU-FGTMMUONSA-N	1	0	371.485	1.680	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(Cl)cn2CC)C[C@H]1C	ZINC001106989787	897792668	/nfs/dbraw/zinc/79/26/68/897792668.db2.gz	VRLPVVIWLUKUHZ-ZIAGYGMSSA-N	1	0	364.877	1.209	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccc3oc(=O)[nH]c3c2)[C@H](OC)C1	ZINC001212436641	897877758	/nfs/dbraw/zinc/87/77/58/897877758.db2.gz	AVXYXTOUWIJMKY-GDBMZVCRSA-N	1	0	361.398	1.165	20	30		FDEDRO
C=C(Br)CN1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C1	ZINC001212436893	897892375	/nfs/dbraw/zinc/89/23/75/897892375.db2.gz	PCBBOGWYTUEXDY-MCIONIFRSA-N	1	0	362.312	1.297	20	30		FDEDRO
CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1	ZINC000942815313	897903285	/nfs/dbraw/zinc/90/32/85/897903285.db2.gz	WYTQFZVUWNMCLY-VNQPRFMTSA-N	1	0	357.458	1.290	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cnns2)C1	ZINC001078402447	898734036	/nfs/dbraw/zinc/73/40/36/898734036.db2.gz	NTLGALYFSOMTSI-BMFZPTHFSA-N	1	0	366.487	1.226	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cc(C)n(C)n2)C1	ZINC001078471914	898800509	/nfs/dbraw/zinc/80/05/09/898800509.db2.gz	IVAVBRVWDWGZSR-KSZLIROESA-N	1	0	362.474	1.027	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cnc(C)s2)C1	ZINC001078472314	898802133	/nfs/dbraw/zinc/80/21/33/898802133.db2.gz	UCNQFHBCHYMOPE-OIISXLGYSA-N	1	0	365.499	1.750	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cnoc2C)C1	ZINC001078486337	898843723	/nfs/dbraw/zinc/84/37/23/898843723.db2.gz	VKALTESOVISSHE-SQNIBIBYSA-N	1	0	363.458	1.671	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cccnc2)C1	ZINC001078486529	898844338	/nfs/dbraw/zinc/84/43/38/898844338.db2.gz	YENLEJRVSNHVTM-FHWLQOOXSA-N	1	0	359.470	1.770	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12	ZINC000995347039	898872691	/nfs/dbraw/zinc/87/26/91/898872691.db2.gz	IAMNGVWSZANDLD-YLJYHZDGSA-N	1	0	355.482	1.383	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CNc3cc(C)ncc3C#N)C2)CC[N@@H+]1C	ZINC001061014098	899092232	/nfs/dbraw/zinc/09/22/32/899092232.db2.gz	GQSOPDYXWKUBAG-VDZJLULYSA-N	1	0	355.486	1.674	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c1	ZINC000943713109	899229900	/nfs/dbraw/zinc/22/99/00/899229900.db2.gz	UFLWYFYNGYYFJT-UTRMSSBJSA-N	1	0	368.481	1.560	20	30		FDEDRO
CC#CCCCC(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1	ZINC001061021927	899275370	/nfs/dbraw/zinc/27/53/70/899275370.db2.gz	AGYPFYPMFQXZLK-QZTJIDSGSA-N	1	0	359.514	1.971	20	30		FDEDRO
C=CCC1(C(=O)NC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)CCC1	ZINC001065206113	914339002	/nfs/dbraw/zinc/33/90/02/914339002.db2.gz	JNMMQDAWDORVPF-BRWVUGGUSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](OC)C1	ZINC000943796989	899417830	/nfs/dbraw/zinc/41/78/30/899417830.db2.gz	SWDOZTXOAYCFAX-HLIPFELVSA-N	1	0	370.453	1.892	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CC2CCC2)C3)CC1	ZINC001001828708	899475715	/nfs/dbraw/zinc/47/57/15/899475715.db2.gz	JLBKKSSSCXVHJK-QRVBRYPASA-N	1	0	357.498	1.770	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)NC(=O)c2ccco2)C[C@H]1C	ZINC001107009763	899520915	/nfs/dbraw/zinc/52/09/15/899520915.db2.gz	ZATYPEBINIBKJW-OWCLPIDISA-N	1	0	363.458	1.285	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2ccccc2)C[C@H]1C	ZINC001107012414	899537985	/nfs/dbraw/zinc/53/79/85/899537985.db2.gz	RTCFLNLWDKWKGG-YQVWRLOYSA-N	1	0	355.482	1.299	20	30		FDEDRO
C=C[C@@H](C(=O)N1C[C@@H](C[NH2+]CCn2cncn2)[C@H](C)C1)c1ccccc1	ZINC001107018166	899557573	/nfs/dbraw/zinc/55/75/73/899557573.db2.gz	HFRWREUXUKZFSQ-BHIYHBOVSA-N	1	0	353.470	1.932	20	30		FDEDRO
C=C[C@@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)c1ccccc1	ZINC001107019150	899562324	/nfs/dbraw/zinc/56/23/24/899562324.db2.gz	UDEWOVXOLLTEHI-ZIFCJYIRSA-N	1	0	368.481	1.670	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)CCc2cnn(C)c2)C[C@H]1C	ZINC001107026283	899629367	/nfs/dbraw/zinc/62/93/67/899629367.db2.gz	LUFMVDXFCJQOTJ-IUODEOHRSA-N	1	0	369.307	1.945	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2ccc(C)o2)C[C@H]1C	ZINC001107029625	899642034	/nfs/dbraw/zinc/64/20/34/899642034.db2.gz	XFTXIASZQHDGSP-DJIMGWMZSA-N	1	0	359.470	1.343	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(C)s2)C[C@H]1C	ZINC001107030679	899647544	/nfs/dbraw/zinc/64/75/44/899647544.db2.gz	RSJZJKDAHBJTNZ-VNQPRFMTSA-N	1	0	361.511	1.421	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C)C[C@H]1C	ZINC001107040586	900042810	/nfs/dbraw/zinc/04/28/10/900042810.db2.gz	IPXAXEVELDJQHG-GDBMZVCRSA-N	1	0	370.453	1.226	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](c2cccnc2)N(C)C)C[C@H]1C	ZINC001107044454	900082722	/nfs/dbraw/zinc/08/27/22/900082722.db2.gz	BQLORINPQHUXKH-BHIYHBOVSA-N	1	0	358.486	1.018	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c(C)nsc2C)C[C@H]1C	ZINC001107047894	900126382	/nfs/dbraw/zinc/12/63/82/900126382.db2.gz	GFQMDYZKKMTNAM-OSAQELSMSA-N	1	0	364.515	1.748	20	30		FDEDRO
CC[C@@]1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)CCNC1=O	ZINC001084422462	914417453	/nfs/dbraw/zinc/41/74/53/914417453.db2.gz	ZQZNFOATJSSUCB-DBXWQHBBSA-N	1	0	366.465	1.507	20	30		FDEDRO
C=C1CCC(C(=O)N2CCO[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1	ZINC000944617116	900372090	/nfs/dbraw/zinc/37/20/90/900372090.db2.gz	UAHJSRVVWBECGG-KBAYOESNSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)n2nc(C)cc2C)C[C@H]1C	ZINC001107068134	900473432	/nfs/dbraw/zinc/47/34/32/900473432.db2.gz	RHGLNMYXFDMOCL-KBRIMQKVSA-N	1	0	361.490	1.047	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1	ZINC000763904092	900559431	/nfs/dbraw/zinc/55/94/31/900559431.db2.gz	XNVLNXWUCJMLDO-UHFFFAOYSA-N	1	0	363.439	1.814	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CCCC2)C3)CC1	ZINC000995591112	900647436	/nfs/dbraw/zinc/64/74/36/900647436.db2.gz	TWPYFNWARGCLQI-QYZOEREBSA-N	1	0	357.498	1.770	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(-n3ccnn3)c2)C[C@H]1C	ZINC001107092865	900845809	/nfs/dbraw/zinc/84/58/09/900845809.db2.gz	KUSWQVNWQBJZBD-SJLPKXTDSA-N	1	0	367.453	1.215	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c3ccc(F)cc32)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001107093417	900848809	/nfs/dbraw/zinc/84/88/09/900848809.db2.gz	ZFXUWYOLYORCRB-CHWSQXEVSA-N	1	0	371.416	1.244	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](CC)Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129307835	901074300	/nfs/dbraw/zinc/07/43/00/901074300.db2.gz	QAVPGTISPIFDIS-AQNXPRMDSA-N	1	0	365.481	1.912	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCCCO2)[C@@H](n2ccnn2)C1	ZINC001129307524	901075681	/nfs/dbraw/zinc/07/56/81/901075681.db2.gz	FBFLNZBYSDKUSC-KSZLIROESA-N	1	0	361.490	1.935	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(c3ccc(C#N)nc3)CCO2)CC[N@@H+]1C	ZINC001063670588	901091898	/nfs/dbraw/zinc/09/18/98/901091898.db2.gz	LSSUHUJMVPHNNX-FGTMMUONSA-N	1	0	357.458	1.005	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCCCO2)[C@@H](n2ccnn2)C1	ZINC001129307909	901102497	/nfs/dbraw/zinc/10/24/97/901102497.db2.gz	TYEGJUIWAKOIGT-KURKYZTESA-N	1	0	361.490	1.935	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](OC)C2CCCCC2)C[C@H]1C	ZINC001107103007	901147873	/nfs/dbraw/zinc/14/78/73/901147873.db2.gz	BJFCOTAVFXQENF-SUMDDJOVSA-N	1	0	363.502	1.015	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCCC)C[C@@H]1n1ccnn1	ZINC001129312486	901275234	/nfs/dbraw/zinc/27/52/34/901275234.db2.gz	FYVUIZLHTQDPRH-MHORFTMASA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH]cn2)[C@@H](n2ccnn2)C1	ZINC001129312691	901276253	/nfs/dbraw/zinc/27/62/53/901276253.db2.gz	LOYXDURARXAHKZ-UAGQMJEPSA-N	1	0	357.462	1.188	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CCN(c4nccnc4C#N)C3)C2)CC[N@@H+]1C	ZINC001064650063	901519757	/nfs/dbraw/zinc/51/97/57/901519757.db2.gz	NNGDBQMLCQYCKQ-SPYBWZPUSA-N	1	0	354.458	1.117	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2c[nH]c(C)n2)C1	ZINC001079129830	901937593	/nfs/dbraw/zinc/93/75/93/901937593.db2.gz	JLHOJHANZDNGNE-RTBURBONSA-N	1	0	352.438	1.429	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(=O)n(C)o2)CC[C@H]1c1ccc(F)cc1	ZINC001079151459	901985680	/nfs/dbraw/zinc/98/56/80/901985680.db2.gz	UAXVIDONPHEXNI-JKSUJKDBSA-N	1	0	357.385	1.339	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+][C@@H]2CCNC2=O)C1	ZINC001079152430	901988378	/nfs/dbraw/zinc/98/83/78/901988378.db2.gz	LWEMUUIAVXVWIS-IPMKNSEASA-N	1	0	369.440	1.402	20	30		FDEDRO
C[NH+](C)[C@H](C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NCC#N)C1)C1CC1	ZINC001079153673	901990014	/nfs/dbraw/zinc/99/00/14/901990014.db2.gz	UMTMYHWNRKKAMG-OTWHNJEPSA-N	1	0	358.461	1.964	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]Cc2cnns2)C1	ZINC001079174875	902058503	/nfs/dbraw/zinc/05/85/03/902058503.db2.gz	KMCRSFOBCGTUON-XFBWCDHKSA-N	1	0	359.430	1.921	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1c1cccc(F)c1)C(N)=O	ZINC001079178148	902063713	/nfs/dbraw/zinc/06/37/13/902063713.db2.gz	WZKWYUJTKWVLOD-XQAQDONZSA-N	1	0	369.400	1.097	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)CC[C@H]1c1ccc(F)cc1	ZINC001079154855	902069984	/nfs/dbraw/zinc/06/99/84/902069984.db2.gz	ZUPSTPNTGLIOKX-JKSUJKDBSA-N	1	0	369.396	1.739	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@H]1c1cccc(F)c1	ZINC001079210092	902119257	/nfs/dbraw/zinc/11/92/57/902119257.db2.gz	YBCDNJKUKPXZHR-ZWKOTPCHSA-N	1	0	353.397	1.205	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2cc(OC)no2)C[C@H]1c1cccc(F)c1	ZINC001079185379	902129289	/nfs/dbraw/zinc/12/92/89/902129289.db2.gz	MRAIUOFWLRUAGQ-ZWKOTPCHSA-N	1	0	371.412	1.972	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cnccc2OC)C[C@H]1c1cccc(F)c1	ZINC001079188761	902138629	/nfs/dbraw/zinc/13/86/29/902138629.db2.gz	PHHMYYFCDUWIFJ-RBUKOAKNSA-N	1	0	367.424	1.989	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2COCCN2CC)C[C@H]1c1cccc(F)c1	ZINC001079189033	902140080	/nfs/dbraw/zinc/14/00/80/902140080.db2.gz	CRRBRTHLJIFQLP-IPMKNSEASA-N	1	0	359.445	1.064	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCCC(=O)N2)C[C@H]1c1cccc(F)c1	ZINC001079190225	902143116	/nfs/dbraw/zinc/14/31/16/902143116.db2.gz	GWIUNBNMLVDMFC-FGTMMUONSA-N	1	0	357.429	1.402	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cc[nH]c(=O)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079232876	902167008	/nfs/dbraw/zinc/16/70/08/902167008.db2.gz	CCDABQOOEQOAEJ-DLBZAZTESA-N	1	0	355.438	1.364	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)CCc3ncc[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079239520	902186928	/nfs/dbraw/zinc/18/69/28/902186928.db2.gz	YLMOVFJIUJUGRD-DLBZAZTESA-N	1	0	356.470	1.305	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C(C)=O)C[C@H]1c1cccc(F)c1	ZINC001079212004	902196499	/nfs/dbraw/zinc/19/64/99/902196499.db2.gz	DKQMOKRXVNRMNQ-IPMKNSEASA-N	1	0	357.429	1.354	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)cn2)C[C@H]1c1cccc(F)c1	ZINC001079212271	902197938	/nfs/dbraw/zinc/19/79/38/902197938.db2.gz	RNRMTDAOGBFFFC-FUHWJXTLSA-N	1	0	366.396	1.151	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)Cn3cc(C)cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079227318	902239830	/nfs/dbraw/zinc/23/98/30/902239830.db2.gz	MRHILHSMQIZRMM-ZWKOTPCHSA-N	1	0	358.486	1.707	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ccn(C(C)(C)C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079245042	902252005	/nfs/dbraw/zinc/25/20/05/902252005.db2.gz	ULHLJPVWAQCTPN-FUHWJXTLSA-N	1	0	370.497	1.824	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)Cc3nc(CC)c[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079245650	902256126	/nfs/dbraw/zinc/25/61/26/902256126.db2.gz	DUPREFITOWJMHH-DLBZAZTESA-N	1	0	358.486	1.640	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cccc(C(N)=O)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079248130	902263130	/nfs/dbraw/zinc/26/31/30/902263130.db2.gz	JGYJTZPPAYQYMM-ZWKOTPCHSA-N	1	0	369.465	1.525	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCn4nccc43)[C@@H]3COC[C@@H]32)CC1	ZINC001079248271	902264112	/nfs/dbraw/zinc/26/41/12/902264112.db2.gz	PKWSELOEXQWVTB-JENIJYKNSA-N	1	0	370.497	1.886	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc(C)c(C)cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079252352	902275003	/nfs/dbraw/zinc/27/50/03/902275003.db2.gz	HGEMRXRUQQRSOP-PKOBYXMFSA-N	1	0	353.466	1.885	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)CCn3ccnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079254657	902280934	/nfs/dbraw/zinc/28/09/34/902280934.db2.gz	NYCZLUZKIUHBDC-ZWKOTPCHSA-N	1	0	358.486	1.789	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC3(CC[NH+](CCOC)CC3)[C@H]3COC[C@H]32)nc1	ZINC001079270421	902330113	/nfs/dbraw/zinc/33/01/13/902330113.db2.gz	RCZGZHBMFLMLBR-PKOBYXMFSA-N	1	0	369.465	1.262	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(OCC)n[nH]2)C[C@H]1c1ccccc1F	ZINC001079299313	902343620	/nfs/dbraw/zinc/34/36/20/902343620.db2.gz	JARHRJHPUBJJSA-WMLDXEAASA-N	1	0	356.401	1.779	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ncc(OC)cn2)C[C@H]1c1ccccc1F	ZINC001079303055	902352918	/nfs/dbraw/zinc/35/29/18/902352918.db2.gz	YSANODFJOCHSND-DOTOQJQBSA-N	1	0	354.385	1.455	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CCc2ccnn2C)C1	ZINC001079286920	902382508	/nfs/dbraw/zinc/38/25/08/902382508.db2.gz	GRVGUTHZIJLXHM-DKSSEZFCSA-N	1	0	369.444	1.846	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@H]1c1ccccc1F	ZINC001079291903	902391970	/nfs/dbraw/zinc/39/19/70/902391970.db2.gz	QJRYEJWAIUECDW-QILLFSRXSA-N	1	0	359.445	1.812	20	30		FDEDRO
N#CCN[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1c1ccccc1F	ZINC001079295402	902399340	/nfs/dbraw/zinc/39/93/40/902399340.db2.gz	FKUIWKXOUWRSPX-ZIFCJYIRSA-N	1	0	356.445	1.575	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]CCO)C2)cn1	ZINC001079318672	902419161	/nfs/dbraw/zinc/41/91/61/902419161.db2.gz	RHIFLDZFOPITIT-PKOBYXMFSA-N	1	0	353.397	1.392	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn3cc[nH]c23)C[C@H]1c1ccccc1F	ZINC001079319908	902421686	/nfs/dbraw/zinc/42/16/86/902421686.db2.gz	WBYMYFJGUOBERG-DOTOQJQBSA-N	1	0	351.385	1.633	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cnn(C)c2)C[C@H]1c1ccccc1F	ZINC001079323485	902427681	/nfs/dbraw/zinc/42/76/81/902427681.db2.gz	RITPYLWFXQVOSY-UCLAIMLFSA-N	1	0	354.429	1.880	20	30		FDEDRO
C[NH+](C)[C@@H](C(=O)N1C[C@H]2CCN(Cc3ccc(C#N)s3)C[C@H]21)C1CC1	ZINC001084406172	914624593	/nfs/dbraw/zinc/62/45/93/914624593.db2.gz	IFIALCOVARDMDW-ZTFGCOKTSA-N	1	0	358.511	1.993	20	30		FDEDRO
C[NH+](C)[C@H](C(=O)N1C[C@H]2CCN(Cc3cccc(C#N)c3)C[C@H]21)C1CC1	ZINC001084406708	914627007	/nfs/dbraw/zinc/62/70/07/914627007.db2.gz	WZOWGKFHTRNNDO-AQNXPRMDSA-N	1	0	352.482	1.931	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)C[C@H]1COC(=O)C1	ZINC001079572335	902812100	/nfs/dbraw/zinc/81/21/00/902812100.db2.gz	PBGDBRHSPPNSKO-QGPMSJSTSA-N	1	0	371.437	1.479	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(C#N)[nH]2)C3)CC[N@@H+]1C	ZINC000996104482	903047146	/nfs/dbraw/zinc/04/71/46/903047146.db2.gz	QGRGLWIJSVBJHN-RGTXSCMUSA-N	1	0	355.442	1.088	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(C#N)c1)C2	ZINC000996126223	903160340	/nfs/dbraw/zinc/16/03/40/903160340.db2.gz	LRYVWSSNXVTQAL-VSZNYVQBSA-N	1	0	369.469	1.622	20	30		FDEDRO
C=CCCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCCO[C@H]3C=C)nn2)C1	ZINC001107172718	903548239	/nfs/dbraw/zinc/54/82/39/903548239.db2.gz	ITLFNORHBQKTSO-MSOLQXFVSA-N	1	0	359.474	1.698	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001079860932	903552254	/nfs/dbraw/zinc/55/22/54/903552254.db2.gz	FJGGZSUGMADKNE-HYVNUMGLSA-N	1	0	351.491	1.367	20	30		FDEDRO
Cn1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)cc1=O	ZINC001084460044	914729258	/nfs/dbraw/zinc/72/92/58/914729258.db2.gz	GKMIYWZBWNLRFC-RTBURBONSA-N	1	0	362.433	1.603	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@H]1CCCNC1=O	ZINC001079894979	903696472	/nfs/dbraw/zinc/69/64/72/903696472.db2.gz	NKQYYAYKRALBQL-FHLIZLRMSA-N	1	0	370.453	1.052	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cncc(OC)n2)C(C)(C)C1	ZINC000996331002	903711941	/nfs/dbraw/zinc/71/19/41/903711941.db2.gz	OOEJCFAVHAFNCQ-OWCLPIDISA-N	1	0	360.458	1.403	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3coc(S(N)(=O)=O)c3)[C@@H]2C1	ZINC001084462609	914746121	/nfs/dbraw/zinc/74/61/21/914746121.db2.gz	VQNMMZMPIQVHJS-TZMCWYRMSA-N	1	0	353.444	1.040	20	30		FDEDRO
C=CCC[C@@H](C)[NH+]1CC(n2cc(CNC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)nn2)C1	ZINC001107188534	903753659	/nfs/dbraw/zinc/75/36/59/903753659.db2.gz	XLDBWHXWYMSVCS-LVFSCSRESA-N	1	0	373.501	1.921	20	30		FDEDRO
COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1C#N	ZINC000996429921	903914313	/nfs/dbraw/zinc/91/43/13/903914313.db2.gz	WXVRSBJHOMBCJW-HZPDHXFCSA-N	1	0	358.398	1.313	20	30		FDEDRO
C=CCCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3c3cncn3C)nn2)C1	ZINC001107212257	903957238	/nfs/dbraw/zinc/95/72/38/903957238.db2.gz	WTSGEIZZFAROPZ-IAGOWNOFSA-N	1	0	369.473	1.254	20	30		FDEDRO
C=CCn1cccc1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2	ZINC000996548783	904099061	/nfs/dbraw/zinc/09/90/61/904099061.db2.gz	NVERPUKADDFYIB-YVSFHVDLSA-N	1	0	356.470	1.488	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(F)cc3)CCC[C@@H]12	ZINC001107252668	904137716	/nfs/dbraw/zinc/13/77/16/904137716.db2.gz	PLRXVGROUKATMI-VQIMIIECSA-N	1	0	358.417	1.440	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(F)c3)CCC[C@@H]12	ZINC001107263706	904208240	/nfs/dbraw/zinc/20/82/40/904208240.db2.gz	JWTMKMALKDJDQA-VQIMIIECSA-N	1	0	358.417	1.440	20	30		FDEDRO
CC(=O)N[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2	ZINC001107267830	904236728	/nfs/dbraw/zinc/23/67/28/904236728.db2.gz	LUMHDJLUSCVSMV-UCNVEGJOSA-N	1	0	367.493	1.924	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@H]3OCC[C@H]3C(C)C)CC2)C1=O	ZINC000996580839	904241970	/nfs/dbraw/zinc/24/19/70/904241970.db2.gz	TVBFHFOTEZOCPF-BZSNNMDCSA-N	1	0	363.502	1.415	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3ccco3)CCC[C@@H]12	ZINC001107273947	904294289	/nfs/dbraw/zinc/29/42/89/904294289.db2.gz	JSQMURPTYWAQTG-VQIMIIECSA-N	1	0	358.442	1.213	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@@]3(CNC(=O)COC(C)C)CCC[C@@H]23)C1=O	ZINC001107316452	904435639	/nfs/dbraw/zinc/43/56/39/904435639.db2.gz	KPUNWUMPZPRWIS-MBOZVWFJSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@@]3(CNC(=O)CCOCC)CCC[C@@H]23)C1=O	ZINC001107328074	904489249	/nfs/dbraw/zinc/48/92/49/904489249.db2.gz	XNDMTZNJOUDHBW-SQGPQFPESA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N[C@H](C)CCC)CC2	ZINC001107329279	904492651	/nfs/dbraw/zinc/49/26/51/904492651.db2.gz	OHFSGGHUQIEYCR-MBOZVWFJSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(F)nc3)CCC[C@@H]12	ZINC001107329282	904493206	/nfs/dbraw/zinc/49/32/06/904493206.db2.gz	OJAYAWRZDSQYTA-DNVCBOLYSA-N	1	0	360.433	1.497	20	30		FDEDRO
Cc1csc(=O)n1CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)C#N)CCC[C@@H]12	ZINC001107336107	904505524	/nfs/dbraw/zinc/50/55/24/904505524.db2.gz	HOJIAGKTVTUHQD-JCKWVBRZSA-N	1	0	362.499	1.739	20	30		FDEDRO
Cc1cc(C)c(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)o1	ZINC001107353495	904531400	/nfs/dbraw/zinc/53/14/00/904531400.db2.gz	ZIDPAHZHMPCLEM-DNVCBOLYSA-N	1	0	358.442	1.511	20	30		FDEDRO
CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C#N)[nH]3)CCC[C@@H]12	ZINC001107363615	904562635	/nfs/dbraw/zinc/56/26/35/904562635.db2.gz	JJZRPIOPBLMTOH-WIBUTAKZSA-N	1	0	371.485	1.775	20	30		FDEDRO
C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccc(F)cc1)CC2	ZINC001107366904	904574210	/nfs/dbraw/zinc/57/42/10/904574210.db2.gz	YIAILWULUNRNCX-WIYYLYMNSA-N	1	0	371.456	1.826	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3COC(=O)C3)CCC[C@@H]12	ZINC001107359170	904583054	/nfs/dbraw/zinc/58/30/54/904583054.db2.gz	FRGNDQJWQFFJBP-GPMSIDNRSA-N	1	0	350.459	1.503	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccnn3CC)CCC[C@@H]12	ZINC001107373850	904602773	/nfs/dbraw/zinc/60/27/73/904602773.db2.gz	CXPIDFDRHBYCKK-VQIMIIECSA-N	1	0	359.474	1.180	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3=CCCCCC3)CCC[C@@H]12	ZINC001107377624	904618049	/nfs/dbraw/zinc/61/80/49/904618049.db2.gz	WHRVJUCSTUPGQK-WIYYLYMNSA-N	1	0	357.498	1.987	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3nccc(C)n3)CCC[C@@H]12	ZINC001107384442	904659972	/nfs/dbraw/zinc/65/99/72/904659972.db2.gz	FNYVYGLFQDSACI-DNVCBOLYSA-N	1	0	357.458	1.062	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3CC(OCC)C3)CCC[C@@H]12	ZINC001107392493	904688935	/nfs/dbraw/zinc/68/89/35/904688935.db2.gz	DENDJFGUXACKPO-AEBIURJHSA-N	1	0	363.502	1.465	20	30		FDEDRO
C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccnc1OC)CC2	ZINC001107404871	904748447	/nfs/dbraw/zinc/74/84/47/904748447.db2.gz	SLZOSMYIALHQTF-WIYYLYMNSA-N	1	0	371.481	1.991	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](OCC)C(C)C)CCC[C@@H]12	ZINC001107401173	904775202	/nfs/dbraw/zinc/77/52/02/904775202.db2.gz	AIHADEJXLZBNSQ-YVWKXTFCSA-N	1	0	365.518	1.711	20	30		FDEDRO
C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(C)C1CC1)CC2	ZINC001107401375	904777172	/nfs/dbraw/zinc/77/71/72/904777172.db2.gz	KYJRRRWMRSJAFT-YLJYHZDGSA-N	1	0	361.486	1.008	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCOc2ccc(C)cc2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC001081540893	904800770	/nfs/dbraw/zinc/80/07/70/904800770.db2.gz	VWPFWGYAOIWNPN-RTBURBONSA-N	1	0	368.437	1.703	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)CCC[C@@H]12	ZINC001107412237	904809828	/nfs/dbraw/zinc/80/98/28/904809828.db2.gz	OYPPFVFRGUAGEA-ZPXGPAEQSA-N	1	0	369.509	1.699	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3C=CC=CC=C3)CCC[C@@H]12	ZINC001107424434	904830285	/nfs/dbraw/zinc/83/02/85/904830285.db2.gz	NVZORWHBXXXDTA-YLJYHZDGSA-N	1	0	354.454	1.285	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC(=O)N(CC)C3)CCC[C@@H]12	ZINC001107426060	904843707	/nfs/dbraw/zinc/84/37/07/904843707.db2.gz	ZZRISKXETOVVKW-SQGPQFPESA-N	1	0	363.502	1.418	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCCN3C(=O)CCC3=O)CCC[C@@H]12	ZINC001107426805	904853257	/nfs/dbraw/zinc/85/32/57/904853257.db2.gz	VVCKTHCMXPGBDA-OXQOHEQNSA-N	1	0	359.470	1.300	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=S)Nc2ccccc2C#N)CC1	ZINC000764501071	904876740	/nfs/dbraw/zinc/87/67/40/904876740.db2.gz	BGTTXKMBRBVGBU-INIZCTEOSA-N	1	0	357.483	1.493	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3onc(C)c3C)CCC[C@@H]12	ZINC001107445052	904949758	/nfs/dbraw/zinc/94/97/58/904949758.db2.gz	MIQVJEXBNVJYFY-DNVCBOLYSA-N	1	0	358.442	1.015	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)[C@H](OC)C1	ZINC001081720521	904954848	/nfs/dbraw/zinc/95/48/48/904954848.db2.gz	QXZDUYYBZUUBQA-BRWVUGGUSA-N	1	0	365.518	1.805	20	30		FDEDRO
Cc1n[nH]c(=O)c(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2C)c1C	ZINC001080242179	904988063	/nfs/dbraw/zinc/98/80/63/904988063.db2.gz	NAYTYILFCMKQQB-SJKOYZFVSA-N	1	0	365.437	1.921	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(CC)o3)CCC[C@@H]12	ZINC001107453504	904993432	/nfs/dbraw/zinc/99/34/32/904993432.db2.gz	ORUFXQYIOUAZBN-YLJYHZDGSA-N	1	0	357.454	1.566	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(C(N)=O)c3)CCC[C@@H]12	ZINC001107453555	904995622	/nfs/dbraw/zinc/99/56/22/904995622.db2.gz	QAHDTEAMPUVWGY-WIYYLYMNSA-N	1	0	369.465	1.410	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCn3c(C)csc3=O)C[C@H]2C)cc1	ZINC001080244953	904996964	/nfs/dbraw/zinc/99/69/64/904996964.db2.gz	SXJHCHYLTLAXSW-RDTXWAMCSA-N	1	0	369.490	1.950	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CC3CC(F)(F)C3)CCC[C@@H]12	ZINC001107457349	905020664	/nfs/dbraw/zinc/02/06/64/905020664.db2.gz	PEKKFDNDHAXWIK-RHSMWYFYSA-N	1	0	368.428	1.422	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)C34CCC[NH+]3CCC4)CCC[C@@H]12	ZINC001107461228	905063758	/nfs/dbraw/zinc/06/37/58/905063758.db2.gz	AMXJXEDVKVITDN-UYAOXDASSA-N	1	0	359.514	1.625	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc4ncnn43)CCC[C@@H]12	ZINC001107463781	905070178	/nfs/dbraw/zinc/07/01/78/905070178.db2.gz	DDZIETUZWIYLEW-YLJYHZDGSA-N	1	0	369.469	1.906	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3cc(C)nn3C)CCC[C@@H]12	ZINC001107470400	905092355	/nfs/dbraw/zinc/09/23/55/905092355.db2.gz	QUEWTTWFAVHSSE-UYAOXDASSA-N	1	0	358.486	1.282	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cc[nH]c3CCC)C2)C1=O	ZINC001080300103	905094907	/nfs/dbraw/zinc/09/49/07/905094907.db2.gz	JFISKISVSKFPQP-ZTFGCOKTSA-N	1	0	358.486	1.804	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](C[C@@H](OC)C2CCC2)C[C@H]1OC	ZINC001081801067	905101999	/nfs/dbraw/zinc/10/19/99/905101999.db2.gz	KLWSIIRWJFPYNZ-BHIYHBOVSA-N	1	0	361.486	1.918	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3ccnn3C)CCC[C@@H]12	ZINC001107481043	905133174	/nfs/dbraw/zinc/13/31/74/905133174.db2.gz	CSSQLKNVVAJNMV-VGUOSERISA-N	1	0	370.497	1.534	20	30		FDEDRO
C[C@H](CC(N)=O)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccc(C#N)c1)CC2	ZINC001107499399	905232897	/nfs/dbraw/zinc/23/28/97/905232897.db2.gz	HBUIEXWTFAVXKG-FQELHTAISA-N	1	0	368.481	1.931	20	30		FDEDRO
CC#CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nc(=O)n(C)[nH]1)CC2	ZINC001107513252	905278866	/nfs/dbraw/zinc/27/88/66/905278866.db2.gz	XHBXOWRJNZMIIQ-DNVCBOLYSA-N	1	0	359.474	1.163	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccn(CC)c3C)CCC[C@@H]12	ZINC001107513296	905279210	/nfs/dbraw/zinc/27/92/10/905279210.db2.gz	YJQQRRTXUDOOOI-WIYYLYMNSA-N	1	0	370.497	1.540	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3(C(F)F)CCC3)CCC[C@@H]12	ZINC001107517906	905326176	/nfs/dbraw/zinc/32/61/76/905326176.db2.gz	HRKSAVGVERREOV-RDTXWAMCSA-N	1	0	367.440	1.532	20	30		FDEDRO
CO[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2	ZINC001081893787	905335709	/nfs/dbraw/zinc/33/57/09/905335709.db2.gz	CVZRRWUBEQSKOQ-RTBURBONSA-N	1	0	368.481	1.502	20	30		FDEDRO
Cc1cccc(CC(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)c1	ZINC001107530510	905359043	/nfs/dbraw/zinc/35/90/43/905359043.db2.gz	WIBFVGACVVJFAV-WIYYLYMNSA-N	1	0	368.481	1.538	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3cccc(C)c3)CCC[C@@H]12	ZINC001107527923	905384769	/nfs/dbraw/zinc/38/47/69/905384769.db2.gz	BIZHWBRNNXWOFJ-DENIHFKCSA-N	1	0	367.493	1.648	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cccnc3OC)CCC[C@@H]12	ZINC001107530597	905439221	/nfs/dbraw/zinc/43/92/21/905439221.db2.gz	BLUQAFNNZMRFOA-YLJYHZDGSA-N	1	0	357.454	1.714	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3(CF)CCC3)CCC[C@@H]12	ZINC001107555858	905578408	/nfs/dbraw/zinc/57/84/08/905578408.db2.gz	XPYKWIVIOINRNS-DNVCBOLYSA-N	1	0	351.466	1.789	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCOC(C)C)CC3)nn1	ZINC001107570905	905647689	/nfs/dbraw/zinc/64/76/89/905647689.db2.gz	IMYPZNJHRQWTFP-IEBWSBKVSA-N	1	0	361.490	1.864	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)c3ccc(C)o3)CCC[C@@H]12	ZINC001107570868	905647852	/nfs/dbraw/zinc/64/78/52/905647852.db2.gz	GQNZXSHGBQGMGM-YRISNDGFSA-N	1	0	371.481	1.802	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@H]2C)nn1	ZINC001080589739	905758053	/nfs/dbraw/zinc/75/80/53/905758053.db2.gz	IZLDGBBBHIPXFO-NVXWUHKLSA-N	1	0	361.490	1.721	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)Cc3ccccc3)C[C@H]2OC)C1	ZINC001082110751	905910544	/nfs/dbraw/zinc/91/05/44/905910544.db2.gz	GJDFVYKLCMLRNG-IPMKNSEASA-N	1	0	358.482	1.762	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)CCOCCCOC)CCC[C@@H]12	ZINC001107603728	905941471	/nfs/dbraw/zinc/94/14/71/905941471.db2.gz	NBFGVVKBKAPHII-UYAOXDASSA-N	1	0	368.518	1.993	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccoc3CCC)CCC[C@@H]12	ZINC001107608307	905953289	/nfs/dbraw/zinc/95/32/89/905953289.db2.gz	LXFCLTNFQDUHID-WIYYLYMNSA-N	1	0	371.481	1.956	20	30		FDEDRO
CO[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1	ZINC001082137889	905954031	/nfs/dbraw/zinc/95/40/31/905954031.db2.gz	FXBLFRVWBGETLT-WOJBJXKFSA-N	1	0	369.509	1.585	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)c3c[nH]cn3)CCC[C@@H]12	ZINC001107608380	905954970	/nfs/dbraw/zinc/95/49/70/905954970.db2.gz	ONVBNJJWSKYVDI-YLJYHZDGSA-N	1	0	358.486	1.698	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](NC(C)=O)C(C)C)CCC[C@@H]12	ZINC001107613885	905988492	/nfs/dbraw/zinc/98/84/92/905988492.db2.gz	DNIPHRYWUKVNSE-QWFCFKBJSA-N	1	0	365.518	1.711	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3cccc(F)c3)CCC[C@@H]12	ZINC001107625753	906040711	/nfs/dbraw/zinc/04/07/11/906040711.db2.gz	MDTWETKFERXCAQ-WIYYLYMNSA-N	1	0	371.456	1.478	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CC[C@H]3NC(=O)NC3=O)CCC[C@@H]12	ZINC001107628026	906097609	/nfs/dbraw/zinc/09/76/09/906097609.db2.gz	LDAPTCFYRJTBBR-SPYBWZPUSA-N	1	0	362.474	1.302	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C(N)=O)cc3)CCC[C@@H]12	ZINC001107629942	906118215	/nfs/dbraw/zinc/11/82/15/906118215.db2.gz	PMRAYTGOBIEFBN-WIYYLYMNSA-N	1	0	371.481	1.963	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CCCOC3)CCC[C@@H]12	ZINC001107635178	906125530	/nfs/dbraw/zinc/12/55/30/906125530.db2.gz	ILTIBCNLRVJBNN-MBOZVWFJSA-N	1	0	363.502	1.466	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3COCCN3C(C)=O)CCC[C@@H]12	ZINC001107637280	906143445	/nfs/dbraw/zinc/14/34/45/906143445.db2.gz	FHCIPOZYAGTFDQ-NLWGTHIKSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C	ZINC001082193765	906148202	/nfs/dbraw/zinc/14/82/02/906148202.db2.gz	RNOJMUSUZDHTES-KSZLIROESA-N	1	0	365.518	1.807	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)Cn3c(C)c(C)sc3=O)CCC[C@@H]12	ZINC001107645051	906169491	/nfs/dbraw/zinc/16/94/91/906169491.db2.gz	MKCOULOGZSXBLF-VQIMIIECSA-N	1	0	361.511	1.911	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)CS(C)(=O)=O)CCC[C@@H]12	ZINC001107651221	906230206	/nfs/dbraw/zinc/23/02/06/906230206.db2.gz	VDRDYIBSXDQXIW-CRAIPNDOSA-N	1	0	356.532	1.994	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCC3(F)F)C[C@H]2O)c1	ZINC001077650153	906238234	/nfs/dbraw/zinc/23/82/34/906238234.db2.gz	VMQCRDBIPOBXOL-GVDBMIGSSA-N	1	0	363.408	1.663	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)CCC[C@@H]12	ZINC001107648118	906276376	/nfs/dbraw/zinc/27/63/76/906276376.db2.gz	AWCNBINFRPQQQC-ZKXKZDSHSA-N	1	0	371.525	1.942	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCOCCOC)CCC[C@@H]12	ZINC001107648921	906280816	/nfs/dbraw/zinc/28/08/16/906280816.db2.gz	ADUQIPQJQVOGAH-IEBWSBKVSA-N	1	0	352.475	1.050	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)CCCCCS(N)(=O)=O)CCC[C@@H]12	ZINC001107663247	906292932	/nfs/dbraw/zinc/29/29/32/906292932.db2.gz	VPGOUMMGMBMCKN-NVXWUHKLSA-N	1	0	357.520	1.382	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cnn3cc(OC)ccc23)[C@H](OC)C1	ZINC001082244868	906396951	/nfs/dbraw/zinc/39/69/51/906396951.db2.gz	LQXMUNZETATLIS-SJLPKXTDSA-N	1	0	358.442	1.738	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cnnc3)cc2)[C@H](OC)C1	ZINC001082231529	906438189	/nfs/dbraw/zinc/43/81/89/906438189.db2.gz	UDIBGWLMOBHPKD-QZTJIDSGSA-N	1	0	355.442	1.663	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[C@H]1CCCCC(=O)N1	ZINC001080849221	906438319	/nfs/dbraw/zinc/43/83/19/906438319.db2.gz	OURALWXNPUBLDY-ATZDWAIDSA-N	1	0	368.481	1.944	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCC3CCOCC3)C[C@H]2OC)cn1	ZINC001082333674	906828266	/nfs/dbraw/zinc/82/82/66/906828266.db2.gz	TWFQFYRDVSAWGT-WOJBJXKFSA-N	1	0	371.481	1.699	20	30		FDEDRO
C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1	ZINC000996992486	906831759	/nfs/dbraw/zinc/83/17/59/906831759.db2.gz	UQEGNDWEAFURNU-CVEARBPZSA-N	1	0	369.893	1.490	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2nnc(C)n2CCC)CC1	ZINC000997011066	906923123	/nfs/dbraw/zinc/92/31/23/906923123.db2.gz	HAJOGAFPRIORNK-SJORKVTESA-N	1	0	361.490	1.668	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](CC2CC(OCC)C2)C[C@H]1OC	ZINC001082345300	906935645	/nfs/dbraw/zinc/93/56/45/906935645.db2.gz	DITZECDKJQYYOG-PUPGKCOFSA-N	1	0	370.493	1.841	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1OC	ZINC001082345595	906937987	/nfs/dbraw/zinc/93/79/87/906937987.db2.gz	RZUMEMJYRHUEQX-WOJBJXKFSA-N	1	0	366.465	1.002	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)N2CCCC2)C1	ZINC001081096793	907152517	/nfs/dbraw/zinc/15/25/17/907152517.db2.gz	LFZKUKADNBTDEN-BPQIPLTHSA-N	1	0	354.454	1.353	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)CC)C2)C[C@H]1c1ccccc1	ZINC001081120988	907178151	/nfs/dbraw/zinc/17/81/51/907178151.db2.gz	NYHRALKBYZRDIH-SLFFLAALSA-N	1	0	367.493	1.852	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCN2CCNC2=O)C1	ZINC001081114451	907212632	/nfs/dbraw/zinc/21/26/32/907212632.db2.gz	ANKBSEQWZVONBB-RBUKOAKNSA-N	1	0	366.465	1.009	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H](C)C(N)=O)C1	ZINC001081125512	907226490	/nfs/dbraw/zinc/22/64/90/907226490.db2.gz	DIINTKFDKRBWFV-BPQIPLTHSA-N	1	0	366.465	1.746	20	30		FDEDRO
C[NH+](C)CC(C)(C)CNC(=S)N1CCN(c2ncccc2C#N)CC1	ZINC000727073889	907252253	/nfs/dbraw/zinc/25/22/53/907252253.db2.gz	TWMZYABQEVYJHT-UHFFFAOYSA-N	1	0	360.531	1.538	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([NH2+][C@@H]2CCCN(C)C2=O)CC1	ZINC000997085939	907262559	/nfs/dbraw/zinc/26/25/59/907262559.db2.gz	SDNWIALZPLCCGG-KSZLIROESA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCCS2(=O)=O)C[C@H]1c1ccccc1	ZINC001081151243	907264854	/nfs/dbraw/zinc/26/48/54/907264854.db2.gz	CRRFXBHEWWWQDV-FGTMMUONSA-N	1	0	360.479	1.171	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3nnn(C)c3C2)C[C@H]1c1ccccc1	ZINC001081168288	907290413	/nfs/dbraw/zinc/29/04/13/907290413.db2.gz	QEVWJXMGOMFLQK-ZIFCJYIRSA-N	1	0	363.465	1.137	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)N2CCCC2=O)C[C@H]1c1ccccc1	ZINC001081213940	907322751	/nfs/dbraw/zinc/32/27/51/907322751.db2.gz	WRKNFXGFHGPSGU-YTQUADARSA-N	1	0	353.466	1.605	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3cnccc3C)C[C@H]2OC)CC1	ZINC001082384203	907389071	/nfs/dbraw/zinc/38/90/71/907389071.db2.gz	ISGNHJBCONEGEE-WOJBJXKFSA-N	1	0	370.497	1.051	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C	ZINC001077756604	907563889	/nfs/dbraw/zinc/56/38/89/907563889.db2.gz	QOMOZHASFAUTFO-NXOAAHMSSA-N	1	0	351.491	1.463	20	30		FDEDRO
C[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082418757	907583263	/nfs/dbraw/zinc/58/32/63/907583263.db2.gz	VCVVICUADCHFRR-CXAGYDPISA-N	1	0	358.417	1.256	20	30		FDEDRO
CC(C)(C)NS(=O)(=O)c1ccc(N=NC2CC[N@@H+]3CCC[C@@H]23)nc1	ZINC000765571539	907646571	/nfs/dbraw/zinc/64/65/71/907646571.db2.gz	DWQQTFIQXQXJIG-AWEZNQCLSA-N	1	0	351.476	1.794	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@@H](C)C1CC1	ZINC001081499494	907693050	/nfs/dbraw/zinc/69/30/50/907693050.db2.gz	CRILEVMBSKNSRR-GDIGMMSISA-N	1	0	357.454	1.950	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082446535	907803251	/nfs/dbraw/zinc/80/32/51/907803251.db2.gz	ZLVFWLQRHYDHIZ-FZKQIMNGSA-N	1	0	355.417	1.610	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1C	ZINC001082456543	907856698	/nfs/dbraw/zinc/85/66/98/907856698.db2.gz	LQKWVVPPBFAAHB-CXAGYDPISA-N	1	0	353.426	1.469	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1C	ZINC001082503837	908107952	/nfs/dbraw/zinc/10/79/52/908107952.db2.gz	QZPLCDWPUADFRC-RHSMWYFYSA-N	1	0	357.454	1.808	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)CC3(O)CCC3)C[C@H]2C)cc1C#N	ZINC001082503801	908108512	/nfs/dbraw/zinc/10/85/12/908108512.db2.gz	OYRRDBCGRMZVNE-RHSMWYFYSA-N	1	0	357.454	1.808	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+][C@H]1CCN(c2ccccc2)C1=O	ZINC001082504842	908118105	/nfs/dbraw/zinc/11/81/05/908118105.db2.gz	MDGQRCGHSKBOJV-AYOQOUSVSA-N	1	0	351.450	1.642	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)Cc2nnc(C)[nH]2)C[C@H]1C	ZINC001082505348	908119965	/nfs/dbraw/zinc/11/99/65/908119965.db2.gz	ZJDYLVMCTFRYOO-MLGOLLRUSA-N	1	0	368.441	1.173	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1	ZINC001082533612	908299311	/nfs/dbraw/zinc/29/93/11/908299311.db2.gz	OHXDUBVWGUJUNE-KWCYVHTRSA-N	1	0	351.882	1.981	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2ccc[nH]2)CC1	ZINC000997356308	908310813	/nfs/dbraw/zinc/31/08/13/908310813.db2.gz	CDJOPLLKCXTBIH-QYZOEREBSA-N	1	0	368.481	1.151	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(F)c[nH]2)CC1	ZINC000997357328	908324530	/nfs/dbraw/zinc/32/45/30/908324530.db2.gz	KBRYKILSFPBYKB-RYRKJORJSA-N	1	0	372.444	1.361	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2c[nH]cn2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082549688	908489222	/nfs/dbraw/zinc/48/92/22/908489222.db2.gz	UDGNQIGAMHJEHH-FZKQIMNGSA-N	1	0	355.417	1.990	20	30		FDEDRO
CCn1nnc(C)c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1	ZINC001082555622	908556238	/nfs/dbraw/zinc/55/62/38/908556238.db2.gz	YUCAYBHAFXBTLC-SJKOYZFVSA-N	1	0	370.432	1.868	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccc(F)c(F)c3)C[C@H]2C)C1=O	ZINC001082561319	908626931	/nfs/dbraw/zinc/62/69/31/908626931.db2.gz	HSWOVUYRBVYSMD-CSMYWGQOSA-N	1	0	363.408	1.802	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C)nc2C)C1	ZINC001082568047	908707138	/nfs/dbraw/zinc/70/71/38/908707138.db2.gz	USMXWJCBFHSNKU-YSGRDPCXSA-N	1	0	354.498	1.733	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082590296	908848315	/nfs/dbraw/zinc/84/83/15/908848315.db2.gz	NVFTVAFYMWKFCA-OHDICMOHSA-N	1	0	356.470	1.214	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082599590	908957763	/nfs/dbraw/zinc/95/77/63/908957763.db2.gz	AQWRISSUELVKDP-FZKQIMNGSA-N	1	0	368.412	1.646	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCn3cncc3C2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082601065	908966232	/nfs/dbraw/zinc/96/62/32/908966232.db2.gz	KQDUEWKVQYROAG-XFQXTVEOSA-N	1	0	363.465	1.954	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082615096	909053328	/nfs/dbraw/zinc/05/33/28/909053328.db2.gz	FGPNUEKNUDKKGK-FZKQIMNGSA-N	1	0	368.412	1.646	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2CC)C[C@H]1C	ZINC001082615379	909057426	/nfs/dbraw/zinc/05/74/26/909057426.db2.gz	ADGCTWWSDVZTBW-ZWNOBZJWSA-N	1	0	355.280	1.941	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1OC)OCC	ZINC001212354731	909068925	/nfs/dbraw/zinc/06/89/25/909068925.db2.gz	IFDDOIZRDVIHQB-KZNAEPCWSA-N	1	0	354.491	1.742	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C(N)=O)cn2C)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082621495	909131584	/nfs/dbraw/zinc/13/15/84/909131584.db2.gz	VHODNTQDNIQHKK-CXAGYDPISA-N	1	0	365.437	1.246	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCCC(=O)N2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082632495	909187125	/nfs/dbraw/zinc/18/71/25/909187125.db2.gz	YPUYYSJALWCGOR-FHLIZLRMSA-N	1	0	354.454	1.554	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)ccc2=O)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082635617	909228418	/nfs/dbraw/zinc/22/84/18/909228418.db2.gz	NPWACOCFMABNTP-RDTXWAMCSA-N	1	0	350.422	1.507	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cn(-c3cccnc3)nn2)[C@H](OC)C1	ZINC001212377260	909480764	/nfs/dbraw/zinc/48/07/64/909480764.db2.gz	BRXJDXRVCSFYQO-YXJHDRRASA-N	1	0	370.457	1.446	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2cnc(C)nc2OC)[C@H](OC)C1	ZINC001212377352	909497979	/nfs/dbraw/zinc/49/79/79/909497979.db2.gz	HLAIZTDKYUUPDQ-IAGOWNOFSA-N	1	0	362.474	1.969	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2ccnc2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082673593	909515932	/nfs/dbraw/zinc/51/59/32/909515932.db2.gz	ZONUXQOVWJEXKZ-RDTXWAMCSA-N	1	0	355.417	1.921	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082684552	909566944	/nfs/dbraw/zinc/56/69/44/909566944.db2.gz	FZVVDQKQLALHAF-CZUORRHYSA-N	1	0	369.425	1.278	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082688493	909577463	/nfs/dbraw/zinc/57/74/63/909577463.db2.gz	BVLKTCCNNPVQSH-JLZZUVOBSA-N	1	0	358.417	1.255	20	30		FDEDRO
Cc1cnn(C)c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1	ZINC001082692976	909633780	/nfs/dbraw/zinc/63/37/80/909633780.db2.gz	ANOFOHBALVNOBD-CXAGYDPISA-N	1	0	355.417	1.990	20	30		FDEDRO
N#Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)ccc1F	ZINC000997767498	909655434	/nfs/dbraw/zinc/65/54/34/909655434.db2.gz	GEMWPWLBSXIJOZ-NVXWUHKLSA-N	1	0	360.389	1.691	20	30		FDEDRO
Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1	ZINC001082697907	909658398	/nfs/dbraw/zinc/65/83/98/909658398.db2.gz	DUSSCEIOMHTCNM-BDJLRTHQSA-N	1	0	369.400	1.752	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082700419	909678186	/nfs/dbraw/zinc/67/81/86/909678186.db2.gz	UOYWTNJTKGNLGQ-CSMYWGQOSA-N	1	0	358.417	1.255	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@H]1C	ZINC001082703947	909703158	/nfs/dbraw/zinc/70/31/58/909703158.db2.gz	PHPGZDNOQIYGPB-VVFCZOMOSA-N	1	0	361.417	1.632	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1C	ZINC001082725105	909842252	/nfs/dbraw/zinc/84/22/52/909842252.db2.gz	KYFROBAMKLPBKF-AUJRIZCKSA-N	1	0	370.453	1.172	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3snnc3C)C2)nn1	ZINC001082796575	910184275	/nfs/dbraw/zinc/18/42/75/910184275.db2.gz	BMFBTEJJYJVCHX-DGCLKSJQSA-N	1	0	361.475	1.264	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc3n(n2)CCC3)C1	ZINC001082799367	910218313	/nfs/dbraw/zinc/21/83/13/910218313.db2.gz	LGGHJLWSBYBSBF-FDPIWHGQSA-N	1	0	358.486	1.747	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cccc4nc[nH]c43)C[C@H]2C)C1=O	ZINC001082819317	910306981	/nfs/dbraw/zinc/30/69/81/910306981.db2.gz	MWBQWPUXHLJJDN-KBRIMQKVSA-N	1	0	367.453	1.400	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCOC2)C[C@H]1C	ZINC001082824952	910331550	/nfs/dbraw/zinc/33/15/50/910331550.db2.gz	PIHLGLYZLQYTSM-ZTQAJYAQSA-N	1	0	357.454	1.930	20	30		FDEDRO
CCN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CCC[N@H+](Cc2ccccc2C#N)CC1	ZINC000998128781	910422945	/nfs/dbraw/zinc/42/29/45/910422945.db2.gz	ZNDWUOHPUFAUMC-QRVBRYPASA-N	1	0	368.481	1.883	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cnn(C)n2)CC1	ZINC000998139831	910450231	/nfs/dbraw/zinc/45/02/31/910450231.db2.gz	SETOBYKUGJPEDJ-ROUUACIJSA-N	1	0	361.490	1.515	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[NH2+][C@@H]2CCN(CC)C2=O)CC1	ZINC000998148069	910468258	/nfs/dbraw/zinc/46/82/58/910468258.db2.gz	KVPZDPMKBNMVSZ-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
CCn1cc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)cn1	ZINC001082853585	910473923	/nfs/dbraw/zinc/47/39/23/910473923.db2.gz	JABNGMBRPMRGPZ-DNVCBOLYSA-N	1	0	351.454	1.954	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082861197	910489119	/nfs/dbraw/zinc/48/91/19/910489119.db2.gz	NSPZHBFCVOQXHL-FZKQIMNGSA-N	1	0	355.417	1.610	20	30		FDEDRO
COc1cc[nH]c(=O)c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001082865171	910541518	/nfs/dbraw/zinc/54/15/18/910541518.db2.gz	AJSKYNBKHJRNJH-CZUORRHYSA-N	1	0	366.421	1.918	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1	ZINC001082885076	910665134	/nfs/dbraw/zinc/66/51/34/910665134.db2.gz	CKRTZDMGJAGSDB-OXQOHEQNSA-N	1	0	363.461	1.546	20	30		FDEDRO
CC(=O)N1CC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)s3)C2)C1	ZINC001082888607	910693484	/nfs/dbraw/zinc/69/34/84/910693484.db2.gz	UZJLVQZMVOEECU-SUYBPPKGSA-N	1	0	360.483	1.425	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccc(C4CC4)cn3)C[C@H]2C)C1=O	ZINC001082893650	910746476	/nfs/dbraw/zinc/74/64/76/910746476.db2.gz	PZPBICADDHLXGX-MDASCCDHSA-N	1	0	368.481	1.796	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082911549	910854849	/nfs/dbraw/zinc/85/48/49/910854849.db2.gz	HHQCNRBCVISZTE-RDTXWAMCSA-N	1	0	368.412	1.496	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)no1	ZINC001082917877	910908603	/nfs/dbraw/zinc/90/86/03/910908603.db2.gz	GZNONRFTJXDLLU-MLGOLLRUSA-N	1	0	367.409	1.430	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cccn3C(C)C)C[C@H]2C)C1=O	ZINC001082924104	910938579	/nfs/dbraw/zinc/93/85/79/910938579.db2.gz	QZZRQHOGMUSSLF-BRWVUGGUSA-N	1	0	358.486	1.906	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCc2ccccc2)C[C@H]1O	ZINC001077823116	911266852	/nfs/dbraw/zinc/26/68/52/911266852.db2.gz	WCXBWLXAYMERNN-NMLBUPMWSA-N	1	0	358.482	1.762	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nnc(CC)n2C)C1	ZINC000998789305	911680011	/nfs/dbraw/zinc/68/00/11/911680011.db2.gz	XQNYSCHKVLHOLK-FJBKBRRZSA-N	1	0	361.490	1.438	20	30		FDEDRO
CCOC1CC(C[N@@H+]2C[C@H]3OCCN(C(=O)c4cc(C#N)c[nH]4)[C@H]3C2)C1	ZINC001083040567	911761716	/nfs/dbraw/zinc/76/17/16/911761716.db2.gz	SXWHYKMWYJESOK-NWCILSHNSA-N	1	0	358.442	1.227	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2COCCO2)c(F)c1	ZINC001085139531	921689293	/nfs/dbraw/zinc/68/92/93/921689293.db2.gz	RQVXHOJQHNRIIF-KZNAEPCWSA-N	1	0	361.417	1.630	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@H+]2CCC[C@@H]2C)nc1	ZINC000998953112	911922440	/nfs/dbraw/zinc/92/24/40/911922440.db2.gz	BHUTUOMTSMTKTE-FXECBMLZSA-N	1	0	366.465	1.409	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnc4ccc(OC)nn43)[C@H]2C1	ZINC001083123989	911926758	/nfs/dbraw/zinc/92/67/58/911926758.db2.gz	CMPRTJKPPBMSNN-JKSUJKDBSA-N	1	0	371.441	1.229	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc([C@@H]4CCCN4C)[nH]n3)[C@H]2C1	ZINC001083088976	911964299	/nfs/dbraw/zinc/96/42/99/911964299.db2.gz	LIBFHXCOHNSJIT-OKZBNKHCSA-N	1	0	359.474	1.278	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CCO[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@@H]21	ZINC001083106327	912049768	/nfs/dbraw/zinc/04/97/68/912049768.db2.gz	VYUWAZSESZBZTA-YTQUADARSA-N	1	0	359.470	1.626	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)C(=O)Nc3ccc(OC)cc3)[C@H]2C1	ZINC001083134333	912081643	/nfs/dbraw/zinc/08/16/43/912081643.db2.gz	UHFAQLWWDGYDGL-DLBZAZTESA-N	1	0	359.426	1.121	20	30		FDEDRO
CN(C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C1CC([NH2+]Cc2ccc(C#N)cc2)C1	ZINC000999160449	912139990	/nfs/dbraw/zinc/13/99/90/912139990.db2.gz	KITFIMRHSYDDCR-AABGDIPYSA-N	1	0	369.465	1.689	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(OCC(N)=O)cc3)[C@@H]2C1	ZINC001084500525	915028062	/nfs/dbraw/zinc/02/80/62/915028062.db2.gz	QVKACILFIBRXEN-SJLPKXTDSA-N	1	0	357.454	1.663	20	30		FDEDRO
C[C@@]1(C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)CNC(=O)C1	ZINC001084541557	915268706	/nfs/dbraw/zinc/26/87/06/915268706.db2.gz	TTWBQDUCMFEXMW-HLIPFELVSA-N	1	0	352.438	1.117	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](CCCN4CCCC4=O)C[C@H]32)cc1	ZINC001084569383	915410307	/nfs/dbraw/zinc/41/03/07/915410307.db2.gz	XFPGGIQRQZESLY-WOJBJXKFSA-N	1	0	365.477	1.827	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)C4)[C@@H]3C2)cc1	ZINC001084665523	915966710	/nfs/dbraw/zinc/96/67/10/915966710.db2.gz	DCANERDNXUJUNQ-FCGDIQPGSA-N	1	0	366.465	1.493	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@H](O)COc2cccc(F)c2)CC1	ZINC000730124753	916178385	/nfs/dbraw/zinc/17/83/85/916178385.db2.gz	FAUXSJXMBLYDNI-INIZCTEOSA-N	1	0	351.422	1.515	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(OC)cc4)C[C@H]32)nn1	ZINC001084709344	916400169	/nfs/dbraw/zinc/40/01/69/916400169.db2.gz	XBKJBLUPDQZDMM-VQIMIIECSA-N	1	0	367.453	1.819	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCn3nc(C)nc3C)C[C@H]21	ZINC001084715458	916500146	/nfs/dbraw/zinc/50/01/46/916500146.db2.gz	GYJFYEWPBZMIJN-HCXYKTFWSA-N	1	0	373.501	1.409	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCCS(=O)(=O)C3)[C@@H]2C1	ZINC001084761560	916898316	/nfs/dbraw/zinc/89/83/16/916898316.db2.gz	MWOKVDDAZCDYET-BRWVUGGUSA-N	1	0	354.516	1.700	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN([C@@H](C)c4nnc(C)[nH]4)C[C@H]32)CC1	ZINC001084850984	917656948	/nfs/dbraw/zinc/65/69/48/917656948.db2.gz	HLBRXHGOOVMVKQ-BMGDILEWSA-N	1	0	370.501	1.052	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4noc(CC)n4)C[C@H]32)CC1	ZINC001084851309	917661098	/nfs/dbraw/zinc/66/10/98/917661098.db2.gz	WXFGHMWYMYGLRJ-IAGOWNOFSA-N	1	0	371.485	1.010	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4cscn4)C[C@H]32)CC1	ZINC001084850316	917695271	/nfs/dbraw/zinc/69/52/71/917695271.db2.gz	VYVUKZTVFMLVGZ-SJLPKXTDSA-N	1	0	358.511	1.521	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)C4CCOCC4)C[C@@H]32)C1=O	ZINC001084878697	917948648	/nfs/dbraw/zinc/94/86/48/917948648.db2.gz	HHVDDGKQTLBYME-JQHSSLGASA-N	1	0	361.486	1.123	20	30		FDEDRO
NC(=O)CC(=O)N1CC[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)[C@H]2C1	ZINC001084909267	918197040	/nfs/dbraw/zinc/19/70/40/918197040.db2.gz	YPNSFPBZSQNTKF-WBVHZDCISA-N	1	0	359.857	1.490	20	30		FDEDRO
CN1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)[C@H]3C2)C1	ZINC001084910972	918246722	/nfs/dbraw/zinc/24/67/22/918246722.db2.gz	JYFMJEAMKJUHMJ-HSALFYBXSA-N	1	0	368.481	1.312	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)C1=O	ZINC001084915163	918282203	/nfs/dbraw/zinc/28/22/03/918282203.db2.gz	HOBUVDBINJTDMW-JQHSSLGASA-N	1	0	367.453	1.210	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CCNC(=O)C4)C[C@@H]32)c1	ZINC001084919697	918317902	/nfs/dbraw/zinc/31/79/02/918317902.db2.gz	IBFLMFPNBKDHCF-QYZOEREBSA-N	1	0	366.465	1.507	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)C[C@@H]4COC(=O)C4)C[C@@H]32)cc1	ZINC001084920406	918325766	/nfs/dbraw/zinc/32/57/66/918325766.db2.gz	BYQMGJOIENTDEE-OTWHNJEPSA-N	1	0	367.449	1.934	20	30		FDEDRO
C[C@@H](C(=O)N1CC[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@H]2C1)n1cncn1	ZINC001084924827	918351026	/nfs/dbraw/zinc/35/10/26/918351026.db2.gz	UQASKTVSFJWKCV-IPELMVKDSA-N	1	0	364.453	1.834	20	30		FDEDRO
C[C@@H](C(=O)N1CC[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@H]2C1)n1cncn1	ZINC001084924953	918352088	/nfs/dbraw/zinc/35/20/88/918352088.db2.gz	CJXDHJWRRDHSGB-IPELMVKDSA-N	1	0	364.453	1.834	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]32)C1=O	ZINC001084925570	918359574	/nfs/dbraw/zinc/35/95/74/918359574.db2.gz	HZTBUEZJZGORNK-WBAXXEDZSA-N	1	0	367.453	1.210	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4[nH]ccc4C)C[C@@H]32)C1=O	ZINC001084932447	918484411	/nfs/dbraw/zinc/48/44/11/918484411.db2.gz	XXHMQLNVIQMKIJ-BBWFWOEESA-N	1	0	356.470	1.646	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc4c3NC(=O)CO4)C[C@@H]21	ZINC001084960038	918829373	/nfs/dbraw/zinc/82/93/73/918829373.db2.gz	RDBUGBBIJDPJJD-ZBFHGGJFSA-N	1	0	353.422	1.577	20	30		FDEDRO
Cc1ccc(Cl)c2c1NC(=O)C2=NNC(=S)NCCC[NH+](C)C	ZINC000731928208	918845079	/nfs/dbraw/zinc/84/50/79/918845079.db2.gz	FUNBUPBWCVNPEI-UHFFFAOYSA-N	1	0	353.879	1.720	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[C@@H]3N3CCCC3=O)C[C@@H]21	ZINC001084961792	918868309	/nfs/dbraw/zinc/86/83/09/918868309.db2.gz	ZIWBPQOGBBQWNE-YRXWBPOGSA-N	1	0	357.498	1.724	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cn4c(n3)C[C@H](OC)CC4)C[C@@H]21	ZINC001084969239	918956763	/nfs/dbraw/zinc/95/67/63/918956763.db2.gz	BDEPFCVFYSGRRS-NUJGCVRESA-N	1	0	356.470	1.404	20	30		FDEDRO
C=C(Cl)CN1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@@H]21	ZINC001084993249	919367675	/nfs/dbraw/zinc/36/76/75/919367675.db2.gz	UZDFRJLWIAYWEG-XFHVWQCUSA-N	1	0	365.905	1.525	20	30		FDEDRO
CC(C)(C)[N@@H+]1CCCN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CC1	ZINC000732466535	919652095	/nfs/dbraw/zinc/65/20/95/919652095.db2.gz	OOSNXFTYYRCHMU-NXVVXOECSA-N	1	0	363.462	1.029	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(CCC(N)=O)cc3)C[C@@H]21	ZINC001085028067	919817666	/nfs/dbraw/zinc/81/76/66/919817666.db2.gz	KHRYQGDXLMLQSM-MJGOQNOKSA-N	1	0	353.466	1.664	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@H]32)s1	ZINC001085034949	919916576	/nfs/dbraw/zinc/91/65/76/919916576.db2.gz	XYVAIXCEPKPONY-FWYOQMDTSA-N	1	0	358.467	1.164	20	30		FDEDRO
N#C[C@H]1CN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CCN1C1CC1	ZINC000732673633	919959174	/nfs/dbraw/zinc/95/91/74/919959174.db2.gz	BDHHGFFAVRILNM-IBGZPJMESA-N	1	0	368.485	1.428	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CCN1C1CC1	ZINC000732673634	919959221	/nfs/dbraw/zinc/95/92/21/919959221.db2.gz	BDHHGFFAVRILNM-LJQANCHMSA-N	1	0	368.485	1.428	20	30		FDEDRO
O=C(CCc1cn[nH]n1)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001085037336	919960792	/nfs/dbraw/zinc/96/07/92/919960792.db2.gz	ZRHOLBCXJGYRKX-QUCCMNQESA-N	1	0	363.465	1.712	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CCN1C1CC1	ZINC000732704500	919996260	/nfs/dbraw/zinc/99/62/60/919996260.db2.gz	WVWWMMONJZREQB-QGZVFWFLSA-N	1	0	361.490	1.013	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)c4ccccc43)C[C@@H]21	ZINC001085060354	920250108	/nfs/dbraw/zinc/25/01/08/920250108.db2.gz	VOOQJDVEKFMJRP-MNEFBYGVSA-N	1	0	351.450	1.807	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)CCn4cccc4)C[C@@H]32)C1=O	ZINC001085062535	920308911	/nfs/dbraw/zinc/30/89/11/920308911.db2.gz	CJDOXIORGZJNNC-OTWHNJEPSA-N	1	0	370.497	1.588	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCCS(=O)(=O)C3)C[C@@H]21	ZINC001085069620	920437905	/nfs/dbraw/zinc/43/79/05/920437905.db2.gz	XPHAWUABNLGHEH-BBWFWOEESA-N	1	0	354.516	1.700	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3ccc(C(F)(F)F)n3)C[C@@H]21	ZINC001085089384	920773039	/nfs/dbraw/zinc/77/30/39/920773039.db2.gz	ZCLKCHSIHABLGK-KGLIPLIRSA-N	1	0	354.376	1.848	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3-n3cnnn3)C[C@@H]21	ZINC001085091019	920778290	/nfs/dbraw/zinc/77/82/90/920778290.db2.gz	XYTFLBGRBOJBNK-QAPCUYQASA-N	1	0	352.442	1.775	20	30		FDEDRO
C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CC[NH+](C3CCC3)CC2)C1=O	ZINC000733295656	920962622	/nfs/dbraw/zinc/96/26/22/920962622.db2.gz	CJZBNZOHANELEB-FQEVSTJZSA-N	1	0	367.453	1.453	20	30		FDEDRO
C#CCOc1ccc(C[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)cc1	ZINC000733325390	920981171	/nfs/dbraw/zinc/98/11/71/920981171.db2.gz	LFJVRUQKTBCEAO-MRXNPFEDSA-N	1	0	355.390	1.957	20	30		FDEDRO
CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cn(C)c(=O)n(C)c2=O)ccc1OC	ZINC000733330464	920985501	/nfs/dbraw/zinc/98/55/01/920985501.db2.gz	XNAXLJMHFZJIJC-OAHLLOKOSA-N	1	0	372.425	1.063	20	30		FDEDRO
COc1cc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)cc2c1OCCO2	ZINC000733334667	920989814	/nfs/dbraw/zinc/98/98/14/920989814.db2.gz	OVKYLULZMPTDQN-VLGSPTGOSA-N	1	0	359.382	1.082	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2cc(C)on2)C1=O	ZINC001085154218	921840854	/nfs/dbraw/zinc/84/08/54/921840854.db2.gz	IRDURRXCVPCBOL-ZACQAIPSSA-N	1	0	360.458	1.329	20	30		FDEDRO
CN1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)C1	ZINC001085158989	921876435	/nfs/dbraw/zinc/87/64/35/921876435.db2.gz	DJHBSRLHOPGQRA-GUDVDZBRSA-N	1	0	356.470	1.406	20	30		FDEDRO
CCc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C#N)c[nH]2)n1C	ZINC001085164204	921912711	/nfs/dbraw/zinc/91/27/11/921912711.db2.gz	VBAMLPTYFXDUNG-ZIAGYGMSSA-N	1	0	355.446	1.408	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C)ncn2)C1=O	ZINC001085171793	921982577	/nfs/dbraw/zinc/98/25/77/921982577.db2.gz	CXHMJVJQEQYRBC-OAGGEKHMSA-N	1	0	357.458	1.203	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN2CN=NC2=O)s1	ZINC001085176479	922005870	/nfs/dbraw/zinc/00/58/70/922005870.db2.gz	IJDRXFFNRFHVBL-ZIAGYGMSSA-N	1	0	360.443	1.134	20	30		FDEDRO
Cn1oc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)cc1=O	ZINC001085183049	922051597	/nfs/dbraw/zinc/05/15/97/922051597.db2.gz	HNRCEPXZBCXKAS-HZPDHXFCSA-N	1	0	354.410	1.681	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C)sn2)C1=O	ZINC001085183430	922056164	/nfs/dbraw/zinc/05/61/64/922056164.db2.gz	AJHVJNQYUSXAHB-RBSFLKMASA-N	1	0	362.499	1.869	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@](C)(CNc3cncc(C#N)n3)C2)CC[N@@H+]1C	ZINC001065504150	922336208	/nfs/dbraw/zinc/33/62/08/922336208.db2.gz	OIVNDASJOXOXQZ-FCEWJHQRSA-N	1	0	356.474	1.729	20	30		FDEDRO
C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)c1=O	ZINC000733992286	922769948	/nfs/dbraw/zinc/76/99/48/922769948.db2.gz	OPHOLVBIBJJLHT-FQEVSTJZSA-N	1	0	372.469	1.324	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCN(C)C1=O	ZINC001085225458	922915880	/nfs/dbraw/zinc/91/58/80/922915880.db2.gz	XAQVXVKVHNVGJI-BRWVUGGUSA-N	1	0	358.486	1.926	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(CC)C1=O	ZINC001085225913	922942552	/nfs/dbraw/zinc/94/25/52/922942552.db2.gz	UXQMKMRIBWMHEA-BRWVUGGUSA-N	1	0	358.486	1.926	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1cnn(CC)c1	ZINC001085229956	922983707	/nfs/dbraw/zinc/98/37/07/922983707.db2.gz	SMWUFKLPAAZGIA-AQNXPRMDSA-N	1	0	371.529	1.560	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2cncs2)C1=O	ZINC001085234451	923018187	/nfs/dbraw/zinc/01/81/87/923018187.db2.gz	VMAVHDNYXRETDG-BZUAXINKSA-N	1	0	362.499	1.490	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000734243040	923119425	/nfs/dbraw/zinc/11/94/25/923119425.db2.gz	DDVLCJZDVFUAEB-QGZVFWFLSA-N	1	0	363.483	1.788	20	30		FDEDRO
CCn1cc(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)nn1	ZINC001085281701	923484190	/nfs/dbraw/zinc/48/41/90/923484190.db2.gz	HFAWONLQLYLNRX-RTBURBONSA-N	1	0	366.469	1.929	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C1CCCCC1	ZINC000734686714	923587797	/nfs/dbraw/zinc/58/77/97/923587797.db2.gz	SPJUQBYCHVEDOL-SFHVURJKSA-N	1	0	362.518	1.370	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c(C)c(C)nn(C)c1=O	ZINC001085292568	923599311	/nfs/dbraw/zinc/59/93/11/923599311.db2.gz	SRFCZJADYVNNLM-ZIAGYGMSSA-N	1	0	352.866	1.780	20	30		FDEDRO
Cn1c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)c[nH]c1=O	ZINC001085297139	923625189	/nfs/dbraw/zinc/62/51/89/923625189.db2.gz	HMRAYKWHZBBTMI-HZPDHXFCSA-N	1	0	353.426	1.828	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCO[C@@H](C)C2)C1	ZINC001085323327	923857143	/nfs/dbraw/zinc/85/71/43/923857143.db2.gz	BONYHEPGRSKXOJ-GVDBMIGSSA-N	1	0	363.502	1.607	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCCC2=O)c1	ZINC001085326615	923887932	/nfs/dbraw/zinc/88/79/32/923887932.db2.gz	YJYUTMAKVNCYQS-QZTJIDSGSA-N	1	0	354.454	1.316	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[C@H]2C(N)=O)cc1F	ZINC001085334923	923971819	/nfs/dbraw/zinc/97/18/19/923971819.db2.gz	QRGVOYBHWWYSRR-YALNPMBYSA-N	1	0	358.417	1.336	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H](CC)C(N)=O)cc1	ZINC001085356268	924157945	/nfs/dbraw/zinc/15/79/45/924157945.db2.gz	NNIZJTKICYRPNE-RCCFBDPRSA-N	1	0	357.454	1.593	20	30		FDEDRO
Cn1ncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(OCC#N)cc2)n1	ZINC001085362699	924257997	/nfs/dbraw/zinc/25/79/97/924257997.db2.gz	RCTABKZTGBZTMY-IAGOWNOFSA-N	1	0	368.441	1.548	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC1	ZINC001066245404	924292179	/nfs/dbraw/zinc/29/21/79/924292179.db2.gz	CDGOIGTVZWTCOY-KSZLIROESA-N	1	0	365.518	1.805	20	30		FDEDRO
N#Cc1cccc(-c2c[nH]c(CNC(=O)C3C[NH+]([C@H]4CCOC4)C3)n2)c1	ZINC000826791759	924308184	/nfs/dbraw/zinc/30/81/84/924308184.db2.gz	BQKVQWNGKADUGK-INIZCTEOSA-N	1	0	351.410	1.285	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnnn1C	ZINC001085397412	924442634	/nfs/dbraw/zinc/44/26/34/924442634.db2.gz	IVTVHRXGDYSQGJ-IAGOWNOFSA-N	1	0	368.441	1.053	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCn1cccn1	ZINC001085398699	924448174	/nfs/dbraw/zinc/44/81/74/924448174.db2.gz	VOHAOKRXPJEXAI-QZTJIDSGSA-N	1	0	367.453	1.621	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@H]3CN(c4ncccc4C#N)C[C@H]32)O1	ZINC001066252371	924486009	/nfs/dbraw/zinc/48/60/09/924486009.db2.gz	MQLSXTYQSSDIIT-BZZMCLGOSA-N	1	0	369.469	1.100	20	30		FDEDRO
Cn1nc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)ccc1=O	ZINC001085414911	924545519	/nfs/dbraw/zinc/54/55/19/924545519.db2.gz	UJIVLVDNSPRCBX-IAGOWNOFSA-N	1	0	365.437	1.483	20	30		FDEDRO
Cc1ccc(N(CCC#N)C(=O)CN2CC[NH+](C(C)(C)CO)CC2)cc1C	ZINC000735870696	924611870	/nfs/dbraw/zinc/61/18/70/924611870.db2.gz	OMAOLHLXWRBZDB-UHFFFAOYSA-N	1	0	372.513	1.939	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NCc2ncc(C)cn2)CC1	ZINC001085432908	924681243	/nfs/dbraw/zinc/68/12/43/924681243.db2.gz	VVOGNCJRYIXEMV-RTBURBONSA-N	1	0	369.513	1.647	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)Nc2ccc(OC)c(OC)c2)CC1	ZINC000735939552	924685743	/nfs/dbraw/zinc/68/57/43/924685743.db2.gz	HFNNZGMZSIGBBD-CQSZACIVSA-N	1	0	374.437	1.919	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)N[C@H]2CCOc3ccccc32)CC1	ZINC000735939326	924686941	/nfs/dbraw/zinc/68/69/41/924686941.db2.gz	DWNOMTKLHXHARP-KRWDZBQOSA-N	1	0	356.422	1.515	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)CC1	ZINC000735940362	924687036	/nfs/dbraw/zinc/68/70/36/924687036.db2.gz	PAENUDDQFUDZSL-UHFFFAOYSA-N	1	0	359.813	1.736	20	30		FDEDRO
CCCCCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1	ZINC001108210592	925299079	/nfs/dbraw/zinc/29/90/79/925299079.db2.gz	BGCOGJTYQKELQH-FRQCXROJSA-N	1	0	369.506	1.197	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1	ZINC000740738936	925412540	/nfs/dbraw/zinc/41/25/40/925412540.db2.gz	PKTYDWZWSPPNKS-UHFFFAOYSA-N	1	0	370.421	1.900	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccccc2OCC(=O)N(C)C)CC1	ZINC000740737409	925420809	/nfs/dbraw/zinc/42/08/09/925420809.db2.gz	MPEYRXCNPROYNU-UHFFFAOYSA-N	1	0	357.454	1.371	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cccc(CN3CCOCC3)c2)CC1	ZINC000740737746	925422105	/nfs/dbraw/zinc/42/21/05/925422105.db2.gz	VIPRSZBAZKBNMW-UHFFFAOYSA-N	1	0	355.482	1.736	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@]1(C)C[N@H+](CC2CCOCC2)CCO1	ZINC001108226053	925538994	/nfs/dbraw/zinc/53/89/94/925538994.db2.gz	HOOQHFAHJCQHAL-AOIWGVFYSA-N	1	0	352.475	1.211	20	30		FDEDRO
C#CCN1CCO[C@@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1	ZINC001108231599	925713186	/nfs/dbraw/zinc/71/31/86/925713186.db2.gz	YEXKKCYCJMXYRH-DYXWJJEUSA-N	1	0	355.482	1.172	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(C(=O)O[C@@H](C)C(=O)N(C)CCC#N)cc2)CC1	ZINC000741340428	925716799	/nfs/dbraw/zinc/71/67/99/925716799.db2.gz	IZEJPEDQDBTYSY-INIZCTEOSA-N	1	0	372.469	1.746	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C1CC[NH+](Cc2ccccc2)CC1	ZINC000741331393	925722945	/nfs/dbraw/zinc/72/29/45/925722945.db2.gz	VCRLLKHRHXSNMW-OAHLLOKOSA-N	1	0	373.453	1.842	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(C#N)[nH]1	ZINC001006288696	926269083	/nfs/dbraw/zinc/26/90/83/926269083.db2.gz	UPXJVQDLWPQURL-JFOHDYCDSA-N	1	0	355.442	1.232	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CSCN2C(=O)CCCC)CC1	ZINC000743492038	926378261	/nfs/dbraw/zinc/37/82/61/926378261.db2.gz	NRCHUSASSYUDCV-MRXNPFEDSA-N	1	0	351.516	1.682	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CN(C(C)=O)c3ccccc3O2)CC1	ZINC000743493359	926379043	/nfs/dbraw/zinc/37/90/43/926379043.db2.gz	PLYUPRAXNCTPGY-LJQANCHMSA-N	1	0	355.438	1.404	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H](c2ccccc2F)N2CCOCC2)CC1	ZINC000743492581	926379269	/nfs/dbraw/zinc/37/92/69/926379269.db2.gz	WEEDAWNTYJHAEU-FQEVSTJZSA-N	1	0	373.472	1.803	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1	ZINC000743946002	926523219	/nfs/dbraw/zinc/52/32/19/926523219.db2.gz	GBUMGVWHNWZKKR-QGZVFWFLSA-N	1	0	356.426	1.256	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@]1(C)C[N@H+](CC2CCOCC2)CCO1	ZINC001108275215	927208404	/nfs/dbraw/zinc/20/84/04/927208404.db2.gz	ZZDCKPWQZVBIHB-BJLQDIEVSA-N	1	0	366.502	1.601	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc3nonc3c2)C1	ZINC001086483109	927537582	/nfs/dbraw/zinc/53/75/82/927537582.db2.gz	MCCDKNWWQGQCKP-ADAWSYLGSA-N	1	0	356.426	1.798	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)CCNC(=O)C2N=CC=CC2=O)C1	ZINC000746180304	927650303	/nfs/dbraw/zinc/65/03/03/927650303.db2.gz	DXAHNBMNAMAJBL-AGUJHBOHSA-N	1	0	374.485	1.767	20	30		FDEDRO
CC[C@H](C#N)Oc1cc(CNC(=O)CN2CC[NH+](CC)CC2)ccc1OC	ZINC000746262348	927700139	/nfs/dbraw/zinc/70/01/39/927700139.db2.gz	YMBCZBWEVCMWIB-QGZVFWFLSA-N	1	0	374.485	1.630	20	30		FDEDRO
CCOC(=O)c1cc(C#N)c(C)nc1-n1nnc(-c2cccc(C[NH3+])c2)n1	ZINC001168876951	928156307	/nfs/dbraw/zinc/15/63/07/928156307.db2.gz	QREREWHXHVEUNU-UHFFFAOYSA-N	1	0	363.381	1.540	20	30		FDEDRO
C#Cc1cccc(N(CC)CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1	ZINC000103145897	928369215	/nfs/dbraw/zinc/36/92/15/928369215.db2.gz	VAYSGTQOVNHAIE-HXUWFJFHSA-N	1	0	357.498	1.967	20	30		FDEDRO
N#CCC1(O)CN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1	ZINC001169629910	928802980	/nfs/dbraw/zinc/80/29/80/928802980.db2.gz	RSQFJWCYQXBMAU-UHFFFAOYSA-N	1	0	360.483	1.134	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@H]1CCSC1	ZINC000767068791	929066239	/nfs/dbraw/zinc/06/62/39/929066239.db2.gz	LFMNBKCCNCRSKE-UONOGXRCSA-N	1	0	368.503	1.395	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2	ZINC001109560725	929763303	/nfs/dbraw/zinc/76/33/03/929763303.db2.gz	OGLFQXUGUAYKFQ-IKGGRYGDSA-N	1	0	362.518	1.275	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cccn3)nc1)C2	ZINC001109579047	929824144	/nfs/dbraw/zinc/82/41/44/929824144.db2.gz	AFLBOBKTQNMQOU-SQNIBIBYSA-N	1	0	367.453	1.805	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3cc(C)nn3c1C)C2	ZINC001109580562	929828546	/nfs/dbraw/zinc/82/85/46/929828546.db2.gz	PJRFDAZQSAKTPF-NJAFHUGGSA-N	1	0	369.469	1.884	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1ccccc1=O)C2	ZINC001109600866	929893101	/nfs/dbraw/zinc/89/31/01/929893101.db2.gz	RIVIKZWTAGLWPY-SQNIBIBYSA-N	1	0	359.470	1.553	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COC1CCOCC1	ZINC001109605669	929929423	/nfs/dbraw/zinc/92/94/23/929929423.db2.gz	MGOPQCJWOFXFHC-LMSBXDPUSA-N	1	0	366.502	1.477	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CN(C(C)C)CCO1)C2	ZINC001109639654	929972923	/nfs/dbraw/zinc/97/29/23/929972923.db2.gz	XTLASIDVJVDFNV-VSZNYVQBSA-N	1	0	351.491	1.020	20	30		FDEDRO
C=C(Br)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2	ZINC001109649226	930009964	/nfs/dbraw/zinc/00/99/64/930009964.db2.gz	YVFJNZLCHXWTNB-RDBSUJKOSA-N	1	0	356.308	1.958	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](O)COCC(C)C)c1	ZINC001109696964	930140971	/nfs/dbraw/zinc/14/09/71/930140971.db2.gz	QAUPNGHLNDTGCV-ZRNYENFQSA-N	1	0	371.481	1.432	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3cccn3)n1)C2	ZINC001109709600	930184539	/nfs/dbraw/zinc/18/45/39/930184539.db2.gz	QOJJDEXLPVISJM-NJAFHUGGSA-N	1	0	367.453	1.805	20	30		FDEDRO
COCC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CC[C@@H](C)O1)C[C@@H](C)O2	ZINC001111550954	930191745	/nfs/dbraw/zinc/19/17/45/930191745.db2.gz	ORHBSPNFXCXMJE-KZNAEPCWSA-N	1	0	364.486	1.286	20	30		FDEDRO
COC(=O)C[C@@]1([NH2+]CC(=O)N(C)C2(C#N)CCCCC2)CCCOC1	ZINC000770691589	930204189	/nfs/dbraw/zinc/20/41/89/930204189.db2.gz	JVMKFCPVKLRHFU-KRWDZBQOSA-N	1	0	351.447	1.373	20	30		FDEDRO
COC(=O)C[C@]1([NH2+]CCC(=O)Nc2sccc2C#N)CCCOC1	ZINC000770691930	930204259	/nfs/dbraw/zinc/20/42/59/930204259.db2.gz	LMUQPKKRAKSNHP-MRXNPFEDSA-N	1	0	351.428	1.650	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3c(C)ncc3C1)C2	ZINC001109718722	930236462	/nfs/dbraw/zinc/23/64/62/930236462.db2.gz	KMIKZUOYJGEWGS-NBMJBFSESA-N	1	0	358.486	1.678	20	30		FDEDRO
COC(=O)Cc1cc(Cl)nc(-n2nnc3ccc(C[NH3+])cc32)c1C#N	ZINC001170017921	930264923	/nfs/dbraw/zinc/26/49/23/930264923.db2.gz	VWEGEVLPVVGOKJ-UHFFFAOYSA-N	1	0	356.773	1.515	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)c(=O)n(C)c1=O)C2	ZINC001109780634	930433289	/nfs/dbraw/zinc/43/32/89/930433289.db2.gz	ZUBJMFQGGWWKQY-PVAVHDDUSA-N	1	0	374.485	1.166	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2	ZINC001109857901	930611029	/nfs/dbraw/zinc/61/10/29/930611029.db2.gz	JADVLCSCPTVPFE-VUHPKUFZSA-N	1	0	364.534	1.377	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C(=O)N(C)C(C)C)CC1)C2	ZINC001109905899	930703639	/nfs/dbraw/zinc/70/36/39/930703639.db2.gz	BPQVHKPUZXFAOA-IKGGRYGDSA-N	1	0	363.502	1.558	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C[C@@H]3CCOC3)nn1)C2	ZINC001109900845	930714337	/nfs/dbraw/zinc/71/43/37/930714337.db2.gz	IYKCOSDAIZETJC-DFGXFYAUSA-N	1	0	359.474	1.616	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CCCC)nc1C)C2	ZINC001109953633	930865348	/nfs/dbraw/zinc/86/53/48/930865348.db2.gz	TUNSDNYJTKLRJM-NJAFHUGGSA-N	1	0	371.485	1.076	20	30		FDEDRO
N#Cc1cc(S(N)(=O)=O)ccc1NCC1CCN(c2cc[nH+]cc2)CC1	ZINC000771718841	930867009	/nfs/dbraw/zinc/86/70/09/930867009.db2.gz	WLHJVDLWIACVHZ-UHFFFAOYSA-N	1	0	371.466	1.929	20	30		FDEDRO
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N	ZINC000771721116	930868851	/nfs/dbraw/zinc/86/88/51/930868851.db2.gz	DLTSRZAUNVGNBY-GFCCVEGCSA-N	1	0	364.450	1.675	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1Cc3ccccc3C1=O)C2	ZINC001109997846	930994025	/nfs/dbraw/zinc/99/40/25/930994025.db2.gz	FHNUOMXBHBUJSK-NEWSRXKRSA-N	1	0	369.465	1.567	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2	ZINC001110002633	931045423	/nfs/dbraw/zinc/04/54/23/931045423.db2.gz	OELOBCXTWGYABN-YVSFHVDLSA-N	1	0	350.507	1.131	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)NCCc2ccc(F)cc2)CC1	ZINC000772116848	931083105	/nfs/dbraw/zinc/08/31/05/931083105.db2.gz	ZMYLIEUBTQPJPV-HNNXBMFYSA-N	1	0	360.429	1.761	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCOC	ZINC001110034726	931155819	/nfs/dbraw/zinc/15/58/19/931155819.db2.gz	LHKSQORZCCBCLN-AABGKKOBSA-N	1	0	356.466	1.595	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c(cn1)OCCC3)C2	ZINC001110042865	931219279	/nfs/dbraw/zinc/21/92/79/931219279.db2.gz	KUOXCTQMBQAMJT-RYRKJORJSA-N	1	0	357.454	1.944	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNS(=O)(=O)CCCC)C2	ZINC001110042822	931219466	/nfs/dbraw/zinc/21/94/66/931219466.db2.gz	IMPUBZZJTUHNOO-PMPSAXMXSA-N	1	0	357.520	1.394	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c(cn1)nc[nH]c3=O)C2	ZINC001110043762	931225837	/nfs/dbraw/zinc/22/58/37/931225837.db2.gz	FODQTGYLHWRKFM-IFIJOSMWSA-N	1	0	369.425	1.268	20	30		FDEDRO
C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](O)COC)CCOCC1	ZINC001110046914	931246632	/nfs/dbraw/zinc/24/66/32/931246632.db2.gz	DAZXBFSGMQXRQA-QZWWFDLISA-N	1	0	352.475	1.088	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)CCC1CCCC1)C2	ZINC001112546667	931438928	/nfs/dbraw/zinc/43/89/28/931438928.db2.gz	XYGRWCGKZGTSOB-RXVVDRJESA-N	1	0	359.514	1.925	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(-n3ccnc3)nn1)C2	ZINC001112545273	931454171	/nfs/dbraw/zinc/45/41/71/931454171.db2.gz	ZBNQZQMNGNJKGR-KXBFYZLASA-N	1	0	350.426	1.127	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1nccs1)C2	ZINC001112550842	931461550	/nfs/dbraw/zinc/46/15/50/931461550.db2.gz	RRBWTRLXIIESQM-GLJUWKHASA-N	1	0	360.483	1.113	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1ccco1)C2	ZINC001112549956	931517620	/nfs/dbraw/zinc/51/76/20/931517620.db2.gz	YOXDXOUJBSOQEU-GUXCAODWSA-N	1	0	357.454	1.178	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCc1nncn1C)C2	ZINC001112555089	931525582	/nfs/dbraw/zinc/52/55/82/931525582.db2.gz	YTEXOCUHRPNOIE-LPHOPBHVSA-N	1	0	361.490	1.516	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn(C)nc1Cl)C2	ZINC001112561851	931590250	/nfs/dbraw/zinc/59/02/50/931590250.db2.gz	VPLPHDSCSFDCLY-KSSFIOAISA-N	1	0	364.877	1.555	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)c1ccccc1)C2	ZINC001112568326	931630149	/nfs/dbraw/zinc/63/01/49/931630149.db2.gz	KGVIASLZMWHBIW-RXVVDRJESA-N	1	0	353.466	1.658	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCN(C(C)=O)C1)C2	ZINC001112571197	931653609	/nfs/dbraw/zinc/65/36/09/931653609.db2.gz	IXLQDJANPLZJOJ-RYRKJORJSA-N	1	0	353.894	1.826	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@@H](C)C(N)=O)C2)CCOCC1	ZINC001112571347	931654344	/nfs/dbraw/zinc/65/43/44/931654344.db2.gz	QZQIDJVYTBIJGN-FTRWYGJKSA-N	1	0	363.502	1.451	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)C(N)=O)C1	ZINC001112569603	931662551	/nfs/dbraw/zinc/66/25/51/931662551.db2.gz	GEDOEAVZCPYVDO-YWMUFLPLSA-N	1	0	353.466	1.303	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1C(=O)CCC1=O)C2	ZINC001112575314	931703621	/nfs/dbraw/zinc/70/36/21/931703621.db2.gz	COPGNPNNAXYPQS-GUXCAODWSA-N	1	0	361.486	1.708	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C)nc3cc(C)nn31)C2	ZINC001112581754	931745409	/nfs/dbraw/zinc/74/54/09/931745409.db2.gz	LOGCVTQSOVWJKH-JXFKEZNVSA-N	1	0	351.454	1.811	20	30		FDEDRO
C[NH+](C)CCc1ccc(CNC(=O)NCCNc2ccc(C#N)cn2)cc1	ZINC000786110566	931755765	/nfs/dbraw/zinc/75/57/65/931755765.db2.gz	ATRPPYVPVBIJKA-UHFFFAOYSA-N	1	0	366.469	1.969	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1nccs1)C2	ZINC001112580889	931762610	/nfs/dbraw/zinc/76/26/10/931762610.db2.gz	LLIIUTOXBIONDO-LPHOPBHVSA-N	1	0	361.511	1.944	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCCOCC)C2	ZINC001112586593	931776811	/nfs/dbraw/zinc/77/68/11/931776811.db2.gz	HRJIQFJSPNEIIE-HKUYNNGSSA-N	1	0	354.491	1.460	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC(C1CC1)C1CC1)C2	ZINC001112586668	931777197	/nfs/dbraw/zinc/77/71/97/931777197.db2.gz	KJFGKCPCFSFBBV-AVRDEDQJSA-N	1	0	371.525	1.780	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)c1ccccn1)C2	ZINC001112584347	931782823	/nfs/dbraw/zinc/78/28/23/931782823.db2.gz	NUPNOCUCPRJSQG-UWJYYQICSA-N	1	0	370.497	1.996	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)CS(C)(=O)=O)C2	ZINC001112587428	931809553	/nfs/dbraw/zinc/80/95/53/931809553.db2.gz	WXZMAJZNTWLOMW-BQFCYCMXSA-N	1	0	356.532	1.852	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CC(=O)NC1=O)C2	ZINC001112594144	931865572	/nfs/dbraw/zinc/86/55/72/931865572.db2.gz	NJQFGHFZCGAGHB-DCGLDWPTSA-N	1	0	353.850	1.010	20	30		FDEDRO
Cc1cnc(C#N)c(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)n1	ZINC001170065312	932083544	/nfs/dbraw/zinc/08/35/44/932083544.db2.gz	BIPNYVZGAINCPI-UHFFFAOYSA-N	1	0	368.422	1.359	20	30		FDEDRO
C[C@@H](OC(=O)c1c[nH]c(C#N)c1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000786906137	932085693	/nfs/dbraw/zinc/08/56/93/932085693.db2.gz	CZOWEBORENTGGZ-PBHICJAKSA-N	1	0	366.421	1.822	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCC(CO)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1	ZINC001112680469	932184441	/nfs/dbraw/zinc/18/44/41/932184441.db2.gz	HZHCRPKWQQVJLN-NVXWUHKLSA-N	1	0	371.485	1.049	20	30		FDEDRO
C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)NCCC#N)cc2F)CC1	ZINC000787590549	932326604	/nfs/dbraw/zinc/32/66/04/932326604.db2.gz	PSYJHBWQRXCMST-UHFFFAOYSA-N	1	0	361.421	1.324	20	30		FDEDRO
N#Cc1ncc(Br)cc1N1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000787899317	932480242	/nfs/dbraw/zinc/48/02/42/932480242.db2.gz	UQCIOCSLQQPBFP-LBPRGKRZSA-N	1	0	351.248	1.874	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](CC)C[NH+]2CCCC2)n1	ZINC000789088762	932933112	/nfs/dbraw/zinc/93/31/12/932933112.db2.gz	QPQFBFOUMMFDNS-KRWDZBQOSA-N	1	0	361.490	1.549	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)n1	ZINC000789091508	932933942	/nfs/dbraw/zinc/93/39/42/932933942.db2.gz	WGVGFUUDXAPVSW-YJBOKZPZSA-N	1	0	359.474	1.157	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)CCN(C)c2cc[nH+]cc2)n1	ZINC000790103909	933367644	/nfs/dbraw/zinc/36/76/44/933367644.db2.gz	AMSSOVKVILYMOH-UHFFFAOYSA-N	1	0	355.442	1.413	20	30		FDEDRO
C=CC[C@@]1(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CCCN1C(=O)OC(C)(C)C	ZINC000790891697	933773302	/nfs/dbraw/zinc/77/33/02/933773302.db2.gz	AKZSIJXSKIDCST-OALUTQOASA-N	1	0	367.490	1.515	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnn3c2OCCC3)C1	ZINC001086597434	933970865	/nfs/dbraw/zinc/97/08/65/933970865.db2.gz	FGYNEZXBLDCNFP-RBUKOAKNSA-N	1	0	364.449	1.887	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1	ZINC001086600403	934081571	/nfs/dbraw/zinc/08/15/71/934081571.db2.gz	QWBWYKCSVDVIAO-ZWKOTPCHSA-N	1	0	366.465	1.944	20	30		FDEDRO
C#CCC[C@H](O)CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2	ZINC000822679123	945154516	/nfs/dbraw/zinc/15/45/16/945154516.db2.gz	AROOHQAJDBUXFP-QKNQBKEWSA-N	1	0	356.466	1.416	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC2(CNc3ccnc(C#N)n3)CCCCC2)CC[N@@H+]1C	ZINC001114186429	938325586	/nfs/dbraw/zinc/32/55/86/938325586.db2.gz	MVRGHUDXBKIWSC-JKSUJKDBSA-N	1	0	370.501	1.731	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1	ZINC001086619910	938358201	/nfs/dbraw/zinc/35/82/01/938358201.db2.gz	NVUXIUUWODDHCJ-UONOGXRCSA-N	1	0	370.409	1.280	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(N(C)C)nn2)C1	ZINC001086620511	938359849	/nfs/dbraw/zinc/35/98/49/938359849.db2.gz	WAJBSSICFBZRLB-PKOBYXMFSA-N	1	0	363.465	1.764	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCCCC)C[C@@H]2n2ccnn2)cn1	ZINC001129397626	938403088	/nfs/dbraw/zinc/40/30/88/938403088.db2.gz	WMJLLEUMAMSKBL-MOPGFXCFSA-N	1	0	366.469	1.890	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)COc2ccccc2C)[C@@H](n2ccnn2)C1	ZINC001129412186	938407598	/nfs/dbraw/zinc/40/75/98/938407598.db2.gz	LYWXTCUKZICPJS-SJORKVTESA-N	1	0	353.426	1.030	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)Cc2ccccc2F)[C@@H](n2ccnn2)C1	ZINC001129412280	938407664	/nfs/dbraw/zinc/40/76/64/938407664.db2.gz	OSHPTYOKZJDPAE-MSOLQXFVSA-N	1	0	357.433	1.968	20	30		FDEDRO
C=C(C)CN1C[C@@H](NC(=O)COc2cc(C)ccc2C)[C@@H](n2ccnn2)C1	ZINC001129445207	938417829	/nfs/dbraw/zinc/41/78/29/938417829.db2.gz	DMQREIYBFXZYTE-MSOLQXFVSA-N	1	0	369.469	1.892	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)c2ccc(F)cc2)[C@@H](n2ccnn2)C1	ZINC001129449318	938419593	/nfs/dbraw/zinc/41/95/93/938419593.db2.gz	LRBPOQVGEBREIQ-IPELMVKDSA-N	1	0	369.444	1.976	20	30		FDEDRO
C[C@@H](F)CC[N@@H+]1C[C@@H](NC(=O)CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129453644	938420556	/nfs/dbraw/zinc/42/05/56/938420556.db2.gz	GHQTZQNVAWAHPH-QRQLOZEOSA-N	1	0	369.444	1.810	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)CCn2cc(C)cn2)[C@@H](n2ccnn2)C1	ZINC001129453628	938420731	/nfs/dbraw/zinc/42/07/31/938420731.db2.gz	FRBIHPIPJMIRCX-SJORKVTESA-N	1	0	357.462	1.181	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)COc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129438116	938425180	/nfs/dbraw/zinc/42/51/80/938425180.db2.gz	OUSYMAODGZQGFR-UHOSZYNNSA-N	1	0	367.453	1.358	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)COCCC=C)[C@@H](n2ccnn2)C1	ZINC001129477146	938433266	/nfs/dbraw/zinc/43/32/66/938433266.db2.gz	ZPCYXAXPALHMOD-MSOLQXFVSA-N	1	0	361.490	1.959	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2ccc(F)cc2)[C@@H](n2ccnn2)C1	ZINC001129484816	938439718	/nfs/dbraw/zinc/43/97/18/938439718.db2.gz	JPFNUFNZQOLPGN-IPELMVKDSA-N	1	0	369.444	1.661	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCc2cscn2)[C@@H](n2ccnn2)C1	ZINC001129484894	938440537	/nfs/dbraw/zinc/44/05/37/938440537.db2.gz	OCYIIDSMLPKHIJ-CVEARBPZSA-N	1	0	360.487	1.675	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)NC(C)=O)C[C@@H]1n1ccnn1	ZINC001129553029	938452342	/nfs/dbraw/zinc/45/23/42/938452342.db2.gz	MUKOZXROJXADED-UAGQMJEPSA-N	1	0	364.494	1.115	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccc(C)nc2)C[C@@H]1n1ccnn1	ZINC001129582884	938464819	/nfs/dbraw/zinc/46/48/19/938464819.db2.gz	UAKAJFKNVNXBBG-NXHRZFHOSA-N	1	0	354.458	1.992	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ncoc2CC)C[C@@H]1n1ccnn1	ZINC001129698961	938488248	/nfs/dbraw/zinc/48/82/48/938488248.db2.gz	CGYWBTSYNZVYGS-KFWWJZLASA-N	1	0	358.446	1.839	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCOC2)C[C@@H]1n1ccnn1	ZINC001129699423	938488527	/nfs/dbraw/zinc/48/85/27/938488527.db2.gz	UUHRGNCRILJWEB-KSZLIROESA-N	1	0	361.490	1.793	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]CC/C=C/c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129677980	938491050	/nfs/dbraw/zinc/49/10/50/938491050.db2.gz	RHDSDPMLHLYIJM-CQWWFZQTSA-N	1	0	364.453	1.883	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2oc(C)nc2C)C[C@@H]1n1ccnn1	ZINC001129716739	938493051	/nfs/dbraw/zinc/49/30/51/938493051.db2.gz	AHEHBZJTIPYREC-MAZHCROVSA-N	1	0	358.446	1.893	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cc[nH]c(=O)c2)C[C@@H]1n1ccnn1	ZINC001129737192	938497129	/nfs/dbraw/zinc/49/71/29/938497129.db2.gz	IWRILZUVAWSROV-IMJJTQAJSA-N	1	0	356.430	1.389	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cc[nH]c2CC)C[C@@H]1n1ccnn1	ZINC001129795999	938509301	/nfs/dbraw/zinc/50/93/01/938509301.db2.gz	WPMHTXUEWJPQKC-SJORKVTESA-N	1	0	358.446	1.027	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCCO2)[C@@H](n2ccnn2)C1	ZINC001129816894	938521065	/nfs/dbraw/zinc/52/10/65/938521065.db2.gz	MRXLUIASTQMNFC-BBWFWOEESA-N	1	0	359.474	1.238	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CC/C=C\CCC)[C@@H](n2ccnn2)C1	ZINC001129829950	938523974	/nfs/dbraw/zinc/52/39/74/938523974.db2.gz	QUYGEGYVJRULFH-CBETYXLMSA-N	1	0	359.474	1.404	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N2C[C@@H]([NH2+]CCC)[C@@H](n3ccnn3)C2)cc1	ZINC001129845160	938525350	/nfs/dbraw/zinc/52/53/50/938525350.db2.gz	NLACLGPLHFLQSF-MOPGFXCFSA-N	1	0	367.453	1.746	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H]([NH2+]CCC[C@@H](C)O)[C@@H](n2ccnn2)C1	ZINC001129866713	938526143	/nfs/dbraw/zinc/52/61/43/938526143.db2.gz	HXIPCQYPMZPVEU-NXHRZFHOSA-N	1	0	361.490	1.549	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H](OCC)C2=CCCC2)C[C@@H]1n1ccnn1	ZINC001129849928	938526687	/nfs/dbraw/zinc/52/66/87/938526687.db2.gz	CDZIEWMNVVPZTC-QYZOEREBSA-N	1	0	371.485	1.548	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC(=O)N(C)C2)C1	ZINC001086625459	938529389	/nfs/dbraw/zinc/52/93/89/938529389.db2.gz	BSXGGBLQFNCEJL-GBESFXJTSA-N	1	0	353.466	1.462	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCc2csc(C)n2)C[C@@H]1n1ccnn1	ZINC001129857890	938529922	/nfs/dbraw/zinc/52/99/22/938529922.db2.gz	JMYOTDGFSOCSSU-CVEARBPZSA-N	1	0	360.487	1.593	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)n(C)n2)C[C@@H]1n1ccnn1	ZINC001129837811	938535076	/nfs/dbraw/zinc/53/50/76/938535076.db2.gz	MLEGYOVAJDRWHQ-WBVHZDCISA-N	1	0	357.462	1.366	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H]([NH2+]CC2CCC2)[C@@H](n2ccnn2)C1)OCC	ZINC001129878930	938536300	/nfs/dbraw/zinc/53/63/00/938536300.db2.gz	LJBDXFDDXNRVSD-SQNIBIBYSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCOc2cccc(F)c2)C[C@@H]1n1ccnn1	ZINC001129884032	938538607	/nfs/dbraw/zinc/53/86/07/938538607.db2.gz	HRBJIGFYSBPWSK-SJORKVTESA-N	1	0	359.405	1.414	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(C)nnc2C)C[C@@H]1n1ccnn1	ZINC001129876284	938546770	/nfs/dbraw/zinc/54/67/70/938546770.db2.gz	IRQKWJFZNRIKHM-VHSSKADRSA-N	1	0	369.473	1.695	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2ccncn2)C[C@@H]1n1ccnn1	ZINC001129876751	938547270	/nfs/dbraw/zinc/54/72/70/938547270.db2.gz	XZCUOYCXKCGNSY-NXHRZFHOSA-N	1	0	369.473	1.397	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2CC)C[C@@H]1n1ccnn1	ZINC001129904526	938547974	/nfs/dbraw/zinc/54/79/74/938547974.db2.gz	HTDCXTIIZLUUKV-SJORKVTESA-N	1	0	357.462	1.196	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1C	ZINC000804742889	938548791	/nfs/dbraw/zinc/54/87/91/938548791.db2.gz	IQROEHWKOUMPNB-UHFFFAOYSA-N	1	0	359.879	1.161	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH]ccc-3n2)C[C@@H]1n1ccnn1	ZINC001129910067	938549627	/nfs/dbraw/zinc/54/96/27/938549627.db2.gz	BFHZWJCQYAJFBO-MSOLQXFVSA-N	1	0	365.441	1.776	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnoc2-c2ccco2)C[C@@H]1n1ccnn1	ZINC001129914887	938552848	/nfs/dbraw/zinc/55/28/48/938552848.db2.gz	LUTLNUZHOKYKLB-CABCVRRESA-N	1	0	366.381	1.205	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H]([NH2+]CCC(=C)C)[C@@H](n3ccnn3)C2)CCOCC1	ZINC001129894647	938556119	/nfs/dbraw/zinc/55/61/19/938556119.db2.gz	MWOJBYSFUCLURW-MSOLQXFVSA-N	1	0	371.485	1.406	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc(C(N)=O)n2)C1	ZINC001086626029	938556292	/nfs/dbraw/zinc/55/62/92/938556292.db2.gz	PNEXGQAWRFGXOH-QFBILLFUSA-N	1	0	362.433	1.402	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ncc(C)cc2OC)C[C@@H]1n1ccnn1	ZINC001129895591	938557150	/nfs/dbraw/zinc/55/71/50/938557150.db2.gz	DTEMYVYBRAYPRG-CABCVRRESA-N	1	0	356.430	1.222	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2[nH]cnc2C(F)(F)F)C[C@@H]1n1ccnn1	ZINC001129896402	938557660	/nfs/dbraw/zinc/55/76/60/938557660.db2.gz	YJRZCKNIHWKHKY-MNOVXSKESA-N	1	0	369.351	1.251	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)C2CC2)C[C@@H]1n1ccnn1	ZINC001129934002	938563014	/nfs/dbraw/zinc/56/30/14/938563014.db2.gz	JYFLYLLEOOKDCF-AABGKKOBSA-N	1	0	363.465	1.837	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CC(C)(C)CC(F)F)C[C@@H]1n1ccnn1	ZINC001129939778	938565708	/nfs/dbraw/zinc/56/57/08/938565708.db2.gz	WQWOKTGHHRPPLY-KGLIPLIRSA-N	1	0	353.417	1.714	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2nccc3occc32)C[C@@H]1n1ccnn1	ZINC001129941002	938566179	/nfs/dbraw/zinc/56/61/79/938566179.db2.gz	DWLQSXOPBKIYBC-CABCVRRESA-N	1	0	350.382	1.098	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)(C)C)n[nH]2)C[C@@H]1n1ccnn1	ZINC001129920990	938568305	/nfs/dbraw/zinc/56/83/05/938568305.db2.gz	JASIHHRHDWPEJG-CVEARBPZSA-N	1	0	371.489	1.920	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccnc2C(F)F)C[C@@H]1n1ccnn1	ZINC001129928939	938572558	/nfs/dbraw/zinc/57/25/58/938572558.db2.gz	VRPHOEZHEASZFU-KGLIPLIRSA-N	1	0	362.384	1.842	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2ccc(OC)nc2)C[C@@H]1n1ccnn1	ZINC001129930666	938573055	/nfs/dbraw/zinc/57/30/55/938573055.db2.gz	PZXWVFDELQIONE-SJORKVTESA-N	1	0	370.457	1.232	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2cc3ccccc3o2)C[C@@H]1n1ccnn1	ZINC001129948966	938573848	/nfs/dbraw/zinc/57/38/48/938573848.db2.gz	IKJOMERRFLLVKA-MSOLQXFVSA-N	1	0	363.421	1.632	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCOc2ccccc2C)C[C@@H]1n1ccnn1	ZINC001129952445	938575488	/nfs/dbraw/zinc/57/54/88/938575488.db2.gz	UQMRTJULEUNKSJ-MSOLQXFVSA-N	1	0	369.469	1.973	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2nn(CC)nc2C)C1	ZINC001086626655	938577740	/nfs/dbraw/zinc/57/77/40/938577740.db2.gz	YVTIRLBFPJOGSF-ZWKOTPCHSA-N	1	0	351.454	1.828	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H]([NH2+]C[C@@H](CC)OC)[C@@H](n2ccnn2)C1	ZINC001129963847	938579266	/nfs/dbraw/zinc/57/92/66/938579266.db2.gz	IFTFPZVCMXHMRF-KURKYZTESA-N	1	0	361.490	1.628	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H]([NH2+]CCOCC=C)[C@@H](n2ccnn2)C1	ZINC001129963927	938579591	/nfs/dbraw/zinc/57/95/91/938579591.db2.gz	NCAYOGSAGGCHJG-MSOLQXFVSA-N	1	0	359.474	1.406	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C[C@@H]1n1ccnn1	ZINC001129943378	938580054	/nfs/dbraw/zinc/58/00/54/938580054.db2.gz	YRUKPSPYLDAYON-BDXSIMOUSA-N	1	0	359.474	1.401	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H]([NH2+]CCC2CC2)[C@@H](n2ccnn2)C1	ZINC001129945096	938580456	/nfs/dbraw/zinc/58/04/56/938580456.db2.gz	CFMLZRQCZYAEGQ-AOIWGVFYSA-N	1	0	361.490	1.649	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3cccnc32)C[C@@H]1n1ccnn1	ZINC001129983140	938597868	/nfs/dbraw/zinc/59/78/68/938597868.db2.gz	OCHOALZEWVBPIB-ZACQAIPSSA-N	1	0	352.442	1.321	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H]([NH2+]CCn2cccn2)[C@@H](n2ccnn2)C1	ZINC001129975958	938600422	/nfs/dbraw/zinc/60/04/22/938600422.db2.gz	AKOIQGQNHCETMO-ZACQAIPSSA-N	1	0	357.462	1.119	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cncnc2)C[C@@H]1n1ccnn1	ZINC001129976601	938600929	/nfs/dbraw/zinc/60/09/29/938600929.db2.gz	RXILXOUJZWMLRS-OIISXLGYSA-N	1	0	355.446	1.180	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]([NH2+]CCC[C@@H](C)O)[C@@H](n3ccnn3)C2)CCC1	ZINC001129994225	938602989	/nfs/dbraw/zinc/60/29/89/938602989.db2.gz	CBISCDQCIPKCCI-ZACQAIPSSA-N	1	0	361.490	1.527	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]([NH2+]C[C@@H](CC)OC)[C@@H](n3ccnn3)C2)CCC1	ZINC001129994364	938603279	/nfs/dbraw/zinc/60/32/79/938603279.db2.gz	JYHMATLDXUBDPI-ZACQAIPSSA-N	1	0	361.490	1.791	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H](COC)OC)C[C@@H]1n1ccnn1	ZINC001130002991	938603457	/nfs/dbraw/zinc/60/34/57/938603457.db2.gz	YGSBFCVOTNGEAG-IXDOHACOSA-N	1	0	367.494	1.251	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3nc[nH]c32)C[C@@H]1n1ccnn1	ZINC001130000628	938607758	/nfs/dbraw/zinc/60/77/58/938607758.db2.gz	HJCOFXIYROHFOH-IMJJTQAJSA-N	1	0	355.446	1.039	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)CC1	ZINC000804890460	938609663	/nfs/dbraw/zinc/60/96/63/938609663.db2.gz	QDFRNSHDUXHRLI-KFWWJZLASA-N	1	0	369.556	1.249	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130020556	938619463	/nfs/dbraw/zinc/61/94/63/938619463.db2.gz	LZLCDTSLJJPKIJ-QRQLOZEOSA-N	1	0	369.469	1.801	20	30		FDEDRO
C#CCCCS(=O)(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000804948443	938620095	/nfs/dbraw/zinc/62/00/95/938620095.db2.gz	UMMKCIPHZDUBKB-UHFFFAOYSA-N	1	0	363.527	1.527	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H]([NH2+]Cc2cncn2C)[C@@H](n2ccnn2)C1	ZINC001130022686	938620627	/nfs/dbraw/zinc/62/06/27/938620627.db2.gz	IJHZRCAYVDQTDE-CVEARBPZSA-N	1	0	357.462	1.156	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccnc(N(C)C)c2)C[C@@H]1n1ccnn1	ZINC001130023101	938621193	/nfs/dbraw/zinc/62/11/93/938621193.db2.gz	WBTHQYKWLXCNEG-SJORKVTESA-N	1	0	369.473	1.361	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H]([NH2+]CCc2ccnn2C)[C@@H](n2ccnn2)C1	ZINC001130023308	938621595	/nfs/dbraw/zinc/62/15/95/938621595.db2.gz	ZYCUZILWYAVMFZ-SJORKVTESA-N	1	0	371.489	1.198	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)CCc2ccccc2F)C[C@@H]1n1ccnn1	ZINC001130006249	938623669	/nfs/dbraw/zinc/62/36/69/938623669.db2.gz	ZIBUDXLQLNMWRN-LZQZEXGQSA-N	1	0	369.444	1.661	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(CC)ncnc2CC)C[C@@H]1n1ccnn1	ZINC001130009461	938626121	/nfs/dbraw/zinc/62/61/21/938626121.db2.gz	PZRNXKGKOWYELF-SJORKVTESA-N	1	0	369.473	1.424	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)cc3cn[nH]c32)C[C@@H]1n1ccnn1	ZINC001130040884	938627214	/nfs/dbraw/zinc/62/72/14/938627214.db2.gz	QGZKOPBXNBFFIF-SJORKVTESA-N	1	0	365.441	1.694	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3ccccc3O2)C[C@@H]1n1ccnn1	ZINC001130054649	938639649	/nfs/dbraw/zinc/63/96/49/938639649.db2.gz	HMZCQUNLAAPBEE-ZIFCJYIRSA-N	1	0	365.437	1.037	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](c2cccnc2)C(C)C)C[C@@H]1n1ccnn1	ZINC001130057233	938640374	/nfs/dbraw/zinc/64/03/74/938640374.db2.gz	PPSNEVJOJCUYCQ-QYZOEREBSA-N	1	0	366.469	1.478	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(CCC)on2)C[C@@H]1n1ccnn1	ZINC001130062784	938650972	/nfs/dbraw/zinc/65/09/72/938650972.db2.gz	XOESHYSTXKJUOE-SJORKVTESA-N	1	0	358.446	1.840	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3ccn(C)c3c2)C[C@@H]1n1ccnn1	ZINC001130070662	938658007	/nfs/dbraw/zinc/65/80/07/938658007.db2.gz	DCJCVXLFKJZIMZ-MJGOQNOKSA-N	1	0	362.437	1.448	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnc(OC)nc2)C[C@@H]1n1ccnn1	ZINC001130070817	938658014	/nfs/dbraw/zinc/65/80/14/938658014.db2.gz	HGMPRPYZFPOMFO-BMFZPTHFSA-N	1	0	371.445	1.087	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2oc(CC)nc2C)C[C@@H]1n1ccnn1	ZINC001130074690	938668806	/nfs/dbraw/zinc/66/88/06/938668806.db2.gz	FDBUZFITWJSKBZ-CABCVRRESA-N	1	0	358.446	1.758	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130074914	938669228	/nfs/dbraw/zinc/66/92/28/938669228.db2.gz	JEAMVKXRTMQOCX-MOPGFXCFSA-N	1	0	365.481	1.912	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]CC(CC)CC)[C@@H](n3ccnn3)C2)cn1	ZINC001130091257	938676494	/nfs/dbraw/zinc/67/64/94/938676494.db2.gz	IMZJJSFEKHNDHT-MOPGFXCFSA-N	1	0	366.469	1.746	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCc2sccc2C)C[C@@H]1n1ccnn1	ZINC001130105374	938686215	/nfs/dbraw/zinc/68/62/15/938686215.db2.gz	ZOBDPFQROYQMOS-CVEARBPZSA-N	1	0	357.483	1.646	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cncnc2C2CC2)C[C@@H]1n1ccnn1	ZINC001130107605	938687574	/nfs/dbraw/zinc/68/75/74/938687574.db2.gz	RWJCWHJTTOKZLV-SJORKVTESA-N	1	0	367.457	1.567	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCOc2ccccc2OC)C[C@@H]1n1ccnn1	ZINC001130112557	938691954	/nfs/dbraw/zinc/69/19/54/938691954.db2.gz	GHWAVMCYNBILTA-CVEARBPZSA-N	1	0	371.441	1.283	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2sc(C)nc2C)C[C@@H]1n1ccnn1	ZINC001130114903	938693894	/nfs/dbraw/zinc/69/38/94/938693894.db2.gz	IXNPJYHUPQFWDI-CABCVRRESA-N	1	0	360.487	1.973	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCOc2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001130125183	938696053	/nfs/dbraw/zinc/69/60/53/938696053.db2.gz	BNVLIRJZJIPKIL-MSOLQXFVSA-N	1	0	353.426	1.030	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)COc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130125390	938696276	/nfs/dbraw/zinc/69/62/76/938696276.db2.gz	LGPVHABLLPQRND-UHOSZYNNSA-N	1	0	369.469	1.911	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c3ncccc23)C[C@@H]1n1ccnn1	ZINC001130129508	938698952	/nfs/dbraw/zinc/69/89/52/938698952.db2.gz	LLNKLLOUZDLAOY-CVEARBPZSA-N	1	0	351.414	1.386	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc3c(c2)CCC3)C[C@@H]1n1ccnn1	ZINC001130119114	938702009	/nfs/dbraw/zinc/70/20/09/938702009.db2.gz	WNQDPPJUCJBESH-UXHICEINSA-N	1	0	363.465	1.374	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130123475	938705410	/nfs/dbraw/zinc/70/54/10/938705410.db2.gz	SFTQVZCZTBUOAE-MSOLQXFVSA-N	1	0	355.442	1.413	20	30		FDEDRO
C=CC[C@H](C(=O)N1C[C@@H]([NH2+]CCOC)[C@@H](n2ccnn2)C1)c1ccccc1	ZINC001130132592	938707424	/nfs/dbraw/zinc/70/74/24/938707424.db2.gz	HDAVPZZLINRPKD-OTWHNJEPSA-N	1	0	369.469	1.626	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001130137441	938710454	/nfs/dbraw/zinc/71/04/54/938710454.db2.gz	ZNEHUKPNJQTMQD-IPELMVKDSA-N	1	0	369.444	1.976	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)c(F)c2)C[C@@H]1n1ccnn1	ZINC001130140076	938712127	/nfs/dbraw/zinc/71/21/27/938712127.db2.gz	RFEOQUMTUFYQKQ-AEFFLSMTSA-N	1	0	370.432	1.162	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2ccccc2C)C[C@@H]1n1ccnn1	ZINC001130143062	938714240	/nfs/dbraw/zinc/71/42/40/938714240.db2.gz	MOBMLGPBMJVROV-SXLOBPIMSA-N	1	0	365.481	1.830	20	30		FDEDRO
C=C[C@H](C(=O)N1C[C@@H]([NH2+]CCCOC)[C@@H](n2ccnn2)C1)c1ccccc1	ZINC001130143268	938714412	/nfs/dbraw/zinc/71/44/12/938714412.db2.gz	QRNNNYXKNKPRGV-OTWHNJEPSA-N	1	0	369.469	1.626	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2csc(C3CC3)n2)C[C@@H]1n1ccnn1	ZINC001130153284	938716958	/nfs/dbraw/zinc/71/69/58/938716958.db2.gz	HWDANFFZKIWEPX-HIFRSBDPSA-N	1	0	358.471	1.843	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cnn(C)c2)C[C@@H]1n1ccnn1	ZINC001130161334	938721357	/nfs/dbraw/zinc/72/13/57/938721357.db2.gz	RSJAFXTXRBSJDS-UAGQMJEPSA-N	1	0	357.462	1.123	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccnc2)[nH]1	ZINC001130177774	938725649	/nfs/dbraw/zinc/72/56/49/938725649.db2.gz	UBRSNNOKUDQSGR-HOTGVXAUSA-N	1	0	370.457	1.558	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H]2CCCO2)[nH]1	ZINC001130187727	938733927	/nfs/dbraw/zinc/73/39/27/938733927.db2.gz	GGSUZIFKLXQQCP-KKUMJFAQSA-N	1	0	363.462	1.028	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CSC(C)C)[nH]1	ZINC001130190677	938735822	/nfs/dbraw/zinc/73/58/22/938735822.db2.gz	KAPFINJOQOHCCH-KBPBESRZSA-N	1	0	367.519	1.601	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C=C2CCCCC2)n1	ZINC001130190978	938736526	/nfs/dbraw/zinc/73/65/26/938736526.db2.gz	XIFBCRCGBDRIDX-IRXDYDNUSA-N	1	0	371.485	1.797	20	30		FDEDRO
C=CCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C[C@H](F)CC)[nH]1	ZINC001130193134	938737698	/nfs/dbraw/zinc/73/76/98/938737698.db2.gz	KBMRVEJACRVTEN-RDBSUJKOSA-N	1	0	353.442	1.597	20	30		FDEDRO
C=C(C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC[C@H](C)F)[nH]1	ZINC001130216361	938752691	/nfs/dbraw/zinc/75/26/91/938752691.db2.gz	UQRLHYLXBZQFBQ-KKUMJFAQSA-N	1	0	367.469	1.987	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC#CC)n[nH]1	ZINC001130224777	938759014	/nfs/dbraw/zinc/75/90/14/938759014.db2.gz	BJSIRYNHWZJLQW-GJZGRUSLSA-N	1	0	359.474	1.509	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCC#CC)[nH]1	ZINC001130229791	938763289	/nfs/dbraw/zinc/76/32/89/938763289.db2.gz	GFDADCZNILIZQL-HOTGVXAUSA-N	1	0	357.458	1.100	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@]23C[C@H]2CCCC3)[nH]1	ZINC001130240267	938767218	/nfs/dbraw/zinc/76/72/18/938767218.db2.gz	LFWQSYOVDFAGCS-MMMWYMCRSA-N	1	0	359.474	1.649	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)c2ccco2)[nH]1	ZINC001130238169	938767649	/nfs/dbraw/zinc/76/76/49/938767649.db2.gz	WWGPFJYJQJMXJA-IPYPFGDCSA-N	1	0	359.430	1.466	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)C2CCCC2)[nH]1	ZINC001130246081	938771552	/nfs/dbraw/zinc/77/15/52/938771552.db2.gz	CYAJTMIZOYHYPG-BPUTZDHNSA-N	1	0	361.490	1.895	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CCC=CCC2)[nH]1	ZINC001130249083	938773256	/nfs/dbraw/zinc/77/32/56/938773256.db2.gz	IXFPQWYRGPXYBK-IRXDYDNUSA-N	1	0	371.485	1.653	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccc(OC)c2)[nH]1	ZINC001130251304	938774519	/nfs/dbraw/zinc/77/45/19/938774519.db2.gz	MKFIBFZOMKNFGI-HOTGVXAUSA-N	1	0	371.441	1.391	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@](C)(O)C2CC2)CC1	ZINC001130282324	938779713	/nfs/dbraw/zinc/77/97/13/938779713.db2.gz	SJKGVTGKNOPFTO-UXPWSPDFSA-N	1	0	363.502	1.199	20	30		FDEDRO
C=CCC[C@H](C)[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COCC)CC1	ZINC001130271897	938785617	/nfs/dbraw/zinc/78/56/17/938785617.db2.gz	ZEWFPBGXXHRFOO-VPWXQRGCSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=C(C)CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCCOC)CC1	ZINC001130274652	938787020	/nfs/dbraw/zinc/78/70/20/938787020.db2.gz	XIDMJQBCOMOQQF-XLIONFOSSA-N	1	0	365.518	1.855	20	30		FDEDRO
CC[C@@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC#CCOC)CC1	ZINC001130274606	938787046	/nfs/dbraw/zinc/78/70/46/938787046.db2.gz	VYYONLCJLVFVAR-SUMDDJOVSA-N	1	0	363.502	1.158	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2ccoc2)CC1	ZINC001130285506	938790174	/nfs/dbraw/zinc/79/01/74/938790174.db2.gz	IAZTUFGTTDIOHJ-XLIONFOSSA-N	1	0	357.454	1.321	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)CSC)CC1	ZINC001130285550	938790346	/nfs/dbraw/zinc/79/03/46/938790346.db2.gz	JNUUOBNCIXEUEJ-LESCRADOSA-N	1	0	365.543	1.484	20	30		FDEDRO
COC[C@H](C)[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C#CC(C)C)CC1	ZINC001130290547	938795023	/nfs/dbraw/zinc/79/50/23/938795023.db2.gz	CLFNRFYSBDHQQP-VPWXQRGCSA-N	1	0	363.502	1.156	20	30		FDEDRO
C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3cnc(CC#N)nc3)cc2)CC1	ZINC001170493256	938851412	/nfs/dbraw/zinc/85/14/12/938851412.db2.gz	KBXHSKWAPBYJFL-QQFBHYJXSA-N	1	0	364.453	1.914	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC=CCC2)C[C@H]1c1cn(C)cn1	ZINC001130497905	938882175	/nfs/dbraw/zinc/88/21/75/938882175.db2.gz	KFPNOOIXQOAYLR-JENIJYKNSA-N	1	0	358.486	1.863	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(C)nn2C)C[C@H]1c1cn(C)cn1	ZINC001130511056	938891879	/nfs/dbraw/zinc/89/18/79/938891879.db2.gz	YWNMBLPHQCJRBA-DOTOQJQBSA-N	1	0	356.474	1.626	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@H]2CCCOC2)C1	ZINC001130583494	939883433	/nfs/dbraw/zinc/88/34/33/939883433.db2.gz	CALYVFMFSWMLFY-ZIFCJYIRSA-N	1	0	358.486	1.390	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@@H](C)c2cnccn2)C1	ZINC001130583677	939883993	/nfs/dbraw/zinc/88/39/93/939883993.db2.gz	LSEDAJQQDWGOOE-TXPKVOOTSA-N	1	0	366.469	1.515	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3snnc3C)C2)C1=O	ZINC001086641451	939885283	/nfs/dbraw/zinc/88/52/83/939885283.db2.gz	MQCUXHJNVCDADX-MJBXVCDLSA-N	1	0	363.487	1.122	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2nnc(C)[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130590204	939896436	/nfs/dbraw/zinc/89/64/36/939896436.db2.gz	DWNQNCHKXFSPSW-UKPHBRMFSA-N	1	0	371.489	1.328	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2ccnn2C)C[C@H]1c1cn(C)cn1	ZINC001130596684	939903564	/nfs/dbraw/zinc/90/35/64/939903564.db2.gz	PTYDXDQNPXUJQN-XYJFISCASA-N	1	0	370.501	1.808	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCCC)C1	ZINC001130610314	939907537	/nfs/dbraw/zinc/90/75/37/939907537.db2.gz	IDDZTVVGVVHDTI-SXLOBPIMSA-N	1	0	371.529	1.592	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2cnn(C)c2C)C[C@H]1c1cn(C)cn1	ZINC001130604788	939916019	/nfs/dbraw/zinc/91/60/19/939916019.db2.gz	OAFKRGSHXXSMQY-PKOBYXMFSA-N	1	0	370.501	1.555	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2cnn(C)c2C)C[C@H]1c1cn(C)cn1	ZINC001130605002	939916408	/nfs/dbraw/zinc/91/64/08/939916408.db2.gz	UJNJBNFXYJBQLB-FUHWJXTLSA-N	1	0	356.474	1.165	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@]23CCC[C@H]2OCC3)C[C@H]1c1cn(C)cn1	ZINC001130624172	939921994	/nfs/dbraw/zinc/92/19/94/939921994.db2.gz	NFXCSJFFMLGSRC-MMTROXRISA-N	1	0	356.470	1.287	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCn3nccc32)C[C@H]1c1cn(C)cn1	ZINC001130619476	939930379	/nfs/dbraw/zinc/93/03/79/939930379.db2.gz	SZOGDQFWBNCMKA-XYJFISCASA-N	1	0	366.469	1.102	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnc3ccccn32)C[C@H]1c1cn(C)cn1	ZINC001130621738	939931289	/nfs/dbraw/zinc/93/12/89/939931289.db2.gz	BNUDRQYLTKFGQV-DOTOQJQBSA-N	1	0	362.437	1.289	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(C)nn(C)c2C)C[C@H]1c1cn(C)cn1	ZINC001130635355	939937712	/nfs/dbraw/zinc/93/77/12/939937712.db2.gz	WMVFSXAALWKEJH-DOTOQJQBSA-N	1	0	356.474	1.544	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)on2)C[C@H]1c1cn(C)cn1	ZINC001130637631	939939576	/nfs/dbraw/zinc/93/95/76/939939576.db2.gz	CYGLVXCNSMVSDB-WMLDXEAASA-N	1	0	353.426	1.507	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCn2ccnc2)C[C@H]1c1cn(C)cn1	ZINC001130637840	939939852	/nfs/dbraw/zinc/93/98/52/939939852.db2.gz	OFYACUIPBYAWTG-JENIJYKNSA-N	1	0	370.501	1.946	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(OC)ccn2)C[C@H]1c1cn(C)cn1	ZINC001130639960	939942084	/nfs/dbraw/zinc/94/20/84/939942084.db2.gz	SWCRRPPXNJWNCT-MAUKXSAKSA-N	1	0	355.442	1.598	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cc(C)co2)C[C@H]1c1cn(C)cn1	ZINC001130649461	939944663	/nfs/dbraw/zinc/94/46/63/939944663.db2.gz	MWGCVOBYUGQXSX-DOTOQJQBSA-N	1	0	358.442	1.722	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cncnc2)C[C@H]1c1cn(C)cn1	ZINC001130654552	939948499	/nfs/dbraw/zinc/94/84/99/939948499.db2.gz	LTIZFYRKHYAJSA-VDZJLULYSA-N	1	0	368.485	1.864	20	30		FDEDRO
C=C/C(C)=C\CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#CCOC)C1	ZINC001130646813	939955058	/nfs/dbraw/zinc/95/50/58/939955058.db2.gz	KSGANODRXZPNPN-BYDNTSKGSA-N	1	0	356.470	1.476	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C(C)C)C[C@H]1c1cn(C)cn1	ZINC001130647279	939955667	/nfs/dbraw/zinc/95/56/67/939955667.db2.gz	YXDKNMXBFXPTKQ-UAGQMJEPSA-N	1	0	352.454	1.501	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cncn2C)C1	ZINC001130664296	939957370	/nfs/dbraw/zinc/95/73/70/939957370.db2.gz	MFQCLZWSPFNSPE-FUHWJXTLSA-N	1	0	356.474	1.594	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2nccnc2C)C1	ZINC001130664515	939957452	/nfs/dbraw/zinc/95/74/52/939957452.db2.gz	SNYUEIXOQBZVLN-QFBILLFUSA-N	1	0	368.485	1.959	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOCC(F)F)C1	ZINC001130664708	939957830	/nfs/dbraw/zinc/95/78/30/939957830.db2.gz	YQGGHGWKZBUCNE-GOEBONIOSA-N	1	0	370.444	1.942	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCn2cccn2)C1	ZINC001130656652	939960933	/nfs/dbraw/zinc/96/09/33/939960933.db2.gz	NURCKURBACFZKL-ZIFCJYIRSA-N	1	0	370.501	1.803	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(=O)NCC)C1	ZINC001130662079	939967469	/nfs/dbraw/zinc/96/74/69/939967469.db2.gz	JWGZGDHFIUVVMB-ZSZQSSIHSA-N	1	0	361.490	1.043	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1c1cn(C)cn1	ZINC001130675593	939973434	/nfs/dbraw/zinc/97/34/34/939973434.db2.gz	XFSXIYGLPAUFHB-QILLFSRXSA-N	1	0	371.489	1.410	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2ccnc(OC)c2)C[C@H]1c1cn(C)cn1	ZINC001130677981	939974252	/nfs/dbraw/zinc/97/42/52/939974252.db2.gz	KSYRNKKNYNWNEF-FUHWJXTLSA-N	1	0	369.469	1.527	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn(C(C)C)nn2)C[C@H]1c1cn(C)cn1	ZINC001130703914	939984456	/nfs/dbraw/zinc/98/44/56/939984456.db2.gz	ANSMNOPBWRBBRZ-GOEBONIOSA-N	1	0	357.462	1.366	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]cc2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130704102	939984761	/nfs/dbraw/zinc/98/47/61/939984761.db2.gz	DMDHSKWDSMHNKB-PKOBYXMFSA-N	1	0	351.454	1.847	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]cc2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130704549	939985464	/nfs/dbraw/zinc/98/54/64/939985464.db2.gz	TVTGYZTVULQBAG-PKOBYXMFSA-N	1	0	351.454	1.847	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn(C(C)C)c2C)C[C@H]1c1cn(C)cn1	ZINC001130708464	940014450	/nfs/dbraw/zinc/01/44/50/940014450.db2.gz	RKCGBYCLMUBJIW-PKOBYXMFSA-N	1	0	368.485	1.727	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2nccs2)C[C@H]1c1cn(C)cn1	ZINC001130729250	940017833	/nfs/dbraw/zinc/01/78/33/940017833.db2.gz	YDHVBMXSTAIYHV-GOEBONIOSA-N	1	0	357.483	1.417	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COc2ccc(C)cc2)C[C@H]1c1cn(C)cn1	ZINC001130723808	940029090	/nfs/dbraw/zinc/02/90/90/940029090.db2.gz	ZKYYGQPFMCZRBQ-AZUAARDMSA-N	1	0	366.465	1.715	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(C)nc2)C[C@H]1c1cn(C)cn1	ZINC001130726365	940031516	/nfs/dbraw/zinc/03/15/16/940031516.db2.gz	UZXZGTBAAQIEGP-PKOBYXMFSA-N	1	0	353.470	1.826	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130734268	940034484	/nfs/dbraw/zinc/03/44/84/940034484.db2.gz	LNFSQCCMTWUKBA-VDZJLULYSA-N	1	0	358.486	1.390	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2csc(CC)n2)C[C@H]1c1cn(C)cn1	ZINC001130736472	940037357	/nfs/dbraw/zinc/03/73/57/940037357.db2.gz	GIMFKBGUQGHGRS-DOTOQJQBSA-N	1	0	371.510	1.589	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCC[C@H](C)O)C1	ZINC001130741411	940044490	/nfs/dbraw/zinc/04/44/90/940044490.db2.gz	ACTRBKYIVDCPAZ-XYJFISCASA-N	1	0	364.490	1.058	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccccc3F)n2)O1	ZINC001130746613	940051749	/nfs/dbraw/zinc/05/17/49/940051749.db2.gz	HFJZVLHQYGPPSS-XJKSGUPXSA-N	1	0	371.416	1.707	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccccc3F)n2)O1	ZINC001130747218	940052198	/nfs/dbraw/zinc/05/21/98/940052198.db2.gz	SRGXYWFVIDNNMK-SWLSCSKDSA-N	1	0	359.405	1.870	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cnccn3)n2)O1	ZINC001130749320	940055367	/nfs/dbraw/zinc/05/53/67/940055367.db2.gz	FEUKIWAXTAPTEQ-DZGCQCFKSA-N	1	0	371.445	1.301	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)n(C(C)C)n2)C[C@H]1c1cn(C)cn1	ZINC001130749757	940057304	/nfs/dbraw/zinc/05/73/04/940057304.db2.gz	QEYUHEKXYZYWNV-QFBILLFUSA-N	1	0	368.485	1.727	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccon3)n2)O1	ZINC001130761628	940067524	/nfs/dbraw/zinc/06/75/24/940067524.db2.gz	DTGBUILCJPCDIZ-GXTWGEPZSA-N	1	0	360.418	1.499	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCOC(C)C)n2)O1	ZINC001130758100	940083346	/nfs/dbraw/zinc/08/33/46/940083346.db2.gz	QJQIXNAMULZIKY-LSDHHAIUSA-N	1	0	365.478	1.622	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3oc(C)cc3C)n2)O1	ZINC001130775501	940093731	/nfs/dbraw/zinc/09/37/31/940093731.db2.gz	YOSYAXDPFNYEJS-UONOGXRCSA-N	1	0	359.430	1.940	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCOCC)n2)O1	ZINC001130765197	940095093	/nfs/dbraw/zinc/09/50/93/940095093.db2.gz	GVLQJXXWDIOKPY-LSDHHAIUSA-N	1	0	365.478	1.623	20	30		FDEDRO
C=CCOCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCC3CC3)O2)n[nH]1	ZINC001130767180	940100123	/nfs/dbraw/zinc/10/01/23/940100123.db2.gz	BIJACQRDJCYGOV-LSDHHAIUSA-N	1	0	363.462	1.233	20	30		FDEDRO
CC(C)CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)C#N)n2)O1	ZINC001130770191	940108207	/nfs/dbraw/zinc/10/82/07/940108207.db2.gz	WZJQNESUKWZUEK-SOUVJXGZSA-N	1	0	362.478	1.826	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)n2)O1	ZINC001130772379	940112345	/nfs/dbraw/zinc/11/23/45/940112345.db2.gz	JWZGXUNPDBXFRO-DEQQHWRFSA-N	1	0	357.458	1.300	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)n2)O1	ZINC001130772686	940113468	/nfs/dbraw/zinc/11/34/68/940113468.db2.gz	XPSYKIPQZFLNPK-ZNFSNMQZSA-N	1	0	371.485	1.690	20	30		FDEDRO
C#CCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+][C@H](C)COC)O2)n[nH]1	ZINC001130778070	940130917	/nfs/dbraw/zinc/13/09/17/940130917.db2.gz	DFOKOSSXIOEIHQ-QLFBSQMISA-N	1	0	363.462	1.069	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3c[nH]nc3C)n2)O1	ZINC001130793868	940144072	/nfs/dbraw/zinc/14/40/72/940144072.db2.gz	DCIKHOFCOBOTDQ-GXTWGEPZSA-N	1	0	359.434	1.152	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(F)c[nH]3)n2)O1	ZINC001130794344	940146282	/nfs/dbraw/zinc/14/62/82/940146282.db2.gz	SYKNRGQUPLVNAS-GXTWGEPZSA-N	1	0	362.409	1.588	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@]3(C)CC=CCC3)n2)O1	ZINC001130787192	940154756	/nfs/dbraw/zinc/15/47/56/940154756.db2.gz	DGPXNCUXQARZIT-QMTMVMCOSA-N	1	0	357.458	1.610	20	30		FDEDRO
C=C(C)CCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+][C@H](C)COC)O2)n[nH]1	ZINC001130787568	940157346	/nfs/dbraw/zinc/15/73/46/940157346.db2.gz	YWWJHPSTELUSBL-QLFBSQMISA-N	1	0	365.478	1.622	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3COCCO3)C2)cc1F	ZINC001086647292	940178498	/nfs/dbraw/zinc/17/84/98/940178498.db2.gz	ICNZGOXZDKKBAK-FDQGKXFDSA-N	1	0	361.417	1.487	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(CF)CCC3)n2)O1	ZINC001130806946	940181772	/nfs/dbraw/zinc/18/17/72/940181772.db2.gz	NNOPCRNITKKRGR-UONOGXRCSA-N	1	0	365.453	1.947	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C)[nH]c3C)n2)O1	ZINC001130809328	940187178	/nfs/dbraw/zinc/18/71/78/940187178.db2.gz	RMIRKBMWOFVVMY-DZGCQCFKSA-N	1	0	356.430	1.123	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc(C(C)(C)O)c1	ZINC000807004349	940188512	/nfs/dbraw/zinc/18/85/12/940188512.db2.gz	LJIJFAXFMHDEPR-UHFFFAOYSA-N	1	0	360.458	1.546	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C(C)C)O2)n[nH]1	ZINC001130822845	940203224	/nfs/dbraw/zinc/20/32/24/940203224.db2.gz	NDRZHMHGGKXVKE-MELADBBJSA-N	1	0	351.451	1.230	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccncn3)n2)O1	ZINC001130811868	940205858	/nfs/dbraw/zinc/20/58/58/940205858.db2.gz	PLZWWTPBWWJFRL-DZGCQCFKSA-N	1	0	371.445	1.301	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@]3(C)CCCOC3)n2)O1	ZINC001130816150	940218399	/nfs/dbraw/zinc/21/83/99/940218399.db2.gz	MOQKYKXVSHUBBX-PMUMKWKESA-N	1	0	363.462	1.233	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2C=CCC2)C[C@H]1c1cncn1C	ZINC001130906048	940312885	/nfs/dbraw/zinc/31/28/85/940312885.db2.gz	JEECEFFWZBECQX-KZNAEPCWSA-N	1	0	358.486	1.863	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CSC(C)C)C[C@H]1c1cncn1C	ZINC001130920609	940330519	/nfs/dbraw/zinc/33/05/19/940330519.db2.gz	AIIQMWWXTICOJN-HZPDHXFCSA-N	1	0	366.531	1.648	20	30		FDEDRO
CC[C@@H](F)C[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@H]1c1cncn1C	ZINC001130920903	940330738	/nfs/dbraw/zinc/33/07/38/940330738.db2.gz	MNOHORKUFWFTEP-MGPQQGTHSA-N	1	0	353.467	1.309	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2C)C[C@H]1c1cncn1C	ZINC001130935699	940331440	/nfs/dbraw/zinc/33/14/40/940331440.db2.gz	HNPNJOCCTIZFER-IAGOWNOFSA-N	1	0	356.474	1.626	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@@H]2CCOC2)C1	ZINC001130967184	940389982	/nfs/dbraw/zinc/38/99/82/940389982.db2.gz	PCWAZBCWGCKAFW-RCCFBDPRSA-N	1	0	358.486	1.534	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOCC(C)C)C1	ZINC001130991482	940413987	/nfs/dbraw/zinc/41/39/87/940413987.db2.gz	NFBCTBTWHLVEGF-QZTJIDSGSA-N	1	0	360.502	1.636	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOC2CCC2)C1	ZINC001130991578	940414525	/nfs/dbraw/zinc/41/45/25/940414525.db2.gz	SBSJOYCRRAXDNL-QZTJIDSGSA-N	1	0	358.486	1.533	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ncc(OC)cc2F)C[C@H]1c1cncn1C	ZINC001131005948	940431916	/nfs/dbraw/zinc/43/19/16/940431916.db2.gz	DRDUFSGHDFPYIL-GDBMZVCRSA-N	1	0	371.416	1.184	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCC2CCOCC2)C[C@H]1c1cncn1C	ZINC001131006076	940432289	/nfs/dbraw/zinc/43/22/89/940432289.db2.gz	KJKZFFTTZWQOIH-QZTJIDSGSA-N	1	0	358.486	1.534	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]C[C@H](C)OC)C2)CCC1	ZINC001131007734	940434162	/nfs/dbraw/zinc/43/41/62/940434162.db2.gz	IQRVSFCGFJLZMD-GVDBMIGSSA-N	1	0	358.486	1.533	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCO1	ZINC000807669553	940439525	/nfs/dbraw/zinc/43/95/25/940439525.db2.gz	YUKASSIIXQRETL-MSOLQXFVSA-N	1	0	361.486	1.197	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC=C)C2)CCOCC1	ZINC001131010298	940441145	/nfs/dbraw/zinc/44/11/45/940441145.db2.gz	IITJPTSOFFQRMR-IAGOWNOFSA-N	1	0	356.470	1.310	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)c(F)c2)C[C@H]1c1cncn1C	ZINC001131010697	940441771	/nfs/dbraw/zinc/44/17/71/940441771.db2.gz	ZATQFFRYEMNZKS-NVXWUHKLSA-N	1	0	370.428	1.789	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cn(C)ccc2=O)C[C@H]1c1cncn1C	ZINC001131028878	940463584	/nfs/dbraw/zinc/46/35/84/940463584.db2.gz	NPPAKATVQBSILW-NVXWUHKLSA-N	1	0	369.469	1.283	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2cncc(C)c2)C[C@H]1c1cncn1C	ZINC001131029074	940463990	/nfs/dbraw/zinc/46/39/90/940463990.db2.gz	ZGUQLKPUJGMKHJ-RTBURBONSA-N	1	0	365.481	1.664	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCOC3)C2)cc1C#N	ZINC001086654658	940464653	/nfs/dbraw/zinc/46/46/53/940464653.db2.gz	UXYLRFXKNVVNJC-LZLYRXPVSA-N	1	0	357.454	1.978	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCCF)C2)cc1	ZINC001131040007	940467917	/nfs/dbraw/zinc/46/79/17/940467917.db2.gz	HBSRFAPDFLGJMN-QZTJIDSGSA-N	1	0	354.429	1.959	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(OCC)no2)C[C@H]1c1cncn1C	ZINC001131033472	940470194	/nfs/dbraw/zinc/47/01/94/940470194.db2.gz	PWOGSCGCUOKOTM-ZIAGYGMSSA-N	1	0	359.430	1.581	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCOC)C1	ZINC001131044240	940473144	/nfs/dbraw/zinc/47/31/44/940473144.db2.gz	UXVLCVVFGTXQCE-QZTJIDSGSA-N	1	0	360.502	1.924	20	30		FDEDRO
C=C/C(C)=C/CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CCOC)C1	ZINC001131046312	940475459	/nfs/dbraw/zinc/47/54/59/940475459.db2.gz	LJOAIXOKWSTETE-ACHCSXDHSA-N	1	0	356.470	1.476	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc(F)c2F)C[C@H]1c1cncn1C	ZINC001131059819	940478793	/nfs/dbraw/zinc/47/87/93/940478793.db2.gz	KFAYVGUENFZKQQ-GDBMZVCRSA-N	1	0	358.392	1.919	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCOCC)C1	ZINC001131051489	940480099	/nfs/dbraw/zinc/48/00/99/940480099.db2.gz	NEYKEPCRDYAAJN-QZTJIDSGSA-N	1	0	360.502	1.924	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnc3n2CCCC3)C[C@H]1c1cncn1C	ZINC001131054287	940481008	/nfs/dbraw/zinc/48/10/08/940481008.db2.gz	XSDODJVXJTVSSW-HZPDHXFCSA-N	1	0	366.469	1.174	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@H]1c1cncn1C	ZINC001131055747	940481843	/nfs/dbraw/zinc/48/18/43/940481843.db2.gz	KPZJRXXGRGPJPP-IIDMSEBBSA-N	1	0	350.438	1.399	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2ccc(=O)[nH]c2)C[C@H]1c1cncn1C	ZINC001131055915	940481947	/nfs/dbraw/zinc/48/19/47/940481947.db2.gz	SEFPNIHWDHIFOX-IAGOWNOFSA-N	1	0	369.469	1.614	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cc2C)C[C@H]1c1cncn1C	ZINC001131068014	940483266	/nfs/dbraw/zinc/48/32/66/940483266.db2.gz	HWGCUPQAZVEDAE-HZPDHXFCSA-N	1	0	353.426	1.050	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1c1cncn1C	ZINC001131070455	940484649	/nfs/dbraw/zinc/48/46/49/940484649.db2.gz	WBDCFNXLSGUCFY-CZUORRHYSA-N	1	0	370.457	1.011	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2cccnc2)C[C@H]1c1cncn1C	ZINC001131072197	940485093	/nfs/dbraw/zinc/48/50/93/940485093.db2.gz	MZBWFOZOHDKVAP-KBAYOESNSA-N	1	0	367.453	1.190	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CC(F)(F)C(F)F)C[C@H]1c1cncn1C	ZINC001131072307	940485361	/nfs/dbraw/zinc/48/53/61/940485361.db2.gz	RYLDQAZVTZJTCV-VXGBXAGGSA-N	1	0	360.355	1.618	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)CCO3)C[C@H]1c1cncn1C	ZINC001131075942	940491062	/nfs/dbraw/zinc/49/10/62/940491062.db2.gz	AFRZVEICGSJEGT-QZTJIDSGSA-N	1	0	364.449	1.576	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(CCCCC)n[nH]2)C[C@H]1c1cncn1C	ZINC001131089465	940494730	/nfs/dbraw/zinc/49/47/30/940494730.db2.gz	ISGPJELOYKMBQT-SJLPKXTDSA-N	1	0	368.485	1.707	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2ncccn2)C[C@H]1c1cncn1C	ZINC001131092063	940495952	/nfs/dbraw/zinc/49/59/52/940495952.db2.gz	ZJEUMANOGOANBS-IAGOWNOFSA-N	1	0	368.485	1.693	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)Cc2ccco2)C[C@H]1c1cncn1C	ZINC001131096940	940497479	/nfs/dbraw/zinc/49/74/79/940497479.db2.gz	RNPVWMYLVQGTRB-IAGOWNOFSA-N	1	0	358.442	1.342	20	30		FDEDRO
COc1ccc(CNC(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1C#N	ZINC000747435997	940497857	/nfs/dbraw/zinc/49/78/57/940497857.db2.gz	VQZTYVSXVUAKGV-UHFFFAOYSA-N	1	0	372.469	1.821	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn3c2CCCC3)C[C@H]1c1cncn1C	ZINC001131103335	940500880	/nfs/dbraw/zinc/50/08/80/940500880.db2.gz	DYLCCBJPXVYMNJ-IAGOWNOFSA-N	1	0	366.469	1.174	20	30		FDEDRO
S=C(NN=Cc1cnccn1)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000807948612	940500903	/nfs/dbraw/zinc/50/09/03/940500903.db2.gz	NMVMUFOHKVDRKA-UHFFFAOYSA-N	1	0	354.483	1.939	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2coc(C3CCC3)n2)C[C@H]1c1cncn1C	ZINC001131106111	940501881	/nfs/dbraw/zinc/50/18/81/940501881.db2.gz	PRHOOMKFEQOVJD-HZPDHXFCSA-N	1	0	367.453	1.897	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2[nH]cnc2CC)C[C@H]1c1cncn1C	ZINC001131119477	940505263	/nfs/dbraw/zinc/50/52/63/940505263.db2.gz	FCRWEKPCHJXOIR-GDBMZVCRSA-N	1	0	356.474	1.870	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3ccccc32)C[C@H]1c1cncn1C	ZINC001131119615	940505489	/nfs/dbraw/zinc/50/54/89/940505489.db2.gz	MXGZROKYXNBWLC-NVXWUHKLSA-N	1	0	362.437	1.518	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(C)nc2)C[C@H]1c1cncn1C	ZINC001131123534	940507279	/nfs/dbraw/zinc/50/72/79/940507279.db2.gz	KCGJWIWQUZHZDA-QZTJIDSGSA-N	1	0	353.470	1.826	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(C)nn(C)c2F)C[C@H]1c1cncn1C	ZINC001131115319	940508771	/nfs/dbraw/zinc/50/87/71/940508771.db2.gz	KMDJEBJLDHTHLP-ZIAGYGMSSA-N	1	0	360.437	1.375	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCn2cc(C)cn2)C[C@H]1c1cncn1C	ZINC001131127753	940509676	/nfs/dbraw/zinc/50/96/76/940509676.db2.gz	AVYADPRXDMPEHN-IAGOWNOFSA-N	1	0	356.474	1.475	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C/C=C\Cl)C1	ZINC001131132177	940512271	/nfs/dbraw/zinc/51/22/71/940512271.db2.gz	BAUUZAUNVGPBFJ-CWCORTEISA-N	1	0	352.866	1.648	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCCCCOCC)C[C@H]1c1cncn1C	ZINC001131132252	940512371	/nfs/dbraw/zinc/51/23/71/940512371.db2.gz	FZFBJMKGNJQDQK-QZTJIDSGSA-N	1	0	360.502	1.924	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@H](F)CC)C1	ZINC001131132793	940512616	/nfs/dbraw/zinc/51/26/16/940512616.db2.gz	RSLMHVFHYPKNFP-BZUAXINKSA-N	1	0	352.454	1.645	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)C[C@H]1c1cncn1C	ZINC001131136382	940513494	/nfs/dbraw/zinc/51/34/94/940513494.db2.gz	KQFYHCWAFUUZSL-BFYDXBDKSA-N	1	0	361.490	1.041	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ncccc2OCC)C[C@H]1c1cncn1C	ZINC001131136583	940513592	/nfs/dbraw/zinc/51/35/92/940513592.db2.gz	URLYZEJVQXXCHT-HZPDHXFCSA-N	1	0	367.453	1.435	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1	ZINC001086659765	940517647	/nfs/dbraw/zinc/51/76/47/940517647.db2.gz	KPQKRAUREXGMFW-USXIJHARSA-N	1	0	370.453	1.220	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCSC)C1	ZINC001131301331	940547144	/nfs/dbraw/zinc/54/71/44/940547144.db2.gz	RTBJJFGJKQTLFE-XHSDSOJGSA-N	1	0	367.515	1.812	20	30		FDEDRO
CCCCCCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001131354047	940556167	/nfs/dbraw/zinc/55/61/67/940556167.db2.gz	NVHFCHOKUFKNAI-HZPDHXFCSA-N	1	0	368.478	1.273	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(=O)NCC[N@@H+](CC/C=C\CC)CC1	ZINC001131383502	940559524	/nfs/dbraw/zinc/55/95/24/940559524.db2.gz	KTTQRSCVSCAOBV-WIJVFFIESA-N	1	0	363.502	1.584	20	30		FDEDRO
CCC(CC)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NCC#N)CC1	ZINC001131427381	940567001	/nfs/dbraw/zinc/56/70/01/940567001.db2.gz	YOWYYBGIGMRWKT-AEFFLSMTSA-N	1	0	364.490	1.048	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)NC(C)=O)CC1	ZINC001131416560	940567634	/nfs/dbraw/zinc/56/76/34/940567634.db2.gz	LCOPTPTUSNJIEA-OLMNPRSZSA-N	1	0	351.491	1.463	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H]2C=CCC2)CC1	ZINC001131417199	940567829	/nfs/dbraw/zinc/56/78/29/940567829.db2.gz	ZLBOZSADLJHCLI-QFUCXCTJSA-N	1	0	360.498	1.978	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCOC(C)C)CC1	ZINC001131431899	940595234	/nfs/dbraw/zinc/59/52/34/940595234.db2.gz	UKLNWVGHKBWDFH-QUCCMNQESA-N	1	0	368.518	1.990	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1)c1nnnn1C1CC1	ZINC001086669118	940596825	/nfs/dbraw/zinc/59/68/25/940596825.db2.gz	PPCQLXROCXPWMI-MBNYWOFBSA-N	1	0	368.445	1.457	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(-c3noc([C@@H](N)CCCC#N)n3)cn2)CC1	ZINC000822957035	945334212	/nfs/dbraw/zinc/33/42/12/945334212.db2.gz	VDUIQMPUTNNBMS-HNNXBMFYSA-N	1	0	355.446	1.967	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1	ZINC001131461447	940611578	/nfs/dbraw/zinc/61/15/78/940611578.db2.gz	LNAPUWJILQHCDG-QYZOEREBSA-N	1	0	365.518	1.269	20	30		FDEDRO
C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H]2CCOC2)CC1	ZINC001131464668	940622694	/nfs/dbraw/zinc/62/26/94/940622694.db2.gz	ZKFWAOYOPKTXON-SUMDDJOVSA-N	1	0	352.475	1.211	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC(=O)NCC)CC1	ZINC001131478502	940634305	/nfs/dbraw/zinc/63/43/05/940634305.db2.gz	BDVZXLGQICBGBG-APWZRJJASA-N	1	0	351.491	1.465	20	30		FDEDRO
C#CCOCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCC[C@@H](C)O)CC1	ZINC001131498757	940649288	/nfs/dbraw/zinc/64/92/88/940649288.db2.gz	LWHBZMQQVNSIBG-POAQFYNOSA-N	1	0	366.502	1.173	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c(F)cncc2F)CC1	ZINC001131506493	940668273	/nfs/dbraw/zinc/66/82/73/940668273.db2.gz	BBNUFAIVRFHYDS-AEFFLSMTSA-N	1	0	363.408	1.982	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c(C3CC3)cnn2C)CC1	ZINC001131515481	940680470	/nfs/dbraw/zinc/68/04/70/940680470.db2.gz	MZKAQJINHKLGIA-QUCCMNQESA-N	1	0	370.497	1.920	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(OC)nc2)CC1	ZINC001131528325	940698056	/nfs/dbraw/zinc/69/80/56/940698056.db2.gz	RKQYTVYHRDNTTP-MJGOQNOKSA-N	1	0	357.454	1.713	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2cc(C)nn2C)CC1	ZINC001131533432	940703948	/nfs/dbraw/zinc/70/39/48/940703948.db2.gz	DLJKOTYUIQQGLJ-QUCCMNQESA-N	1	0	358.486	1.280	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCCNC(N)=O)CC1	ZINC001131526396	940711037	/nfs/dbraw/zinc/71/10/37/940711037.db2.gz	QEPFGGWSUFIZQE-AEFFLSMTSA-N	1	0	366.506	1.387	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCNC(=O)CC2)CC1	ZINC001131536144	940725229	/nfs/dbraw/zinc/72/52/29/940725229.db2.gz	VCDQEWUSIOTYBK-LMMKCTJWSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(=O)NC)CC1	ZINC001131538639	940726656	/nfs/dbraw/zinc/72/66/56/940726656.db2.gz	QOSRTCXYEYSOJO-UAGQMJEPSA-N	1	0	365.518	1.709	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)CC)CC1	ZINC001131552618	940729010	/nfs/dbraw/zinc/72/90/10/940729010.db2.gz	YOPHJXIWRYUKRY-AEFFLSMTSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NCC)CC1	ZINC001131558382	940732739	/nfs/dbraw/zinc/73/27/39/940732739.db2.gz	YGAIBLRRYGEAPO-IMFGXOCKSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2n[nH]cc2F)CC1	ZINC001131558227	940732786	/nfs/dbraw/zinc/73/27/86/940732786.db2.gz	NWAQCVOZHQSPQB-WBVHZDCISA-N	1	0	366.437	1.351	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](COC)OC)CC1	ZINC001131560022	940734292	/nfs/dbraw/zinc/73/42/92/940734292.db2.gz	SNDOGOHPTNWGEZ-SQNIBIBYSA-N	1	0	354.491	1.600	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N(C)C)CC1	ZINC001131550236	940739048	/nfs/dbraw/zinc/73/90/48/940739048.db2.gz	PADUMVYZCABWKF-WDYCEAGBSA-N	1	0	365.518	1.663	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2Cc3ccncc3C2)CC1	ZINC001131570424	940746148	/nfs/dbraw/zinc/74/61/48/940746148.db2.gz	GDVZRNWTCKKQNB-NRSPTQNISA-N	1	0	367.493	1.805	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnc(OC)nc2)CC1	ZINC001131588155	940757789	/nfs/dbraw/zinc/75/77/89/940757789.db2.gz	UMWUQOGABPKUOJ-SJORKVTESA-N	1	0	358.442	1.108	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(OC)nn2)CC1	ZINC001131590557	940760253	/nfs/dbraw/zinc/76/02/53/940760253.db2.gz	JGRGERYNQZRNDH-QAPCUYQASA-N	1	0	358.442	1.108	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H]2CCC(=O)N2)CC1	ZINC001131580474	940766870	/nfs/dbraw/zinc/76/68/70/940766870.db2.gz	SJAHEUWPBJNDDE-QKLQHJQFSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCn2cnnn2)CC1	ZINC001131583196	940769513	/nfs/dbraw/zinc/76/95/13/940769513.db2.gz	VAYYEJBWBQURAP-AEFFLSMTSA-N	1	0	362.478	1.015	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2ccc[nH]2)CC1	ZINC001131606905	940772764	/nfs/dbraw/zinc/77/27/64/940772764.db2.gz	MDXMGEHNCCPCJY-QUCCMNQESA-N	1	0	359.470	1.193	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOC)CC1	ZINC001131600156	940783950	/nfs/dbraw/zinc/78/39/50/940783950.db2.gz	YXIOMHDXWFWKEN-IRLDBZIGSA-N	1	0	370.493	1.843	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2cncn2)CC1	ZINC001131601313	940784874	/nfs/dbraw/zinc/78/48/74/940784874.db2.gz	AUPXQJIVLNKDTH-SUMDDJOVSA-N	1	0	361.490	1.619	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[C@@]2(C)CCC(=O)N2)CC1	ZINC001131614967	940793756	/nfs/dbraw/zinc/79/37/56/940793756.db2.gz	BZTVLOQENMOAHY-LSTHTHJFSA-N	1	0	363.502	1.607	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)cc1C#N	ZINC000809501831	940844979	/nfs/dbraw/zinc/84/49/79/940844979.db2.gz	VBXZYWHEBBMICY-UHFFFAOYSA-N	1	0	372.469	1.373	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1C#N	ZINC000809504561	940846618	/nfs/dbraw/zinc/84/66/18/940846618.db2.gz	ZYISUFBJURXLLU-CABCVRRESA-N	1	0	372.469	1.420	20	30		FDEDRO
CC(C)(C)N1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1=O	ZINC001086676302	940933145	/nfs/dbraw/zinc/93/31/45/940933145.db2.gz	QRSDOSPSXFHTEB-VBQJREDUSA-N	1	0	371.485	1.774	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1=O	ZINC001086676326	940933487	/nfs/dbraw/zinc/93/34/87/940933487.db2.gz	SSCAHYKWFHMXQF-JJRVBVJISA-N	1	0	355.442	1.161	20	30		FDEDRO
Cn1cc(Cl)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1	ZINC001086676750	940949163	/nfs/dbraw/zinc/94/91/63/940949163.db2.gz	SSAHAVFCNKFSCG-WCQYABFASA-N	1	0	360.849	1.962	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1)C(=O)N1CCCCC1	ZINC001086676953	940953503	/nfs/dbraw/zinc/95/35/03/940953503.db2.gz	CCEBHNOQUFSWNQ-HLLBOEOZSA-N	1	0	371.485	1.775	20	30		FDEDRO
CCn1nncc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1	ZINC001086690461	941099706	/nfs/dbraw/zinc/09/97/06/941099706.db2.gz	MVHMRSTZKOGCRK-GOEBONIOSA-N	1	0	370.432	1.997	20	30		FDEDRO
C#C[C@@H](C)N(C)C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000811995116	941176981	/nfs/dbraw/zinc/17/69/81/941176981.db2.gz	LMUJBFAEFPZMNR-QGZVFWFLSA-N	1	0	358.486	1.870	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1ccc(N2CCCNC2=O)cc1	ZINC000812903501	941290868	/nfs/dbraw/zinc/29/08/68/941290868.db2.gz	TXUKUAIEXGZXDS-AWEZNQCLSA-N	1	0	355.442	1.819	20	30		FDEDRO
CN1C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)CC1=O	ZINC001086710825	941360428	/nfs/dbraw/zinc/36/04/28/941360428.db2.gz	MSCKHVGVQSLOMI-BFHYXJOUSA-N	1	0	360.483	1.473	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)Nc1ccc(Cl)cc1	ZINC001134053058	941529877	/nfs/dbraw/zinc/52/98/77/941529877.db2.gz	LVKNTYHSJCICAS-WQVCFCJDSA-N	1	0	365.861	1.964	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]C[C@H]1CCN(C(=O)c2ccccc2)C1	ZINC001134052783	941539581	/nfs/dbraw/zinc/53/95/81/941539581.db2.gz	BGLXXMVRNMSJCG-QRQLOZEOSA-N	1	0	371.481	1.446	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)Nc1cc(C)cc(C)c1	ZINC001134061924	941540451	/nfs/dbraw/zinc/54/04/51/941540451.db2.gz	JXRMCNIHGYEWFL-NXHRZFHOSA-N	1	0	359.470	1.927	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C1CCCCC1	ZINC001134062068	941540829	/nfs/dbraw/zinc/54/08/29/941540829.db2.gz	QADCQRKIDWBGOY-UAGQMJEPSA-N	1	0	351.491	1.463	20	30		FDEDRO
Cn1cc([C@@H]2C[C@H]2C(=O)NCC[NH2+]CC#Cc2cccc(Cl)c2)cn1	ZINC001134121282	941572688	/nfs/dbraw/zinc/57/26/88/941572688.db2.gz	VMTSFSSVPQIMMG-ZWKOTPCHSA-N	1	0	356.857	1.935	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnc(C3CC3)[nH]2)C1	ZINC001086720782	941619830	/nfs/dbraw/zinc/61/98/30/941619830.db2.gz	NZFWKANFSQDZAO-UAGQMJEPSA-N	1	0	370.501	1.154	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@H](O)COc2ccccc2Cl)CC1	ZINC000747969041	941708372	/nfs/dbraw/zinc/70/83/72/941708372.db2.gz	NJTNTCROMITLKA-HNNXBMFYSA-N	1	0	350.846	1.541	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC1	ZINC000747979221	941726017	/nfs/dbraw/zinc/72/60/17/941726017.db2.gz	FFJQCCXIOXAGMV-GOSISDBHSA-N	1	0	374.460	1.599	20	30		FDEDRO
C#CC[N@@H+](C)CCCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-]	ZINC000814930100	941740671	/nfs/dbraw/zinc/74/06/71/941740671.db2.gz	UQLZGUIQAYVMMG-UHFFFAOYSA-N	1	0	355.398	1.926	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O	ZINC000815082347	941777317	/nfs/dbraw/zinc/77/73/17/941777317.db2.gz	LUPVSSBTNJXGSC-UHFFFAOYSA-N	1	0	363.483	1.219	20	30		FDEDRO
C#CCNC(=O)CC[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1	ZINC000815086339	941778981	/nfs/dbraw/zinc/77/89/81/941778981.db2.gz	IDDOQNYIGLSWHP-INIZCTEOSA-N	1	0	371.485	1.857	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCCC[C@@H]1C	ZINC001135058578	941874168	/nfs/dbraw/zinc/87/41/68/941874168.db2.gz	WYJCUBKTWWNXQM-BQFCYCMXSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N(C)[C@H](C)CC(C)C	ZINC001135067580	941883223	/nfs/dbraw/zinc/88/32/23/941883223.db2.gz	BUFODVLMIRDBRY-AOIWGVFYSA-N	1	0	367.534	1.957	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)COc1ccccc1C	ZINC001135145387	941929165	/nfs/dbraw/zinc/92/91/65/941929165.db2.gz	GIUZHWCPASCFEM-LNLFQRSKSA-N	1	0	362.470	1.422	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccc(C)c(C)c1	ZINC001135147228	941942250	/nfs/dbraw/zinc/94/22/50/941942250.db2.gz	FHHUUXJKAAKTPE-HKUYNNGSSA-N	1	0	359.470	1.929	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1c(F)cccc1-n1cccn1	ZINC000815860519	941996144	/nfs/dbraw/zinc/99/61/44/941996144.db2.gz	OZUNKELIFWNFFB-UHFFFAOYSA-N	1	0	357.389	1.021	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(NC(=O)NCC=C)cc1	ZINC000815860386	941996174	/nfs/dbraw/zinc/99/61/74/941996174.db2.gz	IXIBWBPFZYIKFX-UHFFFAOYSA-N	1	0	371.441	1.004	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccccc1OCC(F)F	ZINC000815861692	941996989	/nfs/dbraw/zinc/99/69/89/941996989.db2.gz	VHZQHNXMKUFNPR-UHFFFAOYSA-N	1	0	353.369	1.340	20	30		FDEDRO
C[NH+](C)CCn1ncc(C(=O)N[C@@H]2CCCN(O)C2=O)c1-c1ccccc1	ZINC000816757420	942336767	/nfs/dbraw/zinc/33/67/67/942336767.db2.gz	RQWVAGCKHDGTKM-MRXNPFEDSA-N	1	0	371.441	1.222	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H](C)c3nnnn3C)C2)cc1	ZINC001086774182	942463992	/nfs/dbraw/zinc/46/39/92/942463992.db2.gz	YURLELQPXCWINC-UKPHBRMFSA-N	1	0	352.442	1.441	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN([C@H]2CCN(c3cncc(C#N)n3)C2)CC1	ZINC000817117295	942557509	/nfs/dbraw/zinc/55/75/09/942557509.db2.gz	BDURKCBPPNBTQU-HNNXBMFYSA-N	1	0	358.446	1.480	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc(C)n3CC)C2)c1	ZINC001086798262	942614899	/nfs/dbraw/zinc/61/48/99/942614899.db2.gz	FBRPKBWRMMWFGJ-FUHWJXTLSA-N	1	0	366.469	1.671	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cn(CC)nn3)C2)c1	ZINC001086798886	942623980	/nfs/dbraw/zinc/62/39/80/942623980.db2.gz	MVIHYWSXPZMOQC-DOTOQJQBSA-N	1	0	352.442	1.363	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3CCF)C2)c1	ZINC001086798429	942635182	/nfs/dbraw/zinc/63/51/82/942635182.db2.gz	MZLYEGLOVCPJBX-DOTOQJQBSA-N	1	0	370.432	1.312	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@@H+]2C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C2)CC1	ZINC000817289369	942660232	/nfs/dbraw/zinc/66/02/32/942660232.db2.gz	XXJUMQADTZJWFZ-IRXDYDNUSA-N	1	0	363.502	1.064	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1	ZINC000817419866	942771788	/nfs/dbraw/zinc/77/17/88/942771788.db2.gz	MBYDEPPSZHCPAP-LJQANCHMSA-N	1	0	369.465	1.044	20	30		FDEDRO
CC(C)(C)OC(=O)NCC[N@H+](CCc1ccc(C#N)cc1)C[C@H](O)CO	ZINC001195393196	970936056	/nfs/dbraw/zinc/93/60/56/970936056.db2.gz	AILZYEXPNULSQK-KRWDZBQOSA-N	1	0	363.458	1.281	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1	ZINC000817834547	942996399	/nfs/dbraw/zinc/99/63/99/942996399.db2.gz	CCNYNQOBAPPVAV-VQTJNVASSA-N	1	0	361.445	1.846	20	30		FDEDRO
[NH3+][C@@H](CCC(=O)NCCNC(=O)C1N=CC=CC1=O)CC1CCCCC1	ZINC000818115976	943163898	/nfs/dbraw/zinc/16/38/98/943163898.db2.gz	DXAQCALFUVWSEO-IJYGLTAASA-N	1	0	362.474	1.707	20	30		FDEDRO
[NH3+][C@@H](CCC(=O)NCCNC(=O)C1N=CC=CC1=O)CC1CCCCC1	ZINC000818115978	943163959	/nfs/dbraw/zinc/16/39/59/943163959.db2.gz	DXAQCALFUVWSEO-MJWGMMHASA-N	1	0	362.474	1.707	20	30		FDEDRO
C=CCn1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)nn1	ZINC000818346686	943216778	/nfs/dbraw/zinc/21/67/78/943216778.db2.gz	HWHKUFBALHHYCL-FVQBIDKESA-N	1	0	365.478	1.872	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(C)(C)C[NH3+])cc1	ZINC000818491139	943255481	/nfs/dbraw/zinc/25/54/81/943255481.db2.gz	VEBYNCKRPUIZHA-RGEXLXHISA-N	1	0	352.460	1.423	20	30		FDEDRO
CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2([NH3+])CC2)cc1	ZINC000818501028	943257231	/nfs/dbraw/zinc/25/72/31/943257231.db2.gz	PLCQQHTUVFIIBW-HKWRFOASSA-N	1	0	364.471	1.709	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](Cc2ccccc2)OC)C[C@H]1O	ZINC001195474865	970979027	/nfs/dbraw/zinc/97/90/27/970979027.db2.gz	YUKGVDLTMIZDGI-VAMGGRTRSA-N	1	0	358.482	1.599	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1nnn(-c2ccc3c(c2)OCCO3)c1C	ZINC000818588699	943297201	/nfs/dbraw/zinc/29/72/01/943297201.db2.gz	CFGHNQQALYKOMT-UHFFFAOYSA-N	1	0	369.425	1.032	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1	ZINC000818593075	943323339	/nfs/dbraw/zinc/32/33/39/943323339.db2.gz	KVSIVDQRGRVVBF-UHFFFAOYSA-N	1	0	361.467	1.449	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1	ZINC000818592869	943324511	/nfs/dbraw/zinc/32/45/11/943324511.db2.gz	BYHVUSKXVILRJL-SFHVURJKSA-N	1	0	353.466	1.600	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NCCC[C@@H]2CCC[NH2+]2)ccc1F	ZINC000818595325	943325923	/nfs/dbraw/zinc/32/59/23/943325923.db2.gz	HGYFHEIGCOPYIS-AWEZNQCLSA-N	1	0	369.462	1.552	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@H](C(C)C)n1nnc(-c2ccccc2)n1	ZINC000818606311	943330052	/nfs/dbraw/zinc/33/00/52/943330052.db2.gz	LCYKQKZPSWIICK-KRWDZBQOSA-N	1	0	354.458	1.609	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(c2cc(C)ccc2OC)C1	ZINC000818606257	943330162	/nfs/dbraw/zinc/33/01/62/943330162.db2.gz	HOXPHOWEJOVJGD-MRXNPFEDSA-N	1	0	357.454	1.428	20	30		FDEDRO
C[C@@]1(c2ccc(C[NH2+]C[C@H](O)c3ccc(C#N)cc3)cc2)NC(=O)NC1=O	ZINC000818997576	943377810	/nfs/dbraw/zinc/37/78/10/943377810.db2.gz	GEXWMSPSWLBZNV-PXNSSMCTSA-N	1	0	364.405	1.436	20	30		FDEDRO
CNC(=O)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1	ZINC001110471562	970987510	/nfs/dbraw/zinc/98/75/10/970987510.db2.gz	XRSBBGKMJCXDKC-KURKYZTESA-N	1	0	354.454	1.696	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccn(CC)n3)C2)nn1	ZINC001086823652	943390680	/nfs/dbraw/zinc/39/06/80/943390680.db2.gz	PFDAMQFZHXRSNI-LSDHHAIUSA-N	1	0	357.462	1.369	20	30		FDEDRO
N#Cc1cccnc1NCC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000818976085	943391026	/nfs/dbraw/zinc/39/10/26/943391026.db2.gz	STEFREHQSYLSRF-HNNXBMFYSA-N	1	0	357.370	1.303	20	30		FDEDRO
Cc1ccc(C)c(OC[C@H](O)C[NH2+]CCNC(=O)C2N=CC=CC2=O)c1	ZINC000819049608	943394919	/nfs/dbraw/zinc/39/49/19/943394919.db2.gz	MDPBMGJNIYHVPO-AMGRQBIBSA-N	1	0	359.426	1.159	20	30		FDEDRO
COc1ccc(CN2CC[C@H]([NH2+]C[C@@H](O)c3ccc(C#N)cc3)C2=O)cc1	ZINC000819077276	943432145	/nfs/dbraw/zinc/43/21/45/943432145.db2.gz	JZUHSVIQTTVRFG-VQTJNVASSA-N	1	0	365.433	1.991	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1	ZINC000819243881	943480265	/nfs/dbraw/zinc/48/02/65/943480265.db2.gz	GQGZGLAJRIFKLP-INIZCTEOSA-N	1	0	352.479	1.350	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2COC3(CCCCC3)O2)nc1	ZINC000819209993	943487827	/nfs/dbraw/zinc/48/78/27/943487827.db2.gz	PMDGYVHJKTZTOD-OAHLLOKOSA-N	1	0	365.455	1.392	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H]2COC3(CCCCC3)O2)nc1	ZINC000819209992	943487977	/nfs/dbraw/zinc/48/79/77/943487977.db2.gz	PMDGYVHJKTZTOD-HNNXBMFYSA-N	1	0	365.455	1.392	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)cc1	ZINC000819224132	943495151	/nfs/dbraw/zinc/49/51/51/943495151.db2.gz	XAOKFWYICOUYQV-MOPGFXCFSA-N	1	0	350.422	1.767	20	30		FDEDRO
C[NH+](C)C[C@H]1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1	ZINC000819284498	943502524	/nfs/dbraw/zinc/50/25/24/943502524.db2.gz	RUTVKWBTTCSTQY-HUUCEWRRSA-N	1	0	352.479	1.984	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[NH2+]CCS(=O)(=O)CCc2ccccc2)cc1	ZINC000819291265	943505078	/nfs/dbraw/zinc/50/50/78/943505078.db2.gz	LRWAVYSYVRHKEP-IBGZPJMESA-N	1	0	358.463	1.839	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]Cc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1	ZINC000819296698	943507940	/nfs/dbraw/zinc/50/79/40/943507940.db2.gz	CTBMPWZHFZADDC-FQEVSTJZSA-N	1	0	368.437	1.141	20	30		FDEDRO
C[C@@](O)(C[NH2+]CC(=O)NCC#N)c1ccc(Br)cc1Cl	ZINC000819310929	943509974	/nfs/dbraw/zinc/50/99/74/943509974.db2.gz	JQFQOJTWXKWNSH-CYBMUJFWSA-N	1	0	360.639	1.539	20	30		FDEDRO
C#CCN(C)CCC[NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1	ZINC000819335271	943531011	/nfs/dbraw/zinc/53/10/11/943531011.db2.gz	UPNORSQTNHVCBD-UHFFFAOYSA-N	1	0	356.470	1.687	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O	ZINC001195554107	971004252	/nfs/dbraw/zinc/00/42/52/971004252.db2.gz	CIFRGZQMIMGNHE-BFHYXJOUSA-N	1	0	352.397	1.719	20	30		FDEDRO
C[C@H]1CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CCN1CCO	ZINC000819503094	943599722	/nfs/dbraw/zinc/59/97/22/943599722.db2.gz	HYCUYDLGQSVCJI-LSDHHAIUSA-N	1	0	368.478	1.099	20	30		FDEDRO
C[N@H+]1C[C@H]2CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C[C@H]2C1	ZINC000819515787	943624356	/nfs/dbraw/zinc/62/43/56/943624356.db2.gz	FXDMWDJXCAOUTB-QLFBSQMISA-N	1	0	350.463	1.594	20	30		FDEDRO
CCC(CC)Nc1cc[nH+]cc1NC(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000820139982	943911029	/nfs/dbraw/zinc/91/10/29/943911029.db2.gz	WGHDOYNGOALORG-VHEBQXMUSA-N	1	0	371.441	1.959	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccnc(C)c3)C2)C1=O	ZINC001086832881	943946683	/nfs/dbraw/zinc/94/66/83/943946683.db2.gz	NVJGYBCHOONGNC-CGTJXYLNSA-N	1	0	356.470	1.665	20	30		FDEDRO
C#C[C@@H](CCC)NC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1	ZINC000820640947	944135859	/nfs/dbraw/zinc/13/58/59/944135859.db2.gz	RUXTXMPNOZEMGM-KRWDZBQOSA-N	1	0	364.534	1.914	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC1CC(C[NH2+]Cc2cc(F)ccc2C#N)C1	ZINC000961943514	1013056385	/nfs/dbraw/zinc/05/63/85/1013056385.db2.gz	UQPOMPSIJNIHID-AJSNELNMSA-N	1	0	361.417	1.486	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2CC(=O)N(CC[N@@H+](C)CCOC)C2)CCCCC1	ZINC000820852258	944234834	/nfs/dbraw/zinc/23/48/34/944234834.db2.gz	GXNRZTHQAREYNU-QGZVFWFLSA-N	1	0	363.502	1.256	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3n2)C1	ZINC001195615079	971082045	/nfs/dbraw/zinc/08/20/45/971082045.db2.gz	LVKQOJRPBJHBLG-HUUCEWRRSA-N	1	0	359.430	1.185	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3cnn(C)c3C2)C1	ZINC001195615411	971082194	/nfs/dbraw/zinc/08/21/94/971082194.db2.gz	WNXXVBFKKCFEHQ-KVSKMBFKSA-N	1	0	362.518	1.657	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)NCCN(C)CCC[NH+](C)C	ZINC000821324596	944418587	/nfs/dbraw/zinc/41/85/87/944418587.db2.gz	CWHLDKWGZYUBLZ-UHFFFAOYSA-N	1	0	350.438	1.843	20	30		FDEDRO
C#C[C@@H](NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)C1CCOCC1	ZINC000821505196	944519938	/nfs/dbraw/zinc/51/99/38/944519938.db2.gz	OFVOGNZWBYTCMM-MRXNPFEDSA-N	1	0	358.442	1.397	20	30		FDEDRO
COC(=O)c1ccc(C(=N)Nc2nccc(C[NH3+])c2C(OC)OC)cc1	ZINC001170981136	944898817	/nfs/dbraw/zinc/89/88/17/944898817.db2.gz	IXCDSLOBXCCMEA-UHFFFAOYSA-N	1	0	358.398	1.655	20	30		FDEDRO
COC(=O)c1ccc(C(=[NH2+])Nc2ccc(C[C@H](N)C(=O)OC)cc2)cc1	ZINC001170985237	944947704	/nfs/dbraw/zinc/94/77/04/944947704.db2.gz	OHMPVGLUWHBCEN-INIZCTEOSA-N	1	0	355.394	1.553	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)c1ccncc1	ZINC000805808934	945379192	/nfs/dbraw/zinc/37/91/92/945379192.db2.gz	YWRXRDNLFSMDGU-OKZBNKHCSA-N	1	0	356.470	1.758	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1	ZINC000823092449	945435361	/nfs/dbraw/zinc/43/53/61/945435361.db2.gz	WIPXSFCREUDYOY-UHFFFAOYSA-N	1	0	369.465	1.469	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H]1C	ZINC001090744383	946144130	/nfs/dbraw/zinc/14/41/30/946144130.db2.gz	FBOOIWXPROAKAD-ZYHUDNBSSA-N	1	0	355.895	1.951	20	30		FDEDRO
CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C)C(C)C	ZINC001090753415	946244152	/nfs/dbraw/zinc/24/41/52/946244152.db2.gz	URRIJKNLWDGQAB-QGPMSJSTSA-N	1	0	358.490	1.656	20	30		FDEDRO
CCCCCC[N@H+](C)CC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C	ZINC001090751016	946250348	/nfs/dbraw/zinc/25/03/48/946250348.db2.gz	NFJGWWBCPNFFIC-NVXWUHKLSA-N	1	0	358.490	1.801	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C(C)(C)[C@@H]21	ZINC001573282908	946703221	/nfs/dbraw/zinc/70/32/21/946703221.db2.gz	NOJUUYSLKLLIBA-BPLDGKMQSA-N	1	0	353.430	1.047	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1	ZINC000856635723	971277047	/nfs/dbraw/zinc/27/70/47/971277047.db2.gz	UPTOFHUDNRTDRI-PMACEKPBSA-N	1	0	370.497	1.611	20	30		FDEDRO
C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000824600224	946854205	/nfs/dbraw/zinc/85/42/05/946854205.db2.gz	YJXSNHLKKWMXLS-ISOHDOPZSA-N	1	0	353.386	1.044	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@H+](C[C@H](O)Cc3ccccc3)C[C@H]2O)CCC1	ZINC001195897112	971287154	/nfs/dbraw/zinc/28/71/54/971287154.db2.gz	PCYQATDSVHEVEE-GUDVDZBRSA-N	1	0	358.482	1.498	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CC1	ZINC001573560301	946950159	/nfs/dbraw/zinc/95/01/59/946950159.db2.gz	AYUZJYZAQOEICV-MEDUHNTESA-N	1	0	371.420	1.492	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)C1CC([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573562482	946975723	/nfs/dbraw/zinc/97/57/23/946975723.db2.gz	UKAQPBODPMOTGP-GWMXKSKGSA-N	1	0	357.393	1.244	20	30		FDEDRO
C=C(C)CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c[nH]c(-c3nn[nH]n3)c1)O2	ZINC001573294220	946982498	/nfs/dbraw/zinc/98/24/98/946982498.db2.gz	YVWMIEFVWNSUAD-AWEZNQCLSA-N	1	0	371.445	1.124	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nn[nH]n3)s1)C2	ZINC001573564499	946995338	/nfs/dbraw/zinc/99/53/38/946995338.db2.gz	JNDRSBRRZGSQLC-LLVKDONJSA-N	1	0	357.443	1.122	20	30		FDEDRO
C=C(Cl)C[NH2+]C1(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCCC1	ZINC001573294804	946998630	/nfs/dbraw/zinc/99/86/30/946998630.db2.gz	HIZVIVFPNKSYRZ-UHFFFAOYSA-N	1	0	363.853	1.970	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC(C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1	ZINC001573565181	947002891	/nfs/dbraw/zinc/00/28/91/947002891.db2.gz	OBADJLSUOJLOGI-LBPRGKRZSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573565689	947013021	/nfs/dbraw/zinc/01/30/21/947013021.db2.gz	ULSNLPAGIOVILK-TZMCWYRMSA-N	1	0	371.420	1.446	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC[C@H]21	ZINC001573295501	947021172	/nfs/dbraw/zinc/02/11/72/947021172.db2.gz	QVMJTCSLLJJTKD-BXUZGUMPSA-N	1	0	361.837	1.484	20	30		FDEDRO
C=CCCC1(C(=O)N[C@@H]2C[N@H+](C[C@H](O)C3CCCCC3)C[C@H]2O)CC1	ZINC001195906019	971315581	/nfs/dbraw/zinc/31/55/81/971315581.db2.gz	KWSAJCORCBFCDI-FGTMMUONSA-N	1	0	350.503	1.835	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573567246	947040975	/nfs/dbraw/zinc/04/09/75/947040975.db2.gz	KQNDNHQMVYNSCD-RISCZKNCSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573568006	947061572	/nfs/dbraw/zinc/06/15/72/947061572.db2.gz	WJYMZVVUWDZJJM-OCCSQVGLSA-N	1	0	371.420	1.588	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001573298543	947077514	/nfs/dbraw/zinc/07/75/14/947077514.db2.gz	PKDQKGPWRNERGP-YGRLFVJLSA-N	1	0	363.853	1.778	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573299302	947090457	/nfs/dbraw/zinc/09/04/57/947090457.db2.gz	SFIPRZBXOCFZAQ-IINYFYTJSA-N	1	0	363.853	1.778	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@@]2(C)C1	ZINC001573571143	947100712	/nfs/dbraw/zinc/10/07/12/947100712.db2.gz	ZQTRFKCKQSGDKO-OHNRDTAOSA-N	1	0	365.441	1.307	20	30		FDEDRO
C[C@H](C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2nn[nH]n2)s1	ZINC001573572316	947111479	/nfs/dbraw/zinc/11/14/79/947111479.db2.gz	GWWREKUEDXISBN-ODWCKFRGSA-N	1	0	371.470	1.699	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C(C)(C)C	ZINC001573573019	947117789	/nfs/dbraw/zinc/11/77/89/947117789.db2.gz	KZOVLDBOSWDJFE-XHDPSFHLSA-N	1	0	373.436	1.786	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@H](C)C[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1	ZINC001573300619	947117995	/nfs/dbraw/zinc/11/79/95/947117995.db2.gz	MCINAYKMRNEUBY-QWHCGFSZSA-N	1	0	357.462	1.899	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@H](C)C[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1	ZINC001573300617	947118113	/nfs/dbraw/zinc/11/81/13/947118113.db2.gz	MCINAYKMRNEUBY-CHWSQXEVSA-N	1	0	357.462	1.899	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1(C)C	ZINC001573574122	947128294	/nfs/dbraw/zinc/12/82/94/947128294.db2.gz	QWXIOSINNCTNNV-XJKSGUPXSA-N	1	0	367.457	1.743	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C(C)(C)C	ZINC001573574777	947134945	/nfs/dbraw/zinc/13/49/45/947134945.db2.gz	UUJVZYSRIBHXHL-IAQYHMDHSA-N	1	0	373.436	1.786	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CCCCC1	ZINC001573575689	947140696	/nfs/dbraw/zinc/14/06/96/947140696.db2.gz	ZIDFDXBMGSLZLX-LRDDRELGSA-N	1	0	368.445	1.320	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC1([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCCC1	ZINC001573576578	947154555	/nfs/dbraw/zinc/15/45/55/947154555.db2.gz	HQZWSBGFGQUJPP-GFCCVEGCSA-N	1	0	371.420	1.684	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1	ZINC001573305602	947157070	/nfs/dbraw/zinc/15/70/70/947157070.db2.gz	SBSFLWVYOBBQEO-ZFWWWQNUSA-N	1	0	369.473	1.935	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@H]([NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CC1	ZINC001573577190	947164494	/nfs/dbraw/zinc/16/44/94/947164494.db2.gz	NEBUQBVJJSGLNL-BMIGLBTASA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1(C)C	ZINC001573577521	947169701	/nfs/dbraw/zinc/16/97/01/947169701.db2.gz	QSKPUPLYFSOVEI-WFASDCNBSA-N	1	0	353.430	1.353	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573582192	947186885	/nfs/dbraw/zinc/18/68/85/947186885.db2.gz	BTMHYZRMHFNWFI-OLZOCXBDSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC[N@H+](Cc1cc(F)ccc1-c1nn[nH]n1)C1CC1	ZINC001573582535	947190956	/nfs/dbraw/zinc/19/09/56/947190956.db2.gz	FFMHZXJEICMYKO-NSHDSACASA-N	1	0	357.393	1.246	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@H]1CCCn2nccc21)C(C)C	ZINC000636561635	1013071134	/nfs/dbraw/zinc/07/11/34/1013071134.db2.gz	XNBRDGUYZOJFGT-WMZOPIPTSA-N	1	0	373.501	1.649	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573583074	947199042	/nfs/dbraw/zinc/19/90/42/947199042.db2.gz	IMHLYDRIBYGOBK-NWDGAFQWSA-N	1	0	357.393	1.104	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573583125	947201707	/nfs/dbraw/zinc/20/17/07/947201707.db2.gz	JXEZEFZIIWYXCZ-KBPBESRZSA-N	1	0	353.430	1.355	20	30		FDEDRO
C#CCN1C(=O)C[C@H]([N@@H+]2C[C@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)C1=O	ZINC000856718834	971345743	/nfs/dbraw/zinc/34/57/43/971345743.db2.gz	PAVDCNDQYDOILK-BIENJYKASA-N	1	0	361.442	1.126	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573584683	947229183	/nfs/dbraw/zinc/22/91/83/947229183.db2.gz	BPQBIUXCTBWNBJ-JTNHKYCSSA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1C	ZINC001573584875	947237245	/nfs/dbraw/zinc/23/72/45/947237245.db2.gz	HBQNUNVNIMXUMR-FIXISWKDSA-N	1	0	357.393	1.102	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573585791	947267040	/nfs/dbraw/zinc/26/70/40/947267040.db2.gz	WNPKVNMWBAORSG-SLEUVZQESA-N	1	0	371.420	1.540	20	30		FDEDRO
C=CCC(C)(C)C(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1	ZINC001573320484	947349550	/nfs/dbraw/zinc/34/95/50/947349550.db2.gz	YFOFFKCQAZLMFQ-OAHLLOKOSA-N	1	0	355.446	1.593	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2nnc[nH]2)C[C@H]1c1ccc(OC)cc1	ZINC001090867295	947369012	/nfs/dbraw/zinc/36/90/12/947369012.db2.gz	HVAHYDDSKATOOM-ZWKOTPCHSA-N	1	0	369.469	1.906	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1c1ccc(OC)cc1	ZINC001090870296	947387806	/nfs/dbraw/zinc/38/78/06/947387806.db2.gz	DECRFFACDLSOBI-RBUKOAKNSA-N	1	0	354.454	1.741	20	30		FDEDRO
C=CCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1	ZINC001573327994	947401838	/nfs/dbraw/zinc/40/18/38/947401838.db2.gz	PLMCTHOWJUSGDJ-OKILXGFUSA-N	1	0	356.430	1.578	20	30		FDEDRO
C=CCCC(=O)NCC1([NH2+]Cc2cc(-c3nn[nH]n3)ccc2OC)CC1	ZINC001573328169	947402091	/nfs/dbraw/zinc/40/20/91/947402091.db2.gz	ROIZGMIAHGFAKA-UHFFFAOYSA-N	1	0	356.430	1.580	20	30		FDEDRO
C=CCCC(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CC1	ZINC001573328559	947408753	/nfs/dbraw/zinc/40/87/53/947408753.db2.gz	YLWROXOQNHVXCZ-INIZCTEOSA-N	1	0	358.421	1.956	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1c1ccc(OC)cc1	ZINC001090875551	947493337	/nfs/dbraw/zinc/49/33/37/947493337.db2.gz	ZUTPWEBCZLNCFI-RYQLBKOJSA-N	1	0	357.454	1.291	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2CC)C[C@H]1c1ccc(OC)cc1	ZINC001090874484	947528200	/nfs/dbraw/zinc/52/82/00/947528200.db2.gz	DGGXILJBYUJQDC-RBUKOAKNSA-N	1	0	366.465	1.822	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)C[C@H]1c1ccc(OC)cc1	ZINC001090877979	947544651	/nfs/dbraw/zinc/54/46/51/947544651.db2.gz	BPSOZUIYQAROQT-UEXGIBASSA-N	1	0	369.465	1.129	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2NCC#N)cc1	ZINC001090878296	947548108	/nfs/dbraw/zinc/54/81/08/947548108.db2.gz	PPQCSFXYNNPTDE-RBUKOAKNSA-N	1	0	356.470	1.445	20	30		FDEDRO
C=CCOCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1	ZINC001573347607	947575209	/nfs/dbraw/zinc/57/52/09/947575209.db2.gz	FCYOFVMODXJKLV-KBPBESRZSA-N	1	0	373.461	1.228	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573348624	947586157	/nfs/dbraw/zinc/58/61/57/947586157.db2.gz	SKRJBOAPJGEIGA-DZGCQCFKSA-N	1	0	373.461	1.276	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1	ZINC001573350537	947598827	/nfs/dbraw/zinc/59/88/27/947598827.db2.gz	FLEHGKYYNKFTHR-XYPHTWIQSA-N	1	0	370.457	1.300	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1c1ccc(OC)cc1	ZINC001090881690	947604030	/nfs/dbraw/zinc/60/40/30/947604030.db2.gz	MPRDFGOOYSASJW-OBKDMQGPSA-N	1	0	354.450	1.780	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ncccc2OC)C[C@H]1c1ccc(OC)cc1	ZINC001090884363	947640601	/nfs/dbraw/zinc/64/06/01/947640601.db2.gz	NBTMVWIIFPVOIK-ZWKOTPCHSA-N	1	0	365.433	1.930	20	30		FDEDRO
CC[C@@H](C(=O)N[C@@H]1CN(c2snc(Cl)c2C#N)C[C@H]1OC)[NH+](C)C	ZINC001090905120	947907396	/nfs/dbraw/zinc/90/73/96/947907396.db2.gz	MDYSTGSSSSIAFT-GRYCIOLGSA-N	1	0	371.894	1.328	20	30		FDEDRO
Cc1cc(C[N@@H+](CCO[C@H](C)C#N)C2CC2)cc(S(N)(=O)=O)c1C	ZINC000844392948	948023726	/nfs/dbraw/zinc/02/37/26/948023726.db2.gz	CFBAGUUYCBTDIU-CYBMUJFWSA-N	1	0	351.472	1.844	20	30		FDEDRO
CO[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@H]1NC(=O)CCC[NH+](C)C	ZINC001090933389	948029945	/nfs/dbraw/zinc/02/99/45/948029945.db2.gz	BHURFFKZRWBHLT-HUUCEWRRSA-N	1	0	365.865	1.268	20	30		FDEDRO
CO[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C	ZINC001090949346	948085442	/nfs/dbraw/zinc/08/54/42/948085442.db2.gz	LCFDCHRJUILEKM-RCCFBDPRSA-N	1	0	371.485	1.456	20	30		FDEDRO
CO[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C	ZINC001090950027	948089188	/nfs/dbraw/zinc/08/91/88/948089188.db2.gz	ZIHQCUNYNLVUOP-BRWVUGGUSA-N	1	0	357.458	1.147	20	30		FDEDRO
N#Cc1cncc(C[N@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCCC4)[C@@H]3C2)c1	ZINC001144076112	948190056	/nfs/dbraw/zinc/19/00/56/948190056.db2.gz	ZJYDNWCXHCKECS-QRVBRYPASA-N	1	0	354.454	1.660	20	30		FDEDRO
Cc1cc(N[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]2C)c(C#N)cn1	ZINC001090980470	948221563	/nfs/dbraw/zinc/22/15/63/948221563.db2.gz	XUCGFQKSHKYKHP-DNVCBOLYSA-N	1	0	355.486	1.818	20	30		FDEDRO
CN1CC[NH+](C[C@H]2Cn3ccnc3CN(Cc3ccc(C#N)cn3)C2)CC1	ZINC001144158485	948301768	/nfs/dbraw/zinc/30/17/68/948301768.db2.gz	HMVCNMBPZXGSGW-GOSISDBHSA-N	1	0	365.485	1.029	20	30		FDEDRO
N#C[C@@H]1COCCN1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1=O	ZINC000844696412	948339867	/nfs/dbraw/zinc/33/98/67/948339867.db2.gz	BTLSLDWHTVKPQW-OTWHNJEPSA-N	1	0	354.454	1.149	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ccc(C(N)=O)cc2)C1	ZINC001091033985	948556530	/nfs/dbraw/zinc/55/65/30/948556530.db2.gz	RNALOKZDZKTXNP-AWRGBYNESA-N	1	0	371.481	1.751	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)ccc1F	ZINC000857008255	971528777	/nfs/dbraw/zinc/52/87/77/971528777.db2.gz	FRIWFKYPKNPFCJ-DYVFJYSZSA-N	1	0	367.446	1.243	20	30		FDEDRO
CC(=O)N[C@@H](CS)C(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1	ZINC001144427187	949238847	/nfs/dbraw/zinc/23/88/47/949238847.db2.gz	YJLCQXGVVMEPND-FJIDUMEYSA-N	1	0	361.511	1.733	20	30		FDEDRO
C=C(Br)C[NH2+]C1CC(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1	ZINC001091096290	949311301	/nfs/dbraw/zinc/31/13/01/949311301.db2.gz	RDQIGXPUBWLMAW-BLYZHGLHSA-N	1	0	360.296	1.099	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O)[NH+]1CCCCC1	ZINC001091116805	949348526	/nfs/dbraw/zinc/34/85/26/949348526.db2.gz	ARQVOZAMLXAVDQ-CEXWTWQISA-N	1	0	371.485	1.129	20	30		FDEDRO
C=C(C)CONC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000845596592	949689950	/nfs/dbraw/zinc/68/99/50/949689950.db2.gz	VZFZFNDDESELQO-KRWDZBQOSA-N	1	0	360.458	1.691	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CN(c2cccc(F)c2C#N)C[C@@H]1O	ZINC001091153961	949740313	/nfs/dbraw/zinc/74/03/13/949740313.db2.gz	UVNOYWBBCNETAM-INMHGKMJSA-N	1	0	366.412	1.043	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nn(C)c3c2CCCC3)C1	ZINC001196298758	971612470	/nfs/dbraw/zinc/61/24/70/971612470.db2.gz	BHEYMUBXZWQLRN-SJLPKXTDSA-N	1	0	360.502	1.820	20	30		FDEDRO
Cc1nc(N2C[C@@H](NC(=O)CC3([NH+](C)C)CCCC3)[C@@H](O)C2)ccc1C#N	ZINC001091163670	949935992	/nfs/dbraw/zinc/93/59/92/949935992.db2.gz	GJTYHYGJDXTNFD-SJORKVTESA-N	1	0	371.485	1.192	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]2O)CCCCC1	ZINC001091164993	949962643	/nfs/dbraw/zinc/96/26/43/949962643.db2.gz	MBMVTIHHFJWNFE-SJORKVTESA-N	1	0	371.485	1.131	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1	ZINC001570962550	950032253	/nfs/dbraw/zinc/03/22/53/950032253.db2.gz	FPIUPAIVZWZIJX-CZUORRHYSA-N	1	0	353.430	1.497	20	30		FDEDRO
N#Cc1cncc(N2CCC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC2)n1	ZINC001066803012	1013099486	/nfs/dbraw/zinc/09/94/86/1013099486.db2.gz	XZTZPDOACRTGOM-NWANDNLSSA-N	1	0	351.414	1.350	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1	ZINC000857212204	971650633	/nfs/dbraw/zinc/65/06/33/971650633.db2.gz	HESMKXBLPCTKCC-QGZVFWFLSA-N	1	0	365.499	1.312	20	30		FDEDRO
CC[C@H](C(=O)N[C@@H]1CN(c2cccc(F)c2C#N)C[C@@H]1O)[NH+](CC)CC	ZINC001091181257	950336786	/nfs/dbraw/zinc/33/67/86/950336786.db2.gz	YGLMREQQXRRVJS-NUJGCVRESA-N	1	0	362.449	1.483	20	30		FDEDRO
CC[N@H+](CCCNC(=O)C(=O)Nc1cnn(CC#N)c1)C1CCCCC1	ZINC000846071166	950428833	/nfs/dbraw/zinc/42/88/33/950428833.db2.gz	ZPLZMDXIXHVSJN-UHFFFAOYSA-N	1	0	360.462	1.506	20	30		FDEDRO
C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1ccc(C#N)s1	ZINC001574994852	950497925	/nfs/dbraw/zinc/49/79/25/950497925.db2.gz	APONJWCDEIFNKN-SECBINFHSA-N	1	0	356.415	1.036	20	30		FDEDRO
C[C@@H](Cc1cccc(C#N)c1)N1CCn2c(CN3CCOCC3)nnc2C1	ZINC001171211709	950513333	/nfs/dbraw/zinc/51/33/33/950513333.db2.gz	GXTOEWCRBMOYRF-INIZCTEOSA-N	1	0	366.469	1.429	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1	ZINC000846329378	950869096	/nfs/dbraw/zinc/86/90/96/950869096.db2.gz	GXNFLKVGHZCIKM-IPMKNSEASA-N	1	0	369.465	1.029	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1CC[C@H]2CCN(c3cncc(C#N)n3)[C@H]2C1	ZINC001091216792	950936795	/nfs/dbraw/zinc/93/67/95/950936795.db2.gz	QTOWHNLVUIFAAH-RDJZCZTQSA-N	1	0	356.474	1.507	20	30		FDEDRO
C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC(C(=O)N2CCN(C)CC2)CC1	ZINC001171222632	950950589	/nfs/dbraw/zinc/95/05/89/950950589.db2.gz	HYJWBDJZQJNCKH-QGZVFWFLSA-N	1	0	354.498	1.975	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1CC[C@H]2CCN(c3ncc(C#N)cc3F)[C@H]2C1	ZINC001091216515	951000512	/nfs/dbraw/zinc/00/05/12/951000512.db2.gz	OOJOGJPZEWKAME-RDJZCZTQSA-N	1	0	359.449	1.861	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)c2cccc(Cl)c2)C1	ZINC001196451914	971710749	/nfs/dbraw/zinc/71/07/49/971710749.db2.gz	FCYCSKYQSXABED-IAGOWNOFSA-N	1	0	366.889	1.982	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N2CC[C@H]3CCN(c4ccc(C#N)nc4)[C@H]3C2)CC1	ZINC001091226787	951102804	/nfs/dbraw/zinc/10/28/04/951102804.db2.gz	WBGCOUDUVFOKGZ-YJBOKZPZSA-N	1	0	353.470	1.722	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N2CC[C@H]3CCN(c4cncc(C#N)n4)[C@H]3C2)CC1	ZINC001091226913	951103707	/nfs/dbraw/zinc/10/37/07/951103707.db2.gz	YORYTRUOJFIACP-HOCLYGCPSA-N	1	0	354.458	1.117	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)cc1	ZINC001571004700	951155671	/nfs/dbraw/zinc/15/56/71/951155671.db2.gz	PBOSOIZXNFEUOS-OAHLLOKOSA-N	1	0	362.397	1.071	20	30		FDEDRO
C=C(Cl)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1	ZINC001571012019	951247893	/nfs/dbraw/zinc/24/78/93/951247893.db2.gz	DWQCCGZIZHVLQY-RYUDHWBXSA-N	1	0	363.853	1.778	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2cnnn2CC)C1	ZINC001091271457	951261809	/nfs/dbraw/zinc/26/18/09/951261809.db2.gz	IXJOHINZFCXTJX-RLNQZENFSA-N	1	0	361.490	1.654	20	30		FDEDRO
Cc1cc(C#N)nc(N[C@@H]2CCCC[C@H]2NC(=O)[C@@H](C2CC2)[NH+](C)C)n1	ZINC001091281182	951304712	/nfs/dbraw/zinc/30/47/12/951304712.db2.gz	CQGGSOGDZHBNKO-BRWVUGGUSA-N	1	0	356.474	1.836	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@]34C[C@H]3COC4)c2)C1	ZINC001091399857	951570086	/nfs/dbraw/zinc/57/00/86/951570086.db2.gz	DJJHYZYWBCRKHJ-QSFXBCCZSA-N	1	0	355.438	1.211	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@H]3OCC[C@H]3C)c2)C1	ZINC001091405003	951599443	/nfs/dbraw/zinc/59/94/43/951599443.db2.gz	QVQUJYDCPXEJKJ-MNEFBYGVSA-N	1	0	357.454	1.599	20	30		FDEDRO
COCOc1cnc(NC(=N)c2ccc(C(N)=O)cc2)cc1C=C[NH+](C)C	ZINC001171256187	951659298	/nfs/dbraw/zinc/65/92/98/951659298.db2.gz	IVIGSAAXZWFLNA-CMDGGOBGSA-N	1	0	369.425	1.733	20	30		FDEDRO
C[C@H](CNC(=O)C#CC(C)(C)C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001575080874	951718559	/nfs/dbraw/zinc/71/85/59/951718559.db2.gz	ZXAOULJYGMEHEE-ZDUSSCGKSA-N	1	0	372.448	1.897	20	30		FDEDRO
CCOC(=O)c1cc(NC(=[NH2+])c2ccc(C(N)=O)cc2)cc2c1OCC2	ZINC001171258674	951726975	/nfs/dbraw/zinc/72/69/75/951726975.db2.gz	JOKBPHYNQOWMSG-UHFFFAOYSA-N	1	0	353.378	1.934	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ccccn4)C[C@]3(C)C2)C1=O	ZINC001091431153	951731904	/nfs/dbraw/zinc/73/19/04/951731904.db2.gz	MDZNAVSCLWRPHB-SYNHAJSKSA-N	1	0	354.454	1.262	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@H]3COCCO3)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001091503563	951893062	/nfs/dbraw/zinc/89/30/62/951893062.db2.gz	HEPBUCPSQPRFKG-DYXWJJEUSA-N	1	0	354.450	1.234	20	30		FDEDRO
C[C@H](CNC(=O)c1ccc(C#N)[nH]1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1	ZINC001575110070	951937129	/nfs/dbraw/zinc/93/71/29/951937129.db2.gz	XQAIZQAFPWKEQQ-LBPRGKRZSA-N	1	0	364.413	1.222	20	30		FDEDRO
C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)C[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001575114081	951953366	/nfs/dbraw/zinc/95/33/66/951953366.db2.gz	MBFYAUSTOSHLEQ-GFCCVEGCSA-N	1	0	364.413	1.222	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2C[N@H+](CCc3ccc4c(c3)OCCO4)C[C@@]2(C)C1	ZINC001091543674	951980865	/nfs/dbraw/zinc/98/08/65/951980865.db2.gz	NIBZZAIFOGAIMX-XPIZARPCSA-N	1	0	369.465	1.940	20	30		FDEDRO
C[C@]12CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]1C[N@H+](CCO[C@H]1CC1(F)F)C2	ZINC001091574287	952110939	/nfs/dbraw/zinc/11/09/39/952110939.db2.gz	CMAOKCJKONTWQO-KMFMINBZSA-N	1	0	364.396	1.704	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3CCNC(=O)C3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001091590455	952171640	/nfs/dbraw/zinc/17/16/40/952171640.db2.gz	RQSUCUIVSPAMQR-UEXGIBASSA-N	1	0	366.465	1.365	20	30		FDEDRO
Cn1ncc(C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@@]3(C)C2)c1N	ZINC001091617116	952322955	/nfs/dbraw/zinc/32/29/55/952322955.db2.gz	LGWDXIORAZIYPC-UZLBHIALSA-N	1	0	364.453	1.468	20	30		FDEDRO
Cn1cc(C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)c(F)c4)C[C@@]3(C)C2)nn1	ZINC001091645334	952473590	/nfs/dbraw/zinc/47/35/90/952473590.db2.gz	DZENXRLVUMAVPV-BEFAXECRSA-N	1	0	368.416	1.420	20	30		FDEDRO
C[C@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1	ZINC001091660984	952522865	/nfs/dbraw/zinc/52/28/65/952522865.db2.gz	VBCMYBGMEMRHBR-CDXJDZJCSA-N	1	0	357.498	1.581	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)C4(C(F)F)CC4)C[C@]3(C)C2)C1=O	ZINC001091668856	952559980	/nfs/dbraw/zinc/55/99/80/952559980.db2.gz	SLNNYHMYFSDLTG-GLJUWKHASA-N	1	0	367.440	1.599	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H]2CN(C(=O)c3cn([C@@H](C)COC)nc3C)C[C@]2(C)C1	ZINC001091670401	952579821	/nfs/dbraw/zinc/57/98/21/952579821.db2.gz	MAHOLKCMEPCILL-VPWXQRGCSA-N	1	0	358.486	1.816	20	30		FDEDRO
C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CCCNc1ccnc(C#N)n1	ZINC001091707963	952693993	/nfs/dbraw/zinc/69/39/93/952693993.db2.gz	XPSJKCHNGWHQIO-HZPDHXFCSA-N	1	0	358.490	1.541	20	30		FDEDRO
N#Cc1cccc([C@@H]2CN(S(=O)(=O)CCC[NH+]3CCCC3)CCO2)c1	ZINC000867026305	952809075	/nfs/dbraw/zinc/80/90/75/952809075.db2.gz	QSIMCUOQJXHBKI-SFHVURJKSA-N	1	0	363.483	1.747	20	30		FDEDRO
N#Cc1cccc([C@H]2CN(S(=O)(=O)CCC[NH+]3CCCC3)CCO2)c1	ZINC000867026303	952809544	/nfs/dbraw/zinc/80/95/44/952809544.db2.gz	QSIMCUOQJXHBKI-GOSISDBHSA-N	1	0	363.483	1.747	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@@]2(C)C1	ZINC001091762987	952847031	/nfs/dbraw/zinc/84/70/31/952847031.db2.gz	ANRJMXFRIVMTLE-UZLBHIALSA-N	1	0	365.437	1.890	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCC(=O)N3)C2)ccc1F	ZINC001086856281	952902470	/nfs/dbraw/zinc/90/24/70/952902470.db2.gz	RODHBPGHZXLCJO-LXZKKBNFSA-N	1	0	358.417	1.350	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H](C)c3nnc(CC)[nH]3)C2)nc1	ZINC001086856970	952903956	/nfs/dbraw/zinc/90/39/56/952903956.db2.gz	DSOVGGDQESSDCG-CWRNSKLLSA-N	1	0	366.469	1.993	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C(N)=O)c3)C2)cc1	ZINC001086876133	952927416	/nfs/dbraw/zinc/92/74/16/952927416.db2.gz	ALYQLLUYXQZPFL-DOTOQJQBSA-N	1	0	365.437	1.674	20	30		FDEDRO
CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)CC1	ZINC001086934778	952945094	/nfs/dbraw/zinc/94/50/94/952945094.db2.gz	ZULYUJNYDXBZSD-CADBVGFASA-N	1	0	360.498	1.764	20	30		FDEDRO
C=CCn1cnc2nc(NC(=S)NCCC[NH+](CC)CC)[nH]c(=O)c21	ZINC001196719406	971882888	/nfs/dbraw/zinc/88/28/88/971882888.db2.gz	JQUYBDSPJXSJKX-UHFFFAOYSA-N	1	0	363.491	1.736	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2[NH2+]CCC2CC2)cn1	ZINC001086972845	952977933	/nfs/dbraw/zinc/97/79/33/952977933.db2.gz	CMHNINMQVGRFRR-FUHWJXTLSA-N	1	0	352.442	1.618	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2oc(CC3CC3)nc2C)C[C@H]1c1cnn(C)c1	ZINC001086978661	952990803	/nfs/dbraw/zinc/99/08/03/952990803.db2.gz	JJBGRMRAYSRGNN-DLBZAZTESA-N	1	0	367.453	1.500	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn(C3CCC3)c2)C[C@H]1c1cnn(C)c1	ZINC001086979146	952992142	/nfs/dbraw/zinc/99/21/42/952992142.db2.gz	LJVMNLMDFOBJBV-ZWKOTPCHSA-N	1	0	352.442	1.173	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnc3n2CCCCC3)C[C@H]1c1cnn(C)c1	ZINC001086984075	952998298	/nfs/dbraw/zinc/99/82/98/952998298.db2.gz	YLUSODRTAIMSOK-DLBZAZTESA-N	1	0	368.485	1.727	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3ccnc3C2)C[C@H]1c1cnn(C)c1	ZINC001086984904	952999937	/nfs/dbraw/zinc/99/99/37/952999937.db2.gz	JNQZOLYUHQUPHZ-BPQIPLTHSA-N	1	0	368.485	1.339	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2ccncc2)C[C@H]1c1cnn(C)c1	ZINC001086985469	953003034	/nfs/dbraw/zinc/00/30/34/953003034.db2.gz	LXSFHLZFWAFUAG-RBUKOAKNSA-N	1	0	353.470	1.908	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3ccccc3O2)C[C@H]1c1cnn(C)c1	ZINC001086986194	953005457	/nfs/dbraw/zinc/00/54/57/953005457.db2.gz	BJDHYFLZDVPCOY-YQVWRLOYSA-N	1	0	352.438	1.494	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2c(C)nn(C)c2C)C[C@H]1c1cnn(C)c1	ZINC001086990043	953015965	/nfs/dbraw/zinc/01/59/65/953015965.db2.gz	GNSUSBCTVYNIQV-RBUKOAKNSA-N	1	0	370.501	1.473	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cnc(C)nc2)C1	ZINC001086990754	953018646	/nfs/dbraw/zinc/01/86/46/953018646.db2.gz	SWERKRZRQDBJHJ-ZWKOTPCHSA-N	1	0	368.485	1.815	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccnn2C)C1	ZINC001086991273	953020334	/nfs/dbraw/zinc/02/03/34/953020334.db2.gz	TYLFMNLGHHFMCU-DLBZAZTESA-N	1	0	356.474	1.450	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2c(F)cccc2F)C[C@H]1c1cnn(C)c1	ZINC001086994227	953028565	/nfs/dbraw/zinc/02/85/65/953028565.db2.gz	OLWQORBLSBPZTH-MAUKXSAKSA-N	1	0	358.392	1.458	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccnn2[C@H](C)CC)C[C@H]1c1cnn(C)c1	ZINC001086981475	953033112	/nfs/dbraw/zinc/03/31/12/953033112.db2.gz	LGZHPFNUIFUCNG-HYVNUMGLSA-N	1	0	356.474	1.971	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1O	ZINC001196691829	971890751	/nfs/dbraw/zinc/89/07/51/971890751.db2.gz	KYRWHJSEJMUFSD-RCCFBDPRSA-N	1	0	351.491	1.199	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ncccc2NC(C)=O)C[C@H]1c1cnn(C)c1	ZINC001086982086	953034520	/nfs/dbraw/zinc/03/45/20/953034520.db2.gz	SLZMQLUUDJQYGF-DOTOQJQBSA-N	1	0	368.441	1.157	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]Cc3cncn3C)C2)C1	ZINC001086996318	953036689	/nfs/dbraw/zinc/03/66/89/953036689.db2.gz	YWGFLFSEBHAFJL-ZWKOTPCHSA-N	1	0	368.485	1.594	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc[nH]c2C2CCC2)C[C@H]1c1cnn(C)c1	ZINC001086996365	953036704	/nfs/dbraw/zinc/03/67/04/953036704.db2.gz	ALMKARQAECRPRR-ZWKOTPCHSA-N	1	0	351.454	1.847	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn(CCC(C)C)nn2)C[C@H]1c1cnn(C)c1	ZINC001086996829	953038405	/nfs/dbraw/zinc/03/84/05/953038405.db2.gz	YJJOPHGFJVAMRU-DLBZAZTESA-N	1	0	371.489	1.442	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COc2cccc(OC)c2)C[C@H]1c1cnn(C)c1	ZINC001086998570	953043202	/nfs/dbraw/zinc/04/32/02/953043202.db2.gz	UBQNXFYVWOXUIO-RBUKOAKNSA-N	1	0	368.437	1.025	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2oc(C3CC3)nc2C)C[C@H]1c1cnn(C)c1	ZINC001087001374	953054758	/nfs/dbraw/zinc/05/47/58/953054758.db2.gz	QXVOZKSEOAYUIG-JKSUJKDBSA-N	1	0	353.426	1.425	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccc(OC(C)C)n2)C[C@H]1c1cnn(C)c1	ZINC001087004257	953061792	/nfs/dbraw/zinc/06/17/92/953061792.db2.gz	NSGGOBXMHHOZMB-FUHWJXTLSA-N	1	0	369.469	1.986	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)nn2C)C[C@H]1c1cnn(C)c1	ZINC001087004340	953062376	/nfs/dbraw/zinc/06/23/76/953062376.db2.gz	SRYIMADJGOTQCI-DOTOQJQBSA-N	1	0	356.474	1.661	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C(F)F)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001087013920	953068629	/nfs/dbraw/zinc/06/86/29/953068629.db2.gz	RSFLLXWHHACTMS-UKRRQHHQSA-N	1	0	355.360	1.916	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087021898	953086768	/nfs/dbraw/zinc/08/67/68/953086768.db2.gz	PBZSSTJTTYKRSZ-QZTJIDSGSA-N	1	0	371.437	1.400	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(OC)cc(OC)c2)C[C@H]1c1cnn(C)c1	ZINC001087006971	953091942	/nfs/dbraw/zinc/09/19/42/953091942.db2.gz	DVAJRMYYCKMJGT-RBUKOAKNSA-N	1	0	368.437	1.268	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COc2ccccc2CC)C[C@H]1c1cnn(C)c1	ZINC001087007929	953094249	/nfs/dbraw/zinc/09/42/49/953094249.db2.gz	CXOGJKCOJUDTNX-RBUKOAKNSA-N	1	0	366.465	1.579	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)cc2)C[C@H]1c1cnn(C)c1	ZINC001087008858	953096180	/nfs/dbraw/zinc/09/61/80/953096180.db2.gz	AKRIJDDARFSNPC-ZWKOTPCHSA-N	1	0	367.453	1.293	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1cnn(C)c1	ZINC001087009781	953099075	/nfs/dbraw/zinc/09/90/75/953099075.db2.gz	YFXKETRJHPMPSL-CWRNSKLLSA-N	1	0	351.882	1.008	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](Cc2ccccc2)OC)C[C@H]1c1cnn(C)c1	ZINC001087010338	953101227	/nfs/dbraw/zinc/10/12/27/953101227.db2.gz	XGADZFUJLDFMQC-ZCNNSNEGSA-N	1	0	366.465	1.195	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]nc3ccccc32)C[C@H]1c1cnn(C)c1	ZINC001087010650	953101745	/nfs/dbraw/zinc/10/17/45/953101745.db2.gz	KWMWKYVCIZMXMF-QFBILLFUSA-N	1	0	364.453	1.609	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C(F)F)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001087013802	953109340	/nfs/dbraw/zinc/10/93/40/953109340.db2.gz	MLRBSBIGAIWNJS-UKRRQHHQSA-N	1	0	355.360	1.916	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087028753	953118396	/nfs/dbraw/zinc/11/83/96/953118396.db2.gz	VOBRQXMBGGBZKA-SJLPKXTDSA-N	1	0	353.426	1.548	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C)n2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087035259	953144817	/nfs/dbraw/zinc/14/48/17/953144817.db2.gz	TTZNMEDGVAIONV-IEBWSBKVSA-N	1	0	367.453	1.857	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+][C@@H](C)c1cnccn1	ZINC001087039856	953156242	/nfs/dbraw/zinc/15/62/42/953156242.db2.gz	HFGQJNNTHUFCIO-JCKWVBRZSA-N	1	0	368.441	1.504	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](OC)C2CC2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087050134	953176688	/nfs/dbraw/zinc/17/66/88/953176688.db2.gz	MRISYNZXPZGJBP-AQNXPRMDSA-N	1	0	371.481	1.936	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H]2CCN(C)C2=O)[C@H](OCC)C1	ZINC001087057641	953192784	/nfs/dbraw/zinc/19/27/84/953192784.db2.gz	NJPKVUJDONOFSD-RBSFLKMASA-N	1	0	371.909	1.449	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1ncc(C)o1	ZINC001087046232	953193832	/nfs/dbraw/zinc/19/38/32/953193832.db2.gz	SOBFPXHWCOOIKH-CZUORRHYSA-N	1	0	357.414	1.450	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1cncs1	ZINC001087047156	953195844	/nfs/dbraw/zinc/19/58/44/953195844.db2.gz	VYSDEVQSICIGIS-CZUORRHYSA-N	1	0	359.455	1.610	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCCCc3ccccc3)C[C@H]2O)nn1	ZINC001196749048	971908034	/nfs/dbraw/zinc/90/80/34/971908034.db2.gz	LADQRWVHMHFFLB-IEBWSBKVSA-N	1	0	369.469	1.262	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3nocc3C)[C@H](OCC)C2)c1	ZINC001087082324	953240657	/nfs/dbraw/zinc/24/06/57/953240657.db2.gz	GUBKENYINIKGAV-IEBWSBKVSA-N	1	0	368.437	1.626	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]Cc3cn(CC)nn3)[C@H](OCC)C2)C1	ZINC001087082190	953240776	/nfs/dbraw/zinc/24/07/76/953240776.db2.gz	AQUGZTHHHMFWEB-NVXWUHKLSA-N	1	0	361.490	1.607	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ncccn3)[C@H](OCC)C2)cn1	ZINC001087097234	953284155	/nfs/dbraw/zinc/28/41/55/953284155.db2.gz	DDCUUTQFNDFWOY-SJLPKXTDSA-N	1	0	365.437	1.120	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]C[C@@H]3CCCOC3)[C@H](OCC)C2)cn1	ZINC001087097332	953284493	/nfs/dbraw/zinc/28/44/93/953284493.db2.gz	KFVIOAWKLAMMNP-ILZDJORESA-N	1	0	371.481	1.556	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)Cc4ccccc4)C[C@]3(C)C2)C1=O	ZINC001091792623	953315443	/nfs/dbraw/zinc/31/54/43/953315443.db2.gz	IJPPMEDDWKXBRT-KNKQGSTJSA-N	1	0	367.493	1.796	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CCN1c1nc(C)cc(C#N)n1	ZINC001091797460	953324297	/nfs/dbraw/zinc/32/42/97/953324297.db2.gz	NOICSBIZGJFRFE-BBWFWOEESA-N	1	0	358.490	1.716	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CCN1c1ccnc(C#N)n1	ZINC001091831380	953372383	/nfs/dbraw/zinc/37/23/83/953372383.db2.gz	ATLHVJIACPHHRK-HRCADAONSA-N	1	0	356.474	1.696	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3cnc4sccn4c3=O)C[C@]2(C)C1	ZINC001091833240	953380909	/nfs/dbraw/zinc/38/09/09/953380909.db2.gz	QKUZQQVMBHFYDL-ACJLOTCBSA-N	1	0	358.467	1.726	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cnc4c(c3)c(C)nn4C)C[C@]2(C)C1	ZINC001091899781	953654638	/nfs/dbraw/zinc/65/46/38/953654638.db2.gz	KDRVFRYRZPSMEO-UZLBHIALSA-N	1	0	351.454	1.694	20	30		FDEDRO
Cc1n[nH]nc1C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@]2(C)C1	ZINC001091906334	953678767	/nfs/dbraw/zinc/67/87/67/953678767.db2.gz	NEMJQRBRCYDWAL-APWZRJJASA-N	1	0	350.426	1.579	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCO[C@H](C)C3)C[C@@]2(C)C1	ZINC001091918363	953709227	/nfs/dbraw/zinc/70/92/27/953709227.db2.gz	KVYSTQNNVGYIQV-QINHECLXSA-N	1	0	363.502	1.226	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@]3(F)CCOC3)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001091951833	953829826	/nfs/dbraw/zinc/82/98/26/953829826.db2.gz	ZUXMYBJCRODAMA-YZGWKJHDSA-N	1	0	357.429	1.967	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H]2C)n1	ZINC001091999173	953922536	/nfs/dbraw/zinc/92/25/36/953922536.db2.gz	IQBIGEGMSMNIKH-QIIPPGSGSA-N	1	0	358.490	1.580	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@H]1CCN(c2cncc(C#N)n2)[C@@H]1C)[NH+]1CCCCC1	ZINC001091979557	953976573	/nfs/dbraw/zinc/97/65/73/953976573.db2.gz	JZAOLKXTYZZTER-AYBZRNKSSA-N	1	0	370.501	1.942	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4nnnn4CC3)C[C@]2(C)C1	ZINC001092033590	953990905	/nfs/dbraw/zinc/99/09/05/953990905.db2.gz	GKDOTTURLZFOEC-FCEWJHQRSA-N	1	0	358.490	1.372	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)[C@H]2C)n1	ZINC001092062491	954179566	/nfs/dbraw/zinc/17/95/66/954179566.db2.gz	PLVXIEZVBIJPRA-OIISXLGYSA-N	1	0	370.501	1.868	20	30		FDEDRO
C[C@]12CN(C(=O)C[C@H]3CCC(=O)N3)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001092093115	954262947	/nfs/dbraw/zinc/26/29/47/954262947.db2.gz	MYQVNMFQMXWZHG-KNKQGSTJSA-N	1	0	365.477	1.487	20	30		FDEDRO
C[C@]12CN(C(=O)c3nc[nH]n3)C[C@H]1C[N@H+](CC#Cc1ccc(Cl)cc1)C2	ZINC001092109094	954337205	/nfs/dbraw/zinc/33/72/05/954337205.db2.gz	FTFJZMAYMLHCFM-BEFAXECRSA-N	1	0	369.856	1.904	20	30		FDEDRO
C[C@]12CN(C(=O)c3nc[nH]n3)C[C@H]1C[N@H+](CC#Cc1ccc(F)cc1)C2	ZINC001092109569	954337721	/nfs/dbraw/zinc/33/77/21/954337721.db2.gz	QCHZUKJBAHGAEA-BEFAXECRSA-N	1	0	353.401	1.389	20	30		FDEDRO
C[C@]12CN(C(=O)Cc3ncc[nH]3)C[C@H]1C[N@H+](Cc1ccc(C#N)s1)C2	ZINC001092138381	954445227	/nfs/dbraw/zinc/44/52/27/954445227.db2.gz	XSODFDNZPFDBHH-ACJLOTCBSA-N	1	0	355.467	1.866	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cc(C)nc4c3cnn4C)C[C@]2(C)C1	ZINC001092140596	954450365	/nfs/dbraw/zinc/45/03/65/954450365.db2.gz	FLQQJCYPNGVMRE-QRWLVFNGSA-N	1	0	351.454	1.694	20	30		FDEDRO
C[C@]12CN(C(=O)Cc3nnc[nH]3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1F)C2	ZINC001092185723	954484947	/nfs/dbraw/zinc/48/49/47/954484947.db2.gz	OIUGBILGEBFNDQ-BEFAXECRSA-N	1	0	368.416	1.338	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H]2CN(C(=O)c3cccc(NC(=O)NC)c3)C[C@]2(C)C1	ZINC001092198907	954516694	/nfs/dbraw/zinc/51/66/94/954516694.db2.gz	BAVIVOVRCQYCFZ-UZLBHIALSA-N	1	0	354.454	1.855	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@H+](CC[C@H]4CCOC4)C[C@@]3(C)C2)nc1	ZINC001092211444	954618896	/nfs/dbraw/zinc/61/88/96/954618896.db2.gz	GEGSOSWOHZIIEH-UEXGIBASSA-N	1	0	353.466	1.883	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@H+](CC4CCOCC4)C[C@@]3(C)C2)cn1	ZINC001092211880	954620382	/nfs/dbraw/zinc/62/03/82/954620382.db2.gz	SBFFTVZXMLKZNG-NQIIRXRSSA-N	1	0	353.466	1.883	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)Cn3c4ccccc4oc3=O)C[C@]2(C)C1	ZINC001092267357	954635918	/nfs/dbraw/zinc/63/59/18/954635918.db2.gz	VYWCGHBJGAUFRK-QRWLVFNGSA-N	1	0	355.438	1.951	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)Cc4ccc[nH]4)C[C@]3(C)C2)C1=O	ZINC001092290994	954886532	/nfs/dbraw/zinc/88/65/32/954886532.db2.gz	NACABQXNZISFRV-MDYRTPRTSA-N	1	0	356.470	1.124	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CNC(=O)C[NH+]1CCC(C)CC1	ZINC001092393679	954995749	/nfs/dbraw/zinc/99/57/49/954995749.db2.gz	HJPGMRAHSJRDBO-HZPDHXFCSA-N	1	0	356.474	1.269	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1CNC(=O)C[NH+]1CCC(C)CC1	ZINC001092393529	954995963	/nfs/dbraw/zinc/99/59/63/954995963.db2.gz	CZLSLPAACRRFDF-IAGOWNOFSA-N	1	0	355.486	1.874	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H](CNC(=O)C3=COCCO3)[C@H](C)C2)cc1C#N	ZINC001092437013	955095380	/nfs/dbraw/zinc/09/53/80/955095380.db2.gz	VFNMBIOSTFZQBL-RHSMWYFYSA-N	1	0	371.437	1.639	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1	ZINC001092408247	955134849	/nfs/dbraw/zinc/13/48/49/955134849.db2.gz	KUKDDKFQKSDSTG-HZPDHXFCSA-N	1	0	370.501	1.801	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1C	ZINC001092419318	955155905	/nfs/dbraw/zinc/15/59/05/955155905.db2.gz	ZFABHRIGYRDACW-UKRRQHHQSA-N	1	0	358.490	1.576	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CNC(=O)c2cnns2)[C@H](C)C1	ZINC001092485780	955243333	/nfs/dbraw/zinc/24/33/33/955243333.db2.gz	MDGLUJFMKDVJCO-IUODEOHRSA-N	1	0	371.466	1.916	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)c1ccnn1C	ZINC001092499145	955267093	/nfs/dbraw/zinc/26/70/93/955267093.db2.gz	LLHPGFGPCMXEKS-NVXWUHKLSA-N	1	0	367.453	1.820	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C	ZINC001092524178	955323216	/nfs/dbraw/zinc/32/32/16/955323216.db2.gz	YJFHUIOUYUXULZ-BRWVUGGUSA-N	1	0	370.501	1.801	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC001092551334	955402473	/nfs/dbraw/zinc/40/24/73/955402473.db2.gz	XIHZDPDREYDSRT-SZVBFZGTSA-N	1	0	366.465	1.788	20	30		FDEDRO
C[C@@H]1CN(c2ccncc2C#N)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001092552261	955408443	/nfs/dbraw/zinc/40/84/43/955408443.db2.gz	ZZYXBUIGTYRIPB-SUMDDJOVSA-N	1	0	367.497	1.874	20	30		FDEDRO
COc1cc(C[N@H+]2C[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)ccn1	ZINC001092552307	955410188	/nfs/dbraw/zinc/41/01/88/955410188.db2.gz	RQXIXRAWRNZLRV-CZUORRHYSA-N	1	0	353.426	1.788	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC001092553826	955418465	/nfs/dbraw/zinc/41/84/65/955418465.db2.gz	WSAOUGITWXXVSL-IUODEOHRSA-N	1	0	364.409	1.920	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)c1cnn(C)c1N	ZINC001092557490	955439414	/nfs/dbraw/zinc/43/94/14/955439414.db2.gz	UWNLHAUNSAYJEJ-CZUORRHYSA-N	1	0	352.442	1.372	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](CCNC(=O)C[C@H]3CC[N@H+](C)C3)C2)n1	ZINC001092531573	955491208	/nfs/dbraw/zinc/49/12/08/955491208.db2.gz	KYBVXNAYHCRQBK-DJIMGWMZSA-N	1	0	370.501	1.577	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1CCNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001092531928	955495609	/nfs/dbraw/zinc/49/56/09/955495609.db2.gz	WIFHAZIEXKKTGU-JFIYKMOQSA-N	1	0	355.486	1.874	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC001092531966	955495959	/nfs/dbraw/zinc/49/59/59/955495959.db2.gz	JLRSSWXQUIZEGV-IUODEOHRSA-N	1	0	364.409	1.920	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1	ZINC001092532635	955499152	/nfs/dbraw/zinc/49/91/52/955499152.db2.gz	LOVOVJYPLAQMSH-GDBMZVCRSA-N	1	0	356.474	1.269	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CCNC(=O)CCCC[NH+](C)C	ZINC001092536383	955516736	/nfs/dbraw/zinc/51/67/36/955516736.db2.gz	YATSXZBCWBNYCC-HZPDHXFCSA-N	1	0	358.490	1.659	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CCNC(=O)C[NH+]1CCC(C)CC1	ZINC001092540888	955537457	/nfs/dbraw/zinc/53/74/57/955537457.db2.gz	OUTHPBPSOUCFOA-IAGOWNOFSA-N	1	0	370.501	1.659	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CCNC(=O)C[N@@H+]1CCC[C@@H]1C	ZINC001092588631	955560884	/nfs/dbraw/zinc/56/08/84/955560884.db2.gz	YPIWSNNWXPTZBO-OWCLPIDISA-N	1	0	356.474	1.411	20	30		FDEDRO
COc1ccc(C#N)cc1CN1C[C@@H](O)[C@H](NC(=O)CCn2cccc2)C1	ZINC001197180687	972109788	/nfs/dbraw/zinc/10/97/88/972109788.db2.gz	BJUDQSLUOHBOCG-QZTJIDSGSA-N	1	0	368.437	1.120	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H](CNC(=O)c3cn(C)nn3)[C@H](C)C2)cc1C#N	ZINC001092580637	955716679	/nfs/dbraw/zinc/71/66/79/955716679.db2.gz	WUAQNHRRRLUCRG-CZUORRHYSA-N	1	0	368.441	1.193	20	30		FDEDRO
CC[C@@H](C(=O)N1C[C@@H](CNc2nccnc2C#N)[C@H](C)C1)[NH+](CC)CC	ZINC001092675142	955983685	/nfs/dbraw/zinc/98/36/85/955983685.db2.gz	VVMYEXRZCWFGJC-INMHGKMJSA-N	1	0	358.490	1.975	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)c1cn[nH]c(=O)c1	ZINC001092702718	956102133	/nfs/dbraw/zinc/10/21/33/956102133.db2.gz	NOVPOHDMCLEVFT-DGCLKSJQSA-N	1	0	357.439	1.613	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccnc(OC)c2)C[C@H]1C	ZINC001092688931	956194690	/nfs/dbraw/zinc/19/46/90/956194690.db2.gz	FYRVYEMEDXEPDS-QRQLOZEOSA-N	1	0	370.497	1.372	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cccnc2C)C[C@H]1C	ZINC001092688935	956194940	/nfs/dbraw/zinc/19/49/40/956194940.db2.gz	GBRGTDKDECDEPV-AHRSYUTCSA-N	1	0	354.498	1.672	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cc(C)ns2)C[C@H]1C	ZINC001092690030	956198881	/nfs/dbraw/zinc/19/88/81/956198881.db2.gz	XJBBICZVCKBSQW-KYJSFNMBSA-N	1	0	360.527	1.733	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)[C@H](C)C1	ZINC001092691251	956204591	/nfs/dbraw/zinc/20/45/91/956204591.db2.gz	CZVMBTPVTXVFDU-MKXGPGLRSA-N	1	0	359.514	1.875	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)c1ccc(=O)n(C)c1	ZINC001092768503	956207352	/nfs/dbraw/zinc/20/73/52/956207352.db2.gz	JBTXIIIUCRKHMA-UKRRQHHQSA-N	1	0	370.478	1.816	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@]2(C)CN(c3ccncc3C#N)CCO2)CC[N@@H+]1C	ZINC001092776778	956413849	/nfs/dbraw/zinc/41/38/49/956413849.db2.gz	BGMBZTPUFSMJPF-IDHHARJASA-N	1	0	357.458	1.005	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)c2cnc3c(c2)NC(=O)CO3)[C@H](C)C1	ZINC001092784818	956448279	/nfs/dbraw/zinc/44/82/79/956448279.db2.gz	YYEWPWAISZBTST-UKRRQHHQSA-N	1	0	358.442	1.676	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CCOCC)c2)C1	ZINC001197274559	972185363	/nfs/dbraw/zinc/18/53/63/972185363.db2.gz	SDTQRZFJBHNXNN-USXIJHARSA-N	1	0	350.463	1.049	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3nc(C)nn3C2)[C@H](C)C1	ZINC001092849294	956492873	/nfs/dbraw/zinc/49/28/73/956492873.db2.gz	BBVKURQAANLDAZ-BYCMXARLSA-N	1	0	351.882	1.586	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@@H](C)C(=O)NC3CC3)C[C@H]2C)cc1	ZINC001092874257	956611382	/nfs/dbraw/zinc/61/13/82/956611382.db2.gz	HEEFQBPTYAGKLM-RVKKMQEKSA-N	1	0	353.466	1.633	20	30		FDEDRO
CC[NH+](CC)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1)C(C)C	ZINC001092866329	956740565	/nfs/dbraw/zinc/74/05/65/956740565.db2.gz	DUAQDFXQTFPMBZ-VUHPKUFZSA-N	1	0	370.501	1.941	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CCC(=O)N1C	ZINC001092907761	956742109	/nfs/dbraw/zinc/74/21/09/956742109.db2.gz	XPKDDWOVBSOFNW-BHIYHBOVSA-N	1	0	353.466	1.343	20	30		FDEDRO
Cc1nc[nH]c(=O)c1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C	ZINC001092903042	956844179	/nfs/dbraw/zinc/84/41/79/956844179.db2.gz	AZVXDVNAFLLKBE-CXAGYDPISA-N	1	0	365.437	1.860	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[N@H+](Cc3cnnn3CC)C[C@H]2C)c1	ZINC001092952853	956887754	/nfs/dbraw/zinc/88/77/54/956887754.db2.gz	SOOSOQROQZDHOH-RHSMWYFYSA-N	1	0	352.442	1.172	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]c3ccc(C)cc3c2C)C1	ZINC001197374313	972228018	/nfs/dbraw/zinc/22/80/18/972228018.db2.gz	IUPUUKZJHKEKAK-QZTJIDSGSA-N	1	0	357.454	1.762	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cc(OC)ccn2)C[C@H]1C	ZINC001092978032	956976262	/nfs/dbraw/zinc/97/62/62/956976262.db2.gz	WEDXWUAPFMGQGX-RGCFKVTRSA-N	1	0	359.470	1.865	20	30		FDEDRO
N#Cc1nccc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+]2CCCCC2)C3)n1	ZINC001092979977	956982764	/nfs/dbraw/zinc/98/27/64/956982764.db2.gz	MSRZEOWBRODMLI-OAGGEKHMSA-N	1	0	354.458	1.450	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCc2cnn(CC)c2)C[C@H]1C	ZINC001092982172	956988050	/nfs/dbraw/zinc/98/80/50/956988050.db2.gz	VZTFOEFCRCOTIU-OWYHZJEWSA-N	1	0	360.502	1.721	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1)[NH+]1CCCC1	ZINC001092982512	956989151	/nfs/dbraw/zinc/98/91/51/956989151.db2.gz	VXMNAUZMVUTMGC-VXIBKDFQSA-N	1	0	368.485	1.695	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)[C@H](C)C1	ZINC001092964682	956997016	/nfs/dbraw/zinc/99/70/16/956997016.db2.gz	NHWBNWLZBRSPPQ-VQHPVUNQSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc(OC)cc2F)C1	ZINC001197411585	972237902	/nfs/dbraw/zinc/23/79/02/972237902.db2.gz	CCZJHUMBPGGEMU-MORSLUCNSA-N	1	0	350.434	1.893	20	30		FDEDRO
Cc1nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)ccc1C#N	ZINC001092994086	957079059	/nfs/dbraw/zinc/07/90/59/957079059.db2.gz	DROQVXRQSCBSGH-ZACQAIPSSA-N	1	0	357.458	1.066	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@@H](CC)C(N)=O)C[C@H]2C)cc1	ZINC001093032086	957246066	/nfs/dbraw/zinc/24/60/66/957246066.db2.gz	WHVGSLMNMOJGIE-KYJSFNMBSA-N	1	0	357.454	1.260	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3cccnc3C)C[C@H]2C)nn1	ZINC001093034720	957251855	/nfs/dbraw/zinc/25/18/55/957251855.db2.gz	BRBNSEYSZWPZLZ-RHSMWYFYSA-N	1	0	354.458	1.665	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3nccnc3C)C[C@H]2C)nn1	ZINC001093034974	957252697	/nfs/dbraw/zinc/25/26/97/957252697.db2.gz	IBJXQHOUNGSVKF-UKRRQHHQSA-N	1	0	355.446	1.060	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@H+]([C@@H](C)c3cnc(C)cn3)C[C@H]2C)nn1	ZINC001093035294	957253481	/nfs/dbraw/zinc/25/34/81/957253481.db2.gz	WUMMWUBKYIVXPT-VNQPRFMTSA-N	1	0	369.473	1.621	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccns3)C[C@H]2C)nn1	ZINC001093040216	957264178	/nfs/dbraw/zinc/26/41/78/957264178.db2.gz	JYZWCLCNMIYROF-ZIAGYGMSSA-N	1	0	360.487	1.809	20	30		FDEDRO
C[N@H+](CC(=O)N[C@]12CCC[C@H]1CN(c1nccnc1C#N)C2)C1CCC1	ZINC001093106727	957479925	/nfs/dbraw/zinc/47/99/25/957479925.db2.gz	XVUCTEBDLLRULP-LIRRHRJNSA-N	1	0	354.458	1.308	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(C(=O)CC)C2)C1	ZINC001197512714	972271488	/nfs/dbraw/zinc/27/14/88/972271488.db2.gz	XGJPXTBFPWANNT-GVDBMIGSSA-N	1	0	351.491	1.153	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N[C@]12CCC[C@H]1CN(c1cnc(C#N)cn1)C2	ZINC001093108683	957543134	/nfs/dbraw/zinc/54/31/34/957543134.db2.gz	SHCLIXADCDLKRZ-KNBMTAEXSA-N	1	0	368.485	1.698	20	30		FDEDRO
CC(C)[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2ccc(C#N)nn2)C1	ZINC001093114355	957553485	/nfs/dbraw/zinc/55/34/85/957553485.db2.gz	XOITUVHCIUUOJX-CHWSQXEVSA-N	1	0	370.379	1.490	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2c[nH]nc2-c2cnn(C)c2)[C@H](C)C1	ZINC001093119564	957571695	/nfs/dbraw/zinc/57/16/95/957571695.db2.gz	CSIJNBJKZVANTR-DGCLKSJQSA-N	1	0	362.865	1.860	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(CNc2ccnc(C#N)n2)C1	ZINC001093124909	957590697	/nfs/dbraw/zinc/59/06/97/957590697.db2.gz	RXEJSHPCEGATMZ-JXFKEZNVSA-N	1	0	370.501	1.543	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1C	ZINC001093138038	957631982	/nfs/dbraw/zinc/63/19/82/957631982.db2.gz	OXGPWCHTACWQBL-SJLPKXTDSA-N	1	0	371.481	1.818	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(OC)nn3)C[C@H]2C)nc1	ZINC001093138343	957632538	/nfs/dbraw/zinc/63/25/38/957632538.db2.gz	XUFXTOZTNOKDCT-GDBMZVCRSA-N	1	0	365.437	1.359	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3cnnn3CC)C[C@H]2C)cn1	ZINC001093142807	957639958	/nfs/dbraw/zinc/63/99/58/957639958.db2.gz	DCLBMWNUIGOVDV-GDBMZVCRSA-N	1	0	352.442	1.172	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccnc(OC)n3)C[C@H]2C)cn1	ZINC001093142889	957640076	/nfs/dbraw/zinc/64/00/76/957640076.db2.gz	HFEYGCMQCAHGIC-GDBMZVCRSA-N	1	0	365.437	1.359	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(Cc3nccc(C)n3)C[C@H]2C)CC1	ZINC001093221866	957848350	/nfs/dbraw/zinc/84/83/50/957848350.db2.gz	FSZCJVZYVGLVTR-VQIMIIECSA-N	1	0	369.513	1.314	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(Cc3cnsn3)C[C@H]2C)CC1	ZINC001093223535	957854437	/nfs/dbraw/zinc/85/44/37/957854437.db2.gz	AYSKJCLHKNRYSN-GDBMZVCRSA-N	1	0	361.515	1.067	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3ccc(F)s3)[C@H](C)C2)C1=O	ZINC001093246432	957918064	/nfs/dbraw/zinc/91/80/64/957918064.db2.gz	VNHDGSRFKVJNEU-MGPQQGTHSA-N	1	0	365.474	1.972	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3cnccc3C)C[C@H]2C)C1=O	ZINC001093270935	957937563	/nfs/dbraw/zinc/93/75/63/957937563.db2.gz	CYTKDLRJACOSCB-LMMKCTJWSA-N	1	0	370.497	1.865	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)C(=O)C(C)(C)C)C[C@H]2C)C1=O	ZINC001093271522	957938554	/nfs/dbraw/zinc/93/85/54/957938554.db2.gz	JGDOJLUHKDWJNV-BZUAXINKSA-N	1	0	363.502	1.463	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CC[NH2+][C@@H]1CCCN(C)C1=O	ZINC001093274233	957943899	/nfs/dbraw/zinc/94/38/99/957943899.db2.gz	MFZNTEPGBHRVFR-CKEIUWERSA-N	1	0	357.458	1.195	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)C3(C(F)F)CC3)C[C@H]2C)C1=O	ZINC001093279303	957952337	/nfs/dbraw/zinc/95/23/37/957952337.db2.gz	XSUVSZKQLSBBKY-KFWWJZLASA-N	1	0	369.456	1.893	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3csnn3)C[C@H]2C)C1=O	ZINC001093280798	957957021	/nfs/dbraw/zinc/95/70/21/957957021.db2.gz	LGTDNPNRLIZGPK-MGPQQGTHSA-N	1	0	363.487	1.013	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3oncc3C)C[C@H]2C)C1=O	ZINC001093289304	957981285	/nfs/dbraw/zinc/98/12/85/957981285.db2.gz	PNTHXFGYRCWJCU-OAGGEKHMSA-N	1	0	360.458	1.458	20	30		FDEDRO
COCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)[C@@H]1C(C)C	ZINC001093416537	958037509	/nfs/dbraw/zinc/03/75/09/958037509.db2.gz	PNPDKPOFQFCHRD-RMVXJAJNSA-N	1	0	371.481	1.671	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnsn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093432116	958057872	/nfs/dbraw/zinc/05/78/72/958057872.db2.gz	APWYWNZPOJKGQV-XKVFNRALSA-N	1	0	370.906	1.870	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3CCOCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093433305	958060077	/nfs/dbraw/zinc/06/00/77/958060077.db2.gz	BZDUESMSEOQKRB-HNBVOPMISA-N	1	0	350.503	1.955	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)C#CC2CC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1nccn1C)C2	ZINC001093443953	958088297	/nfs/dbraw/zinc/08/82/97/958088297.db2.gz	WZKJUMYODREEGE-DEPWHIHDSA-N	1	0	370.497	1.300	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(OC)ncn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093445876	958092767	/nfs/dbraw/zinc/09/27/67/958092767.db2.gz	DMJQPAGRQBPZCJ-FXRXJOCMSA-N	1	0	360.458	1.251	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn4c(n3)CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093447540	958100044	/nfs/dbraw/zinc/10/00/44/958100044.db2.gz	XHZVGPUIPUOSRH-BIJSTVTOSA-N	1	0	358.486	1.595	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(CC)ccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093447400	958100369	/nfs/dbraw/zinc/10/03/69/958100369.db2.gz	VGGHYFWGXNKQDQ-BNDYYXHWSA-N	1	0	355.482	1.857	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc4cccn4cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093448824	958112065	/nfs/dbraw/zinc/11/20/65/958112065.db2.gz	CXCISWROQUQPJQ-XCJLJZCSSA-N	1	0	366.465	1.547	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cnccc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093451458	958132385	/nfs/dbraw/zinc/13/23/85/958132385.db2.gz	ULYXJSBIUSIMJW-VURPSTOHSA-N	1	0	355.482	1.532	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc4cn[nH]c43)[C@H]2C(C)C)C[C@H]1O	ZINC001093460252	958188952	/nfs/dbraw/zinc/18/89/52/958188952.db2.gz	RAVGLPHOFFHGFK-PLOVASNDSA-N	1	0	366.465	1.776	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C3)[C@@H]2C(C)C)CC1	ZINC001093461239	958191969	/nfs/dbraw/zinc/19/19/69/958191969.db2.gz	GTQIZKZXZAJOKE-HBXLWWENSA-N	1	0	363.502	1.184	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc4nonc4c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093462116	958194072	/nfs/dbraw/zinc/19/40/72/958194072.db2.gz	NFKXHIGKDRBQKJ-XSYGEPLQSA-N	1	0	368.437	1.436	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccnc3OC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093462196	958194134	/nfs/dbraw/zinc/19/41/34/958194134.db2.gz	NSJILLNOKLVDAK-VIPLHTEESA-N	1	0	357.454	1.303	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ncccc3OC)[C@H]2C(C)C)C[C@H]1O	ZINC001093463705	958197005	/nfs/dbraw/zinc/19/70/05/958197005.db2.gz	YGAQFYFAVMJCDA-JYWFKMLOSA-N	1	0	371.481	1.232	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH]c(=O)cc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093465645	958205135	/nfs/dbraw/zinc/20/51/35/958205135.db2.gz	KUDNVXIKEXSDTL-ZTRFORPCSA-N	1	0	357.454	1.309	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH]c(=O)cc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093468237	958218410	/nfs/dbraw/zinc/21/84/10/958218410.db2.gz	YAADZYCGPSVDSS-QQTQMKHKSA-N	1	0	359.470	1.861	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C(C)C)nn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093468990	958220961	/nfs/dbraw/zinc/22/09/61/958220961.db2.gz	CZTHCFWIHLWHIJ-KLICCBINSA-N	1	0	361.490	1.625	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093470212	958227151	/nfs/dbraw/zinc/22/71/51/958227151.db2.gz	RFZXJCKTVFOONE-MMTVNHQJSA-N	1	0	367.881	1.147	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3sccc3OC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093473005	958242827	/nfs/dbraw/zinc/24/28/27/958242827.db2.gz	OCYXKQWVEXLERM-BCXHYRKLSA-N	1	0	362.495	1.970	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3cnccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093474519	958248442	/nfs/dbraw/zinc/24/84/42/958248442.db2.gz	VRRQLJVDRUAJAN-LFGUQSLTSA-N	1	0	356.470	1.009	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccn4nccc34)[C@@H]2C(C)C)C[C@H]1O	ZINC001093453025	958261659	/nfs/dbraw/zinc/26/16/59/958261659.db2.gz	SEECAQIJCSFWTO-XLBJILASSA-N	1	0	366.465	1.547	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3coc(OC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093456010	958274999	/nfs/dbraw/zinc/27/49/99/958274999.db2.gz	TVRHBXNRUKBMLB-NVQRDWNXSA-N	1	0	363.458	1.839	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3coc(OC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093456012	958275736	/nfs/dbraw/zinc/27/57/36/958275736.db2.gz	TVRHBXNRUKBMLB-ZIGSKRJUSA-N	1	0	363.458	1.839	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@H]2C(C)C)C[C@H]1O	ZINC001093456006	958275948	/nfs/dbraw/zinc/27/59/48/958275948.db2.gz	TUJSTKOFHCYPEI-JUPQBNGJSA-N	1	0	368.905	1.597	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)cc(C)[nH]c3=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001093456391	958277487	/nfs/dbraw/zinc/27/74/87/958277487.db2.gz	ZOBRVKKWMBMTHW-PZPFTHLGSA-N	1	0	371.481	1.617	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(CC)[nH]c(=O)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093456623	958278815	/nfs/dbraw/zinc/27/88/15/958278815.db2.gz	GIMBEIKXCIMERR-REHHDOPLSA-N	1	0	371.481	1.563	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(CC)n(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093478467	958295149	/nfs/dbraw/zinc/29/51/49/958295149.db2.gz	CQXAPHUCHKZILR-MLYOOKFZSA-N	1	0	358.486	1.195	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3csc(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093478579	958295159	/nfs/dbraw/zinc/29/51/59/958295159.db2.gz	RJPSCTONYJMCSG-FPAYPSAMSA-N	1	0	361.511	1.593	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCN3CCCC3=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001093480528	958303328	/nfs/dbraw/zinc/30/33/28/958303328.db2.gz	LDWIHGNODQIKRU-XNFNUYLZSA-N	1	0	363.502	1.151	20	30		FDEDRO
C=C(C)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@]23C[C@H]2COC3)CC1	ZINC001093487939	958310208	/nfs/dbraw/zinc/31/02/08/958310208.db2.gz	XEIZNIIGHMEVJZ-ROPHOZQPSA-N	1	0	359.514	1.739	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CCc3ccco3)C[C@H]2C)C1=O	ZINC001093634300	958395484	/nfs/dbraw/zinc/39/54/84/958395484.db2.gz	IIDKGFAEULHKKS-NUJGCVRESA-N	1	0	359.470	1.683	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1C	ZINC001093647788	958424103	/nfs/dbraw/zinc/42/41/03/958424103.db2.gz	FGQIPCURBGTBSS-CZUORRHYSA-N	1	0	353.426	1.788	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3cnc(C)s3)C[C@H]2C)C1=O	ZINC001093669304	958473253	/nfs/dbraw/zinc/47/32/53/958473253.db2.gz	WIKXBOHINPEXMM-YUELXQCFSA-N	1	0	362.499	1.536	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3ncoc3CC)C[C@H]2C)C1=O	ZINC001093685852	958501486	/nfs/dbraw/zinc/50/14/86/958501486.db2.gz	QVHZGBXFBUJNOK-KFWWJZLASA-N	1	0	360.458	1.322	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C(=O)N(C)C)c2)[C@H](C)C1	ZINC001093673769	958518964	/nfs/dbraw/zinc/51/89/64/958518964.db2.gz	XHKMWTNTRGTPNN-HDMKZQKVSA-N	1	0	356.470	1.732	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093690281	958548278	/nfs/dbraw/zinc/54/82/78/958548278.db2.gz	QRPQTQHYQGTZGG-ATZDWAIDSA-N	1	0	356.470	1.073	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3cnccc3C)C[C@H]2C)C1=O	ZINC001093690693	958549461	/nfs/dbraw/zinc/54/94/61/958549461.db2.gz	BWHVIDWLZDFLMS-JFIYKMOQSA-N	1	0	356.470	1.475	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3cc(C)sn3)C[C@H]2C)C1=O	ZINC001093739840	958655098	/nfs/dbraw/zinc/65/50/98/958655098.db2.gz	ILHHDNIDKDAIEK-BPLDGKMQSA-N	1	0	362.499	1.536	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001093742751	958751221	/nfs/dbraw/zinc/75/12/21/958751221.db2.gz	AFPJAIWGOQJWPM-NVXWUHKLSA-N	1	0	359.470	1.934	20	30		FDEDRO
CCN1C[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cccc(C#N)c3)[C@H](C)C2)CC1=O	ZINC001093804330	958838281	/nfs/dbraw/zinc/83/82/81/958838281.db2.gz	HGIHOHDAZZRDPF-ATZDWAIDSA-N	1	0	368.481	1.611	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1)S(C)(=O)=O	ZINC001093867654	959047743	/nfs/dbraw/zinc/04/77/43/959047743.db2.gz	WOGNMJNRVHMKBF-JKIFEVAISA-N	1	0	363.483	1.175	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C[NH2+]Cc2cnn(C)n2)[C@H](C)C1	ZINC001093870542	959056725	/nfs/dbraw/zinc/05/67/25/959056725.db2.gz	ULUQQMYTROGLLW-HZPDHXFCSA-N	1	0	369.469	1.878	20	30		FDEDRO
CCN1CCOC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1	ZINC001093880123	959100351	/nfs/dbraw/zinc/10/03/51/959100351.db2.gz	AWRYGDMMJXEXFY-AHRSYUTCSA-N	1	0	370.497	1.463	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CCc3ccncc3)C[C@H]2C)C1=O	ZINC001093880310	959101635	/nfs/dbraw/zinc/10/16/35/959101635.db2.gz	PGYLDTGWDSBAPW-QRQLOZEOSA-N	1	0	370.497	1.485	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C[C@H]2C)cc1C#N	ZINC001093975280	959520121	/nfs/dbraw/zinc/52/01/21/959520121.db2.gz	HEVFBHJFIYRTKF-REPJOTQGSA-N	1	0	369.465	1.643	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]C[C@@H]3CCS(=O)(=O)C3)[C@H](C)C2)C1	ZINC001094026234	959547466	/nfs/dbraw/zinc/54/74/66/959547466.db2.gz	ANGRSWJGCWUERD-OWCLPIDISA-N	1	0	354.516	1.462	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3nnc(CC)o3)[C@H](C)C2)c1	ZINC001094027671	959548470	/nfs/dbraw/zinc/54/84/70/959548470.db2.gz	ANJURWIDFPZHMN-CZUORRHYSA-N	1	0	353.426	1.506	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccccc2C(N)=O)C1	ZINC001197799578	972446319	/nfs/dbraw/zinc/44/63/19/972446319.db2.gz	MSTIZXHKDVFWRA-BMGDILEWSA-N	1	0	359.470	1.234	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nc(C)no2)[C@H](C)C1	ZINC001094099402	959780575	/nfs/dbraw/zinc/78/05/75/959780575.db2.gz	ARHGKWXEJDGIAZ-KBEGMRNHSA-N	1	0	362.474	1.933	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccn(C)c(=O)c2)[C@H](C)C1	ZINC001094105542	959887189	/nfs/dbraw/zinc/88/71/89/959887189.db2.gz	NSZIDXHIHDMZGU-LBKNJMOBSA-N	1	0	373.497	1.551	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3c(C)nnn3CC)[C@H](C)C2)nc1	ZINC001094171931	959968969	/nfs/dbraw/zinc/96/89/69/959968969.db2.gz	GMKFRVMEZFMIOS-RHSMWYFYSA-N	1	0	366.469	1.481	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]Cc2cnn(C)c2)[C@H](C)C1	ZINC001094174089	959975987	/nfs/dbraw/zinc/97/59/87/959975987.db2.gz	RJEAJBUIYKWFCE-NVXWUHKLSA-N	1	0	367.453	1.325	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)c3nncn3C)[C@H](C)C2)cn1	ZINC001094174764	959979956	/nfs/dbraw/zinc/97/99/56/959979956.db2.gz	SADRHDWEQQUIFY-IJEWVQPXSA-N	1	0	352.442	1.250	20	30		FDEDRO
Cn1cncc1C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C#N)c[nH]3)CCC[C@@H]12	ZINC001094387544	960332392	/nfs/dbraw/zinc/33/23/92/960332392.db2.gz	QHHCXGRECRUWDE-IEBWSBKVSA-N	1	0	352.442	1.794	20	30		FDEDRO
N#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCn2cncn2)CC3)[nH]1	ZINC001094396496	960347320	/nfs/dbraw/zinc/34/73/20/960347320.db2.gz	XDOPOCAUUQVGNX-SJLPKXTDSA-N	1	0	353.430	1.152	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3c3ncccn3)CCC[C@@H]12	ZINC001094438453	960484242	/nfs/dbraw/zinc/48/42/42/960484242.db2.gz	GUKOTAFYBVJWEQ-MBOZVWFJSA-N	1	0	353.470	1.439	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4ccccn4c3=O)CCC[C@@H]12	ZINC001094449447	960519778	/nfs/dbraw/zinc/51/97/78/960519778.db2.gz	PKTYCTUPTBQIHN-DYESRHJHSA-N	1	0	364.449	1.692	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3sccc3-n3cnnn3)CCC[C@@H]12	ZINC001094457172	960550980	/nfs/dbraw/zinc/55/09/80/960550980.db2.gz	VRHFUXSTCWWYCU-RHSMWYFYSA-N	1	0	358.471	1.884	20	30		FDEDRO
N#Cc1ccc(F)c(C[N@@H+]2CC[C@@]3(CNC(=O)c4cn[nH]n4)CCC[C@@H]23)c1	ZINC001094457105	960551011	/nfs/dbraw/zinc/55/10/11/960551011.db2.gz	RHQBBDOULCEROA-IEBWSBKVSA-N	1	0	368.416	1.990	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)C3CCN(C(=O)C(C)C)CC3)CCC[C@@H]12	ZINC001094487212	960577990	/nfs/dbraw/zinc/57/79/90/960577990.db2.gz	PSOVQWCIFBZILV-WIYYLYMNSA-N	1	0	359.514	1.875	20	30		FDEDRO
C[N@H+](CCC(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1)Cc1ccccc1	ZINC001181137367	960611007	/nfs/dbraw/zinc/61/10/07/960611007.db2.gz	OSMYFPSDRHXJOO-UHFFFAOYSA-N	1	0	365.441	1.145	20	30		FDEDRO
O=C(NC[C@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2)[C@H]1CNC(=O)N1	ZINC001094501754	960629761	/nfs/dbraw/zinc/62/97/61/960629761.db2.gz	POKKPSDXZWQWQV-DBXWQHBBSA-N	1	0	366.465	1.080	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4nnnn4CC3)CCC[C@@H]12	ZINC001094518339	960713159	/nfs/dbraw/zinc/71/31/59/960713159.db2.gz	CRFRLWCHVPFSHQ-FRQCXROJSA-N	1	0	358.490	1.563	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4nnnn4CC3)CCC[C@@H]12	ZINC001094519167	960714130	/nfs/dbraw/zinc/71/41/30/960714130.db2.gz	XFSULBGJQPIOJO-GPMSIDNRSA-N	1	0	358.490	1.563	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCn1cncn1)CC2	ZINC001094532780	960744837	/nfs/dbraw/zinc/74/48/37/960744837.db2.gz	OLUUMLHIHCUXKC-HLNWXESRSA-N	1	0	373.501	1.620	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4c(cnn4C)c3)CCC[C@@H]12	ZINC001094545166	960793089	/nfs/dbraw/zinc/79/30/89/960793089.db2.gz	QZPMFJWNGYMUBM-YLJYHZDGSA-N	1	0	351.454	1.966	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccnc4nc(C)nn43)CCC[C@@H]12	ZINC001094559998	960809261	/nfs/dbraw/zinc/80/92/61/960809261.db2.gz	JNBVBFWAAWCGET-VQIMIIECSA-N	1	0	354.458	1.983	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(=O)n(CCC)n3)CCC[C@@H]12	ZINC001094575608	960855470	/nfs/dbraw/zinc/85/54/70/960855470.db2.gz	WWXHDIMXMMTELC-YLJYHZDGSA-N	1	0	356.470	1.651	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccccc3-n3cnnn3)CCC[C@@H]12	ZINC001094575722	960858979	/nfs/dbraw/zinc/85/89/79/960858979.db2.gz	BWAXWJRXUVFLOV-UYAOXDASSA-N	1	0	364.453	1.660	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C[C@@]1(C)CNCC#N	ZINC001181499381	960877157	/nfs/dbraw/zinc/87/71/57/960877157.db2.gz	DGMAVHAZLYYRPW-PHXBYCTMSA-N	1	0	362.518	1.331	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NC2CC2)C1	ZINC001181525123	960905275	/nfs/dbraw/zinc/90/52/75/960905275.db2.gz	FEDQALYCQYTAIB-DFYYWFRZSA-N	1	0	363.502	1.320	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC(=O)N(C2C[NH+](CC3CC3)C2)C1	ZINC001094791838	961174638	/nfs/dbraw/zinc/17/46/38/961174638.db2.gz	JAXFBVAVMJMNKG-IEZWGBDMSA-N	1	0	361.486	1.169	20	30		FDEDRO
C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1	ZINC000773956456	961238345	/nfs/dbraw/zinc/23/83/45/961238345.db2.gz	WSOWQZZDXWQCCM-AWEZNQCLSA-N	1	0	358.442	1.304	20	30		FDEDRO
CC(C)(C)OC(=O)[C@@]12COC[C@@H]1C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C2	ZINC001171861724	961333349	/nfs/dbraw/zinc/33/33/49/961333349.db2.gz	FCGXKWNBFUAXSW-QKLQHJQFSA-N	1	0	358.438	1.882	20	30		FDEDRO
COc1ccc(C#CC(=O)N[C@H]2CC[C@H](NC(=O)C[NH+](C)C)CC2)cc1	ZINC001182050378	961380872	/nfs/dbraw/zinc/38/08/72/961380872.db2.gz	AMIABWGRWFBFRI-QAQDUYKDSA-N	1	0	357.454	1.152	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O	ZINC001182101545	961469769	/nfs/dbraw/zinc/46/97/69/961469769.db2.gz	SAOIGBIUNUHGAA-WBVHZDCISA-N	1	0	365.499	1.608	20	30		FDEDRO
CNC(=O)CO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@@H](C)Cc1ccc(C#N)cc1)C2	ZINC001172304726	961616530	/nfs/dbraw/zinc/61/65/30/961616530.db2.gz	PGQFZEKSZBEHNG-LRQRDZAKSA-N	1	0	371.481	1.875	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC001172309721	961617594	/nfs/dbraw/zinc/61/75/94/961617594.db2.gz	WOHCIDIEEQMLHD-KXBFYZLASA-N	1	0	364.449	1.292	20	30		FDEDRO
CCCCCCC[C@H](CC)[NH2+]CC(=O)N1CCC[C@H]1C(=O)NCC(N)=O	ZINC001172356217	961641765	/nfs/dbraw/zinc/64/17/65/961641765.db2.gz	GUVCZNGKADSYRK-HOTGVXAUSA-N	1	0	368.522	1.308	20	30		FDEDRO
C[C@@H](CCCC#N)[NH2+][C@H]1CCS(=O)(=O)C12CN(C(=O)OC(C)(C)C)C2	ZINC001172479716	961667001	/nfs/dbraw/zinc/66/70/01/961667001.db2.gz	KDTBZZZAZKHZST-KBPBESRZSA-N	1	0	371.503	1.835	20	30		FDEDRO
C[C@H](CCCC#N)[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)c3cnccn3)[C@H]2C1	ZINC001172499804	961687590	/nfs/dbraw/zinc/68/75/90/961687590.db2.gz	UEHHHTQZLCEIRM-MUQADHOPSA-N	1	0	357.458	1.626	20	30		FDEDRO
C=CCN1CCN(C)C2(CC[NH+]([C@H]3CCC[C@@H](C(=O)OC)C3)CC2)C1=O	ZINC001172620392	961697312	/nfs/dbraw/zinc/69/73/12/961697312.db2.gz	YMBBQTPXHGMNLR-SJORKVTESA-N	1	0	363.502	1.513	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCCC2)C[C@H]1C#N	ZINC001172970892	961856682	/nfs/dbraw/zinc/85/66/82/961856682.db2.gz	JNAFDCSBUCEJMU-GJZGRUSLSA-N	1	0	350.463	1.880	20	30		FDEDRO
CC[C@H](C)[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C(=O)NO	ZINC001172978479	961861804	/nfs/dbraw/zinc/86/18/04/961861804.db2.gz	MMWAGSBEXHGIOS-XUXIUFHCSA-N	1	0	354.451	1.788	20	30		FDEDRO
C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)CCc2cccc(C#N)c2)CC1	ZINC001182343426	961871354	/nfs/dbraw/zinc/87/13/54/961871354.db2.gz	SAXCDQXXVVUKJV-IYARVYRRSA-N	1	0	356.470	1.596	20	30		FDEDRO
CC[NH+](CC)CCn1cc(Nc2c(C#N)cnn2-c2ncccn2)cn1	ZINC001203252799	961879621	/nfs/dbraw/zinc/87/96/21/961879621.db2.gz	ZIXWYEANRVVINH-UHFFFAOYSA-N	1	0	351.418	1.816	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH+]3CCC4(CC(=O)CO4)CC3)CC2)cc1	ZINC001173430818	962148531	/nfs/dbraw/zinc/14/85/31/962148531.db2.gz	ZZTQSCXPWZJVFM-UHFFFAOYSA-N	1	0	367.449	1.987	20	30		FDEDRO
CC(=O)N1CC[N@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C[C@H]1C	ZINC001173433879	962152004	/nfs/dbraw/zinc/15/20/04/962152004.db2.gz	AGJDFALTXKOTSA-OAHLLOKOSA-N	1	0	354.454	1.715	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1	ZINC001173432967	962152036	/nfs/dbraw/zinc/15/20/36/962152036.db2.gz	KAHASGYRZCWQTP-SFHVURJKSA-N	1	0	354.454	1.715	20	30		FDEDRO
COC(=O)[C@H]1C[N@@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CCCO1	ZINC001173434045	962156469	/nfs/dbraw/zinc/15/64/69/962156469.db2.gz	DGTSKEGAIXNZEV-GOSISDBHSA-N	1	0	371.437	1.427	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2C)nc1	ZINC000957499517	1013319497	/nfs/dbraw/zinc/31/94/97/1013319497.db2.gz	LPIXPJJDZNDFRO-ZTFGCOKTSA-N	1	0	356.470	1.226	20	30		FDEDRO
C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc(S(N)(=O)=O)cc1C#N	ZINC000774523784	962348814	/nfs/dbraw/zinc/34/88/14/962348814.db2.gz	IJEVZXHBNZDZDB-MCIONIFRSA-N	1	0	350.488	1.984	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@H]1C	ZINC001182669280	962380614	/nfs/dbraw/zinc/38/06/14/962380614.db2.gz	KKPKVJYGBVGVBM-WOCWXWTJSA-N	1	0	360.502	1.800	20	30		FDEDRO
CC1(C#N)CCC([N@@H+]2C[C@@H](NC(=O)c3cnccn3)[C@@H]3OCCC[C@@H]32)CC1	ZINC001173595345	962470033	/nfs/dbraw/zinc/47/00/33/962470033.db2.gz	WSSLVCJYWYYWMM-GPCAFAEISA-N	1	0	369.469	1.911	20	30		FDEDRO
N#CC1(NC(=O)Cc2cn3cccnc3n2)CC[NH+](Cc2ccccc2)CC1	ZINC001182751215	962477516	/nfs/dbraw/zinc/47/75/16/962477516.db2.gz	NOKMODCQQYWZTL-UHFFFAOYSA-N	1	0	374.448	1.946	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@H](C)c3ccc(C#N)cc3)CC[C@@H]2C1	ZINC001182791323	962521808	/nfs/dbraw/zinc/52/18/08/962521808.db2.gz	HQTCXHDTVZURMO-NSISKUIASA-N	1	0	371.481	1.857	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NC(C)C)C1	ZINC001182869770	962615513	/nfs/dbraw/zinc/61/55/13/962615513.db2.gz	VIPJGUCDXPXMAD-NDUPCHFUSA-N	1	0	365.518	1.566	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCn2cncn2)C1	ZINC001182869527	962615684	/nfs/dbraw/zinc/61/56/84/962615684.db2.gz	OJBKDUWUGXRYKB-VUHPKUFZSA-N	1	0	361.490	1.334	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1	ZINC000957522163	1013367825	/nfs/dbraw/zinc/36/78/25/1013367825.db2.gz	OFJVPVXAQKGRKG-NSISKUIASA-N	1	0	367.493	1.658	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)n1c(C(N)=O)c(N)sc1=Nc1ccccc1	ZINC001183038759	962751305	/nfs/dbraw/zinc/75/13/05/962751305.db2.gz	IDZFQGQPUAFAFH-UHFFFAOYSA-N	1	0	371.466	1.755	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1C[C@H]2[C@H](CC[C@@]23N=C(C)N(CC)C3=O)C1	ZINC001183043286	962754493	/nfs/dbraw/zinc/75/44/93/962754493.db2.gz	OTQGTOKNMMIXEG-FUHIMQAGSA-N	1	0	358.486	1.526	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CCCn2cnc(Cn3cccn3)c2C1	ZINC001183043290	962755065	/nfs/dbraw/zinc/75/50/65/962755065.db2.gz	OUPDQBFSQKCYAG-UHFFFAOYSA-N	1	0	354.458	1.512	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CCN(C(=O)c2ccc(OC)cc2)CC1	ZINC001183045130	962758480	/nfs/dbraw/zinc/75/84/80/962758480.db2.gz	UNQJXBAWCVIZOY-UHFFFAOYSA-N	1	0	357.454	1.632	20	30		FDEDRO
C=CCOCC[NH2+]C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1	ZINC001183053124	962786366	/nfs/dbraw/zinc/78/63/66/962786366.db2.gz	HXXFVLMCEOSAAN-OAHLLOKOSA-N	1	0	355.479	1.542	20	30		FDEDRO
C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)C1(c2ccccc2C#N)CC1	ZINC001183292064	962956941	/nfs/dbraw/zinc/95/69/41/962956941.db2.gz	JEJSZIQBFSIPJV-RBUKOAKNSA-N	1	0	352.482	1.827	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1CCC	ZINC001175156530	963060690	/nfs/dbraw/zinc/06/06/90/963060690.db2.gz	AJWFEMXCXDCKOA-ARFHVFGLSA-N	1	0	366.506	1.699	20	30		FDEDRO
C=CCN1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCOCC2)CC1	ZINC001183522486	963070185	/nfs/dbraw/zinc/07/01/85/963070185.db2.gz	LSSQJXIIWREVAV-INIZCTEOSA-N	1	0	367.490	1.637	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)N1CCCC1=O)C2	ZINC001111502326	963073598	/nfs/dbraw/zinc/07/35/98/963073598.db2.gz	AZKIUPMFEOAEAC-VXNCWWDNSA-N	1	0	361.486	1.005	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCCC(C)(C)C	ZINC001110182962	963096728	/nfs/dbraw/zinc/09/67/28/963096728.db2.gz	GKWCPHUWVBBLQQ-NCOADZHNSA-N	1	0	365.518	1.851	20	30		FDEDRO
CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H](C#N)Cc2ccc(O)cc2)CC1	ZINC001183608549	963140693	/nfs/dbraw/zinc/14/06/93/963140693.db2.gz	JWGOQUAUEZNTIY-QGZVFWFLSA-N	1	0	357.454	1.788	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)[nH]c(C2CC2)n1	ZINC001110184447	963142987	/nfs/dbraw/zinc/14/29/87/963142987.db2.gz	KELVNSARZLUIFN-IEAZIUSSSA-N	1	0	372.469	1.872	20	30		FDEDRO
COC(=O)n1ncc(C#N)c1NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC001183575921	963147981	/nfs/dbraw/zinc/14/79/81/963147981.db2.gz	RNXDUFZRYHKHTK-CQSZACIVSA-N	1	0	353.382	1.830	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=O)NCCC	ZINC001175664211	963260565	/nfs/dbraw/zinc/26/05/65/963260565.db2.gz	RIPLBNMYEPSMBU-RYRKJORJSA-N	1	0	353.507	1.758	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)N(C)CC	ZINC001175664246	963260907	/nfs/dbraw/zinc/26/09/07/963260907.db2.gz	RYTKNBFUGYYNOB-BQFCYCMXSA-N	1	0	353.507	1.711	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[N@@H+](CC(N)=O)C2CCOCC2)cc1Cl	ZINC001175780879	963287563	/nfs/dbraw/zinc/28/75/63/963287563.db2.gz	CBSRWUWVVLHGMD-UHFFFAOYSA-N	1	0	364.833	1.507	20	30		FDEDRO
C[NH+](C)C[C@H]1COCCN1C(=O)[C@H]1CCCCN1Cc1ccccc1C#N	ZINC001183830567	963301791	/nfs/dbraw/zinc/30/17/91/963301791.db2.gz	FPOMEVSLBOFEPR-VQTJNVASSA-N	1	0	370.497	1.702	20	30		FDEDRO
C=C[C@H]1C[C@]1(NC(=O)C1CC[NH+](Cc2ccccn2)CC1)C(=O)OCC	ZINC001177214565	963707664	/nfs/dbraw/zinc/70/76/64/963707664.db2.gz	NELLYTKMMUDHGV-OXJNMPFZSA-N	1	0	357.454	1.918	20	30		FDEDRO
CC(C)(C)OC(=O)N(CCC#N)CC(=O)n1ccc([C@H]2CCC[NH2+]2)nc1=N	ZINC001184853006	963722471	/nfs/dbraw/zinc/72/24/71/963722471.db2.gz	ABKPEIBLJACXSG-CYBMUJFWSA-N	1	0	374.445	1.578	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3ccnn3)c1)C2	ZINC001110203502	963759222	/nfs/dbraw/zinc/75/92/22/963759222.db2.gz	CRWGUJJWSPPMMA-NEWSRXKRSA-N	1	0	367.453	1.805	20	30		FDEDRO
O=C(C#Cc1cccnc1)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1	ZINC001177777127	963949361	/nfs/dbraw/zinc/94/93/61/963949361.db2.gz	LGPGZTUWKIOFRY-UHFFFAOYSA-N	1	0	373.420	1.146	20	30		FDEDRO
C#CCN(C(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)C1CCCC1	ZINC000774917613	964065541	/nfs/dbraw/zinc/06/55/41/964065541.db2.gz	HBAGVPYNLSBNPW-IBGZPJMESA-N	1	0	355.482	1.680	20	30		FDEDRO
C#CCC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)C2)nn1	ZINC001185974838	964243359	/nfs/dbraw/zinc/24/33/59/964243359.db2.gz	QDIAMQXPVOJPLU-OTWHNJEPSA-N	1	0	371.485	1.370	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)n2nc(C)sc2n1	ZINC001110377178	964349658	/nfs/dbraw/zinc/34/96/58/964349658.db2.gz	BGXHBKSPMPVTOJ-KFWWJZLASA-N	1	0	373.482	1.647	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CCCC(N)=O)C1	ZINC001186203728	964351872	/nfs/dbraw/zinc/35/18/72/964351872.db2.gz	SFSIMKOIEKXECL-SJLPKXTDSA-N	1	0	359.445	1.636	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2cc(C)no2)C1	ZINC001186243712	964370743	/nfs/dbraw/zinc/37/07/43/964370743.db2.gz	PTMWYAVBVJLJPV-KEYYUXOJSA-N	1	0	362.430	1.093	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCCCS(N)(=O)=O)C2	ZINC001110223153	964381423	/nfs/dbraw/zinc/38/14/23/964381423.db2.gz	CZVGNIJSKRWZGO-PMPSAXMXSA-N	1	0	357.520	1.523	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC2)CC12CCOCC2	ZINC001186521397	964546015	/nfs/dbraw/zinc/54/60/15/964546015.db2.gz	DMFHPFUCRFMZMD-CEXWTWQISA-N	1	0	360.498	1.527	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCO[C@H]2C(=C)C)CC12CCOCC2	ZINC001186530742	964550195	/nfs/dbraw/zinc/55/01/95/964550195.db2.gz	POAJDICDHIIZJA-QYZOEREBSA-N	1	0	360.498	1.836	20	30		FDEDRO
C=CCOc1ccc(/C=C\C(=O)N2CC([NH2+][C@H]3CCOC3)C2)cc1OC	ZINC001179007794	964620215	/nfs/dbraw/zinc/62/02/15/964620215.db2.gz	COLRIDAZYHDWKW-WRLNGNIRSA-N	1	0	358.438	1.863	20	30		FDEDRO
C#Cc1cc(NC(=O)C2CC[NH+](C3CCN(C(C)=O)CC3)CC2)ccn1	ZINC001179011032	964628297	/nfs/dbraw/zinc/62/82/97/964628297.db2.gz	SJVMWOCBZGYGQK-UHFFFAOYSA-N	1	0	354.454	1.146	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)COCC)[C@@H]2C1	ZINC001186733750	964693698	/nfs/dbraw/zinc/69/36/98/964693698.db2.gz	SDMQOZVBXYANMB-IXDOHACOSA-N	1	0	351.491	1.369	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2CC)[C@H]1C	ZINC001179197325	964763565	/nfs/dbraw/zinc/76/35/65/964763565.db2.gz	ZASPFDUNGKAOSS-MHORFTMASA-N	1	0	365.518	1.805	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@H](C)C(=O)NC1CCCCC1	ZINC001110384946	964781218	/nfs/dbraw/zinc/78/12/18/964781218.db2.gz	FVJRUDONVDJFKW-DDBAPUKQSA-N	1	0	363.502	1.748	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2nnc(C3CC3)s2)C1	ZINC000962320606	1013526455	/nfs/dbraw/zinc/52/64/55/1013526455.db2.gz	APYXZOQHZVVFRT-AXVKAWJUSA-N	1	0	362.499	1.991	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COc1cccc(C)c1	ZINC001110385035	964782941	/nfs/dbraw/zinc/78/29/41/964782941.db2.gz	JCUMRSNBHKVBFX-BWPNAZKDSA-N	1	0	374.481	1.659	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]CC1CC(NC(=O)[C@H]2OCC[C@H]2C)C1	ZINC000962320426	1013529075	/nfs/dbraw/zinc/52/90/75/1013529075.db2.gz	YPKJSLKUBHHGBC-HGZNSMBASA-N	1	0	357.454	1.976	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2cn(C(C)(C)C)nn2)C1	ZINC000962328119	1013539349	/nfs/dbraw/zinc/53/93/49/1013539349.db2.gz	JEVGJKJHJQOFHC-MMADZMRASA-N	1	0	361.490	1.609	20	30		FDEDRO
COCC#CC(=O)N(Cc1ccc(C(=O)OC)cc1)[C@H]1CC[C@H]([NH3+])CC1	ZINC001187138844	965037472	/nfs/dbraw/zinc/03/74/72/965037472.db2.gz	IQSWQDSHGWNZBO-IYARVYRRSA-N	1	0	358.438	1.722	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](CCn3nc(C)nc3C)C[C@H]21	ZINC001187226604	965102404	/nfs/dbraw/zinc/10/24/04/965102404.db2.gz	WXPCMCDKOONUPK-JCGIZDLHSA-N	1	0	361.490	1.409	20	30		FDEDRO
CC(C)[NH+]1CCN(CC(=O)Nc2ncc(C#N)cc2Br)CC1	ZINC001180342907	965234118	/nfs/dbraw/zinc/23/41/18/965234118.db2.gz	LLMPTEQQQMAWAV-UHFFFAOYSA-N	1	0	366.263	1.680	20	30		FDEDRO
CCN(C(=O)CN1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1)C1CC1	ZINC001187465191	965376245	/nfs/dbraw/zinc/37/62/45/965376245.db2.gz	AOHDVONJHXAAPK-WMLDXEAASA-N	1	0	355.442	1.044	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]21	ZINC001187473111	965386251	/nfs/dbraw/zinc/38/62/51/965386251.db2.gz	UBWHSWIYIVPQLS-IXDOHACOSA-N	1	0	365.518	1.805	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CC[C@H]2C[N@H+](CCCOCC(F)(F)F)C[C@H]21	ZINC001187698717	965644068	/nfs/dbraw/zinc/64/40/68/965644068.db2.gz	OUNMIAMAMJVJDM-SQWLQELKSA-N	1	0	364.408	1.815	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]21	ZINC001187737751	965695634	/nfs/dbraw/zinc/69/56/34/965695634.db2.gz	ZQKVDMVBLFOXCN-RRFJBIMHSA-N	1	0	362.392	1.262	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+]([C@@H](CC)C(N)=O)CC2	ZINC000957608088	1013594445	/nfs/dbraw/zinc/59/44/45/1013594445.db2.gz	DCUFNHHYBPFZLU-IKGGRYGDSA-N	1	0	363.502	1.546	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(C(C)(C)C)C3=O)C[C@H]21	ZINC001187857472	965797940	/nfs/dbraw/zinc/79/79/40/965797940.db2.gz	NAOQVORJQJZVDI-YESZJQIVSA-N	1	0	359.514	1.968	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)c3ccc(F)cc3)C[C@H]21	ZINC001187857778	965798347	/nfs/dbraw/zinc/79/83/47/965798347.db2.gz	QUGYOQRGZALRES-UHOSZYNNSA-N	1	0	360.429	1.432	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]21	ZINC001187858143	965799313	/nfs/dbraw/zinc/79/93/13/965799313.db2.gz	YEFZTJVOBOHFFR-RYQLBKOJSA-N	1	0	357.498	1.722	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](CCOc3cccc(C)c3)C[C@H]21	ZINC001187865179	965809588	/nfs/dbraw/zinc/80/95/88/965809588.db2.gz	LMNHSLBFCCKKKS-CMKODMSKSA-N	1	0	356.466	1.945	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)N3CCCCC3=O)[C@@H]2C1	ZINC001187895879	965836402	/nfs/dbraw/zinc/83/64/02/965836402.db2.gz	SXTFLALKUISOQB-OKZBNKHCSA-N	1	0	363.502	1.513	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]32)cc1	ZINC001187903584	965843926	/nfs/dbraw/zinc/84/39/26/965843926.db2.gz	HMIWPQPBDPLJJP-YTQUADARSA-N	1	0	369.465	1.499	20	30		FDEDRO
C=CCCOCCCCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)NC)C[C@H]21	ZINC001187904742	965849019	/nfs/dbraw/zinc/84/90/19/965849019.db2.gz	ZZWNYRNFNRCZDG-IXDOHACOSA-N	1	0	351.491	1.417	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)Cc3ccccc3)C[C@H]21	ZINC001187874406	965870733	/nfs/dbraw/zinc/87/07/33/965870733.db2.gz	USDAATDLSNBMID-SLFFLAALSA-N	1	0	356.466	1.163	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@H]21	ZINC001187882784	965885418	/nfs/dbraw/zinc/88/54/18/965885418.db2.gz	VXXLWWLVGRAWHH-IJEWVQPXSA-N	1	0	350.850	1.108	20	30		FDEDRO
C=CCCOCCCCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)COC)C[C@H]21	ZINC001187919642	965903882	/nfs/dbraw/zinc/90/38/82/965903882.db2.gz	PCNLLTVLPOSCFZ-OKZBNKHCSA-N	1	0	354.491	1.289	20	30		FDEDRO
CN(C)c1nccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)n1	ZINC001188010192	965960810	/nfs/dbraw/zinc/96/08/10/965960810.db2.gz	HWAAIKJUEIVPPO-UHFFFAOYSA-N	1	0	364.453	1.831	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)COCCOC)C[C@H]21	ZINC001188063463	965987460	/nfs/dbraw/zinc/98/74/60/965987460.db2.gz	JZBMJCAZXODMDP-YESZJQIVSA-N	1	0	354.491	1.145	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)COCc3ccc(C)cc3)[C@@H]2C1	ZINC001188138424	966053772	/nfs/dbraw/zinc/05/37/72/966053772.db2.gz	YOGNZQIGTJYKOK-VQTJNVASSA-N	1	0	356.466	1.694	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC1)CC[NH+]([C@H](C)C(N)=O)CC2	ZINC000957618818	1013626513	/nfs/dbraw/zinc/62/65/13/1013626513.db2.gz	ISYWLIFEXCTXLO-IKGGRYGDSA-N	1	0	363.502	1.546	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(-c4cccnc4)nn3)[C@@H]2C1	ZINC001188145134	966059011	/nfs/dbraw/zinc/05/90/11/966059011.db2.gz	WADQOKZHJDJIQL-MAUKXSAKSA-N	1	0	368.441	1.011	20	30		FDEDRO
C=CC[N@H+](CCOC)CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000796034667	1013622772	/nfs/dbraw/zinc/62/27/72/1013622772.db2.gz	SMFXJRPLKXFNBJ-UHFFFAOYSA-N	1	0	355.479	1.590	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)COCc3nnc(C)s3)[C@@H]2C1	ZINC001188469765	966339143	/nfs/dbraw/zinc/33/91/43/966339143.db2.gz	ANERBGVXJIIWRB-LSDHHAIUSA-N	1	0	366.487	1.098	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1	ZINC000964505878	1013653410	/nfs/dbraw/zinc/65/34/10/1013653410.db2.gz	DVHDOIQSQPCFFC-ATZDWAIDSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC([NH3+])(C(=O)NCc3ccccc3)CC2)cc1	ZINC001188743100	966550881	/nfs/dbraw/zinc/55/08/81/966550881.db2.gz	ZIBYCQKLLDRQOJ-UHFFFAOYSA-N	1	0	361.445	1.918	20	30		FDEDRO
C#CCCCCCC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21	ZINC001188813640	966597899	/nfs/dbraw/zinc/59/78/99/966597899.db2.gz	OSMSAIFNGXHNIZ-RCCFBDPRSA-N	1	0	355.486	1.882	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]21	ZINC001188884325	966614985	/nfs/dbraw/zinc/61/49/85/966614985.db2.gz	GMZGKUCBLQIOEH-OWCLPIDISA-N	1	0	357.520	1.013	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4cnn(C)c4C3)[C@@H]2C1	ZINC001188941280	966656596	/nfs/dbraw/zinc/65/65/96/966656596.db2.gz	GKSONKLBVQLUPV-VDZJLULYSA-N	1	0	358.486	1.260	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(CCC(N)=O)cc3)[C@@H]2C1	ZINC001189076963	966751738	/nfs/dbraw/zinc/75/17/38/966751738.db2.gz	GBGXEIHPNJKHAG-RBUKOAKNSA-N	1	0	371.481	1.453	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)c3cc(C)nn3CC)[C@@H]2C1	ZINC001189223676	966834994	/nfs/dbraw/zinc/83/49/94/966834994.db2.gz	KCSPDEGUAHPNOR-YQQAZPJKSA-N	1	0	359.474	1.048	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)CC(=O)N(C)C)[C@@H]2C1	ZINC001189367483	966949250	/nfs/dbraw/zinc/94/92/50/966949250.db2.gz	LPIWMEIRMHLHGY-DOTOQJQBSA-N	1	0	370.453	1.078	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CCCCN3CCOCC3)[C@@H]2C1	ZINC001189425337	966970463	/nfs/dbraw/zinc/97/04/63/966970463.db2.gz	KJPFPORGGPZTPK-RBUKOAKNSA-N	1	0	365.518	1.224	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[NH+]2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852193776	967083947	/nfs/dbraw/zinc/08/39/47/967083947.db2.gz	YHJMVKYIWQFTQI-SFHVURJKSA-N	1	0	358.442	1.098	20	30		FDEDRO
C[N@H+](CCn1cnc(Br)n1)C[C@@H](O)c1cccc(C#N)c1	ZINC000852210419	967102551	/nfs/dbraw/zinc/10/25/51/967102551.db2.gz	DUNYMZYKRYLFGD-CYBMUJFWSA-N	1	0	350.220	1.578	20	30		FDEDRO
C#C[C@H](NC(=O)NCC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CCCO1	ZINC000852259717	967163336	/nfs/dbraw/zinc/16/33/36/967163336.db2.gz	KHABSYDNWLAAIY-OALUTQOASA-N	1	0	356.470	1.774	20	30		FDEDRO
C=CCN(CC(=O)Nc1sc2c(c1C(N)=O)CCC2)[C@@H](C)COC	ZINC000852358161	967249290	/nfs/dbraw/zinc/24/92/90/967249290.db2.gz	NWOMCPWYBYAOPT-NSHDSACASA-N	1	0	351.472	1.797	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C(=O)N(C)C)cc3)[C@@H]2C1	ZINC001189828956	967288949	/nfs/dbraw/zinc/28/89/49/967288949.db2.gz	IRKALFPZPUSEPL-RBUKOAKNSA-N	1	0	369.465	1.185	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCc2cnn(C)c2)CCOCC1	ZINC001110650921	967376017	/nfs/dbraw/zinc/37/60/17/967376017.db2.gz	DYAGGDYOUSCRPY-QRVBRYPASA-N	1	0	370.497	1.504	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3ccccc3)[C@@H]2C1	ZINC001189923235	967385902	/nfs/dbraw/zinc/38/59/02/967385902.db2.gz	MSRGRRNZBWKLGQ-YTQUADARSA-N	1	0	355.482	1.843	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@H+]2CC[C@@](C)(c3cccc(OC)c3)C2)CC1	ZINC000852536525	967406728	/nfs/dbraw/zinc/40/67/28/967406728.db2.gz	WQZRMKLEZLJSRY-OAQYLSRUSA-N	1	0	355.482	1.436	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1	ZINC000852586789	967448246	/nfs/dbraw/zinc/44/82/46/967448246.db2.gz	MNNARBMMGSCMNB-QGZVFWFLSA-N	1	0	360.502	1.564	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3nc4nccc(C)n4n3)[C@@H]2C1	ZINC001190020248	967471011	/nfs/dbraw/zinc/47/10/11/967471011.db2.gz	YAQXZAQLIUAGPM-VNQPRFMTSA-N	1	0	354.458	1.934	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cccc(F)c3)[C@@H]2C1	ZINC001190050295	967515191	/nfs/dbraw/zinc/51/51/91/967515191.db2.gz	ALIDTPBXDYCYSN-QILLFSRXSA-N	1	0	359.445	1.592	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH+]2CCC3(C=Cc4ccccc4O3)CC2)CC1	ZINC000852729474	967556191	/nfs/dbraw/zinc/55/61/91/967556191.db2.gz	GXVQBEVFYJLRLO-UHFFFAOYSA-N	1	0	365.477	1.704	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)COc3ccc(C)c(C)c3)[C@@H]2C1	ZINC001190133288	967594317	/nfs/dbraw/zinc/59/43/17/967594317.db2.gz	GVMJLVSEBHLFPG-AZUAARDMSA-N	1	0	356.466	1.865	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NCCOc1cccc(Br)c1	ZINC000852819834	967631942	/nfs/dbraw/zinc/63/19/42/967631942.db2.gz	LMILOXBASMMTMZ-UHFFFAOYSA-N	1	0	351.244	1.947	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCN(C(=O)c2c(F)cccc2F)CC1	ZINC000852822785	967634486	/nfs/dbraw/zinc/63/44/86/967634486.db2.gz	GUHJUUUMTILKCI-UHFFFAOYSA-N	1	0	361.392	1.252	20	30		FDEDRO
N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(Br)cc2c1OCCO2	ZINC000852827508	967638525	/nfs/dbraw/zinc/63/85/25/967638525.db2.gz	JXQTXARRILNKPP-KCJUWKMLSA-N	1	0	352.188	1.062	20	30		FDEDRO
N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(Br)cc2c1OCCO2	ZINC000852827509	967638658	/nfs/dbraw/zinc/63/86/58/967638658.db2.gz	JXQTXARRILNKPP-KWQFWETISA-N	1	0	352.188	1.062	20	30		FDEDRO
N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cc(Br)cc2c1OCCO2	ZINC000852827510	967638674	/nfs/dbraw/zinc/63/86/74/967638674.db2.gz	JXQTXARRILNKPP-LDYMZIIASA-N	1	0	352.188	1.062	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCCN2CCCC2=O)C1	ZINC001190229572	967644427	/nfs/dbraw/zinc/64/44/27/967644427.db2.gz	IZDMRNFCIXOQBX-KSZLIROESA-N	1	0	363.502	1.513	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1	ZINC000852851529	967657537	/nfs/dbraw/zinc/65/75/37/967657537.db2.gz	FZOUGLQTSBUPJK-QYZOEREBSA-N	1	0	351.450	1.263	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NCCNc1cccc(Br)c1	ZINC000852887437	967690243	/nfs/dbraw/zinc/69/02/43/967690243.db2.gz	NGKYPNPEGHOBSR-UHFFFAOYSA-N	1	0	350.260	1.980	20	30		FDEDRO
C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CCN(C(=O)CC#Cc3ccccc3)[C@@H]2C1	ZINC001190291084	967741306	/nfs/dbraw/zinc/74/13/06/967741306.db2.gz	RYWBXOQCQFHTLJ-IMFGXOCKSA-N	1	0	365.477	1.628	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](OC)c3ccc(F)cc3)[C@@H]2C1	ZINC001190410108	967823818	/nfs/dbraw/zinc/82/38/18/967823818.db2.gz	VBCBJINQGRYNQP-QXAKKESOSA-N	1	0	360.429	1.696	20	30		FDEDRO
CNC(=O)CCCCC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001190416479	967830380	/nfs/dbraw/zinc/83/03/80/967830380.db2.gz	HSNYCBLMBHFGCN-RBUKOAKNSA-N	1	0	368.481	1.897	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCCCCOCC)[C@@H]2C1	ZINC001190417201	967831817	/nfs/dbraw/zinc/83/18/17/967831817.db2.gz	RYPLZGKGICHVHD-OKZBNKHCSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(C(=O)NC)c3)C[C@H]21	ZINC001190458725	967883522	/nfs/dbraw/zinc/88/35/22/967883522.db2.gz	KMKQAACNQFDDHF-ZYSHUDEJSA-N	1	0	371.481	1.670	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)COC[C@H]4CCCO4)[C@@H]3C2)c1	ZINC001190508452	967907672	/nfs/dbraw/zinc/90/76/72/967907672.db2.gz	JKPQHTCAEFIMLR-XUVXKRRUSA-N	1	0	369.465	1.787	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCCOC(C)C)[C@@H]2C1	ZINC001190508570	967908643	/nfs/dbraw/zinc/90/86/43/967908643.db2.gz	PBKITRJOEDNZDM-YESZJQIVSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CCCCCS(N)(=O)=O)[C@@H]2C1	ZINC001190617757	967961336	/nfs/dbraw/zinc/96/13/36/967961336.db2.gz	MNPQARLARUHFNU-JKSUJKDBSA-N	1	0	357.520	1.334	20	30		FDEDRO
C#CC[C@H]([NH2+]CC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1	ZINC000775400122	967979416	/nfs/dbraw/zinc/97/94/16/967979416.db2.gz	LSABXAIIRMOXRE-SFHVURJKSA-N	1	0	365.433	1.918	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C1CCC1)C2	ZINC001110671171	968101829	/nfs/dbraw/zinc/10/18/29/968101829.db2.gz	WINDAYWXYQQWJS-QRVBRYPASA-N	1	0	374.529	1.393	20	30		FDEDRO
N#Cc1ccccc1CN1C(=O)CN(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)C1=O	ZINC000853588081	968151761	/nfs/dbraw/zinc/15/17/61/968151761.db2.gz	PLGBDSRFEJXJJF-SJORKVTESA-N	1	0	354.410	1.248	20	30		FDEDRO
C#C[C@H](NC(=O)Nc1ccccc1C(=O)N1CCN(C)CC1)[C@H]1CCCO1	ZINC000775474481	968721063	/nfs/dbraw/zinc/72/10/63/968721063.db2.gz	PBVFRAXLHGAXHQ-FUHWJXTLSA-N	1	0	370.453	1.377	20	30		FDEDRO
C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)c2c(F)cc(C#N)cc2F)CC1	ZINC001191943026	968874724	/nfs/dbraw/zinc/87/47/24/968874724.db2.gz	BIMRGLVLDNLJPX-JOCQHMNTSA-N	1	0	364.396	1.555	20	30		FDEDRO
Cc1ccccc1OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1	ZINC001192046916	968901166	/nfs/dbraw/zinc/90/11/66/968901166.db2.gz	YMRNWSCSUAFPAV-QZTJIDSGSA-N	1	0	368.437	1.439	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CC/C=C\c3ccccc3)C[C@H]2O)c1	ZINC001192037096	968918763	/nfs/dbraw/zinc/91/87/63/968918763.db2.gz	GPOXURPYOUHMDD-HUPPCRNXSA-N	1	0	350.422	1.765	20	30		FDEDRO
C#CCC(C)(C)C(=O)N(C)CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O	ZINC000854470630	968919893	/nfs/dbraw/zinc/91/98/93/968919893.db2.gz	PKFXQPAKZPNCEE-UHFFFAOYSA-N	1	0	369.465	1.722	20	30		FDEDRO
Cc1ncc(C(=O)NC2(C(=O)OC(C)(C)C)CCC([NH3+])CC2)cc1C#N	ZINC001192300208	969027865	/nfs/dbraw/zinc/02/78/65/969027865.db2.gz	OLRNJIMWRJCFNT-UHFFFAOYSA-N	1	0	358.442	1.973	20	30		FDEDRO
CC(C)C[C@H](NC(=O)C#Cc1cccs1)C(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000854632249	969036845	/nfs/dbraw/zinc/03/68/45/969036845.db2.gz	HLVGPIBAASNLQV-WBVHZDCISA-N	1	0	361.511	1.793	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@H](C)[C@H]2CN(C)CCO2)c(OC)c1	ZINC000644602781	1013848543	/nfs/dbraw/zinc/84/85/43/1013848543.db2.gz	NLMORIPRVMNDCQ-WRWLIDTKSA-N	1	0	364.486	1.472	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)o1	ZINC001192677047	969227169	/nfs/dbraw/zinc/22/71/69/969227169.db2.gz	XYQUCYPJXYJTLY-RDJZCZTQSA-N	1	0	352.394	1.662	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2-c2ccco2)C1	ZINC001192843963	969335547	/nfs/dbraw/zinc/33/55/47/969335547.db2.gz	CXKBBUFQJKAPHM-FVQBIDKESA-N	1	0	358.442	1.810	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1	ZINC001193127694	969494363	/nfs/dbraw/zinc/49/43/63/969494363.db2.gz	UJODFFUYQUGIEY-ATLSCFEFSA-N	1	0	362.499	1.856	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)c2ccoc2)C1	ZINC001193173729	969502877	/nfs/dbraw/zinc/50/28/77/969502877.db2.gz	CWHYHALUFWRYRJ-USXIJHARSA-N	1	0	365.474	1.530	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCc2ccccc2)C[C@H]1O	ZINC001193369743	969663030	/nfs/dbraw/zinc/66/30/30/969663030.db2.gz	FLVBEJFJLMSICG-GUDVDZBRSA-N	1	0	362.470	1.082	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncccc2NC(C)=O)C1	ZINC001193594948	969754541	/nfs/dbraw/zinc/75/45/41/969754541.db2.gz	JBWAIFCYUGKXDI-IAGOWNOFSA-N	1	0	360.458	1.561	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3cc(OC)ccc32)C1	ZINC001193551382	969756628	/nfs/dbraw/zinc/75/66/28/969756628.db2.gz	FXSFPWVCEHYGMY-GUDVDZBRSA-N	1	0	360.454	1.089	20	30		FDEDRO
COc1ccc(C#N)c(S(=O)(=O)N2CCN(c3cc[nH+]cc3)CC2)c1	ZINC001193645241	969784514	/nfs/dbraw/zinc/78/45/14/969784514.db2.gz	JYQUMDGKTBLTFU-UHFFFAOYSA-N	1	0	358.423	1.473	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3ccccc3)C[C@H]2O)CCOCC1	ZINC001193727164	969818777	/nfs/dbraw/zinc/81/87/77/969818777.db2.gz	IZBROLNVDZSCHT-BHIYHBOVSA-N	1	0	356.466	1.729	20	30		FDEDRO
CCCCCCCCOCC(=O)N[C@@H]1C[N@H+](CCC[C@H](C)O)C[C@H]1O	ZINC001193827637	969884672	/nfs/dbraw/zinc/88/46/72/969884672.db2.gz	DMLQEHCCOQHIOS-RCCFBDPRSA-N	1	0	358.523	1.686	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(CC)nn(C)c2CC)C1	ZINC001193835123	969889727	/nfs/dbraw/zinc/88/97/27/969889727.db2.gz	OQJWZHBTOLEZJS-LSBZLQRGSA-N	1	0	362.518	1.603	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1	ZINC001193866404	969898872	/nfs/dbraw/zinc/89/88/72/969898872.db2.gz	FFOLYICKAKXSFM-ZJPYXAASSA-N	1	0	363.502	1.295	20	30		FDEDRO
C[NH+]1CCN(c2cncc(C(=O)Nc3nc4ncccc4cc3C#N)c2)CC1	ZINC001193937751	969908196	/nfs/dbraw/zinc/90/81/96/969908196.db2.gz	LWOVEYFBFWBOOD-UHFFFAOYSA-N	1	0	373.420	1.901	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nc(OC)cc(OC)n2)C1	ZINC001194119162	969999689	/nfs/dbraw/zinc/99/96/89/969999689.db2.gz	PRBXNUNNDPKDDW-ZIAGYGMSSA-N	1	0	366.462	1.239	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)c2cc(C#N)ccc2F)(N2CCOCC2)CC1	ZINC000854930898	970046980	/nfs/dbraw/zinc/04/69/80/970046980.db2.gz	BTGKFAFSPDHARX-UHFFFAOYSA-N	1	0	360.433	1.224	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCc3ccccc3CC2)C1	ZINC001194309168	970096609	/nfs/dbraw/zinc/09/66/09/970096609.db2.gz	RRHQWBJMNJCWMU-WOJBJXKFSA-N	1	0	358.482	1.546	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(=O)[nH]c(C3CC3)n1)C2	ZINC001110697793	970142493	/nfs/dbraw/zinc/14/24/93/970142493.db2.gz	JWZCDMJTVAVTRW-FMKPAKJESA-N	1	0	358.442	1.597	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2ccncc2)C1	ZINC001194390912	970153121	/nfs/dbraw/zinc/15/31/21/970153121.db2.gz	GWPVRUOQEWIQAQ-KBRIMQKVSA-N	1	0	355.442	1.601	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(OC)c(C(C)C)c2)C1	ZINC001194436865	970191013	/nfs/dbraw/zinc/19/10/13/970191013.db2.gz	LTDWEPFYEGXXSZ-QZTJIDSGSA-N	1	0	362.470	1.796	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)c3ccccc3[nH]2)C1	ZINC001194483684	970211136	/nfs/dbraw/zinc/21/11/36/970211136.db2.gz	IEISKXSTKFAAOU-OMWUSAIZSA-N	1	0	355.438	1.658	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccc(N(C)C)cc2)C1	ZINC001194523906	970230481	/nfs/dbraw/zinc/23/04/81/970230481.db2.gz	NLJTXZLIDDGNDH-RTBURBONSA-N	1	0	361.486	1.049	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](NC(C)=O)C2CCCC2)C1	ZINC001194545965	970243740	/nfs/dbraw/zinc/24/37/40/970243740.db2.gz	UFLVPAGUNZHXEV-GUDVDZBRSA-N	1	0	365.518	1.589	20	30		FDEDRO
C#CCN1CCC[C@H](NS(=O)(=O)c2ccc(OC)c3cccnc32)C1	ZINC001194689958	970329326	/nfs/dbraw/zinc/32/93/26/970329326.db2.gz	CLWNHCGOMUDBPF-AWEZNQCLSA-N	1	0	359.451	1.619	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1sc(C)nc1C	ZINC001110461818	970427163	/nfs/dbraw/zinc/42/71/63/970427163.db2.gz	KBIOGWJOEHENNR-KFWWJZLASA-N	1	0	360.483	1.121	20	30		FDEDRO
C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2nc3ccccc3cc2C)C1	ZINC001194824447	970444854	/nfs/dbraw/zinc/44/48/54/970444854.db2.gz	IZXQWIRGJGDEDF-QZTJIDSGSA-N	1	0	355.438	1.521	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cn3ccnn3)o2)C1	ZINC001194881341	970492937	/nfs/dbraw/zinc/49/29/37/970492937.db2.gz	QGYCUIHUJHYHBX-NUEKZKHPSA-N	1	0	359.430	1.049	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnoc2-c2cnn(C)c2)C1	ZINC001194917300	970520264	/nfs/dbraw/zinc/52/02/64/970520264.db2.gz	MNXWEJPJROVNQW-DAXOMENPSA-N	1	0	359.430	1.205	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C)c(C)c1	ZINC001110465378	970657271	/nfs/dbraw/zinc/65/72/71/970657271.db2.gz	ACKJAYQDVHFNRG-QRVBRYPASA-N	1	0	353.466	1.664	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](CC)c1ccccc1	ZINC001110465788	970667753	/nfs/dbraw/zinc/66/77/53/970667753.db2.gz	SWDVLDMTIISJIS-YRXWBPOGSA-N	1	0	353.466	1.999	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)nn(C)c2Cl)C1	ZINC001195119208	970700864	/nfs/dbraw/zinc/70/08/64/970700864.db2.gz	BAZFDIMYHFFJJM-ZIAGYGMSSA-N	1	0	354.882	1.903	20	30		FDEDRO
CCCCCCCCCC(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@H]1O	ZINC001198095945	972747094	/nfs/dbraw/zinc/74/70/94/972747094.db2.gz	AEDDTRYLEAKPEQ-IAGOWNOFSA-N	1	0	368.522	1.314	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]CC[S@](=O)Cc1ccccc1	ZINC000863551082	973007120	/nfs/dbraw/zinc/00/71/20/973007120.db2.gz	CQZUBVJKYZARGK-BVZFJXPGSA-N	1	0	358.463	1.836	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]Cc2ccc(N3CCOC3=O)cc2)CCOCC1	ZINC000863553870	973011141	/nfs/dbraw/zinc/01/11/41/973011141.db2.gz	LLVQWBJMPPCDCI-KRWDZBQOSA-N	1	0	359.426	1.804	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCCO[C@@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)C1	ZINC000863557753	973014671	/nfs/dbraw/zinc/01/46/71/973014671.db2.gz	QUWUQXWZXWTNNC-CABCVRRESA-N	1	0	353.463	1.657	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc3ccccc3c2)C1	ZINC001198466250	973132650	/nfs/dbraw/zinc/13/26/50/973132650.db2.gz	KQXUDRRMJHFTSK-WOJBJXKFSA-N	1	0	354.450	1.746	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(OCC)c(OC)c2)C1	ZINC001198528646	973214134	/nfs/dbraw/zinc/21/41/34/973214134.db2.gz	ZYTIMUFOAHIQHR-HZPDHXFCSA-N	1	0	364.442	1.071	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)Nc2ccc(C)cc2)C1	ZINC001198550768	973282144	/nfs/dbraw/zinc/28/21/44/973282144.db2.gz	KZZGVSMWJWBMRW-QZTJIDSGSA-N	1	0	359.470	1.841	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccsc2)C1	ZINC001198800080	973543545	/nfs/dbraw/zinc/54/35/45/973543545.db2.gz	WMSZIVCPCAPGDS-HZPDHXFCSA-N	1	0	367.515	1.610	20	30		FDEDRO
C=CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1O)c1ccccc1	ZINC001198870100	973638429	/nfs/dbraw/zinc/63/84/29/973638429.db2.gz	ICYHAYXMEJWABM-VAMGGRTRSA-N	1	0	368.481	1.484	20	30		FDEDRO
C=C[C@@H](CC(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1O)c1ccccc1	ZINC001198918087	973681710	/nfs/dbraw/zinc/68/17/10/973681710.db2.gz	RIVGFGKNBDJMRA-DFQSSKMNSA-N	1	0	368.481	1.484	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]([NH2+]CCCO)c1ccccc1OC	ZINC001198931743	973701645	/nfs/dbraw/zinc/70/16/45/973701645.db2.gz	FAJBASRSYYDEGW-LNLFQRSKSA-N	1	0	362.470	1.806	20	30		FDEDRO
C=C[C@H](C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O)c1ccccc1	ZINC001198955426	973736381	/nfs/dbraw/zinc/73/63/81/973736381.db2.gz	CRMUGEYAYPRLBO-XUVXKRRUSA-N	1	0	358.482	1.934	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCc3ccccc32)C1	ZINC001198974495	973765768	/nfs/dbraw/zinc/76/57/68/973765768.db2.gz	DPRNHWQOWXXJJA-MISYRCLQSA-N	1	0	358.482	1.861	20	30		FDEDRO
C#CCOC[C@H](O)C[N@@H+](CCC)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC001251857509	973849371	/nfs/dbraw/zinc/84/93/71/973849371.db2.gz	DUVCYPDHNISUMO-DLBZAZTESA-N	1	0	354.491	1.966	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)NC(=O)NCCC)C1	ZINC001199043390	973856335	/nfs/dbraw/zinc/85/63/35/973856335.db2.gz	STKPQYGOIJDNJS-HZPDHXFCSA-N	1	0	368.522	1.382	20	30		FDEDRO
C[NH+]1CCN(Cc2ccc(CNC(=O)[C@@]3(C#N)CCCOC3)cc2)CC1	ZINC000864878990	973917733	/nfs/dbraw/zinc/91/77/33/973917733.db2.gz	BYGDYVXHANWLNP-HXUWFJFHSA-N	1	0	356.470	1.371	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc(C(N)=O)cc2)C1	ZINC001199245633	974064814	/nfs/dbraw/zinc/06/48/14/974064814.db2.gz	GTGRHZOFJQJWKY-QZTJIDSGSA-N	1	0	359.470	1.236	20	30		FDEDRO
COc1cc(CNC(=O)[C@]2(C#N)CCCOC2)ccc1OCC[NH+](C)C	ZINC000865088567	974079604	/nfs/dbraw/zinc/07/96/04/974079604.db2.gz	IEFWKPNHBUBRFD-IBGZPJMESA-N	1	0	361.442	1.572	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1	ZINC000645269265	1014167709	/nfs/dbraw/zinc/16/77/09/1014167709.db2.gz	AOOBPPJPQWTSCN-INIZCTEOSA-N	1	0	351.491	1.484	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](C[C@@H](OCC)C3CC3)C[C@H]2O)CCCCC1	ZINC001199277881	974160177	/nfs/dbraw/zinc/16/01/77/974160177.db2.gz	FOIIPAUZJMSMPY-GUDVDZBRSA-N	1	0	362.514	1.937	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CCCC)NC(N)=O)C1	ZINC001199345070	974171413	/nfs/dbraw/zinc/17/14/13/974171413.db2.gz	JTGMZMJTRWSZMC-ARFHVFGLSA-N	1	0	356.511	1.345	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCCCC2CCOCC2)C[C@H]1O	ZINC001199318393	974185735	/nfs/dbraw/zinc/18/57/35/974185735.db2.gz	SOCHITXODMKJOG-KBAYOESNSA-N	1	0	354.491	1.336	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCCN(C(=O)C#CC3CC3)CC2)CC[N@@H+]1C	ZINC000967564631	1014172937	/nfs/dbraw/zinc/17/29/37/1014172937.db2.gz	ILESTHFGRSZZHY-CEXWTWQISA-N	1	0	359.514	1.970	20	30		FDEDRO
C=C(C)C[C@H]1NC(=O)N(Cc2cccc(C(=O)NCC[NH+](C)C)c2)C1=O	ZINC000865301416	974219886	/nfs/dbraw/zinc/21/98/86/974219886.db2.gz	LKKRSNLPAKJTDN-MRXNPFEDSA-N	1	0	358.442	1.365	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)CC2CCCCC2)C1	ZINC001199489961	974298815	/nfs/dbraw/zinc/29/88/15/974298815.db2.gz	RQLJDJLBAFSVKO-IAGOWNOFSA-N	1	0	351.491	1.201	20	30		FDEDRO
COc1ccccc1N1CCC([NH2+]CCNC(=O)C2N=CC=CC2=O)CC1	ZINC000865461749	974312161	/nfs/dbraw/zinc/31/21/61/974312161.db2.gz	ACXZAQJUBHBOHO-VXPUYCOJSA-N	1	0	370.453	1.780	20	30		FDEDRO
CO[C@@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000775972514	974319735	/nfs/dbraw/zinc/31/97/35/974319735.db2.gz	LMWFXXYMBYFHST-MSOLQXFVSA-N	1	0	360.433	1.255	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O	ZINC000865481167	974320092	/nfs/dbraw/zinc/32/00/92/974320092.db2.gz	MUHSIVDZABNPFT-HNAYVOBHSA-N	1	0	355.442	1.434	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]2O)CCCC1	ZINC001199560799	974368872	/nfs/dbraw/zinc/36/88/72/974368872.db2.gz	ZVPGSQIYBVFRTG-IAGOWNOFSA-N	1	0	363.502	1.297	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C/C=C/c2ccc(C)cc2)C1	ZINC001199591706	974395339	/nfs/dbraw/zinc/39/53/39/974395339.db2.gz	SAAJXLFQJCISHL-AGOQIEHVSA-N	1	0	371.481	1.250	20	30		FDEDRO
Cc1cccc(N(C(=O)c2cnc(C#N)cn2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1	ZINC001199664305	974449972	/nfs/dbraw/zinc/44/99/72/974449972.db2.gz	DFXXSOZDVZPODN-XLIONFOSSA-N	1	0	363.421	1.825	20	30		FDEDRO
CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cnc(C#N)cn2)cc1	ZINC001199666459	974452869	/nfs/dbraw/zinc/45/28/69/974452869.db2.gz	WQSMHGPZLDCYPP-UHFFFAOYSA-N	1	0	366.425	1.672	20	30		FDEDRO
C#CCOc1ccc(C[NH2+]CCc2ccc(S(=O)(=O)NC)cc2)cc1	ZINC000865819584	974520027	/nfs/dbraw/zinc/52/00/27/974520027.db2.gz	WTIXOWCFIYILMV-UHFFFAOYSA-N	1	0	358.463	1.939	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)CC1	ZINC000776056070	974694350	/nfs/dbraw/zinc/69/43/50/974694350.db2.gz	KILYFTBBRJWFBG-AWEZNQCLSA-N	1	0	367.475	1.015	20	30		FDEDRO
CCOC(=O)CCNC(=S)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC001200182063	974709885	/nfs/dbraw/zinc/70/98/85/974709885.db2.gz	KFFZQEMLENYFCE-UHFFFAOYSA-N	1	0	374.510	1.940	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccncc2)CCCO1	ZINC001200529505	974808714	/nfs/dbraw/zinc/80/87/14/974808714.db2.gz	WFUFPYNNHJXQMG-QRVBRYPASA-N	1	0	359.470	1.942	20	30		FDEDRO
C=CCN1CCN(C)C2(CCN(C(=S)NCc3ccco3)CC2)C1=O	ZINC001200558630	974824965	/nfs/dbraw/zinc/82/49/65/974824965.db2.gz	FNOCPGCKTJYOMX-UHFFFAOYSA-N	1	0	362.499	1.449	20	30		FDEDRO
C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1)NC(N)=O	ZINC001110557389	974919143	/nfs/dbraw/zinc/91/91/43/974919143.db2.gz	OYTBUMWCVQDKIZ-DXEWXGHRSA-N	1	0	355.442	1.227	20	30		FDEDRO
CC[C@@H](C#N)Oc1cccc(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)c1	ZINC000776185710	975040040	/nfs/dbraw/zinc/04/00/40/975040040.db2.gz	KSRXBAQMSYOLLL-HVEKOLDVSA-N	1	0	356.426	1.978	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCCCCOC)C1	ZINC001201437847	975060441	/nfs/dbraw/zinc/06/04/41/975060441.db2.gz	HOZGDLFLYKRHFG-KSZLIROESA-N	1	0	354.491	1.601	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2CC(C)C)CCCO1	ZINC001201439247	975061260	/nfs/dbraw/zinc/06/12/60/975061260.db2.gz	SYZJPSCBBFQNRI-BRWVUGGUSA-N	1	0	351.491	1.178	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21	ZINC000121584922	975065164	/nfs/dbraw/zinc/06/51/64/975065164.db2.gz	UGPBOQCCXAAYRN-HNNXBMFYSA-N	1	0	371.437	1.357	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(C)c2)CCCO1	ZINC001201611355	975097697	/nfs/dbraw/zinc/09/76/97/975097697.db2.gz	DIUFGPGKUXWTMS-QHAWAJNXSA-N	1	0	370.493	1.955	20	30		FDEDRO
C=CC[NH+](CC=C)CCN1CCN(C(=O)NC(=O)c2ccccc2)CC1	ZINC001202455041	975309715	/nfs/dbraw/zinc/30/97/15/975309715.db2.gz	NFPLJTLEKVWREH-UHFFFAOYSA-N	1	0	356.470	1.828	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)cc1OCCCC#N	ZINC001202428242	975311868	/nfs/dbraw/zinc/31/18/68/975311868.db2.gz	VKHBXPDTAHDCLB-KRWDZBQOSA-N	1	0	368.455	1.017	20	30		FDEDRO
C#CCNC(=O)CC[N@H+]1CCN(C(=O)C(F)(F)F)C2(CCCCC2)C1	ZINC000847099505	975330744	/nfs/dbraw/zinc/33/07/44/975330744.db2.gz	QUMPRPMOOMSCGK-UHFFFAOYSA-N	1	0	359.392	1.535	20	30		FDEDRO
C#C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)C1	ZINC000847560964	975827043	/nfs/dbraw/zinc/82/70/43/975827043.db2.gz	ODVIBNVMOWDBOK-MRXNPFEDSA-N	1	0	357.454	1.746	20	30		FDEDRO
NS(=O)(=O)c1ccc(N=NC2CCC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1	ZINC000848399319	976719304	/nfs/dbraw/zinc/71/93/04/976719304.db2.gz	NNDZLOCGHYLYFJ-CQSZACIVSA-N	1	0	367.431	1.658	20	30		FDEDRO
O=S(=O)(NC1CC1)c1ccc(N=NC2CCC[N@@H+]3CCCC[C@H]23)nc1	ZINC000848404230	976720919	/nfs/dbraw/zinc/72/09/19/976720919.db2.gz	HRCKRFZGZRNEQJ-MRXNPFEDSA-N	1	0	363.487	1.939	20	30		FDEDRO
C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C)(C)[C@H]1C#N	ZINC000867833186	976959337	/nfs/dbraw/zinc/95/93/37/976959337.db2.gz	XGRNDNBLIVCLKV-UONOGXRCSA-N	1	0	352.479	1.982	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCCNC(=O)c1ccc(F)cc1	ZINC000867943211	977121933	/nfs/dbraw/zinc/12/19/33/977121933.db2.gz	PAKJAHMUGYWFSH-GOSISDBHSA-N	1	0	366.396	1.430	20	30		FDEDRO
CC(C)[C@H](CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)N1CCOCC1	ZINC000867963552	977148033	/nfs/dbraw/zinc/14/80/33/977148033.db2.gz	XEZWZFSPICMMPX-OALUTQOASA-N	1	0	356.470	1.218	20	30		FDEDRO
COC(=O)N1CCC([C@@H](C)NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000867976097	977160065	/nfs/dbraw/zinc/16/00/65/977160065.db2.gz	UPQCUVATIBXERU-FZKQIMNGSA-N	1	0	370.453	1.728	20	30		FDEDRO
CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000867987574	977171913	/nfs/dbraw/zinc/17/19/13/977171913.db2.gz	OJNNATVUVRJWOZ-SQGPQFPESA-N	1	0	355.438	1.983	20	30		FDEDRO
CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000867987572	977172423	/nfs/dbraw/zinc/17/24/23/977172423.db2.gz	OJNNATVUVRJWOZ-FUHIMQAGSA-N	1	0	355.438	1.983	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCNc2ncccc2C#N)CC1	ZINC000849058861	977297781	/nfs/dbraw/zinc/29/77/81/977297781.db2.gz	QUMGNMYHYYZTIA-UHFFFAOYSA-N	1	0	359.434	1.100	20	30		FDEDRO
CCOC(CCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12)OCC	ZINC000849089062	977309045	/nfs/dbraw/zinc/30/90/45/977309045.db2.gz	OLSSJBVXKCSUOG-CQSZACIVSA-N	1	0	370.494	1.656	20	30		FDEDRO
Cc1ccc(CCNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)nc1	ZINC000849116756	977329569	/nfs/dbraw/zinc/32/95/69/977329569.db2.gz	WGTANDULFLJJKU-MRXNPFEDSA-N	1	0	359.474	1.813	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1C#N	ZINC000868252412	977396686	/nfs/dbraw/zinc/39/66/86/977396686.db2.gz	IGFNLFYWVQFMAH-KGLIPLIRSA-N	1	0	356.426	1.353	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1	ZINC000868282236	977441118	/nfs/dbraw/zinc/44/11/18/977441118.db2.gz	UVSPZWGFMRXCBG-IBGZPJMESA-N	1	0	356.470	1.826	20	30		FDEDRO
Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2ccc(C#N)cc2F)cn1	ZINC000849521314	977715626	/nfs/dbraw/zinc/71/56/26/977715626.db2.gz	DDUMTSMOYQWQOL-DLBZAZTESA-N	1	0	355.417	1.783	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1OCC[C@H]1CC	ZINC001114425117	977752058	/nfs/dbraw/zinc/75/20/58/977752058.db2.gz	AEIVUYOGWSNQPL-SMYFESCOSA-N	1	0	363.502	1.273	20	30		FDEDRO
N#Cc1ccccc1N1CCC(NC(=O)NCC[N@@H+]2CCCOCC2)CC1	ZINC000868647045	977864159	/nfs/dbraw/zinc/86/41/59/977864159.db2.gz	CHJIAWJVMCKTLQ-UHFFFAOYSA-N	1	0	371.485	1.549	20	30		FDEDRO
O=C(NCC[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)C1N=CC=CC1=O	ZINC000850137850	978199496	/nfs/dbraw/zinc/19/94/96/978199496.db2.gz	XOXVZQOIVWJZFZ-VRTBNJGNSA-N	1	0	357.410	1.470	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)c1	ZINC000850667667	978586386	/nfs/dbraw/zinc/58/63/86/978586386.db2.gz	WNGNTHURIPROSI-MRXNPFEDSA-N	1	0	357.454	1.874	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1	ZINC000850686149	978608628	/nfs/dbraw/zinc/60/86/28/978608628.db2.gz	QZHFWECXIHMYEM-KRWDZBQOSA-N	1	0	371.437	1.007	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1	ZINC000850728644	978651937	/nfs/dbraw/zinc/65/19/37/978651937.db2.gz	ALMFOXCINKFTLE-GOSISDBHSA-N	1	0	373.453	1.206	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)c1	ZINC000850729827	978652674	/nfs/dbraw/zinc/65/26/74/978652674.db2.gz	JTLNLHZSJZTXGG-UHFFFAOYSA-N	1	0	369.465	1.875	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)N1C(=O)CCC1=O)C2	ZINC001110624310	978667105	/nfs/dbraw/zinc/66/71/05/978667105.db2.gz	MXAGIACREGPXNA-VQHPVUNQSA-N	1	0	361.486	1.992	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(c2nc(C)cc(C)n2)CC1	ZINC001110629998	978875021	/nfs/dbraw/zinc/87/50/21/978875021.db2.gz	GLFUJVHLBBPKOY-IEBWSBKVSA-N	1	0	369.513	1.864	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(c2cc(C)nc(C)n2)CC1	ZINC001110630064	978875596	/nfs/dbraw/zinc/87/55/96/978875596.db2.gz	JTNPDHTXHBJXCQ-VQIMIIECSA-N	1	0	369.513	1.864	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1	ZINC000968001173	1014538462	/nfs/dbraw/zinc/53/84/62/1014538462.db2.gz	OSQCKSDHJRCYPV-IEZWGBDMSA-N	1	0	363.502	1.369	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1	ZINC000851670852	978991793	/nfs/dbraw/zinc/99/17/93/978991793.db2.gz	CERMWAFEGCEWEW-RTBURBONSA-N	1	0	368.481	1.303	20	30		FDEDRO
N#Cc1cccc(OC2CC[NH+](C[C@](O)(C(N)=O)c3ccccc3)CC2)c1	ZINC000851752499	979029269	/nfs/dbraw/zinc/02/92/69/979029269.db2.gz	IYQQUIGCKGSXOZ-OAQYLSRUSA-N	1	0	365.433	1.775	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@H]3CN(C(C)=O)C[C@H]3C2)c(OC)c1	ZINC000880308496	979084959	/nfs/dbraw/zinc/08/49/59/979084959.db2.gz	HOUYJJSXCYMYBB-CEXWTWQISA-N	1	0	374.481	1.574	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@@H](CC)[NH+](C)C)C1	ZINC000968006377	1014550198	/nfs/dbraw/zinc/55/01/98/1014550198.db2.gz	XJPDWLBCBQBPSI-ZACQAIPSSA-N	1	0	351.491	1.367	20	30		FDEDRO
COc1cccc2c1CC[C@]2(CO)[NH2+]CC(=O)Nc1cccc(C#N)c1	ZINC000880381111	979146113	/nfs/dbraw/zinc/14/61/13/979146113.db2.gz	PRUORDJIEQVLAP-HXUWFJFHSA-N	1	0	351.406	1.929	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCC1)N1CC[NH+](CCCOC(C)(C)C)CC1	ZINC000880413272	979171538	/nfs/dbraw/zinc/17/15/38/979171538.db2.gz	IUEMYNKMCHHIOR-MRXNPFEDSA-N	1	0	350.507	1.760	20	30		FDEDRO
C#C[C@H]([NH2+]C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)[C@H]1CCCO1	ZINC000851949370	979214950	/nfs/dbraw/zinc/21/49/50/979214950.db2.gz	DEYHJSQQBXRTLW-OWCLPIDISA-N	1	0	350.459	1.925	20	30		FDEDRO
C#CCC1(O)CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)CC1	ZINC000880479840	979221019	/nfs/dbraw/zinc/22/10/19/979221019.db2.gz	ZSVNSIKFCNJLAR-CVEARBPZSA-N	1	0	372.465	1.874	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(C(=O)c3cnn(CCC#N)c3C)CC2)c1	ZINC000888820256	979293084	/nfs/dbraw/zinc/29/30/84/979293084.db2.gz	WCSLHIWRIKPLHN-UHFFFAOYSA-N	1	0	354.414	1.471	20	30		FDEDRO
C#CCOCC[N@H+]1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1	ZINC000852157081	979399098	/nfs/dbraw/zinc/39/90/98/979399098.db2.gz	YSICMCNBPFIPEV-INIZCTEOSA-N	1	0	363.462	1.590	20	30		FDEDRO
COc1ccc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1C#N	ZINC000880877849	979508529	/nfs/dbraw/zinc/50/85/29/979508529.db2.gz	MNHHRXAQKWMPQL-INIZCTEOSA-N	1	0	371.441	1.337	20	30		FDEDRO
C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)C1	ZINC000880930994	979531964	/nfs/dbraw/zinc/53/19/64/979531964.db2.gz	ZWQISQWVOFCDFP-DZGCQCFKSA-N	1	0	356.348	1.527	20	30		FDEDRO
N#C[C@H]1CN(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)CCO1	ZINC000881137250	979713033	/nfs/dbraw/zinc/71/30/33/979713033.db2.gz	LWBHATJLXNHQGS-MSOLQXFVSA-N	1	0	355.442	1.727	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(CC)C2CN(C(=O)[C@@H]3C[C@H]3C3CCC3)C2)CC1	ZINC000968038701	1014600479	/nfs/dbraw/zinc/60/04/79/1014600479.db2.gz	ILYVTFMGCBUILU-VQTJNVASSA-N	1	0	371.525	1.827	20	30		FDEDRO
N#CCOc1ccccc1C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1	ZINC000881621905	980015678	/nfs/dbraw/zinc/01/56/78/980015678.db2.gz	HXIALRGQGXSJCE-UHFFFAOYSA-N	1	0	370.453	1.535	20	30		FDEDRO
C=CCCc1ccc(S(=O)(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cc1	ZINC000881937146	980306184	/nfs/dbraw/zinc/30/61/84/980306184.db2.gz	QWPNHHBIEFJGRZ-KRWDZBQOSA-N	1	0	365.543	1.967	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)Cc2ccccc2CC#N)CC1	ZINC000776977939	981694742	/nfs/dbraw/zinc/69/47/42/981694742.db2.gz	NJNIYRWGTLTFIK-UHFFFAOYSA-N	1	0	363.465	1.758	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)CC1	ZINC000883342439	982086577	/nfs/dbraw/zinc/08/65/77/982086577.db2.gz	XROCBGMVQQPHLM-LLVKDONJSA-N	1	0	359.339	1.885	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)ccc1C1CC1	ZINC000883609014	982305102	/nfs/dbraw/zinc/30/51/02/982305102.db2.gz	MHFLKZOXUOGBLP-UHFFFAOYSA-N	1	0	352.438	1.976	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C	ZINC000859028330	982466479	/nfs/dbraw/zinc/46/64/79/982466479.db2.gz	OCSFTYQXBCLVDL-HOTGVXAUSA-N	1	0	363.458	1.644	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	ZINC000859031455	982468470	/nfs/dbraw/zinc/46/84/70/982468470.db2.gz	JCMDLYXEFMCDNK-KRWDZBQOSA-N	1	0	351.491	1.607	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1	ZINC000859033750	982470042	/nfs/dbraw/zinc/47/00/42/982470042.db2.gz	JNXIGNFTCVWVJJ-GOSISDBHSA-N	1	0	351.491	1.559	20	30		FDEDRO
C=C(C)C[C@@H](CO)NC(=O)NC[C@@H]1CN(Cc2ccc(C)cc2)CCO1	ZINC000883803877	982481390	/nfs/dbraw/zinc/48/13/90/982481390.db2.gz	QPSXUADBWBFDAB-RBUKOAKNSA-N	1	0	361.486	1.822	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN(C)CC(=O)NC(C)C)C2	ZINC001110767076	982557819	/nfs/dbraw/zinc/55/78/19/982557819.db2.gz	AHVQPPYYUMASIW-MLHJIOFPSA-N	1	0	364.534	1.519	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)N(C)c2ccccc2)CC1	ZINC001202559898	982560176	/nfs/dbraw/zinc/56/01/76/982560176.db2.gz	SSNJTSFACRYQQO-MOPGFXCFSA-N	1	0	371.481	1.821	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)N(CCC)CCC)CC1	ZINC001202559945	982560508	/nfs/dbraw/zinc/56/05/08/982560508.db2.gz	VERGRDSGBNVBLX-MSOLQXFVSA-N	1	0	365.518	1.807	20	30		FDEDRO
N#CC1(C[C@H](O)CN2CCOC[C@@H]2C[C@@H](O)c2ccccc2)CCOCC1	ZINC000859165279	982590092	/nfs/dbraw/zinc/59/00/92/982590092.db2.gz	GLVJCASKUOUXGG-SLFFLAALSA-N	1	0	374.481	1.882	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2CC)CC1	ZINC001202575828	982621701	/nfs/dbraw/zinc/62/17/01/982621701.db2.gz	YROUVBOCKYKRDH-UMVBOHGHSA-N	1	0	350.463	1.013	20	30		FDEDRO
C#CCCN1CC[NH+](CC2(O)CCC(C(=O)OC(C)(C)C)CC2)CC1	ZINC000859214057	982623008	/nfs/dbraw/zinc/62/30/08/982623008.db2.gz	UXHVKSNLHWSPIV-UHFFFAOYSA-N	1	0	350.503	1.890	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c(C)nn(C)c1Cl)C2	ZINC001110770889	982643448	/nfs/dbraw/zinc/64/34/48/982643448.db2.gz	YXUYJDYBTIAVQO-BMFZPTHFSA-N	1	0	366.893	1.849	20	30		FDEDRO
C#C[C@@H](CCC)NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000890212790	982698705	/nfs/dbraw/zinc/69/87/05/982698705.db2.gz	BAVLWKNYENTSJX-LPHOPBHVSA-N	1	0	368.481	1.828	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)OCCC[NH+]2CCCCC2)c1	ZINC000800122441	982751932	/nfs/dbraw/zinc/75/19/32/982751932.db2.gz	HJVMZKPBNZWXNZ-UHFFFAOYSA-N	1	0	364.467	1.631	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NCc2ccc(OC)c(OC)c2OC)C1	ZINC000884063813	982798330	/nfs/dbraw/zinc/79/83/30/982798330.db2.gz	MYSZJSLAZFIPIG-HNNXBMFYSA-N	1	0	361.442	1.609	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCCN(C(=O)c3ccsc3)CC1)C2	ZINC000884095814	982859590	/nfs/dbraw/zinc/85/95/90/982859590.db2.gz	AJAQHCSYNATXCD-KOHRHEQBSA-N	1	0	372.494	1.562	20	30		FDEDRO
CCNC(=O)N1CCc2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)cc21	ZINC000884152745	982931322	/nfs/dbraw/zinc/93/13/22/982931322.db2.gz	SKCODFPZTHNPDC-RDYUPDBUSA-N	1	0	367.453	1.856	20	30		FDEDRO
CCOC(=O)[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccccc1	ZINC000884155539	982932577	/nfs/dbraw/zinc/93/25/77/982932577.db2.gz	FDBLOWLXFOREQQ-RXCRORICSA-N	1	0	355.438	1.589	20	30		FDEDRO
CC(C)(NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1cn(-c2ccccc2)nn1	ZINC000884172023	982945742	/nfs/dbraw/zinc/94/57/42/982945742.db2.gz	KGMAMXFAGTUWSV-RDYUPDBUSA-N	1	0	364.453	1.758	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H](CN1CCOCC1)c1ccccc1)C2	ZINC000884180843	982954156	/nfs/dbraw/zinc/95/41/56/982954156.db2.gz	MAVMWOFPDLQJRS-KYBDOYODSA-N	1	0	368.481	1.315	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1	ZINC000859642877	982955508	/nfs/dbraw/zinc/95/55/08/982955508.db2.gz	WTDAQIHQWQNEGW-SJORKVTESA-N	1	0	369.425	1.656	20	30		FDEDRO
CCC(CC)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)N1CCOCC1	ZINC000884184798	982960332	/nfs/dbraw/zinc/96/03/32/982960332.db2.gz	ZYNAFZQRGNNFBG-NNVNDSJASA-N	1	0	362.518	1.379	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1ccc(CCN3CCOCC3)cc1)C2	ZINC000884197975	982973569	/nfs/dbraw/zinc/97/35/69/982973569.db2.gz	KHBVJAOOCOOKLM-IDYZSHNDSA-N	1	0	368.481	1.639	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1	ZINC000884204156	982979184	/nfs/dbraw/zinc/97/91/84/982979184.db2.gz	ORTBGRGDNCKCPG-ROUUACIJSA-N	1	0	359.470	1.695	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCN(Cc3cccc(O)c3)CC1)C2	ZINC000884210435	982986564	/nfs/dbraw/zinc/98/65/64/982986564.db2.gz	ZRFCDZWZFIBOTI-GNZRSQJKSA-N	1	0	354.454	1.176	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCN(c3ccc(F)cc3F)C1)C2	ZINC000884213889	982991216	/nfs/dbraw/zinc/99/12/16/982991216.db2.gz	NYWJBEDFPIRGAI-RKKLVALLSA-N	1	0	360.408	1.799	20	30		FDEDRO
C[NH+](C)CCCN(C(=O)c1csc(C#N)c1)[C@H]1CCS(=O)(=O)C1	ZINC001137204854	982991787	/nfs/dbraw/zinc/99/17/87/982991787.db2.gz	OTPPCNYRXFREIY-ZDUSSCGKSA-N	1	0	355.485	1.201	20	30		FDEDRO
Cn1c(CCNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)nc2c1cccc2F	ZINC000884218385	982992910	/nfs/dbraw/zinc/99/29/10/982992910.db2.gz	NBVXSJKGZDOLBC-FWHMADFJSA-N	1	0	355.417	1.510	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1	ZINC000884268803	983041748	/nfs/dbraw/zinc/04/17/48/983041748.db2.gz	USSUXCCDIVNHRC-GBESFXJTSA-N	1	0	373.497	1.632	20	30		FDEDRO
CC(C)COC(=O)N1CCCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1	ZINC000884309056	983073250	/nfs/dbraw/zinc/07/32/50/983073250.db2.gz	KWQPAGZNBUTNPR-KOHRHEQBSA-N	1	0	362.474	1.453	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCO[C@H](CCc3ccccc3)C1)C2	ZINC000884313063	983076535	/nfs/dbraw/zinc/07/65/35/983076535.db2.gz	VLIRKWKEAFEUGG-KYBDOYODSA-N	1	0	353.466	1.986	20	30		FDEDRO
CCOC(=O)N1CCC([C@@H](C)NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1	ZINC000884319561	983080154	/nfs/dbraw/zinc/08/01/54/983080154.db2.gz	XVBWVVJAGRBXEC-KQZBIBICSA-N	1	0	362.474	1.499	20	30		FDEDRO
COC(=O)CCN(Cc1ccncc1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884321804	983083014	/nfs/dbraw/zinc/08/30/14/983083014.db2.gz	ZPKHPTHQEYUWEO-KOHRHEQBSA-N	1	0	356.426	1.113	20	30		FDEDRO
Cc1cnc(OC2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CC2)nc1	ZINC000884390154	983133652	/nfs/dbraw/zinc/13/36/52/983133652.db2.gz	OGIGXVKWVIOMFC-XAUUPUKJSA-N	1	0	355.442	1.294	20	30		FDEDRO
COc1ccc(N2C[C@@H](NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CC2=O)cc1	ZINC000884402207	983139329	/nfs/dbraw/zinc/13/93/29/983139329.db2.gz	MZQARIDTRFQAEM-LTWWHTJUSA-N	1	0	368.437	1.056	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)OC(C)(C)C	ZINC000860037181	983184876	/nfs/dbraw/zinc/18/48/76/983184876.db2.gz	QKMMZEDBPIKQDS-SIRPWMCASA-N	1	0	361.486	1.702	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)c1cccc(C#N)c1	ZINC000884616849	983279127	/nfs/dbraw/zinc/27/91/27/983279127.db2.gz	CWFBVVYAIRZCRQ-RISCZKNCSA-N	1	0	350.369	1.096	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(OCC(N)=O)cc1)C2	ZINC001110785449	983427964	/nfs/dbraw/zinc/42/79/64/983427964.db2.gz	VHTRMPYDVVXGTI-NXHRZFHOSA-N	1	0	373.453	1.088	20	30		FDEDRO
C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1	ZINC000861541601	983770991	/nfs/dbraw/zinc/77/09/91/983770991.db2.gz	FCKVPURICXENRQ-JTQLQIEISA-N	1	0	360.805	1.141	20	30		FDEDRO
C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	ZINC000861542815	983771702	/nfs/dbraw/zinc/77/17/02/983771702.db2.gz	UGHWXGCIPWEWLB-CYBMUJFWSA-N	1	0	371.441	1.014	20	30		FDEDRO
C#C[C@H](NC(=O)NC[C@H]1COCC[NH2+]1)c1ccc(Br)cc1	ZINC000861687738	983827964	/nfs/dbraw/zinc/82/79/64/983827964.db2.gz	YBTHJLRHOAPDKI-KBPBESRZSA-N	1	0	352.232	1.411	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC1	ZINC000958443478	1014982832	/nfs/dbraw/zinc/98/28/32/1014982832.db2.gz	RBSXRRPKIUABJE-RDTXWAMCSA-N	1	0	371.485	1.583	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H](C(=O)[O-])C1)C(C)C	ZINC001588826619	984304918	/nfs/dbraw/zinc/30/49/18/984304918.db2.gz	NANLKTIXYAFZSZ-IRXDYDNUSA-N	1	0	366.506	1.343	20	30		FDEDRO
CN1CC[NH+](C2CCN(C(=O)NCc3ccc(C#N)c(F)c3)CC2)CC1	ZINC000868686452	984546509	/nfs/dbraw/zinc/54/65/09/984546509.db2.gz	DRUZAHPNTBEBFF-UHFFFAOYSA-N	1	0	359.449	1.619	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1F	ZINC000923688982	984648067	/nfs/dbraw/zinc/64/80/67/984648067.db2.gz	VCTUFOKEFQCACT-CYBMUJFWSA-N	1	0	353.419	1.216	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1	ZINC000122320573	984664174	/nfs/dbraw/zinc/66/41/74/984664174.db2.gz	HIBGUZKOFLZNGR-CZUORRHYSA-N	1	0	374.416	1.609	20	30		FDEDRO
COC(=O)C1(C#N)CCN(C(=O)NC2CCC(C)([NH+](C)C)CC2)CC1	ZINC000869010716	984746295	/nfs/dbraw/zinc/74/62/95/984746295.db2.gz	GXWPGQFPQXJOMI-UHFFFAOYSA-N	1	0	350.463	1.738	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](c3ncc(C(=O)OC)s3)C2)CC1	ZINC000884763503	984766946	/nfs/dbraw/zinc/76/69/46/984766946.db2.gz	AWYADLHDQZQUKH-CQSZACIVSA-N	1	0	361.467	1.591	20	30		FDEDRO
C[NH+](C)[C@@H](CC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccccc1	ZINC000885315129	985327124	/nfs/dbraw/zinc/32/71/24/985327124.db2.gz	NKHQEXWRHVEELL-RYRKJORJSA-N	1	0	361.467	1.076	20	30		FDEDRO
C=C(Br)COC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C	ZINC000869832499	985382897	/nfs/dbraw/zinc/38/28/97/985382897.db2.gz	SMPRNZMZNKXJNJ-JTQLQIEISA-N	1	0	351.241	1.893	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H]2CCNC(=O)CC2)c[nH]1	ZINC001095337406	986093814	/nfs/dbraw/zinc/09/38/14/986093814.db2.gz	USLRHJMBCAHTJJ-IEAZIUSSSA-N	1	0	355.442	1.138	20	30		FDEDRO
CC(C)[C@H](C[NH+](C)C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000870569225	986125747	/nfs/dbraw/zinc/12/57/47/986125747.db2.gz	PNWCEJMHGOHSDK-BBRMVZONSA-N	1	0	367.471	1.354	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)OC(C)(C)C)C1	ZINC000886430490	986210957	/nfs/dbraw/zinc/21/09/57/986210957.db2.gz	OHNBRYOWLBPKRJ-IBGZPJMESA-N	1	0	367.490	1.539	20	30		FDEDRO
C#CCN(C(=O)c1ccc(S(N)(=O)=O)c(Cl)c1)C1CC[NH+](C)CC1	ZINC000886574724	986374495	/nfs/dbraw/zinc/37/44/95/986374495.db2.gz	QJFMNULTOFQVDY-UHFFFAOYSA-N	1	0	369.874	1.157	20	30		FDEDRO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)CC1	ZINC000886575424	986375467	/nfs/dbraw/zinc/37/54/67/986375467.db2.gz	SFODRWOCTWRRMD-LTIDMASMSA-N	1	0	374.510	1.160	20	30		FDEDRO
C#CCN(C(=O)c1cc(N2C[C@@H](C)O[C@@H](C)C2)ccn1)C1CC[NH+](C)CC1	ZINC000886577445	986377194	/nfs/dbraw/zinc/37/71/94/986377194.db2.gz	ISRQCDKFKCKLSH-CALCHBBNSA-N	1	0	370.497	1.865	20	30		FDEDRO
C#CCN(C(=O)Cc1c(C)nc2c(c(=O)[nH]n2C)c1C)C1CC[NH+](C)CC1	ZINC000886582559	986385260	/nfs/dbraw/zinc/38/52/60/986385260.db2.gz	ZQCHDGQGYBZEEY-UHFFFAOYSA-N	1	0	369.469	1.389	20	30		FDEDRO
C#CCN(C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)C1CC[NH+](C)CC1	ZINC000886583510	986387196	/nfs/dbraw/zinc/38/71/96/986387196.db2.gz	SQCXMQRXBJLJIO-UHFFFAOYSA-N	1	0	368.412	1.541	20	30		FDEDRO
C#CCN(C(=O)C1CCN(C(=O)N2CCCC2)CC1)C1CC[NH+](C)CC1	ZINC000886583334	986387688	/nfs/dbraw/zinc/38/76/88/986387688.db2.gz	LYXXHGHLVRKAFZ-UHFFFAOYSA-N	1	0	360.502	1.470	20	30		FDEDRO
C#CCN(C(=O)CCC(=O)N1CCc2sccc2C1)C1CC[NH+](C)CC1	ZINC000886583128	986388282	/nfs/dbraw/zinc/38/82/82/986388282.db2.gz	BVRWLTVRDAZYQZ-UHFFFAOYSA-N	1	0	373.522	1.969	20	30		FDEDRO
C#CCN(C(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1)C1CC[NH+](C)CC1	ZINC000886587148	986392686	/nfs/dbraw/zinc/39/26/86/986392686.db2.gz	IMVPWMZYTYSIBC-FQEVSTJZSA-N	1	0	371.481	1.819	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H](Cc3nc(C)cs3)C2)CC1	ZINC000886693409	986478752	/nfs/dbraw/zinc/47/87/52/986478752.db2.gz	AIXVHLAGFAZJJY-QGZVFWFLSA-N	1	0	360.527	1.483	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)CC2)cc1	ZINC000870981384	986558651	/nfs/dbraw/zinc/55/86/51/986558651.db2.gz	ISVRMTLGQQFYHY-LJQANCHMSA-N	1	0	364.453	1.642	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)C2CC[NH2+]CC2)c1	ZINC000870985438	986561724	/nfs/dbraw/zinc/56/17/24/986561724.db2.gz	CJZXXVJNRBFQRZ-CYBMUJFWSA-N	1	0	351.472	1.269	20	30		FDEDRO
CCCCCCCCOCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1	ZINC000870998851	986574161	/nfs/dbraw/zinc/57/41/61/986574161.db2.gz	IBQUFCSPMHCTHY-BBWFWOEESA-N	1	0	367.490	1.757	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1COc2cccc(Br)c2C1	ZINC000871008171	986590008	/nfs/dbraw/zinc/59/00/08/986590008.db2.gz	PTQYIOOHPDRDAO-GXFFZTMASA-N	1	0	352.232	1.890	20	30		FDEDRO
C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]2[C@H](CC[N@H+]2C)C1	ZINC000871054129	986622246	/nfs/dbraw/zinc/62/22/46/986622246.db2.gz	OCNNDIAFPBJTOR-CABCVRRESA-N	1	0	367.457	1.642	20	30		FDEDRO
COCCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)[C@H]1CCC[C@H]1C#N	ZINC000871085263	986657790	/nfs/dbraw/zinc/65/77/90/986657790.db2.gz	SBAPJKOOJCIDIU-YVSFHVDLSA-N	1	0	374.489	1.589	20	30		FDEDRO
COC[C@@H]([NH2+]CC#CCN1C(=O)c2ccccc2C1=O)[C@@H]1CCCOC1	ZINC000886917694	986738541	/nfs/dbraw/zinc/73/85/41/986738541.db2.gz	IIFNPXOZIIQBGV-CRAIPNDOSA-N	1	0	356.422	1.317	20	30		FDEDRO
COC(=O)CCN(CC#N)C(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1	ZINC000871340770	986909967	/nfs/dbraw/zinc/90/99/67/986909967.db2.gz	GKPAYCMAUJAVJQ-UHFFFAOYSA-N	1	0	372.469	1.746	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(C#N)c1	ZINC000871804687	987249482	/nfs/dbraw/zinc/24/94/82/987249482.db2.gz	FVCITWOXSZHAFP-BHYGNILZSA-N	1	0	363.483	1.774	20	30		FDEDRO
N#Cc1c(Cl)cccc1S(=O)(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1	ZINC000871812893	987264428	/nfs/dbraw/zinc/26/44/28/987264428.db2.gz	DKJIJPDPMYNSHV-PSASIEDQSA-N	1	0	367.780	1.969	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC(=O)c3ccccc3O2)cc1	ZINC000872233745	987531860	/nfs/dbraw/zinc/53/18/60/987531860.db2.gz	WJVHDCGHSXMRNV-RDJZCZTQSA-N	1	0	352.390	1.922	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CC(=O)c2ccccc2O1	ZINC000872233528	987531899	/nfs/dbraw/zinc/53/18/99/987531899.db2.gz	UCPYOGUQYUDLCM-JKSUJKDBSA-N	1	0	352.390	1.922	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CC(=O)c3ccccc3O2)cc1	ZINC000872233170	987532177	/nfs/dbraw/zinc/53/21/77/987532177.db2.gz	OSPKNEULILHZOH-OAHLLOKOSA-N	1	0	370.430	1.956	20	30		FDEDRO
C#CCCC[N@H+]1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1	ZINC000872296701	987580866	/nfs/dbraw/zinc/58/08/66/987580866.db2.gz	WTCMHZMWYIPLOZ-OAGGEKHMSA-N	1	0	363.458	1.914	20	30		FDEDRO
C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N	ZINC000796574252	1015319853	/nfs/dbraw/zinc/31/98/53/1015319853.db2.gz	HTQAYFYACXCEFT-JLJPHGGASA-N	1	0	366.421	1.695	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1	ZINC000872448939	987669030	/nfs/dbraw/zinc/66/90/30/987669030.db2.gz	JWQYCFCUJMTMAP-QGZVFWFLSA-N	1	0	362.499	1.267	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)NCc1ccnc(OCC[NH+](C)C)c1	ZINC000872467732	987691605	/nfs/dbraw/zinc/69/16/05/987691605.db2.gz	ORSFRGRXDMTILZ-UHFFFAOYSA-N	1	0	374.466	1.681	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N2CCC([N@@H+]3CCCOCC3)CC2)c(C#N)c1	ZINC000872494447	987718828	/nfs/dbraw/zinc/71/88/28/987718828.db2.gz	CXXJMABJEFTXNR-UHFFFAOYSA-N	1	0	363.483	1.742	20	30		FDEDRO
N#Cc1c(Cl)cccc1S(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO	ZINC000872617479	987864280	/nfs/dbraw/zinc/86/42/80/987864280.db2.gz	LHPHZRSUYGJEJV-NWDGAFQWSA-N	1	0	355.847	1.041	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(C(=O)NCC(C)C)cc1	ZINC000293244195	988002254	/nfs/dbraw/zinc/00/22/54/988002254.db2.gz	DBNCYRRCBSEYQW-UHFFFAOYSA-N	1	0	372.469	1.082	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2	ZINC000293503841	988093049	/nfs/dbraw/zinc/09/30/49/988093049.db2.gz	XLMCSIDQFUHWCF-HXUWFJFHSA-N	1	0	373.428	1.721	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000299179808	988206610	/nfs/dbraw/zinc/20/66/10/988206610.db2.gz	UYVMXEHRXKYXOL-HOCLYGCPSA-N	1	0	356.426	1.638	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)nc1	ZINC000293851701	988235060	/nfs/dbraw/zinc/23/50/60/988235060.db2.gz	YJSZFILHPRFXFB-MRXNPFEDSA-N	1	0	355.442	1.805	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CCCn1c2ccc([N+](=O)[O-])cc2oc1=O	ZINC000293903365	988253689	/nfs/dbraw/zinc/25/36/89/988253689.db2.gz	FJMNJRAILXTTEL-UHFFFAOYSA-N	1	0	374.397	1.354	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C[N@@H+]1C1CC1	ZINC000872932921	988304422	/nfs/dbraw/zinc/30/44/22/988304422.db2.gz	RVHHFMXTHGKXGU-ZBFHGGJFSA-N	1	0	354.458	1.410	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1	ZINC000872962720	988342999	/nfs/dbraw/zinc/34/29/99/988342999.db2.gz	ATPSESLTBURDAN-FXAWDEMLSA-N	1	0	356.470	1.452	20	30		FDEDRO
COc1ccc(C[N@@H+]2CCCN(C(=O)CN(C)[C@H](C)CC#N)CC2)cc1	ZINC000366094941	988398269	/nfs/dbraw/zinc/39/82/69/988398269.db2.gz	KYGGZALITVJPIO-QGZVFWFLSA-N	1	0	358.486	1.963	20	30		FDEDRO
C[NH+]1CCC(N2CC[C@H](NC(=O)C#Cc3ccc4c(c3)OCO4)C2)CC1	ZINC000366126046	988440793	/nfs/dbraw/zinc/44/07/93/988440793.db2.gz	LUJSBHAGLQCBLP-INIZCTEOSA-N	1	0	355.438	1.052	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(C(=O)NCCC(=O)OC)cc2)CC1	ZINC000299451013	988490260	/nfs/dbraw/zinc/49/02/60/988490260.db2.gz	PKVRNIBHVROTBF-UHFFFAOYSA-N	1	0	371.437	1.263	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1Cl	ZINC000873102840	988550280	/nfs/dbraw/zinc/55/02/80/988550280.db2.gz	AZYAMCVSAZCDTJ-MWLCHTKSSA-N	1	0	374.750	1.746	20	30		FDEDRO
C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)C2	ZINC000873106609	988565129	/nfs/dbraw/zinc/56/51/29/988565129.db2.gz	CDQPICBBQVKZTH-APPDUMDISA-N	1	0	364.352	1.166	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1	ZINC000873106721	988565176	/nfs/dbraw/zinc/56/51/76/988565176.db2.gz	KHYXUMKGHIMHQH-RYUDHWBXSA-N	1	0	369.343	1.233	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[NH+]2CCC(C(=O)Nc3cnccn3)CC2)cc1	ZINC000366271765	988592005	/nfs/dbraw/zinc/59/20/05/988592005.db2.gz	QDEXNWJCXNVTFM-QGZVFWFLSA-N	1	0	351.410	1.732	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)CC1	ZINC000299564596	988598938	/nfs/dbraw/zinc/59/89/38/988598938.db2.gz	XSIYKMVAMWPGAN-FQEVSTJZSA-N	1	0	367.493	1.682	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1	ZINC000366308908	988610684	/nfs/dbraw/zinc/61/06/84/988610684.db2.gz	JCPOXOZBKUTDDB-DLBZAZTESA-N	1	0	368.437	1.145	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(-n2ccnc2C)c(F)c1	ZINC000362277653	988620626	/nfs/dbraw/zinc/62/06/26/988620626.db2.gz	DVQOGKOLFWASSQ-LBPRGKRZSA-N	1	0	359.405	1.982	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC2(C[C@H]2C(=O)N2CCCC2)CC1	ZINC000362341276	988637772	/nfs/dbraw/zinc/63/77/72/988637772.db2.gz	NBTKGTCNDYBZEV-SJORKVTESA-N	1	0	360.502	1.719	20	30		FDEDRO
C[C@H]1CN(C(=O)NCc2ccc(C#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000362412759	988657434	/nfs/dbraw/zinc/65/74/34/988657434.db2.gz	IDSAQUBUSCSMIF-LPHOPBHVSA-N	1	0	355.486	1.726	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1	ZINC000362619593	988688182	/nfs/dbraw/zinc/68/81/82/988688182.db2.gz	CHOOLZMQJOEVHT-MRXNPFEDSA-N	1	0	357.458	1.124	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000362705439	988710127	/nfs/dbraw/zinc/71/01/27/988710127.db2.gz	LTPIDGUWBFFQAZ-RDJZCZTQSA-N	1	0	356.470	1.610	20	30		FDEDRO
C=CCn1c([C@@H]2CCCO2)nnc1N1CCN(c2ccnc(C)n2)CC1	ZINC000295822662	988780607	/nfs/dbraw/zinc/78/06/07/988780607.db2.gz	BXNKSWOGVIOKDQ-HNNXBMFYSA-N	1	0	355.446	1.741	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1	ZINC000366832144	988803718	/nfs/dbraw/zinc/80/37/18/988803718.db2.gz	PULVRXFEBVHUKE-HZUKXOBISA-N	1	0	362.405	1.087	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1	ZINC000363076385	988904393	/nfs/dbraw/zinc/90/43/93/988904393.db2.gz	OEEFAKUQHNRSLF-UHFFFAOYSA-N	1	0	374.529	1.812	20	30		FDEDRO
CC(C)c1nc(CN2CCC[N@H+](CCC(=O)N(C)CCC#N)CC2)no1	ZINC000363108172	988925262	/nfs/dbraw/zinc/92/52/62/988925262.db2.gz	QMWWQECQKHQRPN-UHFFFAOYSA-N	1	0	362.478	1.463	20	30		FDEDRO
CCN(C(=O)NCC(=O)NCC#N)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1	ZINC000367576426	988956172	/nfs/dbraw/zinc/95/61/72/988956172.db2.gz	PHUUVXKRYFELLP-RDJZCZTQSA-N	1	0	357.458	1.493	20	30		FDEDRO
COCC[N@H+](C)CCNC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1	ZINC000363171191	988969883	/nfs/dbraw/zinc/96/98/83/988969883.db2.gz	UPJQUOJTLACUBP-QGZVFWFLSA-N	1	0	359.474	1.173	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000363185108	988977097	/nfs/dbraw/zinc/97/70/97/988977097.db2.gz	PMDLORAEMYNQJO-ROUUACIJSA-N	1	0	374.510	1.954	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1C#N	ZINC000873688295	988994602	/nfs/dbraw/zinc/99/46/02/988994602.db2.gz	NXFGVYLGYYQJKX-KBPBESRZSA-N	1	0	358.442	1.742	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(CC(=O)N2CCOCC2)CC1	ZINC000368803267	989009064	/nfs/dbraw/zinc/00/90/64/989009064.db2.gz	WBCZHUVYJKUGRM-KRWDZBQOSA-N	1	0	363.502	1.536	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC2CCN(c3nc4ccccc4[nH]3)CC2)CC1	ZINC000369027459	989020216	/nfs/dbraw/zinc/02/02/16/989020216.db2.gz	OJQBQUXXQWTTIW-UHFFFAOYSA-N	1	0	365.481	1.993	20	30		FDEDRO
N#Cc1ccc(C[C@H](C#N)C(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)cc1	ZINC000369101941	989025520	/nfs/dbraw/zinc/02/55/20/989025520.db2.gz	STKGZDMZFIECAS-VAMGGRTRSA-N	1	0	366.465	1.858	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)N1CCC(C#N)(c2ccccn2)CC1	ZINC000369122477	989026896	/nfs/dbraw/zinc/02/68/96/989026896.db2.gz	QSZPXVHDXMVFHO-UHFFFAOYSA-N	1	0	359.474	1.617	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1ccc(F)cc1	ZINC000369222198	989035209	/nfs/dbraw/zinc/03/52/09/989035209.db2.gz	ZYUACYLDGCYJGT-QZTJIDSGSA-N	1	0	359.449	1.810	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc1	ZINC000363258024	989038739	/nfs/dbraw/zinc/03/87/39/989038739.db2.gz	COBXFWQETSJKDX-BZSNNMDCSA-N	1	0	352.438	1.231	20	30		FDEDRO
Cc1oc(NC(=O)CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(C#N)c1C	ZINC000369264792	989039541	/nfs/dbraw/zinc/03/95/41/989039541.db2.gz	IQMVAKADYZIUIB-KDOFPFPSSA-N	1	0	373.501	1.664	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1C#N	ZINC000873717908	989053310	/nfs/dbraw/zinc/05/33/10/989053310.db2.gz	HAEODJYVXCQMSY-AWEZNQCLSA-N	1	0	358.442	1.742	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N[C@@H](CN1CCCC1=O)c1ccccc1	ZINC000296235606	989059251	/nfs/dbraw/zinc/05/92/51/989059251.db2.gz	AWEDEVHLCYKLIW-SFHVURJKSA-N	1	0	356.470	1.604	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C(=O)Nc3ccccn3)C2)CC1	ZINC000363295585	989068558	/nfs/dbraw/zinc/06/85/58/989068558.db2.gz	IGCISOIIUNAHHD-QGZVFWFLSA-N	1	0	354.454	1.604	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)cc1	ZINC000296338644	989131434	/nfs/dbraw/zinc/13/14/34/989131434.db2.gz	HFMHPUAUNABBHK-SFHVURJKSA-N	1	0	372.513	1.771	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CN2c3ccccc3O[C@H](C)C2=O)CC1	ZINC000369757685	989148821	/nfs/dbraw/zinc/14/88/21/989148821.db2.gz	NYTOARSDDHCNRS-OAHLLOKOSA-N	1	0	355.438	1.404	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)c1ccc(N2CCOC2=O)cc1	ZINC000296371721	989154747	/nfs/dbraw/zinc/15/47/47/989154747.db2.gz	OLJWZGXJWZYTAN-OAHLLOKOSA-N	1	0	358.442	1.959	20	30		FDEDRO
CN(CCC[NH+](C)C)C(=O)C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1	ZINC000873814773	989245480	/nfs/dbraw/zinc/24/54/80/989245480.db2.gz	OPQBOVUJONRQJV-UHFFFAOYSA-N	1	0	368.441	1.152	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)c1	ZINC000363540248	989280744	/nfs/dbraw/zinc/28/07/44/989280744.db2.gz	UGNXCOJBIUWETA-KFKAGJAMSA-N	1	0	369.465	1.612	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)nc3)C[C@H]2[C@@H]1c1ccccc1	ZINC000363555211	989293705	/nfs/dbraw/zinc/29/37/05/989293705.db2.gz	FBSIRSNNIXELCK-LZQZEXGQSA-N	1	0	368.462	1.877	20	30		FDEDRO
CON=C(C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)c1csc(N)n1	ZINC000873845469	989313758	/nfs/dbraw/zinc/31/37/58/989313758.db2.gz	ZXIVONZPIBBYID-ZDUSSCGKSA-N	1	0	365.434	1.634	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCc1ccncc1OC[C@@H]1CCOC1	ZINC000296672559	989357505	/nfs/dbraw/zinc/35/75/05/989357505.db2.gz	RLNFXXMSALGJJA-MRXNPFEDSA-N	1	0	360.458	1.251	20	30		FDEDRO
Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1	ZINC000370066003	989428534	/nfs/dbraw/zinc/42/85/34/989428534.db2.gz	FNLXERFJOSCWSM-QGZVFWFLSA-N	1	0	369.469	1.194	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCCN(c2ncccc2C#N)CC1	ZINC000363969095	989467937	/nfs/dbraw/zinc/46/79/37/989467937.db2.gz	XTAVUJCYLCEWPL-CRAIPNDOSA-N	1	0	368.485	1.658	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CCC3(CC2)CC[NH+](C)CC3)cc1	ZINC000874014053	989641853	/nfs/dbraw/zinc/64/18/53/989641853.db2.gz	SRSJMPUAULLKFC-UHFFFAOYSA-N	1	0	369.465	1.972	20	30		FDEDRO
Cc1ccn2c(c1)nnc2C1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1	ZINC000364599106	989670923	/nfs/dbraw/zinc/67/09/23/989670923.db2.gz	LFISJKCVZXYOME-HNNXBMFYSA-N	1	0	354.458	1.978	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)Oc3ccccc3C#N)C2)CC1	ZINC000370422272	989730146	/nfs/dbraw/zinc/73/01/46/989730146.db2.gz	HLBJWUDSEBPSPS-IEBWSBKVSA-N	1	0	370.497	1.952	20	30		FDEDRO
C=CCN(C(=O)N[C@H]1CCN(C)C1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000364728680	989741423	/nfs/dbraw/zinc/74/14/23/989741423.db2.gz	KYHLXAJAZAWRQT-MSOLQXFVSA-N	1	0	356.470	1.689	20	30		FDEDRO
CON=C(C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1csc(N)n1	ZINC000874102227	989750206	/nfs/dbraw/zinc/75/02/06/989750206.db2.gz	XBHDUBDIRNKICL-ZDUSSCGKSA-N	1	0	365.434	1.634	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)c1nc(Cc2ccccc2)no1	ZINC000297987869	989819743	/nfs/dbraw/zinc/81/97/43/989819743.db2.gz	OWRMNELBZAZYSK-HNNXBMFYSA-N	1	0	355.442	1.976	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cccc(OCCCC#N)c3)CC[C@@H]21	ZINC000874169057	989851662	/nfs/dbraw/zinc/85/16/62/989851662.db2.gz	BXXMKJRVLVZCSS-QAPCUYQASA-N	1	0	370.453	1.860	20	30		FDEDRO
C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)c1	ZINC000874214388	989942488	/nfs/dbraw/zinc/94/24/88/989942488.db2.gz	BPHVNLBMIMFBHO-LJQANCHMSA-N	1	0	362.433	1.842	20	30		FDEDRO
N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1	ZINC000365048424	989985451	/nfs/dbraw/zinc/98/54/51/989985451.db2.gz	YNLRTNVCQFQSJG-MJGOQNOKSA-N	1	0	366.465	1.650	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)Cc1ccc(OCC#N)cc1	ZINC000370823631	990019027	/nfs/dbraw/zinc/01/90/27/990019027.db2.gz	JXHVDNJODSRMJL-NZSAHSFTSA-N	1	0	357.454	1.842	20	30		FDEDRO
C[C@H](C#N)CN(C)C(=O)C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000298716184	990237875	/nfs/dbraw/zinc/23/78/75/990237875.db2.gz	ZZHPNMVGCIGWKU-SJLPKXTDSA-N	1	0	356.470	1.727	20	30		FDEDRO
C[NH+](C)CCn1c2cc(C(=O)NC3CCN(CC#N)CC3)ccc2[nH]c1=O	ZINC000874441003	990283176	/nfs/dbraw/zinc/28/31/76/990283176.db2.gz	DEULJBYBPBZXOL-UHFFFAOYSA-N	1	0	370.457	1.021	20	30		FDEDRO
CO/N=C/c1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1	ZINC000371355805	990378074	/nfs/dbraw/zinc/37/80/74/990378074.db2.gz	SBCUUTBOUMLVMU-FDVYSGEASA-N	1	0	358.486	1.765	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)CC1	ZINC000371414721	990415062	/nfs/dbraw/zinc/41/50/62/990415062.db2.gz	LGKADQXRKZSUEL-MSOLQXFVSA-N	1	0	361.490	1.668	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H]4[C@H]3CCC[N@H+]4C)cc2C1=O	ZINC000874848495	990577482	/nfs/dbraw/zinc/57/74/82/990577482.db2.gz	SZLGZZVJAGNZAZ-DLBZAZTESA-N	1	0	353.422	1.777	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc3c2OCCC3=O)CC1	ZINC000371651269	990597887	/nfs/dbraw/zinc/59/78/87/990597887.db2.gz	ONBKKSNHNDBERV-UHFFFAOYSA-N	1	0	357.410	1.357	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](n2cc3ccccc3n2)C1	ZINC000371650798	990598122	/nfs/dbraw/zinc/59/81/22/990598122.db2.gz	MPKWVVLRJCPVCL-KRWDZBQOSA-N	1	0	350.426	1.939	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1	ZINC000874994489	990695994	/nfs/dbraw/zinc/69/59/94/990695994.db2.gz	PFDNLFOEAMPTIZ-ZWKOTPCHSA-N	1	0	357.454	1.094	20	30		FDEDRO
C[NH+]1CCN(C(C)(C)CNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1	ZINC000875046779	990787858	/nfs/dbraw/zinc/78/78/58/990787858.db2.gz	ZAYWOINFESWIOI-GOSISDBHSA-N	1	0	355.486	1.351	20	30		FDEDRO
CC(C)[C@H](CNC(=O)N[C@H]1Cc2ccc(C#N)cc2C1)[NH+]1CCN(C)CC1	ZINC000875048675	990791140	/nfs/dbraw/zinc/79/11/40/990791140.db2.gz	VMBDFUGIYIMARH-PMACEKPBSA-N	1	0	369.513	1.597	20	30		FDEDRO
C[C@H](C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)n1cnc(C#N)n1	ZINC000409742284	990795878	/nfs/dbraw/zinc/79/58/78/990795878.db2.gz	CWOYEXWAPUXNIJ-JKSUJKDBSA-N	1	0	352.442	1.834	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1	ZINC000875061189	990813837	/nfs/dbraw/zinc/81/38/37/990813837.db2.gz	WUBDBHRRQGXPIU-RTBURBONSA-N	1	0	371.481	1.484	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000371977577	990870973	/nfs/dbraw/zinc/87/09/73/990870973.db2.gz	FGJPXVZXOPXZBD-HNNXBMFYSA-N	1	0	368.478	1.316	20	30		FDEDRO
CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C#Cc3ccc4c(c3)OCO4)C2)CC1	ZINC000372012484	990893298	/nfs/dbraw/zinc/89/32/98/990893298.db2.gz	IIXBROYZZCYGLT-SFHVURJKSA-N	1	0	369.465	1.394	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1	ZINC000875113055	990914032	/nfs/dbraw/zinc/91/40/32/990914032.db2.gz	FJCUICJYIDTIMM-GPMSIDNRSA-N	1	0	351.491	1.158	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1	ZINC000372341521	991026385	/nfs/dbraw/zinc/02/63/85/991026385.db2.gz	DKFFUWMENQHPHK-QZTJIDSGSA-N	1	0	358.442	1.362	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH+]1CCC(c2nnc3cc(C)ccn32)CC1	ZINC000372548810	991202712	/nfs/dbraw/zinc/20/27/12/991202712.db2.gz	VMEBPEDIJLHUFB-UHFFFAOYSA-N	1	0	354.458	1.979	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1	ZINC000875386978	991444873	/nfs/dbraw/zinc/44/48/73/991444873.db2.gz	WHDYUVJUYXQWDI-UYFTZEKXSA-N	1	0	351.491	1.463	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1	ZINC000372857705	991606090	/nfs/dbraw/zinc/60/60/90/991606090.db2.gz	NMQSOJFVRVOKPY-PXNSSMCTSA-N	1	0	355.482	1.797	20	30		FDEDRO
CC(C)(CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1)C[NH+]1CCCC1	ZINC000875529378	991702850	/nfs/dbraw/zinc/70/28/50/991702850.db2.gz	JJYDQAANTSDBAE-UHFFFAOYSA-N	1	0	370.501	1.907	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CCCO1	ZINC000875533737	991707833	/nfs/dbraw/zinc/70/78/33/991707833.db2.gz	DEFYRHUSCGKHPY-KXBFYZLASA-N	1	0	356.470	1.826	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2	ZINC000875555193	991729917	/nfs/dbraw/zinc/72/99/17/991729917.db2.gz	LOVHFKAKTNBYEI-DLBZAZTESA-N	1	0	351.491	1.721	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@@H](O)C1	ZINC000964741306	1015658355	/nfs/dbraw/zinc/65/83/55/1015658355.db2.gz	OJLZKUSDLJPVPD-YJNKXOJESA-N	1	0	371.909	1.183	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C	ZINC000875601682	991791161	/nfs/dbraw/zinc/79/11/61/991791161.db2.gz	QBCZCTOSTTWFNT-IRXDYDNUSA-N	1	0	363.433	1.089	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1	ZINC000875623800	991821125	/nfs/dbraw/zinc/82/11/25/991821125.db2.gz	WGSNVVAUUYZCMT-JKSUJKDBSA-N	1	0	351.491	1.951	20	30		FDEDRO
C#C[C@H](NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(Cl)cc1	ZINC000875723434	991948015	/nfs/dbraw/zinc/94/80/15/991948015.db2.gz	XEBGCVYQLFQUQG-HOTGVXAUSA-N	1	0	362.861	1.653	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000875918252	992189724	/nfs/dbraw/zinc/18/97/24/992189724.db2.gz	NTQBYHWPBVXGMD-KURKYZTESA-N	1	0	350.507	1.082	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)CC2)CC[N@@H+]1C	ZINC000964853755	1015691403	/nfs/dbraw/zinc/69/14/03/1015691403.db2.gz	VJZRDUGQQRYKLG-IIAWOOMASA-N	1	0	357.458	1.337	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1	ZINC000825862577	992504088	/nfs/dbraw/zinc/50/40/88/992504088.db2.gz	CERGHVLVUGASRI-IBGZPJMESA-N	1	0	355.482	1.941	20	30		FDEDRO
C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1	ZINC000876278906	992519638	/nfs/dbraw/zinc/51/96/38/992519638.db2.gz	LJDKQPCRHOTYRZ-MOPGFXCFSA-N	1	0	356.470	1.778	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1	ZINC000876280123	992520393	/nfs/dbraw/zinc/52/03/93/992520393.db2.gz	XBDSHQFHLULCBL-GOSISDBHSA-N	1	0	356.470	1.560	20	30		FDEDRO
COC[C@]1(C[NH+](C)C)COCCN1C(=O)[C@@H](C)Cc1ccc(C#N)cc1	ZINC000876475969	992649190	/nfs/dbraw/zinc/64/91/90/992649190.db2.gz	SVRJXJYZZUBQDS-OXJNMPFZSA-N	1	0	359.470	1.542	20	30		FDEDRO
CCN1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)CC1=O	ZINC001095492244	992650992	/nfs/dbraw/zinc/65/09/92/992650992.db2.gz	XBMLAEZSCLLTTQ-RDGPPVDQSA-N	1	0	366.465	1.648	20	30		FDEDRO
CN1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)CC1=O	ZINC001095493932	992678430	/nfs/dbraw/zinc/67/84/30/992678430.db2.gz	XBVMWDXBOUTZMH-MHORFTMASA-N	1	0	352.438	1.258	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1	ZINC000876575091	992713629	/nfs/dbraw/zinc/71/36/29/992713629.db2.gz	UBJKQZSAMXAKAE-CYBMUJFWSA-N	1	0	365.817	1.170	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC1CCN(C(=O)C2CC2)CC1	ZINC000876574416	992714125	/nfs/dbraw/zinc/71/41/25/992714125.db2.gz	CKIXTLCDUQAILY-SFHVURJKSA-N	1	0	352.438	1.262	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)cc1	ZINC000411967033	992743125	/nfs/dbraw/zinc/74/31/25/992743125.db2.gz	CUPCMYXGRVSVCS-RBUKOAKNSA-N	1	0	362.433	1.375	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cccc(C(=O)N2CCOCC2)c1C	ZINC000876620531	992747878	/nfs/dbraw/zinc/74/78/78/992747878.db2.gz	ONCIBHPHGZMPKF-CQSZACIVSA-N	1	0	351.834	1.876	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@]2(C1)CC(=O)c1ccccc1O2	ZINC000411989102	992754359	/nfs/dbraw/zinc/75/43/59/992754359.db2.gz	QYVPKUPVGJHSPA-ORAYPTAESA-N	1	0	357.410	1.497	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC[C@H](N2CCCC2=O)C1	ZINC000876651928	992772376	/nfs/dbraw/zinc/77/23/76/992772376.db2.gz	CXHMKOGRHFMVDH-LPHOPBHVSA-N	1	0	352.438	1.358	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1	ZINC000876659885	992778646	/nfs/dbraw/zinc/77/86/46/992778646.db2.gz	IPVIOHBUXRKXCW-MJGOQNOKSA-N	1	0	366.465	1.606	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1	ZINC000876673013	992785465	/nfs/dbraw/zinc/78/54/65/992785465.db2.gz	IHDNOCAARUDQME-CQSZACIVSA-N	1	0	356.253	1.981	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1	ZINC000876711464	992817796	/nfs/dbraw/zinc/81/77/96/992817796.db2.gz	YWGHZEQTTBLCON-JKSUJKDBSA-N	1	0	355.841	1.785	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](NC(=O)[C@@H]3C[C@H]3C3CC3)CC2)CC1	ZINC000964941557	1015740698	/nfs/dbraw/zinc/74/06/98/1015740698.db2.gz	LJYPUKHUIFMFIW-HSALFYBXSA-N	1	0	371.525	1.875	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1	ZINC000876779202	992904230	/nfs/dbraw/zinc/90/42/30/992904230.db2.gz	XLVLCEYWUVRUCL-WBMJQRKESA-N	1	0	353.850	1.869	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NCCC[C@@H]2CCC[NH2+]2)s1	ZINC000876867672	992942397	/nfs/dbraw/zinc/94/23/97/992942397.db2.gz	IZDLJIGADPVENM-ZDUSSCGKSA-N	1	0	371.528	1.403	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[C@@H](OCc2ccccn2)C1	ZINC000876900804	992959222	/nfs/dbraw/zinc/95/92/22/992959222.db2.gz	RHFQVYKDMPHMPO-QUCCMNQESA-N	1	0	362.433	1.958	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC(c3ccc(OC)c(C)c3)=NO2)CC1	ZINC000374869439	992959858	/nfs/dbraw/zinc/95/98/58/992959858.db2.gz	RSUAIYIVODSKDC-GOSISDBHSA-N	1	0	369.465	1.958	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC[C@H](Cn2ccnn2)C1	ZINC000876901169	992959985	/nfs/dbraw/zinc/95/99/85/992959985.db2.gz	ALOBWQVWHMTEKR-MAUKXSAKSA-N	1	0	350.426	1.275	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H](CNC(=O)c3ccco3)C2)CC1	ZINC000374872524	992961528	/nfs/dbraw/zinc/96/15/28/992961528.db2.gz	GSSSCEJITVKOTB-MRXNPFEDSA-N	1	0	357.454	1.593	20	30		FDEDRO
N#CC1(NC(=O)COC[C@@H]2CCOC2)CC[NH+](Cc2ccccc2)CC1	ZINC000374889210	992964701	/nfs/dbraw/zinc/96/47/01/992964701.db2.gz	AVIUZHJRMYZEPG-GOSISDBHSA-N	1	0	357.454	1.714	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)s1	ZINC000876919406	992967374	/nfs/dbraw/zinc/96/73/74/992967374.db2.gz	VURAZBCLHZZGAE-STQMWFEESA-N	1	0	371.528	1.198	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cccc(CN2CCCS2(=O)=O)c1	ZINC000876959553	992984049	/nfs/dbraw/zinc/98/40/49/992984049.db2.gz	MUAJJIGVZNBISR-AWEZNQCLSA-N	1	0	357.863	1.631	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N(CCN1CCOCC1)CC1CC1	ZINC000876974015	992991142	/nfs/dbraw/zinc/99/11/42/992991142.db2.gz	VRQQERSSSXQODH-FQEVSTJZSA-N	1	0	368.481	1.316	20	30		FDEDRO
CC(C)(C)N1C[C@H](CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1=O	ZINC000876973655	992991239	/nfs/dbraw/zinc/99/12/39/992991239.db2.gz	MNHUKXGFNWZGEO-KSSFIOAISA-N	1	0	354.454	1.508	20	30		FDEDRO
CN1C(=O)c2ccccc2[C@H]1CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000877044005	993027863	/nfs/dbraw/zinc/02/78/63/993027863.db2.gz	PQYWMMYDDRTXCR-MOPGFXCFSA-N	1	0	360.417	1.688	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3c2ncccn2)cc1	ZINC001137116902	993063524	/nfs/dbraw/zinc/06/35/24/993063524.db2.gz	VAVRNHJGZSKKED-MSOLQXFVSA-N	1	0	351.410	1.469	20	30		FDEDRO
C=C(Cl)C[C@H](NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)C(=O)OCC	ZINC000877144624	993068932	/nfs/dbraw/zinc/06/89/32/993068932.db2.gz	RCFGVFAYWQGGKK-KGLIPLIRSA-N	1	0	354.838	1.612	20	30		FDEDRO
C[S@](=O)C1(C(=O)NC2CCN(c3ccccc3C#N)CC2)CC[NH2+]CC1	ZINC000877175521	993088687	/nfs/dbraw/zinc/08/86/87/993088687.db2.gz	KMAVRLCXYYLWII-SANMLTNESA-N	1	0	374.510	1.144	20	30		FDEDRO
C[C@]1(C(F)(F)F)CN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CCO1	ZINC000877234974	993127598	/nfs/dbraw/zinc/12/75/98/993127598.db2.gz	KNWJHCFXDOUFGH-GOEBONIOSA-N	1	0	353.344	1.925	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)s1	ZINC000877273846	993168907	/nfs/dbraw/zinc/16/89/07/993168907.db2.gz	RMFCQCIUBQZZRH-KGLIPLIRSA-N	1	0	369.512	1.108	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)ccc1F	ZINC000877285693	993177346	/nfs/dbraw/zinc/17/73/46/993177346.db2.gz	WWRUVKWEAJEDHP-HUUCEWRRSA-N	1	0	367.446	1.257	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@H](C)C(=O)NC1CC1	ZINC001095537769	993299654	/nfs/dbraw/zinc/29/96/54/993299654.db2.gz	IHNORVODMYFXPD-SIXLDLHFSA-N	1	0	356.470	1.676	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)Cc2cccn(C(F)F)c2=O)n1	ZINC000877484480	993301122	/nfs/dbraw/zinc/30/11/22/993301122.db2.gz	HRZRHISXMYNTAU-UHFFFAOYSA-N	1	0	350.369	1.722	20	30		FDEDRO
CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2N(C)C)C1	ZINC000877662056	993419689	/nfs/dbraw/zinc/41/96/89/993419689.db2.gz	LOMCPEMYVBHDMI-OAHLLOKOSA-N	1	0	350.488	1.385	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2c(Br)nc3n2CCC3)CC1	ZINC000826012435	993625677	/nfs/dbraw/zinc/62/56/77/993625677.db2.gz	HPZRSRHAPITHIZ-UHFFFAOYSA-N	1	0	365.275	1.809	20	30		FDEDRO
C=CC[C@@H](C(=O)OC)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000878606668	994057702	/nfs/dbraw/zinc/05/77/02/994057702.db2.gz	NONKHYASVHPMBX-UXHICEINSA-N	1	0	357.498	1.996	20	30		FDEDRO
C#CCC[NH+]1CCN(Cc2csc(-c3c(C)c(C)nn(C)c3=O)n2)CC1	ZINC000127270965	994097413	/nfs/dbraw/zinc/09/74/13/994097413.db2.gz	HSVHCFCFYFZJGS-UHFFFAOYSA-N	1	0	371.510	1.662	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1	ZINC000470816844	994134655	/nfs/dbraw/zinc/13/46/55/994134655.db2.gz	RBCWKTGVJNIFMF-PMPSAXMXSA-N	1	0	362.453	1.081	20	30		FDEDRO
CC(C)[C@@H]([NH2+]Cc1ccc(C#N)cc1)C(=O)N(C)Cc1nnc2n1CCC2	ZINC000471000192	994230528	/nfs/dbraw/zinc/23/05/28/994230528.db2.gz	DZZGHXMYYVFUBM-LJQANCHMSA-N	1	0	366.469	1.869	20	30		FDEDRO
CC(C)[C@@H]([NH2+]Cc1cccc(C#N)c1)C(=O)N(C)Cc1nnc2n1CCC2	ZINC000471015366	994232257	/nfs/dbraw/zinc/23/22/57/994232257.db2.gz	VTNFAKIFZBJQTJ-LJQANCHMSA-N	1	0	366.469	1.869	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCCCCCNC(=O)CC2)cc1	ZINC000879253305	994701271	/nfs/dbraw/zinc/70/12/71/994701271.db2.gz	RRWNKSXKWYBJDL-GOSISDBHSA-N	1	0	359.470	1.875	20	30		FDEDRO
COc1ccc(N2CC[NH+](C[C@H](O)CN(C)[C@H]3CCC[C@@H]3C#N)CC2)cc1	ZINC000879309266	994760136	/nfs/dbraw/zinc/76/01/36/994760136.db2.gz	FEPXFSLYRKLOOW-QFUCXCTJSA-N	1	0	372.513	1.802	20	30		FDEDRO
CC1(C)NC(=O)N(CCC[NH+]2CCN(c3ccc(C#N)cc3)CC2)C1=O	ZINC000879586019	995050905	/nfs/dbraw/zinc/05/09/05/995050905.db2.gz	VVZQMCLBTGFUQA-UHFFFAOYSA-N	1	0	355.442	1.401	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C2CC3(CC(NC(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)C3)C2)C1=O	ZINC000965228978	1015943721	/nfs/dbraw/zinc/94/37/21/1015943721.db2.gz	FDECPLJGDBEMCF-JUMWMRPISA-N	1	0	373.497	1.358	20	30		FDEDRO
C#CC[N@@H+](C)CCCN1C(=O)[C@@H](c2cc(F)c(F)c(F)c2)N(C)C1=O	ZINC000925308502	995477619	/nfs/dbraw/zinc/47/76/19/995477619.db2.gz	QUEJZKMFIBHEPR-OAHLLOKOSA-N	1	0	353.344	1.994	20	30		FDEDRO
C[C@@H]1[C@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC[N@@H+]1C	ZINC000925318979	995486475	/nfs/dbraw/zinc/48/64/75/995486475.db2.gz	REFJYSGQTFSDSH-TZMCWYRMSA-N	1	0	358.446	1.348	20	30		FDEDRO
C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	ZINC000968962658	1015954187	/nfs/dbraw/zinc/95/41/87/1015954187.db2.gz	KYKYOHGRPCQORJ-QRVBRYPASA-N	1	0	365.518	1.413	20	30		FDEDRO
COC(=O)[C@]12CCC[C@H]1[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)CC2	ZINC000880179925	995710694	/nfs/dbraw/zinc/71/06/94/995710694.db2.gz	VQAAFMONHUINQG-HQRMLTQVSA-N	1	0	358.438	1.910	20	30		FDEDRO
N#CC1(C[C@@H](O)CN2CCC[C@H]([NH2+]C3CCOCC3)C2)CCOCC1	ZINC000880201568	995719999	/nfs/dbraw/zinc/71/99/99/995719999.db2.gz	OVPGAQPXDZFARY-ZWKOTPCHSA-N	1	0	351.491	1.291	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)CN2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc1	ZINC000880212933	995724434	/nfs/dbraw/zinc/72/44/34/995724434.db2.gz	OGCIBIANMBROHX-RTBURBONSA-N	1	0	359.470	1.531	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3CCNCC[NH2+]CC3)n2)c(Cl)c1	ZINC000926088521	995915588	/nfs/dbraw/zinc/91/55/88/995915588.db2.gz	CKRPCLKADZHSHL-UHFFFAOYSA-N	1	0	373.848	1.424	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)COc1ccccc1C#N)C2	ZINC000926190943	995970022	/nfs/dbraw/zinc/97/00/22/995970022.db2.gz	YPAJEVBVBMODQY-YAJHFMINSA-N	1	0	357.454	1.533	20	30		FDEDRO
CON=Cc1ccc(C(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1	ZINC000926190681	995970190	/nfs/dbraw/zinc/97/01/90/995970190.db2.gz	YXQZSDASSCURRI-MLYOOKFZSA-N	1	0	359.470	1.876	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)cc21	ZINC000926217405	995979578	/nfs/dbraw/zinc/97/95/78/995979578.db2.gz	SOGJFZJPLSXPRE-QGZVFWFLSA-N	1	0	354.458	1.734	20	30		FDEDRO
CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)[C@@H](O)c3ccc(C#N)cc3)C2)[C@H]1C(C)C	ZINC000926248106	995995357	/nfs/dbraw/zinc/99/53/57/995995357.db2.gz	YMHVEVPTXGGXAQ-YRIDSSQKSA-N	1	0	371.481	1.578	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1	ZINC000926287776	996025337	/nfs/dbraw/zinc/02/53/37/996025337.db2.gz	OMZCXFJAKHXWKS-INIZCTEOSA-N	1	0	371.890	1.228	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1	ZINC000926314685	996048615	/nfs/dbraw/zinc/04/86/15/996048615.db2.gz	NLZOPRPTSQUWGH-DOTOQJQBSA-N	1	0	359.470	1.653	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1	ZINC000926314687	996048630	/nfs/dbraw/zinc/04/86/30/996048630.db2.gz	NLZOPRPTSQUWGH-NVXWUHKLSA-N	1	0	359.470	1.653	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2	ZINC000926315296	996049059	/nfs/dbraw/zinc/04/90/59/996049059.db2.gz	PSBPTMPBKUWUSQ-OAQYLSRUSA-N	1	0	371.481	1.954	20	30		FDEDRO
C#CCN(C)C(=O)NCCCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1	ZINC000927126130	996464786	/nfs/dbraw/zinc/46/47/86/996464786.db2.gz	JKAJLGGVKZAOTR-UHFFFAOYSA-N	1	0	366.506	1.984	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1)C(=O)N(C)CCC#N	ZINC000887113694	996942874	/nfs/dbraw/zinc/94/28/74/996942874.db2.gz	BFEZIPPONKGJGY-JGFGOQIWSA-N	1	0	364.396	1.587	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CCOCC1	ZINC000887124789	996955193	/nfs/dbraw/zinc/95/51/93/996955193.db2.gz	UHFHJLBYPVYGRD-SFHVURJKSA-N	1	0	360.429	1.888	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[C@H]1C[NH+](C)C	ZINC000263897589	997344854	/nfs/dbraw/zinc/34/48/54/997344854.db2.gz	BGCSZGFERZUJGD-INIZCTEOSA-N	1	0	354.458	1.703	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(C(=O)NCC#Cc3ccccc3)CC2)c1	ZINC000264064909	997393021	/nfs/dbraw/zinc/39/30/21/997393021.db2.gz	FGFMOADTWKTQNC-UHFFFAOYSA-N	1	0	350.422	1.974	20	30		FDEDRO
CCN(CC)C(=[NH2+])NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1	ZINC000264063431	997393568	/nfs/dbraw/zinc/39/35/68/997393568.db2.gz	AEQAGZMOSYQHDG-INIZCTEOSA-N	1	0	362.474	1.517	20	30		FDEDRO
COc1ccccc1CNC(=[NH2+])NCc1ccc(OCC(N)=O)c(OC)c1	ZINC000264085427	997399757	/nfs/dbraw/zinc/39/97/57/997399757.db2.gz	JGAPJZASQZNBFX-UHFFFAOYSA-N	1	0	372.425	1.172	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCCNC(=O)c2ccccc2)cc1OC	ZINC000264110575	997403936	/nfs/dbraw/zinc/40/39/36/997403936.db2.gz	OVVFWOPXGGRNFN-UHFFFAOYSA-N	1	0	356.426	1.538	20	30		FDEDRO
CC(=O)Nc1ccc(CCNC(=[NH2+])N2CCN(c3ncccn3)CC2)cc1	ZINC000264126025	997406935	/nfs/dbraw/zinc/40/69/35/997406935.db2.gz	WPDBFXSDGOZEOQ-UHFFFAOYSA-N	1	0	367.457	1.114	20	30		FDEDRO
CC(C)Oc1ccccc1CNC(=[NH2+])N1CCN(c2ncccn2)CC1	ZINC000264139021	997411445	/nfs/dbraw/zinc/41/14/45/997411445.db2.gz	VXUSJUUELWKKRI-UHFFFAOYSA-N	1	0	354.458	1.901	20	30		FDEDRO
COc1ccc(COCCCNC(=[NH2+])NCCCN2CCOCC2)cc1	ZINC000264278684	997446772	/nfs/dbraw/zinc/44/67/72/997446772.db2.gz	NHKOLXFDYQSRPT-UHFFFAOYSA-N	1	0	364.490	1.229	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(C)C	ZINC000264892538	997650908	/nfs/dbraw/zinc/65/09/08/997650908.db2.gz	KDVUHNBSFSQIDH-MRXNPFEDSA-N	1	0	362.430	1.571	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)CCNC(=O)C1N=CC=CC1=O)c1cccc(F)c1	ZINC000265054110	997685553	/nfs/dbraw/zinc/68/55/53/997685553.db2.gz	PCDGPBRXFNMWQJ-IJYGLTAASA-N	1	0	374.416	1.461	20	30		FDEDRO
C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CCNC(=O)C2N=CC=CC2=O)C1	ZINC000265064615	997687896	/nfs/dbraw/zinc/68/78/96/997687896.db2.gz	UEMGXTCYDPSCMJ-MHXJISAXSA-N	1	0	362.474	1.387	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c1	ZINC000887940520	997968309	/nfs/dbraw/zinc/96/83/09/997968309.db2.gz	SLHTYAUZVWCWTH-QFBILLFUSA-N	1	0	360.479	1.507	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCN(C(=O)OC(C)(C)C)C3)CC1	ZINC000889233247	998238483	/nfs/dbraw/zinc/23/84/83/998238483.db2.gz	BROVKJMTVYFLNF-UHFFFAOYSA-N	1	0	361.486	1.801	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)NC(=O)C3)CC1	ZINC000889903972	998723102	/nfs/dbraw/zinc/72/31/02/998723102.db2.gz	PAFVLCWLRIQJJM-UHFFFAOYSA-N	1	0	356.426	1.276	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)n1	ZINC000890141526	998838489	/nfs/dbraw/zinc/83/84/89/998838489.db2.gz	LPJDVPWSKIAFNN-MRXNPFEDSA-N	1	0	355.442	1.563	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)C1	ZINC000890364263	998914484	/nfs/dbraw/zinc/91/44/84/998914484.db2.gz	YJOBWTMWVLLOAL-HTUJPFKRSA-N	1	0	362.518	1.367	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)N[C@H](C[NH+](C)C)c2ccc(OC)cc2)C1	ZINC000890364614	998915206	/nfs/dbraw/zinc/91/52/06/998915206.db2.gz	DXBOGDDKXLZNTO-IEBWSBKVSA-N	1	0	358.486	1.695	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1	ZINC000890371471	998917790	/nfs/dbraw/zinc/91/77/90/998917790.db2.gz	WBUJOVIUSFCAIU-FPOVZHCZSA-N	1	0	370.497	1.020	20	30		FDEDRO
Cc1ccc(CCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)c(C)c1	ZINC001110873299	999091975	/nfs/dbraw/zinc/09/19/75/999091975.db2.gz	QESTVEPKWVOZFI-QRVBRYPASA-N	1	0	368.481	1.597	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	ZINC000266747039	999225227	/nfs/dbraw/zinc/22/52/27/999225227.db2.gz	RHPSQUZDXBEVQQ-GOOCMWNKSA-N	1	0	356.426	1.637	20	30		FDEDRO
C[C@H](CNC(=O)CCNC(=O)C1N=CC=CC1=O)[N@H+](C)Cc1ccccc1	ZINC000266829793	999241880	/nfs/dbraw/zinc/24/18/80/999241880.db2.gz	KQUOGUSWUXZBPO-MVZUJROASA-N	1	0	370.453	1.540	20	30		FDEDRO
CN(C)[C@H](CNC(=[NH2+])NCCCN1CCOCC1)c1c(F)cccc1F	ZINC000267459773	999341704	/nfs/dbraw/zinc/34/17/04/999341704.db2.gz	UPZGVZHUXSJTTN-MRXNPFEDSA-N	1	0	369.460	1.194	20	30		FDEDRO
COc1ccccc1O[C@H](C)CNC(=[NH2+])N1CCN(c2ncccn2)CC1	ZINC000267462495	999342740	/nfs/dbraw/zinc/34/27/40/999342740.db2.gz	VQRMTOZHZMORGR-OAHLLOKOSA-N	1	0	370.457	1.389	20	30		FDEDRO
CC[C@H](CO)[NH+]1CCN(C(=O)/C=C/c2ccc(OCC#N)c(OC)c2)CC1	ZINC000269522589	999469103	/nfs/dbraw/zinc/46/91/03/999469103.db2.gz	QMPSVNWZMHNESN-QQOXCAACSA-N	1	0	373.453	1.526	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1cc(OC)ncn1)C(C)C	ZINC000273898099	999731883	/nfs/dbraw/zinc/73/18/83/999731883.db2.gz	FBLBPZRWKKOEOR-AWEZNQCLSA-N	1	0	361.446	1.239	20	30		FDEDRO
C#CCN(C)C(=O)C(=O)Nc1ccc(OC)c(OCC[NH+](CC)CC)c1	ZINC000283494116	999756120	/nfs/dbraw/zinc/75/61/20/999756120.db2.gz	DBVWQLIYOOLMMJ-UHFFFAOYSA-N	1	0	361.442	1.446	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@H](C)Cn1ccnc1)C(C)C	ZINC000284147508	999778197	/nfs/dbraw/zinc/77/81/97/999778197.db2.gz	YVFWZVDCYBWBBU-SJORKVTESA-N	1	0	361.490	1.203	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@H+]2C[C@@H](OC)C[C@H]2COC)c(OC)c1	ZINC000284490668	999842713	/nfs/dbraw/zinc/84/27/13/999842713.db2.gz	BYJPMMKYQQCTPI-BZSNNMDCSA-N	1	0	365.470	1.899	20	30		FDEDRO
C#CCOc1ccc(C[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)cc1	ZINC000284564375	999850806	/nfs/dbraw/zinc/85/08/06/999850806.db2.gz	OLZGHOQZYGIJDL-YLJYHZDGSA-N	1	0	352.438	1.884	20	30		FDEDRO
C=CCCCNC(=O)C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000284863312	999874771	/nfs/dbraw/zinc/87/47/71/999874771.db2.gz	KLOQBZCGDVWKIT-UHFFFAOYSA-N	1	0	372.513	1.523	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1	ZINC000284942020	999885770	/nfs/dbraw/zinc/88/57/70/999885770.db2.gz	JKVSOTLCJGIZOP-MSOLQXFVSA-N	1	0	359.470	1.332	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	ZINC000288101777	999988073	/nfs/dbraw/zinc/98/80/73/999988073.db2.gz	MGLKZETVRBTRBG-ALOPSCKCSA-N	1	0	359.470	1.968	20	30		FDEDRO
C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000288205323	999996685	/nfs/dbraw/zinc/99/66/85/999996685.db2.gz	PUHGXTNUZZDHJM-DZGCQCFKSA-N	1	0	372.473	1.533	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C	ZINC000288990529	1000066369	/nfs/dbraw/zinc/06/63/69/1000066369.db2.gz	LIFHWOYBSMANQR-HOTGVXAUSA-N	1	0	355.438	1.722	20	30		FDEDRO
C=CCc1cc(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc(OC)c1OC	ZINC000289279642	1000087097	/nfs/dbraw/zinc/08/70/97/1000087097.db2.gz	PXZGNQQAISSPNS-QGZVFWFLSA-N	1	0	359.470	1.552	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000289404415	1000096757	/nfs/dbraw/zinc/09/67/57/1000096757.db2.gz	NQLMTRGTGQYNEQ-MJGOQNOKSA-N	1	0	373.497	1.722	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@H]3C[C@H](C)[N@@H+](C4CC4)C3)CC2)c1C#N	ZINC000290815227	1000161112	/nfs/dbraw/zinc/16/11/12/1000161112.db2.gz	WFFCJZURNVQZGG-JSGCOSHPSA-N	1	0	374.514	1.780	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCNC2=O)cc1	ZINC000291137962	1000170944	/nfs/dbraw/zinc/17/09/44/1000170944.db2.gz	CMBDMEROEIPBOY-KBPBESRZSA-N	1	0	373.457	1.657	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(CC(=O)N3CCO[C@@H]4CCCC[C@H]43)C2)nc1	ZINC000292328480	1000232361	/nfs/dbraw/zinc/23/23/61/1000232361.db2.gz	WFEBITBOXLBMCY-KZNAEPCWSA-N	1	0	370.453	1.576	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)NC(C)(C)C1=O	ZINC001110929022	1001009697	/nfs/dbraw/zinc/00/96/97/1001009697.db2.gz	OYRUZKJXGAEWMS-OAGGEKHMSA-N	1	0	374.485	1.232	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)C1CCN(C(=O)OCC)CC1	ZINC000777641827	1001039316	/nfs/dbraw/zinc/03/93/16/1001039316.db2.gz	WKRLWDYTFXGRQD-CHWSQXEVSA-N	1	0	354.451	1.233	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CCC[C@H](CC[NH3+])C3)cc21	ZINC000927800338	1001059236	/nfs/dbraw/zinc/05/92/36/1001059236.db2.gz	DZJFDNISMUEZKC-CQSZACIVSA-N	1	0	355.442	1.748	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)ccc1Cl	ZINC000927841575	1001097091	/nfs/dbraw/zinc/09/70/91/1001097091.db2.gz	IBLFYIFMEDNFTM-MWLCHTKSSA-N	1	0	360.723	1.498	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNS(=O)(=O)CC	ZINC001110932905	1001203979	/nfs/dbraw/zinc/20/39/79/1001203979.db2.gz	CEAKAKMXACOZHK-VQHPVUNQSA-N	1	0	371.547	1.640	20	30		FDEDRO
C=CCCC[C@@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C(=O)OC	ZINC000928314513	1001490225	/nfs/dbraw/zinc/49/02/25/1001490225.db2.gz	SRGRHVGHDYLRRN-MRXNPFEDSA-N	1	0	360.458	1.461	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(C(=O)CC[NH+]2CCCCC2)CC1	ZINC000947044228	1001511380	/nfs/dbraw/zinc/51/13/80/1001511380.db2.gz	LEVJXXVCJZEMRU-MSOLQXFVSA-N	1	0	363.502	1.561	20	30		FDEDRO
C[C@@H]1[C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC[N@@H+]1C	ZINC000928438237	1001521095	/nfs/dbraw/zinc/52/10/95/1001521095.db2.gz	YXFJEXIVVGLGEN-PVXIVEMSSA-N	1	0	360.845	1.773	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2C[C@@H](NC(=O)OCc3ccccc3)C2)CC1	ZINC000928649815	1001607720	/nfs/dbraw/zinc/60/77/20/1001607720.db2.gz	RVKCDTNPMVRLTP-IZAXUBKRSA-N	1	0	369.465	1.905	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2C[C@@]23CCN(C(=O)OC(C)(C)C)C3)CC1	ZINC000928652940	1001609867	/nfs/dbraw/zinc/60/98/67/1001609867.db2.gz	RTBGYNUXHMAIGW-OXQOHEQNSA-N	1	0	361.486	1.847	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)COc2cccc(NC(=O)C3CC3)c2)CC1	ZINC000928657005	1001612693	/nfs/dbraw/zinc/61/26/93/1001612693.db2.gz	LZEBGWTYNWQVDZ-UHFFFAOYSA-N	1	0	355.438	1.628	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CCC(=O)N2CCOc3ccccc32)CC1	ZINC000928657907	1001613114	/nfs/dbraw/zinc/61/31/14/1001613114.db2.gz	DPFHEYWKQZLPMT-UHFFFAOYSA-N	1	0	355.438	1.406	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H](NC(=O)c2ccc(C)cc2)C(C)C)CC1	ZINC000928661021	1001615696	/nfs/dbraw/zinc/61/56/96/1001615696.db2.gz	KRYYTMJXSAVJBP-LJQANCHMSA-N	1	0	355.482	1.963	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCCCN(C)c1ccccc1)C1CC[NH+](C)CC1	ZINC000929191102	1001799820	/nfs/dbraw/zinc/79/98/20/1001799820.db2.gz	HSTKETFWKJZCFT-UHFFFAOYSA-N	1	0	370.497	1.185	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@]2(C)CCCN(c3nccnc3C#N)C2)CC[N@@H+]1C	ZINC001110963945	1001799901	/nfs/dbraw/zinc/79/99/01/1001799901.db2.gz	QXDDFHCHHAVVTK-VPWXQRGCSA-N	1	0	370.501	1.801	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCCc1cccc(Cl)c1)C1CC[NH+](C)CC1	ZINC000929208911	1001819129	/nfs/dbraw/zinc/81/91/29/1001819129.db2.gz	JBYIEBAHFVDPJJ-UHFFFAOYSA-N	1	0	361.873	1.555	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC000948209584	1002180996	/nfs/dbraw/zinc/18/09/96/1002180996.db2.gz	UZXGYSSEHARPEM-XYPHTWIQSA-N	1	0	357.458	1.337	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H](C)COc1ccccc1)C1CC[NH+](C)CC1	ZINC000929601225	1002248668	/nfs/dbraw/zinc/24/86/68/1002248668.db2.gz	LEYNRJQEMRMBRR-INIZCTEOSA-N	1	0	357.454	1.126	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N(C)Cc1cc(C#N)cs1	ZINC000929695180	1002354814	/nfs/dbraw/zinc/35/48/14/1002354814.db2.gz	MCIXQQJHGNUIBM-UONOGXRCSA-N	1	0	362.499	1.815	20	30		FDEDRO
C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C)[NH+]1CCCCCC1	ZINC000948458564	1002362756	/nfs/dbraw/zinc/36/27/56/1002362756.db2.gz	XFBQIZLCTBMRCD-RVKKMQEKSA-N	1	0	371.485	1.728	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1	ZINC000948459693	1002366680	/nfs/dbraw/zinc/36/66/80/1002366680.db2.gz	PFVCNCWQJRZYMZ-XWIAVFTESA-N	1	0	369.469	1.337	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1	ZINC000948475142	1002380627	/nfs/dbraw/zinc/38/06/27/1002380627.db2.gz	BBFHGVFIWXNQOJ-SQNIBIBYSA-N	1	0	363.502	1.559	20	30		FDEDRO
C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cc(F)ccc1C#N	ZINC001111277573	1002501965	/nfs/dbraw/zinc/50/19/65/1002501965.db2.gz	YFGNRCRPEVUWNU-QRVBRYPASA-N	1	0	374.460	1.497	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccccc2CN2CCOCC2)CC1	ZINC000929856478	1002521757	/nfs/dbraw/zinc/52/17/57/1002521757.db2.gz	JUTVIQKZGLVGNR-UHFFFAOYSA-N	1	0	356.470	1.738	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cc1	ZINC000929858736	1002523044	/nfs/dbraw/zinc/52/30/44/1002523044.db2.gz	FIVVIELZIYXHRB-ROUUACIJSA-N	1	0	372.469	1.665	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1	ZINC000965979679	1016649009	/nfs/dbraw/zinc/64/90/09/1016649009.db2.gz	YFRLTPJRTNNULJ-OWSLCNJRSA-N	1	0	363.502	1.559	20	30		FDEDRO
CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1	ZINC000948779171	1002670765	/nfs/dbraw/zinc/67/07/65/1002670765.db2.gz	KGIAFLXZQOWCQG-QRVBRYPASA-N	1	0	371.456	1.612	20	30		FDEDRO
C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)CC1	ZINC000948849438	1002757082	/nfs/dbraw/zinc/75/70/82/1002757082.db2.gz	QBSJGAYIOWBCAA-GUDVDZBRSA-N	1	0	358.486	1.624	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1ccccc1OCC=C)C1CC[NH+](C)CC1	ZINC000930124614	1002848248	/nfs/dbraw/zinc/84/82/48/1002848248.db2.gz	CAWZCARAEDOBSE-UHFFFAOYSA-N	1	0	369.465	1.424	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC000948995023	1002913299	/nfs/dbraw/zinc/91/32/99/1002913299.db2.gz	NYUPVBKFPBDDLV-CXAGYDPISA-N	1	0	357.458	1.195	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)c1ccc(C#N)cc1	ZINC000930203772	1002923947	/nfs/dbraw/zinc/92/39/47/1002923947.db2.gz	YHWFYBHZPOEKGL-LBPRGKRZSA-N	1	0	370.375	1.688	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1	ZINC000949018341	1002937616	/nfs/dbraw/zinc/93/76/16/1002937616.db2.gz	XQQYQDHZSONXCW-KBRIMQKVSA-N	1	0	357.458	1.336	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCOC2(CC[NH+](C[C@H](C)O)CC2)C1	ZINC000949095848	1002985256	/nfs/dbraw/zinc/98/52/56/1002985256.db2.gz	YPEICBIHONJUCW-BBWFWOEESA-N	1	0	352.475	1.042	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(CC[NH+](C[C@@H](C)OC)CC2)C1	ZINC000949194430	1003081939	/nfs/dbraw/zinc/08/19/39/1003081939.db2.gz	VQLLUTUJEWUOHA-ZACQAIPSSA-N	1	0	352.475	1.306	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C	ZINC000949208435	1003102223	/nfs/dbraw/zinc/10/22/23/1003102223.db2.gz	PMYWQJBYLDDNMW-NTDBWNAOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C)CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1	ZINC000949394769	1003292507	/nfs/dbraw/zinc/29/25/07/1003292507.db2.gz	CRKKJTLJMIDECI-QZTJIDSGSA-N	1	0	365.518	1.365	20	30		FDEDRO
C#Cc1ccc(NC(=O)CCN2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)cc1	ZINC000930657971	1003368919	/nfs/dbraw/zinc/36/89/19/1003368919.db2.gz	SAKONMSHPFMIDM-IBGZPJMESA-N	1	0	368.481	1.283	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)CN(Cc1ccccn1)CCO2	ZINC000949474613	1003375023	/nfs/dbraw/zinc/37/50/23/1003375023.db2.gz	CIUQWDHVAXOURC-MOPGFXCFSA-N	1	0	371.481	1.866	20	30		FDEDRO
CCO[C@@H](CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)C[NH+](C)C	ZINC000930766841	1003483220	/nfs/dbraw/zinc/48/32/20/1003483220.db2.gz	OGPPOSMDIFYJDR-ZDUSSCGKSA-N	1	0	374.420	1.971	20	30		FDEDRO
CCO[C@H](CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)C[NH+](C)C	ZINC000930766835	1003483580	/nfs/dbraw/zinc/48/35/80/1003483580.db2.gz	OGPPOSMDIFYJDR-CYBMUJFWSA-N	1	0	374.420	1.971	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)NC2CCC(C)([NH+]3CCC3)CC2)c1	ZINC000930798295	1003515991	/nfs/dbraw/zinc/51/59/91/1003515991.db2.gz	YTKYENMKQGRKCA-UHFFFAOYSA-N	1	0	353.466	1.807	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H](C)CCCc1cccnc1)C1CC[NH+](C)CC1	ZINC000930817423	1003541943	/nfs/dbraw/zinc/54/19/43/1003541943.db2.gz	ZVJBBMLWXGFWPA-QGZVFWFLSA-N	1	0	370.497	1.465	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCOC	ZINC001111291729	1003600448	/nfs/dbraw/zinc/60/04/48/1003600448.db2.gz	MKEWRWODLYNXFW-NXHRZFHOSA-N	1	0	357.454	1.855	20	30		FDEDRO
CC[NH+]1CCN(c2cccc(NC(=O)N3CCO[C@@](C)(C#N)C3)c2)CC1	ZINC000930894628	1003640763	/nfs/dbraw/zinc/64/07/63/1003640763.db2.gz	SAHYYNODMVKURG-IBGZPJMESA-N	1	0	357.458	1.975	20	30		FDEDRO
Cc1occc(=O)c1OCC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000930978521	1003735690	/nfs/dbraw/zinc/73/56/90/1003735690.db2.gz	AYFGPYJPIHZPIZ-UHFFFAOYSA-N	1	0	369.421	1.789	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)c1	ZINC000931001310	1003756696	/nfs/dbraw/zinc/75/66/96/1003756696.db2.gz	VQZSBRGEDNVTOS-INIZCTEOSA-N	1	0	372.444	1.837	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3ccc(C)o3)C2)CC1	ZINC000949864631	1003758396	/nfs/dbraw/zinc/75/83/96/1003758396.db2.gz	AAVGTEUOMWTOLQ-RHSMWYFYSA-N	1	0	357.454	1.510	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1	ZINC000931045122	1003809532	/nfs/dbraw/zinc/80/95/32/1003809532.db2.gz	YRFGYAPRRANLEV-UHFFFAOYSA-N	1	0	357.863	1.820	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)NC1CCC(C)([NH+]2CCCC2)CC1	ZINC000931094179	1003875312	/nfs/dbraw/zinc/87/53/12/1003875312.db2.gz	ODXYHDKAOUKGHC-ZRZPHAQCSA-N	1	0	363.502	1.444	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CCC(N)=O)cc1)C2	ZINC001111004626	1003907555	/nfs/dbraw/zinc/90/75/55/1003907555.db2.gz	ZZWCWYZZMVVRCU-QRVBRYPASA-N	1	0	371.481	1.642	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)CN1CC[NH+](CCc2ccncc2)CC1	ZINC000931340423	1004070480	/nfs/dbraw/zinc/07/04/80/1004070480.db2.gz	LKUOJYOVQBBXKM-HXUWFJFHSA-N	1	0	366.465	1.553	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1	ZINC000931595165	1004298503	/nfs/dbraw/zinc/29/85/03/1004298503.db2.gz	XBKZUZPBEQTDPW-KRWDZBQOSA-N	1	0	372.444	1.790	20	30		FDEDRO
COC1(OC)CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1O	ZINC000931634164	1004341494	/nfs/dbraw/zinc/34/14/94/1004341494.db2.gz	BOLMVDLEHPKPDO-HNNXBMFYSA-N	1	0	367.833	1.596	20	30		FDEDRO
C=CCC1(O)CC[NH+](CCOCCN2C(=O)c3ccccc3C2=O)CC1	ZINC000931750298	1004473024	/nfs/dbraw/zinc/47/30/24/1004473024.db2.gz	GUIDYUAPKQQZCA-UHFFFAOYSA-N	1	0	358.438	1.702	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)Nc1nc2c(s1)CC[C@H](C(=O)OC)C2	ZINC000931774210	1004485775	/nfs/dbraw/zinc/48/57/75/1004485775.db2.gz	XEGDORGZCYCMKX-LBPRGKRZSA-N	1	0	364.471	1.498	20	30		FDEDRO
N#Cc1ccsc1NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000931832444	1004524737	/nfs/dbraw/zinc/52/47/37/1004524737.db2.gz	YLPQVFGMCJCYGZ-OAHLLOKOSA-N	1	0	363.487	1.538	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([C@]2(C)COC(=O)N2)C1	ZINC000932028844	1004717350	/nfs/dbraw/zinc/71/73/50/1004717350.db2.gz	JGMWSHRWKTUXSL-DTDBQYNISA-N	1	0	350.463	1.640	20	30		FDEDRO
C#CC[C@H]1CCCN(C(=O)C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)C1	ZINC000932047572	1004734319	/nfs/dbraw/zinc/73/43/19/1004734319.db2.gz	IFECPNDTRPNEEQ-FUHWJXTLSA-N	1	0	356.470	1.453	20	30		FDEDRO
C#CC[C@@H]1CCCN(C(=O)C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)C1	ZINC000932047575	1004734334	/nfs/dbraw/zinc/73/43/34/1004734334.db2.gz	IFECPNDTRPNEEQ-SJLPKXTDSA-N	1	0	356.470	1.453	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1	ZINC000932143774	1004792692	/nfs/dbraw/zinc/79/26/92/1004792692.db2.gz	IXAWBXLYFVVJJK-MSOLQXFVSA-N	1	0	351.491	1.023	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCn1cncn1	ZINC001111040279	1005151339	/nfs/dbraw/zinc/15/13/39/1005151339.db2.gz	DGCRIJUEMKIZFR-QQXKLLMISA-N	1	0	373.501	1.761	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH+]2CCC(CO)(C(F)(F)F)CC2)CCOCC1	ZINC000932829676	1005202386	/nfs/dbraw/zinc/20/23/86/1005202386.db2.gz	HCWXVGVAYQRHHV-CYBMUJFWSA-N	1	0	350.381	1.695	20	30		FDEDRO
N#CC[C@@H](NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C(F)(F)F	ZINC000932911683	1005240229	/nfs/dbraw/zinc/24/02/29/1005240229.db2.gz	VIZKCXMBJGFKEW-LSDHHAIUSA-N	1	0	370.375	1.897	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(F)cc(OC)cc1F)C2	ZINC001111050344	1005503163	/nfs/dbraw/zinc/50/31/63/1005503163.db2.gz	LLBJGQCAAQTCAO-JLZZUVOBSA-N	1	0	364.392	1.958	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)NN2C(=O)N[C@@](CC)(c3ccccc3)C2=O)CCC1	ZINC000933298261	1005535319	/nfs/dbraw/zinc/53/53/19/1005535319.db2.gz	CMLCWOIKSXVVJA-FQEVSTJZSA-N	1	0	368.437	1.411	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+](C)C2(CNC(=O)OC(C)(C)C)CCOCC2)C1=O	ZINC000933497201	1005569760	/nfs/dbraw/zinc/56/97/60/1005569760.db2.gz	DRHMHKHPFOVJAT-OAHLLOKOSA-N	1	0	367.490	1.779	20	30		FDEDRO
Cc1noc(C[C@H]2CCC[N@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)n1	ZINC000933576854	1005582356	/nfs/dbraw/zinc/58/23/56/1005582356.db2.gz	QHWOTVKYPNRPKI-SJORKVTESA-N	1	0	356.426	1.944	20	30		FDEDRO
COc1cccc(COC[C@@H](O)C[NH+]2CCC3(CC2)CC(=O)C=CO3)c1	ZINC000933654584	1005600145	/nfs/dbraw/zinc/60/01/45/1005600145.db2.gz	ZBYCOJGHLDKSSY-SFHVURJKSA-N	1	0	361.438	1.910	20	30		FDEDRO
C=CCn1cc2ccc(NC(=O)N3CCN(CC[NH+](C)C)C(=O)C3)cc2n1	ZINC000933676105	1005605922	/nfs/dbraw/zinc/60/59/22/1005605922.db2.gz	PQGKXMJDRFBGEP-UHFFFAOYSA-N	1	0	370.457	1.460	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(OCC)c1)C2	ZINC001111065652	1005689152	/nfs/dbraw/zinc/68/91/52/1005689152.db2.gz	AKELMAIFBCSDNN-NXHRZFHOSA-N	1	0	357.454	1.723	20	30		FDEDRO
CO[C@@H]1CC[C@@H]1[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000934119111	1005695955	/nfs/dbraw/zinc/69/59/55/1005695955.db2.gz	VUEJDRJZIYLUQX-IPMKNSEASA-N	1	0	374.460	1.644	20	30		FDEDRO
N#Cc1ccc(-c2nnc(CN3CC[C@H]4[C@@H]3CCC[N@H+]4CCO)o2)cc1	ZINC000934263045	1005724775	/nfs/dbraw/zinc/72/47/75/1005724775.db2.gz	MVMFZACURYEXPN-IRXDYDNUSA-N	1	0	353.426	1.639	20	30		FDEDRO
C=CC[C@H]1CC[N@H+]1[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000934466747	1005749315	/nfs/dbraw/zinc/74/93/15/1005749315.db2.gz	MFHJTPRGSGPQJV-HIFRSBDPSA-N	1	0	351.472	1.032	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](c2ccncc2)C2CC2)CC1	ZINC000934698590	1005780705	/nfs/dbraw/zinc/78/07/05/1005780705.db2.gz	NTAGINZIELOFBC-AZUAARDMSA-N	1	0	355.486	1.815	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH+]1CCC(CN=[S@@](C)(=O)N(C)C)CC1	ZINC000934760138	1005795330	/nfs/dbraw/zinc/79/53/30/1005795330.db2.gz	YFXGBHLBPUHJLH-XMMPIXPASA-N	1	0	356.536	1.473	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCCC	ZINC001111106892	1006105115	/nfs/dbraw/zinc/10/51/15/1006105115.db2.gz	AGLZNXSRFOSEHF-MKXGPGLRSA-N	1	0	365.518	1.996	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N[C@@H]1CCCN(c2ncccn2)C1	ZINC000246303851	1006723316	/nfs/dbraw/zinc/72/33/16/1006723316.db2.gz	DGJMKNLWDJTTBO-QKPAOTATSA-N	1	0	358.490	1.424	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)CC(F)(F)F	ZINC001111487365	1006977141	/nfs/dbraw/zinc/97/71/41/1006977141.db2.gz	LQAFDFRINBPULI-RQJABVFESA-N	1	0	350.381	1.614	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCS(=O)(=O)C2)c(OC)c1	ZINC000641966810	1007245604	/nfs/dbraw/zinc/24/56/04/1007245604.db2.gz	RRYBGFINQAUGBI-CVEARBPZSA-N	1	0	369.483	1.188	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@@H+](C)C[C@@H](C)Cc2ccc(OC)cc2)CC1	ZINC000090619384	1007286450	/nfs/dbraw/zinc/28/64/50/1007286450.db2.gz	DULXTKNHKIYEQU-SFHVURJKSA-N	1	0	357.498	1.583	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3ccccc3C)C[C@H]2C)CC1	ZINC000947272967	1007485118	/nfs/dbraw/zinc/48/51/18/1007485118.db2.gz	GQGWBQVAHPVTFL-YLJYHZDGSA-N	1	0	367.493	1.917	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@](C)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000957014317	1007532113	/nfs/dbraw/zinc/53/21/13/1007532113.db2.gz	XCODVDVCORJIHP-FQELHTAISA-N	1	0	353.466	1.729	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC=CCC3)C[C@H]2C)CC1	ZINC000947452857	1007602977	/nfs/dbraw/zinc/60/29/77/1007602977.db2.gz	HLUHJMUZVOTAEL-NZSAHSFTSA-N	1	0	357.498	1.651	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CCN(C(=O)[C@H]3CC[C@@H](C)O3)C2)CC1	ZINC000957070833	1007647395	/nfs/dbraw/zinc/64/73/95/1007647395.db2.gz	YFXHFMULSQCFEH-MDYRTPRTSA-N	1	0	361.486	1.006	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC000956038261	1007803249	/nfs/dbraw/zinc/80/32/49/1007803249.db2.gz	AELOWVHYGVYVNS-YQQAZPJKSA-N	1	0	357.458	1.337	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC(C)(NC(=O)c3c[nH]c(C#N)c3)CC2)CC[N@@H+]1C	ZINC000956347147	1008041739	/nfs/dbraw/zinc/04/17/39/1008041739.db2.gz	XJVLLNAYKRWMPY-CZUORRHYSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1	ZINC000643477292	1008101305	/nfs/dbraw/zinc/10/13/05/1008101305.db2.gz	TVVUJGGSVSSPPV-DGCLKSJQSA-N	1	0	371.890	1.491	20	30		FDEDRO
C#Cc1cncc(C(=O)NC2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c1	ZINC000956489441	1008172590	/nfs/dbraw/zinc/17/25/90/1008172590.db2.gz	NGZQRFRGBSOBRM-CRAIPNDOSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=CCn1cc(C(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1	ZINC000648868234	1008688258	/nfs/dbraw/zinc/68/82/58/1008688258.db2.gz	UTWWPNSVSFMCAY-LJQANCHMSA-N	1	0	355.442	1.173	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC000950241265	1008934061	/nfs/dbraw/zinc/93/40/61/1008934061.db2.gz	BIVHSPRPEFUAGM-AYOQOUSVSA-N	1	0	353.466	1.268	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1C[NH+](C[C@H]2CCNC(=O)CC2)C1	ZINC000950353151	1009055827	/nfs/dbraw/zinc/05/58/27/1009055827.db2.gz	IHDJBGWQIBFHSC-NXHRZFHOSA-N	1	0	363.502	1.417	20	30		FDEDRO
CCc1ccc([C@H](CNC(=[NH2+])NCCCN2CCOCC2)N(C)C)cc1	ZINC000303785410	1009583083	/nfs/dbraw/zinc/58/30/83/1009583083.db2.gz	QHFCFRQLTSHJIL-IBGZPJMESA-N	1	0	361.534	1.478	20	30		FDEDRO
CCC[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCC(Nc2nccnc2C#N)CC1	ZINC001111322346	1009591437	/nfs/dbraw/zinc/59/14/37/1009591437.db2.gz	DTLSJIZQLUXHJF-GDBMZVCRSA-N	1	0	356.474	1.777	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C(C)(F)F)C2	ZINC001111325562	1009639321	/nfs/dbraw/zinc/63/93/21/1009639321.db2.gz	JMBCOYMDRDODNB-DGAVXFQQSA-N	1	0	355.429	1.527	20	30		FDEDRO
[NH2+]=C(NCCC(=O)N1CCN(c2ccc(F)cc2)CC1)N1CCCCC1	ZINC000303877304	1009647336	/nfs/dbraw/zinc/64/73/36/1009647336.db2.gz	ILHGFQGGZQOFAN-UHFFFAOYSA-N	1	0	361.465	1.665	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H](O)[C@H](O)c2nc3ccccc3s2)CC1	ZINC000779519288	1009674321	/nfs/dbraw/zinc/67/43/21/1009674321.db2.gz	JTHVKQXXQXVWKD-SJORKVTESA-N	1	0	373.478	1.295	20	30		FDEDRO
CC[C@@H]1OCC[C@H]1C(=O)NCC[NH+]1CCC(Nc2ncccc2C#N)CC1	ZINC001111331582	1009679606	/nfs/dbraw/zinc/67/96/06/1009679606.db2.gz	NEILFJQEDNSSGI-MSOLQXFVSA-N	1	0	371.485	1.761	20	30		FDEDRO
[NH2+]=C(NCCC(=O)N1CCCCC1)N1CCN(c2ccc(F)cc2)CC1	ZINC000303904445	1009686912	/nfs/dbraw/zinc/68/69/12/1009686912.db2.gz	UXAPYXOQYFSJSU-UHFFFAOYSA-N	1	0	361.465	1.665	20	30		FDEDRO
C[C@H]1CCCN(C(=[NH2+])NCc2cccnc2N2CCC(C(N)=O)CC2)C1	ZINC000303971320	1009783258	/nfs/dbraw/zinc/78/32/58/1009783258.db2.gz	DIULDGKMMFMMOE-AWEZNQCLSA-N	1	0	358.490	1.330	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C	ZINC000950805735	1009873532	/nfs/dbraw/zinc/87/35/32/1009873532.db2.gz	OPJTWPAWVLQTIU-OXQOHEQNSA-N	1	0	367.493	1.515	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C(C)(C)C)C[C@H]2C)CC1	ZINC000950973937	1010175410	/nfs/dbraw/zinc/17/54/10/1010175410.db2.gz	RSVZTBXKEJBZKY-JFIYKMOQSA-N	1	0	361.530	1.977	20	30		FDEDRO
C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@@]1(COC)CCC[NH2+]1	ZINC000648136563	1010208291	/nfs/dbraw/zinc/20/82/91/1010208291.db2.gz	UXARDFFHNCGBSE-HXUWFJFHSA-N	1	0	370.453	1.936	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000950986387	1010219665	/nfs/dbraw/zinc/21/96/65/1010219665.db2.gz	BFJXBRNZUKLWHI-AYOQOUSVSA-N	1	0	353.466	1.729	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)c1	ZINC000950995844	1010264042	/nfs/dbraw/zinc/26/40/42/1010264042.db2.gz	ACXREMHOWFJXHA-CEXWTWQISA-N	1	0	368.481	1.514	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1	ZINC000951084835	1010435698	/nfs/dbraw/zinc/43/56/98/1010435698.db2.gz	RAJABRQZJUSCRB-BZSNNMDCSA-N	1	0	368.437	1.646	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCCCOC[C@H]2CCOC2)CC1	ZINC000304756266	1010478009	/nfs/dbraw/zinc/47/80/09/1010478009.db2.gz	NNQGFUZECBMRKL-OAHLLOKOSA-N	1	0	370.494	1.297	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C	ZINC000951250105	1010645494	/nfs/dbraw/zinc/64/54/94/1010645494.db2.gz	RGKPVEVDXXTWIQ-VBQJREDUSA-N	1	0	358.442	1.069	20	30		FDEDRO
COC(=O)c1cccc(CONC(=[NH2+])[C@@H]2CN(C(C)C)CCO2)c1C#N	ZINC000779653818	1010660638	/nfs/dbraw/zinc/66/06/38/1010660638.db2.gz	XSCPHSXGNCYKDU-INIZCTEOSA-N	1	0	360.414	1.453	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)CNC1=O)C2	ZINC001111367924	1010772145	/nfs/dbraw/zinc/77/21/45/1010772145.db2.gz	CJNAKTBWPVEVKU-KFWWJZLASA-N	1	0	350.463	1.230	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000951525345	1010917546	/nfs/dbraw/zinc/91/75/46/1010917546.db2.gz	ZPRHMSHOHJOACW-ATZDWAIDSA-N	1	0	353.466	1.729	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[NH+](C[C@H]2CCNC(=O)CC2)CC1	ZINC000951594783	1010957635	/nfs/dbraw/zinc/95/76/35/1010957635.db2.gz	JDESKBSHGOKWEU-AOIWGVFYSA-N	1	0	363.502	1.418	20	30		FDEDRO
CC(C)(C)C(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1	ZINC001111396209	1011114794	/nfs/dbraw/zinc/11/47/94/1011114794.db2.gz	KPPZSTJFPCNYAI-KURKYZTESA-N	1	0	368.481	1.942	20	30		FDEDRO
C[N@@H+](Cc1ccc(F)c(C#N)c1)C[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1C(N)=O	ZINC000960875384	1011591480	/nfs/dbraw/zinc/59/14/80/1011591480.db2.gz	KPNXMVJHYZYNHG-XHSDSOJGSA-N	1	0	358.417	1.242	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@@H](O)C1	ZINC000963017405	1011759288	/nfs/dbraw/zinc/75/92/88/1011759288.db2.gz	BSHKNUJTLJTKET-XHSDSOJGSA-N	1	0	351.491	1.151	20	30		FDEDRO
CN1C(=O)CC[C@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1	ZINC001095859820	1011920866	/nfs/dbraw/zinc/92/08/66/1011920866.db2.gz	AKSUYTAPXWKEHJ-RDGPPVDQSA-N	1	0	366.465	1.791	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CCC([NH2+]Cc2cnnn2C)CC1	ZINC000963338040	1012165608	/nfs/dbraw/zinc/16/56/08/1012165608.db2.gz	OACBUIIGUNPWAI-UQVLAFNGSA-N	1	0	361.490	1.656	20	30		FDEDRO
C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1	ZINC000961378996	1012307236	/nfs/dbraw/zinc/30/72/36/1012307236.db2.gz	PLWNRVFSQSQSFS-YZGWKJHDSA-N	1	0	361.530	1.679	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4C[C@H]4C4CC4)C[C@@H]3C2)CC1	ZINC000961649288	1012697355	/nfs/dbraw/zinc/69/73/55/1012697355.db2.gz	QQLOYENGYINOTG-ZGXWSNOMSA-N	1	0	369.509	1.295	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21	ZINC000963850858	1012781220	/nfs/dbraw/zinc/78/12/20/1012781220.db2.gz	XJDCHJCCYBGAAS-MLHJIOFPSA-N	1	0	361.486	1.123	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc4c(c3)nnn4C)C[C@H]21	ZINC000961827115	1012897398	/nfs/dbraw/zinc/89/73/98/1012897398.db2.gz	SORHKMYUCFKGFW-GVYRHCHYSA-N	1	0	367.453	1.106	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2nn(CC)nc2C)C1	ZINC000961854519	1012946156	/nfs/dbraw/zinc/94/61/56/1012946156.db2.gz	YPYJBIGEQYHRJK-IOTAOYMUSA-N	1	0	361.490	1.572	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1cccc(C#N)c1)C2	ZINC000963961268	1013012524	/nfs/dbraw/zinc/01/25/24/1013012524.db2.gz	MOIREBUVTNNYTI-NNXQFSIZSA-N	1	0	369.465	1.879	20	30		FDEDRO
CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000192325445	178109730	/nfs/dbraw/zinc/10/97/30/178109730.db2.gz	DSYMLECCCGXEKH-CRAIPNDOSA-N	1	0	371.485	1.689	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)[C@@H]3COCCN3C3CCCC3)CC2)nc1	ZINC000192834557	178135528	/nfs/dbraw/zinc/13/55/28/178135528.db2.gz	AUJJUWDJYNMAAK-SFHVURJKSA-N	1	0	369.469	1.245	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)ccn1	ZINC000193596618	178171446	/nfs/dbraw/zinc/17/14/46/178171446.db2.gz	FGVGKIXEJSFXJF-PKOBYXMFSA-N	1	0	350.422	1.566	20	30		FDEDRO
C[C@H]1CCNC(=O)[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000194054089	178196603	/nfs/dbraw/zinc/19/66/03/178196603.db2.gz	RUTHONYUSPWYSU-YJBOKZPZSA-N	1	0	369.469	1.300	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)ccn1	ZINC000194351171	178208283	/nfs/dbraw/zinc/20/82/83/178208283.db2.gz	DEWYECFIJCWCRJ-IBGZPJMESA-N	1	0	350.422	1.974	20	30		FDEDRO
C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NCC(=O)NCC#N)CC1	ZINC000511905035	538965732	/nfs/dbraw/zinc/96/57/32/538965732.db2.gz	HUAWTIMZOPAXFI-UHFFFAOYSA-N	1	0	357.458	1.180	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1	ZINC000512827873	538981362	/nfs/dbraw/zinc/98/13/62/538981362.db2.gz	LVZZYTZJQUCFFW-LJQANCHMSA-N	1	0	374.485	1.144	20	30		FDEDRO
CNS(=O)(=O)CCC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000512840538	538982059	/nfs/dbraw/zinc/98/20/59/538982059.db2.gz	NOLYWWHIOIJONM-UHFFFAOYSA-N	1	0	355.435	1.480	20	30		FDEDRO
N#CC1(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CCCCC1	ZINC000519123620	539467844	/nfs/dbraw/zinc/46/78/44/539467844.db2.gz	PCLYAHUBNLIQIB-UHFFFAOYSA-N	1	0	370.501	1.969	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)/C=C/c2ccc(C#N)cc2)CC1	ZINC000264021585	179015531	/nfs/dbraw/zinc/01/55/31/179015531.db2.gz	GUGINTLKCQROFK-MDZDMXLPSA-N	1	0	354.454	1.584	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1	ZINC000264381522	179093172	/nfs/dbraw/zinc/09/31/72/179093172.db2.gz	FIXXBURDANMTJW-HKUYNNGSSA-N	1	0	370.497	1.954	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C)C2)cc1	ZINC000523076165	539597891	/nfs/dbraw/zinc/59/78/91/539597891.db2.gz	OBAQLZSDLWUAQL-CYBMUJFWSA-N	1	0	359.430	1.001	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)NC[C@H]3CC[N@@H+]3C3CCCC3)CC2)c1	ZINC000528288500	539745342	/nfs/dbraw/zinc/74/53/42/539745342.db2.gz	WQEVCLDITGNZSQ-GOSISDBHSA-N	1	0	368.485	1.802	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1	ZINC000528515343	539765595	/nfs/dbraw/zinc/76/55/95/539765595.db2.gz	DWVCVIWGVBJBSA-FCEWJHQRSA-N	1	0	368.433	1.148	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CC3(CCOCC3)CC[C@H]2CO)cc1	ZINC000528637042	539771483	/nfs/dbraw/zinc/77/14/83/539771483.db2.gz	SSIVPAVEXHRDTB-ZWKOTPCHSA-N	1	0	360.454	1.551	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC(C)([NH+]2CCOCC2)CC1	ZINC000528728561	539779769	/nfs/dbraw/zinc/77/97/69/539779769.db2.gz	CKDBAVWUKAFQJA-APWZRJJASA-N	1	0	350.507	1.616	20	30		FDEDRO
C=CCc1cc(CN2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc(OC)c1O	ZINC000530242637	539919196	/nfs/dbraw/zinc/91/91/96/539919196.db2.gz	MQRMBKDLCJHMEO-UHFFFAOYSA-N	1	0	374.485	1.272	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCN(c2ccccc2)C1=O	ZINC000530229872	539914439	/nfs/dbraw/zinc/91/44/39/539914439.db2.gz	BAAWDPKHLVXULQ-ZWKOTPCHSA-N	1	0	351.406	1.693	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCCN(c2ncccn2)C1	ZINC000530229979	539914448	/nfs/dbraw/zinc/91/44/48/539914448.db2.gz	CDRBPQQSSFOJHK-SJORKVTESA-N	1	0	353.426	1.347	20	30		FDEDRO
COc1ccc2c(c1)OC[C@@H]([NH2+]C[C@H](O)COc1ccccc1C#N)C2	ZINC000530231175	539915404	/nfs/dbraw/zinc/91/54/04/539915404.db2.gz	FMEKEVAXEIIGQH-IRXDYDNUSA-N	1	0	354.406	1.900	20	30		FDEDRO
COC(=O)C1=NOC2(C1)CC[NH+](CCC(=O)Nc1ccc(C#N)cc1)CC2	ZINC000273163954	180876054	/nfs/dbraw/zinc/87/60/54/180876054.db2.gz	AXYILOAUMICIIJ-UHFFFAOYSA-N	1	0	370.409	1.671	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)CC2)c1C#N	ZINC000530522120	539991924	/nfs/dbraw/zinc/99/19/24/539991924.db2.gz	JOORGBGKAXBAFC-GOSISDBHSA-N	1	0	370.501	1.656	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(C(=O)N(CC)CC)CC2)CC1	ZINC000530606763	540009189	/nfs/dbraw/zinc/00/91/89/540009189.db2.gz	HSSMFCIIPIWINC-UHFFFAOYSA-N	1	0	365.522	1.816	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCOc2ncccc2Cl)CC1	ZINC000268454645	674089855	/nfs/dbraw/zinc/08/98/55/674089855.db2.gz	RDXWPJFNONLTGY-UHFFFAOYSA-N	1	0	369.853	1.639	20	30		FDEDRO
CS[C@@H]1CN(CC(=O)NCc2ccc(C#N)cc2)C[C@H]1[NH+]1CCCC1	ZINC000275074686	181231417	/nfs/dbraw/zinc/23/14/17/181231417.db2.gz	LWYJZQBHECBTEB-QZTJIDSGSA-N	1	0	358.511	1.686	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc3c(OC)ccnc23)CC1	ZINC000534328061	540354919	/nfs/dbraw/zinc/35/49/19/540354919.db2.gz	QYOOQGHQVSEAQD-UHFFFAOYSA-N	1	0	368.437	1.949	20	30		FDEDRO
N#CCCN(C(=O)CCC(=O)NCCNc1cc[nH+]cc1)c1ccccc1	ZINC000534525154	540378035	/nfs/dbraw/zinc/37/80/35/540378035.db2.gz	UDKSUWQXCPAGNW-UHFFFAOYSA-N	1	0	365.437	1.759	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCO[C@@H](C[NH+](C)C)C3)C2)n1	ZINC000472148596	781936505	/nfs/dbraw/zinc/93/65/05/781936505.db2.gz	AYJRMQCMVSXAIL-ROUUACIJSA-N	1	0	371.485	1.267	20	30		FDEDRO
N#CC1(c2ccc(C(=O)NCCCC[NH+]3CCN(CCO)CC3)cc2)CC1	ZINC000537484170	540734171	/nfs/dbraw/zinc/73/41/71/540734171.db2.gz	NGNKSUAQRJPKBH-UHFFFAOYSA-N	1	0	370.497	1.362	20	30		FDEDRO
C=C(CC)C[NH+]1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000537994019	540795011	/nfs/dbraw/zinc/79/50/11/540795011.db2.gz	YIAVHXHSYSFTFH-UHFFFAOYSA-N	1	0	351.472	1.951	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000538269651	540834819	/nfs/dbraw/zinc/83/48/19/540834819.db2.gz	MXKCXYWXAHYALX-HNNXBMFYSA-N	1	0	358.442	1.025	20	30		FDEDRO
N#CC1(NC(=O)COC2CCOCC2)CC[NH+](Cc2ccccc2)CC1	ZINC000538693834	540881181	/nfs/dbraw/zinc/88/11/81/540881181.db2.gz	VGOIHXAJKVVPKQ-UHFFFAOYSA-N	1	0	357.454	1.857	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000539371599	540952456	/nfs/dbraw/zinc/95/24/56/540952456.db2.gz	DWJKIVDQGBZNQW-UHFFFAOYSA-N	1	0	358.486	1.935	20	30		FDEDRO
COCCn1nc(C)c(NC(=O)N(CCC#N)CCC[NH+](C)C)c1C	ZINC000540115110	541028096	/nfs/dbraw/zinc/02/80/96/541028096.db2.gz	YKNKXJFDFQULPG-UHFFFAOYSA-N	1	0	350.467	1.846	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000934265861	781945138	/nfs/dbraw/zinc/94/51/38/781945138.db2.gz	XLMPTBGRHFIWDD-HOJAQTOUSA-N	1	0	370.497	1.853	20	30		FDEDRO
C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCc1ccc(C#N)cc1	ZINC000275511541	181338667	/nfs/dbraw/zinc/33/86/67/181338667.db2.gz	CZTOYBYYZRUQEB-UHFFFAOYSA-N	1	0	350.422	1.917	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCSC[C@@H]2CO)c(OC)c1	ZINC000541326223	541187185	/nfs/dbraw/zinc/18/71/85/541187185.db2.gz	TVVVILHAGVDVCD-JKSUJKDBSA-N	1	0	353.484	1.573	20	30		FDEDRO
C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N(C)CCCc1[nH]nc(N)c1C#N	ZINC000541900546	541294072	/nfs/dbraw/zinc/29/40/72/541294072.db2.gz	KPTKNGHRHYEHLN-OKILXGFUSA-N	1	0	361.494	1.700	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H](CC(=O)OC(C)C)c1ccc(C)cc1	ZINC000542135253	541345273	/nfs/dbraw/zinc/34/52/73/541345273.db2.gz	VIJQYFXISMBQIX-MRXNPFEDSA-N	1	0	361.442	1.979	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C	ZINC000542825497	541479491	/nfs/dbraw/zinc/47/94/91/541479491.db2.gz	OSTATAFPHOPAPA-KRWDZBQOSA-N	1	0	369.473	1.740	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1	ZINC000542830188	541481125	/nfs/dbraw/zinc/48/11/25/541481125.db2.gz	UCFIRQICFWVRDC-ZDUSSCGKSA-N	1	0	359.478	1.454	20	30		FDEDRO
CCS(=O)(=O)NCCNC(=[NH2+])Nc1ccccc1OC(F)(F)F	ZINC000269658296	674111285	/nfs/dbraw/zinc/11/12/85/674111285.db2.gz	VSLRLDNOWOYVIK-UHFFFAOYSA-N	1	0	354.354	1.251	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	ZINC000543758608	541655084	/nfs/dbraw/zinc/65/50/84/541655084.db2.gz	ZDHZSIHWRACDKL-AGUYFDCRSA-N	1	0	359.478	1.453	20	30		FDEDRO
C[N@@H+]1CC[C@](O)(CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1	ZINC000545156273	541883669	/nfs/dbraw/zinc/88/36/69/541883669.db2.gz	QUGKNOLLCONOLI-NRFANRHFSA-N	1	0	365.433	1.934	20	30		FDEDRO
N#Cc1ccnc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1	ZINC000283329719	182158804	/nfs/dbraw/zinc/15/88/04/182158804.db2.gz	HDLOFPSNIBEALD-GOSISDBHSA-N	1	0	350.422	1.840	20	30		FDEDRO
CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1	ZINC000283504995	182200121	/nfs/dbraw/zinc/20/01/21/182200121.db2.gz	AZRHRQYZPVPPEP-INIZCTEOSA-N	1	0	374.485	1.552	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCN(C2CCOCC2)CC1)c1ccc(C#N)cc1	ZINC000284044206	182347189	/nfs/dbraw/zinc/34/71/89/182347189.db2.gz	PQQVWLYUNSQAMF-OAHLLOKOSA-N	1	0	370.453	1.059	20	30		FDEDRO
C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2cccc(C#N)c2)[C@H]1c1ccccc1	ZINC000284080230	182358288	/nfs/dbraw/zinc/35/82/88/182358288.db2.gz	RYOCTGKJKHKXJS-RTBURBONSA-N	1	0	362.433	1.736	20	30		FDEDRO
C[C@H](O)CN1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)[C@@H](C)C1	ZINC000286165818	183002921	/nfs/dbraw/zinc/00/29/21/183002921.db2.gz	JVAQFDBICMHBOY-ZOBUZTSGSA-N	1	0	374.460	1.437	20	30		FDEDRO
Cc1cc(C#N)nc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1	ZINC000286246036	183024098	/nfs/dbraw/zinc/02/40/98/183024098.db2.gz	UXUSNMSDPCOVMC-UHFFFAOYSA-N	1	0	356.474	1.475	20	30		FDEDRO
CC[NH+](CC)Cc1cccc(CNC(=O)NCCn2cnc(C#N)n2)c1	ZINC000286350516	183045478	/nfs/dbraw/zinc/04/54/78/183045478.db2.gz	BOTRVGZOSJVYEQ-UHFFFAOYSA-N	1	0	355.446	1.491	20	30		FDEDRO
CC(C)(CNC(=O)NCCn1cnc(C#N)n1)[N@@H+]1CCc2ccccc2C1	ZINC000286320982	183039674	/nfs/dbraw/zinc/03/96/74/183039674.db2.gz	ADTAONMPUVSSER-UHFFFAOYSA-N	1	0	367.457	1.286	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCC1=CC[N@H+](C)CC1	ZINC000546612615	542182290	/nfs/dbraw/zinc/18/22/90/542182290.db2.gz	ULEFPXKGBXAZCA-UHFFFAOYSA-N	1	0	351.414	1.831	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000546612601	542182380	/nfs/dbraw/zinc/18/23/80/542182380.db2.gz	RJVPGWGVXKECQL-DZGCQCFKSA-N	1	0	353.430	2.052	20	30		FDEDRO
CC[NH+](CC)CCOc1ccccc1NC(=O)NCCn1cnc(C#N)n1	ZINC000286910821	183171583	/nfs/dbraw/zinc/17/15/83/183171583.db2.gz	DZPJWFAITMQQAQ-UHFFFAOYSA-N	1	0	371.445	1.692	20	30		FDEDRO
C[C@H]1C[C@@H](S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CCO1	ZINC000295194274	184043845	/nfs/dbraw/zinc/04/38/45/184043845.db2.gz	LSDIXRYNVAFOJU-YJBOKZPZSA-N	1	0	365.499	1.819	20	30		FDEDRO
N#Cc1cccc(-n2ccc(C(=O)N[C@H]3CCC[N@@H+](CCCO)C3)n2)c1	ZINC000295511962	184079224	/nfs/dbraw/zinc/07/92/24/184079224.db2.gz	PZWRPNWDIRSISW-INIZCTEOSA-N	1	0	353.426	1.321	20	30		FDEDRO
N#Cc1cc(Br)cnc1N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000297562231	184287504	/nfs/dbraw/zinc/28/75/04/184287504.db2.gz	ROKRIROHXBJZKY-LBPRGKRZSA-N	1	0	351.248	1.874	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1	ZINC000297795555	184330471	/nfs/dbraw/zinc/33/04/71/184330471.db2.gz	HPODHEJSWQNHTI-RHSMWYFYSA-N	1	0	363.483	1.462	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)Cc2cccc(C#N)c2)[C@H](C)C1	ZINC000298007799	184373941	/nfs/dbraw/zinc/37/39/41/184373941.db2.gz	KUGFDBIAHFZQFR-QAPCUYQASA-N	1	0	356.470	1.705	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)Cc2ccc(C#N)cc2)[C@H](C)C1	ZINC000298117848	184395735	/nfs/dbraw/zinc/39/57/35/184395735.db2.gz	WGMHVNLOULPMIA-QAPCUYQASA-N	1	0	356.470	1.705	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)Cc2ccc(C#N)cc2)[C@H](C)C1	ZINC000298117841	184395917	/nfs/dbraw/zinc/39/59/17/184395917.db2.gz	WGMHVNLOULPMIA-CRAIPNDOSA-N	1	0	356.470	1.705	20	30		FDEDRO
C[C@@H]1C[C@@H](C)[NH+]1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000547769493	542441646	/nfs/dbraw/zinc/44/16/46/542441646.db2.gz	DIPYAAGPEIIHBO-ZIAGYGMSSA-N	1	0	369.425	1.938	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CCc2cccc3c2OCO3)c1C#N	ZINC000548110662	542558172	/nfs/dbraw/zinc/55/81/72/542558172.db2.gz	UDKSALPDYBMEBK-UHFFFAOYSA-N	1	0	355.398	1.733	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C/C=C(/C)C=C)C2	ZINC001112511065	781989084	/nfs/dbraw/zinc/98/90/84/781989084.db2.gz	RTLZYDSPDDVCBU-CZUKRNTFSA-N	1	0	357.498	1.865	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1	ZINC000172532920	258278438	/nfs/dbraw/zinc/27/84/38/258278438.db2.gz	TVYCKJVJLVTPLO-MRXNPFEDSA-N	1	0	370.453	1.840	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)c2ccc(CSc3nc[nH]n3)cc2)CC1	ZINC000549991324	542984510	/nfs/dbraw/zinc/98/45/10/542984510.db2.gz	WCMGMDKMEPBSGJ-UHFFFAOYSA-N	1	0	356.455	1.815	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@H](CC4CC4)C3)CC2)o1	ZINC000550404241	543094063	/nfs/dbraw/zinc/09/40/63/543094063.db2.gz	FTJZNWCUQQUTHQ-MRXNPFEDSA-N	1	0	357.458	1.625	20	30		FDEDRO
C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCc3ccc(C#N)cc32)CCSC1	ZINC000270134863	674170263	/nfs/dbraw/zinc/17/02/63/674170263.db2.gz	CCRGQOWBGWDQGQ-GOSISDBHSA-N	1	0	358.467	1.001	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCOC[C@H]1CC)C(C)C	ZINC000551216763	543253340	/nfs/dbraw/zinc/25/33/40/543253340.db2.gz	CPLYHTMPHQMCAA-IAGOWNOFSA-N	1	0	351.491	1.439	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1C#N	ZINC000551370229	543275573	/nfs/dbraw/zinc/27/55/73/543275573.db2.gz	GRRGAYQLURQLLL-DDUZABMNSA-N	1	0	354.454	1.994	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2	ZINC000551684831	543321736	/nfs/dbraw/zinc/32/17/36/543321736.db2.gz	CTAGTZSZAYICJH-IBGZPJMESA-N	1	0	356.426	1.450	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)Cc3c(F)cccc3C#N)C2)CC1	ZINC000552355296	543455480	/nfs/dbraw/zinc/45/54/80/543455480.db2.gz	HDWDTUHDSJKTTP-QGZVFWFLSA-N	1	0	358.461	1.867	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)C1	ZINC000552709887	543506724	/nfs/dbraw/zinc/50/67/24/543506724.db2.gz	OPMPTCGZNUVNNZ-GOSISDBHSA-N	1	0	356.470	1.753	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)N1CCCN(c2ccccc2C#N)CC1	ZINC000079490712	172163276	/nfs/dbraw/zinc/16/32/76/172163276.db2.gz	OWODEIOPFNQGIZ-UHFFFAOYSA-N	1	0	373.501	1.748	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)n1	ZINC000091244281	172281293	/nfs/dbraw/zinc/28/12/93/172281293.db2.gz	ASYHYAJMYNCTNT-UHFFFAOYSA-N	1	0	372.473	1.797	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(C(=O)NCc3cccc(C#N)c3)CC2)c1	ZINC000103858921	172371394	/nfs/dbraw/zinc/37/13/94/172371394.db2.gz	FDCSFDZMOAFJIF-UHFFFAOYSA-N	1	0	351.410	1.994	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)CC[C@@H]21	ZINC000126882730	173057755	/nfs/dbraw/zinc/05/77/55/173057755.db2.gz	RRZUSEXAYCAKNL-OCCSQVGLSA-N	1	0	364.427	1.571	20	30		FDEDRO
N#Cc1ccc([C@H](O)CN2CCN(CC(=O)Nc3ccccc3)CC2)cc1	ZINC000126947906	173060213	/nfs/dbraw/zinc/06/02/13/173060213.db2.gz	UOCIGDMMPXWQQV-HXUWFJFHSA-N	1	0	364.449	1.848	20	30		FDEDRO
N#Cc1ccc(OCC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc1	ZINC000127223377	173068267	/nfs/dbraw/zinc/06/82/67/173068267.db2.gz	JFIUZNXCOIKLHL-MOPGFXCFSA-N	1	0	365.433	1.689	20	30		FDEDRO
CCC(=O)N1CC[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000128529493	173112084	/nfs/dbraw/zinc/11/20/84/173112084.db2.gz	SOFYPXAVSMDSPT-SFHVURJKSA-N	1	0	356.470	1.707	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)cc1	ZINC000130597654	173175496	/nfs/dbraw/zinc/17/54/96/173175496.db2.gz	UVLLIRKJPISRIO-UHFFFAOYSA-N	1	0	363.483	1.621	20	30		FDEDRO
COCCC(=O)N1CCC([NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000133316729	173261235	/nfs/dbraw/zinc/26/12/35/173261235.db2.gz	SZOJFIGUGGRCLU-GOSISDBHSA-N	1	0	370.453	1.281	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000136949115	173366564	/nfs/dbraw/zinc/36/65/64/173366564.db2.gz	AABMQLCNJXNQJZ-HZPDHXFCSA-N	1	0	357.454	1.943	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H](O)C[NH+]1CCC(C)CC1	ZINC000161678599	173747571	/nfs/dbraw/zinc/74/75/71/173747571.db2.gz	BMUMTUUYTHSPJE-INIZCTEOSA-N	1	0	351.472	1.238	20	30		FDEDRO
C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000176557057	174077503	/nfs/dbraw/zinc/07/75/03/174077503.db2.gz	IVBLXOZXKXDAHJ-IAGOWNOFSA-N	1	0	356.474	1.658	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C[N@@H+]1C1CC1	ZINC000177202820	174113706	/nfs/dbraw/zinc/11/37/06/174113706.db2.gz	ZGXVKECRWQEDGA-IUODEOHRSA-N	1	0	350.426	1.681	20	30		FDEDRO
C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1	ZINC000177496500	174136226	/nfs/dbraw/zinc/13/62/26/174136226.db2.gz	PBMHJSXJLCNHLD-IAGOWNOFSA-N	1	0	363.483	1.462	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1	ZINC000177530777	174139576	/nfs/dbraw/zinc/13/95/76/174139576.db2.gz	ADGRIXSSQWWUPP-OAHLLOKOSA-N	1	0	358.442	1.837	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1	ZINC000178456709	174189093	/nfs/dbraw/zinc/18/90/93/174189093.db2.gz	UZPQZKGFVJMDED-NVXWUHKLSA-N	1	0	370.453	1.838	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000178476013	174190095	/nfs/dbraw/zinc/19/00/95/174190095.db2.gz	GZFJQZRJGPMMBL-INIZCTEOSA-N	1	0	370.453	1.376	20	30		FDEDRO
COC(=O)[C@@H](O)C1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC000180277517	258365785	/nfs/dbraw/zinc/36/57/85/258365785.db2.gz	XTSPCIWMOWEUTO-IBGZPJMESA-N	1	0	368.437	1.705	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1	ZINC000173734178	258308936	/nfs/dbraw/zinc/30/89/36/258308936.db2.gz	VSNCRPJYLSFNQE-HNNXBMFYSA-N	1	0	358.442	1.696	20	30		FDEDRO
C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)C1	ZINC000176559812	258324878	/nfs/dbraw/zinc/32/48/78/258324878.db2.gz	SUMGXSYUIAADOR-IAGOWNOFSA-N	1	0	356.474	1.658	20	30		FDEDRO
Cc1oc(NC(=O)[C@@H](C)N2CC[NH+](C[C@@H]3CCOC3)CC2)c(C#N)c1C	ZINC000178824110	258336933	/nfs/dbraw/zinc/33/69/33/258336933.db2.gz	ICLDEQJQNSYPJS-ZBFHGGJFSA-N	1	0	360.458	1.749	20	30		FDEDRO
C[NH+](C)C[C@](C)(O)CNC(=O)NCCSCc1ccccc1C#N	ZINC000178930363	258340123	/nfs/dbraw/zinc/34/01/23/258340123.db2.gz	VNGNYDFNKTYVLY-QGZVFWFLSA-N	1	0	350.488	1.403	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C	ZINC000554297765	543777974	/nfs/dbraw/zinc/77/79/74/543777974.db2.gz	RYGKVXHTHBEZJC-HNNXBMFYSA-N	1	0	361.486	1.960	20	30		FDEDRO
C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)C2)C1	ZINC000554142373	543751643	/nfs/dbraw/zinc/75/16/43/543751643.db2.gz	PLHPTCLCMWBTJJ-LJQANCHMSA-N	1	0	350.426	1.494	20	30		FDEDRO
C=CCn1c(CC)nnc1N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	ZINC000554609293	543835771	/nfs/dbraw/zinc/83/57/71/543835771.db2.gz	PBKHYCDEVJJWHR-UHFFFAOYSA-N	1	0	374.533	1.845	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)N1CCN(c2cnccn2)CC1)c1ccc(C#N)cc1	ZINC000554848902	543880340	/nfs/dbraw/zinc/88/03/40/543880340.db2.gz	SBUOAZLHEGLGQT-HNNXBMFYSA-N	1	0	350.426	1.348	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)CC3(C#N)CCCCC3)[C@H]2C1	ZINC000555390040	543951052	/nfs/dbraw/zinc/95/10/52/543951052.db2.gz	WFKDCBDJFBVQQN-JKSUJKDBSA-N	1	0	355.504	1.585	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)c1ccc(C#N)cc1	ZINC000556037663	544079479	/nfs/dbraw/zinc/07/94/79/544079479.db2.gz	HMDHLYCEYNNDAZ-QAPCUYQASA-N	1	0	372.469	1.305	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCSC[C@H]1C)C(C)C	ZINC000556207979	544118184	/nfs/dbraw/zinc/11/81/84/544118184.db2.gz	PJDBGWITWBDCAO-HZPDHXFCSA-N	1	0	353.532	1.765	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000556363444	544136851	/nfs/dbraw/zinc/13/68/51/544136851.db2.gz	WJLJHEIIQXIQHT-RBUKOAKNSA-N	1	0	371.481	1.953	20	30		FDEDRO
C=CCn1c(N2CC[NH+](C[C@@H]3CCOC3)CC2)nnc1[C@]1(C)CCCO1	ZINC000556444391	544144888	/nfs/dbraw/zinc/14/48/88/544144888.db2.gz	FACUMRXJGNBETO-LPHOPBHVSA-N	1	0	361.490	1.648	20	30		FDEDRO
C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC1CCC(Oc2ncccc2C#N)CC1	ZINC000557205511	544262959	/nfs/dbraw/zinc/26/29/59/544262959.db2.gz	YMASVFKCOZPFDK-MFNRNEDNSA-N	1	0	357.458	1.940	20	30		FDEDRO
COc1ccc([C@@H](CCn2cncn2)[NH2+]CCn2cnc(C#N)n2)cc1	ZINC000557395502	544286758	/nfs/dbraw/zinc/28/67/58/544286758.db2.gz	ZJSWIIVSNJXFQA-MRXNPFEDSA-N	1	0	352.402	1.171	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1	ZINC000557135007	544251029	/nfs/dbraw/zinc/25/10/29/544251029.db2.gz	OCSFJYDEROKMFK-IKGGRYGDSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2ccc(F)c(F)c2F)CC1	ZINC000557731618	544337846	/nfs/dbraw/zinc/33/78/46/544337846.db2.gz	GEOOCRPUSUESHR-UHFFFAOYSA-N	1	0	369.387	1.529	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)C1	ZINC000559716102	544773118	/nfs/dbraw/zinc/77/31/18/544773118.db2.gz	KHCCVRMGVAPTAT-WBVHZDCISA-N	1	0	356.470	1.830	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@H](C)OC[C@@H]1C)C(C)C	ZINC000559865027	544825744	/nfs/dbraw/zinc/82/57/44/544825744.db2.gz	ORUGKTFEMJKUAI-YESZJQIVSA-N	1	0	351.491	1.437	20	30		FDEDRO
Cc1ccc(-n2nc(CCCNC(=O)[C@H]3CCC[N@H+]3C)c(C#N)c2N)cc1	ZINC000299571285	259007344	/nfs/dbraw/zinc/00/73/44/259007344.db2.gz	UFUGQYMXASTQMS-GOSISDBHSA-N	1	0	366.469	1.778	20	30		FDEDRO
C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C)C[C@H]1N1CCOCC1	ZINC000328699995	259054104	/nfs/dbraw/zinc/05/41/04/259054104.db2.gz	ILFWISAIIACRAF-WMLDXEAASA-N	1	0	352.442	1.511	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000329542089	259100513	/nfs/dbraw/zinc/10/05/13/259100513.db2.gz	DTNFMLVYWSBVCH-MRXNPFEDSA-N	1	0	372.469	1.389	20	30		FDEDRO
CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2ccc(C#N)s2)CC1	ZINC000331237729	259182905	/nfs/dbraw/zinc/18/29/05/259182905.db2.gz	LGVCWODCUVKBQI-CYBMUJFWSA-N	1	0	356.517	1.172	20	30		FDEDRO
Cc1cc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c(C#N)cc1N(C)C	ZINC000331248296	259183018	/nfs/dbraw/zinc/18/30/18/259183018.db2.gz	WWCVMGGRHACSPZ-LSDHHAIUSA-N	1	0	359.474	1.852	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000331417332	259194152	/nfs/dbraw/zinc/19/41/52/259194152.db2.gz	QWYPTGZCRIDNBK-IRXDYDNUSA-N	1	0	370.501	1.905	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000332072002	259239032	/nfs/dbraw/zinc/23/90/32/259239032.db2.gz	WDFLQPKOTQCRIB-MBOZVWFJSA-N	1	0	369.513	1.843	20	30		FDEDRO
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1	ZINC000332409586	259264293	/nfs/dbraw/zinc/26/42/93/259264293.db2.gz	ZQTQTZGACVIROX-OXJNMPFZSA-N	1	0	370.497	1.873	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)Nc3ccc4c(c3)C[NH2+]CC4)CC2)c1	ZINC000333318301	259334954	/nfs/dbraw/zinc/33/49/54/259334954.db2.gz	MOPOAXLEABBMFR-UHFFFAOYSA-N	1	0	362.437	1.953	20	30		FDEDRO
N#Cc1c(C#N)c(N2CCN([C@H]3CC[NH2+]C3)CC2)nc2c1CCCCCC2	ZINC000333481471	259352521	/nfs/dbraw/zinc/35/25/21/259352521.db2.gz	FPEJRQCWDUTVOW-INIZCTEOSA-N	1	0	364.497	1.968	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2=O)cc1	ZINC000333554258	259359285	/nfs/dbraw/zinc/35/92/85/259359285.db2.gz	KPAPRYICYUJCIJ-NUJGCVRESA-N	1	0	367.453	1.305	20	30		FDEDRO
N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@@H]3CCC[NH2+]C3)CC2)c1	ZINC000333634307	259364930	/nfs/dbraw/zinc/36/49/30/259364930.db2.gz	HDFCYFQQTAIMTR-QGZVFWFLSA-N	1	0	355.442	1.670	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1	ZINC000333637657	259365412	/nfs/dbraw/zinc/36/54/12/259365412.db2.gz	HQBRGDGFFQUYHB-DLBZAZTESA-N	1	0	363.483	1.774	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1	ZINC000333655824	259367287	/nfs/dbraw/zinc/36/72/87/259367287.db2.gz	KPSNALCHMDXWQT-DLBZAZTESA-N	1	0	363.483	1.774	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21	ZINC000333752609	259377402	/nfs/dbraw/zinc/37/74/02/259377402.db2.gz	ZGKVIFJXFZBLHK-CVEARBPZSA-N	1	0	361.467	1.256	20	30		FDEDRO
N#Cc1ccc(OC2CCC(NC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)nc1	ZINC000333780843	259380858	/nfs/dbraw/zinc/38/08/58/259380858.db2.gz	KUUVLFJHTRXZGI-MRLCAUJQSA-N	1	0	369.469	1.894	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC2CCC(N3CC[NH2+]CC3)CC2)cc1F	ZINC000333890662	259390952	/nfs/dbraw/zinc/39/09/52/259390952.db2.gz	WZMIOBNZDPZXLU-UHFFFAOYSA-N	1	0	366.462	1.192	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)c1	ZINC000333909670	259392606	/nfs/dbraw/zinc/39/26/06/259392606.db2.gz	KYCQJMNDRASTOG-BRWVUGGUSA-N	1	0	354.458	1.173	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+][C@@H](CC(N)=O)C3CCOCC3)CC2)cc1	ZINC000367308602	260024761	/nfs/dbraw/zinc/02/47/61/260024761.db2.gz	QAEVFBSGPXTNHS-IBGZPJMESA-N	1	0	356.470	1.787	20	30		FDEDRO
N#Cc1ccc(C(F)(F)F)nc1N1CCC(O)(C[NH+]2CCOCC2)CC1	ZINC000368417558	260180639	/nfs/dbraw/zinc/18/06/39/260180639.db2.gz	ADSKPFXWAUQCKL-UHFFFAOYSA-N	1	0	370.375	1.636	20	30		FDEDRO
CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1	ZINC000368664070	260217097	/nfs/dbraw/zinc/21/70/97/260217097.db2.gz	UDOITTNPMYCDHB-RBUKOAKNSA-N	1	0	354.454	1.650	20	30		FDEDRO
C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCCN(c2ccc(C#N)cc2)CC1	ZINC000368795516	260238374	/nfs/dbraw/zinc/23/83/74/260238374.db2.gz	PIHPMRULYFIKRS-LPHOPBHVSA-N	1	0	356.470	1.754	20	30		FDEDRO
COC(=O)c1cn([C@@H]2CC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)nn1	ZINC000368837060	260246362	/nfs/dbraw/zinc/24/63/62/260246362.db2.gz	ZMHSHQURZXHGGL-OAHLLOKOSA-N	1	0	368.397	1.212	20	30		FDEDRO
CC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCC(n3cnc(C#N)n3)CC2)cc1	ZINC000369085949	260292866	/nfs/dbraw/zinc/29/28/66/260292866.db2.gz	UIBXUWXSBRLBQO-KRWDZBQOSA-N	1	0	369.425	1.429	20	30		FDEDRO
N#Cc1ncccc1S(=O)(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000369181906	260308701	/nfs/dbraw/zinc/30/87/01/260308701.db2.gz	COAZDBVUVZXVQR-MRXNPFEDSA-N	1	0	356.451	1.754	20	30		FDEDRO
N#Cc1ncccc1S(=O)(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000369181905	260309092	/nfs/dbraw/zinc/30/90/92/260309092.db2.gz	COAZDBVUVZXVQR-INIZCTEOSA-N	1	0	356.451	1.754	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1C(F)(F)F	ZINC000370674587	260586811	/nfs/dbraw/zinc/58/68/11/260586811.db2.gz	WUQYXYOYYUZYCC-CMPLNLGQSA-N	1	0	359.373	1.807	20	30		FDEDRO
Cc1ccc(OC[C@@H](O)C[NH+]2CCC(n3cnc(C#N)n3)CC2)c(C)c1	ZINC000373401460	261007514	/nfs/dbraw/zinc/00/75/14/261007514.db2.gz	YJNINMYRZXDGEQ-KRWDZBQOSA-N	1	0	355.442	1.843	20	30		FDEDRO
N#Cc1ncn(C2CC[NH+](Cc3ccccc3N3CCOCC3)CC2)n1	ZINC000373485936	261014323	/nfs/dbraw/zinc/01/43/23/261014323.db2.gz	PYEDMIHNHWNULQ-UHFFFAOYSA-N	1	0	352.442	1.823	20	30		FDEDRO
COCCn1cc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1	ZINC000373813438	261043644	/nfs/dbraw/zinc/04/36/44/261043644.db2.gz	UQELLLMOJDCTLT-SFHVURJKSA-N	1	0	353.426	1.292	20	30		FDEDRO
Cc1c(Cl)cnc(N2CCC(O)(C[NH+]3CCOCC3)CC2)c1C#N	ZINC000374949818	261234027	/nfs/dbraw/zinc/23/40/27/261234027.db2.gz	SJWQSQGVJSKAJE-UHFFFAOYSA-N	1	0	350.850	1.579	20	30		FDEDRO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1	ZINC000375483455	261349590	/nfs/dbraw/zinc/34/95/90/261349590.db2.gz	VZPULRZOUOPHBI-AYOQOUSVSA-N	1	0	368.481	1.894	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)NC2CC[NH+](CC3CCCCC3)CC2)n1	ZINC000376303440	261536730	/nfs/dbraw/zinc/53/67/30/261536730.db2.gz	YWCLHAHHAWMJES-UHFFFAOYSA-N	1	0	359.478	1.494	20	30		FDEDRO
C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000408432627	262107004	/nfs/dbraw/zinc/10/70/04/262107004.db2.gz	OUEAFLBSYDPGEL-NEPJUHHUSA-N	1	0	350.400	1.324	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn(-c2cccc(C#N)c2)n1	ZINC000409642413	262130558	/nfs/dbraw/zinc/13/05/58/262130558.db2.gz	VVZKXTSZICPHSR-QGZVFWFLSA-N	1	0	353.426	1.585	20	30		FDEDRO
C[C@@H](C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)n1cnc(C#N)n1	ZINC000409668232	262132803	/nfs/dbraw/zinc/13/28/03/262132803.db2.gz	JEMXFTNRMFFPEG-HNNXBMFYSA-N	1	0	374.489	1.641	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1)[NH+]1CCCC1	ZINC000972088977	782054089	/nfs/dbraw/zinc/05/40/89/782054089.db2.gz	SNUXOJKTLJDMBH-GGPKGHCWSA-N	1	0	357.498	1.580	20	30		FDEDRO
C=CCn1cc(CNC(=O)N2CC[NH2+]C[C@H]2c2ccc(OC)cc2)nn1	ZINC000892192124	782112729	/nfs/dbraw/zinc/11/27/29/782112729.db2.gz	ADUQAHIIEVLMBR-KRWDZBQOSA-N	1	0	356.430	1.329	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CNc2n[nH]c(C3CC3)c2C#N)C1	ZINC000492358568	489826741	/nfs/dbraw/zinc/82/67/41/489826741.db2.gz	SEPDJSFATSIFKM-AWEZNQCLSA-N	1	0	360.462	1.044	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cnc3ccc(C)cn3c2=O)c1C#N	ZINC000534791880	490409163	/nfs/dbraw/zinc/40/91/63/490409163.db2.gz	ZMPUUQDKMNCHOR-UHFFFAOYSA-N	1	0	365.397	1.002	20	30		FDEDRO
Cn1cc(C#N)c(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)n1	ZINC000610876851	492265927	/nfs/dbraw/zinc/26/59/27/492265927.db2.gz	RLUHTCJHCVJYTL-IRXDYDNUSA-N	1	0	368.441	1.296	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(OC)c3c(c2)OCCO3)c1C#N	ZINC000611166572	492280319	/nfs/dbraw/zinc/28/03/19/492280319.db2.gz	KYYMMINVMGCFQJ-UHFFFAOYSA-N	1	0	371.397	1.465	20	30		FDEDRO
C[C@@H]1CN(C(=O)Nc2ccn(CCC#N)n2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000611201397	492281261	/nfs/dbraw/zinc/28/12/61/492281261.db2.gz	CNZXQPDEOYCQAT-HZPDHXFCSA-N	1	0	359.478	1.286	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(C(=O)N3CCCC3)CC2)cc1	ZINC000025754719	519079625	/nfs/dbraw/zinc/07/96/25/519079625.db2.gz	ULTDBIVTJJPAKK-GOSISDBHSA-N	1	0	357.454	1.632	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)cc1	ZINC000069855969	521964423	/nfs/dbraw/zinc/96/44/23/521964423.db2.gz	FIPQTNNJZKKFFJ-MOPGFXCFSA-N	1	0	359.470	1.342	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](c2nccn2C)c2cccc(OC)c2)CC1	ZINC000057154077	522015031	/nfs/dbraw/zinc/01/50/31/522015031.db2.gz	YOZIJTMGIOMINA-IBGZPJMESA-N	1	0	366.465	1.980	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H](c2cccc(C)c2)N2CCOCC2)CC1	ZINC000057170965	522021163	/nfs/dbraw/zinc/02/11/63/522021163.db2.gz	IDWIBDNLDCXQTP-NRFANRHFSA-N	1	0	369.509	1.830	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)CC1	ZINC000057172148	522022223	/nfs/dbraw/zinc/02/22/23/522022223.db2.gz	MCWBTNHXEBYSGO-INIZCTEOSA-N	1	0	356.470	1.268	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2CCCN(c3ccccc3C#N)CC2)CC1	ZINC000046086574	522223358	/nfs/dbraw/zinc/22/33/58/522223358.db2.gz	XHMUFMXLPVBDQU-UHFFFAOYSA-N	1	0	369.513	1.671	20	30		FDEDRO
C[NH+]=C(NCC[C@](O)(c1nccn1C)C(F)(F)F)N1CCC[C@@H](C)C1	ZINC000072874118	522416117	/nfs/dbraw/zinc/41/61/17/522416117.db2.gz	CRGGCTRUHDPIEE-DOMZBBRYSA-N	1	0	361.412	1.867	20	30		FDEDRO
NC(=[NH+]OCC(=O)N1CCCCCC1)c1ccc(N2CCC(O)CC2)cc1	ZINC000072921386	522428508	/nfs/dbraw/zinc/42/85/08/522428508.db2.gz	ORVBCUQWFHXRSW-UHFFFAOYSA-N	1	0	374.485	1.687	20	30		FDEDRO
O=S1(=O)CC[C@@H](CNC(N[C@H]2CCOc3ccccc32)=[NH+]C2CC2)C1	ZINC000073806910	522612231	/nfs/dbraw/zinc/61/22/31/522612231.db2.gz	DVFBOZRVWDRFLU-BBRMVZONSA-N	1	0	363.483	1.643	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](C)C[NH+]2CCCC2)cc1	ZINC000047905571	522620016	/nfs/dbraw/zinc/62/00/16/522620016.db2.gz	HDQOGIGJDFMWNB-HNNXBMFYSA-N	1	0	365.499	1.613	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)NCCC[NH+]2CCCCC2)CC1	ZINC000074017132	522655325	/nfs/dbraw/zinc/65/53/25/522655325.db2.gz	UFXIGJPJJKNYKB-UHFFFAOYSA-N	1	0	356.474	1.661	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1cccc(CN2C(=O)CNC2=O)c1	ZINC000064361401	522707178	/nfs/dbraw/zinc/70/71/78/522707178.db2.gz	PUBPGXOHCRELDV-UHFFFAOYSA-N	1	0	371.441	1.046	20	30		FDEDRO
C=CCn1nnnc1SCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1	ZINC000064655282	522742997	/nfs/dbraw/zinc/74/29/97/522742997.db2.gz	RJCOIGUTMOSBCR-UHFFFAOYSA-N	1	0	372.498	1.863	20	30		FDEDRO
Cc1noc(COCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)n1	ZINC000074596025	522803795	/nfs/dbraw/zinc/80/37/95/522803795.db2.gz	QCZPVSUGUZSLHJ-UHFFFAOYSA-N	1	0	357.414	1.357	20	30		FDEDRO
C[NH+]=C(NC[C@](C)(O)c1ccco1)N1CCN(Cc2cc(C)on2)CC1	ZINC000075077693	522874708	/nfs/dbraw/zinc/87/47/08/522874708.db2.gz	CDDJKKJUKPRWLP-SFHVURJKSA-N	1	0	361.446	1.177	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000050150312	522893862	/nfs/dbraw/zinc/89/38/62/522893862.db2.gz	DCVHVUUBGAQHNY-KBPBESRZSA-N	1	0	374.441	1.121	20	30		FDEDRO
N#Cc1ccc(OCCC[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1	ZINC000051530993	523034796	/nfs/dbraw/zinc/03/47/96/523034796.db2.gz	VKQUUMPJEQNZTG-SFHVURJKSA-N	1	0	357.454	1.898	20	30		FDEDRO
CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C([O-])=[NH+]CCn1cccn1	ZINC000328625960	523044658	/nfs/dbraw/zinc/04/46/58/523044658.db2.gz	LFOGJQDMBPTMHZ-DOTOQJQBSA-N	1	0	359.478	1.546	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cc(C(=O)N3CCOCC3)ccc2C)CC1	ZINC000076356401	523090687	/nfs/dbraw/zinc/09/06/87/523090687.db2.gz	MKZMVNHRIXLYEP-UHFFFAOYSA-N	1	0	369.465	1.751	20	30		FDEDRO
CC[NH+]1CCC(CCNC(=O)C(=O)Nc2cc(C#N)ccc2OC)CC1	ZINC000076505405	523128243	/nfs/dbraw/zinc/12/82/43/523128243.db2.gz	UHAZMCONSWHQGX-UHFFFAOYSA-N	1	0	358.442	1.744	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC(F)F)cc2)CC1	ZINC000076512916	523129595	/nfs/dbraw/zinc/12/95/95/523129595.db2.gz	YDFITUDGKCMOOO-UHFFFAOYSA-N	1	0	353.369	1.993	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+](CC)CC)C2)cc1	ZINC000076667647	523163557	/nfs/dbraw/zinc/16/35/57/523163557.db2.gz	AAGHIHPXPWUNIE-QGZVFWFLSA-N	1	0	372.469	1.484	20	30		FDEDRO
Cn1c(NC2CC[NH+](Cc3ccc(F)cc3)CC2)c(C#N)c(=O)n(C)c1=O	ZINC000052467227	523180951	/nfs/dbraw/zinc/18/09/51/523180951.db2.gz	QFHKLLLYICRZDN-UHFFFAOYSA-N	1	0	371.416	1.171	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1	ZINC000052679857	523235645	/nfs/dbraw/zinc/23/56/45/523235645.db2.gz	DJSFRYLZBFFTND-HNNXBMFYSA-N	1	0	372.469	1.389	20	30		FDEDRO
COc1cc(C#N)ccc1OCCN1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000077281291	523281327	/nfs/dbraw/zinc/28/13/27/523281327.db2.gz	YFGYMWNXNSSKCP-UHFFFAOYSA-N	1	0	372.469	1.186	20	30		FDEDRO
C[NH+]1CCN(CCCCNS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1	ZINC000077607247	523394696	/nfs/dbraw/zinc/39/46/96/523394696.db2.gz	JNGHDIYYEKBGKB-UHFFFAOYSA-N	1	0	370.906	1.518	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(OCC#N)c1)c1ccccc1	ZINC000077766728	523455150	/nfs/dbraw/zinc/45/51/50/523455150.db2.gz	FGPUECZYUBVXGA-GOSISDBHSA-N	1	0	366.421	1.947	20	30		FDEDRO
Cn1c(N[C@H](C[NH+]2CCCCC2)c2ccccc2)c(C#N)c(=O)n(C)c1=O	ZINC000078333963	523561530	/nfs/dbraw/zinc/56/15/30/523561530.db2.gz	VIRVDPQKBBXRQF-QGZVFWFLSA-N	1	0	367.453	1.595	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)NCC1CC[NH+](Cc2ccccc2)CC1	ZINC000067879821	523619459	/nfs/dbraw/zinc/61/94/59/523619459.db2.gz	PBVDLTOQBFYBTG-UHFFFAOYSA-N	1	0	350.488	1.578	20	30		FDEDRO
COc1ccc(N2C[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)CC2=O)cc1	ZINC000068225641	523736527	/nfs/dbraw/zinc/73/65/27/523736527.db2.gz	QDNGZTVAZAATPS-MRXNPFEDSA-N	1	0	372.469	1.742	20	30		FDEDRO
CC(C)CN1C[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)CC1=O	ZINC000068310271	523755418	/nfs/dbraw/zinc/75/54/18/523755418.db2.gz	RWUVHZWIAXQRSS-IBGZPJMESA-N	1	0	370.497	1.953	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C(=O)NC2CCCCC2)CC1	ZINC000068335419	523762929	/nfs/dbraw/zinc/76/29/29/523762929.db2.gz	VSDWLDUNQFYJQX-AWEZNQCLSA-N	1	0	364.490	1.548	20	30		FDEDRO
C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1	ZINC000068342334	523764698	/nfs/dbraw/zinc/76/46/98/523764698.db2.gz	HHBRSZGFBCCNOB-HNNXBMFYSA-N	1	0	364.471	1.045	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1	ZINC000079644480	523778299	/nfs/dbraw/zinc/77/82/99/523778299.db2.gz	MKNBSDSOQBPREC-HNNXBMFYSA-N	1	0	353.507	1.711	20	30		FDEDRO
C[NH+]1CCN(Cc2ccc(CNS(=O)(=O)CCCCC#N)cc2)CC1	ZINC000068880612	523872052	/nfs/dbraw/zinc/87/20/52/523872052.db2.gz	KDLHPPOSZMFZRR-UHFFFAOYSA-N	1	0	364.515	1.547	20	30		FDEDRO
CC(C)(CO)[NH+]1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1	ZINC000080984193	523926101	/nfs/dbraw/zinc/92/61/01/523926101.db2.gz	CLDIIULMIKHNIW-UHFFFAOYSA-N	1	0	355.398	1.908	20	30		FDEDRO
CCc1cnc(CNC(NCC(=O)N2CCc3ccccc32)=[NH+]C)s1	ZINC000081221132	523950686	/nfs/dbraw/zinc/95/06/86/523950686.db2.gz	UYOQVPHCGYDERF-UHFFFAOYSA-N	1	0	357.483	1.960	20	30		FDEDRO
C[C@@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)CN1CC[NH+](C)CC1	ZINC000120938374	524103429	/nfs/dbraw/zinc/10/34/29/524103429.db2.gz	DZLUSUSQZFAJPT-AWEZNQCLSA-N	1	0	368.478	1.000	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccnc2c(C(N)=O)cnn21)C(C)C	ZINC000135626381	524157341	/nfs/dbraw/zinc/15/73/41/524157341.db2.gz	XEENYOYZAJPYBH-INIZCTEOSA-N	1	0	370.457	1.257	20	30		FDEDRO
C=CCCC[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000121121417	524157436	/nfs/dbraw/zinc/15/74/36/524157436.db2.gz	FSSWNDIEPJQYIT-UONOGXRCSA-N	1	0	353.488	1.798	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)CC1	ZINC000081687878	524169751	/nfs/dbraw/zinc/16/97/51/524169751.db2.gz	OZTGRRITRWLKRD-UHFFFAOYSA-N	1	0	359.821	1.098	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)CC1	ZINC000081687334	524170615	/nfs/dbraw/zinc/17/06/15/524170615.db2.gz	JQSLADUCZCQUEJ-UHFFFAOYSA-N	1	0	360.849	1.760	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)C1	ZINC000083174412	524241434	/nfs/dbraw/zinc/24/14/34/524241434.db2.gz	NFCQMFYZPFKIBE-IAGOWNOFSA-N	1	0	373.526	1.437	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000157333921	524254731	/nfs/dbraw/zinc/25/47/31/524254731.db2.gz	HONXMIMQVYXENG-GFCCVEGCSA-N	1	0	356.879	1.126	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)CC1	ZINC000112111651	524406159	/nfs/dbraw/zinc/40/61/59/524406159.db2.gz	JTPKQODLGMWMBP-SFHVURJKSA-N	1	0	361.490	1.642	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)CC1	ZINC000121917947	524407328	/nfs/dbraw/zinc/40/73/28/524407328.db2.gz	XCMDFSQUQHEFAK-FUHWJXTLSA-N	1	0	358.490	1.281	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCc2c(CC)c(CC)n[nH]c2=O)CC1	ZINC000158212769	524423124	/nfs/dbraw/zinc/42/31/24/524423124.db2.gz	MPFQXQMNJZXQQJ-UHFFFAOYSA-N	1	0	361.490	1.734	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[N@@H+](C2CC2)CC1	ZINC000148977221	524457566	/nfs/dbraw/zinc/45/75/66/524457566.db2.gz	QUYNWJTVYANIPX-UHFFFAOYSA-N	1	0	366.469	1.847	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc1F	ZINC000122160056	524466163	/nfs/dbraw/zinc/46/61/63/524466163.db2.gz	UHECCECEFPZDCH-UHFFFAOYSA-N	1	0	350.394	1.467	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1	ZINC000271675279	674369070	/nfs/dbraw/zinc/36/90/70/674369070.db2.gz	NKIJKWNHVQZCRD-HUUCEWRRSA-N	1	0	365.499	1.834	20	30		FDEDRO
C[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H](C(N)=O)O1	ZINC000122177113	524470329	/nfs/dbraw/zinc/47/03/29/524470329.db2.gz	JJZOAZACRISDCD-MFKMUULPSA-N	1	0	362.455	1.012	20	30		FDEDRO
CN(C)c1ncccc1CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000089120435	524476490	/nfs/dbraw/zinc/47/64/90/524476490.db2.gz	TZYQFNZNDPPMHA-HNNXBMFYSA-N	1	0	374.489	1.528	20	30		FDEDRO
C[NH+]=C(NCc1ccc(C(N)=O)o1)N1CCN(c2ccccc2F)CC1	ZINC000089145505	524478339	/nfs/dbraw/zinc/47/83/39/524478339.db2.gz	IYHIYTPTWCRQCN-UHFFFAOYSA-N	1	0	359.405	1.415	20	30		FDEDRO
CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2cccc(C)c2C#N)CC1	ZINC000122257399	524491566	/nfs/dbraw/zinc/49/15/66/524491566.db2.gz	NXIBJPUIDKLPCF-OAHLLOKOSA-N	1	0	364.515	1.419	20	30		FDEDRO
C[C@H]([NH2+][C@H]1CCc2ncnn2C1)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000112550291	524503981	/nfs/dbraw/zinc/50/39/81/524503981.db2.gz	DDVQOJVDGYDWJX-QWRGUYRKSA-N	1	0	356.455	1.632	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCN([C@H]2CCC[N@H+](C)C2)CC1	ZINC000112638248	524521380	/nfs/dbraw/zinc/52/13/80/524521380.db2.gz	KZIZQPAXSSZNIU-LPHOPBHVSA-N	1	0	355.486	1.597	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1	ZINC000112638244	524521921	/nfs/dbraw/zinc/52/19/21/524521921.db2.gz	KZIZQPAXSSZNIU-QFBILLFUSA-N	1	0	355.486	1.597	20	30		FDEDRO
CN1CC[NH+](CC2CCN(C(=O)Cc3cccc(OCC#N)c3)CC2)CC1	ZINC000089833057	524533357	/nfs/dbraw/zinc/53/33/57/524533357.db2.gz	NHYFUECFEYOLRM-UHFFFAOYSA-N	1	0	370.497	1.617	20	30		FDEDRO
Cc1ccc(C)c(OC[C@H](O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1	ZINC000089942486	524554730	/nfs/dbraw/zinc/55/47/30/524554730.db2.gz	RUQPRHBBPZEJIB-OAHLLOKOSA-N	1	0	357.458	1.785	20	30		FDEDRO
C=CCOc1ccc(C[NH2+]C[C@](C)(O)CN2CCOCC2)cc1OC	ZINC000174489336	524601083	/nfs/dbraw/zinc/60/10/83/524601083.db2.gz	NYLNQRZLZZDHAP-IBGZPJMESA-N	1	0	350.459	1.433	20	30		FDEDRO
C=CCNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1	ZINC000174543093	524621576	/nfs/dbraw/zinc/62/15/76/524621576.db2.gz	IRUGPQJIWVGKOG-INIZCTEOSA-N	1	0	358.442	1.094	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nc(C(F)(F)F)ccc2C#N)CC1	ZINC000151609059	524627716	/nfs/dbraw/zinc/62/77/16/524627716.db2.gz	KUOZFKUHFZIAOF-CYBMUJFWSA-N	1	0	367.375	1.715	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)n1	ZINC000091191378	524652548	/nfs/dbraw/zinc/65/25/48/524652548.db2.gz	MXVUITLQIPLBGR-UHFFFAOYSA-N	1	0	360.462	1.512	20	30		FDEDRO
CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N	ZINC000091226220	524670916	/nfs/dbraw/zinc/67/09/16/524670916.db2.gz	ZQZIHMJXJHXBEP-OAHLLOKOSA-N	1	0	360.462	1.655	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)n1	ZINC000091250896	524683616	/nfs/dbraw/zinc/68/36/16/524683616.db2.gz	SAEWKMJNXHNYMP-UHFFFAOYSA-N	1	0	360.462	1.511	20	30		FDEDRO
C[NH+]=C(NCc1cccc2c1OCO2)N1CCN(c2ncccn2)CC1	ZINC000114067117	524740929	/nfs/dbraw/zinc/74/09/29/524740929.db2.gz	LNNVICPOZLUECC-UHFFFAOYSA-N	1	0	354.414	1.103	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)CC1	ZINC000091629007	524747747	/nfs/dbraw/zinc/74/77/47/524747747.db2.gz	LWGMVOBBVLHAEU-QYZOEREBSA-N	1	0	372.517	1.458	20	30		FDEDRO
COC(=O)Cn1cc(CC[NH+]2CCC(Oc3cccc(C#N)c3)CC2)nn1	ZINC000159861358	524755986	/nfs/dbraw/zinc/75/59/86/524755986.db2.gz	PBWIBBUSIZQYTI-UHFFFAOYSA-N	1	0	369.425	1.409	20	30		FDEDRO
COc1ccccc1CNC(=[NH2+])NCCNS(=O)(=O)c1cccs1	ZINC000160488449	524901001	/nfs/dbraw/zinc/90/10/01/524901001.db2.gz	OBAQUACAEKECIA-UHFFFAOYSA-N	1	0	368.484	1.140	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)CC[NH+]1CCCC1	ZINC000124152038	524917059	/nfs/dbraw/zinc/91/70/59/524917059.db2.gz	XMAVDAWJDUWKNW-UHFFFAOYSA-N	1	0	358.442	1.838	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2cc(C#N)c[nH]2)CC1	ZINC000175283234	524927162	/nfs/dbraw/zinc/92/71/62/524927162.db2.gz	PXHACCYAKFQHJX-UHFFFAOYSA-N	1	0	351.454	1.954	20	30		FDEDRO
C[NH+]=C(NCc1ccc(Br)cc1)N[C@@H]1CCc2ncnn2C1	ZINC000152602318	524940091	/nfs/dbraw/zinc/94/00/91/524940091.db2.gz	HMOBMADBGITIGT-CYBMUJFWSA-N	1	0	363.263	1.721	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](C)[C@H]2C[NH3+])c1	ZINC000124390822	524975164	/nfs/dbraw/zinc/97/51/64/524975164.db2.gz	ZANDVYKVDAGAPR-XJKSGUPXSA-N	1	0	351.472	1.350	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CCC(=O)Nc1sccc1C#N	ZINC000152749517	524989941	/nfs/dbraw/zinc/98/99/41/524989941.db2.gz	DRVRZQXNMCAMHB-UHFFFAOYSA-N	1	0	357.443	1.690	20	30		FDEDRO
CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000160956858	525004342	/nfs/dbraw/zinc/00/43/42/525004342.db2.gz	WVXRSYAFIUHUSO-KRWDZBQOSA-N	1	0	357.454	1.896	20	30		FDEDRO
CN1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)c2c[nH+]ccc21	ZINC000161014252	525016234	/nfs/dbraw/zinc/01/62/34/525016234.db2.gz	WUWUTGFGIDLOGO-UHFFFAOYSA-N	1	0	350.350	1.877	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)nc2)[C@H](C)C1	ZINC000115591688	525030792	/nfs/dbraw/zinc/03/07/92/525030792.db2.gz	LTTFSIIPHRHFTQ-PBHICJAKSA-N	1	0	366.487	1.369	20	30		FDEDRO
CCc1ccc(/C=c2/sc(=C(C#N)C#N)n(C3CC[NH+](C)CC3)c2=O)o1	ZINC000124746690	525067350	/nfs/dbraw/zinc/06/73/50/525067350.db2.gz	JSMMZEMLOZIYLH-LICLKQGHSA-N	1	0	368.462	1.359	20	30		FDEDRO
Cc1nc(SCC(=O)NC[C@@](C)(O)C[NH+](C)C)c(C#N)c(C)c1C	ZINC000152999307	525074416	/nfs/dbraw/zinc/07/44/16/525074416.db2.gz	WCUJDJYJQQOPJH-QGZVFWFLSA-N	1	0	350.488	1.399	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H]2CCCN(S(C)(=O)=O)C2)c1	ZINC000176316955	525080885	/nfs/dbraw/zinc/08/08/85/525080885.db2.gz	HKFKJZAOOYCEIS-INIZCTEOSA-N	1	0	363.483	1.210	20	30		FDEDRO
CCc1nsc(N2CCN(C(NCc3nccs3)=[NH+]C)CC2)n1	ZINC000153154323	525123353	/nfs/dbraw/zinc/12/33/53/525123353.db2.gz	HCFRZUKIVPQASJ-UHFFFAOYSA-N	1	0	351.505	1.455	20	30		FDEDRO
CC[NH+]=C(NCc1cc(C)no1)N1CCN(c2nc(CC)ns2)CC1	ZINC000153150152	525123515	/nfs/dbraw/zinc/12/35/15/525123515.db2.gz	JMXVAFLJBYQMGF-UHFFFAOYSA-N	1	0	363.491	1.685	20	30		FDEDRO
C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000125120378	525146275	/nfs/dbraw/zinc/14/62/75/525146275.db2.gz	KCEHTYCMBRSOHA-CABZTGNLSA-N	1	0	358.261	1.821	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)NCCCC[N@@H+]1CCC[C@H]1CO	ZINC000161736819	525159708	/nfs/dbraw/zinc/15/97/08/525159708.db2.gz	PEONSMRPBVPPKN-INIZCTEOSA-N	1	0	351.472	1.382	20	30		FDEDRO
C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153267056	525161060	/nfs/dbraw/zinc/16/10/60/525161060.db2.gz	PZXPTVSIOLYSKE-CQSZACIVSA-N	1	0	354.458	1.775	20	30		FDEDRO
C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153327999	525180088	/nfs/dbraw/zinc/18/00/88/525180088.db2.gz	MPDBXCIVRGNVTF-GFCCVEGCSA-N	1	0	358.421	1.572	20	30		FDEDRO
N#CCCN(C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1)c1ccccc1	ZINC000125280280	525183629	/nfs/dbraw/zinc/18/36/29/525183629.db2.gz	RSTIOONDJOJQFP-SJLPKXTDSA-N	1	0	354.454	1.924	20	30		FDEDRO
COCc1cc(N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n2ncnc2n1	ZINC000161931594	525189114	/nfs/dbraw/zinc/18/91/14/525189114.db2.gz	NJWZLHGVYRVTAD-UHFFFAOYSA-N	1	0	365.441	1.711	20	30		FDEDRO
C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C1(N2CCOCC2)CCCC1	ZINC000125466022	525201942	/nfs/dbraw/zinc/20/19/42/525201942.db2.gz	CWIIULWQDRVFLG-OAHLLOKOSA-N	1	0	363.483	1.870	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(C#N)nc1	ZINC000162391285	525252213	/nfs/dbraw/zinc/25/22/13/525252213.db2.gz	XAXZVXFAHRPZQD-KSSFIOAISA-N	1	0	356.451	1.752	20	30		FDEDRO
COc1cc(C#N)ccc1OCCN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000162775564	525317223	/nfs/dbraw/zinc/31/72/23/525317223.db2.gz	XQGAJRMYTQSHGK-KRWDZBQOSA-N	1	0	372.469	1.184	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C	ZINC000177652949	525326403	/nfs/dbraw/zinc/32/64/03/525326403.db2.gz	UKEXSMLMIBMIJN-CYBMUJFWSA-N	1	0	360.458	1.988	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1	ZINC000177999296	525366911	/nfs/dbraw/zinc/36/69/11/525366911.db2.gz	RNEQQQFJQCZKQN-GJZGRUSLSA-N	1	0	361.417	1.765	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1	ZINC000178015130	525368789	/nfs/dbraw/zinc/36/87/89/525368789.db2.gz	WVYXZZGFBFCYSC-SJORKVTESA-N	1	0	372.469	1.530	20	30		FDEDRO
C[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1	ZINC000178041158	525374188	/nfs/dbraw/zinc/37/41/88/525374188.db2.gz	LXDBFNMWNOAEBF-OGAOFSLMSA-N	1	0	352.460	1.565	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1	ZINC000178587130	525448573	/nfs/dbraw/zinc/44/85/73/525448573.db2.gz	XGQDKFGMBJPMBW-UHFFFAOYSA-N	1	0	369.429	1.385	20	30		FDEDRO
CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000118109009	525453751	/nfs/dbraw/zinc/45/37/51/525453751.db2.gz	NHPKWPILIJXAGF-UHFFFAOYSA-N	1	0	372.347	1.506	20	30		FDEDRO
CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000118116432	525460738	/nfs/dbraw/zinc/46/07/38/525460738.db2.gz	XOERNAQXHVUGGF-NSHDSACASA-N	1	0	368.384	1.945	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC2CCN(c3cc(CC)ncn3)CC2)CC1	ZINC000178669611	525461532	/nfs/dbraw/zinc/46/15/32/525461532.db2.gz	QKKSJAYQSVTDCU-UHFFFAOYSA-N	1	0	372.517	1.957	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)[N@H+](C)C1CC1	ZINC000118127614	525476315	/nfs/dbraw/zinc/47/63/15/525476315.db2.gz	CLLALHBHHHJZDR-JTQLQIEISA-N	1	0	366.368	1.697	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCCN(c2ncccc2C#N)CC1)[N@H+](C)C1CC1	ZINC000105270240	525484573	/nfs/dbraw/zinc/48/45/73/525484573.db2.gz	WOFRZOXHSPKBOB-HNNXBMFYSA-N	1	0	356.474	1.658	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](NC(=O)c2ccco2)C(C)C)c1C#N	ZINC000128194211	525513732	/nfs/dbraw/zinc/51/37/32/525513732.db2.gz	OZNFTHVLGCYXED-OAHLLOKOSA-N	1	0	372.429	1.419	20	30		FDEDRO
C[NH+]=C(NCc1cccc(N(C)C)n1)N[C@H]1CCCN(c2ncccn2)C1	ZINC000178998213	525517766	/nfs/dbraw/zinc/51/77/66/525517766.db2.gz	BSTFAOGLIZOANS-INIZCTEOSA-N	1	0	368.489	1.272	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+](C)[C@@H]2CCCCNC2=O)c(OC)c1	ZINC000105610763	525521865	/nfs/dbraw/zinc/52/18/65/525521865.db2.gz	RVEXSQMKPRRPAG-IAGOWNOFSA-N	1	0	362.470	1.764	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1	ZINC000154439731	525535334	/nfs/dbraw/zinc/53/53/34/525535334.db2.gz	XTDHIGKALZRIAJ-KRWDZBQOSA-N	1	0	357.454	1.970	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCCN2S(=O)(=O)CCC)CC1	ZINC000106035828	525552918	/nfs/dbraw/zinc/55/29/18/525552918.db2.gz	NCEIFERUPVZLSH-QGZVFWFLSA-N	1	0	371.547	1.737	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)CC1	ZINC000118834418	525553008	/nfs/dbraw/zinc/55/30/08/525553008.db2.gz	BUTMQNBLCNGSPW-WOJBJXKFSA-N	1	0	367.497	1.375	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCN2S(=O)(=O)CCC)CC1	ZINC000106036846	525553479	/nfs/dbraw/zinc/55/34/79/525553479.db2.gz	ZGKPAYVLZFMDIK-MRXNPFEDSA-N	1	0	357.520	1.347	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)CC1	ZINC000106036777	525554239	/nfs/dbraw/zinc/55/42/39/525554239.db2.gz	WIFWPDQHXVUIDH-OAHLLOKOSA-N	1	0	369.469	1.482	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2ccc3c(c2)[nH]c(=O)n(CC)c3=O)CC1	ZINC000106035848	525554533	/nfs/dbraw/zinc/55/45/33/525554533.db2.gz	IYQMZAQWHUOVFC-UHFFFAOYSA-N	1	0	370.453	1.480	20	30		FDEDRO
CC(C)[N@@H+](Cc1ccc(C#N)o1)C[C@@H](O)COc1ccc(CC(N)=O)cc1	ZINC000128618162	525561052	/nfs/dbraw/zinc/56/10/52/525561052.db2.gz	ROOBJSCAGHCCHT-MRXNPFEDSA-N	1	0	371.437	1.829	20	30		FDEDRO
CN(CC1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)c1ccc(C#N)nc1	ZINC000165929368	525566805	/nfs/dbraw/zinc/56/68/05/525566805.db2.gz	PFWKOPRXSROFHL-UHFFFAOYSA-N	1	0	371.466	1.885	20	30		FDEDRO
C=CCC[C@@H]([NH2+]CC(=O)c1c(N)n(CC)c(=O)[nH]c1=O)c1ccccc1	ZINC000180039629	525654152	/nfs/dbraw/zinc/65/41/52/525654152.db2.gz	OZRXNWNQXUXHLI-CQSZACIVSA-N	1	0	356.426	1.619	20	30		FDEDRO
C=CCC[C@H]([NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccccc1	ZINC000180040557	525654589	/nfs/dbraw/zinc/65/45/89/525654589.db2.gz	NMSJJUOTPSAVPN-AWEZNQCLSA-N	1	0	356.426	1.146	20	30		FDEDRO
C[NH+](C)CC(C)(C)Cn1c(=O)/c(=C/c2ccccc2)sc1=C(C#N)C#N	ZINC000170722012	525691627	/nfs/dbraw/zinc/69/16/27/525691627.db2.gz	ZNPYGGRADCLSIN-YVLHZVERSA-N	1	0	366.490	1.524	20	30		FDEDRO
COc1ccc([C@H](CNC(=O)N2CCO[C@@H](C#N)C2)[NH+]2CCCC2)cc1	ZINC000106326971	525691826	/nfs/dbraw/zinc/69/18/26/525691826.db2.gz	FLVNZRJOTXRZPA-ROUUACIJSA-N	1	0	358.442	1.766	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CCO1	ZINC000106331841	525694143	/nfs/dbraw/zinc/69/41/43/525694143.db2.gz	OSNPYFIODVRHSR-LJQANCHMSA-N	1	0	371.485	1.128	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000180442531	525707395	/nfs/dbraw/zinc/70/73/95/525707395.db2.gz	WYHMQAIXODTWQG-UHFFFAOYSA-N	1	0	373.501	1.190	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@@H]2C[NH+]2CCCC2)CC1	ZINC000180605720	525729024	/nfs/dbraw/zinc/72/90/24/525729024.db2.gz	WQLXCQMPAQKVTK-RTBURBONSA-N	1	0	361.534	1.239	20	30		FDEDRO
CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)Nc2cccc(C#N)c2)cc1	ZINC000181018820	525788777	/nfs/dbraw/zinc/78/87/77/525788777.db2.gz	BNKIZKYUKPFVSZ-CYBMUJFWSA-N	1	0	372.450	1.756	20	30		FDEDRO
CCS(=O)(=O)c1cccc(C(=O)N(CCC#N)CCC[NH+](C)C)c1	ZINC000119600403	525801070	/nfs/dbraw/zinc/80/10/70/525801070.db2.gz	CWRPIBNSQAGJHT-UHFFFAOYSA-N	1	0	351.472	1.788	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)C[C@H]1CCCO1	ZINC000171088322	525833307	/nfs/dbraw/zinc/83/33/07/525833307.db2.gz	LTEYGKRRBIVDFU-QGZVFWFLSA-N	1	0	351.472	1.431	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@H](C)c3ccccc3)CC2)o1	ZINC000181378199	525847863	/nfs/dbraw/zinc/84/78/63/525847863.db2.gz	ZRERWMXKIGWDDC-CQSZACIVSA-N	1	0	353.426	1.854	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1	ZINC000181431631	525853510	/nfs/dbraw/zinc/85/35/10/525853510.db2.gz	FCUMLQHFIDOJMH-KGLIPLIRSA-N	1	0	358.442	1.864	20	30		FDEDRO
C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CNC(=O)c2ccc(C#N)cc2)C1	ZINC000171112697	525854299	/nfs/dbraw/zinc/85/42/99/525854299.db2.gz	CPXHVHDXZBWHFK-HOTGVXAUSA-N	1	0	356.470	1.772	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(CC(=O)N(C)C3(C#N)CCCCC3)C2)CC1	ZINC000107369949	525880645	/nfs/dbraw/zinc/88/06/45/525880645.db2.gz	RPKJNKQEWSUENT-SFHVURJKSA-N	1	0	361.534	1.383	20	30		FDEDRO
CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1ccc(C#N)cn1	ZINC000107570314	525896165	/nfs/dbraw/zinc/89/61/65/525896165.db2.gz	HSZVKFXFZMIKNI-MRXNPFEDSA-N	1	0	358.442	1.833	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)nc1	ZINC000107780512	525919591	/nfs/dbraw/zinc/91/95/91/525919591.db2.gz	IURNWAZLFWIQJU-UHFFFAOYSA-N	1	0	369.469	1.408	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1	ZINC000131968946	525924360	/nfs/dbraw/zinc/92/43/60/525924360.db2.gz	VGCZKHZYPKHWDC-OAHLLOKOSA-N	1	0	372.469	1.532	20	30		FDEDRO
CNC(=O)CN1CCC([NH2+]Cc2ccc(OC)c(OCCCC#N)c2)CC1	ZINC000119996173	525929634	/nfs/dbraw/zinc/92/96/34/525929634.db2.gz	SSXZZVSCMWNWIN-UHFFFAOYSA-N	1	0	374.485	1.678	20	30		FDEDRO
CCN(CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1)C[C@H](C)C#N	ZINC000155638852	525930083	/nfs/dbraw/zinc/93/00/83/525930083.db2.gz	LTCVQZIELCBOSP-MRXNPFEDSA-N	1	0	357.458	1.844	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNC(=O)CNc2ccc(C#N)cc2)ccn1	ZINC000155651050	525933421	/nfs/dbraw/zinc/93/34/21/525933421.db2.gz	DIQNJVOQVYPVEM-UHFFFAOYSA-N	1	0	353.426	1.622	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1	ZINC000108389673	525962876	/nfs/dbraw/zinc/96/28/76/525962876.db2.gz	LOEXQIAVGWHAQE-SUMWQHHRSA-N	1	0	363.433	1.971	20	30		FDEDRO
C[NH+](C)CCOc1ccc(NC(=O)C(=O)N(CCC#N)CC2CC2)cc1	ZINC000132707415	525988651	/nfs/dbraw/zinc/98/86/51/525988651.db2.gz	KPMXUOZDUVBUDS-UHFFFAOYSA-N	1	0	358.442	1.718	20	30		FDEDRO
C[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(C#N)cc1	ZINC000181948318	525994046	/nfs/dbraw/zinc/99/40/46/525994046.db2.gz	RPVVQNHGKVMDBP-YOEHRIQHSA-N	1	0	351.472	1.697	20	30		FDEDRO
CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CCO[C@H](C#N)C3)c2C1	ZINC000171621414	526053415	/nfs/dbraw/zinc/05/34/15/526053415.db2.gz	HNPFKOBKBUPMCY-GDBMZVCRSA-N	1	0	370.453	1.736	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CN2CCN(Cc3ccccc3)CC2)CC1	ZINC000171714476	526088881	/nfs/dbraw/zinc/08/88/81/526088881.db2.gz	MHDPNCIGWWTYEG-UHFFFAOYSA-N	1	0	356.514	1.571	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2ccnc(N3CCOCC3)c2)CC1	ZINC000171709690	526089614	/nfs/dbraw/zinc/08/96/14/526089614.db2.gz	HHEYJYHMHVAFTF-UHFFFAOYSA-N	1	0	359.474	1.368	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCC(=O)N2CCCc3ccccc32)CC1	ZINC000171724548	526095840	/nfs/dbraw/zinc/09/58/40/526095840.db2.gz	SCGKRRPLYMCHBE-UHFFFAOYSA-N	1	0	356.470	1.915	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)CC1	ZINC000171723951	526096546	/nfs/dbraw/zinc/09/65/46/526096546.db2.gz	ZQPZFEOZBOZWDX-UHFFFAOYSA-N	1	0	355.438	1.716	20	30		FDEDRO
Cn1cc(CCCNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)cn1	ZINC000133958452	526109449	/nfs/dbraw/zinc/10/94/49/526109449.db2.gz	WJEQJYZHQFWGKS-HNNXBMFYSA-N	1	0	362.478	1.233	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1cc(C)ccc1OC(F)F	ZINC000134009417	526117090	/nfs/dbraw/zinc/11/70/90/526117090.db2.gz	GMJJSTKAFIALBF-UHFFFAOYSA-N	1	0	356.417	1.594	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(CC(=O)Nc2sccc2C#N)CC1	ZINC000109755864	526176280	/nfs/dbraw/zinc/17/62/80/526176280.db2.gz	REQKDUQWEYJIMD-MRXNPFEDSA-N	1	0	361.515	1.660	20	30		FDEDRO
CN1CCN(C(=O)CC2CC[NH+](CCOc3ccc(C#N)cc3)CC2)CC1	ZINC000109788901	526181814	/nfs/dbraw/zinc/18/18/14/526181814.db2.gz	JENRGTBSNRKUTA-UHFFFAOYSA-N	1	0	370.497	1.813	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C	ZINC000934310403	782165664	/nfs/dbraw/zinc/16/56/64/782165664.db2.gz	AJVGHIGEFNSKAS-SFHVURJKSA-N	1	0	360.502	1.896	20	30		FDEDRO
C#CCSCCNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO	ZINC000182678974	535844450	/nfs/dbraw/zinc/84/44/50/535844450.db2.gz	FWJSNUCBNJZVRQ-SFHVURJKSA-N	1	0	361.511	1.809	20	30		FDEDRO
CC[C@@H]([NH2+]CC(=O)N(CC)C[C@@H](C)C#N)c1cccc(S(N)(=O)=O)c1	ZINC000183015161	535904333	/nfs/dbraw/zinc/90/43/33/535904333.db2.gz	ZLNCZPHOUUDMED-XJKSGUPXSA-N	1	0	366.487	1.383	20	30		FDEDRO
C[C@@H](O)[C@@H]1CC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000183176366	535935048	/nfs/dbraw/zinc/93/50/48/535935048.db2.gz	NOHMCQKXKROEJU-UKRRQHHQSA-N	1	0	354.372	1.876	20	30		FDEDRO
C[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C[C@H]1CCOC1	ZINC000183184515	535938300	/nfs/dbraw/zinc/93/83/00/535938300.db2.gz	PUJJBIYOLILJAW-APWZRJJASA-N	1	0	374.460	1.503	20	30		FDEDRO
COc1cccc([C@H]2[C@@H](NC(=O)Cn3cnc(C#N)n3)CC[N@@H+]2C2CC2)c1	ZINC000183254672	535951288	/nfs/dbraw/zinc/95/12/88/535951288.db2.gz	IRGFXNCUWSYVBL-LPHOPBHVSA-N	1	0	366.425	1.253	20	30		FDEDRO
C[NH+](C)CC1(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CCCC1	ZINC000183346692	535965139	/nfs/dbraw/zinc/96/51/39/535965139.db2.gz	JPSQIKSRCLEBAD-UHFFFAOYSA-N	1	0	374.489	1.686	20	30		FDEDRO
C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1	ZINC000184068777	536090516	/nfs/dbraw/zinc/09/05/16/536090516.db2.gz	SATAZJZVZWGSBG-AWEZNQCLSA-N	1	0	360.458	1.905	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C(N)=O	ZINC000184839445	536187041	/nfs/dbraw/zinc/18/70/41/536187041.db2.gz	ZJBAZNAYLMMEQG-JKSUJKDBSA-N	1	0	366.425	1.316	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@H]1CCCC[C@H]1C(N)=O	ZINC000184839501	536187154	/nfs/dbraw/zinc/18/71/54/536187154.db2.gz	ZJBAZNAYLMMEQG-CVEARBPZSA-N	1	0	366.425	1.316	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)[C@H](C)C1	ZINC000187015073	536252566	/nfs/dbraw/zinc/25/25/66/536252566.db2.gz	ZGEIVNZYUKUKCP-AOIWGVFYSA-N	1	0	352.523	1.767	20	30		FDEDRO
C[C@@H]1CN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@@H+]1CCO	ZINC000187698658	536272044	/nfs/dbraw/zinc/27/20/44/536272044.db2.gz	ZMJFQPJRRMPSFE-CYBMUJFWSA-N	1	0	350.850	1.539	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)CC1	ZINC000188316910	536290097	/nfs/dbraw/zinc/29/00/97/536290097.db2.gz	FBSSWUKBLHOEKI-UHFFFAOYSA-N	1	0	373.428	1.582	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)c(C(=O)OC)c2)CC1	ZINC000267132013	536957737	/nfs/dbraw/zinc/95/77/37/536957737.db2.gz	ZRIKUWUZMXTTMP-UHFFFAOYSA-N	1	0	373.453	1.877	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(CCC#N)Cc2ccco2)CC1=O	ZINC000246522991	536972240	/nfs/dbraw/zinc/97/22/40/536972240.db2.gz	VYNHWQUCXBKYMF-IRXDYDNUSA-N	1	0	372.469	1.855	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(CCC#N)Cc2ccco2)CC1=O	ZINC000246522980	536972341	/nfs/dbraw/zinc/97/23/41/536972341.db2.gz	VYNHWQUCXBKYMF-DLBZAZTESA-N	1	0	372.469	1.855	20	30		FDEDRO
O=S1(=O)CC[C@@H](CNC(NCc2ccccn2)=[NH+]C2CCCCC2)C1	ZINC000263116031	536977121	/nfs/dbraw/zinc/97/71/21/536977121.db2.gz	FUWFZBHTKQKAFO-HNNXBMFYSA-N	1	0	364.515	1.884	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccccc1OCCC(N)=O	ZINC000267916047	537001919	/nfs/dbraw/zinc/00/19/19/537001919.db2.gz	GNCXIYNVQBLUFA-UHFFFAOYSA-N	1	0	361.446	1.640	20	30		FDEDRO
C#CC(C)(C)NC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C	ZINC000268522796	537014341	/nfs/dbraw/zinc/01/43/41/537014341.db2.gz	GEZAFKKJOGRGDN-UHFFFAOYSA-N	1	0	365.499	1.367	20	30		FDEDRO
COc1c(C)ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1C	ZINC000189998238	537125370	/nfs/dbraw/zinc/12/53/70/537125370.db2.gz	SBOJIMXSOXKOEB-UHFFFAOYSA-N	1	0	360.458	1.945	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1	ZINC000264164425	537138427	/nfs/dbraw/zinc/13/84/27/537138427.db2.gz	GLAKEFJWVXWJJD-UONOGXRCSA-N	1	0	368.478	1.576	20	30		FDEDRO
COc1ccc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)c(Cl)c1OC	ZINC000264952093	537150848	/nfs/dbraw/zinc/15/08/48/537150848.db2.gz	KUPLTJCVZUEPIE-ICFOKQHNSA-N	1	0	365.817	1.973	20	30		FDEDRO
C[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000190289694	537161802	/nfs/dbraw/zinc/16/18/02/537161802.db2.gz	QHCSEPLTRPMVFW-QZTJIDSGSA-N	1	0	369.469	1.252	20	30		FDEDRO
COC(=O)c1ccc(OC[C@H](O)CN(CC#N)C2CCCC2)c(OC)c1	ZINC000265681548	537166583	/nfs/dbraw/zinc/16/65/83/537166583.db2.gz	DKZFJUJAHWIMTM-MRXNPFEDSA-N	1	0	362.426	1.990	20	30		FDEDRO
COc1ccc(Br)c(C(=O)NCCCNC(=[NH2+])N(C)C)c1	ZINC000191159452	537198928	/nfs/dbraw/zinc/19/89/28/537198928.db2.gz	JDXCLZLEISBLRP-UHFFFAOYSA-N	1	0	357.252	1.454	20	30		FDEDRO
CCC[C@@]1(COC)CCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000248733469	537209530	/nfs/dbraw/zinc/20/95/30/537209530.db2.gz	LYSPOPFTBPRMRE-QUCCMNQESA-N	1	0	364.534	1.960	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)NCC[NH+]2CCCC2)c1	ZINC000191857631	537213510	/nfs/dbraw/zinc/21/35/10/537213510.db2.gz	YVZOUGHSYUEAJQ-UHFFFAOYSA-N	1	0	358.261	1.695	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1	ZINC000192210829	537221841	/nfs/dbraw/zinc/22/18/41/537221841.db2.gz	HOQDQYLMTOFLFP-GOSISDBHSA-N	1	0	357.429	1.388	20	30		FDEDRO
N#CCCCCS(=O)(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000192238307	537222347	/nfs/dbraw/zinc/22/23/47/537222347.db2.gz	VITWXCAWNHNSAO-GOSISDBHSA-N	1	0	365.499	1.891	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H]1C(=O)NCC[C@@H]1C	ZINC000249598102	537239558	/nfs/dbraw/zinc/23/95/58/537239558.db2.gz	QBPVYOQTEHQOJK-IIYDPXPESA-N	1	0	360.483	1.991	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)ccc1F	ZINC000193514341	537250039	/nfs/dbraw/zinc/25/00/39/537250039.db2.gz	SSPWFMSLZUSBDI-SMDDNHRTSA-N	1	0	355.435	1.160	20	30		FDEDRO
CCOC1CC(C[NH+]=C(NCc2ccccc2)N(C)C)(N2CCOCC2)C1	ZINC000193827034	537255888	/nfs/dbraw/zinc/25/58/88/537255888.db2.gz	LMMMEHQUYOKCSX-UHFFFAOYSA-N	1	0	374.529	1.964	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)N1CCc2ccc(C#N)cc21)[NH+]1CCC(C)CC1	ZINC000270158291	537289270	/nfs/dbraw/zinc/28/92/70/537289270.db2.gz	HVOVBZBAJAQCPV-OAHLLOKOSA-N	1	0	354.454	1.684	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cnn(CC[NH+]2CCCCC2)c1	ZINC000363848913	537343765	/nfs/dbraw/zinc/34/37/65/537343765.db2.gz	CAHLJAIRQWIVAK-HNNXBMFYSA-N	1	0	360.462	1.316	20	30		FDEDRO
CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@]3(C#N)CC34CCCC4)CC2)C1	ZINC000333546460	537349475	/nfs/dbraw/zinc/34/94/75/537349475.db2.gz	LWGLWMRIOWEGCK-RXVVDRJESA-N	1	0	374.529	1.714	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCSC[C@H]2C2CCC2)CC1	ZINC000333606353	537349988	/nfs/dbraw/zinc/34/99/88/537349988.db2.gz	XJGWPQJBLRLBIB-MSOLQXFVSA-N	1	0	364.559	1.896	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1	ZINC000272882615	537355506	/nfs/dbraw/zinc/35/55/06/537355506.db2.gz	VXMUGBZQXHAIAU-UHFFFAOYSA-N	1	0	365.499	1.682	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(OCC3CC3)nc2)CC1	ZINC000285930259	537372365	/nfs/dbraw/zinc/37/23/65/537372365.db2.gz	OGTOYKZPLFLNFE-UHFFFAOYSA-N	1	0	372.469	1.253	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)[NH+]1CCC(C)CC1	ZINC000293166784	537374462	/nfs/dbraw/zinc/37/44/62/537374462.db2.gz	XATJTCPSRCOSFE-MRXNPFEDSA-N	1	0	357.458	1.764	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1	ZINC000363962812	537377307	/nfs/dbraw/zinc/37/73/07/537377307.db2.gz	KKGNTRZVPCBGKO-ZWKOTPCHSA-N	1	0	354.454	1.650	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(C[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)C1=O	ZINC000348436975	537385819	/nfs/dbraw/zinc/38/58/19/537385819.db2.gz	YGQVFLFUYKPTBO-ROUUACIJSA-N	1	0	373.453	1.955	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(C(=O)OCCC)cc1	ZINC000293208824	537392812	/nfs/dbraw/zinc/39/28/12/537392812.db2.gz	AXCGROPSNWZTDO-UHFFFAOYSA-N	1	0	359.426	1.263	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)nn1CCC#N	ZINC000271017326	537394751	/nfs/dbraw/zinc/39/47/51/537394751.db2.gz	FKQQWSWXDATVTK-AUUYWEPGSA-N	1	0	374.489	1.670	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(-n3cccn3)cc2)CC1	ZINC000283958357	537396582	/nfs/dbraw/zinc/39/65/82/537396582.db2.gz	IAVXVUVLEFSWLX-UHFFFAOYSA-N	1	0	367.453	1.255	20	30		FDEDRO
C=CCC[C@H](O)C[N@H+]1CCC[C@H](c2n[nH]cc2C(=O)NCCOC)C1	ZINC000364791163	537397163	/nfs/dbraw/zinc/39/71/63/537397163.db2.gz	QDOOUMYRXVMFOS-GJZGRUSLSA-N	1	0	350.463	1.292	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(NC(=O)CC(C)C)cc1	ZINC000293247102	537399304	/nfs/dbraw/zinc/39/93/04/537399304.db2.gz	DHHPYPFHMZQOAO-UHFFFAOYSA-N	1	0	372.469	1.681	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](c2ccco2)N(C)C)CC1	ZINC000283985884	537399673	/nfs/dbraw/zinc/39/96/73/537399673.db2.gz	GHJIYRUKTHDTJB-MRXNPFEDSA-N	1	0	362.474	1.155	20	30		FDEDRO
CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1	ZINC000365041616	537416950	/nfs/dbraw/zinc/41/69/50/537416950.db2.gz	SCAOSVUAQRFRNK-QZTJIDSGSA-N	1	0	354.454	1.507	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C1(Cc2ccc(F)cc2)CCOCC1	ZINC000293337125	537420536	/nfs/dbraw/zinc/42/05/36/537420536.db2.gz	SBYCJXBZNBURKJ-CQSZACIVSA-N	1	0	363.433	1.907	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@](C)(C(=O)OCC)c1ccccc1	ZINC000276330862	537426218	/nfs/dbraw/zinc/42/62/18/537426218.db2.gz	REWIXAOEEHDSFN-AUUYWEPGSA-N	1	0	361.442	1.497	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCOc3ccc(F)cc32)CC1	ZINC000286323395	537432896	/nfs/dbraw/zinc/43/28/96/537432896.db2.gz	AFQQAWAEXARXAL-MRXNPFEDSA-N	1	0	361.417	1.532	20	30		FDEDRO
C[C@@H](c1nc(-c2ccccc2OCC[NH+](C)C)no1)n1cnc(C#N)n1	ZINC000350049435	537466281	/nfs/dbraw/zinc/46/62/81/537466281.db2.gz	SLAVTHBOHXKLBM-LBPRGKRZSA-N	1	0	353.386	1.749	20	30		FDEDRO
C#Cc1ccccc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C	ZINC000291002154	537502539	/nfs/dbraw/zinc/50/25/39/537502539.db2.gz	GVXSUJNRVSGLGY-YQQQUEKLSA-N	1	0	353.466	1.410	20	30		FDEDRO
C#CCNC(=O)CC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)OC	ZINC000293582707	537524600	/nfs/dbraw/zinc/52/46/00/537524600.db2.gz	TXHOLCYPFHVSDU-MRXNPFEDSA-N	1	0	374.437	1.306	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3cccnc3C#N)C[C@@H]2[C@@H]1c1ccccc1	ZINC000365478019	537533867	/nfs/dbraw/zinc/53/38/67/537533867.db2.gz	QBUQPYIIBSNRNH-GJYPPUQNSA-N	1	0	368.462	1.877	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1)C(C)C	ZINC000281531234	537558496	/nfs/dbraw/zinc/55/84/96/537558496.db2.gz	MMSWCBWHMZLQLY-INIZCTEOSA-N	1	0	359.495	1.948	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1)C(C)C	ZINC000281531240	537559063	/nfs/dbraw/zinc/55/90/63/537559063.db2.gz	MMSWCBWHMZLQLY-MRXNPFEDSA-N	1	0	359.495	1.948	20	30		FDEDRO
C=CCc1cc(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)cc(OC)c1O	ZINC000360017942	537575650	/nfs/dbraw/zinc/57/56/50/537575650.db2.gz	FLQOMYWNYXNKDF-YWZLYKJASA-N	1	0	373.453	1.939	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)ccc1F	ZINC000360399562	537585306	/nfs/dbraw/zinc/58/53/06/537585306.db2.gz	CPTCWUNOMUUQML-GJZGRUSLSA-N	1	0	367.446	1.307	20	30		FDEDRO
COc1cccc(C(=O)NCCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)c1	ZINC000304482873	537598368	/nfs/dbraw/zinc/59/83/68/537598368.db2.gz	KCUJRJYOQUNHFF-QGZVFWFLSA-N	1	0	368.437	1.853	20	30		FDEDRO
C=CCNC(=O)c1ccc(N2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)nc1	ZINC000362984666	537601005	/nfs/dbraw/zinc/60/10/05/537601005.db2.gz	TXCCRVZWQCLYSR-KRWDZBQOSA-N	1	0	357.502	1.461	20	30		FDEDRO
C=C(C)COc1cc(C[NH2+]CCN2CCN(C(C)=O)CC2)ccc1OC	ZINC000237139205	537614360	/nfs/dbraw/zinc/61/43/60/537614360.db2.gz	MNXSAHCMPJCEPT-UHFFFAOYSA-N	1	0	361.486	1.904	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccc(OC)cc1	ZINC000293892061	537618811	/nfs/dbraw/zinc/61/88/11/537618811.db2.gz	DNAYQGJKLSKBQD-QUCCMNQESA-N	1	0	371.481	1.676	20	30		FDEDRO
COc1ccc(C[NH+]2CCC(C(=O)N3CCN(C)CC3)CC2)cc1C#N	ZINC000289900742	537620996	/nfs/dbraw/zinc/62/09/96/537620996.db2.gz	UIMBOUHGPSAQLI-UHFFFAOYSA-N	1	0	356.470	1.553	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CNS(=O)(=O)c2cncc(C#N)c2)cc1	ZINC000289931442	537630102	/nfs/dbraw/zinc/63/01/02/537630102.db2.gz	UWLGQQOJTQRNNI-UHFFFAOYSA-N	1	0	360.439	1.372	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccc4c(c3)OCCO4)CC2)C1=O	ZINC000329163194	537635120	/nfs/dbraw/zinc/63/51/20/537635120.db2.gz	GIHNRYQRWOTAQZ-OAHLLOKOSA-N	1	0	359.426	1.458	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1	ZINC000329503105	537637958	/nfs/dbraw/zinc/63/79/58/537637958.db2.gz	YZIJNJYHLGVWTH-IAGOWNOFSA-N	1	0	366.506	1.346	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)N1CCOCC(F)(F)C1	ZINC000329544285	537638617	/nfs/dbraw/zinc/63/86/17/537638617.db2.gz	FXBGZQDFWOLVKW-HUUCEWRRSA-N	1	0	361.433	1.636	20	30		FDEDRO
C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1	ZINC000329612635	537640265	/nfs/dbraw/zinc/64/02/65/537640265.db2.gz	DPOPGDKOYBAXFC-NUEKZKHPSA-N	1	0	357.520	1.720	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccnn1CC[NH+](C)C	ZINC000294016122	537642142	/nfs/dbraw/zinc/64/21/42/537642142.db2.gz	JANNDHZMWKFIOR-UHFFFAOYSA-N	1	0	356.430	1.605	20	30		FDEDRO
C[C@@H]1[C@H](NC(=O)N2CCCS(=O)(=O)CC2)CCN1Cc1ccccc1	ZINC000329715297	537642235	/nfs/dbraw/zinc/64/22/35/537642235.db2.gz	UULAWXLJAUFLNH-NVXWUHKLSA-N	1	0	365.499	1.684	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C[C@H](NC(C)=O)c1ccc(F)cc1F	ZINC000294024486	537644168	/nfs/dbraw/zinc/64/41/68/537644168.db2.gz	QWSVXLAEUFJXAP-KRWDZBQOSA-N	1	0	351.397	1.603	20	30		FDEDRO
O=C(N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)N1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000330027316	537650355	/nfs/dbraw/zinc/65/03/55/537650355.db2.gz	MXDLDGMNLIOSQF-LESCRADOSA-N	1	0	360.458	1.949	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000330513596	537658099	/nfs/dbraw/zinc/65/80/99/537658099.db2.gz	CTRSWZURMNITHF-FTEYMNFISA-N	1	0	363.550	1.387	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3C)C2)CC1	ZINC000290114709	537673468	/nfs/dbraw/zinc/67/34/68/537673468.db2.gz	GEUKTOFZQGLTQC-GOSISDBHSA-N	1	0	365.485	1.570	20	30		FDEDRO
CCc1nc(C)c(CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)o1	ZINC000291875983	537686522	/nfs/dbraw/zinc/68/65/22/537686522.db2.gz	HWXXKLKOIUOJGW-ZDUSSCGKSA-N	1	0	363.462	1.926	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc(C#N)ccc1Cl	ZINC000285506677	537722687	/nfs/dbraw/zinc/72/26/87/537722687.db2.gz	FJUREVLFOWCZNX-INIZCTEOSA-N	1	0	362.861	1.884	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC#N)N(C)CCN1CC[NH+](Cc2ccccc2)CC1	ZINC000285510725	537723212	/nfs/dbraw/zinc/72/32/12/537723212.db2.gz	QWYNYQDAWPJZLO-IBGZPJMESA-N	1	0	371.529	1.497	20	30		FDEDRO
N#Cc1ccc(CN2CC[NH+](C[C@H](O)COCC(F)(F)F)CC2)cc1	ZINC000292342220	537728683	/nfs/dbraw/zinc/72/86/83/537728683.db2.gz	DMUYWYMESXXDNJ-INIZCTEOSA-N	1	0	357.376	1.616	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292450874	537737470	/nfs/dbraw/zinc/73/74/70/537737470.db2.gz	ZDLNVUKVQIWKPN-SJORKVTESA-N	1	0	357.458	1.990	20	30		FDEDRO
COc1ccc(C[NH+]2CCC(CNS(=O)(=O)[C@@H](C)C#N)CC2)cc1	ZINC000416385200	537823667	/nfs/dbraw/zinc/82/36/67/537823667.db2.gz	OZEGVLMEEMNLGE-AWEZNQCLSA-N	1	0	351.472	1.739	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1F	ZINC000418892913	537828098	/nfs/dbraw/zinc/82/80/98/537828098.db2.gz	WNHSTMRKXAFAMC-QGZVFWFLSA-N	1	0	358.417	1.304	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+]	ZINC000418925370	537850195	/nfs/dbraw/zinc/85/01/95/537850195.db2.gz	QCJNSPKYKFJSCF-MRXNPFEDSA-N	1	0	360.483	1.247	20	30		FDEDRO
Cc1ccc(-c2nc(C3([NH3+])CCCC3)no2)cc1S(=O)(=O)NCC#N	ZINC000414613828	537865215	/nfs/dbraw/zinc/86/52/15/537865215.db2.gz	GJKFRVMOKSJVML-UHFFFAOYSA-N	1	0	361.427	1.575	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+]	ZINC000419058891	537915946	/nfs/dbraw/zinc/91/59/46/537915946.db2.gz	QRBBFMYENCIKGR-KZNAEPCWSA-N	1	0	359.470	1.255	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H](C)[NH2+]CC)cc1	ZINC000414886695	537931646	/nfs/dbraw/zinc/93/16/46/537931646.db2.gz	CTXZKKBUNRMMKN-CYBMUJFWSA-N	1	0	354.476	1.613	20	30		FDEDRO
C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000419116172	537945388	/nfs/dbraw/zinc/94/53/88/537945388.db2.gz	OPNYENHAEBZDOQ-WFASDCNBSA-N	1	0	367.371	1.430	20	30		FDEDRO
CCC([NH3+])(CC)CNC(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000419118748	537946931	/nfs/dbraw/zinc/94/69/31/537946931.db2.gz	RKAZBTRWJVWPOV-UHFFFAOYSA-N	1	0	369.387	1.807	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1	ZINC000414992723	537953332	/nfs/dbraw/zinc/95/33/32/537953332.db2.gz	BPVMRNNKYSMZFU-UHFFFAOYSA-N	1	0	359.348	1.812	20	30		FDEDRO
C=CC[C@H](CO)CNC(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1	ZINC000415035823	537955346	/nfs/dbraw/zinc/95/53/46/537955346.db2.gz	LATHPCNHSDQRDV-JTQLQIEISA-N	1	0	359.348	1.403	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CCN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)nc1	ZINC000377563041	537977402	/nfs/dbraw/zinc/97/74/02/537977402.db2.gz	MKPOCUUDVCAINU-IKGGRYGDSA-N	1	0	360.483	1.143	20	30		FDEDRO
C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1	ZINC000415202825	537977955	/nfs/dbraw/zinc/97/79/55/537977955.db2.gz	PJLJOSXVRKOCLS-MRXNPFEDSA-N	1	0	374.485	1.380	20	30		FDEDRO
C=CCN(C(=O)NCC(=O)NCC1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000368388433	537977968	/nfs/dbraw/zinc/97/79/68/537977968.db2.gz	BNKVYZMDCSIVPD-LJQANCHMSA-N	1	0	370.497	1.985	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CCN2CCC[N@@H+](C3CCCC3)CC2)nc1	ZINC000377563523	537978038	/nfs/dbraw/zinc/97/80/38/537978038.db2.gz	NOWQCEGXOKZFFE-UHFFFAOYSA-N	1	0	362.499	1.677	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N(C)C2CCN(c3ncccn3)CC2)CC1	ZINC000369306796	538014376	/nfs/dbraw/zinc/01/43/76/538014376.db2.gz	KPJZLWKDPSTJNM-UHFFFAOYSA-N	1	0	358.490	1.737	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN(CC(=O)Nc3sccc3C#N)C2)CC1	ZINC000377833397	538033264	/nfs/dbraw/zinc/03/32/64/538033264.db2.gz	YWOXEUFSRDTPSZ-MRXNPFEDSA-N	1	0	361.515	1.659	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC[C@@H]1[NH3+]	ZINC000415431392	538045498	/nfs/dbraw/zinc/04/54/98/538045498.db2.gz	GIRJHLHLFFDMKV-ZANVPECISA-N	1	0	365.231	1.455	20	30		FDEDRO
C#CCCOc1ccc(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1	ZINC000377977115	538052612	/nfs/dbraw/zinc/05/26/12/538052612.db2.gz	KKFDNGZQWCKDDA-UZLBHIALSA-N	1	0	355.438	1.899	20	30		FDEDRO
C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1cccc(C#N)c1Br	ZINC000419636247	538088097	/nfs/dbraw/zinc/08/80/97/538088097.db2.gz	HCNTXPHSEJKYDY-UHFFFAOYSA-N	1	0	367.247	1.716	20	30		FDEDRO
CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]Cc2cnc3ccc(C#N)cn23)C1=O	ZINC000371087493	538098836	/nfs/dbraw/zinc/09/88/36/538098836.db2.gz	BIEHSSLXATVAGN-ACJLOTCBSA-N	1	0	352.398	1.016	20	30		FDEDRO
Cc1ccc(-n2nc(CCCNC(=O)N[C@H](C)[C@@H](C)[NH3+])c(C#N)c2N)cc1	ZINC000418698212	538099937	/nfs/dbraw/zinc/09/99/37/538099937.db2.gz	CPBCHUNKBYGGPB-ZIAGYGMSSA-N	1	0	369.473	1.602	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c1	ZINC000438665677	538122330	/nfs/dbraw/zinc/12/23/30/538122330.db2.gz	FCVUZQUCIILOBL-UHFFFAOYSA-N	1	0	363.377	2.409	20	30		FDEDRO
C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000423653984	538133001	/nfs/dbraw/zinc/13/30/01/538133001.db2.gz	PVDYRSUTIYNXSA-GOEBONIOSA-N	1	0	370.453	1.124	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)C[C@H]1C[NH3+]	ZINC000423712984	538146411	/nfs/dbraw/zinc/14/64/11/538146411.db2.gz	UYGTYWWPHWAFRB-DDBAPUKQSA-N	1	0	354.454	1.195	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C	ZINC000439340566	538168801	/nfs/dbraw/zinc/16/88/01/538168801.db2.gz	CIMALXJJUVEKCL-CQSZACIVSA-N	1	0	358.442	1.837	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)C3(c4cc(F)cc(C#N)c4)CC3)C2)CC1	ZINC000560473405	545513918	/nfs/dbraw/zinc/51/39/18/545513918.db2.gz	RDJXJRSEIQHCKP-LJQANCHMSA-N	1	0	370.472	1.967	20	30		FDEDRO
C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000439356048	538173672	/nfs/dbraw/zinc/17/36/72/538173672.db2.gz	UDWFCZYLOCRNQD-NSHDSACASA-N	1	0	366.368	1.651	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C	ZINC000420053504	538198859	/nfs/dbraw/zinc/19/88/59/538198859.db2.gz	GKZMVQACOWULKG-DOTOQJQBSA-N	1	0	359.470	1.473	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C2CC2)cc1	ZINC000420072785	538202360	/nfs/dbraw/zinc/20/23/60/538202360.db2.gz	NNMLICPRCRJZCM-SFHVURJKSA-N	1	0	354.454	1.683	20	30		FDEDRO
Cc1ccc(OCC(=O)N2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)cc1	ZINC000424110739	538235807	/nfs/dbraw/zinc/23/58/07/538235807.db2.gz	DNEASFWUDJKRGN-QGZVFWFLSA-N	1	0	358.442	1.066	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2cc3occc3s2)CC1	ZINC000424115601	538238910	/nfs/dbraw/zinc/23/89/10/538238910.db2.gz	AOQOQGKISMHVIB-GFCCVEGCSA-N	1	0	360.439	1.800	20	30		FDEDRO
CCOC(=O)c1cc(NC(=O)[C@H]([NH3+])CCCC#N)cc(S(C)(=O)=O)c1	ZINC000424120993	538239610	/nfs/dbraw/zinc/23/96/10/538239610.db2.gz	HXHUQPRDCWKBSI-CQSZACIVSA-N	1	0	367.427	1.226	20	30		FDEDRO
C=CCn1c([C@H]2CCCS2)nnc1N1CCN(CC(=O)NCC)CC1	ZINC000424128564	538242336	/nfs/dbraw/zinc/24/23/36/538242336.db2.gz	RNSDZKIJXVKQAK-CQSZACIVSA-N	1	0	364.519	1.290	20	30		FDEDRO
Cc1nc(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1C#N	ZINC000440502591	538247281	/nfs/dbraw/zinc/24/72/81/538247281.db2.gz	HSUFCBOMHGGVRA-HXUWFJFHSA-N	1	0	350.422	1.629	20	30		FDEDRO
COC(=O)c1ccc(N2CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@H](C)C2)cc1	ZINC000424193751	538252033	/nfs/dbraw/zinc/25/20/33/538252033.db2.gz	RFLOURHDXIZPBV-RHSMWYFYSA-N	1	0	358.442	1.531	20	30		FDEDRO
COC(=O)c1ccc(N2CCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H](C)C2)cc1	ZINC000424193749	538252363	/nfs/dbraw/zinc/25/23/63/538252363.db2.gz	RFLOURHDXIZPBV-PBHICJAKSA-N	1	0	358.442	1.531	20	30		FDEDRO
CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2ccc(C#N)c(OC)c2)cn1	ZINC000440610577	538261431	/nfs/dbraw/zinc/26/14/31/538261431.db2.gz	MKSMLIYMSZFVEB-APWZRJJASA-N	1	0	353.426	1.893	20	30		FDEDRO
CC#CCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1	ZINC000440705901	538270223	/nfs/dbraw/zinc/27/02/23/538270223.db2.gz	RJDDRRKNOARHPQ-UHFFFAOYSA-N	1	0	359.495	1.746	20	30		FDEDRO
COc1ccc([C@@H]2CC[NH2+]C[C@H]2NS(=O)(=O)c2cccc(C#N)c2)cc1	ZINC000440867158	538289284	/nfs/dbraw/zinc/28/92/84/538289284.db2.gz	RVFTXYUEFFFYLL-RBUKOAKNSA-N	1	0	371.462	1.991	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C[C@@]1(C)C[NH3+]	ZINC000420454736	538297206	/nfs/dbraw/zinc/29/72/06/538297206.db2.gz	DONRMCHLFRWQQX-QMTHXVAHSA-N	1	0	372.288	1.926	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cn(C)nc2C(F)(F)F)CC1	ZINC000446555381	538304469	/nfs/dbraw/zinc/30/44/69/538304469.db2.gz	LISSRSIGNQTEMD-UHFFFAOYSA-N	1	0	373.379	1.534	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H]2C(=O)NCC[C@H]2C)cc1	ZINC000441340973	538323155	/nfs/dbraw/zinc/32/31/55/538323155.db2.gz	RSWHBRUBCWRVLC-RDTXWAMCSA-N	1	0	358.442	1.446	20	30		FDEDRO
COCC(C)(C)[NH+]1CCN([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1	ZINC000424522854	538324289	/nfs/dbraw/zinc/32/42/89/538324289.db2.gz	HSXOQFPXFMQKBV-QGZVFWFLSA-N	1	0	370.453	1.233	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(C(=O)CNc3cccc(C#N)c3)CC2)CC1	ZINC000434663309	538338422	/nfs/dbraw/zinc/33/84/22/538338422.db2.gz	FMVTWQCVXNLZQA-UHFFFAOYSA-N	1	0	369.513	1.987	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)NCc3ccc(C#N)s3)cn2)CC1	ZINC000420766237	538353745	/nfs/dbraw/zinc/35/37/45/538353745.db2.gz	RSYJLWNASSNEFP-UHFFFAOYSA-N	1	0	370.482	1.766	20	30		FDEDRO
C=CCn1cc(CNC(=O)c2ccc(N3CC[NH+](CC)CC3)cc2)nn1	ZINC000424906726	538356551	/nfs/dbraw/zinc/35/65/51/538356551.db2.gz	GLQYWTYXWWONMI-UHFFFAOYSA-N	1	0	354.458	1.536	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)cc1F	ZINC000421367346	538397761	/nfs/dbraw/zinc/39/77/61/538397761.db2.gz	SOJRFPJDCJBJHG-OAHLLOKOSA-N	1	0	355.435	1.275	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C[C@@H](C)[NH2+]1	ZINC000423527078	538398823	/nfs/dbraw/zinc/39/88/23/538398823.db2.gz	MBNOFHGWULUPAO-XYVMCAHJSA-N	1	0	354.454	1.494	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(C#N)oc3C)cn2)CC1	ZINC000436134186	538411322	/nfs/dbraw/zinc/41/13/22/538411322.db2.gz	PMVIDPLGXSGFOG-UHFFFAOYSA-N	1	0	353.426	1.927	20	30		FDEDRO
C[NH+](C)CCOCCNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000471645232	538529791	/nfs/dbraw/zinc/52/97/91/538529791.db2.gz	XPJIZJSRTALRSE-UHFFFAOYSA-N	1	0	360.458	1.689	20	30		FDEDRO
C[NH+](C)[C@]1(CNS(=O)(=O)Cc2cc(C#N)ccc2F)CCSC1	ZINC000500937913	538581089	/nfs/dbraw/zinc/58/10/89/538581089.db2.gz	HOGLOXCSICJUIF-HNNXBMFYSA-N	1	0	357.476	1.554	20	30		FDEDRO
C[C@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1cccc(C#N)c1	ZINC000462255413	538609341	/nfs/dbraw/zinc/60/93/41/538609341.db2.gz	QXYWAHSLNZTEPW-MAUKXSAKSA-N	1	0	354.454	1.427	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1	ZINC000467283040	538639666	/nfs/dbraw/zinc/63/96/66/538639666.db2.gz	STAGXRRNGVZQHY-MRXNPFEDSA-N	1	0	366.469	1.500	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCc2n[nH]c(=O)cc2C1)C(C)C	ZINC000482744741	538641934	/nfs/dbraw/zinc/64/19/34/538641934.db2.gz	UUKFAOZUJQKNAL-KRWDZBQOSA-N	1	0	359.474	1.949	20	30		FDEDRO
C[C@@H](C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)c1cccc(C#N)c1	ZINC000462585040	538643070	/nfs/dbraw/zinc/64/30/70/538643070.db2.gz	QQODAKKBDNGVCX-MRXNPFEDSA-N	1	0	357.454	1.347	20	30		FDEDRO
CC[C@]1(O)CC[N@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000495233513	538649384	/nfs/dbraw/zinc/64/93/84/538649384.db2.gz	PKKBEWQIJGEKRB-QUCCMNQESA-N	1	0	374.460	1.381	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H]([NH+](C)C)[C@@H](SC)C3)cc2C1=O	ZINC000495681984	538678776	/nfs/dbraw/zinc/67/87/76/538678776.db2.gz	MTRQQAAUZPYZNP-CVEARBPZSA-N	1	0	373.478	1.586	20	30		FDEDRO
C[C@H](C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1)n1cnc(C#N)n1	ZINC000456344774	538697898	/nfs/dbraw/zinc/69/78/98/538697898.db2.gz	RWMMXNJIEBMVFC-JKSUJKDBSA-N	1	0	352.442	1.691	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([NH2+][C@H]3CCCC[C@@H]3N3CCOCC3)C2=O)cc1	ZINC000560704176	545585000	/nfs/dbraw/zinc/58/50/00/545585000.db2.gz	ROSUYYMXNJQKBB-UFYCRDLUSA-N	1	0	368.481	1.897	20	30		FDEDRO
C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1	ZINC000473105239	538748332	/nfs/dbraw/zinc/74/83/32/538748332.db2.gz	VKXIBBCHFQXFQK-SFHVURJKSA-N	1	0	365.433	1.064	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1	ZINC000488853909	538770246	/nfs/dbraw/zinc/77/02/46/538770246.db2.gz	LQBHYKMDCXXJDK-GOSISDBHSA-N	1	0	360.502	1.541	20	30		FDEDRO
CC[N@@H+]1CCCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1	ZINC000473687186	538790260	/nfs/dbraw/zinc/79/02/60/538790260.db2.gz	UGEZQCPJCCBWPY-GOSISDBHSA-N	1	0	354.454	1.603	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)Nc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)c1	ZINC000479573660	538813214	/nfs/dbraw/zinc/81/32/14/538813214.db2.gz	ADOFKEFHHGYYHW-UHFFFAOYSA-N	1	0	365.437	1.878	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCO[C@H](C(C)C)C2)CC1	ZINC000561412998	545837975	/nfs/dbraw/zinc/83/79/75/545837975.db2.gz	WKJJSIJYGWGWEU-SJORKVTESA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2ccncc2OC)CC1	ZINC000561415343	545839855	/nfs/dbraw/zinc/83/98/55/545839855.db2.gz	RIOSMBGZJHYUKL-CQSZACIVSA-N	1	0	360.458	1.424	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](CC)c2nccs2)CC1	ZINC000561439127	545852051	/nfs/dbraw/zinc/85/20/51/545852051.db2.gz	GZFWMYKAVCYFCQ-CQSZACIVSA-N	1	0	350.488	1.867	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2cnn(C(C)C)c2)CC1	ZINC000561450371	545855990	/nfs/dbraw/zinc/85/59/90/545855990.db2.gz	GVKWFDZGCVNVKS-OAHLLOKOSA-N	1	0	361.490	1.798	20	30		FDEDRO
N#CCNC(=O)CNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1	ZINC000561517424	545881378	/nfs/dbraw/zinc/88/13/78/545881378.db2.gz	STBOZBFFTHQUHF-UHFFFAOYSA-N	1	0	357.458	1.502	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2cnccc2C#N)c1	ZINC000561588311	545904625	/nfs/dbraw/zinc/90/46/25/545904625.db2.gz	CJFISGAWAWAKHS-UHFFFAOYSA-N	1	0	351.410	1.175	20	30		FDEDRO
CC(C)C[NH+]1CCC(NC(=O)N2CCN(c3cnccc3C#N)CC2)CC1	ZINC000562348825	546104117	/nfs/dbraw/zinc/10/41/17/546104117.db2.gz	WNJLESUCMDWJFU-UHFFFAOYSA-N	1	0	370.501	1.905	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1	ZINC000562448359	546143744	/nfs/dbraw/zinc/14/37/44/546143744.db2.gz	KGNAAKMBXMUIGW-OAHLLOKOSA-N	1	0	356.426	1.638	20	30		FDEDRO
CCN(CC)C(=O)CCC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1	ZINC000562983841	546340861	/nfs/dbraw/zinc/34/08/61/546340861.db2.gz	ACOYKNKAANYYOD-UHFFFAOYSA-N	1	0	351.472	1.570	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]CC2(N3CCCC3)CCOCC2)cc1	ZINC000562986357	546342274	/nfs/dbraw/zinc/34/22/74/546342274.db2.gz	XGZZLWHVAQJALI-SFHVURJKSA-N	1	0	359.470	1.533	20	30		FDEDRO
CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C(=O)N2CCC(CCC#N)CC2)CC1	ZINC000563140550	546421714	/nfs/dbraw/zinc/42/17/14/546421714.db2.gz	HBIYAHJZMCGTCV-QGZVFWFLSA-N	1	0	360.502	1.765	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1	ZINC000563784056	546682695	/nfs/dbraw/zinc/68/26/95/546682695.db2.gz	RPXICJZSTKSHBA-CALCHBBNSA-N	1	0	368.547	1.500	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1	ZINC000564756546	547026371	/nfs/dbraw/zinc/02/63/71/547026371.db2.gz	VZWYQDXWAXEUFY-YJBOKZPZSA-N	1	0	366.465	1.814	20	30		FDEDRO
Cc1csc(NC(=O)N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c1C#N	ZINC000565164899	547229093	/nfs/dbraw/zinc/22/90/93/547229093.db2.gz	WDRAUJYVZONBAF-CYBMUJFWSA-N	1	0	361.471	1.746	20	30		FDEDRO
C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N	ZINC000565422612	547344404	/nfs/dbraw/zinc/34/44/04/547344404.db2.gz	QPGYSKSCMJFLNO-QWHCGFSZSA-N	1	0	367.409	1.926	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCc2ccc3c(c2)OCO3)cc1	ZINC000565750409	547464879	/nfs/dbraw/zinc/46/48/79/547464879.db2.gz	LYEOEWOBIZRPPX-UHFFFAOYSA-N	1	0	358.419	1.893	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@]4(C3)CCC[NH2+]C4)cc2C1=O	ZINC000566102160	547602723	/nfs/dbraw/zinc/60/27/23/547602723.db2.gz	RSHNCQBCOMLWMJ-FQEVSTJZSA-N	1	0	353.422	1.684	20	30		FDEDRO
COCC[NH2+]C1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1	ZINC000566356350	547728474	/nfs/dbraw/zinc/72/84/74/547728474.db2.gz	VSYBKIOLIYHLKC-UHFFFAOYSA-N	1	0	357.863	1.601	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1	ZINC000566673468	547847587	/nfs/dbraw/zinc/84/75/87/547847587.db2.gz	NJPURPFPXQKTLS-WBVHZDCISA-N	1	0	368.499	1.026	20	30		FDEDRO
COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C#N)ccc1C	ZINC000567150806	548013170	/nfs/dbraw/zinc/01/31/70/548013170.db2.gz	RWOOJNKTZBEUJD-UHFFFAOYSA-N	1	0	365.499	1.988	20	30		FDEDRO
C[C@H]1CN(CCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C[C@H](C)O1	ZINC000567536825	548153428	/nfs/dbraw/zinc/15/34/28/548153428.db2.gz	XVZQWCVZRNDAOR-HOTGVXAUSA-N	1	0	365.499	1.421	20	30		FDEDRO
C[C@H]1OCC[C@]1(O)C[N@H+](CCC(=O)N(C)CCC#N)Cc1ccccc1	ZINC000567609034	548179975	/nfs/dbraw/zinc/17/99/75/548179975.db2.gz	AKWXOUCSIWGQOC-XLIONFOSSA-N	1	0	359.470	1.791	20	30		FDEDRO
C[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)N1CCC[C@@H](C)C1	ZINC000567679200	548208773	/nfs/dbraw/zinc/20/87/73/548208773.db2.gz	OUNZILWPAGWETQ-HUUCEWRRSA-N	1	0	350.488	1.437	20	30		FDEDRO
C[C@@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)C1(S(C)(=O)=O)CC1	ZINC000567708487	548222847	/nfs/dbraw/zinc/22/28/47/548222847.db2.gz	PSIACHUHEXSUSN-HIFRSBDPSA-N	1	0	352.456	1.048	20	30		FDEDRO
N#Cc1ccccc1OCC[N@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1	ZINC000567787060	548258614	/nfs/dbraw/zinc/25/86/14/548258614.db2.gz	IRUXFEDQKKKDEB-HNNXBMFYSA-N	1	0	363.483	1.731	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1	ZINC000568601197	548600083	/nfs/dbraw/zinc/60/00/83/548600083.db2.gz	RKZPUFKRBJGJHS-OKYOBFRVSA-N	1	0	359.470	1.655	20	30		FDEDRO
Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H](C)C(=O)NCC[NH+](C)C	ZINC000568648673	548624690	/nfs/dbraw/zinc/62/46/90/548624690.db2.gz	ZPYNJLIJLQCBJI-GFCCVEGCSA-N	1	0	358.467	1.878	20	30		FDEDRO
N#Cc1ccc2ncc(CN3CCC[C@@H](CNS(=O)(=O)C4CC4)C3)n2c1	ZINC000568697369	548640709	/nfs/dbraw/zinc/64/07/09/548640709.db2.gz	PGFSMGXZFDLYSZ-HNNXBMFYSA-N	1	0	373.482	1.500	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1	ZINC000568944782	548738582	/nfs/dbraw/zinc/73/85/82/548738582.db2.gz	DKMRHBZVNSNADP-AWEZNQCLSA-N	1	0	374.441	1.122	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1	ZINC000569060617	548780758	/nfs/dbraw/zinc/78/07/58/548780758.db2.gz	YESAEVIUIBONQO-UHFFFAOYSA-N	1	0	354.458	1.412	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2	ZINC000569088431	548791839	/nfs/dbraw/zinc/79/18/39/548791839.db2.gz	KMRQWGSTDWQVSN-QGZVFWFLSA-N	1	0	353.470	1.657	20	30		FDEDRO
Cn1cc(CN2CCCN(C(=O)NCc3ccc(C#N)s3)CC2)cn1	ZINC000569210830	548835334	/nfs/dbraw/zinc/83/53/34/548835334.db2.gz	DUYMDGNDLGOQJB-UHFFFAOYSA-N	1	0	358.471	1.771	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1Br	ZINC000569457455	548925828	/nfs/dbraw/zinc/92/58/28/548925828.db2.gz	UUCFGTSLVHFMGO-NWDGAFQWSA-N	1	0	370.272	1.551	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]CCc2cnc3c(Cl)cnn3c2)cc1	ZINC000569687240	549010073	/nfs/dbraw/zinc/01/00/73/549010073.db2.gz	PSRYBLQMFWGHET-OAHLLOKOSA-N	1	0	371.828	1.826	20	30		FDEDRO
C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)NCc2ccc(CC#N)cc2)cc1	ZINC000569927693	549097891	/nfs/dbraw/zinc/09/78/91/549097891.db2.gz	GUAUMRJOINBYMI-CQSZACIVSA-N	1	0	350.422	1.705	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)cc1	ZINC000569960529	549110653	/nfs/dbraw/zinc/11/06/53/549110653.db2.gz	KTBSZMPVBWJQBZ-QGZVFWFLSA-N	1	0	372.446	1.418	20	30		FDEDRO
C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2ccc(C#N)c(Br)c2)C1	ZINC000570117409	549164166	/nfs/dbraw/zinc/16/41/66/549164166.db2.gz	AXDYPVCOMQYMPJ-LLVKDONJSA-N	1	0	372.288	1.941	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000570236840	549207437	/nfs/dbraw/zinc/20/74/37/549207437.db2.gz	JCISNDNKTGCVAR-BGTYHANMSA-N	1	0	351.491	1.645	20	30		FDEDRO
COCC1(CNS(=O)(=O)Cc2ccc(CC#N)cc2)CC[NH2+]CC1	ZINC000570331868	549241602	/nfs/dbraw/zinc/24/16/02/549241602.db2.gz	BMFBWNUACSMJJH-UHFFFAOYSA-N	1	0	351.472	1.188	20	30		FDEDRO
C[C@@H](CNS(=O)(=O)Cc1ccc(CC#N)cc1)CN1CC[NH+](C)CC1	ZINC000570797725	549414603	/nfs/dbraw/zinc/41/46/03/549414603.db2.gz	LKACTHSZMYCNAI-INIZCTEOSA-N	1	0	364.515	1.056	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000570899110	549451573	/nfs/dbraw/zinc/45/15/73/549451573.db2.gz	KNXAAWZUKQOFFB-IKGGRYGDSA-N	1	0	374.510	1.780	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCOc3ccccc32)nc1	ZINC000571073839	549517163	/nfs/dbraw/zinc/51/71/63/549517163.db2.gz	DTAVYDUYQHJYFQ-OAHLLOKOSA-N	1	0	357.435	1.883	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@@H](CO)C1CCOCC1	ZINC000571714807	549741093	/nfs/dbraw/zinc/74/10/93/549741093.db2.gz	XJAWLBLEQXZVLA-KRWDZBQOSA-N	1	0	369.425	1.060	20	30		FDEDRO
C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1	ZINC000571811986	549771224	/nfs/dbraw/zinc/77/12/24/549771224.db2.gz	ACPLPHSKRWMDSD-LJQANCHMSA-N	1	0	367.409	1.934	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cn(C)c2c(cnn2C)c1=O)C(C)C	ZINC000572302847	549886137	/nfs/dbraw/zinc/88/61/37/549886137.db2.gz	RBLKBSKYVHBSPE-KRWDZBQOSA-N	1	0	371.485	1.700	20	30		FDEDRO
C[C@@H](NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)c1ccc(C#N)cc1	ZINC000572498719	549929179	/nfs/dbraw/zinc/92/91/79/549929179.db2.gz	HMZURBFIWIYRKJ-QAPCUYQASA-N	1	0	369.469	1.473	20	30		FDEDRO
CC1(C)C[C@@]1(C#N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1CCCCC1	ZINC000573183708	550081642	/nfs/dbraw/zinc/08/16/42/550081642.db2.gz	MJOBZNISUHTIAF-KXBFYZLASA-N	1	0	357.458	1.826	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000573227424	550092693	/nfs/dbraw/zinc/09/26/93/550092693.db2.gz	KNCGDMLTWCOLRW-IBGZPJMESA-N	1	0	372.513	1.516	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)N1CCC[C@H]2CCCC[C@H]21	ZINC000573348219	550117918	/nfs/dbraw/zinc/11/79/18/550117918.db2.gz	WXJAXEPKBWILIW-RHSMWYFYSA-N	1	0	358.490	1.909	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)c(OC)c1	ZINC000573595999	550173332	/nfs/dbraw/zinc/17/33/32/550173332.db2.gz	JPIHXSXTHOJCRP-RCCFBDPRSA-N	1	0	374.481	1.906	20	30		FDEDRO
N#Cc1cccnc1-n1cc(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cn1	ZINC000573783989	550210047	/nfs/dbraw/zinc/21/00/47/550210047.db2.gz	YOAHFBFEEPTHOV-RRFJBIMHSA-N	1	0	351.414	1.649	20	30		FDEDRO
COc1ccc(C[C@H](CO)C[NH2+]Cc2cnc3c(C#N)cnn3c2)cc1O	ZINC000573802581	550213653	/nfs/dbraw/zinc/21/36/53/550213653.db2.gz	NZXZSOSCHKVUQB-AWEZNQCLSA-N	1	0	367.409	1.256	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1	ZINC000573811375	550215969	/nfs/dbraw/zinc/21/59/69/550215969.db2.gz	OFMNMWRILHMLON-AWEZNQCLSA-N	1	0	351.410	1.769	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)C2=O)cc1	ZINC000574179041	550271418	/nfs/dbraw/zinc/27/14/18/550271418.db2.gz	QEEBLZNSKLZAMI-SOLBZPMBSA-N	1	0	367.453	1.590	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1	ZINC000574739731	550362268	/nfs/dbraw/zinc/36/22/68/550362268.db2.gz	CHIXTDCIJLDUKU-QAPCUYQASA-N	1	0	369.469	1.979	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](C)C[NH+](C)C)cc1	ZINC000574775980	550368308	/nfs/dbraw/zinc/36/83/08/550368308.db2.gz	LJXRIWDOBGTVIS-ZDUSSCGKSA-N	1	0	361.446	1.247	20	30		FDEDRO
CN(C)[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccsc1	ZINC000575215242	550444857	/nfs/dbraw/zinc/44/48/57/550444857.db2.gz	GFSGSPFZFXERAT-HNNXBMFYSA-N	1	0	364.496	1.681	20	30		FDEDRO
N#Cc1c(-n2cccn2)cccc1N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000575762610	550473128	/nfs/dbraw/zinc/47/31/28/550473128.db2.gz	ZRGPUOVQMGFTFX-UHFFFAOYSA-N	1	0	364.453	1.488	20	30		FDEDRO
N#Cc1cccc([N+](=O)[O-])c1CN1C(=O)N[C@@]2(CCCC[C@H]2C[NH3+])C1=O	ZINC000576515821	550557913	/nfs/dbraw/zinc/55/79/13/550557913.db2.gz	WKLBWCMKUHLOPR-YVEFUNNKSA-N	1	0	357.370	1.406	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]CCNC(=O)c2cccs2)cc1	ZINC000576628256	550569688	/nfs/dbraw/zinc/56/96/88/550569688.db2.gz	SMHDCMWRBIYRMX-OAHLLOKOSA-N	1	0	359.451	1.573	20	30		FDEDRO
C=C(C)Cn1c(N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)nnc1C(C)(C)C	ZINC000576705118	550577415	/nfs/dbraw/zinc/57/74/15/550577415.db2.gz	LGAFQQQKDNZRRA-MRXNPFEDSA-N	1	0	374.533	1.942	20	30		FDEDRO
N#Cc1cccc(CC[NH2+]C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)c1	ZINC000577216726	550633442	/nfs/dbraw/zinc/63/34/42/550633442.db2.gz	RYOSQMCFHLLLFG-GOSISDBHSA-N	1	0	364.405	1.568	20	30		FDEDRO
COC(=O)c1ccc(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c(C#N)n1	ZINC000577291210	550641378	/nfs/dbraw/zinc/64/13/78/550641378.db2.gz	CQJKURUUZSRHNL-UHFFFAOYSA-N	1	0	371.485	1.594	20	30		FDEDRO
CC[NH2+]CCCNC(=O)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	ZINC000577607045	550674849	/nfs/dbraw/zinc/67/48/49/550674849.db2.gz	ANYVGZDSGOWZLZ-UHFFFAOYSA-N	1	0	372.469	1.480	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@@](C)(O)C1)C(C)C	ZINC000578148790	550733373	/nfs/dbraw/zinc/73/33/73/550733373.db2.gz	ZELZPUHUKBECDN-VQIMIIECSA-N	1	0	351.491	1.175	20	30		FDEDRO
Cn1ccnc1[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CCO1	ZINC000578316613	550750856	/nfs/dbraw/zinc/75/08/56/550750856.db2.gz	BCMDHWMJSUIVGG-SCTDSRPQSA-N	1	0	370.453	1.736	20	30		FDEDRO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)[C@@H]3COC[C@H]3O)sc2C1	ZINC000578893786	550813194	/nfs/dbraw/zinc/81/31/94/550813194.db2.gz	GDODBFOIOXQAEO-NILFDRSVSA-N	1	0	363.483	1.765	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)n2)c(F)c1	ZINC000579688603	550899543	/nfs/dbraw/zinc/89/95/43/550899543.db2.gz	UJDLTOCCRKOBDH-RRFJBIMHSA-N	1	0	368.416	2.393	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCOC(C)(C)C1)C(C)C	ZINC000579740499	550905692	/nfs/dbraw/zinc/90/56/92/550905692.db2.gz	HDDIJQUYCXYUBI-MRXNPFEDSA-N	1	0	351.491	1.439	20	30		FDEDRO
COC1([C@H](C)[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCOCC1	ZINC000580065136	550939125	/nfs/dbraw/zinc/93/91/25/550939125.db2.gz	LDOJEDZGVUSFLO-AWEZNQCLSA-N	1	0	352.456	1.506	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCc2cnc(C3CC3)nc2)CC1	ZINC000580107930	550944317	/nfs/dbraw/zinc/94/43/17/550944317.db2.gz	BREWKJISTMUQTJ-UHFFFAOYSA-N	1	0	371.485	1.169	20	30		FDEDRO
CO[C@H](CS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C1CC1	ZINC000580189220	550952738	/nfs/dbraw/zinc/95/27/38/550952738.db2.gz	IVLCJDYCPJJGOA-GOSISDBHSA-N	1	0	365.499	1.677	20	30		FDEDRO
N#Cc1ccc(OC2CCC(NC(=O)N3CCCO[C@H](C[NH3+])C3)CC2)nc1	ZINC000580412636	550979227	/nfs/dbraw/zinc/97/92/27/550979227.db2.gz	PQCPULXLTWDQCE-OFLPRAFFSA-N	1	0	373.457	1.402	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)CCS(=O)(=O)c2ccc(C#N)cn2)C[C@H]1C	ZINC000580477749	550986232	/nfs/dbraw/zinc/98/62/32/550986232.db2.gz	CHDJQYSJUNEYLW-GDBMZVCRSA-N	1	0	350.488	1.532	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)CC1	ZINC000580559513	550995100	/nfs/dbraw/zinc/99/51/00/550995100.db2.gz	KHNNJHKAVNGLLU-OTWHNJEPSA-N	1	0	362.518	1.570	20	30		FDEDRO
C[C@H]1COCCN1C1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000580930615	551033658	/nfs/dbraw/zinc/03/36/58/551033658.db2.gz	QSKDFFNUTXVANL-LPHOPBHVSA-N	1	0	359.470	1.483	20	30		FDEDRO
C=C(C)Cn1c(CC(C)C)nnc1N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1	ZINC000581292481	551072602	/nfs/dbraw/zinc/07/26/02/551072602.db2.gz	OZEUBXHVKYLYBU-KRWDZBQOSA-N	1	0	374.533	1.843	20	30		FDEDRO
C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NCc2ccc(CC#N)cc2)C1	ZINC000581547807	551103093	/nfs/dbraw/zinc/10/30/93/551103093.db2.gz	YOQOEMQVEHHCDP-IAGOWNOFSA-N	1	0	370.497	1.853	20	30		FDEDRO
C[C@]1(CNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CCC[NH2+]C1	ZINC000581777463	551134612	/nfs/dbraw/zinc/13/46/12/551134612.db2.gz	KMIRJUVDZSHYLQ-QUCCMNQESA-N	1	0	355.486	1.796	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000582143530	551182205	/nfs/dbraw/zinc/18/22/05/551182205.db2.gz	XBANXTMVEAGJDE-HOTGVXAUSA-N	1	0	351.491	1.417	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1	ZINC000582241395	551195417	/nfs/dbraw/zinc/19/54/17/551195417.db2.gz	PVGUTWMMGGQJKK-WDEREUQCSA-N	1	0	370.272	1.551	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]CCNC(=O)c2ccc(F)cc2)cc1	ZINC000582482232	551230078	/nfs/dbraw/zinc/23/00/78/551230078.db2.gz	XEZSMURSFXBQSA-QGZVFWFLSA-N	1	0	357.385	1.457	20	30		FDEDRO
COc1cc(OC)cc(N2CC[C@@H]([NH2+]C[C@@H](O)CN(C)CCC#N)C2)c1	ZINC000582482293	551230222	/nfs/dbraw/zinc/23/02/22/551230222.db2.gz	YZNTVEMZWAAWCQ-NVXWUHKLSA-N	1	0	362.474	1.078	20	30		FDEDRO
N#Cc1cc(=O)n(CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cn1	ZINC000582665291	551253660	/nfs/dbraw/zinc/25/36/60/551253660.db2.gz	YYVVSIYFAWBLBF-UHFFFAOYSA-N	1	0	371.828	1.113	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)C[C@@H]21	ZINC000582709215	551257679	/nfs/dbraw/zinc/25/76/79/551257679.db2.gz	DHUSJTTWBDUEKY-CJNGLKHVSA-N	1	0	354.389	2.051	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]CCc2cn3ccccc3n2)cc1	ZINC000582720220	551259211	/nfs/dbraw/zinc/25/92/11/551259211.db2.gz	FVXQTIFULIPKEG-SFHVURJKSA-N	1	0	350.422	1.972	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)NCC[C@@H]2CCC[NH2+]C2)n1	ZINC000583012706	551291026	/nfs/dbraw/zinc/29/10/26/551291026.db2.gz	YBINEHQTLYZDSF-ZDUSSCGKSA-N	1	0	356.405	2.394	20	30		FDEDRO
C[C@](O)(C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)CN1CCOCC1	ZINC000583113543	551305329	/nfs/dbraw/zinc/30/53/29/551305329.db2.gz	IXJYDBCGFPANIP-INIZCTEOSA-N	1	0	357.376	1.750	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@H]3CCCC[C@H]3C[NH3+])C2=O)cc1	ZINC000583430492	551350399	/nfs/dbraw/zinc/35/03/99/551350399.db2.gz	BZFQJNPRXVDCEW-BZSNNMDCSA-N	1	0	369.469	1.476	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000583495198	551360793	/nfs/dbraw/zinc/36/07/93/551360793.db2.gz	UOIRXFXWYSZHRI-KZNAEPCWSA-N	1	0	359.470	1.729	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)NC2CCC(N3CC[NH2+]CC3)CC2)cc1	ZINC000583704445	551390625	/nfs/dbraw/zinc/39/06/25/551390625.db2.gz	GTMLVSIIWLDHAQ-UHFFFAOYSA-N	1	0	362.499	1.194	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1	ZINC000583980382	551429485	/nfs/dbraw/zinc/42/94/85/551429485.db2.gz	LPCIOLDWBLQQAB-UHFFFAOYSA-N	1	0	356.470	1.849	20	30		FDEDRO
CC(C)C[C@H](C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)N1CCOCC1	ZINC000584130671	551451845	/nfs/dbraw/zinc/45/18/45/551451845.db2.gz	KXELFUKJFGFUTC-RTBURBONSA-N	1	0	361.486	1.634	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)Cc3c(F)cccc3C#N)CC2)C1=O	ZINC000584347288	551483885	/nfs/dbraw/zinc/48/38/85/551483885.db2.gz	XDWWLQMEHFQSGP-QGZVFWFLSA-N	1	0	358.417	1.051	20	30		FDEDRO
CN(CCC[NH+](C)C)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1	ZINC000584391789	551489831	/nfs/dbraw/zinc/48/98/31/551489831.db2.gz	QPGDMINHVKDWBI-AWEZNQCLSA-N	1	0	362.861	1.975	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)NCC[C@@H]3CCC[NH2+]C3)C2=O)cc1	ZINC000584400180	551490932	/nfs/dbraw/zinc/49/09/32/551490932.db2.gz	GQYURMZUJNGGSF-WMZOPIPTSA-N	1	0	369.469	1.348	20	30		FDEDRO
CC(C)(C)[NH+]1CCC(NCCS(=O)(=O)c2ccc(C#N)cn2)CC1	ZINC000584715221	551534782	/nfs/dbraw/zinc/53/47/82/551534782.db2.gz	MJENKCUZNBUEJE-UHFFFAOYSA-N	1	0	350.488	1.579	20	30		FDEDRO
C=C(C)CN1CCC([NH2+]C[C@H](O)COc2ccc(C(=O)OC)cc2)CC1	ZINC000584834319	551556951	/nfs/dbraw/zinc/55/69/51/551556951.db2.gz	JFEMWGFBIBROAE-SFHVURJKSA-N	1	0	362.470	1.843	20	30		FDEDRO
CC(C)(C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)NS(C)(=O)=O	ZINC000586790864	551619450	/nfs/dbraw/zinc/61/94/50/551619450.db2.gz	VEAQYUBCROQVKC-UHFFFAOYSA-N	1	0	350.488	1.444	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)c1cccc(C#N)c1	ZINC000587663892	551633508	/nfs/dbraw/zinc/63/35/08/551633508.db2.gz	DAOLTLHAPNAIQS-OAHLLOKOSA-N	1	0	372.469	1.041	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(C#N)c1	ZINC000587715706	551634533	/nfs/dbraw/zinc/63/45/33/551634533.db2.gz	FZTCYXIOISPZJS-BZUAXINKSA-N	1	0	372.469	1.351	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1	ZINC000588224555	551660106	/nfs/dbraw/zinc/66/01/06/551660106.db2.gz	LDRLJFQZLNVVPO-QAPCUYQASA-N	1	0	354.454	1.672	20	30		FDEDRO
N#Cc1cccc(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1	ZINC000589430444	551729471	/nfs/dbraw/zinc/72/94/71/551729471.db2.gz	LEROLQZTCJFMPB-UHFFFAOYSA-N	1	0	369.469	1.408	20	30		FDEDRO
COc1cc(CNC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)ccc1C#N	ZINC000589612541	551738132	/nfs/dbraw/zinc/73/81/32/551738132.db2.gz	VNXZHFBDRFTIFJ-QGZVFWFLSA-N	1	0	371.485	1.535	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1	ZINC000589886826	551749524	/nfs/dbraw/zinc/74/95/24/551749524.db2.gz	GRURNCFCHUPREO-KRWDZBQOSA-N	1	0	368.485	1.802	20	30		FDEDRO
C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CCC(=O)N(CCC#N)c2ccccc2)C1	ZINC000590046911	551757951	/nfs/dbraw/zinc/75/79/51/551757951.db2.gz	MQSZYOHZIMSVMZ-WMZOPIPTSA-N	1	0	354.454	1.876	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCc4nn[nH]c43)CC2)cc1	ZINC000590415043	551781694	/nfs/dbraw/zinc/78/16/94/551781694.db2.gz	KDKOJAGZHVLIRU-QGZVFWFLSA-N	1	0	364.453	1.831	20	30		FDEDRO
C[NH+](C)CC(=O)N1CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC1	ZINC000590621614	551799401	/nfs/dbraw/zinc/79/94/01/551799401.db2.gz	ZKRFSEQOSNDRBM-UHFFFAOYSA-N	1	0	369.252	1.711	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1	ZINC000590631877	551800352	/nfs/dbraw/zinc/80/03/52/551800352.db2.gz	CBEGJOAJDQFSCD-ZIAGYGMSSA-N	1	0	360.845	1.775	20	30		FDEDRO
N#Cc1ccc(Oc2ccc(NC(=O)NCCN3CC[NH2+]CC3)cn2)cc1	ZINC000591276897	551855423	/nfs/dbraw/zinc/85/54/23/551855423.db2.gz	CRNYGYUYUGFFAV-UHFFFAOYSA-N	1	0	366.425	1.772	20	30		FDEDRO
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NCC[NH2+]C2CC2)c1C	ZINC000591294703	551857360	/nfs/dbraw/zinc/85/73/60/551857360.db2.gz	KMZRVIGLOYTHEG-UHFFFAOYSA-N	1	0	366.425	1.168	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n1	ZINC000591297456	551857975	/nfs/dbraw/zinc/85/79/75/551857975.db2.gz	CHVIJYXNSLXINO-DUVNUKRYSA-N	1	0	368.416	2.474	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1	ZINC000591308498	551860326	/nfs/dbraw/zinc/86/03/26/551860326.db2.gz	ZHZILXVINRLPRM-IRXDYDNUSA-N	1	0	354.454	1.929	20	30		FDEDRO
N#C[C@@]1(F)CCN(C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)C1	ZINC000591311573	551860635	/nfs/dbraw/zinc/86/06/35/551860635.db2.gz	JYFOZZCXLRZDRG-SFHVURJKSA-N	1	0	361.421	1.440	20	30		FDEDRO
N#Cc1cccc(CNC(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1	ZINC000591340718	551864254	/nfs/dbraw/zinc/86/42/54/551864254.db2.gz	KUWIVBFHJOCDAT-ROUUACIJSA-N	1	0	369.469	1.348	20	30		FDEDRO
C[C@@H](NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)c1cccc(C#N)c1	ZINC000591354518	551865202	/nfs/dbraw/zinc/86/52/02/551865202.db2.gz	NSHHJAUETAUXQW-QAPCUYQASA-N	1	0	369.469	1.473	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(Cn3cncn3)cc2)cc1	ZINC000591723943	551903628	/nfs/dbraw/zinc/90/36/28/551903628.db2.gz	TXBJZZADSCPOEA-IBGZPJMESA-N	1	0	363.421	1.728	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]C1CCN(C(=O)c2ccccc2F)CC1	ZINC000591726082	551903928	/nfs/dbraw/zinc/90/39/28/551903928.db2.gz	JXTLCEDGLUDRLT-MRXNPFEDSA-N	1	0	362.449	1.226	20	30		FDEDRO
COC(=O)c1cccc(CC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)c1	ZINC000591757439	551906476	/nfs/dbraw/zinc/90/64/76/551906476.db2.gz	CHHDIUJGQKTKBF-SFHVURJKSA-N	1	0	354.406	1.917	20	30		FDEDRO
C[C@H](CN(C)Cc1ccccc1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000591758848	551906742	/nfs/dbraw/zinc/90/67/42/551906742.db2.gz	NXWXHYCPDJORPD-MRXNPFEDSA-N	1	0	372.494	1.837	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1	ZINC000591885583	551913248	/nfs/dbraw/zinc/91/32/48/551913248.db2.gz	UYVPIOHEGJAVFJ-RDTXWAMCSA-N	1	0	354.454	1.678	20	30		FDEDRO
N#CC[C@]1(O)CCN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1	ZINC000591908140	551915333	/nfs/dbraw/zinc/91/53/33/551915333.db2.gz	WESAYYVQOAHQMJ-FQEVSTJZSA-N	1	0	356.470	1.754	20	30		FDEDRO
CC[C@@H](CNC(=O)N1CC[C@](O)(CC#N)C1)[N@@H+]1CCc2ccccc2C1	ZINC000591913078	551916095	/nfs/dbraw/zinc/91/60/95/551916095.db2.gz	UGRNXYVTSWYAHE-AZUAARDMSA-N	1	0	356.470	1.883	20	30		FDEDRO
C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[C@@](O)(CC#N)C2)CC1	ZINC000591992410	551924213	/nfs/dbraw/zinc/92/42/13/551924213.db2.gz	LSFCMOQLPFNVBA-BEFAXECRSA-N	1	0	357.458	1.667	20	30		FDEDRO
C[C@H](NC(=O)N1CC[C@@](O)(CC#N)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000592006276	551925730	/nfs/dbraw/zinc/92/57/30/551925730.db2.gz	LKLOPOZVXIIURB-HQRMLTQVSA-N	1	0	356.470	1.957	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1ccc(C#N)cc1Cl)CCO2	ZINC000592102859	551942039	/nfs/dbraw/zinc/94/20/39/551942039.db2.gz	AWCGIBWZQZKVIA-UHFFFAOYSA-N	1	0	369.874	1.697	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1ccc(Cl)c(C#N)c1)CCO2	ZINC000592105113	551942556	/nfs/dbraw/zinc/94/25/56/551942556.db2.gz	YSINNZDENGWBSD-UHFFFAOYSA-N	1	0	369.874	1.697	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)NC3(CC[NH2+]CC3)C2=O)c(Br)c1	ZINC000592165902	551952450	/nfs/dbraw/zinc/95/24/50/551952450.db2.gz	BEIFGEIUMPBLIU-UHFFFAOYSA-N	1	0	363.215	1.495	20	30		FDEDRO
C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C#N)n2)C1	ZINC000592287204	551972514	/nfs/dbraw/zinc/97/25/14/551972514.db2.gz	PBWTVGVJAVQSDB-QGZVFWFLSA-N	1	0	363.421	1.625	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1	ZINC000592341160	551982249	/nfs/dbraw/zinc/98/22/49/551982249.db2.gz	YKNBTAVOUCNMED-UHFFFAOYSA-N	1	0	363.421	1.113	20	30		FDEDRO
C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000592387668	551987409	/nfs/dbraw/zinc/98/74/09/551987409.db2.gz	CURPEIOMBAHQIW-QWRGUYRKSA-N	1	0	365.352	1.898	20	30		FDEDRO
N#Cc1cccnc1-n1cc(NC(=O)N[C@@H]2CC[NH2+]C23CCCC3)cn1	ZINC000592427305	551993876	/nfs/dbraw/zinc/99/38/76/551993876.db2.gz	ZEJBSYGSWXLUHI-OAHLLOKOSA-N	1	0	351.414	1.935	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+])c1ccc(C#N)cc1	ZINC000592442839	551996216	/nfs/dbraw/zinc/99/62/16/551996216.db2.gz	USHMBZKESISIAE-KUHUBIRLSA-N	1	0	362.433	1.820	20	30		FDEDRO
COc1ccc(CN2CN(CC[NH+](C)C)C(=O)[C@@H]2C)cc1OCCCC#N	ZINC000592525212	552004502	/nfs/dbraw/zinc/00/45/02/552004502.db2.gz	LVUADKWUXYQQLD-INIZCTEOSA-N	1	0	374.485	1.930	20	30		FDEDRO
C[C@H](CCO)[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000593108065	552063140	/nfs/dbraw/zinc/06/31/40/552063140.db2.gz	LPLQHPREWUCTJH-QAPCUYQASA-N	1	0	362.449	1.237	20	30		FDEDRO
C[C@@H](CCO)[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000593108066	552063161	/nfs/dbraw/zinc/06/31/61/552063161.db2.gz	LPLQHPREWUCTJH-YJBOKZPZSA-N	1	0	362.449	1.237	20	30		FDEDRO
COC(=O)CCCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593293646	552084232	/nfs/dbraw/zinc/08/42/32/552084232.db2.gz	GOHQCHXTIYIQER-UHFFFAOYSA-N	1	0	358.442	1.775	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cnn4cccnc34)CC2)c1	ZINC000593353954	552094815	/nfs/dbraw/zinc/09/48/15/552094815.db2.gz	HKYKIYCIYSWVNF-UHFFFAOYSA-N	1	0	360.421	1.995	20	30		FDEDRO
C[NH+](C)CCN1CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC1=O	ZINC000593408042	552104299	/nfs/dbraw/zinc/10/42/99/552104299.db2.gz	YPCWQVRCLIWBTF-SFHVURJKSA-N	1	0	371.485	1.837	20	30		FDEDRO
C[C@H]1CC(=O)NCCN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593512779	552120151	/nfs/dbraw/zinc/12/01/51/552120151.db2.gz	SNVUVZCVHCAMBT-HNNXBMFYSA-N	1	0	369.469	1.443	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCn4cncc4C3)CC2)c1	ZINC000593514706	552120695	/nfs/dbraw/zinc/12/06/95/552120695.db2.gz	AAWRFWCSQXMABN-UHFFFAOYSA-N	1	0	364.453	1.945	20	30		FDEDRO
CCCC[N@H+](C)CCNS(=O)(=O)c1ccc(C#N)cc1C(=O)OC	ZINC000593545312	552129072	/nfs/dbraw/zinc/12/90/72/552129072.db2.gz	LWSGRZKIZRCRPN-UHFFFAOYSA-N	1	0	353.444	1.355	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C	ZINC000593551118	552131007	/nfs/dbraw/zinc/13/10/07/552131007.db2.gz	UODJUZIXFIEMME-WFASDCNBSA-N	1	0	365.455	1.306	20	30		FDEDRO
CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)OC)C1	ZINC000593554516	552131726	/nfs/dbraw/zinc/13/17/26/552131726.db2.gz	XSPIYVFGRKYYNF-CQSZACIVSA-N	1	0	365.455	1.307	20	30		FDEDRO
CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2ccsc2C#N)CC1	ZINC000593556165	552132813	/nfs/dbraw/zinc/13/28/13/552132813.db2.gz	IAWHYQFHESBRDX-UHFFFAOYSA-N	1	0	357.501	1.787	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)CC1	ZINC000593585052	552143971	/nfs/dbraw/zinc/14/39/71/552143971.db2.gz	KERIVYVJLAIOGN-CQSZACIVSA-N	1	0	365.455	1.450	20	30		FDEDRO
CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1C(=O)OC	ZINC000593597186	552147222	/nfs/dbraw/zinc/14/72/22/552147222.db2.gz	XBOBFBYVSDQXRG-CYBMUJFWSA-N	1	0	367.471	1.744	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1C	ZINC000593608515	552150835	/nfs/dbraw/zinc/15/08/35/552150835.db2.gz	KJLJOVWBYTXZEB-CYBMUJFWSA-N	1	0	351.428	1.060	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CCCN(C(N)=O)C3)CC2)c1	ZINC000593883495	552216502	/nfs/dbraw/zinc/21/65/02/552216502.db2.gz	PFQHAHBEMBOCCR-QGZVFWFLSA-N	1	0	369.469	1.430	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccoc3CC(N)=O)CC2)c1	ZINC000593885340	552217315	/nfs/dbraw/zinc/21/73/15/552217315.db2.gz	CLKUECZKZJZQHS-UHFFFAOYSA-N	1	0	366.421	1.573	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1	ZINC000593908282	552223475	/nfs/dbraw/zinc/22/34/75/552223475.db2.gz	JUMRAJRWWDEYAV-FUHWJXTLSA-N	1	0	373.453	1.691	20	30		FDEDRO
CN(CC1CC1)C(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593934710	552229376	/nfs/dbraw/zinc/22/93/76/552229376.db2.gz	XICAJUYAHNNCRY-UHFFFAOYSA-N	1	0	354.454	1.507	20	30		FDEDRO
N#Cc1c(NC(=O)CCN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)sc2c1CCCC2	ZINC000594025739	552240820	/nfs/dbraw/zinc/24/08/20/552240820.db2.gz	ULIPLUZYFWMZOL-UONOGXRCSA-N	1	0	374.510	1.578	20	30		FDEDRO
N#Cc1ccc2c(c1)CN(C(=O)NC1CC[NH+]([C@@H]3CCC[C@@H]3O)CC1)C2	ZINC000594231617	552268107	/nfs/dbraw/zinc/26/81/07/552268107.db2.gz	RJBKEYILWCKHOX-MOPGFXCFSA-N	1	0	354.454	1.961	20	30		FDEDRO
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000594256723	552271985	/nfs/dbraw/zinc/27/19/85/552271985.db2.gz	VQELFSQHMACURY-KDURUIRLSA-N	1	0	355.486	1.726	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1	ZINC000594283581	552277255	/nfs/dbraw/zinc/27/72/55/552277255.db2.gz	KSGSALILXJUARI-QZTJIDSGSA-N	1	0	368.485	1.802	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)cc1	ZINC000594337366	552291521	/nfs/dbraw/zinc/29/15/21/552291521.db2.gz	UCPAJZXTCWSONH-KRWDZBQOSA-N	1	0	356.426	1.210	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1	ZINC000594337384	552291549	/nfs/dbraw/zinc/29/15/49/552291549.db2.gz	UCPAJZXTCWSONH-QGZVFWFLSA-N	1	0	356.426	1.210	20	30		FDEDRO
COc1ccc(C(=O)N2CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC2)cc1	ZINC000594425976	552308265	/nfs/dbraw/zinc/30/82/65/552308265.db2.gz	BSJUDMUQXIGNAO-QGZVFWFLSA-N	1	0	358.442	1.391	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O	ZINC000594428396	552308850	/nfs/dbraw/zinc/30/88/50/552308850.db2.gz	NEOLRCYDQGGYAZ-AWEZNQCLSA-N	1	0	363.462	1.159	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N[C@@H](C(N)=O)c1cccc(Br)c1	ZINC000594431090	552308924	/nfs/dbraw/zinc/30/89/24/552308924.db2.gz	HGQFVJLOORBBAY-QWHCGFSZSA-N	1	0	367.247	1.503	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000594432596	552309278	/nfs/dbraw/zinc/30/92/78/552309278.db2.gz	DNDPZRXMCRXNJU-QZTJIDSGSA-N	1	0	356.470	1.748	20	30		FDEDRO
C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)[C@H]([NH3+])CCCCC#N	ZINC000594435702	552309341	/nfs/dbraw/zinc/30/93/41/552309341.db2.gz	IMOWRSZTQFVYQF-IUODEOHRSA-N	1	0	352.460	1.265	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000594432598	552309430	/nfs/dbraw/zinc/30/94/30/552309430.db2.gz	DNDPZRXMCRXNJU-ZWKOTPCHSA-N	1	0	356.470	1.748	20	30		FDEDRO
C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000594438436	552309588	/nfs/dbraw/zinc/30/95/88/552309588.db2.gz	NWDMPAAOHHGAOT-BBRMVZONSA-N	1	0	366.487	1.525	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1	ZINC000594437355	552309677	/nfs/dbraw/zinc/30/96/77/552309677.db2.gz	LNZUGQHFOWZIKA-HZPDHXFCSA-N	1	0	361.421	1.959	20	30		FDEDRO
C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1CN(Cc2ccccc2)CCO1	ZINC000594439039	552310646	/nfs/dbraw/zinc/31/06/46/552310646.db2.gz	NCYNSAUNIFKMPS-YTQUADARSA-N	1	0	358.486	1.803	20	30		FDEDRO
Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)[C@H]([NH3+])CCCCC#N	ZINC000594444135	552311546	/nfs/dbraw/zinc/31/15/46/552311546.db2.gz	LJZROPKPRYYENL-MRXNPFEDSA-N	1	0	358.442	1.817	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1	ZINC000594445103	552311845	/nfs/dbraw/zinc/31/18/45/552311845.db2.gz	PDGUWQIDWRWRFX-MRXNPFEDSA-N	1	0	362.861	1.922	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CCN(CCCc2ccccc2)C1=O	ZINC000594445896	552312292	/nfs/dbraw/zinc/31/22/92/552312292.db2.gz	NBGXROWGDUEXFO-ROUUACIJSA-N	1	0	356.470	1.748	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12	ZINC000594482750	552322584	/nfs/dbraw/zinc/32/25/84/552322584.db2.gz	FEIKMKNIUPSBLQ-HIFRSBDPSA-N	1	0	364.427	1.762	20	30		FDEDRO
N#Cc1ccc2c(c1)CN(C(=O)NC1CCC(N3CC[NH2+]CC3)CC1)C2	ZINC000594536756	552330709	/nfs/dbraw/zinc/33/07/09/552330709.db2.gz	FOMBDCZAYWHUPD-UHFFFAOYSA-N	1	0	353.470	1.800	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(c3cccc(-n4cccn4)c3C#N)CC2)C1	ZINC000594555531	552333817	/nfs/dbraw/zinc/33/38/17/552333817.db2.gz	IPQNSSHWVSCHJB-QGZVFWFLSA-N	1	0	350.470	1.960	20	30		FDEDRO
COc1cc(OC)c2ncc(C#N)c(N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)c2c1	ZINC000594603898	552340023	/nfs/dbraw/zinc/34/00/23/552340023.db2.gz	OPJSEAOEUXQNMQ-UONOGXRCSA-N	1	0	354.410	1.379	20	30		FDEDRO
N#Cc1ccccc1-n1cc(CN2CCC([NH2+]C3CCOCC3)CC2)nn1	ZINC000594651112	552348930	/nfs/dbraw/zinc/34/89/30/552348930.db2.gz	FYLPHONWHXEHCL-UHFFFAOYSA-N	1	0	366.469	1.872	20	30		FDEDRO
CC(C)[N@H+](C)C[C@@H](O)CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000594714996	552362124	/nfs/dbraw/zinc/36/21/24/552362124.db2.gz	WJAGDROVEOGPIL-LJQANCHMSA-N	1	0	358.486	1.910	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1	ZINC000594854168	552409938	/nfs/dbraw/zinc/40/99/38/552409938.db2.gz	FCJNGORJBIQLIP-HNNXBMFYSA-N	1	0	358.508	1.090	20	30		FDEDRO
CO[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)[C@@H]1CCOC1	ZINC000594950131	552425991	/nfs/dbraw/zinc/42/59/91/552425991.db2.gz	JAWGKYNJCQBUGH-AEFFLSMTSA-N	1	0	355.442	2.000	20	30		FDEDRO
Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCO[C@H](C[NH3+])C1	ZINC000595108656	552453458	/nfs/dbraw/zinc/45/34/58/552453458.db2.gz	NRZHIMGDKVMZLV-GFCCVEGCSA-N	1	0	351.453	1.430	20	30		FDEDRO
Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1	ZINC000595108966	552453529	/nfs/dbraw/zinc/45/35/29/552453529.db2.gz	ROWVEHVKYDMKGP-BXUZGUMPSA-N	1	0	365.480	1.818	20	30		FDEDRO
Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCO[C@@H](C[NH3+])C1	ZINC000595108657	552453574	/nfs/dbraw/zinc/45/35/74/552453574.db2.gz	NRZHIMGDKVMZLV-LBPRGKRZSA-N	1	0	351.453	1.430	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)NCC12CC(C1)C[NH2+]2	ZINC000595121277	552457672	/nfs/dbraw/zinc/45/76/72/552457672.db2.gz	MPDOQMBFPTWGHX-UHFFFAOYSA-N	1	0	356.245	1.351	20	30		FDEDRO
C[C@@]1(C#N)CCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1	ZINC000595127291	552460010	/nfs/dbraw/zinc/46/00/10/552460010.db2.gz	JJYUSPHRXDTMRU-FQEVSTJZSA-N	1	0	354.454	1.483	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCc1ccoc1	ZINC000595131702	552461587	/nfs/dbraw/zinc/46/15/87/552461587.db2.gz	SKNCFZZBGMYIAA-UHFFFAOYSA-N	1	0	368.437	1.400	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C1	ZINC000595194051	552485794	/nfs/dbraw/zinc/48/57/94/552485794.db2.gz	HHLYLXINBJVJOR-MRXNPFEDSA-N	1	0	358.442	1.884	20	30		FDEDRO
C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)N3CC[C@@](C)(C#N)C3)cccc21	ZINC000595212524	552492516	/nfs/dbraw/zinc/49/25/16/552492516.db2.gz	LINSEWMQIHWLBO-BEFAXECRSA-N	1	0	356.426	1.772	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CCCCC1	ZINC000595249166	552505104	/nfs/dbraw/zinc/50/51/04/552505104.db2.gz	KFEGRANPMBVCTB-AWEZNQCLSA-N	1	0	355.442	1.426	20	30		FDEDRO
C[C@H](C[NH3+])NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595265904	552507766	/nfs/dbraw/zinc/50/77/66/552507766.db2.gz	WRXKFPFJGPWGKH-CYBMUJFWSA-N	1	0	353.430	1.127	20	30		FDEDRO
C[NH2+]CCCNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595268444	552508737	/nfs/dbraw/zinc/50/87/37/552508737.db2.gz	UGBSDKYFJIBLNG-UHFFFAOYSA-N	1	0	367.457	1.389	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](NC(=O)NCC3([NH3+])CCCC3)C2=O)cc1	ZINC000595274166	552509862	/nfs/dbraw/zinc/50/98/62/552509862.db2.gz	RIRQOTLZIBXAOO-MRXNPFEDSA-N	1	0	355.442	1.230	20	30		FDEDRO
C[NH2+]C[C@H](C)NC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N	ZINC000595275021	552509984	/nfs/dbraw/zinc/50/99/84/552509984.db2.gz	DNTFLFKMHUGDMO-LBPRGKRZSA-N	1	0	373.436	1.305	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)c1	ZINC000595277737	552510802	/nfs/dbraw/zinc/51/08/02/552510802.db2.gz	PKCYJMRWHROHJA-SFHVURJKSA-N	1	0	354.454	1.413	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1	ZINC000595285077	552511798	/nfs/dbraw/zinc/51/17/98/552511798.db2.gz	ZMUZXDHMLQQHRE-JKSUJKDBSA-N	1	0	369.531	1.157	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1Cl	ZINC000595384422	552544150	/nfs/dbraw/zinc/54/41/50/552544150.db2.gz	KUFOHAOTVQUOBX-AWEZNQCLSA-N	1	0	369.874	1.431	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000595403912	552551226	/nfs/dbraw/zinc/55/12/26/552551226.db2.gz	KCDOWHFLSGFAIZ-INIZCTEOSA-N	1	0	351.472	1.598	20	30		FDEDRO
CC(C)C[NH2+]C1(CO)CCN(CC(=O)NCc2cccc(C#N)c2)CC1	ZINC000595512034	552576124	/nfs/dbraw/zinc/57/61/24/552576124.db2.gz	PLGQLSZAAOOUKM-UHFFFAOYSA-N	1	0	358.486	1.247	20	30		FDEDRO
COc1ccc(CN2CCN(C(=O)CN3CCC[C@H](CC#N)C3)CC2)cc1	ZINC000595621464	552593996	/nfs/dbraw/zinc/59/39/96/552593996.db2.gz	VEOYLBDEWQXOIB-GOSISDBHSA-N	1	0	370.497	1.965	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CCN(c3cnccc3C#N)CC2)C1	ZINC000595704877	552604966	/nfs/dbraw/zinc/60/49/66/552604966.db2.gz	RJOUVRISAIOIBU-MRXNPFEDSA-N	1	0	356.474	1.658	20	30		FDEDRO
CCN(C)C(=O)CC[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595725658	552607155	/nfs/dbraw/zinc/60/71/55/552607155.db2.gz	GSLBYCGHSYLRNX-UHFFFAOYSA-N	1	0	366.469	1.939	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@@H]4NC(=O)CC[C@H]4C3)C2=O)cc1	ZINC000595728138	552607343	/nfs/dbraw/zinc/60/73/43/552607343.db2.gz	JWAMALKEVAGSCI-SZMVWBNQSA-N	1	0	352.438	1.654	20	30		FDEDRO
CC(C)NC(=O)[C@@H]1CCCN(CCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000595851791	552623469	/nfs/dbraw/zinc/62/34/69/552623469.db2.gz	SKVGCNMDOKGXKD-MRXNPFEDSA-N	1	0	363.483	1.569	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(C[C@H](O)COc2ccc(CC#N)cc2)CCO1	ZINC000595904526	552631430	/nfs/dbraw/zinc/63/14/30/552631430.db2.gz	FDSKITWAAKOAIV-ICSRJNTNSA-N	1	0	361.486	1.535	20	30		FDEDRO
COCC1([NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CCCCC1	ZINC000595907590	552631697	/nfs/dbraw/zinc/63/16/97/552631697.db2.gz	BLUKWCAPJROYHR-KRWDZBQOSA-N	1	0	350.507	1.618	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])CCC[NH2+]1	ZINC000595923017	552633807	/nfs/dbraw/zinc/63/38/07/552633807.db2.gz	OJDTZISERABVCP-SFHVURJKSA-N	1	0	363.414	1.969	20	30		FDEDRO
CCO[C@H]1C[C@]([NH3+])(C(=O)N2CCN(c3ccsc3C#N)CC2)C1(C)C	ZINC000595936518	552635517	/nfs/dbraw/zinc/63/55/17/552635517.db2.gz	BARZKLUKWDJYML-YJBOKZPZSA-N	1	0	362.499	1.801	20	30		FDEDRO
CC1(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C[NH2+]C1	ZINC000595972832	552640574	/nfs/dbraw/zinc/64/05/74/552640574.db2.gz	YJYXBNQDXXSEOD-UHFFFAOYSA-N	1	0	350.426	1.206	20	30		FDEDRO
N#Cc1cccc(C(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c1	ZINC000595984849	552641174	/nfs/dbraw/zinc/64/11/74/552641174.db2.gz	DGUSKYMDKQACBQ-QGZVFWFLSA-N	1	0	364.453	1.711	20	30		FDEDRO
N#Cc1cnnc(N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)c1	ZINC000596097344	552654885	/nfs/dbraw/zinc/65/48/85/552654885.db2.gz	IHCYGYLOTXJCKF-UHFFFAOYSA-N	1	0	356.474	1.557	20	30		FDEDRO
CCc1nc(C#N)cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)n1	ZINC000596135754	552659017	/nfs/dbraw/zinc/65/90/17/552659017.db2.gz	LGTVRCGFARMIKV-SJLPKXTDSA-N	1	0	351.454	2.206	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CC[C@@](C)(C#N)C2)CC1	ZINC000596468379	552681861	/nfs/dbraw/zinc/68/18/61/552681861.db2.gz	FQHBTPZMQDNISF-IBGZPJMESA-N	1	0	363.506	1.558	20	30		FDEDRO
CC(C)C[C@H](NC(=O)NCCc1ccc(C#N)cc1)C(=O)NCC[NH+](C)C	ZINC000596674366	552700054	/nfs/dbraw/zinc/70/00/54/552700054.db2.gz	ZKKCXGZEFXXNFG-SFHVURJKSA-N	1	0	373.501	1.492	20	30		FDEDRO
C[C@@H]1CN(CCNC(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@@H](C)CO1	ZINC000596840577	552716741	/nfs/dbraw/zinc/71/67/41/552716741.db2.gz	SXMVJMZXYSOIOE-UONOGXRCSA-N	1	0	369.429	1.370	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1	ZINC000596879550	552720668	/nfs/dbraw/zinc/72/06/68/552720668.db2.gz	BZMWKTDLKPTEIX-RBUKOAKNSA-N	1	0	355.486	1.890	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCc2nn[nH]c21	ZINC000596972905	552730317	/nfs/dbraw/zinc/73/03/17/552730317.db2.gz	FZNVUKJEINDIDY-MRXNPFEDSA-N	1	0	352.442	1.687	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CN1CCN(C2CC2)C1=O	ZINC000596973897	552730454	/nfs/dbraw/zinc/73/04/54/552730454.db2.gz	MIWBVIJTORYZTB-UHFFFAOYSA-N	1	0	369.469	1.348	20	30		FDEDRO
C[NH+](C)CCCN(C(=O)CC1(C#N)CCCCC1)[C@@H]1CCS(=O)(=O)C1	ZINC000597361458	552779671	/nfs/dbraw/zinc/77/96/71/552779671.db2.gz	QTPCANPXUBHSOB-MRXNPFEDSA-N	1	0	369.531	1.818	20	30		FDEDRO
N#CCC(=O)N1CCN(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1	ZINC000597387168	552782827	/nfs/dbraw/zinc/78/28/27/552782827.db2.gz	SNXHJLYTDLDYLJ-SFHVURJKSA-N	1	0	354.454	1.450	20	30		FDEDRO
C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCC2(C#N)CCCCC2)C[C@@H](C)O1	ZINC000597401490	552784448	/nfs/dbraw/zinc/78/44/48/552784448.db2.gz	TXEALDPIZUPHEY-HZPDHXFCSA-N	1	0	364.490	1.192	20	30		FDEDRO
N#CC1(CNC(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC1	ZINC000597433470	552788823	/nfs/dbraw/zinc/78/88/23/552788823.db2.gz	NADMESMNACNJLZ-CQSZACIVSA-N	1	0	357.462	1.012	20	30		FDEDRO
C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C1	ZINC000597575444	552807157	/nfs/dbraw/zinc/80/71/57/552807157.db2.gz	XRSLQXRJBUGEAL-LJQANCHMSA-N	1	0	354.410	1.742	20	30		FDEDRO
CC(C)C[C@H](NC(=O)c1ccnc(C#N)c1)C(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000597692539	552822629	/nfs/dbraw/zinc/82/26/29/552822629.db2.gz	PSWFIYSTFSZXOK-IRXDYDNUSA-N	1	0	357.458	1.260	20	30		FDEDRO
CCN(C(=O)CCc1c(C)nc2c(C#N)cnn2c1C)[C@H]1CC[N@H+](C)C1	ZINC000597945013	552848935	/nfs/dbraw/zinc/84/89/35/552848935.db2.gz	GLJJAHWIGVYWTD-INIZCTEOSA-N	1	0	354.458	1.703	20	30		FDEDRO
CC(C)[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC[NH2+]1	ZINC000598575641	552910776	/nfs/dbraw/zinc/91/07/76/552910776.db2.gz	VJSKXYXRTRYPIL-KRWDZBQOSA-N	1	0	363.483	1.834	20	30		FDEDRO
C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]C[C@H](O)CC(C)(C)C#N	ZINC000598727348	552928592	/nfs/dbraw/zinc/92/85/92/552928592.db2.gz	HBEOJJBFYDSRQF-HUUCEWRRSA-N	1	0	353.488	1.634	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H](CNC(=O)N2CCN(c3ncccc3C#N)CC2)C1	ZINC000599160808	552977084	/nfs/dbraw/zinc/97/70/84/552977084.db2.gz	OMFDWHXFHIAOTE-INIZCTEOSA-N	1	0	356.474	1.517	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH+]2CCC(NC(=O)c3ccccc3)CC2)CCOCC1	ZINC000599260377	553006808	/nfs/dbraw/zinc/00/68/08/553006808.db2.gz	ZLAPUKFLCOOXSZ-LJQANCHMSA-N	1	0	371.481	1.952	20	30		FDEDRO
COC(=O)CC1CC[NH+](CC#CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000599270984	553010061	/nfs/dbraw/zinc/01/00/61/553010061.db2.gz	SEFUYFRLDCMVHA-UHFFFAOYSA-N	1	0	354.406	1.561	20	30		FDEDRO
CC(C)C(=O)NC[C@H]1CCC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000599280234	553013767	/nfs/dbraw/zinc/01/37/67/553013767.db2.gz	ZPAIHITVMHHKKD-SJORKVTESA-N	1	0	351.491	1.542	20	30		FDEDRO
CCOc1cccc(N2CC[NH+](C[C@@H](O)CC3(C#N)CCOCC3)CC2)n1	ZINC000599297191	553018663	/nfs/dbraw/zinc/01/86/63/553018663.db2.gz	SZFNVXSMFJSRGF-KRWDZBQOSA-N	1	0	374.485	1.674	20	30		FDEDRO
C[N@H+](C[C@H](O)COc1ccccc1C#N)CC(C)(C)CN1CCOCC1	ZINC000599336515	553030880	/nfs/dbraw/zinc/03/08/80/553030880.db2.gz	OKCVGBNIVBNBAK-SFHVURJKSA-N	1	0	361.486	1.588	20	30		FDEDRO
CCOC(=O)C1(COC)CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1	ZINC000599390815	553043481	/nfs/dbraw/zinc/04/34/81/553043481.db2.gz	QXJYJBJHTACNEN-MRXNPFEDSA-N	1	0	368.474	1.349	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CC[N@@H+](C[C@@H](O)CC3(C#N)CCOCC3)C2)nc1	ZINC000599427561	553054616	/nfs/dbraw/zinc/05/46/16/553054616.db2.gz	CQNUFAWNVOKZRA-IRXDYDNUSA-N	1	0	356.426	1.478	20	30		FDEDRO
C[NH2+]CCOCCNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1	ZINC000599604218	553101005	/nfs/dbraw/zinc/10/10/05/553101005.db2.gz	MIXBQFICHIWYOF-UHFFFAOYSA-N	1	0	362.821	1.755	20	30		FDEDRO
C[N@@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C[C@H]1C[C@@H](O)C1	ZINC000599656498	553114708	/nfs/dbraw/zinc/11/47/08/553114708.db2.gz	WESNUTFZBBHFCU-AYOQOUSVSA-N	1	0	374.460	1.237	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)CC1	ZINC000599685482	553121607	/nfs/dbraw/zinc/12/16/07/553121607.db2.gz	YMYRIVYLJQNDOV-WFXMFSGNSA-N	1	0	374.510	1.302	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1	ZINC000599732961	553133412	/nfs/dbraw/zinc/13/34/12/553133412.db2.gz	QSPJJBQLYJGORH-DLBZAZTESA-N	1	0	366.469	1.600	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC(=O)N1	ZINC000599751814	553137881	/nfs/dbraw/zinc/13/78/81/553137881.db2.gz	PCZYUZYATGMMAE-WBVHZDCISA-N	1	0	354.454	1.576	20	30		FDEDRO
N#Cc1cc(NC(=O)NCC[N@H+]2CC[C@@H](O)C2)ccc1OC(F)(F)F	ZINC000599789986	553148296	/nfs/dbraw/zinc/14/82/96/553148296.db2.gz	NXUXOEUNOLDCNX-GFCCVEGCSA-N	1	0	358.320	1.645	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N(C)[C@H]3CC[N@@H+](C4CC4)C3)cc2C1=O	ZINC000599866330	553162856	/nfs/dbraw/zinc/16/28/56/553162856.db2.gz	XIFFSKQWGUAVLL-HNNXBMFYSA-N	1	0	353.422	1.777	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2	ZINC000599867513	553163485	/nfs/dbraw/zinc/16/34/85/553163485.db2.gz	KSBGWZDMCLPMEJ-UHFFFAOYSA-N	1	0	364.405	1.637	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)cc1C#N	ZINC000599890987	553168866	/nfs/dbraw/zinc/16/88/66/553168866.db2.gz	JENBLMPKSJIMRI-INIZCTEOSA-N	1	0	356.426	1.685	20	30		FDEDRO
CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000599897725	553170668	/nfs/dbraw/zinc/17/06/68/553170668.db2.gz	UVEWBFZFLFFHCH-QWHCGFSZSA-N	1	0	354.332	1.772	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1	ZINC000599900965	553171306	/nfs/dbraw/zinc/17/13/06/553171306.db2.gz	VFUPNGQIVUEYLG-WCQYABFASA-N	1	0	354.332	1.482	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1C#N	ZINC000599903336	553171595	/nfs/dbraw/zinc/17/15/95/553171595.db2.gz	AILSGVKSDMRELP-INIZCTEOSA-N	1	0	370.453	1.422	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(OC)c(C#N)cc2F)CC1	ZINC000599953096	553183817	/nfs/dbraw/zinc/18/38/17/553183817.db2.gz	ZROLFNALCWLHSM-UHFFFAOYSA-N	1	0	362.405	1.635	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c(F)cc1C#N	ZINC000599971664	553189366	/nfs/dbraw/zinc/18/93/66/553189366.db2.gz	NBPZWZHXKLUYDC-LBPRGKRZSA-N	1	0	362.405	1.445	20	30		FDEDRO
C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)C[C@H]21	ZINC000599999788	553197391	/nfs/dbraw/zinc/19/73/91/553197391.db2.gz	IEOVEWIEGHGFRC-YRWFTTLQSA-N	1	0	354.454	1.732	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)CCOCC1	ZINC000600715523	553306179	/nfs/dbraw/zinc/30/61/79/553306179.db2.gz	SRFLCOGUNBIUCY-WOJBJXKFSA-N	1	0	373.497	1.548	20	30		FDEDRO
Cc1ccc(C(=O)NCC[NH2+]C[C@H](O)CC2(C#N)CCOCC2)cc1F	ZINC000600717977	553306622	/nfs/dbraw/zinc/30/66/22/553306622.db2.gz	OSUSEPBNURRKFB-MRXNPFEDSA-N	1	0	363.433	1.525	20	30		FDEDRO
COC(=O)c1ccc(CC[NH2+]C[C@H](O)COc2ccccc2C#N)cc1	ZINC000600717852	553306814	/nfs/dbraw/zinc/30/68/14/553306814.db2.gz	OHCATPSRWZWHHS-SFHVURJKSA-N	1	0	354.406	1.917	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]CCCN(C(=O)C2CCC2)C2CC2)CCOCC1	ZINC000600722431	553307250	/nfs/dbraw/zinc/30/72/50/553307250.db2.gz	PRTRTPIHDQCGLD-SFHVURJKSA-N	1	0	363.502	1.829	20	30		FDEDRO
COC(=O)c1ccsc1N1CC[C@@H]([NH2+]C[C@H](O)CC2(C#N)CC2)C1=O	ZINC000600731651	553308930	/nfs/dbraw/zinc/30/89/30/553308930.db2.gz	XMXJAAJOZCRASG-DGCLKSJQSA-N	1	0	363.439	1.284	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)CCOCC1	ZINC000600740769	553309786	/nfs/dbraw/zinc/30/97/86/553309786.db2.gz	BDECEKQESUGYAM-JKSUJKDBSA-N	1	0	368.424	1.777	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@H](n2cccn2)C(F)(F)F)c1	ZINC000600746817	553310558	/nfs/dbraw/zinc/31/05/58/553310558.db2.gz	MROVZLMEVMXMTQ-AWEZNQCLSA-N	1	0	372.372	1.922	20	30		FDEDRO
Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1	ZINC000600747535	553310729	/nfs/dbraw/zinc/31/07/29/553310729.db2.gz	POPBBCZJCUTWDL-GFCCVEGCSA-N	1	0	354.332	1.840	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@@H]([C@H]2CCCO2)C2(CO)CCC2)CCOCC1	ZINC000600749816	553310862	/nfs/dbraw/zinc/31/08/62/553310862.db2.gz	RZPBJIUANVNWBI-BBWFWOEESA-N	1	0	352.475	1.358	20	30		FDEDRO
N#Cc1cccc(OCc2cccc(C(=O)NCC[N@H+]3CC[C@H](O)C3)c2)c1	ZINC000600808321	553317385	/nfs/dbraw/zinc/31/73/85/553317385.db2.gz	LHSHXEIKZYHKNM-IBGZPJMESA-N	1	0	365.433	1.934	20	30		FDEDRO
C[NH2+]C1(CNC(=O)COc2cccc(Br)c2C#N)CCC1	ZINC000600825422	553319324	/nfs/dbraw/zinc/31/93/24/553319324.db2.gz	HDHJYIPJODTOOE-UHFFFAOYSA-N	1	0	352.232	1.958	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(c3ccccc3S(N)(=O)=O)CC2)cc1	ZINC000601100417	553347618	/nfs/dbraw/zinc/34/76/18/553347618.db2.gz	CBHPRUIOQSPHSU-UHFFFAOYSA-N	1	0	370.478	1.918	20	30		FDEDRO
C[NH+](C)CCCS(=O)(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000601295762	553370953	/nfs/dbraw/zinc/37/09/53/553370953.db2.gz	FVHGVSAHLZWWRX-UHFFFAOYSA-N	1	0	364.515	1.347	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1c[nH]c(=O)s1	ZINC000601307481	553373061	/nfs/dbraw/zinc/37/30/61/553373061.db2.gz	ATGPNZQBIKUKLG-UHFFFAOYSA-N	1	0	366.468	1.473	20	30		FDEDRO
COC1(CS(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)CCC1	ZINC000601320897	553375619	/nfs/dbraw/zinc/37/56/19/553375619.db2.gz	GHYIUKUGSGWPTB-UHFFFAOYSA-N	1	0	365.499	1.821	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2c(C)cc(F)cc2C#N)C[C@@H]1[NH+](C)C	ZINC000601380409	553389835	/nfs/dbraw/zinc/38/98/35/553389835.db2.gz	LYXRGTOKCZHOHE-KBPBESRZSA-N	1	0	357.476	1.672	20	30		FDEDRO
N#CC1(c2ccccn2)CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1	ZINC000601410808	553397923	/nfs/dbraw/zinc/39/79/23/553397923.db2.gz	SCKYCBYSNNSHJG-UHFFFAOYSA-N	1	0	362.499	1.754	20	30		FDEDRO
Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)[C@H]1CCC[C@H]1C#N	ZINC000601507561	553423849	/nfs/dbraw/zinc/42/38/49/553423849.db2.gz	DGTZBUSWTVPDJI-GJZGRUSLSA-N	1	0	353.492	1.374	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1	ZINC000601523597	553428132	/nfs/dbraw/zinc/42/81/32/553428132.db2.gz	PYAICZGSDRSFEP-SJLPKXTDSA-N	1	0	364.515	1.885	20	30		FDEDRO
Cc1cccc(C[N@H+]2CC[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C2)c1	ZINC000601525100	553428792	/nfs/dbraw/zinc/42/87/92/553428792.db2.gz	XIUNAAUQJXDLSD-NVXWUHKLSA-N	1	0	350.488	1.495	20	30		FDEDRO
N#CCCN1CCN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1	ZINC000601556699	553435172	/nfs/dbraw/zinc/43/51/72/553435172.db2.gz	VIEQATXDUOQLDM-UHFFFAOYSA-N	1	0	356.474	1.287	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCN(CCC#N)CC2)[C@H](C)C1	ZINC000601575804	553438548	/nfs/dbraw/zinc/43/85/48/553438548.db2.gz	JYVXEYXWKXAQMB-MSOLQXFVSA-N	1	0	365.522	1.364	20	30		FDEDRO
C[NH+](C)Cc1cccc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c1	ZINC000601742033	553467291	/nfs/dbraw/zinc/46/72/91/553467291.db2.gz	PAOIGVUUPLYMSQ-UHFFFAOYSA-N	1	0	354.414	1.432	20	30		FDEDRO
CCC[NH+](CCC)CCCC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N	ZINC000601742690	553467662	/nfs/dbraw/zinc/46/76/62/553467662.db2.gz	XYXRXQPUVURNFK-UHFFFAOYSA-N	1	0	362.478	1.959	20	30		FDEDRO
N#Cc1cc(F)cc(NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)c1	ZINC000602023947	553502776	/nfs/dbraw/zinc/50/27/76/553502776.db2.gz	NRWUUQLCYIRXLN-UHFFFAOYSA-N	1	0	374.416	1.397	20	30		FDEDRO
C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2cc(F)cc(C#N)c2)C1	ZINC000602027156	553503675	/nfs/dbraw/zinc/50/36/75/553503675.db2.gz	OVEKUEZHRRYRRD-CQSZACIVSA-N	1	0	358.417	1.826	20	30		FDEDRO
C[C@H](C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)[NH+](C)C	ZINC000602056645	553510072	/nfs/dbraw/zinc/51/00/72/553510072.db2.gz	BYDZFONHWFAXOZ-GFCCVEGCSA-N	1	0	358.421	1.464	20	30		FDEDRO
CN(C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCC[C@@H]1C#N	ZINC000602078324	553515023	/nfs/dbraw/zinc/51/50/23/553515023.db2.gz	WBJKMZUKRFBECJ-RHSMWYFYSA-N	1	0	358.442	1.716	20	30		FDEDRO
C[N@H+](CCc1ccccc1)CC(=O)N1CCN(c2cccc(C#N)n2)CC1	ZINC000602138694	553526287	/nfs/dbraw/zinc/52/62/87/553526287.db2.gz	XEYNGFAPVKWJFB-UHFFFAOYSA-N	1	0	363.465	1.776	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)[C@H]3CC[N@@H+]3C3CCCC3)CC2)c1C#N	ZINC000602145543	553527949	/nfs/dbraw/zinc/52/79/49/553527949.db2.gz	YQHAFPHHLBBERO-QGZVFWFLSA-N	1	0	356.474	1.266	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)[C@@H]3CC[N@@H+]3C3CCCC3)CC2)c1C#N	ZINC000602151711	553529614	/nfs/dbraw/zinc/52/96/14/553529614.db2.gz	BJOBLIDKFAAAIC-INIZCTEOSA-N	1	0	359.499	1.989	20	30		FDEDRO
N#CC[C@]1(O)CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)C1	ZINC000602169396	553532708	/nfs/dbraw/zinc/53/27/08/553532708.db2.gz	YKZRIZUFAGNMAO-NRSPTQNISA-N	1	0	369.465	1.402	20	30		FDEDRO
C=C(C)C[C@@H](NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1)C(=O)OC	ZINC000602195858	553537773	/nfs/dbraw/zinc/53/77/73/553537773.db2.gz	LWAHZBXAYKISHS-OAHLLOKOSA-N	1	0	374.441	1.541	20	30		FDEDRO
CN(C[C@H]1C[C@@H](O)C1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000602336241	553565574	/nfs/dbraw/zinc/56/55/74/553565574.db2.gz	XBRKGNCHXNJKIA-IZAXUBKRSA-N	1	0	356.470	1.935	20	30		FDEDRO
COc1cccc(C[C@@H]([NH3+])C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1	ZINC000602422013	553578999	/nfs/dbraw/zinc/57/89/99/553578999.db2.gz	RZZRFVYOIRUADD-GOSISDBHSA-N	1	0	365.437	1.180	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1	ZINC000602538971	553602329	/nfs/dbraw/zinc/60/23/29/553602329.db2.gz	NUNADFFIRZYXMT-CVEARBPZSA-N	1	0	350.850	1.683	20	30		FDEDRO
CN(C(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F)[C@H]1CCC[C@H]1C#N	ZINC000602603523	553610977	/nfs/dbraw/zinc/61/09/77/553610977.db2.gz	UBUZALQACQDENI-JQWIXIFHSA-N	1	0	352.389	1.904	20	30		FDEDRO
CC(=O)Nc1ccc(OC[C@H](O)C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)cc1	ZINC000602858563	553652835	/nfs/dbraw/zinc/65/28/35/553652835.db2.gz	SYEMIODHSXMHPP-RLFYNMQTSA-N	1	0	360.458	1.303	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@@](O)(C[NH+](C)C)C1	ZINC000602891140	553661661	/nfs/dbraw/zinc/66/16/61/553661661.db2.gz	LAAMJHREUVDKNC-SCLBCKFNSA-N	1	0	364.877	1.927	20	30		FDEDRO
C[C@]12C[NH+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C[C@]1(C)C(=O)NC2=O	ZINC000602937087	553673831	/nfs/dbraw/zinc/67/38/31/553673831.db2.gz	PXAQTNIAXHHORJ-CWFSZBLJSA-N	1	0	366.421	1.038	20	30		FDEDRO
N#Cc1ccc(Oc2ccc(C(=O)N[C@H](CO)C[NH+]3CCCC3)cc2)nc1	ZINC000603051298	553701263	/nfs/dbraw/zinc/70/12/63/553701263.db2.gz	AKWYXCXSWSUWPL-KRWDZBQOSA-N	1	0	366.421	1.932	20	30		FDEDRO
Cc1cc(NC(=O)NCc2cccnc2N2CC[NH+](C)CC2)ncc1C#N	ZINC000603117267	553711888	/nfs/dbraw/zinc/71/18/88/553711888.db2.gz	PATMEVLTSXGYRB-UHFFFAOYSA-N	1	0	365.441	1.730	20	30		FDEDRO
N#CCCN(C(=O)Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1)c1ccccc1	ZINC000603166637	553719993	/nfs/dbraw/zinc/71/99/93/553719993.db2.gz	QFQAGDNIMIQSMA-INIZCTEOSA-N	1	0	352.442	1.767	20	30		FDEDRO
C[C@H](C(=O)Nc1ccccc1C#N)n1cc(CN2CC[NH+](C)CC2)nn1	ZINC000603182011	553724448	/nfs/dbraw/zinc/72/44/48/553724448.db2.gz	ZUMNMGZQXBJWIX-CQSZACIVSA-N	1	0	353.430	1.097	20	30		FDEDRO
COCC[NH2+]Cc1ccn(Cc2cn([C@H](C)c3ccc(C#N)cc3)nn2)n1	ZINC000603227646	553736546	/nfs/dbraw/zinc/73/65/46/553736546.db2.gz	MVAGMCOAPAMFDB-OAHLLOKOSA-N	1	0	365.441	1.740	20	30		FDEDRO
N#Cc1cccc(CNC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)c1	ZINC000603435210	553788084	/nfs/dbraw/zinc/78/80/84/553788084.db2.gz	TXGQMQYILJOJGH-IBGZPJMESA-N	1	0	371.485	1.154	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCC2)cc1	ZINC000606010057	554034928	/nfs/dbraw/zinc/03/49/28/554034928.db2.gz	BTRGZEGYNWWFOE-AWEZNQCLSA-N	1	0	373.457	1.533	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC000608866997	554326241	/nfs/dbraw/zinc/32/62/41/554326241.db2.gz	GIQHMDPSMLPTBD-HOCLYGCPSA-N	1	0	358.442	1.029	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)CC2)nc1	ZINC000609920221	554438005	/nfs/dbraw/zinc/43/80/05/554438005.db2.gz	BHMKKQUGRNNCQU-KRWDZBQOSA-N	1	0	354.458	1.269	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(Nc2c(C#N)nnc3ccccc32)CC1	ZINC000610130532	554465147	/nfs/dbraw/zinc/46/51/47/554465147.db2.gz	QHORKHQSCMFDNP-UHFFFAOYSA-N	1	0	352.442	1.856	20	30		FDEDRO
C[C@@H](C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)[NH+](C)C	ZINC000610541551	554526070	/nfs/dbraw/zinc/52/60/70/554526070.db2.gz	BYDZFONHWFAXOZ-LBPRGKRZSA-N	1	0	358.421	1.464	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC[NH+]1CCC(OC)CC1	ZINC000610572659	554531998	/nfs/dbraw/zinc/53/19/98/554531998.db2.gz	KMFXWZMAIXNHDT-UHFFFAOYSA-N	1	0	374.441	1.122	20	30		FDEDRO
CN1CCC[C@@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1	ZINC000610657940	554545268	/nfs/dbraw/zinc/54/52/68/554545268.db2.gz	GFJOHJMXODMWOJ-GFCCVEGCSA-N	1	0	358.261	1.693	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1	ZINC000610913139	554580032	/nfs/dbraw/zinc/58/00/32/554580032.db2.gz	BEEQTVSBCLOAPV-WOJBJXKFSA-N	1	0	368.481	1.897	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000610995518	554592261	/nfs/dbraw/zinc/59/22/61/554592261.db2.gz	SEXCHINVRWYLRV-UKAVVXHISA-N	1	0	373.497	1.676	20	30		FDEDRO
CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000611025509	554596913	/nfs/dbraw/zinc/59/69/13/554596913.db2.gz	SCSZZYQJNZIZDQ-LBPRGKRZSA-N	1	0	352.416	1.619	20	30		FDEDRO
Cn1cc(-c2nc(C[N@H+](C)CCCc3[nH]nc(N)c3C#N)cs2)cn1	ZINC000611172546	554611845	/nfs/dbraw/zinc/61/18/45/554611845.db2.gz	CYTVHIWZWIRKQO-UHFFFAOYSA-N	1	0	356.459	1.785	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]2C(=O)NCCCC[N@H+]2CCC[C@H]2CO)cc1	ZINC000611197034	554614590	/nfs/dbraw/zinc/61/45/90/554614590.db2.gz	VHGRXENTPOPZIT-PMACEKPBSA-N	1	0	370.497	1.880	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000611222775	554616851	/nfs/dbraw/zinc/61/68/51/554616851.db2.gz	DQUJMGXGKFIQML-ZKYQVNSYSA-N	1	0	360.483	1.940	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000611265692	554620798	/nfs/dbraw/zinc/62/07/98/554620798.db2.gz	RVIHDAGZVPFQMT-ZLPCBKJTSA-N	1	0	372.469	1.728	20	30		FDEDRO
CCOC(=O)c1cnn(C)c1NC(=O)C[NH2+][C@H](C)c1cccc(C#N)c1	ZINC000611387597	554630561	/nfs/dbraw/zinc/63/05/61/554630561.db2.gz	QHTOXHJPKNMASJ-GFCCVEGCSA-N	1	0	355.398	1.758	20	30		FDEDRO
C[N@@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C[C@H](O)C1CC1	ZINC000611430253	554632770	/nfs/dbraw/zinc/63/27/70/554632770.db2.gz	VDFFGPXGWQXYTK-CVEARBPZSA-N	1	0	362.499	1.160	20	30		FDEDRO
CCn1nc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccc1=O	ZINC000611498533	554638225	/nfs/dbraw/zinc/63/82/25/554638225.db2.gz	FTMNXSXVBGMKHE-UHFFFAOYSA-N	1	0	365.437	1.551	20	30		FDEDRO
Cn1cc(C[NH+]2CCC(NS(C)(=O)=O)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000611517999	554641066	/nfs/dbraw/zinc/64/10/66/554641066.db2.gz	DSRNQWQISBITPR-UHFFFAOYSA-N	1	0	373.482	1.472	20	30		FDEDRO
CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]C2CCN(CC#N)CC2)CC1	ZINC000611967409	554710418	/nfs/dbraw/zinc/71/04/18/554710418.db2.gz	JHOMTLOYKOSGAE-HNNXBMFYSA-N	1	0	364.490	1.144	20	30		FDEDRO
C[C@@]1(C#N)CCCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1	ZINC000612159504	554743813	/nfs/dbraw/zinc/74/38/13/554743813.db2.gz	CGABCMDQIMCDPG-IBGZPJMESA-N	1	0	362.518	1.763	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1	ZINC000612598957	554813148	/nfs/dbraw/zinc/81/31/48/554813148.db2.gz	MIVSNVNZRHEMGC-KRWDZBQOSA-N	1	0	351.491	1.561	20	30		FDEDRO
CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1	ZINC000613164475	554895019	/nfs/dbraw/zinc/89/50/19/554895019.db2.gz	PQOGHEGGNJCOKU-DOMZBBRYSA-N	1	0	353.430	1.909	20	30		FDEDRO
CC1(C)CN(CC(=O)Nc2ccccc2SCC#N)CC[N@@H+]1CCO	ZINC000614920875	555137379	/nfs/dbraw/zinc/13/73/79/555137379.db2.gz	WXKLRMBKWMMNER-UHFFFAOYSA-N	1	0	362.499	1.629	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[N@H+](CCO)C(C)(C)C2)c1	ZINC000614920857	555137548	/nfs/dbraw/zinc/13/75/48/555137548.db2.gz	VASKCBYZVFSGME-UHFFFAOYSA-N	1	0	372.513	1.939	20	30		FDEDRO
C[C@@H]1CN(C[C@@H](O)COc2ccc(CC#N)cc2)CC[N@@H+]1CC(C)(C)O	ZINC000614928720	555139283	/nfs/dbraw/zinc/13/92/83/555139283.db2.gz	LPQQVXJIGUIDKP-SJLPKXTDSA-N	1	0	361.486	1.269	20	30		FDEDRO
CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000615322554	555191080	/nfs/dbraw/zinc/19/10/80/555191080.db2.gz	GHDBRAXSAFOQIH-UHFFFAOYSA-N	1	0	368.384	1.898	20	30		FDEDRO
C[NH+]1CCN(Cc2ccc(CNC(=O)N3CC[C@](F)(C#N)C3)cc2)CC1	ZINC000615535498	555208842	/nfs/dbraw/zinc/20/88/42/555208842.db2.gz	QJBNIHYJXPGVKK-IBGZPJMESA-N	1	0	359.449	1.581	20	30		FDEDRO
Cc1c(C(=O)N2CC[C@@](F)(C#N)C2)nnn1-c1cccc2c1CC[N@@H+](C)C2	ZINC000615589522	555216751	/nfs/dbraw/zinc/21/67/51/555216751.db2.gz	ZVBKTQRHVMXIHA-LJQANCHMSA-N	1	0	368.416	1.641	20	30		FDEDRO
C[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000617023117	555375628	/nfs/dbraw/zinc/37/56/28/555375628.db2.gz	IEEJHZUPOSAJTI-IRXDYDNUSA-N	1	0	355.442	1.053	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(CC)[C@@H]2CC[N@H+](C)C2)cc1	ZINC000617560172	555467960	/nfs/dbraw/zinc/46/79/60/555467960.db2.gz	JABOUMQPECALFQ-OAHLLOKOSA-N	1	0	351.472	1.317	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CC[NH+](C[C@@H]2CNc3ccnn3C2)CC1	ZINC000619264122	555747099	/nfs/dbraw/zinc/74/70/99/555747099.db2.gz	AWTLYXBCTZUIPA-ZDUSSCGKSA-N	1	0	353.430	1.484	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2cccc(CC#N)c2)C[C@@H]1[NH+]1CCCC1	ZINC000619497594	555789332	/nfs/dbraw/zinc/78/93/32/555789332.db2.gz	PMJALDQNADEFGN-DLBZAZTESA-N	1	0	365.524	1.953	20	30		FDEDRO
CC[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C[C@]2(CCOC2)O1	ZINC000619516254	555793587	/nfs/dbraw/zinc/79/35/87/555793587.db2.gz	RITIAQIWYWXZLY-GGPKGHCWSA-N	1	0	360.454	1.762	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CCN1CCN2CC(F)(F)C[C@H]2C1	ZINC000625497807	556828863	/nfs/dbraw/zinc/82/88/63/556828863.db2.gz	ZSZPQRORBBYCOW-AWEZNQCLSA-N	1	0	359.376	1.311	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)C(C)C	ZINC000625557674	556852824	/nfs/dbraw/zinc/85/28/24/556852824.db2.gz	QKWZOMVVJCODAF-WMZOPIPTSA-N	1	0	373.501	1.588	20	30		FDEDRO
C=CC[C@H]1CC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1	ZINC000625700878	556906801	/nfs/dbraw/zinc/90/68/01/556906801.db2.gz	MVDGPUOCNNEPHP-AWEZNQCLSA-N	1	0	351.472	1.773	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2	ZINC000626822730	557180217	/nfs/dbraw/zinc/18/02/17/557180217.db2.gz	VRTYDUHTOKKRFS-WMLDXEAASA-N	1	0	359.426	1.205	20	30		FDEDRO
C=CCc1cc(CNC(=O)NCC2([NH3+])CCOCC2)cc(OC)c1OC	ZINC000626958335	557241732	/nfs/dbraw/zinc/24/17/32/557241732.db2.gz	OQJLEKHJMLHKEL-UHFFFAOYSA-N	1	0	363.458	1.739	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCN(C3CCC3)C2=O)c(OC)c1	ZINC000629617219	557818212	/nfs/dbraw/zinc/81/82/12/557818212.db2.gz	HNPSDHZXMJQNOO-ROUUACIJSA-N	1	0	374.481	1.906	20	30		FDEDRO
C=CC[C@@H](Cc1ccccc1)n1cc(CNC(=O)CN2CC[NH2+]CC2)nn1	ZINC000630591832	557921306	/nfs/dbraw/zinc/92/13/06/557921306.db2.gz	HHDQGANPSUHLJY-IBGZPJMESA-N	1	0	368.485	1.159	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@H]([NH3+])C[C@@H]2C)cc1	ZINC000632898770	558229611	/nfs/dbraw/zinc/22/96/11/558229611.db2.gz	WBGQEGIDPGCYCL-QWHCGFSZSA-N	1	0	352.460	1.447	20	30		FDEDRO
C=CCn1c(N2CC[N@H+](C)[C@@H](C(C)C)C2)nnc1[C@@]1(OCC)CCOC1	ZINC000634340389	558452841	/nfs/dbraw/zinc/45/28/41/558452841.db2.gz	MKLNZSBICBNRGL-VQIMIIECSA-N	1	0	363.506	1.893	20	30		FDEDRO
C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CCC(CC)([NH+](C)C)CC1	ZINC000634379023	558456982	/nfs/dbraw/zinc/45/69/82/558456982.db2.gz	AHNHIYGETLPWAI-UHFFFAOYSA-N	1	0	358.494	1.960	20	30		FDEDRO
C=C(C)Cn1c(COCCOC)nnc1N1CC[NH+]([C@H](C)CC)CC1	ZINC000634384513	558457504	/nfs/dbraw/zinc/45/75/04/558457504.db2.gz	AXRBBHYSGSLIQC-MRXNPFEDSA-N	1	0	351.495	1.938	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N1CCC(CC)([NH+]2CCOCC2)CC1	ZINC000636727481	567982605	/nfs/dbraw/zinc/98/26/05/567982605.db2.gz	XWKYGMXBZIZGQV-KRWDZBQOSA-N	1	0	365.518	1.951	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1	ZINC000636936050	568212771	/nfs/dbraw/zinc/21/27/71/568212771.db2.gz	HTOPNFSWQCZPMC-IRXDYDNUSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1	ZINC000644844309	568216477	/nfs/dbraw/zinc/21/64/77/568216477.db2.gz	SCNGULIDBJYKNA-ROUUACIJSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1	ZINC000636980325	568290093	/nfs/dbraw/zinc/29/00/93/568290093.db2.gz	OBEPKHLBTBMISQ-FHWLQOOXSA-N	1	0	371.481	1.393	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1	ZINC000637043786	568321970	/nfs/dbraw/zinc/32/19/70/568321970.db2.gz	ZHAOTSUBPRKTED-KRWDZBQOSA-N	1	0	374.485	1.117	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)CC1	ZINC000365392023	568602999	/nfs/dbraw/zinc/60/29/99/568602999.db2.gz	RGIUXLBMAAJMMN-QFBILLFUSA-N	1	0	373.501	1.405	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)NCC2(CC#N)CC2)[C@@H](c2ccccc2)C1	ZINC000365455191	568727984	/nfs/dbraw/zinc/72/79/84/568727984.db2.gz	CDSKQAWBMCOOES-GOSISDBHSA-N	1	0	355.486	1.968	20	30		FDEDRO
C[NH+]1CCN(c2cc(C[NH2+][C@H](C(=O)[O-])c3cccc(C#N)c3)ccn2)CC1	ZINC000830960325	601300905	/nfs/dbraw/zinc/30/09/05/601300905.db2.gz	JUZCSXHCYSKIAZ-IBGZPJMESA-N	1	0	365.437	1.621	20	30		FDEDRO
N#CCC[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1	ZINC000826381538	607708258	/nfs/dbraw/zinc/70/82/58/607708258.db2.gz	PLAWEEMLQKWRFZ-XJKSGUPXSA-N	1	0	363.429	1.740	20	30		FDEDRO
N#Cc1csc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c1	ZINC000822846164	606216132	/nfs/dbraw/zinc/21/61/32/606216132.db2.gz	PVTXKWICNVEUDD-UHFFFAOYSA-N	1	0	366.454	1.953	20	30		FDEDRO
C#CC[NH+](CC#C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2	ZINC000819697310	606503415	/nfs/dbraw/zinc/50/34/15/606503415.db2.gz	ADBKQDHJHZFSCK-UHFFFAOYSA-N	1	0	354.439	1.314	20	30		FDEDRO
COc1cc(-c2nn[nH]n2)ccc1C[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000826167644	608373553	/nfs/dbraw/zinc/37/35/53/608373553.db2.gz	MBDNHEBGZBNVOF-UHFFFAOYSA-N	1	0	367.417	1.117	20	30		FDEDRO
C[C@H]1C[C@H](C)C[NH+](CCCCNS(=O)(=O)c2cccnc2C#N)C1	ZINC000277094032	674854667	/nfs/dbraw/zinc/85/46/67/674854667.db2.gz	VWEPDXGGHRYIRW-GJZGRUSLSA-N	1	0	350.488	1.990	20	30		FDEDRO
N#Cc1ncccc1S(=O)(=O)N1CCC(OCC[NH+]2CCCC2)CC1	ZINC000277180421	674878619	/nfs/dbraw/zinc/87/86/19/674878619.db2.gz	NNYYXLMVMZUMGU-UHFFFAOYSA-N	1	0	364.471	1.219	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(C)C	ZINC000046049187	670989826	/nfs/dbraw/zinc/98/98/26/670989826.db2.gz	PTBUNMBANIXWCF-HOTGVXAUSA-N	1	0	357.520	1.225	20	30		FDEDRO
CC[NH+]=C(NCC1CCN(C(C)=O)CC1)N1CCC(C(=O)OC)CC1	ZINC000086605368	671484455	/nfs/dbraw/zinc/48/44/55/671484455.db2.gz	REUPAZVRNHZXHD-UHFFFAOYSA-N	1	0	352.479	1.095	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NC[C@H]2CC[C@H](C(=O)N(C)C)O2)cc1Cl	ZINC000091537336	671511397	/nfs/dbraw/zinc/51/13/97/671511397.db2.gz	MEDLOPSOQXCCMC-BXUZGUMPSA-N	1	0	354.838	1.711	20	30		FDEDRO
C#CCOc1ccccc1C[NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1	ZINC000111405240	671632210	/nfs/dbraw/zinc/63/22/10/671632210.db2.gz	DJNOISZJNPGJNC-KRWDZBQOSA-N	1	0	366.483	1.277	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CSC[C@H]2C(=O)N[C@@H](C)C(C)C)CC1	ZINC000113074802	671644853	/nfs/dbraw/zinc/64/48/53/671644853.db2.gz	PVSQPMYDQUOZDR-HOCLYGCPSA-N	1	0	351.516	1.394	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccc(CNS(C)(=O)=O)o1	ZINC000121673051	671708584	/nfs/dbraw/zinc/70/85/84/671708584.db2.gz	MJTHWNLYEVAFFV-ZDUSSCGKSA-N	1	0	356.444	1.219	20	30		FDEDRO
[NH2+]=C(NCCc1ccccc1)NC[C@@H](O)CS(=O)(=O)c1cccs1	ZINC000130776489	671797741	/nfs/dbraw/zinc/79/77/41/671797741.db2.gz	IGHZREAHQIDXGH-CQSZACIVSA-N	1	0	367.496	1.030	20	30		FDEDRO
COC1CC[NH+](CCNC(=O)Nc2ccc(F)cc2OCC#N)CC1	ZINC000135308037	671835652	/nfs/dbraw/zinc/83/56/52/671835652.db2.gz	DUNNCLNMDRINRG-UHFFFAOYSA-N	1	0	350.394	1.960	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C[NH2+]C2CC2)c1	ZINC000154258711	671918768	/nfs/dbraw/zinc/91/87/68/671918768.db2.gz	DGPWBGBSNBKCNY-XDJHFCHBSA-N	1	0	350.444	1.190	20	30		FDEDRO
C#CC[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1CCCC1	ZINC000155826060	671947349	/nfs/dbraw/zinc/94/73/49/671947349.db2.gz	WQKQGTVBXQBXRB-UHFFFAOYSA-N	1	0	357.520	1.041	20	30		FDEDRO
[NH2+]=C(NCCNS(=O)(=O)c1cccs1)NCCc1ccccc1	ZINC000160481902	672002009	/nfs/dbraw/zinc/00/20/09/672002009.db2.gz	CEWDEASXPRJOPM-UHFFFAOYSA-N	1	0	352.485	1.173	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@@H](O)C2CCCCC2)CC1	ZINC000170906749	672047837	/nfs/dbraw/zinc/04/78/37/672047837.db2.gz	DCTHWCZRZQOTHJ-OAHLLOKOSA-N	1	0	354.495	1.795	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1	ZINC000173044332	672075990	/nfs/dbraw/zinc/07/59/90/672075990.db2.gz	OZPLLVFNSOCSNK-AWEZNQCLSA-N	1	0	365.499	1.304	20	30		FDEDRO
C#CCCS(=O)(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000288351798	675996114	/nfs/dbraw/zinc/99/61/14/675996114.db2.gz	MVYAQSDHZGAIKH-AWEZNQCLSA-N	1	0	353.463	1.581	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C[NH3+])C2)ccc1F	ZINC000238064838	672433249	/nfs/dbraw/zinc/43/32/49/672433249.db2.gz	KPBWUKKVHLIUHD-LBPRGKRZSA-N	1	0	355.435	1.101	20	30		FDEDRO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCC[C@@H](CO)C2)CC1	ZINC000245886935	672470045	/nfs/dbraw/zinc/47/00/45/672470045.db2.gz	PAFDZKLGPMOOPX-CVEARBPZSA-N	1	0	362.499	1.161	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC2(C#N)CCSCC2)CC1=O	ZINC000245947032	672475305	/nfs/dbraw/zinc/47/53/05/672475305.db2.gz	UTJYSUZPEZNUOH-LSDHHAIUSA-N	1	0	364.515	1.225	20	30		FDEDRO
COCCN(C)S(=O)(=O)[C@@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1	ZINC000249133033	672545272	/nfs/dbraw/zinc/54/52/72/672545272.db2.gz	YIFPDCQGOJWIEK-CRAIPNDOSA-N	1	0	365.499	1.992	20	30		FDEDRO
C[NH+]=C(NCC1CCSCC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1	ZINC000261651892	672643566	/nfs/dbraw/zinc/64/35/66/672643566.db2.gz	ACEHLVNWHAZGCB-QGZVFWFLSA-N	1	0	367.519	1.015	20	30		FDEDRO
CC[NH+]=C(NCCN1CCOC[C@H]1C)N1CCN(c2cccs2)CC1	ZINC000261699522	672654284	/nfs/dbraw/zinc/65/42/84/672654284.db2.gz	FZHVICCJBZAHPH-MRXNPFEDSA-N	1	0	365.547	1.556	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCCN1S(C)(=O)=O)N(C)CCc1cccs1	ZINC000261714298	672657156	/nfs/dbraw/zinc/65/71/56/672657156.db2.gz	HQAASBMIPSRPRA-CYBMUJFWSA-N	1	0	358.533	1.222	20	30		FDEDRO
CC[NH+]=C(NCC(C)(C)SC)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1	ZINC000261790560	672672828	/nfs/dbraw/zinc/67/28/28/672672828.db2.gz	QGAKHUPSDMMNSQ-QGZVFWFLSA-N	1	0	369.535	1.404	20	30		FDEDRO
C[NH+]=C(NCCc1sc(C)nc1C)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000261822023	672678499	/nfs/dbraw/zinc/67/84/99/672678499.db2.gz	ULRBNGGCBNFYKT-INIZCTEOSA-N	1	0	365.547	1.532	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1COCCO1)N[C@H]1CCN(c2cccc(Cl)c2)C1	ZINC000261839325	672681277	/nfs/dbraw/zinc/68/12/77/672681277.db2.gz	WCBZKPJVYIHLEP-DOTOQJQBSA-N	1	0	366.893	1.889	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCCN1S(C)(=O)=O)N1CCc2ccccc2C1	ZINC000261929985	672695909	/nfs/dbraw/zinc/69/59/09/672695909.db2.gz	WDRBBQBCCDIWIU-MRXNPFEDSA-N	1	0	350.488	1.044	20	30		FDEDRO
CC[NH+]=C(NCCc1ccc(O)cc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261931639	672696310	/nfs/dbraw/zinc/69/63/10/672696310.db2.gz	BLTJCCCQCVERLF-UHFFFAOYSA-N	1	0	353.488	1.409	20	30		FDEDRO
C[NH+]=C(NCCc1ccc(C)cc1C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261946660	672699089	/nfs/dbraw/zinc/69/90/89/672699089.db2.gz	GBCMTOBHYFCGRL-UHFFFAOYSA-N	1	0	351.516	1.930	20	30		FDEDRO
C=CC[NH+]=C(NCc1nnc(C)n1C)N[C@@H]1CCO[C@]2(CCSC2)C1	ZINC000261962274	672703027	/nfs/dbraw/zinc/70/30/27/672703027.db2.gz	KNJBIMGKUVFLJI-RHSMWYFYSA-N	1	0	364.519	1.399	20	30		FDEDRO
CC[NH+]=C(NC[C@]1(O)CCSC1)N1CC[C@H](C)[C@H](n2ccnc2)C1	ZINC000261976010	672705316	/nfs/dbraw/zinc/70/53/16/672705316.db2.gz	NQYQERDFSCCZCS-ZMSDIMECSA-N	1	0	351.520	1.600	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)C(C)(C)C)N1CC[C@H](C)[C@@H](n2ccnc2)C1	ZINC000261996308	672708435	/nfs/dbraw/zinc/70/84/35/672708435.db2.gz	SMMVPADNRZYDDY-GJZGRUSLSA-N	1	0	369.535	1.555	20	30		FDEDRO
C[NH+]=C(NCCOC1CCCCCC1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000262000274	672709328	/nfs/dbraw/zinc/70/93/28/672709328.db2.gz	UCCFJMQMHOXCNW-UHFFFAOYSA-N	1	0	359.536	1.810	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NCc1cc(Br)c2c(c1)OCCO2	ZINC000262007823	672711095	/nfs/dbraw/zinc/71/10/95/672711095.db2.gz	SEXJBWLGXJVQLU-VIFPVBQESA-N	1	0	358.236	1.660	20	30		FDEDRO
CC(C)C[NH+]=C(NCC(=O)N(C)C)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2	ZINC000262271566	672759378	/nfs/dbraw/zinc/75/93/78/672759378.db2.gz	GWWSRCZUBNQPOV-USXIJHARSA-N	1	0	350.507	1.614	20	30		FDEDRO
C[C@@H]1CN(C(=[NH2+])NCc2cc3c(c(Br)c2)OCO3)CCO1	ZINC000262305290	672766052	/nfs/dbraw/zinc/76/60/52/672766052.db2.gz	AHAPEAPTLMRZTG-SECBINFHSA-N	1	0	356.220	1.713	20	30		FDEDRO
Cc1noc(C)c1CNC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CCCC1	ZINC000262329838	672771009	/nfs/dbraw/zinc/77/10/09/672771009.db2.gz	ASRTUUCBCUJYQG-AWEZNQCLSA-N	1	0	368.503	1.704	20	30		FDEDRO
C[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000262336438	672772854	/nfs/dbraw/zinc/77/28/54/672772854.db2.gz	WCUIPNFRMUFJJE-ZBFHGGJFSA-N	1	0	369.872	1.478	20	30		FDEDRO
CC[C@H](C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@]2(CCOC2)C1	ZINC000262340128	672773194	/nfs/dbraw/zinc/77/31/94/672773194.db2.gz	CKEIHIGMPSUNTL-ZOBUZTSGSA-N	1	0	357.520	1.278	20	30		FDEDRO
C=C(C)CNC(=[NH+]C[C@H]1CCS(=O)(=O)C1)N1CCc2ncsc2C1	ZINC000262376322	672779139	/nfs/dbraw/zinc/77/91/39/672779139.db2.gz	JNXDMBIBQOJLTL-CYBMUJFWSA-N	1	0	368.528	1.458	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1C[C@@H](OCC)C12CCCC2)N[C@@H]1CCC(=O)N(C)C1	ZINC000262392009	672781986	/nfs/dbraw/zinc/78/19/86/672781986.db2.gz	MKDJFIHNYDVLIK-BZUAXINKSA-N	1	0	350.507	1.900	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)NC1CCN(C(C)=O)CC1	ZINC000262417364	672786190	/nfs/dbraw/zinc/78/61/90/672786190.db2.gz	MLPGCSUDNYIYPL-BBWFWOEESA-N	1	0	350.507	1.756	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCC[C@]2(CCCOC2)C1	ZINC000262424586	672787286	/nfs/dbraw/zinc/78/72/86/672787286.db2.gz	RLJPCMVIPFKOOP-RDJZCZTQSA-N	1	0	357.520	1.279	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(N[C@H]2CCOC3(CCC3)C2)=[NH+]C2CC2)C1	ZINC000262432204	672788531	/nfs/dbraw/zinc/78/85/31/672788531.db2.gz	SQCKKXNKEQVOFD-HIFRSBDPSA-N	1	0	355.504	1.220	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@]2(CCCOC2)C1	ZINC000262452207	672791753	/nfs/dbraw/zinc/79/17/53/672791753.db2.gz	WEEVPJCAJZWHGU-FUHWJXTLSA-N	1	0	371.547	1.668	20	30		FDEDRO
CCC[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCC2(C1)CCOCC2	ZINC000262452243	672791864	/nfs/dbraw/zinc/79/18/64/672791864.db2.gz	WEQUBXWDOQGOGH-OAHLLOKOSA-N	1	0	357.520	1.279	20	30		FDEDRO
CCN(CC)S(=O)(=O)c1ccc(CNC(=[NH2+])N2CCO[C@@H](C)C2)s1	ZINC000262484416	672797342	/nfs/dbraw/zinc/79/73/42/672797342.db2.gz	SDXJAYBMDJPNBE-LBPRGKRZSA-N	1	0	374.532	1.314	20	30		FDEDRO
CC(C)c1cccc(NC(=[NH2+])NCCS(=O)(=O)N2CCSCC2)c1	ZINC000262506303	672800646	/nfs/dbraw/zinc/80/06/46/672800646.db2.gz	BLIKFOIFCSGVIX-UHFFFAOYSA-N	1	0	370.544	1.915	20	30		FDEDRO
C#CCNC(NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)=[NH+]C	ZINC000262632013	672822046	/nfs/dbraw/zinc/82/20/46/672822046.db2.gz	WWBFMDXMYJELAV-OAHLLOKOSA-N	1	0	362.499	1.405	20	30		FDEDRO
C[NH+]=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)NCC1CCC1	ZINC000262747328	672840947	/nfs/dbraw/zinc/84/09/47/672840947.db2.gz	XNBWPKUMTACCAV-UHFFFAOYSA-N	1	0	364.515	1.936	20	30		FDEDRO
CC[NH+]=C(NCC1CCN(C(C)=O)CC1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C	ZINC000262797674	672850857	/nfs/dbraw/zinc/85/08/57/672850857.db2.gz	PYFODBUEFAINTC-GVDBMIGSSA-N	1	0	350.507	1.614	20	30		FDEDRO
CC(C)(C)NC(=[NH2+])NCCNS(=O)(=O)c1ccc(Cl)cc1F	ZINC000262822722	672851615	/nfs/dbraw/zinc/85/16/15/672851615.db2.gz	YRMAJCPPSLJCAK-UHFFFAOYSA-N	1	0	350.847	1.460	20	30		FDEDRO
[NH2+]=C(NC[C@@H]1CSCCN1Cc1ccccc1)N1CCSCC1	ZINC000263286150	672869757	/nfs/dbraw/zinc/86/97/57/672869757.db2.gz	UQYKESIXGIYYRD-MRXNPFEDSA-N	1	0	350.557	1.968	20	30		FDEDRO
CCN(CC)C(=[NH2+])NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1	ZINC000264111799	672901585	/nfs/dbraw/zinc/90/15/85/672901585.db2.gz	RDADDVVMVBCJMQ-HNNXBMFYSA-N	1	0	368.503	1.300	20	30		FDEDRO
C[C@H]1CN(CC(C)(C)O)CCN1S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000289241678	676109490	/nfs/dbraw/zinc/10/94/90/676109490.db2.gz	STUUSYPJYLCYNM-AWEZNQCLSA-N	1	0	351.472	1.165	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)c1	ZINC000267234700	673275288	/nfs/dbraw/zinc/27/52/88/673275288.db2.gz	ATJLTCOHTZLYCZ-GOSISDBHSA-N	1	0	361.467	1.191	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000267418027	673301658	/nfs/dbraw/zinc/30/16/58/673301658.db2.gz	RQMJSJBDOMCXJH-UHFFFAOYSA-N	1	0	353.448	1.033	20	30		FDEDRO
C[C@@H](O)C[N@H+](CCO)CCC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000289802714	676180038	/nfs/dbraw/zinc/18/00/38/676180038.db2.gz	MZMXMFYMTXAFMT-CYBMUJFWSA-N	1	0	365.499	1.892	20	30		FDEDRO
CNS(=O)(=O)NC1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1	ZINC000280963188	675475098	/nfs/dbraw/zinc/47/50/98/675475098.db2.gz	JVRVXSCAKJGRMK-UHFFFAOYSA-N	1	0	350.488	1.506	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@](C)(C(=O)NC)C1)C(C)C	ZINC000281901412	675575499	/nfs/dbraw/zinc/57/54/99/675575499.db2.gz	FMPWLIJGTMQHCR-QFBILLFUSA-N	1	0	350.507	1.853	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000282319226	675622121	/nfs/dbraw/zinc/62/21/21/675622121.db2.gz	OLXVQNXUAKXVIT-XYJFISCASA-N	1	0	364.515	1.965	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NCCc1nccs1)C(C)C	ZINC000284189709	675673391	/nfs/dbraw/zinc/67/33/91/675673391.db2.gz	VMKAKWFYERGUNJ-OAHLLOKOSA-N	1	0	364.515	1.617	20	30		FDEDRO
CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000291921196	676274802	/nfs/dbraw/zinc/27/48/02/676274802.db2.gz	OKCHMHOBMHHMDO-CQSZACIVSA-N	1	0	366.487	1.337	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)OC(F)(F)O2	ZINC000293287002	676342855	/nfs/dbraw/zinc/34/28/55/676342855.db2.gz	GOXBMFSCSPECKK-UHFFFAOYSA-N	1	0	353.325	1.018	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)c1ccc(S(=O)(=O)CC)cc1	ZINC000296713061	676420270	/nfs/dbraw/zinc/42/02/70/676420270.db2.gz	VXDPEXWOZRNTPJ-HNNXBMFYSA-N	1	0	365.499	1.796	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1CCN(Cc2csc(CC)n2)CC1	ZINC000296928824	676421926	/nfs/dbraw/zinc/42/19/26/676421926.db2.gz	OTGJLMBMJDDJQE-UHFFFAOYSA-N	1	0	363.531	1.488	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000303717525	676542869	/nfs/dbraw/zinc/54/28/69/676542869.db2.gz	UDGKFVHRPHOKNX-UHFFFAOYSA-N	1	0	365.909	1.499	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NCCNS(=O)(=O)c2ccc(C)cc2)cc1	ZINC000303769903	676542876	/nfs/dbraw/zinc/54/28/76/676542876.db2.gz	BJNLUNURYORPBV-UHFFFAOYSA-N	1	0	362.455	1.709	20	30		FDEDRO
[NH2+]=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)N1CCCCC1	ZINC000303872476	676543322	/nfs/dbraw/zinc/54/33/22/676543322.db2.gz	BZUPIFDWKBOBAS-UHFFFAOYSA-N	1	0	372.516	1.070	20	30		FDEDRO
COC1(CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)CCOCC1	ZINC000305228540	676544966	/nfs/dbraw/zinc/54/49/66/676544966.db2.gz	WYMITXBJIUCMFK-UHFFFAOYSA-N	1	0	356.467	1.049	20	30		FDEDRO
COCCC(C)(C)CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000305804140	676545277	/nfs/dbraw/zinc/54/52/77/676545277.db2.gz	FSUQVQUVRATNPX-CQSZACIVSA-N	1	0	354.495	1.930	20	30		FDEDRO
CS(=O)(=O)C1CCC(NC(=O)NCC2CC[NH+](C3CC3)CC2)CC1	ZINC000328605099	676599715	/nfs/dbraw/zinc/59/97/15/676599715.db2.gz	JERBBEFQSKALTO-UHFFFAOYSA-N	1	0	357.520	1.720	20	30		FDEDRO
O=C(NCCNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1cccs1	ZINC000328662865	676601217	/nfs/dbraw/zinc/60/12/17/676601217.db2.gz	XOUXEZKXWPSTKC-AWEZNQCLSA-N	1	0	350.488	1.952	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)CCCC1	ZINC000328678596	676601884	/nfs/dbraw/zinc/60/18/84/676601884.db2.gz	BGQNGQALPRMJED-JKSUJKDBSA-N	1	0	353.507	1.932	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000328709980	676603494	/nfs/dbraw/zinc/60/34/94/676603494.db2.gz	FYYCTCOUVDZCOX-OAGGEKHMSA-N	1	0	352.479	1.700	20	30		FDEDRO
CC(C)[C@@H](C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)N1CCCS1(=O)=O	ZINC000328717126	676603742	/nfs/dbraw/zinc/60/37/42/676603742.db2.gz	PEQJXFYPOVMTEM-HNNXBMFYSA-N	1	0	374.551	1.029	20	30		FDEDRO
C[C@H](NC(=O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)N1CCCCC1	ZINC000328902169	676611586	/nfs/dbraw/zinc/61/15/86/676611586.db2.gz	GHHHWKRGJFZJEF-DXCKQFNASA-N	1	0	350.463	1.831	20	30		FDEDRO
CN1CCO[C@@H]2CCN(CC(=O)Nc3nnc(C(C)(C)C)s3)C[C@H]21	ZINC000328924144	676612410	/nfs/dbraw/zinc/61/24/10/676612410.db2.gz	VHBGUWKZDJFYGZ-VXGBXAGGSA-N	1	0	353.492	1.829	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(S(C)(=O)=O)c2ccccc2C1	ZINC000328940271	676613074	/nfs/dbraw/zinc/61/30/74/676613074.db2.gz	SJRRCIDYXVTJEI-OAHLLOKOSA-N	1	0	366.487	1.276	20	30		FDEDRO
Cn1nnnc1SCCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000328969320	676614282	/nfs/dbraw/zinc/61/42/82/676614282.db2.gz	ULPVRMCVFKVXDG-KGLIPLIRSA-N	1	0	368.507	1.417	20	30		FDEDRO
CN1CCOC[C@@H]1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1	ZINC000328978058	676614699	/nfs/dbraw/zinc/61/46/99/676614699.db2.gz	QQUJCOOFFBJFOV-OAHLLOKOSA-N	1	0	354.495	1.741	20	30		FDEDRO
CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C	ZINC000329000567	676615556	/nfs/dbraw/zinc/61/55/56/676615556.db2.gz	HKYIVCXDQLVPMH-IREHDKGXSA-N	1	0	351.491	1.899	20	30		FDEDRO
CN1CCO[C@@H](CNC(=O)CCn2cc(Br)ccc2=O)C1	ZINC000329055591	676617769	/nfs/dbraw/zinc/61/77/69/676617769.db2.gz	MAYJTVLSDQHBAO-LBPRGKRZSA-N	1	0	358.236	1.288	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O	ZINC000329076485	676618740	/nfs/dbraw/zinc/61/87/40/676618740.db2.gz	CFWJDQJLAXPZMJ-ICUGJSFKSA-N	1	0	353.507	1.883	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](c1nc(C)no1)C1CCOCC1	ZINC000329075984	676618780	/nfs/dbraw/zinc/61/87/80/676618780.db2.gz	PQVZFSIJYSORFM-HUUCEWRRSA-N	1	0	351.451	1.834	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O	ZINC000329079128	676618788	/nfs/dbraw/zinc/61/87/88/676618788.db2.gz	QTFDBBHSYSETTD-XDNAFOTISA-N	1	0	353.507	1.883	20	30		FDEDRO
CC(C)N1C(=O)N[C@@H]2CN(C(=O)N[C@H]3C[N@@H+](C(C)C)C[C@H]3C)CC[C@@H]21	ZINC000329098449	676619961	/nfs/dbraw/zinc/61/99/61/676619961.db2.gz	YTQLRJUKIRDVEN-QXSJWSMHSA-N	1	0	351.495	1.710	20	30		FDEDRO
O=C(N[C@H]1CCCCNC1=O)N1CCC(CC[NH+]2CCOCC2)CC1	ZINC000329119776	676620869	/nfs/dbraw/zinc/62/08/69/676620869.db2.gz	PJKRYBHORACFJY-INIZCTEOSA-N	1	0	352.479	1.844	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CSCN1C(=O)C1CCCC1	ZINC000329189643	676624236	/nfs/dbraw/zinc/62/42/36/676624236.db2.gz	RODPQBWUDXJFCA-GDBMZVCRSA-N	1	0	368.547	1.671	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccnc(OCC(F)(F)F)c1	ZINC000329244884	676628341	/nfs/dbraw/zinc/62/83/41/676628341.db2.gz	UWUYQNYXSPZEBG-GFCCVEGCSA-N	1	0	361.368	1.594	20	30		FDEDRO
CC[C@@H]1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)C[C@@H](C)S1(=O)=O	ZINC000329267091	676629429	/nfs/dbraw/zinc/62/94/29/676629429.db2.gz	HQRHXSAFLNISOD-CZUORRHYSA-N	1	0	357.520	1.672	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000329266513	676629481	/nfs/dbraw/zinc/62/94/81/676629481.db2.gz	FPUJDBJZGNFFPQ-HZPDHXFCSA-N	1	0	351.495	1.655	20	30		FDEDRO
O=C(NCc1nccc(C(F)F)n1)N1CC[NH+](C2CCOCC2)CC1	ZINC000329330453	676633362	/nfs/dbraw/zinc/63/33/62/676633362.db2.gz	ZAGKGWQBZDOBJQ-UHFFFAOYSA-N	1	0	355.389	1.625	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H](C(=O)N3CCCC3)C2)C1	ZINC000329468068	676640031	/nfs/dbraw/zinc/64/00/31/676640031.db2.gz	XCALJVZUYIGXGF-SJORKVTESA-N	1	0	350.507	1.965	20	30		FDEDRO
CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CCOCC3(CCOCC3)C2)C1	ZINC000329496332	676641393	/nfs/dbraw/zinc/64/13/93/676641393.db2.gz	DUZSSZMUCWSLCG-INIZCTEOSA-N	1	0	353.463	1.083	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3CCCN3C(=O)NC(C)C)[C@H]2C1	ZINC000329559856	676643947	/nfs/dbraw/zinc/64/39/47/676643947.db2.gz	RBUVEDIJYAXOQM-HRCADAONSA-N	1	0	352.479	1.095	20	30		FDEDRO
C[C@H](NC(=O)CN1C[C@@H]2CCCC[N@@H+]2C[C@H]1C)C(=O)N1CCCCC1	ZINC000329630578	676646976	/nfs/dbraw/zinc/64/69/76/676646976.db2.gz	HYXIGIZBDNYIFD-IKGGRYGDSA-N	1	0	350.507	1.903	20	30		FDEDRO
C[C@H](NC(=O)N1CCC(S(N)(=O)=O)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000329629120	676646999	/nfs/dbraw/zinc/64/69/99/676646999.db2.gz	UYPLZZPNQFXWKJ-KBPBESRZSA-N	1	0	372.535	1.306	20	30		FDEDRO
CC(C)[C@@H](CNS(=O)(=O)CC1(C#N)CCCCC1)N1CC[NH+](C)CC1	ZINC000329668909	676648437	/nfs/dbraw/zinc/64/84/37/676648437.db2.gz	REZTVJRMCIAZCQ-QGZVFWFLSA-N	1	0	370.563	1.652	20	30		FDEDRO
C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCCS3(=O)=O)nc2)CC1	ZINC000329694907	676649763	/nfs/dbraw/zinc/64/97/63/676649763.db2.gz	XFMVCVCGTCSEMH-AWEZNQCLSA-N	1	0	352.460	1.389	20	30		FDEDRO
O=C(NC[C@H]1CCCCS1(=O)=O)N1CCC[N@@H+](C2CCCC2)CC1	ZINC000329721658	676651773	/nfs/dbraw/zinc/65/17/73/676651773.db2.gz	CBUVFPKYOUOPRK-MRXNPFEDSA-N	1	0	357.520	1.818	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCCS2)CC1	ZINC000329728811	676652086	/nfs/dbraw/zinc/65/20/86/676652086.db2.gz	FQTJHQCCOZNTHF-HUUCEWRRSA-N	1	0	354.520	1.425	20	30		FDEDRO
CN1CCO[C@@H](C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)C1	ZINC000329751720	676652891	/nfs/dbraw/zinc/65/28/91/676652891.db2.gz	VWFVNYDKGMAMGK-OAHLLOKOSA-N	1	0	353.444	1.014	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](CC3CCC3)NC(C)=O)C2)CC1	ZINC000329883659	676662142	/nfs/dbraw/zinc/66/21/42/676662142.db2.gz	RHBACIRZNNWEFF-ZWKOTPCHSA-N	1	0	350.507	1.760	20	30		FDEDRO
CC(C)c1nnc([C@@H]2CN(C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)CCO2)o1	ZINC000329969055	676666046	/nfs/dbraw/zinc/66/60/46/676666046.db2.gz	XBGWFNAICLBAJI-MCIONIFRSA-N	1	0	351.451	1.963	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1	ZINC000330203228	676678114	/nfs/dbraw/zinc/67/81/14/676678114.db2.gz	BWQGPXIEKORYLZ-INMHGKMJSA-N	1	0	356.536	1.181	20	30		FDEDRO
CN(CCNC(=O)[C@H]1CCC[N@@H+]1C1CC1)S(=O)(=O)c1cccs1	ZINC000330217443	676679313	/nfs/dbraw/zinc/67/93/13/676679313.db2.gz	IKVDLHIFHRGOHT-CYBMUJFWSA-N	1	0	357.501	1.952	20	30		FDEDRO
CCC(=O)N1CC[C@@H](NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C1	ZINC000330272687	676682256	/nfs/dbraw/zinc/68/22/56/676682256.db2.gz	XYWZNAFVMWIGQZ-HUUCEWRRSA-N	1	0	352.479	1.096	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@@H]3CCCC[C@H]3S(C)(=O)=O)CC[C@H]21	ZINC000330272755	676682329	/nfs/dbraw/zinc/68/23/29/676682329.db2.gz	YCBWGLJPOJZULU-KLHDSHLOSA-N	1	0	357.520	1.672	20	30		FDEDRO
C[C@H](CN1CCCC1=O)NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C	ZINC000330273248	676682458	/nfs/dbraw/zinc/68/24/58/676682458.db2.gz	YXEICOGSDIXPPF-HUUCEWRRSA-N	1	0	352.479	1.096	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H](CNC(=O)NC2CCN(S(=O)(=O)CC)CC2)C1	ZINC000330400938	676689066	/nfs/dbraw/zinc/68/90/66/676689066.db2.gz	FCIQYXOMEJBLDT-AWEZNQCLSA-N	1	0	360.524	1.036	20	30		FDEDRO
CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCC([N@H+](C)CCCO)CC1	ZINC000330486328	676693063	/nfs/dbraw/zinc/69/30/63/676693063.db2.gz	CKXMQXZBFJPLGS-INIZCTEOSA-N	1	0	354.495	1.078	20	30		FDEDRO
Cc1ccc(NC(=O)NCC2(O)CC[NH+](C)CC2)cc1S(C)(=O)=O	ZINC000330493080	676693611	/nfs/dbraw/zinc/69/36/11/676693611.db2.gz	LUONILZOKMTKDB-UHFFFAOYSA-N	1	0	355.460	1.181	20	30		FDEDRO
CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O	ZINC000330580516	676697194	/nfs/dbraw/zinc/69/71/94/676697194.db2.gz	QEHOTWGJCQOZGH-OIPACUDHSA-N	1	0	355.479	1.313	20	30		FDEDRO
C[C@H](CNC(=O)N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)[N@@H+]1CCC[C@@H](C)C1	ZINC000330738456	676702833	/nfs/dbraw/zinc/70/28/33/676702833.db2.gz	NMONOLSKJWZMCD-FPCVCCKLSA-N	1	0	374.551	1.471	20	30		FDEDRO
C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1ccc(S(C)(=O)=O)s1	ZINC000330948347	676710751	/nfs/dbraw/zinc/71/07/51/676710751.db2.gz	IFKAYTPPXUBLTR-DGCLKSJQSA-N	1	0	359.517	1.838	20	30		FDEDRO
CCN1CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C[C@@H]1c1ncc[nH]1	ZINC000331031831	676714494	/nfs/dbraw/zinc/71/44/94/676714494.db2.gz	GTNAIJKYCURCSO-HUUCEWRRSA-N	1	0	350.511	1.979	20	30		FDEDRO
CC(=O)N[C@H](C)C1CC[NH+]([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)CC1	ZINC000331111709	676717122	/nfs/dbraw/zinc/71/71/22/676717122.db2.gz	IXIOIYGFKKJOTB-ZJUUUORDSA-N	1	0	366.384	1.204	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H](CS(C)(=O)=O)C2)C1	ZINC000331121475	676717549	/nfs/dbraw/zinc/71/75/49/676717549.db2.gz	GKVPJHIFZBYMFY-CVEARBPZSA-N	1	0	359.536	1.635	20	30		FDEDRO
CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H](CS(C)(=O)=O)C1	ZINC000331186188	676720857	/nfs/dbraw/zinc/72/08/57/676720857.db2.gz	YSXJGVRKMLJHFY-HZPDHXFCSA-N	1	0	359.536	1.777	20	30		FDEDRO
C[C@@H]1CCC[N@H+](CCNC(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)C1	ZINC000331206023	676721849	/nfs/dbraw/zinc/72/18/49/676721849.db2.gz	YCXYNZAIGXNTBV-KFWWJZLASA-N	1	0	360.524	1.082	20	30		FDEDRO
CS[C@@H]1CN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C[C@@H]1[NH+]1CCCC1	ZINC000332396852	676741237	/nfs/dbraw/zinc/74/12/37/676741237.db2.gz	TXZGCUJDTABENC-HPFXQQBRSA-N	1	0	352.548	1.941	20	30		FDEDRO
CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)c1	ZINC000361033872	676881944	/nfs/dbraw/zinc/88/19/44/676881944.db2.gz	VECSMZWXAPWRGX-HPBDAGMYSA-N	1	0	363.483	1.924	20	30		FDEDRO
N#Cc1ccc(OCCC[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cc1	ZINC000365519963	677361376	/nfs/dbraw/zinc/36/13/76/677361376.db2.gz	ZKNMPKVPHVFMHS-KRWDZBQOSA-N	1	0	363.483	1.827	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CO	ZINC000366658589	677458218	/nfs/dbraw/zinc/45/82/18/677458218.db2.gz	XAKCBYYUONDAAZ-IAGOWNOFSA-N	1	0	363.483	1.477	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000367163236	677489806	/nfs/dbraw/zinc/48/98/06/677489806.db2.gz	AWRMRNIFYJWCMU-FUHWJXTLSA-N	1	0	364.515	1.967	20	30		FDEDRO
C#CCCS(=O)(=O)N(C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1	ZINC000367470911	677492861	/nfs/dbraw/zinc/49/28/61/677492861.db2.gz	XJZZBOPGASRUSL-DOTOQJQBSA-N	1	0	352.504	1.478	20	30		FDEDRO
O=S1(=O)CC[C@H]([NH2+]C2CCN(CC#Cc3ccc(Cl)cc3)CC2)C1	ZINC000369016191	677502680	/nfs/dbraw/zinc/50/26/80/677502680.db2.gz	IKNUIEZKFCUMAF-SFHVURJKSA-N	1	0	366.914	1.933	20	30		FDEDRO
N#Cc1cccc(OCCN2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)c1	ZINC000369906295	677526430	/nfs/dbraw/zinc/52/64/30/677526430.db2.gz	OPIIGOXRCOEFSW-KRWDZBQOSA-N	1	0	363.483	1.178	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)Cc1cccc(C#N)c1	ZINC000370846555	677620091	/nfs/dbraw/zinc/62/00/91/677620091.db2.gz	MYDTYOQSBNBBBA-KURKYZTESA-N	1	0	363.483	1.572	20	30		FDEDRO
C[C@@H]1C[C@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C[C@@H]1C[NH3+]	ZINC000422551580	680740113	/nfs/dbraw/zinc/74/01/13/680740113.db2.gz	FFVQITSETMDWQR-WOPDTQHZSA-N	1	0	352.416	1.460	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1	ZINC000422555865	680741045	/nfs/dbraw/zinc/74/10/45/680741045.db2.gz	REOVNXKAUQXYEH-FMKPAKJESA-N	1	0	365.499	1.596	20	30		FDEDRO
C=CCOc1cccc(CN2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)c1	ZINC000375451283	678101615	/nfs/dbraw/zinc/10/16/15/678101615.db2.gz	QHKDDVUPVWJSIV-GOSISDBHSA-N	1	0	364.511	1.993	20	30		FDEDRO
N#Cc1c(F)ccc(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)c1Cl	ZINC000375737976	678165819	/nfs/dbraw/zinc/16/58/19/678165819.db2.gz	IKACYNMAOFOGQM-UHFFFAOYSA-N	1	0	350.781	1.961	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000378307123	678737137	/nfs/dbraw/zinc/73/71/37/678737137.db2.gz	PHKGRPYXBYXQSN-YJBOKZPZSA-N	1	0	362.499	1.205	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1	ZINC000409596202	678866202	/nfs/dbraw/zinc/86/62/02/678866202.db2.gz	SAKJDUXCJQEQBV-HZPDHXFCSA-N	1	0	360.524	1.051	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1	ZINC000410124279	678880077	/nfs/dbraw/zinc/88/00/77/678880077.db2.gz	JLYVCDJWFHVQBI-JKSUJKDBSA-N	1	0	352.504	1.823	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1	ZINC000410138154	678882942	/nfs/dbraw/zinc/88/29/42/678882942.db2.gz	CWSWSTJDGFACRC-BRWVUGGUSA-N	1	0	370.519	1.042	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000410407508	678894074	/nfs/dbraw/zinc/89/40/74/678894074.db2.gz	OVZHOOLDJLFDNY-QGZVFWFLSA-N	1	0	350.488	1.578	20	30		FDEDRO
C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000424100349	680829751	/nfs/dbraw/zinc/82/97/51/680829751.db2.gz	KKWLQIGTLOUJPF-WFASDCNBSA-N	1	0	352.460	1.135	20	30		FDEDRO
CN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)[C@@H]([NH3+])CCCC#N	ZINC000424107249	680830070	/nfs/dbraw/zinc/83/00/70/680830070.db2.gz	NQGBTCXTUCCCDO-INIZCTEOSA-N	1	0	367.471	1.339	20	30		FDEDRO
C[C@@H]1CN(Cc2csc(NC(=O)[C@@H]([NH3+])CCCC#N)n2)C[C@H](C)O1	ZINC000424132535	680830425	/nfs/dbraw/zinc/83/04/25/680830425.db2.gz	KVPVNYBFFIZRBS-SCRDCRAPSA-N	1	0	351.476	1.712	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCC[NH2+]2)cc1	ZINC000414890106	679372609	/nfs/dbraw/zinc/37/26/09/679372609.db2.gz	HBHDOBFKKFHVPM-AWEZNQCLSA-N	1	0	352.460	1.367	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)cc1Br	ZINC000415380576	679419131	/nfs/dbraw/zinc/41/91/31/679419131.db2.gz	PMGDDUYZTMWKIG-NSHDSACASA-N	1	0	351.204	1.127	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)cc1Br	ZINC000415438176	679431375	/nfs/dbraw/zinc/43/13/75/679431375.db2.gz	BDRYVRDYYYWJEF-GFCCVEGCSA-N	1	0	351.204	1.113	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc1	ZINC000415591302	679460007	/nfs/dbraw/zinc/46/00/07/679460007.db2.gz	AKBQLDLCUFIXJF-DVOMOZLQSA-N	1	0	364.471	1.963	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1	ZINC000415594276	679460624	/nfs/dbraw/zinc/46/06/24/679460624.db2.gz	GBLQOCICARSHJF-XUJVJEKNSA-N	1	0	350.444	1.492	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@](C)(C[NH3+])C2CC2)cc1	ZINC000415601573	679462626	/nfs/dbraw/zinc/46/26/26/679462626.db2.gz	PSHIBKXSURPMRJ-MEDUHNTESA-N	1	0	350.444	1.621	20	30		FDEDRO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1	ZINC000415679342	679477898	/nfs/dbraw/zinc/47/78/98/679477898.db2.gz	YKOJSMAEEATPRA-MELADBBJSA-N	1	0	358.467	1.555	20	30		FDEDRO
C=CCC1(C(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)CCOCC1	ZINC000424643226	680853730	/nfs/dbraw/zinc/85/37/30/680853730.db2.gz	LHWAPMZSJIDDHQ-UHFFFAOYSA-N	1	0	351.491	1.372	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1	ZINC000416458673	679631245	/nfs/dbraw/zinc/63/12/45/679631245.db2.gz	QGRPYBRNEBJOEM-OAHLLOKOSA-N	1	0	351.472	1.535	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F	ZINC000418751207	680117139	/nfs/dbraw/zinc/11/71/39/680117139.db2.gz	QIHRDGHBGHRCDZ-OAHLLOKOSA-N	1	0	352.385	1.713	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)c1ccc(F)c(F)c1	ZINC000419672969	680314853	/nfs/dbraw/zinc/31/48/53/680314853.db2.gz	GWZGRDZZNXBTPT-RBOXIYTFSA-N	1	0	351.397	1.894	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C)c1ccc(F)c(F)c1	ZINC000419677458	680317400	/nfs/dbraw/zinc/31/74/00/680317400.db2.gz	MWIPYEFJWYJESB-UVBJJODRSA-N	1	0	351.397	1.955	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)c1ccc(F)c(F)c1	ZINC000419677860	680317742	/nfs/dbraw/zinc/31/77/42/680317742.db2.gz	NJTVEAKNAKRNQQ-XZJROXQQSA-N	1	0	351.397	1.812	20	30		FDEDRO
C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cccc(C#N)c1Br	ZINC000419711159	680332785	/nfs/dbraw/zinc/33/27/85/680332785.db2.gz	RQUDOYQNDAOXTB-VIFPVBQESA-N	1	0	353.220	1.326	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)[C@H](C)C[NH2+]1	ZINC000420431258	680447396	/nfs/dbraw/zinc/44/73/96/680447396.db2.gz	XBAINAVZBQVRFF-NXEZZACHSA-N	1	0	358.261	1.692	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1	ZINC000421097386	680599467	/nfs/dbraw/zinc/59/94/67/680599467.db2.gz	DBVQYQVABUNWSX-HIFRSBDPSA-N	1	0	364.471	1.930	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cc(C#N)ccc3Cl)CC2)C1=O	ZINC000425310110	680893656	/nfs/dbraw/zinc/89/36/56/680893656.db2.gz	OBBMUOQLZRKQLW-MRXNPFEDSA-N	1	0	360.845	1.637	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1	ZINC000425862239	680937157	/nfs/dbraw/zinc/93/71/57/680937157.db2.gz	JZGJOHPSFKHRIP-HOTGVXAUSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CC[N@@H+](C)CCN(CC)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000429703140	681044848	/nfs/dbraw/zinc/04/48/48/681044848.db2.gz	QAKIGBUCIDLHDU-CQSZACIVSA-N	1	0	368.503	1.101	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)c1	ZINC000430621581	681087237	/nfs/dbraw/zinc/08/72/37/681087237.db2.gz	DQCWMFFQUXCDOK-MRXNPFEDSA-N	1	0	365.499	1.659	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNS(=O)(=O)c2cccc(Cl)c2C#N)CCCO1	ZINC000432322820	681152493	/nfs/dbraw/zinc/15/24/93/681152493.db2.gz	AGGPIFYUDKZTLK-ZDUSSCGKSA-N	1	0	371.890	1.991	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNS(=O)(=O)Cc2ccc(C#N)cc2F)CCCO1	ZINC000432333518	681153323	/nfs/dbraw/zinc/15/33/23/681153323.db2.gz	BNNCTPYQEOVZNJ-CQSZACIVSA-N	1	0	369.462	1.618	20	30		FDEDRO
C=CCN(C(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1	ZINC000433303345	681179002	/nfs/dbraw/zinc/17/90/02/681179002.db2.gz	KRWBBTQECFTVOG-SJORKVTESA-N	1	0	350.484	1.881	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c1	ZINC000440342687	681988563	/nfs/dbraw/zinc/98/85/63/681988563.db2.gz	SAVLKRJJEVUPHY-BBRMVZONSA-N	1	0	351.472	1.493	20	30		FDEDRO
C[N@@H+]1CC[C@H](CNC(=O)COc2cccc(Br)c2C#N)C1	ZINC000449788017	682711479	/nfs/dbraw/zinc/71/14/79/682711479.db2.gz	AADOIJGKWDVTHV-LLVKDONJSA-N	1	0	352.232	1.767	20	30		FDEDRO
C[NH+](C)[C@H]1CCN(C(=O)COc2cccc(Br)c2C#N)C1	ZINC000449838838	682717226	/nfs/dbraw/zinc/71/72/26/682717226.db2.gz	JCQNHHGHJOKRGJ-NSHDSACASA-N	1	0	352.232	1.862	20	30		FDEDRO
N#Cc1cc(Br)ccc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000450247863	682747533	/nfs/dbraw/zinc/74/75/33/682747533.db2.gz	ZSOLKBCHVQFOQZ-CQSZACIVSA-N	1	0	366.259	1.897	20	30		FDEDRO
N#CCC1(CS(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1	ZINC000451326484	682862015	/nfs/dbraw/zinc/86/20/15/682862015.db2.gz	DJNYZENICQTKLZ-CVEARBPZSA-N	1	0	355.504	1.368	20	30		FDEDRO
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@H]1CCC[N@@H+]1CCCO	ZINC000452356784	683057793	/nfs/dbraw/zinc/05/77/93/683057793.db2.gz	DKUVLVVNZQRGBH-RDTXWAMCSA-N	1	0	353.463	1.211	20	30		FDEDRO
CC(C)[C@H](CNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1)[NH+]1CCCC1	ZINC000453614488	683169758	/nfs/dbraw/zinc/16/97/58/683169758.db2.gz	FBSPPGFMLFDMMQ-HNNXBMFYSA-N	1	0	363.849	1.782	20	30		FDEDRO
C=C(C)CCNC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	ZINC000458991360	684353805	/nfs/dbraw/zinc/35/38/05/684353805.db2.gz	DPLYYZYHEQYEFO-UHFFFAOYSA-N	1	0	350.507	1.976	20	30		FDEDRO
C[C@@H](CO)[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1	ZINC000470921858	685091716	/nfs/dbraw/zinc/09/17/16/685091716.db2.gz	XCJFTOBNXWFZRJ-LBPRGKRZSA-N	1	0	364.833	1.065	20	30		FDEDRO
N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CCCC(=O)NC(N)=O)CC1	ZINC000470998583	685102029	/nfs/dbraw/zinc/10/20/29/685102029.db2.gz	XFKPEMVXVXKICS-OAHLLOKOSA-N	1	0	363.849	1.497	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C	ZINC000479980054	686072612	/nfs/dbraw/zinc/07/26/12/686072612.db2.gz	MTTXHKDLCPSELJ-PMPSAXMXSA-N	1	0	353.507	1.566	20	30		FDEDRO
CC[NH+](CC)CCN(CCOC)S(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000481024686	686282352	/nfs/dbraw/zinc/28/23/52/686282352.db2.gz	OCSOTGNHPZNAFO-UHFFFAOYSA-N	1	0	371.478	1.817	20	30		FDEDRO
C=CCOC[C@@H](NCc1nc2c(s1)C[N@@H+](C(C)C)CC2)C(=O)OC	ZINC000482459141	686407814	/nfs/dbraw/zinc/40/78/14/686407814.db2.gz	VJPKCXAPQZSVCC-CQSZACIVSA-N	1	0	353.488	1.743	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1	ZINC000483091708	686468038	/nfs/dbraw/zinc/46/80/38/686468038.db2.gz	VSRLMOHLLYZQCF-RDJZCZTQSA-N	1	0	361.511	1.974	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCOC[C@@H]2OCCOC)CC1	ZINC000486197280	686848358	/nfs/dbraw/zinc/84/83/58/686848358.db2.gz	XRHGXPOAESXHOA-IRXDYDNUSA-N	1	0	355.479	1.147	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1	ZINC000490041471	687128198	/nfs/dbraw/zinc/12/81/98/687128198.db2.gz	RWVBHMFUZHMOIW-GOSISDBHSA-N	1	0	363.483	1.367	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC([NH+](C)C)CC2)c1	ZINC000498170301	687757365	/nfs/dbraw/zinc/75/73/65/687757365.db2.gz	WYTGPPVSBIEYSE-UHFFFAOYSA-N	1	0	351.472	1.317	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCC[C@H]1C(=O)NC)C(C)C	ZINC000498537876	687805329	/nfs/dbraw/zinc/80/53/29/687805329.db2.gz	AHQLDMFIPYGKKQ-BRWVUGGUSA-N	1	0	350.507	1.899	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NCC(C)(C)C#N)CC1	ZINC000498898043	687876069	/nfs/dbraw/zinc/87/60/69/687876069.db2.gz	APHMLIOXESZGBU-UHFFFAOYSA-N	1	0	351.495	1.462	20	30		FDEDRO
N#CC1(CCC[N@H+](C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CCOCC1	ZINC000499581002	687967496	/nfs/dbraw/zinc/96/74/96/687967496.db2.gz	DXLYERKERRPWAS-DLBZAZTESA-N	1	0	370.515	1.755	20	30		FDEDRO
CC[NH+](CC)C[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1	ZINC000501232080	688163559	/nfs/dbraw/zinc/16/35/59/688163559.db2.gz	WCDCHKYRJIZDJD-CQSZACIVSA-N	1	0	366.487	1.025	20	30		FDEDRO
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCC1CC[NH+](CCO)CC1	ZINC000507320547	688628051	/nfs/dbraw/zinc/62/80/51/688628051.db2.gz	AUNIITUINVKBEU-SFHVURJKSA-N	1	0	353.463	1.069	20	30		FDEDRO
COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)N(C)[C@H](C)CC#N)c1	ZINC000509240446	689247944	/nfs/dbraw/zinc/24/79/44/689247944.db2.gz	PMAPWFPNQZUCFB-OAHLLOKOSA-N	1	0	368.503	1.538	20	30		FDEDRO
CC[N@H+](CCC1CCN(C(=O)NCC(=O)NCC#N)CC1)CC(C)C	ZINC000511917553	689565956	/nfs/dbraw/zinc/56/59/56/689565956.db2.gz	VXYZBPMMWRTQCQ-UHFFFAOYSA-N	1	0	351.495	1.416	20	30		FDEDRO
Cc1nc(SCC(=O)NCCN2CC[NH+](C)CC2)c(C#N)c(C)c1C	ZINC000516845321	689996578	/nfs/dbraw/zinc/99/65/78/689996578.db2.gz	PJSUWOSNRGWVOF-UHFFFAOYSA-N	1	0	361.515	1.334	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NCC2CC[NH+](CC)CC2)c1	ZINC000516904013	690008071	/nfs/dbraw/zinc/00/80/71/690008071.db2.gz	FFOSESLRSNIDPN-UHFFFAOYSA-N	1	0	365.499	1.613	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cncc(F)c1	ZINC000517554864	690074022	/nfs/dbraw/zinc/07/40/22/690074022.db2.gz	MJJFCSZTSPYOFW-UHFFFAOYSA-N	1	0	362.430	1.845	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CC(=O)N(c2ccccc2Cl)C1	ZINC000519596095	690228448	/nfs/dbraw/zinc/22/84/48/690228448.db2.gz	JRKVYKQOAGWIBG-UONOGXRCSA-N	1	0	350.850	1.241	20	30		FDEDRO
CC(C)[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1	ZINC000528686672	694743120	/nfs/dbraw/zinc/74/31/20/694743120.db2.gz	HCJVEUIXRPHSBS-BBRMVZONSA-N	1	0	364.471	1.834	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC2(C[NH3+])CCOCC2)cc1	ZINC000528689127	694743477	/nfs/dbraw/zinc/74/34/77/694743477.db2.gz	PMPZGQOVIZHOQA-LBPRGKRZSA-N	1	0	366.443	1.002	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[N@H+](CCN1CCOCC1)[C@@H]1CCSC1	ZINC000639772041	695496304	/nfs/dbraw/zinc/49/63/04/695496304.db2.gz	KDQFBRBJDBPRRC-QGZVFWFLSA-N	1	0	355.548	1.551	20	30		FDEDRO
N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1C[C@@H]2C[NH2+]C[C@@]2(CO)C1	ZINC001164403761	718850324	/nfs/dbraw/zinc/85/03/24/718850324.db2.gz	IJVKVWPVVMLOND-SDBXPKJASA-N	1	0	363.195	1.823	20	30		FDEDRO
N#Cc1cc(Cl)nc(C(F)(F)N2CCCO[C@]3(C[NH2+]CCOC3)C2)c1	ZINC001164426256	718914401	/nfs/dbraw/zinc/91/44/01/718914401.db2.gz	YUFJDVJRFHNGMU-OAHLLOKOSA-N	1	0	372.803	1.737	20	30		FDEDRO
N#Cc1cc(C(F)(F)N2CCCO[C@@]3(C[NH2+]CCOC3)C2)cc(Cl)n1	ZINC001164422738	718914703	/nfs/dbraw/zinc/91/47/03/718914703.db2.gz	ALZIDAFDBIPFOI-HNNXBMFYSA-N	1	0	372.803	1.737	20	30		FDEDRO
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1ccc(Cl)nc1C#N	ZINC001164616710	719014142	/nfs/dbraw/zinc/01/41/42/719014142.db2.gz	LKQMCEVBMLFRDO-TVYUQYBPSA-N	1	0	370.787	1.881	20	30		FDEDRO
CC(C)N(C)Cc1nn(-c2nc(C#N)ccc2[N+](=O)[O-])c2c1CC[NH2+]C2	ZINC001164684885	719621947	/nfs/dbraw/zinc/62/19/47/719621947.db2.gz	YOXMTRMFXWKZRL-UHFFFAOYSA-N	1	0	355.402	1.533	20	30		FDEDRO
Cc1nc(C#N)cnc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1	ZINC001164828891	720333170	/nfs/dbraw/zinc/33/31/70/720333170.db2.gz	KEVSNKDNEHWPHK-ZWKOTPCHSA-N	1	0	368.485	1.568	20	30		FDEDRO
COc1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)ncc1C#N	ZINC001164745023	720610749	/nfs/dbraw/zinc/61/07/49/720610749.db2.gz	UAUILBIBXMKPNZ-HUUCEWRRSA-N	1	0	352.398	1.094	20	30		FDEDRO
Cc1cnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c(C=NO)c1	ZINC001164742919	720741494	/nfs/dbraw/zinc/74/14/94/720741494.db2.gz	PJJRFMZZRFEBID-HOTGVXAUSA-N	1	0	354.414	1.330	20	30		FDEDRO
N#Cc1cnc2cc[nH]c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c1-2	ZINC001164739883	720744553	/nfs/dbraw/zinc/74/45/53/720744553.db2.gz	JFPKXCBESNNFDI-GJZGRUSLSA-N	1	0	361.409	1.566	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4[nH]cc(C#N)c43)CC[C@@H]2C1	ZINC001164847908	720832461	/nfs/dbraw/zinc/83/24/61/720832461.db2.gz	KVFFBFIRRHSIOB-UKRRQHHQSA-N	1	0	356.430	1.003	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3nccc(Cl)c3C#N)CC[C@H]2C1	ZINC001164857139	720843619	/nfs/dbraw/zinc/84/36/19/720843619.db2.gz	XTNXBACYALZLLU-BBRMVZONSA-N	1	0	350.850	1.780	20	30		FDEDRO
Cc1ncc(C#N)c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1	ZINC001164868675	721073398	/nfs/dbraw/zinc/07/33/98/721073398.db2.gz	PIXROIOMQGCLPX-ZWKOTPCHSA-N	1	0	350.426	1.531	20	30		FDEDRO
Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncc5c(C#N)c[nH]c5n4)C[C@@H]3C2)cn1	ZINC001164762554	721175864	/nfs/dbraw/zinc/17/58/64/721175864.db2.gz	CSUJJNPJOXUHBS-ZBFHGGJFSA-N	1	0	362.441	1.521	20	30		FDEDRO
CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncccc4C#N)C3)O2)CC1	ZINC001164894439	721383995	/nfs/dbraw/zinc/38/39/95/721383995.db2.gz	XYQWOHMHZICXFA-ICSRJNTNSA-N	1	0	355.486	1.719	20	30		FDEDRO
CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cncc(C#N)n4)C3)O2)CC1	ZINC001164889946	721392341	/nfs/dbraw/zinc/39/23/41/721392341.db2.gz	NAMWWLPMUJLBFY-PKOBYXMFSA-N	1	0	356.474	1.114	20	30		FDEDRO
Cc1ncc(C#N)c(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1	ZINC001164888876	721402430	/nfs/dbraw/zinc/40/24/30/721402430.db2.gz	PBMIRTPRARESJA-AZUAARDMSA-N	1	0	370.501	1.422	20	30		FDEDRO
CSc1nc(Cl)c(C#N)c(N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)n1	ZINC001164922799	721847253	/nfs/dbraw/zinc/84/72/53/721847253.db2.gz	RDKVSDKGQURIBP-QWHCGFSZSA-N	1	0	366.922	1.938	20	30		FDEDRO
C[NH+](C)CCOCc1ncn2c1CN(c1ncc(C#N)cc1C#N)CCC2	ZINC001164999848	722252283	/nfs/dbraw/zinc/25/22/83/722252283.db2.gz	HCUKXYFKMRGMJZ-UHFFFAOYSA-N	1	0	365.441	1.510	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CCCO2)C[C@H]1c1ccccc1	ZINC001211541928	782530999	/nfs/dbraw/zinc/53/09/99/782530999.db2.gz	QAZLOFYDKJHJTD-CEXWTWQISA-N	1	0	371.481	1.442	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC001022719320	782594988	/nfs/dbraw/zinc/59/49/88/782594988.db2.gz	JRIJBBUTLMWFOT-XUWVNRHRSA-N	1	0	358.417	1.158	20	30		FDEDRO
COC(=O)COc1ccc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)cc1	ZINC000274501376	768823192	/nfs/dbraw/zinc/82/31/92/768823192.db2.gz	VEHSBVOSFBGLJD-KUHUBIRLSA-N	1	0	361.442	1.943	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1ccc(=O)[nH]c1)C2	ZINC001112474365	769768932	/nfs/dbraw/zinc/76/89/32/769768932.db2.gz	ATXZTWRUBALBGX-PXNSSMCTSA-N	1	0	357.454	1.198	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]2C)CCCC1	ZINC001211495499	769876564	/nfs/dbraw/zinc/87/65/64/769876564.db2.gz	ODKUYWSVJBRXBU-FGTMMUONSA-N	1	0	360.502	1.817	20	30		FDEDRO
C[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1NC(=O)CC[C@@]1(C)CCC(=O)N1	ZINC001211499876	769953500	/nfs/dbraw/zinc/95/35/00/769953500.db2.gz	VNBHUZCUHOKBKX-FPDPHYFHSA-N	1	0	368.481	1.944	20	30		FDEDRO
CO[C@H]1C[C@@H]([N@H+](C)CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000510092562	770043989	/nfs/dbraw/zinc/04/39/89/770043989.db2.gz	ADMOFZHGWOHNKX-OTWHNJEPSA-N	1	0	374.460	1.644	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc3[nH]ccc3n2)C[C@H]1C	ZINC001104414323	782828460	/nfs/dbraw/zinc/82/84/60/782828460.db2.gz	PHJPKLWOOZEBGY-HUUCEWRRSA-N	1	0	367.453	1.000	20	30		FDEDRO
C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(CC#Cc2ccc(F)cc2)C1	ZINC000969703840	770702063	/nfs/dbraw/zinc/70/20/63/770702063.db2.gz	LHSUNDORYXKZJG-JXXFODFXSA-N	1	0	357.473	1.954	20	30		FDEDRO
C=CC[C@H](CO)[NH2+]Cc1cn(C)nc1CN1C(=O)c2ccccc2C1=O	ZINC000657434801	782873387	/nfs/dbraw/zinc/87/33/87/782873387.db2.gz	HVJBDAZKWHFHGI-CQSZACIVSA-N	1	0	354.410	1.243	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C(N)=O)c2ccc(F)cc2)C1	ZINC001020604525	770979239	/nfs/dbraw/zinc/97/92/39/770979239.db2.gz	BKFSGZAFMFWWTC-MTSZKFMLSA-N	1	0	361.417	1.180	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1	ZINC000275003769	771035463	/nfs/dbraw/zinc/03/54/63/771035463.db2.gz	CUZQQDVTSUJGPQ-KRWDZBQOSA-N	1	0	369.465	1.827	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCc3ccccc32)C1	ZINC000970016618	771194983	/nfs/dbraw/zinc/19/49/83/771194983.db2.gz	FSIFTZWEVPIFPP-LMMKCTJWSA-N	1	0	369.465	1.357	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nc3ccccc3n2C)C1	ZINC000970014094	771202141	/nfs/dbraw/zinc/20/21/41/771202141.db2.gz	ALNZLBRDXXVRMS-RKVPGOIHSA-N	1	0	354.454	1.855	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000535632256	771284530	/nfs/dbraw/zinc/28/45/30/771284530.db2.gz	POOJWWMUCVENMB-MSOLQXFVSA-N	1	0	352.438	1.510	20	30		FDEDRO
Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]CC(=O)N(CCC#N)CCC#N	ZINC000275241359	771412342	/nfs/dbraw/zinc/41/23/42/771412342.db2.gz	FJXQPFUTBABPGI-YJBOKZPZSA-N	1	0	358.446	1.113	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1	ZINC000430383780	771728414	/nfs/dbraw/zinc/72/84/14/771728414.db2.gz	JFMKZLFZAKRRLD-FUHWJXTLSA-N	1	0	363.502	1.561	20	30		FDEDRO
CN(CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)CC1([NH+](C)C)CCC1	ZINC000275385596	771769595	/nfs/dbraw/zinc/76/95/95/771769595.db2.gz	FJQNELMHVZTXHO-OAHLLOKOSA-N	1	0	367.453	1.928	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)N(CC)CC)C1	ZINC001210070598	771900631	/nfs/dbraw/zinc/90/06/31/771900631.db2.gz	NHDKVAFWPIRZQA-BQFCYCMXSA-N	1	0	351.491	1.417	20	30		FDEDRO
C[C@@H](NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1C[NH+](Cc2ccc(C#N)cc2)C1	ZINC000970179729	771918006	/nfs/dbraw/zinc/91/80/06/771918006.db2.gz	PXNCJHXVIJUXAS-XTHJOECLSA-N	1	0	351.450	1.918	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCO[C@H]1C1CC1)C2	ZINC001112482351	772343039	/nfs/dbraw/zinc/34/30/39/772343039.db2.gz	QFPKIFYZUWQCOR-JTJHWIPRSA-N	1	0	360.498	1.670	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cc3occc3[nH]2)C[C@H]1C	ZINC001104252674	772355368	/nfs/dbraw/zinc/35/53/68/772355368.db2.gz	MFKGTTBKSKIXCC-QLFBSQMISA-N	1	0	370.453	1.587	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@@H](OCC)C(=C)C)C[C@H]1C	ZINC001104255378	772432535	/nfs/dbraw/zinc/43/25/35/772432535.db2.gz	MWLCCXYWNICHPO-KZNAEPCWSA-N	1	0	363.502	1.181	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2cccnc2)CC1	ZINC001167296193	772496700	/nfs/dbraw/zinc/49/67/00/772496700.db2.gz	YVBSHIPBMDFTCI-BPQIPLTHSA-N	1	0	368.481	1.199	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)c2cn(-c3cccnc3)nn2)C[C@H]1C	ZINC001104270577	772666078	/nfs/dbraw/zinc/66/60/78/772666078.db2.gz	DSTJBVDNJPTOON-HZPDHXFCSA-N	1	0	354.458	1.926	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[C@@H]3C[C@@H]3CC1)C2	ZINC001112484538	772675353	/nfs/dbraw/zinc/67/53/53/772675353.db2.gz	WFLIXBMJJPLJNA-QUXXCFOZSA-N	1	0	371.525	1.780	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1	ZINC001021285197	772746550	/nfs/dbraw/zinc/74/65/50/772746550.db2.gz	FOWBQNRWSKKUBW-GPLKVYFTSA-N	1	0	369.465	1.974	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)CC(F)F)C[C@H]1C	ZINC001104281181	772762077	/nfs/dbraw/zinc/76/20/77/772762077.db2.gz	ILQKEECGKHZSMU-ZIAGYGMSSA-N	1	0	357.445	1.491	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ncn(C)c32)C[C@H]1C	ZINC001104282684	772776149	/nfs/dbraw/zinc/77/61/49/772776149.db2.gz	OZMGDOSXYQKIMD-ZIAGYGMSSA-N	1	0	355.442	1.385	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC3(C2)OC(=O)Nc2ccc(F)cc23)CC1	ZINC000891011853	772833006	/nfs/dbraw/zinc/83/30/06/772833006.db2.gz	HECUDNPGDUHKTE-UHFFFAOYSA-N	1	0	357.385	1.771	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1	ZINC001021326022	772921651	/nfs/dbraw/zinc/92/16/51/772921651.db2.gz	POHSIXRAONFHMH-XYJFISCASA-N	1	0	369.469	1.434	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCc2cnn(C)c2)C1	ZINC000970560701	772955160	/nfs/dbraw/zinc/95/51/60/772955160.db2.gz	PMXXBGHXBFXFOE-MNEFBYGVSA-N	1	0	360.502	1.770	20	30		FDEDRO
C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC000970558432	772955764	/nfs/dbraw/zinc/95/57/64/772955764.db2.gz	RZQGTOIFVWOORN-DKSSEZFCSA-N	1	0	356.470	1.614	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCc2ccnn2C)C1	ZINC000970559960	772960071	/nfs/dbraw/zinc/96/00/71/772960071.db2.gz	HHENQHWFKWIRME-SNRMKQJTSA-N	1	0	360.502	1.770	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1ccnn1C)C2	ZINC001112486568	772983416	/nfs/dbraw/zinc/98/34/16/772983416.db2.gz	ZYBBICDWWXQABC-OOSNJVJTSA-N	1	0	370.497	1.392	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCC1	ZINC000275670896	773078649	/nfs/dbraw/zinc/07/86/49/773078649.db2.gz	SGRQTXYUSFIJKE-SFHVURJKSA-N	1	0	355.486	1.890	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C1CC1	ZINC001021384949	773121604	/nfs/dbraw/zinc/12/16/04/773121604.db2.gz	HZIGPAHSZCCOJG-JQWQUYJUSA-N	1	0	361.486	1.310	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1Cc3cncn3C(=O)N1)C2	ZINC001112488354	773180169	/nfs/dbraw/zinc/18/01/69/773180169.db2.gz	WLPJTYQYDOXURF-QOKNQOGYSA-N	1	0	357.458	1.160	20	30		FDEDRO
C#CC1(F)CN(C(=O)C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)C1	ZINC000891175318	773544688	/nfs/dbraw/zinc/54/46/88/773544688.db2.gz	VCSBQQOTQUFEHL-QGZVFWFLSA-N	1	0	370.428	1.093	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)CN3C(=O)Cc4ccccc43)[C@H]2C1	ZINC001083206304	773556374	/nfs/dbraw/zinc/55/63/74/773556374.db2.gz	SKCCVTZTQNVKMW-ZWKOTPCHSA-N	1	0	355.438	1.063	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C(C)C)nc2)C[C@H]1C	ZINC001104290055	773664618	/nfs/dbraw/zinc/66/46/18/773664618.db2.gz	ZFGPJGUPJMWQQI-SJLPKXTDSA-N	1	0	370.497	1.642	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1COCCN1CC(F)F)C2	ZINC001112492752	773708903	/nfs/dbraw/zinc/70/89/03/773708903.db2.gz	GSPXDAQESMCXOL-FCEWJHQRSA-N	1	0	369.456	1.194	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1COCCN1CC1CCC1)C2	ZINC001112492965	773735537	/nfs/dbraw/zinc/73/55/37/773735537.db2.gz	KZQGHGGNPMZLBS-ZJOUEHCJSA-N	1	0	359.514	1.339	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1COCCN1CC(F)F)C2	ZINC001112493086	773759328	/nfs/dbraw/zinc/75/93/28/773759328.db2.gz	NYPZLENWAFLRIG-FCEWJHQRSA-N	1	0	371.472	1.747	20	30		FDEDRO
N#CCNC[C@]12CCC[C@H]1CN(C(=O)[C@H]1COCCN1CC1CCC1)C2	ZINC001112493479	773799205	/nfs/dbraw/zinc/79/92/05/773799205.db2.gz	YOFZRZGBMQWBAX-NSHGMRRFSA-N	1	0	360.502	1.229	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCc3nccn32)C[C@H]1C	ZINC001104290471	773813795	/nfs/dbraw/zinc/81/37/95/773813795.db2.gz	ABKGDXFINUSKDE-KURKYZTESA-N	1	0	358.486	1.485	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)c1	ZINC000785008766	773875833	/nfs/dbraw/zinc/87/58/33/773875833.db2.gz	ZVFAGZUIPOISLX-UHFFFAOYSA-N	1	0	355.438	1.724	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1C	ZINC001104295920	773991500	/nfs/dbraw/zinc/99/15/00/773991500.db2.gz	XCPMRTUTNSOHIH-BRWVUGGUSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)OCCC(C)C)C2	ZINC001111488258	774186676	/nfs/dbraw/zinc/18/66/76/774186676.db2.gz	DFPICSAIVRKHSJ-VQHPVUNQSA-N	1	0	351.491	1.461	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)CCC(C)C)C1	ZINC001111584130	774191792	/nfs/dbraw/zinc/19/17/92/774191792.db2.gz	GOKDWAJATNYQFD-KXBFYZLASA-N	1	0	364.490	1.405	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCSC)C2)C1=O	ZINC001111584179	774226565	/nfs/dbraw/zinc/22/65/65/774226565.db2.gz	IJZPPPIURIFVTG-DAYGRLMNSA-N	1	0	351.516	1.497	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccccn2)C1	ZINC001104306140	774440410	/nfs/dbraw/zinc/44/04/10/774440410.db2.gz	MUMJPZXSRMJDCD-GGPKGHCWSA-N	1	0	354.498	1.753	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cn(C)nc2C)C1	ZINC001104306305	774443326	/nfs/dbraw/zinc/44/33/26/774443326.db2.gz	WUNOPEFCBSHNRJ-POAQFYNOSA-N	1	0	371.529	1.400	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(S(C)(=O)=O)o1	ZINC001087136259	774681600	/nfs/dbraw/zinc/68/16/00/774681600.db2.gz	PJONMANIHWLDSR-RDBSUJKOSA-N	1	0	367.471	1.559	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccc1F	ZINC000275946606	774747843	/nfs/dbraw/zinc/74/78/43/774747843.db2.gz	YNEFAPJTFFNZKZ-DLBZAZTESA-N	1	0	374.416	1.130	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N[C@H](CO)c1ccccc1I	ZINC000891323381	774856476	/nfs/dbraw/zinc/85/64/76/774856476.db2.gz	ZQTCDYPVLZVYMT-CYBMUJFWSA-N	1	0	374.222	1.559	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCc3ccc(C#N)cc32)[C@H](C)C1	ZINC000275987766	774859901	/nfs/dbraw/zinc/85/99/01/774859901.db2.gz	IDTDTJOSAWPBND-RHSMWYFYSA-N	1	0	354.454	1.636	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2cncs2)C[C@H]1C	ZINC001104324258	774987583	/nfs/dbraw/zinc/98/75/83/774987583.db2.gz	XAUZDXBZDVLYIZ-QLFBSQMISA-N	1	0	364.515	1.451	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2ccnnc2)C1=O	ZINC001087218008	783225579	/nfs/dbraw/zinc/22/55/79/783225579.db2.gz	MMZKYUJTMDTKMX-HYVNUMGLSA-N	1	0	357.458	1.094	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C)CCCC1)C2	ZINC001112500919	775011303	/nfs/dbraw/zinc/01/13/03/775011303.db2.gz	YQVKLUHTAFIPSL-FIKGOQFSSA-N	1	0	359.514	1.923	20	30		FDEDRO
N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1)CC2	ZINC000276023855	775254898	/nfs/dbraw/zinc/25/48/98/775254898.db2.gz	NQASPTIDUXQFDP-KRWDZBQOSA-N	1	0	352.438	1.534	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC(=O)NC)C1	ZINC001104731468	790391698	/nfs/dbraw/zinc/39/16/98/790391698.db2.gz	JXGMWSHBQDHALN-QLFBSQMISA-N	1	0	366.506	1.507	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H](C[NH2+]C[C@H]2CCNC(=O)CC2)C1	ZINC001087150575	775981317	/nfs/dbraw/zinc/98/13/17/775981317.db2.gz	DXMZCCBPNZUEOP-INMHGKMJSA-N	1	0	371.485	1.633	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cn3c(n2)C[C@H](OC)CC3)C[C@H]1C	ZINC001104345109	776016262	/nfs/dbraw/zinc/01/62/62/776016262.db2.gz	AWMJXNBQTFKKGR-BRWVUGGUSA-N	1	0	358.486	1.555	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C[C@H]1C	ZINC001104352232	776605458	/nfs/dbraw/zinc/60/54/58/776605458.db2.gz	KVAQSTGTMGFCAH-TUVASFSCSA-N	1	0	364.408	1.983	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2nccnc2N)C1	ZINC001075420071	776764366	/nfs/dbraw/zinc/76/43/66/776764366.db2.gz	MCYMUPJIDBSTSK-NVXWUHKLSA-N	1	0	367.428	1.667	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cc1	ZINC000892714538	790488335	/nfs/dbraw/zinc/48/83/35/790488335.db2.gz	QGUMHQACJYLOAC-QZTJIDSGSA-N	1	0	358.442	1.330	20	30		FDEDRO
C=C(C)C[C@H](CO)NC(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1	ZINC000891406915	776912237	/nfs/dbraw/zinc/91/22/37/776912237.db2.gz	MBOCSQVXNFKUHQ-QGZVFWFLSA-N	1	0	374.485	1.210	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]C[C@H](O)COC)C2)cc1	ZINC001112505990	777467928	/nfs/dbraw/zinc/46/79/28/777467928.db2.gz	UAXUDBWWCMESHV-ZJOUEHCJSA-N	1	0	356.466	1.507	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccco2)C[C@H]1c1ccccc1	ZINC001211517225	777676418	/nfs/dbraw/zinc/67/64/18/777676418.db2.gz	RTKUTNZLDYJVSO-DLBZAZTESA-N	1	0	351.406	1.227	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC2CC(F)(F)C2)C[C@H]1C	ZINC001104365040	777751599	/nfs/dbraw/zinc/75/15/99/777751599.db2.gz	RFTOOYKLMQSDHQ-UKRRQHHQSA-N	1	0	357.445	1.798	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(OC)ccn1)C2	ZINC001112506623	777840472	/nfs/dbraw/zinc/84/04/72/777840472.db2.gz	WKVZLYLZBNBVJR-JXFKEZNVSA-N	1	0	357.454	1.572	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncnn2CC(C)C)C1	ZINC001022100013	777920769	/nfs/dbraw/zinc/92/07/69/777920769.db2.gz	WLJOKQLAYFQHRC-TWMKSMIVSA-N	1	0	361.490	1.652	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncc(Cl)n2C)C1	ZINC001022100047	777921502	/nfs/dbraw/zinc/92/15/02/777921502.db2.gz	XPAXIKFXFVLRJO-RQJABVFESA-N	1	0	352.866	1.792	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(F)CCCC2)C[C@H]1C	ZINC001104368740	778043339	/nfs/dbraw/zinc/04/33/39/778043339.db2.gz	JGEOASGQBVDPKG-OWCLPIDISA-N	1	0	351.466	1.481	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CC2(O)CCC2)C1=O	ZINC001087164228	778096043	/nfs/dbraw/zinc/09/60/43/778096043.db2.gz	OBLLLVZUJVPRIH-IXDOHACOSA-N	1	0	363.502	1.295	20	30		FDEDRO
COc1ccc(C[C@@](C)(CO)[NH2+]CC(=O)NCc2cccc(C#N)c2)cc1	ZINC000933425440	778103769	/nfs/dbraw/zinc/10/37/69/778103769.db2.gz	MXSHGQRYKDBDAZ-NRFANRHFSA-N	1	0	367.449	1.766	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1	ZINC000891556010	778304345	/nfs/dbraw/zinc/30/43/45/778304345.db2.gz	CTSBYYQKRLRSEV-ZIAGYGMSSA-N	1	0	355.360	1.977	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)CC2)o1	ZINC000276606431	778376341	/nfs/dbraw/zinc/37/63/41/778376341.db2.gz	OYBIFSKKXGTTQE-SWLSCSKDSA-N	1	0	357.458	1.813	20	30		FDEDRO
C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CCC[C@@](C)(C#N)C2)CC1	ZINC000785071940	778598999	/nfs/dbraw/zinc/59/89/99/778598999.db2.gz	PPPPPPBOJUANNK-FQEVSTJZSA-N	1	0	369.469	1.529	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccn3nnnc3c1)C2	ZINC001112507109	778728998	/nfs/dbraw/zinc/72/89/98/778728998.db2.gz	XFTWRPBRBCBFFI-LPHOPBHVSA-N	1	0	354.458	1.922	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3cn4cccc(C)c4n3)[C@H]2C1	ZINC001083224031	779012403	/nfs/dbraw/zinc/01/24/03/779012403.db2.gz	BKVLHISXMWDZGK-ZWKOTPCHSA-N	1	0	352.438	1.120	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)NCc3nc(C#N)cs3)cn2)CC1	ZINC000891713953	779158428	/nfs/dbraw/zinc/15/84/28/779158428.db2.gz	HTQCZFOSDHGGFT-UHFFFAOYSA-N	1	0	371.470	1.161	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]32)cn1	ZINC001022294426	779192204	/nfs/dbraw/zinc/19/22/04/779192204.db2.gz	GQVPYKXFBQPMGJ-QXAKKESOSA-N	1	0	368.481	1.322	20	30		FDEDRO
C=CCN([C@H](C)COC)S(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C	ZINC000657073572	779274567	/nfs/dbraw/zinc/27/45/67/779274567.db2.gz	NUKDVRHASDMPRB-CYBMUJFWSA-N	1	0	358.508	1.273	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1	ZINC000471854649	779325812	/nfs/dbraw/zinc/32/58/12/779325812.db2.gz	BSNANVWLMUAQKS-UHFFFAOYSA-N	1	0	361.494	1.164	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3[nH]ncc3Br)[C@H]2C1	ZINC001083225843	779439870	/nfs/dbraw/zinc/43/98/70/779439870.db2.gz	QTZYDVRTBWWVCO-NWDGAFQWSA-N	1	0	355.236	1.274	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C[N@@H+](C)CC)C2)c1	ZINC000933797619	779671891	/nfs/dbraw/zinc/67/18/91/779671891.db2.gz	GVTMZFCGLBZOFJ-MRXNPFEDSA-N	1	0	362.495	1.897	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCOCCNC(C)=O)C2	ZINC001111762865	779960560	/nfs/dbraw/zinc/96/05/60/779960560.db2.gz	SJUOLRBLBKWICW-PXNSSMCTSA-N	1	0	365.518	1.712	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1	ZINC000971851368	779987136	/nfs/dbraw/zinc/98/71/36/779987136.db2.gz	OBBWNMGRJOZVPJ-FHLIZLRMSA-N	1	0	369.469	1.434	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(n3cnnn3)CCCCC1)C2	ZINC001112507825	779992679	/nfs/dbraw/zinc/99/26/79/779992679.db2.gz	BLHOTZSJHFVFAT-HKUYNNGSSA-N	1	0	370.501	1.574	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21	ZINC001022423729	780017634	/nfs/dbraw/zinc/01/76/34/780017634.db2.gz	ILRVWFDLMNGUNX-RRQGHBQHSA-N	1	0	355.442	1.044	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccnc2C2CC2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104387171	780215258	/nfs/dbraw/zinc/21/52/58/780215258.db2.gz	JSMKOZCPNARRLH-GDBMZVCRSA-N	1	0	369.469	1.287	20	30		FDEDRO
CN(CC(C)(C)C#N)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000458111433	780513680	/nfs/dbraw/zinc/51/36/80/780513680.db2.gz	UBQVRXPAUVVWEF-UHFFFAOYSA-N	1	0	358.490	1.785	20	30		FDEDRO
Cc1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)c(C)s1	ZINC001104393295	780943540	/nfs/dbraw/zinc/94/35/40/780943540.db2.gz	NXOKFTSMYCLZDA-IUODEOHRSA-N	1	0	362.499	1.693	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1C)C2	ZINC001112508486	781008116	/nfs/dbraw/zinc/00/81/16/781008116.db2.gz	ICZVXCMDGBMHKD-YZLZLFLDSA-N	1	0	360.502	1.623	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cnc3sccn3c2=O)C[C@H]1C	ZINC001104396438	781197839	/nfs/dbraw/zinc/19/78/39/781197839.db2.gz	JZUPAAVZOCFRQK-ZIAGYGMSSA-N	1	0	358.467	1.467	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1c1ccccc1	ZINC001211535383	781232570	/nfs/dbraw/zinc/23/25/70/781232570.db2.gz	CEMROURPJOLECC-UWWQBHOKSA-N	1	0	367.453	1.298	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]32)c1	ZINC001022635451	781685403	/nfs/dbraw/zinc/68/54/03/781685403.db2.gz	SOOMHTYTEJLNIW-RYQLBKOJSA-N	1	0	354.454	1.076	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1	ZINC000892157416	781873301	/nfs/dbraw/zinc/87/33/01/781873301.db2.gz	RFYPGIOZSIXLPO-OAHLLOKOSA-N	1	0	367.375	1.526	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1	ZINC000277796302	783341574	/nfs/dbraw/zinc/34/15/74/783341574.db2.gz	NCACPWPXJOJIOT-GOSISDBHSA-N	1	0	354.454	1.923	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H](C)OC)C[C@H]1c1ccccc1	ZINC001211555063	783512594	/nfs/dbraw/zinc/51/25/94/783512594.db2.gz	LLWZKZCIXCBAJI-BPQIPLTHSA-N	1	0	359.470	1.298	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C(=O)NC)cc2)C1	ZINC000972371822	783527616	/nfs/dbraw/zinc/52/76/16/783527616.db2.gz	BUYZSYDBJBJDNV-QRVBRYPASA-N	1	0	371.481	1.670	20	30		FDEDRO
C=CCOCCC[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000658210314	783741531	/nfs/dbraw/zinc/74/15/31/783741531.db2.gz	PVLSLTFJTVPEHE-MRXNPFEDSA-N	1	0	368.499	1.951	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2nnc(C3CC3)[nH]2)C1	ZINC001024165973	784176959	/nfs/dbraw/zinc/17/69/59/784176959.db2.gz	ZJZNQKNNYXIREG-BMFZPTHFSA-N	1	0	359.474	1.601	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCN1CCCC1=O	ZINC001024443397	784701697	/nfs/dbraw/zinc/70/16/97/784701697.db2.gz	IJSPSHBCTSAQTR-KURKYZTESA-N	1	0	363.502	1.561	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CCN(c3snc(Cl)c3C#N)C2)CC[N@@H+]1C	ZINC001058580419	784825314	/nfs/dbraw/zinc/82/53/14/784825314.db2.gz	NPVUQYSVGPOKPW-OUAUKWLOSA-N	1	0	353.879	1.703	20	30		FDEDRO
CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C	ZINC001024489803	784895630	/nfs/dbraw/zinc/89/56/30/784895630.db2.gz	DVJQIPLXNSWAEH-RCCFBDPRSA-N	1	0	358.486	1.882	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1OC	ZINC000375808861	784959192	/nfs/dbraw/zinc/95/91/92/784959192.db2.gz	DLUKWIMZYGVVBJ-DLBZAZTESA-N	1	0	360.454	1.931	20	30		FDEDRO
C[C@@H]1CN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H](C)[N@H+]1CCO	ZINC000364839933	785201626	/nfs/dbraw/zinc/20/16/26/785201626.db2.gz	OCYCDSJVPKGMOH-JTDSTZFVSA-N	1	0	356.470	1.441	20	30		FDEDRO
C[C@H](CO)[N@@H+]1CCCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000364958530	785243033	/nfs/dbraw/zinc/24/30/33/785243033.db2.gz	ZURAGNCFEHUSGM-APWZRJJASA-N	1	0	356.470	1.442	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1	ZINC001024660410	785648050	/nfs/dbraw/zinc/64/80/50/785648050.db2.gz	OAXHIAXDSWDZDN-QRVBRYPASA-N	1	0	371.481	1.847	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCC)C2)C[C@H]1c1ccccc1	ZINC001211682115	805657526	/nfs/dbraw/zinc/65/75/26/805657526.db2.gz	KSGHTRCVCDZNIP-HSALFYBXSA-N	1	0	367.493	1.852	20	30		FDEDRO
C[C@@H]1CC[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccc(OCC#N)cc4)C[C@H]32)O1	ZINC000978715579	805706789	/nfs/dbraw/zinc/70/67/89/805706789.db2.gz	FGTCPFIMFIBQDN-MRBRGOBGSA-N	1	0	369.465	1.950	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cc(OC)ccn3)C[C@H]21	ZINC000978715530	805706914	/nfs/dbraw/zinc/70/69/14/805706914.db2.gz	IHWGPBKDOLDDDF-QQXKLLMISA-N	1	0	357.454	1.475	20	30		FDEDRO
N#Cc1cccc(CN2C[C@H]3OCCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)c1	ZINC001083275114	786932086	/nfs/dbraw/zinc/93/20/86/786932086.db2.gz	OSEKKRZQVFQLBS-RBUKOAKNSA-N	1	0	354.454	1.066	20	30		FDEDRO
COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cnc3ccc(C#N)cn23)C1	ZINC000511475828	786973511	/nfs/dbraw/zinc/97/35/11/786973511.db2.gz	FXJCSYYGDIQUMU-GOEBONIOSA-N	1	0	355.442	1.569	20	30		FDEDRO
CNC(=O)CN1CCC(NC(=O)N[C@H](CCCC#N)c2ccccc2)CC1	ZINC000431823254	787069909	/nfs/dbraw/zinc/06/99/09/787069909.db2.gz	KYRRPUYHQPHCEH-GOSISDBHSA-N	1	0	371.485	1.931	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1c1ccccc1	ZINC001211639631	787084390	/nfs/dbraw/zinc/08/43/90/787084390.db2.gz	DOXXOVUUWDHXNC-DLBZAZTESA-N	1	0	351.406	1.600	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)CC1	ZINC001025000999	787125542	/nfs/dbraw/zinc/12/55/42/787125542.db2.gz	KIMFGYZOUMXOLI-IAGOWNOFSA-N	1	0	363.502	1.295	20	30		FDEDRO
N#CCNC(=O)CNC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21	ZINC000376416069	787682511	/nfs/dbraw/zinc/68/25/11/787682511.db2.gz	XKNTVHNLULEWDI-KZNAEPCWSA-N	1	0	369.469	1.226	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1C[C@H]1C(N)=O	ZINC001025084016	787773620	/nfs/dbraw/zinc/77/36/20/787773620.db2.gz	MBEIJQNJTMLCRC-ZACQAIPSSA-N	1	0	370.453	1.159	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1CC[NH2+]Cc1ccccc1C#N	ZINC001104558301	787840702	/nfs/dbraw/zinc/84/07/02/787840702.db2.gz	CYXOWCFJKDJPOL-LZQZEXGQSA-N	1	0	368.481	1.611	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1	ZINC000978851430	805829853	/nfs/dbraw/zinc/82/98/53/805829853.db2.gz	CHDCYLKYMWXUJS-ZMMAXQRCSA-N	1	0	363.502	1.465	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCCc2c[nH]nn2)C[C@H]1c1ccccc1	ZINC001211642543	788053058	/nfs/dbraw/zinc/05/30/58/788053058.db2.gz	IHYRNMSWULWQHR-RBUKOAKNSA-N	1	0	351.454	1.735	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2COCCN2C2CCCC2)C[C@H]1C	ZINC001104577522	788348818	/nfs/dbraw/zinc/34/88/18/788348818.db2.gz	ROQUYENNFBDFDG-QWFCFKBJSA-N	1	0	361.530	1.727	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2COCCN2C2CCCC2)C[C@H]1C	ZINC001104577549	788350347	/nfs/dbraw/zinc/35/03/47/788350347.db2.gz	SXELJDMCXLLMLB-QWFCFKBJSA-N	1	0	361.530	1.727	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C1	ZINC000973271413	788461946	/nfs/dbraw/zinc/46/19/46/788461946.db2.gz	ZFUYXLZGSNRCCK-DWRORGKVSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1	ZINC000973323812	788555351	/nfs/dbraw/zinc/55/53/51/788555351.db2.gz	LSCPWDFOQZWRNF-DWRORGKVSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1	ZINC000973325483	788612227	/nfs/dbraw/zinc/61/22/27/788612227.db2.gz	ANBRRLRPVMFHSJ-TVFCKZIOSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CN(C(C)C)CCO2)C[C@H]1C	ZINC001104580793	788693872	/nfs/dbraw/zinc/69/38/72/788693872.db2.gz	IUKJOYHYFXRFFM-DJIMGWMZSA-N	1	0	357.926	1.922	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cnc(C)n2C)C[C@H]1C	ZINC001104585589	788721632	/nfs/dbraw/zinc/72/16/32/788721632.db2.gz	MYVXIEKVIOLRFX-IJEWVQPXSA-N	1	0	361.490	1.107	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1	ZINC000973437220	789009189	/nfs/dbraw/zinc/00/91/89/789009189.db2.gz	PMIXWDVRGNAQKW-DZVNLGKHSA-N	1	0	363.502	1.461	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@H]1c1ccccc1	ZINC001211688211	805940681	/nfs/dbraw/zinc/94/06/81/805940681.db2.gz	QYSRLBWAQNMUKV-GBESFXJTSA-N	1	0	371.481	1.442	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cn(C)nn3)C2)c1	ZINC001104659218	789180744	/nfs/dbraw/zinc/18/07/44/789180744.db2.gz	FMVYOIBRYNPNCW-GDBMZVCRSA-N	1	0	352.442	1.079	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnnn3CC)C2)c1	ZINC001104659235	789181038	/nfs/dbraw/zinc/18/10/38/789181038.db2.gz	GGEVOTOELLLQNG-NVXWUHKLSA-N	1	0	366.469	1.562	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nonc3C)C2)c1	ZINC001104659433	789181731	/nfs/dbraw/zinc/18/17/31/789181731.db2.gz	KWFFRTZDJFOFGX-CZUORRHYSA-N	1	0	353.426	1.642	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnn(CC)n3)C2)c1	ZINC001104659513	789182007	/nfs/dbraw/zinc/18/20/07/789182007.db2.gz	NTBUXQQILNUTFO-NVXWUHKLSA-N	1	0	366.469	1.562	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C(C)C)C2)c1	ZINC001104659695	789210100	/nfs/dbraw/zinc/21/01/00/789210100.db2.gz	UEDSXZVVFBFQEK-SJLPKXTDSA-N	1	0	370.497	1.618	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)Oc2cccnc2)C[C@H]1C	ZINC001104664218	789227045	/nfs/dbraw/zinc/22/70/45/789227045.db2.gz	XONRSQTXPRDANG-KZNAEPCWSA-N	1	0	359.470	1.573	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCNC(=O)C(C)(C)C)C[C@H]1c1ccccc1	ZINC001211646747	789245930	/nfs/dbraw/zinc/24/59/30/789245930.db2.gz	IQZCDLWAURPUIE-ZWKOTPCHSA-N	1	0	355.482	1.756	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccn(C)c2CC)C[C@H]1C	ZINC001104680001	789310185	/nfs/dbraw/zinc/31/01/85/789310185.db2.gz	NTEYCFFBCKRZCI-HZPDHXFCSA-N	1	0	360.502	1.578	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CC[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001104686569	789376934	/nfs/dbraw/zinc/37/69/34/789376934.db2.gz	ILBIYCZABHKSCU-WNOSKKOXSA-N	1	0	372.444	1.393	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CC[NH2+]CC#Cc1ccccc1	ZINC001104686718	789378044	/nfs/dbraw/zinc/37/80/44/789378044.db2.gz	MDNHYUFWKYWOGE-OWYHZJEWSA-N	1	0	353.466	1.234	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCOC)C1	ZINC001104704150	789552301	/nfs/dbraw/zinc/55/23/01/789552301.db2.gz	KHXDGEPBTRACAK-TVFCKZIOSA-N	1	0	354.491	1.315	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1	ZINC000659721027	789569840	/nfs/dbraw/zinc/56/98/40/789569840.db2.gz	XJSLTXWHOQPVFT-SFHVURJKSA-N	1	0	355.438	1.665	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)Cc3ccc(OC)cc3)[C@H]2C1	ZINC001083281529	789632723	/nfs/dbraw/zinc/63/27/23/789632723.db2.gz	QRLZGGXQFLIEML-LSTHTHJFSA-N	1	0	356.466	1.809	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1	ZINC000979044864	805996511	/nfs/dbraw/zinc/99/65/11/805996511.db2.gz	GEGYDPBNUBFMOV-YVSFHVDLSA-N	1	0	361.486	1.074	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1	ZINC000415005080	791198383	/nfs/dbraw/zinc/19/83/83/791198383.db2.gz	OTTRJUNQDQUMCV-HNNXBMFYSA-N	1	0	373.457	1.664	20	30		FDEDRO
C[C@@H]1CN(CC(=O)NC2(C#N)CCCCC2)CCN1C1CC[NH+](C)CC1	ZINC000377177618	791200151	/nfs/dbraw/zinc/20/01/51/791200151.db2.gz	FVMIDBBBKAGMFH-QGZVFWFLSA-N	1	0	361.534	1.429	20	30		FDEDRO
C[C@H]1CN(CC(=O)NC2(C#N)CCCCC2)CCN1C1CC[NH+](C)CC1	ZINC000377177617	791200392	/nfs/dbraw/zinc/20/03/92/791200392.db2.gz	FVMIDBBBKAGMFH-KRWDZBQOSA-N	1	0	361.534	1.429	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC[C@@H]2CCCCO2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104744501	791222209	/nfs/dbraw/zinc/22/22/09/791222209.db2.gz	OJTBEJIWKMFFMW-ZACQAIPSSA-N	1	0	364.490	1.050	20	30		FDEDRO
N#Cc1cc(NC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)ccc1F	ZINC000415136807	791478726	/nfs/dbraw/zinc/47/87/26/791478726.db2.gz	SIHUDUXXRLJCAV-WBVHZDCISA-N	1	0	359.405	1.466	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2	ZINC000415200883	791633401	/nfs/dbraw/zinc/63/34/01/791633401.db2.gz	CCAMDQWLKFCTFR-GUYCJALGSA-N	1	0	359.426	1.205	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3ccc(C[NH3+])cc3)C2)nc1	ZINC000415267938	791791694	/nfs/dbraw/zinc/79/16/94/791791694.db2.gz	NFVPVLIXEXJHAC-INIZCTEOSA-N	1	0	365.393	1.030	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](c2ccc(OC)nc2)C2CC2)CC1	ZINC000636675756	806103312	/nfs/dbraw/zinc/10/33/12/806103312.db2.gz	AAAQOHHFVPFLGS-GOSISDBHSA-N	1	0	372.469	1.424	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2cccc3c2CCOC3)CC1	ZINC000636676116	806112079	/nfs/dbraw/zinc/11/20/79/806112079.db2.gz	DPDZVAMEYQDATB-UHFFFAOYSA-N	1	0	357.454	1.142	20	30		FDEDRO
C[NH2+]CCNC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1	ZINC000415359108	792062439	/nfs/dbraw/zinc/06/24/39/792062439.db2.gz	JOCALMFPYMBPSZ-UHFFFAOYSA-N	1	0	368.441	1.316	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@@H](CC(N)=O)C1	ZINC000377542569	792164097	/nfs/dbraw/zinc/16/40/97/792164097.db2.gz	JGRQJDDLYABFOI-GJZGRUSLSA-N	1	0	358.442	1.528	20	30		FDEDRO
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N(C)[C@@H](C)C[NH3+]	ZINC000415418437	792232773	/nfs/dbraw/zinc/23/27/73/792232773.db2.gz	OQQPNRVSTBKATA-ZDUSSCGKSA-N	1	0	367.409	1.798	20	30		FDEDRO
C=CCOc1ccc(C[NH2+]C2CCN(c3nnnn3C)CC2)cc1OC	ZINC000377577298	792255649	/nfs/dbraw/zinc/25/56/49/792255649.db2.gz	NOTOYLZYYFKUJF-UHFFFAOYSA-N	1	0	358.446	1.542	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1	ZINC000415432076	792259230	/nfs/dbraw/zinc/25/92/30/792259230.db2.gz	FLNOBPLAQFEDLU-TZMCWYRMSA-N	1	0	356.405	2.474	20	30		FDEDRO
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCCO[C@H](C[NH3+])C2)n1	ZINC000415434406	792262505	/nfs/dbraw/zinc/26/25/05/792262505.db2.gz	ALEBYFKSIGBGEQ-CQSZACIVSA-N	1	0	374.832	1.979	20	30		FDEDRO
N#Cc1ccccc1OCC[N@H+]1CCCN(c2ncccc2C(N)=O)CC1	ZINC000377580107	792263489	/nfs/dbraw/zinc/26/34/89/792263489.db2.gz	GZFHDFLLAJRKGB-UHFFFAOYSA-N	1	0	365.437	1.643	20	30		FDEDRO
C=CCCn1cc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)nn1	ZINC000644574166	792326138	/nfs/dbraw/zinc/32/61/38/792326138.db2.gz	JFEMOFCWRLYSSV-UHFFFAOYSA-N	1	0	354.458	1.854	20	30		FDEDRO
COc1ccc(C#N)cc1CN1C[C@@H](NC(=O)Cc2cccs2)[C@@H](O)C1	ZINC001083312148	806149656	/nfs/dbraw/zinc/14/96/56/806149656.db2.gz	ZODVXMXZEDPWEF-SJORKVTESA-N	1	0	371.462	1.532	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)N2CCCN(c3ccc(C#N)cc3)CC2)C1	ZINC000377762642	792751022	/nfs/dbraw/zinc/75/10/22/792751022.db2.gz	QGGCVMFMTBKVMV-GOSISDBHSA-N	1	0	371.485	1.501	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N(CC[NH3+])CCc1ccccc1	ZINC000415687701	792814546	/nfs/dbraw/zinc/81/45/46/792814546.db2.gz	FSSAQBLJYMZHAO-UHFFFAOYSA-N	1	0	350.422	1.835	20	30		FDEDRO
C=C(C)COc1cccc(NC(=O)C(=O)NC[C@]2(COC)CCC[NH2+]2)c1	ZINC000415707656	792847244	/nfs/dbraw/zinc/84/72/44/792847244.db2.gz	MXRSFCFHVBITKI-IBGZPJMESA-N	1	0	361.442	1.465	20	30		FDEDRO
O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1	ZINC000415751097	792910205	/nfs/dbraw/zinc/91/02/05/792910205.db2.gz	VOYWIEXIIXLEQB-MSOLQXFVSA-N	1	0	374.444	1.488	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1	ZINC000415747050	792919486	/nfs/dbraw/zinc/91/94/86/792919486.db2.gz	OJECQKKFEVLRBL-HUUCEWRRSA-N	1	0	356.426	1.376	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1	ZINC000415757012	792927859	/nfs/dbraw/zinc/92/78/59/792927859.db2.gz	BMHRCOHNUVYWBY-CABCVRRESA-N	1	0	356.426	1.494	20	30		FDEDRO
C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@]3(C)C[C@@H]3c3ccccc3)C2)nn1	ZINC001105342847	806218287	/nfs/dbraw/zinc/21/82/87/806218287.db2.gz	ZXAKZLONSNBQKH-CTNGQTDRSA-N	1	0	363.465	1.968	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)cc1	ZINC000415875380	793250453	/nfs/dbraw/zinc/25/04/53/793250453.db2.gz	YUEMIKNIKXMBBX-HNNXBMFYSA-N	1	0	359.430	1.191	20	30		FDEDRO
C=CCNC(=O)CN1CCN(C(=O)Nc2ccccc2C[NH2+]CC)CC1	ZINC000415938735	793410095	/nfs/dbraw/zinc/41/00/95/793410095.db2.gz	AUCJOLYZEULPQR-UHFFFAOYSA-N	1	0	359.474	1.248	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)COc3ccc(F)c(F)c3)[C@H]2C1	ZINC001083290543	793441704	/nfs/dbraw/zinc/44/17/04/793441704.db2.gz	GXQRFDFRFLNLCD-DLBZAZTESA-N	1	0	352.381	1.831	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cc(COC)on2)C[C@H]1C	ZINC001104761389	793532045	/nfs/dbraw/zinc/53/20/45/793532045.db2.gz	ICIPNEAMZKHDPL-HUUCEWRRSA-N	1	0	351.447	1.711	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](NC(=O)COC)C(C)C)C[C@H]1C	ZINC001104761544	793532434	/nfs/dbraw/zinc/53/24/34/793532434.db2.gz	OHIQRVLYJPRCLL-NUJGCVRESA-N	1	0	353.507	1.424	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCCCCOC)C2)nn1	ZINC001104769154	793554845	/nfs/dbraw/zinc/55/48/45/793554845.db2.gz	GLPVPCBNBAIMEQ-IAGOWNOFSA-N	1	0	363.506	1.969	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC2)C[C@H]1C	ZINC001104777418	793599029	/nfs/dbraw/zinc/59/90/29/793599029.db2.gz	JTZRQNWNVGXWTM-OQIJWPOYSA-N	1	0	374.529	1.869	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@H]1C(F)(F)F	ZINC001112053043	793858556	/nfs/dbraw/zinc/85/85/56/793858556.db2.gz	PCRCRGHHQSIPKB-VXGBXAGGSA-N	1	0	351.394	1.425	20	30		FDEDRO
N#Cc1cccc(-n2ccc(C(=O)NC[C@H]3CCC[N@H+]3CCCO)n2)c1	ZINC000452360374	793918375	/nfs/dbraw/zinc/91/83/75/793918375.db2.gz	IRUCXNPYHCZXMH-QGZVFWFLSA-N	1	0	353.426	1.321	20	30		FDEDRO
N#Cc1cccc([C@@H]2CN(C(=O)NCCCC[NH+]3CCOCC3)CCO2)c1	ZINC000378319334	793940820	/nfs/dbraw/zinc/94/08/20/793940820.db2.gz	ZFGOQAVCBYCESC-IBGZPJMESA-N	1	0	372.469	1.754	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2nc(C)oc2C)C[C@H]1C	ZINC001104831224	793959295	/nfs/dbraw/zinc/95/92/95/793959295.db2.gz	UZKUDSXLMYAJOY-XJKCOSOUSA-N	1	0	362.474	1.670	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(CCC)on2)C[C@H]1C	ZINC001104860071	794103042	/nfs/dbraw/zinc/10/30/42/794103042.db2.gz	PCIPNRXTUCKBMN-HUUCEWRRSA-N	1	0	360.458	1.064	20	30		FDEDRO
Cc1cc(NCC[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)n2ncnc2n1	ZINC000378456601	794172672	/nfs/dbraw/zinc/17/26/72/794172672.db2.gz	PALLVIQQPOSFPY-JONQDZQNSA-N	1	0	355.446	1.674	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(NC(C)=O)c(F)c3)[C@H]2C1	ZINC001083293249	794232946	/nfs/dbraw/zinc/23/29/46/794232946.db2.gz	UWXUOEADXPHGLL-ZWKOTPCHSA-N	1	0	359.401	1.333	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)CCC(=O)NCCCOC)C[C@H]1C	ZINC001104892649	794241355	/nfs/dbraw/zinc/24/13/55/794241355.db2.gz	HGVDQUXRGODKFH-IAGOWNOFSA-N	1	0	351.491	1.017	20	30		FDEDRO
Cc1cc(NC(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)nn1CCC#N	ZINC000378525338	794271180	/nfs/dbraw/zinc/27/11/80/794271180.db2.gz	XPXZEADBBYFLSS-INIZCTEOSA-N	1	0	373.505	1.737	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2coc(CCC)n2)C[C@H]1C	ZINC001104904760	794313056	/nfs/dbraw/zinc/31/30/56/794313056.db2.gz	JVPCDOIOSKAPHJ-HUUCEWRRSA-N	1	0	362.474	1.617	20	30		FDEDRO
CCNC(=O)CCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C1	ZINC001104917874	794369520	/nfs/dbraw/zinc/36/95/20/794369520.db2.gz	QCJSNBWWLKLBRK-IAGOWNOFSA-N	1	0	351.491	1.017	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)Oc2ccccn2)C[C@H]1C	ZINC001104914560	794373181	/nfs/dbraw/zinc/37/31/81/794373181.db2.gz	RZEMYKHFGYMXOW-KZNAEPCWSA-N	1	0	359.470	1.573	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cn(CC)cn2)C[C@H]1C	ZINC001104914436	794373272	/nfs/dbraw/zinc/37/32/72/794373272.db2.gz	MUXYRPGQVRAADM-OWCLPIDISA-N	1	0	361.490	1.282	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)NC3=O)C[C@H]1C	ZINC001104923557	794417787	/nfs/dbraw/zinc/41/77/87/794417787.db2.gz	JOLBEJDZTKQJKC-UKRRQHHQSA-N	1	0	355.438	1.834	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C3CC3)C2)nc1	ZINC001104924468	794421561	/nfs/dbraw/zinc/42/15/61/794421561.db2.gz	NXBAGMRRBSGZFH-NVXWUHKLSA-N	1	0	368.481	1.372	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ccnn3C)C2)nc1	ZINC001104924986	794423462	/nfs/dbraw/zinc/42/34/62/794423462.db2.gz	WHUNPXWHDBGSJF-NVXWUHKLSA-N	1	0	351.454	1.684	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C(C)C)C2)cn1	ZINC001104927285	794428286	/nfs/dbraw/zinc/42/82/86/794428286.db2.gz	AOSOLCKICWKXFQ-SJLPKXTDSA-N	1	0	370.497	1.618	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(C)(C)C)C2)cn1	ZINC001104927707	794435271	/nfs/dbraw/zinc/43/52/71/794435271.db2.gz	PXZAGVIQICEVJK-NVXWUHKLSA-N	1	0	370.497	1.665	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC(C)C)C2)cn1	ZINC001104927737	794435798	/nfs/dbraw/zinc/43/57/98/794435798.db2.gz	RAMOPOGRIXATHE-SJLPKXTDSA-N	1	0	370.497	1.523	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cn2nc(C)ccc2=O)C[C@H]1C	ZINC001104935547	794465686	/nfs/dbraw/zinc/46/56/86/794465686.db2.gz	XDQGPLHOLHJRLI-JFIYKMOQSA-N	1	0	360.502	1.981	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCC)C1	ZINC001104954910	794554029	/nfs/dbraw/zinc/55/40/29/794554029.db2.gz	ZIIFZMJHKUOGIB-YLJYHZDGSA-N	1	0	369.509	1.811	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1	ZINC000974174975	794631060	/nfs/dbraw/zinc/63/10/60/794631060.db2.gz	TVKGWUZRXDVICH-GJGATLCTSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1	ZINC000974174976	794631270	/nfs/dbraw/zinc/63/12/70/794631270.db2.gz	TVKGWUZRXDVICH-LVEJAMMSSA-N	1	0	363.502	1.605	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)c2ccc(F)cc2)C[C@H]1C	ZINC001104976530	794696039	/nfs/dbraw/zinc/69/60/39/794696039.db2.gz	PEYMUWKRHLZVGV-NVXWUHKLSA-N	1	0	359.445	1.653	20	30		FDEDRO
C[C@@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1)c1ccccc1	ZINC001104978776	794720097	/nfs/dbraw/zinc/72/00/97/794720097.db2.gz	GTRJKXZBRCMTNP-YQVWRLOYSA-N	1	0	370.497	1.894	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cccc(F)c2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104981038	794723021	/nfs/dbraw/zinc/72/30/21/794723021.db2.gz	XPWSJXBVRMKGQY-GDBMZVCRSA-N	1	0	360.433	1.082	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)c2ccccc2C)C[C@H]1C	ZINC001104984618	794733768	/nfs/dbraw/zinc/73/37/68/794733768.db2.gz	ABXIDXNNDFOUHN-QZTJIDSGSA-N	1	0	355.482	1.822	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1CC[NH2+]Cc1cc(F)ccc1C#N	ZINC001104986329	794742135	/nfs/dbraw/zinc/74/21/35/794742135.db2.gz	ALVIUGXVXVFSPU-GDBMZVCRSA-N	1	0	370.432	1.563	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2ccccc2C)C[C@H]1C	ZINC001104994439	794765290	/nfs/dbraw/zinc/76/52/90/794765290.db2.gz	PLFYDDXBWJKLTJ-IEBWSBKVSA-N	1	0	355.482	1.361	20	30		FDEDRO
CNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C	ZINC001105044827	795051780	/nfs/dbraw/zinc/05/17/80/795051780.db2.gz	CZQJBORTCXFEPB-ZHALLVOQSA-N	1	0	355.482	1.637	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)c2ccccc2C)C[C@H]1C	ZINC001105050522	795066753	/nfs/dbraw/zinc/06/67/53/795066753.db2.gz	SKORFXNNWYBMEE-GUDVDZBRSA-N	1	0	369.509	1.922	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)c1	ZINC000979611576	806388637	/nfs/dbraw/zinc/38/86/37/806388637.db2.gz	GJNRDBFWMPYTDJ-FMKGYKFTSA-N	1	0	352.398	1.038	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@](C)(NC(C)=O)C(C)C)C[C@H]1C	ZINC001105082662	795179628	/nfs/dbraw/zinc/17/96/28/795179628.db2.gz	MIWPJKBIFMXYLQ-YVWKXTFCSA-N	1	0	365.518	1.261	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C(C)C)C1	ZINC001105085426	795197003	/nfs/dbraw/zinc/19/70/03/795197003.db2.gz	PLWYJGUJJIQTDX-IAGOWNOFSA-N	1	0	353.507	1.520	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)OCCC(C)C)C[C@H]1C	ZINC001105091069	795238901	/nfs/dbraw/zinc/23/89/01/795238901.db2.gz	RJWMEXRAFLKHIA-FGTMMUONSA-N	1	0	365.518	1.261	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)n2nc(C)cc2C)C[C@H]1C	ZINC001105095282	795259047	/nfs/dbraw/zinc/25/90/47/795259047.db2.gz	DDMFNLMLIOOMEQ-ATZDWAIDSA-N	1	0	360.502	1.785	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCC([NH2+]CCN2CCNC2=O)CC1	ZINC001026496125	795456339	/nfs/dbraw/zinc/45/63/39/795456339.db2.gz	MCNHCQBUQUVBOD-BACDZXNISA-N	1	0	364.490	1.010	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CCCC[C@H]3C[NH3+])C2=O)cc1	ZINC000418012588	795461387	/nfs/dbraw/zinc/46/13/87/795461387.db2.gz	SIGZRNRKQCYREG-JQHSSLGASA-N	1	0	369.469	1.870	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC1CCC([NH2+]Cc2ccc(C#N)s2)CC1	ZINC001026509503	795482265	/nfs/dbraw/zinc/48/22/65/795482265.db2.gz	SXFXIRQZRVAFMR-VWLISTAJSA-N	1	0	363.483	1.941	20	30		FDEDRO
C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1	ZINC001026515412	795489825	/nfs/dbraw/zinc/48/98/25/795489825.db2.gz	UQZCIFLXHLWDOL-PQAZSJQKSA-N	1	0	350.381	1.926	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)C2CCCC2)cc1	ZINC000162894030	806425778	/nfs/dbraw/zinc/42/57/78/806425778.db2.gz	QOCQREHKFJTEOC-UHFFFAOYSA-N	1	0	357.454	1.970	20	30		FDEDRO
C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1	ZINC001026558301	795550761	/nfs/dbraw/zinc/55/07/61/795550761.db2.gz	GKXGDKKQUPBQTE-ZGUYJTEBSA-N	1	0	363.502	1.750	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NCCC[NH2+]C2CC2)C[C@@]12C(=O)Nc1ccccc12	ZINC000418293610	795708311	/nfs/dbraw/zinc/70/83/11/795708311.db2.gz	BNWWJIYEQNNNIG-BFUOFWGJSA-N	1	0	353.426	1.184	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cnnn2CC)C[C@H]1C(F)(F)F	ZINC001112096389	795861302	/nfs/dbraw/zinc/86/13/02/795861302.db2.gz	MDNFMGSUENHHBA-VXGBXAGGSA-N	1	0	361.368	1.093	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CCN1Cc1ccccc1	ZINC000418418590	795893484	/nfs/dbraw/zinc/89/34/84/795893484.db2.gz	WLMDBWHZPCHRRM-QRVBRYPASA-N	1	0	355.486	1.923	20	30		FDEDRO
Cc1ccc(-n2nc(CCCNC(=O)NCC3C[NH2+]C3)c(C#N)c2N)cc1	ZINC000418491534	795988836	/nfs/dbraw/zinc/98/88/36/795988836.db2.gz	SAVJPGIGCUQGAD-UHFFFAOYSA-N	1	0	367.457	1.086	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CCCCCF)nn2)C1	ZINC001105328664	796096938	/nfs/dbraw/zinc/09/69/38/796096938.db2.gz	PONVVNLNYPUXFF-SJORKVTESA-N	1	0	365.453	1.482	20	30		FDEDRO
C=CC[C@@]1(C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)CCC[NH2+]1	ZINC000662436208	806602969	/nfs/dbraw/zinc/60/29/69/806602969.db2.gz	NQUSNYUTFXOUID-KRWDZBQOSA-N	1	0	351.472	1.882	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC[N@@H+]1C	ZINC000980113771	806768844	/nfs/dbraw/zinc/76/88/44/806768844.db2.gz	QBUWABVVLCAFDK-UNGSAITNSA-N	1	0	371.485	1.774	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C(C)(C)C1	ZINC000974683654	800081804	/nfs/dbraw/zinc/08/18/04/800081804.db2.gz	CNUSRMRTNZDWLG-KURKYZTESA-N	1	0	358.486	1.738	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(C#N)s3)C2)O1	ZINC001026916832	800176596	/nfs/dbraw/zinc/17/65/96/800176596.db2.gz	PVRARWJEBDQVIV-JKIFEVAISA-N	1	0	362.499	1.277	20	30		FDEDRO
CN(CCN1CC[NH+](Cc2ccccc2)CC1)CC(=O)NC1(C#N)CCC1	ZINC000511809727	800255628	/nfs/dbraw/zinc/25/56/28/800255628.db2.gz	MGPNKMILOXSUIV-UHFFFAOYSA-N	1	0	369.513	1.298	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)cc1	ZINC001026968978	800347629	/nfs/dbraw/zinc/34/76/29/800347629.db2.gz	JDZMQDUJPGOMJI-LWYYNNOASA-N	1	0	369.465	1.548	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)cc1	ZINC001026968977	800347728	/nfs/dbraw/zinc/34/77/28/800347728.db2.gz	JDZMQDUJPGOMJI-FUMNGEBKSA-N	1	0	369.465	1.548	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)CC1(C)C	ZINC000975069068	800820754	/nfs/dbraw/zinc/82/07/54/800820754.db2.gz	ZDLGXXGTCKENPT-SQNIBIBYSA-N	1	0	371.481	1.703	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)C1	ZINC001087429051	806864821	/nfs/dbraw/zinc/86/48/21/806864821.db2.gz	NVHIWEKXKPUWAB-CGTJXYLNSA-N	1	0	369.465	1.684	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1	ZINC000660627440	800849922	/nfs/dbraw/zinc/84/99/22/800849922.db2.gz	SMPUHLGYZWRWOY-MRXNPFEDSA-N	1	0	350.507	1.927	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)C1	ZINC001027075210	800887897	/nfs/dbraw/zinc/88/78/97/800887897.db2.gz	NNCMGRIREWBRCB-KFWWJZLASA-N	1	0	361.490	1.631	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnc3n2CCCC3)C1	ZINC001027075528	800888967	/nfs/dbraw/zinc/88/89/67/800888967.db2.gz	UZUZBPNJQMDAJD-OAGGEKHMSA-N	1	0	359.474	1.144	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)c4nocc4C)[C@@H]3C2)CC1	ZINC000975172117	800953105	/nfs/dbraw/zinc/95/31/05/800953105.db2.gz	LYHFCMCLJWYJPI-IAGOWNOFSA-N	1	0	370.453	1.001	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)C[N@H+]4CCC[C@@H]4C)[C@@H]3C2)nc1	ZINC000975209783	801002310	/nfs/dbraw/zinc/00/23/10/801002310.db2.gz	FZCMJVXWNPUMGZ-KVSKMBFKSA-N	1	0	366.465	1.220	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C(C)(F)F)CC1)C2	ZINC001112530914	806904327	/nfs/dbraw/zinc/90/43/27/806904327.db2.gz	UVAYIOOVQAIQFH-KSSFIOAISA-N	1	0	367.440	1.390	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1	ZINC000660865708	801867133	/nfs/dbraw/zinc/86/71/33/801867133.db2.gz	TYHHKTUYPQIQAS-ROUUACIJSA-N	1	0	350.507	1.391	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]32)CC[N@@H+]1C	ZINC000975669354	801898560	/nfs/dbraw/zinc/89/85/60/801898560.db2.gz	BZQWHXRAJJJHER-NONVJHHQSA-N	1	0	369.469	1.290	20	30		FDEDRO
COc1ccc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)c(O)c1OC	ZINC000893598866	806952524	/nfs/dbraw/zinc/95/25/24/806952524.db2.gz	XJAAVOFWLPRYPQ-UHFFFAOYSA-N	1	0	354.410	1.998	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)CCC[NH2+]1	ZINC000662683133	806961477	/nfs/dbraw/zinc/96/14/77/806961477.db2.gz	ORCITQLEQYANHV-YLJYHZDGSA-N	1	0	362.518	1.230	20	30		FDEDRO
CC[C@@H](C(=O)N1CC[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@H]2C1)[NH+](C)C	ZINC000975819607	802513591	/nfs/dbraw/zinc/51/35/91/802513591.db2.gz	FRRJJXJOSAAKIQ-JQFCIGGWSA-N	1	0	357.458	1.290	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CCN(C(=O)[C@H]4CCC[N@H+]4C)[C@H]3C2)nc1	ZINC000975832877	802545426	/nfs/dbraw/zinc/54/54/26/802545426.db2.gz	FHJSBAKTKXXUFL-UHOSZYNNSA-N	1	0	366.465	1.220	20	30		FDEDRO
C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)c1c(N)n(CCOC)c(=O)[nH]c1=O	ZINC000661117562	802755085	/nfs/dbraw/zinc/75/50/85/802755085.db2.gz	SATFQIVNNFPDRG-STQMWFEESA-N	1	0	364.446	1.085	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@H]3C2)C1	ZINC000976025646	802863792	/nfs/dbraw/zinc/86/37/92/802863792.db2.gz	RRHWCNNRRFXDER-MPGHIAIKSA-N	1	0	369.469	1.291	20	30		FDEDRO
CC1(C)CC[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)C1	ZINC001112525147	803424756	/nfs/dbraw/zinc/42/47/56/803424756.db2.gz	BPIPTNNMORDRJB-FTRWYGJKSA-N	1	0	360.502	1.671	20	30		FDEDRO
C=CCCS(=O)(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21	ZINC000651841726	803462231	/nfs/dbraw/zinc/46/22/31/803462231.db2.gz	YUJYAYMGLGTBCU-QZTJIDSGSA-N	1	0	350.484	1.868	20	30		FDEDRO
CC(C)(C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(C#N)c1)[NH+]1CCCC1	ZINC000976554283	803515867	/nfs/dbraw/zinc/51/58/67/803515867.db2.gz	WEFCFRMBDIDARY-IAGOWNOFSA-N	1	0	371.485	1.918	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@]23CC[N@H+](C2)CCC3)c[nH]1	ZINC000976555010	803516731	/nfs/dbraw/zinc/51/67/31/803516731.db2.gz	ABPLRHDDZIVLCW-HLIPFELVSA-N	1	0	369.469	1.529	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC000976560843	803526616	/nfs/dbraw/zinc/52/66/16/803526616.db2.gz	WPJWIXZQGSMEQP-KURKYZTESA-N	1	0	371.485	1.918	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccc(=O)[nH]n2)C1	ZINC001087420005	803894914	/nfs/dbraw/zinc/89/49/14/803894914.db2.gz	GUGUNONANVWSSJ-SJLPKXTDSA-N	1	0	350.422	1.793	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[C@H]2CC)CC1	ZINC000976815045	803944640	/nfs/dbraw/zinc/94/46/40/803944640.db2.gz	CSFZPEJDGMUSRK-NXWXRZEISA-N	1	0	359.514	1.921	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1	ZINC000423173276	814987653	/nfs/dbraw/zinc/98/76/53/814987653.db2.gz	XUGWTZFEKOUHBD-WDSOQIARSA-N	1	0	371.481	1.796	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1	ZINC000423179812	814990519	/nfs/dbraw/zinc/99/05/19/814990519.db2.gz	AEZQJYNDHVEVET-ROUUACIJSA-N	1	0	352.438	1.141	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1	ZINC000423193601	814997000	/nfs/dbraw/zinc/99/70/00/814997000.db2.gz	XLZMYCXVNDVGNP-YJBOKZPZSA-N	1	0	354.454	1.659	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@H+](C)C[C@@H]2COCCO2)c(OC)c1	ZINC000661607197	804244114	/nfs/dbraw/zinc/24/41/14/804244114.db2.gz	QBNFJPSBFKDPDI-DLBZAZTESA-N	1	0	351.443	1.511	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[N@H+](CCn2cncn2)CC1(C)C	ZINC000977292031	804701628	/nfs/dbraw/zinc/70/16/28/804701628.db2.gz	KPEYBVIQRAYATA-ULQDDVLXSA-N	1	0	361.490	1.476	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)C1	ZINC000662960611	804736849	/nfs/dbraw/zinc/73/68/49/804736849.db2.gz	PADNTTRHAZMEOZ-KBAYOESNSA-N	1	0	363.502	1.546	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC000977797369	804953681	/nfs/dbraw/zinc/95/36/81/804953681.db2.gz	GBYPNQBPDBEUKY-BRWVUGGUSA-N	1	0	358.486	1.687	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)CN1CCN(c2ccccn2)CC1	ZINC000162817654	805086446	/nfs/dbraw/zinc/08/64/46/805086446.db2.gz	ZADXCLJLDNOBEQ-GOSISDBHSA-N	1	0	358.486	1.481	20	30		FDEDRO
CC(C)C[C@@H](CNC(=O)NCC(=O)NCC#N)[NH2+][C@H](C)c1ccccc1	ZINC000511907545	805288219	/nfs/dbraw/zinc/28/82/19/805288219.db2.gz	SPNAUJLRQGPBRY-WBVHZDCISA-N	1	0	359.474	1.691	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1	ZINC001167913516	807012609	/nfs/dbraw/zinc/01/26/09/807012609.db2.gz	QVABQPYRQFHYFF-JCGIZDLHSA-N	1	0	359.470	1.585	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1	ZINC000423463791	815090798	/nfs/dbraw/zinc/09/07/98/815090798.db2.gz	VHOHZLZHQOBDMS-QGZVFWFLSA-N	1	0	359.470	1.685	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccc(=O)n(C)c2)C1	ZINC001087432029	807205687	/nfs/dbraw/zinc/20/56/87/807205687.db2.gz	VNOJTCDDJGMZJA-WOJBJXKFSA-N	1	0	363.461	1.997	20	30		FDEDRO
C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1	ZINC000423530601	815102517	/nfs/dbraw/zinc/10/25/17/815102517.db2.gz	RKLHILWTXRUSNX-FGTMMUONSA-N	1	0	354.454	1.495	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1	ZINC000423521630	815111411	/nfs/dbraw/zinc/11/14/11/815111411.db2.gz	GIMDLHAYDFFBOO-DZOHQFGASA-N	1	0	354.454	1.480	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2coc(C(N)=O)c2)C1	ZINC001087433534	807596932	/nfs/dbraw/zinc/59/69/32/807596932.db2.gz	VMMVAFSNCVLHCD-QZTJIDSGSA-N	1	0	365.433	1.990	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)N3CCC[C@H](CC[NH3+])C3)CC2)cc1	ZINC000423555718	815132715	/nfs/dbraw/zinc/13/27/15/815132715.db2.gz	KJKAYDGLZLOAKI-QGZVFWFLSA-N	1	0	366.465	1.761	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1	ZINC000981179205	807656928	/nfs/dbraw/zinc/65/69/28/807656928.db2.gz	CPXRIQNHGUUAOG-SOUVJXGZSA-N	1	0	357.458	1.243	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C2CC2)cc1	ZINC000423569434	815140157	/nfs/dbraw/zinc/14/01/57/815140157.db2.gz	MLMNFCKTEKKOFN-SZMVWBNQSA-N	1	0	352.438	1.245	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1	ZINC001087433924	807760661	/nfs/dbraw/zinc/76/06/61/807760661.db2.gz	MOHMOTLXJWSYQO-KZNAEPCWSA-N	1	0	356.470	1.560	20	30		FDEDRO
C[C@]1(NC(=O)C(=O)Nc2cccc(C#Cc3cccs3)c2)CC[NH2+]C1	ZINC000663615135	807878575	/nfs/dbraw/zinc/87/85/75/807878575.db2.gz	JEUWWJHCCVVLMJ-IBGZPJMESA-N	1	0	353.447	1.955	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@@H]3CC34CCC4)C2)CC1	ZINC000981350833	807942056	/nfs/dbraw/zinc/94/20/56/807942056.db2.gz	VMVVPMNSVPEJPJ-UHOSZYNNSA-N	1	0	371.525	1.923	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)C3CCCC3)C2)CC1	ZINC000981544031	808114249	/nfs/dbraw/zinc/11/42/49/808114249.db2.gz	AVVKJCYWLQUBJG-QFBILLFUSA-N	1	0	359.514	1.923	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CCC(=O)N2C)C1	ZINC001087434252	808343829	/nfs/dbraw/zinc/34/38/29/808343829.db2.gz	DDBZKCLSRFXKBN-XUVXKRRUSA-N	1	0	367.493	1.995	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)C[C@H]1c1ccccc1	ZINC000423689866	815207522	/nfs/dbraw/zinc/20/75/22/815207522.db2.gz	ZTPHLAXWZQGJON-NXHRZFHOSA-N	1	0	354.454	1.340	20	30		FDEDRO
C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCO[C@H]3c3cnn(C)c3)C2)C1	ZINC000981819063	808552949	/nfs/dbraw/zinc/55/29/49/808552949.db2.gz	LQPRBTQVXBZFPB-MSOLQXFVSA-N	1	0	358.486	1.998	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CC2(C1)CCC[N@H+](Cc1ccc(C#N)cc1)C2	ZINC000981820841	808556377	/nfs/dbraw/zinc/55/63/77/808556377.db2.gz	MCBVTUFHBLUMTP-LPHOPBHVSA-N	1	0	369.465	1.787	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C	ZINC000279174740	808563659	/nfs/dbraw/zinc/56/36/59/808563659.db2.gz	AOBPVEBNZPBIMF-RDJZCZTQSA-N	1	0	364.469	1.026	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)cn1	ZINC000981844219	808609524	/nfs/dbraw/zinc/60/95/24/808609524.db2.gz	KJDWAZDNWDYGDY-HNAYVOBHSA-N	1	0	368.481	1.419	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)nc1	ZINC000981844461	808610182	/nfs/dbraw/zinc/61/01/82/808610182.db2.gz	QCBLLPYCWHWXMM-FUHWJXTLSA-N	1	0	368.481	1.419	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)cc1	ZINC000981870217	808686959	/nfs/dbraw/zinc/68/69/59/808686959.db2.gz	UYWNCOAFCGLJBZ-PKOBYXMFSA-N	1	0	365.477	1.778	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@H]1CCC[C@H]1CCO	ZINC000279310280	808858791	/nfs/dbraw/zinc/85/87/91/808858791.db2.gz	RGYBFVQCDCPBRF-YOEHRIQHSA-N	1	0	353.426	1.823	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000279351576	808942897	/nfs/dbraw/zinc/94/28/97/808942897.db2.gz	GCZYFQRQQQTEDK-KRWDZBQOSA-N	1	0	352.442	1.911	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](C[C@H](O)Cc2ccccc2)CC1	ZINC000981992826	808945216	/nfs/dbraw/zinc/94/52/16/808945216.db2.gz	KEFLLCREKPEHFA-AQNXPRMDSA-N	1	0	358.482	1.715	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc3c(c2)nnn3C)CC1	ZINC000981993108	808946603	/nfs/dbraw/zinc/94/66/03/808946603.db2.gz	ZQMCHWBRSGOEPJ-APWZRJJASA-N	1	0	369.469	1.594	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1cccc(C(N)=O)c1	ZINC001028194583	808962535	/nfs/dbraw/zinc/96/25/35/808962535.db2.gz	BIKCIDZMYLGZHF-QYZOEREBSA-N	1	0	371.481	1.847	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCn1nc(C)nc1C	ZINC001028195558	808976431	/nfs/dbraw/zinc/97/64/31/808976431.db2.gz	QTKKYJHJDWVXNY-BZSNNMDCSA-N	1	0	361.490	1.457	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](CCO)CC[C@@H]2c2ccccc2)nn1	ZINC001087439023	809073521	/nfs/dbraw/zinc/07/35/21/809073521.db2.gz	AGRPBQKUOQKCQD-QZTJIDSGSA-N	1	0	369.469	1.434	20	30		FDEDRO
C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[C@@H]3N3CCCC3=O)C[C@@]2(C)C1	ZINC000982298659	809143089	/nfs/dbraw/zinc/14/30/89/809143089.db2.gz	KFCKUYJDLFBWRR-OSZJIOELSA-N	1	0	371.525	1.971	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1	ZINC000785386568	809176008	/nfs/dbraw/zinc/17/60/08/809176008.db2.gz	REHOCVSQJZVANO-HNNXBMFYSA-N	1	0	361.417	1.765	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H]2CN(CCn3cnc4ccccc4c3=O)C[C@H]21	ZINC001075621105	809181450	/nfs/dbraw/zinc/18/14/50/809181450.db2.gz	OITSJHWHSZRPNV-RVKKMQEKSA-N	1	0	365.437	1.089	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@H]3C[NH2+]CCC3(F)F)CC2)c(F)c1	ZINC000418748754	809182069	/nfs/dbraw/zinc/18/20/69/809182069.db2.gz	LGAPUIYUZNWQFH-HNNXBMFYSA-N	1	0	367.375	1.526	20	30		FDEDRO
CN(C(=O)C(=O)NCCSCc1ccccc1C#N)[C@@H]1CCC[NH2+]CC1	ZINC000418916509	809310765	/nfs/dbraw/zinc/31/07/65/809310765.db2.gz	HCEGTNRDMCJTQI-QGZVFWFLSA-N	1	0	374.510	1.508	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NCCSCc1ccccc1C#N)[C@@H]1CCC[NH2+]C1	ZINC000418923867	809319394	/nfs/dbraw/zinc/31/93/94/809319394.db2.gz	ONJUUJMNAKRGJX-GOEBONIOSA-N	1	0	374.510	1.412	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1	ZINC001087440014	809335264	/nfs/dbraw/zinc/33/52/64/809335264.db2.gz	FJUGLCXKSVBWRP-IEBWSBKVSA-N	1	0	364.449	1.725	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)NC(=O)NC)C[C@H]1c1ccccc1	ZINC001211729524	809674178	/nfs/dbraw/zinc/67/41/78/809674178.db2.gz	BKSJNILSDGAZDX-DLBZAZTESA-N	1	0	358.486	1.854	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)CC)C[C@H]1c1ccccc1	ZINC001211730095	809674836	/nfs/dbraw/zinc/67/48/36/809674836.db2.gz	OHLKCSSWCNMQHH-ZWKOTPCHSA-N	1	0	364.511	1.972	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cccn(C)c2=O)C1	ZINC001087442166	809685431	/nfs/dbraw/zinc/68/54/31/809685431.db2.gz	WDIKHWSERYGKRO-UYAOXDASSA-N	1	0	363.461	1.997	20	30		FDEDRO
CC[C@@]1(c2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc2)CCC(=O)NC1=O	ZINC000424089150	815310031	/nfs/dbraw/zinc/31/00/31/815310031.db2.gz	VJFJBKDEAZFQKP-BEFAXECRSA-N	1	0	356.426	1.731	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CN(CC)CCO2)C1	ZINC001087444060	809807522	/nfs/dbraw/zinc/80/75/22/809807522.db2.gz	VPRNEIQVVPNHMG-NJDAHSKKSA-N	1	0	369.509	1.705	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CCC4(C[C@@H]3F)OCCO4)C2=O)cc1	ZINC000894005575	809862182	/nfs/dbraw/zinc/86/21/82/809862182.db2.gz	LKZFVDMEERBYOH-BZSNNMDCSA-N	1	0	373.428	1.882	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](CCCC)NC(N)=O)C[C@H]1c1ccccc1	ZINC001211736231	809925815	/nfs/dbraw/zinc/92/58/15/809925815.db2.gz	NKQVMIPGRNTOKQ-GBESFXJTSA-N	1	0	370.497	1.821	20	30		FDEDRO
O=C(NCC#C[C@@H]1CCCCO1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1	ZINC000894111001	810097025	/nfs/dbraw/zinc/09/70/25/810097025.db2.gz	WNYAXDSLPOKGSJ-UXHICEINSA-N	1	0	371.481	1.625	20	30		FDEDRO
C#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@]2(C)CCNC(=O)C2)C1	ZINC001087456475	810110773	/nfs/dbraw/zinc/11/07/73/810110773.db2.gz	ZFXJGPYJAMSXIC-OPYAIIAOSA-N	1	0	371.456	1.649	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000249135382	810225752	/nfs/dbraw/zinc/22/57/52/810225752.db2.gz	DPPNCEAEFGLVIB-RRFJBIMHSA-N	1	0	358.442	1.857	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+]([C@@H]3CCCNC3=O)C[C@]2(C)C1	ZINC000982575503	810428822	/nfs/dbraw/zinc/42/88/22/810428822.db2.gz	WLIPFOYVTKXGRX-WVPQZDDBSA-N	1	0	361.486	1.027	20	30		FDEDRO
CC[NH+]=C(NCCc1cccc(C)c1)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261731971	810464869	/nfs/dbraw/zinc/46/48/69/810464869.db2.gz	LRPHAJIBPTXZCN-UHFFFAOYSA-N	1	0	368.485	1.585	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2	ZINC000424501377	815378174	/nfs/dbraw/zinc/37/81/74/815378174.db2.gz	FBWKTKRYTPCPQT-MRXNPFEDSA-N	1	0	371.481	1.858	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)C1	ZINC001028546908	810634144	/nfs/dbraw/zinc/63/41/44/810634144.db2.gz	IYOONTKDSSLKET-SZVBFZGTSA-N	1	0	371.456	1.530	20	30		FDEDRO
CC[NH+]=C(NCCc1ccco1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1	ZINC000261761208	810743650	/nfs/dbraw/zinc/74/36/50/810743650.db2.gz	MZQFJPOBUSWHQJ-GOSISDBHSA-N	1	0	361.446	1.098	20	30		FDEDRO
CN(CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC#N)C1)c1cc[nH+]cc1	ZINC001112124811	810872588	/nfs/dbraw/zinc/87/25/88/810872588.db2.gz	YSWNZJUUGWJNKL-ZIAGYGMSSA-N	1	0	355.364	1.410	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1	ZINC000424694054	815414925	/nfs/dbraw/zinc/41/49/25/815414925.db2.gz	KCIIPUXCCOXPQD-IBGZPJMESA-N	1	0	355.442	1.221	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CCO)CC[C@@H]2c2ccc(F)cc2)c1	ZINC001087463285	811075137	/nfs/dbraw/zinc/07/51/37/811075137.db2.gz	AXJBYNUBYDHLQZ-SJLPKXTDSA-N	1	0	356.401	1.606	20	30		FDEDRO
CCc1ccccc1CC[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1	ZINC001083392578	811207359	/nfs/dbraw/zinc/20/73/59/811207359.db2.gz	PDVWYMHYOIZTSL-MOPGFXCFSA-N	1	0	352.438	1.466	20	30		FDEDRO
[NH2+]=C(NCc1cc(-c2ccccc2)on1)N1CCN(c2ncccn2)CC1	ZINC000261993083	811362761	/nfs/dbraw/zinc/36/27/61/811362761.db2.gz	MXEHTSPQKMZEIS-UHFFFAOYSA-N	1	0	363.425	1.769	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCCCC2)N1CC[C@@H](Oc2ccccn2)C1	ZINC000262009948	811366816	/nfs/dbraw/zinc/36/68/16/811366816.db2.gz	WIMBGNGLXWJPKC-OAHLLOKOSA-N	1	0	369.473	1.628	20	30		FDEDRO
C[C@H]1CCN(C(NCC(=O)N(C)C)=[NH+]C2CCCC2)C[C@H]1n1ccnc1	ZINC000262253848	811424182	/nfs/dbraw/zinc/42/41/82/811424182.db2.gz	CKZDLFYQYCMPAT-DOTOQJQBSA-N	1	0	360.506	1.742	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@H]1CCOc2ccccc21)=[NH+]C1CCOCC1	ZINC000262339349	811445819	/nfs/dbraw/zinc/44/58/19/811445819.db2.gz	WTUWXKNYOQIMEL-INIZCTEOSA-N	1	0	360.458	1.313	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2OCCO[C@H]2C)C1	ZINC001087465408	811481117	/nfs/dbraw/zinc/48/11/17/811481117.db2.gz	NJTZZPUNNHZVME-OBZTUIKSSA-N	1	0	374.456	1.927	20	30		FDEDRO
C[NH+]=C(NCC(=O)N1CCc2ccccc2C1)N1CCC(C(=O)OC)CC1	ZINC000262522610	811483747	/nfs/dbraw/zinc/48/37/47/811483747.db2.gz	FJXKJACHSMTZPL-UHFFFAOYSA-N	1	0	372.469	1.032	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1ccc(F)c(F)c1	ZINC000419673867	812084507	/nfs/dbraw/zinc/08/45/07/812084507.db2.gz	HYXWUCFDJVPNPZ-QFBILLFUSA-N	1	0	363.408	1.910	20	30		FDEDRO
N#Cc1cccc(CCNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1	ZINC000419715856	812129570	/nfs/dbraw/zinc/12/95/70/812129570.db2.gz	ZXBULQNXRLHSHK-SFHVURJKSA-N	1	0	354.454	1.208	20	30		FDEDRO
C[C@@H]1C[NH+](CCCNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C[C@@H](C)O1	ZINC000280762262	812210717	/nfs/dbraw/zinc/21/07/17/812210717.db2.gz	ISPRFUAIVOHHEY-GPMSIDNRSA-N	1	0	354.454	1.856	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCCC[NH2+]C1	ZINC000420002327	813392952	/nfs/dbraw/zinc/39/29/52/813392952.db2.gz	RCHYYAKLUZFJCD-KSZLIROESA-N	1	0	354.454	1.543	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)N[C@H]3CCC[C@H]3C[NH3+])CC2)cc1	ZINC000420029858	813402532	/nfs/dbraw/zinc/40/25/32/813402532.db2.gz	DKEZIKUXDUITTC-ROUUACIJSA-N	1	0	352.438	1.418	20	30		FDEDRO
C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C	ZINC000420040543	813419722	/nfs/dbraw/zinc/41/97/22/813419722.db2.gz	PAQSREQGLOBXLS-WBVHZDCISA-N	1	0	359.470	1.821	20	30		FDEDRO
C=CCCCCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1	ZINC000420085251	813444883	/nfs/dbraw/zinc/44/48/83/813444883.db2.gz	AWBMVDFOVSHDHB-RHSMWYFYSA-N	1	0	365.424	1.999	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+]	ZINC000420064870	813448532	/nfs/dbraw/zinc/44/85/32/813448532.db2.gz	PAJXAPISWWNMLD-WMZOPIPTSA-N	1	0	359.470	1.844	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)C2CC2)cc1	ZINC000420108607	813464431	/nfs/dbraw/zinc/46/44/31/813464431.db2.gz	XNNVGTPSLOLJKT-UHFFFAOYSA-N	1	0	374.444	1.969	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1	ZINC000420117453	813476120	/nfs/dbraw/zinc/47/61/20/813476120.db2.gz	LUVLDFWQZREGCW-KDOFPFPSSA-N	1	0	352.438	1.288	20	30		FDEDRO
C[C@]1(CNC(=O)C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)CCC[NH2+]C1	ZINC000420126991	813490222	/nfs/dbraw/zinc/49/02/22/813490222.db2.gz	SHXUTIMOTVRGBW-WFXMLNOXSA-N	1	0	368.481	1.791	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1	ZINC000420191987	813544299	/nfs/dbraw/zinc/54/42/99/813544299.db2.gz	HYBCOPHHIKZXMD-DZGCQCFKSA-N	1	0	360.414	1.353	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1	ZINC000420214685	813558927	/nfs/dbraw/zinc/55/89/27/813558927.db2.gz	RLJHRDZMRZYQMF-CEXWTWQISA-N	1	0	366.465	1.577	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)NCc2ccc(C#N)s2)CC1	ZINC000420785731	813805486	/nfs/dbraw/zinc/80/54/86/813805486.db2.gz	YWMZZEFNVCTZSF-UHFFFAOYSA-N	1	0	370.482	1.766	20	30		FDEDRO
CC[NH+]1CCC(N2CCCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC2)CC1	ZINC000421013620	813906029	/nfs/dbraw/zinc/90/60/29/813906029.db2.gz	ROHSJVRGKDSUET-FQEVSTJZSA-N	1	0	363.550	1.533	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C	ZINC000421292746	814074561	/nfs/dbraw/zinc/07/45/61/814074561.db2.gz	BNNMJOQVYIDANF-OAHLLOKOSA-N	1	0	374.441	1.075	20	30		FDEDRO
COc1cc(C#N)ccc1OCCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1	ZINC000367026569	814238508	/nfs/dbraw/zinc/23/85/08/814238508.db2.gz	BDYPRBWYYPSGPT-PKOBYXMFSA-N	1	0	372.513	1.903	20	30		FDEDRO
CCn1nccc1N1CCC[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)C1=O	ZINC000367034139	814261054	/nfs/dbraw/zinc/26/10/54/814261054.db2.gz	VXCNDBSRNQCWBK-MRXNPFEDSA-N	1	0	363.425	1.708	20	30		FDEDRO
COc1nscc1CN1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1	ZINC001075710008	815775746	/nfs/dbraw/zinc/77/57/46/815775746.db2.gz	WBGRJHHRKJJXJS-XHDPSFHLSA-N	1	0	357.439	1.698	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1	ZINC001087465714	815776095	/nfs/dbraw/zinc/77/60/95/815776095.db2.gz	FMDOCDIMPPGMPS-BHIYHBOVSA-N	1	0	371.456	1.649	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2)C1	ZINC001028810069	815787352	/nfs/dbraw/zinc/78/73/52/815787352.db2.gz	VUZBGTBRMAZXOK-NXHRZFHOSA-N	1	0	357.454	1.315	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]Cc1nnc2n1CCCC2	ZINC001167957025	815856591	/nfs/dbraw/zinc/85/65/91/815856591.db2.gz	SIFIWSPSDSUNKH-YJBOKZPZSA-N	1	0	361.490	1.582	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH2+]C1CCN(C(=O)COC)CC1	ZINC000514855756	816013921	/nfs/dbraw/zinc/01/39/21/816013921.db2.gz	BDAKXRBGSQSWQI-GOSISDBHSA-N	1	0	362.470	1.382	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C4=CCOCC4)[C@@H]3C2)cc1	ZINC001075719036	816109267	/nfs/dbraw/zinc/10/92/67/816109267.db2.gz	HRJJMCYQRZBOJC-AZUAARDMSA-N	1	0	367.449	1.968	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)CC1	ZINC000435635074	816113501	/nfs/dbraw/zinc/11/35/01/816113501.db2.gz	IKOSPTLXDKJJGW-UHFFFAOYSA-N	1	0	372.469	1.402	20	30		FDEDRO
C=CCn1cc(CNC(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)nn1	ZINC000425397367	816124736	/nfs/dbraw/zinc/12/47/36/816124736.db2.gz	LVRKSCKIHBJBRM-OAHLLOKOSA-N	1	0	354.458	1.710	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCCNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C[C@H](C)O1	ZINC000505735779	816282654	/nfs/dbraw/zinc/28/26/54/816282654.db2.gz	IGDSCGYVHHYAST-KHYOSLBOSA-N	1	0	367.490	1.864	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCN(c3ncccc3F)C2)cc1	ZINC000515832083	816463471	/nfs/dbraw/zinc/46/34/71/816463471.db2.gz	IYUCDDZHUGYIKD-SJORKVTESA-N	1	0	370.428	1.895	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](OCC)C2CCOCC2)C[C@H]1C(F)(F)F	ZINC001112138119	816783340	/nfs/dbraw/zinc/78/33/40/816783340.db2.gz	UQMQIKXUTDRRTJ-RBSFLKMASA-N	1	0	364.408	1.983	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)CC1	ZINC000505918482	816838919	/nfs/dbraw/zinc/83/89/19/816838919.db2.gz	HMHLAZNAVYMFCL-UHFFFAOYSA-N	1	0	367.453	1.893	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc2cc[nH]c(=O)c2c1	ZINC000425750874	816968421	/nfs/dbraw/zinc/96/84/21/816968421.db2.gz	ATQVKUBMIBYEHD-UHFFFAOYSA-N	1	0	369.425	1.573	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC1([NH+](C)C)CCOCC1	ZINC000506014127	816993119	/nfs/dbraw/zinc/99/31/19/816993119.db2.gz	XUWLMGVXXFUIOO-UHFFFAOYSA-N	1	0	360.458	1.435	20	30		FDEDRO
N#Cc1cccnc1OC1CCC(NC(=O)NC[C@@H]2CCC[NH2+]C2)CC1	ZINC000516857115	817063840	/nfs/dbraw/zinc/06/38/40/817063840.db2.gz	SFGNEEJCHPHAES-ODIFPOPNSA-N	1	0	357.458	1.942	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C2CCN(c3ccccn3)CC2)cc1	ZINC000517005147	817164493	/nfs/dbraw/zinc/16/44/93/817164493.db2.gz	XIQGZWILMPMXJQ-UHFFFAOYSA-N	1	0	370.478	1.986	20	30		FDEDRO
C=CCn1cc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccc(OC)cc2)nn1	ZINC000425882412	817301522	/nfs/dbraw/zinc/30/15/22/817301522.db2.gz	UVRHWIVGLWYOHR-KRWDZBQOSA-N	1	0	358.446	1.575	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@H](C#N)CCc3ccccc3)CC2)C1=O	ZINC000517374617	817416566	/nfs/dbraw/zinc/41/65/66/817416566.db2.gz	JVUYDSRFLQOHQG-PKOBYXMFSA-N	1	0	368.481	1.570	20	30		FDEDRO
C=CC[N@@H+](CCN1C(=O)CCC1=O)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000517529883	817479129	/nfs/dbraw/zinc/47/91/29/817479129.db2.gz	KECRPOUUFANGPW-AWEZNQCLSA-N	1	0	354.414	1.360	20	30		FDEDRO
C[C@@H]1CC[N@H+](C)CCN1C(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000473588456	817558204	/nfs/dbraw/zinc/55/82/04/817558204.db2.gz	BYGOGVHRDCWRKF-QAPCUYQASA-N	1	0	354.454	1.602	20	30		FDEDRO
C[NH+]1CCN(C[C@H](NC(=O)N2CCC(C#N)CC2)c2ccccc2)CC1	ZINC000517914771	817630671	/nfs/dbraw/zinc/63/06/71/817630671.db2.gz	PIHACDOJLVJUNW-IBGZPJMESA-N	1	0	355.486	1.920	20	30		FDEDRO
CC1CC[NH+](C[C@@H](O)CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1	ZINC000506339221	817690449	/nfs/dbraw/zinc/69/04/49/817690449.db2.gz	PFJGCGSNTDKKOW-HNAYVOBHSA-N	1	0	367.490	1.457	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)C(F)(F)F)C[C@H]1C(F)(F)F	ZINC001112143506	817886731	/nfs/dbraw/zinc/88/67/31/817886731.db2.gz	AMRAWOISRYXKLJ-HBNTYKKESA-N	1	0	360.298	1.814	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001087467687	817903508	/nfs/dbraw/zinc/90/35/08/817903508.db2.gz	KGNZQEZVHSHBNG-ZJPYXAASSA-N	1	0	359.445	1.797	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2ccc(OC)c(C(=O)OC)c2)CC1	ZINC000518519046	817914233	/nfs/dbraw/zinc/91/42/33/817914233.db2.gz	NVPOHOUIPVAMAK-UHFFFAOYSA-N	1	0	361.442	1.931	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@]2(C)CCNC2=O)C1	ZINC001087467799	817916709	/nfs/dbraw/zinc/91/67/09/817916709.db2.gz	QIDODIYDFZURBH-MBOZVWFJSA-N	1	0	359.445	1.812	20	30		FDEDRO
CCOC(=O)[C@@H]1CCCN(C(NCc2cn3ccc(C)cc3n2)=[NH+]C)C1	ZINC000261990796	817954837	/nfs/dbraw/zinc/95/48/37/817954837.db2.gz	RFTFLFIFDVPARW-OAHLLOKOSA-N	1	0	357.458	1.993	20	30		FDEDRO
CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCn2cnc(C#N)n2)C[C@@H]1C(F)(F)F	ZINC000894419437	818034918	/nfs/dbraw/zinc/03/49/18/818034918.db2.gz	DNRMYEUHVHHCCT-TUAOUCFPSA-N	1	0	359.352	1.650	20	30		FDEDRO
CCC(CC)[NH2+]CCNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000894423315	818038369	/nfs/dbraw/zinc/03/83/69/818038369.db2.gz	RHQSBRMCFQBBJM-GOSISDBHSA-N	1	0	371.485	1.737	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNC(=O)N2CCC3(CC2)CC(=O)C=CO3)CCCO1	ZINC000894449915	818057642	/nfs/dbraw/zinc/05/76/42/818057642.db2.gz	XLVHXCWJKVJWHV-MRXNPFEDSA-N	1	0	365.474	1.535	20	30		FDEDRO
Cc1nnc(CC(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)o1	ZINC001075762917	818114966	/nfs/dbraw/zinc/11/49/66/818114966.db2.gz	ALMLVYUAPCJSMJ-DLBZAZTESA-N	1	0	351.410	1.525	20	30		FDEDRO
C=CCN1CC[C@H](N2CC[C@@H](c3ccc(OC)cc3)[C@@H](NC(C)=O)C2)C1=O	ZINC001087472348	818127504	/nfs/dbraw/zinc/12/75/04/818127504.db2.gz	ZZELURJTSDVBSM-UFYCRDLUSA-N	1	0	371.481	1.776	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO	ZINC000894500782	818132166	/nfs/dbraw/zinc/13/21/66/818132166.db2.gz	WLUJSYZJYSHBKJ-FHWLQOOXSA-N	1	0	354.454	1.786	20	30		FDEDRO
CCC[NH+]1CCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1	ZINC000473778466	818333493	/nfs/dbraw/zinc/33/34/93/818333493.db2.gz	VBGCAAUEEQNBFE-GOSISDBHSA-N	1	0	354.454	1.603	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2cnn(C)n2)C1	ZINC001087476196	818364337	/nfs/dbraw/zinc/36/43/37/818364337.db2.gz	YCYIXGUORHJGBS-HKUYNNGSSA-N	1	0	369.469	1.988	20	30		FDEDRO
COc1ccc([C@@H]2CCN(CC#N)C[C@@H]2NC(=O)C[C@H]2CC[N@H+](C)C2)cc1	ZINC001087476651	818369927	/nfs/dbraw/zinc/36/99/27/818369927.db2.gz	ZPZNLEXCTQEYEP-UXPWSPDFSA-N	1	0	370.497	1.835	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)Cc2nc[nH]n2)C1	ZINC001087476571	818379970	/nfs/dbraw/zinc/37/99/70/818379970.db2.gz	VGHHFTGBHDWXEV-ROUUACIJSA-N	1	0	369.469	1.906	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1	ZINC000280783334	818432094	/nfs/dbraw/zinc/43/20/94/818432094.db2.gz	IKQZIFUURDXBAX-MOPGFXCFSA-N	1	0	356.470	1.334	20	30		FDEDRO
C#CCOc1cccc(NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000108517723	818445301	/nfs/dbraw/zinc/44/53/01/818445301.db2.gz	KSMUXSLAZAAVTC-HNNXBMFYSA-N	1	0	358.442	1.408	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]Cc2cnn(C)n2)CC1	ZINC001029101889	818593885	/nfs/dbraw/zinc/59/38/85/818593885.db2.gz	QGPMKFNBXQZFQJ-QGTPRVQTSA-N	1	0	361.490	1.513	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]Cc2cnnn2C)CC1	ZINC001029102220	818609402	/nfs/dbraw/zinc/60/94/02/818609402.db2.gz	WFBPOWHRIFJIAD-QGTPRVQTSA-N	1	0	361.490	1.513	20	30		FDEDRO
N#Cc1ccc([C@@H]([NH2+]CCCN2C(=O)c3ccccc3C2=O)C(N)=O)cc1	ZINC000507268466	818702789	/nfs/dbraw/zinc/70/27/89/818702789.db2.gz	REBLTUFPBPKWEJ-QGZVFWFLSA-N	1	0	362.389	1.361	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]Cc2cnn(CC)n2)CC1	ZINC001029146509	818934646	/nfs/dbraw/zinc/93/46/46/818934646.db2.gz	QXVJPBFAOIWCRA-OLMNPRSZSA-N	1	0	361.490	1.606	20	30		FDEDRO
C[NH+](C)CCCOc1cnccc1CNC(=O)N1CCO[C@](C)(C#N)C1	ZINC000894885189	819104321	/nfs/dbraw/zinc/10/43/21/819104321.db2.gz	DYIPVQAMRXIWSK-GOSISDBHSA-N	1	0	361.446	1.236	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cncc(-n2ccnn2)c1	ZINC000328685090	819533707	/nfs/dbraw/zinc/53/37/07/819533707.db2.gz	FLIAXEAAGCCPGV-QZTJIDSGSA-N	1	0	370.457	1.735	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@@H]2COC[C@H](C1)O2	ZINC000328743108	819542179	/nfs/dbraw/zinc/54/21/79/819542179.db2.gz	OHUVGXHQIWYYOB-YSHGAJCASA-N	1	0	359.470	1.911	20	30		FDEDRO
C[C@@H]1CCC[C@](CNC(=O)N2CCOC[C@H]2c2ncnn2C)([NH+](C)C)C1	ZINC000328852999	819566777	/nfs/dbraw/zinc/56/67/77/819566777.db2.gz	BWIIQJWYCJTVMQ-VKJFTORMSA-N	1	0	364.494	1.613	20	30		FDEDRO
CC[NH+](CC)C[C@@H](C)NC(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1	ZINC000330475180	819616315	/nfs/dbraw/zinc/61/63/15/819616315.db2.gz	FMUSEBWHCKIYLN-MRXNPFEDSA-N	1	0	367.538	1.117	20	30		FDEDRO
Cc1ccc(N2CCC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC(C)(C)C)C2)nn1	ZINC000330715878	819636491	/nfs/dbraw/zinc/63/64/91/819636491.db2.gz	TYNDWRNEXXYNDH-KBPBESRZSA-N	1	0	362.478	1.561	20	30		FDEDRO
CC[C@H]1CN(C(=O)Nc2ccnc(C(=O)N(C)C)c2)CC[N@@H+]1C[C@@H](C)O	ZINC000331140683	819666655	/nfs/dbraw/zinc/66/66/55/819666655.db2.gz	KFFFAGPUBLLBMA-HIFRSBDPSA-N	1	0	363.462	1.106	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H](CN(C)[C@@H](C)C(=O)NC(=O)NC)[C@@H]1c1cnn(C)c1	ZINC000331248206	819674419	/nfs/dbraw/zinc/67/44/19/819674419.db2.gz	QZPPKJYVUHPUSK-OFQRWUPVSA-N	1	0	364.494	1.173	20	30		FDEDRO
CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1	ZINC000331311267	819675538	/nfs/dbraw/zinc/67/55/38/819675538.db2.gz	ZKAVTJUPPLHCLN-GJZGRUSLSA-N	1	0	370.538	1.617	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1CCOc2cc(C(=O)OC)ccc2C1	ZINC000895056701	819704305	/nfs/dbraw/zinc/70/43/05/819704305.db2.gz	PMTBUCGZQDGHEB-UHFFFAOYSA-N	1	0	359.426	1.332	20	30		FDEDRO
CCN1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1=O	ZINC000459047763	819900673	/nfs/dbraw/zinc/90/06/73/819900673.db2.gz	NWEWOUOPKOGJKY-KRWDZBQOSA-N	1	0	357.458	1.252	20	30		FDEDRO
CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1)[NH+](C)C	ZINC000983884317	819932536	/nfs/dbraw/zinc/93/25/36/819932536.db2.gz	VSZTZIKGBHSRRH-UKPHBRMFSA-N	1	0	359.474	1.583	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1	ZINC000983888967	819951489	/nfs/dbraw/zinc/95/14/89/819951489.db2.gz	SEQPMHYEXLFJJD-PBHICJAKSA-N	1	0	371.485	1.585	20	30		FDEDRO
CC(C)c1ccc(C[N@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)cc1	ZINC001083414147	820149884	/nfs/dbraw/zinc/14/98/84/820149884.db2.gz	OKSQGGNCOPBJLB-MOPGFXCFSA-N	1	0	352.438	1.985	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)[C@H](CC)[NH+](C)C)cn1	ZINC000983937547	820234986	/nfs/dbraw/zinc/23/49/86/820234986.db2.gz	UVIQBHLOHUSEFR-MNEFBYGVSA-N	1	0	370.497	1.760	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1	ZINC000984034065	820620668	/nfs/dbraw/zinc/62/06/68/820620668.db2.gz	LYDADOFFLULARV-CPUCHLNUSA-N	1	0	353.426	1.851	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H](O)COC)C2)CCC1	ZINC001112162276	820727721	/nfs/dbraw/zinc/72/77/21/820727721.db2.gz	NGCZMTRHZVKKDZ-MGPQQGTHSA-N	1	0	364.408	1.719	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC000984080539	820740026	/nfs/dbraw/zinc/74/00/26/820740026.db2.gz	FNVCTLLCTLQOLC-VYDXJSESSA-N	1	0	371.485	1.728	20	30		FDEDRO
COc1cc(C#N)ccc1OCCCC(=O)N1CCN(CCO)[C@@H](C)C1	ZINC000428135394	820914640	/nfs/dbraw/zinc/91/46/40/820914640.db2.gz	FLHNUTUKMZXGFC-HNNXBMFYSA-N	1	0	361.442	1.251	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H](C)n2cncn2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087546670	821270822	/nfs/dbraw/zinc/27/08/22/821270822.db2.gz	ADTZPMMKZULKNR-FHLIZLRMSA-N	1	0	352.442	1.880	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN([C@H](C(=O)OC(C)(C)C)C(C)C)C1=O	ZINC000442781150	821287740	/nfs/dbraw/zinc/28/77/40/821287740.db2.gz	HVPNYRXSKXEABL-ZNMIVQPWSA-N	1	0	367.490	1.234	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1cccc(C(N)=O)c1	ZINC001087548607	821307586	/nfs/dbraw/zinc/30/75/86/821307586.db2.gz	FQMPFSSTNBGOEF-ZWKOTPCHSA-N	1	0	365.437	1.768	20	30		FDEDRO
C[C@@H](C#N)CNC(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000521657910	821327938	/nfs/dbraw/zinc/32/79/38/821327938.db2.gz	RIZKXIOFLZDICX-HKUYNNGSSA-N	1	0	355.486	1.748	20	30		FDEDRO
COc1ccc(C[NH2+]CCC(=O)N2CCN(C)CC2)cc1OCCCC#N	ZINC000521828665	821361448	/nfs/dbraw/zinc/36/14/48/821361448.db2.gz	PNMFLAFSSXWBKR-UHFFFAOYSA-N	1	0	374.485	1.631	20	30		FDEDRO
CC(C)[NH2+]CCCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000521843703	821365470	/nfs/dbraw/zinc/36/54/70/821365470.db2.gz	WMHFKZUKYDTDCL-QGZVFWFLSA-N	1	0	357.458	1.741	20	30		FDEDRO
N#Cc1nccc(NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)n1	ZINC000521973128	821423014	/nfs/dbraw/zinc/42/30/14/821423014.db2.gz	OTUQPERGZKEZSN-MRXNPFEDSA-N	1	0	350.426	1.080	20	30		FDEDRO
C=CC1CCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC1	ZINC000522053724	821465115	/nfs/dbraw/zinc/46/51/15/821465115.db2.gz	HHLHPDMZCHUIQR-UHFFFAOYSA-N	1	0	372.517	1.986	20	30		FDEDRO
N#Cc1cnn(-c2ccc(C(=O)NCCC[NH+]3CCCCC3)cc2)c1N	ZINC000524296931	828349479	/nfs/dbraw/zinc/34/94/79/828349479.db2.gz	VROPITLRSANYTN-UHFFFAOYSA-N	1	0	352.442	1.932	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1	ZINC000984219248	821531438	/nfs/dbraw/zinc/53/14/38/821531438.db2.gz	HAGPESFLEWEADR-LNLFQRSKSA-N	1	0	363.502	1.513	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc4n(n3)CCC4)[C@H]2CC)C1=O	ZINC001087595046	821618292	/nfs/dbraw/zinc/61/82/92/821618292.db2.gz	LLHXVLSKOSXIPC-JQHSSLGASA-N	1	0	371.485	1.199	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cn[nH]c(=O)c2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087613926	821749075	/nfs/dbraw/zinc/74/90/75/821749075.db2.gz	QVWDQIPPBRYYSK-ZWKOTPCHSA-N	1	0	350.422	1.817	20	30		FDEDRO
C#CCC1(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)CCOCC1	ZINC000895234819	821995602	/nfs/dbraw/zinc/99/56/02/821995602.db2.gz	GPVIQJBGHNNTRC-RTBURBONSA-N	1	0	372.513	1.923	20	30		FDEDRO
C#CCC1(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)CCOCC1	ZINC000895234815	821995787	/nfs/dbraw/zinc/99/57/87/821995787.db2.gz	GPVIQJBGHNNTRC-OALUTQOASA-N	1	0	372.513	1.923	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)cn2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087705255	822134143	/nfs/dbraw/zinc/13/41/43/822134143.db2.gz	FEFBRAHZBRLEML-FUHWJXTLSA-N	1	0	350.422	1.404	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CCc3cnn(C)c3)[C@@H]2CC)c1	ZINC001087718924	822184541	/nfs/dbraw/zinc/18/45/41/822184541.db2.gz	QRIAEZNCOSMHEI-RBUKOAKNSA-N	1	0	351.454	1.622	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087723866	822219643	/nfs/dbraw/zinc/21/96/43/822219643.db2.gz	JMTUZGNAAHYHEX-XWTMOSNGSA-N	1	0	370.453	1.060	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@H]1CC	ZINC001087757536	822381210	/nfs/dbraw/zinc/38/12/10/822381210.db2.gz	ZRBOKMOIYLMXEZ-JKSUJKDBSA-N	1	0	362.478	1.114	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)C3(C)CCOCC3)[C@H]2CC)C1=O	ZINC001087763051	822390804	/nfs/dbraw/zinc/39/08/04/822390804.db2.gz	AIZUWGJOPPRTIP-BBWFWOEESA-N	1	0	363.502	1.559	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)Cc2nc[nH]n2)CC[N@@H+]1Cc1ccc(OC)c(C#N)c1	ZINC001087788774	822436354	/nfs/dbraw/zinc/43/63/54/822436354.db2.gz	HGNWWXVDVWJIRJ-JKSUJKDBSA-N	1	0	368.441	1.397	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)[C@@H]1CC	ZINC001087810910	822470320	/nfs/dbraw/zinc/47/03/20/822470320.db2.gz	RRIKHBJCYGCOOC-RBUKOAKNSA-N	1	0	353.466	1.412	20	30		FDEDRO
COc1cc(CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)ccc1C#N	ZINC000895550444	822653938	/nfs/dbraw/zinc/65/39/38/822653938.db2.gz	JADSBPUIGFZSML-UHFFFAOYSA-N	1	0	356.470	1.873	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCCN(CCN2CCOCC2)C1	ZINC000895686453	822698794	/nfs/dbraw/zinc/69/87/94/822698794.db2.gz	RVZOAGGMCGBOJD-MOPGFXCFSA-N	1	0	364.534	1.472	20	30		FDEDRO
COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCOC4)C[C@@H]3C2)cc1C#N	ZINC001087902678	822779107	/nfs/dbraw/zinc/77/91/07/822779107.db2.gz	JZNYKIYVKFGEQD-LMMKCTJWSA-N	1	0	369.465	1.884	20	30		FDEDRO
C=CC[N@@H+](CCCN1CCOCC1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000525271823	828537718	/nfs/dbraw/zinc/53/77/18/828537718.db2.gz	VVCHJHRHCLGHHA-KRWDZBQOSA-N	1	0	356.474	1.934	20	30		FDEDRO
C#CCC1([NH2+]Cc2cn(C)nc2I)CCOCC1	ZINC000895894713	823731713	/nfs/dbraw/zinc/73/17/13/823731713.db2.gz	POUZIDZQCMGYRN-UHFFFAOYSA-N	1	0	359.211	1.687	20	30		FDEDRO
Cn1cc(CC(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4)CC[C@@H]3C2)cn1	ZINC001087906340	823735270	/nfs/dbraw/zinc/73/52/70/823735270.db2.gz	AVKAQYUINWAIGC-UXHICEINSA-N	1	0	363.465	1.815	20	30		FDEDRO
CNC(=O)c1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]3C2)cc1	ZINC001087911022	823770270	/nfs/dbraw/zinc/77/02/70/823770270.db2.gz	HFIAFUNTKQJZNB-QGTPRVQTSA-N	1	0	354.454	1.486	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2CCN(Cc3nc(-c4ccco4)no3)C[C@H]2C1	ZINC001087911020	823770530	/nfs/dbraw/zinc/77/05/30/823770530.db2.gz	HFFYAPNNXBEFOL-MJBXVCDLSA-N	1	0	355.398	1.770	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4nccnc4N)C[C@@H]3C2)cc1	ZINC001087912913	823785735	/nfs/dbraw/zinc/78/57/35/823785735.db2.gz	NUPLQEOFFKKKOY-SJORKVTESA-N	1	0	362.437	1.525	20	30		FDEDRO
N#Cc1ccccc1N1CCC(NC(=O)C2C[NH+](C3CCOCC3)C2)CC1	ZINC000895990135	823862918	/nfs/dbraw/zinc/86/29/18/823862918.db2.gz	HNGDGSCFZFYQJG-UHFFFAOYSA-N	1	0	368.481	1.754	20	30		FDEDRO
Cc1noc([C@H](C)N2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]3C2)n1	ZINC001087925033	823935669	/nfs/dbraw/zinc/93/56/69/823935669.db2.gz	UNUOPTWIWVHWIP-GLQYFDAESA-N	1	0	354.414	1.733	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3COC(=O)C3)C[C@@H]2C1	ZINC001087933843	823989566	/nfs/dbraw/zinc/98/95/66/823989566.db2.gz	HTZGVXHUOCXZLV-LZQZEXGQSA-N	1	0	367.449	1.792	20	30		FDEDRO
CCn1nncc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@@H]2C1	ZINC001087957912	824166031	/nfs/dbraw/zinc/16/60/31/824166031.db2.gz	PIARRXQHBIMXTJ-MSOLQXFVSA-N	1	0	364.453	1.764	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4C#N)CC[C@@H]3C2)[nH]1	ZINC001087960220	824190699	/nfs/dbraw/zinc/19/06/99/824190699.db2.gz	KCDNTVXJRNYFFA-MSOLQXFVSA-N	1	0	364.453	1.508	20	30		FDEDRO
N#Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4nccn4)C[C@@H]3C2)ccc1F	ZINC001087980696	824347650	/nfs/dbraw/zinc/34/76/50/824347650.db2.gz	NTTALGXJPZFMAO-WBVHZDCISA-N	1	0	368.416	1.269	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CC[C@@H]2CC[C@@H](C3OCCO3)O2)CC1	ZINC000896520382	824475692	/nfs/dbraw/zinc/47/56/92/824475692.db2.gz	IYZWTYBVVUKYPU-IRXDYDNUSA-N	1	0	350.459	1.291	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2nn3c(c2Br)CCC3)CC1	ZINC000896520737	824476694	/nfs/dbraw/zinc/47/66/94/824476694.db2.gz	NUFNRPZVBIYEIL-UHFFFAOYSA-N	1	0	365.275	1.809	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H](O)COC)C1	ZINC001112172406	824492266	/nfs/dbraw/zinc/49/22/66/824492266.db2.gz	CFUGPDQNRPFGKN-YNEHKIRRSA-N	1	0	352.397	1.575	20	30		FDEDRO
CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1	ZINC000329100824	824585770	/nfs/dbraw/zinc/58/57/70/824585770.db2.gz	ZNVYZSSRYWRKHR-CVEARBPZSA-N	1	0	362.478	1.888	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1	ZINC000329106962	824592482	/nfs/dbraw/zinc/59/24/82/824592482.db2.gz	DQNZTRIUTYLSOJ-CVEARBPZSA-N	1	0	365.522	1.060	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)NCc3cn4c(n3)CCCC4)C2)CC1	ZINC000329133676	824617877	/nfs/dbraw/zinc/61/78/77/824617877.db2.gz	BHRQDHMMTGOBBN-QGZVFWFLSA-N	1	0	360.506	1.345	20	30		FDEDRO
Cn1cnnc1[C@@H]1CCCN1C(=O)NC1CC[NH+](Cc2ccccn2)CC1	ZINC000329151929	824632339	/nfs/dbraw/zinc/63/23/39/824632339.db2.gz	AKJDOKFIFATQSF-KRWDZBQOSA-N	1	0	369.473	1.926	20	30		FDEDRO
COc1ccnc(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1	ZINC000329213370	824673001	/nfs/dbraw/zinc/67/30/01/824673001.db2.gz	JHYSWQPLZLVSLJ-MQVJKMGUSA-N	1	0	360.458	1.673	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CC1CC[NH+](C)CC1	ZINC000984743018	824680028	/nfs/dbraw/zinc/68/00/28/824680028.db2.gz	PJDDYJJXJZJASO-FUHWJXTLSA-N	1	0	371.485	1.728	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccccc3N3C(=O)CCC3=O)[C@@H]2C1	ZINC000329235720	824686730	/nfs/dbraw/zinc/68/67/30/824686730.db2.gz	IVGNPIWUCRXLFZ-XJKSGUPXSA-N	1	0	356.426	1.912	20	30		FDEDRO
Cc1cc(C)nc(N2CCN(CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)n1	ZINC000329346180	824748342	/nfs/dbraw/zinc/74/83/42/824748342.db2.gz	VCRCHGRZSCJBSD-UHFFFAOYSA-N	1	0	372.517	1.799	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCn2ncc(C(N)=O)c2C1	ZINC000329391429	824768006	/nfs/dbraw/zinc/76/80/06/824768006.db2.gz	STFVHKOKKXKNNE-KFWWJZLASA-N	1	0	374.489	1.801	20	30		FDEDRO
C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccccc2CN2CCNC2=O)CCO1	ZINC000329429656	824782667	/nfs/dbraw/zinc/78/26/67/824782667.db2.gz	JYGUPEVNYKKLLZ-OAHLLOKOSA-N	1	0	361.446	1.224	20	30		FDEDRO
Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC[C@@]3(CNC(=O)C3)C2)CCC[N@@H+]1C	ZINC000329454289	824805051	/nfs/dbraw/zinc/80/50/51/824805051.db2.gz	MFYCEKOCVIPZIN-POZUXBRTSA-N	1	0	374.489	1.769	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2	ZINC000329475749	824821103	/nfs/dbraw/zinc/82/11/03/824821103.db2.gz	PDCZSYUVKIAUGK-CVEARBPZSA-N	1	0	360.458	1.712	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC([N@H+](C)Cc2cccc(C#N)c2)CC1	ZINC000985646834	828699325	/nfs/dbraw/zinc/69/93/25/828699325.db2.gz	HUSQEDMRUKZHBD-MOPGFXCFSA-N	1	0	368.481	1.705	20	30		FDEDRO
COCCn1cc2c(n1)[C@H](NC(=O)N1CCO[C@H](C[NH+](C)C)C1)CCC2	ZINC000329512972	824844300	/nfs/dbraw/zinc/84/43/00/824844300.db2.gz	LFAJFMGZVYOPIZ-HZPDHXFCSA-N	1	0	365.478	1.083	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4[nH]ccc4C4CC4)[C@@H]3C2)C1=O	ZINC001075871734	828702544	/nfs/dbraw/zinc/70/25/44/828702544.db2.gz	MGYIFOUSSHUQET-CGTJXYLNSA-N	1	0	368.481	1.825	20	30		FDEDRO
O=C(CN1CC[NH+](CC2CCOCC2)CC1)NC[C@@H]1Cc2ccccc2O1	ZINC000329588459	824904394	/nfs/dbraw/zinc/90/43/94/824904394.db2.gz	MZJHIWRCXABJOI-IBGZPJMESA-N	1	0	373.497	1.991	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)CC[C@@H]2C1	ZINC001087992906	824955796	/nfs/dbraw/zinc/95/57/96/824955796.db2.gz	RFMGTXFOUYOWHQ-IXDOHACOSA-N	1	0	356.470	1.347	20	30		FDEDRO
Cc1cnn([C@H]2CCN(C(=O)NCC3([NH+]4CCCC4)CCOCC3)C2)c1	ZINC000329617653	825003507	/nfs/dbraw/zinc/00/35/07/825003507.db2.gz	QGRHEULXVAEMCK-KRWDZBQOSA-N	1	0	361.490	1.997	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnc3n2CCCC3)C1	ZINC000984826016	825032887	/nfs/dbraw/zinc/03/28/87/825032887.db2.gz	KQGLLEOQVWZVDH-FPCVCCKLSA-N	1	0	359.474	1.190	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)c2nnc(C)s2)C1	ZINC000984826478	825033846	/nfs/dbraw/zinc/03/38/46/825033846.db2.gz	UJZKBDFQSDIBDR-GZENYHORSA-N	1	0	350.488	1.983	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cc(C)no3)CC[C@@H]2C1	ZINC001087997871	825073911	/nfs/dbraw/zinc/07/39/11/825073911.db2.gz	DJAJRNCOUZMTQB-AOIWGVFYSA-N	1	0	356.470	1.361	20	30		FDEDRO
CC(C)NC(=O)CNC(=[NH+]CC(=O)N(C)C)N1CC[C@H](C)C2(CCC2)C1	ZINC000262319592	825170599	/nfs/dbraw/zinc/17/05/99/825170599.db2.gz	RPQODHGRFKKIKV-HNNXBMFYSA-N	1	0	365.522	1.057	20	30		FDEDRO
CN(C)C(=O)CNC(=[NH+]C(C1CC1)C1CC1)N1CCC2(C1)CCOCC2	ZINC000262323551	825189536	/nfs/dbraw/zinc/18/95/36/825189536.db2.gz	SMZCTYCYFUUHLZ-UHFFFAOYSA-N	1	0	362.518	1.711	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H]2C[N@H+]([C@H](C)C(=O)NC)CC[C@@H]2C1	ZINC001088016657	825274148	/nfs/dbraw/zinc/27/41/48/825274148.db2.gz	PDVICSMWEAQPKT-ZACQAIPSSA-N	1	0	371.481	1.780	20	30		FDEDRO
Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)C2)nn1	ZINC000329699589	825325707	/nfs/dbraw/zinc/32/57/07/825325707.db2.gz	ZEVUDERQJDURQD-BBWFWOEESA-N	1	0	358.490	1.884	20	30		FDEDRO
CN(C(=O)CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)C1CCCCC1	ZINC000329777343	825448816	/nfs/dbraw/zinc/44/88/16/825448816.db2.gz	PAVHWMJDUINUBB-MRXNPFEDSA-N	1	0	366.506	1.346	20	30		FDEDRO
C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)cn2)CCO1	ZINC000329791466	825458035	/nfs/dbraw/zinc/45/80/35/825458035.db2.gz	DQVIQOHVOLLESB-BFYDXBDKSA-N	1	0	361.490	1.793	20	30		FDEDRO
C[C@H](NC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCOC1	ZINC000329797968	825461878	/nfs/dbraw/zinc/46/18/78/825461878.db2.gz	GCBNTUYSXQIBEQ-ILZDJORESA-N	1	0	361.486	1.894	20	30		FDEDRO
CCc1cc(N2CCC[C@H](NC(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)C2)ncn1	ZINC000329799091	825462312	/nfs/dbraw/zinc/46/23/12/825462312.db2.gz	HCQITOMECMFLSQ-OIISXLGYSA-N	1	0	360.506	1.994	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000984920149	825465760	/nfs/dbraw/zinc/46/57/60/825465760.db2.gz	KBRVSTWPALNOIY-XYJFISCASA-N	1	0	369.469	1.337	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3OCC(N)=O)C[C@@H]2C1	ZINC001088034184	825490806	/nfs/dbraw/zinc/49/08/06/825490806.db2.gz	XLMZHOVEAGEKJI-CVEARBPZSA-N	1	0	357.454	1.521	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C([O-])=[NH+][C@H]2CCc3c[nH]nc3C2)CC1	ZINC000329883093	825521312	/nfs/dbraw/zinc/52/13/12/825521312.db2.gz	QSDDKVOTNIJHTF-JZXOWHBKSA-N	1	0	374.533	1.671	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C(F)(F)F)ncn3)C[C@@H]2C1	ZINC001088039064	825523056	/nfs/dbraw/zinc/52/30/56/825523056.db2.gz	XGHYTOLAHBHKRX-OLZOCXBDSA-N	1	0	352.360	1.913	20	30		FDEDRO
CN(C[C@@H]1C[C@H](F)CN1c1ccncn1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000329908722	825539426	/nfs/dbraw/zinc/53/94/26/825539426.db2.gz	LZHJKFHFIMMTQO-LZWOXQAQSA-N	1	0	362.453	1.476	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1COc2ccccc2O1	ZINC000329980151	825576469	/nfs/dbraw/zinc/57/64/69/825576469.db2.gz	KTQVLSXTNPFJTR-HZPDHXFCSA-N	1	0	362.474	1.356	20	30		FDEDRO
CC(=O)N1CCC[C@@H](CNC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C1	ZINC000329983690	825577987	/nfs/dbraw/zinc/57/79/87/825577987.db2.gz	BLMKFABJZNRHBM-WBVHZDCISA-N	1	0	366.506	1.344	20	30		FDEDRO
CCNC(=O)N1CC[C@H](NC(=O)c2c(C)nn(C)c2-n2ccnc2C)C1	ZINC000330017294	825602702	/nfs/dbraw/zinc/60/27/02/825602702.db2.gz	QWGZSVWELZOMMH-ZDUSSCGKSA-N	1	0	359.434	1.535	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2CC)nc1	ZINC000984946318	825617772	/nfs/dbraw/zinc/61/77/72/825617772.db2.gz	MEQHYBOOKSWBLD-VYCZESIESA-N	1	0	368.481	1.512	20	30		FDEDRO
C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCc2c(ncn(C)c2=O)C1	ZINC000330099908	825635408	/nfs/dbraw/zinc/63/54/08/825635408.db2.gz	HOBITCXRPVNZPG-QLFBSQMISA-N	1	0	361.490	1.419	20	30		FDEDRO
CCn1nccc1N1CCC[C@H](NC(=O)N(C)CC[NH+]2CCCC2)C1=O	ZINC000330106063	825640416	/nfs/dbraw/zinc/64/04/16/825640416.db2.gz	KIVKWRSXFNJPFJ-HNNXBMFYSA-N	1	0	362.478	1.340	20	30		FDEDRO
O=C(NCc1cn2c(n1)CCCC2)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000330125620	825659280	/nfs/dbraw/zinc/65/92/80/825659280.db2.gz	BQOBATLRMOWTTO-IAGOWNOFSA-N	1	0	361.490	1.601	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc(N4CCOCC4)nc3)CC[C@H]21	ZINC000330162014	825694455	/nfs/dbraw/zinc/69/44/55/825694455.db2.gz	SDJZMPMVDMANOX-QZTJIDSGSA-N	1	0	373.501	1.748	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1	ZINC000330271579	825783217	/nfs/dbraw/zinc/78/32/17/825783217.db2.gz	WCXHBTSIFNLGER-RDTXWAMCSA-N	1	0	359.430	1.336	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCO[C@H](C)C3)CC[C@@H]2C1	ZINC001088066683	825802463	/nfs/dbraw/zinc/80/24/63/825802463.db2.gz	UZAGLJTWQCHYBS-ZACQAIPSSA-N	1	0	363.502	1.226	20	30		FDEDRO
Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CCCC1	ZINC000330322507	825915547	/nfs/dbraw/zinc/91/55/47/825915547.db2.gz	SNDFGGZVIUUCTK-IYBDPMFKSA-N	1	0	373.501	1.674	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(OCC#N)cc1	ZINC000281232198	825918608	/nfs/dbraw/zinc/91/86/08/825918608.db2.gz	UVMZKSLGUHFIKS-UONOGXRCSA-N	1	0	353.426	1.798	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H](C)C3CC3)[C@@H]2CC)CC1	ZINC000984988522	826002261	/nfs/dbraw/zinc/00/22/61/826002261.db2.gz	IMDYRAATNAMGQW-ZYSHUDEJSA-N	1	0	359.514	1.873	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCCO3)[C@@H]2CC)CC1	ZINC000984989419	826006519	/nfs/dbraw/zinc/00/65/19/826006519.db2.gz	RGBINDUUBAOWDS-RCCFBDPRSA-N	1	0	361.486	1.006	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)CCC[NH+]1CCCC1	ZINC000281550721	826035539	/nfs/dbraw/zinc/03/55/39/826035539.db2.gz	VOAVZUFFQFEPSG-HNNXBMFYSA-N	1	0	358.442	1.860	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CCN1C(=O)[C@@H](C)C#N	ZINC000985075771	826287177	/nfs/dbraw/zinc/28/71/77/826287177.db2.gz	RTHOQQUJQHMHNB-AFAVFJNCSA-N	1	0	353.426	1.912	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C4(C(N)=O)CC4)C[C@@H]3C2)s1	ZINC001088088713	826320911	/nfs/dbraw/zinc/32/09/11/826320911.db2.gz	IHDXCPGXYBGGDK-OLZOCXBDSA-N	1	0	358.467	1.166	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](C[C@@H]4CCCOC4)CC[C@@H]3C2)nn1	ZINC001088133279	826572004	/nfs/dbraw/zinc/57/20/04/826572004.db2.gz	ZMWINWZQKMLZSF-BBWFWOEESA-N	1	0	359.474	1.285	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3nnn(C)c3C(F)(F)F)C[C@@H]2C1	ZINC001088134131	826590158	/nfs/dbraw/zinc/59/01/58/826590158.db2.gz	SVVFODABSAGUJL-NEPJUHHUSA-N	1	0	357.380	1.804	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4nc[nH]n4)C[C@@H]3C2)c(F)c1	ZINC001088144453	826697704	/nfs/dbraw/zinc/69/77/04/826697704.db2.gz	KDNFZYPVQTYEJY-HIFRSBDPSA-N	1	0	354.389	1.410	20	30		FDEDRO
CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](CC#Cc4ccccc4)CC[C@@H]3C2)nn1	ZINC001088154966	826883902	/nfs/dbraw/zinc/88/39/02/826883902.db2.gz	OQVMNWLRCOOXEA-MOPGFXCFSA-N	1	0	363.465	1.744	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4nocc4C)C[C@@H]3C2)C1=O	ZINC001088162311	826926053	/nfs/dbraw/zinc/92/60/53/826926053.db2.gz	MBBKCADGIMRVAP-PMPSAXMXSA-N	1	0	358.442	1.164	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2CC)nc1	ZINC000985209659	826929119	/nfs/dbraw/zinc/92/91/19/826929119.db2.gz	GXFZDAIBQPPJJG-JQHSSLGASA-N	1	0	356.470	1.512	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCNC(=O)C2CCC2)C[C@H]1C(F)(F)F	ZINC001112178840	827165482	/nfs/dbraw/zinc/16/54/82/827165482.db2.gz	GXRPJFWIGRERKK-ZIAGYGMSSA-N	1	0	361.408	1.848	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CC[NH+]1CCCCC1	ZINC000987546343	833196370	/nfs/dbraw/zinc/19/63/70/833196370.db2.gz	BAPKDYSXEHYVJO-ZBFHGGJFSA-N	1	0	357.458	1.482	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)COc3ccc(C(N)=O)cc3)C[C@@H]2C1	ZINC001088206006	827464519	/nfs/dbraw/zinc/46/45/19/827464519.db2.gz	YMWKCYNTXRZVDG-MSOLQXFVSA-N	1	0	371.481	1.911	20	30		FDEDRO
C=C(C)COc1cc(C[NH+]2CCC3(CC2)NC(=O)NC3=O)ccc1OC	ZINC000508653477	833205463	/nfs/dbraw/zinc/20/54/63/833205463.db2.gz	FUXJNCQRVUEGJZ-UHFFFAOYSA-N	1	0	359.426	1.824	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccnc(-n4cncn4)c3)C[C@@H]2C1	ZINC001088220145	827544728	/nfs/dbraw/zinc/54/47/28/827544728.db2.gz	NQSAPZALGNEINC-SJORKVTESA-N	1	0	350.426	1.080	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(CO[C@H]2CC[N@H+](CCO)C2)CC1	ZINC001088239523	827662724	/nfs/dbraw/zinc/66/27/24/827662724.db2.gz	ZCZAWKRSDPUPRN-FHWLQOOXSA-N	1	0	366.502	1.289	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3CCO[C@H]3C(=C)C)CC2)C1	ZINC001088239529	827665895	/nfs/dbraw/zinc/66/58/95/827665895.db2.gz	ZFBAYSJXNOKFGO-AABGKKOBSA-N	1	0	360.498	1.930	20	30		FDEDRO
Cn1ccc(CCC(=O)N2CC[C@H]3CN(CC#Cc4ccccc4)C[C@H]32)n1	ZINC001075850174	827701894	/nfs/dbraw/zinc/70/18/94/827701894.db2.gz	XOIALRMYFOZRNL-PZJWPPBQSA-N	1	0	362.477	1.937	20	30		FDEDRO
CCC[C@H]1CN(C(=O)NCc2nc(C#N)cs2)CC[N@@H+]1CCOC	ZINC000897286469	827720814	/nfs/dbraw/zinc/72/08/14/827720814.db2.gz	QPQFRAPPXLVBON-AWEZNQCLSA-N	1	0	351.476	1.657	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CCn2cccc2)C[C@H]1C(F)(F)F	ZINC001112183609	827727145	/nfs/dbraw/zinc/72/71/45/827727145.db2.gz	QXAAEWPGYWSKQS-HUUCEWRRSA-N	1	0	357.376	1.507	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1=O	ZINC001168068209	827798563	/nfs/dbraw/zinc/79/85/63/827798563.db2.gz	HIXALZQUFHRCSG-OTWHNJEPSA-N	1	0	355.482	1.981	20	30		FDEDRO
[NH2+]=C(NCCN1CCN(C(=O)C2CCCCC2)CC1)Nc1ccccn1	ZINC000262523702	827905361	/nfs/dbraw/zinc/90/53/61/827905361.db2.gz	JQFCZWAXZXMKIP-UHFFFAOYSA-N	1	0	358.490	1.533	20	30		FDEDRO
Cc1cc(C[NH+](C)C)ccc1NC(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000909613625	828226041	/nfs/dbraw/zinc/22/60/41/828226041.db2.gz	RNYYAGVGXKCCFJ-HNENSFHCSA-N	1	0	356.426	1.912	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H](C)C(=O)N2Cc3ccccc3C2)CC1	ZINC000527225119	828997417	/nfs/dbraw/zinc/99/74/17/828997417.db2.gz	DUCPOZVNAFZNRT-HNNXBMFYSA-N	1	0	356.470	1.867	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCC1)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1	ZINC000527298546	829023752	/nfs/dbraw/zinc/02/37/52/829023752.db2.gz	YBUYYXHJSUVHAP-KZNAEPCWSA-N	1	0	361.534	1.428	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC	ZINC000645547032	829037269	/nfs/dbraw/zinc/03/72/69/829037269.db2.gz	OXHZZIXPEFQIBM-VAMGGRTRSA-N	1	0	373.497	1.597	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc3c2OCC[C@@H]3OC)CC1	ZINC000448362839	829100411	/nfs/dbraw/zinc/10/04/11/829100411.db2.gz	ARKOIXQNMHJBIR-KRWDZBQOSA-N	1	0	373.453	1.862	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1NC(=O)CC[C@H]1CCCO1	ZINC001211903278	829232671	/nfs/dbraw/zinc/23/26/71/829232671.db2.gz	ICPVWYGTKRZUHO-GUDVDZBRSA-N	1	0	357.454	1.833	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(C(=O)N2CCCC2)CC1	ZINC000528338517	829358207	/nfs/dbraw/zinc/35/82/07/829358207.db2.gz	NPBFLDDFFOAHKO-GOSISDBHSA-N	1	0	357.454	1.632	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(C[C@H](O)COc3ccccc3C#N)CC2)C1	ZINC000528418321	829395664	/nfs/dbraw/zinc/39/56/64/829395664.db2.gz	UVCYEJZJUBNUOX-MOPGFXCFSA-N	1	0	358.486	1.010	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1	ZINC000528461643	829414980	/nfs/dbraw/zinc/41/49/80/829414980.db2.gz	BCPMFDHQOALOGN-ZIAGYGMSSA-N	1	0	371.359	1.298	20	30		FDEDRO
C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CC#CCN1C(=O)c2ccccc2C1=O	ZINC000528502964	829428868	/nfs/dbraw/zinc/42/88/68/829428868.db2.gz	JKMQUSCCTFBSQC-APWZRJJASA-N	1	0	351.450	1.845	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CC3(CCOCC3)CC[C@@H]2CO)cc1	ZINC000528637036	829492182	/nfs/dbraw/zinc/49/21/82/829492182.db2.gz	SSIVPAVEXHRDTB-QZTJIDSGSA-N	1	0	360.454	1.551	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NC(C)(C)CC	ZINC001168110034	829533580	/nfs/dbraw/zinc/53/35/80/829533580.db2.gz	KOQSZOUTMBQJOC-PMPSAXMXSA-N	1	0	353.507	1.757	20	30		FDEDRO
COc1ccc([C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C2CC2)cn1	ZINC000528849306	829583713	/nfs/dbraw/zinc/58/37/13/829583713.db2.gz	FFLLYTHFMHIBEE-SFHVURJKSA-N	1	0	372.450	1.871	20	30		FDEDRO
C[C@]1(C2CCN(C(NCCc3ccco3)=[NH+]C3CC3)CC2)NC(=O)NC1=O	ZINC000262656008	829852254	/nfs/dbraw/zinc/85/22/54/829852254.db2.gz	KNBWJEPYFOVKDU-LJQANCHMSA-N	1	0	373.457	1.240	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)CCC4CC4)C[C@@H]3C2)CC1	ZINC000985845203	829888877	/nfs/dbraw/zinc/88/88/77/829888877.db2.gz	TYUAOXDXJGSORX-UXHICEINSA-N	1	0	371.525	1.829	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cc(OC)ccc2OC)[C@@H](O)C1	ZINC001083458636	837406069	/nfs/dbraw/zinc/40/60/69/837406069.db2.gz	YLSAQMASYYMTHR-HPBDAGMYSA-N	1	0	360.454	1.545	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C1)[NH+](C)C	ZINC000985974669	830225590	/nfs/dbraw/zinc/22/55/90/830225590.db2.gz	FEJVJFXCYULSPX-VKJFTORMSA-N	1	0	371.485	1.393	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]3C2)C1	ZINC000985979439	830231281	/nfs/dbraw/zinc/23/12/81/830231281.db2.gz	LIMXNDVFYVEBOM-UXLLHSPISA-N	1	0	369.469	1.149	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1	ZINC000451708506	830430186	/nfs/dbraw/zinc/43/01/86/830430186.db2.gz	MYOYVHARFAFLIV-IAGOWNOFSA-N	1	0	358.486	1.841	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)CC1	ZINC000986083979	830604962	/nfs/dbraw/zinc/60/49/62/830604962.db2.gz	SLCWJMYAAASDJO-UXHICEINSA-N	1	0	371.525	1.827	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)ccc1C#N	ZINC000453662920	830992779	/nfs/dbraw/zinc/99/27/79/830992779.db2.gz	CKATVABDWSDSCF-INIZCTEOSA-N	1	0	355.442	1.677	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c1	ZINC000453681658	831017065	/nfs/dbraw/zinc/01/70/65/831017065.db2.gz	WDMCUGGDVDWHGF-QGZVFWFLSA-N	1	0	358.442	1.014	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)ccc1C#N	ZINC000453708032	831033263	/nfs/dbraw/zinc/03/32/63/831033263.db2.gz	LFAOKNHDRYURKX-INIZCTEOSA-N	1	0	355.442	1.677	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)c1	ZINC000453741694	831053831	/nfs/dbraw/zinc/05/38/31/831053831.db2.gz	FKZYOCXFRHJIEX-OAHLLOKOSA-N	1	0	358.442	1.422	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1	ZINC000453819838	831097349	/nfs/dbraw/zinc/09/73/49/831097349.db2.gz	NLGMXQVJNKPPTP-QGZVFWFLSA-N	1	0	359.470	1.707	20	30		FDEDRO
CC1CC(C#N)(C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1	ZINC000532321461	831136501	/nfs/dbraw/zinc/13/65/01/831136501.db2.gz	FGNXCCLWLQFNDW-GFBDMGBSSA-N	1	0	368.481	1.940	20	30		FDEDRO
C=C1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@@H]3C2)CC1	ZINC000986135763	831188648	/nfs/dbraw/zinc/18/86/48/831188648.db2.gz	WNAAKPRJAJBXAZ-QYZOEREBSA-N	1	0	359.514	1.991	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CC45CC5)C[C@H]3C2)CC1	ZINC000986247238	831360123	/nfs/dbraw/zinc/36/01/23/831360123.db2.gz	YDFWNAYXQCETNW-CEXWTWQISA-N	1	0	369.509	1.439	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)[C@H](C)CC)C[C@H]3C2)CC1	ZINC000986247281	831360830	/nfs/dbraw/zinc/36/08/30/831360830.db2.gz	ZQCSPZGIRNZAOX-QRQLOZEOSA-N	1	0	359.514	1.685	20	30		FDEDRO
C[NH+]=C(NCCOc1ncccc1F)N1CCN(c2ccccn2)CC1	ZINC000262794108	831466895	/nfs/dbraw/zinc/46/68/95/831466895.db2.gz	PCDNFMYRKPIDGE-UHFFFAOYSA-N	1	0	358.421	1.392	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)CC4(C)CC4)C[C@@H]3C2)CC1	ZINC000986410071	831633830	/nfs/dbraw/zinc/63/38/30/831633830.db2.gz	IXNWXSNTBOTJGP-MOPGFXCFSA-N	1	0	371.525	1.829	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]3C2)cc1	ZINC000986426206	831661819	/nfs/dbraw/zinc/66/18/19/831661819.db2.gz	XIJUJXWPKGBHNN-AABGKKOBSA-N	1	0	367.493	1.929	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](CCNC(=O)C[NH+](CC)CC)C1	ZINC001059724802	831835620	/nfs/dbraw/zinc/83/56/20/831835620.db2.gz	AIJFUXPEHVOMPX-AOIWGVFYSA-N	1	0	365.518	1.664	20	30		FDEDRO
Cc1c(C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cnn1CCC#N	ZINC000897380207	831896121	/nfs/dbraw/zinc/89/61/21/831896121.db2.gz	FAWKTEXMWMVUMO-UHFFFAOYSA-N	1	0	372.517	1.595	20	30		FDEDRO
C#Cc1ccc(C(=O)NCC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC001059730962	831998766	/nfs/dbraw/zinc/99/87/66/831998766.db2.gz	VDMGUPIERFWYPY-KBAYOESNSA-N	1	0	368.481	1.372	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1C(F)(F)F	ZINC001112211899	832050060	/nfs/dbraw/zinc/05/00/60/832050060.db2.gz	BQEFCCUAEXEKSI-VXGBXAGGSA-N	1	0	360.380	1.283	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@H]1C	ZINC000988841348	837597576	/nfs/dbraw/zinc/59/75/76/837597576.db2.gz	KYGAZZOKQAGECB-LSTHTHJFSA-N	1	0	367.493	1.800	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4C[C@H]4CC)C[C@@H]3C2)CC1	ZINC000986735629	832251606	/nfs/dbraw/zinc/25/16/06/832251606.db2.gz	NDPTUYJQFSNNNU-RSPOEFSDSA-N	1	0	371.525	1.685	20	30		FDEDRO
C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1	ZINC001105438942	832345415	/nfs/dbraw/zinc/34/54/15/832345415.db2.gz	RZUFGYAGTRZELX-MIALQEHNSA-N	1	0	357.454	1.012	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C	ZINC000453933049	832349739	/nfs/dbraw/zinc/34/97/39/832349739.db2.gz	LJIPTZKTRQLCCS-CVEARBPZSA-N	1	0	361.442	1.334	20	30		FDEDRO
[NH2+]=C(NCC1(N2CCOCC2)CCOCC1)N[C@H]1CCOc2ccccc21	ZINC000263101181	832393452	/nfs/dbraw/zinc/39/34/52/832393452.db2.gz	JYFRHQQYUJVWHZ-KRWDZBQOSA-N	1	0	374.485	1.296	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C[C@@H](O)c1ccccc1F	ZINC001088523154	832410127	/nfs/dbraw/zinc/41/01/27/832410127.db2.gz	SXECKHBEPBMJQV-PZPSRYQVSA-N	1	0	356.401	1.952	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C[C@H]1COc2ccccc2O1	ZINC001088529545	832460407	/nfs/dbraw/zinc/46/04/07/832460407.db2.gz	BABCZDSLZQBKOH-KBMXLJTQSA-N	1	0	366.421	1.919	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]21	ZINC001075885238	832517453	/nfs/dbraw/zinc/51/74/53/832517453.db2.gz	MNXRNTRDLYABDV-PKOBYXMFSA-N	1	0	370.497	1.833	20	30		FDEDRO
C=CCOCCCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000666519885	833897996	/nfs/dbraw/zinc/89/79/96/833897996.db2.gz	XKFJAESSBWSEFW-RBUKOAKNSA-N	1	0	361.486	1.761	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000988025252	833937615	/nfs/dbraw/zinc/93/76/15/833937615.db2.gz	BNHJCBJYCVNUJS-FFZOFVMBSA-N	1	0	371.525	1.685	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C)CC[N@@H+]1C	ZINC000988334860	834392433	/nfs/dbraw/zinc/39/24/33/834392433.db2.gz	FQWLIORROVIWLM-VWNJHIHFSA-N	1	0	357.458	1.336	20	30		FDEDRO
C=CCN(C(=O)C[C@@H]1COCC[NH2+]1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000262570090	837772269	/nfs/dbraw/zinc/77/22/69/837772269.db2.gz	SFRORSUNCIHHNM-GOEBONIOSA-N	1	0	356.430	1.116	20	30		FDEDRO
C=C(CC)CNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC	ZINC000454041388	834501722	/nfs/dbraw/zinc/50/17/22/834501722.db2.gz	XYLUDCOTUOMHDR-UHFFFAOYSA-N	1	0	374.485	1.858	20	30		FDEDRO
Cn1c(CC#N)nn(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)c1=S	ZINC000799952747	834953369	/nfs/dbraw/zinc/95/33/69/834953369.db2.gz	PWEAVFCQRHHJNA-AWEZNQCLSA-N	1	0	350.492	1.019	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000897476164	834973958	/nfs/dbraw/zinc/97/39/58/834973958.db2.gz	LMEWUBABRLKHSA-CQSZACIVSA-N	1	0	372.473	1.740	20	30		FDEDRO
C=CC[N@@H+](CCN1C(=O)N[C@H](C)C1=O)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000459339490	835008742	/nfs/dbraw/zinc/00/87/42/835008742.db2.gz	DGTZDEXZDDJWLD-KGLIPLIRSA-N	1	0	369.429	1.152	20	30		FDEDRO
Cc1cc(OCC(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)no1	ZINC001075908944	835264169	/nfs/dbraw/zinc/26/41/69/835264169.db2.gz	GHSGNBNZAKTCIW-ZWKOTPCHSA-N	1	0	366.421	1.966	20	30		FDEDRO
O=C(NCC#Cc1ccccc1)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1	ZINC000419116868	835435694	/nfs/dbraw/zinc/43/56/94/835435694.db2.gz	PHJMCGOVEBIQOE-MOPGFXCFSA-N	1	0	353.466	1.535	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CNc2ccccc2O[C@H](C)C#N)C1	ZINC000245693492	835548569	/nfs/dbraw/zinc/54/85/69/835548569.db2.gz	KQLGMBUZTRFFSU-SJORKVTESA-N	1	0	374.485	1.862	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cccn3nnnc23)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088591434	835595937	/nfs/dbraw/zinc/59/59/37/835595937.db2.gz	DTWFKUNRDXGRTJ-DYVFJYSZSA-N	1	0	361.409	1.389	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3ccccn3)[C@@H]2C)CC1	ZINC000988508827	835653963	/nfs/dbraw/zinc/65/39/63/835653963.db2.gz	KQQGVPNVKKRIRU-WBVHZDCISA-N	1	0	354.454	1.146	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)Cc3ccc[nH]3)[C@@H]2C)CC1	ZINC000988506153	835657312	/nfs/dbraw/zinc/65/73/12/835657312.db2.gz	JGOSCGKINUUNHF-QAPCUYQASA-N	1	0	356.470	1.008	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3[nH]cnc3CC)[C@@H]2C)CC1	ZINC000988506871	835660630	/nfs/dbraw/zinc/66/06/30/835660630.db2.gz	RFTOHTFCNIGSCB-PBHICJAKSA-N	1	0	371.485	1.037	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3[nH]c(C)nc3C)[C@@H]2C)CC1	ZINC000988507918	835663242	/nfs/dbraw/zinc/66/32/42/835663242.db2.gz	XVRHQNZQGHNZMA-PBHICJAKSA-N	1	0	371.485	1.091	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCCC[N@H+]3CC)[C@H]2C)nc1	ZINC000988515841	835723580	/nfs/dbraw/zinc/72/35/80/835723580.db2.gz	XXNHTBFLBWYZRX-HHXXYDBFSA-N	1	0	368.481	1.657	20	30		FDEDRO
C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H]1C)N1C(=O)CCC1=O	ZINC001088601878	835945993	/nfs/dbraw/zinc/94/59/93/835945993.db2.gz	PALYYKKNEBBYLY-CPUCHLNUSA-N	1	0	368.437	1.175	20	30		FDEDRO
C=CC(C)(C)CNC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1	ZINC000455375671	836025039	/nfs/dbraw/zinc/02/50/39/836025039.db2.gz	ZVHUKXLQKIVBRN-UHFFFAOYSA-N	1	0	374.489	1.357	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC([NH+](CCOC)CCOC)CC1	ZINC000455429905	836045811	/nfs/dbraw/zinc/04/58/11/836045811.db2.gz	UVJYRYCLBACGFA-MSOLQXFVSA-N	1	0	369.506	1.489	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COc2cccc(C)c2)C[C@H]1OC	ZINC001212024346	836306256	/nfs/dbraw/zinc/30/62/56/836306256.db2.gz	SJQIQHFYERTTSO-QXAKKESOSA-N	1	0	362.470	1.516	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc(C)nc2C)[C@@H]1C	ZINC000988733423	836906399	/nfs/dbraw/zinc/90/63/99/836906399.db2.gz	CISJORRNGHGVDK-NEWSRXKRSA-N	1	0	368.481	1.515	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)c1	ZINC000938039197	837181226	/nfs/dbraw/zinc/18/12/26/837181226.db2.gz	HSTLBSQALJZUDO-OKZBNKHCSA-N	1	0	354.454	1.124	20	30		FDEDRO
C#CCC[NH+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1	ZINC000272008335	838427489	/nfs/dbraw/zinc/42/74/89/838427489.db2.gz	JMKJYHJUTBTGBN-UHFFFAOYSA-N	1	0	360.414	1.573	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@H]1CC(=O)N(C2CC2)C1)C(C)C	ZINC000272553781	838438432	/nfs/dbraw/zinc/43/84/32/838438432.db2.gz	FONADRUOUUOOOB-FUHWJXTLSA-N	1	0	362.518	1.995	20	30		FDEDRO
COc1cc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)ccc1OCc1cccc(C#N)c1	ZINC000459689097	838914443	/nfs/dbraw/zinc/91/44/43/838914443.db2.gz	IDYSXTKEECIYHU-RBUKOAKNSA-N	1	0	368.433	1.931	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1	ZINC000459824155	838967408	/nfs/dbraw/zinc/96/74/08/838967408.db2.gz	SJXQCKQTIGTKLD-JWTNVVGKSA-N	1	0	362.518	1.180	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(CCC([NH2+]CCOCC)CC2)C1	ZINC001105481818	839771841	/nfs/dbraw/zinc/77/18/41/839771841.db2.gz	GRKCGTFBSAWQFL-NNVNDSJASA-N	1	0	366.502	1.744	20	30		FDEDRO
C#CCOc1cccc(Cl)c1C[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1	ZINC000897607306	839945771	/nfs/dbraw/zinc/94/57/71/839945771.db2.gz	ISSZKJPSSSBMPT-OLZOCXBDSA-N	1	0	356.875	1.708	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN(C)C(=S)NCC2CC[NH+](C)CC2)c1	ZINC000760467287	839986138	/nfs/dbraw/zinc/98/61/38/839986138.db2.gz	CUIAYKQSSJAEFS-UHFFFAOYSA-N	1	0	358.511	1.755	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)Cc3ccco3)[C@H]2C)CC1	ZINC000989421165	840082248	/nfs/dbraw/zinc/08/22/48/840082248.db2.gz	UBQAVLAHSIKOGA-QAPCUYQASA-N	1	0	357.454	1.273	20	30		FDEDRO
N#CCCCCNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000897667422	840216447	/nfs/dbraw/zinc/21/64/47/840216447.db2.gz	NVQCZZJHHDHJNA-RBUKOAKNSA-N	1	0	368.481	1.777	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000897754233	840317822	/nfs/dbraw/zinc/31/78/22/840317822.db2.gz	REDMVEIWZGYYEP-QGZVFWFLSA-N	1	0	372.513	1.916	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C)n3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105593918	840379522	/nfs/dbraw/zinc/37/95/22/840379522.db2.gz	ISGMLSKFAVVZPA-VELGLUOQSA-N	1	0	357.498	1.937	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NC2CCC([NH+](C)C)CC2)cc1C#N	ZINC000898092871	840744612	/nfs/dbraw/zinc/74/46/12/840744612.db2.gz	KDFGAHYURWMQLQ-UHFFFAOYSA-N	1	0	358.442	1.172	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105598120	840767481	/nfs/dbraw/zinc/76/74/81/840767481.db2.gz	LDNVONUJKXCTJV-ANTGDGSKSA-N	1	0	355.482	1.993	20	30		FDEDRO
CCOC(=O)N1C[C@H](CO)[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1	ZINC000898353406	840988014	/nfs/dbraw/zinc/98/80/14/840988014.db2.gz	GVZHTGXTUZGQLQ-VQIMIIECSA-N	1	0	372.469	1.566	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnns3)[C@H]2C(C)C)C[C@H]1O	ZINC001105600824	841013625	/nfs/dbraw/zinc/01/36/25/841013625.db2.gz	NQXMKSRQVAJXIO-LNCBFAARSA-N	1	0	350.488	1.694	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnns3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105600822	841013939	/nfs/dbraw/zinc/01/39/39/841013939.db2.gz	NQXMKSRQVAJXIO-GKLJAUDBSA-N	1	0	350.488	1.694	20	30		FDEDRO
C=CCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3nccn3C)C2)[C@H]1C(C)C	ZINC001105603714	841178822	/nfs/dbraw/zinc/17/88/22/841178822.db2.gz	OMAGGVDHPUIIIF-XNFNUYLZSA-N	1	0	360.502	1.852	20	30		FDEDRO
C=CCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCn3cccn3)C2)[C@H]1C(C)C	ZINC001105607599	841231561	/nfs/dbraw/zinc/23/15/61/841231561.db2.gz	UKXSLNXCUPUJPX-HNBVOPMISA-N	1	0	360.502	1.815	20	30		FDEDRO
C=CCOCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCOCC)C2)[C@H]1C(C)C	ZINC001105609824	841398342	/nfs/dbraw/zinc/39/83/42/841398342.db2.gz	BQCZQYMYAMBLIG-RWQQGDIJSA-N	1	0	354.491	1.192	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(N)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105610438	841629877	/nfs/dbraw/zinc/62/98/77/841629877.db2.gz	KLAYMEHYKXXPEX-SMOSDQRPSA-N	1	0	367.534	1.798	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3CCOCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105610997	841735205	/nfs/dbraw/zinc/73/52/05/841735205.db2.gz	OGHVKPMLBFBOBP-RMVXJAJNSA-N	1	0	362.514	1.793	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccncc3F)[C@H]2C(C)C)C[C@H]1O	ZINC001105611551	841896789	/nfs/dbraw/zinc/89/67/89/841896789.db2.gz	SLKYEVWUYIBVEV-XSYGEPLQSA-N	1	0	359.445	1.824	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH]c(C#N)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105623134	842250715	/nfs/dbraw/zinc/25/07/15/842250715.db2.gz	NGVJETYUPBIAEV-FTEYMNFISA-N	1	0	354.454	1.489	20	30		FDEDRO
CC(C)OCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C#CC3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105626646	842257636	/nfs/dbraw/zinc/25/76/36/842257636.db2.gz	FFRWLHNQIZNRSA-RMVXJAJNSA-N	1	0	362.514	1.791	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(C)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105626765	842257711	/nfs/dbraw/zinc/25/77/11/842257711.db2.gz	HJCRFXLUAIXVEF-PDOICOKGSA-N	1	0	350.503	1.955	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCC=C)C2)[C@@H]1C(C)C	ZINC001105631461	842264084	/nfs/dbraw/zinc/26/40/84/842264084.db2.gz	CMZFTAOLQQHXAR-QCFAMHMHSA-N	1	0	362.514	1.959	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCOCC3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105631469	842264773	/nfs/dbraw/zinc/26/47/73/842264773.db2.gz	COFXSJUZDCCZKB-QCFAMHMHSA-N	1	0	362.514	1.793	20	30		FDEDRO
COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105614006	842265502	/nfs/dbraw/zinc/26/55/02/842265502.db2.gz	FBVQCZADGCVYQE-MTNOOBJLSA-N	1	0	360.458	1.112	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc(=O)[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105614374	842265682	/nfs/dbraw/zinc/26/56/82/842265682.db2.gz	HBCCETOQUSDVJC-QQTQMKHKSA-N	1	0	359.470	1.943	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnc(OC)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637880	842274519	/nfs/dbraw/zinc/27/45/19/842274519.db2.gz	WYTZPIJOGJOQEK-VGUOSERISA-N	1	0	371.481	1.693	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cncs3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637995	842275228	/nfs/dbraw/zinc/27/52/28/842275228.db2.gz	YOIGKERAMNEROP-PSBWJHGTSA-N	1	0	361.511	1.675	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]C/C=C/Cl)C2)[C@H]1C(C)C	ZINC001105632524	842279658	/nfs/dbraw/zinc/27/96/58/842279658.db2.gz	MEEJSPNQMPKZIP-OAJNOYMTSA-N	1	0	368.905	1.745	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cnc(C)o3)[C@H]2C(C)C)C[C@H]1O	ZINC001105632503	842279951	/nfs/dbraw/zinc/27/99/51/842279951.db2.gz	LZFVKTWQHSQJEI-JYBIWHBTSA-N	1	0	359.470	1.515	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3(COC)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105633351	842282149	/nfs/dbraw/zinc/28/21/49/842282149.db2.gz	SINBJDQPTJHWRY-VGUOSERISA-N	1	0	362.514	1.793	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc[nH]c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105634059	842282984	/nfs/dbraw/zinc/28/29/84/842282984.db2.gz	ZCPYVJTYVXDLLQ-XSYGEPLQSA-N	1	0	359.470	1.244	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105643412	842335772	/nfs/dbraw/zinc/33/57/72/842335772.db2.gz	XYHKGADCLBNAKN-LBKNJMOBSA-N	1	0	360.502	1.966	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(C)CCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105651406	842446669	/nfs/dbraw/zinc/44/66/69/842446669.db2.gz	GTIMUBFEPYCEHY-DCXXXQMHSA-N	1	0	362.514	1.793	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)CNC(C)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105655316	842483191	/nfs/dbraw/zinc/48/31/91/842483191.db2.gz	HJYHVCPKMPNJMR-PDOICOKGSA-N	1	0	365.518	1.301	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C3)[C@H]2C(C)C)CC1	ZINC001105657033	842490563	/nfs/dbraw/zinc/49/05/63/842490563.db2.gz	VELPKQHYUOOGJW-YVTWGWGSSA-N	1	0	363.502	1.184	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncc(C#C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105656159	842491142	/nfs/dbraw/zinc/49/11/42/842491142.db2.gz	NIFQZLBDUQUANT-NXLVEIQXSA-N	1	0	365.477	1.666	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3ccc(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105657281	842494126	/nfs/dbraw/zinc/49/41/26/842494126.db2.gz	XSDRPLAOBKOXEN-HNBVOPMISA-N	1	0	358.486	1.181	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccn(C)c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105659509	842510288	/nfs/dbraw/zinc/51/02/88/842510288.db2.gz	OSVGTOMHFGKPHF-ANTGDGSKSA-N	1	0	357.498	1.937	20	30		FDEDRO
C=CCCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCOCCO)C2)[C@@H]1C(C)C	ZINC001105660823	842579064	/nfs/dbraw/zinc/57/90/64/842579064.db2.gz	YYBJXCQHVNWBAJ-JYBIWHBTSA-N	1	0	368.518	1.318	20	30		FDEDRO
COc1cc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)nn1C	ZINC001088731513	842640901	/nfs/dbraw/zinc/64/09/01/842640901.db2.gz	SMKGPKJFPZZXNA-CJNGLKHVSA-N	1	0	353.426	1.693	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)n[nH]c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105661454	842712935	/nfs/dbraw/zinc/71/29/35/842712935.db2.gz	IUMHEBYWWQVSPB-HBXLWWENSA-N	1	0	358.486	1.630	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnc(C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105662022	842733780	/nfs/dbraw/zinc/73/37/80/842733780.db2.gz	MDZSBTWHASLETL-BNDYYXHWSA-N	1	0	355.482	1.993	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105663123	842809847	/nfs/dbraw/zinc/80/98/47/842809847.db2.gz	RLZVWNXZCWILJH-NWGLXNPWSA-N	1	0	361.490	1.361	20	30		FDEDRO
Cn1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@H]32)cc1=O	ZINC001075959452	842826365	/nfs/dbraw/zinc/82/63/65/842826365.db2.gz	HWCJCFFEDKRNCI-WMLDXEAASA-N	1	0	368.462	1.665	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCCCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105665740	843016368	/nfs/dbraw/zinc/01/63/68/843016368.db2.gz	BURDDBHWSWZKHL-JYBIWHBTSA-N	1	0	366.502	1.029	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(=O)NCC3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105666785	843321911	/nfs/dbraw/zinc/32/19/11/843321911.db2.gz	JUILPYASEPIJRT-WOCWXWTJSA-N	1	0	363.502	1.055	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nc(C)oc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105666949	843367295	/nfs/dbraw/zinc/36/72/95/843367295.db2.gz	LSSIORYUDMLOIF-HBXLWWENSA-N	1	0	359.470	1.894	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(CC)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105667133	843492657	/nfs/dbraw/zinc/49/26/57/843492657.db2.gz	OJOIQJYLRWHLSN-LBKNJMOBSA-N	1	0	358.486	1.506	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc(OC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105667224	843544843	/nfs/dbraw/zinc/54/48/43/843544843.db2.gz	PSJSGICKBUDYAY-PLOVASNDSA-N	1	0	371.481	1.693	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(Cl)no3)[C@H]2C(C)C)C[C@H]1O	ZINC001105668313	843787602	/nfs/dbraw/zinc/78/76/02/843787602.db2.gz	JDHDTRHUMIDCBM-GQGSAGHOSA-N	1	0	365.861	1.931	20	30		FDEDRO
CC1(C)CC[N@H+](CCNC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1	ZINC000898595203	844907261	/nfs/dbraw/zinc/90/72/61/844907261.db2.gz	ZRUBTZUNPCDGAX-UHFFFAOYSA-N	1	0	356.474	1.517	20	30		FDEDRO
CC1(C)CC[N@H+](CCNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000898597694	844912828	/nfs/dbraw/zinc/91/28/28/844912828.db2.gz	JHRSWTIKLLXGBZ-UHFFFAOYSA-N	1	0	356.474	1.517	20	30		FDEDRO
C[N@@H+](C[C@H](O)c1cccc(C#N)c1)C[C@H](O)COc1ccc2c(c1)OCO2	ZINC000842147913	844937863	/nfs/dbraw/zinc/93/78/63/844937863.db2.gz	IVTOMLSTTLBMTE-WMZOPIPTSA-N	1	0	370.405	1.692	20	30		FDEDRO
C[N@H+](C[C@@H](O)COc1ccc2c(c1)OCO2)C[C@H](O)c1cccc(C#N)c1	ZINC000842147910	844938033	/nfs/dbraw/zinc/93/80/33/844938033.db2.gz	IVTOMLSTTLBMTE-AEFFLSMTSA-N	1	0	370.405	1.692	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCOC)C2)[C@H]1C(C)C	ZINC001105674340	845478765	/nfs/dbraw/zinc/47/87/65/845478765.db2.gz	WGGSLMSEDZMLMU-HNBVOPMISA-N	1	0	368.518	1.582	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCCOCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105675014	845639071	/nfs/dbraw/zinc/63/90/71/845639071.db2.gz	LFSRZGUREZFAGB-JYBIWHBTSA-N	1	0	366.502	1.029	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCn3cccc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105675464	845703701	/nfs/dbraw/zinc/70/37/01/845703701.db2.gz	OZXLUZTYPOTJCU-VURPSTOHSA-N	1	0	357.498	1.868	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCCOCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105675432	845731204	/nfs/dbraw/zinc/73/12/04/845731204.db2.gz	OKQNKOMZIAWHCV-ZAWLATJESA-N	1	0	354.491	1.192	20	30		FDEDRO
C#CC[C@@H]1NC(=O)N(CCC[NH+]2CCN(c3cccc(C)c3)CC2)C1=O	ZINC000842236365	845847721	/nfs/dbraw/zinc/84/77/21/845847721.db2.gz	NUZRLDGZLAJJSL-SFHVURJKSA-N	1	0	354.454	1.451	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCCOCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105676310	845889790	/nfs/dbraw/zinc/88/97/90/845889790.db2.gz	VUFFVWIXYIINSN-LFGUQSLTSA-N	1	0	368.518	1.582	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@]2(F)CCOC2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088816460	845901828	/nfs/dbraw/zinc/90/18/28/845901828.db2.gz	DALMWUAUXNONSB-DKSSEZFCSA-N	1	0	361.417	1.797	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(Cc3ccccc3C#N)C[C@@H]2O)C1	ZINC001083522211	846091319	/nfs/dbraw/zinc/09/13/19/846091319.db2.gz	XTUFIJBOCBWJOA-ZCNNSNEGSA-N	1	0	370.497	1.197	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(C)sc2C)C[C@@H]1O	ZINC001083537090	846949714	/nfs/dbraw/zinc/94/97/14/846949714.db2.gz	AUIZVKFAPDFYMA-SQNIBIBYSA-N	1	0	361.511	1.124	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(OC)nc4)[C@@H]3C2)C1=O	ZINC001076013576	847011893	/nfs/dbraw/zinc/01/18/93/847011893.db2.gz	GGRRFIXXABXRKU-YESZJQIVSA-N	1	0	370.453	1.023	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4ccc(C(N)=O)o4)[C@@H]3C2)c1	ZINC001076018298	847028801	/nfs/dbraw/zinc/02/88/01/847028801.db2.gz	KGIYNRRZWKUGDD-JKSUJKDBSA-N	1	0	364.405	1.597	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(Cl)[nH]4)[C@@H]3C2)C1=O	ZINC001076216335	847582957	/nfs/dbraw/zinc/58/29/57/847582957.db2.gz	VGQBHNKSCDKROK-AEGPPILISA-N	1	0	362.861	1.601	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCN(C(C)C)C4=O)C[C@H]32)c1	ZINC001076223087	847590821	/nfs/dbraw/zinc/59/08/21/847590821.db2.gz	HMZAZSXGKNEDBY-QXAKKESOSA-N	1	0	366.465	1.219	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3CN(Cc4ccccc4C#N)C[C@H]32)C1	ZINC001076242628	847665919	/nfs/dbraw/zinc/66/59/19/847665919.db2.gz	LXVAOJDRHZNEJW-LSTHTHJFSA-N	1	0	352.482	1.933	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cnoc4CC)[C@@H]3C2)C1=O	ZINC001076308274	847824596	/nfs/dbraw/zinc/82/45/96/847824596.db2.gz	YNPNPAVQGAWSSF-CWRNSKLLSA-N	1	0	358.442	1.170	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](O)c4ccccc4)C[C@H]32)nn1	ZINC001076336453	847884136	/nfs/dbraw/zinc/88/41/36/847884136.db2.gz	YDTZFKGKDGMTGN-QXAKKESOSA-N	1	0	367.453	1.344	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(OC)o4)[C@@H]3C2)C1=O	ZINC001076393711	848035272	/nfs/dbraw/zinc/03/52/72/848035272.db2.gz	STAVRWIXSMEVFO-RRFJBIMHSA-N	1	0	359.426	1.221	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(OC)cc4)[C@@H]3C2)C1=O	ZINC001076491103	848270568	/nfs/dbraw/zinc/27/05/68/848270568.db2.gz	QSPGYVQSNQFBNO-YTQUADARSA-N	1	0	369.465	1.628	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(CC)C3=O)C[C@H]21	ZINC001076504649	848303042	/nfs/dbraw/zinc/30/30/42/848303042.db2.gz	KTXXFDFCKAVPGN-XUVXKRRUSA-N	1	0	365.477	1.364	20	30		FDEDRO
C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(Cc4ccc(C#N)c(F)c4)C[C@H]32)C1	ZINC001076569495	848467017	/nfs/dbraw/zinc/46/70/17/848467017.db2.gz	YTDFMCHNXFUYAZ-YQVWRLOYSA-N	1	0	356.445	1.682	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cccn4CC)[C@@H]3C2)C1=O	ZINC001076578798	848479569	/nfs/dbraw/zinc/47/95/69/848479569.db2.gz	VHKQRIXMUXHXHX-CGTJXYLNSA-N	1	0	356.470	1.441	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2C[C@H]2C2CCC2)CC1	ZINC001076721147	848839546	/nfs/dbraw/zinc/83/95/46/848839546.db2.gz	CWDZMHIQDJTJPU-ZYSHUDEJSA-N	1	0	359.514	1.779	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1	ZINC001076739085	848908985	/nfs/dbraw/zinc/90/89/85/848908985.db2.gz	HMPWEGXUBZFFNY-XHSDSOJGSA-N	1	0	351.491	1.320	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCC(F)(F)C3)C[C@H]2O)[nH]1	ZINC001076898722	849284655	/nfs/dbraw/zinc/28/46/55/849284655.db2.gz	XJMBAQZMZNLRNK-KCPJHIHWSA-N	1	0	352.385	1.487	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCC4)C[C@H]2O)c[nH]1	ZINC001076906337	849300707	/nfs/dbraw/zinc/30/07/07/849300707.db2.gz	WLGUKYSOFUZQAM-RTBURBONSA-N	1	0	350.422	1.350	20	30		FDEDRO
C[C@@H](c1ccc2c(c1)CCC2)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1	ZINC001076907362	849301845	/nfs/dbraw/zinc/30/18/45/849301845.db2.gz	MEHKYCGDPKCZAR-CJMONDIMSA-N	1	0	364.449	1.911	20	30		FDEDRO
CCCc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)cc1	ZINC001076907604	849302008	/nfs/dbraw/zinc/30/20/08/849302008.db2.gz	VLOMYHRVKYLPSB-RTBURBONSA-N	1	0	352.438	1.814	20	30		FDEDRO
C#CCN(C(=O)NCc1cc2c([nH]c1=O)CCCC2)C1CC[NH+](C)CC1	ZINC000923951130	849319215	/nfs/dbraw/zinc/31/92/15/849319215.db2.gz	ROFGPDVNBRVMRN-UHFFFAOYSA-N	1	0	356.470	1.905	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CSCCC)C2	ZINC001112273760	849428336	/nfs/dbraw/zinc/42/83/36/849428336.db2.gz	RVWUOVPAYJSSIY-YJBOKZPZSA-N	1	0	353.532	1.650	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1O	ZINC001076986042	849476623	/nfs/dbraw/zinc/47/66/23/849476623.db2.gz	HXIMBPKATLWFBQ-GUDVDZBRSA-N	1	0	356.470	1.092	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O	ZINC001076986200	849478127	/nfs/dbraw/zinc/47/81/27/849478127.db2.gz	OSOBWPNSIGYOKI-GUDVDZBRSA-N	1	0	356.470	1.092	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(OC)c(C)c2)C[C@H]1O	ZINC001077016512	849547503	/nfs/dbraw/zinc/54/75/03/849547503.db2.gz	QKOFYDHDWLYMHG-MKXGPGLRSA-N	1	0	374.481	1.646	20	30		FDEDRO
N#Cc1cccc(CN2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)c1	ZINC001077396180	850817332	/nfs/dbraw/zinc/81/73/32/850817332.db2.gz	RYSHPHATNHATTE-RTBURBONSA-N	1	0	361.405	1.181	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1	ZINC000668388565	851150278	/nfs/dbraw/zinc/15/02/78/851150278.db2.gz	GTOMBZPVUAPTPM-KZNAEPCWSA-N	1	0	365.518	1.711	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCCN2c2cncc(C#N)n2)CC[N@@H+]1C	ZINC001060184424	851376829	/nfs/dbraw/zinc/37/68/29/851376829.db2.gz	FUWKXOVPOAYSLT-YESZJQIVSA-N	1	0	356.474	1.554	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1	ZINC000904958679	851552955	/nfs/dbraw/zinc/55/29/55/851552955.db2.gz	BCFMJMXYPBMIJK-DOTOQJQBSA-N	1	0	374.510	1.959	20	30		FDEDRO
C#CCOCC[NH2+]C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2	ZINC000905209670	851752449	/nfs/dbraw/zinc/75/24/49/851752449.db2.gz	RSKCYXIRRBFKAU-MRXNPFEDSA-N	1	0	370.371	1.406	20	30		FDEDRO
COC[C@]1(C(=O)NCC#CC[NH+](C)C)CCCN1C(=O)OC(C)(C)C	ZINC000913523536	862289043	/nfs/dbraw/zinc/28/90/43/862289043.db2.gz	DNYGBIQOZMVTRV-SFHVURJKSA-N	1	0	353.463	1.084	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)COCCc1ccc(Br)cc1	ZINC000913525108	862291479	/nfs/dbraw/zinc/29/14/79/862291479.db2.gz	KKMQHLFVDLPGIL-UHFFFAOYSA-N	1	0	353.260	1.689	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O	ZINC000913515335	862295202	/nfs/dbraw/zinc/29/52/02/862295202.db2.gz	SFGUOHHFGKTGPQ-UHFFFAOYSA-N	1	0	365.389	1.371	20	30		FDEDRO
C[C@](O)(C[NH2+]C[C@@H](n1cncn1)C(F)(F)F)C(F)(F)C(F)(F)F	ZINC000905399303	851905353	/nfs/dbraw/zinc/90/53/53/851905353.db2.gz	KAUNJQSNHAWUJQ-RQJHMYQMSA-N	1	0	356.217	1.920	20	30		FDEDRO
COCC1(C(=O)NCC#CC[NH+](C)C)CCN(C(=O)OC(C)(C)C)CC1	ZINC000913521476	862306760	/nfs/dbraw/zinc/30/67/60/862306760.db2.gz	AQDHAPNIHZLVEH-UHFFFAOYSA-N	1	0	367.490	1.331	20	30		FDEDRO
Cc1occc1C(=O)Nc1nc(CC(=O)NCC#CC[NH+](C)C)cs1	ZINC000913517205	862300560	/nfs/dbraw/zinc/30/05/60/862300560.db2.gz	XEZFPLPZFHDYAX-UHFFFAOYSA-N	1	0	360.439	1.521	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CC(=O)N1CCN(CC[NH+]2CCCC2)CC1	ZINC000905438391	851941909	/nfs/dbraw/zinc/94/19/09/851941909.db2.gz	GZGDOMCWBGNUDF-UHFFFAOYSA-N	1	0	354.498	1.958	20	30		FDEDRO
C#CCN1CCC[C@H]([NH2+]C[C@H](O)COc2ccc(CCC(C)=O)cc2)C1	ZINC000905461721	851962896	/nfs/dbraw/zinc/96/28/96/851962896.db2.gz	RQLOJUCWISJOHT-PMACEKPBSA-N	1	0	358.482	1.635	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Cc1csc(NC(=O)c2cccc(O)c2)n1	ZINC000913520442	862306212	/nfs/dbraw/zinc/30/62/12/862306212.db2.gz	PGYHCCQGEDOCMG-UHFFFAOYSA-N	1	0	372.450	1.325	20	30		FDEDRO
C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]C[C@H](O)COc3ccc(CC#N)cc3)O2)CO1	ZINC000905487182	851987852	/nfs/dbraw/zinc/98/78/52/851987852.db2.gz	SETHLSDLCJIEFG-DJABAAGCSA-N	1	0	360.454	1.809	20	30		FDEDRO
CN(C)S(=O)(=O)Cc1ccc(C[NH2+]C[C@@H](O)CC2(C#N)CC2)cc1	ZINC000905522583	852015280	/nfs/dbraw/zinc/01/52/80/852015280.db2.gz	XIIJSXFAFXQCLS-INIZCTEOSA-N	1	0	351.472	1.222	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCCN1CC(F)(F)F	ZINC000905567130	852041026	/nfs/dbraw/zinc/04/10/26/852041026.db2.gz	YOPBCZGJMBZPBW-HUUCEWRRSA-N	1	0	357.376	1.914	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]1C[NH2+]C[C@H](O)COc1ccccc1C#N	ZINC000905589740	852080096	/nfs/dbraw/zinc/08/00/96/852080096.db2.gz	ARRZVHZTHCSYPV-CVEARBPZSA-N	1	0	361.442	1.897	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]1C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1	ZINC000905591242	852082642	/nfs/dbraw/zinc/08/26/42/852082642.db2.gz	HUNOJTQFNGBJMB-CABCVRRESA-N	1	0	353.463	1.657	20	30		FDEDRO
N#Cc1cccc(Oc2ccnc(N3CC[C@@H](N4CC[NH2+]CC4)C3)n2)c1	ZINC000905636178	852105859	/nfs/dbraw/zinc/10/58/59/852105859.db2.gz	QBKNSVUEBIDADK-MRXNPFEDSA-N	1	0	350.426	1.624	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C	ZINC000905655854	852123295	/nfs/dbraw/zinc/12/32/95/852123295.db2.gz	SAMRAKRBHKQGRG-GJZGRUSLSA-N	1	0	354.495	1.428	20	30		FDEDRO
COC(=O)[C@H]1C[C@@H]2C[C@H]([NH2+]C[C@H](O)COc3ccc(CC#N)cc3)[C@@H]2C1	ZINC000905655687	852123406	/nfs/dbraw/zinc/12/34/06/852123406.db2.gz	YBUGNKTYXJJZMW-AKKLJKOSSA-N	1	0	358.438	1.670	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C	ZINC000905688822	852147679	/nfs/dbraw/zinc/14/76/79/852147679.db2.gz	ICEIXGQIUQTQSL-QXSJWSMHSA-N	1	0	352.479	1.323	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([NH2+][C@@H]3CCCN4CCSC[C@H]34)C2=O)cc1	ZINC000905852055	852353472	/nfs/dbraw/zinc/35/34/72/852353472.db2.gz	BXOLKQPFQJLTLF-FGTMMUONSA-N	1	0	356.495	1.833	20	30		FDEDRO
CC(C)(C)c1cc(C(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@@H]2O)[nH]n1	ZINC001083595443	852637149	/nfs/dbraw/zinc/63/71/49/852637149.db2.gz	ADABBCKLKFEKLR-SJORKVTESA-N	1	0	367.453	1.554	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCc2nccnc2C1)C(C)C	ZINC000668532092	852721887	/nfs/dbraw/zinc/72/18/87/852721887.db2.gz	TWXNTOHOPBNJSO-GOSISDBHSA-N	1	0	371.485	1.176	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CCC(C(C)(C)C[NH3+])CC1	ZINC000906689266	853168861	/nfs/dbraw/zinc/16/88/61/853168861.db2.gz	QPZNUFUJSFWPAV-UHFFFAOYSA-N	1	0	357.454	1.861	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N[C@]34CCC[C@H]3C[NH2+]C4)cc21	ZINC000906781602	853313313	/nfs/dbraw/zinc/31/33/13/853313313.db2.gz	HCNPFLGFECHUMP-LIRRHRJNSA-N	1	0	353.426	1.419	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccc1F)S(=O)(=O)c1ccc(C#N)cn1	ZINC000906851398	853407186	/nfs/dbraw/zinc/40/71/86/853407186.db2.gz	AQNUMXZNADLQCD-UHFFFAOYSA-N	1	0	362.430	1.845	20	30		FDEDRO
CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)cn2)CC1	ZINC000907017868	853699957	/nfs/dbraw/zinc/69/99/57/853699957.db2.gz	RBCSFDHCRZIUEB-UHFFFAOYSA-N	1	0	352.460	1.121	20	30		FDEDRO
COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)c2ccc(C#N)cn2)c1	ZINC000907152327	853891302	/nfs/dbraw/zinc/89/13/02/853891302.db2.gz	SEPVMRAIHQZWAB-UHFFFAOYSA-N	1	0	374.466	1.714	20	30		FDEDRO
Cc1cc(S(=O)(=O)NC2CC[NH+](C3CCOCC3)CC2)ccc1C#N	ZINC000907327572	854081986	/nfs/dbraw/zinc/08/19/86/854081986.db2.gz	GWHHWVIJDZJAEV-UHFFFAOYSA-N	1	0	363.483	1.788	20	30		FDEDRO
N#CCc1ccc(CS(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cc1	ZINC000908013516	854908730	/nfs/dbraw/zinc/90/87/30/854908730.db2.gz	TUUWNMNSRKEEQH-ROUUACIJSA-N	1	0	363.483	1.113	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N(C)[C@H](C)C1CCN(S(=O)(=O)CC)CC1	ZINC000908234755	855216967	/nfs/dbraw/zinc/21/69/67/855216967.db2.gz	VWFPLYXXAWJBHO-OAHLLOKOSA-N	1	0	359.536	1.403	20	30		FDEDRO
C#CCN(CC(=O)N1CCC(CO)([NH2+]C(C)C)CC1)C(=O)OC(C)(C)C	ZINC000908610854	855612584	/nfs/dbraw/zinc/61/25/84/855612584.db2.gz	UFFVPQKKZGRWNX-UHFFFAOYSA-N	1	0	367.490	1.208	20	30		FDEDRO
C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1	ZINC000908649738	855656060	/nfs/dbraw/zinc/65/60/60/855656060.db2.gz	PZUMVOVVAQQPLE-KRWDZBQOSA-N	1	0	356.470	1.973	20	30		FDEDRO
C=CCn1c([C@H]2CNC(=O)C2)nnc1N1CCN(c2cc[nH+]cc2)[C@@H](C)C1	ZINC000908692221	855681584	/nfs/dbraw/zinc/68/15/84/855681584.db2.gz	QQCNZPFPUQLKDL-LSDHHAIUSA-N	1	0	367.457	1.178	20	30		FDEDRO
C=CCCC[NH+]1CC(OC2CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)CC2)C1	ZINC001105708356	856315837	/nfs/dbraw/zinc/31/58/37/856315837.db2.gz	CSQHUQPOOIJCES-CRAIPNDOSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)O[C@](C)(C(F)F)C2)CC1	ZINC000668835959	857525245	/nfs/dbraw/zinc/52/52/45/857525245.db2.gz	NHZWTSWKCSMYKB-ACJLOTCBSA-N	1	0	373.444	1.414	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](CC)COCC2CC2)CC1	ZINC000668843600	857732424	/nfs/dbraw/zinc/73/24/24/857732424.db2.gz	VDQGZZAVZZSFTF-MRXNPFEDSA-N	1	0	351.491	1.465	20	30		FDEDRO
CC(C)[N@H+](CCO)CC1CCN(C(=O)c2cccc(C#CCO)c2)CC1	ZINC000910882259	857830945	/nfs/dbraw/zinc/83/09/45/857830945.db2.gz	KIHLTLBVSWNFAX-UHFFFAOYSA-N	1	0	358.482	1.585	20	30		FDEDRO
C#CCN(C(=O)C(=O)N(C)Cc1cc(C)cc(C)c1)C1CC[NH+](C)CC1	ZINC000910887694	857842937	/nfs/dbraw/zinc/84/29/37/857842937.db2.gz	SMPKIYDPSAXIIA-UHFFFAOYSA-N	1	0	355.482	1.818	20	30		FDEDRO
C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1	ZINC000669331346	862985364	/nfs/dbraw/zinc/98/53/64/862985364.db2.gz	FWBWYUIVAKXSHQ-INIZCTEOSA-N	1	0	370.505	1.962	20	30		FDEDRO
C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CC[NH+](C2CCCC2)CC1	ZINC000669333150	862992264	/nfs/dbraw/zinc/99/22/64/862992264.db2.gz	NASIURVJKNXVND-UHFFFAOYSA-N	1	0	356.478	1.714	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC(=O)N(C)[C@@H](C)C1	ZINC000669334329	862998232	/nfs/dbraw/zinc/99/82/32/862998232.db2.gz	CJNBLPRIJMBDNP-XHSDSOJGSA-N	1	0	374.489	1.057	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c1	ZINC000911403769	858592676	/nfs/dbraw/zinc/59/26/76/858592676.db2.gz	TUEYVTUUFSFFPO-WCQYABFASA-N	1	0	372.322	1.052	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2	ZINC000911442290	858625193	/nfs/dbraw/zinc/62/51/93/858625193.db2.gz	UURLHIWLEIQYEU-WIYYLYMNSA-N	1	0	368.481	1.945	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C[C@@H](C)N1CC#N	ZINC000911710323	858918037	/nfs/dbraw/zinc/91/80/37/858918037.db2.gz	ZQOSVWSSEAICFZ-QZTJIDSGSA-N	1	0	369.513	1.492	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@]1(C(=O)OC)CCC[N@H+](Cc2ccccc2)C1	ZINC000912037025	859251588	/nfs/dbraw/zinc/25/15/88/859251588.db2.gz	IYISXIFHPFVZQA-VQTJNVASSA-N	1	0	360.454	1.638	20	30		FDEDRO
O=C(C#Cc1ccc2c(c1)OCO2)NC1CC[NH+](C2CCOCC2)CC1	ZINC000912347446	859622671	/nfs/dbraw/zinc/62/26/71/859622671.db2.gz	SLUPNODTAXCAGQ-UHFFFAOYSA-N	1	0	356.422	1.526	20	30		FDEDRO
CC(C)(C)NC(NCCS(=O)(=O)N1CCSCC1)=[NH+]CC1CC1	ZINC000912507631	859832406	/nfs/dbraw/zinc/83/24/06/859832406.db2.gz	YLUYKHZISWBNPK-UHFFFAOYSA-N	1	0	362.565	1.109	20	30		FDEDRO
C[C@@H]1C[NH+](CCCNC(=O)NCCNc2ccc(C#N)cn2)C[C@@H](C)O1	ZINC000916249988	881500438	/nfs/dbraw/zinc/50/04/38/881500438.db2.gz	QUDGMZFWOLOLSP-HUUCEWRRSA-N	1	0	360.462	1.164	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnn(C(C)C)c2)C[C@H]1C	ZINC001106869444	881513217	/nfs/dbraw/zinc/51/32/17/881513217.db2.gz	FOSDWMYQEKIEDX-OWCLPIDISA-N	1	0	361.490	1.452	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)N2C[C@@H](C)N(CC#N)[C@H](C)C2)CC1	ZINC000916323066	881539588	/nfs/dbraw/zinc/53/95/88/881539588.db2.gz	GRAJDHNTTRPCJK-HZPDHXFCSA-N	1	0	351.495	1.115	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CC[C@H]([NH+]2CCC2)C1	ZINC000912902780	861034957	/nfs/dbraw/zinc/03/49/57/861034957.db2.gz	FXBQMXXJRFDULO-GJZGRUSLSA-N	1	0	350.463	1.880	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](CC)[NH+](C)C	ZINC001004809103	881631866	/nfs/dbraw/zinc/63/18/66/881631866.db2.gz	FUXGLDPPIYGCEN-ZRNYENFQSA-N	1	0	367.493	1.799	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C=C(C)C)C[C@H]1C	ZINC001105787742	863180707	/nfs/dbraw/zinc/18/07/07/863180707.db2.gz	XIUJPCAIWLFHAK-QLFBSQMISA-N	1	0	350.463	1.037	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CCSC)C[C@H]1C	ZINC001105800976	863247918	/nfs/dbraw/zinc/24/79/18/863247918.db2.gz	KISQRJYQYWVQBK-HUUCEWRRSA-N	1	0	354.520	1.186	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC=CCC2)C[C@H]1C	ZINC001105814304	863348514	/nfs/dbraw/zinc/34/85/14/863348514.db2.gz	FKBQNBYTYVTAJQ-FGTMMUONSA-N	1	0	360.502	1.789	20	30		FDEDRO
CC(C)Cc1nc(CNC[C@@H]2CN(C(=O)CSCC#N)C[C@H]2C)no1	ZINC001105850309	863487989	/nfs/dbraw/zinc/48/79/89/863487989.db2.gz	MBHZHQCBGGGRFP-ZIAGYGMSSA-N	1	0	365.503	1.709	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCCO2)C[C@H]1C	ZINC001105859343	863521119	/nfs/dbraw/zinc/52/11/19/863521119.db2.gz	XRAWLVFUBASKGC-BRWVUGGUSA-N	1	0	364.490	1.002	20	30		FDEDRO
CCn1cc(CC[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CSCC#N)C2)cn1	ZINC001111600506	863648518	/nfs/dbraw/zinc/64/85/18/863648518.db2.gz	WHCQBVAHYKDROC-WMZOPIPTSA-N	1	0	361.515	1.673	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C(C)C)C2)C[C@H]1C(F)(F)F	ZINC001112110335	863725746	/nfs/dbraw/zinc/72/57/46/863725746.db2.gz	KFUPROIPUHUWJK-MGPQQGTHSA-N	1	0	361.408	1.798	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCNC(=O)COC)C[C@H]1C(F)(F)F	ZINC001112110604	863738103	/nfs/dbraw/zinc/73/81/03/863738103.db2.gz	XPFVKURYWJNZDU-CHWSQXEVSA-N	1	0	365.396	1.084	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000761021026	863780952	/nfs/dbraw/zinc/78/09/52/863780952.db2.gz	ZKUWOHQLJZRIFJ-HIFRSBDPSA-N	1	0	360.389	1.410	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCC2)[C@H](C)C1	ZINC001105910867	863926892	/nfs/dbraw/zinc/92/68/92/863926892.db2.gz	ZMJJNULJYLPXDG-BRWVUGGUSA-N	1	0	351.491	1.274	20	30		FDEDRO
C[NH+]1CCN(C[C@H](NC(=O)N2CCC[C@@H](C#N)C2)c2ccccc2)CC1	ZINC000916522718	881711794	/nfs/dbraw/zinc/71/17/94/881711794.db2.gz	VUTZRYOQASDYIR-HKUYNNGSSA-N	1	0	355.486	1.920	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)nn2)[C@H](C)C1	ZINC001105914745	863962727	/nfs/dbraw/zinc/96/27/27/863962727.db2.gz	DKZYDCFTOIRQTA-BZUAXINKSA-N	1	0	362.474	1.651	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)CCC)C[C@H]1C	ZINC001105918318	863995712	/nfs/dbraw/zinc/99/57/12/863995712.db2.gz	CXPCVTGTABJKIA-ARFHVFGLSA-N	1	0	366.506	1.509	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NCCCC)[C@H](C)C1	ZINC001105924889	864042029	/nfs/dbraw/zinc/04/20/29/864042029.db2.gz	YZLSKPZPFSLHFH-HUUCEWRRSA-N	1	0	352.479	1.263	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCOCC)C[C@H]1C	ZINC001105931981	864077800	/nfs/dbraw/zinc/07/78/00/864077800.db2.gz	WKTZMLJXRITESC-FGTMMUONSA-N	1	0	367.534	1.910	20	30		FDEDRO
N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C[N@@H+]2CC[C@H]3C[C@H]32)CC1	ZINC000761095907	864083465	/nfs/dbraw/zinc/08/34/65/864083465.db2.gz	PPMDMUSENCHPCJ-DZGCQCFKSA-N	1	0	367.409	1.549	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)Nc2nccs2)[C@H](C)C1	ZINC001105943158	864165390	/nfs/dbraw/zinc/16/53/90/864165390.db2.gz	XUQHURNKYMQBMY-HZSPNIEDSA-N	1	0	366.487	1.357	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCc2ccccc2)[C@H](C)C1	ZINC001105946017	864187580	/nfs/dbraw/zinc/18/75/80/864187580.db2.gz	JAKMSAZUOQNGIP-JFIYKMOQSA-N	1	0	356.470	1.189	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H](n2ccnc2)C1	ZINC000761158663	864249445	/nfs/dbraw/zinc/24/94/45/864249445.db2.gz	YKLMDCOWISJSLY-AWEZNQCLSA-N	1	0	371.372	1.727	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C1	ZINC001105982427	864334625	/nfs/dbraw/zinc/33/46/25/864334625.db2.gz	PYXICUYPKQYVGA-HZPDHXFCSA-N	1	0	360.520	1.088	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NCC(C)C)[C@H](C)C1	ZINC001105984442	864342241	/nfs/dbraw/zinc/34/22/41/864342241.db2.gz	KCGPTLBGXNATDZ-FGTMMUONSA-N	1	0	367.534	1.814	20	30		FDEDRO
CCn1cc(CC[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)cn1	ZINC001105985642	864347343	/nfs/dbraw/zinc/34/73/43/864347343.db2.gz	PDBGZHJPCTUZGI-RHSMWYFYSA-N	1	0	354.458	1.643	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1oc(C)nc1C)C2	ZINC001112291769	864376744	/nfs/dbraw/zinc/37/67/44/864376744.db2.gz	YDSIPFFZMMSOTE-KXBFYZLASA-N	1	0	360.458	1.426	20	30		FDEDRO
CCC[C@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC001105989319	864383087	/nfs/dbraw/zinc/38/30/87/864383087.db2.gz	XMBGWWMQCITZKC-IJEWVQPXSA-N	1	0	359.474	1.489	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1CN([C@H](C)C(=O)N2CCC(C)CC2)C[C@H]1OC	ZINC001212185576	864627963	/nfs/dbraw/zinc/62/79/63/864627963.db2.gz	YBUDDDJOMJIUOH-KZNAEPCWSA-N	1	0	363.502	1.252	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2cccnc2)[C@H](C)C1	ZINC001106026090	864810033	/nfs/dbraw/zinc/81/00/33/864810033.db2.gz	VNOXLCCWYZNTJK-IEBWSBKVSA-N	1	0	370.497	1.576	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)CCN1CC#Cc1ccccc1	ZINC001088861181	864823641	/nfs/dbraw/zinc/82/36/41/864823641.db2.gz	UBIYEUPIJOCVCL-LULLPPNCSA-N	1	0	353.466	1.341	20	30		FDEDRO
Cc1ccn(CC(=O)N[C@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)[C@@H]2C)n1	ZINC001088865852	864931044	/nfs/dbraw/zinc/93/10/44/864931044.db2.gz	LQRYNCODJLPYBC-APWZRJJASA-N	1	0	367.453	1.873	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nc(CC(C)C)no2)[C@H](C)C1	ZINC001106058835	865066237	/nfs/dbraw/zinc/06/62/37/865066237.db2.gz	JYRRYXFBNHRCEN-CLCXKQKWSA-N	1	0	364.490	1.779	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(OCC)n2)[C@H](C)C1	ZINC001106059668	865074015	/nfs/dbraw/zinc/07/40/15/865074015.db2.gz	ZSKJBBWDWCMMAP-QINHECLXSA-N	1	0	361.486	1.992	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CCNC(=O)NC(C)(C)C)[C@H](C)C1	ZINC001106065063	865105047	/nfs/dbraw/zinc/10/50/47/865105047.db2.gz	OGGMOMPAMXIHCX-CLCXKQKWSA-N	1	0	368.522	1.095	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+][C@H](C(N)=O)c2ccc(F)cc2)[C@H](C)C1	ZINC001106064785	865108899	/nfs/dbraw/zinc/10/88/99/865108899.db2.gz	IDMJGCWXILWJRG-OGWOLHLISA-N	1	0	359.445	1.840	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC(F)(F)F)[C@H](C)C1	ZINC001106065981	865120361	/nfs/dbraw/zinc/12/03/61/865120361.db2.gz	QHUXKCLORGQZMW-ZIAGYGMSSA-N	1	0	361.408	1.495	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CCc3csc(C)n3)[C@@H]2C)nn1	ZINC001088907262	865372704	/nfs/dbraw/zinc/37/27/04/865372704.db2.gz	IGEUFFLGIBTQBZ-DOMZBBRYSA-N	1	0	360.487	1.664	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCc2ccnn2C)[C@@H]1C	ZINC001088910810	865396229	/nfs/dbraw/zinc/39/62/29/865396229.db2.gz	IQKICQVITWEHPG-BVBHFADKSA-N	1	0	360.502	1.913	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(C(N)=O)c2)[C@@H]1C	ZINC001088914094	865411288	/nfs/dbraw/zinc/41/12/88/865411288.db2.gz	IVRIGHVKVUMSIK-FCLVOEFKSA-N	1	0	371.481	1.846	20	30		FDEDRO
CC[NH+]=C(NCCN1CCOC(C)(C)C1)N1CCN(c2ccccn2)CC1	ZINC000172259394	865545000	/nfs/dbraw/zinc/54/50/00/865545000.db2.gz	NJXZBEVSMFOLMW-UHFFFAOYSA-N	1	0	374.533	1.280	20	30		FDEDRO
C=CCN1CC[C@H](N2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)[C@H]2C)C1=O	ZINC001088939281	865582601	/nfs/dbraw/zinc/58/26/01/865582601.db2.gz	HPVNXXIWQBKLKO-SQNIBIBYSA-N	1	0	362.518	1.084	20	30		FDEDRO
Cc1nonc1CC(=O)N[C@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)[C@@H]1C	ZINC001088950523	865661091	/nfs/dbraw/zinc/66/10/91/865661091.db2.gz	UZTSHEIICKEWFR-PBHICJAKSA-N	1	0	369.425	1.602	20	30		FDEDRO
Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1	ZINC000172936208	865846719	/nfs/dbraw/zinc/84/67/19/865846719.db2.gz	VFPLMVQLXHTUCJ-SFHVURJKSA-N	1	0	366.469	1.737	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCc3cnn(CC)c3)[C@@H]2C)cn1	ZINC001088991020	865956364	/nfs/dbraw/zinc/95/63/64/865956364.db2.gz	DDUJUCFLPVKYQY-BEFAXECRSA-N	1	0	351.454	1.715	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCCc3nc(C)no3)[C@@H]2C)cn1	ZINC001088991132	865956512	/nfs/dbraw/zinc/95/65/12/865956512.db2.gz	JYMBBRGAXXKRHU-DYVFJYSZSA-N	1	0	353.426	1.580	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C[C@@H]3CCc4ncnn43)[C@@H]2C)cn1	ZINC001088991136	865956719	/nfs/dbraw/zinc/95/67/19/865956719.db2.gz	KCUGRYUCNGHXQC-COXVUDFISA-N	1	0	350.426	1.035	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3ccccc3F)C[C@H]2C)CC1	ZINC000947222547	865965164	/nfs/dbraw/zinc/96/51/64/865965164.db2.gz	GSWWKEHOEGIWPS-DNVCBOLYSA-N	1	0	371.456	1.748	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](CCn2nc(C)nc2C)[C@@H]1C	ZINC001089006630	865995970	/nfs/dbraw/zinc/99/59/70/865995970.db2.gz	PHYQZIGKPSGQLH-QRWLVFNGSA-N	1	0	365.481	1.698	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cncc(C(N)=O)c2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001089045922	866278174	/nfs/dbraw/zinc/27/81/74/866278174.db2.gz	MUNFOIODIBKKJI-ACJLOTCBSA-N	1	0	363.421	1.445	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C1	ZINC000992026988	867226535	/nfs/dbraw/zinc/22/65/35/867226535.db2.gz	KROAHTZXPRSKPJ-OALUTQOASA-N	1	0	371.481	1.670	20	30		FDEDRO
C=CCn1c(COC)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1	ZINC000669810247	867628922	/nfs/dbraw/zinc/62/89/22/867628922.db2.gz	DORZXCQKTKNBJB-IAGOWNOFSA-N	1	0	362.522	1.605	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H]2COc3cc(OC)ccc32)c1C#N	ZINC000535511953	867724903	/nfs/dbraw/zinc/72/49/03/867724903.db2.gz	QNLWAFPKENHIPG-LBPRGKRZSA-N	1	0	369.425	1.947	20	30		FDEDRO
Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCCn1cnc(C#N)n1)[NH+](C)C	ZINC000508846854	867759258	/nfs/dbraw/zinc/75/92/58/867759258.db2.gz	AJXBVUYTBHCHMZ-PBHICJAKSA-N	1	0	355.446	1.449	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccncc2C)C[C@H]1C	ZINC001106091848	867951339	/nfs/dbraw/zinc/95/13/39/867951339.db2.gz	JDJWHXVSKPAMQW-QZTJIDSGSA-N	1	0	370.497	1.888	20	30		FDEDRO
COc1cc(CNC(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)ccc1C#N	ZINC000462469665	867997974	/nfs/dbraw/zinc/99/79/74/867997974.db2.gz	CFOXBCNFMSRJQC-OAHLLOKOSA-N	1	0	374.485	1.801	20	30		FDEDRO
C#Cc1ccc(C(=O)NC2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000992154659	868048622	/nfs/dbraw/zinc/04/86/22/868048622.db2.gz	BNIBVHZSNOTNJV-WLHONDITSA-N	1	0	353.466	1.633	20	30		FDEDRO
C#Cc1cncc(C(=O)NC2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC000992156970	868067372	/nfs/dbraw/zinc/06/73/72/868067372.db2.gz	NQCKATFMUCKJMM-WGDNJCCTSA-N	1	0	354.454	1.028	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]CC(=O)NCc1ccccc1	ZINC001106101251	868101606	/nfs/dbraw/zinc/10/16/06/868101606.db2.gz	PJJQAOKQBIXKID-VQIMIIECSA-N	1	0	353.466	1.400	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCOC(C)C)[C@H](C)C1	ZINC001106104948	868134149	/nfs/dbraw/zinc/13/41/49/868134149.db2.gz	JEBQTVIAFZRNID-QZTJIDSGSA-N	1	0	365.518	1.261	20	30		FDEDRO
CC(C)C[C@H](C)N(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C	ZINC001106106447	868186457	/nfs/dbraw/zinc/18/64/57/868186457.db2.gz	XRLSHHIAFNXBIO-ZIFCJYIRSA-N	1	0	361.530	1.977	20	30		FDEDRO
C=C(C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001061623332	882164991	/nfs/dbraw/zinc/16/49/91/882164991.db2.gz	XFJVDNHBXZMBIB-IXDOHACOSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(Cc3cnsn3)C[C@H]2CC1	ZINC000946787022	882174095	/nfs/dbraw/zinc/17/40/95/882174095.db2.gz	WEZHCRQUTSNHRE-WTTBNOFXSA-N	1	0	362.499	1.800	20	30		FDEDRO
CCS(=O)(=O)CCC[NH2+]C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C	ZINC001106112803	868414520	/nfs/dbraw/zinc/41/45/20/868414520.db2.gz	QIPYZBVESYEQCC-HZPDHXFCSA-N	1	0	356.532	1.545	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2csc(COC)n2)[C@H](C)C1	ZINC001106114704	868505872	/nfs/dbraw/zinc/50/58/72/868505872.db2.gz	GNKMVLUNMSFKAA-HUUCEWRRSA-N	1	0	365.499	1.514	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2nc(C3CCC3)no2)[C@H](C)C1	ZINC001106116506	868578003	/nfs/dbraw/zinc/57/80/03/868578003.db2.gz	GJFPWWWMAQYSQK-GDBMZVCRSA-N	1	0	360.458	1.561	20	30		FDEDRO
C=CCCOCCCCC(=O)N1C[C@@H](C[NH2+][C@@H](CC)C(N)=O)[C@H](C)C1	ZINC001106124211	868908642	/nfs/dbraw/zinc/90/86/42/868908642.db2.gz	ITOUJGAGKLJTND-ZACQAIPSSA-N	1	0	353.507	1.697	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)Nc2cnccn2)C1	ZINC001112333104	869085518	/nfs/dbraw/zinc/08/55/18/869085518.db2.gz	XEAWELMZAJSGRQ-JXFKEZNVSA-N	1	0	369.469	1.437	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCC[NH+]1CCCC1	ZINC000465219469	869172081	/nfs/dbraw/zinc/17/20/81/869172081.db2.gz	XVVGTAKNLOCTAP-OAHLLOKOSA-N	1	0	357.462	1.054	20	30		FDEDRO
C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(CC)CC2)cc1	ZINC000465333771	869205764	/nfs/dbraw/zinc/20/57/64/869205764.db2.gz	FZUWFGWNEQHWTF-OAHLLOKOSA-N	1	0	372.469	1.022	20	30		FDEDRO
COc1ccccc1N1CCN(C(NCC(=O)N(C)C)=[NH+]C(C)C)CC1	ZINC000174726096	869208271	/nfs/dbraw/zinc/20/82/71/869208271.db2.gz	NQUKMUFYMDWSME-UHFFFAOYSA-N	1	0	361.490	1.259	20	30		FDEDRO
C=CCc1cc(C(=O)N2CCC(O)(C[NH+](C)C)CC2)cc(OC)c1OC	ZINC000913681943	869406010	/nfs/dbraw/zinc/40/60/10/869406010.db2.gz	IYSOGNSHXPQZHL-UHFFFAOYSA-N	1	0	362.470	1.961	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccccc2Cl)C[C@@H]1O	ZINC001083853342	882303015	/nfs/dbraw/zinc/30/30/15/882303015.db2.gz	OVKAUSZLTPLCNU-RANZSIQMSA-N	1	0	364.873	1.983	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)C[NH+](CC)CC)C1	ZINC001060420931	869517566	/nfs/dbraw/zinc/51/75/66/869517566.db2.gz	YGFQFSGLAXUEDB-BBWFWOEESA-N	1	0	351.491	1.274	20	30		FDEDRO
C[N@H+]1CC=C(CNC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1	ZINC000271906479	869536660	/nfs/dbraw/zinc/53/66/60/869536660.db2.gz	PNPCXJQWNHIOHT-UHFFFAOYSA-N	1	0	364.352	1.476	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1	ZINC000913794562	869654521	/nfs/dbraw/zinc/65/45/21/869654521.db2.gz	CJIAKQKDAZLFAE-IKGGRYGDSA-N	1	0	351.491	1.153	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1	ZINC000913794561	869654622	/nfs/dbraw/zinc/65/46/22/869654622.db2.gz	CJIAKQKDAZLFAE-BRWVUGGUSA-N	1	0	351.491	1.153	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccccc2Cn2ccnc2)CC1	ZINC000913971248	870179565	/nfs/dbraw/zinc/17/95/65/870179565.db2.gz	ALNXHXPOUPRIGS-UHFFFAOYSA-N	1	0	351.454	1.828	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)c4ccc[nH]4)C[C@]3(C)C2)CC1	ZINC000992578879	870410096	/nfs/dbraw/zinc/41/00/96/870410096.db2.gz	BLXMKNCARWHMQH-UTKZUKDTSA-N	1	0	368.481	1.280	20	30		FDEDRO
CCN1CC[NH+](CCCCNC(=O)N2C[C@H](C)N(CC#N)[C@@H](C)C2)CC1	ZINC000914100574	870754893	/nfs/dbraw/zinc/75/48/93/870754893.db2.gz	HHXFOCDQXOCUPX-ROUUACIJSA-N	1	0	364.538	1.032	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)Cc3csc(C#N)c3)CC2)C1	ZINC000914117514	870877803	/nfs/dbraw/zinc/87/78/03/870877803.db2.gz	UIDHXSPLFOLRDI-HNNXBMFYSA-N	1	0	368.528	1.161	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1)C(C)C	ZINC000914127222	870947930	/nfs/dbraw/zinc/94/79/30/870947930.db2.gz	AJUAVKMLNOOIEK-BDXSIMOUSA-N	1	0	351.491	1.788	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1C[C@H](O)C12CCOCC2)C(C)C	ZINC000914127504	870948193	/nfs/dbraw/zinc/94/81/93/870948193.db2.gz	JYSIZWGCMFDVJZ-SQNIBIBYSA-N	1	0	365.518	1.914	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2oc(CC3CC3)nc2C)C[C@H]1C	ZINC001106139676	870952905	/nfs/dbraw/zinc/95/29/05/870952905.db2.gz	AMHPALJIQGNGBI-RHSMWYFYSA-N	1	0	359.470	1.883	20	30		FDEDRO
C=CCN1CC[C@@H](N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)C1=O	ZINC000282103212	871106241	/nfs/dbraw/zinc/10/62/41/871106241.db2.gz	WFYMCRRBJCFKEY-HXUWFJFHSA-N	1	0	356.514	1.523	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@]3(C)C2)cn1	ZINC000992689295	871350218	/nfs/dbraw/zinc/35/02/18/871350218.db2.gz	OXOCAJHDYQTJHX-BLIXFSHQSA-N	1	0	366.465	1.078	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2cc[n+]([O-])cc2)[C@@H](n2ccnn2)C1	ZINC001128652136	882506608	/nfs/dbraw/zinc/50/66/08/882506608.db2.gz	FXIPHWCVCBGAMC-MSOLQXFVSA-N	1	0	370.457	1.313	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc(F)c2C)C[C@H]1C	ZINC001106156638	871462095	/nfs/dbraw/zinc/46/20/95/871462095.db2.gz	HUEMZYNWSZCQEX-VNQPRFMTSA-N	1	0	359.445	1.570	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(C(N)=O)c2)C1	ZINC001033431225	882512076	/nfs/dbraw/zinc/51/20/76/882512076.db2.gz	BWDOSDGMLKEGCQ-KSZLIROESA-N	1	0	357.454	1.409	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCN(C)C(=O)C2)[C@H](OC)C1	ZINC001212472473	871501089	/nfs/dbraw/zinc/50/10/89/871501089.db2.gz	UPKXRYYZDWLGPW-GVDBMIGSSA-N	1	0	351.491	1.417	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)C4CC=CC4)C[C@]3(C)C2)CC1	ZINC000992723899	871550170	/nfs/dbraw/zinc/55/01/70/871550170.db2.gz	BKLJOGHNYNXFSN-SIKLNZKXSA-N	1	0	369.509	1.605	20	30		FDEDRO
CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)Cc1c(C)cc(C#N)cc1C	ZINC000914235341	871943383	/nfs/dbraw/zinc/94/33/83/871943383.db2.gz	SGSCKFBOPAKHGK-QGZVFWFLSA-N	1	0	367.515	1.951	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1	ZINC001168701605	872005141	/nfs/dbraw/zinc/00/51/41/872005141.db2.gz	QZIXAFOXRUUBQY-VQTJNVASSA-N	1	0	363.461	1.789	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccc(CS(C)(=O)=O)cc2)CC1	ZINC000914279940	872139459	/nfs/dbraw/zinc/13/94/59/872139459.db2.gz	UUPKLCNZUFECRW-UHFFFAOYSA-N	1	0	363.483	1.128	20	30		FDEDRO
C#CCC1(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CCOCC1	ZINC000925432085	882587026	/nfs/dbraw/zinc/58/70/26/882587026.db2.gz	SLFNZBQRIRXNIE-UHFFFAOYSA-N	1	0	356.470	1.282	20	30		FDEDRO
C[NH+](C)[C@H](C(=O)N1C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@]2(C)C1)C1CC1	ZINC000992809831	872438226	/nfs/dbraw/zinc/43/82/26/872438226.db2.gz	RHPYQPQBHGELCW-GZRFBZBPSA-N	1	0	369.469	1.147	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H](CC(=O)N(C)C)c2ccccc2)CC1	ZINC000914365506	872531115	/nfs/dbraw/zinc/53/11/15/872531115.db2.gz	VJMWUWRCZNCVDS-SFHVURJKSA-N	1	0	356.470	1.603	20	30		FDEDRO
C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)[C@]34CCC[C@H]3OCC4)CC2)C1=O	ZINC001003297491	873023111	/nfs/dbraw/zinc/02/31/11/873023111.db2.gz	USOBUUHDWHXINC-HLIPFELVSA-N	1	0	361.486	1.313	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCOCC2)[C@H](C)C1	ZINC001106183671	873076251	/nfs/dbraw/zinc/07/62/51/873076251.db2.gz	JAKXZAIXMCUKER-HZPDHXFCSA-N	1	0	351.491	1.132	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C[NH2+]C[C@H](O)COCCOC)[C@H](C)C1	ZINC001106183631	873076555	/nfs/dbraw/zinc/07/65/55/873076555.db2.gz	GROSXJWZBLEHEX-ZACQAIPSSA-N	1	0	356.507	1.297	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)CN2CCCCC2=O)[C@H](OC)C1	ZINC001212510062	873097424	/nfs/dbraw/zinc/09/74/24/873097424.db2.gz	SQGKTVJGEMPUKA-IAGOWNOFSA-N	1	0	353.507	1.785	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC=CCC2)CC1	ZINC001003362971	873215249	/nfs/dbraw/zinc/21/52/49/873215249.db2.gz	JJGCDYHPVYVNSV-WTGUMLROSA-N	1	0	369.509	1.936	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC(C)C2)CC1	ZINC001003363114	873217500	/nfs/dbraw/zinc/21/75/00/873217500.db2.gz	LLXUVRZFRBXPOM-XXXOSLHZSA-N	1	0	357.498	1.626	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1	ZINC001003393571	873273103	/nfs/dbraw/zinc/27/31/03/873273103.db2.gz	MVIBYIPMBYBVHX-ROUUACIJSA-N	1	0	368.437	1.504	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCC)[C@H](C)C1)OCC	ZINC001106197099	873426990	/nfs/dbraw/zinc/42/69/90/873426990.db2.gz	GHWDIEQQKOXUPI-KURKYZTESA-N	1	0	367.534	1.958	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@]3(C)C2)CC[N@@H+]1C	ZINC000992991141	873542105	/nfs/dbraw/zinc/54/21/05/873542105.db2.gz	OINJYVJZLXSKPJ-FKEXNYPISA-N	1	0	369.469	1.147	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@@H]2O)C1	ZINC001083719832	873552877	/nfs/dbraw/zinc/55/28/77/873552877.db2.gz	YOELXNUDNJSMCP-AQNXPRMDSA-N	1	0	370.497	1.342	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)CC4(C)CC4)C[C@@]3(C)C2)CC1	ZINC000993020270	873711321	/nfs/dbraw/zinc/71/13/21/873711321.db2.gz	NHRYZAJZTFFDDU-GCJKJVERSA-N	1	0	371.525	1.829	20	30		FDEDRO
C[NH+](C)[C@@H](C(=O)N1C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@]2(C)C1)C1CC1	ZINC000993026430	873751476	/nfs/dbraw/zinc/75/14/76/873751476.db2.gz	RHPYQPQBHGELCW-ZTQAJYAQSA-N	1	0	369.469	1.147	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C)C1	ZINC000993027966	873757185	/nfs/dbraw/zinc/75/71/85/873757185.db2.gz	YZOFYJKZKGGPKD-KNKQGSTJSA-N	1	0	371.525	1.970	20	30		FDEDRO
C[NH+](C)C1(C(=O)N2C[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@]3(C)C2)CCC1	ZINC000993031140	873766104	/nfs/dbraw/zinc/76/61/04/873766104.db2.gz	HWHBROBVQAXVIZ-BEFAXECRSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1	ZINC001003616041	873847761	/nfs/dbraw/zinc/84/77/61/873847761.db2.gz	XHJPZXQEYZLFMI-ZWKOTPCHSA-N	1	0	363.502	1.703	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C2(COC)CCOCC2)C[C@H]1C	ZINC001106216317	873899401	/nfs/dbraw/zinc/89/94/01/873899401.db2.gz	KYCOLHAYPJSGCB-IAGOWNOFSA-N	1	0	354.491	1.316	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)Cn2cccn2)[C@@H](n2ccnn2)C1	ZINC001128694688	882778758	/nfs/dbraw/zinc/77/87/58/882778758.db2.gz	JVQGTIPUFVLKPG-SJORKVTESA-N	1	0	359.478	1.487	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3cnn(C)c3)[C@H](C)C2)CCOCC1	ZINC001106232797	874037878	/nfs/dbraw/zinc/03/78/78/874037878.db2.gz	LDPHYIMKNLDFPA-SJLPKXTDSA-N	1	0	358.486	1.424	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]C[C@H](CC)OC)[C@H](C)C2)CCOCC1	ZINC001106235394	874048403	/nfs/dbraw/zinc/04/84/03/874048403.db2.gz	QJWJTPVMABKXMJ-KURKYZTESA-N	1	0	350.503	1.916	20	30		FDEDRO
N#Cc1ccc(Br)c(C[NH2+]C[C@@]2(OCCO)CCOC2)c1	ZINC000922240401	874052948	/nfs/dbraw/zinc/05/29/48/874052948.db2.gz	OSNYVVIDXJQYFK-HNNXBMFYSA-N	1	0	355.232	1.578	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3c(C)nnn3CC)[C@H](C)C2)CCC1	ZINC001106236270	874061557	/nfs/dbraw/zinc/06/15/57/874061557.db2.gz	IMAKWNVRXXMZIK-NVXWUHKLSA-N	1	0	357.502	1.984	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C(C)C)nc2)C[C@H]1C	ZINC001106250258	874132782	/nfs/dbraw/zinc/13/27/82/874132782.db2.gz	ZXTXBVPMDHSQKQ-JFIYKMOQSA-N	1	0	370.497	1.641	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C(C)C)nc2)C[C@H]1C	ZINC001106250259	874132987	/nfs/dbraw/zinc/13/29/87/874132987.db2.gz	ZXTXBVPMDHSQKQ-SOLBZPMBSA-N	1	0	370.497	1.641	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(F)c(F)c2)C[C@H]1C	ZINC001106252091	874143280	/nfs/dbraw/zinc/14/32/80/874143280.db2.gz	FPBZQGDJLZBSIM-UMVBOHGHSA-N	1	0	363.408	1.400	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C[C@H]1C	ZINC001106269997	874298560	/nfs/dbraw/zinc/29/85/60/874298560.db2.gz	MQRQKPVVECIVFK-BRSBDYLESA-N	1	0	358.486	1.595	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnn3ccc(C)cc23)C[C@H]1C	ZINC001106277145	874344000	/nfs/dbraw/zinc/34/40/00/874344000.db2.gz	ICENPCIBRBMKDW-IAGOWNOFSA-N	1	0	354.454	1.590	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@]2(C)C1	ZINC000993097395	874374462	/nfs/dbraw/zinc/37/44/62/874374462.db2.gz	LDNDICWYZBYXPP-LIVBEALHSA-N	1	0	369.469	1.291	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)nc1	ZINC000487826590	874377363	/nfs/dbraw/zinc/37/73/63/874377363.db2.gz	VBWMDIZYOJUUPP-BRWVUGGUSA-N	1	0	355.442	1.743	20	30		FDEDRO
CC(C)[C@H](CNC(=O)Cn1cnc(C#N)n1)[N@@H+]1CCc2ccccc2C1	ZINC000495093228	874501982	/nfs/dbraw/zinc/50/19/82/874501982.db2.gz	OACVPSBGQUPCTO-KRWDZBQOSA-N	1	0	352.442	1.349	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnn(C)c2Cl)C[C@H]1C	ZINC001106324499	874782201	/nfs/dbraw/zinc/78/22/01/874782201.db2.gz	SLMMWBSBZRRHDO-FRRDWIJNSA-N	1	0	367.881	1.062	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001106327743	874791766	/nfs/dbraw/zinc/79/17/66/874791766.db2.gz	SYDFOQYYJZIYMB-RHSMWYFYSA-N	1	0	363.483	1.177	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(cc[nH]c3=O)n2)C[C@H]1C	ZINC001106344322	874856589	/nfs/dbraw/zinc/85/65/89/874856589.db2.gz	RQDFCCBQMRXGGM-HUUCEWRRSA-N	1	0	370.453	1.836	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccn3nccc23)C[C@H]1C	ZINC001106373664	874980055	/nfs/dbraw/zinc/98/00/55/874980055.db2.gz	OORYFSJNJCJHKY-OWCLPIDISA-N	1	0	369.469	1.323	20	30		FDEDRO
CC(C)(C#N)CS(=O)(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000914978805	875097775	/nfs/dbraw/zinc/09/77/75/875097775.db2.gz	XIABDWMPEZJFRZ-KRWDZBQOSA-N	1	0	365.499	1.747	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)c3cc(C)co3)[C@H](C)C2)CC1	ZINC000994467292	882896624	/nfs/dbraw/zinc/89/66/24/882896624.db2.gz	FRLLZVKXYNQOBM-SJLPKXTDSA-N	1	0	371.481	1.758	20	30		FDEDRO
CC[C@@H](C(=O)N1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@]2(C)C1)[NH+](C)C	ZINC000993164254	875229067	/nfs/dbraw/zinc/22/90/67/875229067.db2.gz	IOZOCJSWXSBAII-ALKREAHSSA-N	1	0	357.458	1.147	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cnc3cnccc3c2)C[C@H]1C	ZINC001106433434	875296531	/nfs/dbraw/zinc/29/65/31/875296531.db2.gz	JHDZUYMYLTZSAL-RHSMWYFYSA-N	1	0	367.453	1.230	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CCC(F)F)C[C@H]1C	ZINC001106439966	875305016	/nfs/dbraw/zinc/30/50/16/875305016.db2.gz	JTLRGNSPTWKFOV-HUUCEWRRSA-N	1	0	357.445	1.916	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2C[C@]2(C)c2ccccc2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106453793	875389715	/nfs/dbraw/zinc/38/97/15/875389715.db2.gz	XKSTZCDTMVTJMM-KALAIVBUSA-N	1	0	368.481	1.288	20	30		FDEDRO
CCOc1cccc(CC(=O)N2C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C2)n1	ZINC001106455374	875400482	/nfs/dbraw/zinc/40/04/82/875400482.db2.gz	PVGQGTKFZDBFCC-IAGOWNOFSA-N	1	0	359.470	1.357	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(C3CC3)CCOCC2)C[C@H]1C	ZINC001106476556	875579460	/nfs/dbraw/zinc/57/94/60/875579460.db2.gz	LTOSOMZJKWPNHQ-HZPDHXFCSA-N	1	0	363.502	1.180	20	30		FDEDRO
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](C)CN1CC[NH+](C)CC1	ZINC000495455399	875581886	/nfs/dbraw/zinc/58/18/86/875581886.db2.gz	OJBPLWSDJGMHNW-MRXNPFEDSA-N	1	0	364.490	1.496	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c(C)nn(C)c2C)C[C@H]1C	ZINC001106496966	875698465	/nfs/dbraw/zinc/69/84/65/875698465.db2.gz	HJSDLZGYXVAAQC-XNRPHZJLSA-N	1	0	361.490	1.025	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC(=O)Nc3ccccc32)C[C@H]1C	ZINC001106500236	875719484	/nfs/dbraw/zinc/71/94/84/875719484.db2.gz	UQCWDRPSHBSEGA-NUJGCVRESA-N	1	0	371.481	1.999	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O	ZINC000762348361	875781707	/nfs/dbraw/zinc/78/17/07/875781707.db2.gz	QEJBNCYECCRUCC-AWEZNQCLSA-N	1	0	364.243	1.284	20	30		FDEDRO
COc1ccc(OC)c([C@H](O)C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c1	ZINC000915223502	875783491	/nfs/dbraw/zinc/78/34/91/875783491.db2.gz	NSHGXJMHNVEVNM-DNVCBOLYSA-N	1	0	372.421	1.638	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N(CC)C3CC3)[C@H](C)C2)cc1	ZINC001106512824	875801205	/nfs/dbraw/zinc/80/12/05/875801205.db2.gz	TVBNIPQAGQJKNJ-VQIMIIECSA-N	1	0	367.493	1.977	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2C)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106514266	875819124	/nfs/dbraw/zinc/81/91/24/875819124.db2.gz	KYTSNBDUDPEIGA-RLLQIKCJSA-N	1	0	367.493	1.733	20	30		FDEDRO
C[C@@H]1C[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#Cc2ccccc2)[C@H](C)C1	ZINC001106532269	875865557	/nfs/dbraw/zinc/86/55/57/875865557.db2.gz	OGJRRGIMTNRJHI-HNBVOPMISA-N	1	0	367.493	1.494	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)Cn2cccn2)[C@H](C)C1	ZINC001106533590	875885319	/nfs/dbraw/zinc/88/53/19/875885319.db2.gz	BEQKUIMQJDMJCW-QRVBRYPASA-N	1	0	360.502	1.512	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106556489	875947247	/nfs/dbraw/zinc/94/72/47/875947247.db2.gz	QODBZKYXGBQCGO-ZTTMTSROSA-N	1	0	356.441	1.754	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(C(F)F)CCCC2)C[C@H]1C	ZINC001106575821	876008582	/nfs/dbraw/zinc/00/85/82/876008582.db2.gz	OAKJLBLTNFBWKV-ZIAGYGMSSA-N	1	0	357.445	1.798	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC2CCC2)NC(C)=O)C[C@H]1C	ZINC001106582209	876030117	/nfs/dbraw/zinc/03/01/17/876030117.db2.gz	WPNKGRVULOHUKG-ATZDWAIDSA-N	1	0	363.502	1.015	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2cc(F)ccc2F)C[C@H]1C	ZINC001106594230	876078471	/nfs/dbraw/zinc/07/84/71/876078471.db2.gz	PDUXDWPJYSWRHD-UKRRQHHQSA-N	1	0	365.424	1.494	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(OC)cc2C)C[C@H]1C	ZINC001106609680	876179326	/nfs/dbraw/zinc/17/93/26/876179326.db2.gz	KGSDDMQLTDYTFR-HZPDHXFCSA-N	1	0	357.454	1.051	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](Cc2c[nH]cn2)NC(C)=O)C[C@H]1C	ZINC001106621667	876247182	/nfs/dbraw/zinc/24/71/82/876247182.db2.gz	XRYSSXSUILYBCG-KYJSFNMBSA-N	1	0	361.490	1.107	20	30		FDEDRO
C[C@H](CCNc1ncc(C#N)cc1Cl)NC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC001106642178	876337746	/nfs/dbraw/zinc/33/77/46/876337746.db2.gz	JNUKKFATFRHOOK-LALPHHSUSA-N	1	0	365.865	1.632	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(CCC)CC2)C[C@H]1C	ZINC001106642088	876337808	/nfs/dbraw/zinc/33/78/08/876337808.db2.gz	RCROAVSHMKGPGC-HUUCEWRRSA-N	1	0	364.490	1.263	20	30		FDEDRO
NC(=NOCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1	ZINC000762674607	876377036	/nfs/dbraw/zinc/37/70/36/876377036.db2.gz	PMNGHFPXELWODU-UHFFFAOYSA-N	1	0	350.850	1.720	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(CCC(N)=O)cc2)C[C@H]1C	ZINC001106650311	876386996	/nfs/dbraw/zinc/38/69/96/876386996.db2.gz	JDDZQMHXGYHRDZ-VQIMIIECSA-N	1	0	371.481	1.052	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)NC3CC3)[C@H](C)C2)c1	ZINC001106650317	876387215	/nfs/dbraw/zinc/38/72/15/876387215.db2.gz	JEAFEMJMMHDWBB-JKIFEVAISA-N	1	0	354.454	1.028	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)NCC=C)[C@H](C)C2)c1	ZINC001106650504	876388134	/nfs/dbraw/zinc/38/81/34/876388134.db2.gz	PWYPKEOMSMOJMQ-RVKKMQEKSA-N	1	0	354.454	1.051	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C[C@H]1C	ZINC001106661806	876463263	/nfs/dbraw/zinc/46/32/63/876463263.db2.gz	TYTBXWGVDVBOTK-TVFCKZIOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(CF)CCOCC2)C[C@H]1C	ZINC001106667163	876483123	/nfs/dbraw/zinc/48/31/23/876483123.db2.gz	LKXVVWSAMPRNPH-BZUAXINKSA-N	1	0	369.481	1.128	20	30		FDEDRO
CC[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1	ZINC001106687705	876566298	/nfs/dbraw/zinc/56/62/98/876566298.db2.gz	XOYBNKRQZDLLPQ-ZMYBRWDISA-N	1	0	356.470	1.657	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C)c(F)c2F)C[C@H]1C	ZINC001106688274	876567380	/nfs/dbraw/zinc/56/73/80/876567380.db2.gz	JXYFWCMKAXTURU-ZIAGYGMSSA-N	1	0	363.408	1.320	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@H]1C	ZINC001106693539	876574642	/nfs/dbraw/zinc/57/46/42/876574642.db2.gz	ODWSBDZYRCKUIV-GQIGUUNPSA-N	1	0	369.509	1.776	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(F)cc(Cl)c2)C[C@H]1C	ZINC001106694693	876578658	/nfs/dbraw/zinc/57/86/58/876578658.db2.gz	YJILKCKUUDYLDO-TZMCWYRMSA-N	1	0	365.836	1.526	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)CCO3)C[C@H]1C	ZINC001106689848	876581349	/nfs/dbraw/zinc/58/13/49/876581349.db2.gz	PXJHEGRKOATMPZ-RVKKMQEKSA-N	1	0	371.481	1.610	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C)cc2F)C[C@H]1C	ZINC001106697454	876599297	/nfs/dbraw/zinc/59/92/97/876599297.db2.gz	ZEZGDQRTSMZHFT-BZUAXINKSA-N	1	0	359.445	1.570	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnnc3ccccc32)C[C@H]1C	ZINC001106701044	876611301	/nfs/dbraw/zinc/61/13/01/876611301.db2.gz	ZBLZLQOGISIIGV-HZPDHXFCSA-N	1	0	352.438	1.577	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106704923	876880015	/nfs/dbraw/zinc/88/00/15/876880015.db2.gz	JAPOQAHVMFYOOG-NVXWUHKLSA-N	1	0	354.429	1.827	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCO[C@@H](C)C2)[C@H](C)C1	ZINC001106711050	876900463	/nfs/dbraw/zinc/90/04/63/876900463.db2.gz	JCPKAUQETNJCJN-IXDOHACOSA-N	1	0	365.518	1.520	20	30		FDEDRO
C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000670206984	876910583	/nfs/dbraw/zinc/91/05/83/876910583.db2.gz	YTTBVRARHJKXLO-MRXNPFEDSA-N	1	0	371.489	1.413	20	30		FDEDRO
CC[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106717540	876940072	/nfs/dbraw/zinc/94/00/72/876940072.db2.gz	FKYGOCCSEZCKHT-BHIYHBOVSA-N	1	0	370.497	1.579	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(S(C)(=O)=O)o2)C[C@H]1C	ZINC001106718692	876949131	/nfs/dbraw/zinc/94/91/31/876949131.db2.gz	ROAWEYQOGUUEEU-ZIAGYGMSSA-N	1	0	354.472	1.947	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2CCS(=O)(=O)CC2)C[C@H]1C	ZINC001106720991	876960418	/nfs/dbraw/zinc/96/04/18/876960418.db2.gz	PPJXYCTYTBQRMB-BFYDXBDKSA-N	1	0	356.532	1.850	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C[NH+](C)C)C(C)C)c1	ZINC000915622363	877134670	/nfs/dbraw/zinc/13/46/70/877134670.db2.gz	BUFZIBNUOOCQBT-INIZCTEOSA-N	1	0	353.488	1.467	20	30		FDEDRO
C[NH+](C)CCCOc1cnccc1CNS(=O)(=O)CC(C)(C)C#N	ZINC000915691995	877209617	/nfs/dbraw/zinc/20/96/17/877209617.db2.gz	FVXFKJUIUSBSBY-UHFFFAOYSA-N	1	0	354.476	1.381	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2coc(C)n2)[C@H](C)C1	ZINC001106733856	877277203	/nfs/dbraw/zinc/27/72/03/877277203.db2.gz	IXWBYVLDLZXGLM-MZMPZRCHSA-N	1	0	362.474	1.638	20	30		FDEDRO
C#Cc1cncc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C3)c1	ZINC001003866554	877400328	/nfs/dbraw/zinc/40/03/28/877400328.db2.gz	DPACWVXLKFMTIW-AKHDSKFASA-N	1	0	366.465	1.409	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]CCn3nc(C)cc3C)[C@H](C)C2)nn1	ZINC001106743424	877426391	/nfs/dbraw/zinc/42/63/91/877426391.db2.gz	KHWSQPJCNIJBPH-RHSMWYFYSA-N	1	0	371.489	1.275	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]C[C@@H](OC)C3CCC3)[C@H](C)C2)nn1	ZINC001106743461	877426427	/nfs/dbraw/zinc/42/64/27/877426427.db2.gz	LZABHGRGNYYMJV-QGPMSJSTSA-N	1	0	361.490	1.577	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2scnc2C(C)C)C[C@H]1C	ZINC001106744906	877451175	/nfs/dbraw/zinc/45/11/75/877451175.db2.gz	IJYLIBLLYYGFNV-ZIAGYGMSSA-N	1	0	362.499	1.314	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)COC3)C[C@H]1C	ZINC001106756232	877574462	/nfs/dbraw/zinc/57/44/62/877574462.db2.gz	PNUZWJGEOQAXOB-ZRGWGRIASA-N	1	0	371.481	1.705	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O	ZINC000922324882	877634500	/nfs/dbraw/zinc/63/45/00/877634500.db2.gz	VAGVRBJXZRRTNL-MWKCUULMSA-N	1	0	365.518	1.747	20	30		FDEDRO
CCc1ccc([C@@H](C)C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)cc1	ZINC001106767553	877647644	/nfs/dbraw/zinc/64/76/44/877647644.db2.gz	HYXRMPBOWADBKB-GPMSIDNRSA-N	1	0	370.497	1.676	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2c[nH]nc2-c2cccnc2)C[C@H]1C	ZINC001106772605	877717376	/nfs/dbraw/zinc/71/73/76/877717376.db2.gz	ROVKMQRCSKGMHM-NVXWUHKLSA-N	1	0	367.453	1.419	20	30		FDEDRO
C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC)[C@H](C)C1	ZINC000670230251	877937886	/nfs/dbraw/zinc/93/78/86/877937886.db2.gz	YIHNSZVGCOMFFI-CABCVRRESA-N	1	0	367.519	1.287	20	30		FDEDRO
C#CCN(C(=O)NC[C@H](C)N(C)C(=O)OC(C)(C)C)C1CC[NH+](C)CC1	ZINC000922386946	878006934	/nfs/dbraw/zinc/00/69/34/878006934.db2.gz	ROHKWUQDBHPTGV-HNNXBMFYSA-N	1	0	366.506	1.981	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)CCC)C[C@H]1C	ZINC001106809703	878134786	/nfs/dbraw/zinc/13/47/86/878134786.db2.gz	FAVQZKFTGLNXGB-BZUAXINKSA-N	1	0	366.506	1.509	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCCCS(N)(=O)=O)C2	ZINC001111528085	878182623	/nfs/dbraw/zinc/18/26/23/878182623.db2.gz	RDZISANWWZCHRK-OAGGEKHMSA-N	1	0	357.520	1.523	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1	ZINC000673595072	878792464	/nfs/dbraw/zinc/79/24/64/878792464.db2.gz	LAGFUQCTNRFKSU-SFHVURJKSA-N	1	0	359.470	1.428	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]2OC)CC1	ZINC000946587588	878797003	/nfs/dbraw/zinc/79/70/03/878797003.db2.gz	NGDGPEZTQGYQOW-KURKYZTESA-N	1	0	363.502	1.415	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N(C)[C@H]2CCN(Cc3ccc(C#N)s3)C2)C1	ZINC001033085162	878809910	/nfs/dbraw/zinc/80/99/10/878809910.db2.gz	OMJRUDJEUGHBKC-DVOMOZLQSA-N	1	0	360.483	1.567	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)C(C)C	ZINC000428914580	878824853	/nfs/dbraw/zinc/82/48/53/878824853.db2.gz	MSRLHCWRCKCAQB-ZJPYXAASSA-N	1	0	362.518	1.994	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)C2=O)cc1	ZINC000329766120	878943909	/nfs/dbraw/zinc/94/39/09/878943909.db2.gz	XSSYZWXCHJSMCS-IEBWSBKVSA-N	1	0	366.465	1.998	20	30		FDEDRO
C#Cc1cncc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C3)c1	ZINC001004358428	879212535	/nfs/dbraw/zinc/21/25/35/879212535.db2.gz	DLYNZZBPFLIQEZ-OWYHZJEWSA-N	1	0	366.465	1.266	20	30		FDEDRO
COc1ncc(C(=O)N2C[C@@H](C[NH2+]CC#Cc3ccccc3)[C@H](C)C2)cn1	ZINC001106831269	879354385	/nfs/dbraw/zinc/35/43/85/879354385.db2.gz	JQIGWYRCFKORMR-VQIMIIECSA-N	1	0	364.449	1.835	20	30		FDEDRO
C=C1CCC(CNC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1	ZINC000922873705	879559082	/nfs/dbraw/zinc/55/90/82/879559082.db2.gz	XJRYFEYHLOWUPC-UHFFFAOYSA-N	1	0	364.534	1.829	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2Cc2cnon2)CC1	ZINC001004546716	879846075	/nfs/dbraw/zinc/84/60/75/879846075.db2.gz	KKHGBNMJPJSNHX-SQNIBIBYSA-N	1	0	360.458	1.864	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2OC)C1	ZINC000946632995	879924165	/nfs/dbraw/zinc/92/41/65/879924165.db2.gz	ZFNHNCALOKPDCW-IAGOWNOFSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3ccccc3C)C[C@@H]2O)nn1	ZINC001083843597	879961857	/nfs/dbraw/zinc/96/18/57/879961857.db2.gz	PGMVZYGSOOKXFO-KYJSFNMBSA-N	1	0	355.442	1.309	20	30		FDEDRO
C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC000993864821	880020799	/nfs/dbraw/zinc/02/07/99/880020799.db2.gz	QFQKLGIBBAOXCQ-GDBMZVCRSA-N	1	0	369.469	1.339	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2oc(CC)nc2C)C[C@H]1C	ZINC001106838158	880228067	/nfs/dbraw/zinc/22/80/67/880228067.db2.gz	PAXMYJSHKRMKSH-BPLDGKMQSA-N	1	0	362.474	1.534	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)Cc3ccoc3)C[C@H]2C)CC1	ZINC000994136662	880896076	/nfs/dbraw/zinc/89/60/76/880896076.db2.gz	NOOGTDPUHLLWIE-VQIMIIECSA-N	1	0	371.481	1.378	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cn([C@H]3CCOC3)nn2)C[C@H]1C	ZINC001106847004	881025281	/nfs/dbraw/zinc/02/52/81/881025281.db2.gz	MJVIHUXQTRJHHE-BNOWGMLFSA-N	1	0	353.854	1.290	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2[C@H]2CCOC2)C[C@H]1C(F)(F)F	ZINC001099285543	881151486	/nfs/dbraw/zinc/15/14/86/881151486.db2.gz	ZXBYBXKPQASYOP-CYZMBNFOSA-N	1	0	356.348	1.139	20	30		FDEDRO
S=C(NCCCN1CCOCC1)NN=C1CSCc2ccccc21	ZINC000915942822	881255909	/nfs/dbraw/zinc/25/59/09/881255909.db2.gz	RVQXZCOOXGHKAV-UHFFFAOYSA-N	1	0	364.540	1.824	20	30		FDEDRO
C#CCSCCNC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000153808901	881285271	/nfs/dbraw/zinc/28/52/71/881285271.db2.gz	LAWRZUIBDQFWGB-UHFFFAOYSA-N	1	0	374.554	1.860	20	30		FDEDRO
C#CC[C@@H](CO)NC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000916049799	881316029	/nfs/dbraw/zinc/31/60/29/881316029.db2.gz	IGXOENQHKJVDNA-ZBFHGGJFSA-N	1	0	362.449	1.322	20	30		FDEDRO
CN(C)C(=O)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001112542926	883235214	/nfs/dbraw/zinc/23/52/14/883235214.db2.gz	YZOCQAKFARSNFW-RXVVDRJESA-N	1	0	368.481	1.755	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(Cc3ccc(C(=O)NC)cc3)C[C@@H]2O)C1	ZINC001083756392	883314443	/nfs/dbraw/zinc/31/44/43/883314443.db2.gz	RHUCCOGCGVVBOW-SJORKVTESA-N	1	0	357.454	1.064	20	30		FDEDRO
CCCc1[nH]ccc1C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1O	ZINC001077547455	883319757	/nfs/dbraw/zinc/31/97/57/883319757.db2.gz	VGGLCFLBEKDBCJ-IAGOWNOFSA-N	1	0	358.467	1.875	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2C#N)C1	ZINC000999405029	912714728	/nfs/dbraw/zinc/71/47/28/912714728.db2.gz	FFSBBYNFOCXCRR-VHSSKADRSA-N	1	0	361.417	1.582	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1	ZINC001033951536	883569937	/nfs/dbraw/zinc/56/99/37/883569937.db2.gz	GEOHBKCBVWTZMT-KURKYZTESA-N	1	0	363.502	1.655	20	30		FDEDRO
CCN(C(=O)[C@H]1C[C@H]1C(=O)N(C)C)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1	ZINC001033954576	883580435	/nfs/dbraw/zinc/58/04/35/883580435.db2.gz	QFTNPAYSIDGKOE-QRVBRYPASA-N	1	0	368.481	1.705	20	30		FDEDRO
CCN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1	ZINC001033958751	883593238	/nfs/dbraw/zinc/59/32/38/883593238.db2.gz	ZFFBDAJCLFJCGJ-CEXWTWQISA-N	1	0	368.481	1.883	20	30		FDEDRO
Cc1ccccc1CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)C#N)[C@@H](n2ccnn2)C1	ZINC001128829925	883754270	/nfs/dbraw/zinc/75/42/70/883754270.db2.gz	LMYQUKCELLUNLE-QRQLOZEOSA-N	1	0	366.469	1.721	20	30		FDEDRO
Cc1ccc([C@@H](C)C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)cc1	ZINC001106889573	883758867	/nfs/dbraw/zinc/75/88/67/883758867.db2.gz	UJAHFXKTNJAHEO-JFIYKMOQSA-N	1	0	356.470	1.422	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](n2ccnn2)C1	ZINC001128882878	883944666	/nfs/dbraw/zinc/94/46/66/883944666.db2.gz	BFBBWGDUBYOORL-SJORKVTESA-N	1	0	370.457	1.780	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCCO2)[C@@H](n2ccnn2)C1	ZINC001128891451	883963917	/nfs/dbraw/zinc/96/39/17/883963917.db2.gz	BHMRRCBFTVITIX-SQNIBIBYSA-N	1	0	361.490	1.935	20	30		FDEDRO
C=CCOCCN1C[C@@H](NC(=O)c2oc(C)cc2C)[C@@H](n2ccnn2)C1	ZINC001128886383	883972551	/nfs/dbraw/zinc/97/25/51/883972551.db2.gz	MMCOWPGESPWGKL-CVEARBPZSA-N	1	0	359.430	1.346	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]CCn2cccn2)[C@H](C)C1	ZINC001106890995	884243085	/nfs/dbraw/zinc/24/30/85/884243085.db2.gz	QQFVICUNCJKADG-IAGOWNOFSA-N	1	0	367.453	1.288	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@@H]1n1ccnn1	ZINC001128976247	884544421	/nfs/dbraw/zinc/54/44/21/884544421.db2.gz	LPOXTRQJBWJVFC-KURKYZTESA-N	1	0	359.474	1.096	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3cccc(C#N)c3)C2)O1	ZINC000999499180	912843502	/nfs/dbraw/zinc/84/35/02/912843502.db2.gz	ZSVXLUGVWUYADE-AYOQOUSVSA-N	1	0	356.470	1.358	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC2)C1=O	ZINC001034665480	884636779	/nfs/dbraw/zinc/63/67/79/884636779.db2.gz	KINNUOVUFXMTGQ-HHARLNAUSA-N	1	0	371.485	1.317	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1CN(Cc2cccc(F)c2)C[C@@H]1n1ccnn1	ZINC001128985572	884740742	/nfs/dbraw/zinc/74/07/42/884740742.db2.gz	QHSUUPMCBHEMIQ-MSOLQXFVSA-N	1	0	353.401	1.372	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnnn2CC)CC1	ZINC001034753528	884964686	/nfs/dbraw/zinc/96/46/86/884964686.db2.gz	JNEXLUOBUUZJBQ-LAQRGFTBSA-N	1	0	361.490	1.796	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2nnnn2C)CC1	ZINC001034755232	884971134	/nfs/dbraw/zinc/97/11/34/884971134.db2.gz	YOPNCQKWSWIRHF-QXKUPLGCSA-N	1	0	362.478	1.269	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@]23C[C@H]2COC3)[C@@H](n2ccnn2)C1	ZINC001129004162	884992776	/nfs/dbraw/zinc/99/27/76/884992776.db2.gz	MVDHKUQSMXFMKT-ZMMAXQRCSA-N	1	0	361.490	1.627	20	30		FDEDRO
Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC[C@@](O)(C[NH+](C)C)C1	ZINC000918973768	885134392	/nfs/dbraw/zinc/13/43/92/885134392.db2.gz	XRGHIKJQSFLZLZ-MRXNPFEDSA-N	1	0	355.435	1.083	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2OCCc3ccsc32)[C@@H](O)C1	ZINC001083967470	912909118	/nfs/dbraw/zinc/90/91/18/912909118.db2.gz	JCUPJBOKEPXBOD-PMPSAXMXSA-N	1	0	350.484	1.880	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(C[NH2+][C@@H]2CCCN(C)C2=O)cc1	ZINC001034828679	885237607	/nfs/dbraw/zinc/23/76/07/885237607.db2.gz	KQCCVYSQKLJVRR-QRVBRYPASA-N	1	0	371.481	1.604	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1n1ccnn1	ZINC001129019834	885246510	/nfs/dbraw/zinc/24/65/10/885246510.db2.gz	AZSRCQCCDKHFSN-BBWFWOEESA-N	1	0	361.490	1.649	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc(C3CC3)nn2C)[C@@H](n2ccnn2)C1	ZINC001129020154	885251447	/nfs/dbraw/zinc/25/14/47/885251447.db2.gz	MDWUGPAVIULVFN-AEFFLSMTSA-N	1	0	369.473	1.511	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCCc3cccc(C)c3)C[C@@H]2O)nc1	ZINC001083969048	912915724	/nfs/dbraw/zinc/91/57/24/912915724.db2.gz	RIRZNVUOCFRWNB-RTWAWAEBSA-N	1	0	363.461	1.779	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3nccn32)[C@@H](n2ccnn2)C1	ZINC001129043104	885515729	/nfs/dbraw/zinc/51/57/29/885515729.db2.gz	HLLLIEWKGDMTCX-IKGGRYGDSA-N	1	0	369.473	1.360	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@@H]2n2ccnn2)CCC1	ZINC001129048850	885535144	/nfs/dbraw/zinc/53/51/44/885535144.db2.gz	KMZVVLXZBCPQAZ-KURKYZTESA-N	1	0	371.485	1.240	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001035053000	885557474	/nfs/dbraw/zinc/55/74/74/885557474.db2.gz	UOIIEMCOXJIZQV-KURKYZTESA-N	1	0	354.454	1.363	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cnnn2C)CC(C)(C)C1	ZINC001089492986	885662583	/nfs/dbraw/zinc/66/25/83/885662583.db2.gz	RWXUNIFZIFIHCV-UAGQMJEPSA-N	1	0	361.490	1.513	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)c2c(C)n[nH]c2C)[C@@H](n2ccnn2)C1	ZINC001129079407	885686974	/nfs/dbraw/zinc/68/69/74/885686974.db2.gz	JFHYCMVBAOWVAI-XKQJLSEDSA-N	1	0	371.489	1.729	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CCc2nc(C)cs2)[C@@H](n2ccnn2)C1	ZINC001129103180	885699056	/nfs/dbraw/zinc/69/90/56/885699056.db2.gz	GBCZBVQHWNZPRI-CABCVRRESA-N	1	0	358.471	1.041	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3ccnc3C2)[C@@H](n2ccnn2)C1	ZINC001129084169	885706897	/nfs/dbraw/zinc/70/68/97/885706897.db2.gz	DKJQYFYSWOLJTE-ZACQAIPSSA-N	1	0	369.473	1.045	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)c2cccnc2)[C@@H](n2ccnn2)C1	ZINC001129084334	885709957	/nfs/dbraw/zinc/70/99/57/885709957.db2.gz	HSWXCSNIIUEZSP-MSOLQXFVSA-N	1	0	368.485	1.959	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCCO[C@@H]3CCOC3)[C@H](C)C2)cn1	ZINC001106894247	885738851	/nfs/dbraw/zinc/73/88/51/885738851.db2.gz	HHPXYWRTIWIOHM-YVWKXTFCSA-N	1	0	371.481	1.556	20	30		FDEDRO
C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1OCC[C@@H]1Cn1cccn1)CC2	ZINC001035238997	885802992	/nfs/dbraw/zinc/80/29/92/885802992.db2.gz	YQRPTFASIPQDGB-RTBURBONSA-N	1	0	370.497	1.626	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC=CCC2)[C@@H](n2ccnn2)C1	ZINC001129147685	885876203	/nfs/dbraw/zinc/87/62/03/885876203.db2.gz	LJLWZVPGNCSHEO-KSZLIROESA-N	1	0	359.474	1.569	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCc2ccc(NC(=O)OC)cc2)CC1	ZINC000919590120	885914331	/nfs/dbraw/zinc/91/43/31/885914331.db2.gz	AXVLCKCEGMBOHL-UHFFFAOYSA-N	1	0	358.442	1.804	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(Cc3ccc(C#N)cc3)CCO2)CC[N@@H+]1C	ZINC001035374661	885945656	/nfs/dbraw/zinc/94/56/56/885945656.db2.gz	CPYHASFVUFDFNY-HSALFYBXSA-N	1	0	370.497	1.606	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2csc(=O)[nH]2)[C@@H](n2ccnn2)C1	ZINC001129179264	885992630	/nfs/dbraw/zinc/99/26/30/885992630.db2.gz	BFLYQQNHUBPSBY-SCRDCRAPSA-N	1	0	362.459	1.450	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C	ZINC000670608117	886068300	/nfs/dbraw/zinc/06/83/00/886068300.db2.gz	MGFUENAYURSNSA-FHWLQOOXSA-N	1	0	373.497	1.373	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1n1ccnn1	ZINC001129184410	886079264	/nfs/dbraw/zinc/07/92/64/886079264.db2.gz	FBFDVPMYKVAXFV-NXHRZFHOSA-N	1	0	371.489	1.198	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[N@H+](CC2CCOCC2)CCO1	ZINC001035542417	886131973	/nfs/dbraw/zinc/13/19/73/886131973.db2.gz	OPFRVWYFDBVNIN-BZSNNMDCSA-N	1	0	352.475	1.211	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)CCc2ccc(=O)[nH]c2)[C@@H](n2ccnn2)C1	ZINC001129199866	886313371	/nfs/dbraw/zinc/31/33/71/886313371.db2.gz	NKAIZFSMPHGNMK-SJORKVTESA-N	1	0	370.457	1.319	20	30		FDEDRO
C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCO[C@H]1c1nccn1C)CC2	ZINC001035726094	886381790	/nfs/dbraw/zinc/38/17/90/886381790.db2.gz	LOEUGVNNZJAPEI-IAGOWNOFSA-N	1	0	358.486	1.998	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(C[NH+](CCn3cccn3)C2)CC1	ZINC001035816382	886472382	/nfs/dbraw/zinc/47/23/82/886472382.db2.gz	SQLKTSMVHATDKB-ROUUACIJSA-N	1	0	358.486	1.789	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1CN(Cc2ncccc2C)C[C@@H]1n1ccnn1	ZINC001129214810	886584999	/nfs/dbraw/zinc/58/49/99/886584999.db2.gz	NHTFAHZCHBDICV-MSOLQXFVSA-N	1	0	354.458	1.880	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)C2CCC(F)CC2)[C@@H](n2ccnn2)C1	ZINC001129233489	886717706	/nfs/dbraw/zinc/71/77/06/886717706.db2.gz	QWLQSXAKACAANZ-BACDZXNISA-N	1	0	365.453	1.351	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CN(C)c3cncc(C#N)n3)C2)CC[N@@H+]1C	ZINC001062185201	886953418	/nfs/dbraw/zinc/95/34/18/886953418.db2.gz	HOOFONWLSOLPKP-HYVNUMGLSA-N	1	0	356.474	1.363	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCC2CN(Cc3ccc(OC)c(C#N)c3)C2)CC[N@@H+]1C	ZINC001031684151	887455117	/nfs/dbraw/zinc/45/51/17/887455117.db2.gz	ITBYMHLIYBRYDP-RBUKOAKNSA-N	1	0	370.497	1.845	20	30		FDEDRO
C=CCn1cc(CNC(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)nn1	ZINC000922954940	887579546	/nfs/dbraw/zinc/57/95/46/887579546.db2.gz	KKLQFGMDLQDBGE-MRXNPFEDSA-N	1	0	362.478	1.249	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CN(C(=O)Nc3ccn(CCC#N)n3)C[C@@H]2[C@@H]1c1ccccc1	ZINC000372642410	887665925	/nfs/dbraw/zinc/66/59/25/887665925.db2.gz	CNUTWNZSCNWSIC-AOIWGVFYSA-N	1	0	364.453	2.563	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2nccs2)C3)CC1	ZINC000999691059	913176691	/nfs/dbraw/zinc/17/66/91/913176691.db2.gz	MFKKZAUSYJDFLF-PMPSAXMXSA-N	1	0	372.494	1.350	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2cn(-c3ccc(OC)cc3)nn2)CC1	ZINC000921392266	887866110	/nfs/dbraw/zinc/86/61/10/887866110.db2.gz	HENGPUFAZXRSGU-UHFFFAOYSA-N	1	0	368.441	1.173	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H]2Cc3cccc(O)c3C2)CC1	ZINC000429318822	887998388	/nfs/dbraw/zinc/99/83/88/887998388.db2.gz	PKOBLYSOVDCKCB-AEFFLSMTSA-N	1	0	356.470	1.141	20	30		FDEDRO
C#CCCN1CCN(C(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)CC1	ZINC000064443166	888118498	/nfs/dbraw/zinc/11/84/98/888118498.db2.gz	VMPBPVNAAMBFAY-UHFFFAOYSA-N	1	0	356.426	1.385	20	30		FDEDRO
C=CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1	ZINC000282145718	888141106	/nfs/dbraw/zinc/14/11/06/888141106.db2.gz	BTCXIWVDDWJBLM-UHFFFAOYSA-N	1	0	371.489	1.450	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](CCc2ccc(Cl)cc2)C[C@H]1OC	ZINC001212262116	888146941	/nfs/dbraw/zinc/14/69/41/888146941.db2.gz	BVOGCYBEHPESAC-QZTJIDSGSA-N	1	0	364.873	1.738	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC(NC(=O)C[NH+]2CCCC2)CC1	ZINC000946866815	888185617	/nfs/dbraw/zinc/18/56/17/888185617.db2.gz	AHPHOXDHLNLQLT-HKUYNNGSSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CN(CC)CCO2)C1	ZINC001005951384	888198216	/nfs/dbraw/zinc/19/82/16/888198216.db2.gz	OZEHWHSJLVXKBC-NCOADZHNSA-N	1	0	361.486	1.312	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCCOc2ccccc2)C[C@H]1OC	ZINC001212264176	888223244	/nfs/dbraw/zinc/22/32/44/888223244.db2.gz	BVSIDFAYHDVKCY-QXAKKESOSA-N	1	0	360.454	1.309	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CNC(=O)N2CCCC2)[C@H](OC)C1	ZINC001212264430	888231527	/nfs/dbraw/zinc/23/15/27/888231527.db2.gz	IKTNIVPIKDBHBV-IAGOWNOFSA-N	1	0	366.506	1.354	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N(C)C1CC[NH+](CC#Cc2ccccc2)CC1	ZINC001006002499	888626872	/nfs/dbraw/zinc/62/68/72/888626872.db2.gz	XKHNWVRAVLSMJA-UXHICEINSA-N	1	0	367.493	1.685	20	30		FDEDRO
COc1ccc(C[NH+]2CCC(N(C)C(=O)[C@H]3C[C@H]3C(N)=O)CC2)cc1C#N	ZINC001006007638	888681343	/nfs/dbraw/zinc/68/13/43/888681343.db2.gz	MBXSXPCTGGXTAY-SJORKVTESA-N	1	0	370.453	1.111	20	30		FDEDRO
CN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CC[NH+](Cc2ccc(OCC#N)cc2)CC1	ZINC001006008489	888690126	/nfs/dbraw/zinc/69/01/26/888690126.db2.gz	SXNXINBMGKRLLG-MSOLQXFVSA-N	1	0	370.453	1.133	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000923298863	888801618	/nfs/dbraw/zinc/80/16/18/888801618.db2.gz	QFGSTNAGBLBCFG-DOTOQJQBSA-N	1	0	350.426	1.635	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](Cc3c(C)cc(C)cc3C)C[C@@H]2O)c1	ZINC001083765324	888895338	/nfs/dbraw/zinc/89/53/38/888895338.db2.gz	YPZHDCJMEWVHON-RTWAWAEBSA-N	1	0	363.461	1.963	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cn1	ZINC000938609736	888956701	/nfs/dbraw/zinc/95/67/01/888956701.db2.gz	ZQMRGXJPCAWDMR-CEXWTWQISA-N	1	0	368.481	1.466	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1	ZINC000946891371	888969657	/nfs/dbraw/zinc/96/96/57/888969657.db2.gz	DMZQWQNKQUOCJQ-BZSNNMDCSA-N	1	0	363.502	1.559	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCCC[NH+]1CCCC1	ZINC000462019776	889033832	/nfs/dbraw/zinc/03/38/32/889033832.db2.gz	ZYJQQODZBDJDEO-UHFFFAOYSA-N	1	0	353.430	2.055	20	30		FDEDRO
C#CCN(C(=O)NC[C@@H]1CC[C@H](c2nc(C)no2)O1)C1CC[NH+](C)CC1	ZINC000923377192	889049922	/nfs/dbraw/zinc/04/99/22/889049922.db2.gz	HKLZSXNFNOOCQV-JKSUJKDBSA-N	1	0	361.446	1.337	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C	ZINC000923487598	889413813	/nfs/dbraw/zinc/41/38/13/889413813.db2.gz	MVVUZDHTLBVLEW-IRXDYDNUSA-N	1	0	351.491	1.700	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccc(F)cc1F	ZINC001127604350	889490498	/nfs/dbraw/zinc/49/04/98/889490498.db2.gz	DESWZQLAYUNXAB-CJNGLKHVSA-N	1	0	367.396	1.590	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CCOCC(F)(F)C(F)F	ZINC001127605193	889512965	/nfs/dbraw/zinc/51/29/65/889512965.db2.gz	UAIATNGUUWAOHT-NEPJUHHUSA-N	1	0	356.360	1.590	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccc(F)c(F)c1	ZINC001127605431	889532397	/nfs/dbraw/zinc/53/23/97/889532397.db2.gz	ZRCKCIMJLVNAAH-CJNGLKHVSA-N	1	0	367.396	1.590	20	30		FDEDRO
CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1(C)C	ZINC000246195397	889599146	/nfs/dbraw/zinc/59/91/46/889599146.db2.gz	XJNMXJHKARWFEY-KZNAEPCWSA-N	1	0	364.534	1.814	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1cccc(CC)c1	ZINC001127608597	889721675	/nfs/dbraw/zinc/72/16/75/889721675.db2.gz	AYCIRTDPQMYZGP-MSOLQXFVSA-N	1	0	359.470	1.875	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)Cc1ccc(C)o1	ZINC001127608931	889734229	/nfs/dbraw/zinc/73/42/29/889734229.db2.gz	JILIYSPWUDIWHG-SJORKVTESA-N	1	0	363.458	1.233	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)c2[nH]c3ccccc3c2CC(=O)OC)C1	ZINC000923561763	889833368	/nfs/dbraw/zinc/83/33/68/889833368.db2.gz	LIGTVORNYJNVQP-CQSZACIVSA-N	1	0	353.422	1.711	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)C2CC[NH+](C3CCN(CC)CC3)CC2)C1	ZINC000923561797	889835218	/nfs/dbraw/zinc/83/52/18/889835218.db2.gz	MJYIAHFQBBTQDA-LJQANCHMSA-N	1	0	360.546	1.397	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H](NC(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)C1	ZINC000923589982	889997175	/nfs/dbraw/zinc/99/71/75/889997175.db2.gz	NYJPHKHDSURGNH-OZSKJFCKSA-N	1	0	367.453	1.533	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1	ZINC000939120543	890017469	/nfs/dbraw/zinc/01/74/69/890017469.db2.gz	KBLFCBJZPQUBRP-ZACQAIPSSA-N	1	0	358.486	1.735	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)[C@@H](n2ccnn2)C1	ZINC001129284674	890034350	/nfs/dbraw/zinc/03/43/50/890034350.db2.gz	UVKLEYOBWNPKFG-VQHPVUNQSA-N	1	0	355.442	1.983	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)OCc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129292782	890120356	/nfs/dbraw/zinc/12/03/56/890120356.db2.gz	APDJRXZCJXIJJX-QRQLOZEOSA-N	1	0	369.469	1.801	20	30		FDEDRO
CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCN(c2ncc(C#N)cc2F)C1	ZINC001063145730	890240928	/nfs/dbraw/zinc/24/09/28/890240928.db2.gz	AKVXSKJTYGIOQR-FVQBIDKESA-N	1	0	359.449	1.860	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CCN(c3nccnc3C#N)C2)CC[N@@H+]1C	ZINC001063147821	890247481	/nfs/dbraw/zinc/24/74/81/890247481.db2.gz	JKIYGYIJZLYCRV-YQQAZPJKSA-N	1	0	356.474	1.506	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1(NC(=O)[C@H](CC)[NH+](C)C)CCC1	ZINC001063186835	890281527	/nfs/dbraw/zinc/28/15/27/890281527.db2.gz	AZYACTKGOZISLQ-ULQDDVLXSA-N	1	0	365.518	1.853	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)CN2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c1C	ZINC000249204334	890309351	/nfs/dbraw/zinc/30/93/51/890309351.db2.gz	ASNSCLAWHBONIA-QZTJIDSGSA-N	1	0	372.513	1.937	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1	ZINC001063223358	890328769	/nfs/dbraw/zinc/32/87/69/890328769.db2.gz	FTPBJTNTZPXEEB-VQHPVUNQSA-N	1	0	363.502	1.463	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H](CCNc3ccnc(C#N)n3)C2)CC[N@@H+]1C	ZINC001063302307	890429584	/nfs/dbraw/zinc/42/95/84/890429584.db2.gz	UMYRFUWYAGIONM-BZUAXINKSA-N	1	0	356.474	1.151	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC(CCNc3cnc(C#N)cn3)CC2)CC[N@@H+]1C	ZINC001063341695	890477093	/nfs/dbraw/zinc/47/70/93/890477093.db2.gz	MUNZDYJGRICRNN-RHSMWYFYSA-N	1	0	356.474	1.729	20	30		FDEDRO
C[NH+](C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(C#N)c[nH]2)C3)CCC1	ZINC001001891042	891571526	/nfs/dbraw/zinc/57/15/26/891571526.db2.gz	SKFJYEUNVWSXEM-FMKPAKJESA-N	1	0	355.442	1.232	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[NH+]3CCC2CC3)c1	ZINC001001896964	891582879	/nfs/dbraw/zinc/58/28/79/891582879.db2.gz	GSBHXFNSDHOXEW-KONPQCLYSA-N	1	0	367.453	1.090	20	30		FDEDRO
C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C#N)c[nH]1)C2)C1CCC1	ZINC001001906058	891640736	/nfs/dbraw/zinc/64/07/36/891640736.db2.gz	XXLOUIKSZSHCII-INMHGKMJSA-N	1	0	355.442	1.232	20	30		FDEDRO
C=CCCOCC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2	ZINC001061037091	891688282	/nfs/dbraw/zinc/68/82/82/891688282.db2.gz	LIRDEQQHARZBOD-IAGOWNOFSA-N	1	0	363.502	1.370	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2=CCCC2)C3)CC1	ZINC001002002553	891775679	/nfs/dbraw/zinc/77/56/79/891775679.db2.gz	MLVJOEDTUWCAIT-QRVBRYPASA-N	1	0	355.482	1.690	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C#N)[nH]1)C2	ZINC001002091661	891914589	/nfs/dbraw/zinc/91/45/89/891914589.db2.gz	SMZAQFMCLCSMGT-IDCNUPLLSA-N	1	0	369.469	1.622	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC001002245384	892315791	/nfs/dbraw/zinc/31/57/91/892315791.db2.gz	DZHFJWLDHWKXOS-DNVCBOLYSA-N	1	0	369.465	1.227	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C[C@H]1C	ZINC001106920990	892575544	/nfs/dbraw/zinc/57/55/44/892575544.db2.gz	RHKBHSRMNIGNRN-INMHGKMJSA-N	1	0	357.520	1.109	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2(C3CCCCC3)CC2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106922948	892597198	/nfs/dbraw/zinc/59/71/98/892597198.db2.gz	URTORDNSFDQPOR-HZPDHXFCSA-N	1	0	360.502	1.671	20	30		FDEDRO
CCC[C@@H](NC(N)=O)C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1	ZINC001106925746	892732615	/nfs/dbraw/zinc/73/26/15/892732615.db2.gz	WGLSZZFXMCSPOQ-ZTFGCOKTSA-N	1	0	371.485	1.579	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2sccc2C(F)F)C[C@H]1C	ZINC001106932007	893023756	/nfs/dbraw/zinc/02/37/56/893023756.db2.gz	MQHSJOGURZASFB-VXGBXAGGSA-N	1	0	369.437	1.733	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3cncn3C)[C@H](C)C2)CCOCC1	ZINC001106932219	893025590	/nfs/dbraw/zinc/02/55/90/893025590.db2.gz	UKCVYBLEEPERSU-IAGOWNOFSA-N	1	0	360.502	1.977	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+][C@H](CC)C(N)=O)[C@H](C)C2)CCOCC1	ZINC001106933269	893037516	/nfs/dbraw/zinc/03/75/16/893037516.db2.gz	KVXUIVYTRIMNIR-BZUAXINKSA-N	1	0	351.491	1.307	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ncccc2OC(C)C)C[C@H]1C	ZINC001106934347	893057027	/nfs/dbraw/zinc/05/70/27/893057027.db2.gz	SNTNYNOMJCEOMW-IAGOWNOFSA-N	1	0	359.470	1.816	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000940765773	893092337	/nfs/dbraw/zinc/09/23/37/893092337.db2.gz	YIOPFWJXQRCFGE-BRWVUGGUSA-N	1	0	371.481	1.922	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)COc2ccccc2C)C[C@H]1C	ZINC001106942662	893307228	/nfs/dbraw/zinc/30/72/28/893307228.db2.gz	UBTBJBUGGUTQDI-FGTMMUONSA-N	1	0	371.481	1.196	20	30		FDEDRO
Cc1nc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(OCC#N)cc4)C[C@H]32)c[nH]1	ZINC001084233621	913789843	/nfs/dbraw/zinc/78/98/43/913789843.db2.gz	IFDFHFYTQJUPMZ-VQIMIIECSA-N	1	0	365.437	1.967	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cn3c(n2)C[C@H](C)CC3)[C@H](OC)C1	ZINC001212458706	893708033	/nfs/dbraw/zinc/70/80/33/893708033.db2.gz	NLTPPYUITCVZSQ-BFYDXBDKSA-N	1	0	362.474	1.097	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2(c3ccccc3)CC2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106952773	894331091	/nfs/dbraw/zinc/33/10/91/894331091.db2.gz	ZMDQXNMNKUEQKM-HZPDHXFCSA-N	1	0	354.454	1.042	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C(=O)OC)c(F)c1	ZINC000922023183	894417778	/nfs/dbraw/zinc/41/77/78/894417778.db2.gz	AGPOQTLFWIQMKG-UHFFFAOYSA-N	1	0	368.430	1.330	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1occc1Br	ZINC000922025384	894517806	/nfs/dbraw/zinc/51/78/06/894517806.db2.gz	KOGDJKPKDNAFAK-UHFFFAOYSA-N	1	0	361.261	1.760	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(C(=O)N(C)C)c1	ZINC000922024970	894519533	/nfs/dbraw/zinc/51/95/33/894519533.db2.gz	VZLCOOXPHIDDSC-UHFFFAOYSA-N	1	0	363.483	1.107	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(C)nn(C(C)C)c1C	ZINC000922024915	894520696	/nfs/dbraw/zinc/52/06/96/894520696.db2.gz	UPDMTZGQTHPSIN-UHFFFAOYSA-N	1	0	352.504	1.799	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(OC)c(OC)cc1F	ZINC000922026813	894546654	/nfs/dbraw/zinc/54/66/54/894546654.db2.gz	RCPDPNZMGKRYDH-UHFFFAOYSA-N	1	0	370.446	1.561	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](C[C@@H]2CCNC(=O)CC2)CC1	ZINC001002846065	894573005	/nfs/dbraw/zinc/57/30/05/894573005.db2.gz	ADVYUFIMKABIMJ-JQHSSLGASA-N	1	0	363.502	1.465	20	30		FDEDRO
Cc1cc(C)c(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)c(C)c1	ZINC001106954935	894716794	/nfs/dbraw/zinc/71/67/94/894716794.db2.gz	LDWIUDZLHVKAQO-IAGOWNOFSA-N	1	0	356.470	1.549	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000941549130	895269084	/nfs/dbraw/zinc/26/90/84/895269084.db2.gz	YLRHFMMGLTVNTH-NJAFHUGGSA-N	1	0	368.437	1.646	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C2C[NH+](CCc3ccccc3)C2)CC1	ZINC000941571622	895290188	/nfs/dbraw/zinc/29/01/88/895290188.db2.gz	BDWOVMIRIYOMIY-RTWAWAEBSA-N	1	0	369.509	1.649	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C2C[NH+](CC[C@@H](C)F)C2)CC1	ZINC000941602853	895361027	/nfs/dbraw/zinc/36/10/27/895361027.db2.gz	BEZVHNKQZOCMLJ-NJAFHUGGSA-N	1	0	353.482	1.544	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H](OC)C1	ZINC000941780763	895678797	/nfs/dbraw/zinc/67/87/97/895678797.db2.gz	ZVHXPMYFISAVTC-GVDBMIGSSA-N	1	0	365.518	1.805	20	30		FDEDRO
CC(C)[C@@H](O)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21	ZINC001084321894	913998174	/nfs/dbraw/zinc/99/81/74/913998174.db2.gz	GCVWBEQBDFIZJI-BHIYHBOVSA-N	1	0	357.454	1.639	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)[nH]1	ZINC001084335424	914061420	/nfs/dbraw/zinc/06/14/20/914061420.db2.gz	JPKVGYIDZLLYBU-IAGOWNOFSA-N	1	0	350.426	1.260	20	30		FDEDRO
O=C(NO)c1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccn3)C2)cc1	ZINC000671997644	896554933	/nfs/dbraw/zinc/55/49/33/896554933.db2.gz	YUUAVRJCIOESOL-QGZVFWFLSA-N	1	0	368.437	1.729	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1nc2ccccc2n1C1CC1	ZINC000183837336	896577270	/nfs/dbraw/zinc/57/72/70/896577270.db2.gz	YNEJHBMCCYCPMI-UHFFFAOYSA-N	1	0	356.474	1.498	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1	ZINC000942207457	896661002	/nfs/dbraw/zinc/66/10/02/896661002.db2.gz	BYBPIGXNFNEDER-OWSLCNJRSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1	ZINC000942276667	896785223	/nfs/dbraw/zinc/78/52/23/896785223.db2.gz	RLODPXDWRONCPV-AOIWGVFYSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H](C)Cn2ncc3ccccc3c2=O)CC1	ZINC000921706888	897234009	/nfs/dbraw/zinc/23/40/09/897234009.db2.gz	KDOYNVUBALTSGL-OAHLLOKOSA-N	1	0	367.453	1.182	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COc2cc(C)ccc2C)C[C@H]1C	ZINC001106974908	897266879	/nfs/dbraw/zinc/26/68/79/897266879.db2.gz	AJFLYDDRWZVGIT-QZTJIDSGSA-N	1	0	371.481	1.116	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(c2cccc(C[NH2+]CC#CC)n2)C1	ZINC001128118036	897299525	/nfs/dbraw/zinc/29/95/25/897299525.db2.gz	JPYGAXNIPKGIHD-QRVBRYPASA-N	1	0	368.481	1.481	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](CCn2nc(C)cc2C)C1	ZINC001032040410	897584394	/nfs/dbraw/zinc/58/43/94/897584394.db2.gz	BLIQVGKOKVLDKC-OALUTQOASA-N	1	0	360.502	1.919	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@]23C[C@H]2COC3)C1	ZINC000995264371	897604235	/nfs/dbraw/zinc/60/42/35/897604235.db2.gz	DUYQYYQFPRDRQZ-DYXWJJEUSA-N	1	0	353.466	1.792	20	30		FDEDRO
Cc1nccn1CC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1	ZINC001106986627	897622069	/nfs/dbraw/zinc/62/20/69/897622069.db2.gz	XTLHSUUQAOGLSV-YLJYHZDGSA-N	1	0	350.466	1.927	20	30		FDEDRO
C[C@@H](CC(C)(C)C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1	ZINC001112540665	897653432	/nfs/dbraw/zinc/65/34/32/897653432.db2.gz	INRRCNBTDIURIR-FTRWYGJKSA-N	1	0	362.518	1.917	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCC(F)(F)C3)C[C@H]2O)nc1	ZINC001078030075	897664910	/nfs/dbraw/zinc/66/49/10/897664910.db2.gz	GVGCRQJPVCAINR-DJIMGWMZSA-N	1	0	363.408	1.663	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCC3(F)F)C[C@H]2O)cn1	ZINC001078032551	897678215	/nfs/dbraw/zinc/67/82/15/897678215.db2.gz	UDQCCUGGJRLYGF-USXIJHARSA-N	1	0	363.408	1.663	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2OCCc3ccsc32)C1	ZINC001078033421	897683855	/nfs/dbraw/zinc/68/38/55/897683855.db2.gz	JCUPJBOKEPXBOD-OAGGEKHMSA-N	1	0	350.484	1.880	20	30		FDEDRO
CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000942743806	897719982	/nfs/dbraw/zinc/71/99/82/897719982.db2.gz	JFXUYFPDXKPJGN-VNQPRFMTSA-N	1	0	357.458	1.290	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(C)nc2)C[C@H]1C	ZINC001106988834	897721643	/nfs/dbraw/zinc/72/16/43/897721643.db2.gz	ULEJNWDYRKMDFT-UWWQBHOKSA-N	1	0	358.486	1.307	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CN(Cc2c(C)onc2CC)C[C@H]1O	ZINC001078082597	897909890	/nfs/dbraw/zinc/90/98/90/897909890.db2.gz	PAZWQOAKZJPABB-WOJBJXKFSA-N	1	0	367.449	1.431	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1C	ZINC001106991840	897979816	/nfs/dbraw/zinc/97/98/16/897979816.db2.gz	RUXOQDCHRGOLNB-OAGGEKHMSA-N	1	0	357.520	1.109	20	30		FDEDRO
C#Cc1ccc(C(=O)N(CC)[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC000942892127	898043494	/nfs/dbraw/zinc/04/34/94/898043494.db2.gz	IHQONLUKEPCWLO-ATZDWAIDSA-N	1	0	368.481	1.466	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000943199273	898506643	/nfs/dbraw/zinc/50/66/43/898506643.db2.gz	MALUFTIPRFDGOU-RYQLBKOJSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2nccs2)C[C@H]1C	ZINC001106999488	898858165	/nfs/dbraw/zinc/85/81/65/898858165.db2.gz	XRKPIEJUSOJYNQ-RBSFLKMASA-N	1	0	364.515	1.451	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CCC[NH+]1CCCC1	ZINC001078537812	898907352	/nfs/dbraw/zinc/90/73/52/898907352.db2.gz	BCGCRMZNPOIVPX-BBWFWOEESA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000943655154	899132255	/nfs/dbraw/zinc/13/22/55/899132255.db2.gz	XYUCUZRIYFQCKV-ZKXLYKBJSA-N	1	0	363.502	1.605	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)CC2)CC[N@@H+]1C	ZINC000943668123	899157574	/nfs/dbraw/zinc/15/75/74/899157574.db2.gz	QBUWABVVLCAFDK-NBOOPKSLSA-N	1	0	371.485	1.774	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)OC)C[C@H]1C	ZINC001107002690	899160214	/nfs/dbraw/zinc/16/02/14/899160214.db2.gz	MJTOYOGTQATKIN-RLLQIKCJSA-N	1	0	358.482	1.578	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)CC2)CC[N@@H+]1C	ZINC000943680576	899177526	/nfs/dbraw/zinc/17/75/26/899177526.db2.gz	LYAGWISZKUHBPE-IXYNUQLISA-N	1	0	357.458	1.384	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1	ZINC000763755915	899531839	/nfs/dbraw/zinc/53/18/39/899531839.db2.gz	GEDFKOPWQGOVPE-SFHVURJKSA-N	1	0	355.486	1.648	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccc[nH]2)C[C@H]1C	ZINC001107011483	899531964	/nfs/dbraw/zinc/53/19/64/899531964.db2.gz	CWYRPRXUUNEPKY-IAGOWNOFSA-N	1	0	358.486	1.442	20	30		FDEDRO
C=CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1)c1ccccc1	ZINC001107012388	899537950	/nfs/dbraw/zinc/53/79/50/899537950.db2.gz	QDIYTYUXSAPGDN-KBAYOESNSA-N	1	0	368.485	1.754	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C3CC3)cc2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001107013889	899543233	/nfs/dbraw/zinc/54/32/33/899543233.db2.gz	HPLWPUPFHVXMMF-RDTXWAMCSA-N	1	0	354.454	1.501	20	30		FDEDRO
C=C[C@H](CC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1)c1ccccc1	ZINC001107019256	899562888	/nfs/dbraw/zinc/56/28/88/899562888.db2.gz	YXDVXBCIYSZURK-JFIYKMOQSA-N	1	0	368.485	1.754	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(C)s2)C[C@H]1C	ZINC001107030527	899644394	/nfs/dbraw/zinc/64/43/94/899644394.db2.gz	KCOAJLVSISZPSN-VNQPRFMTSA-N	1	0	363.527	1.974	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC000943974044	899662181	/nfs/dbraw/zinc/66/21/81/899662181.db2.gz	OJONASHMCWDGIG-IXDOHACOSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1	ZINC000415650791	899903167	/nfs/dbraw/zinc/90/31/67/899903167.db2.gz	QIXVXECEYBVXBQ-WFASDCNBSA-N	1	0	359.430	1.319	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c3ccc(C)cc32)C[C@H]1C	ZINC001107046008	900098359	/nfs/dbraw/zinc/09/83/59/900098359.db2.gz	PJNUIOZZUJBOPO-HZPDHXFCSA-N	1	0	366.465	1.523	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(CCOC)CCCC2)C[C@H]1C	ZINC001107058474	900283067	/nfs/dbraw/zinc/28/30/67/900283067.db2.gz	KTZIRCQGBNHSKT-IAGOWNOFSA-N	1	0	365.518	1.570	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000944618186	900380738	/nfs/dbraw/zinc/38/07/38/900380738.db2.gz	ITWPWXHYAZWNMM-HRCADAONSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000944615251	900433290	/nfs/dbraw/zinc/43/32/90/900433290.db2.gz	HEIMZXLANQCNMB-VHDGCEQUSA-N	1	0	371.909	1.449	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)Cc2ccccc2)[C@H](C)C1	ZINC001107063125	900448102	/nfs/dbraw/zinc/44/81/02/900448102.db2.gz	CHKFUENUFRBJPU-MISYRCLQSA-N	1	0	360.498	1.867	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cc3n(n2)CCCC3)[C@H](C)C1	ZINC001107063513	900449262	/nfs/dbraw/zinc/44/92/62/900449262.db2.gz	QXRDZLVVZNMHDI-IXDOHACOSA-N	1	0	360.502	1.995	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)[C@H](C)C1	ZINC001107063286	900449312	/nfs/dbraw/zinc/44/93/12/900449312.db2.gz	JGAVKGKMIBJWLT-QLFBSQMISA-N	1	0	363.506	1.877	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCn2ccnc2)C[C@H]1C	ZINC001107076484	900536571	/nfs/dbraw/zinc/53/65/71/900536571.db2.gz	XPWZYENXGRJPMD-BRWVUGGUSA-N	1	0	361.490	1.038	20	30		FDEDRO
CC(C)C[C@@H](C(N)=O)C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1	ZINC001107094977	900839506	/nfs/dbraw/zinc/83/95/06/900839506.db2.gz	XGINURXOMOMGTA-LZQZEXGQSA-N	1	0	370.497	1.890	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3c2CCCC3)C[C@H]1C	ZINC001107098861	900961726	/nfs/dbraw/zinc/96/17/26/900961726.db2.gz	LAAZMBZGHCCFNC-HZPDHXFCSA-N	1	0	371.481	1.614	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC3(CCN(c4ccnc(C#N)n4)C3)CC2)CC[N@@H+]1C	ZINC001063604280	901024463	/nfs/dbraw/zinc/02/44/63/901024463.db2.gz	PLPHIPLOBUJRSP-HZPDHXFCSA-N	1	0	368.485	1.507	20	30		FDEDRO
C#Cc1ccc(C(=O)NCC2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC2)cn1	ZINC001063834700	901156247	/nfs/dbraw/zinc/15/62/47/901156247.db2.gz	SZCHZASMFVSLTD-RHSMWYFYSA-N	1	0	354.454	1.172	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2cn[nH]c2)[C@@H](n2ccnn2)C1	ZINC001129315340	901295718	/nfs/dbraw/zinc/29/57/18/901295718.db2.gz	ARXSVSTXUBIJDQ-UAGQMJEPSA-N	1	0	357.462	1.330	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)[C@@H](O)C1	ZINC001083926535	901779752	/nfs/dbraw/zinc/77/97/52/901779752.db2.gz	BJYQNAFVMYXCFH-OJDYBEQGSA-N	1	0	354.372	1.945	20	30		FDEDRO
C[N@H+](CC(=O)N1CC[C@H]2CN(c3ccc(C#N)nc3)C[C@H]21)CC(C)(C)C	ZINC001090355986	901828363	/nfs/dbraw/zinc/82/83/63/901828363.db2.gz	RXOYACOJNQIETD-MAUKXSAKSA-N	1	0	355.486	1.968	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccnn2C)C1	ZINC001079131263	901942090	/nfs/dbraw/zinc/94/20/90/901942090.db2.gz	JMLFLWXCZNLCKG-RTBURBONSA-N	1	0	352.438	1.131	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2nc[nH]n2)C1	ZINC001079146172	901962118	/nfs/dbraw/zinc/96/21/18/901962118.db2.gz	WYPMXEDBTHRECZ-IAGOWNOFSA-N	1	0	355.442	1.458	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)CC[C@H]1c1ccc(F)cc1	ZINC001079150074	901981892	/nfs/dbraw/zinc/98/18/92/901981892.db2.gz	AEKSBLGJGQZZER-BPQIPLTHSA-N	1	0	359.445	1.812	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(OC)ncn2)CC[C@H]1c1ccc(F)cc1	ZINC001079152584	901988701	/nfs/dbraw/zinc/98/87/01/901988701.db2.gz	SKCLVCDCPUEKDV-FUHWJXTLSA-N	1	0	368.412	1.845	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2nn(C)cc2C)C1	ZINC001079134619	901997169	/nfs/dbraw/zinc/99/71/69/901997169.db2.gz	IQHUUJBWDPYSAG-RTBURBONSA-N	1	0	366.465	1.439	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@H](OC)C2)C1	ZINC000945987169	902024604	/nfs/dbraw/zinc/02/46/04/902024604.db2.gz	UXDBIBMDQWNITM-MWDXBVQZSA-N	1	0	363.502	1.415	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC[C@H]1c1ccc(F)cc1	ZINC001079159088	902080936	/nfs/dbraw/zinc/08/09/36/902080936.db2.gz	JKZPYWUBPAAUIW-KCITZHQASA-N	1	0	371.456	1.635	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]cn2)C[C@H]1c1cccc(F)c1	ZINC001079202441	902102905	/nfs/dbraw/zinc/10/29/05/902102905.db2.gz	XFDALXZRLKZORF-MDASCCDHSA-N	1	0	354.429	1.945	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(CC)n2)C[C@H]1c1cccc(F)c1	ZINC001079203971	902106585	/nfs/dbraw/zinc/10/65/85/902106585.db2.gz	ZTOLBKFOHMMZEI-FUHWJXTLSA-N	1	0	370.428	1.786	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2cnn(C)c2)C[C@H]1c1cccc(F)c1	ZINC001079204881	902107678	/nfs/dbraw/zinc/10/76/78/902107678.db2.gz	QSFACSXLDPRHEW-RYGJVYDSSA-N	1	0	368.456	1.955	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc(OC)nc2)C[C@H]1c1cccc(F)c1	ZINC001079205859	902109415	/nfs/dbraw/zinc/10/94/15/902109415.db2.gz	ISDBALMYIXUMLU-DLBZAZTESA-N	1	0	354.385	1.455	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn3cc[nH]c23)C[C@H]1c1cccc(F)c1	ZINC001079207226	902113930	/nfs/dbraw/zinc/11/39/30/902113930.db2.gz	UTWVXMCHJIQCHV-DLBZAZTESA-N	1	0	351.385	1.633	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1c1cccc(F)c1	ZINC001079210129	902119230	/nfs/dbraw/zinc/11/92/30/902119230.db2.gz	ZXNZCTXQHLJTLT-FUHWJXTLSA-N	1	0	370.428	1.693	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1c1cccc(F)c1	ZINC001079181441	902120459	/nfs/dbraw/zinc/12/04/59/902120459.db2.gz	PXCJMMULVYPUKL-ZNMIVQPWSA-N	1	0	367.808	1.571	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)CCC3)C[C@H]1c1cccc(F)c1	ZINC001079183776	902127101	/nfs/dbraw/zinc/12/71/01/902127101.db2.gz	TUNHAUAPFQOHAN-DLBZAZTESA-N	1	0	352.413	1.799	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC(=O)NC2)C[C@H]1c1cccc(F)c1	ZINC001079186440	902131908	/nfs/dbraw/zinc/13/19/08/902131908.db2.gz	LLNBNDOKCFRHMH-JCGIZDLHSA-N	1	0	359.445	1.812	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1c1cccc(F)c1	ZINC001079188877	902138669	/nfs/dbraw/zinc/13/86/69/902138669.db2.gz	WEQFUWQQNVQMJP-ZWQIFLOQSA-N	1	0	359.445	1.062	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2nc(C)no2)C[C@H]1c1cccc(F)c1	ZINC001079193630	902152723	/nfs/dbraw/zinc/15/27/23/902152723.db2.gz	MVJFVQZTWKWRQC-DLBZAZTESA-N	1	0	356.401	1.667	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3cnn(C)c3N)[C@@H]3COC[C@@H]32)CC1	ZINC001079238082	902180354	/nfs/dbraw/zinc/18/03/54/902180354.db2.gz	GYKYKWWXGXHHDY-JKSUJKDBSA-N	1	0	359.474	1.131	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)C3CCC(O)CC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079239150	902183594	/nfs/dbraw/zinc/18/35/94/902183594.db2.gz	FSCHQYHBMIACRS-WZOJCFFYSA-N	1	0	360.498	1.500	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cc(OC)ncn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079241805	902193577	/nfs/dbraw/zinc/19/35/77/902193577.db2.gz	CUJAOOZHGJZUDK-GOEBONIOSA-N	1	0	358.442	1.224	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cnn(C)c2)C[C@H]1c1cccc(F)c1	ZINC001079212099	902196085	/nfs/dbraw/zinc/19/60/85/902196085.db2.gz	JBFIAJOWKKLCFY-MDASCCDHSA-N	1	0	354.429	1.880	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cnn(C)c3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079221293	902221574	/nfs/dbraw/zinc/22/15/74/902221574.db2.gz	YIGZFIHJSCHDKD-ZWKOTPCHSA-N	1	0	356.470	1.305	20	30		FDEDRO
Cc1cccnc1C[NH+]1CCC2(CN(C(=O)[C@@H](C)C#N)[C@@H]3COC[C@@H]32)CC1	ZINC001079228349	902242774	/nfs/dbraw/zinc/24/27/74/902242774.db2.gz	IKQCVVILMKWVCA-JENIJYKNSA-N	1	0	368.481	1.989	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC2(CC[NH+](CCc3cnn(C)c3)CC2)[C@H]2COC[C@H]21	ZINC001079228548	902244351	/nfs/dbraw/zinc/24/43/51/902244351.db2.gz	PZMKUWBXGHINHQ-BPQIPLTHSA-N	1	0	371.485	1.062	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3ccnn3CCC)[C@@H]3COC[C@@H]32)CC1	ZINC001079244758	902249410	/nfs/dbraw/zinc/24/94/10/902249410.db2.gz	DDSSQXUSBQLBDN-PKOBYXMFSA-N	1	0	370.497	1.869	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3OCCO[C@H]3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079245767	902254993	/nfs/dbraw/zinc/25/49/93/902254993.db2.gz	GTZWKUJAFCUDJX-FJIDUMEYSA-N	1	0	364.486	1.306	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3cn[nH]c(=O)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079247080	902260353	/nfs/dbraw/zinc/26/03/53/902260353.db2.gz	KOUNZUKNFLIYIJ-JKSUJKDBSA-N	1	0	358.442	1.311	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc(C(C)(C)C)n[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079250197	902268292	/nfs/dbraw/zinc/26/82/92/902268292.db2.gz	QYPVGMJAEWXSEJ-DOTOQJQBSA-N	1	0	370.497	1.893	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ccn4ccnc4c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079251323	902272208	/nfs/dbraw/zinc/27/22/08/902272208.db2.gz	QLSHKQBVKVTQDY-ZWKOTPCHSA-N	1	0	364.449	1.521	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)CCc3ccnc(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079252746	902276339	/nfs/dbraw/zinc/27/63/39/902276339.db2.gz	RGCTZYCDEGPVKY-RBUKOAKNSA-N	1	0	368.481	1.290	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)[C@H](OC)C3CCC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079254283	902278403	/nfs/dbraw/zinc/27/84/03/902278403.db2.gz	VCOGWZYGGXZLEV-IPMKNSEASA-N	1	0	360.498	1.764	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)[C@@]3(F)CCOC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079257116	902288108	/nfs/dbraw/zinc/28/81/08/902288108.db2.gz	UUBHFCXFQPWBGR-FRQCXROJSA-N	1	0	350.434	1.078	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cnc(C)n3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079258307	902292381	/nfs/dbraw/zinc/29/23/81/902292381.db2.gz	YOSAKUFUEPVLNY-FUHWJXTLSA-N	1	0	356.470	1.305	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3ccn(C)c3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079258653	902293683	/nfs/dbraw/zinc/29/36/83/902293683.db2.gz	IVDQCRBRGRFAIT-RBUKOAKNSA-N	1	0	355.482	1.910	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)CCc3cnccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269036	902322365	/nfs/dbraw/zinc/32/23/65/902322365.db2.gz	BTFZXVVJBBANQX-RBUKOAKNSA-N	1	0	368.481	1.372	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)Cc3cnn(CC)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269249	902324162	/nfs/dbraw/zinc/32/41/62/902324162.db2.gz	OYGUEKADHMWGKZ-ZWKOTPCHSA-N	1	0	358.486	1.571	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)CC[C@H]3CCCOC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269432	902326041	/nfs/dbraw/zinc/32/60/41/902326041.db2.gz	XRLDJGJHLSKPGW-CEXWTWQISA-N	1	0	360.498	1.766	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cc(Cl)no3)[C@@H]3COC[C@@H]32)CC1	ZINC001079270402	902329994	/nfs/dbraw/zinc/32/99/94/902329994.db2.gz	QFRAPWAORWOSSH-UONOGXRCSA-N	1	0	363.845	1.904	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3cnn4cc[nH]c34)[C@@H]3COC[C@@H]32)CC1	ZINC001079270911	902331249	/nfs/dbraw/zinc/33/12/49/902331249.db2.gz	BHRCCYKRMXPSQY-DLBZAZTESA-N	1	0	369.469	1.792	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)CCc3c(C)noc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079272588	902335926	/nfs/dbraw/zinc/33/59/26/902335926.db2.gz	NVCISTPATIAWIY-RBUKOAKNSA-N	1	0	371.481	1.797	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)Cc3ccccc3F)[C@@H]3COC[C@@H]32)CC1	ZINC001079272653	902336252	/nfs/dbraw/zinc/33/62/52/902336252.db2.gz	RHFFQTHVULZZPS-PKOBYXMFSA-N	1	0	356.441	1.941	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc3nccn3c2)C[C@H]1c1ccccc1F	ZINC001079302752	902351828	/nfs/dbraw/zinc/35/18/28/902351828.db2.gz	IBJZVCPVUBHILZ-FUHWJXTLSA-N	1	0	363.396	1.699	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccn(CCOC)n2)C[C@H]1c1ccccc1F	ZINC001079302923	902353954	/nfs/dbraw/zinc/35/39/54/902353954.db2.gz	RPINQZWKKNSZTM-QFBILLFUSA-N	1	0	370.428	1.500	20	30		FDEDRO
COc1ccc(C[NH2+][C@H]2CN(C(=O)[C@]34C[C@H]3COC4)CC2(C)C)cc1C#N	ZINC000995843196	902392652	/nfs/dbraw/zinc/39/26/52/902392652.db2.gz	VLFLXHWERRKFFJ-MDKPJZGXSA-N	1	0	369.465	1.930	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc3n2CCC3)C[C@H]1c1ccccc1F	ZINC001079298932	902406425	/nfs/dbraw/zinc/40/64/25/902406425.db2.gz	OCNUMZIHBBUXNU-DOTOQJQBSA-N	1	0	352.413	1.799	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc3n2CCOC3)C[C@H]1c1ccccc1F	ZINC001079299148	902407539	/nfs/dbraw/zinc/40/75/39/902407539.db2.gz	ZOLSEDATXBNXOA-DOTOQJQBSA-N	1	0	368.412	1.383	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3nncn3C2)C[C@H]1c1ccccc1F	ZINC001079321763	902423056	/nfs/dbraw/zinc/42/30/56/902423056.db2.gz	BIXDJNYIICZVNG-UWWQBHOKSA-N	1	0	367.428	1.197	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2cn(C)nn2)C[C@H]1c1ccccc1F	ZINC001079323195	902427489	/nfs/dbraw/zinc/42/74/89/902427489.db2.gz	MEPRASHBFGNOTA-FUHWJXTLSA-N	1	0	355.417	1.104	20	30		FDEDRO
C[NH+](C)[C@H](C(=O)N1C[C@H]2CCN(Cc3ccc(C#N)s3)C[C@H]21)C1CC1	ZINC001084406171	914624214	/nfs/dbraw/zinc/62/42/14/914624214.db2.gz	IFIALCOVARDMDW-OLMNPRSZSA-N	1	0	358.511	1.993	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+][C@H]2CCNC2=O)C1	ZINC001079306437	902438787	/nfs/dbraw/zinc/43/87/87/902438787.db2.gz	RFYRQQRBEHTJCD-BHYGNILZSA-N	1	0	359.445	1.810	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)Cn3cc(C)cn3)C2)cc1C#N	ZINC001079467322	902642028	/nfs/dbraw/zinc/64/20/28/902642028.db2.gz	ANPLKIQQSGEPEG-CRAIPNDOSA-N	1	0	367.453	1.709	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1(C)C	ZINC000995959840	902791985	/nfs/dbraw/zinc/79/19/85/902791985.db2.gz	KTIRKVCCVMJECV-UPJWGTAASA-N	1	0	350.381	1.735	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3CCNC(=O)C3)C2)cc1C#N	ZINC001079558896	902798413	/nfs/dbraw/zinc/79/84/13/902798413.db2.gz	OTPKHELZWHLYTF-UKPHBRMFSA-N	1	0	370.453	1.030	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(C#N)c[nH]2)C3)C1	ZINC000996000859	902873463	/nfs/dbraw/zinc/87/34/63/902873463.db2.gz	FVRHKJNEAAFUSI-UTXMOHQDSA-N	1	0	355.442	1.090	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc3c[nH+]cn3c2)c1	ZINC000996005908	902883969	/nfs/dbraw/zinc/88/39/69/902883969.db2.gz	INVPEGDBKKZJMS-HFTRVMKXSA-N	1	0	374.404	1.710	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccn(C)c2)C3)CC1	ZINC000996066644	903011502	/nfs/dbraw/zinc/01/15/02/903011502.db2.gz	FWKLFTDJIAHECA-QYZOEREBSA-N	1	0	368.481	1.232	20	30		FDEDRO
CCN1C[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)CC1=O	ZINC001079798170	903359071	/nfs/dbraw/zinc/35/90/71/903359071.db2.gz	KHHIWMKPBKRULB-FHLIZLRMSA-N	1	0	354.454	1.363	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1	ZINC001079844013	903491233	/nfs/dbraw/zinc/49/12/33/903491233.db2.gz	VLEQHNBRNRWETJ-XYPHTWIQSA-N	1	0	355.910	1.819	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1CN(C(=O)C(C)(C)[N@H+](C)CC)C1	ZINC001079857423	903531835	/nfs/dbraw/zinc/53/18/35/903531835.db2.gz	PORHPXYBADHUMJ-SJORKVTESA-N	1	0	365.518	1.757	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cc2n(n1)CCO2	ZINC001079859353	903543278	/nfs/dbraw/zinc/54/32/78/903543278.db2.gz	SMQNMBYEAUEUNH-CXAGYDPISA-N	1	0	351.410	1.397	20	30		FDEDRO
CC1(C)CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC000996305894	903658431	/nfs/dbraw/zinc/65/84/31/903658431.db2.gz	SCWFRTYJZXVANG-YCPHGPKFSA-N	1	0	358.417	1.145	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cnc(C)cn3)CCC[C@@H]12	ZINC001107263930	904208730	/nfs/dbraw/zinc/20/87/30/904208730.db2.gz	PHCKAQSIRQUYRX-VQIMIIECSA-N	1	0	357.458	1.062	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cnn(C)c3C)CCC[C@@H]12	ZINC001107279112	904275707	/nfs/dbraw/zinc/27/57/07/904275707.db2.gz	LYDRNDRNNUSHAY-VQIMIIECSA-N	1	0	359.474	1.005	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3c(C)noc3C)CCC[C@@H]12	ZINC001107273828	904291934	/nfs/dbraw/zinc/29/19/34/904291934.db2.gz	CYNJMTZUFLYELX-DNVCBOLYSA-N	1	0	360.458	1.568	20	30		FDEDRO
CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CSCC#N)CCC[C@@H]12	ZINC001107289852	904310340	/nfs/dbraw/zinc/31/03/40/904310340.db2.gz	UMMMREKTBLBCEA-HDMKZQKVSA-N	1	0	366.531	1.519	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C)n3C)CCC[C@@H]12	ZINC001107281687	904314946	/nfs/dbraw/zinc/31/49/46/904314946.db2.gz	LGNFKESUMGNPCQ-YLJYHZDGSA-N	1	0	358.486	1.610	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC=C)CC2	ZINC001107317852	904441890	/nfs/dbraw/zinc/44/18/90/904441890.db2.gz	DIANRVFQLHNWBJ-SQGPQFPESA-N	1	0	363.502	1.631	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(C)C)CC2	ZINC001107318584	904443387	/nfs/dbraw/zinc/44/33/87/904443387.db2.gz	QRLQANKJPPQNDE-GPMSIDNRSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(C)CC1CC1)CC2	ZINC001107330705	904461057	/nfs/dbraw/zinc/46/10/57/904461057.db2.gz	KFAWPZLOKMDGBB-YLJYHZDGSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC(C)C)CC2	ZINC001107328869	904490967	/nfs/dbraw/zinc/49/09/67/904490967.db2.gz	BGDNCJPPNPIOAJ-VQIMIIECSA-N	1	0	351.491	1.322	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@@H+]([C@@H]1CCN(CC=C)C1=O)CC2	ZINC001107329270	904493042	/nfs/dbraw/zinc/49/30/42/904493042.db2.gz	OCWSTTXTOMIRQO-MBOZVWFJSA-N	1	0	361.486	1.337	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3oc(C)cc3C)CCC[C@@H]12	ZINC001107352820	904528982	/nfs/dbraw/zinc/52/89/82/904528982.db2.gz	PYOWOAZJYKDCDG-OXQOHEQNSA-N	1	0	357.454	1.620	20	30		FDEDRO
CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH]c(C#N)c3)CCC[C@@H]12	ZINC001107366843	904574488	/nfs/dbraw/zinc/57/44/88/904574488.db2.gz	VYYZCTAGPRQIQI-JNAXZKDPSA-N	1	0	371.485	1.775	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc[nH]c(=O)c3)CCC[C@@H]12	ZINC001107356892	904580988	/nfs/dbraw/zinc/58/09/88/904580988.db2.gz	PTCFFSOOISXEAJ-DNVCBOLYSA-N	1	0	358.442	1.064	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CC[C@H]3CCOC3)CCC[C@@H]12	ZINC001107359681	904584974	/nfs/dbraw/zinc/58/49/74/904584974.db2.gz	MPGRMHMLOALRTH-SQGPQFPESA-N	1	0	363.502	1.466	20	30		FDEDRO
C#CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H]1CCc3ncnn31)CC2	ZINC001107384036	904657995	/nfs/dbraw/zinc/65/79/95/904657995.db2.gz	MLHTUTADHLTNSY-MBOZVWFJSA-N	1	0	355.486	1.930	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCCc2ccccc2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC001081507378	904719734	/nfs/dbraw/zinc/71/97/34/904719734.db2.gz	SAJLFYOOTYPVNT-RTBURBONSA-N	1	0	352.438	1.948	20	30		FDEDRO
COc1cncc(C[N@@H+]2CC[C@@]3(CNC(=O)C#CC4CC4)CCC[C@@H]23)n1	ZINC001107400022	904730927	/nfs/dbraw/zinc/73/09/27/904730927.db2.gz	VXYNVLLASSXRTE-YLJYHZDGSA-N	1	0	354.454	1.759	20	30		FDEDRO
Cc1nc(C)n(CC[N@@H+]2CC[C@@]3(CNC(=O)C#CC4CC4)CCC[C@@H]23)n1	ZINC001107400073	904731096	/nfs/dbraw/zinc/73/10/96/904731096.db2.gz	YRVYVNFBPVCBML-UYAOXDASSA-N	1	0	355.486	1.669	20	30		FDEDRO
C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cc(C)ncn1)CC2	ZINC001107404667	904747034	/nfs/dbraw/zinc/74/70/34/904747034.db2.gz	HZJNIGUGNLBMMU-UYAOXDASSA-N	1	0	356.470	1.686	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N[C@@H](C(=O)OC)c1ccc(Br)cc1	ZINC000764464814	904775740	/nfs/dbraw/zinc/77/57/40/904775740.db2.gz	RRXWOLAQXYLWLY-CYBMUJFWSA-N	1	0	355.232	1.897	20	30		FDEDRO
C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCO[C@@H]1CC1(F)F)CC2	ZINC001107401523	904780780	/nfs/dbraw/zinc/78/07/80/904780780.db2.gz	RUBRDROHQKPQMK-JFIYKMOQSA-N	1	0	370.440	1.811	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)NC(=O)c3ccoc3)CCC[C@@H]12	ZINC001107417792	904790097	/nfs/dbraw/zinc/79/00/97/904790097.db2.gz	QDGYQCKYQNCEPL-WRWLIDTKSA-N	1	0	357.454	1.782	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)NCC(=O)Nc1ccc(Br)c(C)c1	ZINC000764478452	904805869	/nfs/dbraw/zinc/80/58/69/904805869.db2.gz	ZNYQEVIUCDEUIG-UHFFFAOYSA-N	1	0	354.248	1.930	20	30		FDEDRO
N#Cc1ccccc1C[N@@H+]1CC[C@@]2(CNC(=O)Cn3ncnn3)CCC[C@@H]12	ZINC001107411931	904808835	/nfs/dbraw/zinc/80/88/35/904808835.db2.gz	HWFAPDVYRUAIMV-IEBWSBKVSA-N	1	0	365.441	1.106	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3(C)CC3)CCC[C@@H]12	ZINC001107414680	904823477	/nfs/dbraw/zinc/82/34/77/904823477.db2.gz	QCRSRTQJKBPHPM-OXQOHEQNSA-N	1	0	360.502	1.909	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001080158527	904825507	/nfs/dbraw/zinc/82/55/07/904825507.db2.gz	PTPWHWHCSOLRLV-XVCYEZIBSA-N	1	0	351.450	1.918	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)N3C(=O)CCC3=O)CCC[C@@H]12	ZINC001107429355	904866813	/nfs/dbraw/zinc/86/68/13/904866813.db2.gz	HAMPBOLFVYKXHJ-JXXFODFXSA-N	1	0	361.486	1.851	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cc(OC)ccc2OC)[C@H](OC)C1	ZINC001081659947	904897668	/nfs/dbraw/zinc/89/76/68/904897668.db2.gz	ODMMZZWTJVUMKZ-ZCDKGFTFSA-N	1	0	372.465	1.646	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)[C@H](OC)C1	ZINC001081722164	904956632	/nfs/dbraw/zinc/95/66/32/904956632.db2.gz	HOCYNJFQSHXWTA-RCCFBDPRSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)Cn3nnc(-c4ccco4)n3)CCC[C@@H]12	ZINC001107458720	904977946	/nfs/dbraw/zinc/97/79/46/904977946.db2.gz	IPJOGGLZQAAVCE-CRAIPNDOSA-N	1	0	356.430	1.480	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCn4cncc4C3)CCC[C@@H]12	ZINC001107455037	905015849	/nfs/dbraw/zinc/01/58/49/905015849.db2.gz	VJKLYVPFFXILFC-YFVAEKQCSA-N	1	0	370.497	1.456	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ncc(OC)cn3)CCC[C@@H]12	ZINC001107466327	905039344	/nfs/dbraw/zinc/03/93/44/905039344.db2.gz	DHQWCPHKCCISEP-VQIMIIECSA-N	1	0	358.442	1.109	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@]34CCC[C@H]3OCC4)CCC[C@@H]12	ZINC001107467631	905048241	/nfs/dbraw/zinc/04/82/41/905048241.db2.gz	RCZBDRJGOQDCEJ-DGQTTZFYSA-N	1	0	373.497	1.056	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1OC	ZINC001081766783	905051759	/nfs/dbraw/zinc/05/17/59/905051759.db2.gz	CYSUNPIVBSFCHK-NJDAHSKKSA-N	1	0	369.509	1.728	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cncc(CC)c3)CCC[C@@H]12	ZINC001107470196	905089741	/nfs/dbraw/zinc/08/97/41/905089741.db2.gz	FEVSPNCAKXQGFD-WIYYLYMNSA-N	1	0	370.497	1.921	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1OC	ZINC001081811312	905135539	/nfs/dbraw/zinc/13/55/39/905135539.db2.gz	RQPDJCIYYCDIQJ-FGTMMUONSA-N	1	0	361.511	1.204	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)Cn3nc4ccccn4c3=O)CCC[C@@H]12	ZINC001107494646	905194364	/nfs/dbraw/zinc/19/43/64/905194364.db2.gz	SIRVLWCONPFZSA-DNVCBOLYSA-N	1	0	355.442	1.043	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C4CC4)on3)CCC[C@@H]12	ZINC001107488520	905210515	/nfs/dbraw/zinc/21/05/15/905210515.db2.gz	LSLVKLDMPVHYAH-VQIMIIECSA-N	1	0	371.441	1.166	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cn(C)c(=O)[nH]3)C2)cc1C#N	ZINC001080387160	905301195	/nfs/dbraw/zinc/30/11/95/905301195.db2.gz	ONDUHONFHUASLB-IUODEOHRSA-N	1	0	369.425	1.256	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2csc(NC(C)=O)n2)[C@H](OC)C1	ZINC001081889656	905323172	/nfs/dbraw/zinc/32/31/72/905323172.db2.gz	IKROAOGSCHELRO-TZMCWYRMSA-N	1	0	352.460	1.497	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)c3cncnc3)CCC[C@@H]12	ZINC001107519765	905338770	/nfs/dbraw/zinc/33/87/70/905338770.db2.gz	RRDDYWOHIXEZSH-WRWLIDTKSA-N	1	0	371.485	1.243	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2	ZINC001081895131	905341630	/nfs/dbraw/zinc/34/16/30/905341630.db2.gz	UOOSZVHHYSDPQE-RTBURBONSA-N	1	0	368.481	1.502	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCc4nn[nH]c43)CCC[C@@H]12	ZINC001107521164	905347436	/nfs/dbraw/zinc/34/74/36/905347436.db2.gz	PLWZEWFYRGARFX-XAUMDUMWSA-N	1	0	371.485	1.235	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3CCC(=C)CC3)CCC[C@@H]12	ZINC001107532319	905397996	/nfs/dbraw/zinc/39/79/96/905397996.db2.gz	PJCHABAMBSZYPE-WIYYLYMNSA-N	1	0	357.498	1.843	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NC(C)C)CC3)c1	ZINC001107537960	905434231	/nfs/dbraw/zinc/43/42/31/905434231.db2.gz	DQIYCYVTCSYQAG-WIYYLYMNSA-N	1	0	368.481	1.562	20	30		FDEDRO
C#CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3C[C@H]3c3cncn3C)CC2)CC1	ZINC000996788994	905526992	/nfs/dbraw/zinc/52/69/92/905526992.db2.gz	IYDBGATUYNUTDX-CSODTCANSA-N	1	0	369.513	1.202	20	30		FDEDRO
C[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2)c1ccco1	ZINC001107547369	905531386	/nfs/dbraw/zinc/53/13/86/905531386.db2.gz	KVGLNZXFKNDLGM-IDHHARJASA-N	1	0	358.442	1.384	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)NS(C)(=O)=O)CCC[C@@H]12	ZINC001107559050	905613432	/nfs/dbraw/zinc/61/34/32/905613432.db2.gz	WXVABYCHDJSZLZ-ZMSDIMECSA-N	1	0	357.520	1.251	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCCCOC)CC3)nn1	ZINC001107570704	905692918	/nfs/dbraw/zinc/69/29/18/905692918.db2.gz	CYEFGIZWRPQZBE-IEBWSBKVSA-N	1	0	361.490	1.865	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3ncccn3)CCC[C@@H]12	ZINC001107586359	905834201	/nfs/dbraw/zinc/83/42/01/905834201.db2.gz	RWRRSDRBGLLGOF-OXQOHEQNSA-N	1	0	371.485	1.072	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@H](C)c3ccco3)CCC[C@@H]12	ZINC001107610010	905967872	/nfs/dbraw/zinc/96/78/72/905967872.db2.gz	MEZVCFTZZCPFKU-YRISNDGFSA-N	1	0	371.481	1.883	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC=C)CC3)cn1	ZINC001107610023	905968100	/nfs/dbraw/zinc/96/81/00/905968100.db2.gz	NECJZBBKSFYPBT-WIYYLYMNSA-N	1	0	366.465	1.340	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)Cc3nc4ncccn4n3)CCC[C@@H]12	ZINC001107631805	906079558	/nfs/dbraw/zinc/07/95/58/906079558.db2.gz	GKEUQVYMCQDOLM-DNVCBOLYSA-N	1	0	354.458	1.604	20	30		FDEDRO
C=CCn1c(-c2cnccn2)nn(CN2CC[C@@H](C[NH+](C)C)C2)c1=S	ZINC000765009084	906218844	/nfs/dbraw/zinc/21/88/44/906218844.db2.gz	ALYITULOFJRCMO-AWEZNQCLSA-N	1	0	359.503	1.898	20	30		FDEDRO
C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001080781123	906250777	/nfs/dbraw/zinc/25/07/77/906250777.db2.gz	OQTWKHCAVDOOFC-SIXWZSSISA-N	1	0	358.461	1.976	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC34CCOCC4)CCC[C@@H]12	ZINC001107656403	906298165	/nfs/dbraw/zinc/29/81/65/906298165.db2.gz	PJCPSQMBSJXREH-WAOWUJCRSA-N	1	0	360.498	1.814	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1CCCC(=O)N1C	ZINC001080869688	906525342	/nfs/dbraw/zinc/52/53/42/906525342.db2.gz	UWUONWXRAJODMD-OLMNPRSZSA-N	1	0	354.454	1.506	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCN(c2cccc(CNC(=O)[C@H]3OCC[C@H]3C)n2)C1	ZINC001127845631	906713074	/nfs/dbraw/zinc/71/30/74/906713074.db2.gz	KCAYCEDINLPBPR-SUMDDJOVSA-N	1	0	356.470	1.314	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1cccc(N2CC[C@@H]([NH2+]CC#CC)C2)n1	ZINC001127845965	906719986	/nfs/dbraw/zinc/71/99/86/906719986.db2.gz	NGKXSWGWBCOECT-QRVBRYPASA-N	1	0	368.481	1.481	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN2C[C@@H](C)[C@H](NC(=O)C[NH+]3CCCC3)C2)c1	ZINC001080943091	906763917	/nfs/dbraw/zinc/76/39/17/906763917.db2.gz	OVOYZYGCTFOPFP-VQIMIIECSA-N	1	0	368.481	1.139	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCN(c2cccc(CNC(=O)[C@@H]3C[C@H]3C3CC3)n2)C1	ZINC001127851718	906881631	/nfs/dbraw/zinc/88/16/31/906881631.db2.gz	DZDLYKAILBHDJM-CEXWTWQISA-N	1	0	352.482	1.936	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1	ZINC000997004533	906893500	/nfs/dbraw/zinc/89/35/00/906893500.db2.gz	BGJHJCRBJGBUGX-CVEARBPZSA-N	1	0	360.483	1.425	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+][C@@H]2CCN(C(C)(C)C)C2=O)CC1	ZINC000997011234	906923220	/nfs/dbraw/zinc/92/32/20/906923220.db2.gz	KLPJDBLCWIOHQT-ZACQAIPSSA-N	1	0	363.502	1.558	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1CCC(=O)N(C)C1	ZINC001081005600	906926113	/nfs/dbraw/zinc/92/61/13/906926113.db2.gz	QDNVASNCCLMOLA-FHLIZLRMSA-N	1	0	354.454	1.363	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1OC	ZINC001082345412	906936543	/nfs/dbraw/zinc/93/65/43/906936543.db2.gz	IYJIWAMYDQCTPN-PWIZWCRZSA-N	1	0	356.466	1.452	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2C)cc1	ZINC001081011244	906943020	/nfs/dbraw/zinc/94/30/20/906943020.db2.gz	PACFQWLTCLPJDZ-VQIMIIECSA-N	1	0	369.469	1.522	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1CCc2nncn2C1	ZINC001080991660	906960502	/nfs/dbraw/zinc/96/05/02/906960502.db2.gz	ZZDKBDBNDUTFKJ-ZTFGCOKTSA-N	1	0	364.453	1.349	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3noc(C4CC4)n3)C[C@H]2C)CC1	ZINC001080992612	906962219	/nfs/dbraw/zinc/96/22/19/906962219.db2.gz	RTEMKKAJOKEZBW-RHSMWYFYSA-N	1	0	371.485	1.229	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3nccn3CC)C[C@H]2C)CC1	ZINC001080998209	906975659	/nfs/dbraw/zinc/97/56/59/906975659.db2.gz	WBAFCDIOBGOCLS-SJLPKXTDSA-N	1	0	357.502	1.185	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)CC1CCN(C(=O)CC[NH+](C)C)CC1	ZINC001081120281	907175728	/nfs/dbraw/zinc/17/57/28/907175728.db2.gz	HYOJWELOSIIKNE-MSOLQXFVSA-N	1	0	365.518	1.616	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccnc(OC)n2)CC1	ZINC000997079670	907196651	/nfs/dbraw/zinc/19/66/51/907196651.db2.gz	JRXMXCMWYQJONE-IRXDYDNUSA-N	1	0	360.458	1.547	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([NH2+]CCN2CCCC2=O)CC1	ZINC000997080562	907200922	/nfs/dbraw/zinc/20/09/22/907200922.db2.gz	RZPGXNNMPDZGPX-HKUYNNGSSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnc3n2CCOC3)C[C@H]1c1ccccc1	ZINC001081128420	907228278	/nfs/dbraw/zinc/22/82/78/907228278.db2.gz	ZWBJXMHMZXFLGF-DLBZAZTESA-N	1	0	352.438	1.797	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)nc[nH]c3=O)[C@H](OC)C1	ZINC001082372300	907234553	/nfs/dbraw/zinc/23/45/53/907234553.db2.gz	BGRLKXMZQLDIQC-IAGOWNOFSA-N	1	0	356.426	1.731	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)cn2C)C[C@H]1c1ccccc1	ZINC001081141678	907251140	/nfs/dbraw/zinc/25/11/40/907251140.db2.gz	YNUCLANJOPUCPG-DLBZAZTESA-N	1	0	352.438	1.508	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](c2cccnc2)N(C)C)C[C@H]1c1ccccc1	ZINC001081232039	907431076	/nfs/dbraw/zinc/43/10/76/907431076.db2.gz	VZKNKGPREGJBON-HBMCJLEFSA-N	1	0	362.477	1.902	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)ccn2)C[C@H]1c1ccccc1	ZINC001081238904	907441920	/nfs/dbraw/zinc/44/19/20/907441920.db2.gz	WFVDLOMJXDLNGR-PKOBYXMFSA-N	1	0	364.449	1.954	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2cccn2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082427784	907673533	/nfs/dbraw/zinc/67/35/33/907673533.db2.gz	HLFLPQVSJOUVDW-RDTXWAMCSA-N	1	0	355.417	1.921	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)n3cccn3)C[C@H]2C)cc1C#N	ZINC001082433126	907702225	/nfs/dbraw/zinc/70/22/25/907702225.db2.gz	LXYJMTKMBLRYFL-RVKKMQEKSA-N	1	0	367.453	1.961	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc3c(c2)CCC(=O)N3C)C1	ZINC001082450921	907730338	/nfs/dbraw/zinc/73/03/38/907730338.db2.gz	LEQKDEWCKHNHFW-JJRVBVJISA-N	1	0	354.454	1.692	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082452829	907743138	/nfs/dbraw/zinc/74/31/38/907743138.db2.gz	HIPMIVDEPUTGSU-CZUORRHYSA-N	1	0	366.425	1.211	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)CC1	ZINC000997150360	907748338	/nfs/dbraw/zinc/74/83/38/907748338.db2.gz	XKGNGQAFRLRQAQ-LZQZEXGQSA-N	1	0	358.486	1.738	20	30		FDEDRO
Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)nn1C	ZINC001082438509	907764319	/nfs/dbraw/zinc/76/43/19/907764319.db2.gz	GFEQMFSNQASDAJ-KZULUSFZSA-N	1	0	355.417	1.990	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCOC2)C[C@H]1C	ZINC001082455983	907854120	/nfs/dbraw/zinc/85/41/20/907854120.db2.gz	KYHCLHPECMVFCP-UWWQBHOKSA-N	1	0	357.454	1.930	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1[NH2+]CC(=O)N1CCC(C)CC1	ZINC001082464189	907896190	/nfs/dbraw/zinc/89/61/90/907896190.db2.gz	FMWRHRXITWCFKR-RHSMWYFYSA-N	1	0	357.458	1.195	20	30		FDEDRO
CO[C@@H](C)c1noc(CN[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)n1	ZINC001082464361	907898089	/nfs/dbraw/zinc/89/80/89/907898089.db2.gz	LMVIXWMXZAVXHM-UHIISALHSA-N	1	0	358.402	1.227	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1[NH2+]CC(=O)N1CCCCCC1	ZINC001082483702	907906503	/nfs/dbraw/zinc/90/65/03/907906503.db2.gz	BYNFHMBXAYGZCN-RHSMWYFYSA-N	1	0	357.458	1.339	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1[NH2+][C@@H]1CCN(C(C)(C)C)C1=O	ZINC001082483773	907907866	/nfs/dbraw/zinc/90/78/66/907907866.db2.gz	ILPXIOUGUNVFJI-DAXOMENPSA-N	1	0	357.458	1.336	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082472689	907923273	/nfs/dbraw/zinc/92/32/73/907923273.db2.gz	XVPSKHRZMWHELW-SUYBPPKGSA-N	1	0	358.417	1.160	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C)C(=O)N1CCC(C)CC1	ZINC001082480444	907950338	/nfs/dbraw/zinc/95/03/38/907950338.db2.gz	PZYHQSVTRDSWGI-RVKKMQEKSA-N	1	0	371.485	1.583	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082489279	907992245	/nfs/dbraw/zinc/99/22/45/907992245.db2.gz	SYJHNGONNQYJQK-CXAGYDPISA-N	1	0	356.405	1.316	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3nccc(C)n3)C[C@H]2C)cc1C#N	ZINC001082495245	908027738	/nfs/dbraw/zinc/02/77/38/908027738.db2.gz	XVSVDKNNLSEIPB-CXAGYDPISA-N	1	0	365.437	1.916	20	30		FDEDRO
CCn1ncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(C#N)ccc3F)C2)n1	ZINC001082500691	908089355	/nfs/dbraw/zinc/08/93/55/908089355.db2.gz	LRWVPJVLHUAVOK-SJKOYZFVSA-N	1	0	356.405	1.559	20	30		FDEDRO
C[C@@H]1CN(C(=O)CO[C@H]2CCOC2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082508035	908151813	/nfs/dbraw/zinc/15/18/13/908151813.db2.gz	NLQMMTMXCPIGKQ-RPVQJOFSSA-N	1	0	361.417	1.439	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C(N)=O)c2)C1	ZINC001082518927	908206963	/nfs/dbraw/zinc/20/69/63/908206963.db2.gz	KLLFVLAXLRJLNU-AXUOBQJMSA-N	1	0	371.481	1.703	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cc(Cl)cn2)C1	ZINC001082519397	908210060	/nfs/dbraw/zinc/21/00/60/908210060.db2.gz	JMRJDRKCDPRSHW-DZUCGIPZSA-N	1	0	366.893	1.954	20	30		FDEDRO
C[C@H](C#N)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2	ZINC000997352590	908300706	/nfs/dbraw/zinc/30/07/06/908300706.db2.gz	USAKWLGWBOVBTM-ZSGPHXLJSA-N	1	0	354.454	1.770	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCC(F)(F)C3)C[C@H]2O)nn1	ZINC001077801477	908305343	/nfs/dbraw/zinc/30/53/43/908305343.db2.gz	SZVBSGDYNCIGPO-UMVBOHGHSA-N	1	0	369.416	1.065	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CC2CCC2)CC1	ZINC000997356409	908310877	/nfs/dbraw/zinc/31/08/77/908310877.db2.gz	DXIHDEIOIDMZDL-QYZOEREBSA-N	1	0	357.498	1.770	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2ccncn2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082538199	908348140	/nfs/dbraw/zinc/34/81/40/908348140.db2.gz	LCSIYEPPTYXPRY-CXAGYDPISA-N	1	0	355.467	1.979	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cnn3c2CCC3)C[C@H]1C	ZINC001082545724	908450150	/nfs/dbraw/zinc/45/01/50/908450150.db2.gz	YDCZWPZVCDFBBG-ZWNOBZJWSA-N	1	0	353.264	1.788	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3[nH]ccc3C3CC3)C[C@H]2C)C1=O	ZINC001082552226	908517782	/nfs/dbraw/zinc/51/77/82/908517782.db2.gz	IIWZCSQBGKZJPW-KBRIMQKVSA-N	1	0	356.470	1.729	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)NC2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082555188	908552321	/nfs/dbraw/zinc/55/23/21/908552321.db2.gz	VVIRECQOSKRQNA-FHLIZLRMSA-N	1	0	354.454	1.411	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[C@H]3CCNC3=O)C[C@H]2C)cc1C#N	ZINC001082556094	908577395	/nfs/dbraw/zinc/57/73/95/908577395.db2.gz	BSOVAXBCUHWFKL-FRFSOERESA-N	1	0	370.453	1.030	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082590408	908846598	/nfs/dbraw/zinc/84/65/98/908846598.db2.gz	VFKQWHUIAOGRJQ-TWKYDXJASA-N	1	0	374.460	1.353	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCc3nccn3C2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082603144	908912505	/nfs/dbraw/zinc/91/25/05/908912505.db2.gz	LXNRGSAUSWPAEB-ATZDWAIDSA-N	1	0	363.465	1.954	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3nccn3C2)C[C@H]1C	ZINC001082603292	908913862	/nfs/dbraw/zinc/91/38/62/908913862.db2.gz	SXERORRXHKSHPH-MRVWCRGKSA-N	1	0	367.291	1.791	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCC3)C2)cc1	ZINC001082599979	908960643	/nfs/dbraw/zinc/96/06/43/908960643.db2.gz	URWSRKMRVPVIOQ-CRAIPNDOSA-N	1	0	357.454	1.534	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc3ncnn32)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082622227	909135355	/nfs/dbraw/zinc/13/53/55/909135355.db2.gz	FWEREKVZQGENOU-RHSMWYFYSA-N	1	0	360.421	1.851	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCCC(=O)N2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082632528	909187505	/nfs/dbraw/zinc/18/75/05/909187505.db2.gz	ZXUDGASLGIBCBC-DVOMOZLQSA-N	1	0	360.483	1.615	20	30		FDEDRO
COc1cnc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)s3)C2)nc1	ZINC001082633700	909198775	/nfs/dbraw/zinc/19/87/75/909198775.db2.gz	GLZLPSYHXCGQCX-IAQYHMDHSA-N	1	0	357.439	1.669	20	30		FDEDRO
COc1cnc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(C#N)ccc3F)C2)nc1	ZINC001082633924	909201594	/nfs/dbraw/zinc/20/15/94/909201594.db2.gz	VWZJXDVZRNNVQE-SJKOYZFVSA-N	1	0	369.400	1.746	20	30		FDEDRO
COc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3F)C2)nn1C	ZINC001082634154	909203085	/nfs/dbraw/zinc/20/30/85/909203085.db2.gz	KLMNAFJAINFFJI-SJKOYZFVSA-N	1	0	371.416	1.690	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2ccnc3n[nH]nc32)C[C@H]1C	ZINC001082635038	909222466	/nfs/dbraw/zinc/22/24/66/909222466.db2.gz	WLVJYWHKNFRWOQ-LDYMZIIASA-N	1	0	365.235	1.312	20	30		FDEDRO
COc1nccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)n1	ZINC001082636879	909239084	/nfs/dbraw/zinc/23/90/84/909239084.db2.gz	XVYCFZYQJFTBNM-CXAGYDPISA-N	1	0	351.410	1.607	20	30		FDEDRO
Cc1cc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(C#N)ccc3F)C2)n(C)n1	ZINC001082641479	909274552	/nfs/dbraw/zinc/27/45/52/909274552.db2.gz	QVFCZTDMYRLCJM-BFUOFWGJSA-N	1	0	369.444	1.919	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3c(C)cncc3C)C[C@H]2C)C1=O	ZINC001082642106	909278659	/nfs/dbraw/zinc/27/86/59/909278659.db2.gz	JGRJAVGEMFHTOL-BRWVUGGUSA-N	1	0	356.470	1.535	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cncnc2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082644060	909289803	/nfs/dbraw/zinc/28/98/03/909289803.db2.gz	KOMCNAXPLGALKL-CXAGYDPISA-N	1	0	355.467	1.979	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)NC(=O)NCC)C2	ZINC001112539748	909435206	/nfs/dbraw/zinc/43/52/06/909435206.db2.gz	PPVHIULBEFIZRU-KXBFYZLASA-N	1	0	350.507	1.879	20	30		FDEDRO
COc1nn(C)cc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1	ZINC001082681330	909596187	/nfs/dbraw/zinc/59/61/87/909596187.db2.gz	LCQRBERCLJNERK-SJKOYZFVSA-N	1	0	371.416	1.690	20	30		FDEDRO
COc1nn(C)cc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1	ZINC001082681492	909597690	/nfs/dbraw/zinc/59/76/90/909597690.db2.gz	WDZZLQQSTMALCX-SJKOYZFVSA-N	1	0	371.416	1.690	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCC(C)CC3)C2)c1	ZINC001082729990	909863241	/nfs/dbraw/zinc/86/32/41/909863241.db2.gz	UAHTUKWOALYLEN-VQIMIIECSA-N	1	0	368.481	1.372	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3conc3C3CC3)C[C@H]2C)C1=O	ZINC001082734041	909896281	/nfs/dbraw/zinc/89/62/81/909896281.db2.gz	KDDQDUGEILUUIL-UHOFOFEASA-N	1	0	358.442	1.389	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3conc3C3CC3)C[C@H]2C)C1=O	ZINC001082734040	909896786	/nfs/dbraw/zinc/89/67/86/909896786.db2.gz	KDDQDUGEILUUIL-DAXOMENPSA-N	1	0	358.442	1.389	20	30		FDEDRO
Cc1ccn(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(C#N)ccc3F)C2)n1	ZINC001082749119	909903061	/nfs/dbraw/zinc/90/30/61/909903061.db2.gz	CVPVLSLAEAOGFN-FZKQIMNGSA-N	1	0	355.417	1.839	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1C	ZINC001082737614	909913766	/nfs/dbraw/zinc/91/37/66/909913766.db2.gz	GNMZTWVHPFZYHB-AUJRIZCKSA-N	1	0	370.453	1.030	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082738552	909919826	/nfs/dbraw/zinc/91/98/26/909919826.db2.gz	SUHJPBJPPHYRFO-FXHACXQTSA-N	1	0	358.417	1.160	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccn(C(C)C)n3)C[C@H]2C)C1=O	ZINC001082776329	910108278	/nfs/dbraw/zinc/10/82/78/910108278.db2.gz	VHCREQWXOVUYEE-BFYDXBDKSA-N	1	0	359.474	1.301	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C2(N3CCOCC3)CCCC2)C[C@H]1C	ZINC001082776524	910110336	/nfs/dbraw/zinc/11/03/36/910110336.db2.gz	GHGCDFXIBMQZKI-GDBMZVCRSA-N	1	0	355.910	1.820	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=C)Br)C2)nn1	ZINC001082792462	910196904	/nfs/dbraw/zinc/19/69/04/910196904.db2.gz	YBXNMAOIAFQMES-ZYHUDNBSSA-N	1	0	354.252	1.423	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1	ZINC001082798967	910218285	/nfs/dbraw/zinc/21/82/85/910218285.db2.gz	VHJSHWORRDLWPH-XZKMEQPCSA-N	1	0	359.470	1.303	20	30		FDEDRO
C[C@@H]1CN(C(=O)COc2cccnc2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082809477	910272694	/nfs/dbraw/zinc/27/26/94/910272694.db2.gz	WRWZMGNIXJRWEE-DNVCBOLYSA-N	1	0	350.422	1.969	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ncccn3)C[C@H]2C)cc1C#N	ZINC001082817981	910298361	/nfs/dbraw/zinc/29/83/61/910298361.db2.gz	NDWYRZHNNNOJOC-CZUORRHYSA-N	1	0	351.410	1.607	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+][C@H](C)c2nnc(CC)[nH]2)CC1	ZINC000998095747	910336882	/nfs/dbraw/zinc/33/68/82/910336882.db2.gz	WDVQHVVUZMEJTR-BMFZPTHFSA-N	1	0	361.490	1.847	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccc(C(N)=O)cc2)CC1	ZINC000998095862	910337356	/nfs/dbraw/zinc/33/73/56/910337356.db2.gz	WYWQTBJRWDUVOA-MOPGFXCFSA-N	1	0	371.481	1.705	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cn(C[C@H]3CCOC3)nn2)C[C@H]1C	ZINC001082829842	910352067	/nfs/dbraw/zinc/35/20/67/910352067.db2.gz	PVVHPKUUHOWBNO-MRVWCRGKSA-N	1	0	353.854	1.117	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC(C[NH2+][C@H]2CCCNC2=O)CC1	ZINC000998138662	910447266	/nfs/dbraw/zinc/44/72/66/910447266.db2.gz	JGIYEIDYKXCLAO-BZSNNMDCSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccnn2C)C1	ZINC001082851637	910465805	/nfs/dbraw/zinc/46/58/05/910465805.db2.gz	RTTVCFXJRPSLJV-GDBMZVCRSA-N	1	0	355.442	1.630	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccn(C)n2)C1	ZINC001082869149	910511640	/nfs/dbraw/zinc/51/16/40/910511640.db2.gz	STAVPCZZEVGIQC-RHSMWYFYSA-N	1	0	353.426	1.077	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCC[C@H](C)C3)C2)cn1	ZINC001082870153	910517672	/nfs/dbraw/zinc/51/76/72/910517672.db2.gz	CTEGRIJJBMQFGJ-FRQCXROJSA-N	1	0	368.481	1.372	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(N(C)C)nn2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082866347	910547429	/nfs/dbraw/zinc/54/74/29/910547429.db2.gz	CZTIJWYJVFCVQW-MLGOLLRUSA-N	1	0	370.482	1.726	20	30		FDEDRO
N#C[C@@H](C(=O)CN1CC[C@@H]([NH+]2CCCC2)C1)c1nc2ccccc2c(=O)[nH]1	ZINC000727158985	910581411	/nfs/dbraw/zinc/58/14/11/910581411.db2.gz	CQHMNGWTLJSGHU-ZBFHGGJFSA-N	1	0	365.437	1.682	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)COc3ccccc3)C[C@H]2C)C1=O	ZINC001082879646	910621220	/nfs/dbraw/zinc/62/12/20/910621220.db2.gz	CMKYVONMDYEWQG-KBAYOESNSA-N	1	0	357.454	1.289	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCC(=O)N2C)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082891433	910676952	/nfs/dbraw/zinc/67/69/52/910676952.db2.gz	HXWVEUNZYNGDIV-OLMNPRSZSA-N	1	0	354.454	1.506	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCC(=O)N2C)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082891598	910679240	/nfs/dbraw/zinc/67/92/40/910679240.db2.gz	OWYUQMYUOPMCFM-OLMNPRSZSA-N	1	0	354.454	1.506	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)Cc3cccc(F)c3)C[C@H]2C)C1=O	ZINC001082902344	910782700	/nfs/dbraw/zinc/78/27/00/910782700.db2.gz	JPCHYJCCASFHMN-FHLIZLRMSA-N	1	0	359.445	1.592	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cncc(C(N)=O)c2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082927295	910961517	/nfs/dbraw/zinc/96/15/17/910961517.db2.gz	WPJVNDGFSFWNOQ-BDJLRTHQSA-N	1	0	369.450	1.364	20	30		FDEDRO
CCN1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1	ZINC001082935002	910969528	/nfs/dbraw/zinc/96/95/28/910969528.db2.gz	GBLMWRCMJZFWEL-ATZDWAIDSA-N	1	0	356.470	1.215	20	30		FDEDRO
CCN1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1	ZINC001082934010	910989220	/nfs/dbraw/zinc/98/92/20/910989220.db2.gz	TWFKRQFSIACKNP-ATZDWAIDSA-N	1	0	356.470	1.215	20	30		FDEDRO
C=C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCOCC2)C1)c1ccccc1	ZINC001082937331	911020652	/nfs/dbraw/zinc/02/06/52/911020652.db2.gz	SDYUFMLJBKDYHS-NZSAHSFTSA-N	1	0	371.481	1.252	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2c(C)cccc2C)C[C@H]1O	ZINC001077821699	911144631	/nfs/dbraw/zinc/14/46/31/911144631.db2.gz	BSDLWZLCJLIMLO-NBYUQASBSA-N	1	0	358.482	1.946	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1O	ZINC001077822846	911254503	/nfs/dbraw/zinc/25/45/03/911254503.db2.gz	GACQGRXHQYBNLG-HZMVEIRTSA-N	1	0	350.484	1.433	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)CCN(C)[C@H]2CCN(CC=C)C2=O)C1=O	ZINC000281488846	911263092	/nfs/dbraw/zinc/26/30/92/911263092.db2.gz	XCYSLXNEMUWJTF-FGTMMUONSA-N	1	0	362.518	1.202	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2[C@@H](C)C[NH+](CC)C[C@@H]2C)cc1	ZINC000655142305	911625388	/nfs/dbraw/zinc/62/53/88/911625388.db2.gz	YXZPPNOKXQDAFI-GJZGRUSLSA-N	1	0	365.499	1.706	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CCO[C@@H]3C[N@H+](CC[C@@H]4CCCCO4)C[C@@H]32)c1	ZINC001083039788	911758399	/nfs/dbraw/zinc/75/83/99/911758399.db2.gz	PALQTVIHQUDSAI-RYQLBKOJSA-N	1	0	358.442	1.371	20	30		FDEDRO
C=C(Br)CN1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](OC)C1	ZINC001212410094	911838569	/nfs/dbraw/zinc/83/85/69/911838569.db2.gz	OIZITCMKHNMLPU-MCIONIFRSA-N	1	0	360.296	1.051	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc([C@H]4CCCN4C)[nH]n3)[C@H]2C1	ZINC001083088975	911964035	/nfs/dbraw/zinc/96/40/35/911964035.db2.gz	LIBFHXCOHNSJIT-FGTMMUONSA-N	1	0	359.474	1.278	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(-c4cccnc4)c3)[C@H]2C1	ZINC001083104656	912034531	/nfs/dbraw/zinc/03/45/31/912034531.db2.gz	MMMSCBJCKDKAET-RBUKOAKNSA-N	1	0	367.453	1.759	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](C[C@@H](O)Cn4cccn4)C[C@H]32)cc1	ZINC001084569035	915406295	/nfs/dbraw/zinc/40/62/95/915406295.db2.gz	DXFAOUHETXUVTD-VAMGGRTRSA-N	1	0	364.449	1.072	20	30		FDEDRO
CN1C(=O)CC[C@@H]1CC(=O)N1C[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001084570701	915416771	/nfs/dbraw/zinc/41/67/71/915416771.db2.gz	PJOHASJEZNAZIH-GUDVDZBRSA-N	1	0	366.465	1.602	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCCc3nc(C)no3)C[C@H]21	ZINC001084672911	916068097	/nfs/dbraw/zinc/06/80/97/916068097.db2.gz	UVZOAFCCOFTINJ-VQHPVUNQSA-N	1	0	360.458	1.434	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCN(CC#Cc4ccccc4)C[C@H]32)C1	ZINC001084773482	917028650	/nfs/dbraw/zinc/02/86/50/917028650.db2.gz	RIJMLNBEYGAQEL-PWRODBHTSA-N	1	0	351.494	1.913	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)c(F)c1	ZINC001084777984	917055265	/nfs/dbraw/zinc/05/52/65/917055265.db2.gz	ZXETVYOIEQGTOL-IEBWSBKVSA-N	1	0	368.456	1.826	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](CCn4nc(C)nc4C)C[C@H]32)nc1	ZINC001084783769	917089001	/nfs/dbraw/zinc/08/90/01/917089001.db2.gz	JGWANWSZPUFGLM-IEBWSBKVSA-N	1	0	364.453	1.118	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@H]2CC[N@H+](CC[C@@H]3CCOC3)C[C@H]21	ZINC001084783323	917119398	/nfs/dbraw/zinc/11/93/98/917119398.db2.gz	LPCXXDDELPSLHS-ZHALLVOQSA-N	1	0	369.465	1.667	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)cc1	ZINC000731126856	917772911	/nfs/dbraw/zinc/77/29/11/917772911.db2.gz	NIIJBEHQYGPLCG-UHFFFAOYSA-N	1	0	355.438	1.628	20	30		FDEDRO
C=C(Br)CN1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]21	ZINC001084903494	918147493	/nfs/dbraw/zinc/14/74/93/918147493.db2.gz	FNKMLOPAGXFGRM-ILXRZTDVSA-N	1	0	356.308	1.912	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H]2CC[N@H+](CC(=O)N(C)C3CCCCC3)[C@H]2C1	ZINC001084904600	918185029	/nfs/dbraw/zinc/18/50/29/918185029.db2.gz	OJECTCMGJBXGAM-NUJGCVRESA-N	1	0	360.502	1.860	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ncccc4C)C[C@@H]32)C1=O	ZINC001084915812	918286863	/nfs/dbraw/zinc/28/68/63/918286863.db2.gz	SLMJBRBAFBIYHO-BZSNNMDCSA-N	1	0	368.481	1.713	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3CC[N@H+](C[C@H]4CCc5ncnn54)[C@H]3C2)c1	ZINC001084915666	918288077	/nfs/dbraw/zinc/28/80/77/918288077.db2.gz	KUFVKGOEOOEJKY-INMHGKMJSA-N	1	0	365.441	1.202	20	30		FDEDRO
CN1CCOC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@H]2C1	ZINC001084925113	918354469	/nfs/dbraw/zinc/35/44/69/918354469.db2.gz	JXRQELDTTKIVBJ-AABGKKOBSA-N	1	0	368.481	1.312	20	30		FDEDRO
Cn1nccc1CC(=O)N1CC[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@H]2C1	ZINC001084929577	918438884	/nfs/dbraw/zinc/43/88/84/918438884.db2.gz	ZBPLOHZLOGBEOU-QUCCMNQESA-N	1	0	363.465	1.957	20	30		FDEDRO
Cn1nccc1CC(=O)N1CC[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@H]2C1	ZINC001084929714	918443360	/nfs/dbraw/zinc/44/33/60/918443360.db2.gz	KQCVLUYDQJMSGF-UZLBHIALSA-N	1	0	363.465	1.957	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ccncc4C)C[C@@H]32)C1=O	ZINC001084936554	918507341	/nfs/dbraw/zinc/50/73/41/918507341.db2.gz	SAYDXCCJDVTLSZ-UHOSZYNNSA-N	1	0	368.481	1.713	20	30		FDEDRO
Cc1nnc(CC(=O)N2CC[C@H]3CC[N@H+](Cc4cccc(C#N)c4)[C@H]3C2)[nH]1	ZINC001084936821	918510727	/nfs/dbraw/zinc/51/07/27/918510727.db2.gz	QAUFCTBNRYEQTD-MSOLQXFVSA-N	1	0	364.453	1.650	20	30		FDEDRO
Cc1nnc(CC(=O)N2CC[C@H]3CC[N@H+](CC#Cc4ccccc4)[C@H]3C2)o1	ZINC001084934646	918529786	/nfs/dbraw/zinc/52/97/86/918529786.db2.gz	MQRQPYAFGYUMFL-MOPGFXCFSA-N	1	0	364.449	1.895	20	30		FDEDRO
CN(C)c1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)ccn1	ZINC001084937645	918577470	/nfs/dbraw/zinc/57/74/70/918577470.db2.gz	OOIRFZLZITZHNU-MOPGFXCFSA-N	1	0	352.482	1.984	20	30		FDEDRO
CC(C)CN1c2ccccc2C(=NNC(=S)NCCC[NH+](C)C)C1=O	ZINC000731928814	918848751	/nfs/dbraw/zinc/84/87/51/918848751.db2.gz	OZMVZMJBZDRRNU-UHFFFAOYSA-N	1	0	361.515	1.809	20	30		FDEDRO
CC(=NNC(=S)NCCC[NH+](C)C)c1nnn(-c2ccccc2)c1C	ZINC000731930722	918852237	/nfs/dbraw/zinc/85/22/37/918852237.db2.gz	JELMRBLAZXEUTQ-UHFFFAOYSA-N	1	0	359.503	1.716	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc(C(N)=O)nc3)C[C@@H]21	ZINC001084971367	918969369	/nfs/dbraw/zinc/96/93/69/918969369.db2.gz	BWBBTRQMGOVYIK-AEFFLSMTSA-N	1	0	356.470	1.612	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3coc(S(N)(=O)=O)c3)C[C@@H]21	ZINC001084974648	919037838	/nfs/dbraw/zinc/03/78/38/919037838.db2.gz	MZPBWCLBSOPURC-OCCSQVGLSA-N	1	0	353.444	1.040	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CCNC4=O)C[C@@H]32)cc1F	ZINC001085005536	919506937	/nfs/dbraw/zinc/50/69/37/919506937.db2.gz	ZMZYVHBVCOADLS-HFTRVMKXSA-N	1	0	370.428	1.256	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C[C@@H]21	ZINC001085012325	919594876	/nfs/dbraw/zinc/59/48/76/919594876.db2.gz	KAHVQLKVYMFXAX-NSYSGPAISA-N	1	0	351.450	1.873	20	30		FDEDRO
CC(C)(CNC(=O)NCCNC(=O)C1N=CC=CC1=O)[NH+]1CCCCC1	ZINC000732438652	919608214	/nfs/dbraw/zinc/60/82/14/919608214.db2.gz	AFZWLTFOLXZCIA-NXVVXOECSA-N	1	0	363.462	1.077	20	30		FDEDRO
C[N@H+](CCNC(=O)NCCNC(=O)C1N=CC=CC1=O)C1CCCCC1	ZINC000732460324	919632344	/nfs/dbraw/zinc/63/23/44/919632344.db2.gz	GNNUYHZXEDVRJQ-WUKNDPDISA-N	1	0	363.462	1.077	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3c4n(c(=O)n3C)CCCC4)C[C@@H]21	ZINC001085032325	919926273	/nfs/dbraw/zinc/92/62/73/919926273.db2.gz	BDGUWUHVEYBRRZ-WBVHZDCISA-N	1	0	358.486	1.636	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3c(F)cccc3NC(N)=O)C[C@@H]21	ZINC001085044796	920010260	/nfs/dbraw/zinc/01/02/60/920010260.db2.gz	KFSSAEIHPBPMRL-CJNGLKHVSA-N	1	0	358.417	1.876	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4ccnc4)nn3)C[C@@H]21	ZINC001085055902	920190055	/nfs/dbraw/zinc/19/00/55/920190055.db2.gz	IJWZFUUBMAQENK-WBVHZDCISA-N	1	0	352.442	1.775	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3[nH]ncc3Br)C[C@@H]21	ZINC001085058392	920228915	/nfs/dbraw/zinc/22/89/15/920228915.db2.gz	SDLNEPOKLVWXCA-YPMHNXCESA-N	1	0	351.248	1.732	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4nccs4)C[C@@H]32)C1=O	ZINC001085061513	920290785	/nfs/dbraw/zinc/29/07/85/920290785.db2.gz	QNWACOBOWKHGHG-ZNMIVQPWSA-N	1	0	360.483	1.466	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)CCn4cnnn4)C[C@@H]32)c1	ZINC001085062473	920305984	/nfs/dbraw/zinc/30/59/84/920305984.db2.gz	WSLHHZRPFJRQAV-MSOLQXFVSA-N	1	0	365.441	1.058	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(=O)n(CCCC)n3)C[C@@H]21	ZINC001085090951	920776253	/nfs/dbraw/zinc/77/62/53/920776253.db2.gz	SATKXCFSDWNYPQ-AEFFLSMTSA-N	1	0	356.470	1.603	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(-n4cnnn4)c3)C[C@@H]21	ZINC001085091008	920776924	/nfs/dbraw/zinc/77/69/24/920776924.db2.gz	WSIXIWNZPXLDFN-QAPCUYQASA-N	1	0	352.442	1.775	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN(C(=O)CCC)C3)C[C@@H]21	ZINC001085099705	920905586	/nfs/dbraw/zinc/90/55/86/920905586.db2.gz	HHJXNRIYQHRJQX-QRVBRYPASA-N	1	0	359.514	1.971	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(NC(=O)NC)cc3)C[C@@H]21	ZINC001085104090	920941428	/nfs/dbraw/zinc/94/14/28/920941428.db2.gz	GMHBPTPXUIXHGP-QAPCUYQASA-N	1	0	354.454	1.998	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(NC(=O)NC)cc3)C[C@@H]21	ZINC001085104262	920942803	/nfs/dbraw/zinc/94/28/03/920942803.db2.gz	SBAQJCRDSKZFJE-QAPCUYQASA-N	1	0	354.454	1.998	20	30		FDEDRO
COc1cccc(-c2n[nH]cc2C[NH2+]CCNC(=O)C2N=CC=CC2=O)c1	ZINC000733333074	920988221	/nfs/dbraw/zinc/98/82/21/920988221.db2.gz	HNOBJWNBHAMILW-HNENSFHCSA-N	1	0	367.409	1.701	20	30		FDEDRO
CC(C)c1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C#N)c[nH]2)[nH]1	ZINC001085163913	921911343	/nfs/dbraw/zinc/91/13/43/921911343.db2.gz	GLYVIHUOJDMLBQ-ZIAGYGMSSA-N	1	0	355.446	1.959	20	30		FDEDRO
CC(C)n1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C#N)c[nH]2)nn1	ZINC001085164007	921911526	/nfs/dbraw/zinc/91/15/26/921911526.db2.gz	KNKWDDZQGHBIPI-HZPDHXFCSA-N	1	0	355.446	1.890	20	30		FDEDRO
C[C@@H]1CCCCN1C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC001085164098	921912995	/nfs/dbraw/zinc/91/29/95/921912995.db2.gz	PWGKLBDWVHDOJL-DJIMGWMZSA-N	1	0	371.485	1.918	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCN(C3CCC3)C2=O)[nH]1	ZINC001085172329	921984171	/nfs/dbraw/zinc/98/41/71/921984171.db2.gz	VPORDYTVUWIBGY-NUJGCVRESA-N	1	0	369.469	1.670	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ncccc2O)C1=O	ZINC001085178740	922026383	/nfs/dbraw/zinc/02/63/83/922026383.db2.gz	SGCPBXYSQUUDMY-RBSFLKMASA-N	1	0	358.442	1.205	20	30		FDEDRO
Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2F)nn1	ZINC001085190324	922156493	/nfs/dbraw/zinc/15/64/93/922156493.db2.gz	VBEGJHSSBSHVJF-HZPDHXFCSA-N	1	0	356.405	1.657	20	30		FDEDRO
Cc1nnc(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(F)c(C#N)c2)[nH]1	ZINC001085195069	922344278	/nfs/dbraw/zinc/34/42/78/922344278.db2.gz	GLGVFFXHWZQDGT-IAGOWNOFSA-N	1	0	370.432	1.884	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@@H]3C2)n1	ZINC001066076527	922547782	/nfs/dbraw/zinc/54/77/82/922547782.db2.gz	NWWLKPSNMDLNLB-PNBKFKSVSA-N	1	0	368.485	1.145	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)C[NH+](CC)CC)CC1	ZINC001066193484	922605511	/nfs/dbraw/zinc/60/55/11/922605511.db2.gz	FOEHFKFUJMELFO-AOIWGVFYSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)CC1	ZINC001066217145	922610499	/nfs/dbraw/zinc/61/04/99/922610499.db2.gz	JDDKUNFEQGNKRA-KURKYZTESA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)CC[NH+](C)C)CC1	ZINC001066213008	922640029	/nfs/dbraw/zinc/64/00/29/922640029.db2.gz	DTESZXIEZXXXGD-AOIWGVFYSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC(=O)N(C)C1	ZINC001085216757	922852148	/nfs/dbraw/zinc/85/21/48/922852148.db2.gz	BTRGTBOSXNKFOW-YNEHKIRRSA-N	1	0	358.280	1.390	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC(=O)NC1	ZINC001085253796	923217916	/nfs/dbraw/zinc/21/79/16/923217916.db2.gz	GPMFCIFRXMQOEC-KZNAEPCWSA-N	1	0	354.454	1.601	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC(=O)NC1	ZINC001085254171	923221386	/nfs/dbraw/zinc/22/13/86/923221386.db2.gz	UMVKACBGJUOSKX-YNEHKIRRSA-N	1	0	358.280	1.438	20	30		FDEDRO
N#CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2[C@@H]3COC[C@@H]32)cc1	ZINC001085302814	923684032	/nfs/dbraw/zinc/68/40/32/923684032.db2.gz	GFQPSLWWAZUALP-IVDHNXQLSA-N	1	0	369.465	1.998	20	30		FDEDRO
C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)CCC(=O)NC1	ZINC001085305201	923704352	/nfs/dbraw/zinc/70/43/52/923704352.db2.gz	LBCSHSQITCMSSG-DBXWQHBBSA-N	1	0	368.481	1.992	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)C1	ZINC001085335233	923948194	/nfs/dbraw/zinc/94/81/94/923948194.db2.gz	HRWRPRMTNCNOHF-XJFOESAGSA-N	1	0	372.307	1.814	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cncc(OC)n1	ZINC001085338284	924020688	/nfs/dbraw/zinc/02/06/88/924020688.db2.gz	YSJJCWOHTPNQEK-VQHPVUNQSA-N	1	0	360.458	1.593	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nccn2C)nn1	ZINC001085358740	924173060	/nfs/dbraw/zinc/17/30/60/924173060.db2.gz	PSANKYFZVMWLFO-HUUCEWRRSA-N	1	0	357.462	1.419	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(OC)no2)nn1	ZINC001085357110	924185725	/nfs/dbraw/zinc/18/57/25/924185725.db2.gz	FDQSGTVBJFQGFD-ZIAGYGMSSA-N	1	0	360.418	1.292	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[C@H]2CCC(=O)N2)cc1	ZINC001085361164	924229217	/nfs/dbraw/zinc/22/92/17/924229217.db2.gz	QCVAVIBINAAGBL-KZNAEPCWSA-N	1	0	354.454	1.744	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCC(=O)N2)c(F)c1	ZINC001085399231	924452201	/nfs/dbraw/zinc/45/22/01/924452201.db2.gz	XZZRHNYTCMMYEC-ZACQAIPSSA-N	1	0	358.417	1.493	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC1	ZINC001066252162	924480309	/nfs/dbraw/zinc/48/03/09/924480309.db2.gz	SPHCSHNSPRDMGW-ZACQAIPSSA-N	1	0	363.502	1.559	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCN(C)C1=O	ZINC001085406543	924482141	/nfs/dbraw/zinc/48/21/41/924482141.db2.gz	KMZMOGTZSIUTII-VAMGGRTRSA-N	1	0	367.493	1.848	20	30		FDEDRO
CC(=O)N1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)C1	ZINC001085407646	924516204	/nfs/dbraw/zinc/51/62/04/924516204.db2.gz	PXPFAXHTVKOBPH-XUVXKRRUSA-N	1	0	368.481	1.944	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CC1	ZINC000735937745	924684450	/nfs/dbraw/zinc/68/44/50/924684450.db2.gz	NKDFEASBLFFZAU-ZDUSSCGKSA-N	1	0	357.410	1.001	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1ccnc1	ZINC001085438222	924728267	/nfs/dbraw/zinc/72/82/67/924728267.db2.gz	BDVFUYXNOXXTQQ-QZTJIDSGSA-N	1	0	367.453	1.981	20	30		FDEDRO
C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1)N1CCOCC1	ZINC001085443414	924748942	/nfs/dbraw/zinc/74/89/42/924748942.db2.gz	LLPVOPQTNDBGJM-PWIZWCRZSA-N	1	0	370.497	1.796	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)COc1cccc(C#N)c1	ZINC000740712238	925413680	/nfs/dbraw/zinc/41/36/80/925413680.db2.gz	IPTIIMYQJOBLSF-UHFFFAOYSA-N	1	0	352.394	1.736	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC2CCN(c3ccccc3C#N)CC2)CC1	ZINC000740746217	925434024	/nfs/dbraw/zinc/43/40/24/925434024.db2.gz	YSFHNKNLNNYVKU-UHFFFAOYSA-N	1	0	350.466	1.988	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1	ZINC000740885389	925485246	/nfs/dbraw/zinc/48/52/46/925485246.db2.gz	SPPCGXQSIQRIHT-QLFBSQMISA-N	1	0	352.479	1.982	20	30		FDEDRO
C[NH+](C)CCNC(=O)CC1SC(=Nc2cnc3ccccc3c2)NC1=O	ZINC000743277426	926307485	/nfs/dbraw/zinc/30/74/85/926307485.db2.gz	QJJSMACNTWLFKB-HNNXBMFYSA-N	1	0	371.466	1.522	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc3n(n2)CCC3)C1	ZINC001086223419	926353336	/nfs/dbraw/zinc/35/33/36/926353336.db2.gz	OXTFOWWYVZBRQS-QXGSTGNESA-N	1	0	358.486	1.795	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(C(N)=O)c2)C1	ZINC001086223312	926353356	/nfs/dbraw/zinc/35/33/56/926353356.db2.gz	KLZRXEBWPJKKCW-NQYYFHDYSA-N	1	0	371.481	1.751	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)CC1	ZINC000743492068	926379002	/nfs/dbraw/zinc/37/90/02/926379002.db2.gz	OZQWJGRXBLVEAZ-KRWDZBQOSA-N	1	0	362.518	1.668	20	30		FDEDRO
C#CCN(CC#CC)CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1	ZINC000743852279	926475055	/nfs/dbraw/zinc/47/50/55/926475055.db2.gz	JOCGGAKDNPGFKS-UHFFFAOYSA-N	1	0	352.482	1.726	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000743979413	926533318	/nfs/dbraw/zinc/53/33/18/926533318.db2.gz	BBYYPQDNMOGOGC-HNNXBMFYSA-N	1	0	358.442	1.908	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2nnc(C3CC3)[nH]2)C1	ZINC001086369611	926866121	/nfs/dbraw/zinc/86/61/21/926866121.db2.gz	QPPGJOXEGUGHDG-MIGQKNRLSA-N	1	0	359.474	1.648	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@H]2COCCN2c2cccc(F)c2C#N)CC[N@@H+]1C	ZINC001066527329	927140009	/nfs/dbraw/zinc/14/00/09/927140009.db2.gz	XJWHKUAHRDMCJM-RBSFLKMASA-N	1	0	360.433	1.359	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)C1=O	ZINC001086431486	927217735	/nfs/dbraw/zinc/21/77/35/927217735.db2.gz	PAUJNWXBPZOODS-UXJCHEOYSA-N	1	0	361.486	1.073	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001086479229	927503666	/nfs/dbraw/zinc/50/36/66/927503666.db2.gz	VXDIVGQGXUVSJA-XLAORIBOSA-N	1	0	354.454	1.267	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N2CCC(C)CC2)C1	ZINC001086481091	927518449	/nfs/dbraw/zinc/51/84/49/927518449.db2.gz	NHLOVUKORZKZKB-TVFCKZIOSA-N	1	0	363.502	1.320	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@H]3CCO[C@H]3C(=C)C)C2)C1=O	ZINC001086503954	927710981	/nfs/dbraw/zinc/71/09/81/927710981.db2.gz	VHCYHVDFYSQAHX-ATIWLJMLSA-N	1	0	361.486	1.239	20	30		FDEDRO
CC(C)[C@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)[NH+]1CCC(C)CC1	ZINC000746353697	927900864	/nfs/dbraw/zinc/90/08/64/927900864.db2.gz	JKDKVFHCEALMSE-INIZCTEOSA-N	1	0	360.462	1.218	20	30		FDEDRO
CC[N@H+](CCC#N)[C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC001169204017	928335258	/nfs/dbraw/zinc/33/52/58/928335258.db2.gz	ZKSRYTXMQHXBEV-AWEZNQCLSA-N	1	0	360.462	1.228	20	30		FDEDRO
CCC[N@H+](CCC#N)[C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC001169202783	928336741	/nfs/dbraw/zinc/33/67/41/928336741.db2.gz	QRHLDKFZCAOHRK-OAHLLOKOSA-N	1	0	374.489	1.618	20	30		FDEDRO
C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@@H](C#N)C1	ZINC001169204895	928357683	/nfs/dbraw/zinc/35/76/83/928357683.db2.gz	DFJJVMDFZZYCOU-CABCVRRESA-N	1	0	372.473	1.228	20	30		FDEDRO
COc1ccc(C(=NO)Nc2ccc3c([C@H]4CCC[NH2+]4)nnn3c2)nc1	ZINC001169601338	928775526	/nfs/dbraw/zinc/77/55/26/928775526.db2.gz	PHUAQMDNBMMCMX-CYBMUJFWSA-N	1	0	353.386	1.805	20	30		FDEDRO
COc1ccc(C(=Nc2ccc(C(=O)N3CCC([NH3+])CC3)cc2)NO)nc1	ZINC001169608900	928788788	/nfs/dbraw/zinc/78/87/88/928788788.db2.gz	XLTIADJCFXUVQD-UHFFFAOYSA-N	1	0	369.425	1.711	20	30		FDEDRO
CC(=O)N1CCC[C@@H]([N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)C1	ZINC001169614516	928814205	/nfs/dbraw/zinc/81/42/05/928814205.db2.gz	GNZPNSAQOMZNDX-CTNGQTDRSA-N	1	0	366.465	1.998	20	30		FDEDRO
CCC[C@@H]1CN(C(=O)NCCNc2ncccc2C#N)CC[N@@H+]1CCOC	ZINC000766776028	928827443	/nfs/dbraw/zinc/82/74/43/928827443.db2.gz	LCTVPWZLDNCJKJ-QGZVFWFLSA-N	1	0	374.489	1.507	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnn(CC)c2C)[C@@H](n2ccnn2)C1	ZINC001129342825	928871205	/nfs/dbraw/zinc/87/12/05/928871205.db2.gz	ZMRMIRYBKDJDFN-QGTPRVQTSA-N	1	0	371.489	1.813	20	30		FDEDRO
CCCCCCC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CC[C@@H](C)O3)CC2=O)C1	ZINC001108573500	928938422	/nfs/dbraw/zinc/93/84/22/928938422.db2.gz	WSHNHVBIEXIYOJ-JFIYKMOQSA-N	1	0	365.518	1.926	20	30		FDEDRO
C=CCCC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3C[C@H]3c3cccnc3)CC2=O)C1	ZINC001108577890	928961943	/nfs/dbraw/zinc/96/19/43/928961943.db2.gz	RWQVIBHUSWWOHE-NZSAHSFTSA-N	1	0	368.481	1.553	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@](C)(CNC(=O)OC(C)(C)C)C1CC1	ZINC000766943584	929006158	/nfs/dbraw/zinc/00/61/58/929006158.db2.gz	ZBGRBGZZZKAUOS-QGZVFWFLSA-N	1	0	354.451	1.281	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000767025590	929053829	/nfs/dbraw/zinc/05/38/29/929053829.db2.gz	RGROPNQSHIXHFH-ROUUACIJSA-N	1	0	370.453	1.011	20	30		FDEDRO
Cc1cc(S(=O)(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)ccc1C#N	ZINC000767485226	929326222	/nfs/dbraw/zinc/32/62/22/929326222.db2.gz	HUBTXWURDDKOLY-QGZVFWFLSA-N	1	0	363.483	1.788	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](C(=O)OC)c2ccc(OC)cc2OC)CC1	ZINC000770079281	929825853	/nfs/dbraw/zinc/82/58/53/929825853.db2.gz	LOWRFSKQFONGAW-SFHVURJKSA-N	1	0	374.437	1.379	20	30		FDEDRO
C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCCOC	ZINC001109604257	929926318	/nfs/dbraw/zinc/92/63/18/929926318.db2.gz	AHQQEEUWGLNLLT-YRXWBPOGSA-N	1	0	366.502	1.316	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCN(S(C)(=O)=O)C1	ZINC001109604612	929926761	/nfs/dbraw/zinc/92/67/61/929926761.db2.gz	RFUIZIDRMGVXRK-WCVJEAGWSA-N	1	0	369.531	1.202	20	30		FDEDRO
COC(=O)C[C@@]1([NH2+]CC(=O)N(CCC#N)c2ccccc2)CCCOC1	ZINC000770709665	930220093	/nfs/dbraw/zinc/22/00/93/930220093.db2.gz	QKYVYPFZHHWTLZ-IBGZPJMESA-N	1	0	359.426	1.635	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1noc3c1C[C@@H](C)CC3)C2	ZINC001109918320	930733481	/nfs/dbraw/zinc/73/34/81/930733481.db2.gz	ANDWVQDIBDKNLH-XRGAULLZSA-N	1	0	372.469	1.437	20	30		FDEDRO
O=C(C[NH2+][C@@H](CCO)C1CC1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000771795843	930892727	/nfs/dbraw/zinc/89/27/27/930892727.db2.gz	LZKNSGMBJQHLKL-INIZCTEOSA-N	1	0	354.372	1.924	20	30		FDEDRO
C=CCN1CC[C@@H](N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCC[NH+](C)C)C3)C1=O	ZINC001110007384	931070706	/nfs/dbraw/zinc/07/07/06/931070706.db2.gz	UENMTNWDVLSJJK-VSZNYVQBSA-N	1	0	362.518	1.227	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1	ZINC000772112426	931080945	/nfs/dbraw/zinc/08/09/45/931080945.db2.gz	AIYIZZHXYPLPTL-KRWDZBQOSA-N	1	0	371.393	1.589	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)CC1	ZINC000772114879	931081719	/nfs/dbraw/zinc/08/17/19/931081719.db2.gz	CEBQKEZBZQLHMK-UHFFFAOYSA-N	1	0	357.410	1.472	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@@H]2CCN(c3c(F)cccc3F)C2=O)CC1	ZINC000772115426	931082582	/nfs/dbraw/zinc/08/25/82/931082582.db2.gz	GSMGGOZIOYJFGI-MRXNPFEDSA-N	1	0	362.376	1.959	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2cccc(NC(C)=O)c2)CC1	ZINC000772114970	931083125	/nfs/dbraw/zinc/08/31/25/931083125.db2.gz	SOBTXTNUXIUDFK-UHFFFAOYSA-N	1	0	357.410	1.472	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c3cccnc23)[C@@H](n2ccnn2)C1	ZINC001129393259	931286707	/nfs/dbraw/zinc/28/67/07/931286707.db2.gz	FUTCNNFPRCJWSA-SJORKVTESA-N	1	0	365.441	1.776	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnn3cccc(OC)c13)C2	ZINC001112546593	931439003	/nfs/dbraw/zinc/43/90/03/931439003.db2.gz	SPGWAANTMIUZRM-YWZLYKJASA-N	1	0	352.438	1.808	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(OC)o1)C2	ZINC001112550525	931460729	/nfs/dbraw/zinc/46/07/29/931460729.db2.gz	AEUQEVJSHQLEIA-LIRRHRJNSA-N	1	0	361.442	1.422	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)OCC#Cc2ccccc2)CC1=O	ZINC000785648997	931523476	/nfs/dbraw/zinc/52/34/76/931523476.db2.gz	YSXJKEYTNRKAIJ-OALUTQOASA-N	1	0	354.450	1.914	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c[nH]nc1C1CC1)C2	ZINC001112555423	931555926	/nfs/dbraw/zinc/55/59/26/931555926.db2.gz	RHOBJLMHNPUTPN-YWZLYKJASA-N	1	0	371.485	1.421	20	30		FDEDRO
C=CCNC(=O)[C@H](C)OC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1	ZINC000785711796	931581130	/nfs/dbraw/zinc/58/11/30/931581130.db2.gz	PSRGXTUMRNMGLV-HNNXBMFYSA-N	1	0	360.454	1.738	20	30		FDEDRO
C#CCNC(=O)[C@H](C)OC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1	ZINC000785712697	931581646	/nfs/dbraw/zinc/58/16/46/931581646.db2.gz	VOBGFJWLFUQPSX-HNNXBMFYSA-N	1	0	358.438	1.186	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CS(=O)(=O)C(C)(C)C)C2	ZINC001112564467	931607410	/nfs/dbraw/zinc/60/74/10/931607410.db2.gz	UVWUICZRQQUSHH-YJBOKZPZSA-N	1	0	354.516	1.441	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnn3ccc(C)nc13)C2	ZINC001112564720	931609396	/nfs/dbraw/zinc/60/93/96/931609396.db2.gz	MLKABZNHIYJMBT-JXFKEZNVSA-N	1	0	351.454	1.893	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCC)C1	ZINC001112564990	931610639	/nfs/dbraw/zinc/61/06/39/931610639.db2.gz	DTUUZTIUQJOTBJ-UWJYYQICSA-N	1	0	371.481	1.962	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc3c(c1)C(=O)NC3=O)C2	ZINC001112565157	931610822	/nfs/dbraw/zinc/61/08/22/931610822.db2.gz	NHAMRLNIJZXYHN-BTYIYWSLSA-N	1	0	365.433	1.425	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(C)cc1)C2	ZINC001112568899	931633459	/nfs/dbraw/zinc/63/34/59/931633459.db2.gz	SKMTXCBDJRCCOZ-LZNRXBQRSA-N	1	0	367.493	1.965	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CO[C@H](C)c1nccn1C)C2	ZINC001112570723	931652516	/nfs/dbraw/zinc/65/25/16/931652516.db2.gz	LRTWQXWDIIRHQV-UWVAXJGDSA-N	1	0	358.486	1.739	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@H](O)COC)C1	ZINC001112569726	931662471	/nfs/dbraw/zinc/66/24/71/931662471.db2.gz	MPEIEXADSBDXAW-ONTIZHBOSA-N	1	0	370.493	1.436	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnn3cc[nH]c13)C2	ZINC001112569741	931663207	/nfs/dbraw/zinc/66/32/07/931663207.db2.gz	NBRXHGGENVNWMD-KXBFYZLASA-N	1	0	355.442	1.144	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(CC)cc1)C2	ZINC001112572694	931670240	/nfs/dbraw/zinc/67/02/40/931670240.db2.gz	MVMHXBDITDNANG-UGKGYDQZSA-N	1	0	367.493	1.830	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(=O)n(C)n1)C2	ZINC001112574123	931680414	/nfs/dbraw/zinc/68/04/14/931680414.db2.gz	OSVJVEUYOAKSAV-GUXCAODWSA-N	1	0	358.486	1.967	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(CNC(N)=O)cc1)C2	ZINC001112575983	931707865	/nfs/dbraw/zinc/70/78/65/931707865.db2.gz	NBXCAXSYVCRGPV-PXNSSMCTSA-N	1	0	354.454	1.320	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c(C)nc(C)[nH]c1=O)C2	ZINC001112577954	931730757	/nfs/dbraw/zinc/73/07/57/931730757.db2.gz	OMWVOWNHZYIRNI-JXFKEZNVSA-N	1	0	356.470	1.583	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccnc1C(N)=O)C2	ZINC001112583492	931754221	/nfs/dbraw/zinc/75/42/21/931754221.db2.gz	UWLNOHZCQXSCPM-YWZLYKJASA-N	1	0	356.470	1.979	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3nnc(C)n3C1)C2	ZINC001112583781	931757593	/nfs/dbraw/zinc/75/75/93/931757593.db2.gz	JDPDNWWPXNOBCN-UWVAXJGDSA-N	1	0	357.502	1.943	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCOC)C1	ZINC001112588511	931797750	/nfs/dbraw/zinc/79/77/50/931797750.db2.gz	DCNBBQNFGSFOQS-HKUYNNGSSA-N	1	0	354.491	1.460	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nnc(CC)o2)C1	ZINC001112589010	931801161	/nfs/dbraw/zinc/80/11/61/931801161.db2.gz	HEKYLLUKMQCKDZ-DOXZYTNZSA-N	1	0	362.474	1.941	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](CC(C)C)C(N)=O)C2	ZINC001112593335	931850958	/nfs/dbraw/zinc/85/09/58/931850958.db2.gz	JDCSYYJHYZQJEV-QKLQHJQFSA-N	1	0	363.502	1.002	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC13CCOCC3)C2	ZINC001112593256	931851045	/nfs/dbraw/zinc/85/10/45/931851045.db2.gz	FGUSUWPCDYGYPC-WFXMLNOXSA-N	1	0	360.498	1.671	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NCC[NH+]2CCC(C)CC2)cc1C#N	ZINC000787664690	932362600	/nfs/dbraw/zinc/36/26/00/932362600.db2.gz	RINAJVYOFUBWLB-UHFFFAOYSA-N	1	0	358.442	1.031	20	30		FDEDRO
C[NH+]1CCC(NC(=O)c2ccc(NCc3ccc(C#N)c(F)c3)nn2)CC1	ZINC001170091025	932837745	/nfs/dbraw/zinc/83/77/45/932837745.db2.gz	VBGBPRSGLVNVSE-UHFFFAOYSA-N	1	0	368.416	1.923	20	30		FDEDRO
C#CCNS(=O)(=O)N1CC[NH+](CC[C@@H](C)OCc2ccccc2)CC1	ZINC000789359439	933007482	/nfs/dbraw/zinc/00/74/82/933007482.db2.gz	VYGPNRSXNAGCPJ-QGZVFWFLSA-N	1	0	365.499	1.067	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2COCCN2CC)C1	ZINC001086596061	933926378	/nfs/dbraw/zinc/92/63/78/933926378.db2.gz	ITLJAWPNWMBHKT-XUVXKRRUSA-N	1	0	357.498	1.867	20	30		FDEDRO
C#CCn1cc(CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)cn1	ZINC000791262489	933935167	/nfs/dbraw/zinc/93/51/67/933935167.db2.gz	MNMNDLYQIUFRNJ-UHFFFAOYSA-N	1	0	351.454	1.345	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CCCC(=O)N2)C1	ZINC001086598601	933994754	/nfs/dbraw/zinc/99/47/54/933994754.db2.gz	PYGUUNJVHXFGAH-CEXWTWQISA-N	1	0	353.466	1.653	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn(CCC)nn2)C1	ZINC001086617698	938327190	/nfs/dbraw/zinc/32/71/90/938327190.db2.gz	SQSQWSSQDSAJRV-ZWKOTPCHSA-N	1	0	351.454	1.909	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2Cc3cccnc3C2)[C@@H](n2ccnn2)C1	ZINC001129406882	938404212	/nfs/dbraw/zinc/40/42/12/938404212.db2.gz	BHLRUTZNLQEPIJ-QRQLOZEOSA-N	1	0	366.469	1.396	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)c2ccc(F)cc2)[C@@H](n2ccnn2)C1	ZINC001129449320	938419602	/nfs/dbraw/zinc/41/96/02/938419602.db2.gz	LRBPOQVGEBREIQ-LZQZEXGQSA-N	1	0	369.444	1.976	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2n2ccnn2)CCCCC1	ZINC001129449360	938419953	/nfs/dbraw/zinc/41/99/53/938419953.db2.gz	MHCUYWJQSARTKS-SJORKVTESA-N	1	0	361.490	1.529	20	30		FDEDRO
C[C@H](F)CC[N@@H+]1C[C@@H](NC(=O)CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129453645	938420667	/nfs/dbraw/zinc/42/06/67/938420667.db2.gz	GHQTZQNVAWAHPH-UHOSZYNNSA-N	1	0	369.444	1.810	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@@H]1n1ccnn1	ZINC001129476751	938432919	/nfs/dbraw/zinc/43/29/19/938432919.db2.gz	PTGSGCWMXJSPGX-MSOLQXFVSA-N	1	0	359.474	1.713	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)N(C)C)[C@@H](n2ccnn2)C1	ZINC001129461271	938436244	/nfs/dbraw/zinc/43/62/44/938436244.db2.gz	TXUNFGCWCPBCNU-CEXWTWQISA-N	1	0	368.485	1.499	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC23CCOCC3)[C@@H](n2ccnn2)C1	ZINC001129490775	938442304	/nfs/dbraw/zinc/44/23/04/938442304.db2.gz	NMYUCICYFYNKHR-BBWFWOEESA-N	1	0	359.474	1.403	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](OCC)c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129496859	938444517	/nfs/dbraw/zinc/44/45/17/938444517.db2.gz	WNHQCUYXOURQNH-QYZOEREBSA-N	1	0	369.469	1.974	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@@H]1n1ccnn1	ZINC001129603872	938462908	/nfs/dbraw/zinc/46/29/08/938462908.db2.gz	NXNIDUWPEXNJFU-CVEARBPZSA-N	1	0	364.519	1.847	20	30		FDEDRO
CCCC[C@H](CC)C(=O)N1C[C@@H]([NH2+]CC#CCOC)[C@@H](n2ccnn2)C1	ZINC001129604100	938463169	/nfs/dbraw/zinc/46/31/69/938463169.db2.gz	WYGZGLMKRMDJKM-KSZLIROESA-N	1	0	361.490	1.486	20	30		FDEDRO
CC(C)OCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H](n2ccnn2)C1	ZINC001129664441	938477905	/nfs/dbraw/zinc/47/79/05/938477905.db2.gz	JSTXYYXLNJDKFC-MSOLQXFVSA-N	1	0	368.441	1.116	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]([NH2+][C@@H]2CCc3ccccc32)[C@@H](n2ccnn2)C1	ZINC001129681731	938484267	/nfs/dbraw/zinc/48/42/67/938484267.db2.gz	XDXPARZELJMZEH-QRVBRYPASA-N	1	0	367.453	1.510	20	30		FDEDRO
Cc1cccc(CCC[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2n2ccnn2)c1	ZINC001129677809	938490987	/nfs/dbraw/zinc/49/09/87/938490987.db2.gz	OCFROBLFWOZJTM-UHOSZYNNSA-N	1	0	366.469	1.721	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cncc(C(N)=O)c2)C1	ZINC001086624899	938491288	/nfs/dbraw/zinc/49/12/88/938491288.db2.gz	ZWWITSOQDSEDNF-RBUKOAKNSA-N	1	0	364.449	1.954	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]C/C=C\c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129678189	938491434	/nfs/dbraw/zinc/49/14/34/938491434.db2.gz	YVCXJJBIKCYWJV-SJVQQGFCSA-N	1	0	350.426	1.493	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C(F)=C2CCCC2)C[C@@H]1n1ccnn1	ZINC001129741976	938504758	/nfs/dbraw/zinc/50/47/58/938504758.db2.gz	MZYLBNBSGODFKQ-CVEARBPZSA-N	1	0	363.437	1.620	20	30		FDEDRO
CC(C)(C)CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1n1ccnn1	ZINC001129778336	938513879	/nfs/dbraw/zinc/51/38/79/938513879.db2.gz	VAYSXEXODMPJPW-SJORKVTESA-N	1	0	369.473	1.959	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCOC2)[C@@H](n2ccnn2)C1	ZINC001129778627	938514352	/nfs/dbraw/zinc/51/43/52/938514352.db2.gz	YIXMUTJJAYJTAH-KSZLIROESA-N	1	0	359.474	1.240	20	30		FDEDRO
CCO[C@H](C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1n1ccnn1)C1CC1	ZINC001129822362	938522172	/nfs/dbraw/zinc/52/21/72/938522172.db2.gz	SEIODWMNDYNWRL-FGTMMUONSA-N	1	0	359.474	1.094	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]Cc2ccccc2C)[C@@H](n2ccnn2)C1	ZINC001129829491	938523672	/nfs/dbraw/zinc/52/36/72/938523672.db2.gz	JAGZRQYRSFYICV-MOPGFXCFSA-N	1	0	351.454	1.932	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C2(COC)CCCCC2)C[C@@H]1n1ccnn1	ZINC001129892035	938542601	/nfs/dbraw/zinc/54/26/01/938542601.db2.gz	DKIHHMKBMLRNPU-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)CCc2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001129892266	938542877	/nfs/dbraw/zinc/54/28/77/938542877.db2.gz	OUCOUGQGINPMBQ-IPELMVKDSA-N	1	0	369.444	1.661	20	30		FDEDRO
CCCCCCCCOCC(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1	ZINC001129894317	938555503	/nfs/dbraw/zinc/55/55/03/938555503.db2.gz	AKOXMHDUHBLERE-SJORKVTESA-N	1	0	369.485	1.966	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C/C=C/c2cccc(F)c2)C[C@@H]1n1ccnn1	ZINC001129895936	938557331	/nfs/dbraw/zinc/55/73/31/938557331.db2.gz	MRTULXWPFZXHBR-RYECEPHISA-N	1	0	353.401	1.495	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C/C=C\Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001129897539	938558294	/nfs/dbraw/zinc/55/82/94/938558294.db2.gz	AFXDGVJYAOMQNM-KGMDJONISA-N	1	0	363.465	1.832	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C/C=C\Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001129898569	938558958	/nfs/dbraw/zinc/55/89/58/938558958.db2.gz	XIWZXHMQVNKFRE-MGBKSAOESA-N	1	0	351.454	1.995	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc3ccc(C)cn32)C[C@@H]1n1ccnn1	ZINC001129936874	938564503	/nfs/dbraw/zinc/56/45/03/938564503.db2.gz	UWVFCACUTPCGTL-WBVHZDCISA-N	1	0	365.441	1.466	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC(C)(C)CO2)C[C@@H]1n1ccnn1	ZINC001129939752	938565742	/nfs/dbraw/zinc/56/57/42/938565742.db2.gz	VKRMBGWFBCWPGV-ZACQAIPSSA-N	1	0	361.490	1.791	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2c(C)n[nH]c2C)C[C@@H]1n1ccnn1	ZINC001129921008	938568371	/nfs/dbraw/zinc/56/83/71/938568371.db2.gz	KLKDPQPGXHZOMW-XKQJLSEDSA-N	1	0	369.473	1.177	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)ccc2OC)C[C@@H]1n1ccnn1	ZINC001129926677	938571110	/nfs/dbraw/zinc/57/11/10/938571110.db2.gz	BPYPTNSMAZQDPD-SJORKVTESA-N	1	0	353.426	1.274	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(F)cc(C)cc2F)C[C@@H]1n1ccnn1	ZINC001129928813	938572182	/nfs/dbraw/zinc/57/21/82/938572182.db2.gz	NVWHXFRKQGTOLJ-CVEARBPZSA-N	1	0	359.380	1.543	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2cncc(OC)c2)C[C@@H]1n1ccnn1	ZINC001129928829	938572211	/nfs/dbraw/zinc/57/22/11/938572211.db2.gz	OSUHAYAYEIZSEX-MSOLQXFVSA-N	1	0	370.457	1.232	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc3ncccc32)C[C@@H]1n1ccnn1	ZINC001129948840	938573548	/nfs/dbraw/zinc/57/35/48/938573548.db2.gz	BOGZMMDHRPQWDV-MOPGFXCFSA-N	1	0	360.421	1.505	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCc2ccccc2C)C[C@@H]1n1ccnn1	ZINC001129948925	938573614	/nfs/dbraw/zinc/57/36/14/938573614.db2.gz	GPIKXBIOXGGMAC-QRQLOZEOSA-N	1	0	369.469	1.719	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2n[nH]nc2C)C[C@@H]1n1ccnn1	ZINC001129954673	938576745	/nfs/dbraw/zinc/57/67/45/938576745.db2.gz	ZARURYJQKUINLJ-CABCVRRESA-N	1	0	358.450	1.106	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]([NH2+]C[C@@H](OC)C2CCC2)[C@@H](n2ccnn2)C1	ZINC001129959248	938577940	/nfs/dbraw/zinc/57/79/40/938577940.db2.gz	OHEAZTDZSRWHCS-IXDOHACOSA-N	1	0	361.490	1.647	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1	ZINC001086626712	938586732	/nfs/dbraw/zinc/58/67/32/938586732.db2.gz	BKLGNQUTOZBYMQ-YESZJQIVSA-N	1	0	355.438	1.200	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H]([NH2+]Cc2cccnc2C)[C@@H](n2ccnn2)C1	ZINC001129972669	938591227	/nfs/dbraw/zinc/59/12/27/938591227.db2.gz	ICEYGGWAXYBKGP-MOPGFXCFSA-N	1	0	366.469	1.717	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)nc(OC)c2)C[C@@H]1n1ccnn1	ZINC001129980572	938595731	/nfs/dbraw/zinc/59/57/31/938595731.db2.gz	OEBCAADTTZSVBR-CVEARBPZSA-N	1	0	356.430	1.222	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H]([NH2+]CCOCC(F)F)[C@@H](n2ccnn2)C1	ZINC001129995788	938604499	/nfs/dbraw/zinc/60/44/99/938604499.db2.gz	JCPQOFZIQZUKKC-KEYYUXOJSA-N	1	0	371.432	1.504	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(C)(C)C2)C[C@@H]1n1ccnn1	ZINC001129997256	938605302	/nfs/dbraw/zinc/60/53/02/938605302.db2.gz	GFRQVGPREBKIHE-BBWFWOEESA-N	1	0	361.490	1.649	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H]([NH2+]CCOCC(F)F)[C@@H](n3ccnn3)C2)C1	ZINC001129997528	938605642	/nfs/dbraw/zinc/60/56/42/938605642.db2.gz	QLYVEJNROIJTQT-KGLIPLIRSA-N	1	0	369.416	1.258	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H]([NH2+]C[C@@H]3CCOC3)[C@@H](n3ccnn3)C2)CC1	ZINC001129998927	938606505	/nfs/dbraw/zinc/60/65/05/938606505.db2.gz	ANTOGQKBFMIJIW-BBWFWOEESA-N	1	0	359.474	1.403	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(CC)C[C@@H](O)c2ccc(C)cc2)CC1	ZINC000804891548	938610288	/nfs/dbraw/zinc/61/02/88/938610288.db2.gz	NTFOTLKNQQHEAT-LJQANCHMSA-N	1	0	373.497	1.644	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCOc2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001129987995	938611281	/nfs/dbraw/zinc/61/12/81/938611281.db2.gz	CMBNKUIBOXSHLI-MSOLQXFVSA-N	1	0	371.416	1.251	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CC)CCc2ccccn2)CC1	ZINC000804895271	938611828	/nfs/dbraw/zinc/61/18/28/938611828.db2.gz	ABALTCMZSRJDOH-UHFFFAOYSA-N	1	0	358.486	1.629	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2c2cc(C)on2)CC1	ZINC000804895343	938611852	/nfs/dbraw/zinc/61/18/52/938611852.db2.gz	IMVRKGTWUOZQBV-QGZVFWFLSA-N	1	0	360.458	1.803	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)CCO3)C[C@@H]1n1ccnn1	ZINC001130015529	938616807	/nfs/dbraw/zinc/61/68/07/938616807.db2.gz	XHUVHTUEYCBXRO-MSOLQXFVSA-N	1	0	367.453	1.835	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2[C@H]3CCCCCC[C@H]23)C[C@@H]1n1ccnn1	ZINC001130017451	938617741	/nfs/dbraw/zinc/61/77/41/938617741.db2.gz	JDMQYYUFQHIZJO-FJIDUMEYSA-N	1	0	355.486	1.859	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C2(CF)CCOCC2)C[C@@H]1n1ccnn1	ZINC001130007568	938624894	/nfs/dbraw/zinc/62/48/94/938624894.db2.gz	LASBEOFEBSFIKH-CVEARBPZSA-N	1	0	365.453	1.352	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cc(C)oc2C)C[C@@H]1n1ccnn1	ZINC001130040911	938627436	/nfs/dbraw/zinc/62/74/36/938627436.db2.gz	ROSUVDVSCCWIAS-QGTPRVQTSA-N	1	0	355.442	1.656	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(C)nn2CC)C[C@@H]1n1ccnn1	ZINC001130024107	938628333	/nfs/dbraw/zinc/62/83/33/938628333.db2.gz	KOTMFRHYYVNDGO-KYJSFNMBSA-N	1	0	371.489	1.813	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCC2CCOCC2)C[C@@H]1n1ccnn1	ZINC001130028249	938630459	/nfs/dbraw/zinc/63/04/59/938630459.db2.gz	MTINPRLEFXLGRB-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COCc2ccccc2C)C[C@@H]1n1ccnn1	ZINC001130032837	938633709	/nfs/dbraw/zinc/63/37/09/938633709.db2.gz	NZGKUQDTTZEDOF-MOPGFXCFSA-N	1	0	367.453	1.168	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc(C)nc2C(C)C)C[C@@H]1n1ccnn1	ZINC001130033666	938634220	/nfs/dbraw/zinc/63/42/20/938634220.db2.gz	ARHJRKUVKSMORO-SJORKVTESA-N	1	0	369.473	1.731	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]cn2)C[C@@H]1n1ccnn1	ZINC001130034424	938634624	/nfs/dbraw/zinc/63/46/24/938634624.db2.gz	OWENCQHXOHDWTI-UAGQMJEPSA-N	1	0	357.462	1.188	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CCCCC(C)C)C[C@@H]1n1ccnn1	ZINC001130054788	938640003	/nfs/dbraw/zinc/64/00/03/938640003.db2.gz	PSIPHBPSBBKPGZ-MSOLQXFVSA-N	1	0	361.490	1.486	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1	ZINC001086628350	938641502	/nfs/dbraw/zinc/64/15/02/938641502.db2.gz	BQHJBIIAHGVJRK-PKOBYXMFSA-N	1	0	364.449	1.954	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)oc2C)C[C@@H]1n1ccnn1	ZINC001130065699	938653392	/nfs/dbraw/zinc/65/33/92/938653392.db2.gz	PEMWLKAIRRUSBY-SJORKVTESA-N	1	0	355.442	1.982	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)COc2ccsc2)C[C@@H]1n1ccnn1	ZINC001130083745	938664956	/nfs/dbraw/zinc/66/49/56/938664956.db2.gz	HZCXDVFVCZLESU-CVEARBPZSA-N	1	0	361.471	1.726	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)CC(F)(F)F)C[C@@H]1n1ccnn1	ZINC001130077474	938670608	/nfs/dbraw/zinc/67/06/08/938670608.db2.gz	KMFJEHODKKVTEM-OLZOCXBDSA-N	1	0	357.380	1.622	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cccn2)C[C@@H]1n1ccnn1	ZINC001130077652	938670945	/nfs/dbraw/zinc/67/09/45/938670945.db2.gz	SXSRFVJGDMRQMU-ZACQAIPSSA-N	1	0	357.462	1.434	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2oc(CC)nc2C)C[C@@H]1n1ccnn1	ZINC001130079284	938672117	/nfs/dbraw/zinc/67/21/17/938672117.db2.gz	BOCMLIYZDNOZKJ-CABCVRRESA-N	1	0	358.446	1.758	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2C(C)(C)C)C[C@@H]1n1ccnn1	ZINC001130079486	938672508	/nfs/dbraw/zinc/67/25/08/938672508.db2.gz	MPFZENFOLUELRV-CABCVRRESA-N	1	0	357.462	1.530	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)CC(C)C)C[C@@H]1n1ccnn1	ZINC001130079549	938672792	/nfs/dbraw/zinc/67/27/92/938672792.db2.gz	OVROVNFIZQLGJL-SJORKVTESA-N	1	0	361.490	1.342	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]CCC(C)C)[C@@H](n3ccnn3)C2)nc1	ZINC001130091477	938676742	/nfs/dbraw/zinc/67/67/42/938676742.db2.gz	VZBLGIRGKLTYSS-MSOLQXFVSA-N	1	0	352.442	1.356	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2sc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001130107339	938687189	/nfs/dbraw/zinc/68/71/89/938687189.db2.gz	KQCJHWADNXRTPB-CVEARBPZSA-N	1	0	357.483	1.564	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc(C)nc2C2CC2)C[C@@H]1n1ccnn1	ZINC001130107226	938687271	/nfs/dbraw/zinc/68/72/71/938687271.db2.gz	KEQHDTQNBMEOSE-SJORKVTESA-N	1	0	367.457	1.485	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COc2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001130112978	938692890	/nfs/dbraw/zinc/69/28/90/938692890.db2.gz	XJYUVGPCJAISHN-MSOLQXFVSA-N	1	0	353.426	1.030	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCOc2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001130125375	938696204	/nfs/dbraw/zinc/69/62/04/938696204.db2.gz	KRVMMYHFLAHCBZ-MOPGFXCFSA-N	1	0	369.469	1.973	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cccc(F)c2)C[C@@H]1n1ccnn1	ZINC001130129633	938699133	/nfs/dbraw/zinc/69/91/33/938699133.db2.gz	QADJSCKSFFYTQP-QGTPRVQTSA-N	1	0	355.417	1.586	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](F)Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130133791	938708506	/nfs/dbraw/zinc/70/85/06/938708506.db2.gz	CYJALDNKIVDTQT-KURKYZTESA-N	1	0	355.417	1.224	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2ccccc2C)C[C@@H]1n1ccnn1	ZINC001130153468	938717498	/nfs/dbraw/zinc/71/74/98/938717498.db2.gz	UAKFEXXOJDISGP-MOPGFXCFSA-N	1	0	365.481	1.929	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001130153476	938717517	/nfs/dbraw/zinc/71/75/17/938717517.db2.gz	UMKVQILUGVOHNA-LZQZEXGQSA-N	1	0	369.444	1.661	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001130153475	938717537	/nfs/dbraw/zinc/71/75/37/938717537.db2.gz	UMKVQILUGVOHNA-IPELMVKDSA-N	1	0	369.444	1.661	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(CC#C)CCCCC2)C[C@@H]1n1ccnn1	ZINC001130155493	938718589	/nfs/dbraw/zinc/71/85/89/938718589.db2.gz	JVOILEALHAGORQ-MSOLQXFVSA-N	1	0	353.470	1.617	20	30		FDEDRO
C=CCC[C@H](C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)c1ccccc1	ZINC001130158325	938719843	/nfs/dbraw/zinc/71/98/43/938719843.db2.gz	CPSUYTJBZVRFEQ-OTWHNJEPSA-N	1	0	369.469	1.362	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc3n(c2)CCCC3)C[C@@H]1n1ccnn1	ZINC001130158755	938720100	/nfs/dbraw/zinc/72/01/00/938720100.db2.gz	PYRWNUXBXMSMHR-MSOLQXFVSA-N	1	0	354.458	1.647	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](OC)C2CCCCC2)C[C@@H]1n1ccnn1	ZINC001130160783	938721046	/nfs/dbraw/zinc/72/10/46/938721046.db2.gz	AXJCZJDMXFPYLC-SQNIBIBYSA-N	1	0	359.474	1.238	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]([NH2+]Cc2cncc(C)c2)[C@@H](n2ccnn2)C1	ZINC001130148492	938722721	/nfs/dbraw/zinc/72/27/21/938722721.db2.gz	SQMHYRZPWAQLRK-MSOLQXFVSA-N	1	0	370.457	1.116	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CSC)[nH]1	ZINC001130181672	938728922	/nfs/dbraw/zinc/72/89/22/938728922.db2.gz	PBLBBSWGPJQSLU-RDBSUJKOSA-N	1	0	367.519	1.601	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc[nH]2)[nH]1	ZINC001130187199	938732675	/nfs/dbraw/zinc/73/26/75/938732675.db2.gz	WHEDARMOKXVPBM-ZFWWWQNUSA-N	1	0	358.446	1.491	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H]2C=CCC2)n1	ZINC001130187731	938734001	/nfs/dbraw/zinc/73/40/01/938734001.db2.gz	GSLVGKHWRGGUOC-JYJNAYRXSA-N	1	0	357.458	1.263	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cccc(C)c2)n1	ZINC001130188087	938734772	/nfs/dbraw/zinc/73/47/72/938734772.db2.gz	YISIJCPOGDENNH-HOTGVXAUSA-N	1	0	353.426	1.138	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)COCCC)n1	ZINC001130190720	938735701	/nfs/dbraw/zinc/73/57/01/938735701.db2.gz	LGLSLZXDAGFUGG-STQMWFEESA-N	1	0	371.869	1.062	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCOCC)[nH]1	ZINC001130193262	938737771	/nfs/dbraw/zinc/73/77/71/938737771.db2.gz	PLRNHCHOVYEAOP-GJZGRUSLSA-N	1	0	365.478	1.276	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ncccc2C)[nH]1	ZINC001130195774	938738750	/nfs/dbraw/zinc/73/87/50/938738750.db2.gz	BQRZUWVTDGKHCU-GJZGRUSLSA-N	1	0	370.457	1.476	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CC=CC2)[nH]1	ZINC001130195814	938738818	/nfs/dbraw/zinc/73/88/18/938738818.db2.gz	DNOGWARQTBFEPI-HOTGVXAUSA-N	1	0	359.474	1.815	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C)oc2C)n1	ZINC001130183255	938742818	/nfs/dbraw/zinc/74/28/18/938742818.db2.gz	YVKRRLDWTSARHH-ZFWWWQNUSA-N	1	0	357.414	1.040	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC2(F)F)[nH]1	ZINC001130207704	938746962	/nfs/dbraw/zinc/74/69/62/938746962.db2.gz	MTOSIIFGCSEQLB-TUAOUCFPSA-N	1	0	355.389	1.114	20	30		FDEDRO
CC[C@H](C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C#CC2CC2)[nH]1	ZINC001130212736	938749470	/nfs/dbraw/zinc/74/94/70/938749470.db2.gz	AICJPEHQPPXFPG-BPUTZDHNSA-N	1	0	359.474	1.343	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C#CC(C)C)[nH]1	ZINC001130213264	938750509	/nfs/dbraw/zinc/75/05/09/938750509.db2.gz	WPSIDXURHIQIDL-HOTGVXAUSA-N	1	0	359.474	1.509	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](CC)CC(F)F)[nH]1	ZINC001130216129	938752596	/nfs/dbraw/zinc/75/25/96/938752596.db2.gz	NGGBLDUSWDGAHV-AGIUHOORSA-N	1	0	371.432	1.750	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H](C)SC)[nH]1	ZINC001130200287	938753752	/nfs/dbraw/zinc/75/37/52/938753752.db2.gz	GIGAUXJLRUTNFT-IHRRRGAJSA-N	1	0	367.519	1.601	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)/C=C\C2CC2)n1	ZINC001130202842	938755478	/nfs/dbraw/zinc/75/54/78/938755478.db2.gz	LLCKIRJTPJOCEX-MRYXHSKJSA-N	1	0	365.865	1.602	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCC(C)(F)F)[nH]1	ZINC001130220742	938756250	/nfs/dbraw/zinc/75/62/50/938756250.db2.gz	KIOFJYBGTNVWEO-STQMWFEESA-N	1	0	371.432	1.895	20	30		FDEDRO
C#Cc1ccc(C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CCC)[nH]2)cc1	ZINC001130224870	938758821	/nfs/dbraw/zinc/75/88/21/938758821.db2.gz	GLDMFMWWXZAGGY-IRXDYDNUSA-N	1	0	367.453	1.588	20	30		FDEDRO
C=C/C(C)=C/CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(=C)C)[nH]1	ZINC001130227744	938761892	/nfs/dbraw/zinc/76/18/92/938761892.db2.gz	NCIWUPFXMRSKHI-IDVSTWMWSA-N	1	0	359.474	1.982	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)[nH]1	ZINC001130232711	938764999	/nfs/dbraw/zinc/76/49/99/938764999.db2.gz	OUQNDNDIBJTHCQ-KBMXLJTQSA-N	1	0	361.490	1.895	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CCC(=C)CC2)[nH]1	ZINC001130235226	938766604	/nfs/dbraw/zinc/76/66/04/938766604.db2.gz	ZRKSPVDCBVAZAY-HOTGVXAUSA-N	1	0	359.474	1.815	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC23CCC3)[nH]1	ZINC001130240470	938768452	/nfs/dbraw/zinc/76/84/52/938768452.db2.gz	QHWDLDPVJXWODW-KKUMJFAQSA-N	1	0	359.474	1.649	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](CC)CCC)n1	ZINC001130244141	938770334	/nfs/dbraw/zinc/77/03/34/938770334.db2.gz	BOLYMSQMUNHJAF-PMPSAXMXSA-N	1	0	361.490	1.733	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@H](C)SC)CC1	ZINC001130280903	938779195	/nfs/dbraw/zinc/77/91/95/938779195.db2.gz	BOSHWFLRTGDBJX-GMBSWORKSA-N	1	0	365.543	1.627	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C/C=C\Cl)CC1	ZINC001130281352	938779461	/nfs/dbraw/zinc/77/94/61/938779461.db2.gz	ITZLKMHHPLJYDN-LCQDYMGHSA-N	1	0	352.866	1.374	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)SC)CC1	ZINC001130274176	938786263	/nfs/dbraw/zinc/78/62/63/938786263.db2.gz	ACXBQHAKZZSDLL-LXZKKBNFSA-N	1	0	351.516	1.237	20	30		FDEDRO
C=CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2cn[nH]c2)CC1	ZINC001130274420	938786477	/nfs/dbraw/zinc/78/64/77/938786477.db2.gz	NFRZVCKXDAXSHU-AEFFLSMTSA-N	1	0	359.474	1.465	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC2CCC2)CC1	ZINC001130278776	938788841	/nfs/dbraw/zinc/78/88/41/938788841.db2.gz	BPEYRNUCGIRDBZ-XLIONFOSSA-N	1	0	363.502	1.465	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@@H](C)O)CC1	ZINC001130285158	938789924	/nfs/dbraw/zinc/78/99/24/938789924.db2.gz	CABRFPSSQICEMC-MDYRTPRTSA-N	1	0	363.502	1.036	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[C@@H](C)OC)CC1	ZINC001130285729	938790353	/nfs/dbraw/zinc/79/03/53/938790353.db2.gz	NOBURIKBHZKHJI-MDYRTPRTSA-N	1	0	365.518	1.853	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2ccoc2)CC1	ZINC001130285593	938790465	/nfs/dbraw/zinc/79/04/65/938790465.db2.gz	LRDFBOUOLRZXJI-NQIIRXRSSA-N	1	0	371.481	1.711	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCF)CC1	ZINC001130288413	938793049	/nfs/dbraw/zinc/79/30/49/938793049.db2.gz	ODNFRKWWXVVIOZ-MNEFBYGVSA-N	1	0	369.481	1.149	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCC(C)(F)F)CC1	ZINC001130293275	938796763	/nfs/dbraw/zinc/79/67/63/938796763.db2.gz	QOOHCCQNOLFBOS-QAPCUYQASA-N	1	0	369.456	1.921	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@@H](C)O)CC1	ZINC001130293519	938797039	/nfs/dbraw/zinc/79/70/39/938797039.db2.gz	YBUIRCBOAQRFHX-KYJSFNMBSA-N	1	0	365.518	1.445	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2(CCF)CC2)CC1	ZINC001130299040	938799312	/nfs/dbraw/zinc/79/93/12/938799312.db2.gz	UKAPZDRYWOONCA-AEFFLSMTSA-N	1	0	363.477	1.625	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@@H](C)COC)CC1	ZINC001130304882	938803126	/nfs/dbraw/zinc/80/31/26/938803126.db2.gz	DVDJXKWDAKXEGU-MDYRTPRTSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1)c1ccncc1	ZINC000805810615	938830927	/nfs/dbraw/zinc/83/09/27/938830927.db2.gz	JCWSVEHDFBXVBZ-SFHVURJKSA-N	1	0	370.453	1.998	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130480635	938875668	/nfs/dbraw/zinc/87/56/68/938875668.db2.gz	YJYUQCYXMOQBBV-AZUAARDMSA-N	1	0	366.465	1.576	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1c1cn(C)cn1	ZINC001130487627	938880215	/nfs/dbraw/zinc/88/02/15/938880215.db2.gz	HAJOENXZRALRPM-FUHWJXTLSA-N	1	0	355.442	1.218	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@H]1c1cn(C)cn1	ZINC001130502393	938885467	/nfs/dbraw/zinc/88/54/67/938885467.db2.gz	KNLIOZPWPZPMPW-HLLBOEOZSA-N	1	0	361.515	1.916	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCC[C@@](O)(C[NH+]2CCN(CCC#N)CC2)CC1	ZINC000822785481	945224406	/nfs/dbraw/zinc/22/44/06/945224406.db2.gz	QWVZNPSMWKFRII-IBGZPJMESA-N	1	0	366.506	1.670	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cccnc2)C1	ZINC001130574202	939874605	/nfs/dbraw/zinc/87/46/05/939874605.db2.gz	NGMGGMMRMZXHDU-ILZDJORESA-N	1	0	369.469	1.226	20	30		FDEDRO
CCCC[C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#CCOC)C1	ZINC001130578075	939878618	/nfs/dbraw/zinc/87/86/18/939878618.db2.gz	CHOWBRJABKJPRV-JENIJYKNSA-N	1	0	360.502	1.780	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2nnc(C)o2)C[C@H]1c1cn(C)cn1	ZINC001130576543	939879885	/nfs/dbraw/zinc/87/98/85/939879885.db2.gz	SEXMEJUTEAAXTR-GOEBONIOSA-N	1	0	358.446	1.204	20	30		FDEDRO
CCO[C@@H](C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1cn(C)cn1)C1CC1	ZINC001130586928	939887192	/nfs/dbraw/zinc/88/71/92/939887192.db2.gz	CQNKTWSBRXKOJU-SXLOBPIMSA-N	1	0	370.497	1.533	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1c1cn(C)cn1	ZINC001130580576	939893139	/nfs/dbraw/zinc/89/31/39/939893139.db2.gz	JOCNRDOUEDDGQH-DOTOQJQBSA-N	1	0	371.489	1.493	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2C=CC=CC=C2)C[C@H]1c1cn(C)cn1	ZINC001130600460	939895286	/nfs/dbraw/zinc/89/52/86/939895286.db2.gz	FTENJPFHKCKFLI-AZUAARDMSA-N	1	0	368.481	1.805	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3n[nH]cc32)C[C@H]1c1cn(C)cn1	ZINC001130590348	939897179	/nfs/dbraw/zinc/89/71/79/939897179.db2.gz	LWMYEXJDDRQJFO-URLQWDBASA-N	1	0	366.469	1.171	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn(C3CCC3)c2)C[C@H]1c1cn(C)cn1	ZINC001130590619	939897999	/nfs/dbraw/zinc/89/79/99/939897999.db2.gz	ZPPNQMVDNLLSQB-PKOBYXMFSA-N	1	0	366.469	1.563	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCC(C)(C)C)C1	ZINC001130593357	939900244	/nfs/dbraw/zinc/90/02/44/939900244.db2.gz	XYBABQHZHDZXDU-SOLBZPMBSA-N	1	0	360.502	1.779	20	30		FDEDRO
Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000747325415	939901034	/nfs/dbraw/zinc/90/10/34/939901034.db2.gz	IZCYFOZTKANUDH-HUUCEWRRSA-N	1	0	354.410	1.843	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1c1cn(C)cn1	ZINC001130594713	939901719	/nfs/dbraw/zinc/90/17/19/939901719.db2.gz	VTIQOJWJWQPDOV-KYHPRHEASA-N	1	0	373.501	1.185	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccnc3[nH]cnc32)C[C@H]1c1cn(C)cn1	ZINC001130601192	939905481	/nfs/dbraw/zinc/90/54/81/939905481.db2.gz	XZQJEMMBWGJIAZ-GOEBONIOSA-N	1	0	365.441	1.465	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc3c([nH]2)CCOC3)C[C@H]1c1cn(C)cn1	ZINC001130610630	939908021	/nfs/dbraw/zinc/90/80/21/939908021.db2.gz	ONTPGDIQKIOJAO-HNAYVOBHSA-N	1	0	369.469	1.595	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@H]1c1cn(C)cn1	ZINC001130612067	939910192	/nfs/dbraw/zinc/91/01/92/939910192.db2.gz	PGPNEQACNGYYIP-OAFZBRQQSA-N	1	0	368.485	1.797	20	30		FDEDRO
N#Cc1ccc(Oc2nc(NCCOCCOCC[NH3+])ncc2F)cc1	ZINC001170507215	939915738	/nfs/dbraw/zinc/91/57/38/939915738.db2.gz	HIBWXHXKDFVRKK-UHFFFAOYSA-N	1	0	361.377	1.683	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@H](CC)C(N)=O)C1	ZINC001130604964	939916333	/nfs/dbraw/zinc/91/63/33/939916333.db2.gz	RKRDDGNKKSOXRN-SQWLQELKSA-N	1	0	361.490	1.170	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3nccn32)C[C@H]1c1cn(C)cn1	ZINC001130608004	939919967	/nfs/dbraw/zinc/91/99/67/939919967.db2.gz	WIOVLPBTNMUVBD-CGTJXYLNSA-N	1	0	366.469	1.102	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2nc(C)cs2)C[C@H]1c1cn(C)cn1	ZINC001130628359	939921270	/nfs/dbraw/zinc/92/12/70/939921270.db2.gz	NLRMHIGCZWSUJH-DOTOQJQBSA-N	1	0	371.510	1.725	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)(C)C)n[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130624210	939922267	/nfs/dbraw/zinc/92/22/67/939922267.db2.gz	PBQOAHGMJMSUHO-WMLDXEAASA-N	1	0	368.485	1.662	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ncc3ccccn32)C[C@H]1c1cn(C)cn1	ZINC001130625965	939923569	/nfs/dbraw/zinc/92/35/69/939923569.db2.gz	FAWFVUHJEGXVIS-FUHWJXTLSA-N	1	0	362.437	1.289	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCc2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130626287	939923707	/nfs/dbraw/zinc/92/37/07/939923707.db2.gz	HBNVMCLTHNMRAQ-XKGZKEIXSA-N	1	0	366.465	1.543	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cncc(OC)c2C)C[C@H]1c1cn(C)cn1	ZINC001130616905	939928207	/nfs/dbraw/zinc/92/82/07/939928207.db2.gz	IMSNOSMROWOWFC-FUHWJXTLSA-N	1	0	367.453	1.353	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCn3nccc32)C[C@H]1c1cn(C)cn1	ZINC001130619365	939930110	/nfs/dbraw/zinc/93/01/10/939930110.db2.gz	OBPVWNHGGYHUPA-XYJFISCASA-N	1	0	368.485	1.654	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2(F)CCCC2)C[C@H]1c1cn(C)cn1	ZINC001130619352	939930149	/nfs/dbraw/zinc/93/01/49/939930149.db2.gz	NOYZPTIQMPNNIZ-DOTOQJQBSA-N	1	0	364.465	1.789	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1c1cn(C)cn1	ZINC001130622031	939932035	/nfs/dbraw/zinc/93/20/35/939932035.db2.gz	LZUISWSXCNMLHY-WMLDXEAASA-N	1	0	357.462	1.482	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)[nH]c2=O)C[C@H]1c1cn(C)cn1	ZINC001130635072	939937464	/nfs/dbraw/zinc/93/74/64/939937464.db2.gz	IAXCKFZZKMYSON-DOTOQJQBSA-N	1	0	369.469	1.911	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]C[C@@H](C)OC)C2)cc1	ZINC001130637577	939939283	/nfs/dbraw/zinc/93/92/83/939939283.db2.gz	AHOMCQPIEPYLPJ-MOXGXCLJSA-N	1	0	366.465	1.634	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCn2nc(C)cc2C)C[C@H]1c1cn(C)cn1	ZINC001130637938	939940290	/nfs/dbraw/zinc/94/02/90/939940290.db2.gz	SLGSCSBCJRUCAB-PKOBYXMFSA-N	1	0	368.485	1.231	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOCC2CC2)C1	ZINC001130642214	939949418	/nfs/dbraw/zinc/94/94/18/939949418.db2.gz	FMSYTRBDPQTBDL-FUHWJXTLSA-N	1	0	360.502	1.943	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC=CCC2)C[C@H]1c1cn(C)cn1	ZINC001130642697	939950476	/nfs/dbraw/zinc/95/04/76/939950476.db2.gz	ZNLXGSBEQNSMET-WSTZPKSXSA-N	1	0	370.497	1.700	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#CCOC)C1	ZINC001130644402	939952609	/nfs/dbraw/zinc/95/26/09/939952609.db2.gz	QJFQICHZIZYOBT-PKOBYXMFSA-N	1	0	356.470	1.148	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccnn2C)C1	ZINC001130656802	939960862	/nfs/dbraw/zinc/96/08/62/939960862.db2.gz	QRNIVVPJASQCKJ-VDZJLULYSA-N	1	0	370.501	1.840	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1c1cn(C)cn1	ZINC001130678290	939967868	/nfs/dbraw/zinc/96/78/68/939967868.db2.gz	SQVHWNHJWQOTIX-MUQADHOPSA-N	1	0	373.501	1.172	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3nc[nH]c32)C[C@H]1c1cn(C)cn1	ZINC001130672289	939971138	/nfs/dbraw/zinc/97/11/38/939971138.db2.gz	LJIAKXCZRSQTFC-RLFYNMQTSA-N	1	0	366.469	1.171	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(F)F)n[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130672541	939972110	/nfs/dbraw/zinc/97/21/10/939972110.db2.gz	RRZQNQLSHTVDAQ-XHDPSFHLSA-N	1	0	362.384	1.302	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3ccncc3C2)C[C@H]1c1cn(C)cn1	ZINC001130677907	939974150	/nfs/dbraw/zinc/97/41/50/939974150.db2.gz	HFMHYYWVAFBUCQ-XKGZKEIXSA-N	1	0	365.481	1.690	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3ccncc3C2)C[C@H]1c1cn(C)cn1	ZINC001130677687	939974283	/nfs/dbraw/zinc/97/42/83/939974283.db2.gz	DYUPWDAQPXQYIR-XKGZKEIXSA-N	1	0	363.465	1.137	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccnc(C3CC3)n2)C[C@H]1c1cn(C)cn1	ZINC001130685294	939975331	/nfs/dbraw/zinc/97/53/31/939975331.db2.gz	MXFNWWIJJGCXAK-MAUKXSAKSA-N	1	0	364.453	1.309	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2cn(C)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130687797	939977884	/nfs/dbraw/zinc/97/78/84/939977884.db2.gz	QUNBCWUQUGBHQB-PKOBYXMFSA-N	1	0	368.485	1.002	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)nc(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130692321	939980928	/nfs/dbraw/zinc/98/09/28/939980928.db2.gz	DRVHRKVBJMEWSJ-MAUKXSAKSA-N	1	0	352.442	1.048	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CNC(=O)CCC(C)C)C[C@H]1c1cn(C)cn1	ZINC001130692592	939981359	/nfs/dbraw/zinc/98/13/59/939981359.db2.gz	SFMLVHUFDYMPPR-DOTOQJQBSA-N	1	0	361.490	1.043	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(C)nc(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130692669	939981527	/nfs/dbraw/zinc/98/15/27/939981527.db2.gz	XVGZGFHDZLTUCJ-QFBILLFUSA-N	1	0	368.485	1.991	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCCc2cccnc2)C[C@H]1c1cn(C)cn1	ZINC001130706382	939987949	/nfs/dbraw/zinc/98/79/49/939987949.db2.gz	CAYKUPJUXPMNLD-AZUAARDMSA-N	1	0	365.481	1.745	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCc2cccnc2)C[C@H]1c1cn(C)cn1	ZINC001130706407	939987974	/nfs/dbraw/zinc/98/79/74/939987974.db2.gz	DFTAZUSESWWJRU-PKOBYXMFSA-N	1	0	353.470	1.908	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)NC(C)=O)C[C@H]1c1cn(C)cn1	ZINC001130695120	939989696	/nfs/dbraw/zinc/98/96/96/939989696.db2.gz	FMZLSKVXKUZOIX-DOTOQJQBSA-N	1	0	361.490	1.185	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3c([nH]2)CCC3)C[C@H]1c1cn(C)cn1	ZINC001130710165	939998340	/nfs/dbraw/zinc/99/83/40/939998340.db2.gz	PEFCCSYWFAYQRN-HNAYVOBHSA-N	1	0	351.454	1.458	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1c1cn(C)cn1	ZINC001130712754	939999498	/nfs/dbraw/zinc/99/94/98/939999498.db2.gz	KGAOQWVIMAJUOX-VDZJLULYSA-N	1	0	370.501	1.635	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)NC(C)=O)C[C@H]1c1cn(C)cn1	ZINC001130717448	940010114	/nfs/dbraw/zinc/01/01/14/940010114.db2.gz	LEXNYNPBKNIQKO-XYJFISCASA-N	1	0	361.490	1.041	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)cc2)C[C@H]1c1cn(C)cn1	ZINC001130723634	940028449	/nfs/dbraw/zinc/02/84/49/940028449.db2.gz	SJYPXMBCDBPJKI-FUHWJXTLSA-N	1	0	367.453	1.293	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CNC(=O)C(C)(C)C)C[C@H]1c1cn(C)cn1	ZINC001130725936	940030395	/nfs/dbraw/zinc/03/03/95/940030395.db2.gz	HSHJNLAWFVWOLC-GOEBONIOSA-N	1	0	361.490	1.043	20	30		FDEDRO
C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000806737213	940032405	/nfs/dbraw/zinc/03/24/05/940032405.db2.gz	QLWVJKSMNRDFOJ-YJBOKZPZSA-N	1	0	363.458	1.723	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCn2ccnc2)C[C@H]1c1cn(C)cn1	ZINC001130739606	940041226	/nfs/dbraw/zinc/04/12/26/940041226.db2.gz	GZFKBXIDVIUYTP-FUHWJXTLSA-N	1	0	356.474	1.557	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@@H]2COC(=O)NC)CC1	ZINC000806744576	940043445	/nfs/dbraw/zinc/04/34/45/940043445.db2.gz	FHQGERQVXQGMMI-MRXNPFEDSA-N	1	0	352.479	1.947	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(C)(F)F)n2)O1	ZINC001130749384	940055207	/nfs/dbraw/zinc/05/52/07/940055207.db2.gz	GHHVMHBYSSIAFS-NWDGAFQWSA-N	1	0	357.405	1.852	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(F)cc3)n2)O1	ZINC001130749681	940056656	/nfs/dbraw/zinc/05/66/56/940056656.db2.gz	MEGOKKHYZDZOQC-LSDHHAIUSA-N	1	0	359.405	1.870	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COCCC)n2)O1	ZINC001130759998	940087681	/nfs/dbraw/zinc/08/76/81/940087681.db2.gz	UFCMNZAYZZJYGW-LSDHHAIUSA-N	1	0	365.478	1.623	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CO[C@@H](C)CC)n2)O1	ZINC001130775461	940093596	/nfs/dbraw/zinc/09/35/96/940093596.db2.gz	WYFSSNKQOLRMSL-SOUVJXGZSA-N	1	0	365.478	1.622	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](CC)OCC)n2)O1	ZINC001130764985	940094230	/nfs/dbraw/zinc/09/42/30/940094230.db2.gz	BGXHXHQLMPQQTH-RRFJBIMHSA-N	1	0	363.462	1.069	20	30		FDEDRO
C=CCOCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCC(=C)C)O2)n[nH]1	ZINC001130769583	940107042	/nfs/dbraw/zinc/10/70/42/940107042.db2.gz	KPUPSSPPVZTGCR-LSDHHAIUSA-N	1	0	363.462	1.399	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCOCC3CC3)n2)O1	ZINC001130785431	940120043	/nfs/dbraw/zinc/12/00/43/940120043.db2.gz	MDCHWWDVYSPQGQ-LSDHHAIUSA-N	1	0	363.462	1.233	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@](C)(O)C=C)n2)O1	ZINC001130778054	940131140	/nfs/dbraw/zinc/13/11/40/940131140.db2.gz	CMPVQFGGOMOVOH-PMUMKWKESA-N	1	0	363.462	1.134	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3C[C@@H]3C(F)F)n2)O1	ZINC001130781021	940135594	/nfs/dbraw/zinc/13/55/94/940135594.db2.gz	LDWZCEKCTNKERK-ZDEQEGDKSA-N	1	0	369.416	1.708	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc[nH]c3CC)n2)O1	ZINC001130781257	940136973	/nfs/dbraw/zinc/13/69/73/940136973.db2.gz	VWAMMPKNVRBMBZ-SWLSCSKDSA-N	1	0	356.430	1.068	20	30		FDEDRO
CC(C)C#CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC[C@@H](C)F)O2)n[nH]1	ZINC001130783116	940142329	/nfs/dbraw/zinc/14/23/29/940142329.db2.gz	KSCMBUBPSABOBL-QLFBSQMISA-N	1	0	365.453	1.638	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(CCF)CC3)n2)O1	ZINC001130793849	940144094	/nfs/dbraw/zinc/14/40/94/940144094.db2.gz	CMSHTMGJPMJICX-QWHCGFSZSA-N	1	0	351.426	1.556	20	30		FDEDRO
C=C(C)CCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C[C@@H](C)OC)O2)n[nH]1	ZINC001130787431	940156346	/nfs/dbraw/zinc/15/63/46/940156346.db2.gz	QINAYPDRHIRXKU-QLFBSQMISA-N	1	0	365.478	1.622	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3onc(C)c3C)n2)O1	ZINC001130790184	940162603	/nfs/dbraw/zinc/16/26/03/940162603.db2.gz	LORPCQWDCNNWQX-QWHCGFSZSA-N	1	0	360.418	1.335	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCC(F)F)n2)O1	ZINC001130792427	940170039	/nfs/dbraw/zinc/17/00/39/940170039.db2.gz	DKLJJYQECIJHFZ-NWDGAFQWSA-N	1	0	355.389	1.299	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3C[C@H]3c3ccco3)n2)O1	ZINC001130807148	940181709	/nfs/dbraw/zinc/18/17/09/940181709.db2.gz	QTPWXKHHUCCBJX-DSJMHWKBSA-N	1	0	369.425	1.261	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](CCC)C(C)C)n2)O1	ZINC001130809226	940186557	/nfs/dbraw/zinc/18/65/57/940186557.db2.gz	MXEPKKLJZXODRF-HRCADAONSA-N	1	0	361.490	1.936	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NCc2ccn3ccnc3c2)cc1C#N	ZINC000806986390	940200304	/nfs/dbraw/zinc/20/03/04/940200304.db2.gz	KGYMCJNEUNTBPS-UHFFFAOYSA-N	1	0	363.377	1.147	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)CC(C)(C)C)n2)O1	ZINC001130813837	940213400	/nfs/dbraw/zinc/21/34/00/940213400.db2.gz	ZIXKVHKIUDZVDK-QLFBSQMISA-N	1	0	361.490	1.936	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C)c(CC)o3)n2)O1	ZINC001130817229	940220742	/nfs/dbraw/zinc/22/07/42/940220742.db2.gz	HEVKGDPWEZRATR-DZGCQCFKSA-N	1	0	371.441	1.641	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@@H](C)OC)C1	ZINC001130948290	940346500	/nfs/dbraw/zinc/34/65/00/940346500.db2.gz	DKBVRDDDSHUDCZ-BRWVUGGUSA-N	1	0	364.490	1.322	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCOC)C1	ZINC001130946195	940357602	/nfs/dbraw/zinc/35/76/02/940357602.db2.gz	MGPWJJSHVIKJKJ-IAGOWNOFSA-N	1	0	364.490	1.323	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnoc2C)C1	ZINC001130978103	940409341	/nfs/dbraw/zinc/40/93/41/940409341.db2.gz	RBADMDMKVMTXMB-IAGOWNOFSA-N	1	0	355.442	1.604	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)nn2C)C[C@H]1c1cncn1C	ZINC001131006267	940433052	/nfs/dbraw/zinc/43/30/52/940433052.db2.gz	VAIQSSGMNVSKFB-NVXWUHKLSA-N	1	0	368.485	1.805	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCCOC)C2)CCC1	ZINC001131008193	940434811	/nfs/dbraw/zinc/43/48/11/940434811.db2.gz	WMNKZOUDSVVTJS-IAGOWNOFSA-N	1	0	358.486	1.534	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccnc(OC)c2)C[C@H]1c1cncn1C	ZINC001131022643	940456108	/nfs/dbraw/zinc/45/61/08/940456108.db2.gz	DTJRNWJZDQEZPT-HZPDHXFCSA-N	1	0	353.426	1.045	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn(C(C)(C)C)c2)C[C@H]1c1cncn1C	ZINC001131022996	940456449	/nfs/dbraw/zinc/45/64/49/940456449.db2.gz	MZDXUSCAFMZVBY-IAGOWNOFSA-N	1	0	368.485	1.593	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3cnccc3o2)C[C@H]1c1cncn1C	ZINC001131023287	940456619	/nfs/dbraw/zinc/45/66/19/940456619.db2.gz	WCZXLMCDDROIPQ-HZPDHXFCSA-N	1	0	363.421	1.782	20	30		FDEDRO
C#CCC(CC#C)C(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1	ZINC000807687521	940457318	/nfs/dbraw/zinc/45/73/18/940457318.db2.gz	RUWYSZQKNDBNRB-UHFFFAOYSA-N	1	0	351.494	1.925	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(COC)o2)C[C@H]1c1cncn1C	ZINC001131025876	940459018	/nfs/dbraw/zinc/45/90/18/940459018.db2.gz	HTIFBYNSAZWSAR-HZPDHXFCSA-N	1	0	358.442	1.933	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)nc2)C[C@H]1c1cncn1C	ZINC001131025881	940459021	/nfs/dbraw/zinc/45/90/21/940459021.db2.gz	IDULTTRUNAJKJL-HZPDHXFCSA-N	1	0	355.442	1.598	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CC)C1	ZINC001131040102	940468084	/nfs/dbraw/zinc/46/80/84/940468084.db2.gz	LQUZOGJDJFYKLM-MBOZVWFJSA-N	1	0	358.486	1.556	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCn2cccn2)C1	ZINC001131057724	940478016	/nfs/dbraw/zinc/47/80/16/940478016.db2.gz	UYDKFLWFHGJEOT-RCCFBDPRSA-N	1	0	370.501	1.803	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](OC)C(C)C)C[C@H]1c1cncn1C	ZINC001131057920	940478139	/nfs/dbraw/zinc/47/81/39/940478139.db2.gz	YXFGDQJQWBDKSM-JFIYKMOQSA-N	1	0	364.490	1.178	20	30		FDEDRO
N#C[C@@H](Nc1ncccc1C1(C#N)CC[NH+](Cc2ccccc2)CC1)C(N)=O	ZINC001170533276	940478285	/nfs/dbraw/zinc/47/82/85/940478285.db2.gz	ZAHREFHWZIEQGZ-GOSISDBHSA-N	1	0	374.448	1.928	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CCOC)C1	ZINC001131055646	940481622	/nfs/dbraw/zinc/48/16/22/940481622.db2.gz	GJWBVRIRLAKTSY-RCCFBDPRSA-N	1	0	358.486	1.556	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccnc(OCC)c2)C[C@H]1c1cncn1C	ZINC001131067926	940483190	/nfs/dbraw/zinc/48/31/90/940483190.db2.gz	BMBKRTGCNRCKHG-IAGOWNOFSA-N	1	0	367.453	1.435	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cn2cc(Cl)cn2)C[C@H]1c1cncn1C	ZINC001131079834	940487321	/nfs/dbraw/zinc/48/73/21/940487321.db2.gz	XJOPUBPWODBYOZ-HUUCEWRRSA-N	1	0	362.865	1.430	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccn(C(C)C)n2)C[C@H]1c1cncn1C	ZINC001131082409	940488033	/nfs/dbraw/zinc/48/80/33/940488033.db2.gz	PUPSVGMLDYRXMM-NVXWUHKLSA-N	1	0	354.458	1.419	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2cscn2)C[C@H]1c1cncn1C	ZINC001131083865	940489162	/nfs/dbraw/zinc/48/91/62/940489162.db2.gz	FWYSZRUZXNBELU-HZPDHXFCSA-N	1	0	359.499	1.970	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(OC)c2C)C[C@H]1c1cncn1C	ZINC001131075983	940491260	/nfs/dbraw/zinc/49/12/60/940491260.db2.gz	CRLOQGOANXNEKM-QZTJIDSGSA-N	1	0	366.465	1.958	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cn(CCC)nn2)C[C@H]1c1cncn1C	ZINC001131098637	940492953	/nfs/dbraw/zinc/49/29/53/940492953.db2.gz	ILSAWXIGTBKDMH-HZPDHXFCSA-N	1	0	371.489	1.586	20	30		FDEDRO
C=CCN(C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(C)C	ZINC000807918848	940495428	/nfs/dbraw/zinc/49/54/28/940495428.db2.gz	FMUGYOKLSODDQV-SFHVURJKSA-N	1	0	359.470	1.292	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(CC)nn2C)C[C@H]1c1cncn1C	ZINC001131093820	940496524	/nfs/dbraw/zinc/49/65/24/940496524.db2.gz	MCYZGPNXOWCIBN-IAGOWNOFSA-N	1	0	370.501	1.880	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+][C@H](C)COC)C2)nc1	ZINC001131110084	940503472	/nfs/dbraw/zinc/50/34/72/940503472.db2.gz	BLIDDRUQGWUBBZ-QGPMSJSTSA-N	1	0	367.453	1.029	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2c(C)noc2C)C[C@H]1c1cncn1C	ZINC001131121082	940506515	/nfs/dbraw/zinc/50/65/15/940506515.db2.gz	MDANTRSVIPHFMX-IAGOWNOFSA-N	1	0	357.458	1.728	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCCn2cccn2)C[C@H]1c1cncn1C	ZINC001131123516	940506943	/nfs/dbraw/zinc/50/69/43/940506943.db2.gz	IUTMJIJSBLQTMA-QZTJIDSGSA-N	1	0	370.501	1.947	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCOc2ccccc2)C[C@H]1c1cncn1C	ZINC001131123779	940507205	/nfs/dbraw/zinc/50/72/05/940507205.db2.gz	URUWQRMLCCFAOP-QZTJIDSGSA-N	1	0	352.438	1.406	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCc2ccccn2)C[C@H]1c1cncn1C	ZINC001131115321	940508796	/nfs/dbraw/zinc/50/87/96/940508796.db2.gz	KTSOLILUELOABZ-QZTJIDSGSA-N	1	0	353.470	1.908	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cnn(C)c2)C[C@H]1c1cncn1C	ZINC001131138633	940509513	/nfs/dbraw/zinc/50/95/13/940509513.db2.gz	MFMMZCIPMFSJDT-KBAYOESNSA-N	1	0	370.501	1.808	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)COCCOCC)C[C@H]1c1cncn1C	ZINC001131130678	940511536	/nfs/dbraw/zinc/51/15/36/940511536.db2.gz	YDQPSUSDVSXHKI-IAGOWNOFSA-N	1	0	364.490	1.323	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC23CCOCC3)C[C@H]1c1cncn1C	ZINC001131136482	940513447	/nfs/dbraw/zinc/51/34/47/940513447.db2.gz	PBTLTNKPMBVHFH-BRWVUGGUSA-N	1	0	356.470	1.144	20	30		FDEDRO
CON=Cc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)cc1	ZINC000808138399	940521461	/nfs/dbraw/zinc/52/14/61/940521461.db2.gz	NMRGOOXLBBPDKH-QGZVFWFLSA-N	1	0	358.442	1.092	20	30		FDEDRO
CN1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)C1	ZINC001086664291	940545987	/nfs/dbraw/zinc/54/59/87/940545987.db2.gz	HLPNLKCHNDUDCS-IPMKNSEASA-N	1	0	356.470	1.263	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCOC(C)C)C1	ZINC001131301024	940546769	/nfs/dbraw/zinc/54/67/69/940546769.db2.gz	JBMBOJGRUOLWDW-BBWFWOEESA-N	1	0	365.474	1.484	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CC4CCC4)C[C@H]32)C1	ZINC001131307586	940549326	/nfs/dbraw/zinc/54/93/26/940549326.db2.gz	XPMMJADZAMUROK-ZACQAIPSSA-N	1	0	363.458	1.095	20	30		FDEDRO
C#CCC1(C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[N@@H+](C(C)C)C[C@H]43)C2)CCC1	ZINC001131310223	940550012	/nfs/dbraw/zinc/55/00/12/940550012.db2.gz	MCPIZNBRWQBTTA-BBWFWOEESA-N	1	0	359.470	1.694	20	30		FDEDRO
C=CCCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2OCC[C@H]2CC)CC1	ZINC001131364427	940556741	/nfs/dbraw/zinc/55/67/41/940556741.db2.gz	PNOFJDYTSBKPSR-AEFFLSMTSA-N	1	0	351.491	1.418	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2OCC[C@H]2CC)CC1	ZINC001131364694	940556769	/nfs/dbraw/zinc/55/67/69/940556769.db2.gz	VOEKSUZFTNIUJX-LMMKCTJWSA-N	1	0	365.518	1.807	20	30		FDEDRO
COc1nccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n1	ZINC001086668552	940563363	/nfs/dbraw/zinc/56/33/63/940563363.db2.gz	SNCYJZPQLZIPEN-GXTWGEPZSA-N	1	0	354.414	1.373	20	30		FDEDRO
COc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n1	ZINC001086667896	940565182	/nfs/dbraw/zinc/56/51/82/940565182.db2.gz	AKMZCZFBVKLEAH-DZGCQCFKSA-N	1	0	353.426	1.978	20	30		FDEDRO
CCCn1c(C)nnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1	ZINC001086668019	940565310	/nfs/dbraw/zinc/56/53/10/940565310.db2.gz	DPZTYJLKNSSFCA-GOEBONIOSA-N	1	0	369.473	1.885	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCn2cncn2)CC1	ZINC001131424534	940566668	/nfs/dbraw/zinc/56/66/68/940566668.db2.gz	MWZRJNNHWYYWFQ-MJGOQNOKSA-N	1	0	361.490	1.620	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc[n+]([O-])cc2)CC1	ZINC001131417162	940567798	/nfs/dbraw/zinc/56/77/98/940567798.db2.gz	YEGPFEVQGGXKKL-MOPGFXCFSA-N	1	0	359.470	1.886	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCC)CC1	ZINC001131441977	940591584	/nfs/dbraw/zinc/59/15/84/940591584.db2.gz	FFKWGRZFVQFYEI-QRQLOZEOSA-N	1	0	368.518	1.990	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H]2CCCO2)CC1	ZINC001131437089	940600394	/nfs/dbraw/zinc/60/03/94/940600394.db2.gz	KZJHYCFOMMJTHT-GGPKGHCWSA-N	1	0	366.502	1.744	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H](C)OC)CC1	ZINC001131451525	940605290	/nfs/dbraw/zinc/60/52/90/940605290.db2.gz	OOGBYLSLKUPYBD-WDYCEAGBSA-N	1	0	352.475	1.047	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)COC)CC1	ZINC001131453949	940607226	/nfs/dbraw/zinc/60/72/26/940607226.db2.gz	GJVYMGRSMLKQJA-JQHSSLGASA-N	1	0	354.491	1.457	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(F)=C(C)C)CC1	ZINC001131467847	940624363	/nfs/dbraw/zinc/62/43/63/940624363.db2.gz	UADIJQDNZIXMIK-AEFFLSMTSA-N	1	0	352.450	1.885	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)n2cncn2)CC1	ZINC001131470625	940626184	/nfs/dbraw/zinc/62/61/84/940626184.db2.gz	LRWRGGWUTOFKJE-JQHSSLGASA-N	1	0	361.490	1.791	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CCOCC2)CC1	ZINC001131470722	940626572	/nfs/dbraw/zinc/62/65/72/940626572.db2.gz	QBKIWJVKZYCBFP-QUCCMNQESA-N	1	0	365.518	1.271	20	30		FDEDRO
C#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(=O)N(C)C)CC1	ZINC001131487803	940631193	/nfs/dbraw/zinc/63/11/93/940631193.db2.gz	GOWKVWLGSOSQKT-WDYCEAGBSA-N	1	0	363.502	1.252	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCC(=O)NC)CC1	ZINC001131480066	940636258	/nfs/dbraw/zinc/63/62/58/940636258.db2.gz	CLFJTCWOWMISDX-APWZRJJASA-N	1	0	351.491	1.465	20	30		FDEDRO
C#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cnnn2C)CC1	ZINC001131483178	940638766	/nfs/dbraw/zinc/63/87/66/940638766.db2.gz	RPPGRYMVSNAFDU-MJGOQNOKSA-N	1	0	359.474	1.104	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC2(F)F)CC1	ZINC001131493395	940643695	/nfs/dbraw/zinc/64/36/95/940643695.db2.gz	ABLNZDXMEDHXDQ-OAGGEKHMSA-N	1	0	358.429	1.830	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2nnc(C)[nH]2)CC1	ZINC001131493566	940644079	/nfs/dbraw/zinc/64/40/79/940644079.db2.gz	IOFCIIAKIBVTQM-APWZRJJASA-N	1	0	361.490	1.608	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCc3cn[nH]c32)CC1	ZINC001131495766	940647035	/nfs/dbraw/zinc/64/70/35/940647035.db2.gz	DHSNZRWJYRSRFO-NSHGMRRFSA-N	1	0	370.497	1.839	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(=O)n(C)o2)CC1	ZINC001131496127	940647502	/nfs/dbraw/zinc/64/75/02/940647502.db2.gz	QACVNIYIIZYSTB-QAPCUYQASA-N	1	0	363.458	1.544	20	30		FDEDRO
C#CCOCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC[C@@H](C)F)CC1	ZINC001131498678	940648960	/nfs/dbraw/zinc/64/89/60/940648960.db2.gz	JKWYLNKLIGGBMH-SUMDDJOVSA-N	1	0	354.466	1.760	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(C)CC2)CC1	ZINC001131503375	940653506	/nfs/dbraw/zinc/65/35/06/940653506.db2.gz	ZYUWNBLOCWPYQO-UAGQMJEPSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1)OCC	ZINC001131510438	940659470	/nfs/dbraw/zinc/65/94/70/940659470.db2.gz	INIDECKGXNEOBG-LMMKCTJWSA-N	1	0	354.491	1.336	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	ZINC001131505801	940664985	/nfs/dbraw/zinc/66/49/85/940664985.db2.gz	BIENVSDIIHRYFW-LUKYLMHMSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N(C)C)CC1	ZINC001131506514	940668295	/nfs/dbraw/zinc/66/82/95/940668295.db2.gz	CEBSKHHNFHIMJA-APWZRJJASA-N	1	0	365.518	1.663	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(C(N)=O)o2)CC1	ZINC001131528359	940698379	/nfs/dbraw/zinc/69/83/79/940698379.db2.gz	UNGGPZMHDSUJIW-PBHICJAKSA-N	1	0	359.426	1.001	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2ccc(=O)[nH]c2)CC1	ZINC001131533640	940704294	/nfs/dbraw/zinc/70/42/94/940704294.db2.gz	PVHYTTMWDAKYLT-XLIONFOSSA-N	1	0	359.470	1.892	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1	ZINC001131533558	940704330	/nfs/dbraw/zinc/70/43/30/940704330.db2.gz	MDKSMRIZWPXRHS-SXJNSPEGSA-N	1	0	358.482	1.419	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCn3nccc32)CC1	ZINC001131522297	940705067	/nfs/dbraw/zinc/70/50/67/940705067.db2.gz	AWIVHRMAUZXVOP-NSHGMRRFSA-N	1	0	370.497	1.770	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCc3nccn3C2)CC1	ZINC001131522374	940705471	/nfs/dbraw/zinc/70/54/71/940705471.db2.gz	DSXLZGWZSXSMCS-GGPKGHCWSA-N	1	0	370.497	1.455	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCF)CC1	ZINC001131543653	940719623	/nfs/dbraw/zinc/71/96/23/940719623.db2.gz	NDVUTBSGGGPNDB-QAPCUYQASA-N	1	0	355.454	1.024	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn3cccnc23)CC1	ZINC001131543991	940720049	/nfs/dbraw/zinc/72/00/49/940720049.db2.gz	YSEARLVBZOXQEN-MSOLQXFVSA-N	1	0	369.469	1.905	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2coc(C(N)=O)c2)CC1	ZINC001131535857	940725202	/nfs/dbraw/zinc/72/52/02/940725202.db2.gz	PQQUPRSHPHZSNT-WBVHZDCISA-N	1	0	359.426	1.001	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(CCC)n[nH]2)CC1	ZINC001131538383	940726367	/nfs/dbraw/zinc/72/63/67/940726367.db2.gz	MRRFDDOAVHKZSI-MJGOQNOKSA-N	1	0	358.486	1.985	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)NC(=O)C(C)(C)C)CC1	ZINC001131538658	940726713	/nfs/dbraw/zinc/72/67/13/940726713.db2.gz	RIRXJVAODZDMGS-UAGQMJEPSA-N	1	0	363.502	1.156	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2conc2C)CC1	ZINC001131555819	940731023	/nfs/dbraw/zinc/73/10/23/940731023.db2.gz	YIMQLHOJNDWFMK-MSOLQXFVSA-N	1	0	363.458	1.785	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCN(C)C2=O)CC1	ZINC001131547798	940736816	/nfs/dbraw/zinc/73/68/16/940736816.db2.gz	CZGICVVQTLQZKM-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2ccc(OC)cn2)CC1	ZINC001131549919	940738538	/nfs/dbraw/zinc/73/85/38/940738538.db2.gz	GMLDVZTWGDTKMM-CTNGQTDRSA-N	1	0	371.481	1.642	20	30		FDEDRO
CC[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2NCC#N)CC1)[NH+](CC)CC	ZINC001131564696	940740988	/nfs/dbraw/zinc/74/09/88/940740988.db2.gz	QWBGGXLESDJBRQ-SQNIBIBYSA-N	1	0	350.507	1.616	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC23CC3)CC1	ZINC001131570887	940746511	/nfs/dbraw/zinc/74/65/11/940746511.db2.gz	RVWJINCCQMOBPA-NUJGCVRESA-N	1	0	361.486	1.074	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnc3cccnn32)CC1	ZINC001131574760	940751593	/nfs/dbraw/zinc/75/15/93/940751593.db2.gz	IDRKZRJIMUSJSY-APWZRJJASA-N	1	0	367.453	1.352	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)OCCOC)CC1	ZINC001131577894	940755212	/nfs/dbraw/zinc/75/52/12/940755212.db2.gz	HSSKQXGYRCUGOG-NXHRZFHOSA-N	1	0	354.491	1.600	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCCCOC)CC1	ZINC001131590441	940759868	/nfs/dbraw/zinc/75/98/68/940759868.db2.gz	BAMPENOTOZMLNW-QUCCMNQESA-N	1	0	368.518	1.991	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc3nccn3c2)CC1	ZINC001131593055	940764427	/nfs/dbraw/zinc/76/44/27/940764427.db2.gz	KDOALHITNGWWCN-QUCCMNQESA-N	1	0	366.465	1.957	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn(CC)c2C)CC1	ZINC001131583184	940769284	/nfs/dbraw/zinc/76/92/84/940769284.db2.gz	UOFWZWMFJVGOAD-MOPGFXCFSA-N	1	0	358.486	1.834	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)[C@@H](C)CC)CC1	ZINC001131604788	940774333	/nfs/dbraw/zinc/77/43/33/940774333.db2.gz	HAEFLVMFENFFRU-WDYCEAGBSA-N	1	0	365.518	1.711	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c(C)nn(C)c2F)CC1	ZINC001131600093	940783992	/nfs/dbraw/zinc/78/39/92/940783992.db2.gz	XDXVYJWUMNFCPU-WBVHZDCISA-N	1	0	362.449	1.490	20	30		FDEDRO
COc1ccc([C@@H](O)C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1	ZINC000809204030	940784384	/nfs/dbraw/zinc/78/43/84/940784384.db2.gz	MPBBGDMJXYNKPB-INIZCTEOSA-N	1	0	361.423	1.059	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H](O)c2ccc(Cl)cc2)nc1	ZINC000809204062	940784442	/nfs/dbraw/zinc/78/44/42/940784442.db2.gz	NIUCCTPEANYAFH-OAHLLOKOSA-N	1	0	365.842	1.704	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCC(=O)N2C)CC1	ZINC001131602307	940785697	/nfs/dbraw/zinc/78/56/97/940785697.db2.gz	RWIQBTQRXZJBCR-AOIWGVFYSA-N	1	0	361.486	1.006	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCn2cc(C)cn2)CC1	ZINC001131610371	940790332	/nfs/dbraw/zinc/79/03/32/940790332.db2.gz	NMKAQHJYTFNRJU-QUCCMNQESA-N	1	0	358.486	1.591	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)c1	ZINC000809866097	940913338	/nfs/dbraw/zinc/91/33/38/940913338.db2.gz	KPVFSADCSUHGCG-UHFFFAOYSA-N	1	0	358.417	1.304	20	30		FDEDRO
CC(C)N1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1=O	ZINC001086677374	940954846	/nfs/dbraw/zinc/95/48/46/940954846.db2.gz	SIHYEJQODVKPAM-LXZKKBNFSA-N	1	0	357.458	1.384	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(F)cn3)C2)C1=O	ZINC001086680428	941025595	/nfs/dbraw/zinc/02/55/95/941025595.db2.gz	RWHQTLGYIHGMCE-LXZKKBNFSA-N	1	0	360.433	1.496	20	30		FDEDRO
N#CCOc1cccc(CC(=O)O[C@@H]2CCCN(c3cc[nH+]c(N)n3)C2)c1	ZINC000810763656	941053595	/nfs/dbraw/zinc/05/35/95/941053595.db2.gz	CQADCLUAXBYOBT-MRXNPFEDSA-N	1	0	367.409	1.716	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000810848319	941067634	/nfs/dbraw/zinc/06/76/34/941067634.db2.gz	SKICDXZGUYNVHW-HZPDHXFCSA-N	1	0	362.451	1.382	20	30		FDEDRO
Cn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(C#N)ccc3F)C2)nn1	ZINC001086689391	941097732	/nfs/dbraw/zinc/09/77/32/941097732.db2.gz	NDEYMEDZMMUAIT-DZGCQCFKSA-N	1	0	356.405	1.514	20	30		FDEDRO
C[N@H+](CCC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O)C1CCCCC1	ZINC001090505051	941116566	/nfs/dbraw/zinc/11/65/66/941116566.db2.gz	JGVQEFSURVHSMQ-IEBWSBKVSA-N	1	0	371.485	1.274	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000811530525	941138882	/nfs/dbraw/zinc/13/88/82/941138882.db2.gz	JLEPGNFKCVXVAO-HNAYVOBHSA-N	1	0	367.490	1.467	20	30		FDEDRO
Cc1cc(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)ncc1C#N	ZINC001132910285	941145091	/nfs/dbraw/zinc/14/50/91/941145091.db2.gz	CAECUOQWGMFLSS-UHFFFAOYSA-N	1	0	355.442	1.208	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCc2ccnn2C)C1	ZINC001086699011	941170145	/nfs/dbraw/zinc/17/01/45/941170145.db2.gz	NYJUUWJNIHRQFX-ISARSNTHSA-N	1	0	360.502	1.818	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)NCC2(SC)CC[NH+](C)CC2)n1	ZINC000811941526	941173846	/nfs/dbraw/zinc/17/38/46/941173846.db2.gz	HQRWRMCZQAKVCG-UHFFFAOYSA-N	1	0	363.531	1.875	20	30		FDEDRO
C#C[C@@H](CCC)NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1	ZINC000812121781	941182989	/nfs/dbraw/zinc/18/29/89/941182989.db2.gz	CMZITYBMTALZEE-INIZCTEOSA-N	1	0	350.507	1.714	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@]23C[C@H]2COC3)C1	ZINC001086701211	941183271	/nfs/dbraw/zinc/18/32/71/941183271.db2.gz	JMSGTKHMOHIOLZ-JWVYWZTKSA-N	1	0	369.465	1.978	20	30		FDEDRO
C[C@@H]1CNC(NN=C2CCN(C(=O)OC(C)(C)C)C[C@@H]2[C@H]2CCOC2)=[NH+]1	ZINC000812227458	941187289	/nfs/dbraw/zinc/18/72/89/941187289.db2.gz	CZACVHGIXLAYJR-HZSPNIEDSA-N	1	0	365.478	1.573	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H]4C[N@H+](C)CC[C@@H]4C3)cc2C1=O	ZINC000812331279	941193353	/nfs/dbraw/zinc/19/33/53/941193353.db2.gz	FBMGKGWBGSIILK-CABCVRRESA-N	1	0	353.422	1.492	20	30		FDEDRO
COc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)CCCC#N)CC2)cc1	ZINC000812615511	941241281	/nfs/dbraw/zinc/24/12/81/941241281.db2.gz	HLTXJFOEJWNKCV-UHFFFAOYSA-N	1	0	373.453	1.967	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C)nc(C)c3)C2)C1=O	ZINC001086707007	941268999	/nfs/dbraw/zinc/26/89/99/941268999.db2.gz	CUGKUZBPMIAXSI-UHOSZYNNSA-N	1	0	370.497	1.973	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(OCC)cc2)CC1	ZINC000747816566	941274203	/nfs/dbraw/zinc/27/42/03/941274203.db2.gz	IPYINUVAKJCISW-QGZVFWFLSA-N	1	0	360.454	1.286	20	30		FDEDRO
C[N@H+](CC(=O)NC1(C#N)CCC1)[C@H](CNC(=O)OC(C)(C)C)C1CC1	ZINC000812834954	941281192	/nfs/dbraw/zinc/28/11/92/941281192.db2.gz	XXOHCQXUIFYXIR-CQSZACIVSA-N	1	0	350.463	1.784	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)CC1	ZINC000812839929	941282770	/nfs/dbraw/zinc/28/27/70/941282770.db2.gz	CYTHCNKKVMLVBW-VNTMZGSJSA-N	1	0	361.530	1.415	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)CC1	ZINC000747825251	941287974	/nfs/dbraw/zinc/28/79/74/941287974.db2.gz	VURQYYWMYGLUOD-GJZGRUSLSA-N	1	0	359.445	1.853	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)c1ccc(F)cc1	ZINC000813041459	941314701	/nfs/dbraw/zinc/31/47/01/941314701.db2.gz	LFNRSEGDEGQRFY-INIZCTEOSA-N	1	0	363.352	1.836	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCCNc2ncccc2C#N)CC[N@@H+](C2CCC2)C1	ZINC000813601775	941418329	/nfs/dbraw/zinc/41/83/29/941418329.db2.gz	CHAWOQJJZUZIEY-HNNXBMFYSA-N	1	0	356.474	1.881	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCc1ccc(Cl)cc1	ZINC001134049314	941537522	/nfs/dbraw/zinc/53/75/22/941537522.db2.gz	BGOIKOHTRSFMQC-CVEARBPZSA-N	1	0	365.861	1.253	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NCC1CCCCC1	ZINC001134061902	941540424	/nfs/dbraw/zinc/54/04/24/941540424.db2.gz	IVFUXDOEEBFXGG-OIISXLGYSA-N	1	0	351.491	1.368	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)Nc1c(C)cccc1C	ZINC001134062250	941540725	/nfs/dbraw/zinc/54/07/25/941540725.db2.gz	UPLIKYJEPKFLQH-BBWFWOEESA-N	1	0	359.470	1.927	20	30		FDEDRO
Cn1nccc1-c1ccccc1C[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000814291809	941608818	/nfs/dbraw/zinc/60/88/18/941608818.db2.gz	ZQNCVFWRIXXBDH-HNENSFHCSA-N	1	0	351.410	1.703	20	30		FDEDRO
CC(=NNc1ccc(S(N)(=O)=O)cc1)c1ccc2c(c1)CC[NH2+]CC2	ZINC000814680989	941701616	/nfs/dbraw/zinc/70/16/16/941701616.db2.gz	RIHYPFOCHVVNGU-UHFFFAOYSA-N	1	0	358.467	1.858	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)N(CC)Cc2ccccc2)CC1	ZINC000747968420	941702710	/nfs/dbraw/zinc/70/27/10/941702710.db2.gz	HMEQOOHTRKOJRX-KRWDZBQOSA-N	1	0	355.482	1.885	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NCC2([NH+](C)C)CCCCCC2)CC1	ZINC000747979219	941726011	/nfs/dbraw/zinc/72/60/11/941726011.db2.gz	FBTXTSZXWZYZCC-UHFFFAOYSA-N	1	0	362.518	1.812	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cn[nH]c(=O)c3)C2)ccc1F	ZINC001086724976	941727992	/nfs/dbraw/zinc/72/79/92/941727992.db2.gz	BZPRTOVFBNAHLW-XJKSGUPXSA-N	1	0	369.400	1.881	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1	ZINC000747983714	941729700	/nfs/dbraw/zinc/72/97/00/941729700.db2.gz	KJQRGCCJJUUOLA-MRXNPFEDSA-N	1	0	362.518	1.668	20	30		FDEDRO
CCOC(=O)c1ccc(S(=O)(=O)NN=C(C)C2CC[NH+](C)CC2)cc1	ZINC000814880584	941735193	/nfs/dbraw/zinc/73/51/93/941735193.db2.gz	INMQLJMRONHQCH-UHFFFAOYSA-N	1	0	367.471	1.859	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCCC(=O)N3)C2)cc1	ZINC001086726462	941770821	/nfs/dbraw/zinc/77/08/21/941770821.db2.gz	GBBXJOCJFGAAPV-RCCFBDPRSA-N	1	0	354.454	1.601	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)Nc1cc(C)no1	ZINC001135052873	941878945	/nfs/dbraw/zinc/87/89/45/941878945.db2.gz	SMDMJLWASPTBBH-YCPHGPKFSA-N	1	0	364.446	1.387	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)c1ccccc1F	ZINC001135067919	941883718	/nfs/dbraw/zinc/88/37/18/941883718.db2.gz	RQSCIJGTQRFOEX-JQHSSLGASA-N	1	0	350.434	1.936	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NCc1ccco1	ZINC001135067891	941884026	/nfs/dbraw/zinc/88/40/26/941884026.db2.gz	QETBXKZSZXYSHV-XIRDDKMYSA-N	1	0	363.458	1.361	20	30		FDEDRO
C=CCCONC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C	ZINC000856033161	970856347	/nfs/dbraw/zinc/85/63/47/970856347.db2.gz	ZZEAPVLMAAKGST-UHFFFAOYSA-N	1	0	369.487	1.463	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(NC(=O)C(C)C)cc1	ZINC000815860439	941996367	/nfs/dbraw/zinc/99/63/67/941996367.db2.gz	LNZUZONSDXARDJ-UHFFFAOYSA-N	1	0	358.442	1.291	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(OCC)c2cccnc12	ZINC000815861508	941996973	/nfs/dbraw/zinc/99/69/73/941996973.db2.gz	LXYGOGRCYINXRP-UHFFFAOYSA-N	1	0	368.437	1.643	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)N(CCCC)CC2	ZINC000815861644	941997011	/nfs/dbraw/zinc/99/70/11/941997011.db2.gz	RYWLNAZLXLJBHN-UHFFFAOYSA-N	1	0	370.497	1.859	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cnc3ccc(OC)nn32)C1	ZINC001086736231	942091165	/nfs/dbraw/zinc/09/11/65/942091165.db2.gz	IIKGYWMKYNSFNG-QWHCGFSZSA-N	1	0	363.849	1.979	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1	ZINC001135504981	942132979	/nfs/dbraw/zinc/13/29/79/942132979.db2.gz	KRIHRGXGPSHCRJ-UIAACRFSSA-N	1	0	363.461	1.787	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCC(=O)NC3)C2)cc1	ZINC001086741507	942185189	/nfs/dbraw/zinc/18/51/89/942185189.db2.gz	VJOKHBGHNQNLFU-OKZBNKHCSA-N	1	0	354.454	1.459	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1OCC[C@H]1C(C)C	ZINC001170829764	942242090	/nfs/dbraw/zinc/24/20/90/942242090.db2.gz	WOVNFJTYWRCJAN-RYRKJORJSA-N	1	0	353.507	1.614	20	30		FDEDRO
COc1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)nn1C	ZINC001086752899	942302687	/nfs/dbraw/zinc/30/26/87/942302687.db2.gz	MUWDXGGMJDEQFE-WMLDXEAASA-N	1	0	367.453	1.989	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)ccc1F	ZINC000816949838	942397818	/nfs/dbraw/zinc/39/78/18/942397818.db2.gz	GGPLKJAERHTIEU-ZFWWWQNUSA-N	1	0	367.446	1.066	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2c(C)c(C)nn(C)c2=O)C1	ZINC001086773143	942459502	/nfs/dbraw/zinc/45/95/02/942459502.db2.gz	XFFYGTDQINIYLQ-UONOGXRCSA-N	1	0	352.866	1.638	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)cc1	ZINC001086773981	942462593	/nfs/dbraw/zinc/46/25/93/942462593.db2.gz	OZSHVYVAXSURGZ-PKOBYXMFSA-N	1	0	353.466	1.778	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCNC3=O)C2)c1	ZINC001086777015	942474856	/nfs/dbraw/zinc/47/48/56/942474856.db2.gz	YWNPIKVHUFLVRN-NUEKZKHPSA-N	1	0	358.417	1.208	20	30		FDEDRO
CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cccc([C@@H](C#N)C(=O)OC(C)(C)C)n1	ZINC001170868030	942775076	/nfs/dbraw/zinc/77/50/76/942775076.db2.gz	OUFDLZUFZZLGFP-UMVBOHGHSA-N	1	0	374.441	1.593	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)ccc1F	ZINC000817492250	942795476	/nfs/dbraw/zinc/79/54/76/942795476.db2.gz	WMVJXRLRFRXGHB-AWEZNQCLSA-N	1	0	369.462	1.456	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2nc3c(s2)CC[C@H](C(=O)OC)C3)CC1	ZINC000817465496	942800902	/nfs/dbraw/zinc/80/09/02/942800902.db2.gz	PBVMLYNDGVESGS-ZDUSSCGKSA-N	1	0	361.467	1.705	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCn2nc(C)nc2C)C1	ZINC001086806376	942804062	/nfs/dbraw/zinc/80/40/62/942804062.db2.gz	QFSLGZJUWGOEMP-MLHJIOFPSA-N	1	0	361.490	1.361	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1	ZINC000817786679	942976519	/nfs/dbraw/zinc/97/65/19/942976519.db2.gz	ZASQHSWIRCHXIT-HRAATJIYSA-N	1	0	355.482	1.911	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1	ZINC000817846431	943008701	/nfs/dbraw/zinc/00/87/01/943008701.db2.gz	RSCAHCMIOWKXSX-LJQANCHMSA-N	1	0	353.466	1.761	20	30		FDEDRO
C#CCN(Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000775657461	970958516	/nfs/dbraw/zinc/95/85/16/970958516.db2.gz	ANUUFACLTLGWAL-IBGZPJMESA-N	1	0	361.511	1.061	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CC2(C[NH3+])CC2)c1	ZINC000817922600	943079394	/nfs/dbraw/zinc/07/93/94/943079394.db2.gz	HYPMSYSAWWXCID-HKWRFOASSA-N	1	0	364.471	1.567	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21	ZINC000818174420	943186593	/nfs/dbraw/zinc/18/65/93/943186593.db2.gz	BWSOKNUXSWCVNK-XHSDSOJGSA-N	1	0	352.479	1.134	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[N@H+](CCCc2ccccc2OC)C[C@H]1O	ZINC001195467102	970970150	/nfs/dbraw/zinc/97/01/50/970970150.db2.gz	IXASGRMAQFKKAQ-RTBURBONSA-N	1	0	358.482	1.983	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccc(F)cc2)C[C@H]1O	ZINC001195473689	970977130	/nfs/dbraw/zinc/97/71/30/970977130.db2.gz	PXPAVLBOBGEPTQ-GUDVDZBRSA-N	1	0	362.445	1.084	20	30		FDEDRO
CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]2CC[NH2+]2)c1	ZINC000818466058	943269802	/nfs/dbraw/zinc/26/98/02/943269802.db2.gz	OAORATGJRJIZKE-MPUISCFQSA-N	1	0	364.471	1.580	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)ccc1F	ZINC000818563513	943286453	/nfs/dbraw/zinc/28/64/53/943286453.db2.gz	ODKROCGHNKUVMC-NWDGAFQWSA-N	1	0	355.435	1.099	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1sc2nc3n(c(=O)c2c1C)CCC3	ZINC000818584704	943295132	/nfs/dbraw/zinc/29/51/32/943295132.db2.gz	UYLPJJNSVWNKTB-UHFFFAOYSA-N	1	0	358.467	1.398	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1	ZINC000818612114	943302109	/nfs/dbraw/zinc/30/21/09/943302109.db2.gz	NWUUOTYSMHCPHX-UHFFFAOYSA-N	1	0	350.484	1.483	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1	ZINC000818633709	943312650	/nfs/dbraw/zinc/31/26/50/943312650.db2.gz	UHWBNOGWQHADRQ-AEGPPILISA-N	1	0	354.414	1.670	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@@]1(NC(=O)OCc2ccccc2)CCOC1	ZINC000818593419	943323276	/nfs/dbraw/zinc/32/32/76/943323276.db2.gz	YTFCKMONEWKBMG-HXUWFJFHSA-N	1	0	373.453	1.143	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1	ZINC000818603256	943328198	/nfs/dbraw/zinc/32/81/98/943328198.db2.gz	WITGSDFWNWZZQK-UHFFFAOYSA-N	1	0	362.373	1.665	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000818603020	943328746	/nfs/dbraw/zinc/32/87/46/943328746.db2.gz	LPLKOEDYWKOSBC-HNNXBMFYSA-N	1	0	353.463	1.084	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1	ZINC000818609474	943331094	/nfs/dbraw/zinc/33/10/94/943331094.db2.gz	ZBIOVWBIVRQMKG-SFHVURJKSA-N	1	0	357.454	1.716	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H](C)c3ncccn3)C2)nn1	ZINC001086823683	943368653	/nfs/dbraw/zinc/36/86/53/943368653.db2.gz	QNHFYKBERAKQQO-QLFBSQMISA-N	1	0	355.446	1.503	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nccn3CC)C2)nn1	ZINC001086823296	943385665	/nfs/dbraw/zinc/38/56/65/943385665.db2.gz	WLGSMXFGDYENGK-LSDHHAIUSA-N	1	0	357.462	1.369	20	30		FDEDRO
Cc1nccn1-c1ncccc1C[NH2+]C[C@H](O)COc1ccc(C#N)cc1	ZINC000818970070	943386734	/nfs/dbraw/zinc/38/67/34/943386734.db2.gz	LIPHALGPBXAUFW-SFHVURJKSA-N	1	0	363.421	1.977	20	30		FDEDRO
Cc1cc(C)cc(OC[C@@H](O)C[NH2+]CCNC(=O)C2N=CC=CC2=O)c1	ZINC000819055759	943397347	/nfs/dbraw/zinc/39/73/47/943397347.db2.gz	WTAIJNJMRFWOCJ-MJWGMMHASA-N	1	0	359.426	1.159	20	30		FDEDRO
C[C@@H](CN1CCN(c2ccccn2)CC1)[NH2+]C[C@@H](O)c1ccc(C#N)cc1	ZINC000819080171	943411967	/nfs/dbraw/zinc/41/19/67/943411967.db2.gz	DLMSNITUPXYQBO-FXAWDEMLSA-N	1	0	365.481	1.787	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nccn3C)C2)nn1	ZINC001086824494	943412699	/nfs/dbraw/zinc/41/26/99/943412699.db2.gz	LBUVNGRILMDOIO-LSDHHAIUSA-N	1	0	357.462	1.276	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[NH2+]CCCN2C(=O)COc3ccccc32)cc1	ZINC000819102135	943421086	/nfs/dbraw/zinc/42/10/86/943421086.db2.gz	DVKPJKHLOONKQN-GOSISDBHSA-N	1	0	351.406	1.997	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)cc1	ZINC000819062649	943425652	/nfs/dbraw/zinc/42/56/52/943425652.db2.gz	RROFCZMRILKODR-QUCCMNQESA-N	1	0	359.470	1.531	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)cc1	ZINC000819062648	943425814	/nfs/dbraw/zinc/42/58/14/943425814.db2.gz	RROFCZMRILKODR-ICSRJNTNSA-N	1	0	359.470	1.531	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nocc3C)C2)nn1	ZINC001086825162	943439952	/nfs/dbraw/zinc/43/99/52/943439952.db2.gz	UORYOKBUKDMQPE-LSDHHAIUSA-N	1	0	358.446	1.839	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ocnc3C)C2)nn1	ZINC001086825175	943441381	/nfs/dbraw/zinc/44/13/81/943441381.db2.gz	VODVHORQGWIKJB-LSDHHAIUSA-N	1	0	358.446	1.839	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2COC(C)(C)O2)c(OC)c1	ZINC000819156229	943444539	/nfs/dbraw/zinc/44/45/39/943444539.db2.gz	QMRBUQIPTOFMQH-HOTGVXAUSA-N	1	0	351.443	1.905	20	30		FDEDRO
CC(C)CS(=O)(=O)N1CCC([NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1	ZINC000819212761	943489340	/nfs/dbraw/zinc/48/93/40/943489340.db2.gz	PBNNWHJWLPVOKU-SFHVURJKSA-N	1	0	365.499	1.631	20	30		FDEDRO
Cn1ccnc1CN1CCC[C@H]([NH2+]C[C@@H](O)c2ccc(C#N)cc2)C1=O	ZINC000819222337	943494817	/nfs/dbraw/zinc/49/48/17/943494817.db2.gz	POJHUHCJVJXDBK-DLBZAZTESA-N	1	0	353.426	1.106	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]CC1(C)CCN(C(=O)OC(C)(C)C)CC1	ZINC000819224471	943496466	/nfs/dbraw/zinc/49/64/66/943496466.db2.gz	GAOPSVUORFENHI-INIZCTEOSA-N	1	0	368.522	1.820	20	30		FDEDRO
COc1ccc([C@@H]2C[C@H]2[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1	ZINC000819278784	943524357	/nfs/dbraw/zinc/52/43/57/943524357.db2.gz	WEMZQZANTIHTLH-DLBZAZTESA-N	1	0	357.435	1.881	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cnc(C)nc3C)C2)C1=O	ZINC001086831330	943769485	/nfs/dbraw/zinc/76/94/85/943769485.db2.gz	MALPKPUKLMSKPV-LZLYRXPVSA-N	1	0	371.485	1.368	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)CCCC[NH+](C)C)s1	ZINC000820135841	943909465	/nfs/dbraw/zinc/90/94/65/943909465.db2.gz	VSJXYPUHGSYHLG-UHFFFAOYSA-N	1	0	373.544	1.555	20	30		FDEDRO
O=C(N[C@@H]1CCN(O)C1=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1	ZINC000820185190	943939732	/nfs/dbraw/zinc/93/97/32/943939732.db2.gz	JXVYYPFGSKYGSD-CZUORRHYSA-N	1	0	371.359	1.547	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@H]2CCC[N@H+](C)C2)s1	ZINC000820259286	943963704	/nfs/dbraw/zinc/96/37/04/943963704.db2.gz	XHFAWDHTBJTAFR-ZDUSSCGKSA-N	1	0	371.528	1.308	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1C[C@@H](O)[C@H](NC(=O)CC2CC(C)(C)C2)C1	ZINC001195572585	971042459	/nfs/dbraw/zinc/04/24/59/971042459.db2.gz	AZYBOYNQFUWDPO-IAGOWNOFSA-N	1	0	365.518	1.399	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)NCCC[N@@H+](C)CCN(C)C	ZINC000821559589	944564406	/nfs/dbraw/zinc/56/44/06/944564406.db2.gz	MXHIQFOOYIPHSK-UHFFFAOYSA-N	1	0	350.438	1.843	20	30		FDEDRO
N#Cc1c2ccccc2[nH]c1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1	ZINC001136516906	944762123	/nfs/dbraw/zinc/76/21/23/944762123.db2.gz	MJGKCOREZUXDCZ-ZDUSSCGKSA-N	1	0	353.426	1.357	20	30		FDEDRO
COC(=O)c1ccc(C(=N)Nc2cc(C3C[NH2+]C3)nc(SC)n2)cc1	ZINC001170981645	944906098	/nfs/dbraw/zinc/90/60/98/944906098.db2.gz	YMKOTMHPVLNPHH-UHFFFAOYSA-N	1	0	357.439	1.709	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NCCCCC[NH+]1CCCCC1	ZINC000805815479	945521034	/nfs/dbraw/zinc/52/10/34/945521034.db2.gz	NBTHZBCIYNENPB-UHFFFAOYSA-N	1	0	360.296	1.784	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000823650248	945889350	/nfs/dbraw/zinc/88/93/50/945889350.db2.gz	UTJRCMDWKMNZAH-KRWDZBQOSA-N	1	0	358.486	1.776	20	30		FDEDRO
Cc1cc(N2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)c(C#N)cn1	ZINC001090710839	945935055	/nfs/dbraw/zinc/93/50/55/945935055.db2.gz	BQFZNJGRQHLNSJ-RVKKMQEKSA-N	1	0	371.485	1.171	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C)[NH+]1CCCCC1	ZINC001090722219	945972859	/nfs/dbraw/zinc/97/28/59/945972859.db2.gz	XJOCOIASNHFTEL-GPMSIDNRSA-N	1	0	370.501	1.800	20	30		FDEDRO
C#CCN(CC#CC)C(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1	ZINC000823896117	946061576	/nfs/dbraw/zinc/06/15/76/946061576.db2.gz	PTMQQYKUICPCCJ-FQEVSTJZSA-N	1	0	352.482	1.471	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(O)(Cc3nc(C)cs3)CC2)CC1	ZINC000824470967	946451429	/nfs/dbraw/zinc/45/14/29/946451429.db2.gz	CYMFNWCRRFKLEH-UHFFFAOYSA-N	1	0	361.511	1.693	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1	ZINC001090787975	946621021	/nfs/dbraw/zinc/62/10/21/946621021.db2.gz	FPDJMCGQXBPMJZ-RHSMWYFYSA-N	1	0	365.441	1.211	20	30		FDEDRO
C#CCC[NH+]1CCC(C2(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)CC1	ZINC001573281967	946681755	/nfs/dbraw/zinc/68/17/55/946681755.db2.gz	CLWWMVAMVBMZSS-UHFFFAOYSA-N	1	0	353.430	1.193	20	30		FDEDRO
C#CCCCCC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1	ZINC001573284042	946736368	/nfs/dbraw/zinc/73/63/68/946736368.db2.gz	PYJNEWRHFWIXRA-ZDUSSCGKSA-N	1	0	358.471	1.812	20	30		FDEDRO
C#CCCCC(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573285307	946772803	/nfs/dbraw/zinc/77/28/03/946772803.db2.gz	VUXRDTCLJKCKEM-UHFFFAOYSA-N	1	0	370.432	1.888	20	30		FDEDRO
C#CCCCC(=O)N(C)C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F	ZINC001573285462	946778923	/nfs/dbraw/zinc/77/89/23/946778923.db2.gz	XIRYZKVUNQTDFY-ZDUSSCGKSA-N	1	0	358.421	1.746	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CCCCNc1ccc2c(C3C[NH2+]C3)ncn2c1	ZINC001171070763	946854664	/nfs/dbraw/zinc/85/46/64/946854664.db2.gz	JVBDJKUNXILZIY-INIZCTEOSA-N	1	0	357.458	1.660	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000824935285	946885156	/nfs/dbraw/zinc/88/51/56/946885156.db2.gz	QTWJEQUJNIPSED-JLSDUUJJSA-N	1	0	370.453	1.057	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H](C)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001573292223	946928094	/nfs/dbraw/zinc/92/80/94/946928094.db2.gz	QJZXHDCBMHKXFI-VIFPVBQESA-N	1	0	368.239	1.201	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H](C)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)c1	ZINC001573292496	946933596	/nfs/dbraw/zinc/93/35/96/946933596.db2.gz	WKNJIFOAZZJTAJ-CYBMUJFWSA-N	1	0	361.409	1.151	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@H]1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1	ZINC001573292762	946938427	/nfs/dbraw/zinc/93/84/27/946938427.db2.gz	AVXTZQBDXNWCDJ-ZFWWWQNUSA-N	1	0	369.473	1.983	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573560857	946958626	/nfs/dbraw/zinc/95/86/26/946958626.db2.gz	HNEFTNLGCFWCCS-QFWMXSHPSA-N	1	0	357.393	1.244	20	30		FDEDRO
C=C(C)CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1	ZINC001573293638	946962347	/nfs/dbraw/zinc/96/23/47/946962347.db2.gz	DZVLPGRRMGXYSK-KGLIPLIRSA-N	1	0	357.462	1.991	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573561707	946966002	/nfs/dbraw/zinc/96/60/02/946966002.db2.gz	MFJJWSQKEUJCKK-GWMXKSKGSA-N	1	0	357.393	1.244	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)CC(C)(C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1	ZINC001573562134	946970732	/nfs/dbraw/zinc/97/07/32/946970732.db2.gz	QYVSFRPXEIHTRR-ZDUSSCGKSA-N	1	0	355.446	1.601	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCc3ccccc31)C2	ZINC001110109043	946974481	/nfs/dbraw/zinc/97/44/81/946974481.db2.gz	YGFQXCSQCQLYHP-HBFSDRIKSA-N	1	0	355.482	1.973	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573564135	946989557	/nfs/dbraw/zinc/98/95/57/946989557.db2.gz	GIZDMGWQPQRJCB-RYUDHWBXSA-N	1	0	357.393	1.104	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573564136	946990099	/nfs/dbraw/zinc/99/00/99/946990099.db2.gz	GIZDMGWQPQRJCB-VXGBXAGGSA-N	1	0	357.393	1.104	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573564440	946992616	/nfs/dbraw/zinc/99/26/16/946992616.db2.gz	IRANRCMPJCOTBP-YPMHNXCESA-N	1	0	357.393	1.104	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1-c1nn[nH]n1)C2	ZINC001573564804	946997925	/nfs/dbraw/zinc/99/79/25/946997925.db2.gz	LDJQAOJHFSXECU-ZDUSSCGKSA-N	1	0	351.414	1.061	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1	ZINC001573565192	947001691	/nfs/dbraw/zinc/00/16/91/947001691.db2.gz	OKGCIRZPYQNVAT-GFCCVEGCSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@](C)(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573565467	947006405	/nfs/dbraw/zinc/00/64/05/947006405.db2.gz	RDCLKOPCBKHYLO-KZULUSFZSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC2(C1)CC[NH+](Cc1ccc(-c3nn[nH]n3)cc1)CC2	ZINC001573565606	947010934	/nfs/dbraw/zinc/01/09/34/947010934.db2.gz	SMICUVAMZTYCGY-AWEZNQCLSA-N	1	0	365.441	1.451	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC2(C1)CCC[N@H+](Cc1cccc(-c3nn[nH]n3)c1)C2	ZINC001573565733	947014048	/nfs/dbraw/zinc/01/40/48/947014048.db2.gz	VAXKJJINIOEJEZ-CQSZACIVSA-N	1	0	365.441	1.451	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573565687	947014528	/nfs/dbraw/zinc/01/45/28/947014528.db2.gz	ULSNLPAGIOVILK-JSGCOSHPSA-N	1	0	371.420	1.446	20	30		FDEDRO
C=C1CCC(C(=O)NCC[NH2+]Cc2cc(-c3nn[nH]n3)ccc2OC)CC1	ZINC001573296514	947049779	/nfs/dbraw/zinc/04/97/79/947049779.db2.gz	SYZXZNSANSHMPJ-UHFFFAOYSA-N	1	0	370.457	1.828	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2nn[nH]n2)s1	ZINC001573567758	947053470	/nfs/dbraw/zinc/05/34/70/947053470.db2.gz	SCLALNDKSUAHPV-UPJWGTAASA-N	1	0	371.470	1.653	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F	ZINC001573567947	947059215	/nfs/dbraw/zinc/05/92/15/947059215.db2.gz	VEYBQFNFQAODRE-WFASDCNBSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1	ZINC001573568129	947068337	/nfs/dbraw/zinc/06/83/37/947068337.db2.gz	YAURYGOCODSJHN-YPMHNXCESA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573571899	947103971	/nfs/dbraw/zinc/10/39/71/947103971.db2.gz	BIQGALBEJMESAI-DIFFPNOSSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1	ZINC001573572488	947115770	/nfs/dbraw/zinc/11/57/70/947115770.db2.gz	IULYBXVIDFARAA-OCCSQVGLSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC001573573438	947120991	/nfs/dbraw/zinc/12/09/91/947120991.db2.gz	NGFOKDHOSYHNPH-XJKSGUPXSA-N	1	0	353.430	1.497	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(C)(C)C	ZINC001573575266	947136924	/nfs/dbraw/zinc/13/69/24/947136924.db2.gz	WNPIABXJJRYPMA-GXFFZTMASA-N	1	0	361.475	1.708	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@H](C)[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573304561	947138939	/nfs/dbraw/zinc/13/89/39/947138939.db2.gz	BUOMABJCAVETAA-KBPBESRZSA-N	1	0	369.473	1.792	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C(C)(C)C	ZINC001573575563	947139781	/nfs/dbraw/zinc/13/97/81/947139781.db2.gz	YXBHLYDONJXQDY-IAQYHMDHSA-N	1	0	373.436	1.786	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CC1(C)C	ZINC001573576208	947150175	/nfs/dbraw/zinc/15/01/75/947150175.db2.gz	FDIHMJUHURPNAW-GWCFXTLKSA-N	1	0	359.459	1.414	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC1([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCCC1	ZINC001573577873	947176594	/nfs/dbraw/zinc/17/65/94/947176594.db2.gz	UPGZMMMPPNMOFB-LBPRGKRZSA-N	1	0	371.420	1.684	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@H]1CCC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573582189	947186297	/nfs/dbraw/zinc/18/62/97/947186297.db2.gz	BTMHYZRMHFNWFI-CHWSQXEVSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573583326	947203503	/nfs/dbraw/zinc/20/35/03/947203503.db2.gz	KYXBDWPRPHDUJT-CHWSQXEVSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573583785	947207954	/nfs/dbraw/zinc/20/79/54/947207954.db2.gz	OVLSEFFBKWCCAV-DZGCQCFKSA-N	1	0	353.430	1.355	20	30		FDEDRO
C[C@H](C#N)C(=O)NCCC[N@H+](Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CC1	ZINC001573584241	947216157	/nfs/dbraw/zinc/21/61/57/947216157.db2.gz	RTOKBWYEAPPEHI-GFCCVEGCSA-N	1	0	371.420	1.636	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CC[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573310406	947223091	/nfs/dbraw/zinc/22/30/91/947223091.db2.gz	XQEIAAUJVIHHSJ-BEFAXECRSA-N	1	0	370.457	1.132	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2	ZINC001573587200	947301906	/nfs/dbraw/zinc/30/19/06/947301906.db2.gz	XSFSWYGMTSBSBI-AXHNFQJDSA-N	1	0	365.441	1.497	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2[NH2+]Cc2nccn2C)cc1	ZINC001090864082	947327702	/nfs/dbraw/zinc/32/77/02/947327702.db2.gz	ANSIBRVKRXVAKC-FHLIZLRMSA-N	1	0	367.453	1.673	20	30		FDEDRO
CCOC(=O)CS(=O)(=O)NC1CCN(Cc2ccccc2C#N)CC1	ZINC001196001356	971366658	/nfs/dbraw/zinc/36/66/58/971366658.db2.gz	UASCSLKAIJKTPS-UHFFFAOYSA-N	1	0	365.455	1.005	20	30		FDEDRO
C=CCCC(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573328033	947402793	/nfs/dbraw/zinc/40/27/93/947402793.db2.gz	QNJRNIWGZPGBAE-UHFFFAOYSA-N	1	0	358.421	1.956	20	30		FDEDRO
C=CCCC(=O)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2	ZINC001573329789	947425300	/nfs/dbraw/zinc/42/53/00/947425300.db2.gz	PIGOKNXUEXQCIW-UHFFFAOYSA-N	1	0	352.442	1.867	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1c1ccc(OC)cc1	ZINC001090871486	947438286	/nfs/dbraw/zinc/43/82/86/947438286.db2.gz	YMELGAOAEBTICI-RBUKOAKNSA-N	1	0	354.454	1.741	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN([C@H](C)C(=O)NCCC(C)C)C[C@H]2O)C1	ZINC001196019314	971385603	/nfs/dbraw/zinc/38/56/03/971385603.db2.gz	BMNPWYSFFFWSKR-BZUAXINKSA-N	1	0	351.491	1.055	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCC3)C[C@H]1c1ccc(OC)cc1	ZINC001090874804	947484078	/nfs/dbraw/zinc/48/40/78/947484078.db2.gz	RYCGCUVQGUBPLK-AZUAARDMSA-N	1	0	364.449	1.669	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn(C)ccc2=O)C[C@H]1c1ccc(OC)cc1	ZINC001090875276	947489600	/nfs/dbraw/zinc/48/96/00/947489600.db2.gz	LFWBLCWKOZZGPY-PKOBYXMFSA-N	1	0	367.449	1.778	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCNC(=O)CC2)C[C@H]1c1ccc(OC)cc1	ZINC001090875806	947551231	/nfs/dbraw/zinc/55/12/31/947551231.db2.gz	HUSHYJBVQSOMHL-NZSAHSFTSA-N	1	0	371.481	1.682	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cn2ccc(C)n2)C[C@H]1c1ccc(OC)cc1	ZINC001090880907	947596590	/nfs/dbraw/zinc/59/65/90/947596590.db2.gz	PTGFNOJORNTUPH-RBUKOAKNSA-N	1	0	354.454	1.970	20	30		FDEDRO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C#Cc1ccc(C(F)(F)F)cc1	ZINC000844037616	947638989	/nfs/dbraw/zinc/63/89/89/947638989.db2.gz	KUNQEGRICZFDOL-CYBMUJFWSA-N	1	0	367.371	1.635	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2NCC#N)cc1	ZINC001090884779	947649663	/nfs/dbraw/zinc/64/96/63/947649663.db2.gz	KHRXQDHLNRPTTC-VQTJNVASSA-N	1	0	370.497	1.835	20	30		FDEDRO
C#CCN(CC(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N)C(=O)OC(C)(C)C	ZINC000856825322	971420493	/nfs/dbraw/zinc/42/04/93/971420493.db2.gz	CIONZDNUNIGNAJ-UHFFFAOYSA-N	1	0	374.445	1.242	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@]3(CC3(F)F)C2)CC1	ZINC000844438455	948087763	/nfs/dbraw/zinc/08/77/63/948087763.db2.gz	CULPEDFMZXKJCG-WBVHZDCISA-N	1	0	354.445	1.800	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@H]3OCC[C@@]3(C(=O)NCc3ccco3)C2)nc1	ZINC001144157427	948299494	/nfs/dbraw/zinc/29/94/94/948299494.db2.gz	HRGJZVONGWBOIS-UYAOXDASSA-N	1	0	366.421	1.844	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(N3C(=O)[C@H]4COCCN4C3=O)CC2)c1	ZINC000844741155	948352261	/nfs/dbraw/zinc/35/22/61/948352261.db2.gz	PPFMREGMLJKDQY-QGZVFWFLSA-N	1	0	354.410	1.186	20	30		FDEDRO
NC(=[NH+]OCc1cc2n(n1)CCC2)c1ccc(N2CCC(O)CC2)cc1	ZINC000844764125	948371892	/nfs/dbraw/zinc/37/18/92/948371892.db2.gz	IXARNRYPEFSSEB-UHFFFAOYSA-N	1	0	355.442	1.628	20	30		FDEDRO
C=CCN1CCN(CN2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)C1=O	ZINC000844733392	948374965	/nfs/dbraw/zinc/37/49/65/948374965.db2.gz	XFALKHPRKBQZEJ-UXHICEINSA-N	1	0	370.497	1.843	20	30		FDEDRO
C=C(C(=O)N1CCC([NH3+])(C(=O)NCc2ccccc2)CC1)C(F)(F)F	ZINC001144215456	948390183	/nfs/dbraw/zinc/39/01/83/948390183.db2.gz	QRZCRGPPDRRAPW-UHFFFAOYSA-N	1	0	355.360	1.741	20	30		FDEDRO
C=C(Br)C[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1	ZINC001091078618	949033883	/nfs/dbraw/zinc/03/38/83/949033883.db2.gz	DIXCEUHYBIQMIZ-FIYWTHMPSA-N	1	0	353.264	1.906	20	30		FDEDRO
Cc1nc(N2C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]3CCCC3)[C@@H](O)C2)ccc1C#N	ZINC001091111005	949290884	/nfs/dbraw/zinc/29/08/84/949290884.db2.gz	LDJSEJHBXLFEBB-ZIFCJYIRSA-N	1	0	371.485	1.048	20	30		FDEDRO
Cc1nc(N2C[C@@H](NC(=O)[C@H](C(C)C)[NH+]3CCCC3)[C@@H](O)C2)ccc1C#N	ZINC001091111004	949291431	/nfs/dbraw/zinc/29/14/31/949291431.db2.gz	LDJSEJHBXLFEBB-AOIWGVFYSA-N	1	0	371.485	1.048	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)CN(CN3CC[NH+](C4CC4)CC3)C2=O)cc1	ZINC000102392336	971592566	/nfs/dbraw/zinc/59/25/66/971592566.db2.gz	YQPORZOFVPXRSZ-UHFFFAOYSA-N	1	0	353.426	1.060	20	30		FDEDRO
C[C@H]1CN(C)C(=O)CN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000845743965	949875202	/nfs/dbraw/zinc/87/52/02/949875202.db2.gz	POQZSIDFYKRYLR-HNNXBMFYSA-N	1	0	369.469	1.395	20	30		FDEDRO
C[C@@](CO)(NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CC1	ZINC000845743811	949877056	/nfs/dbraw/zinc/87/70/56/949877056.db2.gz	LVDHRGQEIPHOHK-FQEVSTJZSA-N	1	0	356.470	1.983	20	30		FDEDRO
C#Cc1ccc(C[N@H+]2C[C@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)cc1	ZINC001144569467	949947957	/nfs/dbraw/zinc/94/79/57/949947957.db2.gz	RRJNVPTVLBYFAK-HXUWFJFHSA-N	1	0	368.477	1.755	20	30		FDEDRO
C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(C#N)CCSCC1	ZINC000845878334	950052308	/nfs/dbraw/zinc/05/23/08/950052308.db2.gz	MBYOLDDKLMCIFP-ZDUSSCGKSA-N	1	0	370.519	1.737	20	30		FDEDRO
C[C@@H](CN(C)C(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1	ZINC001574739346	950189755	/nfs/dbraw/zinc/18/97/55/950189755.db2.gz	NQEXYUXZYIEYGN-LBPRGKRZSA-N	1	0	364.413	1.317	20	30		FDEDRO
Cc1cc(N(C)C[C@@H]2CCCN2C(=O)[C@@H](C)C#N)c(-c2nn[nH]n2)c[nH+]1	ZINC001570967501	950211497	/nfs/dbraw/zinc/21/14/97/950211497.db2.gz	IQAUSCAEEDMBJD-AAEUAGOBSA-N	1	0	354.418	1.157	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(CCC[NH2+]C[C@@H](O)CC(C)(C)C#N)CC1	ZINC000857232909	971663029	/nfs/dbraw/zinc/66/30/29/971663029.db2.gz	PWLOPDFAJAETSP-INIZCTEOSA-N	1	0	368.522	1.820	20	30		FDEDRO
COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2[C@H](C)Cc2cccc(C#N)c2)O1	ZINC001171212227	950515783	/nfs/dbraw/zinc/51/57/83/950515783.db2.gz	KRGWDXLDOGUSGS-AXUOBQJMSA-N	1	0	357.454	1.484	20	30		FDEDRO
CNC(=O)CO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@@H](C)Cc1cccc(C#N)c1)C2	ZINC001171212453	950518340	/nfs/dbraw/zinc/51/83/40/950518340.db2.gz	MYUUYDANPHLARY-LRQRDZAKSA-N	1	0	371.481	1.875	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C)CC[NH+]1CCCCC1	ZINC000846204740	950714139	/nfs/dbraw/zinc/71/41/39/950714139.db2.gz	BMEYWIPNZKJBRP-UHFFFAOYSA-N	1	0	361.417	1.721	20	30		FDEDRO
Cc1cc(C#N)nc(N2CC[C@@H]3CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]32)n1	ZINC001091213579	950945228	/nfs/dbraw/zinc/94/52/28/950945228.db2.gz	NZXICAZPRKSDKI-RDJZCZTQSA-N	1	0	356.474	1.424	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1CC[C@H]2CCN(c3ccnc(C#N)n3)[C@H]2C1	ZINC001091216367	950998382	/nfs/dbraw/zinc/99/83/82/950998382.db2.gz	GVARXZMBJSTSLI-HOTGVXAUSA-N	1	0	356.474	1.507	20	30		FDEDRO
C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1cc(C#N)ccc1F	ZINC001575017745	951009488	/nfs/dbraw/zinc/00/94/88/951009488.db2.gz	MWKCGLKDEWIBBQ-SNVBAGLBSA-N	1	0	368.376	1.114	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2	ZINC001110114733	951124359	/nfs/dbraw/zinc/12/43/59/951124359.db2.gz	CTUOLQVEGXMRFP-YRXWBPOGSA-N	1	0	374.529	1.112	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1Nc1ccncc1C#N	ZINC001091259488	951235423	/nfs/dbraw/zinc/23/54/23/951235423.db2.gz	UTUVIJVIFJLPQE-ATZDWAIDSA-N	1	0	371.485	1.183	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CCCC[C@H]1Nc1ccncc1C#N	ZINC001091280987	951302658	/nfs/dbraw/zinc/30/26/58/951302658.db2.gz	WXPMEGWANASLEU-KBAYOESNSA-N	1	0	361.465	1.894	20	30		FDEDRO
N=C(Nc1cncc([C@H]2C[NH+]3CCC2CC3)n1)c1ccc(C(N)=O)cc1	ZINC001171255540	951648908	/nfs/dbraw/zinc/64/89/08/951648908.db2.gz	BVNNBBAXNUVOKR-HNNXBMFYSA-N	1	0	350.426	1.422	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ccncc4)C[C@]3(C)C2)C1=O	ZINC001091435514	951726674	/nfs/dbraw/zinc/72/66/74/951726674.db2.gz	WEMOFTPFVDQXAW-UWVAXJGDSA-N	1	0	354.454	1.262	20	30		FDEDRO
CO[C@H](C)C(=O)N1C[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@@]2(C)C1	ZINC001091518321	951924838	/nfs/dbraw/zinc/92/48/38/951924838.db2.gz	AUEFPMVTSPFSQM-MDYRTPRTSA-N	1	0	357.454	1.904	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)C3CCCCC3)C[C@@]2(C)C1	ZINC001091545658	951986031	/nfs/dbraw/zinc/98/60/31/951986031.db2.gz	RSXYICMQBLBTIP-YRNRMSPPSA-N	1	0	360.502	1.717	20	30		FDEDRO
COc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@]3(C)C2)sn1	ZINC001091575108	952114087	/nfs/dbraw/zinc/11/40/87/952114087.db2.gz	VFSLCPCEUXWFRE-ACJLOTCBSA-N	1	0	371.466	1.946	20	30		FDEDRO
C[NH+](C)CCN1CCN(S(=O)(=O)c2cc(Cl)ccc2C#N)CC1	ZINC001196643942	971807246	/nfs/dbraw/zinc/80/72/46/971807246.db2.gz	ZINZSXDVTXIHSR-UHFFFAOYSA-N	1	0	356.879	1.080	20	30		FDEDRO
C[C@]12CN(C(=O)C[C@H]3COC(=O)C3)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001091597898	952198519	/nfs/dbraw/zinc/19/85/19/952198519.db2.gz	OPYCSZCNKGRUQZ-OPYAIIAOSA-N	1	0	367.449	1.792	20	30		FDEDRO
CC1CC[NH+](CC(=O)NC[C@H]2CC[C@@H](Nc3cncc(C#N)n3)C2)CC1	ZINC001091601689	952221819	/nfs/dbraw/zinc/22/18/19/952221819.db2.gz	XRRZJPBMLYQBHR-JKSUJKDBSA-N	1	0	356.474	1.777	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)NC[C@H]1CC[C@@H](Nc2cnc(C#N)cn2)C1	ZINC001091609216	952274615	/nfs/dbraw/zinc/27/46/15/952274615.db2.gz	JIGHAKMYJHNWDD-SQWLQELKSA-N	1	0	362.453	1.725	20	30		FDEDRO
Cc1cc(N[C@@H]2CC[C@H](CNC(=O)C3([NH+](C)C)CCC3)C2)c(C#N)cn1	ZINC001091614569	952304774	/nfs/dbraw/zinc/30/47/74/952304774.db2.gz	XRKQOHHTHPRPMS-DOTOQJQBSA-N	1	0	355.486	1.865	20	30		FDEDRO
C[C@]12CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]1C[N@H+](CCc1ccns1)C2	ZINC001091613371	952307052	/nfs/dbraw/zinc/30/70/52/952307052.db2.gz	VNDLDBNOGOYBIH-KDOFPFPSSA-N	1	0	355.467	1.979	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](O)C(C)C)C[C@]2(C)C1	ZINC001091642837	952462098	/nfs/dbraw/zinc/46/20/98/952462098.db2.gz	FODDAXBZRUNBGY-QFUCXCTJSA-N	1	0	371.481	1.864	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cc([C@@H]4CCCN4C)[nH]n3)C[C@]2(C)C1	ZINC001091690059	952662052	/nfs/dbraw/zinc/66/20/52/952662052.db2.gz	GWFNVBSLSOLDFY-BPAFIMBUSA-N	1	0	355.486	1.594	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C2	ZINC001148310324	952679012	/nfs/dbraw/zinc/67/90/12/952679012.db2.gz	BNICXLFIWAFHAS-ZACQAIPSSA-N	1	0	363.502	1.367	20	30		FDEDRO
C[C@]12CN(C(=O)C[C@H]3CCNC3=O)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001091734134	952759141	/nfs/dbraw/zinc/75/91/41/952759141.db2.gz	MYCKBAHRZINKCT-OPYAIIAOSA-N	1	0	366.465	1.365	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2C[N@H+](CCN3CCNC3=O)C[C@@]2(C)C1	ZINC001091741091	952769958	/nfs/dbraw/zinc/76/99/58/952769958.db2.gz	ZJTJGKKDKCKLAV-UZLBHIALSA-N	1	0	371.485	1.093	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cccc4c3NC(=O)CO4)C[C@]2(C)C1	ZINC001091745276	952781136	/nfs/dbraw/zinc/78/11/36/952781136.db2.gz	CPXZVOQMPKQOCQ-VLIAUNLRSA-N	1	0	353.422	1.435	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCN3c3ncccn3)C[C@]2(C)C1	ZINC001091749179	952788642	/nfs/dbraw/zinc/78/86/42/952788642.db2.gz	CWZXLBAEFFHPPF-UWVAXJGDSA-N	1	0	355.486	1.802	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cc(C)ncn3)C[C@@]2(C)C1	ZINC001091749899	952789343	/nfs/dbraw/zinc/78/93/43/952789343.db2.gz	RNHMTEMTKGSLSH-LMNJBCLMSA-N	1	0	367.497	1.163	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@]2(C)C1	ZINC001091763218	952848558	/nfs/dbraw/zinc/84/85/58/952848558.db2.gz	CYYPLBOZHGUOND-UZLBHIALSA-N	1	0	365.437	1.890	20	30		FDEDRO
Cn1nc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)ccc1=O	ZINC001086870725	952918505	/nfs/dbraw/zinc/91/85/05/952918505.db2.gz	TXJKXOZKFWDCAD-DLBZAZTESA-N	1	0	365.437	1.340	20	30		FDEDRO
CC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001086884619	952937560	/nfs/dbraw/zinc/93/75/60/952937560.db2.gz	MPWBSWGKUYILHP-XUVXKRRUSA-N	1	0	368.481	1.944	20	30		FDEDRO
CO[C@H](C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001086969465	952969649	/nfs/dbraw/zinc/96/96/49/952969649.db2.gz	UKXSZQCKINDOJN-MDASCCDHSA-N	1	0	367.453	1.411	20	30		FDEDRO
COc1ncccc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1c1cnn(C)c1	ZINC001086970674	952972439	/nfs/dbraw/zinc/97/24/39/952972439.db2.gz	DJGXLHMNSSKZRX-RRQGHBQHSA-N	1	0	368.441	1.068	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCc2ccccc2)C1	ZINC001086971299	952973997	/nfs/dbraw/zinc/97/39/97/952973997.db2.gz	IHMIDQDRNQWNSX-AYOQOUSVSA-N	1	0	351.454	1.706	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2[NH2+]CC2CCC2)cn1	ZINC001086972985	952978012	/nfs/dbraw/zinc/97/80/12/952978012.db2.gz	KIBMXZBMYLRLDX-FUHWJXTLSA-N	1	0	352.442	1.618	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2[NH2+]CC[C@@H]2CCCCO2)cn1	ZINC001086978145	952989458	/nfs/dbraw/zinc/98/94/58/952989458.db2.gz	GQUGSFGIIMPWOO-SLFFLAALSA-N	1	0	370.497	1.677	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C[C@H]2NCC#N)cn1	ZINC001086982722	952995793	/nfs/dbraw/zinc/99/57/93/952995793.db2.gz	ZVWJOPBLIUBZPZ-OTWHNJEPSA-N	1	0	370.501	1.235	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2sc3nccn3c2C)C[C@H]1c1cnn(C)c1	ZINC001086982784	952996185	/nfs/dbraw/zinc/99/61/85/952996185.db2.gz	DRKICCXDNHDMCB-LSDHHAIUSA-N	1	0	370.482	1.822	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cncc(OC)c2C)C[C@H]1c1cnn(C)c1	ZINC001086984368	952998728	/nfs/dbraw/zinc/99/87/28/952998728.db2.gz	MDACQHJFXVFGPP-ZWKOTPCHSA-N	1	0	369.469	1.906	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ncoc2C(F)(F)F)C[C@H]1c1cnn(C)c1	ZINC001086985591	953003365	/nfs/dbraw/zinc/00/33/65/953003365.db2.gz	SKCZYFNCSAEENY-NWDGAFQWSA-N	1	0	369.347	1.811	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)nn2CC)C[C@H]1c1cnn(C)c1	ZINC001086985756	953003962	/nfs/dbraw/zinc/00/39/62/953003962.db2.gz	BOPNOXDVGKWBNG-FUHWJXTLSA-N	1	0	368.485	1.591	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2n[nH]c3c2CCCC3)C[C@H]1c1cnn(C)c1	ZINC001086985984	953004518	/nfs/dbraw/zinc/00/45/18/953004518.db2.gz	OJYCTPICMNQMNX-FUHWJXTLSA-N	1	0	368.485	1.796	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccnc3ccccc32)C[C@H]1c1cnn(C)c1	ZINC001086986323	953005858	/nfs/dbraw/zinc/00/58/58/953005858.db2.gz	IOUJXVOHIHIFJU-AZUAARDMSA-N	1	0	359.433	1.799	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@]2(C)c2ccccc2)C[C@H]1c1cnn(C)c1	ZINC001086988439	953012168	/nfs/dbraw/zinc/01/21/68/953012168.db2.gz	WSOSGVKKVYSPGU-ITTUMRLJSA-N	1	0	362.477	1.915	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)cn3ccnc23)C[C@H]1c1cnn(C)c1	ZINC001086989350	953014176	/nfs/dbraw/zinc/01/41/76/953014176.db2.gz	XCJUXWIATZBSHO-ZWKOTPCHSA-N	1	0	362.437	1.207	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(CCC)n[nH]2)C[C@H]1c1cnn(C)c1	ZINC001086990115	953016795	/nfs/dbraw/zinc/01/67/95/953016795.db2.gz	KTSYWYGOEKCTHU-FUHWJXTLSA-N	1	0	356.474	1.870	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc3ccsc3c2)C[C@H]1c1cnn(C)c1	ZINC001086991344	953020277	/nfs/dbraw/zinc/02/02/77/953020277.db2.gz	WPVXROBXAPPMDG-DOTOQJQBSA-N	1	0	365.462	1.861	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cc(C)cc(C)c2)C[C@H]1c1cnn(C)c1	ZINC001086994535	953028660	/nfs/dbraw/zinc/02/86/60/953028660.db2.gz	HJMYJJQDMINECX-VQTJNVASSA-N	1	0	350.466	1.797	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1O	ZINC001196691587	971891079	/nfs/dbraw/zinc/89/10/79/971891079.db2.gz	HNVXBJUTLSKDTD-RCCFBDPRSA-N	1	0	351.491	1.199	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)C[C@H]1c1cnn(C)c1	ZINC001086998276	953042446	/nfs/dbraw/zinc/04/24/46/953042446.db2.gz	BGMVUJYNJLCNTA-MAUKXSAKSA-N	1	0	354.458	1.795	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC2CCC2)C1	ZINC001086998158	953042754	/nfs/dbraw/zinc/04/27/54/953042754.db2.gz	XHWPLVGKJGDTQV-HCXYKTFWSA-N	1	0	358.486	1.695	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3ccccc3C2)C[C@H]1c1cnn(C)c1	ZINC001086999094	953045222	/nfs/dbraw/zinc/04/52/22/953045222.db2.gz	SAYIRGKXGSQIKD-SESVDKBCSA-N	1	0	362.477	1.742	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCOc3ccccc32)C[C@H]1c1cnn(C)c1	ZINC001087001680	953055703	/nfs/dbraw/zinc/05/57/03/953055703.db2.gz	JAITVRDLQIIXLR-GBESFXJTSA-N	1	0	364.449	1.504	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cn2ncc3ccccc32)C[C@H]1c1cnn(C)c1	ZINC001087002039	953057061	/nfs/dbraw/zinc/05/70/61/953057061.db2.gz	CUQVGTHRGWWFGW-ZWKOTPCHSA-N	1	0	364.453	1.540	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](c2cccnc2)C(C)C)C[C@H]1c1cnn(C)c1	ZINC001087003714	953060303	/nfs/dbraw/zinc/06/03/03/953060303.db2.gz	LPNQETFTPPFJPZ-ZCNNSNEGSA-N	1	0	365.481	1.772	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2nnn(C(C)C)c2C)C[C@H]1c1cnn(C)c1	ZINC001087004281	953061777	/nfs/dbraw/zinc/06/17/77/953061777.db2.gz	PKLXCAYYNWJHEZ-JKSUJKDBSA-N	1	0	357.462	1.285	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cn(CC3CC3)nn2)C[C@H]1c1cnn(C)c1	ZINC001087004260	953061879	/nfs/dbraw/zinc/06/18/79/953061879.db2.gz	NTZSPHDTVBIKHX-DLBZAZTESA-N	1	0	369.473	1.196	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C)cc2=O)C[C@H]1c1cnn(C)c1	ZINC001087004672	953062673	/nfs/dbraw/zinc/06/26/73/953062673.db2.gz	MIFIBSWJTYRPBC-DLBZAZTESA-N	1	0	355.442	1.191	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn([C@H](C)CC)c2C)C[C@H]1c1cnn(C)c1	ZINC001087005309	953064283	/nfs/dbraw/zinc/06/42/83/953064283.db2.gz	WUHJFZPRRLXMRB-MDASCCDHSA-N	1	0	368.485	1.727	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3n[nH]cc3C2)C[C@H]1c1cnn(C)c1	ZINC001087005867	953065808	/nfs/dbraw/zinc/06/58/08/953065808.db2.gz	XZCUHPSQULZWCN-QANKJYHBSA-N	1	0	354.458	1.018	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3c(cccc3C)O2)C[C@H]1c1cnn(C)c1	ZINC001087006233	953089881	/nfs/dbraw/zinc/08/98/81/953089881.db2.gz	PUWLCVPUAANQLQ-NLWGTHIKSA-N	1	0	366.465	1.802	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3c(cccc3C)O2)C[C@H]1c1cnn(C)c1	ZINC001087006310	953090192	/nfs/dbraw/zinc/09/01/92/953090192.db2.gz	UQFQLIAGZOAADJ-NSHGMRRFSA-N	1	0	364.449	1.249	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC(C)C)C2)cn1	ZINC001087006613	953090542	/nfs/dbraw/zinc/09/05/42/953090542.db2.gz	MBXZMCBAKMNIEU-RBUKOAKNSA-N	1	0	351.454	1.650	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc3[nH]ccc3s2)C[C@H]1c1cnn(C)c1	ZINC001087007546	953093497	/nfs/dbraw/zinc/09/34/97/953093497.db2.gz	JIVLOTFJZZTSED-DZGCQCFKSA-N	1	0	353.451	1.794	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ncc3n2CCCC3)C[C@H]1c1cnn(C)c1	ZINC001087010275	953101382	/nfs/dbraw/zinc/10/13/82/953101382.db2.gz	UALCDMPUWBTVQG-ZWKOTPCHSA-N	1	0	368.485	1.727	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCc3ccccc32)C[C@H]1c1cnn(C)c1	ZINC001087011116	953102859	/nfs/dbraw/zinc/10/28/59/953102859.db2.gz	GKPUASJVWZIGNE-CZTZKLFOSA-N	1	0	362.477	1.841	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C(F)F)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1OC	ZINC001087013369	953109085	/nfs/dbraw/zinc/10/90/85/953109085.db2.gz	QENOASBJPYUBSG-GDBMZVCRSA-N	1	0	367.396	1.785	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001087028715	953118336	/nfs/dbraw/zinc/11/83/36/953118336.db2.gz	UBQXUQGWOITVHV-CRAIPNDOSA-N	1	0	371.416	1.687	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1nc(C)c(C)s1	ZINC001087035573	953145287	/nfs/dbraw/zinc/14/52/87/953145287.db2.gz	FTLMAWQKYNLZSF-NILFDRSVSA-N	1	0	350.488	1.873	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1ncc(Cl)s1	ZINC001087035628	953145752	/nfs/dbraw/zinc/14/57/52/953145752.db2.gz	ICOUYWLGMZCQHO-IJLUTSLNSA-N	1	0	356.879	1.909	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1cnns1	ZINC001087040155	953156863	/nfs/dbraw/zinc/15/68/63/953156863.db2.gz	URRSUERONBIGCC-IUODEOHRSA-N	1	0	360.443	1.005	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1c(C)onc1CC	ZINC001087053112	953184721	/nfs/dbraw/zinc/18/47/21/953184721.db2.gz	ZPWGLPQVFPEVEY-VQIMIIECSA-N	1	0	359.470	1.912	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1cncc(C)c1	ZINC001087046793	953194714	/nfs/dbraw/zinc/19/47/14/953194714.db2.gz	BCXVTRNDXFZZBR-IEBWSBKVSA-N	1	0	367.453	1.857	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2c(C)nnn2CC)[C@H](OCC)C1	ZINC001087072670	953227375	/nfs/dbraw/zinc/22/73/75/953227375.db2.gz	SKWQHERRACRXBR-NVXWUHKLSA-N	1	0	363.506	1.772	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3nncs3)[C@H](OCC)C2)c1	ZINC001087082616	953241472	/nfs/dbraw/zinc/24/14/72/953241472.db2.gz	SWYRQKWLFYIRBQ-HZPDHXFCSA-N	1	0	371.466	1.181	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ncccc2C)[C@H](OCC)C1	ZINC001087085624	953246850	/nfs/dbraw/zinc/24/68/50/953246850.db2.gz	OGPUDTIHZOJNOY-IZBJGVDFSA-N	1	0	373.497	1.934	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cnc(C(F)(F)F)nc3)C[C@]2(C)C1	ZINC001091768743	953291637	/nfs/dbraw/zinc/29/16/37/953291637.db2.gz	QMHAIPZKMZMYNH-CJNGLKHVSA-N	1	0	352.360	1.913	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CCN1c1nc(C)cc(C#N)n1	ZINC001091794332	953318557	/nfs/dbraw/zinc/31/85/57/953318557.db2.gz	ISYNRSFYGFYAOJ-DLBZAZTESA-N	1	0	358.490	1.862	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)C4(F)CCCC4)C[C@]3(C)C2)C1=O	ZINC001091804762	953333931	/nfs/dbraw/zinc/33/39/31/953333931.db2.gz	SKRJJXXCNAMEDL-MDZRGWNJSA-N	1	0	363.477	1.836	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3CCC(=O)NC3)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001091809486	953342189	/nfs/dbraw/zinc/34/21/89/953342189.db2.gz	IPYVNKZRBJXDJG-CDXJDZJCSA-N	1	0	366.465	1.365	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)CCc3ccc(C(N)=O)cc3)C[C@]2(C)C1	ZINC001091850402	953444915	/nfs/dbraw/zinc/44/49/15/953444915.db2.gz	PTDYBJVZXJSFOU-NQIIRXRSSA-N	1	0	353.466	1.522	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)Cc3ccc(NC(C)=O)cc3)C[C@]2(C)C1	ZINC001091828083	953507408	/nfs/dbraw/zinc/50/74/08/953507408.db2.gz	BTUZVGJWSWDGEK-NQIIRXRSSA-N	1	0	353.466	1.991	20	30		FDEDRO
CC[C@H](C(=O)N1C[C@H]2CCN(c3nccnc3C#N)C[C@H]2C1)[NH+](CC)CC	ZINC001091870381	953626061	/nfs/dbraw/zinc/62/60/61/953626061.db2.gz	PBEZOJZEHSRRNO-SOLBZPMBSA-N	1	0	370.501	1.753	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3coc4c3C(=O)NCCC4)C[C@]2(C)C1	ZINC001091870887	953627704	/nfs/dbraw/zinc/62/77/04/953627704.db2.gz	MXPSVUBRNBFJSD-VLIAUNLRSA-N	1	0	355.438	1.373	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)C[C@]2(C)C1	ZINC001091875519	953644169	/nfs/dbraw/zinc/64/41/69/953644169.db2.gz	JJTFGGJXWQODCA-ALKREAHSSA-N	1	0	357.458	1.112	20	30		FDEDRO
C[C@]12CN(C(=O)[C@]3(C)CNC(=O)C3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001091875808	953644451	/nfs/dbraw/zinc/64/44/51/953644451.db2.gz	KMOAJYSCYUSDEC-QMMLZNLJSA-N	1	0	366.465	1.365	20	30		FDEDRO
Cn1c(C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@@]3(C)C2)c[nH]c1=O	ZINC001091914981	953704516	/nfs/dbraw/zinc/70/45/16/953704516.db2.gz	OKJSJGKQRUTVDM-XIKOKIGWSA-N	1	0	371.466	1.653	20	30		FDEDRO
CN1CC[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@@]3(C)C2)C1=O	ZINC001091930481	953724775	/nfs/dbraw/zinc/72/47/75/953724775.db2.gz	HYVIRIHLKIIRAB-OPYAIIAOSA-N	1	0	366.465	1.317	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001091937781	953787511	/nfs/dbraw/zinc/78/75/11/953787511.db2.gz	VYUZCBLPPHSRHJ-AGRFSFNASA-N	1	0	351.450	1.731	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)c3ccnc4c3nnn4C)C[C@]2(C)C1	ZINC001091957102	953850759	/nfs/dbraw/zinc/85/07/59/953850759.db2.gz	FMIWABSXZKNVRU-KUHUBIRLSA-N	1	0	354.458	1.723	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)C4(C(C)C)CC4)C[C@]3(C)C2)C1=O	ZINC001091993020	953902928	/nfs/dbraw/zinc/90/29/28/953902928.db2.gz	MYTSKVPMRPMEDF-UWVAXJGDSA-N	1	0	359.514	1.990	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3C[N@@H+](CC(=O)N(C)C4CC4)C[C@@]3(C)C2)c1	ZINC001091997126	953914525	/nfs/dbraw/zinc/91/45/25/953914525.db2.gz	MUEKCCWIOIPLHY-UTKZUKDTSA-N	1	0	366.465	1.078	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4conc4C)C[C@]3(C)C2)C1=O	ZINC001091974257	953963169	/nfs/dbraw/zinc/96/31/69/953963169.db2.gz	WPMVAGHLSDYBKV-OGWOLHLISA-N	1	0	358.442	1.164	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1	ZINC001091980278	953979155	/nfs/dbraw/zinc/97/91/55/953979155.db2.gz	ALMQLDUILZAFDI-YSGRDPCXSA-N	1	0	361.486	1.518	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cn(C)nc3C)C[C@@]2(C)C1	ZINC001092030026	954128698	/nfs/dbraw/zinc/12/86/98/954128698.db2.gz	PCNTVLIQBGXZLY-XSYGEPLQSA-N	1	0	358.486	1.600	20	30		FDEDRO
C[C@]12CN(C(=O)Cc3cnc[nH]3)C[C@H]1C[N@H+](Cc1ccc(F)c(C#N)c1)C2	ZINC001092051673	954141683	/nfs/dbraw/zinc/14/16/83/954141683.db2.gz	IIZIEAFIUHXIIC-UZLBHIALSA-N	1	0	367.428	1.943	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3C[N@H+](CC4CCOCC4)C[C@@]3(C)C2)nn1	ZINC001092079437	954226893	/nfs/dbraw/zinc/22/68/93/954226893.db2.gz	QQUFJTXMEIBDFC-APWZRJJASA-N	1	0	359.474	1.285	20	30		FDEDRO
CC[C@@H](C(=O)N[C@H]1CCN(c2nc(C)cc(C#N)n2)[C@@H]1C)[NH+](CC)CC	ZINC001092049576	954250164	/nfs/dbraw/zinc/25/01/64/954250164.db2.gz	GUAICNOLOZLKRN-PVAVHDDUSA-N	1	0	358.490	1.861	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cnn(C)c3)C[C@@]2(C)C1	ZINC001092090350	954250784	/nfs/dbraw/zinc/25/07/84/954250784.db2.gz	MVORYILBSOIHBU-LXZJYRNTSA-N	1	0	358.486	1.682	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@@H+]1C[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@]2(C)C1	ZINC001092109210	954337137	/nfs/dbraw/zinc/33/71/37/954337137.db2.gz	KOQAQVWXGFEGBZ-BEFAXECRSA-N	1	0	366.425	1.279	20	30		FDEDRO
C[C@]12CN(C(=O)c3nc[nH]n3)C[C@H]1C[N@H+](Cc1ccc(OCC#N)cc1)C2	ZINC001092109019	954337365	/nfs/dbraw/zinc/33/73/65/954337365.db2.gz	AZUJIISHECJIKR-BEFAXECRSA-N	1	0	366.425	1.301	20	30		FDEDRO
Cc1nonc1CC(=O)N1C[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@@]2(C)C1	ZINC001092154899	954406166	/nfs/dbraw/zinc/40/61/66/954406166.db2.gz	DRDPROLNCIBCLY-NQIIRXRSSA-N	1	0	364.449	1.753	20	30		FDEDRO
Cc1nonc1CC(=O)N1C[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@@]2(C)C1	ZINC001092155031	954406228	/nfs/dbraw/zinc/40/62/28/954406228.db2.gz	GDSWPIANBVZTBC-XLIONFOSSA-N	1	0	365.437	1.773	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001092215123	954543953	/nfs/dbraw/zinc/54/39/53/954543953.db2.gz	KLPNADRJQUIKCV-UWVAXJGDSA-N	1	0	352.438	1.117	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001092215208	954544740	/nfs/dbraw/zinc/54/47/40/954544740.db2.gz	OXLYBBNMJLZLAD-LQWHRVPQSA-N	1	0	351.450	1.097	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@]2(C)C1	ZINC001092232488	954578309	/nfs/dbraw/zinc/57/83/09/954578309.db2.gz	NZWIUMNMEHYQMX-KNKQGSTJSA-N	1	0	365.477	1.269	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@H]2C[N@@H+]([C@H](C)COC)C[C@@]2(C)C1	ZINC001092210196	954615715	/nfs/dbraw/zinc/61/57/15/954615715.db2.gz	HADHZOSCXQZBPL-QINHECLXSA-N	1	0	357.454	1.522	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@H+](CCN4CCCC4=O)C[C@@]3(C)C2)nc1	ZINC001092211903	954620738	/nfs/dbraw/zinc/62/07/38/954620738.db2.gz	SZVWXULEJQWXFX-UTKZUKDTSA-N	1	0	366.465	1.079	20	30		FDEDRO
C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CN(Cc4cc(F)ccc4C#N)C[C@@]3(C)C2)C1	ZINC001092273852	954658812	/nfs/dbraw/zinc/65/88/12/954658812.db2.gz	UHGGKURJEYRXPS-CDXJDZJCSA-N	1	0	370.472	1.929	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2cccnc2)C1	ZINC001197000794	972032879	/nfs/dbraw/zinc/03/28/79/972032879.db2.gz	KFCFVHRWQGXRFC-KBRIMQKVSA-N	1	0	355.442	1.601	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(Cc4nonc4C)C[C@@]3(C)C2)CC1	ZINC001092299758	954747112	/nfs/dbraw/zinc/74/71/12/954747112.db2.gz	HAUKLEFZPLTUHF-XLIONFOSSA-N	1	0	371.485	1.004	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1C[C@H]2CN(c3ccncc3C#N)C[C@@]2(C)C1	ZINC001092293516	954900148	/nfs/dbraw/zinc/90/01/48/954900148.db2.gz	LEMZZPDDBZJHOZ-XLIONFOSSA-N	1	0	355.486	1.970	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N1C[C@H]2CN(c3ncc(C#N)cc3F)C[C@@]2(C)C1	ZINC001092295369	954904290	/nfs/dbraw/zinc/90/42/90/954904290.db2.gz	AQHLXRJHPLLEHF-HNAYVOBHSA-N	1	0	359.449	1.719	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1	ZINC001092405318	955026867	/nfs/dbraw/zinc/02/68/67/955026867.db2.gz	OMIQAHJFOWDIIL-GDBMZVCRSA-N	1	0	356.474	1.269	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC2(C[NH+](CC3CC3)C2)n2ccnc21	ZINC001092369539	955037650	/nfs/dbraw/zinc/03/76/50/955037650.db2.gz	DNOAFMASPMMUCM-ZACQAIPSSA-N	1	0	356.470	1.846	20	30		FDEDRO
C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[C@@H](C)CC(=O)N1)c1nccn12	ZINC001092369467	955038481	/nfs/dbraw/zinc/03/84/81/955038481.db2.gz	BKDMRSDUWIBHNH-OAGGEKHMSA-N	1	0	371.485	1.336	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](CNC(=O)CCC[NH+]3CCCC3)[C@H](C)C2)n1	ZINC001092374113	955048411	/nfs/dbraw/zinc/04/84/11/955048411.db2.gz	DPCHUYSKFVDKFH-NVXWUHKLSA-N	1	0	370.501	1.721	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1	ZINC001092423349	955059179	/nfs/dbraw/zinc/05/91/79/955059179.db2.gz	ICLRWPMJCVXURT-KYJSFNMBSA-N	1	0	368.485	1.411	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C(C)=O)c1ccccc1)C2	ZINC001110131988	955097480	/nfs/dbraw/zinc/09/74/80/955097480.db2.gz	PRPLKCQWJATKRF-AABGKKOBSA-N	1	0	371.481	1.964	20	30		FDEDRO
Cc1nc(N2C[C@@H](CNC(=O)C[N@H+]3CC[C@@H](C)C3)[C@H](C)C2)ccc1C#N	ZINC001092445712	955121472	/nfs/dbraw/zinc/12/14/72/955121472.db2.gz	ZGECLDBAWLVFEW-IIDMSEBBSA-N	1	0	355.486	1.792	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)c1ccc(=O)[nH]n1	ZINC001092447143	955127078	/nfs/dbraw/zinc/12/70/78/955127078.db2.gz	JSCWLWUYZKRYKB-IUODEOHRSA-N	1	0	369.400	1.691	20	30		FDEDRO
C[C@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)[C@H](C)C1	ZINC001092546339	955379845	/nfs/dbraw/zinc/37/98/45/955379845.db2.gz	QAIZYAHKDCINTN-RBSFLKMASA-N	1	0	371.485	1.631	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CCNC(=O)CC1CC[NH+](C)CC1	ZINC001092547591	955386409	/nfs/dbraw/zinc/38/64/09/955386409.db2.gz	BJMORIZIFNTPBD-NVXWUHKLSA-N	1	0	370.501	1.659	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C	ZINC001092547627	955386477	/nfs/dbraw/zinc/38/64/77/955386477.db2.gz	CNJGUGXYFDFUDZ-BRWVUGGUSA-N	1	0	370.501	1.800	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001092551454	955404235	/nfs/dbraw/zinc/40/42/35/955404235.db2.gz	FXEHWBZYQUFGTC-KYJSFNMBSA-N	1	0	368.485	1.269	20	30		FDEDRO
C[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC001092531623	955492329	/nfs/dbraw/zinc/49/23/29/955492329.db2.gz	DTDZCRZAVXPOMH-TZMCWYRMSA-N	1	0	360.849	1.734	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CCNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001092531652	955492712	/nfs/dbraw/zinc/49/27/12/955492712.db2.gz	MZCQRBXUGYDSQX-BZUAXINKSA-N	1	0	356.474	1.269	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CCNC(=O)C12CC[NH+](CC1)C2	ZINC001092532045	955495717	/nfs/dbraw/zinc/49/57/17/955495717.db2.gz	ZRTBJJAYGNNELK-HUUCEWRRSA-N	1	0	354.458	1.023	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC001092532507	955499034	/nfs/dbraw/zinc/49/90/34/955499034.db2.gz	YKFQFLGWCOHXNG-RHSMWYFYSA-N	1	0	366.469	1.845	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](CCNC(=O)C3CC[NH+](C)CC3)C2)n1	ZINC001092533033	955501651	/nfs/dbraw/zinc/50/16/51/955501651.db2.gz	YESWHCAJQUDJCD-RHSMWYFYSA-N	1	0	370.501	1.577	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)NCC[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C	ZINC001092533324	955502229	/nfs/dbraw/zinc/50/22/29/955502229.db2.gz	LGBGNTQDIPDRIR-HZPDHXFCSA-N	1	0	358.490	1.659	20	30		FDEDRO
CCn1nncc1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1C	ZINC001092588911	955562160	/nfs/dbraw/zinc/56/21/60/955562160.db2.gz	LXMIEYZMAFJOSZ-CZUORRHYSA-N	1	0	370.432	1.807	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CCNC(=O)CC[C@@H]1CCC[N@@H+]1C	ZINC001092598456	955604769	/nfs/dbraw/zinc/60/47/69/955604769.db2.gz	DVDAJMANORNKGN-NUJGCVRESA-N	1	0	370.501	1.801	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CCNC(=O)[C@H]1CCCC[N@@H+]1C	ZINC001092599830	955613484	/nfs/dbraw/zinc/61/34/84/955613484.db2.gz	XYCDJHMSTTUJEY-BFYDXBDKSA-N	1	0	356.474	1.411	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3c(cnn3C)c2)C1	ZINC001197182080	972111811	/nfs/dbraw/zinc/11/18/11/972111811.db2.gz	SWQQSYIREATVBI-IAGOWNOFSA-N	1	0	359.474	1.714	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)c1cc(=O)n(C)o1	ZINC001092573595	955689816	/nfs/dbraw/zinc/68/98/16/955689816.db2.gz	VZZLGPJHTJPDIG-VXGBXAGGSA-N	1	0	360.439	1.409	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)c1cnnn1C	ZINC001092582437	955724648	/nfs/dbraw/zinc/72/46/48/955724648.db2.gz	MVNWVZMSXRXIRY-GDBMZVCRSA-N	1	0	355.417	1.304	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1CCNc1ccc(C#N)nn1	ZINC001092618838	955841052	/nfs/dbraw/zinc/84/10/52/955841052.db2.gz	PCEOEZMOVKNYLH-HZPDHXFCSA-N	1	0	358.490	1.977	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1CCNc1cncc(C#N)n1	ZINC001092618846	955841280	/nfs/dbraw/zinc/84/12/80/955841280.db2.gz	PLXLSMDMEQUOEB-HZPDHXFCSA-N	1	0	358.490	1.977	20	30		FDEDRO
CC[NH+](CC)CC(=O)NC[C@]12CCC[C@H]1N(c1nccnc1C#N)CC2	ZINC001092697445	956067938	/nfs/dbraw/zinc/06/79/38/956067938.db2.gz	ACDMOLPCZCWCAF-VQIMIIECSA-N	1	0	356.474	1.555	20	30		FDEDRO
Cc1cc(C#N)nc(N2CC[C@@]3(CNC(=O)CC[NH+](C)C)CCC[C@@H]23)n1	ZINC001092712214	956148322	/nfs/dbraw/zinc/14/83/22/956148322.db2.gz	RQDZVTWWTWSCOO-VQIMIIECSA-N	1	0	356.474	1.474	20	30		FDEDRO
C[N@H+](CC(=O)NC[C@]12CCC[C@H]1N(c1ccnc(C#N)n1)CC2)C1CCC1	ZINC001092717840	956170645	/nfs/dbraw/zinc/17/06/45/956170645.db2.gz	JVYLBTARROVWIP-OXQOHEQNSA-N	1	0	368.485	1.698	20	30		FDEDRO
C=CCOc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]2C)cc1	ZINC001092741035	956238724	/nfs/dbraw/zinc/23/87/24/956238724.db2.gz	WRXAYDCDPHWOCF-SUMDDJOVSA-N	1	0	371.481	1.780	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)[C@@H]1CCC(=O)NC1	ZINC001092759011	956292548	/nfs/dbraw/zinc/29/25/48/956292548.db2.gz	GOZCIKXORFVDMN-KBAYOESNSA-N	1	0	371.456	1.388	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3nncn3CC2)[C@H](C)C1	ZINC001092836115	956579138	/nfs/dbraw/zinc/57/91/38/956579138.db2.gz	GFWUJXLRVMYZDF-BPLDGKMQSA-N	1	0	351.882	1.667	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)cn2)CC1	ZINC001092868038	956589040	/nfs/dbraw/zinc/58/90/40/956589040.db2.gz	MVOCACFZTMCVJZ-NJAFHUGGSA-N	1	0	369.469	1.290	20	30		FDEDRO
CCc1nc(C#N)cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C3)n1	ZINC001092862709	956726257	/nfs/dbraw/zinc/72/62/57/956726257.db2.gz	SSWDKJKZONMSEZ-DRMAHVMPSA-N	1	0	370.501	1.723	20	30		FDEDRO
CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1)[NH+](CC)CC	ZINC001092910937	956753209	/nfs/dbraw/zinc/75/32/09/956753209.db2.gz	QVNYKJVUNXXOCE-TWMKSMIVSA-N	1	0	356.474	1.695	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[N@H+](Cc3cc(OC)ccn3)C[C@H]2C)c1	ZINC001092953119	956889167	/nfs/dbraw/zinc/88/91/67/956889167.db2.gz	YIVNDTCGZUNBCO-CRAIPNDOSA-N	1	0	364.449	1.964	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[N@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]2C)c1	ZINC001092954097	956892564	/nfs/dbraw/zinc/89/25/64/956892564.db2.gz	GKGVFOVOXNDGGU-LZQZEXGQSA-N	1	0	368.481	1.370	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)c1cc(C(N)=O)co1	ZINC001092960105	956912917	/nfs/dbraw/zinc/91/29/17/956912917.db2.gz	TUMBEYHYQLOKJK-CXAGYDPISA-N	1	0	366.421	1.748	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O	ZINC001092971129	957026418	/nfs/dbraw/zinc/02/64/18/957026418.db2.gz	WMCBSMNTCRAZPM-UWIFEVILSA-N	1	0	373.884	1.497	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(OC)nn2)C[C@H]1C	ZINC001093045934	957210591	/nfs/dbraw/zinc/21/05/91/957210591.db2.gz	RGUARLGVIJXJAC-RRIFGTCXSA-N	1	0	374.485	1.651	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3cc(C)nc(C)n3)[C@H](C)C2)C1=O	ZINC001093050566	957223973	/nfs/dbraw/zinc/22/39/73/957223973.db2.gz	VOWMIUWNOHZHFF-QBIMZIAESA-N	1	0	371.485	1.178	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3cc(C4CC4)no3)C[C@H]2C)nn1	ZINC001093035121	957252610	/nfs/dbraw/zinc/25/26/10/957252610.db2.gz	OACTUGHLQQILQG-UKRRQHHQSA-N	1	0	370.457	1.827	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@H]2C)nn1	ZINC001093035342	957253627	/nfs/dbraw/zinc/25/36/27/957253627.db2.gz	YSSGGNJBPGCXRS-TZMCWYRMSA-N	1	0	353.417	1.807	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1C	ZINC001093039146	957261511	/nfs/dbraw/zinc/26/15/11/957261511.db2.gz	HHXKTCDDOSJSSY-FPAYPSAMSA-N	1	0	360.502	1.976	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1C	ZINC001093039587	957262245	/nfs/dbraw/zinc/26/22/45/957262245.db2.gz	QDCLNHCTPQLMAO-RRIFGTCXSA-N	1	0	363.502	1.320	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1	ZINC001093058081	957279318	/nfs/dbraw/zinc/27/93/18/957279318.db2.gz	ZNRCYRTVZRQLFY-HZMVEIRTSA-N	1	0	354.458	1.449	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3cnc(C)nc3C)[C@H](C)C2)C1=O	ZINC001093061698	957295071	/nfs/dbraw/zinc/29/50/71/957295071.db2.gz	BMNQEWHORMYACC-MZMPZRCHSA-N	1	0	371.485	1.178	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2CN(c2cncc(C#N)n2)C3)CC1	ZINC001093105016	957457801	/nfs/dbraw/zinc/45/78/01/957457801.db2.gz	SOTTXCDWGBTALU-LIRRHRJNSA-N	1	0	354.458	1.165	20	30		FDEDRO
CC[C@@H](C(=O)N[C@]12CCC[C@H]1CN(c1nc(C)cc(C#N)n1)C2)[NH+](C)C	ZINC001093091336	957534920	/nfs/dbraw/zinc/53/49/20/957534920.db2.gz	XSIVEMSLIYMGTF-QOKNQOGYSA-N	1	0	356.474	1.472	20	30		FDEDRO
C[N@@H+]1CCCN(Cc2cccc(C(=O)NC3(C#N)CCOCC3)c2)CC1	ZINC001197520487	972273454	/nfs/dbraw/zinc/27/34/54/972273454.db2.gz	HMPZVQLAYRRNSD-UHFFFAOYSA-N	1	0	356.470	1.627	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NC[C@@H]1C[N@H+]([C@H](CC)C(N)=O)C[C@H]1C	ZINC001093119568	957572121	/nfs/dbraw/zinc/57/21/21/957572121.db2.gz	CUOVVGBPAAOUJV-RBSFLKMASA-N	1	0	360.458	1.208	20	30		FDEDRO
C[NH+](C)CCOCC(=O)N1C[C@@H]2CCC[C@]2(CNc2ncccc2C#N)C1	ZINC001093124738	957589740	/nfs/dbraw/zinc/58/97/40/957589740.db2.gz	NOFXQNOXLZEUAH-PXNSSMCTSA-N	1	0	371.485	1.572	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(CNc2ccc(C#N)nn2)C1	ZINC001093124694	957589747	/nfs/dbraw/zinc/58/97/47/957589747.db2.gz	LEKFWBNVEZHURR-KXBFYZLASA-N	1	0	356.474	1.731	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCS(=O)(=O)N(C)C)C2	ZINC001110140723	957635223	/nfs/dbraw/zinc/63/52/23/957635223.db2.gz	LRYNQWQVAYIRTJ-IKGGRYGDSA-N	1	0	371.547	1.736	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]2C)nc1	ZINC001093141512	957638826	/nfs/dbraw/zinc/63/88/26/957638826.db2.gz	POYCOWFMPHCZLR-BPQIPLTHSA-N	1	0	368.481	1.277	20	30		FDEDRO
CC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C	ZINC001093143961	957644014	/nfs/dbraw/zinc/64/40/14/957644014.db2.gz	ISKTVQXBPGNBFH-UIFIKXQLSA-N	1	0	367.493	1.733	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N2C[C@@H]3CCC[C@]3(CNc3ccncc3C#N)C2)CC1	ZINC001093128709	957665541	/nfs/dbraw/zinc/66/55/41/957665541.db2.gz	RNJLXOZAIDDVES-UWJYYQICSA-N	1	0	367.497	1.758	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)C1=O	ZINC001093274468	957945058	/nfs/dbraw/zinc/94/50/58/957945058.db2.gz	PDZJGDIJQPNIBO-INMHGKMJSA-N	1	0	369.469	1.361	20	30		FDEDRO
C#CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC1	ZINC001093379011	958017598	/nfs/dbraw/zinc/01/75/98/958017598.db2.gz	YANSFWCIATVBNJ-QYZOEREBSA-N	1	0	371.525	1.827	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2ccc(Cl)s2)C1	ZINC001197619413	972313263	/nfs/dbraw/zinc/31/32/63/972313263.db2.gz	GOBBMQPESKAFMD-JHJVBQTASA-N	1	0	358.891	1.869	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3=COCCO3)[C@H]2C(C)C)C[C@H]1O	ZINC001093428385	958046591	/nfs/dbraw/zinc/04/65/91/958046591.db2.gz	UCRKFAUUDQCIOQ-RRIFGTCXSA-N	1	0	350.459	1.417	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc[nH]c(=O)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093438429	958070772	/nfs/dbraw/zinc/07/07/72/958070772.db2.gz	FBYRDKSHYDMNEY-QQTQMKHKSA-N	1	0	359.470	1.943	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)c2c[nH]c(C#N)c2)C[C@]12C[C@@H](O)[C@H]([NH2+]CC1CC1)C2	ZINC001093439958	958074117	/nfs/dbraw/zinc/07/41/17/958074117.db2.gz	QYXKRZADGSTPBC-XSYGEPLQSA-N	1	0	356.470	1.876	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)C#CC2CC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccnn1C)C2	ZINC001093443477	958085654	/nfs/dbraw/zinc/08/56/54/958085654.db2.gz	RAJZARXJPQFHQD-RMVXJAJNSA-N	1	0	370.497	1.300	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncc[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093443876	958086580	/nfs/dbraw/zinc/08/65/80/958086580.db2.gz	VQYJHOZQKMFZAB-WVZRYYJFSA-N	1	0	352.866	1.742	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)C#CC2CC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccn(C)n1)C2	ZINC001093443926	958087322	/nfs/dbraw/zinc/08/73/22/958087322.db2.gz	WMXMNFURMCRRAT-RMVXJAJNSA-N	1	0	370.497	1.300	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccn(CC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093446642	958095111	/nfs/dbraw/zinc/09/51/11/958095111.db2.gz	JGYUPGRZPYYDRX-HNBVOPMISA-N	1	0	358.486	1.045	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc4cc[nH]c4c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093448514	958109115	/nfs/dbraw/zinc/10/91/15/958109115.db2.gz	AAWRYKXNGVQBQA-BNDYYXHWSA-N	1	0	366.465	1.776	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3scnc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093448697	958110558	/nfs/dbraw/zinc/11/05/58/958110558.db2.gz	LHENIXUIYDJFIU-FXRXJOCMSA-N	1	0	361.511	1.918	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)[nH]nc3Cl)[C@@H]2C(C)C)C[C@H]1O	ZINC001093449540	958117477	/nfs/dbraw/zinc/11/74/77/958117477.db2.gz	PNPXAYOTIKABIZ-HOPMXRPOSA-N	1	0	364.877	1.584	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc4n3CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093450540	958125421	/nfs/dbraw/zinc/12/54/21/958125421.db2.gz	MZWWKEAOAHLDNG-QSFMABPGSA-N	1	0	358.486	1.595	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C)nc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001093450937	958129809	/nfs/dbraw/zinc/12/98/09/958129809.db2.gz	PWIOLJHGDIPVGW-XSYGEPLQSA-N	1	0	360.502	1.748	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn[nH]c(=O)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093451858	958136818	/nfs/dbraw/zinc/13/68/18/958136818.db2.gz	ZLIXZVUGCTUAEL-FXRXJOCMSA-N	1	0	360.458	1.338	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn[nH]c(=O)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093451859	958137228	/nfs/dbraw/zinc/13/72/28/958137228.db2.gz	ZLIXZVUGCTUAEL-IIHSZXCVSA-N	1	0	360.458	1.338	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncnc4[nH]ccc43)[C@H]2C(C)C)C[C@H]1O	ZINC001093452023	958137299	/nfs/dbraw/zinc/13/72/99/958137299.db2.gz	BSNLGUJPCOVZLZ-RNKNFESXSA-N	1	0	367.453	1.122	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(=O)Nc3ccccc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452348	958180907	/nfs/dbraw/zinc/18/09/07/958180907.db2.gz	HHTIEOSPNQJSFN-NEYJZJCJSA-N	1	0	369.465	1.224	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3n[nH]c4c3CCCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093459826	958184693	/nfs/dbraw/zinc/18/46/93/958184693.db2.gz	WFXHCHYOOSSQAK-VGUOSERISA-N	1	0	370.497	1.501	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc4n[nH]cc4c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093460851	958191012	/nfs/dbraw/zinc/19/10/12/958191012.db2.gz	ZETVIGCDHPAGRN-BNDYYXHWSA-N	1	0	366.465	1.776	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc4nonc4c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093462115	958193884	/nfs/dbraw/zinc/19/38/84/958193884.db2.gz	NFKXHIGKDRBQKJ-SOAMZJECSA-N	1	0	368.437	1.436	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccnc3OC)[C@H]2C(C)C)C[C@H]1O	ZINC001093462973	958195387	/nfs/dbraw/zinc/19/53/87/958195387.db2.gz	RWKLCJUFGCJGRS-PDOICOKGSA-N	1	0	359.470	1.856	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3cncs3)[C@H]2C(C)C)C[C@H]1O	ZINC001093464697	958200375	/nfs/dbraw/zinc/20/03/75/958200375.db2.gz	GLBDHNDIBPROIY-ZAWLATJESA-N	1	0	361.511	1.675	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cc(Cl)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093465265	958203048	/nfs/dbraw/zinc/20/30/48/958203048.db2.gz	IXLIYQVDSHXWHX-XYVMCAHJSA-N	1	0	366.893	1.689	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc4c3OCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093465519	958204045	/nfs/dbraw/zinc/20/40/45/958204045.db2.gz	KBSXFNOVMKRSEA-DBQGFPOUSA-N	1	0	368.477	1.834	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc(C)nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093465838	958206554	/nfs/dbraw/zinc/20/65/54/958206554.db2.gz	JUFUHDWMNYOQLN-FTEYMNFISA-N	1	0	356.470	1.306	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(COC)on3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093467208	958213152	/nfs/dbraw/zinc/21/31/52/958213152.db2.gz	RQABAYKQLSJFOD-YWTNHNAXSA-N	1	0	363.458	1.587	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(CCC=C)nn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093470168	958227547	/nfs/dbraw/zinc/22/75/47/958227547.db2.gz	QKZKKSBPEMHCPG-PHXBYCTMSA-N	1	0	371.485	1.067	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C)nc3Cl)[C@@H]2C(C)C)C[C@H]1O	ZINC001093471355	958232971	/nfs/dbraw/zinc/23/29/71/958232971.db2.gz	DKDFWBXMPGJHIY-ADAWSYLGSA-N	1	0	366.893	1.839	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C#C)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093472284	958237787	/nfs/dbraw/zinc/23/77/87/958237787.db2.gz	ITTIEQYZJQIMSC-BNDYYXHWSA-N	1	0	351.450	1.276	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3conc3COC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093472371	958239040	/nfs/dbraw/zinc/23/90/40/958239040.db2.gz	KRWWZPMQQFVITB-MYZZLAAOSA-N	1	0	363.458	1.587	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)c3cnc[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093474622	958248489	/nfs/dbraw/zinc/24/84/89/958248489.db2.gz	SWFAMLZMCNFNDU-UOSKARGWSA-N	1	0	358.486	1.287	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncoc3C3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093474867	958250075	/nfs/dbraw/zinc/25/00/75/958250075.db2.gz	XAZBTCVVNXYEDG-DZJHOTPTSA-N	1	0	357.454	1.765	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncnc4[nH]ccc43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093453935	958263675	/nfs/dbraw/zinc/26/36/75/958263675.db2.gz	YGESOJOALIBBKQ-MXHNKVEKSA-N	1	0	369.469	1.675	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)cncc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093454830	958270039	/nfs/dbraw/zinc/27/00/39/958270039.db2.gz	CFJSHMJYTWSXMW-PLOVASNDSA-N	1	0	355.482	1.911	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3csnn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093455622	958273855	/nfs/dbraw/zinc/27/38/55/958273855.db2.gz	PANYQIHIQLJLAQ-XKVFNRALSA-N	1	0	370.906	1.870	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nc(C)c(C)nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093456539	958277710	/nfs/dbraw/zinc/27/77/10/958277710.db2.gz	FODPISVZVWSCTQ-PLOVASNDSA-N	1	0	370.497	1.615	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncc(OC)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093457241	958279814	/nfs/dbraw/zinc/27/98/14/958279814.db2.gz	IYANQMIHPAQVKR-OAFZBRQQSA-N	1	0	360.458	1.251	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CCO)C3)[C@@H]2C(C)C)cc1	ZINC001093458923	958286598	/nfs/dbraw/zinc/28/65/98/958286598.db2.gz	HXVYOBAQGQVYRD-WERVVEIQSA-N	1	0	356.466	1.240	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3cscn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093478163	958292485	/nfs/dbraw/zinc/29/24/85/958292485.db2.gz	CENSDIGEHKSZOR-FPAYPSAMSA-N	1	0	361.511	1.675	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nn(CC)nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093479062	958296357	/nfs/dbraw/zinc/29/63/57/958296357.db2.gz	GREDEEBYBDNBRC-FXRXJOCMSA-N	1	0	361.490	1.372	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)noc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001093479419	958299186	/nfs/dbraw/zinc/29/91/86/958299186.db2.gz	UIOIZLYRWXQNNL-OHRYMORCSA-N	1	0	359.470	1.758	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH]c4ncccc34)[C@@H]2C(C)C)C[C@H]1O	ZINC001093479533	958300287	/nfs/dbraw/zinc/30/02/87/958300287.db2.gz	VAEJTXLVAJDPOM-NEYJZJCJSA-N	1	0	366.465	1.776	20	30		FDEDRO
C#CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1	ZINC001093490444	958312590	/nfs/dbraw/zinc/31/25/90/958312590.db2.gz	XKWSVXJZOZYCDM-IVDHNXQLSA-N	1	0	357.498	1.327	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCO2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001093626755	958381770	/nfs/dbraw/zinc/38/17/70/958381770.db2.gz	RXBNVOKJIAZWKP-SUMDDJOVSA-N	1	0	357.454	1.952	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3cc(CC)n[nH]3)C[C@H]2C)C1=O	ZINC001093647172	958421006	/nfs/dbraw/zinc/42/10/06/958421006.db2.gz	GTCSIRDMWKPADX-FMKPAKJESA-N	1	0	359.474	1.057	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2ccc3oc(=O)n(C)c3c2)[C@H](C)C1	ZINC001093679209	958533376	/nfs/dbraw/zinc/53/33/76/958533376.db2.gz	RSJJRUCWMBBYEX-UMVBOHGHSA-N	1	0	356.426	1.475	20	30		FDEDRO
C#C[C@@H](NC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)[C@H]1CCCO1	ZINC000773209154	958553377	/nfs/dbraw/zinc/55/33/77/958553377.db2.gz	HPIMRUVQTWKAPC-WOJBJXKFSA-N	1	0	370.497	1.414	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+][C@@H]1CCN(C2CCC2)C1=O	ZINC001093699358	958565551	/nfs/dbraw/zinc/56/55/51/958565551.db2.gz	PVWRMJBSTIEDRF-FRFSOERESA-N	1	0	369.469	1.337	20	30		FDEDRO
CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)s1	ZINC001093699933	958566595	/nfs/dbraw/zinc/56/65/95/958566595.db2.gz	QGIRGJYNLOAEOJ-DGCLKSJQSA-N	1	0	358.471	1.798	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1cccc(C(N)=O)c1	ZINC001093699979	958567121	/nfs/dbraw/zinc/56/71/21/958567121.db2.gz	STSYIUAZTRXENV-CXAGYDPISA-N	1	0	365.437	1.483	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+][C@H]1CCN(C(C)(C)C)C1=O	ZINC001093722429	958597757	/nfs/dbraw/zinc/59/77/57/958597757.db2.gz	CCWQEVRBZOXSRG-FMKPAKJESA-N	1	0	371.485	1.583	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1cn(CC2CC2)nn1	ZINC001093722459	958598016	/nfs/dbraw/zinc/59/80/16/958598016.db2.gz	GCYBWTJFBOMCTJ-UKRRQHHQSA-N	1	0	367.457	1.386	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cncnc2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001093740086	958659000	/nfs/dbraw/zinc/65/90/00/958659000.db2.gz	ZRWLTGQOLPKRHP-RDTXWAMCSA-N	1	0	367.428	1.914	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001093741258	958660234	/nfs/dbraw/zinc/66/02/34/958660234.db2.gz	OCZYAJCLAKOTFL-RHSMWYFYSA-N	1	0	369.444	1.858	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H](C)c2nnnn2C)[C@H](C)C1	ZINC001093793915	958796657	/nfs/dbraw/zinc/79/66/57/958796657.db2.gz	DJDBNWJIZDHGPC-NQBHXWOUSA-N	1	0	354.886	1.734	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093804646	958840358	/nfs/dbraw/zinc/84/03/58/958840358.db2.gz	OKYVEULRHHWOQC-MGPQQGTHSA-N	1	0	360.483	1.282	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+][C@@H](C)c2nnnn2C)[C@H](C)C1	ZINC001093824972	958904129	/nfs/dbraw/zinc/90/41/29/958904129.db2.gz	XAYYBXWQNUEIBO-QLFBSQMISA-N	1	0	357.462	1.257	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cc(C)ns2)[C@H](C)C1	ZINC001093833086	958927450	/nfs/dbraw/zinc/92/74/50/958927450.db2.gz	QOAZZLVGQGAZOZ-KYJSFNMBSA-N	1	0	360.527	1.733	20	30		FDEDRO
CC[C@@]1(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)cc3)[C@H](C)C2)CCNC1=O	ZINC001093835719	958934756	/nfs/dbraw/zinc/93/47/56/958934756.db2.gz	HMCSCDCBLQRPGI-FQELHTAISA-N	1	0	368.481	1.659	20	30		FDEDRO
CCN1CCOC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1	ZINC001093880126	959099393	/nfs/dbraw/zinc/09/93/93/959099393.db2.gz	AWRYGDMMJXEXFY-NSISKUIASA-N	1	0	370.497	1.463	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3sc(C)nc32)C1	ZINC001197742312	972405551	/nfs/dbraw/zinc/40/55/51/972405551.db2.gz	CMDOSRZMFMOTTN-RBSFLKMASA-N	1	0	365.499	1.235	20	30		FDEDRO
COc1nccc(C(=O)N2C[C@@H](C[NH2+]Cc3cccc(C#N)c3)[C@H](C)C2)n1	ZINC001093910284	959175206	/nfs/dbraw/zinc/17/52/06/959175206.db2.gz	NZKHWHSNHAYWKB-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3ccnc3)cn2)C1	ZINC001197751966	972413549	/nfs/dbraw/zinc/41/35/49/972413549.db2.gz	GLJZCYMXZVWLSA-BMGDILEWSA-N	1	0	355.442	1.397	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H]3CCN(C(C)C)C3=O)[C@H](C)C2)cc1	ZINC001093957182	959348477	/nfs/dbraw/zinc/34/84/77/959348477.db2.gz	LMIBKSRNMYDYGP-AHRSYUTCSA-N	1	0	367.493	1.975	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cncc(OC)n3)[C@H](C)C2)cc1	ZINC001093957234	959350523	/nfs/dbraw/zinc/35/05/23/959350523.db2.gz	NCKMXIFTXQIGEB-CRAIPNDOSA-N	1	0	364.449	1.964	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]C[C@H]3CCc4ncnn43)[C@H](C)C2)cc1	ZINC001093957927	959353904	/nfs/dbraw/zinc/35/39/04/959353904.db2.gz	XTEIGYCQRISQQU-ATZDWAIDSA-N	1	0	363.465	1.745	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C[NH+](C)C)C2	ZINC001110152432	959420816	/nfs/dbraw/zinc/42/08/16/959420816.db2.gz	UJJYVSVNUKVZAF-NEWSRXKRSA-N	1	0	370.497	1.386	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C[NH+](C)C)C2	ZINC001110152513	959427604	/nfs/dbraw/zinc/42/76/04/959427604.db2.gz	XREXEUWYYBDLHN-HOJAQTOUSA-N	1	0	355.482	1.733	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3[C@@H](CCCC)C(N)=O)CC1	ZINC001110152064	959524326	/nfs/dbraw/zinc/52/43/26/959524326.db2.gz	HSPDUXAAJLJDJF-XWSJACJDSA-N	1	0	374.529	1.097	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]C[C@@H]3CCCS(=O)(=O)C3)[C@H](C)C2)C1	ZINC001094026320	959547485	/nfs/dbraw/zinc/54/74/85/959547485.db2.gz	CUYQEQFDDCNBTE-IXDOHACOSA-N	1	0	368.543	1.852	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(N)=O)nn1)C2	ZINC001110152718	959628465	/nfs/dbraw/zinc/62/84/65/959628465.db2.gz	CKLXUAKDDPZPGH-YCPHGPKFSA-N	1	0	362.478	1.069	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+][C@H](C)c3nc(C)no3)[C@H](C)C2)nn1	ZINC001094095148	959770835	/nfs/dbraw/zinc/77/08/35/959770835.db2.gz	GYMKMOSKCXTNLK-YRGRVCCFSA-N	1	0	359.434	1.214	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nc(CC)no2)[C@H](C)C1	ZINC001094103736	959884401	/nfs/dbraw/zinc/88/44/01/959884401.db2.gz	ZUUUGWLPFXSXOO-BSXFFOKHSA-N	1	0	362.474	1.797	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nc(CCC)no3)[C@H](C)C2)cn1	ZINC001094174444	959977327	/nfs/dbraw/zinc/97/73/27/959977327.db2.gz	IOTOXEBAFCEQTC-GDBMZVCRSA-N	1	0	367.453	1.896	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]Cc2ccnn2C)[C@H](C)C1	ZINC001094189787	960075922	/nfs/dbraw/zinc/07/59/22/960075922.db2.gz	MLSAKZKIZMTBCP-VQIMIIECSA-N	1	0	350.466	1.828	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3ccc(C)nc23)C1	ZINC001197852284	972478859	/nfs/dbraw/zinc/47/88/59/972478859.db2.gz	VDTLMQPCPHPYPO-IAGOWNOFSA-N	1	0	359.474	1.783	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)c2nonc2C)C[C@H]1C	ZINC001094256561	960232189	/nfs/dbraw/zinc/23/21/89/960232189.db2.gz	VZTONGRTWDAUKE-MLGOLLRUSA-N	1	0	369.425	1.756	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@@]3(CNC(=O)c4cn(C)cn4)CCC[C@@H]23)C1=O	ZINC001094391413	960336066	/nfs/dbraw/zinc/33/60/66/960336066.db2.gz	HXXWNBQWTHKWRR-MBOZVWFJSA-N	1	0	371.485	1.181	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@]3(CNC(=O)c4cocn4)CCC[C@@H]23)C1=O	ZINC001094378369	960371239	/nfs/dbraw/zinc/37/12/39/960371239.db2.gz	OGODJGDGUJFMIT-FRQCXROJSA-N	1	0	358.442	1.436	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1	ZINC000773281863	960379368	/nfs/dbraw/zinc/37/93/68/960379368.db2.gz	KCKNIABUHYPZFD-MRXNPFEDSA-N	1	0	373.453	1.206	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cn(-c4cccnc4)nn3)CCC[C@@H]12	ZINC001094430108	960435240	/nfs/dbraw/zinc/43/52/40/960435240.db2.gz	YIZVSIZCAAKUNL-IEBWSBKVSA-N	1	0	350.426	1.270	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)c3nc4ncc(C)cn4n3)CCC[C@@H]12	ZINC001094443189	960510653	/nfs/dbraw/zinc/51/06/53/960510653.db2.gz	VBDHMUMAJJWOAJ-DNVCBOLYSA-N	1	0	354.458	1.983	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4c(c3)NC(=O)CO4)CCC[C@@H]12	ZINC001094459091	960558763	/nfs/dbraw/zinc/55/87/63/960558763.db2.gz	BQGPNUOZCVJRTI-OXQOHEQNSA-N	1	0	370.453	1.963	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4c(c3)ncn4C)CCC[C@@H]12	ZINC001094487426	960578013	/nfs/dbraw/zinc/57/80/13/960578013.db2.gz	XSLSSNBYRYDAQH-YLJYHZDGSA-N	1	0	351.454	1.966	20	30		FDEDRO
CCOC(=O)CC1([NH3+])CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1	ZINC001181206675	960646682	/nfs/dbraw/zinc/64/66/82/960646682.db2.gz	BLKVWHISADNANS-UHFFFAOYSA-N	1	0	373.453	1.989	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4nc(C)nn4C3)CCC[C@@H]12	ZINC001094479224	960655914	/nfs/dbraw/zinc/65/59/14/960655914.db2.gz	SHZNSQYDCVLOLU-SQGPQFPESA-N	1	0	355.486	1.533	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCc1ccnn1C)CC2	ZINC001094515781	960708376	/nfs/dbraw/zinc/70/83/76/960708376.db2.gz	KWNQJYVPFYKDPA-RCLSDMTESA-N	1	0	372.513	1.915	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCN(C)S3(=O)=O)CCC[C@@H]12	ZINC001094535491	960754531	/nfs/dbraw/zinc/75/45/31/960754531.db2.gz	DGXVSTGLORNJLE-JFIYKMOQSA-N	1	0	369.531	1.347	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@]3(CNC(=O)c4ccncn4)CCC[C@@H]23)C1=O	ZINC001094538423	960767928	/nfs/dbraw/zinc/76/79/28/960767928.db2.gz	FTFXGKLBSVZQFH-MBOZVWFJSA-N	1	0	369.469	1.238	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@@H](C)O)CC2	ZINC001094563641	960822867	/nfs/dbraw/zinc/82/28/67/960822867.db2.gz	KGRAZALLXSHYER-WRWLIDTKSA-N	1	0	357.454	1.449	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2OCC[C@H]2C(C)C)C[C@H]1C	ZINC001181499332	960876772	/nfs/dbraw/zinc/87/67/72/960876772.db2.gz	AQJSWYJSKILFDM-NDUPCHFUSA-N	1	0	365.518	1.424	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)C2	ZINC001110159207	960884796	/nfs/dbraw/zinc/88/47/96/960884796.db2.gz	DQHDZIKNVMQNFH-SQNIBIBYSA-N	1	0	364.534	1.473	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@@]1(C)C[NH2+]Cc1ccccc1C#N	ZINC001181772504	961094034	/nfs/dbraw/zinc/09/40/34/961094034.db2.gz	QAYBAYSETNFXAP-KPYYAMLLSA-N	1	0	371.481	1.936	20	30		FDEDRO
CC1(C)CCC[N@H+](CCNC(=O)C(=O)Nc2cccc(OCC#N)c2)C1	ZINC000773948439	961180216	/nfs/dbraw/zinc/18/02/16/961180216.db2.gz	HCLUAQMDONNXML-UHFFFAOYSA-N	1	0	358.442	1.766	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCO[C@H]1C1CC1	ZINC001171860076	961330010	/nfs/dbraw/zinc/33/00/10/961330010.db2.gz	KWHLIVFVSKEQEW-KYJSFNMBSA-N	1	0	351.491	1.368	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1	ZINC000954064272	1013253069	/nfs/dbraw/zinc/25/30/69/1013253069.db2.gz	IKAWEAKCOPEQTP-SQNIBIBYSA-N	1	0	363.502	1.511	20	30		FDEDRO
CCN1CC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3C#N)CC2)CC1=O	ZINC001172033022	961419915	/nfs/dbraw/zinc/41/99/15/961419915.db2.gz	VKSSUJXLCNDIGW-KRWDZBQOSA-N	1	0	354.454	1.763	20	30		FDEDRO
CCN1CC[C@H]([N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC1=O	ZINC001172038724	961433539	/nfs/dbraw/zinc/43/35/39/961433539.db2.gz	DGUVALVMFKNWHI-LAUBAEHRSA-N	1	0	366.465	1.998	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@@H]2COC[C@H](C(=O)N3CCCO3)[C@@H]2C1	ZINC001172309240	961617461	/nfs/dbraw/zinc/61/74/61/961617461.db2.gz	RULTYVLMWGACTJ-OBZTUIKSSA-N	1	0	369.465	1.848	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)[NH+]1CC(N2CCN(c3ncccn3)CC2)C1	ZINC001172309523	961618172	/nfs/dbraw/zinc/61/81/72/961618172.db2.gz	UUZPUMUYUYLBOJ-QGZVFWFLSA-N	1	0	362.481	1.786	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(C(=O)OC)cc2)c1C#N	ZINC001182253339	961659227	/nfs/dbraw/zinc/65/92/27/961659227.db2.gz	XXMRQWKMUPFVDA-UHFFFAOYSA-N	1	0	355.398	1.401	20	30		FDEDRO
CSCC[C@H](NC(=O)[C@H](CC(C)C)[NH2+][C@H](C)CCCC#N)C(N)=O	ZINC001172492086	961685801	/nfs/dbraw/zinc/68/58/01/961685801.db2.gz	QCZPSDBUKYBDBO-ILXRZTDVSA-N	1	0	356.536	1.796	20	30		FDEDRO
C#CCN(C(=O)NCC1([NH+](C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1	ZINC000774147202	961771480	/nfs/dbraw/zinc/77/14/80/961771480.db2.gz	SSSZHEHQDDSCCZ-HNNXBMFYSA-N	1	0	355.504	1.083	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2COCCC23OCCO3)C[C@H]1C#N	ZINC001172969011	961854235	/nfs/dbraw/zinc/85/42/35/961854235.db2.gz	RRRAVONPOJJYPE-QLFBSQMISA-N	1	0	367.446	1.400	20	30		FDEDRO
CN1CCO[C@H]2C[N@@H+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@H]21	ZINC001172987894	961869042	/nfs/dbraw/zinc/86/90/42/961869042.db2.gz	HLLKJWYNWJDPRB-JONQDZQNSA-N	1	0	350.463	1.293	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCC(=O)N3CCC[C@H]3C2)C[C@H]1C#N	ZINC001172994703	961902598	/nfs/dbraw/zinc/90/25/98/961902598.db2.gz	YLVFYNPWAUKQCA-JYJNAYRXSA-N	1	0	362.474	1.975	20	30		FDEDRO
C=C(C)C(=O)NCCC[NH2+]C1CCN(C(=O)c2ccc(OC)cc2)CC1	ZINC001173400314	962078809	/nfs/dbraw/zinc/07/88/09/962078809.db2.gz	ZMYLYYHKSIBZFX-UHFFFAOYSA-N	1	0	359.470	1.972	20	30		FDEDRO
CC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1	ZINC001173436533	962105142	/nfs/dbraw/zinc/10/51/42/962105142.db2.gz	VYZWQQWARJPZIH-IBGZPJMESA-N	1	0	354.454	1.715	20	30		FDEDRO
CS(=O)(=O)[C@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1	ZINC001173425693	962134088	/nfs/dbraw/zinc/13/40/88/962134088.db2.gz	HNNZFBQTJUVGIP-QAQDUYKDSA-N	1	0	361.467	1.328	20	30		FDEDRO
COCCn1cncc1C[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1	ZINC001173426063	962136289	/nfs/dbraw/zinc/13/62/89/962136289.db2.gz	NTYOBFQSQXBZET-UHFFFAOYSA-N	1	0	367.453	1.796	20	30		FDEDRO
CCOC(=O)[C@@H]1CN(C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CCO1	ZINC001173432903	962151906	/nfs/dbraw/zinc/15/19/06/962151906.db2.gz	JAAFRVOQUHTGGC-SFHVURJKSA-N	1	0	371.437	1.427	20	30		FDEDRO
CC1(C)[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)[C@H]1c1ccccc1	ZINC001182647079	962401634	/nfs/dbraw/zinc/40/16/34/962401634.db2.gz	LBRQOQGDGLMXEV-NXHRZFHOSA-N	1	0	354.454	1.256	20	30		FDEDRO
CNC(=O)CN1CCOC[C@@]2(CCC[N@@H+](C3CCC(C)(C#N)CC3)C2)C1	ZINC001173595273	962470434	/nfs/dbraw/zinc/47/04/34/962470434.db2.gz	NQNZOGCCDRDMOJ-UUKMXZOPSA-N	1	0	362.518	1.619	20	30		FDEDRO
Cn1ccnc1C(=O)N[C@H]1C[N@@H+](C2CCC(C)(C#N)CC2)[C@@H]2CCCO[C@@H]21	ZINC001173596229	962473436	/nfs/dbraw/zinc/47/34/36/962473436.db2.gz	OKXJDMWBCNBSOV-PVXQGDRASA-N	1	0	371.485	1.854	20	30		FDEDRO
C=CCOCc1nn(C)c2c1C[N@H+]([C@H]1CCC[C@H](n3ncnn3)C1)CC2	ZINC001173755788	962631707	/nfs/dbraw/zinc/63/17/07/962631707.db2.gz	WIXFYUSYYMKGLT-GJZGRUSLSA-N	1	0	357.462	1.651	20	30		FDEDRO
CS(=O)(=O)N(C(=O)COc1ccc(C#N)cc1)c1ccc(C[NH3+])cc1	ZINC001182916894	962659988	/nfs/dbraw/zinc/65/99/88/962659988.db2.gz	LIAPANLUXYRWDA-UHFFFAOYSA-N	1	0	359.407	1.389	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)Nc1ncc(Br)nc1C(=O)OC	ZINC001183027524	962742516	/nfs/dbraw/zinc/74/25/16/962742516.db2.gz	QZBOIJIZMSMIPK-UHFFFAOYSA-N	1	0	369.219	1.616	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CCC2(C[C@@H](c3cnn(C)c3)CO2)CC1	ZINC001183043326	962754953	/nfs/dbraw/zinc/75/49/53/962754953.db2.gz	QBEVGTQJMXDESS-QGZVFWFLSA-N	1	0	358.486	1.937	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1	ZINC001183043795	962756265	/nfs/dbraw/zinc/75/62/65/962756265.db2.gz	ZXYPANXKMCSSKF-HXUWFJFHSA-N	1	0	371.485	1.326	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1	ZINC001183045172	962758542	/nfs/dbraw/zinc/75/85/42/962758542.db2.gz	VLQRCSHNTHFUFM-UHFFFAOYSA-N	1	0	369.391	1.796	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)Nc1cc(=O)n(C)c(=O)n1-c1ccccc1	ZINC001183085862	962783604	/nfs/dbraw/zinc/78/36/04/962783604.db2.gz	LWNMEHRFUTUHEW-UHFFFAOYSA-N	1	0	354.410	1.127	20	30		FDEDRO
C[C@H](CCCC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)[C@H]1C[C@H]1C(N)=O	ZINC001175289961	963126617	/nfs/dbraw/zinc/12/66/17/963126617.db2.gz	XGVDAJCFUMSTRP-WQVCFCJDSA-N	1	0	360.433	1.583	20	30		FDEDRO
C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@H](C#N)Cc1ccc(O)cc1	ZINC001183611318	963143390	/nfs/dbraw/zinc/14/33/90/963143390.db2.gz	FMYCVYMRJHNTNA-YTQUADARSA-N	1	0	356.470	1.311	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1CC	ZINC001175351185	963159724	/nfs/dbraw/zinc/15/97/24/963159724.db2.gz	UIDRRDOZRDDCKC-RRFJBIMHSA-N	1	0	352.479	1.309	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NCC1CCC1	ZINC001175360103	963165617	/nfs/dbraw/zinc/16/56/17/963165617.db2.gz	YOZNNUDWTGWQEU-JQHSSLGASA-N	1	0	365.518	1.758	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)Nc1ccon1	ZINC001175366250	963169693	/nfs/dbraw/zinc/16/96/93/963169693.db2.gz	RZLICQGCCKSSHA-ZNMIVQPWSA-N	1	0	364.446	1.469	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)N(CC)C1CC1	ZINC001175366309	963169875	/nfs/dbraw/zinc/16/98/75/963169875.db2.gz	UCTHDCGSVUFEDV-JQHSSLGASA-N	1	0	365.518	1.853	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@]2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC000957537801	1013408976	/nfs/dbraw/zinc/40/89/76/1013408976.db2.gz	QSFYIGHYOANUTM-ZTQAJYAQSA-N	1	0	354.454	1.124	20	30		FDEDRO
C[NH+](C)CCCNC(=O)c1ccc(Nc2nc(C#N)c(C#N)nc2N)cc1	ZINC001175820287	963302565	/nfs/dbraw/zinc/30/25/65/963302565.db2.gz	RVXJTOAYBBLACR-UHFFFAOYSA-N	1	0	364.413	1.227	20	30		FDEDRO
CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CCOCC1	ZINC001176658700	963520648	/nfs/dbraw/zinc/52/06/48/963520648.db2.gz	WBLAQAQJVNAJCZ-RLFYNMQTSA-N	1	0	367.490	1.767	20	30		FDEDRO
CC(C)C[C@@H](C(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1	ZINC001110211258	963900005	/nfs/dbraw/zinc/90/00/05/963900005.db2.gz	GQJFAGNNFRPIIG-XWSJACJDSA-N	1	0	368.481	1.927	20	30		FDEDRO
Cc1cc(C2OCCO2)c(C)cc1C[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC001177810655	963978286	/nfs/dbraw/zinc/97/82/86/963978286.db2.gz	NFDKAUKKRZXIQJ-HNENSFHCSA-N	1	0	371.437	1.965	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3nnn(C)c31)C2	ZINC001110216471	964073967	/nfs/dbraw/zinc/07/39/67/964073967.db2.gz	PLNOTVUCILFKGB-COXVUDFISA-N	1	0	355.442	1.506	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+][C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C)O3)C2)c1	ZINC001185776146	964096397	/nfs/dbraw/zinc/09/63/97/964096397.db2.gz	UVJORXYVMNLUTK-ZTFGCOKTSA-N	1	0	355.438	1.364	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2cccc(F)c2)C1	ZINC001185750039	964104764	/nfs/dbraw/zinc/10/47/64/964104764.db2.gz	QVAYMZNYGAQTTC-ZACQAIPSSA-N	1	0	361.417	1.546	20	30		FDEDRO
C=CCc1cc(C[NH2+]CC2CCN(S(C)(=O)=O)CC2)cc(OC)c1O	ZINC001178404904	964225355	/nfs/dbraw/zinc/22/53/55/964225355.db2.gz	YZWIJNLXRFLESB-UHFFFAOYSA-N	1	0	368.499	1.891	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCCO1	ZINC000774962839	964231879	/nfs/dbraw/zinc/23/18/79/964231879.db2.gz	JYVXRTWEEBUPOH-FHWLQOOXSA-N	1	0	369.465	1.237	20	30		FDEDRO
C#CCC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3CCO[C@H]3CC)C2)nn1	ZINC001185974078	964244064	/nfs/dbraw/zinc/24/40/64/964244064.db2.gz	IAZCDLINRMZFCA-KURKYZTESA-N	1	0	359.474	1.370	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCCCCCC[NH2+][C@H](C)C(=O)NC1CC1	ZINC001178505982	964260592	/nfs/dbraw/zinc/26/05/92/964260592.db2.gz	KTRYMXKHYKUKLP-NXHRZFHOSA-N	1	0	365.518	1.901	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCCCCCC[NH2+]CC(=O)NC(C)C	ZINC001178509849	964263534	/nfs/dbraw/zinc/26/35/34/964263534.db2.gz	YQDFJZPHQZAFNR-SJORKVTESA-N	1	0	353.507	1.758	20	30		FDEDRO
COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](Oc3ccc(C#N)cc3)C2)C1	ZINC001186106937	964300718	/nfs/dbraw/zinc/30/07/18/964300718.db2.gz	KEKVEQBBIFHVRM-WMZOPIPTSA-N	1	0	371.437	1.423	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H](C)n2cncn2)C1	ZINC001186180785	964332810	/nfs/dbraw/zinc/33/28/10/964332810.db2.gz	QRTSVFZEWFNYIN-SZVBFZGTSA-N	1	0	369.444	1.833	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cc2ccn(C)n2)C1	ZINC001186189292	964338749	/nfs/dbraw/zinc/33/87/49/964338749.db2.gz	LZMTWRMXWRJYEW-YLJYHZDGSA-N	1	0	368.456	1.957	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CNC(=O)CC)C1	ZINC001186172207	964357308	/nfs/dbraw/zinc/35/73/08/964357308.db2.gz	SHLIESDKTMRLPJ-SJLPKXTDSA-N	1	0	359.445	1.507	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCCC(C)(C)C)C1	ZINC001186243499	964370638	/nfs/dbraw/zinc/37/06/38/964370638.db2.gz	ITQHTFWFRCFRTH-RYRKJORJSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1	ZINC001186206179	964373184	/nfs/dbraw/zinc/37/31/84/964373184.db2.gz	LXWXHMUCXDEXLW-BPQIPLTHSA-N	1	0	357.454	1.291	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cn2cncn2)C1	ZINC001186213923	964379030	/nfs/dbraw/zinc/37/90/30/964379030.db2.gz	UDVQRKHZMSWYIZ-SJLPKXTDSA-N	1	0	357.433	1.825	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2sccc2C)[C@H]1C	ZINC001178699544	964380692	/nfs/dbraw/zinc/38/06/92/964380692.db2.gz	VBBQJERXAKQODR-JJXSEGSLSA-N	1	0	359.495	1.488	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)CC12CCOCC2	ZINC001186410171	964478939	/nfs/dbraw/zinc/47/89/39/964478939.db2.gz	PCBXYXKINNQRTA-KSZLIROESA-N	1	0	366.502	1.601	20	30		FDEDRO
C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccnn2C)CC12CCOCC2	ZINC001186432622	964508087	/nfs/dbraw/zinc/50/80/87/964508087.db2.gz	AKHURINBEGEVIT-GVDBMIGSSA-N	1	0	356.470	1.002	20	30		FDEDRO
C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC12CCOCC2	ZINC001186494795	964522958	/nfs/dbraw/zinc/52/29/58/964522958.db2.gz	PSBDMINVQBSZOV-BBWFWOEESA-N	1	0	363.502	1.132	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCOC)C2(C1)CCOCC2	ZINC001186494724	964523131	/nfs/dbraw/zinc/52/31/31/964523131.db2.gz	OEGBGZOJBCBYEV-KURKYZTESA-N	1	0	366.502	1.459	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC12CCOCC2	ZINC001186494796	964523145	/nfs/dbraw/zinc/52/31/45/964523145.db2.gz	PSBDMINVQBSZOV-ZACQAIPSSA-N	1	0	363.502	1.132	20	30		FDEDRO
C[C@H]1[C@@H]([NH2+]CC#Cc2ccccc2)CCN1C(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC001178981664	964569433	/nfs/dbraw/zinc/56/94/33/964569433.db2.gz	BBDFKUJOQYSPAW-LCLWPZTBSA-N	1	0	355.482	1.336	20	30		FDEDRO
COCC[N@H+](C)CCN1C[C@@H](Nc2ccc(C#N)cc2[N+](=O)[O-])CC1=O	ZINC001186757630	964713723	/nfs/dbraw/zinc/71/37/23/964713723.db2.gz	YJILYODJXDSAMD-AWEZNQCLSA-N	1	0	361.402	1.057	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N(CC)c1ccccc1	ZINC001110384906	964781883	/nfs/dbraw/zinc/78/18/83/964781883.db2.gz	CRKNSEWTVDPTDE-QRVBRYPASA-N	1	0	371.481	1.964	20	30		FDEDRO
C[C@@H]1CCO[C@@H]1C(=O)NC1CC(C[NH2+]Cc2ccc(OCC#N)cc2)C1	ZINC000962316886	1013525770	/nfs/dbraw/zinc/52/57/70/1013525770.db2.gz	FAUSFSWOUHQKQN-MRTGAJDVSA-N	1	0	357.454	1.998	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N(C(C)C)C(C)C)[C@@H]1C	ZINC001179565638	964901603	/nfs/dbraw/zinc/90/16/03/964901603.db2.gz	LMWUBVMHQLENAM-MHORFTMASA-N	1	0	365.518	1.802	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2C)[C@H]1C	ZINC001179695024	964946320	/nfs/dbraw/zinc/94/63/20/964946320.db2.gz	GNJINXZTYMUQLM-KANFNMMFSA-N	1	0	355.482	1.980	20	30		FDEDRO
C=CCN1CCN(C(=O)C2(O)CCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC001179742726	964956224	/nfs/dbraw/zinc/95/62/24/964956224.db2.gz	SOKGHENBQTVFSI-UHFFFAOYSA-N	1	0	353.463	1.079	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCCCCC[NH2+][C@@H]1CCCNC1=O	ZINC001179781028	964975685	/nfs/dbraw/zinc/97/56/85/964975685.db2.gz	FMWKFOVGUVFZFM-KSZLIROESA-N	1	0	365.518	1.903	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC2)C1	ZINC001111559842	965025710	/nfs/dbraw/zinc/02/57/10/965025710.db2.gz	IPEBBIGYTRDOCT-RFUYNDQBSA-N	1	0	362.474	1.158	20	30		FDEDRO
COCC#CC(=O)N1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1	ZINC001187125795	965029948	/nfs/dbraw/zinc/02/99/48/965029948.db2.gz	SVZSEZMHNFKARE-IBGZPJMESA-N	1	0	371.481	1.561	20	30		FDEDRO
C=CCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCCN(c4cnn(C)c4)C3=O)C[C@H]21	ZINC001187240697	965114794	/nfs/dbraw/zinc/11/47/94/965114794.db2.gz	XGCZAAKTYKSTDB-CGTJXYLNSA-N	1	0	371.485	1.414	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc4oc(=O)n(C)c4c3)C[C@H]21	ZINC001187319874	965241697	/nfs/dbraw/zinc/24/16/97/965241697.db2.gz	FLCGCRGQNJLBRD-DOTOQJQBSA-N	1	0	371.437	1.367	20	30		FDEDRO
COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCC[C@H](C#N)C1	ZINC001180407371	965311808	/nfs/dbraw/zinc/31/18/08/965311808.db2.gz	KQLTVRSVFPPHKT-FGTMMUONSA-N	1	0	355.438	1.670	20	30		FDEDRO
COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N(CCC#N)CCC#N	ZINC001180408265	965312518	/nfs/dbraw/zinc/31/25/18/965312518.db2.gz	SCUYKKMPXHPZJG-ZWKOTPCHSA-N	1	0	368.437	1.564	20	30		FDEDRO
C[C@H](C(=O)NC1CCN(C(=O)c2ccccc2C#N)CC1)[NH+]1CCCC1	ZINC001180586406	965427362	/nfs/dbraw/zinc/42/73/62/965427362.db2.gz	RRIUDPHMEVPOSP-OAHLLOKOSA-N	1	0	354.454	1.763	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C1CCCC1	ZINC001180627391	965449562	/nfs/dbraw/zinc/44/95/62/965449562.db2.gz	GYRMEOBKGZLTBW-OAHLLOKOSA-N	1	0	350.463	1.832	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@H+](C/C=C\c3ccccc3)C[C@H]21	ZINC001187598370	965519125	/nfs/dbraw/zinc/51/91/25/965519125.db2.gz	OZKJMCOQTJBRRU-OSDWJDLUSA-N	1	0	351.450	1.372	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H](CC#N)C(=O)N1CC[NH+](C2CCOCC2)CC1	ZINC001180781605	965592891	/nfs/dbraw/zinc/59/28/91/965592891.db2.gz	RLKUOPLVPPKURY-HNNXBMFYSA-N	1	0	366.462	1.117	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CC[C@H]2C[N@H+](CCOCC(F)(F)F)C[C@H]21	ZINC001187699416	965645749	/nfs/dbraw/zinc/64/57/49/965645749.db2.gz	XKQDCYFNQOOPPN-GUTXKFCHSA-N	1	0	350.381	1.425	20	30		FDEDRO
C[C@@H](C(=O)N1CCC[C@]2(C1)COCCN(c1cccc(C#N)c1)C2)[NH+](C)C	ZINC001180864245	965658645	/nfs/dbraw/zinc/65/86/45/965658645.db2.gz	MZZYYDUTNZHLBF-UWJYYQICSA-N	1	0	370.497	1.954	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CC[C@H]2CN(Cc3cc4n(n3)CCCC4)C[C@H]21	ZINC001187763198	965728539	/nfs/dbraw/zinc/72/85/39/965728539.db2.gz	MZARMRBDEBKKDT-CVAIRZPRSA-N	1	0	358.486	1.579	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](CCOc3cccc(C)c3)C[C@H]21	ZINC001187865180	965809279	/nfs/dbraw/zinc/80/92/79/965809279.db2.gz	LMNHSLBFCCKKKS-WSTZPKSXSA-N	1	0	356.466	1.945	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3N(C)C)C[C@H]21	ZINC001187882687	965883440	/nfs/dbraw/zinc/88/34/40/965883440.db2.gz	SNXFPKOWSHSJRF-XKGZKEIXSA-N	1	0	355.482	1.824	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc4c(c3)COC4)C[C@H]21	ZINC001187882988	965885705	/nfs/dbraw/zinc/88/57/05/965885705.db2.gz	ZFNCRHFDKDPXPE-RIFZZMRRSA-N	1	0	354.450	1.788	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CNC(=O)c3ccncc3)[C@@H]2C1	ZINC001187991587	965947651	/nfs/dbraw/zinc/94/76/51/965947651.db2.gz	TWDUKXILLQOYPN-BPQIPLTHSA-N	1	0	356.470	1.699	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)CC)[C@@H]2C1	ZINC001187991924	965948837	/nfs/dbraw/zinc/94/88/37/965948837.db2.gz	YVZZPUVGZSDNFM-YESZJQIVSA-N	1	0	371.547	1.593	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)NC(=O)COC)[C@@H]2C1	ZINC001187996665	965951357	/nfs/dbraw/zinc/95/13/57/965951357.db2.gz	JAKCDUMMEKQXOI-IXDOHACOSA-N	1	0	353.507	1.641	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3nnn(C(C)(C)C)n3)[C@@H]2C1	ZINC001188004174	965957118	/nfs/dbraw/zinc/95/71/18/965957118.db2.gz	CZYVFATUBPPMOR-OWCLPIDISA-N	1	0	360.506	1.858	20	30		FDEDRO
C=C(Cl)CN1C[C@@H]2CCN(C(=O)CNC(=O)c3ccoc3C)[C@@H]2C1	ZINC001188004362	965957543	/nfs/dbraw/zinc/95/75/43/965957543.db2.gz	HBWGXHPYKFBPKM-DZGCQCFKSA-N	1	0	351.834	1.603	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)NC(=O)CC(F)(F)F)[C@@H]2C1	ZINC001188018420	965975770	/nfs/dbraw/zinc/97/57/70/965975770.db2.gz	IHRVFMAHJPFRHM-MELADBBJSA-N	1	0	361.408	1.942	20	30		FDEDRO
C=C(C)CCC(=O)N1CC[C@H]2CN([C@@H](C)C(=O)Nc3ncccn3)C[C@H]21	ZINC001188081074	965996793	/nfs/dbraw/zinc/99/67/93/965996793.db2.gz	WMRHJZKXWFKTNS-HRCADAONSA-N	1	0	357.458	1.693	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)COc3ccc(F)cc3F)[C@@H]2C1	ZINC001188107128	966018935	/nfs/dbraw/zinc/01/89/35/966018935.db2.gz	HRKNWZGHARZZQK-WMLDXEAASA-N	1	0	364.392	1.526	20	30		FDEDRO
C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)C2)C1	ZINC000964486527	1013633504	/nfs/dbraw/zinc/63/35/04/1013633504.db2.gz	GPWGLNBPINWSCJ-INFDXNDLSA-N	1	0	363.502	1.069	20	30		FDEDRO
C=C[C@@H]1C[C@]1(NC(=O)c1ccccc1CN1CC[NH+](C)CC1)C(=O)OCC	ZINC001188364663	966236943	/nfs/dbraw/zinc/23/69/43/966236943.db2.gz	FJCXILUJQPIJFH-DYESRHJHSA-N	1	0	371.481	1.672	20	30		FDEDRO
C=C[C@@H]1C[C@@]1(NC(=O)c1ccccc1CN1CC[NH+](C)CC1)C(=O)OCC	ZINC001188364667	966237263	/nfs/dbraw/zinc/23/72/63/966237263.db2.gz	FJCXILUJQPIJFH-UTKZUKDTSA-N	1	0	371.481	1.672	20	30		FDEDRO
C[NH+]1CCN(Cc2ccccc2C(=O)NCc2ncc(C#N)s2)CC1	ZINC001188366210	966238515	/nfs/dbraw/zinc/23/85/15/966238515.db2.gz	REOBGYNQEMHYFT-UHFFFAOYSA-N	1	0	355.467	1.692	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC3CC(F)(F)C3)[C@@H]2C1	ZINC001188370040	966242729	/nfs/dbraw/zinc/24/27/29/966242729.db2.gz	WERODDYIPLBKQC-VHDGCEQUSA-N	1	0	355.429	1.645	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc4ncn(C)c43)[C@@H]2C1	ZINC001188382210	966250906	/nfs/dbraw/zinc/25/09/06/966250906.db2.gz	HNJPWYDLRKTNHQ-MAUKXSAKSA-N	1	0	352.438	1.369	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(c3)ncn4C)[C@@H]2C1	ZINC001188383077	966250999	/nfs/dbraw/zinc/25/09/99/966250999.db2.gz	NWIBBQDERSMDEI-QFBILLFUSA-N	1	0	354.454	1.922	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)CCCCNC(N)=O)[C@@H]3C2)cc1	ZINC001188485823	966314031	/nfs/dbraw/zinc/31/40/31/966314031.db2.gz	NXCDXZNFDBOFFP-ZWKOTPCHSA-N	1	0	369.469	1.430	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3nc(C(C)C)no3)[C@@H]2C1	ZINC001188739475	966548131	/nfs/dbraw/zinc/54/81/31/966548131.db2.gz	RRKKONRRPCGSNI-JKSUJKDBSA-N	1	0	362.474	1.861	20	30		FDEDRO
CC#CCCCC(=O)N1CC[C@H]2CN(CC(=O)Nc3cc(C)nn3C)C[C@H]21	ZINC001188865263	966605730	/nfs/dbraw/zinc/60/57/30/966605730.db2.gz	AMHUUTTVZRIRPT-DLBZAZTESA-N	1	0	371.485	1.393	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCOc1ccccc1	ZINC001110403592	966621427	/nfs/dbraw/zinc/62/14/27/966621427.db2.gz	VJRNQCVFDDCHFU-ISARSNTHSA-N	1	0	357.454	1.963	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4ccccc4n3C)[C@@H]2C1	ZINC001188956491	966671156	/nfs/dbraw/zinc/67/11/56/966671156.db2.gz	LZXDDOZXCLQPRK-FXAWDEMLSA-N	1	0	351.450	1.974	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3nn(C)c4c3CCCC4)[C@@H]2C1	ZINC001189187809	966812571	/nfs/dbraw/zinc/81/25/71/966812571.db2.gz	UZXYEOAGRNFUPP-MAUKXSAKSA-N	1	0	358.486	1.648	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852359948	967249978	/nfs/dbraw/zinc/24/99/78/967249978.db2.gz	PPXGKNCGHNTATR-RTBURBONSA-N	1	0	370.497	1.982	20	30		FDEDRO
C#CCC[NH+]1CCN(C[C@H](O)COc2ccc(C(C)=O)cc2OC)CC1	ZINC000776592423	967278976	/nfs/dbraw/zinc/27/89/76/967278976.db2.gz	FRUUKXIKCWRGQS-SFHVURJKSA-N	1	0	360.454	1.278	20	30		FDEDRO
C#CCN(CC(=O)NC1CC[NH+](C(C)C)CC1)CC(=O)OC(C)(C)C	ZINC000852429215	967294400	/nfs/dbraw/zinc/29/44/00/967294400.db2.gz	GKMAIKOIBHZESU-UHFFFAOYSA-N	1	0	351.491	1.252	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3nn(C)c4ccccc43)[C@@H]2C1	ZINC001189864549	967314397	/nfs/dbraw/zinc/31/43/97/967314397.db2.gz	CPOOXGGWJINQCW-MAUKXSAKSA-N	1	0	352.438	1.369	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CCCO[C@H]4CCOC4)C[C@H]32)nc1	ZINC001189843359	967341869	/nfs/dbraw/zinc/34/18/69/967341869.db2.gz	GUWZXBFKXRCDPE-CMKODMSKSA-N	1	0	369.465	1.405	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H](CCCC)C(N)=O)C[C@H]32)cn1	ZINC001189851798	967354675	/nfs/dbraw/zinc/35/46/75/967354675.db2.gz	POZUINIJRZDEAB-CGTJXYLNSA-N	1	0	354.454	1.253	20	30		FDEDRO
N#CCNC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1	ZINC000852475371	967359468	/nfs/dbraw/zinc/35/94/68/967359468.db2.gz	ZWNQUTHFHOBFTO-QWHCGFSZSA-N	1	0	360.380	1.282	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]21	ZINC001189941743	967443157	/nfs/dbraw/zinc/44/31/57/967443157.db2.gz	CWIYTBYLBQWAFG-VQTJNVASSA-N	1	0	365.477	1.269	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH+]1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1	ZINC000852600513	967456431	/nfs/dbraw/zinc/45/64/31/967456431.db2.gz	JCMMBZSTGTYWEU-DZGCQCFKSA-N	1	0	373.419	1.637	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H]2CCc3ncnn32)CCC1	ZINC001110652567	967465081	/nfs/dbraw/zinc/46/50/81/967465081.db2.gz	KFUMMARGVXDNTR-VQHPVUNQSA-N	1	0	353.470	1.681	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(c3)N(C)CC4)[C@@H]2C1	ZINC001189992293	967484411	/nfs/dbraw/zinc/48/44/11/967484411.db2.gz	GXNCYLQDLRFYKQ-AZUAARDMSA-N	1	0	353.466	1.475	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH+]2CCC3(CCc4ccccc4O3)CC2)CC1	ZINC000852675204	967525194	/nfs/dbraw/zinc/52/51/94/967525194.db2.gz	SMKGFFRGSGXAAR-UHFFFAOYSA-N	1	0	367.493	1.624	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@H](C(C)C)[C@H](O)c1ccc(Cl)cc1	ZINC000852730649	967556230	/nfs/dbraw/zinc/55/62/30/967556230.db2.gz	FRCWLPGACXCPRH-JKSUJKDBSA-N	1	0	353.850	1.999	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H](C(C)C)[C@H](O)c1ccc(Cl)cc1	ZINC000852730647	967556307	/nfs/dbraw/zinc/55/63/07/967556307.db2.gz	FRCWLPGACXCPRH-HZPDHXFCSA-N	1	0	353.850	1.999	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])cc1	ZINC000852816854	967629844	/nfs/dbraw/zinc/62/98/44/967629844.db2.gz	HWEUXCONTJIHPF-JXGZPRAZSA-N	1	0	364.471	1.565	20	30		FDEDRO
CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C#CC2CC[NH2+]CC2)cc1	ZINC000852848364	967654282	/nfs/dbraw/zinc/65/42/82/967654282.db2.gz	IECOUBWMAUPGHV-CQSZACIVSA-N	1	0	371.437	1.310	20	30		FDEDRO
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C#CC3CC[NH2+]CC3)cc2)C1	ZINC000852861631	967667489	/nfs/dbraw/zinc/66/74/89/967667489.db2.gz	YHRGYLXHVHIEEP-GOSISDBHSA-N	1	0	368.481	1.008	20	30		FDEDRO
NC(=O)C1CCN(c2ccccc2NC(=O)C#CC2CC[NH2+]CC2)CC1	ZINC000852863822	967669461	/nfs/dbraw/zinc/66/94/61/967669461.db2.gz	JGZFAYJMJGCSFE-UHFFFAOYSA-N	1	0	354.454	1.330	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)Nc1cccc(CN2CCCS2(=O)=O)c1	ZINC000852900255	967695663	/nfs/dbraw/zinc/69/56/63/967695663.db2.gz	JNGLDRBOKBLETF-UHFFFAOYSA-N	1	0	361.467	1.164	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CNC(=O)NCc3ccco3)[C@@H]2C1	ZINC001190317631	967730677	/nfs/dbraw/zinc/73/06/77/967730677.db2.gz	JYRSTJROVQEWKU-DOTOQJQBSA-N	1	0	360.458	1.578	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)COC[C@H]4CCCO4)[C@@H]3C2)cc1	ZINC001190520236	967917540	/nfs/dbraw/zinc/91/75/40/967917540.db2.gz	ZFFMZHMQNXLWDA-XUVXKRRUSA-N	1	0	369.465	1.787	20	30		FDEDRO
N#Cc1ccc(C(=O)N(c2ncccc2F)[C@H]2CO[C@]3(CC[NH2+]C3)C2)nc1	ZINC001190583516	967968470	/nfs/dbraw/zinc/96/84/70/967968470.db2.gz	CYCQCTALINHLCI-AUUYWEPGSA-N	1	0	367.384	1.655	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)CN(C[N@@H+]3CC[C@H]4COC[C@@H]4C3)C2=O)cc1	ZINC000853588745	968153416	/nfs/dbraw/zinc/15/34/16/968153416.db2.gz	RBIGCINMXFNYCG-IRXDYDNUSA-N	1	0	354.410	1.248	20	30		FDEDRO
C#C[C@H](NC(=O)Nc1ccccc1N1CC[NH+](C)CC1)C1CCOCC1	ZINC000853859208	968376520	/nfs/dbraw/zinc/37/65/20/968376520.db2.gz	SSLQOXRORUNWLI-KRWDZBQOSA-N	1	0	356.470	1.988	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c(cn1)OCCO3)C2	ZINC001110676893	968526641	/nfs/dbraw/zinc/52/66/41/968526641.db2.gz	ZMNWNWXDXYZIBO-FMKPAKJESA-N	1	0	359.426	1.391	20	30		FDEDRO
N#Cc1cc(C(=O)N(Cc2cnc3n2CC[NH2+]CC3)c2ccccn2)ccn1	ZINC001191548928	968605692	/nfs/dbraw/zinc/60/56/92/968605692.db2.gz	PNBWEAYSLQEQCS-UHFFFAOYSA-N	1	0	373.420	1.537	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](CCCCC(F)(F)F)C[C@H]1O	ZINC001192053674	968930669	/nfs/dbraw/zinc/93/06/69/968930669.db2.gz	COMGMHQRFUSHGG-ZIAGYGMSSA-N	1	0	352.397	1.863	20	30		FDEDRO
N#CC1(NC(=O)c2[nH]nc3c2COCC3)CC[NH+](Cc2ccccc2)CC1	ZINC001152015371	969053989	/nfs/dbraw/zinc/05/39/89/969053989.db2.gz	CUJJFVRIEFOFNV-UHFFFAOYSA-N	1	0	365.437	1.771	20	30		FDEDRO
N#Cc1ccc(C(=O)N(c2ncccc2F)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)o1	ZINC001192676666	969226768	/nfs/dbraw/zinc/22/67/68/969226768.db2.gz	VGIINYWACHZUCR-KPZWWZAWSA-N	1	0	356.357	1.853	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@@H](CNC(=O)c3ccc(C#N)o3)C[C@H]2C1	ZINC001192684158	969229879	/nfs/dbraw/zinc/22/98/79/969229879.db2.gz	PNADOXGLLQHHGP-KGLIPLIRSA-N	1	0	374.441	1.822	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCNC(=O)C2CC2)C1	ZINC001192767559	969276337	/nfs/dbraw/zinc/27/63/37/969276337.db2.gz	XWQFOFGOMBYWNE-SQNIBIBYSA-N	1	0	363.502	1.417	20	30		FDEDRO
COCC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1	ZINC001192767072	969276710	/nfs/dbraw/zinc/27/67/10/969276710.db2.gz	LOVYYESKOOAYCP-YSIASYRMSA-N	1	0	356.466	1.981	20	30		FDEDRO
C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CCN(S(=O)(=O)CC#N)CC2	ZINC001192951637	969370881	/nfs/dbraw/zinc/37/08/81/969370881.db2.gz	KVYIWQLGZUOZEK-CQSZACIVSA-N	1	0	353.444	1.188	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CCOC)nc2C)C1	ZINC001192931419	969386930	/nfs/dbraw/zinc/38/69/30/969386930.db2.gz	JORCCWSBLPRUSC-QZTJIDSGSA-N	1	0	364.490	1.359	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(C(=O)CC)C2)C1	ZINC001193157472	969519155	/nfs/dbraw/zinc/51/91/55/969519155.db2.gz	JZIHHLFJOWMUPX-RCCFBDPRSA-N	1	0	367.534	1.767	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3cc(OC)ccc32)C1	ZINC001193551383	969756220	/nfs/dbraw/zinc/75/62/20/969756220.db2.gz	FXSFPWVCEHYGMY-IPMKNSEASA-N	1	0	360.454	1.089	20	30		FDEDRO
COc1ccc(C#N)c(S(=O)(=O)N2CC3(C2)CC[N@H+](CC2CC2)C3)c1	ZINC001193656869	969796168	/nfs/dbraw/zinc/79/61/68/969796168.db2.gz	UCSGDPYVNOVIMI-UHFFFAOYSA-N	1	0	361.467	1.673	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCCC3CCCC3)C[C@H]2O)CCOCC1	ZINC001193719854	969841340	/nfs/dbraw/zinc/84/13/40/969841340.db2.gz	SEMZIAARNZXRRN-RTBURBONSA-N	1	0	362.514	1.938	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c(C)nc(=O)[nH]c2C)C1	ZINC001193766008	969863113	/nfs/dbraw/zinc/86/31/13/969863113.db2.gz	NOVCMTVIWZOSQE-JCURWCKSSA-N	1	0	362.474	1.248	20	30		FDEDRO
CCCCCCCCOCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1O	ZINC001193828636	969887011	/nfs/dbraw/zinc/88/70/11/969887011.db2.gz	SJVDBOVPSOEYRE-GUDVDZBRSA-N	1	0	370.534	1.951	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC(F)F)n2)C1	ZINC001193970761	969941306	/nfs/dbraw/zinc/94/13/06/969941306.db2.gz	NZWSLJKTVJUYQR-HUUCEWRRSA-N	1	0	358.433	1.894	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCc2cc(C)on2)C1	ZINC001194054910	969977202	/nfs/dbraw/zinc/97/72/02/969977202.db2.gz	UDOCCPCKOKRNAS-IAGOWNOFSA-N	1	0	351.447	1.407	20	30		FDEDRO
N#Cc1cncc(C(=O)N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)c1	ZINC001194108734	969995300	/nfs/dbraw/zinc/99/53/00/969995300.db2.gz	SHEKFCNXMUZJII-WDYCEAGBSA-N	1	0	363.421	1.762	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COCc2cc[nH]c(=O)c2)C1	ZINC001194110342	969997006	/nfs/dbraw/zinc/99/70/06/969997006.db2.gz	ZWMHYKMVZZHMSE-IAGOWNOFSA-N	1	0	363.458	1.212	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cccc3)c2)C1	ZINC001194469405	970183265	/nfs/dbraw/zinc/18/32/65/970183265.db2.gz	ZDFISBXYEHDUHX-RTBURBONSA-N	1	0	355.438	1.455	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc(CC(C)C)cc2)C1	ZINC001194483142	970210118	/nfs/dbraw/zinc/21/01/18/970210118.db2.gz	CBBRGKFOVRAFRA-WOJBJXKFSA-N	1	0	360.498	1.792	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Br)c[nH]2)C1	ZINC001194500674	970221211	/nfs/dbraw/zinc/22/12/11/970221211.db2.gz	USUQPHGEZGOTTR-LERXQTSPSA-N	1	0	356.264	1.907	20	30		FDEDRO
C#C[C@H](C)NC(=O)c1ccc(Br)cc1N1CC[NH+](C)CC1	ZINC001194612317	970290330	/nfs/dbraw/zinc/29/03/30/970290330.db2.gz	XMYOQKAIHSPYGR-LBPRGKRZSA-N	1	0	350.260	1.952	20	30		FDEDRO
COC(=O)N1CCC([C@H](C)[NH2+][C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1	ZINC000776808794	970325449	/nfs/dbraw/zinc/32/54/49/970325449.db2.gz	VKPPDHWGTGLWOU-PMUMKWKESA-N	1	0	352.479	1.886	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C1	ZINC001195171730	970748226	/nfs/dbraw/zinc/74/82/26/970748226.db2.gz	ADEFQIRFJKBWEN-BZUAXINKSA-N	1	0	353.507	1.445	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCOc3ccccc3)C[C@H]2O)nc1	ZINC001197919797	972548769	/nfs/dbraw/zinc/54/87/69/972548769.db2.gz	PIFMDEJAURXVKA-WOJBJXKFSA-N	1	0	365.433	1.307	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCCC3CCOCC3)C[C@H]2O)cn1	ZINC001197926777	972555987	/nfs/dbraw/zinc/55/59/87/972555987.db2.gz	WWCDLPJQINIVGJ-WOJBJXKFSA-N	1	0	371.481	1.435	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCCc3ccccc32)C1	ZINC001198011657	972638794	/nfs/dbraw/zinc/63/87/94/972638794.db2.gz	NCDYMBRBLWATJM-MISYRCLQSA-N	1	0	358.482	1.861	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C1	ZINC001197984032	972654650	/nfs/dbraw/zinc/65/46/50/972654650.db2.gz	JQXSRLZDKFJEBI-RCCFBDPRSA-N	1	0	355.523	1.669	20	30		FDEDRO
COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1	ZINC000775809901	972658229	/nfs/dbraw/zinc/65/82/29/972658229.db2.gz	HEDUXZAKYLHEES-JTOWHCCKSA-N	1	0	352.479	1.886	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000645036223	1014048288	/nfs/dbraw/zinc/04/82/88/1014048288.db2.gz	RSZMYWSRPURJMC-SZMVWBNQSA-N	1	0	350.507	1.387	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C(=O)NC)cc1	ZINC001110501018	972732279	/nfs/dbraw/zinc/73/22/79/972732279.db2.gz	VADUIOGDCMYHID-WIRSXHRWSA-N	1	0	371.481	1.595	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(c3ccccc3C)CCC2)C1	ZINC001198179813	972859071	/nfs/dbraw/zinc/85/90/71/972859071.db2.gz	ONWQKASAIWDKDD-RTBURBONSA-N	1	0	358.482	1.781	20	30		FDEDRO
C#CCC[NH+]1CCC(NS(=O)(=O)C[C@H](OC)c2ccc(F)cc2)CC1	ZINC000863443741	972923705	/nfs/dbraw/zinc/92/37/05/972923705.db2.gz	UZYHBSNPSVRGMN-SFHVURJKSA-N	1	0	368.474	1.920	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+](CCc3ccccc3)C[C@H]2O)CCOCC1	ZINC001198239637	972926656	/nfs/dbraw/zinc/92/66/56/972926656.db2.gz	POYGGZUGLIRYJB-RTBURBONSA-N	1	0	358.482	1.763	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+](CCC[C@@H]3CCOC3)C[C@H]2O)CCOCC1	ZINC001198239099	972926836	/nfs/dbraw/zinc/92/68/36/972926836.db2.gz	FCALFUGZIFZACZ-KZNAEPCWSA-N	1	0	366.502	1.337	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@H+](CC3CC(OCC)C3)C[C@H]2O)CCOCC1	ZINC001198239396	972927237	/nfs/dbraw/zinc/92/72/37/972927237.db2.gz	KQMCUGZNJNBIJA-OPQOLIRYSA-N	1	0	366.502	1.336	20	30		FDEDRO
Cn1nc(CO[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)cc1Cl	ZINC000863458193	972936338	/nfs/dbraw/zinc/93/63/38/972936338.db2.gz	WHTSEDPIIAZCKN-UHFFFAOYSA-N	1	0	363.849	1.872	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C	ZINC000645114397	1014073244	/nfs/dbraw/zinc/07/32/44/1014073244.db2.gz	BSTFNCBLKMEEBU-HZPDHXFCSA-N	1	0	363.458	1.380	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1	ZINC000863552088	973009284	/nfs/dbraw/zinc/00/92/84/973009284.db2.gz	VNQRXEPQXPLDNO-HXUWFJFHSA-N	1	0	367.449	1.924	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]CCS(=O)(=O)Cc1ccccc1	ZINC000863551802	973009431	/nfs/dbraw/zinc/00/94/31/973009431.db2.gz	RGPHLCZGDRVEQA-GOSISDBHSA-N	1	0	374.462	1.503	20	30		FDEDRO
C[NH+]1CCN(CCOc2ccc(NC[C@@H](O)CC3(C#N)CC3)cc2)CC1	ZINC000863558738	973015462	/nfs/dbraw/zinc/01/54/62/973015462.db2.gz	VAJKBFIHDCNYIN-SFHVURJKSA-N	1	0	358.486	1.779	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2	ZINC000863572736	973025146	/nfs/dbraw/zinc/02/51/46/973025146.db2.gz	QBLAIXGLPNGGFB-HOTGVXAUSA-N	1	0	366.506	1.714	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000645163511	1014089918	/nfs/dbraw/zinc/08/99/18/1014089918.db2.gz	CPOOQHRDRWAXOC-HXUWFJFHSA-N	1	0	372.513	1.268	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]([NH2+]CCCO)c1ccccc1OC	ZINC001198732882	973434931	/nfs/dbraw/zinc/43/49/31/973434931.db2.gz	VSPHUKIGIBRFHC-KURKYZTESA-N	1	0	362.470	1.806	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]([NH2+]CCCO)c1ccccc1OC	ZINC001198732883	973435199	/nfs/dbraw/zinc/43/51/99/973435199.db2.gz	VSPHUKIGIBRFHC-SQNIBIBYSA-N	1	0	362.470	1.806	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)N2CCCC2=O)C1	ZINC001198833385	973528503	/nfs/dbraw/zinc/52/85/03/973528503.db2.gz	DEXZSHDBXJODGV-BRWVUGGUSA-N	1	0	351.491	1.295	20	30		FDEDRO
N#CC1(NC(=O)CN2CCC(n3cnc4ccccc4c3=O)CC2)CCC1	ZINC001198799540	973542718	/nfs/dbraw/zinc/54/27/18/973542718.db2.gz	BAHOAZCLEZGYPP-UHFFFAOYSA-N	1	0	365.437	1.596	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(OC3CCC3)cc2)C1	ZINC001198848712	973579106	/nfs/dbraw/zinc/57/91/06/973579106.db2.gz	SOUGVWMENFRXEI-RTBURBONSA-N	1	0	360.454	1.595	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C1	ZINC001198918410	973684086	/nfs/dbraw/zinc/68/40/86/973684086.db2.gz	ZIEGJXAPDHTWMU-HPBDAGMYSA-N	1	0	353.507	1.445	20	30		FDEDRO
C=C[C@H](CC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)c1ccccc1	ZINC001198941128	973718528	/nfs/dbraw/zinc/71/85/28/973718528.db2.gz	ZDKLIXIIAKFFPC-BHIYHBOVSA-N	1	0	354.454	1.404	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(P(C)(C)=O)cc2)C1	ZINC001198955444	973735718	/nfs/dbraw/zinc/73/57/18/973735718.db2.gz	DCGMIFJRAHOOAE-IAGOWNOFSA-N	1	0	350.399	1.676	20	30		FDEDRO
C=C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O)c1ccccc1	ZINC001198956062	973739782	/nfs/dbraw/zinc/73/97/82/973739782.db2.gz	PATQYHIPJUWDSD-VAMGGRTRSA-N	1	0	358.482	1.934	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCN(C(=O)CCC)CC2)C1	ZINC001198982694	973776303	/nfs/dbraw/zinc/77/63/03/973776303.db2.gz	JXXQJMNOBOSGKC-IAGOWNOFSA-N	1	0	351.491	1.153	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](C)CC(C)C)C[C@H]1O	ZINC001199081816	973902898	/nfs/dbraw/zinc/90/28/98/973902898.db2.gz	ZDBJLAZOWRAJRV-ARFHVFGLSA-N	1	0	368.522	1.094	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1O)[NH+]1CCCC1	ZINC001199127437	973927377	/nfs/dbraw/zinc/92/73/77/973927377.db2.gz	CJZBEMWXHMHTAG-VAMGGRTRSA-N	1	0	370.497	1.340	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)cs2)C1	ZINC001199127900	973929342	/nfs/dbraw/zinc/92/93/42/973929342.db2.gz	LBWQXMFYTLFLKE-ZIAGYGMSSA-N	1	0	353.488	1.592	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccc3c(c2)CCC3)C[C@H]1O	ZINC001199307340	974146857	/nfs/dbraw/zinc/14/68/57/974146857.db2.gz	JBLQKTKUKVHIGN-CWFSZBLJSA-N	1	0	358.482	1.990	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@@H+](CCOC2CCCCCC2)C[C@H]1O	ZINC001199308438	974148988	/nfs/dbraw/zinc/14/89/88/974148988.db2.gz	VARQJXMXNJTRAF-QZTJIDSGSA-N	1	0	354.491	1.480	20	30		FDEDRO
COC(=O)CCNC(=S)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC001199999061	974638855	/nfs/dbraw/zinc/63/88/55/974638855.db2.gz	BDBYGWJLAUIJTR-UHFFFAOYSA-N	1	0	360.483	1.550	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc2c(c1)nnn2C	ZINC001110553619	974775351	/nfs/dbraw/zinc/77/53/51/974775351.db2.gz	ZQNCHLBDOJBTRD-MDZRGWNJSA-N	1	0	367.453	1.230	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H](O)CC(F)(F)F)CC1	ZINC001200627865	974847617	/nfs/dbraw/zinc/84/76/17/974847617.db2.gz	HRZPXFPIQUUTQX-ZNMIVQPWSA-N	1	0	364.408	1.862	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)N(C)CC2CC2)CC1	ZINC001200627689	974847683	/nfs/dbraw/zinc/84/76/83/974847683.db2.gz	GDPMREJEKVPOAX-MSOLQXFVSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CCOC)nc1C)C2	ZINC001110558356	974932125	/nfs/dbraw/zinc/93/21/25/974932125.db2.gz	GKGNOPMZHQFONT-NXHRZFHOSA-N	1	0	362.474	1.376	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)CC(C)(C)C1=O)C2	ZINC001110568512	975085676	/nfs/dbraw/zinc/08/56/76/975085676.db2.gz	WBQRSJJAXUGZME-FPCVCCKLSA-N	1	0	361.486	1.848	20	30		FDEDRO
N#CCc1ccc(S(=O)(=O)NCCCC[N@H+]2CCC[C@@H]2CO)cc1	ZINC000161744699	975170881	/nfs/dbraw/zinc/17/08/81/975170881.db2.gz	ISVFGRLTTWPGOZ-MRXNPFEDSA-N	1	0	351.472	1.268	20	30		FDEDRO
CCOC(=O)Nc1ccc(NC(=O)NCCN2CC[NH+](C)CC2)cc1C#N	ZINC001202368808	975296053	/nfs/dbraw/zinc/29/60/53/975296053.db2.gz	UEOMYLNJDYQFCW-UHFFFAOYSA-N	1	0	374.445	1.496	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC[N@@H+]1C	ZINC000866357342	975571233	/nfs/dbraw/zinc/57/12/33/975571233.db2.gz	SSHPQSRPIKCCPB-SOUVJXGZSA-N	1	0	350.463	1.688	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000847606381	975902385	/nfs/dbraw/zinc/90/23/85/975902385.db2.gz	CIJVIGJXTYMZKA-GDBMZVCRSA-N	1	0	374.416	1.800	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12	ZINC000847607399	975903619	/nfs/dbraw/zinc/90/36/19/975903619.db2.gz	KCIGXAMLCWDFGM-RDJZCZTQSA-N	1	0	355.438	1.770	20	30		FDEDRO
C[N@@H+]1CC[C@](O)(CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C1	ZINC000847738141	976013563	/nfs/dbraw/zinc/01/35/63/976013563.db2.gz	HAWQXSULRAOPOD-KSSFIOAISA-N	1	0	368.478	1.146	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)C[C@@H]21	ZINC000848195344	976469504	/nfs/dbraw/zinc/46/95/04/976469504.db2.gz	SOFLENCNVOBCAP-SJORKVTESA-N	1	0	361.486	1.799	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCNC(=O)C1	ZINC000848255427	976536547	/nfs/dbraw/zinc/53/65/47/976536547.db2.gz	UVQLEAAFYFXOQP-UHFFFAOYSA-N	1	0	370.375	1.698	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CC[N@H+](C)C(C)(C)CC1	ZINC000867680480	976620629	/nfs/dbraw/zinc/62/06/29/976620629.db2.gz	NXDYUOUMUUFOEC-UHFFFAOYSA-N	1	0	365.455	1.450	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NCC1(c2ccccc2)CC[NH+](C)CC1	ZINC000867705852	976687287	/nfs/dbraw/zinc/68/72/87/976687287.db2.gz	NDVNXAMMYADRJV-UHFFFAOYSA-N	1	0	364.515	1.720	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCCCOC	ZINC001110601129	976706804	/nfs/dbraw/zinc/70/68/04/976706804.db2.gz	KXURNEMBIZQWMX-KFWWJZLASA-N	1	0	371.909	1.639	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1	ZINC000848397287	976718090	/nfs/dbraw/zinc/71/80/90/976718090.db2.gz	YRQXLDCHWHOTMK-ZBFHGGJFSA-N	1	0	358.442	1.945	20	30		FDEDRO
C[NH+]1CCN(C2CCN(S(=O)(=O)Cc3ccc(C#N)cc3)CC2)CC1	ZINC000867817409	976932838	/nfs/dbraw/zinc/93/28/38/976932838.db2.gz	BPOWPOBGWCLQLX-UHFFFAOYSA-N	1	0	362.499	1.100	20	30		FDEDRO
Cc1noc(C2CCN(C(=O)[C@@H]3[NH2+]CCc4cc(C#N)ccc43)CC2)n1	ZINC000867941540	977120509	/nfs/dbraw/zinc/12/05/09/977120509.db2.gz	HWTIUTRLHBBGFJ-QGZVFWFLSA-N	1	0	351.410	1.843	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000867945956	977125555	/nfs/dbraw/zinc/12/55/55/977125555.db2.gz	ARBBEDJJRFATEY-FQEVSTJZSA-N	1	0	363.417	1.875	20	30		FDEDRO
C[C@@H]1CN(C(C)(C)CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C[C@H](C)O1	ZINC000867962228	977146708	/nfs/dbraw/zinc/14/67/08/977146708.db2.gz	MTRQACHEWDGRON-ZRGWGRIASA-N	1	0	370.497	1.749	20	30		FDEDRO
CN(C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)[C@@H](CC(N)=O)c1ccccc1	ZINC000867977382	977161859	/nfs/dbraw/zinc/16/18/59/977161859.db2.gz	GFITXHKNDKTXOH-ICSRJNTNSA-N	1	0	362.433	1.820	20	30		FDEDRO
COC(=O)CCN(C[C@H]1CCCO1)C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000867979854	977164599	/nfs/dbraw/zinc/16/45/99/977164599.db2.gz	OZUGMGYQBKDJFH-VQIMIIECSA-N	1	0	371.437	1.316	20	30		FDEDRO
Cn1c(=O)ccc2c1CCC[C@H]2NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000867983067	977167623	/nfs/dbraw/zinc/16/76/23/977167623.db2.gz	JBKSNLSLYSZSSB-YLJYHZDGSA-N	1	0	362.433	1.638	20	30		FDEDRO
CN1CC[NH+](CCCCNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1	ZINC000868049356	977235013	/nfs/dbraw/zinc/23/50/13/977235013.db2.gz	UXZGLURVWQYSQT-IBGZPJMESA-N	1	0	355.486	1.352	20	30		FDEDRO
C=CCOc1cccc(NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1	ZINC000868113121	977296633	/nfs/dbraw/zinc/29/66/33/977296633.db2.gz	PVKLSAPWEGENIF-OIISXLGYSA-N	1	0	372.425	1.650	20	30		FDEDRO
CO[C@@H]1CCC[C@@H]1CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000849076727	977305500	/nfs/dbraw/zinc/30/55/00/977305500.db2.gz	PLBXXDMAGDEKIE-QLFBSQMISA-N	1	0	352.479	1.682	20	30		FDEDRO
CCC(O)(CC)CCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000849090062	977309619	/nfs/dbraw/zinc/30/96/19/977309619.db2.gz	QIRURJNKMAQZJS-AWEZNQCLSA-N	1	0	354.495	1.808	20	30		FDEDRO
C[NH+]=C(NCCc1cccc(Br)c1)NCCN1CCOCC1	ZINC000849116006	977328900	/nfs/dbraw/zinc/32/89/00/977328900.db2.gz	HDXLVRPKXQLCNV-UHFFFAOYSA-N	1	0	369.307	1.489	20	30		FDEDRO
COc1ccc(NC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1C#N	ZINC000868207394	977346434	/nfs/dbraw/zinc/34/64/34/977346434.db2.gz	ZKNZLIKCFRJOLX-AWEZNQCLSA-N	1	0	371.441	1.243	20	30		FDEDRO
Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cccc(OCC#N)c2)cn1	ZINC000849500635	977694063	/nfs/dbraw/zinc/69/40/63/977694063.db2.gz	IEFVPSHMEAVIPZ-ROUUACIJSA-N	1	0	353.426	1.996	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1)C2	ZINC001110616850	978040129	/nfs/dbraw/zinc/04/01/29/978040129.db2.gz	TUTIZABCDXBFFI-HZMVEIRTSA-N	1	0	363.502	1.558	20	30		FDEDRO
Cc1c(Br)cncc1C[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000850137538	978198123	/nfs/dbraw/zinc/19/81/23/978198123.db2.gz	QHCVBHVNUUUFQK-PFONDFGASA-N	1	0	365.231	1.769	20	30		FDEDRO
CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)Cc2ccc(C#N)cc2)cc1	ZINC000850587239	978449009	/nfs/dbraw/zinc/44/90/09/978449009.db2.gz	UAZWIBHUQZEDOG-GOSISDBHSA-N	1	0	358.467	1.744	20	30		FDEDRO
C#CCCN(CCOC)C(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1	ZINC000850711288	978637917	/nfs/dbraw/zinc/63/79/17/978637917.db2.gz	RQCMRHKVSJSEDT-UHFFFAOYSA-N	1	0	363.502	1.209	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)nc1	ZINC000850760756	978663433	/nfs/dbraw/zinc/66/34/33/978663433.db2.gz	WTRIVRKQCSOAGJ-KRWDZBQOSA-N	1	0	366.425	1.848	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)nc1	ZINC000851654487	978985562	/nfs/dbraw/zinc/98/55/62/978985562.db2.gz	CKEJNJIEFCCDSZ-KRWDZBQOSA-N	1	0	356.474	1.786	20	30		FDEDRO
C#C[C@H]1COCCN1C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OCC)cc1	ZINC000851673678	978992735	/nfs/dbraw/zinc/99/27/35/978992735.db2.gz	LSQQZZFUHAXJHJ-WDSOQIARSA-N	1	0	357.454	1.574	20	30		FDEDRO
C#C[C@@H]1COCCN1C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OCC)cc1	ZINC000851673677	978992841	/nfs/dbraw/zinc/99/28/41/978992841.db2.gz	LSQQZZFUHAXJHJ-NEWSRXKRSA-N	1	0	357.454	1.574	20	30		FDEDRO
COc1cccc2c1CC[C@]2(CO)[NH2+]CC(=O)Nc1ccc(C#N)cc1	ZINC000880381212	979146122	/nfs/dbraw/zinc/14/61/22/979146122.db2.gz	RTUBAFFHUROCME-HXUWFJFHSA-N	1	0	351.406	1.929	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1	ZINC000968007889	1014554120	/nfs/dbraw/zinc/55/41/20/1014554120.db2.gz	BRYVPUCILPHAPG-NXHRZFHOSA-N	1	0	363.502	1.369	20	30		FDEDRO
C#C[C@@H](NC(=O)NC[C@H](C(CC)CC)[NH+]1CCOCC1)C1CCOCC1	ZINC000851943509	979208687	/nfs/dbraw/zinc/20/86/87/979208687.db2.gz	AGCVQCMZEJCDFT-RTBURBONSA-N	1	0	365.518	1.851	20	30		FDEDRO
C#CCC1(O)CC[NH+]([C@@H](C)C(=O)NCc2ccc(OC)c(OC)c2)CC1	ZINC000880478065	979218367	/nfs/dbraw/zinc/21/83/67/979218367.db2.gz	RXEDTZWEXYGVKB-HNNXBMFYSA-N	1	0	360.454	1.559	20	30		FDEDRO
C#C[C@@](C)(CC)[NH2+]CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1	ZINC000852098580	979349738	/nfs/dbraw/zinc/34/97/38/979349738.db2.gz	QLWFQLCRYPCRSR-FQEVSTJZSA-N	1	0	374.460	1.300	20	30		FDEDRO
C#C[C@](C)(CC)[NH2+]CC(=O)NN1C(=O)N[C@@](CC)(c2ccccc2)C1=O	ZINC000852101639	979350806	/nfs/dbraw/zinc/35/08/06/979350806.db2.gz	SSFSEHCIUAQYCC-MOPGFXCFSA-N	1	0	356.426	1.266	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000852110076	979357091	/nfs/dbraw/zinc/35/70/91/979357091.db2.gz	LWSUYEUYJGMIHF-GOSISDBHSA-N	1	0	357.454	1.751	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000968019978	1014581884	/nfs/dbraw/zinc/58/18/84/1014581884.db2.gz	UKMFQXJTNWRPCT-MLHJIOFPSA-N	1	0	363.502	1.367	20	30		FDEDRO
Cc1ccn(-c2ccccc2CNC(=[NH2+])NCCCN2CCOCC2)n1	ZINC000128770958	979610923	/nfs/dbraw/zinc/61/09/23/979610923.db2.gz	YMFWDRDRNGIBNR-UHFFFAOYSA-N	1	0	356.474	1.307	20	30		FDEDRO
C#C[C@H]1COCCN1C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000881128770	979700763	/nfs/dbraw/zinc/70/07/63/979700763.db2.gz	ZWHFHPJOAREQHK-PKOBYXMFSA-N	1	0	354.454	1.837	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2nc(C)nn2-c2ccc(F)cc2C)CC1	ZINC000888875103	979740507	/nfs/dbraw/zinc/74/05/07/979740507.db2.gz	LJDMORBJSWGBLB-UHFFFAOYSA-N	1	0	355.417	1.729	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(CC)C2CN(C(=O)C[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000968039423	1014601890	/nfs/dbraw/zinc/60/18/90/1014601890.db2.gz	OKCYLGQWUKXAAR-ICSRJNTNSA-N	1	0	371.525	1.827	20	30		FDEDRO
COc1cc(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)ccc1C#N	ZINC000881625049	980024307	/nfs/dbraw/zinc/02/43/07/980024307.db2.gz	INHKRZLOFDPJOB-UHFFFAOYSA-N	1	0	370.453	1.513	20	30		FDEDRO
COCC[N@H+]1[C@H](C)CN(CC(=O)N(CCC#N)c2ccccc2)C[C@@H]1C	ZINC000129636249	980611846	/nfs/dbraw/zinc/61/18/46/980611846.db2.gz	COWFDHQGZXSWTJ-HDICACEKSA-N	1	0	358.486	1.974	20	30		FDEDRO
CCOc1cc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)c(F)cc1OC	ZINC000858137302	981854602	/nfs/dbraw/zinc/85/46/02/981854602.db2.gz	LSPRIDGVRFZGEN-ISLYRVAYSA-N	1	0	363.389	1.849	20	30		FDEDRO
CN(CCCC[NH+]1CCCCC1)c1ccc(S(N)(=O)=O)cc1C#N	ZINC000882986745	981863960	/nfs/dbraw/zinc/86/39/60/981863960.db2.gz	IBSGBEBVVUYMTN-UHFFFAOYSA-N	1	0	350.488	1.908	20	30		FDEDRO
C[N@H+]1C[C@H]2CN(C(=O)Nc3ccc(Br)c(C#N)n3)C[C@H]2C1	ZINC000883105186	981949270	/nfs/dbraw/zinc/94/92/70/981949270.db2.gz	AOHGNCNZUQPHDV-AOOOYVTPSA-N	1	0	350.220	1.741	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1	ZINC000883142535	981977417	/nfs/dbraw/zinc/97/74/17/981977417.db2.gz	MHHORUQJQMSUDN-KRWDZBQOSA-N	1	0	355.482	1.993	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1	ZINC000858352772	982000962	/nfs/dbraw/zinc/00/09/62/982000962.db2.gz	GILMEIKVMCJCGX-MOPGFXCFSA-N	1	0	359.470	1.481	20	30		FDEDRO
C=CCC[C@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)[C@@H]1Cc2ccccc2O1	ZINC000883226270	982021573	/nfs/dbraw/zinc/02/15/73/982021573.db2.gz	VHXFDRVXBIEHBE-SZMVWBNQSA-N	1	0	351.468	1.464	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CCCC[N@H+](C)C2)n1	ZINC000858766609	982276158	/nfs/dbraw/zinc/27/61/58/982276158.db2.gz	PMEUYLUSKQLLTR-QGZVFWFLSA-N	1	0	361.490	1.406	20	30		FDEDRO
N#CCc1cccc(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)n1	ZINC000883587658	982287473	/nfs/dbraw/zinc/28/74/73/982287473.db2.gz	OJJIIPDUBXRLSG-LBPRGKRZSA-N	1	0	356.352	1.105	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]CCCO[C@H]2CCOC2)CC1	ZINC001202559808	982557958	/nfs/dbraw/zinc/55/79/58/982557958.db2.gz	OVFZNJGNZNPLGS-KSZLIROESA-N	1	0	352.475	1.354	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@H](F)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000859257064	982652444	/nfs/dbraw/zinc/65/24/44/982652444.db2.gz	RRUJBHAMMCEIHU-ZIAGYGMSSA-N	1	0	368.453	1.686	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1	ZINC000859274474	982671198	/nfs/dbraw/zinc/67/11/98/982671198.db2.gz	RLUAAHOHIYVXIL-AEFFLSMTSA-N	1	0	356.426	1.467	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1	ZINC000800007761	982706192	/nfs/dbraw/zinc/70/61/92/982706192.db2.gz	OFBQFSSHCRLGRA-KRWDZBQOSA-N	1	0	374.551	1.439	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)CC(=O)OCCC[NH+]2CCCC2)cc1	ZINC000800139781	982763628	/nfs/dbraw/zinc/76/36/28/982763628.db2.gz	VRYQRCGTHDOXTB-UHFFFAOYSA-N	1	0	350.440	1.502	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCN(C(=O)c3ccccc3)CC1)C2	ZINC000884054083	982772553	/nfs/dbraw/zinc/77/25/53/982772553.db2.gz	QCNHCDHQGUCBNU-GNZRSQJKSA-N	1	0	352.438	1.110	20	30		FDEDRO
CC(C)(C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(C#N)cc1	ZINC000859418154	982787628	/nfs/dbraw/zinc/78/76/28/982787628.db2.gz	AQDAIKOQYCWVOQ-LJQANCHMSA-N	1	0	370.497	1.359	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(N3CCCC3=O)cc1)C2	ZINC000884061262	982792624	/nfs/dbraw/zinc/79/26/24/982792624.db2.gz	BFRLOTVPYJCPEU-NGEICVOHSA-N	1	0	352.438	1.569	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCCS(=O)(=O)c1ccccc1)C2	ZINC000884108019	982877525	/nfs/dbraw/zinc/87/75/25/982877525.db2.gz	MCNVUJDWIVSOEM-SWKXRBFHSA-N	1	0	361.467	1.106	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@@H](O)c1ccccc1C(F)(F)F)C2	ZINC000884108336	982877685	/nfs/dbraw/zinc/87/76/85/982877685.db2.gz	XZGWWXLBRRLPJN-WLBPZHLASA-N	1	0	367.371	1.994	20	30		FDEDRO
COc1cc(OC)c(CCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c(OC)c1	ZINC000884130926	982913028	/nfs/dbraw/zinc/91/30/28/982913028.db2.gz	WGGTURZGSQOMSG-DMAKZNTKSA-N	1	0	373.453	1.510	20	30		FDEDRO
CCOC(=O)[C@]1(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CCc2ccccc21	ZINC000884138942	982921378	/nfs/dbraw/zinc/92/13/78/982921378.db2.gz	DMNJVTJMTVFUTI-CMZAIVPFSA-N	1	0	367.449	1.647	20	30		FDEDRO
CCOC(=O)[C@]1(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CCc2ccccc21	ZINC000884138944	982921613	/nfs/dbraw/zinc/92/16/13/982921613.db2.gz	DMNJVTJMTVFUTI-IUTMSDBMSA-N	1	0	367.449	1.647	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)N[C@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)C1	ZINC000884152659	982931371	/nfs/dbraw/zinc/93/13/71/982931371.db2.gz	QTMCOGZCAWKWOI-FHWLQOOXSA-N	1	0	364.534	1.520	20	30		FDEDRO
Cc1ccc(N2CC[C@@H](NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)C2=O)cc1	ZINC000884153141	982932205	/nfs/dbraw/zinc/93/22/05/982932205.db2.gz	DNBWKTSUTBSQGR-KLRDNXEFSA-N	1	0	352.438	1.356	20	30		FDEDRO
Cc1ccc(CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c(O[C@H]2CCOC2)c1	ZINC000884164075	982940880	/nfs/dbraw/zinc/94/08/80/982940880.db2.gz	XMXGUGIABTTXIB-KQNFGGRRSA-N	1	0	369.465	1.918	20	30		FDEDRO
COc1ccccc1N1CC[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1=O	ZINC000884165553	982941454	/nfs/dbraw/zinc/94/14/54/982941454.db2.gz	JSWJKJLMQVYECV-FEDUSRTKSA-N	1	0	368.437	1.056	20	30		FDEDRO
N#CCc1ccc(NC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1	ZINC000859624263	982948107	/nfs/dbraw/zinc/94/81/07/982948107.db2.gz	LOFHIJXPJWVRAI-SJORKVTESA-N	1	0	369.425	1.542	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H](CN1CCOCC1)c1ccccc1)C2	ZINC000884180845	982954333	/nfs/dbraw/zinc/95/43/33/982954333.db2.gz	MAVMWOFPDLQJRS-XTBIFASLSA-N	1	0	368.481	1.315	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccccc1N1CCOCC1)C2	ZINC000884191993	982967792	/nfs/dbraw/zinc/96/77/92/982967792.db2.gz	TUDXAAJDGFJQMP-GNZRSQJKSA-N	1	0	354.454	1.279	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000884199015	982974674	/nfs/dbraw/zinc/97/46/74/982974674.db2.gz	MWBZNYRNZCNEJW-ROUUACIJSA-N	1	0	359.470	1.604	20	30		FDEDRO
COc1ccccc1N1CC[C@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1	ZINC000884207894	982983797	/nfs/dbraw/zinc/98/37/97/982983797.db2.gz	JUDWKTANFMNLBV-HRXNXTQESA-N	1	0	368.481	1.777	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1	ZINC000884210763	982987286	/nfs/dbraw/zinc/98/72/86/982987286.db2.gz	IYKGENVRGHENEV-IBGZPJMESA-N	1	0	373.497	1.804	20	30		FDEDRO
COc1ccccc1CN1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1	ZINC000884210477	982987432	/nfs/dbraw/zinc/98/74/32/982987432.db2.gz	AUQBCUFRRUWWLZ-IDYZSHNDSA-N	1	0	368.481	1.479	20	30		FDEDRO
CN(C)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1c(F)cccc1F	ZINC000884223848	982997773	/nfs/dbraw/zinc/99/77/73/982997773.db2.gz	ZSGNAHANUMHAGN-HCZHPHPMSA-N	1	0	362.424	1.823	20	30		FDEDRO
N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)COCCc1ccc(Br)cc1	ZINC000884249389	983027134	/nfs/dbraw/zinc/02/71/34/983027134.db2.gz	KNFLWJWNKQTWIU-TZMCWYRMSA-N	1	0	352.232	1.236	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCNC[C@H]1c1ccccc1Cl)C2	ZINC000884278249	983049284	/nfs/dbraw/zinc/04/92/84/983049284.db2.gz	HFCZYWOHPOTDMF-NKCCXGTCSA-N	1	0	358.873	1.952	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1	ZINC000884279897	983050725	/nfs/dbraw/zinc/05/07/25/983050725.db2.gz	XKTMNRHGXUWRKT-GJZGRUSLSA-N	1	0	351.834	1.260	20	30		FDEDRO
CCOC(=O)CN(Cc1ccccc1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884305976	983070127	/nfs/dbraw/zinc/07/01/27/983070127.db2.gz	OSKZWGFQOYHIEH-OHTSDLOESA-N	1	0	355.438	1.718	20	30		FDEDRO
COc1cccc([C@H]2CN(C(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CCO2)c1	ZINC000884310176	983074306	/nfs/dbraw/zinc/07/43/06/983074306.db2.gz	QLFKFXUXBSFCCK-URTYCYGZSA-N	1	0	355.438	1.734	20	30		FDEDRO
Cc1ccc(CN2CC[C@@H](NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)C2=O)cc1	ZINC000884321964	983083538	/nfs/dbraw/zinc/08/35/38/983083538.db2.gz	CCTXDMVWTCRTPH-UISNHOIMSA-N	1	0	366.465	1.352	20	30		FDEDRO
C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1	ZINC000859959140	983122380	/nfs/dbraw/zinc/12/23/80/983122380.db2.gz	VRUANMVUTMKODL-ZYSHUDEJSA-N	1	0	354.450	1.826	20	30		FDEDRO
COc1ccccc1[C@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CCO1	ZINC000884472072	983173898	/nfs/dbraw/zinc/17/38/98/983173898.db2.gz	OWMPGBBBIYRYER-KGAQGRRNSA-N	1	0	355.438	1.734	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H]2CCNC(=O)CC2)[nH]1	ZINC001095329691	983177597	/nfs/dbraw/zinc/17/75/97/983177597.db2.gz	XRTSXWXLSXFUFO-YVVXQTMVSA-N	1	0	355.442	1.138	20	30		FDEDRO
C=CCC1(O)CCN(CN2C(=O)N[C@]3(CCc4ccccc4C3)C2=O)CC1	ZINC000884478267	983181193	/nfs/dbraw/zinc/18/11/93/983181193.db2.gz	WCQLMELLHQIUJO-NRFANRHFSA-N	1	0	369.465	1.826	20	30		FDEDRO
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N(C)C[C@H](C)[NH3+]	ZINC000861539538	983769744	/nfs/dbraw/zinc/76/97/44/983769744.db2.gz	NSDVZWBINCSPIY-ZDUSSCGKSA-N	1	0	367.409	1.798	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1	ZINC000861580588	983784243	/nfs/dbraw/zinc/78/42/43/983784243.db2.gz	PIJPMRHBZQXPCY-LJQANCHMSA-N	1	0	371.481	1.999	20	30		FDEDRO
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1	ZINC000861708865	983845309	/nfs/dbraw/zinc/84/53/09/983845309.db2.gz	CEMJAGUJHOEQIY-GJZGRUSLSA-N	1	0	354.410	1.532	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)CC1	ZINC000958443221	1014982726	/nfs/dbraw/zinc/98/27/26/1014982726.db2.gz	MMTIPMOOAJHYAX-RDTXWAMCSA-N	1	0	371.485	1.583	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@@]1(C)C[C@H](OC)CN1C(=O)OC(C)(C)C	ZINC000861838226	983949668	/nfs/dbraw/zinc/94/96/68/983949668.db2.gz	VQRBIHRYNSTIBZ-HNAYVOBHSA-N	1	0	367.490	1.472	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2	ZINC001110810004	984028546	/nfs/dbraw/zinc/02/85/46/984028546.db2.gz	BIYWFPUXSKCVMG-NZPGVSJUSA-N	1	0	367.453	1.360	20	30		FDEDRO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C1(c2ccc(C#N)cc2)CCCC1	ZINC000862101066	984115257	/nfs/dbraw/zinc/11/52/57/984115257.db2.gz	NLCIMWOOGGCTED-MRXNPFEDSA-N	1	0	368.481	1.948	20	30		FDEDRO
N#Cc1ccc(C2(C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)CCCC2)cc1	ZINC000862648783	984462209	/nfs/dbraw/zinc/46/22/09/984462209.db2.gz	GJJZARJOPCFONK-SFHVURJKSA-N	1	0	368.481	1.826	20	30		FDEDRO
C#CCNC(=O)C[NH+]1CCC([C@@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1	ZINC000795038023	984633992	/nfs/dbraw/zinc/63/39/92/984633992.db2.gz	CYCKXCAZCQKVPT-OALUTQOASA-N	1	0	369.465	1.763	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2c3ccccc3NC2(C)C)CC1	ZINC000884642708	984649640	/nfs/dbraw/zinc/64/96/40/984649640.db2.gz	PJLNBLCMZSGXRK-QGZVFWFLSA-N	1	0	356.470	1.815	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCC[C@@H](C[NH+]3CCOCC3)C1)C2	ZINC000869192451	984936306	/nfs/dbraw/zinc/93/63/06/984936306.db2.gz	SZYBWNNRLQQKAP-FXAWDEMLSA-N	1	0	368.481	1.779	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1	ZINC000885096629	985172475	/nfs/dbraw/zinc/17/24/75/985172475.db2.gz	KVRPQNVDASXQSO-IRXDYDNUSA-N	1	0	365.518	1.840	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCc3ccccc3[C@H](C)C2)CC1	ZINC000653392840	1015119157	/nfs/dbraw/zinc/11/91/57/1015119157.db2.gz	LTPSEGQKQUJRDI-MRXNPFEDSA-N	1	0	355.482	1.941	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH+]2CCN(Cc3cn4ccccc4n3)CC2)CCC1	ZINC000885942565	985791888	/nfs/dbraw/zinc/79/18/88/985791888.db2.gz	PNEREAKGZOYURR-SFHVURJKSA-N	1	0	353.470	1.897	20	30		FDEDRO
C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(C#N)c1)n1cncn1	ZINC001095333882	985901220	/nfs/dbraw/zinc/90/12/20/985901220.db2.gz	OGGOLKIZVGCGJS-NBMRYCAZSA-N	1	0	350.426	1.632	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CC[C@H](N3CC(=O)Nc4ccccc43)C2)CCC1	ZINC000886134338	985923310	/nfs/dbraw/zinc/92/33/10/985923310.db2.gz	PKUMNXRREQSRDW-HOTGVXAUSA-N	1	0	354.454	1.964	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)CCC1	ZINC000886231471	985982536	/nfs/dbraw/zinc/98/25/36/985982536.db2.gz	DWILBMCRGCGWCX-MJBXVCDLSA-N	1	0	359.392	1.774	20	30		FDEDRO
C#CC[N@H+](C[C@H](O)CC1(O)CCC1)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886426401	986201815	/nfs/dbraw/zinc/20/18/15/986201815.db2.gz	VSTNJSZSVRVQAW-QGZVFWFLSA-N	1	0	366.502	1.987	20	30		FDEDRO
C#CCN(C(=O)[C@H](F)C1CN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1	ZINC000886575812	986376431	/nfs/dbraw/zinc/37/64/31/986376431.db2.gz	LLUGCBLAVPZBBU-MRXNPFEDSA-N	1	0	367.465	1.747	20	30		FDEDRO
C#CCN(C(=O)C=CC(=O)Nc1ccc2n[nH]cc2c1)C1CC[NH+](C)CC1	ZINC000886579680	986381215	/nfs/dbraw/zinc/38/12/15/986381215.db2.gz	DWTSOCQPUMJFQO-VOTSOKGWSA-N	1	0	365.437	1.614	20	30		FDEDRO
C#CCN(C(=O)Cc1csc(NC(=O)C(C)C)n1)C1CC[NH+](C)CC1	ZINC000886583386	986387660	/nfs/dbraw/zinc/38/76/60/986387660.db2.gz	OLASNRJGTGYVGM-UHFFFAOYSA-N	1	0	362.499	1.836	20	30		FDEDRO
C#CCN(C(=O)Cn1cccc(C(F)(F)F)c1=O)C1CC[NH+](C)CC1	ZINC000886585254	986391766	/nfs/dbraw/zinc/39/17/66/986391766.db2.gz	OCSBTSVRHBYCQF-UHFFFAOYSA-N	1	0	355.360	1.423	20	30		FDEDRO
C=CCC1(O)CC[NH+]([C@@H](C)C(=O)N2CCC[C@H](C(=O)OCC)C2)CC1	ZINC000886764019	986565446	/nfs/dbraw/zinc/56/54/46/986565446.db2.gz	JLJQJNYTCPEZGJ-HOTGVXAUSA-N	1	0	352.475	1.580	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCC[N@H+](CC(=O)NCC#N)C2	ZINC000886888058	986691938	/nfs/dbraw/zinc/69/19/38/986691938.db2.gz	QWGAVTTZCRHUBH-SFHVURJKSA-N	1	0	350.463	1.739	20	30		FDEDRO
Cn1oc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)cc1=O	ZINC001095358670	986778685	/nfs/dbraw/zinc/77/86/85/986778685.db2.gz	HVPUWIDJDGHNOY-PMPSAXMXSA-N	1	0	352.394	1.385	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccnc(N3CCSCC3)c2)CC1	ZINC000923630998	987049035	/nfs/dbraw/zinc/04/90/35/987049035.db2.gz	FGIYPIZOKYLYOP-UHFFFAOYSA-N	1	0	373.526	1.532	20	30		FDEDRO
CC(=O)[C@](C#N)(CCSc1nnnn1CC[NH+](C)C)c1ccccc1	ZINC000871648211	987181633	/nfs/dbraw/zinc/18/16/33/987181633.db2.gz	AGCDQDNHNVBEHY-QGZVFWFLSA-N	1	0	358.471	1.767	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)Nc3cc(CC#N)ccn3)ccn2)CC1	ZINC000871720067	987208443	/nfs/dbraw/zinc/20/84/43/987208443.db2.gz	REXMYNHJYVJATR-UHFFFAOYSA-N	1	0	365.441	1.616	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c(C#N)c1	ZINC000871805007	987250306	/nfs/dbraw/zinc/25/03/06/987250306.db2.gz	KUANOEGYUISKSW-DLBZAZTESA-N	1	0	363.483	1.774	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)ccc1Cl	ZINC000871811366	987260355	/nfs/dbraw/zinc/26/03/55/987260355.db2.gz	VKNDPHLKPOCNRZ-ZDUSSCGKSA-N	1	0	369.874	1.649	20	30		FDEDRO
N#Cc1c(Cl)cccc1S(=O)(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1	ZINC000871812894	987264358	/nfs/dbraw/zinc/26/43/58/987264358.db2.gz	DKJIJPDPMYNSHV-SCZZXKLOSA-N	1	0	367.780	1.969	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1	ZINC000871813936	987266940	/nfs/dbraw/zinc/26/69/40/987266940.db2.gz	LWLRNTJSZVMBLV-QWRGUYRKSA-N	1	0	363.361	1.325	20	30		FDEDRO
C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)C2	ZINC000871815519	987269797	/nfs/dbraw/zinc/26/97/97/987269797.db2.gz	XSECQHJXDXEADS-SMDDNHRTSA-N	1	0	359.373	1.807	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1	ZINC000872187569	987489445	/nfs/dbraw/zinc/48/94/45/987489445.db2.gz	WYEPFDBNUYNQJH-FXAWDEMLSA-N	1	0	354.454	1.365	20	30		FDEDRO
COC[C@@H]([NH2+]C[C@@H](O)CN(C)CCC#N)c1cccc(Br)c1	ZINC000872235923	987534967	/nfs/dbraw/zinc/53/49/67/987534967.db2.gz	DFSXXYDHCLJFMV-HZPDHXFCSA-N	1	0	370.291	1.933	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H](O)Cc1ccc(F)cc1	ZINC000292922624	987932956	/nfs/dbraw/zinc/93/29/56/987932956.db2.gz	YENURHMXZGFKTI-PBHICJAKSA-N	1	0	355.417	1.601	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(CN3C(=O)N[C@](C)(c4cccc(C#N)c4)C3=O)CC[C@@H]21	ZINC000872725023	988010609	/nfs/dbraw/zinc/01/06/09/988010609.db2.gz	BFRWOHWHURYJAE-OXFYSEKESA-N	1	0	367.453	1.309	20	30		FDEDRO
CC(C)[C@H]1CN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC[N@@H+]1C	ZINC000872735848	988021262	/nfs/dbraw/zinc/02/12/62/988021262.db2.gz	BJWFMYJXFGYNPC-GOSISDBHSA-N	1	0	369.469	1.552	20	30		FDEDRO
C=CCc1cc(OC)cc(C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)c1O	ZINC000872795755	988075313	/nfs/dbraw/zinc/07/53/13/988075313.db2.gz	NKCNNWMWTSFRGQ-HOCLYGCPSA-N	1	0	351.468	1.996	20	30		FDEDRO
Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)nn1CCC#N	ZINC000361140244	988280920	/nfs/dbraw/zinc/28/09/20/988280920.db2.gz	GXLXOYPPDRNULX-HYVNUMGLSA-N	1	0	374.489	2.116	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1	ZINC000294038150	988289541	/nfs/dbraw/zinc/28/95/41/988289541.db2.gz	SBUFIJHBEUBYIA-UHFFFAOYSA-N	1	0	356.445	1.985	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1)[NH+]1CCCCC1	ZINC000872924945	988291461	/nfs/dbraw/zinc/29/14/61/988291461.db2.gz	ZXFHHQAYNPHBCH-MRXNPFEDSA-N	1	0	356.474	1.659	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1	ZINC000872937416	988308724	/nfs/dbraw/zinc/30/87/24/988308724.db2.gz	FWELPFQMJBCQCI-KRWDZBQOSA-N	1	0	370.501	1.763	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)n1	ZINC000366110870	988422284	/nfs/dbraw/zinc/42/22/84/988422284.db2.gz	WRDSONWFYFAZNQ-PKOBYXMFSA-N	1	0	373.501	1.549	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H](CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1	ZINC000873080472	988517013	/nfs/dbraw/zinc/51/70/13/988517013.db2.gz	PKTLARBUTPNGNS-INIZCTEOSA-N	1	0	356.474	1.517	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1	ZINC000873106976	988566225	/nfs/dbraw/zinc/56/62/25/988566225.db2.gz	LFMDZZQABNRZOC-VXGBXAGGSA-N	1	0	354.332	1.401	20	30		FDEDRO
CC(C)[NH+]1CCN([C@H]2CCN(C(=O)Cc3cccc(OCC#N)c3)C2)CC1	ZINC000362068771	988574002	/nfs/dbraw/zinc/57/40/02/988574002.db2.gz	ZSSLTTUBIWKNBP-IBGZPJMESA-N	1	0	370.497	1.758	20	30		FDEDRO
C=C(C)COc1cc(CN2CCCN(CC(=O)NC)CC2)ccc1OC	ZINC000362095618	988582057	/nfs/dbraw/zinc/58/20/57/988582057.db2.gz	CYFPNXSBUZZDPO-UHFFFAOYSA-N	1	0	361.486	1.904	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)C[C@@H]3CC[N@H+](C)C3)C2)n1	ZINC000362880571	988760195	/nfs/dbraw/zinc/76/01/95/988760195.db2.gz	LSDTZXHYDDCSIN-AEFFLSMTSA-N	1	0	355.486	1.888	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1	ZINC000295834733	988783096	/nfs/dbraw/zinc/78/30/96/988783096.db2.gz	MZIJODQLMIPFBO-KRWDZBQOSA-N	1	0	359.470	1.314	20	30		FDEDRO
C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CC(=O)NCc2cccc(C#N)c2)C[C@H](C)O1	ZINC000363035300	988853684	/nfs/dbraw/zinc/85/36/84/988853684.db2.gz	KDAJKVBFQOCGSR-FUHIMQAGSA-N	1	0	370.497	1.748	20	30		FDEDRO
COc1ccc(N2CCC([NH2+]CCNC(=O)C3N=CC=CC3=O)CC2)cc1	ZINC000367396451	988948163	/nfs/dbraw/zinc/94/81/63/988948163.db2.gz	KBHBEYFPWKIOLC-VXPUYCOJSA-N	1	0	370.453	1.780	20	30		FDEDRO
N#CCNC(=O)CNC(=O)[C@H]1CC[N@H+](C[C@@H]2CCCc3ccccc32)C1	ZINC000367733541	988965115	/nfs/dbraw/zinc/96/51/15/988965115.db2.gz	IRVSIJYUYIPTKM-IRXDYDNUSA-N	1	0	354.454	1.184	20	30		FDEDRO
C=CCN(CC(=O)N[C@H](C)C(=O)N(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000363185065	988977020	/nfs/dbraw/zinc/97/70/20/988977020.db2.gz	OPMRJKGHQJBDFQ-MJGOQNOKSA-N	1	0	372.513	1.342	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1C#N	ZINC000873683778	988986829	/nfs/dbraw/zinc/98/68/29/988986829.db2.gz	IBDLVBXOQJZREG-INIZCTEOSA-N	1	0	356.426	1.592	20	30		FDEDRO
CCC[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2OCC)CC1	ZINC000368642984	989001561	/nfs/dbraw/zinc/00/15/61/989001561.db2.gz	PCEPRLLFOZXQTB-UHFFFAOYSA-N	1	0	358.442	1.840	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)cc1	ZINC000368986692	989018468	/nfs/dbraw/zinc/01/84/68/989018468.db2.gz	KSEFSSVSCAEAAM-MJGOQNOKSA-N	1	0	372.469	1.889	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C(=O)N3CCCCCC3)C2)CC1	ZINC000369001459	989020046	/nfs/dbraw/zinc/02/00/46/989020046.db2.gz	LTZZZOHNXXOPEG-LJQANCHMSA-N	1	0	359.514	1.973	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CCc1nnc(-c2ccccn2)o1	ZINC000369270063	989042034	/nfs/dbraw/zinc/04/20/34/989042034.db2.gz	YPRHLJSHLYMWAA-UHFFFAOYSA-N	1	0	356.430	1.758	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1	ZINC000369590451	989062142	/nfs/dbraw/zinc/06/21/42/989062142.db2.gz	FELLEWHJZDGQNM-GOSISDBHSA-N	1	0	353.466	1.639	20	30		FDEDRO
C[C@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000369728547	989124116	/nfs/dbraw/zinc/12/41/16/989124116.db2.gz	AWHHNLGXSXGKNC-CYBMUJFWSA-N	1	0	356.405	1.631	20	30		FDEDRO
Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1	ZINC000873772764	989153297	/nfs/dbraw/zinc/15/32/97/989153297.db2.gz	LHGFWHPAPXHDPL-SUMWQHHRSA-N	1	0	358.417	1.887	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)c1	ZINC000873814693	989245204	/nfs/dbraw/zinc/24/52/04/989245204.db2.gz	LLHCADNNXRCHFT-UHFFFAOYSA-N	1	0	351.410	1.708	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cc(F)c(F)c(F)c1F	ZINC000873820102	989253474	/nfs/dbraw/zinc/25/34/74/989253474.db2.gz	LLSFCGUDAKGQRX-UHFFFAOYSA-N	1	0	374.338	1.875	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1C#N	ZINC000873831402	989274666	/nfs/dbraw/zinc/27/46/66/989274666.db2.gz	AXIONZCWMHSZMM-CJNGLKHVSA-N	1	0	356.426	1.448	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(OC)c(C#N)c1	ZINC000873837168	989287517	/nfs/dbraw/zinc/28/75/17/989287517.db2.gz	MTKOXLJZEXNANX-CVEARBPZSA-N	1	0	356.426	1.591	20	30		FDEDRO
Cc1cc(CN2CCC([N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)CC2)on1	ZINC000369905408	989287771	/nfs/dbraw/zinc/28/77/71/989287771.db2.gz	ZTULWDHZRMQBJH-IBGZPJMESA-N	1	0	361.490	1.934	20	30		FDEDRO
COCCC[N@@H+]1CCCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000369906753	989291175	/nfs/dbraw/zinc/29/11/75/989291175.db2.gz	RMEXIOOGQNBLHR-IBGZPJMESA-N	1	0	356.470	1.708	20	30		FDEDRO
Cn1ccnc1[C@H]1CCCN(C(=O)C(=O)Nc2cc(F)cc(C#N)c2)C1	ZINC000873853069	989328607	/nfs/dbraw/zinc/32/86/07/989328607.db2.gz	KRKILSWBGHZBOL-ZDUSSCGKSA-N	1	0	355.373	1.776	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCc3cc(OC)c(OC)cc3CC2)CC1	ZINC000363630774	989354866	/nfs/dbraw/zinc/35/48/66/989354866.db2.gz	ZKZIDTXFCPSPQL-UHFFFAOYSA-N	1	0	356.466	1.976	20	30		FDEDRO
CC[N@@H+]1CCc2c(cccc2-n2nnc(C(=O)N(CC#N)CC#N)c2C)C1	ZINC000364168015	989506060	/nfs/dbraw/zinc/50/60/60/989506060.db2.gz	OYWSCKJKTXVMLO-UHFFFAOYSA-N	1	0	363.425	1.443	20	30		FDEDRO
Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CNc1nnc(C)c(C)c1C#N	ZINC000370309298	989648806	/nfs/dbraw/zinc/64/88/06/989648806.db2.gz	SBRXAQKJYFUQLS-UHFFFAOYSA-N	1	0	368.489	1.761	20	30		FDEDRO
Cc1cc(C(=O)NC2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)no1	ZINC000370556925	989839416	/nfs/dbraw/zinc/83/94/16/989839416.db2.gz	MNLPFASLZGNNLO-SFHVURJKSA-N	1	0	354.410	1.783	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@]2(CNC(=O)O2)C1)C(C)C	ZINC000364869313	989854656	/nfs/dbraw/zinc/85/46/56/989854656.db2.gz	SBQOSLBYPGXYOZ-APWZRJJASA-N	1	0	364.490	1.969	20	30		FDEDRO
CN1CC[NH+](C[C@H]2CCCN(C(=O)NCCc3cccc(C#N)c3)C2)CC1	ZINC000370632332	989910328	/nfs/dbraw/zinc/91/03/28/989910328.db2.gz	ZJPYNMGVINHNNS-HXUWFJFHSA-N	1	0	369.513	1.770	20	30		FDEDRO
CC(C)N1CC[NH+](C2CCN(CC(=O)Nc3ccc(C#N)cc3)CC2)CC1	ZINC000370689345	989933270	/nfs/dbraw/zinc/93/32/70/989933270.db2.gz	JGMZOMYXRTWFPS-UHFFFAOYSA-N	1	0	369.513	1.987	20	30		FDEDRO
Cc1oc(NC(=O)CN2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)c(C#N)c1C	ZINC000370816370	990009097	/nfs/dbraw/zinc/00/90/97/990009097.db2.gz	KLKKLRHAHPNCNJ-JKSUJKDBSA-N	1	0	360.458	1.628	20	30		FDEDRO
Cc1oc(NC(=O)CN2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)c(C#N)c1C	ZINC000370816369	990009222	/nfs/dbraw/zinc/00/92/22/990009222.db2.gz	KLKKLRHAHPNCNJ-HZPDHXFCSA-N	1	0	360.458	1.628	20	30		FDEDRO
CN1CC[NH+](C[C@H]2CCCN(C(=O)c3ccccc3OCC#N)C2)CC1	ZINC000365118408	990041643	/nfs/dbraw/zinc/04/16/43/990041643.db2.gz	ROQZBDKTICWPNJ-QGZVFWFLSA-N	1	0	356.470	1.689	20	30		FDEDRO
COc1cc(C#N)ccc1OCCCC(=O)NCCCN1CCOCC1	ZINC000298488150	990129411	/nfs/dbraw/zinc/12/94/11/990129411.db2.gz	GVBKOOFUTQYHNT-UHFFFAOYSA-N	1	0	361.442	1.564	20	30		FDEDRO
CCCn1nc2c(cc1=O)C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)CC2	ZINC000365285803	990136569	/nfs/dbraw/zinc/13/65/69/990136569.db2.gz	AWVJWQHGCZXNRZ-QGZVFWFLSA-N	1	0	368.437	1.323	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)cc1	ZINC000298758153	990261544	/nfs/dbraw/zinc/26/15/44/990261544.db2.gz	OLQKAXFBLHWXOK-SFHVURJKSA-N	1	0	354.454	1.413	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[N@@H+](CC)CC2)s1	ZINC000874447644	990288161	/nfs/dbraw/zinc/28/81/61/990288161.db2.gz	UTVDITSOAUHNFY-UHFFFAOYSA-N	1	0	371.528	1.309	20	30		FDEDRO
CO/N=C/c1ccc(C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cc1	ZINC000371461682	990448622	/nfs/dbraw/zinc/44/86/22/990448622.db2.gz	ZQEROWBXYCUITL-ZFMLPXDISA-N	1	0	358.486	1.907	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccc(OCC#N)cc1	ZINC000371479823	990461148	/nfs/dbraw/zinc/46/11/48/990461148.db2.gz	JYTLYCFKDLKLIJ-RFUYNDQBSA-N	1	0	356.426	1.960	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000874846586	990573656	/nfs/dbraw/zinc/57/36/56/990573656.db2.gz	YTCJYPRGKPMNBF-IRXDYDNUSA-N	1	0	350.426	1.635	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cc1	ZINC000371634862	990587736	/nfs/dbraw/zinc/58/77/36/990587736.db2.gz	PEYNDSHGYPJHQJ-LJQANCHMSA-N	1	0	356.470	1.361	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1	ZINC000371636852	990588903	/nfs/dbraw/zinc/58/89/03/990588903.db2.gz	ZNRSXKATZPFWPI-IJEWVQPXSA-N	1	0	356.426	1.469	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000874978170	990663235	/nfs/dbraw/zinc/66/32/35/990663235.db2.gz	OKQUGMSGDYZODW-GOSISDBHSA-N	1	0	371.481	1.312	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1	ZINC000874993563	990694176	/nfs/dbraw/zinc/69/41/76/990694176.db2.gz	FBUOJQHUWKVXFE-CABCVRRESA-N	1	0	363.483	1.156	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1	ZINC000372106180	990924947	/nfs/dbraw/zinc/92/49/47/990924947.db2.gz	WFEZAZVTYRAREG-WMZOPIPTSA-N	1	0	370.453	1.422	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1	ZINC000875123210	990927969	/nfs/dbraw/zinc/92/79/69/990927969.db2.gz	RWCIVHLMLDZXPP-BHIYHBOVSA-N	1	0	371.481	1.483	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CSC[C@@H]3C2)CC1	ZINC000875182281	991021876	/nfs/dbraw/zinc/02/18/76/991021876.db2.gz	JTQCUVAQIDEEFP-CABCVRRESA-N	1	0	351.516	1.355	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H](C[NH+]2CCN(C)CC2)C1	ZINC000372369654	991049851	/nfs/dbraw/zinc/04/98/51/991049851.db2.gz	NJGQCIHADRNXRT-MJGOQNOKSA-N	1	0	369.513	1.845	20	30		FDEDRO
C=CCCOCCNC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000372474966	991144880	/nfs/dbraw/zinc/14/48/80/991144880.db2.gz	PZVAYJDUZVNZEJ-FQEVSTJZSA-N	1	0	361.486	1.858	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1	ZINC000875271524	991234585	/nfs/dbraw/zinc/23/45/85/991234585.db2.gz	KUCYHEYUCKTUFJ-GOSISDBHSA-N	1	0	367.457	1.170	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1	ZINC000372578260	991237064	/nfs/dbraw/zinc/23/70/64/991237064.db2.gz	LITRBRWXDFVBLS-FUHWJXTLSA-N	1	0	370.453	1.422	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1	ZINC000372578261	991237656	/nfs/dbraw/zinc/23/76/56/991237656.db2.gz	LITRBRWXDFVBLS-SJLPKXTDSA-N	1	0	370.453	1.422	20	30		FDEDRO
N#CCc1ccc(NC(=O)C(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)cc1	ZINC000372579509	991238556	/nfs/dbraw/zinc/23/85/56/991238556.db2.gz	WLOQVVFLEQBNOK-AEFFLSMTSA-N	1	0	370.453	1.308	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000875306911	991291954	/nfs/dbraw/zinc/29/19/54/991291954.db2.gz	GUMGXPZISMZPTP-IXDOHACOSA-N	1	0	363.502	1.300	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)N1CCC(C)([NH+]2CCCCC2)CC1)[C@@H]1CCCO1	ZINC000875325052	991321562	/nfs/dbraw/zinc/32/15/62/991321562.db2.gz	OLFJBUXGYJNDHA-SJORKVTESA-N	1	0	361.486	1.150	20	30		FDEDRO
N#CC1CCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1	ZINC000410434754	991349302	/nfs/dbraw/zinc/34/93/02/991349302.db2.gz	OJBITSNPMNBYDW-KDURUIRLSA-N	1	0	366.465	1.339	20	30		FDEDRO
CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC000875373372	991417447	/nfs/dbraw/zinc/41/74/47/991417447.db2.gz	QNLJIWMXYONJHN-MRXNPFEDSA-N	1	0	356.474	1.659	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1	ZINC000372857704	991605599	/nfs/dbraw/zinc/60/55/99/991605599.db2.gz	NMQSOJFVRVOKPY-FXAWDEMLSA-N	1	0	355.482	1.797	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1	ZINC000372857707	991605819	/nfs/dbraw/zinc/60/58/19/991605819.db2.gz	NMQSOJFVRVOKPY-YLJYHZDGSA-N	1	0	355.482	1.797	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1	ZINC000372984115	991738173	/nfs/dbraw/zinc/73/81/73/991738173.db2.gz	TYJCTWMGCVOGQY-LJQANCHMSA-N	1	0	374.529	1.067	20	30		FDEDRO
N#Cc1ccc2nc(N3CCC([NH2+][C@@H]4CCS(=O)(=O)C4)CC3)ccc2c1	ZINC000372993422	991750514	/nfs/dbraw/zinc/75/05/14/991750514.db2.gz	RMZANGMOWNAVJM-QGZVFWFLSA-N	1	0	370.478	1.852	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3CN4CCC[C@@H]4CO3)CC2)cc1	ZINC000373224282	992030121	/nfs/dbraw/zinc/03/01/21/992030121.db2.gz	RMFLZOKQEHFFMC-NHCUHLMSSA-N	1	0	354.498	1.975	20	30		FDEDRO
N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)O1	ZINC000373230785	992035636	/nfs/dbraw/zinc/03/56/36/992035636.db2.gz	RJWCDKVKKPIATP-CZIOMAOESA-N	1	0	374.437	1.984	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1	ZINC000875919170	992191398	/nfs/dbraw/zinc/19/13/98/992191398.db2.gz	COIHFWLSVREDIX-GUDVDZBRSA-N	1	0	364.534	1.615	20	30		FDEDRO
CC(C)(C#N)c1ccc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1	ZINC000373530018	992270448	/nfs/dbraw/zinc/27/04/48/992270448.db2.gz	OOZMPHANMUMVAP-LJQANCHMSA-N	1	0	370.497	1.624	20	30		FDEDRO
CN1CC[NH+](CCC(C)(C)NC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1	ZINC000876278009	992518017	/nfs/dbraw/zinc/51/80/17/992518017.db2.gz	FCZBGTLRCMFVAY-LJQANCHMSA-N	1	0	369.513	1.741	20	30		FDEDRO
C[NH+](C)CCOC1CCN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1	ZINC000876278705	992519223	/nfs/dbraw/zinc/51/92/23/992519223.db2.gz	KKKIEOBLBIKUOR-SFHVURJKSA-N	1	0	356.470	1.778	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCC([N@@H+]3CC[C@H](O)C3)CC1)C2	ZINC000876278664	992519426	/nfs/dbraw/zinc/51/94/26/992519426.db2.gz	HMWHCUFOCATNSM-MJGOQNOKSA-N	1	0	354.454	1.266	20	30		FDEDRO
C[C@@H]1CN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC[N@@H+]1CC(C)(C)O	ZINC000876282718	992522314	/nfs/dbraw/zinc/52/23/14/992522314.db2.gz	WTNXALWNASTENY-KDOFPFPSSA-N	1	0	356.470	1.512	20	30		FDEDRO
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)N[C@H]1Cc2ccc(C#N)cc2C1	ZINC000876283820	992523194	/nfs/dbraw/zinc/52/31/94/992523194.db2.gz	FXSJNLOSKATZLF-IBGZPJMESA-N	1	0	369.513	1.693	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000876504148	992671056	/nfs/dbraw/zinc/67/10/56/992671056.db2.gz	VDEZRYABHDEOHR-HXUWFJFHSA-N	1	0	372.432	1.361	20	30		FDEDRO
COC(=O)[C@@H]1CN([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC[N@H+](C)C1	ZINC000411921391	992711231	/nfs/dbraw/zinc/71/12/31/992711231.db2.gz	SHCCTSHQGORYGB-SJORKVTESA-N	1	0	372.469	1.358	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCN(C(=O)N2CCCC2)CC1	ZINC000876571590	992712243	/nfs/dbraw/zinc/71/22/43/992712243.db2.gz	NYYDYVBMKLZKJU-GOSISDBHSA-N	1	0	367.453	1.105	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@H](O)COc1cccc(F)c1	ZINC000876586648	992721965	/nfs/dbraw/zinc/72/19/65/992721965.db2.gz	HBEHQUVOBXCMRT-LPHOPBHVSA-N	1	0	369.396	1.440	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C(=O)N(C)C)C1	ZINC000411950874	992734282	/nfs/dbraw/zinc/73/42/82/992734282.db2.gz	WSPWZGUUQCUCMU-JKSUJKDBSA-N	1	0	372.469	1.740	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NCCNC(=O)c1ccc(Br)cc1	ZINC000876609170	992740089	/nfs/dbraw/zinc/74/00/89/992740089.db2.gz	PUWNVWSGLNTMLT-GFCCVEGCSA-N	1	0	374.666	1.765	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)nc1	ZINC000964935072	1015732104	/nfs/dbraw/zinc/73/21/04/1015732104.db2.gz	OVJOSVSILJPDMZ-KBAYOESNSA-N	1	0	368.481	1.514	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC(N2CCCC2=O)CC1	ZINC000876648186	992769505	/nfs/dbraw/zinc/76/95/05/992769505.db2.gz	XDATXPQDNZIPMC-IBGZPJMESA-N	1	0	352.438	1.358	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@H](O)c1c(F)cccc1F	ZINC000876677091	992788610	/nfs/dbraw/zinc/78/86/10/992788610.db2.gz	HGQNHRWYSNXKCF-FUHWJXTLSA-N	1	0	357.360	1.873	20	30		FDEDRO
CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)[C@@H]1[NH2+]CCc3cc(C#N)ccc31)CC2	ZINC000876678675	992789005	/nfs/dbraw/zinc/78/90/05/992789005.db2.gz	JCBPLOIMDVXBEO-GUDVDZBRSA-N	1	0	369.465	1.524	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](CO)Cc1cc(OC)cc(OC)c1	ZINC000876697430	992806861	/nfs/dbraw/zinc/80/68/61/992806861.db2.gz	DMXPNIJJJIDYEN-CJNGLKHVSA-N	1	0	356.850	1.441	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(Cc2cc(OC)ccc2OC)CC1	ZINC000876710386	992815836	/nfs/dbraw/zinc/81/58/36/992815836.db2.gz	JMGRFMIVWDXPOG-INIZCTEOSA-N	1	0	367.877	1.818	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(Cc2cc(F)ccc2OC)CC1	ZINC000876711072	992817710	/nfs/dbraw/zinc/81/77/10/992817710.db2.gz	RGFIGXWDKLRALE-OAHLLOKOSA-N	1	0	355.841	1.948	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(C)cc1)N1CCOCC1	ZINC000876733427	992848987	/nfs/dbraw/zinc/84/89/87/992848987.db2.gz	XSMNRVYYDDGPOV-IRXDYDNUSA-N	1	0	351.878	1.954	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccccc1OCCN1CCOCC1	ZINC000876738688	992855652	/nfs/dbraw/zinc/85/56/52/992855652.db2.gz	JWGSANFDBOMATC-MRXNPFEDSA-N	1	0	367.877	1.484	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1nc2cc(Br)cnc2[nH]1	ZINC000876772318	992895552	/nfs/dbraw/zinc/89/55/52/992895552.db2.gz	AUGDCVDUPIFFGJ-MRVPVSSYSA-N	1	0	358.627	1.807	20	30		FDEDRO
Cn1cnnc1C1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876847387	992936048	/nfs/dbraw/zinc/93/60/48/992936048.db2.gz	JHNKIEMHSDZROW-QGZVFWFLSA-N	1	0	350.426	1.280	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCC[C@H]1C(=O)Nc2ccccc21	ZINC000876872506	992943306	/nfs/dbraw/zinc/94/33/06/992943306.db2.gz	FVJWFVXEOSLPEZ-IEBWSBKVSA-N	1	0	360.417	1.987	20	30		FDEDRO
CN(CC(=O)N[C@](C)(C#N)C1CC1)C1CC[NH+](CCc2ccncc2)CC1	ZINC000375010373	992982012	/nfs/dbraw/zinc/98/20/12/992982012.db2.gz	ASZTWSSSNZHLLF-OAQYLSRUSA-N	1	0	369.513	1.829	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](Cc2nnc3ccccn32)C1	ZINC000375120976	992999651	/nfs/dbraw/zinc/99/96/51/992999651.db2.gz	MTYBLLQNRBLGLR-CABCVRRESA-N	1	0	370.457	1.384	20	30		FDEDRO
N#Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)[nH]1	ZINC000412884339	993001916	/nfs/dbraw/zinc/00/19/16/993001916.db2.gz	QKUFMRTYUISQKL-UHFFFAOYSA-N	1	0	365.437	1.514	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000375136068	993003117	/nfs/dbraw/zinc/00/31/17/993003117.db2.gz	SLXXPHOZIPSRKC-DLBZAZTESA-N	1	0	354.454	1.385	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)s1	ZINC000877047405	993028826	/nfs/dbraw/zinc/02/88/26/993028826.db2.gz	YSRXXVRXMYUGGM-RYUDHWBXSA-N	1	0	357.501	1.012	20	30		FDEDRO
COc1cccc([C@H](CNC(=O)[C@@H](C)n2cnc(C#N)n2)[NH+]2CCCC2)c1	ZINC000466938027	993250991	/nfs/dbraw/zinc/25/09/91/993250991.db2.gz	KKVFFSNAWDHKSV-PBHICJAKSA-N	1	0	368.441	1.673	20	30		FDEDRO
CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)n1cnc(C#N)n1)Cc1ccccc1	ZINC000467067855	993262343	/nfs/dbraw/zinc/26/23/43/993262343.db2.gz	HLHYCVLLCYODOE-WBVHZDCISA-N	1	0	354.458	1.780	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O	ZINC000877516916	993316896	/nfs/dbraw/zinc/31/68/96/993316896.db2.gz	GMAJCZAJTNZGBT-BEFAXECRSA-N	1	0	355.442	1.577	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC000968862039	1015774183	/nfs/dbraw/zinc/77/41/83/1015774183.db2.gz	CJSSPYWVNGGIQY-UIBIWLFHSA-N	1	0	369.469	1.432	20	30		FDEDRO
Cn1cnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)cc1=O	ZINC001095558148	993466555	/nfs/dbraw/zinc/46/65/55/993466555.db2.gz	JBNQJTZOSXXIHO-RYRKJORJSA-N	1	0	363.421	1.187	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC000968875580	1015791725	/nfs/dbraw/zinc/79/17/25/1015791725.db2.gz	JFEPOVRTEBPNJP-XWTMOSNGSA-N	1	0	369.469	1.432	20	30		FDEDRO
COC(=O)[C@](C)(C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1	ZINC000469213646	993794935	/nfs/dbraw/zinc/79/49/35/993794935.db2.gz	NJEPRSMNTWBKOB-FXAWDEMLSA-N	1	0	351.406	1.805	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NCC(=O)NCc2ccc(C#N)cc2)[C@H](C)C1	ZINC000469793045	993881129	/nfs/dbraw/zinc/88/11/29/993881129.db2.gz	BIUTYHGJRPVFQT-YLJYHZDGSA-N	1	0	372.513	1.901	20	30		FDEDRO
C=CCOC(=O)[C@H](CC(=O)N[C@@H]1CCC[N@@H+](C)C1)NC(=O)OC(C)(C)C	ZINC000878372852	993929062	/nfs/dbraw/zinc/92/90/62/993929062.db2.gz	CNDJICDRTCKHLR-KGLIPLIRSA-N	1	0	369.462	1.209	20	30		FDEDRO
CCOC(=O)[C@@H]1C[N@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)CC12COC2	ZINC000878658815	994095151	/nfs/dbraw/zinc/09/51/51/994095151.db2.gz	VASJLHKQQZSIPW-GHTZIAJQSA-N	1	0	370.449	1.939	20	30		FDEDRO
C#CCN(C(=O)NC[C@H]1CC(=O)c2ccccc2O1)C1CC[NH+](C)CC1	ZINC000923923006	994270654	/nfs/dbraw/zinc/27/06/54/994270654.db2.gz	YLGMWFBEWIYHEL-MRXNPFEDSA-N	1	0	355.438	1.759	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2CCC[C@H]2Oc2cnn(CC)c2)CC1	ZINC000924197040	994474087	/nfs/dbraw/zinc/47/40/87/994474087.db2.gz	RRFVKZDGHIVTDT-ZWKOTPCHSA-N	1	0	359.474	1.600	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CCC[C@H]1Oc1cnn(CC)c1)C1CC[NH+](C)CC1	ZINC000924196316	994474193	/nfs/dbraw/zinc/47/41/93/994474193.db2.gz	NBEMRWCZJREYLN-RBUKOAKNSA-N	1	0	373.501	1.942	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+][C@H](C)c1nncn1C)C2	ZINC000965160649	1015864791	/nfs/dbraw/zinc/86/47/91/1015864791.db2.gz	NTWAYDIULXDQEA-XKYYMMSWSA-N	1	0	359.474	1.484	20	30		FDEDRO
CN(C)c1cc[nH+]c(CNC(=O)N2CCN(c3ncccc3C#N)CC2)c1	ZINC000924648879	994910799	/nfs/dbraw/zinc/91/07/99/994910799.db2.gz	ONHDXXSITLERER-UHFFFAOYSA-N	1	0	365.441	1.446	20	30		FDEDRO
COC(=O)CCN(CC#N)[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000879474729	994935989	/nfs/dbraw/zinc/93/59/89/994935989.db2.gz	VTPWIHZEPMQALC-FUHWJXTLSA-N	1	0	372.469	1.154	20	30		FDEDRO
CN1CC[NH+](C2CCN([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)CC1	ZINC000879593733	995064486	/nfs/dbraw/zinc/06/44/86/995064486.db2.gz	LMDBNSNFOAIZRQ-QGZVFWFLSA-N	1	0	373.526	1.437	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2C[C@H](CO)[C@H](CO)C2)c1	ZINC000879695522	995193862	/nfs/dbraw/zinc/19/38/62/995193862.db2.gz	YGNDNTIJQILXAE-KURKYZTESA-N	1	0	359.470	1.471	20	30		FDEDRO
COCC[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)C1CCOCC1	ZINC000879710515	995209360	/nfs/dbraw/zinc/20/93/60/995209360.db2.gz	AMNUHNFEPOPPDW-UHFFFAOYSA-N	1	0	356.422	1.413	20	30		FDEDRO
Cc1c(Br)c(C)n(NC(=O)C2(C[NH+](C)C)CC2)c(=O)c1C#N	ZINC000879807281	995291735	/nfs/dbraw/zinc/29/17/35/995291735.db2.gz	PBQLNFBVSGINSA-UHFFFAOYSA-N	1	0	367.247	1.511	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1	ZINC000879976114	995505379	/nfs/dbraw/zinc/50/53/79/995505379.db2.gz	UKVYIUZLBJYQTR-KZNAEPCWSA-N	1	0	363.502	1.319	20	30		FDEDRO
C=C(Cl)C[C@H]1NC(=O)N(C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)C1=O	ZINC000925409860	995572362	/nfs/dbraw/zinc/57/23/62/995572362.db2.gz	XGQWGARSQIPPRQ-GZBFAFLISA-N	1	0	365.865	1.866	20	30		FDEDRO
Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]CCNC(=O)C2N=CC=CC2=O)n(C)n1	ZINC000925415507	995576254	/nfs/dbraw/zinc/57/62/54/995576254.db2.gz	RUOKXERHVLZLPK-ZWEUNIGQSA-N	1	0	357.458	1.556	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)C2	ZINC000926146888	995937920	/nfs/dbraw/zinc/93/79/20/995937920.db2.gz	IAJCPOYCFIWFKC-ANTGDGSKSA-N	1	0	370.497	1.834	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)Cc1ccc(OCC#N)cc1)C2	ZINC000926173619	995957680	/nfs/dbraw/zinc/95/76/80/995957680.db2.gz	XJHULBKUOZYKBC-RMVXJAJNSA-N	1	0	371.481	1.727	20	30		FDEDRO
C#CCC1([NH2+]C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CCOCC1	ZINC000887124489	996955040	/nfs/dbraw/zinc/95/50/40/996955040.db2.gz	GRBZJJQGKYGOMT-MRXNPFEDSA-N	1	0	357.410	1.026	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)NCCOc2ccc(Cl)cc2)CCOCC1	ZINC000887125560	996955087	/nfs/dbraw/zinc/95/50/87/996955087.db2.gz	APDDCUQDGNYHBT-UHFFFAOYSA-N	1	0	350.846	1.997	20	30		FDEDRO
C#CCC1([NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)o2)CCOCC1	ZINC000887126001	996956123	/nfs/dbraw/zinc/95/61/23/996956123.db2.gz	RWMFLNMHLVSAIY-UHFFFAOYSA-N	1	0	352.456	1.726	20	30		FDEDRO
Cc1cccc(CN2CCO[C@@H](CNC(=O)c3ccc(C#N)n3C)C2)c1	ZINC000826549915	997050871	/nfs/dbraw/zinc/05/08/71/997050871.db2.gz	CVPIAKLZYJQWSG-SFHVURJKSA-N	1	0	352.438	1.836	20	30		FDEDRO
CCN(CC)c1ccc(/C=[NH+]/Cc2nnc3c(=O)n(C)ccn23)c(O)c1	ZINC000887270111	997079387	/nfs/dbraw/zinc/07/93/87/997079387.db2.gz	HRJATRGCYZBKRM-YBFXNURJSA-N	1	0	354.414	1.599	20	30		FDEDRO
CCOCCC[NH+]=C(NCC(=O)NC(C)C)NCc1ccc(OC)cc1	ZINC000263983477	997370570	/nfs/dbraw/zinc/37/05/70/997370570.db2.gz	SCOPQVCWWRDSTI-UHFFFAOYSA-N	1	0	364.490	1.682	20	30		FDEDRO
CC(=O)Nc1ccc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)cc1	ZINC000264059791	997392422	/nfs/dbraw/zinc/39/24/22/997392422.db2.gz	CHTWMPGEGWTTIG-UHFFFAOYSA-N	1	0	353.430	1.072	20	30		FDEDRO
Cc1nccn1-c1ccc(CNC(=[NH2+])NCCCN2CCOCC2)cc1F	ZINC000264086294	997399769	/nfs/dbraw/zinc/39/97/69/997399769.db2.gz	JLRQIMONFPRZGV-UHFFFAOYSA-N	1	0	374.464	1.446	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(N2NC(=O)CCC2=O)cc1	ZINC000264241753	997435159	/nfs/dbraw/zinc/43/51/59/997435159.db2.gz	LPWNFHOIRRJQTR-UHFFFAOYSA-N	1	0	371.441	1.152	20	30		FDEDRO
Cc1ccc([C@H](CNC(=[NH2+])NCCCN2CCOCC2)N2CCCC2)o1	ZINC000264257718	997440688	/nfs/dbraw/zinc/44/06/88/997440688.db2.gz	ILDLTDSNHGKEKC-KRWDZBQOSA-N	1	0	363.506	1.352	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@@H](O)c2cc(OC)ccc2OC)CC1	ZINC000264370825	997483213	/nfs/dbraw/zinc/48/32/13/997483213.db2.gz	QVJNWHXWTRAHOM-QGZVFWFLSA-N	1	0	363.458	1.687	20	30		FDEDRO
C[NH+](C)[C@@H]1CCCN(CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1	ZINC000264766475	997599691	/nfs/dbraw/zinc/59/96/91/997599691.db2.gz	ZRBKZVOUJFBYSJ-UKRRQHHQSA-N	1	0	353.426	1.538	20	30		FDEDRO
COC(=O)[C@@H](C)C[N@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000264986820	997668408	/nfs/dbraw/zinc/66/84/08/997668408.db2.gz	NZSKMOYOEISIBZ-ZDUSSCGKSA-N	1	0	370.371	1.914	20	30		FDEDRO
C#CCCNC(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1	ZINC000265013281	997673090	/nfs/dbraw/zinc/67/30/90/997673090.db2.gz	CVQFTPAEHHMOSQ-UHFFFAOYSA-N	1	0	359.470	1.999	20	30		FDEDRO
C#CCCNC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000265085934	997693290	/nfs/dbraw/zinc/69/32/90/997693290.db2.gz	ROKDKNIOUXJOSN-GOSISDBHSA-N	1	0	355.486	1.649	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCO[C@@H](CNC(C)=O)C1)C(C)C	ZINC000265375101	997776351	/nfs/dbraw/zinc/77/63/51/997776351.db2.gz	HTURKFSODAFGST-ZWKOTPCHSA-N	1	0	366.506	1.232	20	30		FDEDRO
C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NCCNc1ncccc1C#N	ZINC000887920093	997950778	/nfs/dbraw/zinc/95/07/78/997950778.db2.gz	GHLCUMAKKQVUGC-HNNXBMFYSA-N	1	0	365.441	1.680	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)C[C@]2(C)C1	ZINC000887935166	997964050	/nfs/dbraw/zinc/96/40/50/997964050.db2.gz	LIYBPQQERMKFRE-BEFAXECRSA-N	1	0	350.426	1.350	20	30		FDEDRO
CN1CC[N@H+](C)CC(C(=O)Nc2ccc(Br)c(C#N)c2)C1	ZINC000887995115	998001931	/nfs/dbraw/zinc/00/19/31/998001931.db2.gz	YOCDHTIKTNGTJT-UHFFFAOYSA-N	1	0	351.248	1.753	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cnc1C(F)(F)F	ZINC000889749207	998586049	/nfs/dbraw/zinc/58/60/49/998586049.db2.gz	GDHBLECOLZVSRZ-KBPBESRZSA-N	1	0	368.359	1.643	20	30		FDEDRO
N#CCn1c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cc2ccccc21	ZINC000889768104	998626226	/nfs/dbraw/zinc/62/62/26/998626226.db2.gz	CNCOFHUNCNMGJL-MSOLQXFVSA-N	1	0	352.438	1.836	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)ccc1C1CC1	ZINC000889907908	998724474	/nfs/dbraw/zinc/72/44/74/998724474.db2.gz	BIXKOCSXJXBVOS-QGZVFWFLSA-N	1	0	352.438	1.975	20	30		FDEDRO
CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(CC#N)n1	ZINC000889938142	998735964	/nfs/dbraw/zinc/73/59/64/998735964.db2.gz	WIXWRDHUTMIRME-MRXNPFEDSA-N	1	0	357.458	1.857	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)C1	ZINC000890369518	998917184	/nfs/dbraw/zinc/91/71/84/998917184.db2.gz	XNTZPKGKCZTWHZ-QGZVFWFLSA-N	1	0	350.507	1.226	20	30		FDEDRO
CSc1ccc(CNC(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)cc1C#N	ZINC000890447604	998947170	/nfs/dbraw/zinc/94/71/70/998947170.db2.gz	HKNJEBQQDSQTPZ-UONOGXRCSA-N	1	0	362.499	1.877	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cccc(C3CC3)c1)C2	ZINC001110840951	999015181	/nfs/dbraw/zinc/01/51/81/999015181.db2.gz	KDBVSRZTBMLMHG-AQNXPRMDSA-N	1	0	365.477	1.577	20	30		FDEDRO
C[NH+](C)CCNC(=O)C1CCN(C(=O)Cc2ccccc2CC#N)CC1	ZINC000777400764	999061325	/nfs/dbraw/zinc/06/13/25/999061325.db2.gz	MQCKXBIWILYXCO-UHFFFAOYSA-N	1	0	356.470	1.212	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1	ZINC000266521835	999180176	/nfs/dbraw/zinc/18/01/76/999180176.db2.gz	ARCIWMNKBGDPGV-INIZCTEOSA-N	1	0	374.441	1.145	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1	ZINC000266967132	999279132	/nfs/dbraw/zinc/27/91/32/999279132.db2.gz	YLNWHEVSMZACNZ-HUUCEWRRSA-N	1	0	373.457	1.441	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1	ZINC000266967129	999279328	/nfs/dbraw/zinc/27/93/28/999279328.db2.gz	YLNWHEVSMZACNZ-GJZGRUSLSA-N	1	0	373.457	1.441	20	30		FDEDRO
COc1cc(OC)cc(N2CCC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CC2)c1	ZINC000268286273	999435088	/nfs/dbraw/zinc/43/50/88/999435088.db2.gz	QOBGFZTUZWSSPM-INIZCTEOSA-N	1	0	374.485	1.976	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)CC1	ZINC000269184603	999465749	/nfs/dbraw/zinc/46/57/49/999465749.db2.gz	CRSMXCHGEUPQPA-HXUWFJFHSA-N	1	0	370.453	1.512	20	30		FDEDRO
CO/N=C(/C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1)c1ccco1	ZINC000269505262	999469028	/nfs/dbraw/zinc/46/90/28/999469028.db2.gz	NTMDRDSVXIMUEL-CZIZESTLSA-N	1	0	362.474	1.647	20	30		FDEDRO
CN1c2ccccc2N(C)C1=C1C(=N)N(C[C@@H](O)C[NH+]2CCCC2)CC1=O	ZINC000269877988	999479684	/nfs/dbraw/zinc/47/96/84/999479684.db2.gz	XQLGZDMQGGZBIY-AWEZNQCLSA-N	1	0	369.469	1.103	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)N1CCc2ccc(C#N)cc21)c1ccccc1	ZINC000270134930	999517219	/nfs/dbraw/zinc/51/72/19/999517219.db2.gz	CHBRDVLFOFSHRA-LJQANCHMSA-N	1	0	362.433	1.866	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCc3ccc(C#N)cc32)C1	ZINC000270144754	999518749	/nfs/dbraw/zinc/51/87/49/999518749.db2.gz	FBULZHWPZZMAAL-MRXNPFEDSA-N	1	0	354.454	1.684	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)nn1CCC#N	ZINC000271025915	999650358	/nfs/dbraw/zinc/65/03/58/999650358.db2.gz	BEEDTJGPHNEHJA-UHFFFAOYSA-N	1	0	362.478	1.669	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCN(CC)c2cccc(C)c2)CC1	ZINC000283669782	999760118	/nfs/dbraw/zinc/76/01/18/999760118.db2.gz	ZYTRMQSXGRBFIP-UHFFFAOYSA-N	1	0	372.513	1.704	20	30		FDEDRO
C=CCc1cc(C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)cc(OC)c1OC	ZINC000283997025	999766365	/nfs/dbraw/zinc/76/63/65/999766365.db2.gz	IDDWIPDOEZSGFJ-IAGOWNOFSA-N	1	0	360.454	1.977	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1ccsc1	ZINC000284011373	999769781	/nfs/dbraw/zinc/76/97/81/999769781.db2.gz	NRDSCMZRYKWLPD-UHFFFAOYSA-N	1	0	370.478	1.826	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N(C)CCc1cnccn1)C(C)C	ZINC000284030562	999774111	/nfs/dbraw/zinc/77/41/11/999774111.db2.gz	LPGGJYRBMZVLKV-GOSISDBHSA-N	1	0	373.501	1.292	20	30		FDEDRO
CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)NCCCCC#N	ZINC000285032294	999896204	/nfs/dbraw/zinc/89/62/04/999896204.db2.gz	RODDIOCOXOUELF-UHFFFAOYSA-N	1	0	374.485	1.833	20	30		FDEDRO
Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCCn1cnc(C#N)n1	ZINC000285550206	999915394	/nfs/dbraw/zinc/91/53/94/999915394.db2.gz	GKHRPSTYZJHVQL-UHFFFAOYSA-N	1	0	368.445	1.032	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCc3c2cccc3O)CC1	ZINC000286273000	999943214	/nfs/dbraw/zinc/94/32/14/999943214.db2.gz	NUGFHAUFHHVYTE-QGZVFWFLSA-N	1	0	357.454	1.652	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(OCCC)nc2)CC1	ZINC000286473104	999944730	/nfs/dbraw/zinc/94/47/30/999944730.db2.gz	QGMRWXYPNPOFKA-UHFFFAOYSA-N	1	0	374.485	1.643	20	30		FDEDRO
C=CC[C@@H]1N(C(=O)C(=O)NCc2cnc(N(C)C)n2C)CCCC1(C)C	ZINC000286721085	999947089	/nfs/dbraw/zinc/94/70/89/999947089.db2.gz	DOWIGMYJXXKHFE-HNNXBMFYSA-N	1	0	361.490	1.696	20	30		FDEDRO
C#CCN(CC#C)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1	ZINC000286833908	999952136	/nfs/dbraw/zinc/95/21/36/999952136.db2.gz	TUVRBRWBCIENSQ-RTWAWAEBSA-N	1	0	360.461	1.731	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1	ZINC000287290680	999956256	/nfs/dbraw/zinc/95/62/56/999956256.db2.gz	KBDLONHFEYBMPR-WBVHZDCISA-N	1	0	359.470	1.809	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC1([NH+](C)C)CCC1	ZINC000287919561	999972626	/nfs/dbraw/zinc/97/26/26/999972626.db2.gz	VVCUKHBJPLXQBJ-UHFFFAOYSA-N	1	0	356.470	1.896	20	30		FDEDRO
C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCN(C(=O)CC#N)CC1	ZINC000288122371	999988435	/nfs/dbraw/zinc/98/84/35/999988435.db2.gz	LTYYMBBGSAIUKK-UHFFFAOYSA-N	1	0	354.410	1.692	20	30		FDEDRO
C[C@H]1[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)CC[N@@H+]1Cc1ccccc1	ZINC000288210386	999996857	/nfs/dbraw/zinc/99/68/57/999996857.db2.gz	LLHPVESBDIRIKR-XJKSGUPXSA-N	1	0	353.426	1.031	20	30		FDEDRO
C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N	ZINC000288229171	999998998	/nfs/dbraw/zinc/99/89/98/999998998.db2.gz	RNRAJCWZOYNMBQ-ZDUSSCGKSA-N	1	0	367.409	1.750	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C	ZINC000288240351	1000000195	/nfs/dbraw/zinc/00/01/95/1000000195.db2.gz	SDEKHTBYZRUJQB-RDJZCZTQSA-N	1	0	355.438	1.722	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1	ZINC000288407133	1000014539	/nfs/dbraw/zinc/01/45/39/1000014539.db2.gz	WTIFJLMKLNZSFZ-UHFFFAOYSA-N	1	0	371.481	1.460	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000289450210	1000099845	/nfs/dbraw/zinc/09/98/45/1000099845.db2.gz	TTXRLMXIKDFLKZ-UHFFFAOYSA-N	1	0	372.469	1.157	20	30		FDEDRO
C[C@@H](NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)C1=CC[N@H+](C)CC1	ZINC000292386252	1000236144	/nfs/dbraw/zinc/23/61/44/1000236144.db2.gz	RXACKUWAFUJVAK-PBHICJAKSA-N	1	0	355.442	1.766	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cnc(N4CCOCC4)s3)C2)nc1	ZINC000292696342	1000247748	/nfs/dbraw/zinc/24/77/48/1000247748.db2.gz	BXEKESXZEGWBDQ-OAHLLOKOSA-N	1	0	371.466	1.900	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)ccc1C1CC1	ZINC000927841623	1001097814	/nfs/dbraw/zinc/09/78/14/1001097814.db2.gz	GZAGODRVRFKUBU-ZIAGYGMSSA-N	1	0	366.343	1.722	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1C(=O)CNC1=O	ZINC001110934938	1001207994	/nfs/dbraw/zinc/20/79/94/1001207994.db2.gz	RUKRLHPHQWZPJM-JJXSEGSLSA-N	1	0	362.474	1.252	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2	ZINC000927925824	1001220109	/nfs/dbraw/zinc/22/01/09/1001220109.db2.gz	WMKPNDWLNUHHRE-IBGZPJMESA-N	1	0	359.401	1.521	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2	ZINC000927925825	1001220385	/nfs/dbraw/zinc/22/03/85/1001220385.db2.gz	WMKPNDWLNUHHRE-LJQANCHMSA-N	1	0	359.401	1.521	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(NC(=O)[C@@H]3C[C@H]3C3CC3)CC2)CC1	ZINC000947042078	1001442222	/nfs/dbraw/zinc/44/22/22/1001442222.db2.gz	XBDGFEVKCPXDNH-RBUKOAKNSA-N	1	0	357.498	1.485	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H](C)N2CCN(c3ccc(F)cc3)CC2)CC1	ZINC000928655787	1001611884	/nfs/dbraw/zinc/61/18/84/1001611884.db2.gz	YQOFAIUJUMYQBS-KRWDZBQOSA-N	1	0	372.488	1.550	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cccc(CN3C(=O)CSC3=O)c2)CC1	ZINC000928659205	1001614763	/nfs/dbraw/zinc/61/47/63/1001614763.db2.gz	HSQNIAQNQZMGBF-UHFFFAOYSA-N	1	0	371.462	1.709	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cnn(-c3ccc(OCC)nn3)c2C)CC1	ZINC000928659307	1001615397	/nfs/dbraw/zinc/61/53/97/1001615397.db2.gz	KOIWIJWJYMECNA-UHFFFAOYSA-N	1	0	368.441	1.197	20	30		FDEDRO
Cn1cc(OCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)cn1	ZINC001110952720	1001681215	/nfs/dbraw/zinc/68/12/15/1001681215.db2.gz	UHPIJZMOGBTPBS-QRQLOZEOSA-N	1	0	365.437	1.592	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1	ZINC000929088389	1001743700	/nfs/dbraw/zinc/74/37/00/1001743700.db2.gz	JRDRTHPSTDEHGX-UHFFFAOYSA-N	1	0	367.453	1.704	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H](C)c1ccc(OCC)cc1)C1CC[NH+](C)CC1	ZINC000929276684	1001891340	/nfs/dbraw/zinc/89/13/40/1001891340.db2.gz	BYUPFCJMKIGWAL-MRXNPFEDSA-N	1	0	371.481	1.819	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H](C)c1ccc(OC)cc1)C1CC[NH+](C)CC1	ZINC000929321604	1001933200	/nfs/dbraw/zinc/93/32/00/1001933200.db2.gz	CSCIJKMPFGYORI-HNNXBMFYSA-N	1	0	357.454	1.428	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCCc1c(F)cccc1F)C1CC[NH+](C)CC1	ZINC000929433043	1002051063	/nfs/dbraw/zinc/05/10/63/1002051063.db2.gz	YMUINHPMQBGXTM-UHFFFAOYSA-N	1	0	363.408	1.180	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c1	ZINC000948292900	1002229699	/nfs/dbraw/zinc/22/96/99/1002229699.db2.gz	KIIDKSGCEOGZPC-RDTXWAMCSA-N	1	0	354.454	1.124	20	30		FDEDRO
Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)NCC#CC[NH+](C)C	ZINC000929734032	1002383897	/nfs/dbraw/zinc/38/38/97/1002383897.db2.gz	VLXDTSIHUZVDIL-UHFFFAOYSA-N	1	0	370.375	1.974	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1	ZINC000948546669	1002445648	/nfs/dbraw/zinc/44/56/48/1002445648.db2.gz	FIEFSMSNGGMIJB-MJBXVCDLSA-N	1	0	350.381	1.832	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCC1(c2ccccc2C)CC1)C1CC[NH+](C)CC1	ZINC000929947767	1002632214	/nfs/dbraw/zinc/63/22/14/1002632214.db2.gz	QSDGMLKYYDJCGL-UHFFFAOYSA-N	1	0	367.493	1.699	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@]2(c3ccccc3)CCCO2)CC1	ZINC000930007201	1002729358	/nfs/dbraw/zinc/72/93/58/1002729358.db2.gz	LFYOIZGCMYBTMX-OAQYLSRUSA-N	1	0	371.481	1.575	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2nc(C(C)(C)C)co2)CC1	ZINC000930010928	1002734446	/nfs/dbraw/zinc/73/44/46/1002734446.db2.gz	XARVERIOLLFVDH-UHFFFAOYSA-N	1	0	362.474	1.745	20	30		FDEDRO
CCN(C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1)C[C@H](C)C#N	ZINC000779221811	1002738168	/nfs/dbraw/zinc/73/81/68/1002738168.db2.gz	PJXISXZGWNCFKS-IEBWSBKVSA-N	1	0	360.502	1.660	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Nc1cccc(C(=O)N2CCSCC2)c1	ZINC000930035877	1002755022	/nfs/dbraw/zinc/75/50/22/1002755022.db2.gz	FAOXNZPHIZWSSQ-UHFFFAOYSA-N	1	0	360.483	1.562	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1	ZINC000965993848	1016672368	/nfs/dbraw/zinc/67/23/68/1016672368.db2.gz	WLINUDMYWTUQBW-WCXIOVBPSA-N	1	0	351.491	1.271	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H]1CCOc2ccc(F)cc21)C1CC[NH+](C)CC1	ZINC000930090616	1002800192	/nfs/dbraw/zinc/80/01/92/1002800192.db2.gz	CXXNOFMYKKSGRA-QGZVFWFLSA-N	1	0	373.428	1.322	20	30		FDEDRO
C#CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC000948940746	1002853501	/nfs/dbraw/zinc/85/35/01/1002853501.db2.gz	MYMQJTDFAKOJCE-MJUUVYJYSA-N	1	0	368.477	1.777	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000930138420	1002863999	/nfs/dbraw/zinc/86/39/99/1002863999.db2.gz	ZDLSCFIJXLJXKC-MRXNPFEDSA-N	1	0	357.458	1.945	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1	ZINC000948960648	1002878483	/nfs/dbraw/zinc/87/84/83/1002878483.db2.gz	FRWCGNNAMAQROG-BZSNNMDCSA-N	1	0	363.502	1.274	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1	ZINC000949017722	1002935900	/nfs/dbraw/zinc/93/59/00/1002935900.db2.gz	OSXKDJCXHATAFV-XYPHTWIQSA-N	1	0	357.458	1.336	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC34CCC4)C[C@H]2C)CC1	ZINC000949068367	1002967567	/nfs/dbraw/zinc/96/75/67/1002967567.db2.gz	ODUXUZIIDKYNOS-KBAYOESNSA-N	1	0	357.498	1.485	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCOC2(CC[NH+](C[C@@H](C)O)CC2)C1	ZINC000949095849	1002985505	/nfs/dbraw/zinc/98/55/05/1002985505.db2.gz	YPEICBIHONJUCW-ZACQAIPSSA-N	1	0	352.475	1.042	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCCOCC)CCC1	ZINC001110987232	1003059533	/nfs/dbraw/zinc/05/95/33/1003059533.db2.gz	LBQFPKVGHASXCL-ZACQAIPSSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC1)C[N@H+]([C@H](C)COC)CCO2	ZINC000949369852	1003266193	/nfs/dbraw/zinc/26/61/93/1003266193.db2.gz	GCQQHACVUAGCCY-KURKYZTESA-N	1	0	366.502	1.696	20	30		FDEDRO
C=CCC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2)C1	ZINC000949427688	1003335700	/nfs/dbraw/zinc/33/57/00/1003335700.db2.gz	VBAFIUAEMMLQSA-OKZBNKHCSA-N	1	0	364.486	1.307	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2cc(C#N)ccc2OCCOC)CC1	ZINC000930802185	1003523525	/nfs/dbraw/zinc/52/35/25/1003523525.db2.gz	OYFFWGCJECQCAD-UHFFFAOYSA-N	1	0	356.426	1.803	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000966335631	1016785212	/nfs/dbraw/zinc/78/52/12/1016785212.db2.gz	VFWRHGCBCONASO-HLLBOEOZSA-N	1	0	371.485	1.537	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@](C(=O)NC)(C(F)(F)F)C2)cc1	ZINC000930826015	1003553267	/nfs/dbraw/zinc/55/32/67/1003553267.db2.gz	PNWYDBVMIAXJLW-KRWDZBQOSA-N	1	0	367.371	1.997	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1C#N	ZINC000930956575	1003710606	/nfs/dbraw/zinc/71/06/06/1003710606.db2.gz	FQHWCAIQDFBMSH-QZTJIDSGSA-N	1	0	354.454	1.616	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1	ZINC000949835657	1003739886	/nfs/dbraw/zinc/73/98/86/1003739886.db2.gz	WJMHMTFZYLOCEC-XYPHTWIQSA-N	1	0	357.458	1.337	20	30		FDEDRO
CC(=O)N1CCN(Cc2ccccc2NC(=O)NCC#CC[NH+](C)C)CC1	ZINC000930999961	1003756085	/nfs/dbraw/zinc/75/60/85/1003756085.db2.gz	APBNMHIEZGUZIM-UHFFFAOYSA-N	1	0	371.485	1.037	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NC2CCC(C)([NH+](C)C)CC2)cc1C#N	ZINC000931133153	1003915334	/nfs/dbraw/zinc/91/53/34/1003915334.db2.gz	MSKHCVOJCOCPGW-UHFFFAOYSA-N	1	0	356.470	1.862	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2	ZINC000931183785	1003943148	/nfs/dbraw/zinc/94/31/48/1003943148.db2.gz	UJZSPOQAZQFZEV-CYBMUJFWSA-N	1	0	366.462	1.520	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H]1c2ccccc2CC[C@H]1F)C1CC[NH+](C)CC1	ZINC000931239733	1003987965	/nfs/dbraw/zinc/98/79/65/1003987965.db2.gz	ICDSLQGCGDZAMQ-RTBURBONSA-N	1	0	371.456	1.684	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1cscc1Cl)C1CC[NH+](C)CC1	ZINC000931249384	1003994881	/nfs/dbraw/zinc/99/48/81/1003994881.db2.gz	STTVOCOGBOUDGJ-UHFFFAOYSA-N	1	0	353.875	1.574	20	30		FDEDRO
Cc1cc(N(CCC#N)C(=O)CN2CCN(C)[C@H](CO)C2)ccc1Cl	ZINC000931410680	1004133646	/nfs/dbraw/zinc/13/36/46/1004133646.db2.gz	YXNWMCGUKLLPOC-INIZCTEOSA-N	1	0	364.877	1.503	20	30		FDEDRO
N#Cc1ccc(Cl)cc1NC(=O)CN1CC[NH+](CCCCCO)CC1	ZINC000931496696	1004216089	/nfs/dbraw/zinc/21/60/89/1004216089.db2.gz	FIYRBSFRIZDBDY-UHFFFAOYSA-N	1	0	364.877	1.930	20	30		FDEDRO
C[NH+](C)CCC1CCN(C(=O)C(=O)NCc2cc(C#N)ccc2F)CC1	ZINC000931594833	1004298677	/nfs/dbraw/zinc/29/86/77/1004298677.db2.gz	ZDSVJMOMFSFIQG-UHFFFAOYSA-N	1	0	360.433	1.504	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccc(C(N)=O)cc2OC(C)C)CC1	ZINC000931776010	1004486852	/nfs/dbraw/zinc/48/68/52/1004486852.db2.gz	BYLMJLNNKUDMFN-UHFFFAOYSA-N	1	0	358.442	1.792	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c(C#N)cn1CC	ZINC000931783273	1004490658	/nfs/dbraw/zinc/49/06/58/1004490658.db2.gz	WBTJOPQHSSJHSS-OCCSQVGLSA-N	1	0	359.430	1.724	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N[C@H]1CCCN2CCSC[C@H]12	ZINC000931820259	1004516684	/nfs/dbraw/zinc/51/66/84/1004516684.db2.gz	RKYVNPLXOKPHGO-JKSUJKDBSA-N	1	0	353.532	1.887	20	30		FDEDRO
C[C@]1([C@@H]2CCC[N@H+](C[C@@H](O)COc3ccccc3C#N)C2)COC(=O)N1	ZINC000932022203	1004712357	/nfs/dbraw/zinc/71/23/57/1004712357.db2.gz	KCVAXEHDGSIPFS-GPMSIDNRSA-N	1	0	359.426	1.508	20	30		FDEDRO
CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C[C@@H]21	ZINC000932057237	1004743408	/nfs/dbraw/zinc/74/34/08/1004743408.db2.gz	OHRVNLSUQSLDJJ-OQIJWPOYSA-N	1	0	358.438	1.623	20	30		FDEDRO
Cn1ccc(C2CC[NH+](CC#CCN3C(=O)c4ccccc4C3=O)CC2)n1	ZINC000932140629	1004790959	/nfs/dbraw/zinc/79/09/59/1004790959.db2.gz	ARRATPGVDLBHPA-UHFFFAOYSA-N	1	0	362.433	1.899	20	30		FDEDRO
CCO[C@H](CNC(=O)C(=O)N(C)[C@H](C)c1cccc(C#N)c1)C[NH+](C)C	ZINC000932471553	1004975932	/nfs/dbraw/zinc/97/59/32/1004975932.db2.gz	XDSSHHQBZIEOHM-RHSMWYFYSA-N	1	0	360.458	1.161	20	30		FDEDRO
C#CCNC(=O)C[NH+]1CCC2(CO[C@H](CNC(=O)OC(C)(C)C)C2)CC1	ZINC000932674896	1005085880	/nfs/dbraw/zinc/08/58/80/1005085880.db2.gz	HQOULHUWDZZBNZ-HNNXBMFYSA-N	1	0	365.474	1.132	20	30		FDEDRO
C#CCNC(=O)CC[N@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1	ZINC000932815626	1005194857	/nfs/dbraw/zinc/19/48/57/1005194857.db2.gz	GAFPNCHSYSVQAB-QGZVFWFLSA-N	1	0	365.271	1.872	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)N[C@H](CC#N)C(F)(F)F)CC1	ZINC000932924369	1005246706	/nfs/dbraw/zinc/24/67/06/1005246706.db2.gz	WMKAXBOOGUZNGQ-CYBMUJFWSA-N	1	0	370.379	1.477	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCCNC(=O)[C@@H]2CC)c(OC)c1	ZINC000933224693	1005518590	/nfs/dbraw/zinc/51/85/90/1005518590.db2.gz	FIFVBXREANZNRV-SJORKVTESA-N	1	0	362.470	1.764	20	30		FDEDRO
CCC1(CC)CNC(=O)[C@@H]1[NH2+]CC#CCN1C(=O)c2ccccc2C1=O	ZINC000933283790	1005532044	/nfs/dbraw/zinc/53/20/44/1005532044.db2.gz	NGGJQSUMWKBFAO-INIZCTEOSA-N	1	0	353.422	1.180	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCN(Cc3ccccc3)C2=O)CC1	ZINC000933357147	1005545674	/nfs/dbraw/zinc/54/56/74/1005545674.db2.gz	UXHJROBYQLHAGC-IBGZPJMESA-N	1	0	353.466	1.639	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCO[C@@H](C[NH+]2CCC3(CC2)CC(=O)C=CO3)C1	ZINC000933645401	1005597816	/nfs/dbraw/zinc/59/78/16/1005597816.db2.gz	OISLBKYHVOLWAM-INIZCTEOSA-N	1	0	366.458	1.960	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)C[C@]2(C)C1	ZINC000933736302	1005624454	/nfs/dbraw/zinc/62/44/54/1005624454.db2.gz	VMLVWPVCLVQRMV-UZLBHIALSA-N	1	0	364.453	1.566	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C2	ZINC001111068155	1005689155	/nfs/dbraw/zinc/68/91/55/1005689155.db2.gz	VFDGNTNQUUNEOD-JJXSEGSLSA-N	1	0	359.536	1.616	20	30		FDEDRO
Cc1oc(NC(=O)[C@H](C)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c(C#N)c1C	ZINC000934265472	1005725390	/nfs/dbraw/zinc/72/53/90/1005725390.db2.gz	SYQQTMMBGWTQBE-JQFCIGGWSA-N	1	0	360.458	1.626	20	30		FDEDRO
C=CC[C@H]1CC[N@@H+]1CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1	ZINC000934463415	1005749061	/nfs/dbraw/zinc/74/90/61/1005749061.db2.gz	AFDUVBXNBGJPAE-SFHVURJKSA-N	1	0	357.454	1.426	20	30		FDEDRO
C=CC[C@@H]1CC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000934467182	1005749754	/nfs/dbraw/zinc/74/97/54/1005749754.db2.gz	PODJXSADKKBPNF-MRXNPFEDSA-N	1	0	363.483	1.170	20	30		FDEDRO
CN(C)[S@@](C)(=O)=NCC1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1	ZINC000934746596	1005790504	/nfs/dbraw/zinc/79/05/04/1005790504.db2.gz	FZZQVEBGSJBXMF-FYSMJZIKSA-N	1	0	356.536	1.718	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(CN=[S@@](C)(=O)N(C)C)CC1	ZINC000934749261	1005791275	/nfs/dbraw/zinc/79/12/75/1005791275.db2.gz	CVHGWZCBXDXVOE-IVCQMTBJSA-N	1	0	370.563	1.862	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCC(C)C)nn1	ZINC001111112450	1006224896	/nfs/dbraw/zinc/22/48/96/1006224896.db2.gz	OMMAGAGFBFKZGS-NUJGCVRESA-N	1	0	361.490	1.862	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)c1ccccc1F)C2	ZINC001111162923	1006547564	/nfs/dbraw/zinc/54/75/64/1006547564.db2.gz	RCPOAESPQDVNKP-JFTQMJAMSA-N	1	0	359.445	1.953	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O)C2	ZINC001111177924	1006648394	/nfs/dbraw/zinc/64/83/94/1006648394.db2.gz	INCQJDRMKRNZDQ-CUBALJKWSA-N	1	0	360.458	1.815	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CCC)nc1C)C2	ZINC001111179679	1006657302	/nfs/dbraw/zinc/65/73/02/1006657302.db2.gz	SMBVHVKIEAZIKX-OIISXLGYSA-N	1	0	359.474	1.239	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1	ZINC000954393975	1006688996	/nfs/dbraw/zinc/68/89/96/1006688996.db2.gz	IWORPLSYVCHPAU-WMZOPIPTSA-N	1	0	363.502	1.369	20	30		FDEDRO
C#CC[N@@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)C1CCCC1	ZINC000155767062	1006723012	/nfs/dbraw/zinc/72/30/12/1006723012.db2.gz	ZCFOYRRMOSSAGE-UHFFFAOYSA-N	1	0	360.458	1.540	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000778752578	1006752118	/nfs/dbraw/zinc/75/21/18/1006752118.db2.gz	QZDBLMXJCYBVRE-AWEZNQCLSA-N	1	0	350.463	1.738	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2CC)C1	ZINC000954502781	1006823252	/nfs/dbraw/zinc/82/32/52/1006823252.db2.gz	LNISYWQAQLDOCB-KURKYZTESA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1	ZINC000954502815	1006824436	/nfs/dbraw/zinc/82/44/36/1006824436.db2.gz	QQMZJJWMBFNOQB-BZSNNMDCSA-N	1	0	363.502	1.511	20	30		FDEDRO
C#CCN1CCN(C(=O)CN2CC=C(c3ccc(OCC)cc3)CC2)CC1	ZINC000091810331	1006919796	/nfs/dbraw/zinc/91/97/96/1006919796.db2.gz	KXMXKBWYLDFGCN-UHFFFAOYSA-N	1	0	367.493	1.952	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)c2occc2C[NH+](C)C)C1	ZINC000955136081	1007256949	/nfs/dbraw/zinc/25/69/49/1007256949.db2.gz	JHINBJQWUGMHMK-CVEARBPZSA-N	1	0	361.442	1.215	20	30		FDEDRO
C=CCc1cc(OC)cc(C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1O	ZINC000795653917	1007363010	/nfs/dbraw/zinc/36/30/10/1007363010.db2.gz	SJKCADVNIKGZSN-QGZVFWFLSA-N	1	0	368.499	1.985	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1C[C@H]1Cc1ccccc1	ZINC001114602941	1007366192	/nfs/dbraw/zinc/36/61/92/1007366192.db2.gz	SNKISLWFWGLIRW-JRHPMUGDSA-N	1	0	352.478	1.952	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@]12CCC(=O)N1CCS2)C(C)C	ZINC000642243709	1007380483	/nfs/dbraw/zinc/38/04/83/1007380483.db2.gz	NHAHXHWNTWHUSJ-QAPCUYQASA-N	1	0	351.516	1.867	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1	ZINC000947428490	1007579294	/nfs/dbraw/zinc/57/92/94/1007579294.db2.gz	ULCBDTPYIFXFGD-MSOLQXFVSA-N	1	0	368.437	1.646	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC=CCC3)C[C@H]2C)CC1	ZINC000947452856	1007603561	/nfs/dbraw/zinc/60/35/61/1007603561.db2.gz	HLUHJMUZVOTAEL-BHIYHBOVSA-N	1	0	357.498	1.651	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC000956029634	1007781368	/nfs/dbraw/zinc/78/13/68/1007781368.db2.gz	AUHHCMFNGOVIMI-VHDGCEQUSA-N	1	0	371.909	1.591	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)nc1	ZINC000956127925	1007903540	/nfs/dbraw/zinc/90/35/40/1007903540.db2.gz	WXWJIFSLHJDMQL-HYVNUMGLSA-N	1	0	354.454	1.124	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3CCC[N@H+]3CCC)C2)cn1	ZINC000957461013	1008311756	/nfs/dbraw/zinc/31/17/56/1008311756.db2.gz	WNOVHGHVVDPSAP-ATZDWAIDSA-N	1	0	368.481	1.514	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1	ZINC000949951310	1008553979	/nfs/dbraw/zinc/55/39/79/1008553979.db2.gz	HINASMZPDBYDNP-UWWQBHOKSA-N	1	0	371.485	1.726	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NC[C@]3(C)CCCC[C@@H]3O)=[NH+]C[C@@H]2C1	ZINC000305032913	1008561341	/nfs/dbraw/zinc/56/13/41/1008561341.db2.gz	RQUUOZZYGPFKFA-VCBZYWHSSA-N	1	0	366.506	1.808	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)nn1	ZINC000648843026	1008673397	/nfs/dbraw/zinc/67/33/97/1008673397.db2.gz	TZLHZRCWDJFWOI-IRXDYDNUSA-N	1	0	355.442	1.077	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3ccsn3)C[C@H]2C)CC1	ZINC000950561848	1009315923	/nfs/dbraw/zinc/31/59/23/1009315923.db2.gz	LXZFUYIGLMRXAE-CZUORRHYSA-N	1	0	360.483	1.065	20	30		FDEDRO
Cn1ccnc1[C@](O)(CCNC(=[NH2+])NCCc1ccccc1)C(F)(F)F	ZINC000303783984	1009581815	/nfs/dbraw/zinc/58/18/15/1009581815.db2.gz	OTCFXVGBDWBYHD-MRXNPFEDSA-N	1	0	369.391	1.707	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@H]3OCCN(C(=O)[C@@H]4CCC[N@H+]4C)[C@H]3C2)CC1	ZINC000960140255	1009587049	/nfs/dbraw/zinc/58/70/49/1009587049.db2.gz	WZOBTDVDKRBADS-OKZBNKHCSA-N	1	0	361.486	1.265	20	30		FDEDRO
C[C@@H]1CCO[C@@H]1C(=O)NCC[NH+]1CCC(Nc2ncccc2C#N)CC1	ZINC001111322300	1009589424	/nfs/dbraw/zinc/58/94/24/1009589424.db2.gz	AVRFZRAXXHSZME-PBHICJAKSA-N	1	0	357.458	1.371	20	30		FDEDRO
CC[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCC(Nc2nc(C)cc(C#N)n2)CC1	ZINC001111321451	1009599280	/nfs/dbraw/zinc/59/92/80/1009599280.db2.gz	OMXYRBUZURKHRZ-RHSMWYFYSA-N	1	0	356.474	1.695	20	30		FDEDRO
N#Cc1ccc(NC2CC[NH+](CCNC(=O)[C@@H]3C[C@H]3C3CC3)CC2)cn1	ZINC001111323479	1009610699	/nfs/dbraw/zinc/61/06/99/1009610699.db2.gz	DPWUQAOUCYPVNK-RBUKOAKNSA-N	1	0	353.470	1.992	20	30		FDEDRO
N#Cc1cncc(NC2CC[NH+](CCNC(=O)[C@@H]3C[C@H]3C3CC3)CC2)n1	ZINC001111323676	1009615252	/nfs/dbraw/zinc/61/52/52/1009615252.db2.gz	PJFACJMKOJPVGR-DLBZAZTESA-N	1	0	354.458	1.387	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)cc1	ZINC000950797890	1009847236	/nfs/dbraw/zinc/84/72/36/1009847236.db2.gz	MJYCYMVBWFXOLG-DNVCBOLYSA-N	1	0	353.466	1.586	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3C3CCC3)C2)CC1	ZINC000950959953	1010130268	/nfs/dbraw/zinc/13/02/68/1010130268.db2.gz	ACRBLMNKTIZHQG-HSALFYBXSA-N	1	0	371.525	1.875	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3C3CCC3)C2)CC1	ZINC000950959954	1010130669	/nfs/dbraw/zinc/13/06/69/1010130669.db2.gz	ACRBLMNKTIZHQG-SLFFLAALSA-N	1	0	371.525	1.875	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC000950990100	1010245473	/nfs/dbraw/zinc/24/54/73/1010245473.db2.gz	NMZCKHIZEIKMFF-FHLIZLRMSA-N	1	0	354.454	1.124	20	30		FDEDRO
CC(C)Cn1ccnc1CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000304755176	1010478209	/nfs/dbraw/zinc/47/82/09/1010478209.db2.gz	MLQIAWYJANPECV-UHFFFAOYSA-N	1	0	364.494	1.907	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@H]2C1	ZINC000960657000	1010553871	/nfs/dbraw/zinc/55/38/71/1010553871.db2.gz	DYNRBFQHNJCQMS-YESZJQIVSA-N	1	0	363.502	1.369	20	30		FDEDRO
COC(=O)c1cccc(CONC(=[NH2+])[C@H]2CN(C(C)C)CCO2)c1C#N	ZINC000779653842	1010660118	/nfs/dbraw/zinc/66/01/18/1010660118.db2.gz	XSCPHSXGNCYKDU-MRXNPFEDSA-N	1	0	360.414	1.453	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC000951491964	1010880550	/nfs/dbraw/zinc/88/05/50/1010880550.db2.gz	MIMIDAKGHXVVQN-HYVNUMGLSA-N	1	0	354.454	1.124	20	30		FDEDRO
C[C@@H]1CNC(NN=C2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)=[NH+]1	ZINC000779793892	1011008411	/nfs/dbraw/zinc/00/84/11/1011008411.db2.gz	BMWGTAAVAHUERR-TZMCWYRMSA-N	1	0	353.426	1.909	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccccc1F)C2	ZINC001111394037	1011100649	/nfs/dbraw/zinc/10/06/49/1011100649.db2.gz	IKGZGAFGCONHAJ-WLWJZTKJSA-N	1	0	371.456	1.618	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC([C@H]3CCN(C(=O)C#CC4CC4)C3)CC2)CC[N@@H+]1C	ZINC000952289728	1011569244	/nfs/dbraw/zinc/56/92/44/1011569244.db2.gz	TXMTZZDEDAKKDN-LSTHTHJFSA-N	1	0	371.525	1.827	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCCC1	ZINC000963117875	1011852822	/nfs/dbraw/zinc/85/28/22/1011852822.db2.gz	WJEGDNFPJFDSIB-TVFCKZIOSA-N	1	0	361.486	1.265	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](O)Cn2cccn2)cc1	ZINC001095854538	1011897160	/nfs/dbraw/zinc/89/71/60/1011897160.db2.gz	HWWMSHQEBLYTAW-ZRNYENFQSA-N	1	0	364.449	1.261	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CCN3C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC000963155104	1011932984	/nfs/dbraw/zinc/93/29/84/1011932984.db2.gz	PNXJONKPVOIVAV-LFVTVUPYSA-N	1	0	369.469	1.432	20	30		FDEDRO
CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21	ZINC000961302681	1012209436	/nfs/dbraw/zinc/20/94/36/1012209436.db2.gz	OKGNHKVTHLRESH-SLHNCBLASA-N	1	0	369.465	1.950	20	30		FDEDRO
C=C(Cl)C[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1	ZINC000961412835	1012350752	/nfs/dbraw/zinc/35/07/52/1012350752.db2.gz	UXLCMRNJXJEQLY-XHSDSOJGSA-N	1	0	353.894	1.811	20	30		FDEDRO
C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC000963908929	1012940951	/nfs/dbraw/zinc/94/09/51/1012940951.db2.gz	ZWHCKVMPLOHZCJ-SSHXOBKSSA-N	1	0	371.909	1.734	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCCC[N@@H+](C)CC(C)C)cc1	ZINC000652521906	1017337436	/nfs/dbraw/zinc/33/74/36/1017337436.db2.gz	IKYYYNMJJWBFCC-UHFFFAOYSA-N	1	0	367.515	1.859	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1	ZINC000652628919	1017495594	/nfs/dbraw/zinc/49/55/94/1017495594.db2.gz	SOFXGFXJQHAUKZ-YWZLYKJASA-N	1	0	370.453	1.128	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H](C)C[NH+]3CCCC3)CC2)o1	ZINC000189169271	177912998	/nfs/dbraw/zinc/91/29/98/177912998.db2.gz	YQWOESGMHVSVJL-AWEZNQCLSA-N	1	0	359.474	1.919	20	30		FDEDRO
CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000190686443	178016247	/nfs/dbraw/zinc/01/62/47/178016247.db2.gz	YROKSQGMBPDWCN-UHFFFAOYSA-N	1	0	374.489	1.783	20	30		FDEDRO
Cn1cc(C[NH2+]CCCN2CCN(C(=O)OC(C)(C)C)CC2)cc1C#N	ZINC000190848516	178027220	/nfs/dbraw/zinc/02/72/20/178027220.db2.gz	CBYGLGDUXDZVLK-UHFFFAOYSA-N	1	0	361.490	1.929	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ncc1C#N	ZINC000517586060	539373569	/nfs/dbraw/zinc/37/35/69/539373569.db2.gz	ZOCQAGRERYLZJZ-RHSMWYFYSA-N	1	0	367.453	1.676	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000518254714	539403058	/nfs/dbraw/zinc/40/30/58/539403058.db2.gz	HWRNEOHMWXQMBN-MJGOQNOKSA-N	1	0	373.497	1.674	20	30		FDEDRO
Cc1ccccc1C[C@@H](CO)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000521874893	539519475	/nfs/dbraw/zinc/51/94/75/539519475.db2.gz	GVYRJFBQCRTQRK-KRWDZBQOSA-N	1	0	359.451	1.229	20	30		FDEDRO
CC[N@H+](C)C[C@@H](O)CN1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000522010353	539532160	/nfs/dbraw/zinc/53/21/60/539532160.db2.gz	AUXYYPRBOGLYTM-QGZVFWFLSA-N	1	0	353.470	1.541	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@H+](CCO)CCOCC(F)(F)F)cc1	ZINC000264896276	179232939	/nfs/dbraw/zinc/23/29/39/179232939.db2.gz	TZFUWQFBWLHZPE-CQSZACIVSA-N	1	0	362.348	1.171	20	30		FDEDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000265502101	179393065	/nfs/dbraw/zinc/39/30/65/179393065.db2.gz	FWJCMSOVOVUZSN-LBPRGKRZSA-N	1	0	353.373	1.527	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1C#N	ZINC000528061918	539729243	/nfs/dbraw/zinc/72/92/43/539729243.db2.gz	YWLNQKLVEFHJES-MRXNPFEDSA-N	1	0	363.483	1.646	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)CN1CCN(Cc2ccccn2)CC1	ZINC000528343463	539751276	/nfs/dbraw/zinc/75/12/76/539751276.db2.gz	BTXVOTKTWJYBPE-IBGZPJMESA-N	1	0	352.438	1.511	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1	ZINC000269008187	180197199	/nfs/dbraw/zinc/19/71/99/180197199.db2.gz	LORZCDOELZDFNC-HOCLYGCPSA-N	1	0	356.426	1.448	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1ccc(C#N)cc1	ZINC000268926925	180181315	/nfs/dbraw/zinc/18/13/15/180181315.db2.gz	YINYNDSSEMMJEA-MAUKXSAKSA-N	1	0	369.469	1.567	20	30		FDEDRO
COC(=O)C[C@@H]1CSCCN1[C@@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000269580180	180334888	/nfs/dbraw/zinc/33/48/88/180334888.db2.gz	FESWWUNJMLORHF-HZPDHXFCSA-N	1	0	359.451	1.644	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3ccc(COC)c(C#N)c3)C2)CC1	ZINC000529212765	539811951	/nfs/dbraw/zinc/81/19/51/539811951.db2.gz	KFKSKDNVAWFMQU-IBGZPJMESA-N	1	0	371.485	1.948	20	30		FDEDRO
COc1cc(CNC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)ccc1C#N	ZINC000529323993	539819703	/nfs/dbraw/zinc/81/97/03/539819703.db2.gz	GESUNBMGHWBRHK-SFHVURJKSA-N	1	0	372.469	1.867	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000530233695	539916314	/nfs/dbraw/zinc/91/63/14/539916314.db2.gz	GGSFESUIZUPBCU-ROUUACIJSA-N	1	0	372.469	1.568	20	30		FDEDRO
CN1C(=O)c2ccccc2[C@@H]1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000530242017	539919597	/nfs/dbraw/zinc/91/95/97/539919597.db2.gz	GDXHEGRPKKGUCM-SFHVURJKSA-N	1	0	369.446	1.748	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCN(c2ccccc2F)C1=O	ZINC000530232071	539915155	/nfs/dbraw/zinc/91/51/55/539915155.db2.gz	WPMQDYANOJAUQO-WBVHZDCISA-N	1	0	369.396	1.832	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1	ZINC000530461174	539977183	/nfs/dbraw/zinc/97/71/83/539977183.db2.gz	OZTJGTDCBNQACD-UHFFFAOYSA-N	1	0	371.489	1.082	20	30		FDEDRO
CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cc(C)nn1CCC#N	ZINC000530516386	539989802	/nfs/dbraw/zinc/98/98/02/539989802.db2.gz	HDWOQOOLEHYDCF-UHFFFAOYSA-N	1	0	360.462	1.378	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@@H]3C)cc2C1=O	ZINC000531823562	540119149	/nfs/dbraw/zinc/11/91/49/540119149.db2.gz	ISIJUTGZACTIAX-YVEFUNNKSA-N	1	0	353.422	1.681	20	30		FDEDRO
CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC(=O)N(CCC#N)CCC#N)C1	ZINC000532097827	540137936	/nfs/dbraw/zinc/13/79/36/540137936.db2.gz	RCVFATOWCPOKGM-IAGOWNOFSA-N	1	0	361.490	1.659	20	30		FDEDRO
CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)C1	ZINC000481063558	538872291	/nfs/dbraw/zinc/87/22/91/538872291.db2.gz	VMVAYQBNHKTJFR-UONOGXRCSA-N	1	0	364.471	1.836	20	30		FDEDRO
COC(=O)c1cccc(CN2CCC(C[NH+]3CCOCC3)CC2)c1C#N	ZINC000534490321	540373086	/nfs/dbraw/zinc/37/30/86/540373086.db2.gz	XUSLOQOQENYVDO-UHFFFAOYSA-N	1	0	357.454	1.889	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC2(CC1)NC(=O)N(C)C2=O	ZINC000536372930	540585497	/nfs/dbraw/zinc/58/54/97/540585497.db2.gz	WOULQAXFOFEYKR-MRXNPFEDSA-N	1	0	373.453	1.171	20	30		FDEDRO
N#CC1(c2ccc(C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)cc2)CC1	ZINC000537474550	540733804	/nfs/dbraw/zinc/73/38/04/540733804.db2.gz	OXCJKOVOQXBAJT-INIZCTEOSA-N	1	0	354.454	1.559	20	30		FDEDRO
CC(C)[C@@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1	ZINC000269044494	674105666	/nfs/dbraw/zinc/10/56/66/674105666.db2.gz	LQAPILBMCKRAJF-WBFOAEISSA-N	1	0	352.460	1.421	20	30		FDEDRO
C=CC[C@@H](CO)CNC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000538212095	540826043	/nfs/dbraw/zinc/82/60/43/540826043.db2.gz	BGTNQCWBQDZXAR-MJGOQNOKSA-N	1	0	360.502	1.459	20	30		FDEDRO
CCCC[C@H](NC(N)=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000109191291	209300150	/nfs/dbraw/zinc/30/01/50/209300150.db2.gz	YVZOKYYRVLGPHB-KRWDZBQOSA-N	1	0	359.474	1.676	20	30		FDEDRO
C[NH+](C)CCOC1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1	ZINC000472148851	781939705	/nfs/dbraw/zinc/93/97/05/781939705.db2.gz	BFNLEHFWSNPZMT-GOSISDBHSA-N	1	0	354.454	1.810	20	30		FDEDRO
C[C@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1C#N)[N@@H+]1CCC[C@@H](C)C1	ZINC000540967675	541126116	/nfs/dbraw/zinc/12/61/16/541126116.db2.gz	MHMCMBYKZMYBPZ-ZIAGYGMSSA-N	1	0	361.494	1.558	20	30		FDEDRO
Cn1c(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(C#N)c(=O)n(C)c1=O	ZINC000106262395	209272210	/nfs/dbraw/zinc/27/22/10/209272210.db2.gz	WVTKHYLWXAEWJV-HNNXBMFYSA-N	1	0	353.426	1.032	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)ccc1F	ZINC000269240364	674108148	/nfs/dbraw/zinc/10/81/48/674108148.db2.gz	XJXSHYQCDCQLGT-TZMCWYRMSA-N	1	0	369.462	1.408	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@]2(C)CC[NH2+]C2)cc1	ZINC000269256093	674108178	/nfs/dbraw/zinc/10/81/78/674108178.db2.gz	OSRKLOZMLVGSHH-SWEXZPIWSA-N	1	0	364.471	1.438	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1	ZINC000269265076	674108449	/nfs/dbraw/zinc/10/84/49/674108449.db2.gz	UJADPTALJXBHDN-BURGGWLNSA-N	1	0	364.471	1.565	20	30		FDEDRO
C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000542745213	541458339	/nfs/dbraw/zinc/45/83/39/541458339.db2.gz	KHUGPKRFFAZYCG-LBPRGKRZSA-N	1	0	366.443	1.817	20	30		FDEDRO
C=CCSCCNC(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1	ZINC000542817327	541477684	/nfs/dbraw/zinc/47/76/84/541477684.db2.gz	ASZNZFZWQRVGDZ-UHFFFAOYSA-N	1	0	363.531	1.942	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000543218130	541552922	/nfs/dbraw/zinc/55/29/22/541552922.db2.gz	NQKFOPIKLRWMNX-ZFWWWQNUSA-N	1	0	374.441	1.121	20	30		FDEDRO
C=CCN1CCC(NS(=O)(=O)c2cccc(F)c2C(=O)OC)CC1	ZINC000269661010	674111514	/nfs/dbraw/zinc/11/15/14/674111514.db2.gz	LQFWEQSABLICCS-UHFFFAOYSA-N	1	0	356.419	1.541	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)N2CCC(CC#N)CC2)CC1	ZINC000543772159	541658758	/nfs/dbraw/zinc/65/87/58/541658758.db2.gz	RVMOBNFALOWKLX-UHFFFAOYSA-N	1	0	356.474	1.669	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(F)c1	ZINC000275898310	181445294	/nfs/dbraw/zinc/44/52/94/181445294.db2.gz	OLMXQIPUNNJAFV-IAGOWNOFSA-N	1	0	374.416	1.130	20	30		FDEDRO
C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1	ZINC000544851927	541843120	/nfs/dbraw/zinc/84/31/20/541843120.db2.gz	HXIUOQFJPAXXCZ-RDJZCZTQSA-N	1	0	356.474	1.658	20	30		FDEDRO
Cc1cc(S(=O)(=O)NCC2([NH+]3CCCC3)CCOCC2)ccc1C#N	ZINC000278103386	181909161	/nfs/dbraw/zinc/90/91/61/181909161.db2.gz	WTDPOXUKUBADHD-UHFFFAOYSA-N	1	0	363.483	1.790	20	30		FDEDRO
N#Cc1ccnc(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)c1	ZINC000283209382	182129694	/nfs/dbraw/zinc/12/96/94/182129694.db2.gz	XJRDGMALQNFDCL-MRXNPFEDSA-N	1	0	363.421	1.903	20	30		FDEDRO
CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)n1cnc(C#N)n1)c1cccc(OC)c1	ZINC000545257462	541916010	/nfs/dbraw/zinc/91/60/10/541916010.db2.gz	VULGQIGWUGAOPQ-YOEHRIQHSA-N	1	0	370.457	1.919	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(C#N)cc1	ZINC000284073080	182356232	/nfs/dbraw/zinc/35/62/32/182356232.db2.gz	RLVWGSKNMRWXLO-HOTGVXAUSA-N	1	0	372.469	1.353	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(c2cccc(C#N)n2)CC1)C(C)(C)C[NH+](C)C	ZINC000545482712	541983912	/nfs/dbraw/zinc/98/39/12/541983912.db2.gz	HSYGGZRGJGEOTD-HNNXBMFYSA-N	1	0	358.490	1.761	20	30		FDEDRO
C=CCNC(=O)CN1CC[NH+](C[C@H](C)Cc2ccc(OC)c(F)c2)CC1	ZINC000545598411	542001691	/nfs/dbraw/zinc/00/16/91/542001691.db2.gz	FHHZKLJQWIGYRF-MRXNPFEDSA-N	1	0	363.477	1.933	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1	ZINC000546003744	542072597	/nfs/dbraw/zinc/07/25/97/542072597.db2.gz	YUOABXQQJXPFNJ-OAHLLOKOSA-N	1	0	358.442	1.599	20	30		FDEDRO
C[C@H](O)CN1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)[C@@H](C)C1	ZINC000286165811	183003153	/nfs/dbraw/zinc/00/31/53/183003153.db2.gz	JVAQFDBICMHBOY-YQQAZPJKSA-N	1	0	374.460	1.437	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000286449477	183068769	/nfs/dbraw/zinc/06/87/69/183068769.db2.gz	RJUVYMHLVLGECU-RDJZCZTQSA-N	1	0	373.476	1.276	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)C2)nc1	ZINC000291652446	183804865	/nfs/dbraw/zinc/80/48/65/183804865.db2.gz	NYGHDJQZTXRFSB-IKGGRYGDSA-N	1	0	355.442	1.743	20	30		FDEDRO
COc1cc(C#N)ccc1NCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1	ZINC000547415001	542335309	/nfs/dbraw/zinc/33/53/09/542335309.db2.gz	ZDGBORHITZBCEE-INIZCTEOSA-N	1	0	360.458	1.452	20	30		FDEDRO
N#CCCN(CCN1CCOCC1)C(=O)c1ccc(C[NH+]2CCCC2)cc1	ZINC000548414444	542660469	/nfs/dbraw/zinc/66/04/69/542660469.db2.gz	AETZZDRSHMDYNR-UHFFFAOYSA-N	1	0	370.497	1.970	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]CCCOC[C@H]2CCCO2)c1	ZINC000548908324	542803337	/nfs/dbraw/zinc/80/33/37/542803337.db2.gz	QZODXMVYPPQBCL-MRXNPFEDSA-N	1	0	352.456	1.507	20	30		FDEDRO
C[NH+](C)CCOc1cccc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)c1	ZINC000550153809	543023844	/nfs/dbraw/zinc/02/38/44/543023844.db2.gz	ZEKRTFNHRPUVIS-UHFFFAOYSA-N	1	0	350.426	1.831	20	30		FDEDRO
COC(=O)c1cnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nc1	ZINC000550333949	543071622	/nfs/dbraw/zinc/07/16/22/543071622.db2.gz	HVIFXVISUVTFBZ-UHFFFAOYSA-N	1	0	351.410	1.847	20	30		FDEDRO
CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCC(C#N)CC1)c1ccccc1	ZINC000550392874	543089886	/nfs/dbraw/zinc/08/98/86/543089886.db2.gz	FRLJDEFWVQCHDN-SFHVURJKSA-N	1	0	356.470	1.948	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)c1ccc(C#N)cc1	ZINC000550979557	543210077	/nfs/dbraw/zinc/21/00/77/543210077.db2.gz	NIPPTBIHCXXLIU-AWEZNQCLSA-N	1	0	354.454	1.726	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1	ZINC000551025169	543218553	/nfs/dbraw/zinc/21/85/53/543218553.db2.gz	UPXAPROPNJVICQ-INIZCTEOSA-N	1	0	355.548	1.895	20	30		FDEDRO
CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000551050492	543225243	/nfs/dbraw/zinc/22/52/43/543225243.db2.gz	JDCNMKDXKARPSZ-UHFFFAOYSA-N	1	0	367.247	1.669	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]CCNC(=O)c3ccc(Cl)cc3)cnc12	ZINC000551257622	543260594	/nfs/dbraw/zinc/26/05/94/543260594.db2.gz	YYSXFLNXRWSWIF-UHFFFAOYSA-N	1	0	354.801	1.774	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)n(CCC#N)n1	ZINC000551373250	543276154	/nfs/dbraw/zinc/27/61/54/543276154.db2.gz	ZVWOUJOMQMKTKL-IIAWOOMASA-N	1	0	372.473	1.232	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H](C)C(=O)NCC[NH+](C)C	ZINC000552310705	543449640	/nfs/dbraw/zinc/44/96/40/543449640.db2.gz	GYAZYHRQDPBBKG-PBHICJAKSA-N	1	0	360.458	1.144	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]CCc3cc(F)cc4c3OCOC4)cnc12	ZINC000552423515	543464972	/nfs/dbraw/zinc/46/49/72/543464972.db2.gz	KDUSZMOFTWSXFQ-UHFFFAOYSA-N	1	0	353.357	1.939	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)NCC1CC[NH+](CCN(C)C)CC1	ZINC000074138148	172074322	/nfs/dbraw/zinc/07/43/22/172074322.db2.gz	GKIIGCCIPBBFEB-INIZCTEOSA-N	1	0	358.486	1.715	20	30		FDEDRO
CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000077616414	172130289	/nfs/dbraw/zinc/13/02/89/172130289.db2.gz	DKIXSAODJBMTHO-OAHLLOKOSA-N	1	0	350.488	1.110	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C#N)c2)[C@H](C)C1	ZINC000115891089	172659973	/nfs/dbraw/zinc/65/99/73/172659973.db2.gz	HOIIGYQAYKWGBO-CRAIPNDOSA-N	1	0	372.469	1.750	20	30		FDEDRO
C[N@H+](CCN1CCN(C(=O)c2ccc(C#N)[nH]2)CC1)Cc1ccccc1	ZINC000125664304	173014710	/nfs/dbraw/zinc/01/47/10/173014710.db2.gz	LRGGMDXTHDVCSY-UHFFFAOYSA-N	1	0	351.454	1.776	20	30		FDEDRO
C[C@H](CO[C@H]1CCOC1)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000130823460	173181141	/nfs/dbraw/zinc/18/11/41/173181141.db2.gz	RGSDTNYCRSDPNK-APWZRJJASA-N	1	0	374.485	1.825	20	30		FDEDRO
CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC(Oc2ccc(C#N)cc2)C1	ZINC000132228286	173225839	/nfs/dbraw/zinc/22/58/39/173225839.db2.gz	OCYPUERNEHQFTJ-IBGZPJMESA-N	1	0	357.454	1.941	20	30		FDEDRO
N#Cc1ccsc1NC(=O)CC[NH+]1CCC(N2CCCNC2=O)CC1	ZINC000135415069	173344740	/nfs/dbraw/zinc/34/47/40/173344740.db2.gz	JKVKBJUIARWBAL-UHFFFAOYSA-N	1	0	361.471	1.828	20	30		FDEDRO
C[C@@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccc(C#N)cc2F)C[C@@H](C)O1	ZINC000135762288	173353035	/nfs/dbraw/zinc/35/30/35/173353035.db2.gz	LWQDBEJXSKDSHV-CHWSQXEVSA-N	1	0	362.405	1.251	20	30		FDEDRO
CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCN(c3sccc3C#N)C1=O)CC2	ZINC000176789839	174087777	/nfs/dbraw/zinc/08/77/77/174087777.db2.gz	KQWCNVVJVOBRHK-CHWSQXEVSA-N	1	0	356.455	1.484	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)c1	ZINC000177852295	174161148	/nfs/dbraw/zinc/16/11/48/174161148.db2.gz	PZHJQKNTKNDJEM-UHFFFAOYSA-N	1	0	371.485	1.731	20	30		FDEDRO
CS(=O)(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2Br)C1	ZINC000181115605	174207675	/nfs/dbraw/zinc/20/76/75/174207675.db2.gz	DNHWNMNRNURZHE-LBPRGKRZSA-N	1	0	358.261	1.444	20	30		FDEDRO
Cc1cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)ccc1-n1cncn1	ZINC000180585448	258370938	/nfs/dbraw/zinc/37/09/38/258370938.db2.gz	QDHNOYBQUQRBIQ-INIZCTEOSA-N	1	0	374.452	1.948	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1	ZINC000178016366	258327681	/nfs/dbraw/zinc/32/76/81/258327681.db2.gz	DDBRHQUXEGBXHY-GJZGRUSLSA-N	1	0	358.442	1.884	20	30		FDEDRO
Cc1oc(NC(=O)[C@H](C)N2CC[NH+](C[C@@H]3CCOC3)CC2)c(C#N)c1C	ZINC000178824122	258336782	/nfs/dbraw/zinc/33/67/82/258336782.db2.gz	ICLDEQJQNSYPJS-HOCLYGCPSA-N	1	0	360.458	1.749	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCCN(c3ccccn3)CC2)cc1	ZINC000183803657	258380796	/nfs/dbraw/zinc/38/07/96/258380796.db2.gz	AHRCWIYHFUYSOF-SFHVURJKSA-N	1	0	352.438	1.905	20	30		FDEDRO
C[C@@H](C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)[NH+]1CC(C)C1	ZINC000553268564	543598834	/nfs/dbraw/zinc/59/88/34/543598834.db2.gz	QQBYGXWCNAWDOL-HNNXBMFYSA-N	1	0	366.469	1.715	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccn(C3CCCC3)n2)CC1	ZINC000553330340	543610674	/nfs/dbraw/zinc/61/06/74/543610674.db2.gz	GMAFDHQTDXEQRE-UHFFFAOYSA-N	1	0	359.474	1.381	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[C@@H](OC)C(F)(F)F)CC1	ZINC000553394774	543626062	/nfs/dbraw/zinc/62/60/62/543626062.db2.gz	VSGZIEKIVKSPNG-CYBMUJFWSA-N	1	0	365.396	1.227	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@H]2CNc3c(C#N)cnn3C2)cc1NC(C)=O	ZINC000553423940	543633649	/nfs/dbraw/zinc/63/36/49/543633649.db2.gz	HZZDXKTZCSUMEN-AWEZNQCLSA-N	1	0	354.414	1.553	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1	ZINC000553712067	543686242	/nfs/dbraw/zinc/68/62/42/543686242.db2.gz	PVCHEZBFGWJQAB-BBWFWOEESA-N	1	0	361.486	1.217	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCC[C@H]2SCC)CC1	ZINC000553669546	543678069	/nfs/dbraw/zinc/67/80/69/543678069.db2.gz	GKOYHCJJYYRFJK-JKSUJKDBSA-N	1	0	353.532	1.934	20	30		FDEDRO
CN(CCOCc1ccc(C#N)cc1)C(=O)NCCCC[NH+]1CCOCC1	ZINC000554691348	543853759	/nfs/dbraw/zinc/85/37/59/543853759.db2.gz	GNBGHAFKEXAYQK-UHFFFAOYSA-N	1	0	374.485	1.829	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2CCCN(c3ncccn3)C2)c1	ZINC000554798035	543873316	/nfs/dbraw/zinc/87/33/16/543873316.db2.gz	MUHMJLNTSKFUEK-INIZCTEOSA-N	1	0	371.466	1.381	20	30		FDEDRO
N#CCCN(C(=O)C[NH2+][C@H](C1CC1)[C@]1(CO)CCCO1)c1ccccc1	ZINC000555761967	544024232	/nfs/dbraw/zinc/02/42/32/544024232.db2.gz	RTUSOFVGLJFUQP-WOJBJXKFSA-N	1	0	357.454	1.843	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)c1ccc(C#N)cc1	ZINC000556040424	544080296	/nfs/dbraw/zinc/08/02/96/544080296.db2.gz	XTJCCNXQQRUXFD-OAHLLOKOSA-N	1	0	372.469	1.305	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000555893284	544048638	/nfs/dbraw/zinc/04/86/38/544048638.db2.gz	BPWHSIQVJAOTOY-DLBZAZTESA-N	1	0	351.491	1.912	20	30		FDEDRO
CC(C)(CNC(=O)C(=O)N1CCC(C#N)CC1)[N@@H+]1CCc2ccccc2C1	ZINC000556086300	544092041	/nfs/dbraw/zinc/09/20/41/544092041.db2.gz	CDGKAALZNFJQPY-UHFFFAOYSA-N	1	0	368.481	1.702	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCCO[C@@H](CC)C1)C(C)C	ZINC000556207946	544117999	/nfs/dbraw/zinc/11/79/99/544117999.db2.gz	PBHJFRBGEYBUEZ-ZWKOTPCHSA-N	1	0	365.518	1.829	20	30		FDEDRO
C[N@@H+]1CCN(CC(=O)N(CCC#N)CCC#N)C[C@@H]1Cc1ccccc1	ZINC000556508873	544150864	/nfs/dbraw/zinc/15/08/64/544150864.db2.gz	ZQMKDXQXILQZDL-IBGZPJMESA-N	1	0	353.470	1.501	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](O)C[C@H]2[C@H]2CCCOC2)CC1	ZINC000556740032	544188881	/nfs/dbraw/zinc/18/88/81/544188881.db2.gz	ODRCIZAXTQQTQL-JQHSSLGASA-N	1	0	351.491	1.598	20	30		FDEDRO
C=CCn1c([C@H]2CCOC2)nnc1N1CC[NH+](CC2CCOCC2)CC1	ZINC000556920011	544220963	/nfs/dbraw/zinc/22/09/63/544220963.db2.gz	XXLJTAWTHBRYDC-KRWDZBQOSA-N	1	0	361.490	1.517	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NC1CCC(C[NH+](C)C)CC1	ZINC000557392132	544286479	/nfs/dbraw/zinc/28/64/79/544286479.db2.gz	PBYUKPWGDFTMMW-UHFFFAOYSA-N	1	0	356.470	1.753	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](OCCC)CC2)CC1	ZINC000557766865	544343942	/nfs/dbraw/zinc/34/39/42/544343942.db2.gz	KXVCCLWNFSVVGX-GOSISDBHSA-N	1	0	365.518	1.951	20	30		FDEDRO
C[C@@]1(CNC(=O)C(=O)N2CCC(C#N)CC2)CCC[N@@H+]1Cc1ccccc1	ZINC000557913298	544362286	/nfs/dbraw/zinc/36/22/86/544362286.db2.gz	MXVJEAQAYLIGQY-NRFANRHFSA-N	1	0	368.481	1.919	20	30		FDEDRO
C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc(C#N)c(F)c1	ZINC000558519957	544454833	/nfs/dbraw/zinc/45/48/33/544454833.db2.gz	KAGFCEMZVONKMJ-HNNXBMFYSA-N	1	0	362.405	1.205	20	30		FDEDRO
COc1cc(CNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)ccc1C#N	ZINC000558609824	544481153	/nfs/dbraw/zinc/48/11/53/544481153.db2.gz	IGLBNMSTTSAWOO-UHFFFAOYSA-N	1	0	359.474	1.392	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)N2CCN(c3cnccc3C#N)CC2)CC1	ZINC000558971751	544563458	/nfs/dbraw/zinc/56/34/58/544563458.db2.gz	PVEVRXFCHWSYQV-UHFFFAOYSA-N	1	0	356.474	1.658	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(c2cnccc2C#N)CC1)[NH+]1CCC(C)CC1	ZINC000559006671	544569065	/nfs/dbraw/zinc/56/90/65/544569065.db2.gz	MMXOHZCCTOMUEP-QGZVFWFLSA-N	1	0	370.501	1.905	20	30		FDEDRO
N#CC1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCCC2)CC1	ZINC000559488898	544704449	/nfs/dbraw/zinc/70/44/49/544704449.db2.gz	UEHMMMYQUUKVPT-UHFFFAOYSA-N	1	0	354.454	1.661	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1	ZINC000560431243	545005421	/nfs/dbraw/zinc/00/54/21/545005421.db2.gz	GCJLSAZLGQHCMB-SJORKVTESA-N	1	0	350.507	1.579	20	30		FDEDRO
C[C@@H]([NH2+]CCCn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccc(C#N)cc1	ZINC000299559666	259006467	/nfs/dbraw/zinc/00/64/67/259006467.db2.gz	GQPPYDGDQCOIAC-CYBMUJFWSA-N	1	0	366.425	1.046	20	30		FDEDRO
Cn1c(Nc2ccc(CC[NH+]3CCCC3)cc2)c(C#N)c(=O)n(C)c1=O	ZINC000301184000	259022683	/nfs/dbraw/zinc/02/26/83/259022683.db2.gz	JBAONSFAMRUKGY-UHFFFAOYSA-N	1	0	353.426	1.338	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H]2[C@H]2COCC[C@H]2O)C1=O	ZINC000328824991	259060347	/nfs/dbraw/zinc/06/03/47/259060347.db2.gz	PWMVKZQQPOMWET-LVQVYYBASA-N	1	0	361.467	1.587	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](N3C[C@@H]4CCS(=O)(=O)[C@@H]4C3)C2=O)cc1	ZINC000329157336	259080634	/nfs/dbraw/zinc/08/06/34/259080634.db2.gz	DDMGJGLYDNKYIJ-USXIJHARSA-N	1	0	359.451	1.173	20	30		FDEDRO
C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000331914684	259228787	/nfs/dbraw/zinc/22/87/87/259228787.db2.gz	UPBBZLDUVYSQLT-VBQJREDUSA-N	1	0	355.442	1.445	20	30		FDEDRO
C[NH+](C)C1CCC(NC(=O)N2CCN(c3ncccc3C#N)CC2)CC1	ZINC000332536646	259274660	/nfs/dbraw/zinc/27/46/60/259274660.db2.gz	YRWKKBOXAXRHAL-UHFFFAOYSA-N	1	0	356.474	1.658	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC[N@@H+]1C	ZINC000332553234	259276824	/nfs/dbraw/zinc/27/68/24/259276824.db2.gz	QMPYVXHGADHBJS-ILXRZTDVSA-N	1	0	357.462	1.051	20	30		FDEDRO
N#Cc1ccc(NC(=O)N2CCC[C@@H](N3CCNCC3=O)C2)cc1Cl	ZINC000333190641	259321252	/nfs/dbraw/zinc/32/12/52/259321252.db2.gz	UYDNCWDYGKGEIJ-CQSZACIVSA-N	1	0	361.833	1.640	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)C2=O)cc1	ZINC000333641612	259365332	/nfs/dbraw/zinc/36/53/32/259365332.db2.gz	UMECQRXQGWJIBJ-NXHRZFHOSA-N	1	0	367.453	1.447	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1	ZINC000333637662	259365724	/nfs/dbraw/zinc/36/57/24/259365724.db2.gz	HQBRGDGFFQUYHB-SJORKVTESA-N	1	0	363.483	1.774	20	30		FDEDRO
N#Cc1ccc(Br)c(CN2CC[C@@H]3OCC(=O)N[C@H]3C2)c1	ZINC000333649509	259366858	/nfs/dbraw/zinc/36/68/58/259366858.db2.gz	UNTCLNNQNKGUIH-KBPBESRZSA-N	1	0	350.216	1.410	20	30		FDEDRO
C[C@@H]1[NH2+]CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H]1C	ZINC000333665514	259367872	/nfs/dbraw/zinc/36/78/72/259367872.db2.gz	XNTZLMPVVKBTIU-ZQIUZPCESA-N	1	0	355.442	1.051	20	30		FDEDRO
CN1C(=O)NCC12CC[NH+]([C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2	ZINC000333709023	259372051	/nfs/dbraw/zinc/37/20/51/259372051.db2.gz	ICJHSBXNQPWHAK-KRWDZBQOSA-N	1	0	367.453	1.543	20	30		FDEDRO
N#Cc1c(F)cccc1N1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1	ZINC000333893299	259390706	/nfs/dbraw/zinc/39/07/06/259390706.db2.gz	HKFPLMWEGIOAOE-ARFHVFGLSA-N	1	0	371.460	1.917	20	30		FDEDRO
N#Cc1ccc([N+](=O)[O-])c(N2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)c1	ZINC000364084553	259712747	/nfs/dbraw/zinc/71/27/47/259712747.db2.gz	VWLMFRLALNBTMJ-AWEZNQCLSA-N	1	0	364.427	1.212	20	30		FDEDRO
COC(=O)c1cc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1C	ZINC000367373015	260031827	/nfs/dbraw/zinc/03/18/27/260031827.db2.gz	WBJMOUBLWVXQOG-KRWDZBQOSA-N	1	0	366.421	1.574	20	30		FDEDRO
COC(=O)c1cc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1C	ZINC000367373016	260031948	/nfs/dbraw/zinc/03/19/48/260031948.db2.gz	WBJMOUBLWVXQOG-QGZVFWFLSA-N	1	0	366.421	1.574	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@@H](C4CC4)C3)CC2)o1	ZINC000367986892	260119682	/nfs/dbraw/zinc/11/96/82/260119682.db2.gz	CFTHQSYJWOJDPA-MRXNPFEDSA-N	1	0	357.458	1.625	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)CC2)nc1	ZINC000368943550	260264674	/nfs/dbraw/zinc/26/46/74/260264674.db2.gz	YHRBUJYMRNMUHL-INIZCTEOSA-N	1	0	368.485	1.706	20	30		FDEDRO
Cc1nc(C)n(C[C@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc(C#N)cc2)n1	ZINC000369283351	260333767	/nfs/dbraw/zinc/33/37/67/260333767.db2.gz	NDTLUDZTOLBMCC-QZTJIDSGSA-N	1	0	355.442	1.671	20	30		FDEDRO
COc1ccc(C[NH+]2CCC(NC(=O)c3cnn(C)c3)CC2)cc1C#N	ZINC000370864927	260617619	/nfs/dbraw/zinc/61/76/19/260617619.db2.gz	KFGBBWHRTQBIAV-UHFFFAOYSA-N	1	0	353.426	1.695	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H]3OCC(=O)N[C@H]3C2)cc1Cl	ZINC000373968071	261059242	/nfs/dbraw/zinc/05/92/42/261059242.db2.gz	JOLDXEGBTVRZJL-LSDHHAIUSA-N	1	0	362.817	1.130	20	30		FDEDRO
Cn1cc(C[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)c(-c2ccc(C#N)cc2)n1	ZINC000373968079	261059402	/nfs/dbraw/zinc/05/94/02/261059402.db2.gz	JPNBZQPSDMUQAL-IRXDYDNUSA-N	1	0	351.410	1.048	20	30		FDEDRO
CC(C)(O)C[N@@H+]1CCCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1	ZINC000374104387	261079137	/nfs/dbraw/zinc/07/91/37/261079137.db2.gz	FHKXPOCMVVTVPY-UHFFFAOYSA-N	1	0	367.453	1.663	20	30		FDEDRO
C[C@@]1(C2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)NC(=O)NC1=O	ZINC000374109558	261080190	/nfs/dbraw/zinc/08/01/90/261080190.db2.gz	VOOMOTCZEBUSNM-IBGZPJMESA-N	1	0	369.425	1.197	20	30		FDEDRO
C[C@H]1CN(C(=O)CCc2ccc(C#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000374296803	261106402	/nfs/dbraw/zinc/10/64/02/261106402.db2.gz	OWNRHBKAQWRDTJ-FXAWDEMLSA-N	1	0	354.498	1.975	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)[C@@H]2C1	ZINC000374892200	261220284	/nfs/dbraw/zinc/22/02/84/261220284.db2.gz	JGKLMNIMDBSOMM-CXAGYDPISA-N	1	0	350.426	1.492	20	30		FDEDRO
COc1ccc(C#N)cc1CN1CCN(CC[N@@H+]2CCCOCC2)CC1	ZINC000375336994	261316207	/nfs/dbraw/zinc/31/62/07/261316207.db2.gz	QCTZMMUEUJAADV-UHFFFAOYSA-N	1	0	358.486	1.407	20	30		FDEDRO
C[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)n1cnc(C#N)n1	ZINC000409595156	262128916	/nfs/dbraw/zinc/12/89/16/262128916.db2.gz	FGVBBLPNUVYICT-RDJZCZTQSA-N	1	0	352.442	1.882	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2CCN(C)C2=O)[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001087202127	782061981	/nfs/dbraw/zinc/06/19/81/782061981.db2.gz	QIDLRKYTBBZIAG-MNEFBYGVSA-N	1	0	368.481	1.753	20	30		FDEDRO
CC[NH+](CC)CCN(C(=O)C#Cc1ccccc1)[C@H]1CCS(=O)(=O)C1	ZINC000271077450	674306234	/nfs/dbraw/zinc/30/62/34/674306234.db2.gz	PRCLSJOBQJXLNS-SFHVURJKSA-N	1	0	362.495	1.396	20	30		FDEDRO
C=CCn1cc(CNC(=O)N2CC[NH2+]C[C@@H]2c2cccc(OC)c2)nn1	ZINC000892194464	782126805	/nfs/dbraw/zinc/12/68/05/782126805.db2.gz	WLVYGUHBLZXETB-QGZVFWFLSA-N	1	0	356.430	1.329	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc3c2O[C@@H](C)C(=O)N3)c1C#N	ZINC000536299100	490566892	/nfs/dbraw/zinc/56/68/92/490566892.db2.gz	AZGHWTAUBDDVQZ-JTQLQIEISA-N	1	0	368.397	1.405	20	30		FDEDRO
N#Cc1cc2c(nc1N[C@@H]1CCC[N@H+](CCN3CCOCC3)C1)CCOC2	ZINC000603422779	492031972	/nfs/dbraw/zinc/03/19/72/492031972.db2.gz	ISCVPXSEBADTKG-GOSISDBHSA-N	1	0	371.485	1.234	20	30		FDEDRO
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)Nc2nn(C)cc2C#N)CC1	ZINC000610563138	492252281	/nfs/dbraw/zinc/25/22/81/492252281.db2.gz	SXKQMOORCONQNU-HUUCEWRRSA-N	1	0	359.478	1.314	20	30		FDEDRO
C[N@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1cccc(C#N)c1	ZINC000026328962	519115947	/nfs/dbraw/zinc/11/59/47/519115947.db2.gz	PPKJNXAJWVQVDU-UHFFFAOYSA-N	1	0	372.450	1.666	20	30		FDEDRO
CCS(=O)(=O)N1CCC([NH2+]Cc2ccc(N(C)CCC#N)cc2)CC1	ZINC000030668073	519388079	/nfs/dbraw/zinc/38/80/79/519388079.db2.gz	XAKUHEDERDJFTM-UHFFFAOYSA-N	1	0	364.515	1.940	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCC[N@@H+](C)C(C)C	ZINC000041929420	519672685	/nfs/dbraw/zinc/67/26/85/519672685.db2.gz	QMFLUTZHISWZLG-UHFFFAOYSA-N	1	0	356.474	1.997	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCCC[N@@H+](C)C(C)C)c1	ZINC000042483081	519691954	/nfs/dbraw/zinc/69/19/54/519691954.db2.gz	RIWCKKMCLIRUQE-UHFFFAOYSA-N	1	0	353.488	1.611	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)CN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000069016997	521781636	/nfs/dbraw/zinc/78/16/36/521781636.db2.gz	UAXZDYWAWPJULH-OKZBNKHCSA-N	1	0	364.534	1.816	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1	ZINC000069122993	521811798	/nfs/dbraw/zinc/81/17/98/521811798.db2.gz	DTFPQEUDIOKPGK-SFHVURJKSA-N	1	0	371.485	1.193	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H](C)[N@H+](C)C2CC2)c1	ZINC000069129219	521815339	/nfs/dbraw/zinc/81/53/39/521815339.db2.gz	DQWJMIXUKMKOGA-ZDUSSCGKSA-N	1	0	351.472	1.363	20	30		FDEDRO
CC(C)C(=O)N1CCC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000069609158	521923309	/nfs/dbraw/zinc/92/33/09/521923309.db2.gz	DMVQBFZVZUPBCB-SFHVURJKSA-N	1	0	359.470	1.683	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)CN2CC[NH+](C[C@H]3CCCO3)CC2)cc1	ZINC000057942039	522190531	/nfs/dbraw/zinc/19/05/31/522190531.db2.gz	VDJGHUPNGHPOND-AZUAARDMSA-N	1	0	359.470	1.289	20	30		FDEDRO
CN(C)c1nc(C[N@H+](C)[C@@H]2CCN(c3ncccc3C#N)C2)cc(=O)[nH]1	ZINC000275854474	522333924	/nfs/dbraw/zinc/33/39/24/522333924.db2.gz	XCWNZIDJNSKSLY-OAHLLOKOSA-N	1	0	353.430	1.226	20	30		FDEDRO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1	ZINC000072829448	522395128	/nfs/dbraw/zinc/39/51/28/522395128.db2.gz	OZGDPYPAEPFSQA-DNUDUWDPSA-N	1	0	360.502	1.908	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@]3(CNC(=O)C3)C2)c(OC)c1	ZINC000072830226	522396708	/nfs/dbraw/zinc/39/67/08/522396708.db2.gz	UJOSARFZMJEKGN-LAUBAEHRSA-N	1	0	374.481	1.766	20	30		FDEDRO
C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C(=O)N(C)C	ZINC000046969752	522407143	/nfs/dbraw/zinc/40/71/43/522407143.db2.gz	BROBAXASHPIAOA-HNNXBMFYSA-N	1	0	357.458	1.252	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1	ZINC000047145091	522458000	/nfs/dbraw/zinc/45/80/00/522458000.db2.gz	RGAVYWRRPJDUMT-HNNXBMFYSA-N	1	0	365.499	1.755	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=[NH+]C)N2CCC(C(=O)OC)CC2)c1	ZINC000073626387	522568335	/nfs/dbraw/zinc/56/83/35/522568335.db2.gz	ICNUTTJMWAKWQH-UHFFFAOYSA-N	1	0	356.426	1.067	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)Cn1nc2ccccn2c1=O)C(C)C	ZINC000047633231	522575018	/nfs/dbraw/zinc/57/50/18/522575018.db2.gz	VHBNKVNRMRYRPT-INIZCTEOSA-N	1	0	357.458	1.311	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)c1	ZINC000047922840	522624068	/nfs/dbraw/zinc/62/40/68/522624068.db2.gz	TXYQEMSJKWAMCR-INIZCTEOSA-N	1	0	351.472	1.221	20	30		FDEDRO
C[C@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](CCCSCC#N)CC2)C1	ZINC000074981419	522864034	/nfs/dbraw/zinc/86/40/34/522864034.db2.gz	IHENKUKUQKKVPX-IRXDYDNUSA-N	1	0	352.548	1.755	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2CN2CCOCC2)cc1	ZINC000075889932	522988526	/nfs/dbraw/zinc/98/85/26/522988526.db2.gz	FKRWTEJQFIFTQJ-RTBURBONSA-N	1	0	359.470	1.289	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NCC[N@H+]1CCCC[C@@H]1C	ZINC000076239234	523053162	/nfs/dbraw/zinc/05/31/62/523053162.db2.gz	BBNHZQLDURZGQO-AWEZNQCLSA-N	1	0	361.417	1.767	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C1CC1	ZINC000076299494	523071674	/nfs/dbraw/zinc/07/16/74/523071674.db2.gz	NTJZLXNAZHMVCI-CQSZACIVSA-N	1	0	368.359	1.972	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000076306522	523073616	/nfs/dbraw/zinc/07/36/16/523073616.db2.gz	MISVRHTVIPWKFN-JTQLQIEISA-N	1	0	354.332	1.583	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)ccc2-n2cccn2)CC1	ZINC000076526053	523129750	/nfs/dbraw/zinc/12/97/50/523129750.db2.gz	LIGKUZWZCYKYJJ-UHFFFAOYSA-N	1	0	371.416	1.717	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2cccc(S(=O)(=O)NC)c2)CC1	ZINC000066748600	523189343	/nfs/dbraw/zinc/18/93/43/523189343.db2.gz	UZDPSAVRQJXMQT-AWEZNQCLSA-N	1	0	363.483	1.117	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@H](C)[NH+]1CCCC1	ZINC000052641523	523224504	/nfs/dbraw/zinc/22/45/04/523224504.db2.gz	GNXPQJVONWOXTQ-ZDUSSCGKSA-N	1	0	354.458	1.751	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)cc1	ZINC000052679760	523236658	/nfs/dbraw/zinc/23/66/58/523236658.db2.gz	KYLZSWZQFLVIGX-UHFFFAOYSA-N	1	0	372.469	1.389	20	30		FDEDRO
C=CCNC(=O)C[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1	ZINC000053019192	523327483	/nfs/dbraw/zinc/32/74/83/523327483.db2.gz	JYEOPHRGYRNLKZ-UHFFFAOYSA-N	1	0	351.834	1.998	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)CC1	ZINC000067233948	523363756	/nfs/dbraw/zinc/36/37/56/523363756.db2.gz	KHEIWNGRIQULTD-IBGZPJMESA-N	1	0	353.466	1.812	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)c1	ZINC000077784181	523466033	/nfs/dbraw/zinc/46/60/33/523466033.db2.gz	NOXCPDYKKJQLCG-UHFFFAOYSA-N	1	0	355.438	1.177	20	30		FDEDRO
C[C@@H]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC[N@@H+]1Cc1ccccc1	ZINC000078689623	523638962	/nfs/dbraw/zinc/63/89/62/523638962.db2.gz	AESKMKRFHYALOH-OAHLLOKOSA-N	1	0	367.453	1.056	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[NH+](CC(C)C)CC2)cc1	ZINC000055168377	523758906	/nfs/dbraw/zinc/75/89/06/523758906.db2.gz	MGIURKZQBTWEPM-UHFFFAOYSA-N	1	0	363.483	1.012	20	30		FDEDRO
CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000081556150	524148356	/nfs/dbraw/zinc/14/83/56/524148356.db2.gz	KIOMGEPHBIROOS-ZDUSSCGKSA-N	1	0	369.387	1.487	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)CC1	ZINC000121122996	524159923	/nfs/dbraw/zinc/15/99/23/524159923.db2.gz	WQYUCSBRDQASRE-CQSZACIVSA-N	1	0	371.445	1.403	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1	ZINC000121200526	524184144	/nfs/dbraw/zinc/18/41/44/524184144.db2.gz	MZQCYVMRYXHMOQ-UHFFFAOYSA-N	1	0	356.426	1.068	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCN(C(=O)C#Cc3ccc4c(c3)OCO4)CC2)CCO1	ZINC000136218332	524190930	/nfs/dbraw/zinc/19/09/30/524190930.db2.gz	CPNBXJQEOJQDNZ-OAHLLOKOSA-N	1	0	356.422	1.479	20	30		FDEDRO
C=CCNc1ncc(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)s1	ZINC000136245662	524191768	/nfs/dbraw/zinc/19/17/68/524191768.db2.gz	MVCNQGXRYKVTGV-CYBMUJFWSA-N	1	0	365.503	1.414	20	30		FDEDRO
CN(CCC#N)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-]	ZINC000121236880	524196217	/nfs/dbraw/zinc/19/62/17/524196217.db2.gz	CWNAJOGPGGTOIS-UHFFFAOYSA-N	1	0	369.447	1.175	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)C#Cc3ccc4c(c3)OCO4)C2)CC1	ZINC000136843559	524216607	/nfs/dbraw/zinc/21/66/07/524216607.db2.gz	PNHJOLMCDAWBKH-QGZVFWFLSA-N	1	0	355.438	1.005	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(C(=O)NCc2ccc(OCC#N)cc2)CC1	ZINC000172620486	524249020	/nfs/dbraw/zinc/24/90/20/524249020.db2.gz	ZPKYNQARBWNUQW-UHFFFAOYSA-N	1	0	360.458	1.577	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2CC)c1	ZINC000111353405	524271589	/nfs/dbraw/zinc/27/15/89/524271589.db2.gz	TVRRZTKRIKZNRY-INIZCTEOSA-N	1	0	365.499	1.755	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)N[C@@H]1C[C@@H]1C	ZINC000083880459	524278928	/nfs/dbraw/zinc/27/89/28/524278928.db2.gz	XABVAQLWKQWJLP-WMLDXEAASA-N	1	0	364.515	1.935	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1	ZINC000173050011	524313155	/nfs/dbraw/zinc/31/31/55/524313155.db2.gz	AKKJLOPEDIGQDM-CQSZACIVSA-N	1	0	367.515	1.857	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2ccc(C#N)[nH]2)CC1	ZINC000157676377	524319818	/nfs/dbraw/zinc/31/98/18/524319818.db2.gz	KNRUMIBIUAIHSZ-UHFFFAOYSA-N	1	0	351.454	1.954	20	30		FDEDRO
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Cc1ccc(OCC#N)cc1	ZINC000111661222	524320295	/nfs/dbraw/zinc/32/02/95/524320295.db2.gz	SKBBZWZQNGZEFU-UHFFFAOYSA-N	1	0	358.486	1.616	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)Nc2ccn(CCC#N)n2)CC1	ZINC000173362970	524372972	/nfs/dbraw/zinc/37/29/72/524372972.db2.gz	PLVLPDQAMRNWEY-CALCHBBNSA-N	1	0	373.505	1.819	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)C1CCCCC1	ZINC000086446559	524388427	/nfs/dbraw/zinc/38/84/27/524388427.db2.gz	BTSYDDAXGZGJJP-HNNXBMFYSA-N	1	0	360.462	1.362	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1	ZINC000121862611	524389000	/nfs/dbraw/zinc/38/90/00/524389000.db2.gz	RHPKPJQRUGEXCC-INIZCTEOSA-N	1	0	374.533	1.346	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)CC1	ZINC000173579471	524420012	/nfs/dbraw/zinc/42/00/12/524420012.db2.gz	OWLIRHJYPBXKDQ-KRWDZBQOSA-N	1	0	356.470	1.700	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1	ZINC000112219086	524428328	/nfs/dbraw/zinc/42/83/28/524428328.db2.gz	JTRHDOWYRGHVLI-INIZCTEOSA-N	1	0	356.426	1.068	20	30		FDEDRO
COc1ccc(F)c(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1	ZINC000122121421	524456028	/nfs/dbraw/zinc/45/60/28/524456028.db2.gz	DRSLZIRVBIACGR-UHFFFAOYSA-N	1	0	350.394	1.467	20	30		FDEDRO
C[NH+]=C(NCC[S@](=O)C(C)(C)C)N1CCN(c2ccccc2)CC1	ZINC000088634926	524461650	/nfs/dbraw/zinc/46/16/50/524461650.db2.gz	XEFICMHQOVQZKB-XMMPIXPASA-N	1	0	350.532	1.931	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(c2nnc3ccccn32)CC1	ZINC000112337539	524461963	/nfs/dbraw/zinc/46/19/63/524461963.db2.gz	FQXDTJXLHQRWGV-OAHLLOKOSA-N	1	0	354.458	1.917	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCc3nc(COC)nn3C2)CC1	ZINC000150745863	524482278	/nfs/dbraw/zinc/48/22/78/524482278.db2.gz	XTPPENYRBABOBU-HNNXBMFYSA-N	1	0	362.478	1.079	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC1	ZINC000122355222	524515006	/nfs/dbraw/zinc/51/50/06/524515006.db2.gz	WAIOFBIVGAUBLT-DLBZAZTESA-N	1	0	358.486	1.715	20	30		FDEDRO
COCc1ccc(CNC(=O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)cc1	ZINC000089943844	524556773	/nfs/dbraw/zinc/55/67/73/524556773.db2.gz	BYGKLXJNTBFMIB-UHFFFAOYSA-N	1	0	370.457	1.191	20	30		FDEDRO
C[C@@H](c1nc(-c2cccnc2)no1)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000089943433	524557251	/nfs/dbraw/zinc/55/72/51/524557251.db2.gz	WNWCBGGISWUVRC-NSHDSACASA-N	1	0	352.402	1.934	20	30		FDEDRO
O=C(NCC[NH2+]C1CCN(Cc2ccccc2)CC1)C1N=CC=CC1=O	ZINC000174392698	524561806	/nfs/dbraw/zinc/56/18/06/524561806.db2.gz	BABWSGMACXPSOG-VXPUYCOJSA-N	1	0	354.454	1.767	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)COc2ccc(C#N)cc2OC)CC1	ZINC000112922699	524600987	/nfs/dbraw/zinc/60/09/87/524600987.db2.gz	NENGQQBQTUGGBC-MRXNPFEDSA-N	1	0	374.485	1.335	20	30		FDEDRO
C[C@@H]1C[C@H](N(C)C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC[N@@H+]1C	ZINC000122742415	524606907	/nfs/dbraw/zinc/60/69/07/524606907.db2.gz	OHXRIZIKMZWCBS-RHSMWYFYSA-N	1	0	363.483	1.414	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCC[NH+]1CCCCC1	ZINC000174597739	524640824	/nfs/dbraw/zinc/64/08/24/524640824.db2.gz	NNBTXTATHJKWRJ-UHFFFAOYSA-N	1	0	361.417	1.768	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1cn(C)nc1CC)C(C)C	ZINC000091194445	524657359	/nfs/dbraw/zinc/65/73/59/524657359.db2.gz	BCDQYFLWSJLHAL-QGZVFWFLSA-N	1	0	361.490	1.736	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)n1	ZINC000091208904	524663027	/nfs/dbraw/zinc/66/30/27/524663027.db2.gz	RZEXGJSJHQYFSW-IFXJQAMLSA-N	1	0	374.489	1.901	20	30		FDEDRO
C[C@H](CC#N)NC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1	ZINC000123250170	524713178	/nfs/dbraw/zinc/71/31/78/524713178.db2.gz	OTNKFIIKVLULER-CQSZACIVSA-N	1	0	357.458	1.574	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)NC[C@H]2CCC[NH2+]C2)c1	ZINC000123369692	524738687	/nfs/dbraw/zinc/73/86/87/524738687.db2.gz	REONZIIORSNABU-JTQLQIEISA-N	1	0	358.261	1.599	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)CC1	ZINC000091621994	524743937	/nfs/dbraw/zinc/74/39/37/524743937.db2.gz	JIXAPYDFJOFSGI-DLBZAZTESA-N	1	0	358.490	1.281	20	30		FDEDRO
N#CCCn1ccc(NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)n1	ZINC000174823220	524750136	/nfs/dbraw/zinc/75/01/36/524750136.db2.gz	WVCSAYKOBMPORB-UHFFFAOYSA-N	1	0	360.462	1.905	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2c(C)c[nH]c2=O)cc1	ZINC000159882199	524760113	/nfs/dbraw/zinc/76/01/13/524760113.db2.gz	PTZQADZENWVBLM-KBPBESRZSA-N	1	0	371.441	1.525	20	30		FDEDRO
CN1CCN([C@H]2CCCC[N@H+](CCC(=O)Nc3ccccc3C#N)C2)CC1	ZINC000174877149	524772049	/nfs/dbraw/zinc/77/20/49/524772049.db2.gz	VIIKJQYMMVZPOL-IBGZPJMESA-N	1	0	369.513	1.989	20	30		FDEDRO
CSc1nc(C2CC2)cc(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)c1C#N	ZINC000114385575	524784753	/nfs/dbraw/zinc/78/47/53/524784753.db2.gz	JXVROACTXRNWOI-CYBMUJFWSA-N	1	0	373.526	1.918	20	30		FDEDRO
C#CCCOc1ccc(C[NH+]2CCC(C(=O)NCC(=O)OCC)CC2)cc1	ZINC000092064593	524838582	/nfs/dbraw/zinc/83/85/82/524838582.db2.gz	RKROTSOIWZONRU-UHFFFAOYSA-N	1	0	372.465	1.980	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CCO1	ZINC000092604842	524897991	/nfs/dbraw/zinc/89/79/91/524897991.db2.gz	UKXXQHMBLUABAK-QGZVFWFLSA-N	1	0	356.426	1.014	20	30		FDEDRO
COC(=O)c1ccc(N2CC[N@H+](CCC(=O)N(C)CCC#N)[C@H](C)C2)cc1	ZINC000092795394	524917589	/nfs/dbraw/zinc/91/75/89/524917589.db2.gz	JKKUERKFFSGIPW-MRXNPFEDSA-N	1	0	372.469	1.746	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1	ZINC000092793857	524917892	/nfs/dbraw/zinc/91/78/92/524917892.db2.gz	RDEYYRGVVBQTQV-UHFFFAOYSA-N	1	0	360.433	1.736	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+](C)C2(C(N)=O)CCCC2)c(OC)c1	ZINC000093212514	524969442	/nfs/dbraw/zinc/96/94/42/524969442.db2.gz	HOHNSDJBKWAKEN-MRXNPFEDSA-N	1	0	362.470	1.893	20	30		FDEDRO
CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccc(C#N)nc1	ZINC000115346042	524971333	/nfs/dbraw/zinc/97/13/33/524971333.db2.gz	UXYAUIRUIJMJLP-KRWDZBQOSA-N	1	0	358.442	1.833	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2cccc(S(=O)(=O)NC)c2C)CC1	ZINC000093331664	524980176	/nfs/dbraw/zinc/98/01/76/524980176.db2.gz	HTSBAMMVESTCDO-UHFFFAOYSA-N	1	0	366.487	1.675	20	30		FDEDRO
N#Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cn1	ZINC000115385378	524980975	/nfs/dbraw/zinc/98/09/75/524980975.db2.gz	ORBAYZRVWUUEBE-UHFFFAOYSA-N	1	0	350.422	1.840	20	30		FDEDRO
N#Cc1ccc([C@@H]([NH2+]CCCNC(=O)c2cccc(F)c2)C(N)=O)cc1	ZINC000115599972	525033333	/nfs/dbraw/zinc/03/33/33/525033333.db2.gz	BZYULEGNPJVHHS-QGZVFWFLSA-N	1	0	354.385	1.633	20	30		FDEDRO
N#CCCn1ccc(NC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)n1	ZINC000124699530	525055234	/nfs/dbraw/zinc/05/52/34/525055234.db2.gz	XLSVHZCXUGIBJG-OAHLLOKOSA-N	1	0	358.446	1.212	20	30		FDEDRO
CC[NH+]=C(NCc1c(C)nn(C)c1C)N[C@@H]1CCc2nnc(C(C)C)n2C1	ZINC000176157775	525059406	/nfs/dbraw/zinc/05/94/06/525059406.db2.gz	LNALELLFFQVWIY-OAHLLOKOSA-N	1	0	372.521	1.822	20	30		FDEDRO
CC1CC[NH+](C[C@H](O)CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1	ZINC000125277176	525183261	/nfs/dbraw/zinc/18/32/61/525183261.db2.gz	HNQWKEZTHPEKDK-QGZVFWFLSA-N	1	0	359.470	1.925	20	30		FDEDRO
CC[NH+]=C(NC[C@H](O)c1ccc(F)cc1)N[C@H]1CCc2nc(C)nn2C1	ZINC000153382975	525196985	/nfs/dbraw/zinc/19/69/85/525196985.db2.gz	TVVAARNWYPJHPD-HOTGVXAUSA-N	1	0	360.437	1.329	20	30		FDEDRO
N#CC1(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CCOCC1	ZINC000116766215	525206013	/nfs/dbraw/zinc/20/60/13/525206013.db2.gz	LHXUMOJIYFRFTP-UHFFFAOYSA-N	1	0	356.470	1.778	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)NC2CC[NH+](CCOC(C)C)CC2)c1C#N	ZINC000177106098	525240599	/nfs/dbraw/zinc/24/05/99/525240599.db2.gz	XNAGWKOJJNWVBS-UHFFFAOYSA-N	1	0	372.469	1.811	20	30		FDEDRO
C[NH+]=C(NCCOc1ccc(F)c(F)c1)N[C@H]1CCc2ncnn2C1	ZINC000126079112	525271993	/nfs/dbraw/zinc/27/19/93/525271993.db2.gz	QVZUACATNWFEJK-NSHDSACASA-N	1	0	350.373	1.115	20	30		FDEDRO
C=CC[C@@H](C)NC(=O)C(=O)Nc1cccc(C(=O)NCC[NH+](CC)CC)c1	ZINC000117076732	525284703	/nfs/dbraw/zinc/28/47/03/525284703.db2.gz	NZVYQAATQPOXES-OAHLLOKOSA-N	1	0	374.485	1.778	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1	ZINC000177578656	525313604	/nfs/dbraw/zinc/31/36/04/525313604.db2.gz	GPNQDCUVHPMAQB-HZPDHXFCSA-N	1	0	365.499	1.754	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(-n3ccnn3)c2)CC1	ZINC000126592898	525330987	/nfs/dbraw/zinc/33/09/87/525330987.db2.gz	NCBBJMKFKCUDPF-UHFFFAOYSA-N	1	0	368.441	1.363	20	30		FDEDRO
C[NH+](C)CCNC(=O)Cn1cc(NC(=O)Nc2ccc(F)cc2C#N)cn1	ZINC000177930161	525360746	/nfs/dbraw/zinc/36/07/46/525360746.db2.gz	PRTGNIMKAIRYJP-UHFFFAOYSA-N	1	0	373.392	1.216	20	30		FDEDRO
C=CCC[C@@H](CC)[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1	ZINC000127179016	525391747	/nfs/dbraw/zinc/39/17/47/525391747.db2.gz	LMMXXWGUFKCXCE-QGZVFWFLSA-N	1	0	366.531	1.868	20	30		FDEDRO
C[C@@H](NC(=[NH2+])NCCCNS(C)(=O)=O)c1ccc(Cl)cc1Cl	ZINC000104171409	525398744	/nfs/dbraw/zinc/39/87/44/525398744.db2.gz	LLMGGFNOVOAHBA-SECBINFHSA-N	1	0	367.302	1.898	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000178414497	525423213	/nfs/dbraw/zinc/42/32/13/525423213.db2.gz	LNVUCXMCFTUMHU-KBPBESRZSA-N	1	0	358.442	1.421	20	30		FDEDRO
CCCC[N@H+](C)CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000127469644	525426654	/nfs/dbraw/zinc/42/66/54/525426654.db2.gz	RPNMHYOXLAUSFF-CQSZACIVSA-N	1	0	366.487	1.073	20	30		FDEDRO
C#CCCN1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1	ZINC000104866366	525445191	/nfs/dbraw/zinc/44/51/91/525445191.db2.gz	OKRMTESPQUZISW-HXUWFJFHSA-N	1	0	355.482	1.352	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)COc2ccccc2[N+](=O)[O-])c1C#N	ZINC000128134328	525508603	/nfs/dbraw/zinc/50/86/03/525508603.db2.gz	QKSFLOSRFYANQP-UHFFFAOYSA-N	1	0	358.358	1.359	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cncc(Br)c2)c1C#N	ZINC000128176913	525511737	/nfs/dbraw/zinc/51/17/37/525511737.db2.gz	RTXABVBHBTUBHE-UHFFFAOYSA-N	1	0	363.219	1.843	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CCn2c3ccccc3c(=O)[nH]c2=O)CC1	ZINC000106038155	525554418	/nfs/dbraw/zinc/55/44/18/525554418.db2.gz	DZJNTFIGPINNBA-UHFFFAOYSA-N	1	0	370.453	1.237	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN([C@@H](C)C(=O)Nc3cccc(C#N)c3)C2)CC1	ZINC000118835117	525557304	/nfs/dbraw/zinc/55/73/04/525557304.db2.gz	CSCOUWPOJVKXMO-QFBILLFUSA-N	1	0	355.486	1.597	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)C1	ZINC000118898399	525580279	/nfs/dbraw/zinc/58/02/79/525580279.db2.gz	GKRJGDOKRQQKQC-HNNXBMFYSA-N	1	0	358.442	1.742	20	30		FDEDRO
C[C@@H](O)C[N@@H+]1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)C[C@@H]1C	ZINC000106099559	525582767	/nfs/dbraw/zinc/58/27/67/525582767.db2.gz	FUMCMVLOQINDOG-QWHCGFSZSA-N	1	0	350.850	1.537	20	30		FDEDRO
Cn1ccnc1CC1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000106164920	525646051	/nfs/dbraw/zinc/64/60/51/525646051.db2.gz	RSHJHTGNPQIHFJ-SFHVURJKSA-N	1	0	354.454	1.986	20	30		FDEDRO
CC(C)[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)C(=O)N1CCOCC1	ZINC000180060248	525655687	/nfs/dbraw/zinc/65/56/87/525655687.db2.gz	FUTVHLAYZXNAEM-HNNXBMFYSA-N	1	0	364.471	1.421	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(S(N)(=O)=O)s2)CC1	ZINC000106255979	525684586	/nfs/dbraw/zinc/68/45/86/525684586.db2.gz	OLSJWIJSQNGPJH-UHFFFAOYSA-N	1	0	372.516	1.235	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCC(=O)N2CCc3ccccc32)CC1	ZINC000106269381	525686821	/nfs/dbraw/zinc/68/68/21/525686821.db2.gz	IVMLGKOBPMUKFJ-UHFFFAOYSA-N	1	0	356.470	1.915	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(C(N)=O)ccc2C)CC1	ZINC000106349103	525698714	/nfs/dbraw/zinc/69/87/14/525698714.db2.gz	LPSMLPWXIGBWEQ-UHFFFAOYSA-N	1	0	358.442	1.189	20	30		FDEDRO
C[C@@H]1CN(C[C@H](O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)C[C@@H](C)O1	ZINC000106386227	525708484	/nfs/dbraw/zinc/70/84/84/525708484.db2.gz	IXVGCFIMFOGDAA-ZHALLVOQSA-N	1	0	373.497	1.872	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2c[nH]nc2-c2ccccc2)CC1	ZINC000180583752	525726491	/nfs/dbraw/zinc/72/64/91/525726491.db2.gz	HXAAFPJZAJOWNL-UHFFFAOYSA-N	1	0	353.426	1.782	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21	ZINC000119464076	525755845	/nfs/dbraw/zinc/75/58/45/525755845.db2.gz	UUGRFYTYSABQPH-MAUKXSAKSA-N	1	0	356.470	1.739	20	30		FDEDRO
CC(C)NS(=O)(=O)CCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1	ZINC000170913053	525767616	/nfs/dbraw/zinc/76/76/16/525767616.db2.gz	BACOKRCLTXKFAV-UHFFFAOYSA-N	1	0	368.381	1.640	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)CC1	ZINC000180901793	525772539	/nfs/dbraw/zinc/77/25/39/525772539.db2.gz	OCQOBECXWZZCHO-AWEZNQCLSA-N	1	0	361.392	1.532	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1	ZINC000119642000	525815336	/nfs/dbraw/zinc/81/53/36/525815336.db2.gz	KNWLAZNETMEQCP-NHJHPMQKSA-N	1	0	361.534	1.284	20	30		FDEDRO
C=C(C)C[N@@H+](C)CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1	ZINC000181259985	525827389	/nfs/dbraw/zinc/82/73/89/525827389.db2.gz	NFTQUNJDJUGNFD-UHFFFAOYSA-N	1	0	362.449	1.416	20	30		FDEDRO
C=C(C)C[N@H+](C)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000181310402	525837938	/nfs/dbraw/zinc/83/79/38/525837938.db2.gz	JLSZGYUXASUCSJ-UHFFFAOYSA-N	1	0	354.472	1.594	20	30		FDEDRO
C=C(C)C[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000181327586	525840247	/nfs/dbraw/zinc/84/02/47/525840247.db2.gz	JYZHYMFYVZQKIG-UHFFFAOYSA-N	1	0	369.462	1.167	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000181670507	525887201	/nfs/dbraw/zinc/88/72/01/525887201.db2.gz	FLOXALUQSPKWNN-KBPBESRZSA-N	1	0	356.426	1.516	20	30		FDEDRO
CC[C@@H]([NH2+]CCC(=O)N(C)CCC#N)c1cccc(S(N)(=O)=O)c1	ZINC000181749352	525917509	/nfs/dbraw/zinc/91/75/09/525917509.db2.gz	PVIKINBDDXZLOP-OAHLLOKOSA-N	1	0	352.460	1.137	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000171280101	525928621	/nfs/dbraw/zinc/92/86/21/525928621.db2.gz	XXWXQXAEPSWFCK-CYBMUJFWSA-N	1	0	357.863	1.601	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000171305242	525939048	/nfs/dbraw/zinc/93/90/48/525939048.db2.gz	PUKFHKZNQUEADC-XHSDSOJGSA-N	1	0	366.506	1.208	20	30		FDEDRO
CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)C1	ZINC000181882871	525967667	/nfs/dbraw/zinc/96/76/67/525967667.db2.gz	ISJAEYFNWXMOFT-LSDHHAIUSA-N	1	0	358.442	1.716	20	30		FDEDRO
C=CCN(C(=O)CCn1c(C)nc2ccccc21)[C@@H]1CCS(=O)(=O)C1	ZINC000132583235	525976237	/nfs/dbraw/zinc/97/62/37/525976237.db2.gz	KQVUNDVRKLNZJI-OAHLLOKOSA-N	1	0	361.467	1.937	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)c1	ZINC000108605328	526002031	/nfs/dbraw/zinc/00/20/31/526002031.db2.gz	QAQKBSRCLCZSBU-UHFFFAOYSA-N	1	0	357.454	1.875	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2c(C)[nH]c(C(=O)OC)c2C)c1C#N	ZINC000133525912	526068649	/nfs/dbraw/zinc/06/86/49/526068649.db2.gz	NFAMZJXCQBZFDO-UHFFFAOYSA-N	1	0	358.402	1.417	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2cccc(CC#N)c2)cc1	ZINC000171672906	526072175	/nfs/dbraw/zinc/07/21/75/526072175.db2.gz	QRESMEGIRXRQID-UHFFFAOYSA-N	1	0	364.449	1.974	20	30		FDEDRO
C=C[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1	ZINC000133713114	526084709	/nfs/dbraw/zinc/08/47/09/526084709.db2.gz	ILJLYCUDIGBJIH-YOEHRIQHSA-N	1	0	372.469	1.482	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@@H+]1CCCC[C@@H]1CCNS(C)(=O)=O	ZINC000156235883	526087405	/nfs/dbraw/zinc/08/74/05/526087405.db2.gz	BZSOEMBRBZVEFJ-MRXNPFEDSA-N	1	0	351.472	1.861	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)CC1	ZINC000171727199	526095480	/nfs/dbraw/zinc/09/54/80/526095480.db2.gz	BDPJLNPCEYSTIJ-KUHUBIRLSA-N	1	0	362.474	1.254	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H](C)NC(=O)/C=C/c2ccc(OC)cc2)CC1	ZINC000171726387	526096570	/nfs/dbraw/zinc/09/65/70/526096570.db2.gz	JQZWVNKUFGKARR-JCVNQNCUSA-N	1	0	371.481	1.980	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCc3nccn3C(F)F)=[NH+]C[C@H]2C1	ZINC000133936849	526107474	/nfs/dbraw/zinc/10/74/74/526107474.db2.gz	HHFXACWJBKZSCI-NSHDSACASA-N	1	0	370.404	1.659	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C)c2ccc3c(c2)OCO3)CC1	ZINC000182287058	526123225	/nfs/dbraw/zinc/12/32/25/526123225.db2.gz	IJHBNBAAJGRGJO-WBVHZDCISA-N	1	0	372.469	1.758	20	30		FDEDRO
C[NH+](C)CCNC(=O)Cn1cc(NC(=O)Nc2cccc(C#N)c2)cn1	ZINC000156388859	526123490	/nfs/dbraw/zinc/12/34/90/526123490.db2.gz	NBQJZWDMOFZAPH-UHFFFAOYSA-N	1	0	355.402	1.077	20	30		FDEDRO
Cc1cc(N2CC[NH+](C)CC2)ccc1NS(=O)(=O)c1ccc(C#N)nc1	ZINC000109423420	526124235	/nfs/dbraw/zinc/12/42/35/526124235.db2.gz	DCZDCKHJKKMDAM-UHFFFAOYSA-N	1	0	371.466	1.814	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N(CC)CC(=O)Nc1c(F)cccc1F	ZINC000134135982	526128186	/nfs/dbraw/zinc/12/81/86/526128186.db2.gz	PUYIDUJUKYCPPW-NSHDSACASA-N	1	0	368.384	1.626	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C1CC1	ZINC000134138714	526128576	/nfs/dbraw/zinc/12/85/76/526128576.db2.gz	XGWZIJHYORQDHZ-KRWDZBQOSA-N	1	0	363.483	1.834	20	30		FDEDRO
O=C(C#Cc1ccc2c(c1)OCO2)NC1CC[NH+](Cc2ccccn2)CC1	ZINC000134372425	526149483	/nfs/dbraw/zinc/14/94/83/526149483.db2.gz	ZSAKARRNWMVQRE-UHFFFAOYSA-N	1	0	363.417	1.943	20	30		FDEDRO
CCC1CC(=O)C(=CN/[NH+]=C2\N=C3C(=CNN3C(C)(C)C)CN2)C(=O)C1	ZINC000171880069	526164150	/nfs/dbraw/zinc/16/41/50/526164150.db2.gz	IRCKSMIOTOVFST-UHFFFAOYSA-N	1	0	358.446	1.193	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1	ZINC000109753043	526173832	/nfs/dbraw/zinc/17/38/32/526173832.db2.gz	ODMBFFKSIFWYKK-PXNSSMCTSA-N	1	0	369.513	1.987	20	30		FDEDRO
C[NH+](C)CCOc1cccc(CNC(=O)C(=O)Nc2ccc(C#N)cc2)c1	ZINC000120787340	526181573	/nfs/dbraw/zinc/18/15/73/526181573.db2.gz	NKEOCUVPNITQOX-UHFFFAOYSA-N	1	0	366.421	1.754	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(CCC(=O)N(CC)CC)CC1	ZINC000182555057	526205887	/nfs/dbraw/zinc/20/58/87/526205887.db2.gz	UCPGZRDQRRMYGH-HNNXBMFYSA-N	1	0	366.506	1.747	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)CC(C)(C)O	ZINC000183179221	535936073	/nfs/dbraw/zinc/93/60/73/535936073.db2.gz	YXDFKNKTTXJJKJ-CQSZACIVSA-N	1	0	350.488	1.160	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)CC(C)(C)O	ZINC000183179273	535936251	/nfs/dbraw/zinc/93/62/51/535936251.db2.gz	RTINZFZPJDQKRV-QGZVFWFLSA-N	1	0	362.449	1.237	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1	ZINC000184308333	536130441	/nfs/dbraw/zinc/13/04/41/536130441.db2.gz	JRBRUPDIGZEPIF-MRXNPFEDSA-N	1	0	357.454	1.874	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)CSCc1ccc(C#N)cc1	ZINC000184343927	536137651	/nfs/dbraw/zinc/13/76/51/536137651.db2.gz	BIVRNNZEFNZTIT-MRXNPFEDSA-N	1	0	360.527	1.934	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1	ZINC000184373287	536140539	/nfs/dbraw/zinc/14/05/39/536140539.db2.gz	NFJGCQZPMKPGPF-INIZCTEOSA-N	1	0	374.533	1.488	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NCCC1CC[NH+](CC)CC1	ZINC000184702186	536176834	/nfs/dbraw/zinc/17/68/34/536176834.db2.gz	ZLMZNWXVDIODIE-UHFFFAOYSA-N	1	0	357.454	1.875	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1F	ZINC000185098384	536198537	/nfs/dbraw/zinc/19/85/37/536198537.db2.gz	FBTSJKWSTOELMK-GZBFAFLISA-N	1	0	367.446	1.099	20	30		FDEDRO
C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)N1CCN(C)CC1	ZINC000185581172	536212632	/nfs/dbraw/zinc/21/26/32/536212632.db2.gz	ODDZCIDSTKZGAA-KRWDZBQOSA-N	1	0	357.502	1.084	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)cc1	ZINC000186529698	536236524	/nfs/dbraw/zinc/23/65/24/536236524.db2.gz	VEGIKSTXRSRFNW-OAHLLOKOSA-N	1	0	363.483	1.508	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C	ZINC000187365718	536263605	/nfs/dbraw/zinc/26/36/05/536263605.db2.gz	JBNATCGAVGXBLF-MRXNPFEDSA-N	1	0	357.454	1.970	20	30		FDEDRO
C[NH+]=C(NCc1cnc(N(C)C)n1C)N[C@@H]1CCN(c2ccccc2)C1	ZINC000262802337	536906022	/nfs/dbraw/zinc/90/60/22/536906022.db2.gz	RDFCAWNCYBHXJF-OAHLLOKOSA-N	1	0	355.490	1.430	20	30		FDEDRO
C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000262817737	536910130	/nfs/dbraw/zinc/91/01/30/536910130.db2.gz	ZVPWFKHHCPVZON-TVQRCGJNSA-N	1	0	358.261	1.597	20	30		FDEDRO
Cc1sc(NC(=O)CN2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c(C#N)c1C	ZINC000246441737	536955457	/nfs/dbraw/zinc/95/54/57/536955457.db2.gz	UNIKYBSNWJHOIS-NWDGAFQWSA-N	1	0	350.488	1.562	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCc2ccc(C#N)cc2)CC1=O	ZINC000246504233	536968508	/nfs/dbraw/zinc/96/85/08/536968508.db2.gz	UEFJUJDFHJQSMA-ROUUACIJSA-N	1	0	354.454	1.507	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](N3CCC[C@@H](C[NH+]4CCOCC4)C3)C2=O)cc1	ZINC000246603674	536989563	/nfs/dbraw/zinc/98/95/63/536989563.db2.gz	KUPSAPMQEJGICS-ICSRJNTNSA-N	1	0	368.481	1.708	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2ccc(F)c(C#N)c2)CC1	ZINC000189119385	537000484	/nfs/dbraw/zinc/00/04/84/537000484.db2.gz	QKVHLRLKJCILAV-ZDUSSCGKSA-N	1	0	354.451	1.002	20	30		FDEDRO
C[NH+]=C(NC[C@H](c1ccco1)N1CCCCC1)N1CCN(C(C)=O)CC1	ZINC000263258036	537003119	/nfs/dbraw/zinc/00/31/19/537003119.db2.gz	RMQMGHXCTAVPSF-QGZVFWFLSA-N	1	0	361.490	1.546	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN([C@H]3CCN(c4sccc4C#N)C3=O)C2)CC1	ZINC000246746497	537017973	/nfs/dbraw/zinc/01/79/73/537017973.db2.gz	XDLADULGNXUPOI-SJORKVTESA-N	1	0	373.526	1.437	20	30		FDEDRO
CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000246775778	537023904	/nfs/dbraw/zinc/02/39/04/537023904.db2.gz	CGBMORMWUFEOGG-HUUCEWRRSA-N	1	0	359.478	1.299	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1c[nH]nc1-c1ccccc1	ZINC000189999408	537125105	/nfs/dbraw/zinc/12/51/05/537125105.db2.gz	OFYVCPHWOKSTHN-UHFFFAOYSA-N	1	0	368.441	1.709	20	30		FDEDRO
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)n1	ZINC000190033391	537129843	/nfs/dbraw/zinc/12/98/43/537129843.db2.gz	RZVFCWHMCHUOAJ-OAHLLOKOSA-N	1	0	372.473	1.535	20	30		FDEDRO
COc1ccccc1[C@@H](CNC(=O)N1CCO[C@@H](C#N)C1)[NH+]1CCCC1	ZINC000264422489	537144475	/nfs/dbraw/zinc/14/44/75/537144475.db2.gz	UWHCATJDTCZFEA-DOTOQJQBSA-N	1	0	358.442	1.766	20	30		FDEDRO
C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1ccc(OCC(=O)NC2CC2)cc1	ZINC000264873877	537149012	/nfs/dbraw/zinc/14/90/12/537149012.db2.gz	PHKARXGXMVYCAD-CABCVRRESA-N	1	0	372.469	1.755	20	30		FDEDRO
COc1cccc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)c1OC(F)F	ZINC000264934487	537150312	/nfs/dbraw/zinc/15/03/12/537150312.db2.gz	BZRCKMLYQOYPQT-PEZBUJJGSA-N	1	0	367.352	1.913	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H](CCSC)NC(N)=O)C(C)C	ZINC000264947846	537150562	/nfs/dbraw/zinc/15/05/62/537150562.db2.gz	XKXSNXDRSMVSOB-HUUCEWRRSA-N	1	0	356.536	1.591	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)NCCN1C(=O)CCC1=O)C(C)C	ZINC000265134702	537151331	/nfs/dbraw/zinc/15/13/31/537151331.db2.gz	ZTEYLYCOMQOUHW-HNNXBMFYSA-N	1	0	350.463	1.133	20	30		FDEDRO
CN(CCC[NH+](C)C)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000190289374	537161777	/nfs/dbraw/zinc/16/17/77/537161777.db2.gz	UKDGIUDWNCWNEG-KRWDZBQOSA-N	1	0	357.458	1.252	20	30		FDEDRO
C[NH+](C)CC(C)(C)CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000248102334	537166176	/nfs/dbraw/zinc/16/61/76/537166176.db2.gz	HUTLSCGCUOHEDS-UHFFFAOYSA-N	1	0	366.487	1.196	20	30		FDEDRO
C#CCN(CC#C)C(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1	ZINC000190421404	537172801	/nfs/dbraw/zinc/17/28/01/537172801.db2.gz	BFLDYCIGSKUCDH-UHFFFAOYSA-N	1	0	366.465	1.251	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2ccc(Cl)cc2C#N)CC1	ZINC000190908173	537190874	/nfs/dbraw/zinc/19/08/74/537190874.db2.gz	SYHUHGKIRGBCHL-CYBMUJFWSA-N	1	0	370.906	1.516	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2ccc(F)cc2C#N)CC1	ZINC000190909335	537190967	/nfs/dbraw/zinc/19/09/67/537190967.db2.gz	IHTBABBADOXNAQ-CYBMUJFWSA-N	1	0	354.451	1.002	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C[C@H]1CO	ZINC000190927248	537191246	/nfs/dbraw/zinc/19/12/46/537191246.db2.gz	VYPQEHXIKKQNRQ-AYBZRNKSSA-N	1	0	374.460	1.095	20	30		FDEDRO
CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc(F)c(C#N)c2)CC1	ZINC000266232281	537192715	/nfs/dbraw/zinc/19/27/15/537192715.db2.gz	URJVHPBBIUXYNT-AWEZNQCLSA-N	1	0	368.478	1.249	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C#N)cc2OC)[C@@H](C)C1	ZINC000248644140	537200155	/nfs/dbraw/zinc/20/01/55/537200155.db2.gz	NTUGNOSWPRPNES-ZFWWWQNUSA-N	1	0	351.472	1.918	20	30		FDEDRO
C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000248689893	537206365	/nfs/dbraw/zinc/20/63/65/537206365.db2.gz	XRZIZKPMIJYKBJ-UKRRQHHQSA-N	1	0	359.474	1.852	20	30		FDEDRO
C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000248689891	537206401	/nfs/dbraw/zinc/20/64/01/537206401.db2.gz	XRZIZKPMIJYKBJ-DZGCQCFKSA-N	1	0	359.474	1.852	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1	ZINC000192154902	537221462	/nfs/dbraw/zinc/22/14/62/537221462.db2.gz	NYVQZJGFUUIYDE-YJBOKZPZSA-N	1	0	362.861	1.964	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cccc(-n3cc(C(=O)OC)nn3)c2)CC1	ZINC000192608582	537227045	/nfs/dbraw/zinc/22/70/45/537227045.db2.gz	CEBJEEIJKCYHNN-UHFFFAOYSA-N	1	0	367.409	1.338	20	30		FDEDRO
N#CCC1(O)CN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1	ZINC000193970330	537257560	/nfs/dbraw/zinc/25/75/60/537257560.db2.gz	XQMNENPPECYCPT-KRWDZBQOSA-N	1	0	367.371	1.928	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1	ZINC000285781760	537277500	/nfs/dbraw/zinc/27/75/00/537277500.db2.gz	YSLAPJYWBWRBNY-HZPDHXFCSA-N	1	0	357.520	1.179	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1	ZINC000282249442	537287150	/nfs/dbraw/zinc/28/71/50/537287150.db2.gz	FKRMISXHVRVWJL-BFYDXBDKSA-N	1	0	350.488	1.718	20	30		FDEDRO
CN(C)C(=O)c1ccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[nH]1	ZINC000272604386	537303458	/nfs/dbraw/zinc/30/34/58/537303458.db2.gz	SRFPHPREKMKXFU-KRWDZBQOSA-N	1	0	365.437	1.873	20	30		FDEDRO
C=CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1	ZINC000282391312	537325049	/nfs/dbraw/zinc/32/50/49/537325049.db2.gz	VUYUHROEIZEYSQ-MRXNPFEDSA-N	1	0	360.506	1.915	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCC[N@@H+](C)CCOC	ZINC000285841631	537331620	/nfs/dbraw/zinc/33/16/20/537331620.db2.gz	GPSOBEXMDNYGST-UHFFFAOYSA-N	1	0	373.906	1.611	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N1CCN(C)C[C@H]1c1ccccc1	ZINC000282849829	537341619	/nfs/dbraw/zinc/34/16/19/537341619.db2.gz	NSNSHPXQBJXQMV-KRWDZBQOSA-N	1	0	366.487	1.082	20	30		FDEDRO
Cc1nc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)ccc1C#N	ZINC000270531328	537347212	/nfs/dbraw/zinc/34/72/12/537347212.db2.gz	BCMWWNNHSVTUSP-RTBURBONSA-N	1	0	364.449	1.875	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000282925697	537347314	/nfs/dbraw/zinc/34/73/14/537347314.db2.gz	HQQBESNHKANCDY-HNNXBMFYSA-N	1	0	350.488	1.719	20	30		FDEDRO
C#CCNC(=O)CC[N@@H+](CC)C[C@@H](O)COc1ccc(CCOC)cc1	ZINC000293110711	537348544	/nfs/dbraw/zinc/34/85/44/537348544.db2.gz	YMEYWMHNZUSOPN-GOSISDBHSA-N	1	0	362.470	1.077	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1	ZINC000283099573	537353613	/nfs/dbraw/zinc/35/36/13/537353613.db2.gz	XCXIAHUTFSBDQK-CYBMUJFWSA-N	1	0	374.457	1.807	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@]2(CO)C[C@H]2c2ccccc2)CC1	ZINC000290487071	537355653	/nfs/dbraw/zinc/35/56/53/537355653.db2.gz	GPQUAGNGUSQWTM-PXNSSMCTSA-N	1	0	374.485	1.678	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)[NH+](C)C	ZINC000293149241	537366838	/nfs/dbraw/zinc/36/68/38/537366838.db2.gz	VZUPZIVXVLUNDY-VIFPVBQESA-N	1	0	353.220	1.326	20	30		FDEDRO
C[C@H](C#N)CN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C	ZINC000283383821	537374604	/nfs/dbraw/zinc/37/46/04/537374604.db2.gz	DFZMVVWJLDDBOJ-QGZVFWFLSA-N	1	0	367.501	1.776	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2OCCN(Cc3nnc(-c4ccc(C#N)cc4)o3)[C@H]2C1	ZINC000293199897	537385905	/nfs/dbraw/zinc/38/59/05/537385905.db2.gz	INJDHJQAOUTEKH-DLBZAZTESA-N	1	0	353.426	1.903	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1	ZINC000284225956	537403156	/nfs/dbraw/zinc/40/31/56/537403156.db2.gz	UIXTWNVJGHBKDQ-UHFFFAOYSA-N	1	0	359.470	1.827	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000284239600	537405053	/nfs/dbraw/zinc/40/50/53/537405053.db2.gz	LZIAJCGMIAERMU-UHFFFAOYSA-N	1	0	372.513	1.345	20	30		FDEDRO
C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H]1C(N)=O	ZINC000286024219	537407928	/nfs/dbraw/zinc/40/79/28/537407928.db2.gz	CTJMAVMVWYXBJA-BXUZGUMPSA-N	1	0	360.483	1.880	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccsc2C(=O)OC)CC1	ZINC000273304184	537428262	/nfs/dbraw/zinc/42/82/62/537428262.db2.gz	LXKBEXAHDVTCKZ-UHFFFAOYSA-N	1	0	351.428	1.240	20	30		FDEDRO
C=CCC[N@@H+](C)CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000276372372	537457584	/nfs/dbraw/zinc/45/75/84/537457584.db2.gz	GYRKTVKTPWWZIM-UHFFFAOYSA-N	1	0	367.471	1.154	20	30		FDEDRO
Cc1cc(S(=O)(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1C#N	ZINC000365234815	537459404	/nfs/dbraw/zinc/45/94/04/537459404.db2.gz	QLNCLWJMLGGVLH-KBAYOESNSA-N	1	0	363.483	1.739	20	30		FDEDRO
C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)Nc3ccc(C#N)c(F)c3)C2)CC1	ZINC000290922955	537472010	/nfs/dbraw/zinc/47/20/10/537472010.db2.gz	XWVUATSVZKKHLJ-OAHLLOKOSA-N	1	0	358.417	1.826	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(CCC)CCC[NH+](C)C)c1	ZINC000276447846	537516574	/nfs/dbraw/zinc/51/65/74/537516574.db2.gz	WAXQRTGJKBAHJQ-UHFFFAOYSA-N	1	0	367.515	1.955	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)C1=O	ZINC000281252412	537519416	/nfs/dbraw/zinc/51/94/16/537519416.db2.gz	QIKKIGQYYOLQHL-RDTXWAMCSA-N	1	0	357.454	1.782	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000274722808	537530161	/nfs/dbraw/zinc/53/01/61/537530161.db2.gz	VCFWZYQFHMDSJF-HOTGVXAUSA-N	1	0	373.453	1.253	20	30		FDEDRO
C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc(C#N)cc2)C[C@@H](C)O1	ZINC000299283381	537534406	/nfs/dbraw/zinc/53/44/06/537534406.db2.gz	WOYMPKOTMLPFIJ-IZBJGVDFSA-N	1	0	373.497	1.872	20	30		FDEDRO
Cc1nn(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c(=O)c(C#N)c1C	ZINC000299402157	537566582	/nfs/dbraw/zinc/56/65/82/537566582.db2.gz	KZKCLKCMTUVDBW-QGZVFWFLSA-N	1	0	353.426	1.151	20	30		FDEDRO
CC(=O)N(C)c1cccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1	ZINC000275902419	537589824	/nfs/dbraw/zinc/58/98/24/537589824.db2.gz	REUXKWTVQZNMJJ-UHFFFAOYSA-N	1	0	373.457	1.302	20	30		FDEDRO
C[NH+](C)CCOc1cccc(CNS(=O)(=O)c2cncc(C#N)c2)c1	ZINC000289832610	537593078	/nfs/dbraw/zinc/59/30/78/537593078.db2.gz	OQSCXSZAUIDJDA-UHFFFAOYSA-N	1	0	360.439	1.372	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@](C)(C[NH3+])C(C)C)ccc1F	ZINC000236671602	537594485	/nfs/dbraw/zinc/59/44/85/537594485.db2.gz	DPWDWUIVCOJSOD-INIZCTEOSA-N	1	0	357.451	1.393	20	30		FDEDRO
CCOCCCNC(=[NH2+])NC[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1	ZINC000305009369	537597839	/nfs/dbraw/zinc/59/78/39/537597839.db2.gz	JXKXEQDAVGWOAO-HNNXBMFYSA-N	1	0	364.490	1.861	20	30		FDEDRO
COc1ccc(CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)cn1	ZINC000305020609	537598822	/nfs/dbraw/zinc/59/88/22/537598822.db2.gz	NPOSEIDHKVCVHJ-AWEZNQCLSA-N	1	0	361.446	1.471	20	30		FDEDRO
COc1ccc(C(=O)NCCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)cc1	ZINC000304516813	537599217	/nfs/dbraw/zinc/59/92/17/537599217.db2.gz	ZLJRNBCHOALAJW-QGZVFWFLSA-N	1	0	368.437	1.853	20	30		FDEDRO
Cn1cc(C[NH2+]CC2(N3CCOCC3)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000277484289	537614265	/nfs/dbraw/zinc/61/42/65/537614265.db2.gz	MUNHOASAHKUTEG-UHFFFAOYSA-N	1	0	351.454	1.913	20	30		FDEDRO
N#CCCN(CCN1CCOCC1)C(=O)[C@@H](O)c1ccc(Cl)cc1F	ZINC000291555466	537629481	/nfs/dbraw/zinc/62/94/81/537629481.db2.gz	QVIBSZWXEFODDD-INIZCTEOSA-N	1	0	369.824	1.587	20	30		FDEDRO
Cc1noc([C@H]2CCCCN2C(=O)NCCN2CCOCC2(C)C)n1	ZINC000329416980	537636698	/nfs/dbraw/zinc/63/66/98/537636698.db2.gz	FWTNTCSGWPEXAG-CQSZACIVSA-N	1	0	351.451	1.930	20	30		FDEDRO
Cc1cnn([C@@H]2CCN(C([O-])=[NH+]C3CC[NH+](C[C@@H]4CCOC4)CC3)C2)c1	ZINC000329598051	537639554	/nfs/dbraw/zinc/63/95/54/537639554.db2.gz	JGUQVTMLPXZWKO-FUHWJXTLSA-N	1	0	361.490	1.853	20	30		FDEDRO
Cc1cnn([C@H]2CCN(C([O-])=[NH+]C3CC[NH+](C4CCN(C)CC4)CC3)C2)c1	ZINC000329598696	537639683	/nfs/dbraw/zinc/63/96/83/537639683.db2.gz	JLPSHFIYKOHXAZ-IBGZPJMESA-N	1	0	374.533	1.911	20	30		FDEDRO
C[C@H](NC(=O)CN1CCO[C@]2(CCO[C@H]2C)C1)C(=O)N1CCCCC1	ZINC000329918926	537645771	/nfs/dbraw/zinc/64/57/71/537645771.db2.gz	CYBHXBLLASYQIR-RLFYNMQTSA-N	1	0	353.463	1.224	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(C)[C@H](c2nccn2C)C1	ZINC000329959139	537647921	/nfs/dbraw/zinc/64/79/21/537647921.db2.gz	NBUFRQRHKQICOE-IKGGRYGDSA-N	1	0	362.522	1.743	20	30		FDEDRO
C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCC1(O)CC[NH+](C)CC1)C2=O	ZINC000330029148	537650378	/nfs/dbraw/zinc/65/03/78/537650378.db2.gz	POMYXLJJDGYKEY-FZKQIMNGSA-N	1	0	366.462	1.105	20	30		FDEDRO
C[N@H+](CCO)C1CCN(C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)CC1	ZINC000330061591	537651184	/nfs/dbraw/zinc/65/11/84/537651184.db2.gz	ABCQRZSHPDRVCA-RHSMWYFYSA-N	1	0	357.520	1.344	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCOC[C@H](C3CCC3)C2)CC1	ZINC000330222962	537652163	/nfs/dbraw/zinc/65/21/63/537652163.db2.gz	AAORGUHPGQSLQP-RTBURBONSA-N	1	0	362.518	1.427	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Cc1ccccc1I	ZINC000294093330	537655898	/nfs/dbraw/zinc/65/58/98/537655898.db2.gz	XTMJUOJRUCANBL-UHFFFAOYSA-N	1	0	370.234	1.905	20	30		FDEDRO
CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1	ZINC000330749673	537660833	/nfs/dbraw/zinc/66/08/33/537660833.db2.gz	UMLCHAHBIAFVRA-GJZGRUSLSA-N	1	0	352.479	1.396	20	30		FDEDRO
C[C@@H]1COCCN1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1	ZINC000331193792	537665467	/nfs/dbraw/zinc/66/54/67/537665467.db2.gz	SCYFKMNLDRKTBZ-CQSZACIVSA-N	1	0	354.495	1.248	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCNC(=O)c1cnc(C(F)(F)F)c(C#N)c1	ZINC000294253608	537677273	/nfs/dbraw/zinc/67/72/73/537677273.db2.gz	OZIPFDNUYVYJPA-UHFFFAOYSA-N	1	0	357.380	1.585	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)[C@@]3(C#N)CC34CCCC4)cn2)CC1	ZINC000294316892	537683377	/nfs/dbraw/zinc/68/33/77/537683377.db2.gz	GNXCUCYXAPLSPD-FQEVSTJZSA-N	1	0	353.470	1.924	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)NC2CC[NH+](CCCOC)CC2)cc1	ZINC000296501963	537714563	/nfs/dbraw/zinc/71/45/63/537714563.db2.gz	SBVGWXWHEIQZNX-UHFFFAOYSA-N	1	0	359.470	1.999	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1CCC([NH+](CCOC)CCOC)CC1	ZINC000285633061	537739285	/nfs/dbraw/zinc/73/92/85/537739285.db2.gz	YSRVUAOJISGGGE-UHFFFAOYSA-N	1	0	353.507	1.246	20	30		FDEDRO
C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000292548117	537744352	/nfs/dbraw/zinc/74/43/52/537744352.db2.gz	JYAAQUYDLPHOCN-CYBMUJFWSA-N	1	0	354.451	1.002	20	30		FDEDRO
COCCCCCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000285745784	537754401	/nfs/dbraw/zinc/75/44/01/537754401.db2.gz	POWRZOXAYYAWNI-UHFFFAOYSA-N	1	0	374.485	1.381	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1	ZINC000371182875	537767479	/nfs/dbraw/zinc/76/74/79/537767479.db2.gz	GJXHGGSGHOQDCW-LJQANCHMSA-N	1	0	353.466	1.639	20	30		FDEDRO
C=C[C@@H]1CCCC[N@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000411655493	537813327	/nfs/dbraw/zinc/81/33/27/537813327.db2.gz	KOFKAGLDBPSQNH-MRXNPFEDSA-N	1	0	365.499	1.423	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)CN1CCC([NH+]2CCN(C(C)C)CC2)CC1	ZINC000371341970	537820466	/nfs/dbraw/zinc/82/04/66/537820466.db2.gz	SYGGZNXEXQFAGY-SFHVURJKSA-N	1	0	363.550	1.485	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21	ZINC000371752068	537830424	/nfs/dbraw/zinc/83/04/24/537830424.db2.gz	DSZBDYLEJWWYBR-CEXWTWQISA-N	1	0	370.497	1.889	20	30		FDEDRO
C=CC[C@@H](CO)[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000371835673	537833098	/nfs/dbraw/zinc/83/30/98/537833098.db2.gz	URUCVRGBXWVGNG-HNNXBMFYSA-N	1	0	354.472	1.375	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1	ZINC000416421620	537839839	/nfs/dbraw/zinc/83/98/39/537839839.db2.gz	DVPNAPRIGCUJNA-CYBMUJFWSA-N	1	0	355.435	1.500	20	30		FDEDRO
N#Cc1c(F)cccc1C(=O)N1CCN(CC[N@@H+]2CCCOCC2)CC1	ZINC000376129730	537842059	/nfs/dbraw/zinc/84/20/59/537842059.db2.gz	SUWTYAKSJSGBKN-UHFFFAOYSA-N	1	0	360.433	1.177	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000409508332	537855453	/nfs/dbraw/zinc/85/54/53/537855453.db2.gz	MBEHREUQXSYWSB-XHSDSOJGSA-N	1	0	360.524	1.049	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1	ZINC000418934272	537856946	/nfs/dbraw/zinc/85/69/46/537856946.db2.gz	JICMPVYKZWWUQD-ULQDDVLXSA-N	1	0	357.454	1.453	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000409517536	537858710	/nfs/dbraw/zinc/85/87/10/537858710.db2.gz	KIMXHKGIAQZUEH-HZPDHXFCSA-N	1	0	372.535	1.336	20	30		FDEDRO
CC(C)C[C@H]([NH3+])c1noc(CN(C)S(=O)(=O)c2ccc(C#N)cc2)n1	ZINC000414614253	537865657	/nfs/dbraw/zinc/86/56/57/537865657.db2.gz	GXDUVZJFKHENHO-AWEZNQCLSA-N	1	0	363.443	1.808	20	30		FDEDRO
CC(C)([NH3+])CNC(=O)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	ZINC000419035598	537901788	/nfs/dbraw/zinc/90/17/88/537901788.db2.gz	OQHGMDRMTVNQSX-UHFFFAOYSA-N	1	0	358.442	1.218	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1	ZINC000414888014	537932013	/nfs/dbraw/zinc/93/20/13/537932013.db2.gz	DTKMIAZFRQTZOV-CJNGLKHVSA-N	1	0	366.487	1.694	20	30		FDEDRO
N#Cc1cccc(OCC[N@H+]2CCCN(c3ncccc3C(N)=O)CC2)c1	ZINC000377585536	537983624	/nfs/dbraw/zinc/98/36/24/537983624.db2.gz	VXWHCSOQFDZOEP-UHFFFAOYSA-N	1	0	365.437	1.643	20	30		FDEDRO
Cc1cc(NC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)c(C#N)cc1N(C)C	ZINC000417160251	538013830	/nfs/dbraw/zinc/01/38/30/538013830.db2.gz	PDOXMWAMMWXIHF-GJZGRUSLSA-N	1	0	359.474	1.852	20	30		FDEDRO
C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000415408271	538034793	/nfs/dbraw/zinc/03/47/93/538034793.db2.gz	BZKHOERJWGASQH-SECBINFHSA-N	1	0	358.320	1.367	20	30		FDEDRO
CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000415420496	538040117	/nfs/dbraw/zinc/04/01/17/538040117.db2.gz	APXJLQPDZYBFCC-LJQANCHMSA-N	1	0	364.449	1.910	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCO[C@@H](C[NH3+])C3)C2)c(F)c1	ZINC000417582665	538054815	/nfs/dbraw/zinc/05/48/15/538054815.db2.gz	VMYGDPCVUPWNQM-GJZGRUSLSA-N	1	0	361.421	1.035	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@H]3CCC[NH2+]C3)C2)c(F)c1	ZINC000417579895	538055235	/nfs/dbraw/zinc/05/52/35/538055235.db2.gz	QEORUUBGVFGMFY-HOTGVXAUSA-N	1	0	359.449	1.965	20	30		FDEDRO
N#CCC[C@H](NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1	ZINC000419483139	538076172	/nfs/dbraw/zinc/07/61/72/538076172.db2.gz	ZFXNDIMUZFFCKH-XDNAFOTISA-N	1	0	354.454	1.652	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1	ZINC000371088697	538098916	/nfs/dbraw/zinc/09/89/16/538098916.db2.gz	OOXCZERJSWETIF-WTANOLMUSA-N	1	0	356.426	1.788	20	30		FDEDRO
N#Cc1c(F)cccc1N1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1	ZINC000418742267	538100999	/nfs/dbraw/zinc/10/09/99/538100999.db2.gz	BWLCEIZXRHYDNI-OAHLLOKOSA-N	1	0	367.375	1.526	20	30		FDEDRO
Cc1cc(=NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)[nH]n1[C@H](C)C1CC1	ZINC000438752977	538132190	/nfs/dbraw/zinc/13/21/90/538132190.db2.gz	LXTDRSQSFARAFQ-OAHLLOKOSA-N	1	0	374.489	1.795	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(C#N)cc2Cl)CCCO1	ZINC000432291860	538134452	/nfs/dbraw/zinc/13/44/52/538134452.db2.gz	OMTIXIIIITTWFK-CYBMUJFWSA-N	1	0	371.890	1.991	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1	ZINC000419918356	538147192	/nfs/dbraw/zinc/14/71/92/538147192.db2.gz	UKPLMOTUATUOPS-AWEZNQCLSA-N	1	0	360.414	1.225	20	30		FDEDRO
CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000419967053	538165879	/nfs/dbraw/zinc/16/58/79/538165879.db2.gz	ZVQSMJGOOXROMB-INIZCTEOSA-N	1	0	372.469	1.418	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1	ZINC000419982433	538174159	/nfs/dbraw/zinc/17/41/59/538174159.db2.gz	TXDWCPRPOZBAHC-MRXNPFEDSA-N	1	0	354.454	1.579	20	30		FDEDRO
C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC(C)(C)CC#N)C1	ZINC000422262929	538195641	/nfs/dbraw/zinc/19/56/41/538195641.db2.gz	RVRQASBQAWDMNF-NVXWUHKLSA-N	1	0	356.470	1.994	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C	ZINC000420042790	538196500	/nfs/dbraw/zinc/19/65/00/538196500.db2.gz	QXTKTUZTAOLAJW-WMLDXEAASA-N	1	0	372.469	1.526	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1	ZINC000424070533	538228351	/nfs/dbraw/zinc/22/83/51/538228351.db2.gz	SHHWTHICOROWFS-HOTGVXAUSA-N	1	0	359.430	1.947	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC[C@H]1[NH3+]	ZINC000440402206	538234122	/nfs/dbraw/zinc/23/41/22/538234122.db2.gz	CAGHMMBHNZDTEO-NOZJJQNGSA-N	1	0	358.261	1.679	20	30		FDEDRO
Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)c1	ZINC000424126566	538243069	/nfs/dbraw/zinc/24/30/69/538243069.db2.gz	OYBHQBHDZYLXMC-AEFFLSMTSA-N	1	0	372.469	1.454	20	30		FDEDRO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1	ZINC000422525956	538295548	/nfs/dbraw/zinc/29/55/48/538295548.db2.gz	JGPXZNDPPWKQOO-HKUYNNGSSA-N	1	0	355.482	1.985	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC000441722854	538336091	/nfs/dbraw/zinc/33/60/91/538336091.db2.gz	AOACTFIXEODEOB-IRXDYDNUSA-N	1	0	374.416	1.130	20	30		FDEDRO
C=CCn1cc(CNC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)nn1	ZINC000424910118	538357646	/nfs/dbraw/zinc/35/76/46/538357646.db2.gz	XKJRRWWZAWPLPM-UHFFFAOYSA-N	1	0	369.469	1.598	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N[C@H]2CCC[N@H+](CCCO)C2)c(OC)c1	ZINC000452378767	538386408	/nfs/dbraw/zinc/38/64/08/538386408.db2.gz	XVYRIIDLIOGKHU-KRWDZBQOSA-N	1	0	362.470	1.766	20	30		FDEDRO
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)c1C	ZINC000453955222	538480802	/nfs/dbraw/zinc/48/08/02/538480802.db2.gz	GVARPOQKSOMNKP-LBPRGKRZSA-N	1	0	368.441	1.366	20	30		FDEDRO
Cc1cc(C(=O)Nc2ccc(OC[C@H](O)C[NH+](C)C)cc2)ncc1C#N	ZINC000457638486	538503842	/nfs/dbraw/zinc/50/38/42/538503842.db2.gz	WLSXNDKEKWSVQY-MRXNPFEDSA-N	1	0	354.410	1.815	20	30		FDEDRO
C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]2C#N)cc1	ZINC000461772080	538563511	/nfs/dbraw/zinc/56/35/11/538563511.db2.gz	FXSSVQZJNYIECO-BBRMVZONSA-N	1	0	371.441	1.324	20	30		FDEDRO
C=CCC[C@H](CO)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000458708723	538636443	/nfs/dbraw/zinc/63/64/43/538636443.db2.gz	HSBVZVBXBXFGPJ-RTBURBONSA-N	1	0	361.486	1.904	20	30		FDEDRO
CS[C@@H]1CN(C(=O)CCc2c(C)nn(CCC#N)c2C)C[C@@H]1[NH+](C)C	ZINC000495565330	538672858	/nfs/dbraw/zinc/67/28/58/538672858.db2.gz	OCBFXRHYDNOMAI-DLBZAZTESA-N	1	0	363.531	1.850	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])CC1	ZINC000459378100	538685774	/nfs/dbraw/zinc/68/57/74/538685774.db2.gz	YMLJSGQDUMXADA-KRWDZBQOSA-N	1	0	357.414	1.205	20	30		FDEDRO
CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000502163972	538726809	/nfs/dbraw/zinc/72/68/09/538726809.db2.gz	DVJPCQYCWKOPOX-ZDUSSCGKSA-N	1	0	371.441	1.443	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)CC2)c1C#N	ZINC000473001347	538732454	/nfs/dbraw/zinc/73/24/54/538732454.db2.gz	OFXAGYMMDKFXNO-SFHVURJKSA-N	1	0	372.517	1.759	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CC[C@H](C[NH+](C)C)C1	ZINC000484652475	538796112	/nfs/dbraw/zinc/79/61/12/538796112.db2.gz	JFPCPUZVYRWZOX-OAHLLOKOSA-N	1	0	353.430	1.863	20	30		FDEDRO
Cn1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccc1=O	ZINC000479249146	538797285	/nfs/dbraw/zinc/79/72/85/538797285.db2.gz	RREXEGFIZGCIOE-UHFFFAOYSA-N	1	0	350.422	1.673	20	30		FDEDRO
CC(C)[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000471217581	538847552	/nfs/dbraw/zinc/84/75/52/538847552.db2.gz	ZDIAAXNIPUWGEM-SFHVURJKSA-N	1	0	366.469	1.954	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]CCCNC(=O)c3cccc(O)c3)cnc12	ZINC000560801647	545608940	/nfs/dbraw/zinc/60/89/40/545608940.db2.gz	XUXKCWWXKXPKDC-UHFFFAOYSA-N	1	0	350.382	1.216	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000561131187	545704561	/nfs/dbraw/zinc/70/45/61/545704561.db2.gz	RUDUJKWAFYQQGI-HNNXBMFYSA-N	1	0	355.417	1.628	20	30		FDEDRO
Cc1nc(CN2CCC(C(=O)NC3(C#N)CC[NH+](C)CC3)CC2)cs1	ZINC000561566918	545899228	/nfs/dbraw/zinc/89/92/28/545899228.db2.gz	SRMQAZJWBOOSOQ-UHFFFAOYSA-N	1	0	361.515	1.768	20	30		FDEDRO
N#Cc1cncnc1NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000561880461	545975438	/nfs/dbraw/zinc/97/54/38/545975438.db2.gz	LIXZQWLMBXNKNX-MRXNPFEDSA-N	1	0	350.426	1.080	20	30		FDEDRO
C=CCCC[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C	ZINC000563003036	546350106	/nfs/dbraw/zinc/35/01/06/546350106.db2.gz	NASVNJACAUFDHI-UHFFFAOYSA-N	1	0	360.501	1.266	20	30		FDEDRO
N#Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)n1	ZINC000563099825	546403257	/nfs/dbraw/zinc/40/32/57/546403257.db2.gz	UCDYXXSGPIRFJH-SJLPKXTDSA-N	1	0	365.437	1.958	20	30		FDEDRO
CN(Cc1nc(C2([NH3+])CCCC2)no1)S(=O)(=O)c1ccc(C#N)cc1	ZINC000563121015	546415026	/nfs/dbraw/zinc/41/50/26/546415026.db2.gz	WOHJEDUGUPNRSU-UHFFFAOYSA-N	1	0	361.427	1.490	20	30		FDEDRO
C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000563144034	546423135	/nfs/dbraw/zinc/42/31/35/546423135.db2.gz	OWWCNUYRNRZXIJ-KCNJBTMXSA-N	1	0	373.457	1.001	20	30		FDEDRO
N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1	ZINC000563432565	546532510	/nfs/dbraw/zinc/53/25/10/546532510.db2.gz	IERNDFNZXIFGCG-BXKDBHETSA-N	1	0	361.327	1.272	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1=O	ZINC000563974468	546760780	/nfs/dbraw/zinc/76/07/80/546760780.db2.gz	XLNBBCWDMOZWOQ-HZPDHXFCSA-N	1	0	351.516	1.449	20	30		FDEDRO
C[C@@H]1CN(Cc2ccc(C(=O)N[C@](C)(C#N)CN(C)C)cc2)C[C@H](C)O1	ZINC000565954289	547545924	/nfs/dbraw/zinc/54/59/24/547545924.db2.gz	LLDKBOZJAXOIND-GQIGUUNPSA-N	1	0	358.486	1.869	20	30		FDEDRO
COc1cccc2c1C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C2	ZINC000566122663	547614710	/nfs/dbraw/zinc/61/47/10/547614710.db2.gz	RPTNXIYDBXRFKP-OAHLLOKOSA-N	1	0	357.435	1.493	20	30		FDEDRO
Cc1cc(N2CCC[C@@H]([NH2+]C[C@H](O)COc3ccc(C#N)cc3)C2)n(C)n1	ZINC000566125665	547615598	/nfs/dbraw/zinc/61/55/98/547615598.db2.gz	UCLDYYCGRKPTND-MSOLQXFVSA-N	1	0	369.469	1.599	20	30		FDEDRO
CC[NH+](CC)CC1CCN(C(=O)C(=O)NCc2ccc(CC#N)cc2)CC1	ZINC000566211110	547661682	/nfs/dbraw/zinc/66/16/82/547661682.db2.gz	INMSJLFFIVIAIQ-UHFFFAOYSA-N	1	0	370.497	1.949	20	30		FDEDRO
CC1(CNS(=O)(=O)c2cccc(Br)c2C#N)CC[NH2+]CC1	ZINC000566228233	547671183	/nfs/dbraw/zinc/67/11/83/547671183.db2.gz	BQCNROXKDLIZMS-UHFFFAOYSA-N	1	0	372.288	1.989	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)s1	ZINC000566501364	547784437	/nfs/dbraw/zinc/78/44/37/547784437.db2.gz	HJTGPUGXQXVPAW-GXTWGEPZSA-N	1	0	355.485	1.527	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000566963382	547945680	/nfs/dbraw/zinc/94/56/80/547945680.db2.gz	WEBZALXXOZINRF-NCOADZHNSA-N	1	0	364.490	1.010	20	30		FDEDRO
N#Cc1cccnc1OC1CCC(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1	ZINC000567455152	548122795	/nfs/dbraw/zinc/12/27/95/548122795.db2.gz	WPDGCNCCHSHVJF-VXLLPVPCSA-N	1	0	355.442	1.647	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]CCNC(=O)c2ccccc2)cc1	ZINC000567680468	548209489	/nfs/dbraw/zinc/20/94/89/548209489.db2.gz	ZOROCZKUWVWJID-SFHVURJKSA-N	1	0	353.422	1.512	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH2+]CC1CCS(=O)(=O)CC1	ZINC000567685669	548212295	/nfs/dbraw/zinc/21/22/95/548212295.db2.gz	HWGWBFFVOKFJNQ-QGZVFWFLSA-N	1	0	353.484	1.569	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000567692485	548216449	/nfs/dbraw/zinc/21/64/49/548216449.db2.gz	VHLZOWUFWTUREQ-IAGOWNOFSA-N	1	0	359.449	1.462	20	30		FDEDRO
CC[C@H](COCC(F)(F)F)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000567697390	548217652	/nfs/dbraw/zinc/21/76/52/548217652.db2.gz	WMDYGYRSKOTKIX-GFCCVEGCSA-N	1	0	365.377	1.674	20	30		FDEDRO
Cc1cc(N2CCC([NH2+]C[C@H](O)COc3ccc(CC#N)cc3)CC2)n[nH]1	ZINC000567710187	548223551	/nfs/dbraw/zinc/22/35/51/548223551.db2.gz	GTPKWAHTOADDEW-SFHVURJKSA-N	1	0	369.469	1.783	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H]([NH2+]C[C@H](O)COc3ccccc3)C2=O)cc1	ZINC000567726825	548231698	/nfs/dbraw/zinc/23/16/98/548231698.db2.gz	ZNNCDCVMPFZVQE-AZUAARDMSA-N	1	0	365.433	1.689	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)CC[C@H]3CCCC[N@@H+]3C)CC2)c1C#N	ZINC000567777584	548253932	/nfs/dbraw/zinc/25/39/32/548253932.db2.gz	SLGHAXJUMZODFB-MRXNPFEDSA-N	1	0	358.490	1.513	20	30		FDEDRO
CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2cccc(C#N)n2)c1	ZINC000567835239	548280917	/nfs/dbraw/zinc/28/09/17/548280917.db2.gz	GRPFHLKZOSRGLC-UHFFFAOYSA-N	1	0	351.410	1.660	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+]	ZINC000567875493	548304309	/nfs/dbraw/zinc/30/43/09/548304309.db2.gz	FWEYZJYDXMFYLL-IBGZPJMESA-N	1	0	362.433	1.601	20	30		FDEDRO
CCOC1CC([N@H+](C)CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1	ZINC000568031757	548369918	/nfs/dbraw/zinc/36/99/18/548369918.db2.gz	IZXMYDFCRHWQST-UHFFFAOYSA-N	1	0	361.446	1.003	20	30		FDEDRO
Cn1c(CC(=O)N(CCC#N)CCC[NH+](C)C)nnc1-c1ccccc1	ZINC000568189263	548431355	/nfs/dbraw/zinc/43/13/55/548431355.db2.gz	BRZRKCQGPQRMEA-UHFFFAOYSA-N	1	0	354.458	1.719	20	30		FDEDRO
CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1	ZINC000568395009	548519892	/nfs/dbraw/zinc/51/98/92/548519892.db2.gz	KODKGZZWAXPVGB-SFHVURJKSA-N	1	0	357.414	1.393	20	30		FDEDRO
N#Cc1ccc(N2C[C@H](C(=O)N3CC[NH+]4CCC3CC4)CC2=O)cc1Cl	ZINC000568592823	548596120	/nfs/dbraw/zinc/59/61/20/548596120.db2.gz	DKKUEXRRRVRWPC-CQSZACIVSA-N	1	0	372.856	1.871	20	30		FDEDRO
COc1cccc(C[C@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)c1	ZINC000568754768	548667181	/nfs/dbraw/zinc/66/71/81/548667181.db2.gz	SOLZWHBQRDUECR-AWEZNQCLSA-N	1	0	359.451	1.956	20	30		FDEDRO
COCCN1CCC([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000569448433	548920285	/nfs/dbraw/zinc/92/02/85/548920285.db2.gz	AGISPDLPESWIPH-UHFFFAOYSA-N	1	0	351.472	1.032	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC[C@H](CC[NH3+])C3)C2=O)cc1	ZINC000569794283	549048894	/nfs/dbraw/zinc/04/88/94/549048894.db2.gz	MQSPURZLQVFQTN-SJLPKXTDSA-N	1	0	369.469	1.430	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[C@@H](CC[NH3+])C3)C2=O)cc1	ZINC000569794284	549049054	/nfs/dbraw/zinc/04/90/54/549049054.db2.gz	MQSPURZLQVFQTN-WMZOPIPTSA-N	1	0	369.469	1.430	20	30		FDEDRO
CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1	ZINC000570087702	549154630	/nfs/dbraw/zinc/15/46/30/549154630.db2.gz	WKFKVRKMOBZCOR-MRXNPFEDSA-N	1	0	371.485	1.053	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1	ZINC000570088005	549154680	/nfs/dbraw/zinc/15/46/80/549154680.db2.gz	LJXRASKVFDUWCJ-CQSZACIVSA-N	1	0	353.488	1.609	20	30		FDEDRO
C[C@H](NC(=O)C(=O)Nc1cccc(C#N)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000570210465	549198403	/nfs/dbraw/zinc/19/84/03/549198403.db2.gz	CYEQSNXWSGMOJA-UONOGXRCSA-N	1	0	355.442	1.661	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1	ZINC000570357350	549250582	/nfs/dbraw/zinc/25/05/82/549250582.db2.gz	NICJKIBBOGWFCY-ULQDDVLXSA-N	1	0	351.491	1.465	20	30		FDEDRO
C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000570359967	549251341	/nfs/dbraw/zinc/25/13/41/549251341.db2.gz	PGXTXUUBUUJPHX-KRWDZBQOSA-N	1	0	370.501	1.905	20	30		FDEDRO
CCC(CC)[C@H](C[NH2+]Cc1cnc2c(C#N)cnn2c1)N1CCOCC1	ZINC000570531368	549314073	/nfs/dbraw/zinc/31/40/73/549314073.db2.gz	CMLQHQBAXANUOC-SFHVURJKSA-N	1	0	356.474	1.828	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C	ZINC000570759494	549399738	/nfs/dbraw/zinc/39/97/38/549399738.db2.gz	QIAFQVWJJPPXLO-APWZRJJASA-N	1	0	355.482	1.843	20	30		FDEDRO
COC(=O)c1ccc(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)cc1OC	ZINC000570836732	549430923	/nfs/dbraw/zinc/43/09/23/549430923.db2.gz	KKBFMKIOLMXBTL-MRXNPFEDSA-N	1	0	370.405	1.883	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CCN(C(=O)N[C@H]3CCc4[nH]cnc4C3)C2)nc1	ZINC000571140339	549537939	/nfs/dbraw/zinc/53/79/39/549537939.db2.gz	BXUMIEAZPSCANR-KBPBESRZSA-N	1	0	352.398	1.397	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1	ZINC000571143466	549539053	/nfs/dbraw/zinc/53/90/53/549539053.db2.gz	YLQZYPMTCQQOTG-UHFFFAOYSA-N	1	0	372.494	1.636	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@]23CCNC3=O)c(OC)c1	ZINC000571342024	549611574	/nfs/dbraw/zinc/61/15/74/549611574.db2.gz	UBDRXBBVMJXEPR-JXFKEZNVSA-N	1	0	360.454	1.518	20	30		FDEDRO
COC(=O)c1cc(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)oc1C	ZINC000572148921	549853205	/nfs/dbraw/zinc/85/32/05/549853205.db2.gz	JSAFZWHKTWOOTB-HNNXBMFYSA-N	1	0	358.394	1.970	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C[C@@H](O)COC(c1ccccc1)c1ccccc1	ZINC000572476718	549922465	/nfs/dbraw/zinc/92/24/65/549922465.db2.gz	DRFURBCTSJZPKH-GOSISDBHSA-N	1	0	353.422	1.383	20	30		FDEDRO
C[C@@H](NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)c1ccc(C#N)cc1	ZINC000572498717	549929364	/nfs/dbraw/zinc/92/93/64/549929364.db2.gz	HMZURBFIWIYRKJ-CRAIPNDOSA-N	1	0	369.469	1.473	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCC(C#N)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000572562588	549942852	/nfs/dbraw/zinc/94/28/52/549942852.db2.gz	VVUPLWFMRNIOHK-VQIMIIECSA-N	1	0	368.481	1.775	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)n2)c(F)c1	ZINC000572734351	549983373	/nfs/dbraw/zinc/98/33/73/549983373.db2.gz	JSTCYBYLAUSZLC-HIFRSBDPSA-N	1	0	354.389	2.099	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1	ZINC000573306791	550108026	/nfs/dbraw/zinc/10/80/26/550108026.db2.gz	MOYBYBCUHZSKJT-ZDUSSCGKSA-N	1	0	356.352	1.065	20	30		FDEDRO
CC1(C)COCCN1CC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1	ZINC000573316759	550110122	/nfs/dbraw/zinc/11/01/22/550110122.db2.gz	AHUMHWJJAYOWFR-UHFFFAOYSA-N	1	0	351.472	1.032	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)N[C@@H](C)C[C@H](C)[NH3+])c(C#N)cn1CCOC	ZINC000573684526	550192011	/nfs/dbraw/zinc/19/20/11/550192011.db2.gz	YJLHMNNKJOGMGQ-RYUDHWBXSA-N	1	0	365.434	1.430	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCN(CC(F)(F)F)C2)cc1	ZINC000573794400	550211762	/nfs/dbraw/zinc/21/17/62/550211762.db2.gz	KHYDECSDHVLKAQ-LSDHHAIUSA-N	1	0	357.376	1.719	20	30		FDEDRO
N#CCc1ccc(CNC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)cc1	ZINC000573799778	550213353	/nfs/dbraw/zinc/21/33/53/550213353.db2.gz	AZUADYYANPRJRE-UHFFFAOYSA-N	1	0	355.486	1.768	20	30		FDEDRO
Cc1ccc([C@@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)N2CCOCC2)cc1	ZINC000573901377	550229151	/nfs/dbraw/zinc/22/91/51/550229151.db2.gz	BHJMEAYLHTZCBU-WOJBJXKFSA-N	1	0	360.502	1.164	20	30		FDEDRO
CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000574261652	550285055	/nfs/dbraw/zinc/28/50/55/550285055.db2.gz	RQXXQOMYSIHISE-MRXNPFEDSA-N	1	0	357.458	1.015	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1	ZINC000574565069	550334408	/nfs/dbraw/zinc/33/44/08/550334408.db2.gz	GHHWGXPXBZHXJZ-IBGZPJMESA-N	1	0	367.453	1.630	20	30		FDEDRO
N#CC[C@@H]1CC[C@H](NC(=O)NCCN2CCN(C(=O)C3CCC3)CC2)C1	ZINC000574610258	550341417	/nfs/dbraw/zinc/34/14/17/550341417.db2.gz	WJTVKFDQFKCKHE-RDJZCZTQSA-N	1	0	361.490	1.312	20	30		FDEDRO
COc1cc(CNC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)ccc1C#N	ZINC000574675410	550352126	/nfs/dbraw/zinc/35/21/26/550352126.db2.gz	LCOKYJFEUQEVKV-OAHLLOKOSA-N	1	0	359.474	1.392	20	30		FDEDRO
CC[NH2+]CCCNC(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000574862193	550382491	/nfs/dbraw/zinc/38/24/91/550382491.db2.gz	BGGHKMWNSBIDBI-UHFFFAOYSA-N	1	0	355.360	1.289	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)CCOCc1ccc(C#N)cc1	ZINC000575156255	550435710	/nfs/dbraw/zinc/43/57/10/550435710.db2.gz	MPOZPBSWQKFYLH-IBGZPJMESA-N	1	0	374.485	1.827	20	30		FDEDRO
O=C(NCC#Cc1cccc(F)c1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000575774593	550474649	/nfs/dbraw/zinc/47/46/49/550474649.db2.gz	HLNRLOHMSUDDNC-OAQYLSRUSA-N	1	0	352.409	1.930	20	30		FDEDRO
N#Cc1ccc(N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)nc1N	ZINC000575935415	550493014	/nfs/dbraw/zinc/49/30/14/550493014.db2.gz	SOPBPFQEQZAPFO-IBGZPJMESA-N	1	0	362.481	1.932	20	30		FDEDRO
C[NH+](C)Cc1ccc(CNC(=O)C(=O)Nc2ccc(C#N)cn2)cc1F	ZINC000576007221	550501035	/nfs/dbraw/zinc/50/10/35/550501035.db2.gz	DVJXTMHTCVASLF-UHFFFAOYSA-N	1	0	355.373	1.409	20	30		FDEDRO
CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2cccc(C#N)n2)C1	ZINC000576345241	550538253	/nfs/dbraw/zinc/53/82/53/550538253.db2.gz	RFXQUSLWDDXVIU-AWEZNQCLSA-N	1	0	357.458	1.909	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1	ZINC000576696820	550576228	/nfs/dbraw/zinc/57/62/28/550576228.db2.gz	RNAGEDBEEVVBLD-ZWKOTPCHSA-N	1	0	360.458	1.100	20	30		FDEDRO
COCCn1cc2c(n1)[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)CCC2	ZINC000576745913	550581239	/nfs/dbraw/zinc/58/12/39/550581239.db2.gz	CPIVGNXUBJKDMZ-MJGOQNOKSA-N	1	0	370.453	1.808	20	30		FDEDRO
Cc1cc(N2CCC([NH2+]CCS(=O)(=O)c3cccc(C#N)c3)CC2)n[nH]1	ZINC000576745859	550581383	/nfs/dbraw/zinc/58/13/83/550581383.db2.gz	BGAQKXHMEKDAQE-UHFFFAOYSA-N	1	0	373.482	1.622	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)nn1	ZINC000576747379	550581613	/nfs/dbraw/zinc/58/16/13/550581613.db2.gz	RKQCNLBAHATKMU-GOSISDBHSA-N	1	0	368.485	1.573	20	30		FDEDRO
N#Cc1cccc(NC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)n1	ZINC000576752560	550582097	/nfs/dbraw/zinc/58/20/97/550582097.db2.gz	CFVSMQVKYVQTBA-IRXDYDNUSA-N	1	0	351.410	1.710	20	30		FDEDRO
C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+](C)CCOCc1ccc(C#N)cc1	ZINC000577557871	550669098	/nfs/dbraw/zinc/66/90/98/550669098.db2.gz	YHMOBEYTAGGANP-OAHLLOKOSA-N	1	0	372.469	1.119	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)C1CCN(c2nc(C)cc(C#N)n2)CC1	ZINC000577611096	550675374	/nfs/dbraw/zinc/67/53/74/550675374.db2.gz	JMEWCECBVMKBCD-UHFFFAOYSA-N	1	0	358.490	1.721	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H](CC)C(=O)N1CCOCC1	ZINC000577722093	550687261	/nfs/dbraw/zinc/68/72/61/550687261.db2.gz	GHFCYFURGOEJGI-ROUUACIJSA-N	1	0	362.470	1.382	20	30		FDEDRO
COCc1cc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)ccc1F	ZINC000577742533	550689945	/nfs/dbraw/zinc/68/99/45/550689945.db2.gz	XHHJQWCFISLBJV-UHFFFAOYSA-N	1	0	363.414	1.802	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC1CCC(N2CC[NH2+]CC2)CC1	ZINC000577831972	550699032	/nfs/dbraw/zinc/69/90/32/550699032.db2.gz	AZOILDXBQDCBRH-BFWZDYSYSA-N	1	0	350.507	1.483	20	30		FDEDRO
CC(C)(CNCCS(=O)(=O)c1ccc(C#N)cn1)C[NH+]1CCCC1	ZINC000578316962	550750891	/nfs/dbraw/zinc/75/08/91/550750891.db2.gz	VHINIQWICLHBLG-UHFFFAOYSA-N	1	0	350.488	1.439	20	30		FDEDRO
OC[C@H](NCC#CC[NH2+][C@@H](CO)c1cccc(F)c1)c1cccc(F)c1	ZINC000578531503	550774088	/nfs/dbraw/zinc/77/40/88/550774088.db2.gz	LHHLBXYVYBLGHQ-PMACEKPBSA-N	1	0	360.404	1.914	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1	ZINC000578640329	550786023	/nfs/dbraw/zinc/78/60/23/550786023.db2.gz	TZKGABNQSXUHMK-OCCSQVGLSA-N	1	0	368.840	1.380	20	30		FDEDRO
CCc1ccccc1[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(C#N)cc1OC	ZINC000578739568	550795996	/nfs/dbraw/zinc/79/59/96/550795996.db2.gz	HQIYZESARQVPPP-INIZCTEOSA-N	1	0	366.421	1.884	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccc(C#N)c(Cl)c3)CC2)C1=O	ZINC000578981407	550822384	/nfs/dbraw/zinc/82/23/84/550822384.db2.gz	CDZVOGIHACZIEX-MRXNPFEDSA-N	1	0	360.845	1.637	20	30		FDEDRO
CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc(C)c(C#N)cn1	ZINC000579128529	550839212	/nfs/dbraw/zinc/83/92/12/550839212.db2.gz	MMQJLJKCOAWVMB-MRXNPFEDSA-N	1	0	357.458	1.971	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(S(=O)(=O)CC2(C#N)CCC2)CC1	ZINC000579288472	550856236	/nfs/dbraw/zinc/85/62/36/550856236.db2.gz	ASHBOUQVWUMATC-UHFFFAOYSA-N	1	0	373.519	1.069	20	30		FDEDRO
C[C@H]1CC[NH2+]C[C@H]1NC(=O)NC1CCC(Oc2ncccc2C#N)CC1	ZINC000579333057	550860963	/nfs/dbraw/zinc/86/09/63/550860963.db2.gz	NPAMZBIHOKMREY-YJNKEBTESA-N	1	0	357.458	1.940	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O	ZINC000579582757	550888566	/nfs/dbraw/zinc/88/85/66/550888566.db2.gz	MVACYQUMOXLOEU-XJKSGUPXSA-N	1	0	368.840	1.380	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C	ZINC000579794720	550910098	/nfs/dbraw/zinc/91/00/98/550910098.db2.gz	QOZXNIUKFKAQSE-OAHLLOKOSA-N	1	0	361.494	1.558	20	30		FDEDRO
CC[C@@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1cccc(C#N)n1)c1ccco1	ZINC000580444239	550983144	/nfs/dbraw/zinc/98/31/44/550983144.db2.gz	ZMMPZHRHJCVGGP-TZMCWYRMSA-N	1	0	355.398	1.730	20	30		FDEDRO
CC(C)[NH+](CCNC(=O)C1CCN(c2ncncc2C#N)CC1)C(C)C	ZINC000580558075	550994972	/nfs/dbraw/zinc/99/49/72/550994972.db2.gz	RLXMQSSPWJCTFK-UHFFFAOYSA-N	1	0	358.490	1.800	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)n1cnc(C#N)n1	ZINC000580710931	551010612	/nfs/dbraw/zinc/01/06/12/551010612.db2.gz	UUXKIDNCXXQAKY-BHYGNILZSA-N	1	0	350.426	1.444	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)cc1C#N	ZINC000581322069	551076597	/nfs/dbraw/zinc/07/65/97/551076597.db2.gz	IVNBTYCBHPYRBO-MSOLQXFVSA-N	1	0	374.441	1.906	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)cc1	ZINC000582301645	551204585	/nfs/dbraw/zinc/20/45/85/551204585.db2.gz	OIRVZLICAYVOOO-ICSRJNTNSA-N	1	0	374.481	1.650	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)NCc3ccc(C[NH3+])cc3)CC2)c1	ZINC000582544458	551239355	/nfs/dbraw/zinc/23/93/55/551239355.db2.gz	NVZDKQCEDWMGGT-UHFFFAOYSA-N	1	0	350.426	1.444	20	30		FDEDRO
N#Cc1ccc(OC2CCC(NC(=O)NC[C@@H]3C[NH2+]CCCO3)CC2)nc1	ZINC000583014387	551291114	/nfs/dbraw/zinc/29/11/14/551291114.db2.gz	XJNREUWGENMLJL-JCYILVPMSA-N	1	0	373.457	1.321	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1cccc(C#N)c1	ZINC000583016767	551291404	/nfs/dbraw/zinc/29/14/04/551291404.db2.gz	HFTWVECUWMQCDA-YOEHRIQHSA-N	1	0	350.488	1.870	20	30		FDEDRO
C[C@H]([NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C)c1cccc(C#N)c1	ZINC000583016766	551291487	/nfs/dbraw/zinc/29/14/87/551291487.db2.gz	HFTWVECUWMQCDA-WMLDXEAASA-N	1	0	350.488	1.870	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1	ZINC000583422694	551348506	/nfs/dbraw/zinc/34/85/06/551348506.db2.gz	BHQWWFXWXLLJAY-MSOLQXFVSA-N	1	0	357.454	1.797	20	30		FDEDRO
N#Cc1cccc(NC(=O)C2CCN(C(=O)NCC[C@@H]3CC[NH2+]C3)CC2)c1	ZINC000583554480	551368583	/nfs/dbraw/zinc/36/85/83/551368583.db2.gz	DGKNYIVGTKKRQO-HNNXBMFYSA-N	1	0	369.469	1.918	20	30		FDEDRO
C[C@@H]1C[NH+](C[C@H]2CCCN2Cc2cnc3c(C#N)cnn3c2)C[C@@H](C)O1	ZINC000583631587	551379729	/nfs/dbraw/zinc/37/97/29/551379729.db2.gz	KTGVKISQOCGPAL-IIDMSEBBSA-N	1	0	354.458	1.675	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1	ZINC000583714065	551391586	/nfs/dbraw/zinc/39/15/86/551391586.db2.gz	ZMXNAWNORASTEF-HZPDHXFCSA-N	1	0	351.491	1.322	20	30		FDEDRO
Cc1ccccc1C[N@@H+]1CCCN(C(=O)Cn2cc(C#N)ccc2=O)CC1	ZINC000583764936	551399270	/nfs/dbraw/zinc/39/92/70/551399270.db2.gz	ZLYCWAQQSSDACI-UHFFFAOYSA-N	1	0	364.449	1.763	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@H]3CCC[NH2+]C3)C2=O)cc1	ZINC000583921027	551421109	/nfs/dbraw/zinc/42/11/09/551421109.db2.gz	FUZWUMZXGRTCII-RDJZCZTQSA-N	1	0	355.442	1.352	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCc2c(F)cccc2F)nc1	ZINC000584078412	551443877	/nfs/dbraw/zinc/44/38/77/551443877.db2.gz	GPHOUQACMYVOEV-UHFFFAOYSA-N	1	0	351.378	1.837	20	30		FDEDRO
Cc1cc(C#N)cc(NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)n1	ZINC000585706879	551584960	/nfs/dbraw/zinc/58/49/60/551584960.db2.gz	XYDQSDXSWYNFSK-IBGZPJMESA-N	1	0	363.465	2.571	20	30		FDEDRO
N#CC1CCN(C(=O)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC1	ZINC000585709619	551585334	/nfs/dbraw/zinc/58/53/34/551585334.db2.gz	DWJGYFCBIFENGR-UHFFFAOYSA-N	1	0	368.481	1.572	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCc2ccc(C#N)cc2F)C1	ZINC000586859274	551626756	/nfs/dbraw/zinc/62/67/56/551626756.db2.gz	YDEZAWFMFDXQTC-HNNXBMFYSA-N	1	0	360.433	1.408	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1cccc(C#N)c1	ZINC000587704913	551634177	/nfs/dbraw/zinc/63/41/77/551634177.db2.gz	QEARWSMOUOMBAG-HNNXBMFYSA-N	1	0	363.421	1.479	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1cccc(C#N)c1	ZINC000587705934	551634244	/nfs/dbraw/zinc/63/42/44/551634244.db2.gz	TUWSRTZGGPDELI-NVXWUHKLSA-N	1	0	354.454	1.680	20	30		FDEDRO
CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C1	ZINC000588231414	551660928	/nfs/dbraw/zinc/66/09/28/551660928.db2.gz	CVFMXYLIRWVGTI-AEFFLSMTSA-N	1	0	362.499	1.796	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)n(CCC#N)n1	ZINC000588728281	551680131	/nfs/dbraw/zinc/68/01/31/551680131.db2.gz	XMTCAYHFXUHEOS-LSDHHAIUSA-N	1	0	358.446	1.129	20	30		FDEDRO
COc1ccccc1OCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000589057940	551707267	/nfs/dbraw/zinc/70/72/67/551707267.db2.gz	QZXOQQWZLILZLQ-UHFFFAOYSA-N	1	0	361.423	1.404	20	30		FDEDRO
C[N@@H+]1CC[C@@]2(CCN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)C2)C1	ZINC000589875057	551748820	/nfs/dbraw/zinc/74/88/20/551748820.db2.gz	ORGLWMDESLIXRZ-HXUWFJFHSA-N	1	0	368.485	1.659	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)c1	ZINC000590120005	551761454	/nfs/dbraw/zinc/76/14/54/551761454.db2.gz	CEIPGJZAJFVUCU-LJQANCHMSA-N	1	0	356.470	1.951	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@]3(C2)CCC[N@H+](C)C3)CC1	ZINC000590193177	551763994	/nfs/dbraw/zinc/76/39/94/551763994.db2.gz	ICUJGRFCDSYLTE-UYAOXDASSA-N	1	0	361.534	1.096	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3cccc(OCCCC#N)c3)[C@H]2C1	ZINC000590278450	551769188	/nfs/dbraw/zinc/76/91/88/551769188.db2.gz	GKZMUANTNJMOHY-PBHICJAKSA-N	1	0	356.426	1.470	20	30		FDEDRO
C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C1	ZINC000590337429	551774312	/nfs/dbraw/zinc/77/43/12/551774312.db2.gz	GZBUBEMSUIHSGZ-LJQANCHMSA-N	1	0	353.426	1.273	20	30		FDEDRO
CC(C)C[C@H](NC(=O)c1cc(C#N)cn1C)C(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000590397874	551779827	/nfs/dbraw/zinc/77/98/27/551779827.db2.gz	IANUJDSRQWDIMH-HOTGVXAUSA-N	1	0	359.474	1.204	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC(C[NH+]2CCN(C)CC2)C1	ZINC000590400056	551780472	/nfs/dbraw/zinc/78/04/72/551780472.db2.gz	QVWWICCONSIZKO-FQEVSTJZSA-N	1	0	370.497	1.667	20	30		FDEDRO
C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000590403919	551780736	/nfs/dbraw/zinc/78/07/36/551780736.db2.gz	QBSFPZXKIXZSTK-CZUORRHYSA-N	1	0	364.471	1.043	20	30		FDEDRO
CO[C@@H]1C[C@@H]([N@H+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C12CCC2	ZINC000590761947	551814139	/nfs/dbraw/zinc/81/41/39/551814139.db2.gz	ALJZTMOYDXEZCF-RCCFBDPRSA-N	1	0	362.518	1.568	20	30		FDEDRO
C[C@H]1CCCN(C(=O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)[C@H]1C[NH3+]	ZINC000591583312	551881382	/nfs/dbraw/zinc/88/13/82/551881382.db2.gz	LFMIAGDKSGWPDR-HOTGVXAUSA-N	1	0	369.469	1.051	20	30		FDEDRO
Cc1cc(C)n(-c2ccc(CC[NH2+]C[C@H](O)CN(C)CCC#N)cc2)n1	ZINC000591728022	551904015	/nfs/dbraw/zinc/90/40/15/551904015.db2.gz	CQHSHHXPNFGFDZ-FQEVSTJZSA-N	1	0	355.486	1.828	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1CCCN(Cc2cccs2)C1	ZINC000591728853	551904243	/nfs/dbraw/zinc/90/42/43/551904243.db2.gz	ZRBKDIZNAXZCOY-IAGOWNOFSA-N	1	0	350.532	1.756	20	30		FDEDRO
Cc1cc(C[C@@H](C)[NH2+]C[C@H](O)CN(C)CCC#N)n(-c2ccccc2)n1	ZINC000591756880	551906335	/nfs/dbraw/zinc/90/63/35/551906335.db2.gz	XNBYJEQNLYETFV-UZLBHIALSA-N	1	0	355.486	1.908	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCc3cc(C#N)ccc32)nc1	ZINC000591764268	551907061	/nfs/dbraw/zinc/90/70/61/551907061.db2.gz	BLPIQSZLNJXFRN-QGZVFWFLSA-N	1	0	352.419	1.876	20	30		FDEDRO
CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@](O)(CC#N)C1)Cc1ccccc1	ZINC000591912606	551916103	/nfs/dbraw/zinc/91/61/03/551916103.db2.gz	QCYYCSHDEPKFJA-UYAOXDASSA-N	1	0	358.486	2.000	20	30		FDEDRO
N#CC[C@]1(O)CCN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1	ZINC000591954683	551920128	/nfs/dbraw/zinc/92/01/28/551920128.db2.gz	RKZXAWMYDFOFND-ICSRJNTNSA-N	1	0	356.470	1.611	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)CCO2	ZINC000592185181	551955284	/nfs/dbraw/zinc/95/52/84/551955284.db2.gz	VKWVHFKXPFRIJH-GOSISDBHSA-N	1	0	354.454	1.460	20	30		FDEDRO
CCCN(C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@H]1CC[N@H+](C)C1	ZINC000592300530	551974964	/nfs/dbraw/zinc/97/49/64/551974964.db2.gz	REDFOYANOFMNMW-HNNXBMFYSA-N	1	0	359.474	1.996	20	30		FDEDRO
C[N@@H+]1C[C@@H](CNC(=O)C(=O)Nc2cccc(C#N)c2)[C@H](c2ccccc2)C1	ZINC000592310718	551978055	/nfs/dbraw/zinc/97/80/55/551978055.db2.gz	YHVODDABOJZOCW-MJGOQNOKSA-N	1	0	362.433	1.958	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@@H](O)COc2c(C)cccc2C)CC1	ZINC000592526150	552004820	/nfs/dbraw/zinc/00/48/20/552004820.db2.gz	WJBFOMCOEJSFBZ-GOSISDBHSA-N	1	0	361.486	1.993	20	30		FDEDRO
CCn1cnnc1CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593004849	552052574	/nfs/dbraw/zinc/05/25/74/552052574.db2.gz	YJBPGYLNQGXYOY-UHFFFAOYSA-N	1	0	367.457	1.633	20	30		FDEDRO
Cc1cc(C[N@H+](CCOCCC#N)C2CC2)cc(S(N)(=O)=O)c1C	ZINC000593065345	552057532	/nfs/dbraw/zinc/05/75/32/552057532.db2.gz	ZVQLIXLUMXFEIK-UHFFFAOYSA-N	1	0	351.472	1.846	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NCC(=O)NCC3CC3)CC2)c1	ZINC000593387095	552100589	/nfs/dbraw/zinc/10/05/89/552100589.db2.gz	LTRNEDKRPLMYRQ-UHFFFAOYSA-N	1	0	369.469	1.348	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@H]3CCCC(=O)N3)CC2)c1	ZINC000593398229	552102338	/nfs/dbraw/zinc/10/23/38/552102338.db2.gz	CHWWZRATDKVREL-GOSISDBHSA-N	1	0	369.469	1.491	20	30		FDEDRO
C[C@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ncnn1C	ZINC000593399198	552102745	/nfs/dbraw/zinc/10/27/45/552102745.db2.gz	XVADCGTWSARDBC-AWEZNQCLSA-N	1	0	367.457	1.712	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)NCC2(C#N)CCCC2)(N2CCOCC2)CC1	ZINC000593413937	552105203	/nfs/dbraw/zinc/10/52/03/552105203.db2.gz	HWCBTFQLKMDJKH-UHFFFAOYSA-N	1	0	363.506	1.166	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC[C@](F)(CO)C3)CC2)c1	ZINC000593513562	552120116	/nfs/dbraw/zinc/12/01/16/552120116.db2.gz	KPHWHTWUAWHDJJ-LJQANCHMSA-N	1	0	360.433	1.639	20	30		FDEDRO
CCN(CCOCCO)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593513352	552120184	/nfs/dbraw/zinc/12/01/84/552120184.db2.gz	HTOGWXPVSNMYHZ-UHFFFAOYSA-N	1	0	374.485	1.563	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@@H]3CCC[C@H]3O)CC2)c1	ZINC000593512831	552120220	/nfs/dbraw/zinc/12/02/20/552120220.db2.gz	UUEFAGCUCIDWCA-PKOBYXMFSA-N	1	0	356.470	1.983	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCC[C@](O)(CO)C3)CC2)c1	ZINC000593516290	552121061	/nfs/dbraw/zinc/12/10/61/552121061.db2.gz	MXQFGCTWOJDMMZ-HXUWFJFHSA-N	1	0	372.469	1.051	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(Nc3ncccc3S(N)(=O)=O)CC2)c1	ZINC000593515701	552121246	/nfs/dbraw/zinc/12/12/46/552121246.db2.gz	RHIPYMCQHWUINO-UHFFFAOYSA-N	1	0	371.466	1.677	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C#N)cc2C(=O)OC)C1	ZINC000593538856	552126938	/nfs/dbraw/zinc/12/69/38/552126938.db2.gz	RHSJSCUKDLNUQO-CQSZACIVSA-N	1	0	365.455	1.355	20	30		FDEDRO
CC(C)[C@@H](CNS(=O)(=O)c1ccsc1C#N)N1CC[NH+](C)CC1	ZINC000593552164	552131141	/nfs/dbraw/zinc/13/11/41/552131141.db2.gz	IVBORJBHVMSPEK-CYBMUJFWSA-N	1	0	356.517	1.170	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C	ZINC000593551117	552131193	/nfs/dbraw/zinc/13/11/93/552131193.db2.gz	UODJUZIXFIEMME-SWLSCSKDSA-N	1	0	365.455	1.306	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNS(=O)(=O)c2ccsc2C#N)ccn1	ZINC000593570491	552138523	/nfs/dbraw/zinc/13/85/23/552138523.db2.gz	ZKXWGLSUTZCIFH-UHFFFAOYSA-N	1	0	366.468	1.434	20	30		FDEDRO
N#CCCCS(=O)(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21	ZINC000593636679	552158599	/nfs/dbraw/zinc/15/85/99/552158599.db2.gz	XIGVQUVTAHLGQP-QZTJIDSGSA-N	1	0	363.483	1.595	20	30		FDEDRO
CC[C@H](C#N)C(=O)NCCN(CC[NH+]1CCCCC1)C(=O)[C@H](C#N)CC	ZINC000593702450	552177733	/nfs/dbraw/zinc/17/77/33/552177733.db2.gz	YCSQOYVQVLXIDD-SJORKVTESA-N	1	0	361.490	1.517	20	30		FDEDRO
CN(CCN1CC[NH2+]CC1)S(=O)(=O)c1ccc(C(C)(C)C#N)cc1	ZINC000593732896	552186254	/nfs/dbraw/zinc/18/62/54/552186254.db2.gz	SZHQQTNVSZERBT-UHFFFAOYSA-N	1	0	350.488	1.013	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1	ZINC000593732919	552186268	/nfs/dbraw/zinc/18/62/68/552186268.db2.gz	RHEMKBUMTDVTGJ-ZACQAIPSSA-N	1	0	363.483	1.916	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCC2CC[NH2+]CC2)cc1	ZINC000593762724	552193452	/nfs/dbraw/zinc/19/34/52/552193452.db2.gz	GLPXBRAHOVVEFP-ZDUSSCGKSA-N	1	0	364.471	1.884	20	30		FDEDRO
C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Cn1cnc(C#N)n1	ZINC000593772537	552195436	/nfs/dbraw/zinc/19/54/36/552195436.db2.gz	STJNQWBFZXNEHN-ARFHVFGLSA-N	1	0	352.442	1.660	20	30		FDEDRO
C[C@@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)N1CCN(C)CC1	ZINC000593882882	552216218	/nfs/dbraw/zinc/21/62/18/552216218.db2.gz	NKHLRTSCEOZNFF-KRWDZBQOSA-N	1	0	369.513	1.275	20	30		FDEDRO
CCN1CCO[C@@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000593882348	552216435	/nfs/dbraw/zinc/21/64/35/552216435.db2.gz	INFIGDPDQPEWEU-LJQANCHMSA-N	1	0	356.470	1.360	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cnc4n[nH]nc4c3)CC2)c1	ZINC000593886929	552217892	/nfs/dbraw/zinc/21/78/92/552217892.db2.gz	UDLOXNFEMWGHIP-UHFFFAOYSA-N	1	0	361.409	1.619	20	30		FDEDRO
N#CCCCCNC(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593927384	552227441	/nfs/dbraw/zinc/22/74/41/552227441.db2.gz	CAFGQIOOYMIPGC-UHFFFAOYSA-N	1	0	367.453	1.449	20	30		FDEDRO
C[C@H]1COCCN1C1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000593990267	552235495	/nfs/dbraw/zinc/23/54/95/552235495.db2.gz	AADGXDDLWODPEA-PXNSSMCTSA-N	1	0	373.497	1.677	20	30		FDEDRO
CC(C)OC(=O)C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C(C)C	ZINC000594043494	552242936	/nfs/dbraw/zinc/24/29/36/552242936.db2.gz	LJTHICXAPSBRMA-OAHLLOKOSA-N	1	0	367.471	1.683	20	30		FDEDRO
C[NH+]1CCC(n2ccc(=NC(=O)N3Cc4ccc(C#N)cc4C3)[nH]2)CC1	ZINC000594100305	552248694	/nfs/dbraw/zinc/24/86/94/552248694.db2.gz	WXDQTMJUWCPAFI-UHFFFAOYSA-N	1	0	350.426	2.569	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000594263345	552273084	/nfs/dbraw/zinc/27/30/84/552273084.db2.gz	XQQHMKVNTVYRRY-HNAYVOBHSA-N	1	0	368.481	1.678	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1	ZINC000594283538	552277358	/nfs/dbraw/zinc/27/73/58/552277358.db2.gz	RZKXFHQMWFHTAD-ROUUACIJSA-N	1	0	368.485	1.802	20	30		FDEDRO
Cc1c[nH+]ccc1N1CCC(C(=O)N2CCN(C(=O)CC#N)CC2)CC1	ZINC000594316193	552286079	/nfs/dbraw/zinc/28/60/79/552286079.db2.gz	IGNBRTLQKZWCDY-UHFFFAOYSA-N	1	0	355.442	1.191	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12	ZINC000594325878	552288176	/nfs/dbraw/zinc/28/81/76/552288176.db2.gz	JVGZTGWKEHORAD-HOCLYGCPSA-N	1	0	356.426	1.638	20	30		FDEDRO
C[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000594438437	552309782	/nfs/dbraw/zinc/30/97/82/552309782.db2.gz	NWDMPAAOHHGAOT-CJNGLKHVSA-N	1	0	366.487	1.525	20	30		FDEDRO
COc1cc(OC)cc(N2CC[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C2)c1	ZINC000594438615	552310624	/nfs/dbraw/zinc/31/06/24/552310624.db2.gz	KPNGYONTBAAQBN-KDOFPFPSSA-N	1	0	360.458	1.810	20	30		FDEDRO
CN1CCN(C(=O)c2ccccc2NC(=O)[C@H]([NH3+])CCCCC#N)CC1	ZINC000594441033	552311268	/nfs/dbraw/zinc/31/12/68/552311268.db2.gz	LJVSCILDEGMAJZ-MRXNPFEDSA-N	1	0	357.458	1.424	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1	ZINC000594445279	552311584	/nfs/dbraw/zinc/31/15/84/552311584.db2.gz	COOQHTXACRRCRV-QGZVFWFLSA-N	1	0	372.469	1.513	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1	ZINC000594445102	552311680	/nfs/dbraw/zinc/31/16/80/552311680.db2.gz	PDGUWQIDWRWRFX-INIZCTEOSA-N	1	0	362.861	1.922	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1	ZINC000594445769	552312329	/nfs/dbraw/zinc/31/23/29/552312329.db2.gz	LQEPVRAVLIMSTE-OWSLCNJRSA-N	1	0	354.454	1.671	20	30		FDEDRO
COc1ccc(CN2CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC2)cc1F	ZINC000594445807	552312381	/nfs/dbraw/zinc/31/23/81/552312381.db2.gz	MJQUZMRAYYDWEX-QGZVFWFLSA-N	1	0	362.449	1.890	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H]([NH2+]C3CCN([C@H]4CCOC4)CC3)C2=O)cc1	ZINC000594500291	552326765	/nfs/dbraw/zinc/32/67/65/552326765.db2.gz	MGXZNVRZDWZNEJ-VQTJNVASSA-N	1	0	368.481	1.502	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC2)c1C#N	ZINC000594524070	552327781	/nfs/dbraw/zinc/32/77/81/552327781.db2.gz	HUIJXCFNVZTWMZ-SNVBAGLBSA-N	1	0	362.381	1.044	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(F)c1	ZINC000594621189	552342819	/nfs/dbraw/zinc/34/28/19/552342819.db2.gz	RNMBSDBLPZZAOD-SJORKVTESA-N	1	0	358.417	1.447	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)NC3(CC[NH2+]CC3)C2=O)c(C(F)(F)F)c1	ZINC000594695413	552356845	/nfs/dbraw/zinc/35/68/45/552356845.db2.gz	FVUPYDPZDAUNIC-UHFFFAOYSA-N	1	0	352.316	1.751	20	30		FDEDRO
C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000594803130	552391100	/nfs/dbraw/zinc/39/11/00/552391100.db2.gz	JPXUKYZDMGPHKW-ZDUSSCGKSA-N	1	0	356.467	1.248	20	30		FDEDRO
N#CC1(CS(=O)(=O)NCC2CC[NH+](C3CCOCC3)CC2)CCCC1	ZINC000594805073	552391424	/nfs/dbraw/zinc/39/14/24/552391424.db2.gz	SNZIJZXXEGZAKU-UHFFFAOYSA-N	1	0	369.531	1.881	20	30		FDEDRO
N#Cc1sccc1S(=O)(=O)NCC1CC[NH+](C2CCOCC2)CC1	ZINC000594805097	552391435	/nfs/dbraw/zinc/39/14/35/552391435.db2.gz	TXPBBIRAKZSUTC-UHFFFAOYSA-N	1	0	369.512	1.789	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(C(F)F)nc1	ZINC000595002974	552435864	/nfs/dbraw/zinc/43/58/64/552435864.db2.gz	ALDSKZKVIWAZJO-UHFFFAOYSA-N	1	0	353.373	1.652	20	30		FDEDRO
C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H](CC#N)C2)c1	ZINC000595085513	552447603	/nfs/dbraw/zinc/44/76/03/552447603.db2.gz	JTYNWTORBUQPIB-HNNXBMFYSA-N	1	0	358.442	1.718	20	30		FDEDRO
Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC[C@@H]1C[NH2+]CCO1	ZINC000595109990	552453941	/nfs/dbraw/zinc/45/39/41/552453941.db2.gz	ZSZOGLKTSJRKTI-LBPRGKRZSA-N	1	0	351.453	1.348	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1C#N	ZINC000595112488	552454623	/nfs/dbraw/zinc/45/46/23/552454623.db2.gz	BQDAOJBSILGBHW-LXZKKBNFSA-N	1	0	364.471	1.169	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1C#N	ZINC000595112490	552454744	/nfs/dbraw/zinc/45/47/44/552454744.db2.gz	BQDAOJBSILGBHW-YSVLISHTSA-N	1	0	364.471	1.169	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1	ZINC000595129260	552460687	/nfs/dbraw/zinc/46/06/87/552460687.db2.gz	LMQQSRRDRGPUDJ-UHFFFAOYSA-N	1	0	353.532	1.889	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC[C@](C)(C#N)C1	ZINC000595146662	552467322	/nfs/dbraw/zinc/46/73/22/552467322.db2.gz	FYFNGEJPTOHPAW-LJQANCHMSA-N	1	0	360.433	1.478	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CCCCC1	ZINC000595183464	552481441	/nfs/dbraw/zinc/48/14/41/552481441.db2.gz	RYEXEKSCXFVRAP-UHFFFAOYSA-N	1	0	352.398	1.796	20	30		FDEDRO
C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@](C)(C#N)C2)cc1F	ZINC000595212208	552492096	/nfs/dbraw/zinc/49/20/96/552492096.db2.gz	IHCRGBHCKPZCFJ-GOSISDBHSA-N	1	0	362.405	1.467	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CCO1	ZINC000595234839	552500631	/nfs/dbraw/zinc/50/06/31/552500631.db2.gz	GNIAONATJUESKQ-HNNXBMFYSA-N	1	0	362.405	1.205	20	30		FDEDRO
CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N	ZINC000595240659	552502815	/nfs/dbraw/zinc/50/28/15/552502815.db2.gz	UTURTMQZYJMRKV-UHFFFAOYSA-N	1	0	367.409	1.880	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1C#N	ZINC000595242190	552503585	/nfs/dbraw/zinc/50/35/85/552503585.db2.gz	JCBKRRQYSUPVDV-GJZGRUSLSA-N	1	0	357.414	1.121	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)c1ccc(C#N)cc1	ZINC000595279732	552511062	/nfs/dbraw/zinc/51/10/62/552511062.db2.gz	RIQSJROTODJKQF-DNVCBOLYSA-N	1	0	368.481	1.974	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)NCCC[NH2+]Cc2cccnc2)CCCCC1	ZINC000595280988	552511192	/nfs/dbraw/zinc/51/11/92/552511192.db2.gz	CQNGIDSSILQDLO-UHFFFAOYSA-N	1	0	357.458	1.268	20	30		FDEDRO
C[NH+](C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)c1ccc(C#N)cc1	ZINC000595404509	552551538	/nfs/dbraw/zinc/55/15/38/552551538.db2.gz	ZWBZPOJUYYVTPD-MRXNPFEDSA-N	1	0	363.483	1.822	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2C#N)CCO1	ZINC000595405072	552551653	/nfs/dbraw/zinc/55/16/53/552551653.db2.gz	SJKZZMSWUJZRCL-ZDUSSCGKSA-N	1	0	371.890	1.943	20	30		FDEDRO
CC(C)C[NH2+]C1(CO)CCN(CCC(=O)Nc2cccc(C#N)c2)CC1	ZINC000595513298	552576497	/nfs/dbraw/zinc/57/64/97/552576497.db2.gz	UEGIIUNROPPWPL-UHFFFAOYSA-N	1	0	358.486	1.959	20	30		FDEDRO
N#Cc1cccc(OCCC[NH+]2CCC(NC(=O)N3CCOCC3)CC2)c1	ZINC000595549937	552582786	/nfs/dbraw/zinc/58/27/86/552582786.db2.gz	MYNMFNBNPKRWNC-UHFFFAOYSA-N	1	0	372.469	1.833	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](Cn2ccnn2)C1	ZINC000595607947	552591822	/nfs/dbraw/zinc/59/18/22/552591822.db2.gz	LXFAZFWYAXINQN-SJORKVTESA-N	1	0	352.442	1.935	20	30		FDEDRO
CO[C@]1(CO)CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000595660336	552598815	/nfs/dbraw/zinc/59/88/15/552598815.db2.gz	FLOLKXYAIZNWPI-GOSISDBHSA-N	1	0	363.483	1.910	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH+]1CCC(CCC(=O)OC(C)(C)C)CC1	ZINC000595718695	552606036	/nfs/dbraw/zinc/60/60/36/552606036.db2.gz	VIORINLDDDUKKG-UHFFFAOYSA-N	1	0	353.463	1.832	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1	ZINC000595718997	552606359	/nfs/dbraw/zinc/60/63/59/552606359.db2.gz	VDWRFIIJJAKKFQ-DNVCBOLYSA-N	1	0	350.459	1.477	20	30		FDEDRO
C[C@@H](O)[C@H]1CCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000595765871	552612960	/nfs/dbraw/zinc/61/29/60/552612960.db2.gz	KQMKQEBTVGOFBB-ATZDWAIDSA-N	1	0	374.460	1.380	20	30		FDEDRO
N#Cc1cccc(C2([NH2+]CC(=O)NCc3cccnc3)CCOCC2)c1	ZINC000595764139	552612976	/nfs/dbraw/zinc/61/29/76/552612976.db2.gz	DYJAPKQZXPBHTI-UHFFFAOYSA-N	1	0	350.422	1.865	20	30		FDEDRO
C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000595845914	552622508	/nfs/dbraw/zinc/62/25/08/552622508.db2.gz	WKGUOYOONZDPMM-IYBDPMFKSA-N	1	0	355.442	1.686	20	30		FDEDRO
CCOC(=O)CC1([NH2+]C[C@H](O)COc2ccc(C#N)cc2)CCOCC1	ZINC000595888007	552629046	/nfs/dbraw/zinc/62/90/46/552629046.db2.gz	OXVACBGVOPIKJQ-INIZCTEOSA-N	1	0	362.426	1.390	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(CC(=O)N(CCC#N)c2ccccc2)CCO1	ZINC000595907778	552631735	/nfs/dbraw/zinc/63/17/35/552631735.db2.gz	YCFCVDUEHIAYNF-LJQANCHMSA-N	1	0	358.486	1.976	20	30		FDEDRO
N#Cc1sccc1N1CCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1	ZINC000595938044	552635911	/nfs/dbraw/zinc/63/59/11/552635911.db2.gz	KJEUIVGRLHURTG-OAHLLOKOSA-N	1	0	370.482	1.703	20	30		FDEDRO
CN1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1	ZINC000595948519	552637114	/nfs/dbraw/zinc/63/71/14/552637114.db2.gz	MCSYLUYYVLIMKK-RTBURBONSA-N	1	0	357.502	1.330	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CCN(C(=O)CC4(C[NH3+])CC4)CC3)n[nH]2)cc1	ZINC000595969389	552639893	/nfs/dbraw/zinc/63/98/93/552639893.db2.gz	FEDFHUBTDGCIGH-UHFFFAOYSA-N	1	0	364.453	1.726	20	30		FDEDRO
C[NH2+]C[C@@H](C)C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595969329	552640016	/nfs/dbraw/zinc/64/00/16/552640016.db2.gz	DOWJWMYJVWBFDZ-CQSZACIVSA-N	1	0	352.442	1.452	20	30		FDEDRO
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N[C@@]2(C)CC[NH2+]C2)c1C	ZINC000596128368	552658357	/nfs/dbraw/zinc/65/83/57/552658357.db2.gz	GJGNEWYUKTUJIU-IBGZPJMESA-N	1	0	366.425	1.168	20	30		FDEDRO
N#Cc1cc2cccnc2nc1N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000596175685	552662449	/nfs/dbraw/zinc/66/24/49/552662449.db2.gz	VMCDPAYGQZUJLK-MRXNPFEDSA-N	1	0	350.426	1.420	20	30		FDEDRO
C=CC[N@H+](C[C@H](O)Cn1cccn1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000596213396	552665445	/nfs/dbraw/zinc/66/54/45/552665445.db2.gz	KHYIQTVFMQFVQP-QAPCUYQASA-N	1	0	353.430	1.469	20	30		FDEDRO
C=CC[N@@H+](CCCN1C(=O)CNC1=O)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000596213542	552665655	/nfs/dbraw/zinc/66/56/55/552665655.db2.gz	VBQLHJQEMBJYGV-CQSZACIVSA-N	1	0	369.429	1.153	20	30		FDEDRO
C[NH+]1CCN(CCOc2ccc(-c3cnc4c(C#N)cnn4c3)cc2)CC1	ZINC000596630191	552695367	/nfs/dbraw/zinc/69/53/67/552695367.db2.gz	ZICTZLOHIVRRIS-UHFFFAOYSA-N	1	0	362.437	1.894	20	30		FDEDRO
Cn1cncc1[C@@H]1C[C@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000596975373	552730757	/nfs/dbraw/zinc/73/07/57/552730757.db2.gz	RZKVBPHAPWLKRT-QZTJIDSGSA-N	1	0	351.454	1.986	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1)c1ccc(C#N)cc1	ZINC000597184126	552758707	/nfs/dbraw/zinc/75/87/07/552758707.db2.gz	GVJDEAXCXKSBQY-JKSUJKDBSA-N	1	0	356.470	1.972	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c(F)c1	ZINC000597242288	552764566	/nfs/dbraw/zinc/76/45/66/552764566.db2.gz	JYARNDACSRSGLN-MRXNPFEDSA-N	1	0	372.444	1.837	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@@H]3CC34CC[NH2+]CC4)CC2)c1C#N	ZINC000597439376	552789459	/nfs/dbraw/zinc/78/94/59/552789459.db2.gz	IEMCHVUFLLUIDV-CQSZACIVSA-N	1	0	360.487	1.297	20	30		FDEDRO
CC(C)C[C@H](NC(=O)c1cnccc1C#N)C(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000597691427	552822604	/nfs/dbraw/zinc/82/26/04/552822604.db2.gz	BFISGUHNOYGOPH-WBVHZDCISA-N	1	0	357.458	1.260	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCC[C@@H](N3CCOCC3)C2)cc1	ZINC000597708609	552824676	/nfs/dbraw/zinc/82/46/76/552824676.db2.gz	CSOWBFIFNQKXCO-WOJBJXKFSA-N	1	0	368.481	1.850	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1	ZINC000598221453	552876349	/nfs/dbraw/zinc/87/63/49/552876349.db2.gz	VKJWGGGOGSVTNX-QGZVFWFLSA-N	1	0	354.454	1.811	20	30		FDEDRO
C[NH+](C)CCn1ccc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)n1	ZINC000598248594	552878486	/nfs/dbraw/zinc/87/84/86/552878486.db2.gz	LPIOQAAUMQJUKT-UHFFFAOYSA-N	1	0	367.453	1.752	20	30		FDEDRO
N#Cc1cc(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cnc1C(F)(F)F	ZINC000598451295	552896672	/nfs/dbraw/zinc/89/66/72/552896672.db2.gz	SNRMIVZWBLFGFU-AWEZNQCLSA-N	1	0	368.359	1.643	20	30		FDEDRO
CC[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C[C@H](C)[NH2+]1	ZINC000598531690	552906308	/nfs/dbraw/zinc/90/63/08/552906308.db2.gz	ORLYYAXRUYAWAP-GOEBONIOSA-N	1	0	363.483	1.977	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CCO1	ZINC000598540554	552907524	/nfs/dbraw/zinc/90/75/24/552907524.db2.gz	PNMMLXVENMAFHB-OALUTQOASA-N	1	0	354.454	1.810	20	30		FDEDRO
CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(=O)n2nc(N)[nH]c2n1	ZINC000598590875	552912537	/nfs/dbraw/zinc/91/25/37/552912537.db2.gz	RPAYBVQKFDQNJC-UHFFFAOYSA-N	1	0	351.414	1.360	20	30		FDEDRO
CN1CCN([C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)c2cccs2)CC1	ZINC000598703361	552926965	/nfs/dbraw/zinc/92/69/65/552926965.db2.gz	GZIXGEGLVPXTIZ-HOTGVXAUSA-N	1	0	350.532	1.927	20	30		FDEDRO
COC(=O)CCNC(=O)CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000599003797	552956829	/nfs/dbraw/zinc/95/68/29/552956829.db2.gz	DUBHNUFLGUJMSU-UHFFFAOYSA-N	1	0	372.469	1.182	20	30		FDEDRO
CC(C)(CCC#N)CNC(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1	ZINC000599058510	552963358	/nfs/dbraw/zinc/96/33/58/552963358.db2.gz	HPPOJROBMGOGML-QGZVFWFLSA-N	1	0	359.474	1.912	20	30		FDEDRO
Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCC1([NH3+])CCOCC1	ZINC000599100404	552967591	/nfs/dbraw/zinc/96/75/91/552967591.db2.gz	DDNWZAPTCMVYCH-UHFFFAOYSA-N	1	0	365.480	1.868	20	30		FDEDRO
COc1cccc(N2CC[NH+](C[C@H](O)CC3(C#N)CCOCC3)CC2)c1	ZINC000599252733	553003395	/nfs/dbraw/zinc/00/33/95/553003395.db2.gz	ZJEJNSVAZLFDBI-GOSISDBHSA-N	1	0	359.470	1.889	20	30		FDEDRO
COC(=O)C[C@@H]1CCCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O	ZINC000599279426	553013379	/nfs/dbraw/zinc/01/33/79/553013379.db2.gz	ONOYNULIPJBQPE-HNNXBMFYSA-N	1	0	354.406	1.704	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)CCOCC1	ZINC000599281744	553014468	/nfs/dbraw/zinc/01/44/68/553014468.db2.gz	KHTBFPPLXDZWCP-QZTJIDSGSA-N	1	0	357.454	1.621	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)CCOCC1	ZINC000599352918	553035294	/nfs/dbraw/zinc/03/52/94/553035294.db2.gz	SFXMNUZLRVDBHL-HOTGVXAUSA-N	1	0	359.474	1.933	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)CCOCC1	ZINC000599381251	553041244	/nfs/dbraw/zinc/04/12/44/553041244.db2.gz	JDZZCHBJFNACHY-MGPUTAFESA-N	1	0	355.438	1.654	20	30		FDEDRO
COC(=O)C[C@](C)([NH2+]C[C@@H](O)COc1ccccc1C#N)c1ccncc1	ZINC000599417470	553052615	/nfs/dbraw/zinc/05/26/15/553052615.db2.gz	MUXXMAASSJEXIZ-XLIONFOSSA-N	1	0	369.421	1.761	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)CCOCC1	ZINC000599427843	553054592	/nfs/dbraw/zinc/05/45/92/553054592.db2.gz	YCANIPQUFMSBIF-OALUTQOASA-N	1	0	371.481	1.491	20	30		FDEDRO
C[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C[C@H]1C[C@@H](O)C1	ZINC000599656493	553114663	/nfs/dbraw/zinc/11/46/63/553114663.db2.gz	VYTGYCNSLNCHJT-XHSDSOJGSA-N	1	0	362.499	1.160	20	30		FDEDRO
CCC1(N2CCOCC2)CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000599668606	553117540	/nfs/dbraw/zinc/11/75/40/553117540.db2.gz	HSVSTKDOXZWVTF-LJQANCHMSA-N	1	0	373.497	1.875	20	30		FDEDRO
CCC1([NH+]2CCOCC2)CCN(CC(=O)NCc2ccc(C#N)cc2)CC1	ZINC000599669460	553117580	/nfs/dbraw/zinc/11/75/80/553117580.db2.gz	LUWXHDYIZZEKPD-UHFFFAOYSA-N	1	0	370.497	1.751	20	30		FDEDRO
N#Cc1ccc(Cc2cnc(NC(=O)NCC[N@H+]3CC[C@@H](O)C3)s2)cc1	ZINC000599714249	553128180	/nfs/dbraw/zinc/12/81/80/553128180.db2.gz	IXRKXVWKLHEVRT-OAHLLOKOSA-N	1	0	371.466	1.794	20	30		FDEDRO
N#CCCN(Cc1ccco1)C(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2	ZINC000599876383	553165117	/nfs/dbraw/zinc/16/51/17/553165117.db2.gz	GZKHVWIMZHDDJY-UHFFFAOYSA-N	1	0	368.393	1.643	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1C#N	ZINC000599890989	553168842	/nfs/dbraw/zinc/16/88/42/553168842.db2.gz	JENBLMPKSJIMRI-MRXNPFEDSA-N	1	0	356.426	1.685	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1	ZINC000599903501	553171602	/nfs/dbraw/zinc/17/16/02/553171602.db2.gz	GIGOWYYARDGKKL-KRWDZBQOSA-N	1	0	356.426	1.114	20	30		FDEDRO
N#Cc1cccnc1OC1CCC(NC(=O)NCCOCCC[NH3+])CC1	ZINC000599917881	553173930	/nfs/dbraw/zinc/17/39/30/553173930.db2.gz	LCBMMDCDZVKLCK-UHFFFAOYSA-N	1	0	361.446	1.308	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1	ZINC000599939729	553179328	/nfs/dbraw/zinc/17/93/28/553179328.db2.gz	YODWSKYNHPRKFM-LMMKCTJWSA-N	1	0	357.454	1.629	20	30		FDEDRO
N#Cc1cccc(-c2cc(C(=O)N3CC[C@H]([N@@H+]4CC[C@H](O)C4)C3)on2)c1	ZINC000599939415	553179448	/nfs/dbraw/zinc/17/94/48/553179448.db2.gz	IIZRUSVDIXPCJU-HOTGVXAUSA-N	1	0	352.394	1.494	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N(C)CCCC[NH+](C)C)c(F)cc1C#N	ZINC000599970590	553189101	/nfs/dbraw/zinc/18/91/01/553189101.db2.gz	SWJDWSCYUMHSRD-UHFFFAOYSA-N	1	0	350.394	1.445	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c(F)cc1C#N	ZINC000599991151	553195151	/nfs/dbraw/zinc/19/51/51/553195151.db2.gz	JILGMFTZELXOIW-LBPRGKRZSA-N	1	0	362.405	1.633	20	30		FDEDRO
N#C[C@@H](CO)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1	ZINC000600002118	553197615	/nfs/dbraw/zinc/19/76/15/553197615.db2.gz	MPFCLBQWSFDXPM-GVDBMIGSSA-N	1	0	355.463	1.964	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]Cc2cccc(CN3CCOCC3)c2)CCOCC1	ZINC000600717174	553306317	/nfs/dbraw/zinc/30/63/17/553306317.db2.gz	ONMXPZCVKXYZIT-HXUWFJFHSA-N	1	0	373.497	1.680	20	30		FDEDRO
COc1cccc([C@@H](C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)N(C)C)c1	ZINC000600715565	553306382	/nfs/dbraw/zinc/30/63/82/553306382.db2.gz	SSXRMNVOJMJXSB-IEBWSBKVSA-N	1	0	361.486	1.959	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)CCOCC1	ZINC000600715521	553306429	/nfs/dbraw/zinc/30/64/29/553306429.db2.gz	SRFLCOGUNBIUCY-VQTJNVASSA-N	1	0	373.497	1.548	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCNC(=O)c1ccccc1F	ZINC000600722214	553306978	/nfs/dbraw/zinc/30/69/78/553306978.db2.gz	ZMDMQXMVSSJUHA-HNNXBMFYSA-N	1	0	357.385	1.457	20	30		FDEDRO
CC(=O)N1CCN(c2ccccc2C[NH2+]C[C@H](O)CC2(C#N)CC2)CC1	ZINC000600721250	553307102	/nfs/dbraw/zinc/30/71/02/553307102.db2.gz	BTAYRCZNZUNSDC-GOSISDBHSA-N	1	0	356.470	1.499	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]CCNC(=O)c2ccccc2Cl)CCOCC1	ZINC000600720451	553307224	/nfs/dbraw/zinc/30/72/24/553307224.db2.gz	YLZKMFACPOOXKR-CQSZACIVSA-N	1	0	365.861	1.731	20	30		FDEDRO
C[C@@H]1CN(C(C)(C)C[NH2+]C[C@H](O)COc2ccccc2C#N)C[C@H](C)O1	ZINC000600720498	553307263	/nfs/dbraw/zinc/30/72/63/553307263.db2.gz	ZFPRLJVXHCAMMV-JZXOWHBKSA-N	1	0	361.486	1.775	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]CCS(=O)(=O)c2ccccc2)CCOCC1	ZINC000600723576	553307595	/nfs/dbraw/zinc/30/75/95/553307595.db2.gz	XKHHBDKXXYFGJW-OAHLLOKOSA-N	1	0	352.456	1.121	20	30		FDEDRO
CCc1cc(N2CCC([NH2+]C[C@H](O)CC3(C#N)CCOCC3)CC2)ncn1	ZINC000600730653	553308582	/nfs/dbraw/zinc/30/85/82/553308582.db2.gz	RDTQEIXCMQQUGE-GOSISDBHSA-N	1	0	373.501	1.669	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]CC2CCN(CC(F)(F)F)CC2)CCOCC1	ZINC000600734025	553308909	/nfs/dbraw/zinc/30/89/09/553308909.db2.gz	NDOHWZAZORUCDB-HNNXBMFYSA-N	1	0	363.424	1.922	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H](O)COc1ccc(F)cc1	ZINC000600745120	553310404	/nfs/dbraw/zinc/31/04/04/553310404.db2.gz	QXPZCMDLFDWGKY-DLBZAZTESA-N	1	0	360.385	1.467	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H](O)COc1ccc(F)cc1	ZINC000600745135	553310457	/nfs/dbraw/zinc/31/04/57/553310457.db2.gz	QXPZCMDLFDWGKY-IRXDYDNUSA-N	1	0	360.385	1.467	20	30		FDEDRO
CN1C(=O)c2ccccc2[C@H]1C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000600756774	553311868	/nfs/dbraw/zinc/31/18/68/553311868.db2.gz	PJIDOKFOJBAJDH-OXQOHEQNSA-N	1	0	365.433	1.909	20	30		FDEDRO
N#CC1(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC2(CC2)C1	ZINC000601041080	553343067	/nfs/dbraw/zinc/34/30/67/553343067.db2.gz	DSBTVUQKMQAOKD-UHFFFAOYSA-N	1	0	368.485	1.579	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ncc(C#N)c3ccsc32)CC1	ZINC000601130524	553350978	/nfs/dbraw/zinc/35/09/78/553350978.db2.gz	MDNLYDOWPJFLJI-OAHLLOKOSA-N	1	0	355.467	1.911	20	30		FDEDRO
N#CCc1ccccc1S(=O)(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1	ZINC000601341918	553379959	/nfs/dbraw/zinc/37/99/59/553379959.db2.gz	LVKGUEIZANBMHU-GVDBMIGSSA-N	1	0	363.483	1.660	20	30		FDEDRO
Cc1cc(F)cc(C#N)c1S(=O)(=O)NCCC[N@@H+]1CCCO[C@H](C)C1	ZINC000601403887	553396035	/nfs/dbraw/zinc/39/60/35/553396035.db2.gz	PMVKYRSSSHWLBZ-CQSZACIVSA-N	1	0	369.462	1.785	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1C	ZINC000601419468	553400650	/nfs/dbraw/zinc/40/06/50/553400650.db2.gz	JWSVXDBFONIQQA-RCCFBDPRSA-N	1	0	354.454	1.900	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1	ZINC000601520708	553427200	/nfs/dbraw/zinc/42/72/00/553427200.db2.gz	JALYROABKGGOCJ-KRWDZBQOSA-N	1	0	350.488	1.639	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCCn1cnc(C#N)n1	ZINC000601600360	553443315	/nfs/dbraw/zinc/44/33/15/553443315.db2.gz	CDZBECKWQLTUDE-DOTOQJQBSA-N	1	0	367.457	1.217	20	30		FDEDRO
C[C@](O)(C[C@@H](O)C[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CC1	ZINC000601962769	553496585	/nfs/dbraw/zinc/49/65/85/553496585.db2.gz	APYHHFJPVLMDLW-HBFSDRIKSA-N	1	0	357.454	1.161	20	30		FDEDRO
C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)Nc3cc(F)cc(C#N)c3)C2)CC1	ZINC000602028230	553503753	/nfs/dbraw/zinc/50/37/53/553503753.db2.gz	AHAKRRAGLNMWKN-OAHLLOKOSA-N	1	0	358.417	1.826	20	30		FDEDRO
CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cc(F)cc(C#N)c1	ZINC000602029079	553504078	/nfs/dbraw/zinc/50/40/78/553504078.db2.gz	BGPLSAYPNOXDPB-HNNXBMFYSA-N	1	0	350.394	1.109	20	30		FDEDRO
CN1CC[C@@](C)(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1=O	ZINC000602178023	553534439	/nfs/dbraw/zinc/53/44/39/553534439.db2.gz	TZOVZFHNGJUYIE-FQEVSTJZSA-N	1	0	354.454	1.507	20	30		FDEDRO
C[NH+]1CCN(Cc2cccc(C(=O)N3CCN(CCC#N)CC3)c2)CC1	ZINC000602208547	553540456	/nfs/dbraw/zinc/54/04/56/553540456.db2.gz	QCCIFKMDXVXFMC-UHFFFAOYSA-N	1	0	355.486	1.105	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N1CCC(CC)([NH+]2CCOCC2)CC1	ZINC000602241074	553546389	/nfs/dbraw/zinc/54/63/89/553546389.db2.gz	ZIKBLRUFMAIATG-UHFFFAOYSA-N	1	0	369.531	1.125	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCCCCC#N	ZINC000602246844	553547883	/nfs/dbraw/zinc/54/78/83/553547883.db2.gz	SVBGDKGFUIFKIL-SJLPKXTDSA-N	1	0	356.470	1.681	20	30		FDEDRO
COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)Cc2ccc(C#N)nc2)cc1	ZINC000602528640	553599255	/nfs/dbraw/zinc/59/92/55/553599255.db2.gz	SFFMTSBXPPAYJC-OALUTQOASA-N	1	0	350.422	1.766	20	30		FDEDRO
N#CCc1cccc2c1CCN(C(=O)c1cn(C[C@@H]3CCC[NH2+]3)nn1)C2	ZINC000602574754	553607017	/nfs/dbraw/zinc/60/70/17/553607017.db2.gz	ZHKXUICKMRWEQB-INIZCTEOSA-N	1	0	350.426	1.295	20	30		FDEDRO
C[NH+](C)CCNS(=O)(=O)c1cccc(NCc2cccc(C#N)n2)c1	ZINC000602649523	553618168	/nfs/dbraw/zinc/61/81/68/553618168.db2.gz	KZCJQNMCIFWHMC-UHFFFAOYSA-N	1	0	359.455	1.405	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1	ZINC000602701686	553624984	/nfs/dbraw/zinc/62/49/84/553624984.db2.gz	WZHRAGBLLJXSEA-CABCVRRESA-N	1	0	364.467	1.910	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CCN2CCCN(c3cc[nH+]cc3)CC2)cc1	ZINC000602845916	553649266	/nfs/dbraw/zinc/64/92/66/553649266.db2.gz	NBZVVEBKJNVNSI-UHFFFAOYSA-N	1	0	370.478	1.939	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1	ZINC000602923347	553669995	/nfs/dbraw/zinc/66/99/95/553669995.db2.gz	HZEBVXWERJTTAJ-YVWKXTFCSA-N	1	0	354.406	1.422	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1	ZINC000602924331	553670363	/nfs/dbraw/zinc/67/03/63/553670363.db2.gz	OLKDYOJOWOORKQ-CGTJXYLNSA-N	1	0	357.454	1.842	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(CCO)(CCO)CC2)cc1	ZINC000602965285	553682473	/nfs/dbraw/zinc/68/24/73/553682473.db2.gz	BMSKJIZELSSWOR-GOSISDBHSA-N	1	0	362.470	1.339	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)Nc2ccnc(C#N)c2)CC1	ZINC000603134391	553713461	/nfs/dbraw/zinc/71/34/61/553713461.db2.gz	ACNMVPICULXBOG-UHFFFAOYSA-N	1	0	351.414	1.422	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)Cn2cc(CC3(C#N)CCCCC3)nn2)CC1	ZINC000603181067	553724226	/nfs/dbraw/zinc/72/42/26/553724226.db2.gz	GGDZCDCNMPVTFZ-UHFFFAOYSA-N	1	0	358.490	1.895	20	30		FDEDRO
COC[C@@H]([NH3+])Cc1cn(Cc2ccc(Br)cc2C#N)nn1	ZINC000603240696	553740662	/nfs/dbraw/zinc/74/06/62/553740662.db2.gz	CGPXWXHGUHSGSD-ZDUSSCGKSA-N	1	0	350.220	1.477	20	30		FDEDRO
N#Cc1ccc(Cn2cc(CCN3CC[NH2+]CC3)nn2)c(C(F)(F)F)c1	ZINC000603250742	553743086	/nfs/dbraw/zinc/74/30/86/553743086.db2.gz	LNMPUJUCQNVNME-UHFFFAOYSA-N	1	0	364.375	1.665	20	30		FDEDRO
COC(=O)[C@H]1CN(c2cc(C#N)c(Br)cn2)CC[N@H+](C)C1	ZINC000603399080	553779660	/nfs/dbraw/zinc/77/96/60/553779660.db2.gz	GTZORSALROBWKO-LLVKDONJSA-N	1	0	353.220	1.257	20	30		FDEDRO
CCC1([NH+](C)C)CCN(c2ccc(C#N)cc2CS(N)(=O)=O)CC1	ZINC000603417413	553783335	/nfs/dbraw/zinc/78/33/35/553783335.db2.gz	ZAFFBZLSMDUXOG-UHFFFAOYSA-N	1	0	350.488	1.657	20	30		FDEDRO
N#Cc1ccc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)c([N+](=O)[O-])c1	ZINC000603421802	553784144	/nfs/dbraw/zinc/78/41/44/553784144.db2.gz	CYIMSZLLGSKNHD-MRXNPFEDSA-N	1	0	359.430	1.675	20	30		FDEDRO
N#Cc1cnc2ccccc2c1N[C@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000603423889	553784748	/nfs/dbraw/zinc/78/47/48/553784748.db2.gz	QKVABWUFRVLUSE-SFHVURJKSA-N	1	0	365.481	1.737	20	30		FDEDRO
C[C@@]1(C#N)CCCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1	ZINC000603436612	553788247	/nfs/dbraw/zinc/78/82/47/553788247.db2.gz	QQJVLYSBNHVTTO-HKUYNNGSSA-N	1	0	363.506	1.118	20	30		FDEDRO
Cc1sc2ncn(CCC(=O)NC3(C#N)CC[NH+](C)CC3)c(=O)c2c1C	ZINC000603670936	553809036	/nfs/dbraw/zinc/80/90/36/553809036.db2.gz	OMERIYDLFAKUHN-UHFFFAOYSA-N	1	0	373.482	1.569	20	30		FDEDRO
Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1	ZINC000604436265	553877829	/nfs/dbraw/zinc/87/78/29/553877829.db2.gz	JGJCAIKJVQJOMG-MOPGFXCFSA-N	1	0	370.449	1.944	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCC2CC[NH+](C)CC2)cc1	ZINC000606114090	554046557	/nfs/dbraw/zinc/04/65/57/554046557.db2.gz	CINOHAKLGWHFIL-UHFFFAOYSA-N	1	0	373.457	1.391	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC000608866995	554326310	/nfs/dbraw/zinc/32/63/10/554326310.db2.gz	GIQHMDPSMLPTBD-GDBMZVCRSA-N	1	0	358.442	1.029	20	30		FDEDRO
N#Cc1ccc(CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(F)c1	ZINC000609240369	554351691	/nfs/dbraw/zinc/35/16/91/554351691.db2.gz	CYFVUFCKUHKWJR-OAHLLOKOSA-N	1	0	361.421	1.084	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H](C)CN1CC[NH+](C)CC1	ZINC000609311712	554363197	/nfs/dbraw/zinc/36/31/97/554363197.db2.gz	TYPSJFOMYCVQID-APWZRJJASA-N	1	0	358.486	1.714	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(C(N)=O)(c2ccccc2)CC1	ZINC000609672352	554409751	/nfs/dbraw/zinc/40/97/51/554409751.db2.gz	GATCHLAAGYLPFG-INIZCTEOSA-N	1	0	356.470	1.514	20	30		FDEDRO
C[C@H](NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(C#N)cc1	ZINC000609685069	554411808	/nfs/dbraw/zinc/41/18/08/554411808.db2.gz	PYMAIDAHJOONMO-LPHOPBHVSA-N	1	0	371.485	1.325	20	30		FDEDRO
CC[NH+]1CCN(CC(=O)N2CCCN(c3ccccc3C#N)CC2)CC1	ZINC000610258878	554483005	/nfs/dbraw/zinc/48/30/05/554483005.db2.gz	IODBHPIXIYXFGC-UHFFFAOYSA-N	1	0	355.486	1.234	20	30		FDEDRO
N#Cc1ccc(CNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(F)c1	ZINC000610426203	554504164	/nfs/dbraw/zinc/50/41/64/554504164.db2.gz	HOYZGMLHMSRYJD-FQEVSTJZSA-N	1	0	353.397	1.951	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@@H](N2CCC[N@H+](C[C@H]3CCCO3)CC2)C1=O	ZINC000610582161	554534174	/nfs/dbraw/zinc/53/41/74/554534174.db2.gz	DGHCUCHJFVMEFJ-IAGOWNOFSA-N	1	0	374.510	1.912	20	30		FDEDRO
N#CCN1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1	ZINC000610860232	554572000	/nfs/dbraw/zinc/57/20/00/554572000.db2.gz	BEIZZTONQFPKOM-QZTJIDSGSA-N	1	0	363.506	1.041	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1	ZINC000610869603	554572567	/nfs/dbraw/zinc/57/25/67/554572567.db2.gz	XOFKCHRCTSGRAX-UHFFFAOYSA-N	1	0	360.377	1.736	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1	ZINC000610902745	554578807	/nfs/dbraw/zinc/57/88/07/554578807.db2.gz	RZBDTYYHLTVEID-QGZVFWFLSA-N	1	0	370.453	1.519	20	30		FDEDRO
COC(=O)c1cccc(CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1C#N	ZINC000611244292	554619128	/nfs/dbraw/zinc/61/91/28/554619128.db2.gz	PDEODCJOYIVMTH-GOSISDBHSA-N	1	0	370.453	1.259	20	30		FDEDRO
COC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000611371357	554629210	/nfs/dbraw/zinc/62/92/10/554629210.db2.gz	BLSPFMRQPYNXQG-DLBZAZTESA-N	1	0	364.490	1.096	20	30		FDEDRO
C[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C[C@H](O)C1CC1	ZINC000611430297	554632901	/nfs/dbraw/zinc/63/29/01/554632901.db2.gz	WJIFSQGWTHJVHK-OALUTQOASA-N	1	0	374.460	1.237	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C(C)(C)CO	ZINC000611430340	554632907	/nfs/dbraw/zinc/63/29/07/554632907.db2.gz	WRXZIOZWLUWAEN-CQSZACIVSA-N	1	0	350.488	1.160	20	30		FDEDRO
Cc1cc(=NC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)[nH]n1CCC#N	ZINC000611481831	554636767	/nfs/dbraw/zinc/63/67/67/554636767.db2.gz	ACDXBWOIQVTJRO-NVXWUHKLSA-N	1	0	373.505	1.595	20	30		FDEDRO
Cn1cc(C[NH2+]CCCN2CCCS2(=O)=O)c(-c2ccc(C#N)cc2)n1	ZINC000611497942	554638302	/nfs/dbraw/zinc/63/83/02/554638302.db2.gz	LCARUMHUCGOCTH-UHFFFAOYSA-N	1	0	373.482	1.474	20	30		FDEDRO
CC(=O)NC1CCC([N@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000612181352	554746839	/nfs/dbraw/zinc/74/68/39/554746839.db2.gz	CGDARXBTNLWGRK-ACBHZAAOSA-N	1	0	359.470	1.871	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)n1	ZINC000612840375	554848517	/nfs/dbraw/zinc/84/85/17/554848517.db2.gz	SWGHMQRIKFZFCR-DOTOQJQBSA-N	1	0	354.458	1.412	20	30		FDEDRO
CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000613246190	554903932	/nfs/dbraw/zinc/90/39/32/554903932.db2.gz	ZNFKFBIKACHNGI-QZTJIDSGSA-N	1	0	350.507	1.472	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1	ZINC000613304746	554911170	/nfs/dbraw/zinc/91/11/70/554911170.db2.gz	MVJQYJYSWQYTOY-UHFFFAOYSA-N	1	0	365.393	1.249	20	30		FDEDRO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[N@H+](CCO)C(C)(C)C1	ZINC000614920730	555137220	/nfs/dbraw/zinc/13/72/20/555137220.db2.gz	PEPYMVPUJYZTQW-GNZRSQJKSA-N	1	0	364.534	1.694	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000618841531	555687758	/nfs/dbraw/zinc/68/77/58/555687758.db2.gz	XZMDWRIWRQQHTF-VQIMIIECSA-N	1	0	354.454	1.909	20	30		FDEDRO
C[N@@H+]1CCCN(CCCNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1	ZINC000619374663	555769062	/nfs/dbraw/zinc/76/90/62/555769062.db2.gz	OKUFFZHQKGJIMY-LJQANCHMSA-N	1	0	353.470	1.384	20	30		FDEDRO
CN(CCN(C)S(=O)(=O)c1cccc(CC#N)c1)C1CC[NH+](C)CC1	ZINC000619477575	555783733	/nfs/dbraw/zinc/78/37/33/555783733.db2.gz	IYUNYAXGWGZLJM-UHFFFAOYSA-N	1	0	364.515	1.399	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCS[C@H]2COCC[C@H]21	ZINC000625220183	556745996	/nfs/dbraw/zinc/74/59/96/556745996.db2.gz	HNKQJLTXFWLCKY-SJORKVTESA-N	1	0	356.447	1.492	20	30		FDEDRO
CC(C)[C@H]([NH2+]CC#CCN1C(=O)c2ccccc2C1=O)[C@H](O)C(F)(F)F	ZINC000625412962	556798893	/nfs/dbraw/zinc/79/88/93/556798893.db2.gz	CNWJNWZYZBVKCD-GJZGRUSLSA-N	1	0	368.355	1.823	20	30		FDEDRO
CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000625530694	556842502	/nfs/dbraw/zinc/84/25/02/556842502.db2.gz	SACYOJZPKCDVAQ-FRQCXROJSA-N	1	0	370.449	1.442	20	30		FDEDRO
C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C[NH2+]1	ZINC000626888277	557215174	/nfs/dbraw/zinc/21/51/74/557215174.db2.gz	KLZZABODORLSNV-KXBFYZLASA-N	1	0	362.433	1.677	20	30		FDEDRO
C=CCc1cc(CNC(=O)NC2(C[NH3+])CCOCC2)cc(OC)c1OC	ZINC000626958316	557241800	/nfs/dbraw/zinc/24/18/00/557241800.db2.gz	NSLVBMFEJPRLFS-UHFFFAOYSA-N	1	0	363.458	1.739	20	30		FDEDRO
C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccnn2C2CC[NH+](CC)CC2)C1	ZINC000627734546	557482864	/nfs/dbraw/zinc/48/28/64/557482864.db2.gz	WKNGKKMCSQSPCO-OAHLLOKOSA-N	1	0	359.474	1.903	20	30		FDEDRO
C=CCN(CCc1ccco1)S(=O)(=O)CCCN1CC[NH+](C)CC1	ZINC000632187942	558112393	/nfs/dbraw/zinc/11/23/93/558112393.db2.gz	IDOCNUUHNMDFBZ-UHFFFAOYSA-N	1	0	355.504	1.277	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N(CC)C2CC[NH+](C)CC2)c1	ZINC000632408033	558148963	/nfs/dbraw/zinc/14/89/63/558148963.db2.gz	PKYCVMACPDMSEM-UHFFFAOYSA-N	1	0	365.499	1.707	20	30		FDEDRO
C=CCn1c(COCCOC)nnc1N1CC[NH+](Cc2ccccc2)CC1	ZINC000634339055	558452032	/nfs/dbraw/zinc/45/20/32/558452032.db2.gz	VZNRSUGYSBRYSX-UHFFFAOYSA-N	1	0	371.485	1.949	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)N[C@H]2CCOC3(CCOCC3)C2)CCSC1	ZINC000330258482	567882385	/nfs/dbraw/zinc/88/23/85/567882385.db2.gz	MMCLMJMJGUBPFG-HOCLYGCPSA-N	1	0	357.520	1.656	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)N(C)CC[NH+](C)C)c(C#N)cn1CCOC	ZINC000481398279	567889999	/nfs/dbraw/zinc/88/99/99/567889999.db2.gz	JBHWFRVPWBCGTL-UHFFFAOYSA-N	1	0	365.434	1.208	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1	ZINC000636935094	568209992	/nfs/dbraw/zinc/20/99/92/568209992.db2.gz	AKVLGIFNJPZIOP-SZMVWBNQSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(CC)([NH+](C)C)CC1	ZINC000636936307	568213097	/nfs/dbraw/zinc/21/30/97/568213097.db2.gz	MELKBNJCTAYZDB-JKSUJKDBSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1	ZINC000644844307	568216408	/nfs/dbraw/zinc/21/64/08/568216408.db2.gz	SCNGULIDBJYKNA-QZTJIDSGSA-N	1	0	365.518	1.663	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CSc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000735375748	598930473	/nfs/dbraw/zinc/93/04/73/598930473.db2.gz	QXXJAKTVNKFYDS-UHFFFAOYSA-N	1	0	370.482	1.563	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@H](C)CC(=O)Nc1cccc(C(=O)OC)c1	ZINC000272900364	674486949	/nfs/dbraw/zinc/48/69/49/674486949.db2.gz	UZFLPHXXMXGDPY-CYBMUJFWSA-N	1	0	368.455	1.381	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1ccc(-c2nn[nH]n2)cc1F	ZINC000825937439	608035785	/nfs/dbraw/zinc/03/57/85/608035785.db2.gz	FAGLEEDPAWQPFW-UHFFFAOYSA-N	1	0	355.381	1.247	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=NOCc2cccc(-c3nn[nH]n3)c2)cc1	ZINC000825870531	608153312	/nfs/dbraw/zinc/15/33/12/608153312.db2.gz	QFRAYMHBXQCJGY-UHFFFAOYSA-N	1	0	351.414	1.765	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+](C)[C@@H](C)C[S@@](C)=O)c(OC)c1	ZINC000274437877	674592190	/nfs/dbraw/zinc/59/21/90/674592190.db2.gz	IISLXVBXXHUWMV-GMBGOVJBSA-N	1	0	355.500	1.862	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)NCCC[N@@H+]1CCCO[C@H](C)C1	ZINC000277852909	675053722	/nfs/dbraw/zinc/05/37/22/675053722.db2.gz	MTAYMHQXTGSQQM-OAHLLOKOSA-N	1	0	351.472	1.646	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNS(=O)(=O)c2cc(C#N)ccc2Cl)CCCO1	ZINC000278079977	675089847	/nfs/dbraw/zinc/08/98/47/675089847.db2.gz	ZXQXKGCCXKSILI-ZDUSSCGKSA-N	1	0	371.890	1.991	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2ccc(S(N)(=O)=O)cc2C)CC1	ZINC000278249321	675111979	/nfs/dbraw/zinc/11/19/79/675111979.db2.gz	MKKNQWKVBGKNOW-UHFFFAOYSA-N	1	0	366.487	1.092	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[N@H+](C)CC2)cc1	ZINC000278654017	675167981	/nfs/dbraw/zinc/16/79/81/675167981.db2.gz	PZXLTJJPPFWLJE-ZDUSSCGKSA-N	1	0	350.444	1.542	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2csc(CC)n2)CC1	ZINC000286624330	675897585	/nfs/dbraw/zinc/89/75/85/675897585.db2.gz	MBUMVYVDGHOKNI-LBPRGKRZSA-N	1	0	350.488	1.649	20	30		FDEDRO
CN(Cc1ccc(F)cc1)C(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CC1	ZINC000073783347	671404437	/nfs/dbraw/zinc/40/44/37/671404437.db2.gz	ADBHYWRTSMFVOY-AWEZNQCLSA-N	1	0	353.463	1.800	20	30		FDEDRO
CN(C)S(=O)(=O)c1ccc(CON=C(N)C[NH+]2CCCCCC2)cc1	ZINC000120281655	671687252	/nfs/dbraw/zinc/68/72/52/671687252.db2.gz	QBCCHUDVLXCMOZ-UHFFFAOYSA-N	1	0	368.503	1.602	20	30		FDEDRO
CCCS(=O)(=O)N1CCCC[C@H]1C(=O)O[C@@H](C)C#CC[NH+](CC)CC	ZINC000121517662	671706367	/nfs/dbraw/zinc/70/63/67/671706367.db2.gz	DXTPQVKZPMGPAO-IRXDYDNUSA-N	1	0	372.531	1.858	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)N1CCS[C@@H](CC)C1	ZINC000123654636	671728432	/nfs/dbraw/zinc/72/84/32/671728432.db2.gz	CHGGUCFAQUSVAN-KBPBESRZSA-N	1	0	362.565	1.061	20	30		FDEDRO
C[NH+](C)CCCOC1CCN(S(=O)(=O)c2cccc(F)c2C#N)CC1	ZINC000125163070	671745351	/nfs/dbraw/zinc/74/53/51/671745351.db2.gz	UPJNVMDFCDBJPV-UHFFFAOYSA-N	1	0	369.462	1.819	20	30		FDEDRO
[NH2+]=C(NC[C@@]1(CCO)CCOC1)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000126138587	671756015	/nfs/dbraw/zinc/75/60/15/671756015.db2.gz	LJKDXOIQVXYNCC-GOSISDBHSA-N	1	0	366.893	1.566	20	30		FDEDRO
[NH2+]=C(NCCNS(=O)(=O)c1ccc(Cl)s1)NC1CCCCC1	ZINC000130679896	671796699	/nfs/dbraw/zinc/79/66/99/671796699.db2.gz	MFKRREHPKCJUBF-UHFFFAOYSA-N	1	0	364.924	1.917	20	30		FDEDRO
C[NH+]=C(NCCNS(=O)(=O)c1ccc(Cl)s1)NC1CCCC1	ZINC000157957929	671975152	/nfs/dbraw/zinc/97/51/52/671975152.db2.gz	YOJMYYGFOROPJJ-UHFFFAOYSA-N	1	0	364.924	1.787	20	30		FDEDRO
C[NH+]=C(NC[C@@H](C)N(C)c1ccccc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158580317	671981120	/nfs/dbraw/zinc/98/11/20/671981120.db2.gz	UCLKMUPMWFTBDU-OAHLLOKOSA-N	1	0	366.531	1.596	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1	ZINC000171737909	672058405	/nfs/dbraw/zinc/05/84/05/672058405.db2.gz	XMIHYWKKYCYFED-OAHLLOKOSA-N	1	0	352.479	1.945	20	30		FDEDRO
CCOC(=O)N1CCC([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)CC1	ZINC000186427214	672272196	/nfs/dbraw/zinc/27/21/96/672272196.db2.gz	JPWNPSYERKYCSJ-KSSFIOAISA-N	1	0	352.479	1.887	20	30		FDEDRO
C#CCCS(=O)(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1	ZINC000288442640	676006990	/nfs/dbraw/zinc/00/69/90/676006990.db2.gz	UPILRLOVQBRWSN-UHFFFAOYSA-N	1	0	353.463	1.410	20	30		FDEDRO
CCOC1CC(CNC(NCc2ccco2)=[NH+]C)(N2CCOCC2)C1	ZINC000193743165	672373189	/nfs/dbraw/zinc/37/31/89/672373189.db2.gz	PUNAWKZTNCXXEJ-UHFFFAOYSA-N	1	0	350.463	1.215	20	30		FDEDRO
CC(C)(C)OC(=O)NC[C@@H]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)C1	ZINC000245201069	672439250	/nfs/dbraw/zinc/43/92/50/672439250.db2.gz	OEOPPXALFBBUMP-SCLBCKFNSA-N	1	0	350.463	1.641	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC[C@H]1O	ZINC000249582206	672572696	/nfs/dbraw/zinc/57/26/96/672572696.db2.gz	RNPIEVIXLNPZIA-OWCLPIDISA-N	1	0	362.499	1.160	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCCC[NH+]2CCCCC2)c1	ZINC000253376434	672598117	/nfs/dbraw/zinc/59/81/17/672598117.db2.gz	TWZJAXVFUXGSQS-UHFFFAOYSA-N	1	0	365.499	1.757	20	30		FDEDRO
CN(C[C@@H]1CCOC1)C(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CCCC1	ZINC000261614344	672636152	/nfs/dbraw/zinc/63/61/52/672636152.db2.gz	GJSNFXIFMFJSKQ-CABCVRRESA-N	1	0	357.520	1.278	20	30		FDEDRO
CC[NH+]=C(NC[C@H]1COCCO1)N(C)Cc1cc(Br)cn1C	ZINC000261694250	672652913	/nfs/dbraw/zinc/65/29/13/672652913.db2.gz	FKVIOMNUICORSD-AWEZNQCLSA-N	1	0	373.295	1.600	20	30		FDEDRO
C[NH+]=C(NCc1cccc(NS(C)(=O)=O)c1)N(C)C[C@H]1CCOC1	ZINC000261729437	672660259	/nfs/dbraw/zinc/66/02/59/672660259.db2.gz	XWSJMIXBLOYKDG-CQSZACIVSA-N	1	0	354.476	1.102	20	30		FDEDRO
C[NH+]=C(NCCS(C)(=O)=O)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1	ZINC000261805047	672674595	/nfs/dbraw/zinc/67/45/95/672674595.db2.gz	RWJQDXMUVZSLRH-SWLSCSKDSA-N	1	0	357.451	1.208	20	30		FDEDRO
CC[C@@]1(C)CCN(C(NCCNS(=O)(=O)c2cccs2)=[NH+]C)C1	ZINC000261805319	672675291	/nfs/dbraw/zinc/67/52/91/672675291.db2.gz	RYWFICUVYSPWRI-HNNXBMFYSA-N	1	0	358.533	1.724	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)N(C)CCc1cccs1	ZINC000261838544	672681227	/nfs/dbraw/zinc/68/12/27/672681227.db2.gz	WICQTBBJEURYLG-ZDUSSCGKSA-N	1	0	358.533	1.079	20	30		FDEDRO
CC[NH+]=C(NCCc1cccc(OC)c1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261937931	672697643	/nfs/dbraw/zinc/69/76/43/672697643.db2.gz	CYCYXTFZONZVTR-UHFFFAOYSA-N	1	0	367.515	1.712	20	30		FDEDRO
CCCNC(=[NH2+])NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1	ZINC000261967617	672703817	/nfs/dbraw/zinc/70/38/17/672703817.db2.gz	BZAHKECERKJBBJ-CQSZACIVSA-N	1	0	352.504	1.922	20	30		FDEDRO
CC[NH+]=C(NC[C@]1(O)CCSC1)N1CC[C@H](C)[C@@H](n2ccnc2)C1	ZINC000261976006	672705140	/nfs/dbraw/zinc/70/51/40/672705140.db2.gz	NQYQERDFSCCZCS-YQQAZPJKSA-N	1	0	351.520	1.600	20	30		FDEDRO
C[NH+]=C(NCCOc1ccc(OC)cc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261998951	672709256	/nfs/dbraw/zinc/70/92/56/672709256.db2.gz	TVLPKNSJZPOXCG-UHFFFAOYSA-N	1	0	369.487	1.158	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCS(=O)(=O)C(C)(C)C1	ZINC000262000483	672709733	/nfs/dbraw/zinc/70/97/33/672709733.db2.gz	UGVZBTITGNYHRT-ZNMIVQPWSA-N	1	0	369.531	1.419	20	30		FDEDRO
Cc1nnc(CNC(N[C@@H]2CCO[C@@]3(CCSC3)C2)=[NH+]C2CC2)n1C	ZINC000262006942	672710471	/nfs/dbraw/zinc/71/04/71/672710471.db2.gz	VVAXNNUFFMKOGA-PBHICJAKSA-N	1	0	364.519	1.376	20	30		FDEDRO
CC[NH+]=C(NC[C@]1(O)CCSC1)N1CC[C@H](Oc2ccccn2)C1	ZINC000262021671	672713228	/nfs/dbraw/zinc/71/32/28/672713228.db2.gz	YYGZWNYMXIGWAA-WMLDXEAASA-N	1	0	350.488	1.368	20	30		FDEDRO
COCC[NH2+]CCNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000262248643	672754351	/nfs/dbraw/zinc/75/43/51/672754351.db2.gz	IJNFMRNCMDHBGU-UHFFFAOYSA-N	1	0	351.350	1.091	20	30		FDEDRO
CC[C@H](C)[NH+]=C(NCC(=O)N(C)C)N1CCC[C@H](C2(C)OCCO2)C1	ZINC000262259210	672756815	/nfs/dbraw/zinc/75/68/15/672756815.db2.gz	DJTZITCXNSAMLT-GJZGRUSLSA-N	1	0	354.495	1.294	20	30		FDEDRO
C[C@@H]1CCCN(C(=[NH2+])NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000262291310	672762839	/nfs/dbraw/zinc/76/28/39/672762839.db2.gz	BWIFMDNQIUKJMQ-GFCCVEGCSA-N	1	0	354.432	1.415	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@H]1CCOC2(CCSCC2)C1)=[NH+]C1CC1	ZINC000262318869	672768746	/nfs/dbraw/zinc/76/87/46/672768746.db2.gz	RKOUSKFOOLGKRC-AWEZNQCLSA-N	1	0	354.520	1.217	20	30		FDEDRO
CC[NH+]=C(NC[C@@]1(O)CCSC1)N(C)Cc1ccc2c(c1)OCO2	ZINC000262332657	672771786	/nfs/dbraw/zinc/77/17/86/672771786.db2.gz	BGQGDKAIMTTZAQ-KRWDZBQOSA-N	1	0	351.472	1.681	20	30		FDEDRO
C[C@]1(CNC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCCC2)CCCO1	ZINC000262345691	672774282	/nfs/dbraw/zinc/77/42/82/672774282.db2.gz	DGCPFLFIDYAKHE-MAUKXSAKSA-N	1	0	371.547	1.858	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(N[C@@H]2CCOC3(CCCC3)C2)=[NH+]C2CC2)C1	ZINC000262353883	672775510	/nfs/dbraw/zinc/77/55/10/672775510.db2.gz	FMYNWHKYRGXVNU-GDBMZVCRSA-N	1	0	369.531	1.611	20	30		FDEDRO
CC(C)CN1CCN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C(C)C)CC1	ZINC000262371914	672778450	/nfs/dbraw/zinc/77/84/50/672778450.db2.gz	ISJQLAUNQRWMEM-INIZCTEOSA-N	1	0	358.552	1.049	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NCc1cn2cc(Br)cc(C)c2n1	ZINC000262392500	672781913	/nfs/dbraw/zinc/78/19/13/672781913.db2.gz	RVLOYMPBCJJOIC-JTQLQIEISA-N	1	0	354.252	1.844	20	30		FDEDRO
C=CCNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CCS[C@@H](C(C)C)C1	ZINC000262395337	672782734	/nfs/dbraw/zinc/78/27/34/672782734.db2.gz	MWMGLATXUMKPBJ-LSDHHAIUSA-N	1	0	359.561	1.626	20	30		FDEDRO
CC[NH+]=C(NCC1(SC)CCOCC1)NC1CCN(C(C)=O)CC1	ZINC000262427898	672787891	/nfs/dbraw/zinc/78/78/91/672787891.db2.gz	RXORJWCYCHBOLK-UHFFFAOYSA-N	1	0	356.536	1.465	20	30		FDEDRO
CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCc2ncsc2C1	ZINC000262448670	672791062	/nfs/dbraw/zinc/79/10/62/672791062.db2.gz	VPZCZQPPGPEBIW-LBPRGKRZSA-N	1	0	356.517	1.292	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCO[C@@H](C(C)(C)C)C1	ZINC000262471387	672795218	/nfs/dbraw/zinc/79/52/18/672795218.db2.gz	ZATJLFIAGIWYHZ-RRFJBIMHSA-N	1	0	359.536	1.570	20	30		FDEDRO
CN1CC[NH+]=C1NCCNS(=O)(=O)c1cccc(Cl)c1Cl	ZINC000262633211	672822169	/nfs/dbraw/zinc/82/21/69/672822169.db2.gz	GBVIMZLDNUILIS-UHFFFAOYSA-N	1	0	351.259	1.163	20	30		FDEDRO
[NH2+]=C(NCCC1CCS(=O)(=O)CC1)Nc1ccc2c(c1)OCCCO2	ZINC000262638602	672823241	/nfs/dbraw/zinc/82/32/41/672823241.db2.gz	HIQYQAXASWPVAF-UHFFFAOYSA-N	1	0	367.471	1.789	20	30		FDEDRO
C[NH+]=C(NC[C@@]1(O)CCSC1)NCC1(N2CCOCC2)CCCCC1	ZINC000262714767	672834073	/nfs/dbraw/zinc/83/40/73/672834073.db2.gz	DIHNPNXNBDPDAV-SFHVURJKSA-N	1	0	370.563	1.055	20	30		FDEDRO
C[NH+]=C(NCCc1nc(C(F)(F)F)cs1)N[C@@H]1CCC(=O)N(C)C1	ZINC000262745943	672840452	/nfs/dbraw/zinc/84/04/52/672840452.db2.gz	AKDZCRDETCAEFK-SECBINFHSA-N	1	0	363.409	1.490	20	30		FDEDRO
C[C@H]1OCC[C@@]1(O)CNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1	ZINC000262918403	672854411	/nfs/dbraw/zinc/85/44/11/672854411.db2.gz	ZEBNDYAQIDDZOU-CXAGYDPISA-N	1	0	352.866	1.317	20	30		FDEDRO
Cn1cc(I)c(CNC(=[NH2+])NC2CCCCC2)n1	ZINC000263034888	672858977	/nfs/dbraw/zinc/85/89/77/672858977.db2.gz	BQKQXGQKIZXFGH-UHFFFAOYSA-N	1	0	361.231	1.762	20	30		FDEDRO
CCS(=O)(=O)c1ccc(CC(=O)N(CCC#N)CCC[NH+](C)C)cc1	ZINC000264075717	672900261	/nfs/dbraw/zinc/90/02/61/672900261.db2.gz	ZIDLLHIWMCSWEM-UHFFFAOYSA-N	1	0	365.499	1.717	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NC[C@H](O)COc1cccc(Cl)c1Cl	ZINC000264098531	672901031	/nfs/dbraw/zinc/90/10/31/672901031.db2.gz	NDUIPYYXYFYWFT-ZJUUUORDSA-N	1	0	350.246	1.672	20	30		FDEDRO
C=CCOc1cccc(C[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)c1	ZINC000264782173	672924974	/nfs/dbraw/zinc/92/49/74/672924974.db2.gz	YMWGFHIQMSTCHW-SFHVURJKSA-N	1	0	368.499	1.830	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C	ZINC000265807368	672993277	/nfs/dbraw/zinc/99/32/77/672993277.db2.gz	OEEAQEBDPQDMJL-UHFFFAOYSA-N	1	0	365.499	1.909	20	30		FDEDRO
C#CCCS(=O)(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1	ZINC000289180774	676102474	/nfs/dbraw/zinc/10/24/74/676102474.db2.gz	NHVOCVPEXLENKZ-UHFFFAOYSA-N	1	0	350.484	1.646	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+](C)C[C@@H](C)C(=O)NC)c(OC)c1	ZINC000267046392	673239958	/nfs/dbraw/zinc/23/99/58/673239958.db2.gz	FBRGQRXRYXBRBS-GDBMZVCRSA-N	1	0	350.459	1.477	20	30		FDEDRO
CO[C@H](CNC(=[NH2+])NCCCN1CCOCC1)c1ccc(Cl)cc1	ZINC000267405303	673300447	/nfs/dbraw/zinc/30/04/47/673300447.db2.gz	GWKCTBYDLHJODP-MRXNPFEDSA-N	1	0	354.882	1.654	20	30		FDEDRO
CCc1nnc(CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)s1	ZINC000290483357	676209179	/nfs/dbraw/zinc/20/91/79/676209179.db2.gz	GGZYMGUHWHITKS-UHFFFAOYSA-N	1	0	354.480	1.468	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000281753954	675554394	/nfs/dbraw/zinc/55/43/94/675554394.db2.gz	JISQNQNSDBRTDG-AEFFLSMTSA-N	1	0	364.515	1.919	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000281813968	675563528	/nfs/dbraw/zinc/56/35/28/675563528.db2.gz	SAJNJUUHRHWBEX-WBVHZDCISA-N	1	0	350.488	1.529	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000282478274	675629616	/nfs/dbraw/zinc/62/96/16/675629616.db2.gz	XLALXZVUWQUOEF-SOLBZPMBSA-N	1	0	364.515	1.823	20	30		FDEDRO
C=CCc1cc(C[NH2+]CC2(OCCO)CCOCC2)cc(OC)c1O	ZINC000282717203	675638961	/nfs/dbraw/zinc/63/89/61/675638961.db2.gz	QCHRNDNJYLDKSB-UHFFFAOYSA-N	1	0	351.443	1.777	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)NCc1nccs1)C(C)C	ZINC000284007005	675666869	/nfs/dbraw/zinc/66/68/69/675666869.db2.gz	KKINNGNSLDONPC-AWEZNQCLSA-N	1	0	350.488	1.574	20	30		FDEDRO
CC[C@@](C)(C#N)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1	ZINC000286071075	675868383	/nfs/dbraw/zinc/86/83/83/675868383.db2.gz	MMQBMMVEJIYDGP-INIZCTEOSA-N	1	0	352.460	1.405	20	30		FDEDRO
C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3c(F)cc(C#N)cc3F)C2)C1	ZINC000292922723	676328268	/nfs/dbraw/zinc/32/82/68/676328268.db2.gz	YEVVQWHKCQPKOV-INIZCTEOSA-N	1	0	355.410	1.943	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1	ZINC000293193724	676337628	/nfs/dbraw/zinc/33/76/28/676337628.db2.gz	DNIBMZNGAOLHAY-UHFFFAOYSA-N	1	0	355.435	1.165	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1nc2c(s1)C[C@@H](CC)CC2	ZINC000293264040	676340972	/nfs/dbraw/zinc/34/09/72/676340972.db2.gz	FFECBQHVPBYMMB-ZDUSSCGKSA-N	1	0	362.499	1.668	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Br)cc1F	ZINC000293400598	676349761	/nfs/dbraw/zinc/34/97/61/676349761.db2.gz	OJQASQMIHPWXDM-UHFFFAOYSA-N	1	0	370.222	1.598	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H](C)C[C@H]2C[NH3+])ccc1F	ZINC000293747835	676363438	/nfs/dbraw/zinc/36/34/38/676363438.db2.gz	VRWGZNZZEINBQV-JSGCOSHPSA-N	1	0	369.462	1.489	20	30		FDEDRO
C=CCn1c(=O)c2ccc(C(=O)NCC(C)(C)[NH+](C)C)cc2[n-]c1=S	ZINC000298082804	676432916	/nfs/dbraw/zinc/43/29/16/676432916.db2.gz	MHNVDQBSCPSGPP-UHFFFAOYSA-N	1	0	360.483	1.941	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1	ZINC000298950760	676506517	/nfs/dbraw/zinc/50/65/17/676506517.db2.gz	CTWXNNHPDQIIOY-DLBZAZTESA-N	1	0	361.467	1.216	20	30		FDEDRO
CS(=O)(=O)c1ccc(NCCNC(=[NH2+])NCC2CCC2)c([N+](=O)[O-])c1	ZINC000303773179	676542705	/nfs/dbraw/zinc/54/27/05/676542705.db2.gz	FFCLEFOIQQMTFI-UHFFFAOYSA-N	1	0	369.447	1.115	20	30		FDEDRO
[NH2+]=C(NCCCN1CCCC1=O)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000303720692	676542910	/nfs/dbraw/zinc/54/29/10/676542910.db2.gz	WVQDSSOCCRFXRB-UHFFFAOYSA-N	1	0	363.893	1.789	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCCNc1nc2ccccc2s1	ZINC000303873831	676543348	/nfs/dbraw/zinc/54/33/48/676543348.db2.gz	GXIUXNPWGUFHTA-UHFFFAOYSA-N	1	0	362.503	1.335	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@@](C)(O)c2ccsc2)CC1	ZINC000304785346	676544600	/nfs/dbraw/zinc/54/46/00/676544600.db2.gz	HZGNXGXKWBNBBK-QGZVFWFLSA-N	1	0	368.503	1.823	20	30		FDEDRO
CC1(C)NC(=O)CC[C@@H]1NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000328759035	676605463	/nfs/dbraw/zinc/60/54/63/676605463.db2.gz	WLHMHAGIDRTADD-HIFRSBDPSA-N	1	0	352.479	1.888	20	30		FDEDRO
C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CC[C@@H]2OCCN(C)[C@H]2C1	ZINC000328912014	676611921	/nfs/dbraw/zinc/61/19/21/676611921.db2.gz	ORWYJGRMUQIZHU-KBMXLJTQSA-N	1	0	352.479	1.983	20	30		FDEDRO
C[C@H](CNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O)C[NH+]1CCCC1	ZINC000328948386	676613290	/nfs/dbraw/zinc/61/32/90/676613290.db2.gz	BUNNOXNEUQIIOG-NTDBWNAOSA-N	1	0	353.507	1.884	20	30		FDEDRO
O=C(CN1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)NC1CC[NH+](C2CC2)CC1	ZINC000328953696	676613501	/nfs/dbraw/zinc/61/35/01/676613501.db2.gz	IHEGYXIKBZHBLP-KSZLIROESA-N	1	0	351.491	1.432	20	30		FDEDRO
CC(=O)N1CCC[C@](O)(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1	ZINC000328972846	676614467	/nfs/dbraw/zinc/61/44/67/676614467.db2.gz	BXJAINKTBQGBNS-IDHHARJASA-N	1	0	351.491	1.969	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000328978976	676614771	/nfs/dbraw/zinc/61/47/71/676614771.db2.gz	QXHDUDAQFKNWRJ-IMJJTQAJSA-N	1	0	352.479	1.746	20	30		FDEDRO
CN1C(=O)N[C@@H]2CN(C(=O)NC[C@H](C3CCCCC3)[NH+](C)C)CC[C@@H]21	ZINC000329021629	676616314	/nfs/dbraw/zinc/61/63/14/676616314.db2.gz	IAZOYPOQEVLODF-OWCLPIDISA-N	1	0	351.495	1.713	20	30		FDEDRO
C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1	ZINC000329023973	676616579	/nfs/dbraw/zinc/61/65/79/676616579.db2.gz	UPQSCOJKLKLVOZ-FZKCQIBNSA-N	1	0	359.536	1.428	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2OCCN(CC(=O)Nc3nnc(C(C)(C)C)s3)[C@@H]2C1	ZINC000329043614	676617162	/nfs/dbraw/zinc/61/71/62/676617162.db2.gz	UEUQDFROXLWRQE-NEPJUHHUSA-N	1	0	353.492	1.829	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)C1	ZINC000329046839	676617330	/nfs/dbraw/zinc/61/73/30/676617330.db2.gz	VGEMATMWGUPRLI-JKIFEVAISA-N	1	0	355.504	1.754	20	30		FDEDRO
Cc1noc([C@@H]2CN(C(=O)NC[C@@]3([NH+](C)C)CCSC3)CCN2C)n1	ZINC000329058188	676617775	/nfs/dbraw/zinc/61/77/75/676617775.db2.gz	MSCAUVWNPOJELY-BBRMVZONSA-N	1	0	368.507	1.018	20	30		FDEDRO
O=C(NC[C@@H]1CS(=O)(=O)CCO1)C1CC[NH+](Cc2ccccc2)CC1	ZINC000329096246	676619654	/nfs/dbraw/zinc/61/96/54/676619654.db2.gz	YFCRXZOLEZPDHS-QGZVFWFLSA-N	1	0	366.483	1.669	20	30		FDEDRO
CN(C1CCN(C(=O)NCC[N@H+](C)C2CCCC2)CC1)S(C)(=O)=O	ZINC000329105861	676620369	/nfs/dbraw/zinc/62/03/69/676620369.db2.gz	ONORHZPWCKCGGT-UHFFFAOYSA-N	1	0	360.524	1.131	20	30		FDEDRO
CC[C@@H]1CN(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)CC[N@@H+]1CCOC	ZINC000329115879	676620968	/nfs/dbraw/zinc/62/09/68/676620968.db2.gz	NAKBWTTVPHTQED-JFIYKMOQSA-N	1	0	355.479	1.281	20	30		FDEDRO
COCCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1CCS(=O)(=O)C1	ZINC000329136341	676622182	/nfs/dbraw/zinc/62/21/82/676622182.db2.gz	CSJHADVGZPJUCN-WTXIUTQJSA-N	1	0	373.519	1.051	20	30		FDEDRO
O=C(CSc1nnnn1CC(F)(F)F)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000329144294	676622560	/nfs/dbraw/zinc/62/25/60/676622560.db2.gz	MVQBHJKYUIBROO-ZJUUUORDSA-N	1	0	364.397	1.911	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)c3csc(NC4CC4)n3)CC2)C1=O	ZINC000329184345	676623818	/nfs/dbraw/zinc/62/38/18/676623818.db2.gz	PDTXOVYOGGCWER-AWEZNQCLSA-N	1	0	363.487	1.717	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[S@](=O)CC2(C)C)C1	ZINC000329195911	676624462	/nfs/dbraw/zinc/62/44/62/676624462.db2.gz	SRLUEALRPKDOIN-MYYSRTQBSA-N	1	0	359.536	1.143	20	30		FDEDRO
Cc1noc(C2CCN(C(=O)N[C@@H](C)CN3CC[NH+](C)CC3)CC2)n1	ZINC000329203045	676625124	/nfs/dbraw/zinc/62/51/24/676625124.db2.gz	YGYBAZAYWAEFNY-ZDUSSCGKSA-N	1	0	350.467	1.107	20	30		FDEDRO
CC[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H](C)S1(=O)=O	ZINC000329240498	676627908	/nfs/dbraw/zinc/62/79/08/676627908.db2.gz	RANTYTUYXQGLKF-MOTUXRJWSA-N	1	0	357.520	1.813	20	30		FDEDRO
O=C(NCCN1CCNC(=O)C1)N1CC[NH+](CC2CCCCC2)CC1	ZINC000329272613	676629937	/nfs/dbraw/zinc/62/99/37/676629937.db2.gz	AGRRAVPJBCFTDM-UHFFFAOYSA-N	1	0	351.495	1.370	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1	ZINC000329351429	676634739	/nfs/dbraw/zinc/63/47/39/676634739.db2.gz	FJCNIIDESAVDBI-CABCVRRESA-N	1	0	372.535	1.273	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)NCC3CCSCC3)ccn2)CC1	ZINC000329384184	676636471	/nfs/dbraw/zinc/63/64/71/676636471.db2.gz	PIGMQSWEETYHII-UHFFFAOYSA-N	1	0	363.531	1.980	20	30		FDEDRO
C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCOCC2(CCOCC2)C1	ZINC000329405256	676637326	/nfs/dbraw/zinc/63/73/26/676637326.db2.gz	BSMRTJMXEXMNSU-CQSZACIVSA-N	1	0	353.463	1.081	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)C1	ZINC000329468067	676640085	/nfs/dbraw/zinc/64/00/85/676640085.db2.gz	XCALJVZUYIGXGF-IAGOWNOFSA-N	1	0	350.507	1.965	20	30		FDEDRO
C[C@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000329515030	676642151	/nfs/dbraw/zinc/64/21/51/676642151.db2.gz	OHRUARCDPHKBBI-ZFWWWQNUSA-N	1	0	372.535	1.511	20	30		FDEDRO
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NCCC2(O)CCC2)CC1	ZINC000329532033	676642943	/nfs/dbraw/zinc/64/29/43/676642943.db2.gz	WXJQHPPPCLCMST-IAGOWNOFSA-N	1	0	352.523	1.696	20	30		FDEDRO
C[C@H](O)CN1CCN(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1	ZINC000329541920	676643441	/nfs/dbraw/zinc/64/34/41/676643441.db2.gz	NOQKPWCGHRZHLI-YESZJQIVSA-N	1	0	352.523	1.552	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)C1	ZINC000329579125	676644999	/nfs/dbraw/zinc/64/49/99/676644999.db2.gz	UCOLCEQTVZFPKP-XDNAFOTISA-N	1	0	353.507	1.740	20	30		FDEDRO
CC1(C)CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC[C@@H]1O	ZINC000329583191	676645218	/nfs/dbraw/zinc/64/52/18/676645218.db2.gz	XMMHJVSZDQSRMA-IKGGRYGDSA-N	1	0	353.507	1.761	20	30		FDEDRO
Cc1nnc([C@H](C)NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)s1	ZINC000329591419	676645586	/nfs/dbraw/zinc/64/55/86/676645586.db2.gz	UDABGQYFCUKCHR-AAEUAGOBSA-N	1	0	366.491	1.060	20	30		FDEDRO
O=C(CN1CCSC[C@H]1CO)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000329619987	676646519	/nfs/dbraw/zinc/64/65/19/676646519.db2.gz	FINUWBSWQQVIJD-MRXNPFEDSA-N	1	0	371.547	1.388	20	30		FDEDRO
O=C(NC[C@@H]1CCCCS1(=O)=O)NC1CC[NH+](C2CCCC2)CC1	ZINC000329667083	676648488	/nfs/dbraw/zinc/64/84/88/676648488.db2.gz	RJPOTFGPUMADIV-INIZCTEOSA-N	1	0	357.520	1.864	20	30		FDEDRO
CCN(CC)C(=O)N1CCN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1	ZINC000329787495	676656258	/nfs/dbraw/zinc/65/62/58/676656258.db2.gz	YTCDFLPCEPTQRG-GDBMZVCRSA-N	1	0	351.495	1.463	20	30		FDEDRO
CN1CCC(CNC(=O)NC[C@]2(C)CCOC2)([NH+]2CCCCC2)CC1	ZINC000329805991	676657899	/nfs/dbraw/zinc/65/78/99/676657899.db2.gz	NOCXRRHWTGFWGF-SFHVURJKSA-N	1	0	352.523	1.867	20	30		FDEDRO
CS(=O)(=O)c1ccc(CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)s1	ZINC000329825139	676659404	/nfs/dbraw/zinc/65/94/04/676659404.db2.gz	BTFCFTCZLJFOIN-CYBMUJFWSA-N	1	0	371.528	1.983	20	30		FDEDRO
CS(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)s1	ZINC000329825141	676659434	/nfs/dbraw/zinc/65/94/34/676659434.db2.gz	BTFCFTCZLJFOIN-ZDUSSCGKSA-N	1	0	371.528	1.983	20	30		FDEDRO
O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)N1CC[C@@H](CCO)C1	ZINC000329840594	676660277	/nfs/dbraw/zinc/66/02/77/676660277.db2.gz	WJUYVKAGGLELPE-KRWDZBQOSA-N	1	0	353.507	1.887	20	30		FDEDRO
CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@H]3CCC(=O)N(C)C3)C2)CC1	ZINC000329845308	676660486	/nfs/dbraw/zinc/66/04/86/676660486.db2.gz	OOESQJAHDGZXMF-IRXDYDNUSA-N	1	0	350.507	1.965	20	30		FDEDRO
O=C(NCC1([NH+]2CCSCC2)CCCC1)N1CCO[C@@]2(CCOC2)C1	ZINC000329933624	676664370	/nfs/dbraw/zinc/66/43/70/676664370.db2.gz	BQPQHDQKPGWSED-SFHVURJKSA-N	1	0	369.531	1.753	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)N2CCC(O[C@H]3CCOC3)CC2)CCSC1	ZINC000330046673	676670332	/nfs/dbraw/zinc/67/03/32/676670332.db2.gz	IUSAQSBPDCYDOM-RDJZCZTQSA-N	1	0	357.520	1.608	20	30		FDEDRO
Cn1nccc1N1CCC[C@@H](NC(=O)C[N@H+](C)[C@@H]2CCSC2)C1=O	ZINC000330051051	676670436	/nfs/dbraw/zinc/67/04/36/676670436.db2.gz	MVHOCKRMOYFWAO-CHWSQXEVSA-N	1	0	351.476	1.309	20	30		FDEDRO
CC(=O)N1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)[C@H](C)C1	ZINC000330080412	676671478	/nfs/dbraw/zinc/67/14/78/676671478.db2.gz	JHFGGTNVEWJPBF-OAHLLOKOSA-N	1	0	352.479	1.098	20	30		FDEDRO
CCN(CC)C(=O)N1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1	ZINC000330127718	676674416	/nfs/dbraw/zinc/67/44/16/676674416.db2.gz	DHMXBCMAKFKVCN-QGZVFWFLSA-N	1	0	371.551	1.417	20	30		FDEDRO
CSC1(CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CCOCC1	ZINC000330201131	676678078	/nfs/dbraw/zinc/67/80/78/676678078.db2.gz	XIHXKQNGFSEYCH-OAHLLOKOSA-N	1	0	357.520	1.467	20	30		FDEDRO
C[C@H](CO[C@H]1CCOC1)NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	ZINC000330200485	676678101	/nfs/dbraw/zinc/67/81/01/676678101.db2.gz	AHRKSBZHZSPRSS-VYDXJSESSA-N	1	0	355.479	1.280	20	30		FDEDRO
C[NH+]1CCC2(CCCN2C(=O)NCc2ncccc2S(C)(=O)=O)CC1	ZINC000330217684	676679403	/nfs/dbraw/zinc/67/94/03/676679403.db2.gz	IRPVKTAURXIRSU-UHFFFAOYSA-N	1	0	366.487	1.459	20	30		FDEDRO
CC(=O)NCCc1ccc(S(=O)(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)s1	ZINC000330219390	676679454	/nfs/dbraw/zinc/67/94/54/676679454.db2.gz	PMLILLFJPWLYFH-INIZCTEOSA-N	1	0	371.528	1.983	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCOC2(CCCC2)C1	ZINC000330294743	676683273	/nfs/dbraw/zinc/68/32/73/676683273.db2.gz	FJJTXLFVKJPXPR-SJORKVTESA-N	1	0	351.491	1.923	20	30		FDEDRO
COc1ccc(CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1OC	ZINC000330458004	676691830	/nfs/dbraw/zinc/69/18/30/676691830.db2.gz	REHPEWPYOCNOLA-UHFFFAOYSA-N	1	0	351.447	1.506	20	30		FDEDRO
CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O	ZINC000330580515	676697247	/nfs/dbraw/zinc/69/72/47/676697247.db2.gz	QEHOTWGJCQOZGH-AFIMGQEJSA-N	1	0	355.479	1.313	20	30		FDEDRO
CS[C@@H]1CN(C(=O)Nc2cnn(CC(F)(F)F)c2)C[C@H]1[NH+](C)C	ZINC000330703316	676701434	/nfs/dbraw/zinc/70/14/34/676701434.db2.gz	IXMQIVRCTXOSMU-GHMZBOCLSA-N	1	0	351.398	1.968	20	30		FDEDRO
CS[C@@H]1CN(C(=O)Nc2cnn(CC(F)(F)F)c2)C[C@@H]1[NH+](C)C	ZINC000330703319	676701503	/nfs/dbraw/zinc/70/15/03/676701503.db2.gz	IXMQIVRCTXOSMU-WDEREUQCSA-N	1	0	351.398	1.968	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(S(C)(=O)=O)s2)C1	ZINC000330995824	676713491	/nfs/dbraw/zinc/71/34/91/676713491.db2.gz	UCOWHCSLSHWPQZ-LBPRGKRZSA-N	1	0	359.517	1.887	20	30		FDEDRO
COC(=O)C(C)(C)CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000331111853	676717082	/nfs/dbraw/zinc/71/70/82/676717082.db2.gz	LLTMALRQMJKSHH-HUUCEWRRSA-N	1	0	355.479	1.457	20	30		FDEDRO
Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(S(=O)(=O)N(C)CCC#N)C1	ZINC000331150868	676718892	/nfs/dbraw/zinc/71/88/92/676718892.db2.gz	ZQMNTANUNGYGHR-CQSZACIVSA-N	1	0	371.532	1.296	20	30		FDEDRO
C[C@H]1C[NH+](CCC2CCN(S(=O)(=O)N(C)CCC#N)CC2)C[C@H](C)O1	ZINC000331167136	676719556	/nfs/dbraw/zinc/71/95/56/676719556.db2.gz	DXNJUIVBESMGBO-HOTGVXAUSA-N	1	0	372.535	1.288	20	30		FDEDRO
CC1CC[NH+](CCNC(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1	ZINC000331177263	676720230	/nfs/dbraw/zinc/72/02/30/676720230.db2.gz	KJYMPVCSXCFWTQ-CABCVRRESA-N	1	0	360.524	1.082	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(S(=O)(=O)NC)cn2)C1	ZINC000331192931	676721041	/nfs/dbraw/zinc/72/10/41/676721041.db2.gz	XSPUDDRTUXLZBS-LBPRGKRZSA-N	1	0	355.464	1.048	20	30		FDEDRO
C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N(C)C)cn1)C(C)(C)C[NH+](C)C	ZINC000331211873	676722197	/nfs/dbraw/zinc/72/21/97/676722197.db2.gz	ZGOUVRLUALWRTH-GFCCVEGCSA-N	1	0	371.507	1.634	20	30		FDEDRO
CSC1(CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CCOCC1	ZINC000331232842	676723039	/nfs/dbraw/zinc/72/30/39/676723039.db2.gz	RJZIGKXHYJAGNZ-AWEZNQCLSA-N	1	0	359.536	1.590	20	30		FDEDRO
CCOC(=O)c1cnc(NC(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)n1C	ZINC000331245789	676723833	/nfs/dbraw/zinc/72/38/33/676723833.db2.gz	SJPWTBMTLAQGOE-STQMWFEESA-N	1	0	351.451	1.947	20	30		FDEDRO
COC(=O)[C@@H]1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[C@H]1C	ZINC000331275516	676725316	/nfs/dbraw/zinc/72/53/16/676725316.db2.gz	QCZUZEPEKHFFGC-HUUCEWRRSA-N	1	0	354.495	1.057	20	30		FDEDRO
CC(C)C[C@@]1(CO)CCCN1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	ZINC000331281622	676725458	/nfs/dbraw/zinc/72/54/58/676725458.db2.gz	VFMIHBNNNGUOLO-LJQANCHMSA-N	1	0	354.539	1.799	20	30		FDEDRO
CC[C@@H](CNS(=O)(=O)N(C)C[C@H](C)C#N)[N@@H+]1CCc2ccccc2C1	ZINC000332665047	676743735	/nfs/dbraw/zinc/74/37/35/676743735.db2.gz	FIPTVDAEYODRPR-QAPCUYQASA-N	1	0	364.515	1.749	20	30		FDEDRO
Cc1csc(NC(=O)[C@H]2CCC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C2)n1	ZINC000361786873	676901610	/nfs/dbraw/zinc/90/16/10/676901610.db2.gz	YBIPCCOXWLIPRD-KGLIPLIRSA-N	1	0	363.487	1.863	20	30		FDEDRO
CN1CCC[C@]2(CC[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)C1=O	ZINC000364610451	677035089	/nfs/dbraw/zinc/03/50/89/677035089.db2.gz	JWSGMPRGYNTKRN-RDTXWAMCSA-N	1	0	358.467	1.669	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CCC[NH2+]CC2)c1	ZINC000364648813	677039026	/nfs/dbraw/zinc/03/90/26/677039026.db2.gz	BEWGPWDMYUPJIQ-HNNXBMFYSA-N	1	0	351.472	1.365	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)OC)CC1	ZINC000366393808	677440044	/nfs/dbraw/zinc/44/00/44/677440044.db2.gz	DKRGXXQTHLTBRL-AEFFLSMTSA-N	1	0	352.475	1.701	20	30		FDEDRO
C=CCCOCCNC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1	ZINC000368293594	677499122	/nfs/dbraw/zinc/49/91/22/677499122.db2.gz	JWBLCSAABNLYSX-UHFFFAOYSA-N	1	0	352.523	1.638	20	30		FDEDRO
CC(C)(O)C[N@@H+]1CCCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1	ZINC000369883961	677524730	/nfs/dbraw/zinc/52/47/30/677524730.db2.gz	NGIADOBPNVQNCR-UHFFFAOYSA-N	1	0	371.890	1.679	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1	ZINC000370526695	677587689	/nfs/dbraw/zinc/58/76/89/677587689.db2.gz	FTTOHVVRSVYCLT-WBVHZDCISA-N	1	0	365.503	1.219	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CCN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c1	ZINC000371099479	677646512	/nfs/dbraw/zinc/64/65/12/677646512.db2.gz	LCASICQDBXJBGA-NZSAHSFTSA-N	1	0	359.495	1.748	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)cc1Cl	ZINC000372991987	678004345	/nfs/dbraw/zinc/00/43/45/678004345.db2.gz	HLNDJLXRGPPDKK-CQSZACIVSA-N	1	0	353.875	1.957	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000374458949	678082689	/nfs/dbraw/zinc/08/26/89/678082689.db2.gz	ONTVGGHIAUJKNF-RCCFBDPRSA-N	1	0	351.491	1.721	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1	ZINC000374723242	678090243	/nfs/dbraw/zinc/09/02/43/678090243.db2.gz	XXFSRFQHWGOVSC-KRWDZBQOSA-N	1	0	365.499	1.503	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1	ZINC000375050579	678094015	/nfs/dbraw/zinc/09/40/15/678094015.db2.gz	RWJNUORVLKTNGG-WMLDXEAASA-N	1	0	363.483	1.317	20	30		FDEDRO
C[NH+]1CCN([C@H]2CCCCN(S(=O)(=O)c3ccc(C#N)s3)C2)CC1	ZINC000376006336	678211516	/nfs/dbraw/zinc/21/15/16/678211516.db2.gz	IXBUMEIUUOHJCY-AWEZNQCLSA-N	1	0	368.528	1.410	20	30		FDEDRO
C[C@H]1COCC[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1	ZINC000378444542	678747435	/nfs/dbraw/zinc/74/74/35/678747435.db2.gz	NBCIDQAEJHCRHD-HZPDHXFCSA-N	1	0	362.499	1.425	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000409489841	678849997	/nfs/dbraw/zinc/84/99/97/678849997.db2.gz	BWLJLXQEBFTILZ-SJLPKXTDSA-N	1	0	364.515	1.919	20	30		FDEDRO
COCC[N@H+](C)CCCC1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1	ZINC000409492100	678850645	/nfs/dbraw/zinc/85/06/45/678850645.db2.gz	TXRXNFFWWVSAJF-INIZCTEOSA-N	1	0	374.551	1.393	20	30		FDEDRO
CC[NH+](CC)Cc1cccc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)c1	ZINC000409595425	678866178	/nfs/dbraw/zinc/86/61/78/678866178.db2.gz	PUPGYZMBBASHKC-QGZVFWFLSA-N	1	0	366.487	1.087	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl	ZINC000424102625	680829922	/nfs/dbraw/zinc/82/99/22/680829922.db2.gz	BLFUCVVSFDJXFH-ZYHUDNBSSA-N	1	0	360.241	1.870	20	30		FDEDRO
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H]([NH3+])CCCC#N)s1	ZINC000424060744	680827432	/nfs/dbraw/zinc/82/74/32/680827432.db2.gz	DGXQPBDWZLHVJO-CYBMUJFWSA-N	1	0	372.516	1.416	20	30		FDEDRO
N#CCc1ccc(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1	ZINC000414759159	679369722	/nfs/dbraw/zinc/36/97/22/679369722.db2.gz	NZMSRBUVTHKPNU-CQSZACIVSA-N	1	0	355.364	1.710	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1	ZINC000414895348	679373061	/nfs/dbraw/zinc/37/30/61/679373061.db2.gz	NEGYSZBTAYIRBZ-BBRMVZONSA-N	1	0	366.487	1.613	20	30		FDEDRO
C[C@H]([NH3+])CCNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	ZINC000414917212	679374170	/nfs/dbraw/zinc/37/41/70/679374170.db2.gz	VDLCBDOXIQHHRD-JTQLQIEISA-N	1	0	362.484	2.561	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)C(=O)NCC[NH2+]C	ZINC000415362125	679414279	/nfs/dbraw/zinc/41/42/79/679414279.db2.gz	OPMAJMVAXQETAH-UHFFFAOYSA-N	1	0	356.220	1.288	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1	ZINC000415594034	679460677	/nfs/dbraw/zinc/46/06/77/679460677.db2.gz	FYJWQMDMGTYDRB-FRRDWIJNSA-N	1	0	350.444	1.586	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1	ZINC000415606366	679463946	/nfs/dbraw/zinc/46/39/46/679463946.db2.gz	YQUFUIAUSHWLCM-MFKMUULPSA-N	1	0	372.397	1.491	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C	ZINC000415622710	679467090	/nfs/dbraw/zinc/46/70/90/679467090.db2.gz	LMTDKGDLCRWEQZ-UMVBOHGHSA-N	1	0	360.483	1.991	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1	ZINC000415645718	679470764	/nfs/dbraw/zinc/47/07/64/679470764.db2.gz	LTINKQUNDMPNMD-WDEREUQCSA-N	1	0	352.341	1.484	20	30		FDEDRO
CN1CC[NH2+]C[C@H]1CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000415652203	679472018	/nfs/dbraw/zinc/47/20/18/679472018.db2.gz	DAASSCNCXPBWLU-LBPRGKRZSA-N	1	0	357.336	1.482	20	30		FDEDRO
C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000415736311	679489014	/nfs/dbraw/zinc/48/90/14/679489014.db2.gz	AOUAWVYCKCLIRL-SNVBAGLBSA-N	1	0	367.247	1.893	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH3+]	ZINC000415815654	679512583	/nfs/dbraw/zinc/51/25/83/679512583.db2.gz	WRZJEWPMGNPMOM-NXEZZACHSA-N	1	0	370.247	1.804	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC2)n1	ZINC000416028792	679546377	/nfs/dbraw/zinc/54/63/77/679546377.db2.gz	KKBOPDZLWJZRPV-GFCCVEGCSA-N	1	0	356.352	1.065	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)C2)nc1	ZINC000416053317	679549640	/nfs/dbraw/zinc/54/96/40/679549640.db2.gz	VLJKGFWSMJTTTO-VXGBXAGGSA-N	1	0	357.336	1.396	20	30		FDEDRO
CC[NH+](CC)CCOc1ccc(CNS(=O)(=O)[C@@H](C)C#N)cc1OC	ZINC000416365221	679584803	/nfs/dbraw/zinc/58/48/03/679584803.db2.gz	ARZFSYINNNHQCB-AWEZNQCLSA-N	1	0	369.487	1.747	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1cnn2c1OCCC2)C(C)C	ZINC000416470442	679633533	/nfs/dbraw/zinc/63/35/33/679633533.db2.gz	HFRRGHSPDRXROQ-HNNXBMFYSA-N	1	0	368.503	1.643	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N(CC[NH+](C)C)Cc1ccsc1	ZINC000416549762	679652169	/nfs/dbraw/zinc/65/21/69/679652169.db2.gz	DJIBCRZRBFYCAZ-CQSZACIVSA-N	1	0	358.533	1.838	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)c1cncc(C#N)c1	ZINC000416562768	679654354	/nfs/dbraw/zinc/65/43/54/679654354.db2.gz	WOASPANWUNPOQH-UHFFFAOYSA-N	1	0	350.469	1.767	20	30		FDEDRO
N#Cc1ccc(CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1	ZINC000417725272	679925527	/nfs/dbraw/zinc/92/55/27/679925527.db2.gz	OKAWKXXCFFKDSG-AWEZNQCLSA-N	1	0	355.364	1.194	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1	ZINC000418916680	680152398	/nfs/dbraw/zinc/15/23/98/680152398.db2.gz	HJJYBFSKOPOABO-CQSZACIVSA-N	1	0	360.483	1.023	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1	ZINC000419154040	680202586	/nfs/dbraw/zinc/20/25/86/680202586.db2.gz	QRPYJUJUVZVYDO-DZGCQCFKSA-N	1	0	351.447	1.114	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)c1Br)[NH+](C)C	ZINC000419633773	680301001	/nfs/dbraw/zinc/30/10/01/680301001.db2.gz	BPUVVEUUZHMVPK-VIFPVBQESA-N	1	0	353.220	1.326	20	30		FDEDRO
C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)CC[NH2+]1	ZINC000420430778	680447030	/nfs/dbraw/zinc/44/70/30/680447030.db2.gz	DTTCBPUAJINHIR-GXSJLCMTSA-N	1	0	358.261	1.740	20	30		FDEDRO
C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1cccc(Br)c1C#N	ZINC000420438015	680451032	/nfs/dbraw/zinc/45/10/32/680451032.db2.gz	QUEHYIWOVQPFPZ-CABZTGNLSA-N	1	0	358.261	1.597	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1	ZINC000420453243	680459400	/nfs/dbraw/zinc/45/94/00/680459400.db2.gz	CUAZOQOZTQWOAN-OCCSQVGLSA-N	1	0	364.427	1.619	20	30		FDEDRO
CCn1cnc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1	ZINC000474045441	685361332	/nfs/dbraw/zinc/36/13/32/685361332.db2.gz	ONHHGVFTCWMGIU-UHFFFAOYSA-N	1	0	361.471	1.527	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1	ZINC000425634494	680913977	/nfs/dbraw/zinc/91/39/77/680913977.db2.gz	WAWUYPMJTWDHCL-JKSUJKDBSA-N	1	0	352.479	1.447	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1	ZINC000425859949	680937010	/nfs/dbraw/zinc/93/70/10/680937010.db2.gz	SFMKEVAMTMXATC-RYRKJORJSA-N	1	0	350.507	1.387	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N(CCC)CCN1CC[NH+](CC)CC1	ZINC000425869540	680937782	/nfs/dbraw/zinc/93/77/82/680937782.db2.gz	GANDMRPGDDEPIH-ROUUACIJSA-N	1	0	352.523	1.637	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1	ZINC000425874245	680938064	/nfs/dbraw/zinc/93/80/64/680938064.db2.gz	RAPISMKGOFPMPR-IUVQAAGXSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCCC[N@H+]1CCCC	ZINC000425882172	680938888	/nfs/dbraw/zinc/93/88/88/680938888.db2.gz	LQXFUODJYTVLSD-BBWFWOEESA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1CC(=O)N(C(C)C)C1)C(C)C	ZINC000428904948	681017554	/nfs/dbraw/zinc/01/75/54/681017554.db2.gz	IVAKHFWCGLQQOB-SJORKVTESA-N	1	0	350.507	1.994	20	30		FDEDRO
N#Cc1ccc([C@H]([NH2+]CC2CCN(CC(F)(F)F)CC2)C(N)=O)cc1	ZINC000435999640	681655197	/nfs/dbraw/zinc/65/51/97/681655197.db2.gz	JKDITYDIPIAKQE-HNNXBMFYSA-N	1	0	354.376	1.949	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)c1	ZINC000440804952	682025908	/nfs/dbraw/zinc/02/59/08/682025908.db2.gz	WWFDSQMYHXKEEH-CQSZACIVSA-N	1	0	351.472	1.352	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)N1CCOC(C)(C)C1)C(C)C	ZINC000444101830	682381089	/nfs/dbraw/zinc/38/10/89/682381089.db2.gz	APEFEBCPUSFOOZ-MRXNPFEDSA-N	1	0	359.536	1.630	20	30		FDEDRO
CC1(C#N)CCC([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000449099837	682664664	/nfs/dbraw/zinc/66/46/64/682664664.db2.gz	OYOSVBWTYNTMMP-UHFFFAOYSA-N	1	0	366.443	1.935	20	30		FDEDRO
C=CCC[C@@H](CO)[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000449701771	682701856	/nfs/dbraw/zinc/70/18/56/682701856.db2.gz	XJMMMSNZNKMBMO-INIZCTEOSA-N	1	0	368.499	1.765	20	30		FDEDRO
CC[C@H](CO)[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000451155446	682829995	/nfs/dbraw/zinc/82/99/95/682829995.db2.gz	BMWKZBCATIFCID-CABCVRRESA-N	1	0	350.488	1.160	20	30		FDEDRO
N#CCC1(CS(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1	ZINC000451326487	682861948	/nfs/dbraw/zinc/86/19/48/682861948.db2.gz	DJNYZENICQTKLZ-JKSUJKDBSA-N	1	0	355.504	1.368	20	30		FDEDRO
CC(C)(CC#N)CS(=O)(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1	ZINC000451332624	682863036	/nfs/dbraw/zinc/86/30/36/682863036.db2.gz	QHJIRFIWLYRMAZ-HOTGVXAUSA-N	1	0	357.520	1.614	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNS(=O)(=O)Cc2ccc(F)cc2C#N)CC1	ZINC000451435994	682880064	/nfs/dbraw/zinc/88/00/64/682880064.db2.gz	WCFDDJVKGNOLON-CQSZACIVSA-N	1	0	368.478	1.143	20	30		FDEDRO
C[NH+](C)CCCOc1cnccc1CNS(=O)(=O)CC1(CC#N)CC1	ZINC000451559925	682899886	/nfs/dbraw/zinc/89/98/86/682899886.db2.gz	VAICTMBJYTUENX-UHFFFAOYSA-N	1	0	366.487	1.525	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CCOc1ccc(S(=O)(=O)N(C)C)cc1	ZINC000451685512	682920379	/nfs/dbraw/zinc/92/03/79/682920379.db2.gz	ZTDYOGNUBJDENM-SJORKVTESA-N	1	0	354.472	1.639	20	30		FDEDRO
CC1CC[NH+](CCCNC(=O)C(=O)Nc2cnc(C#N)c(Cl)c2)CC1	ZINC000453584927	683166832	/nfs/dbraw/zinc/16/68/32/683166832.db2.gz	PTUKRYGQBYPOQG-UHFFFAOYSA-N	1	0	363.849	1.783	20	30		FDEDRO
CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cnc(C#N)c(Cl)c2)C1	ZINC000453666457	683180817	/nfs/dbraw/zinc/18/08/17/683180817.db2.gz	WKVHDEYENSFDLG-LBPRGKRZSA-N	1	0	363.849	1.735	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1)C(C)(C)C[NH+](C)C	ZINC000453669684	683181550	/nfs/dbraw/zinc/18/15/50/683181550.db2.gz	OKYASDCMEKFOJT-SNVBAGLBSA-N	1	0	351.838	1.638	20	30		FDEDRO
C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3ccc(CC#N)cc3Cl)C2)C1	ZINC000453763086	683208383	/nfs/dbraw/zinc/20/83/83/683208383.db2.gz	NFCNPBCDSJZTQK-SFHVURJKSA-N	1	0	360.845	1.899	20	30		FDEDRO
C=CC[C@H](C)NC(=O)N1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1	ZINC000454534466	683330966	/nfs/dbraw/zinc/33/09/66/683330966.db2.gz	UNSCUSAYEHPBJN-WMZOPIPTSA-N	1	0	350.507	1.927	20	30		FDEDRO
CC[C@@H]([NH2+][C@H](C)C(=O)NC1(C#N)CCC1)c1cccc(S(N)(=O)=O)c1	ZINC000469781729	684986178	/nfs/dbraw/zinc/98/61/78/684986178.db2.gz	WKNGGEIHQLSXRL-IUODEOHRSA-N	1	0	364.471	1.326	20	30		FDEDRO
C=CCOCCC[NH+]1CCN(c2ncc(Br)c(OC)n2)CC1	ZINC000470760962	685066693	/nfs/dbraw/zinc/06/66/93/685066693.db2.gz	GNUCVNOBWPTCQT-UHFFFAOYSA-N	1	0	371.279	1.962	20	30		FDEDRO
C=CCOCCC[N@H+]1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000470767638	685067799	/nfs/dbraw/zinc/06/77/99/685067799.db2.gz	WFGOEEFFOSKKMT-UHFFFAOYSA-N	1	0	368.499	1.984	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000487782673	687001690	/nfs/dbraw/zinc/00/16/90/687001690.db2.gz	NKWDAAQVZCVVOG-IRXDYDNUSA-N	1	0	351.491	1.418	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1	ZINC000490645310	687148071	/nfs/dbraw/zinc/14/80/71/687148071.db2.gz	POZMYICMCYAFKN-GOSISDBHSA-N	1	0	363.483	1.319	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCC(=O)NCC#N	ZINC000511909545	689565519	/nfs/dbraw/zinc/56/55/19/689565519.db2.gz	JHLPHBZRRPLPGO-UHFFFAOYSA-N	1	0	351.838	1.053	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)NC1CC[NH+](CC(=O)N(CC)CC)CC1	ZINC000514797247	689768846	/nfs/dbraw/zinc/76/88/46/689768846.db2.gz	UZOQHMAEHREMPC-IBGZPJMESA-N	1	0	353.507	1.664	20	30		FDEDRO
CCO[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)[C@]12CCCO2	ZINC000514856944	689776272	/nfs/dbraw/zinc/77/62/72/689776272.db2.gz	LMFXJKLFTUQGRR-RCCFBDPRSA-N	1	0	364.467	1.648	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)CC1(CC#N)CC1	ZINC000516683083	689981547	/nfs/dbraw/zinc/98/15/47/689981547.db2.gz	YOXOVJZSBVSXIV-MRXNPFEDSA-N	1	0	356.536	1.358	20	30		FDEDRO
CN1CC[NH2+]C[C@H]1CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000517224738	690046549	/nfs/dbraw/zinc/04/65/49/690046549.db2.gz	PVRXAMWOCKGBLM-HNNXBMFYSA-N	1	0	354.376	1.260	20	30		FDEDRO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@H](O)C[NH+](C)C	ZINC000518749132	690159813	/nfs/dbraw/zinc/15/98/13/690159813.db2.gz	PPSMTXNKRMLOHT-STQMWFEESA-N	1	0	364.471	1.058	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1COc2cc(F)c(Br)cc21	ZINC000519770333	690264277	/nfs/dbraw/zinc/26/42/77/690264277.db2.gz	UHDFQPSVRFGLPZ-QMTHXVAHSA-N	1	0	372.238	1.818	20	30		FDEDRO
Cc1sc2ncn(CC(=O)NC3(C#N)CC[NH+](C)CC3)c(=O)c2c1C	ZINC000520296108	690305818	/nfs/dbraw/zinc/30/58/18/690305818.db2.gz	LXPMMKDYOUZRAT-UHFFFAOYSA-N	1	0	359.455	1.179	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1	ZINC000525619718	694631133	/nfs/dbraw/zinc/63/11/33/694631133.db2.gz	ZXGGHZRZAOVCED-ZFWWWQNUSA-N	1	0	351.472	1.363	20	30		FDEDRO
COc1ccc(CC(=O)NC2(C#N)CC[NH+](C)CC2)cc1OC(F)F	ZINC000528455334	694720509	/nfs/dbraw/zinc/72/05/09/694720509.db2.gz	FAENZJRHMOIJHC-UHFFFAOYSA-N	1	0	353.369	1.943	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)CN1CCC[C@@]2(CCS(=O)(=O)C2)C1	ZINC000528517339	694725926	/nfs/dbraw/zinc/72/59/26/694725926.db2.gz	HERMHIHQNJBXBN-FUHWJXTLSA-N	1	0	364.467	1.199	20	30		FDEDRO
CC(C)[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1	ZINC000528686675	694743091	/nfs/dbraw/zinc/74/30/91/694743091.db2.gz	HCJVEUIXRPHSBS-CZUORRHYSA-N	1	0	364.471	1.834	20	30		FDEDRO
C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2cc(Br)cc(C#N)c2)C1	ZINC000531251596	694826955	/nfs/dbraw/zinc/82/69/55/694826955.db2.gz	XRVPLYZTZUXPRE-LLVKDONJSA-N	1	0	372.288	1.941	20	30		FDEDRO
C=CCN(C(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F)[C@@H](C)COC	ZINC000638408267	695355543	/nfs/dbraw/zinc/35/55/43/695355543.db2.gz	WXFVMQPFJGWABC-NSHDSACASA-N	1	0	357.405	1.803	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)c1	ZINC000639026698	695421635	/nfs/dbraw/zinc/42/16/35/695421635.db2.gz	GSAMMFRTSKRONI-NVXWUHKLSA-N	1	0	363.483	1.365	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C)C(C)(C)C2)c1	ZINC000641591604	696159817	/nfs/dbraw/zinc/15/98/17/696159817.db2.gz	BFAZHGNDXLCKCI-UHFFFAOYSA-N	1	0	351.472	1.317	20	30		FDEDRO
COc1ccnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1C#N	ZINC001164739612	720672635	/nfs/dbraw/zinc/67/26/35/720672635.db2.gz	OFWJYJBZZDBGQZ-ZIAGYGMSSA-N	1	0	352.398	1.094	20	30		FDEDRO
COc1nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c(F)cc1C#N	ZINC001164742258	720752436	/nfs/dbraw/zinc/75/24/36/720752436.db2.gz	NTJGJBSBZJXKDS-ZIAGYGMSSA-N	1	0	370.388	1.233	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1	ZINC001164743562	720808168	/nfs/dbraw/zinc/80/81/68/720808168.db2.gz	GZIIXQRMVUNOPZ-IPMKNSEASA-N	1	0	363.469	1.924	20	30		FDEDRO
C=CCOc1cc(C)nc(N2CC[C@@H]3C[N@H+](CCOC)CCO[C@H]3C2)n1	ZINC001164851557	720857094	/nfs/dbraw/zinc/85/70/94/720857094.db2.gz	AXXVLRVNPPWVCC-SJORKVTESA-N	1	0	362.474	1.523	20	30		FDEDRO
N#Cc1cc(Cl)nnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164871965	721065138	/nfs/dbraw/zinc/06/51/38/721065138.db2.gz	ZYJXDXJYZCXHSY-HZPDHXFCSA-N	1	0	370.844	1.876	20	30		FDEDRO
COc1nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c(F)cc1C#N	ZINC001164763242	721187853	/nfs/dbraw/zinc/18/78/53/721187853.db2.gz	DXQFUQKHDSOXDJ-HOCLYGCPSA-N	1	0	370.432	1.793	20	30		FDEDRO
Cc1cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)ncc1C#N	ZINC001164868517	721269989	/nfs/dbraw/zinc/26/99/89/721269989.db2.gz	ADYJDVZWTPEPJW-UHFFFAOYSA-N	1	0	371.485	1.269	20	30		FDEDRO
Cc1cc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)ncc1C#N	ZINC001164794901	721512220	/nfs/dbraw/zinc/51/22/20/721512220.db2.gz	YFKXUROMCAKCBO-UHFFFAOYSA-N	1	0	351.458	1.226	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)c4nocc4C)[C@@H]3C2)CC1	ZINC001022698238	782227402	/nfs/dbraw/zinc/22/74/02/782227402.db2.gz	JEFYKHQSAUTAHA-DLBZAZTESA-N	1	0	370.453	1.001	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3CCN(C(=O)C[N@H+]4CCC[C@@H]4C)[C@@H]3C2)c1	ZINC001022718411	782557689	/nfs/dbraw/zinc/55/76/89/782557689.db2.gz	UXZAKQVJRFDZDC-VDZJLULYSA-N	1	0	366.465	1.220	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3CCN(C(=O)C[N@H+]4CC[C@@H](C)C4)[C@@H]3C2)c1	ZINC001022719861	782586872	/nfs/dbraw/zinc/58/68/72/782586872.db2.gz	COXJJTDSDBWWRQ-HHXXYDBFSA-N	1	0	366.465	1.078	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCOC23CCOCC3)cc1	ZINC000934406017	782637322	/nfs/dbraw/zinc/63/73/22/782637322.db2.gz	NYVQLHQZIYCKHC-MRXNPFEDSA-N	1	0	350.440	1.260	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CCC[C@@H](CNC(=O)c3ccccc3)C2)[N@H+](C)C1	ZINC000329048857	782679620	/nfs/dbraw/zinc/67/96/20/782679620.db2.gz	VWMPUQGGNLOPND-SZMVWBNQSA-N	1	0	359.470	1.949	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C3CCOCC3)C2)C1=O	ZINC001020386378	768836366	/nfs/dbraw/zinc/83/63/66/768836366.db2.gz	QDCFMGRNGQURDJ-TXTZMMAHSA-N	1	0	361.486	1.073	20	30		FDEDRO
Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)nc1C	ZINC001112470868	769158479	/nfs/dbraw/zinc/15/84/79/769158479.db2.gz	VTBSPSATHHSSEX-JXFKEZNVSA-N	1	0	369.469	1.170	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)ccc1F	ZINC001020406983	769186471	/nfs/dbraw/zinc/18/64/71/769186471.db2.gz	JBKJCMXLADFHTM-FKLUBVLPSA-N	1	0	355.413	1.858	20	30		FDEDRO
CCc1nnc(NCC2(N3CCOCC3)CC[NH+](C)CC2)c(C#N)c1CC	ZINC000413482086	782736082	/nfs/dbraw/zinc/73/60/82/782736082.db2.gz	OLHKGEDSVZRLPJ-UHFFFAOYSA-N	1	0	372.517	1.682	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1	ZINC000969432134	770191667	/nfs/dbraw/zinc/19/16/67/770191667.db2.gz	ZNZURKPNVCTVEH-ZSYWTGECSA-N	1	0	355.438	1.300	20	30		FDEDRO
COc1cc(OCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)ccc1C#N	ZINC000277607546	782851254	/nfs/dbraw/zinc/85/12/54/782851254.db2.gz	NCKHZUUIJRKCKZ-QGZVFWFLSA-N	1	0	361.442	1.419	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H]1C	ZINC001020599812	770948358	/nfs/dbraw/zinc/94/83/58/770948358.db2.gz	TYDGJXBTAVYWLD-WJWMFLMHSA-N	1	0	363.502	1.413	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1C	ZINC001020598898	770954105	/nfs/dbraw/zinc/95/41/05/770954105.db2.gz	ZUIGWTMFHJDQCZ-RANZSIQMSA-N	1	0	363.502	1.415	20	30		FDEDRO
Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1	ZINC001020603478	770974846	/nfs/dbraw/zinc/97/48/46/770974846.db2.gz	BJIXWAIDMVXBAL-QBPKDAKJSA-N	1	0	367.428	1.971	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(=O)NC)cc2)C1	ZINC000970014841	771202940	/nfs/dbraw/zinc/20/29/40/771202940.db2.gz	NLWOKHSVELBTEM-KURKYZTESA-N	1	0	357.454	1.328	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1	ZINC000970038290	771239888	/nfs/dbraw/zinc/23/98/88/771239888.db2.gz	MUIWHVHCASRSEE-MTNOOBJLSA-N	1	0	355.438	1.825	20	30		FDEDRO
Cc1cc(C)c(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)s1	ZINC001104242473	771685102	/nfs/dbraw/zinc/68/51/02/771685102.db2.gz	DGAFJZIJVCEHTK-UKRRQHHQSA-N	1	0	362.499	1.693	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cn(C)nc2C2CC2)C[C@H]1C	ZINC001104244256	771721409	/nfs/dbraw/zinc/72/14/09/771721409.db2.gz	WYHQHDIVVYABFK-NVXWUHKLSA-N	1	0	358.486	1.635	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NCCC)C1	ZINC001104245679	771777261	/nfs/dbraw/zinc/77/72/61/771777261.db2.gz	WCASKGDWIQXPKP-HZPDHXFCSA-N	1	0	366.506	1.653	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)CC4CCCC4)[C@@H]3C2)CC1	ZINC001020988244	771780385	/nfs/dbraw/zinc/78/03/85/771780385.db2.gz	GXWJWNICLRYNRI-VQTJNVASSA-N	1	0	371.525	1.971	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(CCc3ccns3)C[C@@H]21	ZINC001083198936	771826639	/nfs/dbraw/zinc/82/66/39/771826639.db2.gz	ZDHDUFVIMNJGTN-LTIDMASMSA-N	1	0	363.483	1.188	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@H+](CCO)C2CCOCC2)c(OC)c1	ZINC000275494746	771848191	/nfs/dbraw/zinc/84/81/91/771848191.db2.gz	GENRRIQQIRVYRF-SFHVURJKSA-N	1	0	365.470	1.637	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+][C@H](C)C(=O)NCC(C)C)CC1	ZINC001167277773	771857290	/nfs/dbraw/zinc/85/72/90/771857290.db2.gz	UGKLVJUOMZGKFY-ZACQAIPSSA-N	1	0	365.518	1.614	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1	ZINC000430418023	771884619	/nfs/dbraw/zinc/88/46/19/771884619.db2.gz	NQEQMVNECLUZMF-QZTJIDSGSA-N	1	0	363.502	1.418	20	30		FDEDRO
C[C@H](NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1C[NH+](Cc2cccc(C#N)c2)C1	ZINC000970178564	771915922	/nfs/dbraw/zinc/91/59/22/771915922.db2.gz	JFSIAJGVNNWCLD-WCAUJFKASA-N	1	0	351.450	1.918	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)c4ccoc4)[C@@H]3C2)CC1	ZINC001021076845	772063518	/nfs/dbraw/zinc/06/35/18/772063518.db2.gz	SFNXRWBYLYKJQT-FUHWJXTLSA-N	1	0	355.438	1.298	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1C	ZINC001104258184	772481919	/nfs/dbraw/zinc/48/19/19/772481919.db2.gz	XSRLHMDNOSTONV-OWCLPIDISA-N	1	0	359.536	1.355	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cncn1	ZINC001021260685	772673474	/nfs/dbraw/zinc/67/34/74/772673474.db2.gz	YXQYPBWIQIQRAA-FVAVCCDCSA-N	1	0	359.474	1.371	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1nnc(C)[nH]1	ZINC001021260256	772681929	/nfs/dbraw/zinc/68/19/29/772681929.db2.gz	HAQNZYVNQALJDO-VEDBGLOESA-N	1	0	359.474	1.706	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCN3CCNC3=O)C2)CCC1	ZINC001104279746	772755921	/nfs/dbraw/zinc/75/59/21/772755921.db2.gz	NROPWVJUVNLKRH-IAGOWNOFSA-N	1	0	360.502	1.279	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(CC#C)CCC2)C[C@H]1C	ZINC001104279762	772755987	/nfs/dbraw/zinc/75/59/87/772755987.db2.gz	OIGRIARRNZTVNZ-FGTMMUONSA-N	1	0	357.498	1.392	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CN(C)CCO3)[C@@H]2C1	ZINC001021294200	772783626	/nfs/dbraw/zinc/78/36/26/772783626.db2.gz	SLJDVHYFJXMASR-RRFJBIMHSA-N	1	0	369.893	1.155	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)[C@@H]2C1	ZINC001021294201	772783663	/nfs/dbraw/zinc/78/36/63/772783663.db2.gz	SLJDVHYFJXMASR-ZNMIVQPWSA-N	1	0	369.893	1.155	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cc3c([nH]2)CCOC3)C[C@H]1C	ZINC001104284095	772834321	/nfs/dbraw/zinc/83/43/21/772834321.db2.gz	PKRJLLPKUNFUHI-HZPDHXFCSA-N	1	0	359.470	1.425	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1	ZINC001021326334	772915685	/nfs/dbraw/zinc/91/56/85/772915685.db2.gz	WJBYKWYMSNYYNK-CGTJXYLNSA-N	1	0	369.469	1.432	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@@H]3CCCC[C@H]13)C2	ZINC001112486226	772952929	/nfs/dbraw/zinc/95/29/29/772952929.db2.gz	GRRDKRZTTKTCHF-HQMXNFIDSA-N	1	0	372.513	1.671	20	30		FDEDRO
NC(=O)[C@@H]1C[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1	ZINC001021382623	773113031	/nfs/dbraw/zinc/11/30/31/773113031.db2.gz	ZPFHRDXYIJIMDF-TZOQOTQKSA-N	1	0	351.450	1.271	20	30		FDEDRO
C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)NCC#C[C@@H]3CCCCO3)cc21	ZINC000891112695	773295957	/nfs/dbraw/zinc/29/59/57/773295957.db2.gz	MXJJIIIGLBSIKP-INIZCTEOSA-N	1	0	370.453	1.606	20	30		FDEDRO
C[NH+]1CCN(Cc2ccc(C(=O)NCC#C[C@@H]3CCCCO3)cc2)CC1	ZINC000891127202	773343597	/nfs/dbraw/zinc/34/35/97/773343597.db2.gz	SSTKHMXMTNUOSB-FQEVSTJZSA-N	1	0	355.482	1.736	20	30		FDEDRO
C#CC1(F)CN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCSCC2)C1	ZINC000891168733	773522706	/nfs/dbraw/zinc/52/27/06/773522706.db2.gz	HFHXVYBGVZQZLS-UHFFFAOYSA-N	1	0	361.442	1.358	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC(C)(C)COC)C2	ZINC001112493428	773798061	/nfs/dbraw/zinc/79/80/61/773798061.db2.gz	WQGDICHZWYDSNB-PXNSSMCTSA-N	1	0	350.503	1.917	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCC2)C1	ZINC001104293859	773874825	/nfs/dbraw/zinc/87/48/25/773874825.db2.gz	IZHLSNBBXLIRTB-IAGOWNOFSA-N	1	0	358.486	1.594	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)COCC2CCCC2)C[C@H]1C	ZINC001104301066	774339283	/nfs/dbraw/zinc/33/92/83/774339283.db2.gz	RKMWLYHCBQTAGG-SJLPKXTDSA-N	1	0	365.518	1.570	20	30		FDEDRO
N#CC[C@H](NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C(F)(F)F	ZINC000932910741	774374202	/nfs/dbraw/zinc/37/42/02/774374202.db2.gz	MISPCBDNGAHREU-IHRRRGAJSA-N	1	0	362.396	1.898	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOC2CCC2)C1	ZINC001104305975	774436946	/nfs/dbraw/zinc/43/69/46/774436946.db2.gz	DADHFGGJTXXUDU-GGPKGHCWSA-N	1	0	361.530	1.727	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cncn2C)C1	ZINC001104306252	774441850	/nfs/dbraw/zinc/44/18/50/774441850.db2.gz	SYMFTUGLHQCEQK-LMMKCTJWSA-N	1	0	357.502	1.092	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000275915374	774499087	/nfs/dbraw/zinc/49/90/87/774499087.db2.gz	LJJQSKIUJFGAMY-SJORKVTESA-N	1	0	352.438	1.533	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)CCNC(=O)c2ccsc2)C[C@H]1C	ZINC001104316207	774745857	/nfs/dbraw/zinc/74/58/57/774745857.db2.gz	NUEQOSCXOMLUKJ-HZPDHXFCSA-N	1	0	361.511	1.966	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2c(C)ncn2C)C[C@H]1C	ZINC001104320914	774931024	/nfs/dbraw/zinc/93/10/24/774931024.db2.gz	KMTYCBKEPDQWGY-VNQPRFMTSA-N	1	0	361.490	1.107	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc3cc[nH]c3n2)C[C@H]1C	ZINC001104322487	774946086	/nfs/dbraw/zinc/94/60/86/774946086.db2.gz	NDQXOJDMNSAXSC-GDBMZVCRSA-N	1	0	369.469	1.553	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[NH+]1CCC(CO)(Cc2ccccc2)CC1	ZINC000277762078	783227301	/nfs/dbraw/zinc/22/73/01/783227301.db2.gz	MJAVQMFVMPXNBA-UHFFFAOYSA-N	1	0	368.481	1.960	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2ccc3cnn(CC(=O)OC)c3c2)CC1	ZINC000933056258	775121529	/nfs/dbraw/zinc/12/15/29/775121529.db2.gz	KYNADICIFIPFIL-UHFFFAOYSA-N	1	0	371.441	1.981	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[NH+]1CCC2(CC1)C[C@@H](O)CCO2	ZINC000933056544	775123031	/nfs/dbraw/zinc/12/30/31/775123031.db2.gz	QMOFPROLWIRDDK-INIZCTEOSA-N	1	0	368.433	1.292	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCCN(C(=O)CCC)C3)[C@H]2C1	ZINC001083281739	790363523	/nfs/dbraw/zinc/36/35/23/790363523.db2.gz	ARDGOPBHDRULEQ-OKZBNKHCSA-N	1	0	363.502	1.513	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21	ZINC001021797434	775667088	/nfs/dbraw/zinc/66/70/88/775667088.db2.gz	QDJKIBKMYNZAPR-MLHJIOFPSA-N	1	0	361.486	1.123	20	30		FDEDRO
N#CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1	ZINC000276079908	775718564	/nfs/dbraw/zinc/71/85/64/775718564.db2.gz	UJIUGEKBWZYUMM-MRXNPFEDSA-N	1	0	356.426	1.614	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)c4ccc[nH]4)[C@@H]3C2)CC1	ZINC000971302718	775757947	/nfs/dbraw/zinc/75/79/47/775757947.db2.gz	OLLBRIDSAXSEAD-SJLPKXTDSA-N	1	0	354.454	1.033	20	30		FDEDRO
Cc1nn(C)cc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC001087151634	776016283	/nfs/dbraw/zinc/01/62/83/776016283.db2.gz	CJKOLBGJTPNYSD-ACJLOTCBSA-N	1	0	354.458	1.959	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2COCCN2C)[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001087152439	776096304	/nfs/dbraw/zinc/09/63/04/776096304.db2.gz	DJNOOVBZTKJKEN-UXPWSPDFSA-N	1	0	370.497	1.606	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@H]1C	ZINC001104349172	776341119	/nfs/dbraw/zinc/34/11/19/776341119.db2.gz	HURYQVDRSUKIFF-HUUCEWRRSA-N	1	0	354.516	1.462	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cc3c[nH]ccc-3n2)C[C@H]1C	ZINC001104352483	776651875	/nfs/dbraw/zinc/65/18/75/776651875.db2.gz	YXCJWHJIFMHGBN-HZPDHXFCSA-N	1	0	354.454	1.901	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@@H]2C[N@H+](CCO)CC[C@@H]2c2ccc(F)cc2)c[nH]1	ZINC001075420223	776782073	/nfs/dbraw/zinc/78/20/73/776782073.db2.gz	VBYJNCKUMTXRFH-VQIMIIECSA-N	1	0	370.428	1.853	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C2CCCC2)C[C@H]1c1ccccc1	ZINC001211514748	776865435	/nfs/dbraw/zinc/86/54/35/776865435.db2.gz	FDNTUHQEZKTYJF-FFZOFVMBSA-N	1	0	367.493	1.899	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cc1	ZINC000892714536	790488539	/nfs/dbraw/zinc/48/85/39/790488539.db2.gz	QGUMHQACJYLOAC-MSOLQXFVSA-N	1	0	358.442	1.330	20	30		FDEDRO
Cc1nsc(N(C)C(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c1C#N	ZINC000891424027	777015334	/nfs/dbraw/zinc/01/53/34/777015334.db2.gz	QDFCAUKZUKCGQD-HIFRSBDPSA-N	1	0	358.471	1.755	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2cnc[nH]c2=O)C1	ZINC001075420932	777053758	/nfs/dbraw/zinc/05/37/58/777053758.db2.gz	BROPDAFMKQSYSS-NVXWUHKLSA-N	1	0	368.412	1.790	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2cnn(C)c2N)C1	ZINC001075420956	777055336	/nfs/dbraw/zinc/05/53/36/777055336.db2.gz	CLTVGEUJFJRGOK-NVXWUHKLSA-N	1	0	369.444	1.610	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CCO[C@@H]3C[N@@H+](CC[C@H](C)F)C[C@@H]32)nn1	ZINC001083219608	777242229	/nfs/dbraw/zinc/24/22/29/777242229.db2.gz	FQQVUMOVTVBACN-CWRNSKLLSA-N	1	0	351.426	1.128	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2nnn(C)n2)C1	ZINC001075422225	777279686	/nfs/dbraw/zinc/27/96/86/777279686.db2.gz	SESNUKXISFDRKO-NVXWUHKLSA-N	1	0	370.432	1.208	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2nccc(C)n2)C1=O	ZINC001087159185	777446175	/nfs/dbraw/zinc/44/61/75/777446175.db2.gz	KEDXIJDDGKWQEM-HYVNUMGLSA-N	1	0	371.485	1.402	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@H]([N@H+](C)Cc3ccc(C#N)s3)C2)C1	ZINC000971550487	777560492	/nfs/dbraw/zinc/56/04/92/777560492.db2.gz	WBPPLVHUHRGDAW-DVOMOZLQSA-N	1	0	360.483	1.567	20	30		FDEDRO
Cc1cc(NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CC[N@@H+]2C3)c(C#N)cn1	ZINC000581663360	777603926	/nfs/dbraw/zinc/60/39/26/777603926.db2.gz	SZDZTEJIVVIMJY-OALUTQOASA-N	1	0	361.449	1.694	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccco2)C[C@H]1c1ccccc1	ZINC001211517180	777655991	/nfs/dbraw/zinc/65/59/91/777655991.db2.gz	QHWGSLNAZJCHMJ-RYQLBKOJSA-N	1	0	365.433	1.615	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1	ZINC000971567936	777679513	/nfs/dbraw/zinc/67/95/13/777679513.db2.gz	CKXLGMWBPAKTNO-SOLBZPMBSA-N	1	0	356.470	1.441	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cn(C)nn2)[C@H](C[NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC001087161286	777962854	/nfs/dbraw/zinc/96/28/54/777962854.db2.gz	CYQTWXWBILWHPW-CJNGLKHVSA-N	1	0	370.432	1.856	20	30		FDEDRO
C[C@@](CO)(Cc1ccccc1F)[NH2+]C[C@H](O)CC1(C#N)CCOCC1	ZINC000933430424	778109975	/nfs/dbraw/zinc/10/99/75/778109975.db2.gz	OHYBDSFATZJORU-AEFFLSMTSA-N	1	0	350.434	1.780	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1	ZINC000891501072	778152407	/nfs/dbraw/zinc/15/24/07/778152407.db2.gz	YYCPOIXBNONCQR-OCCSQVGLSA-N	1	0	356.348	1.868	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N[C@]34CCC[C@@H]3[NH2+]CC4)CC2)nc1	ZINC000891501043	778152611	/nfs/dbraw/zinc/15/26/11/778152611.db2.gz	YCVMRBJUENURAM-LPHOPBHVSA-N	1	0	354.458	1.506	20	30		FDEDRO
C[NH+]=C(NC[C@H](O)c1cc(OC)ccc1OC)N1CC[C@]2(CCOC2)C1	ZINC000261958571	778282756	/nfs/dbraw/zinc/28/27/56/778282756.db2.gz	JMRKNUYKPZXGDN-LPHOPBHVSA-N	1	0	363.458	1.425	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)C[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)cc1	ZINC001022212139	778633804	/nfs/dbraw/zinc/63/38/04/778633804.db2.gz	ZUHMDBIUZZGSGA-YSIASYRMSA-N	1	0	365.477	1.683	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(=O)NC)C1	ZINC001112506978	778742408	/nfs/dbraw/zinc/74/24/08/778742408.db2.gz	PUOUWVYUVAAYCD-LIRRHRJNSA-N	1	0	364.490	1.263	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccsc2)C[C@H]1c1ccccc1	ZINC001211522140	778954720	/nfs/dbraw/zinc/95/47/20/778954720.db2.gz	DALWLMPWEZKUBO-ZWKOTPCHSA-N	1	0	367.474	1.695	20	30		FDEDRO
CC(C)N1CC[NH+](C2CCN(C([O-])=[NH+][C@H]3CCc4c[nH]nc4C3)CC2)CC1	ZINC000328852646	778994027	/nfs/dbraw/zinc/99/40/27/778994027.db2.gz	VTHNBIVVWZEXBE-KRWDZBQOSA-N	1	0	374.533	1.671	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccoc2C)C[C@H]1c1ccccc1	ZINC001211522485	779109335	/nfs/dbraw/zinc/10/93/35/779109335.db2.gz	VIEDOTKPVBSTMQ-RBUKOAKNSA-N	1	0	365.433	1.535	20	30		FDEDRO
C[C@]12C[NH2+]C[C@H]1CN(C(=O)N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2	ZINC000891764419	779303122	/nfs/dbraw/zinc/30/31/22/779303122.db2.gz	IQFHXKDQHHQESD-RIFZZMRRSA-N	1	0	367.453	1.305	20	30		FDEDRO
COC(=O)c1cc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c[nH]1	ZINC000276766120	779416830	/nfs/dbraw/zinc/41/68/30/779416830.db2.gz	AQDRPEOYTVXPLD-INIZCTEOSA-N	1	0	352.394	1.564	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@H]1CCCNC1=O	ZINC001087175529	779461481	/nfs/dbraw/zinc/46/14/81/779461481.db2.gz	RVPRGOCWHUHUOD-IKGGRYGDSA-N	1	0	358.486	1.783	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)o2)C[C@H]1C	ZINC001104384766	779722701	/nfs/dbraw/zinc/72/27/01/779722701.db2.gz	HONJEMQPVSINNC-CHWSQXEVSA-N	1	0	355.460	1.191	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@](O)(C2(C(=O)OC)CCC2)C1	ZINC000933843564	779856203	/nfs/dbraw/zinc/85/62/03/779856203.db2.gz	YMRBSDLUCHDCCF-OXQOHEQNSA-N	1	0	364.486	1.746	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1	ZINC000971851625	779989814	/nfs/dbraw/zinc/98/98/14/779989814.db2.gz	VLWSDEBBECGNGW-UWWQBHOKSA-N	1	0	369.469	1.434	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1	ZINC001022424289	780030561	/nfs/dbraw/zinc/03/05/61/780030561.db2.gz	SKACCIUZHWEABJ-JENIJYKNSA-N	1	0	370.497	1.831	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1c1ccccc1	ZINC001211526729	780067253	/nfs/dbraw/zinc/06/72/53/780067253.db2.gz	SUODZIAZQBUWBN-HHXXYDBFSA-N	1	0	364.449	1.350	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H](F)C(C)C)[C@@H]3C2)CC1	ZINC001022436231	780163454	/nfs/dbraw/zinc/16/34/54/780163454.db2.gz	YDGOPJKVOPTZHZ-KSZLIROESA-N	1	0	363.477	1.385	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cccnc2C2CC2)C[C@H]1C	ZINC001104387390	780221564	/nfs/dbraw/zinc/22/15/64/780221564.db2.gz	WDUPDNSPSQJTNI-NVXWUHKLSA-N	1	0	368.481	1.396	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)[N@H+](C)C1	ZINC000329012712	780863588	/nfs/dbraw/zinc/86/35/88/780863588.db2.gz	IUROKJXEULLUPS-DEYYWGMASA-N	1	0	360.414	1.962	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2C)C[C@H]1c1ccccc1	ZINC001211532003	780881517	/nfs/dbraw/zinc/88/15/17/780881517.db2.gz	GFXOJTBQPAGEMR-VQTJNVASSA-N	1	0	366.465	1.576	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCNC1=O)C2	ZINC001112508638	781008406	/nfs/dbraw/zinc/00/84/06/781008406.db2.gz	OMGFNQDOAYHEQL-XEZPLFJOSA-N	1	0	370.291	1.249	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)C(=O)NC(=O)NC)C1	ZINC001112509144	781039291	/nfs/dbraw/zinc/03/92/91/781039291.db2.gz	LQBNTHDMKIPLNP-TYILLQQXSA-N	1	0	364.490	1.261	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(C)ccc2OC)C[C@H]1C	ZINC001104396366	781184754	/nfs/dbraw/zinc/18/47/54/781184754.db2.gz	HDMWMKFCBKTWLC-IAGOWNOFSA-N	1	0	371.481	1.441	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[C@@H]1C)C2	ZINC001112510319	781494255	/nfs/dbraw/zinc/49/42/55/781494255.db2.gz	ICZVXCMDGBMHKD-BOSXTWCSSA-N	1	0	360.502	1.623	20	30		FDEDRO
CCOCCCNC(=[NH2+])NC[C@@H](c1ccc(OC)cc1)N1CCOCC1	ZINC000104154458	781541885	/nfs/dbraw/zinc/54/18/85/781541885.db2.gz	NANSSASQPXDJAA-SFHVURJKSA-N	1	0	364.490	1.399	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@H]1C	ZINC001104398320	781650831	/nfs/dbraw/zinc/65/08/31/781650831.db2.gz	FRDHWWYBLAHERK-YUELXQCFSA-N	1	0	356.898	1.604	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2c[nH]nc2C)C1=O	ZINC001087197073	781699340	/nfs/dbraw/zinc/69/93/40/781699340.db2.gz	WBZMPDVJHOWVHJ-KMFMINBZSA-N	1	0	359.474	1.335	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)NC1CCC(N3CC[NH2+]CC3)CC1)C2	ZINC000892132818	781702967	/nfs/dbraw/zinc/70/29/67/781702967.db2.gz	WDCKJLMUFWMKFI-IOJLRTSASA-N	1	0	367.497	1.541	20	30		FDEDRO
N#CCSCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C[C@H]2CCOC2)C1	ZINC001211537779	781741660	/nfs/dbraw/zinc/74/16/60/781741660.db2.gz	AYKIMNBBYHBJBN-BPQIPLTHSA-N	1	0	359.495	1.864	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cc4c(cc3O)OCO4)C2=O)cc1	ZINC000277446437	781915949	/nfs/dbraw/zinc/91/59/49/781915949.db2.gz	OWRQWXSYYSWGNE-INIZCTEOSA-N	1	0	365.389	1.883	20	30		FDEDRO
Cn1cc([C@@H]2CN([C@@H]3CCN(c4sccc4C#N)C3=O)C[C@H]2CO)cn1	ZINC000277766512	783242949	/nfs/dbraw/zinc/24/29/49/783242949.db2.gz	MREVPOLLOVRUMY-HRCADAONSA-N	1	0	371.466	1.166	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]21	ZINC000972339485	783342806	/nfs/dbraw/zinc/34/28/06/783342806.db2.gz	HHIUBGOLLIFKLP-RBSFLKMASA-N	1	0	353.894	1.919	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C)n2)C[C@H]1c1ccccc1	ZINC001211554561	783416858	/nfs/dbraw/zinc/41/68/58/783416858.db2.gz	CTAXCGQXRWDHMC-FUHWJXTLSA-N	1	0	367.453	1.218	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCc3cnc(C)n3C1)C2	ZINC001112518410	783630724	/nfs/dbraw/zinc/63/07/24/783630724.db2.gz	HVRCWTQXNJUBLT-WFXMLNOXSA-N	1	0	354.498	1.996	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1	ZINC001024120460	783756970	/nfs/dbraw/zinc/75/69/70/783756970.db2.gz	DTZVRYQUJZNRSZ-BZUAXINKSA-N	1	0	351.491	1.151	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N(CC)[C@@H]2CC[N@H+](C)C2)cc1	ZINC000658357752	783939417	/nfs/dbraw/zinc/93/94/17/783939417.db2.gz	RWVOVNTXEXBFGB-MRXNPFEDSA-N	1	0	358.442	1.094	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ncnn2CCC)C1	ZINC001024165870	784175568	/nfs/dbraw/zinc/17/55/68/784175568.db2.gz	XBUZAVHYPYUTEN-BBWFWOEESA-N	1	0	361.490	1.607	20	30		FDEDRO
CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC(=O)NCC#N	ZINC000377047679	791005376	/nfs/dbraw/zinc/00/53/76/791005376.db2.gz	HTCBVAOPRXCZCV-QGZVFWFLSA-N	1	0	357.458	1.180	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C[C@H]2O)C1	ZINC001025548774	791005829	/nfs/dbraw/zinc/00/58/29/791005829.db2.gz	OFMQIWKIOFJKLB-GVDBMIGSSA-N	1	0	363.502	1.153	20	30		FDEDRO
CN(CC1(C)CC[NH+](Cc2ccccc2)CC1)C(=O)NCC(=O)NCC#N	ZINC000377068178	791022842	/nfs/dbraw/zinc/02/28/42/791022842.db2.gz	QPDRNBWDEDRXHK-UHFFFAOYSA-N	1	0	371.485	1.570	20	30		FDEDRO
C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C	ZINC001024490156	784889401	/nfs/dbraw/zinc/88/94/01/784889401.db2.gz	IFQBNAPMQGUEDE-RCCFBDPRSA-N	1	0	358.486	1.882	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1c1ccccc1	ZINC001211631971	784940721	/nfs/dbraw/zinc/94/07/21/784940721.db2.gz	ZTUOAHDGJNNXGH-OKZBNKHCSA-N	1	0	360.479	1.029	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1CNC(=O)NCC#C[C@H]1CCCCO1	ZINC000892479762	785069778	/nfs/dbraw/zinc/06/97/78/785069778.db2.gz	NPTFSWBUXTYRMN-GOSISDBHSA-N	1	0	359.470	1.999	20	30		FDEDRO
CN(C[C@@H]1CC[N@H+](C)C1)C(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000364520110	785080617	/nfs/dbraw/zinc/08/06/17/785080617.db2.gz	VIIXQDCRDQEEGF-MSOLQXFVSA-N	1	0	354.454	1.459	20	30		FDEDRO
CN(C(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1)[C@H]1CCC[N@H+](C)C1	ZINC000364971308	785250252	/nfs/dbraw/zinc/25/02/52/785250252.db2.gz	DLARNRIXKJVBKJ-ROUUACIJSA-N	1	0	354.454	1.602	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)n1	ZINC000892493948	785275875	/nfs/dbraw/zinc/27/58/75/785275875.db2.gz	VWMYUFXKFYYREK-INIZCTEOSA-N	1	0	361.490	1.453	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCC#CCO	ZINC000923784837	786873773	/nfs/dbraw/zinc/87/37/73/786873773.db2.gz	MNAHTHQHGZQNCY-UHFFFAOYSA-N	1	0	368.275	1.518	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccc(C#N)cc2)O1	ZINC001024998633	787108893	/nfs/dbraw/zinc/10/88/93/787108893.db2.gz	HWIDCDLBBJXPIC-NSISKUIASA-N	1	0	370.497	1.748	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1	ZINC001025001972	787141317	/nfs/dbraw/zinc/14/13/17/787141317.db2.gz	WPJRHEPSGZDWDB-SPYBWZPUSA-N	1	0	351.491	1.151	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3CC(C)C)C2)CC1	ZINC000936124110	787302488	/nfs/dbraw/zinc/30/24/88/787302488.db2.gz	XFRYKELXOPCPCU-GUDVDZBRSA-N	1	0	359.514	1.731	20	30		FDEDRO
N#Cc1ccccc1N1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1	ZINC000892602563	787600961	/nfs/dbraw/zinc/60/09/61/787600961.db2.gz	JXINTODNPRVGLJ-VBUUOAMHSA-N	1	0	353.470	1.920	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)CCCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1	ZINC001067539376	787722559	/nfs/dbraw/zinc/72/25/59/787722559.db2.gz	SGDWWLONRUWAFD-VQIMIIECSA-N	1	0	355.482	1.929	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C(N)=O)cc1	ZINC001025090829	787829386	/nfs/dbraw/zinc/82/93/86/787829386.db2.gz	QUWIBSWNKITQJN-QRVBRYPASA-N	1	0	371.481	1.847	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)C1=O	ZINC000659040556	787869081	/nfs/dbraw/zinc/86/90/81/787869081.db2.gz	GFODELGGWIUPOL-IRXDYDNUSA-N	1	0	358.442	1.598	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NCC)C1	ZINC001104561841	787886834	/nfs/dbraw/zinc/88/68/34/787886834.db2.gz	AUAIXGCACUABEB-OWCLPIDISA-N	1	0	366.506	1.509	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCCOC)C1	ZINC001104563033	787910127	/nfs/dbraw/zinc/91/01/27/787910127.db2.gz	HRVAMWYLGAUDDT-RCCFBDPRSA-N	1	0	367.534	1.816	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCOC)C2)nn1	ZINC001211685562	805838050	/nfs/dbraw/zinc/83/80/50/805838050.db2.gz	CLAGJBYSPOUNRH-ZWKOTPCHSA-N	1	0	369.469	1.698	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](CCC)S(N)(=O)=O)C[C@H]1c1ccccc1	ZINC001211642421	788020728	/nfs/dbraw/zinc/02/07/28/788020728.db2.gz	CERDLPDUHKFMGP-BBWFWOEESA-N	1	0	365.499	1.214	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC000376496217	788064003	/nfs/dbraw/zinc/06/40/03/788064003.db2.gz	VNNCSZYOSLBEPM-HOJAQTOUSA-N	1	0	370.497	1.853	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1	ZINC001025176124	788189798	/nfs/dbraw/zinc/18/97/98/788189798.db2.gz	YACQCRORONBXBW-BZUAXINKSA-N	1	0	351.491	1.009	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1	ZINC000181375641	788338091	/nfs/dbraw/zinc/33/80/91/788338091.db2.gz	BJBWNIOXHQPAKJ-KGLIPLIRSA-N	1	0	358.442	1.864	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C3CCC3)C2)CC1	ZINC000978903660	805890432	/nfs/dbraw/zinc/89/04/32/805890432.db2.gz	CMZOUXZOVPIMRK-JOCLIGHLSA-N	1	0	371.525	1.779	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000973323635	788554526	/nfs/dbraw/zinc/55/45/26/788554526.db2.gz	IKKQUDNUHKXDPH-LAQRGFTBSA-N	1	0	368.437	1.693	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)Cc3c(C)nn(C)c3C)[C@H]2C1	ZINC001083279732	788680362	/nfs/dbraw/zinc/68/03/62/788680362.db2.gz	MXWKHKNJMVDRIF-ZOCIIQOWSA-N	1	0	360.502	1.703	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2nc(Cl)cs2)C[C@H]1C	ZINC001104584238	788716697	/nfs/dbraw/zinc/71/66/97/788716697.db2.gz	YNTCUDSNGLHMON-VXGBXAGGSA-N	1	0	370.906	1.787	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3nnn(C)c3C2)C[C@H]1C	ZINC001104590285	788768827	/nfs/dbraw/zinc/76/88/27/788768827.db2.gz	KGZNRMIDCCHZOQ-IXDOHACOSA-N	1	0	359.518	1.960	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCN3CCNC3=O)C2)CC1	ZINC001104630212	789016766	/nfs/dbraw/zinc/01/67/66/789016766.db2.gz	UEMVQASRVWKNCI-SJLPKXTDSA-N	1	0	362.518	1.832	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NC)C2)CCC1	ZINC001104639743	789111539	/nfs/dbraw/zinc/11/15/39/789111539.db2.gz	UHZLGNRTTTVWKF-HUUCEWRRSA-N	1	0	364.490	1.263	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC(N)=O)C2)C1	ZINC001104656985	789194310	/nfs/dbraw/zinc/19/43/10/789194310.db2.gz	MKXKHAMSUHXONY-HZSPNIEDSA-N	1	0	350.463	1.000	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(C)(C)C)C2)c1	ZINC001104659892	789210473	/nfs/dbraw/zinc/21/04/73/789210473.db2.gz	YVUGZJQSAHUIFD-NVXWUHKLSA-N	1	0	370.497	1.665	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nccn3C)C2)c1	ZINC001104659908	789210480	/nfs/dbraw/zinc/21/04/80/789210480.db2.gz	ZPONNBKFMXXYMC-NVXWUHKLSA-N	1	0	351.454	1.684	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1C	ZINC001104671935	789281969	/nfs/dbraw/zinc/28/19/69/789281969.db2.gz	BAXBPOLSIGZLPO-ZJPYXAASSA-N	1	0	365.518	1.663	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CC[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001104687089	789378685	/nfs/dbraw/zinc/37/86/85/789378685.db2.gz	XCSZQVNLZIGSQO-YYQUZTFQSA-N	1	0	372.444	1.393	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1	ZINC000659674193	789453796	/nfs/dbraw/zinc/45/37/96/789453796.db2.gz	QXFOFTNTUKWDBT-SQNIBIBYSA-N	1	0	363.502	1.322	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1	ZINC001025436816	789544532	/nfs/dbraw/zinc/54/45/32/789544532.db2.gz	PIWZLVKNRQGULA-IAGOWNOFSA-N	1	0	365.518	1.397	20	30		FDEDRO
N#Cc1ccc([C@@H]2CN(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CCO2)cc1	ZINC000892820024	791335756	/nfs/dbraw/zinc/33/57/56/791335756.db2.gz	UREGKXWNZHEIPJ-QRVBRYPASA-N	1	0	370.453	1.504	20	30		FDEDRO
N#CCCN(Cc1ccco1)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2	ZINC000415083952	791365569	/nfs/dbraw/zinc/36/55/69/791365569.db2.gz	OJTBPUDOSJQQTC-UHFFFAOYSA-N	1	0	352.394	1.806	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2	ZINC000415200965	791632157	/nfs/dbraw/zinc/63/21/57/791632157.db2.gz	CSDDKNLFDKZISN-CXAGYDPISA-N	1	0	361.417	1.507	20	30		FDEDRO
CC(C)(C)c1cc(NC(=O)C(=O)NCCC[NH3+])n(-c2ccc(C#N)cc2)n1	ZINC000415293366	791861629	/nfs/dbraw/zinc/86/16/29/791861629.db2.gz	NOZWLVSIVYLMPD-UHFFFAOYSA-N	1	0	368.441	1.445	20	30		FDEDRO
N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N[C@H]1CCC[NH2+]C1	ZINC000415317134	791922291	/nfs/dbraw/zinc/92/22/91/791922291.db2.gz	PGKONXOGIRQITN-AWEZNQCLSA-N	1	0	365.393	1.552	20	30		FDEDRO
CC1(C)C[NH2+]CC[C@@H]1NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000415436975	792271722	/nfs/dbraw/zinc/27/17/22/792271722.db2.gz	KBRHQZWKCYBVDL-HNNXBMFYSA-N	1	0	356.405	2.393	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)NC[C@@H]([NH3+])C(C)C)c(C#N)cn1CCOC	ZINC000415483207	792338861	/nfs/dbraw/zinc/33/88/61/792338861.db2.gz	GPFNYSSZXGCYGM-CYBMUJFWSA-N	1	0	365.434	1.288	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)NCC2([NH3+])CCC2)c(C#N)cn1CCOC	ZINC000415487904	792354385	/nfs/dbraw/zinc/35/43/85/792354385.db2.gz	LCZITJLFYKEMKR-UHFFFAOYSA-N	1	0	363.418	1.186	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH]c4ncccc34)[C@H]2C1	ZINC001083286462	792371301	/nfs/dbraw/zinc/37/13/01/792371301.db2.gz	LIVBHZVVSCYFSY-ZWKOTPCHSA-N	1	0	354.454	1.983	20	30		FDEDRO
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NCC2([NH3+])CCC2)c1C	ZINC000415564376	792537402	/nfs/dbraw/zinc/53/74/02/792537402.db2.gz	QDDZDPXZVHLFCY-UHFFFAOYSA-N	1	0	366.425	1.297	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3CCC)C2)CC1	ZINC000979281845	806167533	/nfs/dbraw/zinc/16/75/33/806167533.db2.gz	YSSKAWJMSNCRKB-OQIJWPOYSA-N	1	0	359.514	1.779	20	30		FDEDRO
C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	ZINC000415609940	792685810	/nfs/dbraw/zinc/68/58/10/792685810.db2.gz	HRBRZOABRWZLHU-FZMZJTMJSA-N	1	0	369.450	1.734	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3cc4ccccc4n3C)[C@H]2C1	ZINC001083288020	792831499	/nfs/dbraw/zinc/83/14/99/792831499.db2.gz	KGQCBZDPGFNYKT-VQTJNVASSA-N	1	0	351.450	1.656	20	30		FDEDRO
COC[C@@]1(CNC(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CCC[NH2+]1	ZINC000415710629	792853509	/nfs/dbraw/zinc/85/35/09/792853509.db2.gz	QZOBZTVNFISCRQ-IBGZPJMESA-N	1	0	374.441	1.169	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1C(F)(F)F	ZINC000415743161	792896392	/nfs/dbraw/zinc/89/63/92/792896392.db2.gz	KDPOEMFKZDBNDF-RYUDHWBXSA-N	1	0	366.343	1.583	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1C(F)(F)F	ZINC000415743157	792896531	/nfs/dbraw/zinc/89/65/31/792896531.db2.gz	KDPOEMFKZDBNDF-NEPJUHHUSA-N	1	0	366.343	1.583	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1C(F)(F)F	ZINC000415774251	792957541	/nfs/dbraw/zinc/95/75/41/792957541.db2.gz	XYHDWUIOVXEMLZ-RISCZKNCSA-N	1	0	366.343	1.726	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1	ZINC000415787525	792992835	/nfs/dbraw/zinc/99/28/35/792992835.db2.gz	QDCONUYHZICEOC-YOEHRIQHSA-N	1	0	356.426	1.518	20	30		FDEDRO
[NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1	ZINC000415844163	793164019	/nfs/dbraw/zinc/16/40/19/793164019.db2.gz	SWLGKEPFZLCNGF-VQIMIIECSA-N	1	0	362.433	1.664	20	30		FDEDRO
CCCc1c(NC(=O)C(=O)N(C)CC[NH3+])cnn1-c1cccc(C#N)c1	ZINC000415877588	793262164	/nfs/dbraw/zinc/26/21/64/793262164.db2.gz	JENHRBRQCSZVQW-UHFFFAOYSA-N	1	0	354.414	1.052	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3cnccn3)C[C@H]21	ZINC001026096143	793284615	/nfs/dbraw/zinc/28/46/15/793284615.db2.gz	QWSGNULSDIRIEU-KQHFAPEESA-N	1	0	356.470	1.955	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)Nc3ccc(OCC[NH3+])cc3)CC2)c1	ZINC000415939401	793410549	/nfs/dbraw/zinc/41/05/49/793410549.db2.gz	QYSNZYZUOLUKEW-UHFFFAOYSA-N	1	0	366.425	1.645	20	30		FDEDRO
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1	ZINC000468640400	793417451	/nfs/dbraw/zinc/41/74/51/793417451.db2.gz	IEQQSRMYZSBZQI-LJQANCHMSA-N	1	0	370.497	1.953	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOC(C)C)C1	ZINC001104757756	793487339	/nfs/dbraw/zinc/48/73/39/793487339.db2.gz	LBOYETFURBYEKN-BHIYHBOVSA-N	1	0	367.534	1.957	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccsc2Cl)C[C@H]1C	ZINC001104757821	793488395	/nfs/dbraw/zinc/48/83/95/793488395.db2.gz	ODFJTYATGSEXMZ-CHWSQXEVSA-N	1	0	367.902	1.839	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccccc2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104761373	793531959	/nfs/dbraw/zinc/53/19/59/793531959.db2.gz	GYDBOJSADPJIDB-OWYHZJEWSA-N	1	0	368.481	1.504	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1CC[NH2+]CC#Cc1ccccc1	ZINC001104765434	793537595	/nfs/dbraw/zinc/53/75/95/793537595.db2.gz	DRKKBAKNGWMLJP-IEBWSBKVSA-N	1	0	355.482	1.591	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCC3CC[NH+](C)CC3)C2)n1	ZINC000365772581	793928623	/nfs/dbraw/zinc/92/86/23/793928623.db2.gz	FITGTRSPLFILRJ-GOSISDBHSA-N	1	0	355.486	1.936	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccc(OC)o2)C[C@H]1C	ZINC001104828529	793936380	/nfs/dbraw/zinc/93/63/80/793936380.db2.gz	JSVQKIWBBZSVIQ-QLFBSQMISA-N	1	0	363.458	1.667	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cnn(CC)c2C)C[C@H]1C	ZINC001104825699	793938957	/nfs/dbraw/zinc/93/89/57/793938957.db2.gz	HJCDRDNSROGLFD-GDBMZVCRSA-N	1	0	361.490	1.201	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2c[nH]cc2C2CC2)C[C@H]1C	ZINC001104853425	794078905	/nfs/dbraw/zinc/07/89/05/794078905.db2.gz	BLVMEEKIEKYMPN-GDBMZVCRSA-N	1	0	358.486	1.882	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C	ZINC001104901929	794309008	/nfs/dbraw/zinc/30/90/08/794309008.db2.gz	ZKOSXCBXUPQMLH-OWCLPIDISA-N	1	0	364.490	1.309	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC=C)C2)nc1	ZINC001104923565	794417828	/nfs/dbraw/zinc/41/78/28/794417828.db2.gz	JWHAIGHHMLSKLQ-NVXWUHKLSA-N	1	0	354.454	1.053	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NCC=C)C2)nc1	ZINC001104925041	794423835	/nfs/dbraw/zinc/42/38/35/794423835.db2.gz	YHSAUMYHQILUEY-SOLBZPMBSA-N	1	0	368.481	1.441	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nnc(C)[nH]3)C2)cn1	ZINC001104927316	794429028	/nfs/dbraw/zinc/42/90/28/794429028.db2.gz	CBJUOJARWVMJFU-CZUORRHYSA-N	1	0	352.442	1.377	20	30		FDEDRO
CC[C@@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1)C(C)C	ZINC001104927630	794435804	/nfs/dbraw/zinc/43/58/04/794435804.db2.gz	NDBPCVJAKLVVNS-IXDOHACOSA-N	1	0	350.507	1.773	20	30		FDEDRO
CN1CCC(CNC(=O)N2CCO[C@@](C)(C#N)C2)([NH+]2CCCCC2)CC1	ZINC000893266643	794523250	/nfs/dbraw/zinc/52/32/50/794523250.db2.gz	ICUUSRMXWKFBPD-SFHVURJKSA-N	1	0	363.506	1.261	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2ccccc2C#C)C[C@H]1C	ZINC001104952275	794536515	/nfs/dbraw/zinc/53/65/15/794536515.db2.gz	OQMBZSQNZXMXFD-YLJYHZDGSA-N	1	0	365.477	1.034	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C1	ZINC001104954631	794552316	/nfs/dbraw/zinc/55/23/16/794552316.db2.gz	LHUJXRZEMHZTQW-WIYYLYMNSA-N	1	0	352.478	1.934	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc3ccccc3o2)C[C@H]1C	ZINC001104978304	794715235	/nfs/dbraw/zinc/71/52/35/794715235.db2.gz	XXPSRWMJLHWLKL-NVXWUHKLSA-N	1	0	367.449	1.870	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)c2cccc(-n3cnnn3)c2)C[C@H]1C	ZINC001104996821	794800206	/nfs/dbraw/zinc/80/02/06/794800206.db2.gz	MLZNIRVUYZDTPL-NVXWUHKLSA-N	1	0	354.458	1.926	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(C)cc2)C[C@H]1C	ZINC001104998291	794816289	/nfs/dbraw/zinc/81/62/89/794816289.db2.gz	KMMUTEDVEPFKIE-QZTJIDSGSA-N	1	0	371.481	1.658	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(Oc3cnccn3)CC2)cc1	ZINC000365850811	794844431	/nfs/dbraw/zinc/84/44/31/794844431.db2.gz	UHEFEARVURDESI-INIZCTEOSA-N	1	0	354.410	1.631	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CCN2CCCC2=O)C[C@H]1C	ZINC001105026554	794970184	/nfs/dbraw/zinc/97/01/84/794970184.db2.gz	YXUZIVYTVCFAKJ-IAGOWNOFSA-N	1	0	351.491	1.276	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)CC(C)(C)C)C[C@H]1C	ZINC001105031756	794988204	/nfs/dbraw/zinc/98/82/04/794988204.db2.gz	GDUBDMXUMCABRK-IAGOWNOFSA-N	1	0	367.534	1.816	20	30		FDEDRO
CC[C@H](CO)[NH+]1CCN(C(=O)Nc2cc(C)c(N(C)C)cc2C#N)CC1	ZINC000417126003	794991221	/nfs/dbraw/zinc/99/12/21/794991221.db2.gz	CCMNWIOHISHNCT-MRXNPFEDSA-N	1	0	359.474	1.853	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3nncn3C2)C[C@H]1C	ZINC001105053983	795074129	/nfs/dbraw/zinc/07/41/29/795074129.db2.gz	GZGNPYSWQGLNES-BRWVUGGUSA-N	1	0	361.490	1.117	20	30		FDEDRO
Cc1ccc(CCC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)o1	ZINC001105059106	795092001	/nfs/dbraw/zinc/09/20/01/795092001.db2.gz	KVIDFRLTTHRAHV-GDBMZVCRSA-N	1	0	360.458	1.235	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)C2)C[C@H]1C	ZINC001105070480	795143854	/nfs/dbraw/zinc/14/38/54/795143854.db2.gz	LVLFZGDFYOYPBG-BRWVUGGUSA-N	1	0	351.491	1.132	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccn(C)c(=O)c2)C1	ZINC001105089965	795232343	/nfs/dbraw/zinc/23/23/43/795232343.db2.gz	CTSPHQPNFJKAIL-SOLBZPMBSA-N	1	0	361.486	1.551	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCCCC2)C1	ZINC001105090084	795233458	/nfs/dbraw/zinc/23/34/58/795233458.db2.gz	IHXVNCPEWVRFIK-KZNAEPCWSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCCN(C)C2=O)C1	ZINC001105090446	795234918	/nfs/dbraw/zinc/23/49/18/795234918.db2.gz	VVTNIXCZFLXRDL-BRWVUGGUSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnc(C3CC3)[nH]2)C1	ZINC001105090501	795235093	/nfs/dbraw/zinc/23/50/93/795235093.db2.gz	XOWBDEXABYCGBR-GDBMZVCRSA-N	1	0	361.490	1.849	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCc2cscn2)C[C@H]1C	ZINC001105095519	795260023	/nfs/dbraw/zinc/26/00/23/795260023.db2.gz	WLTQWQRUAATSLN-HUUCEWRRSA-N	1	0	364.515	1.452	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCCO2)C[C@H]1C	ZINC001105111729	795323400	/nfs/dbraw/zinc/32/34/00/795323400.db2.gz	NJVBGJZALFYTNI-ZACQAIPSSA-N	1	0	351.491	1.322	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@H]2COC(=O)C2)C[C@H]1C(F)(F)F	ZINC001112081861	795380806	/nfs/dbraw/zinc/38/08/06/795380806.db2.gz	OMVHAIZKUMYOOT-JHJVBQTASA-N	1	0	364.364	1.121	20	30		FDEDRO
C[C@@H](CCCC[NH3+])NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000417982411	795444828	/nfs/dbraw/zinc/44/48/28/795444828.db2.gz	AEORDVSVUBJNJP-YOEHRIQHSA-N	1	0	357.458	1.870	20	30		FDEDRO
C=C(Br)C[NH2+]C1CCC(NC(=O)[C@H]2OCCO[C@H]2C)CC1	ZINC001026509098	795480170	/nfs/dbraw/zinc/48/01/70/795480170.db2.gz	ZERIZPUHYQSJPP-ABXWRUBCSA-N	1	0	361.280	1.716	20	30		FDEDRO
C=CCCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3OCC[C@H]3C(C)C)C2)nn1	ZINC001105243114	795533201	/nfs/dbraw/zinc/53/32/01/795533201.db2.gz	VXFKGVZWSCWEGI-ROUUACIJSA-N	1	0	361.490	1.778	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC([NH2+]Cc2snnc2C)CC1	ZINC001026563968	795557811	/nfs/dbraw/zinc/55/78/11/795557811.db2.gz	QWFMLWRMTYJKGB-CVSAEHQPSA-N	1	0	350.488	1.955	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCC([NH2+]Cc2cnnn2CC)CC1	ZINC001026575264	795573319	/nfs/dbraw/zinc/57/33/19/795573319.db2.gz	JNEXLUOBUUZJBQ-RLNQZENFSA-N	1	0	361.490	1.796	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)C[C@H]1c1ccccc1	ZINC001211655775	795758988	/nfs/dbraw/zinc/75/89/88/795758988.db2.gz	XVDBHMUJGJCANK-UEXGIBASSA-N	1	0	353.466	1.510	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCC(=O)NC1(C#N)CCCCC1	ZINC000364347614	795795814	/nfs/dbraw/zinc/79/58/14/795795814.db2.gz	OFEMHFXWDBFHDS-KZNAEPCWSA-N	1	0	362.518	1.808	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)N[C@@H](C[NH3+])C3CCCCC3)CC2)n1	ZINC000418362817	795824080	/nfs/dbraw/zinc/82/40/80/795824080.db2.gz	MJVUDLREJKPRHV-KRWDZBQOSA-N	1	0	356.474	1.692	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)CC1	ZINC000364454470	796038430	/nfs/dbraw/zinc/03/84/30/796038430.db2.gz	MURGOTPSWPEKEH-UHFFFAOYSA-N	1	0	374.485	1.093	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1	ZINC000759909197	796139391	/nfs/dbraw/zinc/13/93/91/796139391.db2.gz	YLNXQIPYCYNHFV-HNNXBMFYSA-N	1	0	355.442	1.282	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)CCN3CCOCC3)[C@@H]2C1	ZINC000974530242	796270855	/nfs/dbraw/zinc/27/08/55/796270855.db2.gz	KOQYWJZTWFWKFZ-IAGOWNOFSA-N	1	0	363.502	1.370	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1	ZINC000979856950	806566379	/nfs/dbraw/zinc/56/63/79/806566379.db2.gz	RCOQBYJABBZUQJ-ZKXLYKBJSA-N	1	0	363.502	1.320	20	30		FDEDRO
C#Cc1ccc(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)cn1	ZINC000728860147	806587390	/nfs/dbraw/zinc/58/73/90/806587390.db2.gz	LJKYRQCGZYUBHG-UHFFFAOYSA-N	1	0	352.413	1.754	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnc(C3CC3)o2)C1	ZINC001026851091	799996463	/nfs/dbraw/zinc/99/64/63/799996463.db2.gz	JKSCUGYHILQISJ-BMFZPTHFSA-N	1	0	360.458	1.866	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ncnn2CCF)C1	ZINC001026849983	800017047	/nfs/dbraw/zinc/01/70/47/800017047.db2.gz	LBHJBEHEBCVEKK-OAGGEKHMSA-N	1	0	365.453	1.167	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@H]1c1ccccc1	ZINC001211659029	800025112	/nfs/dbraw/zinc/02/51/12/800025112.db2.gz	DLBKLXAXKRSTQK-NLWGTHIKSA-N	1	0	360.429	1.349	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@H]1c1ccccc1	ZINC001211658959	800039284	/nfs/dbraw/zinc/03/92/84/800039284.db2.gz	CCHJLPRVYFXMOJ-RBUKOAKNSA-N	1	0	352.438	1.406	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@H]1c1ccccc1	ZINC001211659459	800085529	/nfs/dbraw/zinc/08/55/29/800085529.db2.gz	LAZYBNYFZQZTJO-NLWGTHIKSA-N	1	0	362.445	1.902	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@H]1c1ccccc1	ZINC001211659761	800137529	/nfs/dbraw/zinc/13/75/29/800137529.db2.gz	PLEBGEUYFPTBON-RBUKOAKNSA-N	1	0	354.454	1.959	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[N@H+](Cc3ccc(C#N)cc3)CC2(C)C)O1	ZINC000974722050	800187722	/nfs/dbraw/zinc/18/77/22/800187722.db2.gz	CKOXPVTXXAQZAG-LZQZEXGQSA-N	1	0	370.497	1.604	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C(C)(C)C1	ZINC000974737377	800221358	/nfs/dbraw/zinc/22/13/58/800221358.db2.gz	RVGXAUKAKNRQDE-UPJWGTAASA-N	1	0	350.381	1.735	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[N@H+](Cc3cccc(C#N)c3)CC2(C)C)O1	ZINC000974755654	800245326	/nfs/dbraw/zinc/24/53/26/800245326.db2.gz	PJMHJKSONGQOEO-LZQZEXGQSA-N	1	0	370.497	1.604	20	30		FDEDRO
N#Cc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)c1	ZINC001026968842	800347721	/nfs/dbraw/zinc/34/77/21/800347721.db2.gz	FMTZCWZKDQCEHE-LWYYNNOASA-N	1	0	369.465	1.548	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCN(CCCOCC(F)(F)F)CC2)CCC[NH2+]1	ZINC000662534073	806833371	/nfs/dbraw/zinc/83/33/71/806833371.db2.gz	CROAELGRJZFENF-INIZCTEOSA-N	1	0	363.424	1.798	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCN(C(=O)COc3ccc(C)cc3)CC2)CCC[NH2+]1	ZINC000662554756	806845891	/nfs/dbraw/zinc/84/58/91/806845891.db2.gz	VUWGBHZOJOFWDV-OAQYLSRUSA-N	1	0	371.481	1.743	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]21	ZINC000974977718	800632021	/nfs/dbraw/zinc/63/20/21/800632021.db2.gz	XAHRBXRPQZDTTK-BMGDILEWSA-N	1	0	354.454	1.581	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]21	ZINC000974984300	800684306	/nfs/dbraw/zinc/68/43/06/800684306.db2.gz	CEKWSEDVPOKBOW-BFYDXBDKSA-N	1	0	360.502	1.858	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3ccn(C)c3C)[C@@H]2C1	ZINC000975048309	800772916	/nfs/dbraw/zinc/77/29/16/800772916.db2.gz	JCLZMSXCNGRVHM-NZSAHSFTSA-N	1	0	368.481	1.104	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(CC#Cc2ccccc2)CC1(C)C	ZINC000975034686	800791823	/nfs/dbraw/zinc/79/18/23/800791823.db2.gz	BMGSVDUNCDCAKL-IPMKNSEASA-N	1	0	367.493	1.589	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nc(CCCC)no2)C1	ZINC001027074792	800886652	/nfs/dbraw/zinc/88/66/52/800886652.db2.gz	GIMWLASTCXYDEX-XHSDSOJGSA-N	1	0	362.474	1.941	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cc(OC)ns2)C1	ZINC001027075687	800889687	/nfs/dbraw/zinc/88/96/87/800889687.db2.gz	YOBGNMZSOGAZLQ-CFVMTHIKSA-N	1	0	351.472	1.681	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1c1ccccc1	ZINC001211661501	800914473	/nfs/dbraw/zinc/91/44/73/800914473.db2.gz	AZUAEEGLUOYEHA-DLBZAZTESA-N	1	0	365.499	1.215	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H]3CN(C(=O)C[N@H+]4CC[C@@H](C)C4)[C@@H]3C2)c1	ZINC000975202798	800992157	/nfs/dbraw/zinc/99/21/57/800992157.db2.gz	INUMDAZSZJMKEZ-SZVBFZGTSA-N	1	0	366.465	1.078	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C1	ZINC000975206320	800996835	/nfs/dbraw/zinc/99/68/35/800996835.db2.gz	KFCRPWQUCLCTOX-ZHALLVOQSA-N	1	0	370.497	1.831	20	30		FDEDRO
COc1ccc(C#N)cc1CN1CCC[C@@H]1CNC(=O)[C@]12C[C@H]1COC2	ZINC001027895880	806884943	/nfs/dbraw/zinc/88/49/43/806884943.db2.gz	CAZFWEFCHMJKOS-QKLQHJQFSA-N	1	0	355.438	1.684	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC000975319662	801136274	/nfs/dbraw/zinc/13/62/74/801136274.db2.gz	MLJYTBGLGQNDJB-JTDSTZFVSA-N	1	0	368.481	1.372	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1	ZINC000975403432	801283186	/nfs/dbraw/zinc/28/31/86/801283186.db2.gz	PVXFPYTZKJKACZ-ZACQAIPSSA-N	1	0	361.486	1.028	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCS(C)(=O)=O)C2)CC1	ZINC001112524603	801517090	/nfs/dbraw/zinc/51/70/90/801517090.db2.gz	XWBSFHAUCOGAFX-LPHOPBHVSA-N	1	0	368.543	1.996	20	30		FDEDRO
C=CC[C@]1(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCOCC2)CCC[NH2+]1	ZINC000662662006	806932063	/nfs/dbraw/zinc/93/20/63/806932063.db2.gz	LRLKFRKCYODPEQ-PZJWPPBQSA-N	1	0	373.497	1.883	20	30		FDEDRO
C[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)CC1	ZINC000975638904	801810164	/nfs/dbraw/zinc/81/01/64/801810164.db2.gz	JSGLMGLUGBHZTH-YJBOKZPZSA-N	1	0	369.469	1.291	20	30		FDEDRO
C[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]32)CC1	ZINC000975671510	801906478	/nfs/dbraw/zinc/90/64/78/801906478.db2.gz	WIAOMADIHCDIJM-KSSFIOAISA-N	1	0	369.469	1.291	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@H]2C1	ZINC000975768446	802267590	/nfs/dbraw/zinc/26/75/90/802267590.db2.gz	PPXDVLJNBBUGSP-LNLFQRSKSA-N	1	0	370.497	1.831	20	30		FDEDRO
C=C(C)CNC(=O)C(=O)Nc1ccc(OCCCN2CC[NH+](C)CC2)cc1	ZINC000651681307	802375430	/nfs/dbraw/zinc/37/54/30/802375430.db2.gz	KPMIIODEDOLLFR-UHFFFAOYSA-N	1	0	374.485	1.334	20	30		FDEDRO
CN(C)c1cc[nH+]cc1C(=O)N1CC[C@H]2CCN(C(=O)C#CC3CC3)[C@H]2C1	ZINC000975820200	802515854	/nfs/dbraw/zinc/51/58/54/802515854.db2.gz	KDGHDQADEPHDCT-LPHOPBHVSA-N	1	0	366.465	1.624	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@H]3C2)cn1	ZINC000975836832	802554486	/nfs/dbraw/zinc/55/44/86/802554486.db2.gz	NVXSMPOAZPNDJT-IEZWGBDMSA-N	1	0	366.465	1.078	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@H]3C2)cc1	ZINC000975847064	802580350	/nfs/dbraw/zinc/58/03/50/802580350.db2.gz	ODJLZQYHWYFVRR-SXLOBPIMSA-N	1	0	365.477	1.683	20	30		FDEDRO
C=CC[C@]1(C(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)CCC[NH2+]1	ZINC000662799385	803303188	/nfs/dbraw/zinc/30/31/88/803303188.db2.gz	KCXWZDOWLUSDQT-LJQANCHMSA-N	1	0	361.417	1.935	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(Cl)[nH]1)C2	ZINC001112525183	803444157	/nfs/dbraw/zinc/44/41/57/803444157.db2.gz	DUZXFMFCZAOZBL-UGSOOPFHSA-N	1	0	364.877	1.802	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C23CCC[NH+]2CCC3)[nH]1	ZINC000976539886	803491687	/nfs/dbraw/zinc/49/16/87/803491687.db2.gz	TYHUMUUOPIOYEW-HZPDHXFCSA-N	1	0	369.469	1.672	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)Cc2ccoc2)CC1	ZINC000976572074	803540506	/nfs/dbraw/zinc/54/05/06/803540506.db2.gz	JJOOLPAKQPNHBJ-RTBURBONSA-N	1	0	371.481	1.711	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1	ZINC000423081249	814956488	/nfs/dbraw/zinc/95/64/88/814956488.db2.gz	CISTWMPIRDMKAY-SFHVURJKSA-N	1	0	368.481	1.753	20	30		FDEDRO
CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCCN(c2ccccc2C#N)CC1	ZINC000423138869	814980166	/nfs/dbraw/zinc/98/01/66/814980166.db2.gz	YLSVQMKRYOSMEQ-UHFFFAOYSA-N	1	0	371.485	1.040	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1	ZINC000423185634	814983100	/nfs/dbraw/zinc/98/31/00/814983100.db2.gz	JVTOOCRYERKCLR-QZTJIDSGSA-N	1	0	352.438	1.141	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1	ZINC000423168119	814986346	/nfs/dbraw/zinc/98/63/46/814986346.db2.gz	GTFCLFLREVGROD-INIZCTEOSA-N	1	0	359.470	1.797	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1	ZINC000423173274	814987549	/nfs/dbraw/zinc/98/75/49/814987549.db2.gz	XUGWTZFEKOUHBD-QXAKKESOSA-N	1	0	371.481	1.796	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N(C)CC[NH+]2CCCCC2)c1	ZINC000651926853	804087897	/nfs/dbraw/zinc/08/78/97/804087897.db2.gz	OIIVUTFENWYBKR-UHFFFAOYSA-N	1	0	365.499	1.709	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2C[C@H]2C2CC2)CC1	ZINC000976963071	804191281	/nfs/dbraw/zinc/19/12/81/804191281.db2.gz	PYCJPUKNVJXTPP-VDRZXAFZSA-N	1	0	369.509	1.341	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C[C@@H]2CC[N@@H+](C)C2)c1	ZINC000976987515	804241921	/nfs/dbraw/zinc/24/19/21/804241921.db2.gz	DIVRMIGMDOJQFG-QXAKKESOSA-N	1	0	368.481	1.562	20	30		FDEDRO
C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCS(=O)(=O)C1	ZINC000893474596	804306534	/nfs/dbraw/zinc/30/65/34/804306534.db2.gz	DRUSCDJEVSUMIB-QRTARXTBSA-N	1	0	361.467	1.466	20	30		FDEDRO
C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1	ZINC000893474595	804306685	/nfs/dbraw/zinc/30/66/85/804306685.db2.gz	DRUSCDJEVSUMIB-LXZKKBNFSA-N	1	0	361.467	1.466	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCCS(C)(=O)=O)C2)C1	ZINC001112526734	804814283	/nfs/dbraw/zinc/81/42/83/804814283.db2.gz	VDYPWULMTGPGAY-LPHOPBHVSA-N	1	0	368.543	1.996	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1	ZINC000423130370	804869954	/nfs/dbraw/zinc/86/99/54/804869954.db2.gz	RYOIILKEEXCYOO-HXUWFJFHSA-N	1	0	354.454	1.651	20	30		FDEDRO
C=CCC1([NH2+]CC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)CCCC1	ZINC000661848179	804992691	/nfs/dbraw/zinc/99/26/91/804992691.db2.gz	BVJNKYBRSTUUTF-OAHLLOKOSA-N	1	0	358.504	1.127	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@]45C[C@H]4COC5)[C@@H]3C2)cc1F	ZINC000978165899	805232048	/nfs/dbraw/zinc/23/20/48/805232048.db2.gz	JHBKWAVQNLAQKY-ZTTBQOKTSA-N	1	0	355.413	1.528	20	30		FDEDRO
C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001027611141	805371615	/nfs/dbraw/zinc/37/16/15/805371615.db2.gz	QOEWGXWSLSXLIY-JENIJYKNSA-N	1	0	354.454	1.157	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)CC[NH+]1CCCCC1	ZINC000978438808	805463189	/nfs/dbraw/zinc/46/31/89/805463189.db2.gz	UXQCFGSPTURRFU-KURKYZTESA-N	1	0	363.502	1.513	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1	ZINC001087429740	807006233	/nfs/dbraw/zinc/00/62/33/807006233.db2.gz	AKAWQFZRBKXBBD-IXDOHACOSA-N	1	0	370.453	1.135	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1	ZINC000980576685	807077192	/nfs/dbraw/zinc/07/71/92/807077192.db2.gz	ZHTADSRHBNDOJD-VQHPVUNQSA-N	1	0	363.502	1.320	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1	ZINC000980581127	807083902	/nfs/dbraw/zinc/08/39/02/807083902.db2.gz	MFXXJIKCVVHBFL-DZVNLGKHSA-N	1	0	363.502	1.463	20	30		FDEDRO
C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)C1	ZINC000423527462	815114413	/nfs/dbraw/zinc/11/44/13/815114413.db2.gz	MNDBHNLNSTVEOR-UHOSZYNNSA-N	1	0	368.481	1.743	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)c1	ZINC000981052066	807495132	/nfs/dbraw/zinc/49/51/32/807495132.db2.gz	QIMFIFMVJYMRDC-CGTJXYLNSA-N	1	0	354.454	1.172	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)N3CCC[C@@H](CC[NH3+])C3)CC2)cc1	ZINC000423555715	815132682	/nfs/dbraw/zinc/13/26/82/815132682.db2.gz	KJKAYDGLZLOAKI-KRWDZBQOSA-N	1	0	366.465	1.761	20	30		FDEDRO
CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1	ZINC000423555804	815132705	/nfs/dbraw/zinc/13/27/05/815132705.db2.gz	KPAYCIASHBJCHR-UHFFFAOYSA-N	1	0	354.454	1.617	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](CCCN2CCCC2=O)CC1	ZINC000981185964	807676679	/nfs/dbraw/zinc/67/66/79/807676679.db2.gz	LIOGRMYGJGZHRN-MSOLQXFVSA-N	1	0	363.502	1.514	20	30		FDEDRO
C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	ZINC001028043597	807683967	/nfs/dbraw/zinc/68/39/67/807683967.db2.gz	SGUCZWCJAWSEPE-OTWHNJEPSA-N	1	0	365.518	1.413	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3coc(C)c3)C2)CC1	ZINC000981228414	807774025	/nfs/dbraw/zinc/77/40/25/807774025.db2.gz	NEZYVMYPALSYRG-QFBILLFUSA-N	1	0	371.481	1.948	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCCN(Cc2cc(C#N)ccc2F)CC1	ZINC000981365130	807957917	/nfs/dbraw/zinc/95/79/17/807957917.db2.gz	IIPWPJWJNJDLBH-KSSFIOAISA-N	1	0	361.417	1.536	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1	ZINC000981380565	807964376	/nfs/dbraw/zinc/96/43/76/807964376.db2.gz	JSIATBQJSABIPQ-XYJFISCASA-N	1	0	354.454	1.029	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1	ZINC000981378858	807980185	/nfs/dbraw/zinc/98/01/85/807980185.db2.gz	BACLCTLNYOXIFI-QXAKKESOSA-N	1	0	353.466	1.634	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@@H]3CC3(F)F)C2)CC1	ZINC000981544022	808114181	/nfs/dbraw/zinc/11/41/81/808114181.db2.gz	AQHLNMJFOIPFPL-IMJJTQAJSA-N	1	0	367.440	1.388	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3nnnn3CC1)C2	ZINC001112533272	808162395	/nfs/dbraw/zinc/16/23/95/808162395.db2.gz	ZBZMJRQLNRJDMO-GJYPPUQNSA-N	1	0	358.490	1.420	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](Cc1cnn(C)c1)C2	ZINC000981776442	808475091	/nfs/dbraw/zinc/47/50/91/808475091.db2.gz	ODYLYWXMCLBDAM-MSOLQXFVSA-N	1	0	358.486	1.826	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1	ZINC000423720583	815213502	/nfs/dbraw/zinc/21/35/02/815213502.db2.gz	DHRDJJXITQILIT-MOPGFXCFSA-N	1	0	368.481	1.897	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)cc1	ZINC000981869821	808677222	/nfs/dbraw/zinc/67/72/22/808677222.db2.gz	KKARQIIKQSKMIO-UHOSZYNNSA-N	1	0	353.466	1.777	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1cccc(C#N)c1	ZINC000279317479	808918920	/nfs/dbraw/zinc/91/89/20/808918920.db2.gz	OHJRVLBYHWSAFA-AWEZNQCLSA-N	1	0	356.426	1.208	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@]2(C)CCNC2=O)C1	ZINC001087437195	808930079	/nfs/dbraw/zinc/93/00/79/808930079.db2.gz	FNNQWBIWUYADDL-DBXWQHBBSA-N	1	0	353.466	1.510	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1	ZINC000785386569	809176307	/nfs/dbraw/zinc/17/63/07/809176307.db2.gz	REHOCVSQJZVANO-OAHLLOKOSA-N	1	0	361.417	1.765	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1	ZINC000419000563	809378847	/nfs/dbraw/zinc/37/88/47/809378847.db2.gz	VPJSQRYVSODDMB-DLBZAZTESA-N	1	0	363.433	1.178	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCS2(=O)=O)C[C@H]1c1ccccc1	ZINC001211726353	809406672	/nfs/dbraw/zinc/40/66/72/809406672.db2.gz	WVVRQJGCNSAKJT-RCCFBDPRSA-N	1	0	362.495	1.724	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2cncn2C)C1	ZINC001087441292	809452495	/nfs/dbraw/zinc/45/24/95/809452495.db2.gz	ABZVNSHSJNAFFR-WOJBJXKFSA-N	1	0	350.466	1.960	20	30		FDEDRO
[NH3+]C[C@@H]1CN(C(=O)C(=O)NCC#Cc2ccccc2)C[C@H]1c1ccccc1	ZINC000419122658	809578043	/nfs/dbraw/zinc/57/80/43/809578043.db2.gz	XALNILXRPVKHHE-UXHICEINSA-N	1	0	361.445	1.355	20	30		FDEDRO
[NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000419111306	809582706	/nfs/dbraw/zinc/58/27/06/809582706.db2.gz	IQSNXZQVUXRYQR-ZFWWWQNUSA-N	1	0	367.371	1.417	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1	ZINC000410691053	809636535	/nfs/dbraw/zinc/63/65/35/809636535.db2.gz	USZJEGMUBDYRBY-UHFFFAOYSA-N	1	0	364.534	1.428	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1	ZINC000424081984	815305855	/nfs/dbraw/zinc/30/58/55/815305855.db2.gz	AXOZUTVKKKEEMP-MRXNPFEDSA-N	1	0	364.409	1.504	20	30		FDEDRO
C=CCn1cc(CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)nn1	ZINC000424107300	815312150	/nfs/dbraw/zinc/31/21/50/815312150.db2.gz	NVXROPRKVPPCCR-UHFFFAOYSA-N	1	0	354.458	1.928	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2COCCN2C(C)=O)C1	ZINC001087443302	809796206	/nfs/dbraw/zinc/79/62/06/809796206.db2.gz	FCHWBQSQLKRGMP-VAMGGRTRSA-N	1	0	371.481	1.394	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1c1ccccc1	ZINC001211732559	809812494	/nfs/dbraw/zinc/81/24/94/809812494.db2.gz	OAYSICSEEWLOPN-ZWKOTPCHSA-N	1	0	368.481	1.888	20	30		FDEDRO
COc1cc(CN2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)cc(OC)c1	ZINC000424158559	815320233	/nfs/dbraw/zinc/32/02/33/815320233.db2.gz	TVSUSTCSMAWDOO-GOSISDBHSA-N	1	0	360.458	1.369	20	30		FDEDRO
COc1cc(OC)cc(N2CC[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C2)c1	ZINC000424159255	815320711	/nfs/dbraw/zinc/32/07/11/815320711.db2.gz	VGONRXZVHSLICR-KSSFIOAISA-N	1	0	360.458	1.667	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1	ZINC001211736202	809925678	/nfs/dbraw/zinc/92/56/78/809925678.db2.gz	MBMSVHGKBRZSHG-IPMKNSEASA-N	1	0	371.481	1.394	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)NC(=O)C2CCC2)C[C@H]1c1ccccc1	ZINC001211738530	809932660	/nfs/dbraw/zinc/93/26/60/809932660.db2.gz	GZOFREVWFALPTI-ZYSHUDEJSA-N	1	0	353.466	1.509	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2onc(C)c2C)C[C@H]1C(F)(F)F	ZINC001112119312	809957348	/nfs/dbraw/zinc/95/73/48/809957348.db2.gz	PJUBYJYEYOPQEV-CHWSQXEVSA-N	1	0	359.348	1.534	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1	ZINC001087453906	810040803	/nfs/dbraw/zinc/04/08/03/810040803.db2.gz	RCVRLXMNYFVASH-MJXNMMHHSA-N	1	0	370.428	1.994	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1	ZINC000645121170	810097570	/nfs/dbraw/zinc/09/75/70/810097570.db2.gz	UOCXHNODKKYOPM-PKOBYXMFSA-N	1	0	359.470	1.906	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)CCn1cccn1	ZINC000669335146	810313638	/nfs/dbraw/zinc/31/36/38/810313638.db2.gz	PYUNTKUKGCKYOL-SJORKVTESA-N	1	0	371.489	1.723	20	30		FDEDRO
C[C@H](CN1CCCC1=O)[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000433298842	810402461	/nfs/dbraw/zinc/40/24/61/810402461.db2.gz	ACLFPDCXTLQSMY-OAHLLOKOSA-N	1	0	352.442	1.959	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](CNC(=O)[C@]23C[C@H]2COC3)C1	ZINC001028555263	810649955	/nfs/dbraw/zinc/64/99/55/810649955.db2.gz	VHPPZSZLISSBCW-KNBMTAEXSA-N	1	0	355.438	1.541	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC(C(=O)NCCC[NH+](CC)CC)CC2)cn1	ZINC000728982650	810900226	/nfs/dbraw/zinc/90/02/26/810900226.db2.gz	LVAPNTRPLKUPFW-UHFFFAOYSA-N	1	0	370.497	1.763	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCOC[C@H]2CCCO2)C[C@H]1C(F)(F)F	ZINC001112126505	811135453	/nfs/dbraw/zinc/13/54/53/811135453.db2.gz	UQTFPHQHKUUSSC-RBSFLKMASA-N	1	0	362.392	1.574	20	30		FDEDRO
C=CCC1(C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CCOCC1	ZINC000424724303	815427629	/nfs/dbraw/zinc/42/76/29/815427629.db2.gz	DXHNUNOSCHWLBB-LJQANCHMSA-N	1	0	358.482	1.895	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)nn1	ZINC000424759865	815431995	/nfs/dbraw/zinc/43/19/95/815431995.db2.gz	WOUDLSIEHOHPSF-ZWKOTPCHSA-N	1	0	369.469	1.467	20	30		FDEDRO
C[NH+]1CCN(c2cc(C(=O)NCC#Cc3cccc(F)c3)ccn2)CC1	ZINC000513221611	811299918	/nfs/dbraw/zinc/29/99/18/811299918.db2.gz	HNBFHZSBLQRUFL-UHFFFAOYSA-N	1	0	352.413	1.754	20	30		FDEDRO
CC[NH+]=C(NCc1cn2c(n1)CCCC2)N1CCO[C@@H](c2cnn(C)c2)C1	ZINC000261820987	811326783	/nfs/dbraw/zinc/32/67/83/811326783.db2.gz	UMWXKUCIJNZNHC-QGZVFWFLSA-N	1	0	371.489	1.492	20	30		FDEDRO
C=CCCn1cc(C(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1	ZINC000424792147	815440432	/nfs/dbraw/zinc/44/04/32/815440432.db2.gz	MDFGQLUXGVWCLA-HXUWFJFHSA-N	1	0	369.469	1.563	20	30		FDEDRO
Cc1nnc(CNC(N[C@@H]2CCN(c3ccccc3)C2)=[NH+]C2CC2)n1C	ZINC000261935716	811347849	/nfs/dbraw/zinc/34/78/49/811347849.db2.gz	CIMUOAVIDKJXOL-MRXNPFEDSA-N	1	0	353.474	1.600	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cn1	ZINC000982827717	811396432	/nfs/dbraw/zinc/39/64/32/811396432.db2.gz	NGTVCYPCGHCOOL-ZYSHUDEJSA-N	1	0	368.481	1.372	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@@H]1CCOc2ccccc21)=[NH+]C[C@H]1CCCCO1	ZINC000262252567	811424311	/nfs/dbraw/zinc/42/43/11/811424311.db2.gz	CEAICZBXSNCTQR-NVXWUHKLSA-N	1	0	374.485	1.703	20	30		FDEDRO
Cn1ncc(I)c1C[NH2+]C1CCN(CC#N)CC1	ZINC000894233135	811637664	/nfs/dbraw/zinc/63/76/64/811637664.db2.gz	CSMLIZQSLYBOAZ-UHFFFAOYSA-N	1	0	359.215	1.102	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](C[C@H](O)C4CCCCC4)C[C@H]32)[nH]1	ZINC001075700588	815467926	/nfs/dbraw/zinc/46/79/26/815467926.db2.gz	WMFMYHOVEHLPHD-IPELMVKDSA-N	1	0	356.470	1.974	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1	ZINC000419468699	811963961	/nfs/dbraw/zinc/96/39/61/811963961.db2.gz	VNTRZYVNINLHGS-UHFFFAOYSA-N	1	0	370.453	1.045	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1	ZINC000366411548	811996180	/nfs/dbraw/zinc/99/61/80/811996180.db2.gz	YZBKKNOUEKWSKG-GOSISDBHSA-N	1	0	371.485	1.395	20	30		FDEDRO
C[C@@H](C[NH3+])CNC(=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1	ZINC000419629249	812051539	/nfs/dbraw/zinc/05/15/39/812051539.db2.gz	BSKGBEUUNWJNCT-AWEZNQCLSA-N	1	0	350.422	1.552	20	30		FDEDRO
C[NH2+]C[C@H](C)CNC(=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1	ZINC000419656868	812062394	/nfs/dbraw/zinc/06/23/94/812062394.db2.gz	ZXEJMWVLZCLUGK-HNNXBMFYSA-N	1	0	364.449	1.813	20	30		FDEDRO
O=C(NCC#Cc1cccc(F)c1)C(=O)N1CCC2(CC[NH2+]CC2)CC1	ZINC000419683245	812090654	/nfs/dbraw/zinc/09/06/54/812090654.db2.gz	WYVXXXQTRDDDCC-UHFFFAOYSA-N	1	0	357.429	1.286	20	30		FDEDRO
C[NH+]=C(NCc1cccc(N(C)C)n1)NC1CCN(C(=O)C2CC2)CC1	ZINC000261811481	812176115	/nfs/dbraw/zinc/17/61/15/812176115.db2.gz	STYFYPXLFRXMOO-UHFFFAOYSA-N	1	0	358.490	1.214	20	30		FDEDRO
C=CCN(C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1)C1CC1	ZINC000419869447	812266131	/nfs/dbraw/zinc/26/61/31/812266131.db2.gz	BNEKIJGFKOAPRJ-QZTJIDSGSA-N	1	0	357.454	1.434	20	30		FDEDRO
C=CC1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)CC1	ZINC000419872169	812267050	/nfs/dbraw/zinc/26/70/50/812267050.db2.gz	CTILZUXWMMVRHH-RTBURBONSA-N	1	0	371.481	1.682	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N(Cc1ccc(C#N)cc1)C1CC1)[C@@H]1CCC[NH2+]C1	ZINC000419899430	812280552	/nfs/dbraw/zinc/28/05/52/812280552.db2.gz	RUZMGGTXKWZGEE-WMLDXEAASA-N	1	0	354.454	1.554	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1	ZINC000467315304	815540761	/nfs/dbraw/zinc/54/07/61/815540761.db2.gz	PPOBKLSKFBSCKD-UHFFFAOYSA-N	1	0	374.485	1.286	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1	ZINC000420098630	813454980	/nfs/dbraw/zinc/45/49/80/813454980.db2.gz	LVBNACQMULCPMV-RHSMWYFYSA-N	1	0	363.408	1.727	20	30		FDEDRO
C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N(C)Cc2cccc(C#N)c2)cc1	ZINC000420134074	813473409	/nfs/dbraw/zinc/47/34/09/813473409.db2.gz	TYCIUJCOIHMHSU-CQSZACIVSA-N	1	0	350.422	1.853	20	30		FDEDRO
C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1	ZINC000420117454	813475549	/nfs/dbraw/zinc/47/55/49/813475549.db2.gz	LUVLDFWQZREGCW-KSSFIOAISA-N	1	0	352.438	1.288	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1	ZINC000420141319	813501969	/nfs/dbraw/zinc/50/19/69/813501969.db2.gz	ZFADJSIWWXCRPR-HIFRSBDPSA-N	1	0	360.414	1.366	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1	ZINC000420195960	813548713	/nfs/dbraw/zinc/54/87/13/813548713.db2.gz	ABOFRDBNCPFYAX-GBESFXJTSA-N	1	0	355.482	1.748	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCNC(=O)C4)[C@@H]3C2)c1	ZINC001075683532	813652298	/nfs/dbraw/zinc/65/22/98/813652298.db2.gz	BKFWRGRRJPWUAS-OKZBNKHCSA-N	1	0	352.438	1.117	20	30		FDEDRO
C[NH+]=C(NCCc1cn2c(n1)CCCC2)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000261831572	813873758	/nfs/dbraw/zinc/87/37/58/813873758.db2.gz	JCRHXHQUWNEREA-UHFFFAOYSA-N	1	0	374.533	1.669	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)NCC[NH+]3CCCCC3)C2=O)cc1	ZINC000502852374	814292213	/nfs/dbraw/zinc/29/22/13/814292213.db2.gz	DZCMNOFZRYEHAP-GOSISDBHSA-N	1	0	369.469	1.839	20	30		FDEDRO
CC[NH+]1CCC(N2CCCN(C(=O)c3ccc(C#N)c(O)c3)CC2)CC1	ZINC000422028522	814367246	/nfs/dbraw/zinc/36/72/46/814367246.db2.gz	XZEOPTFFDZHIFD-UHFFFAOYSA-N	1	0	356.470	1.896	20	30		FDEDRO
C=CC[C@]1(C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2C)CCCN1C(=O)OC(C)(C)C	ZINC000924981723	815650703	/nfs/dbraw/zinc/65/07/03/815650703.db2.gz	LQFKDBQRZFLUOC-YZVOILCLSA-N	1	0	367.490	1.513	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC001028806443	815747814	/nfs/dbraw/zinc/74/78/14/815747814.db2.gz	KAVPJXLAGTYXNW-FGTMMUONSA-N	1	0	354.454	1.221	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2OCC[C@H]2C)C1	ZINC001028807257	815760526	/nfs/dbraw/zinc/76/05/26/815760526.db2.gz	FULXIUVDPIOKRS-ALKREAHSSA-N	1	0	357.454	1.930	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC(CC)CC	ZINC001167956814	815821566	/nfs/dbraw/zinc/82/15/66/815821566.db2.gz	KBFJWWAONMSBJS-WMZOPIPTSA-N	1	0	353.507	1.758	20	30		FDEDRO
CC(C)[C@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)[NH+]1CCN(C)CC1	ZINC000435036048	815883005	/nfs/dbraw/zinc/88/30/05/815883005.db2.gz	RXYPFWNMUDGBRA-IBGZPJMESA-N	1	0	354.498	1.978	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(OC)cc(OC)c2C)CC1	ZINC000505623628	815941281	/nfs/dbraw/zinc/94/12/81/815941281.db2.gz	SPACPHXPCWMKJT-UHFFFAOYSA-N	1	0	361.442	1.717	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N1CCC(CC[NH3+])CC1	ZINC000514946659	816037072	/nfs/dbraw/zinc/03/70/72/816037072.db2.gz	OZWAENMGDQTQOX-MOPGFXCFSA-N	1	0	368.481	1.872	20	30		FDEDRO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21	ZINC000425389047	816076234	/nfs/dbraw/zinc/07/62/34/816076234.db2.gz	UABVEIYKIGZNBX-JCGIZDLHSA-N	1	0	354.454	1.630	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1C#N	ZINC000435835579	816199444	/nfs/dbraw/zinc/19/94/44/816199444.db2.gz	NMBAXNBQAFDIAB-XJKSGUPXSA-N	1	0	358.442	1.883	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC(=O)NC2CCCC2)C1	ZINC001028863848	816320732	/nfs/dbraw/zinc/32/07/32/816320732.db2.gz	DXMLBWRATNIKON-AYBZRNKSSA-N	1	0	363.502	1.465	20	30		FDEDRO
CC(C)[C@@H](C)CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000505819871	816519570	/nfs/dbraw/zinc/51/95/70/816519570.db2.gz	PKMRYSQGKKOFDR-INIZCTEOSA-N	1	0	358.486	1.857	20	30		FDEDRO
C=CCn1nnnc1SCC(=O)N1CCN([C@H](C)c2ccccc2)CC1	ZINC000505853755	816617490	/nfs/dbraw/zinc/61/74/90/816617490.db2.gz	TUQGZKWHSYMKBQ-OAHLLOKOSA-N	1	0	372.498	1.857	20	30		FDEDRO
C=CCn1cc(CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)nn1	ZINC000425867196	817246661	/nfs/dbraw/zinc/24/66/61/817246661.db2.gz	CEPKJCVATBDJLO-UHFFFAOYSA-N	1	0	358.446	1.863	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1	ZINC000425868018	817250276	/nfs/dbraw/zinc/25/02/76/817250276.db2.gz	HUHWJNRIAPQNKD-BZSNNMDCSA-N	1	0	365.518	1.566	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1cccc(C[NH+](CC)CC)c1	ZINC000425879303	817283156	/nfs/dbraw/zinc/28/31/56/817283156.db2.gz	ZNOOUPSZJCHJTH-OALUTQOASA-N	1	0	373.497	1.852	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1	ZINC000425893146	817331106	/nfs/dbraw/zinc/33/11/06/817331106.db2.gz	WVOIKABDVFLNMH-WMZOPIPTSA-N	1	0	372.469	1.122	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000425896890	817333809	/nfs/dbraw/zinc/33/38/09/817333809.db2.gz	ZGTARTJJHANWBX-LBTNJELSSA-N	1	0	354.454	1.677	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000425896889	817333848	/nfs/dbraw/zinc/33/38/48/817333848.db2.gz	ZGTARTJJHANWBX-HBUWYVDXSA-N	1	0	354.454	1.677	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C	ZINC000437792067	817339032	/nfs/dbraw/zinc/33/90/32/817339032.db2.gz	JKFKJLQZMFPWSE-ZACQAIPSSA-N	1	0	366.506	1.210	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)C1=CC[N@H+](C)CC1	ZINC000425908164	817347479	/nfs/dbraw/zinc/34/74/79/817347479.db2.gz	GAERVPQDCXONSQ-CABCVRRESA-N	1	0	354.454	1.844	20	30		FDEDRO
C[C@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(C#N)cc1	ZINC000517565906	817493622	/nfs/dbraw/zinc/49/36/22/817493622.db2.gz	GZJZXHLNRJUASY-HNNXBMFYSA-N	1	0	371.485	1.861	20	30		FDEDRO
C[NH+]=C(NCc1cccc(N(C)C)n1)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000261981129	817905377	/nfs/dbraw/zinc/90/53/77/817905377.db2.gz	RJHCBOPKFZZHCQ-UHFFFAOYSA-N	1	0	360.506	1.554	20	30		FDEDRO
Cc1nnc(CNC(N[C@H]2CCC(=O)N(C)C2)=[NH+]C2CCCCC2)n1C	ZINC000261994229	817981892	/nfs/dbraw/zinc/98/18/92/817981892.db2.gz	RZMJJPUFFHKYKG-HNNXBMFYSA-N	1	0	361.494	1.112	20	30		FDEDRO
CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1	ZINC000439549771	817994194	/nfs/dbraw/zinc/99/41/94/817994194.db2.gz	KEHOGAFWFWWFSK-ZDUSSCGKSA-N	1	0	359.430	1.324	20	30		FDEDRO
CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCn2cnc(C#N)n2)C[C@H]1C(F)(F)F	ZINC000894419435	818035019	/nfs/dbraw/zinc/03/50/19/818035019.db2.gz	DNRMYEUHVHHCCT-IJLUTSLNSA-N	1	0	359.352	1.650	20	30		FDEDRO
CC[NH+]=C(NCc1cccc(C(N)=O)c1)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000262029358	818088322	/nfs/dbraw/zinc/08/83/22/818088322.db2.gz	WZQATHPMYKVMHF-UHFFFAOYSA-N	1	0	373.501	1.582	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000894553685	818189960	/nfs/dbraw/zinc/18/99/60/818189960.db2.gz	SWDCUYDFBPWTJY-UHFFFAOYSA-N	1	0	356.470	1.848	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)C1	ZINC000473703717	818204088	/nfs/dbraw/zinc/20/40/88/818204088.db2.gz	ZNTBZWWFXWAZMR-KRWDZBQOSA-N	1	0	358.442	1.456	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)Cn2ncnn2)C1	ZINC001087474676	818275359	/nfs/dbraw/zinc/27/53/59/818275359.db2.gz	RXNCOVGKPVTMFU-ROUUACIJSA-N	1	0	370.457	1.232	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1	ZINC001087475419	818319822	/nfs/dbraw/zinc/31/98/22/818319822.db2.gz	HAOCCCBDZXBEDC-JRSUCEMESA-N	1	0	368.477	1.885	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001087476033	818351866	/nfs/dbraw/zinc/35/18/66/818351866.db2.gz	PFVGZHGXZRABBV-RDGPPVDQSA-N	1	0	371.481	1.667	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)Cn2cncn2)C1	ZINC001087476450	818377684	/nfs/dbraw/zinc/37/76/84/818377684.db2.gz	NHQVBFFZVUYBDI-OALUTQOASA-N	1	0	369.469	1.837	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCN(C(C)C)C2=O)C1	ZINC000983692859	818567406	/nfs/dbraw/zinc/56/74/06/818567406.db2.gz	MFKATDFQPDRTSQ-ZKXLYKBJSA-N	1	0	363.502	1.461	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@H]2CCNC(=O)CC2)C1	ZINC000983698079	818599241	/nfs/dbraw/zinc/59/92/41/818599241.db2.gz	KFHRLDUOYHULLJ-ZKXLYKBJSA-N	1	0	363.502	1.368	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]Cc2cnnn2C)CC1	ZINC001029102219	818609592	/nfs/dbraw/zinc/60/95/92/818609592.db2.gz	WFBPOWHRIFJIAD-OLMNPRSZSA-N	1	0	361.490	1.513	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NCC(C)(C)C	ZINC001167985374	818743172	/nfs/dbraw/zinc/74/31/72/818743172.db2.gz	GIWDBDKZZUMZPD-RDJZCZTQSA-N	1	0	353.507	1.616	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@H](C)[NH2+]Cc2ncnn2C)CC1	ZINC001029156767	818953699	/nfs/dbraw/zinc/95/36/99/818953699.db2.gz	NVBOCUJRKNJLME-ZVZYQTTQSA-N	1	0	361.490	1.513	20	30		FDEDRO
C=CCN1CC[C@H](N2CC[C@H](NC(=O)c3cnc(C)cn3)[C@H]2CC)C1=O	ZINC001087491971	819141664	/nfs/dbraw/zinc/14/16/64/819141664.db2.gz	ZNSBMHXDDOXRNU-UAGQMJEPSA-N	1	0	357.458	1.155	20	30		FDEDRO
N#Cc1cnn2c1NC[C@H](C[NH2+]CC(=O)N[C@@H]1CCOc3ccccc31)C2	ZINC000520230246	819262700	/nfs/dbraw/zinc/26/27/00/819262700.db2.gz	HYFBTLRCOIWCOZ-XJKSGUPXSA-N	1	0	366.425	1.026	20	30		FDEDRO
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1	ZINC000520400742	819336685	/nfs/dbraw/zinc/33/66/85/819336685.db2.gz	QUROWKPZHPCOLN-KRWDZBQOSA-N	1	0	371.485	1.407	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)c3cn4c(n3)CCCC4)cn2)CC1	ZINC000328721827	819531439	/nfs/dbraw/zinc/53/14/39/819531439.db2.gz	RNCVNYUELICBNY-UHFFFAOYSA-N	1	0	354.458	1.871	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1(C)C	ZINC000328714696	819540121	/nfs/dbraw/zinc/54/01/21/819540121.db2.gz	OFKQBQIKLSPHJI-GASCZTMLSA-N	1	0	364.490	1.144	20	30		FDEDRO
C[N@@H+]1CC[C@H]2OCCN(CC(=O)Nc3cccc(N4CCCC4=O)c3)[C@@H]2C1	ZINC000328917969	819592556	/nfs/dbraw/zinc/59/25/56/819592556.db2.gz	ACXVLLVPPMVURQ-QZTJIDSGSA-N	1	0	372.469	1.806	20	30		FDEDRO
Cc1cc(N2CCC(NC(=O)[C@H](C)C[NH+]3CCOCC3)CC2)nc(C)n1	ZINC000328996852	819607561	/nfs/dbraw/zinc/60/75/61/819607561.db2.gz	GROADSBWDDCKOO-CQSZACIVSA-N	1	0	361.490	1.987	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)CN1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000330437218	819613976	/nfs/dbraw/zinc/61/39/76/819613976.db2.gz	ROTGULRDVPTUIZ-HLIPFELVSA-N	1	0	364.534	1.862	20	30		FDEDRO
CC(C)C(=O)NC[C@H]1CCCN(C(=O)NCC(C)(C)N2CCOCC2)C1	ZINC000330451135	819615399	/nfs/dbraw/zinc/61/53/99/819615399.db2.gz	UHZSJYXKSOEVNF-MRXNPFEDSA-N	1	0	368.522	1.495	20	30		FDEDRO
CN(C)C(=O)c1cc(NC(=O)N2CCC([N@H+](C)CCO)CC2)ccc1F	ZINC000330919536	819658558	/nfs/dbraw/zinc/65/85/58/819658558.db2.gz	YRHNICXPPXSGKA-UHFFFAOYSA-N	1	0	366.437	1.462	20	30		FDEDRO
C=CC(C)(C)CNC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C	ZINC000458989003	819810170	/nfs/dbraw/zinc/81/01/70/819810170.db2.gz	OTLHZIFVXXIMCC-KRWDZBQOSA-N	1	0	360.502	1.787	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)C2)c(F)c1	ZINC000520547233	820062138	/nfs/dbraw/zinc/06/21/38/820062138.db2.gz	XBADIJLTCHFGPL-ULQDDVLXSA-N	1	0	371.460	1.917	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2ccn(C)c2C)C[C@H]1C(F)(F)F	ZINC001112161674	820619270	/nfs/dbraw/zinc/61/92/70/820619270.db2.gz	YAMQHYHTDHSYAZ-HUUCEWRRSA-N	1	0	357.376	1.576	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)ncc1C#N	ZINC000520834960	820962444	/nfs/dbraw/zinc/96/24/44/820962444.db2.gz	SWHSQNDLKRZZPN-CQSZACIVSA-N	1	0	357.458	1.829	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087537603	821015942	/nfs/dbraw/zinc/01/59/42/821015942.db2.gz	MMEPQBXHTLVZPI-UHOFOFEASA-N	1	0	360.483	1.615	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)C2(C3CC3)CCOCC2)[C@H](OC)C1	ZINC001213209837	821099141	/nfs/dbraw/zinc/09/91/41/821099141.db2.gz	YUIGAYYJNDTMOC-IAGOWNOFSA-N	1	0	352.475	1.211	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1ccc(C(N)=O)cc1	ZINC001087548694	821307873	/nfs/dbraw/zinc/30/78/73/821307873.db2.gz	JUNRGSKXPLUQAE-ZWKOTPCHSA-N	1	0	365.437	1.768	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)Cn2cnc3c4ccccc4oc3c2=O)CC1	ZINC000521607487	821312559	/nfs/dbraw/zinc/31/25/59/821312559.db2.gz	SCEFKWGYHDPUNW-UHFFFAOYSA-N	1	0	365.393	1.247	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cn(C)nn2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001087560622	821482485	/nfs/dbraw/zinc/48/24/85/821482485.db2.gz	ILCSJBQBLVNPNR-FUHWJXTLSA-N	1	0	368.441	1.500	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(=O)n(C)cn2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087608678	821724201	/nfs/dbraw/zinc/72/42/01/821724201.db2.gz	WYQGAATYAVACRO-PKOBYXMFSA-N	1	0	364.449	1.415	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCN(C)C2=O)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087612849	821742402	/nfs/dbraw/zinc/74/24/02/821742402.db2.gz	JLXFCVULQICZKO-SLFFLAALSA-N	1	0	367.493	1.876	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCN(C)C(=O)C2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087628001	821807466	/nfs/dbraw/zinc/80/74/66/821807466.db2.gz	WUVMTVUWWQDLRR-SLFFLAALSA-N	1	0	367.493	1.876	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2Cc3cc(C(=O)OCC)nn3C[C@@H]2C)CC1	ZINC000895229426	821953677	/nfs/dbraw/zinc/95/36/77/821953677.db2.gz	VLBNFLMBTZKKLQ-AWEZNQCLSA-N	1	0	358.442	1.136	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001087691192	822051554	/nfs/dbraw/zinc/05/15/54/822051554.db2.gz	FMXSKCBBGIZVKA-PXTPFGJHSA-N	1	0	369.465	1.950	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1ccc(C(F)(F)F)c(C#N)n1	ZINC000443518061	822178190	/nfs/dbraw/zinc/17/81/90/822178190.db2.gz	KBTWSWOJBVMUFA-AWEZNQCLSA-N	1	0	369.391	2.327	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)[C@@H]1CC	ZINC001087729611	822261314	/nfs/dbraw/zinc/26/13/14/822261314.db2.gz	MGTNBNACDQFIRS-XDNAFOTISA-N	1	0	359.470	1.446	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CCc3ccnn3C)[C@@H]2CC)nn1	ZINC001087754185	822368644	/nfs/dbraw/zinc/36/86/44/822368644.db2.gz	SALVSXQMTUDFKM-DOTOQJQBSA-N	1	0	357.462	1.023	20	30		FDEDRO
CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)[C@H]1CC	ZINC001087757159	822380335	/nfs/dbraw/zinc/38/03/35/822380335.db2.gz	FNZWFADNXIUGEC-PNYFIKQUSA-N	1	0	368.481	1.593	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)[C@@H]1CC	ZINC001087758146	822381780	/nfs/dbraw/zinc/38/17/80/822381780.db2.gz	DFWHHKPEJRYEQY-GNBUJSLZSA-N	1	0	373.497	1.836	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)C3(C)CCOCC3)[C@H]2CC)C1=O	ZINC001087763052	822390877	/nfs/dbraw/zinc/39/08/77/822390877.db2.gz	AIZUWGJOPPRTIP-GVDBMIGSSA-N	1	0	363.502	1.559	20	30		FDEDRO
CC(C)n1ncc2c1C[C@H](NC(=O)N1CCC([N@H+](C)CCO)CC1)CC2	ZINC000330050193	822525728	/nfs/dbraw/zinc/52/57/28/822525728.db2.gz	LJXYTVQNKLTBOO-MRXNPFEDSA-N	1	0	363.506	1.624	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087830680	822526608	/nfs/dbraw/zinc/52/66/08/822526608.db2.gz	SYUWBLQAMJLGSC-FUHWJXTLSA-N	1	0	365.437	1.768	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC[C@H](O)[C@H](F)C3)CC2)c1	ZINC000895594504	822667258	/nfs/dbraw/zinc/66/72/58/822667258.db2.gz	RAFMJNDODRLQGG-MSOLQXFVSA-N	1	0	360.433	1.637	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(C)n4C)C[C@@H]3C2)C1=O	ZINC001087884085	822711655	/nfs/dbraw/zinc/71/16/55/822711655.db2.gz	ZIGMVGVXUNPJEW-AOIWGVFYSA-N	1	0	370.497	1.514	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)CCn4cncn4)C[C@@H]3C2)c1	ZINC001087887343	822725037	/nfs/dbraw/zinc/72/50/37/822725037.db2.gz	AXLLIGHAZNGVDL-MOPGFXCFSA-N	1	0	364.453	1.520	20	30		FDEDRO
N#Cc1ccc(N[C@@H]2CCCN(c3ccnc(N4CCOCC4)n3)C2)nc1	ZINC000895849619	822770559	/nfs/dbraw/zinc/77/05/59/822770559.db2.gz	WKPCPSMZYGJQFT-MRXNPFEDSA-N	1	0	365.441	1.661	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)c3ccccc3)CC[C@@H]2C1	ZINC001087911295	823771757	/nfs/dbraw/zinc/77/17/57/823771757.db2.gz	QAVIYBYQMIZNJL-BBWFWOEESA-N	1	0	354.454	1.589	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](CCc3ccc4c(c3)OCCO4)CC[C@@H]2C1	ZINC001087911464	823771793	/nfs/dbraw/zinc/77/17/93/823771793.db2.gz	WFGBUIABKFSFNB-NXHRZFHOSA-N	1	0	369.465	1.940	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cnn(CC)c4)C[C@@H]3C2)C1=O	ZINC001087912678	823784635	/nfs/dbraw/zinc/78/46/35/823784635.db2.gz	BSJIQXJADIXPAF-NJAFHUGGSA-N	1	0	371.485	1.084	20	30		FDEDRO
Cc1c(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)s4)CC[C@@H]3C2)nnn1C	ZINC001087918128	823837495	/nfs/dbraw/zinc/83/74/95/823837495.db2.gz	FQTQNLDVUFUCDR-KGLIPLIRSA-N	1	0	370.482	1.651	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001059401433	823891283	/nfs/dbraw/zinc/89/12/83/823891283.db2.gz	SRUJXPOXOCFAMC-FGTMMUONSA-N	1	0	365.518	1.664	20	30		FDEDRO
Cn1cnc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)s4)CC[C@@H]3C2)c1	ZINC001087934710	823979171	/nfs/dbraw/zinc/97/91/71/823979171.db2.gz	VISCVZJNUQVXSZ-KGLIPLIRSA-N	1	0	355.467	1.947	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)C3C[NH+](C4CCOCC4)C3)CC2)nc1	ZINC000896125599	824064205	/nfs/dbraw/zinc/06/42/05/824064205.db2.gz	HRDFYJSMWLDFHW-UHFFFAOYSA-N	1	0	369.469	1.149	20	30		FDEDRO
O=C([C@H]1COC(=O)N1)N1C[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)CC[C@@H]2C1	ZINC001087953562	824130755	/nfs/dbraw/zinc/13/07/55/824130755.db2.gz	AHXMOOKTTNMHMB-SOLBZPMBSA-N	1	0	371.412	1.066	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4CC(C)(C)C4)C[C@@H]3C2)C1=O	ZINC001087955082	824138467	/nfs/dbraw/zinc/13/84/67/824138467.db2.gz	WYLBKWAOCUFVNV-BPQIPLTHSA-N	1	0	359.514	1.990	20	30		FDEDRO
Cn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cc(C#N)ccc4F)CC[C@@H]3C2)nn1	ZINC001087956335	824145635	/nfs/dbraw/zinc/14/56/35/824145635.db2.gz	KGBHVEMZCGQTCZ-ZBFHGGJFSA-N	1	0	368.416	1.420	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCCCC2CCOCC2)C[C@H]1NC(=O)CSCC#N	ZINC001211886510	824161233	/nfs/dbraw/zinc/16/12/33/824161233.db2.gz	LTNRTWAEYIAXNJ-IAGOWNOFSA-N	1	0	369.531	1.655	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H]2C[N@@H+](CC[C@@H]3CCS(=O)(=O)C3)CC[C@@H]2C1	ZINC001087961701	824182318	/nfs/dbraw/zinc/18/23/18/824182318.db2.gz	GKICKRYHDXIRSB-KURKYZTESA-N	1	0	364.511	1.005	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3nn(C)c4ccccc34)C[C@@H]2C1	ZINC001087968020	824256084	/nfs/dbraw/zinc/25/60/84/824256084.db2.gz	WNKLLYMOZZFYEK-SJORKVTESA-N	1	0	350.466	1.919	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3nc(C)cc3C(F)F)C[C@@H]2C1	ZINC001087979056	824341200	/nfs/dbraw/zinc/34/12/00/824341200.db2.gz	HGCRFZNVSAVXST-CABCVRRESA-N	1	0	350.413	1.933	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)NCC#C[C@@H]3CCCCO3)cc2)CC1	ZINC000896444849	824417937	/nfs/dbraw/zinc/41/79/37/824417937.db2.gz	ORTRBIWSFOLBLM-FQEVSTJZSA-N	1	0	370.497	1.810	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1	ZINC000984671089	824447253	/nfs/dbraw/zinc/44/72/53/824447253.db2.gz	SRUZYJUHAIQGQN-KURKYZTESA-N	1	0	363.502	1.369	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CC[C@@H]2CC[C@H](C3OCCO3)O2)CC1	ZINC000896520380	824475572	/nfs/dbraw/zinc/47/55/72/824475572.db2.gz	IYZWTYBVVUKYPU-DLBZAZTESA-N	1	0	350.459	1.291	20	30		FDEDRO
C[C@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@H]1C[N@H+](C)CCN1C	ZINC000896538357	824518710	/nfs/dbraw/zinc/51/87/10/824518710.db2.gz	CZPITWZNSVRRHW-GXFFZTMASA-N	1	0	355.364	1.336	20	30		FDEDRO
CN1CCOC[C@H]1C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1	ZINC000329039352	824540424	/nfs/dbraw/zinc/54/04/24/824540424.db2.gz	SIAOFJYVWOTARB-SFHVURJKSA-N	1	0	365.449	1.956	20	30		FDEDRO
CC(C)n1cc([C@@H]2CN(C(=O)N[C@H]3CC[N@H+](C)[C@H](C)C3)C[C@H]2CO)cn1	ZINC000329074539	824559627	/nfs/dbraw/zinc/55/96/27/824559627.db2.gz	PFYZKHBMGPBFOM-UBDQQSCGSA-N	1	0	363.506	1.868	20	30		FDEDRO
COC[C@H]1CN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC(C)(C)O1	ZINC000329117391	824602015	/nfs/dbraw/zinc/60/20/15/824602015.db2.gz	IZYFPDJOAWQLFF-MRXNPFEDSA-N	1	0	369.506	1.671	20	30		FDEDRO
Cc1nc(Cn2nnc(NC(=O)N3C[C@H]4CCC[N@H+]4C[C@@H]3C)c2C)no1	ZINC000329142954	824625241	/nfs/dbraw/zinc/62/52/41/824625241.db2.gz	VIUBVQZEUCERAM-GXFFZTMASA-N	1	0	360.422	1.040	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cccc(-n4cccn4)c3)CC2)C1=O	ZINC000329162850	824638661	/nfs/dbraw/zinc/63/86/61/824638661.db2.gz	GEUPLSDWWADAGC-GOSISDBHSA-N	1	0	367.453	1.872	20	30		FDEDRO
Cc1noc([C@H]2CN(C(=O)NCC3CC[NH+](C4CC4)CC3)CCN2C)n1	ZINC000329168054	824639358	/nfs/dbraw/zinc/63/93/58/824639358.db2.gz	IOIONJUUCOEAIB-MRXNPFEDSA-N	1	0	362.478	1.455	20	30		FDEDRO
Cc1noc([C@@H]2CN(C(=O)NCC3CC[NH+](C4CC4)CC3)CCN2C)n1	ZINC000329168053	824639367	/nfs/dbraw/zinc/63/93/67/824639367.db2.gz	IOIONJUUCOEAIB-INIZCTEOSA-N	1	0	362.478	1.455	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cc(OC(F)F)n(C)n3)CC2)C1=O	ZINC000329204935	824666321	/nfs/dbraw/zinc/66/63/21/824666321.db2.gz	XTQCLINCDRJTDV-GFCCVEGCSA-N	1	0	371.388	1.021	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]3COc4ccccc4C3)CC2)C1=O	ZINC000329205668	824666370	/nfs/dbraw/zinc/66/63/70/824666370.db2.gz	XXFDVGUENURXGH-WBVHZDCISA-N	1	0	357.454	1.889	20	30		FDEDRO
Cc1nc(CC2CC2)oc1C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1	ZINC000329211219	824671605	/nfs/dbraw/zinc/67/16/05/824671605.db2.gz	ZYVPSGVUQGXSDO-OAHLLOKOSA-N	1	0	360.458	1.935	20	30		FDEDRO
O=C(NCCN1CCNC(=O)C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1	ZINC000329255306	824697259	/nfs/dbraw/zinc/69/72/59/824697259.db2.gz	ACVVGAZXTIXEAR-KRWDZBQOSA-N	1	0	365.522	1.761	20	30		FDEDRO
O=C(NCc1ccnc(OC2CCOCC2)c1)N[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000329284552	824714838	/nfs/dbraw/zinc/71/48/38/824714838.db2.gz	GCMLIEFSBNKUHZ-OAHLLOKOSA-N	1	0	360.458	1.880	20	30		FDEDRO
O=C(N[C@H]1CCCN(C(=O)N2CCCC2)C1)N1CC[N@@H+]2CCCC[C@@H]2C1	ZINC000329359682	824754081	/nfs/dbraw/zinc/75/40/81/824754081.db2.gz	XQNIRBCSJYDHIY-DLBZAZTESA-N	1	0	363.506	1.751	20	30		FDEDRO
O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)N1CCC2(CC1)CC(=O)C=CO2	ZINC000896749708	824855368	/nfs/dbraw/zinc/85/53/68/824855368.db2.gz	WKMWCILENUDZOH-INIZCTEOSA-N	1	0	363.458	1.287	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)C[N@@H+]1CCC[C@H]1C	ZINC000984784040	824903139	/nfs/dbraw/zinc/90/31/39/824903139.db2.gz	YKWDPLICWYRFCK-UKPHBRMFSA-N	1	0	357.458	1.480	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCCC3)CC[C@@H]2C1	ZINC001087992683	824955295	/nfs/dbraw/zinc/95/52/95/824955295.db2.gz	GREHAJQMOPGGGQ-MSOLQXFVSA-N	1	0	370.497	1.690	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](Cn3cccn3)N(C)C)C[C@@H]2C1	ZINC001087994178	825003054	/nfs/dbraw/zinc/00/30/54/825003054.db2.gz	VHGIXMNQFWDWNZ-CEXWTWQISA-N	1	0	359.518	1.560	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(=O)c(OC)co2)C1	ZINC000984825781	825032314	/nfs/dbraw/zinc/03/23/14/825032314.db2.gz	FXTSLMYYBHGFCP-SMKXDYDZSA-N	1	0	362.426	1.224	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccns3)CC[C@@H]2C1	ZINC001087998119	825074631	/nfs/dbraw/zinc/07/46/31/825074631.db2.gz	RUQIQSBSXWGEQH-RYRKJORJSA-N	1	0	358.511	1.521	20	30		FDEDRO
CN(C)C(=O)CNC(NC1CCN(c2ccccn2)CC1)=[NH+]C1CCCC1	ZINC000262317997	825137428	/nfs/dbraw/zinc/13/74/28/825137428.db2.gz	RCPQPMIEJNROIF-UHFFFAOYSA-N	1	0	372.517	1.616	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc(C(F)(F)F)nc3)C[C@@H]2C1	ZINC001088005977	825163000	/nfs/dbraw/zinc/16/30/00/825163000.db2.gz	HVGUGPYQLCNZDI-OCCSQVGLSA-N	1	0	352.360	1.913	20	30		FDEDRO
O=C(C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)N1CCN(C(=O)Nc2ccccc2)CC1	ZINC000329678944	825286494	/nfs/dbraw/zinc/28/64/94/825286494.db2.gz	XGGDCPDPJWWDOJ-JQHSSLGASA-N	1	0	372.469	1.079	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)CN2CCN(c3cc(C#N)ccn3)CC2)CC1	ZINC000329693352	825320332	/nfs/dbraw/zinc/32/03/32/825320332.db2.gz	CJKOUVOSHXYUMF-UHFFFAOYSA-N	1	0	370.501	1.905	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cn[nH]n4)C[C@@H]3C2)cc1	ZINC001088023221	825350030	/nfs/dbraw/zinc/35/00/30/825350030.db2.gz	ULJQQXCJAHRNOW-CVEARBPZSA-N	1	0	366.425	1.301	20	30		FDEDRO
C=CC[N@@H+](C[C@@](C)(O)C(=O)OCC)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000475029841	825361772	/nfs/dbraw/zinc/36/17/72/825361772.db2.gz	FUGAQWNIQJXJQA-KBXCAEBGSA-N	1	0	359.430	1.525	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCO[C@H]1c1ccnn1C	ZINC000329732895	825407178	/nfs/dbraw/zinc/40/71/78/825407178.db2.gz	JERGYIRLDZXNNJ-UIBIWLFHSA-N	1	0	361.490	1.970	20	30		FDEDRO
O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1	ZINC000329754612	825428780	/nfs/dbraw/zinc/42/87/80/825428780.db2.gz	KXMWLAYQCNJVJJ-KSZLIROESA-N	1	0	365.518	1.886	20	30		FDEDRO
Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1	ZINC000329757942	825430144	/nfs/dbraw/zinc/43/01/44/825430144.db2.gz	ZSFJOAFLOPPPPV-UIBIWLFHSA-N	1	0	361.490	1.828	20	30		FDEDRO
COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CC[C@@H]([NH+]3CCCCC3)C1)CC2	ZINC000329793322	825459594	/nfs/dbraw/zinc/45/95/94/825459594.db2.gz	AYRPVRLJFZJQOE-HUUCEWRRSA-N	1	0	362.478	1.214	20	30		FDEDRO
COc1ccc(C(=O)N2CCN(C(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)cc1	ZINC000329815165	825477525	/nfs/dbraw/zinc/47/75/25/825477525.db2.gz	VBPNUAPZWKZKKH-DOTOQJQBSA-N	1	0	374.485	1.850	20	30		FDEDRO
C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@@]2(CCOC2)O1	ZINC000329975231	825573097	/nfs/dbraw/zinc/57/30/97/825573097.db2.gz	XZLXPSAZPAPQQS-JTDSTZFVSA-N	1	0	367.490	1.281	20	30		FDEDRO
CCN1CCN(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)C[C@@H]1c1ncc[nH]1	ZINC000329977393	825574032	/nfs/dbraw/zinc/57/40/32/825574032.db2.gz	ZPRTVRVZQAPKJM-DLBZAZTESA-N	1	0	362.522	1.980	20	30		FDEDRO
Cn1cnc2c(c1=O)CCN(C(=O)N[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2	ZINC000330072411	825620733	/nfs/dbraw/zinc/62/07/33/825620733.db2.gz	ZAQQOIRLZVXCOI-MRXNPFEDSA-N	1	0	367.453	1.327	20	30		FDEDRO
CCn1nccc1N1CCC[C@H](NC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C1=O	ZINC000330114544	825648702	/nfs/dbraw/zinc/64/87/02/825648702.db2.gz	SWKFBEOCJINYCN-KFWWJZLASA-N	1	0	362.478	1.385	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3cn(C)nc3[C@H]3CCOC3)C[C@@H]2C1	ZINC001088054647	825657896	/nfs/dbraw/zinc/65/78/96/825657896.db2.gz	OXIPUEHBPMSHIQ-IKGGRYGDSA-N	1	0	358.486	1.894	20	30		FDEDRO
O=C(NCc1cn2c(n1)CCCC2)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000330125621	825659415	/nfs/dbraw/zinc/65/94/15/825659415.db2.gz	BQOBATLRMOWTTO-SJORKVTESA-N	1	0	361.490	1.601	20	30		FDEDRO
CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C)nn3)C2)C1	ZINC000330149349	825679124	/nfs/dbraw/zinc/67/91/24/825679124.db2.gz	KCFPRTZQNFQYPP-DLBZAZTESA-N	1	0	360.506	1.941	20	30		FDEDRO
CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000330168505	825697783	/nfs/dbraw/zinc/69/77/83/825697783.db2.gz	AXNLMKZAKOFZOO-AEFFLSMTSA-N	1	0	374.485	1.592	20	30		FDEDRO
CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cn1	ZINC000330186822	825711641	/nfs/dbraw/zinc/71/16/41/825711641.db2.gz	SKSSKZLLORMAAQ-UXLLHSPISA-N	1	0	360.462	1.757	20	30		FDEDRO
O=C(CN1CCN(c2cc(C3CC3)[nH]n2)CC1)NC1CC[NH+](C2CC2)CC1	ZINC000330208128	825733914	/nfs/dbraw/zinc/73/39/14/825733914.db2.gz	AUXXDTHBQZTCBW-UHFFFAOYSA-N	1	0	372.517	1.992	20	30		FDEDRO
C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1	ZINC000330213416	825737311	/nfs/dbraw/zinc/73/73/11/825737311.db2.gz	KWQJILGBUGOVBC-BFYDXBDKSA-N	1	0	366.506	1.221	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CCN4CCNC4=O)CC[C@@H]3C2)cc1	ZINC001088062135	825753125	/nfs/dbraw/zinc/75/31/25/825753125.db2.gz	QMVSRCDFLUBUOW-MOPGFXCFSA-N	1	0	366.465	1.087	20	30		FDEDRO
Cc1n[nH]nc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)CC[C@@H]2C1	ZINC001088062747	825758144	/nfs/dbraw/zinc/75/81/44/825758144.db2.gz	VZWVIETUPRHXSR-ZBFHGGJFSA-N	1	0	368.416	1.718	20	30		FDEDRO
O=C(N[C@@H]1CCOC2(CCOCC2)C1)N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000330260104	825772554	/nfs/dbraw/zinc/77/25/54/825772554.db2.gz	NXVLGHJNILKFFM-DLBZAZTESA-N	1	0	367.490	1.283	20	30		FDEDRO
Cn1ccnc1N1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1	ZINC000330298680	825826271	/nfs/dbraw/zinc/82/62/71/825826271.db2.gz	LUZAVZBPTQDCGK-KRWDZBQOSA-N	1	0	361.490	1.989	20	30		FDEDRO
C=CCN1CC[C@H](Oc2ccc(C(=O)NCC[NH+](CC)CC)cc2)C1=O	ZINC000281119282	825882626	/nfs/dbraw/zinc/88/26/26/825882626.db2.gz	ZVSZHZNBSYLSQR-SFHVURJKSA-N	1	0	359.470	1.924	20	30		FDEDRO
C[NH+](C)CCN1C[C@@H](C(=O)Nc2cc(C#N)ccc2NC2CC2)CC1=O	ZINC000281246982	825921912	/nfs/dbraw/zinc/92/19/12/825921912.db2.gz	UHDPNBCATXYHOK-AWEZNQCLSA-N	1	0	355.442	1.481	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)c3cc4n(n3)CCCO4)cn2)CC1	ZINC000330362322	825982496	/nfs/dbraw/zinc/98/24/96/825982496.db2.gz	ZKIALKRGIFEDGC-UHFFFAOYSA-N	1	0	370.457	1.707	20	30		FDEDRO
CN1C(=O)CC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)CC[C@@H]2C1	ZINC001088078166	826089318	/nfs/dbraw/zinc/08/93/18/826089318.db2.gz	PTQBDLVJJHWZDW-CEXWTWQISA-N	1	0	366.465	1.459	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CCOC3)C[C@@H]2C1	ZINC001088080753	826142941	/nfs/dbraw/zinc/14/29/41/826142941.db2.gz	LWHHEXINCYOPBW-HBFSDRIKSA-N	1	0	357.429	1.967	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CCN1C(=O)C#CC1CC1	ZINC000985056581	826258395	/nfs/dbraw/zinc/25/83/95/826258395.db2.gz	SJTOSEOBRWYVKD-ZWKOTPCHSA-N	1	0	357.498	1.772	20	30		FDEDRO
C[C@@H]1CC[N@H+](CCNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1	ZINC000897428105	833027935	/nfs/dbraw/zinc/02/79/35/833027935.db2.gz	DDVBIVWSYYIYNW-CQSZACIVSA-N	1	0	372.473	1.597	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)CC[C@@H]2C1	ZINC001088092903	826340138	/nfs/dbraw/zinc/34/01/38/826340138.db2.gz	BJIAXVZJCHVHDI-UWVAXJGDSA-N	1	0	363.502	1.228	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCCC4)O3)C[C@@H]2C1	ZINC001088105136	826413751	/nfs/dbraw/zinc/41/37/51/826413751.db2.gz	UZWKEIISQSHHOT-XDNAFOTISA-N	1	0	361.486	1.123	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3c(F)cccc3NC(N)=O)C[C@@H]2C1	ZINC001088123405	826499654	/nfs/dbraw/zinc/49/96/54/826499654.db2.gz	PWHFVJGTKLRQRH-KGLIPLIRSA-N	1	0	358.417	1.734	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cccn(CC(C)C)c3=O)C[C@@H]2C1	ZINC001088130830	826562700	/nfs/dbraw/zinc/56/27/00/826562700.db2.gz	JOHCKEYEHCUXOZ-MSOLQXFVSA-N	1	0	355.482	1.922	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C)ccc1F)C2	ZINC001112536782	826613370	/nfs/dbraw/zinc/61/33/70/826613370.db2.gz	YZYYBEATEAADKE-KKSFZXQISA-N	1	0	371.456	1.715	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4c(C)n[nH]c4C)C[C@@H]3C2)C1=O	ZINC001088143172	826689834	/nfs/dbraw/zinc/68/98/34/826689834.db2.gz	XHOWLBZWGFOBCN-IKGGRYGDSA-N	1	0	371.485	1.207	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cc4ccco4)C[C@@H]3C2)C1=O	ZINC001088146747	826735719	/nfs/dbraw/zinc/73/57/19/826735719.db2.gz	RGQIHIBDSRZXNQ-RYRKJORJSA-N	1	0	357.454	1.389	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2CC)nc1	ZINC000985211933	826919737	/nfs/dbraw/zinc/91/97/37/826919737.db2.gz	MUOIBVBCLVADEG-HHXXYDBFSA-N	1	0	368.481	1.657	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCCS(=O)(=O)C3)C[C@@H]2C1	ZINC001088163267	826931443	/nfs/dbraw/zinc/93/14/43/826931443.db2.gz	GMHLEKKLIQAHPA-ZACQAIPSSA-N	1	0	352.500	1.005	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Cn4cccn4)on3)C[C@@H]2C1	ZINC001088164947	826942745	/nfs/dbraw/zinc/94/27/45/826942745.db2.gz	GVHQVXIBWTZUOQ-CVEARBPZSA-N	1	0	355.442	1.889	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H]2C[N@H+](C[C@H](C)OC)CC[C@@H]2C1	ZINC001088175017	827223866	/nfs/dbraw/zinc/22/38/66/827223866.db2.gz	ZKNPQZXOPBVKDR-BBWFWOEESA-N	1	0	357.454	1.522	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4cnc(C)cn4)CC[C@@H]3C2)cn1	ZINC001088175513	827225891	/nfs/dbraw/zinc/22/58/91/827225891.db2.gz	ZZMBOHPXZIFIOW-MSOLQXFVSA-N	1	0	361.449	1.755	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(C(=O)N(C)C)c3)C[C@@H]2C1	ZINC001088173873	827253356	/nfs/dbraw/zinc/25/33/56/827253356.db2.gz	XLOAYSYRDWLVIN-MOPGFXCFSA-N	1	0	353.466	1.806	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](CC(=O)N(C)C4CC4)CC[C@@H]3C2)nc1	ZINC001088174113	827255065	/nfs/dbraw/zinc/25/50/65/827255065.db2.gz	IBXDCUQJKBTURH-SJORKVTESA-N	1	0	366.465	1.078	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]2C[N@@H+](CCn3cccn3)CC[C@@H]2C1	ZINC001088183680	827307691	/nfs/dbraw/zinc/30/76/91/827307691.db2.gz	QYVWJTFGVRLQBJ-RTWAWAEBSA-N	1	0	362.477	1.887	20	30		FDEDRO
N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4cncn4)C[C@@H]3C2)c1	ZINC001088193053	827394841	/nfs/dbraw/zinc/39/48/41/827394841.db2.gz	HOJSMFCWEGAJPV-WBVHZDCISA-N	1	0	368.416	1.269	20	30		FDEDRO
C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)NCc1nc(C#N)cs1	ZINC000897268300	827565325	/nfs/dbraw/zinc/56/53/25/827565325.db2.gz	XJJGAMOVPUKTMZ-CQSZACIVSA-N	1	0	363.487	1.800	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1	ZINC001088237770	827636539	/nfs/dbraw/zinc/63/65/39/827636539.db2.gz	CEEGHWMJKKBRKV-KURKYZTESA-N	1	0	363.502	1.404	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2cnn(C)c2)C[C@H]1C(F)(F)F	ZINC001112184802	827862482	/nfs/dbraw/zinc/86/24/82/827862482.db2.gz	GFMIUDLDUBBXMJ-NWANDNLSSA-N	1	0	356.392	1.601	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)[C@H]2CC)c1	ZINC000985492513	828023094	/nfs/dbraw/zinc/02/30/94/828023094.db2.gz	WUHXKHBYHICEOP-AYOQOUSVSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1	ZINC001088348351	828902981	/nfs/dbraw/zinc/90/29/81/828902981.db2.gz	RBJBGKBIQUECMV-BBWFWOEESA-N	1	0	351.491	1.736	20	30		FDEDRO
CN(C(=O)c1cnn(C)c1C#N)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1	ZINC000527252659	829004498	/nfs/dbraw/zinc/00/44/98/829004498.db2.gz	XDNSGXFUYFSERL-ROUUACIJSA-N	1	0	372.517	1.701	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCCC[C@H]1C	ZINC001168094722	829099217	/nfs/dbraw/zinc/09/92/17/829099217.db2.gz	BDFFNVFLTDZMEI-RYRKJORJSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)Nc1nccs1	ZINC001168100647	829194557	/nfs/dbraw/zinc/19/45/57/829194557.db2.gz	FOKJXJOYXONSTO-IHRRRGAJSA-N	1	0	366.487	1.547	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1	ZINC000528350761	829363594	/nfs/dbraw/zinc/36/35/94/829363594.db2.gz	ADSOMOCQVAZTLV-ZWKOTPCHSA-N	1	0	357.454	1.536	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCc2ccnn2C)C1	ZINC001088385564	829381945	/nfs/dbraw/zinc/38/19/45/829381945.db2.gz	NDIFBKKMRNZNMH-UHOSZYNNSA-N	1	0	360.502	1.915	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(N2CCCCC2=O)CC1	ZINC000528408569	829391449	/nfs/dbraw/zinc/39/14/49/829391449.db2.gz	XMAKITRBRNTCMA-SFHVURJKSA-N	1	0	357.454	1.775	20	30		FDEDRO
CCC[C@@H]1CN(C[C@H](O)COc2ccccc2C#N)CC[N@@H+]1CCOC	ZINC000528427902	829399551	/nfs/dbraw/zinc/39/95/51/829399551.db2.gz	AMHXOPOIELTZRE-MOPGFXCFSA-N	1	0	361.486	1.731	20	30		FDEDRO
O=C(C1CC1)N1CCCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000528464863	829420802	/nfs/dbraw/zinc/42/08/02/829420802.db2.gz	GQPASTMCVZYDRQ-UHFFFAOYSA-N	1	0	365.433	1.230	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](N2CCCC2=O)CC1	ZINC000528517516	829434608	/nfs/dbraw/zinc/43/46/08/829434608.db2.gz	AAHKZRVNAFURAV-ZWKOTPCHSA-N	1	0	357.454	1.775	20	30		FDEDRO
CC(C)(C[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2C#N)C1)C(N)=O	ZINC000528519577	829435618	/nfs/dbraw/zinc/43/56/18/829435618.db2.gz	UNLWTJRQKWBUIP-WBVHZDCISA-N	1	0	359.470	1.912	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NC1CCCC1	ZINC001168109706	829524754	/nfs/dbraw/zinc/52/47/54/829524754.db2.gz	FHTQEGLTKDGONQ-XIRDDKMYSA-N	1	0	351.491	1.511	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]Cc1nnnn1-c1ccccc1	ZINC001168110100	829545238	/nfs/dbraw/zinc/54/52/38/829545238.db2.gz	NJKYIVIEOBKJFV-WMZOPIPTSA-N	1	0	370.457	1.239	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@@H]3C2)cn1	ZINC000985821831	829755395	/nfs/dbraw/zinc/75/53/95/829755395.db2.gz	ALIHCHRGNKABFS-AOIWGVFYSA-N	1	0	366.465	1.078	20	30		FDEDRO
N#Cc1cnc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1	ZINC000450345013	829926936	/nfs/dbraw/zinc/92/69/36/829926936.db2.gz	DKUKDLQYGLOGNH-SFHVURJKSA-N	1	0	353.382	1.910	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC000729811815	837406638	/nfs/dbraw/zinc/40/66/38/837406638.db2.gz	CSNCPTARDRYULS-MRXNPFEDSA-N	1	0	374.397	1.035	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]3C2)C1	ZINC000985895244	829996801	/nfs/dbraw/zinc/99/68/01/829996801.db2.gz	RFSFTKYRODQRFX-OIISXLGYSA-N	1	0	369.469	1.149	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)/C(C)=C\C)C[C@@H]3C2)CC1	ZINC000985916137	830096733	/nfs/dbraw/zinc/09/67/33/830096733.db2.gz	JSCUMWVBZMJZRP-SKTMDKTCSA-N	1	0	357.498	1.605	20	30		FDEDRO
C#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1	ZINC001105425282	830147391	/nfs/dbraw/zinc/14/73/91/830147391.db2.gz	FUKUURJSXHUBRQ-FLTJSSMESA-N	1	0	353.466	1.341	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccc(S(=O)(=O)NCC=C)cc1	ZINC000729808685	837427536	/nfs/dbraw/zinc/42/75/36/837427536.db2.gz	FAZBSYNUCUJPBI-MRXNPFEDSA-N	1	0	362.451	1.405	20	30		FDEDRO
C[N@H+](CC(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C1)C1CCC1	ZINC000985979011	830235281	/nfs/dbraw/zinc/23/52/81/830235281.db2.gz	HNUPUHZOIKESHY-ZBFHGGJFSA-N	1	0	369.469	1.291	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2nnc3n2CCCCC3)CC1	ZINC000303793123	830306247	/nfs/dbraw/zinc/30/62/47/830306247.db2.gz	ZDDWYGSIHKMXLI-UHFFFAOYSA-N	1	0	363.466	1.030	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)N(C)C)C1	ZINC000451994041	830495145	/nfs/dbraw/zinc/49/51/45/830495145.db2.gz	NOYCAVYALOXXFS-MSOLQXFVSA-N	1	0	361.486	1.890	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CCCC(=O)NC[C@@H]1CCC[N@H+]1CCCO	ZINC000452376228	830638644	/nfs/dbraw/zinc/63/86/44/830638644.db2.gz	YWCBTEBABLKRLF-KRWDZBQOSA-N	1	0	372.469	1.630	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cnn(-c3ccccn3)c2)CC1	ZINC000531260089	830658583	/nfs/dbraw/zinc/65/85/83/830658583.db2.gz	PSTHMHDNDSIYFU-UHFFFAOYSA-N	1	0	368.441	1.363	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CC1	ZINC000305370364	830666056	/nfs/dbraw/zinc/66/60/56/830666056.db2.gz	XEBKMNJVYYWJQW-OAGGEKHMSA-N	1	0	364.490	1.859	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1	ZINC000453679120	831013908	/nfs/dbraw/zinc/01/39/08/831013908.db2.gz	RZWPMNIZDCXMBH-MRXNPFEDSA-N	1	0	354.454	1.996	20	30		FDEDRO
CC(C)(C(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]2C1)[NH+]1CCCCC1	ZINC000986149828	831209299	/nfs/dbraw/zinc/20/92/99/831209299.db2.gz	BWYNROODSJLTIQ-MOPGFXCFSA-N	1	0	371.525	1.971	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](CCNC(=O)C[N@@H+](C)CCC)C1	ZINC001059724861	831837443	/nfs/dbraw/zinc/83/74/43/831837443.db2.gz	BNTPUBVLRBPNRC-LNLFQRSKSA-N	1	0	365.518	1.664	20	30		FDEDRO
[NH2+]=C(NCCc1ccc2c(c1)CCO2)N1CCN(c2ncccn2)CC1	ZINC000262426410	837583615	/nfs/dbraw/zinc/58/36/15/837583615.db2.gz	VRQZGOKZHQMPKS-UHFFFAOYSA-N	1	0	352.442	1.091	20	30		FDEDRO
Cc1c(C(=O)N[C@H]2CCN(Cc3ccc(F)c(C#N)c3)[C@@H]2C)nnn1C	ZINC001088503395	831982666	/nfs/dbraw/zinc/98/26/66/831982666.db2.gz	FZJOAOLWNBIZJC-BZNIZROVSA-N	1	0	356.405	1.527	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@@H]2C1	ZINC000986595847	832008619	/nfs/dbraw/zinc/00/86/19/832008619.db2.gz	BHPIEUBVODXYKJ-IPELMVKDSA-N	1	0	368.481	1.828	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CCNC(=O)CSCC#N)C2)CC[N@@H+]1C	ZINC001059732499	832064008	/nfs/dbraw/zinc/06/40/08/832064008.db2.gz	RWKCWRDIITVUNG-HRCADAONSA-N	1	0	366.531	1.328	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cn(C)cn2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088521963	832398226	/nfs/dbraw/zinc/39/82/26/832398226.db2.gz	OGZZQEZCQVZNRF-PBHICJAKSA-N	1	0	353.426	1.715	20	30		FDEDRO
C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2CCC(C#N)CC2)cc1	ZINC000749683332	832401006	/nfs/dbraw/zinc/40/10/06/832401006.db2.gz	FNRXJIHPVYKQPC-UHFFFAOYSA-N	1	0	358.442	1.718	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOC(C)C)C1	ZINC001112217301	832409586	/nfs/dbraw/zinc/40/95/86/832409586.db2.gz	JHLBXHVPIWFFCP-BFHYXJOUSA-N	1	0	352.397	1.981	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2CCCCCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000987011213	832420109	/nfs/dbraw/zinc/42/01/09/832420109.db2.gz	UANVSHMYKMMANB-QGPMSJSTSA-N	1	0	371.485	1.728	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1CC(=O)N1CCC[C@H](C)C1	ZINC001088533185	832482701	/nfs/dbraw/zinc/48/27/01/832482701.db2.gz	DQMBVQXDHZHQAU-VBQJREDUSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2C[N@@H+](CCn3nc(C)nc3C)C[C@H]21	ZINC001075885353	832523108	/nfs/dbraw/zinc/52/31/08/832523108.db2.gz	RZQZKANKDMSQSW-PKOBYXMFSA-N	1	0	368.485	1.729	20	30		FDEDRO
C#CC[C@@H]1CCN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1	ZINC000888119536	832656520	/nfs/dbraw/zinc/65/65/20/832656520.db2.gz	IOZKKRVGYREYAO-MRXNPFEDSA-N	1	0	356.470	1.533	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3ccncc3)[C@H]2C)CC1	ZINC000987226334	832665267	/nfs/dbraw/zinc/66/52/67/832665267.db2.gz	UIEQYTFZZZXWEF-QAPCUYQASA-N	1	0	354.454	1.146	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3cc(C)no3)[C@H]2C)CC1	ZINC000987324566	832791191	/nfs/dbraw/zinc/79/11/91/832791191.db2.gz	OPRMEVMRFMJIMR-ZBFHGGJFSA-N	1	0	358.442	1.047	20	30		FDEDRO
C[C@@H](C(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1C)[NH+]1CCCCCC1	ZINC000987647623	833514366	/nfs/dbraw/zinc/51/43/66/833514366.db2.gz	RYGMHGGYQZGLEK-VKJFTORMSA-N	1	0	371.485	1.870	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)C1	ZINC000987652578	833518670	/nfs/dbraw/zinc/51/86/70/833518670.db2.gz	QJQOZGXQDBFDKQ-VKJFTORMSA-N	1	0	371.485	1.728	20	30		FDEDRO
C[C@@H]1CC[N@H+](CCNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1	ZINC000897435456	833789968	/nfs/dbraw/zinc/78/99/68/833789968.db2.gz	MJHHOJJFNYGXHM-IEBWSBKVSA-N	1	0	355.486	1.748	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1C	ZINC000987975300	833852880	/nfs/dbraw/zinc/85/28/80/833852880.db2.gz	LUTCGQBHSZHJQN-KMFMINBZSA-N	1	0	357.458	1.478	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](CN(C)C(=O)[C@@H]3C[C@H]3CC)C2)CC1	ZINC000988067771	833991087	/nfs/dbraw/zinc/99/10/87/833991087.db2.gz	TXPZANDARVFRAY-YQVWRLOYSA-N	1	0	359.514	1.685	20	30		FDEDRO
C=CCC[C@H](CO)NC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C	ZINC000454060587	834512351	/nfs/dbraw/zinc/51/23/51/834512351.db2.gz	RYAYBMWZTYWNNY-CJNGLKHVSA-N	1	0	361.442	1.454	20	30		FDEDRO
COCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2c(C#N)cccc2[N+](=O)[O-])C1	ZINC000459318540	834969888	/nfs/dbraw/zinc/96/98/88/834969888.db2.gz	COAVXHXSUXPGPD-DZGCQCFKSA-N	1	0	360.414	1.830	20	30		FDEDRO
C=CC[N@@H+](CCN1C(=O)N[C@@H](C)C1=O)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000459339489	835008836	/nfs/dbraw/zinc/00/88/36/835008836.db2.gz	DGTZDEXZDDJWLD-KBPBESRZSA-N	1	0	369.429	1.152	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1	ZINC000245607017	835498735	/nfs/dbraw/zinc/49/87/35/835498735.db2.gz	KFOYQUJAXVQLFQ-NVXWUHKLSA-N	1	0	357.458	1.118	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3cc(C)c(C)o3)[C@@H]2C)CC1	ZINC000988505800	835648905	/nfs/dbraw/zinc/64/89/05/835648905.db2.gz	DNDPKOSISXOXMN-QAPCUYQASA-N	1	0	371.481	1.961	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3ccncc3C)[C@@H]2C)CC1	ZINC000988506718	835660026	/nfs/dbraw/zinc/66/00/26/835660026.db2.gz	NSPIPPHYWRWHNQ-APWZRJJASA-N	1	0	368.481	1.454	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H](CCOC)c2ccccc2)C[C@H]1OC	ZINC001212031908	836345816	/nfs/dbraw/zinc/34/58/16/836345816.db2.gz	ASDYAHQGLPWWRC-CEXWTWQISA-N	1	0	362.470	1.782	20	30		FDEDRO
CC[NH+]=C(NCCN1C(=O)c2ccccc2C1=O)N1CC[C@@]2(CCOC2)C1	ZINC000179197033	836654055	/nfs/dbraw/zinc/65/40/55/836654055.db2.gz	KJZYQCWTFBBUQO-HXUWFJFHSA-N	1	0	370.453	1.361	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@@H]1O	ZINC001083456137	837336717	/nfs/dbraw/zinc/33/67/17/837336717.db2.gz	HXIMBPKATLWFBQ-QYZOEREBSA-N	1	0	356.470	1.092	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4onc(C)c4C)[C@@H]3C2)C1=O	ZINC001075924604	837384429	/nfs/dbraw/zinc/38/44/29/837384429.db2.gz	YRFBANWLOAGWEV-HRCADAONSA-N	1	0	358.442	1.225	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCC[NH2+]CC2)cc1	ZINC000666833209	837906501	/nfs/dbraw/zinc/90/65/01/837906501.db2.gz	SANBWJGJCYNUNS-AWEZNQCLSA-N	1	0	366.487	1.757	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C	ZINC000989018415	838171873	/nfs/dbraw/zinc/17/18/73/838171873.db2.gz	IFNKJEUFZCYCQK-RKVPGOIHSA-N	1	0	356.470	1.670	20	30		FDEDRO
C[N@H+](CCCCNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)C1CC1	ZINC000455624263	838396580	/nfs/dbraw/zinc/39/65/80/838396580.db2.gz	WONWJDMZLJNQES-QGZVFWFLSA-N	1	0	357.458	1.990	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1	ZINC000272007663	838427426	/nfs/dbraw/zinc/42/74/26/838427426.db2.gz	JHKMLXYTLUQWDZ-SJCJKPOMSA-N	1	0	359.426	1.899	20	30		FDEDRO
C#CCCN1CCN([C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000272050321	838427454	/nfs/dbraw/zinc/42/74/54/838427454.db2.gz	UGAJXZOAUUNQEV-PZJWPPBQSA-N	1	0	368.525	1.407	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(c3nc(C)cc(C)n3)CC2)CC1	ZINC000272841692	838449614	/nfs/dbraw/zinc/44/96/14/838449614.db2.gz	NBFSDHWDWPIJQV-UHFFFAOYSA-N	1	0	358.490	1.575	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C)nc1	ZINC000989163446	838545216	/nfs/dbraw/zinc/54/52/16/838545216.db2.gz	SRWCAIACHJEXMK-HFTRVMKXSA-N	1	0	354.454	1.266	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C)nc1	ZINC000989163808	838546460	/nfs/dbraw/zinc/54/64/60/838546460.db2.gz	GRBGDYXIKLLIOK-AYBZRNKSSA-N	1	0	368.481	1.655	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C)cn1	ZINC000989163857	838546500	/nfs/dbraw/zinc/54/65/00/838546500.db2.gz	JDVSJWFLEPYJGU-KDOFPFPSSA-N	1	0	354.454	1.124	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]2C)nc1	ZINC000989166181	838555403	/nfs/dbraw/zinc/55/54/03/838555403.db2.gz	ASCQYRKBKGCVFU-QSOKESPWSA-N	1	0	368.481	1.512	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C	ZINC001088631209	838622293	/nfs/dbraw/zinc/62/22/93/838622293.db2.gz	YZUQDCDOEAXQPU-UXPWSPDFSA-N	1	0	350.466	1.735	20	30		FDEDRO
C=CCCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1OCCO[C@H]1C)CCO2	ZINC001105472993	838650789	/nfs/dbraw/zinc/65/07/89/838650789.db2.gz	LMEYAFMARCASNO-FFEBTUMSSA-N	1	0	366.502	1.886	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)CC1	ZINC000245557869	844365466	/nfs/dbraw/zinc/36/54/66/844365466.db2.gz	KFDNXKBIOICHLI-UXHICEINSA-N	1	0	369.513	1.865	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1	ZINC000459997112	839191524	/nfs/dbraw/zinc/19/15/24/839191524.db2.gz	ROONDUVSLXFBTF-UHFFFAOYSA-N	1	0	373.497	1.770	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN(c3cnc(C#N)cn3)C2)CC[N@@H+]1C	ZINC001059968676	839534468	/nfs/dbraw/zinc/53/44/68/839534468.db2.gz	MSZXYZLSHWEIMH-BHYGNILZSA-N	1	0	356.474	1.411	20	30		FDEDRO
CC#CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)CCO2	ZINC001105480655	839757211	/nfs/dbraw/zinc/75/72/11/839757211.db2.gz	GDUKHYNIXQJNDC-JFBVMJNESA-N	1	0	361.486	1.041	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(N3CCOC3=O)cc2)c1C#N	ZINC000760306733	839779880	/nfs/dbraw/zinc/77/98/80/839779880.db2.gz	FSGWRVOWWXKVMG-UHFFFAOYSA-N	1	0	368.397	1.642	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C=C(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105589564	840106646	/nfs/dbraw/zinc/10/66/46/840106646.db2.gz	ADBWCCDZAYSXSM-YKCBXCCJSA-N	1	0	363.502	1.221	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CNC(C)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105589678	840112448	/nfs/dbraw/zinc/11/24/48/840112448.db2.gz	CAFGGQGAYYSDLI-PSBWJHGTSA-N	1	0	351.491	1.055	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CNC(C)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105591872	840132031	/nfs/dbraw/zinc/13/20/31/840132031.db2.gz	UYROANMNKJAMAD-ZAWLATJESA-N	1	0	351.491	1.055	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105597484	840765366	/nfs/dbraw/zinc/76/53/66/840765366.db2.gz	FWWKBFVHPDGTEW-XCJLJZCSSA-N	1	0	355.482	1.993	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccccc3O)[C@H]2C(C)C)C[C@H]1O	ZINC001105597703	840765440	/nfs/dbraw/zinc/76/54/40/840765440.db2.gz	GOYDCKSFZRAMIG-RBAQFSTRSA-N	1	0	356.466	1.995	20	30		FDEDRO
O=C(Nc1cccc(C#Cc2cccs2)c1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1	ZINC000667565856	844589486	/nfs/dbraw/zinc/58/94/86/844589486.db2.gz	OCWCZWWLFQWNQL-IYBDPMFKSA-N	1	0	365.458	1.764	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)O1	ZINC001075943165	840956928	/nfs/dbraw/zinc/95/69/28/840956928.db2.gz	DXTBNEKNNSIZEW-XWPNQZOQSA-N	1	0	368.481	1.310	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)CSCC#N)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCF)C2	ZINC001105600229	840981920	/nfs/dbraw/zinc/98/19/20/840981920.db2.gz	DJMPGRLXVXGGJG-TXCZRRACSA-N	1	0	357.495	1.569	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCOC(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105600997	841028101	/nfs/dbraw/zinc/02/81/01/841028101.db2.gz	QKHJUQFDANJTGB-LFGUQSLTSA-N	1	0	350.503	1.791	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3CC=CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105609896	841443210	/nfs/dbraw/zinc/44/32/10/841443210.db2.gz	CYARLMQHZRJOKG-WERVVEIQSA-N	1	0	360.498	1.569	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C)c1	ZINC000989805098	841476773	/nfs/dbraw/zinc/47/67/73/841476773.db2.gz	CMKKJBGFYZYSOD-AYOQOUSVSA-N	1	0	368.481	1.655	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C)c1	ZINC000989805711	841508309	/nfs/dbraw/zinc/50/83/09/841508309.db2.gz	XDCUGWLIVJFFJU-RKVPGOIHSA-N	1	0	354.454	1.124	20	30		FDEDRO
C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCC(C(=O)OC)CC1	ZINC000086281079	841543637	/nfs/dbraw/zinc/54/36/37/841543637.db2.gz	PSCCMWWYSCRNRJ-UHFFFAOYSA-N	1	0	366.506	1.092	20	30		FDEDRO
C=CCOCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]C/C=C/Cl)C2)[C@@H]1C(C)C	ZINC001105610405	841641070	/nfs/dbraw/zinc/64/10/70/841641070.db2.gz	KHOZUQHLNYBMIL-MOSYNENCSA-N	1	0	356.894	1.908	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc(=O)[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105610575	841652722	/nfs/dbraw/zinc/65/27/22/841652722.db2.gz	LFSJWDIPKZYAAF-CIWUYKSXSA-N	1	0	357.454	1.390	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000990001057	841778773	/nfs/dbraw/zinc/77/87/73/841778773.db2.gz	HHHTXBZPOIPQNH-HIFRSBDPSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@@H]1C	ZINC000990134486	841900996	/nfs/dbraw/zinc/90/09/96/841900996.db2.gz	CKMOYLSCKOXUTD-ZSGPHXLJSA-N	1	0	368.437	1.645	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+]CCS(=O)(=O)NCc3ccccc3)n2c1	ZINC000238018799	842203771	/nfs/dbraw/zinc/20/37/71/842203771.db2.gz	YZWQHFJNQQZJAG-UHFFFAOYSA-N	1	0	369.450	1.415	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C=C3CCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105615455	842231106	/nfs/dbraw/zinc/23/11/06/842231106.db2.gz	VQDRMEPIJBHTRL-UKAVVXHISA-N	1	0	360.498	1.713	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3OCCCO3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619610	842238336	/nfs/dbraw/zinc/23/83/36/842238336.db2.gz	OJZWKCWTHRJQQC-XNFNUYLZSA-N	1	0	366.502	1.682	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3coc(CC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105620152	842241928	/nfs/dbraw/zinc/24/19/28/842241928.db2.gz	XBMQHYLSPGHUAF-QSFMABPGSA-N	1	0	359.470	1.840	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)c2c[nH]c(C#N)c2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCF)C2	ZINC001105622597	842248016	/nfs/dbraw/zinc/24/80/16/842248016.db2.gz	DHOAILXUDMXZGH-YWTNHNAXSA-N	1	0	362.449	1.826	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C#CC(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105626951	842258771	/nfs/dbraw/zinc/25/87/71/842258771.db2.gz	JSGRHCNBRJPQGA-UKAVVXHISA-N	1	0	362.514	1.815	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C#CC(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105628562	842261188	/nfs/dbraw/zinc/26/11/88/842261188.db2.gz	WKZWKOSGUNLJGL-QCFAMHMHSA-N	1	0	360.498	1.262	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3nnc(C)o3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105628396	842261417	/nfs/dbraw/zinc/26/14/17/842261417.db2.gz	VFEYSFOOLUVOQQ-OHDICMOHSA-N	1	0	362.474	1.463	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3(OC)CCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105628953	842262100	/nfs/dbraw/zinc/26/21/00/842262100.db2.gz	ZEELSCDCFZITEE-LFGUQSLTSA-N	1	0	362.514	1.935	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(C)C)C2)[C@@H]1C(C)C	ZINC001105631431	842263711	/nfs/dbraw/zinc/26/37/11/842263711.db2.gz	BXOZNAVZRFLINF-JYBIWHBTSA-N	1	0	350.503	1.648	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3=CCCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105614295	842265622	/nfs/dbraw/zinc/26/56/22/842265622.db2.gz	GHSATDMTFXXZQV-BNDYYXHWSA-N	1	0	360.498	1.713	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn[nH]c(=O)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105637551	842272052	/nfs/dbraw/zinc/27/20/52/842272052.db2.gz	RWRFGMNOVXHHSW-IIHSZXCVSA-N	1	0	360.458	1.338	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnc(OC)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637824	842274685	/nfs/dbraw/zinc/27/46/85/842274685.db2.gz	WBUPMWJVYCEOQR-VGUOSERISA-N	1	0	371.481	1.693	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=C)Cl)C2)[C@H]1C(C)C	ZINC001105633782	842283373	/nfs/dbraw/zinc/28/33/73/842283373.db2.gz	WVLWCXLZHXOPPG-PSBWJHGTSA-N	1	0	368.905	1.745	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC3CCC3)C2)[C@H]1C(C)C	ZINC001105634195	842283806	/nfs/dbraw/zinc/28/38/06/842283806.db2.gz	ZZKDGYQAGVVXMN-UKAVVXHISA-N	1	0	362.514	1.793	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(OC)nc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105641666	842297434	/nfs/dbraw/zinc/29/74/34/842297434.db2.gz	DCXXRVGDXNZHOY-PLOVASNDSA-N	1	0	371.481	1.693	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3coc(OC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105643304	842335015	/nfs/dbraw/zinc/33/50/15/842335015.db2.gz	WPGLOGBAMCJFDO-NVQRDWNXSA-N	1	0	361.442	1.286	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cncc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105643418	842335750	/nfs/dbraw/zinc/33/57/50/842335750.db2.gz	XYKHUJZTFGUFNJ-LFGUQSLTSA-N	1	0	358.486	1.181	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCn3ccnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105646842	842400274	/nfs/dbraw/zinc/40/02/74/842400274.db2.gz	MHOUVHZMUDHUQK-JYBIWHBTSA-N	1	0	360.502	1.815	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCC(F)F)[C@H]2C(C)C)C[C@H]1O	ZINC001105646292	842405828	/nfs/dbraw/zinc/40/58/28/842405828.db2.gz	IMOQLIATQGDQAE-KJWYOANISA-N	1	0	358.429	1.258	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3n[nH]cc3F)[C@@H]2C(C)C)C[C@H]1O	ZINC001105654801	842476264	/nfs/dbraw/zinc/47/62/64/842476264.db2.gz	BQXLUIMSFSFUIF-SZXPJGKVSA-N	1	0	350.438	1.705	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3[nH]c(C)nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105656340	842492157	/nfs/dbraw/zinc/49/21/57/842492157.db2.gz	OYHBSAFULDFACD-HBXLWWENSA-N	1	0	358.486	1.630	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(F)(F)C(F)F)[C@@H]2C(C)C)C[C@H]1O	ZINC001105656415	842493341	/nfs/dbraw/zinc/49/33/41/842493341.db2.gz	PTJOKKIFYPETMY-NCZKRNLISA-N	1	0	364.383	1.876	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3nccc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105657588	842495425	/nfs/dbraw/zinc/49/54/25/842495425.db2.gz	ZIMGEMCGZOTMCP-HNBVOPMISA-N	1	0	358.486	1.181	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@@H]1C(C)C	ZINC001105659807	842505147	/nfs/dbraw/zinc/50/51/47/842505147.db2.gz	QOEYEBRAIQJTCH-VVWQDTPRSA-N	1	0	351.491	1.055	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(C)cc(C)c2)C[C@@H]1O	ZINC001083470282	842582596	/nfs/dbraw/zinc/58/25/96/842582596.db2.gz	JDIFZRCICATXJI-ZRNYENFQSA-N	1	0	358.482	1.946	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@@H]1O	ZINC001083470777	842634973	/nfs/dbraw/zinc/63/49/73/842634973.db2.gz	MZLNJOICDIXTCH-BDXSIMOUSA-N	1	0	364.511	1.823	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CC#CC)C3)[C@H]2C(C)C)nn1	ZINC001105661181	842669794	/nfs/dbraw/zinc/66/97/94/842669794.db2.gz	FVCNVOKKDNRXMA-DLVXIWMQSA-N	1	0	371.485	1.067	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccn4ccccc34)[C@H]2C)C1=O	ZINC001088736636	842675287	/nfs/dbraw/zinc/67/52/87/842675287.db2.gz	NYZZLXDFBJBGSS-AYBZRNKSSA-N	1	0	366.465	1.919	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCCCN2C(=O)C#CC2CC2)CC[N@@H+]1C	ZINC000990536511	842708658	/nfs/dbraw/zinc/70/86/58/842708658.db2.gz	MCQNULBGKUDRIJ-GBESFXJTSA-N	1	0	359.514	1.970	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105661675	842726504	/nfs/dbraw/zinc/72/65/04/842726504.db2.gz	KVQKTCPWQCDUFZ-MYZZLAAOSA-N	1	0	361.490	1.361	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(C)CCOCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105662422	842759526	/nfs/dbraw/zinc/75/95/26/842759526.db2.gz	OQWHVLBBMPZVQF-DCXXXQMHSA-N	1	0	362.514	1.793	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C	ZINC000990553460	842775573	/nfs/dbraw/zinc/77/55/73/842775573.db2.gz	TWTOXBPKWCBZOP-MLHJIOFPSA-N	1	0	365.518	1.757	20	30		FDEDRO
C[NH+](C)[C@@]1(CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)CCSC1	ZINC000462082603	843306677	/nfs/dbraw/zinc/30/66/77/843306677.db2.gz	HNMLHXMDGQHDFT-QGZVFWFLSA-N	1	0	371.470	1.698	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3[nH]cnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105667686	843681868	/nfs/dbraw/zinc/68/18/68/843681868.db2.gz	DBWGVBKAJZOPBI-JYBIWHBTSA-N	1	0	360.502	1.803	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH]nc3C3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105668436	843795704	/nfs/dbraw/zinc/79/57/04/843795704.db2.gz	XOIXGYODRJEUER-PLOVASNDSA-N	1	0	370.497	1.890	20	30		FDEDRO
C=CCCC[C@H](NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccccc1	ZINC000898441807	844701261	/nfs/dbraw/zinc/70/12/61/844701261.db2.gz	GLTODTUBWOVBTF-OTWHNJEPSA-N	1	0	371.481	1.478	20	30		FDEDRO
CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1	ZINC000898566855	844854466	/nfs/dbraw/zinc/85/44/66/844854466.db2.gz	RYOSZHDUMWJHMQ-RTBURBONSA-N	1	0	354.454	1.316	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1	ZINC000991430510	861531678	/nfs/dbraw/zinc/53/16/78/861531678.db2.gz	RPVMYLIMHFBZCJ-KURKYZTESA-N	1	0	363.502	1.558	20	30		FDEDRO
N#Cc1ccc(-c2cccc(CNC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)c2)s1	ZINC000842162671	845144638	/nfs/dbraw/zinc/14/46/38/845144638.db2.gz	ZVIQZLRXYDOTCZ-MRXNPFEDSA-N	1	0	368.462	1.756	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1[N@H+](CC(=O)N1CCC1)CC2	ZINC000990736955	845391363	/nfs/dbraw/zinc/39/13/63/845391363.db2.gz	FSDAFLNHMIZPRG-NHAYFPRASA-N	1	0	361.486	1.313	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC3(C#N)CCC3)cc2)CC1	ZINC000842222925	845745589	/nfs/dbraw/zinc/74/55/89/845745589.db2.gz	XBDHFVLYEWDEPN-UHFFFAOYSA-N	1	0	369.469	1.577	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC3CC3)C2)[C@H]1C(C)C	ZINC001105676685	845987121	/nfs/dbraw/zinc/98/71/21/845987121.db2.gz	YHLRXMVWLCXDTD-HNBVOPMISA-N	1	0	350.503	1.955	20	30		FDEDRO
C=CCN1CC[C@H](N2CC[C@H](NC(=O)c3cc[nH]c3C3CC3)[C@H]2C)C1=O	ZINC001088822595	846227207	/nfs/dbraw/zinc/22/72/07/846227207.db2.gz	ZPPMHGGVTKBBAT-COXVUDFISA-N	1	0	356.470	1.872	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@@H]1O	ZINC001083526108	846402693	/nfs/dbraw/zinc/40/26/93/846402693.db2.gz	BROCGYXGGVKAAM-MJGOQNOKSA-N	1	0	361.486	1.656	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)C[C@H]4CCCC(=O)N4)[C@@H]3C2)c1	ZINC001076018305	847029620	/nfs/dbraw/zinc/02/96/20/847029620.db2.gz	KQBANWORPLAEII-IPMKNSEASA-N	1	0	366.465	1.650	20	30		FDEDRO
COc1cnc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)nc1	ZINC001076021764	847056016	/nfs/dbraw/zinc/05/60/16/847056016.db2.gz	RTRSZPWJMOJSIZ-FUHWJXTLSA-N	1	0	363.421	1.703	20	30		FDEDRO
Cc1cc(CC(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)n(C)n1	ZINC001076036716	847126282	/nfs/dbraw/zinc/12/62/82/847126282.db2.gz	RZSWBFOLCLFRMH-AZUAARDMSA-N	1	0	363.465	1.876	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cn(C(C)C)cn4)[C@@H]3C2)C1=O	ZINC001076083569	847246557	/nfs/dbraw/zinc/24/65/57/847246557.db2.gz	HCLUOYIHQHTEKB-CGTJXYLNSA-N	1	0	371.485	1.397	20	30		FDEDRO
COc1nc(C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)co1	ZINC001076091474	847260516	/nfs/dbraw/zinc/26/05/16/847260516.db2.gz	XEVQHUKDLZYRKG-DOTOQJQBSA-N	1	0	352.394	1.901	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CCCN4CCCC4=O)C[C@H]32)cc1	ZINC001076119200	847312956	/nfs/dbraw/zinc/31/29/56/847312956.db2.gz	DLUPGHABPXDXMJ-VQTJNVASSA-N	1	0	365.477	1.827	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCN(C(C)C)C4=O)C[C@H]32)cc1	ZINC001076119504	847315021	/nfs/dbraw/zinc/31/50/21/847315021.db2.gz	NHSJKTLQOWYTRG-XUVXKRRUSA-N	1	0	365.477	1.824	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N(C)CCCOc1cccc(S(C)(=O)=O)c1	ZINC000900441099	847458352	/nfs/dbraw/zinc/45/83/52/847458352.db2.gz	ZYPVVSQSXYKMCY-UHFFFAOYSA-N	1	0	368.499	1.825	20	30		FDEDRO
C=C(Br)CN1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1	ZINC001076205288	847557361	/nfs/dbraw/zinc/55/73/61/847557361.db2.gz	YFJWWOPZDOPPMC-LSDHHAIUSA-N	1	0	356.308	1.770	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4occc4Cl)[C@@H]3C2)C1=O	ZINC001076213788	847577329	/nfs/dbraw/zinc/57/73/29/847577329.db2.gz	DUXXDSKKSFTNOG-AEGPPILISA-N	1	0	363.845	1.866	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+](CCO[C@@H]4CC4(F)F)C[C@H]32)c1	ZINC001076223126	847590906	/nfs/dbraw/zinc/59/09/06/847590906.db2.gz	JKSNSATXIAZGGI-USXIJHARSA-N	1	0	361.392	1.633	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+](CCCc4nc(C)no4)C[C@H]32)c1	ZINC001076223194	847590936	/nfs/dbraw/zinc/59/09/36/847590936.db2.gz	NFPKWPCVVOQHPF-FUHWJXTLSA-N	1	0	365.437	1.533	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]21	ZINC001076262672	847719377	/nfs/dbraw/zinc/71/93/77/847719377.db2.gz	PLRBBXKUHIILPO-MLHJIOFPSA-N	1	0	357.454	1.009	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3C[N@H+](CCc4ccns4)C[C@H]32)nn1	ZINC001076336098	847881179	/nfs/dbraw/zinc/88/11/79/847881179.db2.gz	KDOHGQWQWCLNPQ-XJKSGUPXSA-N	1	0	358.471	1.310	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cccc(F)c4)C[C@H]32)nn1	ZINC001076336150	847881332	/nfs/dbraw/zinc/88/13/32/847881332.db2.gz	MBEABGXFBFYSQQ-MAUKXSAKSA-N	1	0	355.417	1.950	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](CCc4ccccc4F)C[C@H]32)nn1	ZINC001076336182	847881371	/nfs/dbraw/zinc/88/13/71/847881371.db2.gz	NNZIVYRECUZTJV-QFBILLFUSA-N	1	0	369.444	1.992	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)CCN4CCOCC4)[C@@H]3C2)cc1	ZINC001076365685	847965231	/nfs/dbraw/zinc/96/52/31/847965231.db2.gz	JMBPJLLMVRSTFT-VQTJNVASSA-N	1	0	368.481	1.313	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4cnon4)[C@@H]3C2)cc1	ZINC001076379018	848013425	/nfs/dbraw/zinc/01/34/25/848013425.db2.gz	BEMVMRJRDOXDEN-WMLDXEAASA-N	1	0	353.382	1.318	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21	ZINC001076504913	848304523	/nfs/dbraw/zinc/30/45/23/848304523.db2.gz	YGQFVHFFEGLTLE-GBESFXJTSA-N	1	0	351.450	1.022	20	30		FDEDRO
Cn1cc(CCC(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)cn1	ZINC001076602890	848546036	/nfs/dbraw/zinc/54/60/36/848546036.db2.gz	HFULYAXAICJFAN-VQTJNVASSA-N	1	0	363.465	1.957	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(Cc4ncc(C)o4)C[C@H]32)CC1	ZINC001076604495	848553443	/nfs/dbraw/zinc/55/34/43/848553443.db2.gz	IZHCVVVEKJYIHJ-ZWKOTPCHSA-N	1	0	356.470	1.361	20	30		FDEDRO
Cn1cc(CCC(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)nn1	ZINC001076640874	848634429	/nfs/dbraw/zinc/63/44/29/848634429.db2.gz	QFHBIVUMRJOTOK-PKOBYXMFSA-N	1	0	364.453	1.352	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001076745415	848942532	/nfs/dbraw/zinc/94/25/32/848942532.db2.gz	CXFLAENJPQUGFD-FRQCXROJSA-N	1	0	355.482	1.562	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCC3(F)F)C[C@H]2O)c[nH]1	ZINC001076906284	849301164	/nfs/dbraw/zinc/30/11/64/849301164.db2.gz	UFGKVUUHRVJXAV-BPLDGKMQSA-N	1	0	352.385	1.487	20	30		FDEDRO
COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)Cc3ccoc3)C2)cc1C#N	ZINC001076919456	849318575	/nfs/dbraw/zinc/31/85/75/849318575.db2.gz	NJSMJMWFNKPCTB-IAGOWNOFSA-N	1	0	355.394	1.064	20	30		FDEDRO
CC(C)(C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1O)[NH+]1CCCCC1	ZINC001076999601	849500432	/nfs/dbraw/zinc/50/04/32/849500432.db2.gz	XUDSKRWMSFTKHC-RTBURBONSA-N	1	0	370.497	1.484	20	30		FDEDRO
N#Cc1cccc(CN2C[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)[C@@H](O)C2)c1	ZINC001083559778	849551709	/nfs/dbraw/zinc/55/17/09/849551709.db2.gz	BSHXCOLOPFDMJQ-MOPGFXCFSA-N	1	0	368.481	1.096	20	30		FDEDRO
CNC(=O)C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccccc1	ZINC000483428978	849566656	/nfs/dbraw/zinc/56/66/56/849566656.db2.gz	XENYBBYXCOIPJV-MJGOQNOKSA-N	1	0	353.422	1.765	20	30		FDEDRO
COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC34CC4)C2)cc1C#N	ZINC001077223686	850114680	/nfs/dbraw/zinc/11/46/80/850114680.db2.gz	LPLCQJLOLITISR-RCCFBDPRSA-N	1	0	369.465	1.808	20	30		FDEDRO
N#Cc1ccccc1CN1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1	ZINC001077219292	850134247	/nfs/dbraw/zinc/13/42/47/850134247.db2.gz	PGZWFZKELVGTBO-RTBURBONSA-N	1	0	368.481	1.096	20	30		FDEDRO
O=C(N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O)c1ccn2c[nH+]cc2c1	ZINC001077310948	850507798	/nfs/dbraw/zinc/50/77/98/850507798.db2.gz	JKPYDVJKRPISGW-WOJBJXKFSA-N	1	0	360.417	1.161	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(c1nc(Cn3cc(Br)cn3)no1)C2	ZINC000904096487	850968542	/nfs/dbraw/zinc/96/85/42/850968542.db2.gz	IZHBTMLNZJCODT-XIRUVYRFSA-N	1	0	363.219	1.684	20	30		FDEDRO
N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(=O)n(Cc2cccc(F)c2)c1	ZINC000904608403	851309688	/nfs/dbraw/zinc/30/96/88/851309688.db2.gz	YPWGCHSGFGVKLY-CZUORRHYSA-N	1	0	355.373	1.269	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1	ZINC000904958223	851551989	/nfs/dbraw/zinc/55/19/89/851551989.db2.gz	IEFPXGXTKLWFMX-GOSISDBHSA-N	1	0	362.499	1.802	20	30		FDEDRO
CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]CC#Cc2ccccc2)CCC1	ZINC000905029912	851626906	/nfs/dbraw/zinc/62/69/06/851626906.db2.gz	DJOMAAIIHSZDDE-KRWDZBQOSA-N	1	0	364.511	1.629	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@H]1CCOc2ccc(Br)cc21	ZINC000913523514	862289638	/nfs/dbraw/zinc/28/96/38/862289638.db2.gz	CMIGSPZLECOZIU-ZDUSSCGKSA-N	1	0	351.244	1.996	20	30		FDEDRO
CCN(CC)S(=O)(=O)c1cc(C(=O)NCC#CC[NH+](C)C)ccc1C	ZINC000913515427	862295090	/nfs/dbraw/zinc/29/50/90/862295090.db2.gz	XCHCTUXXGWDGCI-UHFFFAOYSA-N	1	0	365.499	1.320	20	30		FDEDRO
CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC#CC[NH+](C)C	ZINC000913516934	862300165	/nfs/dbraw/zinc/30/01/65/862300165.db2.gz	MBAYGMKMZVGSTK-IBGZPJMESA-N	1	0	368.481	1.532	20	30		FDEDRO
C#CCN1CCC[C@H]([NH2+]CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1	ZINC000905458915	851961701	/nfs/dbraw/zinc/96/17/01/851961701.db2.gz	DPGDJYUHMXJAPR-SFHVURJKSA-N	1	0	368.481	1.829	20	30		FDEDRO
CN(CC(=O)NCC#CC[NH+](C)C)c1ccc(C(F)(F)F)cc1C=O	ZINC000913519426	862305193	/nfs/dbraw/zinc/30/51/93/862305193.db2.gz	ZICYALSAKSEWJT-UHFFFAOYSA-N	1	0	355.360	1.635	20	30		FDEDRO
CS(=O)(=O)C1CCC(C[NH2+]C[C@H](O)COc2ccccc2C#N)CC1	ZINC000905507045	851980599	/nfs/dbraw/zinc/98/05/99/851980599.db2.gz	AUVYQQFMBITXSK-WIHSUSGWSA-N	1	0	366.483	1.491	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1ccc(S(C)(=O)=O)c(Br)c1	ZINC000913520766	862306880	/nfs/dbraw/zinc/30/68/80/862306880.db2.gz	XUKGVLNXUGFZNU-UHFFFAOYSA-N	1	0	373.272	1.147	20	30		FDEDRO
CC(=O)c1cc(Br)ccc1OCC(=O)NCC#CC[NH+](C)C	ZINC000913522638	862308348	/nfs/dbraw/zinc/30/83/48/862308348.db2.gz	RQKJSJDNMIYJBQ-UHFFFAOYSA-N	1	0	367.243	1.712	20	30		FDEDRO
CN(C)[C@@H](CC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C(F)(F)F	ZINC000905574844	852046814	/nfs/dbraw/zinc/04/68/14/852046814.db2.gz	DFJRXSFIISTXNP-AWEZNQCLSA-N	1	0	363.405	1.804	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC[C@H](O)COc1ccccc1C#N)c1cccnc1	ZINC000905550877	852052711	/nfs/dbraw/zinc/05/27/11/852052711.db2.gz	JIQUGPIWHZGWLR-RBUKOAKNSA-N	1	0	354.454	1.976	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCO[C@](C)(C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1	ZINC000905589560	852080973	/nfs/dbraw/zinc/08/09/73/852080973.db2.gz	ZGUSZCRMXWVKAS-KBXCAEBGSA-N	1	0	355.479	1.903	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C	ZINC000905655856	852122982	/nfs/dbraw/zinc/12/29/82/852122982.db2.gz	SAMRAKRBHKQGRG-LSDHHAIUSA-N	1	0	354.495	1.428	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2C[C@@](CO)(c3ccccc3)C2)cc1	ZINC000905642434	852138315	/nfs/dbraw/zinc/13/83/15/852138315.db2.gz	XXNOBJGOLCKFIL-SBHAEUEKSA-N	1	0	352.434	1.980	20	30		FDEDRO
CN1CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C[C@@H]1CO	ZINC000913543859	862345483	/nfs/dbraw/zinc/34/54/83/862345483.db2.gz	RBOQYTVYALOPDO-MRXNPFEDSA-N	1	0	360.433	1.049	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CSCN1C(=O)CCCC)C1CC[NH+](C)CC1	ZINC000906452017	852901322	/nfs/dbraw/zinc/90/13/22/852901322.db2.gz	MSQNJJBAFUUZND-INIZCTEOSA-N	1	0	351.516	1.634	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1	ZINC000668568028	853204508	/nfs/dbraw/zinc/20/45/08/853204508.db2.gz	QUQNZRZHFFNMNK-UHFFFAOYSA-N	1	0	369.531	1.173	20	30		FDEDRO
N#CCCSc1ccccc1NC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2	ZINC000906764049	853281345	/nfs/dbraw/zinc/28/13/45/853281345.db2.gz	BUEWCPVNPLVWRZ-SFHVURJKSA-N	1	0	358.467	1.985	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)cc1C(F)(F)F	ZINC000906766351	853287456	/nfs/dbraw/zinc/28/74/56/853287456.db2.gz	VHEWRWWEDRWJHK-MRXNPFEDSA-N	1	0	366.343	1.870	20	30		FDEDRO
COc1cccc([C@@H](CNS(=O)(=O)c2ccc(C#N)cn2)N(C)C)c1	ZINC000906807950	853326379	/nfs/dbraw/zinc/32/63/79/853326379.db2.gz	NQIRALATRWBQLB-MRXNPFEDSA-N	1	0	360.439	1.543	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC(OCC[NH+]3CCCC3)CC2)nc1	ZINC000907014259	853692640	/nfs/dbraw/zinc/69/26/40/853692640.db2.gz	NFTVJIXATFLLBO-UHFFFAOYSA-N	1	0	364.471	1.219	20	30		FDEDRO
C#Cc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1	ZINC000907077519	853745935	/nfs/dbraw/zinc/74/59/35/853745935.db2.gz	AEOLSRZDDFDIJF-LPHOPBHVSA-N	1	0	361.511	1.314	20	30		FDEDRO
C=CCn1c([C@H]2CCOC2)nnc1N1CC[N@H+](CCOC)[C@@H](CCC)C1	ZINC000508911106	862507329	/nfs/dbraw/zinc/50/73/29/862507329.db2.gz	GWXUKTNSMGWSKZ-IRXDYDNUSA-N	1	0	363.506	1.905	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1CN(CC(=O)NC(CC)CC)C[C@H]1OC	ZINC001212148267	862528201	/nfs/dbraw/zinc/52/82/01/862528201.db2.gz	FBJPNMZIONATMZ-IAGOWNOFSA-N	1	0	351.491	1.300	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c[nH]c2ncc(Cl)cc12	ZINC000907428333	854197290	/nfs/dbraw/zinc/19/72/90/854197290.db2.gz	BXKPJNDRKMNZTL-UHFFFAOYSA-N	1	0	366.874	1.934	20	30		FDEDRO
N#CCc1ccc(CS(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cc1	ZINC000908013514	854909022	/nfs/dbraw/zinc/90/90/22/854909022.db2.gz	TUUWNMNSRKEEQH-QZTJIDSGSA-N	1	0	363.483	1.113	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)Nc1ccc(N2CCN(C(=O)OC)CC2)nc1	ZINC000908441698	855429303	/nfs/dbraw/zinc/42/93/03/855429303.db2.gz	VJTAKRJBERYSPV-UHFFFAOYSA-N	1	0	361.446	1.416	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H](C)n1cnc2c1ncnc2N)C(C)C	ZINC000668683333	855429493	/nfs/dbraw/zinc/42/94/93/855429493.db2.gz	VGTYCWSDDZHMFJ-CABCVRRESA-N	1	0	371.489	1.784	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C	ZINC000908460445	855445714	/nfs/dbraw/zinc/44/57/14/855445714.db2.gz	TWNCOWWJTWLTPX-KRWDZBQOSA-N	1	0	367.519	1.425	20	30		FDEDRO
C#CCCCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CC=C	ZINC000908726511	855754518	/nfs/dbraw/zinc/75/45/18/855754518.db2.gz	IRCSAFYMOQLSFC-KRWDZBQOSA-N	1	0	370.501	1.163	20	30		FDEDRO
C#CCCCc1nnc(N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)n1CC	ZINC000908879076	855939369	/nfs/dbraw/zinc/93/93/69/855939369.db2.gz	PEKJPHMCMMJETF-MRXNPFEDSA-N	1	0	358.490	1.045	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCC(c2ncc[nH]2)CC1	ZINC000910597124	857390063	/nfs/dbraw/zinc/39/00/63/857390063.db2.gz	LCJRDTXFQWVBII-UHFFFAOYSA-N	1	0	357.439	1.707	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21	ZINC000910669627	857487258	/nfs/dbraw/zinc/48/72/58/857487258.db2.gz	KRDNFHSCCKBQBZ-GOEBONIOSA-N	1	0	360.483	1.521	20	30		FDEDRO
CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C	ZINC000910733561	857569122	/nfs/dbraw/zinc/56/91/22/857569122.db2.gz	WLOKQHNFMWDQEC-QGZVFWFLSA-N	1	0	374.485	1.096	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CC[C@H](c2ccccc2C)C1)C1CC[NH+](C)CC1	ZINC000910884408	857834443	/nfs/dbraw/zinc/83/44/43/857834443.db2.gz	CAJRLZGQZIYVTI-SFHVURJKSA-N	1	0	367.493	1.867	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2	ZINC000910906124	857876165	/nfs/dbraw/zinc/87/61/65/857876165.db2.gz	KCCGYJISUZOQIC-GOSISDBHSA-N	1	0	360.483	1.522	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21	ZINC000911014661	858040188	/nfs/dbraw/zinc/04/01/88/858040188.db2.gz	JNVCJSLRVKFOQH-JXFKEZNVSA-N	1	0	373.453	1.067	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)CCCCCO	ZINC000669336126	863004488	/nfs/dbraw/zinc/00/44/88/863004488.db2.gz	WLNHJOCJXYINDV-SJORKVTESA-N	1	0	363.506	1.989	20	30		FDEDRO
CCCCCCCCNC(=O)C(=O)N1CC[NH2+]CCC12CCOCC2	ZINC000911269637	858385981	/nfs/dbraw/zinc/38/59/81/858385981.db2.gz	ZFVVXJROJSHWDZ-UHFFFAOYSA-N	1	0	353.507	1.834	20	30		FDEDRO
CCCCCCCCNC(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1	ZINC000911266900	858419506	/nfs/dbraw/zinc/41/95/06/858419506.db2.gz	JVHDRMJAZNPUPC-INIZCTEOSA-N	1	0	353.507	1.820	20	30		FDEDRO
C=CCCC[C@@H](NC(=O)C(=O)NCCN1CCC([NH3+])CC1)c1ccccc1	ZINC000911364942	858527001	/nfs/dbraw/zinc/52/70/01/858527001.db2.gz	JDCAGJNHXASQNV-LJQANCHMSA-N	1	0	372.513	1.740	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2	ZINC000911443138	858626009	/nfs/dbraw/zinc/62/60/09/858626009.db2.gz	PPZZNNDAXCOIRF-WIYYLYMNSA-N	1	0	371.481	1.858	20	30		FDEDRO
N#CC1(c2ccccn2)CCN(C(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1	ZINC000911564730	858785370	/nfs/dbraw/zinc/78/53/70/858785370.db2.gz	VPAYKOVOJLUSFR-INIZCTEOSA-N	1	0	369.469	1.114	20	30		FDEDRO
CNC(=O)CN1CCC(NC(NCc2cc3ccccc3[nH]2)=[NH+]C)CC1	ZINC000911600969	858824742	/nfs/dbraw/zinc/82/47/42/858824742.db2.gz	BXBKMURKRAFVMX-UHFFFAOYSA-N	1	0	356.474	1.043	20	30		FDEDRO
CCCNC(=O)C[C@@H](C(N)=O)[N@H+](CCC)CCOc1ccccc1C#N	ZINC000272756671	881362219	/nfs/dbraw/zinc/36/22/19/881362219.db2.gz	NZZSIBPKIAARAJ-INIZCTEOSA-N	1	0	360.458	1.419	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12	ZINC000912080958	859335880	/nfs/dbraw/zinc/33/58/80/859335880.db2.gz	DBJJGMWYPBOMMT-VHDGCEQUSA-N	1	0	354.497	1.285	20	30		FDEDRO
C=CCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1	ZINC000912220737	859490498	/nfs/dbraw/zinc/49/04/98/859490498.db2.gz	JKFYMMYYXBLARA-OAHLLOKOSA-N	1	0	359.426	1.383	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3C)[C@H](C)C2)c1	ZINC000994248044	881453071	/nfs/dbraw/zinc/45/30/71/881453071.db2.gz	ZHQMKNWADGRWKJ-ATZDWAIDSA-N	1	0	368.481	1.372	20	30		FDEDRO
C#CCN(CC(=O)OC(C)(C)C)C(=O)CCN1CC[NH+](C(C)C)CC1	ZINC000912401269	859719965	/nfs/dbraw/zinc/71/99/65/859719965.db2.gz	RWYZBDAGPNEKRS-UHFFFAOYSA-N	1	0	351.491	1.206	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)CCC[C@H]12	ZINC000991381615	859728925	/nfs/dbraw/zinc/72/89/25/859728925.db2.gz	DKHBZBPSMOAUJL-KNCOVGOOSA-N	1	0	360.376	1.469	20	30		FDEDRO
COc1cc(CNC(NC(C)(C)C)=[NH+]C(C)C)ccc1OCC(N)=O	ZINC000912509513	859833652	/nfs/dbraw/zinc/83/36/52/859833652.db2.gz	JMPKZXAKHKVEBC-UHFFFAOYSA-N	1	0	350.463	1.801	20	30		FDEDRO
C=CCNc1ncc(C(=O)N2CCC(CO)([NH2+]CC(C)C)CC2)s1	ZINC000912595863	859929193	/nfs/dbraw/zinc/92/91/93/859929193.db2.gz	HRXMZEVSVFDYGJ-UHFFFAOYSA-N	1	0	352.504	1.954	20	30		FDEDRO
CN(CC[N@H+](C)CCO)C(=O)COc1ccc(C#N)c(Br)c1	ZINC000912598872	859932627	/nfs/dbraw/zinc/93/26/27/859932627.db2.gz	ISXIISWIBFCXTO-UHFFFAOYSA-N	1	0	370.247	1.082	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCO1	ZINC000668997068	860054823	/nfs/dbraw/zinc/05/48/23/860054823.db2.gz	WFYAFERLAZKPFS-DOMZBBRYSA-N	1	0	355.360	1.815	20	30		FDEDRO
COCC[N@H+](C)CCNC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1	ZINC000916329906	881527928	/nfs/dbraw/zinc/52/79/28/881527928.db2.gz	BHZGXXOAPDLLBX-INIZCTEOSA-N	1	0	360.462	1.117	20	30		FDEDRO
C=CCn1c([C@@H]2CCO[C@@H]2C)nnc1N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000669045197	860994015	/nfs/dbraw/zinc/99/40/15/860994015.db2.gz	GQRQOILURMYYEJ-BRWVUGGUSA-N	1	0	363.506	1.904	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1C[C@@H](C)N(CCO)C[C@@H]1C	ZINC000916416460	881610581	/nfs/dbraw/zinc/61/05/81/881610581.db2.gz	BWKNFUXRCWXFSS-CVEARBPZSA-N	1	0	365.499	1.392	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCC(C)=O)C[C@H]1C	ZINC001105820802	863377271	/nfs/dbraw/zinc/37/72/71/863377271.db2.gz	NNXZELXVSRYKKL-SJLPKXTDSA-N	1	0	363.502	1.630	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]CC(=O)N1CCC[C@H](C)C1	ZINC001105845943	863474666	/nfs/dbraw/zinc/47/46/66/863474666.db2.gz	AWNPQWFYUIKZTL-ARFHVFGLSA-N	1	0	366.531	1.186	20	30		FDEDRO
CC(C)CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C	ZINC001105849832	863484598	/nfs/dbraw/zinc/48/45/98/863484598.db2.gz	DLGFOQDDMADNJC-QLFBSQMISA-N	1	0	354.520	1.088	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CCOC(C)C)C[C@H]1C	ZINC001105849884	863486538	/nfs/dbraw/zinc/48/65/38/863486538.db2.gz	FTOOYVKRLWYTOX-IAGOWNOFSA-N	1	0	366.506	1.248	20	30		FDEDRO
CC(C)c1nnc(C[NH2+]C[C@@H]2CN(C(=O)CSCC#N)C[C@H]2C)o1	ZINC001105847956	863492703	/nfs/dbraw/zinc/49/27/03/863492703.db2.gz	LVWJFIKEPWEBSJ-CHWSQXEVSA-N	1	0	351.476	1.634	20	30		FDEDRO
COc1cc(C[NH2+]C[C@@H]2CN(C(=O)CSCC#N)C[C@H]2C)sn1	ZINC001105849463	863498846	/nfs/dbraw/zinc/49/88/46/863498846.db2.gz	VPKIICYZYMYURO-VXGBXAGGSA-N	1	0	354.501	1.593	20	30		FDEDRO
COC(=O)NCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1	ZINC001105877984	863610932	/nfs/dbraw/zinc/61/09/32/863610932.db2.gz	BQDLWAISUGRXQP-VXGBXAGGSA-N	1	0	350.444	1.160	20	30		FDEDRO
N#CCSCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccc3nonc3c1)C2	ZINC001111600503	863648820	/nfs/dbraw/zinc/64/88/20/863648820.db2.gz	WDYUVQIRZJBVMA-KSSFIOAISA-N	1	0	371.466	1.950	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)/C(C)=C/CC)C[C@H]1C	ZINC001105894034	863735118	/nfs/dbraw/zinc/73/51/18/863735118.db2.gz	NLSTWJHJHUYMAO-BOAURLRDSA-N	1	0	364.490	1.427	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C(C)C)[C@H](C)C1	ZINC001105914788	863969471	/nfs/dbraw/zinc/96/94/71/863969471.db2.gz	FILDUCCNKPIVJJ-BRWVUGGUSA-N	1	0	353.507	1.519	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C2CC2)[C@H](C)C1	ZINC001105915073	863972937	/nfs/dbraw/zinc/97/29/37/863972937.db2.gz	QXSZTLSTIQGPKG-RBSFLKMASA-N	1	0	362.478	1.173	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2c(C)nnn2CC)[C@H](C)C1	ZINC001105915265	863974072	/nfs/dbraw/zinc/97/40/72/863974072.db2.gz	ZDPITJPHLNBJCE-DJIMGWMZSA-N	1	0	363.506	1.772	20	30		FDEDRO
CCNC(=O)CCC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1	ZINC001105931360	864075404	/nfs/dbraw/zinc/07/54/04/864075404.db2.gz	JPGSWOPANIESBJ-IEBWSBKVSA-N	1	0	355.482	1.639	20	30		FDEDRO
CCC(=O)NCC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccc(F)cc2)[C@H](C)C1	ZINC001105945173	864180471	/nfs/dbraw/zinc/18/04/71/864180471.db2.gz	MZIABRVNEHFAHX-NVXWUHKLSA-N	1	0	359.445	1.388	20	30		FDEDRO
CCN(Cc1ccccc1)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C	ZINC001105951569	864210636	/nfs/dbraw/zinc/21/06/36/864210636.db2.gz	HENFJFROZIMPBK-ZHALLVOQSA-N	1	0	370.497	1.879	20	30		FDEDRO
Cc1ccc(CN(C)C(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)o1	ZINC001105952134	864211713	/nfs/dbraw/zinc/21/17/13/864211713.db2.gz	RRFJFUCCYDVKTJ-SQWLQELKSA-N	1	0	360.458	1.390	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2CC=CC2)C[C@H]1C	ZINC001105971602	864277267	/nfs/dbraw/zinc/27/72/67/864277267.db2.gz	IAJBQUDFUDHKOY-IJEWVQPXSA-N	1	0	362.474	1.037	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2CC=CC2)C[C@H]1C	ZINC001105971601	864277398	/nfs/dbraw/zinc/27/73/98/864277398.db2.gz	IAJBQUDFUDHKOY-IIAWOOMASA-N	1	0	362.474	1.037	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCc3ncnn32)[C@H](C)C1	ZINC001105981648	864325137	/nfs/dbraw/zinc/32/51/37/864325137.db2.gz	DFUPOGOEWNVUKF-BRWVUGGUSA-N	1	0	361.490	1.432	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]CC(=O)N(C)CC1CC1	ZINC001105985593	864344624	/nfs/dbraw/zinc/34/46/24/864344624.db2.gz	OGQOEUHCVPKOPC-CZUORRHYSA-N	1	0	357.458	1.052	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]Cc2nc(N(C)C)no2)[C@H](C)C1	ZINC001105986072	864356164	/nfs/dbraw/zinc/35/61/64/864356164.db2.gz	ZQTDYXHSZHWWSE-HUUCEWRRSA-N	1	0	365.478	1.303	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1OC	ZINC001212184690	864524362	/nfs/dbraw/zinc/52/43/62/864524362.db2.gz	DLEWDNFJDNUWGD-WOJBJXKFSA-N	1	0	366.465	1.991	20	30		FDEDRO
CCC(C)(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC001106016172	864656291	/nfs/dbraw/zinc/65/62/91/864656291.db2.gz	SFRRTYTUQTZRMV-ZIAGYGMSSA-N	1	0	359.474	1.489	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]CC(=O)NCC1CCC1	ZINC001106017703	864660856	/nfs/dbraw/zinc/66/08/56/864660856.db2.gz	RZWQWDSIHKLRGX-UKRRQHHQSA-N	1	0	357.458	1.100	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CO[C@@H](C)CC)C[C@H]1C	ZINC001106020645	864719477	/nfs/dbraw/zinc/71/94/77/864719477.db2.gz	IMYYLRJFZNNQQU-FGTMMUONSA-N	1	0	367.534	1.910	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]CCCO[C@H]1CCOC1	ZINC001106027739	864868328	/nfs/dbraw/zinc/86/83/28/864868328.db2.gz	DVWQDNXLGFPMSQ-KYJSFNMBSA-N	1	0	360.458	1.380	20	30		FDEDRO
CCN(CC)C(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC001106029507	864883697	/nfs/dbraw/zinc/88/36/97/864883697.db2.gz	VLPXSWUEFNQVJE-IIAWOOMASA-N	1	0	359.474	1.441	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@@H]2CCOC2)[C@H](C)C1	ZINC001106030518	864894459	/nfs/dbraw/zinc/89/44/59/864894459.db2.gz	BBLAQWCEZMPXKB-FGTMMUONSA-N	1	0	363.502	1.017	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)COC(C)(C)C)C[C@H]1C	ZINC001106030516	864894683	/nfs/dbraw/zinc/89/46/83/864894683.db2.gz	AZKLFTDAXHCMHX-HZPDHXFCSA-N	1	0	366.506	1.248	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)COC(C)(C)C)C[C@H]1C	ZINC001106031081	864903779	/nfs/dbraw/zinc/90/37/79/864903779.db2.gz	PPZWAMMNOJTBCS-IAGOWNOFSA-N	1	0	367.534	1.910	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]CCCc2ccc(C)cc2)[C@H](C)C1	ZINC001106034814	864915330	/nfs/dbraw/zinc/91/53/30/864915330.db2.gz	MQMOPNYCXRQHFV-UYAOXDASSA-N	1	0	369.509	1.751	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2ccccc2C)[C@H](C)C1	ZINC001106035280	864916492	/nfs/dbraw/zinc/91/64/92/864916492.db2.gz	QCKXPDFBWIYIAU-FGTMMUONSA-N	1	0	355.482	1.880	20	30		FDEDRO
CNC(=O)CCCC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1	ZINC001106040768	864947994	/nfs/dbraw/zinc/94/79/94/864947994.db2.gz	UBNMHUFKKBVMJK-IEBWSBKVSA-N	1	0	355.482	1.639	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CC[NH+](CC2)C3)cc1	ZINC001004869605	881820908	/nfs/dbraw/zinc/82/09/08/881820908.db2.gz	CBGYWFOYTDLAQJ-QRVBRYPASA-N	1	0	363.461	1.625	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2)[C@@H]1C	ZINC001088867951	864999680	/nfs/dbraw/zinc/99/96/80/864999680.db2.gz	AWGKGMMBDALPJG-ZSGPHXLJSA-N	1	0	357.454	1.456	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2cnnc(C)c2)C[C@H]1C	ZINC001106052553	865026307	/nfs/dbraw/zinc/02/63/07/865026307.db2.gz	GIJHQTQKAJDWMW-QMTHXVAHSA-N	1	0	353.264	1.991	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nc(C(C)(C)C)no2)[C@H](C)C1	ZINC001106058612	865072280	/nfs/dbraw/zinc/07/22/80/865072280.db2.gz	GRCSZKHQUWHAHK-LPMFXHHGSA-N	1	0	364.490	1.878	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nnc(C3CC3)s2)[C@H](C)C1	ZINC001106064569	865109356	/nfs/dbraw/zinc/10/93/56/865109356.db2.gz	DCDRVNOUWBTFGQ-RVZJWNSFSA-N	1	0	364.515	1.927	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]CCNC(=O)NC(C)(C)C)[C@H](C)C1	ZINC001106064741	865109466	/nfs/dbraw/zinc/10/94/66/865109466.db2.gz	GSLSILCVFREHMB-HZPDHXFCSA-N	1	0	350.507	1.572	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+][C@@H]2CCN(c3ccn(C)n3)C2=O)[C@H](C)C1	ZINC001106066059	865122246	/nfs/dbraw/zinc/12/22/46/865122246.db2.gz	RTNHBDDSTLUQAW-BRWVUGGUSA-N	1	0	371.485	1.013	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(NC(C)=O)c2C)C[C@H]1C	ZINC001106876306	881851792	/nfs/dbraw/zinc/85/17/92/881851792.db2.gz	RKDBPJUUZXZVKY-CRAIPNDOSA-N	1	0	371.481	1.901	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](CCc3ccnn3C)[C@@H]2C)nn1	ZINC001088910856	865397123	/nfs/dbraw/zinc/39/71/23/865397123.db2.gz	LJVIUZFSDYXCOI-ZBFHGGJFSA-N	1	0	357.462	1.023	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](C[C@H]3CC(C)(C)CO3)[C@@H]2C)nn1	ZINC001088911265	865400092	/nfs/dbraw/zinc/40/00/92/865400092.db2.gz	HRMOLTYSWMNFIH-OAGGEKHMSA-N	1	0	361.490	1.862	20	30		FDEDRO
CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)[C@@H]2C)nn1	ZINC001088947193	865649209	/nfs/dbraw/zinc/64/92/09/865649209.db2.gz	NOEQTWCHRXLQSC-PBHICJAKSA-N	1	0	368.441	1.593	20	30		FDEDRO
CCc1cc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)oc1CC	ZINC001106884445	881899859	/nfs/dbraw/zinc/89/98/59/881899859.db2.gz	FENODDIJCLUTOB-UKRRQHHQSA-N	1	0	360.458	1.342	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCC(F)(F)C3)C[C@@H]2O)nn1	ZINC001083849043	881900561	/nfs/dbraw/zinc/90/05/61/881900561.db2.gz	LBUZECLCLCVKJU-NFAWXSAZSA-N	1	0	369.416	1.065	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cccn(C)c2=O)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088988939	865940217	/nfs/dbraw/zinc/94/02/17/865940217.db2.gz	YQRFWQPNJGUTLX-KDOFPFPSSA-N	1	0	350.422	1.650	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)C[C@H]1OC	ZINC001212193497	865971390	/nfs/dbraw/zinc/97/13/90/865971390.db2.gz	GIVMCUXWMBTOLB-SFHLNBCPSA-N	1	0	369.465	1.877	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)CC(F)(F)F)C[C@H]1C	ZINC001106887379	881935151	/nfs/dbraw/zinc/93/51/51/881935151.db2.gz	MEIZFSDWUDLKTL-HZSPNIEDSA-N	1	0	363.424	1.951	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)CC(F)(F)F)C[C@H]1C	ZINC001106887417	881935543	/nfs/dbraw/zinc/93/55/43/881935543.db2.gz	OAZSCMJTOLEWGF-HZSPNIEDSA-N	1	0	361.408	1.399	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3cccc(OC)c3)[C@H]2C)C1=O	ZINC001089019614	866102963	/nfs/dbraw/zinc/10/29/63/866102963.db2.gz	VTBOSNNUIPELEW-AYOQOUSVSA-N	1	0	371.481	1.604	20	30		FDEDRO
C#CCCCNC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000174102148	866261951	/nfs/dbraw/zinc/26/19/51/866261951.db2.gz	IVTQQQJZFQVNNE-GOSISDBHSA-N	1	0	356.470	1.597	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c1	ZINC000456010864	866624666	/nfs/dbraw/zinc/62/46/66/866624666.db2.gz	UTHKQWFRJMJIBY-UHFFFAOYSA-N	1	0	357.458	1.788	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(C(=O)C(C)(C)[NH+]2CCCC2)C1	ZINC000991986426	866827353	/nfs/dbraw/zinc/82/73/53/866827353.db2.gz	CIIVIFJLUAUVKU-IRXDYDNUSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000508845002	867564441	/nfs/dbraw/zinc/56/44/41/867564441.db2.gz	MCYCFEISODKSSV-INIZCTEOSA-N	1	0	360.506	1.722	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2cnn(CC)n2)C[C@H]1C	ZINC001106086072	867707874	/nfs/dbraw/zinc/70/78/74/867707874.db2.gz	WNURTWGVMSIJDE-ZYHUDNBSSA-N	1	0	356.268	1.504	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(Cc3nc(C)no3)CC2)CC1	ZINC000125980313	867971265	/nfs/dbraw/zinc/97/12/65/867971265.db2.gz	XDUNVFNACRMJBI-UHFFFAOYSA-N	1	0	362.478	1.246	20	30		FDEDRO
CCOCCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1C	ZINC001106105071	868135999	/nfs/dbraw/zinc/13/59/99/868135999.db2.gz	LFKMOWGNSYLQGH-KZNAEPCWSA-N	1	0	365.518	1.261	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C)C(=O)NCc1ccco1	ZINC001106106032	868165668	/nfs/dbraw/zinc/16/56/68/868165668.db2.gz	DTMLUZYCXVXKSG-HLLBOEOZSA-N	1	0	357.454	1.382	20	30		FDEDRO
N#Cc1ccc(C[NH+]2CCC(NCc3nnnn3CC3CC3)CC2)cc1	ZINC000463275614	868428235	/nfs/dbraw/zinc/42/82/35/868428235.db2.gz	WIRDMUMDYSBYTC-UHFFFAOYSA-N	1	0	351.458	1.709	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C#N)ccc2OC)C[C@H]1C	ZINC000443354043	868465072	/nfs/dbraw/zinc/46/50/72/868465072.db2.gz	HZIXZDMUISJPER-UKRRQHHQSA-N	1	0	358.442	1.837	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCO[C@@H](C)CC(C)C)C[C@H]1C	ZINC001106114171	868481318	/nfs/dbraw/zinc/48/13/18/868481318.db2.gz	WFZDNIUMZCTWDA-FGTMMUONSA-N	1	0	367.534	1.814	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2cn(C(C)(C)C)nn2)[C@H](C)C1	ZINC001106117310	868593876	/nfs/dbraw/zinc/59/38/76/868593876.db2.gz	KSWQUFCJMDWUKM-HZPDHXFCSA-N	1	0	361.490	1.257	20	30		FDEDRO
CN(C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1	ZINC001033289283	882235680	/nfs/dbraw/zinc/23/56/80/882235680.db2.gz	BYTPOGWQUSKLHH-ZGXWSNOMSA-N	1	0	369.465	1.642	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CC[NH+](CCCCCO)CC1	ZINC000913690068	869424588	/nfs/dbraw/zinc/42/45/88/869424588.db2.gz	PXWMAIZFYNBMLX-UHFFFAOYSA-N	1	0	361.442	1.252	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccc(CC)cc2)C[C@@H]1O	ZINC001083853320	882301615	/nfs/dbraw/zinc/30/16/15/882301615.db2.gz	NSOMJPJKMKVAHA-WOZUAGRISA-N	1	0	372.509	1.934	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)C[NH+](CC)CC)C1	ZINC001060420932	869517364	/nfs/dbraw/zinc/51/73/64/869517364.db2.gz	YGFQFSGLAXUEDB-ZACQAIPSSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N[C@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O	ZINC000913725811	869519660	/nfs/dbraw/zinc/51/96/60/869519660.db2.gz	AWQOTQQXODVZTG-HNNXBMFYSA-N	1	0	367.490	1.333	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1ccc(F)c(Cl)c1)C1CC[NH+](C)CC1	ZINC000929337602	882345307	/nfs/dbraw/zinc/34/53/07/882345307.db2.gz	SYHAEYXREJRLBZ-UHFFFAOYSA-N	1	0	365.836	1.651	20	30		FDEDRO
C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)CC[C@@H]2C1	ZINC000946819151	882361428	/nfs/dbraw/zinc/36/14/28/882361428.db2.gz	UQFROEFSZIKFFN-FCGDIQPGSA-N	1	0	358.486	1.645	20	30		FDEDRO
CN(CCN(C)S(=O)(=O)Cc1csc(C#N)c1)C1CC[NH+](C)CC1	ZINC000913942430	870071973	/nfs/dbraw/zinc/07/19/73/870071973.db2.gz	IMDHMYRZZYSBEB-UHFFFAOYSA-N	1	0	370.544	1.407	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1	ZINC000913957999	870129511	/nfs/dbraw/zinc/12/95/11/870129511.db2.gz	AIJBQVYQTVZBRX-CQSZACIVSA-N	1	0	363.483	1.548	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@H](c2ccc(C)o2)N2CCOCC2)CC1	ZINC000913966091	870145914	/nfs/dbraw/zinc/14/59/14/870145914.db2.gz	VVCUPJVUYINYAF-GOSISDBHSA-N	1	0	374.485	1.358	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000913977005	870189226	/nfs/dbraw/zinc/18/92/26/870189226.db2.gz	DGDUJOFUECARNV-HZPDHXFCSA-N	1	0	350.507	1.271	20	30		FDEDRO
C#CCC1(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CCOCC1	ZINC000925431043	882388770	/nfs/dbraw/zinc/38/87/70/882388770.db2.gz	QWEIOEBGVBSOMN-UHFFFAOYSA-N	1	0	355.482	1.736	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2cccc(C(=O)NCCC)c2)CC1	ZINC000914085802	870695682	/nfs/dbraw/zinc/69/56/82/870695682.db2.gz	SKJOSLUTSVYGNW-UHFFFAOYSA-N	1	0	356.470	1.723	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccnn2C2CCC2)C[C@H]1C	ZINC001106143193	871305878	/nfs/dbraw/zinc/30/58/78/871305878.db2.gz	VQUVOTFOXQAYPB-HUUCEWRRSA-N	1	0	359.474	1.208	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnc3n2[C@@H](C)CCC3)C[C@H]1C	ZINC001106153739	871466184	/nfs/dbraw/zinc/46/61/84/871466184.db2.gz	QUUKZPBJQZYDMS-IXDOHACOSA-N	1	0	358.486	1.728	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@H]1OC	ZINC001212472008	871511069	/nfs/dbraw/zinc/51/10/69/871511069.db2.gz	HXINTSGRQALPIE-KVSKMBFKSA-N	1	0	362.470	1.841	20	30		FDEDRO
C=CCn1c(CCC(C)C)nnc1N1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000282325511	871536587	/nfs/dbraw/zinc/53/65/87/871536587.db2.gz	QLZFXVDWHURTOE-UHFFFAOYSA-N	1	0	362.522	1.653	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)[C@H](C)C1	ZINC001106175633	871580403	/nfs/dbraw/zinc/58/04/03/871580403.db2.gz	OBFVQLBTIVVFPE-NVXWUHKLSA-N	1	0	371.547	1.330	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cnc3cc(C)ccn32)C[C@H]1C	ZINC001106173861	871601823	/nfs/dbraw/zinc/60/18/23/871601823.db2.gz	JJJAHKMJAUMMQM-HZPDHXFCSA-N	1	0	369.469	1.243	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CNC2=O)[C@H](C)C1	ZINC001106176953	871608790	/nfs/dbraw/zinc/60/87/90/871608790.db2.gz	GTUOORNULATKNN-DGCLKSJQSA-N	1	0	370.881	1.001	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2(NC(C)=O)CCCCC2)[C@H](OC)C1	ZINC001212474460	871610966	/nfs/dbraw/zinc/61/09/66/871610966.db2.gz	KCRYPYJXKTXARU-KBAYOESNSA-N	1	0	365.518	1.996	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NCC)[C@H](C)C1	ZINC001106179034	871629197	/nfs/dbraw/zinc/62/91/97/871629197.db2.gz	FVAVDVWSRGXCAO-QLFBSQMISA-N	1	0	366.506	1.507	20	30		FDEDRO
C#CCN(C(=O)NCc1nncn1-c1ccccc1)C1CC[NH+](C)CC1	ZINC000914166931	871657576	/nfs/dbraw/zinc/65/75/76/871657576.db2.gz	WZFBPIKPANBPPA-UHFFFAOYSA-N	1	0	352.442	1.506	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2cn3cccc(C)c3n2)CC1	ZINC000672766085	871700455	/nfs/dbraw/zinc/70/04/55/871700455.db2.gz	XIZJVXPPPVZGJF-UHFFFAOYSA-N	1	0	369.469	1.068	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@]3(C)C2)C1	ZINC000992742387	871747178	/nfs/dbraw/zinc/74/71/78/871747178.db2.gz	YZJKPYKMCYKTSU-NBQZKYEYSA-N	1	0	369.469	1.149	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H](C)[C@H]2CCCN(C(=O)OCC)C2)CC1	ZINC000922069557	871789420	/nfs/dbraw/zinc/78/94/20/871789420.db2.gz	YDEOWLZXUAHREA-CVEARBPZSA-N	1	0	364.490	1.640	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2C2CCC2)[C@H](OC)C1	ZINC001212481183	871904605	/nfs/dbraw/zinc/90/46/05/871904605.db2.gz	FOQXTNMDQIHFGL-IAGOWNOFSA-N	1	0	362.474	1.319	20	30		FDEDRO
COC(=O)c1cn(CC[NH2+]Cc2cc(C#N)ccc2Br)nn1	ZINC000922113031	872119463	/nfs/dbraw/zinc/11/94/63/872119463.db2.gz	IWSYGIDTYLZZGR-UHFFFAOYSA-N	1	0	364.203	1.489	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)c2c(C)n[nH]c2C)[C@H](OC)C1	ZINC001212489418	872266154	/nfs/dbraw/zinc/26/61/54/872266154.db2.gz	ODYGLMURVJMUOF-IAOVAPTHSA-N	1	0	364.490	1.538	20	30		FDEDRO
CC[C@@H](C(=O)N1C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@]2(C)C1)[NH+](C)C	ZINC000992807298	872402041	/nfs/dbraw/zinc/40/20/41/872402041.db2.gz	FPUAGRVHZCZKSR-IYJAJMOOSA-N	1	0	357.458	1.147	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@]3(C)C2)C1	ZINC000992810768	872450335	/nfs/dbraw/zinc/45/03/35/872450335.db2.gz	ZBGLPYIISBBFCF-MDOVXXIYSA-N	1	0	369.469	1.149	20	30		FDEDRO
N#CCc1cccc(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)n1	ZINC000922150777	872508755	/nfs/dbraw/zinc/50/87/55/872508755.db2.gz	DPWSHWIWSRBKSG-UHFFFAOYSA-N	1	0	350.426	1.693	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc3nnc(C)n3c2)[C@H](OC)C1	ZINC001212496046	872520929	/nfs/dbraw/zinc/52/09/29/872520929.db2.gz	WJUJKTGXBMRGSO-KBRIMQKVSA-N	1	0	357.458	1.821	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2cc(C)no2)[C@@H](n2ccnn2)C1	ZINC001128677404	882632343	/nfs/dbraw/zinc/63/23/43/882632343.db2.gz	LKNKKLFUFDMXHM-CVEARBPZSA-N	1	0	358.446	1.976	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)Cc2csc(C#N)c2)C[C@@H]1[NH+]1CCCC1	ZINC000914391121	872700658	/nfs/dbraw/zinc/70/06/58/872700658.db2.gz	RBZMQNKJJUZDRO-GJZGRUSLSA-N	1	0	371.553	1.961	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnc3cccnn31)C2	ZINC001112541542	872746266	/nfs/dbraw/zinc/74/62/66/872746266.db2.gz	BYECFEMNGWMXMZ-JXFKEZNVSA-N	1	0	369.469	1.764	20	30		FDEDRO
COc1ccc(C#N)cc1CN1C[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@@H](O)C1	ZINC001083714416	872808404	/nfs/dbraw/zinc/80/84/04/872808404.db2.gz	PEGWDZIFGPPHGH-WBOSRHFRSA-N	1	0	355.438	1.274	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn(CC=C)nn1)C2	ZINC001112541633	872836377	/nfs/dbraw/zinc/83/63/77/872836377.db2.gz	HFMKDQMNOFWICU-LPHOPBHVSA-N	1	0	359.474	1.499	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(C#N)c[nH]1	ZINC001003355156	873188260	/nfs/dbraw/zinc/18/82/60/873188260.db2.gz	LRFRVMJVHBIKAK-LMSBXDPUSA-N	1	0	369.469	1.622	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@]2(C)C=CCC2)CC1	ZINC001003362593	873215308	/nfs/dbraw/zinc/21/53/08/873215308.db2.gz	BOXOZSIXFMQPIL-IWQHBPENSA-N	1	0	369.509	1.936	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC2(C)C)CC1	ZINC001003362956	873215831	/nfs/dbraw/zinc/21/58/31/873215831.db2.gz	IYEOROZBAJKMDY-XDNAFOTISA-N	1	0	357.498	1.626	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC(OC)C2)CC1	ZINC001003366671	873245766	/nfs/dbraw/zinc/24/57/66/873245766.db2.gz	XPYRUBOODPGOBZ-MYZTUTKLSA-N	1	0	373.497	1.005	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@@H]2CCOC2)[C@H](C)C1	ZINC001106190486	873248855	/nfs/dbraw/zinc/24/88/55/873248855.db2.gz	LXPUFPQZNKAHFX-IXDOHACOSA-N	1	0	351.491	1.180	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCC(=C)C)C[C@H]1C	ZINC001106193561	873273332	/nfs/dbraw/zinc/27/33/32/873273332.db2.gz	MCKQVAZUWFSZQK-HUUCEWRRSA-N	1	0	350.463	1.039	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NCCC)[C@H](C)C1	ZINC001106193739	873274354	/nfs/dbraw/zinc/27/43/54/873274354.db2.gz	RZLRQXTZTIQSDW-HUUCEWRRSA-N	1	0	352.479	1.263	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](C[NH2+]Cc2cnnn2CC)[C@H](C)C1)OCC	ZINC001106197297	873456667	/nfs/dbraw/zinc/45/66/67/873456667.db2.gz	PFZXNYPLZKOVCC-JFIYKMOQSA-N	1	0	363.506	1.853	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cc(Br)n[nH]2)C[C@H]1C	ZINC001106198965	873614865	/nfs/dbraw/zinc/61/48/65/873614865.db2.gz	UVKHJRTWKLNRMB-VXGBXAGGSA-N	1	0	371.279	1.673	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@]2(C)C1	ZINC000993014524	873681675	/nfs/dbraw/zinc/68/16/75/873681675.db2.gz	GKJOVWOLPLTURZ-FPDPHYFHSA-N	1	0	368.481	1.828	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)[C@H](C)CC)C[C@@]3(C)C2)CC1	ZINC000993017409	873692095	/nfs/dbraw/zinc/69/20/95/873692095.db2.gz	DMRAAQDZJBBIBQ-BLIXFSHQSA-N	1	0	359.514	1.685	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCCC2CCOCC2)C[C@H]1C	ZINC001106213993	873821721	/nfs/dbraw/zinc/82/17/21/873821721.db2.gz	TXZDSMPEDXFGED-IEBWSBKVSA-N	1	0	350.503	1.917	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cn(-c3cccnc3)nn2)C[C@H]1C	ZINC001106219206	873932258	/nfs/dbraw/zinc/93/22/58/873932258.db2.gz	AZPRYDOVAUZEGV-HZPDHXFCSA-N	1	0	370.457	1.163	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2[nH]ccc2C2CC2)C[C@H]1C	ZINC001106229341	874003970	/nfs/dbraw/zinc/00/39/70/874003970.db2.gz	RHHAHUOKZLCZMT-IIAWOOMASA-N	1	0	356.470	1.328	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCc3ccco3)[C@H](C)C2)CCC1	ZINC001106236277	874061311	/nfs/dbraw/zinc/06/13/11/874061311.db2.gz	IQHZEJAWNYZHGG-IAGOWNOFSA-N	1	0	371.481	1.774	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC[NH+]([C@@H]2CCCN(C)C2=O)CC1	ZINC001003763649	874191857	/nfs/dbraw/zinc/19/18/57/874191857.db2.gz	QFHBFYQSIJDFPT-KSZLIROESA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc(CC)n2)C[C@H]1C	ZINC001106259636	874202230	/nfs/dbraw/zinc/20/22/30/874202230.db2.gz	UOSOQIYKVWBSKK-BZUAXINKSA-N	1	0	356.470	1.080	20	30		FDEDRO
CCc1[nH]nc(C(=O)N2C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C2)c1Cl	ZINC001106263529	874238050	/nfs/dbraw/zinc/23/80/50/874238050.db2.gz	DUNZWUFSOYRUCN-CHWSQXEVSA-N	1	0	352.866	1.573	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(Cc3ccccc3)CC2)C[C@H]1C	ZINC001106263693	874240394	/nfs/dbraw/zinc/24/03/94/874240394.db2.gz	HNSYDRXLVXEENT-IEBWSBKVSA-N	1	0	367.493	1.443	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)COCc2cc[nH]c(=O)c2)C[C@H]1C	ZINC001106316254	874759167	/nfs/dbraw/zinc/75/91/67/874759167.db2.gz	LRLUEVANMJMVEY-NVXWUHKLSA-N	1	0	363.458	1.191	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C[NH2+][C@@H](CC)C(N)=O)[C@H](C)C1	ZINC001106330953	874803504	/nfs/dbraw/zinc/80/35/04/874803504.db2.gz	JGIQQRYFYAPDGJ-INMHGKMJSA-N	1	0	359.470	1.813	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC2CC(F)(F)C2)C[C@H]1C	ZINC001106336401	874811554	/nfs/dbraw/zinc/81/15/54/874811554.db2.gz	MGHLCXSIGUKXAC-UMVBOHGHSA-N	1	0	357.445	1.797	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001106356580	874891502	/nfs/dbraw/zinc/89/15/02/874891502.db2.gz	GHVJZHCWKCIKGO-IUODEOHRSA-N	1	0	364.396	1.124	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106356782	874891912	/nfs/dbraw/zinc/89/19/12/874891912.db2.gz	NGHLVWZEHXBBJW-BPQIPLTHSA-N	1	0	371.456	1.388	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106357173	874892892	/nfs/dbraw/zinc/89/28/92/874892892.db2.gz	VWFRDBCVEXQTNY-BHIYHBOVSA-N	1	0	353.466	1.248	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2coc(-c3ccccn3)n2)C[C@H]1C	ZINC001106372947	874976912	/nfs/dbraw/zinc/97/69/12/874976912.db2.gz	UAHCJHNPXWWANP-HZPDHXFCSA-N	1	0	368.437	1.684	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c3ccccc32)C[C@H]1C	ZINC001106384216	875005682	/nfs/dbraw/zinc/00/56/82/875005682.db2.gz	DMBBMFUAWPKZBS-HUUCEWRRSA-N	1	0	354.454	1.768	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c3ccccc32)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106384905	875006874	/nfs/dbraw/zinc/00/68/74/875006874.db2.gz	WYIZEJZGSMWUDS-ZIAGYGMSSA-N	1	0	353.426	1.105	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2ccc(F)cc2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106383867	875019406	/nfs/dbraw/zinc/01/94/06/875019406.db2.gz	LDWRCFDLXXQEEO-GDBMZVCRSA-N	1	0	360.433	1.082	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCCNC(N)=O)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001106387834	875032237	/nfs/dbraw/zinc/03/22/37/875032237.db2.gz	WROIZKHMWZAALA-CRAIPNDOSA-N	1	0	371.485	1.581	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCCNC(N)=O)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001106389837	875046141	/nfs/dbraw/zinc/04/61/41/875046141.db2.gz	YDBYCDZPFGTPOD-CRAIPNDOSA-N	1	0	371.485	1.581	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(c3ccccc3)CCC2)C[C@H]1C	ZINC001106396346	875070678	/nfs/dbraw/zinc/07/06/78/875070678.db2.gz	MXKZCTNEKYCPLT-QZTJIDSGSA-N	1	0	367.493	1.542	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(COC)o2)C[C@H]1C	ZINC001106399892	875094590	/nfs/dbraw/zinc/09/45/90/875094590.db2.gz	XKKQIDNAGMHFRA-RBSFLKMASA-N	1	0	363.458	1.414	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3[nH]nc(C)c3c2)C[C@H]1C	ZINC001106408209	875137813	/nfs/dbraw/zinc/13/78/13/875137813.db2.gz	VDJHUIPBVYBRRG-CZUORRHYSA-N	1	0	369.469	1.471	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)ccc2=O)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106407148	875152651	/nfs/dbraw/zinc/15/26/51/875152651.db2.gz	ZUZWSDLNZQOEQJ-IEBWSBKVSA-N	1	0	363.461	1.735	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2nc(C)n3ccccc23)C[C@H]1C	ZINC001106422248	875220804	/nfs/dbraw/zinc/22/08/04/875220804.db2.gz	SKWYRKUIWUXUOF-NVXWUHKLSA-N	1	0	354.454	1.590	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc3ncccc3o2)C[C@H]1C	ZINC001106440431	875308533	/nfs/dbraw/zinc/30/85/33/875308533.db2.gz	HBCMKWUVZCQAJT-QLFBSQMISA-N	1	0	370.453	1.816	20	30		FDEDRO
CCCC[C@H](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106450754	875359504	/nfs/dbraw/zinc/35/95/04/875359504.db2.gz	WLSRXLLDOHPMOY-IXDOHACOSA-N	1	0	350.507	1.917	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CC(C)(C)COC)C[C@H]2C)C1=O	ZINC001106471987	875550174	/nfs/dbraw/zinc/55/01/74/875550174.db2.gz	NQFJYAKETASRGH-BRWVUGGUSA-N	1	0	365.518	1.520	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106474133	875570253	/nfs/dbraw/zinc/57/02/53/875570253.db2.gz	HBLXABDQSCMCLV-CRAIPNDOSA-N	1	0	365.433	1.728	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]CCNC(=O)C2CC2)[C@H](C)C1	ZINC001106486314	875640835	/nfs/dbraw/zinc/64/08/35/875640835.db2.gz	OJKIZTFRUWEPTM-MDYRTPRTSA-N	1	0	365.518	1.426	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)CCc2nc(C)no2)C[C@H]1C	ZINC001106502039	875729429	/nfs/dbraw/zinc/72/94/29/875729429.db2.gz	NREYSLRQQFYDMX-ZWNOBZJWSA-N	1	0	371.279	1.903	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCCOCC)[C@H](C)C2)cc1	ZINC001106511435	875760176	/nfs/dbraw/zinc/76/01/76/875760176.db2.gz	IDZPFALZKJVXKH-VQIMIIECSA-N	1	0	371.481	1.118	20	30		FDEDRO
COc1ccc([C@H](O)C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)cc1	ZINC000915225942	875792058	/nfs/dbraw/zinc/79/20/58/875792058.db2.gz	GXLAZRRUKTVULX-FXAWDEMLSA-N	1	0	356.422	1.824	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cnccn2)[C@H](C)C1	ZINC001106517453	875812122	/nfs/dbraw/zinc/81/21/22/875812122.db2.gz	FVKSOFVDQQPNOG-HUUCEWRRSA-N	1	0	359.474	1.702	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(F)(F)F)[C@H](C)C1	ZINC001106564208	875964623	/nfs/dbraw/zinc/96/46/23/875964623.db2.gz	VAZXWUDINCYGJD-MGPQQGTHSA-N	1	0	363.424	1.951	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](C[NH2+]CCN2CCCS2(=O)=O)[C@H](C)C1	ZINC001106567295	875976106	/nfs/dbraw/zinc/97/61/06/875976106.db2.gz	CLVXICPQKLKKFD-BRWVUGGUSA-N	1	0	371.547	1.308	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](C[NH2+]CCOCCNC(C)=O)[C@H](C)C1	ZINC001106567273	875976287	/nfs/dbraw/zinc/97/62/87/875976287.db2.gz	BSXIKHNJQFMBBE-KBAYOESNSA-N	1	0	353.507	1.426	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C=C)CC)C[C@H]1C	ZINC001106567450	875976337	/nfs/dbraw/zinc/97/63/37/875976337.db2.gz	GNOCGOCQQWSDCV-OWCLPIDISA-N	1	0	364.490	1.285	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc[nH]c2CCC)C[C@H]1C	ZINC001106569396	875982157	/nfs/dbraw/zinc/98/21/57/875982157.db2.gz	IDSWFTUEZNDGLP-BZUAXINKSA-N	1	0	360.502	1.956	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCc3cccnc32)C[C@H]1C	ZINC001106571355	875985230	/nfs/dbraw/zinc/98/52/30/875985230.db2.gz	WKIFRURFWVHXIF-BHIYHBOVSA-N	1	0	355.482	1.835	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]c3cnccc23)C[C@H]1C	ZINC001106577531	876016767	/nfs/dbraw/zinc/01/67/67/876016767.db2.gz	LQGQSYCBQAIUSQ-NVXWUHKLSA-N	1	0	354.454	1.439	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3n[nH]cc3c2)C[C@H]1C	ZINC001106590878	876056439	/nfs/dbraw/zinc/05/64/39/876056439.db2.gz	CJVWGUSWGPBXLI-CZUORRHYSA-N	1	0	355.442	1.163	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3cnc(C)n3C2)C[C@H]1C	ZINC001106591140	876060222	/nfs/dbraw/zinc/06/02/22/876060222.db2.gz	OYQPOBDFRCBLEH-KBAYOESNSA-N	1	0	360.502	1.641	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC(C)(C)C)[C@H](C)C1	ZINC001106612501	876198808	/nfs/dbraw/zinc/19/88/08/876198808.db2.gz	ZFOKAEUNVBVXKO-HUUCEWRRSA-N	1	0	366.506	1.651	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCc2ccccc2)C[C@H]1C	ZINC001106618174	876233391	/nfs/dbraw/zinc/23/33/91/876233391.db2.gz	FZFPZJHQUJILQL-IEBWSBKVSA-N	1	0	357.498	1.996	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](C[NH2+]CCOCCNC(C)=O)[C@H](C)C1	ZINC001106627920	876269669	/nfs/dbraw/zinc/26/96/69/876269669.db2.gz	AJBRMLFLVLIGEQ-SUMDDJOVSA-N	1	0	353.507	1.426	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H](C[NH2+]Cc3nnnn3C3CC3)[C@H](C)C2)CC1	ZINC001106633597	876284210	/nfs/dbraw/zinc/28/42/10/876284210.db2.gz	OIDHCIODGNHMKC-HUUCEWRRSA-N	1	0	358.490	1.939	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(=O)cc2C)C[C@H]1C	ZINC001106655998	876420876	/nfs/dbraw/zinc/42/08/76/876420876.db2.gz	KTHVKRSHSBPEQT-RBSFLKMASA-N	1	0	360.458	1.084	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(-n3cccn3)n2)C[C@H]1C	ZINC001106658987	876447146	/nfs/dbraw/zinc/44/71/46/876447146.db2.gz	RZXSOXZXUPDNKP-IAGOWNOFSA-N	1	0	367.453	1.215	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc(OC)c2C)C[C@H]1C	ZINC001106704958	876880608	/nfs/dbraw/zinc/88/06/08/876880608.db2.gz	KYCBFPSPIAEEES-HYVNUMGLSA-N	1	0	371.481	1.439	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCO[C@H](C)C2)[C@H](C)C1	ZINC001106711049	876900425	/nfs/dbraw/zinc/90/04/25/876900425.db2.gz	JCPKAUQETNJCJN-BRWVUGGUSA-N	1	0	365.518	1.520	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C[C@H]1C	ZINC001106708994	876918985	/nfs/dbraw/zinc/91/89/85/876918985.db2.gz	QDQVAKAQQJPXIA-UKRRQHHQSA-N	1	0	358.442	1.769	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3cc(F)ccc3o2)C[C@H]1C	ZINC001106715598	876934359	/nfs/dbraw/zinc/93/43/59/876934359.db2.gz	GBBNTOGKTMDAHY-UKRRQHHQSA-N	1	0	371.412	1.619	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnc(C)nc2C(C)C)C[C@H]1C	ZINC001106728737	877064978	/nfs/dbraw/zinc/06/49/78/877064978.db2.gz	PEXULWYLNNOPBD-NVXWUHKLSA-N	1	0	358.486	1.856	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC[NH+](CCN2CCCC2=O)CC1	ZINC001003767182	877166478	/nfs/dbraw/zinc/16/64/78/877166478.db2.gz	XQCZDEQZLWNDKX-HKUYNNGSSA-N	1	0	363.502	1.561	20	30		FDEDRO
Cc1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)ccc2c[nH+]cn21	ZINC001003807785	877276073	/nfs/dbraw/zinc/27/60/73/877276073.db2.gz	HPINDWMRQIFFPM-LZQZEXGQSA-N	1	0	362.433	1.918	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]CCOC(C)C)[C@H](C)C1	ZINC001106734306	877281373	/nfs/dbraw/zinc/28/13/73/877281373.db2.gz	VREDWDGMLXZIHQ-NXHRZFHOSA-N	1	0	353.507	1.566	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CC[C@]2(C1)CN(Cc1ccccc1)C(=O)CO2	ZINC000922288594	877347906	/nfs/dbraw/zinc/34/79/06/877347906.db2.gz	VDXBSUUUANMRGQ-NRFANRHFSA-N	1	0	371.481	1.524	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2cnn3ncccc23)[C@H](OC)C1	ZINC001212416335	912229859	/nfs/dbraw/zinc/22/98/59/912229859.db2.gz	JKLZNWUDAXJJSI-SJLPKXTDSA-N	1	0	357.458	1.905	20	30		FDEDRO
Cc1onc(CC(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)c1C#N	ZINC000499745748	877423214	/nfs/dbraw/zinc/42/32/14/877423214.db2.gz	WFLORTCPUVGPCN-AWEZNQCLSA-N	1	0	368.437	1.934	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)Cc2c(CC)noc2CC)[C@H](OC)C1	ZINC001212416512	912233170	/nfs/dbraw/zinc/23/31/70/912233170.db2.gz	NTFBFQIZOREVBI-SJLPKXTDSA-N	1	0	365.474	1.360	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cnn3ccncc23)C[C@H]1C(F)(F)F	ZINC001099262797	877511058	/nfs/dbraw/zinc/51/10/58/877511058.db2.gz	KDNLLASOEKHBAK-CHWSQXEVSA-N	1	0	353.348	1.898	20	30		FDEDRO
Cc1c(C(=O)N2C[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@]3(C)C2)ccc2c[nH+]cn21	ZINC000993357521	877526651	/nfs/dbraw/zinc/52/66/51/877526651.db2.gz	ZGOAYZPEYFTCAF-IAMHBRQHSA-N	1	0	365.437	1.723	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2C)C[C@H]1C	ZINC001106751338	877532433	/nfs/dbraw/zinc/53/24/33/877532433.db2.gz	FNVCKCXJJMEZAL-IZBJGVDFSA-N	1	0	367.493	1.532	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)ccc1F	ZINC000922345745	877823284	/nfs/dbraw/zinc/82/32/84/877823284.db2.gz	OMUQFHLEGYIBFR-QGZVFWFLSA-N	1	0	360.433	1.224	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)CC1	ZINC000922345810	877823703	/nfs/dbraw/zinc/82/37/03/877823703.db2.gz	PMBUZVCWJVUPHL-APWZRJJASA-N	1	0	368.481	1.573	20	30		FDEDRO
CON=Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)cc1	ZINC000922350666	877833942	/nfs/dbraw/zinc/83/39/42/877833942.db2.gz	OFFXJWDLEODNKQ-LJQANCHMSA-N	1	0	374.485	1.193	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccnc(C)c2)C[C@H]1C	ZINC001106785656	877906106	/nfs/dbraw/zinc/90/61/06/877906106.db2.gz	WVLFAPKTLXRULW-CRAIPNDOSA-N	1	0	371.485	1.450	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106799132	878014513	/nfs/dbraw/zinc/01/45/13/878014513.db2.gz	CNDNOMOKFFHVHA-NVXWUHKLSA-N	1	0	354.429	1.827	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@]2(C)CCOC2)C[C@H]1C	ZINC001106800829	878014745	/nfs/dbraw/zinc/01/47/45/878014745.db2.gz	LPBSGCHGLSECFP-MBOZVWFJSA-N	1	0	363.502	1.298	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106811732	878185982	/nfs/dbraw/zinc/18/59/82/878185982.db2.gz	QGLGYTXRZVRTJH-VQIMIIECSA-N	1	0	353.466	1.248	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2cn(CC)nn2)C[C@H]1C	ZINC001106812790	878207367	/nfs/dbraw/zinc/20/73/67/878207367.db2.gz	GBSJYJBGJPEWDS-ZYHUDNBSSA-N	1	0	356.268	1.504	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)cc1	ZINC000763239053	878274747	/nfs/dbraw/zinc/27/47/47/878274747.db2.gz	DZRXQMYAPUQQPR-FQEVSTJZSA-N	1	0	365.433	1.854	20	30		FDEDRO
COc1cc(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)ccc1C#N	ZINC000922528332	878490818	/nfs/dbraw/zinc/49/08/18/878490818.db2.gz	GVDBUAWNOXBYOE-KRWDZBQOSA-N	1	0	358.442	1.619	20	30		FDEDRO
N#Cc1ccc(N[C@@H]2CCCN(C(=O)NCC[N@@H+]3CCCOCC3)C2)nc1	ZINC000922608594	878770955	/nfs/dbraw/zinc/77/09/55/878770955.db2.gz	WAPUERWDUXZENS-QGZVFWFLSA-N	1	0	372.473	1.261	20	30		FDEDRO
CC#CCCNC(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1	ZINC000499957035	878779107	/nfs/dbraw/zinc/77/91/07/878779107.db2.gz	ODTGKNZHIBPKQK-UHFFFAOYSA-N	1	0	358.442	1.435	20	30		FDEDRO
C=C(C)COc1cc(C[NH2+]C[C@@]2(OC)CCS(=O)(=O)C2)ccc1OC	ZINC000922616766	878793826	/nfs/dbraw/zinc/79/38/26/878793826.db2.gz	RTQQBAVLMIFFHB-SFHVURJKSA-N	1	0	369.483	1.943	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)C(C)C	ZINC000428914579	878824981	/nfs/dbraw/zinc/82/49/81/878824981.db2.gz	MSRLHCWRCKCAQB-XWTMOSNGSA-N	1	0	362.518	1.994	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)c3ccc[nH]3)[C@H](C)C2)CC1	ZINC000993752032	879410724	/nfs/dbraw/zinc/41/07/24/879410724.db2.gz	IJQCNWMSRPKKEV-NVXWUHKLSA-N	1	0	356.470	1.184	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3cnc4ccc(C)cc43)[C@H]2C1	ZINC001083173911	912478116	/nfs/dbraw/zinc/47/81/16/912478116.db2.gz	JANLWPUTHFLGBB-RBUKOAKNSA-N	1	0	354.454	1.832	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@H]2OC)C1	ZINC000946618381	879699357	/nfs/dbraw/zinc/69/93/57/879699357.db2.gz	VHGUXVXQGMVMQC-GVDBMIGSSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1	ZINC001004547179	879847424	/nfs/dbraw/zinc/84/74/24/879847424.db2.gz	MNGFEHYFGFITPH-FGTMMUONSA-N	1	0	363.502	1.689	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3c3ccco3)C2)CC1	ZINC000993855231	879920539	/nfs/dbraw/zinc/92/05/39/879920539.db2.gz	MSOMVPIGHGTUGW-IAGOWNOFSA-N	1	0	355.438	1.055	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C[C@H]2OC)C1	ZINC000946632888	879920846	/nfs/dbraw/zinc/92/08/46/879920846.db2.gz	VPMQKJWUGRJIHJ-QINHECLXSA-N	1	0	361.486	1.171	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)[C@H]3[C@@H]4CCC[C@@H]43)[C@H](C)C2)CC1	ZINC000993872118	879926206	/nfs/dbraw/zinc/92/62/06/879926206.db2.gz	OTEVVJDHAOGZBU-XLSIIYIISA-N	1	0	371.525	1.588	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)cc(C)c3)C[C@@H]2O)nn1	ZINC001083843114	879949223	/nfs/dbraw/zinc/94/92/23/879949223.db2.gz	SGDPNRHAJONQLQ-AEFFLSMTSA-N	1	0	355.442	1.056	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)CC[N@@H+]1C	ZINC000993917140	880141476	/nfs/dbraw/zinc/14/14/76/880141476.db2.gz	BKCAOPDAVYZMTR-GKLJAUDBSA-N	1	0	357.458	1.051	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCn2cncn2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001106842572	880668239	/nfs/dbraw/zinc/66/82/39/880668239.db2.gz	RIFYEUYZFYSIKS-VQIMIIECSA-N	1	0	366.469	1.814	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C)(C)Cc2ccccc2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106842672	880670657	/nfs/dbraw/zinc/67/06/57/880670657.db2.gz	XHTGLMFEGQVCQS-SJLPKXTDSA-N	1	0	370.497	1.579	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)[C@H]3CC=CCC3)C[C@H]2C)CC1	ZINC000994135043	880691976	/nfs/dbraw/zinc/69/19/76/880691976.db2.gz	HNURWWOKSASLOZ-YZGWKJHDSA-N	1	0	371.525	1.899	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C	ZINC000994160701	880862049	/nfs/dbraw/zinc/86/20/49/880862049.db2.gz	GAISZKAKERFSJN-JFIYKMOQSA-N	1	0	358.486	1.593	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)c3cccnc3)C[C@H]2C)CC1	ZINC000994135769	880893243	/nfs/dbraw/zinc/89/32/43/880893243.db2.gz	LCHLVLJKIHVNEQ-VQIMIIECSA-N	1	0	368.481	1.251	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)C=C3CCC3)C[C@H]2C)CC1	ZINC000994137810	880900016	/nfs/dbraw/zinc/90/00/16/880900016.db2.gz	WOQZHOOWYUCRNC-VQIMIIECSA-N	1	0	357.498	1.653	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CC)C[C@H]1C	ZINC001106848263	881067670	/nfs/dbraw/zinc/06/76/70/881067670.db2.gz	BINMCYNCOAYZCH-BRWVUGGUSA-N	1	0	351.491	1.274	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC(=O)NCC2CC2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001106855933	881116739	/nfs/dbraw/zinc/11/67/39/881116739.db2.gz	YBNOORZKUAWMRI-DNVCBOLYSA-N	1	0	368.481	1.659	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)CCC(=O)NCCCOC)C[C@H]1C	ZINC001106860302	881177926	/nfs/dbraw/zinc/17/79/26/881177926.db2.gz	SITPRXRSZJOBLB-IAGOWNOFSA-N	1	0	353.507	1.570	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](C(C)C)[NH+](C)C)nc1	ZINC001004742218	881188836	/nfs/dbraw/zinc/18/88/36/881188836.db2.gz	LSMANRFVLUSLLA-OQIJWPOYSA-N	1	0	368.481	1.511	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@H+]2CCC[C@H]2C)cn1	ZINC001004743717	881194598	/nfs/dbraw/zinc/19/45/98/881194598.db2.gz	XKHXYDFTIOMRPA-AXUOBQJMSA-N	1	0	366.465	1.409	20	30		FDEDRO
Cc1c(C(=O)NC[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)ccc2c[nH+]cn21	ZINC000994238610	881211321	/nfs/dbraw/zinc/21/13/21/881211321.db2.gz	SLROUHOPJLXUDI-RHSMWYFYSA-N	1	0	364.449	1.880	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]nc2C(C)(C)C)C[C@H]1C	ZINC001106862032	881264334	/nfs/dbraw/zinc/26/43/34/881264334.db2.gz	OQHDJVQQQREVNS-ZIAGYGMSSA-N	1	0	361.490	1.307	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N(C)C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1	ZINC001005406129	883239508	/nfs/dbraw/zinc/23/95/08/883239508.db2.gz	JWSBRYKIDJECON-DNVCBOLYSA-N	1	0	368.481	1.896	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(C)n(C)n2)[C@@H](n2ccnn2)C1	ZINC001128759535	883256673	/nfs/dbraw/zinc/25/66/73/883256673.db2.gz	YFVKQRLQFPQGIY-XYPHTWIQSA-N	1	0	357.462	1.330	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(Cc3cc(C#N)ccc3OC)C[C@@H]2O)C1	ZINC001083756512	883315078	/nfs/dbraw/zinc/31/50/78/883315078.db2.gz	XMVGFRCNQZPOJS-SJORKVTESA-N	1	0	355.438	1.584	20	30		FDEDRO
C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)NC1CCN(CC#N)CC1	ZINC000917308463	883315512	/nfs/dbraw/zinc/31/55/12/883315512.db2.gz	SLLBJWZTPPYLIW-KRWDZBQOSA-N	1	0	363.506	1.259	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1	ZINC000154398344	883415161	/nfs/dbraw/zinc/41/51/61/883415161.db2.gz	MPUXWSPRZFNJOB-QGZVFWFLSA-N	1	0	357.454	1.970	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](CC2CC3(CCC3)C2)C[C@@H]1O	ZINC001083998740	912722353	/nfs/dbraw/zinc/72/23/53/912722353.db2.gz	LGXWGHOZASMQNG-UXHICEINSA-N	1	0	352.478	1.952	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cc1	ZINC000658123109	883556303	/nfs/dbraw/zinc/55/63/03/883556303.db2.gz	IASHDFNANIRWQE-INIZCTEOSA-N	1	0	372.469	1.530	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCCCCF)C[C@@H]1n1ccnn1	ZINC001128784255	883599712	/nfs/dbraw/zinc/59/97/12/883599712.db2.gz	AEKONMSDOKREFR-ZACQAIPSSA-N	1	0	367.469	1.741	20	30		FDEDRO
Cc1ccc(CNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1C#N	ZINC000917678675	883681902	/nfs/dbraw/zinc/68/19/02/883681902.db2.gz	ZMVCSSITJGOONW-UHFFFAOYSA-N	1	0	371.485	1.609	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+]([C@H](CC)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001128811937	883699825	/nfs/dbraw/zinc/69/98/25/883699825.db2.gz	JIWKONVZSJEZDC-QRVBRYPASA-N	1	0	369.469	1.974	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001128811887	883701075	/nfs/dbraw/zinc/70/10/75/883701075.db2.gz	HSEGCTLYMFWKDQ-QRQLOZEOSA-N	1	0	369.469	1.892	20	30		FDEDRO
C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000245382425	883776273	/nfs/dbraw/zinc/77/62/73/883776273.db2.gz	JBKPOEWGNIFJLN-XHSDSOJGSA-N	1	0	356.470	1.771	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccc3nonc3c2)C1	ZINC000999429150	912754307	/nfs/dbraw/zinc/75/43/07/912754307.db2.gz	XIFFNWJDWAIFBG-HNFMNYKYSA-N	1	0	356.426	1.893	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCc2ccnn2C)C1	ZINC001034213395	883940752	/nfs/dbraw/zinc/94/07/52/883940752.db2.gz	UMQAFOPZORERRA-UHOSZYNNSA-N	1	0	360.502	1.915	20	30		FDEDRO
CC/C=C/CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](n2ccnn2)C1	ZINC001128891662	883969483	/nfs/dbraw/zinc/96/94/83/883969483.db2.gz	LRQAXMDBMJVOLL-YRLOJYSSSA-N	1	0	353.430	1.489	20	30		FDEDRO
CO[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1NC(=O)C#CC(C)C	ZINC001212231266	884056691	/nfs/dbraw/zinc/05/66/91/884056691.db2.gz	SHEHDXMKNUFCMY-WOJBJXKFSA-N	1	0	366.465	1.847	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](OCC)C2CC2)C[C@@H]1n1ccnn1	ZINC001128938885	884154452	/nfs/dbraw/zinc/15/44/52/884154452.db2.gz	CFKITWGYWRFKPL-SQNIBIBYSA-N	1	0	359.474	1.238	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@@H]1n1ccnn1	ZINC001128939430	884183407	/nfs/dbraw/zinc/18/34/07/884183407.db2.gz	QQGYGGADAKIOLI-ZACQAIPSSA-N	1	0	359.474	1.238	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nn2)[C@@H](n2ccnn2)C1	ZINC001128948896	884353127	/nfs/dbraw/zinc/35/31/27/884353127.db2.gz	FOVPYSQMHNEESJ-ZBFHGGJFSA-N	1	0	360.466	1.032	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC(CC[NH2+][C@H]2CCNC2=O)CC1	ZINC001034571997	884494672	/nfs/dbraw/zinc/49/46/72/884494672.db2.gz	BLHXDRGPZNYOTE-BZSNNMDCSA-N	1	0	363.502	1.465	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N(C)C2CC[NH+](Cc3cccc(C#N)c3)CC2)O1	ZINC001005577059	884684231	/nfs/dbraw/zinc/68/42/31/884684231.db2.gz	ZCVSCCRUOGLORC-OXQOHEQNSA-N	1	0	370.497	1.700	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)n1	ZINC000245976657	884761485	/nfs/dbraw/zinc/76/14/85/884761485.db2.gz	GIHWAHCDOJYILR-KBPBESRZSA-N	1	0	360.462	1.511	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)n1	ZINC000245976658	884762704	/nfs/dbraw/zinc/76/27/04/884762704.db2.gz	GIHWAHCDOJYILR-KGLIPLIRSA-N	1	0	360.462	1.511	20	30		FDEDRO
Cc1onc(CC(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)c1C#N	ZINC000498524436	885144661	/nfs/dbraw/zinc/14/46/61/885144661.db2.gz	GGRJRDCXAZZCDT-UHFFFAOYSA-N	1	0	353.426	1.783	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCOc2ccccc21)N1CCN(c2ncccn2)CC1	ZINC000262809634	885227422	/nfs/dbraw/zinc/22/74/22/885227422.db2.gz	UUAINVDNBOKWOY-MRXNPFEDSA-N	1	0	366.469	1.740	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccnn2CCC)[C@@H](n2ccnn2)C1	ZINC001129019892	885247661	/nfs/dbraw/zinc/24/76/61/885247661.db2.gz	DBLFMUSCJBXPKP-WBVHZDCISA-N	1	0	357.462	1.506	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1CN([C@H](C)c2cnc(C)cn2)C[C@@H]1n1ccnn1	ZINC001129025534	885283583	/nfs/dbraw/zinc/28/35/83/885283583.db2.gz	LQRVBQDCOXOIFQ-NXHRZFHOSA-N	1	0	369.473	1.836	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cn3c(n2)CCCC3)[C@@H](n2ccnn2)C1	ZINC001129025881	885287356	/nfs/dbraw/zinc/28/73/56/885287356.db2.gz	UCNIMWZSFFBMTR-WBVHZDCISA-N	1	0	369.473	1.432	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCc3ccsc3)C[C@@H]2O)cn1	ZINC001083970187	912921388	/nfs/dbraw/zinc/92/13/88/912921388.db2.gz	IBDVUJYDVXBZLH-MSOLQXFVSA-N	1	0	355.463	1.532	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@@H]1O	ZINC001083998565	912942133	/nfs/dbraw/zinc/94/21/33/912942133.db2.gz	CYCVAMSTXCTPRY-OTWHNJEPSA-N	1	0	356.466	1.187	20	30		FDEDRO
N#Cc1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[C@@H](C(N)=O)C1	ZINC001035051542	885554856	/nfs/dbraw/zinc/55/48/56/885554856.db2.gz	USIXAHNIOWBJFJ-RVKKMQEKSA-N	1	0	354.454	1.540	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(CO)ccc1F	ZINC001035055212	885563758	/nfs/dbraw/zinc/56/37/58/885563758.db2.gz	ZHEWCMVDFNASJH-LMMKCTJWSA-N	1	0	362.445	1.990	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ncc(Cl)n1C	ZINC001035056649	885568486	/nfs/dbraw/zinc/56/84/86/885568486.db2.gz	COJAPWSAXMIPCN-MCIONIFRSA-N	1	0	352.866	1.745	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC/C=C/CC)C[C@@H]1n1ccnn1	ZINC001129052362	885578880	/nfs/dbraw/zinc/57/88/80/885578880.db2.gz	CMWRTRBQSPAOFR-PEHGNSNYSA-N	1	0	370.501	1.074	20	30		FDEDRO
CC1(C)C[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+](CC#Cc2ccccc2)C1	ZINC001089492990	885663116	/nfs/dbraw/zinc/66/31/16/885663116.db2.gz	RXIAXMVPAWVBGY-QRVBRYPASA-N	1	0	367.493	1.766	20	30		FDEDRO
C=CCN1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@@H](n2ccnn2)C1	ZINC001129084698	885712660	/nfs/dbraw/zinc/71/26/60/885712660.db2.gz	UHPRRSLYSYOXQH-SJORKVTESA-N	1	0	360.506	1.459	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCO[C@@H]3CC3(F)F)[C@H](C)C2)nc1	ZINC001106894607	885761356	/nfs/dbraw/zinc/76/13/56/885761356.db2.gz	PAMBMOWHNUBGBR-FRFSOERESA-N	1	0	363.408	1.785	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC[N@@H+]([C@@H]3CCNC3=O)C2)CC1	ZINC001035237613	885800909	/nfs/dbraw/zinc/80/09/09/885800909.db2.gz	QJXSNQNIIKYUBM-BBWFWOEESA-N	1	0	361.486	1.171	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC[N@@H+](Cc3nccn3C)C2)CC1	ZINC001035230615	885817177	/nfs/dbraw/zinc/81/71/77/885817177.db2.gz	OXRMIOUUUZFSRT-SJORKVTESA-N	1	0	358.486	1.826	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC[N@@H+](Cc3cnn(C)c3)C2)CC1	ZINC001035230573	885817874	/nfs/dbraw/zinc/81/78/74/885817874.db2.gz	MTEGZTMAWZWVBK-MSOLQXFVSA-N	1	0	358.486	1.826	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCC[C@@H](C)O)C[C@@H]2n2ccnn2)cc1	ZINC001129145125	885869099	/nfs/dbraw/zinc/86/90/99/885869099.db2.gz	ZSAGQYYPIPBDDP-LZQZEXGQSA-N	1	0	367.453	1.076	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@@H]1n1ccnn1	ZINC001129147723	885876241	/nfs/dbraw/zinc/87/62/41/885876241.db2.gz	NCQHAFQFVCUCIE-ZACQAIPSSA-N	1	0	361.490	1.791	20	30		FDEDRO
Cc1nc(NCCOCCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)ccc1C#N	ZINC001127504805	885883865	/nfs/dbraw/zinc/88/38/65/885883865.db2.gz	BXNNZHBISJQCEH-NVXWUHKLSA-N	1	0	359.474	1.489	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](OC)C2CCC2)C[C@@H]1n1ccnn1	ZINC001129159340	885890982	/nfs/dbraw/zinc/89/09/82/885890982.db2.gz	GNXNQSPZVVKECT-IKGGRYGDSA-N	1	0	361.490	1.647	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@@H]1n1ccnn1	ZINC001129159859	885894487	/nfs/dbraw/zinc/89/44/87/885894487.db2.gz	ZATITHPJZYROQL-XHSDSOJGSA-N	1	0	361.490	1.647	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(CC#Cc3ccccc3)CCO2)CC[N@@H+]1C	ZINC001035375590	885949670	/nfs/dbraw/zinc/94/96/70/885949670.db2.gz	LKXOHIBTJVNFEY-MISYRCLQSA-N	1	0	355.482	1.195	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)NCCC)[C@H](C)C2)cn1	ZINC001106896586	886105282	/nfs/dbraw/zinc/10/52/82/886105282.db2.gz	MZGVWDDIKUUNOO-HLLBOEOZSA-N	1	0	356.470	1.275	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1n1ccnn1	ZINC001129189728	886159107	/nfs/dbraw/zinc/15/91/07/886159107.db2.gz	WBDKKTMNDGQNTC-MSOLQXFVSA-N	1	0	359.474	1.382	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCc2ccc(=O)[nH]c2)[C@@H](n2ccnn2)C1	ZINC001129198977	886258342	/nfs/dbraw/zinc/25/83/42/886258342.db2.gz	AQGOBLFJRNDFIZ-SJORKVTESA-N	1	0	370.457	1.319	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc3n[nH]cc3c2)[C@@H](n2ccnn2)C1	ZINC001129200280	886320413	/nfs/dbraw/zinc/32/04/13/886320413.db2.gz	UCJXSDNBHXALTE-MSOLQXFVSA-N	1	0	365.441	1.776	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2Cc3ccccc32)[C@@H](n2ccnn2)C1	ZINC001129204350	886369885	/nfs/dbraw/zinc/36/98/85/886369885.db2.gz	DESIJFKNTBNEIW-QRVBRYPASA-N	1	0	351.454	1.926	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cccnc2C)[C@@H](n2ccnn2)C1	ZINC001129205636	886420355	/nfs/dbraw/zinc/42/03/55/886420355.db2.gz	ZFNQIZPETMTUJE-QGTPRVQTSA-N	1	0	354.458	1.992	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc3[nH]c(N4CCOCC4)nc3c2)CC1	ZINC000919966971	886473411	/nfs/dbraw/zinc/47/34/11/886473411.db2.gz	WNSCZQGATAMMOY-UHFFFAOYSA-N	1	0	367.453	1.683	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](OC)C2CCC2)C[C@@H]1n1ccnn1	ZINC001129210334	886568257	/nfs/dbraw/zinc/56/82/57/886568257.db2.gz	RFBYASSTJDLDMB-FGTMMUONSA-N	1	0	361.490	1.791	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CCOc2ccc(F)cc2)[C@@H](n2ccnn2)C1	ZINC001129224086	886645956	/nfs/dbraw/zinc/64/59/56/886645956.db2.gz	SBMCNVFYXFLTMX-MSOLQXFVSA-N	1	0	371.416	1.251	20	30		FDEDRO
N#CCCn1ccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccnc3)C2)n1	ZINC000365645833	887585124	/nfs/dbraw/zinc/58/51/24/887585124.db2.gz	FZBSTAJSJPCGBK-QGZVFWFLSA-N	1	0	367.457	2.225	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(N(C)C)c2)C[C@H]1OC	ZINC001212255621	887889512	/nfs/dbraw/zinc/88/95/12/887889512.db2.gz	NWFZUNTVSHBHAB-ATZDWAIDSA-N	1	0	359.470	1.106	20	30		FDEDRO
C[C@@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C1(CO)CC1	ZINC000923092202	888005168	/nfs/dbraw/zinc/00/51/68/888005168.db2.gz	PBBCPRXUNMIQSY-OAHLLOKOSA-N	1	0	356.470	1.983	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1Cc2ccccc2N(C)C1=O)C1CC[NH+](C)CC1	ZINC000923198568	888365513	/nfs/dbraw/zinc/36/55/13/888365513.db2.gz	IMWZXHKFQYHHTL-KRWDZBQOSA-N	1	0	354.454	1.313	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1C(=O)NCc1ccc(C(=O)NO)cc1	ZINC000671995904	913269993	/nfs/dbraw/zinc/26/99/93/913269993.db2.gz	LHBQDJYVHYBFTQ-UHFFFAOYSA-N	1	0	357.410	1.676	20	30		FDEDRO
C#CCCCC(=O)NC[C@H]1CC[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1	ZINC001060755786	888809775	/nfs/dbraw/zinc/80/97/75/888809775.db2.gz	PKIVGTHVQVLJBQ-BRSBDYLESA-N	1	0	363.502	1.300	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccnc(OCCOC)c2)[C@H](OC)C1	ZINC001212270108	888829746	/nfs/dbraw/zinc/82/97/46/888829746.db2.gz	FOHVFEUJHCZJPP-IAGOWNOFSA-N	1	0	363.458	1.502	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2ccnc(OCCOC)c2)[C@H](OC)C1	ZINC001212270424	888834730	/nfs/dbraw/zinc/83/47/30/888834730.db2.gz	PYBPWFSWGLYWEW-IAGOWNOFSA-N	1	0	363.458	1.502	20	30		FDEDRO
C#C[C@H](NC(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O)C1CCOCC1	ZINC000923326390	888918778	/nfs/dbraw/zinc/91/87/78/888918778.db2.gz	YPACHWBFTDUISK-ZIVNCQHPSA-N	1	0	363.502	1.194	20	30		FDEDRO
C#Cc1cncc(C(=O)N(C)[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC000938608105	888918841	/nfs/dbraw/zinc/91/88/41/888918841.db2.gz	XRVHIFMPIVBEPF-ZTFGCOKTSA-N	1	0	354.454	1.076	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cn1	ZINC000938609737	888957239	/nfs/dbraw/zinc/95/72/39/888957239.db2.gz	ZQMRGXJPCAWDMR-GBESFXJTSA-N	1	0	368.481	1.466	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)CN2C[C@@H](F)C[C@H]2C[NH2+]C)c(OC)c1	ZINC000923355480	888997870	/nfs/dbraw/zinc/99/78/70/888997870.db2.gz	MQFIVMZIMRKKNK-ULQDDVLXSA-N	1	0	352.450	1.795	20	30		FDEDRO
COc1cccc([C@@H]2C[NH2+]CCN2C[C@H](O)COc2ccc(C#N)cc2)c1	ZINC000923421164	889222910	/nfs/dbraw/zinc/22/29/10/889222910.db2.gz	GBIBLDCAODTABM-RXVVDRJESA-N	1	0	367.449	1.953	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1	ZINC000938861375	889466732	/nfs/dbraw/zinc/46/67/32/889466732.db2.gz	JFYIECQJGAGKSG-VBQJREDUSA-N	1	0	358.442	1.069	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC[NH+](CCN2CCCC2=O)CC1	ZINC001006122573	889561744	/nfs/dbraw/zinc/56/17/44/889561744.db2.gz	HMAQWBSLZJXOGV-HKUYNNGSSA-N	1	0	363.502	1.513	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCCNCc1nnc([C@@H]2CCCOC2)o1	ZINC001127609341	889740961	/nfs/dbraw/zinc/74/09/61/889740961.db2.gz	WSHIQZXOIGHHHG-KFWWJZLASA-N	1	0	364.446	1.151	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[C@H]2CCCCO2)[C@H](OC)C1	ZINC001212291290	889784225	/nfs/dbraw/zinc/78/42/25/889784225.db2.gz	GIMQECVOFLMOOK-BRWVUGGUSA-N	1	0	354.491	1.600	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@@H]1O	ZINC001084091910	913383765	/nfs/dbraw/zinc/38/37/65/913383765.db2.gz	VXTRPTCNNCGWFG-QYZOEREBSA-N	1	0	356.470	1.094	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCc1ccc(C)cc1	ZINC001127612730	889904077	/nfs/dbraw/zinc/90/40/77/889904077.db2.gz	BNPNLSDWNINMIL-MSOLQXFVSA-N	1	0	359.470	1.298	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)c1cc(F)ccc1F	ZINC001127613186	889942780	/nfs/dbraw/zinc/94/27/80/889942780.db2.gz	UAOASUUEWDHJBI-COXVUDFISA-N	1	0	354.397	1.685	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1CN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC001006164683	889945491	/nfs/dbraw/zinc/94/54/91/889945491.db2.gz	HRICHMVKLAEGOK-PVAVHDDUSA-N	1	0	361.486	1.027	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)C1	ZINC000923580973	889962187	/nfs/dbraw/zinc/96/21/87/889962187.db2.gz	FRGDXZDXMQEXQU-RTBURBONSA-N	1	0	353.466	1.434	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)nc1	ZINC000939120602	890021521	/nfs/dbraw/zinc/02/15/21/890021521.db2.gz	MMEHUKPTCNDJGF-OLMNPRSZSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)[C@H](OC)C1	ZINC001212309288	890029451	/nfs/dbraw/zinc/02/94/51/890029451.db2.gz	RENCZPLJNLWYFH-KZNAEPCWSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN2C(=O)CC)[C@H](OC)C1	ZINC001212309245	890029899	/nfs/dbraw/zinc/02/98/99/890029899.db2.gz	QKAORJIHOXSZQN-IXDOHACOSA-N	1	0	351.491	1.559	20	30		FDEDRO
C=CCOc1ccc(-c2noc([C@@H](N)CN3CCC([NH3+])CC3)n2)c(F)c1	ZINC001212315549	890038162	/nfs/dbraw/zinc/03/81/62/890038162.db2.gz	YQAHZZLVPXYGDK-INIZCTEOSA-N	1	0	361.421	1.863	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)c3c[nH]c(C#N)c3)CCC2)CC[N@@H+]1C	ZINC001062828582	890060052	/nfs/dbraw/zinc/06/00/52/890060052.db2.gz	FVOJXLDVHGVWNG-JKSUJKDBSA-N	1	0	357.458	1.385	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1CN(CC(=O)N(CC)CC)C[C@H]1OC	ZINC001212321140	890111183	/nfs/dbraw/zinc/11/11/83/890111183.db2.gz	SXTSECARAXSRJG-IAGOWNOFSA-N	1	0	351.491	1.439	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(NC(=O)[C@@H](CC)[NH+](C)C)CCC1	ZINC001063205291	890295794	/nfs/dbraw/zinc/29/57/94/890295794.db2.gz	IDAPOPGIKLCMPX-XHSDSOJGSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(NC(=O)C[N@H+]2CCC[C@@H]2C)CCC1	ZINC001063205318	890296771	/nfs/dbraw/zinc/29/67/71/890296771.db2.gz	JEFHYTLLGHNLEE-BQFCYCMXSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=CCOCCCC(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1	ZINC001063223526	890330283	/nfs/dbraw/zinc/33/02/83/890330283.db2.gz	MEZJRIUVBKKLBC-HZPDHXFCSA-N	1	0	351.491	1.465	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H](CCNc3ccncc3C#N)C2)CC[N@@H+]1C	ZINC001063302415	890430537	/nfs/dbraw/zinc/43/05/37/890430537.db2.gz	WXUKTOVVWWKEQA-JFIYKMOQSA-N	1	0	355.486	1.756	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cc1	ZINC000939329665	890460412	/nfs/dbraw/zinc/46/04/12/890460412.db2.gz	IACZTTOCBGSAGQ-GIYDNNGJSA-N	1	0	367.493	1.975	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)C2CC[NH+](C)CC2)C1	ZINC001006180412	890518706	/nfs/dbraw/zinc/51/87/06/890518706.db2.gz	OQTWUSSJJAJVEY-QGTPRVQTSA-N	1	0	363.502	1.273	20	30		FDEDRO
CC(C)c1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)cc1	ZINC001106914335	890600570	/nfs/dbraw/zinc/60/05/70/890600570.db2.gz	HKNSUIHPPUHJCR-CRAIPNDOSA-N	1	0	356.470	1.747	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)c1	ZINC000939565499	890897128	/nfs/dbraw/zinc/89/71/28/890897128.db2.gz	RYIXBRKUSKYUEJ-CEXWTWQISA-N	1	0	368.481	1.466	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2c[nH]c3ccccc23)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106914991	890931437	/nfs/dbraw/zinc/93/14/37/890931437.db2.gz	ODSMKAXFAYCYLG-GDBMZVCRSA-N	1	0	367.453	1.034	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCc2ccco2)C[C@H]1OC	ZINC001212344631	891007201	/nfs/dbraw/zinc/00/72/01/891007201.db2.gz	FQYAIZLOZZLEOP-KBAYOESNSA-N	1	0	366.458	1.329	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1	ZINC000939762841	891213764	/nfs/dbraw/zinc/21/37/64/891213764.db2.gz	XBSIFOGOWKNRRP-ZACQAIPSSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1	ZINC000939756851	891231673	/nfs/dbraw/zinc/23/16/73/891231673.db2.gz	KBQFOQCLHLYIOU-KURKYZTESA-N	1	0	363.502	1.369	20	30		FDEDRO
NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1CC[NH+](CC#Cc2ccc(F)cc2)CC1	ZINC001001839636	891405711	/nfs/dbraw/zinc/40/57/11/891405711.db2.gz	LNIPCKBEKFMASD-MSOLQXFVSA-N	1	0	357.429	1.127	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1CN(Cc2ccc3c(c2)nnn3C)C[C@H]1OC	ZINC001212346845	891511403	/nfs/dbraw/zinc/51/14/03/891511403.db2.gz	DBAGMQDSXYDACY-SJLPKXTDSA-N	1	0	357.458	1.640	20	30		FDEDRO
C=CCN1CC[C@@H]([NH+]2CCC(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1=O	ZINC001001867835	891523286	/nfs/dbraw/zinc/52/32/86/891523286.db2.gz	TZSBHDBVJOHOEP-TVFCKZIOSA-N	1	0	361.486	1.169	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H](C)C2CC2)C3)CC1	ZINC001001871845	891538024	/nfs/dbraw/zinc/53/80/24/891538024.db2.gz	ICADGCCMCBOQKU-AXUOBQJMSA-N	1	0	357.498	1.626	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3ccn(C)c3C)C2)CC1	ZINC000939959608	891570632	/nfs/dbraw/zinc/57/06/32/891570632.db2.gz	QWJUUCGSQVMREX-DNVCBOLYSA-N	1	0	370.497	1.255	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2C)c1	ZINC000940010971	891627202	/nfs/dbraw/zinc/62/72/02/891627202.db2.gz	LSUIQNWHRYJPKJ-OLMNPRSZSA-N	1	0	356.470	1.226	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C#N)[nH]1)C2	ZINC001002086450	891908571	/nfs/dbraw/zinc/90/85/71/891908571.db2.gz	WFGPSFSFKYXKDO-JFOHDYCDSA-N	1	0	355.442	1.232	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCC)C1	ZINC001112541228	891912005	/nfs/dbraw/zinc/91/20/05/891912005.db2.gz	MOUZDZLIKSBHFK-NSHGMRRFSA-N	1	0	365.518	1.712	20	30		FDEDRO
CC1([NH2+]Cc2ccccc2C#N)CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1	ZINC000940327714	892276107	/nfs/dbraw/zinc/27/61/07/892276107.db2.gz	PDOUEZWXQZOMLQ-CVEARBPZSA-N	1	0	368.481	1.931	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccn[nH]4)[C@@H]3C2)cc1	ZINC001084203028	913647560	/nfs/dbraw/zinc/64/75/60/913647560.db2.gz	BQNGEKSVLVAUJF-CRAIPNDOSA-N	1	0	351.410	1.659	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CC(C)(C)CO2)C[C@H]1C	ZINC001106919960	892505470	/nfs/dbraw/zinc/50/54/70/892505470.db2.gz	GFXJCXRNWCCVCB-BRWVUGGUSA-N	1	0	365.518	1.568	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COCCCCCC)C[C@H]1C	ZINC001106923523	892610310	/nfs/dbraw/zinc/61/03/10/892610310.db2.gz	ZAVKGWSUOYFLCP-IAGOWNOFSA-N	1	0	351.491	1.017	20	30		FDEDRO
C#Cc1cncc(C(=O)N(C)C[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1	ZINC001002555275	893200246	/nfs/dbraw/zinc/20/02/46/893200246.db2.gz	IHFSZLRLDPTGCQ-ATZDWAIDSA-N	1	0	368.481	1.466	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C(C)(C)C1	ZINC000940811734	893280334	/nfs/dbraw/zinc/28/03/34/893280334.db2.gz	SDGOABBQOPCKSH-IXDOHACOSA-N	1	0	358.486	1.738	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CN(C(=O)CC[NH+](C)C)C2)CC1	ZINC001061120612	893558076	/nfs/dbraw/zinc/55/80/76/893558076.db2.gz	GMDBUJJARAQRSO-WMZOPIPTSA-N	1	0	363.502	1.370	20	30		FDEDRO
C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C(C)(C)C1	ZINC000941028804	893697083	/nfs/dbraw/zinc/69/70/83/893697083.db2.gz	OSEPZLCPNVCXHH-PMPSAXMXSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cn3cc(C)ccc3n2)[C@H](OC)C1	ZINC001212459029	893741459	/nfs/dbraw/zinc/74/14/59/893741459.db2.gz	UOSDOVBHXJATEA-NVXWUHKLSA-N	1	0	358.442	1.274	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CNC(=O)c2cccc(F)c2)C[C@H]1C	ZINC001106948413	893904889	/nfs/dbraw/zinc/90/48/89/893904889.db2.gz	GHCCSZORWKRDCU-IUODEOHRSA-N	1	0	367.852	1.992	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc3ccccc3o2)C[C@H]1C	ZINC001106950310	893998671	/nfs/dbraw/zinc/99/86/71/893998671.db2.gz	AICQQFARUJCFQI-BFYDXBDKSA-N	1	0	367.449	1.868	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cncnc4)[C@@H]3C2)cc1	ZINC001084296255	913852260	/nfs/dbraw/zinc/85/22/60/913852260.db2.gz	DLAWLEHAYUDCDX-VQIMIIECSA-N	1	0	363.421	1.725	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(Cl)s2)C[C@H]1C	ZINC001106952400	894314286	/nfs/dbraw/zinc/31/42/86/894314286.db2.gz	DXNXSLZBWGOQLZ-FRRDWIJNSA-N	1	0	367.902	1.837	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[N@@H+](C[C@@H](O)C4CCCCC4)C[C@H]32)c1	ZINC001084261800	913870378	/nfs/dbraw/zinc/87/03/78/913870378.db2.gz	ZLDNVSDAEIGBMV-BHIYHBOVSA-N	1	0	356.470	1.974	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)C[C@@H](C)COC1CCCC1	ZINC000922022196	894484728	/nfs/dbraw/zinc/48/47/28/894484728.db2.gz	JNWPSDGKTGSVGJ-INIZCTEOSA-N	1	0	356.532	1.941	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(C)c1C(=O)OC	ZINC000922025270	894522584	/nfs/dbraw/zinc/52/25/84/894522584.db2.gz	WFYDBDZKDZGEGW-UHFFFAOYSA-N	1	0	364.467	1.500	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000922025780	894534872	/nfs/dbraw/zinc/53/48/72/894534872.db2.gz	JXSRSNSHLGCALR-UHFFFAOYSA-N	1	0	351.428	1.454	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cnn(C2CCCC2)c1	ZINC000922025812	894536630	/nfs/dbraw/zinc/53/66/30/894536630.db2.gz	OGOAQKJSYBXPBC-UHFFFAOYSA-N	1	0	350.488	1.716	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(NC(C)=O)cc1F	ZINC000922024325	894562409	/nfs/dbraw/zinc/56/24/09/894562409.db2.gz	PFJIIYXSRYUBKG-UHFFFAOYSA-N	1	0	367.446	1.502	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCCOC[C@@H]1C)C(C)C	ZINC000671082068	896161925	/nfs/dbraw/zinc/16/19/25/896161925.db2.gz	SHCCINSMJBEUOL-IRXDYDNUSA-N	1	0	351.491	1.439	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@H](C)O[C@@H](C)[C@@H]1C)C(C)C	ZINC000671082100	896164400	/nfs/dbraw/zinc/16/44/00/896164400.db2.gz	WCGDYPNMICSWTB-XLAORIBOSA-N	1	0	365.518	1.826	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CNC(=O)C4CC4)CCC[C@@H]23)CC1	ZINC000995197579	896201655	/nfs/dbraw/zinc/20/16/55/896201655.db2.gz	UVCNBWJFIHWZOS-WIYYLYMNSA-N	1	0	357.498	1.629	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1	ZINC000671103618	896623253	/nfs/dbraw/zinc/62/32/53/896623253.db2.gz	MXWCLVWMOVQOII-SJORKVTESA-N	1	0	357.454	1.611	20	30		FDEDRO
C=CCC[N@H+]1C[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC2(CCOCC2)C1	ZINC001089959998	897330948	/nfs/dbraw/zinc/33/09/48/897330948.db2.gz	WEZVSXFUUDSMPO-IXDOHACOSA-N	1	0	363.502	1.451	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1	ZINC000995266716	897631311	/nfs/dbraw/zinc/63/13/11/897631311.db2.gz	MBTWWVSBPHLNLH-BHIYHBOVSA-N	1	0	370.497	1.833	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)NC[C@]23CCC[C@H]2N(C(=O)C[NH+]2CCCC2)CC3)c1	ZINC000995270448	897646968	/nfs/dbraw/zinc/64/69/68/897646968.db2.gz	OFHOVCNZDODVJY-YLJYHZDGSA-N	1	0	369.469	1.483	20	30		FDEDRO
C[N@@H+]1CC[C@H](C(=O)N2CC[C@@]3(CNC(=O)c4c[nH]c(C#N)c4)CCC[C@@H]23)C1	ZINC000995279476	897791225	/nfs/dbraw/zinc/79/12/25/897791225.db2.gz	WIVVNAVJKIWQKX-JNAXZKDPSA-N	1	0	369.469	1.339	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000942811920	897830143	/nfs/dbraw/zinc/83/01/43/897830143.db2.gz	UHWIHEGHJNUPIU-XYJFISCASA-N	1	0	371.485	1.680	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H](N(CC)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC000942814564	897901837	/nfs/dbraw/zinc/90/18/37/897901837.db2.gz	RNFMUMSRERGYMD-KBAYOESNSA-N	1	0	368.481	1.466	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H](N(CC)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC000942816863	897910865	/nfs/dbraw/zinc/91/08/65/897910865.db2.gz	ZBXWVUYZRRNRKA-ATZDWAIDSA-N	1	0	368.481	1.466	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1O	ZINC001078082853	897911712	/nfs/dbraw/zinc/91/17/12/897911712.db2.gz	XCYQLRDMSQBAKK-BMGDILEWSA-N	1	0	362.420	1.807	20	30		FDEDRO
CCCCNC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000250527694	897937797	/nfs/dbraw/zinc/93/77/97/897937797.db2.gz	RHARLMTZYZNTTI-QZTJIDSGSA-N	1	0	359.470	1.926	20	30		FDEDRO
CS(=O)(=O)CCOCC[NH2+]Cc1cc(C#N)ccc1Br	ZINC000921779344	897957600	/nfs/dbraw/zinc/95/76/00/897957600.db2.gz	HEFWOLCIUQXXNU-UHFFFAOYSA-N	1	0	361.261	1.472	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[N@@H+]1CCC(C)(C)C1	ZINC001078481261	898825144	/nfs/dbraw/zinc/82/51/44/898825144.db2.gz	NUEZHKCPCWYHNM-XHSDSOJGSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2ocnc2C)C1	ZINC001078484123	898833963	/nfs/dbraw/zinc/83/39/63/898833963.db2.gz	ADGGJOMTSXLYNO-BQFCYCMXSA-N	1	0	363.458	1.671	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CCC[NH+]1CCCCC1	ZINC001078537494	898889501	/nfs/dbraw/zinc/88/95/01/898889501.db2.gz	WZLOBWPSGFHEHE-KSZLIROESA-N	1	0	365.518	1.855	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC000943545015	898994100	/nfs/dbraw/zinc/99/41/00/898994100.db2.gz	ITTRZFOCVNQBKT-ZACQAIPSSA-N	1	0	361.486	1.171	20	30		FDEDRO
C=CCN1CC[C@H]([NH+]2CCC(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1=O	ZINC001001659839	899112142	/nfs/dbraw/zinc/11/21/42/899112142.db2.gz	YZQDKCVLMFXZRI-SGYMCOKNSA-N	1	0	373.497	1.025	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COCCN2C(C)=O)C[C@H]1C	ZINC001107003822	899170001	/nfs/dbraw/zinc/17/00/01/899170001.db2.gz	AWRVVUFEBNYNID-QRQLOZEOSA-N	1	0	367.534	1.888	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)CC2)CC[N@@H+]1C	ZINC000943683453	899202746	/nfs/dbraw/zinc/20/27/46/899202746.db2.gz	ZNBOVOIUNZFDEN-DNNBLBMLSA-N	1	0	357.458	1.384	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCn2cccc2)C[C@H]1C	ZINC001107021892	899601778	/nfs/dbraw/zinc/60/17/78/899601778.db2.gz	CINMZLRLNBCVFL-FGTMMUONSA-N	1	0	358.486	1.090	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)CNC(=O)NCc2ccco2)C[C@H]1C	ZINC001107029403	899642162	/nfs/dbraw/zinc/64/21/62/899642162.db2.gz	SRTMXLPBAKBULB-HZPDHXFCSA-N	1	0	362.474	1.729	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCN2C(=O)[C@@H]2C[C@H]2C2CCC2)CC1	ZINC000944047225	899743484	/nfs/dbraw/zinc/74/34/84/899743484.db2.gz	AVNCRFGQVAVQBK-HSALFYBXSA-N	1	0	371.525	1.875	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2	ZINC000944149862	899901080	/nfs/dbraw/zinc/90/10/80/899901080.db2.gz	MEBBHSJJJRENMO-IKGGRYGDSA-N	1	0	361.486	1.171	20	30		FDEDRO
O=C(Cc1ccncc1Cl)N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O	ZINC001083781434	899950359	/nfs/dbraw/zinc/95/03/59/899950359.db2.gz	HMIMWMSLZUPWET-MOPGFXCFSA-N	1	0	369.852	1.491	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC[C@@H](C)F)[C@H](C)C1	ZINC001107035849	899994955	/nfs/dbraw/zinc/99/49/55/899994955.db2.gz	BCAPTNVSMUPUCW-RBSFLKMASA-N	1	0	356.486	1.682	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)c1	ZINC000944277510	900051566	/nfs/dbraw/zinc/05/15/66/900051566.db2.gz	SSTDXXCDFCQUSY-CEXWTWQISA-N	1	0	368.481	1.514	20	30		FDEDRO
CCOCCOCC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1	ZINC001107045375	900094977	/nfs/dbraw/zinc/09/49/77/900094977.db2.gz	FSSAULRPYLBXBD-VQIMIIECSA-N	1	0	359.470	1.795	20	30		FDEDRO
CC(C)Cc1ccccc1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001107056260	900188058	/nfs/dbraw/zinc/18/80/58/900188058.db2.gz	UATFXDHYOUTMAI-SJLPKXTDSA-N	1	0	370.497	1.823	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(C(N)=O)cc2)C[C@H]1C	ZINC001107053881	900201768	/nfs/dbraw/zinc/20/17/68/900201768.db2.gz	AWXWVBLNPMZFIK-CRAIPNDOSA-N	1	0	359.470	1.215	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)C2(CCOC)CCCC2)C[C@H]1C	ZINC001107058679	900279626	/nfs/dbraw/zinc/27/96/26/900279626.db2.gz	VAMHDVFQXMEZOB-QZTJIDSGSA-N	1	0	350.503	1.917	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NCC(C)C)[C@H](C)C1	ZINC001107062280	900442002	/nfs/dbraw/zinc/44/20/02/900442002.db2.gz	GTZYYYYKOFJHCH-IXDOHACOSA-N	1	0	353.507	1.424	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@@H](C)CCC)[C@H](C)C1	ZINC001107065838	900457665	/nfs/dbraw/zinc/45/76/65/900457665.db2.gz	ZIHLGVVNNDWOLF-IXDOHACOSA-N	1	0	353.507	1.568	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](OCC)c2ccccc2)C[C@H]1C	ZINC001107066965	900464440	/nfs/dbraw/zinc/46/44/40/900464440.db2.gz	RQHKFAZHCJLGPB-YVWKXTFCSA-N	1	0	371.481	1.198	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc3c2CCC3)C[C@H]1C	ZINC001107067036	900464780	/nfs/dbraw/zinc/46/47/80/900464780.db2.gz	UFRHQVATIGOMJQ-JFIYKMOQSA-N	1	0	367.493	1.611	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CCC1	ZINC001063559002	900987302	/nfs/dbraw/zinc/98/73/02/900987302.db2.gz	YZMAGEADWZZFNM-IKGGRYGDSA-N	1	0	363.502	1.607	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(c3ccc(C#N)nc3)CCO2)CC[N@@H+]1C	ZINC001063670589	901092550	/nfs/dbraw/zinc/09/25/50/901092550.db2.gz	LSSUHUJMVPHNNX-OKZBNKHCSA-N	1	0	357.458	1.005	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC(CCN(C)c3nccnc3C#N)CC2)CC[N@@H+]1C	ZINC001063974555	901221169	/nfs/dbraw/zinc/22/11/69/901221169.db2.gz	JVBZQCMSGUFSAI-NVXWUHKLSA-N	1	0	370.501	1.753	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CCN(c4ccc(C#N)nc4)C3)C2)CC[N@@H+]1C	ZINC001064649637	901516789	/nfs/dbraw/zinc/51/67/89/901516789.db2.gz	FVHCJWNAZWLVLU-XFQXTVEOSA-N	1	0	353.470	1.722	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CCN(c4cncc(C#N)n4)C3)C2)CC[N@@H+]1C	ZINC001064650236	901519838	/nfs/dbraw/zinc/51/98/38/901519838.db2.gz	RYNZCWOKYIQQAS-QKLQHJQFSA-N	1	0	368.485	1.507	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1CC[C@H]2CN(c3ncc(C#N)cc3Cl)C[C@H]21	ZINC001090328066	901710734	/nfs/dbraw/zinc/71/07/34/901710734.db2.gz	VVTUGGFYLNCVLM-GOEBONIOSA-N	1	0	361.877	1.986	20	30		FDEDRO
C=CCCn1cc(-c2nc(-c3ccnc(OCC[NH+](C)C)c3)no2)nn1	ZINC000351366881	901781331	/nfs/dbraw/zinc/78/13/31/901781331.db2.gz	ZZAWZMROISZINH-UHFFFAOYSA-N	1	0	355.402	1.907	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC2(C)CCN(c3ncc(C#N)cc3F)CC2)CC[N@@H+]1C	ZINC001065115654	901858203	/nfs/dbraw/zinc/85/82/03/901858203.db2.gz	OUXWATARDTTZOD-UKRRQHHQSA-N	1	0	359.449	1.908	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2ncccc2C#N)CC[N@@H+]1C	ZINC001065170797	901882882	/nfs/dbraw/zinc/88/28/82/901882882.db2.gz	CHTOVZDTSXDHHZ-NRSFXHEJSA-N	1	0	353.470	1.863	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cn(C)nc2C)C1	ZINC001079129752	901935759	/nfs/dbraw/zinc/93/57/59/901935759.db2.gz	DWGWKMDHLHVQBP-WOJBJXKFSA-N	1	0	368.481	1.992	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cc(C)n[nH]2)C1	ZINC001079130129	901939048	/nfs/dbraw/zinc/93/90/48/901939048.db2.gz	ZAIZYQAUDWAENC-RTBURBONSA-N	1	0	352.438	1.429	20	30		FDEDRO
C#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2[nH]cnc2CC)C1	ZINC001079147011	901970704	/nfs/dbraw/zinc/97/07/04/901970704.db2.gz	RXBPTDFNRSLRML-QZTJIDSGSA-N	1	0	352.438	1.293	20	30		FDEDRO
C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@H]1c1ccc(F)cc1	ZINC001079151237	901984408	/nfs/dbraw/zinc/98/44/08/901984408.db2.gz	HTMJBRXZAPKWCK-SOVGHPHASA-N	1	0	370.428	1.994	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+][C@H]2CCNC2=O)C1	ZINC001079152429	901987214	/nfs/dbraw/zinc/98/72/14/901987214.db2.gz	LWEMUUIAVXVWIS-GBESFXJTSA-N	1	0	369.440	1.402	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2[nH]c(=O)[nH]c2C)C1	ZINC001079136874	902007306	/nfs/dbraw/zinc/00/73/06/902007306.db2.gz	HRLSNIDJONLHGB-IAGOWNOFSA-N	1	0	368.437	1.135	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccc(=O)n(C)c2)C1	ZINC001079137957	902015708	/nfs/dbraw/zinc/01/57/08/902015708.db2.gz	FCOMDYKGDYWMCN-RTBURBONSA-N	1	0	367.449	1.259	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1c1cccc(F)c1	ZINC001079173745	902055373	/nfs/dbraw/zinc/05/53/73/902055373.db2.gz	LCNZCQUWHNQYTF-JKSUJKDBSA-N	1	0	354.447	1.330	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CCc2cnn(C)c2)C1	ZINC001079175165	902060257	/nfs/dbraw/zinc/06/02/57/902060257.db2.gz	YRDDHJLNCNBDPC-ZOCIIQOWSA-N	1	0	369.444	1.846	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C(=O)N(C)CCC#N	ZINC000901726757	902074387	/nfs/dbraw/zinc/07/43/87/902074387.db2.gz	ALXZQPVPIVOPKU-WDEREUQCSA-N	1	0	354.252	1.311	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C)C2)CC[C@H]1c1ccc(F)cc1	ZINC001079161370	902085209	/nfs/dbraw/zinc/08/52/09/902085209.db2.gz	LNPIXZBXMQARLF-AYOQOUSVSA-N	1	0	371.456	1.601	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2C)CC[C@H]1c1ccc(F)cc1	ZINC001079162216	902088750	/nfs/dbraw/zinc/08/87/50/902088750.db2.gz	AABFBPOGOIEKKD-IPMKNSEASA-N	1	0	371.456	1.744	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)N2CCCC2=O)C[C@H]1c1cccc(F)c1	ZINC001079206116	902111062	/nfs/dbraw/zinc/11/10/62/902111062.db2.gz	XKRPLUFCAIANKJ-AYOQOUSVSA-N	1	0	371.456	1.744	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)C2)C[C@H]1c1cccc(F)c1	ZINC001079205869	902111412	/nfs/dbraw/zinc/11/14/12/902111412.db2.gz	JAQSLWTUSIPBJW-JCGIZDLHSA-N	1	0	357.429	1.211	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(CC)CCO2)C[C@H]1c1cccc(F)c1	ZINC001079210845	902118832	/nfs/dbraw/zinc/11/88/32/902118832.db2.gz	DLXDGUMBSAYZTH-OTWHNJEPSA-N	1	0	359.445	1.064	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC(=O)NC2)C[C@H]1c1cccc(F)c1	ZINC001079186439	902131652	/nfs/dbraw/zinc/13/16/52/902131652.db2.gz	LLNBNDOKCFRHMH-FHLIZLRMSA-N	1	0	359.445	1.812	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2CC)C[C@H]1c1cccc(F)c1	ZINC001079188616	902137308	/nfs/dbraw/zinc/13/73/08/902137308.db2.gz	JGZVHRJVMBFUBR-QFBILLFUSA-N	1	0	354.429	1.953	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn(C)ccc2=O)C[C@H]1c1cccc(F)c1	ZINC001079190151	902143128	/nfs/dbraw/zinc/14/31/28/902143128.db2.gz	CFEQRZGEEHEVHA-FUHWJXTLSA-N	1	0	355.413	1.908	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1c1cccc(F)c1	ZINC001079192355	902149316	/nfs/dbraw/zinc/14/93/16/902149316.db2.gz	BXJVLSHVWGVTQY-JKSUJKDBSA-N	1	0	356.401	1.303	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn3cccnc23)C[C@H]1c1cccc(F)c1	ZINC001079193462	902152710	/nfs/dbraw/zinc/15/27/10/902152710.db2.gz	FBHXLAXKNXKHLJ-ZWKOTPCHSA-N	1	0	363.396	1.699	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3nccn3CC)[C@@H]3COC[C@@H]32)CC1	ZINC001079239271	902185245	/nfs/dbraw/zinc/18/52/45/902185245.db2.gz	KSOGXJLWZZLDKU-DLBZAZTESA-N	1	0	356.470	1.479	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cccc4n[nH]nc43)[C@@H]3COC[C@@H]32)CC1	ZINC001079241749	902193197	/nfs/dbraw/zinc/19/31/97/902193197.db2.gz	AJOKGWAWRGBHLS-DOTOQJQBSA-N	1	0	367.453	1.697	20	30		FDEDRO
COCC(=O)N1CC2(CC[NH+](CC#Cc3ccccc3)CC2)[C@H]2COC[C@H]21	ZINC001079211969	902196307	/nfs/dbraw/zinc/19/63/07/902196307.db2.gz	BHRISYCAQYHFRI-VQTJNVASSA-N	1	0	368.477	1.624	20	30		FDEDRO
Cc1cnc(C[NH+]2CCC3(CN(C(=O)[C@H](C)C#N)[C@@H]4COC[C@@H]43)CC2)cn1	ZINC001079228351	902242478	/nfs/dbraw/zinc/24/24/78/902242478.db2.gz	ILEWDRWHNZQISQ-FHLIZLRMSA-N	1	0	369.469	1.384	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC(=O)N3)[C@@H]3COC[C@@H]32)CC1	ZINC001079230083	902248206	/nfs/dbraw/zinc/24/82/06/902248206.db2.gz	UDBQFIJKYFQZIC-GVDBMIGSSA-N	1	0	361.486	1.171	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3cnc4n3CCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079246046	902256753	/nfs/dbraw/zinc/25/67/53/902256753.db2.gz	PMGGREPQKWBCPA-FUHWJXTLSA-N	1	0	370.497	1.958	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ccc(N(C)C)nc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079250069	902267312	/nfs/dbraw/zinc/26/73/12/902267312.db2.gz	KBEBNGLGCZEAIL-ZWKOTPCHSA-N	1	0	368.481	1.334	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)CCc3cncnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079251040	902269242	/nfs/dbraw/zinc/26/92/42/902269242.db2.gz	BVIWLKVCHRNREQ-RBUKOAKNSA-N	1	0	370.497	1.925	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)[C@@H]3COC[C@@H]32)CC1	ZINC001079252735	902275967	/nfs/dbraw/zinc/27/59/67/902275967.db2.gz	QHHZJKKEDYJWNW-WKWVNEEDSA-N	1	0	372.509	1.764	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cnn(CCC)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079263870	902308135	/nfs/dbraw/zinc/30/81/35/902308135.db2.gz	PGOYWZSOKWHELA-RBUKOAKNSA-N	1	0	370.497	1.869	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3csc4cncn43)[C@@H]3COC[C@@H]32)CC1	ZINC001079264047	902309397	/nfs/dbraw/zinc/30/93/97/902309397.db2.gz	XFTWOCFKYMQLQK-LSDHHAIUSA-N	1	0	370.478	1.582	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cnn(CCC)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079263995	902309478	/nfs/dbraw/zinc/30/94/78/902309478.db2.gz	VIHJBMCUOUJZPP-ZWKOTPCHSA-N	1	0	356.470	1.479	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)COc3cccnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079266474	902313471	/nfs/dbraw/zinc/31/34/71/902313471.db2.gz	BOLHEKIQWZNJOA-ZWKOTPCHSA-N	1	0	355.438	1.033	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)CCc3ncccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079266450	902314129	/nfs/dbraw/zinc/31/41/29/902314129.db2.gz	AHHWSWBRMHBRNB-ZWKOTPCHSA-N	1	0	370.497	1.925	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc(CC)nn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079268114	902319809	/nfs/dbraw/zinc/31/98/09/902319809.db2.gz	NNDOVVFPIDMYGC-FUHWJXTLSA-N	1	0	356.470	1.169	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3ccc(OC)o3)[C@@H]3COC[C@@H]32)CC1	ZINC001079268289	902321587	/nfs/dbraw/zinc/32/15/87/902321587.db2.gz	WJTFUBUZYQNEFL-JKSUJKDBSA-N	1	0	358.438	1.865	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)Cc3cnn(CC)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269192	902324003	/nfs/dbraw/zinc/32/40/03/902324003.db2.gz	LLZWQDOIDQUILR-ZWKOTPCHSA-N	1	0	356.470	1.018	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)CCc3cnccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269320	902326131	/nfs/dbraw/zinc/32/61/31/902326131.db2.gz	RYZNDKHGBADDGM-RBUKOAKNSA-N	1	0	370.497	1.925	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)C[C@H](C)n3cccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269407	902326240	/nfs/dbraw/zinc/32/62/40/902326240.db2.gz	WRFQCZRLARURGK-OKZBNKHCSA-N	1	0	358.486	1.960	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cc(CC)n(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079275245	902357406	/nfs/dbraw/zinc/35/74/06/902357406.db2.gz	LAJPQJHDCDUFDW-PKOBYXMFSA-N	1	0	370.497	1.559	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1c1ccccc1F	ZINC001079281943	902370972	/nfs/dbraw/zinc/37/09/72/902370972.db2.gz	DHFLZQIUEVBKOU-FUHWJXTLSA-N	1	0	357.433	1.968	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]CCF)C2)nn1	ZINC001079314861	902409176	/nfs/dbraw/zinc/40/91/76/902409176.db2.gz	OOFLXPAAZSAAPK-GOEBONIOSA-N	1	0	361.396	1.771	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@H]1c1ccccc1F	ZINC001079318499	902418879	/nfs/dbraw/zinc/41/88/79/902418879.db2.gz	HUTGPMMUPPGCKW-FUHWJXTLSA-N	1	0	353.397	1.355	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCn2cc(C)cn2)C[C@H]1c1ccccc1F	ZINC001079322175	902424464	/nfs/dbraw/zinc/42/44/64/902424464.db2.gz	LUNUHGGGSUJUAO-PKOBYXMFSA-N	1	0	354.429	1.938	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)N(C)C2)C[C@H]1c1ccccc1F	ZINC001079322417	902425734	/nfs/dbraw/zinc/42/57/34/902425734.db2.gz	SBZUXLOORSPOEZ-QILLFSRXSA-N	1	0	359.445	1.764	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1c1ccccc1F	ZINC001079311370	902447869	/nfs/dbraw/zinc/44/78/69/902447869.db2.gz	XEFZBXCIGOZUGK-MUQADHOPSA-N	1	0	357.429	1.067	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)CC1(C)C	ZINC000995926489	902641909	/nfs/dbraw/zinc/64/19/09/902641909.db2.gz	VROFQTCBGNPKLN-XQQFMLRXSA-N	1	0	361.280	1.526	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C#N)c[nH]1)C2	ZINC000996009400	902890070	/nfs/dbraw/zinc/89/00/70/902890070.db2.gz	XTPFWGJHDYEBFB-OHFALNGGSA-N	1	0	355.442	1.232	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)Cc3cncnc3)C2)cc1C#N	ZINC001079634306	902919863	/nfs/dbraw/zinc/91/98/63/902919863.db2.gz	IEYOCPWXQWKARY-RDTXWAMCSA-N	1	0	365.437	1.536	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)Cc1ccn(C)n1	ZINC001079681357	903013898	/nfs/dbraw/zinc/01/38/98/903013898.db2.gz	IVJIFONQYYULBK-DNVCBOLYSA-N	1	0	367.453	1.502	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C#N)[nH]1)C2	ZINC000996110217	903115784	/nfs/dbraw/zinc/11/57/84/903115784.db2.gz	WFGPSFSFKYXKDO-YVVXQTMVSA-N	1	0	355.442	1.232	20	30		FDEDRO
C[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001079710372	903120064	/nfs/dbraw/zinc/12/00/64/903120064.db2.gz	FPHFNSPHZFIGKG-FSPWUOQZSA-N	1	0	358.511	1.898	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1C	ZINC001079720899	903136386	/nfs/dbraw/zinc/13/63/86/903136386.db2.gz	AAPRHJRWQQTFGS-PILAGYSTSA-N	1	0	361.490	1.313	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c[nH]c(C#N)c2)C3)C1	ZINC000996121527	903149654	/nfs/dbraw/zinc/14/96/54/903149654.db2.gz	WGTMUOCTUXJTSL-VZEFYGNVSA-N	1	0	355.442	1.090	20	30		FDEDRO
CC(C)(C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(C#N)c1)C2)[NH+]1CCCC1	ZINC000996126259	903160362	/nfs/dbraw/zinc/16/03/62/903160362.db2.gz	MGRSZGNTAKPGHX-IKGGRYGDSA-N	1	0	369.469	1.622	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C(C)(C)C1	ZINC000996328080	903704863	/nfs/dbraw/zinc/70/48/63/903704863.db2.gz	AIBVHWCUCMVRTQ-SQNIBIBYSA-N	1	0	371.481	1.703	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[N@H+](C)C(C)C)C1	ZINC001079930948	903737669	/nfs/dbraw/zinc/73/76/69/903737669.db2.gz	DSMVTPDHIRSELK-SJORKVTESA-N	1	0	351.491	1.367	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cncc4[nH]ccc43)C2)C1=O	ZINC001080045989	903941969	/nfs/dbraw/zinc/94/19/69/903941969.db2.gz	MUVHUBQTLDESNM-XWIAVFTESA-N	1	0	367.453	1.400	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cc(C(N)=O)cn1C	ZINC001080051390	903948685	/nfs/dbraw/zinc/94/86/85/903948685.db2.gz	SSKKGFPJFSDAAV-CXAGYDPISA-N	1	0	365.437	1.246	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)/C=C\c3ccco3)CCC[C@@H]12	ZINC001107255971	904157019	/nfs/dbraw/zinc/15/70/19/904157019.db2.gz	CRGCIYKDQRDIKU-CNZSNBMASA-N	1	0	355.438	1.403	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3ccsc3)CCC[C@@H]12	ZINC001107264097	904210952	/nfs/dbraw/zinc/21/09/52/904210952.db2.gz	UTVFKCKZAPESPX-CRAIPNDOSA-N	1	0	360.483	1.291	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3snnc3C)CCC[C@@H]12	ZINC001107274067	904293783	/nfs/dbraw/zinc/29/37/83/904293783.db2.gz	NSMNMANWRJJZCH-CXAGYDPISA-N	1	0	363.487	1.123	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)n3cccn3)CCC[C@@H]12	ZINC001107288458	904306034	/nfs/dbraw/zinc/30/60/34/904306034.db2.gz	OJNCBDHZEHGLTM-FRQCXROJSA-N	1	0	359.474	1.107	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCOCC(C)C)CCC[C@@H]12	ZINC001107298878	904344772	/nfs/dbraw/zinc/34/47/72/904344772.db2.gz	XDDAWXPVCXJBOZ-YLJYHZDGSA-N	1	0	365.518	1.712	20	30		FDEDRO
N#CCOc1ccc(C[NH2+]C2CCN(C(=O)[C@]34C[C@H]3COC4)CC2)cc1	ZINC000996607333	904348910	/nfs/dbraw/zinc/34/89/10/904348910.db2.gz	OEBOXDQQHGZJQF-JXFKEZNVSA-N	1	0	355.438	1.706	20	30		FDEDRO
COc1ccc(C[NH2+]C2CCN(C(=O)[C@]34C[C@H]3COC4)CC2)cc1C#N	ZINC000996608987	904408424	/nfs/dbraw/zinc/40/84/24/904408424.db2.gz	UUCMPDVYAJEHFN-JXFKEZNVSA-N	1	0	355.438	1.684	20	30		FDEDRO
C=CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCCS(=O)(=O)N(C)C)CC2	ZINC001107326817	904482424	/nfs/dbraw/zinc/48/24/24/904482424.db2.gz	IKRJWGPSRPITHQ-SJLPKXTDSA-N	1	0	371.547	1.595	20	30		FDEDRO
C=CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCCNS(=O)(=O)CC)CC2	ZINC001107327311	904485874	/nfs/dbraw/zinc/48/58/74/904485874.db2.gz	XRZOIOUOBRRLIJ-SJLPKXTDSA-N	1	0	371.547	1.643	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)CCC(=O)NCC)CCC[C@@H]12	ZINC001107328127	904489438	/nfs/dbraw/zinc/48/94/38/904489438.db2.gz	ZRTZYHFEWYQGLB-VQIMIIECSA-N	1	0	351.491	1.466	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccc(C(N)=O)c1)CC2	ZINC001107336716	904507124	/nfs/dbraw/zinc/50/71/24/904507124.db2.gz	QDGINLVTXXEQGT-JNAXZKDPSA-N	1	0	354.454	1.806	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)C#N)CCC[C@@H]12	ZINC001107338928	904514898	/nfs/dbraw/zinc/51/48/98/904514898.db2.gz	ZGBWKSRXNSRGPO-MBOZVWFJSA-N	1	0	358.486	1.707	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnc(C)nc1)CC2	ZINC001107382115	904653875	/nfs/dbraw/zinc/65/38/75/904653875.db2.gz	YYAIUIBIHPCORQ-YZGWKJHDSA-N	1	0	358.486	1.973	20	30		FDEDRO
CC(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N[C@H](C)C1CC1)CC2	ZINC001107396920	904712797	/nfs/dbraw/zinc/71/27/97/904712797.db2.gz	OWVSYYPZQZQNKZ-HGHGUNKESA-N	1	0	359.514	1.921	20	30		FDEDRO
CC(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H](O)Cn1cccn1)CC2	ZINC001107396927	904712886	/nfs/dbraw/zinc/71/28/86/904712886.db2.gz	PDAOGFQWNLSFAK-NLWGTHIKSA-N	1	0	358.486	1.264	20	30		FDEDRO
CCn1nnc(C)c1C[N@@H+]1CC[C@@]2(CNC(=O)C#CC3CC3)CCC[C@@H]12	ZINC001107398296	904719825	/nfs/dbraw/zinc/71/98/25/904719825.db2.gz	NTNFUZDSKCOAAC-UYAOXDASSA-N	1	0	355.486	1.881	20	30		FDEDRO
CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C#CC3CC3)CCC[C@@H]12	ZINC001107398386	904725085	/nfs/dbraw/zinc/72/50/85/904725085.db2.gz	RYXNJIBRJZBNGD-YRISNDGFSA-N	1	0	359.514	1.921	20	30		FDEDRO
C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCN1CCCC1=O)CC2	ZINC001107402737	904739438	/nfs/dbraw/zinc/73/94/38/904739438.db2.gz	QYUYCEHQPXAOBW-MBOZVWFJSA-N	1	0	361.486	1.008	20	30		FDEDRO
C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccn(C)c(=O)c1)CC2	ZINC001107404896	904748872	/nfs/dbraw/zinc/74/88/72/904748872.db2.gz	UMHHESGRHGBAFN-WIYYLYMNSA-N	1	0	371.481	1.286	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCc2cc(S(=O)(=O)N(CC)CC)ccc21	ZINC000764473124	904757933	/nfs/dbraw/zinc/75/79/33/904757933.db2.gz	SETVOSQUWDWVQF-UHFFFAOYSA-N	1	0	365.499	1.724	20	30		FDEDRO
COCc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@H](OC)C2)cc1	ZINC001081552527	904758512	/nfs/dbraw/zinc/75/85/12/904758512.db2.gz	OREMERQDZVIMAM-RTBURBONSA-N	1	0	368.437	1.662	20	30		FDEDRO
COc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)nn1C	ZINC001080097362	904764390	/nfs/dbraw/zinc/76/43/90/904764390.db2.gz	YBGFIKGQQOJXIA-CXAGYDPISA-N	1	0	353.426	1.551	20	30		FDEDRO
C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCCC1)CC2	ZINC001107401469	904777352	/nfs/dbraw/zinc/77/73/52/904777352.db2.gz	POGWJQNEFQQHCW-YLJYHZDGSA-N	1	0	361.486	1.010	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(C)C1CC1)CC2	ZINC001107401478	904777820	/nfs/dbraw/zinc/77/78/20/904777820.db2.gz	PRHITPNEOZICTQ-XAUMDUMWSA-N	1	0	361.486	1.006	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nccnc1C)CC2	ZINC001107401761	904782287	/nfs/dbraw/zinc/78/22/87/904782287.db2.gz	BOBQHJAWYSPGKL-ILZDJORESA-N	1	0	356.470	1.684	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)NS(=O)(=O)CC)CCC[C@@H]12	ZINC001107413876	904819821	/nfs/dbraw/zinc/81/98/21/904819821.db2.gz	XPAYZOQNVLTXHO-JFIYKMOQSA-N	1	0	371.547	1.641	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(CC)ccn3)CCC[C@@H]12	ZINC001107415101	904825073	/nfs/dbraw/zinc/82/50/73/904825073.db2.gz	YGCWRFKGNCVNPQ-WIYYLYMNSA-N	1	0	370.497	1.921	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCc3ccncn3)CCC[C@@H]12	ZINC001107425773	904841597	/nfs/dbraw/zinc/84/15/97/904841597.db2.gz	PFLGOUOMOMVUMY-UYAOXDASSA-N	1	0	356.470	1.420	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)CCc3ccncn3)CCC[C@@H]12	ZINC001107425868	904841726	/nfs/dbraw/zinc/84/17/26/904841726.db2.gz	TXPONJJXLKUKTK-UYAOXDASSA-N	1	0	358.486	1.973	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)CCNS(C)(=O)=O)CCC[C@@H]12	ZINC001107429205	904863766	/nfs/dbraw/zinc/86/37/66/904863766.db2.gz	ALKIHXVBHDRXQJ-NVXWUHKLSA-N	1	0	357.520	1.253	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C4CC4)n(C)n3)CCC[C@@H]12	ZINC001107429455	904869154	/nfs/dbraw/zinc/86/91/54/904869154.db2.gz	MTXMUGGURMRMOI-TZIWHRDSSA-N	1	0	370.497	1.922	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc4occc4[nH]3)CCC[C@@H]12	ZINC001107424237	904878410	/nfs/dbraw/zinc/87/84/10/904878410.db2.gz	CZOBRGOIVPSBNO-YLJYHZDGSA-N	1	0	368.437	1.485	20	30		FDEDRO
CC[C@H](CC(F)F)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107434331	904892196	/nfs/dbraw/zinc/89/21/96/904892196.db2.gz	RXFRIAGDNDSVFA-HBUWYVDXSA-N	1	0	370.444	1.668	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cn([C@H]3CCOC3)nc2C)[C@H](OC)C1	ZINC001081667327	904908987	/nfs/dbraw/zinc/90/89/87/904908987.db2.gz	WJJPESDITCPUGA-CGTJXYLNSA-N	1	0	362.474	1.548	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)CN3CCN(C)C(=O)C3)CCC[C@@H]12	ZINC001107457670	905024655	/nfs/dbraw/zinc/02/46/55/905024655.db2.gz	IXZIIHGMKUPDGG-YLJYHZDGSA-N	1	0	362.518	1.087	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@@H]1CCN(C)C1=O	ZINC001080288014	905131136	/nfs/dbraw/zinc/13/11/36/905131136.db2.gz	DQNUDWDIWDPSRV-FHLIZLRMSA-N	1	0	370.453	1.004	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC3(CCC3)C2)C[C@H]1OC	ZINC001081811041	905133309	/nfs/dbraw/zinc/13/33/09/905133309.db2.gz	CQBISPRGMVZTGC-CEXWTWQISA-N	1	0	359.514	1.480	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C)c(C)cn3)CCC[C@@H]12	ZINC001107479388	905152587	/nfs/dbraw/zinc/15/25/87/905152587.db2.gz	CJNGGTGNKHWBHF-WIYYLYMNSA-N	1	0	370.497	1.975	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@@]1(F)CCOC1	ZINC001080327500	905162311	/nfs/dbraw/zinc/16/23/11/905162311.db2.gz	VEYCVPCDEMTLLR-LSBZLQRGSA-N	1	0	361.417	1.654	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@]3(COC)CCOC3)CCC[C@@H]12	ZINC001107488723	905212430	/nfs/dbraw/zinc/21/24/30/905212430.db2.gz	VDLQSCNEWNDGBO-MISYRCLQSA-N	1	0	366.502	1.603	20	30		FDEDRO
C=CC(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCNS(=O)(=O)CC)CC2	ZINC001107502386	905257472	/nfs/dbraw/zinc/25/74/72/905257472.db2.gz	GDNHHZAKSOPHTK-CRAIPNDOSA-N	1	0	371.547	1.499	20	30		FDEDRO
CC(C)[C@@H]1CCO[C@@H]1C(=O)NC1CCC([NH+]2CCN(CC#N)CC2)CC1	ZINC000996776382	905301683	/nfs/dbraw/zinc/30/16/83/905301683.db2.gz	MEONOGCGEJILNV-BTRQGYIVSA-N	1	0	362.518	1.616	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCc3ccc(=O)[nH]c3)CCC[C@@H]12	ZINC001107518594	905331469	/nfs/dbraw/zinc/33/14/69/905331469.db2.gz	YSEJWPBTTMXQGZ-WIYYLYMNSA-N	1	0	371.481	1.730	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCNS(C)(=O)=O)CC2	ZINC001107533773	905401927	/nfs/dbraw/zinc/40/19/27/905401927.db2.gz	GBSMCYOFABRVEH-BPQIPLTHSA-N	1	0	371.547	1.499	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)[C@H](OC)C1	ZINC001081956364	905433597	/nfs/dbraw/zinc/43/35/97/905433597.db2.gz	VGWFXVRRPRARTL-YSTOQKLRSA-N	1	0	356.466	1.615	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3conc3C3CC3)CCC[C@@H]12	ZINC001107542033	905459311	/nfs/dbraw/zinc/45/93/11/905459311.db2.gz	WAEZHSTVSBBYBB-DNVCBOLYSA-N	1	0	371.441	1.166	20	30		FDEDRO
COc1cc(=O)[nH]cc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C	ZINC001080463029	905464056	/nfs/dbraw/zinc/46/40/56/905464056.db2.gz	WJGBMVNZHZNKTH-CXAGYDPISA-N	1	0	366.421	1.918	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ocnc3C3CC3)CCC[C@@H]12	ZINC001107547227	905526175	/nfs/dbraw/zinc/52/61/75/905526175.db2.gz	GGYHHMCUAXPXEY-AUUYWEPGSA-N	1	0	371.441	1.166	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]2OC)cc1	ZINC001082014260	905559700	/nfs/dbraw/zinc/55/97/00/905559700.db2.gz	RLYYVPXXBIWPID-RTBURBONSA-N	1	0	369.465	1.109	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(C)C)CC2	ZINC001107553783	905565424	/nfs/dbraw/zinc/56/54/24/905565424.db2.gz	QJQBRXMHSNIPGH-AXVVYFOYSA-N	1	0	363.502	1.463	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)CN3C(=O)Cc4ccccc43)CCC[C@@H]12	ZINC001107558819	905613376	/nfs/dbraw/zinc/61/33/76/905613376.db2.gz	LQDRBSSMOAJJMH-WIYYLYMNSA-N	1	0	351.450	1.570	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)C3CCCCC3)C[C@H]2O)CC1	ZINC001077625245	905695679	/nfs/dbraw/zinc/69/56/79/905695679.db2.gz	XOYMLNFGZAIYOG-GUDVDZBRSA-N	1	0	350.503	1.835	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)C[NH+](CC)CC	ZINC001082090931	905815499	/nfs/dbraw/zinc/81/54/99/905815499.db2.gz	RQHODWRQLZFLNB-KSZLIROESA-N	1	0	365.518	1.807	20	30		FDEDRO
C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)cn1	ZINC001077633216	905870846	/nfs/dbraw/zinc/87/08/46/905870846.db2.gz	HKEOMRGEULCQTE-JCGIZDLHSA-N	1	0	356.470	1.418	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)C[NH+]1CCCC1	ZINC001082103700	905878953	/nfs/dbraw/zinc/87/89/53/905878953.db2.gz	URUVILABQDEPST-KSZLIROESA-N	1	0	363.502	1.561	20	30		FDEDRO
C[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2)C1CCCC1	ZINC001107606166	905950732	/nfs/dbraw/zinc/95/07/32/905950732.db2.gz	ORRXAFZKMYBWJP-WRWLIDTKSA-N	1	0	360.502	1.813	20	30		FDEDRO
CCCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)nn1	ZINC001080683951	905955850	/nfs/dbraw/zinc/95/58/50/905955850.db2.gz	IIQSOOCLTVCDIA-RHSMWYFYSA-N	1	0	352.442	1.810	20	30		FDEDRO
C[C@H]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)CC1	ZINC001107614041	905990874	/nfs/dbraw/zinc/99/08/74/905990874.db2.gz	MZHXGQKCXWXVGY-WOCWXWTJSA-N	1	0	360.502	1.813	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)Cc3nc4ncccn4n3)CCC[C@@H]12	ZINC001107632188	906082682	/nfs/dbraw/zinc/08/26/82/906082682.db2.gz	VIQDOBXSBXIAIY-OXQOHEQNSA-N	1	0	368.485	1.994	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1CCCCN1C(N)=O	ZINC001080756117	906146100	/nfs/dbraw/zinc/14/61/00/906146100.db2.gz	JAYACRVRWNXBCA-OLMNPRSZSA-N	1	0	369.469	1.428	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)Cn3c(C)c(C)sc3=O)CCC[C@@H]12	ZINC001107644669	906167274	/nfs/dbraw/zinc/16/72/74/906167274.db2.gz	DVMHGHXJRJQXOQ-VQIMIIECSA-N	1	0	361.511	1.911	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(N(C)C)cn3)CCC[C@@H]12	ZINC001107647166	906269919	/nfs/dbraw/zinc/26/99/19/906269919.db2.gz	HVCNFSMWHGLQHA-TZIWHRDSSA-N	1	0	370.497	1.772	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cccn(C(C)(C)C)c2=O)[C@H](OC)C1	ZINC001082212761	906296447	/nfs/dbraw/zinc/29/64/47/906296447.db2.gz	DOQUCHMNOFMDHO-IAGOWNOFSA-N	1	0	361.486	1.999	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc4nonc4c3)C[C@H]2C)cn1	ZINC001080809451	906316357	/nfs/dbraw/zinc/31/63/57/906316357.db2.gz	RWLKSSRGDGMBDR-BFUOFWGJSA-N	1	0	361.405	1.849	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cc3ccc(OC)cc3)C2)C1=O	ZINC001080837717	906353325	/nfs/dbraw/zinc/35/33/25/906353325.db2.gz	OOJJMGCDFJJQJH-ATZDWAIDSA-N	1	0	371.481	1.461	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[C@@H]1CCCCC(=O)N1	ZINC001080848993	906436211	/nfs/dbraw/zinc/43/62/11/906436211.db2.gz	GWDULQKFVYRALL-AYOQOUSVSA-N	1	0	368.481	1.944	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cc2ccccc2NC(C)=O)[C@H](OC)C1	ZINC001082254445	906483647	/nfs/dbraw/zinc/48/36/47/906483647.db2.gz	YHFIIDSIJZGVEV-RTBURBONSA-N	1	0	359.470	1.969	20	30		FDEDRO
C=C(C)CCC(=O)N1CCC(CO)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1	ZINC001080877682	906565486	/nfs/dbraw/zinc/56/54/86/906565486.db2.gz	INMPPCKEYISRSS-DLBZAZTESA-N	1	0	365.518	1.543	20	30		FDEDRO
C=C(C)CCC(=O)N1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001080878060	906569099	/nfs/dbraw/zinc/56/90/99/906569099.db2.gz	YFMLHAYXRGDTGF-HZPDHXFCSA-N	1	0	351.491	1.153	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCN(c2cccc(CNC(=O)[C@@H]3CCO[C@H]3CC)n2)C1	ZINC001127838576	906572079	/nfs/dbraw/zinc/57/20/79/906572079.db2.gz	AATIJLMJESGZOT-QRVBRYPASA-N	1	0	370.497	1.705	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cnn(-c3nccs3)c2)[C@H](OC)C1	ZINC001082319446	906654023	/nfs/dbraw/zinc/65/40/23/906654023.db2.gz	VEBTVHAYZWTBND-HUUCEWRRSA-N	1	0	361.471	1.724	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](OC)C3CCC3)C[C@H]2OC)nc1	ZINC001082333721	906827537	/nfs/dbraw/zinc/82/75/37/906827537.db2.gz	WJSFRHCWYCNRDN-GUDVDZBRSA-N	1	0	357.454	1.307	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC([NH2+]Cc2ccccc2C#N)CC1	ZINC000997007421	906906055	/nfs/dbraw/zinc/90/60/55/906906055.db2.gz	QHSMZSPUCGRHPH-MSOLQXFVSA-N	1	0	354.454	1.363	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2nnc(C3CC3)n2C)CC1	ZINC000997012719	906929399	/nfs/dbraw/zinc/92/93/99/906929399.db2.gz	VYCWNWAMBJKTQM-CVEARBPZSA-N	1	0	359.474	1.364	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccc(Cl)cc2)C[C@H]1O	ZINC001077699023	906969323	/nfs/dbraw/zinc/96/93/23/906969323.db2.gz	MJOIWXXZCYZGIO-TVFCKZIOSA-N	1	0	364.873	1.635	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ncnn2C(C)C)CC1	ZINC000997080092	907198811	/nfs/dbraw/zinc/19/88/11/907198811.db2.gz	LQJNPSJDOYKOSO-WMZOPIPTSA-N	1	0	361.490	1.921	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(=O)[nH]c(C3CC3)n2)C[C@H]1c1ccccc1	ZINC001081132126	907230749	/nfs/dbraw/zinc/23/07/49/907230749.db2.gz	JGMJAVFFBPZCKR-FUHWJXTLSA-N	1	0	362.433	1.891	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccc(C(N)=O)cc2)CC1	ZINC000997085220	907259181	/nfs/dbraw/zinc/25/91/81/907259181.db2.gz	PVCBUKHWTXJQDR-OALUTQOASA-N	1	0	371.481	1.847	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@H]1c1ccccc1	ZINC001081148453	907260454	/nfs/dbraw/zinc/26/04/54/907260454.db2.gz	KKHQXKDRLSEUGR-FCEWJHQRSA-N	1	0	361.873	1.849	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nnc(CC)n2C)CC1	ZINC000997086280	907263378	/nfs/dbraw/zinc/26/33/78/907263378.db2.gz	YRFPFIYPUJJNPC-YJBOKZPZSA-N	1	0	361.490	1.439	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3nnn(C)c3C2)C[C@H]1c1ccccc1	ZINC001081168122	907289950	/nfs/dbraw/zinc/28/99/50/907289950.db2.gz	ICQYNQFBFZGQAU-ZIFCJYIRSA-N	1	0	365.481	1.690	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccnc3nc(C)nn32)C[C@H]1c1ccccc1	ZINC001081213544	907320895	/nfs/dbraw/zinc/32/08/95/907320895.db2.gz	CPTVDWCXTRNSMO-DLBZAZTESA-N	1	0	362.437	1.817	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CN2CCc3sccc3C2)[C@H](OC)C1	ZINC001082381824	907356679	/nfs/dbraw/zinc/35/66/79/907356679.db2.gz	BXAMDAIHDDSRDN-IAGOWNOFSA-N	1	0	363.527	1.888	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cn3cc(C)cn3)C[C@H]2C)cc1C#N	ZINC001082439585	907771084	/nfs/dbraw/zinc/77/10/84/907771084.db2.gz	CGMHBAKSSDSGHJ-CRAIPNDOSA-N	1	0	367.453	1.709	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082456625	907855954	/nfs/dbraw/zinc/85/59/54/907855954.db2.gz	UECXGZCUEOGQTI-RDTXWAMCSA-N	1	0	353.426	1.491	20	30		FDEDRO
COc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)on1	ZINC001082484568	907911251	/nfs/dbraw/zinc/91/12/51/907911251.db2.gz	RQRJSAHUEPUSAO-CZUORRHYSA-N	1	0	370.409	1.836	20	30		FDEDRO
Cc1cc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(C#N)ccc3F)C2)[nH]n1	ZINC001082470760	907914871	/nfs/dbraw/zinc/91/48/71/907914871.db2.gz	ABJIHQFBNIJCLF-KZULUSFZSA-N	1	0	355.417	1.908	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]Cc1ccc2c(c1)nnn2C	ZINC001082480246	907948831	/nfs/dbraw/zinc/94/88/31/907948831.db2.gz	RMJZFBDXRSUYHF-SJKOYZFVSA-N	1	0	363.425	1.418	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1	ZINC001082480252	907948919	/nfs/dbraw/zinc/94/89/19/907948919.db2.gz	RTPISGDXNQZCJL-SJKOYZFVSA-N	1	0	351.410	1.236	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1)n1cncn1	ZINC001082481617	907955736	/nfs/dbraw/zinc/95/57/36/907955736.db2.gz	GDYBFCYJNXCKME-IIDMSEBBSA-N	1	0	368.441	1.378	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)n3cncn3)C[C@H]2C)cc1C#N	ZINC001082481600	907955808	/nfs/dbraw/zinc/95/58/08/907955808.db2.gz	FQAUMQXLXLSMLI-JKIFEVAISA-N	1	0	368.441	1.356	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cn([C@H]3CCOC3)nc2C)C[C@H]1C	ZINC001082511775	908047911	/nfs/dbraw/zinc/04/79/11/908047911.db2.gz	PSAUSVXDABISNP-DIOULYMOSA-N	1	0	352.866	1.956	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(=O)[nH]n2)cc1	ZINC001085126755	921384122	/nfs/dbraw/zinc/38/41/22/921384122.db2.gz	VFVDSQXBHSILOB-HZPDHXFCSA-N	1	0	351.410	1.885	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)Cn2cccc(C)c2=O)C[C@H]1C	ZINC001082508994	908163446	/nfs/dbraw/zinc/16/34/46/908163446.db2.gz	IYPSBHXFONXPRV-TZMCWYRMSA-N	1	0	368.275	1.502	20	30		FDEDRO
COc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)ncn1	ZINC001082514747	908176036	/nfs/dbraw/zinc/17/60/36/908176036.db2.gz	ADMJXAVSGZAPJK-SJKOYZFVSA-N	1	0	369.400	1.746	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccnc(OC)n2)C1	ZINC001082519043	908206689	/nfs/dbraw/zinc/20/66/89/908206689.db2.gz	PUQIATLAQWKMRU-DZUCGIPZSA-N	1	0	360.458	1.403	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](OC)C2CC2)CC1	ZINC000997358345	908316770	/nfs/dbraw/zinc/31/67/70/908316770.db2.gz	ZDHRSLHGLGZWIJ-XWSJACJDSA-N	1	0	373.497	1.005	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(C#N)[nH]1	ZINC000997361811	908332417	/nfs/dbraw/zinc/33/24/17/908332417.db2.gz	BKSIXOLABRIPFX-LAVFITLUSA-N	1	0	369.469	1.622	20	30		FDEDRO
C=CCCCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1	ZINC001107951244	908362338	/nfs/dbraw/zinc/36/23/38/908362338.db2.gz	KKSLNPPONXJOPE-HLIPFELVSA-N	1	0	365.518	1.855	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1)N1C(=O)CCC1=O	ZINC001082543866	908428713	/nfs/dbraw/zinc/42/87/13/908428713.db2.gz	UHOOINJTAORWBM-CKEIUWERSA-N	1	0	368.437	1.032	20	30		FDEDRO
CCn1nnc(C)c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1	ZINC001082555372	908554811	/nfs/dbraw/zinc/55/48/11/908554811.db2.gz	GCBBEAYITPYTJD-SJKOYZFVSA-N	1	0	370.432	1.868	20	30		FDEDRO
CC[C@]1(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)CCNC1=O	ZINC001082572234	908572007	/nfs/dbraw/zinc/57/20/07/908572007.db2.gz	TYZRHAGYNDDBGE-ZTQAJYAQSA-N	1	0	354.454	1.411	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082575806	908739872	/nfs/dbraw/zinc/73/98/72/908739872.db2.gz	BJIJMCDNQRNRLB-FHLIZLRMSA-N	1	0	370.453	1.052	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCNC(=O)C2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082589638	908840868	/nfs/dbraw/zinc/84/08/68/908840868.db2.gz	JEZNOUBWIRHTHU-WIBUTAKZSA-N	1	0	354.454	1.411	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCNC(=O)C2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082589801	908841923	/nfs/dbraw/zinc/84/19/23/908841923.db2.gz	OUQZXMQKUDKYAO-CDHAZOANSA-N	1	0	360.483	1.473	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CCNC(=O)C2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082589749	908842843	/nfs/dbraw/zinc/84/28/43/908842843.db2.gz	NGZKAKCYIPITLT-ZTQAJYAQSA-N	1	0	354.454	1.411	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3cncn3C2)C[C@H]1C	ZINC001082604721	908927878	/nfs/dbraw/zinc/92/78/78/908927878.db2.gz	ZLGKCDNHQJFBFM-OSAQELSMSA-N	1	0	367.291	1.791	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ncc(F)cc3F)C[C@H]2C)C1=O	ZINC001082597105	908941566	/nfs/dbraw/zinc/94/15/66/908941566.db2.gz	BHAGKHCCJNVIOX-KCPJHIHWSA-N	1	0	364.396	1.197	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCN(C)C2=O)C1	ZINC001082599882	908960499	/nfs/dbraw/zinc/96/04/99/908960499.db2.gz	PGIKRFTUIQDKKX-HYVNUMGLSA-N	1	0	357.454	1.532	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cnc4ccccn43)C[C@H]2C)C1=O	ZINC001082606431	909027216	/nfs/dbraw/zinc/02/72/16/909027216.db2.gz	BPJVMNZMOBYQFK-OWCLPIDISA-N	1	0	367.453	1.171	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1CN(Cc2cnc(C)o2)C[C@H]1OC)OCC	ZINC001212354562	909068481	/nfs/dbraw/zinc/06/84/81/909068481.db2.gz	AWLGMCXKSMMERS-IXDOHACOSA-N	1	0	351.447	1.670	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccc(C)c(C)n3)C[C@H]2C)C1=O	ZINC001082646088	909310440	/nfs/dbraw/zinc/31/04/40/909310440.db2.gz	SZSXPWQENXIRAH-FHLIZLRMSA-N	1	0	356.470	1.535	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2nn3c(c2C)OCCC3)[C@H](OC)C1	ZINC001212373325	909323674	/nfs/dbraw/zinc/32/36/74/909323674.db2.gz	HLHFNPDRTRGXDP-FVQBIDKESA-N	1	0	362.474	1.758	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc4ncccc4o3)C[C@H]2C)C1=O	ZINC001082649503	909347329	/nfs/dbraw/zinc/34/73/29/909347329.db2.gz	VCHQIDSMEDDVCW-IJEWVQPXSA-N	1	0	368.437	1.665	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2[C@H]2CCOC2)C[C@H]1C	ZINC001082667442	909469139	/nfs/dbraw/zinc/46/91/39/909469139.db2.gz	ACHQYUHBQAWTQS-OSAQELSMSA-N	1	0	352.866	1.727	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2ccnc2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082673316	909512290	/nfs/dbraw/zinc/51/22/90/909512290.db2.gz	FHLSHFROWPJGEX-RDTXWAMCSA-N	1	0	355.417	1.921	20	30		FDEDRO
O=C(C#CC1CC1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2	ZINC000997821204	909773529	/nfs/dbraw/zinc/77/35/29/909773529.db2.gz	AYIMMKSKCUNZHE-SQNIBIBYSA-N	1	0	355.482	1.524	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccc(Cl)[nH]3)C[C@H]2C)C1=O	ZINC001082726528	909852278	/nfs/dbraw/zinc/85/22/78/909852278.db2.gz	JFLJFTKPHHPXSO-MRVWCRGKSA-N	1	0	350.850	1.505	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C)CC1	ZINC000765781353	909983018	/nfs/dbraw/zinc/98/30/18/909983018.db2.gz	HIMJBIOWDBYDKQ-NSHDSACASA-N	1	0	360.405	1.639	20	30		FDEDRO
C#CCC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@@H]1CCO[C@H]1C1CC1)CC2	ZINC001128011902	910033993	/nfs/dbraw/zinc/03/39/93/910033993.db2.gz	FTVPHURUPWWULK-FCEWJHQRSA-N	1	0	371.485	1.027	20	30		FDEDRO
COc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)n1	ZINC001082785433	910063079	/nfs/dbraw/zinc/06/30/79/910063079.db2.gz	BRKMHMQNRXMARX-CXAGYDPISA-N	1	0	351.410	1.607	20	30		FDEDRO
Cc1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C)C#N)ccc2c[nH+]cn21	ZINC000997984894	910114874	/nfs/dbraw/zinc/11/48/74/910114874.db2.gz	YEDXEEIMGWYFGA-AQMVCYDESA-N	1	0	351.410	1.664	20	30		FDEDRO
COc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3F)C2)n1	ZINC001082785630	910129421	/nfs/dbraw/zinc/12/94/21/910129421.db2.gz	RXWXCNCHURXSJO-SJKOYZFVSA-N	1	0	369.400	1.746	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnc3cccnn32)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082790948	910191610	/nfs/dbraw/zinc/19/16/10/910191610.db2.gz	XONSXZUTKFYINR-RHSMWYFYSA-N	1	0	360.421	1.851	20	30		FDEDRO
CC(C)c1nnnn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001082792615	910196948	/nfs/dbraw/zinc/19/69/48/910196948.db2.gz	DIWXKCIYOYFJQU-RHSMWYFYSA-N	1	0	367.457	1.305	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(C#N)[nH]1	ZINC000998065098	910262200	/nfs/dbraw/zinc/26/22/00/910262200.db2.gz	UOUWBEVOQHREDG-BSWAZPDLSA-N	1	0	355.442	1.232	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nn(C)cc2Cl)CC1	ZINC000998095082	910325102	/nfs/dbraw/zinc/32/51/02/910325102.db2.gz	PMAQRICOOPOSIA-PBHICJAKSA-N	1	0	366.893	1.993	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1C	ZINC001082823104	910329015	/nfs/dbraw/zinc/32/90/15/910329015.db2.gz	HPCWJZQTCIJRSK-CZUORRHYSA-N	1	0	353.426	1.469	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cnc(OC)nc2)C[C@H]1C	ZINC001082837842	910371234	/nfs/dbraw/zinc/37/12/34/910371234.db2.gz	GYFBTXVJXRSMIG-BXKDBHETSA-N	1	0	355.236	1.444	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cnn4c3CCCC4)C[C@H]2C)C1=O	ZINC001082843368	910408457	/nfs/dbraw/zinc/40/84/57/910408457.db2.gz	BPQYWYQFIVHOIE-DJIMGWMZSA-N	1	0	371.485	1.056	20	30		FDEDRO
CC(=O)N1CC[C@@](C)(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)C1	ZINC001082846800	910426376	/nfs/dbraw/zinc/42/63/76/910426376.db2.gz	KMASSLXRKRBCRE-QFIXIFRTSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CCC[N@H+](CCn2cncn2)CC1	ZINC000998132190	910431013	/nfs/dbraw/zinc/43/10/13/910431013.db2.gz	ZJPQFXVZKDHMQC-KURKYZTESA-N	1	0	361.490	1.572	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCC[C@H](C)C3)C2)nc1	ZINC001082869242	910512902	/nfs/dbraw/zinc/51/29/02/910512902.db2.gz	ZHGIFBCMCHKGEJ-FRQCXROJSA-N	1	0	368.481	1.372	20	30		FDEDRO
COc1cc[nH]c(=O)c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001082865331	910543477	/nfs/dbraw/zinc/54/34/77/910543477.db2.gz	HFLGRJNGKTULBU-CZUORRHYSA-N	1	0	366.421	1.918	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ncccc3Cl)C[C@H]2C)C1=O	ZINC001082873836	910565680	/nfs/dbraw/zinc/56/56/80/910565680.db2.gz	RQQMLXCJHDUFNF-VHDGCEQUSA-N	1	0	362.861	1.572	20	30		FDEDRO
CC(=O)N1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001082873068	910585013	/nfs/dbraw/zinc/58/50/13/910585013.db2.gz	RZKACEAKCWVWKR-ZMYBRWDISA-N	1	0	354.454	1.506	20	30		FDEDRO
C#CC[NH2+]CC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000727238609	910655748	/nfs/dbraw/zinc/65/57/48/910655748.db2.gz	JCUXGZCXIURKQK-UHFFFAOYSA-N	1	0	370.331	1.485	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCc3ncnn32)C1	ZINC001082884780	910663493	/nfs/dbraw/zinc/66/34/93/910663493.db2.gz	FSVSIKZOBQNDPR-ATZDWAIDSA-N	1	0	363.465	1.426	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082911610	910855604	/nfs/dbraw/zinc/85/56/04/910855604.db2.gz	KYLXHZAHLOLXDA-RDTXWAMCSA-N	1	0	368.412	1.496	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CCc3nccs3)C[C@H]2C)C1=O	ZINC001082929835	910947279	/nfs/dbraw/zinc/94/72/79/910947279.db2.gz	VJDDLSGSQIOHPB-RBSFLKMASA-N	1	0	362.499	1.299	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)c2C)C[C@H]1O	ZINC001077821845	911141876	/nfs/dbraw/zinc/14/18/76/911141876.db2.gz	JUWSEVNFFQUGQQ-XFKSJGNHSA-N	1	0	374.481	1.646	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3nonc3C)C[C@H]2C)cc1C#N	ZINC001082959532	911155295	/nfs/dbraw/zinc/15/52/95/911155295.db2.gz	UFBZVSYLJNRNBG-IAQYHMDHSA-N	1	0	355.398	1.509	20	30		FDEDRO
N#Cc1ccccc1OCC(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1	ZINC000921667260	911177450	/nfs/dbraw/zinc/17/74/50/911177450.db2.gz	NTPNYYQRILRMRW-UHFFFAOYSA-N	1	0	357.410	1.223	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2	ZINC000998567055	911245385	/nfs/dbraw/zinc/24/53/85/911245385.db2.gz	NYGQTDGRCZJWKY-ZBRFXRBCSA-N	1	0	373.497	1.454	20	30		FDEDRO
COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@]34C[C@H]3COC4)C2)cc1C#N	ZINC000998795937	911697525	/nfs/dbraw/zinc/69/75/25/911697525.db2.gz	AIVFLGVOCXASFN-QVUWHDNHSA-N	1	0	355.438	1.682	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCc2nnc(C[NH2+]CCCF)n2CC1	ZINC001128040713	911935091	/nfs/dbraw/zinc/93/50/91/911935091.db2.gz	UCZUGYAEFGUMJN-ZNMIVQPWSA-N	1	0	365.453	1.140	20	30		FDEDRO
C#CCNC(=O)COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1	ZINC000733531543	921710604	/nfs/dbraw/zinc/71/06/04/921710604.db2.gz	PYWSPLPTFIVEMO-KRWDZBQOSA-N	1	0	368.355	1.734	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCN(C)c4ccccc43)[C@H]2C1	ZINC001083109434	912075016	/nfs/dbraw/zinc/07/50/16/912075016.db2.gz	YKXDMFWHNWUQHH-YZGWKJHDSA-N	1	0	353.466	1.545	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cncnc2C)C1=O	ZINC001085142123	921731206	/nfs/dbraw/zinc/73/12/06/921731206.db2.gz	KDRHBQZVDCOGFQ-ZACQAIPSSA-N	1	0	357.458	1.203	20	30		FDEDRO
Cn1cncc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21	ZINC001084490596	914961909	/nfs/dbraw/zinc/96/19/09/914961909.db2.gz	GYBAGQZERDINGR-VQIMIIECSA-N	1	0	365.437	1.669	20	30		FDEDRO
C[C@]1(C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)CCC(=O)NC1	ZINC001084596727	915580334	/nfs/dbraw/zinc/58/03/34/915580334.db2.gz	PVJDZKJSYVUCAW-OPYAIIAOSA-N	1	0	366.465	1.507	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3CC[N@H+](C[C@@H]4CCNC(=O)CC4)C[C@H]32)c1	ZINC001084648169	915828231	/nfs/dbraw/zinc/82/82/31/915828231.db2.gz	YJHRSKXLTDBRSC-YQVWRLOYSA-N	1	0	366.465	1.126	20	30		FDEDRO
C=C(Br)CN1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1	ZINC001084660905	915944787	/nfs/dbraw/zinc/94/47/87/915944787.db2.gz	YRYAPLJTAMPIPM-RRFJBIMHSA-N	1	0	356.308	1.912	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCn3cccn3)C[C@H]21	ZINC001084712782	916445973	/nfs/dbraw/zinc/44/59/73/916445973.db2.gz	VLJLJUREDRTBNF-HCXYKTFWSA-N	1	0	358.486	1.787	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCCCO3)C[C@H]21	ZINC001084783507	917120556	/nfs/dbraw/zinc/12/05/56/917120556.db2.gz	UUJYWOXWCCKFJC-ZHALLVOQSA-N	1	0	369.465	1.809	20	30		FDEDRO
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1	ZINC000731027107	917637136	/nfs/dbraw/zinc/63/71/36/917637136.db2.gz	POXWYXKCBCATKT-HUUCEWRRSA-N	1	0	358.446	1.856	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4cnc(C)nc4)C[C@H]32)CC1	ZINC001084851155	917658937	/nfs/dbraw/zinc/65/89/37/917658937.db2.gz	PBUUHFVQXFSFQA-WOJBJXKFSA-N	1	0	367.497	1.163	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000731123112	917734994	/nfs/dbraw/zinc/73/49/94/917734994.db2.gz	FNDQDHQARRCPCF-IYBDPMFKSA-N	1	0	373.453	1.253	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1	ZINC000731126638	917772376	/nfs/dbraw/zinc/77/23/76/917772376.db2.gz	XVPUDLPGLALUOR-GOSISDBHSA-N	1	0	373.453	1.110	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4COCCO4)C[C@@H]32)s1	ZINC001084894471	918074359	/nfs/dbraw/zinc/07/43/59/918074359.db2.gz	KMNWGJUACFEGRC-COXVUDFISA-N	1	0	361.467	1.458	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cncs4)C[C@@H]32)C1=O	ZINC001084898598	918097398	/nfs/dbraw/zinc/09/73/98/918097398.db2.gz	XMVDKURMSRRQNV-KKUMJFAQSA-N	1	0	360.483	1.466	20	30		FDEDRO
CC(C)CCNC(=S)NN=C1CC[NH+](CCN2CCOCC2)CC1	ZINC000731558668	918198178	/nfs/dbraw/zinc/19/81/78/918198178.db2.gz	DWYYSMATCYFXKD-UHFFFAOYSA-N	1	0	355.552	1.281	20	30		FDEDRO
CN1CCOC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@H]2C1	ZINC001084925012	918351886	/nfs/dbraw/zinc/35/18/86/918351886.db2.gz	GKZYNALJQWRLPU-HSALFYBXSA-N	1	0	368.481	1.312	20	30		FDEDRO
CN1CCOC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@H]2C1	ZINC001084925356	918356661	/nfs/dbraw/zinc/35/66/61/918356661.db2.gz	VDYMGFRLNZNQPS-LSTHTHJFSA-N	1	0	368.481	1.312	20	30		FDEDRO
Cn1ncc(C(=O)N2CC[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)[C@H]3C2)c1N	ZINC001084926160	918393357	/nfs/dbraw/zinc/39/33/57/918393357.db2.gz	JWGJFXWMGKFJIE-AEFFLSMTSA-N	1	0	364.453	1.611	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)C[C@@H]21	ZINC001084938795	918595775	/nfs/dbraw/zinc/59/57/75/918595775.db2.gz	GERLRDOXHAGZLB-VYDXJSESSA-N	1	0	357.458	1.262	20	30		FDEDRO
O=C(N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1)[C@]12C[C@H]1COC2	ZINC001084945066	918622975	/nfs/dbraw/zinc/62/29/75/918622975.db2.gz	FHFSUAHEWOALIV-AQCRLBJHSA-N	1	0	350.462	1.997	20	30		FDEDRO
CN1CCN(C(=O)CC2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)CC1	ZINC000731846866	918676797	/nfs/dbraw/zinc/67/67/97/918676797.db2.gz	QGGANYDHIBZBNO-UHFFFAOYSA-N	1	0	370.497	1.965	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@]3(C4CCCC4)CCNC3=O)C[C@@H]21	ZINC001084961734	918866718	/nfs/dbraw/zinc/86/67/18/918866718.db2.gz	WTFPOKYGPFQKGW-PLMTUMEDSA-N	1	0	357.498	1.629	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3sccc3-n3cnnn3)C[C@@H]21	ZINC001084980175	919137349	/nfs/dbraw/zinc/13/73/49/919137349.db2.gz	AYPKMECIPLVBJC-HIFRSBDPSA-N	1	0	356.455	1.284	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3coc4c3C(=O)NCCC4)C[C@@H]21	ZINC001084994378	919331478	/nfs/dbraw/zinc/33/14/78/919331478.db2.gz	PDOQJNHGWOUAIP-ZBFHGGJFSA-N	1	0	355.438	1.515	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cncc(-n4ccnn4)c3)C[C@@H]21	ZINC001084997784	919441773	/nfs/dbraw/zinc/44/17/73/919441773.db2.gz	ZHKLYYFMJQUCIB-QAPCUYQASA-N	1	0	352.442	1.775	20	30		FDEDRO
Cc1n[nH]nc1C(=O)N1CC[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@H]2C1	ZINC001085003900	919530546	/nfs/dbraw/zinc/53/05/46/919530546.db2.gz	ZJRDVGQQCHBMJZ-SJORKVTESA-N	1	0	350.426	1.721	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4conc4C)C[C@@H]32)C1=O	ZINC001085022260	919769514	/nfs/dbraw/zinc/76/95/14/919769514.db2.gz	PVSSMJSCBGGEKJ-XIRDDKMYSA-N	1	0	358.442	1.306	20	30		FDEDRO
N#C[C@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CCN1C1CC1	ZINC000732664448	919943104	/nfs/dbraw/zinc/94/31/04/919943104.db2.gz	JPFNWKOYMLIMKL-HKUYNNGSSA-N	1	0	353.470	1.492	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)c1	ZINC000732705887	919999317	/nfs/dbraw/zinc/99/93/17/919999317.db2.gz	KIZTYNBCJJPBCD-UHFFFAOYSA-N	1	0	373.453	1.206	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3CC[N@H+](C[C@H]4CCCOC4)[C@H]3C2)nn1	ZINC001085051908	920099889	/nfs/dbraw/zinc/09/98/89/920099889.db2.gz	QHUXXKGVJVLFGI-NUJGCVRESA-N	1	0	359.474	1.427	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3c[nH]nc3-c3cnn(C)c3)C[C@@H]21	ZINC001085071508	920475359	/nfs/dbraw/zinc/47/53/59/920475359.db2.gz	PPSWVTSJYJWQSI-PBHICJAKSA-N	1	0	354.458	1.923	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](CCc4cnn(C)c4)[C@H]3C2)nc1	ZINC001085078343	920542228	/nfs/dbraw/zinc/54/22/28/920542228.db2.gz	OCEXZHOGNZBBMF-QUCCMNQESA-N	1	0	363.465	1.576	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C(=O)N(C)C)cc3)C[C@@H]21	ZINC001085077624	920578031	/nfs/dbraw/zinc/57/80/31/920578031.db2.gz	RLINSYAEGOZLMD-APWZRJJASA-N	1	0	353.466	1.948	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3C(=O)N(C)C)C[C@@H]21	ZINC001085077506	920578273	/nfs/dbraw/zinc/57/82/73/920578273.db2.gz	GVLDUWSLDZJTBD-APWZRJJASA-N	1	0	353.466	1.948	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3c(C(F)(F)F)cnn3C)C[C@@H]21	ZINC001085085309	920676698	/nfs/dbraw/zinc/67/66/98/920676698.db2.gz	LJCBMBHLBDSBLV-OCCSQVGLSA-N	1	0	354.376	1.999	20	30		FDEDRO
CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000733166057	920715149	/nfs/dbraw/zinc/71/51/49/920715149.db2.gz	OFKIFFHDHRFXHX-INIZCTEOSA-N	1	0	366.487	1.195	20	30		FDEDRO
C=C[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N(C)C)[C@H]2C1)c1ccccc1	ZINC001085099254	920901369	/nfs/dbraw/zinc/90/13/69/920901369.db2.gz	KMSNHGILPXSDTM-QRVBRYPASA-N	1	0	355.482	1.967	20	30		FDEDRO
Cc1nonc1C(=O)N1CC[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@H]2C1	ZINC001085106301	920982333	/nfs/dbraw/zinc/98/23/33/920982333.db2.gz	ITETYVPBTYIPPN-SJORKVTESA-N	1	0	351.410	1.986	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1nccnc1N	ZINC001085154749	921845792	/nfs/dbraw/zinc/84/57/92/921845792.db2.gz	JPVFFOZVCSZRBD-HZPDHXFCSA-N	1	0	350.426	1.761	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc(C3CC3)[nH]2)c1	ZINC001085164254	921913085	/nfs/dbraw/zinc/91/30/85/921913085.db2.gz	XTCLORHQHSRKSS-ZIAGYGMSSA-N	1	0	353.430	1.713	20	30		FDEDRO
C[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1)n1cncn1	ZINC001085175683	922000190	/nfs/dbraw/zinc/00/01/90/922000190.db2.gz	XLNKPSPGSLBNKJ-ZTFGCOKTSA-N	1	0	352.442	1.928	20	30		FDEDRO
C=CCCCC(=O)N1CCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001065550097	922350848	/nfs/dbraw/zinc/35/08/48/922350848.db2.gz	DUOSIXQCTYLMMI-IXDOHACOSA-N	1	0	351.491	1.417	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(c4nc(C)cc(C#N)n4)C[C@H]3C2)CC[N@@H+]1C	ZINC001066079996	922552387	/nfs/dbraw/zinc/55/23/87/922552387.db2.gz	ZLHWFABSIWDDSN-CIRFHOKZSA-N	1	0	368.485	1.282	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3c2cnc(C#N)cn2)CC[N@@H+]1C	ZINC001066202071	922622754	/nfs/dbraw/zinc/62/27/54/922622754.db2.gz	IKEPTVPFJGHAIY-SIXLDLHFSA-N	1	0	354.458	1.258	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[C@@H]2CCC(=O)NC2)cc1	ZINC001085222900	922929177	/nfs/dbraw/zinc/92/91/77/922929177.db2.gz	PIXMLFNJHDMLBQ-IPMKNSEASA-N	1	0	368.481	1.992	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O	ZINC001085225548	922941474	/nfs/dbraw/zinc/94/14/74/922941474.db2.gz	APKLANIFRGVPLM-HZPDHXFCSA-N	1	0	359.474	1.330	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc3n(n2)CCO3)c1	ZINC001085226658	922951169	/nfs/dbraw/zinc/95/11/69/922951169.db2.gz	LCUWUXLVRLCORA-IAGOWNOFSA-N	1	0	365.437	1.978	20	30		FDEDRO
Cn1cnc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)cc1=O	ZINC001085230189	922987544	/nfs/dbraw/zinc/98/75/44/922987544.db2.gz	IAOPFFHQZCNJON-IAGOWNOFSA-N	1	0	365.437	1.483	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)NCCCC[NH+]1CCN(C)CC1	ZINC000734163549	922998774	/nfs/dbraw/zinc/99/87/74/922998774.db2.gz	FRDQYVNNFBOURB-UHFFFAOYSA-N	1	0	358.486	1.525	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnc[nH]c1=O	ZINC001085238383	923066537	/nfs/dbraw/zinc/06/65/37/923066537.db2.gz	LMMQZENXNGRETI-VXGBXAGGSA-N	1	0	355.236	1.721	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000734277946	923157645	/nfs/dbraw/zinc/15/76/45/923157645.db2.gz	NHFXPDCUODRECO-SFHVURJKSA-N	1	0	370.497	1.666	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccn2)CCC1=NNC(=S)NC[C@@H]1CCCO1	ZINC000734363105	923259740	/nfs/dbraw/zinc/25/97/40/923259740.db2.gz	GAZGNHKFKIYWOV-HOCLYGCPSA-N	1	0	361.515	1.923	20	30		FDEDRO
Cn1c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2F)c[nH]c1=O	ZINC001085297122	923625257	/nfs/dbraw/zinc/62/52/57/923625257.db2.gz	FPFJGHLVDMHTDQ-HZPDHXFCSA-N	1	0	371.416	1.967	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCNC1=O	ZINC001085296327	923658478	/nfs/dbraw/zinc/65/84/78/923658478.db2.gz	YOUFVFYENWFZEJ-GVDBMIGSSA-N	1	0	358.417	1.350	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(C(N)=O)[nH]2)cc1	ZINC001085333907	923965324	/nfs/dbraw/zinc/96/53/24/923965324.db2.gz	MYNKLPYCRFIHAF-HZPDHXFCSA-N	1	0	365.437	1.816	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(C)n1CC	ZINC001085335767	923975678	/nfs/dbraw/zinc/97/56/78/923975678.db2.gz	NRRIRGWCEPLDQZ-VQHPVUNQSA-N	1	0	361.490	1.715	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2CCOCC2)nn1	ZINC001085357253	924185558	/nfs/dbraw/zinc/18/55/58/924185558.db2.gz	KTQDLFKBHRUSOL-IAGOWNOFSA-N	1	0	361.490	1.911	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(C)[nH]1	ZINC001085389019	924402768	/nfs/dbraw/zinc/40/27/68/924402768.db2.gz	NXIFAHHDHOBMBU-HUUCEWRRSA-N	1	0	370.457	1.904	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCN(CC=C)C2=O)cn1	ZINC001085399025	924451017	/nfs/dbraw/zinc/45/10/17/924451017.db2.gz	MLSJSXRMQQKPGS-QRVBRYPASA-N	1	0	366.465	1.480	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cn(C)nc2C)cn1	ZINC001085399207	924452122	/nfs/dbraw/zinc/45/21/22/924452122.db2.gz	WWMZDNFSVFUSCH-RTBURBONSA-N	1	0	351.454	1.936	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NCc2nncs2)CC1	ZINC001085432840	924680276	/nfs/dbraw/zinc/68/02/76/924680276.db2.gz	SIVFMHJQACZTKQ-HZPDHXFCSA-N	1	0	361.515	1.400	20	30		FDEDRO
CN1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)CCC1=O	ZINC001085433545	924687586	/nfs/dbraw/zinc/68/75/86/924687586.db2.gz	UBHKIEOLZNCTLA-GUDVDZBRSA-N	1	0	368.481	1.944	20	30		FDEDRO
CN1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)CCC1=O	ZINC001085434091	924693470	/nfs/dbraw/zinc/69/34/70/924693470.db2.gz	TVOWNDKXZIINFE-IPMKNSEASA-N	1	0	368.481	1.944	20	30		FDEDRO
Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)n(C)c1=O	ZINC001085434302	924697909	/nfs/dbraw/zinc/69/79/09/924697909.db2.gz	DMCPDXFACRDNMM-IAGOWNOFSA-N	1	0	367.453	1.426	20	30		FDEDRO
C[NH+](C)[C@H]1CCCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1	ZINC000738143698	925102154	/nfs/dbraw/zinc/10/21/54/925102154.db2.gz	HFNJOZSUFIOTHP-QFBILLFUSA-N	1	0	355.442	1.309	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CCc2c(C)nc3ncnn3c2C)CC1	ZINC000740738055	925422062	/nfs/dbraw/zinc/42/20/62/925422062.db2.gz	SHYRENPVMLVWFZ-UHFFFAOYSA-N	1	0	354.458	1.278	20	30		FDEDRO
C[N@@H+]1C[C@H](C(=O)NC[C@@]2(C)CN(CC#N)CCO2)[C@@H](c2ccccc2)C1	ZINC001108231293	925709923	/nfs/dbraw/zinc/70/99/23/925709923.db2.gz	QRIHETNNLVYIEH-HBFSDRIKSA-N	1	0	356.470	1.062	20	30		FDEDRO
C#Cc1cncc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C3)c1	ZINC001006278208	925779228	/nfs/dbraw/zinc/77/92/28/925779228.db2.gz	COGHFNDAMATQHF-AXUOBQJMSA-N	1	0	366.465	1.409	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)CC1	ZINC000741605284	925802690	/nfs/dbraw/zinc/80/26/90/925802690.db2.gz	ZFORBGMSCDSAID-GOSISDBHSA-N	1	0	369.465	1.128	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)CC1	ZINC000742004526	925907147	/nfs/dbraw/zinc/90/71/47/925907147.db2.gz	NGFWKRBFVCXHDV-UHFFFAOYSA-N	1	0	368.416	1.963	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC[N@H+]1CCC[C@@H]1C	ZINC000742242089	925982791	/nfs/dbraw/zinc/98/27/91/925982791.db2.gz	RVDXYWOFMQJFKX-ZDUSSCGKSA-N	1	0	354.458	1.751	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2c(C)n[nH]c2C)[C@@H](n2ccnn2)C1	ZINC001129326798	926132123	/nfs/dbraw/zinc/13/21/23/926132123.db2.gz	LXMKLKWCSHLWNW-WQVCFCJDSA-N	1	0	357.462	1.628	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1	ZINC001086151939	926160611	/nfs/dbraw/zinc/16/06/11/926160611.db2.gz	OVXREIDJBODCTQ-PHUPPTAPSA-N	1	0	351.450	1.966	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](CNc3ccnc(C#N)n3)CC2)CC[N@@H+]1C	ZINC001066451232	926359342	/nfs/dbraw/zinc/35/93/42/926359342.db2.gz	XDIBUEKCCKXABB-KLHDSHLOSA-N	1	0	356.474	1.197	20	30		FDEDRO
N#Cc1cccc(OCC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1	ZINC000743766874	926464897	/nfs/dbraw/zinc/46/48/97/926464897.db2.gz	WEKNIGKMRCMUIE-NRFANRHFSA-N	1	0	365.433	1.690	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1	ZINC000743891239	926494744	/nfs/dbraw/zinc/49/47/44/926494744.db2.gz	OBYCRPGWSRQCOW-UHFFFAOYSA-N	1	0	373.428	1.767	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000743947692	926523873	/nfs/dbraw/zinc/52/38/73/926523873.db2.gz	SQTUMGWDIGDVLT-QGZVFWFLSA-N	1	0	370.453	1.565	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3CCOCC3)cc2)CC1	ZINC000743947288	926523995	/nfs/dbraw/zinc/52/39/95/926523995.db2.gz	XTUKNHNCQMRVMF-UHFFFAOYSA-N	1	0	372.469	1.228	20	30		FDEDRO
C=C(Br)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1	ZINC001086368857	926861491	/nfs/dbraw/zinc/86/14/91/926861491.db2.gz	AOJPLENKLMFMOE-OJAKKHQRSA-N	1	0	358.280	1.294	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@]1(C)C[N@H+](CCCCOC)CCO1	ZINC001108275026	927208214	/nfs/dbraw/zinc/20/82/14/927208214.db2.gz	VHRBEDKLGSNOMT-LNLFQRSKSA-N	1	0	354.491	1.601	20	30		FDEDRO
C[C@H](C#N)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2	ZINC001006308432	927264512	/nfs/dbraw/zinc/26/45/12/927264512.db2.gz	UKDBQGVOHJDVAE-AXUOBQJMSA-N	1	0	368.481	1.812	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)CC1	ZINC001066549278	927562837	/nfs/dbraw/zinc/56/28/37/927562837.db2.gz	WRWSDBSVQOPXJM-ZACQAIPSSA-N	1	0	351.491	1.415	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1	ZINC000746207672	927670902	/nfs/dbraw/zinc/67/09/02/927670902.db2.gz	RXOALYCRCUTXLW-OAQYLSRUSA-N	1	0	365.433	1.842	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2nnc(CC)n2C)C1	ZINC001086503880	927711413	/nfs/dbraw/zinc/71/14/13/927711413.db2.gz	RUORFPRYHBSDSW-XSWJXKHESA-N	1	0	361.490	1.343	20	30		FDEDRO
CCc1ccc([C@@H](CNC(=O)C(=O)Nc2cnn(CC#N)c2)[NH+](C)C)cc1	ZINC000746344660	927886179	/nfs/dbraw/zinc/88/61/79/927886179.db2.gz	PVKMTAHHIUSTMQ-QGZVFWFLSA-N	1	0	368.441	1.327	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccncc1	ZINC000746432091	927979449	/nfs/dbraw/zinc/97/94/49/927979449.db2.gz	DVIWLQLIGJIANB-OAHLLOKOSA-N	1	0	356.430	1.212	20	30		FDEDRO
CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H](O)CC2(C#N)CCC2)cc1	ZINC001168801521	928108100	/nfs/dbraw/zinc/10/81/00/928108100.db2.gz	SEDNMRPFRSVLBC-HIFRSBDPSA-N	1	0	351.472	1.690	20	30		FDEDRO
C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2	ZINC001169020179	928242140	/nfs/dbraw/zinc/24/21/40/928242140.db2.gz	KEQCPGJQQABODQ-JENIJYKNSA-N	1	0	364.490	1.615	20	30		FDEDRO
C=CCOC(=O)CC[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)OCC=C	ZINC001169109962	928312048	/nfs/dbraw/zinc/31/20/48/928312048.db2.gz	JUKQFHILJGNTPT-YVSFHVDLSA-N	1	0	350.459	1.808	20	30		FDEDRO
C=C(C)C[N@@H+](CC)[C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC001169208861	928343101	/nfs/dbraw/zinc/34/31/01/928343101.db2.gz	QUIOCZKVVNODJP-OAHLLOKOSA-N	1	0	361.490	1.891	20	30		FDEDRO
C=C(C)C[N@@H+](CC)[C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC001169208860	928343553	/nfs/dbraw/zinc/34/35/53/928343553.db2.gz	QUIOCZKVVNODJP-HNNXBMFYSA-N	1	0	361.490	1.891	20	30		FDEDRO
C=CCCC[NH+]1CC(N2C[C@H](NC(=O)[C@]34CCC[C@H]3OCC4)CC2=O)C1	ZINC001108555476	928910642	/nfs/dbraw/zinc/91/06/42/928910642.db2.gz	PNLYLRINZZIDTR-MDYRTPRTSA-N	1	0	361.486	1.313	20	30		FDEDRO
C#CCCN(CC(F)(F)F)C(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1	ZINC000767154442	929127592	/nfs/dbraw/zinc/12/75/92/929127592.db2.gz	KPPQBHGBBISDFH-GJZGRUSLSA-N	1	0	373.419	1.733	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)C)C2	ZINC001108878807	929419296	/nfs/dbraw/zinc/41/92/96/929419296.db2.gz	LBZOUGACBYPSPY-XGUBFFRZSA-N	1	0	350.463	1.154	20	30		FDEDRO
CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OCC#N)cc1	ZINC001108887827	929445820	/nfs/dbraw/zinc/44/58/20/929445820.db2.gz	URQPRCPFOHFNAC-BIGGFVEDSA-N	1	0	370.453	1.335	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nnc3ccccc3n1)C2	ZINC001109527686	929679668	/nfs/dbraw/zinc/67/96/68/929679668.db2.gz	GTQBZFSBNQVMFB-COXVUDFISA-N	1	0	353.426	1.563	20	30		FDEDRO
N#Cc1ccc([C@@H]([NH2+]C2CCC(O)(c3cccnc3)CC2)C(N)=O)cc1	ZINC000769841802	929719084	/nfs/dbraw/zinc/71/90/84/929719084.db2.gz	GIAZQPMTUJVTBT-QPIRBTGLSA-N	1	0	350.422	1.900	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)nc1[C@H]1CCOC1)C2	ZINC001109563018	929782226	/nfs/dbraw/zinc/78/22/26/929782226.db2.gz	FCWAKIMVRRTLNV-MVJTYMMSSA-N	1	0	374.485	1.462	20	30		FDEDRO
C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2C(=O)CCC2=O)CC1	ZINC001109681851	930122357	/nfs/dbraw/zinc/12/23/57/930122357.db2.gz	KJENWTBEHFCUOC-PMPSAXMXSA-N	1	0	359.470	1.603	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNS(=O)(=O)CC	ZINC001109683627	930124602	/nfs/dbraw/zinc/12/46/02/930124602.db2.gz	VLCXDKTWJOHDCT-MUQADHOPSA-N	1	0	371.547	1.640	20	30		FDEDRO
N#C/N=C1\SCCN1Cc1ccc(-n2nnc3ccc(C[NH3+])cc32)nc1	ZINC001170016779	930248093	/nfs/dbraw/zinc/24/80/93/930248093.db2.gz	KQINRKZAANBVGQ-FXBPSFAMSA-N	1	0	364.438	1.660	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)Cc1nn(C)c(=O)c2ccccc12	ZINC000770802309	930265424	/nfs/dbraw/zinc/26/54/24/930265424.db2.gz	GRZCVQWFUMOKHE-OAHLLOKOSA-N	1	0	355.438	1.753	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C2	ZINC001109762946	930357824	/nfs/dbraw/zinc/35/78/24/930357824.db2.gz	ILTYHQHNDAQTLU-WCVJEAGWSA-N	1	0	357.520	1.392	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCOCC	ZINC001109806159	930467610	/nfs/dbraw/zinc/46/76/10/930467610.db2.gz	QBLODEAPUKHJRD-OWSLCNJRSA-N	1	0	351.491	1.605	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3ccncc3)c1)C2	ZINC001109890136	930692503	/nfs/dbraw/zinc/69/25/03/930692503.db2.gz	IZULMKHUECGGGL-QYZOEREBSA-N	1	0	367.453	1.805	20	30		FDEDRO
C#C[C@H](C)[NH2+][C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1	ZINC001170027978	930723206	/nfs/dbraw/zinc/72/32/06/930723206.db2.gz	XYXREVQNNVQFDM-MJBXVCDLSA-N	1	0	353.488	1.509	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]nc1-c1cnn(C)c1)C2	ZINC001109962081	930895195	/nfs/dbraw/zinc/89/51/95/930895195.db2.gz	NVXYKQFGHOZEFO-PVAVHDDUSA-N	1	0	370.457	1.348	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@H]2CCN(c3sccc3C#N)C2=O)CC1	ZINC000772110017	931079684	/nfs/dbraw/zinc/07/96/84/931079684.db2.gz	NKDARTUCJHWHIC-HNNXBMFYSA-N	1	0	357.435	1.613	20	30		FDEDRO
CC[NH+](CC)CCOC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O	ZINC000772133252	931093157	/nfs/dbraw/zinc/09/31/57/931093157.db2.gz	QPRBKUFYQJYKDF-INIZCTEOSA-N	1	0	372.425	1.648	20	30		FDEDRO
C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1	ZINC001170040922	931192114	/nfs/dbraw/zinc/19/21/14/931192114.db2.gz	ZNUAGRQBINLCON-YJBOKZPZSA-N	1	0	354.454	1.875	20	30		FDEDRO
C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1	ZINC001170040920	931192578	/nfs/dbraw/zinc/19/25/78/931192578.db2.gz	ZNUAGRQBINLCON-MAUKXSAKSA-N	1	0	354.454	1.875	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1C(=O)CN(C)C1=O)C2	ZINC001110074414	931385522	/nfs/dbraw/zinc/38/55/22/931385522.db2.gz	SOVJBOVKXDYOEK-PMPSAXMXSA-N	1	0	364.490	1.572	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1csc(-c3nc[nH]n3)n1)C2	ZINC001112544657	931420107	/nfs/dbraw/zinc/42/01/07/931420107.db2.gz	PVPRHRCTNMDKBT-UGSOOPFHSA-N	1	0	370.482	1.783	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn(C(C)C)nn1)C2	ZINC001112552639	931530045	/nfs/dbraw/zinc/53/00/45/931530045.db2.gz	IGUXYYNHMCCTEV-LPHOPBHVSA-N	1	0	359.474	1.341	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)COC)C1	ZINC001112565210	931611287	/nfs/dbraw/zinc/61/12/87/931611287.db2.gz	PGQIOGQKSYYWEE-WWMYMODYSA-N	1	0	371.481	1.960	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccccc1OC)C2	ZINC001112569014	931633536	/nfs/dbraw/zinc/63/35/36/931633536.db2.gz	ZNKJLOWYDKGVSE-KKSFZXQISA-N	1	0	371.481	1.829	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCc1cccnc1)C2	ZINC001112570730	931652498	/nfs/dbraw/zinc/65/24/98/931652498.db2.gz	MILQCGMKMUYRBX-FPOVZHCZSA-N	1	0	371.481	1.466	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCN(C(C)=O)C1)C2	ZINC001112571281	931654269	/nfs/dbraw/zinc/65/42/69/931654269.db2.gz	NMYIUBABFFSYOQ-BJLQDIEVSA-N	1	0	363.502	1.276	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CS(=O)(=O)N(C)C)C2	ZINC001112571553	931655656	/nfs/dbraw/zinc/65/56/56/931655656.db2.gz	BXOCZHMYPKAPLK-RDJZCZTQSA-N	1	0	357.520	1.062	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)c1cccs1)C2	ZINC001112574274	931681363	/nfs/dbraw/zinc/68/13/63/931681363.db2.gz	YAYSIHOHLWBOEO-KXBFYZLASA-N	1	0	359.495	1.720	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(=O)n(CCCC)n1)C2	ZINC001112577071	931689972	/nfs/dbraw/zinc/68/99/72/931689972.db2.gz	YRNFNWIRWBJGQE-UWJYYQICSA-N	1	0	370.497	1.899	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)c1ccccc1C)C2	ZINC001112574970	931699575	/nfs/dbraw/zinc/69/95/75/931699575.db2.gz	LIJXDLACVBGAGO-AVRDEDQJSA-N	1	0	367.493	1.966	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCS1(=O)=O)C2	ZINC001112581941	931747642	/nfs/dbraw/zinc/74/76/42/931747642.db2.gz	BHHAYHORDWXMNF-BQFCYCMXSA-N	1	0	354.516	1.748	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)COC(=O)CC1([NH+]2CCOCC2)CCCC1	ZINC000786097739	931748861	/nfs/dbraw/zinc/74/88/61/931748861.db2.gz	YYVAVIPMVHMKGT-SFHVURJKSA-N	1	0	365.474	1.619	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)c1ccsc1)C2	ZINC001112582245	931748934	/nfs/dbraw/zinc/74/89/34/931748934.db2.gz	OFJNTPQEELKZOZ-LPHOPBHVSA-N	1	0	359.495	1.720	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)NC(=O)NCC=C)C2	ZINC001112585667	931766004	/nfs/dbraw/zinc/76/60/04/931766004.db2.gz	LBNYRGWYCCGEOT-JXFKEZNVSA-N	1	0	360.502	1.492	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCNC(=O)C2CC2)C1	ZINC001112589924	931807620	/nfs/dbraw/zinc/80/76/20/931807620.db2.gz	WBMGBDRDAIDZKX-SYNHAJSKSA-N	1	0	363.502	1.322	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC(C)C)C1	ZINC001112589728	931807639	/nfs/dbraw/zinc/80/76/39/931807639.db2.gz	OBSPSBGWIFLNAE-ZWOKBUDYSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1cn(C)nn1)C2	ZINC001112592589	931829260	/nfs/dbraw/zinc/82/92/60/931829260.db2.gz	XSHSEGAQZCTCSD-LPHOPBHVSA-N	1	0	361.490	1.169	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)c1cnn(C)c1)C2	ZINC001112593868	931860106	/nfs/dbraw/zinc/86/01/06/931860106.db2.gz	WFKYVMCRECXJJT-QRFRQXIXSA-N	1	0	358.486	1.392	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC2(CO)CCN(c3ccc(C#N)nc3)CC2)CC[N@@H+]1C	ZINC001112679498	932171143	/nfs/dbraw/zinc/17/11/43/932171143.db2.gz	LJSHGMHKEKNVPE-ZWKOTPCHSA-N	1	0	371.485	1.131	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C	ZINC000787636437	932352275	/nfs/dbraw/zinc/35/22/75/932352275.db2.gz	HVTGZVPZGBOREW-CYBMUJFWSA-N	1	0	372.238	1.569	20	30		FDEDRO
CC[NH+](CC)Cc1ccc(NC(=O)C(=O)Nc2cnn(CC#N)c2)cc1	ZINC000787889511	932452142	/nfs/dbraw/zinc/45/21/42/932452142.db2.gz	GXYUCWHTYRWHCR-UHFFFAOYSA-N	1	0	354.414	1.826	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)nnn3CC)C2	ZINC001110084561	932503516	/nfs/dbraw/zinc/50/35/16/932503516.db2.gz	DMUFIMWHNSKAKE-RYRKJORJSA-N	1	0	369.469	1.989	20	30		FDEDRO
C[NH+](C)[C@H]1CCCC(N=Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1	ZINC000788407893	932697580	/nfs/dbraw/zinc/69/75/80/932697580.db2.gz	HSDOSXXEZWRHPI-NSHDSACASA-N	1	0	355.420	1.514	20	30		FDEDRO
COC(=O)CC[NH+]1CCC(=NNC(=S)Nc2cccc(OC)c2)CC1	ZINC000788699730	932787207	/nfs/dbraw/zinc/78/72/07/932787207.db2.gz	KHAJAJDVCWDGRJ-UHFFFAOYSA-N	1	0	364.471	1.997	20	30		FDEDRO
COC(=O)CC[NH+]1CCC(=NNC(=S)NCCc2ccccn2)CC1	ZINC000788712566	932791141	/nfs/dbraw/zinc/79/11/41/932791141.db2.gz	KLLUQWSTTFHEAU-UHFFFAOYSA-N	1	0	363.487	1.103	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2COCCN2C)C1	ZINC001086584265	933466952	/nfs/dbraw/zinc/46/69/52/933466952.db2.gz	NLCJVKUXTHLCDU-ZCNNSNEGSA-N	1	0	357.498	1.867	20	30		FDEDRO
C#C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(OC)c1)[C@H]1CCCO1	ZINC000790501906	933581742	/nfs/dbraw/zinc/58/17/42/933581742.db2.gz	KFXCJACSTIBPAS-RTBURBONSA-N	1	0	359.470	1.949	20	30		FDEDRO
C=CCOCCN1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1	ZINC001113365529	933615344	/nfs/dbraw/zinc/61/53/44/933615344.db2.gz	NRDCLEGKMPLDMG-UXHICEINSA-N	1	0	357.498	1.679	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CCC(=O)NC2)C1	ZINC001086592616	933815984	/nfs/dbraw/zinc/81/59/84/933815984.db2.gz	XNNPHIOKFXFBPC-YTQUADARSA-N	1	0	353.466	1.510	20	30		FDEDRO
C#CCn1cc(CNC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)cn1	ZINC000791262945	933934794	/nfs/dbraw/zinc/93/47/94/933934794.db2.gz	QMLBMHQHXULADJ-UHFFFAOYSA-N	1	0	351.454	1.194	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)NCc1cccc(C[N@@H+](C)CC)c1)[C@H]1CCCO1	ZINC000793872165	938331993	/nfs/dbraw/zinc/33/19/93/938331993.db2.gz	XTEUUXXKXVKKGM-QZTJIDSGSA-N	1	0	357.454	1.052	20	30		FDEDRO
C=C(C)CN1C[C@@H](NC(=O)[C@@H](C)Oc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129411620	938406686	/nfs/dbraw/zinc/40/66/86/938406686.db2.gz	AMMHEAGQPHWCEQ-NXHRZFHOSA-N	1	0	355.442	1.663	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)C(=O)Nc2ccc(C)cc2)[C@@H](n2ccnn2)C1	ZINC001129427967	938413982	/nfs/dbraw/zinc/41/39/82/938413982.db2.gz	MESBPVPNWBHMCT-SJORKVTESA-N	1	0	368.441	1.143	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccc(Cl)cn2)[C@@H](n2ccnn2)C1	ZINC001129400348	938415270	/nfs/dbraw/zinc/41/52/70/938415270.db2.gz	JFHMQKZQWVHWCE-CVEARBPZSA-N	1	0	360.849	1.948	20	30		FDEDRO
C=CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1)c1ccccc1	ZINC001129449057	938419502	/nfs/dbraw/zinc/41/95/02/938419502.db2.gz	GGBOAEXJTZVYIG-OTWHNJEPSA-N	1	0	369.469	1.362	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2n2ccnn2)CCCCC1	ZINC001129449615	938419997	/nfs/dbraw/zinc/41/99/97/938419997.db2.gz	SKJHEDNPRVPCPX-ZACQAIPSSA-N	1	0	361.490	1.527	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2ccc(C)nc2)[C@@H](n2ccnn2)C1	ZINC001129433873	938424087	/nfs/dbraw/zinc/42/40/87/938424087.db2.gz	XBYYQELOKIYICQ-UHOSZYNNSA-N	1	0	368.485	1.920	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCCn2cccn2)[C@@H](n2ccnn2)C1	ZINC001129438655	938425667	/nfs/dbraw/zinc/42/56/67/938425667.db2.gz	YJEGBSISCMUTDT-SJORKVTESA-N	1	0	357.462	1.263	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@H+](CCCC2CCC2)C[C@@H]1n1ccnn1	ZINC001129476798	938432767	/nfs/dbraw/zinc/43/27/67/938432767.db2.gz	QYRSJMHKIKHYJK-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CCN(C(N)=O)CC2)C1	ZINC001086623350	938450372	/nfs/dbraw/zinc/45/03/72/938450372.db2.gz	ZPWVHRGHNSIJQJ-RBUKOAKNSA-N	1	0	368.481	1.385	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)n2cccn2)C[C@@H]1n1ccnn1	ZINC001129603975	938463127	/nfs/dbraw/zinc/46/31/27/938463127.db2.gz	RTQLIZAYFJSVAN-KSZLIROESA-N	1	0	371.489	1.824	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1	ZINC001086624244	938475051	/nfs/dbraw/zinc/47/50/51/938475051.db2.gz	UZPVJHFLNGKVOK-FUHWJXTLSA-N	1	0	352.438	1.888	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]([NH2+]CCCc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129681678	938484402	/nfs/dbraw/zinc/48/44/02/938484402.db2.gz	VUVBFICHLQUAML-MOPGFXCFSA-N	1	0	369.469	1.455	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2n[nH]c(C)c2C)C[C@@H]1n1ccnn1	ZINC001129690593	938486194	/nfs/dbraw/zinc/48/61/94/938486194.db2.gz	KTGMLSIRYMOYTI-WQVCFCJDSA-N	1	0	357.462	1.628	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]CCc2ccc(OC)cc2)[C@@H](n2ccnn2)C1	ZINC001129677266	938490736	/nfs/dbraw/zinc/49/07/36/938490736.db2.gz	CHPLNZAFZUCPSA-MOPGFXCFSA-N	1	0	369.469	1.837	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cncc(C)c2)C[C@@H]1n1ccnn1	ZINC001129712653	938491984	/nfs/dbraw/zinc/49/19/84/938491984.db2.gz	MSEFUPNMPWBYEC-JQHSSLGASA-N	1	0	354.458	1.992	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)COCCOC)C[C@@H]1n1ccnn1	ZINC001129712881	938492384	/nfs/dbraw/zinc/49/23/84/938492384.db2.gz	RKUJIGIXJMPMJJ-SJORKVTESA-N	1	0	367.494	1.253	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnccc2C)C[C@@H]1n1ccnn1	ZINC001129716797	938493002	/nfs/dbraw/zinc/49/30/02/938493002.db2.gz	BUSWIVLWFKMGOO-NXHRZFHOSA-N	1	0	354.458	1.992	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnccc2C)C[C@@H]1n1ccnn1	ZINC001129716795	938493106	/nfs/dbraw/zinc/49/31/06/938493106.db2.gz	BUSWIVLWFKMGOO-JQHSSLGASA-N	1	0	354.458	1.992	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@@H]1n1ccnn1	ZINC001129723736	938494219	/nfs/dbraw/zinc/49/42/19/938494219.db2.gz	KPSNATVGXGRCDA-SJORKVTESA-N	1	0	370.457	1.780	20	30		FDEDRO
CC1CC(C(=O)N2C[C@@H]([NH2+]CC#Cc3ccccc3)[C@@H](n3ccnn3)C2)C1	ZINC001129728136	938495447	/nfs/dbraw/zinc/49/54/47/938495447.db2.gz	NNCVYUKJJCOHCP-HFPIOELMSA-N	1	0	363.465	1.717	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(C)ncn2)C[C@@H]1n1ccnn1	ZINC001129748034	938506301	/nfs/dbraw/zinc/50/63/01/938506301.db2.gz	NFPWUZFNMAKSQV-XKQJLSEDSA-N	1	0	355.446	1.387	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2nccc(C)n2)C[C@@H]1n1ccnn1	ZINC001129791589	938508418	/nfs/dbraw/zinc/50/84/18/938508418.db2.gz	KXUWYEVNBVNUFG-BMFZPTHFSA-N	1	0	355.446	1.387	20	30		FDEDRO
CC/C=C\CC[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1n1ccnn1	ZINC001129777820	938513702	/nfs/dbraw/zinc/51/37/02/938513702.db2.gz	DFDUUHPIATYLAA-DSLCMKTCSA-N	1	0	353.430	1.489	20	30		FDEDRO
N#Cc1ccc(C(=O)N2C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n3ccnn3)C2)[nH]1	ZINC001129778021	938513716	/nfs/dbraw/zinc/51/37/16/938513716.db2.gz	JJDLHXXOGXSGOB-OLZOCXBDSA-N	1	0	367.335	1.086	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H]([NH2+]CCC[C@H]2CCOC2)[C@@H](n2ccnn2)C1	ZINC001129822206	938521854	/nfs/dbraw/zinc/52/18/54/938521854.db2.gz	KERITMLOQAQIKI-KSZLIROESA-N	1	0	359.474	1.096	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CCCCCC=C)[C@@H](n2ccnn2)C1	ZINC001129829209	938523498	/nfs/dbraw/zinc/52/34/98/938523498.db2.gz	AUXFKEZKSIQDQR-KURKYZTESA-N	1	0	359.474	1.404	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]Cc2cccnc2C)[C@@H](n2ccnn2)C1	ZINC001129829500	938523770	/nfs/dbraw/zinc/52/37/70/938523770.db2.gz	JCPUWFRURYCJKW-MSOLQXFVSA-N	1	0	352.442	1.327	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]Cc2cncc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129829469	938523788	/nfs/dbraw/zinc/52/37/88/938523788.db2.gz	INSJFRGIAFZVES-MSOLQXFVSA-N	1	0	352.442	1.327	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1C[C@H]1c1ccc(OC)cc1	ZINC001129849888	938526613	/nfs/dbraw/zinc/52/66/13/938526613.db2.gz	ZAXYUYILWPIXSP-HFTRVMKXSA-N	1	0	359.470	1.585	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]CCc2ccns2)[C@@H](n2ccnn2)C1	ZINC001129834021	938533046	/nfs/dbraw/zinc/53/30/46/938533046.db2.gz	LHBUTOBBXUTBIK-CVEARBPZSA-N	1	0	358.471	1.122	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(F)F)nc2)C[C@@H]1n1ccnn1	ZINC001129892209	938542946	/nfs/dbraw/zinc/54/29/46/938542946.db2.gz	MFGPSIHYSPZBCU-CABCVRRESA-N	1	0	360.368	1.289	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCCO2)[C@@H](n2ccnn2)C1	ZINC001129876438	938547071	/nfs/dbraw/zinc/54/70/71/938547071.db2.gz	QJXULRUNVNCZMF-BBWFWOEESA-N	1	0	361.490	1.791	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C/C=C\c2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001129907262	938549295	/nfs/dbraw/zinc/54/92/95/938549295.db2.gz	ZGRRBHVSMGGEIT-LSLCWXNRSA-N	1	0	367.428	1.886	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C/C=C/c2ccccc2F)C[C@@H]1n1ccnn1	ZINC001129910358	938550013	/nfs/dbraw/zinc/55/00/13/938550013.db2.gz	PKCFSQHQTCMOPZ-MJMQLPLLSA-N	1	0	353.401	1.495	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3nccn3C2)C[C@@H]1n1ccnn1	ZINC001129917051	938553798	/nfs/dbraw/zinc/55/37/98/938553798.db2.gz	JJSDXDOZJWWWTO-BBWFWOEESA-N	1	0	369.473	1.045	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(C)CCC(F)(F)CC2)C[C@@H]1n1ccnn1	ZINC001129917309	938554168	/nfs/dbraw/zinc/55/41/68/938554168.db2.gz	PSCVMNYMLJCSDN-CABCVRRESA-N	1	0	365.428	1.859	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C/C=C/c2cccc(F)c2)C[C@@H]1n1ccnn1	ZINC001129896005	938557443	/nfs/dbraw/zinc/55/74/43/938557443.db2.gz	NEVWYIUPMRZOQL-BJAZZSIWSA-N	1	0	367.428	1.886	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc3[nH]ccc3c2)C[C@@H]1n1ccnn1	ZINC001129902658	938561632	/nfs/dbraw/zinc/56/16/32/938561632.db2.gz	XEUOOJXZFZNSBS-CVEARBPZSA-N	1	0	351.414	1.337	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2CC)C[C@@H]1n1ccnn1	ZINC001129918499	938567149	/nfs/dbraw/zinc/56/71/49/938567149.db2.gz	AQXCZRBTTFSGTC-XYPHTWIQSA-N	1	0	357.462	1.574	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(COC)cs2)C[C@@H]1n1ccnn1	ZINC001129925025	938570567	/nfs/dbraw/zinc/57/05/67/938570567.db2.gz	PZZJTKPHGSKNLG-CABCVRRESA-N	1	0	361.471	1.717	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(Cl)cn2C)C[C@@H]1n1ccnn1	ZINC001129927509	938571887	/nfs/dbraw/zinc/57/18/87/938571887.db2.gz	ZUMWJXWYSGLGLU-ZBFHGGJFSA-N	1	0	362.865	1.892	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccnc3ccccc32)C[C@@H]1n1ccnn1	ZINC001129928870	938572190	/nfs/dbraw/zinc/57/21/90/938572190.db2.gz	RCCSMUPXOANOHX-MOPGFXCFSA-N	1	0	360.421	1.505	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2cncc(C)c2)C[C@@H]1n1ccnn1	ZINC001129928966	938572484	/nfs/dbraw/zinc/57/24/84/938572484.db2.gz	XFERKYLPJPHJCT-MOPGFXCFSA-N	1	0	368.485	1.922	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccnc2C(F)F)C[C@@H]1n1ccnn1	ZINC001129928894	938572587	/nfs/dbraw/zinc/57/25/87/938572587.db2.gz	TXSAPWLNAXSLHY-KGLIPLIRSA-N	1	0	360.368	1.289	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccn3ccnc3c2)C[C@@H]1n1ccnn1	ZINC001129930714	938573102	/nfs/dbraw/zinc/57/31/02/938573102.db2.gz	QPGOVPNEQYSAGN-SJORKVTESA-N	1	0	365.441	1.547	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc3c2CCOC3)C[C@@H]1n1ccnn1	ZINC001129930890	938573332	/nfs/dbraw/zinc/57/33/32/938573332.db2.gz	XOTIONVKJCZTKK-MOPGFXCFSA-N	1	0	367.453	1.582	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(OC)ccn2)C[C@@H]1n1ccnn1	ZINC001129954440	938576314	/nfs/dbraw/zinc/57/63/14/938576314.db2.gz	NFEYPSWRXSQRMU-SJORKVTESA-N	1	0	356.430	1.303	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC=CCC2)C[C@@H]1n1ccnn1	ZINC001129959447	938578320	/nfs/dbraw/zinc/57/83/20/938578320.db2.gz	XDJVAUNOVQFMKM-KSZLIROESA-N	1	0	357.458	1.016	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)COCC(F)F)C[C@@H]1n1ccnn1	ZINC001129947948	938582553	/nfs/dbraw/zinc/58/25/53/938582553.db2.gz	UZNZDJLISXWWQM-KGLIPLIRSA-N	1	0	371.432	1.504	20	30		FDEDRO
C#CCN(Cc1ccccc1)C(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1	ZINC000804835556	938590947	/nfs/dbraw/zinc/59/09/47/938590947.db2.gz	RBOJPZSYZRUCRV-PMACEKPBSA-N	1	0	367.493	1.981	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H]([NH2+]Cc2ccnn2C)[C@@H](n2ccnn2)C1	ZINC001129977945	938593441	/nfs/dbraw/zinc/59/34/41/938593441.db2.gz	LKKHZNNBPOOTIN-OIISXLGYSA-N	1	0	357.462	1.156	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc3n2CCCC3)C[C@@H]1n1ccnn1	ZINC001129976316	938600720	/nfs/dbraw/zinc/60/07/20/938600720.db2.gz	LIQDQAHZVVSITM-ZBFHGGJFSA-N	1	0	355.446	1.042	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@@H]1n1ccnn1	ZINC001129976587	938601044	/nfs/dbraw/zinc/60/10/44/938601044.db2.gz	RJYJYSONEHPIOS-KGLIPLIRSA-N	1	0	369.416	1.258	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H]([NH2+]CCOCC2CC2)[C@@H](n2ccnn2)C1	ZINC001129995808	938604374	/nfs/dbraw/zinc/60/43/74/938604374.db2.gz	KLABJUMBGISTOO-AOIWGVFYSA-N	1	0	361.490	1.649	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2cc(C)on2)C[C@@H]1n1ccnn1	ZINC001130000842	938608056	/nfs/dbraw/zinc/60/80/56/938608056.db2.gz	RISNUBXKGCKUDN-SJORKVTESA-N	1	0	358.446	1.515	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)CC1	ZINC000804890462	938609797	/nfs/dbraw/zinc/60/97/97/938609797.db2.gz	QDFRNSHDUXHRLI-RBSFLKMASA-N	1	0	369.556	1.249	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1	ZINC000804891456	938610712	/nfs/dbraw/zinc/61/07/12/938610712.db2.gz	CBZLIYQFGWYZAG-HNNXBMFYSA-N	1	0	358.486	1.696	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2cccc(Cl)c2)C[C@@H]1n1ccnn1	ZINC001129988121	938611239	/nfs/dbraw/zinc/61/12/39/938611239.db2.gz	JANUCAZTPCOPPJ-SJORKVTESA-N	1	0	357.845	1.539	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)CC2(C)OCCO2)CC1	ZINC000804895892	938611847	/nfs/dbraw/zinc/61/18/47/938611847.db2.gz	UGYQDGLOKUDAKL-HNNXBMFYSA-N	1	0	367.490	1.049	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCc3nc(C)ncc32)CC1	ZINC000804899287	938612843	/nfs/dbraw/zinc/61/28/43/938612843.db2.gz	UQIZSYGKIHNGLU-GOSISDBHSA-N	1	0	371.485	1.435	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2cncs2)C[C@@H]1n1ccnn1	ZINC001130014302	938615428	/nfs/dbraw/zinc/61/54/28/938615428.db2.gz	HJYVBZLTLUCYBP-CVEARBPZSA-N	1	0	360.487	1.675	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130020388	938619128	/nfs/dbraw/zinc/61/91/28/938619128.db2.gz	DGUHVKYICXFOIO-NXHRZFHOSA-N	1	0	355.442	1.411	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)C[C@@H]1n1ccnn1	ZINC001130020349	938619190	/nfs/dbraw/zinc/61/91/90/938619190.db2.gz	BPMXVNMPKIOOGA-VHSSKADRSA-N	1	0	369.473	1.889	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130024251	938628281	/nfs/dbraw/zinc/62/82/81/938628281.db2.gz	OMIPRIVOKAUCKP-AQNXPRMDSA-N	1	0	365.481	1.912	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2nccc2C)C[C@@H]1n1ccnn1	ZINC001130024374	938628567	/nfs/dbraw/zinc/62/85/67/938628567.db2.gz	SORLVMGWCYLXEX-OIISXLGYSA-N	1	0	357.462	1.179	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2scnc2C2CC2)C[C@@H]1n1ccnn1	ZINC001130030671	938632106	/nfs/dbraw/zinc/63/21/06/938632106.db2.gz	LUHNIAWDKMWSSD-KGLIPLIRSA-N	1	0	356.455	1.291	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](c2cccnc2)C(C)C)C[C@@H]1n1ccnn1	ZINC001130057082	938642439	/nfs/dbraw/zinc/64/24/39/938642439.db2.gz	HVCQATLWKWGROL-QYZOEREBSA-N	1	0	366.469	1.478	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2ncccn2)C[C@@H]1n1ccnn1	ZINC001130047658	938646971	/nfs/dbraw/zinc/64/69/71/938646971.db2.gz	MQFQCTNFCIGOIY-ZACQAIPSSA-N	1	0	369.473	1.397	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(CC)nn2C)C[C@@H]1n1ccnn1	ZINC001130059619	938648799	/nfs/dbraw/zinc/64/87/99/938648799.db2.gz	SLCZTYZNMCURFC-LESCRADOSA-N	1	0	371.489	1.584	20	30		FDEDRO
CCC1(C(=O)N2C[C@@H]([NH2+]CC#CCOC)[C@@H](n3ccnn3)C2)CCCC1	ZINC001130065875	938653718	/nfs/dbraw/zinc/65/37/18/938653718.db2.gz	VSDSOXMILALBEF-SJORKVTESA-N	1	0	359.474	1.240	20	30		FDEDRO
C#CCCCS(=O)(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1	ZINC000805099871	938661150	/nfs/dbraw/zinc/66/11/50/938661150.db2.gz	NXBVBBZELHPTJX-UHFFFAOYSA-N	1	0	363.527	1.479	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cn(C(C)C)nc2C)C[C@@H]1n1ccnn1	ZINC001130083954	938665543	/nfs/dbraw/zinc/66/55/43/938665543.db2.gz	RRIAHWRUIPWKGM-MSOLQXFVSA-N	1	0	371.489	1.985	20	30		FDEDRO
CCc1cc(C)c(C(=O)N2C[C@@H]([NH2+]CC#CCOC)[C@@H](n3ccnn3)C2)o1	ZINC001130085993	938667445	/nfs/dbraw/zinc/66/74/45/938667445.db2.gz	GSEVAHDEJPZYPJ-SJORKVTESA-N	1	0	371.441	1.047	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ncoc2-c2ccon2)C[C@@H]1n1ccnn1	ZINC001130086391	938667975	/nfs/dbraw/zinc/66/79/75/938667975.db2.gz	ZDZFSSIPYITZFT-KGLIPLIRSA-N	1	0	369.385	1.153	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]CCCCCF)[C@@H](n3ccnn3)C2)nc1	ZINC001130094349	938679197	/nfs/dbraw/zinc/67/91/97/938679197.db2.gz	GOTLPBILMRKXBD-MSOLQXFVSA-N	1	0	370.432	1.450	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC3(CCC3)CO2)C[C@@H]1n1ccnn1	ZINC001130096398	938681066	/nfs/dbraw/zinc/68/10/66/938681066.db2.gz	GBQBGXKOSQJCFE-KSZLIROESA-N	1	0	371.485	1.382	20	30		FDEDRO
CCCCCCCCC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1	ZINC001130099953	938682492	/nfs/dbraw/zinc/68/24/92/938682492.db2.gz	SADWACCOHUUACM-SJORKVTESA-N	1	0	351.495	1.753	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(OC)cc2)C[C@@H]1n1ccnn1	ZINC001130100126	938682824	/nfs/dbraw/zinc/68/28/24/938682824.db2.gz	ZCPPZUYPOOZGGR-MOPGFXCFSA-N	1	0	369.469	1.837	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccsc2C(F)F)C[C@@H]1n1ccnn1	ZINC001130104935	938685696	/nfs/dbraw/zinc/68/56/96/938685696.db2.gz	CJDAXXKKYRAMGP-OLZOCXBDSA-N	1	0	365.409	1.956	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccccc2Cl)C[C@@H]1n1ccnn1	ZINC001130112519	938692083	/nfs/dbraw/zinc/69/20/83/938692083.db2.gz	DIUVSWFUVNINKC-SJORKVTESA-N	1	0	357.845	1.539	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001130112791	938692693	/nfs/dbraw/zinc/69/26/93/938692693.db2.gz	RYNYTNAMAAOISI-UHOSZYNNSA-N	1	0	367.453	1.419	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(F)cc2Cl)C[C@@H]1n1ccnn1	ZINC001130112969	938692911	/nfs/dbraw/zinc/69/29/11/938692911.db2.gz	WMZPZOBTFMNRKT-CVEARBPZSA-N	1	0	361.808	1.749	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(CC)c(C)s2)C[C@@H]1n1ccnn1	ZINC001130114868	938693843	/nfs/dbraw/zinc/69/38/43/938693843.db2.gz	HMTDGDKTKDPGLD-CVEARBPZSA-N	1	0	357.483	1.889	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2ccc(CC)cc2)C[C@@H]1n1ccnn1	ZINC001130121370	938703579	/nfs/dbraw/zinc/70/35/79/938703579.db2.gz	MXGOMQCNYKQJFS-UXHICEINSA-N	1	0	365.481	1.838	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COc2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001130120940	938703711	/nfs/dbraw/zinc/70/37/11/938703711.db2.gz	GFPBCHXWOUGSDR-SJORKVTESA-N	1	0	359.405	1.414	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)n2nc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001130148146	938707013	/nfs/dbraw/zinc/70/70/13/938707013.db2.gz	HXSASMFBOWDEMK-KURKYZTESA-N	1	0	371.489	1.660	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C23CCC(CC2)CC3)C[C@@H]1n1ccnn1	ZINC001130132771	938707789	/nfs/dbraw/zinc/70/77/89/938707789.db2.gz	OMPJDTOHPNHKRA-NNVNDSJASA-N	1	0	371.485	1.240	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)CCCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130142754	938713915	/nfs/dbraw/zinc/71/39/15/938713915.db2.gz	GSULKWVWXFFDDG-SXLOBPIMSA-N	1	0	365.481	1.912	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnc(C(C)(C)C)nc2)C[C@@H]1n1ccnn1	ZINC001130158335	938719760	/nfs/dbraw/zinc/71/97/60/938719760.db2.gz	DAOXHASLIJXXFA-CVEARBPZSA-N	1	0	367.457	1.044	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC2CC2)n1	ZINC001130175317	938723624	/nfs/dbraw/zinc/72/36/24/938723624.db2.gz	ILKDDVWJGODYIW-STQMWFEESA-N	1	0	353.854	1.436	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)SC)[nH]1	ZINC001130187748	938734128	/nfs/dbraw/zinc/73/41/28/938734128.db2.gz	HIBGDSFRNFGKHN-AGIUHOORSA-N	1	0	353.492	1.211	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC=CCC2)[nH]1	ZINC001130183090	938742473	/nfs/dbraw/zinc/74/24/73/938742473.db2.gz	PJVZSWIDRJEOET-JYJNAYRXSA-N	1	0	359.474	1.815	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[C@@H](C)OC)[nH]1	ZINC001130204636	938745404	/nfs/dbraw/zinc/74/54/04/938745404.db2.gz	AMKPQJXLSJFNEA-ILXRZTDVSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c(C)ccn2C)[nH]1	ZINC001130205391	938746054	/nfs/dbraw/zinc/74/60/54/938746054.db2.gz	YBVPRRNUMYXIBP-KBPBESRZSA-N	1	0	358.446	1.030	20	30		FDEDRO
CC[C@@H](C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C#CC2CC2)[nH]1	ZINC001130212737	938749588	/nfs/dbraw/zinc/74/95/88/938749588.db2.gz	AICJPEHQPPXFPG-KBMXLJTQSA-N	1	0	359.474	1.343	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC2CC(F)(F)C2)[nH]1	ZINC001130220631	938749619	/nfs/dbraw/zinc/74/96/19/938749619.db2.gz	GQAGIKOFUCVQCV-STQMWFEESA-N	1	0	369.416	1.504	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](CC)SC)[nH]1	ZINC001130200347	938754215	/nfs/dbraw/zinc/75/42/15/938754215.db2.gz	IXRFZINVZVLBCH-IHRRRGAJSA-N	1	0	365.503	1.048	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H]2C=CCCC2)[nH]1	ZINC001130220854	938756419	/nfs/dbraw/zinc/75/64/19/938756419.db2.gz	OVDGDJGUCSVJJB-IKGGRYGDSA-N	1	0	371.485	1.653	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(CC)o2)[nH]1	ZINC001130220856	938756571	/nfs/dbraw/zinc/75/65/71/938756571.db2.gz	OXODFAJVYWIZDG-HOCLYGCPSA-N	1	0	371.441	1.376	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccn2CC=C)[nH]1	ZINC001130220826	938756579	/nfs/dbraw/zinc/75/65/79/938756579.db2.gz	NDMSRVWTSITHTD-HOCLYGCPSA-N	1	0	370.457	1.370	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC23CC3)n1	ZINC001130240099	938760637	/nfs/dbraw/zinc/76/06/37/938760637.db2.gz	IOFPQWFCCUCCMZ-XQQFMLRXSA-N	1	0	365.865	1.436	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)[nH]c2C)[nH]1	ZINC001130240100	938760670	/nfs/dbraw/zinc/76/06/70/938760670.db2.gz	IPHHXFSRYGTSQK-HOCLYGCPSA-N	1	0	370.457	1.165	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCC2(C)C)[nH]1	ZINC001130229955	938763325	/nfs/dbraw/zinc/76/33/25/938763325.db2.gz	KCIXPTZWGZMUBD-ZNMIVQPWSA-N	1	0	361.490	1.895	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCC2(C)C)[nH]1	ZINC001130229954	938763378	/nfs/dbraw/zinc/76/33/78/938763378.db2.gz	KCIXPTZWGZMUBD-KKUMJFAQSA-N	1	0	361.490	1.895	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccnc2C)[nH]1	ZINC001130232443	938765064	/nfs/dbraw/zinc/76/50/64/938765064.db2.gz	HSQAZNYVVRFECA-GJZGRUSLSA-N	1	0	356.430	1.086	20	30		FDEDRO
C=C1CCC(C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CC#CC)n[nH]2)CC1	ZINC001130234882	938766330	/nfs/dbraw/zinc/76/63/30/938766330.db2.gz	NKHXUVIWBSBCCX-IRXDYDNUSA-N	1	0	371.485	1.653	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@H]2CC(C)C)n1	ZINC001130237724	938767209	/nfs/dbraw/zinc/76/72/09/938767209.db2.gz	BHGMMBZFFMDNAE-QXSJWSMHSA-N	1	0	359.474	1.198	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@](C)(CC)CCC)n1	ZINC001130244868	938770467	/nfs/dbraw/zinc/77/04/67/938770467.db2.gz	OMARBGQURKXAMH-DOXZYTNZSA-N	1	0	361.490	1.733	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2nocc2C)[nH]1	ZINC001130245276	938771038	/nfs/dbraw/zinc/77/10/38/938771038.db2.gz	YWOSOLOAMGZJLL-STQMWFEESA-N	1	0	360.418	1.069	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C)cc2C)[nH]1	ZINC001130249290	938773607	/nfs/dbraw/zinc/77/36/07/938773607.db2.gz	WCJSHVQSEPYDLL-IRXDYDNUSA-N	1	0	369.469	2.000	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](Cc2cccnc2)CC1	ZINC001130280963	938779235	/nfs/dbraw/zinc/77/92/35/938779235.db2.gz	DMYVQTJXWNOMBW-BJZITVGISA-N	1	0	369.469	1.217	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC=C)CC1	ZINC001130282546	938780031	/nfs/dbraw/zinc/78/00/31/938780031.db2.gz	WIZRIBJTJOMJNF-XLIONFOSSA-N	1	0	363.502	1.631	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCCCF)CC1	ZINC001130282786	938780090	/nfs/dbraw/zinc/78/00/90/938780090.db2.gz	ZYPIRGXIUSMMEH-KYJSFNMBSA-N	1	0	366.481	1.761	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCOCC(C)C)CC1	ZINC001130276504	938787259	/nfs/dbraw/zinc/78/72/59/938787259.db2.gz	COGMMSDUORVJSB-XLIONFOSSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COC(C)C)CC1	ZINC001130276665	938787551	/nfs/dbraw/zinc/78/75/51/938787551.db2.gz	KFJYCSRVJKGKAX-APWZRJJASA-N	1	0	351.491	1.463	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2ccoc2)CC1	ZINC001130285793	938790617	/nfs/dbraw/zinc/79/06/17/938790617.db2.gz	PRWJMLAPCCXKEN-NQIIRXRSSA-N	1	0	371.481	1.711	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C(C)C)CC1	ZINC001130288010	938792698	/nfs/dbraw/zinc/79/26/98/938792698.db2.gz	HMRDSSYNZJCEDP-MNEFBYGVSA-N	1	0	351.491	1.197	20	30		FDEDRO
CC[C@@H](F)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C#CC2CC2)CC1	ZINC001130290525	938795110	/nfs/dbraw/zinc/79/51/10/938795110.db2.gz	BHTIFQBPZIOEDB-HLIPFELVSA-N	1	0	363.477	1.623	20	30		FDEDRO
C[C@@H](F)CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C#CC2CC2)CC1	ZINC001130290593	938795171	/nfs/dbraw/zinc/79/51/71/938795171.db2.gz	GNXUDFDYJTYKSM-ZTQAJYAQSA-N	1	0	363.477	1.623	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCO)CC1	ZINC001130295487	938797729	/nfs/dbraw/zinc/79/77/29/938797729.db2.gz	DPHIVXZIWUUKFO-SUMDDJOVSA-N	1	0	365.518	1.447	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+]([C@H](C)COC)CC1	ZINC001130295768	938798289	/nfs/dbraw/zinc/79/82/89/938798289.db2.gz	REUJNZVWNAYWMF-KYJSFNMBSA-N	1	0	365.518	1.709	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](CCC)OC)CC1	ZINC001130295855	938798299	/nfs/dbraw/zinc/79/82/99/938798299.db2.gz	VNNWJKINFZLLGM-LMMKCTJWSA-N	1	0	363.502	1.300	20	30		FDEDRO
C=CCOCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](F)CC)CC1	ZINC001130295886	938798463	/nfs/dbraw/zinc/79/84/63/938798463.db2.gz	WUESKNYNGIIYNE-NUJGCVRESA-N	1	0	369.481	1.413	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@H](C)c2ccco2)CC1	ZINC001130304965	938803320	/nfs/dbraw/zinc/80/33/20/938803320.db2.gz	GYAZDPBJQJVBNW-XPIZARPCSA-N	1	0	371.481	1.882	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2ncccn2)CC1	ZINC001130304963	938803436	/nfs/dbraw/zinc/80/34/36/938803436.db2.gz	GXMFWNBHZSWWQJ-UZLBHIALSA-N	1	0	371.485	1.071	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCC)CC1	ZINC001130309000	938806199	/nfs/dbraw/zinc/80/61/99/938806199.db2.gz	ACKAYUUFSBNXKS-XLIONFOSSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1CCNC(=O)OC(C)(C)C	ZINC000805765018	938826931	/nfs/dbraw/zinc/82/69/31/938826931.db2.gz	NIBHYJKNCAJMER-AWEZNQCLSA-N	1	0	368.478	1.768	20	30		FDEDRO
C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1nc2ccccc2c(=O)n1CC#N	ZINC000805769073	938827814	/nfs/dbraw/zinc/82/78/14/938827814.db2.gz	RRISEUGKZKNKHA-YJBOKZPZSA-N	1	0	351.454	1.979	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130524369	938890624	/nfs/dbraw/zinc/89/06/24/938890624.db2.gz	FPOZUFZTXKYYFS-FUHWJXTLSA-N	1	0	356.474	1.247	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc(C)cn2)C[C@H]1c1cn(C)cn1	ZINC001130522338	938897255	/nfs/dbraw/zinc/89/72/55/938897255.db2.gz	BGUNXPRRJAQXRS-ZIFCJYIRSA-N	1	0	370.501	1.864	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@@H]2CCOC2)C1	ZINC001130576161	939879055	/nfs/dbraw/zinc/87/90/55/939879055.db2.gz	JCVJYNDWXZKKNU-JENIJYKNSA-N	1	0	358.486	1.534	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCOCC=C)C2)CCC1	ZINC001130610894	939908211	/nfs/dbraw/zinc/90/82/11/939908211.db2.gz	UYFJLQHYNOEDQU-PKOBYXMFSA-N	1	0	370.497	1.700	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2cnc(C)o2)C[C@H]1c1cn(C)cn1	ZINC001130607490	939918992	/nfs/dbraw/zinc/91/89/92/939918992.db2.gz	DILSJMNJSINFBO-FUHWJXTLSA-N	1	0	357.458	1.809	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C2(COC)CCCCC2)C[C@H]1c1cn(C)cn1	ZINC001130607833	939919675	/nfs/dbraw/zinc/91/96/75/939919675.db2.gz	MRPDFDSVPNKAJB-FUHWJXTLSA-N	1	0	358.486	1.534	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cncc3[nH]ccc32)C[C@H]1c1cn(C)cn1	ZINC001130622174	939920773	/nfs/dbraw/zinc/92/07/73/939920773.db2.gz	UZYPRVAFFATUAM-QFBILLFUSA-N	1	0	362.437	1.518	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc3nccn3c2)C[C@H]1c1cn(C)cn1	ZINC001130626671	939924370	/nfs/dbraw/zinc/92/43/70/939924370.db2.gz	RGXJCGWLIJTKFI-DOTOQJQBSA-N	1	0	365.441	1.237	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ncc(F)cc2F)C[C@H]1c1cn(C)cn1	ZINC001130617002	939928671	/nfs/dbraw/zinc/92/86/71/939928671.db2.gz	OAEMHOAGKXASJU-XJKSGUPXSA-N	1	0	359.380	1.314	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2(F)CCCC2)C[C@H]1c1cn(C)cn1	ZINC001130619184	939929860	/nfs/dbraw/zinc/92/98/60/939929860.db2.gz	FYXMEQCVUPZMES-DOTOQJQBSA-N	1	0	362.449	1.236	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@H]1c1cn(C)cn1	ZINC001130630073	939934563	/nfs/dbraw/zinc/93/45/63/939934563.db2.gz	DNKUKKKFVFGISO-BEIYGRMHSA-N	1	0	356.470	1.143	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn(C(C)C)cn2)C[C@H]1c1cn(C)cn1	ZINC001130632510	939935932	/nfs/dbraw/zinc/93/59/32/939935932.db2.gz	CUMXNVWZKYTYPT-DOTOQJQBSA-N	1	0	356.474	1.971	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2cnn(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130634961	939937112	/nfs/dbraw/zinc/93/71/12/939937112.db2.gz	BYCZHUJJDLPSEY-VDZJLULYSA-N	1	0	368.485	1.255	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2n[nH]nc2C)C[C@H]1c1cn(C)cn1	ZINC001130637634	939939446	/nfs/dbraw/zinc/93/94/46/939939446.db2.gz	DAXVXGNMZVPTJB-DOTOQJQBSA-N	1	0	371.489	1.791	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(OC)ccn2)C[C@H]1c1cn(C)cn1	ZINC001130638001	939940261	/nfs/dbraw/zinc/94/02/61/939940261.db2.gz	XETMRJRWSGFSEX-QFBILLFUSA-N	1	0	369.469	1.988	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](CCC)OC)C[C@H]1c1cn(C)cn1	ZINC001130639766	939941831	/nfs/dbraw/zinc/94/18/31/939941831.db2.gz	OPFRBSZNQKJEBD-JQHSSLGASA-N	1	0	364.490	1.322	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCC[C@H](C)O)C1	ZINC001130644387	939952635	/nfs/dbraw/zinc/95/26/35/939952635.db2.gz	POGJHTRDCUXXRU-JENIJYKNSA-N	1	0	360.502	1.659	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(=O)NCC)C1	ZINC001130657114	939961544	/nfs/dbraw/zinc/96/15/44/939961544.db2.gz	ZLZZMTKPBGYXTJ-HLLBOEOZSA-N	1	0	361.490	1.043	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1c1cn(C)cn1	ZINC001130680158	939968428	/nfs/dbraw/zinc/96/84/28/939968428.db2.gz	CRQSFIYLLONUMM-VYDRJQSISA-N	1	0	358.486	1.838	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cc2C)C[C@H]1c1cn(C)cn1	ZINC001130672785	939971927	/nfs/dbraw/zinc/97/19/27/939971927.db2.gz	ZEVGTJRJANEQIQ-FUHWJXTLSA-N	1	0	369.469	1.993	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130674686	939972727	/nfs/dbraw/zinc/97/27/27/939972727.db2.gz	AINFGJAWWZXOCP-FUHWJXTLSA-N	1	0	371.489	1.032	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C)C(C)(F)F)C[C@H]1c1cn(C)cn1	ZINC001130675165	939973060	/nfs/dbraw/zinc/97/30/60/939973060.db2.gz	PANAYHIGOGOIAR-OFQRWUPVSA-N	1	0	370.444	1.798	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(=O)NCC)C1	ZINC001130685117	939974487	/nfs/dbraw/zinc/97/44/87/939974487.db2.gz	DZFAPDQUILSOCA-GOEBONIOSA-N	1	0	361.490	1.043	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(F)c(OC)c2)C[C@H]1c1cn(C)cn1	ZINC001130685356	939975347	/nfs/dbraw/zinc/97/53/47/939975347.db2.gz	PUTJPMIEFBEMQR-MAUKXSAKSA-N	1	0	370.428	1.789	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2ccco2)C[C@H]1c1cn(C)cn1	ZINC001130690149	939980057	/nfs/dbraw/zinc/98/00/57/939980057.db2.gz	ZHRVLGCUZBGCTL-HHXXYDBFSA-N	1	0	354.454	1.799	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)nc(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130692541	939981219	/nfs/dbraw/zinc/98/12/19/939981219.db2.gz	PTGGGBSZBUJQCP-MAUKXSAKSA-N	1	0	354.458	1.601	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3nncn3c2)C[C@H]1c1cn(C)cn1	ZINC001130692591	939981317	/nfs/dbraw/zinc/98/13/17/939981317.db2.gz	SCJVYZYYQQWKTN-DOTOQJQBSA-N	1	0	365.441	1.237	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2c(C)n[nH]c2C)C[C@H]1c1cn(C)cn1	ZINC001130698162	939992446	/nfs/dbraw/zinc/99/24/46/939992446.db2.gz	BZDNJNFIXHTLRN-QANKJYHBSA-N	1	0	368.485	1.471	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCCOC2)C[C@H]1c1cn(C)cn1	ZINC001130700898	939996127	/nfs/dbraw/zinc/99/61/27/939996127.db2.gz	IQKYPWKFVRIYAJ-JENIJYKNSA-N	1	0	358.486	1.534	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCCOC)C2)nc1	ZINC001130715289	940007623	/nfs/dbraw/zinc/00/76/23/940007623.db2.gz	WNFHNKXMNHAEDV-QFBILLFUSA-N	1	0	367.453	1.031	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C)CCOC)C[C@H]1c1cn(C)cn1	ZINC001130728387	940016583	/nfs/dbraw/zinc/01/65/83/940016583.db2.gz	CAJLUHJWUBENOS-SOLBZPMBSA-N	1	0	364.490	1.179	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COc2cccc(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130728396	940016632	/nfs/dbraw/zinc/01/66/32/940016632.db2.gz	CPMHIPGMCIGTQY-AZUAARDMSA-N	1	0	366.465	1.715	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCN(C)C(C)=O)C[C@H]1c1cn(C)cn1	ZINC001130722030	940026048	/nfs/dbraw/zinc/02/60/48/940026048.db2.gz	XDPTWHCHHMIWGD-FUHWJXTLSA-N	1	0	361.490	1.139	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COc2ccc(F)cc2)C[C@H]1c1cn(C)cn1	ZINC001130726340	940030808	/nfs/dbraw/zinc/03/08/08/940030808.db2.gz	TWTTTYLGZRIXOB-PKOBYXMFSA-N	1	0	370.428	1.546	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCCn2ccnc2)C[C@H]1c1cn(C)cn1	ZINC001130739635	940041089	/nfs/dbraw/zinc/04/10/89/940041089.db2.gz	IBBIXEDOSIUCOU-FUHWJXTLSA-N	1	0	354.458	1.004	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCOc2cccnc2)C[C@H]1c1cn(C)cn1	ZINC001130731491	940044717	/nfs/dbraw/zinc/04/47/17/940044717.db2.gz	GXBQAXWFOPDWSE-PKOBYXMFSA-N	1	0	367.453	1.192	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C)OCCOCC)C[C@H]1c1cn(C)cn1	ZINC001130731756	940045178	/nfs/dbraw/zinc/04/51/78/940045178.db2.gz	OFNIWGLAHYLRCJ-XYJFISCASA-N	1	0	364.490	1.322	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH]nc3C2)C[C@H]1c1cn(C)cn1	ZINC001130731744	940045332	/nfs/dbraw/zinc/04/53/32/940045332.db2.gz	NTHKEDIXLZTAEI-URLQWDBASA-N	1	0	368.485	1.408	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccccn2)C1	ZINC001130741890	940045983	/nfs/dbraw/zinc/04/59/83/940045983.db2.gz	VJJZBJBKJVTYOL-HHXXYDBFSA-N	1	0	369.469	1.490	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cccnc2)C1	ZINC001130741861	940046180	/nfs/dbraw/zinc/04/61/80/940046180.db2.gz	SQWPWFFCDXFJQF-HHXXYDBFSA-N	1	0	369.469	1.490	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3CCC3)n2)O1	ZINC001130744707	940048392	/nfs/dbraw/zinc/04/83/92/940048392.db2.gz	ITHUPAIWUUWPKS-LSDHHAIUSA-N	1	0	363.462	1.233	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3CCCCC3)n2)O1	ZINC001130749441	940056126	/nfs/dbraw/zinc/05/61/26/940056126.db2.gz	HMQBLHIAEYXISV-JKSUJKDBSA-N	1	0	359.474	1.834	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CSC)n2)O1	ZINC001130753202	940062508	/nfs/dbraw/zinc/06/25/08/940062508.db2.gz	WTHNPAQONGNTNO-QWHCGFSZSA-N	1	0	353.492	1.560	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCCO3)n2)O1	ZINC001130753204	940062864	/nfs/dbraw/zinc/06/28/64/940062864.db2.gz	WVJUVZTVOLIWDO-ZNMIVQPWSA-N	1	0	363.462	1.376	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCOC)n2)O1	ZINC001130754269	940065684	/nfs/dbraw/zinc/06/56/84/940065684.db2.gz	BLXVSQUBLLVJFZ-SOUVJXGZSA-N	1	0	365.478	1.622	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COC(C)C)n2)O1	ZINC001130761642	940067739	/nfs/dbraw/zinc/06/77/39/940067739.db2.gz	FIWOXDQRGPKCQE-LSDHHAIUSA-N	1	0	365.478	1.622	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCSC)n2)O1	ZINC001130757595	940082061	/nfs/dbraw/zinc/08/20/61/940082061.db2.gz	BALJPSUSVOSQSK-QWHCGFSZSA-N	1	0	351.476	1.007	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CSCC#N)n2)O1	ZINC001130757815	940082755	/nfs/dbraw/zinc/08/27/55/940082755.db2.gz	HUBTURFKEMRMLK-QWHCGFSZSA-N	1	0	364.475	1.063	20	30		FDEDRO
C=CCOCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C[C@@H](C)CC)O2)n[nH]1	ZINC001130767495	940101589	/nfs/dbraw/zinc/10/15/89/940101589.db2.gz	KXLOWPVOGHSZSB-SOUVJXGZSA-N	1	0	365.478	1.479	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3CCCCCC3)n2)O1	ZINC001130769841	940107784	/nfs/dbraw/zinc/10/77/84/940107784.db2.gz	QRMKEAXLNAIXGU-JKSUJKDBSA-N	1	0	359.474	1.834	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)CSC)n2)O1	ZINC001130772553	940112740	/nfs/dbraw/zinc/11/27/40/940112740.db2.gz	RLFFLOCYHZHEAB-MELADBBJSA-N	1	0	365.503	1.253	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C#CC3CC3)n2)O1	ZINC001130785243	940119533	/nfs/dbraw/zinc/11/95/33/940119533.db2.gz	HFLZCBXRQJTILQ-BHYGNILZSA-N	1	0	371.485	1.999	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(C(F)F)CC3)n2)O1	ZINC001130785450	940120190	/nfs/dbraw/zinc/12/01/90/940120190.db2.gz	NSFMEVZGHSNZGI-NWDGAFQWSA-N	1	0	369.416	1.852	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC(C)C)O2)n[nH]1	ZINC001130778107	940130864	/nfs/dbraw/zinc/13/08/64/940130864.db2.gz	GHVBMGDVTWJYQU-IYOUNJFTSA-N	1	0	365.478	1.214	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3ccoc3)n2)O1	ZINC001130778475	940132002	/nfs/dbraw/zinc/13/20/02/940132002.db2.gz	ZZOVBGYARGDMBZ-LSDHHAIUSA-N	1	0	359.430	1.642	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(C)CC3)n2)O1	ZINC001130787467	940156710	/nfs/dbraw/zinc/15/67/10/940156710.db2.gz	TWGJOOOUPXDIDH-NWDGAFQWSA-N	1	0	353.854	1.783	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3ccc(C)cc3)n2)O1	ZINC001130792618	940171398	/nfs/dbraw/zinc/17/13/98/940171398.db2.gz	NAZUHLZSKNHJQO-DLBZAZTESA-N	1	0	369.469	1.968	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC3=CCOCC3)n2)O1	ZINC001130804865	940176828	/nfs/dbraw/zinc/17/68/28/940176828.db2.gz	QNLABMQIXVQZHQ-LSDHHAIUSA-N	1	0	361.446	1.153	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCOC)O2)n[nH]1	ZINC001130802436	940197963	/nfs/dbraw/zinc/19/79/63/940197963.db2.gz	UMHYGBXZHARYDX-PMUMKWKESA-N	1	0	365.478	1.479	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H](C)COC)n2)O1	ZINC001130813763	940213432	/nfs/dbraw/zinc/21/34/32/940213432.db2.gz	WKCNFXJDDQSHFY-HZSPNIEDSA-N	1	0	351.451	1.089	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3cccc(F)c3)n2)O1	ZINC001130817268	940222106	/nfs/dbraw/zinc/22/21/06/940222106.db2.gz	JFNHSDFBMLZLSO-JKSUJKDBSA-N	1	0	371.416	1.246	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccnc(C)n3)n2)O1	ZINC001130819671	940226342	/nfs/dbraw/zinc/22/63/42/940226342.db2.gz	CPIYNJWKKJUQOP-DZGCQCFKSA-N	1	0	371.445	1.219	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2occc2C)C[C@H]1c1cncn1C	ZINC001130903209	940312237	/nfs/dbraw/zinc/31/22/37/940312237.db2.gz	ZCQMZHVNYJCGDB-HZPDHXFCSA-N	1	0	358.442	1.722	20	30		FDEDRO
CC(C)CCC[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@H]1c1cncn1C	ZINC001130920641	940330523	/nfs/dbraw/zinc/33/05/23/940330523.db2.gz	BRHIQDJCCYENDR-HZPDHXFCSA-N	1	0	363.531	1.997	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cscn2)C[C@H]1c1cncn1C	ZINC001130935868	940331871	/nfs/dbraw/zinc/33/18/71/940331871.db2.gz	PATZJAQBBSMQTA-ZIAGYGMSSA-N	1	0	361.471	1.277	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)C(C)C)C[C@H]1c1cncn1C	ZINC001130940606	940351286	/nfs/dbraw/zinc/35/12/86/940351286.db2.gz	FDVFJKCUQOUCGC-KZNAEPCWSA-N	1	0	360.502	1.636	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc[nH]c(=O)c2)C[C@H]1c1cncn1C	ZINC001130957218	940362512	/nfs/dbraw/zinc/36/25/12/940362512.db2.gz	NYDCYQNVXAKVGD-HZPDHXFCSA-N	1	0	355.442	1.685	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CCC2CCC2)C[C@H]1c1cncn1C	ZINC001130951827	940371088	/nfs/dbraw/zinc/37/10/88/940371088.db2.gz	SEIVPSJCNKJPCL-QZTJIDSGSA-N	1	0	358.486	1.534	20	30		FDEDRO
CC(C)OCC[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1c1cncn1C	ZINC001130951948	940371703	/nfs/dbraw/zinc/37/17/03/940371703.db2.gz	YGELUVRPZBKRTC-NVXWUHKLSA-N	1	0	370.457	1.243	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@@H]([NH2+][C@H](C)CC)c2ccco2)CC1	ZINC000807441630	940373679	/nfs/dbraw/zinc/37/36/79/940373679.db2.gz	LTSYIVJJIUPZQO-NVXWUHKLSA-N	1	0	374.485	1.880	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCN2S(=O)(=O)CCCC)CC1	ZINC000747401956	940395350	/nfs/dbraw/zinc/39/53/50/940395350.db2.gz	FZNDCGWQIVXFCF-QGZVFWFLSA-N	1	0	369.531	1.185	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H](C)N2C(=O)c3ccc(C)cc3C2=O)CC1	ZINC000747404158	940401877	/nfs/dbraw/zinc/40/18/77/940401877.db2.gz	HKFMPDDGNDSNCR-HNNXBMFYSA-N	1	0	367.449	1.583	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CO[C@H]2CCOC2)C[C@H]1c1cncn1C	ZINC001130988304	940410424	/nfs/dbraw/zinc/41/04/24/940410424.db2.gz	BLQMDWYQSOUOPK-GVDBMIGSSA-N	1	0	362.474	1.076	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)CC1	ZINC000747403293	940412614	/nfs/dbraw/zinc/41/26/14/940412614.db2.gz	WDSZIFPCYPMDKC-HNNXBMFYSA-N	1	0	351.516	1.538	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1C#N	ZINC000807606136	940427498	/nfs/dbraw/zinc/42/74/98/940427498.db2.gz	XQLXMJXAXFCUKH-ZDUSSCGKSA-N	1	0	360.458	1.276	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(COC)CCCC2)C[C@H]1c1cncn1C	ZINC001131005979	940432327	/nfs/dbraw/zinc/43/23/27/940432327.db2.gz	GHVDQZZTIZJIKL-IAGOWNOFSA-N	1	0	358.486	1.534	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@@H](C)COC)C1	ZINC001131007606	940433958	/nfs/dbraw/zinc/43/39/58/940433958.db2.gz	CABMKWJVQMDXCG-GVDBMIGSSA-N	1	0	371.485	1.640	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccn2CC=C)C[C@H]1c1cncn1C	ZINC001131007988	940434540	/nfs/dbraw/zinc/43/45/40/940434540.db2.gz	QSEAZVDRVSQXPV-IAGOWNOFSA-N	1	0	351.454	1.629	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccnn2CCC)C[C@H]1c1cncn1C	ZINC001130999275	940436062	/nfs/dbraw/zinc/43/60/62/940436062.db2.gz	NMGYPFVVYWZERC-HZPDHXFCSA-N	1	0	354.458	1.248	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2CC)C[C@H]1c1cncn1C	ZINC001131012405	940444137	/nfs/dbraw/zinc/44/41/37/940444137.db2.gz	HTEDXFFEZIDFOI-CRAIPNDOSA-N	1	0	370.501	1.880	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@]23CCC[C@H]2OCC3)C[C@H]1c1cncn1C	ZINC001131025969	940459319	/nfs/dbraw/zinc/45/93/19/940459319.db2.gz	MOOKQFDYWQPOMP-CIWUYKSXSA-N	1	0	358.486	1.839	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1c1cncn1C	ZINC001131038475	940466766	/nfs/dbraw/zinc/46/67/66/940466766.db2.gz	UCZXGJCSTNTJBC-HUUCEWRRSA-N	1	0	371.441	1.276	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCn2nc(C)cc2C)C[C@H]1c1cncn1C	ZINC001131040058	940467851	/nfs/dbraw/zinc/46/78/51/940467851.db2.gz	JINDUYISZNVBDL-QZTJIDSGSA-N	1	0	368.485	1.231	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)on2)C[C@H]1c1cncn1C	ZINC001131040085	940468075	/nfs/dbraw/zinc/46/80/75/940468075.db2.gz	LBPWBQAUPXVWEY-GDBMZVCRSA-N	1	0	353.426	1.507	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCNC(=O)C(C)(C)C)C[C@H]1c1cncn1C	ZINC001131040361	940468440	/nfs/dbraw/zinc/46/84/40/940468440.db2.gz	STCROINXOFDCNS-HUUCEWRRSA-N	1	0	361.490	1.043	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2cncnc2)C[C@H]1c1cncn1C	ZINC001131031798	940469229	/nfs/dbraw/zinc/46/92/29/940469229.db2.gz	XNQLKFQIIJGUCR-IAGOWNOFSA-N	1	0	354.458	1.303	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cncnc2)C[C@H]1c1cncn1C	ZINC001131051207	940471044	/nfs/dbraw/zinc/47/10/44/940471044.db2.gz	FTKOVYLRFNKQHD-DJIMGWMZSA-N	1	0	354.458	1.474	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@H](C)COC)C1	ZINC001131044192	940473152	/nfs/dbraw/zinc/47/31/52/940473152.db2.gz	RYDSCOPMIGOPBJ-KZNAEPCWSA-N	1	0	360.502	1.923	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCCOC)C1	ZINC001131051309	940475925	/nfs/dbraw/zinc/47/59/25/940475925.db2.gz	HNJVNHQENVKDKK-QZTJIDSGSA-N	1	0	360.502	1.924	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cn(C)nc2C)C1	ZINC001131060168	940478986	/nfs/dbraw/zinc/47/89/86/940478986.db2.gz	XLNYDBFKAVPKQY-QZTJIDSGSA-N	1	0	370.501	1.903	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@@H]2CCOC2)C1	ZINC001131051682	940480213	/nfs/dbraw/zinc/48/02/13/940480213.db2.gz	UENICQXAOVPROI-RCCFBDPRSA-N	1	0	358.486	1.534	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CCOC)C1	ZINC001131066597	940482402	/nfs/dbraw/zinc/48/24/02/940482402.db2.gz	JMPVLPRDGNEIDB-MBOZVWFJSA-N	1	0	358.486	1.556	20	30		FDEDRO
CCC[C@@H]1C[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CCOC)C1	ZINC001131067051	940482602	/nfs/dbraw/zinc/48/26/02/940482602.db2.gz	QSLQWHFPOOLSGW-BRSBDYLESA-N	1	0	358.486	1.390	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cc2C)C[C@H]1c1cncn1C	ZINC001131068061	940483174	/nfs/dbraw/zinc/48/31/74/940483174.db2.gz	KQIMBFITQJCUHO-HZPDHXFCSA-N	1	0	355.442	1.603	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccn(C(C)C)n2)C[C@H]1c1cncn1C	ZINC001131081813	940487792	/nfs/dbraw/zinc/48/77/92/940487792.db2.gz	BMKJFFORPIDGCU-NVXWUHKLSA-N	1	0	354.458	1.419	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)no2)C[C@H]1c1cncn1C	ZINC001131083989	940489081	/nfs/dbraw/zinc/48/90/81/940489081.db2.gz	HYDAODGWYHNCEJ-GDBMZVCRSA-N	1	0	353.426	1.507	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1c1cncn1C	ZINC001131073751	940490264	/nfs/dbraw/zinc/49/02/64/940490264.db2.gz	MNNASCLLDKYFFG-YYIAUSFCSA-N	1	0	373.501	1.172	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3ccncc3C2)C[C@H]1c1cncn1C	ZINC001131073738	940490267	/nfs/dbraw/zinc/49/02/67/940490267.db2.gz	LZGYADWXYXMWNY-QXAKKESOSA-N	1	0	363.465	1.137	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)CCO3)C[C@H]1c1cncn1C	ZINC001131076653	940491427	/nfs/dbraw/zinc/49/14/27/940491427.db2.gz	WLKZRVOMGHVPAT-QZTJIDSGSA-N	1	0	364.449	1.576	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)CC(C)C)C[C@H]1c1cncn1C	ZINC001131098630	940492971	/nfs/dbraw/zinc/49/29/71/940492971.db2.gz	IIFLSWMEIAFULU-RCCFBDPRSA-N	1	0	360.502	1.636	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCCOC)C[C@H]1c1cncn1C	ZINC001131086355	940493551	/nfs/dbraw/zinc/49/35/51/940493551.db2.gz	NNPNXGXUFIPCEN-GVDBMIGSSA-N	1	0	364.490	1.322	20	30		FDEDRO
COc1ccc(CNC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1C#N	ZINC000747433434	940496311	/nfs/dbraw/zinc/49/63/11/940496311.db2.gz	WRGCJVFKQNDQEY-IRXDYDNUSA-N	1	0	358.442	1.307	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)COCc2ccncc2)C[C@H]1c1cncn1C	ZINC001131093812	940496536	/nfs/dbraw/zinc/49/65/36/940496536.db2.gz	LLPCLMCPZDFGCW-QZTJIDSGSA-N	1	0	369.469	1.492	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(OC)cc2)C[C@H]1c1cncn1C	ZINC001131112458	940498775	/nfs/dbraw/zinc/49/87/75/940498775.db2.gz	DNXSKMKDTWKKOD-RTBURBONSA-N	1	0	366.465	1.579	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]C/C=C/Cl)C2)nc1	ZINC001131112505	940498808	/nfs/dbraw/zinc/49/88/08/940498808.db2.gz	GBPGGWKNCCNIIM-CFUSNMPFSA-N	1	0	369.856	1.747	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)C)C[C@H]1c1cncn1C	ZINC001131112651	940499005	/nfs/dbraw/zinc/49/90/05/940499005.db2.gz	KRUARBLWPNGONU-RRFJBIMHSA-N	1	0	361.490	1.041	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(CC)c[nH]c2=O)C[C@H]1c1cncn1C	ZINC001131100946	940500173	/nfs/dbraw/zinc/50/01/73/940500173.db2.gz	DKBNOZWAOURUDZ-IAGOWNOFSA-N	1	0	369.469	1.857	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@H]1c1cncn1C	ZINC001131105896	940501707	/nfs/dbraw/zinc/50/17/07/940501707.db2.gz	JHJSMRFFOGZYON-HUUCEWRRSA-N	1	0	354.458	1.028	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2csc(C)n2)C[C@H]1c1cncn1C	ZINC001131119575	940505457	/nfs/dbraw/zinc/50/54/57/940505457.db2.gz	JZQHYEUAUKBYOH-HZPDHXFCSA-N	1	0	359.499	1.888	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cnn(C)c2)C[C@H]1c1cncn1C	ZINC001131138416	940509329	/nfs/dbraw/zinc/50/93/29/940509329.db2.gz	AUZZVVRKBLEPID-KBAYOESNSA-N	1	0	370.501	1.808	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2nccs2)C[C@H]1c1cncn1C	ZINC001131127965	940509894	/nfs/dbraw/zinc/50/98/94/940509894.db2.gz	NWFGRGQUGLAZQZ-HUUCEWRRSA-N	1	0	357.483	1.417	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]Cc1cc(Br)c(OC)c(OC)c1	ZINC000747461576	940524247	/nfs/dbraw/zinc/52/42/47/940524247.db2.gz	YKQPJWNXFHLWPN-UHFFFAOYSA-N	1	0	355.232	1.695	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCSC)C1	ZINC001131301160	940547051	/nfs/dbraw/zinc/54/70/51/940547051.db2.gz	NFKVUNUFRUFHLD-KFWWJZLASA-N	1	0	353.488	1.422	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ccc[nH]2)C1	ZINC001131301586	940547356	/nfs/dbraw/zinc/54/73/56/940547356.db2.gz	WYCBOWLNKONALA-OIISXLGYSA-N	1	0	358.442	1.700	20	30		FDEDRO
CCCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C#CC(C)C)C1	ZINC001131307323	940549102	/nfs/dbraw/zinc/54/91/02/940549102.db2.gz	PBLWWPGYJVCIBG-KSZLIROESA-N	1	0	361.486	1.942	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CCCC)C[C@H]32)C1	ZINC001131322904	940551833	/nfs/dbraw/zinc/55/18/33/940551833.db2.gz	HBCNXXBXAUEBHJ-ZACQAIPSSA-N	1	0	365.474	1.485	20	30		FDEDRO
CN1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)C1	ZINC001086664897	940552173	/nfs/dbraw/zinc/55/21/73/940552173.db2.gz	ICRBZASCZQUUCL-IPELMVKDSA-N	1	0	356.470	1.263	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC)CC1	ZINC001131404135	940564430	/nfs/dbraw/zinc/56/44/30/940564430.db2.gz	JEZDIFZAILVEJU-XLIONFOSSA-N	1	0	365.518	1.807	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccccc2)CC1	ZINC001131406402	940565083	/nfs/dbraw/zinc/56/50/83/940565083.db2.gz	PPGLOZHXLXANDN-QUCCMNQESA-N	1	0	369.465	1.035	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)F)CC1	ZINC001131408600	940565485	/nfs/dbraw/zinc/56/54/85/940565485.db2.gz	OGGGTMQPEQJRFU-IMJJTQAJSA-N	1	0	369.481	1.411	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC=CCC2)CC1	ZINC001131416499	940567619	/nfs/dbraw/zinc/56/76/19/940567619.db2.gz	HYXPIZCZDSCJEO-AQNXPRMDSA-N	1	0	360.498	1.978	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCOC)CC1	ZINC001131442647	940592185	/nfs/dbraw/zinc/59/21/85/940592185.db2.gz	VZFOZOYXEIDOQA-QRQLOZEOSA-N	1	0	368.518	1.990	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H]3CCN(C4CCC4)C3=O)C2)c1	ZINC001086669016	940596425	/nfs/dbraw/zinc/59/64/25/940596425.db2.gz	KFPQYBPSHPADQQ-LXZKKBNFSA-N	1	0	369.469	1.528	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)CCC)CC1	ZINC001131437108	940600282	/nfs/dbraw/zinc/60/02/82/940600282.db2.gz	LSLKOJBZMQIWQR-APWZRJJASA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)OC)CC1	ZINC001131437280	940600990	/nfs/dbraw/zinc/60/09/90/940600990.db2.gz	SYVRFYQBNRVOCZ-WBVHZDCISA-N	1	0	353.463	1.294	20	30		FDEDRO
C=CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NCCC)CC1	ZINC001131448837	940602716	/nfs/dbraw/zinc/60/27/16/940602716.db2.gz	SYXHOFFGUJKGQU-APWZRJJASA-N	1	0	351.491	1.465	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)/C(C)=C\CC)CC1	ZINC001131458691	940613678	/nfs/dbraw/zinc/61/36/78/940613678.db2.gz	TXWVEEXCRBMOMD-OWUGGELOSA-N	1	0	361.486	1.078	20	30		FDEDRO
C=CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N(C)C2CC2)CC1	ZINC001131445423	940617330	/nfs/dbraw/zinc/61/73/30/940617330.db2.gz	XJRMSNDSDIZKJV-XLIONFOSSA-N	1	0	363.502	1.559	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccn(C)c2)CC1	ZINC001131476032	940618871	/nfs/dbraw/zinc/61/88/71/940618871.db2.gz	OOPPUCVVIXEMGR-MOPGFXCFSA-N	1	0	359.470	1.274	20	30		FDEDRO
C#CCCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H]2CCNC2=O)CC1	ZINC001131476181	940619407	/nfs/dbraw/zinc/61/94/07/940619407.db2.gz	VBWHBTHSASUAFK-AOIWGVFYSA-N	1	0	361.486	1.054	20	30		FDEDRO
C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCCC)CC1	ZINC001131464334	940621826	/nfs/dbraw/zinc/62/18/26/940621826.db2.gz	MYYZRGQLRIGQDM-QUCCMNQESA-N	1	0	368.518	1.991	20	30		FDEDRO
CC[C@H](C)OCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC#CCOC)CC1	ZINC001131470888	940626526	/nfs/dbraw/zinc/62/65/26/940626526.db2.gz	XWAFPEOHQQDTSG-HQRMLTQVSA-N	1	0	366.502	1.437	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC2(C)C)CC1	ZINC001131473077	940627982	/nfs/dbraw/zinc/62/79/82/940627982.db2.gz	MEHYYDUJYASZGZ-JZXOWHBKSA-N	1	0	363.502	1.320	20	30		FDEDRO
C#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NCCC)CC1	ZINC001131487795	940631175	/nfs/dbraw/zinc/63/11/75/940631175.db2.gz	GCTKBYUTQWMAAT-XLIONFOSSA-N	1	0	363.502	1.302	20	30		FDEDRO
C#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NC(C)C)CC1	ZINC001131483140	940638288	/nfs/dbraw/zinc/63/82/88/940638288.db2.gz	PAHZCDSIPHSHGK-XLIONFOSSA-N	1	0	363.502	1.300	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2COC(=O)N2)CC1	ZINC001131490887	940641177	/nfs/dbraw/zinc/64/11/77/940641177.db2.gz	FWJOSUJZDVCVPX-OAGGEKHMSA-N	1	0	351.447	1.047	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnc(N(C)C)cn2)CC1	ZINC001131498935	940649280	/nfs/dbraw/zinc/64/92/80/940649280.db2.gz	UQFLHGIAXSNCKC-APWZRJJASA-N	1	0	371.485	1.165	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnc(N(C)C)cn2)CC1	ZINC001131498833	940649341	/nfs/dbraw/zinc/64/93/41/940649341.db2.gz	OPNODOCQGJQCQZ-APWZRJJASA-N	1	0	371.485	1.165	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccc3n[nH]nc32)CC1	ZINC001131502383	940652678	/nfs/dbraw/zinc/65/26/78/940652678.db2.gz	BXJFQTIGHSZLQA-MJGOQNOKSA-N	1	0	367.453	1.581	20	30		FDEDRO
C=C(C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cn(C)nn2)CC1	ZINC001131510599	940659938	/nfs/dbraw/zinc/65/99/38/940659938.db2.gz	RZSHRANWAXOALQ-MJGOQNOKSA-N	1	0	361.490	1.657	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCNC2=O)CC1	ZINC001131515380	940679727	/nfs/dbraw/zinc/67/97/27/940679727.db2.gz	HHYOLPHMCXTKJP-KURKYZTESA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@]2(CC)CCNC2=O)CC1	ZINC001131515467	940680284	/nfs/dbraw/zinc/68/02/84/940680284.db2.gz	MEECGDFEAMLYDV-FUHIMQAGSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(OCC)n[nH]2)CC1	ZINC001131519047	940687630	/nfs/dbraw/zinc/68/76/30/940687630.db2.gz	CIBIGZDSXKVWOV-QAPCUYQASA-N	1	0	362.474	1.984	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn3c2CCC3)CC1	ZINC001131511990	940693796	/nfs/dbraw/zinc/69/37/96/940693796.db2.gz	GZNWXTURDGDKJY-MJGOQNOKSA-N	1	0	356.470	1.452	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c(C)nnn2CC)CC1	ZINC001131512079	940694256	/nfs/dbraw/zinc/69/42/56/940694256.db2.gz	MKLSLFGJOCXCBQ-AEFFLSMTSA-N	1	0	359.474	1.229	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2nccn2C)CC1	ZINC001131533458	940704361	/nfs/dbraw/zinc/70/43/61/940704361.db2.gz	FQMZDBKSQQCNOO-XLIONFOSSA-N	1	0	358.486	1.362	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCCNC(N)=O)CC1	ZINC001131526423	940711440	/nfs/dbraw/zinc/71/14/40/940711440.db2.gz	RSFNZVIUMMYQTK-AEFFLSMTSA-N	1	0	366.506	1.387	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn3cccnc23)CC1	ZINC001131543487	940719138	/nfs/dbraw/zinc/71/91/38/940719138.db2.gz	DPEDUKISDMMSIR-MSOLQXFVSA-N	1	0	367.453	1.352	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H](O)COC)CC1	ZINC001131538647	940726592	/nfs/dbraw/zinc/72/65/92/940726592.db2.gz	RAFVORSKFAEOEQ-KSZLIROESA-N	1	0	368.518	1.582	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H](O)COC)CC1	ZINC001131538649	940726654	/nfs/dbraw/zinc/72/66/54/940726654.db2.gz	RAFVORSKFAEOEQ-KURKYZTESA-N	1	0	368.518	1.582	20	30		FDEDRO
C=C1CC(C)(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(=O)NCC)CC2)C1	ZINC001131559753	940733715	/nfs/dbraw/zinc/73/37/15/940733715.db2.gz	GTWKRBUHFVHNHJ-AEFFLSMTSA-N	1	0	363.502	1.465	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(CF)CC2)CC1	ZINC001131559657	940733782	/nfs/dbraw/zinc/73/37/82/940733782.db2.gz	BUPAIDJENMFLMB-SJORKVTESA-N	1	0	352.450	1.372	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC(C)(F)F)CC1	ZINC001131559971	940734167	/nfs/dbraw/zinc/73/41/67/940734167.db2.gz	QHAKWONKXKEXEN-WBVHZDCISA-N	1	0	358.429	1.667	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCCC(=O)N2)CC1	ZINC001131564092	940740187	/nfs/dbraw/zinc/74/01/87/940740187.db2.gz	ANDJPFQEQBHMEW-AOIWGVFYSA-N	1	0	361.486	1.054	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)C(C)C)CC1	ZINC001131573443	940749334	/nfs/dbraw/zinc/74/93/34/940749334.db2.gz	YFWLPWOVGRRSDM-SUMDDJOVSA-N	1	0	363.502	1.014	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COc2cccnc2)CC1	ZINC001131577706	940754711	/nfs/dbraw/zinc/75/47/11/940754711.db2.gz	BYAVJKRRGWRMBO-QUCCMNQESA-N	1	0	357.454	1.469	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc3nccn3c2)CC1	ZINC001131592978	940763977	/nfs/dbraw/zinc/76/39/77/940763977.db2.gz	FRMOFHBYRWYLPC-QUCCMNQESA-N	1	0	366.465	1.957	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc3ncccn3n2)CC1	ZINC001131580128	940766532	/nfs/dbraw/zinc/76/65/32/940766532.db2.gz	LLZZXUFYDKFALA-APWZRJJASA-N	1	0	367.453	1.352	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2ccccc2=O)CC1	ZINC001131601550	940785193	/nfs/dbraw/zinc/78/51/93/940785193.db2.gz	ISRFVIJEOHNDLG-XLIONFOSSA-N	1	0	359.470	1.410	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCN2C(C)=O)CC1	ZINC001131608466	940788213	/nfs/dbraw/zinc/78/82/13/940788213.db2.gz	BFVGEEBJAGGUKK-QRVBRYPASA-N	1	0	361.486	1.006	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCCOC)CC1	ZINC001131610278	940789966	/nfs/dbraw/zinc/78/99/66/940789966.db2.gz	JMPPLOPLDLBROA-QRQLOZEOSA-N	1	0	368.518	1.990	20	30		FDEDRO
C=CCCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCC[C@H](C)O)CC1	ZINC001131610594	940790914	/nfs/dbraw/zinc/79/09/14/940790914.db2.gz	YEWXPHASEMGCAO-HQRMLTQVSA-N	1	0	368.518	1.726	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCNC(=O)CC(C)C)CC1	ZINC001131612075	940791523	/nfs/dbraw/zinc/79/15/23/940791523.db2.gz	CBIVWBOVHPJBHN-XLIONFOSSA-N	1	0	363.502	1.158	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COC[C@H]2CCCO2)CC1	ZINC001131614835	940793783	/nfs/dbraw/zinc/79/37/83/940793783.db2.gz	BIPSAHVOTOJYIN-GGPKGHCWSA-N	1	0	366.502	1.744	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N1CCC(C[N@@H+](C)CCCC)CC1)[C@H]1CCCO1	ZINC000809313036	940815909	/nfs/dbraw/zinc/81/59/09/940815909.db2.gz	QAEZNAPGJVSDTA-ZWKOTPCHSA-N	1	0	363.502	1.254	20	30		FDEDRO
CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)C1	ZINC000809502155	940844914	/nfs/dbraw/zinc/84/49/14/940844914.db2.gz	DVFWRVQWVFDHFM-MRXNPFEDSA-N	1	0	372.469	1.373	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1C#N	ZINC000809504718	940846603	/nfs/dbraw/zinc/84/66/03/940846603.db2.gz	RUEXHYRPRCDVIM-KRWDZBQOSA-N	1	0	370.453	1.316	20	30		FDEDRO
C#Cc1ccc(C[NH2+][C@@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)cc1	ZINC000809613600	940867440	/nfs/dbraw/zinc/86/74/40/940867440.db2.gz	AITJLOMVNWKJRP-AWEZNQCLSA-N	1	0	371.462	1.693	20	30		FDEDRO
CC1CCN(C(=O)C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)CC1	ZINC001086675431	940919817	/nfs/dbraw/zinc/91/98/17/940919817.db2.gz	FAZWFCIMORPRAZ-JKSUJKDBSA-N	1	0	371.485	1.633	20	30		FDEDRO
CC(C)(C)n1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)nn1	ZINC001086676297	940933188	/nfs/dbraw/zinc/93/31/88/940933188.db2.gz	QGMCSNRKJBSXNY-UONOGXRCSA-N	1	0	369.473	1.921	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cn(CC4CC4)nn3)C2)c[nH]1	ZINC001086676471	940948752	/nfs/dbraw/zinc/94/87/52/940948752.db2.gz	FFRIAAIRYFONEI-GOEBONIOSA-N	1	0	367.457	1.576	20	30		FDEDRO
C[C@@H]1CCCN(C(=O)C[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1	ZINC001086676646	940949079	/nfs/dbraw/zinc/94/90/79/940949079.db2.gz	NMHRMXYDHIRVSC-HLLBOEOZSA-N	1	0	371.485	1.633	20	30		FDEDRO
CCc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1C	ZINC001086676867	940949426	/nfs/dbraw/zinc/94/94/26/940949426.db2.gz	YNHXAUKOFXQPIB-GXTWGEPZSA-N	1	0	355.446	1.266	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3nccc(C)n3)C2)C1=O	ZINC001086685018	941063242	/nfs/dbraw/zinc/06/32/42/941063242.db2.gz	QFAPZMGNPHWUCK-XHSDSOJGSA-N	1	0	357.458	1.060	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3COC(=O)N3)C2)cc1F	ZINC001086686337	941072197	/nfs/dbraw/zinc/07/21/97/941072197.db2.gz	QMYZMGFZTZEPJY-SGIREYDYSA-N	1	0	360.389	1.180	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)OCC(=O)NCc2cccc(C#N)c2)C1	ZINC000811444506	941132950	/nfs/dbraw/zinc/13/29/50/941132950.db2.gz	DVPLEYMXXWQRPL-IBGZPJMESA-N	1	0	361.417	1.930	20	30		FDEDRO
CCCCCCC[N@H+](CCO)C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1	ZINC001098480248	941136017	/nfs/dbraw/zinc/13/60/17/941136017.db2.gz	XBEMUPQOFGEZIZ-SJORKVTESA-N	1	0	353.507	1.364	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@@H+](CCO)CCOCC(C)C)CC1	ZINC001098482446	941177768	/nfs/dbraw/zinc/17/77/68/941177768.db2.gz	HDDKEJWYQJDOOZ-MOPGFXCFSA-N	1	0	368.518	1.535	20	30		FDEDRO
COCCn1c(C)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000812061716	941181980	/nfs/dbraw/zinc/18/19/80/941181980.db2.gz	PKXRTMWRIJNEDO-UHFFFAOYSA-N	1	0	354.458	1.817	20	30		FDEDRO
CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N	ZINC000812196428	941186833	/nfs/dbraw/zinc/18/68/33/941186833.db2.gz	QARYPMRUJDBCPH-KKUMJFAQSA-N	1	0	367.494	1.773	20	30		FDEDRO
C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC[C@@H](C(N)=O)O1	ZINC001133407301	941260007	/nfs/dbraw/zinc/26/00/07/941260007.db2.gz	BXHWKLOBPQYUOE-JKSUJKDBSA-N	1	0	365.861	1.477	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C)nnc3C)C2)C1=O	ZINC001086706859	941263246	/nfs/dbraw/zinc/26/32/46/941263246.db2.gz	VILWAQXZSQNPJF-JZXOWHBKSA-N	1	0	371.485	1.368	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2)CC1	ZINC000747818561	941277173	/nfs/dbraw/zinc/27/71/73/941277173.db2.gz	VJDZDRMIXWYOPN-INIZCTEOSA-N	1	0	350.846	1.541	20	30		FDEDRO
C[C@H]1CN(C(=O)NCCNc2ccc(C#N)cn2)CC[N@@H+](C2CCC2)C1	ZINC000813579054	941409825	/nfs/dbraw/zinc/40/98/25/941409825.db2.gz	PZDYVKWILWNUFZ-OAHLLOKOSA-N	1	0	356.474	1.881	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(CCCC)CCCC	ZINC001134054390	941531113	/nfs/dbraw/zinc/53/11/13/941531113.db2.gz	HWRSZNPZFDQLFV-SJORKVTESA-N	1	0	353.507	1.712	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccc(F)c(Cl)c1	ZINC001134049890	941538237	/nfs/dbraw/zinc/53/82/37/941538237.db2.gz	STUKUIRYZJBUPE-DOMZBBRYSA-N	1	0	369.824	1.715	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCCC2)C1	ZINC001086717063	941554311	/nfs/dbraw/zinc/55/43/11/941554311.db2.gz	DSIYSRYFIFQQAE-DLBZAZTESA-N	1	0	358.486	1.785	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ncc(C)cn2)C1	ZINC001086720692	941619261	/nfs/dbraw/zinc/61/92/61/941619261.db2.gz	JHGHPMZGUDSANJ-KSZLIROESA-N	1	0	355.486	1.257	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ncc(C)s2)C1	ZINC001086720958	941621275	/nfs/dbraw/zinc/62/12/75/941621275.db2.gz	XUDGONBKPXTHAK-BBWFWOEESA-N	1	0	360.527	1.924	20	30		FDEDRO
CCc1ccc(C#CC(=O)NCCC[NH+]2CCC(C(=O)OC)CC2)cc1	ZINC000814507500	941660440	/nfs/dbraw/zinc/66/04/40/941660440.db2.gz	LUMNATADXPVYOE-UHFFFAOYSA-N	1	0	356.466	1.992	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1	ZINC000747966080	941697730	/nfs/dbraw/zinc/69/77/30/941697730.db2.gz	OOYWTOUEODASKY-CTNGQTDRSA-N	1	0	370.493	1.903	20	30		FDEDRO
CC(=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1cnnn1C	ZINC000814726838	941709251	/nfs/dbraw/zinc/70/92/51/941709251.db2.gz	DXIOVTRPPZLHDL-UHFFFAOYSA-N	1	0	371.514	1.668	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1	ZINC000747977222	941722262	/nfs/dbraw/zinc/72/22/62/941722262.db2.gz	RIAUCNXVZVGZQE-QGZVFWFLSA-N	1	0	372.469	1.588	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC1	ZINC000747981898	941728550	/nfs/dbraw/zinc/72/85/50/941728550.db2.gz	YLJFUCPJQJRHPW-QGZVFWFLSA-N	1	0	362.518	1.670	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC)CC1	ZINC000747981836	941729097	/nfs/dbraw/zinc/72/90/97/941729097.db2.gz	XIXZYGWRXPKMNO-GOSISDBHSA-N	1	0	364.534	1.914	20	30		FDEDRO
C#CC[N@@H+](C)CCCNc1ccc(S(=O)(=O)NCCC(C)C)cn1	ZINC000814930201	941740417	/nfs/dbraw/zinc/74/04/17/941740417.db2.gz	WSIDUVNPHWHXEC-UHFFFAOYSA-N	1	0	352.504	1.773	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2	ZINC000815082186	941777706	/nfs/dbraw/zinc/77/77/06/941777706.db2.gz	CZWVJTSDGZOFOT-UHFFFAOYSA-N	1	0	369.874	1.458	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2	ZINC000815082144	941777803	/nfs/dbraw/zinc/77/78/03/941777803.db2.gz	BFRNQAVPLLFZEZ-LBPRGKRZSA-N	1	0	356.875	1.897	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC(=O)N2)C1	ZINC001086726806	941779851	/nfs/dbraw/zinc/77/98/51/941779851.db2.gz	ZHLPWZACGIKVCV-YNEHKIRRSA-N	1	0	358.280	1.438	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1	ZINC001135023010	941850826	/nfs/dbraw/zinc/85/08/26/941850826.db2.gz	IQSFAPGFBFMOLE-RBUKOAKNSA-N	1	0	370.497	1.875	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)N1CCCCC1	ZINC001135067747	941883435	/nfs/dbraw/zinc/88/34/35/941883435.db2.gz	KWPFDLXXRBNSMX-ULQDDVLXSA-N	1	0	351.491	1.465	20	30		FDEDRO
C#CCN(C)CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1	ZINC000815652800	941933669	/nfs/dbraw/zinc/93/36/69/941933669.db2.gz	UDEMMJRAWZNPPN-ICSRJNTNSA-N	1	0	373.497	1.957	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1cc(F)ccc1F	ZINC001135147958	941935026	/nfs/dbraw/zinc/93/50/26/941935026.db2.gz	VPFCMRQKHPDUBE-GUYCJALGSA-N	1	0	367.396	1.590	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)Nc1cccc(F)c1	ZINC001135147496	941942286	/nfs/dbraw/zinc/94/22/86/941942286.db2.gz	JOQMMUQPAZPCFK-COXVUDFISA-N	1	0	363.433	1.840	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1	ZINC000815733451	941956479	/nfs/dbraw/zinc/95/64/79/941956479.db2.gz	SZYSNQDRKVKLMD-INIZCTEOSA-N	1	0	369.465	1.970	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)N1C[C@@H]2CCCN2c2ccccc21	ZINC000815861622	941996871	/nfs/dbraw/zinc/99/68/71/941996871.db2.gz	QVQMPLWBRRMKOA-INIZCTEOSA-N	1	0	354.454	1.073	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1	ZINC000815861711	941996956	/nfs/dbraw/zinc/99/69/56/941996956.db2.gz	WDZZWSBIJBZBNL-UHFFFAOYSA-N	1	0	357.454	1.925	20	30		FDEDRO
C#C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)C(C)C	ZINC000816607063	942274103	/nfs/dbraw/zinc/27/41/03/942274103.db2.gz	DNGKJQFXPZBBNI-HOTGVXAUSA-N	1	0	351.491	1.997	20	30		FDEDRO
C[C@H]1CN(C(=O)CCNC(=O)C2N=CC=CC2=O)CC[N@@H+](C2CCC2)C1	ZINC000817021690	942457831	/nfs/dbraw/zinc/45/78/31/942457831.db2.gz	QVXLFQZGHLLWCU-ORIGZDJFSA-N	1	0	360.458	1.236	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=O)NCCC	ZINC001170853863	942522169	/nfs/dbraw/zinc/52/21/69/942522169.db2.gz	VJIOVFXMLAZCAA-ZACQAIPSSA-N	1	0	353.507	1.758	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1	ZINC001086788415	942523780	/nfs/dbraw/zinc/52/37/80/942523780.db2.gz	NESUPAGJKPZOJM-WDEREUQCSA-N	1	0	355.236	1.167	20	30		FDEDRO
Cc1cc(C#N)cc(C(=O)N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)c1	ZINC001195410883	970914109	/nfs/dbraw/zinc/91/41/09/970914109.db2.gz	ANERKHWOZWXNID-UHFFFAOYSA-N	1	0	374.422	1.102	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)c1	ZINC001086804242	942759089	/nfs/dbraw/zinc/75/90/89/942759089.db2.gz	AAYRDOSWEDNJSD-XZDPQHSOSA-N	1	0	358.417	1.193	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cncc(OC)n2)C1	ZINC001086807755	942831194	/nfs/dbraw/zinc/83/11/94/942831194.db2.gz	SCLDBWYFDTYWJG-ABFRBSLYSA-N	1	0	360.458	1.451	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1	ZINC000817808968	942962579	/nfs/dbraw/zinc/96/25/79/942962579.db2.gz	VBKUILZTRJJJPH-BBWFWOEESA-N	1	0	355.482	1.767	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)CCc2ccccc2)C[C@H]1O	ZINC001195467125	970970445	/nfs/dbraw/zinc/97/04/45/970970445.db2.gz	JJTJNKDBZFKCHH-XUVXKRRUSA-N	1	0	358.482	1.335	20	30		FDEDRO
C#CCCCS(=O)(=O)Nc1cc(C(=O)NCC[NH+](C)C)ccc1Cl	ZINC000818280881	943236039	/nfs/dbraw/zinc/23/60/39/943236039.db2.gz	BPTKKOQTFLVGIT-UHFFFAOYSA-N	1	0	371.890	1.787	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@]2(C)CCC[NH2+]2)cc1	ZINC000818490952	943256343	/nfs/dbraw/zinc/25/63/43/943256343.db2.gz	OLKSJKDVPPFCAJ-AWZALFRUSA-N	1	0	364.471	1.580	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]2[NH2+]CC2(C)C)c1	ZINC000818498754	943256709	/nfs/dbraw/zinc/25/67/09/943256709.db2.gz	CRKAWKXERRFLHU-KWPCUBQOSA-N	1	0	364.471	1.436	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1	ZINC000818588975	943297096	/nfs/dbraw/zinc/29/70/96/943297096.db2.gz	LLCXSNOFMCQGDU-QZTJIDSGSA-N	1	0	357.498	1.981	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]Cc1ccccc1S(=O)(=O)N1CCCCC1	ZINC000818945346	943356467	/nfs/dbraw/zinc/35/64/67/943356467.db2.gz	CJQLAITWZZPAPT-UHFFFAOYSA-N	1	0	363.483	1.090	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(C)n(C)n3)C2)nn1	ZINC001086823662	943365776	/nfs/dbraw/zinc/36/57/76/943365776.db2.gz	PSDWBKSCGJNBJJ-LSDHHAIUSA-N	1	0	357.462	1.194	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000818995910	943376446	/nfs/dbraw/zinc/37/64/46/943376446.db2.gz	YQWPOLPGWSAZFE-MRXNPFEDSA-N	1	0	354.495	1.429	20	30		FDEDRO
C[N@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CC[C@@H](C#N)C1	ZINC001195487766	970987460	/nfs/dbraw/zinc/98/74/60/970987460.db2.gz	KUGJVFOFWKMOOC-CHWSQXEVSA-N	1	0	352.416	1.497	20	30		FDEDRO
CC(=O)c1cccc(OC[C@H](O)C[NH2+]CCNc2ncccc2C#N)c1	ZINC000818976172	943390342	/nfs/dbraw/zinc/39/03/42/943390342.db2.gz	WDTYGFBICJXBGA-QGZVFWFLSA-N	1	0	354.410	1.597	20	30		FDEDRO
O=C(NCC[NH2+]C[C@H](O)c1ccccc1C(F)(F)F)C1N=CC=CC1=O	ZINC000819050296	943395663	/nfs/dbraw/zinc/39/56/63/943395663.db2.gz	REMVZTPTXJPMKQ-BSZDNMLHSA-N	1	0	369.343	1.855	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnn(C)c3)C2)nn1	ZINC001086824695	943414120	/nfs/dbraw/zinc/41/41/20/943414120.db2.gz	UVDFDPFHKMBGDW-GOEBONIOSA-N	1	0	357.462	1.276	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnoc3C)C2)nn1	ZINC001086825231	943444426	/nfs/dbraw/zinc/44/44/26/943444426.db2.gz	YSCKHINJCCINGG-GOEBONIOSA-N	1	0	358.446	1.839	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)cc1C#N	ZINC000819182743	943465918	/nfs/dbraw/zinc/46/59/18/943465918.db2.gz	QBNOWTGQWAUSHJ-QGZVFWFLSA-N	1	0	360.435	1.794	20	30		FDEDRO
COc1ccc(N2CCN(C[C@H](O)C[NH2+]CC3(CC#N)CC3)CC2)cc1	ZINC000819280484	943525200	/nfs/dbraw/zinc/52/52/00/943525200.db2.gz	HAASSSYSYAFHKZ-GOSISDBHSA-N	1	0	358.486	1.462	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2	ZINC000819327052	943527877	/nfs/dbraw/zinc/52/78/77/943527877.db2.gz	ZLPSDUBJZYLWPI-CVEARBPZSA-N	1	0	366.506	1.572	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C)nc(C)n3)C2)C1=O	ZINC001086828760	943624756	/nfs/dbraw/zinc/62/47/56/943624756.db2.gz	OTGQSJHCKCBQIY-BBWFWOEESA-N	1	0	371.485	1.368	20	30		FDEDRO
CC(C)(C)NS(=O)(=O)c1ccc(N=NC2CC[NH+](CCO)CC2)nc1	ZINC000819806281	943748043	/nfs/dbraw/zinc/74/80/43/943748043.db2.gz	OITUMZSXCPBGHB-UHFFFAOYSA-N	1	0	369.491	1.014	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CCSc2ncnc3[nH]cnc32)CC1	ZINC000820198388	943946248	/nfs/dbraw/zinc/94/62/48/943946248.db2.gz	ZKWRPDFGBZRGHD-UHFFFAOYSA-N	1	0	358.471	1.439	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccc(F)cc1	ZINC000820495086	944072044	/nfs/dbraw/zinc/07/20/44/944072044.db2.gz	MSYIBFSQFXESRV-RBUKOAKNSA-N	1	0	358.461	1.921	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)C1	ZINC001195594488	971064950	/nfs/dbraw/zinc/06/49/50/971064950.db2.gz	PDUAQKKTVABXQP-KURKYZTESA-N	1	0	353.507	1.003	20	30		FDEDRO
COC(=O)c1ccc(C(=N)Nc2ccc(N3CC[NH2+][C@H](C)C3)nn2)cc1	ZINC001170980776	944896248	/nfs/dbraw/zinc/89/62/48/944896248.db2.gz	AIOVRIVYPYWIJG-GFCCVEGCSA-N	1	0	354.414	1.098	20	30		FDEDRO
COC(=O)c1ccc(C(=N)Nc2ccnc(N3CCC([NH3+])CC3)n2)cc1	ZINC001170981510	944904776	/nfs/dbraw/zinc/90/47/76/944904776.db2.gz	RRFAPSRAOJKWIH-UHFFFAOYSA-N	1	0	354.414	1.228	20	30		FDEDRO
COC(=O)c1ccc(C(=N)Nc2ccc(N3CC[NH+](C)CC3)cn2)cc1	ZINC001170989397	945039900	/nfs/dbraw/zinc/03/99/00/945039900.db2.gz	SQOFPUKEYBMTBK-UHFFFAOYSA-N	1	0	353.426	1.657	20	30		FDEDRO
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000823131638	945512721	/nfs/dbraw/zinc/51/27/21/945512721.db2.gz	TZNPOVMIAXDVPA-MOPGFXCFSA-N	1	0	372.469	1.486	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CCC(OCCC[NH+](C)C)CC1)C1CCOCC1	ZINC000823177866	945521089	/nfs/dbraw/zinc/52/10/89/945521089.db2.gz	JWSLUUHSVUFCRG-GOSISDBHSA-N	1	0	351.491	1.557	20	30		FDEDRO
CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N	ZINC001195763454	971195267	/nfs/dbraw/zinc/19/52/67/971195267.db2.gz	MHJMYSBVWGADEL-ZDUSSCGKSA-N	1	0	354.432	1.721	20	30		FDEDRO
C=CC[C@H](CO)C[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000823888511	946500442	/nfs/dbraw/zinc/50/04/42/946500442.db2.gz	PDTIBUJJNZQGBO-INIZCTEOSA-N	1	0	356.474	1.605	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1	ZINC000856597176	971245813	/nfs/dbraw/zinc/24/58/13/971245813.db2.gz	FMSFUJRYGVMOPE-VQIMIIECSA-N	1	0	358.486	1.513	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NCC[NH+]1CC=CC1	ZINC001136909382	946636541	/nfs/dbraw/zinc/63/65/41/946636541.db2.gz	QFPAYPBKQSAUPL-HNNXBMFYSA-N	1	0	350.463	1.952	20	30		FDEDRO
C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1	ZINC001573282774	946698301	/nfs/dbraw/zinc/69/83/01/946698301.db2.gz	OAACBFARVJSEIS-SFHVURJKSA-N	1	0	353.430	1.146	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573283232	946710159	/nfs/dbraw/zinc/71/01/59/946710159.db2.gz	GGWGEVKDORKTIB-QAPCUYQASA-N	1	0	366.469	1.997	20	30		FDEDRO
C#CCCCC(=O)NC[C@@H](CC)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F	ZINC001573284078	946735874	/nfs/dbraw/zinc/73/58/74/946735874.db2.gz	QYNHWGBNDIUULN-OAHLLOKOSA-N	1	0	358.421	1.794	20	30		FDEDRO
C#CCCCC(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573284563	946749524	/nfs/dbraw/zinc/74/95/24/946749524.db2.gz	GIUZEHUDVUZYCI-MRXNPFEDSA-N	1	0	366.469	1.998	20	30		FDEDRO
C#CCCCC(=O)NC1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1	ZINC001573284734	946754619	/nfs/dbraw/zinc/75/46/19/946754619.db2.gz	KAPDKSRCKWECHC-UHFFFAOYSA-N	1	0	370.432	1.890	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573285395	946778043	/nfs/dbraw/zinc/77/80/43/946778043.db2.gz	XANAODWPHGOCKW-NVXWUHKLSA-N	1	0	366.469	1.997	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C	ZINC001573285579	946783503	/nfs/dbraw/zinc/78/35/03/946783503.db2.gz	ZQNAJTNGXLOKTH-PBHICJAKSA-N	1	0	352.442	1.749	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CCCCNc1ccc2c([C@H]3CCC[NH2+]3)nnn2c1	ZINC001171071102	946865655	/nfs/dbraw/zinc/86/56/55/946865655.db2.gz	PPUYPSKVVRYDFJ-JKSUJKDBSA-N	1	0	372.473	1.793	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000824935287	946884849	/nfs/dbraw/zinc/88/48/49/946884849.db2.gz	QTWJEQUJNIPSED-ZTFGCOKTSA-N	1	0	370.453	1.057	20	30		FDEDRO
C=C(Br)C[NH2+][C@H](C)CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573291456	946920217	/nfs/dbraw/zinc/92/02/17/946920217.db2.gz	DKWBMUIHPAFGIB-SECBINFHSA-N	1	0	368.239	1.201	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)CC(C)(C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1	ZINC001573560827	946957308	/nfs/dbraw/zinc/95/73/08/946957308.db2.gz	GVGDQTJIKZEFGX-NSHDSACASA-N	1	0	361.475	1.662	20	30		FDEDRO
CC(C)N(CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1)C(=O)[C@H](C)C#N	ZINC001573561375	946962302	/nfs/dbraw/zinc/96/23/02/946962302.db2.gz	JVSMZKZKNKPMSL-GFCCVEGCSA-N	1	0	361.475	1.757	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H](C[N@H+](C)Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573564074	946987224	/nfs/dbraw/zinc/98/72/24/946987224.db2.gz	FKXUKPCRDCPBQS-STQMWFEESA-N	1	0	371.420	1.446	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H](C[N@H+](C)Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573564073	946987663	/nfs/dbraw/zinc/98/76/63/946987663.db2.gz	FKXUKPCRDCPBQS-QWHCGFSZSA-N	1	0	371.420	1.446	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC(C)([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC001573564778	946997906	/nfs/dbraw/zinc/99/79/06/946997906.db2.gz	KNDMMNDUBVDMAG-ZDUSSCGKSA-N	1	0	353.430	1.497	20	30		FDEDRO
C=C(Cl)C[NH+]1CCC(C)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1	ZINC001573294966	947005772	/nfs/dbraw/zinc/00/57/72/947005772.db2.gz	KEVQELAMOGGSAC-UHFFFAOYSA-N	1	0	363.853	1.779	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1	ZINC001573566005	947019964	/nfs/dbraw/zinc/01/99/64/947019964.db2.gz	YUAABIIJXCEAMW-ZDUSSCGKSA-N	1	0	353.430	1.355	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1	ZINC001573566900	947032703	/nfs/dbraw/zinc/03/27/03/947032703.db2.gz	HHNUXXKMZSRRID-OCCSQVGLSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1	ZINC001573567614	947048413	/nfs/dbraw/zinc/04/84/13/947048413.db2.gz	PNHKGKXIOLVYGZ-GXTWGEPZSA-N	1	0	371.420	1.588	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1	ZINC001573568179	947067870	/nfs/dbraw/zinc/06/78/70/947067870.db2.gz	YXTHDEKCYPOHSR-YPMHNXCESA-N	1	0	357.393	1.246	20	30		FDEDRO
COCCOCC[N@H+](C)CCC(=O)N1CCN(c2ccc(C#N)cc2)CC1	ZINC000825198719	947075693	/nfs/dbraw/zinc/07/56/93/947075693.db2.gz	JLPWSHPRCCFSNY-UHFFFAOYSA-N	1	0	374.485	1.192	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1	ZINC001573572489	947115995	/nfs/dbraw/zinc/11/59/95/947115995.db2.gz	IULYBXVIDFARAA-TZMCWYRMSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@H](C#N)C(=O)NC1CC2(C1)CC([NH2+]Cc1ccc(-c3nn[nH]n3)cc1)C2	ZINC001573575407	947138758	/nfs/dbraw/zinc/13/87/58/947138758.db2.gz	YSSRCOVZLIKLKI-ISDFNIFZSA-N	1	0	365.441	1.543	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CCCCC1	ZINC001573575693	947140402	/nfs/dbraw/zinc/14/04/02/947140402.db2.gz	ZIDFDXBMGSLZLX-WBMJQRKESA-N	1	0	368.445	1.320	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1	ZINC001573575656	947141116	/nfs/dbraw/zinc/14/11/16/947141116.db2.gz	AHZNVUVOCQYARO-OLZOCXBDSA-N	1	0	373.486	1.949	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@@H]1CCCCN1Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573577043	947159997	/nfs/dbraw/zinc/15/99/97/947159997.db2.gz	LLGKRWIPXNMPME-WFASDCNBSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1(C)C	ZINC001573577967	947178059	/nfs/dbraw/zinc/17/80/59/947178059.db2.gz	WKQKQGLKQBYAKI-WFASDCNBSA-N	1	0	353.430	1.353	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573582703	947194414	/nfs/dbraw/zinc/19/44/14/947194414.db2.gz	GHSCXTSVCGHAAF-QWHCGFSZSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@H](C#N)C(=O)NCCC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1	ZINC001573583122	947201139	/nfs/dbraw/zinc/20/11/39/947201139.db2.gz	JVTXAKOCWGFDJN-CQSZACIVSA-N	1	0	367.457	1.745	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573309725	947208710	/nfs/dbraw/zinc/20/87/10/947208710.db2.gz	NMYBLAJPPBVXRG-QFBILLFUSA-N	1	0	370.457	1.227	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)NCC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)C1CC1	ZINC001573310233	947219353	/nfs/dbraw/zinc/21/93/53/947219353.db2.gz	VKIIXCJYZHYOKT-IBGZPJMESA-N	1	0	370.457	1.274	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1	ZINC001573584618	947229010	/nfs/dbraw/zinc/22/90/10/947229010.db2.gz	ZMYILQJNTRGJEK-CJNGLKHVSA-N	1	0	353.430	1.497	20	30		FDEDRO
C[C@@H](NC(=O)[C@@H](C)C#N)C1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1	ZINC001573585071	947243702	/nfs/dbraw/zinc/24/37/02/947243702.db2.gz	KCLIXEYVLXTWRS-UONOGXRCSA-N	1	0	367.457	1.743	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573585158	947245684	/nfs/dbraw/zinc/24/56/84/947245684.db2.gz	LKDVEOXGXQZGQM-MPESAESLSA-N	1	0	351.414	1.248	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cccc(-c3nn[nH]n3)c1)C2	ZINC001573586331	947285856	/nfs/dbraw/zinc/28/58/56/947285856.db2.gz	OGYBZIBZHRDNSZ-AZOIQLNYSA-N	1	0	365.441	1.497	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC1	ZINC001573587376	947307657	/nfs/dbraw/zinc/30/76/57/947307657.db2.gz	ZTWDCZBMJRBIRB-CQDKDKBSSA-N	1	0	371.420	1.682	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)nn2C)C[C@H]1c1ccc(OC)cc1	ZINC001090865016	947342690	/nfs/dbraw/zinc/34/26/90/947342690.db2.gz	NTFGUFSQWHLNCF-ZWKOTPCHSA-N	1	0	352.438	1.568	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2[NH2+]C[C@@H](C)O)cc1	ZINC001090867175	947368830	/nfs/dbraw/zinc/36/88/30/947368830.db2.gz	CTJUMRGLVNIONR-XVGQJIODSA-N	1	0	368.437	1.474	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc[nH]c(=O)c2)C[C@H]1c1ccc(OC)cc1	ZINC001090867297	947370024	/nfs/dbraw/zinc/37/00/24/947370024.db2.gz	HWKKXMQEEGMVCI-ZWKOTPCHSA-N	1	0	351.406	1.627	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2[NH2+]CCO)cc1	ZINC001090869118	947383811	/nfs/dbraw/zinc/38/38/11/947383811.db2.gz	REDBTSDWMDYTNL-FUHWJXTLSA-N	1	0	354.410	1.085	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1CCC[C@@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1	ZINC001573327410	947387475	/nfs/dbraw/zinc/38/74/75/947387475.db2.gz	DIXGOROYUADBEF-FZKQIMNGSA-N	1	0	373.461	1.106	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C1	ZINC001573327596	947394148	/nfs/dbraw/zinc/39/41/48/947394148.db2.gz	HPCIQHICWBDTBM-XJKCOSOUSA-N	1	0	355.446	1.696	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COc2cc(C)on2)C[C@H]1c1ccc(OC)cc1	ZINC001090874794	947484264	/nfs/dbraw/zinc/48/42/64/947484264.db2.gz	RJXIRSVOLXXHSE-ZWKOTPCHSA-N	1	0	369.421	1.588	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573336574	947508413	/nfs/dbraw/zinc/50/84/13/947508413.db2.gz	PCTCNQWNQTXUBV-RRQGHBQHSA-N	1	0	370.457	1.585	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1c1ccc(OC)cc1	ZINC001090878254	947548309	/nfs/dbraw/zinc/54/83/09/947548309.db2.gz	NGMTYPRMGVBPJO-DLBZAZTESA-N	1	0	357.454	1.421	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1c1ccc(OC)cc1	ZINC001090876010	947552073	/nfs/dbraw/zinc/55/20/73/947552073.db2.gz	MRRCSNIYOUDAAU-DLBZAZTESA-N	1	0	369.421	1.771	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090876033	947552146	/nfs/dbraw/zinc/55/21/46/947552146.db2.gz	NXLKPRWPROQPTC-QKLQHJQFSA-N	1	0	357.454	1.291	20	30		FDEDRO
C=CCOCC(=O)NC1(C[NH2+]Cc2ccccc2-c2nn[nH]n2)CCCC1	ZINC001573343129	947553143	/nfs/dbraw/zinc/55/31/43/947553143.db2.gz	JTVKIWDWWRUOJE-UHFFFAOYSA-N	1	0	370.457	1.588	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1c1ccc(OC)cc1	ZINC001090881260	947600166	/nfs/dbraw/zinc/60/01/66/947600166.db2.gz	CPEFKGQWUQYNQL-RBUKOAKNSA-N	1	0	369.469	1.906	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2coc(COC)n2)C[C@H]1c1ccc(OC)cc1	ZINC001090882645	947620589	/nfs/dbraw/zinc/62/05/89/947620589.db2.gz	MRNWFCQHXOEOKS-DLBZAZTESA-N	1	0	369.421	1.661	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F	ZINC001573351873	947622188	/nfs/dbraw/zinc/62/21/88/947622188.db2.gz	WUAZALMDVGUYEZ-ZBFHGGJFSA-N	1	0	374.420	1.145	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CC/C=C/c3ccccc3)C[C@H]2O)c1	ZINC001196045775	971426467	/nfs/dbraw/zinc/42/64/67/971426467.db2.gz	MXZUJWQFNQGYLV-KGHJMRRFSA-N	1	0	361.445	1.941	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)Nc1ccccc1C(=O)NCc1cccnc1	ZINC000844179162	947821486	/nfs/dbraw/zinc/82/14/86/947821486.db2.gz	REDODCXLKMFYAN-INIZCTEOSA-N	1	0	351.410	1.971	20	30		FDEDRO
CO[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C	ZINC001090904168	947879779	/nfs/dbraw/zinc/87/97/79/947879779.db2.gz	AERTZMYGEYSVIX-RBSFLKMASA-N	1	0	365.503	1.229	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N[C@@H]1CN(c2nc(C)ccc2C#N)C[C@H]1OC	ZINC001090905298	947908332	/nfs/dbraw/zinc/90/83/32/947908332.db2.gz	RBKPGFYMKUQCOA-IAGOWNOFSA-N	1	0	359.474	1.313	20	30		FDEDRO
CO[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C	ZINC001090949387	948086075	/nfs/dbraw/zinc/08/60/75/948086075.db2.gz	MJYNKSANQQDRIN-LZLYRXPVSA-N	1	0	357.458	1.147	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@H]2c3c[nH]nc3CN2C(=O)OC(C)(C)C)CC1	ZINC001144002705	948094250	/nfs/dbraw/zinc/09/42/50/948094250.db2.gz	CROTVXGKGXCDMX-CQSZACIVSA-N	1	0	374.445	1.306	20	30		FDEDRO
CS(=O)(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C#N)cn3)C[C@H]2c2ccccc21	ZINC001144160884	948306036	/nfs/dbraw/zinc/30/60/36/948306036.db2.gz	XCRJYWIYEGYVMS-MAUKXSAKSA-N	1	0	368.462	1.948	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)Nc1ccc(OCCCN2CC[NH+](C)CC2)cc1	ZINC000844844450	948458671	/nfs/dbraw/zinc/45/86/71/948458671.db2.gz	ILKHIVQSQKJAIW-KRWDZBQOSA-N	1	0	359.470	1.680	20	30		FDEDRO
C[C@H](Cc1cccc(C#N)c1)[NH2+]C1CCN(C(=O)N2CCOCC2)CC1	ZINC001171181022	949235858	/nfs/dbraw/zinc/23/58/58/949235858.db2.gz	GKGHYGSKIRSUEW-MRXNPFEDSA-N	1	0	356.470	1.995	20	30		FDEDRO
CC(=O)N[C@@H](CS)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC001144426796	949239201	/nfs/dbraw/zinc/23/92/01/949239201.db2.gz	HWNDVPNMFIFUPW-INIZCTEOSA-N	1	0	360.483	1.095	20	30		FDEDRO
CC(C)(C)C#CC(=O)NC/C=C/C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573793374	949298409	/nfs/dbraw/zinc/29/84/09/949298409.db2.gz	QQRAQBXIKFIHMO-SNAWJCMRSA-N	1	0	370.432	1.817	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O)[NH+]1CCCCC1	ZINC001091117181	949350888	/nfs/dbraw/zinc/35/08/88/949350888.db2.gz	GZQIZZBNSHKUND-FGTMMUONSA-N	1	0	371.485	1.129	20	30		FDEDRO
C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1cccnc1C#N	ZINC000845574360	949541888	/nfs/dbraw/zinc/54/18/88/949541888.db2.gz	AVYXFTIOAKXMOL-AWEZNQCLSA-N	1	0	362.430	1.841	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1	ZINC001576168423	949637135	/nfs/dbraw/zinc/63/71/35/949637135.db2.gz	UGMAOOSOHQVCPX-KGLIPLIRSA-N	1	0	367.461	1.619	20	30		FDEDRO
C=CCOCC[N@H+]1CCCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1	ZINC001196282253	971605117	/nfs/dbraw/zinc/60/51/17/971605117.db2.gz	PBOMBQILWRTOKH-KGLIPLIRSA-N	1	0	366.380	1.070	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C[NH+]2CCCC2)c1	ZINC000845671233	949810208	/nfs/dbraw/zinc/81/02/08/949810208.db2.gz	GMVOXBZODMEMMC-AWEZNQCLSA-N	1	0	352.456	1.792	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@@H](CCO)C3CC3)CC2)c1	ZINC000845738712	949819706	/nfs/dbraw/zinc/81/97/06/949819706.db2.gz	BNLHYKGRFJVBDK-IBGZPJMESA-N	1	0	356.470	1.983	20	30		FDEDRO
C[N@H+](CCC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O)C1CCCCC1	ZINC001091163918	949937351	/nfs/dbraw/zinc/93/73/51/949937351.db2.gz	JGVQEFSURVHSMQ-MJGOQNOKSA-N	1	0	371.485	1.274	20	30		FDEDRO
C#Cc1ccc(C[NH+]2CCC3(C[C@H](C(=O)N4CCOCC4)CO3)CC2)cc1	ZINC001144572325	949954149	/nfs/dbraw/zinc/95/41/49/949954149.db2.gz	WWJJSXOSZGJDRZ-FQEVSTJZSA-N	1	0	368.477	1.898	20	30		FDEDRO
C#Cc1ccc(C[N@H+]2CCC[C@]3(CO[C@@H](C(=O)N4CCOCC4)C3)C2)cc1	ZINC001144573934	949957254	/nfs/dbraw/zinc/95/72/54/949957254.db2.gz	UPWIJOMKQNRRGA-IFMALSPDSA-N	1	0	368.477	1.898	20	30		FDEDRO
CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C#CC1CC1	ZINC001574151018	950051849	/nfs/dbraw/zinc/05/18/49/950051849.db2.gz	JMKCKKNMDVTOEW-AWEZNQCLSA-N	1	0	372.498	1.962	20	30		FDEDRO
CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H](C)C#N	ZINC001574153965	950155726	/nfs/dbraw/zinc/15/57/26/950155726.db2.gz	YOYMMJNOBGXFHK-HIFRSBDPSA-N	1	0	355.446	1.647	20	30		FDEDRO
C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001574983248	950209876	/nfs/dbraw/zinc/20/98/76/950209876.db2.gz	LCGPQEDQFDNZIK-SNVBAGLBSA-N	1	0	368.376	1.114	20	30		FDEDRO
CN1CCN(c2ncc(C[N@H+](C)C[C@@H](O)c3cccc(C#N)c3)cn2)CC1	ZINC000846007442	950326129	/nfs/dbraw/zinc/32/61/29/950326129.db2.gz	NIMAZCKCNQYMRO-LJQANCHMSA-N	1	0	366.469	1.265	20	30		FDEDRO
C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1ccc(C#N)s1	ZINC001574745156	950371064	/nfs/dbraw/zinc/37/10/64/950371064.db2.gz	FYXDBHDFOYVUNI-SNVBAGLBSA-N	1	0	370.442	1.378	20	30		FDEDRO
C=CC[C@H]1CC[C@@H]([NH2+]CC(=O)Nc2cccc(S(=O)(=O)NC)c2)C1	ZINC000846053933	950417907	/nfs/dbraw/zinc/41/79/07/950417907.db2.gz	YPFNDIWQYAEASX-UONOGXRCSA-N	1	0	351.472	1.868	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCCO[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1	ZINC000857235874	971664707	/nfs/dbraw/zinc/66/47/07/971664707.db2.gz	BLRRKOREVVRFLD-HUUCEWRRSA-N	1	0	355.479	1.903	20	30		FDEDRO
COc1ccc(CNC(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1C#N	ZINC000846158251	950577746	/nfs/dbraw/zinc/57/77/46/950577746.db2.gz	VUPODORGHGHEGV-IEZWGBDMSA-N	1	0	372.469	1.995	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CC[C@H]2CCN(c3ncc(C#N)cc3F)[C@H]2C1	ZINC001091215141	950974399	/nfs/dbraw/zinc/97/43/99/950974399.db2.gz	WVTRJWUFGCCXHL-RDJZCZTQSA-N	1	0	359.449	1.861	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)C1CCCC1	ZINC000846352408	950985259	/nfs/dbraw/zinc/98/52/59/950985259.db2.gz	AFZVSFXOMBDLQY-LZLYRXPVSA-N	1	0	361.486	1.136	20	30		FDEDRO
C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F	ZINC001575017339	950989797	/nfs/dbraw/zinc/98/97/97/950989797.db2.gz	DLMYLHCIEMBZMK-JTQLQIEISA-N	1	0	368.376	1.114	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@@H]3CCN(C(=O)CC[NH+](C)C)C[C@@H]32)n1	ZINC001091228235	951111597	/nfs/dbraw/zinc/11/15/97/951111597.db2.gz	UIEPRJFNJHQKAE-HOCLYGCPSA-N	1	0	356.474	1.290	20	30		FDEDRO
CC[C@H](C(=O)N1CC[C@H]2CCN(c3cncc(C#N)n3)[C@H]2C1)[NH+](CC)CC	ZINC001091230341	951121375	/nfs/dbraw/zinc/12/13/75/951121375.db2.gz	MKDVLOPEQZGNEH-JQHSSLGASA-N	1	0	370.501	1.896	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H](O)c3cccnc3)CC2)c1	ZINC000846611868	951376033	/nfs/dbraw/zinc/37/60/33/951376033.db2.gz	IQNOUVSGOQHADJ-IBGZPJMESA-N	1	0	350.422	1.767	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)C1CCCC1	ZINC000806042329	951394449	/nfs/dbraw/zinc/39/44/49/951394449.db2.gz	SPTSRVNVZPZSJL-UHFFFAOYSA-N	1	0	359.445	1.908	20	30		FDEDRO
Cc1c(Br)c2ccccc2n1CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N	ZINC000846676003	951440054	/nfs/dbraw/zinc/44/00/54/951440054.db2.gz	AQAUUWHWIKRXIL-WCQYABFASA-N	1	0	361.243	1.940	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)CC1	ZINC000846724975	951491916	/nfs/dbraw/zinc/49/19/16/951491916.db2.gz	WFHJKKWEAOHSQP-GOSISDBHSA-N	1	0	372.469	1.039	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)[NH+]1CCCCC1	ZINC000846725723	951495505	/nfs/dbraw/zinc/49/55/05/951495505.db2.gz	OGYSIEGAGYZBDH-CRAIPNDOSA-N	1	0	372.469	1.041	20	30		FDEDRO
C=C(C)CNC(=S)C(C(=O)c1ccnn1C)[n+]1ccc(N(C)C)cc1	ZINC000846757945	951531051	/nfs/dbraw/zinc/53/10/51/951531051.db2.gz	JJVNZTAJHWJBFA-UHFFFAOYSA-O	1	0	358.491	1.630	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@@H]3CCO[C@H]3C3CC3)c2)C1	ZINC001091404490	951598564	/nfs/dbraw/zinc/59/85/64/951598564.db2.gz	KGJXZMMQOZQBLS-ZCNNSNEGSA-N	1	0	369.465	1.599	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@H]3CCO[C@H]3C(=C)C)c2)C1	ZINC001091405790	951603110	/nfs/dbraw/zinc/60/31/10/951603110.db2.gz	JZLZFQHZNBKYNZ-AABGKKOBSA-N	1	0	369.465	1.765	20	30		FDEDRO
COc1ccc(-n2ccc(NC(=[NH2+])c3ccc(C(N)=O)cc3)cc2=O)cc1	ZINC001171258535	951725286	/nfs/dbraw/zinc/72/52/86/951725286.db2.gz	CLWHMIVYFSVKBU-UHFFFAOYSA-N	1	0	362.389	1.982	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ccsc4)C[C@]3(C)C2)C1=O	ZINC001091465539	951844406	/nfs/dbraw/zinc/84/44/06/951844406.db2.gz	HNPNTAHMXJYXAP-GJYPPUQNSA-N	1	0	359.495	1.929	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@H]3CCNC(=O)C3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001091590454	952171890	/nfs/dbraw/zinc/17/18/90/952171890.db2.gz	RQSUCUIVSPAMQR-OPYAIIAOSA-N	1	0	366.465	1.365	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@]2(C)C1)n1cncn1	ZINC001091610369	952280249	/nfs/dbraw/zinc/28/02/49/952280249.db2.gz	ZTPWMXHBCISUAS-CVAIRZPRSA-N	1	0	364.453	1.691	20	30		FDEDRO
C[C@H](C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@]2(C)C1)n1cncn1	ZINC001091610370	952280301	/nfs/dbraw/zinc/28/03/01/952280301.db2.gz	ZTPWMXHBCISUAS-ZTNFWEORSA-N	1	0	364.453	1.691	20	30		FDEDRO
Cc1nccnc1C[N@@H+]1C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@]2(C)C1	ZINC001091613373	952307240	/nfs/dbraw/zinc/30/72/40/952307240.db2.gz	VRTYQPKPDAHXQK-BEFAXECRSA-N	1	0	350.426	1.579	20	30		FDEDRO
C=CCOCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCO[C@H]3c3ccncc3)C2)C1	ZINC001147572593	952439689	/nfs/dbraw/zinc/43/96/89/952439689.db2.gz	HVIXFVHTTMOGSN-MOPGFXCFSA-N	1	0	371.481	1.896	20	30		FDEDRO
Cn1cc(C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@@]3(C)C2)nn1	ZINC001091645809	952476886	/nfs/dbraw/zinc/47/68/86/952476886.db2.gz	XNRAFCSXMUCZFC-PXAZEXFGSA-N	1	0	356.455	1.342	20	30		FDEDRO
COc1cccc([C@H](O)C[N@@H+]2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]3(C)C2)c1	ZINC001091655770	952517540	/nfs/dbraw/zinc/51/75/40/952517540.db2.gz	OYZZCXFJMRCRJU-UZKOGDIHSA-N	1	0	368.477	1.922	20	30		FDEDRO
Cn1nnc2cc(C[N@@H+]3C[C@@H]4CN(C(=O)C#CC5CC5)C[C@]4(C)C3)ccc21	ZINC001091659290	952520012	/nfs/dbraw/zinc/52/00/12/952520012.db2.gz	IXZMMLABZAYSEK-UTKZUKDTSA-N	1	0	363.465	1.662	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1CNc1ccc(C#N)cn1	ZINC001091668556	952558435	/nfs/dbraw/zinc/55/84/35/952558435.db2.gz	QRHOTRGWYOMYIG-IAGOWNOFSA-N	1	0	359.474	1.570	20	30		FDEDRO
C=C(CCC(=O)OC)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1	ZINC001147998813	952587907	/nfs/dbraw/zinc/58/79/07/952587907.db2.gz	OISODGNUIQTDLN-UHFFFAOYSA-N	1	0	360.454	1.769	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)Cc3ccc4c(c3)NC(=O)C4)C[C@]2(C)C1	ZINC001091747131	952783611	/nfs/dbraw/zinc/78/36/11/952783611.db2.gz	BKKVAAHEVPSOPA-UTKZUKDTSA-N	1	0	351.450	1.527	20	30		FDEDRO
CC[NH+](CC)CCCNC(=S)N=C(NO)c1ccc(C(=O)OC)cc1	ZINC001196701870	971868856	/nfs/dbraw/zinc/86/88/56/971868856.db2.gz	FHJBHGGNIQLRLU-UHFFFAOYSA-N	1	0	366.487	1.805	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCn3nc(C)nc3C)C2)cn1	ZINC001086857807	952877387	/nfs/dbraw/zinc/87/73/87/952877387.db2.gz	XNOVIOMPPFPXHJ-QFBILLFUSA-N	1	0	366.469	1.460	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C[C@@H]1C)CC[NH+](CC(=O)NC)CC2	ZINC001086923429	952944118	/nfs/dbraw/zinc/94/41/18/952944118.db2.gz	RISVEKYNLFCVOP-BBWFWOEESA-N	1	0	363.502	1.417	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccc(F)cc2)C1	ZINC001086970924	952972906	/nfs/dbraw/zinc/97/29/06/952972906.db2.gz	NUGUYYKSAMNWOF-JEBQAFNWSA-N	1	0	355.417	1.803	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccc(C#N)s2)C1	ZINC001086970967	952973009	/nfs/dbraw/zinc/97/30/09/952973009.db2.gz	PYKGXVPMBRACCO-AFAVFJNCSA-N	1	0	368.466	1.597	20	30		FDEDRO
CCOC1CC(C[NH2+][C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2c2cnn(C)c2)C1	ZINC001086978103	952989403	/nfs/dbraw/zinc/98/94/03/952989403.db2.gz	DLDLQEKAHYPNHP-DXBWTPJFSA-N	1	0	370.497	1.533	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2ccccc2F)C[C@H]1c1cnn(C)c1	ZINC001086979419	952993050	/nfs/dbraw/zinc/99/30/50/952993050.db2.gz	ZEJVACMGJYLSII-QILLFSRXSA-N	1	0	370.428	1.544	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(C)(C)C)cn2)C[C@H]1c1cnn(C)c1	ZINC001086979744	952993481	/nfs/dbraw/zinc/99/34/81/952993481.db2.gz	PKOSVKCPLWHMRD-PKOBYXMFSA-N	1	0	365.481	1.944	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C(F)(F)F)no2)C[C@H]1c1cnn(C)c1	ZINC001086983515	952997230	/nfs/dbraw/zinc/99/72/30/952997230.db2.gz	UMLPVVWTCOXIHD-NWDGAFQWSA-N	1	0	369.347	1.811	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C2([C@H]3CCCCO3)CCC2)C[C@H]1c1cnn(C)c1	ZINC001086987260	953009097	/nfs/dbraw/zinc/00/90/97/953009097.db2.gz	JACWWXYTTNROCC-IPMKNSEASA-N	1	0	370.497	1.677	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nc3c(s2)CCC3)C[C@H]1c1cnn(C)c1	ZINC001086987997	953011578	/nfs/dbraw/zinc/01/15/78/953011578.db2.gz	YPVHFUFBVMTCRJ-DZGCQCFKSA-N	1	0	355.467	1.196	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cnnn2C)C1	ZINC001086990678	953018536	/nfs/dbraw/zinc/01/85/36/953018536.db2.gz	OWCNKTAWUNTOCD-DLBZAZTESA-N	1	0	371.489	1.235	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2ncccc2F)C[C@H]1c1cnn(C)c1	ZINC001086993496	953027108	/nfs/dbraw/zinc/02/71/08/953027108.db2.gz	CKTPJKDPHAARHP-MAUKXSAKSA-N	1	0	357.433	1.657	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccn(C(C)(C)C)n2)C[C@H]1c1cnn(C)c1	ZINC001086981126	953031966	/nfs/dbraw/zinc/03/19/66/953031966.db2.gz	QDAPBIHXNSWWTI-DOTOQJQBSA-N	1	0	354.458	1.203	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCc2cc(OC)no2)C[C@H]1c1cnn(C)c1	ZINC001086981329	953032330	/nfs/dbraw/zinc/03/23/30/953032330.db2.gz	CZKQFRXIAAWHQM-JKSUJKDBSA-N	1	0	359.430	1.120	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)COC2CCOCC2)C[C@H]1c1cnn(C)c1	ZINC001087000251	953049432	/nfs/dbraw/zinc/04/94/32/953049432.db2.gz	NKKBGUHXILPDCE-ZWKOTPCHSA-N	1	0	362.474	1.076	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C)C[C@H]1O	ZINC001196692006	971892165	/nfs/dbraw/zinc/89/21/65/971892165.db2.gz	QIFXCSAZWIWRFS-GUDVDZBRSA-N	1	0	359.470	1.127	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)cc3cn[nH]c32)C[C@H]1c1cnn(C)c1	ZINC001087001990	953056587	/nfs/dbraw/zinc/05/65/87/953056587.db2.gz	ZYTCJOPTPQCSMX-ZWKOTPCHSA-N	1	0	362.437	1.436	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)C[C@@H](C)O3)C[C@H]1c1cnn(C)c1	ZINC001087002060	953056796	/nfs/dbraw/zinc/05/67/96/953056796.db2.gz	DWHOWSLUMNNXPH-MDASCCDHSA-N	1	0	364.449	1.575	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(CNC(C)=O)o2)C[C@H]1c1cnn(C)c1	ZINC001087002399	953058108	/nfs/dbraw/zinc/05/81/08/953058108.db2.gz	XQWKHHQVGGETMO-DLBZAZTESA-N	1	0	371.441	1.033	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2noc3c2C[C@@H](C)CC3)C[C@H]1c1cnn(C)c1	ZINC001087004003	953060796	/nfs/dbraw/zinc/06/07/96/953060796.db2.gz	AGJUNKCZAOSJEA-RRQGHBQHSA-N	1	0	369.469	1.917	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)nn2C)C[C@H]1c1cnn(C)c1	ZINC001087004092	953061297	/nfs/dbraw/zinc/06/12/97/953061297.db2.gz	FFKLBFRQFDQZCK-DOTOQJQBSA-N	1	0	354.458	1.108	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c(C)[nH]nc2C(C)C)C[C@H]1c1cnn(C)c1	ZINC001087005112	953063841	/nfs/dbraw/zinc/06/38/41/953063841.db2.gz	MEJQTEOZEAMQDB-JKSUJKDBSA-N	1	0	356.474	1.959	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cnn3cc[nH]c23)C[C@H]1c1cnn(C)c1	ZINC001087007249	953092236	/nfs/dbraw/zinc/09/22/36/953092236.db2.gz	VFIRHYBDCJGOEH-JKSUJKDBSA-N	1	0	353.430	1.170	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)c(OC)c2)C[C@H]1c1cnn(C)c1	ZINC001087008075	953094925	/nfs/dbraw/zinc/09/49/25/953094925.db2.gz	LVAYSNMMHWIQMH-DLBZAZTESA-N	1	0	370.453	1.821	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](F)Cc2ccccc2)C[C@H]1c1cnn(C)c1	ZINC001087010859	953102353	/nfs/dbraw/zinc/10/23/53/953102353.db2.gz	VCVBFMSNMILYBV-GBESFXJTSA-N	1	0	354.429	1.518	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2csc(C3CC3)n2)C[C@H]1c1cnn(C)c1	ZINC001087011612	953104285	/nfs/dbraw/zinc/10/42/85/953104285.db2.gz	GHFDRELFSJAFTJ-LSDHHAIUSA-N	1	0	355.467	1.585	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc(C(C)C)s2)C[C@H]1c1cnn(C)c1	ZINC001087012733	953107508	/nfs/dbraw/zinc/10/75/08/953107508.db2.gz	MYBFHSFOTKTNNJ-LSDHHAIUSA-N	1	0	357.483	1.831	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087028694	953117720	/nfs/dbraw/zinc/11/77/20/953117720.db2.gz	STHFJOYUDBAUPW-SJLPKXTDSA-N	1	0	353.426	1.548	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)OC)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001087031903	953129044	/nfs/dbraw/zinc/12/90/44/953129044.db2.gz	RJNKDFWUEFDRJZ-MZMPZRCHSA-N	1	0	363.433	1.685	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1ccc(COC)cc1	ZINC001087035531	953145208	/nfs/dbraw/zinc/14/52/08/953145208.db2.gz	DDLBJHFOROOROT-ATZDWAIDSA-N	1	0	359.470	1.946	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1nc2ccccc2o1	ZINC001087035615	953145633	/nfs/dbraw/zinc/14/56/33/953145633.db2.gz	HREZBMSQOMEDOA-CKEIUWERSA-N	1	0	356.426	1.941	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1cccc(N(C)C)c1	ZINC001087035728	953145745	/nfs/dbraw/zinc/14/57/45/953145745.db2.gz	LBLZVPMENSLOMB-SZVBFZGTSA-N	1	0	358.486	1.865	20	30		FDEDRO
CCOc1cccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2OCC)n1	ZINC001087035907	953146232	/nfs/dbraw/zinc/14/62/32/953146232.db2.gz	QVBSBZHPOZZWLF-BFYDXBDKSA-N	1	0	360.458	1.593	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001087035923	953146352	/nfs/dbraw/zinc/14/63/52/953146352.db2.gz	REAXAIZGDXKBKU-FDQGKXFDSA-N	1	0	358.417	1.810	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+][C@H](C)c1cnccn1	ZINC001087039855	953156167	/nfs/dbraw/zinc/15/61/67/953156167.db2.gz	HFGQJNNTHUFCIO-DDUZABMNSA-N	1	0	368.441	1.504	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1cncc(C)c1	ZINC001087045478	953170350	/nfs/dbraw/zinc/17/03/50/953170350.db2.gz	KFZXTHHOAWUYIF-VQIMIIECSA-N	1	0	367.453	1.857	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C3(C)CCC3)C[C@H]2OCC)C1=O	ZINC001087073839	953229161	/nfs/dbraw/zinc/22/91/61/953229161.db2.gz	QAKWANXJRNYXKG-IXDOHACOSA-N	1	0	363.502	1.417	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087076491	953233579	/nfs/dbraw/zinc/23/35/79/953233579.db2.gz	DVBOYHKJSYFXFH-RTBURBONSA-N	1	0	368.437	1.742	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001087087389	953249233	/nfs/dbraw/zinc/24/92/33/953249233.db2.gz	HMRUOGFDRXOAQK-RHSMWYFYSA-N	1	0	371.466	1.677	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CC)[C@H](OCC)C1	ZINC001087079703	953264531	/nfs/dbraw/zinc/26/45/31/953264531.db2.gz	CIPLDOPYRDKCLM-GPMSIDNRSA-N	1	0	363.506	1.853	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CCN1c1nc(C)cc(C#N)n1	ZINC001091829665	953365973	/nfs/dbraw/zinc/36/59/73/953365973.db2.gz	MFGBOCCFIPAHPY-DLBZAZTESA-N	1	0	356.474	1.615	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CCN1c1ccnc(C#N)n1	ZINC001091826234	953500542	/nfs/dbraw/zinc/50/05/42/953500542.db2.gz	NBJARGUHQFJSNJ-LSDHHAIUSA-N	1	0	358.490	1.800	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCN3c3nccs3)C[C@]2(C)C1	ZINC001091882557	953512870	/nfs/dbraw/zinc/51/28/70/953512870.db2.gz	AAJJJWNVDKNTNO-GJYPPUQNSA-N	1	0	358.511	1.916	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@@H]3CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]3C2)n1	ZINC001091854648	953547413	/nfs/dbraw/zinc/54/74/13/953547413.db2.gz	DJPPWVFYYNYSEF-CVEARBPZSA-N	1	0	370.501	1.536	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@H]1O	ZINC001196811941	971940903	/nfs/dbraw/zinc/94/09/03/971940903.db2.gz	GLYPDVXCCSKXNS-NMLBUPMWSA-N	1	0	374.481	1.346	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4nc(C)nn4C3)C[C@]2(C)C1	ZINC001091877241	953648114	/nfs/dbraw/zinc/64/81/14/953648114.db2.gz	GAIWDQNWNLXGPT-QKLQHJQFSA-N	1	0	357.502	1.895	20	30		FDEDRO
C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)c3c(C)c(C)n[nH]c3=O)C[C@]2(C)C1	ZINC001091903699	953668707	/nfs/dbraw/zinc/66/87/07/953668707.db2.gz	UEXQBXAUDRLTCS-DYVFJYSZSA-N	1	0	350.850	1.945	20	30		FDEDRO
Cc1n[nH]nc1C(=O)N1C[C@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@]2(C)C1	ZINC001091906347	953678733	/nfs/dbraw/zinc/67/87/33/953678733.db2.gz	NQFGXJDPFXUQJC-BEFAXECRSA-N	1	0	368.416	1.718	20	30		FDEDRO
C[C@]12CN(C(=O)c3c[nH]c(=O)cn3)C[C@H]1C[N@H+](Cc1ccc(C#N)s1)C2	ZINC001091960945	953744149	/nfs/dbraw/zinc/74/41/49/953744149.db2.gz	XSGKPFRKWVOWFE-XIKOKIGWSA-N	1	0	369.450	1.297	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C[C@H]1C[N@H+](CC#Cc1ccc(F)cc1)C2	ZINC001091936946	953784794	/nfs/dbraw/zinc/78/47/94/953784794.db2.gz	UWZOLKNTHHNUHV-XNXZFIKKSA-N	1	0	368.452	1.850	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@]3(F)CCOC3)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001091951760	953829791	/nfs/dbraw/zinc/82/97/91/953829791.db2.gz	YHPGIVQUBZHHOE-HLAWJBBLSA-N	1	0	356.441	1.947	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CCN1c1ccncc1C#N	ZINC001092005043	953941488	/nfs/dbraw/zinc/94/14/88/953941488.db2.gz	PQCVFELJBYGUGC-PBHICJAKSA-N	1	0	357.458	1.147	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCN(c2ccc(C#N)cn2)[C@@H]1C	ZINC001091973106	953960569	/nfs/dbraw/zinc/96/05/69/953960569.db2.gz	WGACVIWVFHLRQL-UXLLHSPISA-N	1	0	357.458	1.005	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4conc4C)C[C@]3(C)C2)C1=O	ZINC001091974256	953962359	/nfs/dbraw/zinc/96/23/59/953962359.db2.gz	WPMVAGHLSDYBKV-ALKREAHSSA-N	1	0	358.442	1.164	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)CCC2CCCC2)C1	ZINC001196932286	971976648	/nfs/dbraw/zinc/97/66/48/971976648.db2.gz	HKXPWAPYUHOKJD-KBAYOESNSA-N	1	0	365.518	1.589	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CCN1c1cncc(C#N)n1	ZINC001092028896	954125328	/nfs/dbraw/zinc/12/53/28/954125328.db2.gz	OFTIFDYKBYUHER-WBVHZDCISA-N	1	0	370.501	1.944	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cc(C)[nH]c4C)C[C@]3(C)C2)C1=O	ZINC001092052831	954147924	/nfs/dbraw/zinc/14/79/24/954147924.db2.gz	ONZCXSXXAZUEQI-MMOPVJDHSA-N	1	0	370.497	1.812	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3nnn(C)c3C(F)(F)F)C[C@]2(C)C1	ZINC001092079733	954226903	/nfs/dbraw/zinc/22/69/03/954226903.db2.gz	VPILGMWCLCHCAP-ABAIWWIYSA-N	1	0	357.380	1.804	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCn3cncn3)C[C@@]2(C)C1	ZINC001092086670	954240727	/nfs/dbraw/zinc/24/07/27/954240727.db2.gz	PLDYHVMUTPTXCC-LXZJYRNTSA-N	1	0	373.501	1.430	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)NC(=O)c1ccco1)C2	ZINC001110128859	954391545	/nfs/dbraw/zinc/39/15/45/954391545.db2.gz	FGPVXEORYDEECM-FZKCQIBNSA-N	1	0	361.442	1.322	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3cn(C4CCOCC4)nn3)C[C@]2(C)C1	ZINC001092180729	954472705	/nfs/dbraw/zinc/47/27/05/954472705.db2.gz	XXFVNSLJGYSFRF-BEFAXECRSA-N	1	0	359.474	1.600	20	30		FDEDRO
COc1c(O)c(C=NNC(=S)NCCC[NH+](C)C)ccc1[N+](=O)[O-]	ZINC000773054208	954594289	/nfs/dbraw/zinc/59/42/89/954594289.db2.gz	PAIQGNXNZWVEIN-UHFFFAOYSA-N	1	0	355.420	1.059	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+](CCc4ccnn4C)C[C@@]3(C)C2)cn1	ZINC001092211774	954619389	/nfs/dbraw/zinc/61/93/89/954619389.db2.gz	MHOOWLPDSJEZFT-UTKZUKDTSA-N	1	0	363.465	1.433	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3cccc(-n4cnnn4)c3)C[C@]2(C)C1	ZINC001092266682	954635328	/nfs/dbraw/zinc/63/53/28/954635328.db2.gz	GMLQPFIZDGASHJ-APWZRJJASA-N	1	0	352.442	1.632	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C[C@]2(C)C1	ZINC001092266540	954635382	/nfs/dbraw/zinc/63/53/82/954635382.db2.gz	BRODPRLQDWHGRB-LZJOCLMNSA-N	1	0	357.498	1.581	20	30		FDEDRO
CCCCCC[N@H+](C)CC(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O	ZINC001197000823	972032925	/nfs/dbraw/zinc/03/29/25/972032925.db2.gz	LQKWSJBKCQFRIL-NHCUHLMSSA-N	1	0	371.525	1.712	20	30		FDEDRO
C[NH+](C)CCC(=O)N1C[C@H]2CN(c3nc(C#N)c(Cl)s3)C[C@@]2(C)C1	ZINC001092305146	954767940	/nfs/dbraw/zinc/76/79/40/954767940.db2.gz	CVAUGGRPLLELAK-MEDUHNTESA-N	1	0	367.906	1.905	20	30		FDEDRO
CC[C@@H](C(=O)N1C[C@H]2CN(c3nccnc3C#N)C[C@@]2(C)C1)[NH+](CC)CC	ZINC001092307444	954775856	/nfs/dbraw/zinc/77/58/56/954775856.db2.gz	XPANJPJTRXNXNR-SYNHAJSKSA-N	1	0	370.501	1.753	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2C[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@@]3(C)C2)cc1	ZINC001092308016	954778451	/nfs/dbraw/zinc/77/84/51/954778451.db2.gz	BXHHYZJSDHOFKJ-XPIZARPCSA-N	1	0	371.481	1.448	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2C[C@H]3C[N@@H+](CC(=O)NC)C[C@@]3(C)C2)cc1	ZINC001092308504	954780209	/nfs/dbraw/zinc/78/02/09/954780209.db2.gz	LBIBKTULSHVGHI-UTKZUKDTSA-N	1	0	371.481	1.320	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc(NC(=O)NC)cc3)C[C@]2(C)C1	ZINC001092311303	954789247	/nfs/dbraw/zinc/78/92/47/954789247.db2.gz	MSKKZQCENTWNSQ-UZLBHIALSA-N	1	0	354.454	1.855	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(NC(C)=O)c2)C1	ZINC001197048890	972052069	/nfs/dbraw/zinc/05/20/69/972052069.db2.gz	IFANEMKGDRFZHU-IAGOWNOFSA-N	1	0	360.458	1.561	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C(C)(C)C[NH2+][C@H]2CCNC2=O)CC1	ZINC001092332776	954959437	/nfs/dbraw/zinc/95/94/37/954959437.db2.gz	BSCKTPKBZCKDNS-IKGGRYGDSA-N	1	0	363.502	1.320	20	30		FDEDRO
CC(C)[C@@H](C(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C)[NH+]1CCCC1	ZINC001092372280	955045013	/nfs/dbraw/zinc/04/50/13/955045013.db2.gz	BUNRFTCZQNRYPN-MDZRGWNJSA-N	1	0	370.501	1.657	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3cccc(F)c3)[C@H](C)C2)C1=O	ZINC001092442159	955108185	/nfs/dbraw/zinc/10/81/85/955108185.db2.gz	IKEIBKIODMAWBP-KYJSFNMBSA-N	1	0	359.445	1.910	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H](CNC(=O)c3ccnn3C)[C@H](C)C2)cc1C#N	ZINC001092499220	955266307	/nfs/dbraw/zinc/26/63/07/955266307.db2.gz	NYIJHVMJZWXSSR-RHSMWYFYSA-N	1	0	367.453	1.798	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)[C@@H]1CN(C)CCO1	ZINC001092522047	955314054	/nfs/dbraw/zinc/31/40/54/955314054.db2.gz	JWNYQTWAHUFUPB-CPUCHLNUSA-N	1	0	362.499	1.134	20	30		FDEDRO
C[C@@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)[C@H](C)C1	ZINC001092528103	955337692	/nfs/dbraw/zinc/33/76/92/955337692.db2.gz	VHQCEIOPELEAAP-IJEWVQPXSA-N	1	0	371.485	1.631	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1CCNC(=O)[C@@H](C1CC1)[NH+](C)C	ZINC001092550293	955397014	/nfs/dbraw/zinc/39/70/14/955397014.db2.gz	SALNQVDAXRLKHW-IDHHARJASA-N	1	0	355.486	1.872	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3csnc3C)[C@H](C)C2)C1=O	ZINC001092553543	955416607	/nfs/dbraw/zinc/41/66/07/955416607.db2.gz	JCEIAGYBNLKCAY-XPKDYRNWSA-N	1	0	362.499	1.536	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC001092554848	955424779	/nfs/dbraw/zinc/42/47/79/955424779.db2.gz	JVIURFSGRJUFBA-GDBMZVCRSA-N	1	0	357.458	1.197	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)NCC[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C	ZINC001092558677	955445359	/nfs/dbraw/zinc/44/53/59/955445359.db2.gz	PLNMOJAOKYFRNF-HUUCEWRRSA-N	1	0	358.490	1.657	20	30		FDEDRO
CC(C)[C@@H](C(=O)NCC[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C)[NH+](C)C	ZINC001092533748	955504725	/nfs/dbraw/zinc/50/47/25/955504725.db2.gz	ZAYAFVVJEBNQJF-RKVPGOIHSA-N	1	0	358.490	1.513	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1CCNC(=O)C1(C[NH+](C)C)CC1	ZINC001092574663	955694675	/nfs/dbraw/zinc/69/46/75/955694675.db2.gz	TVGMNEIRLVMXON-HZPDHXFCSA-N	1	0	355.486	1.874	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)C3C=CC=CC=C3)[C@H](C)C2)C1=O	ZINC001092647997	955785275	/nfs/dbraw/zinc/78/52/75/955785275.db2.gz	BZFVDXNWGFFXCX-BHIYHBOVSA-N	1	0	355.482	1.756	20	30		FDEDRO
Cc1cc(NCC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C)c(C#N)cn1	ZINC001092615395	955823320	/nfs/dbraw/zinc/82/33/20/955823320.db2.gz	MAIJTIOFHDYPAR-NVXWUHKLSA-N	1	0	357.502	1.920	20	30		FDEDRO
Cc1cc(C#N)nc(NCC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C)n1	ZINC001092626522	955878855	/nfs/dbraw/zinc/87/88/55/955878855.db2.gz	WYWVCLWPARUTJT-GDBMZVCRSA-N	1	0	370.501	1.895	20	30		FDEDRO
CCN1C[C@H](C(=O)NC[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2C)CC1=O	ZINC001092655470	955910271	/nfs/dbraw/zinc/91/02/71/955910271.db2.gz	QARDUSPWDNUPAO-MISYRCLQSA-N	1	0	367.493	1.591	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1C	ZINC001092678199	955998092	/nfs/dbraw/zinc/99/80/92/955998092.db2.gz	ZCNQRYYOIFEMAI-NUJGCVRESA-N	1	0	358.486	1.593	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CNC(=O)c3ccccc32)[C@H](C)C1	ZINC001092682674	956016025	/nfs/dbraw/zinc/01/60/25/956016025.db2.gz	LRBIQWYPPDVURA-SUYBPPKGSA-N	1	0	361.873	1.950	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)c1cc2n(n1)CCO2	ZINC001092682646	956016068	/nfs/dbraw/zinc/01/60/68/956016068.db2.gz	KRWGPDLHMABSBN-SJLPKXTDSA-N	1	0	364.449	1.625	20	30		FDEDRO
C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CNc1ncc(C#N)cc1F	ZINC001092653754	956044072	/nfs/dbraw/zinc/04/40/72/956044072.db2.gz	PRTIUOZVJHBLCQ-UKRRQHHQSA-N	1	0	363.437	1.177	20	30		FDEDRO
C[NH+](C)[C@H](C(=O)NC[C@]12CCC[C@H]1N(c1nccnc1C#N)CC2)C1CC1	ZINC001092704839	956116005	/nfs/dbraw/zinc/11/60/05/956116005.db2.gz	PHAXRSOPZJSSJO-FUHIMQAGSA-N	1	0	368.485	1.554	20	30		FDEDRO
C[NH+](C)[C@H](C(=O)NC[C@]12CCC[C@H]1N(c1cncc(C#N)n1)CC2)C1CC1	ZINC001092705301	956117269	/nfs/dbraw/zinc/11/72/69/956117269.db2.gz	YVCYRZZINCDIOO-IMFGXOCKSA-N	1	0	368.485	1.554	20	30		FDEDRO
CC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1N(c1ccc(C#N)nn1)CC2	ZINC001092706630	956125735	/nfs/dbraw/zinc/12/57/35/956125735.db2.gz	QJCODPOEOWNVDU-VQIMIIECSA-N	1	0	356.474	1.555	20	30		FDEDRO
C[NH+](C)CCCC(=O)NC[C@]12CCC[C@H]1N(c1cncc(C#N)n1)CC2	ZINC001092714050	956158784	/nfs/dbraw/zinc/15/87/84/956158784.db2.gz	YFWUGKCFYSCTSN-VQIMIIECSA-N	1	0	356.474	1.555	20	30		FDEDRO
C[N@H+](CC(=O)NC[C@]12CCC[C@H]1N(c1ccc(C#N)nn1)CC2)C1CCC1	ZINC001092717784	956170865	/nfs/dbraw/zinc/17/08/65/956170865.db2.gz	HTWJWJICOPNWJM-YLJYHZDGSA-N	1	0	368.485	1.698	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cnc(C)nc2)C[C@H]1C	ZINC001092689273	956194634	/nfs/dbraw/zinc/19/46/34/956194634.db2.gz	HGRUONFYPLNYJC-LZQZEXGQSA-N	1	0	355.486	1.067	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cncc(C)c2)C[C@H]1C	ZINC001092689303	956194746	/nfs/dbraw/zinc/19/47/46/956194746.db2.gz	HZDPNGPYPSUBPP-RLLQIKCJSA-N	1	0	354.498	1.672	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCN2c2ncccn2)[C@H](C)C1	ZINC001092690286	956200788	/nfs/dbraw/zinc/20/07/88/956200788.db2.gz	FIFVMMHSVILMFO-FVQBIDKESA-N	1	0	363.893	1.882	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](CNC(=O)c2ccc(=O)n(CCOC)n2)[C@H](C)C1	ZINC001092803420	956361728	/nfs/dbraw/zinc/36/17/28/956361728.db2.gz	XIUHTVKIOBALDH-HZPDHXFCSA-N	1	0	362.474	1.154	20	30		FDEDRO
COc1cc(C(=O)NC[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2C)nn1C	ZINC001092810411	956386265	/nfs/dbraw/zinc/38/62/65/956386265.db2.gz	RUYIMDNKSHPYBL-SJLPKXTDSA-N	1	0	366.465	1.778	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)NCC[NH+]2CCCC2)ccc1Br	ZINC001197277546	972183658	/nfs/dbraw/zinc/18/36/58/972183658.db2.gz	KMKWHHBSEPLGBG-UHFFFAOYSA-N	1	0	358.261	1.695	20	30		FDEDRO
N#Cc1nccc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+]2CCCCC2)C3)n1	ZINC001092838278	956454493	/nfs/dbraw/zinc/45/44/93/956454493.db2.gz	IGSAEVVHOUPGKM-IKGGRYGDSA-N	1	0	368.485	1.840	20	30		FDEDRO
N#Cc1cncc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+]2CCCCC2)C3)n1	ZINC001092840948	956464943	/nfs/dbraw/zinc/46/49/43/956464943.db2.gz	SCSWQLPXDXDKGS-SQNIBIBYSA-N	1	0	368.485	1.840	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)c1cn(C)c(=O)cn1	ZINC001092841818	956468978	/nfs/dbraw/zinc/46/89/78/956468978.db2.gz	BTZZAVJRNRIRQG-RHSMWYFYSA-N	1	0	365.437	1.150	20	30		FDEDRO
Cc1nn[nH]c1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1C	ZINC001092873282	956608199	/nfs/dbraw/zinc/60/81/99/956608199.db2.gz	LNXNIXVTLPHOFV-IAQYHMDHSA-N	1	0	356.405	1.622	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@H](C)C(=O)NC3CC3)C[C@H]2C)cc1	ZINC001092874255	956611516	/nfs/dbraw/zinc/61/15/16/956611516.db2.gz	HEEFQBPTYAGKLM-IIDMSEBBSA-N	1	0	353.466	1.633	20	30		FDEDRO
CCc1nc(C#N)cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C3)n1	ZINC001092885977	956668649	/nfs/dbraw/zinc/66/86/49/956668649.db2.gz	BMGYVQDRHUOWRO-PASDCYSWSA-N	1	0	368.485	1.477	20	30		FDEDRO
Cc1nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C3)ccc1C#N	ZINC001092886665	956674119	/nfs/dbraw/zinc/67/41/19/956674119.db2.gz	NVFYDLRZGZBFLP-VUHPKUFZSA-N	1	0	353.470	1.828	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2cn(C)nc2[C@H]2CCOC2)[C@H](C)C1	ZINC001092857365	956707478	/nfs/dbraw/zinc/70/74/78/956707478.db2.gz	ASCZRFCSZZTCTI-VHDGCEQUSA-N	1	0	366.893	1.974	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)c1c[nH]c(=O)cn1	ZINC001092920678	956789600	/nfs/dbraw/zinc/78/96/00/956789600.db2.gz	BYDGWBNQKAQISJ-IUODEOHRSA-N	1	0	369.400	1.279	20	30		FDEDRO
Cc1ccc(C#N)c(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2([NH+](C)C)CCC2)C3)n1	ZINC001092891420	956805034	/nfs/dbraw/zinc/80/50/34/956805034.db2.gz	MHUOTEGKFKYMTL-IKGGRYGDSA-N	1	0	353.470	1.972	20	30		FDEDRO
C=C1CCC(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]2C)CC1	ZINC001092940597	956858533	/nfs/dbraw/zinc/85/85/33/956858533.db2.gz	UOOXWXSQOQNKCK-SJLPKXTDSA-N	1	0	363.502	1.276	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CCCCC(=O)N1	ZINC001092960018	956912214	/nfs/dbraw/zinc/91/22/14/956912214.db2.gz	PYZWZQASBMEORP-MISYRCLQSA-N	1	0	367.493	1.781	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)c1cn(C)c(=O)[nH]1	ZINC001092936728	956957540	/nfs/dbraw/zinc/95/75/40/956957540.db2.gz	HZPJPXXVEDSEMR-IUODEOHRSA-N	1	0	371.416	1.634	20	30		FDEDRO
N#Cc1ccc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC[NH+]2CCCCC2)C3)nn1	ZINC001092976690	956971390	/nfs/dbraw/zinc/97/13/90/956971390.db2.gz	PHHPSPBYRAUEHH-KURKYZTESA-N	1	0	368.485	1.840	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)cn1	ZINC001092977452	956973403	/nfs/dbraw/zinc/97/34/03/956973403.db2.gz	RJCBOPYHWKEVPU-DDBAPUKQSA-N	1	0	369.469	1.147	20	30		FDEDRO
COc1cncc(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2C)n1	ZINC001093027236	957174810	/nfs/dbraw/zinc/17/48/10/957174810.db2.gz	RGHILSUEFVFESG-CHWSQXEVSA-N	1	0	371.466	1.916	20	30		FDEDRO
C[NH+](C)C1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccnc(C#N)n2)CCCC1	ZINC001093030384	957188539	/nfs/dbraw/zinc/18/85/39/957188539.db2.gz	XWYOUGIFTGWDQZ-OAGGEKHMSA-N	1	0	368.485	1.839	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1C	ZINC001093040669	957265407	/nfs/dbraw/zinc/26/54/07/957265407.db2.gz	SMRCOJSLXAJMSB-BDXSIMOUSA-N	1	0	361.490	1.334	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@@H]2C[N@H+]([C@H](C)c3cnccn3)C[C@H]2C)nn1	ZINC001093040921	957266514	/nfs/dbraw/zinc/26/65/14/957266514.db2.gz	XKEWREMNIBPLMJ-BZUAXINKSA-N	1	0	369.473	1.703	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)c1nnc[nH]1	ZINC001093064015	957300730	/nfs/dbraw/zinc/30/07/30/957300730.db2.gz	DMMRNHZQTGZWFM-UKRRQHHQSA-N	1	0	354.414	1.205	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)c3ccc(OC)cc3)[C@H](C)C2)C1=O	ZINC001093153574	957656407	/nfs/dbraw/zinc/65/64/07/957656407.db2.gz	NCMDMAVOCBNIJD-SZVBFZGTSA-N	1	0	371.481	1.780	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@@H]1CCCC(=O)N1C	ZINC001093167951	957725434	/nfs/dbraw/zinc/72/54/34/957725434.db2.gz	JLXYYJNNPPZNOL-LZQZEXGQSA-N	1	0	368.481	1.753	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@H]1CCC(=O)N(C)C1	ZINC001093230446	957864304	/nfs/dbraw/zinc/86/43/04/957864304.db2.gz	FKICEVFNNGYEEY-AYOQOUSVSA-N	1	0	368.481	1.611	20	30		FDEDRO
C#C[C@H](NC(=O)NC[C@H](C(CC)CC)[NH+]1CCOCC1)[C@@H]1CCCO1	ZINC000773167122	957904226	/nfs/dbraw/zinc/90/42/26/957904226.db2.gz	WGPPKUUHSOOCHI-KSZLIROESA-N	1	0	351.491	1.603	20	30		FDEDRO
Cc1nonc1C(=O)NC[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1C	ZINC001093252405	957930384	/nfs/dbraw/zinc/93/03/84/957930384.db2.gz	KRVISKTZDXZBRL-IAQYHMDHSA-N	1	0	357.389	1.887	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3cnsn3)C[C@H]2C)C1=O	ZINC001093271605	957938631	/nfs/dbraw/zinc/93/86/31/957938631.db2.gz	JZVBMUIEFGVJRE-MCIONIFRSA-N	1	0	363.487	1.013	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3cncc(C)c3)C[C@H]2C)C1=O	ZINC001093271757	957938754	/nfs/dbraw/zinc/93/87/54/957938754.db2.gz	KXUPKUSVFMEXFH-ZHALLVOQSA-N	1	0	370.497	1.865	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CC[NH2+][C@H]1CCCN(C)C1=O	ZINC001093274234	957944032	/nfs/dbraw/zinc/94/40/32/957944032.db2.gz	MFZNTEPGBHRVFR-CPUCHLNUSA-N	1	0	357.458	1.195	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3ccns3)C[C@H]2C)C1=O	ZINC001093279415	957952126	/nfs/dbraw/zinc/95/21/26/957952126.db2.gz	ZXBRKMPPGHCOJA-KFWWJZLASA-N	1	0	362.499	1.618	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3n[nH]cc3C)C[C@H]2C)C1=O	ZINC001093279383	957952287	/nfs/dbraw/zinc/95/22/87/957952287.db2.gz	ZLYHJANUTWSXNG-BZUAXINKSA-N	1	0	359.474	1.193	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3conc3C)C[C@H]2C)C1=O	ZINC001093284910	957966562	/nfs/dbraw/zinc/96/65/62/957966562.db2.gz	LIMAJZYMTGSWKG-UNEWFSDZSA-N	1	0	360.458	1.458	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3n[nH]cc3F)C[C@H]2C)C1=O	ZINC001093286219	957970482	/nfs/dbraw/zinc/97/04/82/957970482.db2.gz	YKBKUWRKIJTPBL-UMVBOHGHSA-N	1	0	363.437	1.024	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3ccnc(C)n3)C[C@H]2C)C1=O	ZINC001093292798	957989327	/nfs/dbraw/zinc/98/93/27/957989327.db2.gz	YABONVAIPMWABN-DJIMGWMZSA-N	1	0	371.485	1.260	20	30		FDEDRO
C#CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1ccnn1C)CCO2	ZINC001093403281	958023003	/nfs/dbraw/zinc/02/30/03/958023003.db2.gz	MOIWSILVTXBBPL-MUZJZNNISA-N	1	0	356.470	1.287	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093432130	958057712	/nfs/dbraw/zinc/05/77/12/958057712.db2.gz	BCBPGWKAADXSRI-MLYOOKFZSA-N	1	0	358.486	1.941	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452387	958059825	/nfs/dbraw/zinc/05/98/25/958059825.db2.gz	HYWLLSFLNRZYHL-MLYOOKFZSA-N	1	0	358.486	1.941	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C)nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093437489	958070032	/nfs/dbraw/zinc/07/00/32/958070032.db2.gz	SFTSQWJWOZYXDC-XSYGEPLQSA-N	1	0	360.502	1.884	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C)nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093437487	958070091	/nfs/dbraw/zinc/07/00/91/958070091.db2.gz	SFTSQWJWOZYXDC-MLYOOKFZSA-N	1	0	360.502	1.884	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnnn3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093443444	958085204	/nfs/dbraw/zinc/08/52/04/958085204.db2.gz	QMPFINLZJYBGEY-KLICCBINSA-N	1	0	361.490	1.454	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)C#CC2CC2)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccn(C)n1)C2	ZINC001093443927	958088057	/nfs/dbraw/zinc/08/80/57/958088057.db2.gz	WMXMNFURMCRRAT-UKAVVXHISA-N	1	0	370.497	1.300	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(C4CCC4)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093446067	958092465	/nfs/dbraw/zinc/09/24/65/958092465.db2.gz	FJQUVHHLFGYFOX-ANTGDGSKSA-N	1	0	370.497	1.821	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(OC)no3)[C@H]2C(C)C)C[C@H]1O	ZINC001093445803	958092705	/nfs/dbraw/zinc/09/27/05/958092705.db2.gz	YYHVMTBQZWKCLZ-XNWVLMOPSA-N	1	0	363.458	1.839	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)nnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093449792	958117462	/nfs/dbraw/zinc/11/74/62/958117462.db2.gz	QLMJFTGCZYJFEL-FTEYMNFISA-N	1	0	356.470	1.306	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)c2ccc3c[nH+]cn3c2)C[C@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001093459479	958182733	/nfs/dbraw/zinc/18/27/33/958182733.db2.gz	USBYVPMEZZCMQA-XSYGEPLQSA-N	1	0	367.453	1.438	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccnc3OC)[C@H]2C(C)C)C[C@H]1O	ZINC001093462977	958195620	/nfs/dbraw/zinc/19/56/20/958195620.db2.gz	RWKLCJUFGCJGRS-WWNBULGVSA-N	1	0	359.470	1.856	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C(N)=O)co3)[C@H]2C(C)C)C[C@H]1O	ZINC001093465276	958202992	/nfs/dbraw/zinc/20/29/92/958202992.db2.gz	IZHKVRMKGDSDEV-ZLHSVIROSA-N	1	0	361.442	1.144	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3coc(CC4CC4)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093469634	958223119	/nfs/dbraw/zinc/22/31/19/958223119.db2.gz	JDFQSWQXFYFRKU-STQYRHOTSA-N	1	0	371.481	1.840	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)nc(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093469871	958224963	/nfs/dbraw/zinc/22/49/63/958224963.db2.gz	MJTHQXLKXDTMAO-SOAMZJECSA-N	1	0	358.486	1.859	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nc(CC)oc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093470153	958227238	/nfs/dbraw/zinc/22/72/38/958227238.db2.gz	QDQCBWNIMAPQSM-YZDADXEPSA-N	1	0	359.470	1.758	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn4ccccc34)[C@@H]2C(C)C)C[C@H]1O	ZINC001093470743	958231087	/nfs/dbraw/zinc/23/10/87/958231087.db2.gz	YYURSHFKKGSGLU-VELGLUOQSA-N	1	0	366.465	1.547	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C#C)nc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093472002	958237012	/nfs/dbraw/zinc/23/70/12/958237012.db2.gz	HOZIGSSXPGMWFU-ANTGDGSKSA-N	1	0	351.450	1.276	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C#C)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093472283	958237855	/nfs/dbraw/zinc/23/78/55/958237855.db2.gz	ITTIEQYZJQIMSC-ANTGDGSKSA-N	1	0	351.450	1.276	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccccc3OC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093473476	958244530	/nfs/dbraw/zinc/24/45/30/958244530.db2.gz	ODLKBKUMDBWLPH-ZJSJBZJDSA-N	1	0	356.466	1.908	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)onc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093476567	958254491	/nfs/dbraw/zinc/25/44/91/958254491.db2.gz	CPAZBONHHCTECI-QQTQMKHKSA-N	1	0	359.470	1.758	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn4cccnc4n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093452612	958258431	/nfs/dbraw/zinc/25/84/31/958258431.db2.gz	LKYWECDOUUBFHW-PYQAKABTSA-N	1	0	369.469	1.495	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(C)c3Cl)[C@@H]2C(C)C)C[C@H]1O	ZINC001093454141	958265163	/nfs/dbraw/zinc/26/51/63/958265163.db2.gz	ZPCCGEHIUJCBNA-ATNYBXOESA-N	1	0	364.877	1.286	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)cnn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093455020	958270182	/nfs/dbraw/zinc/27/01/82/958270182.db2.gz	JDOSGLLXRUEULR-HBXLWWENSA-N	1	0	360.502	1.884	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH]c(=O)n3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093455347	958272336	/nfs/dbraw/zinc/27/23/36/958272336.db2.gz	MFBVOMPNKVVRTH-JNNRSPCRSA-N	1	0	362.474	1.282	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3nc(C)cc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093458215	958282244	/nfs/dbraw/zinc/28/22/44/958282244.db2.gz	MLGRQOZENLXKSF-IZBJGVDFSA-N	1	0	360.502	1.652	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3cncc(C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093458729	958285295	/nfs/dbraw/zinc/28/52/95/958285295.db2.gz	OVJLIKCWMGJTNT-WKDRNLAYSA-N	1	0	369.509	1.922	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3cccnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093458882	958286531	/nfs/dbraw/zinc/28/65/31/958286531.db2.gz	PUZGLNHUKGWVLB-VURPSTOHSA-N	1	0	355.482	1.614	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c(C)n[nH]c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093477715	958289077	/nfs/dbraw/zinc/28/90/77/958289077.db2.gz	LEIBKTUQAMGUIV-LFGUQSLTSA-N	1	0	360.502	1.721	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccnc3OCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093478032	958291667	/nfs/dbraw/zinc/29/16/67/958291667.db2.gz	OVRLGFBDIFOOHH-NEYJZJCJSA-N	1	0	371.481	1.693	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncccc3OCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093478791	958296084	/nfs/dbraw/zinc/29/60/84/958296084.db2.gz	FDYDVXSBBSTIAV-NVEXJGOOSA-N	1	0	371.481	1.693	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(CC)n(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093479880	958300351	/nfs/dbraw/zinc/30/03/51/958300351.db2.gz	PYGGLEVQHIQCGL-XSYGEPLQSA-N	1	0	360.502	1.748	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncnc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093480828	958305082	/nfs/dbraw/zinc/30/50/82/958305082.db2.gz	PCQAVADNJOQOEJ-MLYOOKFZSA-N	1	0	358.486	1.805	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2COC(C)(C)C)CC1	ZINC001197629267	972346767	/nfs/dbraw/zinc/34/67/67/972346767.db2.gz	DCWJVEJGMAAJNV-QZTJIDSGSA-N	1	0	364.534	1.958	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001093680458	958484006	/nfs/dbraw/zinc/48/40/06/958484006.db2.gz	ISPQJWMPPJGNDX-IUODEOHRSA-N	1	0	368.416	1.567	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001093682366	958489724	/nfs/dbraw/zinc/48/97/24/958489724.db2.gz	UHAUVZKDYFICDK-IUODEOHRSA-N	1	0	368.416	1.567	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001093684992	958498761	/nfs/dbraw/zinc/49/87/61/958498761.db2.gz	ROPRMPRGTGLQIS-CZUORRHYSA-N	1	0	355.417	1.847	20	30		FDEDRO
CCc1nnc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)o1	ZINC001093699500	958565407	/nfs/dbraw/zinc/56/54/07/958565407.db2.gz	ATHYMRZNNMGTRH-YRGRVCCFSA-N	1	0	356.430	1.891	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1nnc(C(C)(C)C)[nH]1	ZINC001093700003	958566373	/nfs/dbraw/zinc/56/63/73/958566373.db2.gz	UHBWJUBJQNTOST-TZMCWYRMSA-N	1	0	369.473	1.800	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)nn1	ZINC001093700096	958568693	/nfs/dbraw/zinc/56/86/93/958568693.db2.gz	YPNBPXCZWGEEEP-TZMCWYRMSA-N	1	0	354.414	1.183	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1nnc(C(C)(C)C)[nH]1	ZINC001093725742	958608649	/nfs/dbraw/zinc/60/86/49/958608649.db2.gz	CATNTXOCGXZTGC-TZMCWYRMSA-N	1	0	369.473	1.800	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3c(C)coc3C)C[C@H]2C)C1=O	ZINC001093749654	958672845	/nfs/dbraw/zinc/67/28/45/958672845.db2.gz	MAJBUCDOPJTNOL-XYPHTWIQSA-N	1	0	359.470	1.981	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H](C[NH2+]Cc3cc(F)ccc3C#N)[C@H](C)C2)[nH]1	ZINC001093760474	958698913	/nfs/dbraw/zinc/69/89/13/958698913.db2.gz	RCRWGPJNPWDOPF-MLGOLLRUSA-N	1	0	370.432	1.551	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001093765020	958708757	/nfs/dbraw/zinc/70/87/57/958708757.db2.gz	QMKUFLQJBCHORO-RHSMWYFYSA-N	1	0	369.444	1.858	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093827488	958908836	/nfs/dbraw/zinc/90/88/36/958908836.db2.gz	IWNCXJGMGNEENN-RHSMWYFYSA-N	1	0	365.437	1.645	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2cc(Br)cnc2OC)CC1	ZINC000862825403	972386282	/nfs/dbraw/zinc/38/62/82/972386282.db2.gz	DKTJWDHGQSJFEC-UHFFFAOYSA-N	1	0	366.259	1.814	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)nc2)[C@H](C)C1	ZINC001093832816	958926132	/nfs/dbraw/zinc/92/61/32/958926132.db2.gz	AZEZSKFULPHBNV-QRQLOZEOSA-N	1	0	370.497	1.372	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2coc(C3CC3)n2)[C@H](C)C1	ZINC001093833137	958928845	/nfs/dbraw/zinc/92/88/45/958928845.db2.gz	UGMJHFNTHOBUBY-SUMDDJOVSA-N	1	0	370.497	1.834	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001093842586	958957314	/nfs/dbraw/zinc/95/73/14/958957314.db2.gz	CCAMRLUTWQYIDC-MLGOLLRUSA-N	1	0	369.400	1.691	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@](C)(NC(C)=O)C2CC2)C1	ZINC001197752230	972415515	/nfs/dbraw/zinc/41/55/15/972415515.db2.gz	JVFCNWVWWORDIW-ZHALLVOQSA-N	1	0	353.507	1.423	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ccn(C)c(=O)c3)[C@H](C)C2)cc1	ZINC001093957706	959352792	/nfs/dbraw/zinc/35/27/92/959352792.db2.gz	VJVMEELAZFZAOZ-OXQOHEQNSA-N	1	0	363.461	1.865	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2C)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093962084	959366844	/nfs/dbraw/zinc/36/68/44/959366844.db2.gz	HZJVBNRHOJUGBG-LZQZEXGQSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)[C@H](C)C1	ZINC001093962277	959367322	/nfs/dbraw/zinc/36/73/22/959367322.db2.gz	SPAKVSHZJQHBFF-OWCLPIDISA-N	1	0	356.532	1.708	20	30		FDEDRO
COc1nn(C)cc1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1	ZINC001093962164	959367682	/nfs/dbraw/zinc/36/76/82/959367682.db2.gz	JMDVYQOARJIOMC-RHSMWYFYSA-N	1	0	367.453	1.798	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3cc(C)c(C)cn3)C[C@H]2C)C1=O	ZINC001093934044	959390845	/nfs/dbraw/zinc/39/08/45/959390845.db2.gz	XNCFHWGQYRSNBU-KZNAEPCWSA-N	1	0	370.497	1.783	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093940203	959406431	/nfs/dbraw/zinc/40/64/31/959406431.db2.gz	YXMILWZJZZGMTR-CXAGYDPISA-N	1	0	366.421	1.748	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)N2CCCC2=O)C1	ZINC001197769855	972426919	/nfs/dbraw/zinc/42/69/19/972426919.db2.gz	NPYVKYZLDYCHFH-GVDBMIGSSA-N	1	0	351.491	1.295	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093986034	959426067	/nfs/dbraw/zinc/42/60/67/959426067.db2.gz	QZUKNAIJUNKOEC-FPDPHYFHSA-N	1	0	368.481	1.659	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001094037808	959579619	/nfs/dbraw/zinc/57/96/19/959579619.db2.gz	ZGGCVAMTBSXOEI-ZTQAJYAQSA-N	1	0	354.454	1.269	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CC3=CCOCC3)C[C@H]2C)C1=O	ZINC001094018227	959665461	/nfs/dbraw/zinc/66/54/61/959665461.db2.gz	MCIIZBRKDPGZOI-NXHRZFHOSA-N	1	0	361.486	1.194	20	30		FDEDRO
Cc1ccnn1CC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1	ZINC001094079036	959718160	/nfs/dbraw/zinc/71/81/60/959718160.db2.gz	OKMUBFYAOHULFH-DNVCBOLYSA-N	1	0	351.454	1.948	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]C[C@@H]3CC(C)(C)CO3)[C@H](C)C2)nn1	ZINC001094095669	959773408	/nfs/dbraw/zinc/77/34/08/959773408.db2.gz	VRYNKAOLNZCHNP-OAGGEKHMSA-N	1	0	361.490	1.577	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cncn2C)[C@H](C)C1	ZINC001094099670	959782298	/nfs/dbraw/zinc/78/22/98/959782298.db2.gz	JGTOLZOBESLPOL-FPAYPSAMSA-N	1	0	360.502	1.976	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ncccn2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001094125451	959829208	/nfs/dbraw/zinc/82/92/08/959829208.db2.gz	GLUIDAPOXUWAOA-CZUORRHYSA-N	1	0	353.401	1.985	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3c[nH]nc3C3CC3)C[C@H]2C)C1=O	ZINC001094145001	959900932	/nfs/dbraw/zinc/90/09/32/959900932.db2.gz	SPAJSVCWTMSYBY-UNEWFSDZSA-N	1	0	371.485	1.372	20	30		FDEDRO
C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)cc3)[C@H](C)C2)C1	ZINC001094156280	959925939	/nfs/dbraw/zinc/92/59/39/959925939.db2.gz	JMZNCBDUFUBSHP-FRQCXROJSA-N	1	0	368.481	1.611	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)c3nnc(C)o3)[C@H](C)C2)nc1	ZINC001094174528	959978460	/nfs/dbraw/zinc/97/84/60/959978460.db2.gz	MRCGUFDBRRHVSW-DVOMOZLQSA-N	1	0	353.426	1.813	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]C[C@H]3CCNC(=O)CC3)[C@H](C)C2)nc1	ZINC001094174996	959980049	/nfs/dbraw/zinc/98/00/49/959980049.db2.gz	WBGSYJFFHQUUBZ-KBAYOESNSA-N	1	0	368.481	1.277	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)c3nc(C)no3)[C@H](C)C2)cn1	ZINC001094176825	959982999	/nfs/dbraw/zinc/98/29/99/959982999.db2.gz	YQDFQMNPAMXOGG-DVOMOZLQSA-N	1	0	353.426	1.813	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001094206679	960002852	/nfs/dbraw/zinc/00/28/52/960002852.db2.gz	RGGICLQJQCXQSD-CHWSQXEVSA-N	1	0	371.466	1.211	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3cccc(OC)c3)C[C@H]2C)C1=O	ZINC001094184302	960061969	/nfs/dbraw/zinc/06/19/69/960061969.db2.gz	QPWHMXIPTVMSIC-SZVBFZGTSA-N	1	0	371.481	1.780	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCC(=O)N2C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001094195851	960093579	/nfs/dbraw/zinc/09/35/79/960093579.db2.gz	ITXVQPIBPNQKEY-LZQZEXGQSA-N	1	0	368.481	1.753	20	30		FDEDRO
C#C[C@H](N[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCO1	ZINC000775789835	972479967	/nfs/dbraw/zinc/47/99/67/972479967.db2.gz	FFDNMGQNGPGQMK-RSPOEFSDSA-N	1	0	355.482	1.536	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001094253926	960196165	/nfs/dbraw/zinc/19/61/65/960196165.db2.gz	LVZJHBLGDUXMBI-SJLPKXTDSA-N	1	0	367.453	1.670	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@]3(CNC(=O)c4ccncc4)CCC[C@@H]23)C1=O	ZINC001094351561	960295184	/nfs/dbraw/zinc/29/51/84/960295184.db2.gz	ZBYHXSJWXSMRRV-WAOWUJCRSA-N	1	0	368.481	1.843	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@@]3(CNC(=O)c4ccnn4C)CCC[C@@H]23)C1=O	ZINC001094374412	960326532	/nfs/dbraw/zinc/32/65/32/960326532.db2.gz	XCOIZRSWQGBSHO-SQGPQFPESA-N	1	0	371.485	1.181	20	30		FDEDRO
N#Cc1ccccc1C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3COC(=O)N3)CCC[C@@H]12	ZINC001094407789	960388943	/nfs/dbraw/zinc/38/89/43/960388943.db2.gz	ZJSNXIBVMNGWMG-MBOZVWFJSA-N	1	0	368.437	1.527	20	30		FDEDRO
Cn1cnc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2ccc(C#N)s2)CC3)n1	ZINC001094408091	960389200	/nfs/dbraw/zinc/38/92/00/960389200.db2.gz	HFYTURHNUXHKQM-CRAIPNDOSA-N	1	0	370.482	1.923	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC(=O)N(CC(C)C)C3)CCC[C@@H]12	ZINC001094427542	960429086	/nfs/dbraw/zinc/42/90/86/960429086.db2.gz	USYYPJKCIKPWQS-DBXWQHBBSA-N	1	0	359.514	1.875	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3c(CC)c(CC)n[nH]c3=O)CCC[C@@H]12	ZINC001094427204	960429136	/nfs/dbraw/zinc/42/91/36/960429136.db2.gz	JCQKIJYLUDOGDO-OXQOHEQNSA-N	1	0	356.470	1.915	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnnn1C)CC2	ZINC001094433351	960446083	/nfs/dbraw/zinc/44/60/83/960446083.db2.gz	FUNQOBYMEACWQS-UYAOXDASSA-N	1	0	368.485	1.977	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4sccn4c3=O)CCC[C@@H]12	ZINC001094463153	960459082	/nfs/dbraw/zinc/45/90/82/960459082.db2.gz	HLNMILNOKOTGQP-DNVCBOLYSA-N	1	0	370.478	1.754	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(OCC(N)=O)cc3)CCC[C@@H]12	ZINC001094463876	960461986	/nfs/dbraw/zinc/46/19/86/960461986.db2.gz	ZPCZSXMTRIZGOP-WIYYLYMNSA-N	1	0	369.465	1.548	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)C3CC4(C3)CS(=O)(=O)C4)CCC[C@@H]12	ZINC001094444889	960510739	/nfs/dbraw/zinc/51/07/39/960510739.db2.gz	CBPSDXYSZIHBQJ-CRAIPNDOSA-N	1	0	352.500	1.358	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)CCC[C@@H]12	ZINC001094445769	960512878	/nfs/dbraw/zinc/51/28/78/960512878.db2.gz	LWOVSVFLWHDHPT-HGTKMLMNSA-N	1	0	360.376	1.327	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC1CC1)CC2	ZINC001094515655	960705276	/nfs/dbraw/zinc/70/52/76/960705276.db2.gz	GYSNNVWBXMRDNL-AXVVYFOYSA-N	1	0	361.486	1.217	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)c3nccnc3C(N)=O)CCC[C@@H]12	ZINC001094573855	960851016	/nfs/dbraw/zinc/85/10/16/960851016.db2.gz	MRSLLRJJLULMNP-AUUYWEPGSA-N	1	0	357.458	1.516	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cn(C[C@@H]4CCOC4)nn3)CCC[C@@H]12	ZINC001094548436	960884401	/nfs/dbraw/zinc/88/44/01/960884401.db2.gz	YMTGHICCXAVERL-ILZDJORESA-N	1	0	371.485	1.312	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3COCCN3C(C)=O)CCC[C@@H]12	ZINC001094583290	960908523	/nfs/dbraw/zinc/90/85/23/960908523.db2.gz	PCXQKKUPKWTKAR-QWFCFKBJSA-N	1	0	363.502	1.561	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnn(-c4nccs4)c3)CCC[C@@H]12	ZINC001094557338	960911059	/nfs/dbraw/zinc/91/10/59/960911059.db2.gz	SSVYGFNQAJXALB-CRAIPNDOSA-N	1	0	355.467	1.936	20	30		FDEDRO
C#C[C@@H](C)N(C)C(=O)C(=O)Nc1cccc(C(=O)NCC[NH+](CC)CC)c1	ZINC000773944244	961089663	/nfs/dbraw/zinc/08/96/63/961089663.db2.gz	XGQCLJMBVRGMPW-OAHLLOKOSA-N	1	0	372.469	1.177	20	30		FDEDRO
C[C@@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1C[C@]1(C)c1ccccc1	ZINC001171849022	961324197	/nfs/dbraw/zinc/32/41/97/961324197.db2.gz	AORRLKMAXVDEPG-DJPFJPOOSA-N	1	0	370.497	1.869	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCO[C@H]2[C@H](OCC(=O)N(C)C)CC[C@@H]21	ZINC001172304440	961615704	/nfs/dbraw/zinc/61/57/04/961615704.db2.gz	MYQNMANEBYEYED-MYKSZAICSA-N	1	0	371.481	1.826	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H]2O[C@@H](C(=O)N3CCOCC3)C[C@H]21	ZINC001172305362	961616348	/nfs/dbraw/zinc/61/63/48/961616348.db2.gz	RRNPNXTYMDSQRZ-HUYLIWGRSA-N	1	0	369.465	1.580	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1C[C@H](OCCO)[C@H]2OC(C)(C)O[C@@H]12	ZINC001172302514	961616511	/nfs/dbraw/zinc/61/65/11/961616511.db2.gz	LLZSRZVWPVBEQA-RBPQIDMKSA-N	1	0	360.454	1.749	20	30		FDEDRO
CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CC[N@@H+]([C@@H](C)CCCC#N)C2	ZINC001172495676	961686421	/nfs/dbraw/zinc/68/64/21/961686421.db2.gz	SPCSZGWBBYJXKV-HNAYVOBHSA-N	1	0	372.473	1.142	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)[NH+]1CCCCC1	ZINC000774152935	961778323	/nfs/dbraw/zinc/77/83/23/961778323.db2.gz	KPVFKNVVIJUUDQ-ZDUSSCGKSA-N	1	0	360.462	1.439	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H](Cc2ccccc2)C(N)=O)C[C@H]1C#N	ZINC001172965471	961852305	/nfs/dbraw/zinc/85/23/05/961852305.db2.gz	FDEWTIGVFRIQON-ULQDDVLXSA-N	1	0	372.469	1.964	20	30		FDEDRO
COC(=O)CCC(=O)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1	ZINC001172968832	961853680	/nfs/dbraw/zinc/85/36/80/961853680.db2.gz	OWANDLKLBMKYDZ-STQMWFEESA-N	1	0	353.419	1.390	20	30		FDEDRO
COC(=O)[C@@H](CCCC[NH3+])N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1	ZINC001172969024	961855976	/nfs/dbraw/zinc/85/59/76/961855976.db2.gz	RUGSIJOGWMVAMX-SOUVJXGZSA-N	1	0	368.478	1.538	20	30		FDEDRO
CNC(=O)N1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1	ZINC001172973327	961857375	/nfs/dbraw/zinc/85/73/75/961857375.db2.gz	GFJFLSZFJBZOSO-CABCVRRESA-N	1	0	365.478	1.671	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC(=O)NCc2ccco2)C[C@H]1C#N	ZINC001172977141	961858934	/nfs/dbraw/zinc/85/89/34/961858934.db2.gz	AASLBMVRXVNXJM-KBPBESRZSA-N	1	0	362.430	1.777	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H](N2CCN(CCC[NH3+])CC2)C[C@H]1C#N	ZINC001172982510	961867129	/nfs/dbraw/zinc/86/71/29/961867129.db2.gz	DBIHXCWGHCMJSZ-HOTGVXAUSA-N	1	0	351.495	1.244	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CCC(=O)N3CCC[C@@H]3C2)C[C@H]1C#N	ZINC001172994708	961902233	/nfs/dbraw/zinc/90/22/33/961902233.db2.gz	YLVFYNPWAUKQCA-OAGGEKHMSA-N	1	0	362.474	1.975	20	30		FDEDRO
C#CCN(C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1)[C@H]1CCS(=O)(=O)C1	ZINC000774253596	961923897	/nfs/dbraw/zinc/92/38/97/961923897.db2.gz	QZUXKRSDUCRIAS-SJORKVTESA-N	1	0	369.531	1.186	20	30		FDEDRO
CCS(=O)(=O)N(C1CCC(CC#N)CC1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12	ZINC001173333546	962006644	/nfs/dbraw/zinc/00/66/44/962006644.db2.gz	PTINPYYJCKATSW-WCUWXVSDSA-N	1	0	369.531	1.878	20	30		FDEDRO
COc1ccc(C(=O)N2CCC(NC3(C#N)CC[NH+](C)CC3)CC2)cc1	ZINC001173402353	962080810	/nfs/dbraw/zinc/08/08/10/962080810.db2.gz	HIHJVXGCBIGAEQ-UHFFFAOYSA-N	1	0	356.470	1.877	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+]CCCc3c[nH][nH]c3=O)CC2)cc1	ZINC001173424203	962125689	/nfs/dbraw/zinc/12/56/89/962125689.db2.gz	VGCIGPYRJKRAOP-MRXNPFEDSA-N	1	0	353.426	1.264	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+]C3CCN(C4COC4)CC3)CC2)cc1	ZINC001173426989	962138065	/nfs/dbraw/zinc/13/80/65/962138065.db2.gz	NBCUKSRPKIGZQL-UHFFFAOYSA-N	1	0	368.481	1.616	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC(NC(=[NH2+])n3nnc4ccccc43)CC2)cc1	ZINC001173428377	962141207	/nfs/dbraw/zinc/14/12/07/962141207.db2.gz	FKRFODZKNFSRFY-UHFFFAOYSA-N	1	0	373.420	1.980	20	30		FDEDRO
COC(=O)[C@]1(F)CC[N@@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1	ZINC001173429574	962145942	/nfs/dbraw/zinc/14/59/42/962145942.db2.gz	ZULXOZOJCRVQAU-IBGZPJMESA-N	1	0	359.401	1.750	20	30		FDEDRO
C[N@H+](C1CN(C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1)[C@@H]1CCOC1	ZINC001173433708	962155002	/nfs/dbraw/zinc/15/50/02/962155002.db2.gz	VFYCDDPYFQLGGG-LJQANCHMSA-N	1	0	368.481	1.568	20	30		FDEDRO
CCOC(=O)[C@H]1[C@@H]2C[N@H+](C3CCN(C(=O)c4ccc(C#N)cc4)CC3)C[C@@H]21	ZINC001173434835	962156809	/nfs/dbraw/zinc/15/68/09/962156809.db2.gz	RSOKQHCNIRTJMN-BWTSREIZSA-N	1	0	367.449	1.904	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC2CCN(CC(=O)OCc3ccccc3)CC2)CC1	ZINC001173466150	962194956	/nfs/dbraw/zinc/19/49/56/962194956.db2.gz	DWDFQOCYBLBSRS-UHFFFAOYSA-N	1	0	370.497	1.772	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCN2CCCC2=O)C1	ZINC001182669628	962379833	/nfs/dbraw/zinc/37/98/33/962379833.db2.gz	UFCZHJFPYHQYOW-PDOICOKGSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1C	ZINC001182645648	962398677	/nfs/dbraw/zinc/39/86/77/962398677.db2.gz	XBZNNVKULKUINI-OAFZBRQQSA-N	1	0	351.491	1.165	20	30		FDEDRO
CC1(C#N)CCC([N@@H+]2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)CC1	ZINC001173596281	962473114	/nfs/dbraw/zinc/47/31/14/962473114.db2.gz	QJVHLUPWTIDGBC-LYBXBRPPSA-N	1	0	371.485	1.857	20	30		FDEDRO
CCN1C[C@@]23C[N@@H+](C4CCC(C)(C#N)CC4)C[C@@H](C[C@@H]2S1(=O)=O)O3	ZINC001173595694	962473457	/nfs/dbraw/zinc/47/34/57/962473457.db2.gz	TYATZLVKSDDSNA-QLOXVCQLSA-N	1	0	353.488	1.336	20	30		FDEDRO
C#CCCC[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC001173690585	962581551	/nfs/dbraw/zinc/58/15/51/962581551.db2.gz	VDFLJRBKAYTGFS-UHFFFAOYSA-N	1	0	351.428	1.751	20	30		FDEDRO
C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)COc2ccc(C#N)cc2)C1	ZINC001182913955	962658401	/nfs/dbraw/zinc/65/84/01/962658401.db2.gz	WVJANRLNXYKSSB-MRXNPFEDSA-N	1	0	353.426	1.354	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1	ZINC000957522106	1013366322	/nfs/dbraw/zinc/36/63/22/1013366322.db2.gz	JGJPVDJGCBKCGD-MBOZVWFJSA-N	1	0	367.493	1.515	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC001183027351	962742634	/nfs/dbraw/zinc/74/26/34/962742634.db2.gz	OCSKFQBDRKUUTE-UHFFFAOYSA-N	1	0	357.454	1.712	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)Nc1ncc(N)cc1I	ZINC001183038597	962751125	/nfs/dbraw/zinc/75/11/25/962751125.db2.gz	BROIGGFXVYJEGP-UHFFFAOYSA-N	1	0	372.210	1.859	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cc(C)sc1C)C2	ZINC001110174006	962948114	/nfs/dbraw/zinc/94/81/14/962948114.db2.gz	IMIFEXAOKLRTLW-SQNIBIBYSA-N	1	0	373.522	1.768	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(NC(=O)NC)cc1)C2	ZINC001110175336	962972875	/nfs/dbraw/zinc/97/28/75/962972875.db2.gz	XWSZSJDTACMGJR-SQNIBIBYSA-N	1	0	372.469	1.976	20	30		FDEDRO
C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc2c(c1)nnn2C	ZINC001110177899	963015270	/nfs/dbraw/zinc/01/52/70/963015270.db2.gz	NHEYYLMKMLYAGK-GJYPPUQNSA-N	1	0	369.469	1.783	20	30		FDEDRO
C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCn1cncn1	ZINC001110181691	963079147	/nfs/dbraw/zinc/07/91/47/963079147.db2.gz	LUGZOYJLTGCJHQ-SQNIBIBYSA-N	1	0	361.490	1.763	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)nn1C)C2	ZINC001110334746	963089856	/nfs/dbraw/zinc/08/98/56/963089856.db2.gz	VVCOMUFCPYLQEI-ZACQAIPSSA-N	1	0	371.485	1.264	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N(CC)CC(=C)C	ZINC001110182916	963096415	/nfs/dbraw/zinc/09/64/15/963096415.db2.gz	FEWTYIXFXFDURQ-MHORFTMASA-N	1	0	363.502	1.724	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=O)Nc1ccon1	ZINC001175366248	963170056	/nfs/dbraw/zinc/17/00/56/963170056.db2.gz	RZLICQGCCKSSHA-KFWWJZLASA-N	1	0	364.446	1.469	20	30		FDEDRO
C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@H](C#N)Cc2ccc(O)cc2)C1	ZINC001183613289	963190300	/nfs/dbraw/zinc/19/03/00/963190300.db2.gz	SNTBDCDERPIQMZ-SJORKVTESA-N	1	0	367.453	1.491	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=O)N1CCC1	ZINC001175663472	963259489	/nfs/dbraw/zinc/25/94/89/963259489.db2.gz	DSXZGMGOHSTEFV-RYRKJORJSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)N1CCCC1	ZINC001175664274	963260886	/nfs/dbraw/zinc/26/08/86/963260886.db2.gz	SLHBQQXYXRTCID-LNLFQRSKSA-N	1	0	365.518	1.855	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+]CC(=O)NCC(=O)NCc1ccccc1	ZINC001183755081	963273589	/nfs/dbraw/zinc/27/35/89/963273589.db2.gz	OKAHCGZBKUJVOD-MRXNPFEDSA-N	1	0	372.469	1.108	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1ccc(Nc2nc(C#N)c(C#N)nc2Cl)cc1	ZINC001175807899	963298700	/nfs/dbraw/zinc/29/87/00/963298700.db2.gz	MVAFEPGJUITROU-UHFFFAOYSA-N	1	0	369.816	1.908	20	30		FDEDRO
C[NH+]1CCC(CO)(NC(=O)[C@@H]2CCCCN2Cc2ccccc2C#N)CC1	ZINC001183838547	963304250	/nfs/dbraw/zinc/30/42/50/963304250.db2.gz	BIHPGOSSAVJCLX-IBGZPJMESA-N	1	0	370.497	1.486	20	30		FDEDRO
N#Cc1ccc(N[C@@H]2CCC[N@@H+](Cc3ccc(S(N)(=O)=O)cc3)C2)nc1	ZINC001183927703	963364898	/nfs/dbraw/zinc/36/48/98/963364898.db2.gz	CAZDYGLGADGIOD-MRXNPFEDSA-N	1	0	371.466	1.677	20	30		FDEDRO
Cn1cnnc1CC1CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1	ZINC001176294402	963403416	/nfs/dbraw/zinc/40/34/16/963403416.db2.gz	FWTGBUPNHUXIHQ-UHFFFAOYSA-N	1	0	352.442	1.258	20	30		FDEDRO
CCOC(=O)C1([C@H](C)[NH2+]C[C@H](O)CC2(C#N)CCOCC2)CCOCC1	ZINC001176659061	963520580	/nfs/dbraw/zinc/52/05/80/963520580.db2.gz	XZYOXUISARBIIR-JKSUJKDBSA-N	1	0	368.474	1.396	20	30		FDEDRO
C=C(CC(=O)OCCCC)C(=O)N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C	ZINC001184307850	963529044	/nfs/dbraw/zinc/52/90/44/963529044.db2.gz	BYLDDNKIBVASMH-DLBZAZTESA-N	1	0	351.491	1.513	20	30		FDEDRO
CC[NH+]1CCC(N(C)C(=O)[C@@H]2CN(c3cccc(C#N)c3)C(=O)O2)CC1	ZINC001184380948	963566459	/nfs/dbraw/zinc/56/64/59/963566459.db2.gz	QGZNJONMLGXCEA-KRWDZBQOSA-N	1	0	356.426	1.826	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1	ZINC001184398083	963579913	/nfs/dbraw/zinc/57/99/13/963579913.db2.gz	ZLPIRJCLTNWFLB-MJQMVNBJSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CC[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO)c1ccccc1	ZINC001110201712	963722710	/nfs/dbraw/zinc/72/27/10/963722710.db2.gz	PUQCONMDSAOXSS-WOZUAGRISA-N	1	0	370.493	1.914	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)C(=O)NCc2cc(C#N)ccc2F)CCCCC1	ZINC000774813683	963796677	/nfs/dbraw/zinc/79/66/77/963796677.db2.gz	FTZKGNAYFBNTPP-UHFFFAOYSA-N	1	0	360.433	1.694	20	30		FDEDRO
Cc1nnc(CC(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)[nH]1	ZINC001177442674	963845785	/nfs/dbraw/zinc/84/57/85/963845785.db2.gz	HYJQGURPCRDQIT-QAQDUYKDSA-N	1	0	352.442	1.826	20	30		FDEDRO
C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@H](C#N)Cc2cccs2)C1	ZINC001177907867	964017325	/nfs/dbraw/zinc/01/73/25/964017325.db2.gz	GGXBGHHCNVKZCJ-CABCVRRESA-N	1	0	357.483	1.847	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+][C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)c1	ZINC001185783710	964100096	/nfs/dbraw/zinc/10/00/96/964100096.db2.gz	CXIQSPHBYXSQOK-MKXGPGLRSA-N	1	0	367.449	1.364	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccnc2)C1	ZINC001185797266	964109697	/nfs/dbraw/zinc/10/96/97/964109697.db2.gz	FPQNQDXRJDCAJA-FGTMMUONSA-N	1	0	369.469	1.138	20	30		FDEDRO
C=CCCC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@]34C[C@H]3COC4)C2)nn1	ZINC001185953864	964213350	/nfs/dbraw/zinc/21/33/50/964213350.db2.gz	HTICVWJKPZPHMC-IEZWGBDMSA-N	1	0	359.474	1.534	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCCCCCC[NH2+][C@H](C)c1nnnn1C	ZINC001178509011	964261531	/nfs/dbraw/zinc/26/15/31/964261531.db2.gz	BUXINWSALCVVFU-OAGGEKHMSA-N	1	0	364.494	1.519	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCCCCCC[NH2+]CC(=O)NC1CC1	ZINC001178508979	964261979	/nfs/dbraw/zinc/26/19/79/964261979.db2.gz	AJJQMDIJUUBSRI-SJORKVTESA-N	1	0	351.491	1.512	20	30		FDEDRO
C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCCCCCNCC#N)CC1	ZINC001178513221	964263548	/nfs/dbraw/zinc/26/35/48/964263548.db2.gz	AIWSGSMQBGDQDN-MSOLQXFVSA-N	1	0	350.507	1.523	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CNC(C)=O)C1	ZINC001186155517	964326537	/nfs/dbraw/zinc/32/65/37/964326537.db2.gz	GHVIOPBQNLQCCI-IEBWSBKVSA-N	1	0	359.445	1.507	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCOCC(F)(F)F)C1	ZINC001186250349	964371957	/nfs/dbraw/zinc/37/19/57/964371957.db2.gz	RRUSHHRLHTUUER-RDBSUJKOSA-N	1	0	350.381	1.737	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)CC12CCOCC2	ZINC001186381113	964486559	/nfs/dbraw/zinc/48/65/59/964486559.db2.gz	GJIYCXIWBNNZEO-DAYGRLMNSA-N	1	0	354.878	1.620	20	30		FDEDRO
C[C@H]1[C@@H]([NH2+]CC#Cc2ccc(F)cc2)CCN1C(=O)[C@H]1OCCO[C@H]1C	ZINC001178925427	964537779	/nfs/dbraw/zinc/53/77/79/964537779.db2.gz	HKPNMRCAXMSWGS-LNMJFAINSA-N	1	0	360.429	1.560	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3ccco3)[C@@H]2C1	ZINC001186826207	964785661	/nfs/dbraw/zinc/78/56/61/964785661.db2.gz	JWTAPJKORLZBES-PKOBYXMFSA-N	1	0	371.481	1.946	20	30		FDEDRO
CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1	ZINC001179434073	964861670	/nfs/dbraw/zinc/86/16/70/964861670.db2.gz	WWSIUYGZFCVPJZ-WKILWMFISA-N	1	0	359.455	1.524	20	30		FDEDRO
CCOc1cccc(CN2C[C@@H]3CCN(C(=O)CSCC#N)[C@@H]3C2)n1	ZINC001186916935	964875100	/nfs/dbraw/zinc/87/51/00/964875100.db2.gz	BEPRWRTZXHLWMU-GOEBONIOSA-N	1	0	360.483	1.770	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCOCC(F)(F)F)[C@@H]1C	ZINC001179561766	964900260	/nfs/dbraw/zinc/90/02/60/964900260.db2.gz	PDYNYQNBLHBPGO-CRWXNKLISA-N	1	0	350.381	1.735	20	30		FDEDRO
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH+](C2CCOCC2)CC1	ZINC001179584109	964932183	/nfs/dbraw/zinc/93/21/83/964932183.db2.gz	VNDAZHWSPZJKBB-INIZCTEOSA-N	1	0	365.474	1.226	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+]CC(=O)N[C@H](C)CC	ZINC001179633319	964940569	/nfs/dbraw/zinc/94/05/69/964940569.db2.gz	BRXLGLDSKQFJRX-ZACQAIPSSA-N	1	0	353.507	1.758	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+]CC(=O)N[C@@H](C)C1CC1	ZINC001179637885	964941660	/nfs/dbraw/zinc/94/16/60/964941660.db2.gz	BWEIFONWQAOLJI-JQHSSLGASA-N	1	0	365.518	1.758	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+]CC(=O)N(CC)C1CC1	ZINC001179638215	964942089	/nfs/dbraw/zinc/94/20/89/964942089.db2.gz	OGHDUAQADRRSMZ-MSOLQXFVSA-N	1	0	365.518	1.855	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC000957591734	1013556805	/nfs/dbraw/zinc/55/68/05/1013556805.db2.gz	SHWOFCMKLSYVPO-CZUORRHYSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=CCOc1cccnc1C(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1	ZINC000775114385	965261114	/nfs/dbraw/zinc/26/11/14/965261114.db2.gz	WIBNEOXLGJHOLO-UHFFFAOYSA-N	1	0	359.426	1.546	20	30		FDEDRO
COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1C[C@@H](F)C[C@H]1C#N	ZINC001180407363	965311235	/nfs/dbraw/zinc/31/12/35/965311235.db2.gz	UGOJKTGZPWXWPV-LUKYLMHMSA-N	1	0	359.401	1.370	20	30		FDEDRO
C=CCSCC(=O)N(c1ccc(C)nn1)[C@@H]1CO[C@]2(C1)CCC[NH2+]C2	ZINC001180559583	965400371	/nfs/dbraw/zinc/40/03/71/965400371.db2.gz	UUENVJMFEAIZEO-YJBOKZPZSA-N	1	0	362.499	1.948	20	30		FDEDRO
N#Cc1cc(F)c(NC(=O)CC[NH+]2CCC(C(N)=O)CC2)c(Cl)c1	ZINC001180614083	965410813	/nfs/dbraw/zinc/41/08/13/965410813.db2.gz	SZOFBBREZVUPQR-UHFFFAOYSA-N	1	0	352.797	1.877	20	30		FDEDRO
N#Cc1ncc(NC(=O)CC[NH+]2CCC(C(N)=O)CC2)cc1C(F)(F)F	ZINC001180607633	965438492	/nfs/dbraw/zinc/43/84/92/965438492.db2.gz	VNDIXHYBLYKOLG-UHFFFAOYSA-N	1	0	369.347	1.498	20	30		FDEDRO
C[C@@H](C(=O)N1CCC[C@@]2(C1)COCCN(c1cccc(C#N)n1)C2)[NH+](C)C	ZINC001180861041	965656633	/nfs/dbraw/zinc/65/66/33/965656633.db2.gz	ORADRGVVWLFVDM-OXJNMPFZSA-N	1	0	371.485	1.349	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccnc(N(C)C)c3)C[C@H]21	ZINC001187755265	965717052	/nfs/dbraw/zinc/71/70/52/965717052.db2.gz	LCXCWJBHNQZPMP-SQGPQFPESA-N	1	0	358.486	1.507	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CC[C@H]2CN(Cc3cn(C)nc3C(F)F)C[C@H]21	ZINC001187763268	965728272	/nfs/dbraw/zinc/72/82/72/965728272.db2.gz	NYLRKKKAKYTKIT-WPKBUWHJSA-N	1	0	368.428	1.718	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CC[C@H]2C[N@@H+](CCn3c(C)csc3=O)C[C@H]21	ZINC001187763859	965730667	/nfs/dbraw/zinc/73/06/67/965730667.db2.gz	VEPVSDFLSFRHBS-HDMKZQKVSA-N	1	0	365.499	1.078	20	30		FDEDRO
CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C#CC(C)(C)C)[C@@H]2C1	ZINC001187857494	965797866	/nfs/dbraw/zinc/79/78/66/965797866.db2.gz	NPCWCRIYUSTKSS-OKZBNKHCSA-N	1	0	350.503	1.602	20	30		FDEDRO
C[C@@H](CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21)NC(N)=O	ZINC001187912087	965861189	/nfs/dbraw/zinc/86/11/89/965861189.db2.gz	SSARYEZLGFMOBS-RRQGHBQHSA-N	1	0	355.442	1.038	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@H+](Cc3cc(=O)n4nccc4[nH]3)C[C@H]21	ZINC001188056775	965964149	/nfs/dbraw/zinc/96/41/49/965964149.db2.gz	AULGHIPNJFONQY-GOEBONIOSA-N	1	0	369.469	1.658	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]21)OCC	ZINC001188095697	966006712	/nfs/dbraw/zinc/00/67/12/966006712.db2.gz	QFQMMUDHTSGSOY-KSZLIROESA-N	1	0	363.502	1.513	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(=O)[nH]c(C4CC4)c3)[C@@H]2C1	ZINC001188172783	966073841	/nfs/dbraw/zinc/07/38/41/966073841.db2.gz	AFBPMFKNTDKWCH-MAUKXSAKSA-N	1	0	355.438	1.461	20	30		FDEDRO
CCCCCCCCOCC(=O)N1CC[C@H]2C[N@H+](C[C@@H](O)COC)C[C@H]21	ZINC001188225984	966136081	/nfs/dbraw/zinc/13/60/81/966136081.db2.gz	ANYXRWLRRPSOSK-IPMKNSEASA-N	1	0	370.534	1.904	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccn(CC(F)F)n3)[C@@H]2C1	ZINC001188278397	966182270	/nfs/dbraw/zinc/18/22/70/966182270.db2.gz	NMVLXSBILBXMDO-DZGCQCFKSA-N	1	0	354.401	1.497	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC(C)C)n3ccnc3)[C@@H]2C1	ZINC001188285138	966187986	/nfs/dbraw/zinc/18/79/86/966187986.db2.gz	HVXAFHZMECTTBC-GBESFXJTSA-N	1	0	358.486	1.653	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(C(N)=O)nc3)[C@@H]2C1	ZINC001188336700	966214650	/nfs/dbraw/zinc/21/46/50/966214650.db2.gz	OAQQUADEORBYSC-QILLFSRXSA-N	1	0	356.470	1.610	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)c3cnc4ccc(OC)nn43)[C@@H]2C1	ZINC001188369284	966239622	/nfs/dbraw/zinc/23/96/22/966239622.db2.gz	HQYLHVLUXNMTHV-GOEBONIOSA-N	1	0	355.442	1.850	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(C)cc3)[C@@H]2C1	ZINC001188476910	966349176	/nfs/dbraw/zinc/34/91/76/966349176.db2.gz	VFFDJNJVPCFWBC-NZSAHSFTSA-N	1	0	355.482	1.761	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc4n[nH]cc4c3)[C@@H]2C1	ZINC001188536269	966408419	/nfs/dbraw/zinc/40/84/19/966408419.db2.gz	VOYZPRNKRTZBFD-QFBILLFUSA-N	1	0	354.454	1.841	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4ccnc4)cc3)[C@@H]2C1	ZINC001188698060	966504207	/nfs/dbraw/zinc/50/42/07/966504207.db2.gz	LZRGNTRWTZVMPY-AZUAARDMSA-N	1	0	364.449	1.668	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc4[nH]ncc43)[C@@H]2C1	ZINC001188738176	966546766	/nfs/dbraw/zinc/54/67/66/966546766.db2.gz	DPTJFVDHRNTKGL-SUNYJGFJSA-N	1	0	367.453	1.400	20	30		FDEDRO
COc1ccccc1CNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C#N)C2	ZINC001110401839	966557130	/nfs/dbraw/zinc/55/71/30/966557130.db2.gz	PIVYGBAWJMAGMM-SVGFKBNWSA-N	1	0	370.453	1.193	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]21	ZINC001188884250	966614653	/nfs/dbraw/zinc/61/46/53/966614653.db2.gz	DRFXIUWVOJKGHA-BPQIPLTHSA-N	1	0	368.543	1.946	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@H+](CCCNS(=O)(=O)CC)C[C@H]21	ZINC001188909570	966650438	/nfs/dbraw/zinc/65/04/38/966650438.db2.gz	VTOIPADXKSRTEW-YESZJQIVSA-N	1	0	371.547	1.451	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)C3CCN(CC(F)F)CC3)[C@@H]2C1	ZINC001188942524	966657598	/nfs/dbraw/zinc/65/75/98/966657598.db2.gz	TYVBKGSWUURWGZ-DLBZAZTESA-N	1	0	371.472	1.699	20	30		FDEDRO
C=CCCCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]21	ZINC001189006783	966696714	/nfs/dbraw/zinc/69/67/14/966696714.db2.gz	IMMDOZXPZXYYQA-RRFJBIMHSA-N	1	0	364.408	1.815	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccnc(-n4cccn4)c3)[C@@H]2C1	ZINC001189110480	966741349	/nfs/dbraw/zinc/74/13/49/966741349.db2.gz	PKWPSIIEUIQFJL-ZWKOTPCHSA-N	1	0	367.453	1.616	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCOCC(F)(F)F)C[C@H]21	ZINC001189174131	966831616	/nfs/dbraw/zinc/83/16/16/966831616.db2.gz	CPAYDYZAPKPEFF-YJNKXOJESA-N	1	0	362.392	1.689	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4cccc(OC)c43)[C@@H]2C1	ZINC001189350476	966937254	/nfs/dbraw/zinc/93/72/54/966937254.db2.gz	KKNLLYPSXZBISV-IPMKNSEASA-N	1	0	368.477	1.908	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(N2CCOCC2)cc1	ZINC000775256244	966984670	/nfs/dbraw/zinc/98/46/70/966984670.db2.gz	XKTNZSKHTTXYEN-QRWLVFNGSA-N	1	0	356.470	1.982	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCCc3cccnc3)[C@@H]2C1	ZINC001189561231	967047492	/nfs/dbraw/zinc/04/74/92/967047492.db2.gz	OZQONXZUGSNGKB-YTQUADARSA-N	1	0	370.497	1.628	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C)nc4c3cnn4C)[C@@H]2C1	ZINC001189537605	967059814	/nfs/dbraw/zinc/05/98/14/967059814.db2.gz	KFRRDIBIYVONQL-MAUKXSAKSA-N	1	0	369.469	1.626	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)CN1C(=O)c2ccc(C)cc2C1=O	ZINC000121369931	967175665	/nfs/dbraw/zinc/17/56/65/967175665.db2.gz	SDKYJESYZAHWLE-OAHLLOKOSA-N	1	0	356.422	1.868	20	30		FDEDRO
C=CC[N@@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)[C@H](C)COC	ZINC000852356803	967247928	/nfs/dbraw/zinc/24/79/28/967247928.db2.gz	OSKPEDUUHCRYJD-CQSZACIVSA-N	1	0	366.462	1.185	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)nc1	ZINC000964546442	1013711461	/nfs/dbraw/zinc/71/14/61/1013711461.db2.gz	NQYYFLCJPZMNEK-KBAYOESNSA-N	1	0	368.481	1.514	20	30		FDEDRO
N#C[C@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)CCN1C1CC1	ZINC000852703524	967546123	/nfs/dbraw/zinc/54/61/23/967546123.db2.gz	QAFRDHMOCMESQU-MOPGFXCFSA-N	1	0	353.470	1.643	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(Cc2nc3ccccc3c(=O)n2CC#N)CCO1	ZINC000852760404	967586824	/nfs/dbraw/zinc/58/68/24/967586824.db2.gz	FKZBCTOSINYFKS-INIZCTEOSA-N	1	0	369.469	1.463	20	30		FDEDRO
CC(=O)NCc1ccc(-c2csc(NC(=O)C#CC3CC[NH2+]CC3)n2)o1	ZINC000852807593	967622178	/nfs/dbraw/zinc/62/21/78/967622178.db2.gz	WCJUNZFPWCJDJT-UHFFFAOYSA-N	1	0	372.450	1.981	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NC1CCN(C(=O)c2ccccc2F)CC1	ZINC000852809465	967622975	/nfs/dbraw/zinc/62/29/75/967622975.db2.gz	FSYGHNNBOKWERM-UHFFFAOYSA-N	1	0	357.429	1.550	20	30		FDEDRO
CCOC(=O)C[C@H](NC(=O)C#CC1CC[NH2+]CC1)c1cccc(OC)c1	ZINC000852818278	967630719	/nfs/dbraw/zinc/63/07/19/967630719.db2.gz	SEZQXOACPBWCKU-SFHVURJKSA-N	1	0	358.438	1.809	20	30		FDEDRO
CCOc1ccc(C[C@H](CNC(=O)C#CC2CC[NH2+]CC2)C(=O)OC)cc1	ZINC000852822327	967633411	/nfs/dbraw/zinc/63/34/11/967633411.db2.gz	OTJOIFUAXAJIGX-GOSISDBHSA-N	1	0	372.465	1.536	20	30		FDEDRO
CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C#CC2CC[NH2+]CC2)cc1	ZINC000852848363	967654264	/nfs/dbraw/zinc/65/42/64/967654264.db2.gz	IECOUBWMAUPGHV-AWEZNQCLSA-N	1	0	371.437	1.310	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N[C@H](C(=O)Nc1cc[nH]n1)c1ccccc1	ZINC000852866093	967671580	/nfs/dbraw/zinc/67/15/80/967671580.db2.gz	FGTNDZAZSFFBBS-SFHVURJKSA-N	1	0	351.410	1.209	20	30		FDEDRO
COc1ccc(CN2CCCN(C(=O)C#CC3CC[NH2+]CC3)CC2)cc1	ZINC000852883549	967688133	/nfs/dbraw/zinc/68/81/33/967688133.db2.gz	YXUBNTWEILLZIL-UHFFFAOYSA-N	1	0	355.482	1.733	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c(C)n[nH]c3C)[C@@H]2C1	ZINC001190240726	967688441	/nfs/dbraw/zinc/68/84/41/967688441.db2.gz	NTDRVLONIJYUEM-DKSSEZFCSA-N	1	0	360.502	1.940	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCn2c(Cc3cccc(F)c3)nnc2C1	ZINC000852896032	967694214	/nfs/dbraw/zinc/69/42/14/967694214.db2.gz	QEXYHBZWFNGCAJ-UHFFFAOYSA-N	1	0	367.428	1.353	20	30		FDEDRO
Cn1cc(CC[N@@H+]2C[C@@H]3CCN(C(=O)CC#Cc4ccccc4)[C@@H]3C2)cn1	ZINC001190290627	967740980	/nfs/dbraw/zinc/74/09/80/967740980.db2.gz	OPKMMDRXYKOBAK-LEWJYISDSA-N	1	0	362.477	1.937	20	30		FDEDRO
CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CC#Cc4ccccc4)[C@@H]3C2)C1=O	ZINC001190291155	967742625	/nfs/dbraw/zinc/74/26/25/967742625.db2.gz	UNWZMWFPBKVZHU-XUVXKRRUSA-N	1	0	365.477	1.582	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(C(N)=O)cc3)[C@@H]2C1	ZINC001190400765	967795261	/nfs/dbraw/zinc/79/52/61/967795261.db2.gz	JOACQAKCILVAGO-ZWKOTPCHSA-N	1	0	357.454	1.063	20	30		FDEDRO
C#CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C(=O)N1CCN(C(=O)OCC)CC1	ZINC000853076142	967811931	/nfs/dbraw/zinc/81/19/31/967811931.db2.gz	IBZPKRILUYMXDB-PKOBYXMFSA-N	1	0	371.481	1.900	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](OC)c3ccc(F)cc3)[C@@H]2C1	ZINC001190410110	967824808	/nfs/dbraw/zinc/82/48/08/967824808.db2.gz	VBCBJINQGRYNQP-UHOSZYNNSA-N	1	0	360.429	1.696	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C(=O)NC)cc3)C[C@H]21	ZINC001190425105	967838061	/nfs/dbraw/zinc/83/80/61/967838061.db2.gz	LOAWOKVJPMQJLT-RBUKOAKNSA-N	1	0	371.481	1.672	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc4c(c3)nnn4C)C[C@H]21	ZINC001190425217	967840591	/nfs/dbraw/zinc/84/05/91/967840591.db2.gz	ROOHYDPRIKUCLN-QFBILLFUSA-N	1	0	369.469	1.594	20	30		FDEDRO
C#CCNC(=O)c1ccc(NC[C@@H](C(CC)CC)[NH+]2CCOCC2)nc1	ZINC000853134166	967850923	/nfs/dbraw/zinc/85/09/23/967850923.db2.gz	JZMRAAJRKCYAHT-SFHVURJKSA-N	1	0	358.486	1.994	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]21	ZINC001190449887	967876138	/nfs/dbraw/zinc/87/61/38/967876138.db2.gz	IKPNPOOAUSAEPL-OKZBNKHCSA-N	1	0	365.518	1.756	20	30		FDEDRO
C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCCC[NH+]1CCOCC1	ZINC000853369820	967988833	/nfs/dbraw/zinc/98/88/33/967988833.db2.gz	UOSFAQRQRWPDIC-UHFFFAOYSA-N	1	0	353.463	1.085	20	30		FDEDRO
Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@@H](N2CCOC2=O)C1	ZINC000853540804	968097640	/nfs/dbraw/zinc/09/76/40/968097640.db2.gz	NYERFFPCUNEARB-MRXNPFEDSA-N	1	0	352.398	1.609	20	30		FDEDRO
C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2CC[C@H](COCCOC)C2)c1	ZINC001191297210	968405188	/nfs/dbraw/zinc/40/51/88/968405188.db2.gz	BFYYGSQJSZEYGL-INIZCTEOSA-N	1	0	359.426	1.301	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC1CCCC1)C2	ZINC001110678266	968569563	/nfs/dbraw/zinc/56/95/63/968569563.db2.gz	QENHCVWAGKBKJA-DDBAPUKQSA-N	1	0	363.502	1.605	20	30		FDEDRO
C#CCN(CC(=O)OC(C)(C)C)C(=O)NCC1(SC)CC[NH+](C)CC1	ZINC000854080895	968577562	/nfs/dbraw/zinc/57/75/62/968577562.db2.gz	YPZZMGJZYLMLOQ-UHFFFAOYSA-N	1	0	369.531	1.800	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1O	ZINC001191622075	968627150	/nfs/dbraw/zinc/62/71/50/968627150.db2.gz	BNLKCEYZXTXKCI-NIKGAXFTSA-N	1	0	357.454	1.810	20	30		FDEDRO
C#C[C@H](NC(=O)Nc1ccccc1C(=O)N1CCN(C)CC1)[C@@H]1CCCO1	ZINC000775474483	968720816	/nfs/dbraw/zinc/72/08/16/968720816.db2.gz	PBVFRAXLHGAXHQ-WMZOPIPTSA-N	1	0	370.453	1.377	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H](CNc2ccncc2C#N)C2CCCC2)CC[N@@H+]1C	ZINC001110683532	968831531	/nfs/dbraw/zinc/83/15/31/968831531.db2.gz	FSEYXSYLTGEAJA-BJZITVGISA-N	1	0	355.486	1.802	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1CN(Cc2cccc(Br)c2)C[C@H]1O	ZINC001192518500	969151574	/nfs/dbraw/zinc/15/15/74/969151574.db2.gz	UXFBVMMXQYMXIY-HZPDHXFCSA-N	1	0	365.271	1.914	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)C[C@H]1O	ZINC001192523998	969153278	/nfs/dbraw/zinc/15/32/78/969153278.db2.gz	CVWISJMYPWTKCO-QWFCFKBJSA-N	1	0	355.438	1.223	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCOc2cc(C)ccc2C)C[C@H]1O	ZINC001192547871	969157651	/nfs/dbraw/zinc/15/76/51/969157651.db2.gz	VTLSIMIKVLFNHR-HLIPFELVSA-N	1	0	362.470	1.171	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCc2ccc(Cl)cc2)C[C@H]1O	ZINC001192529903	969174767	/nfs/dbraw/zinc/17/47/67/969174767.db2.gz	IKUDRHWOAVHALB-JFIYKMOQSA-N	1	0	352.862	1.371	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2ccc3ccccc3c2)C[C@H]1O	ZINC001192540366	969180355	/nfs/dbraw/zinc/18/03/55/969180355.db2.gz	OQRXMWCPEJXTSV-SFHLNBCPSA-N	1	0	354.450	1.828	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCCCOc2ccccc2)C[C@H]1O	ZINC001192540463	969181190	/nfs/dbraw/zinc/18/11/90/969181190.db2.gz	QAUWEJNKMIMFEO-QWFCFKBJSA-N	1	0	362.470	1.334	20	30		FDEDRO
N#Cc1ccc(C(=O)N(Cc2ncn3c2C[NH2+]CCC3)c2ncccn2)o1	ZINC001192674698	969225504	/nfs/dbraw/zinc/22/55/04/969225504.db2.gz	BOZBGDTWQQJSMD-UHFFFAOYSA-N	1	0	363.381	1.478	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]cc2-c2cnn(C)c2)C1	ZINC001192932628	969387932	/nfs/dbraw/zinc/38/79/32/969387932.db2.gz	ZBQAEJKSDFJUGV-FSPWUOQZSA-N	1	0	357.458	1.545	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]cc2-c2cnn(C)c2)C1	ZINC001192932231	969388396	/nfs/dbraw/zinc/38/83/96/969388396.db2.gz	STNSQOUGMVGPKK-RTBURBONSA-N	1	0	371.485	1.937	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]nc3c2CCCC3)C1	ZINC001192977721	969415305	/nfs/dbraw/zinc/41/53/05/969415305.db2.gz	JLIQDTSJGMKNAB-RTBURBONSA-N	1	0	360.502	1.739	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(F)(F)F)CCOCC2)C1	ZINC001193102126	969469411	/nfs/dbraw/zinc/46/94/11/969469411.db2.gz	DMOJXXREGNBIOB-BFHYXJOUSA-N	1	0	364.408	1.862	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(F)ccc3ccncc32)C1	ZINC001193103286	969470653	/nfs/dbraw/zinc/47/06/53/969470653.db2.gz	WXDOHMSVTNAZDW-IAGOWNOFSA-N	1	0	359.401	1.351	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)NCCC[N@H+](C)CCCNC(=O)OC(C)(C)C	ZINC001193173475	969501872	/nfs/dbraw/zinc/50/18/72/969501872.db2.gz	OJUVDTQVIARUDM-ZDUSSCGKSA-N	1	0	362.496	1.055	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)C1	ZINC001193183423	969556499	/nfs/dbraw/zinc/55/64/99/969556499.db2.gz	YNYDEEIEYYGVIJ-HUUCEWRRSA-N	1	0	366.510	1.102	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3c(C)cccc3C)C[C@H]2O)CCOCC1	ZINC001193628826	969775671	/nfs/dbraw/zinc/77/56/71/969775671.db2.gz	FHYNHVOEOHRXPD-WOJBJXKFSA-N	1	0	370.493	1.785	20	30		FDEDRO
COc1ccc(C#N)c(S(=O)(=O)NCC2CC[NH+](C(C)C)CC2)c1	ZINC001193696956	969826527	/nfs/dbraw/zinc/82/65/27/969826527.db2.gz	PCOVPUDYDBMYMJ-UHFFFAOYSA-N	1	0	351.472	1.966	20	30		FDEDRO
COc1ccc(C#N)c(S(=O)(=O)NCCCC2CC[NH+](C)CC2)c1	ZINC001193705611	969832436	/nfs/dbraw/zinc/83/24/36/969832436.db2.gz	HVIVGLANGUOEBC-UHFFFAOYSA-N	1	0	351.472	1.967	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1	ZINC001193875511	969890824	/nfs/dbraw/zinc/89/08/24/969890824.db2.gz	YUSIIXLBFBFMPL-JOCBIADPSA-N	1	0	362.474	1.108	20	30		FDEDRO
C[NH+](C)CCOCc1ncn2c1CN(C(=O)c1cncc(C#N)c1)CCC2	ZINC001194108472	969995306	/nfs/dbraw/zinc/99/53/06/969995306.db2.gz	QAOQECPMBUYBJH-UHFFFAOYSA-N	1	0	368.441	1.274	20	30		FDEDRO
COc1cc(C)nc(N(C(=O)c2cncc(C#N)c2)C2CC[NH2+]CC2)n1	ZINC001194112820	969998182	/nfs/dbraw/zinc/99/81/82/969998182.db2.gz	CPYFTBXNRWAJSY-UHFFFAOYSA-N	1	0	352.398	1.459	20	30		FDEDRO
CC[C@H](C(=O)N[C@@H]1CN(CC#Cc2cccc(Cl)c2)C[C@H]1O)[NH+](C)C	ZINC001194095748	970014444	/nfs/dbraw/zinc/01/44/44/970014444.db2.gz	OESHHMHUZVDVFL-KZNAEPCWSA-N	1	0	363.889	1.193	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cccnc2Br)c1C#N	ZINC000775602922	970097517	/nfs/dbraw/zinc/09/75/17/970097517.db2.gz	DMXHXYNDSHWKMH-UHFFFAOYSA-N	1	0	363.219	1.843	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)ncn2)C1	ZINC001194638651	970282521	/nfs/dbraw/zinc/28/25/21/970282521.db2.gz	OYTWOQZLNLMUNU-RAIGVLPGSA-N	1	0	358.364	1.625	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)c(OC)co2)C1	ZINC001194672558	970310356	/nfs/dbraw/zinc/31/03/56/970310356.db2.gz	DHHPJJWBEGAYRK-UKRRQHHQSA-N	1	0	350.415	1.170	20	30		FDEDRO
COC(=O)N1CCC([C@H](C)[NH2+][C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1	ZINC000776808792	970325161	/nfs/dbraw/zinc/32/51/61/970325161.db2.gz	VKPPDHWGTGLWOU-IYOUNJFTSA-N	1	0	352.479	1.886	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCC(C)C	ZINC001110464115	970574848	/nfs/dbraw/zinc/57/48/48/970574848.db2.gz	JBQOCVMOCAFKKX-MKXGPGLRSA-N	1	0	350.503	1.935	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](OC)c2cnn(C)c2)C1	ZINC001195031249	970623910	/nfs/dbraw/zinc/62/39/10/970623910.db2.gz	ZHJMJBNUJRDRJV-ZACQAIPSSA-N	1	0	352.479	1.239	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C(C)(C)C3CC3)C[C@H]2C)CC1	ZINC000957927568	1014026068	/nfs/dbraw/zinc/02/60/68/1014026068.db2.gz	XVDINHKMJLVSBK-CRAIPNDOSA-N	1	0	359.514	1.731	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)NC[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1	ZINC000855883381	970741613	/nfs/dbraw/zinc/74/16/13/970741613.db2.gz	IOVVOMCLLSMGBR-CQSZACIVSA-N	1	0	353.463	1.389	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C1	ZINC001195171750	970748044	/nfs/dbraw/zinc/74/80/44/970748044.db2.gz	AJIIVGJBUKBKCA-BZUAXINKSA-N	1	0	355.523	1.669	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3c2nc(C)cc3C)C1	ZINC001195198733	970762768	/nfs/dbraw/zinc/76/27/68/970762768.db2.gz	ZBMNUZYEQAWWFO-KBRIMQKVSA-N	1	0	357.458	1.476	20	30		FDEDRO
CCCC[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC001114326989	972643592	/nfs/dbraw/zinc/64/35/92/972643592.db2.gz	GNKQWMQOJLPIEZ-IJEWVQPXSA-N	1	0	360.462	1.154	20	30		FDEDRO
CCCCCCCCC(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1O	ZINC001198080798	972735032	/nfs/dbraw/zinc/73/50/32/972735032.db2.gz	IRWMFJBIWGKCMM-QZTJIDSGSA-N	1	0	350.507	1.875	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@H+](CCCCCOC)C[C@H]2O)CCOCC1	ZINC001198239966	972928045	/nfs/dbraw/zinc/92/80/45/972928045.db2.gz	XUNHNXDJXDCCGF-IAGOWNOFSA-N	1	0	354.491	1.337	20	30		FDEDRO
N#Cc1ncc(C(F)(F)F)cc1N1CCN(C(=O)N2CC[NH2+]CC2)CC1	ZINC000863477263	972940512	/nfs/dbraw/zinc/94/05/12/972940512.db2.gz	XTPFLPNLNAZBLM-UHFFFAOYSA-N	1	0	368.363	1.119	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1	ZINC000863489171	972950753	/nfs/dbraw/zinc/95/07/53/972950753.db2.gz	AKMVDLWVEAHJGP-UHFFFAOYSA-N	1	0	369.387	1.994	20	30		FDEDRO
CCOC(=O)C1([C@@H](C)[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)CCOCC1	ZINC001198289801	972955314	/nfs/dbraw/zinc/95/53/14/972955314.db2.gz	TXODNFJNYPDGTQ-CJNGLKHVSA-N	1	0	359.426	1.423	20	30		FDEDRO
Cc1nccn1-c1ncccc1C[NH2+]C[C@@H](O)COc1ccccc1C#N	ZINC000863551831	973008809	/nfs/dbraw/zinc/00/88/09/973008809.db2.gz	ROGJXMSUJBODMK-GOSISDBHSA-N	1	0	363.421	1.977	20	30		FDEDRO
CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C[C@H](O)CC1(C#N)CCOCC1	ZINC000863551847	973009451	/nfs/dbraw/zinc/00/94/51/973009451.db2.gz	MUJZMBNIKPQVQO-CQSZACIVSA-N	1	0	355.479	1.951	20	30		FDEDRO
CC1CCC2(CC1)OC[C@H](C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)O2	ZINC000863553831	973010905	/nfs/dbraw/zinc/01/09/05/973010905.db2.gz	KVSINVOSEWZDDQ-ISXWCOSWSA-N	1	0	352.475	1.969	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CC1	ZINC000863558056	973015760	/nfs/dbraw/zinc/01/57/60/973015760.db2.gz	VHEFBIQCDVMXQD-CQSZACIVSA-N	1	0	351.397	1.946	20	30		FDEDRO
COc1cc(OC)cc([C@H](O)C[NH2+]C[C@@H](O)COc2ccccc2C#N)c1	ZINC000863559160	973016064	/nfs/dbraw/zinc/01/60/64/973016064.db2.gz	IBJRVNKRMWRMGC-VQIMIIECSA-N	1	0	372.421	1.638	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]c3ccccc23)C1	ZINC001198374127	973026397	/nfs/dbraw/zinc/02/63/97/973026397.db2.gz	POHPWAIQSCUKMP-RTBURBONSA-N	1	0	357.454	1.464	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nc(C)[nH]c2=O)C1	ZINC001198614444	973321494	/nfs/dbraw/zinc/32/14/94/973321494.db2.gz	PXVCTFWPDGOMEI-IAGOWNOFSA-N	1	0	364.490	1.473	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(F)cc2OCC#N)C[N@@H+]1C1CC1	ZINC000119966545	973483251	/nfs/dbraw/zinc/48/32/51/973483251.db2.gz	GXIMSCGLPYQYTH-YPMHNXCESA-N	1	0	360.389	1.408	20	30		FDEDRO
C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)c1ccccc1OC	ZINC001198760159	973492578	/nfs/dbraw/zinc/49/25/78/973492578.db2.gz	RYTNPRQNJUWRCH-NUJGCVRESA-N	1	0	352.438	1.992	20	30		FDEDRO
C[C@]1(O)CCC[N@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000794672749	973523691	/nfs/dbraw/zinc/52/36/91/973523691.db2.gz	OWTWIGCIZHFNRA-IBGZPJMESA-N	1	0	356.426	1.517	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2cccc(Cl)c2)C1	ZINC001198835944	973530064	/nfs/dbraw/zinc/53/00/64/973530064.db2.gz	SZHVPXBEBLIQLB-IAOVAPTHSA-N	1	0	352.862	1.807	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccsc2)C1	ZINC001198799799	973542606	/nfs/dbraw/zinc/54/26/06/973542606.db2.gz	RMXHUMOWHXHSPH-HZPDHXFCSA-N	1	0	365.499	1.386	20	30		FDEDRO
C#C[C@@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)c1ccc(F)cc1	ZINC000867293956	973701478	/nfs/dbraw/zinc/70/14/78/973701478.db2.gz	YYQOGIBIKNJPPH-QGZVFWFLSA-N	1	0	353.463	1.057	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2CN([C@H](CCCC)C(N)=O)C[C@H]2O)CCCCC1	ZINC001198949892	973790293	/nfs/dbraw/zinc/79/02/93/973790293.db2.gz	IIJDPXPVKONATF-BRWVUGGUSA-N	1	0	365.518	1.718	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)c2cccc(OC)c2)C1	ZINC001199245967	974066911	/nfs/dbraw/zinc/06/69/11/974066911.db2.gz	QRDRNWXRCFPFTM-KFKAGJAMSA-N	1	0	362.470	1.553	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)C[C@H]1O	ZINC001199314639	974112606	/nfs/dbraw/zinc/11/26/06/974112606.db2.gz	RRYGBPLNHCMJOM-NIKGAXFTSA-N	1	0	355.438	1.487	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)C[C@H]1O	ZINC001199284667	974119621	/nfs/dbraw/zinc/11/96/21/974119621.db2.gz	MZZKMSWEIRVYDZ-RTBURBONSA-N	1	0	355.438	1.489	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1	ZINC000645269267	1014167679	/nfs/dbraw/zinc/16/76/79/1014167679.db2.gz	AOOBPPJPQWTSCN-MRXNPFEDSA-N	1	0	351.491	1.484	20	30		FDEDRO
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)NCCC#N)cc1	ZINC000794819410	974146084	/nfs/dbraw/zinc/14/60/84/974146084.db2.gz	VZPKUABMZCZBHQ-CQSZACIVSA-N	1	0	366.487	1.398	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)[C@]3(C#N)CCCOC3)cc2F)CC1	ZINC000865202346	974182033	/nfs/dbraw/zinc/18/20/33/974182033.db2.gz	QJSOVOWXYSBKFU-FQEVSTJZSA-N	1	0	374.460	1.904	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCCN(C(=O)C#CC3CC3)CC2)CC[N@@H+]1C	ZINC000967564632	1014173367	/nfs/dbraw/zinc/17/33/67/1014173367.db2.gz	ILESTHFGRSZZHY-GBESFXJTSA-N	1	0	359.514	1.970	20	30		FDEDRO
N#Cc1cc(C(F)(F)F)cc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1	ZINC000865509348	974332862	/nfs/dbraw/zinc/33/28/62/974332862.db2.gz	PZHWSCSNHVAIHL-UHFFFAOYSA-N	1	0	367.375	1.716	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nn(C)cc1C)C2	ZINC001110537241	974384044	/nfs/dbraw/zinc/38/40/44/974384044.db2.gz	MGSLYULXPNTJJS-ZACQAIPSSA-N	1	0	371.485	1.264	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(C(F)(F)F)cc(C#N)n2)CC1	ZINC000865618856	974386815	/nfs/dbraw/zinc/38/68/15/974386815.db2.gz	IVEDBNVDFHIXSH-AWEZNQCLSA-N	1	0	367.375	1.715	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2ccc3c(C#N)c[nH]c3c2)CC1	ZINC000865648543	974403732	/nfs/dbraw/zinc/40/37/32/974403732.db2.gz	DRGBPCGSOAJYGJ-UHFFFAOYSA-N	1	0	367.453	1.712	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COc1ccccc1	ZINC001110540274	974460385	/nfs/dbraw/zinc/46/03/85/974460385.db2.gz	LFHQGXOLCSPLFM-LFGUQSLTSA-N	1	0	354.450	1.561	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)Cn2cc(C=O)c(-c3ccccc3)n2)CC1	ZINC000866015795	974623597	/nfs/dbraw/zinc/62/35/97/974623597.db2.gz	SQCSCEDHERJRHX-UHFFFAOYSA-N	1	0	364.449	1.967	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccc2c(c1)CCO2	ZINC001110552385	974756682	/nfs/dbraw/zinc/75/66/82/974756682.db2.gz	WVZTUEDHZFHLHI-XLNTUCKNSA-N	1	0	368.477	1.924	20	30		FDEDRO
C=CCn1cnc2nc(NC(=S)NCC[NH+]3CCCCC3)[nH]c(=O)c21	ZINC001200444800	974770939	/nfs/dbraw/zinc/77/09/39/974770939.db2.gz	PRXZDNXBXQPCHW-UHFFFAOYSA-N	1	0	361.475	1.490	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2sccc2C)CC1	ZINC001200553987	974811342	/nfs/dbraw/zinc/81/13/42/974811342.db2.gz	JPLONPQMJXVLDX-HZPDHXFCSA-N	1	0	359.495	1.490	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2ccncc2)CC1	ZINC001200643973	974867643	/nfs/dbraw/zinc/86/76/43/974867643.db2.gz	HQTLCTSULILBLL-FHLIZLRMSA-N	1	0	356.470	1.456	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@]23CCOc2ccccc23)CCCO1	ZINC001200965478	974938238	/nfs/dbraw/zinc/93/82/38/974938238.db2.gz	DTRSXILKNBIFDG-LZNRXBQRSA-N	1	0	368.477	1.957	20	30		FDEDRO
O=C(CO[C@H]1CCOC1)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#Cc1ccccc1	ZINC001110560100	974952770	/nfs/dbraw/zinc/95/27/70/974952770.db2.gz	XWAZGOXMRHKNFJ-WCIQWLHISA-N	1	0	354.450	1.565	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C)O2)CCCO1	ZINC001201448830	975065150	/nfs/dbraw/zinc/06/51/50/975065150.db2.gz	VWTLBRJOVLTJGI-MGPQQGTHSA-N	1	0	361.280	1.670	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC[N@@H+]1C	ZINC000867395941	975070771	/nfs/dbraw/zinc/07/07/71/975070771.db2.gz	UCSOGHRZXAWNRU-CBBWQLFWSA-N	1	0	350.463	1.592	20	30		FDEDRO
COC(=O)COc1ccc(NC(=O)NCC#CC[NH+](C)C)c2cccnc12	ZINC001201933852	975191029	/nfs/dbraw/zinc/19/10/29/975191029.db2.gz	IOPRTTMTRVOILZ-UHFFFAOYSA-N	1	0	370.409	1.473	20	30		FDEDRO
C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1cccc(C#N)c1[O-]	ZINC000866373991	975579372	/nfs/dbraw/zinc/57/93/72/975579372.db2.gz	YXUGNRFMXCDLGE-MRXNPFEDSA-N	1	0	358.486	1.711	20	30		FDEDRO
N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@]12COCCN1C(=O)COC2	ZINC000866552731	975778494	/nfs/dbraw/zinc/77/84/94/975778494.db2.gz	IQTVZQNOSYJWMV-ICSRJNTNSA-N	1	0	355.438	1.543	20	30		FDEDRO
C#C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)C1	ZINC000847557957	975820991	/nfs/dbraw/zinc/82/09/91/975820991.db2.gz	KZFNCGLJPBPBQF-KRWDZBQOSA-N	1	0	368.481	1.639	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1	ZINC000866665976	975887004	/nfs/dbraw/zinc/88/70/04/975887004.db2.gz	JRLWOXCHHRKZOB-FHWLQOOXSA-N	1	0	357.454	1.991	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12	ZINC000847605958	975900640	/nfs/dbraw/zinc/90/06/40/975900640.db2.gz	LGOBVPNOFXWBEU-WBVHZDCISA-N	1	0	373.428	1.909	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1	ZINC000866774915	976028088	/nfs/dbraw/zinc/02/80/88/976028088.db2.gz	SDYJTRQQSDIAPD-UAGQMJEPSA-N	1	0	367.446	1.747	20	30		FDEDRO
CC[C@H](C#N)Oc1cc(CNS(=O)(=O)CCC[NH+](C)C)ccc1OC	ZINC000866786138	976046238	/nfs/dbraw/zinc/04/62/38/976046238.db2.gz	NWVIOKBBBAKLNK-OAHLLOKOSA-N	1	0	369.487	1.747	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)OCC[C@H]2CC[N@@H+](C)C2)cc1	ZINC000847828341	976075066	/nfs/dbraw/zinc/07/50/66/976075066.db2.gz	ARLWTTXJCZWPMH-CQSZACIVSA-N	1	0	352.456	1.650	20	30		FDEDRO
C#CCCN(CCOC)C(=O)C(=O)N1CCC(CC)([NH+]2CCCC2)CC1	ZINC000867641391	976560113	/nfs/dbraw/zinc/56/01/13/976560113.db2.gz	XJQHOPCIQLPQPH-UHFFFAOYSA-N	1	0	363.502	1.352	20	30		FDEDRO
C[C@@]1(c2ccc(-c3noc([C@H](N)CCCCC#N)n3)cc2)NC(=O)NC1=O	ZINC000848623185	976959028	/nfs/dbraw/zinc/95/90/28/976959028.db2.gz	CDXRDGVBODJRLE-ACJLOTCBSA-N	1	0	368.397	1.875	20	30		FDEDRO
C[C@@]1(c2cccc(-c3noc([C@H](N)CCCCC#N)n3)c2)NC(=O)NC1=O	ZINC000848626987	976960957	/nfs/dbraw/zinc/96/09/57/976960957.db2.gz	VVBYCAQBBSHEQI-ACJLOTCBSA-N	1	0	368.397	1.875	20	30		FDEDRO
CC(C)CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)nc1	ZINC000867864712	977001852	/nfs/dbraw/zinc/00/18/52/977001852.db2.gz	IVPFYOQNKMSPPM-UHFFFAOYSA-N	1	0	350.488	1.942	20	30		FDEDRO
COC(=O)[C@H](NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)C1CCCCC1	ZINC000867927504	977100011	/nfs/dbraw/zinc/10/00/11/977100011.db2.gz	HRAJLAYAJZNPFW-QZTJIDSGSA-N	1	0	355.438	1.983	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000867928131	977101376	/nfs/dbraw/zinc/10/13/76/977101376.db2.gz	WLSQNBNCPUQAGQ-JFIYKMOQSA-N	1	0	354.454	1.508	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCCN1C(=O)Cc2ccccc21	ZINC000867942720	977120315	/nfs/dbraw/zinc/12/03/15/977120315.db2.gz	VILVLMOZAVKRLN-FQEVSTJZSA-N	1	0	360.417	1.451	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCCCNC(=O)c1cccs1	ZINC000867943580	977122103	/nfs/dbraw/zinc/12/21/03/977122103.db2.gz	ZLLCKRLHNWVDSC-KRWDZBQOSA-N	1	0	368.462	1.743	20	30		FDEDRO
CC[C@@H]1CN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)[C@@H](CC)CN1C(C)=O	ZINC000867950566	977131297	/nfs/dbraw/zinc/13/12/97/977131297.db2.gz	DQLVGXWLBSGGLN-WSTZPKSXSA-N	1	0	368.481	1.993	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1	ZINC000867958761	977143251	/nfs/dbraw/zinc/14/32/51/977143251.db2.gz	HCYOVZNHSIUMCJ-XJKSGUPXSA-N	1	0	366.387	1.745	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCCNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C[C@H](C)O1	ZINC000868022174	977207762	/nfs/dbraw/zinc/20/77/62/977207762.db2.gz	AKJQHQXULVKKOF-ZRGWGRIASA-N	1	0	356.470	1.824	20	30		FDEDRO
C[NH+]=C(NCc1ccco1)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	ZINC000849045216	977292807	/nfs/dbraw/zinc/29/28/07/977292807.db2.gz	UUSZVUBACIVKLR-MRXNPFEDSA-N	1	0	369.469	1.847	20	30		FDEDRO
CN(C)C(NCc1ccccc1)=[NH+]CCCn1nc2n(c1=O)CCCC2	ZINC000849069723	977301690	/nfs/dbraw/zinc/30/16/90/977301690.db2.gz	UKLAGJYMYJNOSQ-UHFFFAOYSA-N	1	0	356.474	1.479	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCNc2ccc(C#N)cn2)CC1	ZINC000849071910	977302309	/nfs/dbraw/zinc/30/23/09/977302309.db2.gz	PPFIHEODPBVQOV-UHFFFAOYSA-N	1	0	359.434	1.100	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC([NH+]3CCN(C)CC3)CC2)CC1	ZINC000868221828	977359485	/nfs/dbraw/zinc/35/94/85/977359485.db2.gz	MVJYAYQXCPNSLE-UHFFFAOYSA-N	1	0	363.550	1.448	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@]23OCCC[C@H]2C3(F)F)c1	ZINC000849330643	977430797	/nfs/dbraw/zinc/43/07/97/977430797.db2.gz	YMIDEAWDYIJYBK-CABCVRRESA-N	1	0	356.394	1.736	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)Nc1ccc(OCCCN2CC[NH+](C)CC2)cc1	ZINC000652815134	1014398256	/nfs/dbraw/zinc/39/82/56/1014398256.db2.gz	XFDDRAVSRLCVAZ-FQEVSTJZSA-N	1	0	361.486	1.969	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)C(=O)Nc1cccc3c1CC[NH2+]C3)C2	ZINC000868316070	977492633	/nfs/dbraw/zinc/49/26/33/977492633.db2.gz	DWVXIOJOBSMUPD-QGZVFWFLSA-N	1	0	360.417	1.426	20	30		FDEDRO
C[NH+](C)[C@@]1(CNC(=O)N2CCN(c3ccc(C#N)cc3)CC2)CCSC1	ZINC000868354467	977522939	/nfs/dbraw/zinc/52/29/39/977522939.db2.gz	GHSUMKITVFMQSV-LJQANCHMSA-N	1	0	373.526	1.827	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NCC[N@@H+](C)Cc2ccccc2)c1	ZINC000108611329	977609694	/nfs/dbraw/zinc/60/96/94/977609694.db2.gz	WBRBRVRTCJAZKM-UHFFFAOYSA-N	1	0	365.433	1.885	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N1Cc2ccccc2C2(CC[NH+](C)CC2)C1	ZINC000868481414	977700249	/nfs/dbraw/zinc/70/02/49/977700249.db2.gz	MFAAAFHGKJTACU-UHFFFAOYSA-N	1	0	356.470	1.477	20	30		FDEDRO
Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N(CCC#N)CC(F)(F)F)cn1	ZINC000849550948	977732673	/nfs/dbraw/zinc/73/26/73/977732673.db2.gz	AFTBTJCDVOQYQR-UONOGXRCSA-N	1	0	357.380	1.760	20	30		FDEDRO
COc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)cc1C#N	ZINC000849563690	977756431	/nfs/dbraw/zinc/75/64/31/977756431.db2.gz	MAJZOIOKLMVQFA-ROUUACIJSA-N	1	0	367.453	1.652	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](C(=O)N2CCSC[C@H]2C#N)[C@@H](c2cnn(C)c2)C1	ZINC000849572878	977773693	/nfs/dbraw/zinc/77/36/93/977773693.db2.gz	DUVQNQRTIDGSLK-IXDOHACOSA-N	1	0	361.515	1.702	20	30		FDEDRO
C=CCC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)C(=O)OCC	ZINC000849602828	977827913	/nfs/dbraw/zinc/82/79/13/977827913.db2.gz	RBKOTGLTNUFESZ-ZACQAIPSSA-N	1	0	362.474	1.470	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1	ZINC000850549938	978433007	/nfs/dbraw/zinc/43/30/07/978433007.db2.gz	LSTOFCLMEMFTAL-KGLIPLIRSA-N	1	0	358.442	1.905	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1	ZINC000850549940	978433229	/nfs/dbraw/zinc/43/32/29/978433229.db2.gz	LSTOFCLMEMFTAL-ZIAGYGMSSA-N	1	0	358.442	1.905	20	30		FDEDRO
CCN(C(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N)[C@@H]1CC[N@H+](CC)C1	ZINC000850607826	978478161	/nfs/dbraw/zinc/47/81/61/978478161.db2.gz	RVNOBVIOQKUHBP-LSDHHAIUSA-N	1	0	358.442	1.859	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)cc1	ZINC000850729505	978652361	/nfs/dbraw/zinc/65/23/61/978652361.db2.gz	DJKROGHMAJBNOB-UHFFFAOYSA-N	1	0	369.465	1.875	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC001202480653	978697841	/nfs/dbraw/zinc/69/78/41/978697841.db2.gz	ZEXRKXYDHLVYPB-HYVNUMGLSA-N	1	0	351.491	1.558	20	30		FDEDRO
C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1	ZINC000776522200	978872592	/nfs/dbraw/zinc/87/25/92/978872592.db2.gz	XTUMUYBLDRERIL-ZNMIVQPWSA-N	1	0	365.478	1.339	20	30		FDEDRO
C=C(Br)CNC(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1	ZINC000851656643	978986532	/nfs/dbraw/zinc/98/65/32/978986532.db2.gz	NUPLMAGYRDNHQZ-UHFFFAOYSA-N	1	0	361.284	1.185	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](c3nccs3)C2)CC1	ZINC000880319423	979094422	/nfs/dbraw/zinc/09/44/22/979094422.db2.gz	GGISBAPRKRDAHD-CVEARBPZSA-N	1	0	361.515	1.625	20	30		FDEDRO
COc1cccc2c1CC[C@@]2(CO)[NH2+]CC(=O)NCc1cccc(C#N)c1	ZINC000880379908	979143714	/nfs/dbraw/zinc/14/37/14/979143714.db2.gz	DDLDLJQMGJNEDV-NRFANRHFSA-N	1	0	365.433	1.607	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC(N(CC)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC000968007859	1014553796	/nfs/dbraw/zinc/55/37/96/1014553796.db2.gz	BFKNJACTMJQVPE-RHSMWYFYSA-N	1	0	354.454	1.076	20	30		FDEDRO
CC(C)(C)OCCC[NH+]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1	ZINC000880411911	979170458	/nfs/dbraw/zinc/17/04/58/979170458.db2.gz	KOHBKVPOBLKNOR-IBGZPJMESA-N	1	0	350.507	1.618	20	30		FDEDRO
C#CCC1(O)CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccc(OC)c(OC)c2)CC1	ZINC000880479773	979220658	/nfs/dbraw/zinc/22/06/58/979220658.db2.gz	XVHOHGRYRQQFFQ-INIZCTEOSA-N	1	0	374.481	1.901	20	30		FDEDRO
C#CCC1(O)CC[NH+](C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000880482409	979222623	/nfs/dbraw/zinc/22/26/23/979222623.db2.gz	HVTKMTXPAHBJMO-LJQANCHMSA-N	1	0	352.475	1.599	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)NCC2CC[NH+](CC3CC3)CC2)nc1	ZINC000851982387	979243758	/nfs/dbraw/zinc/24/37/58/979243758.db2.gz	UTMACRRKQNFYTL-UHFFFAOYSA-N	1	0	356.474	1.786	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[NH+]1CCC2(CC1)COCCO2	ZINC000880549044	979291283	/nfs/dbraw/zinc/29/12/83/979291283.db2.gz	LNRNIDAUVWMOOG-UHFFFAOYSA-N	1	0	354.406	1.167	20	30		FDEDRO
CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000852075257	979329839	/nfs/dbraw/zinc/32/98/39/979329839.db2.gz	JOCJGQMXBRBNHL-HOCLYGCPSA-N	1	0	369.358	1.991	20	30		FDEDRO
C#C[C@@](C)(CC)[NH2+]CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O	ZINC000852102624	979350997	/nfs/dbraw/zinc/35/09/97/979350997.db2.gz	ZWRSACPRYWIHGQ-PMACEKPBSA-N	1	0	370.453	1.352	20	30		FDEDRO
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCN([C@@H]3CCOC3)CC2)c1	ZINC000852107840	979354819	/nfs/dbraw/zinc/35/48/19/979354819.db2.gz	XWDSFZAPLOCDGQ-MSOLQXFVSA-N	1	0	372.469	1.984	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2ccc(OCC(F)(F)F)nn2)CC1	ZINC000880667839	979384929	/nfs/dbraw/zinc/38/49/29/979384929.db2.gz	JNYMZOOTZNMRAF-UHFFFAOYSA-N	1	0	356.348	1.379	20	30		FDEDRO
N#Cc1ccc(CCC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1	ZINC000881622148	980016428	/nfs/dbraw/zinc/01/64/28/980016428.db2.gz	LQHMUOWVQSJPPJ-UHFFFAOYSA-N	1	0	368.481	1.823	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000881869237	980234926	/nfs/dbraw/zinc/23/49/26/980234926.db2.gz	VRAOVTKOJBBYJN-LSDHHAIUSA-N	1	0	351.472	1.426	20	30		FDEDRO
C#Cc1ccc(C(=O)N(CC)C2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nc1	ZINC000968192554	1014738692	/nfs/dbraw/zinc/73/86/92/1014738692.db2.gz	SFSJRBARUAWWAH-PKOBYXMFSA-N	1	0	368.481	1.466	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1cc2c(cc1Br)OCO2	ZINC000857721936	981654986	/nfs/dbraw/zinc/65/49/86/981654986.db2.gz	YCIYUTJKWGJHPS-UHFFFAOYSA-N	1	0	353.216	1.863	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COC	ZINC001110727640	981675277	/nfs/dbraw/zinc/67/52/77/981675277.db2.gz	RCYNIAOOPQBQQJ-AHCXZYCDSA-N	1	0	360.454	1.594	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1coc(S(N)(=O)=O)c1)C2	ZINC001110732550	981692184	/nfs/dbraw/zinc/69/21/84/981692184.db2.gz	JZFMWQXEJXGBHG-MYPMTAMASA-N	1	0	367.471	1.617	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCC(NC(=O)c2oc(C)cc2C)CC1	ZINC000857818066	981703553	/nfs/dbraw/zinc/70/35/53/981703553.db2.gz	YDMYJAXNRUWZHJ-UHFFFAOYSA-N	1	0	374.485	1.755	20	30		FDEDRO
N#Cc1c(N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)nc2ccccn12	ZINC000882816599	981709973	/nfs/dbraw/zinc/70/99/73/981709973.db2.gz	QUDQHIFPICUNCU-UHFFFAOYSA-N	1	0	352.442	1.516	20	30		FDEDRO
C=C(C)C[C@@H](CO)NC(=O)c1nnn(-c2cccc3c2CC[N@@H+](C)C3)c1C	ZINC000882894112	981780950	/nfs/dbraw/zinc/78/09/50/981780950.db2.gz	IZCPGJKNPXDPDE-INIZCTEOSA-N	1	0	369.469	1.621	20	30		FDEDRO
C#CC[C@H](CO)[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1	ZINC000883123922	981965271	/nfs/dbraw/zinc/96/52/71/981965271.db2.gz	PIZCODNSVSEOQQ-MRXNPFEDSA-N	1	0	352.862	1.525	20	30		FDEDRO
C#CC[C@H](CO)[NH2+]Cc1ccc(Br)cc1N1CCOCC1	ZINC000883125100	981965495	/nfs/dbraw/zinc/96/54/95/981965495.db2.gz	YVVUKWDPJXVORM-OAHLLOKOSA-N	1	0	353.260	1.760	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3ccccn31)C2	ZINC001110744945	982002709	/nfs/dbraw/zinc/00/27/09/982002709.db2.gz	VQIBWJUOASOZEK-JJXSEGSLSA-N	1	0	367.453	1.360	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(F)cc3ccoc31)C2	ZINC001110746647	982039910	/nfs/dbraw/zinc/03/99/10/982039910.db2.gz	XRIGYCZWXHEHNX-OIISXLGYSA-N	1	0	369.396	1.656	20	30		FDEDRO
C#CCOc1ccc([C@@H](C)[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)cc1	ZINC000858465771	982065331	/nfs/dbraw/zinc/06/53/31/982065331.db2.gz	MQZNQALFUZWVPO-DYESRHJHSA-N	1	0	358.482	1.965	20	30		FDEDRO
C=CCC[C@H](COc1ccccc1)[NH2+]Cc1nnc2c(=O)n(C)ccn12	ZINC000883337846	982084546	/nfs/dbraw/zinc/08/45/46/982084546.db2.gz	ODVCGSVEKSXPOL-OAHLLOKOSA-N	1	0	353.426	1.931	20	30		FDEDRO
C=C(C)C[C@@H](CO)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1	ZINC000883400566	982114007	/nfs/dbraw/zinc/11/40/07/982114007.db2.gz	PWRIKPMAIONVHW-NSHDSACASA-N	1	0	363.277	1.513	20	30		FDEDRO
C=C(C)C[C@H](CO)NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1	ZINC000883468535	982172625	/nfs/dbraw/zinc/17/26/25/982172625.db2.gz	VKARVOTWSQBTHX-QGZVFWFLSA-N	1	0	352.523	1.563	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1nnc(-c3ccco3)n1)C2	ZINC001110754501	982238712	/nfs/dbraw/zinc/23/87/12/982238712.db2.gz	PKTUJWXTRGRUMA-KFWWJZLASA-N	1	0	356.430	1.621	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)/C=C\c1ccc(S(C)(=O)=O)o1	ZINC000858775371	982285030	/nfs/dbraw/zinc/28/50/30/982285030.db2.gz	CRXNAKUGLOFVRV-VURMDHGXSA-N	1	0	353.444	1.390	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1C1CC1	ZINC000883610232	982307795	/nfs/dbraw/zinc/30/77/95/982307795.db2.gz	QLJXXSAVHZLKNX-FVQBIDKESA-N	1	0	352.438	1.878	20	30		FDEDRO
COC(=O)[C@@H]1CC[C@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)O1	ZINC000858859134	982337470	/nfs/dbraw/zinc/33/74/70/982337470.db2.gz	BPQUNORACSFTEF-SJORKVTESA-N	1	0	359.426	1.169	20	30		FDEDRO
C=C(C)C[C@H](CO)NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000883647814	982344128	/nfs/dbraw/zinc/34/41/28/982344128.db2.gz	FJPPGKQDYGJUNR-MOPGFXCFSA-N	1	0	361.486	1.904	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN(C)CC(=O)NC(C)C)C2	ZINC001110767077	982557196	/nfs/dbraw/zinc/55/71/96/982557196.db2.gz	AHVQPPYYUMASIW-TVFCKZIOSA-N	1	0	364.534	1.519	20	30		FDEDRO
CC(C)(C)OC(=O)NC[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)C1CC1	ZINC000859247850	982644768	/nfs/dbraw/zinc/64/47/68/982644768.db2.gz	CEUBLLCLPMMIQI-HOTGVXAUSA-N	1	0	367.490	1.951	20	30		FDEDRO
COC(=O)N1CCC([C@H](C)[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CC1	ZINC000859259248	982653143	/nfs/dbraw/zinc/65/31/43/982653143.db2.gz	GJEHDEGGQHJTLL-HOCLYGCPSA-N	1	0	353.463	1.514	20	30		FDEDRO
COC(=O)N1CCC([C@H](C)[NH2+]C[C@H](O)CC2(C#N)CCOCC2)CC1	ZINC000859259247	982653566	/nfs/dbraw/zinc/65/35/66/982653566.db2.gz	GJEHDEGGQHJTLL-GOEBONIOSA-N	1	0	353.463	1.514	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1	ZINC000884062036	982793742	/nfs/dbraw/zinc/79/37/42/982793742.db2.gz	DQSIIMMXAREWQS-LJQANCHMSA-N	1	0	355.486	1.443	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NCc2ccc(CS(C)(=O)=O)cc2)C1	ZINC000884066857	982813129	/nfs/dbraw/zinc/81/31/29/982813129.db2.gz	LSKSWTCFKACNAB-KRWDZBQOSA-N	1	0	363.483	1.128	20	30		FDEDRO
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884075680	982826008	/nfs/dbraw/zinc/82/60/08/982826008.db2.gz	HFHSRPWEIYEGSM-MGIDEDSVSA-N	1	0	355.438	1.992	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NCc2cnn(Cc3ccccc3)c2)C1	ZINC000884081441	982837182	/nfs/dbraw/zinc/83/71/82/982837182.db2.gz	ZIDUQHOFNXRUKF-IBGZPJMESA-N	1	0	351.454	1.828	20	30		FDEDRO
CN(Cc1cnn(-c2ccccc2)n1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884090131	982850653	/nfs/dbraw/zinc/85/06/53/982850653.db2.gz	KLLUFIRRXILCNG-XAUUPUKJSA-N	1	0	350.426	1.365	20	30		FDEDRO
Cc1cc(C(=O)N2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CC2)c(C)o1	ZINC000884097160	982861390	/nfs/dbraw/zinc/86/13/90/982861390.db2.gz	WGWPODUZLLRJPI-LFDOHDQPSA-N	1	0	370.453	1.320	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCC(CC(=O)NC3CCCC3)CC1)C2	ZINC000884104731	982872364	/nfs/dbraw/zinc/87/23/64/982872364.db2.gz	UCDAHDHBLJCVOT-BQIYRTECSA-N	1	0	372.513	1.813	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCN(Cc3ccccc3)C1=O)C2	ZINC000884110192	982881523	/nfs/dbraw/zinc/88/15/23/982881523.db2.gz	BMHONGNCCZXNTN-ZEVUXNIQSA-N	1	0	352.438	1.043	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@H+]2CC3(CCOCC3)CC[C@H]2CO)CCOCC1	ZINC000859522071	982892093	/nfs/dbraw/zinc/89/20/93/982892093.db2.gz	MPNIOHSBUKEXAW-DLBZAZTESA-N	1	0	352.475	1.311	20	30		FDEDRO
CN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[C@@H]1CCN(c2ccccc2F)C1=O	ZINC000884137455	982920021	/nfs/dbraw/zinc/92/00/21/982920021.db2.gz	MXHQCCCIMURLSU-YQNDIWKJSA-N	1	0	370.428	1.529	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)N[C@@H]2CC[N@@H+](CCCOCC)C[C@H]2C)C1	ZINC000884152658	982931171	/nfs/dbraw/zinc/93/11/71/982931171.db2.gz	QTMCOGZCAWKWOI-CEXWTWQISA-N	1	0	364.534	1.520	20	30		FDEDRO
C[C@H]1CC[C@H](C)[NH+]1CC(=O)OCC#CCN1C(=O)c2ccccc2C1=O	ZINC000859663442	982964710	/nfs/dbraw/zinc/96/47/10/982964710.db2.gz	OIWPNCHYPABIQN-GJZGRUSLSA-N	1	0	354.406	1.702	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1ccccc1CN1CCOCC1)C2	ZINC000884197632	982972979	/nfs/dbraw/zinc/97/29/79/982972979.db2.gz	ZDUCAKSCTKOSQM-OHTSDLOESA-N	1	0	354.454	1.597	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@H]1CCN(c3ccc(F)cc3)C1)C2	ZINC000884200081	982975362	/nfs/dbraw/zinc/97/53/62/982975362.db2.gz	RWUGNBYNBGDDOL-JQCXZVQFSA-N	1	0	356.445	1.908	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(-n3ccnc3)c(F)c1)C2	ZINC000884200572	982976032	/nfs/dbraw/zinc/97/60/32/982976032.db2.gz	FUBVXQVYYKLNKY-HVEKOLDVSA-N	1	0	353.401	1.767	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1	ZINC000884204157	982979443	/nfs/dbraw/zinc/97/94/43/982979443.db2.gz	ORTBGRGDNCKCPG-ZWKOTPCHSA-N	1	0	359.470	1.695	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1cc(F)cc(N3CCOCC3)c1)C2	ZINC000884208605	982984781	/nfs/dbraw/zinc/98/47/81/982984781.db2.gz	GCRAKSTWLREOCJ-SHYRYGCCSA-N	1	0	358.417	1.740	20	30		FDEDRO
CCN(C[C@@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1)CC(F)(F)F	ZINC000884230222	983004096	/nfs/dbraw/zinc/00/40/96/983004096.db2.gz	MKVIFZNOGBARMX-BOLLXYOYSA-N	1	0	372.435	1.858	20	30		FDEDRO
N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)COCCc1ccc(Br)cc1	ZINC000884249388	983026616	/nfs/dbraw/zinc/02/66/16/983026616.db2.gz	KNFLWJWNKQTWIU-OCCSQVGLSA-N	1	0	352.232	1.236	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NCc2cn(C)nc2-c2ccccc2)C1	ZINC000884262272	983037208	/nfs/dbraw/zinc/03/72/08/983037208.db2.gz	GCJKKSQACAGSPM-SFHVURJKSA-N	1	0	351.454	1.984	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@H](C(N)=O)[C@@H](c2cnn(C)c2)C1	ZINC000332403536	983047307	/nfs/dbraw/zinc/04/73/07/983047307.db2.gz	LDFGIMKYGNLGOF-LJGDNWOOSA-N	1	0	360.462	1.414	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(=O)Nc1ccc(OC)cc1)C2	ZINC001110779567	983062160	/nfs/dbraw/zinc/06/21/60/983062160.db2.gz	LIPSPCCIKJJJIC-NXHRZFHOSA-N	1	0	373.453	1.558	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCCN(C3CCCCC3)C1=O)C2	ZINC000884321215	983082880	/nfs/dbraw/zinc/08/28/80/983082880.db2.gz	IXULERJUXSYBKC-WAGVIYRNSA-N	1	0	358.486	1.566	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1	ZINC000884371750	983121538	/nfs/dbraw/zinc/12/15/38/983121538.db2.gz	WKUPFVBUADNISB-UHFFFAOYSA-N	1	0	366.506	1.091	20	30		FDEDRO
CN(C)C(=O)NCCc1ccc(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1	ZINC000884462009	983168897	/nfs/dbraw/zinc/16/88/97/983168897.db2.gz	STNOAPHERAMOKL-LFDOHDQPSA-N	1	0	369.469	1.578	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H](Nc2ccc(S(N)(=O)=O)cc2C(F)(F)F)C1	ZINC000884612645	983276692	/nfs/dbraw/zinc/27/66/92/983276692.db2.gz	QOABOBFHUYCKMZ-NSHDSACASA-N	1	0	361.389	1.862	20	30		FDEDRO
CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1C#N	ZINC000861523901	983762038	/nfs/dbraw/zinc/76/20/38/983762038.db2.gz	NAECKKRIYXLQAC-RISCZKNCSA-N	1	0	373.413	1.322	20	30		FDEDRO
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1	ZINC000861708863	983845557	/nfs/dbraw/zinc/84/55/57/983845557.db2.gz	CEMJAGUJHOEQIY-CABCVRRESA-N	1	0	354.410	1.532	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1	ZINC000862197817	984237537	/nfs/dbraw/zinc/23/75/37/984237537.db2.gz	QKMVDKBTSWDYOK-SFHVURJKSA-N	1	0	357.454	1.766	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH+]2CCC(n3cc(C(N)=O)nn3)CC2)cc1	ZINC000862483869	984399142	/nfs/dbraw/zinc/39/91/42/984399142.db2.gz	VWMXZMCAGRYINH-UHFFFAOYSA-N	1	0	367.457	1.564	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1	ZINC000884778295	984779788	/nfs/dbraw/zinc/77/97/88/984779788.db2.gz	RQALADGXAFNTDT-MNOVXSKESA-N	1	0	353.410	1.008	20	30		FDEDRO
C[C@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000885845977	985692932	/nfs/dbraw/zinc/69/29/32/985692932.db2.gz	XIOTZZKREYJSLY-ZDUSSCGKSA-N	1	0	360.414	1.992	20	30		FDEDRO
CN1CCOC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1	ZINC001095334682	985931346	/nfs/dbraw/zinc/93/13/46/985931346.db2.gz	DSVYWBDMQKKWHP-YDZRNGNQSA-N	1	0	354.454	1.110	20	30		FDEDRO
CN(C)S(=O)(=O)C1(C[NH2+]Cc2cccc(OCCCC#N)c2)CC1	ZINC000886322166	986067624	/nfs/dbraw/zinc/06/76/24/986067624.db2.gz	QDDMYQNODYDOHR-UHFFFAOYSA-N	1	0	351.472	1.883	20	30		FDEDRO
C#CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)C1	ZINC000886361675	986099974	/nfs/dbraw/zinc/09/99/74/986099974.db2.gz	QPKPCQNGFYKPQL-RBSFLKMASA-N	1	0	363.483	1.245	20	30		FDEDRO
C#CC[N@@H+](CCN1CCOCC1)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886427421	986203280	/nfs/dbraw/zinc/20/32/80/986203280.db2.gz	JVFVKOXHHMFHFK-UHFFFAOYSA-N	1	0	351.491	1.653	20	30		FDEDRO
C#CCN(C(=O)c1cc(=O)n(C)cc1Br)C1CC[NH+](C)CC1	ZINC000886571037	986370162	/nfs/dbraw/zinc/37/01/62/986370162.db2.gz	GMPLZIDPEOSMRN-UHFFFAOYSA-N	1	0	366.259	1.317	20	30		FDEDRO
C#CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C1CC[NH+](C)CC1	ZINC000886574633	986374240	/nfs/dbraw/zinc/37/42/40/986374240.db2.gz	NATQAGJXNIWKQT-UHFFFAOYSA-N	1	0	367.409	1.950	20	30		FDEDRO
C#CCN(C(=O)c1ccnc2c(C(=O)OCC)cnn21)C1CC[NH+](C)CC1	ZINC000886579614	986381164	/nfs/dbraw/zinc/38/11/64/986381164.db2.gz	BFPHHDHCIRXUOY-UHFFFAOYSA-N	1	0	369.425	1.076	20	30		FDEDRO
C#CCN(C(=O)c1cc(N2CCOC2=O)ccc1F)C1CC[NH+](C)CC1	ZINC000886581201	986383739	/nfs/dbraw/zinc/38/37/39/986383739.db2.gz	NAAMRMPBLFTMQT-UHFFFAOYSA-N	1	0	359.401	1.952	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CN(Cc2ccccc2)CCO1)C1CC[NH+](C)CC1	ZINC000886580997	986383800	/nfs/dbraw/zinc/38/38/00/986383800.db2.gz	GANAGEAZKUPIQD-FQEVSTJZSA-N	1	0	355.482	1.443	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)c3cnnn3C3CC[NH2+]CC3)CC2)cc1	ZINC000870981708	986559010	/nfs/dbraw/zinc/55/90/10/986559010.db2.gz	QBLYAWROOAIDKB-UHFFFAOYSA-N	1	0	365.441	1.037	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C2CC[NH2+]CC2)cc1	ZINC000870985855	986561564	/nfs/dbraw/zinc/56/15/64/986561564.db2.gz	DONYNABHZDZGBH-ZDUSSCGKSA-N	1	0	351.472	1.269	20	30		FDEDRO
C=C[C@H](CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1	ZINC000870997990	986572246	/nfs/dbraw/zinc/57/22/46/986572246.db2.gz	CDGOYTADASEGEF-SPUZQDLCSA-N	1	0	355.438	1.740	20	30		FDEDRO
C=CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1	ZINC000871060280	986631020	/nfs/dbraw/zinc/63/10/20/986631020.db2.gz	MLZXVFVVGAHJBC-DLBZAZTESA-N	1	0	355.490	1.856	20	30		FDEDRO
COC[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCCOC1	ZINC000886913388	986734775	/nfs/dbraw/zinc/73/47/75/986734775.db2.gz	AXTGVXNMTHZJIC-RDJZCZTQSA-N	1	0	352.456	1.363	20	30		FDEDRO
COC(=O)CCN(CC#N)C(=O)CCC[NH+]1CCN(c2ccccc2)CC1	ZINC000871340374	986909777	/nfs/dbraw/zinc/90/97/77/986909777.db2.gz	CZNVPFUVVPSZKI-UHFFFAOYSA-N	1	0	372.469	1.504	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N[C@]12CCC[C@H]1[NH2+]CC2	ZINC000871820657	987275851	/nfs/dbraw/zinc/27/58/51/987275851.db2.gz	SRJQXMVDGNUQEC-KGLIPLIRSA-N	1	0	370.272	1.884	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1	ZINC000795189247	987296108	/nfs/dbraw/zinc/29/61/08/987296108.db2.gz	FQVBPXCEZYZQJC-XLIONFOSSA-N	1	0	368.408	1.916	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1	ZINC000872186931	987487582	/nfs/dbraw/zinc/48/75/82/987487582.db2.gz	BEKISUGQSBYBGM-CABCVRRESA-N	1	0	369.387	1.797	20	30		FDEDRO
CN1Cc2ccccc2[C@@H]1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000872235040	987534098	/nfs/dbraw/zinc/53/40/98/987534098.db2.gz	BUGGZVPOHRMECT-KRWDZBQOSA-N	1	0	356.451	1.503	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C2	ZINC000872239586	987536672	/nfs/dbraw/zinc/53/66/72/987536672.db2.gz	RPNSLNVPSLPQRJ-GOSISDBHSA-N	1	0	351.431	1.961	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2	ZINC000872247632	987540438	/nfs/dbraw/zinc/54/04/38/987540438.db2.gz	NISQZEZCLAXUEA-VVLHAWIVSA-N	1	0	366.506	1.570	20	30		FDEDRO
CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc(C)cc2C#N)CC1	ZINC000872454657	987675368	/nfs/dbraw/zinc/67/53/68/987675368.db2.gz	IWSVZHTVZJNKBK-INIZCTEOSA-N	1	0	364.515	1.419	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c(C#N)c1	ZINC000872455365	987676340	/nfs/dbraw/zinc/67/63/40/987676340.db2.gz	PSECUTQKEIPKDC-HNNXBMFYSA-N	1	0	350.488	1.029	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c(C#N)c1	ZINC000872455710	987677416	/nfs/dbraw/zinc/67/74/16/987677416.db2.gz	ZIUMNDDMTRMLSA-KRWDZBQOSA-N	1	0	364.515	1.417	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)NC[C@@H](C)CN1CC[NH+](C)CC1	ZINC000872455609	987677444	/nfs/dbraw/zinc/67/74/44/987677444.db2.gz	WNBNHKGWIPSPTJ-CQSZACIVSA-N	1	0	350.488	1.029	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(C#N)c1	ZINC000872462642	987686196	/nfs/dbraw/zinc/68/61/96/987686196.db2.gz	FHWJVQWMFPEXPD-IXDOHACOSA-N	1	0	363.483	1.739	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1	ZINC000298889865	987935705	/nfs/dbraw/zinc/93/57/05/987935705.db2.gz	ACRLFUJRKSKLKE-NRFANRHFSA-N	1	0	355.482	1.798	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2ccc3c(c2)NC(=O)CNC3=O)CC1	ZINC000292961386	987945956	/nfs/dbraw/zinc/94/59/56/987945956.db2.gz	BJLFOJNUCAEZEM-UHFFFAOYSA-N	1	0	356.426	1.139	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1	ZINC000293082454	987963407	/nfs/dbraw/zinc/96/34/07/987963407.db2.gz	AAVJACKRVBRUGE-IBGZPJMESA-N	1	0	356.426	1.450	20	30		FDEDRO
C[C@H](CCNC(=O)C(=O)Nc1ccc(C#N)cn1)[N@H+](C)Cc1ccccc1	ZINC000293313374	988030590	/nfs/dbraw/zinc/03/05/90/988030590.db2.gz	HEVMXUMBHVUKSF-OAHLLOKOSA-N	1	0	365.437	1.919	20	30		FDEDRO
C#C[C@H]1CC[C@H](NC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1	ZINC000872828260	988136332	/nfs/dbraw/zinc/13/63/32/988136332.db2.gz	WUOZHYSJRKPECW-SAABIXHNSA-N	1	0	355.486	1.825	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)cc1	ZINC000299175014	988200721	/nfs/dbraw/zinc/20/07/21/988200721.db2.gz	ORXPOATUAZCXNY-OAHLLOKOSA-N	1	0	372.469	1.506	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCCN(C(=O)c3ccc[nH]3)CC2)CC1	ZINC000360972375	988231524	/nfs/dbraw/zinc/23/15/24/988231524.db2.gz	LLMAORREUSSANY-UHFFFAOYSA-N	1	0	359.474	1.523	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCC2C[C@H]3CC[C@@H](C2)S3(=O)=O)CC1	ZINC000872901474	988261612	/nfs/dbraw/zinc/26/16/12/988261612.db2.gz	DIGKYKSLNIELCA-VHRNVKJDSA-N	1	0	355.504	1.292	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CCCC(=O)c1ccc2c(c1)OCCO2	ZINC000294098033	988305137	/nfs/dbraw/zinc/30/51/37/988305137.db2.gz	YBLSPXXYVQNESY-UHFFFAOYSA-N	1	0	358.438	1.882	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)cn1	ZINC000873059806	988494282	/nfs/dbraw/zinc/49/42/82/988494282.db2.gz	ZDRLUSBOEUNBDE-OALUTQOASA-N	1	0	368.485	1.802	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)ccc1Cl	ZINC000873102909	988550069	/nfs/dbraw/zinc/55/00/69/988550069.db2.gz	BWPWJTFJIWKOHU-GXSJLCMTSA-N	1	0	374.750	1.746	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1	ZINC000873104375	988556525	/nfs/dbraw/zinc/55/65/25/988556525.db2.gz	MLSWPZOLVQXQAJ-BXUZGUMPSA-N	1	0	369.343	1.233	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c(Cl)c1	ZINC000873108086	988571955	/nfs/dbraw/zinc/57/19/55/988571955.db2.gz	TZUJLZVGSMLYHC-VHSXEESVSA-N	1	0	374.750	1.746	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)CC1	ZINC000299564598	988598965	/nfs/dbraw/zinc/59/89/65/988598965.db2.gz	XSIYKMVAMWPGAN-HXUWFJFHSA-N	1	0	367.493	1.682	20	30		FDEDRO
Cc1nonc1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000873277814	988686196	/nfs/dbraw/zinc/68/61/96/988686196.db2.gz	MCCDVKLTGFYNEF-UHFFFAOYSA-N	1	0	354.414	1.667	20	30		FDEDRO
CN(CC(=O)Nc1ccccc1SCC#N)[C@H]1CCN2CCO[C@H]1C2	ZINC000295551524	988697520	/nfs/dbraw/zinc/69/75/20/988697520.db2.gz	XBCMJSPYQBWFKQ-HOTGVXAUSA-N	1	0	360.483	1.646	20	30		FDEDRO
COc1ccc(C[N@@H+]2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)cc1OCCCC#N	ZINC000366486388	988713411	/nfs/dbraw/zinc/71/34/11/988713411.db2.gz	XKVTVXRFSFTIQI-HUUCEWRRSA-N	1	0	357.410	1.472	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1	ZINC000366536510	988727948	/nfs/dbraw/zinc/72/79/48/988727948.db2.gz	RUIUBKPMWYRBMA-KBPBESRZSA-N	1	0	366.462	1.330	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)CC1	ZINC000363078326	988905170	/nfs/dbraw/zinc/90/51/70/988905170.db2.gz	OXNXJYCIJGGMLD-UHFFFAOYSA-N	1	0	359.514	1.829	20	30		FDEDRO
N#CCNC(=O)CNC(=O)[C@@H]1CC[N@H+](C[C@@H]2CCCc3ccccc32)C1	ZINC000367733539	988965366	/nfs/dbraw/zinc/96/53/66/988965366.db2.gz	IRVSIJYUYIPTKM-DLBZAZTESA-N	1	0	354.454	1.184	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)cc1	ZINC000363191313	988982901	/nfs/dbraw/zinc/98/29/01/988982901.db2.gz	VLQADDRVHOQDPP-LJQANCHMSA-N	1	0	368.481	1.899	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(C)(C)CN2CCn3ccnc3C2)CC1	ZINC000368302121	988987812	/nfs/dbraw/zinc/98/78/12/988987812.db2.gz	RBIYSZMUWFOPPN-UHFFFAOYSA-N	1	0	359.518	1.882	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)cc1C#N	ZINC000873710289	989036701	/nfs/dbraw/zinc/03/67/01/989036701.db2.gz	QZDRAAIUZVXHMB-UHFFFAOYSA-N	1	0	374.441	1.075	20	30		FDEDRO
N#CCCN(C(=O)CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccccc1	ZINC000369276594	989041520	/nfs/dbraw/zinc/04/15/20/989041520.db2.gz	BKLHUJQZMAITKJ-RBUKOAKNSA-N	1	0	356.470	1.464	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)NCCc1ccc(OC)c(OC)c1OC	ZINC000296234690	989059426	/nfs/dbraw/zinc/05/94/26/989059426.db2.gz	FKDAMZJMFWRBCO-UHFFFAOYSA-N	1	0	363.458	1.509	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)c1	ZINC000363282816	989059536	/nfs/dbraw/zinc/05/95/36/989059536.db2.gz	OUZHUDHFRYLQLT-MAUKXSAKSA-N	1	0	360.433	1.997	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(N2CCO[C@@H](C)C2)nc1	ZINC000296258169	989077124	/nfs/dbraw/zinc/07/71/24/989077124.db2.gz	HQRGOVGUYPLBQB-INIZCTEOSA-N	1	0	359.474	1.061	20	30		FDEDRO
N#Cc1cc(F)cc(NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1	ZINC000873734140	989086925	/nfs/dbraw/zinc/08/69/25/989086925.db2.gz	HBZQSQZTTBLNNS-KRWDZBQOSA-N	1	0	374.416	1.395	20	30		FDEDRO
Cc1cc(F)c(C#N)cc1NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1	ZINC000873745852	989107565	/nfs/dbraw/zinc/10/75/65/989107565.db2.gz	QLWGVTKEDOGESI-QGZVFWFLSA-N	1	0	364.446	1.498	20	30		FDEDRO
CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3ccc(OCC#N)cc3)C2)CC1	ZINC000363346841	989114956	/nfs/dbraw/zinc/11/49/56/989114956.db2.gz	YYFQWQJVAGTEHC-QGZVFWFLSA-N	1	0	371.485	1.557	20	30		FDEDRO
Cc1cccc(C)c1OC[C@H](O)C[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000369729624	989128148	/nfs/dbraw/zinc/12/81/48/989128148.db2.gz	MEGNXHPFIAKATN-QGZVFWFLSA-N	1	0	355.442	1.843	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1	ZINC000296339963	989131038	/nfs/dbraw/zinc/13/10/38/989131038.db2.gz	UHUOUWQTUGHCBK-AWEZNQCLSA-N	1	0	373.428	1.719	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)CC1	ZINC000369758262	989150044	/nfs/dbraw/zinc/15/00/44/989150044.db2.gz	VRSJSFYNRHFUEM-NRFANRHFSA-N	1	0	369.509	1.881	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1C#N	ZINC000873775506	989161798	/nfs/dbraw/zinc/16/17/98/989161798.db2.gz	IQVXGROJVBBNLJ-HNNXBMFYSA-N	1	0	372.469	1.990	20	30		FDEDRO
C=C(C)CN(C)C(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(F)c1	ZINC000873794502	989207366	/nfs/dbraw/zinc/20/73/66/989207366.db2.gz	RILWPJBWFNKEEJ-UHFFFAOYSA-N	1	0	362.449	1.941	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000363454442	989214972	/nfs/dbraw/zinc/21/49/72/989214972.db2.gz	NWNDFXBXXKGAFF-YOEHRIQHSA-N	1	0	370.453	1.266	20	30		FDEDRO
N#Cc1cccnc1-n1cc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1	ZINC000369933085	989319077	/nfs/dbraw/zinc/31/90/77/989319077.db2.gz	MFEMODLZQOBJQE-GDBMZVCRSA-N	1	0	351.414	1.887	20	30		FDEDRO
CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)C1	ZINC000369938694	989325030	/nfs/dbraw/zinc/32/50/30/989325030.db2.gz	VWDQNMMFQQIFLI-SJLPKXTDSA-N	1	0	355.486	1.936	20	30		FDEDRO
N#Cc1cccc(CNC(=O)CN2CCC(C[NH+]3CCOCC3)CC2)c1	ZINC000363661077	989374843	/nfs/dbraw/zinc/37/48/43/989374843.db2.gz	PDUNCTUCWPXQOW-UHFFFAOYSA-N	1	0	356.470	1.219	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2Cc3ccccc3CN2C(C)=O)CC1	ZINC000370019313	989390302	/nfs/dbraw/zinc/39/03/02/989390302.db2.gz	PNKSWBHCECGSJP-HXUWFJFHSA-N	1	0	353.466	1.564	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2Cc3ccccc3CN2C(C)=O)CC1	ZINC000370019308	989390805	/nfs/dbraw/zinc/39/08/05/989390805.db2.gz	PNKSWBHCECGSJP-FQEVSTJZSA-N	1	0	353.466	1.564	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1C#N	ZINC000873895626	989408403	/nfs/dbraw/zinc/40/84/03/989408403.db2.gz	VVBASOTZWQHUDJ-LJQANCHMSA-N	1	0	356.426	1.450	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cnc2c(ccc(F)c2F)c1	ZINC000873896444	989410693	/nfs/dbraw/zinc/41/06/93/989410693.db2.gz	WRYDXTKRWVZUOU-UHFFFAOYSA-N	1	0	360.364	1.523	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N[C@@H](CO)c1ccccc1OC(F)(F)F	ZINC000296808734	989420594	/nfs/dbraw/zinc/42/05/94/989420594.db2.gz	INZFPDCRXRLFJQ-AWEZNQCLSA-N	1	0	373.375	1.873	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1C#N	ZINC000873938896	989489944	/nfs/dbraw/zinc/48/99/44/989489944.db2.gz	XHUSYNIICZQYIW-CVEARBPZSA-N	1	0	356.426	1.638	20	30		FDEDRO
C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1	ZINC000364350086	989545250	/nfs/dbraw/zinc/54/52/50/989545250.db2.gz	DZLQGXBGVCKDIZ-QZTJIDSGSA-N	1	0	354.454	1.602	20	30		FDEDRO
C[C@@H](C#N)CN(C)C(=O)C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1	ZINC000297623174	989581390	/nfs/dbraw/zinc/58/13/90/989581390.db2.gz	INUQXBVXESQWET-INIZCTEOSA-N	1	0	356.470	1.727	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCCN(C(=O)c2ccc[nH]2)CC1	ZINC000364524233	989621639	/nfs/dbraw/zinc/62/16/39/989621639.db2.gz	MRRMNJOBPHBTJH-MRXNPFEDSA-N	1	0	371.485	1.894	20	30		FDEDRO
CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCCc3cccc(C#N)c3)C2)CC1	ZINC000370295109	989631764	/nfs/dbraw/zinc/63/17/64/989631764.db2.gz	UORBAABUGZGPBV-GOSISDBHSA-N	1	0	355.486	1.568	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C2=NN(c3ccc(C)cc3)C(=O)CN2)CC1	ZINC000364737779	989751887	/nfs/dbraw/zinc/75/18/87/989751887.db2.gz	RNUIFOLBYFZCHF-UHFFFAOYSA-N	1	0	355.442	1.011	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)NCc1c(C)nn(C)c1N1CCC[N@H+](C)CC1	ZINC000364764756	989777207	/nfs/dbraw/zinc/77/72/07/989777207.db2.gz	TWRUOAUKXWMLSR-MRXNPFEDSA-N	1	0	363.506	1.468	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1	ZINC000874171785	989864542	/nfs/dbraw/zinc/86/45/42/989864542.db2.gz	FPRBYPWOQTWVNP-CJNGLKHVSA-N	1	0	359.401	1.329	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1	ZINC000874175301	989882729	/nfs/dbraw/zinc/88/27/29/989882729.db2.gz	VRGKBDMHMDSNFK-CJNGLKHVSA-N	1	0	359.401	1.329	20	30		FDEDRO
N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)NCC[N@H+]2CC=CCC2)c1	ZINC000370630083	989909269	/nfs/dbraw/zinc/90/92/69/989909269.db2.gz	FLSYYQVNAOKKRX-GOSISDBHSA-N	1	0	352.438	1.427	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@@H](O)C1	ZINC000968676537	1015519383	/nfs/dbraw/zinc/51/93/83/1015519383.db2.gz	NGJBTNMRELZDHG-ZACQAIPSSA-N	1	0	365.518	1.397	20	30		FDEDRO
C[C@@H]([NH2+][C@H]1CCCN(c2ccncn2)C1)C(=O)Nc1cccc(C#N)c1	ZINC000370901055	990106878	/nfs/dbraw/zinc/10/68/78/990106878.db2.gz	VIJGKZDOQMWRKN-PBHICJAKSA-N	1	0	350.426	1.934	20	30		FDEDRO
Cc1n[nH]c(=O)c(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1C	ZINC000298490313	990130576	/nfs/dbraw/zinc/13/05/76/990130576.db2.gz	IWCKRRIZDODQPV-UHFFFAOYSA-N	1	0	351.410	1.216	20	30		FDEDRO
C#CCCCCC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC[NH+](C)C	ZINC000298579441	990172220	/nfs/dbraw/zinc/17/22/20/990172220.db2.gz	OQICUMIWXQVDCU-IBGZPJMESA-N	1	0	355.482	1.811	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C	ZINC000874364673	990178866	/nfs/dbraw/zinc/17/88/66/990178866.db2.gz	NDSIWGPDDOFULJ-DLBZAZTESA-N	1	0	370.453	1.979	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)C1	ZINC001095430674	990283438	/nfs/dbraw/zinc/28/34/38/990283438.db2.gz	XCICAGVRGWLDOG-SFKBXODTSA-N	1	0	366.465	1.694	20	30		FDEDRO
CC(C)N1CC[NH+](C2CCN(CC(=O)N[C@@](C)(C#N)C3CC3)CC2)CC1	ZINC000371344398	990369562	/nfs/dbraw/zinc/36/95/62/990369562.db2.gz	LAFJOZIVRQRPMY-FQEVSTJZSA-N	1	0	361.534	1.285	20	30		FDEDRO
N#CC1(NC(=O)[C@@H](O)c2cccnc2)CC[NH+](Cc2ccccc2)CC1	ZINC000371537207	990510210	/nfs/dbraw/zinc/51/02/10/990510210.db2.gz	XKRQGRVVSMVZDO-SFHVURJKSA-N	1	0	350.422	1.790	20	30		FDEDRO
CCC(=O)N1CC[C@@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1	ZINC000371541321	990512347	/nfs/dbraw/zinc/51/23/47/990512347.db2.gz	AIHMRQLDGTWTSY-GOSISDBHSA-N	1	0	368.481	1.919	20	30		FDEDRO
C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)C[C@H]1CCCN1c1cccnn1	ZINC000371549411	990516174	/nfs/dbraw/zinc/51/61/74/990516174.db2.gz	STKHLLPCYNFKBH-QZTJIDSGSA-N	1	0	367.453	1.689	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C	ZINC000874841002	990565568	/nfs/dbraw/zinc/56/55/68/990565568.db2.gz	BKZLTQMWLOHHRW-MSOLQXFVSA-N	1	0	366.469	1.846	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1	ZINC000874993565	990694702	/nfs/dbraw/zinc/69/47/02/990694702.db2.gz	FBUOJQHUWKVXFE-GJZGRUSLSA-N	1	0	363.483	1.156	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)NCc1ccccc1C[NH+]1CCCC1	ZINC000875013832	990729533	/nfs/dbraw/zinc/72/95/33/990729533.db2.gz	MZRZQYPCLVDPLD-LJQANCHMSA-N	1	0	371.481	1.443	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN([C@H]3CCN(c4sccc4C#N)C3=O)CC2)C1	ZINC000371923136	990826636	/nfs/dbraw/zinc/82/66/36/990826636.db2.gz	NFCQMFYZPFKIBE-IRXDYDNUSA-N	1	0	373.526	1.437	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C	ZINC000371999639	990882888	/nfs/dbraw/zinc/88/28/88/990882888.db2.gz	QKJNUWOFPKVBLJ-BZUAXINKSA-N	1	0	367.490	1.683	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000875116466	990919694	/nfs/dbraw/zinc/91/96/94/990919694.db2.gz	GQOMZHQLJLFHSZ-RBUKOAKNSA-N	1	0	371.481	1.169	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1	ZINC000875122364	990926539	/nfs/dbraw/zinc/92/65/39/990926539.db2.gz	MSNSMCZWIYYHFC-HOTGVXAUSA-N	1	0	351.491	1.158	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000372218555	990967774	/nfs/dbraw/zinc/96/77/74/990967774.db2.gz	PMRYHHLJHCQZIG-BXTJHSDWSA-N	1	0	367.453	1.526	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)Cn1nc2n(c1=O)CCCC2)C(C)C	ZINC000651333054	1015604248	/nfs/dbraw/zinc/60/42/48/1015604248.db2.gz	WHZWMJXWXVJCFA-MRXNPFEDSA-N	1	0	361.490	1.196	20	30		FDEDRO
CN1CCC[C@]2(CC[N@@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1=O	ZINC000372493641	991161785	/nfs/dbraw/zinc/16/17/85/991161785.db2.gz	HVCOLZROXANMTB-GHTZIAJQSA-N	1	0	366.465	1.998	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000875249569	991192724	/nfs/dbraw/zinc/19/27/24/991192724.db2.gz	AOANQRRNKUMARQ-UHOSZYNNSA-N	1	0	371.481	1.168	20	30		FDEDRO
Cc1oc(NC(=O)[C@H](C)N2CCC[N@H+](CC(C)(C)O)CC2)c(C#N)c1C	ZINC000372555127	991208735	/nfs/dbraw/zinc/20/87/35/991208735.db2.gz	RFLRQZJRPDQZPJ-AWEZNQCLSA-N	1	0	362.474	1.874	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F	ZINC000875270903	991232554	/nfs/dbraw/zinc/23/25/54/991232554.db2.gz	AUYURIXIIQZOOO-CABCVRRESA-N	1	0	369.391	1.707	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1	ZINC000875286275	991261884	/nfs/dbraw/zinc/26/18/84/991261884.db2.gz	HIEPEXIXELIJGC-WWDZGPRUSA-N	1	0	363.502	1.444	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)c1	ZINC000372713018	991378188	/nfs/dbraw/zinc/37/81/88/991378188.db2.gz	ISCSEXVXQTVJRX-HNNXBMFYSA-N	1	0	361.442	1.105	20	30		FDEDRO
C[N@H+](CC(=O)NCc1ccc(C#N)cc1)C1CCN(c2cccnn2)CC1	ZINC000372745298	991447256	/nfs/dbraw/zinc/44/72/56/991447256.db2.gz	ZIXDVBYCRSCKJM-UHFFFAOYSA-N	1	0	364.453	1.565	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H](O)C2)CC1	ZINC000964741351	1015658555	/nfs/dbraw/zinc/65/85/55/1015658555.db2.gz	PNALIQJTQDNUOG-MLHJIOFPSA-N	1	0	363.502	1.151	20	30		FDEDRO
C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@H]1Cc2ccc(C#N)cc2C1	ZINC000875712175	991929559	/nfs/dbraw/zinc/92/95/59/991929559.db2.gz	CFJIJDHCMMHHLU-KXBFYZLASA-N	1	0	357.502	1.597	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1C#N	ZINC000373186747	991988185	/nfs/dbraw/zinc/98/81/85/991988185.db2.gz	QUZZIQDCZSTFTK-WMLDXEAASA-N	1	0	370.453	1.837	20	30		FDEDRO
N#CC[C@H](CC(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)c1ccccc1	ZINC000373508830	992258385	/nfs/dbraw/zinc/25/83/85/992258385.db2.gz	IZCTZQHPDKIVTL-LJQANCHMSA-N	1	0	371.481	1.760	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cnn(CC3CCOCC3)c2C)CC1	ZINC000373523196	992266707	/nfs/dbraw/zinc/26/67/07/992266707.db2.gz	VOFDDTAGMMBDPE-UHFFFAOYSA-N	1	0	358.486	1.836	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(-c3ccoc3C)on2)CC1	ZINC000411223202	992267571	/nfs/dbraw/zinc/26/75/71/992267571.db2.gz	HXFFSFFFEYXHCF-UHFFFAOYSA-N	1	0	372.425	2.338	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1	ZINC000876280124	992520359	/nfs/dbraw/zinc/52/03/59/992520359.db2.gz	XBDSHQFHLULCBL-SFHVURJKSA-N	1	0	356.470	1.560	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CC[NH+]([C@@H]3CCC[C@H]3O)CC1)C2	ZINC000876283547	992523120	/nfs/dbraw/zinc/52/31/20/992523120.db2.gz	BQBDWTIDCGKZLD-GUDVDZBRSA-N	1	0	354.454	1.266	20	30		FDEDRO
N#CCCn1cc(C[N@H+]2CC[C@@H]3OCC(=O)N[C@@H]3C2)c(-c2ccccc2)n1	ZINC000373970364	992536900	/nfs/dbraw/zinc/53/69/00/992536900.db2.gz	UKOBKXDPSMVIFD-MSOLQXFVSA-N	1	0	365.437	1.553	20	30		FDEDRO
CSC1([C@H](C#N)N(C)C(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)CC1	ZINC000876458010	992618274	/nfs/dbraw/zinc/61/82/74/992618274.db2.gz	MHXPITUBELEEIZ-OAGGEKHMSA-N	1	0	361.515	1.702	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](C[NH2+]C)C2)s1	ZINC000876504143	992671383	/nfs/dbraw/zinc/67/13/83/992671383.db2.gz	VBBVHZZFFBNVIM-CYBMUJFWSA-N	1	0	371.528	1.213	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](C[NH2+]C)C2)s1	ZINC000876504144	992671406	/nfs/dbraw/zinc/67/14/06/992671406.db2.gz	VBBVHZZFFBNVIM-ZDUSSCGKSA-N	1	0	371.528	1.213	20	30		FDEDRO
N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000411887387	992681472	/nfs/dbraw/zinc/68/14/72/992681472.db2.gz	CCKSQUMGJJBGKX-OKZBNKHCSA-N	1	0	354.454	1.365	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])s1	ZINC000876533910	992689889	/nfs/dbraw/zinc/68/98/89/992689889.db2.gz	MTZGUVSMWRRBJJ-TZMCWYRMSA-N	1	0	371.528	1.341	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@@H](CO)Cc1ccc(F)cc1	ZINC000876593306	992727226	/nfs/dbraw/zinc/72/72/26/992727226.db2.gz	ZGHLDBGQGFZLRR-OXJNMPFZSA-N	1	0	367.424	1.852	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(=O)N(C)C)C1	ZINC000411950872	992734504	/nfs/dbraw/zinc/73/45/04/992734504.db2.gz	WSPWZGUUQCUCMU-HZPDHXFCSA-N	1	0	372.469	1.740	20	30		FDEDRO
C=CCNC(=O)c1ccc(N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)nc1	ZINC000374256245	992738304	/nfs/dbraw/zinc/73/83/04/992738304.db2.gz	NBNDNLAZPHEXSM-INIZCTEOSA-N	1	0	357.502	1.602	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCc2ccc(S(=O)(=O)N(C)C)cc21	ZINC000876661955	992779696	/nfs/dbraw/zinc/77/96/96/992779696.db2.gz	RVEZDBOQNMIJPJ-CYBMUJFWSA-N	1	0	357.863	1.296	20	30		FDEDRO
COCCCOC1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876672199	992784992	/nfs/dbraw/zinc/78/49/92/992784992.db2.gz	BWMJPJRYEKOTFH-IBGZPJMESA-N	1	0	357.454	1.789	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1	ZINC000876681272	992791253	/nfs/dbraw/zinc/79/12/53/992791253.db2.gz	OCMZKGWYHGWWGX-UKRRQHHQSA-N	1	0	351.834	1.252	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1	ZINC000876702770	992809109	/nfs/dbraw/zinc/80/91/09/992809109.db2.gz	FBRCVKWTIMPQPK-AWEZNQCLSA-N	1	0	356.253	1.981	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1	ZINC000876711462	992817411	/nfs/dbraw/zinc/81/74/11/992817411.db2.gz	YWGHZEQTTBLCON-HZPDHXFCSA-N	1	0	355.841	1.785	20	30		FDEDRO
N#Cc1ccc2c(c1)CCN[C@H]2C(=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000876755568	992877631	/nfs/dbraw/zinc/87/76/31/992877631.db2.gz	VGXIQHIBJZIQCH-LJQANCHMSA-N	1	0	368.481	1.506	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cccc(CC(=O)N2CCN(C)CC2)c1	ZINC000876778091	992903716	/nfs/dbraw/zinc/90/37/16/992903716.db2.gz	WJKFKEUVPBMQAP-MRXNPFEDSA-N	1	0	364.877	1.412	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)N1CCN(C)CC1	ZINC000876779762	992904952	/nfs/dbraw/zinc/90/49/52/992904952.db2.gz	MHXDIVHJEHDVEB-UONOGXRCSA-N	1	0	356.923	1.623	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCC[NH2+][C@H]2C)s1	ZINC000876831484	992929744	/nfs/dbraw/zinc/92/97/44/992929744.db2.gz	GBCZMAWKBFNEOZ-AAEUAGOBSA-N	1	0	357.501	1.012	20	30		FDEDRO
N#CC1(NC(=O)Cn2ccc([N+](=O)[O-])n2)CC[NH+](Cc2ccccc2)CC1	ZINC000374860463	992958317	/nfs/dbraw/zinc/95/83/17/992958317.db2.gz	ABRXBTWYEZTZST-UHFFFAOYSA-N	1	0	368.397	1.466	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC(c3ccc(OC)c(C)c3)=NO2)CC1	ZINC000374869440	992960017	/nfs/dbraw/zinc/96/00/17/992960017.db2.gz	RSUAIYIVODSKDC-SFHVURJKSA-N	1	0	369.465	1.958	20	30		FDEDRO
CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)CC2(C#N)CCOCC2)CC1	ZINC000876928364	992971113	/nfs/dbraw/zinc/97/11/13/992971113.db2.gz	BBXKDVFKCNGPGT-HNNXBMFYSA-N	1	0	357.520	1.879	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCO[C@@H](CC(F)(F)F)C1	ZINC000876978087	992993469	/nfs/dbraw/zinc/99/34/69/992993469.db2.gz	FSWQHCYSVXWZCM-ZFWWWQNUSA-N	1	0	353.344	1.925	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)s1	ZINC000876986112	992997066	/nfs/dbraw/zinc/99/70/66/992997066.db2.gz	XWUPXBIDNFIONQ-WBMJQRKESA-N	1	0	369.512	1.095	20	30		FDEDRO
C#CCOc1ccccc1C[N@H+]1CCC[C@H](n2cc(C(=O)OC)nn2)C1	ZINC000375173525	993015571	/nfs/dbraw/zinc/01/55/71/993015571.db2.gz	AYQQMGXPNRRRRA-INIZCTEOSA-N	1	0	354.410	1.914	20	30		FDEDRO
CC(C)(CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)C(=O)N1CCCC1	ZINC000877062438	993035587	/nfs/dbraw/zinc/03/55/87/993035587.db2.gz	MCHFWGUXFWFYCA-KRWDZBQOSA-N	1	0	354.454	1.510	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2C3CCC2(C[NH3+])CC3)ccc1F	ZINC000877191232	993095565	/nfs/dbraw/zinc/09/55/65/993095565.db2.gz	LYLIEGMHYLTVKD-UHFFFAOYSA-N	1	0	367.446	1.386	20	30		FDEDRO
CN(CCc1cccc(C#N)c1)C(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F	ZINC000877223751	993114322	/nfs/dbraw/zinc/11/43/22/993114322.db2.gz	PNGSBFNJGAIYHZ-CQSZACIVSA-N	1	0	374.395	1.936	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N[C@H]1COc2cccc(Br)c2C1	ZINC000877259650	993156188	/nfs/dbraw/zinc/15/61/88/993156188.db2.gz	VJJQSAGGBWMCJJ-CYBMUJFWSA-N	1	0	363.255	1.872	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)ccc1F	ZINC000877285694	993177442	/nfs/dbraw/zinc/17/74/42/993177442.db2.gz	WWRUVKWEAJEDHP-LSDHHAIUSA-N	1	0	367.446	1.257	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1c(I)cnn1C	ZINC000877291864	993186184	/nfs/dbraw/zinc/18/61/84/993186184.db2.gz	PKJPHHGRPCLQJG-MRVPVSSYSA-N	1	0	368.606	1.111	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](C)Cn2ncc3ccccc3c2=O)CC1	ZINC000126498972	993265214	/nfs/dbraw/zinc/26/52/14/993265214.db2.gz	FPIBNDRNMGCWHP-HNNXBMFYSA-N	1	0	352.438	1.246	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)c1	ZINC000923701777	993404954	/nfs/dbraw/zinc/40/49/54/993404954.db2.gz	XCGOSYOWZVTBGA-UKRRQHHQSA-N	1	0	351.472	1.208	20	30		FDEDRO
C#C[C@H](CO)NC(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1	ZINC000878007923	993606266	/nfs/dbraw/zinc/60/62/66/993606266.db2.gz	PEUSQTUMYODMHV-CQSZACIVSA-N	1	0	350.850	1.598	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(OCC(N)=O)cc1)C2	ZINC001095721075	994236880	/nfs/dbraw/zinc/23/68/80/994236880.db2.gz	PYMCMHCGGOYBKH-NJAFHUGGSA-N	1	0	357.454	1.852	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H](CCOC)NC(=O)OC(C)(C)C)CC1	ZINC000878926573	994355469	/nfs/dbraw/zinc/35/54/69/994355469.db2.gz	LHDCTGOZBMQIPK-MRXNPFEDSA-N	1	0	367.490	1.520	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC[C@H]21	ZINC000879202701	994630561	/nfs/dbraw/zinc/63/05/61/994630561.db2.gz	NEAIRIDDIRCYEJ-GDBMZVCRSA-N	1	0	351.414	1.697	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+]C(C)(C)[C@H]2CCCCO2)CC1	ZINC000879407178	994883669	/nfs/dbraw/zinc/88/36/69/994883669.db2.gz	VTUNMNHSTMIFIP-DLBZAZTESA-N	1	0	350.507	1.616	20	30		FDEDRO
CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+](C)CCc2cccc(C#N)c2)CC1	ZINC000879434803	994911228	/nfs/dbraw/zinc/91/12/28/994911228.db2.gz	YSXKIVHBLWFRJA-MRXNPFEDSA-N	1	0	372.469	1.722	20	30		FDEDRO
C[C@H](CC(C)(C)C#N)[NH2+]CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000924730445	994955867	/nfs/dbraw/zinc/95/58/67/994955867.db2.gz	NJYXYRYUYVCNBO-CQSZACIVSA-N	1	0	352.479	1.984	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C2CC3(CC(NC(=O)[C@H]4CC[C@@H](C)O4)C3)C2)C1=O	ZINC000965209367	1015920053	/nfs/dbraw/zinc/92/00/53/1015920053.db2.gz	BKULQCWMCXZLKA-DDFPFOKPSA-N	1	0	361.486	1.358	20	30		FDEDRO
C#CC[N@H+](C)CCCN1C(=O)N[C@@H](c2ccc(Br)cc2)C1=O	ZINC000925308919	995477655	/nfs/dbraw/zinc/47/76/55/995477655.db2.gz	UDPDVRRKBXGMSP-AWEZNQCLSA-N	1	0	364.243	1.997	20	30		FDEDRO
C=CCc1cc(C[NH2+][C@@H]2C(=O)NCC23CCOCC3)cc(OC)c1OC	ZINC000925356201	995528678	/nfs/dbraw/zinc/52/86/78/995528678.db2.gz	KUVGCXWDMQDRCM-GOSISDBHSA-N	1	0	360.454	1.817	20	30		FDEDRO
C#CCN(C(=O)NC[C@H]1CC[N@H+]1C)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000925432036	995593277	/nfs/dbraw/zinc/59/32/77/995593277.db2.gz	LBWXYKVWMLVNQR-MRXNPFEDSA-N	1	0	364.490	1.735	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N[C@@H]1COC[C@@H]1Oc1cnn(-c2ccccc2)c1	ZINC000925782010	995766185	/nfs/dbraw/zinc/76/61/85/995766185.db2.gz	JUDILWHRAAQBSK-MSOLQXFVSA-N	1	0	356.426	1.253	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H]([NH3+])C(C)(C)C2)cc1	ZINC000925945736	995847851	/nfs/dbraw/zinc/84/78/51/995847851.db2.gz	BIOMZMPSHMPGAA-OAHLLOKOSA-N	1	0	366.487	1.694	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1	ZINC000925959083	995856063	/nfs/dbraw/zinc/85/60/63/995856063.db2.gz	ARKNCNVSYJIAHZ-KRWDZBQOSA-N	1	0	372.469	1.964	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)cc1	ZINC000925961424	995858441	/nfs/dbraw/zinc/85/84/41/995858441.db2.gz	UDQLKTYHRVURNU-QGZVFWFLSA-N	1	0	372.469	1.883	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2	ZINC000925980297	995874283	/nfs/dbraw/zinc/87/42/83/995874283.db2.gz	ZMGVSYFBNVAVFT-NAMSHAPFSA-N	1	0	353.463	1.197	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)Cc1ccc(OCC#N)cc1)C2	ZINC000926173622	995957747	/nfs/dbraw/zinc/95/77/47/995957747.db2.gz	XJHULBKUOZYKBC-UKAVVXHISA-N	1	0	371.481	1.727	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccccc1OCC#N)C2	ZINC000926177776	995960701	/nfs/dbraw/zinc/96/07/01/995960701.db2.gz	BBIZBTUHUUHDCK-QQTQMKHKSA-N	1	0	357.454	1.798	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1)C2	ZINC000926190621	995969925	/nfs/dbraw/zinc/96/99/25/995969925.db2.gz	SIDFJGSHDNTKKB-VEPVOHMBSA-N	1	0	371.481	1.921	20	30		FDEDRO
N#CCCc1ccc(NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1	ZINC000926198432	995974941	/nfs/dbraw/zinc/97/49/41/995974941.db2.gz	LAIKOUVODHNFLR-BBWFWOEESA-N	1	0	369.425	1.542	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)C(=O)N3CC[C@H](CC[NH3+])C3)CC2)cc1	ZINC000926311323	996047379	/nfs/dbraw/zinc/04/73/79/996047379.db2.gz	UQRODQIROXTDCV-INIZCTEOSA-N	1	0	370.453	1.125	20	30		FDEDRO
C=CCCN(OCc1ccccc1)C(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1	ZINC000926360355	996085778	/nfs/dbraw/zinc/08/57/78/996085778.db2.gz	KPKINHRQNBRBQE-SJLPKXTDSA-N	1	0	359.470	1.966	20	30		FDEDRO
C#CCN(C(=O)NC[C@@H]1CCN1C(=O)OC(C)(C)C)C1CC[NH+](C)CC1	ZINC000927045223	996427618	/nfs/dbraw/zinc/42/76/18/996427618.db2.gz	PVPYBKFXRJDNPN-INIZCTEOSA-N	1	0	364.490	1.735	20	30		FDEDRO
CCN(C(=O)C(=O)Nc1ccc(Br)c(C#N)c1)[C@H]1CC[NH2+]C1	ZINC000887007000	996822682	/nfs/dbraw/zinc/82/26/82/996822682.db2.gz	BDOQWUJRNYCSPL-LBPRGKRZSA-N	1	0	365.231	1.470	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(N2CCCCC2)c(F)c1	ZINC000890300403	997168164	/nfs/dbraw/zinc/16/81/64/997168164.db2.gz	NNACYYLDLPUQAH-UHFFFAOYSA-N	1	0	374.460	1.826	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[N@@H+](C3CC3)C[C@H](C)C2)CC1	ZINC000333410088	997213104	/nfs/dbraw/zinc/21/31/04/997213104.db2.gz	KBFWWKZBHCMMMP-IEBWSBKVSA-N	1	0	361.534	1.095	20	30		FDEDRO
N#Cc1ccc(-n2cc(CC3(O)CC[NH2+]CC3)nn2)cc1C(F)(F)F	ZINC000887419343	997251451	/nfs/dbraw/zinc/25/14/51/997251451.db2.gz	MNDRQBIKTOMUTG-UHFFFAOYSA-N	1	0	351.332	1.815	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)cc1OC	ZINC000264060712	997392185	/nfs/dbraw/zinc/39/21/85/997392185.db2.gz	CRCLWGULSXLULC-UHFFFAOYSA-N	1	0	356.430	1.131	20	30		FDEDRO
CCCCNC(=[NH2+])NCc1ccccc1OCC(=O)NC[C@H]1CCCO1	ZINC000264077186	997397817	/nfs/dbraw/zinc/39/78/17/997397817.db2.gz	GDFVTYUKADQKSQ-MRXNPFEDSA-N	1	0	362.474	1.565	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCc2ccc(N3CCOCC3)nc2)cc1	ZINC000264116817	997405190	/nfs/dbraw/zinc/40/51/90/997405190.db2.gz	QBOYWTTZWSCHSP-UHFFFAOYSA-N	1	0	369.469	1.574	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)/C=C/c2ccc(OCC#N)c(OC)c2)C1	ZINC000264522193	997529594	/nfs/dbraw/zinc/52/95/94/997529594.db2.gz	MWEZMBFJJIEZFD-MQDFFIGUSA-N	1	0	359.426	1.448	20	30		FDEDRO
O=C(NCCC[NH2+]C1CCCCC1)NCCNC(=O)C1N=CC=CC1=O	ZINC000264806892	997617865	/nfs/dbraw/zinc/61/78/65/997617865.db2.gz	VDKQGCLCPOFIEZ-MSUUIHNZSA-N	1	0	363.462	1.124	20	30		FDEDRO
COc1cc(OC)c(OC)cc1C[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000264992806	997669616	/nfs/dbraw/zinc/66/96/16/997669616.db2.gz	XKUDCEUUCRVJBC-ZCXUNETKSA-N	1	0	361.398	1.328	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)O2	ZINC000965550407	1016178958	/nfs/dbraw/zinc/17/89/58/1016178958.db2.gz	YGNLRYHCQCZNRN-BZUAXINKSA-N	1	0	363.502	1.415	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC[N@@H+]1C	ZINC000889449932	998358022	/nfs/dbraw/zinc/35/80/22/998358022.db2.gz	BJKKPISMUDJMCU-SOUVJXGZSA-N	1	0	350.463	1.688	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2c(OC)ccnc2OC)CC1	ZINC000889904120	998723206	/nfs/dbraw/zinc/72/32/06/998723206.db2.gz	UROIBRMSJSIBAB-UHFFFAOYSA-N	1	0	362.430	1.194	20	30		FDEDRO
N#C[C@H]1CN(C(=O)NCCC2(O)CC[NH+](Cc3ccccc3)CC2)CCO1	ZINC000890000689	998765171	/nfs/dbraw/zinc/76/51/71/998765171.db2.gz	ZURYLLGMFZPXQW-SFHVURJKSA-N	1	0	372.469	1.338	20	30		FDEDRO
CC(C)(C#N)CNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000890079859	998807549	/nfs/dbraw/zinc/80/75/49/998807549.db2.gz	ZSBPICXVRDLNOF-KRWDZBQOSA-N	1	0	369.469	1.575	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NCC[C@@H](O)COCc2ccccc2)C1	ZINC000890361473	998913361	/nfs/dbraw/zinc/91/33/61/998913361.db2.gz	RPKGYBODOXDLME-RBUKOAKNSA-N	1	0	359.470	1.351	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNc3cccc(F)c3C#N)C2)CC[N@@H+]1C	ZINC001066686483	999015792	/nfs/dbraw/zinc/01/57/92/999015792.db2.gz	RWOPOADWVSRWCP-QLFBSQMISA-N	1	0	360.433	1.677	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C3CC3)CCOCC1)C2	ZINC001110848329	999031444	/nfs/dbraw/zinc/03/14/44/999031444.db2.gz	PTXCJDMRKIJPPB-ZACQAIPSSA-N	1	0	361.486	1.217	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1COCCN1CCCC)C2	ZINC001110857529	999051961	/nfs/dbraw/zinc/05/19/61/999051961.db2.gz	GNXZQRGDEOTGKK-AKHDSKFASA-N	1	0	365.518	1.411	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occ3c1CCOC3)C2	ZINC001110858636	999056620	/nfs/dbraw/zinc/05/66/20/999056620.db2.gz	JSADAFUPJWCRHF-JFOHDYCDSA-N	1	0	373.453	1.378	20	30		FDEDRO
CN1CC[NH+](CC2CCN(C(=O)Cc3ccccc3CC#N)CC2)CC1	ZINC000777392378	999057287	/nfs/dbraw/zinc/05/72/87/999057287.db2.gz	CKDHAOQLALVKHZ-UHFFFAOYSA-N	1	0	354.498	1.781	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCNC(=O)C(C)(C)C)C2	ZINC001110882353	999108305	/nfs/dbraw/zinc/10/83/05/999108305.db2.gz	GBOAWXPGNLCZEH-OAGGEKHMSA-N	1	0	351.491	1.463	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC[N@@H+](C(C)C)CC1	ZINC000266548295	999186121	/nfs/dbraw/zinc/18/61/21/999186121.db2.gz	FZTYVLBISVGUPD-UHFFFAOYSA-N	1	0	361.417	1.719	20	30		FDEDRO
CC[N@H+](C)C[C@H]1CCN(CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1	ZINC000266600878	999198135	/nfs/dbraw/zinc/19/81/35/999198135.db2.gz	DLKDITIGJCCKOI-GDBMZVCRSA-N	1	0	367.453	1.785	20	30		FDEDRO
CN(CC[N@H+](C)C1CCN(C)CC1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000267480789	999346363	/nfs/dbraw/zinc/34/63/63/999346363.db2.gz	SJTOYAZBVYFKAL-FQEVSTJZSA-N	1	0	369.513	1.621	20	30		FDEDRO
CCOC(=O)Nc1ccc(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1C#N	ZINC000269853142	999476160	/nfs/dbraw/zinc/47/61/60/999476160.db2.gz	RRWFFZNVVWNZFG-OAHLLOKOSA-N	1	0	374.445	1.494	20	30		FDEDRO
CC(C)(C)c1nc(CCNC(=[NH2+])N2CCN(c3ncccn3)CC2)cs1	ZINC000270839720	999623560	/nfs/dbraw/zinc/62/35/60/999623560.db2.gz	WABWVPMCWNNBFJ-UHFFFAOYSA-N	1	0	373.530	1.910	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)nn1CCC#N	ZINC000271048967	999653231	/nfs/dbraw/zinc/65/32/31/999653231.db2.gz	VNPYNVNKYGMVEJ-ZDUSSCGKSA-N	1	0	374.470	1.524	20	30		FDEDRO
COc1ccc(C[C@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1OC	ZINC000271447038	999702879	/nfs/dbraw/zinc/70/28/79/999702879.db2.gz	HQYADGZNOFIKNE-UNQMGURYSA-N	1	0	359.426	1.751	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C[N@@H+]1C1CC1	ZINC000271580487	999714460	/nfs/dbraw/zinc/71/44/60/999714460.db2.gz	BSODSLKYPXHMSD-WCQYABFASA-N	1	0	358.446	1.190	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3nc(C)cn3c2)CC1	ZINC000271652721	999721409	/nfs/dbraw/zinc/72/14/09/999721409.db2.gz	MWQRPKSKQVPELG-UHFFFAOYSA-N	1	0	355.442	1.738	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)CC1	ZINC000271686774	999725049	/nfs/dbraw/zinc/72/50/49/999725049.db2.gz	QMAXJDBZZGLPAF-VQIMIIECSA-N	1	0	353.470	1.901	20	30		FDEDRO
N#CCC[C@@H](C#N)CN1C(=O)N[C@]2(CC[N@H+](Cc3ccccc3)C2)C1=O	ZINC000274368042	999738394	/nfs/dbraw/zinc/73/83/94/999738394.db2.gz	ZERUKZKWUFWYRO-LPHOPBHVSA-N	1	0	351.410	1.626	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N(C)CCn1cccn1)C(C)C	ZINC000283647871	999759298	/nfs/dbraw/zinc/75/92/98/999759298.db2.gz	AMTFLTGMYGWCHT-QGZVFWFLSA-N	1	0	361.490	1.156	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1	ZINC000284028330	999773538	/nfs/dbraw/zinc/77/35/38/999773538.db2.gz	IZSZGXCFZJBORB-LJQANCHMSA-N	1	0	372.513	1.516	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCCc2nc3ccccc3[nH]2)CC1	ZINC000284197549	999778927	/nfs/dbraw/zinc/77/89/27/999778927.db2.gz	VZGQGZHNVAXDIF-UHFFFAOYSA-N	1	0	369.469	1.378	20	30		FDEDRO
C=CCCCNC(=O)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000284381991	999820985	/nfs/dbraw/zinc/82/09/85/999820985.db2.gz	HDRKGEHFKAYSPC-CALCHBBNSA-N	1	0	373.497	1.994	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C)C(=O)NC1(C#N)CCCCC1	ZINC000285038919	999896912	/nfs/dbraw/zinc/89/69/12/999896912.db2.gz	IPLOVVGNMINCRR-CKEIUWERSA-N	1	0	372.473	1.013	20	30		FDEDRO
C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N(C)Cc1cccc(C#N)c1	ZINC000285156548	999903138	/nfs/dbraw/zinc/90/31/38/999903138.db2.gz	SYVUHNAWQDJCCS-BBWFWOEESA-N	1	0	370.497	1.999	20	30		FDEDRO
N#Cc1ncn(CC[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)n1	ZINC000285457623	999912862	/nfs/dbraw/zinc/91/28/62/999912862.db2.gz	JMNYYFYXMPBGEY-UHFFFAOYSA-N	1	0	364.409	1.347	20	30		FDEDRO
C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1[C@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000285890201	999923064	/nfs/dbraw/zinc/92/30/64/999923064.db2.gz	JZJABLQHWXZJHO-LZQZEXGQSA-N	1	0	354.454	1.459	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCN2c3ccccc3C[C@@H]2C)CC1	ZINC000285902451	999924032	/nfs/dbraw/zinc/92/40/32/999924032.db2.gz	CYAMNFUTSKDYDW-INIZCTEOSA-N	1	0	370.497	1.320	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CCOC)Cc2cccnc2)CC1	ZINC000286354618	999943965	/nfs/dbraw/zinc/94/39/65/999943965.db2.gz	BRFSMBRPRDIMNP-UHFFFAOYSA-N	1	0	374.485	1.213	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CCCO)Cc2ccccc2)CC1	ZINC000286369792	999944127	/nfs/dbraw/zinc/94/41/27/999944127.db2.gz	CGORXCYNEXHTJB-UHFFFAOYSA-N	1	0	373.497	1.554	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC(c3ncc[nH]3)CC2)CC1	ZINC000286480636	999944661	/nfs/dbraw/zinc/94/46/61/999944661.db2.gz	JFRWZSBVZSOFJE-UHFFFAOYSA-N	1	0	359.474	1.272	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000286658905	999945746	/nfs/dbraw/zinc/94/57/46/999945746.db2.gz	DZJFYWKLFFPDMF-FPOVZHCZSA-N	1	0	357.498	1.732	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3ccccc3C)CC2)CC1	ZINC000286692434	999946375	/nfs/dbraw/zinc/94/63/75/999946375.db2.gz	PMJHVAJTQFMPJE-UHFFFAOYSA-N	1	0	370.497	1.410	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](CCCO)c2ccccc2)CC1	ZINC000286826483	999951600	/nfs/dbraw/zinc/95/16/00/999951600.db2.gz	WWUCBWZIRNJBEB-GOSISDBHSA-N	1	0	359.470	1.383	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](COC)c2ccc(CC)o2)CC1	ZINC000286855324	999952967	/nfs/dbraw/zinc/95/29/67/999952967.db2.gz	ZCSGXKAOYWFBOE-MRXNPFEDSA-N	1	0	363.458	1.412	20	30		FDEDRO
C#CC[C@H](Cc1ccccc1)NC(=O)NC1CCN(CC[NH+](C)C)CC1	ZINC000287050243	999954349	/nfs/dbraw/zinc/95/43/49/999954349.db2.gz	KEERSDFWHUUQSN-HXUWFJFHSA-N	1	0	356.514	1.946	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1	ZINC000287304215	999956499	/nfs/dbraw/zinc/95/64/99/999956499.db2.gz	KPDIKRYWVPJUHQ-MSOLQXFVSA-N	1	0	371.481	1.810	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C	ZINC000288161637	999992184	/nfs/dbraw/zinc/99/21/84/999992184.db2.gz	MXSYIAGUXRFNRH-PBHICJAKSA-N	1	0	373.428	1.861	20	30		FDEDRO
CC(C)[C@](C)([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C(N)=O	ZINC000289320036	1000090369	/nfs/dbraw/zinc/09/03/69/1000090369.db2.gz	JYQBBXBKOUHSOA-SFHVURJKSA-N	1	0	354.414	1.172	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CCCCC[C@@H]([NH3+])C3)cc21	ZINC000927807894	1001068853	/nfs/dbraw/zinc/06/88/53/1001068853.db2.gz	LJJUXDMTEXRIDE-OAHLLOKOSA-N	1	0	355.442	1.891	20	30		FDEDRO
N#CCCc1ccc(NC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc1	ZINC000927812286	1001073614	/nfs/dbraw/zinc/07/36/14/1001073614.db2.gz	WKVAKLUBLJYBKA-CYBMUJFWSA-N	1	0	350.369	1.442	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1Cl	ZINC000927847906	1001112462	/nfs/dbraw/zinc/11/24/62/1001112462.db2.gz	OLCKXUSGGVJNNC-ZYHUDNBSSA-N	1	0	374.750	1.888	20	30		FDEDRO
N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c1	ZINC000927849523	1001116556	/nfs/dbraw/zinc/11/65/56/1001116556.db2.gz	TWOQVHFNWNZIEI-GXSJLCMTSA-N	1	0	374.750	1.888	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)ccc1Br	ZINC000927889214	1001186917	/nfs/dbraw/zinc/18/69/17/1001186917.db2.gz	OADGZUZFVAPALE-JTQLQIEISA-N	1	0	365.231	1.457	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNS(=O)(=O)CC	ZINC001110932904	1001203849	/nfs/dbraw/zinc/20/38/49/1001203849.db2.gz	CEAKAKMXACOZHK-HZMVEIRTSA-N	1	0	371.547	1.640	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2	ZINC000927926895	1001221600	/nfs/dbraw/zinc/22/16/00/1001221600.db2.gz	IHWLKLCUDGKLAP-LJQANCHMSA-N	1	0	357.458	1.798	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2	ZINC000927931083	1001226303	/nfs/dbraw/zinc/22/63/03/1001226303.db2.gz	WTVZSZOOYXGJNF-GOSISDBHSA-N	1	0	360.389	1.411	20	30		FDEDRO
C[N@@H+]1CC[C@H]1CNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000928568016	1001575773	/nfs/dbraw/zinc/57/57/73/1001575773.db2.gz	CUQAWGBIWLQWHR-AWEZNQCLSA-N	1	0	369.425	1.843	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Cc2ccc(NC(=O)C(F)(F)F)cc2)CC1	ZINC000928648272	1001606408	/nfs/dbraw/zinc/60/64/08/1001606408.db2.gz	IOEOLOVIBKVRED-UHFFFAOYSA-N	1	0	367.371	1.944	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CCc3nnc(-c4ccccc4)n3C2)CC1	ZINC000928650502	1001608683	/nfs/dbraw/zinc/60/86/83/1001608683.db2.gz	CZHVXZCYJPJBQJ-KRWDZBQOSA-N	1	0	363.465	1.721	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)CC1	ZINC000928654700	1001611308	/nfs/dbraw/zinc/61/13/08/1001611308.db2.gz	AKONJFRRCOQSKI-UHFFFAOYSA-N	1	0	353.466	1.753	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2c[nH]nc2-c2ccc3c(c2)OCO3)CC1	ZINC000928654318	1001611376	/nfs/dbraw/zinc/61/13/76/1001611376.db2.gz	WSRYZXNPTIOMCC-UHFFFAOYSA-N	1	0	352.394	1.633	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CNC(=O)c2ccccc2C(F)(F)F)CC1	ZINC000928656432	1001611760	/nfs/dbraw/zinc/61/17/60/1001611760.db2.gz	UOEGJFYADYPOAA-UHFFFAOYSA-N	1	0	367.371	1.649	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)CC1	ZINC000928657736	1001613270	/nfs/dbraw/zinc/61/32/70/1001613270.db2.gz	WJJHWPLAYZQFSF-UHFFFAOYSA-N	1	0	370.428	1.518	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccc(NS(=O)(=O)CCC)cc2)CC1	ZINC000928657829	1001613326	/nfs/dbraw/zinc/61/33/26/1001613326.db2.gz	ARUHTZYFSOHKDR-UHFFFAOYSA-N	1	0	363.483	1.666	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)CC1	ZINC000928658497	1001613852	/nfs/dbraw/zinc/61/38/52/1001613852.db2.gz	UZQLRGSMKSNKKN-ZDUSSCGKSA-N	1	0	361.364	1.364	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CN2C(=S)N=NC2c2ccc(C)cc2)CC1	ZINC000928658969	1001614506	/nfs/dbraw/zinc/61/45/06/1001614506.db2.gz	ABLOJERZPOBFHA-UHFFFAOYSA-N	1	0	369.494	1.756	20	30		FDEDRO
C[NH+](C)CCn1ccc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)n1	ZINC000928722221	1001637430	/nfs/dbraw/zinc/63/74/30/1001637430.db2.gz	RNWBFDVEEHAOFO-INIZCTEOSA-N	1	0	367.457	1.428	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCCN(c3ccnc(C#N)n3)C2)CC[N@@H+]1C	ZINC001110963509	1001794885	/nfs/dbraw/zinc/79/48/85/1001794885.db2.gz	FOANBEZTBQXPBT-CLCXKQKWSA-N	1	0	356.474	1.411	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCCO[C@@H]1CCCC[C@H]1C)C1CC[NH+](C)CC1	ZINC000929445013	1002065590	/nfs/dbraw/zinc/06/55/90/1002065590.db2.gz	ODBBPBFDOWFAIV-SJLPKXTDSA-N	1	0	363.502	1.254	20	30		FDEDRO
COCCCNC(=O)[C@@H](C)N1CC[NH+](CC2CCC(C#N)CC2)CC1	ZINC000929520074	1002159548	/nfs/dbraw/zinc/15/95/48/1002159548.db2.gz	CDQXFNNJOVBOQN-WWDZGPRUSA-N	1	0	350.507	1.475	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1	ZINC000929610103	1002262390	/nfs/dbraw/zinc/26/23/90/1002262390.db2.gz	WPLXRGCPHHGODL-UHFFFAOYSA-N	1	0	362.499	1.957	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CC(=O)N(C)C)CC1	ZINC000948385039	1002289285	/nfs/dbraw/zinc/28/92/85/1002289285.db2.gz	HQHGIBPOYBHHBH-BBWFWOEESA-N	1	0	351.491	1.369	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(NC(=O)C[NH+]2CCC(C)CC2)CC1	ZINC000948471726	1002377616	/nfs/dbraw/zinc/37/76/16/1002377616.db2.gz	BVGOKVGCVVQUCJ-MSOLQXFVSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CCc2ccnn2C)CC1	ZINC000948786388	1002691133	/nfs/dbraw/zinc/69/11/33/1002691133.db2.gz	YAWMTKOZRXPSAG-QRQLOZEOSA-N	1	0	360.502	1.867	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH+]ccc1N(C)C)C2	ZINC001111284492	1002738048	/nfs/dbraw/zinc/73/80/48/1002738048.db2.gz	ZZLBJZIDMGUDPO-MMNPAVHPSA-N	1	0	371.485	1.173	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1)[NH+]1CCCCCC1	ZINC000948982715	1002904041	/nfs/dbraw/zinc/90/40/41/1002904041.db2.gz	KMISYQILVRLYIK-RVKKMQEKSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(C(=O)C2CC[NH+](C)CC2)CC1	ZINC000949118645	1003009385	/nfs/dbraw/zinc/00/93/85/1003009385.db2.gz	FOCKTVRFKDVARL-MSOLQXFVSA-N	1	0	363.502	1.274	20	30		FDEDRO
Cn1cc(-c2nc3ccccn3c2NC(=O)NCC#CC[NH+](C)C)cn1	ZINC000930342761	1003036410	/nfs/dbraw/zinc/03/64/10/1003036410.db2.gz	MAJMXEBCZGFVPW-UHFFFAOYSA-N	1	0	351.414	1.421	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CCO2	ZINC000949199946	1003087447	/nfs/dbraw/zinc/08/74/47/1003087447.db2.gz	AXKOMORPAYGFBA-ZWKOTPCHSA-N	1	0	358.486	1.793	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNS(=O)(=O)CC	ZINC001110989762	1003095430	/nfs/dbraw/zinc/09/54/30/1003095430.db2.gz	VLCXDKTWJOHDCT-CBZIJGRNSA-N	1	0	371.547	1.640	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Nc1cnn(-c2cnc3ccccc3n2)c1	ZINC000930573054	1003282471	/nfs/dbraw/zinc/28/24/71/1003282471.db2.gz	VLADZVSWOFKWJW-UHFFFAOYSA-N	1	0	363.425	1.892	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](O)CC1(O)CCC(C(=O)OCC)CC1	ZINC000930645887	1003356537	/nfs/dbraw/zinc/35/65/37/1003356537.db2.gz	HKVCSGQLVSRXHH-CBYDULDESA-N	1	0	355.475	1.545	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2[nH]cnc2C)C1	ZINC000949503158	1003413648	/nfs/dbraw/zinc/41/36/48/1003413648.db2.gz	SMGJGYMYZOCALN-WNOSKKOXSA-N	1	0	360.458	1.205	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Nc1ccncc1I	ZINC000930746704	1003467753	/nfs/dbraw/zinc/46/77/53/1003467753.db2.gz	DPDQZHIEGIBICT-UHFFFAOYSA-N	1	0	372.210	1.185	20	30		FDEDRO
CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C1	ZINC000930823878	1003551447	/nfs/dbraw/zinc/55/14/47/1003551447.db2.gz	XLSRQCLOAQJRAW-IUCAKERBSA-N	1	0	372.256	1.935	20	30		FDEDRO
C[NH+]1CCC2(CCN2C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1	ZINC000930853297	1003586800	/nfs/dbraw/zinc/58/68/00/1003586800.db2.gz	RFVILBFOLMUTCK-UHFFFAOYSA-N	1	0	351.414	1.841	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1C[C@H](C(=O)OC)[C@@H](c2ccc(O)cc2)C1	ZINC000930903874	1003647989	/nfs/dbraw/zinc/64/79/89/1003647989.db2.gz	AOUGBBDMOBXTMQ-SJORKVTESA-N	1	0	359.426	1.343	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1C#N	ZINC000930956573	1003711267	/nfs/dbraw/zinc/71/12/67/1003711267.db2.gz	FQHWCAIQDFBMSH-MSOLQXFVSA-N	1	0	354.454	1.616	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3coc(C)c3)C2)CC1	ZINC000949864797	1003758871	/nfs/dbraw/zinc/75/88/71/1003758871.db2.gz	JSQYGPHOMDFUEO-RDTXWAMCSA-N	1	0	357.454	1.510	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](O)COCC(C)C)c1	ZINC001111001987	1003793224	/nfs/dbraw/zinc/79/32/24/1003793224.db2.gz	QAUPNGHLNDTGCV-WTGUMLROSA-N	1	0	371.481	1.432	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCC(C)(C)C(F)(F)CC)C1CC[NH+](C)CC1	ZINC000931071576	1003848561	/nfs/dbraw/zinc/84/85/61/1003848561.db2.gz	QTOYQTLYOCAEPP-UHFFFAOYSA-N	1	0	357.445	1.730	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)Nc2cc(N3CCNC3=O)ccc2C)C1	ZINC000931112943	1003898926	/nfs/dbraw/zinc/89/89/26/1003898926.db2.gz	LMKVNIDLXUKAMW-HNNXBMFYSA-N	1	0	355.442	1.744	20	30		FDEDRO
CC(C)[NH+]1CCC(CCNC(=O)C(=O)NCc2cc(C#N)ccc2F)CC1	ZINC000931119400	1003902213	/nfs/dbraw/zinc/90/22/13/1003902213.db2.gz	NHLWDLQGHAOVJB-UHFFFAOYSA-N	1	0	374.460	1.940	20	30		FDEDRO
C[C@H](CCC#N)[NH+]1CCN(CCNS(=O)(=O)c2ccccc2)CC1	ZINC000931128809	1003909366	/nfs/dbraw/zinc/90/93/66/1003909366.db2.gz	FDRHHMZVXKTAJN-MRXNPFEDSA-N	1	0	350.488	1.275	20	30		FDEDRO
C#CC1(O)CC[NH+](C[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)CC1	ZINC000931151886	1003926137	/nfs/dbraw/zinc/92/61/37/1003926137.db2.gz	YVZFUJXJGZKBJS-HNNXBMFYSA-N	1	0	350.459	1.615	20	30		FDEDRO
Cc1cc(NC2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCOCC2)c(C#N)cn1	ZINC001111005753	1003937913	/nfs/dbraw/zinc/93/79/13/1003937913.db2.gz	LGXQUFDVGHIVDD-NVXWUHKLSA-N	1	0	371.485	1.101	20	30		FDEDRO
N#CC1(C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CCSCC1	ZINC000931182837	1003943057	/nfs/dbraw/zinc/94/30/57/1003943057.db2.gz	WCNVNERFQCZBLQ-UHFFFAOYSA-N	1	0	351.516	1.984	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[NH+](CCCCCO)CC1	ZINC000931499935	1004219068	/nfs/dbraw/zinc/21/90/68/1004219068.db2.gz	HVJOPZIJWOWDPW-QGZVFWFLSA-N	1	0	350.507	1.498	20	30		FDEDRO
C#CCC1([NH2+]CCOCCN2C(=O)c3ccccc3C2=O)CCOCC1	ZINC000931762008	1004478123	/nfs/dbraw/zinc/47/81/23/1004478123.db2.gz	VWXSSIBCJHJBKA-UHFFFAOYSA-N	1	0	356.422	1.461	20	30		FDEDRO
N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CC[C@H](C2OCCO2)C1	ZINC000932002002	1004690764	/nfs/dbraw/zinc/69/07/64/1004690764.db2.gz	IBHZLJDXIONZMN-DZGCQCFKSA-N	1	0	364.405	1.918	20	30		FDEDRO
Cn1ccc([C@@H]2CCC[N@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)n1	ZINC000932131420	1004784675	/nfs/dbraw/zinc/78/46/75/1004784675.db2.gz	BQFSTZXTGYLLBM-MRXNPFEDSA-N	1	0	362.433	1.899	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCN(CC(F)(F)F)C2=O)CC1	ZINC000932142942	1004791884	/nfs/dbraw/zinc/79/18/84/1004791884.db2.gz	JVXNYKBZIORBPY-CQSZACIVSA-N	1	0	361.408	1.944	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=O)CCN2CCC[C@H](C#N)C2)CC1	ZINC000932154784	1004797643	/nfs/dbraw/zinc/79/76/43/1004797643.db2.gz	MXSYSBGCPAALOI-OAHLLOKOSA-N	1	0	350.463	1.691	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(C(=O)Nc3cnn(Cc4ccc(C#N)cc4)c3)[C@H]2C1	ZINC000932182987	1004813075	/nfs/dbraw/zinc/81/30/75/1004813075.db2.gz	OHTLRERSJYMAGH-AEFFLSMTSA-N	1	0	350.426	1.971	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1C#N	ZINC000932473847	1004976894	/nfs/dbraw/zinc/97/68/94/1004976894.db2.gz	QJCKSUKSEYIRBJ-HOCLYGCPSA-N	1	0	356.470	1.720	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1C#N	ZINC000932474597	1004977360	/nfs/dbraw/zinc/97/73/60/1004977360.db2.gz	YFEBQKNFBSHCBH-UHFFFAOYSA-N	1	0	363.421	1.227	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1	ZINC000932724218	1005127685	/nfs/dbraw/zinc/12/76/85/1005127685.db2.gz	XGWHSWXZALLTID-ZIAGYGMSSA-N	1	0	366.462	1.187	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)OCc1ccncc1)C2	ZINC001111040649	1005165949	/nfs/dbraw/zinc/16/59/49/1005165949.db2.gz	VGEOKSWQVKKJHQ-AITUJVMLSA-N	1	0	359.470	1.911	20	30		FDEDRO
N#Cc1c(NC(=O)CC[N@H+]2C3CCC2(C(N)=O)CC3)sc2c1CCC2	ZINC000932936748	1005255162	/nfs/dbraw/zinc/25/51/62/1005255162.db2.gz	WWULICLEMRLSMV-UHFFFAOYSA-N	1	0	358.467	1.919	20	30		FDEDRO
COC(=O)[C@@H]1CC[N@H+](CCC(=O)N(C)CCC#N)[C@H]([C@@H]2CCCO2)C1	ZINC000933183989	1005510685	/nfs/dbraw/zinc/51/06/85/1005510685.db2.gz	TYHNQZRBGNPZOX-PMPSAXMXSA-N	1	0	351.447	1.181	20	30		FDEDRO
CC(C)C[C@H]1C[N@H+](C)CCN1CC#CCN1C(=O)c2ccccc2C1=O	ZINC000933251845	1005526163	/nfs/dbraw/zinc/52/61/63/1005526163.db2.gz	KHLPARBZXAVIEW-KRWDZBQOSA-N	1	0	353.466	1.948	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH+]1CCC(c2ccc(S(N)(=O)=O)cc2)CC1	ZINC000933556613	1005579455	/nfs/dbraw/zinc/57/94/55/1005579455.db2.gz	ZZXIOMCBNPSOHQ-ZDUSSCGKSA-N	1	0	351.472	1.204	20	30		FDEDRO
C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC(c2ccc(C#N)cc2)CC1	ZINC000933613491	1005588949	/nfs/dbraw/zinc/58/89/49/1005588949.db2.gz	ZAXKTBUETNINOF-KXBFYZLASA-N	1	0	368.481	1.850	20	30		FDEDRO
CCOC(=O)C1([C@H](C)[NH2+]CC(=O)N(CC)C[C@H](C)C#N)CCOCC1	ZINC000933883379	1005653959	/nfs/dbraw/zinc/65/39/59/1005653959.db2.gz	YRMJIUFEPQNCPC-CABCVRRESA-N	1	0	353.463	1.333	20	30		FDEDRO
N#Cc1ccc(-c2nnc(CN3CC[C@H]4[C@H]3CCC[N@H+]4CCO)o2)cc1	ZINC000934263048	1005724740	/nfs/dbraw/zinc/72/47/40/1005724740.db2.gz	MVMFZACURYEXPN-SJORKVTESA-N	1	0	353.426	1.639	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@@H]4[C@@H]3CCCN4CCO)C2=O)cc1	ZINC000934265304	1005725732	/nfs/dbraw/zinc/72/57/32/1005725732.db2.gz	KWTUBFWPUDRFCK-AABGKKOBSA-N	1	0	368.481	1.585	20	30		FDEDRO
C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000934467693	1005749673	/nfs/dbraw/zinc/74/96/73/1005749673.db2.gz	YPTMRYWETABEGV-UMVBOHGHSA-N	1	0	351.472	1.550	20	30		FDEDRO
C[C@](CO)([NH2+]CC(=O)NC1(C#N)CCC1)c1cccc(Br)c1	ZINC000934494983	1005752369	/nfs/dbraw/zinc/75/23/69/1005752369.db2.gz	MUVNVHYUUSMUFZ-OAHLLOKOSA-N	1	0	366.259	1.809	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1	ZINC000935192908	1005864805	/nfs/dbraw/zinc/86/48/05/1005864805.db2.gz	CWGFYXDHAACDDB-UHFFFAOYSA-N	1	0	372.469	1.870	20	30		FDEDRO
C=CCOC[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)o1)C(=O)OC	ZINC000935777997	1006011475	/nfs/dbraw/zinc/01/14/75/1006011475.db2.gz	ZIUPPGSRUMKQJQ-HNNXBMFYSA-N	1	0	350.415	1.740	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](NC(=O)COC)C(C)C)C2	ZINC001111117438	1006282846	/nfs/dbraw/zinc/28/28/46/1006282846.db2.gz	WEMKVPGUSXUVLJ-CBZIJGRNSA-N	1	0	351.491	1.461	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)NC[C@@H](C(CC)CC)N2CCOCC2)c1	ZINC000041320429	1006402621	/nfs/dbraw/zinc/40/26/21/1006402621.db2.gz	PKNSCQPIKVOMPU-IBGZPJMESA-N	1	0	371.481	1.860	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C(F)(F)F)n[nH]1)C2	ZINC001111142610	1006426616	/nfs/dbraw/zinc/42/66/16/1006426616.db2.gz	NQJPSAGPWDQCGZ-WZRBSPASSA-N	1	0	358.364	1.966	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn3cccc(OC)c13)C2	ZINC001111152980	1006489526	/nfs/dbraw/zinc/48/95/26/1006489526.db2.gz	DHEQQUBAZKVXPA-OIISXLGYSA-N	1	0	370.453	1.881	20	30		FDEDRO
CS(=O)(=O)CC1(CO[NH+]=Cc2ccc(N3CCOCC3)cc2)CC1	ZINC000778589477	1006525347	/nfs/dbraw/zinc/52/53/47/1006525347.db2.gz	NODMTFIEFRCBNQ-UHFFFAOYSA-N	1	0	352.456	1.699	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CC(=O)NC1=O)C2	ZINC001111162973	1006547976	/nfs/dbraw/zinc/54/79/76/1006547976.db2.gz	UXDALYWFCUYLIW-KFWWJZLASA-N	1	0	350.463	1.230	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(C)C(=O)CC2CC[NH+](C)CC2)C1	ZINC000954269459	1006583323	/nfs/dbraw/zinc/58/33/23/1006583323.db2.gz	ZEZGYPVAEINAIF-HKUYNNGSSA-N	1	0	363.502	1.369	20	30		FDEDRO
N#Cc1ccc(C2(NC(=O)C3C[C@@H]4C[NH2+]C[C@H](C3)C4=O)CCOCC2)cc1	ZINC000638682054	1006619484	/nfs/dbraw/zinc/61/94/84/1006619484.db2.gz	RZQIEXGQIHGVFZ-ALOPSCKCSA-N	1	0	367.449	1.495	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1	ZINC000954380990	1006652158	/nfs/dbraw/zinc/65/21/58/1006652158.db2.gz	RKWOKTDKESLHJQ-BZSNNMDCSA-N	1	0	365.518	1.613	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N[C@@H]1CCCN(c2ncccn2)C1	ZINC000246599427	1007247998	/nfs/dbraw/zinc/24/79/98/1007247998.db2.gz	ZLZRHUNMKGOPNS-YYIAUSFCSA-N	1	0	372.517	1.814	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000957012637	1007521782	/nfs/dbraw/zinc/52/17/82/1007521782.db2.gz	LZVJBLXGUIOURB-ZWDAVXSWSA-N	1	0	367.493	1.658	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1	ZINC000947522375	1007674235	/nfs/dbraw/zinc/67/42/35/1007674235.db2.gz	KROPPQIVEODOFF-IKGGRYGDSA-N	1	0	351.491	1.415	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cn1	ZINC000947631894	1007762994	/nfs/dbraw/zinc/76/29/94/1007762994.db2.gz	QVUORBLJYXRPAJ-RDTXWAMCSA-N	1	0	354.454	1.124	20	30		FDEDRO
COC(=O)CCCCCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000305047658	1008610032	/nfs/dbraw/zinc/61/00/32/1008610032.db2.gz	YUAZOGPQKRQDPI-CQSZACIVSA-N	1	0	368.478	1.600	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2C)nc1	ZINC000950003730	1008634220	/nfs/dbraw/zinc/63/42/20/1008634220.db2.gz	LPIXPJJDZNDFRO-OLMNPRSZSA-N	1	0	356.470	1.226	20	30		FDEDRO
C=CCOc1cc(OC)ccc1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C	ZINC000649071596	1008864493	/nfs/dbraw/zinc/86/44/93/1008864493.db2.gz	NNKKEUXGBAGNDA-AWEZNQCLSA-N	1	0	361.442	1.452	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000779369078	1008893387	/nfs/dbraw/zinc/89/33/87/1008893387.db2.gz	HURCPWHPERPILH-PZJWPPBQSA-N	1	0	355.482	1.179	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)cn1	ZINC000950254607	1008963943	/nfs/dbraw/zinc/96/39/43/1008963943.db2.gz	XHVFTALHFRVUSK-OKZBNKHCSA-N	1	0	354.454	1.124	20	30		FDEDRO
CCc1noc(C2CCC([NH2+]CCNC(=O)C3N=CC=CC3=O)CC2)n1	ZINC000779414266	1009104841	/nfs/dbraw/zinc/10/48/41/1009104841.db2.gz	WSKUAYAUWFYVPJ-MSUUIHNZSA-N	1	0	359.430	1.774	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC000960034447	1009358377	/nfs/dbraw/zinc/35/83/77/1009358377.db2.gz	ZWKHJIQHJUEVKH-SNRMKQJTSA-N	1	0	357.454	1.833	20	30		FDEDRO
N#Cc1ccccc1C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1	ZINC000960129997	1009560259	/nfs/dbraw/zinc/56/02/59/1009560259.db2.gz	CRKBRFCHJUMOAG-OKZBNKHCSA-N	1	0	370.453	1.062	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000303782555	1009581332	/nfs/dbraw/zinc/58/13/32/1009581332.db2.gz	NJESPUGYVKYHDE-HUUCEWRRSA-N	1	0	369.510	1.011	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH+]1CCC(Nc2nccc(C)n2)CC1	ZINC001111321677	1009598980	/nfs/dbraw/zinc/59/89/80/1009598980.db2.gz	YQBSZWXRGDQLOG-SJORKVTESA-N	1	0	359.474	1.369	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cnnn3)cn1)C2	ZINC001095811147	1009620488	/nfs/dbraw/zinc/62/04/88/1009620488.db2.gz	DVTYLCMJZDNSAK-COXVUDFISA-N	1	0	353.430	1.359	20	30		FDEDRO
C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1	ZINC000647876195	1009976944	/nfs/dbraw/zinc/97/69/44/1009976944.db2.gz	RIQQEMPUNABZCM-GDBMZVCRSA-N	1	0	356.426	1.625	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1	ZINC000960575979	1010404212	/nfs/dbraw/zinc/40/42/12/1010404212.db2.gz	NCBDJBMOKQBADX-SQGPQFPESA-N	1	0	363.502	1.369	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NCc2cccc(OCC(N)=O)c2)cc1OC	ZINC000304743494	1010476285	/nfs/dbraw/zinc/47/62/85/1010476285.db2.gz	DCVWYNSNYCQLHT-UHFFFAOYSA-N	1	0	358.398	1.495	20	30		FDEDRO
[NH2+]=C(NCCCOC[C@H]1CCOC1)N1CCN(c2ccc(F)cc2)CC1	ZINC000304752733	1010477816	/nfs/dbraw/zinc/47/78/16/1010477816.db2.gz	KNDRFOHWEAGNGY-MRXNPFEDSA-N	1	0	364.465	1.706	20	30		FDEDRO
N#Cc1c(N)n[nH]c1CCCNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1	ZINC000304782904	1010489342	/nfs/dbraw/zinc/48/93/42/1010489342.db2.gz	GYMOIKXLMXJOQG-UHFFFAOYSA-N	1	0	370.436	1.072	20	30		FDEDRO
[NH2+]=C(NCCCOC1CCOCC1)N1CCN(c2ccc(F)cc2)CC1	ZINC000304809328	1010498431	/nfs/dbraw/zinc/49/84/31/1010498431.db2.gz	VKEFEWQDQWZUCN-UHFFFAOYSA-N	1	0	364.465	1.848	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@]2(CO)CCCN(c3ccc(C#N)cn3)C2)CC[N@@H+]1C	ZINC001111371563	1010830847	/nfs/dbraw/zinc/83/08/47/1010830847.db2.gz	JKUUZMBPTCKZEQ-QKLQHJQFSA-N	1	0	371.485	1.131	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nccnc1C(N)=O)C2	ZINC001111372341	1010834162	/nfs/dbraw/zinc/83/41/62/1010834162.db2.gz	QMCSEMKEOSFOSQ-KFWWJZLASA-N	1	0	357.458	1.657	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1occc1C[NH+](C)C	ZINC000952174753	1011370190	/nfs/dbraw/zinc/37/01/90/1011370190.db2.gz	SEYIIULNIKOPHU-OAGGEKHMSA-N	1	0	361.442	1.263	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@H]3[C@H]2CCCN3C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC000962876751	1011656999	/nfs/dbraw/zinc/65/69/99/1011656999.db2.gz	MTQZXGHILUNMRS-MOIQIXESSA-N	1	0	369.469	1.432	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3OCCN(C(=O)C[N@H+]4CC[C@@H](C)C4)[C@H]3C2)C1	ZINC000960953151	1011757002	/nfs/dbraw/zinc/75/70/02/1011757002.db2.gz	FOMRGUWFHZJRLT-HYVNUMGLSA-N	1	0	361.486	1.123	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@@H](O)C1	ZINC000963017592	1011759086	/nfs/dbraw/zinc/75/90/86/1011759086.db2.gz	DUUZCJKNBNUKDE-BBWFWOEESA-N	1	0	365.518	1.541	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C	ZINC000952804903	1012053453	/nfs/dbraw/zinc/05/34/53/1012053453.db2.gz	USQKAFRUHCBNHZ-WKULXVSPSA-N	1	0	361.486	1.264	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H]2CCCN3C(=O)[C@@H]2C[C@H]2CC)CC1	ZINC000963589239	1012443323	/nfs/dbraw/zinc/44/33/23/1012443323.db2.gz	DKMYSRQLQONHBA-VBSBHUPXSA-N	1	0	371.525	1.970	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC3(C[C@H]3NC(=O)c3ccc(C#N)[nH]3)CC2)CC[N@@H+]1C	ZINC000963637003	1012517047	/nfs/dbraw/zinc/51/70/47/1012517047.db2.gz	APTJBGBSXWYOLE-FRFSOERESA-N	1	0	369.469	1.337	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000953818150	1012529941	/nfs/dbraw/zinc/52/99/41/1012529941.db2.gz	MEEWYNFIIBAUBF-KURKYZTESA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2nnnn2CCC)C1	ZINC000961853177	1012945379	/nfs/dbraw/zinc/94/53/79/1012945379.db2.gz	LOCHWHYTIVQSRQ-FJBKBRRZSA-N	1	0	362.478	1.049	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)C2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)CC[N@@H+]1C	ZINC000953979656	1013024073	/nfs/dbraw/zinc/02/40/73/1013024073.db2.gz	PWDRLDLMRNOBJW-FUHWJXTLSA-N	1	0	371.485	1.680	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC1([NH+](C)C)CCOCC1	ZINC000507003073	538909596	/nfs/dbraw/zinc/90/95/96/538909596.db2.gz	ROIXWTVFUUVKQT-UHFFFAOYSA-N	1	0	374.441	1.122	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000192220500	178103521	/nfs/dbraw/zinc/10/35/21/178103521.db2.gz	WCIGQZMRCJZVBP-GOSISDBHSA-N	1	0	352.438	1.918	20	30		FDEDRO
C[C@@H](O)C[N@@H+]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](C)C1	ZINC000192826295	178134626	/nfs/dbraw/zinc/13/46/26/178134626.db2.gz	QSWOXMCJSALRRI-GPMSIDNRSA-N	1	0	356.470	1.441	20	30		FDEDRO
C[NH+]1CCC(CCNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1	ZINC000192986573	178141386	/nfs/dbraw/zinc/14/13/86/178141386.db2.gz	IHPSAMFEUUCTDU-UHFFFAOYSA-N	1	0	359.474	1.901	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccnc2N2CCCCC2)CC1	ZINC000509188669	538944519	/nfs/dbraw/zinc/94/45/19/538944519.db2.gz	YSXRJLVNVJEDQC-UHFFFAOYSA-N	1	0	371.485	1.777	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000245792350	178381935	/nfs/dbraw/zinc/38/19/35/178381935.db2.gz	CIZSCSFKODJOAP-VQTJNVASSA-N	1	0	372.513	1.400	20	30		FDEDRO
C[C@@H]([NH2+]C1(CNC(=O)NCC(=O)NCC#N)CCCC1)c1ccccc1	ZINC000511894723	538965251	/nfs/dbraw/zinc/96/52/51/538965251.db2.gz	DHOKKBKPQRPXMD-OAHLLOKOSA-N	1	0	357.458	1.589	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1	ZINC000513119078	538986104	/nfs/dbraw/zinc/98/61/04/538986104.db2.gz	UADYZERDYVQXRI-ZDUSSCGKSA-N	1	0	372.404	1.725	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)CC1	ZINC000513202882	538989782	/nfs/dbraw/zinc/98/97/82/538989782.db2.gz	VGDBOSIRQVKAGQ-CQSZACIVSA-N	1	0	373.501	1.351	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CCC(=O)N2CCc3sccc3C2)CC1	ZINC000517581455	539372512	/nfs/dbraw/zinc/37/25/12/539372512.db2.gz	QMAJQHLIFKMIDS-UHFFFAOYSA-N	1	0	360.483	1.517	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CCCN(C3CC[NH+](CC)CC3)CC2)nn1	ZINC000519824559	539501157	/nfs/dbraw/zinc/50/11/57/539501157.db2.gz	WNOYXEAHNWMPHZ-UHFFFAOYSA-N	1	0	360.506	1.486	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)C[C@@H]21	ZINC000519745550	539498028	/nfs/dbraw/zinc/49/80/28/539498028.db2.gz	GIKJIFTXNKSAQZ-IKGGRYGDSA-N	1	0	373.526	1.093	20	30		FDEDRO
COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CCC(=O)Nc2ccccc2C#N)C1	ZINC000264227650	179054488	/nfs/dbraw/zinc/05/44/88/179054488.db2.gz	QTRJCKMEUWPWPT-RDJZCZTQSA-N	1	0	372.469	1.750	20	30		FDEDRO
COC(=O)NCCCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000264466555	179116000	/nfs/dbraw/zinc/11/60/00/179116000.db2.gz	UCWUZDMVKLBNJX-UHFFFAOYSA-N	1	0	358.442	1.729	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)CCCOc2ccc(C#N)cc2OC)C1	ZINC000264440117	179108666	/nfs/dbraw/zinc/10/86/66/179108666.db2.gz	BPWTYTOMGHQPKN-INIZCTEOSA-N	1	0	361.442	1.563	20	30		FDEDRO
CC[N@H+](CCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(C)C	ZINC000522607322	539570394	/nfs/dbraw/zinc/57/03/94/539570394.db2.gz	BFEZXGZXPZCZKL-UHFFFAOYSA-N	1	0	366.487	1.339	20	30		FDEDRO
CC(C)OCCOC[C@H](O)CN(C)[C@@H](C)C(=O)Nc1cccc(C#N)c1	ZINC000265443565	179378706	/nfs/dbraw/zinc/37/87/06/179378706.db2.gz	ACEMBSQICHWOEH-MAUKXSAKSA-N	1	0	363.458	1.620	20	30		FDEDRO
COC(=O)CCCS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000265478907	179387429	/nfs/dbraw/zinc/38/74/29/179387429.db2.gz	KWUUCWAGFYTGBR-UHFFFAOYSA-N	1	0	367.471	1.205	20	30		FDEDRO
C=CC[N@@H+](CCCS(=O)(=O)NC)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000523856076	539624642	/nfs/dbraw/zinc/62/46/42/539624642.db2.gz	BBYSZMBIAWZFFS-CQSZACIVSA-N	1	0	364.475	1.151	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000268191218	180020732	/nfs/dbraw/zinc/02/07/32/180020732.db2.gz	PQVBQLDJQQQJQX-WBMJQRKESA-N	1	0	356.426	1.494	20	30		FDEDRO
C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)Cc2ccc(C#N)nc2)CC1	ZINC000528331848	539749443	/nfs/dbraw/zinc/74/94/43/539749443.db2.gz	USZIYQMVNXYECK-IRXDYDNUSA-N	1	0	355.486	1.513	20	30		FDEDRO
C[C@@H]1C[N@H+](CCOc2cccc(C#N)c2)CCN1c1nccn2cnnc12	ZINC000269613142	180340970	/nfs/dbraw/zinc/34/09/70/180340970.db2.gz	BXPACOAHAMSKRP-OAHLLOKOSA-N	1	0	363.425	1.585	20	30		FDEDRO
CCOC(=O)CNC(=O)C1CC[NH+](CCOc2cccc(C#N)c2)CC1	ZINC000269701677	180366055	/nfs/dbraw/zinc/36/60/55/180366055.db2.gz	YMBLNMLJQFSJTR-UHFFFAOYSA-N	1	0	359.426	1.328	20	30		FDEDRO
CCOC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)cc1C#N	ZINC000269792432	180390485	/nfs/dbraw/zinc/39/04/85/180390485.db2.gz	HJXRVDVTLAQURA-LLVKDONJSA-N	1	0	361.402	1.131	20	30		FDEDRO
Cn1nccc1N1CCC[C@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)C1	ZINC000530234630	539916496	/nfs/dbraw/zinc/91/64/96/539916496.db2.gz	SBGGMIJJSLZHSP-DLBZAZTESA-N	1	0	355.442	1.290	20	30		FDEDRO
Cc1cc(N2CCC[C@H]([NH2+]C[C@H](O)COc3ccccc3C#N)C2)n(C)n1	ZINC000530234644	539916673	/nfs/dbraw/zinc/91/66/73/539916673.db2.gz	SETHTKQVUOSUPA-ROUUACIJSA-N	1	0	369.469	1.599	20	30		FDEDRO
Cn1cc(N2CCC[C@H]([NH2+]C[C@@H](O)COc3ccccc3C#N)C2)cn1	ZINC000530230200	539914506	/nfs/dbraw/zinc/91/45/06/539914506.db2.gz	FLACLJSQZVOFDB-FUHWJXTLSA-N	1	0	355.442	1.290	20	30		FDEDRO
CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000274065032	181020346	/nfs/dbraw/zinc/02/03/46/181020346.db2.gz	QSWQVWFQRYGQII-KBPBESRZSA-N	1	0	369.425	1.860	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087198187	781931524	/nfs/dbraw/zinc/93/15/24/781931524.db2.gz	AVULBZOKTSHEMV-FHLIZLRMSA-N	1	0	354.454	1.411	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)C(C)C	ZINC000268448515	674089297	/nfs/dbraw/zinc/08/92/97/674089297.db2.gz	LXNOEJBEQBVBSZ-ARFHVFGLSA-N	1	0	352.479	1.017	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)n(CCC#N)n1	ZINC000533321928	540232003	/nfs/dbraw/zinc/23/20/03/540232003.db2.gz	TXBTVFCDZMCZKD-HNNXBMFYSA-N	1	0	360.462	1.280	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)n(CCC#N)n1	ZINC000533329770	540233265	/nfs/dbraw/zinc/23/32/65/540233265.db2.gz	ISBNANSHADGDFL-CYBMUJFWSA-N	1	0	374.470	1.524	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)n(CCC#N)n1	ZINC000533454738	540249856	/nfs/dbraw/zinc/24/98/56/540249856.db2.gz	QXSNTLGZFSRUKB-MRXNPFEDSA-N	1	0	372.473	1.521	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CCC(=O)Nc1cc(N)ccc1F	ZINC000535545479	540481808	/nfs/dbraw/zinc/48/18/08/540481808.db2.gz	ITOOAYWKHADJSA-UHFFFAOYSA-N	1	0	359.409	1.478	20	30		FDEDRO
Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]CC(=O)NCc1ccc(C#N)cc1	ZINC000275365907	181300989	/nfs/dbraw/zinc/30/09/89/181300989.db2.gz	WIJXLBXQSLKACZ-PXNSSMCTSA-N	1	0	367.453	1.645	20	30		FDEDRO
C=CC[C@H](CO)CNC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1	ZINC000538210145	540825211	/nfs/dbraw/zinc/82/52/11/540825211.db2.gz	CZQCQVJIKWYMQU-INIZCTEOSA-N	1	0	361.486	1.627	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1	ZINC000538556595	540867912	/nfs/dbraw/zinc/86/79/12/540867912.db2.gz	GNMXFNWNACLYTL-AEFFLSMTSA-N	1	0	358.486	1.889	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1	ZINC000539373685	540952252	/nfs/dbraw/zinc/95/22/52/540952252.db2.gz	RWCZPKBACUARES-UHFFFAOYSA-N	1	0	360.458	1.176	20	30		FDEDRO
CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1C	ZINC000539597499	540976659	/nfs/dbraw/zinc/97/66/59/540976659.db2.gz	NJBNKJYSILDACL-NSHDSACASA-N	1	0	371.462	1.277	20	30		FDEDRO
C=CC[C@H](CO)CNC(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1	ZINC000540388916	541053377	/nfs/dbraw/zinc/05/33/77/541053377.db2.gz	ZTRKOCZLUBZHAK-IBGZPJMESA-N	1	0	374.529	1.991	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2	ZINC000540456557	541062309	/nfs/dbraw/zinc/06/23/09/541062309.db2.gz	MWSLDVFDHVXUDA-SMDDNHRTSA-N	1	0	360.414	1.459	20	30		FDEDRO
CC(C)[N@@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C[C@@H](C)O	ZINC000540551033	541073995	/nfs/dbraw/zinc/07/39/95/541073995.db2.gz	XSVMWDLCHOTCIV-HZPDHXFCSA-N	1	0	364.515	1.548	20	30		FDEDRO
C[C@@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1C#N)[N@@H+]1CCC[C@@H](C)C1	ZINC000540967673	541126248	/nfs/dbraw/zinc/12/62/48/541126248.db2.gz	MHMCMBYKZMYBPZ-KGLIPLIRSA-N	1	0	361.494	1.558	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N=c2cc(C)n([C@@H](C)C3CC3)[nH]2)CC1	ZINC000541362558	541194916	/nfs/dbraw/zinc/19/49/16/541194916.db2.gz	GQNVJWKUZGXLQY-AWEZNQCLSA-N	1	0	359.474	1.868	20	30		FDEDRO
C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)NCCCC#N)CC1	ZINC000541519951	541222666	/nfs/dbraw/zinc/22/26/66/541222666.db2.gz	SBKGASLWDNHWES-UHFFFAOYSA-N	1	0	351.495	1.416	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCC1([NH+](C)C)CCC1	ZINC000275939748	181458693	/nfs/dbraw/zinc/45/86/93/181458693.db2.gz	ZAKSLEUKDIRFJZ-UHFFFAOYSA-N	1	0	358.442	1.884	20	30		FDEDRO
C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN(c2cccc(C#N)n2)CC1	ZINC000544852013	541843105	/nfs/dbraw/zinc/84/31/05/541843105.db2.gz	AAGOITDPHMTOHH-INIZCTEOSA-N	1	0	356.474	1.659	20	30		FDEDRO
COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2C[C@H](O)COc2ccc(C#N)cc2)O1	ZINC000282497073	182020301	/nfs/dbraw/zinc/02/03/01/182020301.db2.gz	QKISICOUAZDUMJ-KZJGEROZSA-N	1	0	374.437	1.481	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1	ZINC000283253771	182140958	/nfs/dbraw/zinc/14/09/58/182140958.db2.gz	BJPFJCSCQAWENR-LJQANCHMSA-N	1	0	362.433	1.565	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1	ZINC000545295597	541928260	/nfs/dbraw/zinc/92/82/60/541928260.db2.gz	DKXHSSFNWNMQIF-HNNXBMFYSA-N	1	0	374.441	1.075	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)c1ccc(C#N)cc1	ZINC000284174566	182389272	/nfs/dbraw/zinc/38/92/72/182389272.db2.gz	ZBMHXISRBMNXPK-HNAYVOBHSA-N	1	0	368.481	1.926	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1	ZINC000546003759	542072556	/nfs/dbraw/zinc/07/25/56/542072556.db2.gz	ZMOZJXLTVHTAEU-INIZCTEOSA-N	1	0	370.453	1.696	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)CC2)n1	ZINC000546219754	542128099	/nfs/dbraw/zinc/12/80/99/542128099.db2.gz	KLVHZACVUFOZNT-KRWDZBQOSA-N	1	0	368.485	1.802	20	30		FDEDRO
CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)c1ccc(C#N)[nH]1	ZINC000286209004	183014678	/nfs/dbraw/zinc/01/46/78/183014678.db2.gz	SCKLVLZJUDELRJ-UHFFFAOYSA-N	1	0	351.454	1.776	20	30		FDEDRO
CC1(C)COCCN1CCNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000286211600	183015286	/nfs/dbraw/zinc/01/52/86/183015286.db2.gz	SHEXZUNTPPKHTO-MRXNPFEDSA-N	1	0	374.460	1.751	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1	ZINC000286436530	183065668	/nfs/dbraw/zinc/06/56/68/183065668.db2.gz	RALLWSWAVHOKFW-UHFFFAOYSA-N	1	0	363.418	1.425	20	30		FDEDRO
CC[NH+](CC)Cc1ccc(CNC(=O)NCCn2cnc(C#N)n2)cc1	ZINC000286485305	183078632	/nfs/dbraw/zinc/07/86/32/183078632.db2.gz	JMWSPFSFLVSPJC-UHFFFAOYSA-N	1	0	355.446	1.491	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)n1	ZINC000286529456	183088936	/nfs/dbraw/zinc/08/89/36/183088936.db2.gz	BMYBWNUVMGQYGH-INIZCTEOSA-N	1	0	353.430	1.114	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1	ZINC000286693166	183129380	/nfs/dbraw/zinc/12/93/80/183129380.db2.gz	VZUANQYHGIPCKS-FMKPAKJESA-N	1	0	358.360	1.791	20	30		FDEDRO
C[C@@H](CCNC(=O)NCCn1cnc(C#N)n1)[N@H+](C)Cc1ccccc1	ZINC000286697364	183130069	/nfs/dbraw/zinc/13/00/69/183130069.db2.gz	NPYDPOKJURAKKK-HNNXBMFYSA-N	1	0	355.446	1.360	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)o2)[C@H](C)C1	ZINC000286940942	183177726	/nfs/dbraw/zinc/17/77/26/183177726.db2.gz	QIOUUBTUNWTOFI-UKRRQHHQSA-N	1	0	355.460	1.567	20	30		FDEDRO
C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)C1	ZINC000286898866	183169461	/nfs/dbraw/zinc/16/94/61/183169461.db2.gz	OAMAQTUYUHQHCR-NSHDSACASA-N	1	0	372.288	1.893	20	30		FDEDRO
CN(C(=O)NCCn1cnc(C#N)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000287775299	183380404	/nfs/dbraw/zinc/38/04/04/183380404.db2.gz	GSQQMVLGXKYFGW-INIZCTEOSA-N	1	0	353.430	1.066	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000546777675	542223660	/nfs/dbraw/zinc/22/36/60/542223660.db2.gz	SGCGKHZUQQGDRB-IAGOWNOFSA-N	1	0	368.547	1.358	20	30		FDEDRO
CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000292177090	183874998	/nfs/dbraw/zinc/87/49/98/183874998.db2.gz	AJKQTAXVOUUJKK-QAPCUYQASA-N	1	0	371.485	1.687	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cnc(C(F)(F)F)c(C#N)c1	ZINC000294698361	184002130	/nfs/dbraw/zinc/00/21/30/184002130.db2.gz	VTTZGWKKWGHUIW-LLVKDONJSA-N	1	0	370.375	1.889	20	30		FDEDRO
N#Cc1cc(C(=O)NCCC[NH+]2CCC(O)CC2)cnc1C(F)(F)F	ZINC000294935656	184020945	/nfs/dbraw/zinc/02/09/45/184020945.db2.gz	HQNCCOJOKZXIEA-UHFFFAOYSA-N	1	0	356.348	1.549	20	30		FDEDRO
C[NH+](C)CCCNS(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000295324072	184059552	/nfs/dbraw/zinc/05/95/52/184059552.db2.gz	OLDOGCBLIMSVHD-UHFFFAOYSA-N	1	0	364.240	1.690	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](C(=O)N[C@H]3CCC[N@@H+](CCCO)C3)C2)c(F)c1	ZINC000295459988	184074039	/nfs/dbraw/zinc/07/40/39/184074039.db2.gz	MRRJLTJOLYMWME-IRXDYDNUSA-N	1	0	374.460	1.487	20	30		FDEDRO
CN(CCCN1CC[NH+](C)CC1)c1ncc(Br)cc1C#N	ZINC000297065957	184231385	/nfs/dbraw/zinc/23/13/85/184231385.db2.gz	JFJURKVZNAWKSN-UHFFFAOYSA-N	1	0	352.280	1.789	20	30		FDEDRO
N#Cc1cc(Br)cnc1N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000297562226	184287474	/nfs/dbraw/zinc/28/74/74/184287474.db2.gz	ROKRIROHXBJZKY-GFCCVEGCSA-N	1	0	351.248	1.874	20	30		FDEDRO
CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(C#N)cc2)C1	ZINC000297952131	184361936	/nfs/dbraw/zinc/36/19/36/184361936.db2.gz	RZJXMNRNFZCNHA-SFHVURJKSA-N	1	0	356.470	1.707	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]21	ZINC000972073193	781979383	/nfs/dbraw/zinc/97/93/83/781979383.db2.gz	LJDMIPGDWYADOP-QZTJIDSGSA-N	1	0	355.482	1.335	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1CC	ZINC000172310545	258273452	/nfs/dbraw/zinc/27/34/52/258273452.db2.gz	JPOSWXWEZIDQIL-HNNXBMFYSA-N	1	0	358.442	1.886	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)CC1CCOCC1	ZINC000173074497	258290735	/nfs/dbraw/zinc/29/07/35/258290735.db2.gz	KSSLYCMUPVNBQQ-UHFFFAOYSA-N	1	0	365.499	1.678	20	30		FDEDRO
N#CCC[C@@H](C#N)CNCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000548786924	542778786	/nfs/dbraw/zinc/77/87/86/542778786.db2.gz	GMCYIDCUORPLDL-RBUKOAKNSA-N	1	0	353.470	1.917	20	30		FDEDRO
N#CCC[C@H](C#N)CNCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000548786925	542778862	/nfs/dbraw/zinc/77/88/62/542778862.db2.gz	GMCYIDCUORPLDL-RTBURBONSA-N	1	0	353.470	1.917	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]Cc2ccc3c(c2)OCCO3)c1	ZINC000548908249	542803351	/nfs/dbraw/zinc/80/33/51/542803351.db2.gz	QURRCAQIRDOWFW-UHFFFAOYSA-N	1	0	358.419	1.893	20	30		FDEDRO
C[C@@H]1CN(CCC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C[C@H](C)O1	ZINC000549111148	542838398	/nfs/dbraw/zinc/83/83/98/542838398.db2.gz	NWHNAVZHCXAWIT-IYBDPMFKSA-N	1	0	365.499	1.421	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)C(=O)Nc2sccc2C#N)CC1	ZINC000550366434	543082325	/nfs/dbraw/zinc/08/23/25/543082325.db2.gz	FEQBLJDJCNJGCD-UHFFFAOYSA-N	1	0	350.444	1.175	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1	ZINC000550563975	543127420	/nfs/dbraw/zinc/12/74/20/543127420.db2.gz	AYUMEOCHMXLSFS-MAUKXSAKSA-N	1	0	363.502	1.607	20	30		FDEDRO
COc1ccc(CNC(=O)CNCc2cnc3c(C#N)cnn3c2)cc1	ZINC000550839740	543185088	/nfs/dbraw/zinc/18/50/88/543185088.db2.gz	DMDLHCUJOGWFLX-UHFFFAOYSA-N	1	0	350.382	1.016	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CCC(C#N)CC2)cc1	ZINC000550872486	543191813	/nfs/dbraw/zinc/19/18/13/543191813.db2.gz	YBIKMKUGDBMSBA-UHFFFAOYSA-N	1	0	358.442	1.005	20	30		FDEDRO
C=CCCCNC(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000551058280	543226436	/nfs/dbraw/zinc/22/64/36/543226436.db2.gz	ICTFANIYVMGNEZ-GOSISDBHSA-N	1	0	358.486	1.174	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](C[NH+](C)C)c1ccc(OC)cc1	ZINC000551226041	543255727	/nfs/dbraw/zinc/25/57/27/543255727.db2.gz	ZRFDAVREANLBQV-PBHICJAKSA-N	1	0	368.503	1.614	20	30		FDEDRO
Cn1ccnc1CN1CCC[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)C1=O	ZINC000551803188	543343297	/nfs/dbraw/zinc/34/32/97/543343297.db2.gz	LIZJOPHPXJZOJO-MRXNPFEDSA-N	1	0	363.425	1.220	20	30		FDEDRO
C[NH+]1CCN(c2cccc(C(=O)NCC(=O)c3ccc(C#N)cc3)n2)CC1	ZINC000552325067	543451116	/nfs/dbraw/zinc/45/11/16/543451116.db2.gz	GYEXKWRPYOZPRJ-UHFFFAOYSA-N	1	0	363.421	1.318	20	30		FDEDRO
CCC(=O)N1CSC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000076205023	172102795	/nfs/dbraw/zinc/10/27/95/172102795.db2.gz	FIDMXYKQCNBYMM-QGZVFWFLSA-N	1	0	374.510	1.760	20	30		FDEDRO
CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000079494997	172162843	/nfs/dbraw/zinc/16/28/43/172162843.db2.gz	BVCGJIAEEJYSCI-KRWDZBQOSA-N	1	0	358.490	1.761	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N1CCC(C[NH+]2CCOCC2)CC1	ZINC000083170531	172203160	/nfs/dbraw/zinc/20/31/60/172203160.db2.gz	AGVMLVMZTAERLM-IBGZPJMESA-N	1	0	357.454	1.817	20	30		FDEDRO
CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1	ZINC000091242232	172281544	/nfs/dbraw/zinc/28/15/44/172281544.db2.gz	XQDDHESFEUMACR-AWEZNQCLSA-N	1	0	374.489	1.639	20	30		FDEDRO
N#Cc1cc(F)c(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c(F)c1	ZINC000125618227	173012306	/nfs/dbraw/zinc/01/23/06/173012306.db2.gz	KCEBJGFTBLCVRL-GFCCVEGCSA-N	1	0	355.410	1.943	20	30		FDEDRO
CC[NH+](CC)[C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000129919799	173154510	/nfs/dbraw/zinc/15/45/10/173154510.db2.gz	IFPLZEWQFDVVDP-KGLIPLIRSA-N	1	0	366.487	1.072	20	30		FDEDRO
N#Cc1cccc(C[NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)c1	ZINC000130592885	173175269	/nfs/dbraw/zinc/17/52/69/173175269.db2.gz	AFAWBDDBJMYOBE-UHFFFAOYSA-N	1	0	363.483	1.621	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(OC3CCOCC3)CC2)cc1	ZINC000133617009	173270017	/nfs/dbraw/zinc/27/00/17/173270017.db2.gz	MJPOCQGHMLLVRR-QGZVFWFLSA-N	1	0	360.454	1.958	20	30		FDEDRO
CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](CCCOc2ccc(C#N)cc2)C1	ZINC000134303150	173321911	/nfs/dbraw/zinc/32/19/11/173321911.db2.gz	HSWRRWVRWCCGSU-QGZVFWFLSA-N	1	0	351.472	1.729	20	30		FDEDRO
CC(C)NS(=O)(=O)[C@H]1CC[N@H+](CCCOc2cccc(C#N)c2)C1	ZINC000134334147	173323083	/nfs/dbraw/zinc/32/30/83/173323083.db2.gz	BKDRPVGCFDLWBK-KRWDZBQOSA-N	1	0	351.472	1.729	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)CC[N@H+](C)C1CCN(C)CC1	ZINC000177374765	174126162	/nfs/dbraw/zinc/12/61/62/174126162.db2.gz	QCXTWPHIUGQIAB-INIZCTEOSA-N	1	0	357.502	1.843	20	30		FDEDRO
Cn1cc(C[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)c(-c2ccc(C#N)cc2)n1	ZINC000180340787	258366750	/nfs/dbraw/zinc/36/67/50/258366750.db2.gz	RUGGHIDAHZRXJS-OAHLLOKOSA-N	1	0	373.482	1.330	20	30		FDEDRO
Cn1cc(C[NH2+]C[C@@H]2COC3(CCOCC3)O2)c(-c2ccc(C#N)cc2)n1	ZINC000180361447	258367163	/nfs/dbraw/zinc/36/71/63/258367163.db2.gz	IIVRVYNQFWJTQE-GOSISDBHSA-N	1	0	368.437	1.970	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)N1CCN(c2ccccc2C#N)CC1	ZINC000173576129	258303643	/nfs/dbraw/zinc/30/36/43/258303643.db2.gz	OBFQNMODXQJUKO-UHFFFAOYSA-N	1	0	359.474	1.358	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3C[N@H+](C(C)C)C[C@@H]3C)CC2)o1	ZINC000193505636	258393654	/nfs/dbraw/zinc/39/36/54/258393654.db2.gz	IURLQQYGMYWPQZ-SUMWQHHRSA-N	1	0	359.474	1.916	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(-c2cccc(C#N)c2)no1	ZINC000279333584	258548329	/nfs/dbraw/zinc/54/83/29/258548329.db2.gz	YLKZYQIZQJHGBN-CQSZACIVSA-N	1	0	353.426	1.579	20	30		FDEDRO
CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)c1cnn(C)c1C#N	ZINC000553298671	543605740	/nfs/dbraw/zinc/60/57/40/543605740.db2.gz	GTYIZHCPAZVYTQ-UHFFFAOYSA-N	1	0	366.469	1.182	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ncoc2-c2ccccc2)CC1	ZINC000553330159	543610792	/nfs/dbraw/zinc/61/07/92/543610792.db2.gz	YWUUHRYQNNLOFQ-UHFFFAOYSA-N	1	0	368.437	1.724	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)Cc2csc(CC)n2)CC1	ZINC000553373840	543621989	/nfs/dbraw/zinc/62/19/89/543621989.db2.gz	ROBBUGIRZRZPNY-UHFFFAOYSA-N	1	0	364.515	1.821	20	30		FDEDRO
CN(CC(=O)OC(C)(C)C)[C@H]1C[N@H+](Cc2ccc(CC#N)cc2)C[C@H]1O	ZINC000553895511	543713586	/nfs/dbraw/zinc/71/35/86/543713586.db2.gz	URVSSPZKEICTRR-ZWKOTPCHSA-N	1	0	359.470	1.571	20	30		FDEDRO
C[NH+](C)CCn1ccc(=NC(=O)N2CCC(C#N)(c3ccccn3)CC2)[nH]1	ZINC000554578701	543828733	/nfs/dbraw/zinc/82/87/33/543828733.db2.gz	NQODZKSIQPKWAT-UHFFFAOYSA-N	1	0	367.457	1.929	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1	ZINC000554882487	543885890	/nfs/dbraw/zinc/88/58/90/543885890.db2.gz	BPXHBEUJQRMJEJ-QGZVFWFLSA-N	1	0	374.485	1.209	20	30		FDEDRO
COCC[NH2+]CCCNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N	ZINC000556159037	544108016	/nfs/dbraw/zinc/10/80/16/544108016.db2.gz	DJQBNEMKXZYSHK-UHFFFAOYSA-N	1	0	366.487	1.598	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@H]1CCn2ccnc2C1)C(C)C	ZINC000556203852	544117442	/nfs/dbraw/zinc/11/74/42/544117442.db2.gz	CLKHDKGFOFQAHQ-IRXDYDNUSA-N	1	0	373.501	1.129	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CCn2ccnc2C1)C(C)C	ZINC000556203850	544117462	/nfs/dbraw/zinc/11/74/62/544117462.db2.gz	CLKHDKGFOFQAHQ-DLBZAZTESA-N	1	0	373.501	1.129	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCSC[C@@H]1C)C(C)C	ZINC000556207978	544118041	/nfs/dbraw/zinc/11/80/41/544118041.db2.gz	PJDBGWITWBDCAO-HOTGVXAUSA-N	1	0	353.532	1.765	20	30		FDEDRO
N#Cc1ccc(C(=O)CNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1	ZINC000557102948	544245164	/nfs/dbraw/zinc/24/51/64/544245164.db2.gz	KMDKRULBTHXIBU-NRFANRHFSA-N	1	0	363.417	1.494	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(C(=O)c2ccc(C#N)s2)CC1	ZINC000557122389	544248477	/nfs/dbraw/zinc/24/84/77/544248477.db2.gz	QYSQVKLRKGOXLD-UHFFFAOYSA-N	1	0	351.472	1.819	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NC1CC[NH+](CC=C)CC1	ZINC000557731029	544337437	/nfs/dbraw/zinc/33/74/37/544337437.db2.gz	IZABMHLHVGNMAM-UHFFFAOYSA-N	1	0	371.481	1.976	20	30		FDEDRO
CC1CC[NH+]([C@@H](CNC(=O)NCC(=O)NCC#N)c2ccccc2)CC1	ZINC000557808243	544349228	/nfs/dbraw/zinc/34/92/28/544349228.db2.gz	MFSSSILIJMZTTB-KRWDZBQOSA-N	1	0	357.458	1.399	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCc3ccccc3[C@H]2CO)CC1	ZINC000557770175	544344540	/nfs/dbraw/zinc/34/45/40/544344540.db2.gz	WUQZBEKAYPKKQL-LJQANCHMSA-N	1	0	371.481	1.261	20	30		FDEDRO
N#Cc1ccc(C(F)(F)F)nc1NCCC[N@H+]1CCC[C@H](C(N)=O)C1	ZINC000301276703	259024590	/nfs/dbraw/zinc/02/45/90/259024590.db2.gz	IZXOFZQWXAWLMU-LBPRGKRZSA-N	1	0	355.364	1.971	20	30		FDEDRO
N#Cc1ccc(C(F)(F)F)nc1N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000301307525	259025637	/nfs/dbraw/zinc/02/56/37/259025637.db2.gz	VPLXPEZZTYUABM-UHFFFAOYSA-N	1	0	367.375	1.716	20	30		FDEDRO
C[C@@H](c1ccccc1)[NH+]1CCC(Nc2c(C#N)c(=O)n(C)c(=O)n2C)CC1	ZINC000301321042	259025688	/nfs/dbraw/zinc/02/56/88/259025688.db2.gz	SNPWOYDVNQBRPU-AWEZNQCLSA-N	1	0	367.453	1.593	20	30		FDEDRO
N#Cc1ccc(C(F)(F)F)nc1N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000301804546	259033925	/nfs/dbraw/zinc/03/39/25/259033925.db2.gz	DRTGVLMNXMDAIO-CYBMUJFWSA-N	1	0	367.375	1.891	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](Nc3cc(-n4cccn4)nc(N)[nH+]3)C2=O)cc1	ZINC000302742094	259045264	/nfs/dbraw/zinc/04/52/64/259045264.db2.gz	RMHYRGZIMIMMLN-OAHLLOKOSA-N	1	0	374.408	1.329	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)CC2)c(F)c1	ZINC000329172553	259082415	/nfs/dbraw/zinc/08/24/15/259082415.db2.gz	AHJNJUBJBJUQIE-GOSISDBHSA-N	1	0	372.444	1.457	20	30		FDEDRO
CC(=O)N[C@H](C)C1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000331683964	259212625	/nfs/dbraw/zinc/21/26/25/259212625.db2.gz	QSAGOENJJAOIIN-AUUYWEPGSA-N	1	0	354.454	1.900	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1	ZINC000332371430	259260799	/nfs/dbraw/zinc/26/07/99/259260799.db2.gz	BDYBPLGJQMKGNG-VDGAXYAQSA-N	1	0	370.497	1.730	20	30		FDEDRO
CC[NH+]1CCC(N(C)C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1	ZINC000332407441	259264372	/nfs/dbraw/zinc/26/43/72/259264372.db2.gz	PRVYLZKRLPIPTG-UHFFFAOYSA-N	1	0	352.442	1.882	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1C#N	ZINC000333631626	259365158	/nfs/dbraw/zinc/36/51/58/259365158.db2.gz	GRPQBGHSBHCMIP-CVEARBPZSA-N	1	0	361.467	1.256	20	30		FDEDRO
Cc1cc(S(=O)(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)ccc1C#N	ZINC000333676589	259368805	/nfs/dbraw/zinc/36/88/05/259368805.db2.gz	OBLWTQYTUVDKIS-SJORKVTESA-N	1	0	361.467	1.256	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1C#N	ZINC000333735823	259376053	/nfs/dbraw/zinc/37/60/53/259376053.db2.gz	WXJQIIIYKOTPHZ-WBVHZDCISA-N	1	0	363.483	1.774	20	30		FDEDRO
C[NH+]1CCN(C[C@H]2CCCN(S(=O)(=O)c3ccc(C#N)cc3)C2)CC1	ZINC000367686099	260077168	/nfs/dbraw/zinc/07/71/68/260077168.db2.gz	SLOYEHMTTJUFEK-QGZVFWFLSA-N	1	0	362.499	1.206	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+][C@@H]3CCCN(S(=O)(=O)C4CC4)C3)n2c1	ZINC000367701380	260079448	/nfs/dbraw/zinc/07/94/48/260079448.db2.gz	GHRWESHVZMJBDZ-CQSZACIVSA-N	1	0	359.455	1.252	20	30		FDEDRO
CC(C)[NH+]1CCN(C2CCN(S(=O)(=O)c3ccc(C#N)o3)CC2)CC1	ZINC000367788242	260091972	/nfs/dbraw/zinc/09/19/72/260091972.db2.gz	XAJMLENYHAJCFX-UHFFFAOYSA-N	1	0	366.487	1.330	20	30		FDEDRO
CN1CC[NH+](CC2(C)CCN(c3cc(N)c([N+](=O)[O-])c(C#N)c3)CC2)CC1	ZINC000367812033	260095201	/nfs/dbraw/zinc/09/52/01/260095201.db2.gz	GPTXMJGXJBNBQC-UHFFFAOYSA-N	1	0	372.473	1.903	20	30		FDEDRO
CC(C)(O)C[N@@H+]1CCCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1	ZINC000368424543	260181302	/nfs/dbraw/zinc/18/13/02/260181302.db2.gz	LICGDQQVFXZZNN-UHFFFAOYSA-N	1	0	351.472	1.167	20	30		FDEDRO
COC(=O)CN1CCC([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CC1	ZINC000368617264	260209809	/nfs/dbraw/zinc/20/98/09/260209809.db2.gz	YZUFKQVYTHOOLA-UHFFFAOYSA-N	1	0	357.458	1.149	20	30		FDEDRO
C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CCC(n2cnc(C#N)n2)CC1	ZINC000369314293	260338492	/nfs/dbraw/zinc/33/84/92/260338492.db2.gz	MOBOARVGZSGGKN-KRWDZBQOSA-N	1	0	352.442	1.486	20	30		FDEDRO
CCOc1ccc(OC[C@@H](O)C[NH+]2CCC(n3cnc(C#N)n3)CC2)cc1	ZINC000373403973	261007889	/nfs/dbraw/zinc/00/78/89/261007889.db2.gz	PXKVEYDCRXSPGM-INIZCTEOSA-N	1	0	371.441	1.625	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000373403168	261008090	/nfs/dbraw/zinc/00/80/90/261008090.db2.gz	FXYKTKNECVZWAP-UHFFFAOYSA-N	1	0	352.398	1.746	20	30		FDEDRO
N#Cc1ncn(C2CC[NH+](Cc3cc(=O)oc4cc(O)ccc34)CC2)n1	ZINC000373403261	261008181	/nfs/dbraw/zinc/00/81/81/261008181.db2.gz	NMSDFJFSBZBAIO-UHFFFAOYSA-N	1	0	351.366	1.799	20	30		FDEDRO
CN(C(=O)NCCc1cccc(C#N)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000374195720	261091875	/nfs/dbraw/zinc/09/18/75/261091875.db2.gz	XPGCFKFXTCQYJW-FQEVSTJZSA-N	1	0	369.513	1.911	20	30		FDEDRO
N#Cc1cccc(CCNC(=O)N2CCC[N@@H+](C3CCOCC3)CC2)c1	ZINC000374277028	261103264	/nfs/dbraw/zinc/10/32/64/261103264.db2.gz	HUCBBABNEFOKJT-UHFFFAOYSA-N	1	0	356.470	1.997	20	30		FDEDRO
N#Cc1cnc(N[C@@H]2CCCN(CCN3CCOCC3)C2=O)c(Cl)c1	ZINC000374751311	261187719	/nfs/dbraw/zinc/18/77/19/261187719.db2.gz	HKBMGEDHHQNNJW-OAHLLOKOSA-N	1	0	363.849	1.342	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1=O)c1ccc(C#N)cc1	ZINC000378576994	262048233	/nfs/dbraw/zinc/04/82/33/262048233.db2.gz	IOSLHQSOWCXFJT-QFBILLFUSA-N	1	0	356.470	1.532	20	30		FDEDRO
N#Cc1cccc(C(=O)N2CC[C@H](N3CCOCC3)C2)c1Br	ZINC000408453743	262110828	/nfs/dbraw/zinc/11/08/28/262110828.db2.gz	RWLONBWOMUWKIO-ZDUSSCGKSA-N	1	0	364.243	1.867	20	30		FDEDRO
Cc1ccc([C@H](CNC(=O)[C@H](C)n2cnc(C#N)n2)[NH+]2CCCC2)cc1	ZINC000409605763	262129057	/nfs/dbraw/zinc/12/90/57/262129057.db2.gz	AHQPNWDOFYZPJR-RDJZCZTQSA-N	1	0	352.442	1.973	20	30		FDEDRO
C[C@H](C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)n1cnc(C#N)n1	ZINC000409651509	262132022	/nfs/dbraw/zinc/13/20/22/262132022.db2.gz	IASQAEVTJOFEAG-WBVHZDCISA-N	1	0	352.442	1.392	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C[C@H]21	ZINC000972086401	782047212	/nfs/dbraw/zinc/04/72/12/782047212.db2.gz	QCNUJUDBNLNRMS-YZGWKJHDSA-N	1	0	369.509	1.866	20	30		FDEDRO
C[C@H](C(=O)Nc1ccccc1C#N)N1CCC(CO)([NH2+]CC2CC2)CC1	ZINC000570635773	549354658	/nfs/dbraw/zinc/35/46/58/549354658.db2.gz	VXTXUCGCYWYQRX-OAHLLOKOSA-N	1	0	356.470	1.712	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)n1	ZINC000538079363	490709635	/nfs/dbraw/zinc/70/96/35/490709635.db2.gz	QOEXBAMXXLSOGY-UHFFFAOYSA-N	1	0	358.446	1.265	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCCC[NH+]2CCCCCC2)nn1CCC#N	ZINC000504559586	490804554	/nfs/dbraw/zinc/80/45/54/490804554.db2.gz	SPEGWQZRSAZHFX-UHFFFAOYSA-N	1	0	360.462	1.426	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)nn1CCC#N	ZINC000504637700	490807270	/nfs/dbraw/zinc/80/72/70/490807270.db2.gz	XXSOMHIKEYSGFB-UHFFFAOYSA-N	1	0	368.441	1.422	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)nn1CCC#N	ZINC000505068413	490818906	/nfs/dbraw/zinc/81/89/06/490818906.db2.gz	LYODRQYJYVOIRA-UHFFFAOYSA-N	1	0	360.462	1.280	20	30		FDEDRO
N#Cc1ccc(NCC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)nc1	ZINC000541983124	490881225	/nfs/dbraw/zinc/88/12/25/490881225.db2.gz	KWOGPRRZEWKOGG-SFHVURJKSA-N	1	0	365.437	1.248	20	30		FDEDRO
N#Cc1ccc(NCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)nc1	ZINC000611218679	492281684	/nfs/dbraw/zinc/28/16/84/492281684.db2.gz	GMZRNLFTCHVPHX-UHFFFAOYSA-N	1	0	357.458	1.516	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000022086035	518891432	/nfs/dbraw/zinc/89/14/32/518891432.db2.gz	KUQOTSJMNIOBQT-HUUCEWRRSA-N	1	0	361.442	1.561	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000024825413	519017522	/nfs/dbraw/zinc/01/75/22/519017522.db2.gz	RRIWFLTUPWRIDG-INIZCTEOSA-N	1	0	369.469	1.466	20	30		FDEDRO
CC(C)N(C)C(=O)C1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000030273105	519354622	/nfs/dbraw/zinc/35/46/22/519354622.db2.gz	AURUELQBRWKCNF-GOSISDBHSA-N	1	0	359.470	1.877	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](C)[NH+](CC)CC)cc1	ZINC000031825268	519467134	/nfs/dbraw/zinc/46/71/34/519467134.db2.gz	ZDXRVTKZLFWNDN-CQSZACIVSA-N	1	0	353.488	1.611	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(CC)CC(=O)Nc2ccccc2OC)CC1	ZINC000057136861	522010018	/nfs/dbraw/zinc/01/00/18/522010018.db2.gz	DMFACMWUDKDBLO-UHFFFAOYSA-N	1	0	357.454	1.827	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2ccc(N3CCO[C@H](C)C3)nc2)CC1	ZINC000057172147	522020845	/nfs/dbraw/zinc/02/08/45/522020845.db2.gz	MCWBTNHXEBYSGO-MRXNPFEDSA-N	1	0	356.470	1.268	20	30		FDEDRO
N#CC1CCN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1	ZINC000057992923	522196065	/nfs/dbraw/zinc/19/60/65/522196065.db2.gz	MQDDGDZPNFSEGN-UHFFFAOYSA-N	1	0	355.486	1.749	20	30		FDEDRO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCCN1CC[NH+](C)CC1	ZINC000058067164	522202443	/nfs/dbraw/zinc/20/24/43/522202443.db2.gz	JJVGGRYIBNJZSA-LJQANCHMSA-N	1	0	358.486	1.715	20	30		FDEDRO
C[C@@H]1CCC[C@H](NC(=O)CN2CC[NH+](CCCSCC#N)CC2)C1	ZINC000072517897	522313415	/nfs/dbraw/zinc/31/34/15/522313415.db2.gz	ZYKLIPAIQIEILV-SJORKVTESA-N	1	0	352.548	1.946	20	30		FDEDRO
C[N@H+](CCC(=O)N1CCN(c2ncccn2)CC1)Cc1ccc(C#N)cc1	ZINC000046530482	522317249	/nfs/dbraw/zinc/31/72/49/522317249.db2.gz	OWJOOTBXACIDRP-UHFFFAOYSA-N	1	0	364.453	1.519	20	30		FDEDRO
CCC[N@H+](CC(=O)NCCCN1CCCC1=O)Cc1ccc(C#N)cc1	ZINC000061001751	522430944	/nfs/dbraw/zinc/43/09/44/522430944.db2.gz	SVEQCTPKKHKBLC-UHFFFAOYSA-N	1	0	356.470	1.899	20	30		FDEDRO
N#Cc1ccc(OCC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cc1	ZINC000061648571	522486851	/nfs/dbraw/zinc/48/68/51/522486851.db2.gz	RHKRRGOSORHPOQ-UHFFFAOYSA-N	1	0	357.454	1.898	20	30		FDEDRO
Cc1noc(C)c1S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000047281150	522487658	/nfs/dbraw/zinc/48/76/58/522487658.db2.gz	RASULAJVMFNNMN-UHFFFAOYSA-N	1	0	362.455	1.916	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)N1CCCCC1	ZINC000047281086	522488688	/nfs/dbraw/zinc/48/86/88/522488688.db2.gz	BSBNOHOBQXOCBY-UHFFFAOYSA-N	1	0	350.488	1.653	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)COc3ccccc3C#N)cn2)CC1	ZINC000073420601	522523625	/nfs/dbraw/zinc/52/36/25/522523625.db2.gz	SNBVTBOFUFEIAP-UHFFFAOYSA-N	1	0	365.437	1.400	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)Cn1nc2ccccn2c1=O)C(C)C	ZINC000047633229	522574951	/nfs/dbraw/zinc/57/49/51/522574951.db2.gz	VHBNKVNRMRYRPT-MRXNPFEDSA-N	1	0	357.458	1.311	20	30		FDEDRO
Cc1noc(COCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1	ZINC000074475628	522783300	/nfs/dbraw/zinc/78/33/00/522783300.db2.gz	ICLHTQZACLTYSM-UHFFFAOYSA-N	1	0	357.414	1.357	20	30		FDEDRO
Cc1ccnc2nc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)nn21	ZINC000065930695	522921460	/nfs/dbraw/zinc/92/14/60/522921460.db2.gz	MCDLEZDLVCVWPM-UHFFFAOYSA-N	1	0	363.425	1.508	20	30		FDEDRO
N#Cc1ccc(-c2nnc(CN3CC[C@@H](C[NH+]4CCOCC4)C3)o2)cc1	ZINC000075768339	522966889	/nfs/dbraw/zinc/96/68/89/522966889.db2.gz	BVWONJVOSXBUIZ-INIZCTEOSA-N	1	0	353.426	1.762	20	30		FDEDRO
COc1ccc(C[NH2+]CCCNS(C)(=O)=O)cc1OCCCC#N	ZINC000051187414	522991741	/nfs/dbraw/zinc/99/17/41/522991741.db2.gz	MCSZKRRCURXPCD-UHFFFAOYSA-N	1	0	355.460	1.407	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)NCc1ccc(OCC#N)cc1)[NH+]1CCN(C)CC1	ZINC000076055861	523015151	/nfs/dbraw/zinc/01/51/51/523015151.db2.gz	YFCKQJGVXZWCDC-LJQANCHMSA-N	1	0	373.501	1.660	20	30		FDEDRO
CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)NCc1ccnn1C	ZINC000328614538	523043595	/nfs/dbraw/zinc/04/35/95/523043595.db2.gz	AIKMBFJOVPBRDG-WMLDXEAASA-N	1	0	359.478	1.583	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C(=O)NCC)c2)CC1	ZINC000076512970	523130459	/nfs/dbraw/zinc/13/04/59/523130459.db2.gz	FXLUEOUONZRLON-UHFFFAOYSA-N	1	0	358.442	1.141	20	30		FDEDRO
CS(=O)(=O)NC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1	ZINC000076951982	523211860	/nfs/dbraw/zinc/21/18/60/523211860.db2.gz	LUJPGIBVTNQUJX-OAHLLOKOSA-N	1	0	364.471	1.148	20	30		FDEDRO
CCn1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cn1	ZINC000066911127	523256571	/nfs/dbraw/zinc/25/65/71/523256571.db2.gz	QNKGKSAETGRKIV-UHFFFAOYSA-N	1	0	361.471	1.527	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cccc(OCCn3cncn3)c2)CC1	ZINC000067203596	523357285	/nfs/dbraw/zinc/35/72/85/523357285.db2.gz	JOVZULOFYONFBD-UHFFFAOYSA-N	1	0	353.426	1.641	20	30		FDEDRO
O=C(NCCC[NH+]1CCCC1)C(=O)Nc1ncn(Cc2ccccc2)n1	ZINC000077692652	523415695	/nfs/dbraw/zinc/41/56/95/523415695.db2.gz	ZOWWKULETANCMB-UHFFFAOYSA-N	1	0	356.430	1.517	20	30		FDEDRO
CC[NH+](CC)[C@H](C)CNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000067389519	523419306	/nfs/dbraw/zinc/41/93/06/523419306.db2.gz	IMKPBOLRCWDQDN-OAHLLOKOSA-N	1	0	358.490	1.952	20	30		FDEDRO
C[N@@H+](Cc1cccc(C#N)c1)C[C@H](O)Cn1c(=O)onc1-c1ccccc1	ZINC000067427787	523445539	/nfs/dbraw/zinc/44/55/39/523445539.db2.gz	NZPLEPKYPKYEET-SFHVURJKSA-N	1	0	364.405	1.868	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNc1nc2c(c(=O)[nH]c(=O)n2C)n1C)C(C)C	ZINC000053557108	523463852	/nfs/dbraw/zinc/46/38/52/523463852.db2.gz	HDAALXXRNLSLMR-ZDUSSCGKSA-N	1	0	360.462	1.071	20	30		FDEDRO
CSc1nc(C2CC2)cc(C(=O)NCCCN2CC[NH+](C)CC2)c1C#N	ZINC000067509763	523476122	/nfs/dbraw/zinc/47/61/22/523476122.db2.gz	GBCFIZOECNGBNA-UHFFFAOYSA-N	1	0	373.526	1.920	20	30		FDEDRO
C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)Cn3cnc(C#N)n3)cc2)C1	ZINC000053620617	523476011	/nfs/dbraw/zinc/47/60/11/523476011.db2.gz	DGOLGEIBZYNVCE-IYBDPMFKSA-N	1	0	366.469	1.944	20	30		FDEDRO
CCn1nc2c(cc1=O)C[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)CC2	ZINC000078613273	523615507	/nfs/dbraw/zinc/61/55/07/523615507.db2.gz	KCUDQHYRRYAZER-KRWDZBQOSA-N	1	0	368.437	1.127	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN(CCC#N)Cc2ccco2)C1	ZINC000078667259	523633273	/nfs/dbraw/zinc/63/32/73/523633273.db2.gz	RCWBWRRRPAMJPL-SFHVURJKSA-N	1	0	362.474	1.468	20	30		FDEDRO
C[C@](C#N)(NC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C1CC1	ZINC000054454818	523642724	/nfs/dbraw/zinc/64/27/24/523642724.db2.gz	DSFZJNBCVJXZST-OAQYLSRUSA-N	1	0	365.481	1.874	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000081083890	523938264	/nfs/dbraw/zinc/93/82/64/523938264.db2.gz	ZKYNBJMGWLWHLC-UHFFFAOYSA-N	1	0	353.426	1.118	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1ccccc1OCC[NH+](C)C	ZINC000135369404	524132548	/nfs/dbraw/zinc/13/25/48/524132548.db2.gz	RIKOHNWWLBDZLJ-UHFFFAOYSA-N	1	0	370.457	1.509	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCN(C(=O)Cc3ccc(OCC#N)cc3)CC2)CCO1	ZINC000110816472	524141060	/nfs/dbraw/zinc/14/10/60/524141060.db2.gz	RLHIGCYDUBFHLP-MRXNPFEDSA-N	1	0	357.454	1.843	20	30		FDEDRO
C=CCCC[N@@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000121121915	524158209	/nfs/dbraw/zinc/15/82/09/524158209.db2.gz	FSSWNDIEPJQYIT-KGLIPLIRSA-N	1	0	353.488	1.798	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1	ZINC000121167003	524174340	/nfs/dbraw/zinc/17/43/40/524174340.db2.gz	BPPHELWMEUYDTK-IBGZPJMESA-N	1	0	368.481	1.235	20	30		FDEDRO
C=CCNc1ncc(C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)s1	ZINC000136308441	524193418	/nfs/dbraw/zinc/19/34/18/524193418.db2.gz	PRWACKTUKCLYME-AWEZNQCLSA-N	1	0	351.520	1.743	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)CC1	ZINC000172463697	524226045	/nfs/dbraw/zinc/22/60/45/524226045.db2.gz	XSTAVGSLCHIDLD-UHFFFAOYSA-N	1	0	352.460	1.414	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1	ZINC000121555667	524291885	/nfs/dbraw/zinc/29/18/85/524291885.db2.gz	PUBFEJOZYDNOFE-UHFFFAOYSA-N	1	0	362.449	1.939	20	30		FDEDRO
C[NH+](C)C1(CNS(=O)(=O)c2ccc(Cl)cc2C#N)CCOCC1	ZINC000157572720	524297823	/nfs/dbraw/zinc/29/78/23/524297823.db2.gz	AKBKSULJVIVCSW-UHFFFAOYSA-N	1	0	357.863	1.601	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NCCC[NH+](C)C)cc1	ZINC000140874660	524322313	/nfs/dbraw/zinc/32/23/13/524322313.db2.gz	KMAHMVHXUYTQMG-UHFFFAOYSA-N	1	0	372.469	1.507	20	30		FDEDRO
N#CCCn1ccc(NC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)n1	ZINC000086461768	524396025	/nfs/dbraw/zinc/39/60/25/524396025.db2.gz	BHZROTNNJPLXKE-UHFFFAOYSA-N	1	0	358.446	1.212	20	30		FDEDRO
C[C@H]1C[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC[N@@H+]1C	ZINC000121932782	524412468	/nfs/dbraw/zinc/41/24/68/524412468.db2.gz	KTCIHARSKMHODY-NWDGAFQWSA-N	1	0	352.416	1.570	20	30		FDEDRO
C[C@H](Cn1cncn1)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000158286725	524440190	/nfs/dbraw/zinc/44/01/90/524440190.db2.gz	FSCBWKIZTBLMCG-OAHLLOKOSA-N	1	0	355.446	1.312	20	30		FDEDRO
CCCC[N@H+](C)CCNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C	ZINC000112310669	524456642	/nfs/dbraw/zinc/45/66/42/524456642.db2.gz	PYUDFTBVOHSOAC-UHFFFAOYSA-N	1	0	356.474	1.999	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)C(C)(C)C)N[C@@H]1CCOc2ccccc21	ZINC000088869215	524474849	/nfs/dbraw/zinc/47/48/49/524474849.db2.gz	NCHKKEQTCCOXRQ-CQSZACIVSA-N	1	0	353.488	1.889	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCc2nn(C)c(=O)cc2C1)C(C)C	ZINC000173927557	524488628	/nfs/dbraw/zinc/48/86/28/524488628.db2.gz	WZKKHHKFUYREAV-SFHVURJKSA-N	1	0	373.501	1.547	20	30		FDEDRO
CC[NH+]=C(NCCc1ccccc1O)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158617660	524499696	/nfs/dbraw/zinc/49/96/96/524499696.db2.gz	IBZLMNTUJIDXRV-UHFFFAOYSA-N	1	0	353.488	1.409	20	30		FDEDRO
CCOc1ccc(OCC(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)cc1	ZINC000089662922	524518112	/nfs/dbraw/zinc/51/81/12/524518112.db2.gz	WXQBQDXXUAUBTE-UHFFFAOYSA-N	1	0	357.414	1.850	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)COc2ccc(C)cc2OC)c1C#N	ZINC000089675910	524520132	/nfs/dbraw/zinc/52/01/32/524520132.db2.gz	BOHKVJUKWWLPPP-UHFFFAOYSA-N	1	0	357.414	1.768	20	30		FDEDRO
CN1CCC(=O)Nc2cc(C(=O)N(CCC#N)CCC[NH+](C)C)ccc21	ZINC000174290255	524537329	/nfs/dbraw/zinc/53/73/29/524537329.db2.gz	PUUOUBMZDWYQBJ-UHFFFAOYSA-N	1	0	357.458	1.773	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1	ZINC000112700720	524539390	/nfs/dbraw/zinc/53/93/90/524539390.db2.gz	VJMWTURYORHTFV-HZPDHXFCSA-N	1	0	350.507	1.869	20	30		FDEDRO
C[C@@H](Sc1nnnn1CC[NH+](C)C)C(=O)NC1(C#N)CCCCC1	ZINC000151666395	524646869	/nfs/dbraw/zinc/64/68/69/524646869.db2.gz	BNWNGPQMLCQMQH-GFCCVEGCSA-N	1	0	351.480	1.058	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)n1	ZINC000091209978	524663530	/nfs/dbraw/zinc/66/35/30/524663530.db2.gz	GIHWAHCDOJYILR-ZIAGYGMSSA-N	1	0	360.462	1.511	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CCOCC1	ZINC000114047018	524738666	/nfs/dbraw/zinc/73/86/66/524738666.db2.gz	NJHDRTDEDGTWSV-UHFFFAOYSA-N	1	0	364.833	1.377	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)CC1	ZINC000123385637	524743556	/nfs/dbraw/zinc/74/35/56/524743556.db2.gz	JIALXAYRYRSACB-QGZVFWFLSA-N	1	0	351.454	1.781	20	30		FDEDRO
CN(C)C(=O)C(C)(C)[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000114457585	524807908	/nfs/dbraw/zinc/80/79/08/524807908.db2.gz	UAMHPUXNMGECPZ-UHFFFAOYSA-N	1	0	369.387	1.630	20	30		FDEDRO
CCN(CCC#N)C(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1	ZINC000123825337	524838184	/nfs/dbraw/zinc/83/81/84/524838184.db2.gz	HAJLOXXUJNUNAW-UHFFFAOYSA-N	1	0	360.483	1.936	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1	ZINC000175188434	524897847	/nfs/dbraw/zinc/89/78/47/524897847.db2.gz	NOYYNZBCZKNQCG-UHFFFAOYSA-N	1	0	354.454	1.622	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[N@@H+]1C1CC1	ZINC000124383440	524972153	/nfs/dbraw/zinc/97/21/53/524972153.db2.gz	NHEGCFHLLPNJJN-YOEHRIQHSA-N	1	0	368.485	1.846	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)cc1	ZINC000093261115	524975417	/nfs/dbraw/zinc/97/54/17/524975417.db2.gz	KLQCWXKUIAPXGP-IBGZPJMESA-N	1	0	366.421	1.629	20	30		FDEDRO
C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1	ZINC000175773568	525005305	/nfs/dbraw/zinc/00/53/05/525005305.db2.gz	WHLCZUKZGRAWEE-KRWDZBQOSA-N	1	0	360.477	1.854	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CNC(=O)c1ccsc1	ZINC000124557435	525017626	/nfs/dbraw/zinc/01/76/26/525017626.db2.gz	RMSQWOGCRAUTQZ-UHFFFAOYSA-N	1	0	370.478	1.940	20	30		FDEDRO
COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)NC1(C#N)CCCCC1)CC2	ZINC000124748051	525067184	/nfs/dbraw/zinc/06/71/84/525067184.db2.gz	BXGCIQBPTJXDME-ZIAGYGMSSA-N	1	0	360.462	1.060	20	30		FDEDRO
CN(Cc1ccccc1F)C(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153302231	525172883	/nfs/dbraw/zinc/17/28/83/525172883.db2.gz	OLOARIJHQUZQKK-UHFFFAOYSA-N	1	0	358.421	1.526	20	30		FDEDRO
C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153300151	525172979	/nfs/dbraw/zinc/17/29/79/525172979.db2.gz	QEQCEXYPNLCRTG-CYBMUJFWSA-N	1	0	372.448	1.914	20	30		FDEDRO
C[NH+]=C(NCc1ccc2c(c1)OCO2)N1CCO[C@H](c2cnn(C)c2)C1	ZINC000153320596	525177950	/nfs/dbraw/zinc/17/79/50/525177950.db2.gz	NIBSGCXKJMHQFF-KRWDZBQOSA-N	1	0	357.414	1.298	20	30		FDEDRO
N#CCCN(C(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1)c1ccccc1	ZINC000125280540	525182212	/nfs/dbraw/zinc/18/22/12/525182212.db2.gz	RSTIOONDJOJQFP-AEFFLSMTSA-N	1	0	354.454	1.924	20	30		FDEDRO
CC[NH+]=C(NC[C@@H](O)c1ccc(F)cc1)N[C@H]1CCc2nc(C)nn2C1	ZINC000153383069	525197211	/nfs/dbraw/zinc/19/72/11/525197211.db2.gz	TVVAARNWYPJHPD-JKSUJKDBSA-N	1	0	360.437	1.329	20	30		FDEDRO
CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000176914870	525201075	/nfs/dbraw/zinc/20/10/75/525201075.db2.gz	TZJUZRBHNVFBSZ-QGZVFWFLSA-N	1	0	370.457	1.413	20	30		FDEDRO
C[C@H](NC(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N)c1ccc(F)cc1	ZINC000125492938	525206116	/nfs/dbraw/zinc/20/61/16/525206116.db2.gz	LPRJEFWOXKKJDD-LBPRGKRZSA-N	1	0	358.421	1.744	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000125489270	525206530	/nfs/dbraw/zinc/20/65/30/525206530.db2.gz	PNNLKVIJFYWNGX-NSHDSACASA-N	1	0	371.401	1.663	20	30		FDEDRO
C[C@@H]1C[N@@H+](C[C@H](O)CN2CCN([C@@H](C#N)c3ccccc3)CC2)C[C@H](C)O1	ZINC000098144019	525210080	/nfs/dbraw/zinc/21/00/80/525210080.db2.gz	OOTTTXPCSFEOMU-JYRKZWEQSA-N	1	0	372.513	1.339	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCc3ccccc3O)=[NH+]C[C@@H]2C1	ZINC000177002496	525217232	/nfs/dbraw/zinc/21/72/32/525217232.db2.gz	YOCHMUACPJWMGL-OAHLLOKOSA-N	1	0	360.458	1.815	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCc3ccccc3O)=[NH+]C[C@H]2C1	ZINC000177002512	525218106	/nfs/dbraw/zinc/21/81/06/525218106.db2.gz	YOCHMUACPJWMGL-HNNXBMFYSA-N	1	0	360.458	1.815	20	30		FDEDRO
CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000177039723	525225269	/nfs/dbraw/zinc/22/52/69/525225269.db2.gz	YFSXVJMWTNORFM-ZDUSSCGKSA-N	1	0	350.850	1.901	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(C#N)nc1	ZINC000162391154	525252399	/nfs/dbraw/zinc/25/23/99/525252399.db2.gz	XAXZVXFAHRPZQD-KDOFPFPSSA-N	1	0	356.451	1.752	20	30		FDEDRO
C#CCCCCNC(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1	ZINC000153727781	525299541	/nfs/dbraw/zinc/29/95/41/525299541.db2.gz	VDMNNJRYJHLIBF-UHFFFAOYSA-N	1	0	358.442	1.413	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1	ZINC000177578676	525313140	/nfs/dbraw/zinc/31/31/40/525313140.db2.gz	GPNQDCUVHPMAQB-CVEARBPZSA-N	1	0	365.499	1.754	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NC[C@H](C)C#N	ZINC000177590102	525315204	/nfs/dbraw/zinc/31/52/04/525315204.db2.gz	QPCHXQHQPAGJMZ-CYBMUJFWSA-N	1	0	366.487	1.115	20	30		FDEDRO
C[NH+](C)C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CCO1	ZINC000177679474	525329678	/nfs/dbraw/zinc/32/96/78/525329678.db2.gz	JXEGZHRKRYKKOJ-MRXNPFEDSA-N	1	0	358.442	1.215	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)CC2CC[NH+](C)CC2)cc1	ZINC000103453889	525354211	/nfs/dbraw/zinc/35/42/11/525354211.db2.gz	OORPHXSYFDDNAH-UHFFFAOYSA-N	1	0	365.499	1.565	20	30		FDEDRO
C[NH+]=C(NCc1cc2c(cc1OC)C[C@@H](C)O2)N[C@H]1CCc2ncnn2C1	ZINC000153914418	525361333	/nfs/dbraw/zinc/36/13/33/525361333.db2.gz	CGAIGYCXEIICGK-DOMZBBRYSA-N	1	0	370.457	1.290	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1	ZINC000178042856	525372957	/nfs/dbraw/zinc/37/29/57/525372957.db2.gz	WYCAWPJLKOIVSJ-HZPDHXFCSA-N	1	0	372.469	1.529	20	30		FDEDRO
C=CC[C@H](C)[C@@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1	ZINC000127166981	525392086	/nfs/dbraw/zinc/39/20/86/525392086.db2.gz	DLBWAPMNNFISIC-DLBZAZTESA-N	1	0	366.531	1.724	20	30		FDEDRO
C=CCCOCCNC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1	ZINC000127195714	525392743	/nfs/dbraw/zinc/39/27/43/525392743.db2.gz	HYYVKTPVILWFQG-UHFFFAOYSA-N	1	0	352.523	1.829	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCCc2nc3ccccc3[nH]2)CC1	ZINC000104156960	525397206	/nfs/dbraw/zinc/39/72/06/525397206.db2.gz	WFTOOANOZUKZFT-UHFFFAOYSA-N	1	0	372.473	1.973	20	30		FDEDRO
COc1ccc(CCCNC(=[NH2+])NCCCN2CCOCC2)cc1OC	ZINC000104181026	525398503	/nfs/dbraw/zinc/39/85/03/525398503.db2.gz	LWNVYCAIESWINU-UHFFFAOYSA-N	1	0	364.490	1.263	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1	ZINC000104749332	525430975	/nfs/dbraw/zinc/43/09/75/525430975.db2.gz	SPIFQUOUOUVIAR-UHFFFAOYSA-N	1	0	358.423	1.473	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C1CC1)[NH+](C)C	ZINC000118102592	525444946	/nfs/dbraw/zinc/44/49/46/525444946.db2.gz	FUUCMZLOLHBHCU-INIZCTEOSA-N	1	0	358.442	1.740	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCC([C@@H](C)[NH3+])CC2)ccc1F	ZINC000178804355	525483778	/nfs/dbraw/zinc/48/37/78/525483778.db2.gz	XYPVRZSOKCOAHD-GFCCVEGCSA-N	1	0	369.462	1.489	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2cc(Br)c(=O)n(C)c2)CC1	ZINC000178963739	525510928	/nfs/dbraw/zinc/51/09/28/525510928.db2.gz	FDRJOHYDMJNISX-UHFFFAOYSA-N	1	0	369.263	1.920	20	30		FDEDRO
CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1	ZINC000128402277	525537460	/nfs/dbraw/zinc/53/74/60/525537460.db2.gz	LJXSSNAOSHALIX-HNNXBMFYSA-N	1	0	360.483	1.982	20	30		FDEDRO
C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N1CCO[C@@H](COC)C1	ZINC000179261608	525549541	/nfs/dbraw/zinc/54/95/41/525549541.db2.gz	SMZXBWUXRXSMLW-SECBINFHSA-N	1	0	352.382	1.585	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1	ZINC000106039751	525553461	/nfs/dbraw/zinc/55/34/61/525553461.db2.gz	VHBNXVOYTVLEQZ-CALCHBBNSA-N	1	0	361.486	1.708	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2cccs2)CC1	ZINC000106037744	525554343	/nfs/dbraw/zinc/55/43/43/525554343.db2.gz	SGORQAUEFAZISW-ZDUSSCGKSA-N	1	0	371.528	1.572	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(CC(=O)Nc3oc(C)c(C)c3C#N)C2)CC1	ZINC000118834869	525557243	/nfs/dbraw/zinc/55/72/43/525557243.db2.gz	BEVVCWRDBVNZMC-INIZCTEOSA-N	1	0	359.474	1.418	20	30		FDEDRO
COCCC1(CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)CC1	ZINC000128569437	525557289	/nfs/dbraw/zinc/55/72/89/525557289.db2.gz	YPDDITLXEBUZCH-CQSZACIVSA-N	1	0	352.479	1.684	20	30		FDEDRO
CN(C)CC[NH+]1CCC(CNC(=O)c2c(F)cc(C#N)cc2F)CC1	ZINC000154611949	525588846	/nfs/dbraw/zinc/58/88/46/525588846.db2.gz	CEMSWLPNRNWQNA-UHFFFAOYSA-N	1	0	350.413	1.840	20	30		FDEDRO
CCNC(=O)CN1CCCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1	ZINC000179858953	525640017	/nfs/dbraw/zinc/64/00/17/525640017.db2.gz	JAIYEOAPPYJYKZ-UHFFFAOYSA-N	1	0	354.454	1.526	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CCO1	ZINC000106339466	525697247	/nfs/dbraw/zinc/69/72/47/525697247.db2.gz	ZGJQYFXGLVMNQD-GOSISDBHSA-N	1	0	358.442	1.077	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(Cc3nccn3C)CC2)CC1	ZINC000106340794	525697577	/nfs/dbraw/zinc/69/75/77/525697577.db2.gz	JKBWAGJTNRCRIB-UHFFFAOYSA-N	1	0	360.506	1.288	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(-c3nnco3)c2)CC1	ZINC000106349352	525698514	/nfs/dbraw/zinc/69/85/14/525698514.db2.gz	SYGDJGGAUHZFDH-UHFFFAOYSA-N	1	0	369.425	1.832	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1	ZINC000180426241	525707296	/nfs/dbraw/zinc/70/72/96/525707296.db2.gz	FQXNCJWKKDXYPA-YJBOKZPZSA-N	1	0	373.457	1.938	20	30		FDEDRO
C=C(C)CN(C)C(=O)C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000180686857	525740686	/nfs/dbraw/zinc/74/06/86/525740686.db2.gz	UOVCSXDKSIDMBZ-UHFFFAOYSA-N	1	0	358.486	1.797	20	30		FDEDRO
C[NH+]=C(N[C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N1CCN(c2ncccn2)CC1	ZINC000130438143	525757198	/nfs/dbraw/zinc/75/71/98/525757198.db2.gz	UTZJJAHKWBZXSO-ULQDDVLXSA-N	1	0	370.501	1.522	20	30		FDEDRO
CN(C)C(=[NH2+])NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1	ZINC000170904346	525763353	/nfs/dbraw/zinc/76/33/53/525763353.db2.gz	LDAWAYBMMXHELN-UHFFFAOYSA-N	1	0	356.449	1.924	20	30		FDEDRO
COc1ccccc1CNC(=[NH2+])NCC(=O)N(C)CCc1ccccn1	ZINC000170914419	525767627	/nfs/dbraw/zinc/76/76/27/525767627.db2.gz	GYXGXDVRWFPKJK-UHFFFAOYSA-N	1	0	355.442	1.196	20	30		FDEDRO
CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000119519270	525772048	/nfs/dbraw/zinc/77/20/48/525772048.db2.gz	NGDXZYHDLXGFLH-UHFFFAOYSA-N	1	0	352.416	1.429	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(F)c(NS(C)(=O)=O)c1	ZINC000130768436	525791809	/nfs/dbraw/zinc/79/18/09/525791809.db2.gz	NTTRRSJIXFEESH-UHFFFAOYSA-N	1	0	370.450	1.505	20	30		FDEDRO
CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C#N)cc2)cc1	ZINC000181039494	525795577	/nfs/dbraw/zinc/79/55/77/525795577.db2.gz	YPHBSQGFVOANOA-CYBMUJFWSA-N	1	0	372.450	1.756	20	30		FDEDRO
C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1	ZINC000181042869	525796546	/nfs/dbraw/zinc/79/65/46/525796546.db2.gz	QXNNDGRSIDGMJW-IEBWSBKVSA-N	1	0	371.481	1.282	20	30		FDEDRO
C=CCCS(=O)(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000119606184	525804381	/nfs/dbraw/zinc/80/43/81/525804381.db2.gz	RMWWQMCRPFGFRD-UHFFFAOYSA-N	1	0	351.516	1.690	20	30		FDEDRO
C#CCSCC[NH2+][C@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000181092884	525806232	/nfs/dbraw/zinc/80/62/32/525806232.db2.gz	VDNYANLSJBLDLI-OAHLLOKOSA-N	1	0	368.524	1.725	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000106946034	525831247	/nfs/dbraw/zinc/83/12/47/525831247.db2.gz	OCXFPBGIAQJLSN-LBPRGKRZSA-N	1	0	367.400	1.917	20	30		FDEDRO
N#Cc1cnn(-c2ccc(C(=O)NC3CC[NH+](CC4CC4)CC3)cc2)c1N	ZINC000171135822	525865345	/nfs/dbraw/zinc/86/53/45/525865345.db2.gz	UBNLHQMMDPKHGV-UHFFFAOYSA-N	1	0	364.453	1.930	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1	ZINC000181666739	525888074	/nfs/dbraw/zinc/88/80/74/525888074.db2.gz	UBRKUCZVPGSUHF-GJZGRUSLSA-N	1	0	358.442	1.907	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@H](Cn4ccnn4)C3)C2=O)cc1	ZINC000119916391	525906832	/nfs/dbraw/zinc/90/68/32/525906832.db2.gz	OPXDDEWYZRKCET-WMZOPIPTSA-N	1	0	350.426	1.667	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1	ZINC000131833095	525908676	/nfs/dbraw/zinc/90/86/76/525908676.db2.gz	HTFIYHNCHWDRHE-UHFFFAOYSA-N	1	0	374.460	1.916	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1	ZINC000119964032	525920791	/nfs/dbraw/zinc/92/07/91/525920791.db2.gz	ICAFIQVTZPNCEQ-AWEZNQCLSA-N	1	0	356.517	1.640	20	30		FDEDRO
CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)c1	ZINC000181935057	525989971	/nfs/dbraw/zinc/98/99/71/525989971.db2.gz	VDJKLBYMXLDMSX-STQMWFEESA-N	1	0	352.460	1.006	20	30		FDEDRO
Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](CC(N)=O)C2CCOCC2)c(C#N)c1C	ZINC000181940116	525991528	/nfs/dbraw/zinc/99/15/28/525991528.db2.gz	XWJJCOGBNSXOTF-NHYWBVRUSA-N	1	0	362.430	1.355	20	30		FDEDRO
N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](CC(N)=O)C1CCOCC1	ZINC000181955424	525996600	/nfs/dbraw/zinc/99/66/00/525996600.db2.gz	MGGOYDHAIXDUJY-CQSZACIVSA-N	1	0	364.833	1.410	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc(-n2ccnn2)cc1	ZINC000182052845	526036761	/nfs/dbraw/zinc/03/67/61/526036761.db2.gz	QDKPECZKHXMTKO-HNNXBMFYSA-N	1	0	351.414	1.574	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](C[NH+]2CCCC2)C1	ZINC000120431431	526061933	/nfs/dbraw/zinc/06/19/33/526061933.db2.gz	URAXVFWRYUDFTQ-CYBMUJFWSA-N	1	0	364.427	1.573	20	30		FDEDRO
C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000120473119	526077358	/nfs/dbraw/zinc/07/73/58/526077358.db2.gz	KQSTUHSXCHKCFT-YOEHRIQHSA-N	1	0	363.483	1.272	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccc3c(c2)[nH]c(=O)c(=O)n3CC)CC1	ZINC000171727245	526097147	/nfs/dbraw/zinc/09/71/47/526097147.db2.gz	PIDIEJWJWGPTEU-UHFFFAOYSA-N	1	0	356.426	1.090	20	30		FDEDRO
C[NH+](C)C1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1	ZINC000134120738	526125749	/nfs/dbraw/zinc/12/57/49/526125749.db2.gz	UBDIURCGZZLJSF-UHFFFAOYSA-N	1	0	363.483	1.930	20	30		FDEDRO
CC(C)[C@@H](CO)[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000156422112	526131777	/nfs/dbraw/zinc/13/17/77/526131777.db2.gz	QJHJMYXWPRWGPA-CABCVRRESA-N	1	0	350.488	1.063	20	30		FDEDRO
C[C@H](C(=O)Nc1ccccc1C#N)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1	ZINC000109754323	526176682	/nfs/dbraw/zinc/17/66/82/526176682.db2.gz	HWVMJBGNFPZRSX-MJGOQNOKSA-N	1	0	369.513	1.987	20	30		FDEDRO
CN(C)C(=O)C1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000182595281	535830432	/nfs/dbraw/zinc/83/04/32/535830432.db2.gz	TWDGMDQJKWTGJR-SFHVURJKSA-N	1	0	354.454	1.854	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1	ZINC000183040967	535908352	/nfs/dbraw/zinc/90/83/52/535908352.db2.gz	MQWBYXCSXCXRDH-KRWDZBQOSA-N	1	0	358.398	1.854	20	30		FDEDRO
C[C@@H](O)[C@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000183173072	535934895	/nfs/dbraw/zinc/93/48/95/535934895.db2.gz	CZRYUGHKZSGOMJ-AYBZRNKSSA-N	1	0	374.460	1.237	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)C2)CC1	ZINC000186698865	536241690	/nfs/dbraw/zinc/24/16/90/536241690.db2.gz	WCCSTTICIHUKMH-LJQANCHMSA-N	1	0	352.482	1.828	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1	ZINC000188229011	536286730	/nfs/dbraw/zinc/28/67/30/536286730.db2.gz	WTCIUFCMSCXBHJ-UONOGXRCSA-N	1	0	351.472	1.966	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)NC[C@](C)(O)c1cc(C)oc1C	ZINC000262800533	536905123	/nfs/dbraw/zinc/90/51/23/536905123.db2.gz	QTGALPJGBXTNHI-BEFAXECRSA-N	1	0	374.489	1.431	20	30		FDEDRO
CNC(=O)[C@@H](C)C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC	ZINC000246273795	536914823	/nfs/dbraw/zinc/91/48/23/536914823.db2.gz	WEPPVRGVGYVXMN-LSDHHAIUSA-N	1	0	360.458	1.644	20	30		FDEDRO
NC(=O)C1(CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)CCOCC1	ZINC000266972634	536944447	/nfs/dbraw/zinc/94/44/47/536944447.db2.gz	GVDAEVPNTCAARP-UHFFFAOYSA-N	1	0	358.364	1.392	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C[C@@H](O)COCc1cccs1	ZINC000246409216	536947301	/nfs/dbraw/zinc/94/73/01/536947301.db2.gz	LVTXIYNYMRYWFY-LSDHHAIUSA-N	1	0	373.482	1.498	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@@H](CN4CCOCC4)C3)C2=O)cc1	ZINC000246541596	536977432	/nfs/dbraw/zinc/97/74/32/536977432.db2.gz	CSESUUJWTIWLSV-PKOBYXMFSA-N	1	0	354.454	1.318	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)NCC[N@H+]3CCC[C@H](C)C3)CC2)o1	ZINC000189108441	536998704	/nfs/dbraw/zinc/99/87/04/536998704.db2.gz	WGNPJSYTQPNCHY-AWEZNQCLSA-N	1	0	359.474	1.919	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2cccc(C)c2C#N)CC1	ZINC000189117669	537000789	/nfs/dbraw/zinc/00/07/89/537000789.db2.gz	GLJZNJWOUDAZFU-HNNXBMFYSA-N	1	0	350.488	1.171	20	30		FDEDRO
CC[NH+]1CCN(CCNS(=O)(=O)c2cccc(Cl)c2C#N)CC1	ZINC000189124639	537001582	/nfs/dbraw/zinc/00/15/82/537001582.db2.gz	XEPSHSQECWXIEC-UHFFFAOYSA-N	1	0	356.879	1.127	20	30		FDEDRO
C=CCNC(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)=[NH+]C	ZINC000263272837	537006282	/nfs/dbraw/zinc/00/62/82/537006282.db2.gz	XMCNQSHSLYZKLP-UHFFFAOYSA-N	1	0	350.488	1.712	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC#Cc1ccccc1	ZINC000263645440	537050577	/nfs/dbraw/zinc/05/05/77/537050577.db2.gz	BJEAEJSPHHRVPM-SFHVURJKSA-N	1	0	356.470	1.280	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1	ZINC000263677516	537062081	/nfs/dbraw/zinc/06/20/81/537062081.db2.gz	HMMRVMXRFUOOOO-CQSZACIVSA-N	1	0	369.425	1.797	20	30		FDEDRO
C[C@@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@@H+]1CC(C)(C)O	ZINC000189875845	537108336	/nfs/dbraw/zinc/10/83/36/537108336.db2.gz	ZNTULUVVAGKHBZ-CYBMUJFWSA-N	1	0	364.877	1.927	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1	ZINC000189876541	537108689	/nfs/dbraw/zinc/10/86/89/537108689.db2.gz	VXEMIJNGXMNDEN-CVEARBPZSA-N	1	0	350.507	1.495	20	30		FDEDRO
C#CCCNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1	ZINC000264951905	537150584	/nfs/dbraw/zinc/15/05/84/537150584.db2.gz	ADJXQYVOODRCOE-UHFFFAOYSA-N	1	0	354.454	1.297	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(C(=O)c2ccc(COC(C)C)cc2)CC1	ZINC000264972794	537150762	/nfs/dbraw/zinc/15/07/62/537150762.db2.gz	HGHNJNQKFSYFIJ-UHFFFAOYSA-N	1	0	371.481	1.509	20	30		FDEDRO
C#C[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1	ZINC000190292686	537161742	/nfs/dbraw/zinc/16/17/42/537161742.db2.gz	HHVURAMNSCKGCC-HNNXBMFYSA-N	1	0	356.470	1.541	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000265744316	537169573	/nfs/dbraw/zinc/16/95/73/537169573.db2.gz	ANZDZTNMVZHUBO-HNNXBMFYSA-N	1	0	356.426	1.450	20	30		FDEDRO
C#CCSCCNC(=O)NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C	ZINC000265800363	537174153	/nfs/dbraw/zinc/17/41/53/537174153.db2.gz	HZXIIOZKVSWYOW-HNNXBMFYSA-N	1	0	365.499	1.972	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)Nc1ccn(CCC#N)n1)[C@@H](c1ccccc1)[NH+](C)C	ZINC000191256237	537201392	/nfs/dbraw/zinc/20/13/92/537201392.db2.gz	FDOBYJDIPRLYEQ-PBHICJAKSA-N	1	0	368.441	1.543	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)[C@H](C)C1	ZINC000248734113	537209548	/nfs/dbraw/zinc/20/95/48/537209548.db2.gz	GPYRCHQXPMVPCF-CVEARBPZSA-N	1	0	372.469	1.581	20	30		FDEDRO
CCC1(CC)[C@H]([NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C[C@H]1OC	ZINC000248836881	537215291	/nfs/dbraw/zinc/21/52/91/537215291.db2.gz	NUSJIKVDMZNBRL-KZNAEPCWSA-N	1	0	364.534	1.862	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)N1C[C@H](C)OC[C@H]1C)C(C)C	ZINC000249068082	537226649	/nfs/dbraw/zinc/22/66/49/537226649.db2.gz	JTDNUYYXBYNBLM-IXDOHACOSA-N	1	0	359.536	1.629	20	30		FDEDRO
CCOC(=O)c1cnn(CCC#N)c1NC(=O)C1CC[NH+](C2CC2)CC1	ZINC000192715847	537230950	/nfs/dbraw/zinc/23/09/50/537230950.db2.gz	JROVFPVUKMLORV-UHFFFAOYSA-N	1	0	359.430	1.786	20	30		FDEDRO
COCCCNC(=O)C1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1	ZINC000193789221	537255570	/nfs/dbraw/zinc/25/55/70/537255570.db2.gz	UITKYISYULVDSD-UHFFFAOYSA-N	1	0	372.469	1.752	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)ccc1F	ZINC000278323884	537300143	/nfs/dbraw/zinc/30/01/43/537300143.db2.gz	VLRMEFHURIBADB-WCQYABFASA-N	1	0	355.435	1.160	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2ccc(C#N)c(F)c2)CC1	ZINC000290284240	537314246	/nfs/dbraw/zinc/31/42/46/537314246.db2.gz	XLJLVIIMVJPJGZ-UHFFFAOYSA-N	1	0	361.421	1.715	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000282870537	537342111	/nfs/dbraw/zinc/34/21/11/537342111.db2.gz	OZZSKJOBRJHDSA-HNNXBMFYSA-N	1	0	363.487	1.258	20	30		FDEDRO
Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C#N)cn2)[NH+](C)C)cc1	ZINC000293130805	537361929	/nfs/dbraw/zinc/36/19/29/537361929.db2.gz	RBRJKWDOSNWZGK-INIZCTEOSA-N	1	0	351.410	1.619	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c(F)c1	ZINC000283295915	537366459	/nfs/dbraw/zinc/36/64/59/537366459.db2.gz	ONSIAZYUDZMLCA-CQSZACIVSA-N	1	0	361.392	1.829	20	30		FDEDRO
C=CCn1c(-c2cccn2C)nnc1N1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000283540310	537380989	/nfs/dbraw/zinc/38/09/89/537380989.db2.gz	PAWDGUOHQVPNJJ-UHFFFAOYSA-N	1	0	371.489	1.070	20	30		FDEDRO
Cc1cc(C#N)ccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C	ZINC000285974298	537394616	/nfs/dbraw/zinc/39/46/16/537394616.db2.gz	QRKVTEZZCAVHDN-ALOPSCKCSA-N	1	0	354.454	1.680	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1	ZINC000283964970	537398397	/nfs/dbraw/zinc/39/83/97/537398397.db2.gz	GJXPXORMTPHCJF-SFHVURJKSA-N	1	0	358.486	1.126	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1	ZINC000365041617	537417029	/nfs/dbraw/zinc/41/70/29/537417029.db2.gz	SCAOSVUAQRFRNK-ROUUACIJSA-N	1	0	354.454	1.507	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1	ZINC000293353228	537426786	/nfs/dbraw/zinc/42/67/86/537426786.db2.gz	FWFRHUSIKNMOHO-AWEZNQCLSA-N	1	0	370.453	1.838	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000290850993	537427649	/nfs/dbraw/zinc/42/76/49/537427649.db2.gz	RDRDPSLRWNZWOK-PXNSSMCTSA-N	1	0	359.470	1.327	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1	ZINC000287201262	537441248	/nfs/dbraw/zinc/44/12/48/537441248.db2.gz	FUIGUULQVJMLCH-HOCLYGCPSA-N	1	0	357.454	1.609	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC	ZINC000276397035	537476407	/nfs/dbraw/zinc/47/64/07/537476407.db2.gz	JVUPEDFEUGNVHT-UHFFFAOYSA-N	1	0	374.485	1.810	20	30		FDEDRO
N#Cc1ccsc1NC(=O)CC[NH+]1CCC(N2C(=O)CCCC2=O)CC1	ZINC000365291654	537479365	/nfs/dbraw/zinc/47/93/65/537479365.db2.gz	PPTOMWNVZZWZAX-UHFFFAOYSA-N	1	0	374.466	1.952	20	30		FDEDRO
Cc1ccc([C@@H]([NH2+]CCC(=O)N(C)CCC#N)[C@H](C)S(C)(=O)=O)cc1	ZINC000280910681	537479647	/nfs/dbraw/zinc/47/96/47/537479647.db2.gz	SBSOPOOJLCOGKM-YJBOKZPZSA-N	1	0	365.499	1.821	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c(C)cc1C	ZINC000280912096	537480558	/nfs/dbraw/zinc/48/05/58/537480558.db2.gz	CQUMTFMDKBGLLW-UHFFFAOYSA-N	1	0	360.458	1.945	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc2nc(C3CC3)oc2c1	ZINC000293518525	537497779	/nfs/dbraw/zinc/49/77/79/537497779.db2.gz	YQDZDMJVYYHUCT-UHFFFAOYSA-N	1	0	354.410	1.715	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)NC3CC[NH+](C4CC4)CC3)CC2)c1C#N	ZINC000291253754	537550516	/nfs/dbraw/zinc/55/05/16/537550516.db2.gz	YOTCEOTVILKPJK-UHFFFAOYSA-N	1	0	374.514	1.782	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1cc(C(=O)OCC)ccc1OC	ZINC000293694720	537564325	/nfs/dbraw/zinc/56/43/25/537564325.db2.gz	CCQNYVOEEIUOHU-UHFFFAOYSA-N	1	0	368.455	1.105	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1	ZINC000289541415	537576238	/nfs/dbraw/zinc/57/62/38/537576238.db2.gz	WRKIKZVVVDDIES-UHFFFAOYSA-N	1	0	359.470	1.464	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cnc(C(F)(F)F)c(C#N)c3)[C@@H]2C1	ZINC000293793317	537592114	/nfs/dbraw/zinc/59/21/14/537592114.db2.gz	CQIBLMSTAFZLTP-OLZOCXBDSA-N	1	0	354.332	1.517	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)CS[C@@H](C)C(=O)Nc1cc(C)on1	ZINC000293879787	537615700	/nfs/dbraw/zinc/61/57/00/537615700.db2.gz	CNOOHKGUOFOPNS-ZDUSSCGKSA-N	1	0	352.460	1.115	20	30		FDEDRO
C#CCOc1ccc(C[NH+]2CCC(C(=O)N3CCN(C)CC3)CC2)cc1	ZINC000289932146	537630152	/nfs/dbraw/zinc/63/01/52/537630152.db2.gz	WLOTXXNLNYLAHB-UHFFFAOYSA-N	1	0	355.482	1.685	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@](C)(C[NH3+])C2CC2)ccc1F	ZINC000237612528	537633956	/nfs/dbraw/zinc/63/39/56/537633956.db2.gz	MHFMGKGIDZYXQX-MRXNPFEDSA-N	1	0	355.435	1.147	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1	ZINC000329028256	537633957	/nfs/dbraw/zinc/63/39/57/537633957.db2.gz	KMICWWDRERFJGO-PVAVHDDUSA-N	1	0	364.490	1.096	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1ccc(C#N)c(F)c1	ZINC000289959501	537636401	/nfs/dbraw/zinc/63/64/01/537636401.db2.gz	WVPIMYBACCPECS-INIZCTEOSA-N	1	0	361.421	1.762	20	30		FDEDRO
CN(C[C@@H]1CCCC[C@@H]1O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000329420726	537636751	/nfs/dbraw/zinc/63/67/51/537636751.db2.gz	GYOMIPMTSTZOEY-RANZSIQMSA-N	1	0	353.507	1.761	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)NC3(CO)CCCC3)cn2)CC1	ZINC000329914892	537645135	/nfs/dbraw/zinc/64/51/35/537645135.db2.gz	CTGLTTVEIZTVCO-UHFFFAOYSA-N	1	0	361.490	1.532	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@H](C)c3ncnn3C)CC2)CC1	ZINC000329920326	537645950	/nfs/dbraw/zinc/64/59/50/537645950.db2.gz	GYEXXJABIRFEKB-OAHLLOKOSA-N	1	0	363.510	1.281	20	30		FDEDRO
Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)o1	ZINC000329921647	537646131	/nfs/dbraw/zinc/64/61/31/537646131.db2.gz	SRTHTVQHIDISBR-GUTXKFCHSA-N	1	0	366.441	1.377	20	30		FDEDRO
Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)o1	ZINC000329921648	537646302	/nfs/dbraw/zinc/64/63/02/537646302.db2.gz	SRTHTVQHIDISBR-YDHLFZDLSA-N	1	0	366.441	1.377	20	30		FDEDRO
CNS(=O)(=O)c1ccc(C(=O)NCC[N@H+](C)C2CCCCC2)cn1	ZINC000331001104	537663325	/nfs/dbraw/zinc/66/33/25/537663325.db2.gz	FOUOUVAXPCCIRM-UHFFFAOYSA-N	1	0	354.476	1.559	20	30		FDEDRO
Cc1cnn([C@@H]2CC[N@@H+](CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)C2)c1	ZINC000290090674	537668894	/nfs/dbraw/zinc/66/88/94/537668894.db2.gz	ZPGXGTUIHNIRLD-MSOLQXFVSA-N	1	0	358.490	1.131	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)NC3CC[NH+](C4CC4)CC3)C2)nc1	ZINC000291759384	537672942	/nfs/dbraw/zinc/67/29/42/537672942.db2.gz	URBFHNSEELJSPO-QGZVFWFLSA-N	1	0	355.442	1.743	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1	ZINC000291817928	537680152	/nfs/dbraw/zinc/68/01/52/537680152.db2.gz	NSIBVRQUVBKQJB-OXQOHEQNSA-N	1	0	359.470	1.704	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1	ZINC000292007515	537698425	/nfs/dbraw/zinc/69/84/25/537698425.db2.gz	RTOYSSFPKPPANI-UHFFFAOYSA-N	1	0	367.409	1.405	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000292062359	537704329	/nfs/dbraw/zinc/70/43/29/537704329.db2.gz	WSSQISATXITPBG-DLBZAZTESA-N	1	0	357.458	1.848	20	30		FDEDRO
C#CCNc1nc(NCCC(C)(C)CO)[nH+]c(NCCC(C)(C)CO)n1	ZINC000294928544	537709630	/nfs/dbraw/zinc/70/96/30/537709630.db2.gz	JYFSBBCSLVOFSS-UHFFFAOYSA-N	1	0	364.494	1.558	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2cccc3c2OCCCO3)CC1	ZINC000285541958	537728709	/nfs/dbraw/zinc/72/87/09/537728709.db2.gz	PQRUONYFNAMJSU-UHFFFAOYSA-N	1	0	373.453	1.231	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000285583997	537733449	/nfs/dbraw/zinc/73/34/49/537733449.db2.gz	AEHXYWHQQFWKEJ-UHFFFAOYSA-N	1	0	374.485	1.019	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1	ZINC000292583010	537746739	/nfs/dbraw/zinc/74/67/39/537746739.db2.gz	SANAXJHRXRAEHA-SFHVURJKSA-N	1	0	358.486	1.890	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cnn(CC(F)F)c3)C2=O)cc1	ZINC000292652605	537752269	/nfs/dbraw/zinc/75/22/69/537752269.db2.gz	LCWFIASHJFOVSG-MRXNPFEDSA-N	1	0	359.380	1.911	20	30		FDEDRO
C[NH+](C)C[C@@](C)(O)CNC(=O)NCC1CCN(c2ccccc2C#N)CC1	ZINC000371263270	537795256	/nfs/dbraw/zinc/79/52/56/537795256.db2.gz	WOYKVCTZNLYTFB-FQEVSTJZSA-N	1	0	373.501	1.386	20	30		FDEDRO
C[C@]1(NS(=O)(=O)c2cncc(C#N)c2)CC[N@H+](Cc2ccccc2)C1	ZINC000405955557	537810764	/nfs/dbraw/zinc/81/07/64/537810764.db2.gz	KCVVZVAXUVOAFZ-SFHVURJKSA-N	1	0	356.451	1.896	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)cc1F	ZINC000418891964	537824920	/nfs/dbraw/zinc/82/49/20/537824920.db2.gz	VHMKSCCGYPXSTJ-AEFFLSMTSA-N	1	0	372.444	1.694	20	30		FDEDRO
C[C@@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)C(=O)N(CCC#N)c1ccccc1	ZINC000371793553	537831457	/nfs/dbraw/zinc/83/14/57/537831457.db2.gz	YKPDWRDLXLHLEU-APWZRJJASA-N	1	0	356.470	1.775	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1	ZINC000418912481	537843619	/nfs/dbraw/zinc/84/36/19/537843619.db2.gz	DDGUYLWJQLEBCF-OAHLLOKOSA-N	1	0	374.510	1.414	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1	ZINC000418913437	537845167	/nfs/dbraw/zinc/84/51/67/537845167.db2.gz	FBSKHFBUYZPCDN-UAGQMJEPSA-N	1	0	372.494	1.103	20	30		FDEDRO
N#C[C@@H]1CN(S(=O)(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CCO1	ZINC000409571551	537861988	/nfs/dbraw/zinc/86/19/88/537861988.db2.gz	ASJODHFPYIGKDT-QGZVFWFLSA-N	1	0	370.519	1.044	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)NC[C@H](C1CCCCC1)[NH+](C)C	ZINC000409576564	537864085	/nfs/dbraw/zinc/86/40/85/537864085.db2.gz	WMYNJPVRPKSKHI-MRXNPFEDSA-N	1	0	360.524	1.193	20	30		FDEDRO
COC(=O)[C@H]1CN(Cc2nnc(-c3cccc(C#N)c3)o2)CC[N@H+](C)C1	ZINC000411907462	537896196	/nfs/dbraw/zinc/89/61/96/537896196.db2.gz	PHIFTKYWDUHSMB-OAHLLOKOSA-N	1	0	355.398	1.145	20	30		FDEDRO
C=C(CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1	ZINC000376762943	537903522	/nfs/dbraw/zinc/90/35/22/537903522.db2.gz	HNINWMADMAEXRJ-LJQANCHMSA-N	1	0	358.486	1.406	20	30		FDEDRO
COC[C@H](C)OC[C@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000367583013	537963624	/nfs/dbraw/zinc/96/36/24/537963624.db2.gz	AMXMWFBNHNSWCS-GOEBONIOSA-N	1	0	366.433	1.953	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCC(c3c[nH]cn3)CC2)CC1	ZINC000367615950	537966282	/nfs/dbraw/zinc/96/62/82/537966282.db2.gz	FAPQAXKVPPQZNM-SFHVURJKSA-N	1	0	358.490	1.281	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CCN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)nc1	ZINC000377563038	537978621	/nfs/dbraw/zinc/97/86/21/537978621.db2.gz	MKPOCUUDVCAINU-BRWVUGGUSA-N	1	0	360.483	1.143	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C	ZINC000415464481	538063119	/nfs/dbraw/zinc/06/31/19/538063119.db2.gz	CVCLZIBZQQNEAD-IUODEOHRSA-N	1	0	362.430	1.818	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N(CC[NH3+])Cc1ccccc1	ZINC000415593167	538081118	/nfs/dbraw/zinc/08/11/18/538081118.db2.gz	OINHXAIKMFOTSZ-UHFFFAOYSA-N	1	0	366.421	1.883	20	30		FDEDRO
Cc1nc(CN2CCC[C@H]([NH2+][C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)no1	ZINC000370980076	538096303	/nfs/dbraw/zinc/09/63/03/538096303.db2.gz	SAARSFPCOYBVIJ-HOCLYGCPSA-N	1	0	374.489	1.663	20	30		FDEDRO
C=CCN(C(=O)[C@@H]1C[C@@]12CC[NH2+]C2)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000444125787	538119005	/nfs/dbraw/zinc/11/90/05/538119005.db2.gz	YWYGIPHCCKAEKW-UCLAIMLFSA-N	1	0	352.442	1.738	20	30		FDEDRO
COCCOC[C@@H](O)C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000450326614	538121170	/nfs/dbraw/zinc/12/11/70/538121170.db2.gz	IBRFGDPMUNAGFL-KRWDZBQOSA-N	1	0	370.453	1.252	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[C@@H]1CCC[NH2+]C1	ZINC000419889454	538132570	/nfs/dbraw/zinc/13/25/70/538132570.db2.gz	MHKRLWKEVZOTFT-HNAYVOBHSA-N	1	0	366.465	1.678	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1	ZINC000419906242	538140269	/nfs/dbraw/zinc/14/02/69/538140269.db2.gz	WPHLVZIXGPTUSA-CRAIPNDOSA-N	1	0	372.469	1.038	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1	ZINC000419931516	538153776	/nfs/dbraw/zinc/15/37/76/538153776.db2.gz	CSTUGJHUCVKNKA-OAHLLOKOSA-N	1	0	360.414	1.368	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)C(=O)Nc2cccc(OCC[NH+](C)C)c2)C1=O	ZINC000439349085	538172366	/nfs/dbraw/zinc/17/23/66/538172366.db2.gz	LZAFXKKUSCCMAP-QGZVFWFLSA-N	1	0	360.458	1.878	20	30		FDEDRO
CC(C)(C)[NH2+]CCNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O	ZINC000439495629	538182988	/nfs/dbraw/zinc/18/29/88/538182988.db2.gz	STMBKCFOQGIREB-OAHLLOKOSA-N	1	0	371.441	1.268	20	30		FDEDRO
C=CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C	ZINC000420073796	538202115	/nfs/dbraw/zinc/20/21/15/538202115.db2.gz	YVRXABOITGYDNE-BBRMVZONSA-N	1	0	363.433	1.570	20	30		FDEDRO
CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCCN(c2ccccc2C#N)CC1	ZINC000420115403	538228049	/nfs/dbraw/zinc/22/80/49/538228049.db2.gz	FJJZICXAQMJDBB-QGZVFWFLSA-N	1	0	371.485	1.231	20	30		FDEDRO
CC[C@]1(c2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc2)CCC(=O)NC1=O	ZINC000424089154	538231624	/nfs/dbraw/zinc/23/16/24/538231624.db2.gz	VJFJBKDEAZFQKP-DNVCBOLYSA-N	1	0	356.426	1.731	20	30		FDEDRO
COC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccc(Br)cc1	ZINC000424112575	538236804	/nfs/dbraw/zinc/23/68/04/538236804.db2.gz	KMPHZGSXAJJRLK-STQMWFEESA-N	1	0	368.231	1.801	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2	ZINC000424119103	538240128	/nfs/dbraw/zinc/24/01/28/538240128.db2.gz	FCMMJXATFAAPEV-SJORKVTESA-N	1	0	370.453	1.962	20	30		FDEDRO
CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)[C@H]([NH3+])CCCC#N	ZINC000424118854	538240438	/nfs/dbraw/zinc/24/04/38/538240438.db2.gz	FBOMJRZQDABZPH-LLVKDONJSA-N	1	0	355.341	1.996	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)C1	ZINC000420416656	538290477	/nfs/dbraw/zinc/29/04/77/538290477.db2.gz	GPOSNGBTSJOSQC-NXEZZACHSA-N	1	0	358.261	1.679	20	30		FDEDRO
C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1cccc(Br)c1C#N	ZINC000420428794	538294124	/nfs/dbraw/zinc/29/41/24/538294124.db2.gz	LMQNUKPSGZGRMH-JOYOIKCWSA-N	1	0	358.261	1.597	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NCC(=O)N[C@H](C)c1ccc(F)cc1	ZINC000451679493	538301179	/nfs/dbraw/zinc/30/11/79/538301179.db2.gz	HOEUKUICUDYIPV-XYPHTWIQSA-N	1	0	363.433	1.442	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N[C@H](CC[NH3+])C(F)F)cc1Br	ZINC000420470335	538301674	/nfs/dbraw/zinc/30/16/74/538301674.db2.gz	WWJBYIOETSZXBY-SNVBAGLBSA-N	1	0	368.203	1.582	20	30		FDEDRO
N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1	ZINC000446805980	538321223	/nfs/dbraw/zinc/32/12/23/538321223.db2.gz	JNHMGDNCGZXNNP-UONOGXRCSA-N	1	0	369.512	1.941	20	30		FDEDRO
CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000451789879	538323927	/nfs/dbraw/zinc/32/39/27/538323927.db2.gz	XLSWFERMDFAWBL-KGLIPLIRSA-N	1	0	351.428	1.048	20	30		FDEDRO
COCCO[C@H]1C[C@H](CO)C[N@H+](CCC(=O)Nc2sccc2C#N)C1	ZINC000447388639	538377368	/nfs/dbraw/zinc/37/73/68/538377368.db2.gz	XAUNYYUNRNBDBP-ZFWWWQNUSA-N	1	0	367.471	1.294	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CCCN2CCN(c3ncccn3)CC2)cc1F	ZINC000421334248	538396803	/nfs/dbraw/zinc/39/68/03/538396803.db2.gz	PRFSUPZLPHZQKB-UHFFFAOYSA-N	1	0	354.433	1.789	20	30		FDEDRO
C[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1	ZINC000423526481	538398611	/nfs/dbraw/zinc/39/86/11/538398611.db2.gz	LIATVTUKXYWESC-RBUKOAKNSA-N	1	0	368.481	1.743	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)Nc3cccc(OCCCC#N)c3)[C@@H]2C1	ZINC000425823604	538412896	/nfs/dbraw/zinc/41/28/96/538412896.db2.gz	WSMUYHAXXQIFTC-MAUKXSAKSA-N	1	0	370.453	1.860	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)CCC2=O	ZINC000453713103	538418897	/nfs/dbraw/zinc/41/88/97/538418897.db2.gz	TXJFGEHFROUFFU-UHFFFAOYSA-N	1	0	356.426	1.448	20	30		FDEDRO
C=C(C)CN(C)C(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000460052858	538460240	/nfs/dbraw/zinc/46/02/40/538460240.db2.gz	FMMXMQLCIHZMIV-HZPDHXFCSA-N	1	0	351.491	1.369	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC[N@H+]2CCCC2(C)C)cc1	ZINC000454067313	538504357	/nfs/dbraw/zinc/50/43/57/538504357.db2.gz	IYQYRWYVXVWIKL-UHFFFAOYSA-N	1	0	372.469	1.532	20	30		FDEDRO
Cc1cc(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)ncc1C#N	ZINC000457672325	538506801	/nfs/dbraw/zinc/50/68/01/538506801.db2.gz	BYFJWZYJGRTJTB-QZTJIDSGSA-N	1	0	350.422	1.627	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000454105572	538513858	/nfs/dbraw/zinc/51/38/58/538513858.db2.gz	QKXNYLPXGWGRON-OAHLLOKOSA-N	1	0	359.474	1.994	20	30		FDEDRO
C=CCOC[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)C(=O)OC	ZINC000481749732	538552598	/nfs/dbraw/zinc/55/25/98/538552598.db2.gz	MMAROJPVCIIFET-SFHVURJKSA-N	1	0	360.454	1.759	20	30		FDEDRO
CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1	ZINC000472096453	538578042	/nfs/dbraw/zinc/57/80/42/538578042.db2.gz	KOMMLLJIUJGFJP-CQSZACIVSA-N	1	0	361.494	1.162	20	30		FDEDRO
N#CCCn1cc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c(-c2ccncc2)n1	ZINC000481820891	538578537	/nfs/dbraw/zinc/57/85/37/538578537.db2.gz	ZILQFESNLWSRBR-AEFFLSMTSA-N	1	0	355.442	1.593	20	30		FDEDRO
CNC(=O)CCOC1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000494982737	538618350	/nfs/dbraw/zinc/61/83/50/538618350.db2.gz	YTIUGSZOACEJBM-UHFFFAOYSA-N	1	0	358.442	1.504	20	30		FDEDRO
C[C@H]1NC(=O)N(CC[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C1=O	ZINC000459359684	538682183	/nfs/dbraw/zinc/68/21/83/538682183.db2.gz	MHHQCYPCCBRWGC-CYBMUJFWSA-N	1	0	369.425	1.149	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1	ZINC000459934642	538711568	/nfs/dbraw/zinc/71/15/68/538711568.db2.gz	FMSGEESVMIONNO-GOSISDBHSA-N	1	0	354.454	1.603	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C2=O)cc1	ZINC000560679107	545578688	/nfs/dbraw/zinc/57/86/88/545578688.db2.gz	XCDZAZSYZSRWTC-GOSISDBHSA-N	1	0	359.389	1.737	20	30		FDEDRO
C[C@H]1CN(C(=O)CNc2cccc(C#N)c2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000497479280	538762096	/nfs/dbraw/zinc/76/20/96/538762096.db2.gz	ZGCDFAOHEZDMNW-QFBILLFUSA-N	1	0	355.486	1.455	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)[C@@H](C[NH3+])c3ccc(F)cc3)CC2)c1	ZINC000479055649	538781807	/nfs/dbraw/zinc/78/18/07/538781807.db2.gz	MXDBUWOFIZDFBP-KRWDZBQOSA-N	1	0	353.401	1.483	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[C@H]2CCO[C@@H](C)C2)CC1	ZINC000561414482	545838312	/nfs/dbraw/zinc/83/83/12/545838312.db2.gz	DJHSQZHFLPLHCL-HOTGVXAUSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2c2ccccn2)CC1	ZINC000561439179	545853000	/nfs/dbraw/zinc/85/30/00/545853000.db2.gz	JCXDPAZWMBQQOC-GOSISDBHSA-N	1	0	356.470	1.902	20	30		FDEDRO
N#C[C@@H](CCc1ccccc1)C(=O)NCC(=O)NCC[NH+]1CCCCCC1	ZINC000562195204	546053208	/nfs/dbraw/zinc/05/32/08/546053208.db2.gz	TZZPAVVEGNNDCU-LJQANCHMSA-N	1	0	370.497	1.867	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)NCC[C@H]3CCC[NH2+]3)C2=O)cc1	ZINC000562805731	546275065	/nfs/dbraw/zinc/27/50/65/546275065.db2.gz	ONLFBSDEKUFLSR-NVXWUHKLSA-N	1	0	355.442	1.495	20	30		FDEDRO
Cn1nccc1[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCO1	ZINC000562998344	546348769	/nfs/dbraw/zinc/34/87/69/546348769.db2.gz	GDYYBICBZMMVAM-YJBOKZPZSA-N	1	0	374.466	1.575	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1	ZINC000563003602	546350194	/nfs/dbraw/zinc/35/01/94/546350194.db2.gz	VNXGPHXUQYCKLG-UXHICEINSA-N	1	0	360.502	1.073	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CNC(=O)C(=O)Nc2cccc(C#N)n2)cc1	ZINC000563094453	546400328	/nfs/dbraw/zinc/40/03/28/546400328.db2.gz	CVECUIUWDFAWBI-UHFFFAOYSA-N	1	0	367.409	1.149	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CNc1ccc(C#N)cn1	ZINC000563187981	546437424	/nfs/dbraw/zinc/43/74/24/546437424.db2.gz	YTEMVSLXUCTTNZ-LPHOPBHVSA-N	1	0	363.465	2.392	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CNc1ccc(C#N)cn1	ZINC000563187983	546437895	/nfs/dbraw/zinc/43/78/95/546437895.db2.gz	YTEMVSLXUCTTNZ-VQIMIIECSA-N	1	0	363.465	2.392	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1F	ZINC000563605760	546610778	/nfs/dbraw/zinc/61/07/78/546610778.db2.gz	DJENFFKHEPNIPN-MRXNPFEDSA-N	1	0	373.432	1.051	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1	ZINC000563617998	546616889	/nfs/dbraw/zinc/61/68/89/546616889.db2.gz	MSYHIAFSIGISKS-UKRRQHHQSA-N	1	0	354.857	1.854	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1	ZINC000563863479	546712783	/nfs/dbraw/zinc/71/27/83/546712783.db2.gz	KBQUPNNNOWTFQQ-ZACQAIPSSA-N	1	0	370.515	1.268	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)n1	ZINC000563944074	546746014	/nfs/dbraw/zinc/74/60/14/546746014.db2.gz	SQMAWTPFEGZTMK-WFASDCNBSA-N	1	0	354.389	2.099	20	30		FDEDRO
C[C@H](O)CN(CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1	ZINC000564146221	546822032	/nfs/dbraw/zinc/82/20/32/546822032.db2.gz	BRSYOZSMTVQWEB-HNNXBMFYSA-N	1	0	359.451	1.610	20	30		FDEDRO
CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000564542524	546946701	/nfs/dbraw/zinc/94/67/01/546946701.db2.gz	GLEGLDHQUQDQSA-KBPBESRZSA-N	1	0	366.487	1.070	20	30		FDEDRO
Cc1ccc(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)cc1S(C)(=O)=O	ZINC000564651390	546988857	/nfs/dbraw/zinc/98/88/57/546988857.db2.gz	NQCZZEXISSECSO-KRWDZBQOSA-N	1	0	374.462	1.800	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(CC#N)cc2)[C@@H](C)C1	ZINC000564955655	547127232	/nfs/dbraw/zinc/12/72/32/547127232.db2.gz	UPRTYIYWCZAHOO-YJBOKZPZSA-N	1	0	356.470	1.558	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC3CCC2(C[NH3+])CC3)c1	ZINC000565151884	547221504	/nfs/dbraw/zinc/22/15/04/547221504.db2.gz	VICJKLOSXRYJBK-UHFFFAOYSA-N	1	0	363.483	1.494	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCO[C@@H](C2CC2)C1)C(C)C	ZINC000565378234	547327231	/nfs/dbraw/zinc/32/72/31/547327231.db2.gz	QQIWFBBRAUIKSB-QZTJIDSGSA-N	1	0	363.502	1.439	20	30		FDEDRO
C[C@@H]1C[C@@H](CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C[C@H](C)O1	ZINC000565478852	547366871	/nfs/dbraw/zinc/36/68/71/547366871.db2.gz	RFAAKWCMZJWMMU-QDMKHBRRSA-N	1	0	351.472	1.910	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1	ZINC000566063217	547585054	/nfs/dbraw/zinc/58/50/54/547585054.db2.gz	JIVYMYXDZZUBJX-SQNIBIBYSA-N	1	0	350.894	1.881	20	30		FDEDRO
C[C@H](C[C@H](C)[NH3+])NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000566194120	547652313	/nfs/dbraw/zinc/65/23/13/547652313.db2.gz	ZYXKDYCERKQBFI-UONOGXRCSA-N	1	0	369.473	1.684	20	30		FDEDRO
Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2cc(C)c(C#N)cn2)o1	ZINC000566448032	547762982	/nfs/dbraw/zinc/76/29/82/547762982.db2.gz	RMSSIGXRUJKYFV-UHFFFAOYSA-N	1	0	369.425	1.692	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@]3(CCSC3)C2)CC1	ZINC000566543863	547799852	/nfs/dbraw/zinc/79/98/52/547799852.db2.gz	GICZKAOQURHSFU-MJGOQNOKSA-N	1	0	364.559	1.898	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N(C)C1CCOCC1)C(C)C	ZINC000566634959	547835675	/nfs/dbraw/zinc/83/56/75/547835675.db2.gz	JLJNLDZPTFUMFM-QGZVFWFLSA-N	1	0	351.491	1.439	20	30		FDEDRO
O=C(NCC#Cc1cccc(F)c1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC000566784548	547884074	/nfs/dbraw/zinc/88/40/74/547884074.db2.gz	JNSBEEOXPBGFEQ-OALUTQOASA-N	1	0	359.445	1.854	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1cnccc1OC	ZINC000567493934	548139094	/nfs/dbraw/zinc/13/90/94/548139094.db2.gz	OKHYWWMNWHWTAB-UHFFFAOYSA-N	1	0	354.366	1.615	20	30		FDEDRO
Cc1ccc([C@@H](OC[C@@H](O)C[NH2+]CC(=O)NCC#N)c2ccccc2)cc1	ZINC000567707382	548222833	/nfs/dbraw/zinc/22/28/33/548222833.db2.gz	SASMZJJBKFMJKR-FPOVZHCZSA-N	1	0	367.449	1.691	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1cccc(C#N)n1	ZINC000567835181	548280742	/nfs/dbraw/zinc/28/07/42/548280742.db2.gz	DAOIBEFGGKPKIQ-WMLDXEAASA-N	1	0	363.421	1.528	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1cccc(C#N)n1	ZINC000567835180	548281098	/nfs/dbraw/zinc/28/10/98/548281098.db2.gz	DAOIBEFGGKPKIQ-RHSMWYFYSA-N	1	0	363.421	1.528	20	30		FDEDRO
O=C(NCC#Cc1cccc(F)c1)NC1CCC(N2CC[NH2+]CC2)CC1	ZINC000567871824	548300834	/nfs/dbraw/zinc/30/08/34/548300834.db2.gz	QVFKZWZMEQUGGS-UHFFFAOYSA-N	1	0	358.461	1.693	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]([C@H]2CCCO2)C2(CO)CCC2)cc1	ZINC000567872856	548301985	/nfs/dbraw/zinc/30/19/85/548301985.db2.gz	IJWJIHJKHDAVKU-RLLQIKCJSA-N	1	0	374.481	1.792	20	30		FDEDRO
CC1(C)[C@H](O)C[C@H]1[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000568410643	548526768	/nfs/dbraw/zinc/52/67/68/548526768.db2.gz	UGFAUEJYPBLDFI-FVQBIDKESA-N	1	0	362.499	1.206	20	30		FDEDRO
CN(CCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1	ZINC000568871125	548713666	/nfs/dbraw/zinc/71/36/66/548713666.db2.gz	NDWKUKPKEYCIDZ-UHFFFAOYSA-N	1	0	372.494	1.839	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1	ZINC000569605327	548979929	/nfs/dbraw/zinc/97/99/29/548979929.db2.gz	VSOHVQJRDPVDTN-KBPBESRZSA-N	1	0	364.471	1.836	20	30		FDEDRO
COC(=O)c1cn(CC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)nn1	ZINC000570011588	549126914	/nfs/dbraw/zinc/12/69/14/549126914.db2.gz	JHFYSYKKOAEGTH-UHFFFAOYSA-N	1	0	353.304	1.745	20	30		FDEDRO
N#CCC1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC1	ZINC000570154099	549177167	/nfs/dbraw/zinc/17/71/67/549177167.db2.gz	WEFUHSQGXUELEY-DOTOQJQBSA-N	1	0	358.417	1.231	20	30		FDEDRO
N#Cc1ccc2c(c1)N(C(=O)C(=O)N[C@@H]1CC[N@@H+](C3CCCC3)C1)CC2	ZINC000570289452	549227531	/nfs/dbraw/zinc/22/75/31/549227531.db2.gz	VTKTVDIRUJCHBT-MRXNPFEDSA-N	1	0	352.438	1.580	20	30		FDEDRO
COC(=O)c1ccc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)c(C#N)n1	ZINC000570462442	549289038	/nfs/dbraw/zinc/28/90/38/549289038.db2.gz	GIHKZCWLXNOMEN-UHFFFAOYSA-N	1	0	371.485	1.735	20	30		FDEDRO
N#Cc1cccnc1OC1CCC(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1	ZINC000570549373	549321496	/nfs/dbraw/zinc/32/14/96/549321496.db2.gz	UVRBFDGUQZJSCL-MRLCAUJQSA-N	1	0	369.469	1.894	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1	ZINC000570811295	549420807	/nfs/dbraw/zinc/42/08/07/549420807.db2.gz	JBWUJXKMPQUJDZ-UHFFFAOYSA-N	1	0	356.426	1.496	20	30		FDEDRO
Cn1cc(N2CCC[C@H]([NH2+]C[C@H](O)COc3ccc(C#N)cc3)C2)cn1	ZINC000571158807	549546761	/nfs/dbraw/zinc/54/67/61/549546761.db2.gz	XLAYDNUCHBSFEC-WMZOPIPTSA-N	1	0	355.442	1.290	20	30		FDEDRO
CO[C@@H](CS(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)C1CC1	ZINC000571399701	549631184	/nfs/dbraw/zinc/63/11/84/549631184.db2.gz	FYGPYFCNBLDFHL-SFHVURJKSA-N	1	0	365.499	1.677	20	30		FDEDRO
C[NH+](C)C1CCN(C(=O)Cc2noc(Cc3cccc(C#N)c3)n2)CC1	ZINC000571488185	549662434	/nfs/dbraw/zinc/66/24/34/549662434.db2.gz	KORPMSPAIKITFU-UHFFFAOYSA-N	1	0	353.426	1.627	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000571586568	549699091	/nfs/dbraw/zinc/69/90/91/549699091.db2.gz	QPZSLIBXGLDJMN-RTBURBONSA-N	1	0	355.482	1.987	20	30		FDEDRO
CO[C@H]1CCN(C(=O)CSc2nc(C)c(C)c(C)c2C#N)[C@@H](C[NH3+])C1	ZINC000571651558	549722400	/nfs/dbraw/zinc/72/24/00/549722400.db2.gz	GBEFCASCPRCRRS-CABCVRRESA-N	1	0	362.499	1.935	20	30		FDEDRO
CC(C)[C@H](C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1)N1CC[NH+](C)CC1	ZINC000571874927	549788188	/nfs/dbraw/zinc/78/81/88/549788188.db2.gz	GQLUKDNGXNMYIP-FPOVZHCZSA-N	1	0	374.529	1.354	20	30		FDEDRO
CC(C)C[NH+]1CCC(NCCS(=O)(=O)c2ccc(C#N)cn2)CC1	ZINC000572028546	549827190	/nfs/dbraw/zinc/82/71/90/549827190.db2.gz	CCLXQFFVSPBRDQ-UHFFFAOYSA-N	1	0	350.488	1.437	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCCC[N@H+]1CC(C)C	ZINC000572196443	549862669	/nfs/dbraw/zinc/86/26/69/549862669.db2.gz	YSBSRCGFYYCTIW-KSZLIROESA-N	1	0	365.518	1.711	20	30		FDEDRO
C[NH+](C)CCC1CCN(C(=O)C(=O)NCc2ccc(CC#N)cc2)CC1	ZINC000572241807	549872814	/nfs/dbraw/zinc/87/28/14/549872814.db2.gz	HRGKMGBUNOMTJM-UHFFFAOYSA-N	1	0	356.470	1.559	20	30		FDEDRO
CCN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C1COC1	ZINC000572353506	549895629	/nfs/dbraw/zinc/89/56/29/549895629.db2.gz	NPKQNBUHRNHBHP-GOSISDBHSA-N	1	0	360.433	1.255	20	30		FDEDRO
C[NH2+]CCCC(=O)N1CCC(NC(=O)Nc2ccc(C#N)c(F)c2)CC1	ZINC000572498090	549929349	/nfs/dbraw/zinc/92/93/49/549929349.db2.gz	IQORAAYAOYBUNN-UHFFFAOYSA-N	1	0	361.421	1.809	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C1CCOCC1	ZINC000572550522	549940556	/nfs/dbraw/zinc/94/05/56/549940556.db2.gz	NBSCPJAIPLXPLS-LJQANCHMSA-N	1	0	374.460	1.645	20	30		FDEDRO
N#Cc1ncn(CC[NH2+]C[C@@H](O)COc2ccc(-c3ccccc3)cc2)n1	ZINC000572715218	549978035	/nfs/dbraw/zinc/97/80/35/549978035.db2.gz	WDVZVOPIDPXYGT-GOSISDBHSA-N	1	0	363.421	1.846	20	30		FDEDRO
C=CCN(C(=O)[C@H]([NH3+])CCC(=O)OC)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000572764977	549989646	/nfs/dbraw/zinc/98/96/46/549989646.db2.gz	WVWDRMWBLRDGGU-XJKSGUPXSA-N	1	0	372.429	1.018	20	30		FDEDRO
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1	ZINC000572787960	549994500	/nfs/dbraw/zinc/99/45/00/549994500.db2.gz	DBNOGPYQWCARGD-SFHVURJKSA-N	1	0	368.481	1.896	20	30		FDEDRO
COc1ncc(C(=O)NC2(C#N)CC[NH+](C)CC2)cc1Br	ZINC000572953823	550031358	/nfs/dbraw/zinc/03/13/58/550031358.db2.gz	XTCQFMBSRMNCKH-UHFFFAOYSA-N	1	0	353.220	1.570	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)C2)c(F)c1	ZINC000573073959	550057551	/nfs/dbraw/zinc/05/75/51/550057551.db2.gz	MMWDKEJDZDGCOO-XHSDSOJGSA-N	1	0	357.433	1.527	20	30		FDEDRO
N#CCC[C@@H](C#N)C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2	ZINC000573084282	550059472	/nfs/dbraw/zinc/05/94/72/550059472.db2.gz	PHJBHNLBMWGYQF-YTQUADARSA-N	1	0	351.454	1.618	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)cc1	ZINC000573206974	550087229	/nfs/dbraw/zinc/08/72/29/550087229.db2.gz	XIWRUZJCPFFSDB-MOPGFXCFSA-N	1	0	368.481	1.750	20	30		FDEDRO
C[C@@H]1Cc2ccccc2N1CC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000573357609	550119702	/nfs/dbraw/zinc/11/97/02/550119702.db2.gz	DVTHSMAFMJBXMY-OAHLLOKOSA-N	1	0	370.478	1.768	20	30		FDEDRO
Cn1cc(C[NH+]2CCC3(CNC(=O)N3C)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000573361480	550120786	/nfs/dbraw/zinc/12/07/86/550120786.db2.gz	ZWDUJIIXGGMBBM-UHFFFAOYSA-N	1	0	364.453	1.948	20	30		FDEDRO
C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C[C@H]2C1	ZINC000573655576	550184950	/nfs/dbraw/zinc/18/49/50/550184950.db2.gz	XAHSVYJYRZIGCI-KFWWJZLASA-N	1	0	372.856	1.585	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1	ZINC000573956532	550237684	/nfs/dbraw/zinc/23/76/84/550237684.db2.gz	AEARXZWCGACXKQ-QZTJIDSGSA-N	1	0	372.469	1.568	20	30		FDEDRO
C=CCn1c(-c2ccoc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000574003629	550244767	/nfs/dbraw/zinc/24/47/67/550244767.db2.gz	GHYPLZYAGHBAOH-INIZCTEOSA-N	1	0	370.457	1.467	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N=c2ccn(C3CC[NH+](C)CC3)[nH]2)c1	ZINC000574165001	550268587	/nfs/dbraw/zinc/26/85/87/550268587.db2.gz	ZWWVIRUUYRRHTL-UHFFFAOYSA-N	1	0	366.425	1.907	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1	ZINC000574762762	550366300	/nfs/dbraw/zinc/36/63/00/550366300.db2.gz	REWUNHBWKYGMAO-BBWFWOEESA-N	1	0	370.515	1.268	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1F	ZINC000575222845	550445940	/nfs/dbraw/zinc/44/59/40/550445940.db2.gz	WWIHAJGJULUGHN-ZDUSSCGKSA-N	1	0	374.416	1.253	20	30		FDEDRO
C[NH+](C)CCOc1cnccc1CNC(=O)C(=O)Nc1cccc(C#N)c1	ZINC000575367324	550458030	/nfs/dbraw/zinc/45/80/30/550458030.db2.gz	TVXYHDVLFFBBBJ-UHFFFAOYSA-N	1	0	367.409	1.149	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)nc1	ZINC000575908223	550489739	/nfs/dbraw/zinc/48/97/39/550489739.db2.gz	MFWZCKJKKVCXPV-UHFFFAOYSA-N	1	0	360.395	1.467	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCCS(=O)(=O)C2)c(OC)c1	ZINC000576029906	550503242	/nfs/dbraw/zinc/50/32/42/550503242.db2.gz	FSDNDLUWLWJBMC-CVEARBPZSA-N	1	0	369.483	1.330	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCCS(=O)(=O)C2)c(OC)c1	ZINC000576029909	550503376	/nfs/dbraw/zinc/50/33/76/550503376.db2.gz	FSDNDLUWLWJBMC-JKSUJKDBSA-N	1	0	369.483	1.330	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1	ZINC000576806848	550587643	/nfs/dbraw/zinc/58/76/43/550587643.db2.gz	LAHFXPZSRPZESX-UHFFFAOYSA-N	1	0	371.485	1.785	20	30		FDEDRO
CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CCO1	ZINC000577097401	550620434	/nfs/dbraw/zinc/62/04/34/550620434.db2.gz	FUMOMVNIVPKUSC-GJZGRUSLSA-N	1	0	351.472	1.910	20	30		FDEDRO
Cc1cc(=NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)[nH]n1CCC#N	ZINC000577330021	550644466	/nfs/dbraw/zinc/64/44/66/550644466.db2.gz	YKYVKQHRLWUETO-UHFFFAOYSA-N	1	0	354.414	1.744	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNS(=O)(=O)Cc2ccc(CC#N)cc2)CC1	ZINC000578503213	550770614	/nfs/dbraw/zinc/77/06/14/550770614.db2.gz	MIOFDBHDCJMYGS-UHFFFAOYSA-N	1	0	365.499	1.407	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2Cc2ccccc2)CC1	ZINC000579575833	550887690	/nfs/dbraw/zinc/88/76/90/550887690.db2.gz	VOVNUCRQNJPPBP-LJQANCHMSA-N	1	0	355.482	1.987	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O	ZINC000579582754	550888575	/nfs/dbraw/zinc/88/85/75/550888575.db2.gz	MVACYQUMOXLOEU-BBRMVZONSA-N	1	0	368.840	1.380	20	30		FDEDRO
CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)Nc3cccc(C#N)n3)C2)CC1	ZINC000579590213	550889735	/nfs/dbraw/zinc/88/97/35/550889735.db2.gz	QNSGGOKEMWZGNT-MRXNPFEDSA-N	1	0	369.469	1.862	20	30		FDEDRO
N#CC1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1	ZINC000579815189	550912745	/nfs/dbraw/zinc/91/27/45/550912745.db2.gz	JKVPHYRIDCPRHA-GOSISDBHSA-N	1	0	354.454	1.529	20	30		FDEDRO
C[C@@H](NS(=O)(=O)c1cccc(Br)c1C#N)[C@@H]1CCC[NH2+]C1	ZINC000580193419	550953583	/nfs/dbraw/zinc/95/35/83/550953583.db2.gz	AVZZGFSJMJKJNF-GHMZBOCLSA-N	1	0	372.288	1.987	20	30		FDEDRO
COc1cccc(N2C[C@H]([NH2+]Cc3cnc4c(C#N)cnn4c3)CC2=O)c1	ZINC000580289616	550962783	/nfs/dbraw/zinc/96/27/83/550962783.db2.gz	UAHYEQWSPGKCNB-OAHLLOKOSA-N	1	0	362.393	1.505	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1	ZINC000580564157	550995627	/nfs/dbraw/zinc/99/56/27/550995627.db2.gz	MOWWNQMIYIWMSU-GXFFZTMASA-N	1	0	370.272	1.693	20	30		FDEDRO
CSC1(CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC[NH+](C)CC1	ZINC000581162440	551058537	/nfs/dbraw/zinc/05/85/37/551058537.db2.gz	UCMNODOELYIJEZ-UHFFFAOYSA-N	1	0	364.446	1.579	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCOC[C@H]1C1CC1)C(C)C	ZINC000581360472	551080164	/nfs/dbraw/zinc/08/01/64/551080164.db2.gz	GVDPMZPJERKWGM-MSOLQXFVSA-N	1	0	363.502	1.439	20	30		FDEDRO
[NH3+]C[C@@H]1CCCN(C(=O)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000582596143	551246152	/nfs/dbraw/zinc/24/61/52/551246152.db2.gz	FKIJIKDQBGEYLD-AWEZNQCLSA-N	1	0	367.371	1.370	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)ncc1C#N	ZINC000582734443	551261238	/nfs/dbraw/zinc/26/12/38/551261238.db2.gz	LSLKSOLTTMCWJZ-UHFFFAOYSA-N	1	0	351.410	1.578	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]CCCNC(=O)c2ccc(F)cc2)cc1	ZINC000583258067	551326106	/nfs/dbraw/zinc/32/61/06/551326106.db2.gz	FHXCARFMUGHTSV-GOSISDBHSA-N	1	0	371.412	1.847	20	30		FDEDRO
CN1C[C@@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)CCC1=O	ZINC000583389822	551344690	/nfs/dbraw/zinc/34/46/90/551344690.db2.gz	XRKIJLPDEQBNQY-LBPRGKRZSA-N	1	0	360.483	1.990	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)CCC1	ZINC000583399811	551345921	/nfs/dbraw/zinc/34/59/21/551345921.db2.gz	QLYIOJMASSNANF-UHFFFAOYSA-N	1	0	369.469	1.066	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2ccc(C#N)cc2OC)CC1	ZINC000583474388	551356559	/nfs/dbraw/zinc/35/65/59/551356559.db2.gz	DZQXPBKEMYDPAO-OAHLLOKOSA-N	1	0	359.474	1.962	20	30		FDEDRO
C[C@@H]1C[N@@H+](C[C@@H]2CCCN2Cc2cnc3c(C#N)cnn3c2)C[C@H](C)O1	ZINC000583631586	551379739	/nfs/dbraw/zinc/37/97/39/551379739.db2.gz	KTGVKISQOCGPAL-DAYGRLMNSA-N	1	0	354.458	1.675	20	30		FDEDRO
C=CCn1c([C@@H]2COCCO2)nnc1N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1	ZINC000583675612	551385221	/nfs/dbraw/zinc/38/52/21/551385221.db2.gz	GMCIQWOFJIJHAY-VQHPVUNQSA-N	1	0	361.490	1.719	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)NCc1ccc(CC#N)cc1)c1cccs1	ZINC000583692681	551388749	/nfs/dbraw/zinc/38/87/49/551388749.db2.gz	UKQHCBYYKAUUCO-INIZCTEOSA-N	1	0	370.478	1.849	20	30		FDEDRO
CC(C)[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](O)C(F)(F)F	ZINC000583898781	551417714	/nfs/dbraw/zinc/41/77/14/551417714.db2.gz	LUFZRYSVJVWCAK-KBPBESRZSA-N	1	0	364.389	1.869	20	30		FDEDRO
CC(C)C[C@H](C[NH2+]C[C@H](O)COc1ccc(C#N)cc1)N1CCOCC1	ZINC000584130668	551451962	/nfs/dbraw/zinc/45/19/62/551451962.db2.gz	KXELFUKJFGFUTC-MOPGFXCFSA-N	1	0	361.486	1.634	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CCC)C[C@H]2CCCCO2)CC1	ZINC000584855680	551560836	/nfs/dbraw/zinc/56/08/36/551560836.db2.gz	PNNGNFKJUNRCLP-GOSISDBHSA-N	1	0	365.518	1.951	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@H]([NH+]2CCOCC2)CC1	ZINC000585716903	551586503	/nfs/dbraw/zinc/58/65/03/551586503.db2.gz	CCYPPDKCQFMNSC-ROUUACIJSA-N	1	0	362.518	1.904	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(C#N)cc2F)[C@H](C)C1	ZINC000586861851	551627190	/nfs/dbraw/zinc/62/71/90/551627190.db2.gz	ARCSMQLYESGMNZ-CXAGYDPISA-N	1	0	360.433	1.502	20	30		FDEDRO
Cc1cc(C#N)nc(NCCCN2CC[NH+](Cc3ccccc3)CC2)n1	ZINC000587169461	551631150	/nfs/dbraw/zinc/63/11/50/551631150.db2.gz	WINPVIKEGOONAT-UHFFFAOYSA-N	1	0	350.470	2.277	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1	ZINC000588366282	551669348	/nfs/dbraw/zinc/66/93/48/551669348.db2.gz	FAKNKKBHLIZMAY-GFCCVEGCSA-N	1	0	365.231	1.470	20	30		FDEDRO
CSC1(CNS(=O)(=O)c2cccc(CC#N)c2)CC[NH+](C)CC1	ZINC000589296240	551723806	/nfs/dbraw/zinc/72/38/06/551723806.db2.gz	XOIALPKLAKZIQH-UHFFFAOYSA-N	1	0	353.513	1.858	20	30		FDEDRO
COc1cc(C[NH2+]Cc2cnn([C@]3(C)CCS(=O)(=O)C3)c2)ccc1C#N	ZINC000589324924	551724748	/nfs/dbraw/zinc/72/47/48/551724748.db2.gz	FWFHICONTKYAHG-GOSISDBHSA-N	1	0	374.466	1.587	20	30		FDEDRO
C[NH+](C)CCn1c2cc(NC(=O)c3cccc(C#N)n3)ccc2oc1=O	ZINC000589357251	551726029	/nfs/dbraw/zinc/72/60/29/551726029.db2.gz	GCBXHCLKLTWWCZ-UHFFFAOYSA-N	1	0	351.366	1.675	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2cccc(C#N)n2)c1	ZINC000589380068	551726328	/nfs/dbraw/zinc/72/63/28/551726328.db2.gz	YLWCJYAAQVEQLK-UHFFFAOYSA-N	1	0	351.410	1.175	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)NCc3ccc(C#N)c(OC)c3)C2)CC1	ZINC000589709786	551743826	/nfs/dbraw/zinc/74/38/26/551743826.db2.gz	YSPPQHQEJHGOSQ-GOSISDBHSA-N	1	0	371.485	1.488	20	30		FDEDRO
CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000589901442	551750284	/nfs/dbraw/zinc/75/02/84/551750284.db2.gz	SCMCEPINRDQMLT-SJORKVTESA-N	1	0	357.458	1.990	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)[C@@H]2C1	ZINC000589930180	551752492	/nfs/dbraw/zinc/75/24/92/551752492.db2.gz	TYTFYOHBHMCTEW-IINYFYTJSA-N	1	0	359.373	1.902	20	30		FDEDRO
COc1cc(CNC(=O)c2cccc(N3CC[NH+](C)CC3)n2)ccc1C#N	ZINC000589961488	551753615	/nfs/dbraw/zinc/75/36/15/551753615.db2.gz	UZTQEXCCDFWHRB-UHFFFAOYSA-N	1	0	365.437	1.644	20	30		FDEDRO
CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(C#N)cn1	ZINC000590246924	551766982	/nfs/dbraw/zinc/76/69/82/551766982.db2.gz	YDSNRGHRSDWKMJ-JKSUJKDBSA-N	1	0	357.458	1.909	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1	ZINC000590318517	551773309	/nfs/dbraw/zinc/77/33/09/551773309.db2.gz	YXINNKULFHAAMD-UHFFFAOYSA-N	1	0	355.486	1.892	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H](c3ccccn3)C2)CC1	ZINC000590600826	551797497	/nfs/dbraw/zinc/79/74/97/551797497.db2.gz	NPNNWVNQAKBPRH-AZUAARDMSA-N	1	0	369.513	1.953	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCN(C(=O)COc3cccc(Br)c3C#N)[C@@H]2C1	ZINC000590765323	551814681	/nfs/dbraw/zinc/81/46/81/551814681.db2.gz	IRAODICSRXGVMQ-SMDDNHRTSA-N	1	0	364.243	1.862	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]2C(=O)NC[C@@H]2CCC[N@H+]2CCCO)cc1	ZINC000590767768	551815021	/nfs/dbraw/zinc/81/50/21/551815021.db2.gz	IOOGOWQERIMFPV-OALUTQOASA-N	1	0	356.470	1.490	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCc2ccc(C#N)c(Cl)c2)C[C@H](C)[N@H+]1CCO	ZINC000590941212	551828428	/nfs/dbraw/zinc/82/84/28/551828428.db2.gz	RILIYZOEENXSJB-BETUJISGSA-N	1	0	350.850	1.808	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)n1	ZINC000591297516	551857827	/nfs/dbraw/zinc/85/78/27/551857827.db2.gz	YWJRXZPQGOFGIB-DOMZBBRYSA-N	1	0	354.389	2.099	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)n2)c(Cl)c1	ZINC000591297766	551857835	/nfs/dbraw/zinc/85/78/35/551857835.db2.gz	PMTMWSAKAMUDOT-BETUJISGSA-N	1	0	356.817	2.080	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)CCO1	ZINC000591299647	551857994	/nfs/dbraw/zinc/85/79/94/551857994.db2.gz	QXAREPJRFVBDSX-GWCFXTLKSA-N	1	0	364.471	1.430	20	30		FDEDRO
CC(C)[C@H]1CN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC[NH2+]1	ZINC000591303480	551858852	/nfs/dbraw/zinc/85/88/52/551858852.db2.gz	AGERBYAUTPVBIG-QGZVFWFLSA-N	1	0	358.442	1.764	20	30		FDEDRO
CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC[C@H]1[NH3+]	ZINC000591303920	551859154	/nfs/dbraw/zinc/85/91/54/551859154.db2.gz	GNJXHQPEHGLODX-RHSMWYFYSA-N	1	0	358.442	1.893	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CN(C(=O)Nc2ccc(C#N)c(Br)c2)CCO1	ZINC000591306585	551859891	/nfs/dbraw/zinc/85/98/91/551859891.db2.gz	QMZVEHZQSJWTKR-TVQRCGJNSA-N	1	0	353.220	1.901	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)Nc3cnc4c(c3)C[NH2+]CC4)C2)nc1	ZINC000591310776	551860637	/nfs/dbraw/zinc/86/06/37/551860637.db2.gz	JOZQOHMOVKTWOH-MRXNPFEDSA-N	1	0	364.409	1.679	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N[C@@H]3CCCC[C@H]3C[NH3+])CC2)nc1	ZINC000591350623	551864874	/nfs/dbraw/zinc/86/48/74/551864874.db2.gz	ZMJRGTKQLQOWLA-DOTOQJQBSA-N	1	0	356.474	1.739	20	30		FDEDRO
CC[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[C@H]1[NH3+]	ZINC000591356571	551865722	/nfs/dbraw/zinc/86/57/22/551865722.db2.gz	XCSDPEZVMMTZNO-NXHRZFHOSA-N	1	0	369.469	1.822	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)[C@@H]1CCC[NH2+]C1	ZINC000591359213	551865913	/nfs/dbraw/zinc/86/59/13/551865913.db2.gz	VTBOHGQGGPFIAK-DZGCQCFKSA-N	1	0	372.473	1.643	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+]C[C@@H](O)COc3ccccc3)CC2)nc1	ZINC000591736465	551904873	/nfs/dbraw/zinc/90/48/73/551904873.db2.gz	MNSNILDLCBVNQK-GOSISDBHSA-N	1	0	352.438	1.952	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2cc3c([nH]c2=O)CCC3)cc1	ZINC000591739527	551905010	/nfs/dbraw/zinc/90/50/10/551905010.db2.gz	BELIIUIYDGMABZ-UHFFFAOYSA-N	1	0	357.435	1.711	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1	ZINC000591767139	551907129	/nfs/dbraw/zinc/90/71/29/551907129.db2.gz	IUKDOKWFVKQMCO-KGLIPLIRSA-N	1	0	364.412	1.116	20	30		FDEDRO
COC(=O)c1nccnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000591894284	551913981	/nfs/dbraw/zinc/91/39/81/551913981.db2.gz	LNNMEIJMNVRQFO-UHFFFAOYSA-N	1	0	351.410	1.847	20	30		FDEDRO
N#CC[C@@]1(O)CCN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1	ZINC000591908141	551915430	/nfs/dbraw/zinc/91/54/30/551915430.db2.gz	WESAYYVQOAHQMJ-HXUWFJFHSA-N	1	0	356.470	1.754	20	30		FDEDRO
N#CC[C@@]1(O)CCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1	ZINC000591936869	551918407	/nfs/dbraw/zinc/91/84/07/551918407.db2.gz	ITWGNTSBRHPTPT-AZUAARDMSA-N	1	0	356.470	1.959	20	30		FDEDRO
Cc1nsc(N2CCN(c3nc(N)[nH+]c4c3CCCC4)CC2)c1C#N	ZINC000591943445	551919138	/nfs/dbraw/zinc/91/91/38/551919138.db2.gz	CRCJROAIFWCJTM-UHFFFAOYSA-N	1	0	355.471	1.901	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@](O)(CC#N)C2)[C@@H](C)C1	ZINC000591962698	551920910	/nfs/dbraw/zinc/92/09/10/551920910.db2.gz	AHWGQZGWPUZMBO-BQFCYCMXSA-N	1	0	352.479	1.183	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000592077146	551936940	/nfs/dbraw/zinc/93/69/40/551936940.db2.gz	BCKUUHAOYYAJQH-UHFFFAOYSA-N	1	0	365.499	1.423	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C	ZINC000592222621	551962667	/nfs/dbraw/zinc/96/26/67/551962667.db2.gz	LINOBAUIIRXXKO-ZDUSSCGKSA-N	1	0	359.430	1.541	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1	ZINC000592375467	551985774	/nfs/dbraw/zinc/98/57/74/551985774.db2.gz	UULLLDWLNXSQRP-JSGCOSHPSA-N	1	0	364.427	1.619	20	30		FDEDRO
C=CCn1c([C@@H]2CCO[C@@H]2C)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1	ZINC000592399534	551989351	/nfs/dbraw/zinc/98/93/51/551989351.db2.gz	VMGSFZWBNOKDTO-FGTMMUONSA-N	1	0	374.533	1.573	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@H](CO)c1cccc(Br)c1	ZINC000592431549	551994311	/nfs/dbraw/zinc/99/43/11/551994311.db2.gz	DLIPRANMFGCLTO-LSDHHAIUSA-N	1	0	356.264	1.278	20	30		FDEDRO
COCCn1cc2c(n1)[C@H]([NH2+]C[C@H]1CNc3c(C#N)cnn3C1)CCC2	ZINC000592506300	552003425	/nfs/dbraw/zinc/00/34/25/552003425.db2.gz	NHYCLAIIKQPGEI-XJKSGUPXSA-N	1	0	355.446	1.307	20	30		FDEDRO
COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000592530907	552005105	/nfs/dbraw/zinc/00/51/05/552005105.db2.gz	HCFUPJGEGMWQOH-AEFFLSMTSA-N	1	0	368.437	1.820	20	30		FDEDRO
COCC#CC[NH+]1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1	ZINC000593044548	552055498	/nfs/dbraw/zinc/05/54/98/552055498.db2.gz	OJRVVHYGEQTDMC-OAHLLOKOSA-N	1	0	350.459	1.291	20	30		FDEDRO
C[NH+](C)CCN1CCN(C(=O)Nc2ncccc2OCCCC#N)CC1=O	ZINC000593182489	552070824	/nfs/dbraw/zinc/07/08/24/552070824.db2.gz	QBVLVHCAIHTOLI-UHFFFAOYSA-N	1	0	374.445	1.002	20	30		FDEDRO
CC(C)NC(=O)CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593297538	552085056	/nfs/dbraw/zinc/08/50/56/552085056.db2.gz	DFOCDQODPZMXIU-UHFFFAOYSA-N	1	0	357.458	1.346	20	30		FDEDRO
CC(C)C(=O)NCCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593295555	552085181	/nfs/dbraw/zinc/08/51/81/552085181.db2.gz	NWVCHADOTLWNSG-UHFFFAOYSA-N	1	0	371.485	1.594	20	30		FDEDRO
C[C@@]1(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCC(=O)NC1	ZINC000593350647	552094285	/nfs/dbraw/zinc/09/42/85/552094285.db2.gz	DHMXJMNBJIXXKJ-HXUWFJFHSA-N	1	0	354.454	1.555	20	30		FDEDRO
COc1cncc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1	ZINC000593351161	552094382	/nfs/dbraw/zinc/09/43/82/552094382.db2.gz	JGJWRZIVTFVVEX-UHFFFAOYSA-N	1	0	351.410	1.751	20	30		FDEDRO
CC(=O)N1CC[C@](C)(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000593355688	552095147	/nfs/dbraw/zinc/09/51/47/552095147.db2.gz	YHNHDRLRFIWVSM-NRFANRHFSA-N	1	0	368.481	1.897	20	30		FDEDRO
Cn1ccc(CCNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1	ZINC000593391493	552101009	/nfs/dbraw/zinc/10/10/09/552101009.db2.gz	SSWPQNHZYYGZOP-UHFFFAOYSA-N	1	0	366.469	1.798	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@H]3CC[C@@H](C(N)=O)C3)CC2)c1	ZINC000593413837	552104600	/nfs/dbraw/zinc/10/46/00/552104600.db2.gz	DMMCRYUMAHFSBM-AEFFLSMTSA-N	1	0	369.469	1.476	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N(C)[C@H]1CCN(C2CC2)C1	ZINC000593543372	552128227	/nfs/dbraw/zinc/12/82/27/552128227.db2.gz	ABBUPJXREVBXJF-AWEZNQCLSA-N	1	0	363.439	1.202	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N(C)C[C@@H]1CCC[N@H+](C)C1	ZINC000593545925	552129336	/nfs/dbraw/zinc/12/93/36/552129336.db2.gz	GZRGDAOJWJGLNS-CQSZACIVSA-N	1	0	365.455	1.307	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)NCCC3CC[NH2+]CC3)CC2)nc1	ZINC000593704811	552178113	/nfs/dbraw/zinc/17/81/13/552178113.db2.gz	VHFQBWCFFQKREL-UHFFFAOYSA-N	1	0	356.474	1.611	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCc1ccc(C[NH3+])cc1F	ZINC000593723354	552183070	/nfs/dbraw/zinc/18/30/70/552183070.db2.gz	XPINBHNSKMMXMG-UHFFFAOYSA-N	1	0	359.409	1.236	20	30		FDEDRO
Cc1cc(S(=O)(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)ccc1C#N	ZINC000593735866	552187337	/nfs/dbraw/zinc/18/73/37/552187337.db2.gz	PJKNFFLGQQZXQN-LZLYRXPVSA-N	1	0	363.483	1.774	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1	ZINC000593766900	552194239	/nfs/dbraw/zinc/19/42/39/552194239.db2.gz	MIEDXRSYBJSYGP-ZOBUZTSGSA-N	1	0	356.426	1.242	20	30		FDEDRO
CC[C@H](COC)NC(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593925953	552226847	/nfs/dbraw/zinc/22/68/47/552226847.db2.gz	KIHZVIOBJWLZSP-QGZVFWFLSA-N	1	0	372.469	1.180	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)C(=O)NCc3ccoc3)CC2)c1	ZINC000593927582	552227339	/nfs/dbraw/zinc/22/73/39/552227339.db2.gz	IQCPLQUPORAGIY-UHFFFAOYSA-N	1	0	366.421	1.548	20	30		FDEDRO
COCC[C@@H](C)NC(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593930075	552228338	/nfs/dbraw/zinc/22/83/38/552228338.db2.gz	YMBLUDDCGQWEPA-OAHLLOKOSA-N	1	0	372.469	1.180	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(N3CN=NC3=O)CC2)cc1	ZINC000593981990	552234378	/nfs/dbraw/zinc/23/43/78/552234378.db2.gz	AQPDODBUSLHGIF-MRXNPFEDSA-N	1	0	357.414	1.127	20	30		FDEDRO
Cc1cnc(OC2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)nc1	ZINC000594019264	552238626	/nfs/dbraw/zinc/23/86/26/552238626.db2.gz	IFFNUNFBYCWNRU-QGZVFWFLSA-N	1	0	368.437	1.940	20	30		FDEDRO
COCC[N@H+](CCC(=O)Nc1cccc(C#N)c1)C[C@H](O)C(F)(F)F	ZINC000594017822	552238813	/nfs/dbraw/zinc/23/88/13/552238813.db2.gz	PDRDDKWSYQIBFZ-AWEZNQCLSA-N	1	0	359.348	1.758	20	30		FDEDRO
CC[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)[C@@H]1CCCCO1	ZINC000594041922	552242809	/nfs/dbraw/zinc/24/28/09/552242809.db2.gz	KNASNQODQMTMDO-KSZLIROESA-N	1	0	350.507	1.616	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1	ZINC000594369609	552296910	/nfs/dbraw/zinc/29/69/10/552296910.db2.gz	PBCNWRXABPKXIV-VQIMIIECSA-N	1	0	368.481	1.550	20	30		FDEDRO
CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]([NH3+])CCCCC#N)CC2	ZINC000594433416	552309323	/nfs/dbraw/zinc/30/93/23/552309323.db2.gz	PLJDLVNYBHSKGA-HNNXBMFYSA-N	1	0	364.471	1.285	20	30		FDEDRO
C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@@H]([NH3+])CCCCC#N	ZINC000594439175	552310702	/nfs/dbraw/zinc/31/07/02/552310702.db2.gz	SYGWXBBDHGYTLC-IRXDYDNUSA-N	1	0	358.490	1.120	20	30		FDEDRO
Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)[C@H]([NH3+])CCCCC#N)C2)nc1	ZINC000594440633	552311190	/nfs/dbraw/zinc/31/11/90/552311190.db2.gz	HEYSTMOMEMUVFO-JKSUJKDBSA-N	1	0	357.458	1.978	20	30		FDEDRO
CC(=O)N1CCN(Cc2ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc2)CC1	ZINC000594446271	552312358	/nfs/dbraw/zinc/31/23/58/552312358.db2.gz	OTNUSUOAMMCIKL-IBGZPJMESA-N	1	0	371.485	1.700	20	30		FDEDRO
COc1ccc(CN2CC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)C2=O)cc1	ZINC000594447938	552312700	/nfs/dbraw/zinc/31/27/00/552312700.db2.gz	YCBOIRDGFLLNIP-SJORKVTESA-N	1	0	358.442	1.324	20	30		FDEDRO
CC(=O)N1CCN(C(=O)CC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1	ZINC000594500416	552326713	/nfs/dbraw/zinc/32/67/13/552326713.db2.gz	SVOFXMKYGFFLQQ-UHFFFAOYSA-N	1	0	356.470	1.658	20	30		FDEDRO
N#Cc1ccc(OC2CCC(NC(=O)N[C@H](C[NH3+])C(F)(F)F)CC2)nc1	ZINC000594523996	552327406	/nfs/dbraw/zinc/32/74/06/552327406.db2.gz	GTJAPYZPOKPLTE-WXRRBKDZSA-N	1	0	371.363	1.832	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F)cc1C(F)(F)F	ZINC000594532299	552329538	/nfs/dbraw/zinc/32/95/38/552329538.db2.gz	MUYPEHQNXYWSKJ-VIFPVBQESA-N	1	0	368.237	1.521	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(C#N)cc1	ZINC000594618632	552341425	/nfs/dbraw/zinc/34/14/25/552341425.db2.gz	FJXCFLXOUSDEEH-WBAXXEDZSA-N	1	0	354.454	1.869	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)CN(C)CCC[NH+](C)C	ZINC000594803445	552391051	/nfs/dbraw/zinc/39/10/51/552391051.db2.gz	NJQOLDUUZDVFAD-HNNXBMFYSA-N	1	0	352.504	1.417	20	30		FDEDRO
CC(=O)N1CCN(C(=O)CC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1	ZINC000594921557	552424320	/nfs/dbraw/zinc/42/43/20/552424320.db2.gz	CSGJHSCMIKVQAZ-UHFFFAOYSA-N	1	0	354.454	1.412	20	30		FDEDRO
N#Cc1ccc(C[NH+]2CCC(NCc3nc(C(N)=O)cs3)CC2)cc1	ZINC000594984649	552431938	/nfs/dbraw/zinc/43/19/38/552431938.db2.gz	PIKCRBLXYZVOJJ-UHFFFAOYSA-N	1	0	355.467	1.868	20	30		FDEDRO
Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCCO[C@H](C[NH3+])C1	ZINC000595109734	552453873	/nfs/dbraw/zinc/45/38/73/552453873.db2.gz	LUUBLNFVQWGYSX-CYBMUJFWSA-N	1	0	365.480	1.820	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)s1	ZINC000595114320	552455109	/nfs/dbraw/zinc/45/51/09/552455109.db2.gz	WLCXKXYRGAEGTG-OBJOEFQTSA-N	1	0	355.485	1.527	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)o1	ZINC000595120863	552457585	/nfs/dbraw/zinc/45/75/85/552457585.db2.gz	ZRWBBAOCVDJCAM-WFASDCNBSA-N	1	0	367.377	1.853	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCN1C[C@H](C)OC[C@H]1C	ZINC000595125707	552459101	/nfs/dbraw/zinc/45/91/01/552459101.db2.gz	KPUXHUYBAZEXEK-KGLIPLIRSA-N	1	0	374.441	1.121	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C	ZINC000595168734	552475207	/nfs/dbraw/zinc/47/52/07/552475207.db2.gz	XXCVGAJFVZFVGS-HNNXBMFYSA-N	1	0	369.531	1.124	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)ccc1F	ZINC000595240011	552502491	/nfs/dbraw/zinc/50/24/91/552502491.db2.gz	KJVHNFGXEYVOFD-AWEZNQCLSA-N	1	0	358.417	1.874	20	30		FDEDRO
N#Cc1cccc(-c2csc(NC(=O)C(=O)N3CC4CC3(C[NH3+])C4)n2)c1	ZINC000595249291	552505124	/nfs/dbraw/zinc/50/51/24/552505124.db2.gz	MFUSXXOUPIFRBF-UHFFFAOYSA-N	1	0	367.434	1.570	20	30		FDEDRO
COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC2CCN(CC#N)CC2)cc1	ZINC000595265358	552508017	/nfs/dbraw/zinc/50/80/17/552508017.db2.gz	HZANCLYQQJRKIN-OALUTQOASA-N	1	0	371.485	1.428	20	30		FDEDRO
N#CC1(CNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCCCC1	ZINC000595273674	552509501	/nfs/dbraw/zinc/50/95/01/552509501.db2.gz	PFBYQQGMUTZEGV-INIZCTEOSA-N	1	0	361.490	1.314	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)CCCCC1	ZINC000595278110	552510864	/nfs/dbraw/zinc/51/08/64/552510864.db2.gz	KDMNEFDENORIPM-KRWDZBQOSA-N	1	0	360.502	1.815	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CCCCC1	ZINC000595278977	552511267	/nfs/dbraw/zinc/51/12/67/552511267.db2.gz	VKMXLFQYGBKWON-IAGOWNOFSA-N	1	0	360.502	1.957	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccc(C#N)cc1	ZINC000595279829	552511328	/nfs/dbraw/zinc/51/13/28/552511328.db2.gz	WGZUBTFYWNEVDP-KXBFYZLASA-N	1	0	368.481	1.974	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2cc(C#N)ccc2Cl)CCO1	ZINC000595403109	552550817	/nfs/dbraw/zinc/55/08/17/552550817.db2.gz	BPESNJJGMVDWDS-CQSZACIVSA-N	1	0	371.890	1.943	20	30		FDEDRO
C[NH+](C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)c1ccc(C#N)s1	ZINC000595404009	552551238	/nfs/dbraw/zinc/55/12/38/552551238.db2.gz	NWYQLCKULOWJRD-CYBMUJFWSA-N	1	0	369.512	1.884	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CCO1	ZINC000595405048	552551721	/nfs/dbraw/zinc/55/17/21/552551721.db2.gz	RUTZWUDGFIPNTI-CQSZACIVSA-N	1	0	371.890	1.943	20	30		FDEDRO
CC(C)(C)n1nnc(CCN2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)n1	ZINC000595428124	552557545	/nfs/dbraw/zinc/55/75/45/552557545.db2.gz	MGTVLQYVDKIQMZ-KRWDZBQOSA-N	1	0	371.464	1.992	20	30		FDEDRO
C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)CCc1ccc(C#N)cc1	ZINC000595503324	552574011	/nfs/dbraw/zinc/57/40/11/552574011.db2.gz	RKDRMGMJSRQMJO-UHFFFAOYSA-N	1	0	359.451	1.759	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CC[NH+](CC4(O)CCOCC4)CC3)n[nH]2)cc1	ZINC000595725912	552607393	/nfs/dbraw/zinc/60/73/93/552607393.db2.gz	JZEDCZULIOYZSZ-UHFFFAOYSA-N	1	0	367.453	1.612	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1	ZINC000595749171	552610968	/nfs/dbraw/zinc/61/09/68/552610968.db2.gz	MMUIHINIRZTAEQ-FUHWJXTLSA-N	1	0	358.486	1.636	20	30		FDEDRO
N#Cc1cccc(C2([NH2+]CC(=O)N3CCOC[C@@H]3C3CC3)CCOCC2)c1	ZINC000595764699	552612779	/nfs/dbraw/zinc/61/27/79/552612779.db2.gz	LSJSDILCKRNBGM-LJQANCHMSA-N	1	0	369.465	1.791	20	30		FDEDRO
CC1(C)NC(=O)N(CC[NH2+]C2(c3cccc(C#N)c3)CCOCC2)C1=O	ZINC000595775383	552613730	/nfs/dbraw/zinc/61/37/30/552613730.db2.gz	VWLRPPCREVKIBI-UHFFFAOYSA-N	1	0	356.426	1.484	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@H]2C[C@@H](O)C23CCC3)CC1	ZINC000595780854	552614351	/nfs/dbraw/zinc/61/43/51/552614351.db2.gz	JAAIDBXFXCPGCN-HYVNUMGLSA-N	1	0	374.510	1.350	20	30		FDEDRO
Cc1sc(NC(=O)CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(C#N)c1C	ZINC000595862379	552624963	/nfs/dbraw/zinc/62/49/63/552624963.db2.gz	BFHPIVVVWPZOAA-HNNXBMFYSA-N	1	0	362.499	1.706	20	30		FDEDRO
N#Cc1ccc(NC(=O)CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1Cl	ZINC000595862873	552625219	/nfs/dbraw/zinc/62/52/19/552625219.db2.gz	IEHIWTINJPTBFK-MRXNPFEDSA-N	1	0	362.861	1.681	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(CC(=O)N(CCC#N)c2ccccc2)CCO1	ZINC000595907777	552631685	/nfs/dbraw/zinc/63/16/85/552631685.db2.gz	YCFCVDUEHIAYNF-IBGZPJMESA-N	1	0	358.486	1.976	20	30		FDEDRO
C=CC[C@]1(C(=O)NC[C@@H](Cc2ccccc2OC)C(=O)OC)CCC[NH2+]1	ZINC000595955719	552638019	/nfs/dbraw/zinc/63/80/19/552638019.db2.gz	HKBSVIYIUMGRLN-OXQOHEQNSA-N	1	0	360.454	1.841	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1	ZINC000595989710	552641477	/nfs/dbraw/zinc/64/14/77/552641477.db2.gz	UCCJSIHPZAYULV-IBGZPJMESA-N	1	0	368.481	1.755	20	30		FDEDRO
C[C@@]1(NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC[NH2+]C1	ZINC000596129638	552658498	/nfs/dbraw/zinc/65/84/98/552658498.db2.gz	VKEUETSCJLGVCQ-LJQANCHMSA-N	1	0	365.393	1.552	20	30		FDEDRO
C[C@@H]1CN(CCNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)[C@@H](C)CO1	ZINC000596429269	552678385	/nfs/dbraw/zinc/67/83/85/552678385.db2.gz	IXKYMFKCSBTTMX-QWHCGFSZSA-N	1	0	355.398	2.536	20	30		FDEDRO
CCN(C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CC[N@H+](C)C1	ZINC000596551010	552688227	/nfs/dbraw/zinc/68/82/27/552688227.db2.gz	JUFIZVPNSBRMNH-ROUUACIJSA-N	1	0	369.469	1.789	20	30		FDEDRO
COc1cc(CNC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)ccc1C#N	ZINC000596606152	552693760	/nfs/dbraw/zinc/69/37/60/552693760.db2.gz	YKPVJEDDFVYDRC-GOSISDBHSA-N	1	0	372.469	1.963	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NCCCc3nnc[nH]3)CC2)c1	ZINC000596648647	552696751	/nfs/dbraw/zinc/69/67/51/552696751.db2.gz	ULSMJPJAHDPXJB-UHFFFAOYSA-N	1	0	367.457	1.573	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCCc3ccc(C#N)cc3)CC2)C1	ZINC000596673897	552699978	/nfs/dbraw/zinc/69/99/78/552699978.db2.gz	QYEMFOGQEOZAQD-LJQANCHMSA-N	1	0	355.486	1.522	20	30		FDEDRO
C[NH+]1CCC(n2ccc(=NC(=O)NCCc3ccc(C#N)cc3)[nH]2)CC1	ZINC000596882647	552721185	/nfs/dbraw/zinc/72/11/85/552721185.db2.gz	SUVPUGFSZCHQQI-UHFFFAOYSA-N	1	0	352.442	2.386	20	30		FDEDRO
C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)CC2(C#N)CCOCC2)CC1	ZINC000597052901	552740029	/nfs/dbraw/zinc/74/00/29/552740029.db2.gz	QEQTVJNCAXYEDT-ROUUACIJSA-N	1	0	362.518	1.714	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Nc2cnn(C(C)(C)C(=O)OC)c2)CC1	ZINC000597095616	552746270	/nfs/dbraw/zinc/74/62/70/552746270.db2.gz	DDCKXKZVZCWUFM-UHFFFAOYSA-N	1	0	363.462	1.953	20	30		FDEDRO
CN1CC[NH+](CC2CCN(C(=O)c3cc(F)c(C#N)c(F)c3)CC2)CC1	ZINC000597196401	552759705	/nfs/dbraw/zinc/75/97/05/552759705.db2.gz	CPQRRHFSKBDQDT-UHFFFAOYSA-N	1	0	362.424	1.936	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)c1cccc(C#N)c1	ZINC000597257019	552766040	/nfs/dbraw/zinc/76/60/40/552766040.db2.gz	ZZPPUYBVNILDEH-HNNXBMFYSA-N	1	0	368.481	1.974	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(F)c(C#N)c(F)c2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000597468801	552792861	/nfs/dbraw/zinc/79/28/61/552792861.db2.gz	USPXPPZXAZEUGE-FZKQIMNGSA-N	1	0	362.424	1.934	20	30		FDEDRO
C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1	ZINC000597574860	552806842	/nfs/dbraw/zinc/80/68/42/552806842.db2.gz	SMGYNAYOTNDGIA-HNNXBMFYSA-N	1	0	356.348	1.501	20	30		FDEDRO
N#Cc1cc(Br)ccc1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2	ZINC000597626971	552814148	/nfs/dbraw/zinc/81/41/48/552814148.db2.gz	VSKZEFAHNVEJOX-AWEZNQCLSA-N	1	0	363.259	1.440	20	30		FDEDRO
C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2cc(C#N)cc(N(C)C)c2)CC1	ZINC000597678016	552820983	/nfs/dbraw/zinc/82/09/83/552820983.db2.gz	QBFBWLJYXCFABU-OAHLLOKOSA-N	1	0	356.470	1.950	20	30		FDEDRO
CC(C)C[C@H](NC(=O)Cc1cccc(C#N)c1)C(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000597691970	552822425	/nfs/dbraw/zinc/82/24/25/552822425.db2.gz	KEQMTDOZLQYQPU-MOPGFXCFSA-N	1	0	370.497	1.794	20	30		FDEDRO
C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1	ZINC000597699631	552823810	/nfs/dbraw/zinc/82/38/10/552823810.db2.gz	LAXFNHMKNVAANE-YOEHRIQHSA-N	1	0	363.483	1.929	20	30		FDEDRO
CC[NH+]1CCN(CC(=O)NC2(c3cccc(C#N)c3)CCOCC2)CC1	ZINC000598248276	552878452	/nfs/dbraw/zinc/87/84/52/552878452.db2.gz	KERJEZPNFDFXML-UHFFFAOYSA-N	1	0	356.470	1.318	20	30		FDEDRO
CN1CCN(C(=O)c2ccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)cc2)CC1	ZINC000598699252	552926387	/nfs/dbraw/zinc/92/63/87/552926387.db2.gz	DOFHJUJUTPASKP-SFHVURJKSA-N	1	0	358.486	1.465	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1	ZINC000598715925	552927733	/nfs/dbraw/zinc/92/77/33/552927733.db2.gz	VEVIJOZKDCMBJH-SFHVURJKSA-N	1	0	358.486	1.980	20	30		FDEDRO
CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)cc1	ZINC000598719406	552928070	/nfs/dbraw/zinc/92/80/70/552928070.db2.gz	HWJRKITVEANFIL-KRWDZBQOSA-N	1	0	367.515	1.905	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2	ZINC000598729417	552928562	/nfs/dbraw/zinc/92/85/62/552928562.db2.gz	JASNSRXXHKVCKO-HUUCEWRRSA-N	1	0	361.442	1.201	20	30		FDEDRO
COCC[N@H+](C)CCN1C[C@@H](NC(=O)CC2(C#N)CCCCC2)CC1=O	ZINC000598735463	552929214	/nfs/dbraw/zinc/92/92/14/552929214.db2.gz	MABSKZQRBXFDCQ-INIZCTEOSA-N	1	0	364.490	1.146	20	30		FDEDRO
CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cccc(Br)c1C#N	ZINC000599106224	552968269	/nfs/dbraw/zinc/96/82/69/552968269.db2.gz	BYCLKBIWZSQZIV-NWDGAFQWSA-N	1	0	358.261	1.740	20	30		FDEDRO
COC(=O)c1cnc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cn1	ZINC000599252228	553003401	/nfs/dbraw/zinc/00/34/01/553003401.db2.gz	NTNSEJQAKRQOOD-UHFFFAOYSA-N	1	0	365.437	1.843	20	30		FDEDRO
CCOC(=O)CC1CC[NH+](CC#CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000599262949	553007742	/nfs/dbraw/zinc/00/77/42/553007742.db2.gz	NBVOVDLTLBOXKF-UHFFFAOYSA-N	1	0	368.433	1.951	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(c2nnc3n2CCC3)CC1	ZINC000599279674	553013353	/nfs/dbraw/zinc/01/33/53/553013353.db2.gz	RWFMOKJUHVYTAC-KRWDZBQOSA-N	1	0	367.453	1.715	20	30		FDEDRO
CS[C@H]1CN(CC#CCN2C(=O)c3ccccc3C2=O)C[C@H]1[NH+](C)C	ZINC000599337969	553031237	/nfs/dbraw/zinc/03/12/37/553031237.db2.gz	NMQDSTZWLPERTC-SJORKVTESA-N	1	0	357.479	1.263	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)CCOCC1	ZINC000599352917	553035069	/nfs/dbraw/zinc/03/50/69/553035069.db2.gz	SFXMNUZLRVDBHL-CVEARBPZSA-N	1	0	359.474	1.933	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1cn(-c2ccccc2)nn1	ZINC000599370831	553038624	/nfs/dbraw/zinc/03/86/24/553038624.db2.gz	LSPYDEZWUJXVDW-RDJZCZTQSA-N	1	0	355.442	1.989	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)CCOCC1	ZINC000599381532	553041154	/nfs/dbraw/zinc/04/11/54/553041154.db2.gz	MIWWIAGRMCYGFQ-MRXNPFEDSA-N	1	0	359.474	1.480	20	30		FDEDRO
Cn1cc([C@@H]2CSCCN2C[C@H](O)CC2(C#N)CCOCC2)cn1	ZINC000599391180	553043764	/nfs/dbraw/zinc/04/37/64/553043764.db2.gz	OCBLOMBZFMCOIE-CVEARBPZSA-N	1	0	350.488	1.581	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1	ZINC000599414404	553051708	/nfs/dbraw/zinc/05/17/08/553051708.db2.gz	CZBMTBMFFHGSNF-LBPRGKRZSA-N	1	0	352.416	1.477	20	30		FDEDRO
Cn1cc([C@@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)C2(CO)CCC2)cn1	ZINC000599428442	553054622	/nfs/dbraw/zinc/05/46/22/553054622.db2.gz	KCRIHLPEUKRDEN-IEBWSBKVSA-N	1	0	370.453	1.525	20	30		FDEDRO
CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1	ZINC000599428454	553054721	/nfs/dbraw/zinc/05/47/21/553054721.db2.gz	KFQAQTRHTWESNY-HZPDHXFCSA-N	1	0	358.504	1.347	20	30		FDEDRO
Cn1cc([C@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)C2(CO)CCC2)cn1	ZINC000599428443	553054788	/nfs/dbraw/zinc/05/47/88/553054788.db2.gz	KCRIHLPEUKRDEN-MJGOQNOKSA-N	1	0	370.453	1.525	20	30		FDEDRO
COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC#CCN1C(=O)c2ccccc2C1=O	ZINC000599433108	553055374	/nfs/dbraw/zinc/05/53/74/553055374.db2.gz	LITYGMGNUZRKIK-SJORKVTESA-N	1	0	354.406	1.607	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(N3CCOCC3)CC2)cc1	ZINC000599472339	553067465	/nfs/dbraw/zinc/06/74/65/553067465.db2.gz	SHJPXMRSSVLQIX-LJQANCHMSA-N	1	0	359.470	1.289	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(N3CCOCC3)CC2)cc1	ZINC000599472338	553067497	/nfs/dbraw/zinc/06/74/97/553067497.db2.gz	SHJPXMRSSVLQIX-IBGZPJMESA-N	1	0	359.470	1.289	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)NC[C@]1(CO)COCC2(CCC2)N1C	ZINC000599728940	553132215	/nfs/dbraw/zinc/13/22/15/553132215.db2.gz	HJSHSPACYLTCCD-IBGZPJMESA-N	1	0	374.441	1.304	20	30		FDEDRO
CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)Nc1ccc(F)cc1C#N	ZINC000599749855	553137335	/nfs/dbraw/zinc/13/73/35/553137335.db2.gz	CQVAUYGNAXERNT-SFHVURJKSA-N	1	0	362.405	1.435	20	30		FDEDRO
COc1cc(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c(F)cc1C#N	ZINC000599810861	553153883	/nfs/dbraw/zinc/15/38/83/553153883.db2.gz	KTZAITAHMVAYLB-AWEZNQCLSA-N	1	0	363.393	1.167	20	30		FDEDRO
COc1cc(NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)c(F)cc1C#N	ZINC000599810603	553153911	/nfs/dbraw/zinc/15/39/11/553153911.db2.gz	XJEGIBUNDZFAHB-CYBMUJFWSA-N	1	0	350.394	1.674	20	30		FDEDRO
C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C[NH2+]1	ZINC000599895035	553170008	/nfs/dbraw/zinc/17/00/08/553170008.db2.gz	BQTNPCJDWAIOJG-CABZTGNLSA-N	1	0	365.231	1.516	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1C#N	ZINC000599898487	553170714	/nfs/dbraw/zinc/17/07/14/553170714.db2.gz	FBYYZTIVMPWUSY-VXGBXAGGSA-N	1	0	369.347	1.186	20	30		FDEDRO
CN(CCOCC[NH3+])C(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000599899167	553170953	/nfs/dbraw/zinc/17/09/53/553170953.db2.gz	CDDWNYZDCGQABH-UHFFFAOYSA-N	1	0	350.444	1.065	20	30		FDEDRO
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(C)CCOCC[NH3+]	ZINC000599899691	553171066	/nfs/dbraw/zinc/17/10/66/553171066.db2.gz	GUGQTIHBQBHYOB-CYBMUJFWSA-N	1	0	364.471	1.453	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1	ZINC000599900473	553171236	/nfs/dbraw/zinc/17/12/36/553171236.db2.gz	RTIYCMFEAGPHJJ-JSGCOSHPSA-N	1	0	368.359	1.677	20	30		FDEDRO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1	ZINC000599900727	553171308	/nfs/dbraw/zinc/17/13/08/553171308.db2.gz	ZEOBIGVLYXLJKK-QWHCGFSZSA-N	1	0	362.455	1.124	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1F	ZINC000599901210	553171740	/nfs/dbraw/zinc/17/17/40/553171740.db2.gz	YBWZMBDSSNVBMV-ZYHUDNBSSA-N	1	0	372.322	1.622	20	30		FDEDRO
Cc1nc(SCC(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)c(C#N)c(C)c1C	ZINC000599938081	553178388	/nfs/dbraw/zinc/17/83/88/553178388.db2.gz	LQZOQISJSOYOFA-JKSUJKDBSA-N	1	0	374.510	1.638	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c(F)cc1C#N	ZINC000599938886	553178779	/nfs/dbraw/zinc/17/87/79/553178779.db2.gz	JEDOEBJNUILBIH-NSHDSACASA-N	1	0	360.389	1.245	20	30		FDEDRO
N#Cc1cc(Br)ccc1C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1	ZINC000599940139	553179928	/nfs/dbraw/zinc/17/99/28/553179928.db2.gz	LNNWELLWNQEXQS-ZIAGYGMSSA-N	1	0	364.243	1.602	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c(F)cc1C#N	ZINC000599991150	553195226	/nfs/dbraw/zinc/19/52/26/553195226.db2.gz	JILGMFTZELXOIW-GFCCVEGCSA-N	1	0	362.405	1.633	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cn(C4CC4)nn3)CC2)c1	ZINC000600080330	553214711	/nfs/dbraw/zinc/21/47/11/553214711.db2.gz	FFOWYMCSJIAXFE-UHFFFAOYSA-N	1	0	350.426	1.879	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCC([NH+]3CCOCC3)CC2)cc1	ZINC000600105298	553219043	/nfs/dbraw/zinc/21/90/43/553219043.db2.gz	JWRNJAUIQBYFKA-HXUWFJFHSA-N	1	0	368.481	1.850	20	30		FDEDRO
Cc1ccc(CN2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1C#N	ZINC000600708249	553305111	/nfs/dbraw/zinc/30/51/11/553305111.db2.gz	DTHHDYNYLHXSSK-OALUTQOASA-N	1	0	353.470	1.587	20	30		FDEDRO
COc1ccc(C(=O)NCC[NH2+]C[C@@H](O)COc2ccccc2C#N)cc1	ZINC000600714565	553305890	/nfs/dbraw/zinc/30/58/90/553305890.db2.gz	AIBIPWPAQZUTHN-QGZVFWFLSA-N	1	0	369.421	1.326	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]Cc1ccccc1Cn1cncn1	ZINC000600715885	553306164	/nfs/dbraw/zinc/30/61/64/553306164.db2.gz	DKQUKKHAYQRUAJ-LJQANCHMSA-N	1	0	363.421	1.728	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCN1CCc2ccccc2C1	ZINC000600716322	553306168	/nfs/dbraw/zinc/30/61/68/553306168.db2.gz	DVBCOCFWVPEHLD-FQEVSTJZSA-N	1	0	351.450	1.946	20	30		FDEDRO
CCC(CC)[C@H](C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)N1CCOCC1	ZINC000600719889	553306801	/nfs/dbraw/zinc/30/68/01/553306801.db2.gz	VNTZBANPHVFKCO-MOPGFXCFSA-N	1	0	367.534	1.784	20	30		FDEDRO
CCN(Cc1ccccc1)C(=O)C[NH2+]C[C@H](O)COc1ccccc1C#N	ZINC000600720171	553306826	/nfs/dbraw/zinc/30/68/26/553306826.db2.gz	HDWDNPVGFANRAU-IBGZPJMESA-N	1	0	367.449	1.936	20	30		FDEDRO
CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+]C[C@H](O)CC1(C#N)CC1	ZINC000600722722	553307236	/nfs/dbraw/zinc/30/72/36/553307236.db2.gz	SZRYMLWTVZYLCY-OAHLLOKOSA-N	1	0	365.499	1.908	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]CCNC(=O)c2ccccc2Cl)CCOCC1	ZINC000600720450	553307197	/nfs/dbraw/zinc/30/71/97/553307197.db2.gz	YLZKMFACPOOXKR-AWEZNQCLSA-N	1	0	365.861	1.731	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]CCC(=O)N2CCN(c3ccccc3)CC2)CC1	ZINC000600724425	553307695	/nfs/dbraw/zinc/30/76/95/553307695.db2.gz	SXZRSJWFSZZOEU-SFHVURJKSA-N	1	0	356.470	1.370	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)C2CCCC2)C1	ZINC000600730682	553308296	/nfs/dbraw/zinc/30/82/96/553308296.db2.gz	MWIMCFRBZJMSDI-ROUUACIJSA-N	1	0	357.454	1.679	20	30		FDEDRO
COc1ccccc1N1CC[C@@H]([NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1=O	ZINC000600731833	553308800	/nfs/dbraw/zinc/30/88/00/553308800.db2.gz	VKTQISIPCCESQQ-HZPDHXFCSA-N	1	0	373.453	1.461	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]Cc2cccnc2OCC(F)F)CCOCC1	ZINC000600733271	553308919	/nfs/dbraw/zinc/30/89/19/553308919.db2.gz	YFZWUXJHVXAPIG-AWEZNQCLSA-N	1	0	355.385	1.886	20	30		FDEDRO
Cc1cccc(OC[C@H](O)C[NH2+]C[C@@H](O)COc2ccccc2C#N)c1	ZINC000600744966	553310444	/nfs/dbraw/zinc/31/04/44/553310444.db2.gz	QJSGCTRNENSCDS-QZTJIDSGSA-N	1	0	356.422	1.636	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O	ZINC000600750465	553311073	/nfs/dbraw/zinc/31/10/73/553311073.db2.gz	WQBFKAGUNPOJDE-LMMKCTJWSA-N	1	0	360.454	1.455	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1	ZINC000600755277	553311468	/nfs/dbraw/zinc/31/14/68/553311468.db2.gz	BGOJGZKGHHBURQ-HUUCEWRRSA-N	1	0	354.857	1.854	20	30		FDEDRO
Cn1nc(C(=O)OC(C)(C)C)cc1C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000601016565	553339780	/nfs/dbraw/zinc/33/97/80/553339780.db2.gz	MWNGUUWKEMVRFT-UHFFFAOYSA-N	1	0	363.462	1.683	20	30		FDEDRO
C[NH+](C)CCn1cc(C(=O)N2CCN(c3ccccc3C#N)CC2)cn1	ZINC000601029321	553341199	/nfs/dbraw/zinc/34/11/99/553341199.db2.gz	QMHFVWIZQQGJDN-UHFFFAOYSA-N	1	0	352.442	1.279	20	30		FDEDRO
CN(CCN(C)S(=O)(=O)c1ccccc1CC#N)C1CC[NH+](C)CC1	ZINC000601310180	553373742	/nfs/dbraw/zinc/37/37/42/553373742.db2.gz	MTFWMDDTPOIURJ-UHFFFAOYSA-N	1	0	364.515	1.399	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Br	ZINC000601347849	553381594	/nfs/dbraw/zinc/38/15/94/553381594.db2.gz	NQNPQDGGFXTOOU-PHIMTYICSA-N	1	0	356.245	1.446	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1C[C@H](C[NH3+])Cc2ccccc21	ZINC000601352208	553383216	/nfs/dbraw/zinc/38/32/16/553383216.db2.gz	ULSPXCVJWHDWBW-AWEZNQCLSA-N	1	0	357.435	1.893	20	30		FDEDRO
Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC000601470756	553414583	/nfs/dbraw/zinc/41/45/83/553414583.db2.gz	ZYOFPHSHNNRPSG-INIZCTEOSA-N	1	0	367.446	1.226	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H]1CC[N@H+](Cc2cccc(C)c2)C1	ZINC000601523598	553428044	/nfs/dbraw/zinc/42/80/44/553428044.db2.gz	PYAICZGSDRSFEP-WMZOPIPTSA-N	1	0	364.515	1.885	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1CNC(=O)N1CCN(CCC#N)CC1	ZINC000601565445	553436217	/nfs/dbraw/zinc/43/62/17/553436217.db2.gz	WPJZZTFXOLJDON-UHFFFAOYSA-N	1	0	359.474	1.368	20	30		FDEDRO
CC(C)[C@H]1CN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC[N@@H+]1C	ZINC000601569563	553437111	/nfs/dbraw/zinc/43/71/11/553437111.db2.gz	ZEEOLNRCGWFTJY-GOSISDBHSA-N	1	0	370.501	1.904	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN(CCC#N)CC1	ZINC000601593646	553442027	/nfs/dbraw/zinc/44/20/27/553442027.db2.gz	DRHQVTUJCUMZLS-HKUYNNGSSA-N	1	0	355.486	1.748	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H](n1cncn1)C(F)(F)F	ZINC000601968037	553497270	/nfs/dbraw/zinc/49/72/70/553497270.db2.gz	LCEMMWGHWLUJGW-JSGCOSHPSA-N	1	0	355.320	1.283	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]CCC1(O)CCN(c2ccccc2)CC1	ZINC000601969408	553497635	/nfs/dbraw/zinc/49/76/35/553497635.db2.gz	QVCOINUJIWBLIO-IBGZPJMESA-N	1	0	360.502	1.204	20	30		FDEDRO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2C[C@@H]3COC[C@@H]3C2)CC1	ZINC000601973233	553497801	/nfs/dbraw/zinc/49/78/01/553497801.db2.gz	MQZZYEDNAUTUNP-XHSDSOJGSA-N	1	0	360.483	1.035	20	30		FDEDRO
C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cc(F)cc(C#N)c1	ZINC000602021921	553502480	/nfs/dbraw/zinc/50/24/80/553502480.db2.gz	KWYKMLPKXXNMFP-MRXNPFEDSA-N	1	0	362.405	1.205	20	30		FDEDRO
C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CCC[C@](C)(C#N)C3)cn2)CC1	ZINC000602035258	553505423	/nfs/dbraw/zinc/50/54/23/553505423.db2.gz	MVBMPLOMNILPRW-GOSISDBHSA-N	1	0	358.446	1.241	20	30		FDEDRO
COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(C)[C@@H]1CCC[C@@H]1C#N	ZINC000602073425	553513738	/nfs/dbraw/zinc/51/37/38/553513738.db2.gz	GDWJYKVVVJXZPA-GDBMZVCRSA-N	1	0	358.442	1.846	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)C1	ZINC000602088297	553516874	/nfs/dbraw/zinc/51/68/74/553516874.db2.gz	KVMHKCXEQIPHKJ-GOEBONIOSA-N	1	0	358.467	1.740	20	30		FDEDRO
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1	ZINC000602095902	553518271	/nfs/dbraw/zinc/51/82/71/553518271.db2.gz	FGYBLIJSTCHODI-IBGZPJMESA-N	1	0	370.497	1.581	20	30		FDEDRO
COCCOCC[N@H+](C)CCC(=O)N[C@]1(C#N)CCc2ccccc2C1	ZINC000602140200	553526526	/nfs/dbraw/zinc/52/65/26/553526526.db2.gz	OHFPUHVAICRQCB-HXUWFJFHSA-N	1	0	359.470	1.539	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(C#N)cc1	ZINC000602230242	553543567	/nfs/dbraw/zinc/54/35/67/553543567.db2.gz	LIWVRTBNSDFEFV-KDOFPFPSSA-N	1	0	354.454	1.869	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCC(C)(C)CC#N	ZINC000602280734	553555860	/nfs/dbraw/zinc/55/58/60/553555860.db2.gz	ZCUBCZCYWJPURK-AEFFLSMTSA-N	1	0	370.497	1.927	20	30		FDEDRO
C[C@@H](CCC#N)C[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000602502001	553594615	/nfs/dbraw/zinc/59/46/15/553594615.db2.gz	JEOGGMWKJFMMMN-HNNXBMFYSA-N	1	0	351.472	1.737	20	30		FDEDRO
N#Cc1ccc(CCNC(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)cc1	ZINC000602518193	553596774	/nfs/dbraw/zinc/59/67/74/553596774.db2.gz	LTJXVOGOCREPCS-ZDUSSCGKSA-N	1	0	360.368	1.594	20	30		FDEDRO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCNS(=O)(=O)c1ccccc1	ZINC000602528321	553599171	/nfs/dbraw/zinc/59/91/71/553599171.db2.gz	OWTKVBSTHOASJF-HNNXBMFYSA-N	1	0	351.472	1.653	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@]1(N2CCOCC2)CCSC1	ZINC000602532986	553600398	/nfs/dbraw/zinc/60/03/98/553600398.db2.gz	XVNPVTSYPYKPAT-SJLPKXTDSA-N	1	0	353.532	1.883	20	30		FDEDRO
C[C@H](CCC#N)C[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1	ZINC000602542382	553602596	/nfs/dbraw/zinc/60/25/96/553602596.db2.gz	WNFADIUPYYMFBF-CYBMUJFWSA-N	1	0	357.501	1.798	20	30		FDEDRO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C	ZINC000602653985	553618726	/nfs/dbraw/zinc/61/87/26/553618726.db2.gz	KGHRCULUIWHLIZ-OOKSDGMUSA-N	1	0	362.518	1.759	20	30		FDEDRO
CC(=O)N1CCN(C(=O)C[NH+]2CCC(Nc3ccccc3C#N)CC2)CC1	ZINC000602894969	553663541	/nfs/dbraw/zinc/66/35/41/553663541.db2.gz	FCEPFSHKQVVCOZ-UHFFFAOYSA-N	1	0	369.469	1.125	20	30		FDEDRO
N#Cc1ccc(NC(=O)CCN2CCO[C@H](Cn3ccnn3)C2)cc1Cl	ZINC000602909854	553666299	/nfs/dbraw/zinc/66/62/99/553666299.db2.gz	VDTQEMLGIQMOON-HNNXBMFYSA-N	1	0	374.832	1.533	20	30		FDEDRO
N#Cc1ccc(NC(=O)CCN2CCO[C@@H](Cn3ccnn3)C2)cc1Cl	ZINC000602909855	553666455	/nfs/dbraw/zinc/66/64/55/553666455.db2.gz	VDTQEMLGIQMOON-OAHLLOKOSA-N	1	0	374.832	1.533	20	30		FDEDRO
Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2CCCC2(C#N)CCOCC2)cn1	ZINC000602939146	553674717	/nfs/dbraw/zinc/67/47/17/553674717.db2.gz	AJDNHOKWUSSUAV-QGZVFWFLSA-N	1	0	359.474	1.715	20	30		FDEDRO
N#Cc1cccc(CNC(=O)Cn2cc(C[NH2+]C3CCCCC3)nn2)c1	ZINC000603210141	553733356	/nfs/dbraw/zinc/73/33/56/553733356.db2.gz	GBHSEHFWEDDXFP-UHFFFAOYSA-N	1	0	352.442	1.888	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](n3cc(C[C@@H]4CC[NH2+]C4)nn3)C2=O)cc1	ZINC000603239535	553740026	/nfs/dbraw/zinc/74/00/26/553740026.db2.gz	RSGXLGVRJXBLHS-MAUKXSAKSA-N	1	0	350.426	1.670	20	30		FDEDRO
N#Cc1cncc(-c2cn(C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)nn2)c1	ZINC000603261747	553746612	/nfs/dbraw/zinc/74/66/12/553746612.db2.gz	UTLPOVUTLHVXFG-HXUWFJFHSA-N	1	0	360.421	1.849	20	30		FDEDRO
C[N@H+](CCNc1ccc(C#N)cc1CS(N)(=O)=O)Cc1ccccc1	ZINC000603281561	553752967	/nfs/dbraw/zinc/75/29/67/553752967.db2.gz	VSKNHKGXTUCWIQ-UHFFFAOYSA-N	1	0	358.467	1.891	20	30		FDEDRO
C[NH+](C)[C@@]1(CNc2ccc(C#N)cc2CS(N)(=O)=O)CCSC1	ZINC000603301739	553759386	/nfs/dbraw/zinc/75/93/86/553759386.db2.gz	BODJCOUMTKDZQH-OAHLLOKOSA-N	1	0	354.501	1.196	20	30		FDEDRO
N#C[C@]1(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC12CCCC2	ZINC000603410675	553782037	/nfs/dbraw/zinc/78/20/37/553782037.db2.gz	IYIHGPCVKQLMBD-PXNSSMCTSA-N	1	0	360.502	1.373	20	30		FDEDRO
N#CCC1CCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1	ZINC000603436565	553788689	/nfs/dbraw/zinc/78/86/89/553788689.db2.gz	KZOOAJXVFKJFKM-SFHVURJKSA-N	1	0	363.506	1.118	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)cc1	ZINC000603684923	553810074	/nfs/dbraw/zinc/81/00/74/553810074.db2.gz	YWVSYXZSESMEKD-MOPGFXCFSA-N	1	0	371.481	1.731	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)CC1	ZINC000603885942	553824239	/nfs/dbraw/zinc/82/42/39/553824239.db2.gz	FGAZOAMMRLJYIL-INIZCTEOSA-N	1	0	356.426	1.522	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1	ZINC000604323612	553862548	/nfs/dbraw/zinc/86/25/48/553862548.db2.gz	ZFOMQPCVMGIHKR-ROUUACIJSA-N	1	0	351.454	1.711	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1	ZINC000604506486	553882517	/nfs/dbraw/zinc/88/25/17/553882517.db2.gz	ZPMLHPSTSDCGHB-KRWDZBQOSA-N	1	0	370.453	1.519	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC)C[NH+]2CCCC2)cc1	ZINC000605372161	553979366	/nfs/dbraw/zinc/97/93/66/553979366.db2.gz	NBJNXDUUVFSCCY-INIZCTEOSA-N	1	0	365.499	1.755	20	30		FDEDRO
CC(C)[N@H+](C)CCNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000608795314	554320609	/nfs/dbraw/zinc/32/06/09/554320609.db2.gz	KPGZXORXWOSVJE-UHFFFAOYSA-N	1	0	360.462	1.595	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)NCCCC[NH+]2CCOCC2)cc1	ZINC000609108502	554338054	/nfs/dbraw/zinc/33/80/54/554338054.db2.gz	GOGJNXRQQRYTQU-LJQANCHMSA-N	1	0	356.470	1.756	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000609448736	554377972	/nfs/dbraw/zinc/37/79/72/554377972.db2.gz	SWIPNADQZZEFNV-OAHLLOKOSA-N	1	0	372.469	1.384	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)cc1	ZINC000609553511	554392256	/nfs/dbraw/zinc/39/22/56/554392256.db2.gz	VUDSBFGCFYEDEP-RBUKOAKNSA-N	1	0	371.481	1.827	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1	ZINC000609569760	554394650	/nfs/dbraw/zinc/39/46/50/554394650.db2.gz	YLFIGMCHLJORMI-GOSISDBHSA-N	1	0	370.501	1.139	20	30		FDEDRO
C[N@H+](CCNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)C1CC1	ZINC000609573307	554395517	/nfs/dbraw/zinc/39/55/17/554395517.db2.gz	RUVUEAUOCZFDRV-UHFFFAOYSA-N	1	0	358.446	1.349	20	30		FDEDRO
COCCN(CCC#N)CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1	ZINC000610391810	554499426	/nfs/dbraw/zinc/49/94/26/554499426.db2.gz	SLDWNRMOULLONN-UHFFFAOYSA-N	1	0	372.513	1.891	20	30		FDEDRO
N#Cc1c2c(sc1NC(=O)CCN1CC[NH+]([C@H]3CCOC3)CC1)CCC2	ZINC000610910099	554580109	/nfs/dbraw/zinc/58/01/09/554580109.db2.gz	WDXYHYLTUUCNBO-AWEZNQCLSA-N	1	0	374.510	1.844	20	30		FDEDRO
COC(=O)CC1([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CCOCC1	ZINC000610989447	554591313	/nfs/dbraw/zinc/59/13/13/554591313.db2.gz	CXYYGAFFVXNIFX-MRXNPFEDSA-N	1	0	362.426	1.194	20	30		FDEDRO
CC[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1OCC(=O)NC	ZINC000611379716	554629973	/nfs/dbraw/zinc/62/99/73/554629973.db2.gz	BNHSCJCDQBACGL-UZLBHIALSA-N	1	0	372.469	1.661	20	30		FDEDRO
C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000611388780	554630578	/nfs/dbraw/zinc/63/05/78/554630578.db2.gz	SNCNFUUYIJFYCY-STQMWFEESA-N	1	0	372.450	1.883	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)N1CCN(c2cnccn2)CC1)c1cccc(C#N)c1	ZINC000611438936	554633494	/nfs/dbraw/zinc/63/34/94/554633494.db2.gz	UMKBGKBDTXBWQH-OAHLLOKOSA-N	1	0	350.426	1.348	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2scc(C(=O)OC)c2C)CC1	ZINC000611458785	554634971	/nfs/dbraw/zinc/63/49/71/554634971.db2.gz	CHGLPPIIPOCCMP-UHFFFAOYSA-N	1	0	365.455	1.548	20	30		FDEDRO
N#CC1(NC(=O)c2c[nH]c(C(N)=O)c2)CC[NH+](Cc2ccccc2)CC1	ZINC000611505694	554639158	/nfs/dbraw/zinc/63/91/58/554639158.db2.gz	WNHRGSCDZWZZHF-UHFFFAOYSA-N	1	0	351.410	1.402	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1	ZINC000611546189	554644755	/nfs/dbraw/zinc/64/47/55/554644755.db2.gz	JBKFSEMTTDGXIX-UHFFFAOYSA-N	1	0	362.349	1.725	20	30		FDEDRO
CC[NH+]1CCN(CCNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1	ZINC000611559260	554646313	/nfs/dbraw/zinc/64/63/13/554646313.db2.gz	HHVMVGSFIZYSCH-SFHVURJKSA-N	1	0	352.479	1.002	20	30		FDEDRO
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000611558908	554646470	/nfs/dbraw/zinc/64/64/70/554646470.db2.gz	ZVKOVPXZKDLMLP-DNVCBOLYSA-N	1	0	365.474	1.618	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCOCC3(CCOCC3)C2)cc1	ZINC000612188657	554747555	/nfs/dbraw/zinc/74/75/55/554747555.db2.gz	KOALKMDKZYWYFE-SFHVURJKSA-N	1	0	360.454	1.621	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1	ZINC000612602575	554813982	/nfs/dbraw/zinc/81/39/82/554813982.db2.gz	YQQMWONVRWYDBS-IBGZPJMESA-N	1	0	371.481	1.571	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)C1	ZINC000612674534	554823104	/nfs/dbraw/zinc/82/31/04/554823104.db2.gz	CGUILJGERUOELQ-MRXNPFEDSA-N	1	0	354.520	1.112	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)cc1	ZINC000612830372	554847080	/nfs/dbraw/zinc/84/70/80/554847080.db2.gz	NJJGSLBDLFTSSN-SJORKVTESA-N	1	0	358.442	1.028	20	30		FDEDRO
C[NH+](C)CCn1cc(NC(=O)Nc2cnn(-c3ncccc3C#N)c2)cn1	ZINC000613152530	554892868	/nfs/dbraw/zinc/89/28/68/554892868.db2.gz	ZRLFOISPZCOJMK-UHFFFAOYSA-N	1	0	365.401	1.541	20	30		FDEDRO
C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1	ZINC000613690272	554955134	/nfs/dbraw/zinc/95/51/34/554955134.db2.gz	BJXKBBKHSPNNDS-PXNSSMCTSA-N	1	0	369.513	1.669	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000613720125	554958992	/nfs/dbraw/zinc/95/89/92/554958992.db2.gz	NYMOWWNONGMTSE-FPOVZHCZSA-N	1	0	373.497	1.553	20	30		FDEDRO
C[C@H]1C[N@H+](CC(C)(C)O)CCN1C[C@H](O)COc1ccc(CC#N)cc1	ZINC000614917382	555136762	/nfs/dbraw/zinc/13/67/62/555136762.db2.gz	JIQBDSIWIQQOGJ-WMZOPIPTSA-N	1	0	361.486	1.269	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@](F)(C#N)C3)cn2)CC1	ZINC000615531810	555208499	/nfs/dbraw/zinc/20/84/99/555208499.db2.gz	QBWQDQQRQYOSAR-GOSISDBHSA-N	1	0	360.437	1.371	20	30		FDEDRO
CC[C@@]1([NH2+]CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCOC1	ZINC000616866120	555350633	/nfs/dbraw/zinc/35/06/33/555350633.db2.gz	OSDLKIUUASTMTB-AZUAARDMSA-N	1	0	374.460	1.693	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)CC2)n1	ZINC000617957501	555549057	/nfs/dbraw/zinc/54/90/57/555549057.db2.gz	LWQBYZQMDFWECF-SFHVURJKSA-N	1	0	368.485	1.802	20	30		FDEDRO
C[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)[C@H]1CN(C)CCO1	ZINC000618966648	555702188	/nfs/dbraw/zinc/70/21/88/555702188.db2.gz	WDYYPBVJISRWMK-MAUKXSAKSA-N	1	0	354.458	1.667	20	30		FDEDRO
C[C@@H]1CN(CC[N@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)C[C@H](C)O1	ZINC000619052055	555717516	/nfs/dbraw/zinc/71/75/16/555717516.db2.gz	LYAFCOGLDIBOQD-SCTDSRPQSA-N	1	0	361.486	1.533	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](C)C3CC[NH+](C)CC3)CC2)o1	ZINC000619436290	555776370	/nfs/dbraw/zinc/77/63/70/555776370.db2.gz	REAUEKYXWZKZFV-CYBMUJFWSA-N	1	0	359.474	1.918	20	30		FDEDRO
C[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)n1cnc(C#N)n1	ZINC000619599707	555806652	/nfs/dbraw/zinc/80/66/52/555806652.db2.gz	YXACMESKFLPJBV-DOTOQJQBSA-N	1	0	368.441	1.118	20	30		FDEDRO
C[N@@H+]1CCCN(CCCNC(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1	ZINC000619613206	555809041	/nfs/dbraw/zinc/80/90/41/555809041.db2.gz	SDNAMOXCKSJQQB-UHFFFAOYSA-N	1	0	366.469	1.501	20	30		FDEDRO
C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H](C)n2cnc(C#N)n2)CC1	ZINC000619614660	555809903	/nfs/dbraw/zinc/80/99/03/555809903.db2.gz	JQHOUKJSGMXVNX-KGLIPLIRSA-N	1	0	353.430	1.448	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1	ZINC000619711039	555824377	/nfs/dbraw/zinc/82/43/77/555824377.db2.gz	FSRUYDSQBUEQIR-QGZVFWFLSA-N	1	0	350.488	1.673	20	30		FDEDRO
CS(=O)(=O)NC1CC([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1	ZINC000619747941	555830321	/nfs/dbraw/zinc/83/03/21/555830321.db2.gz	GSGNSYZWZIROBU-UHFFFAOYSA-N	1	0	374.470	1.029	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)c1	ZINC000624269556	556562289	/nfs/dbraw/zinc/56/22/89/556562289.db2.gz	JUOQREZMWBSXAD-AWEZNQCLSA-N	1	0	365.499	1.611	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC[NH2+][C@H]2CC)cc1	ZINC000625847144	556937951	/nfs/dbraw/zinc/93/79/51/556937951.db2.gz	MKHFJUPDRFTVHA-JKSUJKDBSA-N	1	0	366.487	1.755	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2CC)cc1	ZINC000626865053	557202940	/nfs/dbraw/zinc/20/29/40/557202940.db2.gz	FOSAIZNLPDBGIR-LSDHHAIUSA-N	1	0	359.430	1.189	20	30		FDEDRO
C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C[NH2+]1	ZINC000626888276	557215420	/nfs/dbraw/zinc/21/54/20/557215420.db2.gz	KLZZABODORLSNV-HNAYVOBHSA-N	1	0	362.433	1.677	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1	ZINC000627434750	557400610	/nfs/dbraw/zinc/40/06/10/557400610.db2.gz	RGABBYFVRTVPMC-ARFHVFGLSA-N	1	0	351.491	1.450	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)cc1	ZINC000628740661	557679050	/nfs/dbraw/zinc/67/90/50/557679050.db2.gz	UZXIWPKBBLRGND-OAHLLOKOSA-N	1	0	365.499	1.613	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)COc2ccc(Br)cn2)CC1	ZINC000630941498	557961457	/nfs/dbraw/zinc/96/14/57/557961457.db2.gz	DRCHXYYUHXSERZ-UHFFFAOYSA-N	1	0	354.248	1.990	20	30		FDEDRO
C=CCN(Cc1ccccc1)S(=O)(=O)CCCN1CC[NH+](C)CC1	ZINC000631724384	558032794	/nfs/dbraw/zinc/03/27/94/558032794.db2.gz	ZKENDNLTEBCUMT-UHFFFAOYSA-N	1	0	351.516	1.642	20	30		FDEDRO
C=CCn1c(Cc2cc(C)[nH]n2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000634337428	558451680	/nfs/dbraw/zinc/45/16/80/558451680.db2.gz	UHJPIZAEMRIAGF-INIZCTEOSA-N	1	0	371.489	1.245	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1	ZINC000636936051	568212798	/nfs/dbraw/zinc/21/27/98/568212798.db2.gz	HTOPNFSWQCZPMC-SJORKVTESA-N	1	0	363.502	1.561	20	30		FDEDRO
N#Cc1cc(F)c(N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1Br	ZINC000313795804	568326447	/nfs/dbraw/zinc/32/64/47/568326447.db2.gz	FBAJQRJUAVHYPX-GFCCVEGCSA-N	1	0	353.239	1.944	20	30		FDEDRO
CN(C(=O)COc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000365229403	568337435	/nfs/dbraw/zinc/33/74/35/568337435.db2.gz	SOVMILUIPYUHMG-GOSISDBHSA-N	1	0	356.470	1.564	20	30		FDEDRO
CN1CC[C@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CC1=O	ZINC000365393684	568605610	/nfs/dbraw/zinc/60/56/10/568605610.db2.gz	JXRBNXFRYGKGGS-KRWDZBQOSA-N	1	0	354.454	1.529	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)COc1ccc(-c2nn[nH]n2)cc1	ZINC000821181297	607322672	/nfs/dbraw/zinc/32/26/72/607322672.db2.gz	LPYZITBRNSHMKY-CQSZACIVSA-N	1	0	357.414	1.522	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CCc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000735398485	598360987	/nfs/dbraw/zinc/36/09/87/598360987.db2.gz	HSUXMQUROKSDTG-UHFFFAOYSA-N	1	0	354.458	1.956	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[nH]n2)CC1	ZINC000735426531	598361499	/nfs/dbraw/zinc/36/14/99/598361499.db2.gz	RIDZHOYDPKFPFY-CYBMUJFWSA-N	1	0	356.430	1.401	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)ccc1F	ZINC000272343089	674433708	/nfs/dbraw/zinc/43/37/08/674433708.db2.gz	XFCAKOQKIUGBRH-YPMHNXCESA-N	1	0	355.435	1.099	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+]Cc1cc2c(c(Br)c1)OCO2	ZINC000272822472	674477846	/nfs/dbraw/zinc/47/78/46/674477846.db2.gz	JBOHSYGUIRSOKP-UHFFFAOYSA-N	1	0	362.245	1.868	20	30		FDEDRO
CN(C(=[NH2+])NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CC1	ZINC000273379817	674532352	/nfs/dbraw/zinc/53/23/52/674532352.db2.gz	XGRCJOPAWFNLDL-UHFFFAOYSA-N	1	0	350.488	1.770	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1cc(Cl)cc2c1OCC2	ZINC000273487964	674542228	/nfs/dbraw/zinc/54/22/28/674542228.db2.gz	MRSBALGCCHFYMH-UHFFFAOYSA-N	1	0	352.866	1.402	20	30		FDEDRO
C=CCC[C@H](O)C[NH+]1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1	ZINC000819733832	606746348	/nfs/dbraw/zinc/74/63/48/606746348.db2.gz	BWLUJOXDKZFINI-KRWDZBQOSA-N	1	0	370.457	1.844	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CCCOc2cccc(-c3nn[nH]n3)c2)CC1	ZINC000819701844	606888608	/nfs/dbraw/zinc/88/86/08/606888608.db2.gz	OKGAZTGUAYARAB-UHFFFAOYSA-N	1	0	368.441	1.097	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(CC#N)c2)c1-c1nn[nH]n1	ZINC000826082997	608020446	/nfs/dbraw/zinc/02/04/46/608020446.db2.gz	DRSKUWVVVDRMBZ-UHFFFAOYSA-N	1	0	365.401	1.060	20	30		FDEDRO
C#CCCCCC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1	ZINC000823838544	608295367	/nfs/dbraw/zinc/29/53/67/608295367.db2.gz	QZGPIBRPURXYLK-UHFFFAOYSA-N	1	0	354.458	1.951	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cccc(N)c1	ZINC000274344337	674590298	/nfs/dbraw/zinc/59/02/98/674590298.db2.gz	BZPYTSQONWTMFZ-UHFFFAOYSA-N	1	0	358.467	1.893	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)c1	ZINC000274467723	674592305	/nfs/dbraw/zinc/59/23/05/674592305.db2.gz	KXWVJGHTRYZSAH-MRXNPFEDSA-N	1	0	365.499	1.754	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CCc2nccs2)CC1	ZINC000286434963	675895571	/nfs/dbraw/zinc/89/55/71/675895571.db2.gz	GRBSLTMCUAXCLT-UHFFFAOYSA-N	1	0	350.488	1.301	20	30		FDEDRO
Cc1cc(S(=O)(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)ccc1C#N	ZINC000277819450	675046672	/nfs/dbraw/zinc/04/66/72/675046672.db2.gz	ISTQJAJKQCIRQB-HNNXBMFYSA-N	1	0	365.499	1.580	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)c1	ZINC000042586725	670924658	/nfs/dbraw/zinc/92/46/58/670924658.db2.gz	OKAXCAJKAAGUJZ-MRXNPFEDSA-N	1	0	365.499	1.304	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)NCc1ccccc1)N1CCC[C@@H](C)C1	ZINC000072877349	671397032	/nfs/dbraw/zinc/39/70/32/671397032.db2.gz	XHVFOGXOQQBGSN-OAHLLOKOSA-N	1	0	352.504	1.413	20	30		FDEDRO
C[NH+]=C(NCCNS(=O)(=O)c1ccccc1)N1C[C@H](C)C[C@H](C)C1	ZINC000073069060	671398390	/nfs/dbraw/zinc/39/83/90/671398390.db2.gz	VRKHGGZZZAJOHF-GASCZTMLSA-N	1	0	352.504	1.518	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)NCc1ccccc1)N1CCC(C)CC1	ZINC000073462444	671401358	/nfs/dbraw/zinc/40/13/58/671401358.db2.gz	DYLKVAWVTACQQB-UHFFFAOYSA-N	1	0	352.504	1.413	20	30		FDEDRO
C[NH+]=C(NCCNS(=O)(=O)c1ccc(C)cc1)N1CCC(C)CC1	ZINC000073450685	671401507	/nfs/dbraw/zinc/40/15/07/671401507.db2.gz	CISWMJHKKRVIDV-UHFFFAOYSA-N	1	0	352.504	1.581	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@H](C)c2nccs2)CC1	ZINC000286727553	675901039	/nfs/dbraw/zinc/90/10/39/675901039.db2.gz	RJEUDGAAEJZUOP-ZDUSSCGKSA-N	1	0	350.488	1.472	20	30		FDEDRO
C=C(Br)CNC(=[NH+]CC)N1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000073775732	671404429	/nfs/dbraw/zinc/40/44/29/671404429.db2.gz	LBWFZAWHNSUROC-CYBMUJFWSA-N	1	0	373.295	1.184	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2nc(C3CC3)cs2)CC1	ZINC000286737782	675902063	/nfs/dbraw/zinc/90/20/63/675902063.db2.gz	RYDPLEBLJIEIKS-UHFFFAOYSA-N	1	0	362.499	1.793	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N(C)CCCC[NH+](C)C)c1	ZINC000085295832	671481318	/nfs/dbraw/zinc/48/13/18/671481318.db2.gz	ARCFJHDDFAEVJV-UHFFFAOYSA-N	1	0	353.488	1.565	20	30		FDEDRO
CCc1nc(CNC(=[NH+]C)N2CCN(C(=O)c3ccco3)CC2)cs1	ZINC000085716294	671481782	/nfs/dbraw/zinc/48/17/82/671481782.db2.gz	XXPUHEWLWMJVAX-UHFFFAOYSA-N	1	0	361.471	1.832	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC2(C[NH+](C)C)CCC2)cc1	ZINC000287031300	675911147	/nfs/dbraw/zinc/91/11/47/675911147.db2.gz	CQTMKZXMOKCPDR-CYBMUJFWSA-N	1	0	364.471	1.978	20	30		FDEDRO
CC(C)COC[C@@H](O)CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1	ZINC000104170450	671594656	/nfs/dbraw/zinc/59/46/56/671594656.db2.gz	JGLPLQCTLIFCBJ-KRWDZBQOSA-N	1	0	352.454	1.296	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCCCOCC(F)(F)F)CC1	ZINC000104168702	671594746	/nfs/dbraw/zinc/59/47/46/671594746.db2.gz	LTRWQJQPZNTWFK-UHFFFAOYSA-N	1	0	368.400	1.823	20	30		FDEDRO
[NH2+]=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCSCC1	ZINC000104175591	671595002	/nfs/dbraw/zinc/59/50/02/671595002.db2.gz	SYXKWGJXOUILGP-UHFFFAOYSA-N	1	0	368.528	1.335	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)NCC[N@@H+](C)CCCC)cc1	ZINC000112308891	671639490	/nfs/dbraw/zinc/63/94/90/671639490.db2.gz	JYFPZORYZQXNDM-UHFFFAOYSA-N	1	0	351.472	1.060	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1cccs1	ZINC000121306722	671702907	/nfs/dbraw/zinc/70/29/07/671702907.db2.gz	JFPLWVORGOCCSG-KBPBESRZSA-N	1	0	372.512	1.692	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1	ZINC000121344959	671703101	/nfs/dbraw/zinc/70/31/01/671703101.db2.gz	HKAOOGJYDQLVRM-ZDUSSCGKSA-N	1	0	370.471	1.729	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)NCC1CCC1)N1CCc2ccccc2C1	ZINC000126923851	671764068	/nfs/dbraw/zinc/76/40/68/671764068.db2.gz	YRIBTRQZVMDYMF-UHFFFAOYSA-N	1	0	364.515	1.340	20	30		FDEDRO
CC(C)CCNC(=[NH2+])NCCNS(=O)(=O)c1ccc(Cl)s1	ZINC000130681413	671796554	/nfs/dbraw/zinc/79/65/54/671796554.db2.gz	RJOYTWAWSVEAAW-UHFFFAOYSA-N	1	0	352.913	1.630	20	30		FDEDRO
C#CCN1CCN(C(=O)CN(C)[C@@H]2CCCc3nc(CC)sc32)CC1	ZINC000152709201	671888860	/nfs/dbraw/zinc/88/88/60/671888860.db2.gz	LQGAJBRXIPNELH-MRXNPFEDSA-N	1	0	360.527	1.792	20	30		FDEDRO
C=C(Br)CNC(=[NH+]C)N1CCN(c2nc(CC)ns2)CC1	ZINC000153166159	671896644	/nfs/dbraw/zinc/89/66/44/671896644.db2.gz	VLPHDSYAICIFRW-UHFFFAOYSA-N	1	0	373.324	1.707	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)ccc1F	ZINC000153217857	671898151	/nfs/dbraw/zinc/89/81/51/671898151.db2.gz	VVGLWAXUUABPET-RYUDHWBXSA-N	1	0	355.435	1.112	20	30		FDEDRO
C#CCOc1ccc(C[NH2+]CCS(=O)(=O)NCc2ccccc2)cc1	ZINC000172116029	672063769	/nfs/dbraw/zinc/06/37/69/672063769.db2.gz	XJFOEKHKHXRBAM-UHFFFAOYSA-N	1	0	358.463	1.908	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[NH2+]C(C)(C)C2)ccc1F	ZINC000175398677	672103515	/nfs/dbraw/zinc/10/35/15/672103515.db2.gz	WFWQGZBYAGKGDR-UHFFFAOYSA-N	1	0	355.435	1.114	20	30		FDEDRO
CS(=O)(=O)N1CC(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1	ZINC000186885713	672276876	/nfs/dbraw/zinc/27/68/76/672276876.db2.gz	QGGYLFYYQVBRMM-UHFFFAOYSA-N	1	0	366.365	1.203	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1	ZINC000236775705	672418615	/nfs/dbraw/zinc/41/86/15/672418615.db2.gz	VPVXRXAVMQUJRJ-INIZCTEOSA-N	1	0	353.488	1.596	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)C2CCC([NH3+])CC2)cc1	ZINC000237236883	672421683	/nfs/dbraw/zinc/42/16/83/672421683.db2.gz	CNOQUNWFVXSOCF-UHFFFAOYSA-N	1	0	351.472	1.493	20	30		FDEDRO
C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCN1CC[NH2+]CC1	ZINC000237843205	672429286	/nfs/dbraw/zinc/42/92/86/672429286.db2.gz	MPHBPHZEGOXWSI-UHFFFAOYSA-N	1	0	357.376	1.905	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1	ZINC000237888761	672429887	/nfs/dbraw/zinc/42/98/87/672429887.db2.gz	QJAOUGWOLKYHDD-HOCLYGCPSA-N	1	0	351.472	1.398	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000288629503	676032114	/nfs/dbraw/zinc/03/21/14/676032114.db2.gz	NRCFKZYAIFMWKG-UHFFFAOYSA-N	1	0	372.922	1.716	20	30		FDEDRO
CC[NH+]=C(NCCc1csc(C)n1)N1CCO[C@@H](c2cnn(C)c2)C1	ZINC000261710432	672656605	/nfs/dbraw/zinc/65/66/05/672656605.db2.gz	HEDLVUJBKBPKGF-MRXNPFEDSA-N	1	0	362.503	1.767	20	30		FDEDRO
CC[NH+]=C(NCC1(O)CCCC1)N1CCN(c2nc(CC)ns2)CC1	ZINC000261736006	672661533	/nfs/dbraw/zinc/66/15/33/672661533.db2.gz	JZULCTINKCBYBB-UHFFFAOYSA-N	1	0	366.535	1.493	20	30		FDEDRO
C[NH+]=C(NCc1nnc(C)n1C)NC[C@H](O)c1cc2ccccc2s1	ZINC000261752265	672664964	/nfs/dbraw/zinc/66/49/64/672664964.db2.gz	LWZACIRLQWISIE-ZDUSSCGKSA-N	1	0	358.471	1.737	20	30		FDEDRO
C/[NH+]=C(/NCc1cn2ccsc2n1)N1CCN(C[C@H]2CCOC2)CC1	ZINC000261838078	672680826	/nfs/dbraw/zinc/68/08/26/672680826.db2.gz	WAJCQZJPLVAGOL-CQSZACIVSA-N	1	0	362.503	1.125	20	30		FDEDRO
CC(C)(C)NC(=[NH2+])NCC(=O)Nc1ccc(I)cc1	ZINC000261894749	672690079	/nfs/dbraw/zinc/69/00/79/672690079.db2.gz	URJUCAHCUZDFEU-UHFFFAOYSA-N	1	0	374.226	1.933	20	30		FDEDRO
C[NH+]=C(NCc1cn2cc(Cl)ccc2n1)N1CCO[C@H](COC)C1	ZINC000261914589	672693060	/nfs/dbraw/zinc/69/30/60/672693060.db2.gz	JQAKJVCWIOIJRJ-AWEZNQCLSA-N	1	0	351.838	1.410	20	30		FDEDRO
C=CCOc1ccccc1CNC(=[NH+]C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261944451	672699053	/nfs/dbraw/zinc/69/90/53/672699053.db2.gz	FKSPJIWJPDGYQN-UHFFFAOYSA-N	1	0	365.499	1.836	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1COCCO1)N[C@H]1CCN(c2ncccc2Cl)C1	ZINC000261948829	672699592	/nfs/dbraw/zinc/69/95/92/672699592.db2.gz	GSACGSBECBOHEE-UONOGXRCSA-N	1	0	367.881	1.284	20	30		FDEDRO
C[NH+]=C(NC[C@]1(C)CCCS1)NC[C@@]1(N2CCOCC2)CCSC1	ZINC000261961253	672702802	/nfs/dbraw/zinc/70/28/02/672702802.db2.gz	KFVNJSKUSGMJBD-IRXDYDNUSA-N	1	0	372.604	1.645	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NCCN2CCN(C(C)=O)CC2)cc1Cl	ZINC000261978264	672705733	/nfs/dbraw/zinc/70/57/33/672705733.db2.gz	GWAFIMKTRAFOLA-UHFFFAOYSA-N	1	0	353.854	1.239	20	30		FDEDRO
CCC[C@@]1(C)CCCN(C(NC[C@H]2CCCN2S(C)(=O)=O)=[NH+]C)C1	ZINC000261983715	672707098	/nfs/dbraw/zinc/70/70/98/672707098.db2.gz	RRRYMXDNPREJEB-WBVHZDCISA-N	1	0	358.552	1.888	20	30		FDEDRO
CC[NH+]=C(NC[C@@]1(O)CCSC1)N1CC[C@@H](Oc2ccccn2)C1	ZINC000262021668	672713211	/nfs/dbraw/zinc/71/32/11/672713211.db2.gz	YYGZWNYMXIGWAA-PBHICJAKSA-N	1	0	350.488	1.368	20	30		FDEDRO
CN(C)C(=O)CNC(NC[C@@H]1CCOC1)=[NH+][C@@H]1CC[C@@H]2CCC[C@H]2C1	ZINC000262274304	672759741	/nfs/dbraw/zinc/75/97/41/672759741.db2.gz	HOLLYJIHJVRKCU-LUKYLMHMSA-N	1	0	350.507	1.615	20	30		FDEDRO
CN(C)[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)c1cccs1	ZINC000262356133	672775943	/nfs/dbraw/zinc/77/59/43/672775943.db2.gz	UZONJNIGNHKKIH-CQSZACIVSA-N	1	0	359.503	1.278	20	30		FDEDRO
C=CCNC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C	ZINC000262358771	672776185	/nfs/dbraw/zinc/77/61/85/672776185.db2.gz	GIINDQWFXKAGMK-JONQDZQNSA-N	1	0	369.531	1.346	20	30		FDEDRO
O=S1(=O)CC[C@@H](CNC(NCc2ccc3c(c2)OCO3)=[NH+]C2CC2)C1	ZINC000262366663	672777705	/nfs/dbraw/zinc/77/77/05/672777705.db2.gz	HWMTXKMCZVUMSR-ZDUSSCGKSA-N	1	0	365.455	1.048	20	30		FDEDRO
CC(C)[C@@H]1C[C@H](NC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)CCO1	ZINC000262369440	672778142	/nfs/dbraw/zinc/77/81/42/672778142.db2.gz	IHVFFBQTGKWVFH-BMFZPTHFSA-N	1	0	357.520	1.322	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NCc1cn2cc(Br)cc(C)c2n1	ZINC000262392507	672781925	/nfs/dbraw/zinc/78/19/25/672781925.db2.gz	RVLOYMPBCJJOIC-SNVBAGLBSA-N	1	0	354.252	1.844	20	30		FDEDRO
C=CCNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CCC2(C1)CCOCC2	ZINC000262403698	672783793	/nfs/dbraw/zinc/78/37/93/672783793.db2.gz	ODSOFZXFDJAMQU-HNNXBMFYSA-N	1	0	355.504	1.055	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCSC(CC)(CC)C1	ZINC000262406388	672784359	/nfs/dbraw/zinc/78/43/59/672784359.db2.gz	OQIMMSDAKFVEAU-AWEZNQCLSA-N	1	0	361.577	1.994	20	30		FDEDRO
CC[NH+]=C(NC[C@@]1(O)CCSC1)N1CCN(c2ccccc2F)CC1	ZINC000262409671	672784706	/nfs/dbraw/zinc/78/47/06/672784706.db2.gz	PAXRXHYWHPJPBI-SFHVURJKSA-N	1	0	366.506	1.781	20	30		FDEDRO
[NH2+]=C(NC[C@@H]1CCS(=O)(=O)C1)Nc1cccc(OC(F)(F)F)c1	ZINC000262413478	672785557	/nfs/dbraw/zinc/78/55/57/672785557.db2.gz	YGQMQNGOKXTPOO-VIFPVBQESA-N	1	0	351.350	1.747	20	30		FDEDRO
CC[NH+]=C(NCC(C)(C)N1CCOCC1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C	ZINC000262424923	672787260	/nfs/dbraw/zinc/78/72/60/672787260.db2.gz	NOTCXCOYSPVYAG-ARFHVFGLSA-N	1	0	352.523	1.466	20	30		FDEDRO
C#CCNC(N[C@@H]1CCc2ccccc2C1)=[NH+]C[C@@H]1CCS(=O)(=O)C1	ZINC000262429776	672788312	/nfs/dbraw/zinc/78/83/12/672788312.db2.gz	SGFRTWIENMTLBW-MAUKXSAKSA-N	1	0	359.495	1.147	20	30		FDEDRO
CC(C)[C@@H]1CN(C(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)CCS1	ZINC000262442718	672790494	/nfs/dbraw/zinc/79/04/94/672790494.db2.gz	UWJZHJIPNBZWCE-HIFRSBDPSA-N	1	0	359.561	1.603	20	30		FDEDRO
C[NH+]=C(NCc1nc(C(F)(F)F)cs1)NC[C@@]1(O)CCSC1	ZINC000262444281	672790712	/nfs/dbraw/zinc/79/07/12/672790712.db2.gz	VBGPHXJGXNVVKV-NSHDSACASA-N	1	0	354.423	1.695	20	30		FDEDRO
CS(=O)(=O)C1(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)CC1	ZINC000262459197	672793540	/nfs/dbraw/zinc/79/35/40/672793540.db2.gz	LYDNRCWSDZJJGO-UHFFFAOYSA-N	1	0	370.906	1.354	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCO[C@@H](C(C)C)C1	ZINC000262472575	672795152	/nfs/dbraw/zinc/79/51/52/672795152.db2.gz	ZFCQDKFPPFDYLN-ARFHVFGLSA-N	1	0	359.536	1.568	20	30		FDEDRO
C#CCNC(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)=[NH+]CC	ZINC000262634029	672822145	/nfs/dbraw/zinc/82/21/45/672822145.db2.gz	LYIQQVQWZRDYOM-UHFFFAOYSA-N	1	0	362.499	1.550	20	30		FDEDRO
CN(CCNC(=[NH2+])NC1CCCCC1)S(=O)(=O)c1ccc(F)cc1	ZINC000262697053	672831875	/nfs/dbraw/zinc/83/18/75/672831875.db2.gz	FCDAOONVIGKLAN-UHFFFAOYSA-N	1	0	356.467	1.683	20	30		FDEDRO
CCN(CC)C(=[NH2+])NCc1ccccc1CS(=O)(=O)N1CCOCC1	ZINC000264070244	672900363	/nfs/dbraw/zinc/90/03/63/672900363.db2.gz	DANDNLQMWCCUJC-UHFFFAOYSA-N	1	0	368.503	1.005	20	30		FDEDRO
CC(C)c1cccc(NC(=[NH2+])NCCC(=O)N[C@H]2CCS(=O)(=O)C2)c1	ZINC000264106748	672901515	/nfs/dbraw/zinc/90/15/15/672901515.db2.gz	PSXSVKPWZSWPEF-HNNXBMFYSA-N	1	0	366.487	1.230	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NCCNC(=O)c1cccc(Br)c1	ZINC000264254121	672906202	/nfs/dbraw/zinc/90/62/02/672906202.db2.gz	HYDBDBZCZVCFBS-SNVBAGLBSA-N	1	0	357.252	1.118	20	30		FDEDRO
C=C1CC[NH+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000264457869	672913929	/nfs/dbraw/zinc/91/39/29/672913929.db2.gz	JPDVBUPHEOBPKX-UHFFFAOYSA-N	1	0	351.472	1.035	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2cc(S(N)(=O)=O)ccc2OC)CC1	ZINC000264520537	672916336	/nfs/dbraw/zinc/91/63/36/672916336.db2.gz	WTVZMRYWGJDHQL-UHFFFAOYSA-N	1	0	367.471	1.113	20	30		FDEDRO
COc1ccc(O[C@@H](C)CNC(=[NH2+])NCCCN2CCOCC2)cc1	ZINC000267462491	673306770	/nfs/dbraw/zinc/30/67/70/673306770.db2.gz	VQQPFTSPXYSUAJ-HNNXBMFYSA-N	1	0	350.463	1.089	20	30		FDEDRO
COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000289637238	676161730	/nfs/dbraw/zinc/16/17/30/676161730.db2.gz	BXDYQMRTGZXYDL-RHSMWYFYSA-N	1	0	365.455	1.438	20	30		FDEDRO
C#CCCS(=O)(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1	ZINC000279558988	675312952	/nfs/dbraw/zinc/31/29/52/675312952.db2.gz	XIXMZTGLVVLPAB-UHFFFAOYSA-N	1	0	363.527	1.840	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000282319224	675622040	/nfs/dbraw/zinc/62/20/40/675622040.db2.gz	OLXVQNXUAKXVIT-RYRKJORJSA-N	1	0	364.515	1.965	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1ccsc1Br	ZINC000282508129	675631451	/nfs/dbraw/zinc/63/14/51/675631451.db2.gz	FLJGZIHXQINIIA-UHFFFAOYSA-N	1	0	361.309	1.637	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1	ZINC000282593055	675637433	/nfs/dbraw/zinc/63/74/33/675637433.db2.gz	HYQYGVGRJQLVNM-INIZCTEOSA-N	1	0	364.515	1.919	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000282810895	675642176	/nfs/dbraw/zinc/64/21/76/675642176.db2.gz	ZDXNIELAQIBGJG-NVXWUHKLSA-N	1	0	350.488	1.577	20	30		FDEDRO
NC(=O)c1ncn(C2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)c1N	ZINC000283886114	675663026	/nfs/dbraw/zinc/66/30/26/675663026.db2.gz	FCZOXFZNYZFSBA-UHFFFAOYSA-N	1	0	357.845	1.906	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N(C)CC1(CO)CC1)C(C)C	ZINC000284072640	675671498	/nfs/dbraw/zinc/67/14/98/675671498.db2.gz	NXVNKZSEBXPVHB-MRXNPFEDSA-N	1	0	351.491	1.032	20	30		FDEDRO
C[NH+]1CCC(Oc2ccc(CNS(=O)(=O)CC3(C#N)CC3)cc2)CC1	ZINC000284736941	675747024	/nfs/dbraw/zinc/74/70/24/675747024.db2.gz	SPHJOUNPLCZOSI-UHFFFAOYSA-N	1	0	363.483	1.883	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2ccc(C#N)c(F)c2)CC1	ZINC000292510873	676300465	/nfs/dbraw/zinc/30/04/65/676300465.db2.gz	HQZQPNHLJBVQMM-UHFFFAOYSA-N	1	0	355.435	1.211	20	30		FDEDRO
C#CCNC(=O)CC[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1	ZINC000292837178	676319658	/nfs/dbraw/zinc/31/96/58/676319658.db2.gz	PEVWDLNNHYSNAC-UHFFFAOYSA-N	1	0	363.845	1.836	20	30		FDEDRO
CC(C)[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C1(CO)CCC1	ZINC000292964424	676332719	/nfs/dbraw/zinc/33/27/19/676332719.db2.gz	FZRLIJUFCDEQKO-MRXNPFEDSA-N	1	0	351.472	1.504	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cnn(C)c2I)CC1	ZINC000293141393	676334848	/nfs/dbraw/zinc/33/48/48/676334848.db2.gz	RUGFKUIBAIHMLT-UHFFFAOYSA-N	1	0	374.226	1.405	20	30		FDEDRO
C[NH+](C)CCCOC1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1	ZINC000293250236	676340055	/nfs/dbraw/zinc/34/00/55/676340055.db2.gz	GPSXMQPFUSEOTJ-UHFFFAOYSA-N	1	0	369.462	1.819	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1	ZINC000297057401	676422808	/nfs/dbraw/zinc/42/28/08/676422808.db2.gz	PGBCDYQMZKJATM-MQVJKMGUSA-N	1	0	363.483	1.506	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N[C@H](CO)c1cccc(Br)c1	ZINC000297076738	676422981	/nfs/dbraw/zinc/42/29/81/676422981.db2.gz	ZBUGXQOMSZHRSN-OAHLLOKOSA-N	1	0	368.275	1.737	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@](C)(C(N)=O)C(C)C)c(OC)c1	ZINC000297312856	676425648	/nfs/dbraw/zinc/42/56/48/676425648.db2.gz	BVHFDVGLKIPLDC-HNAYVOBHSA-N	1	0	350.459	1.653	20	30		FDEDRO
COC[C@@](C)(CCO)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000298693377	676488811	/nfs/dbraw/zinc/48/88/11/676488811.db2.gz	SNKGPLSMGZBQOD-QGZVFWFLSA-N	1	0	351.472	1.814	20	30		FDEDRO
[NH2+]=C(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)NC[C@H]1CCCO1	ZINC000303256595	676542376	/nfs/dbraw/zinc/54/23/76/676542376.db2.gz	IHIZJUGMNFXRQQ-SJORKVTESA-N	1	0	366.893	1.797	20	30		FDEDRO
C[NH+]=C(NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)NC1CC1	ZINC000303412383	676542602	/nfs/dbraw/zinc/54/26/02/676542602.db2.gz	YBUMCBYGRHBACL-AWEZNQCLSA-N	1	0	364.515	1.935	20	30		FDEDRO
CCOCCCNC(=[NH2+])NCc1ccccc1S(=O)(=O)NC(C)(C)C	ZINC000303870794	676543285	/nfs/dbraw/zinc/54/32/85/676543285.db2.gz	FNKGKCSVMUZAGO-UHFFFAOYSA-N	1	0	370.519	1.594	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCC3(C)OCCO3)=[NH+]C[C@@H]2C1	ZINC000305838567	676545579	/nfs/dbraw/zinc/54/55/79/676545579.db2.gz	YBNCHRCAZNAERF-CYBMUJFWSA-N	1	0	354.451	1.020	20	30		FDEDRO
COC[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[C@@H]1CCCO1	ZINC000328641537	676600522	/nfs/dbraw/zinc/60/05/22/676600522.db2.gz	FPIBNNWJFYXJGS-ULQDDVLXSA-N	1	0	355.479	1.139	20	30		FDEDRO
Cc1nnc([C@@H](C)NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)s1	ZINC000328738744	676604725	/nfs/dbraw/zinc/60/47/25/676604725.db2.gz	MHYPNYXMKWSISE-TZMCWYRMSA-N	1	0	353.492	1.866	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1	ZINC000328821497	676608376	/nfs/dbraw/zinc/60/83/76/676608376.db2.gz	QKKBRUJAWLWQKK-BRWVUGGUSA-N	1	0	350.438	1.093	20	30		FDEDRO
C[NH+]1CCN(c2ccc(NC(=O)C[C@H]3CCS(=O)(=O)C3)cn2)CC1	ZINC000328822591	676608715	/nfs/dbraw/zinc/60/87/15/676608715.db2.gz	GHEDTUSOEYDEHM-CYBMUJFWSA-N	1	0	352.460	1.246	20	30		FDEDRO
Cn1ncnc1[C@@H]1COCCN1C(=O)NCC1([NH+](C)C)CCCCC1	ZINC000328888640	676610888	/nfs/dbraw/zinc/61/08/88/676610888.db2.gz	QFKXMGAYCGXREE-AWEZNQCLSA-N	1	0	350.467	1.367	20	30		FDEDRO
CC[N@@H+]1C[C@H](C)N(C([O-])=[NH+][C@@H]2CCc3nc(COC)nn3C2)C[C@H]1C	ZINC000328943710	676613040	/nfs/dbraw/zinc/61/30/40/676613040.db2.gz	AKQDCDRFLPPMET-HZSPNIEDSA-N	1	0	350.467	1.068	20	30		FDEDRO
C[C@H](C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)N1CCN(C)CC1	ZINC000328984965	676614962	/nfs/dbraw/zinc/61/49/62/676614962.db2.gz	ZJUMZUKYPNCOID-KBAYOESNSA-N	1	0	352.523	1.347	20	30		FDEDRO
O=C(NCC[NH+]1CCCCC1)N[C@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000329010634	676615985	/nfs/dbraw/zinc/61/59/85/676615985.db2.gz	OLKOHOONXJTRRE-INIZCTEOSA-N	1	0	351.495	1.656	20	30		FDEDRO
C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000329011364	676616068	/nfs/dbraw/zinc/61/60/68/676616068.db2.gz	DRHDOSHWTOLOQT-RUENVJTFSA-N	1	0	351.491	1.637	20	30		FDEDRO
CC(C)N1C(=O)N[C@@H]2CN(C(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC[C@@H]21	ZINC000329059532	676617903	/nfs/dbraw/zinc/61/79/03/676617903.db2.gz	NBXHVGGYFQCXPV-FPCVCCKLSA-N	1	0	351.495	1.854	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C)[C@@H](c2nc(C)no2)C1	ZINC000329151111	676622823	/nfs/dbraw/zinc/62/28/23/676622823.db2.gz	ZXTLAKYKCKCNRD-HUUCEWRRSA-N	1	0	350.467	1.455	20	30		FDEDRO
C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)CCO1	ZINC000329186835	676624016	/nfs/dbraw/zinc/62/40/16/676624016.db2.gz	QQEQYHBBHPRMJO-GOEBONIOSA-N	1	0	352.479	1.096	20	30		FDEDRO
CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@H]2CC(=O)N(C(C)C)C2)C1	ZINC000329194013	676624500	/nfs/dbraw/zinc/62/45/00/676624500.db2.gz	RRYHWYDZXKTEBM-JYJNAYRXSA-N	1	0	352.479	1.095	20	30		FDEDRO
O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O	ZINC000329198576	676624668	/nfs/dbraw/zinc/62/46/68/676624668.db2.gz	URCBHYUEUJLPEQ-WNRNVDISSA-N	1	0	351.491	1.779	20	30		FDEDRO
CCn1cnnc1CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000329288395	676631131	/nfs/dbraw/zinc/63/11/31/676631131.db2.gz	PQPDVMFTELLAML-CABCVRRESA-N	1	0	350.467	1.070	20	30		FDEDRO
C[C@H](C(=O)NCCS(=O)(=O)N1CCSCC1)[NH+]1CCCCCC1	ZINC000329343255	676634082	/nfs/dbraw/zinc/63/40/82/676634082.db2.gz	PYWUJSIRUCHHPN-CQSZACIVSA-N	1	0	363.549	1.586	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1	ZINC000329389227	676636729	/nfs/dbraw/zinc/63/67/29/676636729.db2.gz	UJFMGOZHSZOSQQ-ZBFHGGJFSA-N	1	0	364.515	1.484	20	30		FDEDRO
C[NH+]1CCC([C@@H]2CCN(C(=O)NC[C@@H]3CCCS(=O)(=O)C3)C2)CC1	ZINC000329401007	676637162	/nfs/dbraw/zinc/63/71/62/676637162.db2.gz	YXEBIQQOCAXPDX-GOEBONIOSA-N	1	0	357.520	1.389	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)N2CC[C@H](C(F)(F)F)[C@H](CO)C2)CCSC1	ZINC000329407922	676637622	/nfs/dbraw/zinc/63/76/22/676637622.db2.gz	CKAGIISUAPKWDB-OBJOEFQTSA-N	1	0	369.453	1.830	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1CNC(=O)CN(C)S(=O)(=O)c1cccnc1	ZINC000329516659	676642210	/nfs/dbraw/zinc/64/22/10/676642210.db2.gz	YVOJOABIVTXNNS-AWEZNQCLSA-N	1	0	354.476	1.533	20	30		FDEDRO
Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1	ZINC000329515731	676642292	/nfs/dbraw/zinc/64/22/92/676642292.db2.gz	ORAUWYAAHSQDLF-PWSUYJOCSA-N	1	0	370.475	1.565	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)N[C@@H](CO)C3CCCC3)CC2)CC1	ZINC000329542744	676643522	/nfs/dbraw/zinc/64/35/22/676643522.db2.gz	DZFAMFWBEOKISE-SFHVURJKSA-N	1	0	352.523	1.600	20	30		FDEDRO
CC(C)(C)CCN1CCN(C(=O)NC[C@H]2CCCCS2(=O)=O)CC1	ZINC000329568647	676644413	/nfs/dbraw/zinc/64/44/13/676644413.db2.gz	PODYWIIFQAMSTJ-OAHLLOKOSA-N	1	0	359.536	1.922	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCN(C(=O)N[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)CC2)CCO1	ZINC000329578566	676644814	/nfs/dbraw/zinc/64/48/14/676644814.db2.gz	PBFYUXLZUWCZSF-XLNGHYISSA-N	1	0	351.491	1.899	20	30		FDEDRO
CNS(=O)(=O)c1ccc(C)c(NC(=O)N2CC[NH+](C3CCC3)CC2)c1	ZINC000329643561	676647540	/nfs/dbraw/zinc/64/75/40/676647540.db2.gz	AHMDARRVJYKIHZ-UHFFFAOYSA-N	1	0	366.487	1.619	20	30		FDEDRO
Cc1ccnc(N2CCN(C(=O)NC[C@@H]3CCCCS3(=O)=O)CC2)c1	ZINC000329647958	676647909	/nfs/dbraw/zinc/64/79/09/676647909.db2.gz	JVXDLDXJRYMGTQ-HNNXBMFYSA-N	1	0	366.487	1.393	20	30		FDEDRO
C[NH+]1CCN(CCNC(=O)c2cc(N3CCNC3=O)ccc2Cl)CC1	ZINC000329682957	676649101	/nfs/dbraw/zinc/64/91/01/676649101.db2.gz	XOUHBNYVPZUAPX-UHFFFAOYSA-N	1	0	365.865	1.626	20	30		FDEDRO
C[C@]1(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCO[C@H]1C1CC1	ZINC000329727253	676651942	/nfs/dbraw/zinc/65/19/42/676651942.db2.gz	FCIYPYFFHNIJRS-FNHZYXHNSA-N	1	0	351.491	1.949	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCN(c3ncccc3Cl)C2)C1	ZINC000329811199	676658215	/nfs/dbraw/zinc/65/82/15/676658215.db2.gz	RHPFXEHLLGQEFP-KBPBESRZSA-N	1	0	367.881	1.538	20	30		FDEDRO
Cc1ncc(CN2CCN(C(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)s1	ZINC000329814253	676658505	/nfs/dbraw/zinc/65/85/05/676658505.db2.gz	UHOGRLJKLCUEDX-DZGCQCFKSA-N	1	0	351.520	1.966	20	30		FDEDRO
CO[C@H]1C[C@H](C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)N(S(C)(=O)=O)C1	ZINC000329835364	676659730	/nfs/dbraw/zinc/65/97/30/676659730.db2.gz	HIVZFCDLYIENID-LJISPDSOSA-N	1	0	361.508	1.112	20	30		FDEDRO
CO[C@H]1C[C@H](C(=O)NC[C@@H](C)C[NH+]2CCCCC2)N(S(C)(=O)=O)C1	ZINC000329844592	676660366	/nfs/dbraw/zinc/66/03/66/676660366.db2.gz	LIZYDNITDNJDDU-QLFBSQMISA-N	1	0	361.508	1.114	20	30		FDEDRO
C[NH+]1CCC(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)CC1	ZINC000329897661	676662997	/nfs/dbraw/zinc/66/29/97/676662997.db2.gz	DAPPXDFADFCNPB-UHFFFAOYSA-N	1	0	367.471	1.106	20	30		FDEDRO
CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)C(=O)NC[C@@H]1COCCO1	ZINC000329951940	676665361	/nfs/dbraw/zinc/66/53/61/676665361.db2.gz	MYOUMTGNIVOLTF-SOUVJXGZSA-N	1	0	371.478	1.922	20	30		FDEDRO
CNS(=O)(=O)c1ccc(NC(=O)N2CC[NH+](C3CCCC3)CC2)nc1	ZINC000330099427	676672418	/nfs/dbraw/zinc/67/24/18/676672418.db2.gz	CYVHDEADIRCGJI-UHFFFAOYSA-N	1	0	367.475	1.095	20	30		FDEDRO
CN(C(=O)NCC1([NH+](C)C)CCCCCC1)[C@H]1CCN(S(C)(=O)=O)C1	ZINC000330126214	676674431	/nfs/dbraw/zinc/67/44/31/676674431.db2.gz	BWYXZEYWOBFFJE-HNNXBMFYSA-N	1	0	374.551	1.521	20	30		FDEDRO
C[NH+](C)[C@@]1(CNC(=O)NC2CCN(C(=O)C3CC3)CC2)CCSC1	ZINC000330159448	676675822	/nfs/dbraw/zinc/67/58/22/676675822.db2.gz	QOKGIHUSXYYIOR-QGZVFWFLSA-N	1	0	354.520	1.328	20	30		FDEDRO
C[N@H+](CCO)C1CCN(C(=O)N[C@H]2CCOC3(CCSCC3)C2)CC1	ZINC000330166341	676676392	/nfs/dbraw/zinc/67/63/92/676676392.db2.gz	XUZBLEUUMHKBOT-HNNXBMFYSA-N	1	0	371.547	1.734	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CCO[C@@H](C2CC2)C1	ZINC000330186535	676677214	/nfs/dbraw/zinc/67/72/14/676677214.db2.gz	SCBJFZHUBIYUHR-FGTMMUONSA-N	1	0	351.491	1.779	20	30		FDEDRO
C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1	ZINC000330249996	676680842	/nfs/dbraw/zinc/68/08/42/676680842.db2.gz	GPJHBFMYTABNAG-ANQUJSFKSA-N	1	0	357.520	1.342	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(S(=O)(=O)NC)s2)C1	ZINC000330399232	676688855	/nfs/dbraw/zinc/68/88/55/676688855.db2.gz	CUIRQAYQZASZOJ-GFCCVEGCSA-N	1	0	374.532	1.392	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC(=O)N(C)[C@H](C)C2)[C@H](C)C1	ZINC000330397020	676688872	/nfs/dbraw/zinc/68/88/72/676688872.db2.gz	BLXOCEWZCJHZIU-OAGGEKHMSA-N	1	0	354.495	1.200	20	30		FDEDRO
CNS(=O)(=O)c1ccc(C)c(NC(=O)NCC[NH+]2CCC(C)CC2)c1	ZINC000330697084	676701133	/nfs/dbraw/zinc/70/11/33/676701133.db2.gz	CZCNWLHXGVAWIW-UHFFFAOYSA-N	1	0	368.503	1.961	20	30		FDEDRO
CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1	ZINC000330704113	676701523	/nfs/dbraw/zinc/70/15/23/676701523.db2.gz	JMLNIUUUSUVSQX-UONOGXRCSA-N	1	0	354.495	1.688	20	30		FDEDRO
C[NH+](C)C[C@@H]1CN(C(=O)Nc2cccc(CS(C)(=O)=O)c2)CCO1	ZINC000330815645	676705181	/nfs/dbraw/zinc/70/51/81/676705181.db2.gz	LSLOZXJSCALUIT-OAHLLOKOSA-N	1	0	355.460	1.039	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+](CC2CCOCC2)CC1	ZINC000330836761	676705895	/nfs/dbraw/zinc/70/58/95/676705895.db2.gz	RNJOOUGIBFYJHV-APWZRJJASA-N	1	0	350.507	1.474	20	30		FDEDRO
Cc1ccc(NC(=O)NC[C@@H](C)[NH+](C)C)cc1N1CCCS1(=O)=O	ZINC000330876848	676707753	/nfs/dbraw/zinc/70/77/53/676707753.db2.gz	VTNKZIJVPBENMF-CYBMUJFWSA-N	1	0	354.476	1.811	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O	ZINC000331158028	676719104	/nfs/dbraw/zinc/71/91/04/676719104.db2.gz	DZWDJBUVZLPIQA-KFWWJZLASA-N	1	0	360.524	1.225	20	30		FDEDRO
CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1	ZINC000331211771	676722214	/nfs/dbraw/zinc/72/22/14/676722214.db2.gz	JKTAQWFPVKWIGN-BZUAXINKSA-N	1	0	374.551	1.423	20	30		FDEDRO
CCOC(=O)c1cnc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)n1C	ZINC000331234302	676723153	/nfs/dbraw/zinc/72/31/53/676723153.db2.gz	KONCROHRNALKHH-CHWSQXEVSA-N	1	0	351.451	1.804	20	30		FDEDRO
O=C(CCN1CC[C@H]([NH+]2CCCCC2)C1)NC(=O)NCC(F)(F)F	ZINC000331248678	676723897	/nfs/dbraw/zinc/72/38/97/676723897.db2.gz	REPMLNOEEIJKDR-LBPRGKRZSA-N	1	0	350.385	1.529	20	30		FDEDRO
C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1cccc(NS(C)(=O)=O)c1	ZINC000331289368	676725851	/nfs/dbraw/zinc/72/58/51/676725851.db2.gz	NWWLRAQLHLXILY-CJNGLKHVSA-N	1	0	368.503	1.744	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)CC(C)(C)CC#N)CC1	ZINC000331325087	676727613	/nfs/dbraw/zinc/72/76/13/676727613.db2.gz	MJKROEDSZVPWLV-INIZCTEOSA-N	1	0	356.536	1.358	20	30		FDEDRO
C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)CC2(C#N)CCCCC2)CC1	ZINC000332616614	676743477	/nfs/dbraw/zinc/74/34/77/676743477.db2.gz	MZGPJOQQJHAVEV-UHFFFAOYSA-N	1	0	370.563	1.796	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH+]1CCC(CC(=O)N2CCOCC2)CC1	ZINC000360097496	676861571	/nfs/dbraw/zinc/86/15/71/676861571.db2.gz	YMHYSMJNMOIEHM-UHFFFAOYSA-N	1	0	351.491	1.372	20	30		FDEDRO
N#CC[C@@H]1C[C@H]2[C@H](CCC[C@@H]2[NH2+]CCc2ccc(S(N)(=O)=O)cc2)O1	ZINC000360792623	676875711	/nfs/dbraw/zinc/87/57/11/676875711.db2.gz	MCVKPFGAJNVCCN-BGTYHANMSA-N	1	0	363.483	1.706	20	30		FDEDRO
O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCCN1CC[NH2+]CC1	ZINC000416947062	679735658	/nfs/dbraw/zinc/73/56/58/679735658.db2.gz	OTVQRJCNISWIOR-UHFFFAOYSA-N	1	0	354.376	1.261	20	30		FDEDRO
C#CCNC(=O)C1CCN(CC(=O)N2CCC[C@@H]2c2cccs2)CC1	ZINC000368824691	677501897	/nfs/dbraw/zinc/50/18/97/677501897.db2.gz	RUCBKLSCNWRBFK-MRXNPFEDSA-N	1	0	359.495	1.873	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC(CC[NH+]2CCOCC2)CC1	ZINC000369118618	677503228	/nfs/dbraw/zinc/50/32/28/677503228.db2.gz	VVMPHZMUXQCPDV-MRXNPFEDSA-N	1	0	372.535	1.147	20	30		FDEDRO
C=CCN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccnn1C	ZINC000372078743	677839527	/nfs/dbraw/zinc/83/95/27/677839527.db2.gz	ROGYFDMUFLMEBW-KRWDZBQOSA-N	1	0	360.483	1.871	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1	ZINC000373893245	678068316	/nfs/dbraw/zinc/06/83/16/678068316.db2.gz	XCQOIYIGPTYWIU-MLHJIOFPSA-N	1	0	351.491	1.768	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1	ZINC000373934857	678069000	/nfs/dbraw/zinc/06/90/00/678069000.db2.gz	BNRTXMBMCJXIJM-HZPDHXFCSA-N	1	0	363.483	1.508	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000374460653	678082926	/nfs/dbraw/zinc/08/29/26/678082926.db2.gz	HDZLTZHOGULXOF-BZUAXINKSA-N	1	0	372.535	1.144	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1	ZINC000374582075	678087467	/nfs/dbraw/zinc/08/74/67/678087467.db2.gz	CLGZVMACOUJWAA-KBMXLJTQSA-N	1	0	351.476	1.143	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1	ZINC000374582644	678087527	/nfs/dbraw/zinc/08/75/27/678087527.db2.gz	DPFKBHIXZXYPFO-HNNXBMFYSA-N	1	0	365.503	1.709	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1c2ccccc2CC[C@@H]1[NH+](C)C	ZINC000375708660	678158624	/nfs/dbraw/zinc/15/86/24/678158624.db2.gz	WTYHHJJACANINV-COXVUDFISA-N	1	0	350.488	1.672	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1c2ccccc2CC[C@H]1[NH+](C)C	ZINC000375708661	678158715	/nfs/dbraw/zinc/15/87/15/678158715.db2.gz	WTYHHJJACANINV-KBRIMQKVSA-N	1	0	350.488	1.672	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)CC1	ZINC000376322584	678274003	/nfs/dbraw/zinc/27/40/03/678274003.db2.gz	NCEXOIBJMRDKGC-INIZCTEOSA-N	1	0	372.535	1.092	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1	ZINC000376739817	678369885	/nfs/dbraw/zinc/36/98/85/678369885.db2.gz	MSUPQEYAJOCOHZ-INIZCTEOSA-N	1	0	358.508	1.044	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)Cc3ccc(C#N)cc3)CC2)C1	ZINC000377312280	678515109	/nfs/dbraw/zinc/51/51/09/678515109.db2.gz	VLVKGZNOKGQYLS-SFHVURJKSA-N	1	0	362.499	1.100	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)CCC(C)(C)C#N)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000377883137	678642003	/nfs/dbraw/zinc/64/20/03/678642003.db2.gz	IBINGMDVCVESSO-CVEARBPZSA-N	1	0	356.536	1.214	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1cccnc1C#N	ZINC000389883061	678778070	/nfs/dbraw/zinc/77/80/70/678778070.db2.gz	PMRVUNIARGHILJ-WMLDXEAASA-N	1	0	356.451	1.752	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000408027483	678824502	/nfs/dbraw/zinc/82/45/02/678824502.db2.gz	LNFSWIHWMNXPME-CRAIPNDOSA-N	1	0	362.499	1.205	20	30		FDEDRO
CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1CCCC1(C#N)CCOCC1	ZINC000410324126	678889932	/nfs/dbraw/zinc/88/99/32/678889932.db2.gz	AAPOHFGYALOENP-MRXNPFEDSA-N	1	0	357.520	1.881	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C2)C1=O	ZINC000410388893	678892221	/nfs/dbraw/zinc/89/22/21/678892221.db2.gz	MDRXUGIRYREXBL-ZIAGYGMSSA-N	1	0	361.408	1.896	20	30		FDEDRO
COc1cccc(F)c1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000411400764	679028314	/nfs/dbraw/zinc/02/83/14/679028314.db2.gz	OPLVNZGFIPZAEG-UHFFFAOYSA-N	1	0	350.394	1.467	20	30		FDEDRO
C=CC[N@@H+](C)CCN(CC)CC(=O)N1CCN(Cc2ccsc2)CC1	ZINC000411646868	679056904	/nfs/dbraw/zinc/05/69/04/679056904.db2.gz	WMVVXSNEVZSTAJ-UHFFFAOYSA-N	1	0	364.559	1.832	20	30		FDEDRO
N#Cc1cccc(OCCC[NH+]2CCC(N3CCCS3(=O)=O)CC2)c1	ZINC000411833180	679079802	/nfs/dbraw/zinc/07/98/02/679079802.db2.gz	HLXGQUWPAAYZPC-UHFFFAOYSA-N	1	0	363.483	1.827	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c1	ZINC000424021360	680826742	/nfs/dbraw/zinc/82/67/42/680826742.db2.gz	UDHHWWBREPGOPE-ZFWWWQNUSA-N	1	0	351.472	1.208	20	30		FDEDRO
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H]([NH3+])CCCC#N)s1	ZINC000424060746	680827419	/nfs/dbraw/zinc/82/74/19/680827419.db2.gz	DGXQPBDWZLHVJO-ZDUSSCGKSA-N	1	0	372.516	1.416	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1	ZINC000424097284	680829587	/nfs/dbraw/zinc/82/95/87/680829587.db2.gz	JMBHVUMMUFKZFA-MRXNPFEDSA-N	1	0	362.861	1.574	20	30		FDEDRO
COC(=O)[C@@H]1CSCC[N@H+](CCOc2ccc(C#N)cc2OC)C1	ZINC000412078737	679151985	/nfs/dbraw/zinc/15/19/85/679151985.db2.gz	OMEFTINVNNHVAH-AWEZNQCLSA-N	1	0	350.440	1.784	20	30		FDEDRO
CC(C)CNS(=O)(=O)c1ccc(CNC(=O)[C@@H]([NH3+])CCCC#N)cc1	ZINC000424165933	680831207	/nfs/dbraw/zinc/83/12/07/680831207.db2.gz	FRPUDYWKCPDYGV-INIZCTEOSA-N	1	0	366.487	1.258	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)NCC(C)(C)CC#N)(N2CCOCC2)CC1	ZINC000413613481	679285535	/nfs/dbraw/zinc/28/55/35/679285535.db2.gz	VCUQBVXLOUKAGK-UHFFFAOYSA-N	1	0	351.495	1.022	20	30		FDEDRO
CC(C)[C@H]1CCc2c(C#N)c(NC(=O)C(=O)N3CC[NH2+]CC3)sc2C1	ZINC000415279018	679401481	/nfs/dbraw/zinc/40/14/81/679401481.db2.gz	CDHQCJKMNDHYDK-LBPRGKRZSA-N	1	0	360.483	1.751	20	30		FDEDRO
C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	ZINC000415341176	679411448	/nfs/dbraw/zinc/41/14/48/679411448.db2.gz	GOJNJAOWRIOPBM-LLVKDONJSA-N	1	0	355.423	1.441	20	30		FDEDRO
CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000415425041	679428504	/nfs/dbraw/zinc/42/85/04/679428504.db2.gz	JJNZNZZLTIHPJT-GFCCVEGCSA-N	1	0	367.247	1.749	20	30		FDEDRO
CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000415436826	679431095	/nfs/dbraw/zinc/43/10/95/679431095.db2.gz	YWOQXTNDDGEZNI-LBPRGKRZSA-N	1	0	367.247	1.749	20	30		FDEDRO
C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1	ZINC000415459704	679434387	/nfs/dbraw/zinc/43/43/87/679434387.db2.gz	MOYYYKLLLKHOAL-FZMZJTMJSA-N	1	0	358.833	2.517	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)NCC[C@H](C)[NH3+])c(C#N)cn1CCOC	ZINC000415491766	679438990	/nfs/dbraw/zinc/43/89/90/679438990.db2.gz	OPCUWPLILHVEHE-NSHDSACASA-N	1	0	351.407	1.042	20	30		FDEDRO
C[NH2+]CCN(C)C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000415542521	679448384	/nfs/dbraw/zinc/44/83/84/679448384.db2.gz	AXHBDAIGABFSJD-UHFFFAOYSA-N	1	0	358.320	1.116	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc1	ZINC000415600319	679462133	/nfs/dbraw/zinc/46/21/33/679462133.db2.gz	NQZWFFRQVWJXPC-SWLSCSKDSA-N	1	0	364.471	1.882	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000415621642	679466849	/nfs/dbraw/zinc/46/68/49/679466849.db2.gz	JZTUABQHMVHIMV-SKDRFNHKSA-N	1	0	352.341	1.212	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F	ZINC000416015908	679544661	/nfs/dbraw/zinc/54/46/61/679544661.db2.gz	WLFYDFHIHXVHNT-AWEZNQCLSA-N	1	0	358.364	1.996	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N(CC[NH+](C)C)Cc1ccsc1	ZINC000416549672	679652143	/nfs/dbraw/zinc/65/21/43/679652143.db2.gz	CWOWGXNDTOQKBD-UHFFFAOYSA-N	1	0	374.532	1.219	20	30		FDEDRO
C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@]1(COC)CCC[NH2+]1	ZINC000418658894	680105457	/nfs/dbraw/zinc/10/54/57/680105457.db2.gz	UQUSDKWJAHXBJB-SFHVURJKSA-N	1	0	351.447	1.628	20	30		FDEDRO
[NH3+]C[C@@H]1CCCN1C(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000419111317	680192415	/nfs/dbraw/zinc/19/24/15/680192415.db2.gz	IRRUUTUFCGJWRL-AWEZNQCLSA-N	1	0	353.344	1.123	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(C(=O)NCC2(C#N)CCC2)CC1	ZINC000419636776	680301958	/nfs/dbraw/zinc/30/19/58/680301958.db2.gz	HMDBLEGSMQLFTB-UHFFFAOYSA-N	1	0	352.479	1.449	20	30		FDEDRO
C=C(C)[C@@H](NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)c1ccc(F)c(F)c1	ZINC000419676791	680317153	/nfs/dbraw/zinc/31/71/53/680317153.db2.gz	MBJLAFJSPHBTMJ-CZUORRHYSA-N	1	0	351.397	1.957	20	30		FDEDRO
CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1cccc(C#N)c1Br	ZINC000419695094	680325578	/nfs/dbraw/zinc/32/55/78/680325578.db2.gz	LZTSSRBBARVTHS-UHFFFAOYSA-N	1	0	367.247	1.764	20	30		FDEDRO
C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000420410947	680441849	/nfs/dbraw/zinc/44/18/49/680441849.db2.gz	ACICKASGEDVQGV-ZJUUUORDSA-N	1	0	358.261	1.679	20	30		FDEDRO
CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000421702134	680672389	/nfs/dbraw/zinc/67/23/89/680672389.db2.gz	JLVAJIORFBGFDB-OAHLLOKOSA-N	1	0	364.471	1.045	20	30		FDEDRO
N#Cc1ccc(NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(Cl)c1	ZINC000426142916	680948902	/nfs/dbraw/zinc/94/89/02/680948902.db2.gz	XBFKDNDOPQFJSF-CYBMUJFWSA-N	1	0	363.849	1.921	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNS(=O)(=O)Cc2cc(C#N)ccc2F)CCCO1	ZINC000432331157	681153032	/nfs/dbraw/zinc/15/30/32/681153032.db2.gz	JNEYPRSBLLXQTQ-CQSZACIVSA-N	1	0	369.462	1.618	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(S(=O)(=O)CCCCC#N)CC2)CC1	ZINC000433489349	681195333	/nfs/dbraw/zinc/19/53/33/681195333.db2.gz	YNHTWJFTYPNRGJ-UHFFFAOYSA-N	1	0	356.536	1.500	20	30		FDEDRO
CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)s2)CC1	ZINC000435438493	681594074	/nfs/dbraw/zinc/59/40/74/681594074.db2.gz	ORMZZXAFWOHCJF-UHFFFAOYSA-N	1	0	357.501	1.787	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCCC[NH+]1CCN(CC)CC1	ZINC000437637544	681802894	/nfs/dbraw/zinc/80/28/94/681802894.db2.gz	QKOFKHQQJKTNBA-ROUUACIJSA-N	1	0	352.523	1.685	20	30		FDEDRO
CCOC(=O)[C@]1(COC)CCC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1	ZINC000439469219	681930160	/nfs/dbraw/zinc/93/01/60/681930160.db2.gz	MHRLCLLZSNXWLV-WMLDXEAASA-N	1	0	351.447	1.229	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(S(=O)(=O)C2CC2)cc1	ZINC000448795708	682637836	/nfs/dbraw/zinc/63/78/36/682637836.db2.gz	BQFLVGZITZEBAA-UHFFFAOYSA-N	1	0	363.483	1.930	20	30		FDEDRO
C[NH+](C)CCOCCNC(=O)COc1cccc(Br)c1C#N	ZINC000450442018	682760956	/nfs/dbraw/zinc/76/09/56/682760956.db2.gz	SATRDXDTXZGYDP-UHFFFAOYSA-N	1	0	370.247	1.394	20	30		FDEDRO
CC(C)(CC#N)CS(=O)(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000451236559	682848144	/nfs/dbraw/zinc/84/81/44/682848144.db2.gz	AEXAPUXVUPRWGC-SFHVURJKSA-N	1	0	365.499	1.483	20	30		FDEDRO
Cc1sc(NC(=O)CN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c(C#N)c1C	ZINC000451653024	682913023	/nfs/dbraw/zinc/91/30/23/682913023.db2.gz	LQTSBAJWZWLPHB-TXEJJXNPSA-N	1	0	350.488	1.562	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1	ZINC000451928906	682970221	/nfs/dbraw/zinc/97/02/21/682970221.db2.gz	PBMIAUOZWWPNLB-KRWDZBQOSA-N	1	0	364.515	1.921	20	30		FDEDRO
COC[C@]1(CO)CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000451930082	682971262	/nfs/dbraw/zinc/97/12/62/682971262.db2.gz	NCVHFZYBPROEQT-GOSISDBHSA-N	1	0	363.483	1.768	20	30		FDEDRO
COC[C@@]1(CO)CC[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000451938201	682975075	/nfs/dbraw/zinc/97/50/75/682975075.db2.gz	URMORGQGNLOQCL-YDXUJSMASA-N	1	0	351.491	1.637	20	30		FDEDRO
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@H]1CCC[N@@H+]1CCCO	ZINC000452356782	683057516	/nfs/dbraw/zinc/05/75/16/683057516.db2.gz	DKUVLVVNZQRGBH-KDOFPFPSSA-N	1	0	353.463	1.211	20	30		FDEDRO
CC[NH+](CC)CCOCCNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000453683745	683185140	/nfs/dbraw/zinc/18/51/40/683185140.db2.gz	CZAGLHKQLGMRLQ-UHFFFAOYSA-N	1	0	367.837	1.020	20	30		FDEDRO
C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3cnc(C#N)c(Cl)c3)C2)C1	ZINC000453764469	683208746	/nfs/dbraw/zinc/20/87/46/683208746.db2.gz	CTSAUXUFHGVPBB-KRWDZBQOSA-N	1	0	361.833	1.489	20	30		FDEDRO
N#Cc1ncc(NC(=O)C(=O)NCCCCC[NH+]2CCCC2)cc1Cl	ZINC000453773941	683211037	/nfs/dbraw/zinc/21/10/37/683211037.db2.gz	SRLKJZCZISILMB-UHFFFAOYSA-N	1	0	363.849	1.927	20	30		FDEDRO
CC1CC[NH+](C[C@H](O)CNC(=O)Nc2cnc(C#N)c(Cl)c2)CC1	ZINC000455778944	683499578	/nfs/dbraw/zinc/49/95/78/683499578.db2.gz	HGRAFWLSVODZOI-CYBMUJFWSA-N	1	0	351.838	1.821	20	30		FDEDRO
CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1ccc(C#N)cc1OC	ZINC000464406503	684742176	/nfs/dbraw/zinc/74/21/76/684742176.db2.gz	VNQZAHAOULDLCO-UHFFFAOYSA-N	1	0	369.487	1.546	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCOC[C@H]1C[C@H](C)O)C(C)C	ZINC000467807449	684877601	/nfs/dbraw/zinc/87/76/01/684877601.db2.gz	YEZLRXNZZDMZQP-RCCFBDPRSA-N	1	0	353.507	1.866	20	30		FDEDRO
CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCC2)cc1	ZINC000469794681	684986623	/nfs/dbraw/zinc/98/66/23/684986623.db2.gz	URRWRCPDJWKKAE-QWHCGFSZSA-N	1	0	364.471	1.196	20	30		FDEDRO
C[NH+](C)C[C@@H](O)COc1ccc(NS(=O)(=O)CC2(C#N)CCC2)cc1	ZINC000477594254	685866658	/nfs/dbraw/zinc/86/66/58/685866658.db2.gz	XGSJTYSJQMQLLW-OAHLLOKOSA-N	1	0	367.471	1.423	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1	ZINC000481003809	686278065	/nfs/dbraw/zinc/27/80/65/686278065.db2.gz	ARGJDFYWISILCI-HZPDHXFCSA-N	1	0	353.507	1.568	20	30		FDEDRO
CC#CCCNC(=O)N1CCC(C(=O)NCCC[NH+](CC)CC)CC1	ZINC000483469999	686509777	/nfs/dbraw/zinc/50/97/77/686509777.db2.gz	FCBSEYLVIVRQJI-UHFFFAOYSA-N	1	0	350.507	1.670	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl	ZINC000490502586	687145716	/nfs/dbraw/zinc/14/57/16/687145716.db2.gz	ZKEHGJJYZHEFSA-CYBMUJFWSA-N	1	0	364.833	1.377	20	30		FDEDRO
N#CC1(F)CCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1	ZINC000500128853	688042501	/nfs/dbraw/zinc/04/25/01/688042501.db2.gz	CWNJDXFKDCDDRD-JKSUJKDBSA-N	1	0	352.454	1.792	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2ccc(C#N)cc2Cl)CC1	ZINC000503701433	688379552	/nfs/dbraw/zinc/37/95/52/688379552.db2.gz	GUURKRGWLDXALB-UHFFFAOYSA-N	1	0	371.890	1.725	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)N(C)[C@H](C)CC#N)[C@H](C)C1	ZINC000510146445	689350694	/nfs/dbraw/zinc/35/06/94/689350694.db2.gz	HXFHTMQGBQJAQQ-OAGGEKHMSA-N	1	0	360.524	1.192	20	30		FDEDRO
O=C(C[N@H+](CCO)CC1CC1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000510905836	689435786	/nfs/dbraw/zinc/43/57/86/689435786.db2.gz	SOAZKHRBJAENEK-UHFFFAOYSA-N	1	0	354.372	1.877	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000511003529	689448952	/nfs/dbraw/zinc/44/89/52/689448952.db2.gz	ZSRNMSLYJHSZCQ-LBPRGKRZSA-N	1	0	352.416	1.619	20	30		FDEDRO
Cc1c(C#N)cccc1C(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1	ZINC000513835306	689705417	/nfs/dbraw/zinc/70/54/17/689705417.db2.gz	KVGRLVQERPENIP-MRXNPFEDSA-N	1	0	363.483	1.448	20	30		FDEDRO
CCOc1cccc(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)c1	ZINC000518171152	690122306	/nfs/dbraw/zinc/12/23/06/690122306.db2.gz	RGLWFCKWURDDHE-UHFFFAOYSA-N	1	0	359.451	1.958	20	30		FDEDRO
CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000518802799	690163618	/nfs/dbraw/zinc/16/36/18/690163618.db2.gz	TYBHVKHWDVOQRJ-UHFFFAOYSA-N	1	0	367.247	1.764	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCc2ccc(F)c(F)c2)nc1	ZINC000519545263	690219592	/nfs/dbraw/zinc/21/95/92/690219592.db2.gz	WOFYZUYSTFDKCS-UHFFFAOYSA-N	1	0	351.378	1.837	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)ccc1Br	ZINC000519633758	690237617	/nfs/dbraw/zinc/23/76/17/690237617.db2.gz	XCJHEUXEXMAZOF-RNCFNFMXSA-N	1	0	363.215	1.080	20	30		FDEDRO
C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C1CCN(S(C)(=O)=O)CC1	ZINC000520235202	690299582	/nfs/dbraw/zinc/29/95/82/690299582.db2.gz	SLRMPEQWZNEIMP-UHFFFAOYSA-N	1	0	352.416	1.322	20	30		FDEDRO
Cc1ccc(C(=O)NCCC[N@@H+](C)C(C)C)cc1S(=O)(=O)NCC#N	ZINC000520864722	690363673	/nfs/dbraw/zinc/36/36/73/690363673.db2.gz	KNUZKPPUVBCWFA-UHFFFAOYSA-N	1	0	366.487	1.257	20	30		FDEDRO
CC(C)C(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1	ZINC000522416052	694482844	/nfs/dbraw/zinc/48/28/44/694482844.db2.gz	UZIKOBMALAUWEG-BXWFABGCSA-N	1	0	350.507	1.914	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1NC[C@H](C)N1CC[NH+](C)CC1	ZINC000641335435	696055717	/nfs/dbraw/zinc/05/57/17/696055717.db2.gz	KKOSDQOIDSOVMZ-HNNXBMFYSA-N	1	0	352.504	1.199	20	30		FDEDRO
N#Cc1ccc(C(F)(F)N2CC(=O)NC3(CC[NH2+]CC3)C2)nc1Cl	ZINC001164389946	718808988	/nfs/dbraw/zinc/80/89/88/718808988.db2.gz	LTOCBLWWWGPDAN-UHFFFAOYSA-N	1	0	355.776	1.210	20	30		FDEDRO
N#Cc1cc(Cl)ncc1C(F)(F)N1CC(=O)NC2(CC[NH2+]CC2)C1	ZINC001164389532	718809115	/nfs/dbraw/zinc/80/91/15/718809115.db2.gz	JZCVVIJFGCCPRJ-UHFFFAOYSA-N	1	0	355.776	1.210	20	30		FDEDRO
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1nc(Cl)ccc1C#N	ZINC001164616124	719014676	/nfs/dbraw/zinc/01/46/76/719014676.db2.gz	KLGDFLYVELKISN-SRVKXCTJSA-N	1	0	370.787	1.881	20	30		FDEDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cnc(C#N)c(C#N)n1)C2	ZINC001164812409	720176266	/nfs/dbraw/zinc/17/62/66/720176266.db2.gz	ALVARBWWPWBHDD-BEFAXECRSA-N	1	0	352.442	1.405	20	30		FDEDRO
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cncc(CC#N)n2)CC1	ZINC001164823258	720333061	/nfs/dbraw/zinc/33/30/61/720333061.db2.gz	ADLHPRXOLCBUFV-ZWKOTPCHSA-N	1	0	368.485	1.454	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3cc(Cl)ncc3C#N)CC[C@H]2C1	ZINC001164851886	720836516	/nfs/dbraw/zinc/83/65/16/720836516.db2.gz	IUHOWKNAPURDPM-BBRMVZONSA-N	1	0	350.850	1.780	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)cnc3C#N)CC[C@H]2C1	ZINC001164848775	720842550	/nfs/dbraw/zinc/84/25/50/720842550.db2.gz	AZYXKNAAKCVSHB-GXTWGEPZSA-N	1	0	351.838	1.175	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3ncc4c(C#N)c[nH]c4n3)CC[C@@H]2C1	ZINC001164862176	720868482	/nfs/dbraw/zinc/86/84/82/720868482.db2.gz	ZJVYCHLLDPRIDA-CZUORRHYSA-N	1	0	356.430	1.003	20	30		FDEDRO
C=CCNC(=O)c1cccnc1N1CC[C@H]2C[N@H+](CCOC)CCO[C@H]2C1	ZINC001164854355	720874771	/nfs/dbraw/zinc/87/47/71/720874771.db2.gz	DXSFFBYTJSCMRV-WMZOPIPTSA-N	1	0	374.485	1.171	20	30		FDEDRO
Cc1cnc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)c(C#N)c1	ZINC001164751329	720946957	/nfs/dbraw/zinc/94/69/57/720946957.db2.gz	PJFMXDGMGWQBTB-UHFFFAOYSA-N	1	0	354.414	1.104	20	30		FDEDRO
Cc1nc(C#N)cnc1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2	ZINC001164897387	721428326	/nfs/dbraw/zinc/42/83/26/721428326.db2.gz	TXGYAAWNRCLXOI-ICSRJNTNSA-N	1	0	370.501	1.422	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21	ZINC001022717792	782570919	/nfs/dbraw/zinc/57/09/19/782570919.db2.gz	LGOYQXLHVFORLM-UKPHBRMFSA-N	1	0	355.442	1.044	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1	ZINC000654887614	769371370	/nfs/dbraw/zinc/37/13/70/769371370.db2.gz	NGHUALNDXOWNIE-AKAXFMLLSA-N	1	0	373.457	1.389	20	30		FDEDRO
C=CC[C@@H](CO)C[NH2+]Cc1cn(C)nc1CN1C(=O)c2ccccc2C1=O	ZINC000657426734	782794923	/nfs/dbraw/zinc/79/49/23/782794923.db2.gz	JPUDGCOIESVNDQ-CQSZACIVSA-N	1	0	368.437	1.491	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnnn2-c2ccccc2)C1	ZINC001022736698	782796985	/nfs/dbraw/zinc/79/69/85/782796985.db2.gz	ACTGIEMIQAOQHY-OHQAAIJDSA-N	1	0	367.453	1.595	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C)c1	ZINC001020561309	770533602	/nfs/dbraw/zinc/53/36/02/770533602.db2.gz	OCPZJNBBOORZBK-NONVJHHQSA-N	1	0	354.454	1.122	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)c(F)c1	ZINC001020597382	770944679	/nfs/dbraw/zinc/94/46/79/770944679.db2.gz	OATVVTPBHMHEIS-OCVGTWLNSA-N	1	0	358.417	1.336	20	30		FDEDRO
Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1	ZINC001020604126	770978819	/nfs/dbraw/zinc/97/88/19/770978819.db2.gz	YPHXDYJACJCANP-QBPKDAKJSA-N	1	0	367.428	1.971	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCc2ccc3c(c2)CCO3)C1	ZINC001020605750	770989279	/nfs/dbraw/zinc/98/92/79/770989279.db2.gz	XYRRKVQJWQPSBJ-MKXGPGLRSA-N	1	0	356.466	1.992	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C1	ZINC000969971051	771138364	/nfs/dbraw/zinc/13/83/64/771138364.db2.gz	SFBXZZGENCLCQS-NXHRZFHOSA-N	1	0	370.453	1.004	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)C1	ZINC000970016789	771204657	/nfs/dbraw/zinc/20/46/57/771204657.db2.gz	HRXNFYDOWKTLKR-ZACQAIPSSA-N	1	0	358.438	1.739	20	30		FDEDRO
CC1=C(C)C[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)CC1	ZINC001104230445	771275860	/nfs/dbraw/zinc/27/58/60/771275860.db2.gz	XNMGBGWNWBRZGQ-KZNAEPCWSA-N	1	0	360.502	1.837	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc3nonc3c2)C1	ZINC001020726136	771302922	/nfs/dbraw/zinc/30/29/22/771302922.db2.gz	AVIRKTHZPGYLKY-XSWJXKHESA-N	1	0	356.426	1.941	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2CC)CC1	ZINC000970098063	771334490	/nfs/dbraw/zinc/33/44/90/771334490.db2.gz	DILDMZZIFQVQAY-OQIJWPOYSA-N	1	0	357.498	1.580	20	30		FDEDRO
COc1cc(/C=C/C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)ccc1OCC#N	ZINC000275192193	771379309	/nfs/dbraw/zinc/37/93/09/771379309.db2.gz	FWCILWPBNPYVBK-HIFBNBFRSA-N	1	0	373.453	1.524	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cc(-c3ccn(C)n3)on2)C[C@H]1C	ZINC001104238741	771572984	/nfs/dbraw/zinc/57/29/84/771572984.db2.gz	PHHCOVDHSMFPCP-HUUCEWRRSA-N	1	0	355.442	1.786	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)c4ccncc4)[C@@H]3C2)CC1	ZINC001020943251	771613684	/nfs/dbraw/zinc/61/36/84/771613684.db2.gz	KDOIULOFFIFZIG-RBUKOAKNSA-N	1	0	366.465	1.100	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]Cc2nn(CC)nc2C)CC1	ZINC001167277929	771857551	/nfs/dbraw/zinc/85/75/51/771857551.db2.gz	YRBOPEDBYBGNKG-WBVHZDCISA-N	1	0	361.490	1.574	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1	ZINC000430417519	771872042	/nfs/dbraw/zinc/87/20/42/771872042.db2.gz	VAAPLAFWVIBBFW-SQNIBIBYSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2CC)CC1	ZINC001167285303	771985212	/nfs/dbraw/zinc/98/52/12/771985212.db2.gz	PUANMCOUGJCDDE-RRFJBIMHSA-N	1	0	364.490	1.309	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(COC)CC2)C[C@H]1C	ZINC001104417296	782971962	/nfs/dbraw/zinc/97/19/62/782971962.db2.gz	ICVOPOABLHISCP-BZUAXINKSA-N	1	0	351.491	1.178	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[NH2+]C[C@@H]2CCC)cc1	ZINC000646962535	772170297	/nfs/dbraw/zinc/17/02/97/772170297.db2.gz	QDHGMYJQSHIKPG-HNNXBMFYSA-N	1	0	351.472	1.365	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](NCc2nc(C3CC3)nn2C)C1	ZINC000970242101	772185322	/nfs/dbraw/zinc/18/53/22/772185322.db2.gz	SMLCZOGLDGGLCB-VYDXJSESSA-N	1	0	359.474	1.364	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1C[C@H](C)N(CC)C[C@@H]1C	ZINC000784965344	772198889	/nfs/dbraw/zinc/19/88/89/772198889.db2.gz	LBLCLRVUFHZLSK-KBPBESRZSA-N	1	0	361.417	1.717	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccnn2CC(C)C)C[C@H]1C	ZINC001104251579	772318858	/nfs/dbraw/zinc/31/88/58/772318858.db2.gz	RNERTNNDTTZQGU-QZTJIDSGSA-N	1	0	360.502	1.877	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC2CC2)C1)OCC	ZINC001104255346	772427931	/nfs/dbraw/zinc/42/79/31/772427931.db2.gz	JDUJFFBQWQYGMN-NUJGCVRESA-N	1	0	365.518	1.711	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C[C@@H]2O)C1	ZINC000970377010	772488522	/nfs/dbraw/zinc/48/85/22/772488522.db2.gz	DTVNBEYVFNZIQZ-ZACQAIPSSA-N	1	0	363.502	1.151	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1	ZINC001021239798	772598884	/nfs/dbraw/zinc/59/88/84/772598884.db2.gz	CBMGLKAJPAWBNS-SOUVJXGZSA-N	1	0	353.894	1.919	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)[C@H]4CCC[N@H+]4C)[C@@H]3C2)cc1	ZINC001021240916	772604329	/nfs/dbraw/zinc/60/43/29/772604329.db2.gz	QPEMNYKKQFHWKX-IPMKNSEASA-N	1	0	351.450	1.435	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCCOC)C2)CCOCC1	ZINC001104279917	772757209	/nfs/dbraw/zinc/75/72/09/772757209.db2.gz	VBWXIVCVHLJCEZ-QZTJIDSGSA-N	1	0	350.503	1.917	20	30		FDEDRO
CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)N(C)C[C@@H](C)C#N)cc1	ZINC000275636546	772890929	/nfs/dbraw/zinc/89/09/29/772890929.db2.gz	DBYLNHKJMRUVMJ-HNNXBMFYSA-N	1	0	360.458	1.964	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1nccn1C)C2	ZINC001112486188	772938946	/nfs/dbraw/zinc/93/89/46/772938946.db2.gz	DFPGQQLEESVKJZ-PXNSSMCTSA-N	1	0	358.486	1.221	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnc(C)cn1	ZINC001021386921	773126643	/nfs/dbraw/zinc/12/66/43/773126643.db2.gz	VJGSJTUHUIIZDQ-ROUSISIUSA-N	1	0	356.470	1.988	20	30		FDEDRO
C#CC1(F)CN(C(=O)C(=O)Nc2cccc(NC(=O)C[NH+](CC)CC)c2)C1	ZINC000891171454	773533712	/nfs/dbraw/zinc/53/37/12/773533712.db2.gz	UCOZONOJZCSBPS-UHFFFAOYSA-N	1	0	374.416	1.089	20	30		FDEDRO
CCN(CCC#N)C(=O)C(=O)Nc1cccc([C@@H](C)N2CCOCC2)c1	ZINC000275765640	773686598	/nfs/dbraw/zinc/68/65/98/773686598.db2.gz	VEFKGDCFULATNG-OAHLLOKOSA-N	1	0	358.442	1.780	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCc3nccn32)C[C@H]1C	ZINC001104290472	773813639	/nfs/dbraw/zinc/81/36/39/773813639.db2.gz	ABKGDXFINUSKDE-KZNAEPCWSA-N	1	0	358.486	1.485	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn(C)nc1[C@H]1CCOC1)C2	ZINC001112494516	773938147	/nfs/dbraw/zinc/93/81/47/773938147.db2.gz	SAUZAWQZOMBVHP-FTRWYGJKSA-N	1	0	358.486	1.942	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cccc3c2NC(=O)CO3)C[C@H]1C	ZINC001104298621	774069607	/nfs/dbraw/zinc/06/96/07/774069607.db2.gz	NTSJQTUILRMGRP-HUUCEWRRSA-N	1	0	355.438	1.729	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C	ZINC000891245747	774081271	/nfs/dbraw/zinc/08/12/71/774081271.db2.gz	IQBSIASOTYNXQJ-MOPGFXCFSA-N	1	0	360.502	1.942	20	30		FDEDRO
O=C(NCC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)C1N=CC=CC1=O	ZINC000255197831	774100891	/nfs/dbraw/zinc/10/08/91/774100891.db2.gz	FNDDJVODMMLJCH-ISLYRVAYSA-N	1	0	355.373	1.832	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)CC1	ZINC001021590180	774110188	/nfs/dbraw/zinc/11/01/88/774110188.db2.gz	AZRBAYZSIAMMME-RBUKOAKNSA-N	1	0	357.498	1.580	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCC2CC2)C1	ZINC001104306168	774435826	/nfs/dbraw/zinc/43/58/26/774435826.db2.gz	ONXSTZBWXYKPEZ-RLLQIKCJSA-N	1	0	361.530	1.585	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCOC(C)C)C1	ZINC001104306086	774439496	/nfs/dbraw/zinc/43/94/96/774439496.db2.gz	JWXLSDBXEGFVCL-AQNXPRMDSA-N	1	0	363.546	1.973	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c2ccccc2O1	ZINC000275917282	774502820	/nfs/dbraw/zinc/50/28/20/774502820.db2.gz	UCZCBEWTIHVETA-OAHLLOKOSA-N	1	0	358.442	1.494	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1	ZINC001211551813	783196410	/nfs/dbraw/zinc/19/64/10/783196410.db2.gz	XRPRJBAXWDNDLF-GVDBMIGSSA-N	1	0	355.438	1.342	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1	ZINC000785026532	774711234	/nfs/dbraw/zinc/71/12/34/774711234.db2.gz	GAGMBANDQOHLIN-YJBOKZPZSA-N	1	0	355.438	1.580	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1(C[NH2+]CCNC(=O)C2CC2)CC1	ZINC001167435015	774824701	/nfs/dbraw/zinc/82/47/01/774824701.db2.gz	DHSVQKXUWLUWHZ-IRXDYDNUSA-N	1	0	363.502	1.370	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C2CC2)[C@@H]2CCCCO2)CC1	ZINC000656310643	774897334	/nfs/dbraw/zinc/89/73/34/774897334.db2.gz	BVZMBNIQHSSPAM-ZWKOTPCHSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1	ZINC001021744989	774979162	/nfs/dbraw/zinc/97/91/62/774979162.db2.gz	AZFCWZXURUZQOU-OKZBNKHCSA-N	1	0	359.514	1.990	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)COCc2cc(C)on2)C[C@H]1C	ZINC001104340652	775870465	/nfs/dbraw/zinc/87/04/65/775870465.db2.gz	PVXOFDDJSFVFLQ-NVXWUHKLSA-N	1	0	365.474	1.776	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc3cc[nH]c3c2)C[C@H]1C	ZINC001104725197	790399424	/nfs/dbraw/zinc/39/94/24/790399424.db2.gz	PRGMNFJGEBBSIL-CRAIPNDOSA-N	1	0	366.465	1.605	20	30		FDEDRO
COc1nccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2ccc(C#N)[nH]2)n1	ZINC001087151362	775996375	/nfs/dbraw/zinc/99/63/75/775996375.db2.gz	KJLVZSJJCVRTSJ-CJNGLKHVSA-N	1	0	368.441	1.715	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cn3c(n2)C[C@@H](OC)CC3)C[C@H]1C	ZINC001104345373	776029505	/nfs/dbraw/zinc/02/95/05/776029505.db2.gz	FUGBTRPACFHAMB-ZACQAIPSSA-N	1	0	358.486	1.555	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CCO[C@@H]3C[N@@H+]([C@H](C)COC)C[C@@H]32)cc1	ZINC001083217369	776476028	/nfs/dbraw/zinc/47/60/28/776476028.db2.gz	VRCIFBIZLNTJDG-AYOQOUSVSA-N	1	0	358.438	1.259	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C[C@H]4C=CCC4)C[C@H]32)CC1	ZINC001021883310	776483066	/nfs/dbraw/zinc/48/30/66/776483066.db2.gz	CYAOAYDNGHLJQT-YSIASYRMSA-N	1	0	369.509	1.747	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C4CC=CC4)C[C@H]32)CC1	ZINC001021883835	776487305	/nfs/dbraw/zinc/48/73/05/776487305.db2.gz	MCNZRWGANHWYRL-RBUKOAKNSA-N	1	0	355.482	1.357	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)c4ccoc4C)C[C@H]32)CC1	ZINC001021884299	776498241	/nfs/dbraw/zinc/49/82/41/776498241.db2.gz	WBZAYOFONYSLNQ-PKOBYXMFSA-N	1	0	369.465	1.606	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C4CC5(CC5)C4)C[C@H]32)CC1	ZINC001021886645	776501490	/nfs/dbraw/zinc/50/14/90/776501490.db2.gz	KGLVJQNQXNPYHC-PKOBYXMFSA-N	1	0	369.509	1.581	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]21	ZINC001021939299	776749287	/nfs/dbraw/zinc/74/92/87/776749287.db2.gz	GVUKZPNNTBANQM-ZIFCJYIRSA-N	1	0	370.497	1.689	20	30		FDEDRO
C=C(C)C[C@@H](CO)NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1	ZINC000891404840	776908661	/nfs/dbraw/zinc/90/86/61/776908661.db2.gz	QKAMXJLMYYHUFP-AWEZNQCLSA-N	1	0	367.421	1.148	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCC1	ZINC000933300989	777040781	/nfs/dbraw/zinc/04/07/81/777040781.db2.gz	IEJZKSNHRIBGIC-UHFFFAOYSA-N	1	0	359.445	1.814	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2cn(C)c(=O)[nH]2)C1	ZINC001075422088	777251836	/nfs/dbraw/zinc/25/18/36/777251836.db2.gz	KKZPUJJCMWQXNE-NVXWUHKLSA-N	1	0	370.428	1.734	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@@H](C)C(=O)NC)C2)cc1	ZINC001112505984	777468023	/nfs/dbraw/zinc/46/80/23/777468023.db2.gz	SZQOKSQXFPJZQX-XERREHJYSA-N	1	0	353.466	1.634	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnn(C)c1-n1cccc1)C2	ZINC001112506002	777469415	/nfs/dbraw/zinc/46/94/15/777469415.db2.gz	UTNAHABRSIYTBL-JXFKEZNVSA-N	1	0	351.454	1.676	20	30		FDEDRO
C=CCc1cc(OC)cc(C[N@H+](C)CCN2CCCS2(=O)=O)c1O	ZINC000754735862	777592968	/nfs/dbraw/zinc/59/29/68/777592968.db2.gz	FPVCUPAGEGOALP-UHFFFAOYSA-N	1	0	354.472	1.597	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N(C)[C@@H]3CC[N@@H+](C)C[C@H]3C)CC2)o1	ZINC000276534831	778027274	/nfs/dbraw/zinc/02/72/74/778027274.db2.gz	FJWDAEYEXUNQTO-CXAGYDPISA-N	1	0	359.474	1.870	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3csc(-c4nc[nH]n4)n3)[C@H]2C1	ZINC001083222476	778100552	/nfs/dbraw/zinc/10/05/52/778100552.db2.gz	VSPSGSJHTCMECL-QWHCGFSZSA-N	1	0	360.443	1.030	20	30		FDEDRO
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C	ZINC000276550160	778117575	/nfs/dbraw/zinc/11/75/75/778117575.db2.gz	ZAQQYBSUSTUQMB-QGZVFWFLSA-N	1	0	372.513	1.839	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3nnc(C)n3c2)C[C@H]1C	ZINC001104372237	778267175	/nfs/dbraw/zinc/26/71/75/778267175.db2.gz	VJJWAGJUCJXMQZ-NVXWUHKLSA-N	1	0	371.485	1.928	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]3C2)nc1	ZINC001022223239	778708271	/nfs/dbraw/zinc/70/82/71/778708271.db2.gz	NKRAQDZVKCXWDC-RYQLBKOJSA-N	1	0	354.454	1.076	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1	ZINC001112506825	778714082	/nfs/dbraw/zinc/71/40/82/778714082.db2.gz	HUECGXSMYPCFQM-YJBOKZPZSA-N	1	0	356.532	1.852	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1	ZINC000971707259	778768098	/nfs/dbraw/zinc/76/80/98/778768098.db2.gz	FZPISFGMUHJZJJ-DJIMGWMZSA-N	1	0	355.442	1.044	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]([N@H+](C)Cc3ccc(C#N)cc3)C2)O1	ZINC000971782493	779073590	/nfs/dbraw/zinc/07/35/90/779073590.db2.gz	WXEZTHCDBGBGIJ-AYOQOUSVSA-N	1	0	356.470	1.310	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@H]32)nc1	ZINC001022294478	779196512	/nfs/dbraw/zinc/19/65/12/779196512.db2.gz	IENKGGKCWVAVHE-NOCIGQNYSA-N	1	0	366.465	1.076	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)C[C@@H]4CC[N@@H+](C)C4)C[C@H]32)cn1	ZINC001022294493	779197430	/nfs/dbraw/zinc/19/74/30/779197430.db2.gz	IZGYCTMFJWSSOY-VDZJLULYSA-N	1	0	366.465	1.078	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)COCC)C[C@H]2c2ccccc2)C1=O	ZINC001211524278	779297711	/nfs/dbraw/zinc/29/77/11/779297711.db2.gz	DBFAWGOUXUDWDH-IPMKNSEASA-N	1	0	371.481	1.394	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1	ZINC000891767979	779325683	/nfs/dbraw/zinc/32/56/83/779325683.db2.gz	TYDDURJHKSNYHN-NVXWUHKLSA-N	1	0	371.547	1.916	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](Cc2ccccc2O[C@H](C)C(=O)OC)CC1	ZINC000891783487	779394397	/nfs/dbraw/zinc/39/43/97/779394397.db2.gz	HFWAFTCGQPESLJ-OAHLLOKOSA-N	1	0	358.438	1.588	20	30		FDEDRO
C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NCC(C)(C)C#N)cc1	ZINC000510677579	779526785	/nfs/dbraw/zinc/52/67/85/779526785.db2.gz	AOVVJDQIPVKAID-UHFFFAOYSA-N	1	0	359.430	1.181	20	30		FDEDRO
CC[N@@H+]1CCc2c(cccc2-n2nnc(C(=O)NC3=NO[C@H](C)C3)c2C)C1	ZINC000376802424	790730236	/nfs/dbraw/zinc/73/02/36/790730236.db2.gz	AZDIFSZTXVENHS-GFCCVEGCSA-N	1	0	368.441	1.806	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)N3CCO[C@@](C)(C#N)C3)cn2)CC1	ZINC000891863158	779833227	/nfs/dbraw/zinc/83/32/27/779833227.db2.gz	ZAJBGHIYBZCTIP-IBGZPJMESA-N	1	0	372.473	1.048	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCCCC#N)cc(N2CC[NH+](C(C)C)CC2)c1	ZINC000276925233	780144316	/nfs/dbraw/zinc/14/43/16/780144316.db2.gz	HWRIYFANJKQFOC-UHFFFAOYSA-N	1	0	371.485	1.884	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccoc2)C[C@H]1c1ccccc1	ZINC001211528183	780290344	/nfs/dbraw/zinc/29/03/44/780290344.db2.gz	MACXRNHVVSXHTH-ZWKOTPCHSA-N	1	0	351.406	1.227	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)C1	ZINC001022453423	780326525	/nfs/dbraw/zinc/32/65/25/780326525.db2.gz	ALNRDLGEPIVUGR-IPMKNSEASA-N	1	0	357.498	1.581	20	30		FDEDRO
Cn1nccc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2C#N)C1	ZINC001022471493	780485336	/nfs/dbraw/zinc/48/53/36/780485336.db2.gz	GHOWWXWYOLKGGQ-XMTFNYHQSA-N	1	0	367.428	1.971	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(N4CCCC4)c3)[C@H]2C1	ZINC001083230633	780539410	/nfs/dbraw/zinc/53/94/10/780539410.db2.gz	JJWFNCJUKXGFTL-VQTJNVASSA-N	1	0	353.466	1.835	20	30		FDEDRO
C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1	ZINC001022475862	780559538	/nfs/dbraw/zinc/55/95/38/780559538.db2.gz	MQYMMXBWDVCSLW-PDWCTOEPSA-N	1	0	359.264	1.183	20	30		FDEDRO
C[C@H](CC(N)=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001112509020	781039208	/nfs/dbraw/zinc/03/92/08/781039208.db2.gz	GPACERUQWSIHAD-YWMUFLPLSA-N	1	0	368.481	1.788	20	30		FDEDRO
N#Cc1ccc(F)cc1CN1C[C@H]2OCCN(C(=O)Cc3ncc[nH]3)[C@H]2C1	ZINC001083234243	781194426	/nfs/dbraw/zinc/19/44/26/781194426.db2.gz	UQYOEQAMYHXOFL-DLBZAZTESA-N	1	0	369.400	1.075	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]21	ZINC001022569859	781201041	/nfs/dbraw/zinc/20/10/41/781201041.db2.gz	QMEBNGCCIPJDQE-YQQAZPJKSA-N	1	0	360.502	1.858	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C)nc4c3cnn4C)[C@H]2C1	ZINC001083234946	781317108	/nfs/dbraw/zinc/31/71/08/781317108.db2.gz	DVUALULOKZIMSU-DLBZAZTESA-N	1	0	355.442	1.378	20	30		FDEDRO
CNS(=O)(=O)Cc1ccc2c(c1)c(CC[NH3+])cn2-c1cc(C#N)ccn1	ZINC001167524832	781783835	/nfs/dbraw/zinc/78/38/35/781783835.db2.gz	QKRHYFIOADGSKZ-UHFFFAOYSA-N	1	0	369.450	1.448	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccccc2OCC(N)=O)C[C@H]1C	ZINC001104400430	781817432	/nfs/dbraw/zinc/81/74/32/781817432.db2.gz	GATUKPLRESROMP-HZPDHXFCSA-N	1	0	357.454	1.262	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+][C@@H]2CCC(=O)NC2=O)cc1	ZINC001087197239	781840304	/nfs/dbraw/zinc/84/03/04/781840304.db2.gz	FIWCMNSNINCGSU-FHLIZLRMSA-N	1	0	367.449	1.303	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)CC1	ZINC001075454065	783475685	/nfs/dbraw/zinc/47/56/85/783475685.db2.gz	KLEOQPVPPGWJTH-QWFCFKBJSA-N	1	0	361.530	1.679	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[NH2+]C23CCCC3)c1	ZINC000648207000	783714654	/nfs/dbraw/zinc/71/46/54/783714654.db2.gz	RESVSRBZUGGBGG-INIZCTEOSA-N	1	0	363.483	1.555	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@H+]3CCC)C2)CC1	ZINC001024120427	783756688	/nfs/dbraw/zinc/75/66/88/783756688.db2.gz	CKUDMPRFLCAEHN-FGTMMUONSA-N	1	0	363.502	1.295	20	30		FDEDRO
C=CCOCCC[NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000658210849	783761488	/nfs/dbraw/zinc/76/14/88/783761488.db2.gz	XGFRWBCKAZWPTL-INIZCTEOSA-N	1	0	368.499	1.951	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1	ZINC001024137669	783825462	/nfs/dbraw/zinc/82/54/62/783825462.db2.gz	WFUZHOFRIYKIGJ-RBSFLKMASA-N	1	0	371.909	1.327	20	30		FDEDRO
C=CCN(C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@H](C)COC	ZINC000658375925	783954476	/nfs/dbraw/zinc/95/44/76/783954476.db2.gz	NJRAZGAZPQPMDO-CQSZACIVSA-N	1	0	363.462	1.138	20	30		FDEDRO
N#CCOc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1	ZINC001024158520	784038888	/nfs/dbraw/zinc/03/88/88/784038888.db2.gz	UZKXKHDMUIEYCH-JQHSSLGASA-N	1	0	370.453	1.039	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCS(N)(=O)=O)C2	ZINC001112520486	784242125	/nfs/dbraw/zinc/24/21/25/784242125.db2.gz	HDMZTRRBYHWTCS-RYRKJORJSA-N	1	0	371.547	1.628	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)C1	ZINC000658539295	784246376	/nfs/dbraw/zinc/24/63/76/784246376.db2.gz	VHYGYSDTGVRNDX-MRXNPFEDSA-N	1	0	372.469	1.554	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2cnnn2C)C1	ZINC001024192077	784289622	/nfs/dbraw/zinc/28/96/22/784289622.db2.gz	LWXHGHICRODJOR-NJAFHUGGSA-N	1	0	361.490	1.515	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2nnc(CC)o2)C1	ZINC001024196393	784307950	/nfs/dbraw/zinc/30/79/50/784307950.db2.gz	SKQXMCIVOYLWIG-MPGHIAIKSA-N	1	0	362.474	1.941	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)Nc1ccnn1C1CC[NH+](CC)CC1	ZINC000658615939	784672135	/nfs/dbraw/zinc/67/21/35/784672135.db2.gz	PNQLNFCOPOQYOP-UHFFFAOYSA-N	1	0	363.462	1.187	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(C#N)c2)C1	ZINC001024445509	784674067	/nfs/dbraw/zinc/67/40/67/784674067.db2.gz	OHZVZDSMCIAAHC-ATZDWAIDSA-N	1	0	368.481	1.944	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(c3snc(Cl)c3C#N)C2)CC[N@@H+]1C	ZINC001058580418	784825022	/nfs/dbraw/zinc/82/50/22/784825022.db2.gz	NPVUQYSVGPOKPW-GMTAPVOTSA-N	1	0	353.879	1.703	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)N2CCN(CC(C)(C)O)C[C@H]2C)C1	ZINC000658698612	784898585	/nfs/dbraw/zinc/89/85/85/784898585.db2.gz	FGUYBPRVIYQEFU-CVEARBPZSA-N	1	0	351.491	1.105	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCCC(=O)N2)C[C@H]1c1ccccc1	ZINC001211631827	784909671	/nfs/dbraw/zinc/90/96/71/784909671.db2.gz	QNVRIZIUTCDVSY-CEXWTWQISA-N	1	0	353.466	1.653	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@H]1c1ccccc1	ZINC001211631921	784928979	/nfs/dbraw/zinc/92/89/79/784928979.db2.gz	WEOINUKSKNIWQY-GBESFXJTSA-N	1	0	368.481	1.385	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N3C4CCC3(C[NH3+])CC4)CC2)c(F)c1	ZINC000892476763	784960604	/nfs/dbraw/zinc/96/06/04/784960604.db2.gz	JBUKEZYIPJAVHA-UHFFFAOYSA-N	1	0	357.433	1.895	20	30		FDEDRO
C[C@@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H](C)[NH+]1CCO	ZINC000364821160	785192542	/nfs/dbraw/zinc/19/25/42/785192542.db2.gz	KMUJDFBJBSNNDD-HZPDHXFCSA-N	1	0	353.470	1.846	20	30		FDEDRO
CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)S(=O)(=O)c1cccnc1C#N	ZINC000375955042	785367993	/nfs/dbraw/zinc/36/79/93/785367993.db2.gz	PYFGKNJXENASGQ-YJBOKZPZSA-N	1	0	371.466	1.662	20	30		FDEDRO
CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1	ZINC000375970135	785408888	/nfs/dbraw/zinc/40/88/88/785408888.db2.gz	UMBGBQWTUBCPRA-WMZOPIPTSA-N	1	0	367.453	1.896	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1=O	ZINC000375989572	785464237	/nfs/dbraw/zinc/46/42/37/785464237.db2.gz	SDNQNIJYQHHTEX-RTBURBONSA-N	1	0	370.497	1.937	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc3c([nH]2)CCC3)C1	ZINC001111935988	785644966	/nfs/dbraw/zinc/64/49/66/785644966.db2.gz	ZVOWMPIYLGFZTR-ZJTDPSCFSA-N	1	0	370.497	1.778	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCC(=O)N(CCC#N)CCC#N	ZINC000376053086	785692801	/nfs/dbraw/zinc/69/28/01/785692801.db2.gz	CTKCGCZPMOYPTE-KZNAEPCWSA-N	1	0	361.490	1.121	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)[C@H]2C1	ZINC001083271465	785815962	/nfs/dbraw/zinc/81/59/62/785815962.db2.gz	KIJKRZRYQQVDJZ-RYQLBKOJSA-N	1	0	361.486	1.265	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1	ZINC000978668794	805653040	/nfs/dbraw/zinc/65/30/40/805653040.db2.gz	QWMHAWIMOLVCTH-ADHGMGHFSA-N	1	0	363.502	1.463	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC23CCC3)C[C@H]1c1ccccc1	ZINC001211682359	805667581	/nfs/dbraw/zinc/66/75/81/805667581.db2.gz	WAOLYCPXXKOFGH-IPMKNSEASA-N	1	0	365.477	1.510	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(Cc3cn(C(C)C)nn3)C[C@H]21	ZINC000978718381	805693499	/nfs/dbraw/zinc/69/34/99/805693499.db2.gz	OHRNHVUNCDDYAR-DZVNLGKHSA-N	1	0	359.474	1.244	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccnc(N(C)C)c3)C[C@H]21	ZINC000978721327	805697158	/nfs/dbraw/zinc/69/71/58/805697158.db2.gz	SSDPLGKMBXGPEV-QQXKLLMISA-N	1	0	370.497	1.533	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCc3csc(C)n3)C[C@H]21	ZINC000978721369	805697401	/nfs/dbraw/zinc/69/74/01/805697401.db2.gz	SWTQWFBDAHFTHZ-DZVNLGKHSA-N	1	0	361.511	1.879	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[C@@H](C)O3)[C@@H]2C1	ZINC000978715763	805706802	/nfs/dbraw/zinc/70/68/02/805706802.db2.gz	FYVSRHLAPFHRIU-MFARTGTESA-N	1	0	369.465	1.928	20	30		FDEDRO
Cc1cc[nH+]c(NC[C@@H]2CCN(c3cc(S(N)(=O)=O)ccc3C#N)C2)c1	ZINC000376202350	786753642	/nfs/dbraw/zinc/75/36/42/786753642.db2.gz	ZSJSHTXMMWVODR-AWEZNQCLSA-N	1	0	371.466	1.848	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(N)=O)C1	ZINC001211639820	787187667	/nfs/dbraw/zinc/18/76/67/787187667.db2.gz	ILNMVLSBMBNWRO-SQGPQFPESA-N	1	0	359.470	1.285	20	30		FDEDRO
CCC1(CNC(=O)NCC(=O)NCC#N)CC[NH+](Cc2ccccc2)CC1	ZINC000376299113	787188733	/nfs/dbraw/zinc/18/87/33/787188733.db2.gz	FYPDAXNUBJMXBU-UHFFFAOYSA-N	1	0	371.485	1.618	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1	ZINC000376328608	787306838	/nfs/dbraw/zinc/30/68/38/787306838.db2.gz	UGBXEFZFYWLONI-QGZVFWFLSA-N	1	0	363.506	1.616	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4ccsc4)[C@@H]3C2)C1=O	ZINC001075511483	787393295	/nfs/dbraw/zinc/39/32/95/787393295.db2.gz	HURYYUAVOIUMRJ-GVDBMIGSSA-N	1	0	359.495	1.610	20	30		FDEDRO
C[C@H](O)CC[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000245883688	805792222	/nfs/dbraw/zinc/79/22/22/805792222.db2.gz	OAYABDALDWLKSK-MAUKXSAKSA-N	1	0	362.449	1.237	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1c1ccccc1	ZINC001211640430	787525080	/nfs/dbraw/zinc/52/50/80/787525080.db2.gz	VLWBXCGQCUYZDM-RBUKOAKNSA-N	1	0	350.466	1.960	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cnc(C)cn3)C[C@H]21	ZINC000978842571	805810016	/nfs/dbraw/zinc/81/00/16/805810016.db2.gz	QIPDUJWVYLOIRW-FKSLSLAPSA-N	1	0	356.470	1.560	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC[C@@H]([NH3+])C(C)C)cc1	ZINC000658986221	787721811	/nfs/dbraw/zinc/72/18/11/787721811.db2.gz	YNYWXUMZIWGPNR-MRXNPFEDSA-N	1	0	368.503	1.988	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)n1	ZINC000376432718	787762882	/nfs/dbraw/zinc/76/28/82/787762882.db2.gz	FWRTTYIVIBHVQT-YLJYHZDGSA-N	1	0	364.453	1.568	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(n2cc(C[NH2+]CC(C)C)nn2)C1	ZINC001105340812	805821813	/nfs/dbraw/zinc/82/18/13/805821813.db2.gz	QTBKKVFFYLNQDB-ROUUACIJSA-N	1	0	361.490	1.778	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC(=O)N(C)[C@@H]3c3cccnc3)[C@@H]2C1	ZINC000978847681	805825954	/nfs/dbraw/zinc/82/59/54/805825954.db2.gz	MEAZLLZAYJFMRU-KVIJGQROSA-N	1	0	368.481	1.471	20	30		FDEDRO
CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC(=O)NCC#N	ZINC000376454401	787861850	/nfs/dbraw/zinc/86/18/50/787861850.db2.gz	KOZBTQHUIQGYOL-INIZCTEOSA-N	1	0	357.458	1.226	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCNC(C)=O)C1	ZINC001104563190	787920610	/nfs/dbraw/zinc/92/06/10/787920610.db2.gz	JQUCSLFCBIWGCX-YQVWRLOYSA-N	1	0	367.534	1.816	20	30		FDEDRO
[NH3+]CC12CC(C1)CN2C(=O)C(=O)Nc1ccccc1C#Cc1ccccc1	ZINC000659100698	788022582	/nfs/dbraw/zinc/02/25/82/788022582.db2.gz	ZHHICQQCBUMDRO-UHFFFAOYSA-N	1	0	359.429	1.975	20	30		FDEDRO
O=C(NCC12CC(C1)C[NH2+]2)C(=O)Nc1cccc(C#Cc2ccccc2)c1	ZINC000659105350	788024064	/nfs/dbraw/zinc/02/40/64/788024064.db2.gz	GBHRKNDONIQUKY-UHFFFAOYSA-N	1	0	359.429	1.893	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1	ZINC000973267719	788459296	/nfs/dbraw/zinc/45/92/96/788459296.db2.gz	XJMZQPNCTOCPTB-TXTZMMAHSA-N	1	0	363.502	1.605	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2nc(Cl)cs2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104582993	788712848	/nfs/dbraw/zinc/71/28/48/788712848.db2.gz	GWRNYWZHEQDTRE-GHMZBOCLSA-N	1	0	369.878	1.124	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCOCC2)C1	ZINC001104606954	788848517	/nfs/dbraw/zinc/84/85/17/788848517.db2.gz	IQRXHVADWGRIJI-IAGOWNOFSA-N	1	0	351.491	1.276	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)Cc3c(C)nn(C)c3C)[C@H]2C1	ZINC001083280521	789003503	/nfs/dbraw/zinc/00/35/03/789003503.db2.gz	VOIXQWRCPJEZAI-MDASCCDHSA-N	1	0	358.486	1.150	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1	ZINC000973516885	789289793	/nfs/dbraw/zinc/28/97/93/789289793.db2.gz	IIIGSHLQDXHOMY-TXTZMMAHSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)Cc2ccnc(OC)c2)C[C@H]1C	ZINC001104681683	789346356	/nfs/dbraw/zinc/34/63/56/789346356.db2.gz	NEMIQGVTZZNALL-SJLPKXTDSA-N	1	0	361.486	1.910	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1	ZINC000659674188	789453213	/nfs/dbraw/zinc/45/32/13/789453213.db2.gz	QXFOFTNTUKWDBT-KSZLIROESA-N	1	0	363.502	1.322	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccco2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104708354	789580023	/nfs/dbraw/zinc/58/00/23/789580023.db2.gz	SMJZYMCBDPNYIZ-KLHDSHLOSA-N	1	0	358.442	1.097	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc3c(c2)CCO3)C[C@H]1C	ZINC001104711666	789650371	/nfs/dbraw/zinc/65/03/71/789650371.db2.gz	WHLWCDVQWHEAGW-CRAIPNDOSA-N	1	0	371.481	1.612	20	30		FDEDRO
C[C@@]1(C#N)CN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CCO1	ZINC000892773183	791194333	/nfs/dbraw/zinc/19/43/33/791194333.db2.gz	XDIBCJQLGURZPH-UYAOXDASSA-N	1	0	356.470	1.875	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCOC[C@@H]2C[C@@H]2CCOC2)CC1	ZINC000892851534	791454480	/nfs/dbraw/zinc/45/44/80/791454480.db2.gz	LISXVFAZUCADSY-WMZOPIPTSA-N	1	0	351.491	1.864	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CCN1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO	ZINC000377317967	791530453	/nfs/dbraw/zinc/53/04/53/791530453.db2.gz	SOJZVOHTKBWMDP-QZTJIDSGSA-N	1	0	356.470	1.808	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CCN(CCO)[C@H]2CCc3ccccc32)nc1	ZINC000290278895	791546969	/nfs/dbraw/zinc/54/69/69/791546969.db2.gz	MAGXLOSUKVUJEC-SFHVURJKSA-N	1	0	371.462	1.709	20	30		FDEDRO
COC1CC[NH+](C2(CNC(=O)N3CCO[C@@](C)(C#N)C3)CCCC2)CC1	ZINC000892886319	791556695	/nfs/dbraw/zinc/55/66/95/791556695.db2.gz	QSTQKAOYFDVVEN-SFHVURJKSA-N	1	0	364.490	1.734	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2	ZINC000415200884	791633286	/nfs/dbraw/zinc/63/32/86/791633286.db2.gz	CCAMDQWLKFCTFR-SUMWQHHRSA-N	1	0	359.426	1.205	20	30		FDEDRO
N#Cc1ccc(N2CCC3(C[C@H]3NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC2)cn1	ZINC001058655740	791700500	/nfs/dbraw/zinc/70/05/00/791700500.db2.gz	JAEBLVQXUQRPPV-JFIYKMOQSA-N	1	0	362.437	1.955	20	30		FDEDRO
Cn1cnc2c(c1=O)CCN(C(=O)NC[C@H](c1ccccc1)[NH+](C)C)C2	ZINC000330112018	791913382	/nfs/dbraw/zinc/91/33/82/791913382.db2.gz	RODJPRCZDFMIFM-QGZVFWFLSA-N	1	0	355.442	1.355	20	30		FDEDRO
NC(=O)C[C@@H]1CC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000377507592	792021643	/nfs/dbraw/zinc/02/16/43/792021643.db2.gz	ZCGDQTJXTIAGSN-AWEZNQCLSA-N	1	0	367.371	1.370	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1=O	ZINC001025794265	792065363	/nfs/dbraw/zinc/06/53/63/792065363.db2.gz	AMVLKFVCTPCOIR-OXODIDRGSA-N	1	0	359.514	1.892	20	30		FDEDRO
Cc1cc(CONC(N)=C2C(=[NH2+])C3(CCCC3)N(C)C2=O)ccc1C#N	ZINC000783030744	792068294	/nfs/dbraw/zinc/06/82/94/792068294.db2.gz	YVUPTNLXZYXMQS-UHFFFAOYSA-N	1	0	353.426	1.863	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2Cc3ccccc3CO2)CC1	ZINC000636676296	806125226	/nfs/dbraw/zinc/12/52/26/806125226.db2.gz	GKSROHQBIMMQSX-IBGZPJMESA-N	1	0	371.481	1.401	20	30		FDEDRO
C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N	ZINC000415414639	792220444	/nfs/dbraw/zinc/22/04/44/792220444.db2.gz	KAJIGWQFZDHKKF-ZDUSSCGKSA-N	1	0	367.409	1.656	20	30		FDEDRO
C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	ZINC000415416383	792226233	/nfs/dbraw/zinc/22/62/33/792226233.db2.gz	SONKYSFIVXHUSU-ZDUSSCGKSA-N	1	0	367.409	1.656	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C	ZINC001019771006	792289999	/nfs/dbraw/zinc/28/99/99/792289999.db2.gz	TWTOXBPKWCBZOP-TVFCKZIOSA-N	1	0	365.518	1.757	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)N2CCC[C@@H]([NH3+])C2)c(C#N)cn1CCOC	ZINC000415492438	792379680	/nfs/dbraw/zinc/37/96/80/792379680.db2.gz	PAWCRAVIAWTSBL-CYBMUJFWSA-N	1	0	363.418	1.138	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC#C[C@H]2CCCCO2)[C@H](C)C1	ZINC000893050962	792646883	/nfs/dbraw/zinc/64/68/83/792646883.db2.gz	PLDQMWBQRASLRI-QRVBRYPASA-N	1	0	365.518	1.995	20	30		FDEDRO
Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CNC(=O)c1ccc(C#N)nc1	ZINC000377734224	792672896	/nfs/dbraw/zinc/67/28/96/792672896.db2.gz	HTGUZBTZYKOMEY-UHFFFAOYSA-N	1	0	367.457	1.067	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)ccc1OC(F)(F)F	ZINC000415658067	792755937	/nfs/dbraw/zinc/75/59/37/792755937.db2.gz	UZIPCVWFTQJQJV-MNOVXSKESA-N	1	0	370.331	1.781	20	30		FDEDRO
C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1	ZINC000415660282	792767701	/nfs/dbraw/zinc/76/77/01/792767701.db2.gz	SRQQPGKADPBFLX-LBPRGKRZSA-N	1	0	368.441	1.443	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1	ZINC000415746665	792920548	/nfs/dbraw/zinc/92/05/48/792920548.db2.gz	NVTNJVRLILLOSQ-GJZGRUSLSA-N	1	0	356.426	1.352	20	30		FDEDRO
C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	ZINC000415748153	792921447	/nfs/dbraw/zinc/92/14/47/792921447.db2.gz	QMWOJTUUHNIAFS-SJCJKPOMSA-N	1	0	365.393	1.632	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1C#N	ZINC000415810100	793036639	/nfs/dbraw/zinc/03/66/39/793036639.db2.gz	NROGIXHUWAJTLD-ZFWWWQNUSA-N	1	0	358.442	1.918	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc1	ZINC000415840756	793117211	/nfs/dbraw/zinc/11/72/11/793117211.db2.gz	GJGZKCQDCZMKBF-UONOGXRCSA-N	1	0	373.457	1.376	20	30		FDEDRO
C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3ccccc3F)C2)nn1	ZINC001105342611	806216131	/nfs/dbraw/zinc/21/61/31/806216131.db2.gz	NJYWNPNPDANFSV-ZWKOTPCHSA-N	1	0	367.428	1.717	20	30		FDEDRO
CCc1ccccc1[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(C#N)c(C)n1	ZINC000415842358	793159277	/nfs/dbraw/zinc/15/92/77/793159277.db2.gz	OYELEAUOKVXCFK-INIZCTEOSA-N	1	0	351.410	1.579	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CCc2ccco2)C[C@H]1C(F)(F)F	ZINC001112043577	793211509	/nfs/dbraw/zinc/21/15/09/793211509.db2.gz	DDWILAPQKWTIBH-HUUCEWRRSA-N	1	0	358.360	1.841	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1	ZINC000415882724	793287526	/nfs/dbraw/zinc/28/75/26/793287526.db2.gz	YCXDXNPSIVENTR-FUHWJXTLSA-N	1	0	370.453	1.550	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1	ZINC000415897767	793341898	/nfs/dbraw/zinc/34/18/98/793341898.db2.gz	SHJAYDBIYKRYKQ-ILXRZTDVSA-N	1	0	372.494	1.945	20	30		FDEDRO
C=CC[C@@H](CO)CNC(=O)Nc1ccccc1OCCN1CC[NH2+]CC1	ZINC000416028912	793510979	/nfs/dbraw/zinc/51/09/79/793510979.db2.gz	MXRAYKMOTHBPFN-MRXNPFEDSA-N	1	0	362.474	1.277	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cscn3)C2)nn1	ZINC001104769085	793553669	/nfs/dbraw/zinc/55/36/69/793553669.db2.gz	BZBWKNUYZMGWNO-ZIAGYGMSSA-N	1	0	360.487	1.809	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccnn2C2CCOCC2)C[C@H]1C	ZINC001104775539	793585468	/nfs/dbraw/zinc/58/54/68/793585468.db2.gz	IDZUTHSUOXLKLZ-IAGOWNOFSA-N	1	0	358.486	1.946	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccnn2C)C1	ZINC001104782895	793634393	/nfs/dbraw/zinc/63/43/93/793634393.db2.gz	ZASWFGLVHYATKP-FPAYPSAMSA-N	1	0	360.502	1.976	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCCO2)C[C@H]1C(F)(F)F	ZINC001112050010	793659865	/nfs/dbraw/zinc/65/98/65/793659865.db2.gz	MYERQVNCVWLUOZ-RBSFLKMASA-N	1	0	362.392	1.574	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@H]1CC[NH2+]Cc1ccccc1C#N	ZINC001104786858	793661404	/nfs/dbraw/zinc/66/14/04/793661404.db2.gz	UOXAKDAJOFZJMA-LZQZEXGQSA-N	1	0	368.481	1.801	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3nncn3c2)C[C@H]1C	ZINC001104789619	793697231	/nfs/dbraw/zinc/69/72/31/793697231.db2.gz	FHFSBZFXGJDTRG-HZPDHXFCSA-N	1	0	357.458	1.620	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnon2)C[C@H]1CC[NH2+]Cc1cc(C#N)ccc1F	ZINC001104817936	793893566	/nfs/dbraw/zinc/89/35/66/793893566.db2.gz	DNCDDRCTVGHBOT-TZMCWYRMSA-N	1	0	357.389	1.968	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2NC(=O)c3ccccc32)C[C@H]1C	ZINC001104820676	793897442	/nfs/dbraw/zinc/89/74/42/793897442.db2.gz	HWFRAQFOMDXGJP-GPMSIDNRSA-N	1	0	353.466	1.959	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2NC(=O)c3ccccc32)C[C@H]1C	ZINC001104820794	793898106	/nfs/dbraw/zinc/89/81/06/793898106.db2.gz	KPUGZEZVLZXAQO-MDZRGWNJSA-N	1	0	353.466	1.959	20	30		FDEDRO
Cc1nn(C)c(C)c1[C@H]1[C@H](NC(=O)CC2CC[NH+](C)CC2)CC(=O)N1C	ZINC000330189242	793930072	/nfs/dbraw/zinc/93/00/72/793930072.db2.gz	VDMAMJZUQDCSDN-DNVCBOLYSA-N	1	0	361.490	1.997	20	30		FDEDRO
C[C@H]1CN(CC(=O)Nc2cccc(C#N)c2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000378320132	793949946	/nfs/dbraw/zinc/94/99/46/793949946.db2.gz	PAJUIEJPEUDJJF-LPHOPBHVSA-N	1	0	355.486	1.455	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2coc(COC)n2)C[C@H]1C	ZINC001104851933	794069186	/nfs/dbraw/zinc/06/91/86/794069186.db2.gz	FJCOERBNFJTQRQ-HUUCEWRRSA-N	1	0	351.447	1.711	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2nnn(C(C)C)c2C)C[C@H]1C	ZINC001104849764	794072146	/nfs/dbraw/zinc/07/21/46/794072146.db2.gz	FTTVVMNEUDEWEQ-NVXWUHKLSA-N	1	0	361.490	1.505	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1	ZINC000893223595	794081993	/nfs/dbraw/zinc/08/19/93/794081993.db2.gz	JJJKIJSYRSPSAH-GOSISDBHSA-N	1	0	360.458	1.609	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)c2cnn(C)c2)C[C@H]1C	ZINC001104855685	794088343	/nfs/dbraw/zinc/08/83/43/794088343.db2.gz	VSGKZVUTYNJMHX-IAGOWNOFSA-N	1	0	360.502	1.422	20	30		FDEDRO
N#Cc1ccc(I)cc1C(=O)N[C@H]1CCC[NH2+]C1	ZINC001220895294	794148318	/nfs/dbraw/zinc/14/83/18/794148318.db2.gz	UYUGYTRSMQQKTC-NSHDSACASA-N	1	0	355.179	1.645	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1	ZINC001104891363	794236179	/nfs/dbraw/zinc/23/61/79/794236179.db2.gz	CMYQVFXJWLXANA-RHSMWYFYSA-N	1	0	352.442	1.493	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1CC[NH2+]Cc1cc(C#N)ccc1F	ZINC001104891564	794238615	/nfs/dbraw/zinc/23/86/15/794238615.db2.gz	JPVPQGOJGRHSLB-UKRRQHHQSA-N	1	0	370.432	1.632	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)cn2)C[C@H]1C	ZINC001104902470	794310618	/nfs/dbraw/zinc/31/06/18/794310618.db2.gz	UTBVUNNUCCMWKU-IAGOWNOFSA-N	1	0	351.454	1.978	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)CCc2ccccc2C(N)=O)C[C@H]1C	ZINC001104909144	794360483	/nfs/dbraw/zinc/36/04/83/794360483.db2.gz	ZQBGLCPVGMEKED-SJLPKXTDSA-N	1	0	355.482	1.816	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cn(C)nc3C)C2)nc1	ZINC001104924107	794420594	/nfs/dbraw/zinc/42/05/94/794420594.db2.gz	GTTCNZIOTUQETR-CRAIPNDOSA-N	1	0	365.481	1.993	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ncnn3CC)C2)nc1	ZINC001104924671	794422806	/nfs/dbraw/zinc/42/28/06/794422806.db2.gz	QDRAGOLTDNSWNK-NVXWUHKLSA-N	1	0	366.469	1.562	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2nn(C)c3ccccc32)C[C@H]1C	ZINC001104929219	794443728	/nfs/dbraw/zinc/44/37/28/794443728.db2.gz	JWDYLDWXPFKBMZ-IAGOWNOFSA-N	1	0	368.481	1.911	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4[nH]c(=O)n(C)c4c3)[C@H]2C1	ZINC001083294207	794463713	/nfs/dbraw/zinc/46/37/13/794463713.db2.gz	RJKCBZBYZWPVLT-ZWKOTPCHSA-N	1	0	370.453	1.770	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCCc2ccccn2)C[C@H]1C	ZINC001104936097	794468696	/nfs/dbraw/zinc/46/86/96/794468696.db2.gz	DABUFDUJNGAELN-QZTJIDSGSA-N	1	0	370.497	1.228	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)COc2ccccc2)C[C@H]1C	ZINC001104946071	794512339	/nfs/dbraw/zinc/51/23/39/794512339.db2.gz	LRZMSGIXBFGSGS-FGTMMUONSA-N	1	0	371.481	1.278	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1c1ccccc1	ZINC001211690885	806336211	/nfs/dbraw/zinc/33/62/11/806336211.db2.gz	OGJRZYWPVKJCEF-DLBZAZTESA-N	1	0	370.453	1.089	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C3CC3)cn2)C[C@H]1C	ZINC001104965206	794612931	/nfs/dbraw/zinc/61/29/31/794612931.db2.gz	BPZHKIXHHPOVTH-CRAIPNDOSA-N	1	0	370.497	1.949	20	30		FDEDRO
Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)cc1C	ZINC001104972243	794667227	/nfs/dbraw/zinc/66/72/27/794667227.db2.gz	RXTAMXAPDDHAPX-SJLPKXTDSA-N	1	0	356.470	1.631	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1	ZINC000974188227	794675159	/nfs/dbraw/zinc/67/51/59/794675159.db2.gz	NHBQQNRVDGHANI-ILOCAZANSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)CCC(=O)N2CCOCC2)C[C@H]1C	ZINC001104980915	794722871	/nfs/dbraw/zinc/72/28/71/794722871.db2.gz	VUZKLHKTOCTARM-IAGOWNOFSA-N	1	0	351.491	1.276	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CCCCCNC(C)=O)C[C@H]1C	ZINC001104980314	794728299	/nfs/dbraw/zinc/72/82/99/794728299.db2.gz	GXVNVVCPWSNVAJ-IEBWSBKVSA-N	1	0	367.534	1.960	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(F)cc(F)c2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104983530	794728950	/nfs/dbraw/zinc/72/89/50/794728950.db2.gz	MKTJOTFOJFPNJH-CHWSQXEVSA-N	1	0	364.396	1.292	20	30		FDEDRO
C=C(Br)C[NH2+]CC[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C	ZINC001104990074	794740565	/nfs/dbraw/zinc/74/05/65/794740565.db2.gz	GVASVWCPULXEAB-ZYHUDNBSSA-N	1	0	361.284	1.028	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CCCN2C(=O)CNC2=O)C[C@H]1C	ZINC001104992975	794751005	/nfs/dbraw/zinc/75/10/05/794751005.db2.gz	AGUXJWOWJWRGHS-TZMCWYRMSA-N	1	0	370.881	1.145	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CN(C)c3nccnc3C#N)C2)CC[N@@H+]1C	ZINC001058708816	794781564	/nfs/dbraw/zinc/78/15/64/794781564.db2.gz	XKUNLAKWNKVSDS-OWCLPIDISA-N	1	0	356.474	1.363	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)CCc2c(C)n[nH]c2C)C[C@H]1C	ZINC001105000753	794818120	/nfs/dbraw/zinc/81/81/20/794818120.db2.gz	RARMXJXEIWEGDG-CRAIPNDOSA-N	1	0	360.502	1.683	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2ccnn2C)C1	ZINC001087426675	806375151	/nfs/dbraw/zinc/37/51/51/806375151.db2.gz	PGNQEEQGNOUAKD-WOJBJXKFSA-N	1	0	350.466	1.960	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1CC[NH2+][C@@H]1CCCNC1=O	ZINC001105045286	795046168	/nfs/dbraw/zinc/04/61/68/795046168.db2.gz	QYLYOFLHKVVESJ-MISYRCLQSA-N	1	0	367.493	1.781	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1CC[NH2+]Cc1nnnn1C	ZINC001105045634	795048579	/nfs/dbraw/zinc/04/85/79/795048579.db2.gz	ZTPKRMVEVPCKRF-SJLPKXTDSA-N	1	0	366.469	1.226	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)COc2cccc(C(N)=O)c2)C[C@H]1C	ZINC001105058909	795091216	/nfs/dbraw/zinc/09/12/16/795091216.db2.gz	DRAHIRNEAQKOIN-NVXWUHKLSA-N	1	0	357.454	1.262	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)NCc2ccco2)C[C@H]1C	ZINC001105059006	795092103	/nfs/dbraw/zinc/09/21/03/795092103.db2.gz	JJKNCTYFUZWSGW-HZPDHXFCSA-N	1	0	360.458	1.176	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ncnn2CCC)C1	ZINC001105090433	795235110	/nfs/dbraw/zinc/23/51/10/795235110.db2.gz	VIZCSSHKTVVPHR-BRWVUGGUSA-N	1	0	363.506	1.853	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccnc(-n3cncn3)c2)C[C@H]1C	ZINC001105105033	795299407	/nfs/dbraw/zinc/29/94/07/795299407.db2.gz	LDORZNSJYBGMIV-NVXWUHKLSA-N	1	0	352.442	1.373	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1	ZINC000417588910	795309194	/nfs/dbraw/zinc/30/91/94/795309194.db2.gz	DJZUVSIUIMJLQI-MRXNPFEDSA-N	1	0	360.458	1.248	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)NC(=O)C2CCC2)C[C@H]1C	ZINC001105111458	795322643	/nfs/dbraw/zinc/32/26/43/795322643.db2.gz	ZKBFRIUAAMQUHQ-SOLBZPMBSA-N	1	0	365.518	1.568	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cccc(-n3ccnn3)c2)C[C@H]1C	ZINC001105114979	795333332	/nfs/dbraw/zinc/33/33/32/795333332.db2.gz	JOEVOJHEYNYGOG-SJLPKXTDSA-N	1	0	351.454	1.978	20	30		FDEDRO
CCOc1cccnc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C1	ZINC001105119962	795345619	/nfs/dbraw/zinc/34/56/19/795345619.db2.gz	JZXQWEDUKSUQFW-IAGOWNOFSA-N	1	0	359.470	1.818	20	30		FDEDRO
N#CCC[C@H](NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1	ZINC000417918200	795422246	/nfs/dbraw/zinc/42/22/46/795422246.db2.gz	OSXBOZQUQJGTEO-IRXDYDNUSA-N	1	0	357.458	1.528	20	30		FDEDRO
COC(=O)[C@@H]1C[N@H+](CCC(=O)N(C)CCC#N)C[C@H]1c1ccc(O)cc1	ZINC000296531126	795497742	/nfs/dbraw/zinc/49/77/42/795497742.db2.gz	DBJWSRRJADQZRZ-DLBZAZTESA-N	1	0	359.426	1.343	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC([NH2+]Cc2ccc(OC)nn2)CC1	ZINC001026564286	795559092	/nfs/dbraw/zinc/55/90/92/795559092.db2.gz	ZXWGWVVHXNLLPQ-MMADZMRASA-N	1	0	360.458	1.593	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H](C[NH3+])C1CCCCC1	ZINC000418370155	795827854	/nfs/dbraw/zinc/82/78/54/795827854.db2.gz	VJQRHBYDLDNSCY-HOCLYGCPSA-N	1	0	371.489	1.476	20	30		FDEDRO
CCc1nc(C#N)cc(N[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)C)n1	ZINC001105295592	795854219	/nfs/dbraw/zinc/85/42/19/795854219.db2.gz	MOMNGQVZUZNYED-BMFZPTHFSA-N	1	0	358.490	1.804	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H](Nc2nc(C)cc(C#N)n2)C(C)C)CC[N@@H+]1C	ZINC001105301774	795887091	/nfs/dbraw/zinc/88/70/91/795887091.db2.gz	WZKCRPGXYPQEKF-GVDBMIGSSA-N	1	0	358.490	1.940	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)CC1	ZINC000408100238	795932533	/nfs/dbraw/zinc/93/25/33/795932533.db2.gz	VFFWOGUJLWCGNF-OTWHNJEPSA-N	1	0	361.534	1.237	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCn3c(C)ncc3C1)C2	ZINC001112530081	806540505	/nfs/dbraw/zinc/54/05/05/806540505.db2.gz	CDXGLJMKOVLOBR-LQWHRVPQSA-N	1	0	354.498	1.996	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1	ZINC000979857013	806566521	/nfs/dbraw/zinc/56/65/21/806566521.db2.gz	RKXGCBJNEQJCHH-ZKXLYKBJSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnc(CC)n2C)C1	ZINC001026851661	799998825	/nfs/dbraw/zinc/99/88/25/799998825.db2.gz	PAQZJCKJOVVYPQ-XHSDSOJGSA-N	1	0	361.490	1.297	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)C[N@H+]4CC[C@@H](C)C4)C[C@H]32)nc1	ZINC000974680586	800062441	/nfs/dbraw/zinc/06/24/41/800062441.db2.gz	QVZHQTXSPMFWQF-SZVBFZGTSA-N	1	0	366.465	1.078	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@](C)(CO)[C@](C)(CO)C1)C(C)C	ZINC000636574240	800066792	/nfs/dbraw/zinc/06/67/92/800066792.db2.gz	WYZSZVXEYLUUPI-RLLQIKCJSA-N	1	0	367.534	1.707	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C(C)(C)C1	ZINC000974685054	800084697	/nfs/dbraw/zinc/08/46/97/800084697.db2.gz	JLTSXIBDNVZBFG-KURKYZTESA-N	1	0	358.486	1.738	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC001026894701	800130211	/nfs/dbraw/zinc/13/02/11/800130211.db2.gz	MDHYRCUUUTUIHG-YEWWUXTCSA-N	1	0	361.417	1.439	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@]45C[C@H]4CCC5)[C@@H]3C2)CC1	ZINC000974748335	800218712	/nfs/dbraw/zinc/21/87/12/800218712.db2.gz	WHTHGIRYADLOAH-JPAWQOSXSA-N	1	0	369.509	1.581	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3CCN(C(=O)C[N@@H+](C)C4CCC4)C[C@H]32)c1	ZINC000975065623	800813871	/nfs/dbraw/zinc/81/38/71/800813871.db2.gz	IYZXWLHJWVDYEF-VQIMIIECSA-N	1	0	366.465	1.220	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cn(C(C)(C)C)nn2)C1	ZINC001027075886	800890875	/nfs/dbraw/zinc/89/08/75/800890875.db2.gz	DOCUXFANIQGEHV-OIISXLGYSA-N	1	0	361.490	1.562	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cn(CC)nn2)C1	ZINC001027114155	800978759	/nfs/dbraw/zinc/97/87/59/800978759.db2.gz	RFINMMPULFRMHN-SZMVWBNQSA-N	1	0	361.490	1.607	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnc(C)s2)C1	ZINC001027116988	801013642	/nfs/dbraw/zinc/01/36/42/801013642.db2.gz	MTFXHNZKAWSHPY-YCPHGPKFSA-N	1	0	350.488	1.766	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1	ZINC000975323634	801146686	/nfs/dbraw/zinc/14/66/86/801146686.db2.gz	UOZPXYHTDGRUOX-ZTFGCOKTSA-N	1	0	358.486	1.327	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)CCC[NH2+]1	ZINC000662661439	806930895	/nfs/dbraw/zinc/93/08/95/806930895.db2.gz	CLOMDDQMABNEEK-OAQYLSRUSA-N	1	0	371.481	1.800	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)CCC4CC4)C[C@@H]32)CC1	ZINC000975623036	801780623	/nfs/dbraw/zinc/78/06/23/801780623.db2.gz	FTUNWZMMQPSXHX-ICSRJNTNSA-N	1	0	371.525	1.971	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)CCC[NH2+]1	ZINC000662667815	806941587	/nfs/dbraw/zinc/94/15/87/806941587.db2.gz	YXYDPDXMXFEZQE-FQEVSTJZSA-N	1	0	374.460	1.607	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21	ZINC000975699444	802054566	/nfs/dbraw/zinc/05/45/66/802054566.db2.gz	COJCSRYUFZAEPP-OTWHNJEPSA-N	1	0	357.498	1.722	20	30		FDEDRO
C[NH+](C)C1(C(=O)N2CC[C@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@H]3C2)CCC1	ZINC000975760543	802290963	/nfs/dbraw/zinc/29/09/63/802290963.db2.gz	KQCOBBXCDPEJOY-YOEHRIQHSA-N	1	0	369.469	1.434	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)cc1	ZINC000975847015	802579816	/nfs/dbraw/zinc/57/98/16/802579816.db2.gz	MSFYOPSVXXLBFG-ICSRJNTNSA-N	1	0	365.477	1.827	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1	ZINC000668967921	802689737	/nfs/dbraw/zinc/68/97/37/802689737.db2.gz	LJCJLVOCGLIQOH-MRXNPFEDSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)NCCCN(C(C)C)S(C)(=O)=O	ZINC000661115994	802730424	/nfs/dbraw/zinc/73/04/24/802730424.db2.gz	GMQCDXLIBDUPOL-DLBZAZTESA-N	1	0	373.563	1.887	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@H]2C1	ZINC000975965083	802777357	/nfs/dbraw/zinc/77/73/57/802777357.db2.gz	RNLGIJUOROGSJC-AYBZRNKSSA-N	1	0	368.481	1.971	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)CCC[NH2+]1	ZINC000662802164	803319172	/nfs/dbraw/zinc/31/91/72/803319172.db2.gz	ZFSVTVLIBIEXTH-SJLPKXTDSA-N	1	0	369.531	1.538	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCC[N@H+]2C)cn1	ZINC000976414424	803343717	/nfs/dbraw/zinc/34/37/17/803343717.db2.gz	VULVHTRZCYPTKA-KURKYZTESA-N	1	0	354.454	1.314	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2cc(C#N)c[nH]2)C1	ZINC000976474202	803428959	/nfs/dbraw/zinc/42/89/59/803428959.db2.gz	NHQBZQIFGQFXMB-NUEKZKHPSA-N	1	0	357.458	1.385	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[NH+]3CCC2CC3)[nH]1	ZINC000976539353	803491201	/nfs/dbraw/zinc/49/12/01/803491201.db2.gz	OPCIDJKTCQHRLZ-BRWVUGGUSA-N	1	0	369.469	1.385	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(Cl)[nH]1)C2	ZINC001112525516	803553060	/nfs/dbraw/zinc/55/30/60/803553060.db2.gz	XAHBJSOHVVBFMW-UGSOOPFHSA-N	1	0	362.861	1.249	20	30		FDEDRO
C=CC[C@]1(C(=O)Nc2cccc(CN3CCCS3(=O)=O)c2)CCC[NH2+]1	ZINC000662846817	803680056	/nfs/dbraw/zinc/68/00/56/803680056.db2.gz	RTQKQRGTYMCMFE-GOSISDBHSA-N	1	0	363.483	1.859	20	30		FDEDRO
C=CC[C@]1(C(=O)N2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)CCC[NH2+]1	ZINC000662850650	803709688	/nfs/dbraw/zinc/70/96/88/803709688.db2.gz	RSSKFDYHNFJDFN-SVFBPWRDSA-N	1	0	355.482	1.797	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1	ZINC000423190221	814995831	/nfs/dbraw/zinc/99/58/31/814995831.db2.gz	QOQSMVFOVGBRQJ-OAHLLOKOSA-N	1	0	354.454	1.659	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4COCCO4)[C@@H]3C2)cc1	ZINC001075568391	804459338	/nfs/dbraw/zinc/45/93/38/804459338.db2.gz	ZFTSGPNWMCMSRB-QXAKKESOSA-N	1	0	371.437	1.037	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C[N@H+]2CCC[C@@H]2C)c1	ZINC000977170692	804506468	/nfs/dbraw/zinc/50/64/68/804506468.db2.gz	VTBUKHASZCDMBF-KFKAGJAMSA-N	1	0	368.481	1.704	20	30		FDEDRO
C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C(C)(C)C1	ZINC000977306304	804731140	/nfs/dbraw/zinc/73/11/40/804731140.db2.gz	XNIOAOYPNJUESP-LZLYRXPVSA-N	1	0	354.454	1.061	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)C(F)F)C2	ZINC001112526473	804803106	/nfs/dbraw/zinc/80/31/06/804803106.db2.gz	JTUNHTVVMMSNJM-NJSLBKSFSA-N	1	0	369.456	1.634	20	30		FDEDRO
C=CCn1cccc1C(=O)N(C)C[C@@H]1CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC000977884228	805028568	/nfs/dbraw/zinc/02/85/68/805028568.db2.gz	CFFGGYMFNBKRGA-IXDOHACOSA-N	1	0	358.486	1.687	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)C12CCC[NH+]1CCC2	ZINC000978029861	805146417	/nfs/dbraw/zinc/14/64/17/805146417.db2.gz	DHQOIJVWAXVCBZ-ZACQAIPSSA-N	1	0	361.486	1.265	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccnc(OC)c3)C[C@H]21	ZINC000978166863	805234259	/nfs/dbraw/zinc/23/42/59/805234259.db2.gz	KUROHAVMCTXKAQ-QQXKLLMISA-N	1	0	371.481	1.865	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1	ZINC000423445855	815078633	/nfs/dbraw/zinc/07/86/33/815078633.db2.gz	CCVUHNBTTVREQD-GOSISDBHSA-N	1	0	359.470	1.827	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1nccn3ccnc13)C2	ZINC001112531890	807110518	/nfs/dbraw/zinc/11/05/18/807110518.db2.gz	VVTYUKJTFSNVDQ-JXFKEZNVSA-N	1	0	367.453	1.211	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2cccc(C#N)c2)O1	ZINC001027965442	807126723	/nfs/dbraw/zinc/12/67/23/807126723.db2.gz	CESIMDMCWLEBHM-ATZDWAIDSA-N	1	0	356.470	1.358	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2ncn(C)c2=O)C1	ZINC001087431337	807189381	/nfs/dbraw/zinc/18/93/81/807189381.db2.gz	KNWKIGADBOKSRR-QZTJIDSGSA-N	1	0	369.469	1.132	20	30		FDEDRO
C[C@H]1CCN(C(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C[C@H]1C[NH3+]	ZINC000423561441	815118136	/nfs/dbraw/zinc/11/81/36/815118136.db2.gz	PLWZSIDWCYMKBH-HNAYVOBHSA-N	1	0	366.465	1.617	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1	ZINC000423548156	815127782	/nfs/dbraw/zinc/12/77/82/815127782.db2.gz	CAQYWHFPHHDGDC-KSSFIOAISA-N	1	0	352.438	1.370	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1	ZINC000981108939	807566079	/nfs/dbraw/zinc/56/60/79/807566079.db2.gz	XHBVMRFAFOONEM-SQWLQELKSA-N	1	0	357.458	1.243	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1	ZINC000981188295	807667792	/nfs/dbraw/zinc/66/77/92/807667792.db2.gz	CCNBZHYJDAHQKE-SQWLQELKSA-N	1	0	357.458	1.243	20	30		FDEDRO
C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	ZINC001028042954	807677620	/nfs/dbraw/zinc/67/76/20/807677620.db2.gz	CFWFLGUSACVLNP-KSZLIROESA-N	1	0	351.491	1.023	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C2CC2)cc1	ZINC000423572991	815142047	/nfs/dbraw/zinc/14/20/47/815142047.db2.gz	QMTICSLNAJMWCJ-OAQYLSRUSA-N	1	0	366.465	1.651	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1	ZINC000981375222	807975320	/nfs/dbraw/zinc/97/53/20/807975320.db2.gz	AQBQWQUUBJWZHI-YXJHDRRASA-N	1	0	354.454	1.029	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1	ZINC000981378859	807980049	/nfs/dbraw/zinc/98/00/49/807980049.db2.gz	BACLCTLNYOXIFI-YTQUADARSA-N	1	0	353.466	1.634	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)c1	ZINC000981412888	808028404	/nfs/dbraw/zinc/02/84/04/808028404.db2.gz	XSWJPJMPFWNDRW-XKQJLSEDSA-N	1	0	369.469	1.243	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@]34C[C@H]3CCC4)C2)CC1	ZINC000981544630	808114823	/nfs/dbraw/zinc/11/48/23/808114823.db2.gz	MRRLWNGAQDKGEB-OSGXGRJZSA-N	1	0	371.525	1.923	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1	ZINC000981684840	808339299	/nfs/dbraw/zinc/33/92/99/808339299.db2.gz	NSAXJCKGAZSRND-LXZKKBNFSA-N	1	0	357.458	1.385	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)nc1	ZINC000981685395	808340714	/nfs/dbraw/zinc/34/07/14/808340714.db2.gz	XODVIZZHMNCPEB-SCTDSRPQSA-N	1	0	368.481	1.562	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000652677335	808345298	/nfs/dbraw/zinc/34/52/98/808345298.db2.gz	YGBYEMKHUIMVIJ-LUKYLMHMSA-N	1	0	351.491	1.592	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1	ZINC000423702821	815206801	/nfs/dbraw/zinc/20/68/01/815206801.db2.gz	ZAEGPNQTBDNMDA-QGTPRVQTSA-N	1	0	370.453	1.186	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1	ZINC000504353932	815210822	/nfs/dbraw/zinc/21/08/22/815210822.db2.gz	ZLKDHCLHSMGJHT-SJORKVTESA-N	1	0	354.458	1.412	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)nc1	ZINC000981843695	808607145	/nfs/dbraw/zinc/60/71/45/808607145.db2.gz	OZMWYWRTHOFWJH-RCCFBDPRSA-N	1	0	368.481	1.419	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)cn1	ZINC000981847508	808624344	/nfs/dbraw/zinc/62/43/44/808624344.db2.gz	CQDRQNGYVJRLMF-MAUKXSAKSA-N	1	0	366.465	1.173	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc2c(c1)nnn2C	ZINC001028142307	808640355	/nfs/dbraw/zinc/64/03/55/808640355.db2.gz	IRNMUVRZDNBLIT-FCEWJHQRSA-N	1	0	369.469	1.640	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@@]34CC[N@H+](C3)CCC4)C2)c1	ZINC000981863046	808661852	/nfs/dbraw/zinc/66/18/52/808661852.db2.gz	OEMCSMMPWKJQLP-NBQZKYEYSA-N	1	0	369.469	1.387	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c(C)c[nH]c1CC(N)=O)C2	ZINC001112533568	808733654	/nfs/dbraw/zinc/73/36/54/808733654.db2.gz	RKFYSWREPBKJCJ-YWZLYKJASA-N	1	0	356.470	1.206	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccc(C#N)cc1F	ZINC000279297548	808734951	/nfs/dbraw/zinc/73/49/51/808734951.db2.gz	LDFHOIKIUUDWET-CYBMUJFWSA-N	1	0	374.416	1.348	20	30		FDEDRO
C#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2nnnc2C(C)C)C1	ZINC001087439348	809078964	/nfs/dbraw/zinc/07/89/64/809078964.db2.gz	SCVKUQKZLXKNSR-QZTJIDSGSA-N	1	0	366.469	1.404	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CCCO)CC[C@@H]2c2ccccc2)nn1	ZINC001087439220	809083166	/nfs/dbraw/zinc/08/31/66/809083166.db2.gz	LTZVCWRBNCIOTH-QZTJIDSGSA-N	1	0	369.469	1.434	20	30		FDEDRO
C[C@H]([NH3+])[C@H](C)NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000418708076	809147579	/nfs/dbraw/zinc/14/75/79/809147579.db2.gz	UCIOLXDBLBKNHH-RYUDHWBXSA-N	1	0	358.402	1.374	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2cncn2C)C[C@H]1c1ccccc1	ZINC001211715938	809148895	/nfs/dbraw/zinc/14/88/95/809148895.db2.gz	YQHXVLGGPHXASY-VQTJNVASSA-N	1	0	350.466	1.960	20	30		FDEDRO
CC[C@H]([NH3+])CNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000418739057	809171311	/nfs/dbraw/zinc/17/13/11/809171311.db2.gz	YAHRJUOFWADUEE-LBPRGKRZSA-N	1	0	358.402	1.375	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCC[C@H]1CCC[NH2+]1	ZINC000418781768	809210068	/nfs/dbraw/zinc/21/00/68/809210068.db2.gz	ZNTOUNWAFTVING-HUUCEWRRSA-N	1	0	357.462	1.101	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1c1ccccc1	ZINC001211718366	809216084	/nfs/dbraw/zinc/21/60/84/809216084.db2.gz	JWWPLPAPFQYNNV-FUHWJXTLSA-N	1	0	352.438	1.554	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@H]1c1ccccc1	ZINC001211720906	809274563	/nfs/dbraw/zinc/27/45/63/809274563.db2.gz	SFPRAAVZCOZULQ-JKSUJKDBSA-N	1	0	365.437	1.349	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CC=CCC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1	ZINC000261667710	809375087	/nfs/dbraw/zinc/37/50/87/809375087.db2.gz	BRIVWWZHRZLFIG-KUHUBIRLSA-N	1	0	361.490	1.618	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2noc3c2COCC3)C[C@H]1c1ccccc1	ZINC001211726420	809418646	/nfs/dbraw/zinc/41/86/46/809418646.db2.gz	ZUBSOQDZCGWPGS-FUHWJXTLSA-N	1	0	365.433	1.968	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)c1	ZINC000419082738	809544025	/nfs/dbraw/zinc/54/40/25/809544025.db2.gz	VDCSFUNKMMEKCU-FUHWJXTLSA-N	1	0	366.396	1.267	20	30		FDEDRO
C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000419105691	809563979	/nfs/dbraw/zinc/56/39/79/809563979.db2.gz	BZVLUXBKQSULGQ-SWLSCSKDSA-N	1	0	367.371	1.287	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC[NH2+]1	ZINC000419123241	809577247	/nfs/dbraw/zinc/57/72/47/809577247.db2.gz	XYSUADDTEIMSNY-SWLSCSKDSA-N	1	0	367.371	1.430	20	30		FDEDRO
C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1	ZINC000432879505	809681240	/nfs/dbraw/zinc/68/12/40/809681240.db2.gz	LFFIBBOKVWNNIH-HNNXBMFYSA-N	1	0	372.512	1.112	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C2CCN(C(N)=O)CC2)C1	ZINC001087443528	809801209	/nfs/dbraw/zinc/80/12/09/809801209.db2.gz	RFNGVPZMCCXTKZ-RTBURBONSA-N	1	0	370.497	1.937	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1	ZINC000424144685	815317837	/nfs/dbraw/zinc/31/78/37/815317837.db2.gz	XUHHSFUNKOMDFE-KRWDZBQOSA-N	1	0	357.458	1.227	20	30		FDEDRO
C#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)N2CCCCC2=O)C1	ZINC001087443979	809806294	/nfs/dbraw/zinc/80/62/94/809806294.db2.gz	QDYZBJQKWPIIKT-MISYRCLQSA-N	1	0	367.493	1.995	20	30		FDEDRO
C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000419207722	809831271	/nfs/dbraw/zinc/83/12/71/809831271.db2.gz	MUZMEFYXZYEWOO-KGLIPLIRSA-N	1	0	350.422	1.866	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(=O)[nH]c(C3CC3)n2)C[C@H]1C(F)(F)F	ZINC001112119360	809977506	/nfs/dbraw/zinc/97/75/06/809977506.db2.gz	ROAQSNYOFPKKEI-DGCLKSJQSA-N	1	0	368.359	1.675	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)N2CCOCC2)C[C@H]1c1ccccc1	ZINC001211746292	809982820	/nfs/dbraw/zinc/98/28/20/809982820.db2.gz	WNQOQOYSPNPKOH-YSIASYRMSA-N	1	0	357.498	1.867	20	30		FDEDRO
CC(C)N1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)C1=O	ZINC001075698182	815333871	/nfs/dbraw/zinc/33/38/71/815333871.db2.gz	SUSVYEIWNPHQEX-RRQGHBQHSA-N	1	0	355.442	1.042	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)NCCCC[NH+]3CCCC3)C2)nc1	ZINC000366171223	810010307	/nfs/dbraw/zinc/01/03/07/810010307.db2.gz	IAYLVQZZCLFLFX-QGZVFWFLSA-N	1	0	357.458	1.992	20	30		FDEDRO
N#Cc1ccc(C(F)(F)F)nc1N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1	ZINC000894110338	810084161	/nfs/dbraw/zinc/08/41/61/810084161.db2.gz	CWECCRYQHDJPGI-ZDUSSCGKSA-N	1	0	367.375	1.763	20	30		FDEDRO
Cc1c(C(=O)N2CC[C@H]3CN(Cc4ccc(C#N)cc4F)C[C@H]32)nnn1C	ZINC001075640224	810118746	/nfs/dbraw/zinc/11/87/46/810118746.db2.gz	AAIIQHHZBBBSEE-DOTOQJQBSA-N	1	0	368.416	1.481	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H]1CCOC[C@@H]1C	ZINC000433138133	810206328	/nfs/dbraw/zinc/20/63/28/810206328.db2.gz	QYNGIZXWQCDVJR-GUYCJALGSA-N	1	0	362.474	1.966	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(COC)c2)C[C@H]1OC	ZINC001212178177	810239498	/nfs/dbraw/zinc/23/94/98/810239498.db2.gz	LDFBGZRJRJQSAQ-GGPKGHCWSA-N	1	0	362.470	1.476	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@@H](NC(C)=O)C1	ZINC000669335149	810314050	/nfs/dbraw/zinc/31/40/50/810314050.db2.gz	JPPTUTGUCRREJI-ZACQAIPSSA-N	1	0	374.489	1.105	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)cc1	ZINC000419290853	810336413	/nfs/dbraw/zinc/33/64/13/810336413.db2.gz	RKRDBBPLMQLWFR-ROUUACIJSA-N	1	0	354.454	1.555	20	30		FDEDRO
C[NH+]1CCC(O)(CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1	ZINC000429906561	810346049	/nfs/dbraw/zinc/34/60/49/810346049.db2.gz	ACYKPZANIRZKCW-UHFFFAOYSA-N	1	0	367.453	1.650	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C2(NC(C)=O)CCCCC2)C[C@H]1C(F)(F)F	ZINC001112123472	810421011	/nfs/dbraw/zinc/42/10/11/810421011.db2.gz	LBVCDOXDYFAWLK-ZIAGYGMSSA-N	1	0	359.392	1.438	20	30		FDEDRO
C=CC[C@@H]1N(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CCCC1(C)C	ZINC000424496482	815376240	/nfs/dbraw/zinc/37/62/40/815376240.db2.gz	TZGGKDQMGMPIKC-BBWFWOEESA-N	1	0	373.501	1.267	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC(=O)N2CCCCC2)C1	ZINC001028549386	810617863	/nfs/dbraw/zinc/61/78/63/810617863.db2.gz	PPLCHMBFYVZXHM-KURKYZTESA-N	1	0	363.502	1.418	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN(Cc2nnc(C(C)C)[nH]2)C1	ZINC001028549712	810618893	/nfs/dbraw/zinc/61/88/93/810618893.db2.gz	WBJOZVDIVZKZJQ-OAGGEKHMSA-N	1	0	361.490	1.847	20	30		FDEDRO
C[C@H]1CC2(CN1C(=O)C(=O)NCCOc1ccc(C#N)cc1)CC[NH2+]CC2	ZINC000424518180	815384238	/nfs/dbraw/zinc/38/42/38/815384238.db2.gz	HJWRECKPXZXAFC-HNNXBMFYSA-N	1	0	370.453	1.044	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1ccccc1OC	ZINC001167927548	810755715	/nfs/dbraw/zinc/75/57/15/810755715.db2.gz	RFEVZDCMVXUSQH-HYVNUMGLSA-N	1	0	359.470	1.585	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC(C(=O)NCCC[NH+](CC)CC)CC2)nc1	ZINC000728982755	810900373	/nfs/dbraw/zinc/90/03/73/810900373.db2.gz	MHVOYSWKIFOGAM-UHFFFAOYSA-N	1	0	370.497	1.763	20	30		FDEDRO
CC(C)N1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)C1=O	ZINC001075658488	810907745	/nfs/dbraw/zinc/90/77/45/810907745.db2.gz	FJXCWPUWQBKYTD-BHYGNILZSA-N	1	0	355.442	1.042	20	30		FDEDRO
Cc1noc(CCC[N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)n1	ZINC001075658810	810910264	/nfs/dbraw/zinc/91/02/64/810910264.db2.gz	UEFMKSUTXVJFAY-GOEBONIOSA-N	1	0	354.414	1.357	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCC(=O)N2)C1	ZINC001087463365	811086566	/nfs/dbraw/zinc/08/65/66/811086566.db2.gz	GOTMEXHWVMXQFT-KZNAEPCWSA-N	1	0	357.429	1.402	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC#Cc2cccc(F)c2)CC1=O	ZINC000513212934	811288780	/nfs/dbraw/zinc/28/87/80/811288780.db2.gz	BDBZCTXRCCUPIL-HKUYNNGSSA-N	1	0	371.456	1.626	20	30		FDEDRO
C[NH+]=C(NCc1cnc(N(C)C)n1C)N1CC[C@@H](C)[C@@H](n2ccnc2)C1	ZINC000261663515	811293225	/nfs/dbraw/zinc/29/32/25/811293225.db2.gz	BALWQFMZRXGCOY-ZBFHGGJFSA-N	1	0	358.494	1.341	20	30		FDEDRO
C[NH+]=C(NC[C@@H](C)c1c(C)noc1C)N1CCO[C@H](c2cnn(C)c2)C1	ZINC000261753285	811311553	/nfs/dbraw/zinc/31/15/53/811311553.db2.gz	MBLYRKHRRWSGLI-WBMJQRKESA-N	1	0	360.462	1.777	20	30		FDEDRO
C[NH+]=C(NCc1cn2ccccc2n1)N1CCN(C[C@H]2CCOC2)CC1	ZINC000261763309	811315145	/nfs/dbraw/zinc/31/51/45/811315145.db2.gz	OMROQUJJHJDSQK-MRXNPFEDSA-N	1	0	356.474	1.064	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000982820665	811320592	/nfs/dbraw/zinc/32/05/92/811320592.db2.gz	OFGWLIAYAARLHH-SZVBFZGTSA-N	1	0	353.466	1.586	20	30		FDEDRO
C[NH+]=C(NCc1nc(-c2ccccc2)c[nH]1)N1CCC[C@@H](CC(N)=O)C1	ZINC000261806282	811323473	/nfs/dbraw/zinc/32/34/73/811323473.db2.gz	RZHFSKFRFMIJBN-AWEZNQCLSA-N	1	0	354.458	1.740	20	30		FDEDRO
Cc1nnc(CNC(=[NH+]C[C@H]2CCCO2)N2CCc3ccccc32)n1C	ZINC000261948141	811351076	/nfs/dbraw/zinc/35/10/76/811351076.db2.gz	GMMNOIGKOMGYHD-MRXNPFEDSA-N	1	0	354.458	1.811	20	30		FDEDRO
CC[NH+]=C(NCCN1C(=O)CNC1=O)N[C@H]1CC(C)(C)Oc2ccccc21	ZINC000262000779	811364246	/nfs/dbraw/zinc/36/42/46/811364246.db2.gz	UKHSOVXUCABBKN-AWEZNQCLSA-N	1	0	373.457	1.396	20	30		FDEDRO
COc1cccc(C2(CNC(=[NH2+])N3CCN(c4ncccn4)CC3)CC2)c1	ZINC000262328768	811442497	/nfs/dbraw/zinc/44/24/97/811442497.db2.gz	UPBWZPJXSIWYDW-UHFFFAOYSA-N	1	0	366.469	1.654	20	30		FDEDRO
COC[C@H]1CCN(C(N[C@@H]2CCOc3ccccc32)=[NH+]CC(=O)N(C)C)C1	ZINC000262326061	811442552	/nfs/dbraw/zinc/44/25/52/811442552.db2.gz	TXCOTIOQSIEPON-DOTOQJQBSA-N	1	0	374.485	1.512	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N1CCN(c2ncccn2)CC1	ZINC000262453973	811471165	/nfs/dbraw/zinc/47/11/65/811471165.db2.gz	WMZRSLHRCDTMNF-ARFHVFGLSA-N	1	0	358.490	1.378	20	30		FDEDRO
C[NH+]=C(NCCn1cnc2ccccc21)N1CCN(c2ncccn2)CC1	ZINC000262565994	811493988	/nfs/dbraw/zinc/49/39/88/811493988.db2.gz	LIUDQZUJDBGPDY-UHFFFAOYSA-N	1	0	364.457	1.224	20	30		FDEDRO
C[NH+]=C(NCc1cccn1C)N1CCN(CC(=O)N2CCCCCC2)CC1	ZINC000262757846	811547111	/nfs/dbraw/zinc/54/71/11/811547111.db2.gz	CDYPXEHSCCEBJQ-UHFFFAOYSA-N	1	0	374.533	1.121	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC(C)C)C1	ZINC001104035864	811915795	/nfs/dbraw/zinc/91/57/95/811915795.db2.gz	SUPBLZAPCKBTAE-QZTJIDSGSA-N	1	0	367.534	1.816	20	30		FDEDRO
N#Cc1ccccc1-c1ccc(CNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)cc1	ZINC000419643129	812069386	/nfs/dbraw/zinc/06/93/86/812069386.db2.gz	NZPUTDXLIWTPQX-MRXNPFEDSA-N	1	0	362.433	1.649	20	30		FDEDRO
N#CCCCCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1	ZINC000419650571	812075312	/nfs/dbraw/zinc/07/53/12/812075312.db2.gz	NOFVYZXILIOMRR-CJNGLKHVSA-N	1	0	364.396	1.337	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)CC1	ZINC000419793196	812184567	/nfs/dbraw/zinc/18/45/67/812184567.db2.gz	BHMQXWRCRBJDDG-UHFFFAOYSA-N	1	0	369.450	1.831	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCC1([NH3+])CCCCC1	ZINC000419826082	812217636	/nfs/dbraw/zinc/21/76/36/812217636.db2.gz	WBNMSJXVPODQGL-UHFFFAOYSA-N	1	0	354.454	1.851	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCC2(C#N)CCC2)ccc1OCC[NH+](C)C	ZINC000419807689	812221879	/nfs/dbraw/zinc/22/18/79/812221879.db2.gz	MOZGTKZRHRUINN-UHFFFAOYSA-N	1	0	358.442	1.684	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)NCC[C@H]3CC[NH2+]C3)CC2)cc1	ZINC000419921691	812288142	/nfs/dbraw/zinc/28/81/42/812288142.db2.gz	YIVCHGZKVDMXLX-MRXNPFEDSA-N	1	0	352.438	1.290	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1	ZINC000420001069	813392399	/nfs/dbraw/zinc/39/23/99/813392399.db2.gz	PEDCDAVTNYUWKV-MRXNPFEDSA-N	1	0	359.470	1.716	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CC[NH2+]1	ZINC000420133437	813472186	/nfs/dbraw/zinc/47/21/86/813472186.db2.gz	SZXLKNVYFNEZET-HOCLYGCPSA-N	1	0	370.453	1.185	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000501691036	813600984	/nfs/dbraw/zinc/60/09/84/813600984.db2.gz	SNODFLBIEORMGI-IEBWSBKVSA-N	1	0	373.497	1.674	20	30		FDEDRO
C=CCn1c(C)cc(C(=O)CN2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1C	ZINC000420388193	813639343	/nfs/dbraw/zinc/63/93/43/813639343.db2.gz	WYXOSAACKBELGM-KRWDZBQOSA-N	1	0	356.474	1.861	20	30		FDEDRO
C[NH+]=C(NCc1ncc(C(C)(C)C)o1)N1CCN(C[C@H]2CCOC2)CC1	ZINC000261823623	813663002	/nfs/dbraw/zinc/66/30/02/813663002.db2.gz	USGKNIJBQSCKON-OAHLLOKOSA-N	1	0	363.506	1.702	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)N2CC[C@H](C[NH+](C)C)C2)c(C#N)cn1CC	ZINC000421177052	813980616	/nfs/dbraw/zinc/98/06/16/813980616.db2.gz	UTQPDSXOMOWORT-CYBMUJFWSA-N	1	0	361.446	1.972	20	30		FDEDRO
C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)CC[C@@H]1N1CC[NH+](C)CC1	ZINC000367030671	814258683	/nfs/dbraw/zinc/25/86/83/814258683.db2.gz	ROSTWVFPHCZCOI-PXNSSMCTSA-N	1	0	369.513	1.845	20	30		FDEDRO
C[C@H]([NH2+]CCC(=O)N(C)CCC#N)c1ccc(OCC(=O)NC2CC2)cc1	ZINC000271786447	814478265	/nfs/dbraw/zinc/47/82/65/814478265.db2.gz	PXWPBMMWTOBUAK-HNNXBMFYSA-N	1	0	372.469	1.757	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2cc(C)n(CCC#N)n2)CC1	ZINC000272047287	814555764	/nfs/dbraw/zinc/55/57/64/814555764.db2.gz	GUNMCQOCDYCSNT-OAHLLOKOSA-N	1	0	361.494	1.500	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C	ZINC000272460519	814713806	/nfs/dbraw/zinc/71/38/06/814713806.db2.gz	CLRKWOBSMJUYHG-ZENOOKHLSA-N	1	0	356.426	1.515	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1	ZINC000422313485	814807265	/nfs/dbraw/zinc/80/72/65/814807265.db2.gz	DPEHDGFBRUUSCV-MRXNPFEDSA-N	1	0	359.470	1.716	20	30		FDEDRO
Cc1cc(C)n(CC[N@@H+]2C[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)n1	ZINC001075710125	815770521	/nfs/dbraw/zinc/77/05/21/815770521.db2.gz	XJKZETAYXZGALU-MAUKXSAKSA-N	1	0	352.442	1.546	20	30		FDEDRO
C#CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCN(C)C(=O)C2)C1	ZINC001087465967	815878093	/nfs/dbraw/zinc/87/80/93/815878093.db2.gz	RVIOPOGEBNLHKN-QXAKKESOSA-N	1	0	371.456	1.601	20	30		FDEDRO
C=CCN(C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@@H](C)COC	ZINC000664475406	815940889	/nfs/dbraw/zinc/94/08/89/815940889.db2.gz	QENKOTADBHWZOC-CGTJXYLNSA-N	1	0	353.507	1.987	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCc1ccc(CC#N)cc1	ZINC000514858846	816015509	/nfs/dbraw/zinc/01/55/09/816015509.db2.gz	ZIPDQIBLBABPLZ-CVEARBPZSA-N	1	0	356.470	1.605	20	30		FDEDRO
CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]C[C@@H]1CNc2c(C#N)cnn2C1	ZINC000514863216	816018426	/nfs/dbraw/zinc/01/84/26/816018426.db2.gz	PNZDTOHLWARALZ-KBMXLJTQSA-N	1	0	355.446	1.523	20	30		FDEDRO
C=CCn1cc(CNC(=O)NCCC[N@@H+]2CCc3ccccc3C2)nn1	ZINC000425395932	816117757	/nfs/dbraw/zinc/11/77/57/816117757.db2.gz	OJSNGKNOWTXJNT-UHFFFAOYSA-N	1	0	354.458	1.712	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000435651976	816132118	/nfs/dbraw/zinc/13/21/18/816132118.db2.gz	ZRPMZTLTPHZBTP-UHFFFAOYSA-N	1	0	374.416	1.397	20	30		FDEDRO
C[C@@H]1C[NH+](CCCNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C[C@@H](C)O1	ZINC000505735778	816282384	/nfs/dbraw/zinc/28/23/84/816282384.db2.gz	IGDSCGYVHHYAST-CLCXKQKWSA-N	1	0	367.490	1.864	20	30		FDEDRO
C[C@@H]1C[NH+](CCCNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C[C@@H](C)O1	ZINC000505735780	816282703	/nfs/dbraw/zinc/28/27/03/816282703.db2.gz	IGDSCGYVHHYAST-SPYBWZPUSA-N	1	0	367.490	1.864	20	30		FDEDRO
C=CCn1cc(CNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)nn1	ZINC000425440707	816289438	/nfs/dbraw/zinc/28/94/38/816289438.db2.gz	GYOTXEKBXMHEIM-SFHVURJKSA-N	1	0	368.485	1.828	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(N(C)C(C)=O)cc2)c1C#N	ZINC000515581064	816330460	/nfs/dbraw/zinc/33/04/60/816330460.db2.gz	UYUKJYCPZAFRAW-UHFFFAOYSA-N	1	0	354.414	1.668	20	30		FDEDRO
C=CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCNC2=O)C1	ZINC001087466405	816535162	/nfs/dbraw/zinc/53/51/62/816535162.db2.gz	QRMOXHSAVLZVNO-KZNAEPCWSA-N	1	0	359.445	1.812	20	30		FDEDRO
COc1c(N)ncnc1N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000516193735	816686312	/nfs/dbraw/zinc/68/63/12/816686312.db2.gz	PSODEIWBEZXMHU-UHFFFAOYSA-N	1	0	352.398	1.794	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1	ZINC000437023565	816860781	/nfs/dbraw/zinc/86/07/81/816860781.db2.gz	IQSTXRGHQCLXBK-AEFFLSMTSA-N	1	0	359.470	1.827	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCN(C(C)C)C2=O)c(OC)c1	ZINC000516762020	816994686	/nfs/dbraw/zinc/99/46/86/816994686.db2.gz	RJLFHOMGZBQQTH-IRXDYDNUSA-N	1	0	362.470	1.762	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1	ZINC000425787530	817020133	/nfs/dbraw/zinc/02/01/33/817020133.db2.gz	RULHRBWPQIUEIV-YOEHRIQHSA-N	1	0	361.442	1.273	20	30		FDEDRO
C[NH+](C)CCOc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)cc1F	ZINC000425811490	817118904	/nfs/dbraw/zinc/11/89/04/817118904.db2.gz	JOZPMAWYBNHRPT-QWHCGFSZSA-N	1	0	362.405	1.513	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C	ZINC000425909011	817349214	/nfs/dbraw/zinc/34/92/14/817349214.db2.gz	LRHDWDDAQZSCEW-UAGQMJEPSA-N	1	0	363.433	1.252	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCN(c2cc[nH+]cc2OC)CC1	ZINC000437986026	817424741	/nfs/dbraw/zinc/42/47/41/817424741.db2.gz	NAOHSRGXYDTOQW-CRAIPNDOSA-N	1	0	360.458	1.903	20	30		FDEDRO
CCc1nc(CN2C[C@@H]3C[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)C[C@H]3C2)no1	ZINC000366690921	817528574	/nfs/dbraw/zinc/52/85/74/817528574.db2.gz	BFWGOJBAYONJJK-CLCXKQKWSA-N	1	0	374.489	1.050	20	30		FDEDRO
C#CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@]2(C)CCC(=O)NC2)C1	ZINC001087467029	817721919	/nfs/dbraw/zinc/72/19/19/817721919.db2.gz	APPCIRQWXLLXDR-OPYAIIAOSA-N	1	0	371.456	1.649	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C(F)(F)F)C[C@H]1C(F)(F)F	ZINC001112143505	817886329	/nfs/dbraw/zinc/88/63/29/817886329.db2.gz	AMRAWOISRYXKLJ-GMTAPVOTSA-N	1	0	360.298	1.814	20	30		FDEDRO
CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(C#N)ccn1	ZINC000506534614	817921510	/nfs/dbraw/zinc/92/15/10/817921510.db2.gz	XTRWGMRUZCCAHT-HXUWFJFHSA-N	1	0	350.422	1.662	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1	ZINC001087476390	818375616	/nfs/dbraw/zinc/37/56/16/818375616.db2.gz	JEUHTDWEIAYTKP-FHWLQOOXSA-N	1	0	371.481	1.824	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]Cc2nncn2C)CC1	ZINC001029100075	818569806	/nfs/dbraw/zinc/56/98/06/818569806.db2.gz	AWXQAAALORGDTG-UAGQMJEPSA-N	1	0	361.490	1.513	20	30		FDEDRO
C=CCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)[C@H](C)COC	ZINC000664884135	818904072	/nfs/dbraw/zinc/90/40/72/818904072.db2.gz	VKKCAEAHHPJWAD-MGNMYUMUSA-N	1	0	366.506	1.303	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@@H](C)[NH2+]Cc2cnnn2C)CC1	ZINC001029157153	818954349	/nfs/dbraw/zinc/95/43/49/818954349.db2.gz	XTZHBMQRSPNPOD-JLSDUUJJSA-N	1	0	361.490	1.513	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC000937416593	818963481	/nfs/dbraw/zinc/96/34/81/818963481.db2.gz	DGNGXBVWSGZUGO-XYJFISCASA-N	1	0	371.485	1.728	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)cc1	ZINC000520220069	819258779	/nfs/dbraw/zinc/25/87/79/819258779.db2.gz	QIVSETHEXDRYNA-DZGCQCFKSA-N	1	0	371.359	1.441	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)CN2CCCC2=O)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087497947	819318456	/nfs/dbraw/zinc/31/84/56/819318456.db2.gz	QHWUWWVBNTUDIG-RBUKOAKNSA-N	1	0	353.466	1.630	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]Cc1cc(=O)c(OC)co1	ZINC001167991265	819409726	/nfs/dbraw/zinc/40/97/26/819409726.db2.gz	LIHCRJFQQQJCGF-YJBOKZPZSA-N	1	0	364.442	1.616	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C#CC2CC2)[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1	ZINC000983789005	819519996	/nfs/dbraw/zinc/51/99/96/819519996.db2.gz	YLOFIAAWRWYXNR-WBVHZDCISA-N	1	0	368.481	1.918	20	30		FDEDRO
COCC(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1	ZINC000328825585	819555047	/nfs/dbraw/zinc/55/50/47/819555047.db2.gz	RXHJTFGEVKHJPR-SJLPKXTDSA-N	1	0	374.485	1.527	20	30		FDEDRO
O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)N[C@@H]1CCO[C@H]1C1CC1	ZINC000328857829	819568713	/nfs/dbraw/zinc/56/87/13/819568713.db2.gz	XZEMQABEAUVNAJ-QRVBRYPASA-N	1	0	359.470	1.959	20	30		FDEDRO
C[C@@H](CNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C)C[NH+]1CCN(C)CC1	ZINC000328968264	819602217	/nfs/dbraw/zinc/60/22/17/819602217.db2.gz	NSLUDSXDGOYPHQ-LZLYRXPVSA-N	1	0	363.506	1.728	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCN(C(=O)NC2CCCCC2)CC1	ZINC000328972536	819603148	/nfs/dbraw/zinc/60/31/48/819603148.db2.gz	BWPBSKSROMRXGH-INIZCTEOSA-N	1	0	366.506	1.346	20	30		FDEDRO
C[NH+]1CCC2(CCCN2C(=O)NCc2ccc(N3CCOCC3)nc2)CC1	ZINC000328979249	819603933	/nfs/dbraw/zinc/60/39/33/819603933.db2.gz	CSNMSVGJAOXTBA-UHFFFAOYSA-N	1	0	373.501	1.892	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C(=O)CC3(CCCC3)C2=O)C1	ZINC000328984722	819604892	/nfs/dbraw/zinc/60/48/92/819604892.db2.gz	GESCBIVVZLJMTF-OAHLLOKOSA-N	1	0	365.474	1.619	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1	ZINC000983807000	819606498	/nfs/dbraw/zinc/60/64/98/819606498.db2.gz	KGPBMWNYDOTJLV-YCPHGPKFSA-N	1	0	357.458	1.195	20	30		FDEDRO
C[C@@H]1CCN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)[C@@H]1CO	ZINC000331291957	819676341	/nfs/dbraw/zinc/67/63/41/819676341.db2.gz	PTBWTHRLTULBGG-GDBMZVCRSA-N	1	0	368.522	1.230	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C1=O	ZINC000520446053	819681275	/nfs/dbraw/zinc/68/12/75/819681275.db2.gz	OUVXFECEAITFSN-ROUUACIJSA-N	1	0	356.470	1.539	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)CO[C@@H]4CCOC4)[C@@H]3C2)cc1	ZINC001075785070	819787737	/nfs/dbraw/zinc/78/77/37/819787737.db2.gz	QHQZLSZLHKINSH-IPMKNSEASA-N	1	0	355.438	1.396	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCc4ccccc43)C[C@@H]2O)[nH]1	ZINC001083413195	820007446	/nfs/dbraw/zinc/00/74/46/820007446.db2.gz	CSNGRCWJISUMNL-BEVDRBHNSA-N	1	0	364.449	1.781	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](OC)C(C)C)C[C@H]1C(F)(F)F	ZINC001112158217	820133934	/nfs/dbraw/zinc/13/39/34/820133934.db2.gz	YKIHDRZIIOAXRZ-MGPQQGTHSA-N	1	0	352.397	1.839	20	30		FDEDRO
CCCc1ccc(C[N@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)cc1	ZINC001083414160	820152522	/nfs/dbraw/zinc/15/25/22/820152522.db2.gz	PDCIDHPMYIHEJQ-MOPGFXCFSA-N	1	0	352.438	1.814	20	30		FDEDRO
O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H]2CN(CC#Cc3ccccc3)C[C@H]21	ZINC001075800399	820498822	/nfs/dbraw/zinc/49/88/22/820498822.db2.gz	WOXPHXUNGMIYKC-FDFHNCONSA-N	1	0	363.505	1.913	20	30		FDEDRO
C[C@@H]1[C@@H](C)N(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CCN1C	ZINC000442293185	821125517	/nfs/dbraw/zinc/12/55/17/821125517.db2.gz	PCEHUBDILTZNND-HUUCEWRRSA-N	1	0	358.442	1.859	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000521204691	821141573	/nfs/dbraw/zinc/14/15/73/821141573.db2.gz	HRKPELKFMVINSG-ZRNYENFQSA-N	1	0	373.497	1.902	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H](C)n2cncn2)CCN1Cc1ccccc1C#N	ZINC001087546892	821277906	/nfs/dbraw/zinc/27/79/06/821277906.db2.gz	KWLDONJZBWLGJF-FHLIZLRMSA-N	1	0	352.442	1.880	20	30		FDEDRO
COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1	ZINC000521585364	821294168	/nfs/dbraw/zinc/29/41/68/821294168.db2.gz	PFNHSDBYFVSFHE-HLIPFELVSA-N	1	0	361.486	1.477	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C2CN(C(C)=O)C2)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087554377	821434080	/nfs/dbraw/zinc/43/40/80/821434080.db2.gz	DKQFYURWMPMZPQ-DLBZAZTESA-N	1	0	360.483	1.567	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(=O)n(C)o2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087555591	821438164	/nfs/dbraw/zinc/43/81/64/821438164.db2.gz	ROJZOEGPOBXKFB-JKSUJKDBSA-N	1	0	354.410	1.633	20	30		FDEDRO
CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCCN(O)C2=O)C[C@@H]1C(F)(F)F	ZINC000895192287	821605933	/nfs/dbraw/zinc/60/59/33/821605933.db2.gz	HJDFSCTWAJYWPI-USZNOCQGSA-N	1	0	352.353	1.867	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@]2(C)CCNC(=O)C2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087621680	821744771	/nfs/dbraw/zinc/74/47/71/821744771.db2.gz	FFQMZLDUOMXGMX-WAOWUJCRSA-N	1	0	368.481	1.944	20	30		FDEDRO
C=CCN1C(=S)N=NC1Cc1csc(NC(=O)C(=C)C[NH+](C)C)n1	ZINC000843783535	821781237	/nfs/dbraw/zinc/78/12/37/821781237.db2.gz	HBLRLJKDRCWOJU-UHFFFAOYSA-N	1	0	364.500	1.856	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3ccccc3)[C@H]2CC)C1=O	ZINC001087627066	821801464	/nfs/dbraw/zinc/80/14/64/821801464.db2.gz	IUMKIYDPDZSSIC-IPMKNSEASA-N	1	0	355.482	1.985	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CC[N@@H+]1Cc1cc(C#N)ccc1OC	ZINC001087685708	822032606	/nfs/dbraw/zinc/03/26/06/822032606.db2.gz	XFQMQBFTUPGIEW-IXDOHACOSA-N	1	0	370.453	1.172	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087686907	822038514	/nfs/dbraw/zinc/03/85/14/822038514.db2.gz	DOZOTQLIXDQOBZ-YESZJQIVSA-N	1	0	355.442	1.051	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H](N(C)C(=O)[C@]34C[C@H]3CCC4)C2)CC1	ZINC000984302265	822226743	/nfs/dbraw/zinc/22/67/43/822226743.db2.gz	RUMAJNJNLGIZRT-XQBPLPMBSA-N	1	0	371.525	1.971	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H](N(C)C(=O)[C@@H]3C[C@H]3CC)C2)CC1	ZINC000984302637	822227280	/nfs/dbraw/zinc/22/72/80/822227280.db2.gz	UKLFBSWFQIIOKP-NZSAHSFTSA-N	1	0	359.514	1.827	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+]1Cc1ccc(C#N)c(F)c1	ZINC001087729148	822260109	/nfs/dbraw/zinc/26/01/09/822260109.db2.gz	MGOALDCHVCKMTG-YQFWSFKMSA-N	1	0	358.417	1.288	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2c(F)cc(C#N)cc2F)CC1	ZINC000446054223	828411869	/nfs/dbraw/zinc/41/18/69/828411869.db2.gz	OCLABQKIQAYELC-UHFFFAOYSA-N	1	0	364.396	1.509	20	30		FDEDRO
C=C(Br)CN1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@H]1CC	ZINC001087776339	822415658	/nfs/dbraw/zinc/41/56/58/822415658.db2.gz	XCJXGHQUQJKUNO-WCQYABFASA-N	1	0	369.263	1.605	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3[nH]cnc3C)[C@H]2CC)C1=O	ZINC001087810748	822470019	/nfs/dbraw/zinc/47/00/19/822470019.db2.gz	KEYJTXMQFZROAA-UAGQMJEPSA-N	1	0	359.474	1.017	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3cc(C)on3)[C@@H]2CC)CC1	ZINC001087840299	822559743	/nfs/dbraw/zinc/55/97/43/822559743.db2.gz	QHSJKUJBIGRDPJ-RBUKOAKNSA-N	1	0	358.486	1.797	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@H]2C(=O)NCC23CCOCC3)c(C(F)(F)F)c1	ZINC000895770165	822735847	/nfs/dbraw/zinc/73/58/47/822735847.db2.gz	SLIYEQJIWGHTCK-AWEZNQCLSA-N	1	0	353.344	1.962	20	30		FDEDRO
C#CCCCNC(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1	ZINC000840309783	822785718	/nfs/dbraw/zinc/78/57/18/822785718.db2.gz	DRRQDKRCGUOMKW-UHFFFAOYSA-N	1	0	356.470	1.597	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cc4ccoc4)C[C@@H]3C2)C1=O	ZINC001087944274	824047583	/nfs/dbraw/zinc/04/75/83/824047583.db2.gz	RQAIRUXBLGGEBQ-FGTMMUONSA-N	1	0	357.454	1.389	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)/C=C/c4ccc[nH]4)C[C@@H]3C2)C1=O	ZINC001087946162	824077685	/nfs/dbraw/zinc/07/76/85/824077685.db2.gz	BBMIJCXSIAREMD-RJSUEEAMSA-N	1	0	368.481	1.595	20	30		FDEDRO
CO[C@@H]1C[N@H+](CC2CCC(F)(F)CC2)C[C@H]1NC(=O)CSCC#N	ZINC001211886614	824161969	/nfs/dbraw/zinc/16/19/69/824161969.db2.gz	QXMCYQWOGLYICL-ZIAGYGMSSA-N	1	0	361.458	1.884	20	30		FDEDRO
CCn1nncc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)CC[C@@H]2C1	ZINC001087957864	824165798	/nfs/dbraw/zinc/16/57/98/824165798.db2.gz	NDSMWMCXWRSJFZ-MSOLQXFVSA-N	1	0	364.453	1.764	20	30		FDEDRO
C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3cnn(C)c3C#N)cc2)C[C@@H](C)O1	ZINC000474773892	824411013	/nfs/dbraw/zinc/41/10/13/824411013.db2.gz	JPUGCJPWNYUSLR-HUUCEWRRSA-N	1	0	367.453	1.831	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(Br)n[nH]3)C[C@@H]2C1	ZINC001087984421	824460725	/nfs/dbraw/zinc/46/07/25/824460725.db2.gz	ANDUSEXCNDZOPY-NEPJUHHUSA-N	1	0	351.248	1.589	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)N[C@@H](C)C[NH+]2CCCCC2)C1	ZINC000329032965	824540133	/nfs/dbraw/zinc/54/01/33/824540133.db2.gz	LWLXZGZNFCTBPU-ULQDDVLXSA-N	1	0	366.506	1.487	20	30		FDEDRO
CN1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@@H]1c1nc(C2CC2)no1	ZINC000329052244	824548896	/nfs/dbraw/zinc/54/88/96/824548896.db2.gz	RPMABTGBOMCBBW-BZUAXINKSA-N	1	0	374.489	1.776	20	30		FDEDRO
COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CCCC13CC[NH+](C)CC3)CC2	ZINC000329080679	824564822	/nfs/dbraw/zinc/56/48/22/824564822.db2.gz	RMDSPFVNWCYZEV-CQSZACIVSA-N	1	0	362.478	1.214	20	30		FDEDRO
C=CC[N@@H+](C)CCN(CC)CC(=O)NC(=O)Nc1ccc2c(c1)OCO2	ZINC000429715910	828662244	/nfs/dbraw/zinc/66/22/44/828662244.db2.gz	OGOJQDNYFIBAIL-UHFFFAOYSA-N	1	0	362.430	1.503	20	30		FDEDRO
Cc1nc(CN2CCC(CNC(=O)Cn3ncn(C)c3=O)CC2)oc1C	ZINC000329088354	824570880	/nfs/dbraw/zinc/57/08/80/824570880.db2.gz	HWLQYYQBWVGUBU-UHFFFAOYSA-N	1	0	362.434	1.055	20	30		FDEDRO
Cc1nc(Cn2nnc(NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)c2C)no1	ZINC000329126200	824613087	/nfs/dbraw/zinc/61/30/87/824613087.db2.gz	MOSXSQYCTGHVMU-CHWSQXEVSA-N	1	0	360.422	1.279	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C	ZINC000896569647	824631288	/nfs/dbraw/zinc/63/12/88/824631288.db2.gz	VKOBXTQFAQDLFG-AYBZRNKSSA-N	1	0	358.486	1.712	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)c1	ZINC000367371180	828673931	/nfs/dbraw/zinc/67/39/31/828673931.db2.gz	IVFCJMYERXBRRX-UHFFFAOYSA-N	1	0	372.450	1.444	20	30		FDEDRO
CC(C)N1C(=O)N[C@@H]2CN(C(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)CC[C@@H]21	ZINC000329207864	824667218	/nfs/dbraw/zinc/66/72/18/824667218.db2.gz	XUWVLOLKRDQVFO-ZACQAIPSSA-N	1	0	363.506	1.998	20	30		FDEDRO
CC(C)[C@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)c1nncn1C	ZINC000329250736	824695984	/nfs/dbraw/zinc/69/59/84/824695984.db2.gz	XTUSPYDCVWOSLU-HOCLYGCPSA-N	1	0	364.494	1.611	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCC[C@H]2c2noc(C)n2)CC1	ZINC000329344448	824747807	/nfs/dbraw/zinc/74/78/07/824747807.db2.gz	BOOLOKYGUFURAG-ZBFHGGJFSA-N	1	0	364.494	1.703	20	30		FDEDRO
Cn1ccnc(N2CCC[C@@H](NC(=O)CC[C@H]3CCCC[N@@H+]3C)C2)c1=O	ZINC000329344227	824747876	/nfs/dbraw/zinc/74/78/76/824747876.db2.gz	QJUXRDXDGYXOGM-HZPDHXFCSA-N	1	0	361.490	1.970	20	30		FDEDRO
Cc1cc2c[nH]nc2c(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)c1	ZINC000329355429	824752466	/nfs/dbraw/zinc/75/24/66/824752466.db2.gz	YYIMLIYPLAQFLW-MRXNPFEDSA-N	1	0	355.442	1.871	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2c(C)nnn2CC)C1	ZINC001029847307	828683014	/nfs/dbraw/zinc/68/30/14/828683014.db2.gz	QRLMTSCYDXTIPA-NUJGCVRESA-N	1	0	361.490	1.478	20	30		FDEDRO
COC(=O)[C@@H]1[C@@H](C[N@@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)C1(F)F	ZINC000896654317	824771888	/nfs/dbraw/zinc/77/18/88/824771888.db2.gz	OZKWHMQZJVKNDZ-NFAWXSAZSA-N	1	0	350.369	1.884	20	30		FDEDRO
CC(C)c1nc([C@@H]2COCCN2C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)no1	ZINC000329473306	824820254	/nfs/dbraw/zinc/82/02/54/824820254.db2.gz	ANXCLSHZYVDOEP-YUELXQCFSA-N	1	0	363.462	1.963	20	30		FDEDRO
COc1nn(C)cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000474991264	824899469	/nfs/dbraw/zinc/89/94/69/824899469.db2.gz	NAPBCOFOZUCPKW-UHFFFAOYSA-N	1	0	356.430	1.896	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)C[N@H+](C)C1CCC1	ZINC000984790414	824920459	/nfs/dbraw/zinc/92/04/59/824920459.db2.gz	RKPRZTZPFGFKGW-DLBZAZTESA-N	1	0	357.458	1.480	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)CC[C@@H]2C1	ZINC001087992601	824955200	/nfs/dbraw/zinc/95/52/00/824955200.db2.gz	BPDXUASLYIXTFL-SOLBZPMBSA-N	1	0	356.470	1.299	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C(=O)NC)cc2)C1	ZINC000984825022	825030761	/nfs/dbraw/zinc/03/07/61/825030761.db2.gz	RXJMMTVBKUJZGA-OWYHZJEWSA-N	1	0	371.481	1.622	20	30		FDEDRO
CN(C)C(=O)C[NH+]=C(NCc1ccn(C)n1)N[C@H]1CCOc2ccccc21	ZINC000262309053	825050666	/nfs/dbraw/zinc/05/06/66/825050666.db2.gz	PHTAVWQMUNSXHQ-INIZCTEOSA-N	1	0	370.457	1.067	20	30		FDEDRO
CCN1CC[N@H+](CCC(=O)Nc2ccccc2C#N)C[C@@H]1c1ncc[nH]1	ZINC000525827435	828728669	/nfs/dbraw/zinc/72/86/69/828728669.db2.gz	OMAUPWDECHBREH-QGZVFWFLSA-N	1	0	352.442	1.989	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)CC[C@@H]2C1	ZINC001087998348	825078921	/nfs/dbraw/zinc/07/89/21/825078921.db2.gz	CYBRKVKMYBWMFI-LDTOTXGLSA-N	1	0	369.465	1.642	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)CC[C@@H]2C1	ZINC001088004723	825130631	/nfs/dbraw/zinc/13/06/31/825130631.db2.gz	PJOKUGFHCOUHAL-SJORKVTESA-N	1	0	365.437	1.890	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N2CCO[C@H](c3ccnc(N(C)C)n3)C2)CC[N@@H+]1C	ZINC000329680262	825299598	/nfs/dbraw/zinc/29/95/98/825299598.db2.gz	XTYANNHLYGNRGL-FMKPAKJESA-N	1	0	362.478	1.313	20	30		FDEDRO
O=C(c1cn[nH]n1)N1C[C@@H]2C[N@H+](CC#Cc3cccc(Cl)c3)CC[C@@H]2C1	ZINC001088024739	825376536	/nfs/dbraw/zinc/37/65/36/825376536.db2.gz	WLNZTRXGQDFKEZ-CVEARBPZSA-N	1	0	369.856	1.904	20	30		FDEDRO
C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O	ZINC000329767466	825438094	/nfs/dbraw/zinc/43/80/94/825438094.db2.gz	ZOMWKQFYYTZIOX-KBAYOESNSA-N	1	0	371.485	1.655	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3cc(=O)n(CC(C)C)[n-]3)C[C@@H]2C1	ZINC001088030612	825446738	/nfs/dbraw/zinc/44/67/38/825446738.db2.gz	YUBPXGQRQRAXQR-SJORKVTESA-N	1	0	360.502	1.731	20	30		FDEDRO
Cc1c([C@@H]2[C@H](C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@@H]3C)CC(=O)N2C)cnn1C	ZINC000329873310	825518005	/nfs/dbraw/zinc/51/80/05/825518005.db2.gz	BZKFZWAACKMSSD-XBLNEZIDSA-N	1	0	359.474	1.687	20	30		FDEDRO
CO[C@@H]1CN(Cc2cccc(C(C)C)n2)C[C@H]1NC(=O)CSCC#N	ZINC001211888798	825518079	/nfs/dbraw/zinc/51/80/79/825518079.db2.gz	OWGKZFBUVPOXDN-IAGOWNOFSA-N	1	0	362.499	1.777	20	30		FDEDRO
Cc1noc([C@H]2C[C@@H](O)CN2C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)n1	ZINC000329892426	825525446	/nfs/dbraw/zinc/52/54/46/825525446.db2.gz	AGUXQCSTIHPPPQ-AZAGILFBSA-N	1	0	365.478	1.910	20	30		FDEDRO
C[C@H](CNC(=O)C1CCN(c2cnccn2)CC1)C[NH+]1CCN(C)CC1	ZINC000329910003	825541533	/nfs/dbraw/zinc/54/15/33/825541533.db2.gz	MXCAEVCPEMGDJG-MRXNPFEDSA-N	1	0	360.506	1.533	20	30		FDEDRO
Cc1noc([C@H]2C[C@@H](O)CN2C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)n1	ZINC000329910296	825543164	/nfs/dbraw/zinc/54/31/64/825543164.db2.gz	NEKOBZDFVXJVHV-GLKFPVFTSA-N	1	0	365.478	1.766	20	30		FDEDRO
CCN1CCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@@H]1c1ncc[nH]1	ZINC000329929664	825548337	/nfs/dbraw/zinc/54/83/37/825548337.db2.gz	YZOWBVZXJVABAA-QGZVFWFLSA-N	1	0	362.522	1.918	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)N2C[C@H](C)O[C@@]3(CCOC3)C2)CC1	ZINC000329947417	825558795	/nfs/dbraw/zinc/55/87/95/825558795.db2.gz	HAFWYFIGXBPNII-AOIWGVFYSA-N	1	0	368.522	1.054	20	30		FDEDRO
C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@]2(CCOC2)O1	ZINC000329975228	825573118	/nfs/dbraw/zinc/57/31/18/825573118.db2.gz	XZLXPSAZPAPQQS-GJYPPUQNSA-N	1	0	367.490	1.281	20	30		FDEDRO
CC(=O)N1CC[C@H](NC(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)C1	ZINC000329976442	825573237	/nfs/dbraw/zinc/57/32/37/825573237.db2.gz	YSYSKPRSXAUCRV-SFHVURJKSA-N	1	0	373.501	1.555	20	30		FDEDRO
CCN1CCN(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1c1ncc[nH]1	ZINC000329977394	825574020	/nfs/dbraw/zinc/57/40/20/825574020.db2.gz	ZPRTVRVZQAPKJM-IRXDYDNUSA-N	1	0	362.522	1.980	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3coc4c3C(=O)NCCC4)C[C@@H]2C1	ZINC001088047663	825575062	/nfs/dbraw/zinc/57/50/62/825575062.db2.gz	MMNUCKUZECNGRY-CABCVRRESA-N	1	0	355.438	1.373	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3coc4c3C(=O)NCCC4)C[C@@H]2C1	ZINC001088047905	825576240	/nfs/dbraw/zinc/57/62/40/825576240.db2.gz	ZSTLVGKTSNHTNN-CABCVRRESA-N	1	0	357.454	1.926	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)C[C@H]1C	ZINC000330105090	825640437	/nfs/dbraw/zinc/64/04/37/825640437.db2.gz	ICLFUDAMCNBLMK-IJEWVQPXSA-N	1	0	362.478	1.244	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3cn(C)nc3[C@@H]3CCOC3)C[C@@H]2C1	ZINC001088054648	825657774	/nfs/dbraw/zinc/65/77/74/825657774.db2.gz	OXIPUEHBPMSHIQ-ZACQAIPSSA-N	1	0	358.486	1.894	20	30		FDEDRO
COC1CCC(CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1	ZINC000330148180	825678087	/nfs/dbraw/zinc/67/80/87/825678087.db2.gz	UMSANGYGECTLHD-JCYILVPMSA-N	1	0	366.506	1.344	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC(=O)Nc4ccccc43)C[C@@H]2C1	ZINC001088059806	825717712	/nfs/dbraw/zinc/71/77/12/825717712.db2.gz	VJKZUOFSHWXMAA-RYRKJORJSA-N	1	0	351.450	1.916	20	30		FDEDRO
O=C(N[C@H]1CCn2ccnc2C1)N1CCC(CC[NH+]2CCOCC2)CC1	ZINC000330239674	825751346	/nfs/dbraw/zinc/75/13/46/825751346.db2.gz	BFCSPQIGQZXNAC-KRWDZBQOSA-N	1	0	361.490	1.546	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC4CC4)CC[C@@H]3C2)cc1	ZINC001088061962	825752058	/nfs/dbraw/zinc/75/20/58/825752058.db2.gz	HDVYESDFHHVKOY-MSOLQXFVSA-N	1	0	351.450	1.340	20	30		FDEDRO
CC(C)OCCN1CCN(C(=O)N[C@@H]2CCOC3(CCOCC3)C2)CC1	ZINC000330254906	825768097	/nfs/dbraw/zinc/76/80/97/825768097.db2.gz	JPWYFOKHYIBUNY-QGZVFWFLSA-N	1	0	369.506	1.671	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1nnc2n1CCCC2	ZINC000330261211	825777865	/nfs/dbraw/zinc/77/78/65/825777865.db2.gz	OYCYNTFREQSABX-AWEZNQCLSA-N	1	0	362.478	1.214	20	30		FDEDRO
Cc1cnn(-c2c(C(=O)NC[C@H](O)C[NH+]3CCC(C)CC3)c(C)nn2C)c1	ZINC000330302797	825862980	/nfs/dbraw/zinc/86/29/80/825862980.db2.gz	JOBZOWNPXFBQEU-INIZCTEOSA-N	1	0	374.489	1.620	20	30		FDEDRO
C[C@H](CNC(=O)c1ccn(-c2cccc(C#N)c2)n1)C[NH+]1CCN(C)CC1	ZINC000281136952	825897419	/nfs/dbraw/zinc/89/74/19/825897419.db2.gz	DLEPONPTQDSRFM-MRXNPFEDSA-N	1	0	366.469	1.357	20	30		FDEDRO
O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)N[C@@H]1CCCNC1=O	ZINC000330324950	825916387	/nfs/dbraw/zinc/91/63/87/825916387.db2.gz	UJQCEQNVGRRSSD-IAGOWNOFSA-N	1	0	360.458	1.900	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1CC	ZINC000984986099	825985297	/nfs/dbraw/zinc/98/52/97/825985297.db2.gz	FCCPRPKSZDDKOB-JQHSSLGASA-N	1	0	371.485	1.870	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)[C@@H]2CC)CC1	ZINC000984988319	825999152	/nfs/dbraw/zinc/99/91/52/825999152.db2.gz	GZNQNMCYXXAVKI-PXTPFGJHSA-N	1	0	371.525	1.873	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3cc[nH]c3)[C@@H]2CC)CC1	ZINC000984990036	826017553	/nfs/dbraw/zinc/01/75/53/826017553.db2.gz	XEZVFQWFAYPFMU-ZWKOTPCHSA-N	1	0	356.470	1.469	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)C3=COCCC3)[C@H]2C)CC1	ZINC000987444632	832997355	/nfs/dbraw/zinc/99/73/55/832997355.db2.gz	PITLEILYXOTNFB-QAPCUYQASA-N	1	0	359.470	1.132	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1)C(C)C	ZINC000281581146	826054066	/nfs/dbraw/zinc/05/40/66/826054066.db2.gz	QPOJBBOORYUVOO-IBGZPJMESA-N	1	0	370.497	1.930	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1	ZINC000281601078	826075168	/nfs/dbraw/zinc/07/51/68/826075168.db2.gz	MEFRGNKWYOGFRQ-UHFFFAOYSA-N	1	0	367.453	1.975	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1=O	ZINC000281707752	826177697	/nfs/dbraw/zinc/17/76/97/826177697.db2.gz	MODOODAWPPTSSH-LJQANCHMSA-N	1	0	370.497	1.293	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccncc2)[C@@H]1CC	ZINC000985047798	826232502	/nfs/dbraw/zinc/23/25/02/826232502.db2.gz	QWEFTFXGUSZBMV-KSZLIROESA-N	1	0	354.454	1.289	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4(C)CC=CC4)C[C@@H]3C2)C1=O	ZINC001088092279	826339644	/nfs/dbraw/zinc/33/96/44/826339644.db2.gz	ZUNGEBHVQPZIBM-SQNIBIBYSA-N	1	0	357.498	1.910	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(CCC(N)=O)cc3)C[C@@H]2C1	ZINC001088099876	826396404	/nfs/dbraw/zinc/39/64/04/826396404.db2.gz	HXWUQMJBBMEQQM-MOPGFXCFSA-N	1	0	353.466	1.522	20	30		FDEDRO
C[C@]1(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4)CC[C@@H]3C2)CCNC1=O	ZINC001088104286	826408373	/nfs/dbraw/zinc/40/83/73/826408373.db2.gz	BVHXTSLICRKXGP-LQWHRVPQSA-N	1	0	366.465	1.365	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3c4n(c(=O)n3C)CCCC4)C[C@@H]2C1	ZINC001088107245	826421939	/nfs/dbraw/zinc/42/19/39/826421939.db2.gz	OKVPCXTYAXMWBR-CVEARBPZSA-N	1	0	358.486	1.493	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(CN4CCCC4)on3)C[C@@H]2C1	ZINC001088107301	826422391	/nfs/dbraw/zinc/42/23/91/826422391.db2.gz	QSGMLJNLJXZLMC-SJORKVTESA-N	1	0	356.470	1.688	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3c(F)cccc3NC(N)=O)C[C@@H]2C1	ZINC001088123631	826500421	/nfs/dbraw/zinc/50/04/21/826500421.db2.gz	ZGKPEKAPWLBNDN-KGLIPLIRSA-N	1	0	358.417	1.734	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H]3CCN(C(=O)c4cc5n(n4)CCO5)[C@@H]3C2)s1	ZINC001075889704	833061399	/nfs/dbraw/zinc/06/13/99/833061399.db2.gz	SPECPCNVGQGZCW-BLLLJJGKSA-N	1	0	369.450	1.555	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccn4)CC[C@@H]3C2)nn1	ZINC001088135321	826588486	/nfs/dbraw/zinc/58/84/86/826588486.db2.gz	GJOPTCFNMWIIEQ-SJORKVTESA-N	1	0	366.469	1.843	20	30		FDEDRO
C=C(Cl)CN1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@@H]2C1	ZINC001088135984	826600172	/nfs/dbraw/zinc/60/01/72/826600172.db2.gz	OZDUFJFXXJOMGI-WBVHZDCISA-N	1	0	365.909	1.591	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000985153384	826607078	/nfs/dbraw/zinc/60/70/78/826607078.db2.gz	AYFBGDGEBVYOGJ-DOTOQJQBSA-N	1	0	369.469	1.624	20	30		FDEDRO
CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2cc(F)cc(C#N)c2)CC1	ZINC000866907335	826688300	/nfs/dbraw/zinc/68/83/00/826688300.db2.gz	CIHLCCJPUPTUNH-UHFFFAOYSA-N	1	0	369.462	1.865	20	30		FDEDRO
O=C(c1nc[nH]n1)N1C[C@@H]2C[N@H+](CC#Cc3cccc(Cl)c3)CC[C@@H]2C1	ZINC001088144430	826697664	/nfs/dbraw/zinc/69/76/64/826697664.db2.gz	IWXLQJVVJMWPPZ-CVEARBPZSA-N	1	0	369.856	1.904	20	30		FDEDRO
Cc1c(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cnn1CCC#N	ZINC000897055595	826836324	/nfs/dbraw/zinc/83/63/24/826836324.db2.gz	AKBLKCYTLOQNCU-QZTJIDSGSA-N	1	0	359.474	1.603	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCCS(=O)(=O)C3)C[C@@H]2C1	ZINC001088163417	826932324	/nfs/dbraw/zinc/93/23/24/826932324.db2.gz	OCNOXRZMJGHIFN-ZACQAIPSSA-N	1	0	354.516	1.558	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCCS(=O)(=O)C3)C[C@@H]2C1	ZINC001088163416	826932557	/nfs/dbraw/zinc/93/25/57/826932557.db2.gz	OCNOXRZMJGHIFN-BBWFWOEESA-N	1	0	354.516	1.558	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)N1CCN(C(=O)C(C)C)CC1	ZINC000262460302	827014329	/nfs/dbraw/zinc/01/43/29/827014329.db2.gz	XKJURTASFMOHRH-GVDBMIGSSA-N	1	0	364.534	1.956	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCCn2ccnc2C)C[C@H]1C(F)(F)F	ZINC001112179180	827174728	/nfs/dbraw/zinc/17/47/28/827174728.db2.gz	ZRZMLOXQYMOENU-HUUCEWRRSA-N	1	0	356.392	1.974	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CC[C@@H]4CCOC4)CC[C@@H]3C2)nc1	ZINC001088174372	827220602	/nfs/dbraw/zinc/22/06/02/827220602.db2.gz	SSJSWUBOXKQUEB-QRVBRYPASA-N	1	0	353.466	1.883	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](CC(=O)N(C)C4CC4)CC[C@@H]3C2)cn1	ZINC001088175511	827226471	/nfs/dbraw/zinc/22/64/71/827226471.db2.gz	ZYPFBIOAPWSPFZ-SJORKVTESA-N	1	0	366.465	1.078	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3cccc(NC(C)=O)c3)C[C@@H]2C1	ZINC001088176420	827270159	/nfs/dbraw/zinc/27/01/59/827270159.db2.gz	UARAKEHCXSZZHP-MOPGFXCFSA-N	1	0	353.466	1.991	20	30		FDEDRO
C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(=O)n(CCC)n3)C[C@@H]2C1	ZINC001088196329	827408129	/nfs/dbraw/zinc/40/81/29/827408129.db2.gz	BFCGQMMWMZZBNP-CABCVRRESA-N	1	0	364.877	1.800	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cccn4CC)C[C@@H]3C2)C1=O	ZINC001088202588	827453914	/nfs/dbraw/zinc/45/39/14/827453914.db2.gz	KFBYWABLJFNCIR-AOIWGVFYSA-N	1	0	370.497	1.689	20	30		FDEDRO
C=C[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCC3)CC[C@@H]2C1)c1ccccc1	ZINC001088210063	827482692	/nfs/dbraw/zinc/48/26/92/827482692.db2.gz	VYVFJKYWJNCECG-AABGKKOBSA-N	1	0	367.493	1.969	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(=O)CCC)C[C@@H]2C1	ZINC001088210650	827487234	/nfs/dbraw/zinc/48/72/34/827487234.db2.gz	UVWYKDMLPXEYII-QYZOEREBSA-N	1	0	359.514	1.971	20	30		FDEDRO
C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)NCc1nc(C#N)cs1	ZINC000897268299	827565175	/nfs/dbraw/zinc/56/51/75/827565175.db2.gz	XJJGAMOVPUKTMZ-AWEZNQCLSA-N	1	0	363.487	1.800	20	30		FDEDRO
[NH2+]=C(NCCNS(=O)(=O)c1ccccc1)N[C@@H]1CCOc2ccccc21	ZINC000262496844	827601702	/nfs/dbraw/zinc/60/17/02/827601702.db2.gz	KCFWBCYLWLZFHQ-MRXNPFEDSA-N	1	0	374.466	1.393	20	30		FDEDRO
C[N@H+](Cc1cc(C#N)ccc1F)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000985427308	827798026	/nfs/dbraw/zinc/79/80/26/827798026.db2.gz	YDMHRPVZYJUGHS-NVXWUHKLSA-N	1	0	360.389	1.785	20	30		FDEDRO
CCN1C[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)CC1=O	ZINC001075853085	827839674	/nfs/dbraw/zinc/83/96/74/827839674.db2.gz	CHYNLCGTRVDSIP-IPMKNSEASA-N	1	0	366.465	1.459	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C2(C(=O)N(C)C(C)C)CC2)C[C@H]1C(F)(F)F	ZINC001112184778	827861584	/nfs/dbraw/zinc/86/15/84/827861584.db2.gz	FPKIOWRXOFBBOU-CHWSQXEVSA-N	1	0	359.392	1.246	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)[C@H]2CC)cn1	ZINC000985492360	828020934	/nfs/dbraw/zinc/02/09/34/828020934.db2.gz	DRZXZRHJFPNCBK-AYOQOUSVSA-N	1	0	368.481	1.657	20	30		FDEDRO
C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)COc1ccccc1C#N	ZINC000523748154	828264655	/nfs/dbraw/zinc/26/46/55/828264655.db2.gz	BEGBXEHQWDXSNJ-UHFFFAOYSA-N	1	0	361.442	1.669	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(CC(=O)NC3(C#N)CCC3)CC2)cc1	ZINC000526135590	828850635	/nfs/dbraw/zinc/85/06/35/828850635.db2.gz	RCGAUWYXTNMLIY-UHFFFAOYSA-N	1	0	351.454	1.628	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1	ZINC001088348341	828903026	/nfs/dbraw/zinc/90/30/26/828903026.db2.gz	QRQDOHDJAJBUSV-OAGGEKHMSA-N	1	0	371.909	1.913	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]C[C@@H]1COc2ccccc2O1	ZINC001168100769	829202030	/nfs/dbraw/zinc/20/20/30/829202030.db2.gz	GVJLZPKVVDWXTO-GJYPPUQNSA-N	1	0	360.454	1.904	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(C#N)n3C)cn2)CC1	ZINC000448720357	829217358	/nfs/dbraw/zinc/21/73/58/829217358.db2.gz	PYWGEDQSSNNCAE-UHFFFAOYSA-N	1	0	352.442	1.364	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+][C@@H]1CCN(C(C)(C)C)C1=O	ZINC001168101868	829239551	/nfs/dbraw/zinc/23/95/51/829239551.db2.gz	YPJICZXJOHBDIK-XHSDSOJGSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C(=O)NCCC[NH+](CC)CC)CC1	ZINC000448974834	829319502	/nfs/dbraw/zinc/31/95/02/829319502.db2.gz	MLJFXEWAVVIEBL-MSOLQXFVSA-N	1	0	365.518	1.664	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@H]2CCCCCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1	ZINC001088383207	829363690	/nfs/dbraw/zinc/36/36/90/829363690.db2.gz	YASPDGKLHHXVOM-KSZLIROESA-N	1	0	354.454	1.540	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(C[C@@H](O)COc3ccccc3C#N)CC2)C1	ZINC000528418327	829396482	/nfs/dbraw/zinc/39/64/82/829396482.db2.gz	UVCYEJZJUBNUOX-RBUKOAKNSA-N	1	0	358.486	1.010	20	30		FDEDRO
O=C1C[C@@H]([C@H]2CCCC[N@@H+]2CC#CCN2C(=O)c3ccccc3C2=O)CN1	ZINC000528431300	829400907	/nfs/dbraw/zinc/40/09/07/829400907.db2.gz	VMZRQVNOSRTROW-CRAIPNDOSA-N	1	0	365.433	1.277	20	30		FDEDRO
C[C@@H]1CN(C[C@H](O)COc2ccccc2C#N)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000528431893	829400956	/nfs/dbraw/zinc/40/09/56/829400956.db2.gz	NTHBTUZXIGEBFX-YZGWKJHDSA-N	1	0	372.513	1.256	20	30		FDEDRO
COCCO[C@H]1CCC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000528422799	829403519	/nfs/dbraw/zinc/40/35/19/829403519.db2.gz	JUKXFTULKJVHKL-INIZCTEOSA-N	1	0	356.422	1.413	20	30		FDEDRO
Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2C[C@@H](O)COc2ccccc2C#N)cn1	ZINC000528433956	829409897	/nfs/dbraw/zinc/40/98/97/829409897.db2.gz	UCNNVDOVCNLLIY-IPMKNSEASA-N	1	0	370.453	1.620	20	30		FDEDRO
CN(C)C(=O)CC1CC[NH+](CC#CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000528438251	829410717	/nfs/dbraw/zinc/41/07/17/829410717.db2.gz	BASVYGXZNVQDNR-UHFFFAOYSA-N	1	0	367.449	1.476	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)CN1CCN(c2cc(C3CC3)[nH]n2)CC1	ZINC000528463071	829416066	/nfs/dbraw/zinc/41/60/66/829416066.db2.gz	FMIFNYZZKIZWIF-QGZVFWFLSA-N	1	0	367.453	1.721	20	30		FDEDRO
CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@H](O)COc3ccccc3C#N)[C@H]2C1	ZINC000528500720	829428388	/nfs/dbraw/zinc/42/83/88/829428388.db2.gz	CRHZIZMLXRFNEG-VJANTYMQSA-N	1	0	357.454	1.535	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]Cc2cnnn2C)C1	ZINC001088397372	829462387	/nfs/dbraw/zinc/46/23/87/829462387.db2.gz	GORIYGAQXGKBRD-SZMVWBNQSA-N	1	0	361.490	1.657	20	30		FDEDRO
N#Cc1ccc(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cn1	ZINC000528917950	829619228	/nfs/dbraw/zinc/61/92/28/829619228.db2.gz	MQTWRFWERMAFDB-UYAOXDASSA-N	1	0	364.449	1.495	20	30		FDEDRO
N#Cc1c(F)cccc1N1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1	ZINC000529354582	829843221	/nfs/dbraw/zinc/84/32/21/829843221.db2.gz	FKUDOEHAKJVLLL-KRWDZBQOSA-N	1	0	357.433	1.814	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cncnc2C2CC2)C[C@H]1C(F)(F)F	ZINC001112200197	830048969	/nfs/dbraw/zinc/04/89/69/830048969.db2.gz	PUOQURDICRJNHQ-ZIAGYGMSSA-N	1	0	352.360	1.970	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCc2ccnc(-n3cccn3)c2)cc1OC	ZINC000303894434	830335677	/nfs/dbraw/zinc/33/56/77/830335677.db2.gz	OUOOYIASRCFYHL-UHFFFAOYSA-N	1	0	366.425	1.889	20	30		FDEDRO
COc1ccc(C#N)cc1CN1CC[C@H](NC(=O)C2=COCCO2)[C@H]1C	ZINC001088454828	830369859	/nfs/dbraw/zinc/36/98/59/830369859.db2.gz	KNDWIEKVKVLMGG-CJNGLKHVSA-N	1	0	357.410	1.534	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1Cc2ccccc2C[C@H]1C(=O)OC	ZINC000451684461	830427389	/nfs/dbraw/zinc/42/73/89/830427389.db2.gz	XSJBTXIFBHEDIZ-SQNIBIBYSA-N	1	0	358.438	1.436	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1	ZINC000986082738	830584873	/nfs/dbraw/zinc/58/48/73/830584873.db2.gz	HUVUCPDVCHFZRR-QYZOEREBSA-N	1	0	357.498	1.580	20	30		FDEDRO
N#Cc1cccc(-n2ccc(C(=O)NC[C@@H]3CCC[N@H+]3CCCO)n2)c1	ZINC000452360368	830626457	/nfs/dbraw/zinc/62/64/57/830626457.db2.gz	IRUCXNPYHCZXMH-KRWDZBQOSA-N	1	0	353.426	1.321	20	30		FDEDRO
CC(C)C(=O)NCCCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000305277510	830635131	/nfs/dbraw/zinc/63/51/31/830635131.db2.gz	ADUSIPZSQDDKLV-AWEZNQCLSA-N	1	0	367.494	1.029	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1	ZINC000531319867	830692250	/nfs/dbraw/zinc/69/22/50/830692250.db2.gz	AGRRXDYRHJJQBV-MRXNPFEDSA-N	1	0	358.442	1.014	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(NC(N)=O)cc2)C[C@H]1C(F)(F)F	ZINC001112203868	830891773	/nfs/dbraw/zinc/89/17/73/830891773.db2.gz	NWPNQEOBEIIZJG-ZIAGYGMSSA-N	1	0	368.359	1.793	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)ccc1C#N	ZINC000453690144	831007202	/nfs/dbraw/zinc/00/72/02/831007202.db2.gz	IBNAIPFPUYIAJN-UHFFFAOYSA-N	1	0	369.400	1.588	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cnsn2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088480400	831030684	/nfs/dbraw/zinc/03/06/84/831030684.db2.gz	BKLVOGYDYUQCAP-DOMZBBRYSA-N	1	0	357.439	1.833	20	30		FDEDRO
C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)C[C@H]2C1	ZINC000453728096	831043301	/nfs/dbraw/zinc/04/33/01/831043301.db2.gz	CCMBHGRTFWZXKR-GASCZTMLSA-N	1	0	370.453	1.694	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)cc1	ZINC000986131850	831075753	/nfs/dbraw/zinc/07/57/53/831075753.db2.gz	TWLKKJYJFRKQHZ-UXHICEINSA-N	1	0	365.477	1.684	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)CC[C@@H]3C2)CC[N@@H+]1C	ZINC000986189497	831260309	/nfs/dbraw/zinc/26/03/09/831260309.db2.gz	FGZCPDAGYMZKKG-PNBKFKSVSA-N	1	0	369.469	1.147	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)[C@@H](F)CC)CC[C@@H]3C2)CC1	ZINC000986244937	831353954	/nfs/dbraw/zinc/35/39/54/831353954.db2.gz	DXRXDQNPXCZDPU-SQNIBIBYSA-N	1	0	363.477	1.387	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)CC[C@@H]3C2)C1	ZINC000986421807	831652440	/nfs/dbraw/zinc/65/24/40/831652440.db2.gz	MGQZTQHLLVPOAI-OIISXLGYSA-N	1	0	369.469	1.149	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)CC[C@@H]3C2)cc1	ZINC000986470158	831730074	/nfs/dbraw/zinc/73/00/74/831730074.db2.gz	HXZFFBCVMPYQLF-UXHICEINSA-N	1	0	365.477	1.684	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)CC[C@@H]3C2)cn1	ZINC000986459643	831746099	/nfs/dbraw/zinc/74/60/99/831746099.db2.gz	LCEVVDFFKACKEV-ZIFCJYIRSA-N	1	0	366.465	1.078	20	30		FDEDRO
CC#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1	ZINC001105429210	831851913	/nfs/dbraw/zinc/85/19/13/831851913.db2.gz	QXQYPFQUAWGLER-RQGSJKACSA-N	1	0	369.509	1.535	20	30		FDEDRO
CC1CC[NH+](CC(=O)N2C[C@H]3CCN(C(=O)C#CC4CC4)C[C@H]3C2)CC1	ZINC000986565386	831933237	/nfs/dbraw/zinc/93/32/37/831933237.db2.gz	XJPDCQAHVVAZFM-MOPGFXCFSA-N	1	0	357.498	1.439	20	30		FDEDRO
C#Cc1cncc(C(=O)NCC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC001059731957	832046957	/nfs/dbraw/zinc/04/69/57/832046957.db2.gz	GPWNFMPIQGEYBU-HHXXYDBFSA-N	1	0	368.481	1.372	20	30		FDEDRO
C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC000986888768	832290016	/nfs/dbraw/zinc/29/00/16/832290016.db2.gz	HBVSAKLCUUZNIP-JJRVBVJISA-N	1	0	371.485	1.583	20	30		FDEDRO
COc1ccc(C#N)cc1CN1CC[C@H](NC(=O)C[C@H]2COC(=O)C2)[C@H]1C	ZINC001088523091	832410200	/nfs/dbraw/zinc/41/02/00/832410200.db2.gz	QYGFURWVDOVRBA-UNEWFSDZSA-N	1	0	371.437	1.599	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1	ZINC001059790366	832752138	/nfs/dbraw/zinc/75/21/38/832752138.db2.gz	PTLSMBVITVAINA-BBWFWOEESA-N	1	0	351.491	1.273	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCCCO3)[C@H]2C)CC1	ZINC000987608169	833475525	/nfs/dbraw/zinc/47/55/25/833475525.db2.gz	OHWZWRVPNWPOHX-NJAFHUGGSA-N	1	0	361.486	1.006	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C#N)c2)CCN1c1cc[nH+]cc1	ZINC000897434624	833648687	/nfs/dbraw/zinc/64/86/87/833648687.db2.gz	XAHVBEPDRBJMTD-OAHLLOKOSA-N	1	0	363.421	1.307	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@@H]1C	ZINC000987965138	833875511	/nfs/dbraw/zinc/87/55/11/833875511.db2.gz	YVHSVDHDYWUHTG-FHLIZLRMSA-N	1	0	371.485	1.868	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@H](CN(C)C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000988033311	833905647	/nfs/dbraw/zinc/90/56/47/833905647.db2.gz	WAKDCYSMPGLBED-IIAWOOMASA-N	1	0	357.458	1.147	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](CN(C)C(=O)[C@]34C[C@H]3CCC4)C2)CC1	ZINC000988067839	833991367	/nfs/dbraw/zinc/99/13/67/833991367.db2.gz	WJLYWOGPPHQPQA-SFGWALBWSA-N	1	0	371.525	1.829	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H](CN(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC000988172705	834153383	/nfs/dbraw/zinc/15/33/83/834153383.db2.gz	VXMRWEQSDNPZLK-JTDSTZFVSA-N	1	0	368.481	1.324	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C)c1	ZINC000988192467	834214658	/nfs/dbraw/zinc/21/46/58/834214658.db2.gz	AIZRSAJLCBHBEF-ZMYBRWDISA-N	1	0	366.465	1.124	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3CC)C2)CC1	ZINC000988371431	834696514	/nfs/dbraw/zinc/69/65/14/834696514.db2.gz	KNDMBQJDFCQLQO-ZHALLVOQSA-N	1	0	359.514	1.685	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)n(CCC#N)n1	ZINC000532616451	834756426	/nfs/dbraw/zinc/75/64/26/834756426.db2.gz	HNWWPOHKEKJDDX-UHFFFAOYSA-N	1	0	374.489	1.815	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1)C(C)C	ZINC000897477802	835017287	/nfs/dbraw/zinc/01/72/87/835017287.db2.gz	VMWPREVBEGCBFS-MHORFTMASA-N	1	0	363.502	1.031	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)n(CCC#N)n1	ZINC000532996763	835612669	/nfs/dbraw/zinc/61/26/69/835612669.db2.gz	UPHGFDJPPQSRMN-HUUCEWRRSA-N	1	0	360.462	1.423	20	30		FDEDRO
N#Cc1cccnc1OC1CCC(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1	ZINC000897504520	835641784	/nfs/dbraw/zinc/64/17/84/835641784.db2.gz	JBBFAPMFFXRMCX-LXPRWKDFSA-N	1	0	370.453	1.480	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1	ZINC000988532029	835777593	/nfs/dbraw/zinc/77/75/93/835777593.db2.gz	HGKIKQKOPDWSHT-KSZLIROESA-N	1	0	363.502	1.226	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C)C1	ZINC000988534078	835807669	/nfs/dbraw/zinc/80/76/69/835807669.db2.gz	ZUIDHESBFQDAMF-VKJFTORMSA-N	1	0	371.485	1.583	20	30		FDEDRO
CC[NH+](CC)Cc1ccccc1-n1c(N)c(C#N)c(N)nc1=NC1CC1	ZINC001211989629	835922850	/nfs/dbraw/zinc/92/28/50/835922850.db2.gz	VGLVSKFENGCBPU-UHFFFAOYSA-N	1	0	351.458	1.813	20	30		FDEDRO
COc1nccc(CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)n1	ZINC000455167448	835925602	/nfs/dbraw/zinc/92/56/02/835925602.db2.gz	NBWNBRVUQHHASQ-UHFFFAOYSA-N	1	0	366.425	1.384	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCCCC[N@@H+](C)C1CC1	ZINC000455149647	835927762	/nfs/dbraw/zinc/92/77/62/835927762.db2.gz	RJPIGHNFMBCTRE-UHFFFAOYSA-N	1	0	367.457	2.443	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)C3(C4CC4)CC3)[C@H]2C)CC1	ZINC000988591729	836106543	/nfs/dbraw/zinc/10/65/43/836106543.db2.gz	FKWFTJKFYXOVJB-QAPCUYQASA-N	1	0	357.498	1.627	20	30		FDEDRO
C=CCc1ccc(OCC(=O)NCC2(COC)CC[NH2+]CC2)c(OC)c1	ZINC000261788360	837300820	/nfs/dbraw/zinc/30/08/20/837300820.db2.gz	UCRVWWDXUKOMIK-UHFFFAOYSA-N	1	0	362.470	1.935	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CCN1C(=O)C#CC1CC1	ZINC000989020356	838178912	/nfs/dbraw/zinc/17/89/12/838178912.db2.gz	XYJNZGGCWMMRDX-UZLBHIALSA-N	1	0	367.493	1.923	20	30		FDEDRO
C#CCC[NH+]1CCN(Cc2nnnn2-c2ccc(OC(F)F)cc2)CC1	ZINC000272019445	838428311	/nfs/dbraw/zinc/42/83/11/838428311.db2.gz	MJCWXVOKCYHPIU-UHFFFAOYSA-N	1	0	362.384	1.405	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CC#CC)C3)[C@@H]2C(C)C)nc1	ZINC001105670025	844346570	/nfs/dbraw/zinc/34/65/70/844346570.db2.gz	WYTIJMPUBBOGHB-XWSHUIEDSA-N	1	0	365.477	1.666	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]C2(C(N)=O)C3CC4CC(C3)CC2C4)cc1	ZINC000459792400	838949542	/nfs/dbraw/zinc/94/95/42/838949542.db2.gz	UOQBOJUUUMYHJU-OSGAYYLLSA-N	1	0	369.465	1.568	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1	ZINC000460018641	839213904	/nfs/dbraw/zinc/21/39/04/839213904.db2.gz	JNDWFKFQTODHFL-FUHWJXTLSA-N	1	0	357.454	1.372	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC[NH+](C)C	ZINC000460036512	839244706	/nfs/dbraw/zinc/24/47/06/839244706.db2.gz	OFBLWSUBSOBEOX-APWZRJJASA-N	1	0	373.497	1.599	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@]2(C)CCNC(=O)C2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088657804	839425867	/nfs/dbraw/zinc/42/58/67/839425867.db2.gz	UFFCFUMKMKFPFR-CFLQYTFWSA-N	1	0	354.454	1.554	20	30		FDEDRO
Cn1nc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000476063147	839592964	/nfs/dbraw/zinc/59/29/64/839592964.db2.gz	LOMZCSLSBYJCOR-UHFFFAOYSA-N	1	0	356.386	1.404	20	30		FDEDRO
N#CC1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1	ZINC000479545304	844468378	/nfs/dbraw/zinc/46/83/78/844468378.db2.gz	MARGNAKFQGETON-GOSISDBHSA-N	1	0	354.454	1.529	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(CCC([NH2+]CCCOC)CC2)C1	ZINC001105482062	839776723	/nfs/dbraw/zinc/77/67/23/839776723.db2.gz	RTANCHHLEOILQA-NNVNDSJASA-N	1	0	366.502	1.744	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1cccc(F)c1)C2	ZINC001111495198	839800843	/nfs/dbraw/zinc/80/08/43/839800843.db2.gz	OLZUUZZBVFGLJV-AXUOBQJMSA-N	1	0	371.456	1.475	20	30		FDEDRO
C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCC1	ZINC001105552112	839954682	/nfs/dbraw/zinc/95/46/82/839954682.db2.gz	XDHUWSDGUORPTH-CADBVGFASA-N	1	0	360.498	1.812	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105585423	839994788	/nfs/dbraw/zinc/99/47/88/839994788.db2.gz	PCZKZIUZVYBOOJ-YKCBXCCJSA-N	1	0	363.502	1.055	20	30		FDEDRO
COCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC#Cc3ccccc3)C2)[C@H]1C(C)C	ZINC001105579040	839997786	/nfs/dbraw/zinc/99/77/86/839997786.db2.gz	KGOKMCNDAORQFJ-CZAYHTPWSA-N	1	0	370.493	1.651	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccccc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105588657	840086338	/nfs/dbraw/zinc/08/63/38/840086338.db2.gz	ZLQJDFXKVSTQGU-JBPLPALLSA-N	1	0	370.493	1.916	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3=COCCO3)[C@H]2C(C)C)C[C@H]1O	ZINC001105589856	840117350	/nfs/dbraw/zinc/11/73/50/840117350.db2.gz	GHVGSOLBJIEHLT-ZTRFORPCSA-N	1	0	364.486	1.807	20	30		FDEDRO
C[C@@H](C[NH+](C)C)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N	ZINC000897761126	840324966	/nfs/dbraw/zinc/32/49/66/840324966.db2.gz	YJBYWMIIWCYIFC-RQMAVPSVSA-N	1	0	364.490	1.840	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(C)c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105595126	840587714	/nfs/dbraw/zinc/58/77/14/840587714.db2.gz	YIZLTRCGQHLVBO-SOAMZJECSA-N	1	0	358.486	1.332	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(C)c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105595125	840587822	/nfs/dbraw/zinc/58/78/22/840587822.db2.gz	YIZLTRCGQHLVBO-MLYOOKFZSA-N	1	0	358.486	1.332	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)nn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105600982	841028331	/nfs/dbraw/zinc/02/83/31/841028331.db2.gz	QHYBLHMHMGCRSW-DLVXIWMQSA-N	1	0	360.502	1.884	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N(C)CCN(C)c2nc(C#N)c(Cl)s2)O1	ZINC001105602524	841131254	/nfs/dbraw/zinc/13/12/54/841131254.db2.gz	FWLLUWGOORPHOH-ZYHUDNBSSA-N	1	0	371.894	1.282	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCOCC(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105603450	841170829	/nfs/dbraw/zinc/17/08/29/841170829.db2.gz	KKDSZJCOVBZILG-IZBJGVDFSA-N	1	0	350.503	1.648	20	30		FDEDRO
C=CCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)N3CCC3)C2)[C@@H]1C(C)C	ZINC001105604104	841174335	/nfs/dbraw/zinc/17/43/35/841174335.db2.gz	RMRLIGLEANTXSU-YKCBXCCJSA-N	1	0	363.502	1.151	20	30		FDEDRO
CC(C)(C)OC(=O)CCN[NH+]=Cc1c(N2CCOCC2)nc2ccccn21	ZINC000783863992	841371740	/nfs/dbraw/zinc/37/17/40/841371740.db2.gz	QMFLZKXZBGWHNO-UHFFFAOYSA-N	1	0	373.457	1.826	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(=O)n(C)c2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088695247	841448203	/nfs/dbraw/zinc/44/82/03/841448203.db2.gz	HSQKISLZUKVMIV-KDOFPFPSSA-N	1	0	350.422	1.650	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)CCc3cncn3C)[C@@H]2C)c1	ZINC000989801712	841472155	/nfs/dbraw/zinc/47/21/55/841472155.db2.gz	VUAATCZNUVTKEI-KDOFPFPSSA-N	1	0	365.437	1.148	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3CCOCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105610103	841572928	/nfs/dbraw/zinc/57/29/28/841572928.db2.gz	HUBDERALQOJCFX-RMVXJAJNSA-N	1	0	362.514	1.793	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3CCOCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105610104	841572949	/nfs/dbraw/zinc/57/29/49/841572949.db2.gz	HUBDERALQOJCFX-UKAVVXHISA-N	1	0	362.514	1.793	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cc(C)on3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105610146	841578048	/nfs/dbraw/zinc/57/80/48/841578048.db2.gz	IIITYQCDWIJTIN-HNBVOPMISA-N	1	0	359.470	1.515	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3nocc3C)[C@H]2C)CC1	ZINC000989954678	841688512	/nfs/dbraw/zinc/68/85/12/841688512.db2.gz	HJIPRFGIHNERHV-ZBFHGGJFSA-N	1	0	358.442	1.047	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncc(C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105610726	841688524	/nfs/dbraw/zinc/68/85/24/841688524.db2.gz	MTJVEVHBTLGUCR-ANTGDGSKSA-N	1	0	355.482	1.993	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@H]1C	ZINC000990006385	841805940	/nfs/dbraw/zinc/80/59/40/841805940.db2.gz	SOEHWNRODTXZHF-BBWFWOEESA-N	1	0	358.486	1.735	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccncc3F)[C@@H]2C(C)C)C[C@H]1O	ZINC001105611549	841897113	/nfs/dbraw/zinc/89/71/13/841897113.db2.gz	SLKYEVWUYIBVEV-MLYOOKFZSA-N	1	0	359.445	1.824	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105612220	841977116	/nfs/dbraw/zinc/97/71/16/841977116.db2.gz	YONOEAWDEIXTIA-IZBJGVDFSA-N	1	0	368.518	1.582	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cnn3c2OCCC3)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088705687	842035020	/nfs/dbraw/zinc/03/50/20/842035020.db2.gz	NFXOHYUOKGLION-KDOFPFPSSA-N	1	0	365.437	1.930	20	30		FDEDRO
C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2ccnc(C#N)c2)c1	ZINC000476716271	842084478	/nfs/dbraw/zinc/08/44/78/842084478.db2.gz	MBNHQWLFXFAACU-UHFFFAOYSA-N	1	0	373.438	1.045	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C	ZINC000476856187	842184001	/nfs/dbraw/zinc/18/40/01/842184001.db2.gz	LUPAAAGJDTVUBM-GJZGRUSLSA-N	1	0	361.490	1.260	20	30		FDEDRO
C=CCN1CC[C@@H](N2CC[C@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@H]2C)C1=O	ZINC001088710428	842191867	/nfs/dbraw/zinc/19/18/67/842191867.db2.gz	NDZOGFCCYYKBSZ-FHLIZLRMSA-N	1	0	367.453	1.314	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CNC(=O)CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105615425	842231044	/nfs/dbraw/zinc/23/10/44/842231044.db2.gz	UVMNRLFXRQPFLR-SMOSDQRPSA-N	1	0	365.518	1.445	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cccnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105618766	842234287	/nfs/dbraw/zinc/23/42/87/842234287.db2.gz	ALYDPACIAQQJHW-VURPSTOHSA-N	1	0	355.482	1.614	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C#N)[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105619033	842234776	/nfs/dbraw/zinc/23/47/76/842234776.db2.gz	DTYFTZRTMXRAGY-FTEYMNFISA-N	1	0	354.454	1.489	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nccn3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105623886	842252416	/nfs/dbraw/zinc/25/24/16/842252416.db2.gz	UQKBCHUBYBRVEF-PDOICOKGSA-N	1	0	358.486	1.506	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nn(C)cc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105626532	842256865	/nfs/dbraw/zinc/25/68/65/842256865.db2.gz	CMNCXODNXUDWIE-ZTRFORPCSA-N	1	0	358.486	1.332	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncn(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105626793	842257538	/nfs/dbraw/zinc/25/75/38/842257538.db2.gz	HQDPIJLKAQKSKM-JEWRLFTDSA-N	1	0	361.490	1.361	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C)nn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105628203	842261161	/nfs/dbraw/zinc/26/11/61/842261161.db2.gz	SOQKLBUTUCFFKI-SOAMZJECSA-N	1	0	358.486	1.941	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3nnc(C)[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105628840	842262188	/nfs/dbraw/zinc/26/21/88/842262188.db2.gz	YLKSFIUKVJSWLN-LTDCPUDJSA-N	1	0	361.490	1.198	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(COC)CCCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105636849	842269136	/nfs/dbraw/zinc/26/91/36/842269136.db2.gz	FKLGLANEGCLLKZ-WIRSXHRWSA-N	1	0	362.514	1.793	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)ncn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105636957	842269403	/nfs/dbraw/zinc/26/94/03/842269403.db2.gz	HJEGMYTYRFFEET-ZTRFORPCSA-N	1	0	358.486	1.332	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3n[nH]c4c3CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001105637803	842273922	/nfs/dbraw/zinc/27/39/22/842273922.db2.gz	VXTFJAHMFOIIHA-REHHDOPLSA-N	1	0	370.497	1.501	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@@H]1C(C)C	ZINC001105633415	842282115	/nfs/dbraw/zinc/28/21/15/842282115.db2.gz	UFWZIOASDPMCBV-XNWVLMOPSA-N	1	0	351.491	1.040	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3ccncn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105633943	842283043	/nfs/dbraw/zinc/28/30/43/842283043.db2.gz	YAPLAEVOOJJEOB-UKAVVXHISA-N	1	0	370.497	1.399	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105642895	842321120	/nfs/dbraw/zinc/32/11/20/842321120.db2.gz	OKMOSTZNQVCUTF-FTEYMNFISA-N	1	0	358.486	1.941	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccc(=O)[nH]c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105642980	842326708	/nfs/dbraw/zinc/32/67/08/842326708.db2.gz	PULMQWJPZYIKIC-DGQTTZFYSA-N	1	0	371.481	1.319	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC#CCOC)C2)[C@H]1C(C)C	ZINC001105645469	842394867	/nfs/dbraw/zinc/39/48/67/842394867.db2.gz	BBDYNFZCKQHICS-IKVWTGGYSA-N	1	0	362.514	1.815	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3n[nH]nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105647557	842413651	/nfs/dbraw/zinc/41/36/51/842413651.db2.gz	RYQWUMARSBRFEO-FXRXJOCMSA-N	1	0	361.490	1.659	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cscn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105655865	842479104	/nfs/dbraw/zinc/47/91/04/842479104.db2.gz	LTAVTMCNLZTLGS-FPAYPSAMSA-N	1	0	361.511	1.675	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3=CCOCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105655890	842479266	/nfs/dbraw/zinc/47/92/66/842479266.db2.gz	LUIBBYOQRLSWCT-VURPSTOHSA-N	1	0	360.498	1.713	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3conc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105655361	842483175	/nfs/dbraw/zinc/48/31/75/842483175.db2.gz	HRWHTPPLONRNER-MLYOOKFZSA-N	1	0	359.470	1.840	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@H]1C(C)C	ZINC001105656550	842487217	/nfs/dbraw/zinc/48/72/17/842487217.db2.gz	QXGDTPNXCDXVQH-NPNMTCQASA-N	1	0	351.491	1.040	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnoc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105656186	842491270	/nfs/dbraw/zinc/49/12/70/842491270.db2.gz	NMJLFPJHJMZADU-QQTQMKHKSA-N	1	0	359.470	1.840	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cnc[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105657373	842494265	/nfs/dbraw/zinc/49/42/65/842494265.db2.gz	YNPMQTNDMUMVRI-HNBVOPMISA-N	1	0	360.502	1.885	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC#CCOC)C2)[C@@H]1C(C)C	ZINC001105660459	842532673	/nfs/dbraw/zinc/53/26/73/842532673.db2.gz	VHUHBFVXCGBGDF-RMVXJAJNSA-N	1	0	362.514	1.959	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnc(C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105662020	842733204	/nfs/dbraw/zinc/73/32/04/842733204.db2.gz	MDZSBTWHASLETL-ANTGDGSKSA-N	1	0	355.482	1.993	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000425875424	842792861	/nfs/dbraw/zinc/79/28/61/842792861.db2.gz	ABSNTVMXRZMZGA-KANFNMMFSA-N	1	0	371.481	1.330	20	30		FDEDRO
C=C(C)Cn1c(COCC)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1	ZINC000460804276	842847965	/nfs/dbraw/zinc/84/79/65/842847965.db2.gz	IQPHAQIEHTXNLO-UHFFFAOYSA-N	1	0	373.505	1.837	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2c2nccs2)[C@@H](O)C1	ZINC001083669859	861383245	/nfs/dbraw/zinc/38/32/45/861383245.db2.gz	YDXTVJIVGNKRPC-ILXRZTDVSA-N	1	0	350.488	1.239	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Nc1cccc(CC#N)c1	ZINC000455920044	843153872	/nfs/dbraw/zinc/15/38/72/843153872.db2.gz	NDHSALCOEMUTSB-QGZVFWFLSA-N	1	0	357.458	1.817	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)CN4CCCNC4=O)[C@@H]3C2)c1	ZINC001075985898	843237186	/nfs/dbraw/zinc/23/71/86/843237186.db2.gz	WVGSQNYGNLMVQJ-ZWKOTPCHSA-N	1	0	367.453	1.006	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N[C@H]2CCC[C@@H]2C#N)c1	ZINC000461965946	843260292	/nfs/dbraw/zinc/26/02/92/843260292.db2.gz	ZVCZSUXNUMYZFL-SJORKVTESA-N	1	0	357.458	1.469	20	30		FDEDRO
O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000667264306	843469819	/nfs/dbraw/zinc/46/98/19/843469819.db2.gz	JBHYUSCMGDFMNG-IBGZPJMESA-N	1	0	362.433	1.678	20	30		FDEDRO
C[C@@H](CCC#N)C[NH2+][C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1	ZINC000898530189	844825405	/nfs/dbraw/zinc/82/54/05/844825405.db2.gz	YWRILOVLUXHEBF-UONOGXRCSA-N	1	0	350.463	1.736	20	30		FDEDRO
CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)C1	ZINC000898566143	844872378	/nfs/dbraw/zinc/87/23/78/844872378.db2.gz	FUGDFDNRLKKVCZ-FQEVSTJZSA-N	1	0	368.481	1.706	20	30		FDEDRO
C#CCN(C(=O)NC[C@]1(c2cnn(C)c2)CCCO1)C1CC[NH+](C)CC1	ZINC000898652148	844977665	/nfs/dbraw/zinc/97/76/65/844977665.db2.gz	SXPXVLXZWPRSSH-IBGZPJMESA-N	1	0	359.474	1.165	20	30		FDEDRO
CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N(C)CCc2cccc(C#N)c2)C1	ZINC000913179430	861600735	/nfs/dbraw/zinc/60/07/35/861600735.db2.gz	IRPIOYTUBNIFQA-SFHVURJKSA-N	1	0	357.454	1.834	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)C3C[NH+](C4CCOCC4)C3)CC2)cc1	ZINC000899159645	845862164	/nfs/dbraw/zinc/86/21/64/845862164.db2.gz	HUSDMFLXTLGVCI-UHFFFAOYSA-N	1	0	354.454	1.318	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1	ZINC000899161593	845895332	/nfs/dbraw/zinc/89/53/32/845895332.db2.gz	MPFMBLIYMDVBGR-UHFFFAOYSA-N	1	0	370.497	1.702	20	30		FDEDRO
C#CCN1C(=O)C[C@H]([N@@H+]2CCC[C@H](C(=O)Nc3ccccc3OC)C2)C1=O	ZINC000899245793	845991145	/nfs/dbraw/zinc/99/11/45/845991145.db2.gz	VNHITNVCRYNMOB-HOCLYGCPSA-N	1	0	369.421	1.106	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(Cc3ccccc3C#N)C[C@@H]2O)C1	ZINC001083522210	846090987	/nfs/dbraw/zinc/09/09/87/846090987.db2.gz	XTUFIJBOCBWJOA-AQNXPRMDSA-N	1	0	370.497	1.197	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)Nc2ccccc2C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000481331907	846398648	/nfs/dbraw/zinc/39/86/48/846398648.db2.gz	LDNGJJZZKDSVGF-OAHLLOKOSA-N	1	0	351.410	1.836	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)C[C@@H]1O	ZINC001083526507	846414838	/nfs/dbraw/zinc/41/48/38/846414838.db2.gz	VSVSCZLFEIDXSO-LZWOXQAQSA-N	1	0	353.413	1.884	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCc2cccc(C)c2)C[C@@H]1O	ZINC001083535918	846924005	/nfs/dbraw/zinc/92/40/05/846924005.db2.gz	UDFFJJMNCBOVNA-HKBOAZHASA-N	1	0	369.509	1.187	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1	ZINC001077444325	861735477	/nfs/dbraw/zinc/73/54/77/861735477.db2.gz	UHORFYCPCDRJMX-IAGOWNOFSA-N	1	0	351.878	1.318	20	30		FDEDRO
O=C([C@H]1CCNC1=O)N1CC[C@H]2CN(CC#Cc3cccc(Cl)c3)C[C@H]21	ZINC001076131810	847371857	/nfs/dbraw/zinc/37/18/57/847371857.db2.gz	JSIRIMZBJLBTCW-RYQLBKOJSA-N	1	0	371.868	1.360	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CC4=CCOCC4)[C@@H]3C2)C1=O	ZINC001076211086	847547207	/nfs/dbraw/zinc/54/72/07/847547207.db2.gz	PNGYGQHSRSQJHN-OKZBNKHCSA-N	1	0	359.470	1.043	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ncccc4C)C[C@H]32)nn1	ZINC001076334946	847878534	/nfs/dbraw/zinc/87/85/34/847878534.db2.gz	RBMLBXLHQUVJSD-MAUKXSAKSA-N	1	0	352.442	1.514	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C[C@H]4CCC(=O)N4)[C@@H]3C2)cc1	ZINC001076354642	847937470	/nfs/dbraw/zinc/93/74/70/847937470.db2.gz	FCBGCQAEHGPPOM-RCCFBDPRSA-N	1	0	352.438	1.260	20	30		FDEDRO
C=CCOC[C@@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)OC	ZINC000482445306	847988570	/nfs/dbraw/zinc/98/85/70/847988570.db2.gz	IXYYQVUDVXUGDJ-LJQANCHMSA-N	1	0	357.454	1.856	20	30		FDEDRO
N#Cc1cc(CN2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)ccc1F	ZINC001076467950	848195086	/nfs/dbraw/zinc/19/50/86/848195086.db2.gz	WLVOJFGHWJEIBB-QFBILLFUSA-N	1	0	368.456	1.826	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CCCc4nc(C)no4)C[C@H]32)nc1	ZINC001076475949	848239495	/nfs/dbraw/zinc/23/94/95/848239495.db2.gz	NQQLKJCHIRYKRF-FUHWJXTLSA-N	1	0	365.437	1.533	20	30		FDEDRO
C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(CC#Cc4ccc(F)cc4)C[C@H]32)C1	ZINC001076569472	848467224	/nfs/dbraw/zinc/46/72/24/848467224.db2.gz	YEYOXVDAHXDJCU-NLWGTHIKSA-N	1	0	355.457	1.662	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000249165395	848803707	/nfs/dbraw/zinc/80/37/07/848803707.db2.gz	KANIXUOLQZVKCJ-ZFWWWQNUSA-N	1	0	358.442	1.837	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)C[NH+]1CCCC1	ZINC001076706171	848811686	/nfs/dbraw/zinc/81/16/86/848811686.db2.gz	UHQKNIBDDBOEBI-BQFCYCMXSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C1CC[NH+](C)CC1	ZINC001076738276	848906885	/nfs/dbraw/zinc/90/68/85/848906885.db2.gz	WMVCTPWBKRUOKX-UAGQMJEPSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccn2c[nH+]cc2c1	ZINC001076739478	848910340	/nfs/dbraw/zinc/91/03/40/848910340.db2.gz	ZKTOFMVITOGGBV-QGTPRVQTSA-N	1	0	370.453	1.940	20	30		FDEDRO
C=CCCn1cc(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)nn1	ZINC000668157560	848945784	/nfs/dbraw/zinc/94/57/84/848945784.db2.gz	VMCJXYYBUIVEQC-UHFFFAOYSA-N	1	0	374.533	1.668	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)C1([NH+](C)C)CCC1	ZINC001076952580	849402260	/nfs/dbraw/zinc/40/22/60/849402260.db2.gz	ZOMBHZAORGOTLH-JYJNAYRXSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cc(OC)ccc2OC)C1	ZINC001076988800	849484459	/nfs/dbraw/zinc/48/44/59/849484459.db2.gz	NMWXYDBWZXOKFI-DZOHQFGASA-N	1	0	360.454	1.545	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1O	ZINC001077016677	849548981	/nfs/dbraw/zinc/54/89/81/849548981.db2.gz	XEKUZSAUYCBUGM-VQHPVUNQSA-N	1	0	350.484	1.433	20	30		FDEDRO
CNC(=O)C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccccc1	ZINC000483428977	849566151	/nfs/dbraw/zinc/56/61/51/849566151.db2.gz	XENYBBYXCOIPJV-IEBWSBKVSA-N	1	0	353.422	1.765	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C2CC2)C[C@H]1O	ZINC001077158935	849954062	/nfs/dbraw/zinc/95/40/62/849954062.db2.gz	FRUUNFFITWVBAU-QHAWAJNXSA-N	1	0	367.493	1.323	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CCSCC)C[C@]2(C)C1	ZINC001101147890	850825366	/nfs/dbraw/zinc/82/53/66/850825366.db2.gz	VHDZPKYYUUZWGC-DAYGRLMNSA-N	1	0	351.516	1.048	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)N1CC[NH2+]C[C@H]1CCOC	ZINC000904415159	851205993	/nfs/dbraw/zinc/20/59/93/851205993.db2.gz	RLDXEMOKEDYKIO-OAHLLOKOSA-N	1	0	362.430	1.426	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CN(CN3CC(=O)N(Cc4ccccc4C#N)C3=O)C[C@]2(C)C1	ZINC000904435769	851219370	/nfs/dbraw/zinc/21/93/70/851219370.db2.gz	FOJIMGQAIAQAPT-XLIONFOSSA-N	1	0	367.453	1.163	20	30		FDEDRO
C=CCNC(=O)Cc1noc(C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)n1	ZINC000904682644	851329756	/nfs/dbraw/zinc/32/97/56/851329756.db2.gz	RWUWWGCXYWLXDL-SNVBAGLBSA-N	1	0	354.332	1.444	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH2+]C[C@@H](O)CC3(CO)CCCC3)C2=O)cc1	ZINC000905199869	851743699	/nfs/dbraw/zinc/74/36/99/851743699.db2.gz	CCQQHLZNZQSSJQ-OALUTQOASA-N	1	0	371.481	1.947	20	30		FDEDRO
C#Cc1ccc(C[NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)cc1	ZINC000905273349	851807018	/nfs/dbraw/zinc/80/70/18/851807018.db2.gz	MANKCLVVYJJQNR-QGZVFWFLSA-N	1	0	364.511	1.759	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CC[NH2+]C23CCCC3)c1	ZINC000905353903	851850835	/nfs/dbraw/zinc/85/08/35/851850835.db2.gz	MPWLPDYCWNJHJX-INIZCTEOSA-N	1	0	363.483	1.555	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-]	ZINC000913516736	862298602	/nfs/dbraw/zinc/29/86/02/862298602.db2.gz	CPDDPMYBESZJMU-UHFFFAOYSA-N	1	0	359.304	1.831	20	30		FDEDRO
COC(=O)c1cc(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)n(C)c1C	ZINC000905441174	851945312	/nfs/dbraw/zinc/94/53/12/851945312.db2.gz	SLFOJLYNCSKKPP-KRWDZBQOSA-N	1	0	371.437	1.716	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@@H](Cc1cccnc1)NC(=O)c1ccccc1	ZINC000913518737	862302625	/nfs/dbraw/zinc/30/26/25/862302625.db2.gz	ZGXKOFWTECREGO-LJQANCHMSA-N	1	0	364.449	1.104	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)CN(C[C@@H]1CCCO1)C(=O)OC(C)(C)C	ZINC000913518832	862302698	/nfs/dbraw/zinc/30/26/98/862302698.db2.gz	CLAHJXRSHZXCGN-HNNXBMFYSA-N	1	0	353.463	1.084	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Cc1ccc(I)cc1	ZINC000913521566	862306564	/nfs/dbraw/zinc/30/65/64/862306564.db2.gz	DXHINDWIBQAALC-UHFFFAOYSA-N	1	0	356.207	1.515	20	30		FDEDRO
COc1cccc([C@H]2[C@@H](C(=O)NCC#CC[NH+](C)C)CC(=O)N2C2CC2)c1	ZINC000913520238	862304312	/nfs/dbraw/zinc/30/43/12/862304312.db2.gz	JCQXPECXPFQZTL-ICSRJNTNSA-N	1	0	369.465	1.428	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1csc(CCNC(=O)OC(C)(C)C)n1	ZINC000913521118	862305798	/nfs/dbraw/zinc/30/57/98/862305798.db2.gz	LJDSLYGMAMSIQZ-UHFFFAOYSA-N	1	0	366.487	1.505	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F	ZINC000913522095	862305897	/nfs/dbraw/zinc/30/58/97/862305897.db2.gz	ZVVBWKIDEPUVPL-CYBMUJFWSA-N	1	0	359.417	1.560	20	30		FDEDRO
CN(c1cccc(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)c1)S(C)(=O)=O	ZINC000905698811	852223466	/nfs/dbraw/zinc/22/34/66/852223466.db2.gz	ODSUMYODYARRRC-GOSISDBHSA-N	1	0	359.451	1.777	20	30		FDEDRO
C=CC[C@H](NCC1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)OC	ZINC000905758447	852248218	/nfs/dbraw/zinc/24/82/18/852248218.db2.gz	XHGPZTHFYUNKRU-KRWDZBQOSA-N	1	0	366.483	1.795	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H]([NH2+][C@@H]2CCCN3CCSC[C@H]23)C1=O	ZINC000905855447	852356720	/nfs/dbraw/zinc/35/67/20/852356720.db2.gz	RJNXITUIBCGNTG-QLFBSQMISA-N	1	0	362.524	1.894	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1[C@@H](C)O)C(C)C	ZINC000668532204	852719856	/nfs/dbraw/zinc/71/98/56/852719856.db2.gz	XHSUMAZUNWDZFI-ZACQAIPSSA-N	1	0	351.491	1.173	20	30		FDEDRO
C#CCN(C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2)C1CC[NH+](C)CC1	ZINC000906451935	852901364	/nfs/dbraw/zinc/90/13/64/852901364.db2.gz	KFLBSBWMLGEIGD-UHFFFAOYSA-N	1	0	373.409	1.926	20	30		FDEDRO
N#C[C@]1(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)CC2CCC1CC2	ZINC000906511027	852955003	/nfs/dbraw/zinc/95/50/03/852955003.db2.gz	JOXLDFLVPHEQHX-RLFPARDHSA-N	1	0	358.486	1.647	20	30		FDEDRO
Cc1sc(=O)n(CC(=O)NC2(C#N)CC[NH+](C)CC2)c1-c1ccccc1	ZINC000906600640	853069938	/nfs/dbraw/zinc/06/99/38/853069938.db2.gz	LWHFFYIFZCEMHP-UHFFFAOYSA-N	1	0	370.478	1.989	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)n1	ZINC000906667414	853130403	/nfs/dbraw/zinc/13/04/03/853130403.db2.gz	ZVPKIRYYHCOCKL-UHFFFAOYSA-N	1	0	367.453	1.697	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C	ZINC000906710220	853199342	/nfs/dbraw/zinc/19/93/42/853199342.db2.gz	ZPKWRANENNHELI-IUODEOHRSA-N	1	0	360.483	1.991	20	30		FDEDRO
CC[C@@H](C#N)Oc1cc(CNC(=O)C2CN(C)CC[N@H+](C)C2)ccc1OC	ZINC000906692977	853221611	/nfs/dbraw/zinc/22/16/11/853221611.db2.gz	UWEOHGUURHGBHO-KRWDZBQOSA-N	1	0	374.485	1.486	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)nc1	ZINC000906914010	853498676	/nfs/dbraw/zinc/49/86/76/853498676.db2.gz	XRVJWZWCOBOOQY-SFHVURJKSA-N	1	0	370.478	1.796	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@H]1OC	ZINC001212146317	862483127	/nfs/dbraw/zinc/48/31/27/862483127.db2.gz	OJECAUULFLKTEP-CEXWTWQISA-N	1	0	350.503	1.937	20	30		FDEDRO
C[NH+](C)CCCOC1CCN(S(=O)(=O)c2ccc(C#N)cn2)CC1	ZINC000907026038	853713562	/nfs/dbraw/zinc/71/35/62/853713562.db2.gz	SBWPMBLHDOAMNC-UHFFFAOYSA-N	1	0	352.460	1.075	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(Br)c(C#N)c3)C[C@@H]2C1	ZINC000907162750	853861905	/nfs/dbraw/zinc/86/19/05/853861905.db2.gz	HNILAFMUUVZBMA-TXEJJXNPSA-N	1	0	370.272	1.503	20	30		FDEDRO
CN1CC[N@H+](C)CC(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1	ZINC000907302344	854046258	/nfs/dbraw/zinc/04/62/58/854046258.db2.gz	MGCQZAOVPYEYNU-UHFFFAOYSA-N	1	0	372.860	1.829	20	30		FDEDRO
N#Cc1c(F)cccc1S(=O)(=O)NC1CC[NH+](C2CCOCC2)CC1	ZINC000907328055	854081943	/nfs/dbraw/zinc/08/19/43/854081943.db2.gz	KGTLHVNBXCEEOW-UHFFFAOYSA-N	1	0	367.446	1.619	20	30		FDEDRO
N#Cc1cccc(CS(=O)(=O)NC2CC[NH+](C3CCOCC3)CC2)c1	ZINC000907328737	854083325	/nfs/dbraw/zinc/08/33/25/854083325.db2.gz	PXENSCFYFLTKSD-UHFFFAOYSA-N	1	0	363.483	1.621	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)NC1CC[NH+](C2CCOCC2)CC1	ZINC000907329498	854084220	/nfs/dbraw/zinc/08/42/20/854084220.db2.gz	VUWAMHSXMCNHAW-UHFFFAOYSA-N	1	0	363.483	1.788	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1	ZINC000907366605	854109892	/nfs/dbraw/zinc/10/98/92/854109892.db2.gz	MSUUGERFAXHDLL-CAOSSQGBSA-N	1	0	362.474	1.879	20	30		FDEDRO
C=CCc1cc(OC)cc(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)c1O	ZINC000164375469	862548154	/nfs/dbraw/zinc/54/81/54/862548154.db2.gz	YIZQIEJIDRBNEA-UHFFFAOYSA-N	1	0	373.497	1.869	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCCO2)C[C@H]1OC	ZINC001212148994	862587765	/nfs/dbraw/zinc/58/77/65/862587765.db2.gz	XIUIKFCRWDJEAY-GUDVDZBRSA-N	1	0	366.502	1.581	20	30		FDEDRO
CC[N@H+](CCNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(C)C	ZINC000486497307	854693262	/nfs/dbraw/zinc/69/32/62/854693262.db2.gz	IMVDIGPJIYBYKS-SFHVURJKSA-N	1	0	371.485	1.689	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(C(=O)c2ccsc2C#N)CC1	ZINC000908161162	855098873	/nfs/dbraw/zinc/09/88/73/855098873.db2.gz	DDWYLRIIQIWRJG-UHFFFAOYSA-N	1	0	351.472	1.819	20	30		FDEDRO
CC(C)[NH+]1CCN(CCC(=O)N2CCN(c3cnccc3C#N)CC2)CC1	ZINC000908352707	855330419	/nfs/dbraw/zinc/33/04/19/855330419.db2.gz	ZJDQFFQTRAHCAW-UHFFFAOYSA-N	1	0	370.501	1.018	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)C[C@H]1OC	ZINC001212150361	862666758	/nfs/dbraw/zinc/66/67/58/862666758.db2.gz	VHWRUFCNCOVHFU-RTBURBONSA-N	1	0	369.465	1.019	20	30		FDEDRO
C=CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc[nH+]cc2)[C@@H](C)C1	ZINC000908648350	855655302	/nfs/dbraw/zinc/65/53/02/855655302.db2.gz	IYLOITGUCYXFEQ-HNNXBMFYSA-N	1	0	364.457	1.975	20	30		FDEDRO
C=CCn1c([C@H]2CNC(=O)C2)nnc1N1CCC(CC)([NH+]2CCC2)CC1	ZINC000908691947	855681318	/nfs/dbraw/zinc/68/13/18/855681318.db2.gz	LQTRSMIUUQQXCL-OAHLLOKOSA-N	1	0	358.490	1.522	20	30		FDEDRO
C=CCn1c(-c2cccnn2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000908703666	855706755	/nfs/dbraw/zinc/70/67/55/855706755.db2.gz	UCOVNMJCXJEYCR-OAHLLOKOSA-N	1	0	355.446	1.222	20	30		FDEDRO
C=CCn1c(-c2cccnn2)nnc1N1CC[N@H+](CCOC)[C@@H](CCC)C1	ZINC000908705863	855707384	/nfs/dbraw/zinc/70/73/84/855707384.db2.gz	GRELBSADUTVJPS-INIZCTEOSA-N	1	0	371.489	1.858	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCCc3ccccc32)C[C@H]1OC	ZINC001212152096	862779382	/nfs/dbraw/zinc/77/93/82/862779382.db2.gz	IUMLAMDOCDZGRI-CEXWTWQISA-N	1	0	369.465	1.019	20	30		FDEDRO
C#CCCCc1nnc(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)n1C[C@H]1CCCO1	ZINC000909770136	856518651	/nfs/dbraw/zinc/51/86/51/856518651.db2.gz	GRWPEUJORATUKA-KZNAEPCWSA-N	1	0	357.502	1.943	20	30		FDEDRO
CS[C@@H]1CCN(C(=O)C(=O)N(c2ccc(C#N)cn2)[C@@H]2CCC[NH2+]C2)C1	ZINC000910858654	857787928	/nfs/dbraw/zinc/78/79/28/857787928.db2.gz	RCMWUKFINIXBOF-HUUCEWRRSA-N	1	0	373.482	1.002	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C(=O)N(c2ccc(C#N)cn2)[C@@H]2CCC[NH2+]C2)C[C@H]1C	ZINC000910858851	857789143	/nfs/dbraw/zinc/78/91/43/857789143.db2.gz	VLEVAQOYLJSRBP-BFYDXBDKSA-N	1	0	369.469	1.543	20	30		FDEDRO
C#CCN(C(=O)C(=O)N(C)Cc1cc2ccccc2o1)C1CC[NH+](C)CC1	ZINC000910884256	857834756	/nfs/dbraw/zinc/83/47/56/857834756.db2.gz	AEYCOTFTRVMFLT-UHFFFAOYSA-N	1	0	367.449	1.947	20	30		FDEDRO
C#CCN(C(=O)C(=O)N(C)Cc1ccc(CC)cc1)C1CC[NH+](C)CC1	ZINC000910884816	857835478	/nfs/dbraw/zinc/83/54/78/857835478.db2.gz	DYJLDGIOSYUPQH-UHFFFAOYSA-N	1	0	355.482	1.763	20	30		FDEDRO
C#CCN(C(=O)C(=O)N(C)CCN(C)c1ccccc1)C1CC[NH+](C)CC1	ZINC000910885909	857838539	/nfs/dbraw/zinc/83/85/39/857838539.db2.gz	PGJKXZRJMPROGY-UHFFFAOYSA-N	1	0	370.497	1.137	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CC[C@H](c2ccccc2)C1)C1CC[NH+](C)CC1	ZINC000910886830	857840174	/nfs/dbraw/zinc/84/01/74/857840174.db2.gz	WPJRXSMJNQWTOI-SFHVURJKSA-N	1	0	353.466	1.559	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(C(C)(C)C[NH3+])CC1	ZINC000910952133	857923054	/nfs/dbraw/zinc/92/30/54/857923054.db2.gz	HTYLGCGKFCYVNG-HOCLYGCPSA-N	1	0	351.491	1.307	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCCCCC1CC[NH2+]CC1	ZINC000910951515	857923223	/nfs/dbraw/zinc/92/32/23/857923223.db2.gz	COTUDHQRUGNYGP-MSOLQXFVSA-N	1	0	365.518	1.760	20	30		FDEDRO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1	ZINC000911047914	858084949	/nfs/dbraw/zinc/08/49/49/858084949.db2.gz	JQBZIEAZNJDEQU-KRWDZBQOSA-N	1	0	359.470	1.256	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c(F)c1	ZINC000911171172	858280938	/nfs/dbraw/zinc/28/09/38/858280938.db2.gz	FCSRYLOZJAEZIO-YPMHNXCESA-N	1	0	372.322	1.052	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)NCc1ccc(CN2CCS(=O)CC2)cc1	ZINC000911264876	858415992	/nfs/dbraw/zinc/41/59/92/858415992.db2.gz	BBVFBFHIDOZWBP-UHFFFAOYSA-N	1	0	363.527	1.375	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)N1CC[NH2+]CCC12CCOCC2	ZINC000911361204	858521566	/nfs/dbraw/zinc/52/15/66/858521566.db2.gz	WEKWULPAWOPLHP-UHFFFAOYSA-N	1	0	351.491	1.466	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cc1C#N	ZINC000911433941	858615749	/nfs/dbraw/zinc/61/57/49/858615749.db2.gz	FOJURVNECDYFCS-UONOGXRCSA-N	1	0	368.359	1.221	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)cc1C#N	ZINC000911436853	858618530	/nfs/dbraw/zinc/61/85/30/858618530.db2.gz	WXFUGYKBGVHWQF-HXUWFJFHSA-N	1	0	354.454	1.475	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)NC[C@@H](Cc1ccc(OC)c(F)c1)C(=O)NC	ZINC000911489817	858678921	/nfs/dbraw/zinc/67/89/21/858678921.db2.gz	WENFPGRVTJZKBA-OAHLLOKOSA-N	1	0	365.449	1.363	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2	ZINC000911549519	858750714	/nfs/dbraw/zinc/75/07/14/858750714.db2.gz	HIBWCPIMMLTBHS-KGYLQXTDSA-N	1	0	353.875	1.925	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CC[NH2+][C@@H]([C@@H]4CCCO4)C3)CC2)c1	ZINC000911635153	858871604	/nfs/dbraw/zinc/87/16/04/858871604.db2.gz	IWPXLRKJZMGNCU-KURKYZTESA-N	1	0	369.469	1.149	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3ccnn3)cc2)C[C@H]1C	ZINC001106867142	881420502	/nfs/dbraw/zinc/42/05/02/881420502.db2.gz	QLIMBOMDMYWQRL-SJLPKXTDSA-N	1	0	369.469	1.768	20	30		FDEDRO
C=C(C)CNC(NCc1ccc(OCC(N)=O)c(OC)c1)=[NH+]C(C)(C)C	ZINC000912499326	859826338	/nfs/dbraw/zinc/82/63/38/859826338.db2.gz	PDGKWGCTDXPRNO-UHFFFAOYSA-N	1	0	362.474	1.969	20	30		FDEDRO
CC(C)(C)[NH+]=C(NCCCN1CCOCC1)NCc1nc(C2CC2)no1	ZINC000912506513	859831410	/nfs/dbraw/zinc/83/14/10/859831410.db2.gz	ODINGFQJTFOSPZ-UHFFFAOYSA-N	1	0	364.494	1.503	20	30		FDEDRO
CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)CC1	ZINC000912591441	859923463	/nfs/dbraw/zinc/92/34/63/859923463.db2.gz	HOOSMOQVXVBJEG-MRXNPFEDSA-N	1	0	359.470	1.925	20	30		FDEDRO
CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC1	ZINC000912595614	859928508	/nfs/dbraw/zinc/92/85/08/859928508.db2.gz	WKPKFEXIPUWKLG-MRXNPFEDSA-N	1	0	359.470	1.925	20	30		FDEDRO
CON=C(C(=O)N1[C@@H](C)CCC[C@H]1CC[NH+](C)C)c1csc(N)n1	ZINC000912648828	859986493	/nfs/dbraw/zinc/98/64/93/859986493.db2.gz	KPGBDTLUTIDJIO-RYUDHWBXSA-N	1	0	353.492	1.797	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NN2C(=O)N[C@@](CC)(c3ccccc3)C2=O)CC1	ZINC000057137518	863085091	/nfs/dbraw/zinc/08/50/91/863085091.db2.gz	ZIJRDLKZWWVASU-FQEVSTJZSA-N	1	0	368.437	1.220	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCC(C)C)C[C@H]1C	ZINC001105806688	863279949	/nfs/dbraw/zinc/27/99/49/863279949.db2.gz	FOZQIDNQEOOOMU-HUUCEWRRSA-N	1	0	352.479	1.119	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCC(C)=O)C[C@H]1C	ZINC001105821583	863364047	/nfs/dbraw/zinc/36/40/47/863364047.db2.gz	UBCJTQOQOCHRTA-NVXWUHKLSA-N	1	0	364.490	1.192	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOC)C1)OCC	ZINC001112110614	863738247	/nfs/dbraw/zinc/73/82/47/863738247.db2.gz	YDVDJVLMWCLZIV-MGPQQGTHSA-N	1	0	352.397	1.983	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1	ZINC000761027599	863794341	/nfs/dbraw/zinc/79/43/41/863794341.db2.gz	ZCXKQBCHOVGPHT-KGLIPLIRSA-N	1	0	360.389	1.410	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)OC)C[C@H]1C	ZINC001105906704	863870659	/nfs/dbraw/zinc/87/06/59/863870659.db2.gz	PEFVIJWRTPIMTE-ZACQAIPSSA-N	1	0	353.507	1.520	20	30		FDEDRO
C[NH+](C)CC1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1	ZINC000761038930	863878318	/nfs/dbraw/zinc/87/83/18/863878318.db2.gz	WNKWCHQQHDYPOG-UHFFFAOYSA-N	1	0	362.405	1.467	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1	ZINC000946744030	881707156	/nfs/dbraw/zinc/70/71/56/881707156.db2.gz	JUDMJTDUMPVQDG-KURKYZTESA-N	1	0	363.502	1.558	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)COC)C[C@H]1C	ZINC001105934061	864094935	/nfs/dbraw/zinc/09/49/35/864094935.db2.gz	JGZXELOEKDKIBB-IXDOHACOSA-N	1	0	353.507	1.378	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CCCOCC(F)(F)F)[C@H](C)C1	ZINC001105937617	864130303	/nfs/dbraw/zinc/13/03/03/864130303.db2.gz	BZWHQIBOSIFBNL-ZIAGYGMSSA-N	1	0	352.397	1.842	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2cc(=O)c(OC)co2)[C@H](C)C1	ZINC001105938014	864132235	/nfs/dbraw/zinc/13/22/35/864132235.db2.gz	KXIIYICXBWHPCO-ZIAGYGMSSA-N	1	0	350.415	1.035	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)N(C(C)C)C(C)C)[C@H](C)C1	ZINC001105938614	864133441	/nfs/dbraw/zinc/13/34/41/864133441.db2.gz	ULCOXTQOSROVCZ-FGTMMUONSA-N	1	0	367.534	1.907	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2ncnn2-c2ccccc2)[C@H](C)C1	ZINC001105941544	864150546	/nfs/dbraw/zinc/15/05/46/864150546.db2.gz	BAPBQCMRYOJSCR-IAGOWNOFSA-N	1	0	369.469	1.654	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CCOCC(F)(F)C(F)F)[C@H](C)C1	ZINC001105941835	864152092	/nfs/dbraw/zinc/15/20/92/864152092.db2.gz	MUZPZQTZLMWKII-CHWSQXEVSA-N	1	0	370.387	1.790	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2nc(C)cs2)[C@H](C)C1	ZINC001105942427	864160338	/nfs/dbraw/zinc/16/03/38/864160338.db2.gz	GYRVUWHMJYDXKX-TZMCWYRMSA-N	1	0	366.487	1.277	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2nc([C@H](C)OC)no2)[C@H](C)C1	ZINC001105942193	864167673	/nfs/dbraw/zinc/16/76/73/864167673.db2.gz	BEOHHEHZVZXISX-HZSPNIEDSA-N	1	0	352.435	1.164	20	30		FDEDRO
CCC(=O)NCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)[C@H](C)C1	ZINC001105944952	864179159	/nfs/dbraw/zinc/17/91/59/864179159.db2.gz	FZLYXNHRSXKPLQ-CZUORRHYSA-N	1	0	360.433	1.408	20	30		FDEDRO
C=CCN1C(=O)N(C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C(=O)[C@@H]1Cc1ccccc1	ZINC000761199845	864324147	/nfs/dbraw/zinc/32/41/47/864324147.db2.gz	KQICRBWQJUFTGC-QYZOEREBSA-N	1	0	369.465	1.911	20	30		FDEDRO
C[C@@H](NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C)C1CC1	ZINC001105989267	864380030	/nfs/dbraw/zinc/38/00/30/864380030.db2.gz	VBQLVZQDGOZYQI-XJKCOSOUSA-N	1	0	357.458	1.099	20	30		FDEDRO
CCCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC001105989140	864382138	/nfs/dbraw/zinc/38/21/38/864382138.db2.gz	QBWZREMWESPOSG-IIAWOOMASA-N	1	0	359.474	1.489	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3ccc4nonc4c3)[C@@H]2C)c1	ZINC001088846746	864551418	/nfs/dbraw/zinc/55/14/18/864551418.db2.gz	FKESLFMSLFVGJX-DYVFJYSZSA-N	1	0	361.405	1.992	20	30		FDEDRO
CCS(=O)(=O)CCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC001106016429	864639533	/nfs/dbraw/zinc/63/95/33/864639533.db2.gz	YMAAOOLDHASKFF-ZIAGYGMSSA-N	1	0	366.487	1.009	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]CC(=O)NC1CCCC1	ZINC001106015337	864654867	/nfs/dbraw/zinc/65/48/67/864654867.db2.gz	AXUPORUIIDDGHM-ZIAGYGMSSA-N	1	0	357.458	1.243	20	30		FDEDRO
CC(C)[C@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC001106015558	864654978	/nfs/dbraw/zinc/65/49/78/864654978.db2.gz	GPDHLSVKQMWRPM-QLFBSQMISA-N	1	0	359.474	1.345	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cc(C)on2)[C@H](C)C1	ZINC001106025725	864814675	/nfs/dbraw/zinc/81/46/75/864814675.db2.gz	FHNJEFBUHPVYII-GDBMZVCRSA-N	1	0	360.458	1.799	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)COC(C)(C)C)C[C@H]2C)C1=O	ZINC001106031132	864903520	/nfs/dbraw/zinc/90/35/20/864903520.db2.gz	RLCNUSDIVZMCMW-BZUAXINKSA-N	1	0	351.491	1.273	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2csc(Cl)n2)[C@H](C)C1	ZINC001106034294	864911219	/nfs/dbraw/zinc/91/12/19/864911219.db2.gz	BAGCSJWOWWDWMV-VXGBXAGGSA-N	1	0	368.890	1.120	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]CCCc2cccc(C)c2)[C@H](C)C1	ZINC001106035814	864924762	/nfs/dbraw/zinc/92/47/62/864924762.db2.gz	YBVBQIXCZQECFF-UYAOXDASSA-N	1	0	369.509	1.751	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nnc(C(C)C)n2C)[C@H](C)C1	ZINC001106058902	865068300	/nfs/dbraw/zinc/06/83/00/865068300.db2.gz	LFJNGPPNBNSLAX-SPYBWZPUSA-N	1	0	363.506	1.450	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(S(C)(=O)=O)o2)[C@H](C)C1	ZINC001106066077	865123785	/nfs/dbraw/zinc/12/37/85/865123785.db2.gz	SKZQIQSIKLIQDI-HUUCEWRRSA-N	1	0	366.483	1.671	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COCC(F)(F)F)[C@H](C)C1	ZINC001106066155	865124004	/nfs/dbraw/zinc/12/40/04/865124004.db2.gz	WEJJWVZNYAKKPG-RBSFLKMASA-N	1	0	364.408	1.414	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](OC)C2CC2)C[C@H]1C	ZINC001106072250	865225984	/nfs/dbraw/zinc/22/59/84/865225984.db2.gz	SLFVTRVYYGXYSW-SZVBFZGTSA-N	1	0	363.502	1.296	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c3cccnc32)C[C@H]1C	ZINC001106878367	881869250	/nfs/dbraw/zinc/86/92/50/881869250.db2.gz	NPMLGJYBFXHAFO-QLFBSQMISA-N	1	0	369.469	1.551	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C(C)(C)N2CCOCC2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088920921	865466976	/nfs/dbraw/zinc/46/69/76/865466976.db2.gz	FKGWCLKLEAWRKN-APWZRJJASA-N	1	0	370.497	1.748	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CCCCN(C)C2=O)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088976612	865843028	/nfs/dbraw/zinc/84/30/28/865843028.db2.gz	GULRTVSEOFWRLG-LZQZEXGQSA-N	1	0	368.481	1.896	20	30		FDEDRO
COc1ccc(C#N)cc1CN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C	ZINC001089037308	866204828	/nfs/dbraw/zinc/20/48/28/866204828.db2.gz	ACBPUNMUKHXKOD-HFTRVMKXSA-N	1	0	356.470	1.598	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C(F)F)C[C@H]1C	ZINC001106083622	866228742	/nfs/dbraw/zinc/22/87/42/866228742.db2.gz	UHOLMFRTZUAXJE-WCVJEAGWSA-N	1	0	371.472	1.996	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3cc(C)n(C)n3)[C@@H]2C)CC1	ZINC001089059758	866388984	/nfs/dbraw/zinc/38/89/84/866388984.db2.gz	ZRCKYMSCYBNKEW-APWZRJJASA-N	1	0	357.502	1.153	20	30		FDEDRO
CC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1	ZINC000456535473	866962793	/nfs/dbraw/zinc/96/27/93/866962793.db2.gz	UOCYRFCUTHONKA-LPHOPBHVSA-N	1	0	368.481	1.992	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C)CC2)cc1	ZINC000429792407	867145244	/nfs/dbraw/zinc/14/52/44/867145244.db2.gz	QCHZZBINLMSFIK-UHFFFAOYSA-N	1	0	359.430	1.097	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)C23CCC[NH+](CCC2)C3)C1	ZINC000992038462	867373566	/nfs/dbraw/zinc/37/35/66/867373566.db2.gz	WOHIWLZZCTYWBP-IRXDYDNUSA-N	1	0	361.486	1.171	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(OCC(=O)OC)cc2)c1C#N	ZINC000535502651	867733097	/nfs/dbraw/zinc/73/30/97/867733097.db2.gz	ZYVXNFOQBFLVFU-UHFFFAOYSA-N	1	0	371.397	1.237	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C2CC2)C2CC2)[C@H](C)C1	ZINC001106099993	868058927	/nfs/dbraw/zinc/05/89/27/868058927.db2.gz	WIVKDBBJOKXHJU-CRAIPNDOSA-N	1	0	359.514	1.635	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)CCC[C@H]12	ZINC000992172187	868145366	/nfs/dbraw/zinc/14/53/66/868145366.db2.gz	NWRIMYCDCUZUCI-YLAKUSLOSA-N	1	0	363.502	1.702	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1	ZINC001106106024	868164947	/nfs/dbraw/zinc/16/49/47/868164947.db2.gz	DMKPIOAXVZZUTL-BHIYHBOVSA-N	1	0	356.466	1.524	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]C[C@H](O)COCc1ccccc1	ZINC001106106317	868176367	/nfs/dbraw/zinc/17/63/67/868176367.db2.gz	RJIHRGMOHGJNKP-UIFIKXQLSA-N	1	0	370.493	1.662	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC2CC(NC(=O)[C@]34C[C@H]3CCC4)C2)CC1	ZINC000992185404	868211494	/nfs/dbraw/zinc/21/14/94/868211494.db2.gz	VBNNVLDYBWAWOP-OYMMLTSBSA-N	1	0	357.498	1.533	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cnn(C)c3)C[C@H]2CC1	ZINC000946786841	882172674	/nfs/dbraw/zinc/17/26/74/882172674.db2.gz	RNWVQDFAKOHZDK-HCXYKTFWSA-N	1	0	358.486	1.682	20	30		FDEDRO
Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2C)no1	ZINC001106109794	868312849	/nfs/dbraw/zinc/31/28/49/868312849.db2.gz	VUHGQNCJDUBZQF-UKRRQHHQSA-N	1	0	360.458	1.655	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C(N)=O)cc2)[C@H](C)C1	ZINC001106110727	868380353	/nfs/dbraw/zinc/38/03/53/868380353.db2.gz	CVRSDVJFVIYZBY-RVKKMQEKSA-N	1	0	357.454	1.008	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nc(CCCC)no2)[C@H](C)C1	ZINC001106111898	868394134	/nfs/dbraw/zinc/39/41/34/868394134.db2.gz	SALKAUZBDNVBQA-OWCLPIDISA-N	1	0	362.474	1.635	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2ccc3nonc3c2)[C@H](C)C1	ZINC001106114732	868505555	/nfs/dbraw/zinc/50/55/55/868505555.db2.gz	HXUHXZVIVVNYMX-GDBMZVCRSA-N	1	0	356.426	1.447	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC(CNC(=O)C23CC[NH+](CC2)C3)C1	ZINC000992244194	868569597	/nfs/dbraw/zinc/56/95/97/868569597.db2.gz	YLCNZKHXXCXNPB-BACDZXNISA-N	1	0	361.486	1.074	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc3nonc3c2)[C@H](C)C1	ZINC001106117072	868582867	/nfs/dbraw/zinc/58/28/67/868582867.db2.gz	YRXJLNVQLHHBLE-IJEWVQPXSA-N	1	0	356.426	1.445	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2nc(C3CC3)no2)[C@H](C)C1	ZINC001106117346	868593834	/nfs/dbraw/zinc/59/38/34/868593834.db2.gz	NCNDHZRVRIEGPM-IJEWVQPXSA-N	1	0	360.458	1.732	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)c2ccc(OCc3nc(C)no3)nc2)C1	ZINC000923595533	868669906	/nfs/dbraw/zinc/66/99/06/868669906.db2.gz	URPDNDARZKIHBG-HNNXBMFYSA-N	1	0	355.398	1.179	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1	ZINC000994336273	882224319	/nfs/dbraw/zinc/22/43/19/882224319.db2.gz	SOGODZVORMITEW-IAGOWNOFSA-N	1	0	370.497	1.594	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2coc(C(C)(C)C)n2)C[C@H]1C	ZINC001106124646	868918372	/nfs/dbraw/zinc/91/83/72/868918372.db2.gz	WVKFVCASXJSNSA-ZIAGYGMSSA-N	1	0	362.474	1.572	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ncnn2CCF)C1	ZINC001112333108	869085232	/nfs/dbraw/zinc/08/52/32/869085232.db2.gz	XHPXVYSRFKHWTD-LPHOPBHVSA-N	1	0	361.465	1.769	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CC[NH+](CCCCCO)CC2)cc1	ZINC000913691204	869430832	/nfs/dbraw/zinc/43/08/32/869430832.db2.gz	NROHACRMKBKDKS-HXUWFJFHSA-N	1	0	370.497	1.834	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCO[C@](COC)(C(=O)OC(C)(C)C)C1	ZINC000913695710	869443827	/nfs/dbraw/zinc/44/38/27/869443827.db2.gz	NUYZIJOMTOQURC-GOSISDBHSA-N	1	0	356.463	1.080	20	30		FDEDRO
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)c1	ZINC000151755742	869449683	/nfs/dbraw/zinc/44/96/83/869449683.db2.gz	HYYCUZBRWJRWDN-KRWDZBQOSA-N	1	0	374.485	1.966	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)CCC[NH+](C)C)C1	ZINC001060421010	869518556	/nfs/dbraw/zinc/51/85/56/869518556.db2.gz	ZSWBFCXLBKBLCX-BBWFWOEESA-N	1	0	351.491	1.274	20	30		FDEDRO
C#CCN(C(=O)NCCc1ccc2c(c1)OCCO2)C1CC[NH+](C)CC1	ZINC000913864075	869812927	/nfs/dbraw/zinc/81/29/27/869812927.db2.gz	NCOVQFRLHPWVCU-UHFFFAOYSA-N	1	0	357.454	1.739	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)CC(C)C)C[C@]3(C)C2)CC1	ZINC000992537652	869989961	/nfs/dbraw/zinc/98/99/61/869989961.db2.gz	FGXYAXCAPZQRRH-GHTZIAJQSA-N	1	0	359.514	1.685	20	30		FDEDRO
C#CCN(C(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1	ZINC000913976930	870188967	/nfs/dbraw/zinc/18/89/67/870188967.db2.gz	BESXNTFBAXEWLD-IRXDYDNUSA-N	1	0	364.534	1.613	20	30		FDEDRO
C#CCN(C(=O)NCCc1nnc2n1CCCCC2)C1CC[NH+](C)CC1	ZINC000913979630	870226071	/nfs/dbraw/zinc/22/60/71/870226071.db2.gz	VNFCYXIQUWDTBG-UHFFFAOYSA-N	1	0	358.490	1.286	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccc(N3CCCCC3)nc2)CC1	ZINC000914035331	870446481	/nfs/dbraw/zinc/44/64/81/870446481.db2.gz	IIUXFKXQULQVAB-UHFFFAOYSA-N	1	0	355.486	1.969	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)NCC1([NH+](C)C)CCOCC1	ZINC000914112168	870841729	/nfs/dbraw/zinc/84/17/29/870841729.db2.gz	BYFURMKTDYZSAB-UHFFFAOYSA-N	1	0	365.499	1.705	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000914143248	871052589	/nfs/dbraw/zinc/05/25/89/871052589.db2.gz	ZJTVPXWYKYSDMY-QGZVFWFLSA-N	1	0	365.499	1.441	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1	ZINC001033422305	882487673	/nfs/dbraw/zinc/48/76/73/882487673.db2.gz	IRMAHOFTKBYMJS-KSZLIROESA-N	1	0	354.454	1.315	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(OC)ns2)C[C@H]1C	ZINC001106148421	871387147	/nfs/dbraw/zinc/38/71/47/871387147.db2.gz	OOMTVKNUIYNDQS-FRRDWIJNSA-N	1	0	366.487	1.140	20	30		FDEDRO
CCc1nccn1[C@H](C)CC(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1	ZINC001106149247	871389454	/nfs/dbraw/zinc/38/94/54/871389454.db2.gz	ATOBXZOMOGZFEU-KZNAEPCWSA-N	1	0	360.502	1.731	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)NC(=O)COC)C[C@H]1C	ZINC001106167693	871537137	/nfs/dbraw/zinc/53/71/37/871537137.db2.gz	IXLUEZQPKVKEJU-BRWVUGGUSA-N	1	0	355.523	1.792	20	30		FDEDRO
C#CCN(C(=O)N[C@H](C)[C@H]1CCCN(C(=O)OC)C1)C1CC[NH+](C)CC1	ZINC000922050542	871592252	/nfs/dbraw/zinc/59/22/52/871592252.db2.gz	HMHHJAZASPHZAX-CVEARBPZSA-N	1	0	364.490	1.592	20	30		FDEDRO
CCOCCOC[C@@H](O)C[NH2+]Cc1cc(C#N)ccc1Br	ZINC000922054083	871625256	/nfs/dbraw/zinc/62/52/56/871625256.db2.gz	XXCCUHLHUZAOGP-AWEZNQCLSA-N	1	0	357.248	1.824	20	30		FDEDRO
CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)Cc2csc(C#N)c2)CC1	ZINC000914187552	871764886	/nfs/dbraw/zinc/76/48/86/871764886.db2.gz	NOQOVZFFJVDDSA-AWEZNQCLSA-N	1	0	370.544	1.313	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H](C)C2CCN(C(=O)OCC)CC2)CC1	ZINC000922076381	871878991	/nfs/dbraw/zinc/87/89/91/871878991.db2.gz	JTWGNNSWQMWLTK-OAHLLOKOSA-N	1	0	364.490	1.640	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1	ZINC000922081459	871889069	/nfs/dbraw/zinc/88/90/69/871889069.db2.gz	LBNSBYCRDZFPNY-OAHLLOKOSA-N	1	0	356.879	1.767	20	30		FDEDRO
C#CC[C@@H](CO)NC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000914259224	872052459	/nfs/dbraw/zinc/05/24/59/872052459.db2.gz	NTJNILUCWKMLEM-SFHVURJKSA-N	1	0	358.486	1.272	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C2C=CC=CC=C2)C[C@H]1C	ZINC001106187381	873190992	/nfs/dbraw/zinc/19/09/92/873190992.db2.gz	IAGWVMASKMESOU-IEBWSBKVSA-N	1	0	370.497	1.731	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@]2(C)CCOC2)CC1	ZINC001003365244	873208614	/nfs/dbraw/zinc/20/86/14/873208614.db2.gz	JOLDUXBAYUBVIJ-WIRSXHRWSA-N	1	0	373.497	1.006	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1	ZINC000673275612	873233998	/nfs/dbraw/zinc/23/39/98/873233998.db2.gz	XGDMYZGEFNMDJA-UHFFFAOYSA-N	1	0	351.491	1.609	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NCCCOC)[C@H](C)C1	ZINC001106192150	873259732	/nfs/dbraw/zinc/25/97/32/873259732.db2.gz	YBEFYYIPFQARJS-IXDOHACOSA-N	1	0	353.507	1.568	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccnn2C2CCCC2)C[C@H]1C	ZINC001106192180	873260069	/nfs/dbraw/zinc/26/00/69/873260069.db2.gz	ZNFQRQAVEPSJLZ-IAGOWNOFSA-N	1	0	358.486	1.946	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+]CCCNS(=O)(=O)CC)[C@H](C)C1	ZINC001106193773	873275021	/nfs/dbraw/zinc/27/50/21/873275021.db2.gz	TWKKLLMTXVPWOL-HZPDHXFCSA-N	1	0	359.536	1.356	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(CC#Cc3ccccc3)C[C@@H]2O)C1	ZINC001083719486	873546051	/nfs/dbraw/zinc/54/60/51/873546051.db2.gz	FZURDEMBYHUEBO-NJYVYQBISA-N	1	0	369.509	1.321	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1	ZINC000922193435	873643785	/nfs/dbraw/zinc/64/37/85/873643785.db2.gz	JUILTURZSHQGAF-UHFFFAOYSA-N	1	0	355.482	1.576	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106200095	873652466	/nfs/dbraw/zinc/65/24/66/873652466.db2.gz	GECPJPHWVTZZTO-BHIYHBOVSA-N	1	0	353.466	1.201	20	30		FDEDRO
CC(C)[C@H](C)NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C#CC1CC1)C2	ZINC001112346023	873661992	/nfs/dbraw/zinc/66/19/92/873661992.db2.gz	ZCAMXCDIGODLOX-MDKPJZGXSA-N	1	0	359.514	1.779	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)[C@H]4CC4(C)C)C[C@@]3(C)C2)CC1	ZINC000993019787	873710090	/nfs/dbraw/zinc/71/00/90/873710090.db2.gz	MYNMDBQVRQRPRA-NJNPRVFISA-N	1	0	371.525	1.685	20	30		FDEDRO
Cc1sccc1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1	ZINC001112346873	873752501	/nfs/dbraw/zinc/75/25/01/873752501.db2.gz	NOVDUDSORSIINE-KSSFIOAISA-N	1	0	360.483	1.528	20	30		FDEDRO
C[NH+](C)C1(C(=O)N2C[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@]3(C)C2)CCC1	ZINC000993034525	873815851	/nfs/dbraw/zinc/81/58/51/873815851.db2.gz	YRUHHUXZZYSIAQ-BEFAXECRSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](CCn2c(C)csc2=O)CC1	ZINC001003652742	873927292	/nfs/dbraw/zinc/92/72/92/873927292.db2.gz	OVCDOBDVBZCIMO-CVEARBPZSA-N	1	0	365.499	1.390	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3ccn(C)n3)[C@H](C)C2)CCOCC1	ZINC001106232988	874039558	/nfs/dbraw/zinc/03/95/58/874039558.db2.gz	SZWSWUKZOIIATA-IAGOWNOFSA-N	1	0	358.486	1.424	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+][C@H](C)c3nnnn3C3CC3)[C@H](C)C2)CCC1	ZINC001106237456	874066643	/nfs/dbraw/zinc/06/66/43/874066643.db2.gz	MDHRNBUVRGCDBH-BZUAXINKSA-N	1	0	370.501	1.947	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC2(C(F)(F)F)CC2)C[C@H]1C	ZINC001106244009	874090802	/nfs/dbraw/zinc/09/08/02/874090802.db2.gz	CAZOHIPTGOAEHO-CHWSQXEVSA-N	1	0	361.408	1.705	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC[NH+]([C@H]2CCCN(C)C2=O)CC1	ZINC001003763647	874191698	/nfs/dbraw/zinc/19/16/98/874191698.db2.gz	QFHBFYQSIJDFPT-BZSNNMDCSA-N	1	0	363.502	1.559	20	30		FDEDRO
C[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@]3(C)C2)CC1	ZINC000993077643	874225962	/nfs/dbraw/zinc/22/59/62/874225962.db2.gz	OLTZTBGAWZJMLU-OXJNMPFZSA-N	1	0	369.469	1.149	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2cnn3ccccc23)C[C@H]1C	ZINC001106267690	874287331	/nfs/dbraw/zinc/28/73/31/874287331.db2.gz	DAIGUWWBHIEZMQ-SJLPKXTDSA-N	1	0	354.454	1.211	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[C@H]4C[C@H]4C2)C3)CC1	ZINC001005253189	882843283	/nfs/dbraw/zinc/84/32/83/882843283.db2.gz	COPLLLDVPJFAHK-YRIPFXIYSA-N	1	0	369.509	1.626	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH]ccc-3n2)C[C@H]1C	ZINC001106318543	874768766	/nfs/dbraw/zinc/76/87/66/874768766.db2.gz	HDLFPLCKLTWETC-IJEWVQPXSA-N	1	0	369.469	1.551	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001106327599	874790173	/nfs/dbraw/zinc/79/01/73/874790173.db2.gz	MEJWZEAHULVOLG-CHWSQXEVSA-N	1	0	369.512	1.239	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC2CC(F)(F)C2)C[C@H]1C	ZINC001106336426	874813421	/nfs/dbraw/zinc/81/34/21/874813421.db2.gz	NABSBWICIIMWHS-UMVBOHGHSA-N	1	0	355.429	1.244	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3nc(C)[nH]c3C2)C[C@H]1C	ZINC001106343213	874852535	/nfs/dbraw/zinc/85/25/35/874852535.db2.gz	UWSJPNYARBQSCZ-HYVNUMGLSA-N	1	0	358.486	1.157	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001106356784	874891527	/nfs/dbraw/zinc/89/15/27/874891527.db2.gz	NIDKFKJCIAGHIT-IUODEOHRSA-N	1	0	364.396	1.124	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2coc(OCC)n2)C[C@H]1C	ZINC001106377009	874974672	/nfs/dbraw/zinc/97/46/72/874974672.db2.gz	WSWPMFYAMGYTJP-HZSPNIEDSA-N	1	0	364.446	1.062	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)COCc2nnc(C)s2)C[C@H]1C	ZINC001106380791	874983876	/nfs/dbraw/zinc/98/38/76/874983876.db2.gz	QLHAOAJKJVPYSI-UKRRQHHQSA-N	1	0	368.503	1.250	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(C)cc2)C[C@H]1C	ZINC001106390851	875053314	/nfs/dbraw/zinc/05/33/14/875053314.db2.gz	HSORXVPHPQBOOJ-ZHALLVOQSA-N	1	0	355.482	1.360	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(Br)c[nH]2)C[C@H]1C	ZINC001106391189	875055848	/nfs/dbraw/zinc/05/58/48/875055848.db2.gz	YEKPWKKICNXNDX-CHWSQXEVSA-N	1	0	368.275	1.725	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C[C@H]1C	ZINC001106416668	875184053	/nfs/dbraw/zinc/18/40/53/875184053.db2.gz	GQYSAPIMNRAXID-NRSFXHEJSA-N	1	0	363.502	1.035	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)COC)C[C@H]1C	ZINC001106426361	875240998	/nfs/dbraw/zinc/24/09/98/875240998.db2.gz	ZEMQTOASNXQGGP-IAGOWNOFSA-N	1	0	365.518	1.544	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)COC)C[C@H]1C	ZINC001106428831	875256978	/nfs/dbraw/zinc/25/69/78/875256978.db2.gz	OETSNYYVPBQOEE-HZPDHXFCSA-N	1	0	366.506	1.105	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC2(C)CC2)C[C@H]1C	ZINC001106447037	875344281	/nfs/dbraw/zinc/34/42/81/875344281.db2.gz	HPJAPFNRLPAVPJ-QLFBSQMISA-N	1	0	364.490	1.261	20	30		FDEDRO
C[C@H](C#N)C(=O)NCc1ccccc1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001060522051	875346743	/nfs/dbraw/zinc/34/67/43/875346743.db2.gz	OBQLYXRZVARXFU-IIDMSEBBSA-N	1	0	356.470	1.761	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C	ZINC001106448675	875350463	/nfs/dbraw/zinc/35/04/63/875350463.db2.gz	JZAYHAPJRIBGSJ-VQHPVUNQSA-N	1	0	351.491	1.450	20	30		FDEDRO
CCCC[C@@H](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106450753	875359552	/nfs/dbraw/zinc/35/95/52/875359552.db2.gz	WLSRXLLDOHPMOY-BRWVUGGUSA-N	1	0	350.507	1.917	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(N)=O)C2)cc1	ZINC001112542544	882935694	/nfs/dbraw/zinc/93/56/94/882935694.db2.gz	FCMNBMZZHVYNMM-JXFKEZNVSA-N	1	0	355.438	1.016	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C)cn3ccnc23)C[C@H]1C	ZINC001106468186	875531043	/nfs/dbraw/zinc/53/10/43/875531043.db2.gz	DNQHCARXCUYFBL-HZPDHXFCSA-N	1	0	369.469	1.243	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2COCCN2CCCC)C[C@H]1C	ZINC001106475038	875562082	/nfs/dbraw/zinc/56/20/82/875562082.db2.gz	XHJFYSRDELUZMK-GUDVDZBRSA-N	1	0	367.534	1.374	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cncc(-n3ccnn3)c2)C[C@H]1C	ZINC001106481276	875617689	/nfs/dbraw/zinc/61/76/89/875617689.db2.gz	PTVVBXSCPMKREH-IUODEOHRSA-N	1	0	360.849	1.713	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc3ncccc32)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106495928	875715144	/nfs/dbraw/zinc/71/51/44/875715144.db2.gz	XIFDTVXYTVLHRO-HUUCEWRRSA-N	1	0	365.437	1.172	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NC(C)C)[C@H](C)C1	ZINC001106530359	875862872	/nfs/dbraw/zinc/86/28/72/875862872.db2.gz	AWXGSGSXNFCSJQ-RBSFLKMASA-N	1	0	366.506	1.505	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1C	ZINC001106562923	875960741	/nfs/dbraw/zinc/96/07/41/875960741.db2.gz	HTKMGWCPGDVMDQ-RTXFEEFZSA-N	1	0	358.280	1.057	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCOC)[C@H](C)C1	ZINC001106563818	875963153	/nfs/dbraw/zinc/96/31/53/875963153.db2.gz	LDNZKXMWZXQGKH-GVDBMIGSSA-N	1	0	353.507	1.426	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NCCC)[C@H](C)C1	ZINC001106567895	875978273	/nfs/dbraw/zinc/97/82/73/875978273.db2.gz	WUKHEELYASAOHD-OWCLPIDISA-N	1	0	366.506	1.509	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@]3(C)C2)cc1	ZINC000993199967	875984899	/nfs/dbraw/zinc/98/48/99/875984899.db2.gz	AZNUVUKCDMZZHN-CNNODRBYSA-N	1	0	367.493	1.929	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccn(CC)c2C)C[C@H]1C	ZINC001106571359	875985428	/nfs/dbraw/zinc/98/54/28/875985428.db2.gz	WRJPIWGBYROKGV-BFYDXBDKSA-N	1	0	360.502	1.805	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(C(F)F)CCCC2)C[C@H]1C	ZINC001106575916	876008367	/nfs/dbraw/zinc/00/83/67/876008367.db2.gz	QHKHFSJDNFBFQW-ZIAGYGMSSA-N	1	0	355.429	1.245	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCCC2(F)F)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106581487	876027492	/nfs/dbraw/zinc/02/74/92/876027492.db2.gz	FNEXPXWTJKAUFN-MCIONIFRSA-N	1	0	356.417	1.136	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc[nH]c2C2CC2)C[C@H]1C	ZINC001106588042	876042341	/nfs/dbraw/zinc/04/23/41/876042341.db2.gz	BOEBRIOTHXWYRE-IIAWOOMASA-N	1	0	356.470	1.328	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc3[nH]ccc3c2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106605290	876162284	/nfs/dbraw/zinc/16/22/84/876162284.db2.gz	JSJGVUFFSCXKCV-CZUORRHYSA-N	1	0	353.426	1.105	20	30		FDEDRO
Cc1cccc(Cl)c1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106622991	876252955	/nfs/dbraw/zinc/25/29/55/876252955.db2.gz	BGKHKEXVQRYOMZ-ZIAGYGMSSA-N	1	0	362.861	1.586	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2cc(C)ccc2C)C[C@H]1C	ZINC001106623204	876253792	/nfs/dbraw/zinc/25/37/92/876253792.db2.gz	MHNZDPZEBSMQBU-IEBWSBKVSA-N	1	0	357.498	1.832	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H](C[NH2+]C[C@H](O)Cn3cccn3)[C@H](C)C2)CC1	ZINC001106629230	876276632	/nfs/dbraw/zinc/27/66/32/876276632.db2.gz	GRIINQRVEPPIRB-KURKYZTESA-N	1	0	360.502	1.675	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)NC(N)=O)[C@H](C)C2)CC1	ZINC001106629644	876278946	/nfs/dbraw/zinc/27/89/46/876278946.db2.gz	QZIXSKCCMSVFAH-MGPQQGTHSA-N	1	0	350.463	1.000	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]C[C@@H](O)Cn3cccn3)[C@H](C)C2)CCC1	ZINC001106632551	876280469	/nfs/dbraw/zinc/28/04/69/876280469.db2.gz	SWNHJOGZNCPEOC-KZNAEPCWSA-N	1	0	360.502	1.675	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106635852	876318926	/nfs/dbraw/zinc/31/89/26/876318926.db2.gz	HQUIMRNXDSTVMH-BLIXFSHQSA-N	1	0	353.466	1.391	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H](NC(=O)[C@H]3CCc4cccnc43)[C@@H](O)C2)cc1	ZINC001083733599	876342092	/nfs/dbraw/zinc/34/20/92/876342092.db2.gz	VJASWRXEYDISRD-OTWHNJEPSA-N	1	0	362.433	1.345	20	30		FDEDRO
COc1ccc(OC)c(C=NOCC(=O)NC2CC[NH+](C3CC3)CC2)c1	ZINC000762664922	876346691	/nfs/dbraw/zinc/34/66/91/876346691.db2.gz	OPNFIPGUTTTYCW-UHFFFAOYSA-N	1	0	361.442	1.797	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]C[C@H](C)CS(C)(=O)=O)[C@H](C)C2)C1	ZINC001106648469	876366457	/nfs/dbraw/zinc/36/64/57/876366457.db2.gz	GPXSBUMAOAOFJY-ARFHVFGLSA-N	1	0	356.532	1.708	20	30		FDEDRO
Cc1cc(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)c(C)n1-c1ccc(C#N)cc1	ZINC000762716855	876458832	/nfs/dbraw/zinc/45/88/32/876458832.db2.gz	KXKMZPTURLDKPM-HXUWFJFHSA-N	1	0	352.438	1.762	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C(C)C)cn2)C[C@H]1C	ZINC001106666332	876475555	/nfs/dbraw/zinc/47/55/55/876475555.db2.gz	KWBSNZRUNGUURF-SOLBZPMBSA-N	1	0	370.497	1.641	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc3cc[nH]c32)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106687005	876565104	/nfs/dbraw/zinc/56/51/04/876565104.db2.gz	JSMMNYDQNRWUKP-UKRRQHHQSA-N	1	0	353.426	1.105	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc3c2OCC3)C[C@H]1C	ZINC001106690148	876582891	/nfs/dbraw/zinc/58/28/91/876582891.db2.gz	VANOXELAXWIHGG-HLLBOEOZSA-N	1	0	369.465	1.057	20	30		FDEDRO
Cc1ccc(N2C[C@@H](C(=O)NC3(C#N)CC[NH+](C)CC3)CC2=O)cc1F	ZINC000917125804	883066683	/nfs/dbraw/zinc/06/66/83/883066683.db2.gz	CWPZVJITPHNJBC-AWEZNQCLSA-N	1	0	358.417	1.591	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2cccc(F)c2F)C[C@H]1C	ZINC001106704911	876879995	/nfs/dbraw/zinc/87/99/95/876879995.db2.gz	ILMBUFDIKCJKGV-UKRRQHHQSA-N	1	0	365.424	1.494	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)N(CC)CC)C[C@H]1C	ZINC001106722377	876961312	/nfs/dbraw/zinc/96/13/12/876961312.db2.gz	WVHRZLOIBDSVSQ-HZPDHXFCSA-N	1	0	359.536	1.308	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1	ZINC001003771321	877182796	/nfs/dbraw/zinc/18/27/96/877182796.db2.gz	GAUWAXZGJZLUHQ-KURKYZTESA-N	1	0	363.502	1.274	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(Cl)cs2)C[C@H]1C	ZINC001106730756	877227330	/nfs/dbraw/zinc/22/73/30/877227330.db2.gz	NZICWKPQCJPEJA-VXGBXAGGSA-N	1	0	353.875	1.449	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2cnc(C)o2)[C@H](C)C1	ZINC001106734236	877282184	/nfs/dbraw/zinc/28/21/84/877282184.db2.gz	SQPWOJAHTNTYBH-QBIMZIAESA-N	1	0	362.474	1.638	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]CCCOC(C)C)[C@H](C)C1	ZINC001106734102	877289193	/nfs/dbraw/zinc/28/91/93/877289193.db2.gz	PKPOXSPLPJRVHG-BHIYHBOVSA-N	1	0	367.534	1.957	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnc(C(C)C)nc2C)C[C@H]1C	ZINC001106735402	877313813	/nfs/dbraw/zinc/31/38/13/877313813.db2.gz	XQQDNYYVSOAPAM-NVXWUHKLSA-N	1	0	358.486	1.856	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccccc2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106738092	877332722	/nfs/dbraw/zinc/33/27/22/877332722.db2.gz	CLVCGSJOKOIXMT-DDBAPUKQSA-N	1	0	354.454	1.114	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(C)C)[C@H](C)C2)cc1	ZINC001106740214	877404303	/nfs/dbraw/zinc/40/43/03/877404303.db2.gz	DTCSKKORILUVNP-SJLPKXTDSA-N	1	0	371.481	1.521	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc3cccnn32)C[C@H]1C	ZINC001106740264	877404453	/nfs/dbraw/zinc/40/44/53/877404453.db2.gz	HGEIBIGDRGDEPZ-OWCLPIDISA-N	1	0	369.469	1.323	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]CCC[C@@H]3CCOC3)[C@H](C)C2)nn1	ZINC001106743887	877427391	/nfs/dbraw/zinc/42/73/91/877427391.db2.gz	XWEVRZITIFSHQR-BRWVUGGUSA-N	1	0	361.490	1.579	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C[C@H]1C	ZINC001106750670	877498312	/nfs/dbraw/zinc/49/83/12/877498312.db2.gz	RTSIXJUJSUKGDB-VYCZESIESA-N	1	0	356.470	1.471	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2[nH]ncc2Br)C[C@H]1C	ZINC001106774064	877725147	/nfs/dbraw/zinc/72/51/47/877725147.db2.gz	WYZYEFPCPQLLJB-VXGBXAGGSA-N	1	0	369.263	1.120	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)c1ccccc1F	ZINC001106776053	877753005	/nfs/dbraw/zinc/75/30/05/877753005.db2.gz	BVMHGMKVXVUBRF-QLFBSQMISA-N	1	0	360.433	1.253	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2ccccc2NC(C)=O)C[C@H]1C	ZINC001106776033	877753559	/nfs/dbraw/zinc/75/35/59/877753559.db2.gz	BAIILEMNZRTJRI-VQIMIIECSA-N	1	0	371.481	1.521	20	30		FDEDRO
COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@]34C[C@H]3COC4)C2)cc1C#N	ZINC000999203295	912273107	/nfs/dbraw/zinc/27/31/07/912273107.db2.gz	OJYMUNKFOOUVTN-ZWOKBUDYSA-N	1	0	355.438	1.684	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3ccnc4[nH]c(CC)nc43)[C@H]2C1	ZINC001083150971	912294354	/nfs/dbraw/zinc/29/43/54/912294354.db2.gz	BBEANYHFGURJSP-LSDHHAIUSA-N	1	0	355.442	1.622	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)C2CC[NH+](C(C)C)CC2)C1	ZINC001004072762	877973920	/nfs/dbraw/zinc/97/39/20/877973920.db2.gz	ZNXGDRCEYJJJQL-MSOLQXFVSA-N	1	0	363.502	1.273	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@]2(C)CCOC2)C[C@H]1C	ZINC001106800744	878022517	/nfs/dbraw/zinc/02/25/17/878022517.db2.gz	IXFMGDYKIIUXEU-HLIPFELVSA-N	1	0	365.518	1.522	20	30		FDEDRO
CN(C)c1ncc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1	ZINC000272613550	878054454	/nfs/dbraw/zinc/05/44/54/878054454.db2.gz	VAYQJNCAWTXWAJ-KRWDZBQOSA-N	1	0	350.426	1.699	20	30		FDEDRO
C=C1CCC(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C2)CC1	ZINC001004118808	878082645	/nfs/dbraw/zinc/08/26/45/878082645.db2.gz	JWSKOUJCOIBNAG-IAGOWNOFSA-N	1	0	356.470	1.845	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(CC)CCOCC2)C[C@H]1C	ZINC001106807499	878096584	/nfs/dbraw/zinc/09/65/84/878096584.db2.gz	QSGNEBWDIFLYQD-HZPDHXFCSA-N	1	0	351.491	1.180	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)C[C@H]1C	ZINC001106815958	878243678	/nfs/dbraw/zinc/24/36/78/878243678.db2.gz	RLQNSCRBBPUSHJ-IXDOHACOSA-N	1	0	361.490	1.579	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H]3CN(C(=O)C[N@H+]4CC[C@@H](C)C4)C[C@]3(C)C2)C1	ZINC000993444222	878245875	/nfs/dbraw/zinc/24/58/75/878245875.db2.gz	ZFULQXHWSDRHNE-LDBYXDLTSA-N	1	0	359.514	1.991	20	30		FDEDRO
CO[C@@]1(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)CCS(=O)(=O)C1	ZINC000922616187	878792346	/nfs/dbraw/zinc/79/23/46/878792346.db2.gz	UGGANTRWSCVDCF-QGZVFWFLSA-N	1	0	351.472	1.330	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCCc2nc(C)no2)C1	ZINC001033087285	878850848	/nfs/dbraw/zinc/85/08/48/878850848.db2.gz	UNAYWOKYVJDOPS-ZACQAIPSSA-N	1	0	362.474	1.825	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCc2cncc(C#N)c2)CC1=O	ZINC000922663251	878937875	/nfs/dbraw/zinc/93/78/75/878937875.db2.gz	FPGHQALYTQQLTF-DLBZAZTESA-N	1	0	356.426	1.329	20	30		FDEDRO
N#Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CCC[NH+]2CCC4)C3)c[nH]1	ZINC001004284583	878947775	/nfs/dbraw/zinc/94/77/75/878947775.db2.gz	JLSPGWDIINWDHK-ZACQAIPSSA-N	1	0	367.453	1.376	20	30		FDEDRO
C#Cc1ccc(CNC(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1	ZINC000922665731	878955024	/nfs/dbraw/zinc/95/50/24/878955024.db2.gz	LPLGNEISAPOBEY-BNDYYXHWSA-N	1	0	355.482	1.947	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1	ZINC001004534942	879810619	/nfs/dbraw/zinc/81/06/19/879810619.db2.gz	CLEMIGMUOKGDCN-JQHSSLGASA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3c3ccsc3)C2)CC1	ZINC000993856276	879922640	/nfs/dbraw/zinc/92/26/40/879922640.db2.gz	XCHHFIILALYYMH-ZWKOTPCHSA-N	1	0	371.506	1.524	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC000993881002	879953203	/nfs/dbraw/zinc/95/32/03/879953203.db2.gz	XOPHAKYTGDDFQF-DJIMGWMZSA-N	1	0	371.485	1.585	20	30		FDEDRO
C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)[C@H](C)C1	ZINC000993908623	880113829	/nfs/dbraw/zinc/11/38/29/880113829.db2.gz	QLDKHEFFUPZLLW-RBSFLKMASA-N	1	0	357.458	1.195	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC000993918443	880147243	/nfs/dbraw/zinc/14/72/43/880147243.db2.gz	LMXYDLOKDIIJAR-MZMPZRCHSA-N	1	0	369.469	1.052	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC000994002650	880372585	/nfs/dbraw/zinc/37/25/85/880372585.db2.gz	DHLKRQQNKVHJMU-QGPMSJSTSA-N	1	0	371.485	1.583	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)c3ccn(C)c3)C[C@H]2C)CC1	ZINC000994133667	880732340	/nfs/dbraw/zinc/73/23/40/880732340.db2.gz	CWOXFKCXENPLSW-VQIMIIECSA-N	1	0	370.497	1.195	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2cocc2C)C[C@H]1C	ZINC000994203907	881027261	/nfs/dbraw/zinc/02/72/61/881027261.db2.gz	RAKZQSJEAGQWHD-KYJSFNMBSA-N	1	0	357.454	1.510	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cc(Cn3cccn3)on2)C[C@H]1C	ZINC001106849972	881092026	/nfs/dbraw/zinc/09/20/26/881092026.db2.gz	NYVKSCAGHQXSKJ-TZMCWYRMSA-N	1	0	363.849	1.970	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCCC(N)=O)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001106855207	881106816	/nfs/dbraw/zinc/10/68/16/881106816.db2.gz	XIRFJOWBTAPBKG-CRAIPNDOSA-N	1	0	356.470	1.788	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)cc(C)c3)C[C@@H]2O)nn1	ZINC001083846696	881190792	/nfs/dbraw/zinc/19/07/92/881190792.db2.gz	NCVXPLXHLJRLCD-MJGOQNOKSA-N	1	0	369.469	1.446	20	30		FDEDRO
C#CCN(C(=O)NCCn1c2ccccc2oc1=O)C1CC[NH+](C)CC1	ZINC000917157878	883148880	/nfs/dbraw/zinc/14/88/80/883148880.db2.gz	SPIYRYGXRVOBJX-UHFFFAOYSA-N	1	0	356.426	1.334	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@]2(C)C=CCC2)C3)CC1	ZINC000999401148	912677337	/nfs/dbraw/zinc/67/73/37/912677337.db2.gz	JQFVWKKQJPHBCE-GHDARCQNSA-N	1	0	369.509	1.936	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNC(=O)N2C[C@@H](C)N(CC#N)[C@@H](C)C2)CC1	ZINC000917419324	883398303	/nfs/dbraw/zinc/39/83/03/883398303.db2.gz	PVJIBSDNXHVBMI-IYBDPMFKSA-N	1	0	365.522	1.504	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N2CCC(CO)([NH2+]C(C)C)CC2)c(C#N)c1	ZINC000917551477	883541925	/nfs/dbraw/zinc/54/19/25/883541925.db2.gz	DAAUANHXNGLFEW-UHFFFAOYSA-N	1	0	351.472	1.380	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCCCOC)C[C@@H]1n1ccnn1	ZINC001128784329	883600185	/nfs/dbraw/zinc/60/01/85/883600185.db2.gz	BYGPURDLWUFXJW-BBWFWOEESA-N	1	0	365.478	1.027	20	30		FDEDRO
CCN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CC[N@H+](Cc2ccc(OC)c(C#N)c2)C1	ZINC001033960516	883629659	/nfs/dbraw/zinc/62/96/59/883629659.db2.gz	VUDIMZUXOWTTGI-BBWFWOEESA-N	1	0	370.453	1.111	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)cc(C)c2)C[C@@H]1n1ccnn1	ZINC001128812293	883702273	/nfs/dbraw/zinc/70/22/73/883702273.db2.gz	UJNAVGAQPJDAAU-MOPGFXCFSA-N	1	0	369.469	1.639	20	30		FDEDRO
Cc1cc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@H](C)C#N)[C@@H](n3ccnn3)C2)c(C)c1	ZINC001128826253	883749708	/nfs/dbraw/zinc/74/97/08/883749708.db2.gz	ZWTOVKAVKBOQPN-QRQLOZEOSA-N	1	0	366.469	1.905	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](CC2CCC3(CC3)CC2)C[C@@H]1n1ccnn1	ZINC001128830161	883755733	/nfs/dbraw/zinc/75/57/33/883755733.db2.gz	NHJNGGVPBLOCHP-OIISXLGYSA-N	1	0	356.474	1.750	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C2CC2)C[C@@H]1n1ccnn1	ZINC001128830605	883757061	/nfs/dbraw/zinc/75/70/61/883757061.db2.gz	UZHRXHABEFNULI-KYNGSXCRSA-N	1	0	364.453	1.857	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)Cc2ccon2)[C@@H](n2ccnn2)C1	ZINC001128855244	883842925	/nfs/dbraw/zinc/84/29/25/883842925.db2.gz	VKXRRDQXCQHWJH-SJORKVTESA-N	1	0	358.446	1.597	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](CCCCCF)C[C@@H]1n1ccnn1	ZINC001128870489	883906722	/nfs/dbraw/zinc/90/67/22/883906722.db2.gz	UIBRYCVVHCLERS-SJORKVTESA-N	1	0	367.469	1.742	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N(C)C1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC001005523109	883917098	/nfs/dbraw/zinc/91/70/98/883917098.db2.gz	XGQQXTIRUFPXLO-KXBFYZLASA-N	1	0	357.454	1.785	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N(C)C1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC001005526378	883931374	/nfs/dbraw/zinc/93/13/74/883931374.db2.gz	RHUTVLJGGGJSHL-KXBFYZLASA-N	1	0	357.454	1.785	20	30		FDEDRO
CCC/C=C\CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](n2ccnn2)C1	ZINC001128891879	883970455	/nfs/dbraw/zinc/97/04/55/883970455.db2.gz	STLSRCBOENTBCA-KKSLTYSGSA-N	1	0	367.457	1.880	20	30		FDEDRO
C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1	ZINC001034249585	883975152	/nfs/dbraw/zinc/97/51/52/883975152.db2.gz	LMDDQWGJWNVDCV-QRVBRYPASA-N	1	0	358.486	1.882	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2CCCC[N@H+](Cc3ccc(C#N)cc3)C2)O1	ZINC001034272647	884064466	/nfs/dbraw/zinc/06/44/66/884064466.db2.gz	NYTDMQITFJOTLT-LSTHTHJFSA-N	1	0	370.497	1.748	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@@H]1n1ccnn1	ZINC001128914138	884101044	/nfs/dbraw/zinc/10/10/44/884101044.db2.gz	RTFJCEGLJRZWFV-CVEARBPZSA-N	1	0	365.428	1.859	20	30		FDEDRO
C=CCN(Cc1ccccc1F)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O	ZINC000918182489	884202508	/nfs/dbraw/zinc/20/25/08/884202508.db2.gz	RWZUWHGUBKJUCW-UHFFFAOYSA-N	1	0	360.433	1.787	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(c3ccc(C#N)c(C)n3)C2)CC[N@@H+]1C	ZINC001061758031	884463113	/nfs/dbraw/zinc/46/31/13/884463113.db2.gz	VIHLGVHVIVTGLD-RYQLBKOJSA-N	1	0	355.486	1.935	20	30		FDEDRO
N#CCOc1cccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1	ZINC000918449997	884479744	/nfs/dbraw/zinc/47/97/44/884479744.db2.gz	VIYUTRORYSKMKR-INIZCTEOSA-N	1	0	356.426	1.614	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCCCCF)C[C@@H]1n1ccnn1	ZINC001128961336	884484801	/nfs/dbraw/zinc/48/48/01/884484801.db2.gz	CNCIJPOSIHBFCD-VYDXJSESSA-N	1	0	353.442	1.087	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@@H]1n1ccnn1	ZINC001128975932	884543376	/nfs/dbraw/zinc/54/33/76/884543376.db2.gz	AJYWMRWTIYRGSS-CABCVRRESA-N	1	0	351.401	1.324	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)C[C@@H]1n1ccnn1	ZINC001128985250	884724670	/nfs/dbraw/zinc/72/46/70/884724670.db2.gz	KLDYFDOPAAYZGR-XHSDSOJGSA-N	1	0	363.412	1.468	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cnn(C3CCC3)c2)[C@@H](n2ccnn2)C1	ZINC001128985735	884731934	/nfs/dbraw/zinc/73/19/34/884731934.db2.gz	SERSELMEILVECQ-MSOLQXFVSA-N	1	0	369.473	1.821	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000245990706	884763859	/nfs/dbraw/zinc/76/38/59/884763859.db2.gz	HWHXJPDNKHMOPY-KGLIPLIRSA-N	1	0	374.489	1.685	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCO)C1	ZINC001112543428	884768504	/nfs/dbraw/zinc/76/85/04/884768504.db2.gz	YZKKMQMAJDZSHR-JPLJXNOCSA-N	1	0	350.503	1.958	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)COc2cc(C)ccc2F)[C@@H](n2ccnn2)C1	ZINC001128989493	884829533	/nfs/dbraw/zinc/82/95/33/884829533.db2.gz	OPRGYNXGGREDLK-SJORKVTESA-N	1	0	371.416	1.169	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]CCCOCC)[C@H](C)C1	ZINC001106892174	884900135	/nfs/dbraw/zinc/90/01/35/884900135.db2.gz	ROGFADQOAMPWEY-IAGOWNOFSA-N	1	0	359.470	1.818	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]CCOCC2CC2)[C@H](C)C1	ZINC001106892473	884951594	/nfs/dbraw/zinc/95/15/94/884951594.db2.gz	XXYANDRZDPTSLE-SJLPKXTDSA-N	1	0	371.481	1.818	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2nncn2C)CC1	ZINC001034753142	884963821	/nfs/dbraw/zinc/96/38/21/884963821.db2.gz	AETVPGFMXZDLMM-WOYTXXSLSA-N	1	0	361.490	1.874	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCCN(C)C2=O)CC1	ZINC001034753505	884964497	/nfs/dbraw/zinc/96/44/97/884964497.db2.gz	ILSYXOMHDOMGGA-ATIWLJMLSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1	ZINC001034753985	884965618	/nfs/dbraw/zinc/96/56/18/884965618.db2.gz	OAIKCLBWXZCVRC-LSTDLKDCSA-N	1	0	356.470	1.804	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ncnn2CC)C1	ZINC000999524028	912884706	/nfs/dbraw/zinc/88/47/06/912884706.db2.gz	NVWWERGHGPDCQI-OBQMCRIKSA-N	1	0	361.490	1.748	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2nn(C)cc2Cl)[C@@H](n2ccnn2)C1	ZINC001129009784	885052753	/nfs/dbraw/zinc/05/27/53/885052753.db2.gz	POWKQCOFELXUHJ-KGLIPLIRSA-N	1	0	363.853	1.287	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccnn2C(C)C)[C@@H](n2ccnn2)C1	ZINC001129009473	885067087	/nfs/dbraw/zinc/06/70/87/885067087.db2.gz	BLCDXHUTIPQVQT-WBVHZDCISA-N	1	0	357.462	1.677	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]Cc2ccc(CNC(=O)[C@]34C[C@H]3COC4)cc2)C1=O	ZINC001034816955	885151242	/nfs/dbraw/zinc/15/12/42/885151242.db2.gz	AWPFCFHRDIJOQH-WFXMLNOXSA-N	1	0	369.465	1.216	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@@H]1n1ccnn1	ZINC001129025191	885280460	/nfs/dbraw/zinc/28/04/60/885280460.db2.gz	GXVYMEDIGNTEHJ-KURKYZTESA-N	1	0	361.490	1.935	20	30		FDEDRO
C=C(C)COCCNC(=O)c1nnn(-c2cccc3c2CC[N@@H+](C)C3)c1C	ZINC000675576954	885304560	/nfs/dbraw/zinc/30/45/60/885304560.db2.gz	DKBUYTIDFAINER-UHFFFAOYSA-N	1	0	369.469	1.886	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H](OC)C3CCCC3)C[C@@H]2O)cn1	ZINC001083970850	912924523	/nfs/dbraw/zinc/92/45/23/912924523.db2.gz	KJBMBZYBWXROMC-CEXWTWQISA-N	1	0	357.454	1.043	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001034939352	885383980	/nfs/dbraw/zinc/38/39/80/885383980.db2.gz	WRFIRGNTBIORSS-ZTFGCOKTSA-N	1	0	354.454	1.554	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cncc(OC)n1	ZINC001034941037	885392503	/nfs/dbraw/zinc/39/25/03/885392503.db2.gz	DHNXAUVOPDQVDM-ZACQAIPSSA-N	1	0	360.458	1.547	20	30		FDEDRO
C=CCN1CC[C@H]([NH+]2CCC(N(C)C(=O)[C@@H]3CCO[C@H]3CC)CC2)C1=O	ZINC001005752368	885486602	/nfs/dbraw/zinc/48/66/02/885486602.db2.gz	UYTKEYGGPLGRRZ-SQNIBIBYSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=CCCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001061833011	885550965	/nfs/dbraw/zinc/55/09/65/885550965.db2.gz	OVKQSZMZQWPQOO-IXDOHACOSA-N	1	0	351.491	1.417	20	30		FDEDRO
C#CCN(C(=O)NCc1cccc(-n2cncn2)c1)C1CC[NH+](C)CC1	ZINC000919320590	885579247	/nfs/dbraw/zinc/57/92/47/885579247.db2.gz	HSIGVYULWSJTQZ-UHFFFAOYSA-N	1	0	352.442	1.506	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2c(C)ncn2C)[C@@H](n2ccnn2)C1	ZINC001129054327	885586676	/nfs/dbraw/zinc/58/66/76/885586676.db2.gz	CGXJLOTWPPKPMJ-BMFZPTHFSA-N	1	0	357.462	1.330	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)CC(C)(C)C1	ZINC001089492585	885643092	/nfs/dbraw/zinc/64/30/92/885643092.db2.gz	KSAAHRAPSMJOLI-XHSDSOJGSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC(C)(C)C1	ZINC001089491868	885646150	/nfs/dbraw/zinc/64/61/50/885646150.db2.gz	XAVLKEPSLFQDDT-MELADBBJSA-N	1	0	357.882	1.379	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)CC(C)(C)C1	ZINC001089492361	885658835	/nfs/dbraw/zinc/65/88/35/885658835.db2.gz	HQUZCSXTYVGFQV-ZACQAIPSSA-N	1	0	363.502	1.463	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)C(C)C)[C@H](C)C2)cn1	ZINC001106894185	885712331	/nfs/dbraw/zinc/71/23/31/885712331.db2.gz	DSLCRVIBGCUZAY-NVXWUHKLSA-N	1	0	356.470	1.227	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccnc(OC)c2)[C@@H](n2ccnn2)C1	ZINC001129090017	885716225	/nfs/dbraw/zinc/71/62/25/885716225.db2.gz	RCXIQHFJURZZOQ-OIISXLGYSA-N	1	0	370.457	1.692	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)C(=O)Nc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129090034	885717854	/nfs/dbraw/zinc/71/78/54/885717854.db2.gz	RKLQEBMIPGLYHU-SJORKVTESA-N	1	0	368.441	1.225	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[C@H](C)c2cnn(C)c2)[C@@H](n2ccnn2)C1	ZINC001129128114	885824978	/nfs/dbraw/zinc/82/49/78/885824978.db2.gz	QCBAFDHDXJYMII-JQHSSLGASA-N	1	0	371.489	1.513	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2c(C)nn(C)c2C)[C@@H](n2ccnn2)C1	ZINC001129139648	885842881	/nfs/dbraw/zinc/84/28/81/885842881.db2.gz	QSLRARPTPUIJNG-CVEARBPZSA-N	1	0	357.462	1.250	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC2CCOCC2)CCO1	ZINC001035370108	885923734	/nfs/dbraw/zinc/92/37/34/885923734.db2.gz	HQNWFUGZAUZUAW-KURKYZTESA-N	1	0	352.475	1.211	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@H]2CN(Cc3ccc(C#N)cc3)CCO2)CC[N@@H+]1C	ZINC001035375573	885948226	/nfs/dbraw/zinc/94/82/26/885948226.db2.gz	KPQWLAYPDRZTQU-AYOQOUSVSA-N	1	0	356.470	1.215	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C)cc2OC)C[C@H]1C	ZINC001106896373	886025400	/nfs/dbraw/zinc/02/54/00/886025400.db2.gz	ISDPGIUNHVNWDD-HZPDHXFCSA-N	1	0	359.470	1.604	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@]2(F)CCOC2)[C@@H](n2ccnn2)C1	ZINC001129194423	886174116	/nfs/dbraw/zinc/17/41/16/886174116.db2.gz	DNPORZSOCHBHSC-SOLBZPMBSA-N	1	0	365.453	1.495	20	30		FDEDRO
C[C@@H](Nc1ccc(C#N)nn1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001061889101	886219525	/nfs/dbraw/zinc/21/95/25/886219525.db2.gz	AFAGZSMSFFTELE-CKEIUWERSA-N	1	0	356.474	1.727	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CN(Cc3cnc(C)cn3)C2)CC1	ZINC001035800775	886482485	/nfs/dbraw/zinc/48/24/85/886482485.db2.gz	KWXHYGVRZUGNHH-MSOLQXFVSA-N	1	0	356.470	1.801	20	30		FDEDRO
C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)CC1	ZINC001040852536	886504608	/nfs/dbraw/zinc/50/46/08/886504608.db2.gz	AFODZMYUPQAFPZ-CABCVRRESA-N	1	0	353.894	1.955	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1	ZINC000994660198	886590952	/nfs/dbraw/zinc/59/09/52/886590952.db2.gz	WKQIEUAMZUAHNR-HDMKZQKVSA-N	1	0	360.502	1.479	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CCCCCF)C[C@@H]2n2ccnn2)c1	ZINC001129242957	886791240	/nfs/dbraw/zinc/79/12/40/886791240.db2.gz	CLDRJSJQHBRYFJ-MSOLQXFVSA-N	1	0	370.432	1.450	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3nc[nH]c32)[C@@H](n2ccnn2)C1	ZINC001129248950	886823712	/nfs/dbraw/zinc/82/37/12/886823712.db2.gz	SLOSCGLJDJGENG-OIISXLGYSA-N	1	0	369.473	1.429	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH+](C)C	ZINC001062240083	886996231	/nfs/dbraw/zinc/99/62/31/886996231.db2.gz	GIVTZXATAQHOSB-ZACQAIPSSA-N	1	0	351.491	1.417	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CNC(=O)CSCC#N)CC[N@@H+]1C	ZINC001062241475	887003278	/nfs/dbraw/zinc/00/32/78/887003278.db2.gz	QYPAOIRIFXFIQZ-OWCLPIDISA-N	1	0	366.531	1.471	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N(CCC)CC[NH+](C)C)cc1	ZINC000921088798	887437735	/nfs/dbraw/zinc/43/77/35/887437735.db2.gz	RSCRNARKGNIXHG-UHFFFAOYSA-N	1	0	351.472	1.012	20	30		FDEDRO
CC(C)[NH+](CCCNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1)C(C)C	ZINC000921150116	887480122	/nfs/dbraw/zinc/48/01/22/887480122.db2.gz	FJLGMAKHQFKEGH-WBVHZDCISA-N	1	0	370.519	1.075	20	30		FDEDRO
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N(CCC[NH3+])CC2CCCC2)n1	ZINC000415708864	887601485	/nfs/dbraw/zinc/60/14/85/887601485.db2.gz	IMDGUQQJJBYSMB-UHFFFAOYSA-N	1	0	374.489	1.816	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1	ZINC000946839346	887640206	/nfs/dbraw/zinc/64/02/06/887640206.db2.gz	TXSBCWZHDLCVDT-KURKYZTESA-N	1	0	361.486	1.027	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ccccc3OC)C2)CC1	ZINC000921425589	887938797	/nfs/dbraw/zinc/93/87/97/887938797.db2.gz	JTBLGISJCIBQNO-QGZVFWFLSA-N	1	0	356.470	1.671	20	30		FDEDRO
C[C@@H]1[C@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[N@@H+]1C	ZINC000923090745	888001755	/nfs/dbraw/zinc/00/17/55/888001755.db2.gz	DWPRIAPSMBNYDI-DNVCBOLYSA-N	1	0	355.486	1.914	20	30		FDEDRO
COC(OC)[C@H](C)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000923092273	888006550	/nfs/dbraw/zinc/00/65/50/888006550.db2.gz	PYVKBWXLDRNISW-AWEZNQCLSA-N	1	0	360.458	1.829	20	30		FDEDRO
C[NH+](C)CC[C@@H](NS(=O)(=O)c1ccc(C#N)s1)c1cccnc1	ZINC000921479184	888051754	/nfs/dbraw/zinc/05/17/54/888051754.db2.gz	CPYPBCPOSLNNDR-CQSZACIVSA-N	1	0	350.469	1.986	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCCc2cccc(F)c2)C[C@H]1OC	ZINC001212258263	888079126	/nfs/dbraw/zinc/07/91/26/888079126.db2.gz	PNMYYQMNDWQJMR-KFKAGJAMSA-N	1	0	362.445	1.612	20	30		FDEDRO
CCC[N@H+](CC)CCNC(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C	ZINC000462092689	888209624	/nfs/dbraw/zinc/20/96/24/888209624.db2.gz	MPSCNQXSSVTJKY-UHFFFAOYSA-N	1	0	355.446	2.301	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCc2ccc(CC)cc2)C[C@H]1OC	ZINC001212264169	888222526	/nfs/dbraw/zinc/22/25/26/888222526.db2.gz	BNFQWXVBZLQCGO-PWIZWCRZSA-N	1	0	358.482	1.645	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C2CC2)[NH+](C)C)c1	ZINC001005972932	888300940	/nfs/dbraw/zinc/30/09/40/888300940.db2.gz	AMURJFMKSIROJV-YRXWBPOGSA-N	1	0	366.465	1.265	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000938350432	888439456	/nfs/dbraw/zinc/43/94/56/888439456.db2.gz	XAIZGGRNIBPJNX-SZMVWBNQSA-N	1	0	368.437	1.646	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1	ZINC000999770347	913256623	/nfs/dbraw/zinc/25/66/23/913256623.db2.gz	LFVIAXZBEDGYTF-KURKYZTESA-N	1	0	351.491	1.023	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N(C)C1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC001006001413	888619792	/nfs/dbraw/zinc/61/97/92/888619792.db2.gz	NITWFRQMVYXRBO-MOPGFXCFSA-N	1	0	368.481	1.705	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)C2)CC1	ZINC000938433410	888663363	/nfs/dbraw/zinc/66/33/63/888663363.db2.gz	ZRPNQVJLXXGFMB-LWYYNNOASA-N	1	0	371.525	1.875	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC000999750962	913287046	/nfs/dbraw/zinc/28/70/46/913287046.db2.gz	MTSVAWQSYVLAIC-JEWKUQAESA-N	1	0	355.276	1.899	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)CN2CCC[C@@H](C[NH3+])[C@H]2C(F)(F)F)cc1	ZINC000923401901	889142322	/nfs/dbraw/zinc/14/23/22/889142322.db2.gz	ZXWWMHDXMDMOOC-DZKIICNBSA-N	1	0	357.376	1.900	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](OCC[NH+](CC)CC)C2)C1	ZINC000658659733	889198680	/nfs/dbraw/zinc/19/86/80/889198680.db2.gz	KDYFOQOCUKNEIO-QZTJIDSGSA-N	1	0	365.518	1.760	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)CN2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c(OC)c1	ZINC000923430607	889227372	/nfs/dbraw/zinc/22/73/72/889227372.db2.gz	IDLDQXNCTSVVSC-RRFJBIMHSA-N	1	0	374.403	1.985	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCN(C)S1(=O)=O)C2	ZINC001112543495	889265521	/nfs/dbraw/zinc/26/55/21/889265521.db2.gz	DGOAUFSRMUAGMU-JZXOWHBKSA-N	1	0	369.531	1.205	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)[C@@H](C)C1	ZINC000245947620	889351024	/nfs/dbraw/zinc/35/10/24/889351024.db2.gz	BQUASDJXLOBPEX-FHWLQOOXSA-N	1	0	363.550	1.341	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN2C(=O)C(C)C)[C@@H](O)C1	ZINC001084085721	913349396	/nfs/dbraw/zinc/34/93/96/913349396.db2.gz	CJASUKVNZRIQOD-IKGGRYGDSA-N	1	0	351.491	1.151	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@H]1CCCN(CC(C)(C)C)C1=O	ZINC001127604346	889489864	/nfs/dbraw/zinc/48/98/64/889489864.db2.gz	DDKBIQNXCDTSDB-IKGGRYGDSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)Nc1nccs1	ZINC001127605274	889513767	/nfs/dbraw/zinc/51/37/67/889513767.db2.gz	WJKDTUMUPPUTND-XQQFMLRXSA-N	1	0	352.460	1.157	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)COc1ccccc1F	ZINC001127609170	889737911	/nfs/dbraw/zinc/73/79/11/889737911.db2.gz	NRVZQFOCZDQWHG-UXLLHSPISA-N	1	0	366.433	1.252	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)c1ccccc1	ZINC001127609314	889741324	/nfs/dbraw/zinc/74/13/24/889741324.db2.gz	VIWSCUJZLAQHSZ-JQHSSLGASA-N	1	0	359.470	1.725	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)COc2c(C)nn(C)c2C)[C@H](OC)C1	ZINC001212291280	889784525	/nfs/dbraw/zinc/78/45/25/889784525.db2.gz	FVMIHKMAEUICSZ-HZPDHXFCSA-N	1	0	350.463	1.197	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)Nc1cccc(F)c1	ZINC001127612900	889923050	/nfs/dbraw/zinc/92/30/50/889923050.db2.gz	GGNSUYSYTXVSLC-XYPHTWIQSA-N	1	0	363.433	1.840	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)CCN2CCN(c3ccccc3)CC2)CC1	ZINC000265717424	913401667	/nfs/dbraw/zinc/40/16/67/913401667.db2.gz	JWYYWTCGTPVGBW-UHFFFAOYSA-N	1	0	368.525	1.612	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)Cn2cc(Cl)cn2)[C@@H](n2ccnn2)C1	ZINC001129288954	890066453	/nfs/dbraw/zinc/06/64/53/890066453.db2.gz	MMEDXINPANZNLB-CABCVRRESA-N	1	0	363.853	1.136	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2csc(C)n2)C1	ZINC000939292752	890381199	/nfs/dbraw/zinc/38/11/99/890381199.db2.gz	RIMCFUMOYUSUNA-XPKDYRNWSA-N	1	0	360.483	1.126	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cn1	ZINC000939329487	890457740	/nfs/dbraw/zinc/45/77/40/890457740.db2.gz	CBBNUUXRDRLFKG-PASDCYSWSA-N	1	0	368.481	1.370	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1(CNC(=O)[C@@H](C2CC2)[NH+](C)C)CCC1	ZINC001063364755	890487206	/nfs/dbraw/zinc/48/72/06/890487206.db2.gz	FOVQXXGOBQWDAT-IXDOHACOSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC001006181136	890537558	/nfs/dbraw/zinc/53/75/58/890537558.db2.gz	RTNFTZHYYISYMB-OIISXLGYSA-N	1	0	361.486	1.027	20	30		FDEDRO
C=CCO[C@H](C)C(=O)NCC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCC1	ZINC001063428546	890538974	/nfs/dbraw/zinc/53/89/74/890538974.db2.gz	RLVPDEFXMXDXQT-OWCLPIDISA-N	1	0	351.491	1.463	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1	ZINC000939490232	890740940	/nfs/dbraw/zinc/74/09/40/890740940.db2.gz	FSXQKSROKIWCBN-RHSMWYFYSA-N	1	0	357.458	1.195	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1ccncc1	ZINC001127648289	891311770	/nfs/dbraw/zinc/31/17/70/891311770.db2.gz	NDXBRBIYTIIIHQ-ZWKOTPCHSA-N	1	0	350.422	1.971	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC[NH+](CC(=O)N2CCCC2)CC1	ZINC001001931182	891636211	/nfs/dbraw/zinc/63/62/11/891636211.db2.gz	LMXVVHVXUHKPKB-HKUYNNGSSA-N	1	0	363.502	1.418	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCCO4)[C@@H]3C2)cc1	ZINC001084173531	913580830	/nfs/dbraw/zinc/58/08/30/913580830.db2.gz	TVQACRMQEORGMQ-BHIYHBOVSA-N	1	0	355.438	1.801	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)COCc2nccn2C)[C@H](OC)C1	ZINC001212444101	891929718	/nfs/dbraw/zinc/92/97/18/891929718.db2.gz	CJSWDQPACXWXSH-ARFHVFGLSA-N	1	0	350.463	1.107	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CC[NH+]2CCCCC2)c[nH]1	ZINC001002140658	892024546	/nfs/dbraw/zinc/02/45/46/892024546.db2.gz	CRWHJCDILQNHCZ-KURKYZTESA-N	1	0	369.469	1.624	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1	ZINC001002202174	892149134	/nfs/dbraw/zinc/14/91/34/892149134.db2.gz	SYPJPYCZODTREN-BZSNNMDCSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001002256849	892387039	/nfs/dbraw/zinc/38/70/39/892387039.db2.gz	AVZHQURXCOTPPW-FJIDUMEYSA-N	1	0	363.502	1.273	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)C(C3CC3)C3CC3)C2)CC1	ZINC000940466922	892506224	/nfs/dbraw/zinc/50/62/24/892506224.db2.gz	CVNCMUIDWZSGGY-DNVCBOLYSA-N	1	0	371.525	1.731	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccoc1CC)C2	ZINC001002324673	892562599	/nfs/dbraw/zinc/56/25/99/892562599.db2.gz	HEHUKSQFXJUSQL-BGTYHANMSA-N	1	0	369.465	1.801	20	30		FDEDRO
C[C@@H]1CN(C(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1	ZINC000253603359	892625830	/nfs/dbraw/zinc/62/58/30/892625830.db2.gz	KIBQBRFISMGCRK-HDICACEKSA-N	1	0	370.497	1.702	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC2(F)F)C3)CC1	ZINC001002447263	892926340	/nfs/dbraw/zinc/92/63/40/892926340.db2.gz	RJHLYNASUICQCI-QXSJWSMHSA-N	1	0	365.424	1.235	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(F)F)o2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106932265	893026664	/nfs/dbraw/zinc/02/66/64/893026664.db2.gz	XKRYCZIPEMLWSI-GHMZBOCLSA-N	1	0	354.357	1.155	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1	ZINC000940741998	893063573	/nfs/dbraw/zinc/06/35/73/893063573.db2.gz	VXYFWOYIPHZGJU-AVEIZBFRSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(F)cc2F)C[C@H]1C	ZINC001106940014	893114488	/nfs/dbraw/zinc/11/44/88/893114488.db2.gz	XZVSUWVFWZSAIZ-CHWSQXEVSA-N	1	0	351.397	1.565	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccnc2OCC)C[C@H]1C	ZINC001106940587	893182628	/nfs/dbraw/zinc/18/26/28/893182628.db2.gz	WVPFTLGKTDPIHY-HUUCEWRRSA-N	1	0	360.458	1.080	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](NC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)CC1	ZINC000940782461	893222034	/nfs/dbraw/zinc/22/20/34/893222034.db2.gz	MGLWSKSVQQZGBP-PIKOESSRSA-N	1	0	369.509	1.651	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1	ZINC001002603315	893371508	/nfs/dbraw/zinc/37/15/08/893371508.db2.gz	JPCQUDKMRMNAKB-YRXWBPOGSA-N	1	0	357.498	1.911	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)C[NH+](CC)CC)CC2	ZINC001061137935	893787455	/nfs/dbraw/zinc/78/74/55/893787455.db2.gz	PKXGVXMOJJMJGL-SJORKVTESA-N	1	0	363.502	1.370	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCCCC)C[C@H]1C	ZINC001106947776	893816272	/nfs/dbraw/zinc/81/62/72/893816272.db2.gz	KQRTZLJBPHBSLJ-HZPDHXFCSA-N	1	0	366.506	1.653	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@@H](CC)C[NH+]1CCCC1	ZINC000672579921	894036117	/nfs/dbraw/zinc/03/61/17/894036117.db2.gz	OFYAIXPOKIHBLP-KRWDZBQOSA-N	1	0	359.470	1.858	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1	ZINC000941200432	894097983	/nfs/dbraw/zinc/09/79/83/894097983.db2.gz	IXKBHUQSFVUFHR-KSZLIROESA-N	1	0	365.518	1.615	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccccc2Cl)C[C@H]1C	ZINC001106953023	894314366	/nfs/dbraw/zinc/31/43/66/894314366.db2.gz	LOFMOQUYJQTPCW-GDBMZVCRSA-N	1	0	363.889	1.869	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)C[C@@]1(C)CC1(Cl)Cl	ZINC000922023959	894433765	/nfs/dbraw/zinc/43/37/65/894433765.db2.gz	YAGKZFNHXQLQSP-CYBMUJFWSA-N	1	0	353.315	1.930	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-]	ZINC000922024220	894439419	/nfs/dbraw/zinc/43/94/19/894439419.db2.gz	NMAFUSRZYYWLAI-UHFFFAOYSA-N	1	0	365.455	1.930	20	30		FDEDRO
C#CC[C@@H](CO)NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C	ZINC000922021121	894442898	/nfs/dbraw/zinc/44/28/98/894442898.db2.gz	LPDZNNDXSSDPKJ-GJZGRUSLSA-N	1	0	357.376	1.992	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(F)cc(OC)cc1F	ZINC000922024920	894521004	/nfs/dbraw/zinc/52/10/04/894521004.db2.gz	UXZFNMLYNJODHM-UHFFFAOYSA-N	1	0	358.410	1.692	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cn1	ZINC000922026670	894545131	/nfs/dbraw/zinc/54/51/31/894545131.db2.gz	WHPWGMVAUMMQTG-UHFFFAOYSA-N	1	0	361.389	1.819	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccccc2OC)C[C@H]1C	ZINC001106957066	894959294	/nfs/dbraw/zinc/95/92/94/894959294.db2.gz	NGJXWDOYLYIKNY-JFIYKMOQSA-N	1	0	371.481	1.060	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cnnn3)cc2)C[C@H]1C	ZINC001106957304	894988373	/nfs/dbraw/zinc/98/83/73/894988373.db2.gz	YITPQKCAJGAEHO-NVXWUHKLSA-N	1	0	370.457	1.163	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1	ZINC000941791421	895768473	/nfs/dbraw/zinc/76/84/73/895768473.db2.gz	RALNWGGMRDDDLH-OWCLPIDISA-N	1	0	351.491	1.413	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1	ZINC000941791405	895768997	/nfs/dbraw/zinc/76/89/97/895768997.db2.gz	QSOFHEHKUJYEJR-BRWVUGGUSA-N	1	0	365.518	1.804	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc3ccccc3[nH]2)C[C@H]1C	ZINC001106961346	895860224	/nfs/dbraw/zinc/86/02/24/895860224.db2.gz	UIFHZXGETSEPKA-BFYDXBDKSA-N	1	0	366.465	1.604	20	30		FDEDRO
C=C[C@@H](C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1)c1ccccc1	ZINC000941873406	895943214	/nfs/dbraw/zinc/94/32/14/895943214.db2.gz	UKMCKOWRZAMBCY-GUDVDZBRSA-N	1	0	371.481	1.394	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2sc(C)nc2C)C[C@H]1C	ZINC001106962446	896017807	/nfs/dbraw/zinc/01/78/07/896017807.db2.gz	JZZRJGGIABMPMB-UXIGCNINSA-N	1	0	362.499	1.196	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@@H+](CCCC)C2)nn1	ZINC000999988003	896521127	/nfs/dbraw/zinc/52/11/27/896521127.db2.gz	RUWGIXQINADGRL-KSZLIROESA-N	1	0	361.490	1.922	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3sccc3C)nn2)C1	ZINC000999992801	896533611	/nfs/dbraw/zinc/53/36/11/896533611.db2.gz	RGJLRPIEFYGOKF-BRWVUGGUSA-N	1	0	369.494	1.948	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3cccnc3)nn2)C1	ZINC001000024678	896591821	/nfs/dbraw/zinc/59/18/21/896591821.db2.gz	KWLXXWSDOQJPAL-GBESFXJTSA-N	1	0	364.453	1.363	20	30		FDEDRO
C#CC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@@H]3CCCO[C@H]3C=C)C2)n1	ZINC001128107669	896969921	/nfs/dbraw/zinc/96/99/21/896969921.db2.gz	XOPHMFBDQFOJRL-QRVBRYPASA-N	1	0	368.481	1.481	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccc(F)cc2)C[C@H]1OC	ZINC001212348858	896979039	/nfs/dbraw/zinc/97/90/39/896979039.db2.gz	CVFCLAYDAIOLRM-IPMKNSEASA-N	1	0	364.461	1.901	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1	ZINC000942448068	897019797	/nfs/dbraw/zinc/01/97/97/897019797.db2.gz	UTLBEHBEOIHWDT-QRVBRYPASA-N	1	0	371.481	1.670	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1O	ZINC001078027935	897655982	/nfs/dbraw/zinc/65/59/82/897655982.db2.gz	PXRKHKSSLPJKQS-QZTJIDSGSA-N	1	0	357.454	1.449	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1	ZINC000995268237	897656630	/nfs/dbraw/zinc/65/66/30/897656630.db2.gz	RYZPQXNBMLNPEX-YZGWKJHDSA-N	1	0	370.497	1.084	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCC(F)(F)C3)C[C@H]2O)nc1	ZINC001078030076	897665091	/nfs/dbraw/zinc/66/50/91/897665091.db2.gz	GVGCRQJPVCAINR-USXIJHARSA-N	1	0	363.408	1.663	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCC3(F)F)C[C@H]2O)nc1	ZINC001078031487	897672642	/nfs/dbraw/zinc/67/26/42/897672642.db2.gz	WQGUKEOSWNFFQV-DJIMGWMZSA-N	1	0	363.408	1.663	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCc4ccccc43)C[C@H]2O)cn1	ZINC001078033310	897683437	/nfs/dbraw/zinc/68/34/37/897683437.db2.gz	CESGPKNJPPEOGK-QHAWAJNXSA-N	1	0	361.445	1.915	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC000995270785	897700332	/nfs/dbraw/zinc/70/03/32/897700332.db2.gz	DXBYUGIUVQPCMI-QRVBRYPASA-N	1	0	370.497	1.820	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2scnc2Cl)C[C@H]1C	ZINC001106988788	897721944	/nfs/dbraw/zinc/72/19/44/897721944.db2.gz	QZXHNQQIPKCCRY-GRYCIOLGSA-N	1	0	368.890	1.232	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC000995276220	897770790	/nfs/dbraw/zinc/77/07/90/897770790.db2.gz	VXEDOEHKMZSZPF-OTWHNJEPSA-N	1	0	368.481	1.267	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1	ZINC000942811197	897824947	/nfs/dbraw/zinc/82/49/47/897824947.db2.gz	LVHRQHDRYRRFBX-KURKYZTESA-N	1	0	363.502	1.513	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)C1(C[NH+](C)C)CC1	ZINC001078073553	897839973	/nfs/dbraw/zinc/83/99/73/897839973.db2.gz	LERBSOPPBYFHHV-ULQDDVLXSA-N	1	0	365.518	1.711	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@H]1O	ZINC001078082840	897911746	/nfs/dbraw/zinc/91/17/46/897911746.db2.gz	WWGNARLSRZAUGE-QHAWAJNXSA-N	1	0	370.493	1.313	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1	ZINC000942983091	898237180	/nfs/dbraw/zinc/23/71/80/898237180.db2.gz	PESCGBNEJJSHCU-KURKYZTESA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21	ZINC001084372301	914239896	/nfs/dbraw/zinc/23/98/96/914239896.db2.gz	ORCXAPMPTOVLFU-BZUAXINKSA-N	1	0	366.893	1.555	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2N(C(=O)C(C)C)CC3)CC1	ZINC000995323532	898412176	/nfs/dbraw/zinc/41/21/76/898412176.db2.gz	LSOHJOOPGOVGFR-WIYYLYMNSA-N	1	0	359.514	1.875	20	30		FDEDRO
C#CC[C@@H](CO)NC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1	ZINC000921801872	898561994	/nfs/dbraw/zinc/56/19/94/898561994.db2.gz	YBBNKANIBLHCMI-SFHVURJKSA-N	1	0	359.470	1.387	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2CCCCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000943287944	898630455	/nfs/dbraw/zinc/63/04/55/898630455.db2.gz	RMBGQFJKBYTOCA-FVQBIDKESA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2ccccn2)C1	ZINC001078402446	898733776	/nfs/dbraw/zinc/73/37/76/898733776.db2.gz	NSIJGTSDSSIPED-QRVBRYPASA-N	1	0	359.470	1.770	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cnc(C)o2)C1	ZINC001078402419	898733936	/nfs/dbraw/zinc/73/39/36/898733936.db2.gz	NBKQPARUEQRNKT-KSZLIROESA-N	1	0	363.458	1.671	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cc(C)no2)C1	ZINC001078402594	898734980	/nfs/dbraw/zinc/73/49/80/898734980.db2.gz	SAPQHERUWVVTHS-KURKYZTESA-N	1	0	363.458	1.671	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cncc(C)c2)C1	ZINC001078472031	898800485	/nfs/dbraw/zinc/80/04/85/898800485.db2.gz	MCZBINPDNFGNCE-QRVBRYPASA-N	1	0	359.470	1.688	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cc(C)ncn2)C1	ZINC001078473847	898807231	/nfs/dbraw/zinc/80/72/31/898807231.db2.gz	MGGMIDSKJVRQOP-KURKYZTESA-N	1	0	360.458	1.083	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)C[N@@H+]1CCC(C)(C)C1	ZINC001078481602	898826332	/nfs/dbraw/zinc/82/63/32/898826332.db2.gz	YNHWQBWSRGGULK-BQFCYCMXSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cncn2C)C1	ZINC001078486648	898844012	/nfs/dbraw/zinc/84/40/12/898844012.db2.gz	ZZDQWIQBZGGIEU-BZSNNMDCSA-N	1	0	362.474	1.108	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@]2(CNC(=O)c3ccn4c[nH+]cc4c3)CCC[C@@H]12	ZINC000995355908	898940763	/nfs/dbraw/zinc/94/07/63/898940763.db2.gz	GXQHLCONZAYGPL-JNAXZKDPSA-N	1	0	365.437	1.995	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000656192242	899022426	/nfs/dbraw/zinc/02/24/26/899022426.db2.gz	HGAMDWBUARIZFE-WCIQWLHISA-N	1	0	373.497	1.902	20	30		FDEDRO
CCn1nc(C)c(C(=O)N2C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C2)c1Cl	ZINC001107001075	899044667	/nfs/dbraw/zinc/04/46/67/899044667.db2.gz	JEVVFXHMAXTKPB-UKRRQHHQSA-N	1	0	366.893	1.812	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000943655152	899132831	/nfs/dbraw/zinc/13/28/31/899132831.db2.gz	XYUCUZRIYFQCKV-DZVNLGKHSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC000943713025	899229708	/nfs/dbraw/zinc/22/97/08/899229708.db2.gz	NRORZKVCJQWMJN-KKFZBWNWSA-N	1	0	363.502	1.461	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2ccc(C)o2)C[C@H]1C	ZINC001107029436	899642170	/nfs/dbraw/zinc/64/21/70/899642170.db2.gz	UZVCTQIRSNBYTH-DJIMGWMZSA-N	1	0	361.486	1.895	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3ccn(C)c(=O)c3c2)CC1	ZINC000671261178	899717968	/nfs/dbraw/zinc/71/79/68/899717968.db2.gz	XJCJBLSXQYQDAK-UHFFFAOYSA-N	1	0	368.437	1.244	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)nc1	ZINC000944050816	899763898	/nfs/dbraw/zinc/76/38/98/899763898.db2.gz	LIMDMKKTNNXLJT-DJIMGWMZSA-N	1	0	354.454	1.124	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCC3CCOCC3)C[C@H]21	ZINC001084418072	914379514	/nfs/dbraw/zinc/37/95/14/914379514.db2.gz	TVBNQNYSJNMGPG-HSALFYBXSA-N	1	0	359.514	1.433	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCc3ccccc3F)C[C@H]21	ZINC001084418004	914381345	/nfs/dbraw/zinc/38/13/45/914381345.db2.gz	PVQYOTSYOHBHCQ-HLAWJBBLSA-N	1	0	369.484	1.999	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(CO)cc3)C[C@H]21	ZINC001084418184	914384303	/nfs/dbraw/zinc/38/43/03/914384303.db2.gz	ZJFFAZSSZOWZJV-QHAWAJNXSA-N	1	0	367.493	1.309	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC2CCC2)[C@H](C)C1	ZINC001107035919	899995097	/nfs/dbraw/zinc/99/50/97/899995097.db2.gz	DNQVUXCERCKUBF-GDBMZVCRSA-N	1	0	350.507	1.734	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(N(C)C)c(F)c2)C[C@H]1C	ZINC001107037552	900018428	/nfs/dbraw/zinc/01/84/28/900018428.db2.gz	RBSKMZBAPLTXQM-NVXWUHKLSA-N	1	0	361.461	1.839	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccoc2C(C)C)C[C@H]1C	ZINC001107057082	900239848	/nfs/dbraw/zinc/23/98/48/900239848.db2.gz	LNHSJFJNJDUWGV-OWCLPIDISA-N	1	0	359.470	1.839	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCCCOCC)C[C@H]1C	ZINC001107057279	900247435	/nfs/dbraw/zinc/24/74/35/900247435.db2.gz	VEXORFMANHOSBN-IAGOWNOFSA-N	1	0	353.507	1.570	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cc(C)on2)[C@H](C)C1	ZINC001107063054	900448199	/nfs/dbraw/zinc/44/81/99/900448199.db2.gz	ALDIGNGCMNOKSM-VHDGCEQUSA-N	1	0	364.446	1.197	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(CC)s2)[C@H](C)C1	ZINC001107063537	900449734	/nfs/dbraw/zinc/44/97/34/900449734.db2.gz	RPFTTYSNLMCCQD-HZSPNIEDSA-N	1	0	352.504	1.876	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+][C@@H]2CCN(C(C)C)C2=O)[C@H](C)C1	ZINC001107065078	900453900	/nfs/dbraw/zinc/45/39/00/900453900.db2.gz	FFHUPTWIBOBKHH-BRWVUGGUSA-N	1	0	351.491	1.273	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2C(=O)Nc3ccccc32)C[C@H]1C	ZINC001107071998	900501411	/nfs/dbraw/zinc/50/14/11/900501411.db2.gz	ADVVRPVSXMSUHW-JFIYKMOQSA-N	1	0	369.465	1.446	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccnc(-n3cncn3)c2)C[C@H]1C	ZINC001107080753	900598658	/nfs/dbraw/zinc/59/86/58/900598658.db2.gz	DLNKADLPGYBAQH-NVXWUHKLSA-N	1	0	354.458	1.926	20	30		FDEDRO
C[C@@H]1CN(C(=O)COC[C@@H]2CCCO2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001107090180	900804272	/nfs/dbraw/zinc/80/42/72/900804272.db2.gz	FWTXSDLLPWTRHP-NRSPTQNISA-N	1	0	370.493	1.918	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)C[C@H]1C	ZINC001107092710	900844701	/nfs/dbraw/zinc/84/47/01/900844701.db2.gz	BCMDNKVCLDLVJK-DJIMGWMZSA-N	1	0	353.507	1.424	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)CC(C)(C)C)[C@@H](n2ccnn2)C1	ZINC001129307433	901048896	/nfs/dbraw/zinc/04/88/96/901048896.db2.gz	ATQAFNXDTHZJLO-BBWFWOEESA-N	1	0	363.506	1.895	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CC/C=C/CC)C[C@@H]2n2ccnn2)nn1	ZINC001129307439	901049954	/nfs/dbraw/zinc/04/99/54/901049954.db2.gz	AUHAFUHFPBXIJW-HEDFYIJFSA-N	1	0	370.461	1.067	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(c3cccc(F)c3C#N)CCO2)CC[N@@H+]1C	ZINC001063670355	901090353	/nfs/dbraw/zinc/09/03/53/901090353.db2.gz	HRRQDWULDFXNRL-RBSFLKMASA-N	1	0	360.433	1.359	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2	ZINC000944968144	901134064	/nfs/dbraw/zinc/13/40/64/901134064.db2.gz	GJIKSECHQKPHOS-ZACQAIPSSA-N	1	0	363.502	1.369	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3CCC)CCC2)CC1	ZINC001064449797	901308313	/nfs/dbraw/zinc/30/83/13/901308313.db2.gz	YBHNYAWRXYUYLS-QZTJIDSGSA-N	1	0	359.514	1.923	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(C[C@H](C)[NH+]2CCN(c3ccccc3)CC2)C1=O	ZINC000348493835	901319229	/nfs/dbraw/zinc/31/92/29/901319229.db2.gz	CKNXLHSXMQBAGQ-WMZOPIPTSA-N	1	0	372.469	1.320	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(C2CCN(c3cc(C)nc(C)n3)CC2)C1=O	ZINC000348556749	901320050	/nfs/dbraw/zinc/32/00/50/901320050.db2.gz	RXMKCHBUGGWHMR-HNNXBMFYSA-N	1	0	359.430	1.185	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H]3CCN(C(=O)CCCC[NH+](C)C)[C@@H]3C2)n1	ZINC001090325421	901691457	/nfs/dbraw/zinc/69/14/57/901691457.db2.gz	DKDQOBXGWNPDHP-DOTOQJQBSA-N	1	0	356.474	1.426	20	30		FDEDRO
CCCCCC[N@H+](C)CC(=O)N1CC[C@H]2CN(c3cncc(C#N)n3)C[C@H]21	ZINC001090328684	901713891	/nfs/dbraw/zinc/71/38/91/901713891.db2.gz	LNIHEAQAZGNUTH-FUHWJXTLSA-N	1	0	370.501	1.897	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2CN(c3cncc(C#N)n3)C[C@H]21	ZINC001090341518	901765630	/nfs/dbraw/zinc/76/56/30/901765630.db2.gz	YOAQQZJGACBUQC-NUEKZKHPSA-N	1	0	360.437	1.065	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)[C@@H](O)C1	ZINC001083926869	901785841	/nfs/dbraw/zinc/78/58/41/901785841.db2.gz	PGSILSJORZZEAH-OJDYBEQGSA-N	1	0	352.356	1.392	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC2(C)CCN(c3ccnc(C#N)n3)CC2)CC[N@@H+]1C	ZINC001065114937	901856830	/nfs/dbraw/zinc/85/68/30/901856830.db2.gz	AHARJOWCMCLHPS-LSDHHAIUSA-N	1	0	356.474	1.554	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2ccncc2C#N)CC[N@@H+]1C	ZINC001065171512	901884077	/nfs/dbraw/zinc/88/40/77/901884077.db2.gz	WQTPEJVXIQYSOO-NRSFXHEJSA-N	1	0	353.470	1.863	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cscn2)C1	ZINC001079128232	901932542	/nfs/dbraw/zinc/93/25/42/901932542.db2.gz	QQOCKNCRFVITIB-QZTJIDSGSA-N	1	0	355.463	1.854	20	30		FDEDRO
C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cc[nH]c(=O)c2)C1	ZINC001079131338	901942121	/nfs/dbraw/zinc/94/21/21/901942121.db2.gz	OJTCSWKFCKEDQZ-QZTJIDSGSA-N	1	0	353.422	1.661	20	30		FDEDRO
N#Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H]2C[N@@H+](CC3CC3)C[C@H]2O)[nH]1	ZINC001079132557	901947194	/nfs/dbraw/zinc/94/71/94/901947194.db2.gz	TWJAOPWGKSOPAG-WOJBJXKFSA-N	1	0	364.449	1.984	20	30		FDEDRO
CC#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2[nH]cnc2CC)C1	ZINC001079146972	901970603	/nfs/dbraw/zinc/97/06/03/901970603.db2.gz	QHQSUMFAILRVJG-RTBURBONSA-N	1	0	366.465	1.683	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH2+]CC(N)=O)C2)c1	ZINC001079150321	901983204	/nfs/dbraw/zinc/98/32/04/901983204.db2.gz	MLIJRDVMEZPVHI-DOTOQJQBSA-N	1	0	369.400	1.099	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cncn2C)C1	ZINC001079137888	902013560	/nfs/dbraw/zinc/01/35/60/902013560.db2.gz	AOHDFQDQUCYEMK-RTBURBONSA-N	1	0	354.454	1.684	20	30		FDEDRO
C#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C23CCC[NH+]2CCC3)C1	ZINC001079137879	902014360	/nfs/dbraw/zinc/01/43/60/902014360.db2.gz	AHPHFXNDCAKGBR-WOJBJXKFSA-N	1	0	367.493	1.322	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2n[nH]nc2C)C1	ZINC001079140514	902028594	/nfs/dbraw/zinc/02/85/94/902028594.db2.gz	MHEJQDNZEHDWLC-QZTJIDSGSA-N	1	0	369.469	1.767	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2C=CCC2)C3)CC1	ZINC000995717098	902043400	/nfs/dbraw/zinc/04/34/00/902043400.db2.gz	CUQBYVVXJZRRBE-LMCOJAPRSA-N	1	0	369.509	1.936	20	30		FDEDRO
C=CC[NH+]1CCC(N2C(=O)N[C@@H]3CN(C(=O)[C@@H]4C[C@H]4CC)CC[C@H]32)CC1	ZINC001079165452	902095181	/nfs/dbraw/zinc/09/51/81/902095181.db2.gz	TZYRIGDNQYDOFV-VDHUWJSZSA-N	1	0	360.502	1.678	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cnn(C)c2C)C[C@H]1c1cccc(F)c1	ZINC001079186501	902131765	/nfs/dbraw/zinc/13/17/65/902131765.db2.gz	OIGAFLBBCJKLCD-RBUKOAKNSA-N	1	0	354.429	1.628	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN(C(C)=O)C2)C[C@H]1c1cccc(F)c1	ZINC001079190448	902146267	/nfs/dbraw/zinc/14/62/67/902146267.db2.gz	SQNWIEDBJUFVST-YSIASYRMSA-N	1	0	371.456	1.601	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]CC(N)=O)C2)CC1	ZINC001079197502	902162397	/nfs/dbraw/zinc/16/23/97/902162397.db2.gz	NUXXTFARFZDNCR-ZWKOTPCHSA-N	1	0	359.445	1.941	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1	ZINC001079197693	902163705	/nfs/dbraw/zinc/16/37/05/902163705.db2.gz	WHBJFIUIBCNIBO-RCCFBDPRSA-N	1	0	371.456	1.955	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3nnn(C)c3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079231342	902164093	/nfs/dbraw/zinc/16/40/93/902164093.db2.gz	GHFZQMDQARHPOP-JKSUJKDBSA-N	1	0	359.474	1.253	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)Cc3cc(C)n[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079234162	902170141	/nfs/dbraw/zinc/17/01/41/902170141.db2.gz	AUZMSUQEYXOVHL-ZWKOTPCHSA-N	1	0	358.486	1.776	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cnnc(C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079239316	902185453	/nfs/dbraw/zinc/18/54/53/902185453.db2.gz	MTYJKRYKFIUAKN-ZWKOTPCHSA-N	1	0	354.454	1.361	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)CO[C@@H]3CCOC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079241798	902193370	/nfs/dbraw/zinc/19/33/70/902193370.db2.gz	CMSKNYKBBAUJJR-FGTMMUONSA-N	1	0	364.486	1.307	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)[C@@H](C)n3cccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079225067	902232381	/nfs/dbraw/zinc/23/23/81/902232381.db2.gz	SHRQZMGQYDQVPW-FGTMMUONSA-N	1	0	358.486	1.960	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCCNC3=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079246202	902257520	/nfs/dbraw/zinc/25/75/20/902257520.db2.gz	VYFACXOKRBNHMN-IXDOHACOSA-N	1	0	361.486	1.028	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cnc4n3CCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079246267	902258500	/nfs/dbraw/zinc/25/85/00/902258500.db2.gz	YYHFTVMXBVVLRD-FUHWJXTLSA-N	1	0	368.481	1.406	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3cn[nH]c(=O)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079247018	902259827	/nfs/dbraw/zinc/25/98/27/902259827.db2.gz	GUNZXPBCIOQASP-JKSUJKDBSA-N	1	0	358.442	1.311	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)Cc3cncs3)[C@@H]3COC[C@@H]32)CC1	ZINC001079247100	902260137	/nfs/dbraw/zinc/26/01/37/902260137.db2.gz	LSPSGMNYMVGOTO-DLBZAZTESA-N	1	0	359.495	1.648	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3[nH]c(=O)[nH]c3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079247335	902261322	/nfs/dbraw/zinc/26/13/22/902261322.db2.gz	YUEXETSNIFLSJQ-LSDHHAIUSA-N	1	0	360.458	1.553	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)CCc3nccs3)[C@@H]3COC[C@@H]32)CC1	ZINC001079273657	902284979	/nfs/dbraw/zinc/28/49/79/902284979.db2.gz	KBSVYBAGWCWMQX-JKSUJKDBSA-N	1	0	359.495	1.648	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCCC(=O)N3)[C@@H]3COC[C@@H]32)CC1	ZINC001079259497	902294175	/nfs/dbraw/zinc/29/41/75/902294175.db2.gz	CXBMTXBAUWGWRE-GVDBMIGSSA-N	1	0	361.486	1.171	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3nccc4[nH]ccc43)[C@@H]3COC[C@@H]32)CC1	ZINC001079260790	902298657	/nfs/dbraw/zinc/29/86/57/902298657.db2.gz	POQWOEFUOIWRKA-FUHWJXTLSA-N	1	0	364.449	1.749	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ccncc3Cl)[C@@H]3COC[C@@H]32)CC1	ZINC001079263510	902304872	/nfs/dbraw/zinc/30/48/72/902304872.db2.gz	YXKYIZLTYCLJNN-DOTOQJQBSA-N	1	0	359.857	1.921	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC3(CC[NH+](CC4CC4)CC3)[C@H]3COC[C@H]32)nn1	ZINC001079265518	902312044	/nfs/dbraw/zinc/31/20/44/902312044.db2.gz	MVXQMENUWVWBNV-FUHWJXTLSA-N	1	0	371.485	1.427	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cnn(CC(C)C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079268048	902319993	/nfs/dbraw/zinc/31/99/93/902319993.db2.gz	JJQJSUZHXDBRFF-RBUKOAKNSA-N	1	0	370.497	1.725	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)Cc3cncn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079270155	902327418	/nfs/dbraw/zinc/32/74/18/902327418.db2.gz	DUGPRXDOIVNMRX-ZWKOTPCHSA-N	1	0	358.486	1.478	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@H]1c1ccccc1F	ZINC001079302218	902350585	/nfs/dbraw/zinc/35/05/85/902350585.db2.gz	RYQDNYARUXLARZ-FUHWJXTLSA-N	1	0	359.445	1.908	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3nnnn3c2)C[C@H]1c1ccccc1F	ZINC001079302650	902352116	/nfs/dbraw/zinc/35/21/16/902352116.db2.gz	CBTZDQTXJGBHSE-DOTOQJQBSA-N	1	0	366.400	1.647	20	30		FDEDRO
CC1(C)CN(C(=O)[C@]23C[C@H]2COC3)C[C@@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC000995834051	902361463	/nfs/dbraw/zinc/36/14/63/902361463.db2.gz	PVFZSSDJVHDBQS-MDKPJZGXSA-N	1	0	369.465	1.952	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(N)=O)C1	ZINC001079296880	902403227	/nfs/dbraw/zinc/40/32/27/902403227.db2.gz	WOYRBDFJCSOOED-DZGCQCFKSA-N	1	0	367.852	1.974	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC(=O)N(C(C)C)C2)C[C@H]1c1ccccc1F	ZINC001079296910	902403404	/nfs/dbraw/zinc/40/34/04/902403404.db2.gz	YJCNUABOGOZDQV-VDZJLULYSA-N	1	0	371.456	1.600	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn(CCOC)c2)C[C@H]1c1ccccc1F	ZINC001079319585	902420549	/nfs/dbraw/zinc/42/05/49/902420549.db2.gz	FIYDKYJJSGATSN-PKOBYXMFSA-N	1	0	370.428	1.500	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCC(=O)N2)C[C@H]1c1ccccc1F	ZINC001079309659	902444329	/nfs/dbraw/zinc/44/43/29/902444329.db2.gz	LDNPXKXOIVJDLX-CGTJXYLNSA-N	1	0	357.429	1.402	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1c1ccccc1F	ZINC001079310963	902446275	/nfs/dbraw/zinc/44/62/75/902446275.db2.gz	NSRWXCKFYYKPAM-MUQADHOPSA-N	1	0	359.445	1.620	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C[C@H]3COC(=O)C3)C2)cc1C#N	ZINC001079572370	902811994	/nfs/dbraw/zinc/81/19/94/902811994.db2.gz	PPJZSNJSLGUEON-FRFSOERESA-N	1	0	371.437	1.457	20	30		FDEDRO
C[C@@H](CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(C#N)c1)C2)n1ccnc1	ZINC000996123589	903154032	/nfs/dbraw/zinc/15/40/32/903154032.db2.gz	URQVNTCOZIJORD-IEAZIUSSSA-N	1	0	366.425	1.596	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@]12C[C@H]1COC2	ZINC001079734366	903158052	/nfs/dbraw/zinc/15/80/52/903158052.db2.gz	CXJYTGLNALCRPV-CAUGKJMWSA-N	1	0	355.438	1.562	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(S(C)(=O)=O)o1)C2	ZINC001112538673	903380722	/nfs/dbraw/zinc/38/07/22/903380722.db2.gz	QNWLPOFIQSSLSA-KSSFIOAISA-N	1	0	364.467	1.538	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1CN(C(=O)CC[N@@H+](C)CCC)C1	ZINC001079857269	903531041	/nfs/dbraw/zinc/53/10/41/903531041.db2.gz	JXCIEWAKNGEGAA-MSOLQXFVSA-N	1	0	365.518	1.759	20	30		FDEDRO
CC1(C)CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC000996303472	903647802	/nfs/dbraw/zinc/64/78/02/903647802.db2.gz	GVBKINMZUARWJB-IJEWVQPXSA-N	1	0	358.417	1.145	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCn2nc(C)nc2C)C(C)(C)C1	ZINC000996332349	903716554	/nfs/dbraw/zinc/71/65/54/903716554.db2.gz	YPAUYZCYFUAVOH-IXDOHACOSA-N	1	0	361.490	1.313	20	30		FDEDRO
C=CCCC[NH+]1CC(n2cc(CNC(=O)[C@]34CCC[C@H]3OCC4)nn2)C1	ZINC001107184850	903744472	/nfs/dbraw/zinc/74/44/72/903744472.db2.gz	VXZIPEGYPKYIJT-MJGOQNOKSA-N	1	0	359.474	1.676	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1CCN(C)C(=O)C1	ZINC001079976879	903868362	/nfs/dbraw/zinc/86/83/62/903868362.db2.gz	AGYUTRYPXQCENG-FHLIZLRMSA-N	1	0	354.454	1.363	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNC(=O)NCCNc2ccc(C#N)cn2)CCCO1	ZINC000764188599	903959380	/nfs/dbraw/zinc/95/93/80/903959380.db2.gz	UHDKBMIBQOWWQI-HNNXBMFYSA-N	1	0	360.462	1.165	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)Cn4cnnn4)CCC[C@@H]23)s1	ZINC001107280003	904279650	/nfs/dbraw/zinc/27/96/50/904279650.db2.gz	QCQVIGUFJVJXQV-NVXWUHKLSA-N	1	0	371.470	1.167	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(C)n3)CCC[C@@H]12	ZINC001107284410	904330291	/nfs/dbraw/zinc/33/02/91/904330291.db2.gz	ZTHRRNATSXWKGP-YLJYHZDGSA-N	1	0	354.454	1.114	20	30		FDEDRO
Cc1ncsc1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107296734	904339991	/nfs/dbraw/zinc/33/99/91/904339991.db2.gz	VXGPUHZEHBKQSE-CXAGYDPISA-N	1	0	361.471	1.066	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)CC2)C1=O	ZINC000996616300	904430538	/nfs/dbraw/zinc/43/05/38/904430538.db2.gz	SSTXFHFJRHGOIR-JFRXWTBNSA-N	1	0	357.498	1.956	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(C)CC)CC2	ZINC001107318019	904441325	/nfs/dbraw/zinc/44/13/25/904441325.db2.gz	GWKSDIRMJIEZAC-SQGPQFPESA-N	1	0	365.518	1.807	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N[C@@H](C)CC)CC2	ZINC001107330601	904460884	/nfs/dbraw/zinc/46/08/84/904460884.db2.gz	FOHUNOOMCCYACM-FRQCXROJSA-N	1	0	351.491	1.465	20	30		FDEDRO
Cc1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)oc1C	ZINC001107359225	904584757	/nfs/dbraw/zinc/58/47/57/904584757.db2.gz	GHCODBJEIFOABZ-VQIMIIECSA-N	1	0	358.442	1.511	20	30		FDEDRO
CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1)[NH+]1CCCCC1	ZINC000996672517	904672098	/nfs/dbraw/zinc/67/20/98/904672098.db2.gz	SVKSEGSEEIESRL-SQNIBIBYSA-N	1	0	357.498	1.912	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@@]3(CNC(=O)CC(C)(C)O)CCC[C@@H]23)C1=O	ZINC001107388535	904679058	/nfs/dbraw/zinc/67/90/58/904679058.db2.gz	PCVGGJKTIQQPPB-JXXFODFXSA-N	1	0	363.502	1.295	20	30		FDEDRO
CO[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC001081507030	904717724	/nfs/dbraw/zinc/71/77/24/904717724.db2.gz	BFLBMNXTFQIQDP-RTBURBONSA-N	1	0	363.421	1.997	20	30		FDEDRO
CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C#CC3CC3)CCC[C@@H]12	ZINC001107397940	904718231	/nfs/dbraw/zinc/71/82/31/904718231.db2.gz	DEXRZLVBURPTAB-WIYYLYMNSA-N	1	0	357.498	1.629	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC001081507069	904718460	/nfs/dbraw/zinc/71/84/60/904718460.db2.gz	CZKLSYDXJYPIKC-QZTJIDSGSA-N	1	0	360.458	1.522	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)CO[C@H]3CCOC3)CCC[C@@H]12	ZINC001107405078	904751455	/nfs/dbraw/zinc/75/14/55/904751455.db2.gz	DIYVTNICZUJWMG-YQVWRLOYSA-N	1	0	352.475	1.355	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)CCS(=O)(=O)NC)CCC[C@@H]12	ZINC001107405374	904753443	/nfs/dbraw/zinc/75/34/43/904753443.db2.gz	NVGOPLWTBYJWAQ-UKRRQHHQSA-N	1	0	363.911	1.039	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cn4c(n3)CCC4)CCC[C@@H]12	ZINC001107410880	904804424	/nfs/dbraw/zinc/80/44/24/904804424.db2.gz	YSTBLSFGFAWHBU-YLJYHZDGSA-N	1	0	356.470	1.454	20	30		FDEDRO
C=C(C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCN1C(=O)CNC1=O)CC2	ZINC001107424302	904831890	/nfs/dbraw/zinc/83/18/90/904831890.db2.gz	HHPMCYFVJXZPHU-DNVCBOLYSA-N	1	0	362.474	1.255	20	30		FDEDRO
C=C(C)[C@H](CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC)CC2)OCC	ZINC001107425617	904838466	/nfs/dbraw/zinc/83/84/66/904838466.db2.gz	GJVORXZDXBUIPN-FRQCXROJSA-N	1	0	351.491	1.465	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)c1csnn1	ZINC001080211290	904909528	/nfs/dbraw/zinc/90/95/28/904909528.db2.gz	PBIYOOMAOFARKO-IUODEOHRSA-N	1	0	357.439	1.691	20	30		FDEDRO
CO[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001081675938	904923621	/nfs/dbraw/zinc/92/36/21/904923621.db2.gz	NFSWJMDBOARGLK-NJDAHSKKSA-N	1	0	367.493	1.195	20	30		FDEDRO
CO[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001081676220	904925274	/nfs/dbraw/zinc/92/52/74/904925274.db2.gz	ZOPFDCXYFNIHSA-XUVXKRRUSA-N	1	0	368.481	1.215	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cn(C)c(C)cc3=O)CCC[C@@H]12	ZINC001107444348	904942245	/nfs/dbraw/zinc/94/22/45/904942245.db2.gz	BURBTJSWUPZDKS-TZIWHRDSSA-N	1	0	371.481	1.318	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ncc(F)cc3F)CCC[C@@H]12	ZINC001107453072	904993330	/nfs/dbraw/zinc/99/33/30/904993330.db2.gz	GNIOWGSWUSJFSO-VQIMIIECSA-N	1	0	363.408	1.984	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3cn(C)ccc3=O)CCC[C@@H]12	ZINC001107466420	905041763	/nfs/dbraw/zinc/04/17/63/905041763.db2.gz	JLGDVZZIHXKGPF-UYAOXDASSA-N	1	0	359.470	1.562	20	30		FDEDRO
COc1nn(C)cc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C	ZINC001080254199	905057006	/nfs/dbraw/zinc/05/70/06/905057006.db2.gz	LRDQAPJOIXNXMI-CXAGYDPISA-N	1	0	353.426	1.551	20	30		FDEDRO
CCCc1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC#CCOC)CC3)[nH]n1	ZINC001107492258	905226034	/nfs/dbraw/zinc/22/60/34/905226034.db2.gz	WLJMFZFHFLPOMZ-UYAOXDASSA-N	1	0	358.486	1.986	20	30		FDEDRO
CC1(C)CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107500900	905242293	/nfs/dbraw/zinc/24/22/93/905242293.db2.gz	YGWMESOMGKNREG-JXXFODFXSA-N	1	0	360.502	1.813	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)c3cncnc3)CCC[C@@H]12	ZINC001107519995	905340456	/nfs/dbraw/zinc/34/04/56/905340456.db2.gz	YLJJRYQHDUDBAX-ILZDJORESA-N	1	0	356.470	1.591	20	30		FDEDRO
C=CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCNS(C)(=O)=O)CC2	ZINC001107524210	905368235	/nfs/dbraw/zinc/36/82/35/905368235.db2.gz	NMDBNPVIMACQAG-NVXWUHKLSA-N	1	0	357.520	1.253	20	30		FDEDRO
C=CCOCCCC(=O)N1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001081986061	905476322	/nfs/dbraw/zinc/47/63/22/905476322.db2.gz	PQARJCBGIOYJTJ-FGTMMUONSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2OCCO3)C[C@H]1C	ZINC001080474447	905516579	/nfs/dbraw/zinc/51/65/79/905516579.db2.gz	XDLIJXHVTNWGHS-DDBAPUKQSA-N	1	0	372.465	1.985	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cnc3cc(C)nn3c2C)[C@H](OC)C1	ZINC001082004714	905526737	/nfs/dbraw/zinc/52/67/37/905526737.db2.gz	YFIJVHJGCYYPQW-IAGOWNOFSA-N	1	0	357.458	1.741	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)Nc3ccccc32)[C@H](OC)C1	ZINC001082004752	905527030	/nfs/dbraw/zinc/52/70/30/905527030.db2.gz	ZXGVDEBYYMDAGF-CGTJXYLNSA-N	1	0	357.454	1.894	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)c3ccco3)CCC[C@@H]12	ZINC001107547364	905531419	/nfs/dbraw/zinc/53/14/19/905531419.db2.gz	KSUBUUBSSNWTEZ-XAUMDUMWSA-N	1	0	357.454	1.493	20	30		FDEDRO
CO[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1	ZINC001082018506	905574905	/nfs/dbraw/zinc/57/49/05/905574905.db2.gz	GEKQTRPWDLVKFP-RTBURBONSA-N	1	0	370.497	1.748	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)c3cccnc3)CCC[C@@H]12	ZINC001107555620	905576390	/nfs/dbraw/zinc/57/63/90/905576390.db2.gz	ITHOJVHKKXXSJJ-YLJYHZDGSA-N	1	0	354.454	1.196	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)c3cccnc3)CCC[C@@H]12	ZINC001107555777	905577602	/nfs/dbraw/zinc/57/76/02/905577602.db2.gz	SOXXNNNQYPSOHI-YLJYHZDGSA-N	1	0	356.470	1.748	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(CC)C(=O)CC[N@H+](C)CC)C1	ZINC001080535076	905634257	/nfs/dbraw/zinc/63/42/57/905634257.db2.gz	VNLYUMNTIFFVDY-WMZOPIPTSA-N	1	0	351.491	1.369	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCC)CC2	ZINC001107570328	905693816	/nfs/dbraw/zinc/69/38/16/905693816.db2.gz	YWVRZANOCGIOKV-NLWGTHIKSA-N	1	0	365.518	1.855	20	30		FDEDRO
COc1cncc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)n1	ZINC001080563534	905696314	/nfs/dbraw/zinc/69/63/14/905696314.db2.gz	YBAJYGLPAHFNOD-CXAGYDPISA-N	1	0	351.410	1.607	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC001082066217	905702636	/nfs/dbraw/zinc/70/26/36/905702636.db2.gz	GOEBTOBHAPCNND-KCUHQSDYSA-N	1	0	370.497	1.604	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH]cc3C3CC3)CCC[C@@H]12	ZINC001107589941	905812121	/nfs/dbraw/zinc/81/21/21/905812121.db2.gz	SYWOWVNSTATZDZ-WIYYLYMNSA-N	1	0	368.481	1.616	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC34CCCC4)CCC[C@@H]12	ZINC001107597373	905858754	/nfs/dbraw/zinc/85/87/54/905858754.db2.gz	ZYTBHUAHZNBANI-CSODHUTKSA-N	1	0	357.498	1.677	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)C[NH+](CC)CC	ZINC001082103411	905878074	/nfs/dbraw/zinc/87/80/74/905878074.db2.gz	KBZXCHBVSCNKGB-KSZLIROESA-N	1	0	365.518	1.807	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CS(=O)(=O)CCCCC)CCC[C@@H]12	ZINC001107608125	905953361	/nfs/dbraw/zinc/95/33/61/905953361.db2.gz	AJLKNLPRSMSLPU-IEBWSBKVSA-N	1	0	368.543	1.976	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)COc3ccccc3)CCC[C@@H]12	ZINC001107617907	906016179	/nfs/dbraw/zinc/01/61/79/906016179.db2.gz	VNMABJVOIKNVQS-WIYYLYMNSA-N	1	0	371.481	1.728	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)c3ccsc3)CCC[C@@H]12	ZINC001107637263	906143250	/nfs/dbraw/zinc/14/32/50/906143250.db2.gz	DGJPNSSGRIXQLH-VQIMIIECSA-N	1	0	359.495	1.862	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCCn3cccc3)CCC[C@@H]12	ZINC001107642406	906210432	/nfs/dbraw/zinc/21/04/32/906210432.db2.gz	SCXCBOZQRHUBAU-WIYYLYMNSA-N	1	0	370.497	1.379	20	30		FDEDRO
C[C@@H]1CN(Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001080781319	906252003	/nfs/dbraw/zinc/25/20/03/906252003.db2.gz	WIMCWTVTLLSHEN-SIXWZSSISA-N	1	0	358.461	1.976	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@]3(CNC(=O)Cn4ccnc4)CCC[C@@H]23)C1=O	ZINC001107654744	906253688	/nfs/dbraw/zinc/25/36/88/906253688.db2.gz	HNSYXPZPNCSMAC-MBOZVWFJSA-N	1	0	371.485	1.031	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)CCC[C@@H]12	ZINC001107648698	906277628	/nfs/dbraw/zinc/27/76/28/906277628.db2.gz	PDDGUTMSSVTGPD-NQEJKGNMSA-N	1	0	370.497	1.279	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cccn(C)c1=O	ZINC001080804711	906283403	/nfs/dbraw/zinc/28/34/03/906283403.db2.gz	JTCWBWPDKDHGGJ-RDTXWAMCSA-N	1	0	350.422	1.507	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCCCN1C(=O)CC[NH+](C)C	ZINC001082277536	906591886	/nfs/dbraw/zinc/59/18/86/906591886.db2.gz	PBYNGTUKHLXWEO-LNLFQRSKSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2coc(C3CCOCC3)n2)[C@H](OC)C1	ZINC001082308934	906713696	/nfs/dbraw/zinc/71/36/96/906713696.db2.gz	MCYGPWVRFFAINS-NVXWUHKLSA-N	1	0	363.458	1.964	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCCO3)C[C@H]2OC)nc1	ZINC001082331403	906804276	/nfs/dbraw/zinc/80/42/76/906804276.db2.gz	LWCBNPAGGMUQOQ-BHIYHBOVSA-N	1	0	357.454	1.451	20	30		FDEDRO
C#CCC[NH2+][C@H]1CCN(c2cccc(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)n2)C1	ZINC001127852878	906911938	/nfs/dbraw/zinc/91/19/38/906911938.db2.gz	ZOAJAPJEBNHWDW-MANSERQUSA-N	1	0	368.481	1.457	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N[C@@H]2C[N@H+]([C@H](CC)C(N)=O)C[C@H]2C)cc1	ZINC001081011237	906942774	/nfs/dbraw/zinc/94/27/74/906942774.db2.gz	OMYMALJBPPAYDR-ZTFGCOKTSA-N	1	0	359.470	1.494	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN([C@H](C)c3csnn3)C[C@H]2C)CC1	ZINC001080997606	906971456	/nfs/dbraw/zinc/97/14/56/906971456.db2.gz	GRGYCXDWJRFRLU-IIAWOOMASA-N	1	0	361.515	1.381	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3nc(C)cs3)C[C@H]2C)CC1	ZINC001080998184	906975364	/nfs/dbraw/zinc/97/53/64/906975364.db2.gz	VTIRKHYOAMLJID-RHSMWYFYSA-N	1	0	360.527	1.733	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nnc(C(C)C)[nH]2)CC1	ZINC000997079572	907196182	/nfs/dbraw/zinc/19/61/82/907196182.db2.gz	IKBMTWQQUQLQNH-RDJZCZTQSA-N	1	0	361.490	1.990	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1c1ccccc1	ZINC001081151234	907264830	/nfs/dbraw/zinc/26/48/30/907264830.db2.gz	BRNLVMYDNTUMBA-WKWVNEEDSA-N	1	0	356.466	1.808	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C(C)C)C[C@H]1c1ccccc1	ZINC001081168071	907288955	/nfs/dbraw/zinc/28/89/55/907288955.db2.gz	GALBMZPDOFDCAJ-OTWHNJEPSA-N	1	0	353.466	1.603	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN2C(=O)CCC)[C@H](OC)C1	ZINC001082381458	907351717	/nfs/dbraw/zinc/35/17/17/907351717.db2.gz	MPVSJLCHACMXCE-IXDOHACOSA-N	1	0	351.491	1.559	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCCN2C(=O)CCC)[C@H](OC)C1	ZINC001082381617	907353478	/nfs/dbraw/zinc/35/34/78/907353478.db2.gz	SUEGNAYJHUKBKC-KZNAEPCWSA-N	1	0	365.518	1.949	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2cn(C)nc2C)C[C@H]1c1ccccc1	ZINC001081190575	907368382	/nfs/dbraw/zinc/36/83/82/907368382.db2.gz	JLMRPAJMRYXFDA-VQTJNVASSA-N	1	0	350.466	1.879	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCS(=O)(=O)C2)C[C@H]1c1ccccc1	ZINC001081190508	907368430	/nfs/dbraw/zinc/36/84/30/907368430.db2.gz	GCZCIWIDVKCNLI-OKZBNKHCSA-N	1	0	360.479	1.029	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cn2nnnc2C(C)C)C[C@H]1c1ccccc1	ZINC001081193380	907372290	/nfs/dbraw/zinc/37/22/90/907372290.db2.gz	WZCSBSSNTZTTPN-DLBZAZTESA-N	1	0	352.442	1.014	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C	ZINC001081434776	907562118	/nfs/dbraw/zinc/56/21/18/907562118.db2.gz	ANALDYZYLPTHKU-FGTMMUONSA-N	1	0	360.433	1.107	20	30		FDEDRO
C[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082418665	907581005	/nfs/dbraw/zinc/58/10/05/907581005.db2.gz	QUBAPULLUHVTHY-CXAGYDPISA-N	1	0	358.417	1.256	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082452840	907743310	/nfs/dbraw/zinc/74/33/10/907743310.db2.gz	JIVMTCJCGJGZDH-IAQYHMDHSA-N	1	0	354.389	1.320	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1[NH2+]CC(=O)N1CCCCCCC1	ZINC001082465036	907900444	/nfs/dbraw/zinc/90/04/44/907900444.db2.gz	ZTUCODTZRPWCNC-CRAIPNDOSA-N	1	0	371.485	1.729	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]C[C@H](O)c1ccccc1F	ZINC001082480412	907950261	/nfs/dbraw/zinc/95/02/61/907950261.db2.gz	LMZGKXQAWBWQJN-PJSAGSTRSA-N	1	0	356.401	1.809	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C)C(=O)N1CCCCC1	ZINC001082482045	907957935	/nfs/dbraw/zinc/95/79/35/907957935.db2.gz	FPZBIIAYTKZIJN-JKIFEVAISA-N	1	0	357.458	1.337	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082490794	907999351	/nfs/dbraw/zinc/99/93/51/907999351.db2.gz	DLLHSNDMHHKSRK-DNVCBOLYSA-N	1	0	367.453	1.502	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc[nH]2)CC1	ZINC000997357312	908324790	/nfs/dbraw/zinc/32/47/90/908324790.db2.gz	JXHLMRRFHBSPJO-NJAFHUGGSA-N	1	0	354.454	1.222	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C2=COCCO2)cc1C#N	ZINC001085124948	921403711	/nfs/dbraw/zinc/40/37/11/921403711.db2.gz	RJVNINXPXDGMIV-IAGOWNOFSA-N	1	0	371.437	1.972	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2ccccc2=O)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082543409	908424349	/nfs/dbraw/zinc/42/43/49/908424349.db2.gz	SZRPMIBBXDCEFC-VQIMIIECSA-N	1	0	364.449	1.747	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3scnc3CC)C[C@H]2C)C1=O	ZINC001082546476	908459154	/nfs/dbraw/zinc/45/91/54/908459154.db2.gz	WYIYEQMGNNOVHQ-BPLDGKMQSA-N	1	0	362.499	1.543	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccnc3ccnn32)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082554428	908543720	/nfs/dbraw/zinc/54/37/20/908543720.db2.gz	HLEHMWQBGNPNBL-RHSMWYFYSA-N	1	0	360.421	1.851	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082576115	908741774	/nfs/dbraw/zinc/74/17/74/908741774.db2.gz	PZNSWZUYOLBCEI-ISTRZQFTSA-N	1	0	358.417	1.160	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCNC(=O)C2)C[C@H]1C	ZINC001082589956	908844523	/nfs/dbraw/zinc/84/45/23/908844523.db2.gz	VRBNDDRMQOBPCJ-IXPVHAAZSA-N	1	0	358.280	1.248	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082599787	908959400	/nfs/dbraw/zinc/95/94/00/908959400.db2.gz	KPSRWDWYCVMLGZ-RDTXWAMCSA-N	1	0	350.422	1.507	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc(C)nnc3CC)C[C@H]2C)C1=O	ZINC001082602496	908975362	/nfs/dbraw/zinc/97/53/62/908975362.db2.gz	GVKHYVWEPBYFGC-JEBQAFNWSA-N	1	0	371.485	1.184	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(CCF)c2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082609913	908996855	/nfs/dbraw/zinc/99/68/55/908996855.db2.gz	PIWSLUVYVWOILX-RDTXWAMCSA-N	1	0	355.417	1.975	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC(=O)NC3)C[C@H]2C)cc1C#N	ZINC001082610816	909001867	/nfs/dbraw/zinc/00/18/67/909001867.db2.gz	CXBGAUWQYBGSEO-FRFSOERESA-N	1	0	370.453	1.030	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082615046	909054115	/nfs/dbraw/zinc/05/41/15/909054115.db2.gz	BTIWSKMRWCBWTK-FZKQIMNGSA-N	1	0	368.412	1.646	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@H+](CCOCC(C)C)C[C@H]1OC)OCC	ZINC001212354672	909069601	/nfs/dbraw/zinc/06/96/01/909069601.db2.gz	GEEJJIITNUESDW-KZNAEPCWSA-N	1	0	356.507	1.846	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)[C@H](OC)C1	ZINC001212357303	909099799	/nfs/dbraw/zinc/09/97/99/909099799.db2.gz	FOICEKMSELSMBY-BRWVUGGUSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cc(Br)n[nH]2)[C@H](OC)C1	ZINC001212357647	909100318	/nfs/dbraw/zinc/10/03/18/909100318.db2.gz	PTQUJHPNRYZVLK-VXGBXAGGSA-N	1	0	357.252	1.567	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[N@@H+](C)C1	ZINC000997547431	909124582	/nfs/dbraw/zinc/12/45/82/909124582.db2.gz	AMGZNQSZQFVOGB-NCOADZHNSA-N	1	0	356.470	1.488	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3nc(C)c(C)nc3C)C[C@H]2C)C1=O	ZINC001082633569	909199024	/nfs/dbraw/zinc/19/90/24/909199024.db2.gz	WWXBTQGMAOWLLG-OAUYIBNBSA-N	1	0	371.485	1.239	20	30		FDEDRO
COc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)nn1C	ZINC001082633787	909200467	/nfs/dbraw/zinc/20/04/67/909200467.db2.gz	LSUXYFOSMBLEDF-SJKOYZFVSA-N	1	0	371.416	1.690	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](CCC3CCCCC3)C[C@H]2O)nn1	ZINC001077812271	909221311	/nfs/dbraw/zinc/22/13/11/909221311.db2.gz	BBTJSZYKKXQBEX-SJLPKXTDSA-N	1	0	361.490	1.600	20	30		FDEDRO
C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)CC1	ZINC000997623523	909315361	/nfs/dbraw/zinc/31/53/61/909315361.db2.gz	DDZVPXAXJYVBSJ-PWIZWCRZSA-N	1	0	356.466	1.993	20	30		FDEDRO
COc1nc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3F)C2)co1	ZINC001082667615	909471304	/nfs/dbraw/zinc/47/13/04/909471304.db2.gz	LNFVWSIWAKHJPR-IAQYHMDHSA-N	1	0	358.373	1.944	20	30		FDEDRO
Cc1noc(CCC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3F)C2)n1	ZINC001082674839	909525764	/nfs/dbraw/zinc/52/57/64/909525764.db2.gz	DKOAIFJELWJDCI-SJKOYZFVSA-N	1	0	371.416	1.958	20	30		FDEDRO
C=CCC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2	ZINC001127996824	909548852	/nfs/dbraw/zinc/54/88/52/909548852.db2.gz	FMRAGCIXANZRPO-BZUAXINKSA-N	1	0	360.506	1.105	20	30		FDEDRO
Cc1n[nH]c(=O)c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)c1C	ZINC001082678018	909557123	/nfs/dbraw/zinc/55/71/23/909557123.db2.gz	SGBXHYAUURUTJM-SJKOYZFVSA-N	1	0	365.437	1.921	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082685533	909571179	/nfs/dbraw/zinc/57/11/79/909571179.db2.gz	XLNNEGJUPBWLOU-IAQYHMDHSA-N	1	0	357.389	1.387	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3cccc(C)c3)C[C@H]2O)nn1	ZINC001077814159	909587520	/nfs/dbraw/zinc/58/75/20/909587520.db2.gz	WPFYIRBCVLZYLS-KVSKMBFKSA-N	1	0	369.469	1.699	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082694544	909640317	/nfs/dbraw/zinc/64/03/17/909640317.db2.gz	UXKPVOTYABUIOH-ISTRZQFTSA-N	1	0	358.417	1.112	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082746395	909684449	/nfs/dbraw/zinc/68/44/49/909684449.db2.gz	DCPVDZBCEOCUOR-NKGKWGDASA-N	1	0	354.454	1.396	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082746536	909686190	/nfs/dbraw/zinc/68/61/90/909686190.db2.gz	MNGGDBFNMDYXIC-ZXFNITATSA-N	1	0	354.454	1.396	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@@H]3CCCS(=O)(=O)C3)C2)C1	ZINC001082729148	909857446	/nfs/dbraw/zinc/85/74/46/909857446.db2.gz	ANBXGFYVXWNMEC-OWCLPIDISA-N	1	0	354.516	1.604	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc(=O)n2C)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082731751	909878523	/nfs/dbraw/zinc/87/85/23/909878523.db2.gz	UBVMHWYEUVAVHY-IUODEOHRSA-N	1	0	356.451	1.569	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2nnn(CC)c2CC)C[C@H]1C	ZINC001082737102	909910972	/nfs/dbraw/zinc/91/09/72/909910972.db2.gz	HMBUYTZNBJALNC-ZYHUDNBSSA-N	1	0	370.295	1.819	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082738553	909920035	/nfs/dbraw/zinc/92/00/35/909920035.db2.gz	SUHJPBJPPHYRFO-SMNXXWJPSA-N	1	0	358.417	1.160	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ocnc3C(F)F)C[C@H]2C)C1=O	ZINC001082744732	909966091	/nfs/dbraw/zinc/96/60/91/909966091.db2.gz	DCINPHMKKGNZSU-IJLUTSLNSA-N	1	0	368.384	1.449	20	30		FDEDRO
COc1cc(=O)[nH]cc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001082750119	909986489	/nfs/dbraw/zinc/98/64/89/909986489.db2.gz	SZGUZJPTNJANNR-CXAGYDPISA-N	1	0	366.421	1.918	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc3c(c2)OCCO3)C1	ZINC001082752081	909999727	/nfs/dbraw/zinc/99/97/27/909999727.db2.gz	PAKMSIMGTPOXOI-DDBAPUKQSA-N	1	0	372.465	1.985	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc3c(c2)nnn3C)C1	ZINC001082752117	909999759	/nfs/dbraw/zinc/99/97/59/909999759.db2.gz	QWPCMGPCKMHUKE-VWMOJTHMSA-N	1	0	369.469	1.496	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cncn3C)C2)cc1	ZINC001082789793	910154260	/nfs/dbraw/zinc/15/42/60/910154260.db2.gz	VCFXVPQRHHVSJD-DNVCBOLYSA-N	1	0	352.438	1.682	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@H](O)C3CCCCC3)C2)nn1	ZINC001082791359	910193741	/nfs/dbraw/zinc/19/37/41/910193741.db2.gz	NLACHASJXURHGN-KYJSFNMBSA-N	1	0	361.490	1.455	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OC)cc3)C2)nn1	ZINC001082792484	910197360	/nfs/dbraw/zinc/19/73/60/910197360.db2.gz	ZPWIHJLWIVMNKD-RHSMWYFYSA-N	1	0	355.442	1.723	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3nc(CC)oc3C)C[C@H]2C)C1=O	ZINC001082799537	910219432	/nfs/dbraw/zinc/21/94/32/910219432.db2.gz	XXGWPYBPKZUPQH-VHDGCEQUSA-N	1	0	360.458	1.382	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3nc(CC)oc3C)C[C@H]2C)C1=O	ZINC001082799536	910220124	/nfs/dbraw/zinc/22/01/24/910220124.db2.gz	XXGWPYBPKZUPQH-BPLDGKMQSA-N	1	0	360.458	1.382	20	30		FDEDRO
C#Cc1cncc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C3)c1	ZINC000998074579	910295074	/nfs/dbraw/zinc/29/50/74/910295074.db2.gz	DPACWVXLKFMTIW-YDZRNGNQSA-N	1	0	366.465	1.409	20	30		FDEDRO
CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)nn1	ZINC001082828483	910346388	/nfs/dbraw/zinc/34/63/88/910346388.db2.gz	MQERKHKYEGHHIT-RHSMWYFYSA-N	1	0	352.442	1.810	20	30		FDEDRO
CCN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000998125658	910408045	/nfs/dbraw/zinc/40/80/45/910408045.db2.gz	JTCBVEBGTTXSLK-QRVBRYPASA-N	1	0	368.481	1.883	20	30		FDEDRO
CCC(=O)N1CC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)C1	ZINC001082846072	910420781	/nfs/dbraw/zinc/42/07/81/910420781.db2.gz	AOXAVPZTICMUOT-ATZDWAIDSA-N	1	0	368.481	1.753	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCn3nc(C)nc3C)C2)cn1	ZINC001082870716	910519896	/nfs/dbraw/zinc/51/98/96/910519896.db2.gz	IGKXTDIPAKRLDD-FZKQIMNGSA-N	1	0	352.442	1.022	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCn3cc(Cl)cn3)C2)cn1	ZINC001082871072	910521492	/nfs/dbraw/zinc/52/14/92/910521492.db2.gz	YATMMOLSQGGGCM-CXAGYDPISA-N	1	0	357.845	1.663	20	30		FDEDRO
CC(=O)N1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001082872804	910582585	/nfs/dbraw/zinc/58/25/85/910582585.db2.gz	BHRLQMOSXHRUPN-ZMYBRWDISA-N	1	0	354.454	1.506	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccc(OC)cc3)C[C@H]2C)C1=O	ZINC001082878346	910610490	/nfs/dbraw/zinc/61/04/90/910610490.db2.gz	QLUCELWJSKPUGU-FHLIZLRMSA-N	1	0	357.454	1.532	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082903639	910793607	/nfs/dbraw/zinc/79/36/07/910793607.db2.gz	UHEAPTVJFRNQRF-SJKOYZFVSA-N	1	0	369.400	1.041	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)Cc3c(C)noc3C)C[C@H]2C)C1=O	ZINC001082915639	910893393	/nfs/dbraw/zinc/89/33/93/910893393.db2.gz	JFWMHWKIACAQMT-OAUYIBNBSA-N	1	0	360.458	1.057	20	30		FDEDRO
Cc1csc(=O)n1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001082915856	910897981	/nfs/dbraw/zinc/89/79/81/910897981.db2.gz	YOVABJZXLWKVRR-CXAGYDPISA-N	1	0	370.478	1.727	20	30		FDEDRO
N#Cc1cc(C[NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)cs1	ZINC000921654594	910980370	/nfs/dbraw/zinc/98/03/70/910980370.db2.gz	NYCCJPQHTQUKIT-UHFFFAOYSA-N	1	0	356.455	1.238	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)C1=CC[N@H+](C)CC1	ZINC000273058790	911010246	/nfs/dbraw/zinc/01/02/46/911010246.db2.gz	YEHCHEYEBYKTQD-GJZGRUSLSA-N	1	0	369.473	1.219	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](N[C@H](C)c3ncccn3)C2)CC1	ZINC001082940988	911014945	/nfs/dbraw/zinc/01/49/45/911014945.db2.gz	HCHYEHXYBOLFFT-JFIYKMOQSA-N	1	0	355.486	1.319	20	30		FDEDRO
C=CCCOCCNC(=O)N[C@@H]1C[C@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O	ZINC000921659870	911030941	/nfs/dbraw/zinc/03/09/41/911030941.db2.gz	KASPGRNJDYTTRA-VXIBKDFQSA-N	1	0	353.507	1.748	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(C)ccc2C)C[C@H]1O	ZINC001077821920	911148000	/nfs/dbraw/zinc/14/80/00/911148000.db2.gz	NYZZWEZHTKGYPT-NMLBUPMWSA-N	1	0	358.482	1.946	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)/C=C(\C)C4CC4)[C@H]3C2)C1=O	ZINC001083014520	911526002	/nfs/dbraw/zinc/52/60/02/911526002.db2.gz	IXQYXAIKLOPDMQ-LQVRQWDUSA-N	1	0	359.470	1.041	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CCO[C@@H]3C[N@H+](CCc4ccccc4)C[C@@H]32)c1	ZINC001083039392	911755567	/nfs/dbraw/zinc/75/55/67/911755567.db2.gz	FDGVMIOJIYQVMS-RBUKOAKNSA-N	1	0	350.422	1.654	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC000998927140	911862282	/nfs/dbraw/zinc/86/22/82/911862282.db2.gz	BYWCJQDKXCKELD-JUSSBARDSA-N	1	0	361.417	1.580	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc4c3OCCO4)[C@H]2C1	ZINC001083099516	912006077	/nfs/dbraw/zinc/00/60/77/912006077.db2.gz	NIKPMCFGYDALOB-FUHWJXTLSA-N	1	0	358.438	1.949	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@H+]2CC[C@H](C)C2)cc1	ZINC000999071450	912025676	/nfs/dbraw/zinc/02/56/76/912025676.db2.gz	BMQLFGOFCABIHS-LDTOTXGLSA-N	1	0	365.477	1.871	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](C2CC2)[NH+](C)C)cc1	ZINC000999072112	912026674	/nfs/dbraw/zinc/02/66/74/912026674.db2.gz	IAAYPYHQPGUSLW-FUMNGEBKSA-N	1	0	365.477	1.870	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)Cc3c(CC)nn(C)c3CC)[C@H]2C1	ZINC001083108333	912063247	/nfs/dbraw/zinc/06/32/47/912063247.db2.gz	MRCBITKBQWYRRG-RBUKOAKNSA-N	1	0	360.502	1.575	20	30		FDEDRO
CN(C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C1CC([NH2+]Cc2ccccc2C#N)C1	ZINC000999161250	912139677	/nfs/dbraw/zinc/13/96/77/912139677.db2.gz	PDOMEBMKZYYHBY-AABGDIPYSA-N	1	0	369.465	1.689	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3nc4ccccc4[nH]3)[C@H]2C1	ZINC001083134849	912170010	/nfs/dbraw/zinc/17/00/10/912170010.db2.gz	WTOYJFXOXXBDTB-ZWKOTPCHSA-N	1	0	354.454	1.983	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3C#N)C2)C1	ZINC000999185871	912201380	/nfs/dbraw/zinc/20/13/80/912201380.db2.gz	MHCIZEMQCRVYEM-FHLIZLRMSA-N	1	0	354.454	1.554	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3ncc4cc(C)cnc43)[C@H]2C1	ZINC001083144790	912201737	/nfs/dbraw/zinc/20/17/37/912201737.db2.gz	ABBSGPLGRRDGQL-DLBZAZTESA-N	1	0	355.442	1.227	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(=O)n(CCOC)n3)[C@@H]2C1	ZINC001084500791	915030887	/nfs/dbraw/zinc/03/08/87/915030887.db2.gz	DTXZOBTUYAXHTI-NVXWUHKLSA-N	1	0	360.458	1.002	20	30		FDEDRO
Cn1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)[nH]c1=O	ZINC001084633064	915762922	/nfs/dbraw/zinc/76/29/22/915762922.db2.gz	WWSIXLPAULQBFZ-NVXWUHKLSA-N	1	0	351.410	1.344	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](CCCN3C(=O)CNC3=O)C[C@H]21	ZINC001084634779	915777783	/nfs/dbraw/zinc/77/77/83/915777783.db2.gz	DNSJJDBHQJNKBF-CLCXKQKWSA-N	1	0	362.474	1.063	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)CC1	ZINC000729977558	915900709	/nfs/dbraw/zinc/90/07/09/915900709.db2.gz	VNHYIQFVJOBWNE-UHFFFAOYSA-N	1	0	363.845	1.832	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)CC1	ZINC000730110568	916158474	/nfs/dbraw/zinc/15/84/74/916158474.db2.gz	ZVKCACACEULCQH-UHFFFAOYSA-N	1	0	371.441	1.510	20	30		FDEDRO
Cc1nonc1CC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001084749604	916802679	/nfs/dbraw/zinc/80/26/79/916802679.db2.gz	ZMIDHRYAWFWHRP-SJLPKXTDSA-N	1	0	351.410	1.525	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@H]2CC[N@H+](CC[C@H]3CCOC3)C[C@H]21	ZINC001084783322	917118766	/nfs/dbraw/zinc/11/87/66/917118766.db2.gz	LPCXXDDELPSLHS-YQVWRLOYSA-N	1	0	369.465	1.667	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@H]2CC[N@@H+](CCc3ccnn3C)C[C@H]21	ZINC001084798296	917185160	/nfs/dbraw/zinc/18/51/60/917185160.db2.gz	JFAYAHURZKETMH-TZIWHRDSSA-N	1	0	362.477	1.719	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNC(=O)C#CC(C)(C)C)C2)CC[N@@H+]1C	ZINC001065210896	917488599	/nfs/dbraw/zinc/48/85/99/917488599.db2.gz	HSNCEEUCJDPMFF-IXDOHACOSA-N	1	0	363.502	1.110	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4ncc(C)o4)C[C@H]32)CC1	ZINC001084850973	917656983	/nfs/dbraw/zinc/65/69/83/917656983.db2.gz	HAPMRMORMNIKTM-QZTJIDSGSA-N	1	0	356.470	1.361	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cnn(C)c4C)C[C@@H]32)C1=O	ZINC001084890537	918029023	/nfs/dbraw/zinc/02/90/23/918029023.db2.gz	XGNQTFDWTPACHK-SZMVWBNQSA-N	1	0	371.485	1.052	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H]2CC[N@H+](Cc3ccc(C(=O)N(C)C)cc3)[C@H]2C1	ZINC001084904625	918185143	/nfs/dbraw/zinc/18/51/43/918185143.db2.gz	QVFWGDUDGRCHPK-WDYCEAGBSA-N	1	0	368.481	1.971	20	30		FDEDRO
CN1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4cccc(C#N)c4)[C@H]3C2)C1	ZINC001084910956	918244593	/nfs/dbraw/zinc/24/45/93/918244593.db2.gz	JPIIVBVAWZFXGP-HSALFYBXSA-N	1	0	368.481	1.312	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N4CCCCC4)[C@H]3C2)c[nH]1	ZINC001084924182	918341335	/nfs/dbraw/zinc/34/13/35/918341335.db2.gz	MNIODYCOPGVSMC-QAPCUYQASA-N	1	0	369.469	1.435	20	30		FDEDRO
CCn1cc(CC[N@@H+]2CC[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]32)cn1	ZINC001084925592	918358766	/nfs/dbraw/zinc/35/87/66/918358766.db2.gz	JDIGDXBYAWEMAQ-APWZRJJASA-N	1	0	366.469	1.882	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3CC[N@@H+](CCO[C@@H]4CC4(F)F)[C@H]3C2)c[nH]1	ZINC001084925598	918358815	/nfs/dbraw/zinc/35/88/15/918358815.db2.gz	JMCMXSORMYGBJT-UHOFOFEASA-N	1	0	364.396	1.847	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3CC[N@H+](CCCN4CCCC4=O)[C@H]3C2)c[nH]1	ZINC001084925741	918361244	/nfs/dbraw/zinc/36/12/44/918361244.db2.gz	XGGMQJLXHGCZSG-QAPCUYQASA-N	1	0	369.469	1.435	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4c(C)ccn4C)C[C@@H]32)C1=O	ZINC001084928338	918423312	/nfs/dbraw/zinc/42/33/12/918423312.db2.gz	FDNIXHVSYZIZKF-KSZLIROESA-N	1	0	370.497	1.657	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4nccn4CC)C[C@@H]32)C1=O	ZINC001084930217	918451845	/nfs/dbraw/zinc/45/18/45/918451845.db2.gz	XFTBQMZBTOIJDQ-BBWFWOEESA-N	1	0	371.485	1.226	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cn([C@@H](C)COC)nc3C)C[C@@H]21	ZINC001084940322	918562513	/nfs/dbraw/zinc/56/25/13/918562513.db2.gz	VFQQNSKZNYXIKF-WDYCEAGBSA-N	1	0	358.486	1.959	20	30		FDEDRO
NC(=O)c1cccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)c1	ZINC001084937764	918578652	/nfs/dbraw/zinc/57/86/52/918578652.db2.gz	AHVKZKKSNVXRGI-MJGOQNOKSA-N	1	0	351.450	1.622	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC3CC3)[C@H]2C1	ZINC001084943141	918609288	/nfs/dbraw/zinc/60/92/88/918609288.db2.gz	JOWHJBXFSQGRTH-BGTYHANMSA-N	1	0	361.486	1.169	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn(-c4cccnc4)nn3)C[C@@H]21	ZINC001084954259	918764762	/nfs/dbraw/zinc/76/47/62/918764762.db2.gz	YAJYSQRUHMPBOP-QAPCUYQASA-N	1	0	352.442	1.775	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(-c4ccn(C)c4)n[nH]3)C[C@@H]21	ZINC001084955795	918789677	/nfs/dbraw/zinc/78/96/77/918789677.db2.gz	YJXRCDPWSKMYHC-BEFAXECRSA-N	1	0	351.454	1.975	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)C[C@H]4CCNC4=O)C[C@@H]32)cc1	ZINC001084956369	918797550	/nfs/dbraw/zinc/79/75/50/918797550.db2.gz	JFEFJQVQFMQYMF-QRVBRYPASA-N	1	0	366.465	1.507	20	30		FDEDRO
CC(=NNC(=S)NCCC[NH+](C)C)c1cccc(N2CCOCC2)c1	ZINC000731928333	918845126	/nfs/dbraw/zinc/84/51/26/918845126.db2.gz	IKEIQVPUVDWEJL-UHFFFAOYSA-N	1	0	363.531	1.663	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cn4c(n3)C[C@@H](OC)CC4)C[C@@H]21	ZINC001084969577	918958064	/nfs/dbraw/zinc/95/80/64/918958064.db2.gz	ODJAFEZSOJMWJT-RYRKJORJSA-N	1	0	358.486	1.957	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3COCCN3CC(F)F)C[C@@H]21	ZINC001084998606	919389950	/nfs/dbraw/zinc/38/99/50/919389950.db2.gz	WCZQLGIGZMPTNE-PMPSAXMXSA-N	1	0	357.445	1.451	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4nnn(C)c4C3)C[C@@H]21	ZINC001085017699	919697157	/nfs/dbraw/zinc/69/71/57/919697157.db2.gz	SKVDMBVHWVWVHK-GJYPPUQNSA-N	1	0	357.502	1.809	20	30		FDEDRO
CON=Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1	ZINC000732559824	919794739	/nfs/dbraw/zinc/79/47/39/919794739.db2.gz	RRUNNFUKTKQTGB-LJQANCHMSA-N	1	0	358.486	1.907	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cn(C)nc4C)[C@H]3C2)c1	ZINC001085027743	919811231	/nfs/dbraw/zinc/81/12/31/919811231.db2.gz	KQHPMQAHCMYBEK-XLIONFOSSA-N	1	0	363.465	1.841	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ccn(C)c4C)C[C@@H]32)C1=O	ZINC001085026059	919824105	/nfs/dbraw/zinc/82/41/05/919824105.db2.gz	WHVDNCSTIWSEFF-WDSOQIARSA-N	1	0	370.497	1.657	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4[nH]c(C)nc4C)C[C@@H]32)C1=O	ZINC001085036182	919941125	/nfs/dbraw/zinc/94/11/25/919941125.db2.gz	RTXPAHFPBXACKQ-BBWFWOEESA-N	1	0	371.485	1.350	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cncc(N4CCCC4)n3)C[C@@H]21	ZINC001085049890	920139973	/nfs/dbraw/zinc/13/99/73/920139973.db2.gz	HTAIXKPMDNECHA-AEFFLSMTSA-N	1	0	353.470	1.637	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4ccnc4)nn3)C[C@@H]21	ZINC001085056049	920194553	/nfs/dbraw/zinc/19/45/53/920194553.db2.gz	XCAMVTFLMSKNHI-WBVHZDCISA-N	1	0	350.426	1.222	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cnn(-c4nccs4)c3)C[C@@H]21	ZINC001085072386	920488072	/nfs/dbraw/zinc/48/80/72/920488072.db2.gz	XITYBGPTAUECOH-ZBFHGGJFSA-N	1	0	355.467	1.889	20	30		FDEDRO
Cn1cncc1CC(=O)N1CC[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@H]2C1	ZINC001085075635	920507458	/nfs/dbraw/zinc/50/74/58/920507458.db2.gz	ZAMURBLLGAIKRN-QUCCMNQESA-N	1	0	363.465	1.957	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](CCN4CCCC4=O)[C@H]3C2)cn1	ZINC001085078241	920540917	/nfs/dbraw/zinc/54/09/17/920540917.db2.gz	JUVCXKJDFNZRSS-APWZRJJASA-N	1	0	366.465	1.222	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(Cc4coc(C)n4)[C@H]3C2)CC1	ZINC001085100589	920913822	/nfs/dbraw/zinc/91/38/22/920913822.db2.gz	OZXYUEFAZQLOMH-XLIONFOSSA-N	1	0	370.497	1.751	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)CN(CN3CC[NH+](C4CCC4)CC3)C2=O)cc1	ZINC000733298989	920966674	/nfs/dbraw/zinc/96/66/74/920966674.db2.gz	XVTHJRWTNCSSHH-UHFFFAOYSA-N	1	0	367.453	1.450	20	30		FDEDRO
COc1cc2c(cc1C[NH2+]CCNC(=O)C1N=CC=CC1=O)O[C@H](C)C2	ZINC000733334890	920989488	/nfs/dbraw/zinc/98/94/88/920989488.db2.gz	TVLLMWOGVRGJIU-ROHOOWMXSA-N	1	0	357.410	1.635	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CN(C)CCO1	ZINC001085159352	921880263	/nfs/dbraw/zinc/88/02/63/921880263.db2.gz	QKZKYPGGNZHZHW-MGPQQGTHSA-N	1	0	360.296	1.243	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCNC(=O)CC2)c1	ZINC001085162284	921904934	/nfs/dbraw/zinc/90/49/34/921904934.db2.gz	JLYVYHASIHUVTA-NUEKZKHPSA-N	1	0	357.458	1.433	20	30		FDEDRO
CN1CCOC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001085175383	921999188	/nfs/dbraw/zinc/99/91/88/921999188.db2.gz	OBDKJGJCDATTHH-QRVBRYPASA-N	1	0	356.470	1.406	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN2CN=NC2=O)c1	ZINC001085175860	922002056	/nfs/dbraw/zinc/00/20/56/922002056.db2.gz	FXPPEIHTOCMGNP-HZPDHXFCSA-N	1	0	354.414	1.073	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc3n(n2)CCC3)c[nH]1	ZINC001085176487	922006328	/nfs/dbraw/zinc/00/63/28/922006328.db2.gz	IYVPLWDHAQRWAJ-QZTJIDSGSA-N	1	0	352.442	1.860	20	30		FDEDRO
Cn1cnc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(F)ccc2C#N)n1	ZINC001085190456	922118863	/nfs/dbraw/zinc/11/88/63/922118863.db2.gz	AWADOHZVCYVBAE-HZPDHXFCSA-N	1	0	356.405	1.657	20	30		FDEDRO
C=C(C)CCC(=O)N1CCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001065225841	922207993	/nfs/dbraw/zinc/20/79/93/922207993.db2.gz	ARKVYFAOAVSGBK-IXDOHACOSA-N	1	0	351.491	1.417	20	30		FDEDRO
N#Cc1cccnc1NCCNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000733890523	922270975	/nfs/dbraw/zinc/27/09/75/922270975.db2.gz	KPWUXDHSUDOHPX-FQEVSTJZSA-N	1	0	365.437	1.118	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@](C)(CNc3ccc(C#N)nn3)C2)CC[N@@H+]1C	ZINC001065503726	922334700	/nfs/dbraw/zinc/33/47/00/922334700.db2.gz	HKNQMKABVDFROM-FCEWJHQRSA-N	1	0	356.474	1.729	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@](C)(CNC(=O)OC(C)(C)C)C(C)C	ZINC000733896668	922427804	/nfs/dbraw/zinc/42/78/04/922427804.db2.gz	OUNDQYFXOLCDJD-KRWDZBQOSA-N	1	0	356.467	1.527	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@]1(CO)CCCN(Cc2ccccc2)C1	ZINC000733898683	922469138	/nfs/dbraw/zinc/46/91/38/922469138.db2.gz	RWNQPFKLYNCMHR-NHCUHLMSSA-N	1	0	372.513	1.658	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)CC1	ZINC001066217143	922609009	/nfs/dbraw/zinc/60/90/09/922609009.db2.gz	JDDKUNFEQGNKRA-KSZLIROESA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)CC1	ZINC001066216740	922609254	/nfs/dbraw/zinc/60/92/54/922609254.db2.gz	DXBZXJOMTUUFIZ-LNLFQRSKSA-N	1	0	365.518	1.805	20	30		FDEDRO
C=CCOCCCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001066218445	922616250	/nfs/dbraw/zinc/61/62/50/922616250.db2.gz	GFWCGGKQSVOUFC-KZNAEPCWSA-N	1	0	365.518	1.807	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2ccc(C#N)nn2)CC[N@@H+]1C	ZINC001066201628	922619422	/nfs/dbraw/zinc/61/94/22/922619422.db2.gz	FFYGEWNHLQBKGP-DZUCGIPZSA-N	1	0	354.458	1.258	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCNC1=O	ZINC001085233373	923008611	/nfs/dbraw/zinc/00/86/11/923008611.db2.gz	UMEDISNKWMARPO-RCCFBDPRSA-N	1	0	354.454	1.601	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2onc(C)c2C)C1=O	ZINC001085237737	923036236	/nfs/dbraw/zinc/03/62/36/923036236.db2.gz	OXFOZYMFCBWCEC-BZUAXINKSA-N	1	0	360.458	1.709	20	30		FDEDRO
CC(=O)N(c1nc(C=NNC(=S)NCCC[NH+](C)C)cs1)C1CC1	ZINC000734298661	923203500	/nfs/dbraw/zinc/20/35/00/923203500.db2.gz	BNQIBXZGVUBAAM-UHFFFAOYSA-N	1	0	368.532	1.408	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccn2)CCC1=NNC(=S)NC[C@H]1CCCO1	ZINC000734363101	923259522	/nfs/dbraw/zinc/25/95/22/923259522.db2.gz	GAZGNHKFKIYWOV-GDBMZVCRSA-N	1	0	361.515	1.923	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccn2)CCC1=NNC(=S)NC[C@@H]1CCCO1	ZINC000734363107	923259925	/nfs/dbraw/zinc/25/99/25/923259925.db2.gz	GAZGNHKFKIYWOV-ZBFHGGJFSA-N	1	0	361.515	1.923	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCNC(=O)CC2)cc1	ZINC001085286279	923529268	/nfs/dbraw/zinc/52/92/68/923529268.db2.gz	ZKZYCURTHPGESC-IPMKNSEASA-N	1	0	368.481	1.992	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C1CCCCC1	ZINC000734686713	923587624	/nfs/dbraw/zinc/58/76/24/923587624.db2.gz	SPJUQBYCHVEDOL-GOSISDBHSA-N	1	0	362.518	1.370	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccn(C)c2C)C1=O	ZINC001085323709	923859890	/nfs/dbraw/zinc/85/98/90/923859890.db2.gz	VUSKBTWPJPWTPG-KURKYZTESA-N	1	0	358.486	1.751	20	30		FDEDRO
C[C@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)[C@H]1C[N@H+](C)CCN1C	ZINC000826791950	924308677	/nfs/dbraw/zinc/30/86/77/924308677.db2.gz	YKARQUSZAPBWOI-SUMWQHHRSA-N	1	0	353.426	1.577	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCC1	ZINC001085406481	924492114	/nfs/dbraw/zinc/49/21/14/924492114.db2.gz	HNSNNWCLEHUIQE-RTBURBONSA-N	1	0	353.466	1.460	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2ccc(C)nc2)C1=O	ZINC001085423707	924592651	/nfs/dbraw/zinc/59/26/51/924592651.db2.gz	CNYAWURHLRZNPC-GUDVDZBRSA-N	1	0	370.497	1.736	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2nnc(C)n2C1	ZINC001085431000	924663429	/nfs/dbraw/zinc/66/34/29/924663429.db2.gz	LGWWXICHKDLLOR-RRFJBIMHSA-N	1	0	351.882	1.918	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NCc2csnn2)CC1	ZINC001085432715	924679914	/nfs/dbraw/zinc/67/99/14/924679914.db2.gz	MGYUXQREIYWQBV-IAGOWNOFSA-N	1	0	361.515	1.400	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2ccccc2C(=O)OC)CC1	ZINC000735937688	924684019	/nfs/dbraw/zinc/68/40/19/924684019.db2.gz	MULJFJZWTKZCNW-UHFFFAOYSA-N	1	0	358.394	1.300	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2cc(OC)cc(OC)c2)CC1	ZINC000735940403	924686836	/nfs/dbraw/zinc/68/68/36/924686836.db2.gz	PRJLVVAZPTYPCI-UHFFFAOYSA-N	1	0	360.410	1.531	20	30		FDEDRO
Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)n(C)c1=O	ZINC001085434301	924697747	/nfs/dbraw/zinc/69/77/47/924697747.db2.gz	DJGHYNOWTXEVIX-IAGOWNOFSA-N	1	0	367.453	1.426	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	ZINC001085671951	925040914	/nfs/dbraw/zinc/04/09/14/925040914.db2.gz	LMRNBASQZJLROQ-MJBXVCDLSA-N	1	0	350.381	1.832	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1	ZINC000740736046	925419893	/nfs/dbraw/zinc/41/98/93/925419893.db2.gz	BDJRUPFUBPFHPF-CALCHBBNSA-N	1	0	359.470	1.156	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cc(C(=O)OCC)cc([N+](=O)[O-])c2)CC1	ZINC000740736016	925420148	/nfs/dbraw/zinc/42/01/48/925420148.db2.gz	AJEOBPFZVLWBEL-UHFFFAOYSA-N	1	0	373.409	1.989	20	30		FDEDRO
CNS(=O)(=O)c1cccc(NC(=O)C[NH2+]CC(C)(C)CCC#N)c1	ZINC000742370330	926041543	/nfs/dbraw/zinc/04/15/43/926041543.db2.gz	LMFCBBLLZAIXEU-UHFFFAOYSA-N	1	0	352.460	1.453	20	30		FDEDRO
C#Cc1ccc(C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)cn1	ZINC000742897133	926210332	/nfs/dbraw/zinc/21/03/32/926210332.db2.gz	GAXUEORKECYINJ-UHFFFAOYSA-N	1	0	364.449	1.941	20	30		FDEDRO
CC[N@H+](C)C[C@H]1CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1	ZINC000743399767	926347410	/nfs/dbraw/zinc/34/74/10/926347410.db2.gz	XORAZHHPQNXLSM-OXQOHEQNSA-N	1	0	369.469	1.556	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O	ZINC000743472230	926369822	/nfs/dbraw/zinc/36/98/22/926369822.db2.gz	BOPZDYQTNKYIKS-OAHLLOKOSA-N	1	0	365.380	1.513	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CSCN2C(=O)CCCC)CC1	ZINC000743492037	926378400	/nfs/dbraw/zinc/37/84/00/926378400.db2.gz	NRCHUSASSYUDCV-INIZCTEOSA-N	1	0	351.516	1.682	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1	ZINC000743883038	926486236	/nfs/dbraw/zinc/48/62/36/926486236.db2.gz	GJPDSKDXPXNNOF-CYBMUJFWSA-N	1	0	359.401	1.377	20	30		FDEDRO
COCCNC(=O)C1CC[NH+](Cn2ccc(-c3ccc(C#N)cc3)n2)CC1	ZINC000744130338	926574217	/nfs/dbraw/zinc/57/42/17/926574217.db2.gz	JAVNIDHSLZRCRL-UHFFFAOYSA-N	1	0	367.453	1.854	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1	ZINC001086369018	926861616	/nfs/dbraw/zinc/86/16/16/926861616.db2.gz	LGZFTNPRTNEUOP-BNEJOLLZSA-N	1	0	354.454	1.457	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ncnn2CCC)C1	ZINC001086369082	926862844	/nfs/dbraw/zinc/86/28/44/926862844.db2.gz	ONYNTCMONDRCGO-VQHPVUNQSA-N	1	0	361.490	1.654	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)C1	ZINC001086369709	926866509	/nfs/dbraw/zinc/86/65/09/926866509.db2.gz	XACCZPXLQSJNOQ-ZKXLYKBJSA-N	1	0	363.502	1.461	20	30		FDEDRO
C[NH+](C)CCOc1cccc(NC(=O)CCNC(=O)C2N=CC=CC2=O)c1	ZINC000746188905	927673062	/nfs/dbraw/zinc/67/30/62/927673062.db2.gz	KFOFKFNGRUYSHS-VHEBQXMUSA-N	1	0	372.425	1.482	20	30		FDEDRO
C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cnn(CC#N)c2)C1	ZINC000746377812	927926506	/nfs/dbraw/zinc/92/65/06/927926506.db2.gz	PDBFJXUUQALOLQ-GOEBONIOSA-N	1	0	366.425	1.297	20	30		FDEDRO
CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)c1ccco1	ZINC000746381128	927929346	/nfs/dbraw/zinc/92/93/46/927929346.db2.gz	IYEYHTFZVDTQAZ-AWEZNQCLSA-N	1	0	358.402	1.137	20	30		FDEDRO
N#CCn1cc(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1	ZINC000746395347	927942435	/nfs/dbraw/zinc/94/24/35/927942435.db2.gz	MGEFQADCARVMCF-INIZCTEOSA-N	1	0	372.473	1.460	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)Cn3cnc(C#N)c3C#N)cc2)CC1	ZINC000766375180	927986810	/nfs/dbraw/zinc/98/68/10/927986810.db2.gz	HWFGKNOCCWTONV-UHFFFAOYSA-N	1	0	363.425	1.407	20	30		FDEDRO
C#C[C@@](C)(CC)[NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC001169177625	928340378	/nfs/dbraw/zinc/34/03/78/928340378.db2.gz	SLNLQKYONDVVKB-LIRRHRJNSA-N	1	0	359.474	1.384	20	30		FDEDRO
C#C[C@@H]1CCC[N@@H+]([C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1	ZINC001169206346	928342999	/nfs/dbraw/zinc/34/29/99/928342999.db2.gz	IFFNDOUBLZVWEH-HZPDHXFCSA-N	1	0	371.485	1.338	20	30		FDEDRO
C=CCOC(=O)N1CCC(C[NH2+][C@@H]2CC[C@H](C(=O)OCC)OC2)CC1	ZINC001169373027	928484935	/nfs/dbraw/zinc/48/49/35/928484935.db2.gz	NMKFFTMOZQBWND-HZPDHXFCSA-N	1	0	354.447	1.721	20	30		FDEDRO
COc1ccc(C(=NO)Nc2nc(N3CCC(C[NH3+])CC3)ncc2C)nc1	ZINC001169600281	928773483	/nfs/dbraw/zinc/77/34/83/928773483.db2.gz	RVPSJPACNAUFCI-UHFFFAOYSA-N	1	0	371.445	1.612	20	30		FDEDRO
COc1ccc(C(=Nc2ccc([C@@H]3CC4(C[NH2+]C4)C(=O)N3)cc2)NO)nc1	ZINC001169601132	928775442	/nfs/dbraw/zinc/77/54/42/928775442.db2.gz	DOINKMXXCJFNCL-INIZCTEOSA-N	1	0	367.409	1.298	20	30		FDEDRO
C[C@@H](CNc1ccc(C#N)cn1)NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1	ZINC001108725328	929141420	/nfs/dbraw/zinc/14/14/20/929141420.db2.gz	UWUKCBGUPYPHJO-YJLNNSPDSA-N	1	0	371.485	1.617	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CCOc2ccc(/C=C\C(=O)OC)cc2)CC1	ZINC000767313538	929224924	/nfs/dbraw/zinc/22/49/24/929224924.db2.gz	QYLAYYFVUBXIAY-TWGQIWQCSA-N	1	0	370.449	1.713	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnoc1-c1cnn(C)c1)C2	ZINC001109549202	929734019	/nfs/dbraw/zinc/73/40/19/929734019.db2.gz	PRHACPSNEWPIAN-PVAVHDDUSA-N	1	0	371.441	1.613	20	30		FDEDRO
C[C@@H](CC(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OCC#N)cc1	ZINC001109597314	929908567	/nfs/dbraw/zinc/90/85/67/929908567.db2.gz	HSSGRWYXOIWYJH-DHXZDTOLSA-N	1	0	370.453	1.322	20	30		FDEDRO
C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)c2cccc(F)c2C#N)CC1	ZINC000770299199	929960879	/nfs/dbraw/zinc/96/08/79/929960879.db2.gz	JSUCCBLCZPXBKE-UHFFFAOYSA-N	1	0	368.478	1.392	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)N(C)CC(F)(F)F)C2	ZINC001109639702	929972871	/nfs/dbraw/zinc/97/28/71/929972871.db2.gz	ZMDIPBNAJIUNHZ-XGUBFFRZSA-N	1	0	363.424	1.793	20	30		FDEDRO
C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](O)COCCOC)CC1	ZINC001109681784	930122094	/nfs/dbraw/zinc/12/20/94/930122094.db2.gz	HVKFZALVSPCPFJ-OWSLCNJRSA-N	1	0	366.502	1.478	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(N3CCCC3)ncn1)C2	ZINC001109717347	930199213	/nfs/dbraw/zinc/19/92/13/930199213.db2.gz	MCRIIYPSJIGUMV-RYRKJORJSA-N	1	0	371.485	1.615	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2	ZINC001109719185	930237480	/nfs/dbraw/zinc/23/74/80/930237480.db2.gz	XNQMFXYHUCMYNN-RDGPPVDQSA-N	1	0	374.529	1.250	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)CCN1C(=O)NC2(CCCC2)C1=O	ZINC000770801247	930265204	/nfs/dbraw/zinc/26/52/04/930265204.db2.gz	FVRVUMCPCBMVDT-OAHLLOKOSA-N	1	0	363.458	1.518	20	30		FDEDRO
COCC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1OCC[C@H]1C)C[C@@H](C)O2	ZINC001111551225	930320343	/nfs/dbraw/zinc/32/03/43/930320343.db2.gz	VFCOXVRDXWOPDK-KURKYZTESA-N	1	0	364.486	1.143	20	30		FDEDRO
CN(CC[N@H+](C)C1CC1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N	ZINC000771351011	930609960	/nfs/dbraw/zinc/60/99/60/930609960.db2.gz	FCJCWPLUPRGKNR-ZFWWWQNUSA-N	1	0	365.478	1.481	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(Cn3cccn3)on1)C2	ZINC001109941155	930831052	/nfs/dbraw/zinc/83/10/52/930831052.db2.gz	MTLWBCRURPGNBS-HFTRVMKXSA-N	1	0	371.441	1.457	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2	ZINC001109976164	930933276	/nfs/dbraw/zinc/93/32/76/930933276.db2.gz	UNOMVFWOWPPQEE-RDGPPVDQSA-N	1	0	374.529	1.250	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC([C@@H](O)c3nccn3C)CC2)CC1	ZINC000771987154	930996262	/nfs/dbraw/zinc/99/62/62/930996262.db2.gz	RFELQEQSWVSPPM-QGZVFWFLSA-N	1	0	361.490	1.526	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCc2nnc(-c3ccc(C#N)cc3)o2)CC1	ZINC000772114594	931082185	/nfs/dbraw/zinc/08/21/85/931082185.db2.gz	QWEXBHPSPBBOHM-UHFFFAOYSA-N	1	0	350.378	1.997	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)NCc2cccc(COC)c2)CC1	ZINC000772124595	931088004	/nfs/dbraw/zinc/08/80/04/931088004.db2.gz	ZVHYLQGMKQPRSA-UHFFFAOYSA-N	1	0	358.438	1.338	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1csc(-c3nc[nH]n3)n1)C2	ZINC001112544536	931420338	/nfs/dbraw/zinc/42/03/38/931420338.db2.gz	JNFUCKMYXBEZCC-SJCJKPOMSA-N	1	0	358.471	1.946	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(S(C)(=O)=O)CCCC1)C2	ZINC001112544978	931425308	/nfs/dbraw/zinc/42/53/08/931425308.db2.gz	HVNLZNMPDBSPKW-WMZOPIPTSA-N	1	0	366.527	1.585	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)OCc2cccc(C#N)c2)CC1=O	ZINC000785652631	931526809	/nfs/dbraw/zinc/52/68/09/931526809.db2.gz	JRUZDEUFXRZYAS-ROUUACIJSA-N	1	0	355.438	1.934	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc(-n3cncn3)n1)C2	ZINC001112553685	931534878	/nfs/dbraw/zinc/53/48/78/931534878.db2.gz	DGUQIJNNXSCUBO-JXFKEZNVSA-N	1	0	364.453	1.518	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCn1nc(C)nc1C)C2	ZINC001112560702	931579914	/nfs/dbraw/zinc/57/99/14/931579914.db2.gz	KXHBARLRRCKSAN-ICSRJNTNSA-N	1	0	357.502	1.917	20	30		FDEDRO
CC[C@H](CC(C)C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1	ZINC001112558960	931582950	/nfs/dbraw/zinc/58/29/50/931582950.db2.gz	FJCVWEHNOKWUQH-UWVAXJGDSA-N	1	0	362.518	1.917	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C)CC(F)(F)C1)C2	ZINC001112561288	931587012	/nfs/dbraw/zinc/58/70/12/931587012.db2.gz	PPENOJKRMPLNSV-KSSFIOAISA-N	1	0	367.440	1.390	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)C1CCCC1)C2	ZINC001112560963	931605361	/nfs/dbraw/zinc/60/53/61/931605361.db2.gz	ZXVXCFJSDPXCNU-MDKPJZGXSA-N	1	0	359.514	1.780	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc(C(=O)NC)n1)C2	ZINC001112571740	931656021	/nfs/dbraw/zinc/65/60/21/931656021.db2.gz	LNLATDZHAPHWDS-YWZLYKJASA-N	1	0	354.454	1.296	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C)n(C)c1C)C2	ZINC001112575291	931703657	/nfs/dbraw/zinc/70/36/57/931703657.db2.gz	BIOLGFFWZVTAST-UWJYYQICSA-N	1	0	370.497	1.223	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1nccnc1C(N)=O)C2	ZINC001112575732	931704988	/nfs/dbraw/zinc/70/49/88/931704988.db2.gz	ZLLCKDWOBVRFOW-SIFCLUCFSA-N	1	0	371.485	1.762	20	30		FDEDRO
N#Cc1ccccc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCNC(N)=O)C2	ZINC001112576175	931708291	/nfs/dbraw/zinc/70/82/91/931708291.db2.gz	ZDPBIBSBAGQBDQ-PXNSSMCTSA-N	1	0	369.469	1.335	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c[nH]c(C(N)=O)c1)C2	ZINC001112579717	931717229	/nfs/dbraw/zinc/71/72/29/931717229.db2.gz	FAKPEVLXOSWHDA-KXBFYZLASA-N	1	0	360.458	1.148	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCS(=O)(=O)N(C)C)C2	ZINC001112583619	931756905	/nfs/dbraw/zinc/75/69/05/931756905.db2.gz	AZLWXZOCMBMDCN-WMZOPIPTSA-N	1	0	371.547	1.452	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CS(=O)(=O)C(C)C)C2	ZINC001112581164	931764160	/nfs/dbraw/zinc/76/41/60/931764160.db2.gz	ZHEBPUNNFLSQPC-WMZOPIPTSA-N	1	0	356.532	1.994	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCc3nncn3C1)C2	ZINC001112584148	931782153	/nfs/dbraw/zinc/78/21/53/931782153.db2.gz	CYRMJLQEWOJORS-MPGHIAIKSA-N	1	0	363.893	1.811	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(C)C(C)C)C1	ZINC001112588604	931797569	/nfs/dbraw/zinc/79/75/69/931797569.db2.gz	JZBGZJYZDBBPIN-PXNSSMCTSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCNC(=O)C2CC2)C1	ZINC001112589923	931807568	/nfs/dbraw/zinc/80/75/68/931807568.db2.gz	WBMGBDRDAIDZKX-KNBMTAEXSA-N	1	0	363.502	1.322	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c(OC)ncnc1OC)C2	ZINC001112590969	931818597	/nfs/dbraw/zinc/81/85/97/931818597.db2.gz	AYHFFXMRJFPYBI-LIRRHRJNSA-N	1	0	360.458	1.902	20	30		FDEDRO
C[NH+](C)CCc1ccc(CNC(=O)NCCNc2ncccc2C#N)cc1	ZINC000786224597	931832397	/nfs/dbraw/zinc/83/23/97/931832397.db2.gz	YKWIKQQINOPHGC-UHFFFAOYSA-N	1	0	366.469	1.969	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)N1CCOCC1)C2	ZINC001112593354	931850186	/nfs/dbraw/zinc/85/01/86/931850186.db2.gz	KCTRIGZDWKTCQX-BJLQDIEVSA-N	1	0	365.518	1.128	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](CC(C)C)C(N)=O)C2	ZINC001112593336	931850661	/nfs/dbraw/zinc/85/06/61/931850661.db2.gz	JDCSYYJHYZQJEV-ZWOKBUDYSA-N	1	0	363.502	1.002	20	30		FDEDRO
CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N	ZINC000786812410	932047785	/nfs/dbraw/zinc/04/77/85/932047785.db2.gz	HOMJDMBKRHFQAY-HUUCEWRRSA-N	1	0	367.494	1.729	20	30		FDEDRO
CC(=NN[C@@H]1CCOC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1	ZINC000788444784	932699610	/nfs/dbraw/zinc/69/96/10/932699610.db2.gz	BEXWNKVXKKHPKY-MRXNPFEDSA-N	1	0	368.503	1.019	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCCNc2ncccc2C#N)C1	ZINC000746759101	932792553	/nfs/dbraw/zinc/79/25/53/932792553.db2.gz	ZWARAYXIYWKXPS-QGZVFWFLSA-N	1	0	374.489	1.507	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCCNc2ncccc2C#N)C1	ZINC000746759100	932792935	/nfs/dbraw/zinc/79/29/35/932792935.db2.gz	ZWARAYXIYWKXPS-KRWDZBQOSA-N	1	0	374.489	1.507	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)CN(C[N@@H+]3CCC[C@H]3[C@@H]3CCCO3)C2=O)cc1	ZINC000789516196	933067705	/nfs/dbraw/zinc/06/77/05/933067705.db2.gz	UJOQFSJRYATHPB-ROUUACIJSA-N	1	0	368.437	1.923	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(S(=O)(=O)CC(C)(C)C#N)CC1	ZINC000790014432	933317482	/nfs/dbraw/zinc/31/74/82/933317482.db2.gz	IADRFRSQGBLAPU-IYBDPMFKSA-N	1	0	356.536	1.356	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1c1ccccc1	ZINC001086588784	933623891	/nfs/dbraw/zinc/62/38/91/933623891.db2.gz	OBCIUOJKOGHDFL-WCIQWLHISA-N	1	0	358.482	1.934	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccn3nnnc23)C1	ZINC001086590102	933652521	/nfs/dbraw/zinc/65/25/21/933652521.db2.gz	LWUKZUBCOUXOPF-ZWKOTPCHSA-N	1	0	360.421	1.345	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2ncn(C)c2=O)C1	ZINC001086595983	933925726	/nfs/dbraw/zinc/92/57/26/933925726.db2.gz	FDCOXOXZPWVNMS-ZWKOTPCHSA-N	1	0	369.469	1.132	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2COCCN2CC)C1	ZINC001086595987	933926636	/nfs/dbraw/zinc/92/66/36/933926636.db2.gz	FFJPZIDSFMNKED-ZCNNSNEGSA-N	1	0	357.498	1.867	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2COCCN2CC)C1	ZINC001086596299	933926720	/nfs/dbraw/zinc/92/67/20/933926720.db2.gz	VBGMACHSNUQQEU-ZCNNSNEGSA-N	1	0	355.482	1.315	20	30		FDEDRO
C#CCn1cc(CNC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)cn1	ZINC000791264488	933936959	/nfs/dbraw/zinc/93/69/59/933936959.db2.gz	MZHAMMQXNDVQIK-UHFFFAOYSA-N	1	0	365.481	1.977	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000791325617	933961493	/nfs/dbraw/zinc/96/14/93/933961493.db2.gz	HIBZSBKUGBHYBD-UHFFFAOYSA-N	1	0	351.472	1.205	20	30		FDEDRO
C#CCCCS(=O)(=O)NCc1ccccc1CN1CC[NH+](CC)CC1	ZINC000791422782	934012592	/nfs/dbraw/zinc/01/25/92/934012592.db2.gz	GUWRWVUKLNBNNY-UHFFFAOYSA-N	1	0	363.527	1.657	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)Cc2ccc(F)c(F)c2)CC1	ZINC000791488460	934021886	/nfs/dbraw/zinc/02/18/86/934021886.db2.gz	WJWFDNKZTWCDEC-HNNXBMFYSA-N	1	0	350.409	1.577	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1	ZINC001086600791	934078762	/nfs/dbraw/zinc/07/87/62/934078762.db2.gz	NWKCTHPYMALWDZ-ALGQRKQJSA-N	1	0	368.477	1.645	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@H]1c1ccncc1	ZINC001114295922	938392610	/nfs/dbraw/zinc/39/26/10/938392610.db2.gz	FYBKNINWSUPYPN-GFEQUFNTSA-N	1	0	357.454	1.408	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)no2)[C@@H](n2ccnn2)C1	ZINC001129396648	938402290	/nfs/dbraw/zinc/40/22/90/938402290.db2.gz	KKKMWZGGLCLDOU-XQQFMLRXSA-N	1	0	364.837	1.930	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)CC[C@H]2CC(C)(C)CO2)[C@@H](n2ccnn2)C1	ZINC001129407169	938404636	/nfs/dbraw/zinc/40/46/36/938404636.db2.gz	GVUSJMCIWSQIFD-BBWFWOEESA-N	1	0	361.490	1.791	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CC(C)(C)CO2)[C@@H](n2ccnn2)C1	ZINC001129407977	938405348	/nfs/dbraw/zinc/40/53/48/938405348.db2.gz	ZBUZNZFOEQISFP-ZACQAIPSSA-N	1	0	359.474	1.238	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnn3cc[nH]c23)[C@@H](n2ccnn2)C1	ZINC001129404621	938417624	/nfs/dbraw/zinc/41/76/24/938417624.db2.gz	ZABLAJTXVNVQCK-IMJJTQAJSA-N	1	0	368.445	1.264	20	30		FDEDRO
C=CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1)c1ccccc1	ZINC001129449058	938419442	/nfs/dbraw/zinc/41/94/42/938419442.db2.gz	GGBOAEXJTZVYIG-QRVBRYPASA-N	1	0	369.469	1.362	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cncnc2CC)[C@@H](n2ccnn2)C1	ZINC001129437670	938424722	/nfs/dbraw/zinc/42/47/22/938424722.db2.gz	DGOBFFOMMDVZFD-OLMNPRSZSA-N	1	0	369.473	1.641	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)COCc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129438135	938425234	/nfs/dbraw/zinc/42/52/34/938425234.db2.gz	PCXURFDPQWVFFG-MOPGFXCFSA-N	1	0	369.469	1.803	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)Cc2ccccc2C)[C@@H](n2ccnn2)C1	ZINC001129470840	938430324	/nfs/dbraw/zinc/43/03/24/938430324.db2.gz	OTMDTQNBLMLGPC-RLLQIKCJSA-N	1	0	365.481	1.830	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@@H]1n1ccnn1	ZINC001129482305	938434657	/nfs/dbraw/zinc/43/46/57/938434657.db2.gz	SRBIMNQPBDAIFX-NXHRZFHOSA-N	1	0	359.474	1.711	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)OC)C[C@@H]2n2ccnn2)CCCC1	ZINC001129490822	938442466	/nfs/dbraw/zinc/44/24/66/938442466.db2.gz	PSRUIYMSJFIEOA-BBWFWOEESA-N	1	0	361.490	1.791	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CCc2ccc(C)s2)[C@@H](n2ccnn2)C1	ZINC001129496286	938443968	/nfs/dbraw/zinc/44/39/68/938443968.db2.gz	JJOBYQFNMGTPCU-SJORKVTESA-N	1	0	357.483	1.646	20	30		FDEDRO
CC(C)CC(=O)N1C[C@@H]([NH2+]CC#Cc2ccc(F)cc2)[C@@H](n2ccnn2)C1	ZINC001129528778	938445615	/nfs/dbraw/zinc/44/56/15/938445615.db2.gz	AMDUKGPMBARFRM-MOPGFXCFSA-N	1	0	369.444	1.857	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2c(C)csc2=O)C1	ZINC001086623305	938450014	/nfs/dbraw/zinc/45/00/14/938450014.db2.gz	WVMHLOARLIKISE-ZWKOTPCHSA-N	1	0	369.490	1.826	20	30		FDEDRO
CSCC(=O)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129547587	938451123	/nfs/dbraw/zinc/45/11/23/938451123.db2.gz	GISXTSGZTQCXSJ-SJORKVTESA-N	1	0	355.467	1.034	20	30		FDEDRO
N#CCSCC(=O)N1C[C@@H]([NH2+]CCC2CCCC2)[C@@H](n2ccnn2)C1	ZINC001129603868	938462891	/nfs/dbraw/zinc/46/28/91/938462891.db2.gz	NPLVGSOURLZTAS-CVEARBPZSA-N	1	0	362.503	1.457	20	30		FDEDRO
CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H](n2ccnn2)C1	ZINC001129617552	938469861	/nfs/dbraw/zinc/46/98/61/938469861.db2.gz	BUVQLAGDQJTOLF-QGTPRVQTSA-N	1	0	368.441	1.116	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]CC(=O)Nc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129666581	938478441	/nfs/dbraw/zinc/47/84/41/938478441.db2.gz	CGCZALOWDBOWND-SJORKVTESA-N	1	0	368.441	1.225	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cncc(C)c2)C[C@@H]1n1ccnn1	ZINC001129712654	938491939	/nfs/dbraw/zinc/49/19/39/938491939.db2.gz	MSEFUPNMPWBYEC-NXHRZFHOSA-N	1	0	354.458	1.992	20	30		FDEDRO
CC(C)(C)CCC[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1n1ccnn1	ZINC001129737454	938497357	/nfs/dbraw/zinc/49/73/57/938497357.db2.gz	PFPMDBXVWUFEKU-SJORKVTESA-N	1	0	369.473	1.959	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCO2)C[C@@H]1n1ccnn1	ZINC001129741554	938504390	/nfs/dbraw/zinc/50/43/90/938504390.db2.gz	BWZFJLYKVCDVER-FGTMMUONSA-N	1	0	361.490	1.935	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CN(CC)CCO2)C1	ZINC001086625261	938511610	/nfs/dbraw/zinc/51/16/10/938511610.db2.gz	RASJNWQTOPKUJO-XUVXKRRUSA-N	1	0	357.498	1.867	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CC2OCCCO2)C[C@@H]1n1ccnn1	ZINC001129783181	938515147	/nfs/dbraw/zinc/51/51/47/938515147.db2.gz	VTAPDLMUPXKJFV-XHSDSOJGSA-N	1	0	363.462	1.127	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cncnc2)C[C@@H]1n1ccnn1	ZINC001129788021	938516192	/nfs/dbraw/zinc/51/61/92/938516192.db2.gz	GHCIEZRTSBKPCY-UAGQMJEPSA-N	1	0	355.446	1.007	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CCC2CCCC2)[C@@H](n2ccnn2)C1	ZINC001129830124	938523894	/nfs/dbraw/zinc/52/38/94/938523894.db2.gz	VNGRLNJWFBFPSH-JQHSSLGASA-N	1	0	359.474	1.238	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N2C[C@@H]([NH2+]CC)[C@@H](n3ccnn3)C2)cc1	ZINC001129845647	938525623	/nfs/dbraw/zinc/52/56/23/938525623.db2.gz	RDLFNIISSIXSEX-MSOLQXFVSA-N	1	0	353.426	1.355	20	30		FDEDRO
O=C(NCC[NH2+]CC#Cc1ccccc1)[C@@H]1OCCO[C@@H]1c1ccccc1	ZINC001129856517	938529251	/nfs/dbraw/zinc/52/92/51/938529251.db2.gz	SEFVOECXASVKDM-NHCUHLMSSA-N	1	0	364.445	1.901	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C)N2CCCCC2=O)C1	ZINC001086625474	938529310	/nfs/dbraw/zinc/52/93/10/938529310.db2.gz	DDWFOUSXZPAGOQ-YSIASYRMSA-N	1	0	367.493	1.995	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCc3nncn3C2)C1	ZINC001086625634	938532450	/nfs/dbraw/zinc/53/24/50/938532450.db2.gz	OJHDNKYHPPRYPB-GBESFXJTSA-N	1	0	363.465	1.448	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@H](OCC)C(=C)C)C[C@@H]1n1ccnn1	ZINC001129878768	938536027	/nfs/dbraw/zinc/53/60/27/938536027.db2.gz	DJYTXNPBSLODPD-SQNIBIBYSA-N	1	0	361.490	1.957	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H]([NH2+]CCCOC)[C@@H](n2ccnn2)C1)OCC	ZINC001129878847	938536298	/nfs/dbraw/zinc/53/62/98/938536298.db2.gz	IETTVCBSWUZWOU-IKGGRYGDSA-N	1	0	365.478	1.027	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H]([NH2+]C[C@H]2CC(C)(C)CO2)[C@@H](n2ccnn2)C1	ZINC001129881284	938537490	/nfs/dbraw/zinc/53/74/90/938537490.db2.gz	DLFMXAPUTRSAPG-ZACQAIPSSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H]([NH2+]C[C@@H]2CC(C)(C)CO2)[C@@H](n2ccnn2)C1	ZINC001129881283	938537515	/nfs/dbraw/zinc/53/75/15/938537515.db2.gz	DLFMXAPUTRSAPG-BBWFWOEESA-N	1	0	361.490	1.791	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CC2(C(F)(F)F)CC2)C[C@@H]1n1ccnn1	ZINC001129890731	938541753	/nfs/dbraw/zinc/54/17/53/938541753.db2.gz	YFJBHGBUQCNLGN-OLZOCXBDSA-N	1	0	357.380	1.928	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)c2C)C[C@@H]1n1ccnn1	ZINC001129874359	938545389	/nfs/dbraw/zinc/54/53/89/938545389.db2.gz	AABNBOZTNLJYEU-MSOLQXFVSA-N	1	0	371.489	1.261	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCOC2)[C@@H](n2ccnn2)C1	ZINC001129876081	938546449	/nfs/dbraw/zinc/54/64/49/938546449.db2.gz	ADXOQQGYHWJYCG-ZACQAIPSSA-N	1	0	361.490	1.649	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccn(C(C)(C)C)n2)C[C@@H]1n1ccnn1	ZINC001129876434	938546965	/nfs/dbraw/zinc/54/69/65/938546965.db2.gz	PZSXYWHXHXEBQX-SJORKVTESA-N	1	0	371.489	1.851	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)C[C@H](C)CC3)C[C@@H]1n1ccnn1	ZINC001129910260	938549585	/nfs/dbraw/zinc/54/95/85/938549585.db2.gz	LEWBZYSSCDRKRE-INMHGKMJSA-N	1	0	369.473	1.288	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cc(C)ccn2)C[C@@H]1n1ccnn1	ZINC001129912396	938551289	/nfs/dbraw/zinc/55/12/89/938551289.db2.gz	COWDPCFZPNVXMJ-SJORKVTESA-N	1	0	366.469	1.324	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)n(CC)n2)C[C@@H]1n1ccnn1	ZINC001129894807	938556101	/nfs/dbraw/zinc/55/61/01/938556101.db2.gz	UBDBXQATAHLHOA-AEFFLSMTSA-N	1	0	369.473	1.603	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C(C)(C)CC(F)F)C[C@@H]1n1ccnn1	ZINC001129894675	938556122	/nfs/dbraw/zinc/55/61/22/938556122.db2.gz	ORIWFTBTZKOGMT-KGLIPLIRSA-N	1	0	371.432	1.504	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn3ccc(C)cc23)C[C@@H]1n1ccnn1	ZINC001129899711	938559539	/nfs/dbraw/zinc/55/95/39/938559539.db2.gz	IGKSPFIJBWXGOZ-AEFFLSMTSA-N	1	0	365.441	1.466	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2c(C)ncn2C)C[C@@H]1n1ccnn1	ZINC001129902272	938560909	/nfs/dbraw/zinc/56/09/09/938560909.db2.gz	BXDAYPLFYCWRFZ-SJORKVTESA-N	1	0	371.489	1.722	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(F)(F)F)no2)C[C@@H]1n1ccnn1	ZINC001129902253	938560930	/nfs/dbraw/zinc/56/09/30/938560930.db2.gz	AYJZUEJUTLWZGN-MNOVXSKESA-N	1	0	370.335	1.516	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)ncn3C)C[C@@H]1n1ccnn1	ZINC001129919266	938567817	/nfs/dbraw/zinc/56/78/17/938567817.db2.gz	SVUAPLUAADKBEJ-AEFFLSMTSA-N	1	0	365.441	1.396	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccccc2COC)C[C@@H]1n1ccnn1	ZINC001129920970	938568298	/nfs/dbraw/zinc/56/82/98/938568298.db2.gz	IGMIHVBBKRATLQ-MSOLQXFVSA-N	1	0	353.426	1.103	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnn(CCF)c2)C[C@@H]1n1ccnn1	ZINC001129921210	938568582	/nfs/dbraw/zinc/56/85/82/938568582.db2.gz	VRNMOXIJLHXABO-CVEARBPZSA-N	1	0	361.425	1.066	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(C)cc(C)n2)C[C@@H]1n1ccnn1	ZINC001129921134	938568633	/nfs/dbraw/zinc/56/86/33/938568633.db2.gz	RFOGCQWVNKEOPO-MSOLQXFVSA-N	1	0	354.458	1.911	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc3c2CCOC3)C[C@@H]1n1ccnn1	ZINC001129930319	938572704	/nfs/dbraw/zinc/57/27/04/938572704.db2.gz	CYQNLJFQJRVMBP-MOPGFXCFSA-N	1	0	365.437	1.029	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2c(C)nn(C)c2C)C[C@@H]1n1ccnn1	ZINC001129948890	938573604	/nfs/dbraw/zinc/57/36/04/938573604.db2.gz	FJTALAKKHUNHLR-MSOLQXFVSA-N	1	0	371.489	1.179	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)[nH]c2=O)C[C@@H]1n1ccnn1	ZINC001129949190	938574126	/nfs/dbraw/zinc/57/41/26/938574126.db2.gz	UCLCYJBJDHLEKU-CVEARBPZSA-N	1	0	370.457	1.617	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]C[C@H](F)CC)[C@@H](n3ccnn3)C2)cc1	ZINC001129952124	938575328	/nfs/dbraw/zinc/57/53/28/938575328.db2.gz	IREZDVTYFDNYIU-KURKYZTESA-N	1	0	355.417	1.663	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]CCC[C@@H](C)O)[C@@H](n3ccnn3)C2)cc1	ZINC001129952289	938575362	/nfs/dbraw/zinc/57/53/62/938575362.db2.gz	MYGGVJGJGSAAOM-LZQZEXGQSA-N	1	0	367.453	1.076	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n2ccnn2)C1	ZINC001129954689	938576771	/nfs/dbraw/zinc/57/67/71/938576771.db2.gz	ZLURMVYVVIWMAR-BXUZVOGGSA-N	1	0	367.881	1.601	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2ccc(C)n2)C[C@@H]1n1ccnn1	ZINC001129963730	938579139	/nfs/dbraw/zinc/57/91/39/938579139.db2.gz	BVFSARDSUOTVTN-ZACQAIPSSA-N	1	0	357.462	1.352	20	30		FDEDRO
CC(C)[C@@H](F)C(=O)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129969046	938586512	/nfs/dbraw/zinc/58/65/12/938586512.db2.gz	AXUGQBUKIWKIMF-CEXWTWQISA-N	1	0	369.444	1.665	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H]([NH2+]Cc2cn(C)nc2C)[C@@H](n2ccnn2)C1	ZINC001129973024	938591833	/nfs/dbraw/zinc/59/18/33/938591833.db2.gz	XKSXVXOASGJETF-MSOLQXFVSA-N	1	0	369.473	1.055	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cnn(C)c2)[C@@H](n2ccnn2)C1	ZINC001129977716	938592786	/nfs/dbraw/zinc/59/27/86/938592786.db2.gz	CRYNBFHTOJZFMS-UAGQMJEPSA-N	1	0	357.462	1.156	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](CCC)OCC)C[C@@H]1n1ccnn1	ZINC001129976750	938601509	/nfs/dbraw/zinc/60/15/09/938601509.db2.gz	XUACCYLTCCMDLW-IKGGRYGDSA-N	1	0	365.478	1.027	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C(C)(C)C(F)F)C[C@@H]1n1ccnn1	ZINC001129997379	938605545	/nfs/dbraw/zinc/60/55/45/938605545.db2.gz	KFDAZTXFNOXRJE-OLZOCXBDSA-N	1	0	357.405	1.114	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)cc(F)c2)C[C@@H]1n1ccnn1	ZINC001130020634	938619542	/nfs/dbraw/zinc/61/95/42/938619542.db2.gz	PEOCDGZMZSOXRA-MSOLQXFVSA-N	1	0	371.416	1.031	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(OCC)c(C)c2)C[C@@H]1n1ccnn1	ZINC001130026387	938629230	/nfs/dbraw/zinc/62/92/30/938629230.db2.gz	NXTILADHVUOROA-MSOLQXFVSA-N	1	0	367.453	1.664	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3cc(F)ccc3o2)C[C@@H]1n1ccnn1	ZINC001130028511	938630749	/nfs/dbraw/zinc/63/07/49/938630749.db2.gz	UNDOPANINNVQLC-CVEARBPZSA-N	1	0	367.384	1.842	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc(C)c2Cl)C[C@@H]1n1ccnn1	ZINC001130054913	938640277	/nfs/dbraw/zinc/64/02/77/938640277.db2.gz	WRQUGBHMMZDSCE-CVEARBPZSA-N	1	0	357.845	1.919	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn(CCC)c2C)C[C@@H]1n1ccnn1	ZINC001130054934	938640362	/nfs/dbraw/zinc/64/03/62/938640362.db2.gz	YIDFRLNFMHJBMQ-SJORKVTESA-N	1	0	357.462	1.424	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2c(C)n[nH]c2C)C[C@@H]1n1ccnn1	ZINC001130043909	938643059	/nfs/dbraw/zinc/64/30/59/938643059.db2.gz	GLFLCDXFNIHLPD-XKQJLSEDSA-N	1	0	371.489	1.729	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc3[nH]c(C)nc3c2)C[C@@H]1n1ccnn1	ZINC001130066482	938655012	/nfs/dbraw/zinc/65/50/12/938655012.db2.gz	BBJJLXMNWGKAIT-MSOLQXFVSA-N	1	0	363.425	1.141	20	30		FDEDRO
CCc1oc(C(=O)N2C[C@@H]([NH2+]CC#CCOC)[C@@H](n3ccnn3)C2)cc1C	ZINC001130083518	938664551	/nfs/dbraw/zinc/66/45/51/938664551.db2.gz	AQJWGWTXTGJVLY-CVEARBPZSA-N	1	0	371.441	1.047	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@@H]1n1ccnn1	ZINC001130079333	938672537	/nfs/dbraw/zinc/67/25/37/938672537.db2.gz	FPIIGEFCZMPNNI-SJORKVTESA-N	1	0	359.474	1.258	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2sccc2COC)C[C@@H]1n1ccnn1	ZINC001130088957	938675531	/nfs/dbraw/zinc/67/55/31/938675531.db2.gz	RLVQYUWWTNHPHD-CABCVRRESA-N	1	0	359.455	1.165	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]CCCCCC)[C@@H](n3ccnn3)C2)cn1	ZINC001130091168	938676491	/nfs/dbraw/zinc/67/64/91/938676491.db2.gz	DGAAIAJHIIVMBJ-MOPGFXCFSA-N	1	0	366.469	1.890	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC3(CCC3)CO2)C[C@@H]1n1ccnn1	ZINC001130096530	938680981	/nfs/dbraw/zinc/68/09/81/938680981.db2.gz	JZMJZLYQSMMCDP-KSZLIROESA-N	1	0	371.485	1.382	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CC(C)(C)CO2)C[C@@H]1n1ccnn1	ZINC001130102443	938684771	/nfs/dbraw/zinc/68/47/71/938684771.db2.gz	YXROYAUUBWFWCM-ZACQAIPSSA-N	1	0	359.474	1.238	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001130109665	938688388	/nfs/dbraw/zinc/68/83/88/938688388.db2.gz	DRMJYMNWBOXESZ-MSOLQXFVSA-N	1	0	357.433	1.968	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1	ZINC001130110069	938688925	/nfs/dbraw/zinc/68/89/25/938688925.db2.gz	SPGOPYDPSDDEJC-MSOLQXFVSA-N	1	0	355.417	1.203	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C2(CC=C)CCOCC2)C[C@@H]1n1ccnn1	ZINC001130110133	938688964	/nfs/dbraw/zinc/68/89/64/938688964.db2.gz	WRXNYKCHJWNKJC-SJORKVTESA-N	1	0	359.474	1.569	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](OC)C2CCCC2)C[C@@H]1n1ccnn1	ZINC001130112424	938691063	/nfs/dbraw/zinc/69/10/63/938691063.db2.gz	YUGMILCVCAHALR-SQNIBIBYSA-N	1	0	361.490	1.791	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COc2ccccc2C)C[C@@H]1n1ccnn1	ZINC001130112744	938692713	/nfs/dbraw/zinc/69/27/13/938692713.db2.gz	PFTAVORWELBMMU-SJORKVTESA-N	1	0	353.426	1.030	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2cccc(F)c2)C[C@@H]1n1ccnn1	ZINC001130115212	938694874	/nfs/dbraw/zinc/69/48/74/938694874.db2.gz	ZULTWJMFJZAGKZ-MSOLQXFVSA-N	1	0	357.433	1.968	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)nc2C)C[C@@H]1n1ccnn1	ZINC001130133931	938708472	/nfs/dbraw/zinc/70/84/72/938708472.db2.gz	KASHXFNBZYCDHW-MSOLQXFVSA-N	1	0	354.458	1.911	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCn2cc(C)cn2)C[C@@H]1n1ccnn1	ZINC001130140354	938712415	/nfs/dbraw/zinc/71/24/15/938712415.db2.gz	WUUDDCODZCNGTB-KSZLIROESA-N	1	0	371.489	1.570	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]([NH2+]CCOC)[C@@H](n3ccnn3)C2)CCCCC1	ZINC001130143253	938714448	/nfs/dbraw/zinc/71/44/48/938714448.db2.gz	QIIZAJNCAZRDJZ-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccccc2N(C)C)C[C@@H]1n1ccnn1	ZINC001130155607	938718530	/nfs/dbraw/zinc/71/85/30/938718530.db2.gz	RSOVZLFCPHSWOW-AEFFLSMTSA-N	1	0	352.442	1.023	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2CC(c3ccccc3)C2)C[C@@H]1n1ccnn1	ZINC001130158276	938719704	/nfs/dbraw/zinc/71/97/04/938719704.db2.gz	BAKJRCMFIQWCKY-TUNPWDSISA-N	1	0	363.465	1.837	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC23CCOCC3)C[C@@H]1n1ccnn1	ZINC001130158847	938720439	/nfs/dbraw/zinc/72/04/39/938720439.db2.gz	UXDBTYJCRFDACL-ZACQAIPSSA-N	1	0	359.474	1.403	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CN(C)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130148223	938722483	/nfs/dbraw/zinc/72/24/83/938722483.db2.gz	KPUHLBFFPKVQIG-MOPGFXCFSA-N	1	0	368.485	1.722	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]([NH2+]CC/C=C\CCC)[C@@H](n2ccnn2)C1	ZINC001130148362	938722764	/nfs/dbraw/zinc/72/27/64/938722764.db2.gz	OEVABHNWYIGTBB-JKCVZHOFSA-N	1	0	361.490	1.959	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccon2)[nH]1	ZINC001130187262	938733113	/nfs/dbraw/zinc/73/31/13/938733113.db2.gz	YDOHARJVDLZSPZ-JSGCOSHPSA-N	1	0	360.418	1.151	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCOC)[nH]1	ZINC001130187222	938733144	/nfs/dbraw/zinc/73/31/44/938733144.db2.gz	WXVVYGLMGXFIJO-GJZGRUSLSA-N	1	0	365.478	1.276	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)CSC)[nH]1	ZINC001130192912	938737389	/nfs/dbraw/zinc/73/73/89/938737389.db2.gz	AOGBHGSRINZQIY-RDBSUJKOSA-N	1	0	367.519	1.458	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC=CCC2)[nH]1	ZINC001130183135	938742345	/nfs/dbraw/zinc/74/23/45/938742345.db2.gz	RSJMZUQMCBWAMM-JYJNAYRXSA-N	1	0	359.474	1.815	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC2(OC)CCC2)[nH]1	ZINC001130205129	938745944	/nfs/dbraw/zinc/74/59/44/938745944.db2.gz	RORQNFTUDARAPP-KBPBESRZSA-N	1	0	363.462	1.028	20	30		FDEDRO
C#CCCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCC)[nH]1	ZINC001130205457	938746073	/nfs/dbraw/zinc/74/60/73/938746073.db2.gz	ZTHNNYQBGVBNMW-HOTGVXAUSA-N	1	0	361.490	1.877	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)CCCC)n1	ZINC001130207699	938747049	/nfs/dbraw/zinc/74/70/49/938747049.db2.gz	MNNKICBHTNIQHJ-JYJNAYRXSA-N	1	0	361.490	1.733	20	30		FDEDRO
O=C(C#CC1CC1)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CCC2)[nH]1	ZINC001130212909	938749964	/nfs/dbraw/zinc/74/99/64/938749964.db2.gz	KFMLSHFSQMPVOM-HOTGVXAUSA-N	1	0	357.458	1.097	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@]2(C)CC=CCC2)[nH]1	ZINC001130213247	938750198	/nfs/dbraw/zinc/75/01/98/938750198.db2.gz	VUOWOKIOUSLBIM-YZVOILCLSA-N	1	0	359.474	1.815	20	30		FDEDRO
C#CCCCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC#CC)n[nH]1	ZINC001130224919	938758807	/nfs/dbraw/zinc/75/88/07/938758807.db2.gz	ISSYNUODVGGHSB-IRXDYDNUSA-N	1	0	371.485	1.490	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC23CC3)n1	ZINC001130240098	938760774	/nfs/dbraw/zinc/76/07/74/938760774.db2.gz	IOFPQWFCCUCCMZ-AVGNSLFASA-N	1	0	365.865	1.436	20	30		FDEDRO
C=CC(C)(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CCC2)[nH]1	ZINC001130227910	938762141	/nfs/dbraw/zinc/76/21/41/938762141.db2.gz	VELSAMOLGIXBCL-GJZGRUSLSA-N	1	0	361.490	1.895	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)CC=C)[nH]1	ZINC001130240126	938762850	/nfs/dbraw/zinc/76/28/50/938762850.db2.gz	JOITVLSXFUDCFX-GJZGRUSLSA-N	1	0	359.474	1.509	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)C2CCC2)[nH]1	ZINC001130230341	938763839	/nfs/dbraw/zinc/76/38/39/938763839.db2.gz	SWDVZEZGYYBABV-GJZGRUSLSA-N	1	0	361.490	1.895	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)C(F)F)[nH]1	ZINC001130234907	938766099	/nfs/dbraw/zinc/76/60/99/938766099.db2.gz	OPWXFAUXXPVZCT-QWRGUYRKSA-N	1	0	357.405	1.360	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(CF)CCC2)[nH]1	ZINC001130238184	938767707	/nfs/dbraw/zinc/76/77/07/938767707.db2.gz	XWOHUNZAVIUZEA-KBPBESRZSA-N	1	0	363.437	1.046	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)CC(C)C)[nH]1	ZINC001130244467	938770539	/nfs/dbraw/zinc/77/05/39/938770539.db2.gz	IWDXNIFLYADCSX-PMPSAXMXSA-N	1	0	361.490	1.589	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)c2ccccc2)[nH]1	ZINC001130249169	938773683	/nfs/dbraw/zinc/77/36/83/938773683.db2.gz	NJARHNBRAGEYQW-XIRDDKMYSA-N	1	0	369.469	1.873	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCCCCC)n1	ZINC001130249307	938773712	/nfs/dbraw/zinc/77/37/12/938773712.db2.gz	XBTFOIOWLHANLM-HOTGVXAUSA-N	1	0	361.490	1.877	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CO[C@H](C)CC)CC1	ZINC001130281597	938779361	/nfs/dbraw/zinc/77/93/61/938779361.db2.gz	JWIWDSBNZZNTQJ-MDYRTPRTSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCCC(C)=O)CC1	ZINC001130269589	938784222	/nfs/dbraw/zinc/78/42/22/938784222.db2.gz	YYEARWFXPJNVMI-XLIONFOSSA-N	1	0	363.502	1.797	20	30		FDEDRO
C=CCOCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCCC)CC1	ZINC001130271880	938785600	/nfs/dbraw/zinc/78/56/00/938785600.db2.gz	YLVYCNPJAUHBMF-XLIONFOSSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCCOCC)CC1	ZINC001130276913	938788130	/nfs/dbraw/zinc/78/81/30/938788130.db2.gz	VGZMHVIDYATSPP-XLIONFOSSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCC[C@H](C)O)CC1	ZINC001130277010	938788263	/nfs/dbraw/zinc/78/82/63/938788263.db2.gz	YAHKKAUMGUAMJE-VPWXQRGCSA-N	1	0	365.518	1.589	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)COC)CC1	ZINC001130278814	938788809	/nfs/dbraw/zinc/78/88/09/938788809.db2.gz	FABVMVPCBAJMCJ-KYJSFNMBSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=C(C)CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCOCC)CC1	ZINC001130279225	938789306	/nfs/dbraw/zinc/78/93/06/938789306.db2.gz	WXEKWTLKRHWQKK-XLIONFOSSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[C@@H](C)OC)CC1	ZINC001130285743	938790426	/nfs/dbraw/zinc/79/04/26/938790426.db2.gz	OHLBNGDCYAOBFQ-MDYRTPRTSA-N	1	0	365.518	1.853	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C/C=C/Cl)CC1	ZINC001130290993	938795695	/nfs/dbraw/zinc/79/56/95/938795695.db2.gz	TVCLGOBYZBXDIY-FRBQKRAZSA-N	1	0	365.905	1.874	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCC=C)CC1	ZINC001130291149	938795938	/nfs/dbraw/zinc/79/59/38/938795938.db2.gz	ZFVLMUZAHBKREA-SUMDDJOVSA-N	1	0	361.486	1.076	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](OC)C2CCC2)CC1	ZINC001130293107	938796670	/nfs/dbraw/zinc/79/66/70/938796670.db2.gz	MCCMTDSOEGWXAN-NZSAHSFTSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCO)CC1	ZINC001130293281	938796821	/nfs/dbraw/zinc/79/68/21/938796821.db2.gz	RFUPAQYBQFZJKE-APWZRJJASA-N	1	0	365.518	1.447	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2cccnc2)CC1	ZINC001130293345	938796900	/nfs/dbraw/zinc/79/69/00/938796900.db2.gz	VGRAIEJFIXMFTG-NQIIRXRSSA-N	1	0	368.481	1.123	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2ccon2)CC1	ZINC001130293483	938797001	/nfs/dbraw/zinc/79/70/01/938797001.db2.gz	WKMHTURUGUFKCF-APWZRJJASA-N	1	0	360.458	1.269	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCO)CC1	ZINC001130295856	938798242	/nfs/dbraw/zinc/79/82/42/938798242.db2.gz	VRAVFWGNYHKOSD-XLIONFOSSA-N	1	0	363.502	1.038	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](F)C(C)C)CC1	ZINC001130298657	938798729	/nfs/dbraw/zinc/79/87/29/938798729.db2.gz	AAHZGHXCCCEGJW-NXHRZFHOSA-N	1	0	351.466	1.479	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCC)CC1	ZINC001130309239	938806356	/nfs/dbraw/zinc/80/63/56/938806356.db2.gz	JIPWYYIQSOYEPI-APWZRJJASA-N	1	0	351.491	1.465	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CC[C@@H](C)O2)C1	ZINC001130423537	938844252	/nfs/dbraw/zinc/84/42/52/938844252.db2.gz	RSGLEYPOPYQERF-HLLBOEOZSA-N	1	0	360.458	1.033	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(=O)[nH]n2)C1	ZINC001086635849	938846535	/nfs/dbraw/zinc/84/65/35/938846535.db2.gz	IDBDEBBJVFYDTD-BLLLJJGKSA-N	1	0	369.400	1.881	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cnc(C)cn3)C2)C1=O	ZINC001086636885	938854831	/nfs/dbraw/zinc/85/48/31/938854831.db2.gz	GUAIDKZZGUSFBU-ARFHVFGLSA-N	1	0	357.458	1.060	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(=O)[nH]n3)C2)c1	ZINC001086637946	938866633	/nfs/dbraw/zinc/86/66/33/938866633.db2.gz	GSMZTEWNEZHLBR-DZGCQCFKSA-N	1	0	369.400	1.881	20	30		FDEDRO
CC1CC(C[NH2+][C@@H]2CN(C(=O)CSCC#N)C[C@H]2c2cn(C)cn2)C1	ZINC001130502155	938885158	/nfs/dbraw/zinc/88/51/58/938885158.db2.gz	AAVIGSKHLZDHMO-UMPYDWHISA-N	1	0	361.515	1.607	20	30		FDEDRO
Cn1cnc([C@@H]2CN(C(=O)CSCC#N)C[C@H]2[NH2+]Cc2ccccn2)c1	ZINC001130502440	938885560	/nfs/dbraw/zinc/88/55/60/938885560.db2.gz	MDATWPWKODGFKM-DOTOQJQBSA-N	1	0	370.482	1.156	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2n[nH]c(C)c2C)C[C@H]1c1cn(C)cn1	ZINC001130541871	938899004	/nfs/dbraw/zinc/89/90/04/938899004.db2.gz	NQDMYUNDDGILEQ-DOTOQJQBSA-N	1	0	356.474	1.924	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCC[C@](O)(C[NH+]2CCN(CCC#N)CC2)CC1	ZINC000822785482	945224100	/nfs/dbraw/zinc/22/41/00/945224100.db2.gz	QWVZNPSMWKFRII-LJQANCHMSA-N	1	0	366.506	1.670	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOC(C)C)C1	ZINC001130575940	939878652	/nfs/dbraw/zinc/87/86/52/939878652.db2.gz	BQYBHUDXFJNBJQ-PKOBYXMFSA-N	1	0	360.502	1.923	20	30		FDEDRO
Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1c1cn(C)cn1	ZINC001130583851	939884305	/nfs/dbraw/zinc/88/43/05/939884305.db2.gz	VENPRAWQDONBLO-PKOBYXMFSA-N	1	0	369.469	1.769	20	30		FDEDRO
Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1c1cn(C)cn1	ZINC001130583770	939884574	/nfs/dbraw/zinc/88/45/74/939884574.db2.gz	QAMLPDONPCCVJR-PKOBYXMFSA-N	1	0	368.485	1.206	20	30		FDEDRO
Cn1cnc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2[NH2+]CCOC2CCC2)c1	ZINC001130587117	939887330	/nfs/dbraw/zinc/88/73/30/939887330.db2.gz	GODKDNDDYFFGNW-PKOBYXMFSA-N	1	0	356.470	1.287	20	30		FDEDRO
CO[C@@H](C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1cn(C)cn1)C1CCC1	ZINC001130587440	939887906	/nfs/dbraw/zinc/88/79/06/939887906.db2.gz	NYIFXAMKOBITJH-SXLOBPIMSA-N	1	0	370.497	1.533	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnc(C)nc2)C1	ZINC001130578490	939891096	/nfs/dbraw/zinc/89/10/96/939891096.db2.gz	PHLLKMOHSDPJMK-PKOBYXMFSA-N	1	0	366.469	1.406	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCCCOC)C1	ZINC001130580406	939893144	/nfs/dbraw/zinc/89/31/44/939893144.db2.gz	DQAQAZCLQINYLS-PKOBYXMFSA-N	1	0	360.502	1.924	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COCC2CCCC2)C[C@H]1c1cn(C)cn1	ZINC001130608135	939905825	/nfs/dbraw/zinc/90/58/25/939905825.db2.gz	YXQJRQCBXSZCNQ-PKOBYXMFSA-N	1	0	358.486	1.534	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](OCC)C(C)C)C[C@H]1c1cn(C)cn1	ZINC001130610297	939907521	/nfs/dbraw/zinc/90/75/21/939907521.db2.gz	GWVNPSVYDGYZFL-UHOSZYNNSA-N	1	0	360.502	1.779	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2nc(CC)c[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130609926	939907702	/nfs/dbraw/zinc/90/77/02/939907702.db2.gz	BZQFKSIELBGVAK-FUHWJXTLSA-N	1	0	370.501	1.799	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnc(C3CC3)o2)C[C@H]1c1cn(C)cn1	ZINC001130610338	939908035	/nfs/dbraw/zinc/90/80/35/939908035.db2.gz	JFWXUWMJEKDODN-GOEBONIOSA-N	1	0	353.426	1.507	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c(C)ncn2C)C[C@H]1c1cn(C)cn1	ZINC001130612148	939910134	/nfs/dbraw/zinc/91/01/34/939910134.db2.gz	RMIWVPWQRDTITJ-DOTOQJQBSA-N	1	0	356.474	1.626	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1C#N	ZINC000806389564	939911170	/nfs/dbraw/zinc/91/11/70/939911170.db2.gz	UBPCCHCGWGZUGK-KRWDZBQOSA-N	1	0	374.485	1.666	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)n2ccnc2)C[C@H]1c1cn(C)cn1	ZINC001130614717	939912061	/nfs/dbraw/zinc/91/20/61/939912061.db2.gz	CSGBCRQWLJZBHM-QXAKKESOSA-N	1	0	370.501	1.974	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2ccncc2)C[C@H]1c1cn(C)cn1	ZINC001130615264	939912810	/nfs/dbraw/zinc/91/28/10/939912810.db2.gz	NXYVEHQOIGVMRG-XKGZKEIXSA-N	1	0	365.481	1.916	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#CC)C1)OCC	ZINC001130602589	939914247	/nfs/dbraw/zinc/91/42/47/939914247.db2.gz	JPDUTULPWFPLSX-UHOSZYNNSA-N	1	0	358.486	1.699	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccn(C(C)(C)C)n2)C[C@H]1c1cn(C)cn1	ZINC001130603070	939914903	/nfs/dbraw/zinc/91/49/03/939914903.db2.gz	XDGWJOJOSBYLCE-MAUKXSAKSA-N	1	0	368.485	1.593	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H](OCC)C(=C)C)C[C@H]1c1cn(C)cn1	ZINC001130603066	939915041	/nfs/dbraw/zinc/91/50/41/939915041.db2.gz	WYEODGLWHORWQP-UHOSZYNNSA-N	1	0	358.486	1.699	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCF)C1	ZINC001130607862	939919658	/nfs/dbraw/zinc/91/96/58/939919658.db2.gz	NZMJPLPNTLGIFZ-DOTOQJQBSA-N	1	0	359.449	1.965	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@@H](C)OC)C1	ZINC001130607922	939919729	/nfs/dbraw/zinc/91/97/29/939919729.db2.gz	RPNILFRHMRQFHN-SOLBZPMBSA-N	1	0	371.485	1.640	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cncc3C2)C[C@H]1c1cn(C)cn1	ZINC001130622163	939920855	/nfs/dbraw/zinc/92/08/55/939920855.db2.gz	UKVJMPMKUGTMDM-HHXXYDBFSA-N	1	0	368.485	1.339	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1c1cn(C)cn1	ZINC001130626606	939924070	/nfs/dbraw/zinc/92/40/70/939924070.db2.gz	NWJXUWNWUNJVJE-DZGCQCFKSA-N	1	0	371.441	1.276	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccccc2COC)C[C@H]1c1cn(C)cn1	ZINC001130621991	939931853	/nfs/dbraw/zinc/93/18/53/939931853.db2.gz	LGEUNHLPDRSGRW-AZUAARDMSA-N	1	0	366.465	1.788	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCn2nc(C)cc2C)C[C@H]1c1cn(C)cn1	ZINC001130637651	939939495	/nfs/dbraw/zinc/93/94/95/939939495.db2.gz	FBEAXOXWJMBFEO-PKOBYXMFSA-N	1	0	370.501	1.784	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2n[nH]nc2C)C[C@H]1c1cn(C)cn1	ZINC001130637952	939940271	/nfs/dbraw/zinc/94/02/71/939940271.db2.gz	TUKPLLXVVRMBMX-IVMMDQJWSA-N	1	0	357.462	1.399	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2CC3(CCC3)C2)C[C@H]1c1cn(C)cn1	ZINC001130644118	939952473	/nfs/dbraw/zinc/95/24/73/939952473.db2.gz	IICUKGBNERLMQL-PKOBYXMFSA-N	1	0	370.497	1.534	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cn(C)nc2C)C1	ZINC001130664568	939957462	/nfs/dbraw/zinc/95/74/62/939957462.db2.gz	WLTHRDLJUSUCJL-PKOBYXMFSA-N	1	0	370.501	1.903	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)CC)C[C@H]1c1cn(C)cn1	ZINC001130656798	939960828	/nfs/dbraw/zinc/96/08/28/939960828.db2.gz	QQKMNYCJUASASW-GOEBONIOSA-N	1	0	361.490	1.043	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(Cl)c[nH]3)C2)C1=O	ZINC001086643364	939964016	/nfs/dbraw/zinc/96/40/16/939964016.db2.gz	UGPWAXPTWMBMGH-CFVMTHIKSA-N	1	0	364.877	1.943	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC[C@H](C)F)C2)c1	ZINC001130669514	939970027	/nfs/dbraw/zinc/97/00/27/939970027.db2.gz	FYJNMJOYFIERII-UCLAIMLFSA-N	1	0	369.444	1.742	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccn(C)c2CC)C[C@H]1c1cn(C)cn1	ZINC001130672351	939971427	/nfs/dbraw/zinc/97/14/27/939971427.db2.gz	OEEXSOZKBPEJDK-FUHWJXTLSA-N	1	0	353.470	1.542	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ocnc2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130672556	939972014	/nfs/dbraw/zinc/97/20/14/939972014.db2.gz	SGFLCHGQRKGRMD-GOEBONIOSA-N	1	0	353.426	1.507	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C(C)C)C1	ZINC001130687483	939977094	/nfs/dbraw/zinc/97/70/94/939977094.db2.gz	BXXWRNSWQYDMRT-XYJFISCASA-N	1	0	361.490	1.183	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn(CCC)c2)C[C@H]1c1cn(C)cn1	ZINC001130683063	939982972	/nfs/dbraw/zinc/98/29/72/939982972.db2.gz	WEQBWMJQYRBJOI-FUHWJXTLSA-N	1	0	354.458	1.248	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc(OC)c2F)C[C@H]1c1cn(C)cn1	ZINC001130700888	939996107	/nfs/dbraw/zinc/99/61/07/939996107.db2.gz	IEKFLXNLNMGIOU-DOTOQJQBSA-N	1	0	370.428	1.789	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3c([nH]2)CCC3)C[C@H]1c1cn(C)cn1	ZINC001130710176	939998333	/nfs/dbraw/zinc/99/83/33/939998333.db2.gz	PPCHXSWBRMBXSO-HNAYVOBHSA-N	1	0	351.454	1.458	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3n[nH]cc3C2)C[C@H]1c1cn(C)cn1	ZINC001130712650	939998932	/nfs/dbraw/zinc/99/89/32/939998932.db2.gz	FSFHNXZDWFRTSD-SIXWZSSISA-N	1	0	368.485	1.408	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCOCC)C2)cn1	ZINC001130714955	940007131	/nfs/dbraw/zinc/00/71/31/940007131.db2.gz	PXWGNXCAZZOUES-PKOBYXMFSA-N	1	0	367.453	1.031	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCOc2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130725789	940030511	/nfs/dbraw/zinc/03/05/11/940030511.db2.gz	FKGKBVAZZATAQA-PKOBYXMFSA-N	1	0	354.454	1.959	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CNC(=O)[C@@H](C)CC)C[C@H]1c1cn(C)cn1	ZINC001130731518	940044799	/nfs/dbraw/zinc/04/47/99/940044799.db2.gz	IAIMUFRYVMNEFG-YQQAZPJKSA-N	1	0	361.490	1.043	20	30		FDEDRO
COCC[NH2+][C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130732080	940045649	/nfs/dbraw/zinc/04/56/49/940045649.db2.gz	YFFQZAYNWMMIRP-AZUAARDMSA-N	1	0	366.465	1.392	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3cccs3)n2)O1	ZINC001130744806	940048283	/nfs/dbraw/zinc/04/82/83/940048283.db2.gz	MBIRQDWBEIZRME-GXTWGEPZSA-N	1	0	359.455	1.168	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ncccc2OCC)C[C@H]1c1cn(C)cn1	ZINC001130746821	940052599	/nfs/dbraw/zinc/05/25/99/940052599.db2.gz	KQHANRONUBCAQF-DOTOQJQBSA-N	1	0	369.469	1.988	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccccn3)n2)O1	ZINC001130749451	940055865	/nfs/dbraw/zinc/05/58/65/940055865.db2.gz	IEQXHXBTYOFVNG-GOEBONIOSA-N	1	0	370.457	1.906	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cccc(F)c3)n2)O1	ZINC001130752835	940060299	/nfs/dbraw/zinc/06/02/99/940060299.db2.gz	CUTZJHUHHCHXBU-JKSUJKDBSA-N	1	0	371.416	1.707	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COC(C)C)n2)O1	ZINC001130761902	940068110	/nfs/dbraw/zinc/06/81/10/940068110.db2.gz	IEWYMVHLZHBRSY-QWHCGFSZSA-N	1	0	371.869	1.408	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCCCOC)n2)O1	ZINC001130761906	940068230	/nfs/dbraw/zinc/06/82/30/940068230.db2.gz	IKMPPVGVTTZLPW-LSDHHAIUSA-N	1	0	363.462	1.071	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCOC3)n2)O1	ZINC001130762052	940069177	/nfs/dbraw/zinc/06/91/77/940069177.db2.gz	NEVYPGWHEGJTNE-SOUVJXGZSA-N	1	0	363.462	1.233	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](CC)OC)n2)O1	ZINC001130762397	940070968	/nfs/dbraw/zinc/07/09/68/940070968.db2.gz	UMSBJVHRCQYSDD-RRFJBIMHSA-N	1	0	365.478	1.622	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(C)n3C)n2)O1	ZINC001130756373	940077872	/nfs/dbraw/zinc/07/78/72/940077872.db2.gz	CSRHBJYCRGHNBY-GOEBONIOSA-N	1	0	370.457	1.215	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](CC)OCC)n2)O1	ZINC001130765552	940096900	/nfs/dbraw/zinc/09/69/00/940096900.db2.gz	XOAQQCXHEFOYGQ-RRFJBIMHSA-N	1	0	365.478	1.622	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)C#N)n2)O1	ZINC001130769825	940107722	/nfs/dbraw/zinc/10/77/22/940107722.db2.gz	PZDUVLSVNMGIQL-ADEWGFFLSA-N	1	0	352.826	1.143	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)CSC)n2)O1	ZINC001130772423	940112415	/nfs/dbraw/zinc/11/24/15/940112415.db2.gz	MHLLJXNUXIIZGF-HZSPNIEDSA-N	1	0	365.503	1.253	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccns3)n2)O1	ZINC001130785281	940119867	/nfs/dbraw/zinc/11/98/67/940119867.db2.gz	JMMPEGOJGXKYCW-NWDGAFQWSA-N	1	0	360.443	1.024	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3coc(CC)n3)n2)O1	ZINC001130776381	940124663	/nfs/dbraw/zinc/12/46/63/940124663.db2.gz	BQZBFIMGJRHCST-WCQYABFASA-N	1	0	360.418	1.281	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC3CCOCC3)n2)O1	ZINC001130776364	940124999	/nfs/dbraw/zinc/12/49/99/940124999.db2.gz	ATSDSAKMFLXGCB-LSDHHAIUSA-N	1	0	363.462	1.233	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H]3CCCCO3)n2)O1	ZINC001130776654	940126546	/nfs/dbraw/zinc/12/65/46/940126546.db2.gz	KDLLEWJCADLFBC-QLFBSQMISA-N	1	0	363.462	1.376	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3CC(OCC)C3)n2)O1	ZINC001130778084	940130950	/nfs/dbraw/zinc/13/09/50/940130950.db2.gz	FHFIULJSMWBQST-OOJKYFRXSA-N	1	0	363.462	1.232	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ncc[nH]3)n2)O1	ZINC001130781246	940137162	/nfs/dbraw/zinc/13/71/62/940137162.db2.gz	VCJZPYQIXPGCGG-QWHCGFSZSA-N	1	0	359.434	1.234	20	30		FDEDRO
C#CCCCNC(=O)C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1	ZINC000806912130	940140005	/nfs/dbraw/zinc/14/00/05/940140005.db2.gz	WCILPMIWCKIMDR-HKUYNNGSSA-N	1	0	355.482	1.933	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3sccc3F)n2)O1	ZINC001130782752	940141633	/nfs/dbraw/zinc/14/16/33/940141633.db2.gz	BSMFXGILXCMEHL-CMPLNLGQSA-N	1	0	365.434	1.931	20	30		FDEDRO
CC(C)C#CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC[C@H](C)F)O2)n[nH]1	ZINC001130783117	940142169	/nfs/dbraw/zinc/14/21/69/940142169.db2.gz	KSCMBUBPSABOBL-SOUVJXGZSA-N	1	0	365.453	1.638	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cnco3)n2)O1	ZINC001130794545	940146392	/nfs/dbraw/zinc/14/63/92/940146392.db2.gz	YYGLULWTOXHYKZ-QWHCGFSZSA-N	1	0	360.418	1.499	20	30		FDEDRO
C#CCCCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCC#C)O2)n[nH]1	ZINC001130796396	940149740	/nfs/dbraw/zinc/14/97/40/940149740.db2.gz	PMCKSRYZJCRSHQ-DLBZAZTESA-N	1	0	371.485	1.838	20	30		FDEDRO
C=CC(C)(C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCOCC)O2)n[nH]1	ZINC001130796587	940153165	/nfs/dbraw/zinc/15/31/65/940153165.db2.gz	ZGXSMUURWFIJTH-UONOGXRCSA-N	1	0	365.478	1.479	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)C3CCC3)n2)O1	ZINC001130792580	940172121	/nfs/dbraw/zinc/17/21/21/940172121.db2.gz	LENGEXKSLNKRHL-CWRNSKLLSA-N	1	0	359.474	1.690	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@]34C[C@H]3CCCC4)n2)O1	ZINC001130807284	940182692	/nfs/dbraw/zinc/18/26/92/940182692.db2.gz	WBBXADOAVSBNQO-UIVXKWKOSA-N	1	0	371.485	1.834	20	30		FDEDRO
C=CCC(C)(C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC#CC)O2)n[nH]1	ZINC001130809017	940185606	/nfs/dbraw/zinc/18/56/06/940185606.db2.gz	CDKMAIZXHYEMKG-LSDHHAIUSA-N	1	0	359.474	1.856	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(C(C)C)CC3)n2)O1	ZINC001130809218	940186222	/nfs/dbraw/zinc/18/62/22/940186222.db2.gz	MPRWPCOEAIJIIH-LSDHHAIUSA-N	1	0	359.474	1.690	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1	ZINC001130802099	940195980	/nfs/dbraw/zinc/19/59/80/940195980.db2.gz	BVYSMYRXJPXKGN-AHIWAGSCSA-N	1	0	353.442	1.802	20	30		FDEDRO
C=CCO[C@H](C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCC)O2)n[nH]1	ZINC001130821782	940202781	/nfs/dbraw/zinc/20/27/81/940202781.db2.gz	CXKQYXNLJYGODV-QLFBSQMISA-N	1	0	365.478	1.622	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C)cc(F)c3)n2)O1	ZINC001130811634	940204558	/nfs/dbraw/zinc/20/45/58/940204558.db2.gz	BCNKIQWMYCLIDD-JKSUJKDBSA-N	1	0	371.416	1.625	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(C)CC(F)(F)C3)n2)O1	ZINC001130815883	940216466	/nfs/dbraw/zinc/21/64/66/940216466.db2.gz	DZLLLAFFDFUGFU-NWDGAFQWSA-N	1	0	367.400	1.299	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3oncc3C)n2)O1	ZINC001130815799	940216722	/nfs/dbraw/zinc/21/67/22/940216722.db2.gz	AHHZBLDLZHSWKH-QWHCGFSZSA-N	1	0	360.418	1.417	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc4c([nH]3)CCC4)n2)O1	ZINC001130816353	940218432	/nfs/dbraw/zinc/21/84/32/940218432.db2.gz	SHADVSXWIGPIAW-XJKSGUPXSA-N	1	0	370.457	1.547	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)CCOC)n2)O1	ZINC001130817769	940223604	/nfs/dbraw/zinc/22/36/04/940223604.db2.gz	ZEDCZWYJFKQAIP-HZSPNIEDSA-N	1	0	351.451	1.089	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3[nH]cnc3C)n2)O1	ZINC001130819644	940226144	/nfs/dbraw/zinc/22/61/44/940226144.db2.gz	BDCFGHUFEYHUEC-QWHCGFSZSA-N	1	0	359.434	1.152	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccccn2)C[C@H]1c1cncn1C	ZINC001130884008	940280505	/nfs/dbraw/zinc/28/05/05/940280505.db2.gz	DFZGAUSFCMLMLM-NVXWUHKLSA-N	1	0	355.442	1.216	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccsc2)C[C@H]1c1cncn1C	ZINC001130903177	940312243	/nfs/dbraw/zinc/31/22/43/940312243.db2.gz	XZGACAVMZHHZQN-HZPDHXFCSA-N	1	0	360.483	1.882	20	30		FDEDRO
C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1	ZINC000807335314	940323816	/nfs/dbraw/zinc/32/38/16/940323816.db2.gz	AZYRFGAPSFPXID-KRWDZBQOSA-N	1	0	373.416	1.957	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@H](C)C(=O)NCCC)C1	ZINC001130935766	940332125	/nfs/dbraw/zinc/33/21/25/940332125.db2.gz	KIWCMWLSNDAFRS-BZUAXINKSA-N	1	0	361.490	1.185	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1c1cncn1C	ZINC001130931253	940340647	/nfs/dbraw/zinc/34/06/47/940340647.db2.gz	SSLMHKCEGWTSTC-IAGOWNOFSA-N	1	0	356.474	1.247	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccccc2)C1	ZINC001130945780	940356741	/nfs/dbraw/zinc/35/67/41/940356741.db2.gz	BAZOGKIYJWZBMS-QZTJIDSGSA-N	1	0	354.454	1.707	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@H](C)COC)C1	ZINC001130946108	940357159	/nfs/dbraw/zinc/35/71/59/940357159.db2.gz	KCAVWXHGIQTCGM-BRWVUGGUSA-N	1	0	364.490	1.322	20	30		FDEDRO
CC[C@H](C)C[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1c1cncn1C	ZINC001130951968	940371442	/nfs/dbraw/zinc/37/14/42/940371442.db2.gz	YPICVBNAHGJWCI-YSVLISHTSA-N	1	0	354.458	1.864	20	30		FDEDRO
CC(C)=CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1c1cncn1C	ZINC001130968570	940376264	/nfs/dbraw/zinc/37/62/64/940376264.db2.gz	FAICEWAZGUKUJU-IAGOWNOFSA-N	1	0	352.442	1.784	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccnn2CC)C[C@H]1c1cncn1C	ZINC001130971490	940380049	/nfs/dbraw/zinc/38/00/49/940380049.db2.gz	QGMFUHJHHNFCQU-HZPDHXFCSA-N	1	0	356.474	1.801	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn(C3CCC3)c2)C[C@H]1c1cncn1C	ZINC001130991650	940414563	/nfs/dbraw/zinc/41/45/63/940414563.db2.gz	VTAJZSYIHFWCSK-QZTJIDSGSA-N	1	0	366.469	1.563	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)nnc2C)C[C@H]1c1cncn1C	ZINC001131003985	940430369	/nfs/dbraw/zinc/43/03/69/940430369.db2.gz	VZMZVWMQRCKTAQ-IAGOWNOFSA-N	1	0	352.442	1.048	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn(C(C)(C)C)nn2)C[C@H]1c1cncn1C	ZINC001131006182	940432654	/nfs/dbraw/zinc/43/26/54/940432654.db2.gz	PCXKJEACTRONGO-HUUCEWRRSA-N	1	0	371.489	1.541	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH]ccc-3n2)C[C@H]1c1cncn1C	ZINC001131017633	940438194	/nfs/dbraw/zinc/43/81/94/940438194.db2.gz	DJBXSYMYTMDHEI-CRAIPNDOSA-N	1	0	362.437	1.518	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCO1	ZINC000807669555	940439602	/nfs/dbraw/zinc/43/96/02/940439602.db2.gz	YUKASSIIXQRETL-ROUUACIJSA-N	1	0	361.486	1.197	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2[nH]ccc2C2CC2)C[C@H]1c1cncn1C	ZINC001131010402	940441202	/nfs/dbraw/zinc/44/12/02/940441202.db2.gz	LCRMOWICXNFXBQ-IAGOWNOFSA-N	1	0	351.454	1.847	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2snnc2C2CC2)C[C@H]1c1cncn1C	ZINC001131012105	940443727	/nfs/dbraw/zinc/44/37/27/940443727.db2.gz	BJCGTQORYGKYPR-ZIAGYGMSSA-N	1	0	370.482	1.370	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2cncs2)C[C@H]1c1cncn1C	ZINC001131012878	940444514	/nfs/dbraw/zinc/44/45/14/940444514.db2.gz	QAVWYYSGBWKSAI-HZPDHXFCSA-N	1	0	359.499	1.970	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(Cl)cn2C)C[C@H]1c1cncn1C	ZINC001131026157	940459689	/nfs/dbraw/zinc/45/96/89/940459689.db2.gz	XXLQHXHXDHVUIG-HUUCEWRRSA-N	1	0	359.861	1.633	20	30		FDEDRO
C[C@H](CCNC(=O)C(=O)NCc1cc(C#N)ccc1F)[NH+]1CCCCC1	ZINC000807699235	940461482	/nfs/dbraw/zinc/46/14/82/940461482.db2.gz	LFJKDNLLFMSWIU-CQSZACIVSA-N	1	0	360.433	1.694	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ncc(OC)cn2)C[C@H]1c1cncn1C	ZINC001131029016	940464063	/nfs/dbraw/zinc/46/40/63/940464063.db2.gz	WLZPCGAXJAGMNG-HZPDHXFCSA-N	1	0	370.457	1.383	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(CC)nnc2C)C[C@H]1c1cncn1C	ZINC001131035513	940464902	/nfs/dbraw/zinc/46/49/02/940464902.db2.gz	DIRBXIWJFCSJAQ-QZTJIDSGSA-N	1	0	368.485	1.855	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(CC)nnc2C)C[C@H]1c1cncn1C	ZINC001131035848	940465177	/nfs/dbraw/zinc/46/51/77/940465177.db2.gz	PWPXRVSKQSANTQ-QZTJIDSGSA-N	1	0	366.469	1.302	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(OCC)no2)C[C@H]1c1cncn1C	ZINC001131032950	940470060	/nfs/dbraw/zinc/47/00/60/940470060.db2.gz	BMLLTAKFKJTEJC-ZIAGYGMSSA-N	1	0	357.414	1.028	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CCOC)C1	ZINC001131051434	940471234	/nfs/dbraw/zinc/47/12/34/940471234.db2.gz	KZGUZAXLGXFETN-QZTJIDSGSA-N	1	0	356.470	1.148	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2conc2C)C1	ZINC001131051465	940472416	/nfs/dbraw/zinc/47/24/16/940472416.db2.gz	MEHCXRXEOHYUCD-QZTJIDSGSA-N	1	0	369.469	1.994	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cccnc2OC)C[C@H]1c1cncn1C	ZINC001131060145	940478938	/nfs/dbraw/zinc/47/89/38/940478938.db2.gz	WJWDBVDWJJISPS-IAGOWNOFSA-N	1	0	369.469	1.988	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOC(C)C)C1	ZINC001131051667	940480166	/nfs/dbraw/zinc/48/01/66/940480166.db2.gz	SSZWKOWOHIPGLJ-QZTJIDSGSA-N	1	0	360.502	1.923	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2cc(C)on2)C[C@H]1c1cncn1C	ZINC001131070134	940484295	/nfs/dbraw/zinc/48/42/95/940484295.db2.gz	HHPXDDUMHZMNFR-IAGOWNOFSA-N	1	0	355.442	1.257	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1	ZINC001131064266	940486426	/nfs/dbraw/zinc/48/64/26/940486426.db2.gz	DPCSYMMFDKPXFZ-BZUAXINKSA-N	1	0	361.490	1.137	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2cccnc2)C[C@H]1c1cncn1C	ZINC001131084027	940489168	/nfs/dbraw/zinc/48/91/68/940489168.db2.gz	JNZMDXWFZKVRJF-BHIYHBOVSA-N	1	0	365.481	1.916	20	30		FDEDRO
COc1ccc(CNC(=O)NCCN2CCC([NH+](C)C)CC2)cc1C#N	ZINC000747431654	940490742	/nfs/dbraw/zinc/49/07/42/940490742.db2.gz	KMVYHWMGCPVLOE-UHFFFAOYSA-N	1	0	359.474	1.392	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccco2)C[C@H]1c1cncn1C	ZINC001131075991	940491184	/nfs/dbraw/zinc/49/11/84/940491184.db2.gz	CYMIJQIDQYRITQ-QBPKDAKJSA-N	1	0	352.438	1.724	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2c(C)noc2C)C[C@H]1c1cncn1C	ZINC001131089644	940494859	/nfs/dbraw/zinc/49/48/59/940494859.db2.gz	RNEOYIKGDKWWNR-IAOVAPTHSA-N	1	0	369.469	1.736	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(OC)c2)C[C@H]1c1cncn1C	ZINC001131113145	940499188	/nfs/dbraw/zinc/49/91/88/940499188.db2.gz	VJOCGUYDLJUZOB-QZTJIDSGSA-N	1	0	352.438	1.650	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2oc(CCC)nc2C)C[C@H]1c1cncn1C	ZINC001131105563	940501481	/nfs/dbraw/zinc/50/14/81/940501481.db2.gz	ATYYZNJXWAXWIT-HZPDHXFCSA-N	1	0	369.469	1.890	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1c1cncn1C	ZINC001131105655	940501495	/nfs/dbraw/zinc/50/14/95/940501495.db2.gz	DAZCTOQLIHNZMQ-RBSFLKMASA-N	1	0	357.462	1.020	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2ccccc2)C[C@H]1c1cncn1C	ZINC001131117579	940504272	/nfs/dbraw/zinc/50/42/72/940504272.db2.gz	FOCJIFSSHRGIGT-QXAKKESOSA-N	1	0	366.465	1.795	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COCc2ccccc2)C[C@H]1c1cncn1C	ZINC001131123758	940507194	/nfs/dbraw/zinc/50/71/94/940507194.db2.gz	SJHSEDMVCSGPRC-QZTJIDSGSA-N	1	0	352.438	1.154	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCOc2cccc(C)c2)C[C@H]1c1cncn1C	ZINC001131123958	940507228	/nfs/dbraw/zinc/50/72/28/940507228.db2.gz	VUAFQHSFQJNMGC-RTBURBONSA-N	1	0	366.465	1.715	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CNC(=O)[C@@H](C)CC)C[C@H]1c1cncn1C	ZINC001131126131	940507977	/nfs/dbraw/zinc/50/79/77/940507977.db2.gz	SKWZRCIRAWQPQH-ARFHVFGLSA-N	1	0	361.490	1.043	20	30		FDEDRO
C=CC[C@@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1)c1ccccc1	ZINC001131126212	940508041	/nfs/dbraw/zinc/50/80/41/940508041.db2.gz	WKPLGPSEUNKHOR-GUDVDZBRSA-N	1	0	368.481	1.656	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2cscn2)C[C@H]1c1cncn1C	ZINC001131130328	940510961	/nfs/dbraw/zinc/51/09/61/940510961.db2.gz	GVLJOIZZNOINFZ-HZPDHXFCSA-N	1	0	359.499	1.970	20	30		FDEDRO
C[NH+](C)CCOc1ccc(/C=C\C(=O)NC2CCN(CC#N)CC2)cc1	ZINC000808380731	940543624	/nfs/dbraw/zinc/54/36/24/940543624.db2.gz	JPCOTUODHWSWDY-YVMONPNESA-N	1	0	356.470	1.744	20	30		FDEDRO
C=CCCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CCCCOC)C[C@H]32)C1	ZINC001131304560	940547972	/nfs/dbraw/zinc/54/79/72/940547972.db2.gz	NPUHRSGULDLPPO-ZACQAIPSSA-N	1	0	365.474	1.485	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cocn2)C1	ZINC001131304935	940548266	/nfs/dbraw/zinc/54/82/66/940548266.db2.gz	YBKWBEIENMQZJZ-BMFZPTHFSA-N	1	0	360.414	1.360	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CCC(C)C)C[C@H]32)C1	ZINC001131307218	940549071	/nfs/dbraw/zinc/54/90/71/940549071.db2.gz	MOOHKHKCZFDUHW-KURKYZTESA-N	1	0	361.486	1.942	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C#CC(C)C)C1	ZINC001131307435	940549201	/nfs/dbraw/zinc/54/92/01/940549201.db2.gz	SXVCXPDZSVNNEI-KSZLIROESA-N	1	0	359.470	1.718	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCC(F)F)C1	ZINC001131310571	940550350	/nfs/dbraw/zinc/55/03/50/940550350.db2.gz	WHXULVWCJKDRPD-MCIONIFRSA-N	1	0	357.401	1.714	20	30		FDEDRO
CN1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1	ZINC001086665079	940552438	/nfs/dbraw/zinc/55/24/38/940552438.db2.gz	PNBAVVGREAIULG-OTWHNJEPSA-N	1	0	356.470	1.263	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2CCOCC2)CC1	ZINC001131404362	940564549	/nfs/dbraw/zinc/56/45/49/940564549.db2.gz	MYSLYLLPVGWAFS-MOPGFXCFSA-N	1	0	366.502	1.601	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)SC)CC1	ZINC001131429424	940567324	/nfs/dbraw/zinc/56/73/24/940567324.db2.gz	DYWSVSFZXLKIKI-LXZKKBNFSA-N	1	0	369.531	1.026	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(N)=O)CC1	ZINC001131416300	940567584	/nfs/dbraw/zinc/56/75/84/940567584.db2.gz	BJUFBBYQDXVAJT-AEFFLSMTSA-N	1	0	366.506	1.387	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC(F)(F)F)CC1	ZINC001131439792	940589349	/nfs/dbraw/zinc/58/93/49/940589349.db2.gz	TWVOLGOFXSBDMK-ZBFHGGJFSA-N	1	0	362.392	1.574	20	30		FDEDRO
CCO[C@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC#CCOC)CC1	ZINC001131434099	940597793	/nfs/dbraw/zinc/59/77/93/940597793.db2.gz	QJCHOTIOOAXRNK-NXHRZFHOSA-N	1	0	352.475	1.047	20	30		FDEDRO
Cn1cc(Cl)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n1	ZINC001086669208	940598329	/nfs/dbraw/zinc/59/83/29/940598329.db2.gz	TYZUIBDFIVKHML-WCQYABFASA-N	1	0	360.849	1.962	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCOCC)CC1	ZINC001131451485	940605517	/nfs/dbraw/zinc/60/55/17/940605517.db2.gz	MTJDKQCKBZWVCN-MJGOQNOKSA-N	1	0	354.491	1.601	20	30		FDEDRO
C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC[C@@H]2CCOC2)CC1	ZINC001131461125	940615759	/nfs/dbraw/zinc/61/57/59/940615759.db2.gz	FTYNVSACODYVJM-POAQFYNOSA-N	1	0	366.502	1.601	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2nnn(C)c2C)CC1	ZINC001131461122	940615786	/nfs/dbraw/zinc/61/57/86/940615786.db2.gz	FNGDLVFIQPOOBL-AEFFLSMTSA-N	1	0	361.490	1.689	20	30		FDEDRO
C=CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N(C)CC)CC1	ZINC001131445271	940616532	/nfs/dbraw/zinc/61/65/32/940616532.db2.gz	QHYJVDOYGBPDSB-APWZRJJASA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)/C(C)=C/C)CC1	ZINC001131467678	940624004	/nfs/dbraw/zinc/62/40/04/940624004.db2.gz	KVWNFFIMSZQCAB-IALVRATHSA-N	1	0	363.502	1.629	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[C@@H]2C(F)F)CC1	ZINC001131488066	940632486	/nfs/dbraw/zinc/63/24/86/940632486.db2.gz	VRVNJOZSZRCNAJ-NXOAAHMSSA-N	1	0	370.440	1.523	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCCOC)CC1	ZINC001131482893	940638375	/nfs/dbraw/zinc/63/83/75/940638375.db2.gz	DGZVACSZICGCHL-HOJAQTOUSA-N	1	0	368.518	1.726	20	30		FDEDRO
C=CCCOCCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1	ZINC001131496148	940647556	/nfs/dbraw/zinc/64/75/56/940647556.db2.gz	QUPKXIPGZPFPIY-QUCCMNQESA-N	1	0	368.518	1.727	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2nn(C)cc2Cl)CC1	ZINC001131503116	940653474	/nfs/dbraw/zinc/65/34/74/940653474.db2.gz	SCYRVGORPIYBQW-WBVHZDCISA-N	1	0	364.877	1.696	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCCOC)CC1	ZINC001131503146	940653561	/nfs/dbraw/zinc/65/35/61/940653561.db2.gz	UGOVDQNZBLRSEB-QRQLOZEOSA-N	1	0	366.502	1.437	20	30		FDEDRO
C=C(C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cnnn2C)CC1	ZINC001131510518	940659886	/nfs/dbraw/zinc/65/98/86/940659886.db2.gz	NPBLMJQIUVHTJU-MJGOQNOKSA-N	1	0	361.490	1.657	20	30		FDEDRO
C=C(C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H](O)COC)CC1	ZINC001131506496	940668457	/nfs/dbraw/zinc/66/84/57/940668457.db2.gz	BFDVCCHTAFJVAW-SCTDSRPQSA-N	1	0	354.491	1.336	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC#CC)CC1	ZINC001131515276	940679917	/nfs/dbraw/zinc/67/99/17/940679917.db2.gz	BCECFWVLHINADC-AABGKKOBSA-N	1	0	357.498	1.093	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc3n(n2)CCC3)CC1	ZINC001131511883	940693723	/nfs/dbraw/zinc/69/37/23/940693723.db2.gz	AOMIAFKVGCNXSD-MJGOQNOKSA-N	1	0	356.470	1.452	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc3c([nH]2)CCOC3)CC1	ZINC001131512353	940695226	/nfs/dbraw/zinc/69/52/26/940695226.db2.gz	ZURHLZXPBCWVDE-QUCCMNQESA-N	1	0	371.481	1.710	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@]2(C)CNC(=O)C2)CC1	ZINC001131533409	940703893	/nfs/dbraw/zinc/70/38/93/940703893.db2.gz	CABYKNMAKJRIME-KPFFTGBYSA-N	1	0	363.502	1.465	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2Cc3ccccc3O2)CC1	ZINC001131526488	940711433	/nfs/dbraw/zinc/71/14/33/940711433.db2.gz	VXAQTULNRYFUMK-NRSPTQNISA-N	1	0	368.477	1.999	20	30		FDEDRO
CC#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](CC)C(N)=O)CC1	ZINC001131546247	940722392	/nfs/dbraw/zinc/72/23/92/940722392.db2.gz	SCNJSUMVXJJCNK-SCTDSRPQSA-N	1	0	363.502	1.430	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(C)CC=CC2)CC1	ZINC001131559665	940733778	/nfs/dbraw/zinc/73/37/78/940733778.db2.gz	CCEVNDKRKLPQNR-MOPGFXCFSA-N	1	0	360.498	1.978	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccc(=O)n2C)CC1	ZINC001131559731	940733830	/nfs/dbraw/zinc/73/38/30/940733830.db2.gz	FPKQZSIMLMMBSK-APWZRJJASA-N	1	0	357.454	1.008	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2cccnc2C)CC1	ZINC001131562123	940736082	/nfs/dbraw/zinc/73/60/82/940736082.db2.gz	LCDWZMBEFMPEIF-CTNGQTDRSA-N	1	0	355.482	1.942	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2CC3(CC3)C2)CC1	ZINC001131562129	940736084	/nfs/dbraw/zinc/73/60/84/940736084.db2.gz	LSDZEJZESQWWJU-MOPGFXCFSA-N	1	0	360.498	1.812	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@]2(C)C=CCC2)CC1	ZINC001131550278	940738900	/nfs/dbraw/zinc/73/89/00/940738900.db2.gz	RDBPCXSMEXXDDV-SVFBPWRDSA-N	1	0	360.498	1.978	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(CF)CCC2)CC1	ZINC001131567978	940743288	/nfs/dbraw/zinc/74/32/88/940743288.db2.gz	UGCMJQXKESXGBT-MSOLQXFVSA-N	1	0	366.477	1.762	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC23CC3)CC1	ZINC001131570886	940746679	/nfs/dbraw/zinc/74/66/79/940746679.db2.gz	RVWJINCCQMOBPA-JZXOWHBKSA-N	1	0	361.486	1.074	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](CC)NC(C)=O)CC1	ZINC001131570687	940746706	/nfs/dbraw/zinc/74/67/06/940746706.db2.gz	NZDYPOVHKHXYRQ-ZACQAIPSSA-N	1	0	371.909	1.639	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH]cn2)CC1	ZINC001131578194	940755009	/nfs/dbraw/zinc/75/50/09/940755009.db2.gz	MEQSKVHJYJJIDZ-LZQZEXGQSA-N	1	0	358.486	1.597	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH]cn2)CC1	ZINC001131578215	940755217	/nfs/dbraw/zinc/75/52/17/940755217.db2.gz	MOSRPXJBXYDGDX-IPELMVKDSA-N	1	0	358.486	1.597	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2ncccn2)CC1	ZINC001131583158	940769300	/nfs/dbraw/zinc/76/93/00/940769300.db2.gz	SGIGESVPSCLSLZ-XLIONFOSSA-N	1	0	356.470	1.418	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(CC)nn2C)CC1	ZINC001131583005	940769501	/nfs/dbraw/zinc/76/95/01/940769501.db2.gz	KTKULOSWLWOFQI-MJGOQNOKSA-N	1	0	358.486	1.605	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)OCCOCC)CC1	ZINC001131606907	940772903	/nfs/dbraw/zinc/77/29/03/940772903.db2.gz	MGSKVUKLVJJANX-UHOSZYNNSA-N	1	0	368.518	1.990	20	30		FDEDRO
N#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1	ZINC001131604755	940773904	/nfs/dbraw/zinc/77/39/04/940773904.db2.gz	FQACFHTVNFEDHF-QUCCMNQESA-N	1	0	362.518	1.762	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccn(C)c2=O)CC1	ZINC001131594945	940777545	/nfs/dbraw/zinc/77/75/45/940777545.db2.gz	JFFICTXNRLZNHS-MSOLQXFVSA-N	1	0	359.470	1.561	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCC(=O)NCC)CC1	ZINC001131595207	940778019	/nfs/dbraw/zinc/77/80/19/940778019.db2.gz	RWEOTKRJOYTPCF-XLIONFOSSA-N	1	0	365.518	1.855	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)c2ccccc2)CC1	ZINC001131597043	940780483	/nfs/dbraw/zinc/78/04/83/940780483.db2.gz	INWUNPSWGUBWKQ-QUCCMNQESA-N	1	0	369.465	1.035	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](NC(C)=O)[C@@H](C)CC)CC1	ZINC001131606788	940784006	/nfs/dbraw/zinc/78/40/06/940784006.db2.gz	GKSSNHISEISLAL-VLQPXKRTSA-N	1	0	363.502	1.156	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCCC(=O)NC)CC1	ZINC001131608835	940788663	/nfs/dbraw/zinc/78/86/63/940788663.db2.gz	QCULJVUQKJPWKK-XLIONFOSSA-N	1	0	363.502	1.302	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1)[C@H]1CCCO1	ZINC000809304387	940809374	/nfs/dbraw/zinc/80/93/74/940809374.db2.gz	JCERETWDYPUJCN-QZTJIDSGSA-N	1	0	361.486	1.008	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)[C@@H]1CCCO1	ZINC000809305340	940810164	/nfs/dbraw/zinc/81/01/64/940810164.db2.gz	BOQQADXOBMZQQD-OALUTQOASA-N	1	0	369.465	1.018	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1ccc(OC)c(C#N)c1	ZINC000809501450	940844431	/nfs/dbraw/zinc/84/44/31/940844431.db2.gz	JSZNRDJZQPHBGU-SJORKVTESA-N	1	0	370.453	1.268	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1C#N	ZINC000809504703	940846873	/nfs/dbraw/zinc/84/68/73/940846873.db2.gz	RDAGFGONROANDD-CQSZACIVSA-N	1	0	372.469	1.372	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@@H](c3ccccc3)OC2=O)c1C#N	ZINC000809579368	940859082	/nfs/dbraw/zinc/85/90/82/940859082.db2.gz	BOXXWCZRBMVKOH-CJNGLKHVSA-N	1	0	367.409	1.676	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@H]3CCNC(=O)CC3)C2)c[nH]1	ZINC001086676543	940948773	/nfs/dbraw/zinc/94/87/73/940948773.db2.gz	IRDIZRIENFYYQD-IJEWVQPXSA-N	1	0	357.458	1.291	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3coc(CC)n3)C2)C1=O	ZINC001086678264	940966885	/nfs/dbraw/zinc/96/68/85/940966885.db2.gz	JQUVVRDCMQNLOA-RRFJBIMHSA-N	1	0	360.458	1.512	20	30		FDEDRO
Cn1ncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)c1N	ZINC001086679291	941015023	/nfs/dbraw/zinc/01/50/23/941015023.db2.gz	KBPZSYRBABCZEU-JKSUJKDBSA-N	1	0	352.442	1.562	20	30		FDEDRO
Cn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)nn1	ZINC001086687447	941076784	/nfs/dbraw/zinc/07/67/84/941076784.db2.gz	SMMQQCRTVSLTIF-SWLSCSKDSA-N	1	0	356.405	1.514	20	30		FDEDRO
C[N@H+](CCC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O)C1CCCCC1	ZINC001090505094	941118516	/nfs/dbraw/zinc/11/85/16/941118516.db2.gz	KCNFCLNHIFLEGV-RTBURBONSA-N	1	0	371.485	1.274	20	30		FDEDRO
C[C@@H]1C(N=Nc2ccc(S(N)(=O)=O)cn2)CC[N@@H+]1Cc1ccccc1	ZINC000811638590	941147646	/nfs/dbraw/zinc/14/76/46/941147646.db2.gz	RVGWAQOZYXADGN-CYBMUJFWSA-N	1	0	359.455	1.791	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1	ZINC000747818270	941273400	/nfs/dbraw/zinc/27/34/00/941273400.db2.gz	LKEVAVAHFQWHRB-BQIYRTECSA-N	1	0	372.513	1.767	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)N[C@H]2CCOc3ccccc32)CC1	ZINC000747818370	941273412	/nfs/dbraw/zinc/27/34/12/941273412.db2.gz	NHQPVNWIFVAVBH-QAPCUYQASA-N	1	0	369.465	1.476	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(=O)NCCCSc2ccccc2)CC1	ZINC000747820130	941274734	/nfs/dbraw/zinc/27/47/34/941274734.db2.gz	KHXQDUYFGIRVRH-UHFFFAOYSA-N	1	0	373.522	1.746	20	30		FDEDRO
C#C[C@@H](NC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(F)cc1	ZINC000812893198	941293412	/nfs/dbraw/zinc/29/34/12/941293412.db2.gz	QIDZNRUAEZQLGD-MSOLQXFVSA-N	1	0	374.460	1.742	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccc(F)cc2)C[C@H]1O	ZINC001195254538	970796427	/nfs/dbraw/zinc/79/64/27/970796427.db2.gz	DCOAKWWHSQHFSZ-KZNAEPCWSA-N	1	0	364.461	1.493	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]Cc1cc2c(cc1Cl)OCCO2	ZINC001134053313	941529945	/nfs/dbraw/zinc/52/99/45/941529945.db2.gz	RUQMUKKLIIHPLM-HIFRSBDPSA-N	1	0	366.845	1.908	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1	ZINC001134052742	941539493	/nfs/dbraw/zinc/53/94/93/941539493.db2.gz	ARBBVIBXCDWZKC-XKQJLSEDSA-N	1	0	361.442	1.319	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)COc1ccc(C)cc1C	ZINC001134062107	941540962	/nfs/dbraw/zinc/54/09/62/941540962.db2.gz	RPUMESUVXCPCTN-KSZLIROESA-N	1	0	362.470	1.340	20	30		FDEDRO
Cn1cc([C@@H]2C[C@H]2C(=O)NCC[NH2+]CC#Cc2ccccc2Cl)cn1	ZINC001134120923	941572372	/nfs/dbraw/zinc/57/23/72/941572372.db2.gz	KACDGOYTSHNVIY-DLBZAZTESA-N	1	0	356.857	1.935	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnnn2CCC)C1	ZINC001086718261	941581999	/nfs/dbraw/zinc/58/19/99/941581999.db2.gz	PALQPKGGBCGPIE-JKSUJKDBSA-N	1	0	371.489	1.759	20	30		FDEDRO
COC(=O)[C@@H](NCC(=O)NCC[NH+]1CCCCCC1)c1ccc(C#N)cc1	ZINC000814248623	941601311	/nfs/dbraw/zinc/60/13/11/941601311.db2.gz	YOWHTRNAXBTFIL-IBGZPJMESA-N	1	0	372.469	1.354	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)cn2)C1	ZINC001086720563	941624548	/nfs/dbraw/zinc/62/45/48/941624548.db2.gz	CDUGSFSGROGXEZ-WDYCEAGBSA-N	1	0	358.461	1.693	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnc(C)cn2)C1	ZINC001086721343	941646052	/nfs/dbraw/zinc/64/60/52/941646052.db2.gz	UDNZZSKMVMTQOV-SCTDSRPQSA-N	1	0	355.486	1.257	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@H](O)COCc2cccc(OC)c2)CC1	ZINC000747969172	941707462	/nfs/dbraw/zinc/70/74/62/941707462.db2.gz	UIXDJFQTUJSKNH-SFHVURJKSA-N	1	0	360.454	1.034	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)CC1	ZINC000747978386	941724448	/nfs/dbraw/zinc/72/44/48/941724448.db2.gz	IAFQPFOSTZFUKU-UHFFFAOYSA-N	1	0	372.469	1.620	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC1	ZINC000747980537	941727047	/nfs/dbraw/zinc/72/70/47/941727047.db2.gz	ZQWHWNIZGALIST-IBGZPJMESA-N	1	0	370.497	1.330	20	30		FDEDRO
COCC(=NNC(=S)NCCC[NH+](C)C)c1cccc([N+](=O)[O-])c1	ZINC000814845750	941730260	/nfs/dbraw/zinc/73/02/60/941730260.db2.gz	UTZQDTXIIAPFED-UHFFFAOYSA-N	1	0	353.448	1.361	20	30		FDEDRO
C#CCCCCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@H]1O	ZINC001195302104	970834550	/nfs/dbraw/zinc/83/45/50/970834550.db2.gz	ZVSCYQSCMQLUNZ-CEXWTWQISA-N	1	0	350.503	1.673	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)N(C)Cc1c(F)cccc1Cl	ZINC000815082196	941777834	/nfs/dbraw/zinc/77/78/34/941777834.db2.gz	DOMRJNKWDRMOSB-UHFFFAOYSA-N	1	0	361.870	1.700	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(C)ccc1Br	ZINC000815082146	941777879	/nfs/dbraw/zinc/77/78/79/941777879.db2.gz	BGIVDPLPIXHXIR-UHFFFAOYSA-N	1	0	359.289	1.991	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C(=O)NC)cc1	ZINC001135058663	941874641	/nfs/dbraw/zinc/87/46/41/941874641.db2.gz	YIFDIJAPYDYTAF-ROUUACIJSA-N	1	0	359.470	1.623	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cnc[nH]c2=O)C1	ZINC001086728069	941889878	/nfs/dbraw/zinc/88/98/78/941889878.db2.gz	KYNFUWRZYUCEHR-BLLLJJGKSA-N	1	0	369.400	1.881	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1	ZINC000815591468	941913479	/nfs/dbraw/zinc/91/34/79/941913479.db2.gz	IGGWLVPPICJNAS-LJQANCHMSA-N	1	0	356.470	1.997	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)Nc1nccs1	ZINC001135148002	941935037	/nfs/dbraw/zinc/93/50/37/941935037.db2.gz	XWBVGXBEGAIJKN-AVGNSLFASA-N	1	0	352.460	1.157	20	30		FDEDRO
C=CCOc1ccccc1C(=O)NC[C@H]1CC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1	ZINC001086735970	942105553	/nfs/dbraw/zinc/10/55/53/942105553.db2.gz	VTTDNYAAGYVAFO-LZLYRXPVSA-N	1	0	371.481	1.970	20	30		FDEDRO
C=CC[C@@H](CO)[NH2+]C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1	ZINC000816569461	942264393	/nfs/dbraw/zinc/26/43/93/942264393.db2.gz	MVBBAJGYNQXDPU-GJZGRUSLSA-N	1	0	355.479	1.276	20	30		FDEDRO
CCCC[C@H](ON=C(C)C)C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1	ZINC000816609624	942275615	/nfs/dbraw/zinc/27/56/15/942275615.db2.gz	HRDFLRVMIZMKJC-IRXDYDNUSA-N	1	0	366.506	1.769	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1	ZINC001086763071	942407786	/nfs/dbraw/zinc/40/77/86/942407786.db2.gz	QLVWALMOYHUGOA-NWDGAFQWSA-N	1	0	369.263	1.177	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3csc(=O)[nH]3)C2)C1=O	ZINC001086782467	942487967	/nfs/dbraw/zinc/48/79/67/942487967.db2.gz	BFBGIEPTIMYFDB-YNEHKIRRSA-N	1	0	364.471	1.124	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(F)ccc1OC(F)F	ZINC000817140586	942576654	/nfs/dbraw/zinc/57/66/54/942576654.db2.gz	BPTIYQSCGQOZEG-UHFFFAOYSA-N	1	0	350.362	1.661	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H]3CCCN(C)C3=O)C2)c1	ZINC001086798353	942634581	/nfs/dbraw/zinc/63/45/81/942634581.db2.gz	IYWJPNQHWYLDGE-JQHSSLGASA-N	1	0	354.454	1.172	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@H]3CCNC(=O)CC3)C2)c1	ZINC001086798576	942636107	/nfs/dbraw/zinc/63/61/07/942636107.db2.gz	VJQYIAFVWWQDIL-ZIFCJYIRSA-N	1	0	368.481	1.467	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnnn2C(C)C)C1	ZINC001086806312	942803640	/nfs/dbraw/zinc/80/36/40/942803640.db2.gz	MWACZUVUWXXJIR-JJXSEGSLSA-N	1	0	362.478	1.220	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnc(OC)nc2C)C1	ZINC001086806516	942805421	/nfs/dbraw/zinc/80/54/21/942805421.db2.gz	YKFCWGKWEGYZJJ-HPBDAGMYSA-N	1	0	374.485	1.759	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C)[nH]c3C)C2)C1=O	ZINC001086815630	943069368	/nfs/dbraw/zinc/06/93/68/943069368.db2.gz	COFQWBJWEOUTOJ-JZXOWHBKSA-N	1	0	358.486	1.907	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@]2(C)CCC[NH2+]2)c1	ZINC000818499111	943256345	/nfs/dbraw/zinc/25/63/45/943256345.db2.gz	JYAUNCKBCFCJLJ-SWEXZPIWSA-N	1	0	364.471	1.580	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1	ZINC000818584246	943294403	/nfs/dbraw/zinc/29/44/03/943294403.db2.gz	JMJGGZVCTYSQKT-ZDUSSCGKSA-N	1	0	365.836	1.903	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(OC)cc1	ZINC000818588991	943297062	/nfs/dbraw/zinc/29/70/62/943297062.db2.gz	MCAZUPUFJKQUNF-IEBWSBKVSA-N	1	0	357.454	1.286	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H](C)c3cnc(C)cn3)C2)nn1	ZINC001086823369	943387302	/nfs/dbraw/zinc/38/73/02/943387302.db2.gz	AJUMEGNSGRGQLT-HRCADAONSA-N	1	0	369.473	1.812	20	30		FDEDRO
C[C@H](CNC(=O)OC(C)(C)C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000819236778	943475572	/nfs/dbraw/zinc/47/55/72/943475572.db2.gz	OCOGADADJCRFLR-CYBMUJFWSA-N	1	0	367.471	1.835	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)cc1	ZINC000819235432	943475746	/nfs/dbraw/zinc/47/57/46/943475746.db2.gz	OQGUCUBASZRLDY-IBGZPJMESA-N	1	0	371.462	1.921	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2COC3(CCOCC3)O2)cc1	ZINC000819216691	943491603	/nfs/dbraw/zinc/49/16/03/943491603.db2.gz	WSHJUEHEQPYHHE-WMZOPIPTSA-N	1	0	362.426	1.004	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+]C[C@@H](O)CO[C@@H]1CCCc2ccccc21	ZINC000819222405	943495074	/nfs/dbraw/zinc/49/50/74/943495074.db2.gz	QLZGTOQDTGCESH-SJLPKXTDSA-N	1	0	353.484	1.632	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[NH2+]CCn2cc(Br)ccc2=O)cc1	ZINC000819339179	943532672	/nfs/dbraw/zinc/53/26/72/943532672.db2.gz	KYRQDOQXWQINAY-OAHLLOKOSA-N	1	0	362.227	1.806	20	30		FDEDRO
CCNS(=O)(=O)c1cccc(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)c1	ZINC000819361842	943555666	/nfs/dbraw/zinc/55/56/66/943555666.db2.gz	UMNLJLGVWRVDOG-SFHVURJKSA-N	1	0	359.451	1.680	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)CNc1ccc(N(C)C2CC[NH+](C)CC2)cc1	ZINC000819418650	943580842	/nfs/dbraw/zinc/58/08/42/943580842.db2.gz	ZYYNVLOSHBOQLN-FQEVSTJZSA-N	1	0	359.518	1.835	20	30		FDEDRO
OCC[NH+]1CCC(=NNC(=S)NCCc2ccc(Cl)cc2)CC1	ZINC000819804893	943747900	/nfs/dbraw/zinc/74/79/00/943747900.db2.gz	KVXFLQYHSMQTFS-UHFFFAOYSA-N	1	0	354.907	1.791	20	30		FDEDRO
O=C(N[C@H]1CCN(O)C1=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F	ZINC000820137251	943910134	/nfs/dbraw/zinc/91/01/34/943910134.db2.gz	LUNGJPBVPCOQBC-KGLIPLIRSA-N	1	0	353.369	1.250	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c1	ZINC000820341487	944009780	/nfs/dbraw/zinc/00/97/80/944009780.db2.gz	DSGCYTQBAKZNER-IBGZPJMESA-N	1	0	360.479	1.651	20	30		FDEDRO
CON=C(C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)c1csc(N)n1	ZINC000820347160	944011777	/nfs/dbraw/zinc/01/17/77/944011777.db2.gz	WXFXDAYCXLBITJ-CQSZACIVSA-N	1	0	373.482	1.809	20	30		FDEDRO
COc1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)ccc1C#N	ZINC000820423184	944052662	/nfs/dbraw/zinc/05/26/62/944052662.db2.gz	QKHRWAFWHPJEHW-UHFFFAOYSA-N	1	0	365.437	1.644	20	30		FDEDRO
C#C[C@@H](NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Br)cc1	ZINC000820615963	944120717	/nfs/dbraw/zinc/12/07/17/944120717.db2.gz	FKSRFIHRZBGDSP-ZBFHGGJFSA-N	1	0	366.259	1.489	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nnn(C)c3C2)C1	ZINC001195615563	971083144	/nfs/dbraw/zinc/08/31/44/971083144.db2.gz	YIYAFCBPYWRRHN-YXJHDRRASA-N	1	0	363.506	1.052	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC000821331153	944422059	/nfs/dbraw/zinc/42/20/59/944422059.db2.gz	IJXVVXOMWKMJHR-MRXNPFEDSA-N	1	0	361.417	1.901	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC000821336224	944426041	/nfs/dbraw/zinc/42/60/41/944426041.db2.gz	UJPJXYSDYYITEZ-MRXNPFEDSA-N	1	0	361.417	1.901	20	30		FDEDRO
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000821861556	944737078	/nfs/dbraw/zinc/73/70/78/944737078.db2.gz	YOZSFMROLWBARX-UHFFFAOYSA-N	1	0	365.409	1.212	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCS(=O)(=O)C1	ZINC000822525128	945027627	/nfs/dbraw/zinc/02/76/27/945027627.db2.gz	KQIPTIURIHOCHG-WBVHZDCISA-N	1	0	367.515	1.225	20	30		FDEDRO
C#CCCOc1ccc(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1	ZINC000823003268	945377053	/nfs/dbraw/zinc/37/70/53/945377053.db2.gz	DPFQUXFYSNFJME-KRWDZBQOSA-N	1	0	357.454	1.406	20	30		FDEDRO
COC(=O)c1nn(-c2ccccc2)cc1OC[C@H](O)CN[C@H](C)CC#N	ZINC001195659104	971143698	/nfs/dbraw/zinc/14/36/98/971143698.db2.gz	IZVNWDWOUYTZCG-UKRRQHHQSA-N	1	0	358.398	1.290	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)s1	ZINC000823160951	945541437	/nfs/dbraw/zinc/54/14/37/945541437.db2.gz	MVEFOFIEAYQXDJ-GXTWGEPZSA-N	1	0	371.528	1.306	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[N@@H+](C)C[C@H]2CC)s1	ZINC000823196900	945557884	/nfs/dbraw/zinc/55/78/84/945557884.db2.gz	CGXIQOVIOGKWRL-CYBMUJFWSA-N	1	0	371.528	1.308	20	30		FDEDRO
C=C[C@@H](CO)NC(=O)c1cccnc1N1CC[N@@H+](C)C[C@H]1c1ccccc1	ZINC001195707449	971174339	/nfs/dbraw/zinc/17/43/39/971174339.db2.gz	BXCKENRVLIKQAY-HKUYNNGSSA-N	1	0	366.465	1.851	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21	ZINC000824667884	946663617	/nfs/dbraw/zinc/66/36/17/946663617.db2.gz	JQJYSFIJNGCKAW-OFQRWUPVSA-N	1	0	356.426	1.469	20	30		FDEDRO
C#CCCCCCC(=O)NCCN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1	ZINC001573281965	946681268	/nfs/dbraw/zinc/68/12/68/946681268.db2.gz	CLLIECWGQBHVCZ-UHFFFAOYSA-N	1	0	355.446	1.706	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573284474	946747141	/nfs/dbraw/zinc/74/71/41/946747141.db2.gz	DLHVQXWNVKBNGM-CQSZACIVSA-N	1	0	370.432	1.747	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573284622	946753472	/nfs/dbraw/zinc/75/34/72/946753472.db2.gz	HXPWFUXOJQIPLZ-KRWDZBQOSA-N	1	0	352.442	1.703	20	30		FDEDRO
C#CCCCC(=O)N(C)[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573284725	946755345	/nfs/dbraw/zinc/75/53/45/946755345.db2.gz	JXTLKABEIYDYOO-CYBMUJFWSA-N	1	0	358.421	1.746	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1	ZINC001090795534	946772365	/nfs/dbraw/zinc/77/23/65/946772365.db2.gz	FCUIBFFMBGYSCZ-GDBMZVCRSA-N	1	0	356.474	1.554	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CCCCNc1nc(Cl)nc(C)c1C(=O)OC	ZINC001171068326	946773243	/nfs/dbraw/zinc/77/32/43/946773243.db2.gz	VZUZHCDLEGAIBH-NSHDSACASA-N	1	0	370.837	1.864	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)Cc3ccccc3)C[C@H]2O)CCC1	ZINC001195897113	971287342	/nfs/dbraw/zinc/28/73/42/971287342.db2.gz	PCYQATDSVHEVEE-IPMKNSEASA-N	1	0	358.482	1.498	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)c1	ZINC001573292553	946935325	/nfs/dbraw/zinc/93/53/25/946935325.db2.gz	XOCFKCFRHKBZCR-SFHVURJKSA-N	1	0	373.420	1.247	20	30		FDEDRO
C=C(Br)C[NH2+][C@H](CC)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573292577	946936065	/nfs/dbraw/zinc/93/60/65/946936065.db2.gz	XZUAKCGPLBBFCV-SNVBAGLBSA-N	1	0	368.239	1.201	20	30		FDEDRO
C[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H]1NC(=O)CCC[NH+](C)C	ZINC001090810005	946936437	/nfs/dbraw/zinc/93/64/37/946936437.db2.gz	QJCVMODCNRQUHO-ZYHUDNBSSA-N	1	0	355.895	1.951	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C(C)(C)C1	ZINC001573560600	946953355	/nfs/dbraw/zinc/95/33/55/946953355.db2.gz	DIMKVUPJVFZZPT-SWLSCSKDSA-N	1	0	353.430	1.353	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573560711	946955354	/nfs/dbraw/zinc/95/53/54/946955354.db2.gz	FOFUQPQRXFJYAA-BXUZGUMPSA-N	1	0	357.393	1.198	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C(C)(C)C1	ZINC001573561505	946963760	/nfs/dbraw/zinc/96/37/60/946963760.db2.gz	LJESPKUQLUFNLH-MFKMUULPSA-N	1	0	359.459	1.414	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C1CC1	ZINC001573562741	946979047	/nfs/dbraw/zinc/97/90/47/946979047.db2.gz	XCLYKXZFAGHFGG-BDJLRTHQSA-N	1	0	371.420	1.492	20	30		FDEDRO
C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1	ZINC001573294843	947000254	/nfs/dbraw/zinc/00/02/54/947000254.db2.gz	IECAVOYDNUHZJJ-UHFFFAOYSA-N	1	0	361.837	1.578	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1	ZINC001573564918	947000453	/nfs/dbraw/zinc/00/04/53/947000453.db2.gz	MVLNGUFNYHONFW-NSHDSACASA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC2(C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC1	ZINC001573565486	947006798	/nfs/dbraw/zinc/00/67/98/947006798.db2.gz	RHYOPBNTKBJURP-AWEZNQCLSA-N	1	0	365.441	1.451	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1	ZINC001573565677	947013898	/nfs/dbraw/zinc/01/38/98/947013898.db2.gz	UDZRTLABYYZWBC-ZBEGNZNMSA-N	1	0	359.459	1.416	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573295378	947017279	/nfs/dbraw/zinc/01/72/79/947017279.db2.gz	PVZNKPALNDMBQT-IRXDYDNUSA-N	1	0	370.457	1.396	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCCCC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573566611	947027728	/nfs/dbraw/zinc/02/77/28/947027728.db2.gz	DSBHZUMIKBEPFU-RHSMWYFYSA-N	1	0	367.457	1.887	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccccc1-c1nn[nH]n1	ZINC001573566722	947030047	/nfs/dbraw/zinc/03/00/47/947030047.db2.gz	GAUJFMDNIOOBGL-UKRRQHHQSA-N	1	0	353.430	1.449	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573566763	947032637	/nfs/dbraw/zinc/03/26/37/947032637.db2.gz	GTLHEZMVUPYLDN-KGLIPLIRSA-N	1	0	353.430	1.355	20	30		FDEDRO
C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1	ZINC001573296166	947040154	/nfs/dbraw/zinc/04/01/54/947040154.db2.gz	ZYPILVHDYDGJBY-UHFFFAOYSA-N	1	0	363.853	1.920	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1	ZINC001573296106	947040665	/nfs/dbraw/zinc/04/06/65/947040665.db2.gz	ZKFXNQSNAAGFAR-NWDGAFQWSA-N	1	0	363.853	1.778	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573567384	947042853	/nfs/dbraw/zinc/04/28/53/947042853.db2.gz	MKCURQPDALHTBE-BXUZGUMPSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1	ZINC001573567588	947047683	/nfs/dbraw/zinc/04/76/83/947047683.db2.gz	PBLZMCQAOOEWIL-AUUYWEPGSA-N	1	0	365.441	1.451	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573296901	947056265	/nfs/dbraw/zinc/05/62/65/947056265.db2.gz	ARIYQQYMTKUGNB-LBPRGKRZSA-N	1	0	351.842	1.681	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573568113	947064683	/nfs/dbraw/zinc/06/46/83/947064683.db2.gz	XYWDEHGHBZYVTA-TZMCWYRMSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1	ZINC001573568126	947068699	/nfs/dbraw/zinc/06/86/99/947068699.db2.gz	YAURYGOCODSJHN-AAEUAGOBSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573570036	947081170	/nfs/dbraw/zinc/08/11/70/947081170.db2.gz	IQOLFFTTZCFRIX-QWRGUYRKSA-N	1	0	357.393	1.102	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(C)(C)C	ZINC001573573009	947117838	/nfs/dbraw/zinc/11/78/38/947117838.db2.gz	KYUCXMSLMSPABN-IUODEOHRSA-N	1	0	355.446	1.647	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1	ZINC001573573640	947123414	/nfs/dbraw/zinc/12/34/14/947123414.db2.gz	ORBQFQYVVGLCKL-JSGCOSHPSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCCCC1	ZINC001573574359	947128963	/nfs/dbraw/zinc/12/89/63/947128963.db2.gz	RKVWZTDPENRLML-LBPRGKRZSA-N	1	0	354.418	1.074	20	30		FDEDRO
C[C@H](C#N)C(=O)NC1CC(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573574449	947130623	/nfs/dbraw/zinc/13/06/23/947130623.db2.gz	RXDRWXSYNIZGCE-CDWSIMAYSA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC1([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCC1	ZINC001573575883	947144924	/nfs/dbraw/zinc/14/49/24/947144924.db2.gz	BKVIPJJDKCGAAG-LLVKDONJSA-N	1	0	357.393	1.294	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573575906	947145119	/nfs/dbraw/zinc/14/51/19/947145119.db2.gz	BPQBIUXCTBWNBJ-IFQILLTASA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573575904	947146003	/nfs/dbraw/zinc/14/60/03/947146003.db2.gz	BPQBIUXCTBWNBJ-CDWSIMAYSA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCCC1	ZINC001573578188	947184689	/nfs/dbraw/zinc/18/46/89/947184689.db2.gz	ZSVOHUSWHSGFMR-LLVKDONJSA-N	1	0	359.459	1.606	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573309544	947203286	/nfs/dbraw/zinc/20/32/86/947203286.db2.gz	KKEILZFDDKIHEM-KDOFPFPSSA-N	1	0	374.420	1.023	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573309726	947208094	/nfs/dbraw/zinc/20/80/94/947208094.db2.gz	NMYBLAJPPBVXRG-VQIMIIECSA-N	1	0	370.457	1.227	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@H](C)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573310396	947224680	/nfs/dbraw/zinc/22/46/80/947224680.db2.gz	XJQYYDGPBOCWTE-BFUOFWGJSA-N	1	0	370.457	1.130	20	30		FDEDRO
C=C[C@H](CC)CC(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C(C)C	ZINC001573315226	947246429	/nfs/dbraw/zinc/24/64/29/947246429.db2.gz	KDZGJURITQKGOF-CZUORRHYSA-N	1	0	357.462	1.839	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1c1ccc(OC)cc1	ZINC001090862495	947276617	/nfs/dbraw/zinc/27/66/17/947276617.db2.gz	JBHZQXLWYAVSBI-RBUKOAKNSA-N	1	0	351.406	1.160	20	30		FDEDRO
C=CCC(CC=C)C(=O)N(C)[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1	ZINC001573318946	947319809	/nfs/dbraw/zinc/31/98/09/947319809.db2.gz	HLYBBVNDSNRIOL-CYBMUJFWSA-N	1	0	355.446	1.711	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1c1ccc(OC)cc1	ZINC001090865248	947346855	/nfs/dbraw/zinc/34/68/55/947346855.db2.gz	ROQAKNZPCAJUGN-RBUKOAKNSA-N	1	0	352.438	1.189	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(OC)no2)C[C@H]1c1ccc(OC)cc1	ZINC001090869427	947385065	/nfs/dbraw/zinc/38/50/65/947385065.db2.gz	ZDEHSEDSJKZXOJ-JKSUJKDBSA-N	1	0	355.394	1.523	20	30		FDEDRO
CC[C@H]([NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1ccc(OC)cc1)C(N)=O	ZINC001090870924	947417238	/nfs/dbraw/zinc/41/72/38/947417238.db2.gz	FXYVFIRORMPLST-GBESFXJTSA-N	1	0	369.465	1.257	20	30		FDEDRO
C=CCCC(=O)N(C)CC(C)(C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1	ZINC001573329531	947421803	/nfs/dbraw/zinc/42/18/03/947421803.db2.gz	KOUPSZUCZKDMKE-UHFFFAOYSA-N	1	0	357.462	1.855	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)S(C)(=O)=O)C[C@H]1c1ccc(OC)cc1	ZINC001090875341	947490178	/nfs/dbraw/zinc/49/01/78/947490178.db2.gz	OUAMNKYSBFGHJZ-XOKHGSTOSA-N	1	0	366.483	1.198	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1c1ccc(OC)cc1	ZINC001090875430	947491237	/nfs/dbraw/zinc/49/12/37/947491237.db2.gz	SVLDUZDISJQNDT-YTQUADARSA-N	1	0	371.481	1.682	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cn2cncc2C)C[C@H]1c1ccc(OC)cc1	ZINC001090875726	947494730	/nfs/dbraw/zinc/49/47/30/947494730.db2.gz	FPPWNYJIMGGRBX-RBUKOAKNSA-N	1	0	352.438	1.418	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)C2	ZINC001573335961	947494911	/nfs/dbraw/zinc/49/49/11/947494911.db2.gz	XWNDJBOCCXNCDB-UGSOOPFHSA-N	1	0	355.446	1.603	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573336081	947498119	/nfs/dbraw/zinc/49/81/19/947498119.db2.gz	HUJUVFNBPGCQAI-MRXNPFEDSA-N	1	0	370.457	1.540	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090872343	947499809	/nfs/dbraw/zinc/49/98/09/947499809.db2.gz	KPZYOWXXHVVVQH-YTQUADARSA-N	1	0	371.481	1.634	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@H]2NCC#N)cc1	ZINC001090874489	947528285	/nfs/dbraw/zinc/52/82/85/947528285.db2.gz	KFVIOQDNEPOJSY-YSIASYRMSA-N	1	0	370.497	1.977	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1c1ccc(OC)cc1	ZINC001090874569	947529702	/nfs/dbraw/zinc/52/97/02/947529702.db2.gz	LFEOABBJVNTLDO-FUHWJXTLSA-N	1	0	366.421	1.115	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2cn(CC)nn2)C[C@H]1c1ccc(OC)cc1	ZINC001090877346	947531160	/nfs/dbraw/zinc/53/11/60/947531160.db2.gz	PPXHHQWMOXMUFX-RBUKOAKNSA-N	1	0	369.469	1.619	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCCC(=O)N2)C[C@H]1c1ccc(OC)cc1	ZINC001090875981	947552559	/nfs/dbraw/zinc/55/25/59/947552559.db2.gz	LILPIZNOSXKLGM-YTQUADARSA-N	1	0	371.481	1.824	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCCC(=O)N2)C[C@H]1c1ccc(OC)cc1	ZINC001090876194	947555439	/nfs/dbraw/zinc/55/54/39/947555439.db2.gz	RHZWRJSXFWDXSN-YTQUADARSA-N	1	0	369.465	1.271	20	30		FDEDRO
C=CCOCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1	ZINC001573347609	947574161	/nfs/dbraw/zinc/57/41/61/947574161.db2.gz	FCYOFVMODXJKLV-UONOGXRCSA-N	1	0	373.461	1.228	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573348630	947587247	/nfs/dbraw/zinc/58/72/47/947587247.db2.gz	SKRJBOAPJGEIGA-ZFWWWQNUSA-N	1	0	373.461	1.276	20	30		FDEDRO
Cn1nccc1[C@@H](O)C1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000856804128	971403863	/nfs/dbraw/zinc/40/38/63/971403863.db2.gz	MKODSUPDIPACGO-PXNSSMCTSA-N	1	0	370.453	1.477	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C#C)cn2)C[C@H]1c1ccc(OC)cc1	ZINC001090884505	947642971	/nfs/dbraw/zinc/64/29/71/947642971.db2.gz	UMCQYDHPYHUHOD-PZJWPPBQSA-N	1	0	359.429	1.903	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]2C1	ZINC001573359033	947676706	/nfs/dbraw/zinc/67/67/06/947676706.db2.gz	UUZSYNXGTJJDLK-MJBXVCDLSA-N	1	0	353.430	1.048	20	30		FDEDRO
CC#CCCCC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573359159	947678261	/nfs/dbraw/zinc/67/82/61/947678261.db2.gz	WFDVVEVLFCSKON-QGZVFWFLSA-N	1	0	352.442	1.751	20	30		FDEDRO
CO[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)[C@H](C(C)C)[NH+]1CCCC1	ZINC001090892535	947748636	/nfs/dbraw/zinc/74/86/36/947748636.db2.gz	SYTJRWKFQWCGSX-QRQLOZEOSA-N	1	0	371.485	1.393	20	30		FDEDRO
[NH3+]CCCN(Cc1ccccc1)C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000844194940	947834482	/nfs/dbraw/zinc/83/44/82/947834482.db2.gz	ONSMKNFQFSGSHC-VHEBQXMUSA-N	1	0	356.426	1.281	20	30		FDEDRO
CO[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1	ZINC001090899348	947839534	/nfs/dbraw/zinc/83/95/34/947839534.db2.gz	AITBIAHUBNGMGN-RTBURBONSA-N	1	0	371.485	1.539	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N[C@@H]1CN(c2snc(Cl)c2C#N)C[C@H]1OC	ZINC001090907742	947898138	/nfs/dbraw/zinc/89/81/38/947898138.db2.gz	QKJGOOWBXROWBP-VXGBXAGGSA-N	1	0	371.894	1.330	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@H]1OC	ZINC001090907640	947898965	/nfs/dbraw/zinc/89/89/65/947898965.db2.gz	MZANPUQETALLLG-GHMZBOCLSA-N	1	0	371.894	1.330	20	30		FDEDRO
CC[C@@H](C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1OC)[NH+](CC)CC	ZINC001090945898	948068099	/nfs/dbraw/zinc/06/80/99/948068099.db2.gz	YAOORVBGQULJPD-IXDOHACOSA-N	1	0	359.474	1.393	20	30		FDEDRO
CN(C)C(=O)N[C@H]1COCCC12CC[NH+](Cc1cncc(C#N)c1)CC2	ZINC001144080711	948201712	/nfs/dbraw/zinc/20/17/12/948201712.db2.gz	WFQKLVVZLGIIRF-KRWDZBQOSA-N	1	0	357.458	1.596	20	30		FDEDRO
CN(C)C(=O)N[C@@H]1COCCC12CC[NH+](Cc1ccc(C#N)cn1)CC2	ZINC001144158590	948302379	/nfs/dbraw/zinc/30/23/79/948302379.db2.gz	LZJPOYGNKUJDMW-QGZVFWFLSA-N	1	0	357.458	1.596	20	30		FDEDRO
Cn1cc([C@H]2CC(=O)N(C)C23CC[NH+](Cc2ccc(C#N)cn2)CC3)cn1	ZINC001144158833	948302758	/nfs/dbraw/zinc/30/27/58/948302758.db2.gz	RDIVTAWVEDUDAM-GOSISDBHSA-N	1	0	364.453	1.667	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@H]3OC[C@@H](C(=O)N4CCCCO4)C[C@H]3C2)nc1	ZINC001144160951	948305785	/nfs/dbraw/zinc/30/57/85/948305785.db2.gz	ZXOCBLILYFKDJN-JENIJYKNSA-N	1	0	370.453	1.734	20	30		FDEDRO
N#C[C@H]1CSCCN1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1=O	ZINC000844698200	948342586	/nfs/dbraw/zinc/34/25/86/948342586.db2.gz	MYCYDWVLROZTIE-FHWLQOOXSA-N	1	0	370.522	1.865	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-c3ncon3)c2)C1	ZINC001196144560	971478281	/nfs/dbraw/zinc/47/82/81/971478281.db2.gz	ABLLUBWHNJAYRI-KBRIMQKVSA-N	1	0	356.426	1.866	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C	ZINC000775686599	971482715	/nfs/dbraw/zinc/48/27/15/971482715.db2.gz	HVDSMDVKCPDWQF-ZIAGYGMSSA-N	1	0	368.478	1.671	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC([NH2+]CCn2nc(C)cc2C)C1	ZINC001091034667	948559321	/nfs/dbraw/zinc/55/93/21/948559321.db2.gz	RHADGFOPMBSGJA-GMNCBBECSA-N	1	0	360.502	1.966	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCO[C@@H]2CN(c3ccc(C#N)c(C)n3)C[C@@H]21	ZINC001091047207	948672577	/nfs/dbraw/zinc/67/25/77/948672577.db2.gz	ZKQIAPLIDSWIKL-DLBZAZTESA-N	1	0	357.458	1.020	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@@H](Cc1ccccc1)c1nccn1C	ZINC000845220393	948825864	/nfs/dbraw/zinc/82/58/64/948825864.db2.gz	IESUZCOHQNGGJJ-SFHVURJKSA-N	1	0	353.470	1.958	20	30		FDEDRO
C#CCN1CCN(C(=O)CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1	ZINC000775688667	971511619	/nfs/dbraw/zinc/51/16/19/971511619.db2.gz	IMXVZUKJLROPBV-FPOVZHCZSA-N	1	0	368.525	1.264	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(C(N)=O)nc1)C2	ZINC001110715939	971549433	/nfs/dbraw/zinc/54/94/33/971549433.db2.gz	APTINMOQEAIGIH-UWIFEVILSA-N	1	0	356.470	1.799	20	30		FDEDRO
CC(C)(C)C#CC(=O)NC/C=C\C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573793373	949296608	/nfs/dbraw/zinc/29/66/08/949296608.db2.gz	QQRAQBXIKFIHMO-PLNGDYQASA-N	1	0	370.432	1.817	20	30		FDEDRO
C=C[C@H](C)ONC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000845635491	949718762	/nfs/dbraw/zinc/71/87/62/949718762.db2.gz	HABRKSFZWWKBGU-YOEHRIQHSA-N	1	0	360.458	1.689	20	30		FDEDRO
C#Cc1ccc(C[N@H+]2CC[C@H]3O[C@H](C(=O)NCC4CCOCC4)C[C@H]32)cc1	ZINC001144569583	949947928	/nfs/dbraw/zinc/94/79/28/949947928.db2.gz	UPADPOMDGGRZRW-NJYVYQBISA-N	1	0	368.477	1.943	20	30		FDEDRO
C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1ccc(C#N)cc1F	ZINC001574982552	950171713	/nfs/dbraw/zinc/17/17/13/950171713.db2.gz	DDZOUAJWCGWIGH-SNVBAGLBSA-N	1	0	368.376	1.114	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)c(OC)c(OC)c1	ZINC000845982661	950265590	/nfs/dbraw/zinc/26/55/90/950265590.db2.gz	UYKUKLKEKAFDLC-UHFFFAOYSA-N	1	0	367.833	1.367	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1	ZINC000857233915	971662935	/nfs/dbraw/zinc/66/29/35/971662935.db2.gz	KUPIRFRNGGZQBL-GFCCVEGCSA-N	1	0	353.435	1.141	20	30		FDEDRO
C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1	ZINC001574995706	950515233	/nfs/dbraw/zinc/51/52/33/950515233.db2.gz	HHBTVGNENMLVGT-VIFPVBQESA-N	1	0	356.415	1.036	20	30		FDEDRO
C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001574996067	950518572	/nfs/dbraw/zinc/51/85/72/950518572.db2.gz	KLFZHVTVRNAFPD-JTQLQIEISA-N	1	0	368.376	1.114	20	30		FDEDRO
CC(=O)N1CCOC[C@@]2(CN([C@@H](C)Cc3cccc(C#N)c3)CCO2)C1	ZINC001171213207	950544747	/nfs/dbraw/zinc/54/47/47/950544747.db2.gz	WYPLSUMQEWJQIQ-OXJNMPFZSA-N	1	0	357.454	1.439	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NCc2ccccc2C[NH2+]C)n1	ZINC000846204162	950635149	/nfs/dbraw/zinc/63/51/49/950635149.db2.gz	FDOZWJKMIIGLHP-UHFFFAOYSA-N	1	0	369.469	1.594	20	30		FDEDRO
CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)C1	ZINC000846275690	950838772	/nfs/dbraw/zinc/83/87/72/950838772.db2.gz	TZXVBSSDQSITKU-ROUUACIJSA-N	1	0	372.469	1.039	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1CC[C@H]2CCN(c3nc(C)cc(C#N)n3)[C@H]2C1	ZINC001091216870	950939342	/nfs/dbraw/zinc/93/93/42/950939342.db2.gz	VMSRGCQQIYTMOY-RDJZCZTQSA-N	1	0	356.474	1.426	20	30		FDEDRO
CC[C@@H](C(=O)N1CC[C@H]2CCN(c3ccnc(C#N)n3)[C@H]2C1)[NH+](CC)CC	ZINC001091229752	951119466	/nfs/dbraw/zinc/11/94/66/951119466.db2.gz	CIBQTINSHWDLIG-ULQDDVLXSA-N	1	0	370.501	1.896	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)N2CCC(C)CC2)C1	ZINC001091238229	951191527	/nfs/dbraw/zinc/19/15/27/951191527.db2.gz	NHLOVUKORZKZKB-HIEASXQVSA-N	1	0	363.502	1.320	20	30		FDEDRO
Cc1cc(N[C@@H]2CCCC[C@H]2NC(=O)COCC[NH+](C)C)c(C#N)cn1	ZINC001091269376	951254383	/nfs/dbraw/zinc/25/43/83/951254383.db2.gz	UHDYFXLRDZEILB-IAGOWNOFSA-N	1	0	359.474	1.101	20	30		FDEDRO
N#Cc1nccc(N[C@@H]2CCCC[C@H]2NC(=O)CCC[NH+]2CCCC2)n1	ZINC001091261807	951266998	/nfs/dbraw/zinc/26/69/98/951266998.db2.gz	MDZLFTPZHULSBV-HZPDHXFCSA-N	1	0	356.474	1.485	20	30		FDEDRO
CN1CCN(C(=O)c2cccc(NC(=[NH2+])c3ccc(C(N)=O)cc3)c2)CC1	ZINC001171258692	951726517	/nfs/dbraw/zinc/72/65/17/951726517.db2.gz	KKCLYAOJPCXWBR-UHFFFAOYSA-N	1	0	365.437	1.210	20	30		FDEDRO
C#C[C@@H]1CCC[N@@H+](CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)C1	ZINC000847028518	951779206	/nfs/dbraw/zinc/77/92/06/951779206.db2.gz	HEQWLWGDSXLZGQ-QGZVFWFLSA-N	1	0	353.466	1.753	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cncs4)C[C@]3(C)C2)C1=O	ZINC001091517108	951923716	/nfs/dbraw/zinc/92/37/16/951923716.db2.gz	FYDMDBBJPIXOKC-LBTNJELSSA-N	1	0	360.483	1.324	20	30		FDEDRO
C[C@H](C[NH2+]Cc1cccc(C#N)c1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001575114285	951955124	/nfs/dbraw/zinc/95/51/24/951955124.db2.gz	OOTPUJXXLTXDOA-GFCCVEGCSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)c3ccccc3)C[C@@]2(C)C1	ZINC001091543805	951982057	/nfs/dbraw/zinc/98/20/57/951982057.db2.gz	OOGSYSVVYMCQHX-QINHECLXSA-N	1	0	354.454	1.589	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCCCCCC3)C[C@@]2(C)C1	ZINC001091545847	951985804	/nfs/dbraw/zinc/98/58/04/951985804.db2.gz	VJCABPNKGCEZBE-HLIPFELVSA-N	1	0	360.502	1.719	20	30		FDEDRO
N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1	ZINC001146196325	951991164	/nfs/dbraw/zinc/99/11/64/951991164.db2.gz	KNWYNUYBLATBQB-HSALFYBXSA-N	1	0	368.481	1.184	20	30		FDEDRO
C[C@]12CN(C(=O)c3nccnc3N)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001091550113	952018241	/nfs/dbraw/zinc/01/82/41/952018241.db2.gz	SGIVIZVQAJAJLF-UZLBHIALSA-N	1	0	362.437	1.525	20	30		FDEDRO
C[C@]12CN(C(=O)CCc3nnc[nH]3)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001091579411	952127873	/nfs/dbraw/zinc/12/78/73/952127873.db2.gz	YURVPZBLWHGILD-XLIONFOSSA-N	1	0	364.453	1.589	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn3ccccc3n1)C2	ZINC001110724955	971805290	/nfs/dbraw/zinc/80/52/90/971805290.db2.gz	KAPZMKXAPFCVCP-KURKYZTESA-N	1	0	354.454	1.801	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C(F)(F)F)CCC1)C2	ZINC001110725193	971806460	/nfs/dbraw/zinc/80/64/60/971806460.db2.gz	PABJHDQUMHOMIH-UPJWGTAASA-N	1	0	359.392	1.743	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001571085822	952199359	/nfs/dbraw/zinc/19/93/59/952199359.db2.gz	VDTKOWDYCSXYHK-GXTWGEPZSA-N	1	0	371.420	1.588	20	30		FDEDRO
Cc1cc(N[C@@H]2CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C2)c(C#N)cn1	ZINC001091597154	952208048	/nfs/dbraw/zinc/20/80/48/952208048.db2.gz	JWNFXCRBPRPRFC-WDYCEAGBSA-N	1	0	357.502	1.967	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1	ZINC001146932930	952255513	/nfs/dbraw/zinc/25/55/13/952255513.db2.gz	JJZVEBSBEVPACR-WCFLWFBJSA-N	1	0	369.387	1.604	20	30		FDEDRO
C#CCN1CCCN(C(=O)C2CC[NH+](C3CCN(CC)CC3)CC2)CC1	ZINC001147290969	952365448	/nfs/dbraw/zinc/36/54/48/952365448.db2.gz	CFBOKURIUXUMRM-UHFFFAOYSA-N	1	0	360.546	1.350	20	30		FDEDRO
COCC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCO[C@H]3c3ccncc3)C2)C1	ZINC001147573201	952439651	/nfs/dbraw/zinc/43/96/51/952439651.db2.gz	XFMCZJJOVVESLH-MOPGFXCFSA-N	1	0	369.465	1.343	20	30		FDEDRO
Cn1cc(C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)cc4F)C[C@@]3(C)C2)nn1	ZINC001091645970	952477553	/nfs/dbraw/zinc/47/75/53/952477553.db2.gz	FZYFQTMNYYJRLZ-BEFAXECRSA-N	1	0	368.416	1.420	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](C[C@H](O)COCC(C)C)C2	ZINC001148310707	952679709	/nfs/dbraw/zinc/67/97/09/952679709.db2.gz	KTALOLQRLPXYFJ-KSZLIROESA-N	1	0	366.502	1.145	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2C[N@H+](CCn3cccn3)C[C@@]2(C)C1	ZINC001091738167	952766672	/nfs/dbraw/zinc/76/66/72/952766672.db2.gz	UKZTVYXUOJCCNA-XLIONFOSSA-N	1	0	353.470	1.965	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@@]2(C)C1	ZINC001091738661	952767511	/nfs/dbraw/zinc/76/75/11/952767511.db2.gz	BXCWKQAKTZRZNY-WWMYMODYSA-N	1	0	370.497	1.689	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccn(CC(F)(F)F)n3)C[C@]2(C)C1	ZINC001091763345	952849036	/nfs/dbraw/zinc/84/90/36/952849036.db2.gz	DUKFXYWCLTWASY-CJNGLKHVSA-N	1	0	354.376	1.863	20	30		FDEDRO
C=CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000282738012	952852151	/nfs/dbraw/zinc/85/21/51/952852151.db2.gz	XSCFVOXIDRFRRX-KRWDZBQOSA-N	1	0	368.485	1.993	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3C(C)C)C2)nc1	ZINC001086856118	952902049	/nfs/dbraw/zinc/90/20/49/952902049.db2.gz	JPMRXQZPAURZTB-JKSUJKDBSA-N	1	0	367.457	1.319	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(C)n(C)n3)C2)nc1	ZINC001086856283	952902565	/nfs/dbraw/zinc/90/25/65/952902565.db2.gz	RVPKRFZSJNNLMW-DLBZAZTESA-N	1	0	351.454	1.793	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H](C)c3nnc(C)[nH]3)C2)nc1	ZINC001086856915	952903888	/nfs/dbraw/zinc/90/38/88/952903888.db2.gz	AQIQAGUTYOHUDI-VBNZEHGJSA-N	1	0	352.442	1.739	20	30		FDEDRO
CN1C[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)CCC1=O	ZINC001086883318	952935361	/nfs/dbraw/zinc/93/53/61/952935361.db2.gz	DVHHYGFVBDVXLZ-ZYSHUDEJSA-N	1	0	368.481	1.801	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1cnn(C)c1	ZINC001086970891	952972892	/nfs/dbraw/zinc/97/28/92/952972892.db2.gz	LTGXXIQPQVHPEO-ARFHVFGLSA-N	1	0	351.882	1.151	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2[NH2+]C[C@@H]2CCCCO2)cn1	ZINC001086978592	952990847	/nfs/dbraw/zinc/99/08/47/952990847.db2.gz	FMUOCEDITDQUPL-GBESFXJTSA-N	1	0	356.470	1.287	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3nccn32)C[C@H]1c1cnn(C)c1	ZINC001086982286	952994834	/nfs/dbraw/zinc/99/48/34/952994834.db2.gz	CDCYUZDCCFCOFL-GVDBMIGSSA-N	1	0	354.458	1.264	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn3cc(C)ccc3n2)C[C@H]1c1cnn(C)c1	ZINC001086983773	952998063	/nfs/dbraw/zinc/99/80/63/952998063.db2.gz	HXJCXRCFCSXHPO-DLBZAZTESA-N	1	0	362.437	1.207	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1c1cnn(C)c1	ZINC001086984719	952999492	/nfs/dbraw/zinc/99/94/92/952999492.db2.gz	ZYOVNEOXRPEDBC-ARFHVFGLSA-N	1	0	353.898	1.397	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1c1cnn(C)c1	ZINC001086984860	952999961	/nfs/dbraw/zinc/99/99/61/952999961.db2.gz	HYTXTDMJMANWIJ-BBWFWOEESA-N	1	0	365.909	1.541	20	30		FDEDRO
C=CCOC(=O)N[C@H]1CCCN(C(=S)NCCC[NH+](CC)CC)C1	ZINC001196686099	971889461	/nfs/dbraw/zinc/88/94/61/971889461.db2.gz	DENOWCUBLPURDQ-HNNXBMFYSA-N	1	0	356.536	1.969	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3ccccc3O2)C[C@H]1c1cnn(C)c1	ZINC001086987033	953008404	/nfs/dbraw/zinc/00/84/04/953008404.db2.gz	WFJUIGBJHJTRRF-NLWGTHIKSA-N	1	0	366.465	1.884	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2scnc2C(F)F)C[C@H]1c1cnn(C)c1	ZINC001086987402	953009579	/nfs/dbraw/zinc/00/95/79/953009579.db2.gz	QEAQEKRYCVBYEZ-NWDGAFQWSA-N	1	0	365.409	1.645	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cn2cnc3c2CCCC3)C[C@H]1c1cnn(C)c1	ZINC001086987975	953011734	/nfs/dbraw/zinc/01/17/34/953011734.db2.gz	XXJSPJHGNNQKKE-FUHWJXTLSA-N	1	0	368.485	1.266	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C2(c3cccnc3)CC2)C[C@H]1c1cnn(C)c1	ZINC001086993064	953025660	/nfs/dbraw/zinc/02/56/60/953025660.db2.gz	FNRFRHCOGJVFGC-ZWKOTPCHSA-N	1	0	351.454	1.617	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]c3cnccc23)C[C@H]1c1cnn(C)c1	ZINC001086993278	953026575	/nfs/dbraw/zinc/02/65/75/953026575.db2.gz	PXIUYXHXOGRNHN-PKOBYXMFSA-N	1	0	364.453	1.609	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3n[nH]cc3c2)C[C@H]1c1cnn(C)c1	ZINC001086993793	953028216	/nfs/dbraw/zinc/02/82/16/953028216.db2.gz	RWPDBIZBZUAJHG-FUHWJXTLSA-N	1	0	350.426	1.680	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccnc3[nH]cnc32)C[C@H]1c1cnn(C)c1	ZINC001086981555	953032960	/nfs/dbraw/zinc/03/29/60/953032960.db2.gz	PXBRRMFHMWKFNV-JKSUJKDBSA-N	1	0	365.441	1.465	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccnn2C2CCCC2)C[C@H]1c1cnn(C)c1	ZINC001086981561	953033135	/nfs/dbraw/zinc/03/31/35/953033135.db2.gz	QACPQQAYIAYYGT-ZWKOTPCHSA-N	1	0	366.469	1.563	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC(F)(F)C2)C[C@H]1c1cnn(C)c1	ZINC001086981992	953034669	/nfs/dbraw/zinc/03/46/69/953034669.db2.gz	OKOZBUONGFXUFC-CWRNSKLLSA-N	1	0	350.413	1.763	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2ccc(C)cc2=O)C[C@H]1c1cnn(C)c1	ZINC001087000297	953049639	/nfs/dbraw/zinc/04/96/39/953049639.db2.gz	PECUFWRYUNZEKW-ZWKOTPCHSA-N	1	0	369.469	1.051	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc3nc(C)[nH]c32)C[C@H]1c1cnn(C)c1	ZINC001087004150	953061281	/nfs/dbraw/zinc/06/12/81/953061281.db2.gz	JBRNSDOPWRLFJY-FUHWJXTLSA-N	1	0	362.437	1.436	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccc(N(C)C)c2)C[C@H]1c1cnn(C)c1	ZINC001087007072	953091936	/nfs/dbraw/zinc/09/19/36/953091936.db2.gz	LDQHOXLAQKPOPE-RBUKOAKNSA-N	1	0	353.470	1.870	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COc2ccc(CC)cc2)C[C@H]1c1cnn(C)c1	ZINC001087008304	953095394	/nfs/dbraw/zinc/09/53/94/953095394.db2.gz	YNROMAMVCFIBHW-VQTJNVASSA-N	1	0	366.465	1.579	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C(=O)Nc2ccc(C)cc2)C[C@H]1c1cnn(C)c1	ZINC001087008980	953096693	/nfs/dbraw/zinc/09/66/93/953096693.db2.gz	INPMCSCRICSKST-ZWKOTPCHSA-N	1	0	367.453	1.437	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccc(NC(C)=O)c2)C[C@H]1c1cnn(C)c1	ZINC001087009145	953097437	/nfs/dbraw/zinc/09/74/37/953097437.db2.gz	RJPCOAVGSBMTOP-RBUKOAKNSA-N	1	0	367.453	1.762	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH]nc3C2)C[C@H]1c1cnn(C)c1	ZINC001087010118	953100759	/nfs/dbraw/zinc/10/07/59/953100759.db2.gz	MROIOSLWCROOCO-QANKJYHBSA-N	1	0	354.458	1.018	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cncnc2CC)C[C@H]1c1cnn(C)c1	ZINC001087010254	953101401	/nfs/dbraw/zinc/10/14/01/953101401.db2.gz	SLKNZAQREXTCKW-FUHWJXTLSA-N	1	0	354.458	1.546	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)OC)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001087031978	953129713	/nfs/dbraw/zinc/12/97/13/953129713.db2.gz	UGFKSCQRSUPBHT-FDQGKXFDSA-N	1	0	363.433	1.685	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087053433	953185684	/nfs/dbraw/zinc/18/56/84/953185684.db2.gz	OOIIQAHEIHFRBW-RTBURBONSA-N	1	0	371.481	1.816	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1cnns1	ZINC001087046214	953193770	/nfs/dbraw/zinc/19/37/70/953193770.db2.gz	RAENQPWHMBRVQD-IAQYHMDHSA-N	1	0	360.443	1.005	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ncc(C)cn2)[C@H](OCC)C1	ZINC001087085556	953246747	/nfs/dbraw/zinc/24/67/47/953246747.db2.gz	LERFFIBGEWFEGC-ZJPYXAASSA-N	1	0	374.485	1.329	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnc(C)cn2)[C@H](OCC)C1	ZINC001087085458	953246802	/nfs/dbraw/zinc/24/68/02/953246802.db2.gz	GEXVFBXKXRLLKU-OQIJWPOYSA-N	1	0	374.485	1.329	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cncn3C)[C@H](OCC)C2)cn1	ZINC001087097203	953283930	/nfs/dbraw/zinc/28/39/30/953283930.db2.gz	AZXAMKOZTFTNJQ-VQIMIIECSA-N	1	0	367.453	1.063	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cc(C)on3)[C@H](OCC)C2)nc1	ZINC001087097407	953284354	/nfs/dbraw/zinc/28/43/54/953284354.db2.gz	NVUGHAURKSLSNS-VQIMIIECSA-N	1	0	368.437	1.626	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nccs3)[C@H](OCC)C2)cn1	ZINC001087097291	953284427	/nfs/dbraw/zinc/28/44/27/953284427.db2.gz	HHEGOFBZPDAFOW-NVXWUHKLSA-N	1	0	370.478	1.786	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]C[C@@H]3CCCCO3)[C@H](OCC)C2)cn1	ZINC001087097379	953284586	/nfs/dbraw/zinc/28/45/86/953284586.db2.gz	MVAQKCJOOGEQCK-YZGWKJHDSA-N	1	0	371.481	1.699	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC3CCOCC3)[C@H](OCC)C2)nc1	ZINC001087097585	953285057	/nfs/dbraw/zinc/28/50/57/953285057.db2.gz	YMMDJZJAQMFTQP-UYAOXDASSA-N	1	0	371.481	1.556	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)CCN1c1ncccc1C#N	ZINC001091784736	953301849	/nfs/dbraw/zinc/30/18/49/953301849.db2.gz	QVQBAONTXFDAOM-BPQIPLTHSA-N	1	0	371.485	1.395	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CCN1c1cncc(C#N)n1	ZINC001091786585	953304795	/nfs/dbraw/zinc/30/47/95/953304795.db2.gz	QZOLNJTZRCQENH-DLBZAZTESA-N	1	0	356.474	1.698	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)CCN1c1ncc(C#N)cc1F	ZINC001091807250	953338103	/nfs/dbraw/zinc/33/81/03/953338103.db2.gz	UXYZWYZRENUMPG-GVDBMIGSSA-N	1	0	359.449	1.906	20	30		FDEDRO
Cc1ccc(C#N)c(N2CC[C@@H]3CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]3C2)n1	ZINC001091854637	953547620	/nfs/dbraw/zinc/54/76/20/953547620.db2.gz	CQDSXSAGBMVJJY-MSOLQXFVSA-N	1	0	355.486	1.887	20	30		FDEDRO
Cc1cc(N2CC[C@@H]3CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]3C2)c(C#N)cn1	ZINC001091855305	953552929	/nfs/dbraw/zinc/55/29/29/953552929.db2.gz	VQNVZKYSWIOTPP-AEFFLSMTSA-N	1	0	355.486	1.887	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1C[C@H]2CCN(c3ccc(C#N)c(C)n3)C[C@H]2C1	ZINC001091858309	953575542	/nfs/dbraw/zinc/57/55/42/953575542.db2.gz	KWGWACUBSQSBBF-MSOLQXFVSA-N	1	0	355.486	1.888	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)C3(n4cnnn4)CCCCC3)C[C@]2(C)C1	ZINC001091903780	953668676	/nfs/dbraw/zinc/66/86/76/953668676.db2.gz	YMCSBPNECAKQLN-AEFFLSMTSA-N	1	0	358.490	1.689	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N[C@H]1CCN(c2cc(C#N)nc(CC)n2)[C@@H]1C	ZINC001091998609	953921559	/nfs/dbraw/zinc/92/15/59/953921559.db2.gz	WPPDEKSVVBFRLY-ZBFHGGJFSA-N	1	0	358.490	1.726	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]2C)n1	ZINC001091999174	953922364	/nfs/dbraw/zinc/92/23/64/953922364.db2.gz	IQBIGEGMSMNIKH-XUWXXGDYSA-N	1	0	358.490	1.580	20	30		FDEDRO
Cc1nc(N2CC[C@H](NC(=O)COC3CC[NH+](C)CC3)[C@H]2C)ccc1C#N	ZINC001092005166	953941507	/nfs/dbraw/zinc/94/15/07/953941507.db2.gz	WLQROZWZBDWZTM-QAPCUYQASA-N	1	0	371.485	1.456	20	30		FDEDRO
C[C@]12CN(C(=O)[C@]3(C)CCNC3=O)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001092008393	953951310	/nfs/dbraw/zinc/95/13/10/953951310.db2.gz	JSKHHMUNIRSFMT-BVYCBKJFSA-N	1	0	365.477	1.345	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCN(c2ccc(C#N)nc2)[C@@H]1C	ZINC001091973110	953960498	/nfs/dbraw/zinc/96/04/98/953960498.db2.gz	WOKIERVIIGZKNP-DAYGRLMNSA-N	1	0	357.458	1.005	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)[C@@H]1C)[NH+]1CCCCC1	ZINC001091979497	953976730	/nfs/dbraw/zinc/97/67/30/953976730.db2.gz	HOTDDXVSVARGNA-HHXXYDBFSA-N	1	0	370.501	1.942	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@H]1CCN(c2nccnc2C#N)[C@@H]1C)[NH+]1CCCC1	ZINC001091979866	953977658	/nfs/dbraw/zinc/97/76/58/953977658.db2.gz	VUKRIVLGGJCSKL-VYDXJSESSA-N	1	0	356.474	1.552	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1CCN(c2ncc(C#N)cc2F)[C@@H]1C	ZINC001092018264	954078442	/nfs/dbraw/zinc/07/84/42/954078442.db2.gz	QYIQQDDDVSMFIC-WQVCFCJDSA-N	1	0	365.428	1.856	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)CCN1c1ccc(C#N)cn1	ZINC001092060671	954174575	/nfs/dbraw/zinc/17/45/75/954174575.db2.gz	CPVFZSHYEOZYOA-WBVHZDCISA-N	1	0	371.485	1.395	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ccn(CC)n4)C[C@]3(C)C2)C1=O	ZINC001092069503	954204788	/nfs/dbraw/zinc/20/47/88/954204788.db2.gz	PJMISFZNHCXOMZ-SYNHAJSKSA-N	1	0	371.485	1.084	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3C[N@H+](CC4CC(F)(F)C4)C[C@@]3(C)C2)nn1	ZINC001092078658	954224346	/nfs/dbraw/zinc/22/43/46/954224346.db2.gz	ACYHZFVWJSUSMI-PBHICJAKSA-N	1	0	365.428	1.903	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)C[C@H]3NC(=O)c4ccccc43)C[C@]2(C)C1	ZINC001092117341	954354577	/nfs/dbraw/zinc/35/45/77/954354577.db2.gz	UCLOLUYLZKWNMV-FPDPHYFHSA-N	1	0	351.450	1.665	20	30		FDEDRO
CCn1cc(C(=O)N2C[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@@]3(C)C2)nn1	ZINC001092144697	954386729	/nfs/dbraw/zinc/38/67/29/954386729.db2.gz	ZUPSPEXIBIBKJE-XLIONFOSSA-N	1	0	364.453	1.764	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)C[C@]2(C)C1	ZINC001092148530	954392202	/nfs/dbraw/zinc/39/22/02/954392202.db2.gz	CEKPRMGXNJTQMH-FCEWJHQRSA-N	1	0	359.474	1.285	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C3(N4CCOCC4)CCC3)C[C@]2(C)C1	ZINC001092150651	954400913	/nfs/dbraw/zinc/40/09/13/954400913.db2.gz	YEGLYYYYYNLIFY-QUCCMNQESA-N	1	0	361.530	1.988	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)CN3Cc4ccccc4C3=O)C[C@]2(C)C1	ZINC001092210560	954616816	/nfs/dbraw/zinc/61/68/16/954616816.db2.gz	OTEYUMURDOQLBF-UTKZUKDTSA-N	1	0	353.466	1.999	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+]([C@@H]4CCCN(C)C4=O)C[C@@]3(C)C2)nc1	ZINC001092211890	954620568	/nfs/dbraw/zinc/62/05/68/954620568.db2.gz	SMMUVBBAVMXOHF-BLIXFSHQSA-N	1	0	366.465	1.078	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2C[C@H]3C[N@H+](CCCO)C[C@@]3(C)C2)cc1	ZINC001092308513	954780652	/nfs/dbraw/zinc/78/06/52/954780652.db2.gz	LMYISCPSDVJVSH-NQIIRXRSSA-N	1	0	358.482	1.957	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N1C[C@H]2CN(c3nccnc3C#N)C[C@@]2(C)C1	ZINC001092293563	954900224	/nfs/dbraw/zinc/90/02/24/954900224.db2.gz	NFVLCDPGLKPNCV-HNAYVOBHSA-N	1	0	356.474	1.365	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N1C[C@H]2CN(c3ccc(C#N)c(C)n3)C[C@@]2(C)C1	ZINC001092295385	954904205	/nfs/dbraw/zinc/90/42/05/954904205.db2.gz	BFENHBCFAQCAOJ-XLIONFOSSA-N	1	0	355.486	1.888	20	30		FDEDRO
C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)c1nccn12	ZINC001092383541	954981246	/nfs/dbraw/zinc/98/12/46/954981246.db2.gz	IBVVIFUMYHIQHO-UFYUIRFASA-N	1	0	368.481	1.845	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1	ZINC001092423478	955059813	/nfs/dbraw/zinc/05/98/13/955059813.db2.gz	MAWZOQFHAHOSEM-IDHHARJASA-N	1	0	368.485	1.411	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C	ZINC001092460269	955183274	/nfs/dbraw/zinc/18/32/74/955183274.db2.gz	FYMAMAZEHYEDFJ-INMHGKMJSA-N	1	0	356.474	1.411	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C	ZINC001092460619	955185082	/nfs/dbraw/zinc/18/50/82/955185082.db2.gz	VGOKJLUDTIAAHS-BFYDXBDKSA-N	1	0	356.474	1.411	20	30		FDEDRO
Cc1c(C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2C)nnn1C	ZINC001092518467	955303468	/nfs/dbraw/zinc/30/34/68/955303468.db2.gz	PUBRMQIEIBGNED-MLGOLLRUSA-N	1	0	370.432	1.632	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CCNC(=O)[C@H](C1CC1)[NH+](C)C	ZINC001092550348	955397096	/nfs/dbraw/zinc/39/70/96/955397096.db2.gz	VPMASYWNIHYMOP-SIIHOXLZSA-N	1	0	356.474	1.267	20	30		FDEDRO
C[C@@H]1CN(c2ncccc2C#N)C[C@H]1CCNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001092532034	955496032	/nfs/dbraw/zinc/49/60/32/955496032.db2.gz	ZEHMRMJOQKXEMO-JFIYKMOQSA-N	1	0	355.486	1.874	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3oc(C)cc3C)[C@H](C)C2)C1=O	ZINC001092533422	955503368	/nfs/dbraw/zinc/50/33/68/955503368.db2.gz	LUJQQQCZHYSYDT-OIISXLGYSA-N	1	0	359.470	1.981	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)[C@]12C[C@H]1COC2	ZINC001092624797	955873818	/nfs/dbraw/zinc/87/38/18/955873818.db2.gz	KNIXHJIHGVFBIB-JPUXWFAOSA-N	1	0	357.429	1.918	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CCNc1ccnc(C#N)n1	ZINC001092626452	955878869	/nfs/dbraw/zinc/87/88/69/955878869.db2.gz	UBJHIPFPCXHSPJ-HUUCEWRRSA-N	1	0	356.474	1.008	20	30		FDEDRO
Cc1cc(NCC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)c(C#N)cn1	ZINC001092626927	955880272	/nfs/dbraw/zinc/88/02/72/955880272.db2.gz	MJNVDBXZDQMEES-NVXWUHKLSA-N	1	0	357.502	1.922	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](CCOC[C@@H]2CCCCO2)CC1	ZINC001197195508	972136641	/nfs/dbraw/zinc/13/66/41/972136641.db2.gz	DUEOHGCQDWZWEH-OTWHNJEPSA-N	1	0	366.502	1.698	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1CNc1ccncc1C#N	ZINC001092674798	955982467	/nfs/dbraw/zinc/98/24/67/955982467.db2.gz	PQUVPSLYLOZKPJ-NVXWUHKLSA-N	1	0	357.502	1.859	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@@H]1CCCNC1=O	ZINC001092699648	956083891	/nfs/dbraw/zinc/08/38/91/956083891.db2.gz	OAPXWRGPGGSPQA-ZTFGCOKTSA-N	1	0	354.454	1.269	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)NC[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1C	ZINC001092703517	956108170	/nfs/dbraw/zinc/10/81/70/956108170.db2.gz	CURVDZUEJIBFDY-CZUORRHYSA-N	1	0	370.428	1.912	20	30		FDEDRO
C[NH+](C)C1(C(=O)NC[C@]23CCC[C@H]2N(c2ccnc(C#N)n2)CC3)CCC1	ZINC001092705249	956117214	/nfs/dbraw/zinc/11/72/14/956117214.db2.gz	XADRXXOMHNOCRC-DNVCBOLYSA-N	1	0	368.485	1.698	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2snnc2C)C[C@H]1C	ZINC001092689902	956197407	/nfs/dbraw/zinc/19/74/07/956197407.db2.gz	QXZXUUVRNNDOLM-BMFZPTHFSA-N	1	0	361.515	1.128	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)c1ccn(C)c(=O)c1	ZINC001092741431	956240061	/nfs/dbraw/zinc/24/00/61/956240061.db2.gz	CTSAPHLVWXOSIW-YLJYHZDGSA-N	1	0	363.461	1.735	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@H]1CCC(=O)NC1	ZINC001092759322	956294889	/nfs/dbraw/zinc/29/48/89/956294889.db2.gz	SOJXOCAVEJAUET-FHLIZLRMSA-N	1	0	354.454	1.269	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N)[NH+]1CCCC1	ZINC001092850739	956453164	/nfs/dbraw/zinc/45/31/64/956453164.db2.gz	YDNLNGCIQQPCHH-FZCLSBEQSA-N	1	0	368.485	1.695	20	30		FDEDRO
N#Cc1cnc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCCCC2)C3)cn1	ZINC001092845111	956480015	/nfs/dbraw/zinc/48/00/15/956480015.db2.gz	RBHGEVRGPLQNPN-IKGGRYGDSA-N	1	0	354.458	1.450	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(=O)N(C)C(C)C)CC2)C1	ZINC001197320084	972193378	/nfs/dbraw/zinc/19/33/78/972193378.db2.gz	VJECKVADQVJVKR-IAGOWNOFSA-N	1	0	365.518	1.541	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(=O)N(C)C(C)C)CC2)C1	ZINC001197319982	972193948	/nfs/dbraw/zinc/19/39/48/972193948.db2.gz	SIZQFIORSHJJGL-ARFHVFGLSA-N	1	0	351.491	1.149	20	30		FDEDRO
Cc1cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C3)c(C#N)cn1	ZINC001092887076	956675475	/nfs/dbraw/zinc/67/54/75/956675475.db2.gz	VTKXKUNAMAANQP-DFEOGRTESA-N	1	0	353.470	1.828	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CCC)C2	ZINC001110137934	956786158	/nfs/dbraw/zinc/78/61/58/956786158.db2.gz	CUVQRNHRXPFVBL-OWSLCNJRSA-N	1	0	363.502	1.702	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21	ZINC001092898714	956833611	/nfs/dbraw/zinc/83/36/11/956833611.db2.gz	DICSQNJAFHJXGN-FZWVUDROSA-N	1	0	357.429	1.774	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)c3ocnc3CC)[C@H](C)C2)C1=O	ZINC001092950740	956879324	/nfs/dbraw/zinc/87/93/24/956879324.db2.gz	AIEWQUCRAGUNRF-FMKPAKJESA-N	1	0	360.458	1.322	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(OC)nc3)C[C@H]2C)c1	ZINC001092951650	956882669	/nfs/dbraw/zinc/88/26/69/956882669.db2.gz	FEJZSZOJMCEFNW-DNVCBOLYSA-N	1	0	364.449	1.964	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[N@H+](Cc3cccc(OC)n3)C[C@H]2C)c1	ZINC001092952158	956885252	/nfs/dbraw/zinc/88/52/52/956885252.db2.gz	HUZAVPXFBDPFCL-CRAIPNDOSA-N	1	0	364.449	1.964	20	30		FDEDRO
N#Cc1nccc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC[NH+]2CCCC2)C3)n1	ZINC001092980313	956983856	/nfs/dbraw/zinc/98/38/56/956983856.db2.gz	TZDJOGDSBBPGHN-OAGGEKHMSA-N	1	0	354.458	1.450	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2c(C)c[nH]c2CC(N)=O)[C@H](C)C1	ZINC001092984513	956994450	/nfs/dbraw/zinc/99/44/50/956994450.db2.gz	BVWQTNVSBQNJFM-DGCLKSJQSA-N	1	0	352.866	1.401	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)c1ccnnc1	ZINC001092999316	957099860	/nfs/dbraw/zinc/09/98/60/957099860.db2.gz	GQXCWHGVJQWKRL-CXAGYDPISA-N	1	0	353.401	1.985	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)c1ccnnc1	ZINC001093000183	957101118	/nfs/dbraw/zinc/10/11/18/957101118.db2.gz	ZVTDXDZYUZETBC-CXAGYDPISA-N	1	0	353.401	1.985	20	30		FDEDRO
Cc1cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2([NH+](C)C)CCC2)C3)c(C#N)cn1	ZINC001093022834	957158835	/nfs/dbraw/zinc/15/88/35/957158835.db2.gz	FXWASNNTCLBETA-ZACQAIPSSA-N	1	0	353.470	1.972	20	30		FDEDRO
C[NH+](C)C1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2C#N)CCCC1	ZINC001093029902	957186411	/nfs/dbraw/zinc/18/64/11/957186411.db2.gz	NFVGLKGILKBZHC-INMHGKMJSA-N	1	0	368.485	1.839	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cnnn2CC)C[C@H]1C	ZINC001093045976	957210673	/nfs/dbraw/zinc/21/06/73/957210673.db2.gz	UHPNOUVVJKUJRF-LMSBXDPUSA-N	1	0	361.490	1.463	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)c1cnn(C)n1	ZINC001093052059	957226289	/nfs/dbraw/zinc/22/62/89/957226289.db2.gz	OAWOSUIRURWCSO-IUODEOHRSA-N	1	0	356.405	1.324	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]2C)cc1	ZINC001093031694	957242689	/nfs/dbraw/zinc/24/26/89/957242689.db2.gz	HYRICHBCHDDXSN-SUMDDJOVSA-N	1	0	369.465	1.227	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@H+](Cc3cccc(OC)c3)C[C@H]2C)nn1	ZINC001093034912	957251218	/nfs/dbraw/zinc/25/12/18/957251218.db2.gz	GEWUNNRFMLBLEP-NVXWUHKLSA-N	1	0	369.469	1.971	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2CN(c2ccc(C#N)cn2)C3)CC1	ZINC001093104616	957455589	/nfs/dbraw/zinc/45/55/89/957455589.db2.gz	HOYSBJUZOTXTFE-JXFKEZNVSA-N	1	0	353.470	1.770	20	30		FDEDRO
COc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)nn1	ZINC001093108286	957494295	/nfs/dbraw/zinc/49/42/95/957494295.db2.gz	UQWBFBLFHSETQH-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2ccc(C#N)nn2)C1	ZINC001093114268	957553290	/nfs/dbraw/zinc/55/32/90/957553290.db2.gz	SWFQGMDRFWZJAJ-CHWSQXEVSA-N	1	0	370.379	1.491	20	30		FDEDRO
C[NH+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2ccc(C#N)cn2)C1	ZINC001093115604	957557927	/nfs/dbraw/zinc/55/79/27/957557927.db2.gz	IZYFGGQZZLOYRO-CHWSQXEVSA-N	1	0	355.364	1.706	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(CNc2nccnc2C#N)C1	ZINC001093124888	957590879	/nfs/dbraw/zinc/59/08/79/957590879.db2.gz	QLZYXDBRNDNHGU-KXBFYZLASA-N	1	0	356.474	1.731	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)c1cccn(C)c1=O	ZINC001093139761	957634991	/nfs/dbraw/zinc/63/49/91/957634991.db2.gz	SOSFYCYLAHGCJJ-CRAIPNDOSA-N	1	0	364.449	1.755	20	30		FDEDRO
CC(=O)N1CC[C@H](C(=O)NC[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2C)C1	ZINC001093164316	957714022	/nfs/dbraw/zinc/71/40/22/957714022.db2.gz	XSUGENLGKKXZQK-JRGCBEDISA-N	1	0	367.493	1.591	20	30		FDEDRO
CCn1nc(C)c(C(=O)NC[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2C)n1	ZINC001093259100	957896396	/nfs/dbraw/zinc/89/63/96/957896396.db2.gz	SXEZPCQNBHUKDF-VQIMIIECSA-N	1	0	365.481	1.956	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2ccnc(-n3cncn3)c2)[C@H](C)C1	ZINC001093247903	957920003	/nfs/dbraw/zinc/92/00/03/957920003.db2.gz	RUIIKCBARFRYRP-IUODEOHRSA-N	1	0	360.849	1.713	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3cc(F)c[nH]3)C[C@H]2C)C1=O	ZINC001093280019	957954443	/nfs/dbraw/zinc/95/44/43/957954443.db2.gz	BDLIMSDAQVLLKD-FMKPAKJESA-N	1	0	362.449	1.629	20	30		FDEDRO
C#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1	ZINC001093378707	958018140	/nfs/dbraw/zinc/01/81/40/958018140.db2.gz	RXTLPRCQNCLDOX-SQNIBIBYSA-N	1	0	357.498	1.614	20	30		FDEDRO
C=CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1cncn1C)CCO2	ZINC001093406441	958022954	/nfs/dbraw/zinc/02/29/54/958022954.db2.gz	BHWFLBAYKORURR-MUZJZNNISA-N	1	0	358.486	1.839	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)c2cc(C#N)c[nH]2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CC1CC1)C2	ZINC001093438888	958073470	/nfs/dbraw/zinc/07/34/70/958073470.db2.gz	HMZZUCNPFUFAFA-FTEYMNFISA-N	1	0	356.470	1.876	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3OCCCO3)[C@H]2C(C)C)C[C@H]1O	ZINC001093443459	958084914	/nfs/dbraw/zinc/08/49/14/958084914.db2.gz	QTFLBHHOAVTDOK-VVWQDTPRSA-N	1	0	352.475	1.292	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3OCCCO3)[C@H]2C(C)C)C[C@H]1O	ZINC001093444123	958088338	/nfs/dbraw/zinc/08/83/38/958088338.db2.gz	ZSCFYYXDKZSWMT-YAJHFMINSA-N	1	0	366.502	1.682	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)C23CCC[NH+]2CCC3)C[C@@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001093452437	958090507	/nfs/dbraw/zinc/09/05/07/958090507.db2.gz	IVKFNCLZVUFWFU-YWTNHNAXSA-N	1	0	360.502	1.104	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C)nn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093446785	958096950	/nfs/dbraw/zinc/09/69/50/958096950.db2.gz	LZUFSIWNRRVBLB-UTXMOHQDSA-N	1	0	367.881	1.147	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc4[nH]cnc4c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093446916	958097254	/nfs/dbraw/zinc/09/72/54/958097254.db2.gz	NVDLIVWFIXYASZ-WOCWXWTJSA-N	1	0	369.469	1.724	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)nnc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452449	958101779	/nfs/dbraw/zinc/10/17/79/958101779.db2.gz	IXYUQGXDFFIXKW-XCJLJZCSSA-N	1	0	370.497	1.560	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccc(F)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093449093	958113625	/nfs/dbraw/zinc/11/36/25/958113625.db2.gz	FHEGAFRSLCJDKL-LFGUQSLTSA-N	1	0	359.445	1.363	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc4c[nH]ccc-4n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093449439	958115921	/nfs/dbraw/zinc/11/59/21/958115921.db2.gz	GWYKGFJJSWTTIG-XCJLJZCSSA-N	1	0	366.465	1.776	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc4nc[nH]c4n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093451808	958135387	/nfs/dbraw/zinc/13/53/87/958135387.db2.gz	YOIUTJVQHWBFKG-WOCWXWTJSA-N	1	0	367.453	1.171	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc4nc[nH]c4n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093451807	958135890	/nfs/dbraw/zinc/13/58/90/958135890.db2.gz	YOIUTJVQHWBFKG-VIPLHTEESA-N	1	0	367.453	1.171	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(Cl)n(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093459618	958183786	/nfs/dbraw/zinc/18/37/86/958183786.db2.gz	VEEUNNQNLPFTDR-AHEZYBDSSA-N	1	0	364.877	1.286	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C(C)C)n[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093465351	958202752	/nfs/dbraw/zinc/20/27/52/958202752.db2.gz	JCUVLOJRKRSASM-SOAMZJECSA-N	1	0	358.486	1.746	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnc(C4CC4)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093465567	958204325	/nfs/dbraw/zinc/20/43/25/958204325.db2.gz	IHCIVIUQMOEUHM-IKVWTGGYSA-N	1	0	368.481	1.567	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COC3CCOCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093465626	958205326	/nfs/dbraw/zinc/20/53/26/958205326.db2.gz	IQCJKGVGNNYDLB-IZBJGVDFSA-N	1	0	366.502	1.334	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc4c(c3)COC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093466324	958208914	/nfs/dbraw/zinc/20/89/14/958208914.db2.gz	MTAAZXPXHGKXJJ-XWSHUIEDSA-N	1	0	368.477	1.930	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C(F)F)n[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093467086	958212578	/nfs/dbraw/zinc/21/25/78/958212578.db2.gz	SDRZUTAWESVYAA-ATNYBXOESA-N	1	0	366.412	1.560	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc4c(c3)CCO4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093468322	958218060	/nfs/dbraw/zinc/21/80/60/958218060.db2.gz	YZWFSZTUUAUVTF-RMEPHLEKSA-N	1	0	368.477	1.834	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(CC)CCOCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093470013	958226150	/nfs/dbraw/zinc/22/61/50/958226150.db2.gz	OUEFZXUUICNZKM-DCXXXQMHSA-N	1	0	362.514	1.793	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc(N(C)C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093474176	958247731	/nfs/dbraw/zinc/24/77/31/958247731.db2.gz	QPFCVQXEPXTTEF-JBPLPALLSA-N	1	0	369.509	1.966	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COc3ccsc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093475615	958253720	/nfs/dbraw/zinc/25/37/20/958253720.db2.gz	YXILKHOYZNSADL-ZAWLATJESA-N	1	0	362.495	1.726	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH]nc3C(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452586	958258329	/nfs/dbraw/zinc/25/83/29/958258329.db2.gz	LFQJZSGIJJRELJ-CIWUYKSXSA-N	1	0	358.486	1.746	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(=O)n(C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093453670	958264427	/nfs/dbraw/zinc/26/44/27/958264427.db2.gz	XDPKHKARFHCJKG-HBXLWWENSA-N	1	0	359.470	1.151	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3ccccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093455847	958274172	/nfs/dbraw/zinc/27/41/72/958274172.db2.gz	QQGSXUQOPUOQKY-QCFAMHMHSA-N	1	0	355.482	1.614	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3csnn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093455933	958275587	/nfs/dbraw/zinc/27/55/87/958275587.db2.gz	RVEOWXHAKAUTBH-DNNBLBMLSA-N	1	0	350.488	1.694	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cc(C)nn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093458266	958283061	/nfs/dbraw/zinc/28/30/61/958283061.db2.gz	MRGSSVAVSYNFEC-LFGUQSLTSA-N	1	0	360.502	1.423	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3cccnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093458881	958286266	/nfs/dbraw/zinc/28/62/66/958286266.db2.gz	PUZGLNHUKGWVLB-UKAVVXHISA-N	1	0	355.482	1.614	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(N(C)C)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093481776	958307468	/nfs/dbraw/zinc/30/74/68/958307468.db2.gz	YACXRVAYXRVSSU-ANTGDGSKSA-N	1	0	370.497	1.361	20	30		FDEDRO
C#CCCN1CC(OC2CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)CC2)C1	ZINC001093556717	958344058	/nfs/dbraw/zinc/34/40/58/958344058.db2.gz	DEWVCRUPIHEZIU-QZTJIDSGSA-N	1	0	356.470	1.239	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001093623222	958377744	/nfs/dbraw/zinc/37/77/44/958377744.db2.gz	QJOCXWJTCQHVDN-IUODEOHRSA-N	1	0	369.400	1.691	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001093626756	958382052	/nfs/dbraw/zinc/38/20/52/958382052.db2.gz	RXBNVOKJIAZWKP-SZVBFZGTSA-N	1	0	357.454	1.952	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCCO3)C[C@H]2C)cc1C#N	ZINC001093626819	958382429	/nfs/dbraw/zinc/38/24/29/958382429.db2.gz	UWBISQKELACNDE-LSBZLQRGSA-N	1	0	357.454	1.930	20	30		FDEDRO
C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1	ZINC000962020209	1013174459	/nfs/dbraw/zinc/17/44/59/1013174459.db2.gz	XLOYVWBDBWKAJP-RBGFHDKUSA-N	1	0	350.850	1.087	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001093647856	958425692	/nfs/dbraw/zinc/42/56/92/958425692.db2.gz	IYTYDRNIOWCWEU-QBIMZIAESA-N	1	0	361.417	1.297	20	30		FDEDRO
C#C[C@H]([NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1)[C@@H]1CCCO1	ZINC000775784306	972352763	/nfs/dbraw/zinc/35/27/63/972352763.db2.gz	HSBMPTCQVQDOPG-ROUUACIJSA-N	1	0	355.438	1.912	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001093675264	958523144	/nfs/dbraw/zinc/52/31/44/958523144.db2.gz	MOVATVYRYQKGFX-QGPMSJSTSA-N	1	0	370.453	1.052	20	30		FDEDRO
C#C[C@H](NC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)[C@@H]1CCCO1	ZINC000773209113	958541132	/nfs/dbraw/zinc/54/11/32/958541132.db2.gz	HPIMRUVQTWKAPC-PMACEKPBSA-N	1	0	370.497	1.414	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001093715200	958580586	/nfs/dbraw/zinc/58/05/86/958580586.db2.gz	PQEJLVREVSIBKD-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
CC(C)Cn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC001093722434	958597687	/nfs/dbraw/zinc/59/76/87/958597687.db2.gz	CJOSGOXRJQKBBG-HUUCEWRRSA-N	1	0	369.473	1.632	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)c(C#N)c2)[C@H](C)C1)n1cncn1	ZINC001093725169	958604325	/nfs/dbraw/zinc/60/43/25/958604325.db2.gz	ADENLMCUKCCVDU-CKEIUWERSA-N	1	0	370.432	1.734	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H](C[NH2+]Cc3cccc(C#N)c3)[C@H](C)C2)[nH]1	ZINC001093760321	958697985	/nfs/dbraw/zinc/69/79/85/958697985.db2.gz	CDDBRJRICDBKKC-CXAGYDPISA-N	1	0	352.442	1.412	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nc(C)oc2C)[C@H](C)C1	ZINC001093832927	958927322	/nfs/dbraw/zinc/92/73/22/958927322.db2.gz	JBLGTOLWGIDBIB-BJZITVGISA-N	1	0	358.486	1.573	20	30		FDEDRO
C#C[C@@H]([NH2+]CCC(=O)N1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCCO1	ZINC000775785564	972399146	/nfs/dbraw/zinc/39/91/46/972399146.db2.gz	PYPXYLZFLXFRCP-MOPGFXCFSA-N	1	0	359.445	1.635	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3ccnc3)cn2)C1	ZINC001197752534	972415277	/nfs/dbraw/zinc/41/52/77/972415277.db2.gz	PNXXAMXGZRGDCW-RTBURBONSA-N	1	0	369.469	1.789	20	30		FDEDRO
COc1cnc(C(=O)N2C[C@@H](C[NH2+]Cc3ccccc3C#N)[C@H](C)C2)nc1	ZINC001093906841	959295047	/nfs/dbraw/zinc/29/50/47/959295047.db2.gz	QTEIYCWAGNIJFX-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2C)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093962081	959365966	/nfs/dbraw/zinc/36/59/66/959365966.db2.gz	HZJVBNRHOJUGBG-ATZDWAIDSA-N	1	0	368.481	1.753	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)N2CCCC2=O)C1	ZINC001197768283	972423975	/nfs/dbraw/zinc/42/39/75/972423975.db2.gz	BZIQGULVPNXDAS-BRWVUGGUSA-N	1	0	353.507	1.519	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)N2CCCC2=O)C1	ZINC001197768284	972424023	/nfs/dbraw/zinc/42/40/23/972424023.db2.gz	BZIQGULVPNXDAS-GVDBMIGSSA-N	1	0	353.507	1.519	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1C	ZINC001093975161	959519585	/nfs/dbraw/zinc/51/95/85/959519585.db2.gz	AEBHOHKQWGVIDA-REPJOTQGSA-N	1	0	369.465	1.643	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)Cc3occc3C)C[C@H]2C)C1=O	ZINC001094026704	959547585	/nfs/dbraw/zinc/54/75/85/959547585.db2.gz	NTPJWOWRRHXVPF-BRWVUGGUSA-N	1	0	359.470	1.602	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+][C@H]3CCN(C(C)C)C3=O)[C@H](C)C2)c1	ZINC001094028242	959550520	/nfs/dbraw/zinc/55/05/20/959550520.db2.gz	WJUAIDQHVGRHFR-LZQZEXGQSA-N	1	0	368.481	1.370	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001094046295	959614897	/nfs/dbraw/zinc/61/48/97/959614897.db2.gz	SSHOEMYGRXGSSM-MPESAESLSA-N	1	0	358.417	1.003	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001094048961	959624441	/nfs/dbraw/zinc/62/44/41/959624441.db2.gz	VROQFICBXYIFFS-DQEVTTJGSA-N	1	0	368.481	1.644	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001094055000	959643253	/nfs/dbraw/zinc/64/32/53/959643253.db2.gz	BAVRFJAUCFTNGA-RHSMWYFYSA-N	1	0	352.442	1.493	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C(C)C)[nH]2)[C@H](C)C1	ZINC001094054997	959643350	/nfs/dbraw/zinc/64/33/50/959643350.db2.gz	AVOYWQQDSFYRRO-FPCVCCKLSA-N	1	0	361.490	1.703	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cn(CC3CC3)nn2)[C@H](C)C1	ZINC001094055149	959644438	/nfs/dbraw/zinc/64/44/38/959644438.db2.gz	KWOLGPPKMXGSIS-OPNNQBFTSA-N	1	0	373.501	1.463	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3nccn3CC)[C@H](C)C2)nn1	ZINC001094100931	959671615	/nfs/dbraw/zinc/67/16/15/959671615.db2.gz	DXYBXLZRUIRSSV-HZPDHXFCSA-N	1	0	371.489	1.569	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ccnn3C)[C@H](C)C2)cc1	ZINC001094093209	959762436	/nfs/dbraw/zinc/76/24/36/959762436.db2.gz	KXBMLWJEFAULRH-SJLPKXTDSA-N	1	0	366.465	1.930	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H]3CCN(C)C3=O)[C@H](C)C2)cc1	ZINC001094094207	959767339	/nfs/dbraw/zinc/76/73/39/959767339.db2.gz	KFHNHRJHCVGCNQ-SUMDDJOVSA-N	1	0	369.465	1.227	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3nc(C)c(C)o3)[C@H](C)C2)nn1	ZINC001094095063	959770688	/nfs/dbraw/zinc/77/06/88/959770688.db2.gz	CAWNIYNJCTXFIS-IUODEOHRSA-N	1	0	358.446	1.567	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3cscn3)[C@H](C)C2)nn1	ZINC001094099777	959782313	/nfs/dbraw/zinc/78/23/13/959782313.db2.gz	NHFXPEWMNCGWLP-ZIAGYGMSSA-N	1	0	360.487	1.809	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3cnsn3)[C@H](C)C2)nn1	ZINC001094099900	959782501	/nfs/dbraw/zinc/78/25/01/959782501.db2.gz	RPUKJRIZMIALGZ-CHWSQXEVSA-N	1	0	361.475	1.204	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001094108496	959785986	/nfs/dbraw/zinc/78/59/86/959785986.db2.gz	GPCVQKGBJUQHOA-GDBMZVCRSA-N	1	0	368.441	1.215	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001094132353	959856314	/nfs/dbraw/zinc/85/63/14/959856314.db2.gz	DBMVOAITUTYSMO-CZUORRHYSA-N	1	0	355.417	1.847	20	30		FDEDRO
COc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)cc3)[C@H](C)C2)nn1	ZINC001094149902	959910345	/nfs/dbraw/zinc/91/03/45/959910345.db2.gz	OGHPJRQUWTXYQS-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C[NH2+]Cc2ccn(C)n2)[C@H](C)C1	ZINC001094158803	959929715	/nfs/dbraw/zinc/92/97/15/959929715.db2.gz	ITWPTVJWXBQOCN-HZPDHXFCSA-N	1	0	369.469	1.878	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001094167181	959957551	/nfs/dbraw/zinc/95/75/51/959957551.db2.gz	YFAIMXZTGXENOS-CRAIPNDOSA-N	1	0	351.454	1.719	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H]3CCN(C(C)C)C3=O)[C@H](C)C2)nc1	ZINC001094174711	959978588	/nfs/dbraw/zinc/97/85/88/959978588.db2.gz	QBVQIAWVZZXOOZ-SZVBFZGTSA-N	1	0	368.481	1.370	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(=O)N(C)C)cc2)C1	ZINC001197849825	972473469	/nfs/dbraw/zinc/47/34/69/972473469.db2.gz	CPVOBDRGVSGEFZ-BMGDILEWSA-N	1	0	359.470	1.518	20	30		FDEDRO
CC(=O)N1CC[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)cc3)[C@H](C)C2)C1	ZINC001094193289	960084030	/nfs/dbraw/zinc/08/40/30/960084030.db2.gz	SXGCAQFGPLWWIS-UIAACRFSSA-N	1	0	368.481	1.611	20	30		FDEDRO
C=C(C)CC[NH+]1CC(n2cc(CNC(=O)[C@H]3OCC[C@H]3C(C)C)nn2)C1	ZINC001094292911	960255568	/nfs/dbraw/zinc/25/55/68/960255568.db2.gz	MTWAGTDPCWPDFS-ROUUACIJSA-N	1	0	361.490	1.778	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)CCC[C@@H]12	ZINC001094414995	960404337	/nfs/dbraw/zinc/40/43/37/960404337.db2.gz	ICOPITTVRVLWGV-WRWLIDTKSA-N	1	0	371.485	1.700	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cn(CCOC)nc3C)CCC[C@@H]12	ZINC001094415540	960405820	/nfs/dbraw/zinc/40/58/20/960405820.db2.gz	WLPBRCVTVKNMFN-UYAOXDASSA-N	1	0	358.486	1.836	20	30		FDEDRO
C#C[C@H](NCC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)[C@H]1CCCO1	ZINC000775789305	972502835	/nfs/dbraw/zinc/50/28/35/972502835.db2.gz	CPFNGVBGZJQPES-LEWJYISDSA-N	1	0	369.509	1.800	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4sccn4c3=O)CCC[C@@H]12	ZINC001094463612	960462052	/nfs/dbraw/zinc/46/20/52/960462052.db2.gz	SZOTWQIOJDNEJP-RDTXWAMCSA-N	1	0	358.467	1.916	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1O	ZINC001197903476	972513164	/nfs/dbraw/zinc/51/31/64/972513164.db2.gz	KWDWHSLFOFYTPW-IAGOWNOFSA-N	1	0	359.470	1.695	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4c(c3)nnn4C)CCC[C@@H]12	ZINC001094470690	960634357	/nfs/dbraw/zinc/63/43/57/960634357.db2.gz	RGVDCZFIEIRFLG-VQIMIIECSA-N	1	0	354.458	1.914	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(-n4cnnn4)cn3)CCC[C@@H]12	ZINC001094477854	960650092	/nfs/dbraw/zinc/65/00/92/960650092.db2.gz	LJZPJYSHVLENMO-IEBWSBKVSA-N	1	0	367.457	1.608	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)CCC[C@@H]12	ZINC001094512915	960701431	/nfs/dbraw/zinc/70/14/31/960701431.db2.gz	YDMJLOKJRLNVFL-AXVVYFOYSA-N	1	0	361.486	1.006	20	30		FDEDRO
N#Cc1cc(C[N@@H+]2CC[C@@]3(CNC(=O)c4nnc[nH]4)CCC[C@@H]23)ccc1F	ZINC001094537627	960764406	/nfs/dbraw/zinc/76/44/06/960764406.db2.gz	DHMDEJFRDZQISX-VQIMIIECSA-N	1	0	368.416	1.990	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(CNC(N)=O)cc3)CCC[C@@H]12	ZINC001094575460	960856383	/nfs/dbraw/zinc/85/63/83/960856383.db2.gz	RRTVZSRFDJXLAG-WIYYLYMNSA-N	1	0	368.481	1.853	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2ccncc2)C[C@H]1C	ZINC001181508353	960886706	/nfs/dbraw/zinc/88/67/06/960886706.db2.gz	VSMZXSSLIORZCS-LNNXQNCSSA-N	1	0	370.497	1.562	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cccn4c(=O)[nH]nc34)CCC[C@@H]12	ZINC001094558699	960912960	/nfs/dbraw/zinc/91/29/60/960912960.db2.gz	QFMLPDYTDOTUHH-DNVCBOLYSA-N	1	0	353.426	1.433	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2cccc(F)c2C#N)C[C@@H]1[NH+]1CCCC1	ZINC000773308688	960980436	/nfs/dbraw/zinc/98/04/36/960980436.db2.gz	SSKAJGRJMJBYDQ-LSDHHAIUSA-N	1	0	369.487	1.898	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2OCC[C@H]2CC)C[C@H]1C	ZINC001181800862	961124879	/nfs/dbraw/zinc/12/48/79/961124879.db2.gz	DNOLRXQCIINDFN-IIHSZXCVSA-N	1	0	351.491	1.178	20	30		FDEDRO
C=C(C)CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3C[C@H]3c3ccco3)CC2=O)C1	ZINC001094789280	961167896	/nfs/dbraw/zinc/16/78/96/961167896.db2.gz	YXSWAFFHFBIVEM-DJIMGWMZSA-N	1	0	357.454	1.751	20	30		FDEDRO
C[N@@H+]1C[C@H](C(=O)NCCCNc2cncc(C#N)n2)[C@@H](c2ccccc2)C1	ZINC001094796093	961180334	/nfs/dbraw/zinc/18/03/34/961180334.db2.gz	AAQRQUTVUJQNAK-MSOLQXFVSA-N	1	0	364.453	1.612	20	30		FDEDRO
C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCCNc2ccc(C#N)nc2)CC1	ZINC001094835761	961231931	/nfs/dbraw/zinc/23/19/31/961231931.db2.gz	FUZHDSKWEAQOCW-MOPGFXCFSA-N	1	0	371.485	1.618	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(C(=O)C#Cc3ccc(OC)cc3)CC[C@@H]2C1	ZINC001182047154	961352195	/nfs/dbraw/zinc/35/21/95/961352195.db2.gz	ZEICJUDNOZJKMS-UYAOXDASSA-N	1	0	372.465	1.242	20	30		FDEDRO
C[C@H]1C(=O)OC[C@@H]1C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1	ZINC001182085730	961420367	/nfs/dbraw/zinc/42/03/67/961420367.db2.gz	CPAOGWZSVMVOLZ-PILAGYSTSA-N	1	0	355.438	1.966	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+][C@H]3CCN4C(=O)CC[C@@H]4C3)CC2)cc1	ZINC001172164041	961523143	/nfs/dbraw/zinc/52/31/43/961523143.db2.gz	XPTILNCXLKGMND-RBUKOAKNSA-N	1	0	366.465	1.906	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H]2O[C@@H](C(=O)N3CCOCC3)C[C@H]21	ZINC001172305364	961615556	/nfs/dbraw/zinc/61/55/56/961615556.db2.gz	RRNPNXTYMDSQRZ-YGWPLHOASA-N	1	0	369.465	1.580	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC(C(=O)N2CCN(C)CC2)CC1	ZINC001172319321	961620351	/nfs/dbraw/zinc/62/03/51/961620351.db2.gz	MPSMKONNDPSIPB-QGZVFWFLSA-N	1	0	354.498	1.975	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)Cn2ncc3cc(C)cnc32)c1C#N	ZINC001182252765	961657565	/nfs/dbraw/zinc/65/75/65/961657565.db2.gz	HFNYLWQIWNWZTA-UHFFFAOYSA-N	1	0	352.402	1.125	20	30		FDEDRO
CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CC[N@@H+]([C@H](C)CCCC#N)C2	ZINC001172495303	961686102	/nfs/dbraw/zinc/68/61/02/961686102.db2.gz	OYMAPEWFSFJZCE-UZLBHIALSA-N	1	0	369.469	1.804	20	30		FDEDRO
CCOC(=O)[C@H](CCC[NH3+])N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1	ZINC001172969474	961855527	/nfs/dbraw/zinc/85/55/27/961855527.db2.gz	WRRGURZFAJDRCG-ILXRZTDVSA-N	1	0	368.478	1.538	20	30		FDEDRO
CCC(=O)N1CC[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1	ZINC001172974719	961857718	/nfs/dbraw/zinc/85/77/18/961857718.db2.gz	RWBBNXRPXAVKPC-KKUMJFAQSA-N	1	0	350.463	1.879	20	30		FDEDRO
CNC(=O)N1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1	ZINC001172973329	961858024	/nfs/dbraw/zinc/85/80/24/961858024.db2.gz	GFJFLSZFJBZOSO-GJZGRUSLSA-N	1	0	365.478	1.671	20	30		FDEDRO
C[N@H+](C1CN([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1)[C@@H]1CCOC1	ZINC001172989680	961871053	/nfs/dbraw/zinc/87/10/53/961871053.db2.gz	JMXPPMHZOWYUKB-OAGGEKHMSA-N	1	0	364.490	1.683	20	30		FDEDRO
O=C(NCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1N=CC=CC1=O	ZINC000774245488	961908569	/nfs/dbraw/zinc/90/85/69/961908569.db2.gz	UVMSUONKWUCQMV-SDGVZRARSA-N	1	0	374.401	1.391	20	30		FDEDRO
COCCNC(=O)[C@@H]1Cn2nccc2C[N@@H+](C2CCC(CC#N)CC2)C1	ZINC001173335958	962008850	/nfs/dbraw/zinc/00/88/50/962008850.db2.gz	IMFDXEHSRZQMMA-CGZBRXJRSA-N	1	0	359.474	1.550	20	30		FDEDRO
N#CCC1CCC([NH2+]Cc2ccnc(N3CCS(=O)(=O)CC3)c2)CC1	ZINC001173334346	962009081	/nfs/dbraw/zinc/00/90/81/962009081.db2.gz	VSKHCJSZBTWVNO-UHFFFAOYSA-N	1	0	362.499	1.878	20	30		FDEDRO
C#CCOCCOCC[NH2+]C1CCN(C(=O)c2ccc(OC)cc2)CC1	ZINC001173401088	962080218	/nfs/dbraw/zinc/08/02/18/962080218.db2.gz	AXHMXWXJLPGCNX-UHFFFAOYSA-N	1	0	360.454	1.556	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH+]3CCC(NC(N)=O)CC3)CC2)cc1	ZINC001173427823	962139720	/nfs/dbraw/zinc/13/97/20/962139720.db2.gz	CHMJDYDFMXAKTO-UHFFFAOYSA-N	1	0	355.442	1.296	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH+]3CCN([C@@H]4CCOC4)CC3)CC2)cc1	ZINC001173428944	962143770	/nfs/dbraw/zinc/14/37/70/962143770.db2.gz	NZFKWNAIXYNJRJ-HXUWFJFHSA-N	1	0	368.481	1.569	20	30		FDEDRO
CC(=O)N1CC[N@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C[C@@H]1C	ZINC001173433877	962152532	/nfs/dbraw/zinc/15/25/32/962152532.db2.gz	AGJDFALTXKOTSA-HNNXBMFYSA-N	1	0	354.454	1.715	20	30		FDEDRO
C=CCOCc1nn(C)c2c1CN(C(=O)[C@@H]1CCC[N@@H+]1CC1CC1)CC2	ZINC001182555578	962279241	/nfs/dbraw/zinc/27/92/41/962279241.db2.gz	AMOTXQOLJXHDIJ-IBGZPJMESA-N	1	0	358.486	1.882	20	30		FDEDRO
C#CC(C)(C)C(=O)N(c1nc(N2CCCC2)nc2c1C[NH2+]CC2)C1CC1	ZINC001182636868	962352267	/nfs/dbraw/zinc/35/22/67/962352267.db2.gz	VWXVVIQFEBBBFD-UHFFFAOYSA-N	1	0	353.470	1.877	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NCCCC)C1	ZINC001182684414	962430318	/nfs/dbraw/zinc/43/03/18/962430318.db2.gz	DUBHZOODMGXCID-PDOICOKGSA-N	1	0	365.518	1.568	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]Cc1ccc(I)c(C)c1	ZINC000819284477	962490998	/nfs/dbraw/zinc/49/09/98/962490998.db2.gz	QQZYMIANUPNGGU-UHFFFAOYSA-N	1	0	356.207	1.829	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1	ZINC001183224625	962911615	/nfs/dbraw/zinc/91/16/15/962911615.db2.gz	GSKFASOPIDPZHR-HOTGVXAUSA-N	1	0	365.499	1.428	20	30		FDEDRO
O=C(C#Cc1ccc2c(c1)OCO2)N1CCC[C@@H]([NH+]2CCOCC2)CC1	ZINC000773415210	962962804	/nfs/dbraw/zinc/96/28/04/962962804.db2.gz	MSNJIBRZNCXTKO-QGZVFWFLSA-N	1	0	356.422	1.480	20	30		FDEDRO
COc1ccc([C@@H]2C[C@H]2CC(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)cc1	ZINC001183377539	963024937	/nfs/dbraw/zinc/02/49/37/963024937.db2.gz	DPKZAXWHPPWXSO-JZXOWHBKSA-N	1	0	370.453	1.019	20	30		FDEDRO
C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1	ZINC001175236049	963103746	/nfs/dbraw/zinc/10/37/46/963103746.db2.gz	IRNRZNJJLZFKQI-ZACQAIPSSA-N	1	0	353.507	1.853	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCN1CCCC1=O	ZINC001175348081	963141214	/nfs/dbraw/zinc/14/12/14/963141214.db2.gz	AFOUZLZYJFXDPV-KURKYZTESA-N	1	0	365.518	1.855	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)N(C)C1CC1	ZINC001175350616	963160082	/nfs/dbraw/zinc/16/00/82/963160082.db2.gz	QMZBKHDPUKJOHR-UAGQMJEPSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1nnc(CC)n1C	ZINC001175358720	963163871	/nfs/dbraw/zinc/16/38/71/963163871.db2.gz	NQBVBRHWUFFYTR-XHSDSOJGSA-N	1	0	363.506	1.733	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NCC1CC1	ZINC001175360148	963165498	/nfs/dbraw/zinc/16/54/98/963165498.db2.gz	ZDLMZSRUTMGQLZ-UAGQMJEPSA-N	1	0	351.491	1.368	20	30		FDEDRO
Cn1nccc1C1(O)CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1	ZINC001175853129	963308823	/nfs/dbraw/zinc/30/88/23/963308823.db2.gz	AVJOPJDTAVLAER-UHFFFAOYSA-N	1	0	353.426	1.604	20	30		FDEDRO
C#C[C@H](NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)[C@H]1CCCO1	ZINC000773551331	963386561	/nfs/dbraw/zinc/38/65/61/963386561.db2.gz	ZVFUXPQFSQEVGB-RBUKOAKNSA-N	1	0	363.502	1.701	20	30		FDEDRO
N#Cc1ccc(NC(=O)N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)cc1	ZINC001184725223	963703160	/nfs/dbraw/zinc/70/31/60/963703160.db2.gz	HSGGDVUFXYMSBS-IRXDYDNUSA-N	1	0	364.409	1.718	20	30		FDEDRO
C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)CN(CCC#N)C(=O)OC(C)(C)C)C2	ZINC001184855781	963739116	/nfs/dbraw/zinc/73/91/16/963739116.db2.gz	JHRUXMWHGGCOCX-RDTXWAMCSA-N	1	0	350.463	1.547	20	30		FDEDRO
N#CCNC(=O)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@]12C[C@H]1CCC2	ZINC001177368570	963782287	/nfs/dbraw/zinc/78/22/87/963782287.db2.gz	MNEBPGYTMRTXJR-YLJYHZDGSA-N	1	0	360.502	1.815	20	30		FDEDRO
CO/N=C(\C(=O)NC1(C(=O)OC(C)(C)C)CCC([NH3+])CC1)c1ccco1	ZINC001177353354	963796117	/nfs/dbraw/zinc/79/61/17/963796117.db2.gz	KVNBLDSAZHCERA-STZFKDTASA-N	1	0	365.430	1.728	20	30		FDEDRO
O=C(C#Cc1cccnc1)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001177777533	963950079	/nfs/dbraw/zinc/95/00/79/963950079.db2.gz	PQLKOICCEOLCKA-UYAOXDASSA-N	1	0	365.408	1.936	20	30		FDEDRO
O=C(C#Cc1ccccn1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001177800622	963974016	/nfs/dbraw/zinc/97/40/16/963974016.db2.gz	CQQITXFTBBMGNR-WOJBJXKFSA-N	1	0	362.433	1.330	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2cccc(CC)c2)C1	ZINC001185749878	964104376	/nfs/dbraw/zinc/10/43/76/964104376.db2.gz	OIAKCBNJXVEVAY-QRVBRYPASA-N	1	0	371.481	1.969	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nn2c(nc(C)cc2=O)s1	ZINC001110371666	964160955	/nfs/dbraw/zinc/16/09/55/964160955.db2.gz	VKMILSQCEGGNCO-MCIONIFRSA-N	1	0	373.482	1.647	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)C(CC)CC)C2	ZINC001110219800	964216110	/nfs/dbraw/zinc/21/61/10/964216110.db2.gz	AHZNFYJXXIZTAS-IKGGRYGDSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001178450211	964222895	/nfs/dbraw/zinc/22/28/95/964222895.db2.gz	XVZSIUPPWJUKCF-HZPDHXFCSA-N	1	0	366.462	1.118	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](n2cc(C[NH2+]CCCF)nn2)C1	ZINC001186008061	964250590	/nfs/dbraw/zinc/25/05/90/964250590.db2.gz	NYZFZAHRJPUXHA-ZACQAIPSSA-N	1	0	365.453	1.482	20	30		FDEDRO
C#CCC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3C3CCC3)C2)nn1	ZINC001186019260	964256475	/nfs/dbraw/zinc/25/64/75/964256475.db2.gz	OMQDAKFUCCTAGF-CEXWTWQISA-N	1	0	355.486	1.991	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCCCCCC[NH2+]CCS(C)(=O)=O	ZINC001178509026	964261998	/nfs/dbraw/zinc/26/19/98/964261998.db2.gz	CJBOLAJDSCCUKM-CVEARBPZSA-N	1	0	360.520	1.278	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCCCCCC[NH2+][C@H]1CCCNC1=O	ZINC001178509859	964263664	/nfs/dbraw/zinc/26/36/64/964263664.db2.gz	ZFDXIMQHWOJMDF-IKGGRYGDSA-N	1	0	351.491	1.512	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCCCCCC[NH2+][C@H](C)C(=O)N(C)C	ZINC001178513522	964265072	/nfs/dbraw/zinc/26/50/72/964265072.db2.gz	RNIZPLSNRNNJQH-ZACQAIPSSA-N	1	0	353.507	1.711	20	30		FDEDRO
COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](Oc3ccc(C#N)cc3)C2)C1	ZINC001186106929	964300797	/nfs/dbraw/zinc/30/07/97/964300797.db2.gz	KEKVEQBBIFHVRM-FUHWJXTLSA-N	1	0	371.437	1.423	20	30		FDEDRO
C[C@H]1[C@@H]([NH2+]CC#Cc2ccccc2)CCN1C(=O)[C@H]1C[C@@H](C)CC(=O)N1	ZINC001178721735	964359747	/nfs/dbraw/zinc/35/97/47/964359747.db2.gz	IUJQHUWHTAAEGJ-KCITZHQASA-N	1	0	353.466	1.532	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC12CCOCC2	ZINC001186425520	964504110	/nfs/dbraw/zinc/50/41/10/964504110.db2.gz	UHOCQYWHKSABTM-QKDSSNGWSA-N	1	0	358.482	1.278	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@]23CCC[C@H]2OCC3)CC12CCOCC2	ZINC001186425830	964504232	/nfs/dbraw/zinc/50/42/32/964504232.db2.gz	YIHXWGVWXZBGFS-OPYAIIAOSA-N	1	0	360.498	1.814	20	30		FDEDRO
COCC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[C@@H](C)O2)CC12CCOCC2	ZINC001186506306	964534215	/nfs/dbraw/zinc/53/42/15/964534215.db2.gz	ZMVIYAXTBPSJSB-FGTMMUONSA-N	1	0	364.486	1.049	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	ZINC001179059973	964658500	/nfs/dbraw/zinc/65/85/00/964658500.db2.gz	RGUDNHLFKNWNDP-XYJFISCASA-N	1	0	351.491	1.370	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1CCCO1	ZINC000773790787	964680631	/nfs/dbraw/zinc/68/06/31/964680631.db2.gz	RGUPHGWZRHBCGB-MOPGFXCFSA-N	1	0	369.465	1.560	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001179081233	964706439	/nfs/dbraw/zinc/70/64/39/964706439.db2.gz	ZGZQXEGNLHASGZ-RFSXOUPVSA-N	1	0	363.502	1.367	20	30		FDEDRO
C#C[C@H](C)NC(=O)[C@H]1C[N@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1	ZINC001179156388	964751896	/nfs/dbraw/zinc/75/18/96/964751896.db2.gz	PBMSGEQEUODJDW-LSDHHAIUSA-N	1	0	365.474	1.225	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCOCC(F)(F)F	ZINC001110384899	964781577	/nfs/dbraw/zinc/78/15/77/964781577.db2.gz	CJWDIFOXPBITKH-MCIONIFRSA-N	1	0	350.381	1.880	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2nnc3n2CCCC3)C1	ZINC000962321345	1013530545	/nfs/dbraw/zinc/53/05/45/1013530545.db2.gz	KQGLLEOQVWZVDH-FJBKBRRZSA-N	1	0	359.474	1.190	20	30		FDEDRO
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2ccccc2C[C@H]1C[NH3+]	ZINC001179589506	964918233	/nfs/dbraw/zinc/91/82/33/964918233.db2.gz	BORPIWKRIKOQEF-IRXDYDNUSA-N	1	0	357.454	1.815	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+]CCCN1CCCC1=O	ZINC001179637913	964942085	/nfs/dbraw/zinc/94/20/85/964942085.db2.gz	DXGLVLATYAFALU-MSOLQXFVSA-N	1	0	365.518	1.856	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)[C@H]1C	ZINC001179692914	964946235	/nfs/dbraw/zinc/94/62/35/964946235.db2.gz	VZZQBHGDLQGXPQ-DKXUYOFUSA-N	1	0	353.466	1.509	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCCCCC[NH2+]Cc1cnnn1C	ZINC001179780971	964974528	/nfs/dbraw/zinc/97/45/28/964974528.db2.gz	BOHFHSZZCZWLFJ-ROUUACIJSA-N	1	0	363.506	1.953	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCCCC[NH2+][C@H](C)C(=O)N(C)C	ZINC001179797316	964993199	/nfs/dbraw/zinc/99/31/99/964993199.db2.gz	WHCVLNARWAJXJH-IKGGRYGDSA-N	1	0	353.507	1.711	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCCCC[NH2+]CC(=O)NCC1CC1	ZINC001179797202	964993227	/nfs/dbraw/zinc/99/32/27/964993227.db2.gz	QIGSESUTYYPPNF-HKUYNNGSSA-N	1	0	365.518	1.760	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCCCC[NH2+]CCN1CCCC1=O	ZINC001179797315	964993334	/nfs/dbraw/zinc/99/33/34/964993334.db2.gz	WFMDXINZBCOTKR-HKUYNNGSSA-N	1	0	365.518	1.856	20	30		FDEDRO
N#CCCCOc1cccc(C[NH2+]C[C@@]2(CO)COC[C@@H]3CCCN32)c1	ZINC001179815651	965002721	/nfs/dbraw/zinc/00/27/21/965002721.db2.gz	IPXJEEVWVDEFOY-AZUAARDMSA-N	1	0	359.470	1.684	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H]([NH+]2CCC(NC(=O)OC(C)(C)C)CC2)C1	ZINC001179896507	965021442	/nfs/dbraw/zinc/02/14/42/965021442.db2.gz	PHGIQZDQIMAUNU-HIFRSBDPSA-N	1	0	350.463	1.736	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)Cc2nc(N)n[nH]2)[C@H]2CC[C@H]([NH3+])CC2)cc1	ZINC001180252238	965180082	/nfs/dbraw/zinc/18/00/82/965180082.db2.gz	YONRXDKODIHLIK-SHTZXODSSA-N	1	0	353.430	1.100	20	30		FDEDRO
COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NC1=CC(=O)CCC1	ZINC001180407843	965313223	/nfs/dbraw/zinc/31/32/23/965313223.db2.gz	AOEFSXIPCPWZAG-ZWKOTPCHSA-N	1	0	356.422	1.661	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1	ZINC001187456626	965370252	/nfs/dbraw/zinc/37/02/52/965370252.db2.gz	UOECTNKOSFHXJR-FUHWJXTLSA-N	1	0	369.469	1.457	20	30		FDEDRO
C=CCSCC(=O)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1	ZINC001180558966	965399131	/nfs/dbraw/zinc/39/91/31/965399131.db2.gz	BHDVUGKQHJIWDR-GUYCJALGSA-N	1	0	351.447	1.994	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C(N)=O)cc3)C[C@H]21	ZINC001187479716	965411223	/nfs/dbraw/zinc/41/12/23/965411223.db2.gz	JJWZSVSMZHZLCU-RBUKOAKNSA-N	1	0	371.481	1.801	20	30		FDEDRO
CCC(C)(C)NC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1	ZINC001187598177	965517854	/nfs/dbraw/zinc/51/78/54/965517854.db2.gz	GSSRAZHUEYTPGH-GRDNDAEWSA-N	1	0	371.485	1.726	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCCC(F)(F)C3)C[C@H]21	ZINC001187605852	965557086	/nfs/dbraw/zinc/55/70/86/965557086.db2.gz	VSSVGTZQGHBTEU-HRCADAONSA-N	1	0	367.440	1.484	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H](CC#N)C(=O)n1ccc([C@@H]2CCC[NH2+]2)nc1=N	ZINC001180781997	965592970	/nfs/dbraw/zinc/59/29/70/965592970.db2.gz	YWHRRWXCKUWNDA-AAEUAGOBSA-N	1	0	360.418	1.234	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](CCOc3ccc(C)cc3)C[C@H]21	ZINC001187864883	965807042	/nfs/dbraw/zinc/80/70/42/965807042.db2.gz	FXIKTZIUZCCASO-CMKODMSKSA-N	1	0	356.466	1.945	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C(N)=O)c3)C[C@H]21	ZINC001187833520	965827287	/nfs/dbraw/zinc/82/72/87/965827287.db2.gz	RCJNDFKFDLSIMU-ZWKOTPCHSA-N	1	0	353.466	1.868	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc4nonc4c3)C[C@H]21	ZINC001187874182	965869145	/nfs/dbraw/zinc/86/91/45/965869145.db2.gz	OHVGQYXSPCEDFF-MAUKXSAKSA-N	1	0	354.410	1.295	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)COCC3CCCC3)[C@@H]2C1	ZINC001188229793	966139409	/nfs/dbraw/zinc/13/94/09/966139409.db2.gz	AOSFEFGHGFYOGE-RYQLBKOJSA-N	1	0	363.502	1.417	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)COC/C=C\c3ccccc3)[C@@H]2C1	ZINC001188328893	966204728	/nfs/dbraw/zinc/20/47/28/966204728.db2.gz	CCTHKOQOWXKDGA-XJTQXBNASA-N	1	0	368.477	1.899	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccccc3CC)[C@@H]2C1	ZINC001188308267	966233479	/nfs/dbraw/zinc/23/34/79/966233479.db2.gz	WBWQPXSWOLUDJK-LSTHTHJFSA-N	1	0	367.493	1.462	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc4n[nH]cc4c3)[C@@H]2C1	ZINC001188535620	966407196	/nfs/dbraw/zinc/40/71/96/966407196.db2.gz	FVVMSSJQCCABQK-QFBILLFUSA-N	1	0	352.438	1.288	20	30		FDEDRO
CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)c2cccc(CC#N)c2)CC1	ZINC001188675473	966489140	/nfs/dbraw/zinc/48/91/40/966489140.db2.gz	GNXLTHZJALOOHO-UHFFFAOYSA-N	1	0	368.481	1.911	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4ccccc4[nH]c3=O)[C@@H]2C1	ZINC001188724599	966538610	/nfs/dbraw/zinc/53/86/10/966538610.db2.gz	WXJSFFOPGVPWAV-QFBILLFUSA-N	1	0	365.433	1.737	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4ccccc4nn3)[C@@H]2C1	ZINC001188744945	966553860	/nfs/dbraw/zinc/55/38/60/966553860.db2.gz	WHYCOBBZGHLPDA-QFBILLFUSA-N	1	0	352.438	1.979	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccnc4c3nnn4C)[C@@H]2C1	ZINC001188941967	966657813	/nfs/dbraw/zinc/65/78/13/966657813.db2.gz	MSTLMTCRGFFYRX-OFQRWUPVSA-N	1	0	354.458	1.864	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cccc(C)c3)[C@@H]2C1	ZINC001188991386	966689263	/nfs/dbraw/zinc/68/92/63/966689263.db2.gz	CWEKWELCZWJZNO-NZSAHSFTSA-N	1	0	353.466	1.208	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1	ZINC001189034330	966709006	/nfs/dbraw/zinc/70/90/06/966709006.db2.gz	IBBQXSNIKPCLKE-FUHWJXTLSA-N	1	0	356.470	1.551	20	30		FDEDRO
COc1ccc(C#N)c(C(=O)N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)c1	ZINC001189076105	966750241	/nfs/dbraw/zinc/75/02/41/966750241.db2.gz	NNHAEWTWDJVGIV-CQSZACIVSA-N	1	0	353.426	1.597	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4ccnc4)nn3)[C@@H]2C1	ZINC001189406205	966958039	/nfs/dbraw/zinc/95/80/39/966958039.db2.gz	JOTWPTUONNEWMW-DOTOQJQBSA-N	1	0	352.442	1.775	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2C1	ZINC001189425759	966970413	/nfs/dbraw/zinc/97/04/13/966970413.db2.gz	PLCSXQFOYFOFGR-HHXXYDBFSA-N	1	0	354.450	1.806	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc4nc(C)[nH]c43)[C@@H]2C1	ZINC001189653025	967165382	/nfs/dbraw/zinc/16/53/82/967165382.db2.gz	QTTNMAYSSTZASL-MAUKXSAKSA-N	1	0	352.438	1.667	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CC2CC1(CNC(=O)OC(C)(C)C)C2	ZINC000852359051	967250179	/nfs/dbraw/zinc/25/01/79/967250179.db2.gz	BASWIDJJPCECLR-UHFFFAOYSA-N	1	0	364.490	1.640	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc4ccccc4n3)[C@@H]2C1	ZINC001189829831	967289863	/nfs/dbraw/zinc/28/98/63/967289863.db2.gz	TZPZSNYTNGHTLX-PKOBYXMFSA-N	1	0	354.454	1.772	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(c3)C(=O)NC4=O)[C@@H]2C1	ZINC001189843716	967343709	/nfs/dbraw/zinc/34/37/09/967343709.db2.gz	JYMUYDHDMBZHFS-WMLDXEAASA-N	1	0	353.422	1.683	20	30		FDEDRO
CON(C)C(=O)CC[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000852489853	967368330	/nfs/dbraw/zinc/36/83/30/967368330.db2.gz	HUOHJMXMJSDBBW-UHFFFAOYSA-N	1	0	368.441	1.480	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)COc3ccccc3)[C@@H]2C1	ZINC001189930767	967379989	/nfs/dbraw/zinc/37/99/89/967379989.db2.gz	COLYWTMMTJEVRY-SOLBZPMBSA-N	1	0	357.454	1.289	20	30		FDEDRO
C=CC[N@@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)C(C)(C)C	ZINC000852554125	967421581	/nfs/dbraw/zinc/42/15/81/967421581.db2.gz	CXTLMLHIGFILSJ-UHFFFAOYSA-N	1	0	350.463	1.949	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(OC)ncnc1OC)C2	ZINC001111507855	967463582	/nfs/dbraw/zinc/46/35/82/967463582.db2.gz	WVSHDQNGVFWTNS-MCIONIFRSA-N	1	0	362.430	1.032	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CS(=O)(=O)N(C)C)[C@@H]2C1	ZINC001189998887	967489054	/nfs/dbraw/zinc/48/90/54/967489054.db2.gz	KEYGBQVFYFHQDZ-JKSUJKDBSA-N	1	0	359.536	1.381	20	30		FDEDRO
COC(=O)N(C)CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000852661667	967512161	/nfs/dbraw/zinc/51/21/61/967512161.db2.gz	AZTHSYUQMGYSOO-UHFFFAOYSA-N	1	0	373.457	1.474	20	30		FDEDRO
C#CCNC(=O)CC[NH+]1CCC(Cc2nc(C3(OC)CCCC3)no2)CC1	ZINC000852786130	967605916	/nfs/dbraw/zinc/60/59/16/967605916.db2.gz	DLQMGNBPQJJHFV-UHFFFAOYSA-N	1	0	374.485	1.879	20	30		FDEDRO
CC[C@@]1(c2ccc(NC(=O)C#CC3CC[NH2+]CC3)cc2)CCC(=O)NC1=O	ZINC000852808400	967622316	/nfs/dbraw/zinc/62/23/16/967622316.db2.gz	VGZGDZCJYSGNEP-NRFANRHFSA-N	1	0	367.449	1.713	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1	ZINC000852816794	967629853	/nfs/dbraw/zinc/62/98/53/967629853.db2.gz	GFNBPNADVVWKPC-UHFFFAOYSA-N	1	0	372.444	1.941	20	30		FDEDRO
C=CC[C@@]1(C(=O)N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)CCC[NH2+]1	ZINC000852817021	967630143	/nfs/dbraw/zinc/63/01/43/967630143.db2.gz	MRVATKREJOFRFQ-GUYCJALGSA-N	1	0	351.472	1.934	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCN(CCCOCC(F)(F)F)CC1	ZINC000852823964	967635251	/nfs/dbraw/zinc/63/52/51/967635251.db2.gz	NCAGQQMILJKSSG-UHFFFAOYSA-N	1	0	361.408	1.103	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3csc4nccn34)[C@@H]2C1	ZINC001190184186	967635604	/nfs/dbraw/zinc/63/56/04/967635604.db2.gz	COYGKLYEXUCVMH-GOEBONIOSA-N	1	0	360.483	1.674	20	30		FDEDRO
N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2	ZINC000852827190	967638618	/nfs/dbraw/zinc/63/86/18/967638618.db2.gz	CNFRAUWGVCVPRV-WWNBULGVSA-N	1	0	368.437	1.263	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCCN(C(=O)Oc2ccccc2)CC1	ZINC000852829765	967640605	/nfs/dbraw/zinc/64/06/05/967640605.db2.gz	OFRJYGMSQVYEAK-UHFFFAOYSA-N	1	0	355.438	1.723	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CCCN(c2ccccc2Cl)C1=O	ZINC000852847013	967653576	/nfs/dbraw/zinc/65/35/76/967653576.db2.gz	MYJHADCAELQYEE-MRXNPFEDSA-N	1	0	359.857	1.955	20	30		FDEDRO
CN(CCN1CCN(c2ccccc2)CC1)C(=O)C#CC1CC[NH2+]CC1	ZINC000852873591	967681099	/nfs/dbraw/zinc/68/10/99/967681099.db2.gz	ZGPYXTCCWXKLIC-UHFFFAOYSA-N	1	0	354.498	1.270	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]nc4ccccc43)[C@@H]2C1	ZINC001190318696	967732599	/nfs/dbraw/zinc/73/25/99/967732599.db2.gz	SFHSBTOIIVFTLW-HNAYVOBHSA-N	1	0	354.454	1.841	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC#Cc3ccccc3)[C@@H]2C1	ZINC001190289667	967741386	/nfs/dbraw/zinc/74/13/86/967741386.db2.gz	HNRWXFXBONZAGJ-YZGWKJHDSA-N	1	0	365.477	1.652	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCCn4cccc4)[C@@H]3C2)C1=O	ZINC001190297160	967744700	/nfs/dbraw/zinc/74/47/00/967744700.db2.gz	DVOBFEQWXXRDPY-GBESFXJTSA-N	1	0	370.497	1.588	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1C[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1	ZINC001190363629	967783746	/nfs/dbraw/zinc/78/37/46/967783746.db2.gz	UGYRQTJYPQFCPO-ZWKOTPCHSA-N	1	0	364.534	1.284	20	30		FDEDRO
COc1ccc(N2CC[NH+](CCCNc3cc(C#N)cnn3)CC2)cc1	ZINC000853095207	967828255	/nfs/dbraw/zinc/82/82/55/967828255.db2.gz	JLGLPKKNNROYCD-UHFFFAOYSA-N	1	0	352.442	1.981	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc4c(c3)nnn4C)C[C@H]21	ZINC001190440950	967853074	/nfs/dbraw/zinc/85/30/74/967853074.db2.gz	MJRBBIHOCMSMTI-SIXWZSSISA-N	1	0	369.469	1.592	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C(=O)NC)cc3)C[C@H]21	ZINC001190441365	967854284	/nfs/dbraw/zinc/85/42/84/967854284.db2.gz	SILUWVSVLYNFIT-AYOQOUSVSA-N	1	0	371.481	1.670	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(C(=O)NCCNc2ncccc2C#N)CCO1	ZINC000853482106	968044770	/nfs/dbraw/zinc/04/47/70/968044770.db2.gz	QMQXWPBNYZZBCV-MRXNPFEDSA-N	1	0	360.462	1.117	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)CN(C[N@@H+]3CC[C@H]4COC[C@H]4C3)C2=O)cc1	ZINC000853588743	968152997	/nfs/dbraw/zinc/15/29/97/968152997.db2.gz	RBIGCINMXFNYCG-DLBZAZTESA-N	1	0	354.410	1.248	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(C(=O)NCc2ccc(OCC#N)cc2)CCO1	ZINC000853652541	968225943	/nfs/dbraw/zinc/22/59/43/968225943.db2.gz	OXGFLNNZZWIJGN-GOSISDBHSA-N	1	0	360.458	1.841	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@H]1CON=C(N)c1ccc(S(C)(=O)=O)cc1	ZINC000853662994	968232440	/nfs/dbraw/zinc/23/24/40/968232440.db2.gz	POCCMWKRCWCBQC-HNNXBMFYSA-N	1	0	353.488	1.990	20	30		FDEDRO
C#CCOCCN(C1CC1)S(=O)(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000853679519	968244663	/nfs/dbraw/zinc/24/46/63/968244663.db2.gz	ARLZYZITPWDAJP-IBGZPJMESA-N	1	0	362.495	1.705	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCCC2N=NC(=S)N2CC)CC1	ZINC000853690960	968253099	/nfs/dbraw/zinc/25/30/99/968253099.db2.gz	TUBAWTMRASFGED-UHFFFAOYSA-N	1	0	352.508	1.469	20	30		FDEDRO
C=CCCn1cc(C(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)nn1	ZINC000644573290	1013826724	/nfs/dbraw/zinc/82/67/24/1013826724.db2.gz	NVIALWIHVRUCHO-UHFFFAOYSA-N	1	0	356.430	1.398	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H](CNc2ccnc(C#N)n2)C2CCCC2)CC[N@@H+]1C	ZINC001110683794	968835351	/nfs/dbraw/zinc/83/53/51/968835351.db2.gz	MXBHBJROUISOMS-GVDBMIGSSA-N	1	0	370.501	1.587	20	30		FDEDRO
C=CC[C@]1(C(=O)N[C@@H](CO)C[NH+](C)C)CCCN1C(=O)OC(C)(C)C	ZINC000854464957	968912973	/nfs/dbraw/zinc/91/29/73/968912973.db2.gz	NFQSCQNNDNZEQD-RDTXWAMCSA-N	1	0	355.479	1.371	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCCc2ccccc2OC)C[C@H]1O	ZINC001192531609	969176811	/nfs/dbraw/zinc/17/68/11/969176811.db2.gz	YRYZMWVBCYJABV-MBOZVWFJSA-N	1	0	362.470	1.116	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)o1	ZINC001192677046	969226783	/nfs/dbraw/zinc/22/67/83/969226783.db2.gz	XYQUCYPJXYJTLY-NVXWUHKLSA-N	1	0	352.394	1.662	20	30		FDEDRO
C[C@H](CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1)OCc1ccccc1	ZINC001192821115	969315107	/nfs/dbraw/zinc/31/51/07/969315107.db2.gz	HUEMYTYRHPEFIR-NSISKUIASA-N	1	0	356.466	1.557	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](CCc2ccc3ccccc3c2)C[C@H]1O	ZINC001192878433	969336557	/nfs/dbraw/zinc/33/65/57/969336557.db2.gz	DVJKRBHZOXIFEK-NHCUHLMSSA-N	1	0	366.461	1.584	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1	ZINC001193056579	969461092	/nfs/dbraw/zinc/46/10/92/969461092.db2.gz	FJYNZXXLDHHXLD-BRSBDYLESA-N	1	0	358.486	1.281	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCO[C@@H]2CCOC2)c[nH]1	ZINC001110455487	969557112	/nfs/dbraw/zinc/55/71/12/969557112.db2.gz	DSCPQHCSVSSMJS-TVFCKZIOSA-N	1	0	358.442	1.417	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@H]1O	ZINC001193232199	969562273	/nfs/dbraw/zinc/56/22/73/969562273.db2.gz	UXTNYWRLDBOZDI-CEXWTWQISA-N	1	0	350.503	1.857	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)cc2C(F)F)C1	ZINC001193240248	969568459	/nfs/dbraw/zinc/56/84/59/969568459.db2.gz	DEKGFWMUJNOWPC-GZBFAFLISA-N	1	0	356.417	1.645	20	30		FDEDRO
CCNC(=O)OC[C@H]1CCCCN1CC(=O)NCc1cccc(C#N)c1	ZINC000796158573	1013888125	/nfs/dbraw/zinc/88/81/25/1013888125.db2.gz	CCJKWFUSGOLAET-QGZVFWFLSA-N	1	0	358.442	1.775	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C(C)C)C2)C1	ZINC001193427550	969701244	/nfs/dbraw/zinc/70/12/44/969701244.db2.gz	NWCKYEGIKRDPCN-GVDBMIGSSA-N	1	0	351.491	1.151	20	30		FDEDRO
N#Cc1ccc(I)cc1C(=O)N1CC[N@@H+]2CC[C@H]2C1	ZINC001193581559	969747397	/nfs/dbraw/zinc/74/73/97/969747397.db2.gz	NXVWZKHXWPPMRD-LBPRGKRZSA-N	1	0	367.190	1.693	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3ccn(C)c3)n[nH]2)C1	ZINC001193629904	969776535	/nfs/dbraw/zinc/77/65/35/969776535.db2.gz	XGWJBQMNPGVWTO-RTBURBONSA-N	1	0	371.485	1.937	20	30		FDEDRO
COc1ccc(C#N)c(S(=O)(=O)N2CCN(c3cc[nH+]c(C)c3)CC2)c1	ZINC001193674131	969805413	/nfs/dbraw/zinc/80/54/13/969805413.db2.gz	DRZLBCSCUSEVEO-UHFFFAOYSA-N	1	0	372.450	1.781	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cccc4c3CCOC4)C[C@H]2O)CCC1	ZINC001193691757	969814769	/nfs/dbraw/zinc/81/47/69/969814769.db2.gz	UULLOXVVQZHUPV-WOJBJXKFSA-N	1	0	368.477	1.614	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(C)(C)c2ccc(F)cc2)C1	ZINC001193811919	969876634	/nfs/dbraw/zinc/87/66/34/969876634.db2.gz	IFGRJFRJCIJPKC-QZTJIDSGSA-N	1	0	364.461	1.857	20	30		FDEDRO
CCCCCCCCOCC(=O)N[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1O	ZINC001193829193	969886871	/nfs/dbraw/zinc/88/68/71/969886871.db2.gz	YCRFEHBCZJCEAD-QZTJIDSGSA-N	1	0	358.523	1.950	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncn(-c3ccccc3)n2)C1	ZINC001193988568	969947834	/nfs/dbraw/zinc/94/78/34/969947834.db2.gz	PZVZLCNVPQRPRE-QZTJIDSGSA-N	1	0	369.469	1.789	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nc3ncc(C)cn3n2)C1	ZINC001193997167	969965945	/nfs/dbraw/zinc/96/59/45/969965945.db2.gz	KQUWKGXMOHBBOA-HUUCEWRRSA-N	1	0	360.462	1.178	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCN(CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)[C@@H]2C1	ZINC000644734738	1013928493	/nfs/dbraw/zinc/92/84/93/1013928493.db2.gz	UOCCERJFBONBJH-DOTOQJQBSA-N	1	0	365.399	1.809	20	30		FDEDRO
N#Cc1cncc(C(=O)NCC(=O)N2CC[NH+](C3CCCCC3)CC2)c1	ZINC001194121466	970002945	/nfs/dbraw/zinc/00/29/45/970002945.db2.gz	PFTTXCPITCBPGS-UHFFFAOYSA-N	1	0	355.442	1.160	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3cc(C)nc3C2)C1	ZINC001194102377	970017378	/nfs/dbraw/zinc/01/73/78/970017378.db2.gz	JMWQEGCRWAFHGW-KZNAEPCWSA-N	1	0	360.502	1.662	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nc(C)[nH]c3C2)C1	ZINC001194251566	970075898	/nfs/dbraw/zinc/07/58/98/970075898.db2.gz	PYCLCKIZBANVQB-KFKAGJAMSA-N	1	0	360.502	1.731	20	30		FDEDRO
C[NH+](C)CCn1ccc(C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)n1	ZINC000855298868	970278377	/nfs/dbraw/zinc/27/83/77/970278377.db2.gz	FCCLSJZIRJSQNQ-IBGZPJMESA-N	1	0	352.442	1.537	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COc3ccc(Cl)cc32)C1	ZINC001194652290	970288557	/nfs/dbraw/zinc/28/85/57/970288557.db2.gz	PPBIGIRDOSLVSS-ARFHVFGLSA-N	1	0	350.846	1.944	20	30		FDEDRO
COC(=O)N1CCC([C@H](C)[NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000776811029	970336336	/nfs/dbraw/zinc/33/63/36/970336336.db2.gz	MJRJXGCIIMSWHO-YOEHRIQHSA-N	1	0	361.442	1.754	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(Br)c2)C1	ZINC001194825155	970446159	/nfs/dbraw/zinc/44/61/59/970446159.db2.gz	PUJINTBVLCIUPM-RAIGVLPGSA-N	1	0	356.264	1.907	20	30		FDEDRO
C[NH+]1CCC(CO)(NC(=O)c2ccc(C#CBr)cc2)CC1	ZINC001194827651	970447583	/nfs/dbraw/zinc/44/75/83/970447583.db2.gz	QWYJLNBUHOBVTB-UHFFFAOYSA-N	1	0	351.244	1.577	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC3(C)C)C[C@H]2C)CC1	ZINC000957897114	1014005509	/nfs/dbraw/zinc/00/55/09/1014005509.db2.gz	AAJAJACNPKSYOI-BPQIPLTHSA-N	1	0	359.514	1.731	20	30		FDEDRO
CN(CC1C[NH+](C)C1)C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C	ZINC000855637673	970561604	/nfs/dbraw/zinc/56/16/04/970561604.db2.gz	ICMRFSGCPAJZAU-OAHLLOKOSA-N	1	0	352.479	1.984	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCc1ccccc1	ZINC001110465544	970661500	/nfs/dbraw/zinc/66/15/00/970661500.db2.gz	IMODEUUPPBULBP-QRVBRYPASA-N	1	0	369.465	1.064	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C)cc1C	ZINC001110465899	970668585	/nfs/dbraw/zinc/66/85/85/970668585.db2.gz	YPDIJAGALDPGHZ-QRVBRYPASA-N	1	0	353.466	1.664	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C1	ZINC001195171729	970748276	/nfs/dbraw/zinc/74/82/76/970748276.db2.gz	ADEFQIRFJKBWEN-ARFHVFGLSA-N	1	0	353.507	1.445	20	30		FDEDRO
CC(=[NH+]N[C@H]1CCCS(=O)(=O)C1)c1ccc(N2CCOCC2)cc1	ZINC000863129020	972671566	/nfs/dbraw/zinc/67/15/66/972671566.db2.gz	SFWDAEASQJSGCB-INIZCTEOSA-N	1	0	351.472	1.414	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N[C@@H]1CN(CC#Cc2cccc(Cl)c2)C[C@H]1O	ZINC001198028553	972703969	/nfs/dbraw/zinc/70/39/69/972703969.db2.gz	CZAJUBCJSMBPPB-QZTJIDSGSA-N	1	0	363.889	1.195	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COc2cc(F)ccc2F)C1	ZINC001198063049	972755050	/nfs/dbraw/zinc/75/50/50/972755050.db2.gz	XLEZHMRHZFIFAJ-DAXOMENPSA-N	1	0	354.397	1.860	20	30		FDEDRO
CC(C)(C)CNC(=O)CO[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1	ZINC000863457517	972936390	/nfs/dbraw/zinc/93/63/90/972936390.db2.gz	JWKQMEMSZVJCCQ-UHFFFAOYSA-N	1	0	362.474	1.447	20	30		FDEDRO
CCC1([NH+]2CCOCC2)CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1	ZINC000863491934	972951952	/nfs/dbraw/zinc/95/19/52/972951952.db2.gz	DRZIHAJGHBQGFZ-UHFFFAOYSA-N	1	0	370.449	1.870	20	30		FDEDRO
C=C(CO)C(=O)Nc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc[nH+]1	ZINC000863547808	973002103	/nfs/dbraw/zinc/00/21/03/973002103.db2.gz	ZUFDZJDYJAYVQT-UHFFFAOYSA-N	1	0	362.430	1.626	20	30		FDEDRO
Cc1ccc(N2CC[C@@H]([NH2+]C[C@@H](O)CC3(C#N)CCOCC3)C2=O)cc1	ZINC000863551514	973007072	/nfs/dbraw/zinc/00/70/72/973007072.db2.gz	GLZBHZVFKLXXAV-ZWKOTPCHSA-N	1	0	357.454	1.761	20	30		FDEDRO
CC(C)OC(=O)N1CCC([NH2+]C[C@H](O)COc2ccccc2C#N)CC1	ZINC000863550876	973007302	/nfs/dbraw/zinc/00/73/02/973007302.db2.gz	CCVKWPXUXFLDQH-KRWDZBQOSA-N	1	0	361.442	1.897	20	30		FDEDRO
Cc1nccn1-c1ccc(C[NH2+]C[C@H](O)COc2ccccc2C#N)cn1	ZINC000863551999	973008604	/nfs/dbraw/zinc/00/86/04/973008604.db2.gz	VBJJVMJQULGGLV-SFHVURJKSA-N	1	0	363.421	1.977	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1	ZINC000863551960	973008697	/nfs/dbraw/zinc/00/86/97/973008697.db2.gz	UMKBVQFNABRKNR-FUHWJXTLSA-N	1	0	356.470	1.533	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]Cc2cccc(N3CCOC3=O)c2)CCOCC1	ZINC000863552208	973009420	/nfs/dbraw/zinc/00/94/20/973009420.db2.gz	WGJBNLDPVZHPMI-KRWDZBQOSA-N	1	0	359.426	1.804	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC2CCN(C(=O)CCC[NH2+]C)CC2)cc1	ZINC000863587052	973035964	/nfs/dbraw/zinc/03/59/64/973035964.db2.gz	IJURHBGVBUBUOW-UHFFFAOYSA-N	1	0	357.454	1.419	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCCCNC(C)=O)C1	ZINC001198392670	973104342	/nfs/dbraw/zinc/10/43/42/973104342.db2.gz	LBZUZVPRCIDZTP-QZTJIDSGSA-N	1	0	355.523	1.815	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(CCC)n2)C1	ZINC001198535026	973222520	/nfs/dbraw/zinc/22/25/20/973222520.db2.gz	DMUNUVVRPWAYRA-IAGOWNOFSA-N	1	0	362.474	1.175	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(CCC)n2)C1	ZINC001198536241	973226631	/nfs/dbraw/zinc/22/66/31/973226631.db2.gz	RKYDTUDDJBLREB-IAGOWNOFSA-N	1	0	364.490	1.399	20	30		FDEDRO
C#C[C@@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)c1ccc(Cl)cc1	ZINC000867281299	973279846	/nfs/dbraw/zinc/27/98/46/973279846.db2.gz	DJEJKTGIPNZTSC-QGZVFWFLSA-N	1	0	369.918	1.571	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCc2nc(CCC)no2)C1	ZINC001198653120	973356123	/nfs/dbraw/zinc/35/61/23/973356123.db2.gz	IGCHWNZIPUMFIG-HUUCEWRRSA-N	1	0	350.463	1.472	20	30		FDEDRO
C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)c1ccccc1OC	ZINC001198902252	973632607	/nfs/dbraw/zinc/63/26/07/973632607.db2.gz	ISFJQZHLAXQWAG-BHYGNILZSA-N	1	0	361.442	1.051	20	30		FDEDRO
COc1ccccc1[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)NCC(=O)NCC#N	ZINC001198932947	973703260	/nfs/dbraw/zinc/70/32/60/973703260.db2.gz	VMEVKENWPNYVJM-GVDBMIGSSA-N	1	0	370.453	1.128	20	30		FDEDRO
C=C[C@@H](C(=O)N[C@@H]1CN(Cc2ccnc(OC)c2)C[C@H]1O)c1ccccc1	ZINC001198949771	973790158	/nfs/dbraw/zinc/79/01/58/973790158.db2.gz	DDTWGULTWLZYDA-GUDVDZBRSA-N	1	0	367.449	1.721	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COc2cc(F)cc(F)c2)C1	ZINC001199240002	974057616	/nfs/dbraw/zinc/05/76/16/974057616.db2.gz	PNIADSLBLXOWNW-CSMYWGQOSA-N	1	0	354.397	1.860	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@H+](CCCc2ccccc2OC)C[C@H]1O	ZINC001199292887	974133711	/nfs/dbraw/zinc/13/37/11/974133711.db2.gz	WQPFPSQGRXTWST-QZTJIDSGSA-N	1	0	362.470	1.382	20	30		FDEDRO
N#Cc1cccc(CN2C[C@@H](O)[C@H](NC(=O)CCCC[NH+]3CCCC3)C2)c1	ZINC001199345521	974172353	/nfs/dbraw/zinc/17/23/53/974172353.db2.gz	OJFUUGGOOPWDME-WOJBJXKFSA-N	1	0	370.497	1.486	20	30		FDEDRO
O=C(CCCC[NH+]1CCCC1)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O	ZINC001199346841	974173967	/nfs/dbraw/zinc/17/39/67/974173967.db2.gz	YGZAEDJFIRSFRG-NHCUHLMSSA-N	1	0	369.509	1.466	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]C[C@@H]1CCC[C@@H]1NS(C)(=O)=O	ZINC000865489580	974324139	/nfs/dbraw/zinc/32/41/39/974324139.db2.gz	FAUFRQBVPFQMOG-HOCLYGCPSA-N	1	0	350.488	1.432	20	30		FDEDRO
C#CC[C@@H](CC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)c1ccccc1	ZINC001199506697	974329129	/nfs/dbraw/zinc/32/91/29/974329129.db2.gz	WHIIBASMMWPQQU-PWRODBHTSA-N	1	0	370.493	1.772	20	30		FDEDRO
C#CCOC[C@H](O)C[NH2+][C@H]1Cc2ccc(I)cc2C1	ZINC001251891128	974350635	/nfs/dbraw/zinc/35/06/35/974350635.db2.gz	MENFRABWNYJNCR-LSDHHAIUSA-N	1	0	371.218	1.359	20	30		FDEDRO
C=CCC[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)c1ccccc1	ZINC001199566905	974372097	/nfs/dbraw/zinc/37/20/97/974372097.db2.gz	HXWYASSBEPJYEA-XUVXKRRUSA-N	1	0	368.481	1.794	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@]2(C)CCC(=O)N2)C1	ZINC001199592607	974396405	/nfs/dbraw/zinc/39/64/05/974396405.db2.gz	ZKPQGAFTWXTDFH-GPMSIDNRSA-N	1	0	351.491	1.343	20	30		FDEDRO
CCOC(=O)C1CC[NH+](C2CCN(C(=O)c3cnc(C#N)cn3)CC2)CC1	ZINC001199665397	974451113	/nfs/dbraw/zinc/45/11/13/974451113.db2.gz	TYDZIQWFWFMNJK-UHFFFAOYSA-N	1	0	371.441	1.228	20	30		FDEDRO
C#CCOc1cccc(Cl)c1C[NH2+]C[C@]12COC(=O)N1CCOC2	ZINC000865769544	974474238	/nfs/dbraw/zinc/47/42/38/974474238.db2.gz	LBWZSJWEQADPHG-KRWDZBQOSA-N	1	0	350.802	1.663	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)c2coc(C#N)c2)CC1	ZINC000865792544	974493395	/nfs/dbraw/zinc/49/33/95/974493395.db2.gz	KFFCLDJJUINDOB-UHFFFAOYSA-N	1	0	360.458	1.852	20	30		FDEDRO
C=CCOCC[NH2+]C1CCN(C(=O)[C@@H]2CCO[C@H]2c2ccncc2)CC1	ZINC001200615194	974834922	/nfs/dbraw/zinc/83/49/22/974834922.db2.gz	LSWXSPTZUBJYGU-MOPGFXCFSA-N	1	0	359.470	1.942	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)CC1	ZINC001200616048	974836191	/nfs/dbraw/zinc/83/61/91/974836191.db2.gz	WLXSYPVQACXHFL-UXHICEINSA-N	1	0	367.493	1.756	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)NC(C)(C)C)CC1	ZINC001200628856	974848660	/nfs/dbraw/zinc/84/86/60/974848660.db2.gz	NOOSSPKCXPUEJY-CVEARBPZSA-N	1	0	351.491	1.463	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC[N@@H+]1C	ZINC000867395945	975070693	/nfs/dbraw/zinc/07/06/93/975070693.db2.gz	UCSOGHRZXAWNRU-ZQDZILKHSA-N	1	0	350.463	1.592	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1	ZINC000867403229	975140502	/nfs/dbraw/zinc/14/05/02/975140502.db2.gz	XJBBBEDUTZPXCQ-MOPGFXCFSA-N	1	0	366.465	1.625	20	30		FDEDRO
COC(=O)CCC[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)n1)C2	ZINC001202220900	975266870	/nfs/dbraw/zinc/26/68/70/975266870.db2.gz	VTUOALMJMFZNMQ-FQEVSTJZSA-N	1	0	372.469	1.825	20	30		FDEDRO
CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)[C@]1(C#N)CCCOC1	ZINC000867559980	976369823	/nfs/dbraw/zinc/36/98/23/976369823.db2.gz	PZHDCPJJUXOUDP-PMACEKPBSA-N	1	0	357.454	1.402	20	30		FDEDRO
C=CCCn1cc(CONC(=[NH2+])[C@@H]2CN(Cc3ccccc3)CCO2)nn1	ZINC000848510771	976869238	/nfs/dbraw/zinc/86/92/38/976869238.db2.gz	GLGVZJJGUAXYDX-SFHVURJKSA-N	1	0	370.457	1.754	20	30		FDEDRO
N#C[C@]1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCCOC1	ZINC000867798393	976886454	/nfs/dbraw/zinc/88/64/54/976886454.db2.gz	NUMIPOQKDALULV-UYAOXDASSA-N	1	0	357.454	1.714	20	30		FDEDRO
C[N@H+](C[C@H]1CCCOC1)CN1CC(=O)N(Cc2ccccc2C#N)C1=O	ZINC000107670044	976889526	/nfs/dbraw/zinc/88/95/26/976889526.db2.gz	NCQMSGJSKMWYJG-OAHLLOKOSA-N	1	0	356.426	1.638	20	30		FDEDRO
C[NH+]1CCN(C2CCN(S(=O)(=O)c3cccc(CC#N)c3)CC2)CC1	ZINC000867816724	976930568	/nfs/dbraw/zinc/93/05/68/976930568.db2.gz	JXUIEJXGACHGFR-UHFFFAOYSA-N	1	0	362.499	1.153	20	30		FDEDRO
Cc1noc([C@@H]2CCCN(C(=O)[C@H]3[NH2+]CCc4cc(C#N)ccc43)C2)n1	ZINC000867927850	977101537	/nfs/dbraw/zinc/10/15/37/977101537.db2.gz	PYBMQGDRGXBMSH-WBVHZDCISA-N	1	0	351.410	1.843	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCCOc1ncccc1Cl	ZINC000867957864	977141640	/nfs/dbraw/zinc/14/16/40/977141640.db2.gz	AQVLQEPBHBNVRK-MRXNPFEDSA-N	1	0	356.813	1.989	20	30		FDEDRO
Cn1cc(N2CCC[C@@H](NC(=O)[C@H]3[NH2+]CCc4cc(C#N)ccc43)C2)cn1	ZINC000867963225	977147763	/nfs/dbraw/zinc/14/77/63/977147763.db2.gz	UUPDAZRNXUPNOC-APWZRJJASA-N	1	0	364.453	1.264	20	30		FDEDRO
Cc1ccc(CN2CCO[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C2)cc1	ZINC000867997959	977180835	/nfs/dbraw/zinc/18/08/35/977180835.db2.gz	MYPKDYWBWBOFLY-RBUKOAKNSA-N	1	0	358.486	1.723	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccncc1	ZINC000848933575	977250818	/nfs/dbraw/zinc/25/08/18/977250818.db2.gz	OOJOITYSBDPONH-RCCFBDPRSA-N	1	0	356.470	1.948	20	30		FDEDRO
COc1cc2c(cc1OC)CN(C(=O)CCCNC1=[NH+]C[C@H](C)N1)CC2	ZINC000849050985	977293313	/nfs/dbraw/zinc/29/33/13/977293313.db2.gz	QYPIBONCFPEZBO-ZDUSSCGKSA-N	1	0	360.458	1.306	20	30		FDEDRO
CN(C)C(NCc1ccccc1)=[NH+]C[C@@H](N1CCOCC1)C(F)(F)F	ZINC000849051614	977293519	/nfs/dbraw/zinc/29/35/19/977293519.db2.gz	QYWWMQMHKUXYSH-OAHLLOKOSA-N	1	0	358.408	1.957	20	30		FDEDRO
C=CCN(CC=C)[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)C(C)C	ZINC000849071945	977302576	/nfs/dbraw/zinc/30/25/76/977302576.db2.gz	UDBVQHBMOCKEBM-SFHVURJKSA-N	1	0	371.533	1.822	20	30		FDEDRO
CN(C)C(=[NH+]C[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)N(C)C	ZINC000849104936	977317799	/nfs/dbraw/zinc/31/77/99/977317799.db2.gz	FLTOIWHFGBKQCB-MRXNPFEDSA-N	1	0	364.465	1.322	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@@H](NC(=O)NCC1([NH+]3CCCC3)CCOCC1)C2	ZINC000868287057	977448532	/nfs/dbraw/zinc/44/85/32/977448532.db2.gz	TVWWRTKXKOVKIK-IBGZPJMESA-N	1	0	368.481	1.970	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-]	ZINC000849395164	977505503	/nfs/dbraw/zinc/50/55/03/977505503.db2.gz	QTUHURXJNFRTMB-UHFFFAOYSA-N	1	0	362.411	1.376	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1	ZINC000108611423	977609871	/nfs/dbraw/zinc/60/98/71/977609871.db2.gz	QDSCTIMWFALTGS-HZPDHXFCSA-N	1	0	357.454	1.874	20	30		FDEDRO
Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2ccc(C#N)cc2F)cn1	ZINC000849521316	977715386	/nfs/dbraw/zinc/71/53/86/977715386.db2.gz	DDUMTSMOYQWQOL-IRXDYDNUSA-N	1	0	355.417	1.783	20	30		FDEDRO
CC(C)C[C@H](NC(=O)[C@@]1(C#N)CCCOC1)C(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000868545122	977758789	/nfs/dbraw/zinc/75/87/89/977758789.db2.gz	MKUGAMHYVHMHKG-TXPKVOOTSA-N	1	0	364.490	1.000	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1(C)C	ZINC000868578542	977786274	/nfs/dbraw/zinc/78/62/74/977786274.db2.gz	DMLFDVNEHWKTPL-SFHVURJKSA-N	1	0	355.486	1.351	20	30		FDEDRO
COc1cc(CNC(=O)N2CCC([NH+]3CCN(C)CC3)CC2)ccc1C#N	ZINC000868626111	977834668	/nfs/dbraw/zinc/83/46/68/977834668.db2.gz	WEAJUAOGNWFUPZ-UHFFFAOYSA-N	1	0	371.485	1.488	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)OCCc2ccc(C#N)cc2)CC1=O	ZINC000849766955	977973215	/nfs/dbraw/zinc/97/32/15/977973215.db2.gz	VXAZMPNWSBAPRV-OALUTQOASA-N	1	0	369.465	1.977	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)OCC	ZINC001110616710	978037510	/nfs/dbraw/zinc/03/75/10/978037510.db2.gz	OOPBJXBMCKWCRC-NCOADZHNSA-N	1	0	364.490	1.104	20	30		FDEDRO
CN(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1)C(=O)C1CC1	ZINC001110621710	978376215	/nfs/dbraw/zinc/37/62/15/978376215.db2.gz	PSLHMYXJQZPRIE-QRVBRYPASA-N	1	0	366.465	1.648	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C	ZINC000850509226	978409855	/nfs/dbraw/zinc/40/98/55/978409855.db2.gz	ZKYHUDBFAWUNLN-AWEZNQCLSA-N	1	0	361.417	1.765	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C)C1CCOCC1	ZINC000850687668	978611012	/nfs/dbraw/zinc/61/10/12/978611012.db2.gz	DTZBBSRRMZRGRQ-KRWDZBQOSA-N	1	0	357.454	1.540	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC001202480652	978697703	/nfs/dbraw/zinc/69/77/03/978697703.db2.gz	ZEXRKXYDHLVYPB-BHYGNILZSA-N	1	0	351.491	1.558	20	30		FDEDRO
N#Cc1ccc(OC2CC[NH+](C[C@@](O)(C(N)=O)c3ccccc3)CC2)cc1	ZINC000851751142	979028774	/nfs/dbraw/zinc/02/87/74/979028774.db2.gz	KCRLKPSBDOUCBF-NRFANRHFSA-N	1	0	365.433	1.775	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH+]1CCC(Cc2nc(-c3cc(C)ccn3)no2)CC1	ZINC000880281920	979069615	/nfs/dbraw/zinc/06/96/15/979069615.db2.gz	RMIRPXOYTCYRKS-OAHLLOKOSA-N	1	0	367.453	1.832	20	30		FDEDRO
C#CCC1(O)CC[NH+](CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000880484027	979224372	/nfs/dbraw/zinc/22/43/72/979224372.db2.gz	OJVUKQCDKYZAFW-UHFFFAOYSA-N	1	0	351.491	1.389	20	30		FDEDRO
N#Cc1cccc([C@H](NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C(F)(F)F)c1	ZINC000880926402	979529466	/nfs/dbraw/zinc/52/94/66/979529466.db2.gz	QQWXGMQWCCOKOG-ZNMIVQPWSA-N	1	0	368.359	1.622	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2cnc(N3C[C@H]4CC[C@@H](C3)O4)nc2)CC1	ZINC000881076590	979628725	/nfs/dbraw/zinc/62/87/25/979628725.db2.gz	MJHLNJHTNUDREA-CALCHBBNSA-N	1	0	372.473	1.616	20	30		FDEDRO
C#CCC[C@H](O)CNC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000881130162	979703672	/nfs/dbraw/zinc/70/36/72/979703672.db2.gz	XFCWAUUEYVSMPB-MOPGFXCFSA-N	1	0	356.470	1.867	20	30		FDEDRO
C=C(C)C[C@@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)C(=O)OCC	ZINC000882644648	980786725	/nfs/dbraw/zinc/78/67/25/980786725.db2.gz	MXVVGPZGUGZGLO-MRXNPFEDSA-N	1	0	354.472	1.924	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1	ZINC000858126237	981846402	/nfs/dbraw/zinc/84/64/02/981846402.db2.gz	WVJJEBNPLOIDHW-QGZVFWFLSA-N	1	0	359.474	1.061	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000858151413	981866468	/nfs/dbraw/zinc/86/64/68/981866468.db2.gz	FLFPWPXAEHPLKH-FQEVSTJZSA-N	1	0	372.513	1.662	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(C(=O)Nc3ccc(Br)c(C#N)n3)[C@@H]2C1	ZINC000883109799	981953095	/nfs/dbraw/zinc/95/30/95/981953095.db2.gz	DXVKNXKEEVMQLL-BXKDBHETSA-N	1	0	350.220	1.884	20	30		FDEDRO
N#CC1(c2ccccc2)CCC([NH2+]Cc2nnc3n2CCNC3=O)CC1	ZINC000883303949	982059702	/nfs/dbraw/zinc/05/97/02/982059702.db2.gz	KARANXFACZXQFM-UHFFFAOYSA-N	1	0	350.426	1.515	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1	ZINC000883623476	982319619	/nfs/dbraw/zinc/31/96/19/982319619.db2.gz	WBRNSAJRGDFGEC-UHFFFAOYSA-N	1	0	370.434	1.137	20	30		FDEDRO
CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)NCC(=O)NCC#N	ZINC000883695413	982385240	/nfs/dbraw/zinc/38/52/40/982385240.db2.gz	DFMLNMWCDSOBDI-KRWDZBQOSA-N	1	0	357.458	1.322	20	30		FDEDRO
C#C[C@@H](NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccccc1	ZINC000883704457	982398562	/nfs/dbraw/zinc/39/85/62/982398562.db2.gz	LHZJIVKDCHFGPR-VQTJNVASSA-N	1	0	370.497	1.457	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)N[C@@H](C)C(C)C)CC1	ZINC001202559438	982547552	/nfs/dbraw/zinc/54/75/52/982547552.db2.gz	CSWZZUGGYXJOPT-UAGQMJEPSA-N	1	0	351.491	1.319	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)C(=O)NC(C)(C)C)CC1	ZINC001202559441	982548919	/nfs/dbraw/zinc/54/89/19/982548919.db2.gz	CVOMLEZRDVCXRZ-IMJJTQAJSA-N	1	0	351.491	1.461	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)C[C@@H](Cc1ccc(F)cc1)OC	ZINC000859172920	982597134	/nfs/dbraw/zinc/59/71/34/982597134.db2.gz	SPNJIDUKPJZRJT-QGZVFWFLSA-N	1	0	356.463	1.258	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2cccnc2)CC1	ZINC001202589010	982640824	/nfs/dbraw/zinc/64/08/24/982640824.db2.gz	SESRWSKWGYOCOQ-JCGIZDLHSA-N	1	0	356.470	1.456	20	30		FDEDRO
CC(C)(C)OC(=O)NC[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)C1CC1	ZINC000859247849	982644794	/nfs/dbraw/zinc/64/47/94/982644794.db2.gz	CEUBLLCLPMMIQI-CVEARBPZSA-N	1	0	367.490	1.951	20	30		FDEDRO
C[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)[C@@H]1CCN(Cc2ccccc2)C1=O	ZINC000859273517	982670324	/nfs/dbraw/zinc/67/03/24/982670324.db2.gz	AIPHWWLPXKQUEP-RBUKOAKNSA-N	1	0	371.481	1.791	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C[C@H]1NC(=O)OC(C)(C)C	ZINC000859279715	982676159	/nfs/dbraw/zinc/67/61/59/982676159.db2.gz	FARHOLGXUVVYKY-BZUAXINKSA-N	1	0	367.490	1.903	20	30		FDEDRO
C#C[C@@H](CCC)NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000890212791	982698478	/nfs/dbraw/zinc/69/84/78/982698478.db2.gz	BAVLWKNYENTSJX-QFBILLFUSA-N	1	0	368.481	1.828	20	30		FDEDRO
COC(=O)[C@@]1(c2ccccc2)CC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000859312032	982702995	/nfs/dbraw/zinc/70/29/95/982702995.db2.gz	GKZOBPOWPKOCJD-NQIIRXRSSA-N	1	0	372.465	1.874	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N(CCc1ccccc1)CC[NH+](C)C	ZINC000800009443	982707338	/nfs/dbraw/zinc/70/73/38/982707338.db2.gz	NNEPRUYZEVWPSQ-INIZCTEOSA-N	1	0	352.504	1.429	20	30		FDEDRO
O=C1OCCN1C[C@@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000859318618	982708161	/nfs/dbraw/zinc/70/81/61/982708161.db2.gz	ILVXROZNTNCNMP-OAHLLOKOSA-N	1	0	367.405	1.060	20	30		FDEDRO
CN(C)C(=O)COc1cccc(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c1	ZINC000884074081	982823894	/nfs/dbraw/zinc/82/38/94/982823894.db2.gz	FAIUCWNURNHOJW-BIWSTMPVSA-N	1	0	356.426	1.231	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1)C2	ZINC000884077230	982828605	/nfs/dbraw/zinc/82/86/05/982828605.db2.gz	FTJBRTAGBZHVIT-IOBOIYPZSA-N	1	0	366.465	1.606	20	30		FDEDRO
CCCCCNC(=O)C1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1	ZINC000884079596	982835003	/nfs/dbraw/zinc/83/50/03/982835003.db2.gz	UWKXFVTZMFZNOG-OHTSDLOESA-N	1	0	360.502	1.671	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1cc(Cl)c3c(c1)OCCO3)C2	ZINC000884079729	982835289	/nfs/dbraw/zinc/83/52/89/982835289.db2.gz	ZCBLTNKMCRJEMZ-YNAXMUEKSA-N	1	0	361.829	1.867	20	30		FDEDRO
Cc1cc(C(=O)N2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CC2)c(C)o1	ZINC000884097161	982860947	/nfs/dbraw/zinc/86/09/47/982860947.db2.gz	WGWPODUZLLRJPI-NGEICVOHSA-N	1	0	370.453	1.320	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(N3CCCCC3=O)cc1)C2	ZINC000884102758	982869178	/nfs/dbraw/zinc/86/91/78/982869178.db2.gz	MJDQUZWVEAHURQ-BQIYRTECSA-N	1	0	366.465	1.959	20	30		FDEDRO
COC(=O)C[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccc(F)cc1	ZINC000884105721	982874815	/nfs/dbraw/zinc/87/48/15/982874815.db2.gz	WIJFGXWVOGRODL-XLMXBGDPSA-N	1	0	359.401	1.685	20	30		FDEDRO
CC(C)(CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccc2c(c1)OCCO2	ZINC000884112367	982885471	/nfs/dbraw/zinc/88/54/71/982885471.db2.gz	KETXVOMZUPUIRR-JERHATOGSA-N	1	0	369.465	1.991	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@H+]2CC3(CCOCC3)CC[C@@H]2CO)CCOCC1	ZINC000859522074	982891855	/nfs/dbraw/zinc/89/18/55/982891855.db2.gz	MPNIOHSBUKEXAW-SJORKVTESA-N	1	0	352.475	1.311	20	30		FDEDRO
COc1ccc(C2(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CCOCC2)cc1	ZINC000884115311	982891916	/nfs/dbraw/zinc/89/19/16/982891916.db2.gz	NYMIZKGQCTWDPX-CMVHYPBASA-N	1	0	369.465	1.956	20	30		FDEDRO
C[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccc2c(c1)CC(=O)N2C	ZINC000884124423	982906392	/nfs/dbraw/zinc/90/63/92/982906392.db2.gz	XUDUTDNCKWYTTR-SUNNNVNVSA-N	1	0	352.438	1.522	20	30		FDEDRO
CN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[C@H]1CCN(c2ccccc2)C1=O	ZINC000884126457	982907984	/nfs/dbraw/zinc/90/79/84/982907984.db2.gz	AKUDCJHNZZRTHU-RHELOZEPSA-N	1	0	352.438	1.390	20	30		FDEDRO
CCc1ccc2c(c1)[C@@H](CCNC(=O)C1CC3(C1)C[NH2+]C[C@@H]3C#N)C(=O)N2	ZINC000884132303	982915397	/nfs/dbraw/zinc/91/53/97/982915397.db2.gz	MBQQDVKXHYDYHQ-KXSVDRQTSA-N	1	0	366.465	1.930	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NCCNC(=O)c2c(F)cccc2F)C1	ZINC000884145856	982925681	/nfs/dbraw/zinc/92/56/81/982925681.db2.gz	ULWJRELOPWCPLC-ZDUSSCGKSA-N	1	0	364.396	1.091	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1nc(CN3CCOCC3)cs1)C2	ZINC000884178304	982951048	/nfs/dbraw/zinc/95/10/48/982951048.db2.gz	IGFSSRRKNPHDBE-JZLYGMAVSA-N	1	0	361.471	1.053	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@@H](c1ccccc1)N1CCOCC1)C2	ZINC000884191093	982967312	/nfs/dbraw/zinc/96/73/12/982967312.db2.gz	VTRSWJQOOUTJOP-JMDAGXMHSA-N	1	0	368.481	1.315	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(N3CCOCC3)cc1)C2	ZINC000884192070	982967976	/nfs/dbraw/zinc/96/79/76/982967976.db2.gz	VCDNFKZSJMDXND-OHTSDLOESA-N	1	0	354.454	1.279	20	30		FDEDRO
CCn1c(CCNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)nc2ccccc21	ZINC000884204098	982979383	/nfs/dbraw/zinc/97/93/83/982979383.db2.gz	NIURXDOSDCUNAL-RDYUPDBUSA-N	1	0	351.454	1.854	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1	ZINC000884204924	982980280	/nfs/dbraw/zinc/98/02/80/982980280.db2.gz	IFLVKZQAFMJGAY-IRXDYDNUSA-N	1	0	351.491	1.404	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCN(C(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)CC2)CCO1	ZINC000332062688	982987258	/nfs/dbraw/zinc/98/72/58/982987258.db2.gz	QFILJWGEIZWDLD-QFBILLFUSA-N	1	0	366.465	1.952	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1	ZINC000884261606	983036022	/nfs/dbraw/zinc/03/60/22/983036022.db2.gz	PJSCKOOYOHUVKK-WOJBJXKFSA-N	1	0	370.497	1.150	20	30		FDEDRO
COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884307109	983071920	/nfs/dbraw/zinc/07/19/20/983071920.db2.gz	YRQBMDZTNQBMFZ-JJXOGSGTSA-N	1	0	369.465	1.964	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCN(c3cc(C4CC4)[nH]n3)CC1)C2	ZINC000884320154	983080853	/nfs/dbraw/zinc/08/08/53/983080853.db2.gz	LRQQCKJBTWTNKM-HVEKOLDVSA-N	1	0	354.458	1.075	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000884328776	983089173	/nfs/dbraw/zinc/08/91/73/983089173.db2.gz	XFJXSRFPGLEPDC-SZMVWBNQSA-N	1	0	359.470	1.460	20	30		FDEDRO
COC(=O)CC[C@@H](Cc1ccccc1)NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884330286	983089785	/nfs/dbraw/zinc/08/97/85/983089785.db2.gz	JKYJTYIXYJGPCG-IOBOIYPZSA-N	1	0	369.465	1.806	20	30		FDEDRO
COC(=O)[C@@](C)(CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccccc1	ZINC000884333997	983093528	/nfs/dbraw/zinc/09/35/28/983093528.db2.gz	DIYUQVLVMABWGZ-WTFFPNBSSA-N	1	0	355.438	1.373	20	30		FDEDRO
C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884335230	983094391	/nfs/dbraw/zinc/09/43/91/983094391.db2.gz	NRXOFOWWEWMWFF-BQSYYEAHSA-N	1	0	368.481	1.804	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NCc2ccncc2OCCC[NH+](C)C)C1	ZINC000884354739	983110816	/nfs/dbraw/zinc/11/08/16/983110816.db2.gz	YMUGSGKGLZCSAI-SFHVURJKSA-N	1	0	373.501	1.309	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCC[C@@H]1CCC2(CCOCC2)CO1	ZINC000884377619	983126040	/nfs/dbraw/zinc/12/60/40/983126040.db2.gz	PTSRQOLXLIKFFU-KRWDZBQOSA-N	1	0	351.491	1.607	20	30		FDEDRO
COc1ccccc1OC[C@@H](C)CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884378553	983126753	/nfs/dbraw/zinc/12/67/53/983126753.db2.gz	WLMGYYYWFMCCPF-DQLYFJKKSA-N	1	0	357.454	1.966	20	30		FDEDRO
C=C(Cl)C[C@@H](NC(=O)c1ccnc(N2CC[NH2+]CC2)c1)C(=O)OCC	ZINC000884453808	983165255	/nfs/dbraw/zinc/16/52/55/983165255.db2.gz	YWCGOBVVLQYKQG-CQSZACIVSA-N	1	0	366.849	1.295	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCN(c3ccc(F)cc3F)CC1)C2	ZINC000884471368	983173848	/nfs/dbraw/zinc/17/38/48/983173848.db2.gz	TYZSRRMILJXNOH-BIWSTMPVSA-N	1	0	360.408	1.753	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)OC(C)(C)C	ZINC000860037182	983184816	/nfs/dbraw/zinc/18/48/16/983184816.db2.gz	QKMMZEDBPIKQDS-VIQHNZTISA-N	1	0	361.486	1.702	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)c1ccc(C#N)cc1	ZINC000884541467	983233055	/nfs/dbraw/zinc/23/30/55/983233055.db2.gz	FKHUEBCHHHWGNA-LEWSCRJBSA-N	1	0	368.359	1.331	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1	ZINC000860530454	983433102	/nfs/dbraw/zinc/43/31/02/983433102.db2.gz	XMWZPCRYKTVQMC-UKRRQHHQSA-N	1	0	362.376	1.959	20	30		FDEDRO
CCOC(=O)Nc1ccc(NC(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1C#N	ZINC000860809401	983522871	/nfs/dbraw/zinc/52/28/71/983522871.db2.gz	QIDOPHKGHIEUKV-AWEZNQCLSA-N	1	0	361.402	1.315	20	30		FDEDRO
CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)CCc2c(C)nn(CCC#N)c2C)C1	ZINC000861339649	983691228	/nfs/dbraw/zinc/69/12/28/983691228.db2.gz	CLALFJMTWFZZPO-VQIMIIECSA-N	1	0	362.474	1.999	20	30		FDEDRO
N#Cc1cccnc1NCCNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1	ZINC000861564999	983780084	/nfs/dbraw/zinc/78/00/84/983780084.db2.gz	PLDLONHHSMCGFD-KRWDZBQOSA-N	1	0	372.473	1.165	20	30		FDEDRO
C=CC[C@H](NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)c1ccncc1	ZINC000861582241	983784733	/nfs/dbraw/zinc/78/47/33/983784733.db2.gz	RNJWRXBMKLPQCY-KRWDZBQOSA-N	1	0	372.473	1.051	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N[C@H](C(=O)OCC)[C@H](O)c1ccc(Cl)cc1	ZINC000862332504	984333260	/nfs/dbraw/zinc/33/32/60/984333260.db2.gz	JBESSZHCABCNQR-LSDHHAIUSA-N	1	0	354.834	1.539	20	30		FDEDRO
C=CCOC[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2)C(=O)[O-]	ZINC001588865729	984419562	/nfs/dbraw/zinc/41/95/62/984419562.db2.gz	CHIFVNHVMYWLLF-CYBMUJFWSA-N	1	0	372.368	1.815	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)NC[C@H]1CC[N@@H+]1C1CCCCC1	ZINC000862628953	984446857	/nfs/dbraw/zinc/44/68/57/984446857.db2.gz	KZOWKDKGFRTAKB-AMGRQBIBSA-N	1	0	360.458	1.426	20	30		FDEDRO
C#CCNC(=O)C[NH+]1CCC([C@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1	ZINC000795038020	984634096	/nfs/dbraw/zinc/63/40/96/984634096.db2.gz	CYCKXCAZCQKVPT-MOPGFXCFSA-N	1	0	369.465	1.763	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CCCCC1	ZINC000884785728	984792863	/nfs/dbraw/zinc/79/28/63/984792863.db2.gz	DAOGGHILOBXELZ-RYUDHWBXSA-N	1	0	360.380	1.172	20	30		FDEDRO
CN1CC[NH+](C2CCN(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CC2)CC1	ZINC000869193282	984937077	/nfs/dbraw/zinc/93/70/77/984937077.db2.gz	OBCZDGCYZBHVDL-IBGZPJMESA-N	1	0	367.497	1.447	20	30		FDEDRO
C=CCC1(NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)CCOCC1	ZINC000869259899	984980053	/nfs/dbraw/zinc/98/00/53/984980053.db2.gz	XLIINFNJVIONPF-AWEZNQCLSA-N	1	0	355.479	1.683	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1	ZINC000885152982	985207831	/nfs/dbraw/zinc/20/78/31/985207831.db2.gz	BKPVUQHCLDXZRO-LJQANCHMSA-N	1	0	362.433	1.347	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CC[NH+](C)CC1	ZINC001006385254	985286139	/nfs/dbraw/zinc/28/61/39/985286139.db2.gz	ICTKNAZFGWRBLP-DZVNLGKHSA-N	1	0	361.486	1.167	20	30		FDEDRO
N#Cc1ccc(C[C@@H](C#N)C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)cc1	ZINC000885883665	985750352	/nfs/dbraw/zinc/75/03/52/985750352.db2.gz	YJLSINBNPWLYPH-HKUYNNGSSA-N	1	0	352.438	1.610	20	30		FDEDRO
N#Cc1ccc(C[C@@H](C#N)C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)cc1	ZINC000885883668	985750510	/nfs/dbraw/zinc/75/05/10/985750510.db2.gz	YJLSINBNPWLYPH-PKOBYXMFSA-N	1	0	352.438	1.610	20	30		FDEDRO
CN1CCOC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1	ZINC001095334681	985931078	/nfs/dbraw/zinc/93/10/78/985931078.db2.gz	DSVYWBDMQKKWHP-XWSJACJDSA-N	1	0	354.454	1.110	20	30		FDEDRO
C[NH+](C)[C@@H](CC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccccc1	ZINC000886208562	985973105	/nfs/dbraw/zinc/97/31/05/985973105.db2.gz	NKHQEXWRHVEELL-SOLBZPMBSA-N	1	0	361.467	1.076	20	30		FDEDRO
C#CCOc1ccc(Br)cc1C[NH2+][C@H]1CS(=O)(=O)C[C@H]1C	ZINC000886295938	986044230	/nfs/dbraw/zinc/04/42/30/986044230.db2.gz	SUTUCTLSHMBUMY-RISCZKNCSA-N	1	0	372.284	1.984	20	30		FDEDRO
C#CC[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2CN2CCCC2=O)C1	ZINC000886354996	986094534	/nfs/dbraw/zinc/09/45/34/986094534.db2.gz	ALYHKFAXHYHQMX-QGZVFWFLSA-N	1	0	353.466	1.770	20	30		FDEDRO
C#CC[C@H]1CC[N@@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1	ZINC000886363908	986103014	/nfs/dbraw/zinc/10/30/14/986103014.db2.gz	ICYPCHVLOZBRKQ-DLBZAZTESA-N	1	0	356.495	1.802	20	30		FDEDRO
C#CCN(C(=O)Cc1ccccc1O[C@H]1CCOC1)C1CC[NH+](C)CC1	ZINC000886574612	986374380	/nfs/dbraw/zinc/37/43/80/986374380.db2.gz	MGZZJXPAHLXPSF-IBGZPJMESA-N	1	0	356.466	1.953	20	30		FDEDRO
C#CCN(C(=O)c1nn(-c2ccc(F)cc2)ccc1=O)C1CC[NH+](C)CC1	ZINC000886581294	986384515	/nfs/dbraw/zinc/38/45/15/986384515.db2.gz	RFZRJLJHLYOICI-UHFFFAOYSA-N	1	0	368.412	1.541	20	30		FDEDRO
C#CCN(C(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)C1CC[NH+](C)CC1	ZINC000886583590	986389620	/nfs/dbraw/zinc/38/96/20/986389620.db2.gz	WNSXEIRDCZPCKQ-IAGOWNOFSA-N	1	0	370.497	1.865	20	30		FDEDRO
C#CCN(C(=O)COc1cccc(NC(=O)C2CC2)c1)C1CC[NH+](C)CC1	ZINC000886585480	986391507	/nfs/dbraw/zinc/39/15/07/986391507.db2.gz	XTILRGFDNMMWNQ-UHFFFAOYSA-N	1	0	369.465	1.970	20	30		FDEDRO
C#CCN(C(=O)c1ccc(CN2CCCC2=O)cc1)C1CC[NH+](C)CC1	ZINC000886587388	986393196	/nfs/dbraw/zinc/39/31/96/986393196.db2.gz	UOCIAAJDIMADDB-UHFFFAOYSA-N	1	0	353.466	1.979	20	30		FDEDRO
Cn1cc(C[NH+]2CCC(O)(COCCO)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000886749592	986546105	/nfs/dbraw/zinc/54/61/05/986546105.db2.gz	XLRRGAMWOJIYOW-UHFFFAOYSA-N	1	0	370.453	1.295	20	30		FDEDRO
COC(=O)CCN(CC#N)C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1	ZINC000871340803	986909721	/nfs/dbraw/zinc/90/97/21/986909721.db2.gz	GUPITKBCJZLBLF-INIZCTEOSA-N	1	0	361.417	1.953	20	30		FDEDRO
N#Cc1c(Cl)cccc1S(=O)(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1	ZINC000871812895	987264572	/nfs/dbraw/zinc/26/45/72/987264572.db2.gz	DKJIJPDPMYNSHV-WCBMZHEXSA-N	1	0	367.780	1.969	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](C[NH2+]C[C@@H](O)CC1(C#N)CC1)O2	ZINC000871983187	987407065	/nfs/dbraw/zinc/40/70/65/987407065.db2.gz	VPUILMDHEMFUMR-LSDHHAIUSA-N	1	0	365.474	1.799	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1	ZINC000872192177	987497898	/nfs/dbraw/zinc/49/78/98/987497898.db2.gz	RYPJFGFDCJVTIK-FUHWJXTLSA-N	1	0	365.518	1.794	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1	ZINC000888596779	987519941	/nfs/dbraw/zinc/51/99/41/987519941.db2.gz	DKPRASFFTHHUIM-DLBZAZTESA-N	1	0	351.491	1.477	20	30		FDEDRO
N#Cc1ccccc1N1CCC([NH2+]C[C@@H](O)COC2CCOCC2)CC1	ZINC000872222234	987523973	/nfs/dbraw/zinc/52/39/73/987523973.db2.gz	QKYHGVAYIYDUJB-GOSISDBHSA-N	1	0	359.470	1.673	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2Cc3ccc(C#N)cc3C2)cc1	ZINC000872240079	987536792	/nfs/dbraw/zinc/53/67/92/987536792.db2.gz	VPDRYAMWKSDWAJ-GOSISDBHSA-N	1	0	351.431	1.961	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)N1CCN(CC(C)(C)O)[C@H](C)C1	ZINC000872476599	987700891	/nfs/dbraw/zinc/70/08/91/987700891.db2.gz	ZLOANPQCGZUPPS-CQSZACIVSA-N	1	0	351.472	1.332	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c(C#N)c1	ZINC000872507150	987731535	/nfs/dbraw/zinc/73/15/35/987731535.db2.gz	PGTDEXZHWZOLTP-INIZCTEOSA-N	1	0	351.472	1.598	20	30		FDEDRO
C=C(C)Cn1c(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)nnc1C(C)(C)C	ZINC000292878083	987920881	/nfs/dbraw/zinc/92/08/81/987920881.db2.gz	HTUZCCUQEHZFMS-MRXNPFEDSA-N	1	0	374.533	1.895	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1	ZINC000298887326	987932122	/nfs/dbraw/zinc/93/21/22/987932122.db2.gz	SQSZKISFJLVBPP-RYUDHWBXSA-N	1	0	365.430	1.763	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CC[N@@H+](C2CCC2)C1	ZINC000293280484	988015590	/nfs/dbraw/zinc/01/55/90/988015590.db2.gz	BULIYZZDVLWQLE-ZDUSSCGKSA-N	1	0	358.417	1.969	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(N2CCCC2)c(F)c1	ZINC000293362661	988050714	/nfs/dbraw/zinc/05/07/14/988050714.db2.gz	LQDJVLXYFHOHIT-UHFFFAOYSA-N	1	0	360.433	1.436	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ncccc2C)C1	ZINC000365792746	988089714	/nfs/dbraw/zinc/08/97/14/988089714.db2.gz	PHRTYLBXYFTAMG-INIZCTEOSA-N	1	0	357.458	1.803	20	30		FDEDRO
CC(C)C[NH+]1CCC(NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC1	ZINC000872834898	988151105	/nfs/dbraw/zinc/15/11/05/988151105.db2.gz	AIUZMVAKHJLJJA-UHFFFAOYSA-N	1	0	370.501	1.905	20	30		FDEDRO
C[C@H]1CCC[N@H+](CCNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1	ZINC000872837261	988154223	/nfs/dbraw/zinc/15/42/23/988154223.db2.gz	BSGYIIOXSHOMSU-INIZCTEOSA-N	1	0	356.474	1.517	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)c1	ZINC000293761149	988196180	/nfs/dbraw/zinc/19/61/80/988196180.db2.gz	XOCFCXTWAVFQAJ-UHFFFAOYSA-N	1	0	369.513	1.724	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)CC1	ZINC000299173741	988198791	/nfs/dbraw/zinc/19/87/91/988198791.db2.gz	ZJGQDWRZRFGIQH-IYBDPMFKSA-N	1	0	356.470	1.979	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C	ZINC000872887809	988239538	/nfs/dbraw/zinc/23/95/38/988239538.db2.gz	OLLYNSCWQWMWIH-MRXNPFEDSA-N	1	0	365.518	1.807	20	30		FDEDRO
CC[NH+]1CCC(CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC1	ZINC000872927198	988295373	/nfs/dbraw/zinc/29/53/73/988295373.db2.gz	PREXIKBWSFQMLC-UHFFFAOYSA-N	1	0	356.474	1.517	20	30		FDEDRO
C[C@@H](NC(=O)N1CCN(c2ccc(C#N)nc2)CC1)C(C)(C)C[NH+](C)C	ZINC000872932367	988303216	/nfs/dbraw/zinc/30/32/16/988303216.db2.gz	NVLVZZRHLZNTAV-OAHLLOKOSA-N	1	0	358.490	1.761	20	30		FDEDRO
C#CCCN1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC1	ZINC000299316619	988316917	/nfs/dbraw/zinc/31/69/17/988316917.db2.gz	LMKVEHIWISFOMY-UHFFFAOYSA-N	1	0	354.498	1.215	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)c1	ZINC000873100865	988542415	/nfs/dbraw/zinc/54/24/15/988542415.db2.gz	HIJQMICEEHRDDZ-QGZVFWFLSA-N	1	0	373.453	1.465	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)ccc1Cl	ZINC000873102911	988550306	/nfs/dbraw/zinc/55/03/06/988550306.db2.gz	BWPWJTFJIWKOHU-KOLCDFICSA-N	1	0	374.750	1.746	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1	ZINC000873104609	988557701	/nfs/dbraw/zinc/55/77/01/988557701.db2.gz	OSILAAWMXDGDCD-RISCZKNCSA-N	1	0	369.343	1.233	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1	ZINC000873106975	988566377	/nfs/dbraw/zinc/56/63/77/988566377.db2.gz	LFMDZZQABNRZOC-RYUDHWBXSA-N	1	0	354.332	1.401	20	30		FDEDRO
CCc1nc(CN2C[C@@H]3C[NH+](C[C@@H](O)c4ccc(C#N)cc4)C[C@H]3C2)no1	ZINC000366266343	988587751	/nfs/dbraw/zinc/58/77/51/988587751.db2.gz	GYFXYTBUCMYUBI-OKZBNKHCSA-N	1	0	367.453	1.601	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cc(-c2ccccc2)on1	ZINC000299555305	988593333	/nfs/dbraw/zinc/59/33/33/988593333.db2.gz	GICOKGDBSFTYCP-UHFFFAOYSA-N	1	0	369.425	1.974	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1CCC[C@H]([N@H+](C)Cc2ccccc2)CC1	ZINC000362753344	988724960	/nfs/dbraw/zinc/72/49/60/988724960.db2.gz	NJCVHIBSOCGTBB-SFHVURJKSA-N	1	0	358.486	1.985	20	30		FDEDRO
N#C[C@H]1CN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CCN1C1CC1	ZINC000363081067	988906948	/nfs/dbraw/zinc/90/69/48/988906948.db2.gz	DROZPGZDMCCXSM-IRXDYDNUSA-N	1	0	357.458	1.798	20	30		FDEDRO
C=CCN1CC[C@H](N2CCC[C@H]([N@H+](C)[C@H]3CCN(CC=C)C3=O)CC2)C1=O	ZINC000367193241	988940212	/nfs/dbraw/zinc/94/02/12/988940212.db2.gz	FURQGWUQHGJCJT-FHWLQOOXSA-N	1	0	374.529	1.347	20	30		FDEDRO
Cc1ccnc(NC(=O)C2CC[NH+](CCC(=O)N(C)CCC#N)CC2)c1	ZINC000367502610	988953967	/nfs/dbraw/zinc/95/39/67/988953967.db2.gz	JZVLKIHQPWKPRX-UHFFFAOYSA-N	1	0	357.458	1.803	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NC[C@H]3CCC[C@@H](CO)C3)=[NH+]C[C@H]2C1	ZINC000367573060	988955996	/nfs/dbraw/zinc/95/59/96/988955996.db2.gz	CKNDWIMMMXYUEH-XHSDSOJGSA-N	1	0	366.506	1.666	20	30		FDEDRO
C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCN(C2CC2)[C@H](C#N)C1	ZINC000367950395	988974518	/nfs/dbraw/zinc/97/45/18/988974518.db2.gz	FEYOXSPESGJMMB-VQIMIIECSA-N	1	0	355.486	1.889	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)c1	ZINC000363190932	988982047	/nfs/dbraw/zinc/98/20/47/988982047.db2.gz	NXRKHHLCIKICRK-LJQANCHMSA-N	1	0	368.481	1.899	20	30		FDEDRO
CC[C@@H](CC#N)NC(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C	ZINC000368358325	988991064	/nfs/dbraw/zinc/99/10/64/988991064.db2.gz	SXGLSVVPSKCPFI-HNNXBMFYSA-N	1	0	352.442	1.986	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1C#N	ZINC000873688946	988995627	/nfs/dbraw/zinc/99/56/27/988995627.db2.gz	NMHAVLFJLXHCCB-AWEZNQCLSA-N	1	0	358.442	1.744	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000363212282	988998359	/nfs/dbraw/zinc/99/83/59/988998359.db2.gz	MDGDWHDFRNAWFT-LMMKCTJWSA-N	1	0	357.454	1.941	20	30		FDEDRO
CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CC(=O)N(CCC#N)CCC#N	ZINC000368668549	989003409	/nfs/dbraw/zinc/00/34/09/989003409.db2.gz	LWXLZNSSOAMHJH-SJORKVTESA-N	1	0	359.474	1.508	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)cc1	ZINC000368986693	989019031	/nfs/dbraw/zinc/01/90/31/989019031.db2.gz	KSEFSSVSCAEAAM-PKOBYXMFSA-N	1	0	372.469	1.889	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)[N@@H+]1CCc2ccccc2C1	ZINC000369228194	989036618	/nfs/dbraw/zinc/03/66/18/989036618.db2.gz	AEUQHUQXFWOIMD-OXJNMPFZSA-N	1	0	367.497	1.815	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1C#N	ZINC000873725850	989068857	/nfs/dbraw/zinc/06/88/57/989068857.db2.gz	SVTXJDTVDQTLCB-KRWDZBQOSA-N	1	0	370.453	1.982	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1C#N	ZINC000873726695	989071725	/nfs/dbraw/zinc/07/17/25/989071725.db2.gz	CYKLFPIEUIBCLB-CQSZACIVSA-N	1	0	356.426	1.450	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000296352106	989141367	/nfs/dbraw/zinc/14/13/67/989141367.db2.gz	ZTVCXHFJTKKRSP-GOOCMWNKSA-N	1	0	359.401	1.518	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000363393602	989157567	/nfs/dbraw/zinc/15/75/67/989157567.db2.gz	SXXRIWZPMHMTKX-SCTDSRPQSA-N	1	0	364.534	1.920	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(C)CCC#N)cc2F)CC1	ZINC000873788282	989190777	/nfs/dbraw/zinc/19/07/77/989190777.db2.gz	GVGJPHSXESHXAO-UHFFFAOYSA-N	1	0	361.421	1.278	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCCC#N)cc2F)CC1	ZINC000873798932	989215754	/nfs/dbraw/zinc/21/57/54/989215754.db2.gz	QSEHXMSLIFOCOF-UHFFFAOYSA-N	1	0	361.421	1.326	20	30		FDEDRO
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000296525659	989261946	/nfs/dbraw/zinc/26/19/46/989261946.db2.gz	WEYDOQRIFVTQHX-IJYGLTAASA-N	1	0	362.474	1.530	20	30		FDEDRO
C#CCN(CC#C)C(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(F)c1	ZINC000873827934	989266927	/nfs/dbraw/zinc/26/69/27/989266927.db2.gz	YOXFVLJIBGFMLF-UHFFFAOYSA-N	1	0	370.428	1.001	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCc1cccc(CN2CCCC2=O)c1	ZINC000296598398	989316875	/nfs/dbraw/zinc/31/68/75/989316875.db2.gz	OHSKOCAHRWZNEX-UHFFFAOYSA-N	1	0	356.470	1.563	20	30		FDEDRO
C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)c2cc(C#N)c[nH]2)CC1	ZINC000363595872	989334472	/nfs/dbraw/zinc/33/44/72/989334472.db2.gz	VMNHSMOUKPAJBT-UHFFFAOYSA-N	1	0	351.410	1.916	20	30		FDEDRO
C=CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1	ZINC000369961180	989344560	/nfs/dbraw/zinc/34/45/60/989344560.db2.gz	JZMXCZAEJOASLB-VQTJNVASSA-N	1	0	357.498	1.869	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCc1ccnc(OC2CCOCC2)c1	ZINC000296668436	989356300	/nfs/dbraw/zinc/35/63/00/989356300.db2.gz	PCOYYGWSFLDBHU-UHFFFAOYSA-N	1	0	360.458	1.394	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000363663395	989377662	/nfs/dbraw/zinc/37/76/62/989377662.db2.gz	SGNUZARUVSLXDA-CABCVRRESA-N	1	0	358.442	1.188	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@@H](CCSC)c1nnc2ccccn21	ZINC000296772526	989404906	/nfs/dbraw/zinc/40/49/06/989404906.db2.gz	GLYUUYHUMIMLPK-HNNXBMFYSA-N	1	0	374.514	1.778	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1c(C)sc(C)c1C(=O)OC	ZINC000873896328	989410797	/nfs/dbraw/zinc/41/07/97/989410797.db2.gz	SFTQJFHQOFGLGA-UHFFFAOYSA-N	1	0	365.455	1.161	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1	ZINC000296974586	989455293	/nfs/dbraw/zinc/45/52/93/989455293.db2.gz	ITDKWDLPPSCRLW-UXHICEINSA-N	1	0	371.481	1.876	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)N2CC[NH+](C3CCOCC3)CC2)cc1	ZINC000297048508	989466993	/nfs/dbraw/zinc/46/69/93/989466993.db2.gz	MXXYLMGJJWKGCC-UHFFFAOYSA-N	1	0	357.454	1.705	20	30		FDEDRO
Cc1ccccc1CNC(=O)[C@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000370124852	989470512	/nfs/dbraw/zinc/47/05/12/989470512.db2.gz	XLDHBNPMTLDZMX-HNNXBMFYSA-N	1	0	352.442	1.800	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1	ZINC000297186053	989490014	/nfs/dbraw/zinc/49/00/14/989490014.db2.gz	BQZNGVBBEDSUEO-UHFFFAOYSA-N	1	0	360.433	1.248	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N(CCOC)CC2CC[NH+](C)CC2)c1	ZINC000873971644	989549953	/nfs/dbraw/zinc/54/99/53/989549953.db2.gz	OSKKMSAVYJMXKN-UHFFFAOYSA-N	1	0	357.454	1.423	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[NH+](C(C)C)CC2)s1	ZINC000873974892	989561924	/nfs/dbraw/zinc/56/19/24/989561924.db2.gz	KMVJICKKAQKGDQ-UHFFFAOYSA-N	1	0	371.528	1.308	20	30		FDEDRO
CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1	ZINC000873986841	989578344	/nfs/dbraw/zinc/57/83/44/989578344.db2.gz	SYPNXKFEHADWON-UHFFFAOYSA-N	1	0	358.446	1.212	20	30		FDEDRO
CC(C)C[N@@H+]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1	ZINC000364843073	989837347	/nfs/dbraw/zinc/83/73/47/989837347.db2.gz	VTRKVEQPKLSBFT-UHFFFAOYSA-N	1	0	374.489	1.639	20	30		FDEDRO
CC(C)CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000874216699	989945772	/nfs/dbraw/zinc/94/57/72/989945772.db2.gz	OKOGAZQASTZLRD-UHFFFAOYSA-N	1	0	374.489	1.562	20	30		FDEDRO
C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1)[N@H+](C)C1CC1	ZINC000365064216	989994524	/nfs/dbraw/zinc/99/45/24/989994524.db2.gz	BZLBUDXNLDRXOV-KSSFIOAISA-N	1	0	354.454	1.648	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1	ZINC000365191117	990092758	/nfs/dbraw/zinc/09/27/58/990092758.db2.gz	QSJSBXGTXQYYJB-AZOIQLNYSA-N	1	0	360.433	1.695	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)cc1C#N	ZINC000874370704	990208084	/nfs/dbraw/zinc/20/80/84/990208084.db2.gz	ZTINZNRDOSPPKP-IRXDYDNUSA-N	1	0	370.453	1.979	20	30		FDEDRO
CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000298662927	990221080	/nfs/dbraw/zinc/22/10/80/990221080.db2.gz	DEIOWXQTZXVFLI-KRWDZBQOSA-N	1	0	358.490	1.761	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21	ZINC000298810023	990291392	/nfs/dbraw/zinc/29/13/92/990291392.db2.gz	XQZITQNNQKHIBS-MSOLQXFVSA-N	1	0	354.454	1.459	20	30		FDEDRO
CCCCOCCNC(=O)CO/[NH+]=C/c1ccc(N2CCOCC2)cc1	ZINC000298827511	990300156	/nfs/dbraw/zinc/30/01/56/990300156.db2.gz	SMUAMOYEIMCJKZ-RCCKNPSSSA-N	1	0	363.458	1.807	20	30		FDEDRO
CC(C)[NH+]1CCN([C@H]2CCN(Cc3cnc4ccc(C#N)cn34)C2)CC1	ZINC000371336625	990366035	/nfs/dbraw/zinc/36/60/35/990366035.db2.gz	PXIKWMUASPCOQA-SFHVURJKSA-N	1	0	352.486	1.806	20	30		FDEDRO
CCCN(CC#N)CC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1	ZINC000371483974	990464912	/nfs/dbraw/zinc/46/49/12/990464912.db2.gz	YJOKBZACABXNAT-UHFFFAOYSA-N	1	0	358.486	1.965	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NCC2CC[NH+](CCc3ccccc3)CC2)CCO1	ZINC000371549817	990517869	/nfs/dbraw/zinc/51/78/69/990517869.db2.gz	ZXXCBHQXKHKIBW-LJQANCHMSA-N	1	0	356.470	1.875	20	30		FDEDRO
N#Cc1c(NC2CC[NH+](CC(=O)N3CCCC3)CC2)nc2ccccn21	ZINC000371627573	990581316	/nfs/dbraw/zinc/58/13/16/990581316.db2.gz	JQHCUKJOLKXBJG-UHFFFAOYSA-N	1	0	352.442	1.705	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1	ZINC000371658011	990603385	/nfs/dbraw/zinc/60/33/85/990603385.db2.gz	RVBCOIMSVCMJNM-QGZVFWFLSA-N	1	0	369.469	1.044	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1	ZINC000875010054	990724564	/nfs/dbraw/zinc/72/45/64/990724564.db2.gz	CQIZHTKLLLDHDX-SFHVURJKSA-N	1	0	357.454	1.053	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)NCc1ccccc1C[NH+]1CCCC1	ZINC000875013397	990729287	/nfs/dbraw/zinc/72/92/87/990729287.db2.gz	CLSZZULXZBPWGO-SFHVURJKSA-N	1	0	357.454	1.053	20	30		FDEDRO
N#Cc1cc2c(nc1N1CCC(O)(C[NH+]3CCOCC3)CC1)CCCC2	ZINC000371811976	990738012	/nfs/dbraw/zinc/73/80/12/990738012.db2.gz	YYUBCYSMZQDTGN-UHFFFAOYSA-N	1	0	356.470	1.496	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1	ZINC000371906197	990815677	/nfs/dbraw/zinc/81/56/77/990815677.db2.gz	QNFQHVQMYFPXFD-JLJPHGGASA-N	1	0	356.401	1.579	20	30		FDEDRO
C[N@H+](CC(=O)NC1(C#N)CCCCC1)C1CCN(c2cccnn2)CC1	ZINC000371960160	990855986	/nfs/dbraw/zinc/85/59/86/990855986.db2.gz	QWXFYVYBASVEEH-UHFFFAOYSA-N	1	0	356.474	1.720	20	30		FDEDRO
N#CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@]24C[C@H]2COC4)C3)cc1	ZINC001095443391	990917660	/nfs/dbraw/zinc/91/76/60/990917660.db2.gz	LNESDCCOGKJWGK-KHWKGDQTSA-N	1	0	367.449	1.847	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000875116468	990919627	/nfs/dbraw/zinc/91/96/27/990919627.db2.gz	GQOMZHQLJLFHSZ-RTBURBONSA-N	1	0	371.481	1.169	20	30		FDEDRO
CC[N@H+](CCO)CCNC(=O)N[C@H]1CCCN(c2ccccc2C#N)C1	ZINC000372129414	990930983	/nfs/dbraw/zinc/93/09/83/990930983.db2.gz	WUDXLEHYDWTMGO-KRWDZBQOSA-N	1	0	359.474	1.140	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccncc1	ZINC000875205099	991073734	/nfs/dbraw/zinc/07/37/34/991073734.db2.gz	ZMIIHMBPUOXJQY-MSOLQXFVSA-N	1	0	356.470	1.948	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCN(CC(=O)NCc3cccc(C#N)c3)CC2)CCO1	ZINC000372552479	991205833	/nfs/dbraw/zinc/20/58/33/991205833.db2.gz	JGSQGLKSSQXMHP-MRXNPFEDSA-N	1	0	356.470	1.360	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCC[N@H+](CC(C)(C)O)CC1	ZINC000372553847	991206530	/nfs/dbraw/zinc/20/65/30/991206530.db2.gz	CDNYDAUBDMLKRI-UHFFFAOYSA-N	1	0	361.442	1.251	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCN(CC(=O)NCc3ccc(C#N)cc3)CC2)CCO1	ZINC000372552945	991207221	/nfs/dbraw/zinc/20/72/21/991207221.db2.gz	NCOOJSHISSBPGA-MRXNPFEDSA-N	1	0	356.470	1.360	20	30		FDEDRO
N#Cc1cnn(-c2ccc(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)c1N	ZINC000372560078	991214156	/nfs/dbraw/zinc/21/41/56/991214156.db2.gz	NKLYIUAERASACM-NVXWUHKLSA-N	1	0	350.426	1.683	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1	ZINC000875347895	991368243	/nfs/dbraw/zinc/36/82/43/991368243.db2.gz	YCRFESBMTUSGOL-GOSISDBHSA-N	1	0	359.470	1.481	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCC1CC[NH+](C(C)C)CC1	ZINC000875386996	991444848	/nfs/dbraw/zinc/44/48/48/991444848.db2.gz	WMGJLMLUCZFUBD-QZTJIDSGSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCC1CC[NH+](C(C)C)CC1	ZINC000875425937	991524794	/nfs/dbraw/zinc/52/47/94/991524794.db2.gz	BDMBXBOAFQJXPU-IRXDYDNUSA-N	1	0	351.491	1.320	20	30		FDEDRO
CC(C)[NH+]1CCC(CCNC(=O)C(=O)NCc2ccc(CC#N)cc2)CC1	ZINC000875433925	991535395	/nfs/dbraw/zinc/53/53/95/991535395.db2.gz	XXLTZVQESBBDQC-UHFFFAOYSA-N	1	0	370.497	1.996	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC000968775681	1015643977	/nfs/dbraw/zinc/64/39/77/1015643977.db2.gz	FKVBNEVYCISXKB-UIBIWLFHSA-N	1	0	369.469	1.432	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1	ZINC000875605389	991794704	/nfs/dbraw/zinc/79/47/04/991794704.db2.gz	GXYHGGZSIUDYGS-FGTMMUONSA-N	1	0	363.502	1.254	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)[C@@H](O)c1cc(OC)ccc1OC	ZINC000875621885	991818050	/nfs/dbraw/zinc/81/80/50/991818050.db2.gz	BVSJVUOCABSBGQ-KBXCAEBGSA-N	1	0	363.458	1.380	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1	ZINC000410827992	991923398	/nfs/dbraw/zinc/92/33/98/991923398.db2.gz	VUOKHULGJXGXHO-QGZVFWFLSA-N	1	0	359.470	1.924	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2	ZINC000373179511	991981362	/nfs/dbraw/zinc/98/13/62/991981362.db2.gz	OYNQKUPNYZLMRF-NRFANRHFSA-N	1	0	370.497	1.986	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000875916704	992187795	/nfs/dbraw/zinc/18/77/95/992187795.db2.gz	MEGVTBBRNMBGNQ-AEFFLSMTSA-N	1	0	350.507	1.225	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc2n[nH]cc21	ZINC000411395825	992378673	/nfs/dbraw/zinc/37/86/73/992378673.db2.gz	DXCODGZWQAQXMG-UHFFFAOYSA-N	1	0	356.430	1.504	20	30		FDEDRO
CC(C)[C@H]([NH2+]CCC(=O)Nc1ccccc1C#N)C(=O)N1CCOCC1	ZINC000411475541	992444503	/nfs/dbraw/zinc/44/45/03/992444503.db2.gz	SIYSUXYIRPMWMI-SFHVURJKSA-N	1	0	358.442	1.360	20	30		FDEDRO
N#CCCn1cc(C[N@H+]2CC[C@H]3OCC(=O)N[C@H]3C2)c(-c2ccccc2)n1	ZINC000373970367	992536700	/nfs/dbraw/zinc/53/67/00/992536700.db2.gz	UKOBKXDPSMVIFD-ZWKOTPCHSA-N	1	0	365.437	1.553	20	30		FDEDRO
COC[C@@]1(C[NH+](C)C)COCCN1C(=O)[C@@H](C)Oc1ccccc1C#N	ZINC000876471022	992628598	/nfs/dbraw/zinc/62/85/98/992628598.db2.gz	KGZSTGZLZMRCGW-BEFAXECRSA-N	1	0	361.442	1.131	20	30		FDEDRO
CC(C)C(=O)N1CCC(NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876581458	992717821	/nfs/dbraw/zinc/71/78/21/992717821.db2.gz	KDPJJVNCEDREJI-GOSISDBHSA-N	1	0	354.454	1.508	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1	ZINC000876583871	992720184	/nfs/dbraw/zinc/72/01/84/992720184.db2.gz	SZSWSTVZBWWHGM-HNNXBMFYSA-N	1	0	351.834	1.496	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1	ZINC000876597617	992730278	/nfs/dbraw/zinc/73/02/78/992730278.db2.gz	ICFXLXAJCXDJBV-OAHLLOKOSA-N	1	0	369.824	1.345	20	30		FDEDRO
CC(C)N(C)C(=O)C1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876604832	992735672	/nfs/dbraw/zinc/73/56/72/992735672.db2.gz	GEHMRNDMRYRTTG-LJQANCHMSA-N	1	0	368.481	1.850	20	30		FDEDRO
CC[NH2+][C@H](C)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1	ZINC000876606495	992737577	/nfs/dbraw/zinc/73/75/77/992737577.db2.gz	ACVQWLVLRUWOEO-WGBIJJAVSA-N	1	0	352.460	1.436	20	30		FDEDRO
CCN(CC)C(=O)C1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876628749	992755081	/nfs/dbraw/zinc/75/50/81/992755081.db2.gz	ULYGEAIBBPTBDQ-LJQANCHMSA-N	1	0	368.481	1.852	20	30		FDEDRO
CCCC(=O)NC[C@H]1CCCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876631752	992757229	/nfs/dbraw/zinc/75/72/29/992757229.db2.gz	FCEOQCMFZUPXBH-UZLBHIALSA-N	1	0	368.481	1.900	20	30		FDEDRO
CCCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876634446	992759566	/nfs/dbraw/zinc/75/95/66/992759566.db2.gz	RLINVMMRXRILBD-FUHWJXTLSA-N	1	0	354.454	1.510	20	30		FDEDRO
C[C@@H]1C[C@H](O)C[N@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000412046207	992779975	/nfs/dbraw/zinc/77/99/75/992779975.db2.gz	ZGMWOTHKWHZTSF-MNEFBYGVSA-N	1	0	374.460	1.237	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C[C@@H](C(F)(F)F)O1	ZINC000876684955	992793572	/nfs/dbraw/zinc/79/35/72/992793572.db2.gz	LMDHUDIBTRBLLS-ONERCXAPSA-N	1	0	353.344	1.923	20	30		FDEDRO
Cc1cc(CN2CCN(C(=O)[C@H]3[NH2+]CCc4cc(C#N)ccc43)CC2)no1	ZINC000876712206	992819343	/nfs/dbraw/zinc/81/93/43/992819343.db2.gz	NTKKXRXGVLVWSH-IBGZPJMESA-N	1	0	365.437	1.386	20	30		FDEDRO
CN(C(=O)CN1CCO[C@H]2C[C@H]([NH+](C)C)CC[C@H]21)C1(C#N)CCCCC1	ZINC000374419498	992832199	/nfs/dbraw/zinc/83/21/99/992832199.db2.gz	HYSPCEVQZVUDHS-KURKYZTESA-N	1	0	362.518	1.855	20	30		FDEDRO
CC1(C)COCCN1CCNC(=O)N1CCC(C#N)(c2ccccn2)CC1	ZINC000374425721	992835046	/nfs/dbraw/zinc/83/50/46/992835046.db2.gz	YWNIXSDOTZSVNE-UHFFFAOYSA-N	1	0	371.485	1.759	20	30		FDEDRO
N#CCC(=O)N1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1	ZINC000412190664	992859605	/nfs/dbraw/zinc/85/96/05/992859605.db2.gz	IBQXREJMHKFYHH-UHFFFAOYSA-N	1	0	354.454	1.871	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1	ZINC000876754550	992875933	/nfs/dbraw/zinc/87/59/33/992875933.db2.gz	SFMTUHAKSUHJRH-OAHLLOKOSA-N	1	0	356.898	1.049	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1	ZINC000876772276	992895409	/nfs/dbraw/zinc/89/54/09/992895409.db2.gz	KSIPARONRYGTFP-HYVNUMGLSA-N	1	0	351.878	1.862	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(Cc2cc(OC)cc(OC)c2)CC1	ZINC000876777426	992903050	/nfs/dbraw/zinc/90/30/50/992903050.db2.gz	MNUSIJZAZPQJIR-QGZVFWFLSA-N	1	0	367.877	1.818	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](Cc1ccccc1OC)C(=O)OC	ZINC000876903896	992960578	/nfs/dbraw/zinc/96/05/78/992960578.db2.gz	ZVIFALAMKKZMRS-KBPBESRZSA-N	1	0	354.834	1.613	20	30		FDEDRO
Cn1cccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1=O	ZINC000374873206	992961309	/nfs/dbraw/zinc/96/13/09/992961309.db2.gz	GZBVSQCQZDDOCN-UHFFFAOYSA-N	1	0	350.422	1.673	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCc2c(cccc2S(=O)(=O)N(C)C)C1	ZINC000876912445	992964198	/nfs/dbraw/zinc/96/41/98/992964198.db2.gz	UYHJOIIGALXONQ-AWEZNQCLSA-N	1	0	371.890	1.292	20	30		FDEDRO
CCn1cc(C(=O)C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cn1	ZINC000374885023	992964151	/nfs/dbraw/zinc/96/41/51/992964151.db2.gz	YSDVMXYACKAAFE-UHFFFAOYSA-N	1	0	365.437	1.760	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC([C@@H](O)C(F)(F)F)CC1	ZINC000876940973	992975505	/nfs/dbraw/zinc/97/55/05/992975505.db2.gz	CKBBTZIPENUXIW-HZPDHXFCSA-N	1	0	367.371	1.907	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CC[C@H](CN2CCCC2=O)C1	ZINC000876974770	992992300	/nfs/dbraw/zinc/99/23/00/992992300.db2.gz	SFQKKBXHBQUUHL-DNVCBOLYSA-N	1	0	352.438	1.216	20	30		FDEDRO
CC(C)(C)c1nnc2n1CCN(C(=O)[C@@H]1[NH2+]CCc3cc(C#N)ccc31)C2	ZINC000876979198	992994445	/nfs/dbraw/zinc/99/44/45/992994445.db2.gz	WUZNBDNTXAQBTC-QGZVFWFLSA-N	1	0	364.453	1.676	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)s1	ZINC000876986111	992996525	/nfs/dbraw/zinc/99/65/25/992996525.db2.gz	XWUPXBIDNFIONQ-MLGOLLRUSA-N	1	0	369.512	1.095	20	30		FDEDRO
CN1C(=O)c2ccccc2[C@@H]1CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000877044006	993028038	/nfs/dbraw/zinc/02/80/38/993028038.db2.gz	PQYWMMYDDRTXCR-OALUTQOASA-N	1	0	360.417	1.688	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3CC)CC2)CC1	ZINC000964959985	1015753711	/nfs/dbraw/zinc/75/37/11/1015753711.db2.gz	NDUWCZLVHWBZPT-BHIYHBOVSA-N	1	0	359.514	1.875	20	30		FDEDRO
Cn1cc(N2CC[C@]3(CC[N@H+](Cc4ccc(OCC#N)cc4)C3)C2=O)cn1	ZINC001137116698	993083268	/nfs/dbraw/zinc/08/32/68/993083268.db2.gz	NRMVGTAYTJTNAS-FQEVSTJZSA-N	1	0	365.437	1.951	20	30		FDEDRO
C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)Nc1ncc(C#N)cc1F	ZINC000413212940	993155413	/nfs/dbraw/zinc/15/54/13/993155413.db2.gz	RVAKZWGRMVEMOG-KRWDZBQOSA-N	1	0	355.417	1.793	20	30		FDEDRO
Cn1cc(N2C[C@@]3(CC[N@H+](Cc4ccc(OCC#N)cc4)C3)CC2=O)cn1	ZINC001137118369	993201158	/nfs/dbraw/zinc/20/11/58/993201158.db2.gz	VLGNRRPYWPWDFW-FQEVSTJZSA-N	1	0	365.437	1.951	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)cc1	ZINC000467713199	993358312	/nfs/dbraw/zinc/35/83/12/993358312.db2.gz	BWAPZYXSECOIOK-AGUYFDCRSA-N	1	0	356.426	1.747	20	30		FDEDRO
N#Cc1ccccc1N1CCC([NH2+]Cc2cccc(S(N)(=O)=O)c2)CC1	ZINC000877682225	993438100	/nfs/dbraw/zinc/43/81/00/993438100.db2.gz	MNUOLMSUJRETGM-UHFFFAOYSA-N	1	0	370.478	1.964	20	30		FDEDRO
COc1ccc(C[C@](C)(CO)[NH2+]Cc2cnc3c(C#N)cnn3c2)cc1	ZINC000877831094	993531833	/nfs/dbraw/zinc/53/18/33/993531833.db2.gz	PEWWNAFXZABYNY-LJQANCHMSA-N	1	0	351.410	1.693	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1	ZINC001095579279	993562998	/nfs/dbraw/zinc/56/29/98/993562998.db2.gz	XHVSBLGNSFNRTQ-PMPSAXMXSA-N	1	0	351.410	1.831	20	30		FDEDRO
CCOCCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCC2)CC1	ZINC000468823497	993673827	/nfs/dbraw/zinc/67/38/27/993673827.db2.gz	DZXCIHGTLPSFIU-HNNXBMFYSA-N	1	0	364.490	1.192	20	30		FDEDRO
CC(=O)[C@](C#N)(CCN1CCC[C@@H](N2CCNC2=O)C1)c1ccccc1	ZINC000878106624	993713876	/nfs/dbraw/zinc/71/38/76/993713876.db2.gz	LKVXUWJCFDMQMS-UYAOXDASSA-N	1	0	354.454	1.917	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CO[C@@H](CCC(=O)OC(C)(C)C)C2)CC1	ZINC000878222077	993801307	/nfs/dbraw/zinc/80/13/07/993801307.db2.gz	AAJXOZZZVRSGKU-GJZGRUSLSA-N	1	0	365.474	1.618	20	30		FDEDRO
C=CC[C@H](C(=O)OC)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1	ZINC000878290590	993882408	/nfs/dbraw/zinc/88/24/08/993882408.db2.gz	BEHHKEXQEULSFG-GOSISDBHSA-N	1	0	365.518	1.808	20	30		FDEDRO
C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccnn1CC	ZINC000968896402	1015819143	/nfs/dbraw/zinc/81/91/43/1015819143.db2.gz	PGIJRECREOBPFZ-YQVWRLOYSA-N	1	0	358.486	1.975	20	30		FDEDRO
COC(OC)[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000923675763	993983246	/nfs/dbraw/zinc/98/32/46/993983246.db2.gz	DXCAXXOTELYYBS-HNNXBMFYSA-N	1	0	360.458	1.783	20	30		FDEDRO
C[NH+](C)CCOc1ccc(/C=C\C(=O)OCC(=O)NC2(C#N)CCC2)cc1	ZINC000924186409	994463517	/nfs/dbraw/zinc/46/35/17/994463517.db2.gz	QAXRBIHTDPFHNF-TWGQIWQCSA-N	1	0	371.437	1.746	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1cc(C)n(CCC#N)n1	ZINC000879078159	994515832	/nfs/dbraw/zinc/51/58/32/994515832.db2.gz	QXXPCVZBNQUCSE-UHFFFAOYSA-N	1	0	362.478	1.927	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c1	ZINC000965179291	1015873396	/nfs/dbraw/zinc/87/33/96/1015873396.db2.gz	HBNHTLKHFUJHCH-AYOQOUSVSA-N	1	0	368.481	1.514	20	30		FDEDRO
NC(=O)[C@@H](C1CC1)[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)CC1CC1	ZINC000879487964	994954711	/nfs/dbraw/zinc/95/47/11/994954711.db2.gz	OIWXTHOJMNNETN-GOSISDBHSA-N	1	0	365.433	1.262	20	30		FDEDRO
C#CCNC(=O)CC[NH+]1CCC(O)(Cc2nc(C(C)(C)C)cs2)CC1	ZINC000879613538	995088793	/nfs/dbraw/zinc/08/87/93/995088793.db2.gz	LXVTYCARNGFHBO-UHFFFAOYSA-N	1	0	363.527	1.950	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@H](C)C(=O)NC(=O)NC(C)C	ZINC001110899715	995392241	/nfs/dbraw/zinc/39/22/41/995392241.db2.gz	NRRRQLDEMZNHLZ-TUVASFSCSA-N	1	0	364.490	1.543	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)cc1	ZINC000925314912	995482396	/nfs/dbraw/zinc/48/23/96/995482396.db2.gz	FQBLNHSLSWXQLK-CJNGLKHVSA-N	1	0	366.487	1.707	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(Cc2ccc(OC3CC[NH+](C)CC3)cc2)C1=O	ZINC000925352374	995525811	/nfs/dbraw/zinc/52/58/11/995525811.db2.gz	CWJDWSSSAGNGAG-GOSISDBHSA-N	1	0	373.453	1.783	20	30		FDEDRO
C[C@@H]1[C@@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)CCN1Cc1ccccc1	ZINC000925414472	995575044	/nfs/dbraw/zinc/57/50/44/995575044.db2.gz	OEUFIFQZTULCPQ-RFGMHMOMSA-N	1	0	354.454	1.765	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@@H]([NH2+]C2CCOCC2)C1	ZINC000880212103	995723737	/nfs/dbraw/zinc/72/37/37/995723737.db2.gz	YGNMWDOYTIWOMW-SZVBFZGTSA-N	1	0	350.507	1.662	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1	ZINC000880250659	995754613	/nfs/dbraw/zinc/75/46/13/995754613.db2.gz	RJHMQSNOSAPPNG-KRWDZBQOSA-N	1	0	362.518	1.381	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1CCC(C(N)=O)([NH+]2CCCCC2)CC1	ZINC000880252083	995755322	/nfs/dbraw/zinc/75/53/22/995755322.db2.gz	WMYZZCMSXQBJJZ-UHFFFAOYSA-N	1	0	350.507	1.217	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)Cc1ccccc1CC#N)C2	ZINC000926163643	995951213	/nfs/dbraw/zinc/95/12/13/995951213.db2.gz	CPUVEUCIOWFXSD-QCFAMHMHSA-N	1	0	355.482	1.891	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)Cc1cccc(OCC#N)c1)C2	ZINC000926167318	995953742	/nfs/dbraw/zinc/95/37/42/995953742.db2.gz	ZLKGHIHKDOLTAX-UKAVVXHISA-N	1	0	371.481	1.727	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)CNc1ccc(C#N)cc1)C2	ZINC000926179769	995962641	/nfs/dbraw/zinc/96/26/41/995962641.db2.gz	LFZQLTMCJILRHD-HNBVOPMISA-N	1	0	356.470	1.566	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)N3CC[C@H](N4CC[NH2+]CC4)C3)cc21	ZINC000926215943	995978995	/nfs/dbraw/zinc/97/89/95/995978995.db2.gz	CVOGCMDAEFRDCH-KRWDZBQOSA-N	1	0	354.458	1.734	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1nnc(C)[nH]1)C2	ZINC000965425529	1016060738	/nfs/dbraw/zinc/06/07/38/1016060738.db2.gz	VNLIPYIDTLMJBK-PWVIFBGPSA-N	1	0	359.474	1.611	20	30		FDEDRO
CCN(C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[C@@H]1CC[NH2+]C1	ZINC000887007187	996822641	/nfs/dbraw/zinc/82/26/41/996822641.db2.gz	FSEHOWHGWOJWNY-GFCCVEGCSA-N	1	0	370.331	1.606	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cnn(C)c2I)CC1	ZINC000887069235	996903918	/nfs/dbraw/zinc/90/39/18/996903918.db2.gz	ASNGGQAHFHWMBK-UHFFFAOYSA-N	1	0	372.210	1.308	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000282976630	997049080	/nfs/dbraw/zinc/04/90/80/997049080.db2.gz	JYTSGJIIWXBBMU-CYBMUJFWSA-N	1	0	371.363	1.824	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2cccc(CC#N)n2)CC[N@@H+](C2CCC2)C1	ZINC000890295584	997126035	/nfs/dbraw/zinc/12/60/35/997126035.db2.gz	AFPAZMAVHWYFLF-CQSZACIVSA-N	1	0	355.442	1.419	20	30		FDEDRO
C[NH+]=C(NCc1ccco1)NCc1ccc(C(=O)N2CCN(C)CC2)cc1	ZINC000264107745	997402773	/nfs/dbraw/zinc/40/27/73/997402773.db2.gz	ZXTKONDZDJPAKF-UHFFFAOYSA-N	1	0	369.469	1.532	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H](Cc2ccc(O)cc2)C(=O)OC)CC1	ZINC000264209962	997427763	/nfs/dbraw/zinc/42/77/63/997427763.db2.gz	WKZMBSBZBFQAQY-QGZVFWFLSA-N	1	0	358.438	1.185	20	30		FDEDRO
Cc1ccccc1[C@H](CC(=O)N(CCC#N)CCC[NH+](C)C)NC(N)=O	ZINC000264265712	997443147	/nfs/dbraw/zinc/44/31/47/997443147.db2.gz	QMOSBEQRDWNSDN-KRWDZBQOSA-N	1	0	359.474	1.789	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCC(=O)N2CCc3ccccc3C2)CC1	ZINC000264371510	997484536	/nfs/dbraw/zinc/48/45/36/997484536.db2.gz	JBOJPBHWPRAYKH-UHFFFAOYSA-N	1	0	370.497	1.911	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1	ZINC000264375144	997487095	/nfs/dbraw/zinc/48/70/95/997487095.db2.gz	SFDRCQAYFUBOGB-UHFFFAOYSA-N	1	0	354.458	1.435	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C(=O)OC)c2)CC1	ZINC000264403682	997497758	/nfs/dbraw/zinc/49/77/58/997497758.db2.gz	FEQPCGIOETWDDN-UHFFFAOYSA-N	1	0	359.426	1.568	20	30		FDEDRO
N#CCCN(C(=O)CN(CCO)CCOCC(F)(F)F)c1ccccc1	ZINC000264814395	997621638	/nfs/dbraw/zinc/62/16/38/997621638.db2.gz	GTVKHUCJSAMZMS-UHFFFAOYSA-N	1	0	373.375	1.806	20	30		FDEDRO
COC(=O)[C@H](C)C[N@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000264986817	997668066	/nfs/dbraw/zinc/66/80/66/997668066.db2.gz	NZSKMOYOEISIBZ-CYBMUJFWSA-N	1	0	370.371	1.914	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)CC1	ZINC000887729729	997709548	/nfs/dbraw/zinc/70/95/48/997709548.db2.gz	UOQWEBPKRPHTQF-LJQANCHMSA-N	1	0	356.470	1.486	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2cccc(OCC(=O)OC)c2)CC1	ZINC000265250198	997735107	/nfs/dbraw/zinc/73/51/07/997735107.db2.gz	QQJKFIDZLBLVQT-UHFFFAOYSA-N	1	0	361.442	1.688	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(Cc3ccc(C)cc3)CCO2)CC1	ZINC000826605327	998151540	/nfs/dbraw/zinc/15/15/40/998151540.db2.gz	PMHQHQYWFCFDGL-OAQYLSRUSA-N	1	0	369.509	1.657	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1	ZINC000889658332	998507404	/nfs/dbraw/zinc/50/74/04/998507404.db2.gz	CULBNCFLFUGJOG-LJQANCHMSA-N	1	0	369.513	1.335	20	30		FDEDRO
C=CCOc1cc(OC)ccc1C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000889760836	998612766	/nfs/dbraw/zinc/61/27/66/998612766.db2.gz	IDWGOKWTDUSSEH-ZWKOTPCHSA-N	1	0	360.454	1.931	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1cccc(CC#N)n1	ZINC000889798927	998668155	/nfs/dbraw/zinc/66/81/55/998668155.db2.gz	CQHLLRBKBLNKPQ-HNNXBMFYSA-N	1	0	357.458	1.857	20	30		FDEDRO
C#C[C@H]1COCCN1C(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000889991648	998761858	/nfs/dbraw/zinc/76/18/58/998761858.db2.gz	ASKWJJJNWLPFAG-IBGZPJMESA-N	1	0	371.481	1.447	20	30		FDEDRO
C=CCOCCNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000890077172	998806022	/nfs/dbraw/zinc/80/60/22/998806022.db2.gz	NOQXOHJKKTUXPP-SFHVURJKSA-N	1	0	372.469	1.228	20	30		FDEDRO
N#CCCCNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000890081453	998808654	/nfs/dbraw/zinc/80/86/54/998808654.db2.gz	BOCFJVRPEDYQSU-QGZVFWFLSA-N	1	0	355.442	1.329	20	30		FDEDRO
CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000890149512	998844652	/nfs/dbraw/zinc/84/46/52/998844652.db2.gz	UFTFXIFPXITAHQ-QAPCUYQASA-N	1	0	369.469	1.718	20	30		FDEDRO
C[C@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000890153096	998847540	/nfs/dbraw/zinc/84/75/40/998847540.db2.gz	YFIBZCZCYNMFIF-CRAIPNDOSA-N	1	0	369.469	1.670	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3ccc(C4CC4)c(C#N)c3)CC[C@@H]21	ZINC000890429194	998939398	/nfs/dbraw/zinc/93/93/98/998939398.db2.gz	CYGHNXALDVTGNF-KSSFIOAISA-N	1	0	352.438	1.927	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1COC(=O)COC1CN(C(=O)OC(C)(C)C)C1	ZINC000777310719	999002670	/nfs/dbraw/zinc/00/26/70/999002670.db2.gz	MRZZEHJAJDZERH-AWEZNQCLSA-N	1	0	352.431	1.263	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3nc(C)nn3C1)C2	ZINC001110839367	999010958	/nfs/dbraw/zinc/01/09/58/999010958.db2.gz	CQNVMCQOUZTMAO-HZMVEIRTSA-N	1	0	359.474	1.073	20	30		FDEDRO
COC[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)CCOC1	ZINC001110864795	999076070	/nfs/dbraw/zinc/07/60/70/999076070.db2.gz	NXJQBHUOZKHSMN-BNDYYXHWSA-N	1	0	369.465	1.833	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C[C@H](C)CS(C)(=O)=O)cc1	ZINC001110884327	999112115	/nfs/dbraw/zinc/11/21/15/999112115.db2.gz	ZKDRROUBQQDZEP-PIKADFDJSA-N	1	0	374.506	1.684	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N2CC[NH+](C3CCOCC3)CC2)cc1	ZINC000267061425	999295674	/nfs/dbraw/zinc/29/56/74/999295674.db2.gz	SZZUTMOOTITUMY-UHFFFAOYSA-N	1	0	372.469	1.931	20	30		FDEDRO
O=C(NCCNC(=O)C1N=CC=CC1=O)[C@H]1CC[N@@H+](C2CCCCC2)C1	ZINC000267285780	999303279	/nfs/dbraw/zinc/30/32/79/999303279.db2.gz	XEVNLEVYXIYRPE-STGLLQLASA-N	1	0	360.458	1.284	20	30		FDEDRO
CN(CCNC(=[NH2+])N1CCN(c2ncccn2)CC1)Cc1ccc(F)cc1	ZINC000267325784	999312049	/nfs/dbraw/zinc/31/20/49/999312049.db2.gz	NYOBLSSPFQSGKK-UHFFFAOYSA-N	1	0	371.464	1.184	20	30		FDEDRO
CN1C[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1=O	ZINC000267574858	999363332	/nfs/dbraw/zinc/36/33/32/999363332.db2.gz	GSJMFOVKJQBGAL-QGZVFWFLSA-N	1	0	355.442	1.006	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCc3cn4c(n3)CCCC4)=[NH+]C[C@@H]2C1	ZINC000268071631	999423546	/nfs/dbraw/zinc/42/35/46/999423546.db2.gz	KLAATZGVGVKHQE-OAHLLOKOSA-N	1	0	374.489	1.600	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCc3ccc(O)cc3)=[NH+]C[C@@H]2C1	ZINC000268105108	999430767	/nfs/dbraw/zinc/43/07/67/999430767.db2.gz	XUDLGGNYHCGIGB-OAHLLOKOSA-N	1	0	360.458	1.815	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C	ZINC000268236530	999434751	/nfs/dbraw/zinc/43/47/51/999434751.db2.gz	ZWOSKXUNUGIMTE-BLLLJJGKSA-N	1	0	359.401	1.375	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2c(CC)nn(C)c2CC)CC1	ZINC000269988126	999495959	/nfs/dbraw/zinc/49/59/59/999495959.db2.gz	TWLGGOWOMKQBSG-UHFFFAOYSA-N	1	0	364.494	1.570	20	30		FDEDRO
CC[NH+]1CCC(CCNC(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1	ZINC000270171669	999521461	/nfs/dbraw/zinc/52/14/61/999521461.db2.gz	KEZJCBKSWDMXGF-UHFFFAOYSA-N	1	0	354.454	1.686	20	30		FDEDRO
C#CCNC(=O)c1ccc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)nc1	ZINC000270511525	999569672	/nfs/dbraw/zinc/56/96/72/999569672.db2.gz	WYZNTUGPAITJFC-UHFFFAOYSA-N	1	0	369.513	1.439	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNC(=O)C(=O)Nc2cccc(C#N)c2)ccn1	ZINC000270583737	999581569	/nfs/dbraw/zinc/58/15/69/999581569.db2.gz	BETSGZWSDRYNSF-UHFFFAOYSA-N	1	0	367.409	1.149	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c(OC)c1	ZINC000270895582	999630823	/nfs/dbraw/zinc/63/08/23/999630823.db2.gz	LVFRTVQNDSXGOE-MSOLQXFVSA-N	1	0	374.481	1.860	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)nn1CCC#N	ZINC000271031024	999651012	/nfs/dbraw/zinc/65/10/12/999651012.db2.gz	OVPYUDADDDYKLH-INIZCTEOSA-N	1	0	368.441	1.463	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N(C)Cc1cnn(C)c1)C(C)C	ZINC000283158520	999741530	/nfs/dbraw/zinc/74/15/30/999741530.db2.gz	KMBBUZRWVYAJTE-QGZVFWFLSA-N	1	0	361.490	1.193	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000283304330	999748330	/nfs/dbraw/zinc/74/83/30/999748330.db2.gz	FAZFKRAELZWVSO-FHWLQOOXSA-N	1	0	371.481	1.475	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)c(F)c1	ZINC000283565751	999757124	/nfs/dbraw/zinc/75/71/24/999757124.db2.gz	JEEHPHMIQZDIKO-UHFFFAOYSA-N	1	0	361.392	1.875	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)c1ccc(C#N)cc1	ZINC000284013561	999770327	/nfs/dbraw/zinc/77/03/27/999770327.db2.gz	NSTDMFODXKGNSY-HUUCEWRRSA-N	1	0	356.470	1.924	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](CCCO)c2ccccc2)CC1	ZINC000286826487	999951594	/nfs/dbraw/zinc/95/15/94/999951594.db2.gz	WWUCBWZIRNJBEB-SFHVURJKSA-N	1	0	359.470	1.383	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCCCN2C(=O)c3ccccc3C2=O)CC1	ZINC000287322846	999956507	/nfs/dbraw/zinc/95/65/07/999956507.db2.gz	FQKNUIZIIOJWNE-UHFFFAOYSA-N	1	0	370.453	1.622	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C	ZINC000287659867	999959144	/nfs/dbraw/zinc/95/91/44/999959144.db2.gz	BJHGYQVIHCFGBK-ZBFHGGJFSA-N	1	0	373.428	1.861	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccc1F)C(=O)NCCn1cnc(C#N)n1	ZINC000287873525	999968375	/nfs/dbraw/zinc/96/83/75/999968375.db2.gz	NODDWEVSRFUEQF-UHFFFAOYSA-N	1	0	359.409	1.062	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)NCCC[N@@H+](C)CCN(C)C)c1	ZINC000288696949	1000038539	/nfs/dbraw/zinc/03/85/39/1000038539.db2.gz	DRFGLWJGXDVHPQ-UHFFFAOYSA-N	1	0	362.474	1.190	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C	ZINC000288978868	1000065278	/nfs/dbraw/zinc/06/52/78/1000065278.db2.gz	IFKYRYIJBHEPTM-KXBFYZLASA-N	1	0	371.481	1.809	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1	ZINC000289384693	1000095338	/nfs/dbraw/zinc/09/53/38/1000095338.db2.gz	KXBMBFDWNZUBLL-UHFFFAOYSA-N	1	0	359.470	1.430	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)CC2)c1C#N	ZINC000290815230	1000161097	/nfs/dbraw/zinc/16/10/97/1000161097.db2.gz	WFFCJZURNVQZGG-TZMCWYRMSA-N	1	0	374.514	1.780	20	30		FDEDRO
CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000290821002	1000161435	/nfs/dbraw/zinc/16/14/35/1000161435.db2.gz	ASUDUHAKZAHOLJ-CVEARBPZSA-N	1	0	373.505	1.689	20	30		FDEDRO
N#CCCc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1	ZINC000927799542	1001058726	/nfs/dbraw/zinc/05/87/26/1001058726.db2.gz	OUNUVSYSMKBMOQ-IRXDYDNUSA-N	1	0	354.454	1.929	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc[nH]c1CCC)C2	ZINC001110930330	1001064668	/nfs/dbraw/zinc/06/46/68/1001064668.db2.gz	BLRFLOCIVQQMPE-JFTQMJAMSA-N	1	0	356.470	1.440	20	30		FDEDRO
C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1	ZINC000927812977	1001073901	/nfs/dbraw/zinc/07/39/01/1001073901.db2.gz	MYBPAYSIAWQIBA-CXAGYDPISA-N	1	0	353.447	1.811	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C	ZINC000927818143	1001078909	/nfs/dbraw/zinc/07/89/09/1001078909.db2.gz	SCWANYQYRDPCTJ-MCIONIFRSA-N	1	0	360.483	1.849	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)ccc1Cl	ZINC000927845912	1001107220	/nfs/dbraw/zinc/10/72/20/1001107220.db2.gz	AIGNPVNTMBMHPU-JQWIXIFHSA-N	1	0	374.750	1.888	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1	ZINC000927846360	1001109185	/nfs/dbraw/zinc/10/91/85/1001109185.db2.gz	NGUQTFONGDQEBA-GHMZBOCLSA-N	1	0	373.306	1.124	20	30		FDEDRO
CC1(C)CN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C[C@@H]1[NH3+]	ZINC000927852033	1001121847	/nfs/dbraw/zinc/12/18/47/1001121847.db2.gz	ADKBOMFFRFFGCF-SFHVURJKSA-N	1	0	362.433	1.616	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2	ZINC000927926953	1001221625	/nfs/dbraw/zinc/22/16/25/1001221625.db2.gz	JTLFYFNTHPSRKQ-AUUYWEPGSA-N	1	0	356.426	1.661	20	30		FDEDRO
C=CCCC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)C(=O)OC	ZINC000928323366	1001492489	/nfs/dbraw/zinc/49/24/89/1001492489.db2.gz	PGQDIINVNTXZRN-ZACQAIPSSA-N	1	0	362.474	1.470	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)CC1	ZINC000928648734	1001607321	/nfs/dbraw/zinc/60/73/21/1001607321.db2.gz	QWFHKQKLZRQYMX-UHFFFAOYSA-N	1	0	369.252	1.332	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC1	ZINC000928654582	1001611133	/nfs/dbraw/zinc/61/11/33/1001611133.db2.gz	IHYDQVBCZBPKIR-UHFFFAOYSA-N	1	0	368.393	1.736	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1	ZINC000928657238	1001612544	/nfs/dbraw/zinc/61/25/44/1001612544.db2.gz	SXSTWRNSZQMZSN-HNNXBMFYSA-N	1	0	355.438	1.262	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)CC1	ZINC000928657671	1001613219	/nfs/dbraw/zinc/61/32/19/1001613219.db2.gz	SJXFELDJKXMOGY-OAHLLOKOSA-N	1	0	361.392	1.532	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)CC1	ZINC000928658772	1001614001	/nfs/dbraw/zinc/61/40/01/1001614001.db2.gz	QQPLCMVZTGCCDR-AWEZNQCLSA-N	1	0	359.857	1.907	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CCN2c3ccccc3O[C@@H](C)C2=O)CC1	ZINC000928659226	1001614414	/nfs/dbraw/zinc/61/44/14/1001614414.db2.gz	IRMQRPLLDXLDBC-HNNXBMFYSA-N	1	0	355.438	1.404	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)CC1	ZINC000928660416	1001615760	/nfs/dbraw/zinc/61/57/60/1001615760.db2.gz	DFYJSNLKPPHHBH-GOSISDBHSA-N	1	0	353.466	1.557	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1C#N	ZINC000929144085	1001771754	/nfs/dbraw/zinc/77/17/54/1001771754.db2.gz	SAIICTZGTHYKQH-IBGZPJMESA-N	1	0	364.449	1.902	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C	ZINC000947964979	1001984766	/nfs/dbraw/zinc/98/47/66/1001984766.db2.gz	NBUVFOVIAWWDOG-NXHRZFHOSA-N	1	0	371.481	1.922	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)cc1C#N	ZINC000929497639	1002121796	/nfs/dbraw/zinc/12/17/96/1002121796.db2.gz	JRAGAKVXSSVYJK-UHFFFAOYSA-N	1	0	354.454	1.474	20	30		FDEDRO
Cn1cc(C2=NC[C@H](C[NH+]3CCC(Oc4ccc(C#N)cc4)CC3)O2)cn1	ZINC000929515585	1002156519	/nfs/dbraw/zinc/15/65/19/1002156519.db2.gz	DXLUIVVUXTZWAV-LJQANCHMSA-N	1	0	365.437	1.981	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC000948207190	1002177364	/nfs/dbraw/zinc/17/73/64/1002177364.db2.gz	IBENNBUCLOQHQR-ZTFGCOKTSA-N	1	0	371.485	1.583	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CCn2cncn2)CC1	ZINC000948385882	1002292443	/nfs/dbraw/zinc/29/24/43/1002292443.db2.gz	QMQRHFNPLAKOQY-KSZLIROESA-N	1	0	361.490	1.572	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1C#N	ZINC000929782679	1002434766	/nfs/dbraw/zinc/43/47/66/1002434766.db2.gz	QPBSECVGLMVFCJ-INIZCTEOSA-N	1	0	356.470	1.720	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H](COC)c1ccccc1)C1CC[NH+](C)CC1	ZINC000929865375	1002531532	/nfs/dbraw/zinc/53/15/32/1002531532.db2.gz	NYCWRYMKVZKSKN-SFHVURJKSA-N	1	0	357.454	1.046	20	30		FDEDRO
CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CCC[N@H+](Cc2ccccc2C#N)CC1	ZINC000948778840	1002669346	/nfs/dbraw/zinc/66/93/46/1002669346.db2.gz	GNFIRRYVLQCGPG-KURKYZTESA-N	1	0	354.454	1.493	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2nc3c(s2)CCCC3)CC1	ZINC000930007463	1002730639	/nfs/dbraw/zinc/73/06/39/1002730639.db2.gz	RETBKSYZGAAQNT-UHFFFAOYSA-N	1	0	362.499	1.405	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CCC[N@H+](CCn2cncn2)CC1	ZINC000948852166	1002758429	/nfs/dbraw/zinc/75/84/29/1002758429.db2.gz	JETYPAOAYSCUDX-BZSNNMDCSA-N	1	0	361.490	1.572	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@H+](Cc2cnnn2C)CC1	ZINC000948851743	1002759372	/nfs/dbraw/zinc/75/93/72/1002759372.db2.gz	AKAGFKFLEFUFJY-NJAFHUGGSA-N	1	0	361.490	1.609	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[NH+]2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1	ZINC000930071075	1002784638	/nfs/dbraw/zinc/78/46/38/1002784638.db2.gz	BCUKSKLCZHYSBG-LJQANCHMSA-N	1	0	368.481	1.411	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCCc1cccc(OCC)c1)C1CC[NH+](C)CC1	ZINC000930100082	1002812924	/nfs/dbraw/zinc/81/29/24/1002812924.db2.gz	QZNPQYDWHPEUFX-UHFFFAOYSA-N	1	0	371.481	1.300	20	30		FDEDRO
C#CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC000948929741	1002835479	/nfs/dbraw/zinc/83/54/79/1002835479.db2.gz	RYHDFIXTLWXZNQ-NSISKUIASA-N	1	0	355.482	1.444	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccncc1	ZINC000930121336	1002841633	/nfs/dbraw/zinc/84/16/33/1002841633.db2.gz	CMDRLOQJBWJKCP-ROUUACIJSA-N	1	0	372.469	1.185	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1ccc(NC(=O)C2(C#N)CCSCC2)cc1	ZINC000930154305	1002885831	/nfs/dbraw/zinc/88/58/31/1002885831.db2.gz	BWVBGGWSQNQVSC-UHFFFAOYSA-N	1	0	360.483	1.953	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)NCCC[N@H+](C)C(C)C)c1	ZINC000930184897	1002914015	/nfs/dbraw/zinc/91/40/15/1002914015.db2.gz	XWTPPUKSPUWCES-UHFFFAOYSA-N	1	0	350.484	1.944	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1	ZINC000949062076	1002964104	/nfs/dbraw/zinc/96/41/04/1002964104.db2.gz	YDZRIQBTSDIHPX-SQNIBIBYSA-N	1	0	363.502	1.273	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCCCOC)CCC1	ZINC001110987246	1003059738	/nfs/dbraw/zinc/05/97/38/1003059738.db2.gz	LJIDITPBCMWBAH-ZACQAIPSSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1cncn1C)CCO2	ZINC000949194473	1003082308	/nfs/dbraw/zinc/08/23/08/1003082308.db2.gz	YJYXWHMAKZRFMG-IAGOWNOFSA-N	1	0	358.486	1.793	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2cnn(C(C)(C)C(=O)OCC)c2)CC1	ZINC000930416788	1003101773	/nfs/dbraw/zinc/10/17/73/1003101773.db2.gz	CJQWTDGBFIDFBT-UHFFFAOYSA-N	1	0	361.446	1.400	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000949245412	1003138911	/nfs/dbraw/zinc/13/89/11/1003138911.db2.gz	PRCHAJCRRXWLHV-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)CC2)C1	ZINC000949423866	1003329830	/nfs/dbraw/zinc/32/98/30/1003329830.db2.gz	SWQJCCGQVDIOMK-IAGOWNOFSA-N	1	0	356.470	1.240	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H](CC[NH+](C)C)c1cccnc1	ZINC000930769722	1003489248	/nfs/dbraw/zinc/48/92/48/1003489248.db2.gz	RFGABXNMZVLUGC-KURKYZTESA-N	1	0	374.485	1.288	20	30		FDEDRO
C#CC[C@H]1CCC[N@@H+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1	ZINC000930816698	1003540370	/nfs/dbraw/zinc/54/03/70/1003540370.db2.gz	NZGCGAHHKFUQMZ-HOTGVXAUSA-N	1	0	356.532	1.723	20	30		FDEDRO
CN(C)c1ccc([C@H](CNC(=O)C(=O)NCC(C)(C)CC#N)[NH+](C)C)cc1	ZINC000930821837	1003548547	/nfs/dbraw/zinc/54/85/47/1003548547.db2.gz	WKGNHYSHAYBURT-KRWDZBQOSA-N	1	0	373.501	1.528	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC12CC[NH+](C)CC2	ZINC000930859954	1003595770	/nfs/dbraw/zinc/59/57/70/1003595770.db2.gz	HZRYDQOZILGHCQ-GOSISDBHSA-N	1	0	355.482	1.987	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC[C@@H](C)O	ZINC001111291982	1003603925	/nfs/dbraw/zinc/60/39/25/1003603925.db2.gz	VEEAZFINEANCAC-AHCXZYCDSA-N	1	0	357.454	1.590	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12	ZINC000930956977	1003712921	/nfs/dbraw/zinc/71/29/21/1003712921.db2.gz	IEGSHCUEEYIBTJ-CVEARBPZSA-N	1	0	360.483	1.711	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Nc1cccc(N2CCN(C(C)=O)CC2)c1	ZINC000931003800	1003760976	/nfs/dbraw/zinc/76/09/76/1003760976.db2.gz	BUOJJCBDQFUIHQ-UHFFFAOYSA-N	1	0	371.485	1.432	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1ccc2cccnc2c1)C1CC[NH+](C)CC1	ZINC000931104324	1003891585	/nfs/dbraw/zinc/89/15/85/1003891585.db2.gz	HVUATBTWTJRXBK-UHFFFAOYSA-N	1	0	364.449	1.407	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H](CF)c1ccc(F)cc1)C1CC[NH+](C)CC1	ZINC000931154735	1003929044	/nfs/dbraw/zinc/92/90/44/1003929044.db2.gz	VXWQRRXVQDWKRC-QGZVFWFLSA-N	1	0	363.408	1.509	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCc3c(=O)[nH]n(C)c3C2)c(OC)c1	ZINC000931198792	1003954080	/nfs/dbraw/zinc/95/40/80/1003954080.db2.gz	QGIHHWNRTIYVEM-HNNXBMFYSA-N	1	0	373.453	1.661	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C	ZINC000931279729	1004020556	/nfs/dbraw/zinc/02/05/56/1004020556.db2.gz	PLAJWDAXLYKUIO-YIOZNXECSA-N	1	0	356.470	1.822	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Nc1cc(Cl)cc2c1OCC(=O)N2	ZINC000931415783	1004140826	/nfs/dbraw/zinc/14/08/26/1004140826.db2.gz	COEAQWTZNHPIST-UHFFFAOYSA-N	1	0	350.806	1.748	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CCN1CC[NH+](CCCCCO)CC1	ZINC000931492207	1004210987	/nfs/dbraw/zinc/21/09/87/1004210987.db2.gz	JISAXIOZRGJZNG-UHFFFAOYSA-N	1	0	369.465	1.066	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1	ZINC000931595166	1004298710	/nfs/dbraw/zinc/29/87/10/1004298710.db2.gz	XBKZUZPBEQTDPW-QGZVFWFLSA-N	1	0	372.444	1.790	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCc2cc(C#N)ccc2F)C1	ZINC000931596085	1004300274	/nfs/dbraw/zinc/30/02/74/1004300274.db2.gz	QEVKOHBHCJPEDJ-WMLDXEAASA-N	1	0	358.417	1.256	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)N(C)CC2CC[NH+](C)CC2)c1	ZINC000931960510	1004644543	/nfs/dbraw/zinc/64/45/43/1004644543.db2.gz	KJCIKLMSKWDBFY-UHFFFAOYSA-N	1	0	362.495	1.897	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc[nH]c1C1CCC1)C2	ZINC001111021542	1004656460	/nfs/dbraw/zinc/65/64/60/1004656460.db2.gz	XYMYWOFPNJVWST-OIISXLGYSA-N	1	0	354.454	1.367	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](C3OCCO3)C2)c(OC)c1	ZINC000932008212	1004699392	/nfs/dbraw/zinc/69/93/92/1004699392.db2.gz	PZBDSZIEIREJDX-IRXDYDNUSA-N	1	0	363.454	1.858	20	30		FDEDRO
C[C@]1([C@H]2CCC[N@H+](C[C@@H](O)COc3ccccc3C#N)C2)COC(=O)N1	ZINC000932022125	1004712583	/nfs/dbraw/zinc/71/25/83/1004712583.db2.gz	KCVAXEHDGSIPFS-FRQCXROJSA-N	1	0	359.426	1.508	20	30		FDEDRO
N#Cc1cc(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c(F)cc1F	ZINC000932208926	1004830810	/nfs/dbraw/zinc/83/08/10/1004830810.db2.gz	KOEMPVAKURHRHF-HZPDHXFCSA-N	1	0	350.369	1.899	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1C#N	ZINC000932473540	1004976968	/nfs/dbraw/zinc/97/69/68/1004976968.db2.gz	PLHPILKANVYSPF-SFHVURJKSA-N	1	0	354.454	1.570	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH+]1CCN(c2cccc3[nH]c(=O)[nH]c32)CC1	ZINC000932511773	1004994793	/nfs/dbraw/zinc/99/47/93/1004994793.db2.gz	JZFPFYXDLGDZHB-UHFFFAOYSA-N	1	0	356.430	1.153	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nccc3[nH]ccc31)C2	ZINC001111035483	1005028359	/nfs/dbraw/zinc/02/83/59/1005028359.db2.gz	COUDRNXIMPGAAU-WQVCFCJDSA-N	1	0	353.426	1.200	20	30		FDEDRO
N#CC[C@@H](NC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C(F)(F)F	ZINC000932893613	1005233744	/nfs/dbraw/zinc/23/37/44/1005233744.db2.gz	NLGRWNVLDIPRNP-HUUCEWRRSA-N	1	0	370.375	1.897	20	30		FDEDRO
N#CC[C@H](NC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(F)(F)F	ZINC000932915856	1005242671	/nfs/dbraw/zinc/24/26/71/1005242671.db2.gz	PEGUVNCWNVEIQC-GOEBONIOSA-N	1	0	370.375	1.767	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H](CC#N)C(F)(F)F	ZINC000932915810	1005242834	/nfs/dbraw/zinc/24/28/34/1005242834.db2.gz	HIYKOZLDHOVYAI-RYUDHWBXSA-N	1	0	363.384	1.073	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@H](CS(N)(=O)=O)C1	ZINC000932949808	1005268337	/nfs/dbraw/zinc/26/83/37/1005268337.db2.gz	DMVISAIYDJHWHZ-KGLIPLIRSA-N	1	0	371.528	1.262	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1	ZINC000932952991	1005272735	/nfs/dbraw/zinc/27/27/35/1005272735.db2.gz	PQYBHPXQWLPJBU-IBGZPJMESA-N	1	0	371.481	1.571	20	30		FDEDRO
CCO[C@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000932970533	1005293590	/nfs/dbraw/zinc/29/35/90/1005293590.db2.gz	WKWJLPRKYMIVPI-OALUTQOASA-N	1	0	374.460	1.645	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)cc1	ZINC000933057231	1005336517	/nfs/dbraw/zinc/33/65/17/1005336517.db2.gz	XZDFAAPVVRUVKQ-ZWKOTPCHSA-N	1	0	360.454	1.498	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)CN3CCO[C@@](C)(C#N)C3)cc2)CC1	ZINC000933593839	1005586127	/nfs/dbraw/zinc/58/61/27/1005586127.db2.gz	DLBQYYCPULUEEF-FQEVSTJZSA-N	1	0	371.485	1.381	20	30		FDEDRO
Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CCO[C@](C)(C#N)C2)CC1	ZINC000933598421	1005587056	/nfs/dbraw/zinc/58/70/56/1005587056.db2.gz	RDINBCYNKFLJRN-OAQYLSRUSA-N	1	0	370.497	1.644	20	30		FDEDRO
C[C@]1(C#N)CN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CCO1	ZINC000933605274	1005588124	/nfs/dbraw/zinc/58/81/24/1005588124.db2.gz	WMFGMDNPYDIJQB-IBGZPJMESA-N	1	0	374.510	1.788	20	30		FDEDRO
C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC(c2ccc(C#N)cc2)CC1	ZINC000933613489	1005589052	/nfs/dbraw/zinc/58/90/52/1005589052.db2.gz	ZAXKTBUETNINOF-DNVCBOLYSA-N	1	0	368.481	1.850	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C1(C(=O)N2CCOCC2)CCCCC1	ZINC000934061910	1005684811	/nfs/dbraw/zinc/68/48/11/1005684811.db2.gz	MQUNPTYMRSFUBJ-UHFFFAOYSA-N	1	0	351.491	1.562	20	30		FDEDRO
C=CCN1CC[C@H](N2CCN(C3CN(C(=O)OC(C)(C)C)C3)CC2)C1=O	ZINC000934099002	1005691472	/nfs/dbraw/zinc/69/14/72/1005691472.db2.gz	HLPJQJCIKZMIJI-INIZCTEOSA-N	1	0	364.490	1.010	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2c3ccccc3OC[C@H]2CO)cc1	ZINC000934219741	1005712829	/nfs/dbraw/zinc/71/28/29/1005712829.db2.gz	LYVHPJWLMBDDTH-JXXFODFXSA-N	1	0	354.406	1.630	20	30		FDEDRO
CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)C3(C#N)CCSCC3)CC2)CC1	ZINC000935391556	1005903586	/nfs/dbraw/zinc/90/35/86/1005903586.db2.gz	LXKZGSCWLZXSLU-IYBDPMFKSA-N	1	0	350.532	1.698	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCOCC1	ZINC001111107092	1006077732	/nfs/dbraw/zinc/07/77/32/1006077732.db2.gz	IIEVQVCQRDOWEL-MKXGPGLRSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCOC	ZINC001111107498	1006084814	/nfs/dbraw/zinc/08/48/14/1006084814.db2.gz	WWEJBAOMZFKVCD-BDXSIMOUSA-N	1	0	351.491	1.605	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCOCC(F)F)nn1	ZINC001111112572	1006229793	/nfs/dbraw/zinc/22/97/93/1006229793.db2.gz	URVWSGCYDUDKID-BZPMIXESSA-N	1	0	355.389	1.081	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCOC	ZINC001111129407	1006335181	/nfs/dbraw/zinc/33/51/81/1006335181.db2.gz	OZAIRFHCJPYZAW-WKULXVSPSA-N	1	0	352.475	1.352	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(OC)c(C)c1)C2	ZINC001111143810	1006434446	/nfs/dbraw/zinc/43/44/46/1006434446.db2.gz	ADLLBXJHJUGYRX-ZACQAIPSSA-N	1	0	357.454	1.641	20	30		FDEDRO
C=CCC1(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CCCC1	ZINC000652426599	1017051881	/nfs/dbraw/zinc/05/18/81/1017051881.db2.gz	RXVGQSMVBBUSRZ-GOSISDBHSA-N	1	0	364.534	1.829	20	30		FDEDRO
CNC(=O)CCC[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N	ZINC000155263600	1006650641	/nfs/dbraw/zinc/65/06/41/1006650641.db2.gz	XKFILGWJGDPBDP-CQSZACIVSA-N	1	0	351.410	1.682	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CCCC(=O)N2)C3)c1	ZINC001095730443	1006768662	/nfs/dbraw/zinc/76/86/62/1006768662.db2.gz	IVWKDZWVTQXXAO-YRXWBPOGSA-N	1	0	366.465	1.839	20	30		FDEDRO
O=C(C[C@H]1CCCC(=O)N1)N[C@H]1C[C@H]2CC[C@@H]1N2CC#Cc1ccccc1	ZINC001095730836	1006790021	/nfs/dbraw/zinc/79/00/21/1006790021.db2.gz	YJVICULAQKQDOS-ZRNYENFQSA-N	1	0	365.477	1.818	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000956837161	1007195767	/nfs/dbraw/zinc/19/57/67/1007195767.db2.gz	HSCOGUVLEJBCQX-ZSZQSSIHSA-N	1	0	357.458	1.337	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2	ZINC001111263441	1007336144	/nfs/dbraw/zinc/33/61/44/1007336144.db2.gz	QWTHNMAFGZTODP-AQNXPRMDSA-N	1	0	359.514	1.480	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1	ZINC000955366410	1007392524	/nfs/dbraw/zinc/39/25/24/1007392524.db2.gz	RMPBFFYPGVFEBT-KURKYZTESA-N	1	0	363.502	1.510	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1	ZINC000955367640	1007396639	/nfs/dbraw/zinc/39/66/39/1007396639.db2.gz	VDLSMUTWESMRQU-JQHSSLGASA-N	1	0	363.502	1.369	20	30		FDEDRO
C[NH+]1CCC(n2ccc(NC(=O)C(=O)Nc3cccc(C#N)c3)n2)CC1	ZINC000579243187	1007407907	/nfs/dbraw/zinc/40/79/07/1007407907.db2.gz	AEIWWPISQLMAOV-UHFFFAOYSA-N	1	0	352.398	1.599	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@](C)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC000957014781	1007534547	/nfs/dbraw/zinc/53/45/47/1007534547.db2.gz	FYIGWKFZTUBDRP-ZTQAJYAQSA-N	1	0	354.454	1.124	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@](C)(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cn1	ZINC000957016348	1007543273	/nfs/dbraw/zinc/54/32/73/1007543273.db2.gz	QQPHOSRAWQMIQV-UEXGIBASSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@]2(C)CCN(C(=O)C[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000957070006	1007645991	/nfs/dbraw/zinc/64/59/91/1007645991.db2.gz	LELMIRXZMXBSRJ-CNNODRBYSA-N	1	0	371.525	1.875	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)SC)C[C@H]2C)CC1	ZINC000947664136	1007799071	/nfs/dbraw/zinc/79/90/71/1007799071.db2.gz	OCABUNUAECAKKK-IIAWOOMASA-N	1	0	351.516	1.046	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1	ZINC000643477293	1008101617	/nfs/dbraw/zinc/10/16/17/1008101617.db2.gz	TVVUJGGSVSSPPV-WCQYABFASA-N	1	0	371.890	1.491	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)cn1	ZINC000957466509	1008314776	/nfs/dbraw/zinc/31/47/76/1008314776.db2.gz	WNQSOTMAABDCKG-LZQZEXGQSA-N	1	0	368.481	1.512	20	30		FDEDRO
C=CCn1cc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)nn1	ZINC000648857665	1008681544	/nfs/dbraw/zinc/68/15/44/1008681544.db2.gz	KUNMVUPRIGXBIY-KRWDZBQOSA-N	1	0	355.442	1.351	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)cc1	ZINC000646484148	1008821156	/nfs/dbraw/zinc/82/11/56/1008821156.db2.gz	NNIJKKYTUYDCGV-CJNGLKHVSA-N	1	0	351.472	1.316	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC000950256115	1008970186	/nfs/dbraw/zinc/97/01/86/1008970186.db2.gz	UDQBHPCZABJMQV-YESZJQIVSA-N	1	0	358.486	1.735	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)c1ccccc1)C2	ZINC001111314734	1009176681	/nfs/dbraw/zinc/17/66/81/1009176681.db2.gz	PEVZHPLPOMKBHL-KURKYZTESA-N	1	0	357.454	1.341	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]21	ZINC000959946236	1009180284	/nfs/dbraw/zinc/18/02/84/1009180284.db2.gz	NNWMXLIGFZOBPK-GJGATLCTSA-N	1	0	361.486	1.027	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C(N)=O)cc3)C[C@H]21	ZINC000959946137	1009180490	/nfs/dbraw/zinc/18/04/90/1009180490.db2.gz	MKXCCXFFSQMKJH-GFEQUFNTSA-N	1	0	369.465	1.313	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000950518121	1009251888	/nfs/dbraw/zinc/25/18/88/1009251888.db2.gz	WZOWCZHVCCFDDC-HYVNUMGLSA-N	1	0	357.458	1.337	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1	ZINC000646955022	1009335618	/nfs/dbraw/zinc/33/56/18/1009335618.db2.gz	JGQAEVVQCBFVFD-SFHVURJKSA-N	1	0	357.454	1.502	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC000960032929	1009355560	/nfs/dbraw/zinc/35/55/60/1009355560.db2.gz	KYVTZHWZBGCZAQ-SNRMKQJTSA-N	1	0	357.454	1.833	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H]([NH3+])[C@@H](CC)C2)c1	ZINC000647004778	1009384268	/nfs/dbraw/zinc/38/42/68/1009384268.db2.gz	QAWLRLFTIODUBF-BBRMVZONSA-N	1	0	351.472	1.350	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2[nH]ccc2C2CC2)C1	ZINC000950648565	1009469100	/nfs/dbraw/zinc/46/91/00/1009469100.db2.gz	QXDPGMTZOACJMQ-OLMNPRSZSA-N	1	0	368.481	1.566	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccn(C)c(=O)c1	ZINC000960134773	1009571779	/nfs/dbraw/zinc/57/17/79/1009571779.db2.gz	FJKYOYJUAKNSQG-KSZLIROESA-N	1	0	359.470	1.447	20	30		FDEDRO
COc1cccc(NC(=[NH2+])NCC[C@](O)(c2nccn2C)C(F)(F)F)c1	ZINC000303788156	1009584059	/nfs/dbraw/zinc/58/40/59/1009584059.db2.gz	TZOOGDUXGRQPHH-HNNXBMFYSA-N	1	0	371.363	1.996	20	30		FDEDRO
C[C@@H]1CCCN(C(=[NH2+])NCc2cccc(OCCN3CCOCC3)c2)C1	ZINC000303865046	1009643406	/nfs/dbraw/zinc/64/34/06/1009643406.db2.gz	BNOJLGVVUNKLPQ-QGZVFWFLSA-N	1	0	360.502	1.944	20	30		FDEDRO
Cc1ccc([C@H](O)CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)cc1	ZINC000303872509	1009646291	/nfs/dbraw/zinc/64/62/91/1009646291.db2.gz	GJSUGVDJJGQQRK-MRXNPFEDSA-N	1	0	362.474	1.896	20	30		FDEDRO
CN(C)c1ncccc1CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1	ZINC000303885661	1009673471	/nfs/dbraw/zinc/67/34/71/1009673471.db2.gz	JXIUMNLWDJOXBY-UHFFFAOYSA-N	1	0	356.449	1.924	20	30		FDEDRO
N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=[NH2+])N1CCSCC1	ZINC000303975185	1009786809	/nfs/dbraw/zinc/78/68/09/1009786809.db2.gz	ISPPGQZIAMEVAB-UHFFFAOYSA-N	1	0	369.498	1.622	20	30		FDEDRO
C=C1CCC(C(=O)N(C)[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2O)CC1	ZINC000958949950	1009867594	/nfs/dbraw/zinc/86/75/94/1009867594.db2.gz	CCDXHKKHAAEENY-BGTYHANMSA-N	1	0	363.502	1.103	20	30		FDEDRO
N#Cc1nccnc1NC1CC[NH+](CCNC(=O)C[C@@H]2C[C@H]2C2CC2)CC1	ZINC001111340103	1010177957	/nfs/dbraw/zinc/17/79/57/1010177957.db2.gz	QQJLLWJVPBAXIQ-RDJZCZTQSA-N	1	0	368.485	1.777	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000950993741	1010258669	/nfs/dbraw/zinc/25/86/69/1010258669.db2.gz	JKMXKSGWIWQZNR-HLLBOEOZSA-N	1	0	357.458	1.337	20	30		FDEDRO
[NH2+]=C(NCCCNC(=O)C1CCC1)N1CCN(c2ccc(F)cc2)CC1	ZINC000304684736	1010441946	/nfs/dbraw/zinc/44/19/46/1010441946.db2.gz	FWBWJGDFUWYZEA-UHFFFAOYSA-N	1	0	361.465	1.569	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@H](CO)c2ccccc2)CC1	ZINC000304736941	1010476031	/nfs/dbraw/zinc/47/60/31/1010476031.db2.gz	AHFPHZWZHZEAEP-MRXNPFEDSA-N	1	0	362.474	1.630	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCOc2ccc(F)cc2F)CC1	ZINC000304744100	1010476822	/nfs/dbraw/zinc/47/68/22/1010476822.db2.gz	UVNTULBESQCHIR-UHFFFAOYSA-N	1	0	370.400	1.869	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1	ZINC000951132478	1010496336	/nfs/dbraw/zinc/49/63/36/1010496336.db2.gz	SDHQHAJPUPLYTO-OLMNPRSZSA-N	1	0	371.485	1.583	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1	ZINC000951132331	1010496380	/nfs/dbraw/zinc/49/63/80/1010496380.db2.gz	QRRYJCKECROECU-OLMNPRSZSA-N	1	0	371.485	1.583	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1	ZINC000960659522	1010557185	/nfs/dbraw/zinc/55/71/85/1010557185.db2.gz	VJFUCKCKMBVRIV-FCEWJHQRSA-N	1	0	361.486	1.123	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)cc1	ZINC000951444775	1010840294	/nfs/dbraw/zinc/84/02/94/1010840294.db2.gz	VORLQYDAEPAINF-GBESFXJTSA-N	1	0	353.466	1.729	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC000951789811	1011088726	/nfs/dbraw/zinc/08/87/26/1011088726.db2.gz	MZEJHVYHZIAYPM-SJKOYZFVSA-N	1	0	362.393	1.425	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2nnc(C)n2CC)C1	ZINC000962413702	1011241839	/nfs/dbraw/zinc/24/18/39/1011241839.db2.gz	AXTQUTHFVNDCET-OBQMCRIKSA-N	1	0	361.490	1.572	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2nnc(C)s2)C1	ZINC000962414477	1011244008	/nfs/dbraw/zinc/24/40/08/1011244008.db2.gz	PAXGBXTVIFFDDZ-UJJWPFCGSA-N	1	0	350.488	1.812	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1c[nH+]ccc1N(C)C	ZINC000952174876	1011372621	/nfs/dbraw/zinc/37/26/21/1011372621.db2.gz	VSDQXHOLYHSHMM-VBQJREDUSA-N	1	0	358.442	1.069	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2nc3c(cccc3C)[nH]2)CC1	ZINC000305709575	1011790900	/nfs/dbraw/zinc/79/09/00/1011790900.db2.gz	JFCJZKRRDZPWPD-UHFFFAOYSA-N	1	0	358.446	1.897	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@]3(CCN(C(=O)C#CC4CC4)C3)C2)CC[N@@H+]1C	ZINC000952908953	1012106936	/nfs/dbraw/zinc/10/69/36/1012106936.db2.gz	SGOBDPVMOUCYEH-JQVVWYNYSA-N	1	0	371.525	1.971	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCO[C@H]2C2CC2)s1	ZINC000961301644	1012205750	/nfs/dbraw/zinc/20/57/50/1012205750.db2.gz	KLAMJPDJRXHOOB-ZBRFXRBCSA-N	1	0	357.479	1.981	20	30		FDEDRO
CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(C#N)ccc3OC)C[C@H]21	ZINC000961315976	1012229601	/nfs/dbraw/zinc/22/96/01/1012229601.db2.gz	LPAGCWMMSIWKSP-JGLNRKDHSA-N	1	0	369.465	1.928	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)cc1	ZINC000961318052	1012231425	/nfs/dbraw/zinc/23/14/25/1012231425.db2.gz	HATZSXJUXKUNFR-IPJCAIGPSA-N	1	0	367.449	1.156	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+](CC(N)=O)C2)CC1	ZINC000961373220	1012302704	/nfs/dbraw/zinc/30/27/04/1012302704.db2.gz	MDOIRLTYBAVUGJ-KSZLIROESA-N	1	0	363.502	1.404	20	30		FDEDRO
C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC2)C1	ZINC000961410760	1012346772	/nfs/dbraw/zinc/34/67/72/1012346772.db2.gz	IIFWDPVRYNHQSW-OKZBNKHCSA-N	1	0	363.502	1.546	20	30		FDEDRO
CC[C@H](C)C(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1	ZINC001111415905	1012432148	/nfs/dbraw/zinc/43/21/48/1012432148.db2.gz	ADBWJLYSLYOREI-PIKADFDJSA-N	1	0	368.481	1.942	20	30		FDEDRO
C=CCN1CC[C@H](N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)C1=O	ZINC000649751112	1012518179	/nfs/dbraw/zinc/51/81/79/1012518179.db2.gz	DWYMRWULONQNLA-UFYCRDLUSA-N	1	0	355.482	1.749	20	30		FDEDRO
[NH2+]=C(NCCc1ccc(CO)cc1)N1CCN(c2ccc(F)cc2)CC1	ZINC000305783177	1012521705	/nfs/dbraw/zinc/52/17/05/1012521705.db2.gz	VZTVHYPZRJGKFU-UHFFFAOYSA-N	1	0	356.445	1.997	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CCCN(C(=O)C#CC4CC4)[C@@H]3C2)CC[N@@H+]1C	ZINC000963743197	1012623034	/nfs/dbraw/zinc/62/30/34/1012623034.db2.gz	BOAZEMBHBUISDV-INDMIFKZSA-N	1	0	357.498	1.580	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)CC[N@@H+]1C	ZINC000963757081	1012645187	/nfs/dbraw/zinc/64/51/87/1012645187.db2.gz	DTNCOBKEQRPXRW-INDMIFKZSA-N	1	0	357.498	1.580	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC(=O)N1CCC1)C2	ZINC000963816158	1012731065	/nfs/dbraw/zinc/73/10/65/1012731065.db2.gz	RKDRCEIECIAXTC-MIKZSQDASA-N	1	0	361.486	1.217	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)s1	ZINC000961798305	1012848662	/nfs/dbraw/zinc/84/86/62/1012848662.db2.gz	WHIYJQXULHKIBC-GXZBSRFJSA-N	1	0	358.467	1.068	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1C#N	ZINC000961838901	1012918521	/nfs/dbraw/zinc/91/85/21/1012918521.db2.gz	KLKONDVVHZXSKT-KHKZNYETSA-N	1	0	367.449	1.681	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000963945922	1012994855	/nfs/dbraw/zinc/99/48/55/1012994855.db2.gz	QPGGAKGCBHCNIF-DZVNLGKHSA-N	1	0	363.502	1.463	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CCSC1	ZINC000506729239	538905766	/nfs/dbraw/zinc/90/57/66/538905766.db2.gz	DRXSUCFLKLMAAX-IRXDYDNUSA-N	1	0	355.504	1.802	20	30		FDEDRO
CC(=O)NC1CCC([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000190608746	178014187	/nfs/dbraw/zinc/01/41/87/178014187.db2.gz	ZRSISBYXDDAKJK-CTWPCTMYSA-N	1	0	354.454	1.696	20	30		FDEDRO
COc1ccnc(NC2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)n1	ZINC000192873354	178136788	/nfs/dbraw/zinc/13/67/88/178136788.db2.gz	ZCVJTIWIXDNSBD-KRWDZBQOSA-N	1	0	353.426	1.967	20	30		FDEDRO
CN1CCN([C@@H]2CCCC[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)CC1	ZINC000245432183	178356983	/nfs/dbraw/zinc/35/69/83/178356983.db2.gz	OLUGFMUUDAVAHM-WOJBJXKFSA-N	1	0	372.513	1.400	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)[C@@H](C)C1	ZINC000247238299	178481367	/nfs/dbraw/zinc/48/13/67/178481367.db2.gz	OMWODBYGJVMWOO-MAUKXSAKSA-N	1	0	372.469	1.750	20	30		FDEDRO
COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H]1C[N@H+](C)CCN1C	ZINC000264778993	179197355	/nfs/dbraw/zinc/19/73/55/179197355.db2.gz	WJEJSXFYKNSUHN-MRXNPFEDSA-N	1	0	360.458	1.088	20	30		FDEDRO
CCOC(=O)CCS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000265173429	179305054	/nfs/dbraw/zinc/30/50/54/179305054.db2.gz	BWIGJINJMDWJCH-UHFFFAOYSA-N	1	0	367.471	1.205	20	30		FDEDRO
C[N@H+](CCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)C1CC1	ZINC000265431519	179375467	/nfs/dbraw/zinc/37/54/67/179375467.db2.gz	ZKWQRECPLBTMBF-UHFFFAOYSA-N	1	0	352.341	1.309	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCC[C@@H](C2OCCO2)C1	ZINC000528374047	539753915	/nfs/dbraw/zinc/75/39/15/539753915.db2.gz	UPRODLKCICQRHP-OAHLLOKOSA-N	1	0	354.406	1.371	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[N@H+](C)C1CCN(S(C)(=O)=O)CC1	ZINC000268406228	180074211	/nfs/dbraw/zinc/07/42/11/180074211.db2.gz	WSSPUMFKAYHWBY-UHFFFAOYSA-N	1	0	367.471	1.301	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1	ZINC000528469635	539759736	/nfs/dbraw/zinc/75/97/36/539759736.db2.gz	ASEGIYUKWIJGBF-QRVBRYPASA-N	1	0	359.470	1.531	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCC[C@@H](Cn2ccnn2)C1	ZINC000528420459	539757478	/nfs/dbraw/zinc/75/74/78/539757478.db2.gz	KSEYUNSVSOMVQZ-MRXNPFEDSA-N	1	0	363.421	1.290	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1	ZINC000528476339	539760681	/nfs/dbraw/zinc/76/06/81/539760681.db2.gz	MULVHVKZDKNYJY-IIAWOOMASA-N	1	0	358.360	1.933	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1	ZINC000528476343	539760735	/nfs/dbraw/zinc/76/07/35/539760735.db2.gz	MULVHVKZDKNYJY-SQWLQELKSA-N	1	0	358.360	1.933	20	30		FDEDRO
CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl	ZINC000269089068	180213249	/nfs/dbraw/zinc/21/32/49/180213249.db2.gz	JWTQCDIKJQKSMA-ZDUSSCGKSA-N	1	0	366.849	1.623	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC(C)([NH+]2CCOCC2)CC1	ZINC000528728574	539779286	/nfs/dbraw/zinc/77/92/86/539779286.db2.gz	CKDBAVWUKAFQJA-VQIMIIECSA-N	1	0	350.507	1.616	20	30		FDEDRO
CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(C#N)cc1F	ZINC000269325931	180275065	/nfs/dbraw/zinc/27/50/65/180275065.db2.gz	KUSYDURSEGTUFS-CYBMUJFWSA-N	1	0	350.394	1.109	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCN(c2ccccc2)C1=O	ZINC000530229867	539914583	/nfs/dbraw/zinc/91/45/83/539914583.db2.gz	BAAWDPKHLVXULQ-QZTJIDSGSA-N	1	0	351.406	1.693	20	30		FDEDRO
CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccccc2C#N)C1	ZINC000530230906	539915310	/nfs/dbraw/zinc/91/53/10/539915310.db2.gz	DISFGWSTNVXKQL-YGFZKVPJSA-N	1	0	350.484	1.967	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3CC[N@@H+](C(C)C)C3)CC2)c1C#N	ZINC000530360734	539950505	/nfs/dbraw/zinc/95/05/05/539950505.db2.gz	FFTYEGQRDAJXNC-INIZCTEOSA-N	1	0	373.505	1.162	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+]1CC[C@@H](C)C1	ZINC000530566961	540000820	/nfs/dbraw/zinc/00/08/20/540000820.db2.gz	OPAUGCGQHCMNCE-CQSZACIVSA-N	1	0	358.442	1.742	20	30		FDEDRO
CC[N@H+](CCO)CCNC(=O)NCCSCc1ccccc1C#N	ZINC000274634314	181135686	/nfs/dbraw/zinc/13/56/86/181135686.db2.gz	ISOYMQSPRXIOLY-UHFFFAOYSA-N	1	0	350.488	1.405	20	30		FDEDRO
Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)NC1(C#N)CC[NH+](C)CC1	ZINC000530815605	540047902	/nfs/dbraw/zinc/04/79/02/540047902.db2.gz	OCGVHBOMWXPLOK-UHFFFAOYSA-N	1	0	370.457	1.328	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cc(CC#N)ccn2)CC1=O	ZINC000532434302	540163170	/nfs/dbraw/zinc/16/31/70/540163170.db2.gz	VSLXMXBUEQNKHG-CVEARBPZSA-N	1	0	355.442	1.419	20	30		FDEDRO
N#Cc1ccc([C@@H](C(N)=O)N2CCC[C@@H](c3nnc4n3CCC4)C2)cc1	ZINC000532959455	540191681	/nfs/dbraw/zinc/19/16/81/540191681.db2.gz	LEIXVSWRHYQYQH-WBVHZDCISA-N	1	0	350.426	1.502	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1	ZINC000546896454	542254379	/nfs/dbraw/zinc/25/43/79/542254379.db2.gz	XJGFXNZCMMPCDV-INIZCTEOSA-N	1	0	356.474	1.517	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)n(CCC#N)n1	ZINC000533329774	540233539	/nfs/dbraw/zinc/23/35/39/540233539.db2.gz	ISBNANSHADGDFL-ZDUSSCGKSA-N	1	0	374.470	1.524	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087198603	781934353	/nfs/dbraw/zinc/93/43/53/781934353.db2.gz	SANGUSVQCODJSD-FHLIZLRMSA-N	1	0	354.454	1.411	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(C#N)cc1F	ZINC000533330996	540233593	/nfs/dbraw/zinc/23/35/93/540233593.db2.gz	ZNMUTLVFSDIYMH-KBMXLJTQSA-N	1	0	367.446	1.570	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)C[N@@H+]1C1CC1	ZINC000546896414	542254677	/nfs/dbraw/zinc/25/46/77/542254677.db2.gz	IJELUQZJCZKJFA-ZBFHGGJFSA-N	1	0	354.458	1.410	20	30		FDEDRO
C[C@H](C(=O)c1c[nH]c2ncccc12)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000534316379	540352679	/nfs/dbraw/zinc/35/26/79/540352679.db2.gz	XGZDOYSOBSGBTE-LLVKDONJSA-N	1	0	351.414	1.876	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(-c3ccccn3)no2)c1C#N	ZINC000534789275	540412848	/nfs/dbraw/zinc/41/28/48/540412848.db2.gz	CHOSXJBMAZONAJ-UHFFFAOYSA-N	1	0	351.370	1.736	20	30		FDEDRO
N#Cc1ccc([C@@H]([NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)C(N)=O)cc1	ZINC000535410634	540471676	/nfs/dbraw/zinc/47/16/76/540471676.db2.gz	KJZMUGSTUMXKIO-FXAWDEMLSA-N	1	0	362.433	1.723	20	30		FDEDRO
COC(=O)c1cccc(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1C#N	ZINC000535964557	540532054	/nfs/dbraw/zinc/53/20/54/540532054.db2.gz	TXZAAJHKEQRFFL-SFHVURJKSA-N	1	0	370.497	1.947	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1Cn1c(C)nc2ccccc21	ZINC000535963366	540532444	/nfs/dbraw/zinc/53/24/44/540532444.db2.gz	MINMRYUEHAQUSG-OAHLLOKOSA-N	1	0	355.442	1.821	20	30		FDEDRO
COc1cc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)ccc1OCCO	ZINC000537078269	540682213	/nfs/dbraw/zinc/68/22/13/540682213.db2.gz	ZBJVSPFKRIXRCU-AUUYWEPGSA-N	1	0	363.458	1.771	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@]3(CCCOC3)C2)CC1	ZINC000538147608	540816878	/nfs/dbraw/zinc/81/68/78/540816878.db2.gz	NYOHBVOFRRBMAM-AZUAARDMSA-N	1	0	362.518	1.571	20	30		FDEDRO
COC(C)(C)C[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000538349641	540845668	/nfs/dbraw/zinc/84/56/68/540845668.db2.gz	FRFAAOSIBCPXPA-OAHLLOKOSA-N	1	0	364.515	1.814	20	30		FDEDRO
COCC[N@H+](C)CCOc1cccc(CNC(=O)c2c[nH]c(C#N)c2)c1	ZINC000539811684	540996997	/nfs/dbraw/zinc/99/69/97/540996997.db2.gz	JIWQYNJQDSOXMW-UHFFFAOYSA-N	1	0	356.426	1.773	20	30		FDEDRO
C=CCc1cc(CN2CCC[C@H]2CS(=O)(=O)NC)cc(OC)c1O	ZINC000539862336	541001309	/nfs/dbraw/zinc/00/13/09/541001309.db2.gz	GFIHRJJNGQMQIK-HNNXBMFYSA-N	1	0	354.472	1.643	20	30		FDEDRO
C=CCc1cc(CN2CCC[C@@H]2CS(=O)(=O)NC)cc(OC)c1O	ZINC000539862337	541001640	/nfs/dbraw/zinc/00/16/40/541001640.db2.gz	GFIHRJJNGQMQIK-OAHLLOKOSA-N	1	0	354.472	1.643	20	30		FDEDRO
C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1	ZINC000540369157	541051251	/nfs/dbraw/zinc/05/12/51/541051251.db2.gz	LASCCNDOIMJELL-SFHVURJKSA-N	1	0	373.497	1.954	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2ccccc2C#N)C[C@@H]1[NH+]1CCCC1	ZINC000275482093	181329318	/nfs/dbraw/zinc/32/93/18/181329318.db2.gz	NXWHFAWEYFSCBX-GJZGRUSLSA-N	1	0	351.497	1.759	20	30		FDEDRO
C=CCNC(=O)CN1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1	ZINC000541173215	541162687	/nfs/dbraw/zinc/16/26/87/541162687.db2.gz	GFPUBIOSUUYZQG-UHFFFAOYSA-N	1	0	369.425	1.876	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1	ZINC000541800699	541268278	/nfs/dbraw/zinc/26/82/78/541268278.db2.gz	SNIBBAKXFQAVOC-UHFFFAOYSA-N	1	0	362.861	1.838	20	30		FDEDRO
COc1ccc(CCN2C(=O)C[C@@H]([NH+]3CCC(CC#N)CC3)C2=O)cc1	ZINC000541906031	541296259	/nfs/dbraw/zinc/29/62/59/541296259.db2.gz	JRAOKONXLNOYGF-GOSISDBHSA-N	1	0	355.438	1.991	20	30		FDEDRO
CC[NH+](CC)CCOCCNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	ZINC000542596997	541431021	/nfs/dbraw/zinc/43/10/21/541431021.db2.gz	HVDKZQBRHSEJLX-UHFFFAOYSA-N	1	0	366.849	1.625	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC1	ZINC000543758395	541654948	/nfs/dbraw/zinc/65/49/48/541654948.db2.gz	DDPJAZVXNKWWCY-UHFFFAOYSA-N	1	0	359.478	1.478	20	30		FDEDRO
C[NH+](C)C[C@H]1CN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCO1	ZINC000543889914	541678512	/nfs/dbraw/zinc/67/85/12/541678512.db2.gz	WGMJMJQTIMLNAM-AWEZNQCLSA-N	1	0	372.404	1.677	20	30		FDEDRO
C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)C1	ZINC000545154916	541883547	/nfs/dbraw/zinc/88/35/47/541883547.db2.gz	BCZXDAAWANQUDT-OAQYLSRUSA-N	1	0	365.433	1.934	20	30		FDEDRO
Cn1cc(C[NH2+]CC2(OCCO)CCOCC2)c(-c2ccc(C#N)cc2)n1	ZINC000282808440	182059298	/nfs/dbraw/zinc/05/92/98/182059298.db2.gz	XPKUZINMODHVCE-UHFFFAOYSA-N	1	0	370.453	1.606	20	30		FDEDRO
C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)NCc2cccc(C#N)c2)C1	ZINC000284059772	182352057	/nfs/dbraw/zinc/35/20/57/182352057.db2.gz	QPNKMQMLCMJYTM-HOTGVXAUSA-N	1	0	356.470	1.659	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C	ZINC000284083928	182359673	/nfs/dbraw/zinc/35/96/73/182359673.db2.gz	PTCIDWQEOQGLMG-LJQANCHMSA-N	1	0	364.449	1.936	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1	ZINC000545905393	542046352	/nfs/dbraw/zinc/04/63/52/542046352.db2.gz	JXARQKJQANUMEY-UHFFFAOYSA-N	1	0	367.457	2.443	20	30		FDEDRO
CC[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C(=O)N1CCOCC1	ZINC000286212447	183015251	/nfs/dbraw/zinc/01/52/51/183015251.db2.gz	SBECVUKWYMTMFH-IBGZPJMESA-N	1	0	356.470	1.754	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C	ZINC000546612706	542182471	/nfs/dbraw/zinc/18/24/71/542182471.db2.gz	QKXFDMWBOHQNOB-HOCLYGCPSA-N	1	0	365.441	2.148	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)n1	ZINC000286893261	183167854	/nfs/dbraw/zinc/16/78/54/183167854.db2.gz	INZNOGHOTRZAOE-UHFFFAOYSA-N	1	0	353.430	1.067	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12	ZINC000290701814	183696533	/nfs/dbraw/zinc/69/65/33/183696533.db2.gz	KAGSHFYMKRTBKR-IPMKNSEASA-N	1	0	357.454	1.500	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)cnc1C(F)(F)F	ZINC000295547820	184082220	/nfs/dbraw/zinc/08/22/20/184082220.db2.gz	SQNDMOFUWHXSAN-ZDUSSCGKSA-N	1	0	356.348	1.549	20	30		FDEDRO
CC[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CCO1	ZINC000297500143	184279184	/nfs/dbraw/zinc/27/91/84/184279184.db2.gz	CXHFQCYHPDCYNX-SFHVURJKSA-N	1	0	372.469	1.086	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC(CC[NH+](C)C)CC1	ZINC000297945789	184360909	/nfs/dbraw/zinc/36/09/09/184360909.db2.gz	RPJKUFMIMGJLBQ-UHFFFAOYSA-N	1	0	356.470	1.707	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)cnc1C(F)(F)F	ZINC000298116056	184395660	/nfs/dbraw/zinc/39/56/60/184395660.db2.gz	AMKMIFQXUOTQAH-CYBMUJFWSA-N	1	0	356.348	1.549	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@H](CO)C[NH+]2CCCCC2)cnc1C(F)(F)F	ZINC000298116060	184395768	/nfs/dbraw/zinc/39/57/68/184395768.db2.gz	AMKMIFQXUOTQAH-ZDUSSCGKSA-N	1	0	356.348	1.549	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2csc(-c3ccccn3)n2)CC1	ZINC000547286507	542300456	/nfs/dbraw/zinc/30/04/56/542300456.db2.gz	SJYCOZIRGCQBEP-UHFFFAOYSA-N	1	0	371.466	1.910	20	30		FDEDRO
CCCCOc1ccc(C(=O)NCC(=O)NC2(C#N)CC[NH+](C)CC2)cc1	ZINC000548432762	542666260	/nfs/dbraw/zinc/66/62/60/542666260.db2.gz	YBXILTHFFKLDNG-UHFFFAOYSA-N	1	0	372.469	1.699	20	30		FDEDRO
Cn1ccnc1N1CCC(NS(=O)(=O)CC2(C#N)CCCC2)CC1	ZINC000548985444	542817842	/nfs/dbraw/zinc/81/78/42/542817842.db2.gz	RUWMNACJAMZNPV-UHFFFAOYSA-N	1	0	351.476	1.392	20	30		FDEDRO
C=C(C)Cn1c(COCC)nnc1N1CCC(C[NH+]2CCOCC2)CC1	ZINC000549263735	542860509	/nfs/dbraw/zinc/86/05/09/542860509.db2.gz	LSLWEFWVPBGQID-UHFFFAOYSA-N	1	0	363.506	1.939	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCCN(c3ncccn3)C2)cc1	ZINC000549154012	542844795	/nfs/dbraw/zinc/84/47/95/542844795.db2.gz	RQWKMNWGNZXPLZ-IRXDYDNUSA-N	1	0	353.426	1.347	20	30		FDEDRO
CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N(C)CCC#N)c2)CC1	ZINC000549308611	542865482	/nfs/dbraw/zinc/86/54/82/542865482.db2.gz	GUEJDHITGKZNRQ-UHFFFAOYSA-N	1	0	357.458	1.528	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)NCc1cccnc1N1CC[NH+](C)CC1	ZINC000550122245	543013574	/nfs/dbraw/zinc/01/35/74/543013574.db2.gz	JDYYWTYYQUBCDB-UHFFFAOYSA-N	1	0	350.426	1.339	20	30		FDEDRO
CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)N1CCC(C#N)CC1	ZINC000550538899	543122741	/nfs/dbraw/zinc/12/27/41/543122741.db2.gz	KUYGWWYEHLFDDG-UHFFFAOYSA-N	1	0	356.470	1.907	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1	ZINC000551021081	543217481	/nfs/dbraw/zinc/21/74/81/543217481.db2.gz	WFZPIRRSVKENPG-UHFFFAOYSA-N	1	0	353.532	1.889	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1	ZINC000551025170	543218798	/nfs/dbraw/zinc/21/87/98/543218798.db2.gz	UPXAPROPNJVICQ-MRXNPFEDSA-N	1	0	355.548	1.895	20	30		FDEDRO
C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)C[C@@H](C)C1	ZINC000551372346	543275935	/nfs/dbraw/zinc/27/59/35/543275935.db2.gz	NLCPRRNGVLLXQG-DCGLDWPTSA-N	1	0	358.417	1.825	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1	ZINC000551371428	543275978	/nfs/dbraw/zinc/27/59/78/543275978.db2.gz	VJXMCJBJWWXSQU-JJRVBVJISA-N	1	0	370.453	1.694	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1	ZINC000551951499	543386184	/nfs/dbraw/zinc/38/61/84/543386184.db2.gz	AJEOPHFJNLGPQO-UHFFFAOYSA-N	1	0	355.486	1.751	20	30		FDEDRO
CC(C)(C)[N@@H+]1C[C@@H](C(=O)NCCn2cnc(C#N)n2)[C@H](C(F)(F)F)C1	ZINC000552119958	543421185	/nfs/dbraw/zinc/42/11/85/543421185.db2.gz	KIBAKFVSAUYJJL-GHMZBOCLSA-N	1	0	358.368	1.175	20	30		FDEDRO
CC(=O)Nc1cccc(OCC[NH2+]Cc2cnc3c(C#N)cnn3c2)c1	ZINC000552400007	543462873	/nfs/dbraw/zinc/46/28/73/543462873.db2.gz	VOEPHWGTAISSOD-UHFFFAOYSA-N	1	0	350.382	1.728	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1	ZINC000552781938	543517256	/nfs/dbraw/zinc/51/72/56/543517256.db2.gz	IQIGAUFXVQRFTB-XGHPGWEVSA-N	1	0	351.491	1.320	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1	ZINC000173453685	258299673	/nfs/dbraw/zinc/29/96/73/258299673.db2.gz	NGLWREMLFSPKNX-KRWDZBQOSA-N	1	0	364.515	1.417	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)N(C)Cc1ccc(C#N)cc1)[NH+]1CCN(C)CC1	ZINC000079126250	172158699	/nfs/dbraw/zinc/15/86/99/172158699.db2.gz	AUJDADMPBVMDII-LJQANCHMSA-N	1	0	357.502	1.972	20	30		FDEDRO
CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000091226226	172279072	/nfs/dbraw/zinc/27/90/72/172279072.db2.gz	PIUOHVKGEIPNEF-OAHLLOKOSA-N	1	0	374.489	1.829	20	30		FDEDRO
Cc1noc(CCNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000102035507	172344762	/nfs/dbraw/zinc/34/47/62/172344762.db2.gz	QBSAMBXZVKJBNU-UHFFFAOYSA-N	1	0	368.441	1.710	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(S(=O)(=O)c3cccc(C)c3C#N)CC2)c1	ZINC000133035588	173251535	/nfs/dbraw/zinc/25/15/35/173251535.db2.gz	CHPHFINXFFSUCA-UHFFFAOYSA-N	1	0	372.450	1.781	20	30		FDEDRO
CC[N@H+](C)CCNC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	ZINC000164129211	173804767	/nfs/dbraw/zinc/80/47/67/173804767.db2.gz	PCHLWZFCUJJNKY-UHFFFAOYSA-N	1	0	357.439	1.688	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1	ZINC000176000193	174044084	/nfs/dbraw/zinc/04/40/84/174044084.db2.gz	BXADJCKZRIANLK-CQSZACIVSA-N	1	0	358.417	1.970	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+]C1(C(N)=O)CCCCC1	ZINC000177123961	174107373	/nfs/dbraw/zinc/10/73/73/174107373.db2.gz	JRISUOPIRKFTOV-UHFFFAOYSA-N	1	0	366.425	1.460	20	30		FDEDRO
Cc1nc(C(=O)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1C#N	ZINC000177772379	174156268	/nfs/dbraw/zinc/15/62/68/174156268.db2.gz	MXJVRTBIZSRXEH-SFHVURJKSA-N	1	0	350.422	1.411	20	30		FDEDRO
CNC(=O)[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C(C)C	ZINC000178432210	174187081	/nfs/dbraw/zinc/18/70/81/174187081.db2.gz	BVRIOYKXPJCZBW-SFHVURJKSA-N	1	0	371.485	1.546	20	30		FDEDRO
Cn1cc(C[NH2+]CCN2CCCS2(=O)=O)c(-c2ccc(C#N)cc2)n1	ZINC000180172728	258363526	/nfs/dbraw/zinc/36/35/26/258363526.db2.gz	DHSOSHYFJOUXHW-UHFFFAOYSA-N	1	0	359.455	1.084	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)c(F)c1	ZINC000178861601	258337633	/nfs/dbraw/zinc/33/76/33/258337633.db2.gz	RKXVUNPVOSEULI-UHFFFAOYSA-N	1	0	374.416	1.207	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1C#N	ZINC000179039303	258342610	/nfs/dbraw/zinc/34/26/10/258342610.db2.gz	GWFSOBQZOIXONN-AWEZNQCLSA-N	1	0	358.442	1.694	20	30		FDEDRO
Cc1nc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)ccc1C#N	ZINC000183439607	258379403	/nfs/dbraw/zinc/37/94/03/258379403.db2.gz	BKURMPSINLLAAD-GOSISDBHSA-N	1	0	350.422	1.758	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000247449964	258398975	/nfs/dbraw/zinc/39/89/75/258398975.db2.gz	SPWHGWPYBLHEPX-CVEARBPZSA-N	1	0	371.489	1.443	20	30		FDEDRO
N#CCCCCNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1	ZINC000553270147	543599053	/nfs/dbraw/zinc/59/90/53/543599053.db2.gz	BOXSBAWKSLJQMG-UHFFFAOYSA-N	1	0	366.531	1.664	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](CCO)CC(C)C)CC1	ZINC000553330004	543610527	/nfs/dbraw/zinc/61/05/27/543610527.db2.gz	WQKMRGXFBGGUCF-INIZCTEOSA-N	1	0	353.507	1.304	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCOC[C@@H]2CC(C)C)CC1	ZINC000553372288	543621154	/nfs/dbraw/zinc/62/11/54/543621154.db2.gz	MVULJYWALXTVBM-KRWDZBQOSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(CCc2nccs2)C(C)C)CC1	ZINC000553669879	543677916	/nfs/dbraw/zinc/67/79/16/543677916.db2.gz	NPANCJYXQCWPAB-UHFFFAOYSA-N	1	0	364.515	1.689	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCOC[C@H]2c2ccccc2)CC1	ZINC000553669660	543678083	/nfs/dbraw/zinc/67/80/83/543678083.db2.gz	YOALIKLEOREHSX-SFHVURJKSA-N	1	0	357.454	1.353	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CC3(CCCC3)OC(C)(C)C2)CC1	ZINC000553670500	543678702	/nfs/dbraw/zinc/67/87/02/543678702.db2.gz	FQSMLBPJDCGKGY-UHFFFAOYSA-N	1	0	363.502	1.703	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCCCC[NH+]1CCCCC1	ZINC000554279580	543774410	/nfs/dbraw/zinc/77/44/10/543774410.db2.gz	NVROCGLGDZGUGT-QZTJIDSGSA-N	1	0	365.518	1.856	20	30		FDEDRO
COc1ccccc1[C@H](C[NH2+]C[C@H]1CNc2c(C#N)cnn2C1)N(C)C	ZINC000554523476	543816370	/nfs/dbraw/zinc/81/63/70/543816370.db2.gz	LEPDLJQUZAGETR-YOEHRIQHSA-N	1	0	354.458	1.698	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000554616505	543837605	/nfs/dbraw/zinc/83/76/05/543837605.db2.gz	KAGVCJKMDCIOSP-KRWDZBQOSA-N	1	0	356.474	1.659	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC#Cc2cccc(F)c2)CC1	ZINC000555209620	543926283	/nfs/dbraw/zinc/92/62/83/543926283.db2.gz	BBVFMAMXLNPLKJ-UHFFFAOYSA-N	1	0	374.460	1.373	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)N2CCN(c3cnccc3C#N)CC2)C[N@@H+]1C1CC1	ZINC000555560344	543974065	/nfs/dbraw/zinc/97/40/65/543974065.db2.gz	YLJILBRCSVJTFH-GDBMZVCRSA-N	1	0	354.458	1.410	20	30		FDEDRO
CN(Cc1ccccc1)C(=O)C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1	ZINC000555564544	543975148	/nfs/dbraw/zinc/97/51/48/543975148.db2.gz	PFYBHXLLADIUSX-GOSISDBHSA-N	1	0	353.422	1.546	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1	ZINC000556036974	544079347	/nfs/dbraw/zinc/07/93/47/544079347.db2.gz	BWVOTNPWFQQPOJ-UHFFFAOYSA-N	1	0	354.454	1.509	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2cnn(-c3ccccc3)c2)CC1	ZINC000555812480	544035045	/nfs/dbraw/zinc/03/50/45/544035045.db2.gz	QVAGOPWVZKXHMG-UHFFFAOYSA-N	1	0	367.453	1.255	20	30		FDEDRO
CC(C)(C#N)CCS(=O)(=O)NCc1ccc(N2CCOCC2)nc1	ZINC000555947007	544061099	/nfs/dbraw/zinc/06/10/99/544061099.db2.gz	CPCDBJSETJNONY-UHFFFAOYSA-N	1	0	352.460	1.277	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@@H](C)OC[C@H]1CC)C(C)C	ZINC000556209896	544118360	/nfs/dbraw/zinc/11/83/60/544118360.db2.gz	ZOFJVFPPCMYNTQ-KZNAEPCWSA-N	1	0	365.518	1.827	20	30		FDEDRO
CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cnc3c(C#N)cnn3c2)cc1	ZINC000556215872	544119204	/nfs/dbraw/zinc/11/92/04/544119204.db2.gz	SDSYAFNLFZZXIY-LBPRGKRZSA-N	1	0	370.438	1.360	20	30		FDEDRO
COc1cccc(C(=O)NCC[NH2+]Cc2cnc3c(C#N)cnn3c2)c1	ZINC000556228457	544120370	/nfs/dbraw/zinc/12/03/70/544120370.db2.gz	RXGAXCSOVSVPRO-UHFFFAOYSA-N	1	0	350.382	1.129	20	30		FDEDRO
C=CCn1c(N2CC[NH+](C[C@@H]3CCOC3)CC2)nnc1[C@@]1(C)CCCO1	ZINC000556444393	544144904	/nfs/dbraw/zinc/14/49/04/544144904.db2.gz	FACUMRXJGNBETO-QFBILLFUSA-N	1	0	361.490	1.648	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)NCC[C@@H]3CCC[NH2+]C3)n2)c(F)c1	ZINC000557004394	544232768	/nfs/dbraw/zinc/23/27/68/544232768.db2.gz	UWJSZBDWYAPGCR-ZDUSSCGKSA-N	1	0	356.405	2.394	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)C2)c(F)c1	ZINC000557145701	544253698	/nfs/dbraw/zinc/25/36/98/544253698.db2.gz	NYEOJDSQZOZCLN-RKVPGOIHSA-N	1	0	357.433	1.669	20	30		FDEDRO
CN(C)C(=O)C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccccc1	ZINC000557480041	544296284	/nfs/dbraw/zinc/29/62/84/544296284.db2.gz	UZGVNJUOYIVXBB-KRWDZBQOSA-N	1	0	355.442	1.452	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)CSc3ccc(C#N)cc3)CC2)C1=O	ZINC000557497464	544299824	/nfs/dbraw/zinc/29/98/24/544299824.db2.gz	RNYKZGAVYPTFIV-KRWDZBQOSA-N	1	0	372.494	1.462	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2c(F)cccc2OC)CC1	ZINC000557732898	544337990	/nfs/dbraw/zinc/33/79/90/544337990.db2.gz	HLCARKHCBIRBPX-ZDUSSCGKSA-N	1	0	363.433	1.778	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2c2cc(C)no2)CC1	ZINC000557768916	544344420	/nfs/dbraw/zinc/34/44/20/544344420.db2.gz	KZINNPXQCIYDJV-MRXNPFEDSA-N	1	0	360.458	1.803	20	30		FDEDRO
CC(C)(C#N)CCS(=O)(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000558440060	544433193	/nfs/dbraw/zinc/43/31/93/544433193.db2.gz	CTUSWWNHDURHNO-SFHVURJKSA-N	1	0	365.499	1.483	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)NCC1(SC)CC[NH+](C)CC1	ZINC000558483900	544446266	/nfs/dbraw/zinc/44/62/66/544446266.db2.gz	LKJSQVLMJZFSLC-UHFFFAOYSA-N	1	0	369.512	1.673	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C(C)C)C2(CO)CCC2)CC1	ZINC000559439648	544685105	/nfs/dbraw/zinc/68/51/05/544685105.db2.gz	ZNOHTOLCPGYLKH-MJGOQNOKSA-N	1	0	364.534	1.456	20	30		FDEDRO
COCC[N@H+](C)CCNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N	ZINC000559628664	544748420	/nfs/dbraw/zinc/74/84/20/544748420.db2.gz	QXQMPAXWROQCKZ-UHFFFAOYSA-N	1	0	366.487	1.550	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCO[C@@](C)(CC)C1)C(C)C	ZINC000559866883	544827175	/nfs/dbraw/zinc/82/71/75/544827175.db2.gz	CMULEPFQVUFLSF-XLIONFOSSA-N	1	0	365.518	1.829	20	30		FDEDRO
C[C@@H]1C[NH+](CCCCNc2ccc(S(N)(=O)=O)cc2C#N)C[C@@H](C)O1	ZINC000301742781	259032488	/nfs/dbraw/zinc/03/24/88/259032488.db2.gz	YTGREGAJGPAMRM-ZIAGYGMSSA-N	1	0	366.487	1.507	20	30		FDEDRO
CCc1nnc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c(C#N)c1CC	ZINC000301962706	259036570	/nfs/dbraw/zinc/03/65/70/259036570.db2.gz	NBRCRBSNNQJXIS-QGZVFWFLSA-N	1	0	356.474	1.392	20	30		FDEDRO
C[NH+](C)C1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CCCC1	ZINC000331290250	259185515	/nfs/dbraw/zinc/18/55/15/259185515.db2.gz	VZDBSEYLZQKUTK-UHFFFAOYSA-N	1	0	352.416	1.619	20	30		FDEDRO
CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)c1ccnc(C#N)c1	ZINC000331731253	259216441	/nfs/dbraw/zinc/21/64/41/259216441.db2.gz	PTLIWWZXJOSLBR-MAUKXSAKSA-N	1	0	352.442	1.842	20	30		FDEDRO
C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[C@@H]1[NH3+]	ZINC000331904790	259228097	/nfs/dbraw/zinc/22/80/97/259228097.db2.gz	SVHWCRVGOQKWAQ-XOKHGSTOSA-N	1	0	355.442	1.432	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)C[C@H]1[NH+]1CCCC1	ZINC000332105142	259242010	/nfs/dbraw/zinc/24/20/10/259242010.db2.gz	ZOTGEICEYFLWFD-CVEARBPZSA-N	1	0	351.497	1.759	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C1(C[NH+](C)C)CCCCC1	ZINC000332375571	259261154	/nfs/dbraw/zinc/26/11/54/259261154.db2.gz	NBVBBSAQQUDQCI-INIZCTEOSA-N	1	0	370.501	1.897	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1	ZINC000332449730	259267650	/nfs/dbraw/zinc/26/76/50/259267650.db2.gz	DYZJOPUTMPWTKW-QGZVFWFLSA-N	1	0	355.442	1.637	20	30		FDEDRO
N#Cc1c(C#N)c(N2CC[C@H](N3CC[NH2+]CC3)C2)nc2c1CCCCCC2	ZINC000333481394	259352676	/nfs/dbraw/zinc/35/26/76/259352676.db2.gz	FOUVJGLKAZDURV-INIZCTEOSA-N	1	0	364.497	1.968	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1	ZINC000333526132	259356385	/nfs/dbraw/zinc/35/63/85/259356385.db2.gz	OZBMAQUAKIGPCT-WBVHZDCISA-N	1	0	370.453	1.138	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CC[C@@]4(CC[NH2+]C4)C3)C2=O)cc1	ZINC000333593881	259361999	/nfs/dbraw/zinc/36/19/99/259361999.db2.gz	OSIHFBDBJQYPIG-YLJYHZDGSA-N	1	0	367.453	1.449	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)C2=O)cc1	ZINC000333667497	259367922	/nfs/dbraw/zinc/36/79/22/259367922.db2.gz	XUDAKTSIZQIKCI-BZSNNMDCSA-N	1	0	367.453	1.053	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC4(CC[NH2+]4)CC3)C2=O)cc1	ZINC000333778928	259380746	/nfs/dbraw/zinc/38/07/46/259380746.db2.gz	DKQZQJWKBJUNJM-QGZVFWFLSA-N	1	0	367.453	1.591	20	30		FDEDRO
N#Cc1ccc(OC2CCC(NC(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)CC2)nc1	ZINC000333779907	259380853	/nfs/dbraw/zinc/38/08/53/259380853.db2.gz	KSRFHYKFDAWIQW-KNXWPPODSA-N	1	0	369.469	1.894	20	30		FDEDRO
C[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H](C)C[NH2+]1	ZINC000333826974	259385480	/nfs/dbraw/zinc/38/54/80/259385480.db2.gz	SBKNHBCWLOLUPC-JKIFEVAISA-N	1	0	355.442	1.051	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)cc1Br	ZINC000333847105	259387064	/nfs/dbraw/zinc/38/70/64/259387064.db2.gz	MOSWULZNJVQSHR-NSHDSACASA-N	1	0	358.261	1.741	20	30		FDEDRO
N#Cc1ccccc1N1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1	ZINC000333892343	259390799	/nfs/dbraw/zinc/39/07/99/259390799.db2.gz	HEXVPYLVKPZITK-FGTMMUONSA-N	1	0	353.470	1.778	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)cc1	ZINC000333914294	259393490	/nfs/dbraw/zinc/39/34/90/259393490.db2.gz	MJLROFMONPBLDM-HSALFYBXSA-N	1	0	367.497	1.774	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)ccc1F	ZINC000361390211	259459849	/nfs/dbraw/zinc/45/98/49/259459849.db2.gz	FGUSBLPFFBEORX-QRTARXTBSA-N	1	0	356.401	1.579	20	30		FDEDRO
N#Cc1ccccc1N1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1	ZINC000365182268	259819241	/nfs/dbraw/zinc/81/92/41/259819241.db2.gz	HFJLQUKNSFJYMQ-MSOLQXFVSA-N	1	0	369.469	1.253	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)CN2CCO[C@H](c3cccc(C#N)c3)C2)CC1	ZINC000367142296	260000578	/nfs/dbraw/zinc/00/05/78/260000578.db2.gz	UNPXIDLYMPQENO-FQEVSTJZSA-N	1	0	370.497	1.921	20	30		FDEDRO
Cn1cc([C@@H]2C[C@H]2C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cn1	ZINC000367353103	260029267	/nfs/dbraw/zinc/02/92/67/260029267.db2.gz	JPTWIAFBUOAWDC-RBUKOAKNSA-N	1	0	351.454	1.986	20	30		FDEDRO
C[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000367438063	260041737	/nfs/dbraw/zinc/04/17/37/260041737.db2.gz	ZYENDVNGKKSJOA-SUMWQHHRSA-N	1	0	358.446	1.511	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](N3CCC[C@H](N4CCNC4=O)C3)C2=O)cc1	ZINC000368017360	260123728	/nfs/dbraw/zinc/12/37/28/260123728.db2.gz	JUNRPKAVQJDCGS-ROUUACIJSA-N	1	0	367.453	1.543	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1C1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1	ZINC000368569835	260203894	/nfs/dbraw/zinc/20/38/94/260203894.db2.gz	YAEYSFIUHWEIJG-HNNXBMFYSA-N	1	0	362.499	1.676	20	30		FDEDRO
N#Cc1ncn(C2CC[NH+](C[C@H](O)COCc3ccccc3F)CC2)n1	ZINC000369389714	260354663	/nfs/dbraw/zinc/35/46/63/260354663.db2.gz	RRPBMIAWWJNNOW-INIZCTEOSA-N	1	0	359.405	1.503	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(C#N)nc2)[C@H]1c1cccs1	ZINC000369539979	260386591	/nfs/dbraw/zinc/38/65/91/260386591.db2.gz	LGXBINRGOQSLQG-LRDDRELGSA-N	1	0	362.480	1.986	20	30		FDEDRO
C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC[N@@H+]1C	ZINC000373697915	261032541	/nfs/dbraw/zinc/03/25/41/261032541.db2.gz	CFQDSHXQTXFTHK-LZQZEXGQSA-N	1	0	368.481	1.990	20	30		FDEDRO
N#Cc1cccc(OCCCN2CCCN(S(=O)(=O)C3CC3)CC2)c1	ZINC000374828103	261205973	/nfs/dbraw/zinc/20/59/73/261205973.db2.gz	JITYJPTUNVSATN-UHFFFAOYSA-N	1	0	363.483	1.827	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)c2ccc(C#N)c(Cl)n2)CC1	ZINC000375091735	261266865	/nfs/dbraw/zinc/26/68/65/261266865.db2.gz	ULXNTAOAUZZXFA-UHFFFAOYSA-N	1	0	370.844	1.683	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ncc(C#N)cc2Cl)CC1	ZINC000408395019	262103764	/nfs/dbraw/zinc/10/37/64/262103764.db2.gz	LWXIZYNKJLRARI-OAHLLOKOSA-N	1	0	361.877	1.849	20	30		FDEDRO
CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)[C@@H](C)n1cnc(C#N)n1	ZINC000409843313	262142106	/nfs/dbraw/zinc/14/21/06/262142106.db2.gz	HIJNSZAYPMPSIM-GFCCVEGCSA-N	1	0	360.384	1.834	20	30		FDEDRO
C[C@@H](C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)n1cnc(C#N)n1	ZINC000409957246	262147705	/nfs/dbraw/zinc/14/77/05/262147705.db2.gz	PTPSONHKBWNXFO-KXBFYZLASA-N	1	0	352.442	1.882	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)cn1	ZINC000892187579	782068219	/nfs/dbraw/zinc/06/82/19/782068219.db2.gz	LXTMBZVZAOIAFN-OWCLPIDISA-N	1	0	354.458	1.173	20	30		FDEDRO
CN(CCC#N)c1ccc(C[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cc1	ZINC000271074744	674305642	/nfs/dbraw/zinc/30/56/42/674305642.db2.gz	NQMRPTGXKLAPLU-GOSISDBHSA-N	1	0	364.515	1.940	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1ccc2c(c1)OCCO2	ZINC000534832073	490413417	/nfs/dbraw/zinc/41/34/17/490413417.db2.gz	PYSRYVGPSLUBSJ-UHFFFAOYSA-N	1	0	370.413	1.138	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)nn1CCC#N	ZINC000504062579	490787396	/nfs/dbraw/zinc/78/73/96/490787396.db2.gz	WSYWTNFNFUYXEM-KBPBESRZSA-N	1	0	360.462	1.423	20	30		FDEDRO
N#Cc1cc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)nc(C2CC2)n1	ZINC000603422975	492031801	/nfs/dbraw/zinc/03/18/01/492031801.db2.gz	LCYNXBLVHFBFBP-MRXNPFEDSA-N	1	0	356.474	1.434	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)C1CC[NH+](C)CC1	ZINC000615189642	492077640	/nfs/dbraw/zinc/07/76/40/492077640.db2.gz	MOGVDKCVDSFCGO-GFCCVEGCSA-N	1	0	360.462	1.295	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1CC[NH+](Cc2cccc3ccccc32)CC1	ZINC000023478895	518953671	/nfs/dbraw/zinc/95/36/71/518953671.db2.gz	CGPKORGRAIQFSH-UHFFFAOYSA-N	1	0	366.465	1.969	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNS(=O)(=O)c3cccc(C#N)c3)ccn2)CC1	ZINC000056070295	521778672	/nfs/dbraw/zinc/77/86/72/521778672.db2.gz	MNJREWNWPXRDJQ-UHFFFAOYSA-N	1	0	371.466	1.184	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000056788645	521909695	/nfs/dbraw/zinc/90/96/95/521909695.db2.gz	VXNVOPKTVRYUON-DLBZAZTESA-N	1	0	370.501	1.905	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NCC[N@H+]3CCC[C@H](C)C3)cc2C1=O	ZINC000044533301	521965827	/nfs/dbraw/zinc/96/58/27/521965827.db2.gz	FYVDIQBPBIBUOS-AWEZNQCLSA-N	1	0	355.438	1.930	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1	ZINC000057669259	522123445	/nfs/dbraw/zinc/12/34/45/522123445.db2.gz	MVXGYUHQOJWHDR-UHFFFAOYSA-N	1	0	372.425	1.295	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCC[NH+]2CCCCC2)c1	ZINC000046854121	522369752	/nfs/dbraw/zinc/36/97/52/522369752.db2.gz	QHEAZPRXECHOHE-UHFFFAOYSA-N	1	0	351.472	1.367	20	30		FDEDRO
Cc1cc(C(=O)N(CCC#N)CCC[NH+](C)C)cc(S(N)(=O)=O)c1C	ZINC000073078907	522463333	/nfs/dbraw/zinc/46/33/33/522463333.db2.gz	HGDFJQSOUJECPN-UHFFFAOYSA-N	1	0	366.487	1.258	20	30		FDEDRO
C[NH+]1CCC(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)CC1	ZINC000073226839	522492292	/nfs/dbraw/zinc/49/22/92/522492292.db2.gz	AJCWCTBZOKTRST-MRXNPFEDSA-N	1	0	358.467	1.740	20	30		FDEDRO
C[NH+]=C(NC[C@@H](c1ccco1)N(C)C)N1CCN(c2ncccn2)CC1	ZINC000073447763	522531105	/nfs/dbraw/zinc/53/11/05/522531105.db2.gz	DONKGOLPMUSNOE-HNNXBMFYSA-N	1	0	357.462	1.070	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)NCc2ccc(C#N)cc2F)CC1	ZINC000074127888	522688623	/nfs/dbraw/zinc/68/86/23/522688623.db2.gz	RRDRJEUWXQLGAE-HNNXBMFYSA-N	1	0	361.465	1.770	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CCCNC(=O)c1ccsc1	ZINC000064361647	522706989	/nfs/dbraw/zinc/70/69/89/522706989.db2.gz	VNQWHGLJNVJJAS-UHFFFAOYSA-N	1	0	350.488	1.952	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Cc1csc(N2CCCC2=O)n1	ZINC000064361888	522709377	/nfs/dbraw/zinc/70/93/77/522709377.db2.gz	VGIGRFHKEQNAEU-UHFFFAOYSA-N	1	0	363.487	1.506	20	30		FDEDRO
C=CCc1cc(C(=O)NCCCN2CC[NH+](C)CC2)cc(OC)c1OC	ZINC000074394786	522771351	/nfs/dbraw/zinc/77/13/51/522771351.db2.gz	YOXMPHQQSPTVCL-UHFFFAOYSA-N	1	0	361.486	1.800	20	30		FDEDRO
O=C(NCC#Cc1ccccc1)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1	ZINC000049169712	522818214	/nfs/dbraw/zinc/81/82/14/522818214.db2.gz	PZQORBLMYCXLKC-OAQYLSRUSA-N	1	0	363.461	1.757	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CC1(N2CCSCC2)CCCC1	ZINC000075732968	522963394	/nfs/dbraw/zinc/96/33/94/522963394.db2.gz	GSFGLJLVIFVKKY-CQSZACIVSA-N	1	0	354.520	1.338	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1	ZINC000051051501	522964583	/nfs/dbraw/zinc/96/45/83/522964583.db2.gz	ZFRPBYWUUKNLAH-SOUVJXGZSA-N	1	0	352.479	1.404	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1	ZINC000076485887	523122024	/nfs/dbraw/zinc/12/20/24/523122024.db2.gz	LCVCARQQHVXVGS-MRXNPFEDSA-N	1	0	358.486	1.810	20	30		FDEDRO
CC[NH+]1CCC(CCNC(=O)C(=O)Nc2cccc(OCC#N)c2)CC1	ZINC000076505310	523127435	/nfs/dbraw/zinc/12/74/35/523127435.db2.gz	DCQWNQKWJZZKGR-UHFFFAOYSA-N	1	0	358.442	1.766	20	30		FDEDRO
CCCS(=O)(=O)NC1CC[NH+](CCOc2cccc(C#N)c2)CC1	ZINC000052643356	523223937	/nfs/dbraw/zinc/22/39/37/523223937.db2.gz	IEEWPZTUIAIXAF-UHFFFAOYSA-N	1	0	351.472	1.731	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)CC2)cc1	ZINC000076980873	523224597	/nfs/dbraw/zinc/22/45/97/523224597.db2.gz	WTGQHNWURMGZBZ-HXUWFJFHSA-N	1	0	367.497	1.870	20	30		FDEDRO
Cc1cccc(N2C[C@@H](C(=O)NC3(C#N)CC[NH+](C)CC3)CC2=O)c1C	ZINC000077037647	523239196	/nfs/dbraw/zinc/23/91/96/523239196.db2.gz	UVUTTZIUUWXMTQ-INIZCTEOSA-N	1	0	354.454	1.761	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)CC1	ZINC000066942040	523277239	/nfs/dbraw/zinc/27/72/39/523277239.db2.gz	CQPURVUPAZMUNC-FQEVSTJZSA-N	1	0	373.472	1.660	20	30		FDEDRO
C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000077542415	523379585	/nfs/dbraw/zinc/37/95/85/523379585.db2.gz	SCRCUMLOFGGALO-OAHLLOKOSA-N	1	0	362.405	1.205	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1	ZINC000067305213	523385038	/nfs/dbraw/zinc/38/50/38/523385038.db2.gz	SQHTTXJJCDGUTO-UHFFFAOYSA-N	1	0	356.386	1.556	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](C)C	ZINC000067328365	523392725	/nfs/dbraw/zinc/39/27/25/523392725.db2.gz	KTBSSJYDJUUDPW-HNNXBMFYSA-N	1	0	360.458	1.988	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)CC1	ZINC000077614226	523396922	/nfs/dbraw/zinc/39/69/22/523396922.db2.gz	UMOXNXZESJSNAI-MJGOQNOKSA-N	1	0	356.470	1.758	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000067352367	523401162	/nfs/dbraw/zinc/40/11/62/523401162.db2.gz	UYVMXEHRXKYXOL-GDBMZVCRSA-N	1	0	356.426	1.638	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)CCCC1	ZINC000077684910	523413487	/nfs/dbraw/zinc/41/34/87/523413487.db2.gz	AVOYSJGPADJUKI-UHFFFAOYSA-N	1	0	370.457	1.905	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(C#N)ccc2OCC)C1	ZINC000067393065	523421587	/nfs/dbraw/zinc/42/15/87/523421587.db2.gz	XQEPQKVJWWUCRB-HNNXBMFYSA-N	1	0	358.442	1.744	20	30		FDEDRO
Cn1cc(CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cn1	ZINC000054830785	523704062	/nfs/dbraw/zinc/70/40/62/523704062.db2.gz	NIXZQQQATXSYEJ-UHFFFAOYSA-N	1	0	351.454	1.959	20	30		FDEDRO
CCc1nc(CON=C(N)c2ccccc2C[NH+]2CCC(O)CC2)no1	ZINC000068776679	523855787	/nfs/dbraw/zinc/85/57/87/523855787.db2.gz	BYGDLFGABUBTFX-UHFFFAOYSA-N	1	0	359.430	1.426	20	30		FDEDRO
N#CCCCCS(=O)(=O)NCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000068878123	523872389	/nfs/dbraw/zinc/87/23/89/523872389.db2.gz	KFLBNIZBIMPMCM-UHFFFAOYSA-N	1	0	364.515	1.417	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2ccccc2C#N)C1	ZINC000080794839	523907344	/nfs/dbraw/zinc/90/73/44/523907344.db2.gz	RDWVMARZCUPSNQ-INIZCTEOSA-N	1	0	351.472	1.680	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1	ZINC000081301661	524091670	/nfs/dbraw/zinc/09/16/70/524091670.db2.gz	XZLPYAGNFWFHNI-GOSISDBHSA-N	1	0	354.454	1.483	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000156757150	524143135	/nfs/dbraw/zinc/14/31/35/524143135.db2.gz	UUQSBXWZLVUWJA-UHFFFAOYSA-N	1	0	365.499	1.111	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)c1	ZINC000172172444	524145624	/nfs/dbraw/zinc/14/56/24/524145624.db2.gz	VYCIVIRWEQHCLO-AWEZNQCLSA-N	1	0	351.472	1.175	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1	ZINC000081682062	524166752	/nfs/dbraw/zinc/16/67/52/524166752.db2.gz	ZVFNRPIFSCNEGI-RBUKOAKNSA-N	1	0	368.481	1.674	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000110992576	524181847	/nfs/dbraw/zinc/18/18/47/524181847.db2.gz	KQASMLIHTHMMFS-KRWDZBQOSA-N	1	0	352.442	1.930	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](S(=O)(=O)NC(C)C)C2)CC1	ZINC000136212677	524189304	/nfs/dbraw/zinc/18/93/04/524189304.db2.gz	GQEJACRVUGWZKW-INIZCTEOSA-N	1	0	372.535	1.139	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1	ZINC000172497229	524228402	/nfs/dbraw/zinc/22/84/02/524228402.db2.gz	OMHRIBHNDSEUJE-QGZVFWFLSA-N	1	0	372.469	1.889	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)Nc2cnn(CC[NH+]3CCCCC3)c2)c1	ZINC000121381775	524240317	/nfs/dbraw/zinc/24/03/17/524240317.db2.gz	CJQFSWMDAWTHQO-UHFFFAOYSA-N	1	0	365.437	1.928	20	30		FDEDRO
N#CCCCS(=O)(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000111330526	524262443	/nfs/dbraw/zinc/26/24/43/524262443.db2.gz	UDZRQFNWWVWHNY-UHFFFAOYSA-N	1	0	364.515	1.812	20	30		FDEDRO
Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000084586971	524317274	/nfs/dbraw/zinc/31/72/74/524317274.db2.gz	YVYIVAUZCAMOEN-UHFFFAOYSA-N	1	0	370.475	1.146	20	30		FDEDRO
CC[NH+]1CCN(CCNC(=O)CCCCOc2cccc(C#N)c2)CC1	ZINC000111660860	524321210	/nfs/dbraw/zinc/32/12/10/524321210.db2.gz	QUAWSYDHVIQFEJ-UHFFFAOYSA-N	1	0	358.486	1.861	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(CC(C)(C)C)nn2C)CC1	ZINC000173275419	524360948	/nfs/dbraw/zinc/36/09/48/524360948.db2.gz	RIJJSHIVJFZLBY-UHFFFAOYSA-N	1	0	361.490	1.714	20	30		FDEDRO
C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)Nc2ccn(CCC#N)n2)CC1	ZINC000173362985	524373956	/nfs/dbraw/zinc/37/39/56/524373956.db2.gz	PLVLPDQAMRNWEY-IRXDYDNUSA-N	1	0	373.505	1.819	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CC1	ZINC000112111646	524406396	/nfs/dbraw/zinc/40/63/96/524406396.db2.gz	RGANYCKAKJWXPP-CYBMUJFWSA-N	1	0	362.396	1.489	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1	ZINC000112219118	524430865	/nfs/dbraw/zinc/43/08/65/524430865.db2.gz	ZNEOABQQOLBIDP-INIZCTEOSA-N	1	0	356.426	1.068	20	30		FDEDRO
N#Cc1ccc(NCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1	ZINC000122037804	524437432	/nfs/dbraw/zinc/43/74/32/524437432.db2.gz	SXBLDQRXUYSNGH-RTBURBONSA-N	1	0	356.470	1.854	20	30		FDEDRO
CC[C@@H](CO)[NH+]1CCN(CC(=O)Nc2ccccc2SCC#N)CC1	ZINC000173746461	524450983	/nfs/dbraw/zinc/45/09/83/524450983.db2.gz	ZFOVUGZKZBXWLV-HNNXBMFYSA-N	1	0	362.499	1.629	20	30		FDEDRO
CN1CCc2ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc21	ZINC000122139419	524459794	/nfs/dbraw/zinc/45/97/94/524459794.db2.gz	HTAQBDSQTVLXHL-UHFFFAOYSA-N	1	0	357.458	1.311	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)ccc1F	ZINC000158397947	524460206	/nfs/dbraw/zinc/46/02/06/524460206.db2.gz	QBSKXUUODXUTBQ-QGZVFWFLSA-N	1	0	367.446	1.116	20	30		FDEDRO
C[C@H]1C[NH+](CCCCNC(=O)C#Cc2ccc3c(c2)OCO3)C[C@H](C)O1	ZINC000122242782	524487544	/nfs/dbraw/zinc/48/75/44/524487544.db2.gz	BOHFXGVLZYHHFT-HOTGVXAUSA-N	1	0	358.438	1.772	20	30		FDEDRO
N#CCSCCC[NH+]1CCN(Cc2cc(=O)n3ccsc3n2)CC1	ZINC000174112865	524516003	/nfs/dbraw/zinc/51/60/03/524516003.db2.gz	IYKCICAAWVAIDW-UHFFFAOYSA-N	1	0	363.512	1.520	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c1C#N	ZINC000089663769	524518007	/nfs/dbraw/zinc/51/80/07/524518007.db2.gz	QERQGADHGCWUQW-GFCCVEGCSA-N	1	0	370.413	1.014	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)N2CCc3ccccc3C2)c1C#N	ZINC000089662305	524518509	/nfs/dbraw/zinc/51/85/09/524518509.db2.gz	LXPZQIAYYIYDPL-AWEZNQCLSA-N	1	0	366.469	1.819	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CNC(=O)CCC2CCCC2)c1C#N	ZINC000089676151	524519610	/nfs/dbraw/zinc/51/96/10/524519610.db2.gz	OYUWZXWHSQGLGB-UHFFFAOYSA-N	1	0	360.462	1.458	20	30		FDEDRO
C[NH+]=C(NCCNC(=O)c1cccnc1)N1CCN(c2cccs2)CC1	ZINC000158895015	524547756	/nfs/dbraw/zinc/54/77/56/524547756.db2.gz	NYTCHNIEILJROW-UHFFFAOYSA-N	1	0	372.498	1.271	20	30		FDEDRO
Cc1cccc(C)c1OC[C@H](O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000089943304	524556349	/nfs/dbraw/zinc/55/63/49/524556349.db2.gz	GJHWHDTWFLAUHC-OAHLLOKOSA-N	1	0	357.458	1.785	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1nc2c(s1)CCC2	ZINC000089942932	524556881	/nfs/dbraw/zinc/55/68/81/524556881.db2.gz	HSGGZAPKNUSCJU-UHFFFAOYSA-N	1	0	359.459	1.312	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(S(N)(=O)=O)o1)C(C)C	ZINC000112919823	524595401	/nfs/dbraw/zinc/59/54/01/524595401.db2.gz	KLOMQDRSDTVXAG-ZDUSSCGKSA-N	1	0	355.460	1.355	20	30		FDEDRO
COCc1nc2n(n1)C[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)CC2	ZINC000151530134	524603411	/nfs/dbraw/zinc/60/34/11/524603411.db2.gz	MIVBAHIYRKNFSS-INIZCTEOSA-N	1	0	354.458	1.879	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)CCCC(=O)Nc1ccccc1C#N	ZINC000151534491	524606420	/nfs/dbraw/zinc/60/64/20/524606420.db2.gz	DAYVSHZXFKPMPT-KRWDZBQOSA-N	1	0	372.469	1.894	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C[C@@H](C)O)C2CCCCC2)CC1	ZINC000091556469	524725029	/nfs/dbraw/zinc/72/50/29/524725029.db2.gz	DLEJYPLMZHYGSV-MJGOQNOKSA-N	1	0	364.534	1.694	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N(C)CCCN1CC[NH+](C)CC1	ZINC000123477771	524757654	/nfs/dbraw/zinc/75/76/54/524757654.db2.gz	AKWQCTSCQBXYRB-UHFFFAOYSA-N	1	0	350.488	1.125	20	30		FDEDRO
C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000152155127	524797019	/nfs/dbraw/zinc/79/70/19/524797019.db2.gz	NSDHVWPTDSJRBO-WXOYBGPJSA-N	1	0	354.454	1.623	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(Cc3ccccn3)CC2)CC1	ZINC000160084673	524805530	/nfs/dbraw/zinc/80/55/30/524805530.db2.gz	NNLRYTVYWFSXGJ-UHFFFAOYSA-N	1	0	357.502	1.949	20	30		FDEDRO
COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc(C#N)[nH]3)CC2)cc1	ZINC000152318097	524844751	/nfs/dbraw/zinc/84/47/51/524844751.db2.gz	NFAAEPWBCLPMKB-UHFFFAOYSA-N	1	0	367.453	1.837	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2c(F)cc(C#N)cc2F)CC1	ZINC000152400911	524874877	/nfs/dbraw/zinc/87/48/77/524874877.db2.gz	MGVIZYJWOOUQFC-OAHLLOKOSA-N	1	0	362.380	1.215	20	30		FDEDRO
N#Cc1cnc(NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cn1	ZINC000124209219	524929277	/nfs/dbraw/zinc/92/92/77/524929277.db2.gz	IMICBFPTXLOBJY-MRXNPFEDSA-N	1	0	350.426	1.658	20	30		FDEDRO
C[C@@H]1C[NH+](CCC2CCN(S(=O)(=O)CCCC#N)CC2)C[C@@H](C)O1	ZINC000175664900	524990020	/nfs/dbraw/zinc/99/00/20/524990020.db2.gz	CDIUAJRVSWQIAY-HZPDHXFCSA-N	1	0	357.520	1.831	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)C[C@H]1CCC[N@H+](C)C1	ZINC000115434710	524993092	/nfs/dbraw/zinc/99/30/92/524993092.db2.gz	SYRPNINRUMHRRG-INIZCTEOSA-N	1	0	368.485	1.951	20	30		FDEDRO
CN(CCC#N)c1ccc(CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1	ZINC000093821273	525003811	/nfs/dbraw/zinc/00/38/11/525003811.db2.gz	NFRZKIBFUBKTKK-FQEVSTJZSA-N	1	0	369.513	1.775	20	30		FDEDRO
C[N@H+](CCCO)C1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000115545930	525014681	/nfs/dbraw/zinc/01/46/81/525014681.db2.gz	LDYRFONCJBAWGN-LJQANCHMSA-N	1	0	356.470	1.442	20	30		FDEDRO
COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)CC2	ZINC000124748245	525067375	/nfs/dbraw/zinc/06/73/75/525067375.db2.gz	BXGCIQBPTJXDME-KBPBESRZSA-N	1	0	360.462	1.060	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(C#N)c2)[C@H](C)C1	ZINC000115891086	525085465	/nfs/dbraw/zinc/08/54/65/525085465.db2.gz	HOIIGYQAYKWGBO-QAPCUYQASA-N	1	0	372.469	1.750	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC2CCC(S(C)(=O)=O)CC2)CC1	ZINC000176497697	525128788	/nfs/dbraw/zinc/12/87/88/525128788.db2.gz	RUSIBFZKGURMCB-UHFFFAOYSA-N	1	0	357.520	1.682	20	30		FDEDRO
C=CCN1CCC(NS(=O)(=O)c2cc(F)c(F)c(C(=O)OC)c2)CC1	ZINC000176599346	525149110	/nfs/dbraw/zinc/14/91/10/525149110.db2.gz	KTXABQPXORZTBD-UHFFFAOYSA-N	1	0	374.409	1.680	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)NCCCC[N@H+]2CCC[C@@H]2CO)ccc1F	ZINC000161746372	525162962	/nfs/dbraw/zinc/16/29/62/525162962.db2.gz	ZSSOBKUBAABEMF-CQSZACIVSA-N	1	0	355.435	1.213	20	30		FDEDRO
C[C@@H](NC(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N)c1ccccc1	ZINC000153273481	525165516	/nfs/dbraw/zinc/16/55/16/525165516.db2.gz	JWJJQNDHSSVRGR-ZIAGYGMSSA-N	1	0	354.458	1.994	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H](Cc2ccccc2OC)C(=O)OC)CC1	ZINC000161783397	525167234	/nfs/dbraw/zinc/16/72/34/525167234.db2.gz	BINJGLYBONSCBQ-SFHVURJKSA-N	1	0	372.465	1.488	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1ccnn1C1CCCC1	ZINC000153292363	525171015	/nfs/dbraw/zinc/17/10/15/525171015.db2.gz	WXRXBDYIVMMYEI-UHFFFAOYSA-N	1	0	370.461	1.678	20	30		FDEDRO
CCN(Cc1cccc(F)c1)C(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153298844	525172034	/nfs/dbraw/zinc/17/20/34/525172034.db2.gz	UXDASVSXDJFKLT-UHFFFAOYSA-N	1	0	372.448	1.916	20	30		FDEDRO
N#CC1(c2ccccc2)CC([NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)C1	ZINC000126003086	525263491	/nfs/dbraw/zinc/26/34/91/525263491.db2.gz	ORLGYVSZJISJGL-UHFFFAOYSA-N	1	0	362.433	1.615	20	30		FDEDRO
CC[NH+]=C(NC[C@H](C)c1c(C)noc1C)N1CCN(c2ncccn2)CC1	ZINC000162483147	525267115	/nfs/dbraw/zinc/26/71/15/525267115.db2.gz	WMMPPEPCXDOFRP-AWEZNQCLSA-N	1	0	371.489	1.973	20	30		FDEDRO
CC[NH+]=C(NC[C@H]1CCOc2ccccc21)N[C@@H]1CCc2ncnn2C1	ZINC000126043817	525267922	/nfs/dbraw/zinc/26/79/22/525267922.db2.gz	QBAYNEBJKQMLOU-HUUCEWRRSA-N	1	0	354.458	1.714	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1	ZINC000126241443	525288716	/nfs/dbraw/zinc/28/87/16/525288716.db2.gz	RYZXOFSTPWGOKW-PBHICJAKSA-N	1	0	363.483	1.010	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1	ZINC000177578638	525313765	/nfs/dbraw/zinc/31/37/65/525313765.db2.gz	GPNQDCUVHPMAQB-HOTGVXAUSA-N	1	0	365.499	1.754	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccccc1C#N)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000162808067	525320864	/nfs/dbraw/zinc/32/08/64/525320864.db2.gz	KDJMVVZWHBDUKK-YJBOKZPZSA-N	1	0	369.469	1.124	20	30		FDEDRO
C[NH+](C)CCCC1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1	ZINC000153798333	525327088	/nfs/dbraw/zinc/32/70/88/525327088.db2.gz	CTRMXNZMQQFRHM-UHFFFAOYSA-N	1	0	356.470	1.868	20	30		FDEDRO
O=C(C#Cc1ccc2c(c1)OCO2)N1CCN(CC[NH+]2CCCC2)CC1	ZINC000126862070	525358594	/nfs/dbraw/zinc/35/85/94/525358594.db2.gz	ZZVWNUZIHBDXEE-UHFFFAOYSA-N	1	0	355.438	1.007	20	30		FDEDRO
C=C(C)CNC(=O)C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000126878139	525361625	/nfs/dbraw/zinc/36/16/25/525361625.db2.gz	IHLWQXJKINWALK-KRWDZBQOSA-N	1	0	367.453	1.961	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1	ZINC000178045815	525375076	/nfs/dbraw/zinc/37/50/76/525375076.db2.gz	UZUYQUQFQNEFQE-IAGOWNOFSA-N	1	0	356.470	1.889	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(S(N)(=O)=O)cc1)N1CCc2ccccc21	ZINC000103903183	525380566	/nfs/dbraw/zinc/38/05/66/525380566.db2.gz	RXDASVQIUSLZEU-UHFFFAOYSA-N	1	0	358.467	1.862	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1	ZINC000154019717	525394442	/nfs/dbraw/zinc/39/44/42/525394442.db2.gz	PRIRLIIIPYAGMA-RTBURBONSA-N	1	0	350.551	1.901	20	30		FDEDRO
CCc1ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cc1S(C)(=O)=O	ZINC000127328225	525410001	/nfs/dbraw/zinc/41/00/01/525410001.db2.gz	FDRGHPQIOXYVSL-UHFFFAOYSA-N	1	0	365.499	1.960	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1	ZINC000154092136	525422020	/nfs/dbraw/zinc/42/20/20/525422020.db2.gz	LDTBKOBMLTUNCG-QGZVFWFLSA-N	1	0	358.486	1.963	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1	ZINC000127607775	525442473	/nfs/dbraw/zinc/44/24/73/525442473.db2.gz	CJCDPZTYIXUEFG-HOCLYGCPSA-N	1	0	365.499	1.706	20	30		FDEDRO
CN1CCN(C(=O)CCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CC1	ZINC000178574050	525447009	/nfs/dbraw/zinc/44/70/09/525447009.db2.gz	KAFYOWLIWQFEMD-UHFFFAOYSA-N	1	0	373.379	1.476	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000118103437	525447556	/nfs/dbraw/zinc/44/75/56/525447556.db2.gz	SDZHKTLYKSNILS-LLVKDONJSA-N	1	0	352.341	1.309	20	30		FDEDRO
C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)C1	ZINC000164184334	525482452	/nfs/dbraw/zinc/48/24/52/525482452.db2.gz	JBKWRNNRHTXWDB-CYBMUJFWSA-N	1	0	369.450	1.688	20	30		FDEDRO
C[NH+](C)C[C@](C)(O)CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000178943594	525508093	/nfs/dbraw/zinc/50/80/93/525508093.db2.gz	FQZADJODCKMWQW-MRXNPFEDSA-N	1	0	357.376	1.669	20	30		FDEDRO
CN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C[C@@H]1CCC[N@H+](C)C1	ZINC000118843772	525560645	/nfs/dbraw/zinc/56/06/45/525560645.db2.gz	PBVGNNQIZKQGCL-MRXNPFEDSA-N	1	0	366.469	1.956	20	30		FDEDRO
CCC[C@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2C)CCN1CCOC	ZINC000179391548	525574349	/nfs/dbraw/zinc/57/43/49/525574349.db2.gz	XPNQVGYVQXOSHU-KRWDZBQOSA-N	1	0	372.469	1.765	20	30		FDEDRO
N#Cc1cccnc1N1CCC[N@@H+](C[C@H](O)COC2CCOCC2)CC1	ZINC000154579096	525578797	/nfs/dbraw/zinc/57/87/97/525578797.db2.gz	LPSAEWFDPRUJTJ-KRWDZBQOSA-N	1	0	360.458	1.022	20	30		FDEDRO
C=CCC[C@@H](O)C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1	ZINC000128816514	525582932	/nfs/dbraw/zinc/58/29/32/525582932.db2.gz	MMSNPMIQQNXLAI-CYBMUJFWSA-N	1	0	358.426	1.602	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(NC(=O)c3ccoc3)CC2)cc1	ZINC000166504662	525583989	/nfs/dbraw/zinc/58/39/89/525583989.db2.gz	GKOGMXIPCSHUQR-SFHVURJKSA-N	1	0	369.421	1.785	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000167922970	525613086	/nfs/dbraw/zinc/61/30/86/525613086.db2.gz	IHHIZFDIYSGYKI-CABCVRRESA-N	1	0	374.869	1.904	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CC1	ZINC000129148433	525621440	/nfs/dbraw/zinc/62/14/40/525621440.db2.gz	MKBBUIDHPFWAJK-MRXNPFEDSA-N	1	0	353.422	1.176	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2cc(C)ccc2S(N)(=O)=O)CC1	ZINC000129667232	525678860	/nfs/dbraw/zinc/67/88/60/525678860.db2.gz	SHDDXTXEEJXUDN-UHFFFAOYSA-N	1	0	351.472	1.413	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C(=O)NCCC)CC2)CC1	ZINC000106275945	525686715	/nfs/dbraw/zinc/68/67/15/525686715.db2.gz	YIJSPESJSNTKIL-UHFFFAOYSA-N	1	0	350.507	1.975	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(OCC(=O)NC)cc2)CC1	ZINC000106326298	525692241	/nfs/dbraw/zinc/69/22/41/525692241.db2.gz	QBHDJHZHLSPNEX-UHFFFAOYSA-N	1	0	360.458	1.973	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1	ZINC000180350919	525694771	/nfs/dbraw/zinc/69/47/71/525694771.db2.gz	YRTMUMAVGICTIC-UHFFFAOYSA-N	1	0	361.417	1.765	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)CN(C)C3)CC1	ZINC000106349008	525699391	/nfs/dbraw/zinc/69/93/91/525699391.db2.gz	PFIVFPUCCYNFBN-UHFFFAOYSA-N	1	0	356.470	1.727	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cccn2C)CC1	ZINC000180738554	525747170	/nfs/dbraw/zinc/74/71/70/525747170.db2.gz	MKTRKJQHECWQAY-MOPGFXCFSA-N	1	0	357.502	1.854	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)CC1	ZINC000170896198	525760903	/nfs/dbraw/zinc/76/09/03/525760903.db2.gz	QKHOLLYLHNPPRS-KRWDZBQOSA-N	1	0	354.372	1.898	20	30		FDEDRO
CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)cc1	ZINC000181042418	525795796	/nfs/dbraw/zinc/79/57/96/525795796.db2.gz	YVCRQAGMIHFPRE-CHWSQXEVSA-N	1	0	352.460	1.006	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1	ZINC000181153264	525812841	/nfs/dbraw/zinc/81/28/41/525812841.db2.gz	VPKHHVZILKHEFG-UHFFFAOYSA-N	1	0	360.458	1.215	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1	ZINC000181173188	525814710	/nfs/dbraw/zinc/81/47/10/525814710.db2.gz	MMTDSNRHMFAEAQ-RTBURBONSA-N	1	0	370.497	1.985	20	30		FDEDRO
C[C@H]1C[C@@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)CN1Cc1ccccc1	ZINC000119708656	525833938	/nfs/dbraw/zinc/83/39/38/525833938.db2.gz	HJJNGFXXFJYVAW-LPYRORPOSA-N	1	0	354.454	1.765	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1	ZINC000119714430	525836211	/nfs/dbraw/zinc/83/62/11/525836211.db2.gz	MDZVSXICTHKMJG-UHFFFAOYSA-N	1	0	351.472	1.167	20	30		FDEDRO
N#Cc1cccc(NC(=O)CC[NH+]2CCC(N3CCC[C@H]3C(N)=O)CC2)c1	ZINC000131219354	525837163	/nfs/dbraw/zinc/83/71/63/525837163.db2.gz	SHKXHVXHGXJWMG-SFHVURJKSA-N	1	0	369.469	1.301	20	30		FDEDRO
CC[N@H+](CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(C)C	ZINC000131452403	525859627	/nfs/dbraw/zinc/85/96/27/525859627.db2.gz	CEXFJPJSCPFGIC-CQSZACIVSA-N	1	0	366.487	1.072	20	30		FDEDRO
CC[N@H+](CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(C)C	ZINC000131459834	525861582	/nfs/dbraw/zinc/86/15/82/525861582.db2.gz	AKHLFLXDEHRQDP-AWEZNQCLSA-N	1	0	366.487	1.072	20	30		FDEDRO
COCCN1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1=O	ZINC000181577186	525876760	/nfs/dbraw/zinc/87/67/60/525876760.db2.gz	KJCRJCUTLIJXDA-UHFFFAOYSA-N	1	0	367.453	1.754	20	30		FDEDRO
CC[N@H+](CCNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)C1CC1	ZINC000119819860	525877117	/nfs/dbraw/zinc/87/71/17/525877117.db2.gz	LOEWIKPCKLXIAM-AWEZNQCLSA-N	1	0	357.462	1.053	20	30		FDEDRO
CC[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1cccc(S(N)(=O)=O)c1	ZINC000181741748	525914262	/nfs/dbraw/zinc/91/42/62/525914262.db2.gz	SMVAJFYBIIUJBK-ZWKOTPCHSA-N	1	0	359.451	1.980	20	30		FDEDRO
C=CCCS(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1	ZINC000119967038	525922255	/nfs/dbraw/zinc/92/22/55/525922255.db2.gz	TTWPFVZYLMVRKN-UHFFFAOYSA-N	1	0	371.547	1.597	20	30		FDEDRO
C[C@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1	ZINC000132166547	525943030	/nfs/dbraw/zinc/94/30/30/525943030.db2.gz	FCGNYKNYWLSJIS-OAHLLOKOSA-N	1	0	374.510	1.977	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1	ZINC000181868356	525962647	/nfs/dbraw/zinc/96/26/47/525962647.db2.gz	HAGOPKBWMFZUNN-JKSUJKDBSA-N	1	0	370.453	1.860	20	30		FDEDRO
C[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1cccc(C#N)c1	ZINC000181948582	525994200	/nfs/dbraw/zinc/99/42/00/525994200.db2.gz	DUYGSHOWKJNNHX-YOEHRIQHSA-N	1	0	351.472	1.697	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCCN(c3ncccn3)C2)CC1	ZINC000171556065	526033578	/nfs/dbraw/zinc/03/35/78/526033578.db2.gz	ZCULZLOXHGKFCL-KRWDZBQOSA-N	1	0	358.490	1.785	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCCNC(=O)c2cccs2)CC1	ZINC000171555580	526034050	/nfs/dbraw/zinc/03/40/50/526034050.db2.gz	SDSALOLIPIDQFU-UHFFFAOYSA-N	1	0	350.488	1.818	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CCc2ccc3c(c2)OCCO3)c1C#N	ZINC000133212275	526035153	/nfs/dbraw/zinc/03/51/53/526035153.db2.gz	SUMGYHNEWVGDBO-UHFFFAOYSA-N	1	0	369.425	1.776	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)N2CCN(C)CC2)CC1	ZINC000171565899	526039014	/nfs/dbraw/zinc/03/90/14/526039014.db2.gz	BUKDPKCCGOHIFC-HXUWFJFHSA-N	1	0	356.514	1.742	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000171706388	526087272	/nfs/dbraw/zinc/08/72/72/526087272.db2.gz	XJEDOJYCHIKDTC-IYBDPMFKSA-N	1	0	352.523	1.824	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Cn2cc(Br)ccc2=O)CC1	ZINC000171721483	526093271	/nfs/dbraw/zinc/09/32/71/526093271.db2.gz	OSPZHEHLYSXNIK-UHFFFAOYSA-N	1	0	354.248	1.377	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)CC1	ZINC000171722128	526094431	/nfs/dbraw/zinc/09/44/31/526094431.db2.gz	CPBCTOQWWWWPDE-FQEVSTJZSA-N	1	0	370.453	1.220	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)CC1	ZINC000171726312	526097168	/nfs/dbraw/zinc/09/71/68/526097168.db2.gz	MXOZERSIVWDLGS-UHFFFAOYSA-N	1	0	370.453	1.519	20	30		FDEDRO
C[C@@H]1CN(C(C)(C)CNS(=O)(=O)c2ccc(F)cc2C#N)C[C@H](C)O1	ZINC000156299979	526101900	/nfs/dbraw/zinc/10/19/00/526101900.db2.gz	QWIUJGJIWZOZJN-BETUJISGSA-N	1	0	369.462	1.863	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000156500154	526150720	/nfs/dbraw/zinc/15/07/20/526150720.db2.gz	FGBIAQOMCCGGCK-LBPRGKRZSA-N	1	0	352.416	1.619	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1	ZINC000109753053	526173582	/nfs/dbraw/zinc/17/35/82/526173582.db2.gz	ODMBFFKSIFWYKK-YLJYHZDGSA-N	1	0	369.513	1.987	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@H](N4CCOCC4)C3)C2=O)cc1	ZINC000182811700	535867585	/nfs/dbraw/zinc/86/75/85/535867585.db2.gz	SYDBIPGUECCQSD-OALUTQOASA-N	1	0	354.454	1.460	20	30		FDEDRO
CC1(O)CC[NH+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1	ZINC000182854959	535875590	/nfs/dbraw/zinc/87/55/90/535875590.db2.gz	OCAZOWHDYFYWHI-SFHVURJKSA-N	1	0	374.460	1.381	20	30		FDEDRO
C=CC[C@@H](CO)NC(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000183041451	535908745	/nfs/dbraw/zinc/90/87/45/535908745.db2.gz	MMAIDEHRTWNWER-IBGZPJMESA-N	1	0	360.502	1.560	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC[C@]3(CCOC3)C2)CC1	ZINC000183186327	535938421	/nfs/dbraw/zinc/93/84/21/535938421.db2.gz	IZXQNGZPBLNDTO-APWZRJJASA-N	1	0	374.510	1.569	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1	ZINC000183189159	535939739	/nfs/dbraw/zinc/93/97/39/535939739.db2.gz	RMQHFCKRRLZMLA-MRXNPFEDSA-N	1	0	374.485	1.209	20	30		FDEDRO
Cn1nnc2cc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)cnc21	ZINC000183561742	536003639	/nfs/dbraw/zinc/00/36/39/536003639.db2.gz	GRBSZQALMOWAIW-UHFFFAOYSA-N	1	0	363.425	1.439	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(n2cc(C(=O)OC)nn2)CC1	ZINC000183728382	536037542	/nfs/dbraw/zinc/03/75/42/536037542.db2.gz	RYBQNERVTMCIFR-CQSZACIVSA-N	1	0	361.446	1.291	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)CC1	ZINC000183865769	536059174	/nfs/dbraw/zinc/05/91/74/536059174.db2.gz	PJQBNFYHQSRFGT-UHFFFAOYSA-N	1	0	361.467	1.292	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1	ZINC000185093603	536198213	/nfs/dbraw/zinc/19/82/13/536198213.db2.gz	LKVNFAOEUFUGIF-MRXNPFEDSA-N	1	0	357.454	1.731	20	30		FDEDRO
C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1cccc(Cl)c1C#N	ZINC000185347707	536206267	/nfs/dbraw/zinc/20/62/67/536206267.db2.gz	UDCQKMLOJUNJFZ-CYBMUJFWSA-N	1	0	370.906	1.516	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCCC2)n1	ZINC000186650424	536240125	/nfs/dbraw/zinc/24/01/25/536240125.db2.gz	XBADFXKJHSMSRG-CQSZACIVSA-N	1	0	360.462	1.655	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)C2(c3ccc(C#N)cc3)CC2)CC1	ZINC000186918212	536248669	/nfs/dbraw/zinc/24/86/69/536248669.db2.gz	OFDDMODZIBQRDF-QGZVFWFLSA-N	1	0	354.498	1.980	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccc(C(C)(C)O)cc2)CC1	ZINC000187042293	536253390	/nfs/dbraw/zinc/25/33/90/536253390.db2.gz	LQWNGYZUWWHIDD-UHFFFAOYSA-N	1	0	362.474	1.939	20	30		FDEDRO
C[C@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[N@@H+]1CCO	ZINC000187697047	536271890	/nfs/dbraw/zinc/27/18/90/536271890.db2.gz	UCTYUGSOEIUQNX-ZDUSSCGKSA-N	1	0	362.499	1.435	20	30		FDEDRO
C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1	ZINC000187796478	536274747	/nfs/dbraw/zinc/27/47/47/536274747.db2.gz	UBXALLSEFYDORI-HOTGVXAUSA-N	1	0	356.470	1.894	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NC1CC[NH+](CC(=C)C)CC1	ZINC000187960896	536279036	/nfs/dbraw/zinc/27/90/36/536279036.db2.gz	OTOUMJYKJMDQME-UHFFFAOYSA-N	1	0	355.438	1.794	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N[C@@H]1CCOc2ccccc21	ZINC000262792884	536902214	/nfs/dbraw/zinc/90/22/14/536902214.db2.gz	ORUULBRYVBXEQQ-GDBMZVCRSA-N	1	0	354.458	1.838	20	30		FDEDRO
C[NH+]=C(NCc1coc(-c2ccccc2)n1)N[C@H]1CCc2nc(C)nn2C1	ZINC000262816094	536908959	/nfs/dbraw/zinc/90/89/59/536908959.db2.gz	VQEHGFIKBUMUEW-HNNXBMFYSA-N	1	0	365.441	1.922	20	30		FDEDRO
C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000262817736	536910000	/nfs/dbraw/zinc/91/00/00/536910000.db2.gz	ZVPWFKHHCPVZON-RNCFNFMXSA-N	1	0	358.261	1.597	20	30		FDEDRO
COC(=O)CCc1nc(CON=C(N)c2ccc(C[NH+](C)C)cc2)no1	ZINC000266996016	536946123	/nfs/dbraw/zinc/94/61/23/536946123.db2.gz	DYQRRPUTSXDZHE-UHFFFAOYSA-N	1	0	361.402	1.074	20	30		FDEDRO
C[NH+]=C(NCC(=O)N1CCc2ccccc2C1)NCc1nc(C)cs1	ZINC000263232945	536997634	/nfs/dbraw/zinc/99/76/34/536997634.db2.gz	IOJMJQGEPPTFMI-UHFFFAOYSA-N	1	0	357.483	1.701	20	30		FDEDRO
[NH2+]=C(NCCN1CCOCC1)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000263248066	537000742	/nfs/dbraw/zinc/00/07/42/537000742.db2.gz	NOTLEKZKGBOXEE-UHFFFAOYSA-N	1	0	351.882	1.109	20	30		FDEDRO
O=C(C#Cc1ccc2c(c1)OCO2)N1CCC(OCC[NH+]2CCCC2)CC1	ZINC000268555269	537015032	/nfs/dbraw/zinc/01/50/32/537015032.db2.gz	XACGOTUDFOODTE-UHFFFAOYSA-N	1	0	370.449	1.870	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(=O)OC)c(F)c2)CC1	ZINC000268544345	537015400	/nfs/dbraw/zinc/01/54/00/537015400.db2.gz	AVQLEEIYSVXWRA-UHFFFAOYSA-N	1	0	363.389	1.317	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)CC1=O	ZINC000246957344	537058602	/nfs/dbraw/zinc/05/86/02/537058602.db2.gz	JONOVRVELKEZKI-WOCWXWTJSA-N	1	0	360.502	1.908	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1	ZINC000247114346	537083381	/nfs/dbraw/zinc/08/33/81/537083381.db2.gz	VYAWHZKDXWJIHL-KGLIPLIRSA-N	1	0	352.479	1.261	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NC[C@H](c1cccc(Cl)c1)N1CCOCC1	ZINC000264296045	537140474	/nfs/dbraw/zinc/14/04/74/537140474.db2.gz	QSUJBIRDIFFBMA-XJKSGUPXSA-N	1	0	354.882	1.653	20	30		FDEDRO
CC[C@@H]1CN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC[N@@H+]1C[C@@H](C)O	ZINC000247767958	537148420	/nfs/dbraw/zinc/14/84/20/537148420.db2.gz	OJDQYJFWPJBDSG-XNRPHZJLSA-N	1	0	362.474	1.872	20	30		FDEDRO
CC#CCNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1	ZINC000190533246	537177536	/nfs/dbraw/zinc/17/75/36/537177536.db2.gz	FAMWNVLXXZKRGS-UHFFFAOYSA-N	1	0	370.453	1.579	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCO1	ZINC000190840930	537188662	/nfs/dbraw/zinc/18/86/62/537188662.db2.gz	KHWWDWQGAKUSPJ-QZTJIDSGSA-N	1	0	358.442	1.211	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1F	ZINC000248578966	537193925	/nfs/dbraw/zinc/19/39/25/537193925.db2.gz	FBTSJKWSTOELMK-KCQAQPDRSA-N	1	0	367.446	1.099	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1	ZINC000248626562	537198347	/nfs/dbraw/zinc/19/83/47/537198347.db2.gz	FWVKFSNWZMVGJT-ZIAGYGMSSA-N	1	0	351.472	1.966	20	30		FDEDRO
N#Cc1ccc(C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc1O	ZINC000249039768	537225707	/nfs/dbraw/zinc/22/57/07/537225707.db2.gz	CYJOGRWAWZUPGV-ROUUACIJSA-N	1	0	351.406	1.629	20	30		FDEDRO
C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000193648426	537253534	/nfs/dbraw/zinc/25/35/34/537253534.db2.gz	NVTCHBGXTAQTEY-WBMJQRKESA-N	1	0	367.371	1.287	20	30		FDEDRO
N#CCOc1ccc(CC(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)cc1	ZINC000363638902	537265758	/nfs/dbraw/zinc/26/57/58/537265758.db2.gz	UXFDJNZRLOHJCM-MJGOQNOKSA-N	1	0	357.454	1.749	20	30		FDEDRO
[NH2+]=C(NCCNC(=O)c1ccn[nH]1)NCc1cccc(C(F)(F)F)c1	ZINC000272361393	537272032	/nfs/dbraw/zinc/27/20/32/537272032.db2.gz	FIVRXZXTVFVJGZ-UHFFFAOYSA-N	1	0	354.336	1.263	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCC(=O)NC1CC1	ZINC000298689690	537273023	/nfs/dbraw/zinc/27/30/23/537273023.db2.gz	SFAMCRHSUSAQNE-UHFFFAOYSA-N	1	0	371.485	1.690	20	30		FDEDRO
CCN(CCCNC(=O)C(=O)Nc1ccc(C#N)cn1)c1ccccc1	ZINC000293009068	537287130	/nfs/dbraw/zinc/28/71/30/537287130.db2.gz	KGXCLYMXCHSPEH-UHFFFAOYSA-N	1	0	351.410	1.925	20	30		FDEDRO
CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)c1ccco1	ZINC000293017099	537293768	/nfs/dbraw/zinc/29/37/68/537293768.db2.gz	HREYWKADTSPJAZ-AWEZNQCLSA-N	1	0	355.398	1.684	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000272547871	537296938	/nfs/dbraw/zinc/29/69/38/537296938.db2.gz	MXEMVCFRVIQHNM-YCPHGPKFSA-N	1	0	356.426	1.659	20	30		FDEDRO
COC(=O)CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)CC(OC)OC	ZINC000272770938	537333809	/nfs/dbraw/zinc/33/38/09/537333809.db2.gz	UFEAMYRFUMYVJX-UHFFFAOYSA-N	1	0	363.414	1.371	20	30		FDEDRO
C#CCN(CC#C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C	ZINC000290360617	537334178	/nfs/dbraw/zinc/33/41/78/537334178.db2.gz	JRJUNMYRXPPDNX-UHFFFAOYSA-N	1	0	362.481	1.253	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C	ZINC000282837819	537340433	/nfs/dbraw/zinc/34/04/33/537340433.db2.gz	MXGHCWXHDZPBKA-KRWDZBQOSA-N	1	0	368.503	1.294	20	30		FDEDRO
N#C[C@@H](CCc1ccccc1)C(=O)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1	ZINC000333768622	537351278	/nfs/dbraw/zinc/35/12/78/537351278.db2.gz	QXIQPGJYHVCFTL-MOPGFXCFSA-N	1	0	368.481	1.572	20	30		FDEDRO
C#CCN(C(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1)C1CC1	ZINC000276249540	537363505	/nfs/dbraw/zinc/36/35/05/537363505.db2.gz	QZTBLDCRRGFCTF-UHFFFAOYSA-N	1	0	354.454	1.391	20	30		FDEDRO
C[C@@H](C#N)CN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C	ZINC000283383815	537373860	/nfs/dbraw/zinc/37/38/60/537373860.db2.gz	DFZMVVWJLDDBOJ-KRWDZBQOSA-N	1	0	367.501	1.776	20	30		FDEDRO
CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000363966424	537380039	/nfs/dbraw/zinc/38/00/39/537380039.db2.gz	QVHMFKPOQQLIEW-QAPCUYQASA-N	1	0	356.470	1.896	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000273033730	537385120	/nfs/dbraw/zinc/38/51/20/537385120.db2.gz	FBRLJANYHNEFMD-KRWDZBQOSA-N	1	0	356.470	1.171	20	30		FDEDRO
CC(C)(C#N)C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000364066379	537389527	/nfs/dbraw/zinc/38/95/27/537389527.db2.gz	XJTIWWVGYZAVKE-QGZVFWFLSA-N	1	0	355.486	1.992	20	30		FDEDRO
C[N@H+](CC(=O)N(CCC#N)CCC#N)C1CCN(c2ncccn2)CC1	ZINC000364388963	537391838	/nfs/dbraw/zinc/39/18/38/537391838.db2.gz	SMAZKUVJZMUZGL-UHFFFAOYSA-N	1	0	355.446	1.033	20	30		FDEDRO
CN1CC[NH+](C2(CNC(=O)C3(C#N)CCOCC3)CCCCCC2)CC1	ZINC000364778038	537396059	/nfs/dbraw/zinc/39/60/59/537396059.db2.gz	ICSYRBQAMLMIKM-UHFFFAOYSA-N	1	0	362.518	1.763	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)NCCc1ccncc1)C(C)C	ZINC000283959323	537397911	/nfs/dbraw/zinc/39/79/11/537397911.db2.gz	FUWBSGAXXINJRS-SFHVURJKSA-N	1	0	358.486	1.555	20	30		FDEDRO
CN(C)S(=O)(=O)CCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1	ZINC000290734709	537399109	/nfs/dbraw/zinc/39/91/09/537399109.db2.gz	WLRBBMFVBKFROJ-UHFFFAOYSA-N	1	0	352.382	1.001	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NCc1cccc(CO)c1)C(C)C	ZINC000284238639	537405240	/nfs/dbraw/zinc/40/52/40/537405240.db2.gz	YMSAHQSKWSEQMI-LJQANCHMSA-N	1	0	373.497	1.610	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1	ZINC000273216051	537416108	/nfs/dbraw/zinc/41/61/08/537416108.db2.gz	CJUHCLXBVRZQHD-DGCLKSJQSA-N	1	0	354.451	1.280	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000290850986	537427451	/nfs/dbraw/zinc/42/74/51/537427451.db2.gz	RDRDPSLRWNZWOK-FXAWDEMLSA-N	1	0	359.470	1.327	20	30		FDEDRO
CS[C@@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)C[C@@H]1[NH+]1CCCC1	ZINC000273525377	537456644	/nfs/dbraw/zinc/45/66/44/537456644.db2.gz	QFAHDQWOXHNPLD-MAUKXSAKSA-N	1	0	358.463	1.805	20	30		FDEDRO
Cc1cc(S(=O)(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1C#N	ZINC000365234814	537458864	/nfs/dbraw/zinc/45/88/64/537458864.db2.gz	QLNCLWJMLGGVLH-CGTJXYLNSA-N	1	0	363.483	1.739	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(C)nn1-c1ccccc1	ZINC000293502989	537489929	/nfs/dbraw/zinc/48/99/29/537489929.db2.gz	XIKVMCMZPUKNKD-UHFFFAOYSA-N	1	0	353.426	1.191	20	30		FDEDRO
CC#CCN(C)C(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1	ZINC000293517881	537497970	/nfs/dbraw/zinc/49/79/70/537497970.db2.gz	RDYBXCCFUDGMKZ-UHFFFAOYSA-N	1	0	358.442	1.387	20	30		FDEDRO
C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CC(=O)NCc2ccc(C#N)cc2)C[C@H](C)O1	ZINC000299249508	537509284	/nfs/dbraw/zinc/50/92/84/537509284.db2.gz	ATYPKHXLEDQCSN-FUHIMQAGSA-N	1	0	370.497	1.748	20	30		FDEDRO
C=CCC[N@@H+](C)CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000276456405	537524259	/nfs/dbraw/zinc/52/42/59/537524259.db2.gz	QEGLFWNHGAQTAV-UHFFFAOYSA-N	1	0	351.472	1.918	20	30		FDEDRO
C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cn1)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000293708652	537568415	/nfs/dbraw/zinc/56/84/15/537568415.db2.gz	LSIOWFFKKAGTSU-ZFWWWQNUSA-N	1	0	355.442	1.661	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(CCC)C2CC[NH2+]CC2)cc1	ZINC000236840675	537600955	/nfs/dbraw/zinc/60/09/55/537600955.db2.gz	PYYSPHSJSBWWLR-UHFFFAOYSA-N	1	0	365.499	1.755	20	30		FDEDRO
CCOC(=O)c1n[nH]c(C2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)n1	ZINC000277774733	537620945	/nfs/dbraw/zinc/62/09/45/537620945.db2.gz	NIMGGJKJXAJPPW-MRXNPFEDSA-N	1	0	369.425	1.766	20	30		FDEDRO
Cc1noc([C@H]2CCCN2C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)n1	ZINC000329502196	537637715	/nfs/dbraw/zinc/63/77/15/537637715.db2.gz	WEJVZIYTWZBJOU-CQSZACIVSA-N	1	0	350.467	1.455	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC3(CCOCC3)[C@H]2C)CC1	ZINC000329654041	537641520	/nfs/dbraw/zinc/64/15/20/537641520.db2.gz	FDLAOCLULIKSIF-QZTJIDSGSA-N	1	0	362.518	1.570	20	30		FDEDRO
O=C(NC1CC[NH+](CC2CCCC2)CC1)N[C@H]1CCCS(=O)(=O)C1	ZINC000329829748	537643004	/nfs/dbraw/zinc/64/30/04/537643004.db2.gz	JLNSBDLRYHRUOR-INIZCTEOSA-N	1	0	357.520	1.722	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)N1C[C@H]2OCCN(C)[C@H]2C1	ZINC000329831819	537643442	/nfs/dbraw/zinc/64/34/42/537643442.db2.gz	KFKIBGFFTFKSAQ-ITDIGPHOSA-N	1	0	369.368	1.999	20	30		FDEDRO
C[C@@H]1OCC[C@]12CN(C(=O)NC1CC[NH+](C[C@H]3CCOC3)CC1)CCO2	ZINC000329916375	537645141	/nfs/dbraw/zinc/64/51/41/537645141.db2.gz	QFRDRVOOGKMPLC-FCEWJHQRSA-N	1	0	367.490	1.281	20	30		FDEDRO
Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@H](C)N1CCOCC1	ZINC000329920610	537646036	/nfs/dbraw/zinc/64/60/36/537646036.db2.gz	FCHDZSQMZFRVCS-BPUTZDHNSA-N	1	0	368.453	1.881	20	30		FDEDRO
Cc1noc([C@H]2C[C@@H](O)CN2C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)n1	ZINC000329923338	537646587	/nfs/dbraw/zinc/64/65/87/537646587.db2.gz	GXDMHNFUFYNADJ-BPLDGKMQSA-N	1	0	365.478	1.910	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1	ZINC000329958206	537647453	/nfs/dbraw/zinc/64/74/53/537647453.db2.gz	MMKSEFAXOVZPAX-VQIMIIECSA-N	1	0	368.522	1.196	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1	ZINC000330001683	537648760	/nfs/dbraw/zinc/64/87/60/537648760.db2.gz	YETBDEKRRPXFDO-GDBMZVCRSA-N	1	0	373.457	1.304	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1	ZINC000330227086	537652001	/nfs/dbraw/zinc/65/20/01/537652001.db2.gz	PBXMGEKBNKBMFJ-CABCVRRESA-N	1	0	364.490	1.096	20	30		FDEDRO
CC[C@H](NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)N1CCOCC1	ZINC000330232044	537653181	/nfs/dbraw/zinc/65/31/81/537653181.db2.gz	FHSFYJKXRHHKAV-INIZCTEOSA-N	1	0	352.479	1.002	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)C1	ZINC000330358736	537654679	/nfs/dbraw/zinc/65/46/79/537654679.db2.gz	VGJKKRNDOAQJPS-IXDOHACOSA-N	1	0	350.463	1.811	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1	ZINC000290045304	537657379	/nfs/dbraw/zinc/65/73/79/537657379.db2.gz	AXVOBVZKVMBOOQ-UHFFFAOYSA-N	1	0	359.470	1.827	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c1	ZINC000295968964	537713954	/nfs/dbraw/zinc/71/39/54/537713954.db2.gz	CHKBPJJKKFYDHK-MRXNPFEDSA-N	1	0	361.442	1.153	20	30		FDEDRO
CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1	ZINC000285560353	537730353	/nfs/dbraw/zinc/73/03/53/537730353.db2.gz	SMAJKJZRVXGIDP-IAGOWNOFSA-N	1	0	361.442	1.851	20	30		FDEDRO
C=CCN1C(=O)c2ccccc2NC12CC[NH+](CCN1CCOCC1)CC2	ZINC000414186840	537769698	/nfs/dbraw/zinc/76/96/98/537769698.db2.gz	PLCZMMLBWZPXJS-UHFFFAOYSA-N	1	0	370.497	1.865	20	30		FDEDRO
CN(CCC#N)C(=O)CCN1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21	ZINC000404199781	537804726	/nfs/dbraw/zinc/80/47/26/537804726.db2.gz	PFKSJQXTZLJRTG-PMACEKPBSA-N	1	0	370.497	1.724	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(c2ccc(OCC[NH+](C)C)c(OC)c2)C1=O	ZINC000416405744	537828710	/nfs/dbraw/zinc/82/87/10/537828710.db2.gz	UZHJLQDWUNAVOE-AWEZNQCLSA-N	1	0	363.414	1.263	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C#Cc3ccc4c(c3)OCO4)CC2)C1	ZINC000372014264	537842433	/nfs/dbraw/zinc/84/24/33/537842433.db2.gz	WMUGHPKNIFFGIW-QGZVFWFLSA-N	1	0	355.438	1.005	20	30		FDEDRO
COC(=O)[C@H]1CN(Cc2ccc(C#N)cc2OC(F)F)CC[N@H+](C)C1	ZINC000411900364	537891386	/nfs/dbraw/zinc/89/13/86/537891386.db2.gz	DTZHQMCOZODULY-CQSZACIVSA-N	1	0	353.369	1.696	20	30		FDEDRO
C[NH+]1CCC(NC(=O)N2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)CC1	ZINC000372219987	537900278	/nfs/dbraw/zinc/90/02/78/537900278.db2.gz	WOEUSFGBYONHDA-ORAYPTAESA-N	1	0	353.426	1.136	20	30		FDEDRO
COC(=O)[C@H]1CN(Cc2cc(C#N)ccc2Br)CC[N@H+](C)C1	ZINC000411918216	537902403	/nfs/dbraw/zinc/90/24/03/537902403.db2.gz	OLARXOJEGGKHTN-CQSZACIVSA-N	1	0	366.259	1.857	20	30		FDEDRO
C[C@H]([NH2+][C@H](CO)[C@@H]1CCCOC1)C(=O)N(CCC#N)c1ccc(F)cc1	ZINC000411990853	537925345	/nfs/dbraw/zinc/92/53/45/537925345.db2.gz	IRQBMIRORSUTMA-HDMKZQKVSA-N	1	0	363.433	1.838	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1	ZINC000412004411	537934463	/nfs/dbraw/zinc/93/44/63/537934463.db2.gz	CLHWFVWAUMFYBU-QGZVFWFLSA-N	1	0	361.442	1.118	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c(F)c1	ZINC000367630377	537966087	/nfs/dbraw/zinc/96/60/87/537966087.db2.gz	FDCQFVKVZAWLCX-JJRVBVJISA-N	1	0	373.403	1.827	20	30		FDEDRO
C=CC[C@H](CC)NC(=O)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1	ZINC000415202824	537977984	/nfs/dbraw/zinc/97/79/84/537977984.db2.gz	PJLJOSXVRKOCLS-INIZCTEOSA-N	1	0	374.485	1.380	20	30		FDEDRO
CN1CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3cccnc3)C2)C[C@@H]1C#N	ZINC000368401487	537978823	/nfs/dbraw/zinc/97/88/23/537978823.db2.gz	CZUTVCXMHOTAPH-MSOLQXFVSA-N	1	0	356.474	1.143	20	30		FDEDRO
CN1CC[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)[C@H]1c1ccc(F)cc1	ZINC000377655211	537993588	/nfs/dbraw/zinc/99/35/88/537993588.db2.gz	SXHFQZPLGDUPJI-IEBWSBKVSA-N	1	0	357.433	1.816	20	30		FDEDRO
C=CCN(C(=O)NCCN1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000368924473	537993704	/nfs/dbraw/zinc/99/37/04/537993704.db2.gz	LWWPZZXIRPAUSZ-FQEVSTJZSA-N	1	0	372.513	1.791	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1	ZINC000369194853	538002365	/nfs/dbraw/zinc/00/23/65/538002365.db2.gz	GUEQEUYUEMGNNR-MRXNPFEDSA-N	1	0	371.485	1.314	20	30		FDEDRO
N#Cc1cc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)cc2)ccn1	ZINC000415316132	538003087	/nfs/dbraw/zinc/00/30/87/538003087.db2.gz	NNLIBHMNHILQFF-CQSZACIVSA-N	1	0	365.393	1.552	20	30		FDEDRO
N#Cc1ccc(NC(=O)CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1Cl	ZINC000369282235	538010533	/nfs/dbraw/zinc/01/05/33/538010533.db2.gz	ZIIPXKNMFGVORQ-DLBZAZTESA-N	1	0	362.861	1.681	20	30		FDEDRO
CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(=O)N[C@H]3CC[NH2+]C3)sc2C1	ZINC000415340322	538013579	/nfs/dbraw/zinc/01/35/79/538013579.db2.gz	WFVXHMCQDDPFLJ-NEPJUHHUSA-N	1	0	360.483	1.797	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN(CC(=O)Nc3ccc(C#N)cc3)C2)CC1	ZINC000377833369	538033481	/nfs/dbraw/zinc/03/34/81/538033481.db2.gz	YTSXCBNBTRLPRS-LJQANCHMSA-N	1	0	355.486	1.597	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)NC[C@@H]3CCC[NH2+]C3)n2)c(Cl)c1	ZINC000415448389	538052086	/nfs/dbraw/zinc/05/20/86/538052086.db2.gz	HZEXPTBSFHHHLQ-CYBMUJFWSA-N	1	0	358.833	2.518	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)cc1	ZINC000415450015	538053485	/nfs/dbraw/zinc/05/34/85/538053485.db2.gz	WCKVGAHQJZSXSS-KRWDZBQOSA-N	1	0	372.469	1.539	20	30		FDEDRO
N#C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@]12C(=O)Nc1ccccc12	ZINC000377982973	538054935	/nfs/dbraw/zinc/05/49/35/538054935.db2.gz	APUCNFSRFAZCFH-XOBRGWDASA-N	1	0	350.422	1.487	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C	ZINC000415464485	538062891	/nfs/dbraw/zinc/06/28/91/538062891.db2.gz	CVCLZIBZQQNEAD-WFASDCNBSA-N	1	0	362.430	1.818	20	30		FDEDRO
CCC([NH3+])(CC)CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000415473473	538067066	/nfs/dbraw/zinc/06/70/66/538067066.db2.gz	FNYAGPULFUCYAN-UHFFFAOYSA-N	1	0	354.357	1.732	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)c1ccc(F)c(F)c1	ZINC000419681062	538089927	/nfs/dbraw/zinc/08/99/27/538089927.db2.gz	ROHMVXNYFLKHHC-MAUKXSAKSA-N	1	0	351.397	1.896	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1)c1ccc(F)c(F)c1	ZINC000419681683	538089997	/nfs/dbraw/zinc/08/99/97/538089997.db2.gz	SBIKLHUSXCGYTN-RBOXIYTFSA-N	1	0	351.397	1.955	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)c1	ZINC000415873298	538091158	/nfs/dbraw/zinc/09/11/58/538091158.db2.gz	UPABGCLDSMPDBZ-HUUCEWRRSA-N	1	0	356.426	1.376	20	30		FDEDRO
N#Cc1cccc(NC(=O)C2CCN(C(=O)NCC3([NH3+])CCC3)CC2)c1	ZINC000418506669	538093942	/nfs/dbraw/zinc/09/39/42/538093942.db2.gz	GYPPXAWGNMXNNC-UHFFFAOYSA-N	1	0	355.442	1.800	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)NC[C@H]3CCC[C@H]([NH3+])C3)CC2)cc1	ZINC000418721863	538100309	/nfs/dbraw/zinc/10/03/09/538100309.db2.gz	MMKYGVSIIPICFZ-OALUTQOASA-N	1	0	355.486	1.903	20	30		FDEDRO
COCCOC[C@H](O)C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000450326615	538121029	/nfs/dbraw/zinc/12/10/29/538121029.db2.gz	IBRFGDPMUNAGFL-QGZVFWFLSA-N	1	0	370.453	1.252	20	30		FDEDRO
CN(CC(C)(C)C#N)C(=O)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1	ZINC000423717583	538148535	/nfs/dbraw/zinc/14/85/35/538148535.db2.gz	AGOVAIQKQJROCJ-CVEARBPZSA-N	1	0	360.433	1.477	20	30		FDEDRO
CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCCN(c2ccccc2C#N)CC1	ZINC000419947677	538160448	/nfs/dbraw/zinc/16/04/48/538160448.db2.gz	DCHITMIUMDEPCA-KRWDZBQOSA-N	1	0	371.485	1.087	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)C(=O)N[C@H]3CCCC[NH2+]C3)CC2)cc1	ZINC000419952074	538164278	/nfs/dbraw/zinc/16/42/78/538164278.db2.gz	NVLOPRBBGPORHH-INIZCTEOSA-N	1	0	370.453	1.186	20	30		FDEDRO
N#CCc1ccc(NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)cc1	ZINC000432638830	538166330	/nfs/dbraw/zinc/16/63/30/538166330.db2.gz	PTXQIVLMFRDQHH-UHFFFAOYSA-N	1	0	357.458	1.866	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@H]1CCC[C@@H]1C[NH3+]	ZINC000420016767	538188594	/nfs/dbraw/zinc/18/85/94/538188594.db2.gz	NOAQRJZMMPSWAU-ZBFHGGJFSA-N	1	0	360.414	1.353	20	30		FDEDRO
C[NH+](C)C[C@H](O)COc1ccc(NS(=O)(=O)CC2(CC#N)CC2)cc1	ZINC000451225730	538211198	/nfs/dbraw/zinc/21/11/98/538211198.db2.gz	JJNAMRZQMXFOGG-HNNXBMFYSA-N	1	0	367.471	1.423	20	30		FDEDRO
N#CCCn1cc(C[NH2+]C[C@H]2CCCCS2(=O)=O)c(-c2ccncc2)n1	ZINC000433327061	538224552	/nfs/dbraw/zinc/22/45/52/538224552.db2.gz	QRFJKPYAXKJEDV-QGZVFWFLSA-N	1	0	373.482	1.916	20	30		FDEDRO
CC(C)(CC#N)CNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000422331045	538229091	/nfs/dbraw/zinc/22/90/91/538229091.db2.gz	WTFOKLFYSKCLHL-QGZVFWFLSA-N	1	0	356.470	1.823	20	30		FDEDRO
CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	ZINC000420127912	538231050	/nfs/dbraw/zinc/23/10/50/538231050.db2.gz	SJFLMHKGGSSNDB-SQNIBIBYSA-N	1	0	356.470	1.918	20	30		FDEDRO
CC[C@]1(c2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc2)CCC(=O)NC1=O	ZINC000424089157	538231154	/nfs/dbraw/zinc/23/11/54/538231154.db2.gz	VJFJBKDEAZFQKP-HNAYVOBHSA-N	1	0	356.426	1.731	20	30		FDEDRO
CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	ZINC000420127906	538231202	/nfs/dbraw/zinc/23/12/02/538231202.db2.gz	SJFLMHKGGSSNDB-FGTMMUONSA-N	1	0	356.470	1.918	20	30		FDEDRO
C=CCn1c(Cc2ccccn2)nnc1N1CC[NH+](C(C)(C)COC)CC1	ZINC000424119174	538239385	/nfs/dbraw/zinc/23/93/85/538239385.db2.gz	CTHCHTSOFVCWJQ-UHFFFAOYSA-N	1	0	370.501	1.997	20	30		FDEDRO
C[C@](NC(=O)[C@H]([NH3+])CCCC#N)(C(N)=O)c1cccc(C(F)(F)F)c1	ZINC000424123410	538240893	/nfs/dbraw/zinc/24/08/93/538240893.db2.gz	KJLBVNXRVVIWNN-IUODEOHRSA-N	1	0	356.348	1.543	20	30		FDEDRO
Cc1cccc(O[C@@H](C)C(=O)N2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)c1	ZINC000424126572	538242968	/nfs/dbraw/zinc/24/29/68/538242968.db2.gz	OYBHQBHDZYLXMC-WMZOPIPTSA-N	1	0	372.469	1.454	20	30		FDEDRO
Cc1ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc1N1CCCS1(=O)=O	ZINC000424133234	538244522	/nfs/dbraw/zinc/24/45/22/538244522.db2.gz	XEZITPMXBFSQIW-AWEZNQCLSA-N	1	0	350.444	1.495	20	30		FDEDRO
C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)[C@H]([NH3+])CCCC#N	ZINC000424152103	538247741	/nfs/dbraw/zinc/24/77/41/538247741.db2.gz	IGMUJTYPQHMHOA-PKOBYXMFSA-N	1	0	358.486	1.757	20	30		FDEDRO
COC(=O)c1ccc(N2CCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H](C)C2)cc1	ZINC000424193753	538252570	/nfs/dbraw/zinc/25/25/70/538252570.db2.gz	RFLOURHDXIZPBV-YOEHRIQHSA-N	1	0	358.442	1.531	20	30		FDEDRO
CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000446144963	538278295	/nfs/dbraw/zinc/27/82/95/538278295.db2.gz	JNXRCLJCKVMSCE-VPWXQRGCSA-N	1	0	369.469	1.134	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H]1CCC[C@@H]([NH3+])C1	ZINC000420425208	538291283	/nfs/dbraw/zinc/29/12/83/538291283.db2.gz	OUTIFXJXPCAEEH-NXEZZACHSA-N	1	0	358.261	1.869	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NCc1cc(OC)c(OC)c(OC)c1	ZINC000451671820	538297574	/nfs/dbraw/zinc/29/75/74/538297574.db2.gz	GUSCEIKUTSSJEP-CABCVRRESA-N	1	0	364.442	1.652	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1CCN(Cc2ccccc2C)CC1	ZINC000451678213	538300581	/nfs/dbraw/zinc/30/05/81/538300581.db2.gz	WOGDTOKZNDUYOO-UXHICEINSA-N	1	0	357.498	1.962	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1	ZINC000424446272	538303744	/nfs/dbraw/zinc/30/37/44/538303744.db2.gz	HZLBDUOYXZYLQF-DLBZAZTESA-N	1	0	367.453	1.431	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N(C)CCN2CCOC(C)(C)C2)CC1	ZINC000434197553	538309259	/nfs/dbraw/zinc/30/92/59/538309259.db2.gz	RGARJTDOUDTZNQ-UHFFFAOYSA-N	1	0	352.523	1.779	20	30		FDEDRO
C=C(C)COCCNC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C	ZINC000434814106	538353453	/nfs/dbraw/zinc/35/34/53/538353453.db2.gz	MVMSHZOZHKBGFD-INIZCTEOSA-N	1	0	361.442	1.719	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21	ZINC000425824297	538414309	/nfs/dbraw/zinc/41/43/09/538414309.db2.gz	YGMHPVHDLBANIJ-DOTOQJQBSA-N	1	0	370.453	1.837	20	30		FDEDRO
CCC[NH+]1CCC(CNC(=O)C(=O)Nc2cnc(C#N)c(Cl)c2)CC1	ZINC000453653616	538417099	/nfs/dbraw/zinc/41/70/99/538417099.db2.gz	MOOSVZUOJFIFGJ-UHFFFAOYSA-N	1	0	363.849	1.783	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1	ZINC000460063062	538462928	/nfs/dbraw/zinc/46/29/28/538462928.db2.gz	VZLPWJLEHUHOKQ-KRWDZBQOSA-N	1	0	365.518	1.903	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+]CCNC(=O)c3cnccn3)CC2)cc1	ZINC000560528353	545537138	/nfs/dbraw/zinc/53/71/38/545537138.db2.gz	QBRRKAXPMNFNLF-UHFFFAOYSA-N	1	0	350.426	1.337	20	30		FDEDRO
Cn1ncc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1C#N	ZINC000477119851	538599457	/nfs/dbraw/zinc/59/94/57/538599457.db2.gz	VKUHJNDGMQUDNL-INIZCTEOSA-N	1	0	353.426	1.313	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1	ZINC000487088139	538601548	/nfs/dbraw/zinc/60/15/48/538601548.db2.gz	TVUFFOXIWRKSNU-JKSUJKDBSA-N	1	0	365.499	1.754	20	30		FDEDRO
C[C@@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)C(=O)N(CCC#N)c1ccc(F)cc1	ZINC000501143823	538630640	/nfs/dbraw/zinc/63/06/40/538630640.db2.gz	POEMDRVBWMUPEW-BEFAXECRSA-N	1	0	374.460	1.914	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCCn2cnc(C#N)n2)CC[N@H+](Cc2ccccc2)C1	ZINC000454938576	538643477	/nfs/dbraw/zinc/64/34/77/538643477.db2.gz	GFAFNVLOUWIWNC-INIZCTEOSA-N	1	0	367.457	1.313	20	30		FDEDRO
C[N@H+](CCCCNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)C1CC1	ZINC000455609033	538679874	/nfs/dbraw/zinc/67/98/74/538679874.db2.gz	KAXZXXYWKFHCQJ-UHFFFAOYSA-N	1	0	356.474	1.659	20	30		FDEDRO
CS[C@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)C[C@@H]1[NH+]1CCCC1	ZINC000483394150	538699668	/nfs/dbraw/zinc/69/96/68/538699668.db2.gz	MXUSMJOWDLDCHX-IRXDYDNUSA-N	1	0	372.494	1.326	20	30		FDEDRO
CCN(C[C@H](C)C#N)[C@H](C)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2	ZINC000488644525	538753200	/nfs/dbraw/zinc/75/32/00/538753200.db2.gz	LTKNXEKIEVJWHP-CHWSQXEVSA-N	1	0	360.414	1.976	20	30		FDEDRO
Cc1nc(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)sc1SCC#N	ZINC000469133424	538779663	/nfs/dbraw/zinc/77/96/63/538779663.db2.gz	UJZMECRTZNYGTJ-LLVKDONJSA-N	1	0	367.500	1.416	20	30		FDEDRO
CCS[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000503454750	538804318	/nfs/dbraw/zinc/80/43/18/538804318.db2.gz	RTTIUHIVEVVCAL-GVDBMIGSSA-N	1	0	352.548	1.943	20	30		FDEDRO
C[NH+]1CCC(CNc2cc(C#N)c3ccccc3n2)(N2CCOCC2)CC1	ZINC000560828411	545614574	/nfs/dbraw/zinc/61/45/74/545614574.db2.gz	GRTKMFLEUNZBLW-UHFFFAOYSA-N	1	0	365.481	2.315	20	30		FDEDRO
Cc1cc(C#N)nc(NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)n1	ZINC000561141387	545707918	/nfs/dbraw/zinc/70/79/18/545707918.db2.gz	PIBLMEXYXJIMIA-LJQANCHMSA-N	1	0	350.470	2.447	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000561355948	545816580	/nfs/dbraw/zinc/81/65/80/545816580.db2.gz	RROVAQXIAXUIAK-MRXNPFEDSA-N	1	0	351.491	1.609	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](Cc3ccccc3)C2)CC1	ZINC000561414831	545838591	/nfs/dbraw/zinc/83/85/91/545838591.db2.gz	DRDVSMUFJRPDIC-SFHVURJKSA-N	1	0	355.482	1.844	20	30		FDEDRO
Cc1ccccc1[C@@H]([C@@H](C)Nc1c(C#N)c(=O)n(C)c(=O)n1C)[NH+](C)C	ZINC000561436078	545851136	/nfs/dbraw/zinc/85/11/36/545851136.db2.gz	KQZYQTHPJGQUHI-CZUORRHYSA-N	1	0	355.442	1.367	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC2(OC)CCC(C)CC2)CC1	ZINC000561439674	545852763	/nfs/dbraw/zinc/85/27/63/545852763.db2.gz	ZWYZJAYYJOZVMO-UHFFFAOYSA-N	1	0	365.518	1.855	20	30		FDEDRO
C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCn2cnc(C#N)n2)CC1	ZINC000561661464	545921597	/nfs/dbraw/zinc/92/15/97/545921597.db2.gz	IGQVJGQVJLLGTH-AWEZNQCLSA-N	1	0	368.445	1.070	20	30		FDEDRO
CN(C)C(=O)c1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1	ZINC000561855569	545969192	/nfs/dbraw/zinc/96/91/92/545969192.db2.gz	GEBYQDOQBKJNPX-UHFFFAOYSA-N	1	0	372.450	1.219	20	30		FDEDRO
N#CC1(NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)CC[NH+](Cc2ccccc2)CC1	ZINC000562291291	546080429	/nfs/dbraw/zinc/08/04/29/546080429.db2.gz	OKSNUDXUSJTBKU-IPMKNSEASA-N	1	0	369.465	1.712	20	30		FDEDRO
C[C@H]1COCC[N@@H+]1C1CCN(CC(=O)NCc2ccc(C#N)cc2)CC1	ZINC000562478845	546152292	/nfs/dbraw/zinc/15/22/92/546152292.db2.gz	PMTPOASBWUCFLB-INIZCTEOSA-N	1	0	356.470	1.360	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)CC1	ZINC000562544949	546174150	/nfs/dbraw/zinc/17/41/50/546174150.db2.gz	GYMCORKQZPTQOA-YRXWBPOGSA-N	1	0	362.518	1.304	20	30		FDEDRO
CN1CC[NH2+]C[C@H]1CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	ZINC000562746893	546252577	/nfs/dbraw/zinc/25/25/77/546252577.db2.gz	UVGPDLZOPCANNJ-HNNXBMFYSA-N	1	0	370.482	1.631	20	30		FDEDRO
C[C@H](CN1CCC[C@@H](C)C1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000562984190	546340580	/nfs/dbraw/zinc/34/05/80/546340580.db2.gz	ABBINCPZWGUFCT-HUUCEWRRSA-N	1	0	350.488	1.437	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)nc1	ZINC000562998245	546348744	/nfs/dbraw/zinc/34/87/44/546348744.db2.gz	DDIIBCCVSBWVER-DLBZAZTESA-N	1	0	372.450	1.632	20	30		FDEDRO
CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)[C@H]1n1cccn1	ZINC000563000030	546349052	/nfs/dbraw/zinc/34/90/52/546349052.db2.gz	HKJOOPOMMDTONM-GDAAHCPNSA-N	1	0	356.426	1.503	20	30		FDEDRO
CCS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H](O)CN(C)CCC#N)cc1	ZINC000563013002	546354692	/nfs/dbraw/zinc/35/46/92/546354692.db2.gz	YPCZLXSOHKHZGU-HOCLYGCPSA-N	1	0	353.488	1.337	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1	ZINC000563057374	546375541	/nfs/dbraw/zinc/37/55/41/546375541.db2.gz	SLPMXEYSDZERTA-SJORKVTESA-N	1	0	364.877	1.851	20	30		FDEDRO
C=CCn1c(CC(F)(F)F)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000563126150	546417004	/nfs/dbraw/zinc/41/70/04/546417004.db2.gz	PUUFEZZMFMWHCE-ZDUSSCGKSA-N	1	0	359.396	1.727	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1Br	ZINC000563129235	546417480	/nfs/dbraw/zinc/41/74/80/546417480.db2.gz	GUSBSIJBFNRYBA-BXUZGUMPSA-N	1	0	370.272	1.693	20	30		FDEDRO
C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000563144046	546423241	/nfs/dbraw/zinc/42/32/41/546423241.db2.gz	OWWCNUYRNRZXIJ-SQHUISNBSA-N	1	0	373.457	1.001	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)s1	ZINC000563445605	546538952	/nfs/dbraw/zinc/53/89/52/546538952.db2.gz	HYJCHSXHJJJBQX-DZGCQCFKSA-N	1	0	355.485	1.527	20	30		FDEDRO
C=C(C)[C@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)c1ccc(F)c(F)c1	ZINC000563583839	546598371	/nfs/dbraw/zinc/59/83/71/546598371.db2.gz	CIDPDSZJOONCQU-INIZCTEOSA-N	1	0	352.385	1.313	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C	ZINC000564095061	546805828	/nfs/dbraw/zinc/80/58/28/546805828.db2.gz	OKJJFLOAYSDHBF-RDJZCZTQSA-N	1	0	350.488	1.719	20	30		FDEDRO
CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC(=O)Nc3oc(C)c(C)c3C#N)[C@H]2C1	ZINC000564153165	546824049	/nfs/dbraw/zinc/82/40/49/546824049.db2.gz	UQOJINUDGTUGTB-BHYGNILZSA-N	1	0	358.442	1.943	20	30		FDEDRO
C[C@H](CCNC(=O)C(=O)N1CCc2ccc(C#N)cc21)[NH+]1CCCCC1	ZINC000564183831	546835214	/nfs/dbraw/zinc/83/52/14/546835214.db2.gz	FUZHQKSNVMHHRB-OAHLLOKOSA-N	1	0	354.454	1.828	20	30		FDEDRO
COc1ccc([C@H](CO)C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cc1	ZINC000564974898	547137110	/nfs/dbraw/zinc/13/71/10/547137110.db2.gz	DQVVBQQEPNHWAB-KRWDZBQOSA-N	1	0	374.462	1.706	20	30		FDEDRO
CC[C@@H](CC#N)[NH2+]CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000565169366	547231257	/nfs/dbraw/zinc/23/12/57/547231257.db2.gz	AJPAZXUDJONSLS-HNNXBMFYSA-N	1	0	367.471	1.368	20	30		FDEDRO
CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cc(C)c(C#N)cn1)c1ccco1	ZINC000565191285	547244867	/nfs/dbraw/zinc/24/48/67/547244867.db2.gz	ODIVXERIQMOJLW-HNNXBMFYSA-N	1	0	369.425	1.993	20	30		FDEDRO
C[NH2+]CCCC(=O)N1CCC(NC(=O)N(C)Cc2ccc(C#N)cc2)CC1	ZINC000565248899	547274649	/nfs/dbraw/zinc/27/46/49/547274649.db2.gz	FMEPXXVXCMYFEF-UHFFFAOYSA-N	1	0	371.485	1.690	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1sc2c(c1C(=O)OC)CCC2	ZINC000565403691	547335068	/nfs/dbraw/zinc/33/50/68/547335068.db2.gz	RUJHGBJBTUXBET-NEPJUHHUSA-N	1	0	350.440	1.895	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)NCC3=CC[NH2+]CC3)C2=O)cc1	ZINC000565528753	547385927	/nfs/dbraw/zinc/38/59/27/547385927.db2.gz	APKCYDHGWBJHKB-QGZVFWFLSA-N	1	0	353.426	1.273	20	30		FDEDRO
Cc1ccc(C[C@H](CO)[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)cc1	ZINC000565540123	547391080	/nfs/dbraw/zinc/39/10/80/547391080.db2.gz	IYVPCGYIHWYKHS-UXHICEINSA-N	1	0	354.450	1.994	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)Oc2ccccc2C)CC1	ZINC000565556686	547397217	/nfs/dbraw/zinc/39/72/17/547397217.db2.gz	TUYHRLQZRRVWEB-MRXNPFEDSA-N	1	0	359.470	1.645	20	30		FDEDRO
CN1CC[N@H+](CCCNC(=O)[C@@H]([NH3+])CCCC#N)[C@@H](c2ccccc2)C1	ZINC000565713669	547452614	/nfs/dbraw/zinc/45/26/14/547452614.db2.gz	JFUAOWITKHCHLL-RBUKOAKNSA-N	1	0	357.502	1.503	20	30		FDEDRO
CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCC3(C#N)CC3)c2)CC1	ZINC000565886432	547519332	/nfs/dbraw/zinc/51/93/32/547519332.db2.gz	QNVXXIRGQNGWJO-UHFFFAOYSA-N	1	0	355.442	1.187	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1	ZINC000566113684	547609674	/nfs/dbraw/zinc/60/96/74/547609674.db2.gz	VKKXUFPZRZFEEX-ZIFCJYIRSA-N	1	0	362.470	1.380	20	30		FDEDRO
N#Cc1ccc(Br)c(CN2C(=O)N[C@@]3(CCC[NH2+]C3)C2=O)c1	ZINC000566182835	547647391	/nfs/dbraw/zinc/64/73/91/547647391.db2.gz	KZPSRYRLFSBEKH-OAHLLOKOSA-N	1	0	363.215	1.495	20	30		FDEDRO
COC[C@]1(C[NH2+]Cc2cnc3c(C#N)cnn3c2)OCCc2ccccc21	ZINC000566241856	547679272	/nfs/dbraw/zinc/67/92/72/547679272.db2.gz	BRWSBIMJDUYDOB-FQEVSTJZSA-N	1	0	363.421	1.805	20	30		FDEDRO
C[NH2+]CCCC(=O)N1CCC(NC(=O)NCC#Cc2cccc(F)c2)CC1	ZINC000567250874	548051254	/nfs/dbraw/zinc/05/12/54/548051254.db2.gz	XMGGSLUDLCDIOR-UHFFFAOYSA-N	1	0	374.460	1.467	20	30		FDEDRO
COC(=O)[C@@H](NC(=O)CN1CCC(C#N)(c2ccccn2)CC1)C(C)C	ZINC000567430693	548114776	/nfs/dbraw/zinc/11/47/76/548114776.db2.gz	GREUMNMVRWTNHK-KRWDZBQOSA-N	1	0	358.442	1.253	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3C[C@@H]4CC[NH2+]C[C@H]4C3)n2)c(Cl)c1	ZINC000567569968	548164173	/nfs/dbraw/zinc/16/41/73/548164173.db2.gz	SOIJVCYUMXPUDY-KBPBESRZSA-N	1	0	370.844	2.471	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N1CCC[C@H](C[NH3+])C1	ZINC000567650941	548195039	/nfs/dbraw/zinc/19/50/39/548195039.db2.gz	FBDZJTWBWQMKQW-NXHRZFHOSA-N	1	0	354.454	1.482	20	30		FDEDRO
CCc1n[nH]c(=O)c(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)c1CC	ZINC000567687739	548213464	/nfs/dbraw/zinc/21/34/64/548213464.db2.gz	ATCHUJBBLDOCBY-AWEZNQCLSA-N	1	0	356.426	1.708	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](OCC3CC3)C2)CC1	ZINC000567936382	548330867	/nfs/dbraw/zinc/33/08/67/548330867.db2.gz	VDHYSKCZGAIVAF-GOSISDBHSA-N	1	0	363.502	1.561	20	30		FDEDRO
C[C@H](C(=O)N1CCCC1)N1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1	ZINC000568457954	548543672	/nfs/dbraw/zinc/54/36/72/548543672.db2.gz	QFZZRQRHPZDZBF-CQSZACIVSA-N	1	0	357.414	1.599	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(S(=O)(=O)CC2(C#N)CCCC2)CC1	ZINC000569541991	548953583	/nfs/dbraw/zinc/95/35/83/548953583.db2.gz	ZBVALPXYUDTBNA-UHFFFAOYSA-N	1	0	364.471	1.626	20	30		FDEDRO
C=CCN1CCC([NH2+]C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)CC1	ZINC000569961180	549110374	/nfs/dbraw/zinc/11/03/74/549110374.db2.gz	ZZBSLEKICLZWIH-QGZVFWFLSA-N	1	0	359.470	1.551	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)cc1	ZINC000570111553	549162143	/nfs/dbraw/zinc/16/21/43/549162143.db2.gz	ULCCJTAWSPSBIE-MISYRCLQSA-N	1	0	360.454	1.402	20	30		FDEDRO
C=CCc1cc(CN2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)cc(OC)c1O	ZINC000570131849	549167909	/nfs/dbraw/zinc/16/79/09/549167909.db2.gz	AZIBLUIFOFWQPL-SFHVURJKSA-N	1	0	373.497	1.916	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@]2(CCC)COC)CC1	ZINC000570185926	549188705	/nfs/dbraw/zinc/18/87/05/549188705.db2.gz	OUENBHXCVVPOIA-IBGZPJMESA-N	1	0	351.491	1.561	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1	ZINC000570541966	549317970	/nfs/dbraw/zinc/31/79/70/549317970.db2.gz	JBJCXUDSWUPIDL-CVEARBPZSA-N	1	0	351.491	1.322	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1	ZINC000570803089	549418148	/nfs/dbraw/zinc/41/81/48/549418148.db2.gz	DXRHNXINEHGOQW-RBUKOAKNSA-N	1	0	361.486	1.313	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1	ZINC000571070119	549516036	/nfs/dbraw/zinc/51/60/36/549516036.db2.gz	GZBSAYMIMSLAPV-ULQDDVLXSA-N	1	0	351.491	1.320	20	30		FDEDRO
C[NH+]1CCC(N(C[C@@H](O)CC(C)(C)C)S(=O)(=O)CCCC#N)CC1	ZINC000572265219	549878785	/nfs/dbraw/zinc/87/87/85/549878785.db2.gz	IZKCYEOLPUYNNY-INIZCTEOSA-N	1	0	359.536	1.813	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCc2cc(F)ccc2F)nc1	ZINC000572594819	549950548	/nfs/dbraw/zinc/95/05/48/549950548.db2.gz	GGAXVHPQILRXDJ-UHFFFAOYSA-N	1	0	351.378	1.837	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1	ZINC000572796660	549996812	/nfs/dbraw/zinc/99/68/12/549996812.db2.gz	TYZCKRWJWCGRGE-SFHVURJKSA-N	1	0	365.518	1.810	20	30		FDEDRO
COc1cc(CNC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)ccc1C#N	ZINC000572944211	550028746	/nfs/dbraw/zinc/02/87/46/550028746.db2.gz	DSJLLBYCPREGIR-UHFFFAOYSA-N	1	0	371.485	1.582	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)nc1	ZINC000573565180	550165837	/nfs/dbraw/zinc/16/58/37/550165837.db2.gz	WNPBNKATHCEAQE-IEBWSBKVSA-N	1	0	371.462	1.483	20	30		FDEDRO
C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)N1CCCC[C@@H]1C	ZINC000573760983	550206690	/nfs/dbraw/zinc/20/66/90/550206690.db2.gz	SNUYZEZXZKIBFO-GJZGRUSLSA-N	1	0	350.488	1.579	20	30		FDEDRO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CC(C)(C(N)=O)C3)sc2C1	ZINC000574036594	550249818	/nfs/dbraw/zinc/24/98/18/550249818.db2.gz	WQDONLRBJITOAO-NSHDSACASA-N	1	0	360.483	1.880	20	30		FDEDRO
CN(C)C(=O)C1(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CCCC1	ZINC000574151981	550266016	/nfs/dbraw/zinc/26/60/16/550266016.db2.gz	ZCIJKODVUCCGQA-QGZVFWFLSA-N	1	0	359.470	1.731	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NCc2cnc3c(C#N)cnn3c2)[C@H](C)C1	ZINC000574324582	550295932	/nfs/dbraw/zinc/29/59/32/550295932.db2.gz	RYUJXSLKWVMXNQ-CRAIPNDOSA-N	1	0	356.474	1.828	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]CCOCC(F)(F)C(F)F)c1	ZINC000574445689	550315021	/nfs/dbraw/zinc/31/50/21/550315021.db2.gz	ANXQWHZIUPILMW-UHFFFAOYSA-N	1	0	368.352	1.839	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1	ZINC000574512692	550326173	/nfs/dbraw/zinc/32/61/73/550326173.db2.gz	SPNQVLMSNXDWTO-RPVQJOFSSA-N	1	0	366.412	1.033	20	30		FDEDRO
COc1cc(CNC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)ccc1C#N	ZINC000574675409	550352177	/nfs/dbraw/zinc/35/21/77/550352177.db2.gz	LCOKYJFEUQEVKV-HNNXBMFYSA-N	1	0	359.474	1.392	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1F	ZINC000575222844	550446137	/nfs/dbraw/zinc/44/61/37/550446137.db2.gz	WWIHAJGJULUGHN-CYBMUJFWSA-N	1	0	374.416	1.253	20	30		FDEDRO
C=CCCCNC(=O)C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000575494913	550464807	/nfs/dbraw/zinc/46/48/07/550464807.db2.gz	CQGYHZSNSXFVJZ-IAGOWNOFSA-N	1	0	365.518	1.807	20	30		FDEDRO
Cn1cc(CN2C[C@@H](F)C[C@H]2C[NH2+]Cc2cnc3c(C#N)cnn3c2)cn1	ZINC000576160666	550517630	/nfs/dbraw/zinc/51/76/30/550517630.db2.gz	SZUPPGVTRYWQGV-IRXDYDNUSA-N	1	0	368.420	1.037	20	30		FDEDRO
N#Cc1ccc(CNC(=O)CN2CCC(CO)([NH2+]CC3CC3)CC2)cc1	ZINC000576230741	550525749	/nfs/dbraw/zinc/52/57/49/550525749.db2.gz	NBCHTWQWYVSWES-UHFFFAOYSA-N	1	0	356.470	1.001	20	30		FDEDRO
CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000576578429	550564346	/nfs/dbraw/zinc/56/43/46/550564346.db2.gz	SIFKYLNAEJNMIH-SZVBFZGTSA-N	1	0	359.470	1.775	20	30		FDEDRO
CC(C)(C)[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CCO1	ZINC000577097403	550620167	/nfs/dbraw/zinc/62/01/67/550620167.db2.gz	FUMOMVNIVPKUSC-LSDHHAIUSA-N	1	0	351.472	1.910	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)ncc1C#N	ZINC000577290478	550640939	/nfs/dbraw/zinc/64/09/39/550640939.db2.gz	OSEFWCDQVLXWQO-UHFFFAOYSA-N	1	0	355.442	1.677	20	30		FDEDRO
Cc1cccc(C[C@@H](CO)[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)c1	ZINC000577850686	550701636	/nfs/dbraw/zinc/70/16/36/550701636.db2.gz	GXWMDHITZLJEGK-VQTJNVASSA-N	1	0	354.450	1.994	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H](CO)c2ccc(F)cc2)nc1	ZINC000578323787	550752070	/nfs/dbraw/zinc/75/20/70/550752070.db2.gz	WPYVBSPFQPESNI-OAHLLOKOSA-N	1	0	363.414	1.232	20	30		FDEDRO
COc1cc(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)ccc1C#N	ZINC000578590298	550779677	/nfs/dbraw/zinc/77/96/77/550779677.db2.gz	XLSBDQVODOKBSN-RDJZCZTQSA-N	1	0	350.440	1.393	20	30		FDEDRO
C[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)Oc1ccccc1F	ZINC000578998292	550824465	/nfs/dbraw/zinc/82/44/65/550824465.db2.gz	QUTWVDUWAWBYBD-CYBMUJFWSA-N	1	0	363.414	1.923	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@]2(C1)CCC[NH2+]C2	ZINC000579108617	550836635	/nfs/dbraw/zinc/83/66/35/550836635.db2.gz	HIICXLHYJUVRRA-OAHLLOKOSA-N	1	0	350.400	1.231	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1	ZINC000579253280	550852691	/nfs/dbraw/zinc/85/26/91/550852691.db2.gz	ODHNYAPUGLFQRJ-LJQANCHMSA-N	1	0	373.497	1.423	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000579827891	550914470	/nfs/dbraw/zinc/91/44/70/550914470.db2.gz	ZGQDSZXULJGTKL-MOPGFXCFSA-N	1	0	358.486	1.016	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@H](C[NH3+])C1	ZINC000579831625	550914887	/nfs/dbraw/zinc/91/48/87/550914887.db2.gz	CSXWMVKJTAWMTM-SNVBAGLBSA-N	1	0	358.261	1.680	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCCS(=O)(=O)C1	ZINC000579944291	550926147	/nfs/dbraw/zinc/92/61/47/550926147.db2.gz	LAUHJNQHPISWCG-NVXWUHKLSA-N	1	0	353.484	1.569	20	30		FDEDRO
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1	ZINC000579973850	550930026	/nfs/dbraw/zinc/93/00/26/550930026.db2.gz	OADYWMSXLQYGOC-MCIONIFRSA-N	1	0	373.482	1.857	20	30		FDEDRO
C[C@@H](NS(=O)(=O)c1cccc(Br)c1C#N)[C@H]1CCC[NH2+]C1	ZINC000580193420	550953515	/nfs/dbraw/zinc/95/35/15/550953515.db2.gz	AVZZGFSJMJKJNF-MNOVXSKESA-N	1	0	372.288	1.987	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](CNC(=O)C2CCN(c3oc(C)nc3C#N)CC2)C1	ZINC000580348955	550969998	/nfs/dbraw/zinc/96/99/98/550969998.db2.gz	LKHLZUYMSYLISA-OAHLLOKOSA-N	1	0	359.474	1.919	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1	ZINC000580564159	550995670	/nfs/dbraw/zinc/99/56/70/550995670.db2.gz	MOWWNQMIYIWMSU-ZWNOBZJWSA-N	1	0	370.272	1.693	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)NC1CCC(N2CC[NH2+]CC2)CC1	ZINC000580577810	550997270	/nfs/dbraw/zinc/99/72/70/550997270.db2.gz	WHBLPPJETKYMMV-ZLPCBKJTSA-N	1	0	356.470	1.658	20	30		FDEDRO
N#CCCC1CCN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC1	ZINC000580773650	551017061	/nfs/dbraw/zinc/01/70/61/551017061.db2.gz	GICGSAQJMNNIHJ-SFHVURJKSA-N	1	0	354.454	1.613	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)N3CCC[C@H](C[NH3+])C3)CC2)cc1	ZINC000580828053	551022709	/nfs/dbraw/zinc/02/27/09/551022709.db2.gz	UQYFYQGAOGWUCG-MRXNPFEDSA-N	1	0	352.438	1.371	20	30		FDEDRO
C=CCn1c(CCCC)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000580979555	551039406	/nfs/dbraw/zinc/03/94/06/551039406.db2.gz	LELDMHFAHHGMDZ-MRXNPFEDSA-N	1	0	360.506	1.550	20	30		FDEDRO
C[C@@H]1CN(Cc2cccc(C[NH2+]C[C@H](O)CN(C)CCC#N)c2)CCO1	ZINC000581066862	551048476	/nfs/dbraw/zinc/04/84/76/551048476.db2.gz	ZCZGFMQKHOQATC-XLIONFOSSA-N	1	0	360.502	1.203	20	30		FDEDRO
Cn1cc([C@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C2(CO)CCC2)cn1	ZINC000581407933	551085512	/nfs/dbraw/zinc/08/55/12/551085512.db2.gz	VDBGSKUJNHIROC-MJGOQNOKSA-N	1	0	370.453	1.525	20	30		FDEDRO
CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000581603486	551110856	/nfs/dbraw/zinc/11/08/56/551110856.db2.gz	YNGSBAZMOLMUMK-HUUCEWRRSA-N	1	0	370.496	1.277	20	30		FDEDRO
CCCC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(CC#N)cc2)CC1	ZINC000581666369	551119610	/nfs/dbraw/zinc/11/96/10/551119610.db2.gz	YPEXYXNSMOMTNQ-UHFFFAOYSA-N	1	0	356.470	1.750	20	30		FDEDRO
COC(=O)c1ccc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(C#N)n1	ZINC000582072760	551172039	/nfs/dbraw/zinc/17/20/39/551172039.db2.gz	HUFJNKKKNQXXMD-PBHICJAKSA-N	1	0	357.458	1.202	20	30		FDEDRO
C=CCn1c([C@H]2COCCO2)nnc1N1CC[NH+](Cc2ccccc2)CC1	ZINC000582158067	551183682	/nfs/dbraw/zinc/18/36/82/551183682.db2.gz	KAJZCOUQIINWKA-GOSISDBHSA-N	1	0	369.469	1.874	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C1(S(C)(=O)=O)CC[NH2+]CC1	ZINC000582423087	551222277	/nfs/dbraw/zinc/22/22/77/551222277.db2.gz	GVBRNYRMINDTIX-UHFFFAOYSA-N	1	0	350.484	1.411	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]CCOc1cccc(Br)c1	ZINC000582899900	551278887	/nfs/dbraw/zinc/27/88/87/551278887.db2.gz	QQIRROUAIZMHIT-CQSZACIVSA-N	1	0	356.264	1.624	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1cccc(C#N)c1	ZINC000583016764	551291555	/nfs/dbraw/zinc/29/15/55/551291555.db2.gz	HFTWVECUWMQCDA-PBHICJAKSA-N	1	0	350.488	1.870	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]C[C@H](CO)Cc3ccc(F)c(F)c3)cnc12	ZINC000583500437	551361576	/nfs/dbraw/zinc/36/15/76/551361576.db2.gz	WYSZEYGSROBDOD-CYBMUJFWSA-N	1	0	357.364	1.820	20	30		FDEDRO
CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000583807208	551404589	/nfs/dbraw/zinc/40/45/89/551404589.db2.gz	CTSABPGZCVBYII-YQQAZPJKSA-N	1	0	352.456	1.243	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1CCC(NC(=O)c2ccccc2)CC1	ZINC000584095004	551446028	/nfs/dbraw/zinc/44/60/28/551446028.db2.gz	WIISLRAVFKFQAT-MOPGFXCFSA-N	1	0	371.481	1.731	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccc(C#N)cc1	ZINC000584460281	551500631	/nfs/dbraw/zinc/50/06/31/551500631.db2.gz	VIWCWQASGSEGAX-YJBOKZPZSA-N	1	0	368.481	1.926	20	30		FDEDRO
N#Cc1cccc(OCCCCC(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c1	ZINC000585682778	551581378	/nfs/dbraw/zinc/58/13/78/551581378.db2.gz	PZTVZWUUEXCSIL-GOSISDBHSA-N	1	0	356.470	1.613	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1)c1cccc(C#N)c1	ZINC000585692994	551582752	/nfs/dbraw/zinc/58/27/52/551582752.db2.gz	IIVOYXAOKJHQNO-MRXNPFEDSA-N	1	0	356.470	1.974	20	30		FDEDRO
N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@](O)(C(=O)N3CCCC3)C2)c1	ZINC000585803900	551607870	/nfs/dbraw/zinc/60/78/70/551607870.db2.gz	KZEAURWCDPXALI-FQEVSTJZSA-N	1	0	370.453	1.336	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1	ZINC000586778615	551618874	/nfs/dbraw/zinc/61/88/74/551618874.db2.gz	CLXOWIFRCLXIJK-INMHGKMJSA-N	1	0	372.387	1.985	20	30		FDEDRO
CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCc1ccc(C#N)cc1F	ZINC000586858510	551626209	/nfs/dbraw/zinc/62/62/09/551626209.db2.gz	AFAKAYOKIGIVFW-INIZCTEOSA-N	1	0	360.433	1.694	20	30		FDEDRO
C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCc2ccc(C#N)cc2F)C1	ZINC000586860381	551626762	/nfs/dbraw/zinc/62/67/62/551626762.db2.gz	CSIMGFPAVHJXLN-RDJZCZTQSA-N	1	0	358.417	1.256	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c(F)c1	ZINC000586860418	551626981	/nfs/dbraw/zinc/62/69/81/551626981.db2.gz	FIXHQDQWROZZPN-OAHLLOKOSA-N	1	0	358.417	1.258	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)c1cccc(C#N)c1	ZINC000587730907	551635121	/nfs/dbraw/zinc/63/51/21/551635121.db2.gz	OENMRTARQZSHFP-RHSMWYFYSA-N	1	0	356.470	1.972	20	30		FDEDRO
C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(C#N)c(Cl)c2)[C@H](C)C1	ZINC000588672838	551674716	/nfs/dbraw/zinc/67/47/16/551674716.db2.gz	LGGWUKHCWQAZND-CHWSQXEVSA-N	1	0	350.850	1.808	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)n(CCC#N)n1	ZINC000588728277	551680295	/nfs/dbraw/zinc/68/02/95/551680295.db2.gz	XMTCAYHFXUHEOS-CABCVRRESA-N	1	0	358.446	1.129	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)cc2C1=O	ZINC000589143818	551712878	/nfs/dbraw/zinc/71/28/78/551712878.db2.gz	PGIIKKADHHFCDH-OAHLLOKOSA-N	1	0	353.422	1.779	20	30		FDEDRO
N#Cc1cccc(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)n1	ZINC000589393579	551727001	/nfs/dbraw/zinc/72/70/01/551727001.db2.gz	PXBKENWSSDWCOL-UHFFFAOYSA-N	1	0	350.422	1.840	20	30		FDEDRO
C[C@H](NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)C1CC[NH+](C)CC1	ZINC000589886958	551749436	/nfs/dbraw/zinc/74/94/36/551749436.db2.gz	VDMQESVPICVWIJ-YOEHRIQHSA-N	1	0	357.458	1.846	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)[C@@H]2C1	ZINC000589930316	551752590	/nfs/dbraw/zinc/75/25/90/551752590.db2.gz	VYCWWAGFLMHSOJ-BXUZGUMPSA-N	1	0	370.272	1.645	20	30		FDEDRO
C=CCNC(=O)CN1CCN(C(=O)[C@@H](c2ccccc2)[NH+](CC)CC)CC1	ZINC000591067643	551841055	/nfs/dbraw/zinc/84/10/55/551841055.db2.gz	ZFYWVADWCMXEAN-HXUWFJFHSA-N	1	0	372.513	1.516	20	30		FDEDRO
N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCC[NH2+]C3CC3)cn2)c1	ZINC000591294743	551857419	/nfs/dbraw/zinc/85/74/19/551857419.db2.gz	RLJWNXLZIYMFCO-UHFFFAOYSA-N	1	0	365.393	1.552	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1	ZINC000591298622	551857977	/nfs/dbraw/zinc/85/79/77/551857977.db2.gz	FXMJBZXBVMDVOZ-JKSUJKDBSA-N	1	0	365.441	1.957	20	30		FDEDRO
CC1([NH3+])CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1	ZINC000591302704	551858640	/nfs/dbraw/zinc/85/86/40/551858640.db2.gz	TYIYGEAYFVUGDQ-UHFFFAOYSA-N	1	0	370.331	1.735	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1C#N	ZINC000591305163	551859552	/nfs/dbraw/zinc/85/95/52/551859552.db2.gz	WTHJJRIOVOSIOH-CZUORRHYSA-N	1	0	356.426	1.494	20	30		FDEDRO
N#CCCSc1ccccc1NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1	ZINC000591305086	551859712	/nfs/dbraw/zinc/85/97/12/551859712.db2.gz	UFDGFVXTPXHLFG-ZFWWWQNUSA-N	1	0	358.467	1.841	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccc1F	ZINC000591308389	551860054	/nfs/dbraw/zinc/86/00/54/551860054.db2.gz	NDBSIWQZANVJDL-KGLIPLIRSA-N	1	0	358.417	1.874	20	30		FDEDRO
CC1(CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC[NH2+]CC1	ZINC000591350532	551865056	/nfs/dbraw/zinc/86/50/56/551865056.db2.gz	JIUALEXUWYMLAN-UHFFFAOYSA-N	1	0	356.474	1.611	20	30		FDEDRO
C[C@H](NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)c1cccc(C#N)c1	ZINC000591354519	551865210	/nfs/dbraw/zinc/86/52/10/551865210.db2.gz	NSHHJAUETAUXQW-YJBOKZPZSA-N	1	0	369.469	1.473	20	30		FDEDRO
N#Cc1cccnc1OC1CCC(NC(=O)NCC2CC[NH2+]CC2)CC1	ZINC000591356974	551865741	/nfs/dbraw/zinc/86/57/41/551865741.db2.gz	QGMSYJWZMWTSFO-UHFFFAOYSA-N	1	0	357.458	1.942	20	30		FDEDRO
C[C@@H]([NH3+])[C@H]1CN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CCO1	ZINC000591356216	551865751	/nfs/dbraw/zinc/86/57/51/551865751.db2.gz	SOHHCZBIMIDEEH-LHUBUQBQSA-N	1	0	373.457	1.401	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)CC1	ZINC000591359182	551865921	/nfs/dbraw/zinc/86/59/21/551865921.db2.gz	RLJPEDYSYKJWOD-CYBMUJFWSA-N	1	0	358.446	1.255	20	30		FDEDRO
C[C@H](CCCC[NH3+])NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000591361538	551866486	/nfs/dbraw/zinc/86/64/86/551866486.db2.gz	ZOCDGESIOULUBK-CYBMUJFWSA-N	1	0	360.462	1.773	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(C#N)c2Br)C1	ZINC000591413425	551868780	/nfs/dbraw/zinc/86/87/80/551868780.db2.gz	DCNMBLCBAUIWTF-LLVKDONJSA-N	1	0	365.231	1.470	20	30		FDEDRO
CC(C)(CNC(=O)N1CC[C@@](O)(CC#N)C1)[N@@H+]1CCc2ccccc2C1	ZINC000591914777	551916304	/nfs/dbraw/zinc/91/63/04/551916304.db2.gz	IZVXXXYNDWUXOZ-FQEVSTJZSA-N	1	0	356.470	1.883	20	30		FDEDRO
N#CC[C@]1(O)CC[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1	ZINC000592154912	551951082	/nfs/dbraw/zinc/95/10/82/551951082.db2.gz	WAZIHYRZVOWNSH-HIFRSBDPSA-N	1	0	373.222	1.678	20	30		FDEDRO
N#CCc1ccc(CNC(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1	ZINC000592217603	551961902	/nfs/dbraw/zinc/96/19/02/551961902.db2.gz	NFBVUKCWOGBDOG-QGZVFWFLSA-N	1	0	353.430	1.350	20	30		FDEDRO
C[N@@H+]1C[C@@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2)[C@H](c2ccccc2)C1	ZINC000592307505	551977006	/nfs/dbraw/zinc/97/70/06/551977006.db2.gz	IVWSYKBCCNUOFS-MJGOQNOKSA-N	1	0	362.433	1.958	20	30		FDEDRO
CN1Cc2ccccc2[C@H](NC(=O)C(=O)NCc2ccc(CC#N)cc2)C1	ZINC000592336466	551981486	/nfs/dbraw/zinc/98/14/86/551981486.db2.gz	BMLIZNOGKHNWBH-LJQANCHMSA-N	1	0	362.433	1.672	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CCO1	ZINC000592373840	551985702	/nfs/dbraw/zinc/98/57/02/551985702.db2.gz	DVPVFKQMXUOAHP-TVQRCGJNSA-N	1	0	363.361	1.314	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H](CO)c1cccc(Br)c1	ZINC000592431546	551994317	/nfs/dbraw/zinc/99/43/17/551994317.db2.gz	DLIPRANMFGCLTO-CABCVRRESA-N	1	0	356.264	1.278	20	30		FDEDRO
N#Cc1cnn2c1NC[C@@H](C[NH2+]CC1(CO)CC(c3ccccc3)C1)C2	ZINC000592513969	552003951	/nfs/dbraw/zinc/00/39/51/552003951.db2.gz	MLXRJAXIZLBFGT-XRTORIHISA-N	1	0	351.454	1.942	20	30		FDEDRO
COc1ccc(CN2CN(CC[NH+](C)C)C(=O)[C@H]2C)cc1OCCCC#N	ZINC000592525213	552004724	/nfs/dbraw/zinc/00/47/24/552004724.db2.gz	LVUADKWUXYQQLD-MRXNPFEDSA-N	1	0	374.485	1.930	20	30		FDEDRO
CC[C@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)C(=O)NCc1cccs1	ZINC000592525515	552004813	/nfs/dbraw/zinc/00/48/13/552004813.db2.gz	PDGXONUOWWHUDF-HNNXBMFYSA-N	1	0	354.439	1.847	20	30		FDEDRO
N#CC[C@@]1(O)CCN(C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)C1	ZINC000592842907	552034877	/nfs/dbraw/zinc/03/48/77/552034877.db2.gz	LMFQRMQJGZJYGR-HXUWFJFHSA-N	1	0	357.454	1.382	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN(C(=O)c1ccn(-c3cccc(C#N)c3)n1)CCO2	ZINC000592898966	552040626	/nfs/dbraw/zinc/04/06/26/552040626.db2.gz	PFRSYJGEDBQBIS-UHFFFAOYSA-N	1	0	365.437	1.681	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1C[C@H](C(=O)OC)[C@@H](c2ccccc2)C1	ZINC000593092377	552060785	/nfs/dbraw/zinc/06/07/85/552060785.db2.gz	LZRBLDLOJBFLFI-JQHSSLGASA-N	1	0	357.454	1.883	20	30		FDEDRO
COCC[N@@H+]1CCN(CCC(=O)Nc2sccc2C#N)C(C)(C)C1	ZINC000593101711	552062327	/nfs/dbraw/zinc/06/23/27/552062327.db2.gz	YEXHMAZRAGJVFC-UHFFFAOYSA-N	1	0	350.488	1.991	20	30		FDEDRO
N#Cc1cccc2c1CN(C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)C2	ZINC000593351486	552094838	/nfs/dbraw/zinc/09/48/38/552094838.db2.gz	YPOSQWJADXUQHE-INIZCTEOSA-N	1	0	355.442	1.171	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc4nnnn4c3)CC2)c1	ZINC000593355746	552095045	/nfs/dbraw/zinc/09/50/45/552095045.db2.gz	ZBBUTULESWYMOT-UHFFFAOYSA-N	1	0	361.409	1.390	20	30		FDEDRO
Cc1noc(CCC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1	ZINC000593356334	552095224	/nfs/dbraw/zinc/09/52/24/552095224.db2.gz	XHWXSZBXRVBYBR-UHFFFAOYSA-N	1	0	353.426	1.963	20	30		FDEDRO
N#Cc1cccc2c1CN(C(=O)NC1CC[NH+]([C@@H]3CCC[C@H]3O)CC1)C2	ZINC000593381544	552099365	/nfs/dbraw/zinc/09/93/65/552099365.db2.gz	IAVONXDXVZGUCZ-RTBURBONSA-N	1	0	354.454	1.961	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(C(=O)NCC2(C#N)CCCC2)CC1	ZINC000593432215	552107960	/nfs/dbraw/zinc/10/79/60/552107960.db2.gz	LKOHURZRXXLXGF-UHFFFAOYSA-N	1	0	366.506	1.839	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCC[C@H](CO)C3)CC2)c1	ZINC000593508533	552119389	/nfs/dbraw/zinc/11/93/89/552119389.db2.gz	HNLMSFZZXREBFC-SFHVURJKSA-N	1	0	356.470	1.937	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCn4ncnc4C3)CC2)c1	ZINC000593514672	552120546	/nfs/dbraw/zinc/12/05/46/552120546.db2.gz	YJEPXIULLZZPFS-UHFFFAOYSA-N	1	0	365.441	1.340	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC[C@@H](CC(N)=O)C3)CC2)c1	ZINC000593516922	552121125	/nfs/dbraw/zinc/12/11/25/552121125.db2.gz	QFNWAWNKXQTGDR-KRWDZBQOSA-N	1	0	369.469	1.430	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NCCC3(CO)CC3)CC2)c1	ZINC000593515593	552121249	/nfs/dbraw/zinc/12/12/49/552121249.db2.gz	KZBQLNGUDIIPAQ-UHFFFAOYSA-N	1	0	356.470	1.984	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2ccsc2C#N)CC1	ZINC000593541828	552127697	/nfs/dbraw/zinc/12/76/97/552127697.db2.gz	CFFVJCHVIXBKEU-UHFFFAOYSA-N	1	0	357.501	1.787	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)c1ccsc1C#N	ZINC000593545147	552128862	/nfs/dbraw/zinc/12/88/62/552128862.db2.gz	YCPWKBKAVMHTQF-UHFFFAOYSA-N	1	0	350.469	1.767	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C	ZINC000593551116	552131039	/nfs/dbraw/zinc/13/10/39/552131039.db2.gz	UODJUZIXFIEMME-IUODEOHRSA-N	1	0	365.455	1.306	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C	ZINC000593561191	552134657	/nfs/dbraw/zinc/13/46/57/552134657.db2.gz	YFUWYDNBLJNOLM-LBPRGKRZSA-N	1	0	367.471	1.599	20	30		FDEDRO
CC(C)[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3ccsc3C#N)C2)CC1	ZINC000593563021	552135301	/nfs/dbraw/zinc/13/53/01/552135301.db2.gz	KEOWRSSRMMIWBH-AWEZNQCLSA-N	1	0	368.528	1.409	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)NC1(C[NH+](C)C)CCC1	ZINC000593590810	552145568	/nfs/dbraw/zinc/14/55/68/552145568.db2.gz	OJQDVVCBYNNBIS-UHFFFAOYSA-N	1	0	351.428	1.107	20	30		FDEDRO
COC(=O)Cn1cc(CNC2CC[NH+](Cc3cccc(C#N)c3)CC2)nn1	ZINC000593692084	552175382	/nfs/dbraw/zinc/17/53/82/552175382.db2.gz	ZIZSOTWOKXRHFC-UHFFFAOYSA-N	1	0	368.441	1.077	20	30		FDEDRO
CC[C@H](C#N)C(=O)N(C)CCN(CC[NH+]1CCCC1)C(=O)[C@@H](C#N)CC	ZINC000593705345	552178223	/nfs/dbraw/zinc/17/82/23/552178223.db2.gz	ZCYTYGOAEDATKV-IAGOWNOFSA-N	1	0	361.490	1.469	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1C#N	ZINC000593767740	552194536	/nfs/dbraw/zinc/19/45/36/552194536.db2.gz	SZCMUNVYQWTNEN-MPGHIAIKSA-N	1	0	370.453	1.550	20	30		FDEDRO
CC(C)CN(C)C(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593934411	552229263	/nfs/dbraw/zinc/22/92/63/552229263.db2.gz	UMDSGBPLCSHRSN-UHFFFAOYSA-N	1	0	356.470	1.753	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc2c(n1)OCCO2	ZINC000593961338	552233130	/nfs/dbraw/zinc/23/31/30/552233130.db2.gz	HNKIDLXPQUYQBN-UHFFFAOYSA-N	1	0	366.421	1.928	20	30		FDEDRO
C[C@H]1COCC[N@@H+]1C1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1	ZINC000593988986	552235275	/nfs/dbraw/zinc/23/52/75/552235275.db2.gz	VOUKMTFSUIRSLI-WMLDXEAASA-N	1	0	374.510	1.910	20	30		FDEDRO
C[C@@H]1COCC[N@@H+]1C1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1	ZINC000593988985	552235307	/nfs/dbraw/zinc/23/53/07/552235307.db2.gz	VOUKMTFSUIRSLI-RHSMWYFYSA-N	1	0	374.510	1.910	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC000594285903	552278566	/nfs/dbraw/zinc/27/85/66/552278566.db2.gz	NQJLZUPYBQRNCH-CRAIPNDOSA-N	1	0	356.470	1.440	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1	ZINC000594311616	552284910	/nfs/dbraw/zinc/28/49/10/552284910.db2.gz	HUJLCMSKZBBVAD-SOUVJXGZSA-N	1	0	358.442	1.419	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1	ZINC000594318004	552286394	/nfs/dbraw/zinc/28/63/94/552286394.db2.gz	JCCKWDAUGPGBER-GASCZTMLSA-N	1	0	358.442	1.740	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1	ZINC000594335783	552290894	/nfs/dbraw/zinc/29/08/94/552290894.db2.gz	LQUGAEXPOHNGOY-KRWDZBQOSA-N	1	0	371.481	1.423	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)NCC(=O)Nc1ccc(Br)cc1	ZINC000594426385	552308071	/nfs/dbraw/zinc/30/80/71/552308071.db2.gz	CPKHCHMOAFYJSC-CYBMUJFWSA-N	1	0	367.247	1.915	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1	ZINC000594430277	552308483	/nfs/dbraw/zinc/30/84/83/552308483.db2.gz	YKIGCWBXTCGJJG-AWEZNQCLSA-N	1	0	372.878	1.146	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1	ZINC000594429008	552308666	/nfs/dbraw/zinc/30/86/66/552308666.db2.gz	QBVGGSLIJZJESJ-INIZCTEOSA-N	1	0	364.396	1.660	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1	ZINC000594429010	552308801	/nfs/dbraw/zinc/30/88/01/552308801.db2.gz	QBVGGSLIJZJESJ-MRXNPFEDSA-N	1	0	364.396	1.660	20	30		FDEDRO
COc1ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc1-n1nnnc1C1CC1	ZINC000594432462	552309107	/nfs/dbraw/zinc/30/91/07/552309107.db2.gz	AQBOXPQKDQRYRD-CQSZACIVSA-N	1	0	369.429	1.898	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)NCc1cccc(C(=O)Nc2ccncc2)c1	ZINC000594436263	552309906	/nfs/dbraw/zinc/30/99/06/552309906.db2.gz	CJIQIORKGFCVAQ-SFHVURJKSA-N	1	0	365.437	1.783	20	30		FDEDRO
COC(=O)c1ccc(N2CCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H](C)C2)cc1	ZINC000594436940	552310002	/nfs/dbraw/zinc/31/00/02/552310002.db2.gz	RFNRFRFPNYBAMH-QAPCUYQASA-N	1	0	372.469	1.922	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1	ZINC000594439399	552310252	/nfs/dbraw/zinc/31/02/52/552310252.db2.gz	VIPWLXNZMQMZRA-OALUTQOASA-N	1	0	358.486	1.457	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC2)c1C#N	ZINC000594524068	552327484	/nfs/dbraw/zinc/32/74/84/552327484.db2.gz	HUIJXCFNVZTWMZ-JTQLQIEISA-N	1	0	362.381	1.044	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(C#N)cc1	ZINC000594618630	552341531	/nfs/dbraw/zinc/34/15/31/552341531.db2.gz	FJXCFLXOUSDEEH-JCGIZDLHSA-N	1	0	354.454	1.869	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)N[C@@]3(CCC[NH2+]C3)C2=O)c(C(F)(F)F)c1	ZINC000594695873	552356622	/nfs/dbraw/zinc/35/66/22/552356622.db2.gz	KLAKVFIFZHFNBQ-OAHLLOKOSA-N	1	0	352.316	1.751	20	30		FDEDRO
CC(=O)NCc1ccc(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)cc1	ZINC000594717973	552363034	/nfs/dbraw/zinc/36/30/34/552363034.db2.gz	JGEQJECFQQXKNX-LJQANCHMSA-N	1	0	353.422	1.724	20	30		FDEDRO
CC(C)(CC#N)CS(=O)(=O)NCC1CC[NH+](C2CCOCC2)CC1	ZINC000594802312	552390444	/nfs/dbraw/zinc/39/04/44/552390444.db2.gz	NDUHUDWTQKGODM-UHFFFAOYSA-N	1	0	357.520	1.737	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NCC1CC[NH+](Cc2ccncc2)CC1	ZINC000594832519	552401821	/nfs/dbraw/zinc/40/18/21/552401821.db2.gz	ZGKAQODIXVIMDS-HNNXBMFYSA-N	1	0	365.503	1.362	20	30		FDEDRO
Cn1cc(C[NH2+]C[C@@]2(OCCO)CCOC2)c(-c2ccc(C#N)cc2)n1	ZINC000594975289	552429916	/nfs/dbraw/zinc/42/99/16/552429916.db2.gz	PWNHATHRFGRGCU-IBGZPJMESA-N	1	0	356.426	1.216	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1	ZINC000595074426	552445355	/nfs/dbraw/zinc/44/53/55/552445355.db2.gz	RRSMWZWGWWCEBJ-CQSZACIVSA-N	1	0	358.442	1.742	20	30		FDEDRO
C[C@H](CCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)[NH+](C)C	ZINC000595126201	552459408	/nfs/dbraw/zinc/45/94/08/552459408.db2.gz	VRUHUJMDTUJIPX-SNVBAGLBSA-N	1	0	367.247	1.716	20	30		FDEDRO
CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)N3CC[C@@](C)(C#N)C3)C2)CC1	ZINC000595145703	552466971	/nfs/dbraw/zinc/46/69/71/552466971.db2.gz	DRLXAYDDKFFCCS-XLIONFOSSA-N	1	0	360.502	1.719	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c(F)c1	ZINC000595197639	552486911	/nfs/dbraw/zinc/48/69/11/552486911.db2.gz	VCZJLJJZWKRYFQ-CQSZACIVSA-N	1	0	360.389	1.005	20	30		FDEDRO
CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CC[C@@](C)(C#N)C2)CC1	ZINC000595206605	552490346	/nfs/dbraw/zinc/49/03/46/552490346.db2.gz	BKIZEOIIBZDNAV-SFHVURJKSA-N	1	0	358.446	1.241	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)cc1F	ZINC000595229529	552498664	/nfs/dbraw/zinc/49/86/64/552498664.db2.gz	LFZJZTBPFPAASM-UHFFFAOYSA-N	1	0	358.417	1.874	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000595237009	552501520	/nfs/dbraw/zinc/50/15/20/552501520.db2.gz	VBKXXNRKKFATBC-INIZCTEOSA-N	1	0	358.442	1.374	20	30		FDEDRO
N#Cc1sccc1N1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1	ZINC000595257792	552506310	/nfs/dbraw/zinc/50/63/10/552506310.db2.gz	WWNCDCPAFKTVMH-UHFFFAOYSA-N	1	0	371.470	1.098	20	30		FDEDRO
N#C[C@H]1CN(C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)CCO1	ZINC000595269580	552509298	/nfs/dbraw/zinc/50/92/98/552509298.db2.gz	DZNFVWQRETWOSV-XEZPLFJOSA-N	1	0	350.369	1.344	20	30		FDEDRO
C[NH2+]CCCC(=O)N1CCC(NC(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000595276307	552510483	/nfs/dbraw/zinc/51/04/83/552510483.db2.gz	XYBGLQHPPPYYHB-UHFFFAOYSA-N	1	0	371.485	1.391	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1	ZINC000595282831	552511641	/nfs/dbraw/zinc/51/16/41/552511641.db2.gz	FZROZQZPZJZQEZ-JKSUJKDBSA-N	1	0	365.474	1.504	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCCC[C@H]1C[NH+](C)C	ZINC000595346954	552532548	/nfs/dbraw/zinc/53/25/48/552532548.db2.gz	ZCAVQIFLOICYGH-AWEZNQCLSA-N	1	0	365.455	1.450	20	30		FDEDRO
COCC[N@H+](C)CCNC(=O)N1CCN(c2ccsc2C#N)CC1	ZINC000595492902	552571724	/nfs/dbraw/zinc/57/17/24/552571724.db2.gz	YXEIMBRYOFGQPT-UHFFFAOYSA-N	1	0	351.476	1.030	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[NH2+]C1(CC(=O)OC(C)(C)C)CCOCC1	ZINC000595541246	552580935	/nfs/dbraw/zinc/58/09/35/552580935.db2.gz	VGTZZIPZBGICBP-OAHLLOKOSA-N	1	0	367.490	1.865	20	30		FDEDRO
COC[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C1CCOCC1	ZINC000595615918	552592942	/nfs/dbraw/zinc/59/29/42/552592942.db2.gz	NYQYOIBCBVYILP-KRWDZBQOSA-N	1	0	352.456	1.363	20	30		FDEDRO
CS(=O)(=O)N1CC[C@@H](C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)C1	ZINC000595767545	552613102	/nfs/dbraw/zinc/61/31/02/552613102.db2.gz	DLALEHFXDATZLK-INIZCTEOSA-N	1	0	363.483	1.435	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@H]1C[C@H](O)C12CCC2	ZINC000595779332	552613977	/nfs/dbraw/zinc/61/39/77/552613977.db2.gz	CQDMRPSRVLXYPS-HOTGVXAUSA-N	1	0	351.410	1.576	20	30		FDEDRO
C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCN(c2cnccc2C#N)CC1	ZINC000595788185	552615201	/nfs/dbraw/zinc/61/52/01/552615201.db2.gz	QSTAIIXLNUPLMH-QGZVFWFLSA-N	1	0	370.501	1.905	20	30		FDEDRO
C=C[C@H](CO)[NH2+][C@@H](C)C(=O)Nc1cccc(I)c1	ZINC000595863247	552625128	/nfs/dbraw/zinc/62/51/28/552625128.db2.gz	ALVMONVGDREMLK-GXSJLCMTSA-N	1	0	360.195	1.755	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](N3CCC([N@@H+]4CC[C@H](O)C4)CC3)C2=O)cc1	ZINC000595862834	552625216	/nfs/dbraw/zinc/62/52/16/552625216.db2.gz	HNPRMCMPDJNYPJ-OALUTQOASA-N	1	0	354.454	1.195	20	30		FDEDRO
N#Cc1sccc1N1CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1	ZINC000595904375	552631251	/nfs/dbraw/zinc/63/12/51/552631251.db2.gz	XFQMKBALCUMYCH-WMZOPIPTSA-N	1	0	356.495	1.673	20	30		FDEDRO
N#CC1(C(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CCCC1	ZINC000595986700	552641473	/nfs/dbraw/zinc/64/14/73/552641473.db2.gz	REECGPQMYHZVHZ-OAHLLOKOSA-N	1	0	356.474	1.609	20	30		FDEDRO
Cc1nn(CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c(N)c1C#N	ZINC000596260304	552669221	/nfs/dbraw/zinc/66/92/21/552669221.db2.gz	IOJYNVDZCFJRHJ-UHFFFAOYSA-N	1	0	366.469	1.735	20	30		FDEDRO
N#CCN1CCC(NC(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CC1	ZINC000596275860	552670392	/nfs/dbraw/zinc/67/03/92/552670392.db2.gz	YGYQVTQALSJYIX-LJQANCHMSA-N	1	0	371.485	1.040	20	30		FDEDRO
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@H](CCC#N)c1ccccc1	ZINC000596504933	552684533	/nfs/dbraw/zinc/68/45/33/552684533.db2.gz	QVPXLPOBYYRKCY-QGZVFWFLSA-N	1	0	359.474	1.693	20	30		FDEDRO
CCN(C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CC[N@H+](C)C1	ZINC000596551012	552688420	/nfs/dbraw/zinc/68/84/20/552688420.db2.gz	JUFIZVPNSBRMNH-ZWKOTPCHSA-N	1	0	369.469	1.789	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1	ZINC000597026622	552736633	/nfs/dbraw/zinc/73/66/33/552736633.db2.gz	PPRQGLJZNTXMIF-LJQANCHMSA-N	1	0	352.482	1.980	20	30		FDEDRO
C[NH+]1CCN(C[C@@H](NC(=O)CC2(C#N)CCOCC2)c2ccccc2)CC1	ZINC000597115968	552748929	/nfs/dbraw/zinc/74/89/29/552748929.db2.gz	AMQPFRUPKQVNDL-LJQANCHMSA-N	1	0	370.497	1.802	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CN2CC[C@H](c3ccccc3)NC2=O)CC1	ZINC000597168142	552756645	/nfs/dbraw/zinc/75/66/45/552756645.db2.gz	YBJLBFXBQFRZJQ-MRXNPFEDSA-N	1	0	355.442	1.247	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)c1cccc(C#N)c1	ZINC000597254867	552765695	/nfs/dbraw/zinc/76/56/95/552765695.db2.gz	NGYIIFKGOCJWGE-MAUKXSAKSA-N	1	0	372.469	1.305	20	30		FDEDRO
N#Cc1c(F)cccc1N1CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1	ZINC000597439355	552789457	/nfs/dbraw/zinc/78/94/57/552789457.db2.gz	HXWLGJGURVEXID-QGZVFWFLSA-N	1	0	357.433	1.671	20	30		FDEDRO
N#CC1(NC(=O)[C@H]2CCCc3nn[nH]c32)CC[NH+](Cc2ccccc2)CC1	ZINC000597477322	552793802	/nfs/dbraw/zinc/79/38/02/552793802.db2.gz	RKJMBDZWFOCDNN-INIZCTEOSA-N	1	0	364.453	1.899	20	30		FDEDRO
CN1CC[NH+](CCC(C)(C)NC(=O)c2cc(F)c(C#N)c(F)c2)CC1	ZINC000597524349	552799649	/nfs/dbraw/zinc/79/96/49/552799649.db2.gz	QXIAJHBSEQBVSW-UHFFFAOYSA-N	1	0	350.413	1.982	20	30		FDEDRO
C[C@@H](CC#N)C(=O)N(C)CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O	ZINC000597658852	552818830	/nfs/dbraw/zinc/81/88/30/552818830.db2.gz	ZHCJBUAIVQNJBI-AWEZNQCLSA-N	1	0	356.426	1.223	20	30		FDEDRO
CC(C)C[C@H](NC(=O)c1ccnc(C#N)c1)C(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000597692540	552822562	/nfs/dbraw/zinc/82/25/62/552822562.db2.gz	PSWFIYSTFSZXOK-SJORKVTESA-N	1	0	357.458	1.260	20	30		FDEDRO
CC(C)C[C@H](NC(=O)c1cc(O)cc(C#N)c1)C(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000597692939	552822969	/nfs/dbraw/zinc/82/29/69/552822969.db2.gz	RFBACPYUMCJOON-AEFFLSMTSA-N	1	0	372.469	1.571	20	30		FDEDRO
N#CC1(CC(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)CCOCC1	ZINC000597778289	552831807	/nfs/dbraw/zinc/83/18/07/552831807.db2.gz	PJHVCKZBOQFOJI-UHFFFAOYSA-N	1	0	371.481	1.840	20	30		FDEDRO
C[C@H](CCNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[NH+](C)C	ZINC000597992007	552853526	/nfs/dbraw/zinc/85/35/26/552853526.db2.gz	IIEBRSYGTTYMOQ-CZUORRHYSA-N	1	0	371.441	1.220	20	30		FDEDRO
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc2ccccc2n1CC#N	ZINC000598187657	552873979	/nfs/dbraw/zinc/87/39/79/552873979.db2.gz	RCECNPPDWGOBIC-UHFFFAOYSA-N	1	0	355.442	1.257	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CCO1	ZINC000598540555	552907470	/nfs/dbraw/zinc/90/74/70/552907470.db2.gz	PNMMLXVENMAFHB-RBUKOAKNSA-N	1	0	354.454	1.810	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CCO1	ZINC000598540866	552907563	/nfs/dbraw/zinc/90/75/63/552907563.db2.gz	RHXPYUUABXYQSA-SFHVURJKSA-N	1	0	367.453	1.927	20	30		FDEDRO
CC(=O)N1CC[C@@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000598655583	552920731	/nfs/dbraw/zinc/92/07/31/552920731.db2.gz	VQCRGRDIXZMKDD-LJQANCHMSA-N	1	0	369.469	1.443	20	30		FDEDRO
CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)cc1	ZINC000598719407	552928066	/nfs/dbraw/zinc/92/80/66/552928066.db2.gz	HWJRKITVEANFIL-QGZVFWFLSA-N	1	0	367.515	1.905	20	30		FDEDRO
CN1CC[NH+](CCCCNC(=O)N2CCc3c(CC#N)cccc3C2)CC1	ZINC000598964765	552952027	/nfs/dbraw/zinc/95/20/27/552952027.db2.gz	RFNZYCABQQPTMK-UHFFFAOYSA-N	1	0	369.513	1.848	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cn2c(n1)COCC2	ZINC000599203777	552984765	/nfs/dbraw/zinc/98/47/65/552984765.db2.gz	VTCMGOVEECKILA-UHFFFAOYSA-N	1	0	353.426	1.489	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)N[C@@H]3CO[C@H](C4CC4)C3)CC2)cc1	ZINC000599222052	552991712	/nfs/dbraw/zinc/99/17/12/552991712.db2.gz	QUFQGXSUPXRLOK-OALUTQOASA-N	1	0	354.454	1.953	20	30		FDEDRO
CC(C)C(=O)NC[C@H]1CCC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000599280232	553013980	/nfs/dbraw/zinc/01/39/80/553013980.db2.gz	ZPAIHITVMHHKKD-IAGOWNOFSA-N	1	0	351.491	1.542	20	30		FDEDRO
COC(=O)[C@H]1CC12CC[NH+](CC#CCN1C(=O)c3ccccc3C1=O)CC2	ZINC000599293936	553018404	/nfs/dbraw/zinc/01/84/04/553018404.db2.gz	CFGCWBQPBGEMCC-QGZVFWFLSA-N	1	0	366.417	1.561	20	30		FDEDRO
COC(=O)C[C@@H]1CSCC[N@@H+]1C[C@@H](O)COc1ccccc1C#N	ZINC000599308880	553022215	/nfs/dbraw/zinc/02/22/15/553022215.db2.gz	CIOJSGPZXSIKMV-HUUCEWRRSA-N	1	0	350.440	1.278	20	30		FDEDRO
Cn1cc([C@H]([NH2+]C[C@H](O)COc2ccccc2C#N)C2(CO)CCC2)cn1	ZINC000599428441	553054650	/nfs/dbraw/zinc/05/46/50/553054650.db2.gz	KCRIHLPEUKRDEN-HKUYNNGSSA-N	1	0	370.453	1.525	20	30		FDEDRO
CC(C)(C[C@H]1CCC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1)C(N)=O	ZINC000599432690	553055378	/nfs/dbraw/zinc/05/53/78/553055378.db2.gz	ZQAOVFWKCJGOSQ-CVEARBPZSA-N	1	0	351.491	1.671	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)CCOCC1	ZINC000599432273	553055489	/nfs/dbraw/zinc/05/54/89/553055489.db2.gz	OBLWRXQHPSZAEL-NSHGMRRFSA-N	1	0	362.445	1.858	20	30		FDEDRO
N#CCCN(C(=O)CN1CCC([NH+]2CCOCC2)CC1)c1ccccc1	ZINC000599474297	553068148	/nfs/dbraw/zinc/06/81/48/553068148.db2.gz	NLEXSSRFVGEKHE-UHFFFAOYSA-N	1	0	356.470	1.730	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@]2(CO)CCCC(C)(C)C2)CC1	ZINC000599597901	553099123	/nfs/dbraw/zinc/09/91/23/553099123.db2.gz	ZRILUPKMXMORRP-XLIONFOSSA-N	1	0	364.534	1.600	20	30		FDEDRO
CN1C2(CCC2)COC[C@]1(CO)CNC(=O)Nc1ccc(C#N)c(F)c1	ZINC000599788727	553147909	/nfs/dbraw/zinc/14/79/09/553147909.db2.gz	UBEMLNDZKABABR-GOSISDBHSA-N	1	0	362.405	1.435	20	30		FDEDRO
C[NH2+]CCOCCN(C)C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000599893857	553169792	/nfs/dbraw/zinc/16/97/92/553169792.db2.gz	IWUZSMNWIDJUOY-UHFFFAOYSA-N	1	0	372.347	1.210	20	30		FDEDRO
CC(C)(C)c1csc(NC(=O)C(=O)NCC2([NH3+])CCOCC2)c1C#N	ZINC000599898560	553170653	/nfs/dbraw/zinc/17/06/53/553170653.db2.gz	HWZKORTYPUNJEI-UHFFFAOYSA-N	1	0	364.471	1.480	20	30		FDEDRO
C[NH2+]CCOCCNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000599919483	553174250	/nfs/dbraw/zinc/17/42/50/553174250.db2.gz	DJMWAEJFIOJQHS-UHFFFAOYSA-N	1	0	361.446	1.178	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(F)cc1C#N	ZINC000599936707	553177901	/nfs/dbraw/zinc/17/79/01/553177901.db2.gz	AEULPGYNSFRBMO-ZFWWWQNUSA-N	1	0	360.389	1.387	20	30		FDEDRO
CC[NH+]1CCC(CNC(=O)C(=O)Nc2cc(OC)c(C#N)cc2F)CC1	ZINC000599946639	553181588	/nfs/dbraw/zinc/18/15/88/553181588.db2.gz	LOKIWQAZDGITIX-UHFFFAOYSA-N	1	0	362.405	1.493	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)c(F)cc1C#N	ZINC000599946771	553181628	/nfs/dbraw/zinc/18/16/28/553181628.db2.gz	XDCAXXAFNZKBQS-UHFFFAOYSA-N	1	0	362.405	1.445	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2	ZINC000599959124	553185748	/nfs/dbraw/zinc/18/57/48/553185748.db2.gz	OBDMTVBGLHKXMP-KRWDZBQOSA-N	1	0	352.438	1.474	20	30		FDEDRO
CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000599966418	553188267	/nfs/dbraw/zinc/18/82/67/553188267.db2.gz	ZBJGAMBILCMWQJ-ZWKOTPCHSA-N	1	0	370.453	1.185	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(F)cc1C#N	ZINC000599971508	553189476	/nfs/dbraw/zinc/18/94/76/553189476.db2.gz	CHVFFFTYTMNBCL-AAEUAGOBSA-N	1	0	362.405	1.586	20	30		FDEDRO
C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)C[C@H]21	ZINC000599999975	553197385	/nfs/dbraw/zinc/19/73/85/553197385.db2.gz	IJLOEVUGTSYDCX-FVQHAEBGSA-N	1	0	361.467	1.396	20	30		FDEDRO
C[N@@H+]1CCCC[C@H](CNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000600031134	553205083	/nfs/dbraw/zinc/20/50/83/553205083.db2.gz	KGROSOIUMJPOBW-CQSZACIVSA-N	1	0	359.474	1.901	20	30		FDEDRO
COC(=O)[C@@]1(OC)CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1	ZINC000600191068	553229017	/nfs/dbraw/zinc/22/90/17/553229017.db2.gz	IIOJGGTVDPIHJX-LJQANCHMSA-N	1	0	369.425	1.623	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1	ZINC000600574639	553285560	/nfs/dbraw/zinc/28/55/60/553285560.db2.gz	ZLKWAEDWMRVEFF-INIZCTEOSA-N	1	0	363.483	1.460	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]CCCC(=O)N2Cc3ccccc3C2)CCOCC1	ZINC000600725340	553307483	/nfs/dbraw/zinc/30/74/83/553307483.db2.gz	JBLWYKVUSQZZSR-IBGZPJMESA-N	1	0	371.481	1.970	20	30		FDEDRO
Cc1ccc(CN2CC[C@@H]([NH2+]C[C@@H](O)CC3(C#N)CCOCC3)C2=O)cc1	ZINC000600733663	553308804	/nfs/dbraw/zinc/30/88/04/553308804.db2.gz	LKABZYSQHYCUSH-RBUKOAKNSA-N	1	0	371.481	1.757	20	30		FDEDRO
Cc1ccc(CN2CC[C@H]([NH2+]C[C@@H](O)CC3(C#N)CCOCC3)C2=O)cc1	ZINC000600733662	553308866	/nfs/dbraw/zinc/30/88/66/553308866.db2.gz	LKABZYSQHYCUSH-OALUTQOASA-N	1	0	371.481	1.757	20	30		FDEDRO
COC(=O)c1ccsc1N1CC[C@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)C1=O	ZINC000600731650	553308877	/nfs/dbraw/zinc/30/88/77/553308877.db2.gz	XMXJAAJOZCRASG-AAEUAGOBSA-N	1	0	363.439	1.284	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000600737116	553309145	/nfs/dbraw/zinc/30/91/45/553309145.db2.gz	TZYVTDXCCADEIH-ZDUSSCGKSA-N	1	0	353.400	1.013	20	30		FDEDRO
C[C@@H]1[C@H]([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CC(=O)N1Cc1ccccc1	ZINC000600737909	553309227	/nfs/dbraw/zinc/30/92/27/553309227.db2.gz	XEAKFSQDUFLTIL-NZSAHSFTSA-N	1	0	371.481	1.837	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCc1cnc2c(Cl)cnn2c1	ZINC000600738081	553309387	/nfs/dbraw/zinc/30/93/87/553309387.db2.gz	HAVMCGWOVQRRFT-HNNXBMFYSA-N	1	0	371.828	1.826	20	30		FDEDRO
CS(=O)(=O)C1(C[NH2+]C[C@@H](O)COc2ccccc2C#N)CCCC1	ZINC000600739865	553309663	/nfs/dbraw/zinc/30/96/63/553309663.db2.gz	GFFSSOXYSHRWDF-OAHLLOKOSA-N	1	0	352.456	1.245	20	30		FDEDRO
Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@H](O)COc1ccc(C#N)cc1	ZINC000600747536	553310641	/nfs/dbraw/zinc/31/06/41/553310641.db2.gz	POPBBCZJCUTWDL-LBPRGKRZSA-N	1	0	354.332	1.840	20	30		FDEDRO
N#Cc1ccc(-n2cc(CCN3CC[NH2+]CC3)nn2)cc1C(F)(F)F	ZINC000600970336	553333229	/nfs/dbraw/zinc/33/32/29/553333229.db2.gz	UWAONBXJZOACLW-UHFFFAOYSA-N	1	0	350.348	1.605	20	30		FDEDRO
C[NH+]1CCN(C[C@@H](O)COc2cc(C#N)ccc2Br)CC1	ZINC000601070733	553345361	/nfs/dbraw/zinc/34/53/61/553345361.db2.gz	SWPDKLXJWSNKLR-CYBMUJFWSA-N	1	0	354.248	1.308	20	30		FDEDRO
N#Cc1cnc(N2CCC(O)(C[NH+]3CCOCC3)CC2)c2sccc21	ZINC000601139752	553351832	/nfs/dbraw/zinc/35/18/32/553351832.db2.gz	JBPNLNXJRXVIJA-UHFFFAOYSA-N	1	0	358.467	1.831	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1	ZINC000601451408	553409003	/nfs/dbraw/zinc/40/90/03/553409003.db2.gz	BHKKGBYTBOBFEC-KRWDZBQOSA-N	1	0	364.534	1.333	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N1CCC(C)([NH+]2CCCC2)CC1	ZINC000601497207	553421072	/nfs/dbraw/zinc/42/10/72/553421072.db2.gz	PZLFEKSGOMURQC-UHFFFAOYSA-N	1	0	358.508	1.044	20	30		FDEDRO
CN(C(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[C@@H]1CCC[C@@H]1C#N	ZINC000601573891	553438124	/nfs/dbraw/zinc/43/81/24/553438124.db2.gz	GLXZGHLTAYKJBT-OIISXLGYSA-N	1	0	356.426	1.437	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1	ZINC000601581956	553439775	/nfs/dbraw/zinc/43/97/75/553439775.db2.gz	MQBOALYWLSNCLT-GOSISDBHSA-N	1	0	354.454	1.803	20	30		FDEDRO
C[NH+](C)CCn1cc(C(=O)N2CCN(c3ccsc3C#N)CC2)cn1	ZINC000601664618	553455150	/nfs/dbraw/zinc/45/51/50/553455150.db2.gz	ARHHCXWHVMLBOW-UHFFFAOYSA-N	1	0	358.471	1.340	20	30		FDEDRO
CC[NH+](CC)CCSCC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N	ZINC000601739074	553466615	/nfs/dbraw/zinc/46/66/15/553466615.db2.gz	FQNZHPHNMBCOAB-UHFFFAOYSA-N	1	0	366.491	1.131	20	30		FDEDRO
CC(C)(C[NH+]1CCOCC1)C(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000602138651	553526390	/nfs/dbraw/zinc/52/63/90/553526390.db2.gz	WKRXECKJRZRCTI-UHFFFAOYSA-N	1	0	354.414	1.436	20	30		FDEDRO
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC(C#N)(c2ccccn2)CC1	ZINC000602150188	553529267	/nfs/dbraw/zinc/52/92/67/553529267.db2.gz	LBLPOAFLSSCUPJ-UHFFFAOYSA-N	1	0	356.470	1.824	20	30		FDEDRO
N#CCCN1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1	ZINC000602207717	553540303	/nfs/dbraw/zinc/54/03/03/553540303.db2.gz	KZMWCJVHSYPILK-UHFFFAOYSA-N	1	0	355.486	1.257	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@](C)(C(=O)OCC)C2)CC1	ZINC000602249132	553548422	/nfs/dbraw/zinc/54/84/22/553548422.db2.gz	ZERVQTSYBYBSAV-SFHVURJKSA-N	1	0	353.463	1.391	20	30		FDEDRO
N#Cc1ccc(CC(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)cn1	ZINC000602512350	553596391	/nfs/dbraw/zinc/59/63/91/553596391.db2.gz	XUUUVCKSVDGVKP-UHFFFAOYSA-N	1	0	365.437	1.418	20	30		FDEDRO
CC[NH2+][C@H](C)C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000602525097	553598719	/nfs/dbraw/zinc/59/87/19/553598719.db2.gz	MKRSUWSNMHYYSI-CQSZACIVSA-N	1	0	352.442	1.595	20	30		FDEDRO
N#CC1(C(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC2(CC2)C1	ZINC000602528237	553599236	/nfs/dbraw/zinc/59/92/36/553599236.db2.gz	NXKYWSVHTCJABV-OAHLLOKOSA-N	1	0	368.485	1.609	20	30		FDEDRO
CC(C)(C)NS(=O)(=O)C1(C[NH2+]CCOc2ccc(C#N)cc2)CC1	ZINC000602558388	553605521	/nfs/dbraw/zinc/60/55/21/553605521.db2.gz	PRXNGCAXGMJGJI-UHFFFAOYSA-N	1	0	351.472	1.777	20	30		FDEDRO
N#CCc1cccc2c1CCN(C(=O)c1cn([C@@H]3CCC[NH2+]CC3)nn1)C2	ZINC000602574073	553607093	/nfs/dbraw/zinc/60/70/93/553607093.db2.gz	QOLSIZLJYIMVIV-QGZVFWFLSA-N	1	0	364.453	1.857	20	30		FDEDRO
CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2cccc(C#N)n2)CC1	ZINC000602665170	553620688	/nfs/dbraw/zinc/62/06/88/553620688.db2.gz	RWERZVQKVSLUIZ-AWEZNQCLSA-N	1	0	350.488	1.835	20	30		FDEDRO
COc1ccc(CNC(=O)CC[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c(OC)c1	ZINC000602848757	553650805	/nfs/dbraw/zinc/65/08/05/553650805.db2.gz	IGOGLNLBZSQAHP-IYBDPMFKSA-N	1	0	374.485	1.628	20	30		FDEDRO
Cc1ccc(NC(=O)N2CCN(CCC#N)CC2)c(OCC[NH+](C)C)c1	ZINC000602867606	553655371	/nfs/dbraw/zinc/65/53/71/553655371.db2.gz	XCVTYAJHFIIFDC-UHFFFAOYSA-N	1	0	359.474	1.999	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[N@H+](C)[C@H](C(C)(C)C)C2)CC1	ZINC000602874417	553656482	/nfs/dbraw/zinc/65/64/82/553656482.db2.gz	PKWUIAZYTMHXDS-MSOLQXFVSA-N	1	0	363.550	1.341	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@](O)(C[NH+](C)C)C1	ZINC000602893351	553663270	/nfs/dbraw/zinc/66/32/70/553663270.db2.gz	UWXGILDFXOJMLN-PXNSSMCTSA-N	1	0	358.486	1.710	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)CN1CC2(CCCC2)OC[C@@H]1C[NH+](C)C	ZINC000602913612	553668309	/nfs/dbraw/zinc/66/83/09/553668309.db2.gz	PNJULZREAVSMLL-SJORKVTESA-N	1	0	350.507	1.570	20	30		FDEDRO
CC[NH2+]Cc1cn([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)nn1	ZINC000603192910	553728009	/nfs/dbraw/zinc/72/80/09/553728009.db2.gz	AWZFESYIQOKULL-AWEZNQCLSA-N	1	0	356.430	1.904	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H](n2cc(C[C@H]3CCC[NH2+]C3)nn2)C1=O	ZINC000603192374	553728142	/nfs/dbraw/zinc/72/81/42/553728142.db2.gz	HTSQQOFVWSGGDG-DOMZBBRYSA-N	1	0	356.455	1.731	20	30		FDEDRO
C[N@@H+]1CCCN(CCCNS(=O)(=O)c2cc(C#N)ccc2Cl)CC1	ZINC000603404079	553780995	/nfs/dbraw/zinc/78/09/95/553780995.db2.gz	SSFKJXISFNGKPU-UHFFFAOYSA-N	1	0	370.906	1.518	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)CN3CCCNC3=O)CC2)cc1	ZINC000603633898	553807902	/nfs/dbraw/zinc/80/79/02/553807902.db2.gz	JMHHCCGJZMQRHU-UHFFFAOYSA-N	1	0	355.442	1.008	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1C[C@H]2C[NH2+]C[C@@H]2C1	ZINC000603867015	553822188	/nfs/dbraw/zinc/82/21/88/553822188.db2.gz	BNHPBVHHUQRDET-HZPDHXFCSA-N	1	0	359.474	1.103	20	30		FDEDRO
N#Cc1ccc(CSCC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1	ZINC000608867025	554326381	/nfs/dbraw/zinc/32/63/81/554326381.db2.gz	IVIRCUHJNMHYCS-KRWDZBQOSA-N	1	0	374.510	1.495	20	30		FDEDRO
Cc1c(C(=O)N[C@@H](C#N)C(C)C)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000609522587	554386847	/nfs/dbraw/zinc/38/68/47/554386847.db2.gz	OSFBQDZRZFBWCR-INIZCTEOSA-N	1	0	352.442	1.842	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)cc1	ZINC000609552104	554392382	/nfs/dbraw/zinc/39/23/82/554392382.db2.gz	MPTQFHLSGHECBZ-QZTJIDSGSA-N	1	0	357.454	1.579	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H]1CCCN1c1cccnn1)C(=O)Nc1cccc(C#N)c1	ZINC000609574805	554395848	/nfs/dbraw/zinc/39/58/48/554395848.db2.gz	ZPIAVWQEFMFSST-PBHICJAKSA-N	1	0	350.426	1.934	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H]1CCCN1c1cccnn1)C(=O)Nc1ccccc1C#N	ZINC000609574742	554396075	/nfs/dbraw/zinc/39/60/75/554396075.db2.gz	HYCASFRHSMECDS-HOCLYGCPSA-N	1	0	350.426	1.934	20	30		FDEDRO
COC(=O)[C@@H]1CC12CC[NH+](C[C@H](O)COc1ccc(CC#N)cc1)CC2	ZINC000609616887	554402897	/nfs/dbraw/zinc/40/28/97/554402897.db2.gz	BJYBJTFLTKNBLT-WMZOPIPTSA-N	1	0	358.438	1.767	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(C(N)=O)(c2ccccc2)CC1	ZINC000609672879	554409970	/nfs/dbraw/zinc/40/99/70/554409970.db2.gz	VCONAWMCNOWKIK-JXFKEZNVSA-N	1	0	370.497	1.948	20	30		FDEDRO
N#Cc1ccc([C@@H]([NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)C(N)=O)cc1	ZINC000609676716	554410715	/nfs/dbraw/zinc/41/07/15/554410715.db2.gz	MOASYUBIPILTCU-CRAIPNDOSA-N	1	0	363.421	1.052	20	30		FDEDRO
C[NH+](C)CCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	ZINC000609811918	554424467	/nfs/dbraw/zinc/42/44/67/554424467.db2.gz	XNLAKMXRYHLFBZ-UHFFFAOYSA-N	1	0	353.382	1.362	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1	ZINC000610242435	554476975	/nfs/dbraw/zinc/47/69/75/554476975.db2.gz	IXVAWHMDPOBHCS-UYAOXDASSA-N	1	0	368.481	1.708	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]2C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1	ZINC000610242433	554477016	/nfs/dbraw/zinc/47/70/16/554477016.db2.gz	IXVAWHMDPOBHCS-ICSRJNTNSA-N	1	0	368.481	1.708	20	30		FDEDRO
C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1S(=O)(=O)N(C)CCC#N	ZINC000610472282	554514468	/nfs/dbraw/zinc/51/44/68/554514468.db2.gz	QJWZDOUIFWMMOO-MRXNPFEDSA-N	1	0	350.488	1.673	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1	ZINC000610478113	554516183	/nfs/dbraw/zinc/51/61/83/554516183.db2.gz	MAKWCYQYGDDOLV-UHFFFAOYSA-N	1	0	374.408	1.888	20	30		FDEDRO
CC(C)(CO)[NH+]1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1	ZINC000610481312	554516628	/nfs/dbraw/zinc/51/66/28/554516628.db2.gz	ZHNVXOAZZJYEKY-UHFFFAOYSA-N	1	0	350.850	1.539	20	30		FDEDRO
CC1CC[NH+](CC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1	ZINC000610770390	554560361	/nfs/dbraw/zinc/56/03/61/554560361.db2.gz	OVDMXASDIQWXJS-UHFFFAOYSA-N	1	0	357.458	1.804	20	30		FDEDRO
CN(C(=O)NC1CCN(CC#N)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000610774323	554560540	/nfs/dbraw/zinc/56/05/40/554560540.db2.gz	YBZBOYYXILJLIG-IBGZPJMESA-N	1	0	355.486	1.890	20	30		FDEDRO
N#Cc1ccc(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(F)c1	ZINC000610882233	554574807	/nfs/dbraw/zinc/57/48/07/554574807.db2.gz	AXOITHKXKJHJPB-ZWKOTPCHSA-N	1	0	360.433	1.874	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC1	ZINC000611156980	554610597	/nfs/dbraw/zinc/61/05/97/554610597.db2.gz	NDJACCRNHNCOGL-FQEVSTJZSA-N	1	0	370.497	1.832	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[NH+](C(C)(C)CO)CC1	ZINC000611165947	554611336	/nfs/dbraw/zinc/61/13/36/554611336.db2.gz	MDSSYWMUCVCMBO-UHFFFAOYSA-N	1	0	360.458	1.123	20	30		FDEDRO
N#CCCN1CC[NH+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1	ZINC000611175448	554612557	/nfs/dbraw/zinc/61/25/57/554612557.db2.gz	COTOWKSZOPLQJE-UHFFFAOYSA-N	1	0	373.476	1.396	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1	ZINC000611209095	554615447	/nfs/dbraw/zinc/61/54/47/554615447.db2.gz	DUHSYTKCCSCQIM-TXDAXLQXSA-N	1	0	360.502	1.905	20	30		FDEDRO
COC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000611371358	554629260	/nfs/dbraw/zinc/62/92/60/554629260.db2.gz	BLSPFMRQPYNXQG-IRXDYDNUSA-N	1	0	364.490	1.096	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1	ZINC000611738927	554674109	/nfs/dbraw/zinc/67/41/09/554674109.db2.gz	CLSRCGKIBSQUTA-SFHVURJKSA-N	1	0	351.491	1.561	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC([NH+](C)C)CC1	ZINC000612202031	554748173	/nfs/dbraw/zinc/74/81/73/554748173.db2.gz	VVAYNGOOBSPGQX-UHFFFAOYSA-N	1	0	374.441	1.075	20	30		FDEDRO
N#Cc1cccc(C2(C(=O)N3CCC(O)(C[NH+]4CCOCC4)CC3)CC2)c1	ZINC000612314285	554761405	/nfs/dbraw/zinc/76/14/05/554761405.db2.gz	LRRXYAIAFGOSRO-UHFFFAOYSA-N	1	0	369.465	1.276	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C	ZINC000612414006	554773950	/nfs/dbraw/zinc/77/39/50/554773950.db2.gz	ISWGWEIUJDSKJV-SFHVURJKSA-N	1	0	373.497	1.818	20	30		FDEDRO
N#Cc1cc(N2CCC(O)(C[NH+]3CCOCC3)CC2)c2ccccc2n1	ZINC000612452097	554784117	/nfs/dbraw/zinc/78/41/17/554784117.db2.gz	UQFUQPUPURFTOA-UHFFFAOYSA-N	1	0	352.438	1.770	20	30		FDEDRO
CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2cccc(C#N)n2)CC1	ZINC000612840910	554849035	/nfs/dbraw/zinc/84/90/35/554849035.db2.gz	QTPGGVMKVYMEGF-MRXNPFEDSA-N	1	0	356.474	1.659	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1	ZINC000613482092	554930536	/nfs/dbraw/zinc/93/05/36/554930536.db2.gz	NWMORTVRISWEBV-GOSISDBHSA-N	1	0	364.534	1.333	20	30		FDEDRO
CC1(C)CN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC[N@@H+]1CCO	ZINC000614894988	555133891	/nfs/dbraw/zinc/13/38/91/555133891.db2.gz	MKIUTXKXPQOXNV-UHFFFAOYSA-N	1	0	372.469	1.582	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CC[C@](F)(C#N)C2)CC1	ZINC000615592611	555216920	/nfs/dbraw/zinc/21/69/20/555216920.db2.gz	SPMGQZASEWUHEA-SFHVURJKSA-N	1	0	367.469	1.260	20	30		FDEDRO
COc1cccc(CN(CC[NH+](C)C)C(=O)NC2CCN(CC#N)CC2)c1	ZINC000616233003	555282880	/nfs/dbraw/zinc/28/28/80/555282880.db2.gz	DWWNJKRLMDDBPW-UHFFFAOYSA-N	1	0	373.501	1.756	20	30		FDEDRO
CN(CCCN1CC[NH+](C)CC1)C(=O)N[C@@H]1CCc2cc(C#N)ccc21	ZINC000618854158	555688833	/nfs/dbraw/zinc/68/88/33/555688833.db2.gz	SADBBRCDLDXKEJ-LJQANCHMSA-N	1	0	355.486	1.824	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1	ZINC000618877634	555689986	/nfs/dbraw/zinc/68/99/86/555689986.db2.gz	MOONXQBOCKJUTF-GOSISDBHSA-N	1	0	372.388	1.881	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1	ZINC000618877636	555690008	/nfs/dbraw/zinc/69/00/08/555690008.db2.gz	MOONXQBOCKJUTF-SFHVURJKSA-N	1	0	372.388	1.881	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH2+]C[C@H]3CNc4ccnn4C3)C2=O)cc1	ZINC000619264901	555747745	/nfs/dbraw/zinc/74/77/45/555747745.db2.gz	MTYVTSUGOAQCMM-RDJZCZTQSA-N	1	0	350.426	1.582	20	30		FDEDRO
C[C@H](C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)n1cnc(C#N)n1	ZINC000619614662	555809768	/nfs/dbraw/zinc/80/97/68/555809768.db2.gz	JQHOUKJSGMXVNX-ZIAGYGMSSA-N	1	0	353.430	1.448	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(C[NH+]2CCCCCC2)CC1	ZINC000619707420	555823733	/nfs/dbraw/zinc/82/37/33/555823733.db2.gz	WWTNMAXDIAERSJ-INIZCTEOSA-N	1	0	356.536	1.911	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(OC)c1	ZINC000620488474	555942189	/nfs/dbraw/zinc/94/21/89/555942189.db2.gz	HZDNNQJFDRITPE-SFHVURJKSA-N	1	0	374.481	1.860	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1	ZINC000622026712	556205285	/nfs/dbraw/zinc/20/52/85/556205285.db2.gz	PRQNQAOMJRTMKI-UZLBHIALSA-N	1	0	357.454	1.550	20	30		FDEDRO
C=CCn1c(-c2cn[nH]c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C	ZINC000624847628	556654006	/nfs/dbraw/zinc/65/40/06/556654006.db2.gz	RIIYRTKDCLIOOR-CQSZACIVSA-N	1	0	357.462	1.544	20	30		FDEDRO
NC(=O)C[C@@H]([NH2+]CC#CCN1C(=O)c2ccccc2C1=O)C1CCCCC1	ZINC000625321842	556774721	/nfs/dbraw/zinc/77/47/21/556774721.db2.gz	XCMAXFRXAXBAQY-GOSISDBHSA-N	1	0	367.449	1.700	20	30		FDEDRO
CCO[C@@H]1C[C@](CO)([NH2+]CC#CCN2C(=O)c3ccccc3C2=O)C1(C)C	ZINC000625362068	556783685	/nfs/dbraw/zinc/78/36/85/556783685.db2.gz	WCRLCZCCNHQAFV-DYESRHJHSA-N	1	0	370.449	1.442	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1	ZINC000625526834	556841605	/nfs/dbraw/zinc/84/16/05/556841605.db2.gz	UVHVNNYSTNKAJR-UHFFFAOYSA-N	1	0	360.458	1.457	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C1	ZINC000625745399	556916437	/nfs/dbraw/zinc/91/64/37/556916437.db2.gz	CULOESAYJKJJDT-KRWDZBQOSA-N	1	0	363.502	1.514	20	30		FDEDRO
C[NH2+]CCOCCN(C)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000626929446	557232410	/nfs/dbraw/zinc/23/24/10/557232410.db2.gz	WFKIEFMNOFXJQA-UHFFFAOYSA-N	1	0	357.376	1.934	20	30		FDEDRO
C=CCN1CCC(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)CC1	ZINC000631909266	558062642	/nfs/dbraw/zinc/06/26/42/558062642.db2.gz	ZOMMODBYZSSVHB-UHFFFAOYSA-N	1	0	367.496	1.529	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[N@@H+](CC)C[C@@H]2C)c1	ZINC000632450105	558155565	/nfs/dbraw/zinc/15/55/65/558155565.db2.gz	SZNHEQARCDAJJF-HNNXBMFYSA-N	1	0	365.499	1.707	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H]([NH3+])C[C@H]2C)cc1	ZINC000632898769	558229531	/nfs/dbraw/zinc/22/95/31/558229531.db2.gz	WBGQEGIDPGCYCL-OLZOCXBDSA-N	1	0	352.460	1.447	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCC(F)(F)C2)CC1	ZINC000330275336	568083096	/nfs/dbraw/zinc/08/30/96/568083096.db2.gz	LIQZXWFWBKPONP-ZIAGYGMSSA-N	1	0	358.433	1.574	20	30		FDEDRO
N#Cc1cccc(C2([NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)CC2)c1	ZINC000826386741	607705171	/nfs/dbraw/zinc/70/51/71/607705171.db2.gz	RAQHFMXWJXZKEF-CYBMUJFWSA-N	1	0	361.413	1.255	20	30		FDEDRO
COc1ccc(-c2nn[nH]n2)cc1CO[NH+]=C(N)c1ccc(N(C)C)cc1	ZINC000826184821	608012171	/nfs/dbraw/zinc/01/21/71/608012171.db2.gz	MIGZKAZCAKYGJM-UHFFFAOYSA-N	1	0	367.413	1.778	20	30		FDEDRO
CC(=NNC(=S)NCCC[NH+](C)C)c1ccc(-c2nn[nH]n2)s1	ZINC000823953802	608094439	/nfs/dbraw/zinc/09/44/39/608094439.db2.gz	QRXJDUSTBGSEGG-UHFFFAOYSA-N	1	0	352.493	1.068	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000823878155	609224994	/nfs/dbraw/zinc/22/49/94/609224994.db2.gz	RCHIJBXLCRWZDS-MRXNPFEDSA-N	1	0	356.430	1.057	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)cc1	ZINC000274506968	674592946	/nfs/dbraw/zinc/59/29/46/674592946.db2.gz	QCHZBKRUHUIPHG-MRXNPFEDSA-N	1	0	365.499	1.754	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1CNS(=O)(=O)c1cccnc1C#N	ZINC000276936415	674813189	/nfs/dbraw/zinc/81/31/89/674813189.db2.gz	ALJMSIRLKZWZJX-UHFFFAOYSA-N	1	0	360.439	1.372	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccnc2C#N)[C@@H](C)C1	ZINC000277061189	674847668	/nfs/dbraw/zinc/84/76/68/674847668.db2.gz	RGDLBSNFTCINAE-LSDHHAIUSA-N	1	0	366.487	1.369	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C	ZINC000286488367	675896245	/nfs/dbraw/zinc/89/62/45/675896245.db2.gz	MGVSDAKSFRGZCN-HNNXBMFYSA-N	1	0	353.463	1.580	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1	ZINC000278519227	675148284	/nfs/dbraw/zinc/14/82/84/675148284.db2.gz	CIQMFJDYPLHUAQ-LBPRGKRZSA-N	1	0	350.444	1.588	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CCCCN1S(C)(=O)=O)C(C)C	ZINC000047633448	671041926	/nfs/dbraw/zinc/04/19/26/671041926.db2.gz	ONMJCGMAQQDIPA-SJORKVTESA-N	1	0	371.547	1.615	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)NC2CC[NH+](CCC)CC2)cc1	ZINC000055200585	671229327	/nfs/dbraw/zinc/22/93/27/671229327.db2.gz	FEZFGZTXDSKHOJ-UHFFFAOYSA-N	1	0	363.483	1.202	20	30		FDEDRO
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(S(=O)(=O)c2ccc(C#N)o2)CC1	ZINC000286744634	675903126	/nfs/dbraw/zinc/90/31/26/675903126.db2.gz	CXLGMQFBGACJOT-HUUCEWRRSA-N	1	0	366.487	1.330	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1	ZINC000286756975	675903923	/nfs/dbraw/zinc/90/39/23/675903923.db2.gz	PLDBNLYBMSHXGT-MRXNPFEDSA-N	1	0	372.466	1.125	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NCC[N@@H+](C)[C@@H](C)CC)ccc1F	ZINC000104388900	671596571	/nfs/dbraw/zinc/59/65/71/671596571.db2.gz	KSFOWKZUUGWOPI-ZDUSSCGKSA-N	1	0	371.478	1.750	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCCOCc1ccc(Cl)cc1	ZINC000124887791	671742390	/nfs/dbraw/zinc/74/23/90/671742390.db2.gz	MKSFUSATDSVBAP-UHFFFAOYSA-N	1	0	354.882	1.483	20	30		FDEDRO
CCC(CC)(CO)CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000133958049	671824946	/nfs/dbraw/zinc/82/49/46/671824946.db2.gz	BMOOGSPLMQEOGS-AWEZNQCLSA-N	1	0	354.495	1.666	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cccc(NS(C)(=O)=O)c1	ZINC000134032533	671825354	/nfs/dbraw/zinc/82/53/54/671825354.db2.gz	KDCWMZAEHPDEFA-AWEZNQCLSA-N	1	0	352.456	1.949	20	30		FDEDRO
C#CCOc1ccc(C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cc1	ZINC000159427140	671991389	/nfs/dbraw/zinc/99/13/89/671991389.db2.gz	ANWOTOLLCGYMOD-QGZVFWFLSA-N	1	0	350.484	1.992	20	30		FDEDRO
C#CCOc1ccc([C@H](C)[NH2+]CCNS(=O)(=O)Cc2ccon2)cc1	ZINC000162362036	672017719	/nfs/dbraw/zinc/01/77/19/672017719.db2.gz	ZUNOOHMUNYJJEO-AWEZNQCLSA-N	1	0	363.439	1.457	20	30		FDEDRO
C[C@H]1CCCN(C(=[NH2+])NCc2cccc(N3CCCS3(=O)=O)c2)C1	ZINC000184875040	672251037	/nfs/dbraw/zinc/25/10/37/672251037.db2.gz	KYFRYMOHSJXQJP-AWEZNQCLSA-N	1	0	350.488	1.773	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NCC([NH3+])(CC)CC)ccc1F	ZINC000236811921	672419149	/nfs/dbraw/zinc/41/91/49/672419149.db2.gz	FJXIMANQXCSTBC-UHFFFAOYSA-N	1	0	357.451	1.537	20	30		FDEDRO
CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CCC[NH3+])cc1	ZINC000237071155	672420290	/nfs/dbraw/zinc/42/02/90/672420290.db2.gz	CFKSIPCBYDRJRE-CAPFRKAQSA-N	1	0	366.487	1.957	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(C)(C)C[NH3+])c1	ZINC000237089362	672420295	/nfs/dbraw/zinc/42/02/95/672420295.db2.gz	VNUZUWNXMKDTSN-XMHGGMMESA-N	1	0	352.460	1.423	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)ccc1F	ZINC000237410495	672422812	/nfs/dbraw/zinc/42/28/12/672422812.db2.gz	CSXPQFDEORLPPU-DGCLKSJQSA-N	1	0	355.435	1.242	20	30		FDEDRO
C[C@@H]([NH3+])C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1	ZINC000254952220	672606099	/nfs/dbraw/zinc/60/60/99/672606099.db2.gz	DSDLIXCXDWWQQS-WGBIJJAVSA-N	1	0	352.460	1.565	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)NC[C@@](C)(O)c1cccs1	ZINC000261629105	672639109	/nfs/dbraw/zinc/63/91/09/672639109.db2.gz	CFIYPVSUMYUTFB-CXAGYDPISA-N	1	0	362.503	1.283	20	30		FDEDRO
C[NH+]=C(NCC1(CO)CCOCC1)N1CCN(c2cccs2)CC1	ZINC000261652863	672643468	/nfs/dbraw/zinc/64/34/68/672643468.db2.gz	ADAWAEWTGLLCPM-UHFFFAOYSA-N	1	0	352.504	1.235	20	30		FDEDRO
C[NH+]=C(NCC1CCSCC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1	ZINC000261651886	672643581	/nfs/dbraw/zinc/64/35/81/672643581.db2.gz	ACEHLVNWHAZGCB-KRWDZBQOSA-N	1	0	367.519	1.015	20	30		FDEDRO
C[NH+]=C(NCCN1CCOC(C)(C)C1)N1CCC(OC(C)(C)C)CC1	ZINC000261690150	672651851	/nfs/dbraw/zinc/65/18/51/672651851.db2.gz	DZUWUMWMCXGTKZ-UHFFFAOYSA-N	1	0	354.539	1.952	20	30		FDEDRO
C[NH+]=C(NCCc1cccs1)NCC1CCN(S(C)(=O)=O)CC1	ZINC000261708735	672656110	/nfs/dbraw/zinc/65/61/10/672656110.db2.gz	UYNFKZUYEJCAEW-UHFFFAOYSA-N	1	0	358.533	1.127	20	30		FDEDRO
C[NH+]=C(NCC(C)(C)SC)N1CCC([C@]2(C)NC(=O)NC2=O)CC1	ZINC000261720378	672658432	/nfs/dbraw/zinc/65/84/32/672658432.db2.gz	IGUMLGWKQGYQAO-INIZCTEOSA-N	1	0	355.508	1.014	20	30		FDEDRO
CC[S@](=O)[C@@H]1CCC[C@@H](NC(NCc2nnc3n2CCCC3)=[NH+]C)C1	ZINC000261770000	672668908	/nfs/dbraw/zinc/66/89/08/672668908.db2.gz	PFBXJBHXGZTFFC-IEBYYPBYSA-N	1	0	366.535	1.359	20	30		FDEDRO
C[NH+]=C(NCc1cnc(N(C)C)n1C)N1CCN(c2cccs2)CC1	ZINC000261809684	672675559	/nfs/dbraw/zinc/67/55/59/672675559.db2.gz	SILJVVTVAOOZGI-UHFFFAOYSA-N	1	0	361.519	1.445	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCC(OC(C)(C)C)CC1	ZINC000261816374	672677122	/nfs/dbraw/zinc/67/71/22/672677122.db2.gz	TZFBNDLKNDBGSS-AWEZNQCLSA-N	1	0	359.536	1.666	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCN(c2cccs2)CC1	ZINC000261847353	672682531	/nfs/dbraw/zinc/68/25/31/672682531.db2.gz	XOGZILXSKDMVTH-AWEZNQCLSA-N	1	0	370.544	1.270	20	30		FDEDRO
C[NH+]=C(NCC1(CS(C)(=O)=O)CC1)N1CC[C@H](C)[C@H](n2ccnc2)C1	ZINC000261948373	672699793	/nfs/dbraw/zinc/69/97/93/672699793.db2.gz	GPSLGGAHNJCWAK-LSDHHAIUSA-N	1	0	367.519	1.166	20	30		FDEDRO
C#CCNC(=[NH+]C)N1CCN(Cc2ccc(Br)c(F)c2)CC1	ZINC000261949616	672700050	/nfs/dbraw/zinc/70/00/50/672700050.db2.gz	GYPGFYKLTQHJMB-UHFFFAOYSA-N	1	0	367.266	1.914	20	30		FDEDRO
C[NH+]=C(NCc1cn2ccc(C)cc2n1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261962345	672703034	/nfs/dbraw/zinc/70/30/34/672703034.db2.gz	KORHDJRAVVOICC-UHFFFAOYSA-N	1	0	363.487	1.227	20	30		FDEDRO
COc1ccc(Cl)cc1CNC(=[NH2+])N1CCN(c2ncccn2)CC1	ZINC000262005477	672710616	/nfs/dbraw/zinc/71/06/16/672710616.db2.gz	RGVYUWSUSLODDS-UHFFFAOYSA-N	1	0	360.849	1.776	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1[NH2+]CCc2ccccc21	ZINC000262228761	672751100	/nfs/dbraw/zinc/75/11/00/672751100.db2.gz	GOQWICPWAGMLRL-MRXNPFEDSA-N	1	0	357.435	1.732	20	30		FDEDRO
CN(C)C(=O)CNC(=[NH+]C1CCOCC1)N1CCC2(C1)CCCCC2	ZINC000262249423	672754339	/nfs/dbraw/zinc/75/43/39/672754339.db2.gz	BQESDCADOAHKND-UHFFFAOYSA-N	1	0	350.507	1.855	20	30		FDEDRO
C[NH+]=C(NCC(=O)N(C)C)N[C@H]1CCN(c2cc(Cl)ccc2OC)C1	ZINC000262323575	672769761	/nfs/dbraw/zinc/76/97/61/672769761.db2.gz	SNJYAXKKIBWMAI-ZDUSSCGKSA-N	1	0	367.881	1.181	20	30		FDEDRO
CC1CCN(C(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C[C@@H]2CCOC2)CC1	ZINC000262364431	672776992	/nfs/dbraw/zinc/77/69/92/672776992.db2.gz	HIZMUZKSSPUJBW-JKSUJKDBSA-N	1	0	357.520	1.135	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(=[NH+]C2CC2)N2CCC[C@]3(CCCOC3)C2)C1	ZINC000262370385	672778136	/nfs/dbraw/zinc/77/81/36/672778136.db2.gz	IKKAEDFZGRXWSD-QAPCUYQASA-N	1	0	369.531	1.422	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCOC2(CCCC2)C1	ZINC000262384891	672780853	/nfs/dbraw/zinc/78/08/53/672780853.db2.gz	LEKPXQMPXKPVFL-JKSUJKDBSA-N	1	0	371.547	1.857	20	30		FDEDRO
CC[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCSC(CC)(CC)C1	ZINC000262406390	672784457	/nfs/dbraw/zinc/78/44/57/672784457.db2.gz	OQIMMSDAKFVEAU-CQSZACIVSA-N	1	0	361.577	1.994	20	30		FDEDRO
Cc1cc(Br)cn2cc(CNC(=[NH2+])N3CCOCC3)nc12	ZINC000262418081	672786109	/nfs/dbraw/zinc/78/61/09/672786109.db2.gz	ZNVYMAVTWKTCMG-UHFFFAOYSA-N	1	0	352.236	1.552	20	30		FDEDRO
C#CCNC(N[C@@H]1CCc2ccccc2C1)=[NH+]C[C@H]1CCS(=O)(=O)C1	ZINC000262429773	672788263	/nfs/dbraw/zinc/78/82/63/672788263.db2.gz	SGFRTWIENMTLBW-CRAIPNDOSA-N	1	0	359.495	1.147	20	30		FDEDRO
C#CCNC(N[C@H]1CCc2ccccc2C1)=[NH+]C[C@H]1CCS(=O)(=O)C1	ZINC000262429778	672788330	/nfs/dbraw/zinc/78/83/30/672788330.db2.gz	SGFRTWIENMTLBW-QAPCUYQASA-N	1	0	359.495	1.147	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2	ZINC000262440816	672790176	/nfs/dbraw/zinc/79/01/76/672790176.db2.gz	UQDRUVLXLGRWFR-CAOSSQGBSA-N	1	0	369.531	1.324	20	30		FDEDRO
CC(C)[C@@H]1CN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)CCS1	ZINC000262442722	672790453	/nfs/dbraw/zinc/79/04/53/672790453.db2.gz	UWJZHJIPNBZWCE-ZFWWWQNUSA-N	1	0	359.561	1.603	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(N[C@@H]2CCC(=O)N(C)C2)=[NH+]C)C12CCCCC2	ZINC000262467211	672794363	/nfs/dbraw/zinc/79/43/63/672794363.db2.gz	YJGBDJABAIKYAN-OWCLPIDISA-N	1	0	350.507	1.900	20	30		FDEDRO
CO[C@@]1(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)CCOC1	ZINC000262645705	672824672	/nfs/dbraw/zinc/82/46/72/672824672.db2.gz	IKLLODCTBBJNTQ-QGZVFWFLSA-N	1	0	352.866	1.582	20	30		FDEDRO
C[NH+]=C(NCCc1cc(Cl)c2c(c1)OCCO2)NC[C@H]1CCOC1	ZINC000262655493	672826198	/nfs/dbraw/zinc/82/61/98/672826198.db2.gz	WXUYCXUASKPWSF-CYBMUJFWSA-N	1	0	353.850	1.855	20	30		FDEDRO
C[NH+]=C(NC[C@@H](O)c1ccc(Cl)cc1)N[C@H]1CCCn2nc(C)nc21	ZINC000262777967	672847653	/nfs/dbraw/zinc/84/76/53/672847653.db2.gz	KCFBQCRDRZLLJY-LSDHHAIUSA-N	1	0	362.865	1.973	20	30		FDEDRO
CCN(CC)[C@H](CNC(=[NH2+])NCCCN1CCOCC1)c1ccco1	ZINC000264068745	672900125	/nfs/dbraw/zinc/90/01/25/672900125.db2.gz	CLOVGQYKJKCNEG-MRXNPFEDSA-N	1	0	351.495	1.289	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCOc2ccc(F)cc2)CC1	ZINC000264087040	672900607	/nfs/dbraw/zinc/90/06/07/672900607.db2.gz	JWFNNAKFULMNFB-UHFFFAOYSA-N	1	0	352.410	1.730	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CCc2c(C)nc(SC)[nH]c2=O)CC1	ZINC000264484288	672914728	/nfs/dbraw/zinc/91/47/28/672914728.db2.gz	LXTKBEJCBCDSQO-UHFFFAOYSA-N	1	0	350.488	1.912	20	30		FDEDRO
C=C1CC[NH+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1	ZINC000264519063	672916298	/nfs/dbraw/zinc/91/62/98/672916298.db2.gz	ZPGXVNRMKWVTCR-UHFFFAOYSA-N	1	0	366.483	1.738	20	30		FDEDRO
CCN(CC)[C@H](CNC(NCCN1CCOCC1)=[NH+]C)c1ccco1	ZINC000264994978	672927767	/nfs/dbraw/zinc/92/77/67/672927767.db2.gz	SCZUOSHLAZHJNI-MRXNPFEDSA-N	1	0	351.495	1.160	20	30		FDEDRO
C=C[C@H](CO)[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1	ZINC000289782865	676177891	/nfs/dbraw/zinc/17/78/91/676177891.db2.gz	MVSRLTVAWQLUES-DZGCQCFKSA-N	1	0	350.440	1.956	20	30		FDEDRO
N#Cc1cccc(OCCC[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c1	ZINC000278819342	675202257	/nfs/dbraw/zinc/20/22/57/675202257.db2.gz	HJKGQBBRMXYSRH-QGZVFWFLSA-N	1	0	363.483	1.827	20	30		FDEDRO
Cc1nnc(CCNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)s1	ZINC000290641608	676220489	/nfs/dbraw/zinc/22/04/89/676220489.db2.gz	MBQQXIZSMCLZBE-LBPRGKRZSA-N	1	0	366.491	1.270	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCC2([S@](C)=O)CCC2)cc1OC	ZINC000280628705	675442101	/nfs/dbraw/zinc/44/21/01/675442101.db2.gz	SSRQETZYAGRLMW-DEOSSOPVSA-N	1	0	353.488	1.452	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1	ZINC000281800832	675561354	/nfs/dbraw/zinc/56/13/54/675561354.db2.gz	PZCRXIJUZURIMH-NUJGCVRESA-N	1	0	364.515	1.965	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C	ZINC000281856575	675569203	/nfs/dbraw/zinc/56/92/03/675569203.db2.gz	BOEPTUSCQXLSSU-WBVHZDCISA-N	1	0	368.503	1.374	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000281870224	675571284	/nfs/dbraw/zinc/57/12/84/675571284.db2.gz	CNHSWHCQQWJLRK-HLLBOEOZSA-N	1	0	350.488	1.433	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000281870228	675571386	/nfs/dbraw/zinc/57/13/86/675571386.db2.gz	CNHSWHCQQWJLRK-INMHGKMJSA-N	1	0	350.488	1.433	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000282814510	675642630	/nfs/dbraw/zinc/64/26/30/675642630.db2.gz	LDRHNVFKEVFNOD-WBVHZDCISA-N	1	0	350.488	1.577	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(F)c(Cl)c2)CC1	ZINC000283492989	675657959	/nfs/dbraw/zinc/65/79/59/675657959.db2.gz	ITKCORDJNIIRNY-UHFFFAOYSA-N	1	0	353.825	1.862	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C	ZINC000284456050	675714731	/nfs/dbraw/zinc/71/47/31/675714731.db2.gz	QDCHWYSIYLLTIZ-FMKPAKJESA-N	1	0	365.499	1.564	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCCC2(O)CCOCC2)cc1OC	ZINC000284937237	675767891	/nfs/dbraw/zinc/76/78/91/675767891.db2.gz	DABUNLUTXZJFMB-UHFFFAOYSA-N	1	0	351.447	1.082	20	30		FDEDRO
CC[N@H+](CCOCCC#N)C[C@@H](O)COc1ccc(CCOC)cc1	ZINC000292908977	676327356	/nfs/dbraw/zinc/32/73/56/676327356.db2.gz	HGCIDMSMTIBGBC-GOSISDBHSA-N	1	0	350.459	1.867	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2OCCN(CC(=O)Nc3sc(C)c(C)c3C#N)[C@H]2C1	ZINC000293285022	676342619	/nfs/dbraw/zinc/34/26/19/676342619.db2.gz	OKJAFILCSPANKP-JKSUJKDBSA-N	1	0	362.499	1.970	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C)nc1Br	ZINC000293379012	676348146	/nfs/dbraw/zinc/34/81/46/676348146.db2.gz	MSAKRXCCIGPLDP-UHFFFAOYSA-N	1	0	367.247	1.162	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(C)c(Cl)cc1OC	ZINC000293394538	676349085	/nfs/dbraw/zinc/34/90/85/676349085.db2.gz	NZLYBHFWEKCQHC-UHFFFAOYSA-N	1	0	351.834	1.667	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@H](CC)c1cccc(S(N)(=O)=O)c1	ZINC000296299781	676417547	/nfs/dbraw/zinc/41/75/47/676417547.db2.gz	JGAIQHQJGUKVOL-MRXNPFEDSA-N	1	0	366.487	1.039	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N(C)Cc1ccc(S(C)(=O)=O)cc1	ZINC000296483091	676418853	/nfs/dbraw/zinc/41/88/53/676418853.db2.gz	AHXALIJITNSQSN-UHFFFAOYSA-N	1	0	351.472	1.187	20	30		FDEDRO
Cc1c(Cl)cncc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000297138537	676424485	/nfs/dbraw/zinc/42/44/85/676424485.db2.gz	XXGWSULYLQXSMU-UHFFFAOYSA-N	1	0	351.838	1.676	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCC1(c2ccc(Cl)cc2)CC1	ZINC000303970812	676543898	/nfs/dbraw/zinc/54/38/98/676543898.db2.gz	CYJRLFQPVUNCPN-UHFFFAOYSA-N	1	0	350.894	1.998	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@@]2(C)CCCC[C@H]2O)CC1	ZINC000304714747	676544092	/nfs/dbraw/zinc/54/40/92/676544092.db2.gz	MWTWSMLJLVEEDW-RDTXWAMCSA-N	1	0	354.495	1.795	20	30		FDEDRO
COC(=O)CCCCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000305036558	676544751	/nfs/dbraw/zinc/54/47/51/676544751.db2.gz	SUFCUGAWMYEDBL-CYBMUJFWSA-N	1	0	354.451	1.210	20	30		FDEDRO
N#Cc1cncc(S(=O)(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1	ZINC000311088713	676548130	/nfs/dbraw/zinc/54/81/30/676548130.db2.gz	YGBBACPGJFNQET-INIZCTEOSA-N	1	0	356.451	1.754	20	30		FDEDRO
CS(=O)(=O)NC[C@@H]1CCCN(C(=O)NCC2CC[NH+](C3CC3)CC2)C1	ZINC000328610276	676599822	/nfs/dbraw/zinc/59/98/22/676599822.db2.gz	NONOOJYPRARXRJ-HNNXBMFYSA-N	1	0	372.535	1.036	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)CCSC1	ZINC000328691785	676602565	/nfs/dbraw/zinc/60/25/65/676602565.db2.gz	IXCSJUDSMCNUKS-DAYGRLMNSA-N	1	0	371.547	1.495	20	30		FDEDRO
CN(CC1(O)CCCC1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000328703004	676603164	/nfs/dbraw/zinc/60/31/64/676603164.db2.gz	JVWSBIJKKWSVPY-IAGOWNOFSA-N	1	0	353.507	1.905	20	30		FDEDRO
O=C(Nc1nc(CN2CCOCC2)cs1)N1CCN2CCCC[C@H]2C1	ZINC000328861636	676610010	/nfs/dbraw/zinc/61/00/10/676610010.db2.gz	VMGVCUHZDHPROT-HNNXBMFYSA-N	1	0	365.503	1.691	20	30		FDEDRO
N#CCCCCS(=O)(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000416617190	679693055	/nfs/dbraw/zinc/69/30/55/679693055.db2.gz	QOPSCKRLKZASHS-UHFFFAOYSA-N	1	0	365.499	1.627	20	30		FDEDRO
C[C@H](CNC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)[N@@H+]1CCC[C@@H](C)C1	ZINC000329026305	676616505	/nfs/dbraw/zinc/61/65/05/676616505.db2.gz	JSHKRNLWWLQTHJ-SFFUCWETSA-N	1	0	353.507	1.883	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)CCSC1	ZINC000329046907	676617372	/nfs/dbraw/zinc/61/73/72/676617372.db2.gz	JSUXEWUVWDWQHW-IDCNUPLLSA-N	1	0	371.547	1.590	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](c2nc(C)no2)C2CCOCC2)C1	ZINC000329124381	676621416	/nfs/dbraw/zinc/62/14/16/676621416.db2.gz	LVHCAMPUALHMRQ-LSDHHAIUSA-N	1	0	351.451	1.834	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)CCSC1	ZINC000329171949	676623692	/nfs/dbraw/zinc/62/36/92/676623692.db2.gz	KUAAMNQEBMXHCW-KDOFPFPSSA-N	1	0	368.547	1.861	20	30		FDEDRO
COCc1nc(C)c(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)s1	ZINC000329208025	676625304	/nfs/dbraw/zinc/62/53/04/676625304.db2.gz	YOEFEBHSOMVNBI-CYBMUJFWSA-N	1	0	366.487	1.598	20	30		FDEDRO
C[NH+]1CCN(CCNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)CC1	ZINC000329235136	676627475	/nfs/dbraw/zinc/62/74/75/676627475.db2.gz	IISCCAFZKQFHOL-SJORKVTESA-N	1	0	350.507	1.619	20	30		FDEDRO
C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000329248866	676628487	/nfs/dbraw/zinc/62/84/87/676628487.db2.gz	WVRWRDALWICRNG-AGIUHOORSA-N	1	0	362.396	1.622	20	30		FDEDRO
CO[C@@H]1CCC[C@H]1CNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000329279627	676630542	/nfs/dbraw/zinc/63/05/42/676630542.db2.gz	JYHSIYRANVYSPP-MAUKXSAKSA-N	1	0	352.523	1.864	20	30		FDEDRO
C[C@H](NC(=O)N1CCCC[C@H]1CCNS(C)(=O)=O)C1=CC[N@H+](C)CC1	ZINC000329287728	676631183	/nfs/dbraw/zinc/63/11/83/676631183.db2.gz	HKFJMGFKOZCRRO-HOCLYGCPSA-N	1	0	372.535	1.345	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)C1	ZINC000329315418	676632769	/nfs/dbraw/zinc/63/27/69/676632769.db2.gz	QKNCCKJELLHOBW-HOTGVXAUSA-N	1	0	352.479	1.591	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1CSCN1C(=O)C1CCCC1	ZINC000329342980	676633966	/nfs/dbraw/zinc/63/39/66/676633966.db2.gz	CCOJOMTYQRQWSI-HUUCEWRRSA-N	1	0	354.520	1.280	20	30		FDEDRO
CN(CC(=O)NCC1(C)CC[NH+](C)CC1)S(=O)(=O)c1cccnc1	ZINC000329360564	676635198	/nfs/dbraw/zinc/63/51/98/676635198.db2.gz	YBZCYVIGQPYABY-UHFFFAOYSA-N	1	0	354.476	1.391	20	30		FDEDRO
CC(=O)N1CCC(NC(=O)CN2CCC([NH+]3CCCCC3)CC2)CC1	ZINC000329566389	676644484	/nfs/dbraw/zinc/64/44/84/676644484.db2.gz	STWGSUXUQUASQN-UHFFFAOYSA-N	1	0	350.507	1.904	20	30		FDEDRO
C[C@H](CCNC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)[NH+]1CCCCC1	ZINC000329577133	676644813	/nfs/dbraw/zinc/64/48/13/676644813.db2.gz	SPQNFOFHTKMNEL-CABCVRRESA-N	1	0	360.524	1.179	20	30		FDEDRO
C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000329582958	676645183	/nfs/dbraw/zinc/64/51/83/676645183.db2.gz	LOZNOAGOJBNOFD-JPMUSVJPSA-N	1	0	357.520	1.387	20	30		FDEDRO
Cc1nnc([C@H](C)NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)s1	ZINC000329591430	676645629	/nfs/dbraw/zinc/64/56/29/676645629.db2.gz	UDABGQYFCUKCHR-WCQYABFASA-N	1	0	366.491	1.060	20	30		FDEDRO
CCC[C@]1(CO)CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1	ZINC000329618501	676646232	/nfs/dbraw/zinc/64/62/32/676646232.db2.gz	GEPLMKRZFBKIPJ-AOIWGVFYSA-N	1	0	353.507	1.763	20	30		FDEDRO
O=C(NC[C@@H]1CCCCS1(=O)=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000329644078	676647725	/nfs/dbraw/zinc/64/77/25/676647725.db2.gz	JAGNPCINYDZWOT-HNNXBMFYSA-N	1	0	373.519	1.102	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(Cc2cscn2)CC1)CN1CCOCC1	ZINC000329724872	676651736	/nfs/dbraw/zinc/65/17/36/676651736.db2.gz	BQQAWQGUGWESNS-OAHLLOKOSA-N	1	0	367.519	1.143	20	30		FDEDRO
CCc1nsc(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)n1	ZINC000329774332	676654932	/nfs/dbraw/zinc/65/49/32/676654932.db2.gz	MDQIDZUQYBGXQI-ZIAGYGMSSA-N	1	0	364.519	1.763	20	30		FDEDRO
O=C(N[C@@H]1CCCS(=O)(=O)C1)N1CCC(OCC[NH+]2CCCC2)CC1	ZINC000329778223	676655417	/nfs/dbraw/zinc/65/54/17/676655417.db2.gz	KZLCYHSHQVSJFA-OAHLLOKOSA-N	1	0	373.519	1.054	20	30		FDEDRO
CC(C)CC[NH+]1CCC(CNC(=O)N2CCS(=O)(=O)[C@H](C)C2)CC1	ZINC000329802359	676657383	/nfs/dbraw/zinc/65/73/83/676657383.db2.gz	JFFZBPDRALPYCV-OAHLLOKOSA-N	1	0	359.536	1.777	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cn(C)nc2[C@H]2CCOC2)C1	ZINC000329813529	676658445	/nfs/dbraw/zinc/65/84/45/676658445.db2.gz	CUXNAJWUVMPWMS-LSDHHAIUSA-N	1	0	350.463	1.585	20	30		FDEDRO
CC(C)c1nnc([C@@H]2CN(C(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)CCO2)o1	ZINC000329969058	676666099	/nfs/dbraw/zinc/66/60/99/676666099.db2.gz	XBGWFNAICLBAJI-MJBXVCDLSA-N	1	0	351.451	1.963	20	30		FDEDRO
CCO[C@@H]1C[C@H](O)C12CCN(C(=O)N[C@@H]1CC[N@@H+]3CCCC[C@H]13)CC2	ZINC000330067603	676670810	/nfs/dbraw/zinc/67/08/10/676670810.db2.gz	FRXJVGQWLXQZCK-WCXIOVBPSA-N	1	0	351.491	1.779	20	30		FDEDRO
CC(C)c1nnc2n1CCN(C(=O)NC[C@]1([NH+](C)C)CCSC1)C2	ZINC000330173610	676676621	/nfs/dbraw/zinc/67/66/21/676676621.db2.gz	YOQWFNUZQUQEKU-MRXNPFEDSA-N	1	0	352.508	1.568	20	30		FDEDRO
CC1(C)CN(CCNC(=O)N[C@@H]2CCOC3(CCOCC3)C2)CCO1	ZINC000330217252	676679142	/nfs/dbraw/zinc/67/91/42/676679142.db2.gz	IIGSRPGZATUZHF-OAHLLOKOSA-N	1	0	355.479	1.329	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1	ZINC000330252530	676681148	/nfs/dbraw/zinc/68/11/48/676681148.db2.gz	IKDPXCCYUXNBKG-SNPRPXQTSA-N	1	0	354.451	1.168	20	30		FDEDRO
CC1CC[NH+](C[C@H](O)CNC(=O)c2cn(C)nc2[C@H]2CCOC2)CC1	ZINC000330338226	676684717	/nfs/dbraw/zinc/68/47/17/676684717.db2.gz	VDGHCGWEAURZLO-LSDHHAIUSA-N	1	0	350.463	1.321	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N1CCC([NH+]2CCCCC2)CC1	ZINC000330380232	676687287	/nfs/dbraw/zinc/68/72/87/676687287.db2.gz	UJTXYFPWRJDIES-UHFFFAOYSA-N	1	0	358.508	1.044	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(S(=O)(=O)NC)s2)C1	ZINC000330399236	676688877	/nfs/dbraw/zinc/68/88/77/676688877.db2.gz	CUIRQAYQZASZOJ-LBPRGKRZSA-N	1	0	374.532	1.392	20	30		FDEDRO
CC[N@H+](CCNC(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1)C(C)C	ZINC000330426481	676689795	/nfs/dbraw/zinc/68/97/95/676689795.db2.gz	SQKKWPDXSWPWHC-UHFFFAOYSA-N	1	0	374.551	1.521	20	30		FDEDRO
COC(=O)[C@]1(C)CN(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C	ZINC000330432183	676690492	/nfs/dbraw/zinc/69/04/92/676690492.db2.gz	WVRHVLXJWIFMFR-IIDMSEBBSA-N	1	0	355.479	1.388	20	30		FDEDRO
CCC[NH+]1CCC(CNC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)CC1	ZINC000330484043	676693124	/nfs/dbraw/zinc/69/31/24/676693124.db2.gz	WJRVVGLPRMLUDX-MRXNPFEDSA-N	1	0	374.551	1.284	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC([NH+](C)C)CC2)cc1	ZINC000330722124	676702035	/nfs/dbraw/zinc/70/20/35/676702035.db2.gz	CDTHYDGSJAERKB-CYBMUJFWSA-N	1	0	364.471	1.930	20	30		FDEDRO
C[NH+]1CCN(CCCNC(=O)c2c[nH]c(=O)c(Br)c2)CC1	ZINC000330900123	676708918	/nfs/dbraw/zinc/70/89/18/676708918.db2.gz	OFOFCWJDTKMMPP-UHFFFAOYSA-N	1	0	357.252	1.492	20	30		FDEDRO
C[C@@H]1CCC[C@](CNC(=O)N2CC[C@H](CS(C)(=O)=O)C2)([NH+](C)C)C1	ZINC000331100876	676716704	/nfs/dbraw/zinc/71/67/04/676716704.db2.gz	FSQPHPCLKSOPOJ-VYDXJSESSA-N	1	0	359.536	1.777	20	30		FDEDRO
C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ncccc1S(C)(=O)=O	ZINC000331124594	676717769	/nfs/dbraw/zinc/71/77/69/676717769.db2.gz	CSDLXJRWKCNQHG-OCCSQVGLSA-N	1	0	354.476	1.171	20	30		FDEDRO
COc1cc(OC)c(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1F	ZINC000331337055	676727977	/nfs/dbraw/zinc/72/79/77/676727977.db2.gz	KSAKPSSANBIPLH-UHFFFAOYSA-N	1	0	355.410	1.777	20	30		FDEDRO
CN(C)S(=O)(=O)CCC[N@@H+]1CCCN(c2ccccc2C#N)CC1	ZINC000331513618	676729536	/nfs/dbraw/zinc/72/95/36/676729536.db2.gz	LGUKDCLOKCSFGH-UHFFFAOYSA-N	1	0	350.488	1.352	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1	ZINC000332235139	676737634	/nfs/dbraw/zinc/73/76/34/676737634.db2.gz	QREUXQWXRCJJBQ-IRXDYDNUSA-N	1	0	364.515	1.919	20	30		FDEDRO
C=C(C)[C@@H](Cc1nc(CC(=O)N2CCC([NH+](C)C)CC2)no1)OCC	ZINC000350917621	676845607	/nfs/dbraw/zinc/84/56/07/676845607.db2.gz	VJPQKTDHNGIOFE-OAHLLOKOSA-N	1	0	350.463	1.688	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)CN1CCC(CC[NH+]2CCOCC2)CC1	ZINC000363635105	676966491	/nfs/dbraw/zinc/96/64/91/676966491.db2.gz	RSMDPUYOMSWGBH-IBGZPJMESA-N	1	0	350.507	1.475	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)CN[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C	ZINC000364342204	677009072	/nfs/dbraw/zinc/00/90/72/677009072.db2.gz	MAJVWRLIADTMBN-XMTFNYHQSA-N	1	0	350.507	1.474	20	30		FDEDRO
CN1CCC[C@@]2(CC[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)C1=O	ZINC000364610449	677035205	/nfs/dbraw/zinc/03/52/05/677035205.db2.gz	JWSGMPRGYNTKRN-KDOFPFPSSA-N	1	0	358.467	1.669	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CCC[NH2+]CC2)cc1	ZINC000364644111	677038276	/nfs/dbraw/zinc/03/82/76/677038276.db2.gz	YPFUCLIINJTCKJ-OAHLLOKOSA-N	1	0	351.472	1.365	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC23CCSCC3)CC1	ZINC000422294825	680705558	/nfs/dbraw/zinc/70/55/58/680705558.db2.gz	LTKTWUDHSFBXPT-HNNXBMFYSA-N	1	0	365.543	1.793	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@@H]1CO	ZINC000366658587	677458236	/nfs/dbraw/zinc/45/82/36/677458236.db2.gz	XAKCBYYUONDAAZ-DLBZAZTESA-N	1	0	363.483	1.477	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1	ZINC000367031490	677480695	/nfs/dbraw/zinc/48/06/95/677480695.db2.gz	VUKIZQGULLAMMN-FHWLQOOXSA-N	1	0	350.551	1.757	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)CN(C)C1CC[NH+](C2CCOCC2)CC1	ZINC000368851106	677501973	/nfs/dbraw/zinc/50/19/73/677501973.db2.gz	OLHWXURDDFTIMU-LJQANCHMSA-N	1	0	350.507	1.616	20	30		FDEDRO
N#CC1CCC(CNC(=O)NC[C@]2(N3CCOCC3)CCSC2)CC1	ZINC000369079650	677502925	/nfs/dbraw/zinc/50/29/25/677502925.db2.gz	WZILJNWJMBXBMB-LEOMRAHMSA-N	1	0	366.531	1.823	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)CC1	ZINC000369592012	677506407	/nfs/dbraw/zinc/50/64/07/677506407.db2.gz	OAFAGVAQPWTLDB-KRWDZBQOSA-N	1	0	363.527	1.682	20	30		FDEDRO
C=CCN(C(=O)[C@H](C)NS(C)(=O)=O)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000369938270	677530044	/nfs/dbraw/zinc/53/00/44/677530044.db2.gz	XLROHJIFAPREGH-RDJZCZTQSA-N	1	0	365.499	1.213	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H](N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1=O	ZINC000370226960	677554306	/nfs/dbraw/zinc/55/43/06/677554306.db2.gz	FZSNVIURIKJDPP-HRCADAONSA-N	1	0	360.483	1.256	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)N2CCc3sccc3C2)CC1	ZINC000370794045	677615247	/nfs/dbraw/zinc/61/52/47/677615247.db2.gz	PINIPDJSESSXME-CQSZACIVSA-N	1	0	359.495	1.483	20	30		FDEDRO
CCS(=O)(=O)NCCC[N@@H+]1CCCN(c2ccc(C#N)cc2)CC1	ZINC000371033853	677640492	/nfs/dbraw/zinc/64/04/92/677640492.db2.gz	IEQUPUAJADKNRZ-UHFFFAOYSA-N	1	0	350.488	1.400	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1	ZINC000373273218	678056257	/nfs/dbraw/zinc/05/62/57/678056257.db2.gz	IZHPQOGUAJVTSD-UHFFFAOYSA-N	1	0	371.547	1.930	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1	ZINC000373893240	678068366	/nfs/dbraw/zinc/06/83/66/678068366.db2.gz	XCQOIYIGPTYWIU-BDXSIMOUSA-N	1	0	351.491	1.768	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1	ZINC000374400921	678077901	/nfs/dbraw/zinc/07/79/01/678077901.db2.gz	IFZOWMNTXUSXDD-DJIMGWMZSA-N	1	0	350.488	1.748	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1	ZINC000374416655	678079100	/nfs/dbraw/zinc/07/91/00/678079100.db2.gz	RUHSYVOPVHDLNY-INMHGKMJSA-N	1	0	354.520	1.661	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2)C1	ZINC000374694903	678090047	/nfs/dbraw/zinc/09/00/47/678090047.db2.gz	QZTAMHWLYXWZSB-KRWDZBQOSA-N	1	0	365.499	1.551	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)cc1	ZINC000375050580	678093988	/nfs/dbraw/zinc/09/39/88/678093988.db2.gz	RWJNUORVLKTNGG-YOEHRIQHSA-N	1	0	363.483	1.317	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[N@H+](CC(C)(C)O)CC1	ZINC000376240466	678251362	/nfs/dbraw/zinc/25/13/62/678251362.db2.gz	OWHXPFGZXNBDKH-UHFFFAOYSA-N	1	0	351.472	1.334	20	30		FDEDRO
CNC(=O)CN1CCCN(Cc2ccc(Br)cc2C#N)CC1	ZINC000376534643	678328813	/nfs/dbraw/zinc/32/88/13/678328813.db2.gz	WKMQKYNYEZCMOS-UHFFFAOYSA-N	1	0	365.275	1.574	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@](CO)(C(C)C)C2)CC1	ZINC000377623498	678577099	/nfs/dbraw/zinc/57/70/99/678577099.db2.gz	FEXVZOHCZOEJNI-PKOBYXMFSA-N	1	0	350.507	1.019	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1	ZINC000377673854	678589023	/nfs/dbraw/zinc/58/90/23/678589023.db2.gz	JBOWMOFOLIKLBL-ZBFHGGJFSA-N	1	0	350.850	1.687	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000409493025	678851123	/nfs/dbraw/zinc/85/11/23/678851123.db2.gz	ZFTGSZAKDAOARJ-KRWDZBQOSA-N	1	0	350.488	1.673	20	30		FDEDRO
CC[NH+](CC)[C@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)c1ccccc1	ZINC000409533798	678855031	/nfs/dbraw/zinc/85/50/31/678855031.db2.gz	HSKPWIJZNDWROE-DLBZAZTESA-N	1	0	366.487	1.128	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N(CC[NH+](C)C)Cc1ccccc1F	ZINC000409564743	678861042	/nfs/dbraw/zinc/86/10/42/678861042.db2.gz	CIMUAHBBLKUZCH-OAHLLOKOSA-N	1	0	370.494	1.916	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1	ZINC000409598361	678866508	/nfs/dbraw/zinc/86/65/08/678866508.db2.gz	NXLGWUZFTHUKAA-ZDUSSCGKSA-N	1	0	374.457	1.665	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)N(CC)C[C@H](C)C#N)[C@H](C)C1	ZINC000410124238	678879932	/nfs/dbraw/zinc/87/99/32/678879932.db2.gz	WIIHMPISQGRQNL-ZACQAIPSSA-N	1	0	374.551	1.439	20	30		FDEDRO
CC[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)N(CCC#N)CCOC)C1	ZINC000410131551	678881448	/nfs/dbraw/zinc/88/14/48/678881448.db2.gz	SBOUJHMDEMLJNM-INIZCTEOSA-N	1	0	374.551	1.583	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1	ZINC000410840328	678957032	/nfs/dbraw/zinc/95/70/32/678957032.db2.gz	GCWLAASNHJKEGB-UHFFFAOYSA-N	1	0	350.507	1.038	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NC[C@H](O)COc1cccc(C(F)(F)F)c1	ZINC000424107680	680830093	/nfs/dbraw/zinc/83/00/93/680830093.db2.gz	OOASBIYKLHPJPM-GXTWGEPZSA-N	1	0	359.348	1.582	20	30		FDEDRO
CO[C@@](C)([C@@H](C)[NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)C1CC1	ZINC000411966914	679137747	/nfs/dbraw/zinc/13/77/47/679137747.db2.gz	HJUYJUHOTRMRHL-SUMDDJOVSA-N	1	0	350.507	1.472	20	30		FDEDRO
C=CCCOCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1	ZINC000414371943	679342887	/nfs/dbraw/zinc/34/28/87/679342887.db2.gz	ZGKHVOLZQIJMFK-UHFFFAOYSA-N	1	0	363.277	1.779	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1	ZINC000414897552	679373397	/nfs/dbraw/zinc/37/33/97/679373397.db2.gz	RNSNFEYJEBPRMD-CJNGLKHVSA-N	1	0	366.487	1.613	20	30		FDEDRO
C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	ZINC000415341177	679411349	/nfs/dbraw/zinc/41/13/49/679411349.db2.gz	GOJNJAOWRIOPBM-NSHDSACASA-N	1	0	355.423	1.441	20	30		FDEDRO
CC[NH2+]CCNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000415365165	679415354	/nfs/dbraw/zinc/41/53/54/679415354.db2.gz	IRZWMMULMCALLK-UHFFFAOYSA-N	1	0	358.320	1.164	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)cc1Br	ZINC000415380574	679419058	/nfs/dbraw/zinc/41/90/58/679419058.db2.gz	PMGDDUYZTMWKIG-LLVKDONJSA-N	1	0	351.204	1.127	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@H](CC[NH3+])C(F)F)n1	ZINC000415451637	679433148	/nfs/dbraw/zinc/43/31/48/679433148.db2.gz	XRBAPHPAZFVQPD-LLVKDONJSA-N	1	0	352.320	1.987	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1Br	ZINC000415649236	679471504	/nfs/dbraw/zinc/47/15/04/679471504.db2.gz	PMCPVGXXHMETPW-GHMZBOCLSA-N	1	0	365.231	1.645	20	30		FDEDRO
CC(C)[C@H]1CCc2c(C#N)c(NC(=O)C(=O)N(C)C3C[NH2+]C3)sc2C1	ZINC000415736522	679489185	/nfs/dbraw/zinc/48/91/85/679489185.db2.gz	OBUVYZGHPDWQKP-NSHDSACASA-N	1	0	360.483	1.749	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](CC[NH3+])C(F)F	ZINC000415783500	679500280	/nfs/dbraw/zinc/50/02/80/679500280.db2.gz	GHTPBHAOZBIWFB-LLVKDONJSA-N	1	0	354.357	1.383	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)c1	ZINC000415869428	679530557	/nfs/dbraw/zinc/53/05/57/679530557.db2.gz	NENJAQBJHQHPCF-LLVKDONJSA-N	1	0	352.341	1.356	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)c1ccc(C#N)nc1	ZINC000416563659	679654648	/nfs/dbraw/zinc/65/46/48/679654648.db2.gz	YGUCLDCWSJGNAO-UHFFFAOYSA-N	1	0	350.469	1.767	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCCSCc2ccccc2C#N)C1	ZINC000418921117	680153573	/nfs/dbraw/zinc/15/35/73/680153573.db2.gz	LTKAKGFGXDLNJR-UKRRQHHQSA-N	1	0	360.483	1.103	20	30		FDEDRO
C[C@H]1C[N@H+](CCO)[C@@H](C)CN1CC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000419350839	680242680	/nfs/dbraw/zinc/24/26/80/680242680.db2.gz	ZVFBDJKIONCAOY-STQMWFEESA-N	1	0	350.850	1.537	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N1CCCC[C@H]1C[NH3+]	ZINC000420411354	680441865	/nfs/dbraw/zinc/44/18/65/680441865.db2.gz	BSIOQCCJNPVVIB-JTQLQIEISA-N	1	0	358.261	1.823	20	30		FDEDRO
C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000420421132	680444558	/nfs/dbraw/zinc/44/45/58/680444558.db2.gz	FPHNJZLDKWMXAY-ZANVPECISA-N	1	0	358.261	1.597	20	30		FDEDRO
C[C@@H]1[NH2+]CCN(S(=O)(=O)c2cccc(Br)c2C#N)[C@H]1C	ZINC000420438945	680451484	/nfs/dbraw/zinc/45/14/84/680451484.db2.gz	WEIKGMWOXABHSR-UWVGGRQHSA-N	1	0	358.261	1.692	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)c2cccc(Br)c2C#N)CC[C@H]1[NH3+]	ZINC000420440971	680452491	/nfs/dbraw/zinc/45/24/91/680452491.db2.gz	CHBMKCVYQCLGLU-JOYOIKCWSA-N	1	0	358.261	1.679	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1	ZINC000421017700	680589083	/nfs/dbraw/zinc/58/90/83/680589083.db2.gz	LYICEKQIYYUGPO-HZSPNIEDSA-N	1	0	353.463	1.686	20	30		FDEDRO
C=CCC1(C(=O)N[C@H]2CC(=O)N(CC[N@@H+](C)CCOC)C2)CCCC1	ZINC000425309159	680893692	/nfs/dbraw/zinc/89/36/92/680893692.db2.gz	CWKKJKUSAUYMTG-INIZCTEOSA-N	1	0	351.491	1.418	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ncc(C(=O)OC)s2)CC1	ZINC000425446487	680901737	/nfs/dbraw/zinc/90/17/37/680901737.db2.gz	FCXARJBKVITOQQ-NSHDSACASA-N	1	0	352.460	1.940	20	30		FDEDRO
CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc(C#N)cc1	ZINC000429725140	681046242	/nfs/dbraw/zinc/04/62/42/681046242.db2.gz	RUITWUPLYOBLLC-HOTGVXAUSA-N	1	0	364.471	1.337	20	30		FDEDRO
C=C(C)CS(=O)(=O)N1CCC(C(=O)NCCC[NH+](CC)CC)CC1	ZINC000435433627	681593226	/nfs/dbraw/zinc/59/32/26/681593226.db2.gz	TUPDRSVDBKTEMI-UHFFFAOYSA-N	1	0	359.536	1.452	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CC(C)(C)CN1CCOCC1	ZINC000443657507	682328622	/nfs/dbraw/zinc/32/86/22/682328622.db2.gz	MMORGTHVMDBKQL-QFBILLFUSA-N	1	0	352.523	1.720	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c1	ZINC000449640535	682692871	/nfs/dbraw/zinc/69/28/71/682692871.db2.gz	SHUNISJMYRBVMA-DZGCQCFKSA-N	1	0	351.472	1.398	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1	ZINC000449726124	682706483	/nfs/dbraw/zinc/70/64/83/682706483.db2.gz	WSVCTSNZUSCGCN-LBPRGKRZSA-N	1	0	365.377	1.160	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(CC#N)cc1Cl	ZINC000451173066	682835781	/nfs/dbraw/zinc/83/57/81/682835781.db2.gz	VCICDNBQRCPSQH-ZDUSSCGKSA-N	1	0	370.906	1.320	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(CC#N)cc1Cl	ZINC000451173065	682835851	/nfs/dbraw/zinc/83/58/51/682835851.db2.gz	VCICDNBQRCPSQH-CYBMUJFWSA-N	1	0	370.906	1.320	20	30		FDEDRO
CCO[C@@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C[C@@H]1C	ZINC000451542706	682898415	/nfs/dbraw/zinc/89/84/15/682898415.db2.gz	OAAWCQGGBJOUFL-OKZBNKHCSA-N	1	0	350.507	1.426	20	30		FDEDRO
CCOC[C@H]1CCCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000459694728	684445001	/nfs/dbraw/zinc/44/50/01/684445001.db2.gz	AHQAQOCRXPEVJI-QZTJIDSGSA-N	1	0	350.507	1.570	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1	ZINC000462491857	684643571	/nfs/dbraw/zinc/64/35/71/684643571.db2.gz	SKVCOOFWWPJYJQ-ZFWWWQNUSA-N	1	0	351.472	1.363	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1	ZINC000462883159	684665411	/nfs/dbraw/zinc/66/54/11/684665411.db2.gz	JUZYUHPRPPWTSQ-DLBZAZTESA-N	1	0	363.483	1.269	20	30		FDEDRO
COCC[C@H](C)S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000463700046	684703645	/nfs/dbraw/zinc/70/36/45/684703645.db2.gz	GZDKPYAECKZRPK-HNNXBMFYSA-N	1	0	353.488	1.677	20	30		FDEDRO
O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](CCOCC(F)(F)C(F)F)C1	ZINC000469779071	684986164	/nfs/dbraw/zinc/98/61/64/684986164.db2.gz	HVFQYDOGEXKOKQ-MRVPVSSYSA-N	1	0	354.266	1.904	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C[C@H]1C	ZINC000472323687	685197328	/nfs/dbraw/zinc/19/73/28/685197328.db2.gz	FLYYOANADRBGHM-OLZOCXBDSA-N	1	0	366.443	1.960	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)NCC(C)(C)C[NH+]1CCCC1	ZINC000480763363	686223325	/nfs/dbraw/zinc/22/33/25/686223325.db2.gz	VSAMKPFFDTUWGF-UHFFFAOYSA-N	1	0	351.472	1.967	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCSCC[C@H]3C)CC2)o1	ZINC000502851028	688307244	/nfs/dbraw/zinc/30/72/44/688307244.db2.gz	DPDRHLGFSINXME-CYBMUJFWSA-N	1	0	363.487	1.331	20	30		FDEDRO
C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC(C)(C)C#N)cc1Cl	ZINC000510687825	689409890	/nfs/dbraw/zinc/40/98/90/689409890.db2.gz	YKHFYOQKYAQVHA-UHFFFAOYSA-N	1	0	366.849	1.885	20	30		FDEDRO
C[C@@H](C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)n1cnc(C#N)n1	ZINC000515305336	689839199	/nfs/dbraw/zinc/83/91/99/689839199.db2.gz	UGXPHFSNESFHFF-JSGCOSHPSA-N	1	0	360.849	1.826	20	30		FDEDRO
C[NH2+]CCCC(=O)N1CCC(NC(=O)NCC(C)(C)CCC#N)CC1	ZINC000516939196	690012365	/nfs/dbraw/zinc/01/23/65/690012365.db2.gz	PGIHGDRKBQHSJG-UHFFFAOYSA-N	1	0	351.495	1.606	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)Nc1cccc(C#N)n1	ZINC000517368424	690059742	/nfs/dbraw/zinc/05/97/42/690059742.db2.gz	HDBWMKORIPQPRP-UHFFFAOYSA-N	1	0	357.439	1.544	20	30		FDEDRO
N#Cc1ccc(CSCC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)cc1	ZINC000520765282	690354368	/nfs/dbraw/zinc/35/43/68/690354368.db2.gz	ZWXWFWKRWLPKPP-MRXNPFEDSA-N	1	0	360.483	1.247	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)cnc1C(F)(F)F	ZINC000520836480	690360950	/nfs/dbraw/zinc/36/09/50/690360950.db2.gz	PLTFRBTYXNGPOX-HNNXBMFYSA-N	1	0	354.332	1.159	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1	ZINC000521859334	694442018	/nfs/dbraw/zinc/44/20/18/694442018.db2.gz	SIYLBROXZCIYLF-OAHLLOKOSA-N	1	0	360.845	1.797	20	30		FDEDRO
CS(=O)(=O)[C@@H]1CCCCN(C[C@@H](O)COc2ccccc2C#N)C1	ZINC000528479402	694721673	/nfs/dbraw/zinc/72/16/73/694721673.db2.gz	WZVWORCLZJOITN-HZPDHXFCSA-N	1	0	352.456	1.197	20	30		FDEDRO
N#Cc1ccc(Cc2cnc(NC(=O)NC[C@@H]3COCC[NH2+]3)s2)cc1	ZINC000528668998	694741682	/nfs/dbraw/zinc/74/16/82/694741682.db2.gz	RJYPUAINYOMHKU-CQSZACIVSA-N	1	0	357.439	1.715	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[NH2+]C[C@H]2C(C)C)c1	ZINC000638484011	695362925	/nfs/dbraw/zinc/36/29/25/695362925.db2.gz	MJFSUZFKQGVONM-INIZCTEOSA-N	1	0	351.472	1.221	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1N1CCC(OCC[NH+](C)C)CC1	ZINC000641373893	696075108	/nfs/dbraw/zinc/07/51/08/696075108.db2.gz	ZLJBOEPXOHTATO-UHFFFAOYSA-N	1	0	367.515	1.698	20	30		FDEDRO
CSc1nc(-c2ccccc2)nc(N2CCN3CC[NH2+]C[C@@H]3C2)c1C#N	ZINC001164398514	718836196	/nfs/dbraw/zinc/83/61/96/718836196.db2.gz	GJVGVTWUOWPQSU-OAHLLOKOSA-N	1	0	366.494	1.831	20	30		FDEDRO
N#Cc1cnc(Cl)cc1C(F)(F)N1CCCO[C@]2(C[NH2+]CCOC2)C1	ZINC001164424290	718914328	/nfs/dbraw/zinc/91/43/28/718914328.db2.gz	MRZAKFTYMMRNDI-OAHLLOKOSA-N	1	0	372.803	1.737	20	30		FDEDRO
CCOC(=O)C1CC[NH+](C2CCN(c3ncc(C)nc3C#N)CC2)CC1	ZINC001164617865	719031055	/nfs/dbraw/zinc/03/10/55/719031055.db2.gz	QHWCGFWLGNRYHG-UHFFFAOYSA-N	1	0	357.458	1.901	20	30		FDEDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(C#N)c(OC)n1)C2	ZINC001164809772	720090068	/nfs/dbraw/zinc/09/00/68/720090068.db2.gz	KCCCPFLCSSEDHZ-VQIMIIECSA-N	1	0	357.458	1.542	20	30		FDEDRO
Cc1nc(C#N)cnc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1	ZINC001164828889	720333500	/nfs/dbraw/zinc/33/35/00/720333500.db2.gz	KEVSNKDNEHWPHK-ROUUACIJSA-N	1	0	368.485	1.568	20	30		FDEDRO
N#Cc1cnc(Cl)cc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164738305	720628450	/nfs/dbraw/zinc/62/84/50/720628450.db2.gz	BUANUJKYEQXKOB-ZIAGYGMSSA-N	1	0	356.817	1.739	20	30		FDEDRO
N#Cc1c(Cl)ccnc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164739169	720653451	/nfs/dbraw/zinc/65/34/51/720653451.db2.gz	FURBQVMQPNNMCN-QWHCGFSZSA-N	1	0	356.817	1.739	20	30		FDEDRO
Cc1cc(C#N)c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1C	ZINC001164738429	720673082	/nfs/dbraw/zinc/67/30/82/720673082.db2.gz	JPGLDKDIJWCYLB-IAGOWNOFSA-N	1	0	350.426	1.702	20	30		FDEDRO
C=CCOc1cc(C)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1	ZINC001164741583	720700998	/nfs/dbraw/zinc/70/09/98/720700998.db2.gz	UGSOKQYULBWILY-HZPDHXFCSA-N	1	0	368.441	1.482	20	30		FDEDRO
N#Cc1cc(Cl)cnc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164737542	720740061	/nfs/dbraw/zinc/74/00/61/720740061.db2.gz	CJALBVVPJQEGFS-CABCVRRESA-N	1	0	356.817	1.739	20	30		FDEDRO
Cc1cc(C#N)c(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)nc1C	ZINC001164751457	720952854	/nfs/dbraw/zinc/95/28/54/720952854.db2.gz	SHDFSRKAFPQWNY-UHFFFAOYSA-N	1	0	368.441	1.412	20	30		FDEDRO
N#Cc1cc(F)cnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164870952	721059549	/nfs/dbraw/zinc/05/95/49/721059549.db2.gz	XNLJHFKOXHVJFH-ROUUACIJSA-N	1	0	353.401	1.967	20	30		FDEDRO
CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nccnc4C#N)C3)O2)CC1	ZINC001164890930	721383027	/nfs/dbraw/zinc/38/30/27/721383027.db2.gz	PJZWNMUUEILBEH-LPHOPBHVSA-N	1	0	356.474	1.114	20	30		FDEDRO
CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nccc(C#N)c4F)C3)O2)CC1	ZINC001164886322	721410392	/nfs/dbraw/zinc/41/03/92/721410392.db2.gz	JALQFWKSRWXLHU-FXAWDEMLSA-N	1	0	373.476	1.858	20	30		FDEDRO
Cc1nc(C#N)cnc1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2	ZINC001164897383	721428466	/nfs/dbraw/zinc/42/84/66/721428466.db2.gz	TXGYAAWNRCLXOI-AZUAARDMSA-N	1	0	370.501	1.422	20	30		FDEDRO
Cc1nc(C#N)cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1	ZINC001164977157	722155337	/nfs/dbraw/zinc/15/53/37/722155337.db2.gz	XTJGWQPYXHJCAV-IEBWSBKVSA-N	1	0	364.453	1.779	20	30		FDEDRO
C[NH+](C)CCOCc1ncn2c1CN(c1ncc(F)cc1C#N)CCC2	ZINC001165000603	722251484	/nfs/dbraw/zinc/25/14/84/722251484.db2.gz	UABVMTBKLWLODX-UHFFFAOYSA-N	1	0	358.421	1.777	20	30		FDEDRO
C[NH+](C)CCOCc1ncn2c1CN(c1nccc(C#N)c1F)CCC2	ZINC001165002960	722253483	/nfs/dbraw/zinc/25/34/83/722253483.db2.gz	YQARIUSCHVFKEE-UHFFFAOYSA-N	1	0	358.421	1.777	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2conc2C)C1=O	ZINC001087208192	782675704	/nfs/dbraw/zinc/67/57/04/782675704.db2.gz	RLXSPJSRPYOLRT-UKPHBRMFSA-N	1	0	360.458	1.600	20	30		FDEDRO
N#CCOc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)cc1	ZINC001022726730	782681838	/nfs/dbraw/zinc/68/18/38/782681838.db2.gz	HIMOYECBMQNDHB-TWMKSMIVSA-N	1	0	370.453	1.227	20	30		FDEDRO
CCOc1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC#CCOC)C2)on1	ZINC001112472714	769407688	/nfs/dbraw/zinc/40/76/88/769407688.db2.gz	FLURHKFUNQGOAK-KXBFYZLASA-N	1	0	361.442	1.555	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+](C)C	ZINC000969217401	769443015	/nfs/dbraw/zinc/44/30/15/769443015.db2.gz	URBISMGNSOIBQF-WKULXVSPSA-N	1	0	363.502	1.366	20	30		FDEDRO
Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C1	ZINC001022734384	782768404	/nfs/dbraw/zinc/76/84/04/782768404.db2.gz	UDZJANXZDSBXTN-NOXHYTERSA-N	1	0	355.467	1.894	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1	ZINC000274750925	769841185	/nfs/dbraw/zinc/84/11/85/769841185.db2.gz	HFEJOVQERMGYKR-INIZCTEOSA-N	1	0	355.438	1.724	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCO[C@@H]3C[N@H+](CC[C@H]4CCOC4)C[C@@H]32)c1	ZINC001083188392	769982908	/nfs/dbraw/zinc/98/29/08/769982908.db2.gz	SQFLHONQDPOKFU-YTQUADARSA-N	1	0	355.438	1.015	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C2)c1	ZINC000969391082	770062024	/nfs/dbraw/zinc/06/20/24/770062024.db2.gz	WLFANDASNJGFNC-KURKYZTESA-N	1	0	370.453	1.062	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccnn2C)C1	ZINC000969424619	770160591	/nfs/dbraw/zinc/16/05/91/770160591.db2.gz	PVCFYVMDJXOCIZ-JHJVBQTASA-N	1	0	353.264	1.623	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)cc1F	ZINC000969431565	770190163	/nfs/dbraw/zinc/19/01/63/770190163.db2.gz	FJPLNWKMESJBGK-MJQMVNBJSA-N	1	0	373.428	1.439	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CN(C)c2cccc(F)c2C#N)CC[N@@H+]1C	ZINC001125298669	770227239	/nfs/dbraw/zinc/22/72/39/770227239.db2.gz	GIKGWXPEVODUTB-RBSFLKMASA-N	1	0	362.449	1.293	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1C	ZINC001104225551	770365559	/nfs/dbraw/zinc/36/55/59/770365559.db2.gz	RRMKTUKRNZNEDB-SJLPKXTDSA-N	1	0	358.486	1.903	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2ccccn2)C1=O	ZINC001087109947	770438921	/nfs/dbraw/zinc/43/89/21/770438921.db2.gz	NWDMPXAUPHPQIQ-RYRKJORJSA-N	1	0	356.470	1.699	20	30		FDEDRO
C=CC[C@H]1CC[N@@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000934470567	782841317	/nfs/dbraw/zinc/84/13/17/782841317.db2.gz	GKQYJFCOCOSUMR-INIZCTEOSA-N	1	0	366.483	1.737	20	30		FDEDRO
Cc1ccc([C@H](CN2CCOCC2)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)cc1	ZINC000511127034	782843275	/nfs/dbraw/zinc/84/32/75/782843275.db2.gz	SULJLECCFPRUAP-PZJWPPBQSA-N	1	0	370.497	1.766	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)[C@H]3CCC[N@@H+](CCC)C3)[C@@H](O)C2)C1	ZINC000969899487	771049394	/nfs/dbraw/zinc/04/93/94/771049394.db2.gz	BCEQYRUOFORLQD-BBWFWOEESA-N	1	0	363.502	1.153	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ncnn2C(C)C)C1	ZINC001020716334	771293358	/nfs/dbraw/zinc/29/33/58/771293358.db2.gz	QGJPIZKSKJRNFY-OVWQWFNUSA-N	1	0	361.490	1.967	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCN(C(C)(C)C)C2=O)C1	ZINC001020726402	771304235	/nfs/dbraw/zinc/30/42/35/771304235.db2.gz	JRPSIULMPUEVDA-VIQHNZTISA-N	1	0	363.502	1.604	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ncnn2CC(F)F)C1	ZINC001020726684	771307758	/nfs/dbraw/zinc/30/77/58/771307758.db2.gz	RXVGNMNSFKDXNH-QCQGSNGOSA-N	1	0	369.416	1.261	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2CCC)CC1	ZINC001167118127	771372962	/nfs/dbraw/zinc/37/29/62/771372962.db2.gz	BBBSSIFUTCCKOM-HUUCEWRRSA-N	1	0	364.490	1.311	20	30		FDEDRO
O=C(NCc1ccc(N2CCOCC2)nc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000328652877	771462589	/nfs/dbraw/zinc/46/25/89/771462589.db2.gz	KTZCOFVNFARBGJ-SJORKVTESA-N	1	0	359.474	1.549	20	30		FDEDRO
N#CCCn1ncc(C(=O)NCC[N@@H+]2CCCOCC2)c1-c1ccccc1	ZINC000430344343	771649491	/nfs/dbraw/zinc/64/94/91/771649491.db2.gz	OIZYVUHNMGTASB-UHFFFAOYSA-N	1	0	367.453	1.916	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2ccnc3[nH]cnc32)C[C@H]1C	ZINC001104246890	771806249	/nfs/dbraw/zinc/80/62/49/771806249.db2.gz	LQJJWEPFEGQSDR-HUUCEWRRSA-N	1	0	357.458	1.848	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn(C)c(=O)cn1)C2	ZINC001112480983	771851872	/nfs/dbraw/zinc/85/18/72/771851872.db2.gz	AKFOCBREDCAXLC-GUYCJALGSA-N	1	0	350.850	1.365	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]C[C@H]2CCc3ncnn32)CC1	ZINC001167277078	771854932	/nfs/dbraw/zinc/85/49/32/771854932.db2.gz	AJMMYRVNLCGADR-OAGGEKHMSA-N	1	0	359.474	1.233	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)NCC(C)(C)C)CC1	ZINC001167277188	771855531	/nfs/dbraw/zinc/85/55/31/771855531.db2.gz	DCJNMRNIHKUUQV-CVEARBPZSA-N	1	0	365.518	1.616	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)C2	ZINC001112481822	771977935	/nfs/dbraw/zinc/97/79/35/771977935.db2.gz	WHYVHUGUOVNBMJ-CLWJZODNSA-N	1	0	361.486	1.041	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](n2cc(C[NH2+]CC3CC3)nn2)C1	ZINC001075377536	772009541	/nfs/dbraw/zinc/00/95/41/772009541.db2.gz	GNIRHTMGYCVJET-KSZLIROESA-N	1	0	359.474	1.532	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2snnc2C)C1	ZINC000970220733	772129716	/nfs/dbraw/zinc/12/97/16/772129716.db2.gz	JLDNHAIRDDVETQ-YCPHGPKFSA-N	1	0	350.488	1.908	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)nn2)C1	ZINC000970220520	772129810	/nfs/dbraw/zinc/12/98/10/772129810.db2.gz	BBBSQGGOPMUEOU-RYRKJORJSA-N	1	0	360.458	1.547	20	30		FDEDRO
C[NH+](C)CCn1ncc(C(=O)N2CCO[C@@H](C#N)C2)c1-c1ccccc1	ZINC000277681271	782989767	/nfs/dbraw/zinc/98/97/67/782989767.db2.gz	MZDKUIMWVMQJCT-INIZCTEOSA-N	1	0	353.426	1.476	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1C[C@H](C)N(CC)C[C@H]1C	ZINC000784965347	772198848	/nfs/dbraw/zinc/19/88/48/772198848.db2.gz	LBLCLRVUFHZLSK-UONOGXRCSA-N	1	0	361.417	1.717	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1	ZINC000970270349	772226227	/nfs/dbraw/zinc/22/62/27/772226227.db2.gz	PIWZLVKNRQGULA-SJORKVTESA-N	1	0	365.518	1.397	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCOC)C2)C[C@H]1C	ZINC001104259459	772499458	/nfs/dbraw/zinc/49/94/58/772499458.db2.gz	OKVIGRSEICCFOX-KURKYZTESA-N	1	0	365.518	1.522	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)C[C@H]1C	ZINC001104259643	772500957	/nfs/dbraw/zinc/50/09/57/772500957.db2.gz	YCFBGYUOWGXPBF-KZNAEPCWSA-N	1	0	365.518	1.522	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)[C@H](C[NH2+]Cc2ccc(C#N)cc2F)C1	ZINC001087214211	783019324	/nfs/dbraw/zinc/01/93/24/783019324.db2.gz	KVEOZYWOASANFC-ZFVVBOAOSA-N	1	0	372.444	1.535	20	30		FDEDRO
COC(=O)[C@@H]1CN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC[N@H+](C)C1	ZINC000413391846	772701935	/nfs/dbraw/zinc/70/19/35/772701935.db2.gz	BRJCUPARWIPTMB-IRXDYDNUSA-N	1	0	358.442	1.778	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)n2nnnc2C(C)(C)C)C[C@H]1C	ZINC001104276682	772729737	/nfs/dbraw/zinc/72/97/37/772729737.db2.gz	FTXPYQZXIBFJHT-BZUAXINKSA-N	1	0	360.506	1.629	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C2)CCC1	ZINC001104279595	772754986	/nfs/dbraw/zinc/75/49/86/772754986.db2.gz	GMJUFJDSKNTPQO-HZPDHXFCSA-N	1	0	354.516	1.299	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CCN(C)C(C)(C)C2)cc1C#N	ZINC000891008388	772815911	/nfs/dbraw/zinc/81/59/11/772815911.db2.gz	SGUOUBVWLJMVOE-UHFFFAOYSA-N	1	0	358.442	1.837	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)Cc2cc(C3CC3)no2)C[C@H]1C	ZINC001104284278	772839472	/nfs/dbraw/zinc/83/94/72/772839472.db2.gz	YNGIMHIEXLDVNP-NVXWUHKLSA-N	1	0	359.470	1.819	20	30		FDEDRO
C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC000970557893	772945260	/nfs/dbraw/zinc/94/52/60/772945260.db2.gz	OZSBSSCRKGLETH-UCLAIMLFSA-N	1	0	356.470	1.614	20	30		FDEDRO
[NH3+]C[C@@H](NC(=O)N1CCN(CC(F)(F)C(F)F)CC1)C(F)(F)F	ZINC000655917900	772955184	/nfs/dbraw/zinc/95/51/84/772955184.db2.gz	YYAFDQCRUMALAH-SSDOTTSWSA-N	1	0	354.270	1.104	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCn2nc(C)cc2C)C1	ZINC000970572593	772990688	/nfs/dbraw/zinc/99/06/88/772990688.db2.gz	WODVQPHQPUOHII-WDSOQIARSA-N	1	0	360.502	1.918	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1	ZINC001021414701	773253472	/nfs/dbraw/zinc/25/34/72/773253472.db2.gz	CHHQWRNLFQUYGQ-BMGDILEWSA-N	1	0	369.469	1.432	20	30		FDEDRO
C#CC1(F)CN(C(=O)C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)C1	ZINC000891175316	773544780	/nfs/dbraw/zinc/54/47/80/773544780.db2.gz	VCSBQQOTQUFEHL-KRWDZBQOSA-N	1	0	370.428	1.093	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)N(C)C)C[C@H]1C	ZINC001104289985	773663786	/nfs/dbraw/zinc/66/37/86/773663786.db2.gz	VYJFWPYWWXIXPH-DJIMGWMZSA-N	1	0	367.925	1.640	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](CCC)S(N)(=O)=O)C2	ZINC001112492898	773725641	/nfs/dbraw/zinc/72/56/41/773725641.db2.gz	JTZRMMGZGQTTKT-JZXOWHBKSA-N	1	0	371.547	1.628	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2c(C)oc3nc[nH]c(=O)c32)C[C@H]1C	ZINC001104294159	773878878	/nfs/dbraw/zinc/87/88/78/773878878.db2.gz	ZDFGRBOMBMYYGQ-TZMCWYRMSA-N	1	0	356.426	1.948	20	30		FDEDRO
COC(OC)c1c(C#N)ccnc1N(Cc1ccccc1)C1(C[NH3+])COC1	ZINC001167368731	773925732	/nfs/dbraw/zinc/92/57/32/773925732.db2.gz	YVLKUDXEAVLOLS-UHFFFAOYSA-N	1	0	368.437	1.979	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCNC(=O)CC1)C2	ZINC001112494827	773940725	/nfs/dbraw/zinc/94/07/25/773940725.db2.gz	XDXAIEGWZKLYDQ-VKJFTORMSA-N	1	0	353.894	1.874	20	30		FDEDRO
C=CCNC(=S)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000748158245	773999966	/nfs/dbraw/zinc/99/99/66/773999966.db2.gz	FHSRWNYDDYOZEW-KRWDZBQOSA-N	1	0	359.543	1.976	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2COCCO2)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087125095	774024857	/nfs/dbraw/zinc/02/48/57/774024857.db2.gz	ARYKRIYVWRORBI-AYOQOUSVSA-N	1	0	357.454	1.690	20	30		FDEDRO
CN(C)c1ccc([C@H](CNC(=O)CNc2ccc(C#N)cn2)[NH+](C)C)cc1	ZINC000891247133	774092257	/nfs/dbraw/zinc/09/22/57/774092257.db2.gz	FOBDMOZWJRCVLG-SFHVURJKSA-N	1	0	366.469	1.850	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N2CC[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]32)CC1	ZINC001021636660	774322556	/nfs/dbraw/zinc/32/25/56/774322556.db2.gz	VNJXWIGGXSGHQV-MAUKXSAKSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCS(=O)(=O)CC	ZINC001111488563	774329350	/nfs/dbraw/zinc/32/93/50/774329350.db2.gz	NUEOCGQCDAZZKU-FPCVCCKLSA-N	1	0	358.504	1.124	20	30		FDEDRO
COc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1-n1nnnc1C	ZINC000328748300	774623022	/nfs/dbraw/zinc/62/30/22/774623022.db2.gz	LYYGFQJSCSINRI-GJZGRUSLSA-N	1	0	371.445	1.741	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2nccnc2N)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087137938	774764302	/nfs/dbraw/zinc/76/43/02/774764302.db2.gz	OUOUSIKBYTVTOH-PBHICJAKSA-N	1	0	364.453	1.961	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(=O)N(CC)CC)CC1	ZINC001167435066	774827958	/nfs/dbraw/zinc/82/79/58/774827958.db2.gz	FYMJSLFIVLEQQO-WMZOPIPTSA-N	1	0	365.518	1.712	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(=O)NCCC)CC1	ZINC001167435240	774843056	/nfs/dbraw/zinc/84/30/56/774843056.db2.gz	OVPNUIFUSXWEAG-RDJZCZTQSA-N	1	0	351.491	1.370	20	30		FDEDRO
CCC(=O)N[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001111757737	774988325	/nfs/dbraw/zinc/98/83/25/774988325.db2.gz	MXHIAFPGWHSNSC-JLMWRMLUSA-N	1	0	367.493	1.924	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnc3n[nH]cc3c2)C[C@H]1C	ZINC001104335561	775647830	/nfs/dbraw/zinc/64/78/30/775647830.db2.gz	FSQMKCAEBOCWKE-HUUCEWRRSA-N	1	0	355.442	1.296	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3nc(C)ncc3Cl)[C@H]2C1	ZINC001083215337	775708900	/nfs/dbraw/zinc/70/89/00/775708900.db2.gz	TVVJITSPHRNMHR-LSDHHAIUSA-N	1	0	350.850	1.930	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)Cn2c(=O)[nH]c3ccccc32)C[C@H]1C	ZINC001104724735	790398314	/nfs/dbraw/zinc/39/83/14/790398314.db2.gz	COTCIZMDKJYZDP-HZPDHXFCSA-N	1	0	354.454	1.839	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H](C[NH2+]C[C@H]2CCc3ncnn32)C1	ZINC001087151096	775994571	/nfs/dbraw/zinc/99/45/71/775994571.db2.gz	WNJBSDOACAPPGL-BMFZPTHFSA-N	1	0	367.457	1.496	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1nc(C)no1)C2	ZINC001112503323	776104881	/nfs/dbraw/zinc/10/48/81/776104881.db2.gz	JZZYVDMDGOKYBE-LPHOPBHVSA-N	1	0	362.474	1.732	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)c4ncoc4C)C[C@H]32)CC1	ZINC001021883184	776481841	/nfs/dbraw/zinc/48/18/41/776481841.db2.gz	APEFXUWDAJSBQC-DLBZAZTESA-N	1	0	370.453	1.001	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C(C)(C)C4CC4)C[C@H]32)CC1	ZINC001021883853	776487481	/nfs/dbraw/zinc/48/74/81/776487481.db2.gz	MYBMMIWLKWSJQF-PKOBYXMFSA-N	1	0	371.525	1.827	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)c4c[nH]cc4C)C[C@H]32)CC1	ZINC001021886709	776502313	/nfs/dbraw/zinc/50/23/13/776502313.db2.gz	PQKOQWNFKBMBNU-PKOBYXMFSA-N	1	0	368.481	1.341	20	30		FDEDRO
C=CCn1cc(C(=O)N2CCO[C@@H]3C[N@@H+]([C@@H](C)c4ccccc4)C[C@@H]32)nn1	ZINC001083217719	776592270	/nfs/dbraw/zinc/59/22/70/776592270.db2.gz	LZUOFEHZIKHFTP-ZYSHUDEJSA-N	1	0	367.453	1.751	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)NCc2cc(F)cc3c2OCOC3)CC1	ZINC000328780817	776743271	/nfs/dbraw/zinc/74/32/71/776743271.db2.gz	UNLDOXCFHGOTOH-UHFFFAOYSA-N	1	0	367.421	1.807	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000892710762	790478285	/nfs/dbraw/zinc/47/82/85/790478285.db2.gz	BLYHLBIKESDIJB-MSOLQXFVSA-N	1	0	368.485	1.800	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)CCC1	ZINC000933302445	777061824	/nfs/dbraw/zinc/06/18/24/777061824.db2.gz	GXXGJVCGVDXCDS-UHFFFAOYSA-N	1	0	354.454	1.898	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2ccccc2)C[C@H]1C	ZINC001104358795	777083813	/nfs/dbraw/zinc/08/38/13/777083813.db2.gz	OUCSCNKAHQRSNX-ZHALLVOQSA-N	1	0	357.498	1.994	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H]2CCC(=O)NC2)C1	ZINC001075422365	777286420	/nfs/dbraw/zinc/28/64/20/777286420.db2.gz	ZQZFBGVEMSFWHJ-YQVWRLOYSA-N	1	0	371.456	1.507	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cnnn2C)[C@H](C[NH2+]Cc2ccc(C#N)s2)C1	ZINC001087159662	777527596	/nfs/dbraw/zinc/52/75/96/777527596.db2.gz	BOWXPLUSBJXFMN-OLZOCXBDSA-N	1	0	358.471	1.779	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C(N)=O)cc2)C1	ZINC000971555313	777594133	/nfs/dbraw/zinc/59/41/33/777594133.db2.gz	CCPMQLYMKBBACS-QRVBRYPASA-N	1	0	371.481	1.799	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087160177	777632311	/nfs/dbraw/zinc/63/23/11/777632311.db2.gz	YDNRAXIRFLRZGD-COXVUDFISA-N	1	0	356.426	1.383	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc(C(C)C)n2C)C1	ZINC001022099890	777918797	/nfs/dbraw/zinc/91/87/97/777918797.db2.gz	SXWNXAQVZMYTBQ-QXSJWSMHSA-N	1	0	361.490	1.657	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc(C)n2CCC)C1	ZINC001022099904	777918807	/nfs/dbraw/zinc/91/88/07/777918807.db2.gz	UOOSBAKUUVFZKQ-TWMKSMIVSA-N	1	0	361.490	1.715	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3nccn3C2)C[C@H]1C	ZINC001104367514	777952006	/nfs/dbraw/zinc/95/20/06/777952006.db2.gz	WSUKLJHJKMYAFP-KZNAEPCWSA-N	1	0	358.486	1.170	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3ccncc3)C2)C1=O	ZINC001022105484	777965314	/nfs/dbraw/zinc/96/53/14/777965314.db2.gz	GULPDGWYGUDXJL-IGKNDFSCSA-N	1	0	354.454	1.209	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2ncn(C)n2)[C@H](C[NH2+]Cc2cc(F)ccc2C#N)C1	ZINC001087161986	778004685	/nfs/dbraw/zinc/00/46/85/778004685.db2.gz	JLPBJXQCGRYFTE-DYVFJYSZSA-N	1	0	370.432	1.856	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC3(CC2)CC(=O)C=CO3)C1	ZINC000891597379	778442025	/nfs/dbraw/zinc/44/20/25/778442025.db2.gz	HPZRSPOLYAQCRJ-QGZVFWFLSA-N	1	0	365.474	1.391	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1	ZINC001022221290	778691936	/nfs/dbraw/zinc/69/19/36/778691936.db2.gz	CAKTUIAEEBWOFG-QXSJWSMHSA-N	1	0	352.866	1.877	20	30		FDEDRO
C[N@H+](CC(=O)N1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1)C1CCC1	ZINC000971705756	778743634	/nfs/dbraw/zinc/74/36/34/778743634.db2.gz	KIOJFIDWQORTAC-RHSMWYFYSA-N	1	0	355.442	1.044	20	30		FDEDRO
CC(C)N1CC[C@H](NC(=O)NCC#CCO)[C@H]1c1ccc(F)c(F)c1	ZINC000923773044	778927677	/nfs/dbraw/zinc/92/76/77/778927677.db2.gz	HMOOVADJXDMRNH-DLBZAZTESA-N	1	0	351.397	1.784	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)[C@@H](C4CC4)[NH+](C)C)C[C@H]32)cn1	ZINC001022294342	779192001	/nfs/dbraw/zinc/19/20/01/779192001.db2.gz	CEICCYILCSPZCN-QXAKKESOSA-N	1	0	366.465	1.076	20	30		FDEDRO
C=CCN([C@@H](C)COC)S(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C	ZINC000657073575	779274526	/nfs/dbraw/zinc/27/45/26/779274526.db2.gz	NUKDVRHASDMPRB-ZDUSSCGKSA-N	1	0	358.508	1.273	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1	ZINC000471871742	779467026	/nfs/dbraw/zinc/46/70/26/779467026.db2.gz	MSVOXKKADPQTNZ-ZWKOTPCHSA-N	1	0	358.486	1.670	20	30		FDEDRO
N#Cc1cccnc1OC1CCC(NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1	ZINC000891827156	779611203	/nfs/dbraw/zinc/61/12/03/779611203.db2.gz	IWUKMDSWBWIHCF-HPZPOOBXSA-N	1	0	355.442	1.789	20	30		FDEDRO
C=CCOc1c(Br)cc(C[NH2+]C[C@@](C)(O)CO)cc1OC	ZINC000684536805	779769848	/nfs/dbraw/zinc/76/98/48/779769848.db2.gz	UUJUHIYDTFGWQF-OAHLLOKOSA-N	1	0	360.248	1.855	20	30		FDEDRO
CN(CC(=O)NC1(C#N)CCCCC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000376798139	790740110	/nfs/dbraw/zinc/74/01/10/790740110.db2.gz	DAEDOJJTRHBKBC-GOSISDBHSA-N	1	0	361.534	1.429	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3NC(=O)c4ccccc43)[C@H]2C1	ZINC001083229592	779968722	/nfs/dbraw/zinc/96/87/22/779968722.db2.gz	INZQUYKRKODQOS-GBESFXJTSA-N	1	0	369.465	1.739	20	30		FDEDRO
C[N@H+](CC(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1)C1CCC1	ZINC000971851347	779987034	/nfs/dbraw/zinc/98/70/34/779987034.db2.gz	NPLPAPOWZOFDIZ-CXAGYDPISA-N	1	0	355.442	1.044	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cnn3c2OCCC3)C[C@H]1C	ZINC001104388402	780262054	/nfs/dbraw/zinc/26/20/54/780262054.db2.gz	VTPZPPNJGYRWNL-HZPDHXFCSA-N	1	0	362.474	1.556	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC001022452826	780314882	/nfs/dbraw/zinc/31/48/82/780314882.db2.gz	SJBPURDEJAAMFT-UUKONUISSA-N	1	0	367.449	1.727	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cn[nH]n2)[C@H](C[NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC001087185121	780372683	/nfs/dbraw/zinc/37/26/83/780372683.db2.gz	UOOSDCFWOBVGFN-DOMZBBRYSA-N	1	0	356.405	1.846	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)c1	ZINC001022476217	780563136	/nfs/dbraw/zinc/56/31/36/780563136.db2.gz	RTFRJCNLDIFTRF-YUAHOQAQSA-N	1	0	373.428	1.486	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H](CCO)C2CCCC2)CC1	ZINC000934009893	780608983	/nfs/dbraw/zinc/60/89/83/780608983.db2.gz	OTHJQPSFKFFROA-MSOLQXFVSA-N	1	0	350.507	1.210	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2COCC[C@H]2OC)c(OC)c1	ZINC000934041715	780639476	/nfs/dbraw/zinc/63/94/76/780639476.db2.gz	GTDYLAWXIYSKFE-GVDBMIGSSA-N	1	0	351.443	1.557	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CCNS(=O)(=O)c2cccnc2C#N)cc1	ZINC000277072263	780718038	/nfs/dbraw/zinc/71/80/38/780718038.db2.gz	SPJMGEVBCWBMDZ-UHFFFAOYSA-N	1	0	374.466	1.415	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCc2cccnc2)C[C@H]1C	ZINC001104392196	780749756	/nfs/dbraw/zinc/74/97/56/780749756.db2.gz	NMEHBTATSZHXAH-ZHALLVOQSA-N	1	0	370.497	1.226	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)CC1	ZINC000277192536	781068771	/nfs/dbraw/zinc/06/87/71/781068771.db2.gz	WAHWZOKFXGEZGE-OAHLLOKOSA-N	1	0	358.442	1.838	20	30		FDEDRO
CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@H+](CC(=O)N(CCC#N)CCC#N)[C@@H]1C	ZINC000934162627	781352368	/nfs/dbraw/zinc/35/23/68/781352368.db2.gz	NKEPATSQJNVHLB-KYHPRHEASA-N	1	0	362.474	1.940	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)C2)c(F)c1	ZINC000408031244	790878724	/nfs/dbraw/zinc/87/87/24/790878724.db2.gz	LNVGRRXSIZOOGS-VQIMIIECSA-N	1	0	371.460	1.172	20	30		FDEDRO
C=C1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4CN(C)CCO4)C[C@H]32)CC1	ZINC001022604070	781503032	/nfs/dbraw/zinc/50/30/32/781503032.db2.gz	LEIFPHPNRKJNAP-KSZLIROESA-N	1	0	361.486	1.123	20	30		FDEDRO
C[C@H]1CCCN(C(=[NH2+])NCCC(=O)N2CCN(c3ccccc3)CC2)C1	ZINC000104183342	781543899	/nfs/dbraw/zinc/54/38/99/781543899.db2.gz	YYYPPFOOINXKRG-KRWDZBQOSA-N	1	0	357.502	1.772	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1	ZINC000431316618	781558589	/nfs/dbraw/zinc/55/85/89/781558589.db2.gz	DDWAGWNEBILXMG-AEFFLSMTSA-N	1	0	366.506	1.259	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3CN(C(=O)C[N@H+]4CC[C@@H](C)C4)C[C@H]32)c1	ZINC001022635624	781700857	/nfs/dbraw/zinc/70/08/57/781700857.db2.gz	XTKXCTSTBYKOFM-HHXXYDBFSA-N	1	0	366.465	1.078	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(NC(=O)NC)c3)[C@H]2C1	ZINC001083248200	783430243	/nfs/dbraw/zinc/43/02/43/783430243.db2.gz	VSXPKFLBSBNLHV-DLBZAZTESA-N	1	0	358.442	1.539	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3ccc(C)o3)C[C@H]21	ZINC000972835431	783903970	/nfs/dbraw/zinc/90/39/70/783903970.db2.gz	UHYWWFQENCZPQS-NZSAHSFTSA-N	1	0	369.465	1.287	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1	ZINC001024150026	783928306	/nfs/dbraw/zinc/92/83/06/783928306.db2.gz	CNXCBAVSIYRJRI-GVDBMIGSSA-N	1	0	365.518	1.255	20	30		FDEDRO
C=CCCNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1	ZINC000658388702	783987893	/nfs/dbraw/zinc/98/78/93/783987893.db2.gz	BGYCYFUINYRTBK-KRWDZBQOSA-N	1	0	372.469	1.484	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000658460556	784084659	/nfs/dbraw/zinc/08/46/59/784084659.db2.gz	NONZOAZZVQGUEC-GOSISDBHSA-N	1	0	359.470	1.428	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1	ZINC000658522391	784230675	/nfs/dbraw/zinc/23/06/75/784230675.db2.gz	OLNSQYSPFSKCIV-DLBZAZTESA-N	1	0	351.491	1.370	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2cnn(CC)n2)C1	ZINC001024196566	784308513	/nfs/dbraw/zinc/30/85/13/784308513.db2.gz	XZMFVICJGVMVJE-SZMVWBNQSA-N	1	0	361.490	1.607	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCc1cnn(C)c1	ZINC001024443035	784700790	/nfs/dbraw/zinc/70/07/90/784700790.db2.gz	BCTDQQUWFIKFQW-QRVBRYPASA-N	1	0	360.502	1.915	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1	ZINC001024531519	785046360	/nfs/dbraw/zinc/04/63/60/785046360.db2.gz	NGJBTNMRELZDHG-BRWVUGGUSA-N	1	0	365.518	1.397	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccnc(OC)n2)C[C@H]1c1ccccc1	ZINC001211633257	785119836	/nfs/dbraw/zinc/11/98/36/785119836.db2.gz	VEFFCYQFIHYDDB-FUHWJXTLSA-N	1	0	350.422	1.706	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@@H](CO)C[NH+]3CCCCC3)cc2C1=O	ZINC000413811179	785445098	/nfs/dbraw/zinc/44/50/98/785445098.db2.gz	XMMUJNMTUCQMQZ-OAHLLOKOSA-N	1	0	371.437	1.045	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(C(N)=O)c1	ZINC001024661622	785651162	/nfs/dbraw/zinc/65/11/62/785651162.db2.gz	KAZQEYCZISOFKC-QRVBRYPASA-N	1	0	371.481	1.847	20	30		FDEDRO
CCOC(=O)COc1cc(Cl)c(-n2ccc(C[NH3+])cc2=N)nc1C#N	ZINC001167689978	785654867	/nfs/dbraw/zinc/65/48/67/785654867.db2.gz	CABKWFFUKUCPNQ-UHFFFAOYSA-N	1	0	361.789	1.277	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(-c4ccccc4)n3)[C@H]2C1	ZINC001083271248	785716440	/nfs/dbraw/zinc/71/64/40/785716440.db2.gz	YVPPVJWHKRTMAB-RBUKOAKNSA-N	1	0	367.453	1.759	20	30		FDEDRO
COC(=O)[C@H]1CN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC[N@H+](C)C1	ZINC000413899948	785723157	/nfs/dbraw/zinc/72/31/57/785723157.db2.gz	YTBFKQHECAAOTJ-QGZVFWFLSA-N	1	0	357.454	1.690	20	30		FDEDRO
COC(=O)[C@H]1CN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC[N@H+](C)C1	ZINC000413901124	785728574	/nfs/dbraw/zinc/72/85/74/785728574.db2.gz	LSOCXRZEQKAAMA-CQSZACIVSA-N	1	0	359.401	1.292	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)C(=O)Nc3ccc(C)cc3)[C@H]2C1	ZINC001083272572	785986912	/nfs/dbraw/zinc/98/69/12/785986912.db2.gz	VPBJPFYLGCLNGA-ZWKOTPCHSA-N	1	0	357.454	1.811	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)nn(C)c2OC)C[C@H]1c1ccccc1	ZINC001211682074	805656735	/nfs/dbraw/zinc/65/67/35/805656735.db2.gz	IKWLFWBPOCXGSL-ZWKOTPCHSA-N	1	0	366.465	1.958	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@H]1c1ccccc1	ZINC001211639683	787130819	/nfs/dbraw/zinc/13/08/19/787130819.db2.gz	FSTCWESJZHEZRZ-UEXGIBASSA-N	1	0	371.481	1.299	20	30		FDEDRO
CS[C@H]1CN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@H]1[NH+](C)C	ZINC000376364690	787463801	/nfs/dbraw/zinc/46/38/01/787463801.db2.gz	CJJCPKMNVSHFTB-CABCVRRESA-N	1	0	371.470	1.648	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cnn(C)c3)C[C@H]21	ZINC000978826982	805802273	/nfs/dbraw/zinc/80/22/73/805802273.db2.gz	CUEFJDWBDUMOOV-FKSLSLAPSA-N	1	0	358.486	1.585	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCOCC)C2)nn1	ZINC001211683888	805804093	/nfs/dbraw/zinc/80/40/93/805804093.db2.gz	FBBKPNIBAMYJLM-ZWKOTPCHSA-N	1	0	369.469	1.698	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(Cc3cc(OC)no3)C[C@H]21	ZINC000978844287	805811374	/nfs/dbraw/zinc/81/13/74/805811374.db2.gz	VLKFWMNVFAOUCH-FDPKGLCPSA-N	1	0	361.442	1.458	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2C[C@H]2C(N)=O)cc1F	ZINC001025084446	787780520	/nfs/dbraw/zinc/78/05/20/787780520.db2.gz	XQMKYAVIHSPHKA-OAGGEKHMSA-N	1	0	358.417	1.289	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNC(=O)NC(C)C)C1	ZINC001104554689	787798800	/nfs/dbraw/zinc/79/88/00/787798800.db2.gz	YTOXZNUEZUQOKT-QZTJIDSGSA-N	1	0	364.534	1.962	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C4=COCCO4)[C@@H]3C2)cc1C#N	ZINC001075516092	787952133	/nfs/dbraw/zinc/95/21/33/787952133.db2.gz	RYIFKJVSSWQAQI-DOTOQJQBSA-N	1	0	369.421	1.488	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2csnn2)C[C@H]1c1ccccc1	ZINC001211642659	788075341	/nfs/dbraw/zinc/07/53/41/788075341.db2.gz	NYDSHHUWQMNZNG-JKSUJKDBSA-N	1	0	356.451	1.386	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C)nc4cc(C)nn43)[C@H]2C1	ZINC001083279050	788132819	/nfs/dbraw/zinc/13/28/19/788132819.db2.gz	GMBPWVJAEMFIFF-ZWKOTPCHSA-N	1	0	369.469	1.838	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1	ZINC000978867071	805852418	/nfs/dbraw/zinc/85/24/18/805852418.db2.gz	PSTMUOWGLLYNKX-SFFUCWETSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=CCN(C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)[C@H]1CCS(=O)(=O)C1	ZINC000659251727	788316108	/nfs/dbraw/zinc/31/61/08/788316108.db2.gz	JVVTUYFNSVEGMA-SJORKVTESA-N	1	0	362.495	1.881	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCS(=O)(=O)N(C)C)C1	ZINC001111999757	788515112	/nfs/dbraw/zinc/51/51/12/788515112.db2.gz	ZJIRIVGIDHGBAF-BQFCYCMXSA-N	1	0	371.547	1.593	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1	ZINC000973330699	788650501	/nfs/dbraw/zinc/65/05/01/788650501.db2.gz	NVGZLIZUPYDFIM-ZKXLYKBJSA-N	1	0	363.502	1.605	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3n[nH]cc3c2)C[C@H]1C	ZINC001104594585	788784518	/nfs/dbraw/zinc/78/45/18/788784518.db2.gz	LAFIQJSXMCUMRI-NVXWUHKLSA-N	1	0	354.454	1.901	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cccc(F)c2F)C[C@H]1C	ZINC001104597648	788792370	/nfs/dbraw/zinc/79/23/70/788792370.db2.gz	ITLCPMZXWOASJL-ZIAGYGMSSA-N	1	0	363.408	1.402	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)[nH]c3n2)C[C@H]1C	ZINC001104590574	788802944	/nfs/dbraw/zinc/80/29/44/788802944.db2.gz	VNDUWIDGTIZOJF-ZIAGYGMSSA-N	1	0	371.441	1.001	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1CC[NH2+]CC#Cc1ccccc1	ZINC001104612719	788887454	/nfs/dbraw/zinc/88/74/54/788887454.db2.gz	APQASZJJCHANBJ-SJLPKXTDSA-N	1	0	353.466	1.378	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2cccc(C)c2)C[C@H]1C	ZINC001104614880	788905123	/nfs/dbraw/zinc/90/51/23/788905123.db2.gz	WCMNXLNMMFOFFJ-QWFCFKBJSA-N	1	0	369.509	1.750	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccnc3c1ncn3C)C2	ZINC001112528833	805920196	/nfs/dbraw/zinc/92/01/96/805920196.db2.gz	SLGGMYJIYOOKBI-YWZLYKJASA-N	1	0	351.454	1.824	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCOCCNC(C)=O)C2)C1	ZINC001104652629	789175632	/nfs/dbraw/zinc/17/56/32/789175632.db2.gz	NUNHBPGASLKEBT-SJLPKXTDSA-N	1	0	365.518	1.570	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cc(C)n(C)n3)C2)c1	ZINC001104659245	789181085	/nfs/dbraw/zinc/18/10/85/789181085.db2.gz	GVOSDLKWWJYJQO-CRAIPNDOSA-N	1	0	365.481	1.993	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ccn(C)n3)C2)c1	ZINC001104659878	789210497	/nfs/dbraw/zinc/21/04/97/789210497.db2.gz	YHLREKXYEBIJOA-NVXWUHKLSA-N	1	0	351.454	1.684	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCCS(C)(=O)=O)C[C@H]1c1ccccc1	ZINC001211688280	805946164	/nfs/dbraw/zinc/94/61/64/805946164.db2.gz	SWWCCHPOCRIUES-ZWKOTPCHSA-N	1	0	362.495	1.419	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)NC(=O)C(C)(C)C)C[C@H]1c1ccccc1	ZINC001211646772	789262149	/nfs/dbraw/zinc/26/21/49/789262149.db2.gz	KGJGXWHAVILHGE-RYQLBKOJSA-N	1	0	355.482	1.755	20	30		FDEDRO
C#CCn1ccc(CN(CC)c2cc(N3CCCC[C@H]3CO)ncn2)n1	ZINC000278808523	789394030	/nfs/dbraw/zinc/39/40/30/789394030.db2.gz	IGLJHDGOTNCZGI-KRWDZBQOSA-N	1	0	354.458	1.684	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cc3n(n2)CCC3)C1	ZINC001104699524	789519964	/nfs/dbraw/zinc/51/99/64/789519964.db2.gz	WQSNZKLCLFIVQA-SMOSDQRPSA-N	1	0	372.513	1.995	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCCN(Cc3nccn3C)C2=O)cc1	ZINC000782977963	789543173	/nfs/dbraw/zinc/54/31/73/789543173.db2.gz	HFHHLVKTMISKHV-YJBOKZPZSA-N	1	0	367.453	1.992	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cccc3c2OCC3)C[C@H]1C	ZINC001104711400	789650566	/nfs/dbraw/zinc/65/05/66/789650566.db2.gz	IELBZEFHUGVUAC-SJLPKXTDSA-N	1	0	356.466	1.959	20	30		FDEDRO
CC1CC[NH+](C[C@H]2CCCN(C(=O)NCCn3cnc(C#N)n3)C2)CC1	ZINC000377219166	791296357	/nfs/dbraw/zinc/29/63/57/791296357.db2.gz	AQSGKFQTUQSBTH-MRXNPFEDSA-N	1	0	359.478	1.303	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC3(CCN(C(=O)C#CC4CC4)CC3)CC2)CC[N@@H+]1C	ZINC000936326860	791521851	/nfs/dbraw/zinc/52/18/51/791521851.db2.gz	QUPYNBZFVGDEJQ-IEBWSBKVSA-N	1	0	371.525	1.971	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc3ncn(C)c3n1)C2	ZINC001112529180	806089015	/nfs/dbraw/zinc/08/90/15/806089015.db2.gz	LGVQMVITGTUUPG-YWZLYKJASA-N	1	0	351.454	1.824	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)ccc1OCC(F)(F)F	ZINC000415301684	791882465	/nfs/dbraw/zinc/88/24/65/791882465.db2.gz	BQVLNSOANOPAII-LBPRGKRZSA-N	1	0	370.331	1.306	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C2CCC2)[C@H]2CCCO2)CC1	ZINC000636676085	806105253	/nfs/dbraw/zinc/10/52/53/806105253.db2.gz	DENFGVQTUXJDML-QZTJIDSGSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)C2CCS(=O)(=O)CC2)C[C@H]1C	ZINC001104748268	792062790	/nfs/dbraw/zinc/06/27/90/792062790.db2.gz	LAXMMPQWQAUPBG-NVXWUHKLSA-N	1	0	356.532	1.852	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1C#N	ZINC000415405684	792188212	/nfs/dbraw/zinc/18/82/12/792188212.db2.gz	YVJILPWLEAMBLJ-CYBMUJFWSA-N	1	0	358.442	1.870	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CC1	ZINC000636676493	806132435	/nfs/dbraw/zinc/13/24/35/806132435.db2.gz	ITCSRLZGKXMXOM-SFHVURJKSA-N	1	0	362.518	1.276	20	30		FDEDRO
CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000415423217	792229049	/nfs/dbraw/zinc/22/90/49/792229049.db2.gz	FMWGRXIZWJIZDZ-LBPRGKRZSA-N	1	0	372.347	1.885	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC[NH2+]1	ZINC000415438861	792256926	/nfs/dbraw/zinc/25/69/26/792256926.db2.gz	QKASVFVIKKJQLZ-CYBMUJFWSA-N	1	0	365.393	1.504	20	30		FDEDRO
CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	ZINC000415434137	792263881	/nfs/dbraw/zinc/26/38/81/792263881.db2.gz	HHGFGSGNOJIVFC-QGZVFWFLSA-N	1	0	367.409	1.784	20	30		FDEDRO
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NCC(C)(C)[NH3+]	ZINC000415472028	792316269	/nfs/dbraw/zinc/31/62/69/792316269.db2.gz	UEKUDLVGDMPTRH-UHFFFAOYSA-N	1	0	367.409	1.846	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1	ZINC000415510205	792408542	/nfs/dbraw/zinc/40/85/42/792408542.db2.gz	YMHOPLISABTDJF-UHFFFAOYSA-N	1	0	374.441	1.252	20	30		FDEDRO
N#CCc1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc1	ZINC000377809705	792828141	/nfs/dbraw/zinc/82/81/41/792828141.db2.gz	RWPRRFKRPGIVTG-CGTJXYLNSA-N	1	0	352.438	1.634	20	30		FDEDRO
C=C(C)COc1cccc(NC(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c1	ZINC000415732755	792893505	/nfs/dbraw/zinc/89/35/05/792893505.db2.gz	YMTSXHRBXFOJAK-QGZVFWFLSA-N	1	0	372.469	1.086	20	30		FDEDRO
N#Cc1cc(Oc2ccc(NC(=O)N3CCO[C@H](C[NH3+])C3)cc2)ccn1	ZINC000415733882	792894695	/nfs/dbraw/zinc/89/46/95/792894695.db2.gz	JMHOVSCIHNGGIW-QGZVFWFLSA-N	1	0	353.382	1.937	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(n2cc(C[NH2+]CCC(C)C)nn2)C1	ZINC001105342431	806202751	/nfs/dbraw/zinc/20/27/51/806202751.db2.gz	DUDWMFYAFFIROT-ROUUACIJSA-N	1	0	361.490	1.778	20	30		FDEDRO
CCCc1c(NC(=O)C(=O)NC[C@@H]([NH3+])CC)cnn1-c1cccc(C#N)c1	ZINC000415797172	792997718	/nfs/dbraw/zinc/99/77/18/792997718.db2.gz	YILXHFVILDCRGQ-AWEZNQCLSA-N	1	0	368.441	1.488	20	30		FDEDRO
CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	ZINC000415794899	793011223	/nfs/dbraw/zinc/01/12/23/793011223.db2.gz	WUYXUXWEWOPLJB-CQSZACIVSA-N	1	0	367.409	1.846	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)c3ccccc3F)C[C@H]21	ZINC001026054256	793014236	/nfs/dbraw/zinc/01/42/36/793014236.db2.gz	IJBUDDOFFXNKNG-BXCFQTICSA-N	1	0	360.429	1.497	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1	ZINC000415824701	793070085	/nfs/dbraw/zinc/07/00/85/793070085.db2.gz	WLWLAOLWQRISBX-MRXNPFEDSA-N	1	0	374.441	1.156	20	30		FDEDRO
CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1	ZINC000415866763	793222639	/nfs/dbraw/zinc/22/26/39/793222639.db2.gz	VXIVHEMBWLQWPH-MRXNPFEDSA-N	1	0	358.417	1.872	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](NC(C)=O)C2)CC1	ZINC001026092134	793258158	/nfs/dbraw/zinc/25/81/58/793258158.db2.gz	YWNJMAFERJORBO-VQTJNVASSA-N	1	0	371.456	1.601	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN([C@H](C)c3nnc(C)s3)C[C@H]21	ZINC001026101719	793301905	/nfs/dbraw/zinc/30/19/05/793301905.db2.gz	BYAXWMUIWSJKSR-DDUAWJMPSA-N	1	0	362.499	1.935	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3c4ccccc4NC3=O)[C@H]2C1	ZINC001083290122	793317510	/nfs/dbraw/zinc/31/75/10/793317510.db2.gz	JPNCAAFJUUGLEK-BPQIPLTHSA-N	1	0	355.438	1.600	20	30		FDEDRO
C[NH2+]Cc1ccc(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1	ZINC000415982904	793462865	/nfs/dbraw/zinc/46/28/65/793462865.db2.gz	MIMPDRIFBCJLDG-AWEZNQCLSA-N	1	0	365.441	1.810	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCOC)C1	ZINC001104757648	793482169	/nfs/dbraw/zinc/48/21/69/793482169.db2.gz	GSJRHGXMQFSVJZ-NXHRZFHOSA-N	1	0	353.507	1.568	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](C)c3cnccn3)C2)nn1	ZINC001104769291	793555628	/nfs/dbraw/zinc/55/56/28/793555628.db2.gz	OFOAGOCOCFRSBW-BZUAXINKSA-N	1	0	369.473	1.703	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCOCC3CC3)C2)nn1	ZINC001104769257	793555719	/nfs/dbraw/zinc/55/57/19/793555719.db2.gz	MEDGWNAXMKTWKN-NVXWUHKLSA-N	1	0	361.490	1.579	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)C[C@H]1CC[NH2+]Cc1ccccc1C#N	ZINC001104786856	793660228	/nfs/dbraw/zinc/66/02/28/793660228.db2.gz	UOXAKDAJOFZJMA-ATZDWAIDSA-N	1	0	368.481	1.801	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCCC2)C[C@H]1C	ZINC001104787597	793666051	/nfs/dbraw/zinc/66/60/51/793666051.db2.gz	JYSILDSDZAVJSC-HZPDHXFCSA-N	1	0	354.516	1.441	20	30		FDEDRO
COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2C)cc1C#N	ZINC001104810247	793824755	/nfs/dbraw/zinc/82/47/55/793824755.db2.gz	IOJOPHPIAWTSRA-UKRRQHHQSA-N	1	0	368.441	1.573	20	30		FDEDRO
CCOCCC[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@H]1C(F)(F)F	ZINC001112052975	793859128	/nfs/dbraw/zinc/85/91/28/793859128.db2.gz	MADFXEBBDJUEQO-VXGBXAGGSA-N	1	0	353.410	1.649	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCn2cccc2)C[C@H]1C	ZINC001104836627	793978598	/nfs/dbraw/zinc/97/85/98/793978598.db2.gz	WCXPPCAGCCSEGH-FGTMMUONSA-N	1	0	358.486	1.090	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@]2(C)CCCOC2)C[C@H]1C	ZINC001104848525	794051488	/nfs/dbraw/zinc/05/14/88/794051488.db2.gz	MMKPKOCFBBDWFU-MDZRGWNJSA-N	1	0	351.491	1.180	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cn3nccc3nc2C)C[C@H]1C	ZINC001104855573	794075364	/nfs/dbraw/zinc/07/53/64/794075364.db2.gz	QYFFPZUXOKUCPL-NVXWUHKLSA-N	1	0	371.485	1.928	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1	ZINC000378449809	794160496	/nfs/dbraw/zinc/16/04/96/794160496.db2.gz	GNPALCASOZRPDB-RDJZCZTQSA-N	1	0	370.453	1.837	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC2(C[C@H]2C(=O)N(C)C2CC2)CC1	ZINC000378465531	794181730	/nfs/dbraw/zinc/18/17/30/794181730.db2.gz	WUHQACXVTOQUJJ-WBVHZDCISA-N	1	0	360.502	1.717	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1CC[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001104891411	794237162	/nfs/dbraw/zinc/23/71/62/794237162.db2.gz	FRRKHAJFBQDNRN-UKRRQHHQSA-N	1	0	370.432	1.632	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(N)=O)C1	ZINC001104892907	794242010	/nfs/dbraw/zinc/24/20/10/794242010.db2.gz	IZCCDPXLENAUTE-RBSFLKMASA-N	1	0	360.458	1.208	20	30		FDEDRO
C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)C[C@H](C)O2	ZINC001098610944	794273445	/nfs/dbraw/zinc/27/34/45/794273445.db2.gz	RTROZQLPMOOYSP-FGTMMUONSA-N	1	0	365.518	1.364	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3n[nH]cc3C2)C[C@H]1C	ZINC001104905009	794320012	/nfs/dbraw/zinc/32/00/12/794320012.db2.gz	TWHQJYIVXNEQTL-BRWVUGGUSA-N	1	0	358.486	1.239	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCC2CC2)C[C@H]1C(F)(F)F	ZINC001112064923	794474979	/nfs/dbraw/zinc/47/49/79/794474979.db2.gz	XIWCPARETFXKKL-BPLDGKMQSA-N	1	0	362.392	1.430	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)N(C)C)C1	ZINC001104952091	794535713	/nfs/dbraw/zinc/53/57/13/794535713.db2.gz	FZOXEVCLCYQGNA-MBOZVWFJSA-N	1	0	369.509	1.761	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](O)COC)C1	ZINC001104954723	794552618	/nfs/dbraw/zinc/55/26/18/794552618.db2.gz	PNPRTAHJGGJUQA-AHRSYUTCSA-N	1	0	358.482	1.292	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C3CC3)cn2)C[C@H]1C	ZINC001104965213	794612708	/nfs/dbraw/zinc/61/27/08/794612708.db2.gz	BUZHGRXAJSCEDL-CRAIPNDOSA-N	1	0	368.481	1.396	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2ccccc2F)C[C@H]1C	ZINC001104971732	794662661	/nfs/dbraw/zinc/66/26/61/794662661.db2.gz	WDRLCFNYALRQKX-NVXWUHKLSA-N	1	0	359.445	1.192	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H](CN(C)c3ccncc3C#N)C2)CC[N@@H+]1C	ZINC001058708283	794749454	/nfs/dbraw/zinc/74/94/54/794749454.db2.gz	HEQDCQFYJJEJFT-JFIYKMOQSA-N	1	0	355.486	1.968	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C2CCN(C(N)=O)CC2)C[C@H]1C	ZINC001104992996	794750989	/nfs/dbraw/zinc/75/09/89/794750989.db2.gz	BLRMJPOKLAHYFF-IUODEOHRSA-N	1	0	356.898	1.604	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](CN(C)c3cncc(C#N)n3)C2)CC[N@@H+]1C	ZINC001058708472	794758526	/nfs/dbraw/zinc/75/85/26/794758526.db2.gz	MUZOUXCRHLNTPW-RYQLBKOJSA-N	1	0	370.501	1.753	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)COCc2ccccc2)C[C@H]1C	ZINC001104998522	794804447	/nfs/dbraw/zinc/80/44/47/794804447.db2.gz	LXIBNSNVAFEMAP-UYAOXDASSA-N	1	0	358.482	1.927	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)COCc2ccccc2)C[C@H]1C	ZINC001104998019	794814740	/nfs/dbraw/zinc/81/47/40/794814740.db2.gz	AOPVZQNEFIFSRF-IEBWSBKVSA-N	1	0	371.481	1.027	20	30		FDEDRO
CC(C)C[C@H](CNc1ccc(C#N)cn1)NC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC001105002250	794831811	/nfs/dbraw/zinc/83/18/11/794831811.db2.gz	ZIBZOAUDRJGSJF-DJIMGWMZSA-N	1	0	359.474	1.615	20	30		FDEDRO
CC(C)C[C@H](CNc1nccnc1C#N)NC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC001105002190	794832355	/nfs/dbraw/zinc/83/23/55/794832355.db2.gz	XLTMVQUBFWVMSO-IIAWOOMASA-N	1	0	360.462	1.010	20	30		FDEDRO
Cc1cc(C#N)nc(NC[C@@H](CC(C)C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1	ZINC001105003180	794848994	/nfs/dbraw/zinc/84/89/94/794848994.db2.gz	OLCCHPKHXUTAEQ-DJIMGWMZSA-N	1	0	358.490	1.940	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2COCCN2C(C)=O)C[C@H]1C	ZINC001105034047	795013170	/nfs/dbraw/zinc/01/31/70/795013170.db2.gz	JZYIHHLVCAUJJK-DAXOMENPSA-N	1	0	357.882	1.060	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH]nc3C2)C[C@H]1C	ZINC001105037146	795018806	/nfs/dbraw/zinc/01/88/06/795018806.db2.gz	LFNOUEZHUXIKAA-JFIYKMOQSA-N	1	0	360.502	1.791	20	30		FDEDRO
CNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C	ZINC001105044828	795052209	/nfs/dbraw/zinc/05/22/09/795052209.db2.gz	CZQJBORTCXFEPB-ZIFCJYIRSA-N	1	0	355.482	1.637	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cccnc2C(N)=O)C[C@H]1C	ZINC001105049726	795059879	/nfs/dbraw/zinc/05/98/79/795059879.db2.gz	FDEXGOXZEMZGND-HUUCEWRRSA-N	1	0	360.458	1.071	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C)nc2C)C[C@H]1C	ZINC001105053561	795072713	/nfs/dbraw/zinc/07/27/13/795072713.db2.gz	SPOLGTANPJSQKV-FHLIZLRMSA-N	1	0	370.497	1.524	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)N2CCCCC2=O)C[C@H]1C	ZINC001105054306	795075051	/nfs/dbraw/zinc/07/50/51/795075051.db2.gz	QHZFJXDQEAFWNI-FGTMMUONSA-N	1	0	365.518	1.664	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CCCOc2ccc(C#N)cc2)CC1	ZINC000162386199	795140206	/nfs/dbraw/zinc/14/02/06/795140206.db2.gz	TVLPGGSUSYDCKG-LJQANCHMSA-N	1	0	356.470	1.566	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3c(C)nn(C)c3n2)C[C@H]1C	ZINC001105067521	795147344	/nfs/dbraw/zinc/14/73/44/795147344.db2.gz	GAGRDQBBSVOVKJ-GDBMZVCRSA-N	1	0	353.470	1.988	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@](C)(NC(C)=O)C(C)C)C[C@H]1C	ZINC001105082699	795180291	/nfs/dbraw/zinc/18/02/91/795180291.db2.gz	OCVFTRPCQHOSHW-YVWKXTFCSA-N	1	0	367.534	1.814	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cc3n(n2)CCC3)C1	ZINC001105091146	795239743	/nfs/dbraw/zinc/23/97/43/795239743.db2.gz	SAKAIWMZIPOZPE-IXDOHACOSA-N	1	0	360.502	1.995	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC(=O)N(CCc3ccccc3)C2)CC1	ZINC000364135169	795254994	/nfs/dbraw/zinc/25/49/94/795254994.db2.gz	UGDCXNCCORTKBE-LJQANCHMSA-N	1	0	367.493	1.539	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)CN(C)Cc2ccccc2)C[C@H]1C	ZINC001105096938	795262339	/nfs/dbraw/zinc/26/23/39/795262339.db2.gz	FLKCBSRHEXHXDV-TZIWHRDSSA-N	1	0	371.525	1.842	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cccc3nnn(C)c32)C[C@H]1C	ZINC001105119955	795345414	/nfs/dbraw/zinc/34/54/14/795345414.db2.gz	JTYCBDMUOJGOSU-HZPDHXFCSA-N	1	0	371.485	1.859	20	30		FDEDRO
C[C@H]([NH3+])C1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000418014074	795462303	/nfs/dbraw/zinc/46/23/03/795462303.db2.gz	UDHASAZJMKNFOG-KBXCAEBGSA-N	1	0	369.469	1.822	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCC[C@@H]3CCC[NH2+]3)C2=O)cc1	ZINC000418075546	795510288	/nfs/dbraw/zinc/51/02/88/795510288.db2.gz	HESGACSLAQQONH-ZWKOTPCHSA-N	1	0	369.469	1.491	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC1CCC([NH2+]Cc2cccc(C#N)c2)CC1	ZINC001026560235	795554296	/nfs/dbraw/zinc/55/42/96/795554296.db2.gz	HKAQGZSYSKLYML-WZOJCFFYSA-N	1	0	368.481	1.800	20	30		FDEDRO
C[NH2+]CCCNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N	ZINC000418278274	795684156	/nfs/dbraw/zinc/68/41/56/795684156.db2.gz	LKKHHKLZGMKNAZ-UHFFFAOYSA-N	1	0	373.436	1.307	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=S)Nc2ccccc2C#N)CC1	ZINC000728792919	795876619	/nfs/dbraw/zinc/87/66/19/795876619.db2.gz	MKSUCKBDNQIFDF-UHFFFAOYSA-N	1	0	359.499	1.741	20	30		FDEDRO
CCC([NH3+])(CC)CNC(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000418430481	795913679	/nfs/dbraw/zinc/91/36/79/795913679.db2.gz	UXINSORCBJKZFW-ORAYPTAESA-N	1	0	355.442	1.559	20	30		FDEDRO
C=C(C)Cn1c(-c2ncon2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C	ZINC000909331793	796080660	/nfs/dbraw/zinc/08/06/60/796080660.db2.gz	PFIGNDIHZOUNPK-AWEZNQCLSA-N	1	0	373.461	1.594	20	30		FDEDRO
Cc1ccc(-n2nc(CCCNC(=O)N[C@@H](C)CC[NH3+])c(C#N)c2N)cc1	ZINC000418538718	796110621	/nfs/dbraw/zinc/11/06/21/796110621.db2.gz	FDUXDWYTXJHIDK-AWEZNQCLSA-N	1	0	369.473	1.604	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccccc2CNC(=[NH2+])NC[C@@H]2CCCO2)CC1	ZINC000195522525	796224232	/nfs/dbraw/zinc/22/42/32/796224232.db2.gz	KFBDRJHBVPAPIL-IBGZPJMESA-N	1	0	359.518	1.407	20	30		FDEDRO
C=CC[C@]1(C(=O)N(CC)CC(=O)Nc2ccc3c(c2)OCCO3)CCC[NH2+]1	ZINC000662442290	806626205	/nfs/dbraw/zinc/62/62/05/806626205.db2.gz	JTGTUAPWODFVRY-HXUWFJFHSA-N	1	0	373.453	1.943	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)C[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)nc1	ZINC000974582102	799865345	/nfs/dbraw/zinc/86/53/45/799865345.db2.gz	UMIOHQWPAZASQK-YQVWRLOYSA-N	1	0	366.465	1.078	20	30		FDEDRO
CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21	ZINC000974599663	799912085	/nfs/dbraw/zinc/91/20/85/799912085.db2.gz	NRAOCQBROZMTGL-CRAIPNDOSA-N	1	0	352.438	1.234	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=O)NC2CC[NH+](CC3CC3)CC2)c1	ZINC000193798131	800049525	/nfs/dbraw/zinc/04/95/25/800049525.db2.gz	YFUQNPSPKKETAR-UHFFFAOYSA-N	1	0	354.454	1.780	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]32)cc1	ZINC000974701160	800119076	/nfs/dbraw/zinc/11/90/76/800119076.db2.gz	KUMWEOGXUCHYGG-VAMGGRTRSA-N	1	0	367.493	1.927	20	30		FDEDRO
C=C(C)Cn1c(-c2ccc(=O)n(C)c2)nnc1N1CC[N@@H+](CC)[C@H](C)C1	ZINC000909341693	800304922	/nfs/dbraw/zinc/30/49/22/800304922.db2.gz	YORGNCJMZBZJEL-OAHLLOKOSA-N	1	0	356.474	1.750	20	30		FDEDRO
C=CC[C@]1(C(=O)N[C@@H](C)c2ccc(S(=O)(=O)NC)cc2)CCC[NH2+]1	ZINC000662531813	806832179	/nfs/dbraw/zinc/83/21/79/806832179.db2.gz	JEZWAGCJTXTVEI-SUMWQHHRSA-N	1	0	351.472	1.470	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C(C)(C)C1	ZINC000975030191	800785075	/nfs/dbraw/zinc/78/50/75/800785075.db2.gz	LVBSURFOOWGBFF-OWCLPIDISA-N	1	0	351.491	1.415	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cn(C)nc2C(F)F)C1	ZINC001027074631	800886286	/nfs/dbraw/zinc/88/62/86/800886286.db2.gz	CRBGCGZJNUAFKH-YUELXQCFSA-N	1	0	368.428	1.887	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nn(C)cc2Cl)C1	ZINC001027076192	800891054	/nfs/dbraw/zinc/89/10/54/800891054.db2.gz	IGFKBROPZFAHAM-IOASZLSFSA-N	1	0	352.866	1.603	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnc(CC)n2C)C1	ZINC001027116961	801013054	/nfs/dbraw/zinc/01/30/54/801013054.db2.gz	MBEYMYVEPSLMQT-MPGHIAIKSA-N	1	0	361.490	1.297	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnc(C(C)C)[nH]2)C1	ZINC001027117476	801017287	/nfs/dbraw/zinc/01/72/87/801017287.db2.gz	ZKRVFQPTHVGYSO-ZOBUZTSGSA-N	1	0	361.490	1.847	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000975225794	801023373	/nfs/dbraw/zinc/02/33/73/801023373.db2.gz	VWSDLXRMDCNLAK-IJEWVQPXSA-N	1	0	357.458	1.195	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCc3ccc(S(=O)(=O)NCC)cc32)CCC[NH2+]1	ZINC000662628430	806898497	/nfs/dbraw/zinc/89/84/97/806898497.db2.gz	ZPECPEIZGSVTDJ-SFHVURJKSA-N	1	0	363.483	1.572	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC000975428928	801342567	/nfs/dbraw/zinc/34/25/67/801342567.db2.gz	HLAFQANUDXBHRW-KBAYOESNSA-N	1	0	368.481	1.372	20	30		FDEDRO
CC#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CCNC2=O)C1	ZINC001087429440	806931455	/nfs/dbraw/zinc/93/14/55/806931455.db2.gz	JUPKLIONQPOYHV-IPMKNSEASA-N	1	0	353.466	1.510	20	30		FDEDRO
C=CC[C@]1(C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)CCC[NH2+]1	ZINC000662702669	806977094	/nfs/dbraw/zinc/97/70/94/806977094.db2.gz	BYGUXUHKYNZFBR-OAQYLSRUSA-N	1	0	370.497	1.540	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H]3CCN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]32)c1	ZINC000975780876	802353518	/nfs/dbraw/zinc/35/35/18/802353518.db2.gz	BKGHCRPHBUOFAF-UHOSZYNNSA-N	1	0	368.481	1.466	20	30		FDEDRO
C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000661117072	802755604	/nfs/dbraw/zinc/75/56/04/802755604.db2.gz	NVLZYSRHCTWRQV-BBRMVZONSA-N	1	0	351.472	1.997	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@H]3C2)c1	ZINC000975996187	802822777	/nfs/dbraw/zinc/82/27/77/802822777.db2.gz	OUOWGVWZMLFXSM-SCTDSRPQSA-N	1	0	366.465	1.078	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)CCC[NH2+]1	ZINC000662798141	803313403	/nfs/dbraw/zinc/31/34/03/803313403.db2.gz	BFHQEVKKGANIQW-SFHVURJKSA-N	1	0	363.483	1.541	20	30		FDEDRO
C=CC[C@@]1(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)CCC[NH2+]1	ZINC000662800398	803330238	/nfs/dbraw/zinc/33/02/38/803330238.db2.gz	QGCNPQSEOHYDKH-FQEVSTJZSA-N	1	0	356.470	1.992	20	30		FDEDRO
C=CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000661380982	803435333	/nfs/dbraw/zinc/43/53/33/803435333.db2.gz	SFPXHKWMSNQENL-ZIAGYGMSSA-N	1	0	351.472	1.949	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1CC(F)(F)C1	ZINC000976488493	803445136	/nfs/dbraw/zinc/44/51/36/803445136.db2.gz	LLPQRDLFQSVOHY-OAGGEKHMSA-N	1	0	367.440	1.673	20	30		FDEDRO
C=CCCS(=O)(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21	ZINC000651841727	803462440	/nfs/dbraw/zinc/46/24/40/803462440.db2.gz	YUJYAYMGLGTBCU-ROUUACIJSA-N	1	0	350.484	1.868	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21	ZINC000976585138	803560457	/nfs/dbraw/zinc/56/04/57/803560457.db2.gz	CZFHMXKCZGWFOC-SIRPWMCASA-N	1	0	361.486	1.025	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[C@H]4C(C)(C)C)C[C@H]32)CC1	ZINC000976658218	803679732	/nfs/dbraw/zinc/67/97/32/803679732.db2.gz	XHKMJTRMHMHOOX-FQBWVUSXSA-N	1	0	371.525	1.587	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1	ZINC000976698192	803771991	/nfs/dbraw/zinc/77/19/91/803771991.db2.gz	HHRYOEQMWSTHEF-IAGOWNOFSA-N	1	0	358.486	1.927	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2	ZINC000423118642	814964935	/nfs/dbraw/zinc/96/49/35/814964935.db2.gz	BQOZBGMNXGPSAF-UHFFFAOYSA-N	1	0	368.481	1.899	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1	ZINC000423124892	814967361	/nfs/dbraw/zinc/96/73/61/814967361.db2.gz	MWMATMSZZVRUGK-CRAIPNDOSA-N	1	0	356.470	1.740	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1	ZINC000423168120	814986190	/nfs/dbraw/zinc/98/61/90/814986190.db2.gz	GTFCLFLREVGROD-MRXNPFEDSA-N	1	0	359.470	1.797	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1	ZINC000423214393	815004061	/nfs/dbraw/zinc/00/40/61/815004061.db2.gz	MHAZKMVCVDHTQK-NVXWUHKLSA-N	1	0	372.425	1.320	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1	ZINC000423214802	815004855	/nfs/dbraw/zinc/00/48/55/815004855.db2.gz	NCTLLTIJNDWVHA-HNNXBMFYSA-N	1	0	360.414	1.177	20	30		FDEDRO
C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC001027463146	804318251	/nfs/dbraw/zinc/31/82/51/804318251.db2.gz	SIZNGEXBKZWGEN-MJBXVCDLSA-N	1	0	350.381	1.832	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@@H]([N@H+](C)Cc3ccc(C#N)cc3)C2)O1	ZINC001027466009	804353960	/nfs/dbraw/zinc/35/39/60/804353960.db2.gz	ZOGGNOWKYPRSJI-NSISKUIASA-N	1	0	370.497	1.700	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@H]([N@H+](C)Cc3cccc(C#N)c3)C2)O1	ZINC001027465969	804354042	/nfs/dbraw/zinc/35/40/42/804354042.db2.gz	YYDGMEYVIOAVDM-LSTHTHJFSA-N	1	0	370.497	1.700	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4COCCO4)[C@@H]3C2)cc1C#N	ZINC001075568338	804416880	/nfs/dbraw/zinc/41/68/80/804416880.db2.gz	XRPJBVYZRFFMSP-WDYCEAGBSA-N	1	0	371.437	1.015	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1	ZINC000423252351	815020179	/nfs/dbraw/zinc/02/01/79/815020179.db2.gz	UAEQTKVYSFLVFJ-QAPCUYQASA-N	1	0	372.469	1.119	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C[N@H+]2CC[C@@H](C)C2)c1	ZINC000977170609	804506171	/nfs/dbraw/zinc/50/61/71/804506171.db2.gz	STYWYXAPPGAEIO-ATZDWAIDSA-N	1	0	368.481	1.562	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)CC1(C)C	ZINC000977320714	804752843	/nfs/dbraw/zinc/75/28/43/804752843.db2.gz	WCPNCRNVNDWDJX-JZXOWHBKSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@H]1CCCN(C(=O)OCc2ccccc2)C1	ZINC000893506026	804825721	/nfs/dbraw/zinc/82/57/21/804825721.db2.gz	RKYMPNYTSMVULU-KRWDZBQOSA-N	1	0	366.483	1.978	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1	ZINC000423170133	804907615	/nfs/dbraw/zinc/90/76/15/804907615.db2.gz	LBTYYOFRRFIDLK-HXUWFJFHSA-N	1	0	357.454	1.564	20	30		FDEDRO
CN1CCN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC[N@H+](C)CC1	ZINC000888992687	805067637	/nfs/dbraw/zinc/06/76/37/805067637.db2.gz	UTVUNUHAMSXBQI-IBGZPJMESA-N	1	0	355.486	1.233	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2)C1	ZINC001027576960	805076197	/nfs/dbraw/zinc/07/61/97/805076197.db2.gz	AVHRUGMRPCMJPC-QRVBRYPASA-N	1	0	368.481	1.705	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001027579302	805108974	/nfs/dbraw/zinc/10/89/74/805108974.db2.gz	FUQMTETWFHLISE-BBWFWOEESA-N	1	0	370.453	1.111	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1	ZINC000423350378	815051001	/nfs/dbraw/zinc/05/10/01/815051001.db2.gz	ZDQFVVAPDJCKDZ-ROUUACIJSA-N	1	0	365.518	1.936	20	30		FDEDRO
C[C@@H]1C[C@H](CCNC(=O)NCC(=O)NCC#N)C[N@@H+]1Cc1ccccc1	ZINC000511907109	805289966	/nfs/dbraw/zinc/28/99/66/805289966.db2.gz	RNZFQJGQLRLINK-WBVHZDCISA-N	1	0	357.458	1.226	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC#Cc4ccccc4)C[C@H]32)O1	ZINC000978351611	805364723	/nfs/dbraw/zinc/36/47/23/805364723.db2.gz	ILFFVEMPZPBKHY-LELZANKISA-N	1	0	367.493	1.051	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1)C(C)(F)F	ZINC001112531325	807003572	/nfs/dbraw/zinc/00/35/72/807003572.db2.gz	REIDWTSSBFKCTM-IGCXYCKISA-N	1	0	356.417	1.136	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2COCCN2CC)C1	ZINC001087431529	807198784	/nfs/dbraw/zinc/19/87/84/807198784.db2.gz	UFIIBOZEONPYAW-NJYVYQBISA-N	1	0	369.509	1.705	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)C2=COCCC2)C1	ZINC000981023021	807406691	/nfs/dbraw/zinc/40/66/91/807406691.db2.gz	KLTHWKQLIRDHDH-JQHSSLGASA-N	1	0	359.470	1.179	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1	ZINC000423559540	815116322	/nfs/dbraw/zinc/11/63/22/815116322.db2.gz	NVPYIBSUZIYRNF-WBAXXEDZSA-N	1	0	370.453	1.044	20	30		FDEDRO
CC(C)(C(=O)N[C@@H]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1)[NH+]1CCCC1	ZINC000981184422	807641922	/nfs/dbraw/zinc/64/19/22/807641922.db2.gz	RHKFKHHEVBGEFR-GOEBONIOSA-N	1	0	371.485	1.775	20	30		FDEDRO
C=CCN1CC[C@@H](N2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1=O	ZINC000981199770	807705729	/nfs/dbraw/zinc/70/57/29/807705729.db2.gz	BNBNGCMYDKITNT-RCCFBDPRSA-N	1	0	362.518	1.038	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)cc1C#N	ZINC000423571070	815141982	/nfs/dbraw/zinc/14/19/82/815141982.db2.gz	VQEHYEPVPUXGDP-UHFFFAOYSA-N	1	0	356.426	1.638	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)cc1	ZINC001028047778	807721222	/nfs/dbraw/zinc/72/12/22/807721222.db2.gz	IGRHEOQFKWQFOO-ZGXWSNOMSA-N	1	0	369.465	1.690	20	30		FDEDRO
CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(Cc1ccc(C#N)cc1)C1CC1	ZINC000423575154	815145887	/nfs/dbraw/zinc/14/58/87/815145887.db2.gz	VFJLXKYTLVCQRT-SFHVURJKSA-N	1	0	356.470	1.881	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C	ZINC000278942287	807865739	/nfs/dbraw/zinc/86/57/39/807865739.db2.gz	XRZORYBZEKNZQZ-OAHLLOKOSA-N	1	0	373.453	1.657	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3nc(C)c[nH]3)C2)CC1	ZINC000981429923	808034327	/nfs/dbraw/zinc/03/43/27/808034327.db2.gz	VVSYDHDPZWOJLT-DOTOQJQBSA-N	1	0	371.485	1.078	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)[C@@H](C)C[NH2+]1	ZINC000423635972	815172504	/nfs/dbraw/zinc/17/25/04/815172504.db2.gz	SAQIHQRMDBHBBA-GJZGRUSLSA-N	1	0	370.453	1.137	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)C3CC(C)C3)C2)CC1	ZINC000981544084	808114280	/nfs/dbraw/zinc/11/42/80/808114280.db2.gz	FBROVDBCNWSLGQ-DHRZBBNESA-N	1	0	359.514	1.779	20	30		FDEDRO
CCc1ccc([C@H](CNC(=O)NCC(=O)NCC#N)[NH+](CC)CC)cc1	ZINC000432449760	808239074	/nfs/dbraw/zinc/23/90/74/808239074.db2.gz	NOBJDEDPZLPJAO-KRWDZBQOSA-N	1	0	359.474	1.571	20	30		FDEDRO
COC[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1CCCO1	ZINC000279071993	808271062	/nfs/dbraw/zinc/27/10/62/808271062.db2.gz	MUSONBJXBSMNJJ-IRXDYDNUSA-N	1	0	369.425	1.466	20	30		FDEDRO
C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)CC1	ZINC000423674417	815202840	/nfs/dbraw/zinc/20/28/40/815202840.db2.gz	PCSKDXPTAHINJL-QGTPRVQTSA-N	1	0	354.454	1.338	20	30		FDEDRO
CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1	ZINC000279143977	808473471	/nfs/dbraw/zinc/47/34/71/808473471.db2.gz	XWHLYOMOMBCTPH-UHFFFAOYSA-N	1	0	359.474	1.996	20	30		FDEDRO
O=C(NCC#Cc1cccc(F)c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000512163416	808589103	/nfs/dbraw/zinc/58/91/03/808589103.db2.gz	FQJXDRVHMIWHII-SFHVURJKSA-N	1	0	359.445	1.931	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)nc1	ZINC000981844441	808610390	/nfs/dbraw/zinc/61/03/90/808610390.db2.gz	PLDDJKQCHWXNPQ-DLBZAZTESA-N	1	0	354.454	1.173	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H](C[NH3+])C1CCCC1	ZINC000418613930	809077364	/nfs/dbraw/zinc/07/73/64/809077364.db2.gz	GEVQNOPOQGTBAM-HIFRSBDPSA-N	1	0	357.462	1.086	20	30		FDEDRO
N#CC1CCC(CNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1	ZINC000418887271	809296100	/nfs/dbraw/zinc/29/61/00/809296100.db2.gz	CSJQXDKLOWUEFX-MUDYYLEHSA-N	1	0	354.454	1.386	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NCCSCc1ccccc1C#N)[C@@H]1CCC[NH2+]C1	ZINC000418923866	809319267	/nfs/dbraw/zinc/31/92/67/809319267.db2.gz	ONJUUJMNAKRGJX-GDBMZVCRSA-N	1	0	374.510	1.412	20	30		FDEDRO
N#Cc1ccccc1OC1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1	ZINC000419028016	809424042	/nfs/dbraw/zinc/42/40/42/809424042.db2.gz	DGBMMMQDEXKDLS-AQFXKWCLSA-N	1	0	370.453	1.314	20	30		FDEDRO
CCC[NH2+]CCNC(=O)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	ZINC000419039969	809449795	/nfs/dbraw/zinc/44/97/95/809449795.db2.gz	WOQWZNQDSULCHP-UHFFFAOYSA-N	1	0	372.469	1.480	20	30		FDEDRO
CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000419110772	809583878	/nfs/dbraw/zinc/58/38/78/809583878.db2.gz	IMPRWRKRKGTSJO-UHFFFAOYSA-N	1	0	369.387	1.616	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1	ZINC001087442579	809691261	/nfs/dbraw/zinc/69/12/61/809691261.db2.gz	PHLAUQJBRZMRDF-QZTJIDSGSA-N	1	0	369.469	1.051	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1	ZINC000424106146	815311415	/nfs/dbraw/zinc/31/14/15/815311415.db2.gz	LQEDULZVAGMPMV-IAGOWNOFSA-N	1	0	358.442	1.233	20	30		FDEDRO
COc1ccc(CCC(=O)N2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)cc1	ZINC000424106154	815311723	/nfs/dbraw/zinc/31/17/23/815311723.db2.gz	LQNLEQIAQFVJFG-GOSISDBHSA-N	1	0	372.469	1.320	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])c1ccc(-c2cccc(C#N)c2)cc1	ZINC000419207725	809831180	/nfs/dbraw/zinc/83/11/80/809831180.db2.gz	MUZMEFYXZYEWOO-UONOGXRCSA-N	1	0	350.422	1.866	20	30		FDEDRO
COc1cc(OC)cc(N2CC[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)C2)c1	ZINC000424159258	815320588	/nfs/dbraw/zinc/32/05/88/815320588.db2.gz	VGONRXZVHSLICR-RDTXWAMCSA-N	1	0	360.458	1.667	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCn2cncn2)C1	ZINC001211736291	809926335	/nfs/dbraw/zinc/92/63/35/809926335.db2.gz	QDHPWRGAVZELOK-RBUKOAKNSA-N	1	0	369.469	1.455	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CNC(=O)C(CC)CC)C[C@H]1c1ccccc1	ZINC001211743910	809957186	/nfs/dbraw/zinc/95/71/86/809957186.db2.gz	OMCIIDAONDCQEM-RBUKOAKNSA-N	1	0	355.482	1.756	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cc2nnc(C)[nH]2)C1	ZINC001087455364	810062572	/nfs/dbraw/zinc/06/25/72/810062572.db2.gz	QNKDEIWWWHPYFW-QZTJIDSGSA-N	1	0	369.444	1.792	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N[C@@H]1CCCN(c2cnn(C)c2)C1	ZINC000261712207	810173428	/nfs/dbraw/zinc/17/34/28/810173428.db2.gz	VMBKJVYJMDJGKG-BZZMCLGOSA-N	1	0	372.517	1.512	20	30		FDEDRO
C#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1	ZINC001087457304	810185150	/nfs/dbraw/zinc/18/51/50/810185150.db2.gz	UCGOAOWFVRICKV-KURKYZTESA-N	1	0	357.429	1.354	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1C[C@@H](NC(=O)CC2CCCC2)[C@H](OC)C1	ZINC001211787204	810204028	/nfs/dbraw/zinc/20/40/28/810204028.db2.gz	IWDRMWWWONLMFO-QZTJIDSGSA-N	1	0	363.502	1.583	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(COC)c2)C[C@H]1OC	ZINC001212178178	810239742	/nfs/dbraw/zinc/23/97/42/810239742.db2.gz	LDFBGZRJRJQSAQ-QWFCFKBJSA-N	1	0	362.470	1.476	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)cc1	ZINC000419290851	810336047	/nfs/dbraw/zinc/33/60/47/810336047.db2.gz	RKRDBBPLMQLWFR-QZTJIDSGSA-N	1	0	354.454	1.555	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000937211637	810404981	/nfs/dbraw/zinc/40/49/81/810404981.db2.gz	NSKFWITULPORLS-YESZJQIVSA-N	1	0	357.458	1.290	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@]2(C)C1	ZINC000982574478	810414539	/nfs/dbraw/zinc/41/45/39/810414539.db2.gz	OHKLQYGVEYLTIT-WVPQZDDBSA-N	1	0	363.502	1.225	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@](CC)(C(=O)OC)c1ccccc1	ZINC000419353267	810600699	/nfs/dbraw/zinc/60/06/99/810600699.db2.gz	LELZDSQRASJXGZ-KUHUBIRLSA-N	1	0	361.442	1.497	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCn2nc(C)cc2C)C1	ZINC001028549053	810616905	/nfs/dbraw/zinc/61/69/05/810616905.db2.gz	LAYJROIBFFXHCU-OTWHNJEPSA-N	1	0	360.502	1.919	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2nnc(C3CC3)[nH]2)C1	ZINC001028549823	810619307	/nfs/dbraw/zinc/61/93/07/810619307.db2.gz	ZIPJYHRVZQTJAT-IMJJTQAJSA-N	1	0	359.474	1.601	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN(Cc2nc(C3CC3)no2)C1	ZINC001028549742	810619330	/nfs/dbraw/zinc/61/93/30/810619330.db2.gz	WXYKTHUAYXMCKK-BMFZPTHFSA-N	1	0	360.458	1.866	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@]2(C)C[N@@H+]([C@H]3CCNC3=O)C[C@]2(C)C1	ZINC000982639913	810676289	/nfs/dbraw/zinc/67/62/89/810676289.db2.gz	CCWFNHTWBZQRBC-IEYYFSCXSA-N	1	0	361.486	1.027	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCCC2)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000261758867	810737822	/nfs/dbraw/zinc/73/78/22/810737822.db2.gz	CTMRISWBKIWXMK-UHFFFAOYSA-N	1	0	361.494	1.021	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1	ZINC001087463039	810879912	/nfs/dbraw/zinc/87/99/12/810879912.db2.gz	NMIBQWMMVAFVDM-KBAYOESNSA-N	1	0	359.445	1.812	20	30		FDEDRO
Cc1cc(C)c(C[N@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)c(C)c1	ZINC001083390590	811175371	/nfs/dbraw/zinc/17/53/71/811175371.db2.gz	XUDLFLSGBJFHRN-MOPGFXCFSA-N	1	0	352.438	1.787	20	30		FDEDRO
N#CCSc1ccccc1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1	ZINC000729359446	811183836	/nfs/dbraw/zinc/18/38/36/811183836.db2.gz	FMYMEPQCEJPXQX-AWEZNQCLSA-N	1	0	360.483	1.619	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2COC(=O)N2)C1	ZINC001087464629	811205173	/nfs/dbraw/zinc/20/51/73/811205173.db2.gz	UMKRKQQHHVKOOG-BRWVUGGUSA-N	1	0	361.417	1.784	20	30		FDEDRO
CO[C@@H](C[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1)c1ccccc1	ZINC001083392806	811208540	/nfs/dbraw/zinc/20/85/40/811208540.db2.gz	ZXUGKQNHGXLJHN-SQNIBIBYSA-N	1	0	354.410	1.049	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)nn1	ZINC000424759862	815431982	/nfs/dbraw/zinc/43/19/82/815431982.db2.gz	WOUDLSIEHOHPSF-ROUUACIJSA-N	1	0	369.469	1.467	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)N1CCN(c2ncccn2)CC1	ZINC000261607961	811283836	/nfs/dbraw/zinc/28/38/36/811283836.db2.gz	DYNOBJHMBGPFOW-BZUAXINKSA-N	1	0	356.474	1.132	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)N1CCN(C(=O)c2ccco2)CC1	ZINC000261719328	811304534	/nfs/dbraw/zinc/30/45/34/811304534.db2.gz	WLJSLZDZWMPOBN-DJIMGWMZSA-N	1	0	372.469	1.570	20	30		FDEDRO
NC(=O)c1cnn2c1C[C@H](CNC(=[NH2+])Nc1cccc3c1CCCC3)CC2	ZINC000261930658	811347334	/nfs/dbraw/zinc/34/73/34/811347334.db2.gz	LBOXXBVZWJCKNQ-CYBMUJFWSA-N	1	0	366.469	1.850	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N1CC[C@H](Oc2ccccn2)C1	ZINC000261940074	811348430	/nfs/dbraw/zinc/34/84/30/811348430.db2.gz	DIUVGKBLKJFWDU-CVEARBPZSA-N	1	0	369.473	1.273	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCCC2)N1CC[C@H](C)[C@@H](n2ccnc2)C1	ZINC000261963420	811355339	/nfs/dbraw/zinc/35/53/39/811355339.db2.gz	KVGKBIFXIMLLBK-GJZGRUSLSA-N	1	0	356.478	1.469	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC000937359291	811360515	/nfs/dbraw/zinc/36/05/15/811360515.db2.gz	NCLCAHSUMKGAQL-XOKHGSTOSA-N	1	0	357.458	1.337	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000982826373	811381467	/nfs/dbraw/zinc/38/14/67/811381467.db2.gz	HBXVBDZZDFGXJY-RRQGHBQHSA-N	1	0	357.458	1.195	20	30		FDEDRO
[NH2+]=C(NC[C@@H]1COC2(CCCCCC2)O1)N1CCN(c2ncccn2)CC1	ZINC000262126607	811394322	/nfs/dbraw/zinc/39/43/22/811394322.db2.gz	KETCANQWEZVBPV-MRXNPFEDSA-N	1	0	374.489	1.379	20	30		FDEDRO
CN(C)C(=O)C[NH+]=C(NCc1ccccn1)N[C@H]1CCOc2ccccc21	ZINC000262298629	811436108	/nfs/dbraw/zinc/43/61/08/811436108.db2.gz	NAMKGPXTROKDPB-KRWDZBQOSA-N	1	0	367.453	1.729	20	30		FDEDRO
C[NH+]=C(NCC(=O)N1CCc2ccccc21)NC[C@H](O)c1ccc(C)o1	ZINC000262457858	811471925	/nfs/dbraw/zinc/47/19/25/811471925.db2.gz	VLFYBGZDFMMIEV-INIZCTEOSA-N	1	0	356.426	1.376	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1	ZINC000982865617	811746655	/nfs/dbraw/zinc/74/66/55/811746655.db2.gz	HTWLKTXFLLCXPX-KURKYZTESA-N	1	0	363.502	1.418	20	30		FDEDRO
N#CCC[C@H](NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)c1ccccc1	ZINC000419470960	811966005	/nfs/dbraw/zinc/96/60/05/811966005.db2.gz	GAUNECMQKSOALV-KRWDZBQOSA-N	1	0	354.454	1.750	20	30		FDEDRO
C[NH2+]CCCN(C)C(=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1	ZINC000419649420	812074297	/nfs/dbraw/zinc/07/42/97/812074297.db2.gz	SWOOVLAHNGZKSH-UHFFFAOYSA-N	1	0	364.449	1.909	20	30		FDEDRO
N#Cc1cccc(CCNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)c1	ZINC000419707532	812099475	/nfs/dbraw/zinc/09/94/75/812099475.db2.gz	MBSMSAFMFGCLOM-UHFFFAOYSA-N	1	0	350.422	1.204	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)C(=O)NCC[C@H]3CC[NH2+]C3)CC2)cc1	ZINC000419922241	812287317	/nfs/dbraw/zinc/28/73/17/812287317.db2.gz	ZGXNSBHVJCITST-MRXNPFEDSA-N	1	0	370.453	1.044	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])CC2)cc1	ZINC000420029857	813402888	/nfs/dbraw/zinc/40/28/88/813402888.db2.gz	DKEZIKUXDUITTC-QZTJIDSGSA-N	1	0	352.438	1.418	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1	ZINC000420057548	813413354	/nfs/dbraw/zinc/41/33/54/813413354.db2.gz	NJDHAIHPZKUCTA-CEXWTWQISA-N	1	0	368.481	1.918	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC1(C)CC[NH2+]CC1	ZINC000420100258	813456282	/nfs/dbraw/zinc/45/62/82/813456282.db2.gz	GBKWDHSLYYGPGS-UHFFFAOYSA-N	1	0	372.469	1.039	20	30		FDEDRO
C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1	ZINC000420105508	813460783	/nfs/dbraw/zinc/46/07/83/813460783.db2.gz	SOEASCUUZBIPCY-KSSFIOAISA-N	1	0	352.438	1.288	20	30		FDEDRO
C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1	ZINC000420105506	813460967	/nfs/dbraw/zinc/46/09/67/813460967.db2.gz	SOEASCUUZBIPCY-KBXCAEBGSA-N	1	0	352.438	1.288	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1	ZINC000420108711	813464311	/nfs/dbraw/zinc/46/43/11/813464311.db2.gz	YNLQWFXHAZKAEC-WMLDXEAASA-N	1	0	365.424	1.951	20	30		FDEDRO
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)NCC1=CC[NH2+]CC1	ZINC000420134516	813472071	/nfs/dbraw/zinc/47/20/71/813472071.db2.gz	FJDRIKLUTNNVAV-ZWKOTPCHSA-N	1	0	352.438	1.321	20	30		FDEDRO
C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	ZINC000420176449	813514768	/nfs/dbraw/zinc/51/47/68/813514768.db2.gz	ZTIOQDPDBTYUKQ-LEUOFYLZSA-N	1	0	354.454	1.541	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1	ZINC000420206412	813538352	/nfs/dbraw/zinc/53/83/52/813538352.db2.gz	JSIDMNXBHWDNSZ-CEXWTWQISA-N	1	0	368.481	1.801	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1	ZINC000420195961	813548382	/nfs/dbraw/zinc/54/83/82/813548382.db2.gz	ABOFRDBNCPFYAX-GUDVDZBRSA-N	1	0	355.482	1.748	20	30		FDEDRO
C[NH+](C)C1CCC(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1	ZINC000420896567	813852594	/nfs/dbraw/zinc/85/25/94/813852594.db2.gz	WLDPGNHVIVQIQB-OFLPRAFFSA-N	1	0	357.458	1.989	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1C#N	ZINC000421293818	814079378	/nfs/dbraw/zinc/07/93/78/814079378.db2.gz	FDSHPOKUEMKPNY-INIZCTEOSA-N	1	0	358.442	1.837	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCN(C(=O)C[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000983091098	814579181	/nfs/dbraw/zinc/57/91/81/814579181.db2.gz	MFNHXDUJRFPYOQ-VDGAXYAQSA-N	1	0	371.525	1.733	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21	ZINC000272667160	814772349	/nfs/dbraw/zinc/77/23/49/814772349.db2.gz	JPERKEXKSITWGN-YCPHGPKFSA-N	1	0	356.426	1.469	20	30		FDEDRO
Cn1cc(CNC(=[NH2+])NCCCN2CCOCC2)c(-c2ccccc2)n1	ZINC000272727579	814777274	/nfs/dbraw/zinc/77/72/74/814777274.db2.gz	AROMFOAWEJHTQZ-UHFFFAOYSA-N	1	0	356.474	1.214	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(F)F)n(C)n2)C[C@H]1C(F)(F)F	ZINC001112131120	814820827	/nfs/dbraw/zinc/82/08/27/814820827.db2.gz	KTTWIMTUJPRVQX-MWLCHTKSSA-N	1	0	364.318	1.974	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)cc1	ZINC000503510961	814833204	/nfs/dbraw/zinc/83/32/04/814833204.db2.gz	OEJRMTGGOKGABO-CVEARBPZSA-N	1	0	372.469	1.918	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1	ZINC000983184587	814857413	/nfs/dbraw/zinc/85/74/13/814857413.db2.gz	KNOQFDQDESRJAK-KSZLIROESA-N	1	0	363.502	1.274	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1	ZINC000434557760	815602611	/nfs/dbraw/zinc/60/26/11/815602611.db2.gz	SOKNUOITDAMKTH-OAHLLOKOSA-N	1	0	356.426	1.638	20	30		FDEDRO
Cc1onc(CC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1C#N	ZINC000430103662	815730174	/nfs/dbraw/zinc/73/01/74/815730174.db2.gz	LMVDNXHXMFTONA-KRWDZBQOSA-N	1	0	368.437	1.805	20	30		FDEDRO
NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)C1	ZINC001028804820	815739817	/nfs/dbraw/zinc/73/98/17/815739817.db2.gz	AXSBBDXZFKLDPU-OTWHNJEPSA-N	1	0	353.466	1.378	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cc(OC)ns2)C1	ZINC001028809957	815784910	/nfs/dbraw/zinc/78/49/10/815784910.db2.gz	ROTQGMTZXLDXEO-YUELXQCFSA-N	1	0	351.472	1.681	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1	ZINC001087465847	815846801	/nfs/dbraw/zinc/84/68/01/815846801.db2.gz	LUGFBOOCVGIQHW-KZNAEPCWSA-N	1	0	359.445	1.955	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1	ZINC000366613777	815861933	/nfs/dbraw/zinc/86/19/33/815861933.db2.gz	BGZCAQAMUZAABI-UHFFFAOYSA-N	1	0	373.428	1.909	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N[C@@H](C)C(C)C	ZINC001167957617	815901364	/nfs/dbraw/zinc/90/13/64/815901364.db2.gz	ZKKBCGATDPBPSG-BQFCYCMXSA-N	1	0	353.507	1.614	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)cc1	ZINC000514848042	816012486	/nfs/dbraw/zinc/01/24/86/816012486.db2.gz	JJQJPIDUFNIQRS-HNNXBMFYSA-N	1	0	351.410	1.970	20	30		FDEDRO
C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000514939812	816041767	/nfs/dbraw/zinc/04/17/67/816041767.db2.gz	QGILBKKUSRCETF-KGLIPLIRSA-N	1	0	358.442	1.170	20	30		FDEDRO
N#CC1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CC1	ZINC000425383277	816052382	/nfs/dbraw/zinc/05/23/82/816052382.db2.gz	IHDKEUAAFJYGTO-RBUKOAKNSA-N	1	0	366.465	1.481	20	30		FDEDRO
CC(C)(CNC(=O)N1CCN(c2cnccc2C#N)CC1)C[NH+]1CCCC1	ZINC000515196497	816147430	/nfs/dbraw/zinc/14/74/30/816147430.db2.gz	SDUKEWKROPCYOP-UHFFFAOYSA-N	1	0	370.501	1.907	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)NCc1ccc(S(C)(=O)=O)cc1)c1ccc(C#N)cc1	ZINC000425460239	816327115	/nfs/dbraw/zinc/32/71/15/816327115.db2.gz	QPNQBYQIXOYFLN-AWEZNQCLSA-N	1	0	371.462	1.929	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCN(c3ncccc3F)C2)cc1	ZINC000515832080	816463556	/nfs/dbraw/zinc/46/35/56/816463556.db2.gz	IYUCDDZHUGYIKD-DLBZAZTESA-N	1	0	370.428	1.895	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCNC(=O)CC2)C[C@H]1C(F)(F)F	ZINC001112137211	816478989	/nfs/dbraw/zinc/47/89/89/816478989.db2.gz	YJPIIJRKGPZIOO-BFHYXJOUSA-N	1	0	361.408	1.848	20	30		FDEDRO
C[N@H+](CCCN1C(=O)c2ccccc2C1=O)CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000425550217	816521174	/nfs/dbraw/zinc/52/11/74/816521174.db2.gz	WGDCKJXYLMKDDP-FQEVSTJZSA-N	1	0	368.437	1.413	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC000425870216	817271247	/nfs/dbraw/zinc/27/12/47/817271247.db2.gz	LCECMAQSHOEOER-FHLIZLRMSA-N	1	0	354.454	1.821	20	30		FDEDRO
C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)Nc2ccn(CCC#N)n2)cc1	ZINC000438317996	817538751	/nfs/dbraw/zinc/53/87/51/817538751.db2.gz	ZLLNJIYRZIAUKK-OAHLLOKOSA-N	1	0	372.429	1.742	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)Cc3c(F)cccc3C#N)ccn2)CC1	ZINC000506344004	817699356	/nfs/dbraw/zinc/69/93/56/817699356.db2.gz	WLQAOBGNVWTTQB-UHFFFAOYSA-N	1	0	367.428	1.703	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)ccc1F	ZINC000518214449	817796083	/nfs/dbraw/zinc/79/60/83/817796083.db2.gz	SUMUOGKVZBOLHO-INIZCTEOSA-N	1	0	374.416	1.349	20	30		FDEDRO
CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NCC1(C#N)CC1	ZINC000518238382	817808757	/nfs/dbraw/zinc/80/87/57/817808757.db2.gz	XJFVLCMXJOHFBJ-UHFFFAOYSA-N	1	0	355.486	1.749	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)c1C#N	ZINC000518354330	817850227	/nfs/dbraw/zinc/85/02/27/817850227.db2.gz	MSDMFYWLLIAWKN-UHFFFAOYSA-N	1	0	354.414	1.841	20	30		FDEDRO
C[C@@]1(C2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)NC(=O)NC1=O	ZINC000437884320	817885654	/nfs/dbraw/zinc/88/56/54/817885654.db2.gz	ZRUMZIYUSWAWJU-IBGZPJMESA-N	1	0	369.425	1.197	20	30		FDEDRO
C[NH+]=C(NCc1c(OC)cc(OC)cc1OC)N1CC[C@]2(CCOC2)C1	ZINC000261988225	817921020	/nfs/dbraw/zinc/92/10/20/817921020.db2.gz	QSUMTJWGOQZQTA-IBGZPJMESA-N	1	0	363.458	1.900	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CCNC(=O)C2)C1	ZINC001087473813	818239826	/nfs/dbraw/zinc/23/98/26/818239826.db2.gz	XLUOMBHTNDUKMJ-WDSOQIARSA-N	1	0	371.481	1.682	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2ncn(C)n2)C1	ZINC001087473903	818243513	/nfs/dbraw/zinc/24/35/13/818243513.db2.gz	AYCKVXGJQSXSBL-ROUUACIJSA-N	1	0	369.469	1.988	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)Cc2ncc[nH]2)C1	ZINC001087476545	818378425	/nfs/dbraw/zinc/37/84/25/818378425.db2.gz	SYAZXFZSSQPAEB-OALUTQOASA-N	1	0	366.465	1.958	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1	ZINC000983700325	818602877	/nfs/dbraw/zinc/60/28/77/818602877.db2.gz	KXZXGRQUBVOYRP-KBMXLJTQSA-N	1	0	357.458	1.195	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnnn2C(C)C)C1	ZINC000983699635	818610219	/nfs/dbraw/zinc/61/02/19/818610219.db2.gz	WWKJBEPUFJTWHR-FPCVCCKLSA-N	1	0	362.478	1.220	20	30		FDEDRO
C[C@@H]([NH2+]Cc1ccc(C#N)s1)C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1	ZINC001029145214	818932238	/nfs/dbraw/zinc/93/22/38/818932238.db2.gz	UCBOXLZJFGNARU-LYRGGWFBSA-N	1	0	360.483	1.458	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(=O)[nH]n2)CCN1Cc1cc(F)ccc1C#N	ZINC001087491909	819138907	/nfs/dbraw/zinc/13/89/07/819138907.db2.gz	WMRSBWBQGXBAIY-DOTOQJQBSA-N	1	0	369.400	1.976	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000895010542	819461351	/nfs/dbraw/zinc/46/13/51/819461351.db2.gz	YGCYKJUUNIRTGZ-GOSISDBHSA-N	1	0	356.470	1.311	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cncc(-n2ccnn2)c1	ZINC000328685087	819533660	/nfs/dbraw/zinc/53/36/60/819533660.db2.gz	FLIAXEAAGCCPGV-MSOLQXFVSA-N	1	0	370.457	1.735	20	30		FDEDRO
CC(=O)N1CCC(CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1	ZINC000328705275	819537186	/nfs/dbraw/zinc/53/71/86/819537186.db2.gz	LBJYBLDGXKREEX-SFHVURJKSA-N	1	0	366.506	1.203	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H]3CCC(=O)NC34CCC4)C2)CC1	ZINC000328710121	819538981	/nfs/dbraw/zinc/53/89/81/819538981.db2.gz	BPSDBPNMZKVQFU-CVEARBPZSA-N	1	0	363.506	1.654	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H]2CCC(=O)NC23CCC3)CC1	ZINC000328762708	819546239	/nfs/dbraw/zinc/54/62/39/819546239.db2.gz	ZLLIWMOOGFJAJU-CVEARBPZSA-N	1	0	365.522	1.805	20	30		FDEDRO
COCC1(O)CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1	ZINC000328810149	819551127	/nfs/dbraw/zinc/55/11/27/819551127.db2.gz	DUIOWYSWWLIHON-SJORKVTESA-N	1	0	369.506	1.142	20	30		FDEDRO
C[NH+]1CCC(Oc2ccc(CNC(=O)NCC(=O)N3CCCC3)cc2)CC1	ZINC000328854374	819566796	/nfs/dbraw/zinc/56/67/96/819566796.db2.gz	CIVQDCNHGVMVKV-UHFFFAOYSA-N	1	0	374.485	1.786	20	30		FDEDRO
C[C@@H]1CN(c2ccc(NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)cn2)C[C@@H](C)O1	ZINC000328936438	819584216	/nfs/dbraw/zinc/58/42/16/819584216.db2.gz	QUVRISJRXOZTIC-INMHGKMJSA-N	1	0	359.474	1.673	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)CC1	ZINC000328908748	819590974	/nfs/dbraw/zinc/59/09/74/819590974.db2.gz	MILKEVPDIVISFO-BXWFABGCSA-N	1	0	361.490	1.166	20	30		FDEDRO
COCCN1C[C@H](C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1=O	ZINC000328921549	819593835	/nfs/dbraw/zinc/59/38/35/819593835.db2.gz	CFKDZEKVPIAVKO-OIISXLGYSA-N	1	0	367.490	1.206	20	30		FDEDRO
CCN(C)C(=O)[C@@H](C)NC(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1	ZINC000330994495	819660578	/nfs/dbraw/zinc/66/05/78/819660578.db2.gz	BYNCJNDEZCXLMN-PVAVHDDUSA-N	1	0	361.490	1.787	20	30		FDEDRO
CN(C)C(=O)c1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)cc1	ZINC001075781566	819662561	/nfs/dbraw/zinc/66/25/61/819662561.db2.gz	PZDDKBUEBQHZRC-VQTJNVASSA-N	1	0	365.477	1.835	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1	ZINC000983889563	819945090	/nfs/dbraw/zinc/94/50/90/819945090.db2.gz	YVFJEHPSTPGTCO-PBHICJAKSA-N	1	0	371.485	1.585	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCc4ccccc4C3)C[C@@H]2O)[nH]1	ZINC001083413975	820136880	/nfs/dbraw/zinc/13/68/80/820136880.db2.gz	GGOLKHBRMRYMHU-XMCHAPAWSA-N	1	0	364.449	1.466	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)Cc2cnn(C)c2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087516461	820306939	/nfs/dbraw/zinc/30/69/39/820306939.db2.gz	BOLRWYVIDURFMN-VQTJNVASSA-N	1	0	350.466	1.983	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cn(C)nc3C)[C@H]2CC)C1=O	ZINC001087523910	820424239	/nfs/dbraw/zinc/42/42/39/820424239.db2.gz	RWZPWBVDCHYIIO-BBWFWOEESA-N	1	0	359.474	1.098	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1)n1cnc(C#N)n1	ZINC000467426085	820442306	/nfs/dbraw/zinc/44/23/06/820442306.db2.gz	CJCKBWNNFPWNBY-ZDUSSCGKSA-N	1	0	354.414	1.306	20	30		FDEDRO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cc(C#N)ccc1Br	ZINC000895116489	820497420	/nfs/dbraw/zinc/49/74/20/820497420.db2.gz	XKRWRMRPDMZERE-LBPRGKRZSA-N	1	0	365.275	1.873	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)Nc1ccc(OCCCN2CC[NH+](C)CC2)cc1	ZINC000652815135	820524805	/nfs/dbraw/zinc/52/48/05/820524805.db2.gz	XFDDRAVSRLCVAZ-HXUWFJFHSA-N	1	0	361.486	1.969	20	30		FDEDRO
C#CCOc1ccccc1C[NH2+]Cc1ccc(OCC(N)=O)c(OC)c1	ZINC000067452246	820525340	/nfs/dbraw/zinc/52/53/40/820525340.db2.gz	QUJKXRMMZDNZKS-UHFFFAOYSA-N	1	0	354.406	1.861	20	30		FDEDRO
C=CCn1cc(CNC(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)nn1	ZINC000665182146	820543040	/nfs/dbraw/zinc/54/30/40/820543040.db2.gz	GESNWLQNDDBQNA-IBGZPJMESA-N	1	0	368.485	1.923	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cncc(C)c3)[C@H]2CC)C1=O	ZINC001087529628	820607729	/nfs/dbraw/zinc/60/77/29/820607729.db2.gz	NTLYRRJJLDUWSA-KSZLIROESA-N	1	0	356.470	1.760	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NCC3(C)CC[NH+](C)CC3)cc2C1=O	ZINC000507860627	820762402	/nfs/dbraw/zinc/76/24/02/820762402.db2.gz	OZVBJVKESFDGGW-UHFFFAOYSA-N	1	0	355.438	1.930	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCn3nc(C)nc3C)C[C@H]21	ZINC001075807498	820865452	/nfs/dbraw/zinc/86/54/52/820865452.db2.gz	FGZXAYCAOPNZCA-MANSERQUSA-N	1	0	373.501	1.409	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3cccnc3)[C@H]2CC)C1=O	ZINC001087542640	821169559	/nfs/dbraw/zinc/16/95/59/821169559.db2.gz	XHMBIQDJVWPSQO-KSZLIROESA-N	1	0	356.470	1.380	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+][C@H]3CCCN(O)C3=O)C[C@@H]2C1	ZINC000895158725	821189486	/nfs/dbraw/zinc/18/94/86/821189486.db2.gz	NCPYHAJSIPANKX-XGUBFFRZSA-N	1	0	353.463	1.992	20	30		FDEDRO
C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CCCN(O)C1=O	ZINC000895160224	821209235	/nfs/dbraw/zinc/20/92/35/821209235.db2.gz	LCLZKVIZBWALSI-CZUORRHYSA-N	1	0	359.426	1.811	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1CCCN1CCCC1=O	ZINC001087546391	821257683	/nfs/dbraw/zinc/25/76/83/821257683.db2.gz	DVIBLDGECVAJAQ-DLBZAZTESA-N	1	0	357.458	1.482	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)CN2CCOCC2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087546940	821278852	/nfs/dbraw/zinc/27/88/52/821278852.db2.gz	MXVWVGDFKHKHOJ-RBUKOAKNSA-N	1	0	356.470	1.360	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)CN2CN=NC2=O)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087548701	821308303	/nfs/dbraw/zinc/30/83/03/821308303.db2.gz	KCQBVVVYRZOJOP-UONOGXRCSA-N	1	0	360.443	1.086	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+]1Cc1ccc(C#N)c(F)c1	ZINC001087559832	821487612	/nfs/dbraw/zinc/48/76/12/821487612.db2.gz	CYYIURDMSYYEKN-HRCADAONSA-N	1	0	360.389	1.275	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)Cc2nnc(C)[nH]2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087567856	821542552	/nfs/dbraw/zinc/54/25/52/821542552.db2.gz	KTFHBJJHETULJR-DLBZAZTESA-N	1	0	352.442	1.697	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCCC2)[C@@H]1CC	ZINC001087576387	821580883	/nfs/dbraw/zinc/58/08/83/821580883.db2.gz	DZSPRGOWBYBADB-XDNAFOTISA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnn4c3CCC4)[C@H]2CC)C1=O	ZINC001087595632	821659016	/nfs/dbraw/zinc/65/90/16/821659016.db2.gz	NXVUIHZSSSCJGC-LZLYRXPVSA-N	1	0	371.485	1.199	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCNC2=O)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087600482	821683089	/nfs/dbraw/zinc/68/30/89/821683089.db2.gz	WMUKMORYVQWEML-OKZBNKHCSA-N	1	0	354.454	1.554	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cnccc2C)[C@@H]1CC	ZINC001087607169	821714464	/nfs/dbraw/zinc/71/44/64/821714464.db2.gz	OTZZBDQUHLGNPU-ZCNNSNEGSA-N	1	0	354.498	1.957	20	30		FDEDRO
C#Cc1cncc(C(=O)N(C)[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC000984262644	822053527	/nfs/dbraw/zinc/05/35/27/822053527.db2.gz	WQWUZYRTNRODRU-ATZDWAIDSA-N	1	0	368.481	1.466	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@]2(C)CCC(=O)NC2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087696131	822086260	/nfs/dbraw/zinc/08/62/60/822086260.db2.gz	IPPQSTUJCPIJCV-NNMXDRDESA-N	1	0	367.493	1.924	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](C[C@H](O)CN3CCCC3=O)[C@@H]2CC)C1	ZINC001087717862	822181237	/nfs/dbraw/zinc/18/12/37/822181237.db2.gz	QOILCAVDGPQUPK-YESZJQIVSA-N	1	0	363.502	1.295	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)[C@H]1CC	ZINC001087757169	822380529	/nfs/dbraw/zinc/38/05/29/822380529.db2.gz	GDZFBQSCIZHMSJ-IMBTUZDBSA-N	1	0	354.454	1.203	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C(=O)N2CC[C@@H](C)C2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087789975	822434581	/nfs/dbraw/zinc/43/45/81/822434581.db2.gz	PBCYWQGCQCGQAG-AYOQOUSVSA-N	1	0	368.481	1.896	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](CCN2CCCC2=O)[C@@H]1CC	ZINC001087810137	822468921	/nfs/dbraw/zinc/46/89/21/822468921.db2.gz	DQZMIHZCLPYXOX-VQTJNVASSA-N	1	0	367.493	1.802	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN(CC)CCO2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087837068	822547777	/nfs/dbraw/zinc/54/77/77/822547777.db2.gz	SKULGVHTPHMIKU-ZCNNSNEGSA-N	1	0	370.497	1.748	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3csnn3)[C@@H]2CC)CC1	ZINC001087840442	822559548	/nfs/dbraw/zinc/55/95/48/822559548.db2.gz	XQRSSIOVUOCMCH-DLBZAZTESA-N	1	0	361.515	1.352	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3nccn3CC)[C@@H]2CC)CC1	ZINC001087840390	822559688	/nfs/dbraw/zinc/55/96/88/822559688.db2.gz	VUPUOHBOGMOCQK-RBUKOAKNSA-N	1	0	371.529	1.717	20	30		FDEDRO
CN1CCN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC[N@H+](C)CC1	ZINC000895410240	822587274	/nfs/dbraw/zinc/58/72/74/822587274.db2.gz	PHHCKRYNOXTXBM-LJQANCHMSA-N	1	0	355.486	1.824	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CCC[N@@H+]1C	ZINC000474183057	822620973	/nfs/dbraw/zinc/62/09/73/822620973.db2.gz	OBMKENVEYLWFNZ-JLSDUUJJSA-N	1	0	354.454	1.648	20	30		FDEDRO
O=C(NCC#C[C@@H]1CCCCO1)NCC1CC[NH+](C2CCOCC2)CC1	ZINC000895637672	822683253	/nfs/dbraw/zinc/68/32/53/822683253.db2.gz	XYJZJZGOPALXSU-IBGZPJMESA-N	1	0	363.502	1.749	20	30		FDEDRO
CCO/C=C/[C@](O)(C[NH2+]Cc1cnc2c(C#N)cnn2c1)C(F)(F)F	ZINC000895708232	822707473	/nfs/dbraw/zinc/70/74/73/822707473.db2.gz	PCYCIUBYUQEDKJ-XGACYXMMSA-N	1	0	355.320	1.534	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4COCCO4)C[C@@H]3C2)c1	ZINC001087892454	822738686	/nfs/dbraw/zinc/73/86/86/822738686.db2.gz	ARPJSARBEQHTPI-QYZOEREBSA-N	1	0	355.438	1.254	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)/C=C(/C)C4CC4)C[C@@H]3C2)C1=O	ZINC001087898019	822755651	/nfs/dbraw/zinc/75/56/51/822755651.db2.gz	BQEPOOYTZLYQHE-HHGDFGMRSA-N	1	0	357.498	1.910	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@H](C)N(CC)C[C@H]1C	ZINC000441078995	828532501	/nfs/dbraw/zinc/53/25/01/828532501.db2.gz	XRPAVRLGLVIYJO-UONOGXRCSA-N	1	0	358.442	1.837	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](CCc3ccc4c(c3)OCCO4)CC[C@@H]2C1	ZINC001087911463	823771654	/nfs/dbraw/zinc/77/16/54/823771654.db2.gz	WFGBUIABKFSFNB-JQHSSLGASA-N	1	0	369.465	1.940	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]3C2)C1=O	ZINC001087940847	824038886	/nfs/dbraw/zinc/03/88/86/824038886.db2.gz	ZCWGJJKSENQPIU-HFTRVMKXSA-N	1	0	367.453	1.067	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)Cc3cncnc3)C[C@@H]2C1	ZINC001087949321	824086381	/nfs/dbraw/zinc/08/63/81/824086381.db2.gz	VFQKSMIRMSPEFN-UXHICEINSA-N	1	0	361.449	1.871	20	30		FDEDRO
COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](O)C(C)C)C[C@@H]3C2)cc1C#N	ZINC001087955219	824142591	/nfs/dbraw/zinc/14/25/91/824142591.db2.gz	CFCXYZCPWLQZFG-IMFGXOCKSA-N	1	0	371.481	1.864	20	30		FDEDRO
Cn1cnc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)CC[C@@H]3C2)n1	ZINC001087957463	824154681	/nfs/dbraw/zinc/15/46/81/824154681.db2.gz	SUPLOXYXNYTPIQ-SJORKVTESA-N	1	0	350.426	1.281	20	30		FDEDRO
Cn1ccc(CC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4C#N)CC[C@@H]3C2)n1	ZINC001087963633	824212123	/nfs/dbraw/zinc/21/21/23/824212123.db2.gz	ATIXUQYGFDGPCO-MOPGFXCFSA-N	1	0	363.465	1.815	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1	ZINC000984671088	824447386	/nfs/dbraw/zinc/44/73/86/824447386.db2.gz	SRUZYJUHAIQGQN-KSZLIROESA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)Cn2ccnc2C)C1	ZINC000984671785	824450909	/nfs/dbraw/zinc/45/09/09/824450909.db2.gz	YLBSQMUJOUHBCW-ZACQAIPSSA-N	1	0	360.458	1.232	20	30		FDEDRO
COc1cccc(N2CCN(C(NCC(=O)N(C)C)=[NH+]C3CC3)CC2)c1	ZINC000262270941	824497524	/nfs/dbraw/zinc/49/75/24/824497524.db2.gz	UUFGSPVYBKBBIC-UHFFFAOYSA-N	1	0	359.474	1.013	20	30		FDEDRO
CC[N@@H+]1C[C@H](C)N(CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)C[C@H]1C	ZINC000329013109	824533668	/nfs/dbraw/zinc/53/36/68/824533668.db2.gz	FEEDRSMMTNYTCV-OLZOCXBDSA-N	1	0	358.442	1.915	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)C1	ZINC000329020580	824534725	/nfs/dbraw/zinc/53/47/25/824534725.db2.gz	HTCOEOUNTJZUBS-ULQDDVLXSA-N	1	0	366.506	1.344	20	30		FDEDRO
Cn1cc(N2CCC[C@H](NC(=O)N3CCCC34CC[NH+](C)CC4)C2)cn1	ZINC000329042172	824543129	/nfs/dbraw/zinc/54/31/29/824543129.db2.gz	DRYJLJVMYIKTOP-INIZCTEOSA-N	1	0	360.506	1.863	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)C[N@@H+]1Cc1ccccc1	ZINC000329050767	824548101	/nfs/dbraw/zinc/54/81/01/824548101.db2.gz	KTTVVAHJDVCSGH-DDBAPUKQSA-N	1	0	371.485	1.866	20	30		FDEDRO
COc1cc(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2cncn2C)nn1C	ZINC000329078199	824562136	/nfs/dbraw/zinc/56/21/36/824562136.db2.gz	QHQDVJBVYIMENT-SJKOYZFVSA-N	1	0	372.429	1.362	20	30		FDEDRO
CC(C)[C@H](C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1)N1CCCC1=O	ZINC000329160714	824637623	/nfs/dbraw/zinc/63/76/23/824637623.db2.gz	FIJFTVXLRCNXJW-NVXWUHKLSA-N	1	0	364.490	1.285	20	30		FDEDRO
Cc1nn(C)c(C)c1OCC(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1	ZINC000329189197	824654460	/nfs/dbraw/zinc/65/44/60/824654460.db2.gz	QPUUIVPFBRNEMZ-OAHLLOKOSA-N	1	0	363.462	1.067	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1	ZINC000329194185	824660498	/nfs/dbraw/zinc/66/04/98/824660498.db2.gz	SUMKAALKGPTQJW-KSSFIOAISA-N	1	0	370.453	1.977	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@H]3[C@@H]4CCC[C@@H]43)[C@H]2CC)CC1	ZINC000984739991	824663907	/nfs/dbraw/zinc/66/39/07/824663907.db2.gz	ZXDLMACMIDCONM-PXTPFGJHSA-N	1	0	371.525	1.873	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3COc4ccccc4C3)CC2)C1=O	ZINC000329205667	824665963	/nfs/dbraw/zinc/66/59/63/824665963.db2.gz	XXFDVGUENURXGH-RDJZCZTQSA-N	1	0	357.454	1.889	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC000984742313	824676410	/nfs/dbraw/zinc/67/64/10/824676410.db2.gz	GTAMAMAQADOXTK-SOLBZPMBSA-N	1	0	369.469	1.337	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)C1	ZINC000329236256	824686593	/nfs/dbraw/zinc/68/65/93/824686593.db2.gz	OELQFZNGWNXAKP-IAGOWNOFSA-N	1	0	365.522	1.902	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CC[NH+]1CCCCC1	ZINC000984744651	824687485	/nfs/dbraw/zinc/68/74/85/824687485.db2.gz	OLZPZIHUBAGDQJ-FUHWJXTLSA-N	1	0	371.485	1.872	20	30		FDEDRO
C[C@@H]1CCC[C@](CNC(=O)N2CC[C@@]3(C2)NC(=O)N(C)C3=O)([NH+](C)C)C1	ZINC000329263462	824701770	/nfs/dbraw/zinc/70/17/70/824701770.db2.gz	ZUFXNOVVKWTIJE-BVGQSLNGSA-N	1	0	365.478	1.241	20	30		FDEDRO
O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1	ZINC000329309642	824726923	/nfs/dbraw/zinc/72/69/23/824726923.db2.gz	FNVDIYWDLZWTCH-YESZJQIVSA-N	1	0	365.474	1.366	20	30		FDEDRO
Cn1cc(CN2CCCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)cn1	ZINC000329330643	824740238	/nfs/dbraw/zinc/74/02/38/824740238.db2.gz	LUKHRZHGBHKUKT-MSOLQXFVSA-N	1	0	360.506	1.469	20	30		FDEDRO
C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H](c1nccn1C)C1CCOCC1	ZINC000329332863	824741761	/nfs/dbraw/zinc/74/17/61/824741761.db2.gz	JWKLBEVCPJCIOB-OIISXLGYSA-N	1	0	361.490	1.970	20	30		FDEDRO
C[N@@H+]1CCCN(C(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)CC1	ZINC000329372211	824759268	/nfs/dbraw/zinc/75/92/68/824759268.db2.gz	JIRBHPBDGAHHNT-UHFFFAOYSA-N	1	0	359.409	1.862	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)N3CC[NH+](C4CCC4)CC3)ccn2)CC1	ZINC000329387229	824765870	/nfs/dbraw/zinc/76/58/70/824765870.db2.gz	QVCTUHBKRXETDV-UHFFFAOYSA-N	1	0	372.517	1.418	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@H]1C[N@@H+](C)CCN1C	ZINC000329436030	824786378	/nfs/dbraw/zinc/78/63/78/824786378.db2.gz	JERUZWVQYNFDMM-MRXNPFEDSA-N	1	0	369.473	1.353	20	30		FDEDRO
O=C(NCc1ccc(CN2CCOCC2)cc1)N[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000329466523	824812964	/nfs/dbraw/zinc/81/29/64/824812964.db2.gz	SBCDEMXBEAWSNO-GOSISDBHSA-N	1	0	358.486	1.759	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)C1	ZINC000329588855	824904444	/nfs/dbraw/zinc/90/44/44/824904444.db2.gz	SLTXDCJFYAIQEU-OAHLLOKOSA-N	1	0	357.458	1.996	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)C[N@@H+]1CC[C@H](C)C1	ZINC000984789716	824919259	/nfs/dbraw/zinc/91/92/59/824919259.db2.gz	CEJAYKZEQISFEH-RRQGHBQHSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnc(C(C)C)n2C)C1	ZINC000984825610	825032407	/nfs/dbraw/zinc/03/24/07/825032407.db2.gz	DCEKJWQYIKYEPR-FPCVCCKLSA-N	1	0	361.490	1.514	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c(c3)NC(=O)CO4)C[C@@H]2C1	ZINC001088001147	825067110	/nfs/dbraw/zinc/06/71/10/825067110.db2.gz	WEVOYDBKFVZFRE-CVEARBPZSA-N	1	0	355.438	1.988	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCNC3=O)C[C@@H]2C1	ZINC001088002908	825113970	/nfs/dbraw/zinc/11/39/70/825113970.db2.gz	YIZVDXMYWPVLHR-CEXWTWQISA-N	1	0	366.465	1.365	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@@H]1CCC[C@H](C(=O)N(C)C)C1)=[NH+]C1CCCC1	ZINC000262316878	825134281	/nfs/dbraw/zinc/13/42/81/825134281.db2.gz	QVAITMGEUSAOHD-GOEBONIOSA-N	1	0	365.522	1.199	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000984871410	825192237	/nfs/dbraw/zinc/19/22/37/825192237.db2.gz	MXYZJHDZAWFESM-FUHWJXTLSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3nc(C)c(C)[nH]c3=O)C[C@@H]2C1	ZINC001088009073	825210648	/nfs/dbraw/zinc/21/06/48/825210648.db2.gz	QRDYNSWIQPNTMF-KGLIPLIRSA-N	1	0	350.850	1.533	20	30		FDEDRO
C[N@H+](Cc1cc(F)ccc1C#N)C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1	ZINC000985651729	828750742	/nfs/dbraw/zinc/75/07/42/828750742.db2.gz	XPHUVZIOKPXMQZ-SJORKVTESA-N	1	0	358.417	1.242	20	30		FDEDRO
Cc1ccc([C@H](CN2CCOCC2)[NH2+]CC(=O)NC2(C#N)CCC2)cc1	ZINC000525893721	828755929	/nfs/dbraw/zinc/75/59/29/828755929.db2.gz	IBDZWBLKVJZJIJ-SFHVURJKSA-N	1	0	356.470	1.520	20	30		FDEDRO
O=C(C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)NCC1(N2CCOCC2)CCCCC1	ZINC000329677645	825285287	/nfs/dbraw/zinc/28/52/87/825285287.db2.gz	WRIHMIJTWIYVQW-KSZLIROESA-N	1	0	365.518	1.681	20	30		FDEDRO
O=C(C[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)N1CCN(C(=O)Nc2ccccc2)CC1	ZINC000329678943	825286784	/nfs/dbraw/zinc/28/67/84/825286784.db2.gz	XGGDCPDPJWWDOJ-CGTJXYLNSA-N	1	0	372.469	1.079	20	30		FDEDRO
C[C@@H]1CCCC[C@@H]1[NH+]=C(NCC(=O)N(C)C)N1CC[C@H]([C@@H]2CCOC2)C1	ZINC000262333562	825295909	/nfs/dbraw/zinc/29/59/09/825295909.db2.gz	VPKRKBNWTJVGQA-XDNAFOTISA-N	1	0	364.534	1.957	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc4c(c3)NC(=O)CO4)C[C@@H]2C1	ZINC001088028642	825428208	/nfs/dbraw/zinc/42/82/08/825428208.db2.gz	XBSYEDWIYNUYKH-HIFRSBDPSA-N	1	0	356.426	1.383	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(OC)cc3)C[C@@H]2C1	ZINC001088030818	825447232	/nfs/dbraw/zinc/44/72/32/825447232.db2.gz	KMXRKGFHLLYNLM-CVEARBPZSA-N	1	0	357.454	1.990	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(OC)nn2)C1	ZINC000984921660	825449619	/nfs/dbraw/zinc/44/96/19/825449619.db2.gz	SDDWVJFIBHPHOI-MBGYTDRXSA-N	1	0	360.458	1.451	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC000984922137	825451689	/nfs/dbraw/zinc/45/16/89/825451689.db2.gz	WYGDNBUDBNDVNO-SOLBZPMBSA-N	1	0	369.469	1.337	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ncnn2C(C)C)C1	ZINC000984922610	825453510	/nfs/dbraw/zinc/45/35/10/825453510.db2.gz	XSQDZZDXSLNLKU-OVWQWFNUSA-N	1	0	361.490	1.825	20	30		FDEDRO
[O-]C(=[NH+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CC[C@@H](n2cccn2)C1	ZINC000329794868	825460281	/nfs/dbraw/zinc/46/02/81/825460281.db2.gz	GGRDNQUUOXABHR-KURKYZTESA-N	1	0	361.490	1.812	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3cccc4c3OCC(=O)N4)C2)CC1	ZINC000329795866	825460324	/nfs/dbraw/zinc/46/03/24/825460324.db2.gz	WQGRHSDYBAYWRH-AWEZNQCLSA-N	1	0	373.457	1.924	20	30		FDEDRO
CC(C)[NH+]1CCN(c2cccc(NC(=O)CN3CCOCC3=O)c2)CC1	ZINC000329838154	825494078	/nfs/dbraw/zinc/49/40/78/825494078.db2.gz	IPKIIVXHEHQCLB-UHFFFAOYSA-N	1	0	360.458	1.664	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCc3ccccc3C2=O)C1	ZINC000329842493	825498788	/nfs/dbraw/zinc/49/87/88/825498788.db2.gz	OYPRHZVHBGEERW-KRWDZBQOSA-N	1	0	359.470	1.998	20	30		FDEDRO
CC(=O)N1CCC(NC(NCC(=O)N(C)C)=[NH+][C@@H]2CCCC[C@@H]2C)CC1	ZINC000262342370	825514767	/nfs/dbraw/zinc/51/47/67/825514767.db2.gz	XJGKQAJZFSVLAL-WMLDXEAASA-N	1	0	365.522	1.199	20	30		FDEDRO
CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1CC[NH+](C2CCOCC2)CC1	ZINC000329940955	825556082	/nfs/dbraw/zinc/55/60/82/825556082.db2.gz	BWUJCYUHWZTXDI-SFHVURJKSA-N	1	0	374.485	1.734	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)C12CCOCC2	ZINC000329945709	825557967	/nfs/dbraw/zinc/55/79/67/825557967.db2.gz	FYLKZKOGJLGQKK-LUKYLMHMSA-N	1	0	369.506	1.262	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(C)[C@H](c2nccn2C)C1)[N@@H+]1CCC[C@@H](C)C1	ZINC000329977000	825574114	/nfs/dbraw/zinc/57/41/14/825574114.db2.gz	ZFQKIMMUKUHCER-ZACQAIPSSA-N	1	0	362.522	1.743	20	30		FDEDRO
C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1cc(-n2cnnn2)ccc1F	ZINC000329988796	825579879	/nfs/dbraw/zinc/57/98/79/825579879.db2.gz	URXLWWGDHWKDGO-JSGCOSHPSA-N	1	0	359.409	1.558	20	30		FDEDRO
CN(C)C(=O)CNC(=[NH+]C1CCCC1)N1CCC[C@@H](C2(C)OCCO2)C1	ZINC000262350717	825696391	/nfs/dbraw/zinc/69/63/91/825696391.db2.gz	YVEQCQZNWFPNFJ-OAHLLOKOSA-N	1	0	366.506	1.438	20	30		FDEDRO
CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000330204883	825732237	/nfs/dbraw/zinc/73/22/37/825732237.db2.gz	CZLLVCYFFURDPP-AEFFLSMTSA-N	1	0	366.506	1.202	20	30		FDEDRO
CC1(C)C(=O)NC(=O)N1CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000330214987	825737324	/nfs/dbraw/zinc/73/73/24/825737324.db2.gz	GPPJTPXEXSXYJW-KGLIPLIRSA-N	1	0	366.462	1.882	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC(=O)N[C@@H]2CCCC[C@@H]21	ZINC000330236116	825749746	/nfs/dbraw/zinc/74/97/46/825749746.db2.gz	UIEAHRYNKUBCLH-TWMKSMIVSA-N	1	0	364.490	1.862	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+]([C@@H](C)C(=O)N(C)C)CC[C@@H]3C2)cc1	ZINC001088061966	825751797	/nfs/dbraw/zinc/75/17/97/825751797.db2.gz	HKDZQSVBPVJBKU-IPELMVKDSA-N	1	0	353.466	1.539	20	30		FDEDRO
Cc1n[nH]nc1C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)CC[C@@H]2C1	ZINC001088062756	825757950	/nfs/dbraw/zinc/75/79/50/825757950.db2.gz	WPJSNXSIICPLAQ-ZBFHGGJFSA-N	1	0	368.416	1.718	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CCOC3(CCC3)C2)CC1	ZINC000330248717	825765310	/nfs/dbraw/zinc/76/53/10/825765310.db2.gz	ZLFHVPYVVLYVJJ-INIZCTEOSA-N	1	0	366.506	1.488	20	30		FDEDRO
C[C@@]1(CO)CCC[C@@H]1[NH2+]CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1	ZINC000330271807	825784360	/nfs/dbraw/zinc/78/43/60/825784360.db2.gz	WOICARITJWLRBM-PXNSSMCTSA-N	1	0	374.485	1.517	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccnc(OCC[NH+](C)C)c1	ZINC000280903181	825812277	/nfs/dbraw/zinc/81/22/77/825812277.db2.gz	GGQCNAYFPBRFLR-AEFFLSMTSA-N	1	0	362.474	1.802	20	30		FDEDRO
N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1	ZINC000280981196	825845297	/nfs/dbraw/zinc/84/52/97/825845297.db2.gz	ZXTVOGXHAIXHOH-FQEVSTJZSA-N	1	0	365.481	1.481	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)CN2CC[NH+](CCOC)CC2)c(OC)c1	ZINC000281102098	825886810	/nfs/dbraw/zinc/88/68/10/825886810.db2.gz	FZSRQKLRLAVACQ-SFHVURJKSA-N	1	0	364.486	1.427	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)N1CCc2cncnc2C1	ZINC000330333514	825938858	/nfs/dbraw/zinc/93/88/58/825938858.db2.gz	YJRQJBNFXUHCEJ-QZTJIDSGSA-N	1	0	359.474	1.517	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+](C)C[C@H](O)Cn2cnc3cc(C)c(C)cc32)C1=O	ZINC000281428906	825954766	/nfs/dbraw/zinc/95/47/66/825954766.db2.gz	SHGQYAOBVBQXBA-FUHWJXTLSA-N	1	0	356.470	1.733	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1=O	ZINC000281744597	826194397	/nfs/dbraw/zinc/19/43/97/826194397.db2.gz	OYIVCURUKXZXNU-LJQANCHMSA-N	1	0	370.497	1.444	20	30		FDEDRO
C[C@H]1CC[N@H+](CCNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1	ZINC000897428104	833028151	/nfs/dbraw/zinc/02/81/51/833028151.db2.gz	DDVBIVWSYYIYNW-AWEZNQCLSA-N	1	0	372.473	1.597	20	30		FDEDRO
COc1cncc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1	ZINC000281832003	826264458	/nfs/dbraw/zinc/26/44/58/826264458.db2.gz	JVZQTVHKOYZTEE-UHFFFAOYSA-N	1	0	374.466	1.714	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H]3C[N@H+]([C@H]4CCC(=O)NC4=O)CC[C@@H]3C2)CC1	ZINC001088093219	826354221	/nfs/dbraw/zinc/35/42/21/826354221.db2.gz	OMJDHOIFJCERSA-IKGGRYGDSA-N	1	0	359.470	1.318	20	30		FDEDRO
C[C@@]1(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4)CC[C@@H]3C2)CCNC1=O	ZINC001088104287	826408284	/nfs/dbraw/zinc/40/82/84/826408284.db2.gz	BVHXTSLICRKXGP-LVCYWYKZSA-N	1	0	366.465	1.365	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C)c(C(N)=O)cn3)C[C@@H]2C1	ZINC001088113970	826453108	/nfs/dbraw/zinc/45/31/08/826453108.db2.gz	NJGHROBKNQOIIT-CVEARBPZSA-N	1	0	356.470	1.849	20	30		FDEDRO
C[N@@H+]1C[C@H](C(=O)N2C[C@H]3CCN(CC#N)C[C@H]3C2)[C@@H](c2ccccc2)C1	ZINC001088115896	826464656	/nfs/dbraw/zinc/46/46/56/826464656.db2.gz	UERYMFWTLPMWFT-WCIQWLHISA-N	1	0	352.482	1.636	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCn4cccc4)C[C@@H]3C2)C1=O	ZINC001088151164	826794514	/nfs/dbraw/zinc/79/45/14/826794514.db2.gz	QTPVTNAGJJSRJM-CEXWTWQISA-N	1	0	370.497	1.445	20	30		FDEDRO
CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)CC[C@@H]3C2)nn1	ZINC001088154994	826882847	/nfs/dbraw/zinc/88/28/47/826882847.db2.gz	QECYXORJJGHCSL-MSOLQXFVSA-N	1	0	364.453	1.764	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(C[C@H]4CCOC4)nn3)C[C@@H]2C1	ZINC001088155049	826884166	/nfs/dbraw/zinc/88/41/66/826884166.db2.gz	SSZKMGJSAVAUFQ-ZACQAIPSSA-N	1	0	359.474	1.285	20	30		FDEDRO
CC(C)[C@H]([NH2+]Cc1ccc(C#N)s1)C(=O)N(C)Cc1nnc2n1CCC2	ZINC000475360970	827202196	/nfs/dbraw/zinc/20/21/96/827202196.db2.gz	LTHNBMDITGRNCG-KRWDZBQOSA-N	1	0	372.498	1.930	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H]2C[N@H+](C[C@H](CC)OC)CC[C@@H]2C1	ZINC001088175005	827223421	/nfs/dbraw/zinc/22/34/21/827223421.db2.gz	YYEZRTYXLLJMAH-SQNIBIBYSA-N	1	0	371.481	1.913	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+]([C@H]4CCN(CC)C4=O)CC[C@@H]3C2)nc1	ZINC001088174185	827255440	/nfs/dbraw/zinc/25/54/40/827255440.db2.gz	KSFCWDSSHTVABC-AOIWGVFYSA-N	1	0	366.465	1.078	20	30		FDEDRO
CCn1ncnc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000475422284	827480853	/nfs/dbraw/zinc/48/08/53/827480853.db2.gz	NPUORQJRKPHOPR-UHFFFAOYSA-N	1	0	355.446	1.443	20	30		FDEDRO
[NH2+]=C(NCCc1c[nH]c2ccc(F)cc12)N1CCN(c2ncccn2)CC1	ZINC000262490459	827540038	/nfs/dbraw/zinc/54/00/38/827540038.db2.gz	UQJHBHQDHJFMNF-UHFFFAOYSA-N	1	0	367.432	1.776	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1	ZINC001088235321	827605249	/nfs/dbraw/zinc/60/52/49/827605249.db2.gz	PBILMUIWEWVXPJ-ZJKGHYPUSA-N	1	0	372.509	1.763	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1	ZINC000121299449	827616222	/nfs/dbraw/zinc/61/62/22/827616222.db2.gz	KXBCFTMMNYBDPC-HNNXBMFYSA-N	1	0	368.437	1.862	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1=O	ZINC001168075081	827980282	/nfs/dbraw/zinc/98/02/82/827980282.db2.gz	PPXMKUDONFMAHL-IPMKNSEASA-N	1	0	355.482	1.981	20	30		FDEDRO
C=CCN1CC[C@@H](N2CCN([C@H]3CCN(CC=C)C3=O)C[C@@H]2CCC)C1=O	ZINC000282017584	828133594	/nfs/dbraw/zinc/13/35/94/828133594.db2.gz	OWHNLZPOGXYADM-GBESFXJTSA-N	1	0	374.529	1.347	20	30		FDEDRO
CS(=O)(=O)Nc1cccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)c1	ZINC000262563535	828313394	/nfs/dbraw/zinc/31/33/94/828313394.db2.gz	XCYVSQMJQITJCK-INIZCTEOSA-N	1	0	374.466	1.986	20	30		FDEDRO
O=C(NCC[NH2+]C1CCN(Cc2cccc(F)c2)CC1)C1N=CC=CC1=O	ZINC000367402467	828988166	/nfs/dbraw/zinc/98/81/66/828988166.db2.gz	KTALHXGJCZZGDP-VXPUYCOJSA-N	1	0	372.444	1.906	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@H+](C)CCN2CCCC2=O)CC1	ZINC000985695206	829029128	/nfs/dbraw/zinc/02/91/28/829029128.db2.gz	UUCRZHRYKVTDGW-HKUYNNGSSA-N	1	0	363.502	1.513	20	30		FDEDRO
N#Cc1cnc2ccccc2c1N1CC[NH+](C[C@H](O)CC2(O)CCC2)CC1	ZINC000528367163	829373173	/nfs/dbraw/zinc/37/31/73/829373173.db2.gz	QEXBQCJIFZIMPG-QGZVFWFLSA-N	1	0	366.465	1.894	20	30		FDEDRO
C[N@H+](CC1CC1)C[C@H]1CCN(CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000528392552	829380220	/nfs/dbraw/zinc/38/02/20/829380220.db2.gz	DXLPDKYUHZLXHK-GOSISDBHSA-N	1	0	365.477	1.950	20	30		FDEDRO
O=C1C[C@H]([C@H]2CCCC[N@@H+]2CC#CCN2C(=O)c3ccccc3C2=O)CN1	ZINC000528431305	829400528	/nfs/dbraw/zinc/40/05/28/829400528.db2.gz	VMZRQVNOSRTROW-MAUKXSAKSA-N	1	0	365.433	1.277	20	30		FDEDRO
CC1(C2CC[NH+](CC#CCN3C(=O)c4ccccc4C3=O)CC2)OCCO1	ZINC000528422023	829403291	/nfs/dbraw/zinc/40/32/91/829403291.db2.gz	BZVGXEHGFJDYNA-UHFFFAOYSA-N	1	0	368.433	1.761	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1	ZINC000528493427	829433093	/nfs/dbraw/zinc/43/30/93/829433093.db2.gz	VFTLMDDNSZBPMG-MOPGFXCFSA-N	1	0	359.470	1.485	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]Cc2cnnn2C)C1	ZINC001088397371	829462468	/nfs/dbraw/zinc/46/24/68/829462468.db2.gz	GORIYGAQXGKBRD-NJAFHUGGSA-N	1	0	361.490	1.657	20	30		FDEDRO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)Cc1ccc(C#N)nc1	ZINC000528648341	829500399	/nfs/dbraw/zinc/50/03/99/829500399.db2.gz	LJMXCPPXRZGCGZ-KRWDZBQOSA-N	1	0	363.465	1.823	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCO[C@H]1C(=C)C	ZINC001168109710	829525196	/nfs/dbraw/zinc/52/51/96/829525196.db2.gz	FNQOUCSFSREJQH-BZSNNMDCSA-N	1	0	365.518	1.877	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(C)(C)CC	ZINC001168110033	829533611	/nfs/dbraw/zinc/53/36/11/829533611.db2.gz	KOQSZOUTMBQJOC-JYJNAYRXSA-N	1	0	353.507	1.757	20	30		FDEDRO
C=CCN1CC[C@@H](N2CCN(c3ccccc3OCC[NH+](C)C)CC2)C1=O	ZINC000282041491	833419830	/nfs/dbraw/zinc/41/98/30/833419830.db2.gz	QZTHMQFLZSNWTL-LJQANCHMSA-N	1	0	372.513	1.536	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+][C@@H]1CCN(c2ccccc2)C1=O	ZINC001168110508	829555328	/nfs/dbraw/zinc/55/53/28/829555328.db2.gz	XPQXTFCTGULRNL-OTWHNJEPSA-N	1	0	371.481	1.869	20	30		FDEDRO
N#Cc1ccc(CC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cn1	ZINC000529171285	829748394	/nfs/dbraw/zinc/74/83/94/829748394.db2.gz	ZEKPNKREYJWZTC-HXUWFJFHSA-N	1	0	364.449	1.903	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@H]3CC[NH2+]C34CCC4)CC2)c(F)c1	ZINC000529365929	829850070	/nfs/dbraw/zinc/85/00/70/829850070.db2.gz	KPONKFJVYXUDPH-KRWDZBQOSA-N	1	0	357.433	1.814	20	30		FDEDRO
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCCNc1ccc(C#N)cn1	ZINC000729591767	829866812	/nfs/dbraw/zinc/86/68/12/829866812.db2.gz	AHRXFZOKIHURPK-UHFFFAOYSA-N	1	0	373.505	1.033	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@H](C)C4CC4)C[C@@H]3C2)CC1	ZINC000985902969	830036701	/nfs/dbraw/zinc/03/67/01/830036701.db2.gz	XDNLYTLVFOVJNI-AHRSYUTCSA-N	1	0	371.525	1.685	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000729808651	837423842	/nfs/dbraw/zinc/42/38/42/837423842.db2.gz	DTROAVZPQSJGGJ-HNNXBMFYSA-N	1	0	350.440	1.191	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1COC(=O)[C@H](CCSC)NC(=O)c1ccco1	ZINC000729808474	837424981	/nfs/dbraw/zinc/42/49/81/837424981.db2.gz	CDPANVNFFRZOCG-GJZGRUSLSA-N	1	0	364.467	1.772	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1COC(=O)CNC(=O)NCc1ccc(Cl)cc1	ZINC000729812230	837439557	/nfs/dbraw/zinc/43/95/57/837439557.db2.gz	PJBMMWVEMDMDRN-INIZCTEOSA-N	1	0	363.845	1.780	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CCc3nnn(C(C)(C)C)n3)[C@@H]2C)C1	ZINC001088844458	830470955	/nfs/dbraw/zinc/47/09/55/830470955.db2.gz	RWNPPLFHUYOCCN-CABCVRRESA-N	1	0	360.506	1.906	20	30		FDEDRO
C[C@H]1CN(CCOc2ccc(C#N)cc2)CCN1C(=O)c1cnn(C)c1	ZINC000452039153	830506598	/nfs/dbraw/zinc/50/65/98/830506598.db2.gz	DXFZXVDWMWNNSZ-HNNXBMFYSA-N	1	0	353.426	1.517	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CCCC[N@@H+]1CCO	ZINC000452392177	830643034	/nfs/dbraw/zinc/64/30/34/830643034.db2.gz	QTQBAKJDUMKVLM-MJGOQNOKSA-N	1	0	359.470	1.925	20	30		FDEDRO
N#CCN1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C1	ZINC000531358769	830707603	/nfs/dbraw/zinc/70/76/03/830707603.db2.gz	BCWOBPAQMPNUEW-MOPGFXCFSA-N	1	0	355.486	1.645	20	30		FDEDRO
C=CCn1c(-c2nnn(C)c2C)nnc1N1CC[N@H+](CCOC)[C@H](CC)C1	ZINC000453416672	830925705	/nfs/dbraw/zinc/92/57/05/830925705.db2.gz	FFKCRZHTLPHTAP-OAHLLOKOSA-N	1	0	374.493	1.115	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)ccc1C#N	ZINC000453598709	830953172	/nfs/dbraw/zinc/95/31/72/830953172.db2.gz	AVJYZEHQCWTDLS-ORAYPTAESA-N	1	0	357.458	1.827	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)ccc1C#N	ZINC000453662921	830992689	/nfs/dbraw/zinc/99/26/89/830992689.db2.gz	CKATVABDWSDSCF-MRXNPFEDSA-N	1	0	355.442	1.677	20	30		FDEDRO
CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)NCCNc2cc[nH+]cc2)s1	ZINC000453654649	831003822	/nfs/dbraw/zinc/00/38/22/831003822.db2.gz	OCORWPKCIFAAPY-UHFFFAOYSA-N	1	0	371.466	1.901	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1C#N	ZINC000453697483	831010781	/nfs/dbraw/zinc/01/07/81/831010781.db2.gz	QLHAXJSXNAAEBR-MRXNPFEDSA-N	1	0	355.442	1.391	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)c1	ZINC000453744905	831055931	/nfs/dbraw/zinc/05/59/31/831055931.db2.gz	FZARQSWQEFDVCH-UHFFFAOYSA-N	1	0	359.474	1.147	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)C4CC=CC4)C[C@H]3C2)CC1	ZINC000986245217	831354976	/nfs/dbraw/zinc/35/49/76/831354976.db2.gz	FRNLSIULGCCRHL-UXHICEINSA-N	1	0	369.509	1.605	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)CC[C@@H]2C1	ZINC000986320336	831483189	/nfs/dbraw/zinc/48/31/89/831483189.db2.gz	GSINEIIRJYGBNO-QYZOEREBSA-N	1	0	357.498	1.581	20	30		FDEDRO
C[NH+]=C(N[C@@H]1C[C@](C)(OC)C1(C)C)N1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000262338423	837544050	/nfs/dbraw/zinc/54/40/50/837544050.db2.gz	CEPAPAKSTIBIFD-KHYOSLBOSA-N	1	0	366.506	1.089	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1	ZINC000986394957	831612637	/nfs/dbraw/zinc/61/26/37/831612637.db2.gz	UEFIDPCUZZHQTF-FMKPAKJESA-N	1	0	351.410	1.414	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]3C2)cn1	ZINC000986425342	831659027	/nfs/dbraw/zinc/65/90/27/831659027.db2.gz	OLHFIKUXOJLZSM-AOIWGVFYSA-N	1	0	368.481	1.324	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1	ZINC000986426753	831662467	/nfs/dbraw/zinc/66/24/67/831662467.db2.gz	ZFEBYQLUZKPMSH-KFWWJZLASA-N	1	0	355.442	1.228	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4C[C@H]4C)C[C@@H]3C2)CC1	ZINC000986487274	831754826	/nfs/dbraw/zinc/75/48/26/831754826.db2.gz	NXDYJIDWKUNYAQ-OQIJWPOYSA-N	1	0	357.498	1.295	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCS2(=O)=O)C[C@H]1C(F)(F)F	ZINC001112208893	831982623	/nfs/dbraw/zinc/98/26/23/831982623.db2.gz	KYURCSHZUOVRPQ-IJLUTSLNSA-N	1	0	354.394	1.119	20	30		FDEDRO
CC#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC001105438973	832345181	/nfs/dbraw/zinc/34/51/81/832345181.db2.gz	UEVKDDVVJTZJMK-MNDCFMPDSA-N	1	0	367.493	1.718	20	30		FDEDRO
C#CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1	ZINC001105439104	832346003	/nfs/dbraw/zinc/34/60/03/832346003.db2.gz	ZRTJIKBXBMJPFD-PSHVLCQKSA-N	1	0	367.493	1.540	20	30		FDEDRO
Cc1cc(CC(=O)N[C@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)[C@@H]2C)[nH]n1	ZINC001088517765	832370636	/nfs/dbraw/zinc/37/06/36/832370636.db2.gz	BKTHQPPJBHYBIE-BEFAXECRSA-N	1	0	367.453	1.942	20	30		FDEDRO
C[NH+]=C(NC[C@]1(N2CCOCC2)CCSC1)N1CCc2ccccc2C1	ZINC000263107210	832408794	/nfs/dbraw/zinc/40/87/94/832408794.db2.gz	DBJUNDQTKOJSJB-HXUWFJFHSA-N	1	0	374.554	1.828	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc(=O)n(C)o2)CCN1Cc1cc(C#N)ccc1F	ZINC001088543505	832566887	/nfs/dbraw/zinc/56/68/87/832566887.db2.gz	GSBVKYSSVVODFC-ABAIWWIYSA-N	1	0	358.373	1.382	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CCN1CC#Cc1ccccc1Cl	ZINC001088548385	832608611	/nfs/dbraw/zinc/60/86/11/832608611.db2.gz	PLTALCIIROWWMR-UHOFOFEASA-N	1	0	361.829	1.379	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)C1	ZINC000987652571	833518551	/nfs/dbraw/zinc/51/85/51/833518551.db2.gz	QJQOZGXQDBFDKQ-RKVPGOIHSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001059831889	833649340	/nfs/dbraw/zinc/64/93/40/833649340.db2.gz	ZPUQBEUAQCGFAZ-OKZBNKHCSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCOCCCNC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000666514725	833844717	/nfs/dbraw/zinc/84/47/17/833844717.db2.gz	GLRXUANRXSZJFS-UHFFFAOYSA-N	1	0	361.486	1.905	20	30		FDEDRO
[NH2+]=C(NCCNC(=O)c1ccccc1F)N[C@H]1CCOc2ccccc21	ZINC000262511735	837727330	/nfs/dbraw/zinc/72/73/30/837727330.db2.gz	MGSBXMFDVTZLPL-INIZCTEOSA-N	1	0	356.401	1.984	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1	ZINC000988077472	834051173	/nfs/dbraw/zinc/05/11/73/834051173.db2.gz	OGWZNJZYTYVWCF-NXHRZFHOSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C	ZINC000988190159	834192700	/nfs/dbraw/zinc/19/27/00/834192700.db2.gz	LTSJVBJHRWAMQQ-NXHRZFHOSA-N	1	0	370.497	1.735	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H](CN(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC000988325210	834371232	/nfs/dbraw/zinc/37/12/32/834371232.db2.gz	NLQWWKADYZRPLS-HHXXYDBFSA-N	1	0	368.481	1.324	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@H]2C)nc1	ZINC000988335361	834388961	/nfs/dbraw/zinc/38/89/61/834388961.db2.gz	KESUJGRHPUUDRA-QSOKESPWSA-N	1	0	368.481	1.512	20	30		FDEDRO
C=CC[N@@H+](CCC(=O)NC(=O)NC)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000532554986	834579158	/nfs/dbraw/zinc/57/91/58/834579158.db2.gz	PGXJSJJHIRXOGV-ZDUSSCGKSA-N	1	0	357.418	1.057	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000897486316	835234145	/nfs/dbraw/zinc/23/41/45/835234145.db2.gz	NTFLFLFRWWRAJZ-CABCVRRESA-N	1	0	357.462	1.053	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H](C)C(=O)NCCc2ccccc2)CC1	ZINC000454544460	835550982	/nfs/dbraw/zinc/55/09/82/835550982.db2.gz	MLWFNGRMVATVQF-INIZCTEOSA-N	1	0	358.486	1.683	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H](C)SC)[C@@H]2C)CC1	ZINC000988505931	835656809	/nfs/dbraw/zinc/65/68/09/835656809.db2.gz	DTPMNTHZMLALGS-YCPHGPKFSA-N	1	0	351.516	1.189	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3c(C)ccn3C)[C@@H]2C)CC1	ZINC000988506120	835657169	/nfs/dbraw/zinc/65/71/69/835657169.db2.gz	JBFMSMDXAMLLOX-AEFFLSMTSA-N	1	0	370.497	1.398	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)/C=C(/C)C3CC3)[C@@H]2C)CC1	ZINC000988507896	835663663	/nfs/dbraw/zinc/66/36/63/835663663.db2.gz	XMIZOZOQVGYVBK-BRZRWLIPSA-N	1	0	357.498	1.794	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCOCCCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105668822	844097103	/nfs/dbraw/zinc/09/71/03/844097103.db2.gz	ZXFIPOCCOGWOAJ-HNBVOPMISA-N	1	0	368.518	1.582	20	30		FDEDRO
C[C@H]([NH3+])C(=O)N1[C@H](c2nc(-c3cc(F)cc(C#N)c3)no2)COC1(C)C	ZINC001211987681	835879037	/nfs/dbraw/zinc/87/90/37/835879037.db2.gz	FIIPMXGNCDETJO-ZANVPECISA-N	1	0	359.361	1.731	20	30		FDEDRO
Cc1cc(-c2noc([C@@H]3COC(C)(C)N3C(=O)[C@H](C)[NH3+])n2)ccc1C#N	ZINC001211990963	835938371	/nfs/dbraw/zinc/93/83/71/835938371.db2.gz	LEWGJZBYUQCIJD-FZMZJTMJSA-N	1	0	355.398	1.900	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1OC	ZINC001211992533	835976687	/nfs/dbraw/zinc/97/66/87/835976687.db2.gz	QVWHGTARXFTREC-KFKAGJAMSA-N	1	0	357.454	1.855	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)[NH+](C)C	ZINC000455441178	836063222	/nfs/dbraw/zinc/06/32/22/836063222.db2.gz	MHBDHWBOTVQTIE-AWEZNQCLSA-N	1	0	357.458	1.868	20	30		FDEDRO
CNC(=O)C[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000455468518	836069950	/nfs/dbraw/zinc/06/99/50/836069950.db2.gz	RBIYDCJQYJQJSJ-HNNXBMFYSA-N	1	0	357.458	1.300	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](CC2CC(OCC)C2)C[C@H]1OC	ZINC001212092569	837104625	/nfs/dbraw/zinc/10/46/25/837104625.db2.gz	HJHNTLNIRWKMBL-OPQOLIRYSA-N	1	0	354.491	1.600	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@H]1OC	ZINC001212092919	837109126	/nfs/dbraw/zinc/10/91/26/837109126.db2.gz	WUMWOLLMXCRXHC-CEXWTWQISA-N	1	0	368.518	1.726	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC001212081574	837114625	/nfs/dbraw/zinc/11/46/25/837114625.db2.gz	PBBNHVGITLVQOQ-RTBURBONSA-N	1	0	368.437	1.532	20	30		FDEDRO
C=CCN1CC[C@@H](N2CC[C@H](NC(=O)c3conc3C(C)C)[C@H]2C)C1=O	ZINC001088618988	837175452	/nfs/dbraw/zinc/17/54/52/837175452.db2.gz	SKGJQLYFWWLIQW-VNQPRFMTSA-N	1	0	360.458	1.778	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cnc3ccc(C#N)cn23)cc1	ZINC000237848585	837205690	/nfs/dbraw/zinc/20/56/90/837205690.db2.gz	SXCZUCZDXSKIKV-UHFFFAOYSA-N	1	0	369.450	1.583	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105669469	844247986	/nfs/dbraw/zinc/24/79/86/844247986.db2.gz	RUNYOCMHKUAMLE-VIPLHTEESA-N	1	0	350.503	1.648	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncccc3OC)[C@H]2C(C)C)C[C@H]1O	ZINC001105669566	844259199	/nfs/dbraw/zinc/25/91/99/844259199.db2.gz	SOPRLWPITJESFD-DCTVWTRXSA-N	1	0	371.481	1.693	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21	ZINC000272303848	838432694	/nfs/dbraw/zinc/43/26/94/838432694.db2.gz	HKHIDUUTVBBWIS-XJKSGUPXSA-N	1	0	359.401	1.329	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc3n(n2)CCO3)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088624883	838542122	/nfs/dbraw/zinc/54/21/22/838542122.db2.gz	GFNIZRPDDVRTLG-CJNGLKHVSA-N	1	0	351.410	1.540	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]2C)nc1	ZINC000989163659	838546420	/nfs/dbraw/zinc/54/64/20/838546420.db2.gz	XAMRLUWVCXVTNN-MVJTYMMSSA-N	1	0	368.481	1.512	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C)cn1	ZINC000989168334	838566485	/nfs/dbraw/zinc/56/64/85/838566485.db2.gz	SOYNUFFNJGOPKG-MNEFBYGVSA-N	1	0	368.481	1.655	20	30		FDEDRO
C#CCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)CCO2	ZINC001105473469	838704707	/nfs/dbraw/zinc/70/47/07/838704707.db2.gz	XXMLKRSZTWZBCX-MUZJZNNISA-N	1	0	356.470	1.666	20	30		FDEDRO
C[C@H]1NC(=O)N(CC[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)C1=O	ZINC000459493417	838771454	/nfs/dbraw/zinc/77/14/54/838771454.db2.gz	YCYNBRKLOJUYDR-GFCCVEGCSA-N	1	0	360.389	1.481	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCN(C)C2=O)CCN1CC#Cc1ccc(F)cc1	ZINC001088644550	838829011	/nfs/dbraw/zinc/82/90/11/838829011.db2.gz	HNCPMSDVHGFWNV-AYBZRNKSSA-N	1	0	371.456	1.625	20	30		FDEDRO
N#Cc1ccc(NC(=O)C[NH2+]C2(C(N)=O)C3CC4CC(C3)CC2C4)cc1	ZINC000459766308	838943056	/nfs/dbraw/zinc/94/30/56/838943056.db2.gz	DKAARQACKYDXER-UHFFFAOYSA-N	1	0	352.438	1.767	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC([NH+]2CCCC2)CC1	ZINC000459930722	839121841	/nfs/dbraw/zinc/12/18/41/839121841.db2.gz	HPBIUKLIAOXVKM-UHFFFAOYSA-N	1	0	354.454	1.603	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CCN1CC#Cc1ccc(Cl)cc1	ZINC001088793876	844404257	/nfs/dbraw/zinc/40/42/57/844404257.db2.gz	VMVLOMXKSKTLQT-XYPHTWIQSA-N	1	0	359.857	1.407	20	30		FDEDRO
C#CCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1CCO[C@H]1C1CC1)CCO2	ZINC001105475823	839441059	/nfs/dbraw/zinc/44/10/59/839441059.db2.gz	QJVBEKNLPLYIJM-LSNYBQGISA-N	1	0	360.498	1.955	20	30		FDEDRO
CC#CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1cncn1C)CCO2	ZINC001105481812	839771844	/nfs/dbraw/zinc/77/18/44/839771844.db2.gz	GMFWIZCHGANOMU-BKVYSMKUSA-N	1	0	370.497	1.677	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)F)[C@@H]2C(C)C)C[C@H]1O	ZINC001105585692	839999765	/nfs/dbraw/zinc/99/97/65/839999765.db2.gz	UZZATBACMWTKJW-UMHPPVOVSA-N	1	0	369.481	1.003	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2c3ccccc3CC[C@@H]2F)CC1	ZINC000897674696	840217443	/nfs/dbraw/zinc/21/74/43/840217443.db2.gz	DSWUCMLDVGXDLS-ZWKOTPCHSA-N	1	0	359.445	1.895	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)CCCC[NH+]1CCCCC1	ZINC000898044918	840685689	/nfs/dbraw/zinc/68/56/89/840685689.db2.gz	DGGCMLNJZMTPFE-MSOLQXFVSA-N	1	0	365.518	1.808	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)nn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105600076	840983548	/nfs/dbraw/zinc/98/35/48/840983548.db2.gz	AIISIRAMFLMBMQ-PHXBYCTMSA-N	1	0	358.486	1.332	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COC3CCCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105600107	840983848	/nfs/dbraw/zinc/98/38/48/840983848.db2.gz	AYMDKFDXKBOYKP-RMVXJAJNSA-N	1	0	362.514	1.935	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCC3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105600593	840998350	/nfs/dbraw/zinc/99/83/50/840998350.db2.gz	JSIUCYZDQUXUDB-LFGUQSLTSA-N	1	0	350.503	1.955	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CSCC#N)[C@@H]2C(C)C)C[C@H]1O	ZINC001105601322	841031263	/nfs/dbraw/zinc/03/12/63/841031263.db2.gz	WIRGRSBRFCHROB-AHCXZYCDSA-N	1	0	351.516	1.785	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CSCC#N)[C@@H]2C(C)C)C[C@H]1O	ZINC001105601507	841035377	/nfs/dbraw/zinc/03/53/77/841035377.db2.gz	ZMGMXUSAJXVDEH-JOCBIADPSA-N	1	0	351.516	1.785	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cocn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105603014	841159739	/nfs/dbraw/zinc/15/97/39/841159739.db2.gz	CEXBVOIIJJQFID-MYZZLAAOSA-N	1	0	363.458	1.457	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105603954	841179756	/nfs/dbraw/zinc/17/97/56/841179756.db2.gz	QTMPGTNIHFZPLQ-LBKNJMOBSA-N	1	0	360.502	1.966	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc[nH]n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105604310	841183385	/nfs/dbraw/zinc/18/33/85/841183385.db2.gz	SQSDAQSHEKASJE-VXIBKDFQSA-N	1	0	362.474	1.192	20	30		FDEDRO
CC(C)(C#N)c1ccc(C(=O)NCCCC[NH+]2CCN(CCO)CC2)cc1	ZINC000476393276	841217410	/nfs/dbraw/zinc/21/74/10/841217410.db2.gz	QOYVROPKRSQHAB-UHFFFAOYSA-N	1	0	372.513	1.608	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)n(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105607489	841229600	/nfs/dbraw/zinc/22/96/00/841229600.db2.gz	SCILESBQZFTQST-SOAMZJECSA-N	1	0	360.502	1.884	20	30		FDEDRO
C=CCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccn(C)n3)C2)[C@H]1C(C)C	ZINC001105607674	841232893	/nfs/dbraw/zinc/23/28/93/841232893.db2.gz	VNKRTPCAVVICHY-LFGUQSLTSA-N	1	0	360.502	1.852	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C)CC1	ZINC000989667893	841321233	/nfs/dbraw/zinc/32/12/33/841321233.db2.gz	REQMGFHXGRTHPO-PBHICJAKSA-N	1	0	371.485	1.726	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]2C)c1	ZINC000989804111	841474056	/nfs/dbraw/zinc/47/40/56/841474056.db2.gz	ILIXTTOVBIWAKC-HIRMHNASSA-N	1	0	368.481	1.512	20	30		FDEDRO
C=CCn1c([C@@H]2COCCO2)nnc1N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000669056874	861211151	/nfs/dbraw/zinc/21/11/51/861211151.db2.gz	WMXKXGNRCYAQNY-HOTGVXAUSA-N	1	0	365.478	1.099	20	30		FDEDRO
C=CCOCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCCOC)C2)[C@@H]1C(C)C	ZINC001105610800	841694156	/nfs/dbraw/zinc/69/41/56/841694156.db2.gz	NRFJUGVUXJRJDL-JYBIWHBTSA-N	1	0	368.518	1.582	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCC(=O)NC)[C@H]2C(C)C)C[C@H]1O	ZINC001105619576	842238701	/nfs/dbraw/zinc/23/87/01/842238701.db2.gz	NRLXIQIJJXYREI-VVWQDTPRSA-N	1	0	351.491	1.055	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3OCCCO3)[C@H]2C(C)C)C[C@H]1O	ZINC001105619612	842238852	/nfs/dbraw/zinc/23/88/52/842238852.db2.gz	OJZWKCWTHRJQQC-YKCBXCCJSA-N	1	0	366.502	1.682	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncccc3O)[C@H]2C(C)C)C[C@H]1O	ZINC001105619734	842239306	/nfs/dbraw/zinc/23/93/06/842239306.db2.gz	PZFOYSAVLUKEQT-GNUPYSACSA-N	1	0	357.454	1.390	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3(O)CCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105622662	842248473	/nfs/dbraw/zinc/24/84/73/842248473.db2.gz	FDOJCEXPTNPOJX-FPAYPSAMSA-N	1	0	350.503	1.834	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nccc(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105622848	842248892	/nfs/dbraw/zinc/24/88/92/842248892.db2.gz	JFDGFPVEQZPIPH-WOCWXWTJSA-N	1	0	356.470	1.388	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cncnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105623115	842250780	/nfs/dbraw/zinc/25/07/80/842250780.db2.gz	MQLCRHUPDIJYKS-IZBJGVDFSA-N	1	0	358.486	1.561	20	30		FDEDRO
COCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C#CC(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105627691	842260391	/nfs/dbraw/zinc/26/03/91/842260391.db2.gz	PAFYIVOAIYKAGP-JYBIWHBTSA-N	1	0	350.503	1.648	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCOCC(F)F)[C@H]2C(C)C)C[C@H]1O	ZINC001105631560	842264673	/nfs/dbraw/zinc/26/46/73/842264673.db2.gz	DSPMVWMWXFVLDG-KJWYOANISA-N	1	0	358.429	1.258	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCOCC(F)F)[C@H]2C(C)C)C[C@H]1O	ZINC001105631562	842265079	/nfs/dbraw/zinc/26/50/79/842265079.db2.gz	DSPMVWMWXFVLDG-KNCCTNLNSA-N	1	0	358.429	1.258	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3[nH]c(=O)[nH]c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105637814	842274389	/nfs/dbraw/zinc/27/43/89/842274389.db2.gz	VZWJPFOYBXLWBY-GTACMHHNSA-N	1	0	362.474	1.580	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc[nH]c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105632413	842280188	/nfs/dbraw/zinc/28/01/88/842280188.db2.gz	KZUNZLGLOBEQOP-SOAMZJECSA-N	1	0	361.486	1.797	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCC)C2)[C@@H]1C(C)C	ZINC001105632694	842280845	/nfs/dbraw/zinc/28/08/45/842280845.db2.gz	NLFZJMDTWGPGJU-IZBJGVDFSA-N	1	0	350.503	1.793	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC#CCOC)C2)[C@@H]1C(C)C	ZINC001105633288	842282687	/nfs/dbraw/zinc/28/26/87/842282687.db2.gz	RRGOWJMRSZVLFA-QCFAMHMHSA-N	1	0	362.514	1.959	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn4c(n3)CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001105633996	842282977	/nfs/dbraw/zinc/28/29/77/842282977.db2.gz	YRKYYYBQEANLIJ-QSRMWPQZSA-N	1	0	370.497	1.432	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(COCC)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105642247	842305422	/nfs/dbraw/zinc/30/54/22/842305422.db2.gz	IHLZBDAUHFGHBX-DCXXXQMHSA-N	1	0	362.514	1.793	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105642896	842321328	/nfs/dbraw/zinc/32/13/28/842321328.db2.gz	OKMOSTZNQVCUTF-MLYOOKFZSA-N	1	0	358.486	1.941	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3coc(OC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105643305	842334660	/nfs/dbraw/zinc/33/46/60/842334660.db2.gz	WPGLOGBAMCJFDO-RGPZOAQRSA-N	1	0	361.442	1.286	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(COC)CCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105643419	842335379	/nfs/dbraw/zinc/33/53/79/842335379.db2.gz	YAZPLHPSJOBBNG-DCXXXQMHSA-N	1	0	362.514	1.793	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCC(F)F)[C@@H]2C(C)C)C[C@H]1O	ZINC001105646288	842405674	/nfs/dbraw/zinc/40/56/74/842405674.db2.gz	IMOQLIATQGDQAE-DTDBQYNISA-N	1	0	358.429	1.258	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)COC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105647702	842414767	/nfs/dbraw/zinc/41/47/67/842414767.db2.gz	UADMSTFXWOVPCG-VIPLHTEESA-N	1	0	350.503	1.648	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3cn[nH]c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105655698	842479239	/nfs/dbraw/zinc/47/92/39/842479239.db2.gz	JYGSSFZXJTXPMK-JYBIWHBTSA-N	1	0	358.486	1.332	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3=CCOCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105655140	842482067	/nfs/dbraw/zinc/48/20/67/842482067.db2.gz	FSBFXDSFAGCWCE-RMVXJAJNSA-N	1	0	360.498	1.713	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CCCO)C3)[C@@H]2C(C)C)c1	ZINC001105656707	842488317	/nfs/dbraw/zinc/48/83/17/842488317.db2.gz	TUOHGPYPFWPALT-BNDYYXHWSA-N	1	0	371.481	1.025	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccn(CC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105656246	842492415	/nfs/dbraw/zinc/49/24/15/842492415.db2.gz	OJNPFIGSKJVLQC-XSYGEPLQSA-N	1	0	358.486	1.506	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1	ZINC001060037571	842503719	/nfs/dbraw/zinc/50/37/19/842503719.db2.gz	IQGHKIFEQYZJCB-KSZLIROESA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105661678	842727870	/nfs/dbraw/zinc/72/78/70/842727870.db2.gz	KVQKTCPWQCDUFZ-VYCZESIESA-N	1	0	361.490	1.361	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCn3cccc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105661914	842746460	/nfs/dbraw/zinc/74/64/60/842746460.db2.gz	LQNYOWIMEJBBKM-QCFAMHMHSA-N	1	0	357.498	1.868	20	30		FDEDRO
COc1c[nH]c(C(=O)N[C@H]2CCN(Cc3cccc(C#N)c3)[C@@H]2C)cc1=O	ZINC001088748047	842828752	/nfs/dbraw/zinc/82/87/52/842828752.db2.gz	MMCPMZZDBCESQR-CJNGLKHVSA-N	1	0	366.421	1.648	20	30		FDEDRO
O=C(Nc1cccc(C#Cc2cccs2)c1)C(=O)N[C@@H]1CCC[NH2+]C1	ZINC000667238571	843360210	/nfs/dbraw/zinc/36/02/10/843360210.db2.gz	DZFQEHUUOJDRIW-MRXNPFEDSA-N	1	0	353.447	1.955	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(C(=O)N(C)C)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667357	843617772	/nfs/dbraw/zinc/61/77/72/843617772.db2.gz	QZNWXOUNSUHGJO-NNFUDEMPSA-N	1	0	363.502	1.007	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCC(=O)NCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105667658	843651667	/nfs/dbraw/zinc/65/16/67/843651667.db2.gz	SQOJVDSEYUDVRH-YAJHFMINSA-N	1	0	365.518	1.445	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCc3ccccc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105668304	843786619	/nfs/dbraw/zinc/78/66/19/843786619.db2.gz	JAERSVBCRYMFOF-CZAYHTPWSA-N	1	0	370.493	1.803	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC(N2C[C@@H]([NH2+]Cc3cccc(C#N)n3)CC2=O)C1	ZINC000898528107	844819684	/nfs/dbraw/zinc/81/96/84/844819684.db2.gz	GHORBIQFIZPXJC-HNNXBMFYSA-N	1	0	371.441	1.263	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCC(=O)NC2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088808709	844908638	/nfs/dbraw/zinc/90/86/38/844908638.db2.gz	PTYDEIXFRJRGFA-LIVBEALHSA-N	1	0	354.454	1.554	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccc(C)nc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105672961	845257451	/nfs/dbraw/zinc/25/74/51/845257451.db2.gz	DMTZGVXZXHZGHA-UGESXGAOSA-N	1	0	369.509	1.922	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCn3ccnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105673556	845402567	/nfs/dbraw/zinc/40/25/67/845402567.db2.gz	MYHJCBIHACEGFX-IZBJGVDFSA-N	1	0	358.486	1.263	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CNC(=O)C3CCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105675966	845801428	/nfs/dbraw/zinc/80/14/28/845801428.db2.gz	SMYXGAOQAAFFCY-QQTQMKHKSA-N	1	0	363.502	1.055	20	30		FDEDRO
C[NH+](C)CCCN1C(=O)C[C@H](N2CCO[C@@H](c3ccc(C#N)cc3)C2)C1=O	ZINC000899252010	845996857	/nfs/dbraw/zinc/99/68/57/845996857.db2.gz	FYOCFXWJZNEDRH-ZWKOTPCHSA-N	1	0	370.453	1.011	20	30		FDEDRO
CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)Cn2cnc(C#N)n2)c1	ZINC000490681300	861718958	/nfs/dbraw/zinc/71/89/58/861718958.db2.gz	LARRSWWCMKXCBS-UHFFFAOYSA-N	1	0	355.402	1.069	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@@H](NC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)C2	ZINC000923947179	846833903	/nfs/dbraw/zinc/83/39/03/846833903.db2.gz	SLOCLQYOGBEUCE-PKOBYXMFSA-N	1	0	354.454	1.578	20	30		FDEDRO
CC(C)CN1CCN(C(NCCc2nnc3ccccn32)=[NH+]C2CC2)CC1	ZINC000899893116	846846144	/nfs/dbraw/zinc/84/61/44/846846144.db2.gz	LDSKMZKPULAHQW-UHFFFAOYSA-N	1	0	369.517	1.653	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(CC)cc2)C[C@@H]1O	ZINC001083535957	846924055	/nfs/dbraw/zinc/92/40/55/846924055.db2.gz	WNUUZYJRBBTXGZ-AABGKKOBSA-N	1	0	355.482	1.008	20	30		FDEDRO
Cc1n[nH]cc1C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21	ZINC001076112327	847287758	/nfs/dbraw/zinc/28/77/58/847287758.db2.gz	ANHXOVBFHBNIBJ-QFBILLFUSA-N	1	0	365.437	1.967	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](C[C@H]4CCc5ncnn54)C[C@H]32)cc1	ZINC001076119127	847313882	/nfs/dbraw/zinc/31/38/82/847313882.db2.gz	AEBSIBBFRRDHPT-IPMKNSEASA-N	1	0	361.449	1.593	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccn(C)c(=O)c4)C[C@H]32)cc1	ZINC001076117882	847339553	/nfs/dbraw/zinc/33/95/53/847339553.db2.gz	XGGACMGQQANBQZ-VQTJNVASSA-N	1	0	361.445	1.713	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3C[N@H+](CCc4ccns4)C[C@H]32)c1	ZINC001076223092	847591244	/nfs/dbraw/zinc/59/12/44/847591244.db2.gz	HWGUGDVSSATQAA-MAUKXSAKSA-N	1	0	352.463	1.908	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CC[C@H]3C[N@H+](CC[C@@H]4CCOC4)C[C@H]32)nn1	ZINC001076344844	847919353	/nfs/dbraw/zinc/91/93/53/847919353.db2.gz	BQIRHRLHDWEFRD-SOLBZPMBSA-N	1	0	359.474	1.427	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4c[nH]nc4C4CC4)[C@@H]3C2)C1=O	ZINC001076420700	848098790	/nfs/dbraw/zinc/09/87/90/848098790.db2.gz	BZXVJIJWNXLOKU-USXIJHARSA-N	1	0	369.469	1.220	20	30		FDEDRO
COc1ncc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)cn1	ZINC001076424936	848106859	/nfs/dbraw/zinc/10/68/59/848106859.db2.gz	VKLVLFNLQBLWCH-FUHWJXTLSA-N	1	0	363.421	1.703	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc5c([nH]4)CCC5)[C@@H]3C2)C1=O	ZINC001076450825	848160000	/nfs/dbraw/zinc/16/00/00/848160000.db2.gz	QBXWEBLRESOMHE-ZYSHUDEJSA-N	1	0	368.481	1.437	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(Cc4cc(C)no4)C[C@H]32)CC1	ZINC001076604663	848554457	/nfs/dbraw/zinc/55/44/57/848554457.db2.gz	PXHSZLBCQNJJAL-PKOBYXMFSA-N	1	0	356.470	1.361	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN([C@@H](C)c4nc(C)no4)C[C@H]32)CC1	ZINC001076605910	848558341	/nfs/dbraw/zinc/55/83/41/848558341.db2.gz	ZBHOTEBMRJJUJA-JCGIZDLHSA-N	1	0	371.485	1.317	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000938273466	849000485	/nfs/dbraw/zinc/00/04/85/849000485.db2.gz	LBGYQTUEYUBCAN-JQHSSLGASA-N	1	0	368.437	1.646	20	30		FDEDRO
COC(=O)c1ccc(CO[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)o1	ZINC000266634514	849168440	/nfs/dbraw/zinc/16/84/40/849168440.db2.gz	RETFECHGFBHPDB-UHFFFAOYSA-N	1	0	373.409	1.864	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1	ZINC000483152632	849337076	/nfs/dbraw/zinc/33/70/76/849337076.db2.gz	DNOIIHIJCBDLTK-FUHWJXTLSA-N	1	0	359.470	1.647	20	30		FDEDRO
N#Cc1ccccc1CN1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1	ZINC001083560070	849583013	/nfs/dbraw/zinc/58/30/13/849583013.db2.gz	PGZWFZKELVGTBO-MOPGFXCFSA-N	1	0	368.481	1.096	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccc2c[nH+]cn2c1C	ZINC001077224514	850119409	/nfs/dbraw/zinc/11/94/09/850119409.db2.gz	PUXAKAKHDRJKMQ-VHSSKADRSA-N	1	0	370.453	1.858	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)C1	ZINC000903772297	850610927	/nfs/dbraw/zinc/61/09/27/850610927.db2.gz	ZPIULBUGPONJAU-QRQLOZEOSA-N	1	0	374.529	1.228	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000668335704	850630833	/nfs/dbraw/zinc/63/08/33/850630833.db2.gz	GBTCIJVBRZNCIQ-UHFFFAOYSA-N	1	0	359.470	1.476	20	30		FDEDRO
C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1	ZINC001077395962	850814934	/nfs/dbraw/zinc/81/49/34/850814934.db2.gz	HFUUUXUGQIXDKA-ZIAGYGMSSA-N	1	0	365.231	1.018	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)C[C@@H]2O)cc1	ZINC001083577942	850894288	/nfs/dbraw/zinc/89/42/88/850894288.db2.gz	ODIMIHNYPBVDDY-MOPGFXCFSA-N	1	0	370.453	1.003	20	30		FDEDRO
COc1cc(C#N)ccc1-c1nc(CC(=O)N2CCC([NH+](C)C)CC2)no1	ZINC000904056129	850936522	/nfs/dbraw/zinc/93/65/22/850936522.db2.gz	MSKWTSOTMZGYTF-UHFFFAOYSA-N	1	0	369.425	1.712	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)CC1	ZINC000904183762	851002123	/nfs/dbraw/zinc/00/21/23/851002123.db2.gz	ZAIJGLCPRZCMFO-UHFFFAOYSA-N	1	0	369.421	1.236	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCCN2c2ccnc(C#N)n2)CC[N@@H+]1C	ZINC001060184485	851394920	/nfs/dbraw/zinc/39/49/20/851394920.db2.gz	HPGISHOQAPZMCA-HRCADAONSA-N	1	0	356.474	1.554	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCCN2c2ccc(C#N)nn2)CC[N@@H+]1C	ZINC001060185137	851510936	/nfs/dbraw/zinc/51/09/36/851510936.db2.gz	SJFNRIGBNPGHFO-IXDOHACOSA-N	1	0	356.474	1.554	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H]([NH2+]C[C@H](O)CC3(O)CCCCC3)C2=O)cc1	ZINC000905230909	851738910	/nfs/dbraw/zinc/73/89/10/851738910.db2.gz	OQXZVZVIVDJXDD-MOPGFXCFSA-N	1	0	371.481	1.695	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)CN1CCCC[C@H](OCc2ccccc2)C1=O	ZINC000913523550	862289897	/nfs/dbraw/zinc/28/98/97/862289897.db2.gz	DYKMHURRDXVYQB-IBGZPJMESA-N	1	0	371.481	1.266	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1	ZINC000905359000	851858809	/nfs/dbraw/zinc/85/88/09/851858809.db2.gz	JJNYFRNBSUGRAL-UHFFFAOYSA-N	1	0	366.462	1.149	20	30		FDEDRO
CC(C)C[C@H](C(=O)NCC#CC[NH+](C)C)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O	ZINC000913515002	862295951	/nfs/dbraw/zinc/29/59/51/862295951.db2.gz	DTMOMXAGDVCYSH-IXDOHACOSA-N	1	0	359.470	1.034	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Cc1cc2c(cc1Br)OCCO2	ZINC000913515839	862296397	/nfs/dbraw/zinc/29/63/97/862296397.db2.gz	PPFVEENIQBVENW-UHFFFAOYSA-N	1	0	367.243	1.444	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1	ZINC000913516855	862299188	/nfs/dbraw/zinc/29/91/88/862299188.db2.gz	JLRNTFXOAUGXIK-KRWDZBQOSA-N	1	0	359.445	1.288	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)cc1	ZINC000905447126	851924970	/nfs/dbraw/zinc/92/49/70/851924970.db2.gz	OPDFTXCCBUMANC-CMPLNLGQSA-N	1	0	354.275	1.446	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]CC[C@H]2CCCS2(=O)=O)cc1	ZINC000905433231	851938175	/nfs/dbraw/zinc/93/81/75/851938175.db2.gz	XBMRDPCKKDMRQO-NVXWUHKLSA-N	1	0	352.456	1.049	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)cc1	ZINC000905474599	851948373	/nfs/dbraw/zinc/94/83/73/851948373.db2.gz	PLQWWIRPXKRKGM-RBUKOAKNSA-N	1	0	358.413	1.825	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1	ZINC000913518123	862302113	/nfs/dbraw/zinc/30/21/13/862302113.db2.gz	FKGNMPRREWZPKK-UHFFFAOYSA-N	1	0	370.474	1.955	20	30		FDEDRO
CC[C@H](CN1CCOCC1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000905553137	852056679	/nfs/dbraw/zinc/05/66/79/852056679.db2.gz	QXBPVMVSJCCZRN-MRXNPFEDSA-N	1	0	351.472	1.032	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCC3(CCOCC3)O2)cc1	ZINC000905596003	852086834	/nfs/dbraw/zinc/08/68/34/852086834.db2.gz	PHSBLDBVUBBYFK-INIZCTEOSA-N	1	0	364.467	1.650	20	30		FDEDRO
Cn1cc([C@]2(C[NH2+]C[C@@H](O)COc3ccccc3C#N)CCCO2)cn1	ZINC000905685356	852176218	/nfs/dbraw/zinc/17/62/18/852176218.db2.gz	HBDXNJCFIRDKTD-IEBWSBKVSA-N	1	0	356.426	1.327	20	30		FDEDRO
N#Cc1cccc(NC(=O)C2CC[NH+](C[C@H](O)C3(O)CCCC3)CC2)c1	ZINC000905921189	852411013	/nfs/dbraw/zinc/41/10/13/852411013.db2.gz	DUASUGIBZLQTSG-SFHVURJKSA-N	1	0	357.454	1.875	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)c2ccc(C#N)cc2)C1	ZINC000026902194	852607681	/nfs/dbraw/zinc/60/76/81/852607681.db2.gz	DMVKEVFUWBFCER-QGZVFWFLSA-N	1	0	359.426	1.188	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1	ZINC000906588883	853016359	/nfs/dbraw/zinc/01/63/59/853016359.db2.gz	IANZYTYGAKIMQS-UHFFFAOYSA-N	1	0	355.398	1.525	20	30		FDEDRO
N#Cc1sccc1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000906570536	853031113	/nfs/dbraw/zinc/03/11/13/853031113.db2.gz	FQDLLNRTICZPGI-UHFFFAOYSA-N	1	0	370.482	1.742	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1=O	ZINC000906666121	853128516	/nfs/dbraw/zinc/12/85/16/853128516.db2.gz	LORCLAQTQCBFDX-OAHLLOKOSA-N	1	0	358.442	1.064	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2	ZINC000906713004	853202402	/nfs/dbraw/zinc/20/24/02/853202402.db2.gz	ZNANAZULDABSEZ-UHFFFAOYSA-N	1	0	370.434	1.699	20	30		FDEDRO
C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000486057757	853561794	/nfs/dbraw/zinc/56/17/94/853561794.db2.gz	ZNZXDXBWDDHZIO-YJBOKZPZSA-N	1	0	363.465	1.953	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1	ZINC000668582758	853619493	/nfs/dbraw/zinc/61/94/93/853619493.db2.gz	ZWUHLXARXZIJAK-KZNAEPCWSA-N	1	0	364.534	1.237	20	30		FDEDRO
C[N@H+](Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000906996638	853657428	/nfs/dbraw/zinc/65/74/28/853657428.db2.gz	UKUUELZXLBPVPH-QGZVFWFLSA-N	1	0	356.451	1.848	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1([NH+]2CCCCC2)CCOCC1	ZINC000668589779	853814940	/nfs/dbraw/zinc/81/49/40/853814940.db2.gz	VNDGQZGBVXBHPZ-QGZVFWFLSA-N	1	0	351.491	1.609	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(C#N)cn1	ZINC000907120406	853829531	/nfs/dbraw/zinc/82/95/31/853829531.db2.gz	FRAMXTBTKLWAPK-WMLDXEAASA-N	1	0	356.451	1.752	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cn2)C[C@@H]1[NH+]1CCCC1	ZINC000907135353	853846469	/nfs/dbraw/zinc/84/64/69/853846469.db2.gz	UUTNEDCFVDCUCP-UONOGXRCSA-N	1	0	352.485	1.154	20	30		FDEDRO
N#CC1(CS(=O)(=O)NC2CC[NH+](C3CCOCC3)CC2)CCCC1	ZINC000907328259	854082715	/nfs/dbraw/zinc/08/27/15/854082715.db2.gz	MQPRUQDEZPOOHV-UHFFFAOYSA-N	1	0	355.504	1.633	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)C(=O)CCCN2CC[NH+](C(C)C)CC2)C1=O	ZINC000907960831	854849329	/nfs/dbraw/zinc/84/93/29/854849329.db2.gz	WSEWYGXPBNHUSC-QGZVFWFLSA-N	1	0	350.507	1.038	20	30		FDEDRO
C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000908161165	855098890	/nfs/dbraw/zinc/09/88/90/855098890.db2.gz	DGRZLBJATJJALH-AUUYWEPGSA-N	1	0	361.417	1.522	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1	ZINC000669249120	862662511	/nfs/dbraw/zinc/66/25/11/862662511.db2.gz	GMQBWBNWQUEKQP-UHFFFAOYSA-N	1	0	365.518	1.855	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC1	ZINC000908593453	855596305	/nfs/dbraw/zinc/59/63/05/855596305.db2.gz	VZXXGMQAXDFALN-IBGZPJMESA-N	1	0	370.497	1.879	20	30		FDEDRO
C=CCn1c(-c2ncnc3[nH]cnc32)nnc1N1CCC[N@@H+](CC)CC1	ZINC000908711675	855713992	/nfs/dbraw/zinc/71/39/92/855713992.db2.gz	IEEPHDNOUVYEBC-UHFFFAOYSA-N	1	0	353.434	1.281	20	30		FDEDRO
C=CCn1c(-c2ncnc3[nH]cnc32)nnc1N1CC[N@@H+](C)C(C)(C)C1	ZINC000908714313	855718515	/nfs/dbraw/zinc/71/85/15/855718515.db2.gz	JRCQHNYXIJLACH-UHFFFAOYSA-N	1	0	353.434	1.279	20	30		FDEDRO
C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	ZINC000909282131	856390057	/nfs/dbraw/zinc/39/00/57/856390057.db2.gz	DARLKNMTGUCQEI-KDOFPFPSSA-N	1	0	356.478	1.346	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c1	ZINC000282090543	856864310	/nfs/dbraw/zinc/86/43/10/856864310.db2.gz	RWUMAZWJJQRTQF-UHFFFAOYSA-N	1	0	374.485	1.332	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[N@@H+](CC)C[C@@H]2C)cc1	ZINC000910293492	857068729	/nfs/dbraw/zinc/06/87/29/857068729.db2.gz	JFGMDBPADIJNCN-HNNXBMFYSA-N	1	0	363.483	1.154	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC001212139227	857087598	/nfs/dbraw/zinc/08/75/98/857087598.db2.gz	UUDQRENHQLOVHI-RTBURBONSA-N	1	0	368.437	1.532	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[C@H]2Cc2cnn(C)c2)CC1	ZINC000668835699	857451895	/nfs/dbraw/zinc/45/18/95/857451895.db2.gz	HPMGZSSVBJHQQN-WMZOPIPTSA-N	1	0	373.501	1.014	20	30		FDEDRO
C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000669316602	862915571	/nfs/dbraw/zinc/91/55/71/862915571.db2.gz	GAWVZLSPHVJWIP-QGZVFWFLSA-N	1	0	373.505	1.802	20	30		FDEDRO
C=C(C)Cn1c(-c2ncccn2)nnc1N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000669319557	862922930	/nfs/dbraw/zinc/92/29/30/862922930.db2.gz	AFKUOVXNDGDCHD-INIZCTEOSA-N	1	0	371.489	1.858	20	30		FDEDRO
CC1CCN(C(=O)C(=O)N(c2ccc(C#N)cn2)[C@H]2CCC[NH2+]C2)CC1	ZINC000910858869	857789132	/nfs/dbraw/zinc/78/91/32/857789132.db2.gz	VOVGZZFOBRZZTM-INIZCTEOSA-N	1	0	355.442	1.297	20	30		FDEDRO
CC(C)[N@H+](CCO)CC1CCN(C(=O)CNc2ccc(C#N)cn2)CC1	ZINC000910866225	857801931	/nfs/dbraw/zinc/80/19/31/857801931.db2.gz	IVUCEIDYXLCSDN-UHFFFAOYSA-N	1	0	359.474	1.306	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1)c1ccncc1	ZINC000911001707	858019285	/nfs/dbraw/zinc/01/92/85/858019285.db2.gz	NBZZRALPGXFCOG-MCIONIFRSA-N	1	0	370.375	1.553	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CCCC[C@@H]1C1(C[NH3+])CCC1	ZINC000911330460	858472010	/nfs/dbraw/zinc/47/20/10/858472010.db2.gz	PDNRTPWWABBDNU-OAHLLOKOSA-N	1	0	353.532	1.922	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1C#N	ZINC000911433939	858615589	/nfs/dbraw/zinc/61/55/89/858615589.db2.gz	FOJURVNECDYFCS-KBPBESRZSA-N	1	0	368.359	1.221	20	30		FDEDRO
C=CCCCCNC(=O)C(=O)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21	ZINC000911582336	858811204	/nfs/dbraw/zinc/81/12/04/858811204.db2.gz	PVVBHFKRFAJVJU-OXQOHEQNSA-N	1	0	357.454	1.831	20	30		FDEDRO
Cc1noc(C2CC2)c1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O	ZINC001083648297	859114617	/nfs/dbraw/zinc/11/46/17/859114617.db2.gz	SLSUQMXSISWWGA-SJORKVTESA-N	1	0	366.421	1.707	20	30		FDEDRO
C=CCCC[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000911973999	859196665	/nfs/dbraw/zinc/19/66/65/859196665.db2.gz	RIKXDSRSRWHSCL-MRXNPFEDSA-N	1	0	351.472	1.203	20	30		FDEDRO
C#CC[NH2+]CC(=O)N[C@H](CC(=O)OC)c1ccc(Br)cc1	ZINC000912453280	859787066	/nfs/dbraw/zinc/78/70/66/859787066.db2.gz	BXLRPIURDKSTKQ-CYBMUJFWSA-N	1	0	353.216	1.392	20	30		FDEDRO
COCC[NH+]=C(NCc1ccc(OCC(N)=O)c(OC)c1)NC(C)(C)C	ZINC000912506030	859831302	/nfs/dbraw/zinc/83/13/02/859831302.db2.gz	GBFTUZKLLBKGOP-UHFFFAOYSA-N	1	0	366.462	1.039	20	30		FDEDRO
C[C@@H](CNC(NCCCN1CCOCC1)=[NH+]C(C)(C)C)Cn1cccn1	ZINC000912505662	859831533	/nfs/dbraw/zinc/83/15/33/859831533.db2.gz	CJWNLMFIHYUZJR-KRWDZBQOSA-N	1	0	364.538	1.575	20	30		FDEDRO
CC(C)(C)[NH+]=C(NCCCCn1ccnc1)NCCCN1CCOCC1	ZINC000912506017	859831686	/nfs/dbraw/zinc/83/16/86/859831686.db2.gz	FQDZTJSQTYNUIS-UHFFFAOYSA-N	1	0	364.538	1.719	20	30		FDEDRO
Cc1nc(SCC(=O)N(C)CC[N@H+](C)CCO)c(C#N)c(C)c1C	ZINC000912610644	859955926	/nfs/dbraw/zinc/95/59/26/859955926.db2.gz	WCOUFBJYFQHWBB-UHFFFAOYSA-N	1	0	350.488	1.353	20	30		FDEDRO
C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC#Cc2ccccc2)cc1	ZINC000490166453	860902583	/nfs/dbraw/zinc/90/25/83/860902583.db2.gz	XUZCHFRCYMKESI-UHFFFAOYSA-N	1	0	365.433	1.733	20	30		FDEDRO
C=CCn1c(-c2cn(C)nn2)nnc1N1CC[N@H+](CCOC)[C@@H](CCC)C1	ZINC000669038061	860916566	/nfs/dbraw/zinc/91/65/66/860916566.db2.gz	CMPXKDMCFDTKPV-HNNXBMFYSA-N	1	0	374.493	1.197	20	30		FDEDRO
CN1c2ccccc2N(C)C1=C1C(=N)N(CC2CC[NH+](C)CC2)CC1=O	ZINC000153987433	881627186	/nfs/dbraw/zinc/62/71/86/881627186.db2.gz	DRCSSADQUNGOQI-UHFFFAOYSA-N	1	0	353.470	1.988	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)CCn2cccn2)C[C@H]1C	ZINC001105833857	863415988	/nfs/dbraw/zinc/41/59/88/863415988.db2.gz	HULHWLUOZGOSER-TZMCWYRMSA-N	1	0	355.280	1.866	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(C)n2)C[C@H]1C	ZINC001105834658	863424712	/nfs/dbraw/zinc/42/47/12/863424712.db2.gz	UPGGBHBURAQUHT-SJLPKXTDSA-N	1	0	370.497	1.888	20	30		FDEDRO
Cc1nnc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)CSCC#N)C[C@H]2C)s1	ZINC001105846431	863477561	/nfs/dbraw/zinc/47/75/61/863477561.db2.gz	VSEGEARNKOBMQZ-NQBHXWOUSA-N	1	0	353.517	1.848	20	30		FDEDRO
CCC(C)(C)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C	ZINC001105849778	863484728	/nfs/dbraw/zinc/48/47/28/863484728.db2.gz	ASZHWAZJQRNNDU-RBSFLKMASA-N	1	0	368.547	1.621	20	30		FDEDRO
CC(=O)N(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)[C@H](C)C1	ZINC001105851246	863490571	/nfs/dbraw/zinc/49/05/71/863490571.db2.gz	CQJHRWLKNJVDAJ-CXAGYDPISA-N	1	0	360.433	1.360	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)/C=C(\C)C2CC2)C[C@H]1C	ZINC001105882023	863634957	/nfs/dbraw/zinc/63/49/57/863634957.db2.gz	VHLDRROOJBAGOR-PZLHCRFSSA-N	1	0	362.474	1.039	20	30		FDEDRO
CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)NCc2ccc(CC#N)cc2)CC1	ZINC000574082043	863682080	/nfs/dbraw/zinc/68/20/80/863682080.db2.gz	NPFMTMFFCRGDBV-UHFFFAOYSA-N	1	0	370.497	1.948	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)N2CCC(C[NH+]3CCCC3)CC2)nc1	ZINC000916520136	881707092	/nfs/dbraw/zinc/70/70/92/881707092.db2.gz	BVJRXTRVQQKTOK-UHFFFAOYSA-N	1	0	356.474	1.883	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nn(CC)nc2C)[C@H](C)C1	ZINC001105909910	863917319	/nfs/dbraw/zinc/91/73/19/863917319.db2.gz	MKVLYMVLMJRDJA-HYVNUMGLSA-N	1	0	363.506	1.772	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C(C)C)[C@H](C)C1	ZINC001105912758	863943906	/nfs/dbraw/zinc/94/39/06/863943906.db2.gz	MIYHZMLGRXNRQG-OWCLPIDISA-N	1	0	364.494	1.419	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)c2nccs2)[C@H](C)C1	ZINC001105923383	864034316	/nfs/dbraw/zinc/03/43/16/864034316.db2.gz	XWLFAWZKNQKKLG-ZIAGYGMSSA-N	1	0	350.488	1.756	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CCCCC2)[C@H](C)C1	ZINC001105937991	864130391	/nfs/dbraw/zinc/13/03/91/864130391.db2.gz	KFSDFTLHPIJUST-SJLPKXTDSA-N	1	0	365.518	1.570	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COCc2ccco2)[C@H](C)C1	ZINC001105938282	864131715	/nfs/dbraw/zinc/13/17/15/864131715.db2.gz	OAFJVMPHWCNYQC-BRWVUGGUSA-N	1	0	366.458	1.044	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@@H](C)c2ccco2)[C@H](C)C1	ZINC001105942033	864157265	/nfs/dbraw/zinc/15/72/65/864157265.db2.gz	VIXJKTLDWMZPFM-OWCLPIDISA-N	1	0	363.458	1.344	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)c2ccccc2)[C@H](C)C1	ZINC001105942181	864167241	/nfs/dbraw/zinc/16/72/41/864167241.db2.gz	ANDXPJIXQGWHNR-IAGOWNOFSA-N	1	0	359.470	1.536	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccc3c(c2)CCC3)[C@H](C)C1	ZINC001105951770	864211654	/nfs/dbraw/zinc/21/16/54/864211654.db2.gz	KXCQHYGZRLCTQW-HDMKZQKVSA-N	1	0	368.481	1.958	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)/C=C\C2CC2)C[C@H]1C	ZINC001105977597	864309711	/nfs/dbraw/zinc/30/97/11/864309711.db2.gz	XTPNNSKGUGKRNR-DITYWLEZSA-N	1	0	362.474	1.037	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+][C@@H]2CCN(CC=C)C2=O)[C@H](C)C1	ZINC001105982554	864335999	/nfs/dbraw/zinc/33/59/99/864335999.db2.gz	RJPWZEFRYHPRPY-KZNAEPCWSA-N	1	0	363.502	1.440	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@@H](C)C2CC2)[C@H](C)C1	ZINC001105984242	864339945	/nfs/dbraw/zinc/33/99/45/864339945.db2.gz	BNYHECNCQYGRCT-SOLBZPMBSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CC)[C@H](C)C1	ZINC001105987729	864365142	/nfs/dbraw/zinc/36/51/42/864365142.db2.gz	OTIPTXNFTMUELQ-IAGOWNOFSA-N	1	0	353.507	1.522	20	30		FDEDRO
CCS(=O)(=O)CCC[NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC001105989245	864383208	/nfs/dbraw/zinc/38/32/08/864383208.db2.gz	UAVFUEOOMBRODA-UKRRQHHQSA-N	1	0	366.487	1.009	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nncn2C)C1	ZINC001112292793	864478319	/nfs/dbraw/zinc/47/83/19/864478319.db2.gz	LFLPXYPCPCZMAM-LPHOPBHVSA-N	1	0	361.490	1.516	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2cc[nH]c(=O)c2)C[C@H]1C	ZINC001106004935	864558059	/nfs/dbraw/zinc/55/80/59/864558059.db2.gz	AICMSRKFTRASJE-ZWNOBZJWSA-N	1	0	354.248	1.994	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106005500	864567435	/nfs/dbraw/zinc/56/74/35/864567435.db2.gz	TYSPQEMJNGDRHZ-NZSAHSFTSA-N	1	0	353.466	1.248	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1)n1cncn1	ZINC001106019369	864691722	/nfs/dbraw/zinc/69/17/22/864691722.db2.gz	ALQZTQXJWVYELS-ZHALLVOQSA-N	1	0	351.454	1.575	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1)n1cncn1	ZINC001106019370	864691766	/nfs/dbraw/zinc/69/17/66/864691766.db2.gz	ALQZTQXJWVYELS-ZIFCJYIRSA-N	1	0	351.454	1.575	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C)C(=O)NC(C)(C)C	ZINC001106021365	864727708	/nfs/dbraw/zinc/72/77/08/864727708.db2.gz	VPNRVLUZJRIECQ-MGPQQGTHSA-N	1	0	359.474	1.487	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C)C(=O)NC1CCCC1	ZINC001106028983	864875395	/nfs/dbraw/zinc/87/53/95/864875395.db2.gz	CSYPFAFKHJJQLP-IIAWOOMASA-N	1	0	371.485	1.631	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(CF)cc2)[C@H](C)C1	ZINC001106028996	864875733	/nfs/dbraw/zinc/87/57/33/864875733.db2.gz	CZVIWMCIPDSADW-CRAIPNDOSA-N	1	0	359.445	1.480	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)cc2)[C@H](C)C1	ZINC001106029540	864884641	/nfs/dbraw/zinc/88/46/41/864884641.db2.gz	XAXDTJYNCHNZPZ-NVXWUHKLSA-N	1	0	357.454	1.019	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C2CC2)[C@H](C)C1	ZINC001106034555	864912443	/nfs/dbraw/zinc/91/24/43/864912443.db2.gz	GYNNKELQEUWEES-VQIMIIECSA-N	1	0	367.493	1.888	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]CCCc2ccccc2)[C@H](C)C1	ZINC001106035635	864916244	/nfs/dbraw/zinc/91/62/44/864916244.db2.gz	WQOFVYKVJIRVQV-IEBWSBKVSA-N	1	0	355.482	1.443	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NCc2ccco2)[C@H](C)C1	ZINC001106056728	865055375	/nfs/dbraw/zinc/05/53/75/865055375.db2.gz	DFACKPSGWWYWAD-BRWVUGGUSA-N	1	0	359.470	1.772	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2c(C)nn(C)c2Cl)[C@H](C)C1	ZINC001106059454	865070022	/nfs/dbraw/zinc/07/00/22/865070022.db2.gz	VEZVAHIZXAHATN-DFHBCGBQSA-N	1	0	368.909	1.893	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccoc2Cl)C[C@H]1C	ZINC001106059517	865070713	/nfs/dbraw/zinc/07/07/13/865070713.db2.gz	XNZNUAFYQJCPHM-JHJVBQTASA-N	1	0	351.834	1.369	20	30		FDEDRO
CCOC(=O)c1cc2c(cc(C)[nH+]c2NC(=N)c2nccc(OC)n2)n1C	ZINC001168418724	865224800	/nfs/dbraw/zinc/22/48/00/865224800.db2.gz	JKARPKBIQUNLPS-UHFFFAOYSA-N	1	0	368.397	1.894	20	30		FDEDRO
COc1ccnc(C(=N)Nc2nc(C[NH3+])ccc2NC(=O)C(C)(C)C)n1	ZINC001168418705	865224932	/nfs/dbraw/zinc/22/49/32/865224932.db2.gz	IHXKDAJYWBLZCY-UHFFFAOYSA-N	1	0	357.418	1.361	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(OC)cc3)[C@@H]2C)nn1	ZINC001088907146	865371555	/nfs/dbraw/zinc/37/15/55/865371555.db2.gz	BVJLSTUWDLURAN-PBHICJAKSA-N	1	0	355.442	1.866	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)nn1	ZINC001088907217	865372437	/nfs/dbraw/zinc/37/24/37/865372437.db2.gz	FKVDPTKKXVRPKO-PBHICJAKSA-N	1	0	350.426	1.729	20	30		FDEDRO
C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1	ZINC000763395577	881888533	/nfs/dbraw/zinc/88/85/33/881888533.db2.gz	HSQUTJWBUYGIAK-FZKQIMNGSA-N	1	0	359.451	1.932	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3cccc(C)c3)C[C@@H]2O)nn1	ZINC001083849270	881914352	/nfs/dbraw/zinc/91/43/52/881914352.db2.gz	WPFYIRBCVLZYLS-SUMDDJOVSA-N	1	0	369.469	1.699	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C[C@H](O)Cc3ccccc3)[C@@H]2C)cn1	ZINC001088991368	865957502	/nfs/dbraw/zinc/95/75/02/865957502.db2.gz	WESKQAKETDSSJL-HBGVWJBISA-N	1	0	363.461	1.859	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCOC2CCCCCC2)C[C@H]1OC	ZINC001212193737	866016791	/nfs/dbraw/zinc/01/67/91/866016791.db2.gz	KATWDZQRSWKQBY-QWFCFKBJSA-N	1	0	368.518	1.868	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC(=O)N2C)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001089012342	866019607	/nfs/dbraw/zinc/01/96/07/866019607.db2.gz	RVYMIINWAKFHKP-JLSDUUJJSA-N	1	0	354.454	1.648	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3ccc(C)nc3)[C@H]2C)C1=O	ZINC001089041665	866244904	/nfs/dbraw/zinc/24/49/04/866244904.db2.gz	IYEXHYFDZOVXGC-BPQIPLTHSA-N	1	0	356.470	1.298	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3ncc(C)cn3)[C@@H]2C)CC1	ZINC001089059443	866383773	/nfs/dbraw/zinc/38/37/73/866383773.db2.gz	MMOKKDVPHRARAI-AEFFLSMTSA-N	1	0	355.486	1.209	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3nc(C)c(C)o3)[C@@H]2C)CC1	ZINC001089060032	866390981	/nfs/dbraw/zinc/39/09/81/866390981.db2.gz	OZEYMOIGNMTWPJ-QAPCUYQASA-N	1	0	358.486	1.716	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)[C@H](OC)C2)cc1	ZINC000946769547	881983902	/nfs/dbraw/zinc/98/39/02/881983902.db2.gz	AMNFIGQOFHOGKI-ATZDWAIDSA-N	1	0	369.465	1.108	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000991987075	866840942	/nfs/dbraw/zinc/84/09/42/866840942.db2.gz	IOMZXLUGTDKFFK-FJIDUMEYSA-N	1	0	363.502	1.415	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc(C(N)=O)ccn2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001089092009	866906849	/nfs/dbraw/zinc/90/68/49/866906849.db2.gz	WXUZTMWTYMFOES-DYVFJYSZSA-N	1	0	363.421	1.445	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)CC[C@@H]2C1	ZINC000946776930	882067409	/nfs/dbraw/zinc/06/74/09/882067409.db2.gz	XRZTYHOBDRICOR-XWTMOSNGSA-N	1	0	363.502	1.369	20	30		FDEDRO
Cc1cc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)ncc1C#N	ZINC000457662266	867609020	/nfs/dbraw/zinc/60/90/20/867609020.db2.gz	HYMQOLQBPXVWDE-PXNSSMCTSA-N	1	0	364.449	1.875	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)c1	ZINC000646486026	867676459	/nfs/dbraw/zinc/67/64/59/867676459.db2.gz	ZVYIJWJDCSWDBS-BBRMVZONSA-N	1	0	351.472	1.316	20	30		FDEDRO
CNC(=O)NCCC(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1	ZINC001106090504	867930951	/nfs/dbraw/zinc/93/09/51/867930951.db2.gz	RVWZEEMQACZXJC-RHSMWYFYSA-N	1	0	357.458	1.061	20	30		FDEDRO
CNC(=O)NCCC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1	ZINC001106090658	867934447	/nfs/dbraw/zinc/93/44/47/867934447.db2.gz	WREFIDGMMCTQNE-SJLPKXTDSA-N	1	0	356.470	1.041	20	30		FDEDRO
COCc1cccc(CNC(=O)CON=C(N)C[NH+]2CCCCCC2)c1	ZINC000151530295	867982145	/nfs/dbraw/zinc/98/21/45/867982145.db2.gz	KIMPDSIVSOIKMY-UHFFFAOYSA-N	1	0	362.474	1.614	20	30		FDEDRO
COc1cc(CNC(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)ccc1C#N	ZINC000462482339	868004572	/nfs/dbraw/zinc/00/45/72/868004572.db2.gz	WNMGXSADKLSZDE-OAHLLOKOSA-N	1	0	372.469	1.962	20	30		FDEDRO
C#Cc1ccc(C(=O)NC2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC000992153444	868041197	/nfs/dbraw/zinc/04/11/97/868041197.db2.gz	PHMNUJAKDPPYMY-YHDCKOJYSA-N	1	0	354.454	1.028	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1C	ZINC001106099190	868044090	/nfs/dbraw/zinc/04/40/90/868044090.db2.gz	BPNYUQZBKOJIKK-IAGOWNOFSA-N	1	0	363.502	1.176	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)Nc2nccs2)[C@H](C)C1	ZINC001106099207	868056478	/nfs/dbraw/zinc/05/64/78/868056478.db2.gz	CRJARAQCOJIDBZ-RBSFLKMASA-N	1	0	362.499	1.814	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2n[nH]cc2C)C[C@H]1C	ZINC001106101797	868105770	/nfs/dbraw/zinc/10/57/70/868105770.db2.gz	HDNVUWWJLTWYGZ-HZPDHXFCSA-N	1	0	359.474	1.216	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C)nn2)C[C@H]1C	ZINC001106101807	868107448	/nfs/dbraw/zinc/10/74/48/868107448.db2.gz	HRKVWOFTRNCPML-ZWNOBZJWSA-N	1	0	353.264	1.991	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]CCOC[C@@H]2CCCCO2)[C@H](C)C1	ZINC001106105284	868138224	/nfs/dbraw/zinc/13/82/24/868138224.db2.gz	QAJLULPCLUNUFM-QRVBRYPASA-N	1	0	350.503	1.916	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]CC(=O)NCC1CCCCC1	ZINC001106106410	868183013	/nfs/dbraw/zinc/18/30/13/868183013.db2.gz	WKMVRUUGRMKWSB-VQIMIIECSA-N	1	0	359.514	1.780	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@]3(NC(=O)[C@H]4C[C@H]4C(N)=O)CCC[C@@H]23)s1	ZINC000992183075	868198804	/nfs/dbraw/zinc/19/88/04/868198804.db2.gz	SKIRXVUHFBSWEX-BASYENTBSA-N	1	0	358.467	1.354	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@](C(=O)OC)(c2ccccc2)C1	ZINC000428804082	868303040	/nfs/dbraw/zinc/30/30/40/868303040.db2.gz	SPYCWMVNSDERTF-OXJNMPFZSA-N	1	0	357.454	1.811	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccccc2C)[C@H](C)C1	ZINC001106111949	868395265	/nfs/dbraw/zinc/39/52/65/868395265.db2.gz	TZCUQPFJUVOEJC-KZNAEPCWSA-N	1	0	371.481	1.656	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CC(=C)C)[C@H](C)C1	ZINC001106111678	868397715	/nfs/dbraw/zinc/39/77/15/868397715.db2.gz	OUIDBGHYGJWIPD-KZNAEPCWSA-N	1	0	363.502	1.133	20	30		FDEDRO
COCCO[C@H]1COCC[C@@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000463276696	868428425	/nfs/dbraw/zinc/42/84/25/868428425.db2.gz	ANINPNIIYUIOGZ-SFTDATJTSA-N	1	0	373.497	1.933	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCn3cccn3)C[C@H]2CC1	ZINC000946788653	882190601	/nfs/dbraw/zinc/19/06/01/882190601.db2.gz	XVPFUSKYSQYWBX-HCXYKTFWSA-N	1	0	358.486	1.645	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2cccc(OCC)n2)[C@H](C)C1	ZINC001106115031	868514267	/nfs/dbraw/zinc/51/42/67/868514267.db2.gz	MQJCFTZCDHKQRN-IAGOWNOFSA-N	1	0	359.470	1.704	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccc(C)cc2)[C@H](C)C1	ZINC001106115431	868523346	/nfs/dbraw/zinc/52/33/46/868523346.db2.gz	WRSBDYVLUSTBHR-QZTJIDSGSA-N	1	0	371.481	1.658	20	30		FDEDRO
C=CCCOCCCCC(=O)N1C[C@@H](C[NH2+][C@@H]2CCN(C)C2=O)[C@H](C)C1	ZINC001106124159	868908884	/nfs/dbraw/zinc/90/88/84/868908884.db2.gz	IANNRBYIUSBTCB-KZNAEPCWSA-N	1	0	365.518	1.664	20	30		FDEDRO
O=C(N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O)c1cccc2n[nH]cc21	ZINC001083688927	868990322	/nfs/dbraw/zinc/99/03/22/868990322.db2.gz	RYTOUFJWZRLIND-UXHICEINSA-N	1	0	360.417	1.390	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@]3(CNC(=O)C3)C2)c(OC)c1	ZINC000464799976	869016461	/nfs/dbraw/zinc/01/64/61/869016461.db2.gz	UJOSARFZMJEKGN-UTKZUKDTSA-N	1	0	374.481	1.766	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)Cn2cncc2C)C1	ZINC001060420624	869509050	/nfs/dbraw/zinc/50/90/50/869509050.db2.gz	UDDXWHVYNZJZBF-BBWFWOEESA-N	1	0	360.458	1.137	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)CC[N@@H+](C)CCC)C1	ZINC001060420797	869522193	/nfs/dbraw/zinc/52/21/93/869522193.db2.gz	VGXRDQYRADQVEU-KURKYZTESA-N	1	0	365.518	1.664	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CC(=O)N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000913760143	869583245	/nfs/dbraw/zinc/58/32/45/869583245.db2.gz	HGXZOBSZRGXJJV-UHFFFAOYSA-N	1	0	354.498	1.956	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CC[C@@H](c2cc(=O)[nH]c(N3CCCC3)n2)C1	ZINC000913787428	869637278	/nfs/dbraw/zinc/63/72/78/869637278.db2.gz	AVDUUZIQJMQTJC-OAHLLOKOSA-N	1	0	359.474	1.606	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(COC)cc2)C[C@@H]1O	ZINC001083853748	882351706	/nfs/dbraw/zinc/35/17/06/882351706.db2.gz	LNLWJHUTOILFLF-YRPNKDGESA-N	1	0	374.481	1.476	20	30		FDEDRO
C#CCN(C(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1)C1CC[NH+](C)CC1	ZINC000913976929	870188853	/nfs/dbraw/zinc/18/88/53/870188853.db2.gz	BESXNTFBAXEWLD-IAGOWNOFSA-N	1	0	364.534	1.613	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2C)nc1	ZINC000994383161	882444013	/nfs/dbraw/zinc/44/40/13/882444013.db2.gz	HNLDZPOCNLJOIO-SUMDDJOVSA-N	1	0	370.497	1.473	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNc2nc(Cl)c(C#N)s2)CC[N@@H+]1C	ZINC001106141277	871121080	/nfs/dbraw/zinc/12/10/80/871121080.db2.gz	AOKUOUDYWVIJQY-GARJFASQSA-N	1	0	371.894	1.287	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[C@@H]2CCCCO2)C[C@H]1C	ZINC001106143131	871301756	/nfs/dbraw/zinc/30/17/56/871301756.db2.gz	RNIZRNYDDYCYMM-ZACQAIPSSA-N	1	0	363.502	1.015	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C	ZINC001106151114	871421556	/nfs/dbraw/zinc/42/15/56/871421556.db2.gz	KLPBREZTTRZWTF-HUUCEWRRSA-N	1	0	364.494	1.032	20	30		FDEDRO
CCC(=O)N[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1	ZINC001106164411	871500184	/nfs/dbraw/zinc/50/01/84/871500184.db2.gz	LHEQLIIEJBLLNJ-RVKKMQEKSA-N	1	0	356.470	1.657	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COCCOC)[C@H](C)C1	ZINC001106175758	871580506	/nfs/dbraw/zinc/58/05/06/871580506.db2.gz	SPRVJTYJRXMGIO-BHIYHBOVSA-N	1	0	368.518	1.463	20	30		FDEDRO
CCC[C@@H](C)CCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106178115	871624860	/nfs/dbraw/zinc/62/48/60/871624860.db2.gz	OCMONYRCSIKSIU-BRWVUGGUSA-N	1	0	350.507	1.917	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000672781951	871707149	/nfs/dbraw/zinc/70/71/49/871707149.db2.gz	UFSQKSZGVJLYMO-AEFFLSMTSA-N	1	0	364.534	1.474	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@H]2C)nc1	ZINC000994391396	882548963	/nfs/dbraw/zinc/54/89/63/882548963.db2.gz	WISCKSRZGKNVBL-JFIYKMOQSA-N	1	0	368.481	1.372	20	30		FDEDRO
C[NH+](C)[C@H](C(=O)N1C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@]2(C)C1)C1CC1	ZINC000992755134	871916294	/nfs/dbraw/zinc/91/62/94/871916294.db2.gz	CEJAJCZZJFYQMR-RIFZZMRRSA-N	1	0	369.469	1.147	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2COC)[C@H](OC)C1	ZINC001212481252	871939433	/nfs/dbraw/zinc/93/94/33/871939433.db2.gz	JAJUAMSIEXJVEQ-YSVLISHTSA-N	1	0	350.463	1.350	20	30		FDEDRO
C[N@H+](CC(=O)N1C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@]2(C)C1)C1CCC1	ZINC000992813831	872500704	/nfs/dbraw/zinc/50/07/04/872500704.db2.gz	DHIFXRDDDXBTEM-QRWLVFNGSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1	ZINC001003087136	872526243	/nfs/dbraw/zinc/52/62/43/872526243.db2.gz	MRPNUUMPGADTLO-SQNIBIBYSA-N	1	0	363.502	1.273	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@]3(C)C2)C1	ZINC000992816568	872548078	/nfs/dbraw/zinc/54/80/78/872548078.db2.gz	QEEPYIROZRQKCR-NBQZKYEYSA-N	1	0	369.469	1.149	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2C)cc1	ZINC000994413236	882645679	/nfs/dbraw/zinc/64/56/79/882645679.db2.gz	SQIFADIKJXDBCY-VQIMIIECSA-N	1	0	367.493	1.977	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(C)n(C(F)F)n2)C[C@H]1C	ZINC001106185099	873158588	/nfs/dbraw/zinc/15/85/88/873158588.db2.gz	CDCJPRBVJNELRO-TZMCWYRMSA-N	1	0	354.401	1.534	20	30		FDEDRO
C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1	ZINC001003356609	873193399	/nfs/dbraw/zinc/19/33/99/873193399.db2.gz	QKJBEPFWDGXSAC-MOPGFXCFSA-N	1	0	365.518	1.413	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2=CCCC2)CC1	ZINC001003363116	873216722	/nfs/dbraw/zinc/21/67/22/873216722.db2.gz	LOEHGKYFKJXBFS-QRVBRYPASA-N	1	0	355.482	1.690	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[C@H]2C2CC2)CC1	ZINC001003365353	873243504	/nfs/dbraw/zinc/24/35/04/873243504.db2.gz	LKGXDRAXTLASNV-IVDHNXQLSA-N	1	0	369.509	1.626	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NCCCOCC)[C@H](C)C1	ZINC001106191926	873268485	/nfs/dbraw/zinc/26/84/85/873268485.db2.gz	RUUKVTDRMHMNNK-KZNAEPCWSA-N	1	0	367.534	1.958	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)Nc2ncccn2)[C@H](C)C1	ZINC001106193820	873274971	/nfs/dbraw/zinc/27/49/71/873274971.db2.gz	VQFQUFTUHATROR-BZUAXINKSA-N	1	0	359.474	1.844	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)C1	ZINC001003397492	873309770	/nfs/dbraw/zinc/30/97/70/873309770.db2.gz	SWAPTYKXGVPGPT-MKXGPGLRSA-N	1	0	357.498	1.626	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCCC2(CNc3ccncc3C#N)CC2)CC[N@@H+]1C	ZINC001090005502	873426700	/nfs/dbraw/zinc/42/67/00/873426700.db2.gz	RKYNSBWXKANMPO-FUHWJXTLSA-N	1	0	355.486	1.804	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NCC[NH+]3CCC(OC)CC3)cc2C1=O	ZINC000674324247	882738684	/nfs/dbraw/zinc/73/86/84/882738684.db2.gz	BUNSZAZANIRYSY-UHFFFAOYSA-N	1	0	371.437	1.309	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C(C)C)C2)C[C@H]1C	ZINC001106198886	873632307	/nfs/dbraw/zinc/63/23/07/873632307.db2.gz	RMRVPHJYLJHIPX-BRWVUGGUSA-N	1	0	351.491	1.130	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)[C@@H]4CC4(C)C)C[C@@]3(C)C2)CC1	ZINC000993019795	873709750	/nfs/dbraw/zinc/70/97/50/873709750.db2.gz	MYNMDBQVRQRPRA-NPPFBWRTSA-N	1	0	371.525	1.685	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2coc(Br)c2)C[C@H]1C	ZINC001106208529	873733580	/nfs/dbraw/zinc/73/35/80/873733580.db2.gz	HEMPLFPGTOZULZ-TZMCWYRMSA-N	1	0	369.259	1.990	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)C[C@H]1C	ZINC001106211298	873782570	/nfs/dbraw/zinc/78/25/70/873782570.db2.gz	ZIQWYUDMAKUADV-BZUAXINKSA-N	1	0	357.520	1.061	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(COC)CCCC2)C[C@H]1C	ZINC001106216266	873899895	/nfs/dbraw/zinc/89/98/95/873899895.db2.gz	IAUFOIFEZONCSA-IXDOHACOSA-N	1	0	365.518	1.568	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnc3[nH]c(C)nc3c2)C[C@H]1C	ZINC001106232114	874033175	/nfs/dbraw/zinc/03/31/75/874033175.db2.gz	JQJAOJRCKSOWCM-CZUORRHYSA-N	1	0	355.442	1.214	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3ncncc3C2)C[C@H]1C	ZINC001106232734	874037046	/nfs/dbraw/zinc/03/70/46/874037046.db2.gz	HXRQNXRMDRTOSA-JFIYKMOQSA-N	1	0	358.486	1.468	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3nccc(C)n3)[C@H](C)C2)CCOCC1	ZINC001106232799	874037836	/nfs/dbraw/zinc/03/78/36/874037836.db2.gz	LFZLTVHFIOYQDK-SJLPKXTDSA-N	1	0	370.497	1.789	20	30		FDEDRO
N#Cc1ccc(Br)c(C[NH2+]C[C@]2(OCCO)CCOC2)c1	ZINC000922240402	874053575	/nfs/dbraw/zinc/05/35/75/874053575.db2.gz	OSNYVVIDXJQYFK-OAHLLOKOSA-N	1	0	355.232	1.578	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(OC)nn3)[C@H](C)C2)CCC1	ZINC001106236124	874061956	/nfs/dbraw/zinc/06/19/56/874061956.db2.gz	AWSDMEFDGYWJPF-HZPDHXFCSA-N	1	0	356.470	1.863	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCn2ccnn2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001106240872	874084074	/nfs/dbraw/zinc/08/40/74/874084074.db2.gz	SHBCOJOBVGCJDN-VQIMIIECSA-N	1	0	366.469	1.814	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2nc3cccnc3s2)C[C@H]1C	ZINC001106255504	874168304	/nfs/dbraw/zinc/16/83/04/874168304.db2.gz	WHHNCJGSBBDFKN-ZIAGYGMSSA-N	1	0	358.467	1.639	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1C	ZINC001106297189	874584262	/nfs/dbraw/zinc/58/42/62/874584262.db2.gz	YIFKDPHWIBWCDB-MWLCHTKSSA-N	1	0	355.236	1.389	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCN(c3ccccc3)C2)C[C@H]1C	ZINC001106305090	874648811	/nfs/dbraw/zinc/64/88/11/874648811.db2.gz	QOPRPQPFNOHCCQ-HSALFYBXSA-N	1	0	369.509	1.847	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C2(NC(C)=O)CCCCC2)C[C@H]1C	ZINC001106334798	874807209	/nfs/dbraw/zinc/80/72/09/874807209.db2.gz	GALKYTJPBSDCTM-SJLPKXTDSA-N	1	0	365.518	1.712	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2cccc(CC)c2)C[C@H]1C	ZINC001106334075	874821459	/nfs/dbraw/zinc/82/14/59/874821459.db2.gz	WEUKPKMVPHQXHF-VQIMIIECSA-N	1	0	355.482	1.225	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cn(-c3ccccc3)nn2)C[C@H]1C	ZINC001106365642	874919812	/nfs/dbraw/zinc/91/98/12/874919812.db2.gz	VOCRHPHXJAAUFJ-IAGOWNOFSA-N	1	0	369.469	1.768	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccnc(C3CC3)c2)C[C@H]1C	ZINC001106379200	874992804	/nfs/dbraw/zinc/99/28/04/874992804.db2.gz	CUPYKRYZBLSIGY-RHSMWYFYSA-N	1	0	354.454	1.006	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)N(C)C(=O)C3)C[C@H]1C	ZINC001106382735	875013605	/nfs/dbraw/zinc/01/36/05/875013605.db2.gz	QHYSXUJNWDPEOL-CRAIPNDOSA-N	1	0	369.465	1.153	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCn2cnc3ccccc32)C[C@H]1C	ZINC001106394412	875078925	/nfs/dbraw/zinc/07/89/25/875078925.db2.gz	VTZNWRZJAQQJBQ-QZTJIDSGSA-N	1	0	368.481	1.760	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]C[C@@H](C)O)C2)cc1	ZINC001112542585	882928972	/nfs/dbraw/zinc/92/89/72/882928972.db2.gz	GZSUSBDQXPRKSP-MMOPVJDHSA-N	1	0	356.466	1.911	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1C	ZINC001106471049	875544812	/nfs/dbraw/zinc/54/48/12/875544812.db2.gz	PWPYLPUVOCRLMC-IAGOWNOFSA-N	1	0	365.522	1.626	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]Cc2cnn(CC)n2)[C@H](C)C1	ZINC001106486575	875642435	/nfs/dbraw/zinc/64/24/35/875642435.db2.gz	YFYPMWWBBUHSIQ-MDZRGWNJSA-N	1	0	363.506	1.711	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC(=O)Nc3ccccc32)C[C@H]1C	ZINC001106499338	875718307	/nfs/dbraw/zinc/71/83/07/875718307.db2.gz	FWGHPQKQWQKFBS-JFIYKMOQSA-N	1	0	369.465	1.446	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH]ncc32)C[C@H]1C	ZINC001106508568	875764896	/nfs/dbraw/zinc/76/48/96/875764896.db2.gz	QARGGDSQAOOWOR-QLFBSQMISA-N	1	0	369.469	1.551	20	30		FDEDRO
Cc1n[nH]nc1C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccc(F)cc2)[C@H](C)C1	ZINC001106511676	875789308	/nfs/dbraw/zinc/78/93/08/875789308.db2.gz	RFWYLUINSCFWCO-CZUORRHYSA-N	1	0	355.417	1.602	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@]3(C)C2)nc1	ZINC000993191777	875792786	/nfs/dbraw/zinc/79/27/86/875792786.db2.gz	OIECAIKJJYWDNX-DJPFJPOOSA-N	1	0	368.481	1.324	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000994480139	882964263	/nfs/dbraw/zinc/96/42/63/882964263.db2.gz	YBDKLCVBCFSZKA-FXUDXRNXSA-N	1	0	371.485	1.441	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COC2CCOCC2)[C@H](C)C1	ZINC001106528507	875848659	/nfs/dbraw/zinc/84/86/59/875848659.db2.gz	BITIJGLPZJLRDC-BRWVUGGUSA-N	1	0	368.518	1.439	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C2CC2)[C@H](C)C1	ZINC001106533997	875888050	/nfs/dbraw/zinc/88/80/50/875888050.db2.gz	VXEAYBRJBDCWOZ-HZPDHXFCSA-N	1	0	358.490	1.776	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106546038	875915694	/nfs/dbraw/zinc/91/56/94/875915694.db2.gz	UEKYDVMBAVPCNT-QRQLOZEOSA-N	1	0	353.466	1.343	20	30		FDEDRO
C=CCn1cc(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)nn1	ZINC000648783624	875921918	/nfs/dbraw/zinc/92/19/18/875921918.db2.gz	JXGHKRAZHIANIH-UHFFFAOYSA-N	1	0	355.442	1.351	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](C[NH2+]CCCN2C(=O)CNC2=O)[C@H](C)C1	ZINC001106563500	875962141	/nfs/dbraw/zinc/96/21/41/875962141.db2.gz	CBZQMDYYFAZTAQ-ARFHVFGLSA-N	1	0	364.490	1.215	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)[C@H](C)C1	ZINC001106567458	875976029	/nfs/dbraw/zinc/97/60/29/875976029.db2.gz	GQHZJLPGQALFQC-OWCLPIDISA-N	1	0	359.536	1.164	20	30		FDEDRO
C=CCN1CC[C@@H](N2C[C@@H](NC(=O)CC3(C)CCCC3)[C@H](OC)C2)C1=O	ZINC001212223128	882982088	/nfs/dbraw/zinc/98/20/88/882982088.db2.gz	IAQPQJMEHUBRLB-BRWVUGGUSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(c3cccnc3)CC2)C[C@H]1C	ZINC001106571003	875999907	/nfs/dbraw/zinc/99/99/07/875999907.db2.gz	JAWGHBJNQKPQJO-IXDOHACOSA-N	1	0	370.497	1.488	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3ccccc3n2C)C[C@H]1C	ZINC001106591465	876063144	/nfs/dbraw/zinc/06/31/44/876063144.db2.gz	AYCDZHYFLHUASV-NVXWUHKLSA-N	1	0	366.465	1.225	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc(F)c2F)C[C@H]1C	ZINC001106598008	876101238	/nfs/dbraw/zinc/10/12/38/876101238.db2.gz	TZVRNDGMVXCKFX-HZSPNIEDSA-N	1	0	365.424	1.953	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3[nH]ccc3c2)C[C@H]1C	ZINC001106604086	876128727	/nfs/dbraw/zinc/12/87/27/876128727.db2.gz	NATDGSJUWRFDBM-RHSMWYFYSA-N	1	0	352.438	1.215	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2cccc(C)c2)C[C@H]1C	ZINC001106607277	876150825	/nfs/dbraw/zinc/15/08/25/876150825.db2.gz	VRDVQFNSUKUKIV-ZHALLVOQSA-N	1	0	355.482	1.360	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2cccc(C)c2)C[C@H]1C	ZINC001106607278	876151452	/nfs/dbraw/zinc/15/14/52/876151452.db2.gz	VRDVQFNSUKUKIV-ZIFCJYIRSA-N	1	0	355.482	1.360	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+]CCN2CCCS2(=O)=O)[C@H](C)C1	ZINC001106609754	876181565	/nfs/dbraw/zinc/18/15/65/876181565.db2.gz	NDCQLDKZNRWCPC-HZPDHXFCSA-N	1	0	357.520	1.062	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCCc2ccccc2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106615510	876216188	/nfs/dbraw/zinc/21/61/88/876216188.db2.gz	YHEULZFOKDUQNZ-IEBWSBKVSA-N	1	0	370.497	1.723	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCOc2ccc(F)cc2)C[C@H]1C	ZINC001106615502	876216904	/nfs/dbraw/zinc/21/69/04/876216904.db2.gz	XOJHZFGJRBXTCD-IAGOWNOFSA-N	1	0	362.445	1.929	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccnc2OC)C[C@H]1C	ZINC001106620158	876223633	/nfs/dbraw/zinc/22/36/33/876223633.db2.gz	PTGBSDZXFDJVMH-RBSFLKMASA-N	1	0	360.458	1.079	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H](C[NH2+]C[C@@H]3CCS(=O)(=O)C3)[C@H](C)C2)CC1	ZINC001106633717	876285354	/nfs/dbraw/zinc/28/53/54/876285354.db2.gz	SMFYTLNEHUBLJP-IXDOHACOSA-N	1	0	368.543	1.852	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]CC(=O)NC[C@H]3CCOC3)[C@H](C)C2)C1	ZINC001106648350	876366494	/nfs/dbraw/zinc/36/64/94/876366494.db2.gz	AXHIXHXDJWLJHP-BRWVUGGUSA-N	1	0	363.502	1.180	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(=O)NC3CC3)[C@H](C)C2)C1	ZINC001106647518	876382208	/nfs/dbraw/zinc/38/22/08/876382208.db2.gz	OYJBTXQUCUSXDN-ZIAGYGMSSA-N	1	0	362.474	1.015	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N[C@H](C)CCC)[C@H](C)C2)c1	ZINC001106650402	876388391	/nfs/dbraw/zinc/38/83/91/876388391.db2.gz	MNRYSPIHHJDPAN-GPMSIDNRSA-N	1	0	370.497	1.665	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2c3n(c(=O)n2C)CCCC3)C[C@H]1C	ZINC001106667162	876483377	/nfs/dbraw/zinc/48/33/77/876483377.db2.gz	LIZWPAKYXMVUFN-TZMCWYRMSA-N	1	0	366.893	1.573	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1C	ZINC001106663654	876484897	/nfs/dbraw/zinc/48/48/97/876484897.db2.gz	PHWLRGNBYJOAMC-WCXIOVBPSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)Cn2nnc3c2CCCC3)C[C@H]1C	ZINC001106674395	876506296	/nfs/dbraw/zinc/50/62/96/876506296.db2.gz	ULLQEZPHVONGAK-TZMCWYRMSA-N	1	0	351.882	1.594	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@H]1C	ZINC001106693687	876576147	/nfs/dbraw/zinc/57/61/47/876576147.db2.gz	WTBONSPIFLAYLF-GQIGUUNPSA-N	1	0	367.493	1.223	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)CCO3)C[C@H]1C	ZINC001106690362	876583515	/nfs/dbraw/zinc/58/35/15/876583515.db2.gz	YDMVVYFOQSBKSJ-RHSMWYFYSA-N	1	0	357.454	1.221	20	30		FDEDRO
CC[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1	ZINC001106690644	876584229	/nfs/dbraw/zinc/58/42/29/876584229.db2.gz	KNJXPXPTFUEVEV-AHRSYUTCSA-N	1	0	355.482	1.637	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C[NH2+]CCNS(=O)(=O)CC)[C@H](C)C1	ZINC001106711512	876901347	/nfs/dbraw/zinc/90/13/47/876901347.db2.gz	YJUAGTGLRVRQER-HUUCEWRRSA-N	1	0	359.536	1.212	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(S(C)(=O)=O)o2)C[C@H]1C	ZINC001106718312	876941378	/nfs/dbraw/zinc/94/13/78/876941378.db2.gz	GEZYAQSEPATOMI-ZIAGYGMSSA-N	1	0	354.472	1.947	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)Cc2ccccc2)C[C@H]1C	ZINC001106717954	876942449	/nfs/dbraw/zinc/94/24/49/876942449.db2.gz	ULADITVWQFTLHT-MISYRCLQSA-N	1	0	369.509	1.689	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC001005357666	883086387	/nfs/dbraw/zinc/08/63/87/883086387.db2.gz	OCPSIYMULLVTTD-AXRYGOTBSA-N	1	0	369.469	1.478	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)c2ccccc2C)C[C@H]1C	ZINC001106727675	877006157	/nfs/dbraw/zinc/00/61/57/877006157.db2.gz	PQKMUKVFMOWLPM-GUDVDZBRSA-N	1	0	369.509	1.922	20	30		FDEDRO
CC(C)[C@@H]1C[N@H+](C)CCN1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O	ZINC000153666771	877134364	/nfs/dbraw/zinc/13/43/64/877134364.db2.gz	ZSDFGSXGSHRSKV-FXAWDEMLSA-N	1	0	369.469	1.555	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](CCO[C@@H]2CC2(F)F)CC1	ZINC001003788972	877220951	/nfs/dbraw/zinc/22/09/51/877220951.db2.gz	SPGDHUJURBMHNU-XHSDSOJGSA-N	1	0	358.429	1.972	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccsc2Cl)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106731570	877239143	/nfs/dbraw/zinc/23/91/43/877239143.db2.gz	XTSXQCLAOQYTRN-GHMZBOCLSA-N	1	0	354.863	1.339	20	30		FDEDRO
CC(C)CCCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106732850	877262754	/nfs/dbraw/zinc/26/27/54/877262754.db2.gz	AJBZDWYRUHCXJC-IAGOWNOFSA-N	1	0	350.507	1.917	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)NC)[C@H](C)C2)cc1	ZINC001106740232	877404422	/nfs/dbraw/zinc/40/44/22/877404422.db2.gz	FPBXENWEPGPKSK-HLLBOEOZSA-N	1	0	357.454	1.131	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(Cl)s2)C[C@H]1C	ZINC001106740150	877404511	/nfs/dbraw/zinc/40/45/11/877404511.db2.gz	AJCSVVXVULDYES-CHWSQXEVSA-N	1	0	367.902	1.378	20	30		FDEDRO
CC(C)c1ncsc1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106745069	877451774	/nfs/dbraw/zinc/45/17/74/877451774.db2.gz	PXSAAFISYZCZND-CHWSQXEVSA-N	1	0	363.487	1.204	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C[C@H]1C	ZINC001106748096	877479080	/nfs/dbraw/zinc/47/90/80/877479080.db2.gz	JNZXJNJEDXAYOX-MWQQHZPXSA-N	1	0	373.522	1.594	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)COC3)C[C@H]1C	ZINC001106755889	877569600	/nfs/dbraw/zinc/56/96/00/877569600.db2.gz	DWFSOSZXDRRLBO-RDTXWAMCSA-N	1	0	357.454	1.317	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106761812	877598871	/nfs/dbraw/zinc/59/88/71/877598871.db2.gz	UIVUPRMKSBIWIF-GDBMZVCRSA-N	1	0	355.417	1.304	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2cn3cccc(C)c3n2)C[C@H]1C	ZINC001106763349	877619394	/nfs/dbraw/zinc/61/93/94/877619394.db2.gz	CXPBWYQJSLXGLP-QZTJIDSGSA-N	1	0	368.481	1.519	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNc2ccc(S(N)(=O)=O)cc2C#N)CCCO1	ZINC000763047863	877671386	/nfs/dbraw/zinc/67/13/86/877671386.db2.gz	DTIWMAJDAWPGBF-CYBMUJFWSA-N	1	0	352.460	1.118	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)c2ccccc2F)C[C@H]1C	ZINC001106776606	877757923	/nfs/dbraw/zinc/75/79/23/877757923.db2.gz	WUTOBIQHNTZPQK-OWCLPIDISA-N	1	0	361.461	1.916	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C[NH2+]CC#Cc1ccc(Cl)cc1	ZINC001106779640	877770070	/nfs/dbraw/zinc/77/00/70/877770070.db2.gz	UEGHNNSXBFPJFX-UKRRQHHQSA-N	1	0	357.845	1.808	20	30		FDEDRO
C#CCN(C(=O)NCCNC(=O)CC1CCCCC1)C1CC[NH+](C)CC1	ZINC000915842682	877851129	/nfs/dbraw/zinc/85/11/29/877851129.db2.gz	ZEYGIJPWIODXGH-UHFFFAOYSA-N	1	0	362.518	1.812	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H](c2nccn2C)C2CCOCC2)CC1	ZINC000922405872	878105153	/nfs/dbraw/zinc/10/51/53/878105153.db2.gz	MMHLFOOIYKAATC-QGZVFWFLSA-N	1	0	359.474	1.285	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@]2(C)C1	ZINC000993441098	878214035	/nfs/dbraw/zinc/21/40/35/878214035.db2.gz	XQVMVQMNFIJLIB-DKICVRJWSA-N	1	0	369.469	1.291	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)cc1	ZINC000763231674	878259756	/nfs/dbraw/zinc/25/97/56/878259756.db2.gz	PCOKULULFRGQLL-QGZVFWFLSA-N	1	0	370.453	1.826	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(CCC)on2)C[C@H]1C	ZINC001106823778	878396967	/nfs/dbraw/zinc/39/69/67/878396967.db2.gz	XXEKDCJCWQIWBT-QLFBSQMISA-N	1	0	360.458	1.063	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@]2(CO)COCCN2C)cc1OCCCC#N	ZINC000922536369	878479917	/nfs/dbraw/zinc/47/99/17/878479917.db2.gz	VKVGFQZLGYZLCC-LJQANCHMSA-N	1	0	363.458	1.160	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]2OC)CC1	ZINC000946585430	878674330	/nfs/dbraw/zinc/67/43/30/878674330.db2.gz	ZCYKGUANGQFQTJ-BRWVUGGUSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]2OC)CC1	ZINC000946587356	878788884	/nfs/dbraw/zinc/78/88/84/878788884.db2.gz	GSOLGLIMLNKHBV-KBAYOESNSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCCN2CCCC2=O)C1	ZINC001033085747	878816639	/nfs/dbraw/zinc/81/66/39/878816639.db2.gz	ASDTYPZFNYHWLX-KURKYZTESA-N	1	0	363.502	1.513	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N[C@@H](C1CCOCC1)C1(CO)CCC1	ZINC000922631832	878858007	/nfs/dbraw/zinc/85/80/07/878858007.db2.gz	XJDOIUPONWLXGS-KRWDZBQOSA-N	1	0	351.491	1.199	20	30		FDEDRO
CC#CCN1CCO[C@](C)(CNC(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1	ZINC001108068978	878951728	/nfs/dbraw/zinc/95/17/28/878951728.db2.gz	WQEHQTUYAMJAML-BWAGFHJFSA-N	1	0	368.477	1.957	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnoc2C(C)C)C[C@H]1C	ZINC001106828866	879233982	/nfs/dbraw/zinc/23/39/82/879233982.db2.gz	PLRDLWAXLJRITN-RBSFLKMASA-N	1	0	360.458	1.234	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)c3ccccc3)[C@H](C)C2)CC1	ZINC000993699495	879347911	/nfs/dbraw/zinc/34/79/11/879347911.db2.gz	PYVDBJXIPYJXDF-YLJYHZDGSA-N	1	0	367.493	1.856	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)c3occc3C)[C@H](C)C2)CC1	ZINC000993753484	879416394	/nfs/dbraw/zinc/41/63/94/879416394.db2.gz	DUAJWDMDBWTMLZ-SJLPKXTDSA-N	1	0	371.481	1.758	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[N@@H+](CCCO)CC2(CCOCC2)C1	ZINC001089941078	912492141	/nfs/dbraw/zinc/49/21/41/912492141.db2.gz	DKBUPJGFKSJNBK-KURKYZTESA-N	1	0	366.502	1.337	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)C1	ZINC000993876533	879938799	/nfs/dbraw/zinc/93/87/99/879938799.db2.gz	XSXBJDRSPQJFPX-IIAWOOMASA-N	1	0	357.458	1.052	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1	ZINC000993932683	880086636	/nfs/dbraw/zinc/08/66/36/880086636.db2.gz	RJFYIFHLIIHBNN-NXHRZFHOSA-N	1	0	363.502	1.273	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC000993909950	880118485	/nfs/dbraw/zinc/11/84/85/880118485.db2.gz	KJVYSYHWJDFYPA-HZPDHXFCSA-N	1	0	371.485	1.587	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1	ZINC000993960143	880176308	/nfs/dbraw/zinc/17/63/08/880176308.db2.gz	QFKFLNPNHFATHQ-KURKYZTESA-N	1	0	363.502	1.558	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[C@H](C)C1	ZINC000994032219	880474453	/nfs/dbraw/zinc/47/44/53/880474453.db2.gz	MDEMHHNWLGOPNB-VHDGCEQUSA-N	1	0	355.910	1.928	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)C3(CF)CC3)C[C@H]2C)CC1	ZINC000994138293	880901438	/nfs/dbraw/zinc/90/14/38/880901438.db2.gz	BOQOWHSARWTRMZ-NVXWUHKLSA-N	1	0	363.477	1.292	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)CNC(=O)c2cscn2)C[C@H]1C	ZINC001106844611	880926366	/nfs/dbraw/zinc/92/63/66/880926366.db2.gz	CAZPOLAOHIZGGB-ZIAGYGMSSA-N	1	0	350.488	1.523	20	30		FDEDRO
C=C1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](CCc4ccnn4C)C[C@@H]32)CC1	ZINC001083184217	912623466	/nfs/dbraw/zinc/62/34/66/912623466.db2.gz	ZEXMXAPDTUYCRY-RBUKOAKNSA-N	1	0	358.486	1.621	20	30		FDEDRO
C=C1CCC(C(=O)N2CCO[C@@H]3C[N@H+](C[C@H]4CCc5ncnn54)C[C@@H]32)CC1	ZINC001083184225	912623534	/nfs/dbraw/zinc/62/35/34/912623534.db2.gz	ZQBWKDVIOCFJLH-FGTMMUONSA-N	1	0	371.485	1.423	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2ccc(CC)o2)C[C@H]1C	ZINC000994195596	880988777	/nfs/dbraw/zinc/98/87/77/880988777.db2.gz	ZQUQUKAHLSQRDF-NUJGCVRESA-N	1	0	371.481	1.764	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cn(C3CCOCC3)nn2)C[C@H]1C	ZINC001106847633	881035973	/nfs/dbraw/zinc/03/59/73/881035973.db2.gz	ZAUVLKAONUSSFX-TZMCWYRMSA-N	1	0	367.881	1.680	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCCC(N)=O)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106855250	881106204	/nfs/dbraw/zinc/10/62/04/881106204.db2.gz	YEKKNDHSYFKFKD-IEBWSBKVSA-N	1	0	355.482	1.768	20	30		FDEDRO
C=CC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)C2	ZINC001004716605	881111830	/nfs/dbraw/zinc/11/18/30/881111830.db2.gz	DNVXMKVIMLCTTL-XLQKEHRUSA-N	1	0	373.497	1.310	20	30		FDEDRO
CCCCn1ncc(C(=O)N2C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C2)c1C	ZINC001106855993	881118234	/nfs/dbraw/zinc/11/82/34/881118234.db2.gz	AHQSFOCLAVOZNL-SJLPKXTDSA-N	1	0	360.502	1.939	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCCCS(N)(=O)=O)C2	ZINC001111528259	881186061	/nfs/dbraw/zinc/18/60/61/881186061.db2.gz	XZNKCIYUARQYAU-HZMVEIRTSA-N	1	0	371.547	1.912	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](CC)[NH+](C)C)cn1	ZINC001004745682	881199974	/nfs/dbraw/zinc/19/99/74/881199974.db2.gz	XLBDBSJDPJBPDM-BDXSIMOUSA-N	1	0	354.454	1.265	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@H](C)C(N)=O)C2)cc1	ZINC001112542870	883185561	/nfs/dbraw/zinc/18/55/61/883185561.db2.gz	WFSPTVILFMKEGZ-KUDFPVQQSA-N	1	0	369.465	1.404	20	30		FDEDRO
CCN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC001033875160	883312015	/nfs/dbraw/zinc/31/20/15/883312015.db2.gz	PGIPVCPBAFXUIS-LSTHTHJFSA-N	1	0	370.497	1.700	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cncnc2C)[C@@H](n2ccnn2)C1	ZINC001128763402	883327072	/nfs/dbraw/zinc/32/70/72/883327072.db2.gz	DDRVRMCVJKZBHL-XYPHTWIQSA-N	1	0	355.446	1.387	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2c(C)nn(CC)c2C)C[C@H]1C	ZINC001106888560	883394261	/nfs/dbraw/zinc/39/42/61/883394261.db2.gz	RZYVKPLFRSGKTJ-CRAIPNDOSA-N	1	0	362.518	1.949	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1	ZINC001033952025	883569384	/nfs/dbraw/zinc/56/93/84/883569384.db2.gz	ODUSWZSEIOHLON-KSZLIROESA-N	1	0	363.502	1.655	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC/C=C/CC)C[C@@H]1n1ccnn1	ZINC001128786460	883574866	/nfs/dbraw/zinc/57/48/66/883574866.db2.gz	WDXRTMAVGWYXIA-BZIZVJOOSA-N	1	0	361.490	1.957	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCOC2)[C@@H](n2ccnn2)C1	ZINC001128806634	883687946	/nfs/dbraw/zinc/68/79/46/883687946.db2.gz	AKAUGKVKRMQNDQ-KSZLIROESA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001128811705	883698677	/nfs/dbraw/zinc/69/86/77/883698677.db2.gz	AOTGBCZPRWSIMV-NXHRZFHOSA-N	1	0	355.442	1.583	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001128811888	883699919	/nfs/dbraw/zinc/69/99/19/883699919.db2.gz	HSEGCTLYMFWKDQ-UHOSZYNNSA-N	1	0	369.469	1.892	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2C)C[C@@H]1n1ccnn1	ZINC001128820754	883719285	/nfs/dbraw/zinc/71/92/85/883719285.db2.gz	FLTCIHBWPJJJMB-MSOLQXFVSA-N	1	0	369.469	1.973	20	30		FDEDRO
CCc1ccccc1CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C#N)[C@@H](n2ccnn2)C1	ZINC001128830791	883757097	/nfs/dbraw/zinc/75/70/97/883757097.db2.gz	YEGRLWHUNROPRH-LZQZEXGQSA-N	1	0	366.469	1.584	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2cccc(=O)[nH]2)[C@@H](n2ccnn2)C1	ZINC001128860549	883863436	/nfs/dbraw/zinc/86/34/36/883863436.db2.gz	IAEQQCVHNWZZCZ-SJORKVTESA-N	1	0	370.457	1.780	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC001034255954	884002896	/nfs/dbraw/zinc/00/28/96/884002896.db2.gz	HKGVVEFICNAUPU-IPELMVKDSA-N	1	0	357.454	1.833	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](n2ccnn2)C1	ZINC001128903335	884019827	/nfs/dbraw/zinc/01/98/27/884019827.db2.gz	NDFGYISSVBMUJY-XKQJLSEDSA-N	1	0	353.430	1.488	20	30		FDEDRO
CC(C)(C)CCC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](n2ccnn2)C1	ZINC001128903872	884025203	/nfs/dbraw/zinc/02/52/03/884025203.db2.gz	XZXKUNCMHFQJEE-SJORKVTESA-N	1	0	369.473	1.959	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3cccc(C#N)c3)C2)O1	ZINC001034272551	884062816	/nfs/dbraw/zinc/06/28/16/884062816.db2.gz	MLIKOYLNPUESJW-NSISKUIASA-N	1	0	370.497	1.748	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@@H]1n1ccnn1	ZINC001128913538	884096710	/nfs/dbraw/zinc/09/67/10/884096710.db2.gz	JYLNFDLTIUPQSN-KURKYZTESA-N	1	0	359.474	1.382	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccnn2CC)[C@@H](n2ccnn2)C1	ZINC001128919586	884119581	/nfs/dbraw/zinc/11/95/81/884119581.db2.gz	JSZVBFZVFFEUGU-INMHGKMJSA-N	1	0	357.462	1.505	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(c2ncccc2C#N)CC1)[NH+]1CCCCC1	ZINC000918122715	884121249	/nfs/dbraw/zinc/12/12/49/884121249.db2.gz	VJHJOVOHBXLPEQ-MRXNPFEDSA-N	1	0	356.474	1.659	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC2OCCCO2)[C@@H](n2ccnn2)C1	ZINC001128934960	884154549	/nfs/dbraw/zinc/15/45/49/884154549.db2.gz	GKKKPACJORVPAC-OAGGEKHMSA-N	1	0	363.462	1.127	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H](OC)C2CC2)[C@@H](n2ccnn2)C1	ZINC001128945390	884251221	/nfs/dbraw/zinc/25/12/21/884251221.db2.gz	XJFVYJSZRQBPQP-SQNIBIBYSA-N	1	0	361.490	1.791	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(c3ncc(C#N)cc3F)C2)CC[N@@H+]1C	ZINC001061758227	884464608	/nfs/dbraw/zinc/46/46/08/884464608.db2.gz	ZSGXLPDFFNKKMX-UKPHBRMFSA-N	1	0	359.449	1.765	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@@H]1n1ccnn1	ZINC001128975963	884543583	/nfs/dbraw/zinc/54/35/83/884543583.db2.gz	BUDKFZUPBKAEAB-MSOLQXFVSA-N	1	0	359.474	1.240	20	30		FDEDRO
CO[C@H](C[N@@H+]1C[C@@H](NC(=O)C#CC(C)C)[C@@H](n2ccnn2)C1)C1CCC1	ZINC001128976308	884544282	/nfs/dbraw/zinc/54/42/82/884544282.db2.gz	OTRLDFARZHOUPD-FGTMMUONSA-N	1	0	359.474	1.094	20	30		FDEDRO
Cc1ccccc1C[N@H+]1C[C@@H](NC(=O)C#CC(C)C)[C@@H](n2ccnn2)C1	ZINC001128976409	884546777	/nfs/dbraw/zinc/54/67/77/884546777.db2.gz	UIILPJYKAKVWIP-MOPGFXCFSA-N	1	0	351.454	1.788	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncnn2CC)CC1	ZINC001034647020	884609798	/nfs/dbraw/zinc/60/97/98/884609798.db2.gz	GIBISEDUCSEUSW-VQHPVUNQSA-N	1	0	361.490	1.796	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)[C@H]3OCC[C@H]3CC)CC2)C1=O	ZINC001034667190	884640924	/nfs/dbraw/zinc/64/09/24/884640924.db2.gz	MVGBYXHRWURJCS-ZKXLYKBJSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2c(Cl)cnn2C)[C@@H](n2ccnn2)C1	ZINC001128993746	884894504	/nfs/dbraw/zinc/89/45/04/884894504.db2.gz	PMGSYUBXRCCUOS-KGLIPLIRSA-N	1	0	363.853	1.287	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](NCc2nc(N(C)C)no2)CC1	ZINC001034735148	884927505	/nfs/dbraw/zinc/92/75/05/884927505.db2.gz	CJJJPCVKVOKWDR-TUVASFSCSA-N	1	0	363.462	1.244	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000918799601	884932407	/nfs/dbraw/zinc/93/24/07/884932407.db2.gz	BXWYMSJTDJRQOG-MRXNPFEDSA-N	1	0	364.490	1.783	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)C[N@@H+](C)C(C)C)CC1	ZINC001078984673	884967093	/nfs/dbraw/zinc/96/70/93/884967093.db2.gz	SBQRWFIPGPUVIU-KURKYZTESA-N	1	0	365.518	1.757	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@@H]1n1ccnn1	ZINC001129014331	885144247	/nfs/dbraw/zinc/14/42/47/885144247.db2.gz	GEYPOKODAUTGKZ-JQHSSLGASA-N	1	0	361.490	1.549	20	30		FDEDRO
CNC(=O)[C@H]1CCC[C@H]1NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000498538453	885178347	/nfs/dbraw/zinc/17/83/47/885178347.db2.gz	DKELIWNWDIBTPQ-ZWKOTPCHSA-N	1	0	369.469	1.300	20	30		FDEDRO
N#Cc1cccc(C[NH2+]Cc2ccc(CNC(=O)[C@H]3C[C@H]3C(N)=O)cc2)c1	ZINC001034825519	885219699	/nfs/dbraw/zinc/21/96/99/885219699.db2.gz	IELXBQCTROVTIT-MOPGFXCFSA-N	1	0	362.433	1.586	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCCc3ccccc3C)C[C@@H]2O)cn1	ZINC001083968929	912915339	/nfs/dbraw/zinc/91/53/39/912915339.db2.gz	LRLXWMIALFPZDQ-RTWAWAEBSA-N	1	0	363.461	1.779	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2ccnn2C)[C@@H](n2ccnn2)C1	ZINC001129030216	885347132	/nfs/dbraw/zinc/34/71/32/885347132.db2.gz	UZEHVBPNXFZGJG-NXHRZFHOSA-N	1	0	371.489	1.341	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnn3c2CCC3)[C@@H](n2ccnn2)C1	ZINC001129042856	885513348	/nfs/dbraw/zinc/51/33/48/885513348.db2.gz	ABGIIGGHDDTLBD-KYJSFNMBSA-N	1	0	369.473	1.431	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2ncc(C)cc2OC)[C@@H](n2ccnn2)C1	ZINC001129052767	885581072	/nfs/dbraw/zinc/58/10/72/885581072.db2.gz	KVMMTVOOGRQRCO-CVEARBPZSA-N	1	0	370.457	1.612	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cnc3n2CCC3)[C@@H](n2ccnn2)C1	ZINC001129053206	885584266	/nfs/dbraw/zinc/58/42/66/885584266.db2.gz	UQHWVMHBWILBME-ZBFHGGJFSA-N	1	0	355.446	1.042	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)C/C=C\c2ccc(F)cc2)[C@@H](n2ccnn2)C1	ZINC001129065321	885667064	/nfs/dbraw/zinc/66/70/64/885667064.db2.gz	VOAOVMQHZAFGHW-LSLCWXNRSA-N	1	0	367.428	1.886	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3cncc3C2)[C@@H](n2ccnn2)C1	ZINC001129080477	885688743	/nfs/dbraw/zinc/68/87/43/885688743.db2.gz	PXGPGMPHSYQUPE-NXHRZFHOSA-N	1	0	369.473	1.045	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC23CC3)[C@@H](n2ccnn2)C1	ZINC001129072098	885695022	/nfs/dbraw/zinc/69/50/22/885695022.db2.gz	UANOXFVPPOHRRB-BBWFWOEESA-N	1	0	359.474	1.403	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)CCOCC(F)(F)F)[C@@H](n2ccnn2)C1	ZINC001129089663	885716482	/nfs/dbraw/zinc/71/64/82/885716482.db2.gz	OHIRCRAKQPGASJ-OLZOCXBDSA-N	1	0	361.368	1.165	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C(CC)CC)[C@@H](n2ccnn2)C1	ZINC001129089635	885716855	/nfs/dbraw/zinc/71/68/55/885716855.db2.gz	MHPBYHHNLLPGBM-JQHSSLGASA-N	1	0	363.506	1.895	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N(CC)C3CC3)[C@H](C)C2)nc1	ZINC001106894788	885799272	/nfs/dbraw/zinc/79/92/72/885799272.db2.gz	VSTQLYOZXQJYKZ-NVXWUHKLSA-N	1	0	368.481	1.372	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)CCOCCNc2ccc(C#N)cn2)CC[N@@H+]1C	ZINC001127500256	885815504	/nfs/dbraw/zinc/81/55/04/885815504.db2.gz	PEAYCNLKBXRYOB-DLBZAZTESA-N	1	0	359.474	1.570	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2coc(OC)n2)[C@@H](n2ccnn2)C1	ZINC001129133706	885831153	/nfs/dbraw/zinc/83/11/53/885831153.db2.gz	HPKOYLMXTBBLAI-NFAWXSAZSA-N	1	0	360.418	1.285	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)CC(C)(C)C1	ZINC001089517953	885928617	/nfs/dbraw/zinc/92/86/17/885928617.db2.gz	WXEFHEMWWRNVDE-VYDXJSESSA-N	1	0	351.491	1.320	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)NCC=C)[C@H](C)C2)cn1	ZINC001106896622	886107322	/nfs/dbraw/zinc/10/73/22/886107322.db2.gz	ODDDLYQBHQLIHJ-HLLBOEOZSA-N	1	0	354.454	1.051	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1n1ccnn1	ZINC001129188981	886117668	/nfs/dbraw/zinc/11/76/68/886117668.db2.gz	FTVIVXMLALXLNX-JQHSSLGASA-N	1	0	371.489	1.198	20	30		FDEDRO
C[C@H](Nc1ccnc(C#N)n1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001061889395	886220630	/nfs/dbraw/zinc/22/06/30/886220630.db2.gz	DJFNOGNHRAAQBM-SQWLQELKSA-N	1	0	356.474	1.149	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cccnc2C)[C@@H](n2ccnn2)C1	ZINC001129205635	886420279	/nfs/dbraw/zinc/42/02/79/886420279.db2.gz	ZFNQIZPETMTUJE-OLMNPRSZSA-N	1	0	354.458	1.992	20	30		FDEDRO
C=CCN1C[C@@H](NC(=O)CCCc2ccc(OC)cc2)[C@@H](n2ccnn2)C1	ZINC001129219873	886600525	/nfs/dbraw/zinc/60/05/25/886600525.db2.gz	LOXNMMXLTBAXTL-MOPGFXCFSA-N	1	0	369.469	1.837	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H](CNC(=O)CC[NH+](C)C)CC1	ZINC001060741314	886672556	/nfs/dbraw/zinc/67/25/56/886672556.db2.gz	QTJAKDFNIUQMFT-DWRORGKVSA-N	1	0	365.518	1.711	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2n[nH]cc2F)[C@@H](n2ccnn2)C1	ZINC001129233511	886716978	/nfs/dbraw/zinc/71/69/78/886716978.db2.gz	SERODQHBIIUVPT-CABCVRRESA-N	1	0	363.441	1.766	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cc2C)[C@@H](n2ccnn2)C1	ZINC001129248696	886819744	/nfs/dbraw/zinc/81/97/44/886819744.db2.gz	NQWWSZJICBJOQU-UAGQMJEPSA-N	1	0	370.457	1.697	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cc2C)[C@@H](n2ccnn2)C1	ZINC001129248621	886820711	/nfs/dbraw/zinc/82/07/11/886820711.db2.gz	LIZUCWGVZIODBP-CVEARBPZSA-N	1	0	356.430	1.309	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1	ZINC000920419556	886920861	/nfs/dbraw/zinc/92/08/61/886920861.db2.gz	ISDDCSVPNXBSMJ-KGLIPLIRSA-N	1	0	368.478	1.623	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2ccccc2F)[C@@H](n2ccnn2)C1	ZINC001129261480	886950602	/nfs/dbraw/zinc/95/06/02/886950602.db2.gz	DGKZQZIWIVTJKS-IPELMVKDSA-N	1	0	369.444	1.661	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)Cc2ccnc(OC)c2)[C@@H](n2ccnn2)C1	ZINC001129262154	886957953	/nfs/dbraw/zinc/95/79/53/886957953.db2.gz	OAWOQWRFCSQCOM-SJORKVTESA-N	1	0	370.457	1.232	20	30		FDEDRO
CCOC1CC(CC(=O)N[C@@H]2CN(Cc3cccc(C#N)c3)C[C@H]2O)C1	ZINC001077554396	887028726	/nfs/dbraw/zinc/02/87/26/887028726.db2.gz	NJDHHSFNNZEOGH-CSODTCANSA-N	1	0	357.454	1.425	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C=C)[C@@H](n2ccnn2)C1	ZINC001129266682	887053175	/nfs/dbraw/zinc/05/31/75/887053175.db2.gz	ONJCYWKEORMYIQ-YRXWBPOGSA-N	1	0	373.501	1.957	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCc1cc(C#N)ccc1F)C2	ZINC000920675493	887158157	/nfs/dbraw/zinc/15/81/57/887158157.db2.gz	SRXIXKMHWCEORL-MLYOOKFZSA-N	1	0	374.460	1.976	20	30		FDEDRO
Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1	ZINC000329130439	887214142	/nfs/dbraw/zinc/21/41/42/887214142.db2.gz	OJWIFEPPNXNHCJ-HOCLYGCPSA-N	1	0	373.461	1.739	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1C[C@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O	ZINC000922954762	887579107	/nfs/dbraw/zinc/57/91/07/887579107.db2.gz	IUVIXZNXIKPRCN-UNXYRHIYSA-N	1	0	365.518	1.747	20	30		FDEDRO
C=C(Cl)C[C@@H]1NC(=O)N(C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1=O	ZINC000925345110	913162112	/nfs/dbraw/zinc/16/21/12/913162112.db2.gz	WJXPZZVSDSOZFM-RRFJBIMHSA-N	1	0	355.866	1.817	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)COC)C[C@H]2OC)cc1	ZINC001212255229	887859660	/nfs/dbraw/zinc/85/96/60/887859660.db2.gz	HMBVKXIAXZOXCL-KFKAGJAMSA-N	1	0	360.454	1.553	20	30		FDEDRO
CC[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)C1	ZINC000921407398	887902719	/nfs/dbraw/zinc/90/27/19/887902719.db2.gz	ZYVQEXSHBHHQMU-USXIJHARSA-N	1	0	356.474	1.879	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)cc1C#N	ZINC000921479924	888052273	/nfs/dbraw/zinc/05/22/73/888052273.db2.gz	VVBLTTZVWUYSJY-KRWDZBQOSA-N	1	0	359.455	1.628	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCc2ccccc2NC1=O)C1CC[NH+](C)CC1	ZINC000923114119	888064700	/nfs/dbraw/zinc/06/47/00/888064700.db2.gz	GWEFYZAVTBCFEA-GOSISDBHSA-N	1	0	354.454	1.679	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](C[C@H](O)Cc3ccc(F)cc3)C[C@@H]2O)C1	ZINC001083763288	888194305	/nfs/dbraw/zinc/19/43/05/888194305.db2.gz	CMWQLFABEINLQW-KURKYZTESA-N	1	0	362.445	1.247	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[NH+]3CCC2CC3)C1	ZINC001005959316	888260166	/nfs/dbraw/zinc/26/01/66/888260166.db2.gz	MFADKQFBAOTYCR-TVFCKZIOSA-N	1	0	357.498	1.933	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC4(CC4)C2)C3)CC1	ZINC001005987518	888433953	/nfs/dbraw/zinc/43/39/53/888433953.db2.gz	YIRJQKIJWOCWRI-QRVBRYPASA-N	1	0	369.509	1.770	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](N(C)C(=O)Cn2ccnc2)C1	ZINC000938587752	888831353	/nfs/dbraw/zinc/83/13/53/888831353.db2.gz	ZIBMIPUIUWNWEU-RYRKJORJSA-N	1	0	360.458	1.314	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)CN2CCCO[C@@H](C[NH3+])C2)c(OC)c1	ZINC000923377639	889049372	/nfs/dbraw/zinc/04/93/72/889049372.db2.gz	ADSHYWNRYLVXSN-IRXDYDNUSA-N	1	0	350.459	1.213	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cnn(CCOC)c2C)[C@H](OC)C1	ZINC001212277132	889146954	/nfs/dbraw/zinc/14/69/54/889146954.db2.gz	CXHDNPVQCLWMOW-IAGOWNOFSA-N	1	0	350.463	1.233	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CN([C@@H]3CCc4ccc(F)cc43)C[C@@H]2O)c1	ZINC001083765844	889189527	/nfs/dbraw/zinc/18/95/27/889189527.db2.gz	XWGWTKRFSJFXSY-AQNXPRMDSA-N	1	0	365.408	1.664	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(C)C)C1	ZINC001112543484	889281909	/nfs/dbraw/zinc/28/19/09/889281909.db2.gz	CXEAEGXOKHGSNV-DUPRYPCISA-N	1	0	363.502	1.274	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC[NH+](CCc2ccnn2C)CC1	ZINC001006123937	889576953	/nfs/dbraw/zinc/57/69/53/889576953.db2.gz	OUVCKLMQRHVADH-OALUTQOASA-N	1	0	360.502	1.867	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NCc1cccs1	ZINC001127612991	889931108	/nfs/dbraw/zinc/93/11/08/889931108.db2.gz	JPEZRFWMHOFAKS-IMJJTQAJSA-N	1	0	365.499	1.440	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1cc(F)cc(F)c1	ZINC001127613305	889946958	/nfs/dbraw/zinc/94/69/58/889946958.db2.gz	ZBHBVRGCNFDMSV-CVEARBPZSA-N	1	0	367.396	1.590	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)C1	ZINC000923580971	889962282	/nfs/dbraw/zinc/96/22/82/889962282.db2.gz	FRGDXZDXMQEXQU-OALUTQOASA-N	1	0	353.466	1.434	20	30		FDEDRO
N#Cc1cccc(-c2c[nH]c(CNc3cc(-n4cccn4)nc(N)[nH+]3)n2)c1	ZINC000367595391	889972169	/nfs/dbraw/zinc/97/21/69/889972169.db2.gz	WRZNGQGAZDONCS-UHFFFAOYSA-N	1	0	357.381	2.118	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)C1	ZINC000923584723	890011796	/nfs/dbraw/zinc/01/17/96/890011796.db2.gz	WVADRCNEKQIZCO-RDJZCZTQSA-N	1	0	359.495	1.495	20	30		FDEDRO
COCC#CCN1C[C@@H](NC(=O)c2cc(C)cc(F)c2)[C@@H](n2ccnn2)C1	ZINC001129283959	890029537	/nfs/dbraw/zinc/02/95/37/890029537.db2.gz	FDBZVWFMYNPRNC-MSOLQXFVSA-N	1	0	371.416	1.031	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2nccc2C)[C@@H](n2ccnn2)C1	ZINC001129284806	890038317	/nfs/dbraw/zinc/03/83/17/890038317.db2.gz	YLKBEDULPQLNNA-UAGQMJEPSA-N	1	0	357.462	1.179	20	30		FDEDRO
CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000249486978	890366951	/nfs/dbraw/zinc/36/69/51/890366951.db2.gz	YMPGFYQJGCCTMP-OTWHNJEPSA-N	1	0	364.534	1.862	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CCCCN(c3ncc(C#N)cc3F)C2)CC[N@@H+]1C	ZINC001063240793	890375641	/nfs/dbraw/zinc/37/56/41/890375641.db2.gz	FYEREAQMQWYONX-VNQPRFMTSA-N	1	0	359.449	1.908	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H](CCNc3cnc(C#N)cn3)C2)CC[N@@H+]1C	ZINC001063301981	890427836	/nfs/dbraw/zinc/42/78/36/890427836.db2.gz	KAWYSBPLNXTBKA-BFYDXBDKSA-N	1	0	356.474	1.729	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC2(NC(=O)C[C@@H]3C[C@H]3C3CC3)CCC2)CC1	ZINC001063341028	890466089	/nfs/dbraw/zinc/46/60/89/890466089.db2.gz	FTYZWOKTKRKTRP-OALUTQOASA-N	1	0	371.525	1.923	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCc2ccc(CNc3cnc(C#N)cn3)cc2)CC[N@@H+]1C	ZINC001063424875	890536329	/nfs/dbraw/zinc/53/63/29/890536329.db2.gz	NGEVJRDANZQNNL-RDTXWAMCSA-N	1	0	364.453	1.917	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](CCn2cc(Cl)cn2)CC1	ZINC001001851034	891450219	/nfs/dbraw/zinc/45/02/19/891450219.db2.gz	JWQFRHLDRPNUHB-SJORKVTESA-N	1	0	366.893	1.956	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C#N)c[nH]1)C2	ZINC001001891197	891571703	/nfs/dbraw/zinc/57/17/03/891571703.db2.gz	UENZRVUMFWTVFP-LMSBXDPUSA-N	1	0	369.469	1.621	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CN(C(C)C)CCO3)C[C@H]2C)C1	ZINC000939965613	891580215	/nfs/dbraw/zinc/58/02/15/891580215.db2.gz	HIMODLIIBBJJPM-ZACQAIPSSA-N	1	0	363.502	1.415	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C)c1	ZINC000940011721	891630549	/nfs/dbraw/zinc/63/05/49/891630549.db2.gz	BNGACLFBJXVHTO-VQIMIIECSA-N	1	0	368.481	1.516	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@H]2C)c1	ZINC000940012710	891635114	/nfs/dbraw/zinc/63/51/14/891635114.db2.gz	SHVBIAYGMDOPFL-ATZDWAIDSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1	ZINC001001933249	891685116	/nfs/dbraw/zinc/68/51/16/891685116.db2.gz	BKCPHYLIOBSXJR-JLSDUUJJSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1	ZINC001002150398	891994363	/nfs/dbraw/zinc/99/43/63/891994363.db2.gz	MFKVLSUMBZUVKL-AYBZRNKSSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1cccc(-n2cc(C[NH2+]CC)nn2)c1	ZINC001089972958	892143817	/nfs/dbraw/zinc/14/38/17/892143817.db2.gz	JHILYBMKZXHFIG-MSOLQXFVSA-N	1	0	355.442	1.584	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(Br)o2)C[C@H]1C	ZINC001106917334	892262801	/nfs/dbraw/zinc/26/28/01/892262801.db2.gz	DSWGZOBHTQPAFN-CHWSQXEVSA-N	1	0	369.259	1.990	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001002260547	892351598	/nfs/dbraw/zinc/35/15/98/892351598.db2.gz	QTVAHOPBUAVBBB-VQTJNVASSA-N	1	0	367.493	1.515	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cc1	ZINC001002258030	892392657	/nfs/dbraw/zinc/39/26/57/892392657.db2.gz	KKARDRFLPVGVPQ-RBUKOAKNSA-N	1	0	353.466	1.586	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)[C@H](C)C1	ZINC001106922799	892597273	/nfs/dbraw/zinc/59/72/73/892597273.db2.gz	MWNUQNBCXNPFQV-JTDSTZFVSA-N	1	0	355.482	1.371	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC001002406394	892851953	/nfs/dbraw/zinc/85/19/53/892851953.db2.gz	RILFIODOYHVQLZ-OKZBNKHCSA-N	1	0	371.485	1.680	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CCC(C3CC3)CC2)C[C@H]1C	ZINC001106935453	893138606	/nfs/dbraw/zinc/13/86/06/893138606.db2.gz	QPSBMVDEIIYAEE-JYPHPWERSA-N	1	0	359.514	1.636	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(F)cc2F)C[C@H]1C	ZINC001106940441	893149094	/nfs/dbraw/zinc/14/90/94/893149094.db2.gz	QLQGCVBFSNKFFU-HZSPNIEDSA-N	1	0	363.408	1.400	20	30		FDEDRO
C[C@@H](CNC(=O)Nc1nc(Cl)c(C#N)s1)C[NH+]1CCN(C)CC1	ZINC000888412880	893166203	/nfs/dbraw/zinc/16/62/03/893166203.db2.gz	XWFSWGXJWHEJBJ-JTQLQIEISA-N	1	0	356.883	1.673	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C)c(C)c2)C[C@H]1C	ZINC001106944315	893534126	/nfs/dbraw/zinc/53/41/26/893534126.db2.gz	AZZUWAYMRGDIIF-ZHALLVOQSA-N	1	0	355.482	1.739	20	30		FDEDRO
N#Cc1cc(CN2CC[C@@H]3CN(C(=O)[C@H]4CCC(=O)N4)[C@@H]3C2)ccc1F	ZINC001084234230	913791721	/nfs/dbraw/zinc/79/17/21/913791721.db2.gz	CTCHQFFXRRUAMD-KBRIMQKVSA-N	1	0	356.401	1.009	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C(C)(C)C1	ZINC000941027812	893693867	/nfs/dbraw/zinc/69/38/67/893693867.db2.gz	IGNVFGCRLLRIJA-BBWFWOEESA-N	1	0	363.502	1.559	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cnc4n3CCOC4)C2=O)cc1	ZINC000921979450	893719884	/nfs/dbraw/zinc/71/98/84/893719884.db2.gz	FEHWVVFRGWDAST-QGZVFWFLSA-N	1	0	351.410	1.570	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CCCN2C(=O)[C@]23C[C@H]2CCC3)CC1	ZINC001002797334	893967638	/nfs/dbraw/zinc/96/76/38/893967638.db2.gz	ZVDAOUDSLHQFLI-XQBPLPMBSA-N	1	0	371.525	1.971	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C(F)(F)F)nc1	ZINC000922022898	894400985	/nfs/dbraw/zinc/40/09/85/894400985.db2.gz	DCTDCFMDMHHKGG-UHFFFAOYSA-N	1	0	361.389	1.819	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c[nH]c2nccc(Cl)c12	ZINC000922023927	894433115	/nfs/dbraw/zinc/43/31/15/894433115.db2.gz	MVZGPYMNSVVJGN-UHFFFAOYSA-N	1	0	366.874	1.934	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(NC(N)=O)c2)C[C@H]1C	ZINC001106967157	896553108	/nfs/dbraw/zinc/55/31/08/896553108.db2.gz	SWBJQBKLNIOYOF-GDBMZVCRSA-N	1	0	358.442	1.125	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2OCCO[C@H]2C)CC2(CCOCC2)C1	ZINC001089944860	896573302	/nfs/dbraw/zinc/57/33/02/896573302.db2.gz	HWCIQZKTUBGADC-ULQDDVLXSA-N	1	0	352.475	1.354	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CO[C@@H]4CCOC4)[C@@H]3C2)cc1	ZINC001084340034	914092373	/nfs/dbraw/zinc/09/23/73/914092373.db2.gz	RAMJIQICXDTABA-GUDVDZBRSA-N	1	0	355.438	1.396	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1	ZINC001067524820	896781187	/nfs/dbraw/zinc/78/11/87/896781187.db2.gz	QEPYMGCNLPLJKG-AOIWGVFYSA-N	1	0	365.518	1.616	20	30		FDEDRO
CCOC(=O)c1cnn(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1C#N	ZINC000273467130	896827986	/nfs/dbraw/zinc/82/79/86/896827986.db2.gz	JJTVLYVJQXZRGB-QGZVFWFLSA-N	1	0	369.425	1.351	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cn3c(cccc3C)n2)C[C@H]1C	ZINC001106969078	896871485	/nfs/dbraw/zinc/87/14/85/896871485.db2.gz	JBLXINIVXXLHOI-GDBMZVCRSA-N	1	0	369.469	1.243	20	30		FDEDRO
C=CC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1	ZINC001128112256	897167189	/nfs/dbraw/zinc/16/71/89/897167189.db2.gz	IYRHIUVZGZKCMK-UQZKUAJDSA-N	1	0	368.481	1.476	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCCC2=CCN(c3nccnc3C#N)CC2)CC[N@@H+]1C	ZINC001089866934	897202822	/nfs/dbraw/zinc/20/28/22/897202822.db2.gz	VORIGAVSPWNIGZ-FUHWJXTLSA-N	1	0	368.485	1.721	20	30		FDEDRO
C=CC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)n1	ZINC001128113432	897207411	/nfs/dbraw/zinc/20/74/11/897207411.db2.gz	WGBOOCSOWJHTBY-NSHGMRRFSA-N	1	0	370.497	1.867	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2ccccc2F)C[C@H]1C	ZINC001106972906	897240151	/nfs/dbraw/zinc/24/01/51/897240151.db2.gz	QYLSFERXQSUKIJ-NVXWUHKLSA-N	1	0	359.445	1.192	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)COc2ccccc2OC)C[C@H]1C	ZINC001106974910	897267171	/nfs/dbraw/zinc/26/71/71/897267171.db2.gz	AUXFSIDYVMCXCT-IAGOWNOFSA-N	1	0	360.454	1.408	20	30		FDEDRO
CN1CC[NH+](CCC(C)(C)NC(=O)C#Cc2ccc3c(c2)OCO3)CC1	ZINC000184168800	897312576	/nfs/dbraw/zinc/31/25/76/897312576.db2.gz	SZDXDKZYWCVWFT-UHFFFAOYSA-N	1	0	357.454	1.299	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3c(C)cc(C)cc3C)C[C@H]2O)cn1	ZINC001078023824	897619987	/nfs/dbraw/zinc/61/99/87/897619987.db2.gz	ONDORHNNXDFIRU-NHCUHLMSSA-N	1	0	363.461	1.963	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1O	ZINC001078027984	897656205	/nfs/dbraw/zinc/65/62/05/897656205.db2.gz	SLUPCUYLJXKIOL-RTBURBONSA-N	1	0	365.433	1.111	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(Cl)cn2CC)C[C@H]1C	ZINC001106988992	897768973	/nfs/dbraw/zinc/76/89/73/897768973.db2.gz	AIBINFRTJWWVCJ-ZIAGYGMSSA-N	1	0	366.893	1.761	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCCC2=CCN(c3cncc(C#N)n3)CC2)CC[N@@H+]1C	ZINC001089870322	897833232	/nfs/dbraw/zinc/83/32/32/897833232.db2.gz	OZBBNOXHXHQBQT-RHSMWYFYSA-N	1	0	354.458	1.331	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)COc2ccccc2)C[C@H]1C	ZINC001106991051	897925020	/nfs/dbraw/zinc/92/50/20/897925020.db2.gz	MFAFSBQMJBPTTM-FGTMMUONSA-N	1	0	371.481	1.135	20	30		FDEDRO
C[N@@H+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2N(C(=O)c2ccc(C#N)[nH]2)CC3)C1	ZINC000995299997	898144648	/nfs/dbraw/zinc/14/46/48/898144648.db2.gz	DTHHIEUTKBEKJW-JNAXZKDPSA-N	1	0	369.469	1.339	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CCN3CCCC3=O)C[C@H]21	ZINC001084372195	914236907	/nfs/dbraw/zinc/23/69/07/914236907.db2.gz	KLCHLQYECHMVKI-HUUCEWRRSA-N	1	0	353.894	1.920	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N[C@@H]2C[N@H+](C[C@@H](CC)OC)C[C@H]2O)cc1	ZINC001078243274	898504455	/nfs/dbraw/zinc/50/44/55/898504455.db2.gz	CFZWWXUXWJOMNH-BHIYHBOVSA-N	1	0	362.470	1.380	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1N(C(=O)C#CC1CC1)CC2	ZINC000995336370	898572688	/nfs/dbraw/zinc/57/26/88/898572688.db2.gz	BFSVNURDRUBNSL-WAOWUJCRSA-N	1	0	357.498	1.772	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cnc(C)cn2)C1	ZINC001078474089	898809706	/nfs/dbraw/zinc/80/97/06/898809706.db2.gz	SYJWMIFCBROUBJ-KURKYZTESA-N	1	0	360.458	1.083	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cc(C)no2)C1	ZINC001078486295	898843641	/nfs/dbraw/zinc/84/36/41/898843641.db2.gz	UGWUOUMJPVNHAQ-BZSNNMDCSA-N	1	0	363.458	1.671	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC001078538331	898909716	/nfs/dbraw/zinc/90/97/16/898909716.db2.gz	RPJHLJYTVWJWNQ-VIQHNZTISA-N	1	0	351.491	1.319	20	30		FDEDRO
C#Cc1cncc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C3)c1	ZINC001001707387	899229584	/nfs/dbraw/zinc/22/95/84/899229584.db2.gz	VKDAYUYVFGCPLP-ZJPYXAASSA-N	1	0	352.438	1.019	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CCN(C(=O)CC[NH+](C)C)CC2	ZINC001061021321	899248011	/nfs/dbraw/zinc/24/80/11/899248011.db2.gz	ZUNUMEAUOQSBOP-WMZOPIPTSA-N	1	0	363.502	1.370	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C	ZINC001107017400	899555091	/nfs/dbraw/zinc/55/50/91/899555091.db2.gz	USNVTZMEGIOEGT-WSTZPKSXSA-N	1	0	365.477	1.250	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1	ZINC000944071831	899818380	/nfs/dbraw/zinc/81/83/80/899818380.db2.gz	CHWTVFQKBJWDCK-KURKYZTESA-N	1	0	363.502	1.561	20	30		FDEDRO
CCOCCOCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1	ZINC001107044547	900087860	/nfs/dbraw/zinc/08/78/60/900087860.db2.gz	GNFFAUXPQHLWPT-VQIMIIECSA-N	1	0	359.470	1.795	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(CC#C)CCCCC2)C[C@H]1C	ZINC001107057002	900238327	/nfs/dbraw/zinc/23/83/27/900238327.db2.gz	HJTZEZDJKRFCJA-QZTJIDSGSA-N	1	0	357.498	1.394	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NCCC(C)C)[C@H](C)C1	ZINC001107062978	900392525	/nfs/dbraw/zinc/39/25/25/900392525.db2.gz	YAQSJIAWBRXAQN-KZNAEPCWSA-N	1	0	367.534	1.814	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CCNC(=O)NC(C)(C)C)[C@H](C)C1	ZINC001107063560	900449508	/nfs/dbraw/zinc/44/95/08/900449508.db2.gz	SCTIVQJVSMVIHQ-HZPDHXFCSA-N	1	0	368.522	1.361	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCCC2)[C@H](C)C1	ZINC001107063697	900450734	/nfs/dbraw/zinc/45/07/34/900450734.db2.gz	XSKQLLKREUZYHN-BZUAXINKSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2cscn2)C[C@H]1C	ZINC001107068113	900473298	/nfs/dbraw/zinc/47/32/98/900473298.db2.gz	QGXZWASYTKZQGC-RBSFLKMASA-N	1	0	364.515	1.451	20	30		FDEDRO
C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1O	ZINC001077582313	900711131	/nfs/dbraw/zinc/71/11/31/900711131.db2.gz	FSACMTDPBSGRGH-QZTJIDSGSA-N	1	0	368.437	1.188	20	30		FDEDRO
C[C@@H]1CN(C(=O)COC[C@H]2CCCO2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001107089895	900801401	/nfs/dbraw/zinc/80/14/01/900801401.db2.gz	CFRITJOQBGOBLE-NSISKUIASA-N	1	0	371.481	1.938	20	30		FDEDRO
CC(C)C[C@H](C(N)=O)C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1	ZINC001107094670	900830414	/nfs/dbraw/zinc/83/04/14/900830414.db2.gz	KSMYKEBBTURXFN-ATZDWAIDSA-N	1	0	370.497	1.890	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]CCN3CCNC3=O)[C@H](C)C2)CCCC1	ZINC001107099253	900981567	/nfs/dbraw/zinc/98/15/67/900981567.db2.gz	AAPZIDCEJPBFFQ-IAGOWNOFSA-N	1	0	362.518	1.832	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)CC[N@@H+](C)CC)CC1	ZINC001079080846	901028535	/nfs/dbraw/zinc/02/85/35/901028535.db2.gz	UTPZODAMIWEBGL-KURKYZTESA-N	1	0	365.518	1.759	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H](C)CC(C)(C)C)[C@@H](n2ccnn2)C1	ZINC001129307434	901048717	/nfs/dbraw/zinc/04/87/17/901048717.db2.gz	ATQAFNXDTHZJLO-ZACQAIPSSA-N	1	0	363.506	1.895	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCCN(c2ccc(C#N)nn2)C3)CC[N@@H+]1C	ZINC001064570374	901387981	/nfs/dbraw/zinc/38/79/81/901387981.db2.gz	IIBCENCHZLYCTN-MDYRTPRTSA-N	1	0	368.485	1.507	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@]3(CCN(c4ccnc(C#N)n4)C3)C2)CC[N@@H+]1C	ZINC001064650072	901519650	/nfs/dbraw/zinc/51/96/50/901519650.db2.gz	NWWTXNLSUVDFFZ-CLCXKQKWSA-N	1	0	354.458	1.117	20	30		FDEDRO
N#Cc1nccc(N2C[C@@H]3CCN(C(=O)CCCC[NH+]4CCCC4)[C@@H]3C2)n1	ZINC001090326709	901707870	/nfs/dbraw/zinc/70/78/70/901707870.db2.gz	WRBMZDINCYHMTR-DLBZAZTESA-N	1	0	368.485	1.651	20	30		FDEDRO
N#Cc1cc(CN2C[C@@H](NC(=O)[C@H]3CC34CCCC4)[C@@H](O)C2)ccc1F	ZINC001083921834	901719891	/nfs/dbraw/zinc/71/98/91/901719891.db2.gz	WVKZVVMRGZSWOX-NXHRZFHOSA-N	1	0	357.429	1.939	20	30		FDEDRO
Cc1cc(C#N)nc(N2CCC(C)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1	ZINC001065115127	901856748	/nfs/dbraw/zinc/85/67/48/901856748.db2.gz	FJLOGEGWDDEGGO-GDBMZVCRSA-N	1	0	356.474	1.472	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2n[nH]cc2F)C1	ZINC001079142493	901948846	/nfs/dbraw/zinc/94/88/46/901948846.db2.gz	DWQAXGSPJFDXMA-IAGOWNOFSA-N	1	0	356.401	1.260	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2c[nH]c(=O)cn2)C1	ZINC001079142793	901952123	/nfs/dbraw/zinc/95/21/23/901952123.db2.gz	VEJZWPIEBBEEFK-QZTJIDSGSA-N	1	0	368.437	1.034	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnnn2C)C1	ZINC001079134623	901997445	/nfs/dbraw/zinc/99/74/45/901997445.db2.gz	IXMIARVAUAEZJN-QZTJIDSGSA-N	1	0	355.442	1.079	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)C3CC3)C[C@H]2c2cccc(F)c2)C1=O	ZINC001079167519	902040741	/nfs/dbraw/zinc/04/07/41/902040741.db2.gz	GSZQDGJPLDXPQS-IPMKNSEASA-N	1	0	371.456	1.907	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)S(C)(=O)=O)CC[C@H]1c1ccc(F)cc1	ZINC001079154547	902068413	/nfs/dbraw/zinc/06/84/13/902068413.db2.gz	JFCYJLRDJHEDKW-XOKHGSTOSA-N	1	0	366.458	1.166	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CC[C@H]1c1ccc(F)cc1	ZINC001079157913	902077596	/nfs/dbraw/zinc/07/75/96/902077596.db2.gz	ISTVWYYKGHHKDH-YESZJQIVSA-N	1	0	360.433	1.357	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cncn2C)CC[C@H]1c1ccc(F)cc1	ZINC001079161610	902086777	/nfs/dbraw/zinc/08/67/77/902086777.db2.gz	ZKNKUGSSQSPANV-RBUKOAKNSA-N	1	0	354.429	1.709	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCC[NH+]1CCN(C(=O)CCC)CC1	ZINC001079165933	902095854	/nfs/dbraw/zinc/09/58/54/902095854.db2.gz	MTIGTKQBQYBLRY-MSOLQXFVSA-N	1	0	365.518	1.808	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCCCCC[NH+]1CCN(C(=O)[C@H]2OCC[C@H]2C)CC1	ZINC001079165866	902096109	/nfs/dbraw/zinc/09/61/09/902096109.db2.gz	KMYXFZIJKRKPIX-IKGGRYGDSA-N	1	0	364.490	1.002	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2nc3ncccn3n2)C[C@H]1c1cccc(F)c1	ZINC001079203822	902106072	/nfs/dbraw/zinc/10/60/72/902106072.db2.gz	QCCBYQQWSHNWFU-JKSUJKDBSA-N	1	0	366.400	1.647	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@H]1c1cccc(F)c1	ZINC001079209673	902117107	/nfs/dbraw/zinc/11/71/07/902117107.db2.gz	IXJOBTWLBSBQBW-ZWKOTPCHSA-N	1	0	355.413	1.758	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1c1cccc(F)c1	ZINC001079209957	902117130	/nfs/dbraw/zinc/11/71/30/902117130.db2.gz	QDQZSWAAQGZVON-DOTOQJQBSA-N	1	0	354.385	1.084	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C(C)C)C2)C[C@H]1c1cccc(F)c1	ZINC001079186174	902130420	/nfs/dbraw/zinc/13/04/20/902130420.db2.gz	DPXFMTUUMCKYPL-NZSAHSFTSA-N	1	0	371.456	1.600	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)S(C)(=O)=O)C[C@H]1c1cccc(F)c1	ZINC001079189197	902139831	/nfs/dbraw/zinc/13/98/31/902139831.db2.gz	IEZVAMOAIWRLNL-UHOFOFEASA-N	1	0	354.447	1.329	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCCO3)C[C@H]1c1cccc(F)c1	ZINC001079191541	902147586	/nfs/dbraw/zinc/14/75/86/902147586.db2.gz	VRIOUYZBCKGQCE-FUHWJXTLSA-N	1	0	368.412	1.636	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cncc(C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079231392	902165013	/nfs/dbraw/zinc/16/50/13/902165013.db2.gz	IVIOFQLZNQJPLI-RBUKOAKNSA-N	1	0	353.466	1.966	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3ccncc3F)[C@@H]3COC[C@@H]32)CC1	ZINC001079231453	902165604	/nfs/dbraw/zinc/16/56/04/902165604.db2.gz	LLYCURTXJPYIDC-FUHWJXTLSA-N	1	0	357.429	1.797	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H](C)n3cncn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079236968	902176995	/nfs/dbraw/zinc/17/69/95/902176995.db2.gz	GHMYVPGLTFQIKC-YESZJQIVSA-N	1	0	359.474	1.355	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCc4n[nH]cc43)[C@@H]3COC[C@@H]32)CC1	ZINC001079242371	902193735	/nfs/dbraw/zinc/19/37/35/902193735.db2.gz	WCOZWMQNJSWDNJ-HHXXYDBFSA-N	1	0	370.497	1.955	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cc(C)nnc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079242027	902196234	/nfs/dbraw/zinc/19/62/34/902196234.db2.gz	NWTLGUWFZXOLSM-ZWKOTPCHSA-N	1	0	356.470	1.832	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)[C@H](C)n3cccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079224891	902231687	/nfs/dbraw/zinc/23/16/87/902231687.db2.gz	JKCTYTIXOWPYSG-OKZBNKHCSA-N	1	0	356.470	1.407	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cc4n(n3)CCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079244876	902250986	/nfs/dbraw/zinc/25/09/86/902250986.db2.gz	KOZYKIFTKJWENG-PKOBYXMFSA-N	1	0	368.481	1.406	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@]34C[C@H]3COC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079244926	902251318	/nfs/dbraw/zinc/25/13/18/902251318.db2.gz	NCXVHIHTKCWDJH-UGNRZPKXSA-N	1	0	360.498	1.929	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)Cc3cnn(C)c3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079244894	902251439	/nfs/dbraw/zinc/25/14/39/902251439.db2.gz	LJIQLLQVPIAFNX-RBUKOAKNSA-N	1	0	370.497	1.234	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)Cc3cncs3)[C@@H]3COC[C@@H]32)CC1	ZINC001079246989	902258711	/nfs/dbraw/zinc/25/87/11/902258711.db2.gz	FSWMRZHAWWTUNY-DLBZAZTESA-N	1	0	359.495	1.648	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3onc(C)c3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079247119	902260183	/nfs/dbraw/zinc/26/01/83/902260183.db2.gz	MJJXYUVUGYSHKF-DLBZAZTESA-N	1	0	357.454	1.868	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCn4cncc4C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079248011	902263257	/nfs/dbraw/zinc/26/32/57/902263257.db2.gz	BYWVMFPCAWTXBM-YTQUADARSA-N	1	0	370.497	1.571	20	30		FDEDRO
N#CCN1CCC2(CN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079251226	902271935	/nfs/dbraw/zinc/27/19/35/902271935.db2.gz	MHNOBGPKNRQIBH-ZWKOTPCHSA-N	1	0	365.437	1.411	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)CCc3ccc(=O)[nH]c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079256936	902287068	/nfs/dbraw/zinc/28/70/68/902287068.db2.gz	NBWLOCGUOSGTTA-ZWKOTPCHSA-N	1	0	369.465	1.292	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@H](C)c3cncnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079257969	902289660	/nfs/dbraw/zinc/28/96/60/902289660.db2.gz	HBJOLTFSSOVVAO-BPQIPLTHSA-N	1	0	356.470	1.706	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cn(C(C)C)nn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079267935	902318266	/nfs/dbraw/zinc/31/82/66/902318266.db2.gz	CMMXQAFIQORILZ-DOTOQJQBSA-N	1	0	359.474	1.598	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cnn4c3CCCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079269210	902324317	/nfs/dbraw/zinc/32/43/17/902324317.db2.gz	MUPGBUAENQMKAH-PKOBYXMFSA-N	1	0	370.497	1.958	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC3(CC[NH+](CC#CC)CC3)[C@H]3COC[C@H]32)nc1	ZINC001079270397	902329941	/nfs/dbraw/zinc/32/99/41/902329941.db2.gz	PZLHCCGPGGCBRT-AZUAARDMSA-N	1	0	363.461	1.639	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(OC)n(C)n2)C[C@H]1c1ccccc1F	ZINC001079302078	902350525	/nfs/dbraw/zinc/35/05/25/902350525.db2.gz	POUZAEBOOJJGLR-WMLDXEAASA-N	1	0	358.417	1.952	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2COCCN2C)C[C@H]1c1ccccc1F	ZINC001079291658	902390016	/nfs/dbraw/zinc/39/00/16/902390016.db2.gz	GCMXALFCWSIKEJ-QXAKKESOSA-N	1	0	361.461	1.616	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1c1ccccc1F	ZINC001079292266	902393245	/nfs/dbraw/zinc/39/32/45/902393245.db2.gz	JFHIJYOFFOYKQN-GOEBONIOSA-N	1	0	359.405	1.283	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccn(CC)n2)C[C@H]1c1ccccc1F	ZINC001079295341	902399394	/nfs/dbraw/zinc/39/93/94/902399394.db2.gz	BNERLXMNAQXWCF-PKOBYXMFSA-N	1	0	354.429	1.802	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1c1ccccc1F	ZINC001079298734	902406291	/nfs/dbraw/zinc/40/62/91/902406291.db2.gz	DIIONKVFPFKIJY-WMLDXEAASA-N	1	0	354.385	1.246	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1c1ccccc1F	ZINC001079299053	902408069	/nfs/dbraw/zinc/40/80/69/902408069.db2.gz	URUHRQINADNBBX-WMLDXEAASA-N	1	0	356.401	1.798	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1c1ccccc1F	ZINC001079316147	902411952	/nfs/dbraw/zinc/41/19/52/902411952.db2.gz	ZKKIVJOPJDIRLZ-PKOBYXMFSA-N	1	0	361.461	1.618	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(CC)nn2C)C[C@H]1c1ccccc1F	ZINC001079317086	902414781	/nfs/dbraw/zinc/41/47/81/902414781.db2.gz	NLYKAPVUSKQABU-FUHWJXTLSA-N	1	0	354.429	1.953	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]CCO)C2)nc1	ZINC001079318421	902417548	/nfs/dbraw/zinc/41/75/48/902417548.db2.gz	CHWNUQJPLWOVTO-QFBILLFUSA-N	1	0	353.397	1.392	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ncoc2C)C3)CC1	ZINC000995860819	902428858	/nfs/dbraw/zinc/42/88/58/902428858.db2.gz	HZRLYKDGJSUGLB-IKGGRYGDSA-N	1	0	370.453	1.190	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N2C[C@@H](c3ccccc3F)[C@H](NCC#N)C2)CC[N@@H+]1C	ZINC001079308860	902443020	/nfs/dbraw/zinc/44/30/20/902443020.db2.gz	ZIVBJRVUHZYBBE-RIVXBTQJSA-N	1	0	358.461	1.964	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)c1ccnn1C	ZINC001079481849	902625733	/nfs/dbraw/zinc/62/57/33/902625733.db2.gz	XRNNGURBTAIOTO-RHSMWYFYSA-N	1	0	353.426	1.573	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC001079589343	902868386	/nfs/dbraw/zinc/86/83/86/902868386.db2.gz	FBBONCRXGDEHCO-PIGZYNQJSA-N	1	0	350.382	1.673	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C#N)c[nH]1)C2	ZINC000996008808	902890213	/nfs/dbraw/zinc/89/02/13/902890213.db2.gz	UENZRVUMFWTVFP-FZCLSBEQSA-N	1	0	369.469	1.621	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C#N)c[nH]1)C2	ZINC000996020287	902900507	/nfs/dbraw/zinc/90/05/07/902900507.db2.gz	KBDJWXHPVMUVKT-FZCLSBEQSA-N	1	0	369.469	1.622	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCCCO2)C3)CC1	ZINC000996078433	903101911	/nfs/dbraw/zinc/10/19/11/903101911.db2.gz	CLQJNEBCOWTXSM-XWSJACJDSA-N	1	0	373.497	1.149	20	30		FDEDRO
C=C(Br)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1	ZINC001079710607	903122001	/nfs/dbraw/zinc/12/20/01/903122001.db2.gz	PLGWWFQZJAMYEB-KCPJHIHWSA-N	1	0	356.308	1.673	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)[C@@H]2C1	ZINC001084452066	914691261	/nfs/dbraw/zinc/69/12/61/914691261.db2.gz	UKIWATGJGKRLSS-TUVASFSCSA-N	1	0	362.392	1.832	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c[nH]c(C#N)c2)C3)CC[N@@H+]1C	ZINC000996128209	903164487	/nfs/dbraw/zinc/16/44/87/903164487.db2.gz	YGYPHQLUQFMMDU-IDAWXYBZSA-N	1	0	355.442	1.088	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C[C@H]3CCNC3=O)C2)cc1C#N	ZINC001079840989	903474877	/nfs/dbraw/zinc/47/48/77/903474877.db2.gz	CYUWDBLWTWJXJL-FRFSOERESA-N	1	0	370.453	1.030	20	30		FDEDRO
CC1(C)CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC000996303475	903647610	/nfs/dbraw/zinc/64/76/10/903647610.db2.gz	GVBKINMZUARWJB-YCPHGPKFSA-N	1	0	358.417	1.145	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(NC(=O)C23CCC[NH+]2CCC3)C1	ZINC000996343518	903687938	/nfs/dbraw/zinc/68/79/38/903687938.db2.gz	PRWSAGZJGJRFII-IRXDYDNUSA-N	1	0	361.486	1.313	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cccc(C(N)=O)c2)C(C)(C)C1	ZINC000996329766	903707795	/nfs/dbraw/zinc/70/77/95/903707795.db2.gz	JNHRAIYEAADZGF-FGTMMUONSA-N	1	0	371.481	1.703	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)/C=C/c3ccco3)CCC[C@@H]12	ZINC001107255972	904157193	/nfs/dbraw/zinc/15/71/93/904157193.db2.gz	CRGCIYKDQRDIKU-JCTQASJRSA-N	1	0	355.438	1.403	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3CCC3)CCC[C@@H]12	ZINC001107248073	904160976	/nfs/dbraw/zinc/16/09/76/904160976.db2.gz	DZGHXMGGQAHGQB-YLJYHZDGSA-N	1	0	360.502	1.909	20	30		FDEDRO
Cc1cccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)c1	ZINC001107266674	904224733	/nfs/dbraw/zinc/22/47/33/904224733.db2.gz	IXRKTGFRKCDEIE-YLJYHZDGSA-N	1	0	354.454	1.609	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccn(C)c(=O)c2)CC1	ZINC000996600915	904318819	/nfs/dbraw/zinc/31/88/19/904318819.db2.gz	NENIGDMBBAGLSG-MSOLQXFVSA-N	1	0	359.470	1.447	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN2C(=O)OCC[C@H]2C1)C(C)C	ZINC000764342480	904411421	/nfs/dbraw/zinc/41/14/21/904411421.db2.gz	ZXJJSWHBMWZJMO-DLBZAZTESA-N	1	0	364.490	1.921	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1snnc1C)CC2	ZINC001107329276	904493629	/nfs/dbraw/zinc/49/36/29/904493629.db2.gz	OGAUWAUYLIIULN-NVXWUHKLSA-N	1	0	350.488	1.910	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCCOCC=C)CCC[C@@H]12	ZINC001107350077	904553065	/nfs/dbraw/zinc/55/30/65/904553065.db2.gz	AQRFRWMYYKOJLK-YLJYHZDGSA-N	1	0	361.486	1.079	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3csnc3C)CCC[C@@H]12	ZINC001107365373	904569037	/nfs/dbraw/zinc/56/90/37/904569037.db2.gz	UUBNTALZGIFPKE-CRAIPNDOSA-N	1	0	360.483	1.175	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3csnc3C)CCC[C@@H]12	ZINC001107365371	904569267	/nfs/dbraw/zinc/56/92/67/904569267.db2.gz	URZGBKABAOFNPO-CRAIPNDOSA-N	1	0	362.499	1.728	20	30		FDEDRO
C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccc(C)c1)CC2	ZINC001107366754	904573477	/nfs/dbraw/zinc/57/34/77/904573477.db2.gz	RTLCSPHOCWAECG-DENIHFKCSA-N	1	0	367.493	1.995	20	30		FDEDRO
C[C@H]1CN(C(=O)NCc2cc(C#N)ccc2F)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000764418600	904599541	/nfs/dbraw/zinc/59/95/41/904599541.db2.gz	KOJUFLQQEWEKDZ-KXBFYZLASA-N	1	0	373.476	1.865	20	30		FDEDRO
C[C@H](NC(N)=O)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2	ZINC001107377459	904615887	/nfs/dbraw/zinc/61/58/87/904615887.db2.gz	NHMVQYBUIVCZRY-YRISNDGFSA-N	1	0	368.481	1.456	20	30		FDEDRO
Cc1csc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)c1	ZINC001107389397	904638536	/nfs/dbraw/zinc/63/85/36/904638536.db2.gz	LORCHNFEISOTAA-CRAIPNDOSA-N	1	0	360.483	1.671	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCNC(=O)C1CC1)CC2	ZINC001107380861	904647852	/nfs/dbraw/zinc/64/78/52/904647852.db2.gz	BOBGZCWWFLFKQV-LSTHTHJFSA-N	1	0	363.502	1.201	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCc1ccnn1C)CC2	ZINC001107381137	904649936	/nfs/dbraw/zinc/64/99/36/904649936.db2.gz	FQJBOPHYWZBZIU-YZGWKJHDSA-N	1	0	360.502	1.651	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cc(C)n(C)n1)CC2	ZINC001107381705	904651099	/nfs/dbraw/zinc/65/10/99/904651099.db2.gz	QNVYKZRALSBDKF-YZGWKJHDSA-N	1	0	360.502	1.916	20	30		FDEDRO
CC(C)(CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2)C1CC1	ZINC001107395555	904704636	/nfs/dbraw/zinc/70/46/36/904704636.db2.gz	DPXIXEFDOUNWCH-OXQOHEQNSA-N	1	0	360.502	1.813	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](OCC)C(C)C)CCC[C@@H]12	ZINC001107403248	904743175	/nfs/dbraw/zinc/74/31/75/904743175.db2.gz	ZMCMWKBWSLNOCQ-IMFGXOCKSA-N	1	0	363.502	1.158	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3(C(F)F)CC3)CCC[C@@H]12	ZINC001107405419	904755196	/nfs/dbraw/zinc/75/51/96/904755196.db2.gz	PKKUBMAXCCOROS-MLGOLLRUSA-N	1	0	354.401	1.032	20	30		FDEDRO
C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@@H]1CCc3ncnn31)CC2	ZINC001107401256	904777973	/nfs/dbraw/zinc/77/79/73/904777973.db2.gz	DWPJZFBWXOFONF-SQGPQFPESA-N	1	0	371.485	1.166	20	30		FDEDRO
Cc1cncn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1C	ZINC001080138719	904779752	/nfs/dbraw/zinc/77/97/52/904779752.db2.gz	OCAQNBRAXXHWOQ-DNVCBOLYSA-N	1	0	367.453	1.731	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3C=CC=CC=C3)CCC[C@@H]12	ZINC001107424304	904830935	/nfs/dbraw/zinc/83/09/35/904830935.db2.gz	HMVXKJGENRDSAS-WIYYLYMNSA-N	1	0	355.482	1.948	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1coc(C(N)=O)c1	ZINC001080190748	904857113	/nfs/dbraw/zinc/85/71/13/904857113.db2.gz	FIMPPTHMBOUBLE-MLGOLLRUSA-N	1	0	352.394	1.500	20	30		FDEDRO
C=C(C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCCOCC)CC2	ZINC001107422937	904873993	/nfs/dbraw/zinc/87/39/93/904873993.db2.gz	RJLVHPGFLYDSAA-YLJYHZDGSA-N	1	0	365.518	1.856	20	30		FDEDRO
C#CCC1(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)N2CCC2)CC3)CCC1	ZINC001107432901	904885219	/nfs/dbraw/zinc/88/52/19/904885219.db2.gz	DWYACQYYDGEBBZ-DYESRHJHSA-N	1	0	357.498	1.773	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107436739	904905738	/nfs/dbraw/zinc/90/57/38/904905738.db2.gz	MZKHZSJMQZDKCO-YLJYHZDGSA-N	1	0	369.469	1.288	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC3(F)F)CCC[C@@H]12	ZINC001107446496	904957456	/nfs/dbraw/zinc/95/74/56/904957456.db2.gz	KBVKJIPNSKKFQD-CKEIUWERSA-N	1	0	353.413	1.142	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)Cn3nnc(-c4ccco4)n3)CCC[C@@H]12	ZINC001107459409	904979715	/nfs/dbraw/zinc/97/97/15/904979715.db2.gz	SHCMIYUFDVKOFU-VQIMIIECSA-N	1	0	370.457	1.870	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]2C)cc1	ZINC001080245871	904998685	/nfs/dbraw/zinc/99/86/85/904998685.db2.gz	JEXNLMXXYYHGLZ-VQIMIIECSA-N	1	0	353.466	1.731	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4nccn4C3)CCC[C@@H]12	ZINC001107457393	905023637	/nfs/dbraw/zinc/02/36/37/905023637.db2.gz	RTDZJRZCQYNKPE-DBXWQHBBSA-N	1	0	370.497	1.456	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)Cn3cc(C4CC4)cn3)CCC[C@@H]12	ZINC001107457922	905028196	/nfs/dbraw/zinc/02/81/96/905028196.db2.gz	XFOLEFJHQDJQRR-TZIWHRDSSA-N	1	0	370.497	1.771	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CCS(=O)(=O)C3)CCC[C@@H]12	ZINC001107465239	905035140	/nfs/dbraw/zinc/03/51/40/905035140.db2.gz	RNBWDPAJSQXCDT-JFIYKMOQSA-N	1	0	354.516	1.748	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3cccnc3)CCC[C@@H]12	ZINC001107466536	905042792	/nfs/dbraw/zinc/04/27/92/905042792.db2.gz	RIPDGUVJTNIRDW-YLJYHZDGSA-N	1	0	369.469	1.015	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)CCN3C(=O)CCC3=O)CCC[C@@H]12	ZINC001107466512	905044259	/nfs/dbraw/zinc/04/42/59/905044259.db2.gz	PVLHTZGBTLSLSS-OXQOHEQNSA-N	1	0	361.486	1.853	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3ccncc3)CCC[C@@H]12	ZINC001107461119	905062809	/nfs/dbraw/zinc/06/28/09/905062809.db2.gz	XAGQKKNECQHZTA-WIYYLYMNSA-N	1	0	368.481	1.124	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cn4cccnc4n3)CCC[C@@H]12	ZINC001107461963	905066954	/nfs/dbraw/zinc/06/69/54/905066954.db2.gz	QQNDDASBFRBVGY-YLJYHZDGSA-N	1	0	367.453	1.354	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3cccnc3)CCC[C@@H]12	ZINC001107463718	905070122	/nfs/dbraw/zinc/07/01/22/905070122.db2.gz	AZNMUZOBNOTMOA-WIYYLYMNSA-N	1	0	368.481	1.124	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@]2(C3CCCC3)CCNC2=O)[C@H](OC)C1	ZINC001081811431	905135334	/nfs/dbraw/zinc/13/53/34/905135334.db2.gz	XOTGFWZTIFCYNH-MBOZVWFJSA-N	1	0	363.502	1.465	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CC(C)(C)COC)CCC[C@@H]12	ZINC001107486790	905167055	/nfs/dbraw/zinc/16/70/55/905167055.db2.gz	KXPNCCHOUSTCAS-OXQOHEQNSA-N	1	0	363.502	1.159	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC)CC3)cc1	ZINC001107494633	905193647	/nfs/dbraw/zinc/19/36/47/905193647.db2.gz	RLUPCZMYUBUPDN-WIYYLYMNSA-N	1	0	353.466	1.778	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)C(F)(F)F)CCC[C@@H]12	ZINC001107506189	905288328	/nfs/dbraw/zinc/28/83/28/905288328.db2.gz	CKZVMDUIHHYQTJ-XJKCOSOUSA-N	1	0	361.408	1.848	20	30		FDEDRO
C=CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC2)CC1	ZINC000996776484	905301108	/nfs/dbraw/zinc/30/11/08/905301108.db2.gz	NRHFDJMYNJWIKZ-OPQOLIRYSA-N	1	0	357.502	1.744	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)C4(C(N)=O)CC4)CCC[C@@H]23)cc1	ZINC001107528503	905390918	/nfs/dbraw/zinc/39/09/18/905390918.db2.gz	YDRYJGOULCBTTB-YLJYHZDGSA-N	1	0	366.465	1.685	20	30		FDEDRO
C=C1CCC(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NC(N)=O)CC3)CC1	ZINC001107532330	905396132	/nfs/dbraw/zinc/39/61/32/905396132.db2.gz	PTXXZYHLKYVFIB-DNVCBOLYSA-N	1	0	362.474	1.289	20	30		FDEDRO
C=CCC1(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)CCC1	ZINC001107535991	905415453	/nfs/dbraw/zinc/41/54/53/905415453.db2.gz	BGOYIYAUWKXDCA-OXQOHEQNSA-N	1	0	358.486	1.733	20	30		FDEDRO
COc1ccc(C#N)cc1CN1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1	ZINC001080441461	905440269	/nfs/dbraw/zinc/44/02/69/905440269.db2.gz	MIAKOLWKESTCRY-JTDSTZFVSA-N	1	0	370.497	1.988	20	30		FDEDRO
Cn1nccc1[C@@H]1C[C@H]1C(=O)NC1CCC([NH+]2CCN(CC#N)CC2)CC1	ZINC000996783871	905449656	/nfs/dbraw/zinc/44/96/56/905449656.db2.gz	XANZABCAEODFKT-OPQOLIRYSA-N	1	0	370.501	1.092	20	30		FDEDRO
C[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1	ZINC001080447012	905449890	/nfs/dbraw/zinc/44/98/90/905449890.db2.gz	UMQTWMKSQIIUNV-SQGPQFPESA-N	1	0	357.473	1.956	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3cccnc3C)CCC[C@@H]12	ZINC001107546445	905513307	/nfs/dbraw/zinc/51/33/07/905513307.db2.gz	CQQBQQIHJGWAEV-WIYYLYMNSA-N	1	0	368.481	1.043	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](OC)C3CCC3)C[C@H]2OC)cc1	ZINC001082012869	905556609	/nfs/dbraw/zinc/55/66/09/905556609.db2.gz	NIAHYHOHNRKSTN-VAMGGRTRSA-N	1	0	356.466	1.912	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCO[C@H]3C=C)CCC[C@@H]12	ZINC001107553969	905564783	/nfs/dbraw/zinc/56/47/83/905564783.db2.gz	SBHPEXQJYZQTOQ-AXVVYFOYSA-N	1	0	361.486	1.241	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3ccco3)CCC[C@@H]12	ZINC001107554513	905569022	/nfs/dbraw/zinc/56/90/22/905569022.db2.gz	BOKDJZBQGIHHNJ-BZSOYRFXSA-N	1	0	369.465	1.493	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C3(NC(N)=O)CCCCC3)CCC[C@@H]12	ZINC001107568208	905682832	/nfs/dbraw/zinc/68/28/32/905682832.db2.gz	VQDDGXQNXDCNEU-VQIMIIECSA-N	1	0	360.502	1.742	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4cccnn43)CCC[C@@H]12	ZINC001107569899	905691939	/nfs/dbraw/zinc/69/19/39/905691939.db2.gz	PAZWBEVVCHGZNQ-TZIWHRDSSA-N	1	0	366.465	1.959	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCC)CC2	ZINC001107570329	905693520	/nfs/dbraw/zinc/69/35/20/905693520.db2.gz	YWVRZANOCGIOKV-QWFCFKBJSA-N	1	0	365.518	1.855	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)C(=O)NCc3ccc(F)cc3)CCC[C@@H]12	ZINC001107572517	905705777	/nfs/dbraw/zinc/70/57/77/905705777.db2.gz	BTTVDOAXQSAQMT-YLJYHZDGSA-N	1	0	357.429	1.436	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3(C)CCOCC3)CCC[C@@H]12	ZINC001107580295	905791703	/nfs/dbraw/zinc/79/17/03/905791703.db2.gz	ZEVCNBPAISCHCV-OXQOHEQNSA-N	1	0	363.502	1.466	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]2OC)CC1	ZINC001082102214	905798560	/nfs/dbraw/zinc/79/85/60/905798560.db2.gz	YKZNCHVQQUHXPP-GVDBMIGSSA-N	1	0	359.474	1.327	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1nc2ncccn2n1	ZINC001080644936	905825389	/nfs/dbraw/zinc/82/53/89/905825389.db2.gz	LBJINEKZJGKZFZ-CZUORRHYSA-N	1	0	361.409	1.246	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(OC)nn3)CCC[C@@H]12	ZINC001107596428	905855751	/nfs/dbraw/zinc/85/57/51/905855751.db2.gz	GNYZHCQHIDCWOH-VQIMIIECSA-N	1	0	358.442	1.109	20	30		FDEDRO
COCCC[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107600916	905912650	/nfs/dbraw/zinc/91/26/50/905912650.db2.gz	FZFDHUMJTFPCPT-GPMSIDNRSA-N	1	0	364.490	1.050	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)COCCCOC)CCC[C@@H]12	ZINC001107601067	905913953	/nfs/dbraw/zinc/91/39/53/905913953.db2.gz	LDXANAQESIZADN-IEBWSBKVSA-N	1	0	352.475	1.050	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)COCCCOC)CCC[C@@H]12	ZINC001107603777	905941304	/nfs/dbraw/zinc/94/13/04/905941304.db2.gz	PKHRBWDVLBHSNB-IEBWSBKVSA-N	1	0	354.491	1.603	20	30		FDEDRO
C[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2)C1CCCC1	ZINC001107606167	905950155	/nfs/dbraw/zinc/95/01/55/905950155.db2.gz	ORRXAFZKMYBWJP-XAUMDUMWSA-N	1	0	360.502	1.813	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4n[nH]cc4C3)CCC[C@@H]12	ZINC001107608363	905955099	/nfs/dbraw/zinc/95/50/99/905955099.db2.gz	NZCSYSOWJKWATP-OZOXKJRCSA-N	1	0	370.497	1.525	20	30		FDEDRO
CCNC(=O)CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC#CCOC)CC2	ZINC001107612234	905976007	/nfs/dbraw/zinc/97/60/07/905976007.db2.gz	XNGZXNFOIIUVNN-YLJYHZDGSA-N	1	0	363.502	1.303	20	30		FDEDRO
Cc1ccc(C)c(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)c1	ZINC001107617861	906016644	/nfs/dbraw/zinc/01/66/44/906016644.db2.gz	RTBAOPAXMOLPQG-WIYYLYMNSA-N	1	0	368.481	1.918	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](NC(=O)C2(N3CCOCC3)CCCC2)[C@H](OC)C1	ZINC001082191891	906138453	/nfs/dbraw/zinc/13/84/53/906138453.db2.gz	KQCZMIPOOOVSSW-IAGOWNOFSA-N	1	0	351.491	1.023	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)CCc3cnn(C)c3)CCC[C@@H]12	ZINC001107643682	906218598	/nfs/dbraw/zinc/21/85/98/906218598.db2.gz	RJQGIHCZVOQWJW-UYAOXDASSA-N	1	0	360.502	1.916	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](NC(=O)c2c(F)cccc2NC(N)=O)[C@H](OC)C1	ZINC001082187644	906231877	/nfs/dbraw/zinc/23/18/77/906231877.db2.gz	UZYKFRHNNZPRRL-ZIAGYGMSSA-N	1	0	350.394	1.321	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCc3cnn(CC)c3)C[C@H]2C)nc1	ZINC001080808085	906296630	/nfs/dbraw/zinc/29/66/30/906296630.db2.gz	IBESSWZGVJBXDC-DNVCBOLYSA-N	1	0	351.454	1.572	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCc3nc(C)no3)C[C@H]2C)cn1	ZINC001080809598	906337185	/nfs/dbraw/zinc/33/71/85/906337185.db2.gz	ZOOJKCXUPHWVFN-CXAGYDPISA-N	1	0	353.426	1.437	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)nc3n[nH]c(C)c32)[C@H](OC)C1	ZINC001082237791	906359374	/nfs/dbraw/zinc/35/93/74/906359374.db2.gz	RWYSQBPTXHKJCE-HZPDHXFCSA-N	1	0	357.458	1.970	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C3)CC1	ZINC000996900850	906372779	/nfs/dbraw/zinc/37/27/79/906372779.db2.gz	LUHQITRLWWRQIE-RMMWZPCPSA-N	1	0	369.509	1.626	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(CC)C2=O)C[C@H]1C	ZINC001080851562	906445832	/nfs/dbraw/zinc/44/58/32/906445832.db2.gz	PRWWMGQXWIHQLS-LZQZEXGQSA-N	1	0	353.466	1.268	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1C	ZINC001080851585	906446259	/nfs/dbraw/zinc/44/62/59/906446259.db2.gz	QUHBWSOERXYPKK-DNVCBOLYSA-N	1	0	366.465	1.971	20	30		FDEDRO
C=C(C)CC[NH2+][C@H]1CCN(c2cccc(CNC(=O)[C@]34C[C@H]3COC4)n2)C1	ZINC001127833035	906479066	/nfs/dbraw/zinc/47/90/66/906479066.db2.gz	WFYXORFKWZCYFE-MDKPJZGXSA-N	1	0	370.497	1.869	20	30		FDEDRO
C=CC(C)(C)CC(=O)NC1(CO)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001080870929	906528918	/nfs/dbraw/zinc/52/89/18/906528918.db2.gz	FIGCWFHHKHEBQC-HZPDHXFCSA-N	1	0	365.518	1.399	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001080877728	906564863	/nfs/dbraw/zinc/56/48/63/906564863.db2.gz	JYFZRAYYSWHBTP-MDZRGWNJSA-N	1	0	365.518	1.399	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCN(c2cccc(CNC(=O)[C@]34C[C@H]3COC4)n2)C1	ZINC001127838589	906572488	/nfs/dbraw/zinc/57/24/88/906572488.db2.gz	AGXSOPGBDHFCDL-CDXJDZJCSA-N	1	0	370.497	1.869	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCN(c2cccc(CNC(=O)[C@H]3OCC[C@H]3CC)n2)C1	ZINC001127839463	906625851	/nfs/dbraw/zinc/62/58/51/906625851.db2.gz	PYRUQSMJDYPDCF-POAQFYNOSA-N	1	0	370.497	1.705	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[NH+]1CCCC1	ZINC000996982131	906779129	/nfs/dbraw/zinc/77/91/29/906779129.db2.gz	HYFGSCSQNQPJTH-ZBRFXRBCSA-N	1	0	361.486	1.312	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCCO3)C[C@H]2OC)cn1	ZINC001082333734	906828308	/nfs/dbraw/zinc/82/83/08/906828308.db2.gz	WZDUQHWQDSFCIE-IPMKNSEASA-N	1	0	357.454	1.451	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2nn(C)cc2Cl)CC1	ZINC000997011151	906923689	/nfs/dbraw/zinc/92/36/89/906923689.db2.gz	JZLBTCOLZWPVML-CJNGLKHVSA-N	1	0	352.866	1.745	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(CCC)cc2)C[C@H]1O	ZINC001077697947	906939391	/nfs/dbraw/zinc/93/93/91/906939391.db2.gz	JSLPHEALACCCDU-WTGUMLROSA-N	1	0	358.482	1.892	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3ccn(C(C)C)n3)C[C@H]2C)CC1	ZINC001080997903	906973609	/nfs/dbraw/zinc/97/36/09/906973609.db2.gz	OKASRJABUSBORX-YLJYHZDGSA-N	1	0	371.529	1.746	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2c2ccccc2)nn1	ZINC001081099223	907124562	/nfs/dbraw/zinc/12/45/62/907124562.db2.gz	SRMFQRGQIQWYRM-FHLIZLRMSA-N	1	0	365.437	1.729	20	30		FDEDRO
C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)CC1	ZINC000997082371	907203919	/nfs/dbraw/zinc/20/39/19/907203919.db2.gz	AJIXRDWWNQSHBR-GDBMZVCRSA-N	1	0	352.866	1.621	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(C(N)=O)nc2)C[C@H]1c1ccccc1	ZINC001081133859	907235023	/nfs/dbraw/zinc/23/50/23/907235023.db2.gz	IRUCPKVMOMXEQC-PKOBYXMFSA-N	1	0	364.449	1.493	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2COCCN2CC)C[C@H]1c1ccccc1	ZINC001081137769	907242688	/nfs/dbraw/zinc/24/26/88/907242688.db2.gz	ORQNAKMWBMRXBG-XUVXKRRUSA-N	1	0	357.498	1.867	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCCN2C(=O)CCC)[C@H](OC)C1	ZINC001082381457	907352369	/nfs/dbraw/zinc/35/23/69/907352369.db2.gz	MPVSJLCHACMXCE-BRWVUGGUSA-N	1	0	351.491	1.559	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN(C(=O)CCC)C2)[C@H](OC)C1	ZINC001082383034	907374026	/nfs/dbraw/zinc/37/40/26/907374026.db2.gz	FPYFNUYVHGBKIL-GVDBMIGSSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CNC(C)=O)s2)C1	ZINC001077743497	907461170	/nfs/dbraw/zinc/46/11/70/907461170.db2.gz	ZGGJUHFPCJYITQ-HUUCEWRRSA-N	1	0	351.472	1.125	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1)n1cccn1	ZINC001082432106	907699208	/nfs/dbraw/zinc/69/92/08/907699208.db2.gz	CSBNWZMJJZXNQX-JTDSTZFVSA-N	1	0	367.453	1.983	20	30		FDEDRO
COc1ccc2c(C[NH2+][C@@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C)cc(=O)oc2c1	ZINC001082451250	907729916	/nfs/dbraw/zinc/72/99/16/907729916.db2.gz	UQPWZEWPKKSNTA-PBFPGSCMSA-N	1	0	369.421	1.898	20	30		FDEDRO
C[C@@H]1CN(C(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCO1	ZINC000073397020	907756594	/nfs/dbraw/zinc/75/65/94/907756594.db2.gz	JIJYEQHSMWGUIL-QGZVFWFLSA-N	1	0	356.470	1.313	20	30		FDEDRO
Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)nn1C	ZINC001082438518	907765216	/nfs/dbraw/zinc/76/52/16/907765216.db2.gz	GWLISLHVISOIJP-KZULUSFZSA-N	1	0	355.417	1.990	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1O	ZINC001077776622	907844918	/nfs/dbraw/zinc/84/49/18/907844918.db2.gz	XZKIJFMXXYAMTM-HSALFYBXSA-N	1	0	370.497	1.482	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cccc(=O)[nH]3)C[C@H]2C)cc1C#N	ZINC001082460934	907889134	/nfs/dbraw/zinc/88/91/34/907889134.db2.gz	GDCAEQHRCUDTMO-CXAGYDPISA-N	1	0	366.421	1.918	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1C	ZINC001082474420	907929095	/nfs/dbraw/zinc/92/90/95/907929095.db2.gz	LLSNBNGGRQJJRQ-CZUORRHYSA-N	1	0	353.426	1.551	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]CC(=O)N1CCCC[C@H]1C	ZINC001082480256	907948677	/nfs/dbraw/zinc/94/86/77/907948677.db2.gz	RYKWRRAGLYEUNS-CKEIUWERSA-N	1	0	357.458	1.337	20	30		FDEDRO
COc1coc(C[NH2+][C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)cc1=O	ZINC001082480367	907948863	/nfs/dbraw/zinc/94/88/63/907948863.db2.gz	DLPVFSBKMXWNNH-IAQYHMDHSA-N	1	0	356.382	1.098	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1	ZINC000997235299	908072214	/nfs/dbraw/zinc/07/22/14/908072214.db2.gz	SOUUDDWVGNRRQG-QRQLOZEOSA-N	1	0	365.518	1.269	20	30		FDEDRO
Cc1csc2nc(C[NH2+][C@@H]3CN(C(=O)C#CC4CC4)C[C@H]3C)cc(=O)n12	ZINC001082504659	908116435	/nfs/dbraw/zinc/11/64/35/908116435.db2.gz	URDODTJXNRVZEU-MLGOLLRUSA-N	1	0	370.478	1.414	20	30		FDEDRO
Cc1cccn(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)c1=O	ZINC001082509028	908163636	/nfs/dbraw/zinc/16/36/36/908163636.db2.gz	KSBRDWHGNFEALZ-VQIMIIECSA-N	1	0	364.449	1.665	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccn(C(F)F)n3)C[C@H]2C)C1=O	ZINC001082533953	908303675	/nfs/dbraw/zinc/30/36/75/908303675.db2.gz	MCYICTDSCZACSE-YRGRVCCFSA-N	1	0	367.400	1.115	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(C)no2)CC1	ZINC000997356329	908310779	/nfs/dbraw/zinc/31/07/79/908310779.db2.gz	CLWFTWYFDYHHAF-IKGGRYGDSA-N	1	0	370.453	1.190	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](F)C(C)C)CC1	ZINC000997356876	908313604	/nfs/dbraw/zinc/31/36/04/908313604.db2.gz	GMTLKLUXHIZESZ-OWSLCNJRSA-N	1	0	363.477	1.574	20	30		FDEDRO
C[C@H](C#N)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C[NH+](C)C)C2	ZINC000997358189	908314334	/nfs/dbraw/zinc/31/43/34/908314334.db2.gz	ANILJPMVBQGHRU-WCZJQEMASA-N	1	0	354.454	1.770	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2occc2C)CC1	ZINC000997358355	908316556	/nfs/dbraw/zinc/31/65/56/908316556.db2.gz	ZKLZHIWCWAHDPK-SQNIBIBYSA-N	1	0	369.465	1.795	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082541797	908407113	/nfs/dbraw/zinc/40/71/13/908407113.db2.gz	MXWHRLMAODNZRV-SRCQZFHVSA-N	1	0	358.417	1.112	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082542652	908415543	/nfs/dbraw/zinc/41/55/43/908415543.db2.gz	PYLPZNGNRGQFCJ-SRCQZFHVSA-N	1	0	358.417	1.112	20	30		FDEDRO
Cc1c(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)cnn1C	ZINC001082552062	908516146	/nfs/dbraw/zinc/51/61/46/908516146.db2.gz	YFEMGQBKJLYXGU-BFUOFWGJSA-N	1	0	369.444	1.919	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082562754	908645212	/nfs/dbraw/zinc/64/52/12/908645212.db2.gz	JQXZAPZRXZWWHD-SJKOYZFVSA-N	1	0	369.400	1.537	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(Cl)n2)C1	ZINC001082567780	908702024	/nfs/dbraw/zinc/70/20/24/908702024.db2.gz	ALVTZDLVHQIWAR-OIISXLGYSA-N	1	0	360.889	1.769	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(COC)c2)C1	ZINC001082567892	908705027	/nfs/dbraw/zinc/70/50/27/908705027.db2.gz	JOAKQQVJFHICES-UIFIKXQLSA-N	1	0	369.509	1.867	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc4n(n3)CCCC4)C[C@H]2C)C1=O	ZINC001082581592	908788973	/nfs/dbraw/zinc/78/89/73/908788973.db2.gz	STWHWMLOAJXBQK-QGPMSJSTSA-N	1	0	371.485	1.056	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cnc3n2CCOC3)C[C@H]1C	ZINC001082573480	908810533	/nfs/dbraw/zinc/81/05/33/908810533.db2.gz	UIPUIKLTCZPWSI-ZYHUDNBSSA-N	1	0	369.263	1.372	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(CCF)c2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082609881	908997084	/nfs/dbraw/zinc/99/70/84/908997084.db2.gz	MSCUQIWSFLMVNC-RDTXWAMCSA-N	1	0	355.417	1.975	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Nc1cc(C#N)ccc1F	ZINC000888356064	909017403	/nfs/dbraw/zinc/01/74/03/909017403.db2.gz	DABWBTPDJMDZTD-MRXNPFEDSA-N	1	0	361.421	1.762	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccnc(C4CC4)c3)C[C@H]2C)C1=O	ZINC001082621373	909129976	/nfs/dbraw/zinc/12/99/76/909129976.db2.gz	LUOUWLKIGMPFHE-DKSSEZFCSA-N	1	0	368.481	1.796	20	30		FDEDRO
COc1nccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)n1	ZINC001082636197	909232339	/nfs/dbraw/zinc/23/23/39/909232339.db2.gz	BAUHHKPESFBBFE-SJKOYZFVSA-N	1	0	369.400	1.746	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCc4ccccc43)C[C@H]2O)nn1	ZINC001077813000	909301482	/nfs/dbraw/zinc/30/14/82/909301482.db2.gz	XAAROGQIDWNZMN-NZSAHSFTSA-N	1	0	367.453	1.317	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2coc3c2C(=O)NCCC3)C[C@H]1C	ZINC001082654679	909338363	/nfs/dbraw/zinc/33/83/63/909338363.db2.gz	FSBHWPHYTJYKOQ-ZWNOBZJWSA-N	1	0	351.834	1.758	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3c(C)cc(C)nc3C)C[C@H]2C)C1=O	ZINC001082654933	909341706	/nfs/dbraw/zinc/34/17/06/909341706.db2.gz	XCQKQKVSAPMOKM-ZTFGCOKTSA-N	1	0	370.497	1.844	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc(CC)nnc3C)C[C@H]2C)C1=O	ZINC001082663982	909403488	/nfs/dbraw/zinc/40/34/88/909403488.db2.gz	QDBYQWHKICFHJI-FSPWUOQZSA-N	1	0	371.485	1.184	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc(F)ccc3C)C[C@H]2C)C1=O	ZINC001082671951	909432717	/nfs/dbraw/zinc/43/27/17/909432717.db2.gz	JQWPTTRRQMJESV-ZTFGCOKTSA-N	1	0	359.445	1.971	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCc2cccc(C)c2)C[C@@H]1O	ZINC001083790201	909520928	/nfs/dbraw/zinc/52/09/28/909520928.db2.gz	UREBJQNTAHUOCM-ZRNYENFQSA-N	1	0	358.482	1.680	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H]3CCN(CC=C)C3=O)C2)cc1	ZINC001082678456	909562146	/nfs/dbraw/zinc/56/21/46/909562146.db2.gz	XUUSWYZCYQCTLJ-ATZDWAIDSA-N	1	0	351.450	1.505	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CCc3ccccn3)C[C@H]2C)C1=O	ZINC001082680594	909588058	/nfs/dbraw/zinc/58/80/58/909588058.db2.gz	PGMWCPNDZLXZTI-KBAYOESNSA-N	1	0	356.470	1.238	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(F)c1	ZINC000997772037	909663388	/nfs/dbraw/zinc/66/33/88/909663388.db2.gz	KNWQMNPBVMJXTH-NVXWUHKLSA-N	1	0	360.389	1.691	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cnc4n3CCCC4)C[C@H]2C)C1=O	ZINC001082700983	909680361	/nfs/dbraw/zinc/68/03/61/909680361.db2.gz	FPQDVCNVFIPIKD-BZUAXINKSA-N	1	0	371.485	1.056	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC(C[NH2+]Cc3ccccc3C#N)CC2)C1	ZINC000997780443	909682615	/nfs/dbraw/zinc/68/26/15/909682615.db2.gz	ADULNHWJYJSOCS-DNVCBOLYSA-N	1	0	368.481	1.801	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[NH2+][C@H](C)c2nnnn2C)CC1	ZINC000997782563	909689952	/nfs/dbraw/zinc/68/99/52/909689952.db2.gz	XBRUCPOBVSDSBS-BMFZPTHFSA-N	1	0	362.478	1.081	20	30		FDEDRO
Cc1ncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)n1C	ZINC001082705622	909719094	/nfs/dbraw/zinc/71/90/94/909719094.db2.gz	QDJMRHNVGMHGFV-RDTXWAMCSA-N	1	0	367.453	1.881	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cccc(F)c3F)C[C@H]2C)C1=O	ZINC001082711846	909775890	/nfs/dbraw/zinc/77/58/90/909775890.db2.gz	MRAZQHMQFVSAAD-UHOFOFEASA-N	1	0	363.408	1.802	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(=O)n4nccc4[nH]3)C2)CC1	ZINC001082722755	909833584	/nfs/dbraw/zinc/83/35/84/909833584.db2.gz	GHRJVAFPVBTVNZ-RHSMWYFYSA-N	1	0	369.469	1.706	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082725353	909843963	/nfs/dbraw/zinc/84/39/63/909843963.db2.gz	ZSKAKIQFIHTWQX-FXHACXQTSA-N	1	0	358.417	1.303	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccnc(OC)n3)C2)c1	ZINC001082730112	909863405	/nfs/dbraw/zinc/86/34/05/909863405.db2.gz	AUUHWTGPQOOODK-CXAGYDPISA-N	1	0	351.410	1.112	20	30		FDEDRO
CCc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)nnn1CC	ZINC001082737345	909912014	/nfs/dbraw/zinc/91/20/14/909912014.db2.gz	UCYWIGBXAYJKFH-RHSMWYFYSA-N	1	0	366.469	1.982	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)Cc3cccnc3C)C[C@H]2C)C1=O	ZINC001082739976	909928494	/nfs/dbraw/zinc/92/84/94/909928494.db2.gz	HOCDHDCRISKYJF-FHLIZLRMSA-N	1	0	356.470	1.156	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082750416	909989577	/nfs/dbraw/zinc/98/95/77/909989577.db2.gz	NHVRJFOKGGKOQD-SJKOYZFVSA-N	1	0	356.405	1.385	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cccc(OC)c3C)C[C@H]2C)C1=O	ZINC001082766527	910060245	/nfs/dbraw/zinc/06/02/45/910060245.db2.gz	CSIKBIXHIJQFMN-ZTFGCOKTSA-N	1	0	371.481	1.841	20	30		FDEDRO
CCCN1C[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)CC1=O	ZINC001082772143	910088782	/nfs/dbraw/zinc/08/87/82/910088782.db2.gz	BHZYMYXRACTDIN-AYOQOUSVSA-N	1	0	368.481	1.753	20	30		FDEDRO
Cc1ccn(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)s3)C2)c(=O)c1	ZINC001082774074	910099082	/nfs/dbraw/zinc/09/90/82/910099082.db2.gz	YGSARFCXJDLTKT-RHSMWYFYSA-N	1	0	370.478	1.727	20	30		FDEDRO
C[C@@H]1CN(C(=O)COC2CCOCC2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082778129	910121479	/nfs/dbraw/zinc/12/14/79/910121479.db2.gz	SWEDZZCIRGDVRJ-DNVCBOLYSA-N	1	0	357.454	1.690	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnnn2CC)C1	ZINC001082795224	910179982	/nfs/dbraw/zinc/17/99/82/910179982.db2.gz	LKKYPNZTIBNTBG-SPUZQDLCSA-N	1	0	361.490	1.606	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCn3cncn3)C2)cc1	ZINC001082791260	910193337	/nfs/dbraw/zinc/19/33/37/910193337.db2.gz	IUNTWOIYBKIWHG-CRAIPNDOSA-N	1	0	353.426	1.040	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H](C)c3cnc(C)cn3)C2)nn1	ZINC001082791300	910193487	/nfs/dbraw/zinc/19/34/87/910193487.db2.gz	KPBOJUZGRMOISZ-IVMMDQJWSA-N	1	0	355.446	1.374	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cn[nH]c2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082794993	910207372	/nfs/dbraw/zinc/20/73/72/910207372.db2.gz	ZSVFGPWNMXPVNS-DNVCBOLYSA-N	1	0	367.453	1.881	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C3)nc1	ZINC000998070714	910286498	/nfs/dbraw/zinc/28/64/98/910286498.db2.gz	HWDCVZLQPHYPOC-XGXHKWSGSA-N	1	0	366.465	1.409	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc3ncccn3n2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082817731	910295586	/nfs/dbraw/zinc/29/55/86/910295586.db2.gz	QZGUNDRXCXYHPQ-RDTXWAMCSA-N	1	0	360.421	1.851	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3csc(Cl)n3)C[C@H]2C)C1=O	ZINC001082843705	910411695	/nfs/dbraw/zinc/41/16/95/910411695.db2.gz	YDBAGCNXTIJZIK-IJLUTSLNSA-N	1	0	368.890	1.634	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC(C[NH2+][C@H]2CCN(C)C2=O)CC1	ZINC000998139203	910448588	/nfs/dbraw/zinc/44/85/88/910448588.db2.gz	PWGWXANXVBYSBJ-BZSNNMDCSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnnn2CC)C1	ZINC001082851481	910463609	/nfs/dbraw/zinc/46/36/09/910463609.db2.gz	GUIVOKGRKSZQKL-GDBMZVCRSA-N	1	0	370.457	1.508	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(N)=O)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082853055	910470890	/nfs/dbraw/zinc/47/08/90/910470890.db2.gz	CMNKQWIVXMEVKC-OLMNPRSZSA-N	1	0	369.469	1.428	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(OC)no2)C1	ZINC001082869230	910513322	/nfs/dbraw/zinc/51/33/22/910513322.db2.gz	YJICIMKHPFOEKA-CZUORRHYSA-N	1	0	370.409	1.341	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(OC)ns3)C2)cn1	ZINC001082870142	910517007	/nfs/dbraw/zinc/51/70/07/910517007.db2.gz	BSCKKJNLXCMUQR-MLGOLLRUSA-N	1	0	356.451	1.778	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H]3CCN(C(C)(C)C)C3=O)C2)cn1	ZINC001082870792	910519451	/nfs/dbraw/zinc/51/94/51/910519451.db2.gz	LWMLZNAYAXYYAS-ZTFGCOKTSA-N	1	0	368.481	1.512	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)CCc2cncn2C)C[C@H]1C	ZINC001082893293	910745903	/nfs/dbraw/zinc/74/59/03/910745903.db2.gz	ZYMBCTOQWQEGFC-BXUZGUMPSA-N	1	0	355.280	1.698	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082920737	910919200	/nfs/dbraw/zinc/91/92/00/910919200.db2.gz	BAJPBXOPAUZKTQ-RDTXWAMCSA-N	1	0	353.426	1.573	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)CC1	ZINC000273066779	911026123	/nfs/dbraw/zinc/02/61/23/911026123.db2.gz	NQRRVMXNXQMWPE-UHFFFAOYSA-N	1	0	374.441	1.122	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3c(C)nsc3C)C[C@H]2C)C1=O	ZINC001082948712	911089154	/nfs/dbraw/zinc/08/91/54/911089154.db2.gz	WAWZEOWTWZSJFT-BYCMXARLSA-N	1	0	362.499	1.597	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)CC4CCCC4)[C@H]3C2)C1=O	ZINC001082986696	911332233	/nfs/dbraw/zinc/33/22/33/911332233.db2.gz	PNQNOYYCVXNYSX-OKZBNKHCSA-N	1	0	361.486	1.265	20	30		FDEDRO
N#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccn4c[nH+]cc4c2)C3)[nH]1	ZINC000998815084	911726526	/nfs/dbraw/zinc/72/65/26/911726526.db2.gz	TVLROPMOTPSDJK-JLSDUUJJSA-N	1	0	374.404	1.710	20	30		FDEDRO
C=CCC[N@H+]1C[C@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC2(CCOCC2)C1	ZINC001089939466	912051271	/nfs/dbraw/zinc/05/12/71/912051271.db2.gz	RVNQDLIFKVZXDR-BRWVUGGUSA-N	1	0	363.502	1.465	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)CCc3ncc(C(C)(C)C)o3)[C@H]2C1	ZINC001083108021	912059515	/nfs/dbraw/zinc/05/95/15/912059515.db2.gz	QJPAGMMYZGKQOJ-JKSUJKDBSA-N	1	0	359.470	1.840	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CCO[C@@H]3C[N@@H+]([C@@H](C)COC)C[C@@H]32)cc1	ZINC001083123678	912065551	/nfs/dbraw/zinc/06/55/51/912065551.db2.gz	NPQVNZXSCHNVFX-ZYSHUDEJSA-N	1	0	360.454	1.812	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3COc4ccc(F)cc4C3)[C@H]2C1	ZINC001083142449	912166417	/nfs/dbraw/zinc/16/64/17/912166417.db2.gz	JQGOOFNYYBXQRX-VDZJLULYSA-N	1	0	360.429	1.865	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@@H]4CCCC(=O)N4)[C@@H]3C2)cc1	ZINC001084504311	915055311	/nfs/dbraw/zinc/05/53/11/915055311.db2.gz	JIGCQBBLANTHPE-CEXWTWQISA-N	1	0	366.465	1.650	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001084664656	915962220	/nfs/dbraw/zinc/96/22/20/915962220.db2.gz	IMTGVVTYRSDFIP-AKHDSKFASA-N	1	0	366.465	1.315	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@H]3CC[N@H+](CC[C@@H]4CCCO4)C[C@H]32)nn1	ZINC001084713348	916451132	/nfs/dbraw/zinc/45/11/32/916451132.db2.gz	XSILQJVQGAOKCL-SOLBZPMBSA-N	1	0	359.474	1.570	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@H]2CC[N@H+](CC[C@H]3CCCO3)C[C@H]21	ZINC001084783540	917121271	/nfs/dbraw/zinc/12/12/71/917121271.db2.gz	WQVPHTHQCKOTOZ-ZHALLVOQSA-N	1	0	369.465	1.809	20	30		FDEDRO
C[NH+](C)CCN(CCc1ccccc1)C(=O)NC1CCN(CC#N)CC1	ZINC000730674187	917160595	/nfs/dbraw/zinc/16/05/95/917160595.db2.gz	HKKMLZWQJAZMCQ-UHFFFAOYSA-N	1	0	357.502	1.790	20	30		FDEDRO
CC#CCCCC(=O)NC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCO1	ZINC001065210498	917353836	/nfs/dbraw/zinc/35/38/36/917353836.db2.gz	FCCPCCQTRPLHAH-OKZBNKHCSA-N	1	0	363.502	1.254	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(CNC(N)=O)cc3)[C@@H]2C1	ZINC001084822226	917423588	/nfs/dbraw/zinc/42/35/88/917423588.db2.gz	OPKURVURMSUBSW-QZTJIDSGSA-N	1	0	356.470	1.967	20	30		FDEDRO
C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(Cc4cc(F)ccc4C#N)C[C@H]32)C1	ZINC001084830279	917505874	/nfs/dbraw/zinc/50/58/74/917505874.db2.gz	QFUPUYZDIWGBNJ-JTDSTZFVSA-N	1	0	356.445	1.682	20	30		FDEDRO
C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(CC#Cc4ccc(F)cc4)C[C@H]32)C1	ZINC001084830387	917506681	/nfs/dbraw/zinc/50/66/81/917506681.db2.gz	UIHKVPZOCJSAOZ-QWFCFKBJSA-N	1	0	355.457	1.662	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4c[nH]c(C(N)=O)c4)[C@@H]3C2)cc1	ZINC001084834053	917536317	/nfs/dbraw/zinc/53/63/17/917536317.db2.gz	IHQPJVKCKOGZFV-CRAIPNDOSA-N	1	0	363.421	1.332	20	30		FDEDRO
CCN(CC)C(=O)CN1CCC[N@H+](Cc2ccc(OCC#N)cc2)CC1	ZINC000731211553	917858170	/nfs/dbraw/zinc/85/81/70/917858170.db2.gz	NSBREUPSOXMUPZ-UHFFFAOYSA-N	1	0	358.486	1.965	20	30		FDEDRO
C#CCNC(=O)COC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C	ZINC000731252634	917919307	/nfs/dbraw/zinc/91/93/07/917919307.db2.gz	KOWAUKUJJYUZEL-MRXNPFEDSA-N	1	0	358.438	1.846	20	30		FDEDRO
CON=Cc1ccc(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1	ZINC000731481281	918155658	/nfs/dbraw/zinc/15/56/58/918155658.db2.gz	RSAGGBIPEAYPCE-UHFFFAOYSA-N	1	0	360.458	1.339	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cn(C)nc4C)C[C@@H]32)C1=O	ZINC001084906993	918173683	/nfs/dbraw/zinc/17/36/83/918173683.db2.gz	PTDLUOJOBXZIEQ-JQHSSLGASA-N	1	0	371.485	1.052	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)CCc4nnc[nH]4)C[C@@H]32)cc1	ZINC001084915377	918284442	/nfs/dbraw/zinc/28/44/42/918284442.db2.gz	WLXQEHGYLFFVFJ-MSOLQXFVSA-N	1	0	364.453	1.732	20	30		FDEDRO
Cn1nccc1CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]21	ZINC001084925682	918360449	/nfs/dbraw/zinc/36/04/49/918360449.db2.gz	RQWSVEDAAOVHST-KDOFPFPSSA-N	1	0	352.442	1.399	20	30		FDEDRO
Cn1cc(CC[N@@H+]2CC[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]32)cn1	ZINC001084921753	918363828	/nfs/dbraw/zinc/36/38/28/918363828.db2.gz	SAIXSWMCIWTPCQ-QAPCUYQASA-N	1	0	352.442	1.399	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2CC[N@H+](C[C@H]3CCCS(=O)(=O)C3)[C@H]2C1	ZINC001084937809	918580041	/nfs/dbraw/zinc/58/00/41/918580041.db2.gz	DVARPGIPXNEHDQ-KURKYZTESA-N	1	0	364.511	1.147	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)CO[C@H]3CCOC3)C[C@@H]21	ZINC001084938923	918597060	/nfs/dbraw/zinc/59/70/60/918597060.db2.gz	LAZGRLDEHDZDRS-UXPWSPDFSA-N	1	0	369.465	1.787	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(OCC(N)=O)c3)C[C@@H]21	ZINC001084953550	918739865	/nfs/dbraw/zinc/73/98/65/918739865.db2.gz	TYWYDEPGRPCTAR-QAPCUYQASA-N	1	0	355.438	1.110	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCNC3=O)C[C@@H]21	ZINC001084956325	918797333	/nfs/dbraw/zinc/79/73/33/918797333.db2.gz	HARZRFJFXXKTIV-MDZRGWNJSA-N	1	0	366.465	1.507	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCO[C@H]3c3nccn3C)C[C@@H]21	ZINC001084961634	918866598	/nfs/dbraw/zinc/86/65/98/918866598.db2.gz	RPUPAKNSVYTHTK-ZJPYXAASSA-N	1	0	356.470	1.444	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C[C@@H]21	ZINC001084963562	918892955	/nfs/dbraw/zinc/89/29/55/918892955.db2.gz	BTFPSRRVHDKZGX-PBHICJAKSA-N	1	0	353.422	1.577	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)c4cnc[nH]c4=O)C[C@@H]32)c1	ZINC001084967101	918963076	/nfs/dbraw/zinc/96/30/76/918963076.db2.gz	JQYCZYSOVZGZQV-AEFFLSMTSA-N	1	0	363.421	1.790	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C[C@@H]21	ZINC001084971437	918969276	/nfs/dbraw/zinc/96/92/76/918969276.db2.gz	GPCNOSXKBPAWGX-BARDWOONSA-N	1	0	362.392	1.832	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4[nH]c(C)cc4C)C[C@@H]32)C1=O	ZINC001084972757	918983963	/nfs/dbraw/zinc/98/39/63/918983963.db2.gz	ZIJAQYISAHVNQW-BZSNNMDCSA-N	1	0	370.497	1.955	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3c(C)nc4ccnn4c3C)C[C@@H]21	ZINC001084976198	919010890	/nfs/dbraw/zinc/01/08/90/919010890.db2.gz	UNHIEBMMPHZTJZ-SJORKVTESA-N	1	0	351.454	1.906	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(OCC(N)=O)cc3)C[C@@H]21	ZINC001084984681	919175920	/nfs/dbraw/zinc/17/59/20/919175920.db2.gz	NCWYYQPDNJGJHV-QAPCUYQASA-N	1	0	357.454	1.663	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cncc(-n4ccnn4)c3)C[C@@H]21	ZINC001084997793	919441855	/nfs/dbraw/zinc/44/18/55/919441855.db2.gz	ZXCWQCUEOCPZJM-QAPCUYQASA-N	1	0	352.442	1.775	20	30		FDEDRO
N#Cc1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CCNC4=O)C[C@@H]32)ccc1F	ZINC001085005183	919503701	/nfs/dbraw/zinc/50/37/01/919503701.db2.gz	KNQXICPQIBEIFC-KYJSFNMBSA-N	1	0	370.428	1.256	20	30		FDEDRO
CN1C(=O)CC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@H]2C1	ZINC001085014829	919667013	/nfs/dbraw/zinc/66/70/13/919667013.db2.gz	GUDMUZFWHBSKHE-QRVBRYPASA-N	1	0	366.465	1.602	20	30		FDEDRO
C[C@@]1(C(=O)N2CC[C@H]3CC[N@H+](CC#Cc4ccccc4)[C@H]3C2)CCC(=O)N1	ZINC001085025408	919807943	/nfs/dbraw/zinc/80/79/43/919807943.db2.gz	YOYQSTOYUYZSIH-DXIQSLLYSA-N	1	0	365.477	1.630	20	30		FDEDRO
C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000732810671	920159092	/nfs/dbraw/zinc/15/90/92/920159092.db2.gz	NXRVWCQIAPMCMP-UKRRQHHQSA-N	1	0	371.359	1.393	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn(C[C@H]4CCOC4)nn3)C[C@@H]21	ZINC001085065383	920364157	/nfs/dbraw/zinc/36/41/57/920364157.db2.gz	IIHDCCNQSUXQCY-NUJGCVRESA-N	1	0	359.474	1.427	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4nocc4C)C[C@@H]32)C1=O	ZINC001085069679	920439366	/nfs/dbraw/zinc/43/93/66/920439366.db2.gz	BSGPVPAAGDBAHB-XHSDSOJGSA-N	1	0	358.442	1.306	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(Cn4cccn4)on3)C[C@@H]21	ZINC001085071114	920467861	/nfs/dbraw/zinc/46/78/61/920467861.db2.gz	PNRLPPSYAHVJSN-QAPCUYQASA-N	1	0	353.426	1.479	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C(=O)NC)n3)C[C@@H]21	ZINC001085084853	920630366	/nfs/dbraw/zinc/63/03/66/920630366.db2.gz	HYAMRQRPFLZSIX-QAPCUYQASA-N	1	0	356.470	1.944	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](C[NH+](C)C)C(C)C	ZINC000733168010	920717958	/nfs/dbraw/zinc/71/79/58/920717958.db2.gz	ZKROOWQMMJBNSE-QGZVFWFLSA-N	1	0	356.474	1.853	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(CNC(N)=O)cc3)C[C@@H]21	ZINC001085090244	920741497	/nfs/dbraw/zinc/74/14/97/920741497.db2.gz	OLJODNICTBIVOU-AEFFLSMTSA-N	1	0	354.454	1.415	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc4c(c3)OCCO4)C[C@@H]21	ZINC001085087876	920752402	/nfs/dbraw/zinc/75/24/02/920752402.db2.gz	CSXIBPMTABBXEM-MSOLQXFVSA-N	1	0	354.450	1.946	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN(C(=O)CCC)C3)C[C@@H]21	ZINC001085099706	920905735	/nfs/dbraw/zinc/90/57/35/920905735.db2.gz	HHJXNRIYQHRJQX-QYZOEREBSA-N	1	0	359.514	1.971	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(Cc4ccon4)[C@H]3C2)CC1	ZINC001085100638	920916267	/nfs/dbraw/zinc/91/62/67/920916267.db2.gz	RVAYCBUYLUINHN-APWZRJJASA-N	1	0	356.470	1.443	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc3n(n2)CCC3)[nH]1	ZINC001085172318	921984030	/nfs/dbraw/zinc/98/40/30/921984030.db2.gz	VIUSLQPJOKLGRA-IAGOWNOFSA-N	1	0	352.442	1.860	20	30		FDEDRO
C[C@@H]1CCCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(C#N)c2)C1	ZINC001085174890	921995039	/nfs/dbraw/zinc/99/50/39/921995039.db2.gz	YUIFUZSNRDXRPQ-ZTFGCOKTSA-N	1	0	371.485	1.775	20	30		FDEDRO
CC(=O)N1CC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)s2)C1	ZINC001085182859	922046046	/nfs/dbraw/zinc/04/60/46/922046046.db2.gz	VUBOADLRCCATIV-IAGOWNOFSA-N	1	0	360.483	1.615	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cc1	ZINC000282566534	922177123	/nfs/dbraw/zinc/17/71/23/922177123.db2.gz	COIJOYYUROWPBN-UHFFFAOYSA-N	1	0	373.501	1.750	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@](C)(CNc3cncc(C#N)n3)C2)CC[N@@H+]1C	ZINC001065504151	922337014	/nfs/dbraw/zinc/33/70/14/922337014.db2.gz	OIVNDASJOXOXQZ-FRQCXROJSA-N	1	0	356.474	1.729	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C[NH+](CC)CC)CC1	ZINC001066193928	922580013	/nfs/dbraw/zinc/58/00/13/922580013.db2.gz	LQVFMSQGOFFVQZ-BBWFWOEESA-N	1	0	351.491	1.417	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CCC[NH+](C)C)CC1	ZINC001066217503	922610877	/nfs/dbraw/zinc/61/08/77/922610877.db2.gz	NECZBKIIJUIANW-KURKYZTESA-N	1	0	365.518	1.807	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2ccc(C#N)nc2)CC[N@@H+]1C	ZINC001066203551	922625130	/nfs/dbraw/zinc/62/51/30/922625130.db2.gz	SXGPHHAADFJOJI-AXUOBQJMSA-N	1	0	353.470	1.863	20	30		FDEDRO
CCN1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)CC1=O	ZINC001085216431	922848665	/nfs/dbraw/zinc/84/86/65/922848665.db2.gz	PNIOZPYUJPXWFO-IPMKNSEASA-N	1	0	368.481	1.944	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC(=O)NC1=O	ZINC001085225318	922915926	/nfs/dbraw/zinc/91/59/26/922915926.db2.gz	QPQVMOGMXABONF-KFWWJZLASA-N	1	0	358.442	1.110	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(C)oc1C	ZINC001085230044	922984477	/nfs/dbraw/zinc/98/44/77/922984477.db2.gz	XRYMTYFQQUCWHA-LMMKCTJWSA-N	1	0	358.486	1.906	20	30		FDEDRO
C[NH+](C)CCOC1CCN(C(=O)NCCNc2ccc(C#N)cn2)CC1	ZINC000734268342	923136699	/nfs/dbraw/zinc/13/66/99/923136699.db2.gz	NBJCDONOYSEYLK-UHFFFAOYSA-N	1	0	360.462	1.117	20	30		FDEDRO
CN1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)CC1=O	ZINC001085247180	923139951	/nfs/dbraw/zinc/13/99/51/923139951.db2.gz	AEXICYYBDBCRKC-KFKAGJAMSA-N	1	0	368.481	1.944	20	30		FDEDRO
C[NH+](C)CCOC1CCN(C(=O)NCCNc2ncccc2C#N)CC1	ZINC000734271935	923145100	/nfs/dbraw/zinc/14/51/00/923145100.db2.gz	NNDKZTQQTQDQTF-UHFFFAOYSA-N	1	0	360.462	1.117	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC1=O	ZINC001085248059	923151169	/nfs/dbraw/zinc/15/11/69/923151169.db2.gz	PRMWIJNJVJDXGO-ZACQAIPSSA-N	1	0	357.454	1.771	20	30		FDEDRO
CCN1CCOC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001085252099	923206840	/nfs/dbraw/zinc/20/68/40/923206840.db2.gz	VSBVZLVTYDNMAC-VAMGGRTRSA-N	1	0	370.497	1.796	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@@H+](CCO)CCC[C@H](C)O)CC1	ZINC001098368182	923289341	/nfs/dbraw/zinc/28/93/41/923289341.db2.gz	GURHJTFIAAPTSQ-UHOSZYNNSA-N	1	0	368.518	1.414	20	30		FDEDRO
Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)ncc1=O	ZINC001085279312	923459510	/nfs/dbraw/zinc/45/95/10/923459510.db2.gz	DASKGDGQXQZEFG-IAGOWNOFSA-N	1	0	365.437	1.483	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@H](OC)CN1C(C)=O	ZINC001085286776	923532367	/nfs/dbraw/zinc/53/23/67/923532367.db2.gz	ZTZMEWQISPKYPU-ZJIFWQFVSA-N	1	0	357.882	1.392	20	30		FDEDRO
C=CC[C@@H](NC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccncc1	ZINC000734667246	923602781	/nfs/dbraw/zinc/60/27/81/923602781.db2.gz	WIBYFMQZEGZMOL-QZTJIDSGSA-N	1	0	373.501	1.941	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](C)C2CN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC001006241277	923681505	/nfs/dbraw/zinc/68/15/05/923681505.db2.gz	PZZXRMKZSVNHTI-MDASCCDHSA-N	1	0	357.498	1.341	20	30		FDEDRO
Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)c(F)c2)[nH]c1=O	ZINC001085320921	923852252	/nfs/dbraw/zinc/85/22/52/923852252.db2.gz	XAQBEKCNAIGYAB-HZPDHXFCSA-N	1	0	371.416	1.967	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)cc1	ZINC001085335212	923948267	/nfs/dbraw/zinc/94/82/67/923948267.db2.gz	GVBSRKKKSJFLDW-FCGDIQPGSA-N	1	0	368.481	1.977	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCn2cccn2)nn1	ZINC001085358630	924171409	/nfs/dbraw/zinc/17/14/09/924171409.db2.gz	KVZLTWGDSFAZJN-HZPDHXFCSA-N	1	0	357.462	1.382	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(C)n(C)n2)nn1	ZINC001085358813	924173070	/nfs/dbraw/zinc/17/30/70/924173070.db2.gz	UTEBZRUJCZEVOB-IAGOWNOFSA-N	1	0	371.489	1.727	20	30		FDEDRO
C[C@@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)[C@@H]1C[N@H+](C)CCN1C	ZINC000826791948	924308198	/nfs/dbraw/zinc/30/81/98/924308198.db2.gz	YKARQUSZAPBWOI-DYVFJYSZSA-N	1	0	353.426	1.577	20	30		FDEDRO
C[NH+](C)CC1(O)CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000826779165	924325228	/nfs/dbraw/zinc/32/52/28/924325228.db2.gz	DKSRBPDGRKDXMI-SFHVURJKSA-N	1	0	356.470	1.442	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1	ZINC001066252161	924479223	/nfs/dbraw/zinc/47/92/23/924479223.db2.gz	SPHCSHNSPRDMGW-BBWFWOEESA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccc(C(=O)NC)n1	ZINC001085409056	924525057	/nfs/dbraw/zinc/52/50/57/924525057.db2.gz	FKSVGICLXIZXET-CHWSQXEVSA-N	1	0	350.850	1.824	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CC1	ZINC000735937744	924684151	/nfs/dbraw/zinc/68/41/51/924684151.db2.gz	NKDFEASBLFFZAU-CYBMUJFWSA-N	1	0	357.410	1.001	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1	ZINC000735938290	924685335	/nfs/dbraw/zinc/68/53/35/924685335.db2.gz	WRWVILYMDQFPRX-ZDUSSCGKSA-N	1	0	359.382	1.810	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1	ZINC000735938288	924685776	/nfs/dbraw/zinc/68/57/76/924685776.db2.gz	WRWVILYMDQFPRX-CYBMUJFWSA-N	1	0	359.382	1.810	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)c2c(C)noc2C)[C@@H](n2ccnn2)C1	ZINC001129321079	925046614	/nfs/dbraw/zinc/04/66/14/925046614.db2.gz	FXNLGXHIHZNXAP-BBWFWOEESA-N	1	0	370.457	1.442	20	30		FDEDRO
C=CCN1C[C@@H](NC(=O)[C@H](CC)c2c(C)noc2C)[C@@H](n2ccnn2)C1	ZINC001129321613	925096819	/nfs/dbraw/zinc/09/68/19/925096819.db2.gz	NAFGXCABSPJUGF-OAGGEKHMSA-N	1	0	358.446	1.604	20	30		FDEDRO
C=CCn1nnn(CN2CCC(CC[NH+]3CCOCC3)CC2)c1=S	ZINC000738112163	925106579	/nfs/dbraw/zinc/10/65/79/925106579.db2.gz	UIGMQKRAEAXJDZ-UHFFFAOYSA-N	1	0	352.508	1.387	20	30		FDEDRO
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC(C[NH+]2CCOCC2)CC1	ZINC000739912483	925321863	/nfs/dbraw/zinc/32/18/63/925321863.db2.gz	LNUHHJJOVUCDAZ-LJQANCHMSA-N	1	0	357.454	1.817	20	30		FDEDRO
N#CCOc1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1	ZINC000740512303	925404791	/nfs/dbraw/zinc/40/47/91/925404791.db2.gz	GMUNBVUXOGUPIQ-HNNXBMFYSA-N	1	0	356.426	1.472	20	30		FDEDRO
N#CCn1c(=O)c2ccccc2nc1CN1CCC[C@@H]([NH+]2CCCC2)C1	ZINC000740878205	925481656	/nfs/dbraw/zinc/48/16/56/925481656.db2.gz	TXPQTWLJHQJONK-MRXNPFEDSA-N	1	0	351.454	1.980	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCC[N@H+]2CCC[C@@H]2C)c1	ZINC000742239444	925981372	/nfs/dbraw/zinc/98/13/72/925981372.db2.gz	MWULAUODGXQAGQ-AWEZNQCLSA-N	1	0	351.472	1.365	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1	ZINC000742391261	926038662	/nfs/dbraw/zinc/03/86/62/926038662.db2.gz	FMCIMKFDLZNMNL-LBTNJELSSA-N	1	0	353.426	1.995	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)CC1	ZINC000743488696	926377374	/nfs/dbraw/zinc/37/73/74/926377374.db2.gz	QFTNLWRAYNJIMS-CALCHBBNSA-N	1	0	370.497	1.913	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1	ZINC000743492646	926379122	/nfs/dbraw/zinc/37/91/22/926379122.db2.gz	YKAKYLGRENJEKS-BHYGNILZSA-N	1	0	359.470	1.154	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CNC(=O)c2cc3ccccc3[nH]2)CC1	ZINC000743494437	926379733	/nfs/dbraw/zinc/37/97/33/926379733.db2.gz	LYJOIXMFEJSRJU-UHFFFAOYSA-N	1	0	352.438	1.502	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@H](C)Oc2ccccc2C#N)CC1	ZINC000744690225	926811019	/nfs/dbraw/zinc/81/10/19/926811019.db2.gz	JGIZUDWMPIVTFM-HNNXBMFYSA-N	1	0	373.453	1.858	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)c2nnc(CC)[nH]2)C1	ZINC001086369633	926866293	/nfs/dbraw/zinc/86/62/93/926866293.db2.gz	RYZVSWONQDDSCY-QCODTGAPSA-N	1	0	361.490	1.894	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)CC1	ZINC001066540323	927387278	/nfs/dbraw/zinc/38/72/78/927387278.db2.gz	KWJJDELMTASKRV-AOIWGVFYSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)CC1	ZINC001066540853	927401404	/nfs/dbraw/zinc/40/14/04/927401404.db2.gz	XJSSLANKKZDTIX-ZACQAIPSSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2C(F)F)C1	ZINC001086482998	927538186	/nfs/dbraw/zinc/53/81/86/927538186.db2.gz	GTCNBHGTALTSFV-NGFQHRJXSA-N	1	0	368.428	1.933	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)C1	ZINC001086483356	927539412	/nfs/dbraw/zinc/53/94/12/927539412.db2.gz	YAVSAFKFKUHSJE-TWPTVVAISA-N	1	0	361.486	1.215	20	30		FDEDRO
C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1	ZINC000746420645	927966152	/nfs/dbraw/zinc/96/61/52/927966152.db2.gz	ASMQQEQTMVUCPZ-QGZVFWFLSA-N	1	0	366.425	1.078	20	30		FDEDRO
C[C@H]1C(NNc2ccc(-n3cccn3)n[nH+]2)=CC(=O)N1C(=O)OC(C)(C)C	ZINC000766451340	928046464	/nfs/dbraw/zinc/04/64/64/928046464.db2.gz	VLXBEDLEQDDDMS-NSHDSACASA-N	1	0	371.401	1.986	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1Cn1c(C)cc(C=Nn2c(=O)cn[nH]c2=S)c1C	ZINC000766473370	928072331	/nfs/dbraw/zinc/07/23/31/928072331.db2.gz	FHVSAPFXCTYCJI-OAHLLOKOSA-N	1	0	360.487	1.712	20	30		FDEDRO
CN(c1cc(F)c(C#N)cc1-c1ccnc(Cl)n1)S(=O)(=O)CC[NH3+]	ZINC001156236356	928189604	/nfs/dbraw/zinc/18/96/04/928189604.db2.gz	GPNBVZAZNOXEPE-UHFFFAOYSA-N	1	0	369.809	1.532	20	30		FDEDRO
CC[C@H](CC#N)[NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC001169181667	928342261	/nfs/dbraw/zinc/34/22/61/928342261.db2.gz	SMDSUWLGHWCHFN-UONOGXRCSA-N	1	0	360.462	1.274	20	30		FDEDRO
CCCC(=O)NC[C@H]1CCCN(Cn2cc3c(c(C#N)c2=O)CCC3)C1	ZINC000766620122	928342700	/nfs/dbraw/zinc/34/27/00/928342700.db2.gz	PWRUGIIFCFCSSZ-OAHLLOKOSA-N	1	0	356.470	1.794	20	30		FDEDRO
C#Cc1cccc(NC(=O)NC(=O)C[NH2+][C@H](CO)c2ccccc2C)c1	ZINC001169206820	928343379	/nfs/dbraw/zinc/34/33/79/928343379.db2.gz	IKTLEJZDWPGPKO-GOSISDBHSA-N	1	0	351.406	1.948	20	30		FDEDRO
COc1ccc(C(=NO)Nc2cncc([C@@H]3C[NH+]4CCC3CC4)n2)nc1	ZINC001169600172	928773581	/nfs/dbraw/zinc/77/35/81/928773581.db2.gz	NRUXJINMDMYKKC-CQSZACIVSA-N	1	0	354.414	1.937	20	30		FDEDRO
COc1ccc(C(=NO)Nc2cncc(OCC[NH+]3CCCC3)n2)nc1	ZINC001169600203	928773747	/nfs/dbraw/zinc/77/37/47/928773747.db2.gz	PSIJGASJIWMTCR-UHFFFAOYSA-N	1	0	358.402	1.603	20	30		FDEDRO
CC(=O)N1CCC[C@H]([N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)C1	ZINC001169614517	928814813	/nfs/dbraw/zinc/81/48/13/928814813.db2.gz	GNZPNSAQOMZNDX-FPOVZHCZSA-N	1	0	366.465	1.998	20	30		FDEDRO
CCC[C@H]1CN(C(=O)NCCNc2ncccc2C#N)CC[N@@H+]1CCOC	ZINC000766776022	928827487	/nfs/dbraw/zinc/82/74/87/928827487.db2.gz	LCTVPWZLDNCJKJ-KRWDZBQOSA-N	1	0	374.489	1.507	20	30		FDEDRO
COC(=O)[C@@H](C[NH3+])Cc1ccc(Nc2c(C#N)cnn2C(=O)OC)cc1	ZINC001169968790	928970148	/nfs/dbraw/zinc/97/01/48/928970148.db2.gz	HWIXFWJBOWMCMD-GFCCVEGCSA-N	1	0	357.370	1.403	20	30		FDEDRO
COC(=O)n1ncc(C#N)c1Nc1ncnc2sc3c(c21)CC[NH2+]C3	ZINC001169962217	928980546	/nfs/dbraw/zinc/98/05/46/928980546.db2.gz	LSAKKFWKLVLGBZ-UHFFFAOYSA-N	1	0	355.383	1.763	20	30		FDEDRO
COC(=O)n1ncc(C#N)c1Nc1cncc([C@H]2C[NH+]3CCC2CC3)n1	ZINC001169965104	928981348	/nfs/dbraw/zinc/98/13/48/928981348.db2.gz	LHJBHTKITGZDKG-ZDUSSCGKSA-N	1	0	353.386	1.712	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C)cc2=O)[C@@H](n2ccnn2)C1	ZINC001129366692	929270987	/nfs/dbraw/zinc/27/09/87/929270987.db2.gz	YDAROYBAHDRYNO-OIISXLGYSA-N	1	0	370.457	1.285	20	30		FDEDRO
CC(=NNc1nc2c(cnn2C)c(=O)[nH]1)c1ccc(OCC[NH+](C)C)cc1	ZINC000769818313	929663977	/nfs/dbraw/zinc/66/39/77/929663977.db2.gz	HJXDYVMPKGFZDJ-UHFFFAOYSA-N	1	0	369.429	1.845	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1ncn(C)c1=O)C2	ZINC001109558084	929754722	/nfs/dbraw/zinc/75/47/22/929754722.db2.gz	LNXVHWDXMZVZSE-IKGGRYGDSA-N	1	0	361.490	1.440	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000770275512	929940902	/nfs/dbraw/zinc/94/09/02/929940902.db2.gz	XDFMXDYXETXKJY-QGZVFWFLSA-N	1	0	370.453	1.565	20	30		FDEDRO
CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCC(C)C	ZINC001109625004	929951399	/nfs/dbraw/zinc/95/13/99/929951399.db2.gz	LWNMSYCRZNJNAW-YRXWBPOGSA-N	1	0	350.503	1.935	20	30		FDEDRO
COC(=O)C[C@@]1([NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)CCCOC1	ZINC000770707711	930219369	/nfs/dbraw/zinc/21/93/69/930219369.db2.gz	MNBVSFAEVQDWHK-KRWDZBQOSA-N	1	0	365.817	1.852	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000770790336	930261720	/nfs/dbraw/zinc/26/17/20/930261720.db2.gz	DAUNOPTWBAKBPN-CVEARBPZSA-N	1	0	368.474	1.899	20	30		FDEDRO
C=CCNc1ncc(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)s1	ZINC000771027370	930392648	/nfs/dbraw/zinc/39/26/48/930392648.db2.gz	ZYMPDLLCDWVKTP-UHFFFAOYSA-N	1	0	363.531	1.841	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn3cc(OC)ccc13)C2	ZINC001109849402	930590154	/nfs/dbraw/zinc/59/01/54/930590154.db2.gz	QIQHPJHQSYZWLE-LJHODMEESA-N	1	0	370.453	1.881	20	30		FDEDRO
CN1CC[NH+](CCC(C)(C)NC(=O)NCCNc2ccc(C#N)cn2)CC1	ZINC000771292670	930597196	/nfs/dbraw/zinc/59/71/96/930597196.db2.gz	UMEFHNRGYSNHPL-UHFFFAOYSA-N	1	0	373.505	1.080	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3ccnc3)cn1)C2	ZINC001109970116	930915212	/nfs/dbraw/zinc/91/52/12/930915212.db2.gz	OPCMMUNCZBIROV-MNEFBYGVSA-N	1	0	367.453	1.805	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2	ZINC001110002632	931046004	/nfs/dbraw/zinc/04/60/04/931046004.db2.gz	OELOBCXTWGYABN-NCOADZHNSA-N	1	0	350.507	1.131	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)NC(=O)Nc2ccc(OC)cc2)CC1	ZINC000772123679	931087388	/nfs/dbraw/zinc/08/73/88/931087388.db2.gz	VJPRDWSDSKXLID-UHFFFAOYSA-N	1	0	373.409	1.232	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)Cc1ccco1)C2	ZINC001112544156	931415683	/nfs/dbraw/zinc/41/56/83/931415683.db2.gz	QXBKTSLLKHQCHF-FIKGOQFSSA-N	1	0	371.481	1.426	20	30		FDEDRO
CC1CC[NH+](CCCNC(=O)C(=O)NCc2cc(C#N)ccc2F)CC1	ZINC000785519545	931432035	/nfs/dbraw/zinc/43/20/35/931432035.db2.gz	GKYDDMLQGLJSIR-UHFFFAOYSA-N	1	0	360.433	1.552	20	30		FDEDRO
Cc1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)cs1	ZINC001112546029	931433855	/nfs/dbraw/zinc/43/38/55/931433855.db2.gz	PPAYAJABZFMGKO-YJBOKZPZSA-N	1	0	360.483	1.528	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1[nH]ncc1Br)C2	ZINC001112547015	931442376	/nfs/dbraw/zinc/44/23/76/931442376.db2.gz	QFWXPAWJAMFKGW-NHYWBVRUSA-N	1	0	351.248	1.637	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)C1CCOCC1)C2	ZINC001112547708	931448778	/nfs/dbraw/zinc/44/87/78/931448778.db2.gz	LANBOSVXFHVBQA-PXNSSMCTSA-N	1	0	363.502	1.324	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)NCc1ccccc1C[NH+](CC)CC)[C@@H]1CCCO1	ZINC000785574638	931515583	/nfs/dbraw/zinc/51/55/83/931515583.db2.gz	PXPXIAJCPNUNRP-MOPGFXCFSA-N	1	0	371.481	1.442	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)N1CC[C@@H](C)C1)C2	ZINC001112559978	931566740	/nfs/dbraw/zinc/56/67/40/931566740.db2.gz	YXHDOEYGQZUXDY-UWVAXJGDSA-N	1	0	363.502	1.276	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)c1cscn1)C2	ZINC001112559398	931583794	/nfs/dbraw/zinc/58/37/94/931583794.db2.gz	VLUZWKBKPMPJAJ-KSSFIOAISA-N	1	0	362.499	1.667	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCCN1C(N)=O)C2	ZINC001112561134	931586972	/nfs/dbraw/zinc/58/69/72/931586972.db2.gz	IPCKSXANKLYQDA-DAYGRLMNSA-N	1	0	368.909	1.890	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1ccccc1)C2	ZINC001112568847	931633327	/nfs/dbraw/zinc/63/33/27/931633327.db2.gz	PKMXYVUJFWYQGV-RXVVDRJESA-N	1	0	368.481	1.477	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1nc(C)ccc1=O)C2	ZINC001112566812	931636293	/nfs/dbraw/zinc/63/62/93/931636293.db2.gz	BCJUPOOLHSOLQF-YJBOKZPZSA-N	1	0	364.877	1.523	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](CC)C(N)=O)C1	ZINC001112569694	931662511	/nfs/dbraw/zinc/66/25/11/931662511.db2.gz	LAILFMXOSUXROR-IPJJNNNSSA-N	1	0	367.493	1.693	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnn3cc[nH]c13)C2	ZINC001112569608	931662660	/nfs/dbraw/zinc/66/26/60/931662660.db2.gz	GJACINYTRTZZJD-KXBFYZLASA-N	1	0	357.458	1.697	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)c1ccccc1C)C2	ZINC001112575215	931700489	/nfs/dbraw/zinc/70/04/89/931700489.db2.gz	XWAIKTQSWQUFKQ-UWJYYQICSA-N	1	0	353.466	1.576	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CCC=CCC1)C2	ZINC001112579662	931717039	/nfs/dbraw/zinc/71/70/39/931717039.db2.gz	AZLONLRNAYSWNJ-PXNSSMCTSA-N	1	0	358.486	1.591	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc(C(=O)NC)c1)C2	ZINC001112582364	931748894	/nfs/dbraw/zinc/74/88/94/931748894.db2.gz	TYEUICOBXKKZOS-RXVVDRJESA-N	1	0	353.466	1.901	20	30		FDEDRO
CC[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC#Cc1ccccc1)C2)C(N)=O	ZINC001112583294	931753449	/nfs/dbraw/zinc/75/34/49/931753449.db2.gz	MLHHULNGMFMGLC-JQVVWYNYSA-N	1	0	367.493	1.910	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccnc1OCCOC)C2	ZINC001112584769	931786576	/nfs/dbraw/zinc/78/65/76/931786576.db2.gz	JMZQACGVDNLTQX-UWJYYQICSA-N	1	0	371.481	1.962	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cnsn2)C1	ZINC001112588817	931798246	/nfs/dbraw/zinc/79/82/46/931798246.db2.gz	WJIFYSHMUCMVPD-YOEHRIQHSA-N	1	0	350.488	1.849	20	30		FDEDRO
CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N	ZINC000786812412	932048205	/nfs/dbraw/zinc/04/82/05/932048205.db2.gz	HOMJDMBKRHFQAY-LSDHHAIUSA-N	1	0	367.494	1.729	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCCCC)C[C@@H]2n2ccnn2)nc1	ZINC001129393424	932054899	/nfs/dbraw/zinc/05/48/99/932054899.db2.gz	KRTYPIWIPDHENJ-MOPGFXCFSA-N	1	0	366.469	1.890	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C)[C@@H]1CCCO1	ZINC000787160511	932204356	/nfs/dbraw/zinc/20/43/56/932204356.db2.gz	XNICUDLBARIJOF-OALUTQOASA-N	1	0	371.481	1.440	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1-n1cnnn1)C2	ZINC001110084863	932524066	/nfs/dbraw/zinc/52/40/66/932524066.db2.gz	SWOQZZZLXWHRNB-HFTRVMKXSA-N	1	0	368.441	1.200	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)NCc2ccc(OC)c(C#N)c2)CC1	ZINC000746727228	932539114	/nfs/dbraw/zinc/53/91/14/932539114.db2.gz	AJQRAUFAKYMGTF-UHFFFAOYSA-N	1	0	360.458	1.867	20	30		FDEDRO
OC[C@H](N[NH+]=Cc1c(N2CCOCC2)nc2ccccn21)c1ccccc1	ZINC000788456774	932703004	/nfs/dbraw/zinc/70/30/04/932703004.db2.gz	DLOKIJSOMJZTJU-KRWDZBQOSA-N	1	0	365.437	1.828	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)cc1	ZINC000788474338	932709768	/nfs/dbraw/zinc/70/97/68/932709768.db2.gz	YDQOLAWOWSENIZ-AEFFLSMTSA-N	1	0	356.426	1.467	20	30		FDEDRO
C#CCn1ccc(CN(CC)S(=O)(=O)c2ccc(C[NH+](C)C)cc2)n1	ZINC000788696307	932795729	/nfs/dbraw/zinc/79/57/29/932795729.db2.gz	OUEPNHJBOCBBNA-UHFFFAOYSA-N	1	0	360.483	1.789	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)CN(C[N@@H+]3CC[C@@]4(C3)CCCOC4)C2=O)cc1	ZINC000789544551	933081678	/nfs/dbraw/zinc/08/16/78/933081678.db2.gz	HGBBFXGGYZCPFU-HXUWFJFHSA-N	1	0	368.437	1.782	20	30		FDEDRO
C=CC[C@]1(C(=O)NC[C@@](C)(O)C[NH+](C)C)CCCN1C(=O)OC(C)(C)C	ZINC000790812321	933729661	/nfs/dbraw/zinc/72/96/61/933729661.db2.gz	AXKMRXLRBXHWGW-RTBURBONSA-N	1	0	369.506	1.761	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnn3ccncc23)C1	ZINC001086592610	933815542	/nfs/dbraw/zinc/81/55/42/933815542.db2.gz	XELICAIIBFABDZ-RBUKOAKNSA-N	1	0	359.433	1.950	20	30		FDEDRO
C[NH+](C)CCCOC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O	ZINC000791908530	934208186	/nfs/dbraw/zinc/20/81/86/934208186.db2.gz	WQSIGKLHLFGVGG-HNNXBMFYSA-N	1	0	358.398	1.258	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCN(C(=O)CC)C2)C1	ZINC001086618469	938342744	/nfs/dbraw/zinc/34/27/44/938342744.db2.gz	PJXYXHRKBUTVOQ-SLFFLAALSA-N	1	0	367.493	1.852	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCCC)C[C@@H]2n2ccnn2)cn1	ZINC001129396388	938402270	/nfs/dbraw/zinc/40/22/70/938402270.db2.gz	AWFLZSDCCPEOLX-MSOLQXFVSA-N	1	0	352.442	1.500	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001129476335	938431956	/nfs/dbraw/zinc/43/19/56/938431956.db2.gz	CPWCTUWTPGERCK-MOPGFXCFSA-N	1	0	369.469	1.455	20	30		FDEDRO
C#CCNc1nc(NC[C@@](C)(O)C2CC2)[nH+]c(NC[C@@](C)(O)C2CC2)n1	ZINC000804448962	938444072	/nfs/dbraw/zinc/44/40/72/938444072.db2.gz	VOBQKLLHTADKGY-QZTJIDSGSA-N	1	0	360.462	1.063	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2C(=O)CCC2=O)C1	ZINC001086623287	938449674	/nfs/dbraw/zinc/44/96/74/938449674.db2.gz	VKZSOVXTFSQVDH-ZWKOTPCHSA-N	1	0	369.465	1.686	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@@H]1n1ccnn1	ZINC001129547929	938451455	/nfs/dbraw/zinc/45/14/55/938451455.db2.gz	STFJTOXJILQMJK-MSOLQXFVSA-N	1	0	370.457	1.313	20	30		FDEDRO
CC(C)=CC(=O)N1C[C@@H]([NH2+]CC#Cc2ccc(F)cc2)[C@@H](n2ccnn2)C1	ZINC001129541511	938455216	/nfs/dbraw/zinc/45/52/16/938455216.db2.gz	XUZOCAXZOBSVKY-MOPGFXCFSA-N	1	0	367.428	1.777	20	30		FDEDRO
CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129618999	938470848	/nfs/dbraw/zinc/47/08/48/938470848.db2.gz	ZAPMGFZBOXACIA-UHOSZYNNSA-N	1	0	367.453	1.096	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(Cl)nc2)[C@@H](n2ccnn2)C1	ZINC001129667256	938478637	/nfs/dbraw/zinc/47/86/37/938478637.db2.gz	SOVRHWCNTGFUPA-CABCVRRESA-N	1	0	360.849	1.834	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]C[C@H](O)C2CCCCC2)[C@@H](n2ccnn2)C1	ZINC001129667226	938478645	/nfs/dbraw/zinc/47/86/45/938478645.db2.gz	RSDPXINKZGAXIG-SQNIBIBYSA-N	1	0	361.490	1.527	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]([NH2+][C@H](C)c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129681224	938484013	/nfs/dbraw/zinc/48/40/13/938484013.db2.gz	LOBSLNDCAVMPBM-NXHRZFHOSA-N	1	0	355.442	1.583	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]([NH2+]Cc2cccc(F)c2)[C@@H](n2ccnn2)C1	ZINC001129680973	938484111	/nfs/dbraw/zinc/48/41/11/938484111.db2.gz	HXFHDKSZFBKHFF-SJORKVTESA-N	1	0	359.405	1.162	20	30		FDEDRO
C#CCNc1nc(N[C@@H]2CCCOCC2)[nH+]c(N[C@@H]2CCCOCC2)n1	ZINC000804596495	938490131	/nfs/dbraw/zinc/49/01/31/938490131.db2.gz	METMVBYLSWPQKQ-HUUCEWRRSA-N	1	0	360.462	1.879	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cc2cc(C)n[nH]2)C[C@@H]1n1ccnn1	ZINC001129728108	938495570	/nfs/dbraw/zinc/49/55/70/938495570.db2.gz	NCTYZLWACJSHTO-MSOLQXFVSA-N	1	0	371.489	1.640	20	30		FDEDRO
O=C(C=C1CCC1)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129728583	938495662	/nfs/dbraw/zinc/49/56/62/938495662.db2.gz	UERKIASHUUHCGH-UXHICEINSA-N	1	0	361.449	1.782	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCCO2)[C@@H](n2ccnn2)C1	ZINC001129756935	938501923	/nfs/dbraw/zinc/50/19/23/938501923.db2.gz	NPLZKSBRQVNESN-KSZLIROESA-N	1	0	359.474	1.382	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(OC)no2)C[C@@H]1n1ccnn1	ZINC001129756974	938501993	/nfs/dbraw/zinc/50/19/93/938501993.db2.gz	PFARNQZLVSJCOQ-MJBXVCDLSA-N	1	0	360.418	1.285	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cccnc2)C[C@@H]1n1ccnn1	ZINC001129741755	938504764	/nfs/dbraw/zinc/50/47/64/938504764.db2.gz	HMMGIGGCRUSNGH-NXHRZFHOSA-N	1	0	354.458	1.612	20	30		FDEDRO
Cn1cc([C@@H]2OCCC[C@H]2C(=O)NCC[NH2+]Cc2cccc(C#N)c2)cn1	ZINC001129791216	938508000	/nfs/dbraw/zinc/50/80/00/938508000.db2.gz	ZKUZMWXNLWLHFG-MOPGFXCFSA-N	1	0	367.453	1.665	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H]([NH2+]CCCCCF)[C@@H](n2ccnn2)C1	ZINC001129796029	938509252	/nfs/dbraw/zinc/50/92/52/938509252.db2.gz	YJNHOGLSTFFOPQ-HLLBOEOZSA-N	1	0	353.442	1.087	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H]([NH2+]CC2CCCCC2)[C@@H](n2ccnn2)C1	ZINC001129796043	938509545	/nfs/dbraw/zinc/50/95/45/938509545.db2.gz	YUCJMMAIYZHTGK-ZIFCJYIRSA-N	1	0	361.490	1.527	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2coc(CC)n2)C[C@@H]1n1ccnn1	ZINC001129774247	938512729	/nfs/dbraw/zinc/51/27/29/938512729.db2.gz	HOBWEYPMLZMUEP-FMKPAKJESA-N	1	0	358.446	1.839	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2=CCCCCC2)C[C@@H]1n1ccnn1	ZINC001129782001	938514904	/nfs/dbraw/zinc/51/49/04/938514904.db2.gz	ADTBJHXGGROKJE-MSOLQXFVSA-N	1	0	357.458	1.160	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H]([NH2+]Cc2cccc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129788203	938516196	/nfs/dbraw/zinc/51/61/96/938516196.db2.gz	IIJILYYSVICTBN-HBFSDRIKSA-N	1	0	369.469	1.455	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1C[C@H]1c1ccc(OC)cc1	ZINC001129849889	938526678	/nfs/dbraw/zinc/52/66/78/938526678.db2.gz	ZAXYUYILWPIXSP-ZVZYQTTQSA-N	1	0	359.470	1.585	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2C[C@H]2c2ccccc2)C[C@@H]1n1ccnn1	ZINC001129849931	938526716	/nfs/dbraw/zinc/52/67/16/938526716.db2.gz	CKWJLDSBHCKYIT-HAGHYFMRSA-N	1	0	363.465	1.837	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)N2CCCCC2=O)C1	ZINC001086625475	938529402	/nfs/dbraw/zinc/52/94/02/938529402.db2.gz	DDWFOUSXZPAGOQ-YZGWKJHDSA-N	1	0	367.493	1.995	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]CCc2cccs2)[C@@H](n2ccnn2)C1	ZINC001129834070	938533485	/nfs/dbraw/zinc/53/34/85/938533485.db2.gz	LLHNEAFHBUSCHS-SJORKVTESA-N	1	0	357.483	1.727	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3cc(C)cn3c2)C[C@@H]1n1ccnn1	ZINC001129887610	938540147	/nfs/dbraw/zinc/54/01/47/938540147.db2.gz	HZCJBBJFHWZTFM-MOPGFXCFSA-N	1	0	362.437	1.518	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc3c(o2)CCCC3)C[C@@H]1n1ccnn1	ZINC001129890220	938541146	/nfs/dbraw/zinc/54/11/46/938541146.db2.gz	CFLPZJDMPGSZCB-CVEARBPZSA-N	1	0	355.442	1.981	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CC2(C(F)(F)F)CC2)C[C@@H]1n1ccnn1	ZINC001129890180	938541168	/nfs/dbraw/zinc/54/11/68/938541168.db2.gz	AKEJQSCOXIQERL-OLZOCXBDSA-N	1	0	355.364	1.376	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCCC2CCOCC2)C[C@@H]1n1ccnn1	ZINC001129891974	938542394	/nfs/dbraw/zinc/54/23/94/938542394.db2.gz	BBOGJOHLRMJSSO-MSOLQXFVSA-N	1	0	359.474	1.240	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H]([NH2+]Cc2cnn(C)c2)[C@@H](n2ccnn2)C1	ZINC001129867807	938544196	/nfs/dbraw/zinc/54/41/96/938544196.db2.gz	XPIBSFJLJVJKGX-MSOLQXFVSA-N	1	0	369.473	1.322	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn(CC)nc2C2CC2)C[C@@H]1n1ccnn1	ZINC001129875080	938546251	/nfs/dbraw/zinc/54/62/51/938546251.db2.gz	XNIPXDIYXKRMSB-SJORKVTESA-N	1	0	369.473	1.603	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccsc2COC)C[C@@H]1n1ccnn1	ZINC001129910200	938549653	/nfs/dbraw/zinc/54/96/53/938549653.db2.gz	IAWKXAJGIDWLER-CABCVRRESA-N	1	0	361.471	1.717	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)COCC2CCCC2)C[C@@H]1n1ccnn1	ZINC001129896203	938557301	/nfs/dbraw/zinc/55/73/01/938557301.db2.gz	SJQFDNCOXCVUQZ-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2[nH]c(=O)[nH]c2C)C[C@@H]1n1ccnn1	ZINC001129900084	938559841	/nfs/dbraw/zinc/55/98/41/938559841.db2.gz	ZVGMQNJRSQOPAZ-YUTCNCBUSA-N	1	0	359.434	1.025	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2CC)C[C@@H]1n1ccnn1	ZINC001129918498	938567261	/nfs/dbraw/zinc/56/72/61/938567261.db2.gz	AQXCZRBTTFSGTC-XKQJLSEDSA-N	1	0	357.462	1.574	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2coc3cc(F)ccc32)C[C@@H]1n1ccnn1	ZINC001129918825	938567573	/nfs/dbraw/zinc/56/75/73/938567573.db2.gz	KNYKOTOQERZHRD-SJORKVTESA-N	1	0	367.384	1.842	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2c(C)n[nH]c2C)C[C@@H]1n1ccnn1	ZINC001129920834	938568077	/nfs/dbraw/zinc/56/80/77/938568077.db2.gz	BDJAWFWCGUYGNN-XKQJLSEDSA-N	1	0	371.489	1.729	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3O2)C[C@@H]1n1ccnn1	ZINC001129926997	938571430	/nfs/dbraw/zinc/57/14/30/938571430.db2.gz	KBSAPTIDAWEYPQ-AOIWGVFYSA-N	1	0	367.453	1.590	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(=O)oc2C)C[C@@H]1n1ccnn1	ZINC001129927488	938571674	/nfs/dbraw/zinc/57/16/74/938571674.db2.gz	ZKMZCKVCYCPGFT-CVEARBPZSA-N	1	0	371.441	1.470	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2ccnc(C)n2)C[C@@H]1n1ccnn1	ZINC001129942949	938571932	/nfs/dbraw/zinc/57/19/32/938571932.db2.gz	JIMGMGZXQBAYFR-MSOLQXFVSA-N	1	0	369.473	1.317	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC(C)(C)CO2)C[C@@H]1n1ccnn1	ZINC001129930772	938573388	/nfs/dbraw/zinc/57/33/88/938573388.db2.gz	TXJZITOHVNFXPY-BBWFWOEESA-N	1	0	361.490	1.791	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](OCC)C2CCCC2)C[C@@H]1n1ccnn1	ZINC001129954396	938576363	/nfs/dbraw/zinc/57/63/63/938576363.db2.gz	LKDCWZILKYJMAI-SQNIBIBYSA-N	1	0	361.490	1.791	20	30		FDEDRO
CC[C@@H](F)C(=O)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129961527	938578561	/nfs/dbraw/zinc/57/85/61/938578561.db2.gz	RCBHYGYHCHUVEP-KURKYZTESA-N	1	0	355.417	1.419	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3ccc(C)cc3[nH]2)C[C@@H]1n1ccnn1	ZINC001129947563	938581892	/nfs/dbraw/zinc/58/18/92/938581892.db2.gz	GCMCIBLEIWILBL-MOPGFXCFSA-N	1	0	362.437	1.746	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1	ZINC001129978119	938593661	/nfs/dbraw/zinc/59/36/61/938593661.db2.gz	RATSARFDHDOTRJ-NXHRZFHOSA-N	1	0	354.458	1.817	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3ccc(F)cc32)C[C@@H]1n1ccnn1	ZINC001129980197	938595375	/nfs/dbraw/zinc/59/53/75/938595375.db2.gz	DCNRHLDIKOHVHG-KURKYZTESA-N	1	0	353.401	1.122	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2nccc3ccccc32)C[C@@H]1n1ccnn1	ZINC001129980656	938595665	/nfs/dbraw/zinc/59/56/65/938595665.db2.gz	ROOOPJNUROUHDG-MSOLQXFVSA-N	1	0	360.421	1.505	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3ccc(F)cc32)C[C@@H]1n1ccnn1	ZINC001129980549	938595692	/nfs/dbraw/zinc/59/56/92/938595692.db2.gz	NEILPKGFTFYPNA-KSZLIROESA-N	1	0	355.417	1.675	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(F)c(F)c2)C[C@@H]1n1ccnn1	ZINC001129983106	938597834	/nfs/dbraw/zinc/59/78/34/938597834.db2.gz	MRRRUIBKSCIGRM-SJORKVTESA-N	1	0	359.380	1.164	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3ccccc32)C[C@@H]1n1ccnn1	ZINC001129983351	938598475	/nfs/dbraw/zinc/59/84/75/938598475.db2.gz	YMWWKHREGQZYMD-OTWHNJEPSA-N	1	0	351.454	1.926	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]([NH2+]CCCCOC)[C@@H](n3ccnn3)C2)CCC1	ZINC001129994589	938603521	/nfs/dbraw/zinc/60/35/21/938603521.db2.gz	WMRGQHAOGFHDDI-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H]([NH2+]Cc3cncn3C)[C@@H](n3ccnn3)C2)CC1	ZINC001129998936	938606517	/nfs/dbraw/zinc/60/65/17/938606517.db2.gz	AWIYFKFVHLBTCD-SJORKVTESA-N	1	0	369.473	1.300	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2cccc(F)c2)C[C@@H]1n1ccnn1	ZINC001130002744	938609267	/nfs/dbraw/zinc/60/92/67/938609267.db2.gz	PYKURJJMCIXWKR-LZQZEXGQSA-N	1	0	369.444	1.976	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(Cl)cc2C)C[C@@H]1n1ccnn1	ZINC001129990219	938612463	/nfs/dbraw/zinc/61/24/63/938612463.db2.gz	SDAVVUQSYCUKRL-SJORKVTESA-N	1	0	357.845	1.919	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCc2ccncc2)C[C@@H]1n1ccnn1	ZINC001130014915	938616196	/nfs/dbraw/zinc/61/61/96/938616196.db2.gz	GZSQEHCBEZZYKQ-NXHRZFHOSA-N	1	0	370.457	1.196	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cccc3c2OCC3)C[C@@H]1n1ccnn1	ZINC001130017604	938617950	/nfs/dbraw/zinc/61/79/50/938617950.db2.gz	PJFQHBJAWORKAF-MSOLQXFVSA-N	1	0	367.453	1.835	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n2ccnn2)C1	ZINC001130009605	938626434	/nfs/dbraw/zinc/62/64/34/938626434.db2.gz	XHLNKVWGBHVMTL-MQYQWHSLSA-N	1	0	373.379	1.163	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)COc2cccnc2)C[C@@H]1n1ccnn1	ZINC001130040636	938627006	/nfs/dbraw/zinc/62/70/06/938627006.db2.gz	DTLZWEASOMPQCN-JQHSSLGASA-N	1	0	370.457	1.448	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)OC2CCCC2)C[C@@H]1n1ccnn1	ZINC001130024421	938628496	/nfs/dbraw/zinc/62/84/96/938628496.db2.gz	VJQKMINFDHQXME-SQNIBIBYSA-N	1	0	359.474	1.381	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)no2)C[C@@H]1n1ccnn1	ZINC001130024386	938628524	/nfs/dbraw/zinc/62/85/24/938628524.db2.gz	TUOZIWBSTBCMAU-CVEARBPZSA-N	1	0	356.430	1.765	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccn(C(CC)CC)n2)C[C@@H]1n1ccnn1	ZINC001130027917	938630279	/nfs/dbraw/zinc/63/02/79/938630279.db2.gz	CIRFERUSUYNMLB-MSOLQXFVSA-N	1	0	369.473	1.514	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnc(C)nc2C(C)C)C[C@@H]1n1ccnn1	ZINC001130034087	938634628	/nfs/dbraw/zinc/63/46/28/938634628.db2.gz	JYQKMFHLFQTMQC-SJORKVTESA-N	1	0	367.457	1.179	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2nc(C)c[nH]2)C[C@@H]1n1ccnn1	ZINC001130034646	938634890	/nfs/dbraw/zinc/63/48/90/938634890.db2.gz	VRGGXZFSWBGZPK-CVEARBPZSA-N	1	0	357.462	1.711	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2ccccc2F)C[C@@H]1n1ccnn1	ZINC001130037987	938635724	/nfs/dbraw/zinc/63/57/24/938635724.db2.gz	GRAQMFYTBGHRHX-MSOLQXFVSA-N	1	0	369.444	1.760	20	30		FDEDRO
C#CCCCS(=O)(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000804983524	938635812	/nfs/dbraw/zinc/63/58/12/938635812.db2.gz	ORRUSUGDODALCA-OAHLLOKOSA-N	1	0	367.490	1.971	20	30		FDEDRO
C#CCCCS(=O)(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1	ZINC000805011577	938647861	/nfs/dbraw/zinc/64/78/61/938647861.db2.gz	LPEPJRRBBIFLSC-UHFFFAOYSA-N	1	0	350.484	1.476	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)c2ncccn2)C[C@@H]1n1ccnn1	ZINC001130049998	938648106	/nfs/dbraw/zinc/64/81/06/938648106.db2.gz	CSYGFZAYMDDKIN-CVEARBPZSA-N	1	0	357.462	1.694	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3c2C[C@H](C)CC3)C[C@@H]1n1ccnn1	ZINC001130062818	938651374	/nfs/dbraw/zinc/65/13/74/938651374.db2.gz	YLQKZBPLNADUAH-XYPHTWIQSA-N	1	0	369.473	1.357	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2noc3c2C[C@H](C)CC3)C[C@@H]1n1ccnn1	ZINC001130065465	938653041	/nfs/dbraw/zinc/65/30/41/938653041.db2.gz	IUMNDYOOICDETB-BMFZPTHFSA-N	1	0	368.441	1.070	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3c(C)cccn3c2)C[C@@H]1n1ccnn1	ZINC001130081258	938662193	/nfs/dbraw/zinc/66/21/93/938662193.db2.gz	FNWWQGWMOWHJQP-MJGOQNOKSA-N	1	0	362.437	1.518	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc3c([nH]2)CCC3)C[C@@H]1n1ccnn1	ZINC001130081625	938662941	/nfs/dbraw/zinc/66/29/41/938662941.db2.gz	YBPOVAGXNFWYPI-MSOLQXFVSA-N	1	0	354.458	1.716	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130075648	938669463	/nfs/dbraw/zinc/66/94/63/938669463.db2.gz	YWKFOJWDEZVKDR-MOPGFXCFSA-N	1	0	365.481	1.912	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@](C)(OC)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130088668	938674974	/nfs/dbraw/zinc/67/49/74/938674974.db2.gz	CUXLOCQMYCFUQS-WSTZPKSXSA-N	1	0	369.469	1.758	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]CC/C=C\CC)[C@@H](n3ccnn3)C2)cn1	ZINC001130091472	938676689	/nfs/dbraw/zinc/67/66/89/938676689.db2.gz	VSOSDIGLQXRCJY-WYNBNGFRSA-N	1	0	364.453	1.666	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@H](CC)C(C)C)C[C@@H]1n1ccnn1	ZINC001130096186	938680544	/nfs/dbraw/zinc/68/05/44/938680544.db2.gz	AEWWDWMMFDZLNS-KSZLIROESA-N	1	0	363.506	1.895	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)C[C@@H]1n1ccnn1	ZINC001130102008	938680607	/nfs/dbraw/zinc/68/06/07/938680607.db2.gz	BQNHGGYCTUNVKO-YWPYOKSTSA-N	1	0	367.497	1.859	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cccc(OC)c2)C[C@@H]1n1ccnn1	ZINC001130099367	938681900	/nfs/dbraw/zinc/68/19/00/938681900.db2.gz	CVEMSHUCGGUKTF-MSOLQXFVSA-N	1	0	355.442	1.908	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)cc2)C[C@@H]1n1ccnn1	ZINC001130099524	938682237	/nfs/dbraw/zinc/68/22/37/938682237.db2.gz	GWNYXOYPNQYRPP-MSOLQXFVSA-N	1	0	355.442	1.908	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(N(C)C)c2)C[C@@H]1n1ccnn1	ZINC001130102380	938684594	/nfs/dbraw/zinc/68/45/94/938684594.db2.gz	WDTBKLDLSXHOOQ-MSOLQXFVSA-N	1	0	352.442	1.023	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C2(CCOC)CCC2)C[C@@H]1n1ccnn1	ZINC001130105109	938686036	/nfs/dbraw/zinc/68/60/36/938686036.db2.gz	LIAKWGGATXDQDJ-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OCC)cc2)C[C@@H]1n1ccnn1	ZINC001130110051	938688926	/nfs/dbraw/zinc/68/89/26/938688926.db2.gz	RHEIURUDIZBQKZ-MSOLQXFVSA-N	1	0	353.426	1.355	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccccc2OCC)C[C@@H]1n1ccnn1	ZINC001130110196	938689292	/nfs/dbraw/zinc/68/92/92/938689292.db2.gz	ZJICIQVFSQLYQW-SJORKVTESA-N	1	0	355.442	1.908	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)c(OC)c2)C[C@@H]1n1ccnn1	ZINC001130111607	938690222	/nfs/dbraw/zinc/69/02/22/938690222.db2.gz	HWMWEWCPDYFWTB-CVEARBPZSA-N	1	0	371.441	1.527	20	30		FDEDRO
C=C[C@@H](C)NC(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000805195742	938693276	/nfs/dbraw/zinc/69/32/76/938693276.db2.gz	AOECRWCTLZMULB-CABCVRRESA-N	1	0	352.479	1.898	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(OCC)cc2)C[C@@H]1n1ccnn1	ZINC001130114739	938693700	/nfs/dbraw/zinc/69/37/00/938693700.db2.gz	AHEAKYZOTPRVQW-MOPGFXCFSA-N	1	0	367.453	1.284	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2scnc2Cl)C[C@@H]1n1ccnn1	ZINC001130127662	938697613	/nfs/dbraw/zinc/69/76/13/938697613.db2.gz	CNMMJMRKWNWPTB-MNOVXSKESA-N	1	0	350.835	1.067	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCOCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130132575	938707458	/nfs/dbraw/zinc/70/74/58/938707458.db2.gz	GBKGHSDPFPNXSH-MOPGFXCFSA-N	1	0	367.453	1.250	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CN(CC)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130133732	938708366	/nfs/dbraw/zinc/70/83/66/938708366.db2.gz	AINKEJHTCSPUME-MOPGFXCFSA-N	1	0	366.469	1.169	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](F)Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130134051	938708888	/nfs/dbraw/zinc/70/88/88/938708888.db2.gz	PVUAPNBLIBTMIR-KURKYZTESA-N	1	0	355.417	1.224	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2ccccc2C)C[C@@H]1n1ccnn1	ZINC001130143496	938714780	/nfs/dbraw/zinc/71/47/80/938714780.db2.gz	WINIRVQCOXWJBH-SXLOBPIMSA-N	1	0	365.481	1.830	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cccc(C)c2)[C@@H](n2ccnn2)C1	ZINC001130151218	938715672	/nfs/dbraw/zinc/71/56/72/938715672.db2.gz	JKNYLSJZZOWDIX-UHOSZYNNSA-N	1	0	369.469	1.719	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]([NH2+]C[C@@H](C)CC(C)C)[C@@H](n2ccnn2)C1	ZINC001130151346	938715969	/nfs/dbraw/zinc/71/59/69/938715969.db2.gz	NDDIXXIHYNZRIP-KSZLIROESA-N	1	0	363.506	1.895	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCC=C)C[C@@H]1n1ccnn1	ZINC001130151545	938715990	/nfs/dbraw/zinc/71/59/90/938715990.db2.gz	WWRGANCLBFCIQQ-KURKYZTESA-N	1	0	361.490	1.957	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CCCCCF)[C@@H](n2ccnn2)C1	ZINC001130151353	938716012	/nfs/dbraw/zinc/71/60/12/938716012.db2.gz	NESGHEONLOIVBX-XHSDSOJGSA-N	1	0	353.442	1.351	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COC2CCC(C)CC2)C[C@@H]1n1ccnn1	ZINC001130153378	938717154	/nfs/dbraw/zinc/71/71/54/938717154.db2.gz	MZVMFRDULSRLII-HIEASXQVSA-N	1	0	359.474	1.238	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccccc2N(C)C)C[C@@H]1n1ccnn1	ZINC001130155359	938718380	/nfs/dbraw/zinc/71/83/80/938718380.db2.gz	BZZMCLHAIUWXOW-AEFFLSMTSA-N	1	0	352.442	1.023	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)CCCC(N)=O)C[C@@H]1n1ccnn1	ZINC001130155654	938718896	/nfs/dbraw/zinc/71/88/96/938718896.db2.gz	VAFSBOKVFJZAAO-CVEARBPZSA-N	1	0	362.478	1.022	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](OCC)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130148407	938722772	/nfs/dbraw/zinc/72/27/72/938722772.db2.gz	PBCUFPUOVUDPJX-SQNIBIBYSA-N	1	0	355.442	1.583	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(F)F)[nH]1	ZINC001130179862	938727092	/nfs/dbraw/zinc/72/70/92/938727092.db2.gz	UDJICYQIFWLUOI-AGIUHOORSA-N	1	0	371.432	1.893	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccc(C)c2)[nH]1	ZINC001130187879	938734324	/nfs/dbraw/zinc/73/43/24/938734324.db2.gz	OLOIBSAGWVBHTO-IRXDYDNUSA-N	1	0	367.453	1.529	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CSC(C)C)n1	ZINC001130190997	938736403	/nfs/dbraw/zinc/73/64/03/938736403.db2.gz	YDYJVZHSEYAXQS-KBPBESRZSA-N	1	0	365.503	1.048	20	30		FDEDRO
C=CCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCOC(C)C)[nH]1	ZINC001130193104	938737318	/nfs/dbraw/zinc/73/73/18/938737318.db2.gz	IXJWEKMXCYXBJK-GJZGRUSLSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cscc2C)[nH]1	ZINC001130196103	938739445	/nfs/dbraw/zinc/73/94/45/938739445.db2.gz	RXWCGGLZKMJLLK-JSGCOSHPSA-N	1	0	361.471	1.753	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCc2ccco2)[nH]1	ZINC001130182996	938742019	/nfs/dbraw/zinc/74/20/19/938742019.db2.gz	KJXWJVNIHRZXOL-HOTGVXAUSA-N	1	0	371.441	1.132	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[C@H]2CCCO2)[nH]1	ZINC001130185104	938744521	/nfs/dbraw/zinc/74/45/21/938744521.db2.gz	WWCADCPSWSWMSK-ILXRZTDVSA-N	1	0	363.462	1.028	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CC(C)(C)C2)[nH]1	ZINC001130207804	938746904	/nfs/dbraw/zinc/74/69/04/938746904.db2.gz	QICYYQSAPQMWLB-GJZGRUSLSA-N	1	0	361.490	1.895	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2c(C)coc2C)n1	ZINC001130207824	938747114	/nfs/dbraw/zinc/74/71/14/938747114.db2.gz	RJKZXLYTDKPXAH-KBPBESRZSA-N	1	0	357.414	1.040	20	30		FDEDRO
O=C(C#CC1CC1)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCC2CC2)[nH]1	ZINC001130212886	938750044	/nfs/dbraw/zinc/75/00/44/938750044.db2.gz	JJSATJXMLNAFFM-HOTGVXAUSA-N	1	0	357.458	1.097	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H](C)SC)[nH]1	ZINC001130200174	938753798	/nfs/dbraw/zinc/75/37/98/938753798.db2.gz	CFWOIFZYFBJZDJ-IHRRRGAJSA-N	1	0	365.503	1.048	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)c(C)o2)[nH]1	ZINC001130200507	938754251	/nfs/dbraw/zinc/75/42/51/938754251.db2.gz	MWXYLVLLCSVIRF-HOCLYGCPSA-N	1	0	371.441	1.430	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=C2CCC2)[nH]1	ZINC001130200760	938754515	/nfs/dbraw/zinc/75/45/15/938754515.db2.gz	VXQGEIPLMPOYDT-HOTGVXAUSA-N	1	0	359.474	1.960	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](CC)SC)[nH]1	ZINC001130200742	938754620	/nfs/dbraw/zinc/75/46/20/938754620.db2.gz	VMKOJLNPRCBHHC-RWMBFGLXSA-N	1	0	353.492	1.211	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC(C)(C)COC)[nH]1	ZINC001130224832	938758824	/nfs/dbraw/zinc/75/88/24/938758824.db2.gz	DUENKFZLSIZQEC-KBPBESRZSA-N	1	0	365.478	1.132	20	30		FDEDRO
C#Cc1ccc(C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CC=C)[nH]2)cc1	ZINC001130224880	938758828	/nfs/dbraw/zinc/75/88/28/938758828.db2.gz	HAZWMMJVUGDVOX-IRXDYDNUSA-N	1	0	365.437	1.364	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)CC(F)F)[nH]1	ZINC001130224920	938758943	/nfs/dbraw/zinc/75/89/43/938758943.db2.gz	ITAFUVPCSZYEGM-SRVKXCTJSA-N	1	0	357.405	1.360	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@]2(C)C=CCC2)n1	ZINC001130227514	938761301	/nfs/dbraw/zinc/76/13/01/938761301.db2.gz	BRTDDORZXOSNFN-DOXZYTNZSA-N	1	0	357.458	1.263	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCCC2CC2)n1	ZINC001130229914	938763282	/nfs/dbraw/zinc/76/32/82/938763282.db2.gz	HPJKOLQWZGRMSU-HOTGVXAUSA-N	1	0	359.474	1.487	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)co2)[nH]1	ZINC001130230159	938763706	/nfs/dbraw/zinc/76/37/06/938763706.db2.gz	OUWBUKWSOKKXEK-ZFWWWQNUSA-N	1	0	359.430	1.674	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1	ZINC001130234604	938766015	/nfs/dbraw/zinc/76/60/15/938766015.db2.gz	DCUXWBDMDHEJBB-DCGLDWPTSA-N	1	0	353.442	1.455	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2csc(C)n2)[nH]1	ZINC001130234784	938766240	/nfs/dbraw/zinc/76/62/40/938766240.db2.gz	LQECTQWIMJPBFX-AAEUAGOBSA-N	1	0	362.459	1.148	20	30		FDEDRO
C=C1CC(C)(C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CCCF)[nH]2)C1	ZINC001130235072	938766246	/nfs/dbraw/zinc/76/62/46/938766246.db2.gz	SWAUKIJYPNXDNP-KBPBESRZSA-N	1	0	365.453	1.599	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCC(C)(C)C2)n1	ZINC001130240485	938768492	/nfs/dbraw/zinc/76/84/92/938768492.db2.gz	QWQYZPAYKHZZLS-KKUMJFAQSA-N	1	0	359.474	1.343	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCCCSCC#N)CC1=O	ZINC000805542186	938770282	/nfs/dbraw/zinc/77/02/82/938770282.db2.gz	IOWGRKTVNHWTLM-LSDHHAIUSA-N	1	0	353.488	1.509	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(F)CCCCC2)n1	ZINC001130246085	938771475	/nfs/dbraw/zinc/77/14/75/938771475.db2.gz	DBGOGOBXBAWTCS-KBPBESRZSA-N	1	0	363.437	1.189	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCc2ccccc2)n1	ZINC001130246065	938771556	/nfs/dbraw/zinc/77/15/56/938771556.db2.gz	CMYHYUSTJDRFNX-IRXDYDNUSA-N	1	0	367.453	1.149	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(OC)cc2)[nH]1	ZINC001130247026	938772009	/nfs/dbraw/zinc/77/20/09/938772009.db2.gz	RBUJNJCAGIWBML-HOTGVXAUSA-N	1	0	371.441	1.391	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C)nc2C)[nH]1	ZINC001130251532	938774922	/nfs/dbraw/zinc/77/49/22/938774922.db2.gz	ZOQTUUPYIWIKOS-HOTGVXAUSA-N	1	0	370.457	1.395	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)cc1	ZINC001130258785	938777588	/nfs/dbraw/zinc/77/75/88/938777588.db2.gz	PKARNZIRBUBOTN-KGLIPLIRSA-N	1	0	357.332	1.110	20	30		FDEDRO
C=CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COCC)CC1	ZINC001130271663	938785483	/nfs/dbraw/zinc/78/54/83/938785483.db2.gz	MJGPEZWPOLRCNW-APWZRJJASA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2ccn[nH]2)CC1	ZINC001130274658	938787022	/nfs/dbraw/zinc/78/70/22/938787022.db2.gz	XOOKODWAOFNYRP-QAPCUYQASA-N	1	0	359.474	1.465	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCCOCC)CC1	ZINC001130276985	938788351	/nfs/dbraw/zinc/78/83/51/938788351.db2.gz	XLUMLLXXNZLKGS-XLIONFOSSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](CC)OCC)CC1	ZINC001130279178	938789386	/nfs/dbraw/zinc/78/93/86/938789386.db2.gz	VFPXCWUOAGITDY-LMMKCTJWSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[C@H]2CCOC2)CC1	ZINC001130285331	938790196	/nfs/dbraw/zinc/79/01/96/938790196.db2.gz	FBOWQMFIXJPWNA-VPWXQRGCSA-N	1	0	363.502	1.465	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC(=C)C)CC1	ZINC001130290641	938795432	/nfs/dbraw/zinc/79/54/32/938795432.db2.gz	ISGQOUZATGAMOI-WDYCEAGBSA-N	1	0	361.486	1.076	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCOCC2CC2)CC1	ZINC001130290899	938795719	/nfs/dbraw/zinc/79/57/19/938795719.db2.gz	QLMQDCRHJQXHKE-XLIONFOSSA-N	1	0	363.502	1.465	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(C)(C)CCOC)CC1	ZINC001130304896	938803130	/nfs/dbraw/zinc/80/31/30/938803130.db2.gz	FHWCNOGJBLAQKN-AEFFLSMTSA-N	1	0	363.502	1.158	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@@H](C)c2ccco2)CC1	ZINC001130304964	938803417	/nfs/dbraw/zinc/80/34/17/938803417.db2.gz	GYAZDPBJQJVBNW-CEQIKUNHSA-N	1	0	371.481	1.882	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccncc1	ZINC000805810206	938830602	/nfs/dbraw/zinc/83/06/02/938830602.db2.gz	FZNUEKYXNCKYBG-NUJGCVRESA-N	1	0	374.485	1.431	20	30		FDEDRO
COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)C2CC[NH+](C3CC3)CC2)cc1	ZINC000805857349	938838817	/nfs/dbraw/zinc/83/88/17/938838817.db2.gz	BNHWZWFUECORRF-IBGZPJMESA-N	1	0	369.465	1.937	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(=O)[nH]n3)C2)cc1F	ZINC001086635711	938845932	/nfs/dbraw/zinc/84/59/32/938845932.db2.gz	BOYMUUFIBDTELA-SWLSCSKDSA-N	1	0	369.400	1.881	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc[n+]([O-])cc3)C2)cc1	ZINC001086637654	938865335	/nfs/dbraw/zinc/86/53/35/938865335.db2.gz	SLLBAESTFBWPNB-PKOBYXMFSA-N	1	0	350.422	1.880	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCn2cccn2)C[C@H]1c1cn(C)cn1	ZINC001130500476	938883962	/nfs/dbraw/zinc/88/39/62/938883962.db2.gz	KJFIAZZQBQKARQ-ZIFCJYIRSA-N	1	0	370.501	1.946	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(C)n(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130516490	938893719	/nfs/dbraw/zinc/89/37/19/938893719.db2.gz	HOEVFCXPSUXOEJ-MAUKXSAKSA-N	1	0	356.474	1.626	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CSCCC)C[C@H]1c1cn(C)cn1	ZINC001130519517	938896132	/nfs/dbraw/zinc/89/61/32/938896132.db2.gz	WGAYNGMFRAWJPI-DOTOQJQBSA-N	1	0	366.531	1.650	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccccn2)C1	ZINC001130574441	939874625	/nfs/dbraw/zinc/87/46/25/939874625.db2.gz	VGSOBVBXVCPAIB-ILZDJORESA-N	1	0	369.469	1.226	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1c1cn(C)cn1	ZINC001130574292	939874681	/nfs/dbraw/zinc/87/46/81/939874681.db2.gz	SFPTWKFCLCHMLL-DOTOQJQBSA-N	1	0	363.506	1.411	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130583567	939884020	/nfs/dbraw/zinc/88/40/20/939884020.db2.gz	GHRYTNHOLWAONV-VDZJLULYSA-N	1	0	370.501	1.635	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@@H]2CCCOC2)C1	ZINC001130578563	939891181	/nfs/dbraw/zinc/89/11/81/939891181.db2.gz	TYAPXDRCHIHRKQ-JENIJYKNSA-N	1	0	358.486	1.534	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130600836	939895634	/nfs/dbraw/zinc/89/56/34/939895634.db2.gz	NMCOELWCKUVNMK-MAUKXSAKSA-N	1	0	366.469	1.252	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC[C@H]2CCOC2)C1	ZINC001130590428	939897073	/nfs/dbraw/zinc/89/70/73/939897073.db2.gz	PBZICNGYFSCSES-JENIJYKNSA-N	1	0	358.486	1.390	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC[C@@H]2CCOC2)C1	ZINC001130590429	939897228	/nfs/dbraw/zinc/89/72/28/939897228.db2.gz	PBZICNGYFSCSES-ZIFCJYIRSA-N	1	0	358.486	1.390	20	30		FDEDRO
Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2c2cn(C)cn2)cn1	ZINC001130590602	939897631	/nfs/dbraw/zinc/89/76/31/939897631.db2.gz	YMZJFRDSMUUETR-PKOBYXMFSA-N	1	0	366.469	1.262	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCc2ncc(C)o2)C[C@H]1c1cn(C)cn1	ZINC001130611104	939908702	/nfs/dbraw/zinc/90/87/02/939908702.db2.gz	YFEQSCPWKJIVCU-DOTOQJQBSA-N	1	0	355.442	1.257	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(=O)NC(C)C)C1	ZINC001130602837	939914465	/nfs/dbraw/zinc/91/44/65/939914465.db2.gz	PRBMPMBJOUCZRM-DOTOQJQBSA-N	1	0	361.490	1.185	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCc2ccnn2C)C1	ZINC001130602850	939914562	/nfs/dbraw/zinc/91/45/62/939914562.db2.gz	QGKNVKHXSFHJOG-PKOBYXMFSA-N	1	0	370.501	1.637	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnnn2C)C1	ZINC001130604467	939915613	/nfs/dbraw/zinc/91/56/13/939915613.db2.gz	BHGSCDYTRVICTC-DOTOQJQBSA-N	1	0	371.489	1.235	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ncc(C)cc2OC)C[C@H]1c1cn(C)cn1	ZINC001130607894	939919749	/nfs/dbraw/zinc/91/97/49/939919749.db2.gz	QFZMHBGTMZNCAR-DOTOQJQBSA-N	1	0	367.453	1.353	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ncc3ccccn32)C[C@H]1c1cn(C)cn1	ZINC001130625931	939923748	/nfs/dbraw/zinc/92/37/48/939923748.db2.gz	DARQEAWXJQLNNG-FUHWJXTLSA-N	1	0	362.437	1.289	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2cc(C)nn2C)C[C@H]1c1cn(C)cn1	ZINC001130626610	939924318	/nfs/dbraw/zinc/92/43/18/939924318.db2.gz	NYQRPIKPIHHGTR-PKOBYXMFSA-N	1	0	370.501	1.555	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CCC(C)(F)F)C[C@H]1c1cn(C)cn1	ZINC001130619106	939929768	/nfs/dbraw/zinc/92/97/68/939929768.db2.gz	BIRKKFNLEPALHW-GOEBONIOSA-N	1	0	368.428	1.389	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cccnc2)C[C@H]1c1cn(C)cn1	ZINC001130619328	939930170	/nfs/dbraw/zinc/93/01/70/939930170.db2.gz	MMQOIGRNBUAMPK-PKOBYXMFSA-N	1	0	365.481	1.700	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ncc(C)cc2C)C[C@H]1c1cn(C)cn1	ZINC001130630805	939935039	/nfs/dbraw/zinc/93/50/39/939935039.db2.gz	WHXARNBNPUQASA-FUHWJXTLSA-N	1	0	351.454	1.653	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(OC)cn2)C[C@H]1c1cn(C)cn1	ZINC001130652258	939946459	/nfs/dbraw/zinc/94/64/59/939946459.db2.gz	LTCBMWGLJLRYQL-PKOBYXMFSA-N	1	0	369.469	1.527	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc3n[nH]cc3c2)C[C@H]1c1cn(C)cn1	ZINC001130654253	939947892	/nfs/dbraw/zinc/94/78/92/939947892.db2.gz	BTIDZXUFUJSGIZ-QFBILLFUSA-N	1	0	362.437	1.518	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cc(C)ncn2)C1	ZINC001130664561	939957501	/nfs/dbraw/zinc/95/75/01/939957501.db2.gz	WCDMURIQTAQSKA-PKOBYXMFSA-N	1	0	368.485	1.959	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cc2C)C[C@H]1c1cn(C)cn1	ZINC001130672312	939971510	/nfs/dbraw/zinc/97/15/10/939971510.db2.gz	MJDRWHGBQKAFMA-DOTOQJQBSA-N	1	0	355.442	1.603	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2nccc3[nH]ccc32)C[C@H]1c1cn(C)cn1	ZINC001130677627	939974177	/nfs/dbraw/zinc/97/41/77/939974177.db2.gz	AWBAYSBOSQXOHY-MAUKXSAKSA-N	1	0	362.437	1.518	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2noc3c2CCCC3)C[C@H]1c1cn(C)cn1	ZINC001130682614	939982369	/nfs/dbraw/zinc/98/23/69/939982369.db2.gz	GHZACSHMDVMQCC-DOTOQJQBSA-N	1	0	367.453	1.508	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)[nH]c2=O)C[C@H]1c1cn(C)cn1	ZINC001130683163	939982961	/nfs/dbraw/zinc/98/29/61/939982961.db2.gz	ZTKXJBVVFNEUQM-DOTOQJQBSA-N	1	0	353.426	1.050	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@H]1c1cn(C)cn1	ZINC001130683117	939983008	/nfs/dbraw/zinc/98/30/08/939983008.db2.gz	YKTDVFVQGIYQGF-PZJWPPBQSA-N	1	0	362.477	1.742	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cncc(Cl)c2)C[C@H]1c1cn(C)cn1	ZINC001130695288	939989700	/nfs/dbraw/zinc/98/97/00/939989700.db2.gz	LITDPMXBDMEMKW-DOTOQJQBSA-N	1	0	357.845	1.690	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCCOC2)C[C@H]1c1cn(C)cn1	ZINC001130700805	939996066	/nfs/dbraw/zinc/99/60/66/939996066.db2.gz	FWXOASCBCNLMTR-ZIFCJYIRSA-N	1	0	358.486	1.534	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cn(CCC)nn2)C[C@H]1c1cn(C)cn1	ZINC001130701419	939996688	/nfs/dbraw/zinc/99/66/88/939996688.db2.gz	SNQKYWPQEHCEEB-DOTOQJQBSA-N	1	0	371.489	1.586	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2coc(C3CCC3)n2)C[C@H]1c1cn(C)cn1	ZINC001130708506	940014610	/nfs/dbraw/zinc/01/46/10/940014610.db2.gz	VBUABVNLRKYROY-DOTOQJQBSA-N	1	0	367.453	1.897	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2nccs2)C[C@H]1c1cn(C)cn1	ZINC001130728969	940017524	/nfs/dbraw/zinc/01/75/24/940017524.db2.gz	QBWXOHHEQRIIHS-GOEBONIOSA-N	1	0	357.483	1.417	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCc2ccccn2)C[C@H]1c1cn(C)cn1	ZINC001130719324	940022366	/nfs/dbraw/zinc/02/23/66/940022366.db2.gz	JPEFGNJJOUOWGJ-PKOBYXMFSA-N	1	0	353.470	1.908	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(C)nn(C)c2F)C[C@H]1c1cn(C)cn1	ZINC001130719370	940022907	/nfs/dbraw/zinc/02/29/07/940022907.db2.gz	MFDXIBLWAZMWJZ-DZGCQCFKSA-N	1	0	360.437	1.375	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)noc2CC)C[C@H]1c1cn(C)cn1	ZINC001130723623	940028489	/nfs/dbraw/zinc/02/84/89/940028489.db2.gz	RXSGMSHWWGIWLQ-GOEBONIOSA-N	1	0	355.442	1.500	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccccc2C)C[C@H]1c1cn(C)cn1	ZINC001130723793	940029027	/nfs/dbraw/zinc/02/90/27/940029027.db2.gz	YHNIEIZHYXCBKO-AZUAARDMSA-N	1	0	350.466	1.879	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130734641	940034936	/nfs/dbraw/zinc/03/49/36/940034936.db2.gz	XHRNLDDDIBCAMH-VDZJLULYSA-N	1	0	360.502	1.943	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)COCCOCC)C[C@H]1c1cn(C)cn1	ZINC001130736978	940038356	/nfs/dbraw/zinc/03/83/56/940038356.db2.gz	SECAOBAMJKBTGH-FUHWJXTLSA-N	1	0	364.490	1.323	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCOCC)C1	ZINC001130741885	940046171	/nfs/dbraw/zinc/04/61/71/940046171.db2.gz	URRRLXCDRPBGDO-SOLBZPMBSA-N	1	0	364.490	1.322	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1c1cn(C)cn1	ZINC001130741446	940046177	/nfs/dbraw/zinc/04/61/77/940046177.db2.gz	CLDIPFJLNICUPW-HLLBOEOZSA-N	1	0	361.490	1.314	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCCOC)C1	ZINC001130741773	940046196	/nfs/dbraw/zinc/04/61/96/940046196.db2.gz	PCDPMBCJGNQRPT-XYJFISCASA-N	1	0	364.490	1.322	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC3CC3)n2)O1	ZINC001130754846	940065881	/nfs/dbraw/zinc/06/58/81/940065881.db2.gz	QGEXWBYTOYAXRF-QWHCGFSZSA-N	1	0	353.854	1.783	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)OCCCC)n2)O1	ZINC001130762285	940070282	/nfs/dbraw/zinc/07/02/82/940070282.db2.gz	QYVQJUVJFVYVMT-SOUVJXGZSA-N	1	0	365.478	1.622	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)OC)n2)O1	ZINC001130765531	940096839	/nfs/dbraw/zinc/09/68/39/940096839.db2.gz	WRYMHNSZSKDKPB-GRYCIOLGSA-N	1	0	357.842	1.018	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cocn3)n2)O1	ZINC001130767565	940101533	/nfs/dbraw/zinc/10/15/33/940101533.db2.gz	MCFPRTRFXUFGNM-GXTWGEPZSA-N	1	0	360.418	1.499	20	30		FDEDRO
CCC(CC)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)C#N)n2)O1	ZINC001130769321	940105612	/nfs/dbraw/zinc/10/56/12/940105612.db2.gz	CGWFBMGXRLCGHI-AEGPPILISA-N	1	0	362.478	1.826	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](OCC)C3CC3)n2)O1	ZINC001130785585	940120607	/nfs/dbraw/zinc/12/06/07/940120607.db2.gz	WDFLMQQVEAAHII-SQWLQELKSA-N	1	0	363.462	1.232	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COC(C)(C)C)n2)O1	ZINC001130776377	940124987	/nfs/dbraw/zinc/12/49/87/940124987.db2.gz	BNFGDEZZKULNFL-UONOGXRCSA-N	1	0	365.478	1.622	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](CC)SC)n2)O1	ZINC001130776617	940126279	/nfs/dbraw/zinc/12/62/79/940126279.db2.gz	ICXVGNWGDXCUEK-MJBXVCDLSA-N	1	0	365.503	1.396	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C)ncn3)n2)O1	ZINC001130776972	940127712	/nfs/dbraw/zinc/12/77/12/940127712.db2.gz	PBYYONOLRGJRCC-DZGCQCFKSA-N	1	0	371.445	1.219	20	30		FDEDRO
C#CCCCNC(=O)C(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1	ZINC000806914548	940140424	/nfs/dbraw/zinc/14/04/24/940140424.db2.gz	DWOLWYQDXHOGLQ-UHFFFAOYSA-N	1	0	361.873	1.904	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(C)(C)C(C)(C)C)n2)O1	ZINC001130796103	940150578	/nfs/dbraw/zinc/15/05/78/940150578.db2.gz	IDMCJGUHAXTMLW-UONOGXRCSA-N	1	0	361.490	1.936	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](F)C(C)C)n2)O1	ZINC001130796214	940150667	/nfs/dbraw/zinc/15/06/67/940150667.db2.gz	MGBKEBCYLIZTJQ-GZBFAFLISA-N	1	0	353.442	1.801	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(CC)o3)n2)O1	ZINC001130790374	940164803	/nfs/dbraw/zinc/16/48/03/940164803.db2.gz	XCUGEXHQPMIYAR-LSDHHAIUSA-N	1	0	371.441	1.723	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)C3CCC3)n2)O1	ZINC001130792810	940172752	/nfs/dbraw/zinc/17/27/52/940172752.db2.gz	ZKNZAORQTDXUHQ-VNQPRFMTSA-N	1	0	359.474	1.690	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3occc3C)n2)O1	ZINC001130809238	940186432	/nfs/dbraw/zinc/18/64/32/940186432.db2.gz	NGYORAMSOAVHBM-UONOGXRCSA-N	1	0	359.430	1.561	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC34CC4)n2)O1	ZINC001130809395	940188109	/nfs/dbraw/zinc/18/81/09/940188109.db2.gz	WDOBKYMSDCZOQW-SOUVJXGZSA-N	1	0	359.474	1.997	20	30		FDEDRO
CCOC(=O)C1=C(Nc2ccc(Br)c(C#N)n2)CC[NH2+]C1	ZINC001170520438	940280293	/nfs/dbraw/zinc/28/02/93/940280293.db2.gz	HMGKVZMXQSXNAF-UHFFFAOYSA-N	1	0	351.204	1.938	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CNC(=O)OC)C[C@H]1c1cncn1C	ZINC001130925074	940321786	/nfs/dbraw/zinc/32/17/86/940321786.db2.gz	QJVQXEKEJPKHSE-RBSFLKMASA-N	1	0	363.462	1.015	20	30		FDEDRO
C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000807452761	940363492	/nfs/dbraw/zinc/36/34/92/940363492.db2.gz	FEQNZJBTOMLTKJ-CZUORRHYSA-N	1	0	374.416	1.752	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@H]1c1cncn1C	ZINC001130951988	940371640	/nfs/dbraw/zinc/37/16/40/940371640.db2.gz	YXZWUTKPVDYPSS-GDBMZVCRSA-N	1	0	355.442	1.685	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1c1cncn1C	ZINC001130973019	940383791	/nfs/dbraw/zinc/38/37/91/940383791.db2.gz	LYFGVUGNGPMOFM-IAGOWNOFSA-N	1	0	356.474	1.247	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1c1cncn1C	ZINC001130982752	940397632	/nfs/dbraw/zinc/39/76/32/940397632.db2.gz	FGBIQAGCJKZBBV-GVDBMIGSSA-N	1	0	360.502	1.964	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1c1cncn1C	ZINC001130991287	940413457	/nfs/dbraw/zinc/41/34/57/940413457.db2.gz	CCYVMUCFVQCNED-CGTJXYLNSA-N	1	0	370.501	1.635	20	30		FDEDRO
Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1c1cncn1C	ZINC001130991678	940414475	/nfs/dbraw/zinc/41/44/75/940414475.db2.gz	XDNYBDJXAVIPOD-HZPDHXFCSA-N	1	0	355.442	1.460	20	30		FDEDRO
Cc1cc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2c2cncn2C)sn1	ZINC001130991655	940414700	/nfs/dbraw/zinc/41/47/00/940414700.db2.gz	VXBGZWQHYWHYDR-IAGOWNOFSA-N	1	0	371.510	1.929	20	30		FDEDRO
Cc1oncc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1c1cncn1C	ZINC001130985814	940423368	/nfs/dbraw/zinc/42/33/68/940423368.db2.gz	ROOXHAVUZPHVTR-IAGOWNOFSA-N	1	0	369.469	1.850	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2ccncn2)C[C@H]1c1cncn1C	ZINC001131001780	940428644	/nfs/dbraw/zinc/42/86/44/940428644.db2.gz	NVBFGWOASBXNSD-QZTJIDSGSA-N	1	0	368.485	1.693	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)nnc2C)C[C@H]1c1cncn1C	ZINC001131003845	940430270	/nfs/dbraw/zinc/43/02/70/940430270.db2.gz	SPDOICYLGYZTPA-IAGOWNOFSA-N	1	0	352.442	1.048	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOC)C1)OCC	ZINC001131004030	940430344	/nfs/dbraw/zinc/43/03/44/940430344.db2.gz	XPZAHBDFHNXPIC-NUJGCVRESA-N	1	0	364.490	1.322	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)n(C)n2)C[C@H]1c1cncn1C	ZINC001131005954	940432261	/nfs/dbraw/zinc/43/22/61/940432261.db2.gz	DTSUIUUAIHJIIO-NVXWUHKLSA-N	1	0	368.485	1.805	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2cn(C)nc2C)C[C@H]1c1cncn1C	ZINC001131007798	940434141	/nfs/dbraw/zinc/43/41/41/940434141.db2.gz	LPYJGCUUUAVJQH-IAGOWNOFSA-N	1	0	356.474	1.165	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2cnccc2C)C[C@H]1c1cncn1C	ZINC001131010155	940440784	/nfs/dbraw/zinc/44/07/84/940440784.db2.gz	CJONRPXCPQHSFW-QZTJIDSGSA-N	1	0	351.454	1.274	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cc(F)c[nH]2)C[C@H]1c1cncn1C	ZINC001131031076	940450600	/nfs/dbraw/zinc/45/06/00/940450600.db2.gz	GQNKZTZXQBWRCD-GDBMZVCRSA-N	1	0	361.421	1.288	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccncc2CC)C[C@H]1c1cncn1C	ZINC001131019890	940452352	/nfs/dbraw/zinc/45/23/52/940452352.db2.gz	FKRKRAWXEGWTNQ-QZTJIDSGSA-N	1	0	351.454	1.599	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2CC)C[C@H]1c1cncn1C	ZINC001131020544	940452872	/nfs/dbraw/zinc/45/28/72/940452872.db2.gz	WQIMQPDPUFXZRM-NVXWUHKLSA-N	1	0	356.474	1.870	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1c1cncn1C	ZINC001131020582	940453168	/nfs/dbraw/zinc/45/31/68/940453168.db2.gz	XXJVUVDFZPINBJ-HUUCEWRRSA-N	1	0	367.925	1.787	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2onc3c2CCCC3)C[C@H]1c1cncn1C	ZINC001131028848	940463336	/nfs/dbraw/zinc/46/33/36/940463336.db2.gz	MDINHAHPISIXHL-NVXWUHKLSA-N	1	0	367.453	1.508	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(=O)[nH]c2)C[C@H]1c1cncn1C	ZINC001131028880	940463690	/nfs/dbraw/zinc/46/36/90/940463690.db2.gz	NSLBKWWVAGQIBK-HZPDHXFCSA-N	1	0	355.442	1.224	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC2CC2)C1	ZINC001131040095	940468052	/nfs/dbraw/zinc/46/80/52/940468052.db2.gz	LNBVYMOBXBLWGE-HLIPFELVSA-N	1	0	360.502	1.943	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)cc2C)C[C@H]1c1cncn1C	ZINC001131061687	940479666	/nfs/dbraw/zinc/47/96/66/940479666.db2.gz	JSXZGWROLNVMTO-RTBURBONSA-N	1	0	366.465	1.958	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CCCC#CC)C[C@H]1c1cncn1C	ZINC001131051701	940480262	/nfs/dbraw/zinc/48/02/62/940480262.db2.gz	UPFGQFNZBCQHAD-QZTJIDSGSA-N	1	0	358.486	1.700	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ncsc2C2CC2)C[C@H]1c1cncn1C	ZINC001131070444	940484652	/nfs/dbraw/zinc/48/46/52/940484652.db2.gz	VRRZIRRKVFGOFS-HUUCEWRRSA-N	1	0	369.494	1.975	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC=C(C)C)C1	ZINC001131072246	940485097	/nfs/dbraw/zinc/48/50/97/940485097.db2.gz	PLRPVVMWADLJDZ-MTNOOBJLSA-N	1	0	358.486	1.861	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2ccc(C)n2)C[C@H]1c1cncn1C	ZINC001131072188	940485142	/nfs/dbraw/zinc/48/51/42/940485142.db2.gz	MJQREVNJBKPAEX-CGTJXYLNSA-N	1	0	370.501	1.864	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1c1cncn1C	ZINC001131073772	940490289	/nfs/dbraw/zinc/49/02/89/940490289.db2.gz	NQSTZPJSVWMGQL-HZPDHXFCSA-N	1	0	357.462	1.021	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2nccc2C)C[C@H]1c1cncn1C	ZINC001131079754	940492332	/nfs/dbraw/zinc/49/23/32/940492332.db2.gz	SHWTUWYNZDPQTN-KBAYOESNSA-N	1	0	370.501	1.864	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cnn(C)c2)C[C@H]1c1cncn1C	ZINC001131098433	940492745	/nfs/dbraw/zinc/49/27/45/940492745.db2.gz	DSDDDMSQLSPNBC-IAGOWNOFSA-N	1	0	368.485	1.039	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn(C(C)C)nn2)C[C@H]1c1cncn1C	ZINC001131098556	940492814	/nfs/dbraw/zinc/49/28/14/940492814.db2.gz	FPECLVJVZMSGKY-HUUCEWRRSA-N	1	0	357.462	1.366	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cn(CCC)nn2)C[C@H]1c1cncn1C	ZINC001131098863	940492949	/nfs/dbraw/zinc/49/29/49/940492949.db2.gz	MYVRNOXMIYEBFX-HZPDHXFCSA-N	1	0	371.489	1.586	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)COC3)C[C@H]1c1cncn1C	ZINC001131086478	940493562	/nfs/dbraw/zinc/49/35/62/940493562.db2.gz	PYILSUZXOXFCBQ-RTBURBONSA-N	1	0	364.449	1.671	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cccnn2)C[C@H]1c1cncn1C	ZINC001131093928	940496733	/nfs/dbraw/zinc/49/67/33/940496733.db2.gz	MLFZGPSAMKMECA-ZMSDIMECSA-N	1	0	354.458	1.763	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]C[C@H](C)OC)C2)nc1	ZINC001131110727	940498416	/nfs/dbraw/zinc/49/84/16/940498416.db2.gz	WOIWNTQEOZNMKQ-YXJHDRRASA-N	1	0	367.453	1.029	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(CCC)on2)C[C@H]1c1cncn1C	ZINC001131100952	940500186	/nfs/dbraw/zinc/50/01/86/940500186.db2.gz	DTXGMXVIPLCABK-NVXWUHKLSA-N	1	0	355.442	1.582	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@H](OC)C(F)(F)F)C[C@H]1c1cncn1C	ZINC001131105910	940501740	/nfs/dbraw/zinc/50/17/40/940501740.db2.gz	KQCFRDLZCLVSNM-BZPMIXESSA-N	1	0	360.380	1.458	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1c1cncn1C	ZINC001131108607	940502874	/nfs/dbraw/zinc/50/28/74/940502874.db2.gz	XZSIMHGWDYRJGQ-IAGOWNOFSA-N	1	0	356.474	1.247	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cn3ccccc3n2)C[C@H]1c1cncn1C	ZINC001131119609	940505345	/nfs/dbraw/zinc/50/53/45/940505345.db2.gz	MJXKFDNKIXEVJB-HZPDHXFCSA-N	1	0	362.437	1.289	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2c(C)n[nH]c2C)C[C@H]1c1cncn1C	ZINC001131123718	940507250	/nfs/dbraw/zinc/50/72/50/940507250.db2.gz	OZCUESOLUZJHDR-QZTJIDSGSA-N	1	0	368.485	1.300	20	30		FDEDRO
N#CCOc1cccc(CC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)c1	ZINC000808010497	940508345	/nfs/dbraw/zinc/50/83/45/940508345.db2.gz	AMDRBVIBQAEPML-GOSISDBHSA-N	1	0	357.454	1.845	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)n2nc(C)cc2C)C[C@H]1c1cncn1C	ZINC001131130655	940511439	/nfs/dbraw/zinc/51/14/39/940511439.db2.gz	XMHUIYWGQJYNAH-RCCFBDPRSA-N	1	0	368.485	1.402	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2csc(C3CC3)n2)C[C@H]1c1cncn1C	ZINC001131136582	940513617	/nfs/dbraw/zinc/51/36/17/940513617.db2.gz	UQPBICTYXPKVDL-HUUCEWRRSA-N	1	0	369.494	1.975	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccncc3F)C2)C1=O	ZINC001086662953	940539919	/nfs/dbraw/zinc/53/99/19/940539919.db2.gz	QNVHMLGWCHOOSG-JJRVBVJISA-N	1	0	360.433	1.496	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ccoc2)C1	ZINC001131298094	940545166	/nfs/dbraw/zinc/54/51/66/940545166.db2.gz	SUNRCCJQWXAUFW-ZACQAIPSSA-N	1	0	359.426	1.965	20	30		FDEDRO
C=CCCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CCCOC)C[C@H]32)C1	ZINC001131303870	940547698	/nfs/dbraw/zinc/54/76/98/940547698.db2.gz	GIBOSOXJZSLYHL-OAGGEKHMSA-N	1	0	351.447	1.095	20	30		FDEDRO
CC#CCCCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CC(C)C)C[C@H]32)C1	ZINC001131310291	940550033	/nfs/dbraw/zinc/55/00/33/940550033.db2.gz	NWOOUURVLCDREM-KSZLIROESA-N	1	0	361.486	1.942	20	30		FDEDRO
CN1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)C1	ZINC001086664687	940551927	/nfs/dbraw/zinc/55/19/27/940551927.db2.gz	AFJZZPAWDGATGY-JJRVBVJISA-N	1	0	362.499	1.325	20	30		FDEDRO
C=CCN1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1	ZINC001131313359	940552976	/nfs/dbraw/zinc/55/29/76/940552976.db2.gz	PCDBJFUBNUAPIR-ZACQAIPSSA-N	1	0	364.490	1.010	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCC)CC1	ZINC001131408848	940565471	/nfs/dbraw/zinc/56/54/71/940565471.db2.gz	VRBJVDCLSJMPEF-LESCRADOSA-N	1	0	351.491	1.463	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccncc2)CC1	ZINC001131410729	940565991	/nfs/dbraw/zinc/56/59/91/940565991.db2.gz	KOSOTMYBDPZCKH-MOPGFXCFSA-N	1	0	357.454	1.331	20	30		FDEDRO
N#CCSCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H]2CCOC2)CC1	ZINC001131429504	940567289	/nfs/dbraw/zinc/56/72/89/940567289.db2.gz	JNNHAJRYHMNBPE-LESCRADOSA-N	1	0	367.515	1.265	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2cnnn2)CC1	ZINC001131416937	940567749	/nfs/dbraw/zinc/56/77/49/940567749.db2.gz	RNPXPRLVBDRTRV-KYJSFNMBSA-N	1	0	362.478	1.014	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cc1	ZINC000808765540	940593142	/nfs/dbraw/zinc/59/31/42/940593142.db2.gz	JLJSVQWEEGFITI-MRXNPFEDSA-N	1	0	363.483	1.883	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)COC)CC1	ZINC001131453950	940607199	/nfs/dbraw/zinc/60/71/99/940607199.db2.gz	GJVYMGRSMLKQJA-NXHRZFHOSA-N	1	0	354.491	1.457	20	30		FDEDRO
C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H]2CCCOC2)CC1	ZINC001131454244	940608441	/nfs/dbraw/zinc/60/84/41/940608441.db2.gz	RZGJPJXVYJPMKI-HQRMLTQVSA-N	1	0	366.502	1.601	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](O)C(C)C)CC1	ZINC001131488030	940631865	/nfs/dbraw/zinc/63/18/65/940631865.db2.gz	TVQRCMRXWDXDPU-KURKYZTESA-N	1	0	354.491	1.192	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC2OCCCO2)CC1	ZINC001131478559	940634326	/nfs/dbraw/zinc/63/43/26/940634326.db2.gz	DCAGAVQTQSVXFG-APWZRJJASA-N	1	0	352.475	1.701	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCC(=O)NC)CC1	ZINC001131480102	940636252	/nfs/dbraw/zinc/63/62/52/940636252.db2.gz	DNWGYEBDXZTTOC-QAPCUYQASA-N	1	0	371.909	1.641	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1	ZINC001131480080	940636335	/nfs/dbraw/zinc/63/63/35/940636335.db2.gz	CUKMJAPCHFAGKO-MOPGFXCFSA-N	1	0	370.453	1.135	20	30		FDEDRO
C#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2ccnn2C)CC1	ZINC001131483335	940638886	/nfs/dbraw/zinc/63/88/86/940638886.db2.gz	YXOYUXGQWHRDSD-QUCCMNQESA-N	1	0	358.486	1.709	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2cccc(C)c2=O)CC1	ZINC001131496338	940647523	/nfs/dbraw/zinc/64/75/23/940647523.db2.gz	WIWXXAAPDHRPKQ-QUCCMNQESA-N	1	0	371.481	1.166	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)C(=O)OC3)CC1	ZINC000808925114	940668233	/nfs/dbraw/zinc/66/82/33/940668233.db2.gz	XZMYJJLCBPNVCH-UHFFFAOYSA-N	1	0	357.410	1.452	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnc3n2CCC3)CC1	ZINC001131515303	940679660	/nfs/dbraw/zinc/67/96/60/940679660.db2.gz	CGXOEEOUXILCRG-APWZRJJASA-N	1	0	356.470	1.452	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1	ZINC001131515421	940680321	/nfs/dbraw/zinc/68/03/21/940680321.db2.gz	JJGARZITHWRPGF-MJGOQNOKSA-N	1	0	361.486	1.656	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1	ZINC001131516995	940683842	/nfs/dbraw/zinc/68/38/42/940683842.db2.gz	FBTSYNOJDSEKEX-MTNOOBJLSA-N	1	0	356.470	1.522	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@]2(C)CCNC(=O)C2)CC1	ZINC001131519322	940688307	/nfs/dbraw/zinc/68/83/07/940688307.db2.gz	KTSURHGZGUXUMI-IMFGXOCKSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCc2cc(C)no2)CC1	ZINC001131519654	940689430	/nfs/dbraw/zinc/68/94/30/940689430.db2.gz	UFFLROKFMUMZSA-MJGOQNOKSA-N	1	0	363.458	1.671	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2cnn(C)c2C)CC1	ZINC001131512128	940694216	/nfs/dbraw/zinc/69/42/16/940694216.db2.gz	ONBKYZFZIVZHAI-QUCCMNQESA-N	1	0	358.486	1.280	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCC(F)F)CC1	ZINC001131531757	940700938	/nfs/dbraw/zinc/70/09/38/940700938.db2.gz	GSYVYOZGRNLYSA-QAPCUYQASA-N	1	0	358.429	1.667	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCC(=O)NC2)CC1	ZINC001131522534	940705958	/nfs/dbraw/zinc/70/59/58/940705958.db2.gz	MEIZXKOHVJQXNB-LMMKCTJWSA-N	1	0	363.502	1.465	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(=O)Nc2ccccc2)CC1	ZINC001131526128	940710693	/nfs/dbraw/zinc/71/06/93/940710693.db2.gz	AAQNHUSSNKPUEL-MOPGFXCFSA-N	1	0	369.465	1.634	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2n[nH]c3c2CCC3)CC1	ZINC001131526293	940711174	/nfs/dbraw/zinc/71/11/74/940711174.db2.gz	KJJAPLQTLULDPT-MJGOQNOKSA-N	1	0	356.470	1.521	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)CC1	ZINC001131535417	940724747	/nfs/dbraw/zinc/72/47/47/940724747.db2.gz	BNBGUABUFCCQAM-ZRNYENFQSA-N	1	0	360.498	1.811	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@]2(COC)CCOC2)CC1	ZINC001131538331	940726344	/nfs/dbraw/zinc/72/63/44/940726344.db2.gz	LOMLWEMZBZKBIB-HBFSDRIKSA-N	1	0	364.486	1.049	20	30		FDEDRO
C=CCC1(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+][C@H](C)C(N)=O)CC2)CCC1	ZINC001131558275	940732766	/nfs/dbraw/zinc/73/27/66/940732766.db2.gz	RFMNXNYUPPGARB-OIISXLGYSA-N	1	0	363.502	1.592	20	30		FDEDRO
C=CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](CC)C(N)=O)CC1	ZINC001131558389	940733479	/nfs/dbraw/zinc/73/34/79/940733479.db2.gz	YIOPHPSOGRYCFO-NUJGCVRESA-N	1	0	351.491	1.592	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(C)co2)CC1	ZINC001131547878	940736880	/nfs/dbraw/zinc/73/68/80/940736880.db2.gz	HVZTWQMGZGNZMV-MJGOQNOKSA-N	1	0	360.454	1.837	20	30		FDEDRO
C[NH+](C)CCNC(=O)CC1SC(=Nc2cc(F)ccc2F)NC1=O	ZINC000809144073	940739626	/nfs/dbraw/zinc/73/96/26/940739626.db2.gz	CHHJRJJRKLWANG-GFCCVEGCSA-N	1	0	356.398	1.252	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCC)CC1	ZINC001131575378	940751960	/nfs/dbraw/zinc/75/19/60/940751960.db2.gz	VPYCQIMMDDNNAU-QYZOEREBSA-N	1	0	365.518	1.853	20	30		FDEDRO
C[C@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC#Cc2ccccc2)CC1	ZINC001131606872	940772645	/nfs/dbraw/zinc/77/26/45/940772645.db2.gz	KEEDTYLOFGCGNE-WEYGHZABSA-N	1	0	370.493	1.795	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ncc3n2CCCC3)CC1	ZINC001131604947	940774718	/nfs/dbraw/zinc/77/47/18/940774718.db2.gz	OSVGOPPZESXECL-MOPGFXCFSA-N	1	0	370.497	1.842	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C(C)=O)CC1	ZINC001131595458	940778358	/nfs/dbraw/zinc/77/83/58/940778358.db2.gz	XYDVGHOFFWISAF-QYZOEREBSA-N	1	0	363.502	1.559	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2Cc3cccnc3C2)CC1	ZINC001131599515	940782789	/nfs/dbraw/zinc/78/27/89/940782789.db2.gz	CPNAXBBHEPQERU-SBHAEUEKSA-N	1	0	367.493	1.805	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCc2cccnc2)CC1	ZINC001131600068	940784117	/nfs/dbraw/zinc/78/41/17/940784117.db2.gz	WMQCUGJBGDSKRR-QUCCMNQESA-N	1	0	359.470	1.770	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2ccc(C)nc2)CC1	ZINC001131606947	940786023	/nfs/dbraw/zinc/78/60/23/940786023.db2.gz	OPQKKUQUKKUWLR-CTNGQTDRSA-N	1	0	355.482	1.942	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCOC)CC1	ZINC001131610406	940790551	/nfs/dbraw/zinc/79/05/51/940790551.db2.gz	PDMGCECGIMUJNI-JQHSSLGASA-N	1	0	354.491	1.600	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1	ZINC000747560166	940833266	/nfs/dbraw/zinc/83/32/66/940833266.db2.gz	PZUDZWNYNQUTLT-INIZCTEOSA-N	1	0	370.457	1.051	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1C#N	ZINC000809501424	940844535	/nfs/dbraw/zinc/84/45/35/940844535.db2.gz	IZTGENUEYFGEHH-MRXNPFEDSA-N	1	0	372.469	1.277	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(CNS(C)(=O)=O)CC2)cc1	ZINC000809694090	940879367	/nfs/dbraw/zinc/87/93/67/940879367.db2.gz	JKNLJBNDALJWDC-AWEZNQCLSA-N	1	0	351.472	1.739	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1	ZINC000810842105	941067448	/nfs/dbraw/zinc/06/74/48/941067448.db2.gz	SPHLGGPHDVDKEZ-CVEARBPZSA-N	1	0	362.451	1.382	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1	ZINC000810845719	941067461	/nfs/dbraw/zinc/06/74/61/941067461.db2.gz	DCJUTIIUXDVQMD-HZPDHXFCSA-N	1	0	364.467	1.935	20	30		FDEDRO
C#CCNC(=S)C(C(=O)c1cccc(OC)n1)[n+]1ccc(N(C)C)cc1	ZINC000811726339	941155214	/nfs/dbraw/zinc/15/52/14/941155214.db2.gz	PWZUJGKZRHEDLG-UHFFFAOYSA-O	1	0	369.470	1.358	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnnn2CC)C1	ZINC001086698801	941169291	/nfs/dbraw/zinc/16/92/91/941169291.db2.gz	ATJINXPTDMWRPA-IDCNUPLLSA-N	1	0	361.490	1.654	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCOc3ccccc32)C1	ZINC001195228847	970784889	/nfs/dbraw/zinc/78/48/89/970784889.db2.gz	INLKKLJLQZHDBZ-CGTJXYLNSA-N	1	0	360.454	1.307	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N[C@@H]2CN(c3ccc(C#N)cn3)C[C@H]2O)CCCCC1	ZINC001090506662	941189427	/nfs/dbraw/zinc/18/94/27/941189427.db2.gz	MBMVTIHHFJWNFE-IAGOWNOFSA-N	1	0	371.485	1.131	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)NCc2ccc(Cl)cc2)CC1	ZINC000747820429	941274979	/nfs/dbraw/zinc/27/49/79/941274979.db2.gz	VSRIMWAKCCZVRZ-AWEZNQCLSA-N	1	0	361.873	1.806	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CCC(=O)Nc2ccc(C(C)=O)cc2)CC1	ZINC000747818546	941277065	/nfs/dbraw/zinc/27/70/65/941277065.db2.gz	VAEJHRSVKQEWBE-UHFFFAOYSA-N	1	0	355.438	1.679	20	30		FDEDRO
C#C[C@@H](NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(F)cc1	ZINC000812884693	941286648	/nfs/dbraw/zinc/28/66/48/941286648.db2.gz	XPGINNJISHREQD-NVXWUHKLSA-N	1	0	360.433	1.387	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(=O)[nH]c3ncn(C)c32)C1	ZINC001086715095	941486826	/nfs/dbraw/zinc/48/68/26/941486826.db2.gz	MZOOQJOEIWAECN-NWDGAFQWSA-N	1	0	363.849	1.915	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCCc2ccccc21	ZINC001134055105	941531470	/nfs/dbraw/zinc/53/14/70/941531470.db2.gz	ZQUIPFKDJZRVEY-AEFFLSMTSA-N	1	0	357.454	1.263	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1nc(CC)c(C)s1	ZINC001134052774	941539573	/nfs/dbraw/zinc/53/95/73/941539573.db2.gz	BEALZDVJFIGDSP-OCCSQVGLSA-N	1	0	366.487	1.249	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1cccc(Cl)c1	ZINC001134061665	941540315	/nfs/dbraw/zinc/54/03/15/941540315.db2.gz	BXJDRDHSSIYMOZ-CABCVRRESA-N	1	0	351.834	1.575	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1	ZINC001134080228	941549697	/nfs/dbraw/zinc/54/96/97/941549697.db2.gz	OERQLIOOBHNLEC-BHIYHBOVSA-N	1	0	355.482	1.804	20	30		FDEDRO
CCNc1nc(N=NC2CC[NH+](CC(C)(C)O)CC2)nc(NCC)n1	ZINC000814213305	941589200	/nfs/dbraw/zinc/58/92/00/941589200.db2.gz	HMAFFHYHHBGYOX-UHFFFAOYSA-N	1	0	350.471	1.370	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1	ZINC000747979447	941725386	/nfs/dbraw/zinc/72/53/86/941725386.db2.gz	HIZHCLHLBNMGET-SFHVURJKSA-N	1	0	356.470	1.460	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1cc(C(=O)OCC)ccc1F	ZINC000815082475	941777076	/nfs/dbraw/zinc/77/70/76/941777076.db2.gz	UEBLXJLCKKKIRN-UHFFFAOYSA-N	1	0	356.419	1.236	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1	ZINC000815082811	941777283	/nfs/dbraw/zinc/77/72/83/941777283.db2.gz	GOYDEBMXABAHGY-GFCCVEGCSA-N	1	0	357.501	1.179	20	30		FDEDRO
CN(C)C(=O)OC1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000815189002	941795808	/nfs/dbraw/zinc/79/58/08/941795808.db2.gz	DGWYTVWJKMRYPJ-INIZCTEOSA-N	1	0	361.442	1.655	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1	ZINC001135027006	941854173	/nfs/dbraw/zinc/85/41/73/941854173.db2.gz	KVYVFWRUFTXGQP-RBUKOAKNSA-N	1	0	371.481	1.705	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N[C@@H](C)c1ccco1	ZINC001135065038	941881375	/nfs/dbraw/zinc/88/13/75/941881375.db2.gz	SGJDTWPQNIFXSD-MPGHIAIKSA-N	1	0	363.458	1.534	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NCC(F)(F)F	ZINC001135067912	941883962	/nfs/dbraw/zinc/88/39/62/941883962.db2.gz	ROMUQIVLLXNKRE-AGIUHOORSA-N	1	0	365.396	1.131	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cnc[nH]c3=O)C2)cc1F	ZINC001086728340	941892717	/nfs/dbraw/zinc/89/27/17/941892717.db2.gz	YUJVOOGALLOPOU-SWLSCSKDSA-N	1	0	369.400	1.881	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N(C)Cc1cccs1	ZINC001135147943	941934999	/nfs/dbraw/zinc/93/49/99/941934999.db2.gz	UTKLVTPDJGIJBW-RDJZCZTQSA-N	1	0	365.499	1.394	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)C2CC3(C2)CS(=O)(=O)C3)C1	ZINC001086731390	941967497	/nfs/dbraw/zinc/96/74/97/941967497.db2.gz	JRQKZKKFXQANSR-GXTWGEPZSA-N	1	0	360.907	1.438	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1	ZINC000815861325	941997480	/nfs/dbraw/zinc/99/74/80/941997480.db2.gz	CJAWSNHSTXMYTK-UHFFFAOYSA-N	1	0	374.441	1.902	20	30		FDEDRO
COC(=O)C[C@](C)([NH2+]CCC(=O)N(C)CCC#N)c1cccc(OC)c1	ZINC001170813360	942070190	/nfs/dbraw/zinc/07/01/90/942070190.db2.gz	LCYCEVQWKSQOBN-IBGZPJMESA-N	1	0	361.442	1.825	20	30		FDEDRO
C#CCCCS(=O)(=O)N1CCC[N@H+](Cc2ccccc2)CCOCC1	ZINC001195371773	970895575	/nfs/dbraw/zinc/89/55/75/970895575.db2.gz	YWBKEPXSBGINRU-UHFFFAOYSA-N	1	0	364.511	1.954	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(=O)cn3)C2)c1	ZINC001086788396	942522632	/nfs/dbraw/zinc/52/26/32/942522632.db2.gz	MLZGVDHAKNQOCQ-DZGCQCFKSA-N	1	0	369.400	1.469	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(OC)nn3)C2)c1	ZINC001086798298	942634604	/nfs/dbraw/zinc/63/46/04/942634604.db2.gz	GVADRIFQPUKOHY-DOTOQJQBSA-N	1	0	365.437	1.550	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3[nH]c(C)nc3C)C2)C1=O	ZINC001086805321	942778127	/nfs/dbraw/zinc/77/81/27/942778127.db2.gz	KLFXCYAFJSOJMQ-XHSDSOJGSA-N	1	0	359.474	1.302	20	30		FDEDRO
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]([NH3+])CCCC#N	ZINC000818214980	943198820	/nfs/dbraw/zinc/19/88/20/943198820.db2.gz	SWEOFRMBZVHICJ-CYBMUJFWSA-N	1	0	353.806	1.568	20	30		FDEDRO
C[NH2+]C[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1	ZINC000818499077	943256503	/nfs/dbraw/zinc/25/65/03/943256503.db2.gz	IHMICNVYOYIJAF-WGBIJJAVSA-N	1	0	352.460	1.293	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C1(NC(=O)NCc2ccccc2)CCCC1	ZINC000818588682	943297877	/nfs/dbraw/zinc/29/78/77/943297877.db2.gz	BDZQPFVIAFHQNJ-UHFFFAOYSA-N	1	0	370.497	1.870	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2	ZINC000818603316	943328868	/nfs/dbraw/zinc/32/88/68/943328868.db2.gz	XYNLGBPWWVVBAW-UHFFFAOYSA-N	1	0	359.514	1.780	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CCNS(=O)(=O)/C=C/c1ccccc1	ZINC000818609468	943330906	/nfs/dbraw/zinc/33/09/06/943330906.db2.gz	YVNCMAQNNXEOHF-LFIBNONCSA-N	1	0	363.483	1.038	20	30		FDEDRO
Cc1cc2ncn(C[C@@H](O)C[NH2+]CCNc3ccc(C#N)cn3)c2cc1C	ZINC000818951886	943361203	/nfs/dbraw/zinc/36/12/03/943361203.db2.gz	AJRCLXCCBQMBGP-KRWDZBQOSA-N	1	0	364.453	1.982	20	30		FDEDRO
CC(=O)c1cccc(OC[C@H](O)C[NH2+]CCNc2ccc(C#N)cn2)c1	ZINC000818952124	943361899	/nfs/dbraw/zinc/36/18/99/943361899.db2.gz	DZLSRWNBVPKQMK-QGZVFWFLSA-N	1	0	354.410	1.597	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1	ZINC000819005048	943382289	/nfs/dbraw/zinc/38/22/89/943382289.db2.gz	JCYIZIJWTLUIGI-UHFFFAOYSA-N	1	0	365.437	1.632	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]CCCN1CCN(c2ccccc2Cl)CC1	ZINC000818976480	943390409	/nfs/dbraw/zinc/39/04/09/943390409.db2.gz	GVHLICLUUGWRLI-UHFFFAOYSA-N	1	0	362.905	1.581	20	30		FDEDRO
O=C(NCC[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)C1N=CC=CC1=O	ZINC000819049448	943394748	/nfs/dbraw/zinc/39/47/48/943394748.db2.gz	KBLYVNUAFGTXSB-BSZDNMLHSA-N	1	0	369.343	1.855	20	30		FDEDRO
CCc1cccc(OC[C@H](O)C[NH2+]CCNC(=O)C2N=CC=CC2=O)c1	ZINC000819055830	943397173	/nfs/dbraw/zinc/39/71/73/943397173.db2.gz	XZCQJIKNGMFSKU-RAJOGRCSSA-N	1	0	359.426	1.105	20	30		FDEDRO
CS(=O)(=O)c1ccc(OCC[NH2+]C[C@@H](O)c2ccc(C#N)cc2)cc1	ZINC000819026255	943406749	/nfs/dbraw/zinc/40/67/49/943406749.db2.gz	DSRLPDVMHSTKEL-GOSISDBHSA-N	1	0	360.435	1.664	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCSc2nccs2)nc1	ZINC000819064464	943426993	/nfs/dbraw/zinc/42/69/93/943426993.db2.gz	YMDOZTIRCAXEPQ-UHFFFAOYSA-N	1	0	368.509	1.955	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC[C@@H]3CCCO3)C2)nn1	ZINC001086825022	943437942	/nfs/dbraw/zinc/43/79/42/943437942.db2.gz	MRNPTUOHNOIZDC-BBWFWOEESA-N	1	0	361.490	1.911	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1	ZINC000819164672	943456601	/nfs/dbraw/zinc/45/66/01/943456601.db2.gz	XMLAHRKGYVVMRB-ZFWWWQNUSA-N	1	0	350.463	1.926	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000819254838	943484739	/nfs/dbraw/zinc/48/47/39/943484739.db2.gz	YPCBNWBLRZABJK-BZUAXINKSA-N	1	0	354.495	1.618	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH2+]C[C@@H](O)c3ccc(F)cn3)C2=O)cc1	ZINC000819219134	943492029	/nfs/dbraw/zinc/49/20/29/943492029.db2.gz	YARMXYYUJYPOIL-ZWKOTPCHSA-N	1	0	354.385	1.911	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl	ZINC000819223212	943495700	/nfs/dbraw/zinc/49/57/00/943495700.db2.gz	YEUSLVHBIFVILG-LBPRGKRZSA-N	1	0	368.282	1.924	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1	ZINC000819224497	943496202	/nfs/dbraw/zinc/49/62/02/943496202.db2.gz	GICZNBOFTZWWRL-QFBILLFUSA-N	1	0	368.522	1.820	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1	ZINC000819234387	943501289	/nfs/dbraw/zinc/50/12/89/943501289.db2.gz	YKKVQJGWXJKDMX-AWEZNQCLSA-N	1	0	367.371	1.535	20	30		FDEDRO
C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CN(C)CCC#N)CCN1C(=O)OC(C)(C)C	ZINC000819268789	943520329	/nfs/dbraw/zinc/52/03/29/943520329.db2.gz	UZJOPCHBGNHJDJ-PMPSAXMXSA-N	1	0	354.495	1.570	20	30		FDEDRO
COc1cc(C[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)ccc1C#N	ZINC000819323319	943527307	/nfs/dbraw/zinc/52/73/07/943527307.db2.gz	ZKVTVIPMWFLYJJ-KRWDZBQOSA-N	1	0	360.435	1.794	20	30		FDEDRO
COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@H]3CC[C@@H](CC#N)C3)CC2)cc1	ZINC000819343435	943534312	/nfs/dbraw/zinc/53/43/12/943534312.db2.gz	LBLMPXQZBSSNTR-BJLQDIEVSA-N	1	0	372.513	1.850	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]C1CCN(Cc2ccc(NC(C)=O)cc2)CC1	ZINC000819350751	943538157	/nfs/dbraw/zinc/53/81/57/943538157.db2.gz	UFANZOKKCBEDOT-UHFFFAOYSA-N	1	0	356.470	1.339	20	30		FDEDRO
CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]Cc1ccc(C#N)c(F)c1	ZINC000819357279	943540472	/nfs/dbraw/zinc/54/04/72/943540472.db2.gz	OVBVCHDCLJKHDP-UHFFFAOYSA-N	1	0	356.419	1.543	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)C1	ZINC000819358774	943541243	/nfs/dbraw/zinc/54/12/43/943541243.db2.gz	PWLQLFZRWCVVMA-DLBZAZTESA-N	1	0	361.442	1.817	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1	ZINC001086826681	943564776	/nfs/dbraw/zinc/56/47/76/943564776.db2.gz	CLVQAPGIOPLILG-NFBUACBFSA-N	1	0	373.497	1.741	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N2C(C)C)C1	ZINC001195573876	971046131	/nfs/dbraw/zinc/04/61/31/971046131.db2.gz	XSFNLFNVTMFMLO-IXDOHACOSA-N	1	0	351.491	1.294	20	30		FDEDRO
Cn1ccnc1[C@H](NCC(=O)NCc1cccc(C#N)c1)C(C)(C)CO	ZINC001195578651	971048587	/nfs/dbraw/zinc/04/85/87/971048587.db2.gz	RRYCVSDPOPHTKY-KRWDZBQOSA-N	1	0	355.442	1.257	20	30		FDEDRO
C#C[C@@H](NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c1ccc(Cl)cc1	ZINC000820552361	944095066	/nfs/dbraw/zinc/09/50/66/944095066.db2.gz	IJLQTUWQSOKHQX-MRXNPFEDSA-N	1	0	364.877	1.676	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC000821336223	944425996	/nfs/dbraw/zinc/42/59/96/944425996.db2.gz	UJPJXYSDYYITEZ-INIZCTEOSA-N	1	0	361.417	1.901	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(OC)nn2)C1	ZINC001086846033	944498040	/nfs/dbraw/zinc/49/80/40/944498040.db2.gz	HADJTDOVEOURRN-NWDGAFQWSA-N	1	0	369.263	1.882	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1	ZINC000856354676	971090625	/nfs/dbraw/zinc/09/06/25/971090625.db2.gz	JFEVCVICMYQKPD-DVSFIDLUSA-N	1	0	368.437	1.294	20	30		FDEDRO
C#C[C@H](NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1)[C@@H]1CCCO1	ZINC000822074385	944850266	/nfs/dbraw/zinc/85/02/66/944850266.db2.gz	XFRFBXGLYLLUAS-YOEHRIQHSA-N	1	0	356.426	1.214	20	30		FDEDRO
C[NH+](C)CCCC(=O)N[C@@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@H]1O	ZINC001195691150	971138719	/nfs/dbraw/zinc/13/87/19/971138719.db2.gz	IQJSWUZUGOYKSK-QZTJIDSGSA-N	1	0	363.889	1.195	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)c1ccncc1	ZINC000805813495	945470261	/nfs/dbraw/zinc/47/02/61/945470261.db2.gz	JTPXTEIDJVHYDH-ZWKOTPCHSA-N	1	0	374.485	1.384	20	30		FDEDRO
CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000823131642	945512737	/nfs/dbraw/zinc/51/27/37/945512737.db2.gz	TZNPOVMIAXDVPA-RTBURBONSA-N	1	0	372.469	1.486	20	30		FDEDRO
C#C[C@H](NC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCOCC1	ZINC000823181817	945523209	/nfs/dbraw/zinc/52/32/09/945523209.db2.gz	OYMCCIXNSBCESI-FPOVZHCZSA-N	1	0	371.481	1.351	20	30		FDEDRO
C#C[C@H](NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)C1CCOCC1	ZINC000823186088	945530224	/nfs/dbraw/zinc/53/02/24/945530224.db2.gz	IMMZQRSXSGYHJP-SFHVURJKSA-N	1	0	350.507	1.082	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1cc(S(C)(=O)=O)ncc1Cl	ZINC000823735712	945943009	/nfs/dbraw/zinc/94/30/09/945943009.db2.gz	FXGPQOHWACZUPD-UHFFFAOYSA-N	1	0	372.878	1.446	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)CCCC[NH+]1CCCC1	ZINC001090731338	946030243	/nfs/dbraw/zinc/03/02/43/946030243.db2.gz	WBGNBNFIHGMYCC-NVXWUHKLSA-N	1	0	356.474	1.555	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2ccc(Cl)cc2)C1	ZINC001195814027	971213372	/nfs/dbraw/zinc/21/33/72/971213372.db2.gz	GYAXYILNMQJVAD-IAOVAPTHSA-N	1	0	352.862	1.807	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1sc(CC)cc1C(=O)OC	ZINC000824550181	946532562	/nfs/dbraw/zinc/53/25/62/946532562.db2.gz	AGOFMBXOYWAUEH-UHFFFAOYSA-N	1	0	365.455	1.107	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)C1	ZINC001573283683	946722005	/nfs/dbraw/zinc/72/20/05/946722005.db2.gz	USQOFRBUBFFNKH-OAHLLOKOSA-N	1	0	367.457	1.392	20	30		FDEDRO
C#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1	ZINC001573283710	946723863	/nfs/dbraw/zinc/72/38/63/946723863.db2.gz	VCXXOARXZGOFTB-KGLIPLIRSA-N	1	0	353.430	1.002	20	30		FDEDRO
C#CCCCCCC(=O)N(C)[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1	ZINC001573283834	946727741	/nfs/dbraw/zinc/72/77/41/946727741.db2.gz	YQXATYARRKEOFY-AWEZNQCLSA-N	1	0	355.446	1.526	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21	ZINC001573284089	946735207	/nfs/dbraw/zinc/73/52/07/946735207.db2.gz	RESOKBZDBYSNJA-HWWDLCQESA-N	1	0	368.416	1.356	20	30		FDEDRO
C#CCCCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1	ZINC001573284713	946755491	/nfs/dbraw/zinc/75/54/91/946755491.db2.gz	JRKZAFPTOMVSTL-OAHLLOKOSA-N	1	0	370.432	1.890	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1C	ZINC001573285651	946785613	/nfs/dbraw/zinc/78/56/13/946785613.db2.gz	ZZDWXFHJMAXEBU-HIFRSBDPSA-N	1	0	370.432	1.888	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c3ncccc13)C2	ZINC001110108703	946904185	/nfs/dbraw/zinc/90/41/85/946904185.db2.gz	FXYLPNOAKZEPSK-OMNBBPDLSA-N	1	0	367.453	1.589	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CC1	ZINC001573557959	946934098	/nfs/dbraw/zinc/93/40/98/946934098.db2.gz	CXXJFLYYWIONCF-ZBEGNZNMSA-N	1	0	371.420	1.492	20	30		FDEDRO
C=C(Br)C[NH2+][C@H](C)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573292508	946935440	/nfs/dbraw/zinc/93/54/40/946935440.db2.gz	WTNRBFRCWLLQTH-SECBINFHSA-N	1	0	368.239	1.154	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1CC[C@@H]([C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573293088	946947911	/nfs/dbraw/zinc/94/79/11/946947911.db2.gz	LWXHKXDBIOSXDD-UONOGXRCSA-N	1	0	369.473	1.935	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573560856	946958017	/nfs/dbraw/zinc/95/80/17/946958017.db2.gz	HNEFTNLGCFWCCS-PKSQDBQZSA-N	1	0	357.393	1.244	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC001573561863	946968287	/nfs/dbraw/zinc/96/82/87/946968287.db2.gz	NZLHNGQNKZENIW-ZDUSSCGKSA-N	1	0	353.430	1.449	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC([N@H+](C)Cc2ccccc2-c2nn[nH]n2)CC1	ZINC001573564188	946992977	/nfs/dbraw/zinc/99/29/77/946992977.db2.gz	HNURAVFSDSLQBE-ZDUSSCGKSA-N	1	0	353.430	1.449	20	30		FDEDRO
C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CCN(C(=O)[C@@H](C)C#N)CC1	ZINC001573564769	946997362	/nfs/dbraw/zinc/99/73/62/946997362.db2.gz	KLLDZVCHKBVJHA-UONOGXRCSA-N	1	0	367.457	1.743	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1	ZINC001573296108	947041092	/nfs/dbraw/zinc/04/10/92/947041092.db2.gz	ZKFXNQSNAAGFAR-RYUDHWBXSA-N	1	0	363.853	1.778	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCCCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573567309	947043419	/nfs/dbraw/zinc/04/34/19/947043419.db2.gz	LUQGSADLTYUNLK-STQMWFEESA-N	1	0	354.418	1.026	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573567477	947047518	/nfs/dbraw/zinc/04/75/18/947047518.db2.gz	NPVCPZUNPRYGKP-XJKSGUPXSA-N	1	0	353.430	1.497	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573568018	947061394	/nfs/dbraw/zinc/06/13/94/947061394.db2.gz	WMLJMNXXJBVCIM-QWHCGFSZSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573568112	947065045	/nfs/dbraw/zinc/06/50/45/947065045.db2.gz	XYWDEHGHBZYVTA-OCCSQVGLSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[NH+]=C(NCC(=O)N1CCCC1)N1CCN(c2cccc(Cl)c2)CC1	ZINC000114061697	947071704	/nfs/dbraw/zinc/07/17/04/947071704.db2.gz	JWWNMAKAWCJJDM-UHFFFAOYSA-N	1	0	363.893	1.660	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)CC[C@@H]2C1	ZINC001573569558	947074171	/nfs/dbraw/zinc/07/41/71/947074171.db2.gz	BHPXOLJDYKBIOK-UPJWGTAASA-N	1	0	371.470	1.368	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(C)(C)C	ZINC001573572259	947111531	/nfs/dbraw/zinc/11/15/31/947111531.db2.gz	GLIWJBZLZAOAGV-DOMZBBRYSA-N	1	0	355.446	1.647	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1	ZINC001573572722	947115763	/nfs/dbraw/zinc/11/57/63/947115763.db2.gz	JNCUYGVEULYJQE-QGLTVNCISA-N	1	0	371.420	1.682	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(C)(C)C	ZINC001573573010	947117891	/nfs/dbraw/zinc/11/78/91/947117891.db2.gz	KYUCXMSLMSPABN-SWLSCSKDSA-N	1	0	355.446	1.647	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC1(C[NH2+]Cc2ccccc2-c2nn[nH]n2)CCCC1	ZINC001573574414	947130367	/nfs/dbraw/zinc/13/03/67/947130367.db2.gz	RRNNZFDCMNSXMY-ZDUSSCGKSA-N	1	0	353.430	1.545	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C1CC1	ZINC001573578009	947178272	/nfs/dbraw/zinc/17/82/72/947178272.db2.gz	XEIGYTKXCXKQKK-BONVTDFDSA-N	1	0	357.393	1.150	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573309710	947207888	/nfs/dbraw/zinc/20/78/88/947207888.db2.gz	NFOWKYQAJWXCEV-UGSOOPFHSA-N	1	0	358.446	1.130	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H](C)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573310398	947223850	/nfs/dbraw/zinc/22/38/50/947223850.db2.gz	XJQYYDGPBOCWTE-ORAYPTAESA-N	1	0	370.457	1.130	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)NCCN(CCC)c1cc(C)[nH+]cc1-c1nn[nH]n1	ZINC001573310584	947225242	/nfs/dbraw/zinc/22/52/42/947225242.db2.gz	YGBBCIOMOGTTNR-GOSISDBHSA-N	1	0	373.461	1.230	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001573585787	947267539	/nfs/dbraw/zinc/26/75/39/947267539.db2.gz	WKICVINKZKEMMS-APHBMKBZSA-N	1	0	353.430	1.543	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573586189	947279464	/nfs/dbraw/zinc/27/94/64/947279464.db2.gz	LKDVEOXGXQZGQM-MWNCTCPHSA-N	1	0	351.414	1.248	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCc2nnc[nH]2)C[C@H]1c1ccc(OC)cc1	ZINC001090867242	947369764	/nfs/dbraw/zinc/36/97/64/947369764.db2.gz	FKBPLOUMRRJNID-DLBZAZTESA-N	1	0	355.442	1.516	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2[NH2+]CCO)cc1	ZINC001090869245	947383525	/nfs/dbraw/zinc/38/35/25/947383525.db2.gz	UJFJMXAWTZRRPZ-ZWKOTPCHSA-N	1	0	354.410	1.085	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1	ZINC001573334172	947449534	/nfs/dbraw/zinc/44/95/34/947449534.db2.gz	ADUQMAYIOXLYLG-GOSISDBHSA-N	1	0	355.446	1.699	20	30		FDEDRO
C=CCCCC(=O)N1CC[C@H](C)[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573334391	947453924	/nfs/dbraw/zinc/45/39/24/947453924.db2.gz	MPPDTNJSOVGKQF-LSDHHAIUSA-N	1	0	369.473	1.936	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1c1ccc(OC)cc1	ZINC001090874974	947485653	/nfs/dbraw/zinc/48/56/53/947485653.db2.gz	YJQGXGIOJHGNAO-ZWKOTPCHSA-N	1	0	360.429	1.731	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)nnc2C)C[C@H]1c1ccc(OC)cc1	ZINC001090872470	947500914	/nfs/dbraw/zinc/50/09/14/947500914.db2.gz	LKVHQRWHPKQNAD-VQTJNVASSA-N	1	0	364.449	1.933	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccn(CC)n2)C[C@H]1c1ccc(OC)cc1	ZINC001090872601	947502617	/nfs/dbraw/zinc/50/26/17/947502617.db2.gz	OJWHEHOOXQUYMU-VQTJNVASSA-N	1	0	366.465	1.672	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573337105	947514181	/nfs/dbraw/zinc/51/41/81/947514181.db2.gz	UOLUIMNTMWDGCL-CQSZACIVSA-N	1	0	371.445	1.139	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cnc(C)o2)C[C@H]1c1ccc(OC)cc1	ZINC001090874155	947522229	/nfs/dbraw/zinc/52/22/29/947522229.db2.gz	COSCHBVIZLLIMT-RBUKOAKNSA-N	1	0	353.422	1.752	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H]1c1ccc(OC)cc1	ZINC001090874539	947529303	/nfs/dbraw/zinc/52/93/03/947529303.db2.gz	FHGHCJSIZICENS-PKOBYXMFSA-N	1	0	364.449	1.738	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090875820	947551160	/nfs/dbraw/zinc/55/11/60/947551160.db2.gz	ILJNCNXKEWIMBS-UEXGIBASSA-N	1	0	371.481	1.682	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2C)C[C@H]1c1ccc(OC)cc1	ZINC001090877003	947564812	/nfs/dbraw/zinc/56/48/12/947564812.db2.gz	GIAULRNQXOMIGS-NZSAHSFTSA-N	1	0	371.481	1.776	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H]([NH2+]CC(N)=O)C1	ZINC001090879445	947575066	/nfs/dbraw/zinc/57/50/66/947575066.db2.gz	LZVDNVUGMRQZRJ-QKLQHJQFSA-N	1	0	359.470	1.667	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2csc(=O)[nH]2)C[C@H]1c1ccc(OC)cc1	ZINC001090878508	947615833	/nfs/dbraw/zinc/61/58/33/947615833.db2.gz	RTQUYLLBVFJPEP-LSDHHAIUSA-N	1	0	357.435	1.688	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3ccc(OC)cc3)[C@H]([NH2+]CCO)C2)cn1	ZINC001090884298	947638602	/nfs/dbraw/zinc/63/86/02/947638602.db2.gz	JCOMJQPRFKUOGO-VQTJNVASSA-N	1	0	365.433	1.262	20	30		FDEDRO
CC#CC[NH+]1CCC(C2(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)CC1	ZINC001573358944	947674316	/nfs/dbraw/zinc/67/43/16/947674316.db2.gz	RZVQSGDMOVPLQN-UHFFFAOYSA-N	1	0	353.430	1.193	20	30		FDEDRO
CO[C@@H]1CN(c2nc(C)ccc2C#N)C[C@H]1NC(=O)CCC[NH+]1CCCC1	ZINC001090892378	947746868	/nfs/dbraw/zinc/74/68/68/947746868.db2.gz	KQXRCQBBACDYAT-QZTJIDSGSA-N	1	0	371.485	1.458	20	30		FDEDRO
CO[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+]1CCCC1	ZINC001090892534	947749084	/nfs/dbraw/zinc/74/90/84/947749084.db2.gz	SYTJRWKFQWCGSX-BHIYHBOVSA-N	1	0	371.485	1.393	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1OC	ZINC001090905284	947908236	/nfs/dbraw/zinc/90/82/36/947908236.db2.gz	QMJWBRFRWIEZOA-HZPDHXFCSA-N	1	0	363.437	1.144	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@H]1OC	ZINC001090924458	947934054	/nfs/dbraw/zinc/93/40/54/947934054.db2.gz	IIDKJASRSFJVKD-HZPDHXFCSA-N	1	0	359.474	1.312	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@H+]2CCCC[C@H]2CC(=O)OC(C)(C)C)CC1	ZINC000844423813	948048750	/nfs/dbraw/zinc/04/87/50/948048750.db2.gz	ATNUIJQTRBTWAQ-KRWDZBQOSA-N	1	0	363.502	1.350	20	30		FDEDRO
CO[C@@H]1CN(c2cc(C)ncc2C#N)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C	ZINC001090948786	948082553	/nfs/dbraw/zinc/08/25/53/948082553.db2.gz	DKRKANLDXNSWKO-YQVWRLOYSA-N	1	0	371.485	1.456	20	30		FDEDRO
N#Cc1cncc(C[N@H+]2C[C@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)c1	ZINC001144074878	948187405	/nfs/dbraw/zinc/18/74/05/948187405.db2.gz	HTIMZQLPNUQBPW-GOSISDBHSA-N	1	0	370.453	1.041	20	30		FDEDRO
C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@H+](Cc1cncc(C#N)c1)C2	ZINC001144074816	948187484	/nfs/dbraw/zinc/18/74/84/948187484.db2.gz	FRTURLWFCSCYLK-HXUWFJFHSA-N	1	0	353.470	1.636	20	30		FDEDRO
N#Cc1cncc(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cnccn2)C3)c1	ZINC001144080021	948200069	/nfs/dbraw/zinc/20/00/69/948200069.db2.gz	ARJVGCLNYRORKJ-HXUWFJFHSA-N	1	0	362.437	1.872	20	30		FDEDRO
CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3cncc(C#N)c3)CC[C@@H]21	ZINC001144080165	948200626	/nfs/dbraw/zinc/20/06/26/948200626.db2.gz	WXNUZQBILTXMNW-AABGKKOBSA-N	1	0	364.453	1.661	20	30		FDEDRO
C#CCN1CCN(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2=O)CC1	ZINC000844682305	948306531	/nfs/dbraw/zinc/30/65/31/948306531.db2.gz	FBKUKYWPDSXRIA-SFTDATJTSA-N	1	0	366.509	1.175	20	30		FDEDRO
Cn1c(CC#N)nn(CN2CC[N@H+](C)C[C@H]2Cc2ccccc2)c1=S	ZINC000844739442	948380208	/nfs/dbraw/zinc/38/02/08/948380208.db2.gz	DTOJAILWGWPPIZ-MRXNPFEDSA-N	1	0	356.499	1.833	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-c3ncon3)c2)C1	ZINC001196144552	971478226	/nfs/dbraw/zinc/47/82/26/971478226.db2.gz	ABLLUBWHNJAYRI-IAOVAPTHSA-N	1	0	356.426	1.866	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1Nc1ccc(C#N)nn1	ZINC001091010099	948436407	/nfs/dbraw/zinc/43/64/07/948436407.db2.gz	RWABDNLUHDQYAD-RHSMWYFYSA-N	1	0	365.441	1.529	20	30		FDEDRO
CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCC(C)(C)N1CC[NH+](C)CC1	ZINC000844868997	948453940	/nfs/dbraw/zinc/45/39/40/948453940.db2.gz	OTLWGRPJEJZVDN-GOSISDBHSA-N	1	0	373.501	1.259	20	30		FDEDRO
CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1	ZINC000844927847	948510696	/nfs/dbraw/zinc/51/06/96/948510696.db2.gz	QJLDCHOBCFPFOZ-RTBURBONSA-N	1	0	356.470	1.406	20	30		FDEDRO
CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1	ZINC000844927846	948510919	/nfs/dbraw/zinc/51/09/19/948510919.db2.gz	QJLDCHOBCFPFOZ-RBUKOAKNSA-N	1	0	356.470	1.406	20	30		FDEDRO
CC[C@H](C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O)[NH+](CC)CC	ZINC001196115494	971486225	/nfs/dbraw/zinc/48/62/25/971486225.db2.gz	PDDBVIQZDNPCNM-VAMGGRTRSA-N	1	0	357.498	1.320	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]21	ZINC001091047658	948637317	/nfs/dbraw/zinc/63/73/17/948637317.db2.gz	IIKSBSMWPBNLOG-DLBZAZTESA-N	1	0	357.458	1.101	20	30		FDEDRO
C[N@H+](CC(=O)N1CCO[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]21)CC(C)(C)C	ZINC001091061385	948845317	/nfs/dbraw/zinc/84/53/17/948845317.db2.gz	VFEGACNVIRONIA-ZWKOTPCHSA-N	1	0	371.485	1.347	20	30		FDEDRO
C=C(C)CONC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1	ZINC000845598255	949690808	/nfs/dbraw/zinc/69/08/08/949690808.db2.gz	NTFSIGLVYKBOJI-UHFFFAOYSA-N	1	0	362.474	1.966	20	30		FDEDRO
C=C[C@H](C)ONC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000845635490	949719335	/nfs/dbraw/zinc/71/93/35/949719335.db2.gz	HABRKSFZWWKBGU-WMLDXEAASA-N	1	0	360.458	1.689	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](c2cccc(C(=O)N3CCN(C(=O)CC#N)CC3)c2)C1	ZINC000857152992	971608473	/nfs/dbraw/zinc/60/84/73/971608473.db2.gz	LVCNQOUAXYGEMR-GOSISDBHSA-N	1	0	354.454	1.694	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)OC[C@@H]2CC[N@H+](C)[C@@H]2C)c1	ZINC000845809418	949918554	/nfs/dbraw/zinc/91/85/54/949918554.db2.gz	AXXCSJZNCVBULI-HIFRSBDPSA-N	1	0	352.456	1.648	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)NC[C@@H](C)[NH+]1CCCCC1	ZINC000845826571	949996662	/nfs/dbraw/zinc/99/66/62/949996662.db2.gz	VXVDZNPYEOESRG-CYBMUJFWSA-N	1	0	365.455	1.498	20	30		FDEDRO
N#Cc1cncc(N2CCC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC2)n1	ZINC001066803011	1013099880	/nfs/dbraw/zinc/09/98/80/1013099880.db2.gz	XZTZPDOACRTGOM-BPLDGKMQSA-N	1	0	351.414	1.350	20	30		FDEDRO
C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1ccc(C#N)cc1	ZINC001574739368	950190606	/nfs/dbraw/zinc/19/06/06/950190606.db2.gz	ODJJFNBKEIXGHM-LBPRGKRZSA-N	1	0	364.413	1.317	20	30		FDEDRO
CC[C@H](C(=O)N[C@@H]1CN(c2snc(C)c2C#N)C[C@@H]1O)[NH+](CC)CC	ZINC001091180084	950260144	/nfs/dbraw/zinc/26/01/44/950260144.db2.gz	ABVASBPNFSMPHD-KFWWJZLASA-N	1	0	365.503	1.109	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1	ZINC000857234762	971663698	/nfs/dbraw/zinc/66/36/98/971663698.db2.gz	MHLAEUDLEDKGDM-NSHDSACASA-N	1	0	357.398	1.191	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCCO[C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1	ZINC000857235872	971663837	/nfs/dbraw/zinc/66/38/37/971663837.db2.gz	BLRRKOREVVRFLD-CABCVRRESA-N	1	0	355.479	1.903	20	30		FDEDRO
C[C@@H](CN(C)C(=O)c1ccc(C#N)[nH]1)[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001574753757	950538927	/nfs/dbraw/zinc/53/89/27/950538927.db2.gz	RKAHGLFVIXHPHY-LBPRGKRZSA-N	1	0	364.413	1.317	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1	ZINC001196444844	971673618	/nfs/dbraw/zinc/67/36/18/971673618.db2.gz	BTPOXTQOPPOIHP-IAGOWNOFSA-N	1	0	358.442	1.790	20	30		FDEDRO
C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@@H]2COC[C@H](C(=O)N3CCCO3)[C@@H]2C1	ZINC001171216452	950583857	/nfs/dbraw/zinc/58/38/57/950583857.db2.gz	ITOCUNWUYQGHRL-OBZTUIKSSA-N	1	0	369.465	1.848	20	30		FDEDRO
O=C(C#CC1CC1)NCCN(CC[NH+]1CCCCCC1)C(=O)C#CC1CC1	ZINC000846143930	950625071	/nfs/dbraw/zinc/62/50/71/950625071.db2.gz	IZYRJUHQOSQALG-UHFFFAOYSA-N	1	0	369.509	1.634	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C)CC[NH+]1CCCCC1	ZINC000846205361	950638122	/nfs/dbraw/zinc/63/81/22/950638122.db2.gz	GFSWGKDJCBIZQN-UHFFFAOYSA-N	1	0	361.417	1.721	20	30		FDEDRO
N#Cc1ccc(C2CC[NH+](C[C@](O)(C(N)=O)c3ccccc3)CC2)nc1	ZINC001196419023	971686902	/nfs/dbraw/zinc/68/69/02/971686902.db2.gz	IXLVOOMUIWNBFL-HXUWFJFHSA-N	1	0	350.422	1.506	20	30		FDEDRO
C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C#CC1CC1	ZINC001574520570	950740149	/nfs/dbraw/zinc/74/01/49/950740149.db2.gz	UTLGKMXWFZNDHM-QWHCGFSZSA-N	1	0	370.432	1.792	20	30		FDEDRO
CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1	ZINC000846242421	950777809	/nfs/dbraw/zinc/77/78/09/950777809.db2.gz	YPBBMXQWAJAGIK-GOSISDBHSA-N	1	0	374.485	1.096	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1	ZINC000846329374	950868411	/nfs/dbraw/zinc/86/84/11/950868411.db2.gz	GXNFLKVGHZCIKM-GBESFXJTSA-N	1	0	369.465	1.029	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NC2CC(C[NH2+]Cc3cccc(C#N)c3)C2)O1	ZINC000961990544	1013108468	/nfs/dbraw/zinc/10/84/68/1013108468.db2.gz	KGHJCTKQYDKLSH-YOODTLSXSA-N	1	0	356.470	1.262	20	30		FDEDRO
CC[C@H](C(=O)N1CC[C@H]2CCN(c3ccnc(C#N)n3)[C@H]2C1)[NH+](CC)CC	ZINC001091229751	951119161	/nfs/dbraw/zinc/11/91/61/951119161.db2.gz	CIBQTINSHWDLIG-BBWFWOEESA-N	1	0	370.501	1.896	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCC1CC([NH2+]Cc2cccc(C#N)c2)C1	ZINC001091235306	951172043	/nfs/dbraw/zinc/17/20/43/951172043.db2.gz	VXDIVGQGXUVSJA-ZGUYJTEBSA-N	1	0	354.454	1.267	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2nnc(C3CC3)[nH]2)C1	ZINC001091278689	951295794	/nfs/dbraw/zinc/29/57/94/951295794.db2.gz	YWHBWYFNRDSGMX-WYUQMZMFSA-N	1	0	359.474	1.648	20	30		FDEDRO
CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1	ZINC000846659382	951425988	/nfs/dbraw/zinc/42/59/88/951425988.db2.gz	MXJHULSTTUAZIT-MOPGFXCFSA-N	1	0	359.470	1.843	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[C@]2(C)C[C@@]2(F)Cl)CC1	ZINC000846727762	951498909	/nfs/dbraw/zinc/49/89/09/951498909.db2.gz	BPEVNQCRDBNLBN-SJORKVTESA-N	1	0	359.873	1.964	20	30		FDEDRO
CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)NCCCC[N@H+](C)C1CC1	ZINC000846742433	951549138	/nfs/dbraw/zinc/54/91/38/951549138.db2.gz	YVOYZCJAWYWWDD-GOSISDBHSA-N	1	0	372.469	1.041	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCc2cc(O[C@@H]3CCN(CC#N)C3)ccn2)CC[N@@H+]1C	ZINC001091399569	951570067	/nfs/dbraw/zinc/57/00/67/951570067.db2.gz	ACWAUGYISBRYNI-ZTFGCOKTSA-N	1	0	357.458	1.015	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+](C)C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)C1=O	ZINC000846893240	951682628	/nfs/dbraw/zinc/68/26/28/951682628.db2.gz	YWNKLTTXVQFFOC-KXBFYZLASA-N	1	0	367.490	1.467	20	30		FDEDRO
C#C[C@H]1CCC[N@@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1	ZINC000847027413	951779320	/nfs/dbraw/zinc/77/93/20/951779320.db2.gz	AXHCHBCYGTXCJB-SFHVURJKSA-N	1	0	367.493	1.611	20	30		FDEDRO
C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1c[nH]c(C#N)c1	ZINC001575095483	951812409	/nfs/dbraw/zinc/81/24/09/951812409.db2.gz	UUPRDWLDVQULOY-GFCCVEGCSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[C@]12CN(C(=O)c3cc[n+]([O-])cc3)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001091456344	951815412	/nfs/dbraw/zinc/81/54/12/951815412.db2.gz	CYMBMIRHDVLCIB-CTNGQTDRSA-N	1	0	362.433	1.786	20	30		FDEDRO
C[C@]12CN(C(=O)Cn3cccn3)C[C@H]1C[N@H+](CC#Cc1ccc(F)cc1)C2	ZINC001091482278	951865199	/nfs/dbraw/zinc/86/51/99/951865199.db2.gz	JUTRHDWIFYKWFA-NQIIRXRSSA-N	1	0	366.440	1.854	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)/C=C(/C)C4CC4)C[C@]3(C)C2)C1=O	ZINC001091516421	951919945	/nfs/dbraw/zinc/91/99/45/951919945.db2.gz	XPCMISJNAHGDGH-KUEROBIQSA-N	1	0	357.498	1.910	20	30		FDEDRO
Cc1c(C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@@]3(C)C2)nnn1C	ZINC001091561690	952072890	/nfs/dbraw/zinc/07/28/90/952072890.db2.gz	FAZNGULBCWCKOP-XLIONFOSSA-N	1	0	364.453	1.589	20	30		FDEDRO
C[NH+](C)C1CN(C(=O)[C@H](Cc2cccc(C#N)c2)NC(=O)OC(C)(C)C)C1	ZINC001146477783	952086058	/nfs/dbraw/zinc/08/60/58/952086058.db2.gz	RGTUJOINGZSVAL-KRWDZBQOSA-N	1	0	372.469	1.766	20	30		FDEDRO
C[C@]12CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]1C[N@H+](C[C@@H]1CCNC(=O)CC1)C2	ZINC001091574736	952111803	/nfs/dbraw/zinc/11/18/03/952111803.db2.gz	PDKZCJQTMIWAMI-NBQZKYEYSA-N	1	0	369.469	1.197	20	30		FDEDRO
N#Cc1ccc(N[C@@H]2CC[C@H](CNC(=O)CC[NH+]3CCCCC3)C2)nn1	ZINC001091581068	952147203	/nfs/dbraw/zinc/14/72/03/952147203.db2.gz	IYMASHFBCDPSNC-JKSUJKDBSA-N	1	0	356.474	1.921	20	30		FDEDRO
Cc1nnsc1C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@]2(C)C1	ZINC001091604777	952228151	/nfs/dbraw/zinc/22/81/51/952228151.db2.gz	OHKJSEODHRDYSA-PXAZEXFGSA-N	1	0	356.455	1.640	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)c2ccc(=O)[nH]n2)[C@H]2CC[C@H]([NH3+])CC2)cc1	ZINC001146990264	952269215	/nfs/dbraw/zinc/26/92/15/952269215.db2.gz	LNDWAAASOODJOH-WKILWMFISA-N	1	0	351.410	1.966	20	30		FDEDRO
C[C@]12CN(C(=O)CN3CCOCC3)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001091608079	952269911	/nfs/dbraw/zinc/26/99/11/952269911.db2.gz	KETFRJOGCVEJNF-CTNGQTDRSA-N	1	0	368.481	1.171	20	30		FDEDRO
C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H](CC#N)c2ccccc2)cn1	ZINC001147114445	952306846	/nfs/dbraw/zinc/30/68/46/952306846.db2.gz	ZRINBHAWYJZQLW-KRWDZBQOSA-N	1	0	368.441	1.197	20	30		FDEDRO
C[C@]12CN(C(=O)CCn3ccnn3)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001091626559	952360993	/nfs/dbraw/zinc/36/09/93/952360993.db2.gz	ISQMOBGLMGJDSF-CTNGQTDRSA-N	1	0	363.465	1.500	20	30		FDEDRO
Cn1oc(C(=O)N2C[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@@]3(C)C2)cc1=O	ZINC001091628741	952376836	/nfs/dbraw/zinc/37/68/36/952376836.db2.gz	QELVLOLIBZKZNN-UTKZUKDTSA-N	1	0	365.433	1.424	20	30		FDEDRO
C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(-n2cncn2)cc1	ZINC000772981554	952403207	/nfs/dbraw/zinc/40/32/07/952403207.db2.gz	FPRNNHNWYDPDES-OYLHUBKDSA-N	1	0	352.398	1.444	20	30		FDEDRO
C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(N2CCOC2=O)cc1	ZINC000772981386	952422374	/nfs/dbraw/zinc/42/23/74/952422374.db2.gz	CXNLDNVXXYHKFE-FKEVTRRJSA-N	1	0	370.409	1.820	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)C1	ZINC001147591523	952449709	/nfs/dbraw/zinc/44/97/09/952449709.db2.gz	ZKXPZAOLLGWWAL-XWTMOSNGSA-N	1	0	357.498	1.814	20	30		FDEDRO
C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1C[N@H+](CC(=O)N1CCCCCC1)C2	ZINC001091659792	952519876	/nfs/dbraw/zinc/51/98/76/952519876.db2.gz	UZKAACZNOMBMEX-NQIIRXRSSA-N	1	0	357.498	1.583	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cn([C@@H]4CCOC4)nc3C)C[C@]2(C)C1	ZINC001091672091	952595590	/nfs/dbraw/zinc/59/55/90/952595590.db2.gz	GRZJROUFEQOZFV-HLIPFELVSA-N	1	0	356.470	1.570	20	30		FDEDRO
C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000772986458	952605090	/nfs/dbraw/zinc/60/50/90/952605090.db2.gz	WGFABHPJYPWLDK-NIVDNSEKSA-N	1	0	357.410	1.852	20	30		FDEDRO
COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000772985911	952626248	/nfs/dbraw/zinc/62/62/48/952626248.db2.gz	UWULPTJOYOFPQP-AKDSAVJFSA-N	1	0	372.425	1.831	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](CNc2nccnc2C#N)C1	ZINC001091691439	952644767	/nfs/dbraw/zinc/64/47/67/952644767.db2.gz	ZJLPNGYAKXMDRV-CABCVRRESA-N	1	0	356.474	1.729	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cc(C(F)(F)F)nn3C)C[C@]2(C)C1	ZINC001091698086	952654948	/nfs/dbraw/zinc/65/49/48/952654948.db2.gz	FHZPLARJXAFTLA-WBMJQRKESA-N	1	0	354.376	1.856	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3OCC[C@H]3C)C2)C1	ZINC001148304670	952678374	/nfs/dbraw/zinc/67/83/74/952678374.db2.gz	LUCIAXRFIKQSKN-AEFFLSMTSA-N	1	0	361.486	1.146	20	30		FDEDRO
CN1C[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@@]3(C)C2)CC1=O	ZINC001091715260	952711578	/nfs/dbraw/zinc/71/15/78/952711578.db2.gz	WVLZDQJOUMPBRO-UEXGIBASSA-N	1	0	366.465	1.317	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+]([C@H](CCCC)C(N)=O)C2	ZINC001148424059	952726867	/nfs/dbraw/zinc/72/68/67/952726867.db2.gz	JMUCXSOCIUVKMI-BBWFWOEESA-N	1	0	363.502	1.546	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cn(C)nn2)C1	ZINC001086849411	952756111	/nfs/dbraw/zinc/75/61/11/952756111.db2.gz	GTYVOZCRDDSFRX-LSDHHAIUSA-N	1	0	370.457	1.463	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@@]2(C)C1	ZINC001091736778	952763774	/nfs/dbraw/zinc/76/37/74/952763774.db2.gz	BNEYXEHWSRVCRL-UTKZUKDTSA-N	1	0	370.497	1.690	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3c(C)noc3C)C[C@@]2(C)C1	ZINC001091748116	952793142	/nfs/dbraw/zinc/79/31/42/952793142.db2.gz	AJBKUSQMAFDBIS-LMNJBCLMSA-N	1	0	370.497	1.669	20	30		FDEDRO
C=CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1	ZINC000282738019	952852386	/nfs/dbraw/zinc/85/23/86/952852386.db2.gz	XSDUGBBJIPKXTN-INIZCTEOSA-N	1	0	360.506	1.868	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc4c([nH]3)CCC4)C2)C1=O	ZINC001086850602	952858177	/nfs/dbraw/zinc/85/81/77/952858177.db2.gz	OEBVCHKWGBGDGW-YXJHDRRASA-N	1	0	370.497	1.778	20	30		FDEDRO
CC(=O)N1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1	ZINC001086864281	952891172	/nfs/dbraw/zinc/89/11/72/952891172.db2.gz	LHLIFGAMWADOPL-SLFFLAALSA-N	1	0	368.481	1.801	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnn(CC)n3)C2)nc1	ZINC001086856174	952902524	/nfs/dbraw/zinc/90/25/24/952902524.db2.gz	MLZWWTCTKOMAGB-JKSUJKDBSA-N	1	0	352.442	1.363	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1	ZINC001086856164	952902572	/nfs/dbraw/zinc/90/25/72/952902572.db2.gz	LWWLKRSFXVIAKE-VUCTXSBTSA-N	1	0	358.417	1.350	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cncc(OC)n3)C2)nc1	ZINC001086857198	952903764	/nfs/dbraw/zinc/90/37/64/952903764.db2.gz	PYRXBNPUSFNXCC-JKSUJKDBSA-N	1	0	365.437	1.550	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccn(CC)n3)C2)nc1	ZINC001086857365	952904266	/nfs/dbraw/zinc/90/42/66/952904266.db2.gz	ZIKMLLQAGMLEEF-DLBZAZTESA-N	1	0	351.454	1.968	20	30		FDEDRO
Cn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)n(C)c1=O	ZINC001086884543	952937178	/nfs/dbraw/zinc/93/71/78/952937178.db2.gz	IWYYIFHTRSKZPD-DLBZAZTESA-N	1	0	367.453	1.284	20	30		FDEDRO
Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2c2cnn(C)c2)s1	ZINC001086971314	952973963	/nfs/dbraw/zinc/97/39/63/952973963.db2.gz	IUBWCRPSHJTOMD-BYCMXARLSA-N	1	0	358.471	1.429	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2[NH2+]Cc2ccns2)cn1	ZINC001086978945	952991782	/nfs/dbraw/zinc/99/17/82/952991782.db2.gz	ZRGDIEMEERGUCW-DLBZAZTESA-N	1	0	355.467	1.374	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2ccnc2CC)C[C@H]1c1cnn(C)c1	ZINC001086979477	952993077	/nfs/dbraw/zinc/99/30/77/952993077.db2.gz	AYIZEFVBKYCTMP-RYQLBKOJSA-N	1	0	368.485	1.348	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3nccn32)C[C@H]1c1cnn(C)c1	ZINC001086982285	952994898	/nfs/dbraw/zinc/99/48/98/952994898.db2.gz	CDCYUZDCCFCOFL-BBWFWOEESA-N	1	0	354.458	1.264	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cnc3n2CCC3)C[C@H]1c1cnn(C)c1	ZINC001086982759	952996089	/nfs/dbraw/zinc/99/60/89/952996089.db2.gz	BVPZJNJOANQLKF-JKSUJKDBSA-N	1	0	354.458	1.337	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)c(F)c2)C[C@H]1c1cnn(C)c1	ZINC001086982934	952996177	/nfs/dbraw/zinc/99/61/77/952996177.db2.gz	MJROTUJFJJWTRR-DOTOQJQBSA-N	1	0	358.417	1.952	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)(C)C)on2)C[C@H]1c1cnn(C)c1	ZINC001086987203	953009069	/nfs/dbraw/zinc/00/90/69/953009069.db2.gz	FUSPYUGZJXQTLN-GOEBONIOSA-N	1	0	355.442	1.537	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2cccc(OCC)n2)C[C@H]1c1cnn(C)c1	ZINC001086989297	953013921	/nfs/dbraw/zinc/01/39/21/953013921.db2.gz	UFYIQESWOLQHAA-ZWKOTPCHSA-N	1	0	369.469	1.527	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2ccnc(C)n2)C[C@H]1c1cnn(C)c1	ZINC001086989283	953013996	/nfs/dbraw/zinc/01/39/96/953013996.db2.gz	SWNPPUXIDAXRPD-RBUKOAKNSA-N	1	0	368.485	1.611	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccnc3ccncc32)C[C@H]1c1cnn(C)c1	ZINC001086989906	953016358	/nfs/dbraw/zinc/01/63/58/953016358.db2.gz	ZTLFKNJVPDAAQI-PKOBYXMFSA-N	1	0	360.421	1.194	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(C)nnc2C)C[C@H]1c1cnn(C)c1	ZINC001086980515	953029764	/nfs/dbraw/zinc/02/97/64/953029764.db2.gz	GTISLARUZVEUCD-ZWKOTPCHSA-N	1	0	354.458	1.601	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccn(CC(C)C)n2)C[C@H]1c1cnn(C)c1	ZINC001086981319	953032635	/nfs/dbraw/zinc/03/26/35/953032635.db2.gz	CFXKLNNNVFQDBE-FUHWJXTLSA-N	1	0	356.474	1.656	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccn3cc(C)nc3c2)C[C@H]1c1cnn(C)c1	ZINC001086996647	953037923	/nfs/dbraw/zinc/03/79/23/953037923.db2.gz	PBINBMVJVFIELU-ZWKOTPCHSA-N	1	0	362.437	1.207	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)OC2CCCC2)C[C@H]1c1cnn(C)c1	ZINC001086999502	953047280	/nfs/dbraw/zinc/04/72/80/953047280.db2.gz	IWYSBFDDIOSOJQ-OTWHNJEPSA-N	1	0	358.486	1.675	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccnc(C3CC3)n2)C[C@H]1c1cnn(C)c1	ZINC001087000058	953048826	/nfs/dbraw/zinc/04/88/26/953048826.db2.gz	DYGOXFSKXZGSBY-DOTOQJQBSA-N	1	0	352.442	1.471	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cnn3ccccc23)C[C@H]1c1cnn(C)c1	ZINC001087002225	953057613	/nfs/dbraw/zinc/05/76/13/953057613.db2.gz	OJIZDWMOKRVJCW-ZWKOTPCHSA-N	1	0	364.453	1.842	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(C)nn(CC)c2C)C[C@H]1c1cnn(C)c1	ZINC001087002238	953057712	/nfs/dbraw/zinc/05/77/12/953057712.db2.gz	OXSMXAHBKYXXSC-DLBZAZTESA-N	1	0	354.458	1.084	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCn2cccn2)C1	ZINC001086995114	953066994	/nfs/dbraw/zinc/06/69/94/953066994.db2.gz	MCLPKTSELUKAJM-NSHGMRRFSA-N	1	0	370.501	1.803	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC3CCC3)C2)cn1	ZINC001087006237	953090053	/nfs/dbraw/zinc/09/00/53/953090053.db2.gz	QAGNWEJPQXLNTC-VQTJNVASSA-N	1	0	363.465	1.794	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC=C)C1	ZINC001087006299	953090142	/nfs/dbraw/zinc/09/01/42/953090142.db2.gz	UFNOVWIYFKNLHB-ZWKOTPCHSA-N	1	0	365.437	1.211	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cncnc2C2CC2)C[C@H]1c1cnn(C)c1	ZINC001087007827	953093823	/nfs/dbraw/zinc/09/38/23/953093823.db2.gz	YLJBELQKUGLDPQ-DLBZAZTESA-N	1	0	352.442	1.471	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3CO2)C[C@H]1c1cnn(C)c1	ZINC001087008275	953095202	/nfs/dbraw/zinc/09/52/02/953095202.db2.gz	XAFLEXBODLXJOQ-ZCNNSNEGSA-N	1	0	364.449	1.079	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)COc2ccc(OC)cc2)C[C@H]1c1cnn(C)c1	ZINC001087009106	953097246	/nfs/dbraw/zinc/09/72/46/953097246.db2.gz	PECMGFOADWUUOA-RBUKOAKNSA-N	1	0	370.453	1.578	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2c(C)cc(=O)[nH]c2C)C[C@H]1c1cnn(C)c1	ZINC001087010506	953101706	/nfs/dbraw/zinc/10/17/06/953101706.db2.gz	DGRRBEBUIVRQQG-DLBZAZTESA-N	1	0	369.469	1.911	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](c2cccnc2)N(C)C)C[C@H]1c1cnn(C)c1	ZINC001087011064	953102769	/nfs/dbraw/zinc/10/27/69/953102769.db2.gz	CQHWJQWIMRFDON-OTWHNJEPSA-N	1	0	368.485	1.188	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)N(C)C)C[C@H]1c1cnn(C)c1	ZINC001087011154	953103179	/nfs/dbraw/zinc/10/31/79/953103179.db2.gz	HRXVZTFXUSUONL-ZCNNSNEGSA-N	1	0	365.481	1.240	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2cscn2)C[C@H]1c1cnn(C)c1	ZINC001087011948	953105792	/nfs/dbraw/zinc/10/57/92/953105792.db2.gz	YLYSAWARZSRGHX-DLBZAZTESA-N	1	0	359.499	1.970	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)OC)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001087031902	953129283	/nfs/dbraw/zinc/12/92/83/953129283.db2.gz	RJNKDFWUEFDRJZ-FDQGKXFDSA-N	1	0	363.433	1.685	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)/C=C\C3CC3)C[C@H]2OCC)C1=O	ZINC001087039256	953155316	/nfs/dbraw/zinc/15/53/16/953155316.db2.gz	NGZMZHUQYQOSPM-CNPAMDGFSA-N	1	0	361.486	1.193	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1cncc(C)c1	ZINC001087040010	953156279	/nfs/dbraw/zinc/15/62/79/953156279.db2.gz	NSIQEZALHKPLHU-IEBWSBKVSA-N	1	0	367.453	1.857	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1cccnc1	ZINC001087045951	953192616	/nfs/dbraw/zinc/19/26/16/953192616.db2.gz	BNQDDNWTNCWOEH-CRAIPNDOSA-N	1	0	353.426	1.548	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1cc(C)n(C)n1	ZINC001087046045	953193403	/nfs/dbraw/zinc/19/34/03/953193403.db2.gz	HKJNRPZMTAQMIY-RDTXWAMCSA-N	1	0	370.457	1.195	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1oc(C)nc1C	ZINC001087046961	953194919	/nfs/dbraw/zinc/19/49/19/953194919.db2.gz	KNVZYMYSMPTWPQ-CRAIPNDOSA-N	1	0	371.441	1.758	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nnc(C)[nH]3)[C@H](OCC)C2)cc1	ZINC001087071645	953225879	/nfs/dbraw/zinc/22/58/79/953225879.db2.gz	ZVDFLYMQNZHUMS-QZTJIDSGSA-N	1	0	367.453	1.361	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2ccn(C)c(=O)c2)[C@H](OCC)C1	ZINC001087072487	953226962	/nfs/dbraw/zinc/22/69/62/953226962.db2.gz	KGKPQTBSIIQMHY-IAGOWNOFSA-N	1	0	361.486	1.551	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H]2CCN(C)C2=O)[C@H](OCC)C1	ZINC001087072165	953227043	/nfs/dbraw/zinc/22/70/43/953227043.db2.gz	UOAADMLXHPCXRZ-OWCLPIDISA-N	1	0	351.491	1.273	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3ccon3)[C@H](OCC)C2)c1	ZINC001087082441	953240951	/nfs/dbraw/zinc/24/09/51/953240951.db2.gz	LXPIJSAQCOSKJD-SJLPKXTDSA-N	1	0	354.410	1.318	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)CCN1c1ncccc1C#N	ZINC001091784737	953301776	/nfs/dbraw/zinc/30/17/76/953301776.db2.gz	QVQBAONTXFDAOM-RYQLBKOJSA-N	1	0	371.485	1.395	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C[C@]2(C)C1	ZINC001091786047	953303963	/nfs/dbraw/zinc/30/39/63/953303963.db2.gz	SPTODBWMMSUHPW-NYTXWWLZSA-N	1	0	360.376	1.136	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)Cn3nnc(-c4ccco4)n3)C[C@]2(C)C1	ZINC001091809843	953343497	/nfs/dbraw/zinc/34/34/97/953343497.db2.gz	XCHIKIJLTHJYIP-KDOFPFPSSA-N	1	0	356.430	1.290	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CCN1c1cnc(C#N)cn1	ZINC001091832360	953375829	/nfs/dbraw/zinc/37/58/29/953375829.db2.gz	WJUFWYXFMYKPGP-IXDOHACOSA-N	1	0	356.474	1.696	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cnn(C)c3C(F)(F)F)C[C@]2(C)C1	ZINC001091817576	953470828	/nfs/dbraw/zinc/47/08/28/953470828.db2.gz	SQOIDWKGRMSDOA-WBMJQRKESA-N	1	0	354.376	1.856	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)Cn3ncc4cc(C)cnc43)C[C@]2(C)C1	ZINC001091860708	953587014	/nfs/dbraw/zinc/58/70/14/953587014.db2.gz	DYDIWFOIPIQKFM-XLIONFOSSA-N	1	0	351.454	1.543	20	30		FDEDRO
CC[C@@H](C(=O)N1C[C@H]2CCN(c3cnc(C#N)cn3)C[C@H]2C1)[NH+](CC)CC	ZINC001091870264	953625944	/nfs/dbraw/zinc/62/59/44/953625944.db2.gz	JMLHXQISDYQDKI-RYRKJORJSA-N	1	0	370.501	1.753	20	30		FDEDRO
C[C@]12CN(C(=O)[C@]3(C)CNC(=O)C3)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001091876864	953645512	/nfs/dbraw/zinc/64/55/12/953645512.db2.gz	WQJYXGFWWLAVOC-QMMLZNLJSA-N	1	0	366.465	1.365	20	30		FDEDRO
C[C@]12CN(C(=O)[C@]3(C)CCC(=O)N3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001091986509	953877622	/nfs/dbraw/zinc/87/76/22/953877622.db2.gz	NSXNIELWFIQJPI-QMMLZNLJSA-N	1	0	366.465	1.507	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cnnc3)cc2)C1	ZINC001196926538	971973758	/nfs/dbraw/zinc/97/37/58/971973758.db2.gz	ZADHLBIDCFJWKO-BMGDILEWSA-N	1	0	355.442	1.397	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3C[N@@H+]([C@H]4CCCN(C)C4=O)C[C@@]3(C)C2)c1	ZINC001091996892	953913314	/nfs/dbraw/zinc/91/33/14/953913314.db2.gz	CSGIYSQOXVXTQD-LQWHRVPQSA-N	1	0	366.465	1.078	20	30		FDEDRO
Cn1cc(C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@@]3(C)C2)[nH]c1=O	ZINC001091979207	953975327	/nfs/dbraw/zinc/97/53/27/953975327.db2.gz	WPNLVGNXRDQETR-UZLBHIALSA-N	1	0	365.437	1.591	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cccc(OC)n3)C[C@@]2(C)C1	ZINC001092030037	954128811	/nfs/dbraw/zinc/12/88/11/954128811.db2.gz	PSXVQTGTJHOPRN-OCQZMCQHSA-N	1	0	371.481	1.962	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3C[N@@H+](Cc4conc4C)C[C@@]3(C)C2)nn1	ZINC001092079046	954225285	/nfs/dbraw/zinc/22/52/85/954225285.db2.gz	FSEJTCPVPYQSPE-QAPCUYQASA-N	1	0	356.430	1.355	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCCN2CCOCC2)C1	ZINC001196939514	971998425	/nfs/dbraw/zinc/99/84/25/971998425.db2.gz	KINKDJCMHJNARR-RTBURBONSA-N	1	0	369.550	1.621	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cn(C)nc3C)C[C@@]2(C)C1	ZINC001092090403	954251169	/nfs/dbraw/zinc/25/11/69/954251169.db2.gz	OUZQWISKYWDJJY-JKBKZWBZSA-N	1	0	372.513	1.990	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)Cc3ccccc3NC(C)=O)C[C@]2(C)C1	ZINC001092106430	954331882	/nfs/dbraw/zinc/33/18/82/954331882.db2.gz	YIHSSWDUNMIOAE-NQIIRXRSSA-N	1	0	353.466	1.991	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4nccs4)C[C@]3(C)C2)C1=O	ZINC001092128088	954375428	/nfs/dbraw/zinc/37/54/28/954375428.db2.gz	XRGGSHYCFOXBNE-LBTNJELSSA-N	1	0	360.483	1.324	20	30		FDEDRO
C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)c3cccn4c(=O)[nH]nc34)C[C@]2(C)C1	ZINC001092195291	954505182	/nfs/dbraw/zinc/50/51/82/954505182.db2.gz	MNNVHOUZIGKGEL-PXAZEXFGSA-N	1	0	361.833	1.581	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2C[C@H]3C[N@@H+](C[C@H](C)O)C[C@@]3(C)C2)cc1	ZINC001092308719	954780072	/nfs/dbraw/zinc/78/00/72/954780072.db2.gz	WCLARJWLGXPNES-CDXJDZJCSA-N	1	0	358.482	1.955	20	30		FDEDRO
Cc1nonc1C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@]2(C)C1	ZINC001092320073	954832680	/nfs/dbraw/zinc/83/26/80/954832680.db2.gz	DLIMOKMJHPHSMF-BEFAXECRSA-N	1	0	369.400	1.983	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1C[C@H]2CN(c3ncc(C#N)cc3F)C[C@@]2(C)C1	ZINC001092290361	954882648	/nfs/dbraw/zinc/88/26/48/954882648.db2.gz	ZYYMLCVLQPPVJO-HNAYVOBHSA-N	1	0	359.449	1.719	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)n1	ZINC001092292430	954893761	/nfs/dbraw/zinc/89/37/61/954893761.db2.gz	GOQNBXIIRLYDGC-FXAWDEMLSA-N	1	0	371.485	1.125	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CNC(=O)CC[NH+]1CCCCC1	ZINC001092374845	955049428	/nfs/dbraw/zinc/04/94/28/955049428.db2.gz	MXVBUCRJUBICQV-HZPDHXFCSA-N	1	0	356.474	1.413	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C	ZINC001092415927	955147685	/nfs/dbraw/zinc/14/76/85/955147685.db2.gz	KODBUAMNOKWUJK-JFIYKMOQSA-N	1	0	370.501	1.800	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3CCC[N@@H+]3C)C2)n1	ZINC001092484462	955240008	/nfs/dbraw/zinc/24/00/08/955240008.db2.gz	PRLBYYFQOCECTO-OLMNPRSZSA-N	1	0	355.486	1.935	20	30		FDEDRO
Cc1nc(N2C[C@@H](C)[C@H](CCNC(=O)C[NH+]3CCCC3)C2)ccc1C#N	ZINC001092519093	955305633	/nfs/dbraw/zinc/30/56/33/955305633.db2.gz	IAVPMQIPTPTQGU-CRAIPNDOSA-N	1	0	355.486	1.936	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC[C@@H]2CN(c3nccc(C)n3)C[C@H]2C)CC1	ZINC001092523903	955321559	/nfs/dbraw/zinc/32/15/59/955321559.db2.gz	QQLGVFSLIHLTLO-VQIMIIECSA-N	1	0	369.513	1.709	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CCNC(=O)CCC[NH+]1CCCC1	ZINC001092524062	955323715	/nfs/dbraw/zinc/32/37/15/955323715.db2.gz	VCHQIZMBZUXACJ-IAGOWNOFSA-N	1	0	370.501	1.803	20	30		FDEDRO
C[C@@H]1CN(c2ncccc2C#N)C[C@H]1CCNC(=O)[C@@H](C1CC1)[NH+](C)C	ZINC001092550227	955397681	/nfs/dbraw/zinc/39/76/81/955397681.db2.gz	NPYPNAQBGBWHLM-ZTFGCOKTSA-N	1	0	355.486	1.872	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC001092551075	955401531	/nfs/dbraw/zinc/40/15/31/955401531.db2.gz	IFNNEGFMQNKEQG-BZUAXINKSA-N	1	0	371.485	1.443	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CCNC(=O)C1([NH+](C)C)CCC1	ZINC001092552410	955410086	/nfs/dbraw/zinc/41/00/86/955410086.db2.gz	RTYRGRRIPBYUKF-HUUCEWRRSA-N	1	0	356.474	1.411	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC001092553335	955416429	/nfs/dbraw/zinc/41/64/29/955416429.db2.gz	SSDCNPLDEGVSGM-NVXWUHKLSA-N	1	0	371.485	1.587	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC001092553458	955416804	/nfs/dbraw/zinc/41/68/04/955416804.db2.gz	DUKFMMFXTHEUBD-IJEWVQPXSA-N	1	0	357.458	1.100	20	30		FDEDRO
C=CCN1CCC[C@H]1CNS(=O)(=O)c1cccc(/C=C/C(=O)OC)c1	ZINC001197139016	972095865	/nfs/dbraw/zinc/09/58/65/972095865.db2.gz	BSVHGFMYHQGEIY-SCOAYWHSSA-N	1	0	364.467	1.802	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)c3coc(CC)n3)[C@H](C)C2)C1=O	ZINC001092557549	955439351	/nfs/dbraw/zinc/43/93/51/955439351.db2.gz	XXENXLCYXNVNRV-IIAWOOMASA-N	1	0	360.458	1.322	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3ccc(F)cn3)[C@H](C)C2)C1=O	ZINC001092560172	955452029	/nfs/dbraw/zinc/45/20/29/955452029.db2.gz	KANATTGLZJPZTD-CPUCHLNUSA-N	1	0	360.433	1.305	20	30		FDEDRO
COc1cc(C[N@H+]2C[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)ccn1	ZINC001092530643	955488609	/nfs/dbraw/zinc/48/86/09/955488609.db2.gz	HHUGBMQQJBGTCM-CZUORRHYSA-N	1	0	353.426	1.788	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)c3cc[nH]c3CC)[C@H](C)C2)C1=O	ZINC001092586764	955552286	/nfs/dbraw/zinc/55/22/86/955552286.db2.gz	YINTZYZOJJSBAI-IIDMSEBBSA-N	1	0	358.486	1.662	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CCNC(=O)[C@@H]1CCCC[N@@H+]1C	ZINC001092570948	955676324	/nfs/dbraw/zinc/67/63/24/955676324.db2.gz	DQTSZLROEHJMQC-OAGGEKHMSA-N	1	0	356.474	1.411	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)NCC[C@@H]2CN(c3ccnc(C#N)n3)C[C@H]2C)C1	ZINC001092584018	955729528	/nfs/dbraw/zinc/72/95/28/955729528.db2.gz	CQAJZIFUGLACFY-BZUAXINKSA-N	1	0	356.474	1.269	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cc(OC)no2)C[C@H]1C	ZINC001092617550	955831584	/nfs/dbraw/zinc/83/15/84/955831584.db2.gz	WZNKNLPUHFQJSC-SRABZTEZSA-N	1	0	363.458	1.849	20	30		FDEDRO
CC[C@@H](C(=O)N1C[C@@H](CNc2ccnc(C#N)n2)[C@H](C)C1)[NH+](CC)CC	ZINC001092674221	955981267	/nfs/dbraw/zinc/98/12/67/955981267.db2.gz	ARMITVWQFWMNNL-OAGGEKHMSA-N	1	0	358.490	1.397	20	30		FDEDRO
CC[C@H](C(=O)N1C[C@@H](CNc2cncc(C#N)n2)[C@H](C)C1)[NH+](CC)CC	ZINC001092674881	955983825	/nfs/dbraw/zinc/98/38/25/955983825.db2.gz	RIYYJRKEMQPETC-BFYDXBDKSA-N	1	0	358.490	1.975	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1C	ZINC001092676972	955991572	/nfs/dbraw/zinc/99/15/72/955991572.db2.gz	RSULEQCEAKWFQH-SJLPKXTDSA-N	1	0	355.486	1.948	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)c1cc(=O)n(C)cn1	ZINC001092693487	956051391	/nfs/dbraw/zinc/05/13/91/956051391.db2.gz	UIACVINTCLUTOB-SJLPKXTDSA-N	1	0	364.449	1.130	20	30		FDEDRO
CC(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1N(c1ccc(C#N)nn1)CC2)[NH+](C)C	ZINC001092701287	956093612	/nfs/dbraw/zinc/09/36/12/956093612.db2.gz	XYJIHFOQDPNIJH-IMFGXOCKSA-N	1	0	370.501	1.800	20	30		FDEDRO
C[NH+](C)C1(C(=O)NC[C@]23CCC[C@H]2N(c2ccc(C#N)nn2)CC3)CCC1	ZINC001092704448	956113459	/nfs/dbraw/zinc/11/34/59/956113459.db2.gz	FYDROQMJXAYIFK-VQIMIIECSA-N	1	0	368.485	1.698	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC001092725755	956315188	/nfs/dbraw/zinc/31/51/88/956315188.db2.gz	ZDQZYCPKHVGBKX-XNFNUYLZSA-N	1	0	370.497	1.461	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CN(c3ccc(C#N)cn3)CCO2)CC[N@@H+]1C	ZINC001092776745	956414366	/nfs/dbraw/zinc/41/43/66/956414366.db2.gz	AUAXDMALNISPLE-OGWOLHLISA-N	1	0	357.458	1.005	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1)[NH+]1CCCC1	ZINC001092849387	956494213	/nfs/dbraw/zinc/49/42/13/956494213.db2.gz	GGFIUCXZSMXXFY-DFEOGRTESA-N	1	0	368.485	1.695	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)c3cncc(CC)c3)[C@H](C)C2)C1=O	ZINC001092831463	956569281	/nfs/dbraw/zinc/56/92/81/956569281.db2.gz	REBBAUDXIWOXJL-LZQZEXGQSA-N	1	0	370.497	1.729	20	30		FDEDRO
Cc1nn[nH]c1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1C	ZINC001092873382	956608077	/nfs/dbraw/zinc/60/80/77/956608077.db2.gz	OXWZHMWRDBSQKB-CZUORRHYSA-N	1	0	368.441	1.513	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2c(C)c(C)nn(C)c2=O)[C@H](C)C1	ZINC001092873929	956610543	/nfs/dbraw/zinc/61/05/43/956610543.db2.gz	ZXKKIRVWNGAADL-QMTHXVAHSA-N	1	0	352.866	1.447	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]2C)cc1	ZINC001092876400	956622822	/nfs/dbraw/zinc/62/28/22/956622822.db2.gz	DAYANYAGXQHABF-AHRSYUTCSA-N	1	0	367.493	1.975	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)c2cnn(C)c2)C1	ZINC001197334292	972211031	/nfs/dbraw/zinc/21/10/31/972211031.db2.gz	NPCYDRXKLDZWHV-IAGOWNOFSA-N	1	0	350.507	1.829	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCN1C(=O)CCC)C2	ZINC001110137935	956786583	/nfs/dbraw/zinc/78/65/83/956786583.db2.gz	CUVQRNHRXPFVBL-VSZNYVQBSA-N	1	0	363.502	1.702	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@H]2C)c1	ZINC001092951063	956880802	/nfs/dbraw/zinc/88/08/02/956880802.db2.gz	GSHXLNJLPVUJHH-VQIMIIECSA-N	1	0	368.481	1.373	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1C	ZINC001092981610	956986067	/nfs/dbraw/zinc/98/60/67/956986067.db2.gz	FRBGGKABEPSRNA-TVFCKZIOSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1C	ZINC001092982158	956988202	/nfs/dbraw/zinc/98/82/02/956988202.db2.gz	VSTGZQCKTZWRPA-AXUOBQJMSA-N	1	0	360.502	1.775	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)c1ccnnc1	ZINC001092999731	957101059	/nfs/dbraw/zinc/10/10/59/957101059.db2.gz	POMOGGKFZLQPMM-CXAGYDPISA-N	1	0	353.401	1.985	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cc(C)n(C)n2)C[C@H]1C	ZINC001093048494	957217143	/nfs/dbraw/zinc/21/71/43/957217143.db2.gz	JKWCMGJTEGUVFO-JZGRTCEGSA-N	1	0	360.502	1.894	20	30		FDEDRO
N#Cc1cncc(N2C[C@@H]3CCC[C@]3(NC(=O)CCC[NH+]3CCCC3)C2)n1	ZINC001093087458	957306903	/nfs/dbraw/zinc/30/69/03/957306903.db2.gz	GWNGAPKAFSDTHZ-JXFKEZNVSA-N	1	0	368.485	1.699	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)c1ccncn1	ZINC001093065844	957307938	/nfs/dbraw/zinc/30/79/38/957307938.db2.gz	GQORODCYASLDEW-CZUORRHYSA-N	1	0	353.401	1.985	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2cncc(C#N)n2)C1	ZINC001093114968	957555067	/nfs/dbraw/zinc/55/50/67/957555067.db2.gz	ZMWYKIJPFOZWBF-CHWSQXEVSA-N	1	0	370.379	1.491	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(Cc3ncccn3)C[C@H]2C)CC1	ZINC001093222883	957850726	/nfs/dbraw/zinc/85/07/26/957850726.db2.gz	QVBGXUHZNWVAHZ-SJLPKXTDSA-N	1	0	355.486	1.006	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)c2ccnc(-n3cncn3)c2)[C@H](C)C1	ZINC001093247411	957919921	/nfs/dbraw/zinc/91/99/21/957919921.db2.gz	KUTCQFIKIFLIIN-NVXWUHKLSA-N	1	0	354.458	1.926	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)CC(F)(F)F)C[C@H]2C)C1=O	ZINC001093272438	957941152	/nfs/dbraw/zinc/94/11/52/957941152.db2.gz	SAZZIPWLQUUEOC-MGPQQGTHSA-N	1	0	361.408	1.800	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)C1=O	ZINC001093275203	957945859	/nfs/dbraw/zinc/94/58/59/957945859.db2.gz	WWVPORCGYRZTQL-DJIMGWMZSA-N	1	0	369.469	1.361	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCN(C)C2=O)C1	ZINC001093288296	957977472	/nfs/dbraw/zinc/97/74/72/957977472.db2.gz	KGHXIWCKPFTOTF-AHRSYUTCSA-N	1	0	367.493	1.515	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CC3CC(C)C3)nn2)C1	ZINC001093335257	958003108	/nfs/dbraw/zinc/00/31/08/958003108.db2.gz	WWAJGUZBOHXJMM-PCHAPFSGSA-N	1	0	359.474	1.388	20	30		FDEDRO
C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1	ZINC001093378171	958017947	/nfs/dbraw/zinc/01/79/47/958017947.db2.gz	KEAATDIJJXRBBX-GVDBMIGSSA-N	1	0	361.486	1.298	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnns3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093432655	958059045	/nfs/dbraw/zinc/05/90/45/958059045.db2.gz	DWSFQWLFESPCCH-NCZKRNLISA-N	1	0	370.906	1.870	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)c2c[nH]c(C#N)c2)C[C@]12C[C@@H](O)[C@H]([NH2+]CC1CC1)C2	ZINC001093439955	958074387	/nfs/dbraw/zinc/07/43/87/958074387.db2.gz	QYXKRZADGSTPBC-MLYOOKFZSA-N	1	0	356.470	1.876	20	30		FDEDRO
Cc1nocc1C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C#CC3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093442928	958082781	/nfs/dbraw/zinc/08/27/81/958082781.db2.gz	MDBAJJIWINCNQM-QCFAMHMHSA-N	1	0	371.481	1.863	20	30		FDEDRO
Cc1ncoc1C[NH2+][C@@H]1C[C@]2(CN(C(=O)C#CC3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093443044	958084523	/nfs/dbraw/zinc/08/45/23/958084523.db2.gz	NRCAMSOGILUKNF-DEPWHIHDSA-N	1	0	371.481	1.863	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)C#CC2CC2)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccn(C)n1)C2	ZINC001093443925	958087558	/nfs/dbraw/zinc/08/75/58/958087558.db2.gz	WMXMNFURMCRRAT-QCFAMHMHSA-N	1	0	370.497	1.300	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn4c(n3)CCCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093446623	958095384	/nfs/dbraw/zinc/09/53/84/958095384.db2.gz	JCOFSSMESBSKJH-QSRMWPQZSA-N	1	0	370.497	1.432	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(CC)ccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093447401	958099839	/nfs/dbraw/zinc/09/98/39/958099839.db2.gz	VGGHYFWGXNKQDQ-WERVVEIQSA-N	1	0	355.482	1.857	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)nnc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001093452448	958101213	/nfs/dbraw/zinc/10/12/13/958101213.db2.gz	IXYUQGXDFFIXKW-WERVVEIQSA-N	1	0	370.497	1.560	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)[nH]nc3Cl)[C@H]2C(C)C)C[C@H]1O	ZINC001093449541	958117799	/nfs/dbraw/zinc/11/77/99/958117799.db2.gz	PNPXAYOTIKABIZ-ONUSSAAZSA-N	1	0	364.877	1.584	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C4CC4)nn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093449824	958119634	/nfs/dbraw/zinc/11/96/34/958119634.db2.gz	QQJMPBKNSNBRAZ-RBAQFSTRSA-N	1	0	370.497	1.510	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3nc(CC)c[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093450754	958126325	/nfs/dbraw/zinc/12/63/25/958126325.db2.gz	OTJJCXPBNZFCIO-SMOSDQRPSA-N	1	0	360.502	1.667	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C)nc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001093451519	958132571	/nfs/dbraw/zinc/13/25/71/958132571.db2.gz	VDVCTJPAGKHHSZ-FTEYMNFISA-N	1	0	358.486	1.195	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc4n3CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093451739	958135668	/nfs/dbraw/zinc/13/56/68/958135668.db2.gz	XJHRDZIHPXYTIJ-GNUPYSACSA-N	1	0	356.470	1.042	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc4ccccn43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452148	958138045	/nfs/dbraw/zinc/13/80/45/958138045.db2.gz	DJRRGSBQTYVZBT-STQYRHOTSA-N	1	0	366.465	1.547	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3n[nH]nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093459428	958182634	/nfs/dbraw/zinc/18/26/34/958182634.db2.gz	KMRPCKZNLDRINZ-LNCBFAARSA-N	1	0	367.881	1.445	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(OC)nc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093460216	958187833	/nfs/dbraw/zinc/18/78/33/958187833.db2.gz	YKVNEBWSMXMPFZ-QQTQMKHKSA-N	1	0	357.454	1.303	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cnoc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093460786	958190902	/nfs/dbraw/zinc/19/09/02/958190902.db2.gz	XOTGEAGEFVYYEI-AHCXZYCDSA-N	1	0	367.877	1.936	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc4nonc4c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093463073	958195595	/nfs/dbraw/zinc/19/55/95/958195595.db2.gz	SLHAGKKUZBSPQA-SOAMZJECSA-N	1	0	370.453	1.989	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3noc4c3CCCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093464615	958200913	/nfs/dbraw/zinc/20/09/13/958200913.db2.gz	CRKHHTQWWUOUOQ-DCTVWTRXSA-N	1	0	371.481	1.766	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCC3CCOCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093466911	958212538	/nfs/dbraw/zinc/21/25/38/958212538.db2.gz	QFEXLNWFKNLLQW-VURPSTOHSA-N	1	0	362.514	1.793	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc4nncn4c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093467621	958215737	/nfs/dbraw/zinc/21/57/37/958215737.db2.gz	UUAJRRBBLWBROR-HBXLWWENSA-N	1	0	369.469	1.495	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3conc3C3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093468230	958218573	/nfs/dbraw/zinc/21/85/73/958218573.db2.gz	XZPXNZKGQSZQEL-ZTRFORPCSA-N	1	0	357.454	1.765	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(CC)nn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093469962	958225881	/nfs/dbraw/zinc/22/58/81/958225881.db2.gz	NVYJQYNZTMDDBE-LBKNJMOBSA-N	1	0	358.486	1.195	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nc(CC)oc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093470151	958226955	/nfs/dbraw/zinc/22/69/55/958226955.db2.gz	QDQCBWNIMAPQSM-DZJHOTPTSA-N	1	0	359.470	1.758	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(CC)nn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093470410	958228112	/nfs/dbraw/zinc/22/81/12/958228112.db2.gz	UJQBTOFGGQNXTC-KLICCBINSA-N	1	0	361.490	1.454	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn4ccccc34)[C@@H]2C(C)C)C[C@H]1O	ZINC001093470745	958230672	/nfs/dbraw/zinc/23/06/72/958230672.db2.gz	YYURSHFKKGSGLU-XLBJILASSA-N	1	0	366.465	1.547	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(OC)nn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093471399	958233909	/nfs/dbraw/zinc/23/39/09/958233909.db2.gz	DXCCYLHYYXWWQX-FXRXJOCMSA-N	1	0	360.458	1.251	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH]c4cccnc34)[C@@H]2C(C)C)C[C@H]1O	ZINC001093471736	958236045	/nfs/dbraw/zinc/23/60/45/958236045.db2.gz	GLMVNCDQYAHGKK-ZJSJBZJDSA-N	1	0	366.465	1.776	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C#C)nc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093472004	958236683	/nfs/dbraw/zinc/23/66/83/958236683.db2.gz	HOZIGSSXPGMWFU-WERVVEIQSA-N	1	0	351.450	1.276	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3conc3COC)[C@H]2C(C)C)C[C@H]1O	ZINC001093472389	958239294	/nfs/dbraw/zinc/23/92/94/958239294.db2.gz	KXOUHVIAIAFCNF-VYCZESIESA-N	1	0	361.442	1.034	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc(OC)nc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093472675	958240791	/nfs/dbraw/zinc/24/07/91/958240791.db2.gz	MKJJSBZXMAIECG-JEWRLFTDSA-N	1	0	360.458	1.251	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccc(OC)cc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093475079	958251096	/nfs/dbraw/zinc/25/10/96/958251096.db2.gz	WIRPAZDSZCJCBR-KRXUUXHPSA-N	1	0	370.493	1.837	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)onc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001093476569	958254127	/nfs/dbraw/zinc/25/41/27/958254127.db2.gz	CPAZBONHHCTECI-ZTRFORPCSA-N	1	0	359.470	1.758	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COc3cccc(C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093477284	958256743	/nfs/dbraw/zinc/25/67/43/958256743.db2.gz	GQIVGBIXYPAEMT-KRXUUXHPSA-N	1	0	370.493	1.973	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccn4nccc34)[C@H]2C(C)C)C[C@H]1O	ZINC001093453022	958261643	/nfs/dbraw/zinc/26/16/43/958261643.db2.gz	SEECAQIJCSFWTO-RBAQFSTRSA-N	1	0	366.465	1.547	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(C)c3Cl)[C@H]2C(C)C)C[C@H]1O	ZINC001093453586	958262590	/nfs/dbraw/zinc/26/25/90/958262590.db2.gz	WTBQCUKBTAWZAN-BSXFFOKHSA-N	1	0	366.893	1.839	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3cncc(C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093458718	958285093	/nfs/dbraw/zinc/28/50/93/958285093.db2.gz	OVJLIKCWMGJTNT-CZAYHTPWSA-N	1	0	369.509	1.922	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(N(C)C)ccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093477868	958290470	/nfs/dbraw/zinc/29/04/70/958290470.db2.gz	AEBJVZXWLCQMQO-ANTGDGSKSA-N	1	0	370.497	1.361	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCn3cc(C)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093478647	958294520	/nfs/dbraw/zinc/29/45/20/958294520.db2.gz	GJPJHXUWWDHNBB-IZBJGVDFSA-N	1	0	358.486	1.181	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)noc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001093479416	958298458	/nfs/dbraw/zinc/29/84/58/958298458.db2.gz	UIOIZLYRWXQNNL-DZJHOTPTSA-N	1	0	359.470	1.758	20	30		FDEDRO
C=C(C)CC[NH+]1CC(OC2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1	ZINC001093545797	958324741	/nfs/dbraw/zinc/32/47/41/958324741.db2.gz	SMFBDDYCDGRISS-VQIMIIECSA-N	1	0	365.518	1.364	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)NCc1ccco1)C2	ZINC001110147344	958339554	/nfs/dbraw/zinc/33/95/54/958339554.db2.gz	XJMZLIZDSBVUKD-PVAVHDDUSA-N	1	0	360.458	1.767	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)COC3CCCC3)C[C@H]2C)C1=O	ZINC001093652863	958439291	/nfs/dbraw/zinc/43/92/91/958439291.db2.gz	TZMBFMLTYRIOHY-JFIYKMOQSA-N	1	0	363.502	1.417	20	30		FDEDRO
Cc1c(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)s3)[C@H](C)C2)nnn1C	ZINC001093688070	958506371	/nfs/dbraw/zinc/50/63/71/958506371.db2.gz	DGCYXHUEBXFTDO-DGCLKSJQSA-N	1	0	358.471	1.555	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)Cc3cccnc3)C[C@H]2C)C1=O	ZINC001093715894	958584948	/nfs/dbraw/zinc/58/49/48/958584948.db2.gz	COWLWVFKUCTOKG-NXHRZFHOSA-N	1	0	356.470	1.095	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1)n1cncn1	ZINC001093725484	958607424	/nfs/dbraw/zinc/60/74/24/958607424.db2.gz	LWRHDCKFTCPIRX-IIDMSEBBSA-N	1	0	352.442	1.595	20	30		FDEDRO
COc1ccnc(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)c1	ZINC001093725710	958609055	/nfs/dbraw/zinc/60/90/55/958609055.db2.gz	AGALXDCQMSEOAD-UKRRQHHQSA-N	1	0	353.426	1.788	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C)c1nnnn1C1CC1	ZINC001093725862	958610913	/nfs/dbraw/zinc/61/09/13/958610913.db2.gz	HYWDXTHXIVLBHU-YRGRVCCFSA-N	1	0	368.445	1.267	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093728705	958620649	/nfs/dbraw/zinc/62/06/49/958620649.db2.gz	NLVCRLXHDRVNQP-CZUORRHYSA-N	1	0	352.442	1.372	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCc3cnn(CC)c3)C[C@H]21	ZINC000962023259	1013180831	/nfs/dbraw/zinc/18/08/31/1013180831.db2.gz	JUKWRPIOLDKXPM-QTMHVTGLSA-N	1	0	358.486	1.473	20	30		FDEDRO
CC(=O)N1CC(C(=O)N2C[C@@H](C[NH2+]Cc3ccccc3C#N)[C@H](C)C2)C1	ZINC001093737262	958647465	/nfs/dbraw/zinc/64/74/65/958647465.db2.gz	UVXASVOEBQPOHR-RDTXWAMCSA-N	1	0	354.454	1.221	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093739716	958653750	/nfs/dbraw/zinc/65/37/50/958653750.db2.gz	ZYQKVCYAJYDLFQ-CZUORRHYSA-N	1	0	354.410	1.348	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001093747923	958665636	/nfs/dbraw/zinc/66/56/36/958665636.db2.gz	KLFGMMACVLZGCN-IUODEOHRSA-N	1	0	356.405	1.324	20	30		FDEDRO
CC(C)[C@@H](O)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OCC#N)cc2)[C@H](C)C1	ZINC001093751991	958676744	/nfs/dbraw/zinc/67/67/44/958676744.db2.gz	ODFDPADCMXVADZ-SZVBFZGTSA-N	1	0	359.470	1.790	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2C)[C@H](C)C1	ZINC001093870528	959056226	/nfs/dbraw/zinc/05/62/26/959056226.db2.gz	SQFPGVPJJQZUCR-HZPDHXFCSA-N	1	0	369.469	1.878	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001093884703	959123158	/nfs/dbraw/zinc/12/31/58/959123158.db2.gz	RYQFGFRZNYFBGF-UKRRQHHQSA-N	1	0	354.414	1.205	20	30		FDEDRO
C[C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093887242	959130569	/nfs/dbraw/zinc/13/05/69/959130569.db2.gz	PFVUWWVWXBRVMZ-VQIMIIECSA-N	1	0	368.481	1.755	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)c2cncn2C)C[C@H]1C	ZINC001093894239	959248993	/nfs/dbraw/zinc/24/89/93/959248993.db2.gz	LQVGSXKVYTYGBV-RHSMWYFYSA-N	1	0	367.453	1.798	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](NC(N)=O)C(C)(C)C)C1	ZINC001197812089	972420869	/nfs/dbraw/zinc/42/08/69/972420869.db2.gz	GICUKZBCPJQUFC-RBSFLKMASA-N	1	0	356.511	1.201	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H]3CCN(CC=C)C3=O)[C@H](C)C2)cc1	ZINC001093957289	959350188	/nfs/dbraw/zinc/35/01/88/959350188.db2.gz	OGPYRWOHGPPGDR-AHRSYUTCSA-N	1	0	365.477	1.753	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093981746	959532016	/nfs/dbraw/zinc/53/20/16/959532016.db2.gz	RFNCCPFVIXAQEA-ZTFGCOKTSA-N	1	0	354.454	1.221	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093981606	959532733	/nfs/dbraw/zinc/53/27/33/959532733.db2.gz	NRDSBFLLKDJBFR-XJKCOSOUSA-N	1	0	360.483	1.282	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001094023438	959543231	/nfs/dbraw/zinc/54/32/31/959543231.db2.gz	ZAYGCOGHRGXBJT-ZTQAJYAQSA-N	1	0	354.454	1.411	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C(N)=O)co2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001094033052	959563831	/nfs/dbraw/zinc/56/38/31/959563831.db2.gz	YJZPSJWDCXDWLN-CXAGYDPISA-N	1	0	366.421	1.748	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCCC(=O)N2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001094035140	959571757	/nfs/dbraw/zinc/57/17/57/959571757.db2.gz	BGLHBRORQCBCLD-LZQZEXGQSA-N	1	0	368.481	1.801	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nc(C(F)F)no2)[C@H](C)C1	ZINC001094055097	959645572	/nfs/dbraw/zinc/64/55/72/959645572.db2.gz	IDKUOGYRHOUVSM-LPWJVIDDSA-N	1	0	370.400	1.782	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001094015774	959659535	/nfs/dbraw/zinc/65/95/35/959659535.db2.gz	JXHINAUDWMGTCA-IUODEOHRSA-N	1	0	371.416	1.634	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001094016459	959661432	/nfs/dbraw/zinc/66/14/32/959661432.db2.gz	SPGFYWZSYRECFL-IUODEOHRSA-N	1	0	371.416	1.634	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3nccn3CC)[C@H](C)C2)nn1	ZINC001094095183	959770923	/nfs/dbraw/zinc/77/09/23/959770923.db2.gz	IJYCSHQIVJLAQE-HUUCEWRRSA-N	1	0	357.462	1.178	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3nccnc3C)[C@H](C)C2)nn1	ZINC001094095328	959772147	/nfs/dbraw/zinc/77/21/47/959772147.db2.gz	NNPOVANQRUDONV-UKRRQHHQSA-N	1	0	355.446	1.060	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccn(C)n2)[C@H](C)C1	ZINC001094099864	959782735	/nfs/dbraw/zinc/78/27/35/959782735.db2.gz	QJZNCTAZFUOTMZ-FPAYPSAMSA-N	1	0	360.502	1.976	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnnn2CC)[C@H](C)C1	ZINC001094103541	959884449	/nfs/dbraw/zinc/88/44/49/959884449.db2.gz	VIPUTFKCGUWIPD-LMSBXDPUSA-N	1	0	361.490	1.463	20	30		FDEDRO
COc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ccccc3C#N)[C@H](C)C2)nn1	ZINC001094150207	959912339	/nfs/dbraw/zinc/91/23/39/959912339.db2.gz	ZWZLBEPLLJICGZ-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]C[C@@H]3CCNC(=O)CC3)[C@H](C)C2)cn1	ZINC001094174266	959976358	/nfs/dbraw/zinc/97/63/58/959976358.db2.gz	BSPLSADUXYUHDE-SOLBZPMBSA-N	1	0	368.481	1.277	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3cccn3CC)C[C@H]2C)C1=O	ZINC001094223271	960054100	/nfs/dbraw/zinc/05/41/00/960054100.db2.gz	WVXAGVXRXBGFRK-BRWVUGGUSA-N	1	0	358.486	1.593	20	30		FDEDRO
C#C[C@H](N[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCO1	ZINC000775789833	972479666	/nfs/dbraw/zinc/47/96/66/972479666.db2.gz	FFDNMGQNGPGQMK-GTAWCEEGSA-N	1	0	355.482	1.536	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3ccc(F)s3)C[C@H]2C)C1=O	ZINC001094252521	960192549	/nfs/dbraw/zinc/19/25/49/960192549.db2.gz	RUAFWSYMZZNVAS-MGPQQGTHSA-N	1	0	365.474	1.972	20	30		FDEDRO
Cc1nonc1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)c(C#N)c2)[C@H](C)C1	ZINC001094256581	960232264	/nfs/dbraw/zinc/23/22/64/960232264.db2.gz	WVRHYBBFHNMUBJ-IAQYHMDHSA-N	1	0	357.389	1.887	20	30		FDEDRO
Cn1nncc1C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C#N)c[nH]3)CCC[C@@H]12	ZINC001094388359	960333759	/nfs/dbraw/zinc/33/37/59/960333759.db2.gz	ZPSFXFDRHUOUQX-SJLPKXTDSA-N	1	0	353.430	1.189	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NC2CC2)CC3)c1	ZINC001094389017	960334392	/nfs/dbraw/zinc/33/43/92/960334392.db2.gz	PLTQKAAQKZFDTH-VQIMIIECSA-N	1	0	355.442	1.139	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(OCC(N)=O)c3)CCC[C@@H]12	ZINC001094428009	960431858	/nfs/dbraw/zinc/43/18/58/960431858.db2.gz	GTSKQCDRKBNBDB-WIYYLYMNSA-N	1	0	369.465	1.548	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCCS3(=O)=O)CCC[C@@H]12	ZINC001094433026	960442947	/nfs/dbraw/zinc/44/29/47/960442947.db2.gz	MEACLSKRLFSVBZ-JFIYKMOQSA-N	1	0	352.500	1.338	20	30		FDEDRO
CC1([NH+]2CCOCC2)CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1	ZINC000862960441	972512946	/nfs/dbraw/zinc/51/29/46/972512946.db2.gz	KQAYCBAVPRTSRB-UHFFFAOYSA-N	1	0	356.422	1.480	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(S(N)(=O)=O)o3)CCC[C@@H]12	ZINC001094459071	960559217	/nfs/dbraw/zinc/55/92/17/960559217.db2.gz	ALJCKNUPEQDUQW-RHSMWYFYSA-N	1	0	367.471	1.478	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3coc4c3C(=O)NCCC4)CCC[C@@H]12	ZINC001094473404	960640522	/nfs/dbraw/zinc/64/05/22/960640522.db2.gz	NEIHBFLYJYDXMR-DYESRHJHSA-N	1	0	369.465	1.953	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH]nc3[C@@H]3CCOC3)CCC[C@@H]12	ZINC001094477363	960648047	/nfs/dbraw/zinc/64/80/47/960648047.db2.gz	DDDGFZNGWLYMAX-WRWLIDTKSA-N	1	0	356.470	1.911	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)N2CCC2)CC3)c1	ZINC001094508670	960686316	/nfs/dbraw/zinc/68/63/16/960686316.db2.gz	IGYGQMRWTZIZDV-WIYYLYMNSA-N	1	0	366.465	1.270	20	30		FDEDRO
C#C[C@H]([NH2+][C@H](C)C(=O)N(C)C[C@@H]1COc2ccccc2O1)[C@H]1CCCO1	ZINC000775794414	972527048	/nfs/dbraw/zinc/52/70/48/972527048.db2.gz	HVYVTFZGVCGLOU-WCXIOVBPSA-N	1	0	358.438	1.444	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4n[nH]c(=O)n4c3)CCC[C@@H]12	ZINC001094535798	960754568	/nfs/dbraw/zinc/75/45/68/960754568.db2.gz	PIAVFGYJUGDRDO-DNVCBOLYSA-N	1	0	355.442	1.985	20	30		FDEDRO
C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C[C@H]1C	ZINC001181499521	960877224	/nfs/dbraw/zinc/87/72/24/960877224.db2.gz	MQJAJMUJBIIUHC-NEYJZJCJSA-N	1	0	354.498	1.861	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(-n4cncn4)n3)CCC[C@@H]12	ZINC001094548904	960891570	/nfs/dbraw/zinc/89/15/70/960891570.db2.gz	SLPXXMKNCBBJPO-YLJYHZDGSA-N	1	0	364.453	1.660	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3COCCN3C(C)=O)CCC[C@@H]12	ZINC001094583289	960908616	/nfs/dbraw/zinc/90/86/16/960908616.db2.gz	PCXQKKUPKWTKAR-NLWGTHIKSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=C(C)CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2=O)C1	ZINC001094762066	961120234	/nfs/dbraw/zinc/12/02/34/961120234.db2.gz	XAGBNIQTPLPXBH-RIVXBTQJSA-N	1	0	361.486	1.169	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CC3CCC3)C2)C1	ZINC001094737012	961128608	/nfs/dbraw/zinc/12/86/08/961128608.db2.gz	QNJHSQMDYLMNBI-NXHRZFHOSA-N	1	0	361.486	1.169	20	30		FDEDRO
CCOCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1	ZINC001110162614	961153481	/nfs/dbraw/zinc/15/34/81/961153481.db2.gz	FVCUGMSPQLKTQS-QYZOEREBSA-N	1	0	357.454	1.833	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@H]2C[C@H](C(=O)N3CCOCC3)[C@@H](C1)O2	ZINC001172305737	961615321	/nfs/dbraw/zinc/61/53/21/961615321.db2.gz	FVSQZRYBFUNIDR-GEALJGNFSA-N	1	0	369.465	1.437	20	30		FDEDRO
C[C@@H](CCCC#N)[NH2+][C@@H]1CCS(=O)(=O)C12CN(C(=O)OC(C)(C)C)C2	ZINC001172479719	961666880	/nfs/dbraw/zinc/66/68/80/961666880.db2.gz	KDTBZZZAZKHZST-UONOGXRCSA-N	1	0	371.503	1.835	20	30		FDEDRO
CC(C)C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C(=O)NO	ZINC001172978618	961862812	/nfs/dbraw/zinc/86/28/12/961862812.db2.gz	NXZRRPUHTKXNDN-RDBSUJKOSA-N	1	0	354.451	1.788	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cncc(C(N)=O)c2)C[C@H]1C#N	ZINC001172979439	961862844	/nfs/dbraw/zinc/86/28/44/961862844.db2.gz	YFGAGHUEHNHIRA-GJZGRUSLSA-N	1	0	359.430	1.562	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCN2CCC[C@H](O)C2)C[C@H]1C#N	ZINC001172982692	961866255	/nfs/dbraw/zinc/86/62/55/961866255.db2.gz	FRDGOZRISQHHLA-PMPSAXMXSA-N	1	0	352.479	1.324	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CN(c3ncccn3)C2)C[C@H]1C#N	ZINC001172982663	961866874	/nfs/dbraw/zinc/86/68/74/961866874.db2.gz	FINAKFAEQSJVAR-HIFRSBDPSA-N	1	0	358.446	1.546	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC3(C[C@@H](O)CO3)CC2)C[C@H]1C#N	ZINC001172987133	961867689	/nfs/dbraw/zinc/86/76/89/961867689.db2.gz	AYIJRVFDRFEYLV-OWCLPIDISA-N	1	0	365.474	1.894	20	30		FDEDRO
C=CCOC1CCC(N([C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)S(C)(=O)=O)CC1	ZINC001173324314	962004519	/nfs/dbraw/zinc/00/45/19/962004519.db2.gz	MQAKCZSBOUXIEX-QUFRXWBVSA-N	1	0	372.531	1.529	20	30		FDEDRO
C=CCOC1CCC([N@@H+]2C[C@@H](NC(=O)c3cnccn3)[C@H]3COC[C@H]32)CC1	ZINC001173321482	962004665	/nfs/dbraw/zinc/00/46/65/962004665.db2.gz	MVUUNKJWXTWQMC-VCIBQBEUSA-N	1	0	372.469	1.419	20	30		FDEDRO
C=CCOC1CCC([N@@H+]2C[C@H](C(=O)N(C)C)C3(CN(C(C)=O)C3)C2)CC1	ZINC001173323681	962004691	/nfs/dbraw/zinc/00/46/91/962004691.db2.gz	GCDOFIKYYYGOEH-DAWZGUTISA-N	1	0	363.502	1.369	20	30		FDEDRO
COc1ccc(C(=O)N2CCC([NH2+][C@@H](CC(C)C)C(=O)NO)CC2)cc1	ZINC001173403426	962082804	/nfs/dbraw/zinc/08/28/04/962082804.db2.gz	NRWMMPYILBKUBP-KRWDZBQOSA-N	1	0	363.458	1.810	20	30		FDEDRO
COC(=O)[C@@H](CCCC[NH3+])NC1CCN(C(=O)c2ccc(C#N)cc2)CC1	ZINC001173423809	962123306	/nfs/dbraw/zinc/12/33/06/962123306.db2.gz	MZRMZSXUWJOJRE-GOSISDBHSA-N	1	0	372.469	1.423	20	30		FDEDRO
COC(=O)CCC(=O)C[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1	ZINC001173426430	962136183	/nfs/dbraw/zinc/13/61/83/962136183.db2.gz	YXPSQQCANSCFNF-UHFFFAOYSA-N	1	0	357.410	1.275	20	30		FDEDRO
COC(=O)C[C@@H]1CN(C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CCO1	ZINC001173432704	962152835	/nfs/dbraw/zinc/15/28/35/962152835.db2.gz	HEIFOOKAXHPUKC-GOSISDBHSA-N	1	0	371.437	1.427	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@]1(C)C[NH2+]CC#Cc1ccc(F)cc1	ZINC001182623774	962334305	/nfs/dbraw/zinc/33/43/05/962334305.db2.gz	WOOHCKYPHIXHCV-WMIGDMCZSA-N	1	0	371.456	1.373	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)CO1	ZINC001183048130	962761647	/nfs/dbraw/zinc/76/16/47/962761647.db2.gz	UZPNQRLNISKLGL-PMPSAXMXSA-N	1	0	367.490	1.825	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2C[C@H]2c2ccc(OC)cc2)C1	ZINC001183377500	963025420	/nfs/dbraw/zinc/02/54/20/963025420.db2.gz	BTYDULWIOOYXNB-SCTDSRPQSA-N	1	0	369.465	1.129	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC1CCCCC1	ZINC001110182888	963096378	/nfs/dbraw/zinc/09/63/78/963096378.db2.gz	DASQUQUTISEAST-BGTYHANMSA-N	1	0	363.502	1.748	20	30		FDEDRO
C[C@H](CCCC[NH2+]Cc1cc(F)ccc1C#N)NC(=O)[C@H]1C[C@H]1C(N)=O	ZINC001175288788	963123429	/nfs/dbraw/zinc/12/34/29/963123429.db2.gz	NDSGOJPDGRRFOX-JLZZUVOBSA-N	1	0	360.433	1.583	20	30		FDEDRO
CCOC(=O)C1(NC(=O)[C@H](C#N)Cc2ccc(O)cc2)CC[NH+](C)CC1	ZINC001183611907	963143807	/nfs/dbraw/zinc/14/38/07/963143807.db2.gz	ABFYXESRJGOGSM-HNNXBMFYSA-N	1	0	359.426	1.218	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cccnc1	ZINC001175396653	963158471	/nfs/dbraw/zinc/15/84/71/963158471.db2.gz	MKVSTHPXRXLAPQ-RYQLBKOJSA-N	1	0	358.486	1.752	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1nnnn1C(C)C	ZINC001175358747	963164139	/nfs/dbraw/zinc/16/41/39/963164139.db2.gz	OFGHOMQYCYIXMZ-XHSDSOJGSA-N	1	0	364.494	1.610	20	30		FDEDRO
NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CC[C@@H]([NH2+]CC#Cc3ccccc3)C2)O1	ZINC001184389782	963574628	/nfs/dbraw/zinc/57/46/28/963574628.db2.gz	UIXKBHVSKSIVJD-QRVBRYPASA-N	1	0	369.465	1.042	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)C1	ZINC001184462969	963626390	/nfs/dbraw/zinc/62/63/90/963626390.db2.gz	XTZSIDKFRQWHMB-YZGWKJHDSA-N	1	0	355.482	1.696	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](CC(=O)NC)CC2	ZINC000957550177	1013444219	/nfs/dbraw/zinc/44/42/19/1013444219.db2.gz	MLUCDPYJFATPBA-SJORKVTESA-N	1	0	363.502	1.418	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1CCCC1=O	ZINC001110367301	964066937	/nfs/dbraw/zinc/06/69/37/964066937.db2.gz	BOPWWNMFLKDMSI-MLHJIOFPSA-N	1	0	363.502	1.702	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)c2ccccc2)C1	ZINC001185759589	964090235	/nfs/dbraw/zinc/09/02/35/964090235.db2.gz	YDOCKZLKHWWQCD-NXHRZFHOSA-N	1	0	357.454	1.431	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C(C)C)C(C)C)C1	ZINC001185758541	964090543	/nfs/dbraw/zinc/09/05/43/964090543.db2.gz	FUANHGWCXABRHQ-ZACQAIPSSA-N	1	0	351.491	1.413	20	30		FDEDRO
C=CCC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@H]3OCC[C@H]3CC)C2)nn1	ZINC001185953432	964212995	/nfs/dbraw/zinc/21/29/95/964212995.db2.gz	HCNMDHWDQOQLDA-NJAFHUGGSA-N	1	0	361.490	1.922	20	30		FDEDRO
C=CCNCc1cn([C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nn1	ZINC001185955426	964215537	/nfs/dbraw/zinc/21/55/37/964215537.db2.gz	TVDSGZFNPRMDBA-OKZBNKHCSA-N	1	0	360.506	1.448	20	30		FDEDRO
C#CCC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]3C[C@H]3C3CCC3)C2)nn1	ZINC001186019262	964255620	/nfs/dbraw/zinc/25/56/20/964255620.db2.gz	OMQDAKFUCCTAGF-GBESFXJTSA-N	1	0	355.486	1.991	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2	ZINC001178527523	964277860	/nfs/dbraw/zinc/27/78/60/964277860.db2.gz	NYGIEHCCPKZRJF-AKHDSKFASA-N	1	0	359.514	1.993	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H](O)CN(C(=O)OC(C)(C)C)C1	ZINC001178665110	964350592	/nfs/dbraw/zinc/35/05/92/964350592.db2.gz	BWRKWXAWJPAMFE-OWCLPIDISA-N	1	0	367.490	1.371	20	30		FDEDRO
O=C(C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)C1)NCC#Cc1ccccc1	ZINC001186227975	964363139	/nfs/dbraw/zinc/36/31/39/964363139.db2.gz	BRNCHSOIAKTTCZ-HSALFYBXSA-N	1	0	365.477	1.391	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCCCCn2cncn2)C1	ZINC001186243481	964370936	/nfs/dbraw/zinc/37/09/36/964370936.db2.gz	ICSJUGCWVKYMMO-SQNIBIBYSA-N	1	0	361.490	1.620	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[C@H](c3ccccc3)O2)[C@H]1C	ZINC001178719174	964396995	/nfs/dbraw/zinc/39/69/95/964396995.db2.gz	UQIHYHWMXYRHIW-KANFNMMFSA-N	1	0	371.481	1.788	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)CC12CCOCC2	ZINC001186410170	964479411	/nfs/dbraw/zinc/47/94/11/964479411.db2.gz	PCBXYXKINNQRTA-BZSNNMDCSA-N	1	0	366.502	1.601	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@H]3C[N@@H+](CC)CC3(C)C)cc2C1=O	ZINC001178861393	964535472	/nfs/dbraw/zinc/53/54/72/964535472.db2.gz	XAVNXDLCDWGUSN-INIZCTEOSA-N	1	0	355.438	1.929	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)cc1	ZINC000957569345	1013505059	/nfs/dbraw/zinc/50/50/59/1013505059.db2.gz	AHUGHRNGPXDKSU-ATZDWAIDSA-N	1	0	353.466	1.729	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCCC1	ZINC000775036003	964589850	/nfs/dbraw/zinc/58/98/50/964589850.db2.gz	IVRMEESGXIHOSI-SFHVURJKSA-N	1	0	353.466	1.782	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CCO[C@H]1CC	ZINC001179089719	964712048	/nfs/dbraw/zinc/71/20/48/964712048.db2.gz	KHLWYKSTTMQUJJ-ZACQAIPSSA-N	1	0	351.491	1.206	20	30		FDEDRO
COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@]23CCOc2ccccc23)[C@H]1C	ZINC001179122183	964729687	/nfs/dbraw/zinc/72/96/87/964729687.db2.gz	VOZDAWPYJSYLGA-FUOQNJDISA-N	1	0	368.477	1.956	20	30		FDEDRO
C[NH+](C)CCCn1cc(-n2c(Br)c(C#N)c(N)cc2=N)cn1	ZINC001186848997	964770715	/nfs/dbraw/zinc/77/07/15/964770715.db2.gz	VWYRNUHODUERAZ-UHFFFAOYSA-N	1	0	364.251	1.321	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@@H](C)C(=O)NC1CCCCC1	ZINC001110384947	964781786	/nfs/dbraw/zinc/78/17/86/964781786.db2.gz	FVJRUDONVDJFKW-HPBDAGMYSA-N	1	0	363.502	1.748	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C2	ZINC001110386325	964846831	/nfs/dbraw/zinc/84/68/31/964846831.db2.gz	MSKSAJQPBACDIF-ZJPYXAASSA-N	1	0	362.518	1.227	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CCCCCCNC(=O)[C@H]2C[C@H]2C(N)=O)cc1F	ZINC001179601452	964924236	/nfs/dbraw/zinc/92/42/36/964924236.db2.gz	CZAQIOCMDGKVBG-CVEARBPZSA-N	1	0	360.433	1.585	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCSCC)[C@@H]3C2)C1=O	ZINC001187023845	964933928	/nfs/dbraw/zinc/93/39/28/964933928.db2.gz	NONOMSCVHYCUPN-HRCADAONSA-N	1	0	351.516	1.449	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1	ZINC001179649512	964934098	/nfs/dbraw/zinc/93/40/98/964934098.db2.gz	GCMFEXDBOWHGLA-DLBZAZTESA-N	1	0	361.490	1.092	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+][C@@H]1CCN(CC)C1=O	ZINC001179634277	964941033	/nfs/dbraw/zinc/94/10/33/964941033.db2.gz	PYUPEUYTFTUNKP-ZACQAIPSSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCCNCc1nc(N(C)C)no1	ZINC001179634546	964941097	/nfs/dbraw/zinc/94/10/97/964941097.db2.gz	STGLZHKADKKZOF-CABCVRRESA-N	1	0	365.478	1.493	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+]CC(=O)NC1CCCC1	ZINC001179633694	964941131	/nfs/dbraw/zinc/94/11/31/964941131.db2.gz	HVHMHBLCGAGEDU-MSOLQXFVSA-N	1	0	365.518	1.903	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1ccn(C)c(=O)c1	ZINC001179633719	964941145	/nfs/dbraw/zinc/94/11/45/964941145.db2.gz	JIHZTHYMICBHSO-MSOLQXFVSA-N	1	0	361.486	1.743	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+]CCNC(=O)C1CC1	ZINC001179637876	964941762	/nfs/dbraw/zinc/94/17/62/964941762.db2.gz	BNFSMFVMPKZDEM-SJORKVTESA-N	1	0	351.491	1.370	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+]CC(=O)NCC(C)C	ZINC001179638091	964942041	/nfs/dbraw/zinc/94/20/41/964942041.db2.gz	IKYAADFKBKYOAZ-SJORKVTESA-N	1	0	353.507	1.616	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2C)[C@H]1C	ZINC001179695082	964946329	/nfs/dbraw/zinc/94/63/29/964946329.db2.gz	KGZSQKXWDMCZFO-KANFNMMFSA-N	1	0	353.466	1.427	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCCCC[NH2+][C@@H]1CCN(CC)C1=O	ZINC001179797260	964992993	/nfs/dbraw/zinc/99/29/93/964992993.db2.gz	TWTDUFHWXFSIMC-KSZLIROESA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1CCO[C@H]1C(=C)C	ZINC001179797299	964993177	/nfs/dbraw/zinc/99/31/77/964993177.db2.gz	VQNIVTDRZXMXKN-WMZOPIPTSA-N	1	0	351.491	1.536	20	30		FDEDRO
C[C@@H](C#N)C(=O)N([C@@H]1CCC12CC[NH2+]CC2)S(=O)(=O)c1ccccc1	ZINC001179888690	965015856	/nfs/dbraw/zinc/01/58/56/965015856.db2.gz	AKNTVWDCMSITOP-GOEBONIOSA-N	1	0	361.467	1.896	20	30		FDEDRO
COCC#CC(=O)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1	ZINC001187125518	965030084	/nfs/dbraw/zinc/03/00/84/965030084.db2.gz	MUNMNDZMCVYJLJ-GOSISDBHSA-N	1	0	363.408	1.791	20	30		FDEDRO
CC(C)COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1	ZINC001187465242	965378878	/nfs/dbraw/zinc/37/88/78/965378878.db2.gz	CMSGGQWRSCUWDU-LZLYRXPVSA-N	1	0	360.458	1.066	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C)ccc3C)C[C@H]21	ZINC001187591093	965509994	/nfs/dbraw/zinc/50/99/94/965509994.db2.gz	APGOQQQDJQHZDU-PKOBYXMFSA-N	1	0	353.466	1.476	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C)sc3C)C[C@H]21	ZINC001187598344	965520149	/nfs/dbraw/zinc/52/01/49/965520149.db2.gz	NCYSMNRSJJBEKI-DOTOQJQBSA-N	1	0	359.495	1.537	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(COC)c3)C[C@H]21	ZINC001187598574	965522664	/nfs/dbraw/zinc/52/26/64/965522664.db2.gz	TZYWMCWVBRDQCS-RBUKOAKNSA-N	1	0	369.465	1.005	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)SC)[C@@H]2C1	ZINC001187561626	965528203	/nfs/dbraw/zinc/52/82/03/965528203.db2.gz	ONNHSGXVOLJGIQ-YESZJQIVSA-N	1	0	365.543	1.861	20	30		FDEDRO
CCN(CCC#N)C(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)C(C)(C)F)C1	ZINC001111560228	965652691	/nfs/dbraw/zinc/65/26/91/965652691.db2.gz	RKXKXJZGNFJPSA-KSSFIOAISA-N	1	0	352.454	1.467	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C(=O)NC)cc3)C[C@H]21	ZINC001187730039	965672157	/nfs/dbraw/zinc/67/21/57/965672157.db2.gz	ZYRLLRSPUIBRAV-RBUKOAKNSA-N	1	0	353.466	1.882	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CC[C@H]2CN(Cc3nc4c(o3)CCCC4)C[C@H]21	ZINC001187763124	965728229	/nfs/dbraw/zinc/72/82/29/965728229.db2.gz	JMNKETWRIKFFRV-YYFZDKIDSA-N	1	0	359.470	1.913	20	30		FDEDRO
CC(C)C#CC(=O)N1CC[C@H]2C[N@H+](CCCNC(=O)C(F)(F)F)C[C@H]21	ZINC001187841094	965782026	/nfs/dbraw/zinc/78/20/26/965782026.db2.gz	SMQOJUOUSSPTHL-UONOGXRCSA-N	1	0	359.392	1.247	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)cc1	ZINC001187848917	965786583	/nfs/dbraw/zinc/78/65/83/965786583.db2.gz	FFHAPYUSUGJIFD-YTQUADARSA-N	1	0	367.449	1.124	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(OC)c(F)c3)C[C@H]21	ZINC001187864530	965805418	/nfs/dbraw/zinc/80/54/18/965805418.db2.gz	CLCVKCLYTJGQNS-FUHWJXTLSA-N	1	0	360.429	1.907	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cccc4c3OCCO4)C[C@H]21	ZINC001187865447	965809145	/nfs/dbraw/zinc/80/91/45/965809145.db2.gz	OMFRHTUBOFFGSG-XYJFISCASA-N	1	0	370.449	1.529	20	30		FDEDRO
C=CCCOCCCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21	ZINC001187903745	965844008	/nfs/dbraw/zinc/84/40/08/965844008.db2.gz	JBWVDOLJELSAPN-RCCFBDPRSA-N	1	0	363.502	1.513	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@H+](CCOCc3ccccc3)C[C@H]21	ZINC001187874595	965871009	/nfs/dbraw/zinc/87/10/09/965871009.db2.gz	XQNUPSZYLAEVHI-VQTJNVASSA-N	1	0	356.466	1.776	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)c3ccc(CC)cc3)C[C@H]21	ZINC001187874310	965871198	/nfs/dbraw/zinc/87/11/98/965871198.db2.gz	RNYFMPUAYDPYPI-PWRODBHTSA-N	1	0	370.493	1.855	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CNC(=O)c3ccoc3C)[C@@H]2C1	ZINC001188004377	965957239	/nfs/dbraw/zinc/95/72/39/965957239.db2.gz	HOCXLMQAEHNCDQ-DOTOQJQBSA-N	1	0	361.442	1.053	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3Cc4ccccc4O3)[C@@H]2C1	ZINC001188005225	965959947	/nfs/dbraw/zinc/95/99/47/965959947.db2.gz	UQUSQRNZDHZTLC-GBESFXJTSA-N	1	0	354.450	1.563	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)NC(=O)C3CCCC3)[C@@H]2C1	ZINC001188033151	965981495	/nfs/dbraw/zinc/98/14/95/965981495.db2.gz	CVSLUUQPDQWFJY-RYQLBKOJSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C)CCC(=O)N1CC[C@H]2CN(CC[C@H]3CCS(=O)(=O)C3)C[C@H]21	ZINC001188080959	965996315	/nfs/dbraw/zinc/99/63/15/965996315.db2.gz	RQJDFOXXYAZOLT-YESZJQIVSA-N	1	0	354.516	1.700	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)[C@@H]2C1	ZINC001188094881	966005142	/nfs/dbraw/zinc/00/51/42/966005142.db2.gz	CLYUWKGLSKSSNX-GVDBMIGSSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCN3C(=O)CCC3=O)[C@@H]2C1	ZINC001188485337	966313950	/nfs/dbraw/zinc/31/39/50/966313950.db2.gz	IXKDHAQDYQIFDH-DLBZAZTESA-N	1	0	361.486	1.805	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)[C@@H]2C1	ZINC001188470674	966341915	/nfs/dbraw/zinc/34/19/15/966341915.db2.gz	RHZWVGKMCDOLCF-JKSUJKDBSA-N	1	0	360.458	1.228	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn4ccccc34)[C@@H]2C1	ZINC001188517780	966351091	/nfs/dbraw/zinc/35/10/91/966351091.db2.gz	DGKZQTZLOBPKFK-TXPKVOOTSA-N	1	0	366.465	1.776	20	30		FDEDRO
C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1	ZINC000775188812	966494665	/nfs/dbraw/zinc/49/46/65/966494665.db2.gz	DPPPMINRJMHGDE-MRXNPFEDSA-N	1	0	374.485	1.068	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CCNC(=O)C(C)(C)C)[C@@H]2C1	ZINC001188752869	966523628	/nfs/dbraw/zinc/52/36/28/966523628.db2.gz	LDXMAZJINDSAOH-JKSUJKDBSA-N	1	0	351.491	1.274	20	30		FDEDRO
COc1ccccc1CNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C#N)C2	ZINC001110401838	966556524	/nfs/dbraw/zinc/55/65/24/966556524.db2.gz	PIVYGBAWJMAGMM-DZUCGIPZSA-N	1	0	370.453	1.193	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cc(C)cc(C)c3)[C@@H]2C1	ZINC001189013148	966700744	/nfs/dbraw/zinc/70/07/44/966700744.db2.gz	XAAOJVJFMNHLNK-YSIASYRMSA-N	1	0	367.493	1.517	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1	ZINC000775216887	966729055	/nfs/dbraw/zinc/72/90/55/966729055.db2.gz	KNSRLHNFPODWQP-NRFANRHFSA-N	1	0	369.509	1.918	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3CN(CC(=O)NCC(C)(C)C)C[C@H]32)c1	ZINC001189076954	966751550	/nfs/dbraw/zinc/75/15/50/966751550.db2.gz	FQXNQKRYNGETFS-FUHWJXTLSA-N	1	0	368.481	1.372	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]32)c1	ZINC001189077618	966752750	/nfs/dbraw/zinc/75/27/50/966752750.db2.gz	UWNXWHYUHBIWCU-VDZJLULYSA-N	1	0	368.481	1.465	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)c3ccncc3Cl)[C@@H]2C1	ZINC001189223596	966834736	/nfs/dbraw/zinc/83/47/36/966834736.db2.gz	GAZABIPIDXSZAM-HEHGZKQESA-N	1	0	360.845	1.019	20	30		FDEDRO
C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1	ZINC001189312557	966905135	/nfs/dbraw/zinc/90/51/35/966905135.db2.gz	VKSJLRNQODQWMO-OKZBNKHCSA-N	1	0	362.518	1.086	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)c3cc(CCC)on3)[C@@H]2C1	ZINC001189598096	967067588	/nfs/dbraw/zinc/06/75/88/967067588.db2.gz	OOCMALFPJPXTOW-GRDNDAEWSA-N	1	0	360.458	1.464	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3n[nH]c4c3C[C@@H](C)CC4)[C@@H]2C1	ZINC001189597695	967067930	/nfs/dbraw/zinc/06/79/30/967067930.db2.gz	MDKNMQTWDPBKIK-RLFYNMQTSA-N	1	0	358.486	1.883	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3c4ccccc4nn3C)[C@@H]2C1	ZINC001189639717	967099903	/nfs/dbraw/zinc/09/99/03/967099903.db2.gz	CPJBHWLJCXAGII-MAUKXSAKSA-N	1	0	354.454	1.922	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC(=O)NC3=O)[C@@H]2C1	ZINC001189659539	967169616	/nfs/dbraw/zinc/16/96/16/967169616.db2.gz	CCOLSSWNTQTLJO-JKSUJKDBSA-N	1	0	362.474	1.207	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852359898	967250557	/nfs/dbraw/zinc/25/05/57/967250557.db2.gz	PALKATSZESIXQS-UHFFFAOYSA-N	1	0	358.486	1.402	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(NC(C)=O)c3C)[C@@H]2C1	ZINC001189787599	967268981	/nfs/dbraw/zinc/26/89/81/967268981.db2.gz	RDGIUIYIGFVYEW-FXAWDEMLSA-N	1	0	369.465	1.750	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(=O)[nH]c3ncn(C)c31)C2	ZINC001110647678	967271327	/nfs/dbraw/zinc/27/13/27/967271327.db2.gz	JIYKYKGBINRNJY-YUELXQCFSA-N	1	0	371.441	1.212	20	30		FDEDRO
C#CCCN1CCN(CC(=O)NCC2(c3ccccc3)CCOCC2)CC1	ZINC000776593152	967276583	/nfs/dbraw/zinc/27/65/83/967276583.db2.gz	RUFKQONFGCTZFI-UHFFFAOYSA-N	1	0	369.509	1.492	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)n1	ZINC000852413351	967283938	/nfs/dbraw/zinc/28/39/38/967283938.db2.gz	UFLFJGYFONJRAC-KRWDZBQOSA-N	1	0	361.490	1.547	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CCOC[C@H]4CCCO4)C[C@H]32)cn1	ZINC001189851357	967352390	/nfs/dbraw/zinc/35/23/90/967352390.db2.gz	IDXHGISSMKOZLE-DFQSSKMNSA-N	1	0	369.465	1.405	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)n1	ZINC000852469929	967353719	/nfs/dbraw/zinc/35/37/19/967353719.db2.gz	YHOHLHHUZVYRPD-MRXNPFEDSA-N	1	0	361.490	1.547	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@H+]2CC[C@](C)(c3cccc(OC)c3)C2)CC1	ZINC000852536524	967406477	/nfs/dbraw/zinc/40/64/77/967406477.db2.gz	WQZRMKLEZLJSRY-NRFANRHFSA-N	1	0	355.482	1.436	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3ncncc3C1)C2	ZINC001110650842	967416174	/nfs/dbraw/zinc/41/61/74/967416174.db2.gz	AIXZTZMOAQZHSA-OPNNQBFTSA-N	1	0	356.470	1.506	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc4c(c3)COC4)[C@@H]2C1	ZINC001189936920	967437443	/nfs/dbraw/zinc/43/74/43/967437443.db2.gz	OCIAWPYUQQHNTN-FXAWDEMLSA-N	1	0	354.450	1.442	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1	ZINC000852600517	967457792	/nfs/dbraw/zinc/45/77/92/967457792.db2.gz	JCMMBZSTGTYWEU-UKRRQHHQSA-N	1	0	373.419	1.637	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3ncccn3)CC2)cc1	ZINC000852624462	967479005	/nfs/dbraw/zinc/47/90/05/967479005.db2.gz	HLBJTAGJAVUKBR-UHFFFAOYSA-N	1	0	350.426	1.766	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4ccccc4)n3)[C@@H]2C1	ZINC001190089690	967527280	/nfs/dbraw/zinc/52/72/80/967527280.db2.gz	FDMPAJDVUYPLFK-QFBILLFUSA-N	1	0	367.453	1.616	20	30		FDEDRO
COc1cc(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)ccc1C#N	ZINC000852772455	967596473	/nfs/dbraw/zinc/59/64/73/967596473.db2.gz	KNWALTANUGLUME-PBHICJAKSA-N	1	0	370.453	1.287	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CC2([NH3+])CC2)c1	ZINC000852817970	967630668	/nfs/dbraw/zinc/63/06/68/967630668.db2.gz	MQSBWBWUJWTMNO-RGEXLXHISA-N	1	0	350.444	1.319	20	30		FDEDRO
O=C(NC1CCCCC1)NC1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1	ZINC000852821369	967632554	/nfs/dbraw/zinc/63/25/54/967632554.db2.gz	LVDKDPHSPQYXJZ-UHFFFAOYSA-N	1	0	360.502	1.612	20	30		FDEDRO
CCOc1ccc(C[C@@H](CNC(=O)C#CC2CC[NH2+]CC2)C(=O)OC)cc1	ZINC000852822328	967633313	/nfs/dbraw/zinc/63/33/13/967633313.db2.gz	OTJOIFUAXAJIGX-SFHVURJKSA-N	1	0	372.465	1.536	20	30		FDEDRO
N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cc(-c2cccc(Br)c2)no1	ZINC000852827865	967638750	/nfs/dbraw/zinc/63/87/50/967638750.db2.gz	QOSSWPBLNYSEBU-ZWNOBZJWSA-N	1	0	361.199	1.945	20	30		FDEDRO
N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cc(-c2cccc(Br)c2)no1	ZINC000852827862	967638817	/nfs/dbraw/zinc/63/88/17/967638817.db2.gz	QOSSWPBLNYSEBU-GXFFZTMASA-N	1	0	361.199	1.945	20	30		FDEDRO
C=CC[C@]1(C(=O)Nc2cccc(OCCS(C)(=O)=O)c2)CCC[NH2+]1	ZINC000852828549	967639492	/nfs/dbraw/zinc/63/94/92/967639492.db2.gz	YQWNZCDSXZMDDB-QGZVFWFLSA-N	1	0	352.456	1.747	20	30		FDEDRO
COc1ccc(CCNC(=O)C#CC2CC[NH2+]CC2)cc1OC(F)F	ZINC000852831060	967641790	/nfs/dbraw/zinc/64/17/90/967641790.db2.gz	OTDHQFGBKRRDRG-UHFFFAOYSA-N	1	0	352.381	1.958	20	30		FDEDRO
C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1	ZINC001190230370	967645959	/nfs/dbraw/zinc/64/59/59/967645959.db2.gz	XRARGICMPGRYTB-QRVBRYPASA-N	1	0	359.470	1.895	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852849041	967655143	/nfs/dbraw/zinc/65/51/43/967655143.db2.gz	BRVFUNNKUROWBZ-LJQANCHMSA-N	1	0	353.466	1.339	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCC[NH2+]1	ZINC000852860317	967666615	/nfs/dbraw/zinc/66/66/15/967666615.db2.gz	BQRJOHDZAQEKPN-UWJYYQICSA-N	1	0	370.497	1.703	20	30		FDEDRO
C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)C#CC1CC[NH2+]CC1	ZINC000852873343	967680228	/nfs/dbraw/zinc/68/02/28/967680228.db2.gz	SOOVGVQEBOWUJM-SFHVURJKSA-N	1	0	354.498	1.316	20	30		FDEDRO
COC(=O)CN(Cc1cc(OC)cc(OC)c1)C(=O)C#CC1CC[NH2+]CC1	ZINC000852883344	967686919	/nfs/dbraw/zinc/68/69/19/967686919.db2.gz	ISQDJLBHEKZMJO-UHFFFAOYSA-N	1	0	374.437	1.208	20	30		FDEDRO
CC(=O)N1CCN(Cc2ccccc2NC(=O)C#CC2CC[NH2+]CC2)CC1	ZINC000852889363	967692384	/nfs/dbraw/zinc/69/23/84/967692384.db2.gz	NSANWRKHSAHKLC-UHFFFAOYSA-N	1	0	368.481	1.292	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CNC(=O)c3ccccn3)[C@@H]2C1	ZINC001190305307	967720706	/nfs/dbraw/zinc/72/07/06/967720706.db2.gz	MSDRWNGTTXCWAZ-XYJFISCASA-N	1	0	356.470	1.699	20	30		FDEDRO
CN1CCC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CC#Cc4ccccc4)[C@@H]3C2)C1=O	ZINC001190311403	967724808	/nfs/dbraw/zinc/72/48/08/967724808.db2.gz	CBPUZUPVVZZPSK-SLFFLAALSA-N	1	0	365.477	1.582	20	30		FDEDRO
C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCN(C(=O)CC#Cc3ccccc3)[C@@H]2C1	ZINC001190290684	967740956	/nfs/dbraw/zinc/74/09/56/967740956.db2.gz	QNDJRPBTBHIYRF-NZSAHSFTSA-N	1	0	353.466	1.438	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCCn4cccc4)[C@@H]3C2)C1=O	ZINC001190297161	967745259	/nfs/dbraw/zinc/74/52/59/967745259.db2.gz	DVOBFEQWXXRDPY-IPMKNSEASA-N	1	0	370.497	1.588	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(C(C)(C)C)C3=O)C[C@H]21	ZINC001190430799	967844036	/nfs/dbraw/zinc/84/40/36/967844036.db2.gz	OKSISUKVPIXKOI-YESZJQIVSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccnc(N(C)C)c3)C[C@H]21	ZINC001190440076	967852111	/nfs/dbraw/zinc/85/21/11/967852111.db2.gz	GGGLOQIJGKLVQP-RYQLBKOJSA-N	1	0	358.486	1.771	20	30		FDEDRO
COC(=O)c1ccc(C=NNC(=S)NCCC[NH+](C)C)cc1Cl	ZINC000853306159	967964402	/nfs/dbraw/zinc/96/44/02/967964402.db2.gz	QXAOHVAOIYYUJS-UHFFFAOYSA-N	1	0	356.879	1.876	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3Cc4cccc(C)c4O3)[C@@H]2C1	ZINC001190588479	967970430	/nfs/dbraw/zinc/97/04/30/967970430.db2.gz	XMVZBJBIAYXTPC-OTWHNJEPSA-N	1	0	354.450	1.481	20	30		FDEDRO
C[C@@H]1C[NH+]=C(NN=C2CCc3ccc(I)cc32)N1	ZINC000853330274	967973212	/nfs/dbraw/zinc/97/32/12/967973212.db2.gz	LRIRECQDGBHDJC-MRVPVSSYSA-N	1	0	354.195	1.879	20	30		FDEDRO
Cc1c[nH+]ccc1N1CCN(S(=O)(=O)c2cc(C#N)ccc2F)CC1	ZINC001190642446	968000077	/nfs/dbraw/zinc/00/00/77/968000077.db2.gz	HDMJAFXZKYXTOQ-UHFFFAOYSA-N	1	0	360.414	1.912	20	30		FDEDRO
Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1	ZINC000853556619	968116240	/nfs/dbraw/zinc/11/62/40/968116240.db2.gz	GDOOUOMHBIMIDO-DLBZAZTESA-N	1	0	350.426	1.683	20	30		FDEDRO
CO[C@@H](CO[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1)[C@H]1CCOC1	ZINC000853673508	968240339	/nfs/dbraw/zinc/24/03/39/968240339.db2.gz	WKTWCSDVRPCXMF-YJBOKZPZSA-N	1	0	363.458	1.336	20	30		FDEDRO
O=C(COCC1CC1)N[C@@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@H]1O	ZINC001191293624	968402062	/nfs/dbraw/zinc/40/20/62/968402062.db2.gz	FBQCHDPVDXPGOX-QZTJIDSGSA-N	1	0	362.857	1.279	20	30		FDEDRO
C#C[C@H](NC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)[C@@H]1CCCO1	ZINC000854002993	968519581	/nfs/dbraw/zinc/51/95/81/968519581.db2.gz	DYFYFMVYXQLHIK-QYZOEREBSA-N	1	0	357.454	1.233	20	30		FDEDRO
C#C[C@H](CC)NC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1	ZINC000854073635	968574275	/nfs/dbraw/zinc/57/42/75/968574275.db2.gz	YYTCUDSNTKJCSR-MRXNPFEDSA-N	1	0	350.507	1.524	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH+]1CCC(c2nccc(-c3cnn(C)c3)n2)CC1	ZINC000854100838	968594540	/nfs/dbraw/zinc/59/45/40/968594540.db2.gz	YJTCYCDQJFFGLP-AWEZNQCLSA-N	1	0	352.442	1.194	20	30		FDEDRO
COC(=O)c1ccc(C[N@H+](C)Cc2cc(=O)n3ncc(C#N)c3[nH]2)cc1	ZINC001191699796	968730832	/nfs/dbraw/zinc/73/08/32/968730832.db2.gz	IARAQKJIUBVLFC-UHFFFAOYSA-N	1	0	351.366	1.725	20	30		FDEDRO
C[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccc(C#N)c(F)c1	ZINC000776738671	968923407	/nfs/dbraw/zinc/92/34/07/968923407.db2.gz	GPKXLIBOSOLUKU-ZDUSSCGKSA-N	1	0	353.463	1.857	20	30		FDEDRO
Cc1ncc(C(=O)N(CC(C)(C)[NH3+])S(=O)(=O)c2ccccc2)cc1C#N	ZINC001192300188	969028012	/nfs/dbraw/zinc/02/80/12/969028012.db2.gz	NNCFRWZMGUYIOV-UHFFFAOYSA-N	1	0	372.450	1.830	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@H]1O	ZINC001192320786	969060845	/nfs/dbraw/zinc/06/08/45/969060845.db2.gz	KXLKAQVRFUZSRI-RTBURBONSA-N	1	0	350.503	1.938	20	30		FDEDRO
N#Cc1ccccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1COC(=O)C1)C2	ZINC001095312951	969118324	/nfs/dbraw/zinc/11/83/24/969118324.db2.gz	HRDBEJHXZHFOKF-ZSGPHXLJSA-N	1	0	353.422	1.733	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C3CCC3)cc2)C[C@H]1O	ZINC001192530988	969175734	/nfs/dbraw/zinc/17/57/34/969175734.db2.gz	RRARQPKLNZSUTF-SBHAEUEKSA-N	1	0	358.482	1.943	20	30		FDEDRO
CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(=O)c4ccc(C#N)o4)C3)O2)CC1	ZINC001192677083	969226810	/nfs/dbraw/zinc/22/68/10/969226810.db2.gz	YZOFIVOSAJGOOG-YLJYHZDGSA-N	1	0	372.469	1.552	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c(C)nc3ccccc32)C1	ZINC001192813116	969312099	/nfs/dbraw/zinc/31/20/99/969312099.db2.gz	FCQBWZJZBSVMFV-LSBZLQRGSA-N	1	0	356.470	1.861	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1CN([C@@H](CC)c2ccc(Cl)cc2)C[C@H]1O	ZINC001192878816	969329252	/nfs/dbraw/zinc/32/92/52/969329252.db2.gz	MTUVSTZCHQPNEC-FGTMMUONSA-N	1	0	364.873	1.992	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc3ccccc3s2)C[C@H]1O	ZINC001192892401	969352121	/nfs/dbraw/zinc/35/21/21/969352121.db2.gz	XEAVHXUKLWUZIK-KBRIMQKVSA-N	1	0	358.463	1.601	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCCCOc2ccccc2)C[C@H]1O	ZINC001192899151	969353567	/nfs/dbraw/zinc/35/35/67/969353567.db2.gz	JLAINDCGGFVVOY-BHIYHBOVSA-N	1	0	360.454	1.045	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@@H](c2ccccc2)C(C)(C)C(=O)OC)CC1	ZINC000775552604	969363225	/nfs/dbraw/zinc/36/32/25/969363225.db2.gz	IXBXQACANPWSTN-IBGZPJMESA-N	1	0	371.481	1.294	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2coc3cc(F)ccc23)C1	ZINC001192879344	969366666	/nfs/dbraw/zinc/36/66/66/969366666.db2.gz	XMHZUBVBHMNQPV-IAGOWNOFSA-N	1	0	362.401	1.478	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC(=O)N3CCCC[C@H]23)c(OC)c1	ZINC000644641324	1013876682	/nfs/dbraw/zinc/87/66/82/1013876682.db2.gz	QXNVOBFTHOZFTJ-KZNAEPCWSA-N	1	0	374.481	1.906	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c(n2)CCCC3)C1	ZINC001193109809	969474575	/nfs/dbraw/zinc/47/45/75/969474575.db2.gz	BYAHRVQRWJLCRK-QZTJIDSGSA-N	1	0	360.502	1.670	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O	ZINC001193345845	969646703	/nfs/dbraw/zinc/64/67/03/969646703.db2.gz	XVMCLXZFWVPSNI-QZTJIDSGSA-N	1	0	358.482	1.928	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)OCCO3)C[C@H]1O	ZINC001193400367	969681947	/nfs/dbraw/zinc/68/19/47/969681947.db2.gz	NDJJSLLTPQTJEE-IAGOWNOFSA-N	1	0	360.454	1.518	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(NC(=O)CC)c2)C1	ZINC001193472665	969709055	/nfs/dbraw/zinc/70/90/55/969709055.db2.gz	FLGUSVYQTKAKEA-IAGOWNOFSA-N	1	0	361.442	1.013	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccc(C(F)F)n2)C1	ZINC001193613345	969767316	/nfs/dbraw/zinc/76/73/16/969767316.db2.gz	WZUHNFBXWRPUKT-HUUCEWRRSA-N	1	0	356.417	1.728	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](C[C@H](OC)c3ccccc3)C[C@H]2O)CCC1	ZINC001193684949	969811461	/nfs/dbraw/zinc/81/14/61/969811461.db2.gz	HIWNKBYABSRMHI-QRVBRYPASA-N	1	0	356.466	1.729	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC(F)(F)F)c2)C1	ZINC001193791685	969851773	/nfs/dbraw/zinc/85/17/73/969851773.db2.gz	OPSCPEGHORFFTL-MRVWCRGKSA-N	1	0	360.380	1.575	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ncc(C(C)(C)C)o2)C1	ZINC001193843201	969868770	/nfs/dbraw/zinc/86/87/70/969868770.db2.gz	RVNMZGORHUYJMW-HUUCEWRRSA-N	1	0	365.474	1.269	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2c(C)csc2=O)C1	ZINC001193805047	969873047	/nfs/dbraw/zinc/87/30/47/969873047.db2.gz	ITFYKQUSULORRK-HZPDHXFCSA-N	1	0	369.531	1.740	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)NC(=O)CO3)C1	ZINC001193891952	969909409	/nfs/dbraw/zinc/90/94/09/969909409.db2.gz	BCBVSAVFWWZHIS-DAXOMENPSA-N	1	0	359.426	1.147	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)NC(=O)CO3)C1	ZINC001193891951	969909577	/nfs/dbraw/zinc/90/95/77/969909577.db2.gz	BCBVSAVFWWZHIS-APHBMKBZSA-N	1	0	359.426	1.147	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1O	ZINC001193902626	969915958	/nfs/dbraw/zinc/91/59/58/969915958.db2.gz	VGZZHOPTZAYQRI-GUDVDZBRSA-N	1	0	356.470	1.094	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCc2cc(C)on2)C1	ZINC001194053958	969976463	/nfs/dbraw/zinc/97/64/63/969976463.db2.gz	FPRDMCWOONSEMH-IAGOWNOFSA-N	1	0	353.463	1.631	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC/C=C\c2ccccc2)C1	ZINC001194063387	969982136	/nfs/dbraw/zinc/98/21/36/969982136.db2.gz	NIPZJZSLLKEYCF-ZHHAWYBESA-N	1	0	360.454	1.080	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3c(C)c(C)[nH]c32)C1	ZINC001194184457	970035356	/nfs/dbraw/zinc/03/53/56/970035356.db2.gz	GWJWKRNIYJOXOV-QZTJIDSGSA-N	1	0	357.454	1.762	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(NC(C)=O)CCCCC2)C1	ZINC001194226661	970055851	/nfs/dbraw/zinc/05/58/51/970055851.db2.gz	AMSJYVXPPSPYEG-DJIMGWMZSA-N	1	0	351.491	1.341	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(OC)ccnc2OC)C1	ZINC001194625318	970275251	/nfs/dbraw/zinc/27/52/51/970275251.db2.gz	LKVACPVHSKSTHA-HUUCEWRRSA-N	1	0	365.474	1.844	20	30		FDEDRO
C#CCOc1ccc(C[NH2+]CCCN2CCN(c3ncccn3)CC2)cc1	ZINC000113320025	970331119	/nfs/dbraw/zinc/33/11/19/970331119.db2.gz	LBUUPOYAHFXNAS-UHFFFAOYSA-N	1	0	365.481	1.791	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)[nH]nc2C(F)(F)F)C1	ZINC001194744786	970350502	/nfs/dbraw/zinc/35/05/02/970350502.db2.gz	DTARVYSLLBSQOW-YUSALJHKSA-N	1	0	360.380	1.867	20	30		FDEDRO
CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CC(=O)N(CCC#N)CCC#N)C1	ZINC000776824136	970552288	/nfs/dbraw/zinc/55/22/88/970552288.db2.gz	RVCBEFGZJQOOJR-JKSUJKDBSA-N	1	0	363.462	1.489	20	30		FDEDRO
CCOc1cccc(C[N@H+](CCO)Cc2cc(=O)n3ncc(C#N)c3[nH]2)c1	ZINC001195155983	970739181	/nfs/dbraw/zinc/73/91/81/970739181.db2.gz	RPEGAFMHQYGUPW-UHFFFAOYSA-N	1	0	367.409	1.700	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)c2ccccc2Cl)C1	ZINC001197934620	972560213	/nfs/dbraw/zinc/56/02/13/972560213.db2.gz	GWQDOOWPFBGISS-IAGOWNOFSA-N	1	0	366.889	1.982	20	30		FDEDRO
C#C[C@H](NCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[C@H]1CCCO1	ZINC000775807677	972643063	/nfs/dbraw/zinc/64/30/63/972643063.db2.gz	UPSJZDYDYIJJDE-DZGCQCFKSA-N	1	0	370.858	1.452	20	30		FDEDRO
COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1	ZINC000775809904	972657700	/nfs/dbraw/zinc/65/77/00/972657700.db2.gz	HEDUXZAKYLHEES-KRXQYRFLSA-N	1	0	352.479	1.886	20	30		FDEDRO
C[N@@H+]1CCC(N=Nc2ccc(S(=O)(=O)NC3CC3)cn2)CC1(C)C	ZINC000863078966	972663473	/nfs/dbraw/zinc/66/34/73/972663473.db2.gz	CJHVXTMDURWUMZ-UHFFFAOYSA-N	1	0	351.476	1.794	20	30		FDEDRO
CC(=NN[C@H]1CCCS(=O)(=O)C1)c1cccc(OCC[NH+](C)C)c1	ZINC000863130322	972672637	/nfs/dbraw/zinc/67/26/37/972672637.db2.gz	MOHHPDOONWPPIA-INIZCTEOSA-N	1	0	353.488	1.518	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N[C@@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@H]1O	ZINC001198020150	972694895	/nfs/dbraw/zinc/69/48/95/972694895.db2.gz	HICIJOOEGGMTFD-QZTJIDSGSA-N	1	0	363.889	1.195	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(F)cccc2Cl)C1	ZINC001198081801	972736684	/nfs/dbraw/zinc/73/66/84/972736684.db2.gz	UPRBSLMFWFVXAN-HZPDHXFCSA-N	1	0	356.825	1.386	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1	ZINC000645072993	1014058999	/nfs/dbraw/zinc/05/89/99/1014058999.db2.gz	XOCXZLOILBSDQB-OTWHNJEPSA-N	1	0	371.481	1.427	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H](CO)C[C@H](O)c1ccccc1	ZINC000863563215	973018823	/nfs/dbraw/zinc/01/88/23/973018823.db2.gz	OTOXFCGAPLIOIQ-QRVBRYPASA-N	1	0	356.422	1.372	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)cc1	ZINC000863585249	973034226	/nfs/dbraw/zinc/03/42/26/973034226.db2.gz	SSPYISBNNRBAOB-VQTJNVASSA-N	1	0	352.438	1.477	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COc2ccc(C)cc2OC)C1	ZINC001198451971	973115768	/nfs/dbraw/zinc/11/57/68/973115768.db2.gz	WVDIYTYGTHXEAH-GVDBMIGSSA-N	1	0	362.470	1.898	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2-n2cnnn2)C1	ZINC001198520946	973204378	/nfs/dbraw/zinc/20/43/78/973204378.db2.gz	SJAADBXYPKXECS-SJLPKXTDSA-N	1	0	370.457	1.184	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)C(C)C)C1	ZINC001198786086	973473432	/nfs/dbraw/zinc/47/34/32/973473432.db2.gz	WCMGYMZWVANWQM-FGTMMUONSA-N	1	0	365.518	1.541	20	30		FDEDRO
C[C@@]1(O)CCC[N@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000794672751	973524268	/nfs/dbraw/zinc/52/42/68/973524268.db2.gz	OWTWIGCIZHFNRA-LJQANCHMSA-N	1	0	356.426	1.517	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)c2ccc(OC)cc2)C1	ZINC001198911206	973671022	/nfs/dbraw/zinc/67/10/22/973671022.db2.gz	MUIJUALPIFTCSB-ATZDWAIDSA-N	1	0	362.470	1.553	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCN(C(=O)CCC)CC2)C1	ZINC001198983405	973781336	/nfs/dbraw/zinc/78/13/36/973781336.db2.gz	VFXPJWZHKAIAOB-KBAYOESNSA-N	1	0	365.518	1.541	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc(Cl)cn2)C1	ZINC001198997421	973820893	/nfs/dbraw/zinc/82/08/93/973820893.db2.gz	GYMKTLHADSORJM-HZPDHXFCSA-N	1	0	354.882	1.834	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(OCC3CC3)nc2)C1	ZINC001199052022	973860438	/nfs/dbraw/zinc/86/04/38/973860438.db2.gz	YVFJGCIZBGWOJZ-ZTFGCOKTSA-N	1	0	359.470	2.000	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(C)nn(C)c3n2)C1	ZINC001199097067	973912732	/nfs/dbraw/zinc/91/27/32/973912732.db2.gz	VHAKIYYASIUSAR-QZTJIDSGSA-N	1	0	371.485	1.798	20	30		FDEDRO
C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCC#N)Cc1ccco1	ZINC000865069578	974057296	/nfs/dbraw/zinc/05/72/96/974057296.db2.gz	INGHWQPFCPVASH-HNNXBMFYSA-N	1	0	364.446	1.977	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(F)c(NC(C)=O)c2)C1	ZINC001199270515	974105839	/nfs/dbraw/zinc/10/58/39/974105839.db2.gz	KMFNTIHJRSIBKH-JBBXEZCESA-N	1	0	363.433	1.914	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCCOCc2ccccc2)C[C@H]1O	ZINC001199318382	974185811	/nfs/dbraw/zinc/18/58/11/974185811.db2.gz	SFKGUUJBDHCCLO-BHIYHBOVSA-N	1	0	362.470	1.346	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3ccccc3)[nH]2)C1	ZINC001199406339	974262441	/nfs/dbraw/zinc/26/24/41/974262441.db2.gz	TTYVESUINRDBIB-RTBURBONSA-N	1	0	355.438	1.659	20	30		FDEDRO
C#CC[C@@H](CC(=O)N[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1O)c1ccccc1	ZINC001199466882	974278476	/nfs/dbraw/zinc/27/84/76/974278476.db2.gz	MOGNYKGEDFWXDB-XUVXKRRUSA-N	1	0	358.482	1.770	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)C(CC)CC)C1	ZINC001199611645	974402553	/nfs/dbraw/zinc/40/25/53/974402553.db2.gz	SEJSQJXYSDFONP-IAGOWNOFSA-N	1	0	353.507	1.447	20	30		FDEDRO
CN1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc4c(C#N)c[nH]c4c3)C2)CC1	ZINC000865750544	974460182	/nfs/dbraw/zinc/46/01/82/974460182.db2.gz	QNHQBTKNPCXJGI-INIZCTEOSA-N	1	0	351.454	1.938	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COc1ccccc1F	ZINC001110543385	974550580	/nfs/dbraw/zinc/55/05/80/974550580.db2.gz	PLPXVTJZRYPHTP-JFRXWTBNSA-N	1	0	372.440	1.700	20	30		FDEDRO
Cc1cccc(OC[C@H](O)C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC2CC2)C3)c1	ZINC001110543618	974553904	/nfs/dbraw/zinc/55/39/04/974553904.db2.gz	ZUEPGGHFGHAEIC-UKAVVXHISA-N	1	0	368.477	1.870	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccc(OC)cc1	ZINC001110544729	974587507	/nfs/dbraw/zinc/58/75/07/974587507.db2.gz	BUEIBOIYKQIAHG-RLLQIKCJSA-N	1	0	356.466	1.999	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc2c(c1)OCCO2	ZINC001110550465	974721944	/nfs/dbraw/zinc/72/19/44/974721944.db2.gz	RDHJFWMKNLUQHR-KURKYZTESA-N	1	0	370.449	1.719	20	30		FDEDRO
C=CCNC(=S)N[C@H]1CCc2c(ccc(=O)n2CC[NH+]2CCCC2)C1	ZINC001200296503	974744795	/nfs/dbraw/zinc/74/47/95/974744795.db2.gz	CUWUVLMZODPZBY-INIZCTEOSA-N	1	0	360.527	1.452	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccc(OC)cc1	ZINC001110552232	974755688	/nfs/dbraw/zinc/75/56/88/974755688.db2.gz	RNIGMNNRTSYNJO-ZSXHRAQDSA-N	1	0	356.466	1.998	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc2nonc2c1	ZINC001110552414	974757505	/nfs/dbraw/zinc/75/75/05/974757505.db2.gz	YFVASZWKXIXVPW-GGBBIFEXSA-N	1	0	354.410	1.483	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H](c3ccccc3)O2)CC1	ZINC001200599369	974822752	/nfs/dbraw/zinc/82/27/52/974822752.db2.gz	RVZXMAWNSNZBKS-MOPGFXCFSA-N	1	0	369.465	1.237	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC2)CCCO1	ZINC001201023623	974946858	/nfs/dbraw/zinc/94/68/58/974946858.db2.gz	PUSIILBAJYKGOB-KURKYZTESA-N	1	0	352.475	1.211	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@]2(C)c2ccccc2)CCCO1	ZINC001201024163	974946868	/nfs/dbraw/zinc/94/68/68/974946868.db2.gz	VCQMEYJFDQDILW-RZUBCFFCSA-N	1	0	370.493	1.821	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CO[C@@H]2CCOC2)C3)cc1	ZINC001110559961	974951567	/nfs/dbraw/zinc/95/15/67/974951567.db2.gz	SGUHUTMILFOHHW-MKXGPGLRSA-N	1	0	355.438	1.585	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccnc2)CCCO1	ZINC001201454195	975068189	/nfs/dbraw/zinc/06/81/89/975068189.db2.gz	KQPVMMDBTNLKFK-CEXWTWQISA-N	1	0	357.454	1.042	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCOC2CCC2)C1	ZINC001201621409	975100909	/nfs/dbraw/zinc/10/09/09/975100909.db2.gz	KTQOQEZGHNCRFF-FHWLQOOXSA-N	1	0	366.502	1.744	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)ncc1C#N	ZINC000847506827	975747720	/nfs/dbraw/zinc/74/77/20/975747720.db2.gz	GZDPZQFDSRLGLP-UHFFFAOYSA-N	1	0	365.437	1.920	20	30		FDEDRO
C[NH+](C)C[C@@](C)(O)CNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000847608136	975904297	/nfs/dbraw/zinc/90/42/97/975904297.db2.gz	QXTMZNUBBAYZRY-IBGZPJMESA-N	1	0	367.490	1.066	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1	ZINC000866774664	976028272	/nfs/dbraw/zinc/02/82/72/976028272.db2.gz	PCXONLOQDOOAJL-LXZKKBNFSA-N	1	0	367.446	1.604	20	30		FDEDRO
CN(C[C@@H](O)c1cccc(C#N)c1)S(=O)(=O)CCC[NH+]1CCCC1	ZINC000867456957	976175018	/nfs/dbraw/zinc/17/50/18/976175018.db2.gz	JPZPETMBJXFHMI-QGZVFWFLSA-N	1	0	351.472	1.339	20	30		FDEDRO
O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N[C@H]1CCCN(O)C1=O	ZINC000848137406	976369446	/nfs/dbraw/zinc/36/94/46/976369446.db2.gz	ALRXLWONPUGARG-KRWDZBQOSA-N	1	0	360.458	1.085	20	30		FDEDRO
C#CCCN(CCOC)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1	ZINC000867640891	976558030	/nfs/dbraw/zinc/55/80/30/976558030.db2.gz	PPLNLURTPMTSCE-GOSISDBHSA-N	1	0	363.502	1.398	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2cnnn2C)C1	ZINC001017130296	1014339568	/nfs/dbraw/zinc/33/95/68/1014339568.db2.gz	NTKFICKFPNNEOA-JQHSSLGASA-N	1	0	361.490	1.467	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)Nn1cnc2sc3c(c2c1=O)CCCC3	ZINC000848397101	976718240	/nfs/dbraw/zinc/71/82/40/976718240.db2.gz	TVXGNEXNAUZOGY-GFCCVEGCSA-N	1	0	359.455	1.818	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCc1cnn(CC(F)(F)F)c1	ZINC000867957031	977140287	/nfs/dbraw/zinc/14/02/87/977140287.db2.gz	ZIPMYWQWEKOVFI-HNNXBMFYSA-N	1	0	363.343	1.820	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCN(Cc2ccccn2)CC1	ZINC000867961328	977144591	/nfs/dbraw/zinc/14/45/91/977144591.db2.gz	VTFVHJZGOPDQDJ-FQEVSTJZSA-N	1	0	361.449	1.484	20	30		FDEDRO
CC[C@H](C)N[C@H](CNC(NCCN1CCOCC1)=[NH+]C)c1ccco1	ZINC000849051709	977293669	/nfs/dbraw/zinc/29/36/69/977293669.db2.gz	UVAVSLGAHJSDJG-JKSUJKDBSA-N	1	0	351.495	1.206	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@H](O)c1ccccc1C(F)(F)F	ZINC000849067539	977300883	/nfs/dbraw/zinc/30/08/83/977300883.db2.gz	LFLHUEFYNXWWCS-HNNXBMFYSA-N	1	0	374.407	1.236	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@H](O)c1ccc(C(F)(F)F)cc1	ZINC000849077619	977305327	/nfs/dbraw/zinc/30/53/27/977305327.db2.gz	MBYGFYALSUTBHO-HNNXBMFYSA-N	1	0	374.407	1.236	20	30		FDEDRO
CCNC(NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)=[NH+]CC	ZINC000849104558	977317432	/nfs/dbraw/zinc/31/74/32/977317432.db2.gz	QVPORXDLCKQTRK-INIZCTEOSA-N	1	0	364.465	1.418	20	30		FDEDRO
CN(C)C(=[NH+]C[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)N(C)C	ZINC000849104935	977318000	/nfs/dbraw/zinc/31/80/00/977318000.db2.gz	FLTOIWHFGBKQCB-INIZCTEOSA-N	1	0	364.465	1.322	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)CCO1	ZINC000868209579	977347182	/nfs/dbraw/zinc/34/71/82/977347182.db2.gz	KBPRYBVUBQKMBL-ZLKJLUDKSA-N	1	0	356.348	1.919	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1C#N	ZINC000868250625	977393326	/nfs/dbraw/zinc/39/33/26/977393326.db2.gz	GQPHKVDDGUZLPE-AWEZNQCLSA-N	1	0	356.426	1.353	20	30		FDEDRO
C[C@H](CNC(=O)N(C)CCc1cccc(C#N)c1)C[NH+]1CCN(C)CC1	ZINC000868359842	977533106	/nfs/dbraw/zinc/53/31/06/977533106.db2.gz	ZJPMJKCVHZKPSD-QGZVFWFLSA-N	1	0	357.502	1.626	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1	ZINC000849495716	977689255	/nfs/dbraw/zinc/68/92/55/977689255.db2.gz	FATRQMPLABTPQW-RBUKOAKNSA-N	1	0	351.454	1.986	20	30		FDEDRO
COc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)cc1C#N	ZINC000849563692	977757729	/nfs/dbraw/zinc/75/77/29/977757729.db2.gz	MAJZOIOKLMVQFA-ZWKOTPCHSA-N	1	0	367.453	1.652	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccc(C#N)cn2)[C@H](c2cnn(C)c2)C1	ZINC000849592354	977799574	/nfs/dbraw/zinc/79/95/74/977799574.db2.gz	KYNJLNJSDGENAG-OALUTQOASA-N	1	0	366.469	1.817	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1	ZINC000849603455	977829182	/nfs/dbraw/zinc/82/91/82/977829182.db2.gz	FJBZGEUVLFAPLN-WNHJNPCNSA-N	1	0	360.502	1.941	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC(=O)N(CC(C)C)C1)C2	ZINC001110618662	978095552	/nfs/dbraw/zinc/09/55/52/978095552.db2.gz	XIZPPFZNKDJCNI-TVFCKZIOSA-N	1	0	363.502	1.415	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000967902906	1014462261	/nfs/dbraw/zinc/46/22/61/1014462261.db2.gz	RJMIBNBALIWTGV-DLBZAZTESA-N	1	0	357.458	1.290	20	30		FDEDRO
C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CCC[C@@H](CC#N)C2)CC1	ZINC000850541582	978424379	/nfs/dbraw/zinc/42/43/79/978424379.db2.gz	YEAWABRAGCVTIM-INIZCTEOSA-N	1	0	369.469	1.529	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)c1	ZINC000850667664	978586324	/nfs/dbraw/zinc/58/63/24/978586324.db2.gz	WNGNTHURIPROSI-INIZCTEOSA-N	1	0	357.454	1.874	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CCO1	ZINC000850730349	978653109	/nfs/dbraw/zinc/65/31/09/978653109.db2.gz	YSFYNOJLLQCNOS-KRWDZBQOSA-N	1	0	374.441	1.097	20	30		FDEDRO
CC(C)(NC(=O)C(=O)Nc1cccc(OCC[NH3+])c1)c1cccc(C#N)c1	ZINC000850834718	978690018	/nfs/dbraw/zinc/69/00/18/978690018.db2.gz	HDSAUXACPGZFOH-UHFFFAOYSA-N	1	0	366.421	1.886	20	30		FDEDRO
CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(CCC#N)c3cccc(C)c3C)C[C@@H]2C1	ZINC000880308015	979083281	/nfs/dbraw/zinc/08/32/81/979083281.db2.gz	DCISXBKEGQGHEI-KDURUIRLSA-N	1	0	368.481	1.960	20	30		FDEDRO
CC(=O)N1C[C@@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@@H]2C1	ZINC000880310913	979088692	/nfs/dbraw/zinc/08/86/92/979088692.db2.gz	OHXTZGONSUOFTO-OKILXGFUSA-N	1	0	372.494	1.847	20	30		FDEDRO
COc1cccc2c1CC[C@@]2(CO)[NH2+]CC(=O)NCc1ccc(C#N)cc1	ZINC000880379949	979143838	/nfs/dbraw/zinc/14/38/38/979143838.db2.gz	FMZVKSCDLXCTNB-NRFANRHFSA-N	1	0	365.433	1.607	20	30		FDEDRO
CO[C@@H]1COCC[C@@H]1[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N	ZINC000880431171	979190460	/nfs/dbraw/zinc/19/04/60/979190460.db2.gz	SSTCUGNHWFFYPR-JCGIZDLHSA-N	1	0	366.421	1.959	20	30		FDEDRO
C#CCC1(O)CC[NH+]([C@H](C)C(=O)N2CCC(C(=O)OCC)CC2)CC1	ZINC000880477526	979218346	/nfs/dbraw/zinc/21/83/46/979218346.db2.gz	JJCSQPYKMSAMMP-OAHLLOKOSA-N	1	0	350.459	1.027	20	30		FDEDRO
CC1([NH+]2CCC2)CCN(Cc2nc3ccccc3c(=O)n2CC#N)CC1	ZINC000880475620	979218413	/nfs/dbraw/zinc/21/84/13/979218413.db2.gz	ZRRQNSXEBJTAAS-UHFFFAOYSA-N	1	0	351.454	1.980	20	30		FDEDRO
C#CCC1(O)CCN([C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000880481734	979221565	/nfs/dbraw/zinc/22/15/65/979221565.db2.gz	ZWXAGXIMDLWRRG-UYAOXDASSA-N	1	0	369.509	1.616	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]3CCNC(=O)[C@@H]32)c(OC)c1	ZINC000880530618	979278127	/nfs/dbraw/zinc/27/81/27/979278127.db2.gz	HMUYNARWPNFPGJ-MBOZVWFJSA-N	1	0	374.481	1.764	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC(N(CC)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000968013357	1014571218	/nfs/dbraw/zinc/57/12/18/1014571218.db2.gz	XDUZLGAEWPGXNS-DNVCBOLYSA-N	1	0	353.466	1.681	20	30		FDEDRO
COc1ccc(NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cc1C#N	ZINC000880872701	979503975	/nfs/dbraw/zinc/50/39/75/979503975.db2.gz	AJWPFSKOPRVNAR-QGZVFWFLSA-N	1	0	359.474	1.960	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1	ZINC000968081178	1014626359	/nfs/dbraw/zinc/62/63/59/1014626359.db2.gz	RUJRLSFLBAWNNX-FFGOWVMKSA-N	1	0	371.525	1.970	20	30		FDEDRO
C[NH+]=C(NCc1ccc(C(N)=O)o1)NC1CCN(c2ccccn2)CC1	ZINC000129401115	980396185	/nfs/dbraw/zinc/39/61/85/980396185.db2.gz	IFGRUQXKENZVDA-UHFFFAOYSA-N	1	0	356.430	1.108	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC1	ZINC000882524456	980700292	/nfs/dbraw/zinc/70/02/92/980700292.db2.gz	PYJOMFNLEQPWRH-UHFFFAOYSA-N	1	0	369.509	1.966	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)Cc2cccc(C#N)c2)CCN1c1cc[nH+]cc1	ZINC000882620985	980761067	/nfs/dbraw/zinc/76/10/67/980761067.db2.gz	GCXOJDNPPYHKNB-OAHLLOKOSA-N	1	0	356.451	1.994	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1	ZINC000858142634	981858744	/nfs/dbraw/zinc/85/87/44/981858744.db2.gz	IHBUVEWPEVUZFX-QGZVFWFLSA-N	1	0	359.474	1.061	20	30		FDEDRO
N#Cc1nc(NC(=O)NCCN2CCSCC2)ccc1Br	ZINC000883088753	981933622	/nfs/dbraw/zinc/93/36/22/981933622.db2.gz	PGLFPVKLTDHRLX-UHFFFAOYSA-N	1	0	370.276	1.886	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCCNc2ncccc2C#N)CCN1c1cc[nH+]cc1	ZINC000883199415	982009186	/nfs/dbraw/zinc/00/91/86/982009186.db2.gz	DCHNHQFDRSXARB-OAHLLOKOSA-N	1	0	365.441	1.680	20	30		FDEDRO
C=CCC[C@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1)[C@@H]1CCCO1	ZINC000883371345	982099907	/nfs/dbraw/zinc/09/99/07/982099907.db2.gz	HDWRWSALVASVRT-UFYCRDLUSA-N	1	0	351.535	1.886	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1	ZINC000883585149	982284556	/nfs/dbraw/zinc/28/45/56/982284556.db2.gz	HNKOWHLGWSVOSD-UHFFFAOYSA-N	1	0	356.470	1.858	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)n1	ZINC000858872130	982344579	/nfs/dbraw/zinc/34/45/79/982344579.db2.gz	QDNKQWFMNSFONX-LJQANCHMSA-N	1	0	373.501	1.691	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCOC[C@@H]1CCCO1)C2	ZINC001110759784	982355767	/nfs/dbraw/zinc/35/57/67/982355767.db2.gz	NULQVXSWTKTTJB-XDNAFOTISA-N	1	0	352.475	1.496	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1	ZINC000858923695	982373998	/nfs/dbraw/zinc/37/39/98/982373998.db2.gz	JTKLEUOYVWCYIN-MOPGFXCFSA-N	1	0	353.466	1.320	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(C)c1C(F)(F)F)C2	ZINC001110762960	982447735	/nfs/dbraw/zinc/44/77/35/982447735.db2.gz	XYQKCNAZFKDQNN-BNOWGMLFSA-N	1	0	372.391	1.977	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCC[C@H]([NH2+]C3CCOCC3)C1)C2	ZINC000883805596	982484725	/nfs/dbraw/zinc/48/47/25/982484725.db2.gz	LSMBQBZDRNQWKY-VQTJNVASSA-N	1	0	368.481	1.968	20	30		FDEDRO
N#CC1(C[C@@H](O)CN2CCC[N@H+](C[C@H]3CCCO3)CC2)CCOCC1	ZINC000859073201	982504579	/nfs/dbraw/zinc/50/45/79/982504579.db2.gz	GCDTZICVSUJFLW-QZTJIDSGSA-N	1	0	351.491	1.244	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)N(C(C)C)C(C)C)CC1	ZINC001202559783	982557352	/nfs/dbraw/zinc/55/73/52/982557352.db2.gz	OACHXQHNQXSNCQ-MSOLQXFVSA-N	1	0	365.518	1.804	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)CCOCC1	ZINC000859158270	982584413	/nfs/dbraw/zinc/58/44/13/982584413.db2.gz	CEWYIIFZILIPNR-WMZOPIPTSA-N	1	0	352.475	1.718	20	30		FDEDRO
CC(C)(C)N(CCS(C)(=O)=O)C[C@H](O)COc1ccccc1C#N	ZINC000859167111	982592152	/nfs/dbraw/zinc/59/21/52/982592152.db2.gz	ALVRXZWAQXEPCI-HNNXBMFYSA-N	1	0	354.472	1.443	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)CCOCC1	ZINC000859170801	982595435	/nfs/dbraw/zinc/59/54/35/982595435.db2.gz	APHMWUVZRHGMGB-IAGOWNOFSA-N	1	0	372.469	1.803	20	30		FDEDRO
COC(=O)N1CCC[C@H]([C@H](C)[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000859257829	982652181	/nfs/dbraw/zinc/65/21/81/982652181.db2.gz	FXEUQFUEQDPVKY-JYJNAYRXSA-N	1	0	353.463	1.514	20	30		FDEDRO
N#C[C@@H]1CN(S(=O)(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CCO1	ZINC000800007644	982706074	/nfs/dbraw/zinc/70/60/74/982706074.db2.gz	MLLKCTLDQFYNRC-QGZVFWFLSA-N	1	0	370.519	1.044	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)C(C)C	ZINC000859357680	982743242	/nfs/dbraw/zinc/74/32/42/982743242.db2.gz	VZLPOYOWOOQDPB-XFEYQPKCSA-N	1	0	362.470	1.522	20	30		FDEDRO
CCCCCCCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000859360670	982746175	/nfs/dbraw/zinc/74/61/75/982746175.db2.gz	LTFCXSPGKQECCK-QZTJIDSGSA-N	1	0	366.550	1.557	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(CN3CCCC3=O)cc1)C2	ZINC000884076129	982826836	/nfs/dbraw/zinc/82/68/36/982826836.db2.gz	SFKCCMPTYKWSHQ-WBTXTPOCSA-N	1	0	366.465	1.565	20	30		FDEDRO
CC[C@@H](C)NC(=O)c1cccc(CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c1	ZINC000884078514	982833032	/nfs/dbraw/zinc/83/30/32/982833032.db2.gz	OOCZXNCGLLEJHP-QHPYWPBHSA-N	1	0	368.481	1.970	20	30		FDEDRO
N#CCN1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1	ZINC000859487146	982858715	/nfs/dbraw/zinc/85/87/15/982858715.db2.gz	ADEFTLZAOFTKGR-LJQANCHMSA-N	1	0	352.482	1.956	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1)C2	ZINC000884094912	982859139	/nfs/dbraw/zinc/85/91/39/982859139.db2.gz	XXXMBVWLVFBBKR-ZEVUXNIQSA-N	1	0	352.438	1.216	20	30		FDEDRO
CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1	ZINC000884099610	982864875	/nfs/dbraw/zinc/86/48/75/982864875.db2.gz	UFUJZWPLBZMPAC-AQQQVQBPSA-N	1	0	360.502	1.669	20	30		FDEDRO
COc1ccc(C[C@H](C)NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1OC	ZINC000884128031	982909246	/nfs/dbraw/zinc/90/92/46/982909246.db2.gz	SAZWOWIDOIGSTH-IRDXTQHGSA-N	1	0	357.454	1.890	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)N[C@@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)C1	ZINC000884152660	982931228	/nfs/dbraw/zinc/93/12/28/982931228.db2.gz	QTMCOGZCAWKWOI-GBESFXJTSA-N	1	0	364.534	1.520	20	30		FDEDRO
N#Cc1ccc(OCCC[NH+]2CCC(n3cc(C(N)=O)nn3)CC2)cc1	ZINC000859592895	982934219	/nfs/dbraw/zinc/93/42/19/982934219.db2.gz	UOVZNOVADSEFNH-UHFFFAOYSA-N	1	0	354.414	1.355	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C(=O)N1c1ccccc1	ZINC000884157087	982934752	/nfs/dbraw/zinc/93/47/52/982934752.db2.gz	SDGXCHAUJGQQPA-YIRLQBJDSA-N	1	0	352.438	1.436	20	30		FDEDRO
Cc1ccc(CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c(O[C@H]2CCOC2)c1	ZINC000884164074	982940639	/nfs/dbraw/zinc/94/06/39/982940639.db2.gz	XMXGUGIABTTXIB-IOBOIYPZSA-N	1	0	369.465	1.918	20	30		FDEDRO
Cc1cccc(CN2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CC2)c1	ZINC000884179410	982952540	/nfs/dbraw/zinc/95/25/40/982952540.db2.gz	NMIPQQXIUFGEGP-OBXNSHGQSA-N	1	0	352.482	1.779	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccccc1CN1CCOCC1)C2	ZINC000884180238	982953191	/nfs/dbraw/zinc/95/31/91/982953191.db2.gz	QTZVXGAMQMUPSA-OBXNSHGQSA-N	1	0	368.481	1.274	20	30		FDEDRO
Cc1ccc([C@@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)N2CCOCC2)o1	ZINC000884182055	982957308	/nfs/dbraw/zinc/95/73/08/982957308.db2.gz	XMXHHGHDRBMMGB-ZEVUXNIQSA-N	1	0	372.469	1.217	20	30		FDEDRO
C[C@@H]1CN(c2ccc(CNC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)cn2)CCO1	ZINC000884186640	982962819	/nfs/dbraw/zinc/96/28/19/982962819.db2.gz	FXLVJUCRDNMQLQ-DSRNLFJRSA-N	1	0	369.469	1.062	20	30		FDEDRO
Cc1nccn1-c1ccc(CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cn1	ZINC000884187783	982964148	/nfs/dbraw/zinc/96/41/48/982964148.db2.gz	PDUUEZULIBCFQV-KOHRHEQBSA-N	1	0	350.426	1.331	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1	ZINC000884211785	982988677	/nfs/dbraw/zinc/98/86/77/982988677.db2.gz	NSJNHINIGWBULI-SZMVWBNQSA-N	1	0	359.470	1.602	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cc(C)ccc1OC)C2	ZINC001110777770	982989264	/nfs/dbraw/zinc/98/92/64/982989264.db2.gz	GMKKXLZNCZPGFY-QRVBRYPASA-N	1	0	356.466	1.917	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1C[C@H](C(N)=O)[C@@H](c2cnn(C)c2)C1	ZINC000332403931	983047559	/nfs/dbraw/zinc/04/75/59/983047559.db2.gz	LDFGIMKYGNLGOF-WLLUSJSYSA-N	1	0	360.462	1.414	20	30		FDEDRO
CC[C@H]1C[C@@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CC(=O)N1	ZINC000332537203	983072095	/nfs/dbraw/zinc/07/20/95/983072095.db2.gz	VBQBAHHFRUMMGH-MSOLQXFVSA-N	1	0	368.481	1.966	20	30		FDEDRO
CCOC(=O)N1CCC([C@H](C)NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1	ZINC000884319562	983079962	/nfs/dbraw/zinc/07/99/62/983079962.db2.gz	XVBWVVJAGRBXEC-NOFHKNGASA-N	1	0	362.474	1.499	20	30		FDEDRO
COC(=O)[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccc(F)cc1	ZINC000884334992	983094172	/nfs/dbraw/zinc/09/41/72/983094172.db2.gz	HUPUXSRSVCPRSO-IJSAUFJJSA-N	1	0	359.401	1.338	20	30		FDEDRO
COc1ccc(C2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CC2)nc1	ZINC000884381524	983129002	/nfs/dbraw/zinc/12/90/02/983129002.db2.gz	IKGBLKJWBDSEMQ-NGEICVOHSA-N	1	0	354.454	1.936	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCN(c3cccc4[nH]ccc43)CC1)C2	ZINC000884436809	983154799	/nfs/dbraw/zinc/15/47/99/983154799.db2.gz	OTYTWJAGSHTMLH-TZQQIIETSA-N	1	0	363.465	1.956	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)c(F)c1	ZINC000884585199	983261206	/nfs/dbraw/zinc/26/12/06/983261206.db2.gz	DHRXZUQETJWUGH-IBGZPJMESA-N	1	0	358.417	1.306	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)c1cccc(C#N)c1	ZINC000884617509	983279718	/nfs/dbraw/zinc/27/97/18/983279718.db2.gz	NICWRBOXNDGQLV-MGPUTAFESA-N	1	0	354.454	1.728	20	30		FDEDRO
CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2CC)cc1C#N	ZINC000861515899	983758293	/nfs/dbraw/zinc/75/82/93/983758293.db2.gz	RCTLWOTUKBQUSY-DZGCQCFKSA-N	1	0	373.413	1.322	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)[C@H](C)CC(=O)N2C	ZINC000861872295	983967128	/nfs/dbraw/zinc/96/71/28/983967128.db2.gz	NBZPIRDTRRKQNC-CQSZACIVSA-N	1	0	370.453	1.166	20	30		FDEDRO
C#CC[C@@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C(=O)OC	ZINC000861950378	984009150	/nfs/dbraw/zinc/00/91/50/984009150.db2.gz	DNFYJIIAYHBKFY-QZTJIDSGSA-N	1	0	354.450	1.970	20	30		FDEDRO
N#CCOc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1	ZINC000862091699	984104832	/nfs/dbraw/zinc/10/48/32/984104832.db2.gz	MKVIVUQODNLPDA-INIZCTEOSA-N	1	0	356.426	1.661	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@H+](C)C[C@@H](C(=O)[O-])C1)C(C)C	ZINC001588826618	984305074	/nfs/dbraw/zinc/30/50/74/984305074.db2.gz	NANLKTIXYAFZSZ-IAGOWNOFSA-N	1	0	366.506	1.343	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@@H](C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000862311598	984322778	/nfs/dbraw/zinc/32/27/78/984322778.db2.gz	PCWSILOFWMHDOI-UONOGXRCSA-N	1	0	362.492	1.201	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1	ZINC000884855763	984894184	/nfs/dbraw/zinc/89/41/84/984894184.db2.gz	PVDJFRQZGLJSTF-SJORKVTESA-N	1	0	365.518	1.840	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1	ZINC000884960586	985007065	/nfs/dbraw/zinc/00/70/65/985007065.db2.gz	XVIRMMWEUZSPLC-KGLIPLIRSA-N	1	0	363.439	1.250	20	30		FDEDRO
CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)[C@]3(C#N)CCCOC3)C2)ccn1	ZINC000869350291	985043513	/nfs/dbraw/zinc/04/35/13/985043513.db2.gz	YMKBNRMOSBDFOO-QUCCMNQESA-N	1	0	372.469	1.833	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(CCC#N)cc1	ZINC000884998380	985055078	/nfs/dbraw/zinc/05/50/78/985055078.db2.gz	ONKIZLCRPUYXPR-INIZCTEOSA-N	1	0	351.472	1.532	20	30		FDEDRO
C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F	ZINC000885285381	985289369	/nfs/dbraw/zinc/28/93/69/985289369.db2.gz	KOUXBZFAORILLU-INIZCTEOSA-N	1	0	365.424	1.952	20	30		FDEDRO
N#C[C@@]12CN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C[C@@H]1CS(=O)(=O)C2	ZINC000885317461	985332456	/nfs/dbraw/zinc/33/24/56/985332456.db2.gz	WSBKYRPBPDROGU-DAYGRLMNSA-N	1	0	365.499	1.038	20	30		FDEDRO
CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C1	ZINC000869781984	985339212	/nfs/dbraw/zinc/33/92/12/985339212.db2.gz	FWQMTRRKVKBEAS-WMZOPIPTSA-N	1	0	356.470	1.488	20	30		FDEDRO
CCN(CC)C(=O)CN1CCC[N@H+](C[C@@H](O)CC2(C#N)CCC2)CC1	ZINC000885951655	985797278	/nfs/dbraw/zinc/79/72/78/985797278.db2.gz	NCHXJXQHLABTJP-KRWDZBQOSA-N	1	0	350.507	1.307	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O	ZINC000870244549	985835277	/nfs/dbraw/zinc/83/52/77/985835277.db2.gz	LLEWUARVNKWSBA-YOEHRIQHSA-N	1	0	371.437	1.404	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCC2)CCN1C[C@H](O)CC1(C#N)CCC1	ZINC000886048990	985849918	/nfs/dbraw/zinc/84/99/18/985849918.db2.gz	CPQXUXOOKKFUMI-CEXWTWQISA-N	1	0	374.529	1.882	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH2+]CCc2nnc3c(=O)n(C)ccn23)cc1	ZINC000886285662	986025006	/nfs/dbraw/zinc/02/50/06/986025006.db2.gz	PBIZTINBBWBLIR-UHFFFAOYSA-N	1	0	365.441	1.110	20	30		FDEDRO
CN(C[C@H](O)C[N@H+](C)C[C@H](O)CC1(C#N)CCC1)C(=O)OC(C)(C)C	ZINC000886304198	986051189	/nfs/dbraw/zinc/05/11/89/986051189.db2.gz	QFCUCBMUJOSNIR-HUUCEWRRSA-N	1	0	355.479	1.591	20	30		FDEDRO
C#CC[C@H]1CC[N@@H+]([C@@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)C1	ZINC000886361721	986100312	/nfs/dbraw/zinc/10/03/12/986100312.db2.gz	SQFFDIKISSUOPX-ICSRJNTNSA-N	1	0	369.509	1.869	20	30		FDEDRO
C#CC[N@@H+](C[C@](C)(O)C(=O)OC)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886426293	986201690	/nfs/dbraw/zinc/20/16/90/986201690.db2.gz	QOGDVFOSSKBMJX-SFHVURJKSA-N	1	0	354.447	1.245	20	30		FDEDRO
C#CCN(C(=O)[C@H]1CCN(C(=O)c2ccccc2)C1)C1CC[NH+](C)CC1	ZINC000886573332	986372859	/nfs/dbraw/zinc/37/28/59/986372859.db2.gz	FNHAZQYYSNRLJP-SFHVURJKSA-N	1	0	353.466	1.705	20	30		FDEDRO
C#CCN(C(=O)CCN(Cc1ccccc1)C(C)=O)C1CC[NH+](C)CC1	ZINC000886582126	986385383	/nfs/dbraw/zinc/38/53/83/986385383.db2.gz	HCSDJXXYXJDFMA-UHFFFAOYSA-N	1	0	355.482	1.981	20	30		FDEDRO
C#CCN(C(=O)Cc1cccc(NS(C)(=O)=O)c1)C1CC[NH+](C)CC1	ZINC000886582421	986386345	/nfs/dbraw/zinc/38/63/45/986386345.db2.gz	UCRLUFSANZHROC-UHFFFAOYSA-N	1	0	363.483	1.157	20	30		FDEDRO
C#CCN(C(=O)CCc1c(C)nc2ccnn2c1C)C1CC[NH+](C)CC1	ZINC000886583567	986387231	/nfs/dbraw/zinc/38/72/31/986387231.db2.gz	VTHYBFSSCQVFIJ-UHFFFAOYSA-N	1	0	353.470	1.835	20	30		FDEDRO
C#CCN(C(=O)COc1ccc2ccc(=O)oc2c1)C1CC[NH+](C)CC1	ZINC000886587082	986391487	/nfs/dbraw/zinc/39/14/87/986391487.db2.gz	GAQSEAYDUCFGDI-UHFFFAOYSA-N	1	0	354.406	1.728	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@H]([C@H]4CCCO4)C3)CC2)o1	ZINC000886824975	986616002	/nfs/dbraw/zinc/61/60/02/986616002.db2.gz	KFIVZMZXBPUIQI-DOTOQJQBSA-N	1	0	373.457	1.004	20	30		FDEDRO
COC[C@H]([NH2+]CC#CCN1C(=O)c2ccccc2C1=O)[C@@H]1CCCOC1	ZINC000886917696	986738420	/nfs/dbraw/zinc/73/84/20/986738420.db2.gz	IIFNPXOZIIQBGV-QAPCUYQASA-N	1	0	356.422	1.317	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSCc2ccc(C#N)o2)C1	ZINC000871707948	987203338	/nfs/dbraw/zinc/20/33/38/987203338.db2.gz	BQCBBXVDGOMWNZ-INIZCTEOSA-N	1	0	351.472	1.857	20	30		FDEDRO
C(=[NH+]OCc1cn(C[C@H]2CCOC2)nn1)c1ccc(N2CCOCC2)cc1	ZINC000871724613	987208959	/nfs/dbraw/zinc/20/89/59/987208959.db2.gz	YXJBENVQSZFLLF-QGZVFWFLSA-N	1	0	371.441	1.702	20	30		FDEDRO
NC(=NO[C@@H]1CCN(C2CCC2)C1=O)c1ccc(CN2CCOCC2)cc1	ZINC000871729119	987209838	/nfs/dbraw/zinc/20/98/38/987209838.db2.gz	BWNDYOUSNSLEQN-GOSISDBHSA-N	1	0	372.469	1.309	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000871804497	987249425	/nfs/dbraw/zinc/24/94/25/987249425.db2.gz	CIYSZEVIQZDZRS-ULQDDVLXSA-N	1	0	363.483	1.774	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c(C#N)c1	ZINC000871804690	987249551	/nfs/dbraw/zinc/24/95/51/987249551.db2.gz	FVCITWOXSZHAFP-XIRDDKMYSA-N	1	0	363.483	1.774	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1	ZINC000871805642	987250019	/nfs/dbraw/zinc/25/00/19/987250019.db2.gz	NARVPNZLRWZQAD-IRXDYDNUSA-N	1	0	363.483	1.774	20	30		FDEDRO
N#CCc1ccc(CS(=O)(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1	ZINC000871813037	987264546	/nfs/dbraw/zinc/26/45/46/987264546.db2.gz	NQFHVNMKELZXLO-UONOGXRCSA-N	1	0	361.389	1.651	20	30		FDEDRO
C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)c1cccc(Br)c1C#N)C2	ZINC000871815922	987269904	/nfs/dbraw/zinc/26/99/04/987269904.db2.gz	ZCQSXDYCEPOINZ-IINYFYTJSA-N	1	0	370.272	1.551	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](C[NH2+]C[C@@H](O)CC1(C#N)CC1)O2	ZINC000871983185	987406799	/nfs/dbraw/zinc/40/67/99/987406799.db2.gz	VPUILMDHEMFUMR-GJZGRUSLSA-N	1	0	365.474	1.799	20	30		FDEDRO
C#CCC[NH+]1CCC(NS(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC1	ZINC000872006617	987437990	/nfs/dbraw/zinc/43/79/90/987437990.db2.gz	MGHWWDIXXKAYBL-UHFFFAOYSA-N	1	0	357.457	1.731	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)cc1	ZINC000872230521	987530077	/nfs/dbraw/zinc/53/00/77/987530077.db2.gz	DESYZAKAOIWPOA-MJGOQNOKSA-N	1	0	360.454	1.668	20	30		FDEDRO
c1cc2nc(N=NC3CC[NH+](CCN4CCOCC4)CC3)sc2cn1	ZINC000872413956	987641331	/nfs/dbraw/zinc/64/13/31/987641331.db2.gz	HNAVHHZWHBIRLK-UHFFFAOYSA-N	1	0	360.487	1.887	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21	ZINC000872463080	987685901	/nfs/dbraw/zinc/68/59/01/987685901.db2.gz	ICROPQXTSDCCOP-BRWVUGGUSA-N	1	0	363.483	1.739	20	30		FDEDRO
CSC1(CNS(=O)(=O)c2ccc(C)cc2C#N)CC[NH+](C)CC1	ZINC000872488397	987713280	/nfs/dbraw/zinc/71/32/80/987713280.db2.gz	GYLASWTZTQOPTJ-UHFFFAOYSA-N	1	0	353.513	1.972	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1	ZINC000299164200	988186009	/nfs/dbraw/zinc/18/60/09/988186009.db2.gz	NXDQAUUTOHXHCC-GOSISDBHSA-N	1	0	354.454	1.603	20	30		FDEDRO
CN1CC[NH+](C[C@H]2CCCN(C(=O)c3c(F)cc(C#N)cc3F)C2)CC1	ZINC000365956156	988264029	/nfs/dbraw/zinc/26/40/29/988264029.db2.gz	BBFJXEKFFKOFED-CQSZACIVSA-N	1	0	362.424	1.936	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C#N)cn2)C[N@@H+]1Cc1ccccc1	ZINC000294096429	988305233	/nfs/dbraw/zinc/30/52/33/988305233.db2.gz	MYFGZNPLWVFDOX-YOEHRIQHSA-N	1	0	363.421	1.671	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC000872937048	988307814	/nfs/dbraw/zinc/30/78/14/988307814.db2.gz	CKPOTYZVGQZRFC-KSSFIOAISA-N	1	0	354.458	1.268	20	30		FDEDRO
CSc1ccc([C@H](CNc2c(C#N)c(=O)n(C)c(=O)n2C)[NH+](C)C)cc1	ZINC000294137243	988316325	/nfs/dbraw/zinc/31/63/25/988316325.db2.gz	QILNKIBWSUNIFI-HNNXBMFYSA-N	1	0	373.482	1.392	20	30		FDEDRO
C[C@@H]1CCC[N@H+](CCNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000366083212	988380356	/nfs/dbraw/zinc/38/03/56/988380356.db2.gz	UQPVKLZSIGAREW-WBVHZDCISA-N	1	0	357.458	1.848	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC000873061510	988496860	/nfs/dbraw/zinc/49/68/60/988496860.db2.gz	SGIMCAQZQDAZIR-QGZVFWFLSA-N	1	0	356.474	1.658	20	30		FDEDRO
N#Cc1ccc(S(N)(=O)=O)cc1N1CCC[N@H+](Cc2ccccc2)CC1	ZINC000366179886	988514440	/nfs/dbraw/zinc/51/44/40/988514440.db2.gz	FRJHPYJDGARWPZ-UHFFFAOYSA-N	1	0	370.478	1.918	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc([C@H]2CCOC2)cc1	ZINC000294826404	988545020	/nfs/dbraw/zinc/54/50/20/988545020.db2.gz	QTYCJQAHKBRBJW-KRWDZBQOSA-N	1	0	372.469	1.823	20	30		FDEDRO
Cn1cc(-c2ncc(CN3CCN(c4ncccc4C#N)CC3)cn2)cn1	ZINC000366221101	988552734	/nfs/dbraw/zinc/55/27/34/988552734.db2.gz	DSMIKFAUMFWDCE-UHFFFAOYSA-N	1	0	360.425	1.466	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1	ZINC000873104473	988557484	/nfs/dbraw/zinc/55/74/84/988557484.db2.gz	NCZZBYYKUBTMMX-NEPJUHHUSA-N	1	0	354.332	1.401	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1	ZINC000873104608	988558074	/nfs/dbraw/zinc/55/80/74/988558074.db2.gz	OSILAAWMXDGDCD-FZMZJTMJSA-N	1	0	369.343	1.233	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)Cn2cnc3c2C[C@H](C)[C@H](C)C3)CC1	ZINC000295089436	988605236	/nfs/dbraw/zinc/60/52/36/988605236.db2.gz	FFIRRLBPGLWKRU-GJYPPUQNSA-N	1	0	357.502	1.946	20	30		FDEDRO
C[NH+](C)CC[C@H](NC(=O)N1CCC(n2cnc(C#N)n2)CC1)C(C)(C)C	ZINC000366307823	988611040	/nfs/dbraw/zinc/61/10/40/988611040.db2.gz	GRFUGJKYAYACJK-HNNXBMFYSA-N	1	0	361.494	1.863	20	30		FDEDRO
C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(C[NH+](CC)CC)c2)C1=O	ZINC000299597884	988618513	/nfs/dbraw/zinc/61/85/13/988618513.db2.gz	XDTIMPHWIZSZGN-UHFFFAOYSA-N	1	0	372.425	1.444	20	30		FDEDRO
C#C[C@H]1CC[C@H](NC(=O)N2CCC([NH+](CCOC)CCOC)CC2)CC1	ZINC000873296464	988694991	/nfs/dbraw/zinc/69/49/91/988694991.db2.gz	GFFGTBNPVAQIFO-IYARVYRRSA-N	1	0	365.518	1.947	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1	ZINC000366706606	988753060	/nfs/dbraw/zinc/75/30/60/988753060.db2.gz	ZWLWNSADEPJUJW-QYZOEREBSA-N	1	0	364.534	1.779	20	30		FDEDRO
C#CC[C@@H](NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1	ZINC000366761938	988769772	/nfs/dbraw/zinc/76/97/72/988769772.db2.gz	LYIWACRELOIRJH-VQTJNVASSA-N	1	0	370.497	1.457	20	30		FDEDRO
CN1CCN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C[C@H]1C#N	ZINC000366830279	988801821	/nfs/dbraw/zinc/80/18/21/988801821.db2.gz	RRLPQPYCZQOYFA-YMAMQOFZSA-N	1	0	373.423	1.641	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1	ZINC000295892176	988803662	/nfs/dbraw/zinc/80/36/62/988803662.db2.gz	AHKPKVKFZDBDQH-AWEZNQCLSA-N	1	0	373.428	1.719	20	30		FDEDRO
CCN(CCC#N)C(=O)CN1CCCN(C(=O)c2cccc(OC)c2)CC1	ZINC000363032793	988850016	/nfs/dbraw/zinc/85/00/16/988850016.db2.gz	XGRFQGYPAGSMLG-UHFFFAOYSA-N	1	0	372.469	1.605	20	30		FDEDRO
Cc1n[nH]cc1C1CC[NH+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1	ZINC000367460077	988951893	/nfs/dbraw/zinc/95/18/93/988951893.db2.gz	YDUXBNTVXUGTCH-LJQANCHMSA-N	1	0	372.517	1.590	20	30		FDEDRO
CCCC[C@H](ON=C(C)C)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000368293156	988986916	/nfs/dbraw/zinc/98/69/16/988986916.db2.gz	GQJGIXQSYPRESK-ROUUACIJSA-N	1	0	368.522	1.480	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)CN1CCC(C)(C[NH+]2CCN(C)CC2)CC1	ZINC000368332621	988989307	/nfs/dbraw/zinc/98/93/07/988989307.db2.gz	OORYCKKIODZZPY-FQEVSTJZSA-N	1	0	363.550	1.390	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCc3cnn4ccccc34)=[NH+]C[C@@H]2C1	ZINC000368496188	988995760	/nfs/dbraw/zinc/99/57/60/988995760.db2.gz	MXEGASGZBYPBAA-OAHLLOKOSA-N	1	0	370.457	1.715	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)c1	ZINC000363282815	989059349	/nfs/dbraw/zinc/05/93/49/989059349.db2.gz	OUZHUDHFRYLQLT-CRAIPNDOSA-N	1	0	360.433	1.997	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)CC1	ZINC000369594671	989062319	/nfs/dbraw/zinc/06/23/19/989062319.db2.gz	ZXWPVIWESZBNSF-HNNXBMFYSA-N	1	0	357.429	1.783	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc3c2OCCCO3)CC1	ZINC000873734401	989087277	/nfs/dbraw/zinc/08/72/77/989087277.db2.gz	JNFHTELSDDOZKM-UHFFFAOYSA-N	1	0	359.426	1.553	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CC[N@@H+](C2CC2)C1	ZINC000296317755	989118253	/nfs/dbraw/zinc/11/82/53/989118253.db2.gz	SFFIECIAYYJAJZ-AWEZNQCLSA-N	1	0	356.426	1.470	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1C#N	ZINC000873769808	989149626	/nfs/dbraw/zinc/14/96/26/989149626.db2.gz	YKVQHFMNVILNQA-MRXNPFEDSA-N	1	0	358.442	1.838	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCc1ccc(-n2nc(C)cc2C)nc1	ZINC000296370781	989153788	/nfs/dbraw/zinc/15/37/88/989153788.db2.gz	OHIJRFBLTIHIKM-UHFFFAOYSA-N	1	0	354.458	1.638	20	30		FDEDRO
Cc1c(C(=O)N(C)C[C@@H](C)C#N)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000363397068	989161720	/nfs/dbraw/zinc/16/17/20/989161720.db2.gz	DUIIOVNNZPUFHZ-ZDUSSCGKSA-N	1	0	352.442	1.795	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)cc1C#N	ZINC000873802273	989223493	/nfs/dbraw/zinc/22/34/93/989223493.db2.gz	BUNOKUJVTZIEKW-UHFFFAOYSA-N	1	0	358.442	1.744	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc2c1OCCCO2	ZINC000873820384	989253656	/nfs/dbraw/zinc/25/36/56/989253656.db2.gz	PEWULJJMSVFKOI-UHFFFAOYSA-N	1	0	374.441	1.480	20	30		FDEDRO
Cc1cccnc1NC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C1	ZINC000369905115	989289054	/nfs/dbraw/zinc/28/90/54/989289054.db2.gz	VTKHISNGMTUBDH-CVEARBPZSA-N	1	0	357.458	1.801	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)C1	ZINC000369938692	989324621	/nfs/dbraw/zinc/32/46/21/989324621.db2.gz	VWDQNMMFQQIFLI-FUHWJXTLSA-N	1	0	355.486	1.936	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1=O	ZINC000296685760	989363008	/nfs/dbraw/zinc/36/30/08/989363008.db2.gz	CUCLPYLHXCYNHQ-SFHVURJKSA-N	1	0	356.470	1.350	20	30		FDEDRO
C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C1CCN(c2ncccn2)CC1	ZINC000370080984	989437716	/nfs/dbraw/zinc/43/77/16/989437716.db2.gz	CFZROQOTVAVEDH-SFHVURJKSA-N	1	0	367.453	1.689	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc(C#N)c1	ZINC000873971464	989549638	/nfs/dbraw/zinc/54/96/38/989549638.db2.gz	MZSXHPJKQHJHFZ-UHFFFAOYSA-N	1	0	358.442	1.314	20	30		FDEDRO
CC#CCN(C)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000297853329	989725872	/nfs/dbraw/zinc/72/58/72/989725872.db2.gz	ZRLMFOKUYQWKRV-SFHVURJKSA-N	1	0	356.470	1.549	20	30		FDEDRO
CCc1nnc(N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c(C#N)c1CC	ZINC000370449525	989756326	/nfs/dbraw/zinc/75/63/26/989756326.db2.gz	LUNXEEMTQALKGD-OAHLLOKOSA-N	1	0	358.490	1.291	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)CC1	ZINC000370569626	989848853	/nfs/dbraw/zinc/84/88/53/989848853.db2.gz	PHTJSUYHTZLMOQ-MOPGFXCFSA-N	1	0	364.534	1.970	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCCc2cccc(C#N)c2)CC1	ZINC000370632062	989910433	/nfs/dbraw/zinc/91/04/33/989910433.db2.gz	WKBOXOFDGDXHGD-HXUWFJFHSA-N	1	0	369.513	1.912	20	30		FDEDRO
CCc1nc(CN2C[C@@H]3C[NH+](CC(=O)N(CC)C[C@H](C)C#N)C[C@H]3C2)no1	ZINC000370746145	989965119	/nfs/dbraw/zinc/96/51/19/989965119.db2.gz	YSFPPVGACPVWOP-BZUAXINKSA-N	1	0	374.489	1.004	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000365026517	989965912	/nfs/dbraw/zinc/96/59/12/989965912.db2.gz	LCSOFBBPSIXGOU-SFHVURJKSA-N	1	0	372.469	1.134	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1	ZINC000370759527	989972983	/nfs/dbraw/zinc/97/29/83/989972983.db2.gz	NFPFEDNPJPVHIP-WDYCEAGBSA-N	1	0	357.454	1.943	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1	ZINC000370771128	989977973	/nfs/dbraw/zinc/97/79/73/989977973.db2.gz	DGGZWVYHCPTOSL-CGTJXYLNSA-N	1	0	357.454	1.943	20	30		FDEDRO
CN(C(=O)c1ccccc1OCC#N)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000370817515	990010625	/nfs/dbraw/zinc/01/06/25/990010625.db2.gz	COEVRTQZECPRAE-KRWDZBQOSA-N	1	0	356.470	1.829	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCCN2C(=O)[C@@H]2CCCO2)CC1	ZINC000365133917	990054718	/nfs/dbraw/zinc/05/47/18/990054718.db2.gz	MPWZXNYDIVCCDT-ROUUACIJSA-N	1	0	363.502	1.703	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)c1	ZINC000371230724	990316686	/nfs/dbraw/zinc/31/66/86/990316686.db2.gz	RWEHROBNMUBXHM-PKOBYXMFSA-N	1	0	366.465	1.650	20	30		FDEDRO
C[N@@H+]1C[C@H](NC(=O)CNC(=O)c2ccc(C#N)cc2)[C@@H](c2ccccc2)C1	ZINC000371268954	990327134	/nfs/dbraw/zinc/32/71/34/990327134.db2.gz	PCMYJWSKYLPCMW-MOPGFXCFSA-N	1	0	362.433	1.502	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cnc(C)nc1	ZINC001095433141	990341907	/nfs/dbraw/zinc/34/19/07/990341907.db2.gz	ZKNFAPGZAZWIPB-GFEQUFNTSA-N	1	0	356.470	1.988	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCCN(c2ncccc2C(N)=O)CC1	ZINC000371558440	990524596	/nfs/dbraw/zinc/52/45/96/990524596.db2.gz	VTTYWIWUOFVFHD-INIZCTEOSA-N	1	0	373.501	1.506	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@H]4[C@@H]3CCC[N@H+]4C)cc2C1=O	ZINC000874848505	990578111	/nfs/dbraw/zinc/57/81/11/990578111.db2.gz	SZLGZZVJAGNZAZ-SJORKVTESA-N	1	0	353.422	1.777	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1	ZINC000875039982	990776932	/nfs/dbraw/zinc/77/69/32/990776932.db2.gz	HQFNRXYPNQAIFP-IBGZPJMESA-N	1	0	371.481	1.230	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1	ZINC000875060860	990811179	/nfs/dbraw/zinc/81/11/79/990811179.db2.gz	SFOPPJGVWYNVGI-ROUUACIJSA-N	1	0	357.454	1.094	20	30		FDEDRO
CN1CCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H]1C#N	ZINC000372208160	990961120	/nfs/dbraw/zinc/96/11/20/990961120.db2.gz	AEKPVTDCRWOYON-RBUKOAKNSA-N	1	0	355.486	1.748	20	30		FDEDRO
CN1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3F)CC2)C[C@@H]1C#N	ZINC000372217803	990966994	/nfs/dbraw/zinc/96/69/94/990966994.db2.gz	QVFIVWBPUIDIRK-SFHVURJKSA-N	1	0	373.476	1.887	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3[C@@H]2C(C)(C)[C@H]3O)CC1	ZINC000875182312	991021979	/nfs/dbraw/zinc/02/19/79/991021979.db2.gz	KMVSPKWLQXGQQD-BBWFWOEESA-N	1	0	363.502	1.151	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1	ZINC000875204613	991072539	/nfs/dbraw/zinc/07/25/39/991072539.db2.gz	VFVODLRZKVLEEI-IAGOWNOFSA-N	1	0	357.454	1.420	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCC2CCN(CC(=O)NC3(C#N)CCC3)CC2)C[C@H](C)O1	ZINC000372610121	991267960	/nfs/dbraw/zinc/26/79/60/991267960.db2.gz	KYJAQGKGNKYJIH-CALCHBBNSA-N	1	0	362.518	1.760	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CO	ZINC000372651709	991299225	/nfs/dbraw/zinc/29/92/25/991299225.db2.gz	KFLRDFRCFFQXAE-IAGOWNOFSA-N	1	0	370.453	1.253	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO	ZINC000372666960	991322646	/nfs/dbraw/zinc/32/26/46/991322646.db2.gz	QRNAEKNFEGUHHL-CVEARBPZSA-N	1	0	374.416	1.084	20	30		FDEDRO
CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)c(Cl)c2)C1	ZINC000875565240	991743418	/nfs/dbraw/zinc/74/34/18/991743418.db2.gz	GIJVXBMVMCZWHX-AWEZNQCLSA-N	1	0	350.850	1.856	20	30		FDEDRO
CN(CC1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)c1cccnc1C#N	ZINC000372995597	991754029	/nfs/dbraw/zinc/75/40/29/991754029.db2.gz	JOIDFDOFEVMBIC-UHFFFAOYSA-N	1	0	371.466	1.885	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1	ZINC000875598121	991784538	/nfs/dbraw/zinc/78/45/38/991784538.db2.gz	RBZYWJNKTHRKJE-AEFFLSMTSA-N	1	0	363.502	1.444	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1	ZINC000875598843	991785891	/nfs/dbraw/zinc/78/58/91/991785891.db2.gz	LYSAZVUIQVXPSR-OALUTQOASA-N	1	0	371.481	1.264	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000875606419	991796013	/nfs/dbraw/zinc/79/60/13/991796013.db2.gz	URXYWNXUQIDGOM-HKUYNNGSSA-N	1	0	371.481	1.264	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)CC1	ZINC000373244264	992050163	/nfs/dbraw/zinc/05/01/63/992050163.db2.gz	PZSKYVHJHUZRNX-IAGOWNOFSA-N	1	0	361.486	1.799	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000875923391	992198193	/nfs/dbraw/zinc/19/81/93/992198193.db2.gz	BEYZUEVESTUYIH-IPMKNSEASA-N	1	0	359.470	1.207	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000875925086	992198271	/nfs/dbraw/zinc/19/82/71/992198271.db2.gz	ZZALQPOTFGKVDB-OTWHNJEPSA-N	1	0	359.470	1.207	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1	ZINC000373408767	992204177	/nfs/dbraw/zinc/20/41/77/992204177.db2.gz	ZDOVADDSWHQVIP-WTGUMLROSA-N	1	0	366.465	1.951	20	30		FDEDRO
CC1=NO[C@H](CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000875955570	992218342	/nfs/dbraw/zinc/21/83/42/992218342.db2.gz	VECHIHHYTLCCKB-SFHVURJKSA-N	1	0	355.442	1.987	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NC2CC([NH+]3CCCCC3)C2)n1	ZINC000373468346	992233633	/nfs/dbraw/zinc/23/36/33/992233633.db2.gz	JNTVKZHLOGICCP-UHFFFAOYSA-N	1	0	373.501	1.691	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1	ZINC000825862578	992504405	/nfs/dbraw/zinc/50/44/05/992504405.db2.gz	CERGHVLVUGASRI-LJQANCHMSA-N	1	0	355.482	1.941	20	30		FDEDRO
C#CC[C@]1(C(=O)NC[C@](C)(O)C[NH+](C)C)CCCN1C(=O)OC(C)(C)C	ZINC000373920207	992518726	/nfs/dbraw/zinc/51/87/26/992518726.db2.gz	JMJPJFJBPRGCMQ-RBUKOAKNSA-N	1	0	367.490	1.208	20	30		FDEDRO
C=CC[N@@H+](C)CCN(CC)[C@H](C)C(=O)N1CCN(c2ccccn2)CC1	ZINC000411639087	992530094	/nfs/dbraw/zinc/53/00/94/992530094.db2.gz	ILDMBIHZDUGBBR-GOSISDBHSA-N	1	0	359.518	1.558	20	30		FDEDRO
COC[C@@]1(C[NH+](C)C)COCCN1C(=O)[C@H](C)Oc1ccccc1C#N	ZINC000876471025	992628649	/nfs/dbraw/zinc/62/86/49/992628649.db2.gz	KGZSTGZLZMRCGW-KXBFYZLASA-N	1	0	361.442	1.131	20	30		FDEDRO
C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1	ZINC000374131944	992630510	/nfs/dbraw/zinc/63/05/10/992630510.db2.gz	WSDPVFZFPFOBLK-CQSZACIVSA-N	1	0	360.458	1.964	20	30		FDEDRO
COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1ncc(C#N)cc1Cl	ZINC000876471698	992632525	/nfs/dbraw/zinc/63/25/25/992632525.db2.gz	GKJVAFOLPLXOJL-INIZCTEOSA-N	1	0	352.822	1.026	20	30		FDEDRO
COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1cc2ccccc2n1CC#N	ZINC000876472140	992633754	/nfs/dbraw/zinc/63/37/54/992633754.db2.gz	IBJHFLJXPHQRAB-FQEVSTJZSA-N	1	0	370.453	1.584	20	30		FDEDRO
COC[C@]1(C[NH+](C)C)COCCN1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	ZINC000876474367	992644045	/nfs/dbraw/zinc/64/40/45/992644045.db2.gz	CCHIGVMNGMKXKH-NLWGTHIKSA-N	1	0	357.454	1.467	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1	ZINC000876581294	992717714	/nfs/dbraw/zinc/71/77/14/992717714.db2.gz	FWLBHRIIPASQDK-HNNXBMFYSA-N	1	0	353.825	1.970	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@H](O)COc1ccccc1	ZINC000876602918	992733549	/nfs/dbraw/zinc/73/35/49/992733549.db2.gz	XLTNMHVOQMGTEG-LPHOPBHVSA-N	1	0	351.406	1.301	20	30		FDEDRO
CCOC(=O)C1CCC(NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876606954	992738742	/nfs/dbraw/zinc/73/87/42/992738742.db2.gz	NDNHDMSWEMYICF-JFUPDXTOSA-N	1	0	355.438	1.983	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000876610394	992741163	/nfs/dbraw/zinc/74/11/63/992741163.db2.gz	ZDLYENFRZZSHQD-FZMZJTMJSA-N	1	0	359.879	1.584	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(CCCOCC(F)(F)F)CC1	ZINC000876620824	992747836	/nfs/dbraw/zinc/74/78/36/992747836.db2.gz	QAIGSLXLWNXIGC-GFCCVEGCSA-N	1	0	357.804	1.570	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccccc2OCC#N)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000374286418	992752961	/nfs/dbraw/zinc/75/29/61/992752961.db2.gz	GCNSPKMJWAHOFP-SJLPKXTDSA-N	1	0	356.470	1.687	20	30		FDEDRO
CCCNC(=O)[C@H]1CCCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876634448	992759755	/nfs/dbraw/zinc/75/97/55/992759755.db2.gz	RLINVMMRXRILBD-WMZOPIPTSA-N	1	0	354.454	1.510	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@@H](c2nccn2C)C1	ZINC000374329874	992774287	/nfs/dbraw/zinc/77/42/87/992774287.db2.gz	GOLCRTAZQDWMQL-CYBMUJFWSA-N	1	0	370.384	1.526	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1	ZINC000876702771	992809417	/nfs/dbraw/zinc/80/94/17/992809417.db2.gz	FBRCVKWTIMPQPK-CQSZACIVSA-N	1	0	356.253	1.981	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCN(C[C@H]2CCCO2)CC1	ZINC000876709583	992814797	/nfs/dbraw/zinc/81/47/97/992814797.db2.gz	VHLQNZLYVQZDCB-MJGOQNOKSA-N	1	0	354.454	1.068	20	30		FDEDRO
CN(C(=O)CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)C1(C#N)CCCCC1	ZINC000374419495	992831881	/nfs/dbraw/zinc/83/18/81/992831881.db2.gz	HYSPCEVQZVUDHS-FGTMMUONSA-N	1	0	362.518	1.855	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCCN(c2nccs2)CC1	ZINC000876736429	992852624	/nfs/dbraw/zinc/85/26/24/992852624.db2.gz	LALIDMYFKBRLAG-KRWDZBQOSA-N	1	0	367.478	1.940	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1	ZINC000876739592	992857795	/nfs/dbraw/zinc/85/77/95/992857795.db2.gz	DEWQNBFNNMAIBC-HOTGVXAUSA-N	1	0	355.841	1.785	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1	ZINC000876753114	992874764	/nfs/dbraw/zinc/87/47/64/992874764.db2.gz	IMZJRFYUBTWGMH-BPUTZDHNSA-N	1	0	370.925	1.295	20	30		FDEDRO
COc1ccc(-c2nc(C)sc2CC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cc1	ZINC000876802596	992920395	/nfs/dbraw/zinc/92/03/95/992920395.db2.gz	QWQKOSIRCGBJNU-DZGCQCFKSA-N	1	0	356.451	1.897	20	30		FDEDRO
C=CCn1c(C)cc(C(=O)CN2CCC(N3CCN(C)CC3=O)CC2)c1C	ZINC000374747228	992935023	/nfs/dbraw/zinc/93/50/23/992935023.db2.gz	DFAKJBUDAJGGJE-UHFFFAOYSA-N	1	0	372.513	1.712	20	30		FDEDRO
CC[C@H]1CN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CCN1CC(F)F	ZINC000876888742	992950018	/nfs/dbraw/zinc/95/00/18/992950018.db2.gz	FKUJYBPRVIUXOR-YJBOKZPZSA-N	1	0	362.424	1.933	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1	ZINC000876910068	992963447	/nfs/dbraw/zinc/96/34/47/992963447.db2.gz	RKRZOLCBJIESCH-QGZVFWFLSA-N	1	0	364.877	1.441	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)N2CCC[C@H]2Cn2ccnc2)c(F)c1	ZINC000375024949	992985029	/nfs/dbraw/zinc/98/50/29/992985029.db2.gz	RJNOREIEHIKBBS-ZDUSSCGKSA-N	1	0	358.348	1.772	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)s1	ZINC000876986110	992996219	/nfs/dbraw/zinc/99/62/19/992996219.db2.gz	XWUPXBIDNFIONQ-LRDDRELGSA-N	1	0	369.512	1.095	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1	ZINC000876992719	992997896	/nfs/dbraw/zinc/99/78/96/992997896.db2.gz	ILHWUIZWSNYNSS-GJZGRUSLSA-N	1	0	372.874	1.460	20	30		FDEDRO
C#CCOc1ccccc1C[N@H+]1CCC[C@@H](n2cc(C(=O)OC)nn2)C1	ZINC000375173526	993015711	/nfs/dbraw/zinc/01/57/11/993015711.db2.gz	AYQQMGXPNRRRRA-MRXNPFEDSA-N	1	0	354.410	1.914	20	30		FDEDRO
CNC(=O)CO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(OCC#N)cc1)C2	ZINC001137116519	993081281	/nfs/dbraw/zinc/08/12/81/993081281.db2.gz	HKSGXQKUEDRYCU-UYAOXDASSA-N	1	0	373.453	1.475	20	30		FDEDRO
N#Cc1ccccc1N1CCC(NC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1	ZINC000877176090	993088345	/nfs/dbraw/zinc/08/83/45/993088345.db2.gz	OLEQDIPZSKHDOD-HNNXBMFYSA-N	1	0	364.453	1.757	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([NH2+]CC3CCS(=O)(=O)CC3)C2=O)cc1	ZINC000877185924	993092446	/nfs/dbraw/zinc/09/24/46/993092446.db2.gz	XEBGQQWVWFCJDC-QGZVFWFLSA-N	1	0	361.467	1.468	20	30		FDEDRO
C[NH+]1CCC(n2cc(NC(=O)[C@H]3NCCc4cc(C#N)ccc43)cn2)CC1	ZINC000877196372	993098863	/nfs/dbraw/zinc/09/88/63/993098863.db2.gz	YGDALEMZYJZIHM-IBGZPJMESA-N	1	0	364.453	1.847	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)COc3ccc(C#N)cc3)C[C@H]2[NH3+])cc1	ZINC000877238238	993134053	/nfs/dbraw/zinc/13/40/53/993134053.db2.gz	CCPUIOVTBBUAQE-RBUKOAKNSA-N	1	0	351.406	1.899	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)c2cccc(Br)c2C#N)CC[C@@H]1C[NH3+]	ZINC000923705231	993502122	/nfs/dbraw/zinc/50/21/22/993502122.db2.gz	YTFGYXKZFHELAC-WDEREUQCSA-N	1	0	372.288	1.926	20	30		FDEDRO
CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H]1CCCN(O)C1=O	ZINC000878121018	993724568	/nfs/dbraw/zinc/72/45/68/993724568.db2.gz	PYMPCDBPLUZARV-OAHLLOKOSA-N	1	0	364.446	1.909	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)CN1CCCCS1(=O)=O)C(C)C	ZINC000878190772	993775165	/nfs/dbraw/zinc/77/51/65/993775165.db2.gz	PWYQSMVUOZZRAC-INIZCTEOSA-N	1	0	357.520	1.227	20	30		FDEDRO
C[NH+]1CCC(NC(=O)CN2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1	ZINC000878390672	993937275	/nfs/dbraw/zinc/93/72/75/993937275.db2.gz	XESYHEUMAAVDBT-LJQANCHMSA-N	1	0	373.476	1.218	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[N@H+](CCN2CCOCC2)[C@@H]2CCSC2)cc1	ZINC000878872087	994308917	/nfs/dbraw/zinc/30/89/17/994308917.db2.gz	ZQABJVIWFCMGQI-MOPGFXCFSA-N	1	0	361.511	1.731	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCc1cnn(C)c1)C2	ZINC000965161968	1015865375	/nfs/dbraw/zinc/86/53/75/1015865375.db2.gz	WLZUKRQIZNNMEX-INFDXNDLSA-N	1	0	358.486	1.571	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)CC1	ZINC000924237251	994512295	/nfs/dbraw/zinc/51/22/95/994512295.db2.gz	SMDCGCYAOBYFPV-GDBMZVCRSA-N	1	0	364.490	1.639	20	30		FDEDRO
C[N@H+](CCc1cccc(C#N)c1)C[C@@H](O)CN1C(=O)c2ccccc2C1=O	ZINC000879432371	994909384	/nfs/dbraw/zinc/90/93/84/994909384.db2.gz	IVWYYVOFRJDFAW-QGZVFWFLSA-N	1	0	363.417	1.690	20	30		FDEDRO
COC(=O)C[C@](C)([NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)C1CC1	ZINC000879442082	994915995	/nfs/dbraw/zinc/91/59/95/994915995.db2.gz	NCICQPWVJFKRSQ-APWZRJJASA-N	1	0	364.490	1.000	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1=O	ZINC000925351550	995524766	/nfs/dbraw/zinc/52/47/66/995524766.db2.gz	KWDIMMPFRPBGBI-SZMVWBNQSA-N	1	0	357.454	1.878	20	30		FDEDRO
N#CC1(c2ccccc2)CCC([NH2+]CC[C@@H]2CNCCS2(=O)=O)CC1	ZINC000925791402	995774112	/nfs/dbraw/zinc/77/41/12/995774112.db2.gz	GMMQSNNIPWKASV-JLAWEPINSA-N	1	0	361.511	1.757	20	30		FDEDRO
C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O	ZINC000926143250	995934938	/nfs/dbraw/zinc/93/49/38/995934938.db2.gz	NEZNDAKURZSMGV-GFJCLWMYSA-N	1	0	350.503	1.954	20	30		FDEDRO
C=CCn1cc2ccc(NC(=O)N3CC[C@H](N4CC[NH2+]CC4)C3)cc2n1	ZINC000926222941	995980293	/nfs/dbraw/zinc/98/02/93/995980293.db2.gz	FRNKOHWDDORCGY-KRWDZBQOSA-N	1	0	354.458	1.734	20	30		FDEDRO
CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3cccc(C#CCO)c3)C2)[C@@H]1C(C)C	ZINC000926267911	996011368	/nfs/dbraw/zinc/01/13/68/996011368.db2.gz	BPJAVSDVSUKTGE-XWSHUIEDSA-N	1	0	370.493	1.630	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O	ZINC000926268109	996011391	/nfs/dbraw/zinc/01/13/91/996011391.db2.gz	FTTWJKWGCPQULZ-GFJCLWMYSA-N	1	0	350.503	1.954	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O	ZINC000926268112	996011520	/nfs/dbraw/zinc/01/15/20/996011520.db2.gz	FTTWJKWGCPQULZ-ZMYBMPLZSA-N	1	0	350.503	1.954	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H](c3nnc(C(C)C)[nH]3)C[C@H]2O)CC1	ZINC000926804130	996311721	/nfs/dbraw/zinc/31/17/21/996311721.db2.gz	HXHZEZBPNKJVLU-GVDBMIGSSA-N	1	0	373.501	1.244	20	30		FDEDRO
CCO[C@@H](CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)C[NH+](C)C	ZINC000926843560	996335978	/nfs/dbraw/zinc/33/59/78/996335978.db2.gz	FEYPMVBYCRTVCV-HOTGVXAUSA-N	1	0	361.446	1.083	20	30		FDEDRO
CCO[C@@H](CNC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1)C[NH+](C)C	ZINC000926849192	996338876	/nfs/dbraw/zinc/33/88/76/996338876.db2.gz	IJZFVXHAYCXNFE-IRXDYDNUSA-N	1	0	374.489	1.506	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC[C@@H]1CNC(=O)C1	ZINC000926970647	996384242	/nfs/dbraw/zinc/38/42/42/996384242.db2.gz	WBIWSQHMDJAHQJ-KRWDZBQOSA-N	1	0	357.458	1.158	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F	ZINC000887034295	996847336	/nfs/dbraw/zinc/84/73/36/996847336.db2.gz	PQYDCVBOZAVKOE-LLVKDONJSA-N	1	0	369.343	1.137	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1	ZINC000887078721	996913839	/nfs/dbraw/zinc/91/38/39/996913839.db2.gz	BOWSEMUFJGZGRX-FQEVSTJZSA-N	1	0	354.454	1.509	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)NCc2cnn(-c3ccccc3)c2)CCOCC1	ZINC000887123460	996954176	/nfs/dbraw/zinc/95/41/76/996954176.db2.gz	PSFIDEDMHNOWFA-UHFFFAOYSA-N	1	0	352.438	1.651	20	30		FDEDRO
C=CCC1(O)CCN([C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2=O)CC1	ZINC000887305976	997137664	/nfs/dbraw/zinc/13/76/64/997137664.db2.gz	FBZWCJUMBGKXRM-MRXNPFEDSA-N	1	0	374.437	1.739	20	30		FDEDRO
CC[C@@H](C)NC(=[NH2+])NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1	ZINC000264070944	997395188	/nfs/dbraw/zinc/39/51/88/997395188.db2.gz	GDJJCYYIADDNRQ-GDBMZVCRSA-N	1	0	364.490	1.780	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NC[C@@H](c1ccco1)N1CCCCC1	ZINC000264077758	997397601	/nfs/dbraw/zinc/39/76/01/997397601.db2.gz	HUTXYSZQHKKDON-KRWDZBQOSA-N	1	0	363.506	1.433	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCCC(=O)NC2CCCCC2)cc1OC	ZINC000264086177	997399678	/nfs/dbraw/zinc/39/96/78/997399678.db2.gz	JHMTZHZNTFIQPE-UHFFFAOYSA-N	1	0	362.474	1.947	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCC[C@H]2c3ccccc3NC2=O)CC1	ZINC000264120021	997405646	/nfs/dbraw/zinc/40/56/46/997405646.db2.gz	QVCKLYXJWCENME-HNNXBMFYSA-N	1	0	373.457	1.638	20	30		FDEDRO
[NH2+]=C(NCCCCNc1ccccn1)N1CCN(c2ncccn2)CC1	ZINC000264322412	997459614	/nfs/dbraw/zinc/45/96/14/997459614.db2.gz	YAPREOHIXCMPPD-UHFFFAOYSA-N	1	0	354.462	1.201	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC#Cc2ccccc2)CC1=O	ZINC000264357162	997476992	/nfs/dbraw/zinc/47/69/92/997476992.db2.gz	AQXVTWSVMQYHRG-OALUTQOASA-N	1	0	353.466	1.487	20	30		FDEDRO
COc1ccc([C@@H](CNC(=O)N2CCO[C@@H](C#N)C2)[NH+](C)C)cc1OC	ZINC000264367227	997482807	/nfs/dbraw/zinc/48/28/07/997482807.db2.gz	IZBKIKXCQNQEFP-LSDHHAIUSA-N	1	0	362.430	1.240	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000264383926	997491332	/nfs/dbraw/zinc/49/13/32/997491332.db2.gz	DIKZQKSOIXIIAB-JKSUJKDBSA-N	1	0	361.442	1.897	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(C)C	ZINC000264892536	997650759	/nfs/dbraw/zinc/65/07/59/997650759.db2.gz	KDVUHNBSFSQIDH-INIZCTEOSA-N	1	0	362.430	1.571	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1cccc(NC(=O)C2CCC2)c1	ZINC000265006431	997671791	/nfs/dbraw/zinc/67/17/91/997671791.db2.gz	YIVVVJJMRLPMGQ-UHFFFAOYSA-N	1	0	373.501	1.422	20	30		FDEDRO
C[NH+](C)CCn1cc(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cn1	ZINC000887737543	997713404	/nfs/dbraw/zinc/71/34/04/997713404.db2.gz	XZZJYOSNWLLDMX-GOSISDBHSA-N	1	0	353.426	1.530	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)CCNC(=O)C2N=CC=CC2=O)CCCCCC1	ZINC000265398520	997780792	/nfs/dbraw/zinc/78/07/92/997780792.db2.gz	HLMICNGQABKNLK-ZCXUNETKSA-N	1	0	362.474	1.674	20	30		FDEDRO
COc1cc(/C=C/C(=O)N2CCO[C@@H](C[NH+](C)C)C2)ccc1OCC#N	ZINC000265404081	997782014	/nfs/dbraw/zinc/78/20/14/997782014.db2.gz	YGTLLRXNKOLXMJ-YERXGYGTSA-N	1	0	359.426	1.400	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NCC[N@@H+](C)CC)cc1	ZINC000265404211	997782153	/nfs/dbraw/zinc/78/21/53/997782153.db2.gz	VBNGYZHSDUOSCA-UHFFFAOYSA-N	1	0	372.469	1.507	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)Nc2ccc(C#N)cn2)CC1	ZINC000889222349	998230172	/nfs/dbraw/zinc/23/01/72/998230172.db2.gz	NPXJCGHFFOLJMH-UHFFFAOYSA-N	1	0	351.414	1.422	20	30		FDEDRO
N#Cc1cccc(-c2cc(C(=O)N3CC[C@@H]4[C@H]3CCC[N@H+]4CCO)on2)c1	ZINC000889758356	998610614	/nfs/dbraw/zinc/61/06/14/998610614.db2.gz	ZHEJRXBLDDGRLR-QZTJIDSGSA-N	1	0	366.421	1.884	20	30		FDEDRO
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000889775128	998645123	/nfs/dbraw/zinc/64/51/23/998645123.db2.gz	LICUVRUQKSVVKZ-SJORKVTESA-N	1	0	368.437	1.922	20	30		FDEDRO
C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)Nc2cccc(CC#N)n2)C1	ZINC000889796963	998665844	/nfs/dbraw/zinc/66/58/44/998665844.db2.gz	ZXZMQHSUPCVCDX-GASCZTMLSA-N	1	0	357.458	1.570	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(CC#N)n1)c1ccc(F)cc1	ZINC000889862283	998710935	/nfs/dbraw/zinc/71/09/35/998710935.db2.gz	HPQWDXHJBSBKCK-INIZCTEOSA-N	1	0	369.400	1.644	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc(C2CC2)c(C#N)c1	ZINC000890011230	998772219	/nfs/dbraw/zinc/77/22/19/998772219.db2.gz	NBKBDDSZMGNEMM-SGTLLEGYSA-N	1	0	352.438	1.973	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)N2CCOC[C@H]2c2ccc(OC)cc2)C1	ZINC000890361222	998913480	/nfs/dbraw/zinc/91/34/80/998913480.db2.gz	MGIHVABEKQWSLD-HKUYNNGSSA-N	1	0	357.454	1.876	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000890377460	998921217	/nfs/dbraw/zinc/92/12/17/998921217.db2.gz	LSIUCVUEEORZNS-FQEVSTJZSA-N	1	0	367.497	1.729	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCCC1(F)F)C2	ZINC001110848441	999031513	/nfs/dbraw/zinc/03/15/13/999031513.db2.gz	QKAKRIWHXKCAJS-BARDWOONSA-N	1	0	355.429	1.836	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C2	ZINC001110879994	999105215	/nfs/dbraw/zinc/10/52/15/999105215.db2.gz	BIIBJRRQKOPPMP-JJXSEGSLSA-N	1	0	351.491	1.461	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(OC)c(-n3cnnn3)c2)CC1	ZINC000266412190	999159587	/nfs/dbraw/zinc/15/95/87/999159587.db2.gz	PBEMEGVTBZCENV-UHFFFAOYSA-N	1	0	371.445	1.833	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1	ZINC000266653241	999209869	/nfs/dbraw/zinc/20/98/69/999209869.db2.gz	NKUIZZMHTRIZNV-INIZCTEOSA-N	1	0	358.442	1.263	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(NC(C)=O)ccc2OC)CC1	ZINC000266708431	999216984	/nfs/dbraw/zinc/21/69/84/999216984.db2.gz	NFLVKXCJKAAGLB-UHFFFAOYSA-N	1	0	374.441	1.359	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000267425494	999331927	/nfs/dbraw/zinc/33/19/27/999331927.db2.gz	LIJDQOXDXZZXKM-ZDUSSCGKSA-N	1	0	355.446	1.198	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC1([NH+](C)C)CCCC1	ZINC000268109474	999431755	/nfs/dbraw/zinc/43/17/55/999431755.db2.gz	OLOQNMJBGDOPEB-OAHLLOKOSA-N	1	0	371.489	1.443	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)cc1	ZINC000268651741	999446745	/nfs/dbraw/zinc/44/67/45/999446745.db2.gz	WAZBDQICPHGISX-LJQANCHMSA-N	1	0	350.422	1.513	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1	ZINC000269011169	999462310	/nfs/dbraw/zinc/46/23/10/999462310.db2.gz	MSVWJKGGZVBLEO-CRAIPNDOSA-N	1	0	355.438	1.580	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C(C)C	ZINC000269591821	999470095	/nfs/dbraw/zinc/47/00/95/999470095.db2.gz	CRACARZCHAEBIB-HNNXBMFYSA-N	1	0	362.430	1.571	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1	ZINC000270069777	999507427	/nfs/dbraw/zinc/50/74/27/999507427.db2.gz	AUAKJJFSDQPKNB-MRXNPFEDSA-N	1	0	370.453	1.696	20	30		FDEDRO
N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCCC[C@H]([NH+]3CCCC3)C1)CC2	ZINC000270169674	999521082	/nfs/dbraw/zinc/52/10/82/999521082.db2.gz	JUQCOGSOVQGTRH-SFHVURJKSA-N	1	0	366.465	1.924	20	30		FDEDRO
N#Cc1ccc2c(c1)N(C(=O)C(=O)NC1CC[NH+](C3CCCC3)CC1)CC2	ZINC000270204802	999526434	/nfs/dbraw/zinc/52/64/34/999526434.db2.gz	PVIGJVNAWQNSIH-UHFFFAOYSA-N	1	0	366.465	1.971	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1	ZINC000271333637	999693254	/nfs/dbraw/zinc/69/32/54/999693254.db2.gz	CQJJLNSRDRNRGN-UHFFFAOYSA-N	1	0	356.470	1.985	20	30		FDEDRO
C#CCN(C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CC1	ZINC000274040821	999735480	/nfs/dbraw/zinc/73/54/80/999735480.db2.gz	AVPDJHQRJWFSFG-GOSISDBHSA-N	1	0	368.481	1.691	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)NCc1cccc(C#N)c1)c1ccccc1	ZINC000283178882	999744040	/nfs/dbraw/zinc/74/40/40/999744040.db2.gz	DUCVUIOFECSJKA-SFHVURJKSA-N	1	0	350.422	1.594	20	30		FDEDRO
CN(CCC#N)C(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1	ZINC000283415068	999752192	/nfs/dbraw/zinc/75/21/92/999752192.db2.gz	XHFYBDSZKRRGFQ-UHFFFAOYSA-N	1	0	358.442	1.862	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1	ZINC000283749396	999761481	/nfs/dbraw/zinc/76/14/81/999761481.db2.gz	FXFXTQKNQFRVDN-RDJZCZTQSA-N	1	0	368.437	1.580	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1	ZINC000283879665	999762978	/nfs/dbraw/zinc/76/29/78/999762978.db2.gz	GVZOAKUNLHJAIY-GOSISDBHSA-N	1	0	358.486	1.172	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NCCc1ccncc1C)C(C)C	ZINC000284010089	999769035	/nfs/dbraw/zinc/76/90/35/999769035.db2.gz	KOQXKPGAILUJHF-LJQANCHMSA-N	1	0	372.513	1.864	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N3CCO[C@@H]4CC[N@@H+](C)C[C@@H]43)CC2)o1	ZINC000285925014	999926228	/nfs/dbraw/zinc/92/62/28/999926228.db2.gz	URSMFJIAPZRALR-DLBZAZTESA-N	1	0	373.457	1.003	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NCCCCC#N	ZINC000286368597	999943995	/nfs/dbraw/zinc/94/39/95/999943995.db2.gz	CWDBETKSTMGWDZ-QGZVFWFLSA-N	1	0	356.470	1.919	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCO[C@@H](c3ccccc3)C2)CC1	ZINC000286482952	999944722	/nfs/dbraw/zinc/94/47/22/999944722.db2.gz	JHHARDYWWAXMLM-GOSISDBHSA-N	1	0	357.454	1.353	20	30		FDEDRO
C#CCNc1nc(N[C@@H]2CCO[C@H](C)C2)[nH+]c(N[C@@H]2CCO[C@H](C)C2)n1	ZINC000286596833	999945325	/nfs/dbraw/zinc/94/53/25/999945325.db2.gz	UMJGGOOKCXLZTD-KBUPBQIOSA-N	1	0	360.462	1.876	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCCCCC#N	ZINC000286648411	999945692	/nfs/dbraw/zinc/94/56/92/999945692.db2.gz	GELSVVGSRKHVGG-SFHVURJKSA-N	1	0	371.485	1.705	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)NCCn2cnc(C#N)n2)C[N@@H+]1Cc1ccccc1	ZINC000286700681	999946514	/nfs/dbraw/zinc/94/65/14/999946514.db2.gz	DTNGOYGRIOCYSR-GOEBONIOSA-N	1	0	353.430	1.112	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCO[C@@H](Cc3ccccc3)C2)CC1	ZINC000286756722	999949173	/nfs/dbraw/zinc/94/91/73/999949173.db2.gz	TVIFZQHSKFRQHG-IBGZPJMESA-N	1	0	371.481	1.223	20	30		FDEDRO
C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1	ZINC000286814319	999951091	/nfs/dbraw/zinc/95/10/91/999951091.db2.gz	XBADINHGWPOOFF-UYAOXDASSA-N	1	0	356.514	1.804	20	30		FDEDRO
COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CCn2cnc(C#N)n2)c1	ZINC000287764617	999959844	/nfs/dbraw/zinc/95/98/44/999959844.db2.gz	ZZOTXIVMANZLIR-GFCCVEGCSA-N	1	0	358.402	1.174	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC1(O)CCOCC1	ZINC000288010894	999982123	/nfs/dbraw/zinc/98/21/23/999982123.db2.gz	LHXJCORFRCVKNZ-UHFFFAOYSA-N	1	0	374.485	1.563	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C	ZINC000288161643	999992110	/nfs/dbraw/zinc/99/21/10/999992110.db2.gz	MXSYIAGUXRFNRH-YOEHRIQHSA-N	1	0	373.428	1.861	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1)C(C)(C)C	ZINC000288473946	1000020032	/nfs/dbraw/zinc/02/00/32/1000020032.db2.gz	SAUQVDUOTWTWHK-SFHVURJKSA-N	1	0	370.497	1.931	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3ccncc3)C2)CC1	ZINC000289288839	1000087963	/nfs/dbraw/zinc/08/79/63/1000087963.db2.gz	GYJIZNQDKXOOJV-UXHICEINSA-N	1	0	369.513	1.953	20	30		FDEDRO
N#CCCc1ccc(NC(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1	ZINC000927799541	1001058669	/nfs/dbraw/zinc/05/86/69/1001058669.db2.gz	OUNUVSYSMKBMOQ-IAGOWNOFSA-N	1	0	354.454	1.929	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000927841495	1001097801	/nfs/dbraw/zinc/09/78/01/1001097801.db2.gz	FSWUPVGYTMGRLY-AWEZNQCLSA-N	1	0	353.463	1.130	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c1	ZINC000927843254	1001100997	/nfs/dbraw/zinc/10/09/97/1001100997.db2.gz	WKZPGYCQVXFYGB-OLZOCXBDSA-N	1	0	354.332	1.429	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c(F)c1	ZINC000927845563	1001106598	/nfs/dbraw/zinc/10/65/98/1001106598.db2.gz	MVVKDXVLGMBCFZ-KOLCDFICSA-N	1	0	358.295	1.374	20	30		FDEDRO
CC1(C)CN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1[NH3+]	ZINC000927855150	1001126726	/nfs/dbraw/zinc/12/67/26/1001126726.db2.gz	SEDFOWHVRLMMFZ-GFCCVEGCSA-N	1	0	354.332	1.711	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCNC(C)=O	ZINC001110933616	1001204570	/nfs/dbraw/zinc/20/45/70/1001204570.db2.gz	OSZOAELZJDEFCH-TVFCKZIOSA-N	1	0	351.491	1.463	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C(F)(F)n2cc(-c3ccccc3)nn2)CC1	ZINC000928648082	1001606573	/nfs/dbraw/zinc/60/65/73/1001606573.db2.gz	FQZRCRLZYAKKHF-UHFFFAOYSA-N	1	0	359.380	1.708	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H](O)Cc2cccc(C(F)(F)F)c2)CC1	ZINC000928652702	1001609818	/nfs/dbraw/zinc/60/98/18/1001609818.db2.gz	JEIXRUBSVWNENE-INIZCTEOSA-N	1	0	354.372	1.823	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CCCCN2C(=O)c3ccccc3C2=O)CC1	ZINC000928653408	1001610470	/nfs/dbraw/zinc/61/04/70/1001610470.db2.gz	LKEPZZUHBULCBY-UHFFFAOYSA-N	1	0	367.449	1.667	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CN(CCOC)C(=O)OC(C)(C)C)CC1	ZINC000928654803	1001611145	/nfs/dbraw/zinc/61/11/45/1001611145.db2.gz	DYCULODNFZJBCX-UHFFFAOYSA-N	1	0	353.463	1.084	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1	ZINC000928656881	1001612652	/nfs/dbraw/zinc/61/26/52/1001612652.db2.gz	IVNBLZJPOQAZMG-UHFFFAOYSA-N	1	0	353.382	1.608	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1	ZINC000928657201	1001612680	/nfs/dbraw/zinc/61/26/80/1001612680.db2.gz	ROZWMQKHAFARSX-UHFFFAOYSA-N	1	0	364.453	1.364	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CCCN2c2ncnc3sccc32)CC1	ZINC000928658147	1001613202	/nfs/dbraw/zinc/61/32/02/1001613202.db2.gz	MGKLWDUQLZYWTM-MRXNPFEDSA-N	1	0	369.494	1.874	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CCc2ccc(OC)c(OC)c2OC)CC1	ZINC000928657519	1001613276	/nfs/dbraw/zinc/61/32/76/1001613276.db2.gz	LVDGXBJMTQYDDB-UHFFFAOYSA-N	1	0	360.454	1.859	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2nnn(-c3ccc(OC)cc3)c2C)CC1	ZINC000928657311	1001613377	/nfs/dbraw/zinc/61/33/77/1001613377.db2.gz	WNSQJUWYSXOECJ-UHFFFAOYSA-N	1	0	353.426	1.412	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Cc2csc(NC(=O)c3ccco3)n2)CC1	ZINC000928658966	1001614778	/nfs/dbraw/zinc/61/47/78/1001614778.db2.gz	ZXKDETZVXNMCJB-UHFFFAOYSA-N	1	0	372.450	1.745	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)CC1	ZINC000928660816	1001616002	/nfs/dbraw/zinc/61/60/02/1001616002.db2.gz	HGYZDJWODGYUFQ-GVDBMIGSSA-N	1	0	361.486	1.703	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cccn3ncc(Br)c23)CC1	ZINC000928661137	1001616062	/nfs/dbraw/zinc/61/60/62/1001616062.db2.gz	YHFFQIKEJJEHKI-UHFFFAOYSA-N	1	0	361.243	1.924	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCc3nn(C)cc31)C2	ZINC001110947445	1001618535	/nfs/dbraw/zinc/61/85/35/1001618535.db2.gz	OGOLLCYUBKANAL-OHQAAIJDSA-N	1	0	358.486	1.764	20	30		FDEDRO
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1	ZINC000928717710	1001634576	/nfs/dbraw/zinc/63/45/76/1001634576.db2.gz	XRAUMQIGOAYUDH-QGZVFWFLSA-N	1	0	371.485	1.715	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H](C)CCc1ccccc1)C1CC[NH+](C)CC1	ZINC000929110788	1001755821	/nfs/dbraw/zinc/75/58/21/1001755821.db2.gz	IQLLQGNYDFBUON-KRWDZBQOSA-N	1	0	355.482	1.680	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2CNS(C)(=O)=O)cc1	ZINC000929257397	1001868105	/nfs/dbraw/zinc/86/81/05/1001868105.db2.gz	RMNMNMRIUIYKGV-KRWDZBQOSA-N	1	0	363.483	1.400	20	30		FDEDRO
Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCO[C@](C)(C#N)C1	ZINC000929314381	1001926094	/nfs/dbraw/zinc/92/60/94/1001926094.db2.gz	PTVOWXCUOQBLTP-LJQANCHMSA-N	1	0	357.458	1.893	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H](C)Cc1ccccc1F)C1CC[NH+](C)CC1	ZINC000929439081	1002056531	/nfs/dbraw/zinc/05/65/31/1002056531.db2.gz	FLQGIYUAJGWVFW-HNNXBMFYSA-N	1	0	359.445	1.429	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCCO[C@H]1CCCC[C@@H]1C)C1CC[NH+](C)CC1	ZINC000929445014	1002065793	/nfs/dbraw/zinc/06/57/93/1002065793.db2.gz	ODBBPBFDOWFAIV-WMZOPIPTSA-N	1	0	363.502	1.254	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3cnccc3C)C[C@H]2C)CC1	ZINC000948107076	1002101294	/nfs/dbraw/zinc/10/12/94/1002101294.db2.gz	RPCIIDHZUZUVEO-VQIMIIECSA-N	1	0	368.481	1.312	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1	ZINC000929571643	1002218178	/nfs/dbraw/zinc/21/81/78/1002218178.db2.gz	WHYGUJWSQIGRIQ-UHFFFAOYSA-N	1	0	356.348	1.665	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H](C)n3cccc3)C[C@H]2C)CC1	ZINC000948434117	1002337726	/nfs/dbraw/zinc/33/77/26/1002337726.db2.gz	GVBYWJDIAZZIJO-ZIFCJYIRSA-N	1	0	370.497	1.357	20	30		FDEDRO
C#CCN(C(=O)C(=O)NC[C@@H]1CCOc2ccccc21)C1CC[NH+](C)CC1	ZINC000929891976	1002568395	/nfs/dbraw/zinc/56/83/95/1002568395.db2.gz	XDDMNOBTRKPXTG-INIZCTEOSA-N	1	0	369.465	1.225	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCc3ccccc3C2)CC1	ZINC000930006444	1002728792	/nfs/dbraw/zinc/72/87/92/1002728792.db2.gz	GISWFDQBUOMUBP-LJQANCHMSA-N	1	0	355.482	1.817	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCc3cccnc32)CC1	ZINC000930008853	1002732354	/nfs/dbraw/zinc/73/23/54/1002732354.db2.gz	ANCLYJOOLNWWTO-KRWDZBQOSA-N	1	0	356.470	1.732	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](c2cnn(C)c2)C(C)C)CC1	ZINC000930009582	1002732861	/nfs/dbraw/zinc/73/28/61/1002732861.db2.gz	HXIKNLYLMUTRDA-KRWDZBQOSA-N	1	0	361.490	1.390	20	30		FDEDRO
C#CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1C[C@@H](C)CC(=O)N1	ZINC000948919461	1002818486	/nfs/dbraw/zinc/81/84/86/1002818486.db2.gz	IGXIMQDAPFVYNX-LZQZEXGQSA-N	1	0	353.466	1.640	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)Nc1ccc(OC)c(-n2nnnc2C)c1	ZINC000930116881	1002834708	/nfs/dbraw/zinc/83/47/08/1002834708.db2.gz	AFGCITIKJJRZFK-UHFFFAOYSA-N	1	0	357.418	1.056	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)c3ccc(C#N)[nH]3)CC2)CC[N@@H+]1C	ZINC000949011282	1002929913	/nfs/dbraw/zinc/92/99/13/1002929913.db2.gz	XUMUAHBWGBZLNJ-CZUORRHYSA-N	1	0	357.458	1.195	20	30		FDEDRO
C#CCOc1ccc(NC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1	ZINC000930246493	1002965949	/nfs/dbraw/zinc/96/59/49/1002965949.db2.gz	NAPPNIHHBVARKD-GOSISDBHSA-N	1	0	356.470	1.942	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H]1CCO[C@@H](CC(C)C)C1)C1CC[NH+](C)CC1	ZINC000930266523	1002984253	/nfs/dbraw/zinc/98/42/53/1002984253.db2.gz	XUHLUHBZKHSFNJ-AEFFLSMTSA-N	1	0	363.502	1.252	20	30		FDEDRO
CN(C)c1ccc([C@H](CNC(=O)Nc2nn(C)cc2C#N)[NH+](C)C)cc1	ZINC000930267345	1002985033	/nfs/dbraw/zinc/98/50/33/1002985033.db2.gz	SEVUIGDREXHYDH-INIZCTEOSA-N	1	0	355.446	1.782	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCOC2(CC[NH+](CCOC)CC2)C1	ZINC000949095812	1002985423	/nfs/dbraw/zinc/98/54/23/1002985423.db2.gz	XAEJIWPYLJYYSS-SJORKVTESA-N	1	0	352.475	1.307	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1	ZINC000949178173	1003061620	/nfs/dbraw/zinc/06/16/20/1003061620.db2.gz	UYBGTESBYCHVJW-KSZLIROESA-N	1	0	363.502	1.274	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3cccn3CC)C[C@H]2C)CC1	ZINC000949232294	1003126785	/nfs/dbraw/zinc/12/67/85/1003126785.db2.gz	JHCRYUPLTVQPFS-SJLPKXTDSA-N	1	0	370.497	1.430	20	30		FDEDRO
C#CCN(C(=O)C(=O)NC[C@@H](c1cccnc1)C(C)C)C1CC[NH+](C)CC1	ZINC000930445760	1003141737	/nfs/dbraw/zinc/14/17/37/1003141737.db2.gz	MLIVEJMXGGGJOS-LJQANCHMSA-N	1	0	370.497	1.493	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(O)(Cc3ccccn3)CC2)cc1	ZINC000930983785	1003741194	/nfs/dbraw/zinc/74/11/94/1003741194.db2.gz	UCGCCEXNTCTZGT-IBGZPJMESA-N	1	0	367.449	1.763	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1	ZINC000931082266	1003858860	/nfs/dbraw/zinc/85/88/60/1003858860.db2.gz	PGBGPKWFJUDNDB-ZFWWWQNUSA-N	1	0	364.471	1.930	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[N@@H+]2CCNC(=O)CC23CCOCC3)cc1	ZINC000931538188	1004249140	/nfs/dbraw/zinc/24/91/40/1004249140.db2.gz	QIADYQJNWSQWMO-UHFFFAOYSA-N	1	0	355.438	1.368	20	30		FDEDRO
C=C(C)[C@H](CO)[N@@H+]1C[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C[C@]2(C(=O)OC)C1	ZINC000931949413	1004631562	/nfs/dbraw/zinc/63/15/62/1004631562.db2.gz	BQWHYCMWRTWXJX-YGTYGHESSA-N	1	0	368.474	1.702	20	30		FDEDRO
N#Cc1cccc([C@@H](NC(=O)NCC[NH+]2CCC(O)CC2)C(F)(F)F)c1	ZINC000932235930	1004845083	/nfs/dbraw/zinc/84/50/83/1004845083.db2.gz	WIVVBSVVFYPFDK-OAHLLOKOSA-N	1	0	370.375	1.918	20	30		FDEDRO
CCO[C@H](CNC(=O)C(=O)N(Cc1ccc(C#N)cc1)C(C)C)C[NH+](C)C	ZINC000932471685	1004975975	/nfs/dbraw/zinc/97/59/75/1004975975.db2.gz	IVOGSVVOADZBDW-GOSISDBHSA-N	1	0	374.485	1.378	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1C#N	ZINC000932472607	1004976212	/nfs/dbraw/zinc/97/62/12/1004976212.db2.gz	FWVYPZJGXXHVQH-UHFFFAOYSA-N	1	0	368.481	1.817	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1C#N	ZINC000932474998	1004977912	/nfs/dbraw/zinc/97/79/12/1004977912.db2.gz	KNUHGAUJELJSPS-IBGZPJMESA-N	1	0	368.481	1.960	20	30		FDEDRO
CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2cnc(OC)c(C#N)c2)CC1	ZINC000932518258	1004997946	/nfs/dbraw/zinc/99/79/46/1004997946.db2.gz	YKHUZFSAOVPGCQ-UHFFFAOYSA-N	1	0	360.462	1.499	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2ccc3c(c2)n(C)c(=O)n(C)c3=O)CC1	ZINC000932628951	1005052792	/nfs/dbraw/zinc/05/27/92/1005052792.db2.gz	OBGQTKNAJYSCJW-UHFFFAOYSA-N	1	0	371.441	1.009	20	30		FDEDRO
CC(C)(C)OC(=O)NC[C@@H]1CC2(CO1)CC[NH+](C[C@H](O)CC#N)CC2	ZINC000932678906	1005089332	/nfs/dbraw/zinc/08/93/32/1005089332.db2.gz	SXCTXQYPWAJKHI-CABCVRRESA-N	1	0	353.463	1.657	20	30		FDEDRO
N#CC1(NC(=O)CCN2CCOC2=O)CC[NH+](Cc2ccccc2)CC1	ZINC000778112237	1005091326	/nfs/dbraw/zinc/09/13/26/1005091326.db2.gz	DPTIGNVFRQMZOE-UHFFFAOYSA-N	1	0	356.426	1.503	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C1	ZINC000932725598	1005129329	/nfs/dbraw/zinc/12/93/29/1005129329.db2.gz	GYHXDDUNBGGCPF-HOTGVXAUSA-N	1	0	364.490	1.937	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H](CN(C)C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000966882717	1016941431	/nfs/dbraw/zinc/94/14/31/1016941431.db2.gz	BIFPPMQNZYVGTL-BFYDXBDKSA-N	1	0	371.485	1.537	20	30		FDEDRO
CCN(CCC#N)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)C2	ZINC001111042982	1005216867	/nfs/dbraw/zinc/21/68/67/1005216867.db2.gz	NBTAABJJZRKWOL-WJQMWINMSA-N	1	0	374.485	1.038	20	30		FDEDRO
C#CCOc1cccc(Cl)c1C[NH2+]C1CCN(S(C)(=O)=O)CC1	ZINC000778155867	1005508184	/nfs/dbraw/zinc/50/81/84/1005508184.db2.gz	JXXKUABCUXMAAQ-UHFFFAOYSA-N	1	0	356.875	1.866	20	30		FDEDRO
C=CCN1CC[C@@H]([NH+]2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)C1=O	ZINC000933554952	1005578891	/nfs/dbraw/zinc/57/88/91/1005578891.db2.gz	UDNBNDVAVXWKLO-QGZVFWFLSA-N	1	0	363.483	1.300	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H]2CCOC23CCCCC3)CC1	ZINC000933871205	1005651725	/nfs/dbraw/zinc/65/17/25/1005651725.db2.gz	HCXIMEKJSGKLOM-ZWKOTPCHSA-N	1	0	362.518	1.760	20	30		FDEDRO
N#Cc1cccc(-c2nnc(CN3CC[C@H]4[C@@H]3CCC[N@H+]4CCO)o2)c1	ZINC000934257954	1005723211	/nfs/dbraw/zinc/72/32/11/1005723211.db2.gz	DHSWRFIUNZNLSM-IRXDYDNUSA-N	1	0	353.426	1.639	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C	ZINC000934313850	1005731447	/nfs/dbraw/zinc/73/14/47/1005731447.db2.gz	RYKAEKAWYXZLLI-SFHVURJKSA-N	1	0	358.486	1.672	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[N@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1	ZINC000934436470	1005746349	/nfs/dbraw/zinc/74/63/49/1005746349.db2.gz	ZIJASAXVGFLQFO-HSALFYBXSA-N	1	0	352.434	1.833	20	30		FDEDRO
CN(C)[S@](C)(=O)=NCC1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1	ZINC000934746599	1005790378	/nfs/dbraw/zinc/79/03/78/1005790378.db2.gz	FZZQVEBGSJBXMF-UPCLLVRISA-N	1	0	356.536	1.718	20	30		FDEDRO
COc1cc(C#N)ccc1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1	ZINC000935157620	1005858691	/nfs/dbraw/zinc/85/86/91/1005858691.db2.gz	SYTXCUAWWKZRPG-YJBOKZPZSA-N	1	0	356.470	1.665	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000935302555	1005885718	/nfs/dbraw/zinc/88/57/18/1005885718.db2.gz	GKHQBPZAVPURDY-SFHVURJKSA-N	1	0	370.453	1.281	20	30		FDEDRO
C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(O)CC[N@@H+](C)C1	ZINC000935399242	1005905089	/nfs/dbraw/zinc/90/50/89/1005905089.db2.gz	HKEPXPQYHIXAQX-KBXCAEBGSA-N	1	0	355.479	1.419	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000935631635	1005946470	/nfs/dbraw/zinc/94/64/70/1005946470.db2.gz	IAMFWJVRVVECGR-ZWKOTPCHSA-N	1	0	354.454	1.648	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCOCC	ZINC001111107331	1006082212	/nfs/dbraw/zinc/08/22/12/1006082212.db2.gz	QBLODEAPUKHJRD-TVFCKZIOSA-N	1	0	351.491	1.605	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC1CCC1	ZINC001111106944	1006105150	/nfs/dbraw/zinc/10/51/50/1006105150.db2.gz	BTJLHKQCFRZEKX-YSHGAJCASA-N	1	0	363.502	1.748	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCN(C)S1(=O)=O)C2	ZINC001111129296	1006333609	/nfs/dbraw/zinc/33/36/09/1006333609.db2.gz	JNVOHTZKNMDXQB-WCXIOVBPSA-N	1	0	371.547	1.712	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCC(F)F	ZINC001111129610	1006336367	/nfs/dbraw/zinc/33/63/67/1006336367.db2.gz	YGZHQAMCXYMHGY-NMNMXBMNSA-N	1	0	358.429	1.971	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)n[nH]c1C)C2	ZINC001111157979	1006519547	/nfs/dbraw/zinc/51/95/47/1006519547.db2.gz	YGWWWBURJBJWQG-ZACQAIPSSA-N	1	0	371.485	1.562	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc(NC(C)=O)c1)C2	ZINC001111168337	1006576065	/nfs/dbraw/zinc/57/60/65/1006576065.db2.gz	ODESPYBOUSETSX-ZACQAIPSSA-N	1	0	356.426	1.025	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1	ZINC000954380991	1006652312	/nfs/dbraw/zinc/65/23/12/1006652312.db2.gz	RKWOKTDKESLHJQ-KSZLIROESA-N	1	0	365.518	1.613	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1	ZINC000954394977	1006694402	/nfs/dbraw/zinc/69/44/02/1006694402.db2.gz	WFARCDQDCVVOCP-BZSNNMDCSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1	ZINC000954404899	1006722349	/nfs/dbraw/zinc/72/23/49/1006722349.db2.gz	QUGFNPKACJEPBN-KURKYZTESA-N	1	0	363.502	1.510	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CCCC(=O)N2)C3)cc1	ZINC001095730686	1006782367	/nfs/dbraw/zinc/78/23/67/1006782367.db2.gz	RMZSLWILTGVHQI-YRXWBPOGSA-N	1	0	366.465	1.839	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1	ZINC000954511078	1006831000	/nfs/dbraw/zinc/83/10/00/1006831000.db2.gz	HDGPDMKGBXGFTL-NXHRZFHOSA-N	1	0	363.502	1.510	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1	ZINC000954704985	1006971453	/nfs/dbraw/zinc/97/14/53/1006971453.db2.gz	GQPLSEPIXFRLHV-KSZLIROESA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1	ZINC000954820738	1007040005	/nfs/dbraw/zinc/04/00/05/1007040005.db2.gz	FIKNNVJWBCTMFH-IRXDYDNUSA-N	1	0	361.486	1.265	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1	ZINC000778978557	1007094449	/nfs/dbraw/zinc/09/44/49/1007094449.db2.gz	PXPKDUIYFPPZRE-STQMWFEESA-N	1	0	354.451	1.233	20	30		FDEDRO
C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC000956989900	1007457123	/nfs/dbraw/zinc/45/71/23/1007457123.db2.gz	RKYPLLQUJFNGCQ-CZUORRHYSA-N	1	0	355.442	1.091	20	30		FDEDRO
CCn1cc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)nn1	ZINC001095799196	1007457794	/nfs/dbraw/zinc/45/77/94/1007457794.db2.gz	WFBJRVBTIVDLFM-QYZOEREBSA-N	1	0	364.453	1.634	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CCN(C(=O)C2([NH+](C)C)CCC2)C1	ZINC000957011511	1007516607	/nfs/dbraw/zinc/51/66/07/1007516607.db2.gz	LXIBUSVEPLFJSM-JTDSTZFVSA-N	1	0	363.502	1.559	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@](C)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC000957012392	1007520792	/nfs/dbraw/zinc/52/07/92/1007520792.db2.gz	GLJULLFAUJMRMD-AKCHCHLHSA-N	1	0	354.454	1.124	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3ccsc3)C[C@H]2C)CC1	ZINC000947405537	1007563957	/nfs/dbraw/zinc/56/39/57/1007563957.db2.gz	DJBIIGPUVICVQX-RHSMWYFYSA-N	1	0	359.495	1.670	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@H](OC)C[C@]2(C)CO)c(OC)c1	ZINC000640010385	1007711334	/nfs/dbraw/zinc/71/13/34/1007711334.db2.gz	STMHFUBRTBRHPO-MBOZVWFJSA-N	1	0	365.470	1.635	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)nc1	ZINC000956035509	1007793611	/nfs/dbraw/zinc/79/36/11/1007793611.db2.gz	LIMDMKKTNNXLJT-HYVNUMGLSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1(C)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1	ZINC000956385984	1008077030	/nfs/dbraw/zinc/07/70/30/1008077030.db2.gz	XIFIDBFDJCWNRH-ZACQAIPSSA-N	1	0	365.518	1.805	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000956386004	1008077249	/nfs/dbraw/zinc/07/72/49/1008077249.db2.gz	YKTOLRLNMMWZKJ-ZACQAIPSSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1	ZINC000956501069	1008184342	/nfs/dbraw/zinc/18/43/42/1008184342.db2.gz	NICKIFWFIAJKAU-ZACQAIPSSA-N	1	0	363.502	1.417	20	30		FDEDRO
[NH2+]=C(NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)NC[C@H]1CCCO1	ZINC000303251397	1008763189	/nfs/dbraw/zinc/76/31/89/1008763189.db2.gz	AGIOPFWCSKDFAQ-IAGOWNOFSA-N	1	0	360.458	1.179	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)c1	ZINC000646486027	1008824262	/nfs/dbraw/zinc/82/42/62/1008824262.db2.gz	ZVYIJWJDCSWDBS-CJNGLKHVSA-N	1	0	351.472	1.316	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1	ZINC000305253253	1008941539	/nfs/dbraw/zinc/94/15/39/1008941539.db2.gz	JKMUEMFTYJEQGU-RBSFLKMASA-N	1	0	364.490	1.811	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CCC)C2	ZINC001111312394	1009018620	/nfs/dbraw/zinc/01/86/20/1009018620.db2.gz	FDVBWXHRYMUMPA-KURKYZTESA-N	1	0	362.518	1.250	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C3CC4(CC4)C3)C[C@H]2C)CC1	ZINC000958745461	1009051648	/nfs/dbraw/zinc/05/16/48/1009051648.db2.gz	TYMSMYNNPCJXII-CRAIPNDOSA-N	1	0	357.498	1.485	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2C[C@H]2C2CCC2)CC1	ZINC000950432803	1009167215	/nfs/dbraw/zinc/16/72/15/1009167215.db2.gz	ZTODCKFLXKGRKH-GBESFXJTSA-N	1	0	357.498	1.485	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CC1	ZINC000950432624	1009167280	/nfs/dbraw/zinc/16/72/80/1009167280.db2.gz	VXDUUKHCOFXKQY-LWYYNNOASA-N	1	0	371.525	1.875	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1	ZINC000646955021	1009335307	/nfs/dbraw/zinc/33/53/07/1009335307.db2.gz	JGQAEVVQCBFVFD-GOSISDBHSA-N	1	0	357.454	1.502	20	30		FDEDRO
CC(C)C[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCC(Nc2ccnc(C#N)n2)CC1	ZINC001111321341	1009598139	/nfs/dbraw/zinc/59/81/39/1009598139.db2.gz	IFTXYLYDOKLLTR-NVXWUHKLSA-N	1	0	370.501	1.445	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNS(=O)(=O)CCCC)C2	ZINC001111327827	1009653230	/nfs/dbraw/zinc/65/32/30/1009653230.db2.gz	UWWDMJGRYKPXFV-HZMVEIRTSA-N	1	0	371.547	1.782	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CN(C(C)=O)CCO1)C2	ZINC001111336988	1009994899	/nfs/dbraw/zinc/99/48/99/1009994899.db2.gz	GGWHXQFZEZSVFT-AKHDSKFASA-N	1	0	365.518	1.926	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC000950990101	1010246001	/nfs/dbraw/zinc/24/60/01/1010246001.db2.gz	NMZCKHIZEIKMFF-ZTFGCOKTSA-N	1	0	354.454	1.124	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCCCOCC2CCOCC2)cc1OC	ZINC000304758249	1010477713	/nfs/dbraw/zinc/47/77/13/1010477713.db2.gz	PSWKKXPHCYZRBJ-UHFFFAOYSA-N	1	0	365.474	1.941	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1	ZINC000951132479	1010496902	/nfs/dbraw/zinc/49/69/02/1010496902.db2.gz	SDHQHAJPUPLYTO-ZTFGCOKTSA-N	1	0	371.485	1.583	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000951152004	1010514742	/nfs/dbraw/zinc/51/47/42/1010514742.db2.gz	VUPDGXUGLAJEQV-BRWVUGGUSA-N	1	0	358.486	1.735	20	30		FDEDRO
C#C[C@H](NC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCO1	ZINC000779659955	1010682000	/nfs/dbraw/zinc/68/20/00/1010682000.db2.gz	DPTSBOGWUQEBTL-ZJOUEHCJSA-N	1	0	371.481	1.446	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2nncs2)C1	ZINC000962399913	1011231697	/nfs/dbraw/zinc/23/16/97/1011231697.db2.gz	AFRMAVLVTFANMY-UJJWPFCGSA-N	1	0	350.488	1.894	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC(CNCc2noc(CCC)n2)C1	ZINC000962415088	1011244072	/nfs/dbraw/zinc/24/40/72/1011244072.db2.gz	WTWFIYJKAZFMTM-GULCKSEBSA-N	1	0	362.474	1.988	20	30		FDEDRO
C[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCN1C(=O)[C@H]1CC[C@@H](C(N)=O)C1	ZINC000960876443	1011595440	/nfs/dbraw/zinc/59/54/40/1011595440.db2.gz	MZVZOLNAAUVFIR-CEXWTWQISA-N	1	0	368.481	1.883	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCCN3C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC000962930721	1011686137	/nfs/dbraw/zinc/68/61/37/1011686137.db2.gz	JODXCWHQAMFWQE-LFVTVUPYSA-N	1	0	369.469	1.432	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCCN3C(=O)C#CC2CC2)CC[N@@H+]1C	ZINC000963059642	1011796596	/nfs/dbraw/zinc/79/65/96/1011796596.db2.gz	SZFKSPBCMOSEFU-RDGPPVDQSA-N	1	0	357.498	1.722	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC(N(CC2CC2)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC000952622009	1011883194	/nfs/dbraw/zinc/88/31/94/1011883194.db2.gz	AFOAHAWKVRAJFT-HDMKZQKVSA-N	1	0	360.502	1.716	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](C)C	ZINC000952804740	1012052007	/nfs/dbraw/zinc/05/20/07/1012052007.db2.gz	MRWMENHKQDZFHI-ILOCAZANSA-N	1	0	363.502	1.510	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2	ZINC001111407980	1012193504	/nfs/dbraw/zinc/19/35/04/1012193504.db2.gz	COXZZBBNWHKUFW-KURKYZTESA-N	1	0	362.518	1.228	20	30		FDEDRO
C#CCCCS(=O)(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000718021543	1012353178	/nfs/dbraw/zinc/35/31/78/1012353178.db2.gz	RAZRFRBSNZDMDD-UHFFFAOYSA-N	1	0	364.511	1.736	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)nn3)CC2)CC[N@@H+]1C	ZINC001066799055	1012536133	/nfs/dbraw/zinc/53/61/33/1012536133.db2.gz	YKQHDGPISZDFEL-HYVNUMGLSA-N	1	0	356.474	1.554	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3CN(C(=O)[C@H]4CC[N@H+](C)[C@@H]4CC)C[C@H]3C2)C1	ZINC000961669196	1012722723	/nfs/dbraw/zinc/72/27/23/1012722723.db2.gz	PBKXMRIHWRRKGZ-XWTMOSNGSA-N	1	0	359.514	1.990	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCCN(C(=O)[C@@H]4C[C@H]4CC)[C@@H]3C2)CC1	ZINC000963858329	1012794075	/nfs/dbraw/zinc/79/40/75/1012794075.db2.gz	VWSPLASDHWEGAV-GSEOLPGOSA-N	1	0	371.525	1.827	20	30		FDEDRO
Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H]2[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@H]32)cn1	ZINC000961840992	1012924043	/nfs/dbraw/zinc/92/40/43/1012924043.db2.gz	RDGYOMDHJAMBBW-QGLKVJOYSA-N	1	0	360.461	1.622	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(N(C)C(=O)C[NH+]2CCCC2)CC1	ZINC000953950814	1012937412	/nfs/dbraw/zinc/93/74/12/1012937412.db2.gz	GMHJSYFVQCBRIJ-MSOLQXFVSA-N	1	0	363.502	1.513	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2nnc(C)s2)C1	ZINC000961853893	1012945473	/nfs/dbraw/zinc/94/54/73/1012945473.db2.gz	QTTXUIHQCVLPNQ-CVSAEHQPSA-N	1	0	350.488	1.812	20	30		FDEDRO
C[C@@H](O)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H](C)CO	ZINC000190809703	178024328	/nfs/dbraw/zinc/02/43/28/178024328.db2.gz	YUHDYCCFXBBARB-QWHCGFSZSA-N	1	0	365.499	1.891	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000192382602	178112094	/nfs/dbraw/zinc/11/20/94/178112094.db2.gz	QCFXUZZVMDEJPC-QZTJIDSGSA-N	1	0	369.469	1.443	20	30		FDEDRO
C=CCn1c(-c2ccoc2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000508474368	538933102	/nfs/dbraw/zinc/93/31/02/538933102.db2.gz	TXSOVEGZWJFBLC-UHFFFAOYSA-N	1	0	370.457	1.469	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1	ZINC000195305715	178254828	/nfs/dbraw/zinc/25/48/28/178254828.db2.gz	KYVOMMZFPKAXDQ-PHIMTYICSA-N	1	0	356.245	1.161	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C	ZINC000245516376	178363824	/nfs/dbraw/zinc/36/38/24/178363824.db2.gz	FYCYOVCSSWQKIW-TXPKVOOTSA-N	1	0	356.470	1.441	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1	ZINC000516233166	539024895	/nfs/dbraw/zinc/02/48/95/539024895.db2.gz	XGRQZOMMFXPWRU-CVEARBPZSA-N	1	0	354.454	1.922	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)CC1	ZINC000518510790	539428424	/nfs/dbraw/zinc/42/84/24/539428424.db2.gz	AFDYZBVQYFOWRT-UHFFFAOYSA-N	1	0	359.426	1.302	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N(C3CC3)[C@@H]3CC[NH2+]C3)C2=O)cc1	ZINC000521986666	539525207	/nfs/dbraw/zinc/52/52/07/539525207.db2.gz	MTVGWICFDUAXOF-MSOLQXFVSA-N	1	0	367.453	1.195	20	30		FDEDRO
C=CC[N@@H+](CCCS(=O)(=O)NC)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000523856075	539624691	/nfs/dbraw/zinc/62/46/91/539624691.db2.gz	BBYSZMBIAWZFFS-AWEZNQCLSA-N	1	0	364.475	1.151	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)CN1CCN(Cc2ccccn2)CC1	ZINC000528343468	539750892	/nfs/dbraw/zinc/75/08/92/539750892.db2.gz	BTXVOTKTWJYBPE-LJQANCHMSA-N	1	0	352.438	1.511	20	30		FDEDRO
CN(C(=O)CN1CCC(C)([NH+]2CCOCC2)CC1)C1(C#N)CCCCC1	ZINC000528728416	539779788	/nfs/dbraw/zinc/77/97/88/539779788.db2.gz	AZYCIZITKPOTJN-UHFFFAOYSA-N	1	0	362.518	1.858	20	30		FDEDRO
N#Cc1cccnc1OC1CCC(NC(=O)NC2(C[NH3+])CCOCC2)CC1	ZINC000529325371	539820249	/nfs/dbraw/zinc/82/02/49/539820249.db2.gz	UTTFAKZLTDWEQK-UHFFFAOYSA-N	1	0	373.457	1.450	20	30		FDEDRO
CNC(=O)[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccccc1	ZINC000271710874	180640535	/nfs/dbraw/zinc/64/05/35/180640535.db2.gz	VULCFESRCOIWQM-IFXJQAMLSA-N	1	0	350.422	1.812	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]C1CCN(CC(F)(F)F)CC1	ZINC000530232379	539916261	/nfs/dbraw/zinc/91/62/61/539916261.db2.gz	ZGURAKURQAAVSV-OAHLLOKOSA-N	1	0	357.376	1.914	20	30		FDEDRO
CC(C)OCCN1CCC([NH2+]C[C@@H](O)COc2ccccc2C#N)CC1	ZINC000530230640	539915521	/nfs/dbraw/zinc/91/55/21/539915521.db2.gz	IGUQBPJDDXGBFU-LJQANCHMSA-N	1	0	361.486	1.777	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)NCC[N@H+]3CCC[C@@H](C)C3)CC2)c1C#N	ZINC000530355891	539949851	/nfs/dbraw/zinc/94/98/51/539949851.db2.gz	GBIGFYSHEZFFPH-OAHLLOKOSA-N	1	0	373.505	1.164	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1	ZINC000530582870	540005479	/nfs/dbraw/zinc/00/54/79/540005479.db2.gz	AYEUTDIUHBCDHY-OAQYLSRUSA-N	1	0	365.433	1.690	20	30		FDEDRO
Cn1cc(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000274074064	181021391	/nfs/dbraw/zinc/02/13/91/181021391.db2.gz	VHRDEPPWXVWTFS-SFHVURJKSA-N	1	0	364.453	1.995	20	30		FDEDRO
CC[NH+]1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)CC1	ZINC000530814190	540048200	/nfs/dbraw/zinc/04/82/00/540048200.db2.gz	OVGKMVOLFHRAPM-IBGZPJMESA-N	1	0	355.486	1.033	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@H](C)C2)cc1C#N	ZINC000532531734	540169535	/nfs/dbraw/zinc/16/95/35/540169535.db2.gz	YLXAKGGKOHJMPE-AWEZNQCLSA-N	1	0	358.442	1.742	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2ccc(C#N)cc2F)CC1	ZINC000533091419	540200773	/nfs/dbraw/zinc/20/07/73/540200773.db2.gz	JLTZRIQDVRLZCS-UHFFFAOYSA-N	1	0	355.435	1.211	20	30		FDEDRO
Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]C[C@H](O)COc1ccc(C#N)cc1	ZINC000275211984	181262065	/nfs/dbraw/zinc/26/20/65/181262065.db2.gz	ATDDDBAUZWOCEB-QRFRQXIXSA-N	1	0	370.453	1.768	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)n(CCC#N)n1	ZINC000533320244	540231668	/nfs/dbraw/zinc/23/16/68/540231668.db2.gz	SDMOZOAELKSDMZ-OFQRWUPVSA-N	1	0	374.489	1.526	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(C#N)cc1F	ZINC000533330997	540233588	/nfs/dbraw/zinc/23/35/88/540233588.db2.gz	ZNMUTLVFSDIYMH-VNQPRFMTSA-N	1	0	367.446	1.570	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)COc2ccc(OC)c(C)c2)c1C#N	ZINC000534790973	540412658	/nfs/dbraw/zinc/41/26/58/540412658.db2.gz	ILESRKHXDIJCOL-UHFFFAOYSA-N	1	0	357.414	1.768	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)OCC	ZINC000535153119	540454564	/nfs/dbraw/zinc/45/45/64/540454564.db2.gz	SOOOQRWILJQVJI-HZPDHXFCSA-N	1	0	360.520	1.325	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)n(CCC#N)n1	ZINC000536574656	540619307	/nfs/dbraw/zinc/61/93/07/540619307.db2.gz	QKCHWUHOXCDBJY-UHFFFAOYSA-N	1	0	374.489	1.624	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCCC2CCS(=O)(=O)CC2)CC1	ZINC000536643435	540633046	/nfs/dbraw/zinc/63/30/46/540633046.db2.gz	WSXRLQGSCFQLTH-UHFFFAOYSA-N	1	0	357.520	1.541	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1	ZINC000538556868	540867941	/nfs/dbraw/zinc/86/79/41/540867941.db2.gz	GNMXFNWNACLYTL-FUHWJXTLSA-N	1	0	358.486	1.889	20	30		FDEDRO
C[C@H]1C[N@H+](C)CCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000539452009	540961730	/nfs/dbraw/zinc/96/17/30/540961730.db2.gz	JLJAPZIXZNXXSZ-JKSUJKDBSA-N	1	0	361.515	1.093	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2	ZINC000540456549	541061793	/nfs/dbraw/zinc/06/17/93/541061793.db2.gz	MWSLDVFDHVXUDA-BXUZGUMPSA-N	1	0	360.414	1.459	20	30		FDEDRO
Cc1occc1C(=O)NCC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000541573501	541230894	/nfs/dbraw/zinc/23/08/94/541230894.db2.gz	OMLHSJQHWGYQOJ-UHFFFAOYSA-N	1	0	368.437	1.780	20	30		FDEDRO
N#C[C@H]1CN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CCO1	ZINC000269488302	674109494	/nfs/dbraw/zinc/10/94/94/674109494.db2.gz	YCEXJVXWRIAGOV-KRWDZBQOSA-N	1	0	360.483	1.398	20	30		FDEDRO
Cc1cc(C#N)nc(NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)n1	ZINC000283705552	182255496	/nfs/dbraw/zinc/25/54/96/182255496.db2.gz	DBXNMARHCOVIHX-KRWDZBQOSA-N	1	0	364.453	1.966	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1	ZINC000545294882	541927221	/nfs/dbraw/zinc/92/72/21/541927221.db2.gz	CWCUDLDGUMVUEC-GOEBONIOSA-N	1	0	356.426	1.448	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCCC1	ZINC000545295031	541927388	/nfs/dbraw/zinc/92/73/88/541927388.db2.gz	JBYNUSWOOYQBKP-MRXNPFEDSA-N	1	0	358.442	1.742	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1	ZINC000545294883	541927803	/nfs/dbraw/zinc/92/78/03/541927803.db2.gz	CWCUDLDGUMVUEC-HOCLYGCPSA-N	1	0	356.426	1.448	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000545296618	541928720	/nfs/dbraw/zinc/92/87/20/541928720.db2.gz	NTDJVISPONENEC-ZIAGYGMSSA-N	1	0	374.441	1.121	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccc(C#N)cc1	ZINC000283942639	182324094	/nfs/dbraw/zinc/32/40/94/182324094.db2.gz	FQGJOJYVWWFMPB-SCLBCKFNSA-N	1	0	360.483	1.289	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c1	ZINC000284036532	182345642	/nfs/dbraw/zinc/34/56/42/182345642.db2.gz	PDVINZLIOMOOJT-SFHVURJKSA-N	1	0	354.454	1.651	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1)C[NH+]1CCCCC1	ZINC000284149445	182379481	/nfs/dbraw/zinc/37/94/81/182379481.db2.gz	XECFIPFWVHFNKW-HZPDHXFCSA-N	1	0	356.470	1.974	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)NC3CC[NH+](C4CC4)CC3)CC2)n1	ZINC000545469325	541978492	/nfs/dbraw/zinc/97/84/92/541978492.db2.gz	PFWNDAMNRGDLFK-UHFFFAOYSA-N	1	0	354.458	1.412	20	30		FDEDRO
N#Cc1cccc(NC(=O)CC[NH+]2CCN(c3cccc(C#N)n3)CC2)c1	ZINC000546211152	542125321	/nfs/dbraw/zinc/12/53/21/542125321.db2.gz	ZODRKAISWDSKLN-UHFFFAOYSA-N	1	0	360.421	1.976	20	30		FDEDRO
N#Cc1cccc(N2CC[NH+](C[C@@H](O)COCc3cccs3)CC2)n1	ZINC000546212093	542126620	/nfs/dbraw/zinc/12/66/20/542126620.db2.gz	XFAYBNHWAGKGEI-MRXNPFEDSA-N	1	0	358.467	1.714	20	30		FDEDRO
CCCCNc1cc(N2CCN(c3cc(C#N)ccn3)CC2)nc(N)n1	ZINC000286184142	183008397	/nfs/dbraw/zinc/00/83/97/183008397.db2.gz	QLRRVZUJXHWAQB-UHFFFAOYSA-N	1	0	352.446	1.864	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CC[NH+](C2CCC2)CC1	ZINC000546612369	542182647	/nfs/dbraw/zinc/18/26/47/542182647.db2.gz	ITKFJKFLHXOKNZ-UHFFFAOYSA-N	1	0	365.441	2.149	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)n1	ZINC000286948140	183179541	/nfs/dbraw/zinc/17/95/41/183179541.db2.gz	CTSDFWDMVYQAQD-CYBMUJFWSA-N	1	0	359.459	1.348	20	30		FDEDRO
COC(=O)[C@@](C)(C[NH2+]C[C@@H]1CNc2c(C#N)cnn2C1)c1ccc(F)cc1	ZINC000570570443	549330000	/nfs/dbraw/zinc/33/00/00/549330000.db2.gz	PYBIGZJKHBOOAH-YJYMSZOUSA-N	1	0	371.416	1.656	20	30		FDEDRO
CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2OC)C1	ZINC000546711061	542207211	/nfs/dbraw/zinc/20/72/11/542207211.db2.gz	GAXQMRPZRJIVRN-HNNXBMFYSA-N	1	0	358.442	1.696	20	30		FDEDRO
C[C@H]([NH2+]C(C)(C)CNC(=O)NCCn1cnc(C#N)n1)c1ccccc1	ZINC000287624757	183340350	/nfs/dbraw/zinc/34/03/50/183340350.db2.gz	OUVJBLJTDNRRTF-AWEZNQCLSA-N	1	0	355.446	1.578	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)c2cccc(F)c2C#N)CC1	ZINC000189123313	177909663	/nfs/dbraw/zinc/90/96/63/177909663.db2.gz	JSFQMPRVLWIVKY-UHFFFAOYSA-N	1	0	353.401	1.774	20	30		FDEDRO
C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000185332986	177686769	/nfs/dbraw/zinc/68/67/69/177686769.db2.gz	KTWRRKRMSXBOBN-ZDUSSCGKSA-N	1	0	370.906	1.516	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)C1	ZINC000972074337	781983921	/nfs/dbraw/zinc/98/39/21/781983921.db2.gz	YOFDUBLODWQTAV-CEXWTWQISA-N	1	0	357.498	1.581	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO	ZINC000172342392	258274707	/nfs/dbraw/zinc/27/47/07/258274707.db2.gz	ZUIZIMJNCNHTBM-MRXNPFEDSA-N	1	0	358.442	1.158	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1	ZINC000173146070	258291875	/nfs/dbraw/zinc/29/18/75/258291875.db2.gz	NFKBZCRXXGQKQV-KRWDZBQOSA-N	1	0	372.469	1.737	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cncnc2C)C[C@H]1c1ccccc1	ZINC001211540039	781995817	/nfs/dbraw/zinc/99/58/17/781995817.db2.gz	BLFRKGUWCHRRMC-VQTJNVASSA-N	1	0	364.449	1.633	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@H]2COc3ccccc3O2)c1	ZINC000549111204	542838273	/nfs/dbraw/zinc/83/82/73/542838273.db2.gz	UOGSMACJFUIRSP-HNNXBMFYSA-N	1	0	358.419	1.762	20	30		FDEDRO
C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NCC#Cc2cccc(F)c2)CC1	ZINC000549208015	542852347	/nfs/dbraw/zinc/85/23/47/542852347.db2.gz	QZOJPVHEIMKNFJ-MRXNPFEDSA-N	1	0	361.461	1.911	20	30		FDEDRO
Cc1nc(SCC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c(C#N)c(C)c1C	ZINC000570578736	549333456	/nfs/dbraw/zinc/33/34/56/549333456.db2.gz	RQCKDLCCJODKQJ-MRXNPFEDSA-N	1	0	373.526	1.477	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1	ZINC000549936047	542971742	/nfs/dbraw/zinc/97/17/42/542971742.db2.gz	JPMBBNKLEYJQGD-IAGOWNOFSA-N	1	0	359.518	1.777	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2cscc2C#N)cc1	ZINC000550382731	543086956	/nfs/dbraw/zinc/08/69/56/543086956.db2.gz	WXLSVMBBYNQNPS-UHFFFAOYSA-N	1	0	356.451	1.841	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCOC(C)(C)[C@@H]1C)C(C)C	ZINC000550838157	543184625	/nfs/dbraw/zinc/18/46/25/543184625.db2.gz	BFSNYPFFLXEKDK-IRXDYDNUSA-N	1	0	365.518	1.827	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1C#N	ZINC000551370232	543275501	/nfs/dbraw/zinc/27/55/01/543275501.db2.gz	GRRGAYQLURQLLL-QIIPPGSGSA-N	1	0	354.454	1.994	20	30		FDEDRO
N#Cc1cccc(F)c1CC(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1	ZINC000552133012	543423181	/nfs/dbraw/zinc/42/31/81/543423181.db2.gz	TVLXOMCSVQILNA-ROUUACIJSA-N	1	0	367.424	1.991	20	30		FDEDRO
N#CCCCOc1cccc(C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)c1	ZINC000552245941	543442395	/nfs/dbraw/zinc/44/23/95/543442395.db2.gz	AVZFYYOPIHEYTG-MRXNPFEDSA-N	1	0	351.472	1.870	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1	ZINC000552194631	543435667	/nfs/dbraw/zinc/43/56/67/543435667.db2.gz	KLHHPMIOLABKJS-UHFFFAOYSA-N	1	0	353.532	1.935	20	30		FDEDRO
C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1	ZINC000173382437	258297725	/nfs/dbraw/zinc/29/77/25/258297725.db2.gz	UJWNCOFFOZSXEH-UHFFFAOYSA-N	1	0	354.332	1.726	20	30		FDEDRO
CC[C@@H](CO)[NH+]1CCN([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000072797700	172050085	/nfs/dbraw/zinc/05/00/85/172050085.db2.gz	MVWSMOXQTCVZKN-CJNGLKHVSA-N	1	0	364.877	1.927	20	30		FDEDRO
N#Cc1ccc(CNC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc1	ZINC000089889562	172249258	/nfs/dbraw/zinc/24/92/58/172249258.db2.gz	SVRKUNMBZAAQLP-UXHICEINSA-N	1	0	364.449	1.993	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)n1	ZINC000091238720	172280874	/nfs/dbraw/zinc/28/08/74/172280874.db2.gz	PRZLCVZAHKQBDG-MRXNPFEDSA-N	1	0	372.473	1.751	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN([C@H](C)C(=O)Nc2ccccc2C#N)CC1	ZINC000103492818	172368810	/nfs/dbraw/zinc/36/88/10/172368810.db2.gz	RYUMZTPNYZDUNA-MRXNPFEDSA-N	1	0	371.485	1.371	20	30		FDEDRO
CCOC(=O)c1cnn(C)c1NC(=O)CN(C)Cc1cccc(C#N)c1	ZINC000104098647	172375277	/nfs/dbraw/zinc/37/52/77/172375277.db2.gz	VOHRUSFERGEOOB-UHFFFAOYSA-N	1	0	355.398	1.539	20	30		FDEDRO
CCN(C1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1)S(C)(=O)=O	ZINC000127040248	173062954	/nfs/dbraw/zinc/06/29/54/173062954.db2.gz	TVWQXJPIZOUPCB-KRWDZBQOSA-N	1	0	351.472	1.338	20	30		FDEDRO
CN1C[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCC1=O	ZINC000128620082	173114649	/nfs/dbraw/zinc/11/46/49/173114649.db2.gz	GBWWFALRPDXKAR-SFHVURJKSA-N	1	0	369.469	1.396	20	30		FDEDRO
C[NH+](C)C[C@H]1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000129864263	173152559	/nfs/dbraw/zinc/15/25/59/173152559.db2.gz	SCRCBKTWYJOMIA-MRXNPFEDSA-N	1	0	356.474	1.515	20	30		FDEDRO
COCCC(=O)N1CCC([NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)CC1	ZINC000133305501	173260888	/nfs/dbraw/zinc/26/08/88/173260888.db2.gz	UKRCFBDKTRPXBP-AWEZNQCLSA-N	1	0	358.442	1.502	20	30		FDEDRO
C[C@H](C[S@](C)=O)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000182610028	177528397	/nfs/dbraw/zinc/52/83/97/177528397.db2.gz	JPTKQZCJLLGEPD-SHACYNPGSA-N	1	0	350.488	1.398	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1	ZINC000173754351	258309255	/nfs/dbraw/zinc/30/92/55/258309255.db2.gz	MQYVHRDCZWFAQZ-UHFFFAOYSA-N	1	0	355.442	1.887	20	30		FDEDRO
C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000176557025	258324579	/nfs/dbraw/zinc/32/45/79/258324579.db2.gz	IVBLXOZXKXDAHJ-DLBZAZTESA-N	1	0	356.474	1.658	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1	ZINC000178699235	258332566	/nfs/dbraw/zinc/33/25/66/258332566.db2.gz	PPJBMCHABKCWGI-HNNXBMFYSA-N	1	0	365.499	1.580	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1	ZINC000193206206	258393420	/nfs/dbraw/zinc/39/34/20/258393420.db2.gz	NUGJNNYLRMQQBP-CYBMUJFWSA-N	1	0	370.906	1.516	20	30		FDEDRO
CC[C@@H]1CN([C@H]2CCN(c3sccc3C#N)C2=O)CC[N@@H+]1C[C@@H](C)O	ZINC000246608745	258397355	/nfs/dbraw/zinc/39/73/55/258397355.db2.gz	XYYYPHXJNPPOAP-BMFZPTHFSA-N	1	0	362.499	1.502	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3cc(C#N)cn3C(C)(C)C)[C@@H]2C1	ZINC000279409299	258554014	/nfs/dbraw/zinc/55/40/14/258554014.db2.gz	NNSYZEDJTDKUEF-HUUCEWRRSA-N	1	0	357.458	1.606	20	30		FDEDRO
CC[C@H]1CN(CCNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CCO1	ZINC000553207447	543587704	/nfs/dbraw/zinc/58/77/04/543587704.db2.gz	KUJXYBZUKVJUIX-SJORKVTESA-N	1	0	374.460	1.751	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[C@H](OC)C(F)(F)F)CC1	ZINC000553394777	543625740	/nfs/dbraw/zinc/62/57/40/543625740.db2.gz	VSGZIEKIVKSPNG-ZDUSSCGKSA-N	1	0	365.396	1.227	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@H]2OC(F)F)CC1	ZINC000553394562	543625804	/nfs/dbraw/zinc/62/58/04/543625804.db2.gz	PXYFHJAJDWGJGI-ZIAGYGMSSA-N	1	0	359.417	1.420	20	30		FDEDRO
C=CCn1c([C@H]2COCCO2)nnc1N1CCC(C[NH+]2CCCC2)CC1	ZINC000554630825	543841035	/nfs/dbraw/zinc/84/10/35/543841035.db2.gz	YBSFYQOZEHDYQG-QGZVFWFLSA-N	1	0	361.490	1.864	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CCCN(c3ncccn3)C2)c1	ZINC000554798036	543873336	/nfs/dbraw/zinc/87/33/36/543873336.db2.gz	MUHMJLNTSKFUEK-MRXNPFEDSA-N	1	0	371.466	1.381	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N(C)[C@H]1CCSC1)C(C)C	ZINC000556206614	544117675	/nfs/dbraw/zinc/11/76/75/544117675.db2.gz	MBAOQLQSTPHTSP-HOTGVXAUSA-N	1	0	353.532	1.765	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000557016452	544235418	/nfs/dbraw/zinc/23/54/18/544235418.db2.gz	BEDKFEDMYUAXRP-GJZGRUSLSA-N	1	0	353.532	1.791	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1	ZINC000559441030	544685062	/nfs/dbraw/zinc/68/50/62/544685062.db2.gz	JFSBWDDFQBIHLY-IBGZPJMESA-N	1	0	373.497	1.674	20	30		FDEDRO
C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000288048034	258770995	/nfs/dbraw/zinc/77/09/95/258770995.db2.gz	OTHXZGUQVICBRX-SNVBAGLBSA-N	1	0	367.247	1.716	20	30		FDEDRO
N#Cc1cnn(-c2ccc(C(=O)N3CC[NH+](C4CCC4)CC3)cc2)c1N	ZINC000329268871	259088310	/nfs/dbraw/zinc/08/83/10/259088310.db2.gz	GSRBVCMDIQUQQY-UHFFFAOYSA-N	1	0	350.426	1.636	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)Cc2cc(C#N)ccc2F)C[C@H]1[NH+](C)C	ZINC000330567336	259151051	/nfs/dbraw/zinc/15/10/51/259151051.db2.gz	CREJZLMREWTSGX-HUUCEWRRSA-N	1	0	357.476	1.505	20	30		FDEDRO
CN(C)C(=O)N1CC[N@H+](CCC(=O)Nc2ccccc2C#N)C(C)(C)C1	ZINC000330694002	259158034	/nfs/dbraw/zinc/15/80/34/259158034.db2.gz	IBWWCVDZONNCBT-UHFFFAOYSA-N	1	0	357.458	1.965	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000331301232	259186450	/nfs/dbraw/zinc/18/64/50/259186450.db2.gz	PNPATMJBJBKADO-STQMWFEESA-N	1	0	366.443	1.865	20	30		FDEDRO
N#Cc1cccc(NC(=O)C2CC[NH+](C[C@H]3CCS(=O)(=O)C3)CC2)c1	ZINC000333017886	259299556	/nfs/dbraw/zinc/29/95/56/259299556.db2.gz	HLQJOXRYFSPESB-OAHLLOKOSA-N	1	0	361.467	1.643	20	30		FDEDRO
N#Cc1cnc2ccccc2c1N1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1	ZINC000333679486	259369161	/nfs/dbraw/zinc/36/91/61/259369161.db2.gz	OOXNKGFJMNQHQC-OAHLLOKOSA-N	1	0	350.426	1.300	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(NC(=O)c3ccc[nH]3)CC2)cc1	ZINC000363202855	259551635	/nfs/dbraw/zinc/55/16/35/259551635.db2.gz	YTYGXIPFFBIINX-KRWDZBQOSA-N	1	0	368.437	1.520	20	30		FDEDRO
CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1	ZINC000364391207	259745051	/nfs/dbraw/zinc/74/50/51/259745051.db2.gz	YVQWWLKNTOYWCQ-MOPGFXCFSA-N	1	0	368.481	1.992	20	30		FDEDRO
C[NH+]1CCC(C)(CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1	ZINC000367990917	260120495	/nfs/dbraw/zinc/12/04/95/260120495.db2.gz	SCTOUDTUVFIXFH-UHFFFAOYSA-N	1	0	370.501	1.953	20	30		FDEDRO
CN1CC[C@H](NC(=O)NCCn2cnc(C#N)n2)[C@H]1c1ccc(Cl)cc1	ZINC000368626774	260211762	/nfs/dbraw/zinc/21/17/62/260211762.db2.gz	VLRSKMLBWURCDV-GOEBONIOSA-N	1	0	373.848	1.548	20	30		FDEDRO
N#Cc1cccc(OCC[NH+]2CCC(CC(=O)N3CCOCC3)CC2)c1	ZINC000368803837	260238875	/nfs/dbraw/zinc/23/88/75/260238875.db2.gz	YEWYTBSRUCDXDI-UHFFFAOYSA-N	1	0	357.454	1.898	20	30		FDEDRO
COC(=O)c1cn([C@@H]2CCC[N@H+](CCOc3cccc(C#N)c3)C2)nn1	ZINC000368851620	260248589	/nfs/dbraw/zinc/24/85/89/260248589.db2.gz	AIYRVBKDLIMSCL-OAHLLOKOSA-N	1	0	355.398	1.652	20	30		FDEDRO
N#Cc1cccc(C2([NH2+]C3CCN(CCN4CCOCC4)CC3)CC2)c1	ZINC000370052977	260479403	/nfs/dbraw/zinc/47/94/03/260479403.db2.gz	LBVZJLURXJZMDY-UHFFFAOYSA-N	1	0	354.498	1.934	20	30		FDEDRO
N#Cc1ccc(CCC(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)cc1	ZINC000371767065	260763055	/nfs/dbraw/zinc/76/30/55/260763055.db2.gz	RCPMBYFQCKNWNY-UHFFFAOYSA-N	1	0	357.454	1.177	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1	ZINC000373397638	261007761	/nfs/dbraw/zinc/00/77/61/261007761.db2.gz	FARPTGHWPSRTGV-UHFFFAOYSA-N	1	0	353.430	1.105	20	30		FDEDRO
CC(C)(CNC(=O)N1CCC(n2cnc(C#N)n2)CC1)[NH+]1CCCCC1	ZINC000373457596	261012533	/nfs/dbraw/zinc/01/25/33/261012533.db2.gz	DACUTRBDOFZURC-UHFFFAOYSA-N	1	0	359.478	1.761	20	30		FDEDRO
CNS(=O)(=O)[C@@H]1CCCN(Cc2cccn2Cc2ccccc2C#N)C1	ZINC000373683487	261030782	/nfs/dbraw/zinc/03/07/82/261030782.db2.gz	VZSAAORITXIYJZ-LJQANCHMSA-N	1	0	372.494	1.922	20	30		FDEDRO
CC[N@H+](CCNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1)C1CC1	ZINC000373698624	261032589	/nfs/dbraw/zinc/03/25/89/261032589.db2.gz	URFVPFUZDQQDQO-SFHVURJKSA-N	1	0	354.454	1.650	20	30		FDEDRO
CCc1nc(CN2C[C@@H]3C[NH+](CCOc4ccccc4C#N)C[C@H]3C2)no1	ZINC000373944818	261055781	/nfs/dbraw/zinc/05/57/81/261055781.db2.gz	HUKQKMAWBQRXRY-IRXDYDNUSA-N	1	0	367.453	1.946	20	30		FDEDRO
CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2cnc3ccc(C#N)cn23)C1	ZINC000374223565	261096813	/nfs/dbraw/zinc/09/68/13/261096813.db2.gz	DZSFBSDFHCWBQR-LJQANCHMSA-N	1	0	356.426	1.998	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCCc3cccc(C#N)c3)CC2)C1	ZINC000374277006	261103504	/nfs/dbraw/zinc/10/35/04/261103504.db2.gz	HPTIAEHMVFTDIA-LJQANCHMSA-N	1	0	355.486	1.522	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)cc1	ZINC000375468310	261346542	/nfs/dbraw/zinc/34/65/42/261346542.db2.gz	FJBKOSMBEJFEAW-RLLQIKCJSA-N	1	0	359.470	1.531	20	30		FDEDRO
C[C@@H](CO)[N@@H+]1CCCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1	ZINC000375501366	261356194	/nfs/dbraw/zinc/35/61/94/261356194.db2.gz	LURYUYAAGGUIOT-ZDUSSCGKSA-N	1	0	350.850	1.539	20	30		FDEDRO
C[C@H](CO)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1	ZINC000375505480	261357080	/nfs/dbraw/zinc/35/70/80/261357080.db2.gz	BGLAZOCPQDHYPD-GFCCVEGCSA-N	1	0	364.833	1.065	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1	ZINC000377209552	261743570	/nfs/dbraw/zinc/74/35/70/261743570.db2.gz	RMLBMBBNFGAVBU-INIZCTEOSA-N	1	0	359.478	1.447	20	30		FDEDRO
C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000377336424	261775732	/nfs/dbraw/zinc/77/57/32/261775732.db2.gz	UTZFNNBFQOFSTM-PBHICJAKSA-N	1	0	352.438	1.533	20	30		FDEDRO
COC(=O)C1=C(C)O[C@@H](C[N@@H+]2CCCN(c3ncccc3C#N)CC2)C1	ZINC000378484652	262035998	/nfs/dbraw/zinc/03/59/98/262035998.db2.gz	MCADUIJBOHQYGN-MRXNPFEDSA-N	1	0	356.426	1.701	20	30		FDEDRO
C[C@H](C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)n1cnc(C#N)n1	ZINC000409561623	262127755	/nfs/dbraw/zinc/12/77/55/262127755.db2.gz	HWRGSHOCGVLMGX-CQSZACIVSA-N	1	0	352.442	1.664	20	30		FDEDRO
C[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)n1cnc(C#N)n1	ZINC000409961399	262148075	/nfs/dbraw/zinc/14/80/75/262148075.db2.gz	UQTIQEXNWNORKM-QRTARXTBSA-N	1	0	353.430	1.257	20	30		FDEDRO
CC[C@H]1CN(CCNC(=O)c2ccn(-c3cccc(C#N)c3)n2)CCO1	ZINC000409996238	262150379	/nfs/dbraw/zinc/15/03/79/262150379.db2.gz	FDGINDZUEMTTSP-KRWDZBQOSA-N	1	0	353.426	1.585	20	30		FDEDRO
C[NH+](C)CCCN(C(=O)c1ccc(CC#N)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000270406847	674206260	/nfs/dbraw/zinc/20/62/60/674206260.db2.gz	WQLHMPOPEOCAQW-QGZVFWFLSA-N	1	0	363.483	1.334	20	30		FDEDRO
Cc1ccc(C#N)cc1C(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1	ZINC000934307178	782132429	/nfs/dbraw/zinc/13/24/29/782132429.db2.gz	AGMAPGSIGHGWMB-INIZCTEOSA-N	1	0	363.483	1.448	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1	ZINC000536975362	490629813	/nfs/dbraw/zinc/62/98/13/490629813.db2.gz	ZGBXPQRZBYGTQL-ZDUSSCGKSA-N	1	0	360.462	1.295	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)nn1CCC#N	ZINC000505047945	490817948	/nfs/dbraw/zinc/81/79/48/490817948.db2.gz	KBBUTRGUXWKXLS-HNNXBMFYSA-N	1	0	360.462	1.138	20	30		FDEDRO
COCC[N@H+](C)CCN1C[C@H](Nc2ccc(Cl)c(C#N)n2)CC1=O	ZINC000601177992	491898573	/nfs/dbraw/zinc/89/85/73/491898573.db2.gz	HGUXCFSDYWIZIR-GFCCVEGCSA-N	1	0	351.838	1.198	20	30		FDEDRO
N#Cc1cc(NCCC[N@H+]2CCC[C@H]2C(N)=O)ncc1Br	ZINC000603413675	492032011	/nfs/dbraw/zinc/03/20/11/492032011.db2.gz	PVUUHEPPLYMHEP-LBPRGKRZSA-N	1	0	352.236	1.467	20	30		FDEDRO
N#CCCn1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)n1	ZINC000600011774	492229460	/nfs/dbraw/zinc/22/94/60/492229460.db2.gz	KECDBVNIMYWFCN-HNNXBMFYSA-N	1	0	358.446	1.258	20	30		FDEDRO
C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)Nc2nn(C)cc2C#N)CC1	ZINC000610563137	492252181	/nfs/dbraw/zinc/25/21/81/492252181.db2.gz	SXKQMOORCONQNU-GJZGRUSLSA-N	1	0	359.478	1.314	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)C[NH+]2CCCCC2)c1	ZINC000027746924	519194573	/nfs/dbraw/zinc/19/45/73/519194573.db2.gz	HZAKJVDPWVCSEK-OAHLLOKOSA-N	1	0	365.499	1.755	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2cc(C)on2)CC1	ZINC000043671611	521880855	/nfs/dbraw/zinc/88/08/55/521880855.db2.gz	OCMYMXSBFLMYQO-LBPRGKRZSA-N	1	0	363.418	1.034	20	30		FDEDRO
CCN(CC)C(=O)N1CCC(C(=O)N(CCC#N)CCC[NH+](C)C)CC1	ZINC000069576357	521918220	/nfs/dbraw/zinc/91/82/20/521918220.db2.gz	KRDZZUUYUGPMBE-UHFFFAOYSA-N	1	0	365.522	1.854	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)C(C)C	ZINC000046049476	522213387	/nfs/dbraw/zinc/21/33/87/522213387.db2.gz	BFMPOZQJTMNPSW-FGTMMUONSA-N	1	0	373.497	1.752	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)C1	ZINC000072637231	522341207	/nfs/dbraw/zinc/34/12/07/522341207.db2.gz	OIRHWLLNGDTFNX-SFHVURJKSA-N	1	0	366.469	1.820	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)NCC[N@H+]2CCCC[C@H]2C)c1	ZINC000046857311	522369134	/nfs/dbraw/zinc/36/91/34/522369134.db2.gz	OXNHZFQZSCXMIJ-OAHLLOKOSA-N	1	0	363.483	1.202	20	30		FDEDRO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1	ZINC000072829450	522396959	/nfs/dbraw/zinc/39/69/59/522396959.db2.gz	OZGDPYPAEPFSQA-QKJKXLBDSA-N	1	0	360.502	1.908	20	30		FDEDRO
CCC[NH+]1CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1	ZINC000073573041	522549557	/nfs/dbraw/zinc/54/95/57/522549557.db2.gz	YZBWYUKRMIOLMD-UHFFFAOYSA-N	1	0	354.458	1.705	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)NCc1cc(C#N)ccc1F)[NH+]1CCN(C)CC1	ZINC000073595691	522557790	/nfs/dbraw/zinc/55/77/90/522557790.db2.gz	YJOWCFCFJHLLKF-GOSISDBHSA-N	1	0	361.465	1.769	20	30		FDEDRO
C[NH+]=C(NCc1ccccc1F)NCC1CCN(S(C)(=O)=O)CC1	ZINC000073702060	522589889	/nfs/dbraw/zinc/58/98/89/522589889.db2.gz	OFQLOPQSUPJNDU-UHFFFAOYSA-N	1	0	356.467	1.162	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)cc1	ZINC000073988214	522651275	/nfs/dbraw/zinc/65/12/75/522651275.db2.gz	YTGYLSWACPFSSN-JKSUJKDBSA-N	1	0	363.483	1.460	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1	ZINC000050165313	522894997	/nfs/dbraw/zinc/89/49/97/522894997.db2.gz	BGOBPODPZLGLJF-KGLIPLIRSA-N	1	0	358.442	1.742	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCCC1	ZINC000050172316	522896826	/nfs/dbraw/zinc/89/68/26/522896826.db2.gz	VKGMKCVYSGALFV-MRXNPFEDSA-N	1	0	358.442	1.742	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1	ZINC000050176082	522899226	/nfs/dbraw/zinc/89/92/26/522899226.db2.gz	UWTILAPSHGAQGV-CQSZACIVSA-N	1	0	358.442	1.742	20	30		FDEDRO
Cc1nc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cn1C	ZINC000066100222	522950228	/nfs/dbraw/zinc/95/02/28/522950228.db2.gz	AUQIKXAEFOCASG-UHFFFAOYSA-N	1	0	361.471	1.353	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]Cc1ccccc1CN1CCCC1=O	ZINC000075661670	522952592	/nfs/dbraw/zinc/95/25/92/522952592.db2.gz	KFIHSPKVRVLOBY-AWEZNQCLSA-N	1	0	358.442	1.299	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2sccc2C#N)c1	ZINC000066463914	523066633	/nfs/dbraw/zinc/06/66/33/523066633.db2.gz	DUCFCKAKEZBHFF-UHFFFAOYSA-N	1	0	356.451	1.841	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1	ZINC000052679805	523235920	/nfs/dbraw/zinc/23/59/20/523235920.db2.gz	RNCKCLRDBDMPCB-HNNXBMFYSA-N	1	0	372.469	1.532	20	30		FDEDRO
C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NC2(C#N)CC[NH+](C)CC2)CC1=O	ZINC000077038332	523238951	/nfs/dbraw/zinc/23/89/51/523238951.db2.gz	DQHVYXWEVGFFKG-RDJZCZTQSA-N	1	0	354.454	1.700	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)NCC#Cc2ccccc2)CC1	ZINC000066891941	523246107	/nfs/dbraw/zinc/24/61/07/523246107.db2.gz	KVTQAQCUKBGTHR-UHFFFAOYSA-N	1	0	363.465	1.684	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1	ZINC000077202353	523266112	/nfs/dbraw/zinc/26/61/12/523266112.db2.gz	OXKHZSWLHREQDD-INIZCTEOSA-N	1	0	373.501	1.607	20	30		FDEDRO
CC1(C)NC(=O)N(CCC[N@@H+]2CCCN(c3ccccc3C#N)CC2)C1=O	ZINC000052801482	523273498	/nfs/dbraw/zinc/27/34/98/523273498.db2.gz	WGVGXIVOVVIRGA-UHFFFAOYSA-N	1	0	369.469	1.791	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)CCc3ccc(C#N)cc3)cn2)CC1	ZINC000078486471	523589933	/nfs/dbraw/zinc/58/99/33/523589933.db2.gz	COAHRGIBYQVGNR-UHFFFAOYSA-N	1	0	363.465	1.954	20	30		FDEDRO
CCn1nc2c(cc1=O)C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)CC2	ZINC000078613599	523615889	/nfs/dbraw/zinc/61/58/89/523615889.db2.gz	AEPGPVAJDFVTHS-UHFFFAOYSA-N	1	0	351.410	1.522	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCC[NH+]1CCCCC1	ZINC000054847268	523707589	/nfs/dbraw/zinc/70/75/89/523707589.db2.gz	JRVDKBGYOWPUIL-UHFFFAOYSA-N	1	0	358.442	1.886	20	30		FDEDRO
C[C@H](CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)[N@H+](C)C1CC1	ZINC000068196104	523727366	/nfs/dbraw/zinc/72/73/66/523727366.db2.gz	OTIGYBAWKWWVTJ-CQSZACIVSA-N	1	0	363.483	1.977	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1	ZINC000055242289	523776631	/nfs/dbraw/zinc/77/66/31/523776631.db2.gz	WKKOWBBSJSCODO-IAGOWNOFSA-N	1	0	363.483	1.508	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000055388361	523804873	/nfs/dbraw/zinc/80/48/73/523804873.db2.gz	FBCRDHOXCGJQLH-UHFFFAOYSA-N	1	0	356.386	1.253	20	30		FDEDRO
N#C[C@@H]1COCCN1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1	ZINC000081166556	523947811	/nfs/dbraw/zinc/94/78/11/523947811.db2.gz	HXJVZDIEIJNZFN-QGZVFWFLSA-N	1	0	360.483	1.398	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1	ZINC000081301662	524092768	/nfs/dbraw/zinc/09/27/68/524092768.db2.gz	XZLPYAGNFWFHNI-SFHVURJKSA-N	1	0	354.454	1.483	20	30		FDEDRO
COc1ccc(CNC(=O)CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)cc1	ZINC000083033741	524234983	/nfs/dbraw/zinc/23/49/83/524234983.db2.gz	MFFDNHUJNGNXCZ-QGZVFWFLSA-N	1	0	368.437	1.740	20	30		FDEDRO
CC(C)N(CC(F)(F)F)C(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000121448170	524260703	/nfs/dbraw/zinc/26/07/03/524260703.db2.gz	SOUMUINUUDPSBU-UHFFFAOYSA-N	1	0	360.384	1.527	20	30		FDEDRO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1	ZINC000121725718	524341617	/nfs/dbraw/zinc/34/16/17/524341617.db2.gz	VYDGYDADCFELIF-YLJYHZDGSA-N	1	0	372.513	1.961	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-n3cccn3)cc2)CC1	ZINC000173276052	524360487	/nfs/dbraw/zinc/36/04/87/524360487.db2.gz	VQEJLKKRYCCJJK-UHFFFAOYSA-N	1	0	353.426	1.577	20	30		FDEDRO
CC(C)CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccn(CCC#N)n2)CC1	ZINC000086464914	524399056	/nfs/dbraw/zinc/39/90/56/524399056.db2.gz	BZEFSMSJVWKXMF-UHFFFAOYSA-N	1	0	374.489	1.610	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H](c2cccc(F)c2)N2CCOCC2)CC1	ZINC000173578764	524419268	/nfs/dbraw/zinc/41/92/68/524419268.db2.gz	UUEKHGLFTDSCRS-IBGZPJMESA-N	1	0	361.461	1.966	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1	ZINC000122018605	524433278	/nfs/dbraw/zinc/43/32/78/524433278.db2.gz	VAPZXFBHHUIZPG-FUHWJXTLSA-N	1	0	371.481	1.972	20	30		FDEDRO
C[C@@H](Cn1cncn1)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000158286608	524440107	/nfs/dbraw/zinc/44/01/07/524440107.db2.gz	FSCBWKIZTBLMCG-HNNXBMFYSA-N	1	0	355.446	1.312	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	ZINC000122091173	524448968	/nfs/dbraw/zinc/44/89/68/524448968.db2.gz	FVUIBVPDGKBNIL-UHFFFAOYSA-N	1	0	361.833	1.844	20	30		FDEDRO
Cc1nc(CCNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)cs1	ZINC000089120284	524477488	/nfs/dbraw/zinc/47/74/88/524477488.db2.gz	BFTLOMQVXSOPPY-AWEZNQCLSA-N	1	0	365.503	1.875	20	30		FDEDRO
CC[NH+]=C(NC[C@@H](O)c1ccccc1F)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158641590	524504144	/nfs/dbraw/zinc/50/41/44/524504144.db2.gz	RGXVQRWEIYLLTG-OAHLLOKOSA-N	1	0	371.478	1.334	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1	ZINC000122332027	524512387	/nfs/dbraw/zinc/51/23/87/524512387.db2.gz	HNHJVAUTQXDSGV-UKRRQHHQSA-N	1	0	372.473	1.391	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(-n3cccn3)cc2)c1C#N	ZINC000089676685	524519901	/nfs/dbraw/zinc/51/99/01/524519901.db2.gz	COCJDBDBRWTLCN-UHFFFAOYSA-N	1	0	363.425	1.800	20	30		FDEDRO
N#CCOc1cccc(CC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1	ZINC000089825634	524531858	/nfs/dbraw/zinc/53/18/58/524531858.db2.gz	YXCGNCWGSHYOJY-SFHVURJKSA-N	1	0	357.454	1.702	20	30		FDEDRO
CC[N@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(OC)cc2)CC1)C1CC1	ZINC000151272274	524546415	/nfs/dbraw/zinc/54/64/15/524546415.db2.gz	GGHXIMDNUQWSLO-IBGZPJMESA-N	1	0	356.470	1.888	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)CN(C)CCN1C(=O)c2ccccc2C1=O	ZINC000158900752	524548995	/nfs/dbraw/zinc/54/89/95/524548995.db2.gz	SSOFJRRRZHZLLL-IBGZPJMESA-N	1	0	356.426	1.269	20	30		FDEDRO
C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000089942839	524553338	/nfs/dbraw/zinc/55/33/38/524553338.db2.gz	QGBZBBWUWMGUCI-LBPRGKRZSA-N	1	0	372.498	1.763	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@H](O)COc1ccc(Cl)cc1	ZINC000089942537	524554714	/nfs/dbraw/zinc/55/47/14/524554714.db2.gz	DYLCSBPFKHWVNQ-ZDUSSCGKSA-N	1	0	363.849	1.821	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)NCC1(c2ccccc2)CC1	ZINC000089943185	524557523	/nfs/dbraw/zinc/55/75/23/524557523.db2.gz	PFEADNVOPSGUMP-UHFFFAOYSA-N	1	0	366.469	1.576	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1	ZINC000159100419	524594068	/nfs/dbraw/zinc/59/40/68/524594068.db2.gz	KQNIOSPFQIYYCP-RTBURBONSA-N	1	0	370.497	1.985	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1	ZINC000112927090	524603171	/nfs/dbraw/zinc/60/31/71/524603171.db2.gz	RGTINFDVDPUJIA-UHFFFAOYSA-N	1	0	359.470	1.781	20	30		FDEDRO
CS(=O)(=O)Nc1ccc(OCCNC(=[NH2+])NC2CCCCC2)cc1	ZINC000090989679	524618240	/nfs/dbraw/zinc/61/82/40/524618240.db2.gz	DQYMRKOIBCREHF-UHFFFAOYSA-N	1	0	354.476	1.674	20	30		FDEDRO
CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	ZINC000151728903	524666485	/nfs/dbraw/zinc/66/64/85/524666485.db2.gz	FUJKZJLNZYGTKS-CQSZACIVSA-N	1	0	366.849	1.623	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(N)=O)cc2F)CC1	ZINC000091221538	524667329	/nfs/dbraw/zinc/66/73/29/524667329.db2.gz	AYIFTGQXLPXKMZ-UHFFFAOYSA-N	1	0	362.405	1.020	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CN(C)CCO1)N(C)Cc1cc(Br)cn1C	ZINC000159470122	524678456	/nfs/dbraw/zinc/67/84/56/524678456.db2.gz	BADIRIXFOSMUOR-CQSZACIVSA-N	1	0	372.311	1.125	20	30		FDEDRO
C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)N1CCSCC1	ZINC000151804051	524688794	/nfs/dbraw/zinc/68/87/94/524688794.db2.gz	SKQGXQLTTKMWIN-MRXNPFEDSA-N	1	0	360.527	1.886	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000123150917	524690504	/nfs/dbraw/zinc/69/05/04/524690504.db2.gz	WMJWYEPFKZYELD-GJZGRUSLSA-N	1	0	369.473	1.053	20	30		FDEDRO
C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C[C@H]1CCC[C@@H]1O	ZINC000159571672	524699971	/nfs/dbraw/zinc/69/99/71/524699971.db2.gz	DJRQXQXQQRLRQA-PBHICJAKSA-N	1	0	353.426	1.775	20	30		FDEDRO
C#CCNC(=O)c1ccc(N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)nc1	ZINC000091478145	524713017	/nfs/dbraw/zinc/71/30/17/524713017.db2.gz	PDJVYZVHBHCLBC-IAGOWNOFSA-N	1	0	370.497	1.770	20	30		FDEDRO
CC[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000091580123	524731120	/nfs/dbraw/zinc/73/11/20/524731120.db2.gz	BWSLZQIUKQQKLK-BZSNNMDCSA-N	1	0	350.507	1.304	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)C2CCC(CO)CC2)CC1	ZINC000091631710	524747845	/nfs/dbraw/zinc/74/78/45/524747845.db2.gz	WWALWZGIHZISEP-DAWZGUTISA-N	1	0	350.507	1.162	20	30		FDEDRO
C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)CC1(O)CCCC1	ZINC000152043843	524764916	/nfs/dbraw/zinc/76/49/16/524764916.db2.gz	MTAPIFGASOVMPG-UHFFFAOYSA-N	1	0	353.426	1.919	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+]CCNC(=O)Cc3cccc(F)c3)n2c1	ZINC000123528906	524770802	/nfs/dbraw/zinc/77/08/02/524770802.db2.gz	QNRYXQCZBDOBKV-UHFFFAOYSA-N	1	0	351.385	1.794	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1	ZINC000174883561	524778148	/nfs/dbraw/zinc/77/81/48/524778148.db2.gz	CVSDWIKBUFOWLL-XLIONFOSSA-N	1	0	369.513	1.987	20	30		FDEDRO
CN1CC[NH+]([C@H]2CCCCN(CC(=O)Nc3cccc(C#N)c3)C2)CC1	ZINC000174891622	524779763	/nfs/dbraw/zinc/77/97/63/524779763.db2.gz	LDVWFUWJPSMICN-IBGZPJMESA-N	1	0	355.486	1.599	20	30		FDEDRO
C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC	ZINC000174894272	524784222	/nfs/dbraw/zinc/78/42/22/524784222.db2.gz	ZMLMEVVSKDYXDE-OAHLLOKOSA-N	1	0	374.485	1.856	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1	ZINC000174969897	524817190	/nfs/dbraw/zinc/81/71/90/524817190.db2.gz	NCFRPFMFRNXRBG-OAHLLOKOSA-N	1	0	373.428	1.721	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1	ZINC000114583491	524833359	/nfs/dbraw/zinc/83/33/59/524833359.db2.gz	NIYULRHJMSQQOY-IBGZPJMESA-N	1	0	355.486	1.890	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1C#N	ZINC000160242103	524839648	/nfs/dbraw/zinc/83/96/48/524839648.db2.gz	WEFOFLRHXYUWQQ-CQSZACIVSA-N	1	0	370.453	1.884	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1	ZINC000092803527	524916450	/nfs/dbraw/zinc/91/64/50/524916450.db2.gz	YVSJSMIZPJDVIT-INIZCTEOSA-N	1	0	361.421	1.784	20	30		FDEDRO
CCc1nn(C)c(OC)c1CNC(=[NH2+])NCc1ccc(OC)c(OC)c1	ZINC000092854362	524925033	/nfs/dbraw/zinc/92/50/33/524925033.db2.gz	GDJHHCDMTOIMSY-UHFFFAOYSA-N	1	0	361.446	1.613	20	30		FDEDRO
COCC[N@H+](C)CCOc1cccc(CNC(=O)c2ccc(C#N)nc2)c1	ZINC000115360937	524975268	/nfs/dbraw/zinc/97/52/68/524975268.db2.gz	OVOBJNTVUHPILF-UHFFFAOYSA-N	1	0	368.437	1.840	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1	ZINC000124465188	524995417	/nfs/dbraw/zinc/99/54/17/524995417.db2.gz	HNQUTVFHRKYRCE-OAHLLOKOSA-N	1	0	355.438	1.318	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(c2ccc(C#N)cn2)CC1)C(C)(C)C[NH+](C)C	ZINC000176022201	525043909	/nfs/dbraw/zinc/04/39/09/525043909.db2.gz	GRQDTMAUQZYHSO-HNNXBMFYSA-N	1	0	358.490	1.761	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)c3c(F)cc(C#N)cc3F)cn2)CC1	ZINC000152938832	525054311	/nfs/dbraw/zinc/05/43/11/525054311.db2.gz	UXNVFHHANYZZSD-UHFFFAOYSA-N	1	0	371.391	1.913	20	30		FDEDRO
C[N@H+](CCNC(=O)C(=O)Nc1cccc(C#N)c1)Cc1ccc(F)cc1	ZINC000176333014	525082576	/nfs/dbraw/zinc/08/25/76/525082576.db2.gz	PGYJLVOHZUXJBM-UHFFFAOYSA-N	1	0	354.385	1.884	20	30		FDEDRO
CC[NH+](CC)CCN(C(=O)c1sccc1C#N)[C@H]1CCS(=O)(=O)C1	ZINC000161473410	525115724	/nfs/dbraw/zinc/11/57/24/525115724.db2.gz	NBDKHMFZCISXJV-AWEZNQCLSA-N	1	0	369.512	1.591	20	30		FDEDRO
CC[NH+]=C(NCc1nccs1)N1CCN(c2nc(CC)ns2)CC1	ZINC000153157421	525125123	/nfs/dbraw/zinc/12/51/23/525125123.db2.gz	ZKUFRDIUXLSIMX-UHFFFAOYSA-N	1	0	365.532	1.845	20	30		FDEDRO
N#CCCn1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)n1	ZINC000125101887	525142244	/nfs/dbraw/zinc/14/22/44/525142244.db2.gz	AYCMKGZCVQMPCG-OAHLLOKOSA-N	1	0	358.446	1.212	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1	ZINC000161678724	525151433	/nfs/dbraw/zinc/15/14/33/525151433.db2.gz	BMUMTUUYTHSPJE-MRXNPFEDSA-N	1	0	351.472	1.238	20	30		FDEDRO
CC[NH+]=C(NC[C@H](O)c1ccc(C)cc1)N[C@@H]1CCc2nc(C)nn2C1	ZINC000153381616	525196252	/nfs/dbraw/zinc/19/62/52/525196252.db2.gz	ZGFRRLLUGXJXPE-SJORKVTESA-N	1	0	356.474	1.498	20	30		FDEDRO
CCOc1ccccc1NC(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000125460001	525203422	/nfs/dbraw/zinc/20/34/22/525203422.db2.gz	JKYOBWLMTXKJBZ-UHFFFAOYSA-N	1	0	356.430	1.765	20	30		FDEDRO
Cn1ncc2c1nc(N1CCC[N@H+](Cc3ccc(C#N)cc3)CC1)[nH]c2=O	ZINC000116791805	525219819	/nfs/dbraw/zinc/21/98/19/525219819.db2.gz	BRGHEBMUMYCUIG-UHFFFAOYSA-N	1	0	363.425	1.241	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@]2(C#N)CCC[C@H](C)C2)CC1=O	ZINC000116801119	525225109	/nfs/dbraw/zinc/22/51/09/525225109.db2.gz	JONOVRVELKEZKI-TVKQPGBESA-N	1	0	360.502	1.908	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCn1ccccc1=O	ZINC000125797709	525237464	/nfs/dbraw/zinc/23/74/64/525237464.db2.gz	ZXHBGQVZZCZNMR-UHFFFAOYSA-N	1	0	352.438	1.700	20	30		FDEDRO
C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(C)(C)C[NH+](C)C	ZINC000126061930	525269896	/nfs/dbraw/zinc/26/98/96/525269896.db2.gz	QWQVUTCPZURWBY-NSHDSACASA-N	1	0	354.432	1.721	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1	ZINC000126241688	525289190	/nfs/dbraw/zinc/28/91/90/525289190.db2.gz	RYZXOFSTPWGOKW-YOEHRIQHSA-N	1	0	363.483	1.010	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21	ZINC000117244003	525290870	/nfs/dbraw/zinc/29/08/70/525290870.db2.gz	HAPRSQAJQNTLIK-UHFFFAOYSA-N	1	0	371.397	1.744	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)N2CC[NH+](C3CCOCC3)CC2)cc1	ZINC000177471648	525297366	/nfs/dbraw/zinc/29/73/66/525297366.db2.gz	LFGQNTPBKZZGOO-UHFFFAOYSA-N	1	0	358.442	1.595	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C[NH3+])CCCC)ccc1F	ZINC000162732594	525306993	/nfs/dbraw/zinc/30/69/93/525306993.db2.gz	ADRZDQOKBSCXGF-CYBMUJFWSA-N	1	0	357.451	1.537	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nn1C	ZINC000126457112	525314149	/nfs/dbraw/zinc/31/41/49/525314149.db2.gz	OHMMPPJZUQPPFD-UHFFFAOYSA-N	1	0	368.441	1.129	20	30		FDEDRO
CN(CC[NH+]1CCCC1)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000103120223	525324960	/nfs/dbraw/zinc/32/49/60/525324960.db2.gz	VXUNWZZEFDHMOO-UHFFFAOYSA-N	1	0	364.471	1.046	20	30		FDEDRO
C[NH+]=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)NC1CC1	ZINC000103338510	525348193	/nfs/dbraw/zinc/34/81/93/525348193.db2.gz	XXHMCGQBXGNWEI-UHFFFAOYSA-N	1	0	350.488	1.415	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)CC1	ZINC000177829523	525351584	/nfs/dbraw/zinc/35/15/84/525351584.db2.gz	SLRAYZAOFYCRQW-IBGZPJMESA-N	1	0	356.426	1.121	20	30		FDEDRO
CCn1c2ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cc2[nH]c(=O)c1=O	ZINC000104326678	525404895	/nfs/dbraw/zinc/40/48/95/525404895.db2.gz	YRYZFYAKAXFLHH-UHFFFAOYSA-N	1	0	371.441	1.017	20	30		FDEDRO
C#CCCN1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1	ZINC000127338891	525411037	/nfs/dbraw/zinc/41/10/37/525411037.db2.gz	MCWUSVCJONAXPH-UHFFFAOYSA-N	1	0	350.806	1.828	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(c2ncccc2C#N)CC1)C[NH+]1CCCCC1	ZINC000127449250	525423548	/nfs/dbraw/zinc/42/35/48/525423548.db2.gz	GSFKFAKCYBCMIH-KRWDZBQOSA-N	1	0	370.501	1.907	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(c2ncccc2C#N)CC1)C[NH+]1CCCCC1	ZINC000127449469	525423675	/nfs/dbraw/zinc/42/36/75/525423675.db2.gz	GSFKFAKCYBCMIH-QGZVFWFLSA-N	1	0	370.501	1.907	20	30		FDEDRO
CC1CC[NH+](Cc2ccccc2CNC(=O)Cn2cnc(C#N)n2)CC1	ZINC000178413353	525424729	/nfs/dbraw/zinc/42/47/29/525424729.db2.gz	GYGLYKGCSXZUAX-UHFFFAOYSA-N	1	0	352.442	1.698	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1	ZINC000178510157	525441753	/nfs/dbraw/zinc/44/17/53/525441753.db2.gz	ZZTXKVQIWXJASV-UHFFFAOYSA-N	1	0	372.469	1.811	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cc(S(N)(=O)=O)cc(C)c2C)CC1	ZINC000178541170	525443582	/nfs/dbraw/zinc/44/35/82/525443582.db2.gz	RENPDURJBLCLDF-UHFFFAOYSA-N	1	0	351.472	1.331	20	30		FDEDRO
CN(Cc1ccco1)Cc1ccccc1CNC(=O)Cn1cnc(C#N)n1	ZINC000178611011	525450344	/nfs/dbraw/zinc/45/03/44/525450344.db2.gz	SPDYUBHCYBYGQU-UHFFFAOYSA-N	1	0	364.409	1.691	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(c2cc[nH+]cc2)CC1	ZINC000154196509	525454329	/nfs/dbraw/zinc/45/43/29/525454329.db2.gz	NAUMAEQAIKEDJA-UHFFFAOYSA-N	1	0	373.394	1.372	20	30		FDEDRO
NC(CCN1CC[NH+](Cc2ccccc2)CC1)=NOCC(=O)NCC1CC1	ZINC000154335883	525498025	/nfs/dbraw/zinc/49/80/25/525498025.db2.gz	NWSNPZUUGIXCFN-UHFFFAOYSA-N	1	0	373.501	1.009	20	30		FDEDRO
C[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)Cn1c(=O)onc1-c1ccccc1	ZINC000105340986	525502214	/nfs/dbraw/zinc/50/22/14/525502214.db2.gz	RPXBGGMOVVGCGU-SFHVURJKSA-N	1	0	364.405	1.868	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCCc2cccc(C(=O)NC)c2)CC1	ZINC000128124597	525505430	/nfs/dbraw/zinc/50/54/30/525505430.db2.gz	BVOYXUKXLLOULS-UHFFFAOYSA-N	1	0	358.486	1.928	20	30		FDEDRO
N#CC1(c2ccccc2)CC([NH2+]CCNS(=O)(=O)c2cccnc2)C1	ZINC000128125584	525506342	/nfs/dbraw/zinc/50/63/42/525506342.db2.gz	DJWASEKDUBYJNC-UHFFFAOYSA-N	1	0	356.451	1.573	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(=O)[nH]c3ccccc32)c1C#N	ZINC000128218026	525516732	/nfs/dbraw/zinc/51/67/32/525516732.db2.gz	BNCDMQUZYUIPLB-UHFFFAOYSA-N	1	0	350.382	1.939	20	30		FDEDRO
CC[C@H](CC#N)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1	ZINC000128402519	525538687	/nfs/dbraw/zinc/53/86/87/525538687.db2.gz	LJXSSNAOSHALIX-OAHLLOKOSA-N	1	0	360.483	1.982	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CCn2c3ccccc3n(C)c2=O)CC1	ZINC000106037552	525553061	/nfs/dbraw/zinc/55/30/61/525553061.db2.gz	AXZYHSWKPNMALD-UHFFFAOYSA-N	1	0	356.470	1.887	20	30		FDEDRO
C[C@H](CN1CCN(c2ccccc2)CC1)NS(=O)(=O)CC1(C#N)CC1	ZINC000165657514	525557770	/nfs/dbraw/zinc/55/77/70/525557770.db2.gz	FOKPDOSWGSCGIP-MRXNPFEDSA-N	1	0	362.499	1.420	20	30		FDEDRO
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000154527857	525561169	/nfs/dbraw/zinc/56/11/69/525561169.db2.gz	GZFQTYRMRSDZHF-QZTJIDSGSA-N	1	0	369.513	1.987	20	30		FDEDRO
C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NS(=O)(=O)N(C)CCC#N	ZINC000128608577	525561967	/nfs/dbraw/zinc/56/19/67/525561967.db2.gz	MDFDLFNZDUIHSN-HZPDHXFCSA-N	1	0	364.515	1.823	20	30		FDEDRO
CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1	ZINC000154543440	525567873	/nfs/dbraw/zinc/56/78/73/525567873.db2.gz	FXXVBGSKVUIPGW-OAHLLOKOSA-N	1	0	363.483	1.836	20	30		FDEDRO
C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C[C@H]1CCCN1c1cccnn1	ZINC000106087351	525569539	/nfs/dbraw/zinc/56/95/39/525569539.db2.gz	STKHLLPCYNFKBH-MSOLQXFVSA-N	1	0	367.453	1.689	20	30		FDEDRO
CC[C@@H]1CN([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC[N@@H+]1C[C@@H](C)O	ZINC000106103040	525587956	/nfs/dbraw/zinc/58/79/56/525587956.db2.gz	XXICDKXLFYEHAR-IXDOHACOSA-N	1	0	350.507	1.495	20	30		FDEDRO
C[C@]1(O)CCC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1	ZINC000179660972	525611542	/nfs/dbraw/zinc/61/15/42/525611542.db2.gz	IIKUNELTJVHJRB-YJBOKZPZSA-N	1	0	362.499	1.304	20	30		FDEDRO
COc1cc([C@H](C)[NH2+]CC(=O)NCC#N)ccc1OCc1ccncc1	ZINC000179703957	525619740	/nfs/dbraw/zinc/61/97/40/525619740.db2.gz	FXDVORNXOAETHI-AWEZNQCLSA-N	1	0	354.410	1.960	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)n1	ZINC000179720240	525621434	/nfs/dbraw/zinc/62/14/34/525621434.db2.gz	FSSNGLVKBYDPQF-AWEZNQCLSA-N	1	0	362.478	1.757	20	30		FDEDRO
C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1	ZINC000179760671	525627569	/nfs/dbraw/zinc/62/75/69/525627569.db2.gz	JGYDFCCJFNYIMK-UHFFFAOYSA-N	1	0	358.442	1.029	20	30		FDEDRO
C=CCc1cc(CN2CCC[N@H+](CC(=O)N(C)C)CC2)cc(OC)c1O	ZINC000129367170	525647162	/nfs/dbraw/zinc/64/71/62/525647162.db2.gz	PBGKEVUSSPGSRJ-UHFFFAOYSA-N	1	0	361.486	1.725	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)Nc1ccnn1C1CC[NH+](CC)CC1	ZINC000180058341	525657032	/nfs/dbraw/zinc/65/70/32/525657032.db2.gz	VMOLONFEILIOIA-UHFFFAOYSA-N	1	0	365.503	1.514	20	30		FDEDRO
C[C@H]1C[NH+](Cc2ccc(CNC(=O)N3CCO[C@H](C#N)C3)cc2)C[C@H](C)O1	ZINC000106330801	525692163	/nfs/dbraw/zinc/69/21/63/525692163.db2.gz	GWVVJDGVBHINSJ-TXPKVOOTSA-N	1	0	372.469	1.730	20	30		FDEDRO
[NH2+]=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccccn1	ZINC000170907411	525765780	/nfs/dbraw/zinc/76/57/80/525765780.db2.gz	UZVIWRWEBBGUGQ-UHFFFAOYSA-N	1	0	359.455	1.793	20	30		FDEDRO
N#Cc1ccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)nc1	ZINC000180865872	525768329	/nfs/dbraw/zinc/76/83/29/525768329.db2.gz	MTEQNWCEEJVTSR-SFHVURJKSA-N	1	0	350.422	1.840	20	30		FDEDRO
CC[NH+]=C(NCCc1ccncc1C)N1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000130736793	525789685	/nfs/dbraw/zinc/78/96/85/525789685.db2.gz	OLAFPACIMKTFKA-GOSISDBHSA-N	1	0	373.501	1.221	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1	ZINC000181018367	525790082	/nfs/dbraw/zinc/79/00/82/525790082.db2.gz	LBHGAZHSEWYDQO-CYBMUJFWSA-N	1	0	352.460	1.007	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1	ZINC000181028409	525793920	/nfs/dbraw/zinc/79/39/20/525793920.db2.gz	IUBZGFURZRCQLR-ZIAGYGMSSA-N	1	0	366.487	1.253	20	30		FDEDRO
N#Cc1cccc(OCCCN2CCN(CC(=O)N3CCCC3)CC2)c1	ZINC000155399546	525852108	/nfs/dbraw/zinc/85/21/08/525852108.db2.gz	LWJIBKWWJHLHJL-UHFFFAOYSA-N	1	0	356.470	1.567	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)CC1	ZINC000181649664	525885798	/nfs/dbraw/zinc/88/57/98/525885798.db2.gz	SMLVZFKMXCDLIL-CQSZACIVSA-N	1	0	358.442	1.905	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1	ZINC000181665953	525887511	/nfs/dbraw/zinc/88/75/11/525887511.db2.gz	RWRVBTDMVHZJOH-GJZGRUSLSA-N	1	0	358.442	1.764	20	30		FDEDRO
N#Cc1cccc(OCC[NH+]2CCC(NC(=O)C3CCOCC3)CC2)c1	ZINC000107686212	525907705	/nfs/dbraw/zinc/90/77/05/525907705.db2.gz	YUCNFAKJRPXQAC-UHFFFAOYSA-N	1	0	357.454	1.944	20	30		FDEDRO
C[NH+]=C(NCc1c(C)nn(C)c1C)N1CCN(Cc2cc(C)on2)CC1	ZINC000119955353	525919280	/nfs/dbraw/zinc/91/92/80/525919280.db2.gz	DAGOJIRRDQRWAZ-UHFFFAOYSA-N	1	0	359.478	1.227	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[N@@H+](C2CC2)CC1	ZINC000181764155	525922733	/nfs/dbraw/zinc/92/27/33/525922733.db2.gz	POSISOQVFRHFNI-AWEZNQCLSA-N	1	0	356.426	1.613	20	30		FDEDRO
CN1CC[NH+](CCCCNC(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1	ZINC000132393647	525961590	/nfs/dbraw/zinc/96/15/90/525961590.db2.gz	MWSMCDWUWGWIKH-UHFFFAOYSA-N	1	0	358.486	1.859	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000181868410	525964050	/nfs/dbraw/zinc/96/40/50/525964050.db2.gz	HAGOPKBWMFZUNN-CVEARBPZSA-N	1	0	370.453	1.860	20	30		FDEDRO
CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)c1	ZINC000181935098	525988712	/nfs/dbraw/zinc/98/87/12/525988712.db2.gz	VDJKLBYMXLDMSX-QWHCGFSZSA-N	1	0	352.460	1.006	20	30		FDEDRO
N#Cc1ccc(NC(=O)C[NH2+][C@@H](CC(N)=O)C2CCOCC2)cc1Cl	ZINC000181947200	525994071	/nfs/dbraw/zinc/99/40/71/525994071.db2.gz	ASTMLLPSJWCACU-HNNXBMFYSA-N	1	0	364.833	1.410	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1	ZINC000108589342	525994498	/nfs/dbraw/zinc/99/44/98/525994498.db2.gz	GPGVTDKNPCGMBB-INIZCTEOSA-N	1	0	359.449	1.871	20	30		FDEDRO
C=CC[N@@H+](CCc1ccccc1)CCn1cnc2c1c(=O)n(C)c(=O)n2C	ZINC000182101108	526056041	/nfs/dbraw/zinc/05/60/41/526056041.db2.gz	PQMKWDAKUUMJQL-UHFFFAOYSA-N	1	0	367.453	1.164	20	30		FDEDRO
N#Cc1cc(CN(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)ccc1F	ZINC000120476844	526078258	/nfs/dbraw/zinc/07/82/58/526078258.db2.gz	HXXZGOFDAXCIBQ-CVEARBPZSA-N	1	0	352.431	1.865	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)CC1	ZINC000182287003	526122798	/nfs/dbraw/zinc/12/27/98/526122798.db2.gz	IJHBNBAAJGRGJO-DOTOQJQBSA-N	1	0	372.469	1.758	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NCc1ccc(S(=O)(=O)NCC(C)C)cc1	ZINC000134240094	526137165	/nfs/dbraw/zinc/13/71/65/526137165.db2.gz	VBPOOXKMRTYSHB-CYBMUJFWSA-N	1	0	356.492	1.060	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CNc2ccccc2O[C@@H](C)C#N)C1	ZINC000182589755	535829227	/nfs/dbraw/zinc/82/92/27/535829227.db2.gz	KQLGMBUZTRFFSU-DLBZAZTESA-N	1	0	374.485	1.862	20	30		FDEDRO
CC[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1cccc(S(N)(=O)=O)c1	ZINC000183021360	535905501	/nfs/dbraw/zinc/90/55/01/535905501.db2.gz	IJTGCUXCQBUAOB-KRWDZBQOSA-N	1	0	372.450	1.885	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1	ZINC000183079263	535916045	/nfs/dbraw/zinc/91/60/45/535916045.db2.gz	UXPDLWRRWHXUFT-GOSISDBHSA-N	1	0	360.502	1.743	20	30		FDEDRO
CC[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)CC(C)(C)O	ZINC000183178872	535936013	/nfs/dbraw/zinc/93/60/13/535936013.db2.gz	QVOVOLUHMWDCTP-OAHLLOKOSA-N	1	0	364.515	1.550	20	30		FDEDRO
C[C@@](C#N)(NC(=O)CN[C@@H](CO)c1cccc(Br)c1)C1CC1	ZINC000183910720	536065761	/nfs/dbraw/zinc/06/57/61/536065761.db2.gz	BPPLYAKRFRKILR-HOCLYGCPSA-N	1	0	366.259	1.881	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000184582127	536167119	/nfs/dbraw/zinc/16/71/19/536167119.db2.gz	JYQUKSKQLGOGCF-INIZCTEOSA-N	1	0	355.438	1.581	20	30		FDEDRO
C=CC[C@@H](CO)NC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000185905067	536220983	/nfs/dbraw/zinc/22/09/83/536220983.db2.gz	ZKCWMBWRWORJPU-HOCLYGCPSA-N	1	0	364.465	1.875	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000185905101	536220990	/nfs/dbraw/zinc/22/09/90/536220990.db2.gz	ZKCWMBWRWORJPU-GOEBONIOSA-N	1	0	364.465	1.875	20	30		FDEDRO
N#Cc1c(F)cccc1C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1	ZINC000186499506	536235772	/nfs/dbraw/zinc/23/57/72/536235772.db2.gz	JUIGSJVIZXNMHY-MRXNPFEDSA-N	1	0	353.397	1.846	20	30		FDEDRO
C#CCSCCNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1	ZINC000187183017	536256746	/nfs/dbraw/zinc/25/67/46/536256746.db2.gz	LQQWMNIEHXFLPR-UHFFFAOYSA-N	1	0	374.510	1.250	20	30		FDEDRO
CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCC(C#N)CC3)c2)CC1	ZINC000187210443	536257652	/nfs/dbraw/zinc/25/76/52/536257652.db2.gz	XAXSRZRFYGGQNY-UHFFFAOYSA-N	1	0	369.469	1.529	20	30		FDEDRO
CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000187710459	536272273	/nfs/dbraw/zinc/27/22/73/536272273.db2.gz	INJBZSUWACGHJP-UHFFFAOYSA-N	1	0	358.442	1.860	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1	ZINC000187757856	536273850	/nfs/dbraw/zinc/27/38/50/536273850.db2.gz	AHJAWILGCOMFDK-INIZCTEOSA-N	1	0	357.454	1.874	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)CN1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000246231797	536906711	/nfs/dbraw/zinc/90/67/11/536906711.db2.gz	UAXZDYWAWPJULH-SQNIBIBYSA-N	1	0	364.534	1.816	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1	ZINC000188903619	536968320	/nfs/dbraw/zinc/96/83/20/536968320.db2.gz	AJCUPBQLGVEAQI-OAHLLOKOSA-N	1	0	358.442	1.696	20	30		FDEDRO
COc1cccc(O[C@H](C)CNC(=[NH2+])N2CCN(c3ncccn3)CC2)c1	ZINC000267391226	536974391	/nfs/dbraw/zinc/97/43/91/536974391.db2.gz	CWLHEUHJCUUIGU-OAHLLOKOSA-N	1	0	370.457	1.389	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1	ZINC000188959691	536977597	/nfs/dbraw/zinc/97/75/97/536977597.db2.gz	CZVFEQWKYRPZNO-UHFFFAOYSA-N	1	0	371.485	1.290	20	30		FDEDRO
CC[C@@H](C)NC(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)=[NH+]C	ZINC000263248154	537000761	/nfs/dbraw/zinc/00/07/61/537000761.db2.gz	NUTRWMXYLWHXQX-GFCCVEGCSA-N	1	0	374.532	1.233	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CC(=O)N(CCC#N)c1ccccc1	ZINC000189447242	537048077	/nfs/dbraw/zinc/04/80/77/537048077.db2.gz	BRYJWLTZTBGOPL-QGZVFWFLSA-N	1	0	358.486	1.710	20	30		FDEDRO
COC(=O)c1oc(CN2CCN(c3nccnc3C#N)C[C@H]2C)cc1C	ZINC000246978100	537062645	/nfs/dbraw/zinc/06/26/45/537062645.db2.gz	GGLNTNCFOCQFKH-CYBMUJFWSA-N	1	0	355.398	1.747	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)CC1	ZINC000189728376	537086535	/nfs/dbraw/zinc/08/65/35/537086535.db2.gz	ARLDGUBENLQHRG-MSOLQXFVSA-N	1	0	361.486	1.194	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccc(C#N)c2)[C@@H](C)C1	ZINC000247238229	537099285	/nfs/dbraw/zinc/09/92/85/537099285.db2.gz	OMNLLPNXKUEYKJ-MAUKXSAKSA-N	1	0	365.499	1.974	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)C[C@@H]1C	ZINC000247558981	537134582	/nfs/dbraw/zinc/13/45/82/537134582.db2.gz	FUMCMVLOQINDOG-STQMWFEESA-N	1	0	350.850	1.537	20	30		FDEDRO
Cc1ccccc1C1(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)CC1	ZINC000264155887	537138435	/nfs/dbraw/zinc/13/84/35/537138435.db2.gz	AOLDPGDTMWUYRG-UHFFFAOYSA-N	1	0	350.470	1.954	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)CC1	ZINC000264392117	537143466	/nfs/dbraw/zinc/14/34/66/537143466.db2.gz	XCQXIQZTVQCKQX-UHFFFAOYSA-N	1	0	372.469	1.510	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)cc1	ZINC000190141487	537146178	/nfs/dbraw/zinc/14/61/78/537146178.db2.gz	NWLXIVNISHRAQL-OAHLLOKOSA-N	1	0	374.485	1.911	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H](CCSC)NC(N)=O)C(C)C	ZINC000264947849	537150677	/nfs/dbraw/zinc/15/06/77/537150677.db2.gz	XKXSNXDRSMVSOB-LSDHHAIUSA-N	1	0	356.536	1.591	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)[C@@H]1CO	ZINC000190368683	537169547	/nfs/dbraw/zinc/16/95/47/537169547.db2.gz	DYHQBPDIEATZJU-ZYSHUDEJSA-N	1	0	374.460	1.237	20	30		FDEDRO
C=CCCCCC[N@@H+](C)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000265749743	537170948	/nfs/dbraw/zinc/17/09/48/537170948.db2.gz	FBNXQGPBNNPZDE-UHFFFAOYSA-N	1	0	367.515	1.671	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1	ZINC000248231115	537171165	/nfs/dbraw/zinc/17/11/65/537171165.db2.gz	BTFNKWUYVHRLAU-BDXSIMOUSA-N	1	0	350.507	1.568	20	30		FDEDRO
Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2C[C@H](O)C[C@H]2CO)c1C#N	ZINC000248396807	537177129	/nfs/dbraw/zinc/17/71/29/537177129.db2.gz	QPKKEBCIGZYCBA-DLBZAZTESA-N	1	0	374.485	1.848	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2CCOC)CC1	ZINC000190819738	537187516	/nfs/dbraw/zinc/18/75/16/537187516.db2.gz	JIKBUTKPVXBKLD-UHFFFAOYSA-N	1	0	359.470	1.971	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)[C@H]2COc3ccccc32)CC1	ZINC000248565745	537192521	/nfs/dbraw/zinc/19/25/21/537192521.db2.gz	DWJAZTFPYLXKOD-UHOSZYNNSA-N	1	0	370.497	1.833	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccccc1C(N)=O	ZINC000191418783	537204780	/nfs/dbraw/zinc/20/47/80/537204780.db2.gz	VLGOKWLQMPICBD-UHFFFAOYSA-N	1	0	364.449	1.790	20	30		FDEDRO
C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)c2ccnc(C#N)c2)CC1	ZINC000192889318	537235412	/nfs/dbraw/zinc/23/54/12/537235412.db2.gz	RZUURLMUPMFIRH-UHFFFAOYSA-N	1	0	371.485	1.509	20	30		FDEDRO
Cc1sc(NC(=O)CN2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c(C#N)c1C	ZINC000249517031	537237185	/nfs/dbraw/zinc/23/71/85/537237185.db2.gz	RTCCQHMULZTOKI-VXGBXAGGSA-N	1	0	350.488	1.562	20	30		FDEDRO
C[C@@H]([NH3+])CCC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1	ZINC000193205844	537242273	/nfs/dbraw/zinc/24/22/73/537242273.db2.gz	SFIAEDIJVZNCKZ-RILUTCLRSA-N	1	0	352.460	1.565	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1	ZINC000250346882	537244820	/nfs/dbraw/zinc/24/48/20/537244820.db2.gz	YZNKUEMNWDKMDR-QWFCFKBJSA-N	1	0	363.550	1.531	20	30		FDEDRO
C[NH+]=C(NC[C@@H](c1ccco1)N(C)C)N1CCO[C@@H](c2cnn(C)c2)C1	ZINC000261797067	537253358	/nfs/dbraw/zinc/25/33/58/537253358.db2.gz	RBNVQGUFGLZJOU-DOTOQJQBSA-N	1	0	360.462	1.265	20	30		FDEDRO
CC(C)[NH+]1CCC(N(C)CCS(=O)(=O)c2ccc(C#N)cn2)CC1	ZINC000290142602	537269122	/nfs/dbraw/zinc/26/91/22/537269122.db2.gz	CFWNFMRIFDCRRH-UHFFFAOYSA-N	1	0	350.488	1.532	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1	ZINC000282220175	537269087	/nfs/dbraw/zinc/26/90/87/537269087.db2.gz	ALERBBKTHXSATQ-NXHRZFHOSA-N	1	0	362.499	1.529	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCC[N@@H+](C)CCN(C)C	ZINC000290180054	537282484	/nfs/dbraw/zinc/28/24/84/537282484.db2.gz	QTKWOVHKMCVOCZ-UHFFFAOYSA-N	1	0	361.490	1.208	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)C(=O)[C@H](C#N)Cc1ccc(C#N)cc1	ZINC000290250672	537300323	/nfs/dbraw/zinc/30/03/23/537300323.db2.gz	XVFHWGVBWUJJNN-IBGZPJMESA-N	1	0	355.486	1.582	20	30		FDEDRO
CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(c2ccccc2C#N)CC1	ZINC000298768667	537307699	/nfs/dbraw/zinc/30/76/99/537307699.db2.gz	VRVLUXLAEPLPHF-UHFFFAOYSA-N	1	0	371.485	1.007	20	30		FDEDRO
C[C@@H](O)C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C1CCCCC1	ZINC000290284533	537313647	/nfs/dbraw/zinc/31/36/47/537313647.db2.gz	MLQLMDHFZBZYBT-CQSZACIVSA-N	1	0	351.472	1.742	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC2(C)CC[NH+](C)CC2)cc1	ZINC000272665019	537315720	/nfs/dbraw/zinc/31/57/20/537315720.db2.gz	JFMJRNZDTNHBID-UHFFFAOYSA-N	1	0	372.469	1.389	20	30		FDEDRO
N#Cc1ccc(CNC(=O)NC[C@@]2(N3CCOCC3)CCCOC2)cc1	ZINC000363837284	537333026	/nfs/dbraw/zinc/33/30/26/537333026.db2.gz	WYCFSBDHJOYEEW-IBGZPJMESA-N	1	0	358.442	1.239	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000333058436	537346196	/nfs/dbraw/zinc/34/61/96/537346196.db2.gz	CWCHTRSWWXIHFW-BDXSIMOUSA-N	1	0	351.491	1.787	20	30		FDEDRO
C#CC(C)(C)[N@H+](C)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000279254232	537346645	/nfs/dbraw/zinc/34/66/45/537346645.db2.gz	LMECZGAGMDNLIM-UHFFFAOYSA-N	1	0	366.483	1.430	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)NCC2([NH+]3CCCC3)CCOCC2)n1	ZINC000279560857	537350358	/nfs/dbraw/zinc/35/03/58/537350358.db2.gz	SEWRFVASNHHWGA-UHFFFAOYSA-N	1	0	373.501	1.693	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NCc1ccc(OCCC[NH+](C)C)cc1	ZINC000283111656	537354247	/nfs/dbraw/zinc/35/42/47/537354247.db2.gz	YGHJTLWBVJLMEB-OAHLLOKOSA-N	1	0	368.503	1.585	20	30		FDEDRO
N#Cc1ccc(CN(CC(=O)N2CCN(C(=O)C3CC3)CC2)C2CC2)cc1	ZINC000194959319	537355052	/nfs/dbraw/zinc/35/50/52/537355052.db2.gz	NHDGAEASYZCZDF-UHFFFAOYSA-N	1	0	366.465	1.603	20	30		FDEDRO
C[N@H+](C[C@H](O)COc1cc(C#N)ccc1I)C1CC1	ZINC000290503762	537365381	/nfs/dbraw/zinc/36/53/81/537365381.db2.gz	AXLRMKYJGPJAQA-LBPRGKRZSA-N	1	0	372.206	1.997	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCCn2ccc3ccccc32)CC1	ZINC000283530403	537380252	/nfs/dbraw/zinc/38/02/52/537380252.db2.gz	RFLSUFXEOBWQOI-UHFFFAOYSA-N	1	0	368.481	1.914	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[N@@H+](CCC)CC2)c1	ZINC000364383031	537391790	/nfs/dbraw/zinc/39/17/90/537391790.db2.gz	XZSKCAHGPFVICZ-UHFFFAOYSA-N	1	0	365.499	1.709	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1	ZINC000283900327	537391919	/nfs/dbraw/zinc/39/19/19/537391919.db2.gz	CTQFRNDYPXXYPB-SFHVURJKSA-N	1	0	365.499	1.390	20	30		FDEDRO
COCc1nc2n(n1)C[C@@H]([NH2+]C1CCN(c3ccc(C#N)cc3)CC1)CC2	ZINC000285974952	537394280	/nfs/dbraw/zinc/39/42/80/537394280.db2.gz	GFVGIWIPZHGQLV-KRWDZBQOSA-N	1	0	366.469	1.870	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2cccc3cccnc32)CC1	ZINC000283970292	537400264	/nfs/dbraw/zinc/40/02/64/537400264.db2.gz	MDTFQTOGOPJWJB-UHFFFAOYSA-N	1	0	366.465	1.660	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(-c2nnco2)ccc1C	ZINC000293340648	537423153	/nfs/dbraw/zinc/42/31/53/537423153.db2.gz	KCVUDBVUXUNHNP-UHFFFAOYSA-N	1	0	355.398	1.055	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC[N@@H+](C2CCC2)C1	ZINC000293401462	537441863	/nfs/dbraw/zinc/44/18/63/537441863.db2.gz	KORVGUDGPKHWPE-CQSZACIVSA-N	1	0	358.446	1.068	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2ccn(CCOC)c2c1	ZINC000293425173	537452665	/nfs/dbraw/zinc/45/26/65/537452665.db2.gz	QKDHTQIQNZCMFG-UHFFFAOYSA-N	1	0	370.453	1.298	20	30		FDEDRO
C=CCC[N@H+](C)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000276375946	537460101	/nfs/dbraw/zinc/46/01/01/537460101.db2.gz	HOSZXGGESBQCCH-UHFFFAOYSA-N	1	0	354.472	1.594	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)CN2CCN(c3ncc(F)cn3)CC2)cc1	ZINC000273718356	537493989	/nfs/dbraw/zinc/49/39/89/537493989.db2.gz	PEPTVWLDJMJJGE-MRXNPFEDSA-N	1	0	357.389	1.049	20	30		FDEDRO
COCC[N@@H+]1CCCN(C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)CC1	ZINC000299240065	537501759	/nfs/dbraw/zinc/50/17/59/537501759.db2.gz	WSWMSVFDMIUXMW-UHFFFAOYSA-N	1	0	360.458	1.389	20	30		FDEDRO
CN(CCC[NH+]1CCCC1)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1	ZINC000281219650	537515581	/nfs/dbraw/zinc/51/55/81/537515581.db2.gz	DRJVOCITNMOAMK-MRXNPFEDSA-N	1	0	367.453	1.929	20	30		FDEDRO
Cc1cc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)nn1CCC#N	ZINC000272071324	537522275	/nfs/dbraw/zinc/52/22/75/537522275.db2.gz	KLOSKNTVXDOLLG-HZPDHXFCSA-N	1	0	360.462	1.605	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1	ZINC000274327868	537523858	/nfs/dbraw/zinc/52/38/58/537523858.db2.gz	ZBWWLEPINAUMIZ-MJGOQNOKSA-N	1	0	356.470	1.364	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1	ZINC000274327866	537523955	/nfs/dbraw/zinc/52/39/55/537523955.db2.gz	ZBWWLEPINAUMIZ-IEBWSBKVSA-N	1	0	356.470	1.364	20	30		FDEDRO
CN1CCN(C(=O)CC[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)CC1	ZINC000275346543	537555656	/nfs/dbraw/zinc/55/56/56/537555656.db2.gz	YTQVYZKSAVRXKP-LJQANCHMSA-N	1	0	355.486	1.033	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000289541456	537576464	/nfs/dbraw/zinc/57/64/64/537576464.db2.gz	WSIBHBHGRNXSNX-UHFFFAOYSA-N	1	0	356.474	1.924	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1)C(C)C	ZINC000281676815	537576471	/nfs/dbraw/zinc/57/64/71/537576471.db2.gz	ZVHABWJPMJSOOE-IBGZPJMESA-N	1	0	370.497	1.930	20	30		FDEDRO
C[C@H]1CN(C(=O)COc2ccccc2C#N)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000361202504	537592151	/nfs/dbraw/zinc/59/21/51/537592151.db2.gz	QTVHUUSDIVTNBL-FUHWJXTLSA-N	1	0	356.470	1.421	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccnc(-n3ccnc3)c2)CC1	ZINC000303987230	537597728	/nfs/dbraw/zinc/59/77/28/537597728.db2.gz	VFMJZCQOPCZTBO-UHFFFAOYSA-N	1	0	371.445	1.293	20	30		FDEDRO
C#CCOc1ccc(C[NH2+]C2CCN(CC(=O)N3CCCC3)CC2)cc1	ZINC000362984564	537601048	/nfs/dbraw/zinc/60/10/48/537601048.db2.gz	RWCBQLFJMVRNCR-UHFFFAOYSA-N	1	0	355.482	1.875	20	30		FDEDRO
CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(C)(C)[NH3+])c1	ZINC000237071274	537608915	/nfs/dbraw/zinc/60/89/15/537608915.db2.gz	PRZGOCBXLNZBME-HMMYKYKNSA-N	1	0	366.487	1.955	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(C[NH2+]CC)CC2)c1	ZINC000237054454	537609344	/nfs/dbraw/zinc/60/93/44/537609344.db2.gz	QLOKAAWFOXOOMC-UHFFFAOYSA-N	1	0	365.499	1.613	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](CCCO)c2ccccc2)nc1	ZINC000289875497	537612624	/nfs/dbraw/zinc/61/26/24/537612624.db2.gz	LWOMFBYJKLKOQM-KRWDZBQOSA-N	1	0	359.451	1.830	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Cc1csc(NC(=O)c2ccoc2C)n1	ZINC000293912699	537622972	/nfs/dbraw/zinc/62/29/72/537622972.db2.gz	GDVPQKREXGTCTJ-UHFFFAOYSA-N	1	0	374.466	1.911	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccn(-c4cccc(C#N)c4)n3)[C@H]2C1	ZINC000293944447	537628713	/nfs/dbraw/zinc/62/87/13/537628713.db2.gz	RCZWCEQELTWJEH-RBUKOAKNSA-N	1	0	365.437	1.679	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1ccc(S(=O)(=O)NCC(C)C)cc1	ZINC000293954919	537630939	/nfs/dbraw/zinc/63/09/39/537630939.db2.gz	KLLOECAUCFMQSE-UHFFFAOYSA-N	1	0	365.499	1.306	20	30		FDEDRO
Cc1c([C@H]2OCC[C@@H]2C(=O)N[C@@H](CO)C[NH+]2CCCCC2)cnn1C	ZINC000329163728	537634957	/nfs/dbraw/zinc/63/49/57/537634957.db2.gz	GQNNIUSLORPJDA-VYDXJSESSA-N	1	0	350.463	1.609	20	30		FDEDRO
C[C@@H]1CN(C(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)C[C@@H]1[NH+](C)C	ZINC000329502702	537637574	/nfs/dbraw/zinc/63/75/74/537637574.db2.gz	KULWHGXLUGADEK-OAGGEKHMSA-N	1	0	351.495	1.463	20	30		FDEDRO
C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NC(C)(C)CC[NH+]1CCCCCC1	ZINC000329652022	537641377	/nfs/dbraw/zinc/64/13/77/537641377.db2.gz	KPSASPXKAMBECO-LSDHHAIUSA-N	1	0	359.536	1.968	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)CN2CCN(C(=O)c3ccccn3)CC2)CC1	ZINC000329711366	537642567	/nfs/dbraw/zinc/64/25/67/537642567.db2.gz	OMJBQFONKOENFC-UHFFFAOYSA-N	1	0	373.501	1.669	20	30		FDEDRO
Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)NC[C@H]2CCCO2)on1	ZINC000329919818	537646158	/nfs/dbraw/zinc/64/61/58/537646158.db2.gz	DQBAWCWKRIBEDY-SOUVJXGZSA-N	1	0	354.426	1.920	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+]CCCn3cc(CO)nn3)CC2)cc1	ZINC000290011935	537647326	/nfs/dbraw/zinc/64/73/26/537647326.db2.gz	ZWZKPHUQABEQRJ-UHFFFAOYSA-N	1	0	354.458	1.286	20	30		FDEDRO
CCn1ncnc1CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1	ZINC000330006771	537649627	/nfs/dbraw/zinc/64/96/27/537649627.db2.gz	DBOISDZIJMGHQR-WMLDXEAASA-N	1	0	374.493	1.460	20	30		FDEDRO
CC[C@@H](NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)N1CCOCC1	ZINC000330232045	537652789	/nfs/dbraw/zinc/65/27/89/537652789.db2.gz	FHSFYJKXRHHKAV-MRXNPFEDSA-N	1	0	352.479	1.002	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@H](O)C23CCCC3)CC1	ZINC000330356922	537655207	/nfs/dbraw/zinc/65/52/07/537655207.db2.gz	SFLTZEKRZFBQIR-SJORKVTESA-N	1	0	352.523	1.553	20	30		FDEDRO
CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1	ZINC000330667148	537659419	/nfs/dbraw/zinc/65/94/19/537659419.db2.gz	XAIMAQFOHAEPEK-VGWMRTNUSA-N	1	0	370.563	1.915	20	30		FDEDRO
C=CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)OC	ZINC000290062558	537661322	/nfs/dbraw/zinc/66/13/22/537661322.db2.gz	BTWPFLGCLFXFPZ-UHFFFAOYSA-N	1	0	356.474	1.826	20	30		FDEDRO
CO[C@H]1COCC[C@@H]1CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000294408211	537692078	/nfs/dbraw/zinc/69/20/78/537692078.db2.gz	JPQCHNGOBPJCRC-MOPGFXCFSA-N	1	0	359.470	1.890	20	30		FDEDRO
C[N@@H+]1CC[C@]2(CCN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)C2)C1	ZINC000292040875	537701246	/nfs/dbraw/zinc/70/12/46/537701246.db2.gz	ANPYMKFVPWXUHJ-FQEVSTJZSA-N	1	0	364.453	1.710	20	30		FDEDRO
C[C@H](c1ccccc1)[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)C(N)=O	ZINC000292237327	537720568	/nfs/dbraw/zinc/72/05/68/537720568.db2.gz	PYFWNCYGSMOOCR-CRAIPNDOSA-N	1	0	356.470	1.918	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)COc2cccc(F)c2)CC1	ZINC000285506734	537722637	/nfs/dbraw/zinc/72/26/37/537722637.db2.gz	NVHXNORSLBFZDB-AWEZNQCLSA-N	1	0	363.433	1.476	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)N(C)CCN1CC[NH+](Cc2ccccc2)CC1	ZINC000285510727	537723057	/nfs/dbraw/zinc/72/30/57/537723057.db2.gz	QWYNYQDAWPJZLO-LJQANCHMSA-N	1	0	371.529	1.497	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[N@@H+]2CCCC[C@@H]2COC(=O)N2CCOCC2)cc1	ZINC000375771051	537762336	/nfs/dbraw/zinc/76/23/36/537762336.db2.gz	VCFBUJQXLDZRFL-RTBURBONSA-N	1	0	373.453	1.915	20	30		FDEDRO
Cc1oc(NC(=O)[C@H](C)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(C#N)c1C	ZINC000375794056	537768668	/nfs/dbraw/zinc/76/86/68/537768668.db2.gz	OKRWSTQPYYHOGM-JQFCIGGWSA-N	1	0	360.458	1.626	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[N@@H+]2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)cc1	ZINC000375803508	537776747	/nfs/dbraw/zinc/77/67/47/537776747.db2.gz	CTIUKCOTRZRMPF-IPMKNSEASA-N	1	0	373.453	1.961	20	30		FDEDRO
CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1	ZINC000407991412	537814354	/nfs/dbraw/zinc/81/43/54/537814354.db2.gz	VBLZEVJKHDTFAF-AAEUAGOBSA-N	1	0	353.410	1.967	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+](C)C[C@@H](O)COc2ccc(SC)cc2)C1=O	ZINC000411671344	537816469	/nfs/dbraw/zinc/81/64/69/537816469.db2.gz	LQVBJEHZTLAQSS-RHSMWYFYSA-N	1	0	350.484	1.867	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000366680203	537822135	/nfs/dbraw/zinc/82/21/35/537822135.db2.gz	QJIYTFWTUPBYPA-WDSOQIARSA-N	1	0	364.534	1.778	20	30		FDEDRO
C=CCN(C(=O)[C@H](C)N1CCN(C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000371833695	537833261	/nfs/dbraw/zinc/83/32/61/537833261.db2.gz	CNDHSUMNDQCIFH-PZJWPPBQSA-N	1	0	370.541	1.911	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1	ZINC000418913439	537844822	/nfs/dbraw/zinc/84/48/22/537844822.db2.gz	FBSKHFBUYZPCDN-XIRDDKMYSA-N	1	0	372.494	1.103	20	30		FDEDRO
CN(C)C(=O)CCCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000376181674	537845716	/nfs/dbraw/zinc/84/57/16/537845716.db2.gz	NMRDIUJAINVLHC-UHFFFAOYSA-N	1	0	356.470	1.919	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+]	ZINC000418928739	537854727	/nfs/dbraw/zinc/85/47/27/537854727.db2.gz	VNLJQDMVKNFHQE-HOCLYGCPSA-N	1	0	360.483	1.151	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C	ZINC000409552873	537860458	/nfs/dbraw/zinc/86/04/58/537860458.db2.gz	LLCLMKXTCFPGOW-WMLDXEAASA-N	1	0	368.503	1.614	20	30		FDEDRO
CN(C)S(=O)(=O)N(CC#N)Cc1ccc(C[NH+]2CCCCC2)cc1	ZINC000419008260	537888250	/nfs/dbraw/zinc/88/82/50/537888250.db2.gz	SVSYJRMCDSYISC-UHFFFAOYSA-N	1	0	350.488	1.804	20	30		FDEDRO
N#Cc1ccccc1OC1CCC(NC(=O)C(=O)N2CCC[NH2+]CC2)CC1	ZINC000419035785	537902692	/nfs/dbraw/zinc/90/26/92/537902692.db2.gz	OZASZLCDWNPANM-UHFFFAOYSA-N	1	0	370.453	1.186	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1	ZINC000411974016	537919321	/nfs/dbraw/zinc/91/93/21/537919321.db2.gz	XYMIMTVXCFLGFI-XPGWFJOJSA-N	1	0	356.470	1.558	20	30		FDEDRO
C#Cc1ccc(C[NH+]2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1	ZINC000367317075	537957573	/nfs/dbraw/zinc/95/75/73/537957573.db2.gz	HMGOADSZQPLYBH-UHFFFAOYSA-N	1	0	353.466	1.604	20	30		FDEDRO
C[NH+](C)CCN1CCC(NC(=O)[C@@]2(C#N)CCc3ccccc3C2)CC1	ZINC000368463305	537981648	/nfs/dbraw/zinc/98/16/48/537981648.db2.gz	YCYSCLCBHSNXOS-NRFANRHFSA-N	1	0	354.498	1.827	20	30		FDEDRO
CN(C(=O)C[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1)C1(C#N)CCCCC1	ZINC000372692814	538003329	/nfs/dbraw/zinc/00/33/29/538003329.db2.gz	IKDOOHWNALWVBW-ROUUACIJSA-N	1	0	362.518	1.904	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H]3C(=O)NC[C@H]3C2)c1C	ZINC000377732458	538009034	/nfs/dbraw/zinc/00/90/34/538009034.db2.gz	LPAYFACAUWQOSI-IRXDYDNUSA-N	1	0	354.454	1.618	20	30		FDEDRO
N#Cc1ccc(NC(=O)CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1Cl	ZINC000369282236	538010492	/nfs/dbraw/zinc/01/04/92/538010492.db2.gz	ZIIPXKNMFGVORQ-IAGOWNOFSA-N	1	0	362.861	1.681	20	30		FDEDRO
C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000415344499	538016286	/nfs/dbraw/zinc/01/62/86/538016286.db2.gz	NQIKQALFSQXURN-JTQLQIEISA-N	1	0	370.331	1.258	20	30		FDEDRO
[NH3+]C1CCC(NC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1	ZINC000415349567	538021161	/nfs/dbraw/zinc/02/11/61/538021161.db2.gz	GSFKWSJAGJNHIK-UHFFFAOYSA-N	1	0	362.433	1.806	20	30		FDEDRO
C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000415408272	538034765	/nfs/dbraw/zinc/03/47/65/538034765.db2.gz	BZKHOERJWGASQH-VIFPVBQESA-N	1	0	358.320	1.367	20	30		FDEDRO
C[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C[C@@H]1C[NH3+]	ZINC000415444428	538048648	/nfs/dbraw/zinc/04/86/48/538048648.db2.gz	GFKOXYSZJIBHDI-JSGCOSHPSA-N	1	0	356.405	2.332	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N=c2ccn(C3CC[NH+](C)CC3)[nH]2)c1	ZINC000369662117	538049527	/nfs/dbraw/zinc/04/95/27/538049527.db2.gz	DHENHZWKLZYARE-UHFFFAOYSA-N	1	0	351.410	1.708	20	30		FDEDRO
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCO[C@H](C[NH3+])C2)n1	ZINC000415455524	538058984	/nfs/dbraw/zinc/05/89/84/538058984.db2.gz	JQMWZASLNFVJAD-CYBMUJFWSA-N	1	0	360.805	1.589	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1=O	ZINC000369755143	538059880	/nfs/dbraw/zinc/05/98/80/538059880.db2.gz	OGBBRNUNHVKEQP-QRQLOZEOSA-N	1	0	370.497	1.935	20	30		FDEDRO
C=CCN1CC(=O)N([C@H]2CC[N@@H+](Cc3cc(OC)cc(OC)c3)C2)C1=O	ZINC000372914657	538061910	/nfs/dbraw/zinc/06/19/10/538061910.db2.gz	QQNVVVBCACIAGK-HNNXBMFYSA-N	1	0	359.426	1.728	20	30		FDEDRO
C[C@H]1CCCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)[C@@H]1C[NH3+]	ZINC000415465302	538064870	/nfs/dbraw/zinc/06/48/70/538064870.db2.gz	SHUQVNSDNZNADL-BLLLJJGKSA-N	1	0	356.405	2.474	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1	ZINC000411386977	538066274	/nfs/dbraw/zinc/06/62/74/538066274.db2.gz	KULDKDSPRZUKMA-CYBMUJFWSA-N	1	0	364.421	1.713	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)N2CC[NH2+][C@@H](C)C2)c(C#N)cn1CCOC	ZINC000415489517	538069462	/nfs/dbraw/zinc/06/94/62/538069462.db2.gz	MSMZNUCMVQWKDJ-LBPRGKRZSA-N	1	0	363.418	1.008	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@H]4CC[N@@H+](C)[C@H]4C3)CC2)o1	ZINC000372979769	538073322	/nfs/dbraw/zinc/07/33/22/538073322.db2.gz	MNSZCJAUOGRGQQ-PBHICJAKSA-N	1	0	357.458	1.624	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2nnn(Cc3cc(C)on3)c2C)CC1	ZINC000560473750	545514111	/nfs/dbraw/zinc/51/41/11/545514111.db2.gz	ZVRNWAGOZRNUGN-UHFFFAOYSA-N	1	0	358.446	1.702	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000370837654	538094375	/nfs/dbraw/zinc/09/43/75/538094375.db2.gz	CZQHQDFODAKKPR-LPHOPBHVSA-N	1	0	370.497	1.952	20	30		FDEDRO
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000419866492	538123131	/nfs/dbraw/zinc/12/31/31/538123131.db2.gz	ULGKXKXGCQMUAC-JKHFOPOESA-N	1	0	366.465	1.684	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)[C@@H](C)C[NH2+]1	ZINC000423633672	538126014	/nfs/dbraw/zinc/12/60/14/538126014.db2.gz	PMDNUYSBUHCVKI-GJZGRUSLSA-N	1	0	370.453	1.137	20	30		FDEDRO
Cc1cc(=NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)[nH]n1[C@@H](C)C1CC1	ZINC000438752976	538132203	/nfs/dbraw/zinc/13/22/03/538132203.db2.gz	LXTDRSQSFARAFQ-HNNXBMFYSA-N	1	0	374.489	1.795	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(C#N)cc2Cl)CCCO1	ZINC000432291861	538133964	/nfs/dbraw/zinc/13/39/64/538133964.db2.gz	OMTIXIIIITTWFK-ZDUSSCGKSA-N	1	0	371.890	1.991	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N(CC[NH3+])Cc1ccccc1	ZINC000423680482	538139159	/nfs/dbraw/zinc/13/91/59/538139159.db2.gz	LFEVNIMQICNSIU-UHFFFAOYSA-N	1	0	350.422	1.504	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](CCO)C1CCC1	ZINC000439285190	538164896	/nfs/dbraw/zinc/16/48/96/538164896.db2.gz	NWAAJJMEIZCJOU-UHFFFAOYSA-N	1	0	362.474	1.798	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NCC([NH3+])(CC)CC	ZINC000420076791	538205117	/nfs/dbraw/zinc/20/51/17/538205117.db2.gz	AYOZHQGTCARABA-UHFFFAOYSA-N	1	0	362.430	1.743	20	30		FDEDRO
C=CCN(C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)C1CC1	ZINC000420100981	538219645	/nfs/dbraw/zinc/21/96/45/538219645.db2.gz	NMCLQDHORBDYDO-PBHICJAKSA-N	1	0	363.408	1.704	20	30		FDEDRO
Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1	ZINC000440218393	538225614	/nfs/dbraw/zinc/22/56/14/538225614.db2.gz	QVLNYJOWKBMKTH-UHFFFAOYSA-N	1	0	367.384	1.688	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC1(C)CC[NH2+]CC1	ZINC000420128134	538230887	/nfs/dbraw/zinc/23/08/87/538230887.db2.gz	UNJIPKFVGOMAPC-UHFFFAOYSA-N	1	0	356.470	1.801	20	30		FDEDRO
COc1cccc(C(=O)N2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)c1OC	ZINC000424115120	538239111	/nfs/dbraw/zinc/23/91/11/538239111.db2.gz	UFYOLGOEYSTFGD-OAHLLOKOSA-N	1	0	374.441	1.009	20	30		FDEDRO
CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc1	ZINC000424123907	538240925	/nfs/dbraw/zinc/24/09/25/538240925.db2.gz	LEKWUBQNHKPYSP-DOMZBBRYSA-N	1	0	360.414	1.328	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)NCCC1=CC[NH2+]CC1	ZINC000420162956	538243942	/nfs/dbraw/zinc/24/39/42/538243942.db2.gz	JOMOFNJMCRVLDV-MOPGFXCFSA-N	1	0	366.465	1.711	20	30		FDEDRO
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)NCCC1=CC[NH2+]CC1	ZINC000420162961	538244012	/nfs/dbraw/zinc/24/40/12/538244012.db2.gz	JOMOFNJMCRVLDV-RBUKOAKNSA-N	1	0	366.465	1.711	20	30		FDEDRO
C=CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C(C)(C)COC)CC1	ZINC000424146277	538245689	/nfs/dbraw/zinc/24/56/89/538245689.db2.gz	WFLHBFXDXDXLCJ-UHFFFAOYSA-N	1	0	359.478	1.412	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F	ZINC000424177788	538248861	/nfs/dbraw/zinc/24/88/61/538248861.db2.gz	VFHBYLKGXPNPCL-UONOGXRCSA-N	1	0	368.359	1.726	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F	ZINC000424177789	538249307	/nfs/dbraw/zinc/24/93/07/538249307.db2.gz	VFHBYLKGXPNPCL-ZIAGYGMSSA-N	1	0	368.359	1.726	20	30		FDEDRO
CC(C)[C@@H](CO)[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C(C)C	ZINC000451593430	538284090	/nfs/dbraw/zinc/28/40/90/538284090.db2.gz	HZANJQTXZLAEJJ-WBVHZDCISA-N	1	0	353.488	1.606	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC(C)(C)CC#N	ZINC000422493958	538284982	/nfs/dbraw/zinc/28/49/82/538284982.db2.gz	ZDVNJMNVTCCXSV-UHFFFAOYSA-N	1	0	369.469	1.505	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c(F)c1	ZINC000433891646	538286423	/nfs/dbraw/zinc/28/64/23/538286423.db2.gz	DWQIHYUOZIHILK-CQSZACIVSA-N	1	0	374.416	1.253	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NCC(=O)Nc1ccc(F)c(F)c1	ZINC000451679005	538301639	/nfs/dbraw/zinc/30/16/39/538301639.db2.gz	YCRMUSLUVPLMID-CABCVRRESA-N	1	0	353.369	1.343	20	30		FDEDRO
N#Cc1ccc(CN2CCCN(C(=O)C(=O)NC[C@@H]3CC34CC4)CC2)cc1	ZINC000422569759	538304820	/nfs/dbraw/zinc/30/48/20/538304820.db2.gz	GLVRILJWJQRECA-SFHVURJKSA-N	1	0	366.465	1.509	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1	ZINC000451926941	538337990	/nfs/dbraw/zinc/33/79/90/538337990.db2.gz	MTHZAKZNMJLYBK-IRXDYDNUSA-N	1	0	364.515	1.919	20	30		FDEDRO
C[NH+](C)CC1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1	ZINC000434771905	538349349	/nfs/dbraw/zinc/34/93/49/538349349.db2.gz	DSDHBYBMCXJVHW-UHFFFAOYSA-N	1	0	359.474	1.853	20	30		FDEDRO
N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2CS(=O)(=O)N2CCOCC2)C1	ZINC000442714558	538370326	/nfs/dbraw/zinc/37/03/26/538370326.db2.gz	KBGCCZQLYAGMCE-CRAIPNDOSA-N	1	0	363.483	1.630	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1	ZINC000423509017	538397174	/nfs/dbraw/zinc/39/71/74/538397174.db2.gz	LAHYIXUUDRRSSJ-SJORKVTESA-N	1	0	363.433	1.130	20	30		FDEDRO
N#Cc1ncc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1Cl	ZINC000453713819	538420183	/nfs/dbraw/zinc/42/01/83/538420183.db2.gz	VJEIYKGNEOUNDK-ZDUSSCGKSA-N	1	0	361.833	1.632	20	30		FDEDRO
N#C[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1	ZINC000461773486	538563217	/nfs/dbraw/zinc/56/32/17/538563217.db2.gz	PAGBCRBTMFBYDM-ZBFHGGJFSA-N	1	0	372.494	1.982	20	30		FDEDRO
N#CCCn1cc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)c(-c2ccncc2)n1	ZINC000481820893	538577812	/nfs/dbraw/zinc/57/78/12/538577812.db2.gz	ZILQFESNLWSRBR-SJLPKXTDSA-N	1	0	355.442	1.593	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1cn[nH]c1	ZINC000494687644	538578599	/nfs/dbraw/zinc/57/85/99/538578599.db2.gz	FXABJRNQIFHPAH-UKRRQHHQSA-N	1	0	358.471	1.531	20	30		FDEDRO
C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2cnccc2C#N)c1	ZINC000487159501	538612352	/nfs/dbraw/zinc/61/23/52/538612352.db2.gz	RFNZRVUNLXCVSE-UHFFFAOYSA-N	1	0	373.438	1.045	20	30		FDEDRO
C[N@@H+]1CCC[C@H](CCNC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1	ZINC000560618495	545557335	/nfs/dbraw/zinc/55/73/35/545557335.db2.gz	HHKWPODCWQBCKK-CQSZACIVSA-N	1	0	353.430	1.992	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c1	ZINC000456016249	538685541	/nfs/dbraw/zinc/68/55/41/538685541.db2.gz	ZEHQVXBOMRGFOR-UHFFFAOYSA-N	1	0	369.429	1.385	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000483212143	538688625	/nfs/dbraw/zinc/68/86/25/538688625.db2.gz	QZVOAHWDGWMRIG-KRWDZBQOSA-N	1	0	368.437	1.524	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)n1cnc(C#N)n1	ZINC000464060501	538693191	/nfs/dbraw/zinc/69/31/91/538693191.db2.gz	VPRLJBGXDLYECE-HNNXBMFYSA-N	1	0	363.425	1.385	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)o1	ZINC000502035335	538708244	/nfs/dbraw/zinc/70/82/44/538708244.db2.gz	JRNADEKPHMKFLF-IRXDYDNUSA-N	1	0	350.422	1.840	20	30		FDEDRO
CC[C@H]1CN(CCNC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)CCO1	ZINC000470440094	538837235	/nfs/dbraw/zinc/83/72/35/538837235.db2.gz	BKBJZFBKFMXXQJ-HNNXBMFYSA-N	1	0	360.458	1.435	20	30		FDEDRO
C[C@H](Cn1cccn1)[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000561223853	545756019	/nfs/dbraw/zinc/75/60/19/545756019.db2.gz	HILPQRMNJWQEHX-HZPDHXFCSA-N	1	0	372.498	1.332	20	30		FDEDRO
C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)NCCCCC#N)CC2)C[C@H](C)O1	ZINC000561350776	545814196	/nfs/dbraw/zinc/81/41/96/545814196.db2.gz	IXDRQPRYWXAJQO-IYBDPMFKSA-N	1	0	364.490	1.144	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C	ZINC000561353222	545814535	/nfs/dbraw/zinc/81/45/35/545814535.db2.gz	CUIQTBPBHQHDGB-IRXDYDNUSA-N	1	0	353.507	1.664	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000561678323	545924434	/nfs/dbraw/zinc/92/44/34/545924434.db2.gz	LKENXEUZDIWPBS-HOTGVXAUSA-N	1	0	351.491	1.465	20	30		FDEDRO
Cn1c(Nc2cccc3c2OCC[C@H]3[NH+](C)C)c(C#N)c(=O)n(C)c1=O	ZINC000562412458	546131247	/nfs/dbraw/zinc/13/12/47/546131247.db2.gz	SLIZXYRQBZCZDD-CQSZACIVSA-N	1	0	355.398	1.084	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)CC1	ZINC000562544948	546174082	/nfs/dbraw/zinc/17/40/82/546174082.db2.gz	GYMCORKQZPTQOA-RDGPPVDQSA-N	1	0	362.518	1.304	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1	ZINC000562995939	546347888	/nfs/dbraw/zinc/34/78/88/546347888.db2.gz	MYMGMYIVLAWVNY-HUUCEWRRSA-N	1	0	368.428	1.663	20	30		FDEDRO
CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)[C@@H]1n1cccn1	ZINC000563000036	546349170	/nfs/dbraw/zinc/34/91/70/546349170.db2.gz	HKJOOPOMMDTONM-LULLPPNCSA-N	1	0	356.426	1.503	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]C2CCN(c3cccnn3)CC2)cc1	ZINC000563003166	546350027	/nfs/dbraw/zinc/35/00/27/546350027.db2.gz	QELHUQQFEGZKPG-KRWDZBQOSA-N	1	0	353.426	1.347	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+](CCC(=O)OC(C)(C)C)C2CCOCC2)C1=O	ZINC000563067144	546382678	/nfs/dbraw/zinc/38/26/78/546382678.db2.gz	GHLROSXXVWLZBT-MRXNPFEDSA-N	1	0	352.475	1.986	20	30		FDEDRO
COc1cncc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1	ZINC000563230651	546456775	/nfs/dbraw/zinc/45/67/75/546456775.db2.gz	USPGTSFPGUASMT-UHFFFAOYSA-N	1	0	354.414	1.953	20	30		FDEDRO
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1	ZINC000563784057	546682515	/nfs/dbraw/zinc/68/25/15/546682515.db2.gz	RPXICJZSTKSHBA-IAGOWNOFSA-N	1	0	368.547	1.500	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3CCC4(CC[NH2+]4)CC3)n2)c(F)c1	ZINC000563879820	546719675	/nfs/dbraw/zinc/71/96/75/546719675.db2.gz	CQVZPRMWWHGNCA-UHFFFAOYSA-N	1	0	354.389	2.243	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1=O	ZINC000563974466	546760729	/nfs/dbraw/zinc/76/07/29/546760729.db2.gz	XLNBBCWDMOZWOQ-CVEARBPZSA-N	1	0	351.516	1.449	20	30		FDEDRO
N#CCC(=O)N1CCN(CCC[NH+]2CCN(c3ccccc3)CC2)CC1	ZINC000564221305	546849966	/nfs/dbraw/zinc/84/99/66/546849966.db2.gz	BRNJCVBWRJPHBI-UHFFFAOYSA-N	1	0	355.486	1.257	20	30		FDEDRO
COCC[NH2+]C1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1	ZINC000564739222	547022060	/nfs/dbraw/zinc/02/20/60/547022060.db2.gz	XDDVQICXQCSSDJ-UHFFFAOYSA-N	1	0	357.863	1.601	20	30		FDEDRO
Cc1ccc(C[C@H](CO)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1	ZINC000564974094	547136066	/nfs/dbraw/zinc/13/60/66/547136066.db2.gz	CTSBSVDLGRAWPF-QGZVFWFLSA-N	1	0	359.451	1.229	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)n1	ZINC000565301808	547297169	/nfs/dbraw/zinc/29/71/69/547297169.db2.gz	RODCCZIDBOOCIS-UHFFFAOYSA-N	1	0	355.442	1.616	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1	ZINC000565521496	547382139	/nfs/dbraw/zinc/38/21/39/547382139.db2.gz	ZEPALTJXODYWRZ-DKKFBQAASA-N	1	0	362.518	1.472	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000566113725	547609616	/nfs/dbraw/zinc/60/96/16/547609616.db2.gz	YGGIDSFKZHYFQS-LXPRWKDFSA-N	1	0	357.458	1.439	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCc3nnnn3CC2)c(OC)c1	ZINC000566119226	547614029	/nfs/dbraw/zinc/61/40/29/547614029.db2.gz	UQACLNIPWHBGTI-JKSUJKDBSA-N	1	0	373.457	1.145	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)s1	ZINC000566501372	547783905	/nfs/dbraw/zinc/78/39/05/547783905.db2.gz	HJTGPUGXQXVPAW-TZMCWYRMSA-N	1	0	355.485	1.527	20	30		FDEDRO
C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCc1ccc(CC#N)cc1	ZINC000567233611	548042102	/nfs/dbraw/zinc/04/21/02/548042102.db2.gz	YUKLONSOCGOPPK-QGZVFWFLSA-N	1	0	356.470	1.605	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C	ZINC000567296200	548067042	/nfs/dbraw/zinc/06/70/42/548067042.db2.gz	FECAXJZMJLAELR-KSZLIROESA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1	ZINC000567298608	548068627	/nfs/dbraw/zinc/06/86/27/548068627.db2.gz	HSGJVDICQMIAOM-UHFFFAOYSA-N	1	0	353.463	1.539	20	30		FDEDRO
CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000567353034	548088792	/nfs/dbraw/zinc/08/87/92/548088792.db2.gz	YCENOTOWANAIMH-GDBMZVCRSA-N	1	0	354.472	1.080	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C1(c2cc(F)cc(C#N)c2)CC1	ZINC000567397167	548104433	/nfs/dbraw/zinc/10/44/33/548104433.db2.gz	OOSZAOCETHDGBU-OAHLLOKOSA-N	1	0	358.461	1.871	20	30		FDEDRO
C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)C(=O)N1CCCC[C@@H]1C	ZINC000567605791	548179143	/nfs/dbraw/zinc/17/91/43/548179143.db2.gz	FPYBJBSVJQXQGD-BQFCYCMXSA-N	1	0	359.470	1.871	20	30		FDEDRO
C[NH+](C)CCn1ccc(C(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)n1	ZINC000567625746	548185453	/nfs/dbraw/zinc/18/54/53/548185453.db2.gz	VXKHIUOCHOHSEE-UHFFFAOYSA-N	1	0	363.425	1.636	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CC(=O)N(C3CCCCC3)C2)cc1	ZINC000567687407	548213261	/nfs/dbraw/zinc/21/32/61/548213261.db2.gz	HECVYQJHUMOAGF-FUHWJXTLSA-N	1	0	357.454	1.821	20	30		FDEDRO
CN(C)CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C(C)(C)C	ZINC000567689965	548215173	/nfs/dbraw/zinc/21/51/73/548215173.db2.gz	VCMFDENZQKFPCA-OAHLLOKOSA-N	1	0	352.504	1.683	20	30		FDEDRO
CCS(=O)(=O)c1cccc(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)c1	ZINC000567700961	548219502	/nfs/dbraw/zinc/21/95/02/548219502.db2.gz	WEFJIFYGFDIQGD-KRWDZBQOSA-N	1	0	374.462	1.881	20	30		FDEDRO
CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1cnc2c(C#N)cnn2c1	ZINC000567888688	548310117	/nfs/dbraw/zinc/31/01/17/548310117.db2.gz	NWEASTAJSNZPDR-INIZCTEOSA-N	1	0	369.450	1.943	20	30		FDEDRO
CC1(C)[C@H](O)C[C@@H]1[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000568410642	548526924	/nfs/dbraw/zinc/52/69/24/548526924.db2.gz	UGFAUEJYPBLDFI-CWRNSKLLSA-N	1	0	362.499	1.206	20	30		FDEDRO
Cc1nn(C)c(C)c1CCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000568740293	548660140	/nfs/dbraw/zinc/66/01/40/548660140.db2.gz	DWGYKIZYYJOQRQ-UHFFFAOYSA-N	1	0	360.483	1.905	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2	ZINC000569088430	548791356	/nfs/dbraw/zinc/79/13/56/548791356.db2.gz	KMRQWGSTDWQVSN-KRWDZBQOSA-N	1	0	353.470	1.657	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000569258676	548854478	/nfs/dbraw/zinc/85/44/78/548854478.db2.gz	JEDVCZJNQXAGOP-SJORKVTESA-N	1	0	351.491	1.343	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCOc2ccc3c(c2)OCO3)cc1	ZINC000569292775	548863709	/nfs/dbraw/zinc/86/37/09/548863709.db2.gz	OFINABCIFQZDMV-UHFFFAOYSA-N	1	0	374.418	1.729	20	30		FDEDRO
COc1cc(CNC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1C#N	ZINC000569979618	549118615	/nfs/dbraw/zinc/11/86/15/549118615.db2.gz	BPOMQKPAFZYVIR-GASCZTMLSA-N	1	0	360.458	1.865	20	30		FDEDRO
CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1	ZINC000570792699	549412328	/nfs/dbraw/zinc/41/23/28/549412328.db2.gz	IGMGYIXMRKEBSW-INIZCTEOSA-N	1	0	369.469	1.066	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCCS2(=O)=O)cc1	ZINC000570795418	549413536	/nfs/dbraw/zinc/41/35/36/549413536.db2.gz	ZKDYMEJYEXZHNY-WBVHZDCISA-N	1	0	352.456	1.049	20	30		FDEDRO
N#CCCn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c(-c2ccncc2)n1	ZINC000571024870	549496635	/nfs/dbraw/zinc/49/66/35/549496635.db2.gz	NVDORSXTCDNEOB-IEZWGBDMSA-N	1	0	364.453	1.945	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@@H]3CCc4[nH]cnc4C3)C2)nc1	ZINC000571140342	549538413	/nfs/dbraw/zinc/53/84/13/549538413.db2.gz	BXUMIEAZPSCANR-ZIAGYGMSSA-N	1	0	352.398	1.397	20	30		FDEDRO
N#CCNC(=O)CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1	ZINC000571792935	549765482	/nfs/dbraw/zinc/76/54/82/549765482.db2.gz	JWSUAMHNZLQWBI-HNNXBMFYSA-N	1	0	363.849	1.416	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCC[C@@H]([NH+](C)C)CC1	ZINC000571834218	549777010	/nfs/dbraw/zinc/77/70/10/549777010.db2.gz	FNDAUQXLSYHPNL-MRXNPFEDSA-N	1	0	367.457	2.395	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1	ZINC000572942144	550028818	/nfs/dbraw/zinc/02/88/18/550028818.db2.gz	YAUYIFQCZZSFEL-CHWSQXEVSA-N	1	0	354.389	1.956	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000573401904	550129407	/nfs/dbraw/zinc/12/94/07/550129407.db2.gz	BBRNJHLXOSEYCU-LJQANCHMSA-N	1	0	373.497	1.818	20	30		FDEDRO
Cn1c(C#N)ccc1C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000573413600	550131141	/nfs/dbraw/zinc/13/11/41/550131141.db2.gz	MUUTWTQFZUXAHB-GOSISDBHSA-N	1	0	351.454	1.615	20	30		FDEDRO
CCC1(CC)[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C[C@@H]1OC	ZINC000573478964	550147255	/nfs/dbraw/zinc/14/72/55/550147255.db2.gz	DULQUUNFGBJOBK-CABCVRRESA-N	1	0	351.472	1.910	20	30		FDEDRO
CN1CC[NH2+]C[C@H]1CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000574261648	550285038	/nfs/dbraw/zinc/28/50/38/550285038.db2.gz	RQXXQOMYSIHISE-INIZCTEOSA-N	1	0	357.458	1.015	20	30		FDEDRO
C[NH+]1CCN(C[C@@H](NS(=O)(=O)c2ccc(C#N)o2)c2ccccc2)CC1	ZINC000574353055	550300697	/nfs/dbraw/zinc/30/06/97/550300697.db2.gz	XMDYCEHYDNRDLT-QGZVFWFLSA-N	1	0	374.466	1.418	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)NCC[C@@H]3CCC[NH2+]C3)CC2)c1C#N	ZINC000574787508	550370614	/nfs/dbraw/zinc/37/06/14/550370614.db2.gz	VVFNKWQXNGEQIB-AWEZNQCLSA-N	1	0	362.503	1.545	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC000575355967	550457300	/nfs/dbraw/zinc/45/73/00/550457300.db2.gz	PXZCVYWISCJAMM-XIRDDKMYSA-N	1	0	351.491	1.341	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCN(c3ccccc3)C2=O)cc1	ZINC000575377453	550459069	/nfs/dbraw/zinc/45/90/69/550459069.db2.gz	RIKWNJVUDZDXDM-MJGOQNOKSA-N	1	0	351.406	1.693	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)cc1	ZINC000575401285	550460083	/nfs/dbraw/zinc/46/00/83/550460083.db2.gz	QUCWQCPZPKHGDX-ZWKOTPCHSA-N	1	0	365.433	1.972	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCS(=O)(=O)C2)c(OC)c1	ZINC000576029908	550503280	/nfs/dbraw/zinc/50/32/80/550503280.db2.gz	FSDNDLUWLWJBMC-HZPDHXFCSA-N	1	0	369.483	1.330	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1	ZINC000576441719	550549201	/nfs/dbraw/zinc/54/92/01/550549201.db2.gz	XIEJOSDFNHZMKO-MSOLQXFVSA-N	1	0	364.534	1.970	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)NC[C@H]([NH3+])c3ccccc3)CC2)c1C#N	ZINC000576492912	550555483	/nfs/dbraw/zinc/55/54/83/550555483.db2.gz	UNOSGBIQMPNSPK-INIZCTEOSA-N	1	0	370.482	1.855	20	30		FDEDRO
CCOC(=O)c1ccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)cc1	ZINC000576792407	550586223	/nfs/dbraw/zinc/58/62/23/550586223.db2.gz	MNVWTMSBMPYDFV-UHFFFAOYSA-N	1	0	355.398	1.862	20	30		FDEDRO
CC(=O)N1CCN(Cc2ccc(NC(=O)c3cnccc3C#N)cc2)CC1	ZINC000576977557	550606947	/nfs/dbraw/zinc/60/69/47/550606947.db2.gz	IYATZDCAVPNIEH-UHFFFAOYSA-N	1	0	363.421	1.870	20	30		FDEDRO
Cc1ccc([C@@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)N(C)C)cc1	ZINC000577947897	550711390	/nfs/dbraw/zinc/71/13/90/550711390.db2.gz	GUMPYVWYDFGJLM-GOSISDBHSA-N	1	0	372.494	1.928	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCO[C@@H](C(C)C)C1)C(C)C	ZINC000578251857	550745061	/nfs/dbraw/zinc/74/50/61/550745061.db2.gz	SPQNQSPNLZVJJS-QZTJIDSGSA-N	1	0	365.518	1.685	20	30		FDEDRO
C[C@]1(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCC[NH2+]C1	ZINC000579098137	550835208	/nfs/dbraw/zinc/83/52/08/550835208.db2.gz	FPHHZVGVIIDPIT-XLIONFOSSA-N	1	0	369.469	1.348	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1	ZINC000579253279	550852730	/nfs/dbraw/zinc/85/27/30/550852730.db2.gz	ODHNYAPUGLFQRJ-IBGZPJMESA-N	1	0	373.497	1.423	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	ZINC000579514566	550881362	/nfs/dbraw/zinc/88/13/62/550881362.db2.gz	FAZLSKNWQDQSQK-UHFFFAOYSA-N	1	0	365.518	1.810	20	30		FDEDRO
CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+](C)CCOCc2ccc(C#N)cc2)CC1	ZINC000579520894	550882343	/nfs/dbraw/zinc/88/23/43/550882343.db2.gz	MDSXTRHHBBZNQK-MRXNPFEDSA-N	1	0	372.469	1.086	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccccc2CNC(=O)NCC2(C#N)CC2)CC1	ZINC000580161530	550948982	/nfs/dbraw/zinc/94/89/82/550948982.db2.gz	FSFVJMIVXSCNGR-UHFFFAOYSA-N	1	0	355.486	1.927	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)CCS(=O)(=O)c2ccc(C#N)cn2)C[C@@H]1C	ZINC000580477750	550986284	/nfs/dbraw/zinc/98/62/84/550986284.db2.gz	CHDJQYSJUNEYLW-GOEBONIOSA-N	1	0	350.488	1.532	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)n(CCC#N)n1	ZINC000580592474	550998371	/nfs/dbraw/zinc/99/83/71/550998371.db2.gz	XXUOQTKLZLGPQP-CABCVRRESA-N	1	0	358.446	1.129	20	30		FDEDRO
C[C@@](CO)(C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1	ZINC000580834315	551023607	/nfs/dbraw/zinc/02/36/07/551023607.db2.gz	NRBKQOOBWCGHRX-IBGZPJMESA-N	1	0	373.478	1.558	20	30		FDEDRO
C[C@@H]1CN(Cc2cccc(C[NH2+]C[C@@H](O)CN(C)CCC#N)c2)CCO1	ZINC000581066863	551048265	/nfs/dbraw/zinc/04/82/65/551048265.db2.gz	ZCZGFMQKHOQATC-YLJYHZDGSA-N	1	0	360.502	1.203	20	30		FDEDRO
Cc1oc(NC(=O)CN2CCC([N@H+]3CCOC[C@@H]3C)CC2)c(C#N)c1C	ZINC000581556713	551104668	/nfs/dbraw/zinc/10/46/68/551104668.db2.gz	OXGRZENEWXHDRY-ZDUSSCGKSA-N	1	0	360.458	1.892	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(-c3cn(C)nn3)c2)CC1	ZINC000581559737	551105003	/nfs/dbraw/zinc/10/50/03/551105003.db2.gz	KLTXNALXZQDLIG-UHFFFAOYSA-N	1	0	368.441	1.187	20	30		FDEDRO
N#Cc1cnn2c1NC[C@H](C[NH2+]C[C@H]1CC[C@@H](c3nc(C4CC4)no3)O1)C2	ZINC000582003414	551161901	/nfs/dbraw/zinc/16/19/01/551161901.db2.gz	IRWLYWFZYPYSAD-GLQYFDAESA-N	1	0	369.429	1.567	20	30		FDEDRO
Cc1nc(C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)ccc1C#N	ZINC000582308496	551205391	/nfs/dbraw/zinc/20/53/91/551205391.db2.gz	CWUXCILHONQNFH-UHFFFAOYSA-N	1	0	365.437	1.798	20	30		FDEDRO
C[C@H]1C[N@H+](CCC[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CCCO1	ZINC000582541735	551238870	/nfs/dbraw/zinc/23/88/70/551238870.db2.gz	GQYSHSBXGBMYAT-PKOBYXMFSA-N	1	0	361.486	1.583	20	30		FDEDRO
C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000582723990	551259855	/nfs/dbraw/zinc/25/98/55/551259855.db2.gz	XKBMNXACPDTWEM-OLZOCXBDSA-N	1	0	372.429	1.764	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@H](n4ccnn4)C3)C2=O)cc1	ZINC000582901718	551279064	/nfs/dbraw/zinc/27/90/64/551279064.db2.gz	GVXLMTVJMLKAFS-ZWKOTPCHSA-N	1	0	350.426	1.982	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNc1nc(C)c(S(N)(=O)=O)s1)C(C)C	ZINC000583036900	551294955	/nfs/dbraw/zinc/29/49/55/551294955.db2.gz	ZSJOVOVJIRTMSE-ZDUSSCGKSA-N	1	0	358.533	2.209	20	30		FDEDRO
CC(C)[N@@H+](C)C[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1	ZINC000583177015	551314241	/nfs/dbraw/zinc/31/42/41/551314241.db2.gz	HGYJHWSSFBYVIW-CQSZACIVSA-N	1	0	366.487	1.024	20	30		FDEDRO
CN(C)C[C@H](Cc1ccccc1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000583589120	551373896	/nfs/dbraw/zinc/37/38/96/551373896.db2.gz	DHRKDXXXIVGUJN-SFHVURJKSA-N	1	0	372.494	1.489	20	30		FDEDRO
CCO[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)[C@]12CCCO2	ZINC000583808293	551404833	/nfs/dbraw/zinc/40/48/33/551404833.db2.gz	JDHKCABHSUZIRY-BFYDXBDKSA-N	1	0	365.455	1.043	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000584167155	551457720	/nfs/dbraw/zinc/45/77/20/551457720.db2.gz	XGHWZWNLDMYACF-HNNXBMFYSA-N	1	0	350.444	1.431	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CC23CCSCC3)nc1	ZINC000584227223	551466867	/nfs/dbraw/zinc/46/68/67/551466867.db2.gz	KPZRXEHAUMBOBA-AWEZNQCLSA-N	1	0	351.497	1.850	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1	ZINC000587248444	551631445	/nfs/dbraw/zinc/63/14/45/551631445.db2.gz	VDCBZOGWGZEMHJ-IRXDYDNUSA-N	1	0	374.460	1.751	20	30		FDEDRO
N#CC1CCN(C(=O)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC1	ZINC000588764928	551684459	/nfs/dbraw/zinc/68/44/59/551684459.db2.gz	ALYWRBSLEUOTDJ-UHFFFAOYSA-N	1	0	360.502	1.911	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](CC(N)=O)C2)cc1	ZINC000588977780	551702620	/nfs/dbraw/zinc/70/26/20/551702620.db2.gz	UUQJHJGVJKSJJC-HNNXBMFYSA-N	1	0	358.442	1.529	20	30		FDEDRO
N#Cc1cccc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)n1	ZINC000589457487	551731581	/nfs/dbraw/zinc/73/15/81/551731581.db2.gz	IHVTUEZFDXKMCG-APWZRJJASA-N	1	0	350.422	1.566	20	30		FDEDRO
C=CCN(CCC#N)C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1	ZINC000590270752	551768394	/nfs/dbraw/zinc/76/83/94/551768394.db2.gz	SKXZKXUFZWOARL-UHFFFAOYSA-N	1	0	371.441	1.444	20	30		FDEDRO
C[NH+](C)C[C@H](CO)NC(=O)c1cccc(COc2cccc(C#N)c2)c1	ZINC000590549598	551790843	/nfs/dbraw/zinc/79/08/43/551790843.db2.gz	LBLCNGVCOVNQIT-GOSISDBHSA-N	1	0	353.422	1.790	20	30		FDEDRO
N#Cc1cc(F)ccc1CS(=O)(=O)N1CCN(c2cc[nH+]cc2)CC1	ZINC000590740973	551809880	/nfs/dbraw/zinc/80/98/80/551809880.db2.gz	PWUGGFHUAJZUQW-UHFFFAOYSA-N	1	0	360.414	1.744	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(C(=O)COc3cccc(Br)c3C#N)[C@H]2C1	ZINC000590765322	551814603	/nfs/dbraw/zinc/81/46/03/551814603.db2.gz	IRAODICSRXGVMQ-RISCZKNCSA-N	1	0	364.243	1.862	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cc1	ZINC000590767957	551815049	/nfs/dbraw/zinc/81/50/49/551815049.db2.gz	UAINJHGCBLLLLG-IEBWSBKVSA-N	1	0	356.470	1.490	20	30		FDEDRO
Cc1nsc(NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)c1C#N	ZINC000590966717	551831048	/nfs/dbraw/zinc/83/10/48/551831048.db2.gz	KWXMPWIPHSAGGC-UHFFFAOYSA-N	1	0	364.475	1.437	20	30		FDEDRO
COC(=O)[C@@H]1CN(Cc2c(C#N)c(C)nn2-c2ccccc2)CC[N@H+](C)C1	ZINC000591045652	551838625	/nfs/dbraw/zinc/83/86/25/551838625.db2.gz	BMHJYLSVLKIPKB-INIZCTEOSA-N	1	0	367.453	1.589	20	30		FDEDRO
N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@H](C[NH3+])C3)cn2)c1	ZINC000591277709	551855493	/nfs/dbraw/zinc/85/54/93/551855493.db2.gz	VYWDVIFMZONMJB-MRXNPFEDSA-N	1	0	353.382	1.937	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC[NH2+]1	ZINC000591295742	551857698	/nfs/dbraw/zinc/85/76/98/551857698.db2.gz	IPQDPBBIWIGOTK-ZDUSSCGKSA-N	1	0	365.393	1.504	20	30		FDEDRO
CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	ZINC000591297469	551857855	/nfs/dbraw/zinc/85/78/55/551857855.db2.gz	GTCUXDVRMJQORE-MRXNPFEDSA-N	1	0	367.409	1.784	20	30		FDEDRO
CC[C@@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)CC[C@@H]1[NH3+]	ZINC000591303813	551859195	/nfs/dbraw/zinc/85/91/95/551859195.db2.gz	COAYELDHWKHVCI-CABCVRRESA-N	1	0	358.442	1.870	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000591350514	551864872	/nfs/dbraw/zinc/86/48/72/551864872.db2.gz	HCJLSYAHJHOEHY-PBHICJAKSA-N	1	0	356.474	1.833	20	30		FDEDRO
C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000591350515	551864931	/nfs/dbraw/zinc/86/49/31/551864931.db2.gz	HCJLSYAHJHOEHY-RHSMWYFYSA-N	1	0	356.474	1.833	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3CCC[NH2+]CC3)C2=O)cc1	ZINC000591356498	551865717	/nfs/dbraw/zinc/86/57/17/551865717.db2.gz	AJGGQVWZXFMCSJ-RDJZCZTQSA-N	1	0	355.442	1.495	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@H]3CCC[C@@H]([NH3+])C3)C2=O)cc1	ZINC000591357138	551865725	/nfs/dbraw/zinc/86/57/25/551865725.db2.gz	QWCPZYSROCGPOK-IKGGRYGDSA-N	1	0	355.442	1.228	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1cccc(C#N)c1	ZINC000591404248	551868097	/nfs/dbraw/zinc/86/80/97/551868097.db2.gz	JHOVCPHKBULMCX-KBXCAEBGSA-N	1	0	354.454	1.726	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O	ZINC000591610443	551884267	/nfs/dbraw/zinc/88/42/67/551884267.db2.gz	KVTCZJFQYNBPDX-ZIAGYGMSSA-N	1	0	368.359	1.948	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]C2CCN(CC(F)F)CC2)c1	ZINC000591728856	551904091	/nfs/dbraw/zinc/90/40/91/551904091.db2.gz	ZVABHVYMSOUNNO-UHFFFAOYSA-N	1	0	357.426	1.651	20	30		FDEDRO
COC(=O)C1CCC([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000591735999	551904752	/nfs/dbraw/zinc/90/47/52/551904752.db2.gz	DGQCTYQQRLWTPG-UHFFFAOYSA-N	1	0	350.440	1.653	20	30		FDEDRO
COc1cccc2c1OC[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)C2	ZINC000591733861	551904825	/nfs/dbraw/zinc/90/48/25/551904825.db2.gz	WGSQXXKTCPRHRU-IRXDYDNUSA-N	1	0	354.406	1.900	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]CCn2c(=O)[nH]c3ccccc32)cc1	ZINC000591749877	551905822	/nfs/dbraw/zinc/90/58/22/551905822.db2.gz	LZZZYMCBTNVYQJ-OAHLLOKOSA-N	1	0	352.394	1.643	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2CCN(c3ccccn3)C2)c1	ZINC000591756935	551906247	/nfs/dbraw/zinc/90/62/47/551906247.db2.gz	IKQBCXYVPGHZAC-INIZCTEOSA-N	1	0	356.451	1.595	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN(S(=O)(=O)Cc1ccc(F)cc1C#N)CCO2	ZINC000592104766	551942568	/nfs/dbraw/zinc/94/25/68/551942568.db2.gz	VPYMBUBLOVGDQH-UHFFFAOYSA-N	1	0	367.446	1.324	20	30		FDEDRO
N#CC[C@@]1(O)CC[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1	ZINC000592154911	551950831	/nfs/dbraw/zinc/95/08/31/551950831.db2.gz	WAZIHYRZVOWNSH-DZGCQCFKSA-N	1	0	373.222	1.678	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2)C1	ZINC000592156245	551951402	/nfs/dbraw/zinc/95/14/02/551951402.db2.gz	VNXXLSHXSHQLJY-XLIONFOSSA-N	1	0	356.470	1.679	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN([C@H]1CCN(c3ccc(C#N)cc3)C1=O)CCO2	ZINC000592185183	551955247	/nfs/dbraw/zinc/95/52/47/551955247.db2.gz	VKWVHFKXPFRIJH-SFHVURJKSA-N	1	0	354.454	1.460	20	30		FDEDRO
C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)N3CC[C@@](O)(CC#N)C3)ccc21	ZINC000592299445	551974472	/nfs/dbraw/zinc/97/44/72/551974472.db2.gz	JHQYOIZOFXJVJP-APWZRJJASA-N	1	0	356.426	1.051	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2cccc(Br)c2C#N)CCO1	ZINC000592374745	551985934	/nfs/dbraw/zinc/98/59/34/551985934.db2.gz	QBSLFJPYFIAMQI-JOYOIKCWSA-N	1	0	374.260	1.057	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(Cl)c1	ZINC000592392899	551988743	/nfs/dbraw/zinc/98/87/43/551988743.db2.gz	GQUFMVFLQZTQAK-CYBMUJFWSA-N	1	0	369.874	1.588	20	30		FDEDRO
N#Cc1cccnc1-n1cc(NC(=O)N[C@H]2CC[NH2+]C23CCCC3)cn1	ZINC000592427304	551993837	/nfs/dbraw/zinc/99/38/37/551993837.db2.gz	ZEJBSYGSWXLUHI-HNNXBMFYSA-N	1	0	351.414	1.935	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])c(F)c1	ZINC000592442430	551996266	/nfs/dbraw/zinc/99/62/66/551996266.db2.gz	POJKCGCCZPNISV-GOSISDBHSA-N	1	0	366.396	1.398	20	30		FDEDRO
C[C@H](CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)[NH+](C)C	ZINC000592749253	552023667	/nfs/dbraw/zinc/02/36/67/552023667.db2.gz	MMPOVMIIQHFHMJ-LLVKDONJSA-N	1	0	365.275	1.823	20	30		FDEDRO
CCCN(C(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[C@H]1CC[N@H+](C)C1	ZINC000592833254	552033631	/nfs/dbraw/zinc/03/36/31/552033631.db2.gz	XNWJOIRGXXXQKU-KRWDZBQOSA-N	1	0	352.442	1.882	20	30		FDEDRO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1CCCN1c1ccc(C#N)cc1	ZINC000592871503	552037339	/nfs/dbraw/zinc/03/73/39/552037339.db2.gz	IXSQMHDEQKFIGI-CRAIPNDOSA-N	1	0	369.469	1.105	20	30		FDEDRO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1	ZINC000592871506	552037470	/nfs/dbraw/zinc/03/74/70/552037470.db2.gz	IXSQMHDEQKFIGI-QAPCUYQASA-N	1	0	369.469	1.105	20	30		FDEDRO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CCCCOc1cccc(C#N)c1	ZINC000592875052	552037743	/nfs/dbraw/zinc/03/77/43/552037743.db2.gz	VNLGKCCBIOVITH-INIZCTEOSA-N	1	0	372.469	1.686	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCN(CC[NH+](C)C)C(=O)C1	ZINC000593052352	552056266	/nfs/dbraw/zinc/05/62/66/552056266.db2.gz	QGLGFBRBKDXGMZ-QGZVFWFLSA-N	1	0	371.485	1.028	20	30		FDEDRO
COCCN1CC(=O)N(C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1=O	ZINC000593233738	552075233	/nfs/dbraw/zinc/07/52/33/552075233.db2.gz	WIKAZQQRZPKHED-UHFFFAOYSA-N	1	0	356.426	1.433	20	30		FDEDRO
COC[C@@]1(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCOC1	ZINC000593348265	552093717	/nfs/dbraw/zinc/09/37/17/552093717.db2.gz	JZFWWHNPRNGOLS-FQEVSTJZSA-N	1	0	357.454	1.692	20	30		FDEDRO
CCOC(=O)C1(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1	ZINC000593350210	552094370	/nfs/dbraw/zinc/09/43/70/552094370.db2.gz	CIZQBJWZGFQUJP-UHFFFAOYSA-N	1	0	355.438	1.982	20	30		FDEDRO
N#Cc1cccc2c1CN(C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C2	ZINC000593351488	552094490	/nfs/dbraw/zinc/09/44/90/552094490.db2.gz	YPOSQWJADXUQHE-MRXNPFEDSA-N	1	0	355.442	1.171	20	30		FDEDRO
Cn1cccc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1=O	ZINC000593354537	552094797	/nfs/dbraw/zinc/09/47/97/552094797.db2.gz	QUEZQYBRRFUGGG-UHFFFAOYSA-N	1	0	350.422	1.651	20	30		FDEDRO
COCC(COC)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593412883	552104667	/nfs/dbraw/zinc/10/46/67/552104667.db2.gz	YPNPEEABQMTNIB-UHFFFAOYSA-N	1	0	360.458	1.483	20	30		FDEDRO
C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[C@@H]1O	ZINC000593515027	552120595	/nfs/dbraw/zinc/12/05/95/552120595.db2.gz	FCQXUNRERKLOOE-BEFAXECRSA-N	1	0	356.470	1.935	20	30		FDEDRO
COc1cc(OC)nc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1	ZINC000593515711	552121068	/nfs/dbraw/zinc/12/10/68/552121068.db2.gz	RJFSTZQMQJGJPY-UHFFFAOYSA-N	1	0	353.426	2.442	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCC(C)(C)C[NH+](C)C	ZINC000593524501	552122396	/nfs/dbraw/zinc/12/23/96/552122396.db2.gz	LKWUXSMHDDEGHF-UHFFFAOYSA-N	1	0	353.444	1.211	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000593553986	552131878	/nfs/dbraw/zinc/13/18/78/552131878.db2.gz	VVDMMMGWGVHGNJ-AAEUAGOBSA-N	1	0	351.428	1.106	20	30		FDEDRO
N#Cc1sccc1S(=O)(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000593564439	552135601	/nfs/dbraw/zinc/13/56/01/552135601.db2.gz	RFJFNBHMULKVFV-ZIAGYGMSSA-N	1	0	369.512	1.666	20	30		FDEDRO
CC[N@H+](CCCNC(=O)C(=O)N=c1ccn(CCC#N)[nH]1)C1CCCCC1	ZINC000593680453	552172363	/nfs/dbraw/zinc/17/23/63/552172363.db2.gz	XAQWFFBJYIXJRY-UHFFFAOYSA-N	1	0	374.489	1.896	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1	ZINC000593732918	552186467	/nfs/dbraw/zinc/18/64/67/552186467.db2.gz	RHEMKBUMTDVTGJ-GVDBMIGSSA-N	1	0	363.483	1.916	20	30		FDEDRO
N#Cc1cccc2c1CN(C(=O)C(=O)Nc1ccc3c(c1F)CC[NH2+]C3)C2	ZINC000593775698	552195981	/nfs/dbraw/zinc/19/59/81/552195981.db2.gz	JGQCOAXAZUHIQS-UHFFFAOYSA-N	1	0	364.380	1.824	20	30		FDEDRO
CCCNC(=O)CCC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593882307	552216429	/nfs/dbraw/zinc/21/64/29/552216429.db2.gz	HFYONTPLMKUIIO-UHFFFAOYSA-N	1	0	356.470	1.945	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H](O)C3CCOCC3)CC2)c1	ZINC000593882714	552216446	/nfs/dbraw/zinc/21/64/46/552216446.db2.gz	KYEWQHOWXNJZMD-IBGZPJMESA-N	1	0	357.454	1.426	20	30		FDEDRO
CCCC[C@H](NC(N)=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593884183	552216725	/nfs/dbraw/zinc/21/67/25/552216725.db2.gz	UNGPHYCYGDLBAZ-SFHVURJKSA-N	1	0	371.485	1.866	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CCc4nncn4C3)CC2)c1	ZINC000593886960	552217903	/nfs/dbraw/zinc/21/79/03/552217903.db2.gz	VVKZLIUFPSQBQQ-KRWDZBQOSA-N	1	0	364.453	1.493	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)Cc2c(C)nn(CC3CC3)c2C)c1C#N	ZINC000593893933	552219311	/nfs/dbraw/zinc/21/93/11/552219311.db2.gz	PBOIZOIHEZWERS-UHFFFAOYSA-N	1	0	369.473	1.838	20	30		FDEDRO
Cc1cc2c(cc1C#N)[nH]nc2NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C	ZINC000593916324	552225222	/nfs/dbraw/zinc/22/52/22/552225222.db2.gz	HLPUUMRPKDCOPG-ZXYWRSMDSA-N	1	0	353.426	2.214	20	30		FDEDRO
C[C@H]1COCCN1C1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000593990266	552235386	/nfs/dbraw/zinc/23/53/86/552235386.db2.gz	AADGXDDLWODPEA-FXAWDEMLSA-N	1	0	373.497	1.677	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN(C[C@@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000594000419	552236221	/nfs/dbraw/zinc/23/62/21/552236221.db2.gz	VKVJZUUGYIOJAG-GOSISDBHSA-N	1	0	361.486	1.317	20	30		FDEDRO
CC[C@H](C#N)N(C)C(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C	ZINC000594090818	552248017	/nfs/dbraw/zinc/24/80/17/552248017.db2.gz	WTLCMJBCTBIXTH-OAHLLOKOSA-N	1	0	352.442	1.938	20	30		FDEDRO
C[C@H](CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)N1C[C@@H](C)O[C@@H](C)C1	ZINC000594100394	552248668	/nfs/dbraw/zinc/24/86/68/552248668.db2.gz	YSBARDMVJMEANR-OAFZBRQQSA-N	1	0	354.454	1.854	20	30		FDEDRO
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1	ZINC000594256307	552271690	/nfs/dbraw/zinc/27/16/90/552271690.db2.gz	QEFHZTGTSPXMQF-OTWHNJEPSA-N	1	0	355.486	1.746	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1	ZINC000594311615	552284771	/nfs/dbraw/zinc/28/47/71/552284771.db2.gz	HUJLCMSKZBBVAD-KFWWJZLASA-N	1	0	358.442	1.419	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000594323909	552287968	/nfs/dbraw/zinc/28/79/68/552287968.db2.gz	SSCUFVRVDUQKNC-LPHOPBHVSA-N	1	0	368.481	1.502	20	30		FDEDRO
C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)[C@H]([NH3+])CCCCC#N	ZINC000594425292	552308050	/nfs/dbraw/zinc/30/80/50/552308050.db2.gz	HICKJAYZFQMOTL-IUODEOHRSA-N	1	0	352.460	1.265	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)NCCNc1ccc(-c2ccccc2)nn1	ZINC000594440370	552310893	/nfs/dbraw/zinc/31/08/93/552310893.db2.gz	YLEQPCVEKWPQOA-INIZCTEOSA-N	1	0	352.442	2.083	20	30		FDEDRO
Cc1ccc([C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)N2CCOCC2)cc1	ZINC000594440915	552310993	/nfs/dbraw/zinc/31/09/93/552310993.db2.gz	JFYLOYLWVOJGBL-OALUTQOASA-N	1	0	358.486	1.896	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1	ZINC000594441025	552311194	/nfs/dbraw/zinc/31/11/94/552311194.db2.gz	LEJNGURGNRLVMV-IAGOWNOFSA-N	1	0	357.458	1.486	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N1CCN(Cc2cn3ccccc3n2)CC1	ZINC000594441103	552311292	/nfs/dbraw/zinc/31/12/92/552311292.db2.gz	MVFKTOISXOLHFA-KRWDZBQOSA-N	1	0	354.458	1.390	20	30		FDEDRO
CC(=O)N1CCN(Cc2cccc(NC(=O)[C@H]([NH3+])CCCCC#N)c2)CC1	ZINC000594445413	552311673	/nfs/dbraw/zinc/31/16/73/552311673.db2.gz	KDNSWBRJBZYVBD-LJQANCHMSA-N	1	0	371.485	1.700	20	30		FDEDRO
COc1ccc(OC)c(CN2CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC2)c1	ZINC000594445569	552312200	/nfs/dbraw/zinc/31/22/00/552312200.db2.gz	HXSAGCHVXJMZSW-SFHVURJKSA-N	1	0	374.485	1.759	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F	ZINC000594532742	552329576	/nfs/dbraw/zinc/32/95/76/552329576.db2.gz	TZPHZKLCFQVDQG-SKDRFNHKSA-N	1	0	374.388	1.883	20	30		FDEDRO
CC(=O)NCc1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cc1	ZINC000594717681	552362573	/nfs/dbraw/zinc/36/25/73/552362573.db2.gz	DYDHHGGXONYHLP-UHFFFAOYSA-N	1	0	371.462	1.758	20	30		FDEDRO
C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(F)cc1C#N	ZINC000594803989	552390896	/nfs/dbraw/zinc/39/08/96/552390896.db2.gz	SYTHCGUOJVZLOG-ZDUSSCGKSA-N	1	0	356.467	1.248	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1	ZINC000595089237	552448591	/nfs/dbraw/zinc/44/85/91/552448591.db2.gz	GBJVSHQSDRHEHJ-CQSZACIVSA-N	1	0	358.442	1.884	20	30		FDEDRO
C[NH+](C)CCn1cc(NC(=O)C(=O)NC(C)(C)c2cccc(C#N)c2)cn1	ZINC000595111154	552454233	/nfs/dbraw/zinc/45/42/33/552454233.db2.gz	RGDIDACANKUSSU-UHFFFAOYSA-N	1	0	368.441	1.306	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCC23CC(C2)C[NH2+]3)cc1Br	ZINC000595119958	552457156	/nfs/dbraw/zinc/45/71/56/552457156.db2.gz	CJPSWUIKCOPMFI-UHFFFAOYSA-N	1	0	356.245	1.351	20	30		FDEDRO
C[C@@H](CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)[NH+](C)C	ZINC000595126468	552459523	/nfs/dbraw/zinc/45/95/23/552459523.db2.gz	YJKXOINJIXDLKW-JTQLQIEISA-N	1	0	367.247	1.716	20	30		FDEDRO
CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000595149998	552468479	/nfs/dbraw/zinc/46/84/79/552468479.db2.gz	BSGILUZUEYTPES-UHFFFAOYSA-N	1	0	352.341	1.118	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1	ZINC000595176659	552478634	/nfs/dbraw/zinc/47/86/34/552478634.db2.gz	SSCHLJXZBYVOMC-INIZCTEOSA-N	1	0	353.532	1.602	20	30		FDEDRO
N#Cc1c(N)n[nH]c1CCCNC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1	ZINC000595234923	552500752	/nfs/dbraw/zinc/50/07/52/552500752.db2.gz	OPVKDTOUSNFMGZ-INIZCTEOSA-N	1	0	369.429	1.279	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000595235967	552501228	/nfs/dbraw/zinc/50/12/28/552501228.db2.gz	LZOAPVNFHWMMDC-OAHLLOKOSA-N	1	0	374.441	1.075	20	30		FDEDRO
C[C@@H](C#N)CN(C(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C1CC1	ZINC000595238302	552502039	/nfs/dbraw/zinc/50/20/39/552502039.db2.gz	CLELRJZHSQHVRA-SUMWQHHRSA-N	1	0	356.426	1.437	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)c1	ZINC000595239128	552502366	/nfs/dbraw/zinc/50/23/66/552502366.db2.gz	OORMMHAQUQZDNT-GOSISDBHSA-N	1	0	364.405	1.991	20	30		FDEDRO
C[C@@]1(C#N)CCN(C(=O)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1	ZINC000595241709	552503145	/nfs/dbraw/zinc/50/31/45/552503145.db2.gz	HQJIRTFRILFJPU-HNNXBMFYSA-N	1	0	354.332	1.865	20	30		FDEDRO
C=CCCSCCNC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000595270068	552508923	/nfs/dbraw/zinc/50/89/23/552508923.db2.gz	BSFMKJZNZIUFRN-HOTGVXAUSA-N	1	0	368.547	1.586	20	30		FDEDRO
CC[C@@H]([NH3+])CNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595274025	552509790	/nfs/dbraw/zinc/50/97/90/552509790.db2.gz	ONZNAQQTHHWNOW-MRXNPFEDSA-N	1	0	367.457	1.517	20	30		FDEDRO
N#Cc1ccc(CC[NH+]2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1	ZINC000595374930	552540904	/nfs/dbraw/zinc/54/09/04/552540904.db2.gz	HTQXNTGMYJAJGG-UHFFFAOYSA-N	1	0	373.464	1.894	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@H]1CCCN(C(=O)C(C)(C)C)C1	ZINC000595399441	552549261	/nfs/dbraw/zinc/54/92/61/552549261.db2.gz	WTNSGHDENDNNKM-CQSZACIVSA-N	1	0	360.506	2.013	20	30		FDEDRO
CN(C(=O)CN1CCC[C@H]([NH+]2CCOCC2)CC1)C1(C#N)CCCCC1	ZINC000595468947	552567452	/nfs/dbraw/zinc/56/74/52/552567452.db2.gz	FBZBCYRXAMWOSA-SFHVURJKSA-N	1	0	362.518	1.858	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC=C(c2cn(C(C)C)nn2)CC1	ZINC000595519237	552577633	/nfs/dbraw/zinc/57/76/33/552577633.db2.gz	WAKVMGXKWOMFGO-AWEZNQCLSA-N	1	0	360.462	1.739	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(c2ccsc2C#N)CC1	ZINC000595555790	552584038	/nfs/dbraw/zinc/58/40/38/552584038.db2.gz	UPHIGEZSNWTRDG-HIFRSBDPSA-N	1	0	359.499	1.934	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@@H](CO)C2CCC2)CC1	ZINC000595617001	552593581	/nfs/dbraw/zinc/59/35/81/552593581.db2.gz	PXVIAMPGFZCZGN-JKSUJKDBSA-N	1	0	362.499	1.208	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C	ZINC000595663899	552599732	/nfs/dbraw/zinc/59/97/32/552599732.db2.gz	NGIPNDZITQMUEX-HUUCEWRRSA-N	1	0	371.489	1.441	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1	ZINC000595745700	552610137	/nfs/dbraw/zinc/61/01/37/552610137.db2.gz	ZJIFRMYVGZATQA-SOLBZPMBSA-N	1	0	354.454	1.922	20	30		FDEDRO
CN(C)C(=O)N(C)[C@H]1CC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000595823161	552619929	/nfs/dbraw/zinc/61/99/29/552619929.db2.gz	HELSYZLTCRRUKP-IRXDYDNUSA-N	1	0	360.458	1.180	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)CC1	ZINC000595833856	552621301	/nfs/dbraw/zinc/62/13/01/552621301.db2.gz	SHXUUHSIZKLILQ-IXDOHACOSA-N	1	0	374.510	1.425	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)C2=O)cc1	ZINC000595862836	552625126	/nfs/dbraw/zinc/62/51/26/552625126.db2.gz	HNPRMCMPDJNYPJ-RTBURBONSA-N	1	0	354.454	1.195	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(C[C@H](O)COc2ccc(CC#N)cc2)CCO1	ZINC000595904525	552631408	/nfs/dbraw/zinc/63/14/08/552631408.db2.gz	FDSKITWAAKOAIV-AZUAARDMSA-N	1	0	361.486	1.535	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](NC3CC[NH+]([C@@H]4CCOC4)CC3)C2=O)cc1	ZINC000596047322	552649489	/nfs/dbraw/zinc/64/94/89/552649489.db2.gz	PKFJHPIFNPCCNN-RTBURBONSA-N	1	0	354.454	1.506	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]CC2(CC(N)=O)CCCCC2)cc1	ZINC000596071014	552652129	/nfs/dbraw/zinc/65/21/29/552652129.db2.gz	VWRDQHBARGGJNI-QGZVFWFLSA-N	1	0	359.470	1.908	20	30		FDEDRO
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N[C@]2(C)CC[NH2+]C2)c1C	ZINC000596128369	552658228	/nfs/dbraw/zinc/65/82/28/552658228.db2.gz	GJGNEWYUKTUJIU-LJQANCHMSA-N	1	0	366.425	1.168	20	30		FDEDRO
C=CC[N@H+](C[C@@H](O)Cn1cccn1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000596213394	552665422	/nfs/dbraw/zinc/66/54/22/552665422.db2.gz	KHYIQTVFMQFVQP-CRAIPNDOSA-N	1	0	353.430	1.469	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)ncc1C#N	ZINC000596568912	552689809	/nfs/dbraw/zinc/68/98/09/552689809.db2.gz	FUFMGFGXOXNEOE-HNNXBMFYSA-N	1	0	355.442	1.438	20	30		FDEDRO
COc1cc(CNC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)ccc1C#N	ZINC000596605844	552693758	/nfs/dbraw/zinc/69/37/58/552693758.db2.gz	WJJKPDHWPAYRSO-QGZVFWFLSA-N	1	0	360.458	1.819	20	30		FDEDRO
C[NH+]1CCN(C[C@H](NC(=O)CC2(C#N)CCOCC2)c2ccccc2)CC1	ZINC000597115967	552749110	/nfs/dbraw/zinc/74/91/10/552749110.db2.gz	AMQPFRUPKQVNDL-IBGZPJMESA-N	1	0	370.497	1.802	20	30		FDEDRO
COc1ccc(N2C[C@@H]([NH2+]Cc3cnc4c(C#N)cnn4c3)CC2=O)cc1	ZINC000597194162	552759565	/nfs/dbraw/zinc/75/95/65/552759565.db2.gz	ZGGJNOZOMXEWIU-HNNXBMFYSA-N	1	0	362.393	1.505	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000597218593	552761997	/nfs/dbraw/zinc/76/19/97/552761997.db2.gz	XYOIOQUYZOKAEW-XHSDSOJGSA-N	1	0	355.548	1.895	20	30		FDEDRO
C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1	ZINC000597255566	552765794	/nfs/dbraw/zinc/76/57/94/552765794.db2.gz	OYKXDLHVZYKKIZ-HOTGVXAUSA-N	1	0	356.470	1.972	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)c1cccc(C#N)c1	ZINC000597257020	552766145	/nfs/dbraw/zinc/76/61/45/552766145.db2.gz	ZZPPUYBVNILDEH-OAHLLOKOSA-N	1	0	368.481	1.974	20	30		FDEDRO
N#CCCCCNC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1	ZINC000597433352	552788426	/nfs/dbraw/zinc/78/84/26/552788426.db2.gz	IGTPKAFYTCYJQC-HNNXBMFYSA-N	1	0	359.478	1.402	20	30		FDEDRO
C[C@H](CC#N)C(=O)NCCN(CC[NH+]1CCCCC1)C(=O)[C@@H](C)CC#N	ZINC000597643774	552817134	/nfs/dbraw/zinc/81/71/34/552817134.db2.gz	RWBSWIYDXLPHTB-SJORKVTESA-N	1	0	361.490	1.517	20	30		FDEDRO
N#Cc1cc(O)cc(C(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1	ZINC000597989689	552853057	/nfs/dbraw/zinc/85/30/57/552853057.db2.gz	HOLVUVZMHUHFHI-GOSISDBHSA-N	1	0	351.406	1.760	20	30		FDEDRO
C[N@H+](Cc1ccc2nc(NC(=O)Cn3cnc(C#N)n3)sc2c1)C1CC1	ZINC000598027097	552858790	/nfs/dbraw/zinc/85/87/90/552858790.db2.gz	JGHTVERWEZWCNY-UHFFFAOYSA-N	1	0	367.438	1.992	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccccc1OCCN1CCOCC1	ZINC000598719411	552928044	/nfs/dbraw/zinc/92/80/44/552928044.db2.gz	HWNUEIGALCEDMW-SFHVURJKSA-N	1	0	361.486	1.788	20	30		FDEDRO
CCC[N@H+](C)CC(C)(C)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1	ZINC000598776528	552933099	/nfs/dbraw/zinc/93/30/99/552933099.db2.gz	MXFWFXFMKGLHMC-UHFFFAOYSA-N	1	0	366.487	1.073	20	30		FDEDRO
CN(CCOCC[NH3+])S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000599109993	552969017	/nfs/dbraw/zinc/96/90/17/552969017.db2.gz	BICXTGSFTIYLBY-UHFFFAOYSA-N	1	0	351.350	1.173	20	30		FDEDRO
N#Cc1ccc(CN2CC[NH+](C[C@H](O)CC3(C#N)CCOCC3)CC2)cc1	ZINC000599261377	553007262	/nfs/dbraw/zinc/00/72/62/553007262.db2.gz	PUORCCDRJREGLV-HXUWFJFHSA-N	1	0	368.481	1.747	20	30		FDEDRO
COC(=O)CC[N@H+](C[C@H](O)CC1(C#N)CCOCC1)C[C@H]1CCCO1	ZINC000599294472	553018413	/nfs/dbraw/zinc/01/84/13/553018413.db2.gz	DVKHNQHGJNRUSI-HZPDHXFCSA-N	1	0	354.447	1.102	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)CCOCC1	ZINC000599320015	553025325	/nfs/dbraw/zinc/02/53/25/553025325.db2.gz	PRHGDQUKAFGEBY-KBPBESRZSA-N	1	0	350.381	1.693	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)COCc2ocnc2C(=O)OC)CC1	ZINC000599362324	553036406	/nfs/dbraw/zinc/03/64/06/553036406.db2.gz	JQMSKDSVROAENX-UHFFFAOYSA-N	1	0	351.403	1.135	20	30		FDEDRO
CC(=O)NCC[N@@H+](Cc1ccsc1)C[C@H](O)CC1(C#N)CCOCC1	ZINC000599400881	553046726	/nfs/dbraw/zinc/04/67/26/553046726.db2.gz	GUVDSXWMVGUBTE-QGZVFWFLSA-N	1	0	365.499	1.758	20	30		FDEDRO
COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2C[C@@H](O)COc2ccccc2C#N)O1	ZINC000599404626	553048217	/nfs/dbraw/zinc/04/82/17/553048217.db2.gz	MSOBDQQRJHIAHJ-NFBPCRFFSA-N	1	0	374.437	1.481	20	30		FDEDRO
COC(=O)[C@H]1CSCC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1	ZINC000599437879	553056537	/nfs/dbraw/zinc/05/65/37/553056537.db2.gz	UILFKUQCLFVZIR-HUUCEWRRSA-N	1	0	350.440	1.136	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H](C1CCOCC1)C1(CO)CCC1	ZINC000599439748	553057215	/nfs/dbraw/zinc/05/72/15/553057215.db2.gz	DNOBVQQOLNQOBS-QUCCMNQESA-N	1	0	374.481	1.845	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C	ZINC000599442208	553058213	/nfs/dbraw/zinc/05/82/13/553058213.db2.gz	QOAYTZHVDXTHEC-FUHWJXTLSA-N	1	0	364.515	1.967	20	30		FDEDRO
COC(=O)[C@@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C[C@H]1c1ccccc1	ZINC000599451259	553060504	/nfs/dbraw/zinc/06/05/04/553060504.db2.gz	UXUQPXHHDAAMOT-GBESFXJTSA-N	1	0	372.465	1.946	20	30		FDEDRO
N#Cc1cccc(-c2nnc(CN3CCC([NH+]4CCOCC4)CC3)o2)c1	ZINC000599474253	553068015	/nfs/dbraw/zinc/06/80/15/553068015.db2.gz	MFETYZYPQIWZNV-UHFFFAOYSA-N	1	0	353.426	1.905	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)CC1(C)COC1	ZINC000599571354	553092144	/nfs/dbraw/zinc/09/21/44/553092144.db2.gz	DMYPWXNITUWQBV-HNNXBMFYSA-N	1	0	362.499	1.425	20	30		FDEDRO
N#CCCCN1C(=O)CCc2cc(NC(=O)NC[C@@H]3COCC[NH2+]3)ccc21	ZINC000599606957	553101900	/nfs/dbraw/zinc/10/19/00/553101900.db2.gz	RZSXQZIRFMNYRT-MRXNPFEDSA-N	1	0	371.441	1.379	20	30		FDEDRO
N#Cc1ccc(C2([NH2+]C[C@H](O)COC[C@@H]3CCCO3)CCOCC2)cc1	ZINC000599629932	553107993	/nfs/dbraw/zinc/10/79/93/553107993.db2.gz	BWPUKHZZWDUOLS-OALUTQOASA-N	1	0	360.454	1.710	20	30		FDEDRO
C[C@](C#N)(NC(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1)C1CC1	ZINC000599633080	553109247	/nfs/dbraw/zinc/10/92/47/553109247.db2.gz	XREROZRFCISXSW-LJQANCHMSA-N	1	0	352.438	1.962	20	30		FDEDRO
COC(=O)[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)[C@H]2CCC[C@@H]21	ZINC000599654816	553113727	/nfs/dbraw/zinc/11/37/27/553113727.db2.gz	SAXKAIFMQAPJIR-AITUJVMLSA-N	1	0	358.438	1.962	20	30		FDEDRO
COC(=O)[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)[C@@H]2CCC[C@@H]21	ZINC000599654818	553114117	/nfs/dbraw/zinc/11/41/17/553114117.db2.gz	SAXKAIFMQAPJIR-JCHJZTRSSA-N	1	0	358.438	1.962	20	30		FDEDRO
C[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C[C@H]1C[C@@H](O)C1	ZINC000599656499	553114538	/nfs/dbraw/zinc/11/45/38/553114538.db2.gz	WESNUTFZBBHFCU-IPELMVKDSA-N	1	0	374.460	1.237	20	30		FDEDRO
COC(=O)[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)[C@@H]2CCC[C@@H]21	ZINC000599660602	553115722	/nfs/dbraw/zinc/11/57/22/553115722.db2.gz	RETREPLTOMCDGL-KZNAEPCWSA-N	1	0	355.438	1.838	20	30		FDEDRO
CNS(=O)(=O)C[C@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)C1	ZINC000599692961	553123091	/nfs/dbraw/zinc/12/30/91/553123091.db2.gz	MAUAPMHBSOMDNQ-INIZCTEOSA-N	1	0	351.472	1.588	20	30		FDEDRO
N#Cc1ccc(Cc2cnc(NC(=O)NCC[N@H+]3CC[C@H](O)C3)s2)cc1	ZINC000599714244	553128188	/nfs/dbraw/zinc/12/81/88/553128188.db2.gz	IXRKXVWKLHEVRT-HNNXBMFYSA-N	1	0	371.466	1.794	20	30		FDEDRO
N#Cc1cc(Oc2ccc(NC(=O)NCC[N@H+]3CC[C@@H](O)C3)cc2)ccn1	ZINC000599786630	553147093	/nfs/dbraw/zinc/14/70/93/553147093.db2.gz	JAKDOBUCOHARHZ-MRXNPFEDSA-N	1	0	367.409	1.934	20	30		FDEDRO
CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)Nc1ccc(C#N)c(F)c1	ZINC000599788728	553147788	/nfs/dbraw/zinc/14/77/88/553147788.db2.gz	UBEMLNDZKABABR-SFHVURJKSA-N	1	0	362.405	1.435	20	30		FDEDRO
COc1cc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c(F)cc1C#N	ZINC000599815709	553154450	/nfs/dbraw/zinc/15/44/50/553154450.db2.gz	BEAOOKJVHUFURO-ZDUSSCGKSA-N	1	0	362.405	1.892	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1	ZINC000599900996	553171276	/nfs/dbraw/zinc/17/12/76/553171276.db2.gz	WOSBNUUHKVVZGH-CHWSQXEVSA-N	1	0	368.359	1.791	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1	ZINC000599901086	553171569	/nfs/dbraw/zinc/17/15/69/553171569.db2.gz	ZQYGDWCGJROGDG-BGYRXZFFSA-N	1	0	370.453	1.742	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CCCCC1	ZINC000599957414	553185455	/nfs/dbraw/zinc/18/54/55/553185455.db2.gz	SVFZNXBBXXHQGV-STQMWFEESA-N	1	0	374.407	1.562	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c(F)cc1C#N	ZINC000599973135	553189935	/nfs/dbraw/zinc/18/99/35/553189935.db2.gz	QEEIACNECOCQAP-XHDPSFHLSA-N	1	0	362.405	1.443	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c(F)cc1C#N	ZINC000599976396	553190599	/nfs/dbraw/zinc/19/05/99/553190599.db2.gz	ANXPQAZTFQZJQC-GXTWGEPZSA-N	1	0	374.416	1.730	20	30		FDEDRO
C[C@@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@H]1CCC(=O)N1	ZINC000600081143	553214878	/nfs/dbraw/zinc/21/48/78/553214878.db2.gz	JSIQJGLVXZPEQT-RDTXWAMCSA-N	1	0	354.454	1.554	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]Cc2ccc(CN3CCOCC3)cc2)CCOCC1	ZINC000600714093	553305958	/nfs/dbraw/zinc/30/59/58/553305958.db2.gz	IZOFSLHEOAPYOT-FQEVSTJZSA-N	1	0	373.497	1.680	20	30		FDEDRO
CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]C[C@H](O)CC1(C#N)CC1	ZINC000600716888	553306366	/nfs/dbraw/zinc/30/63/66/553306366.db2.gz	HWXXBQFJSYHZAQ-QGZVFWFLSA-N	1	0	365.499	1.659	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]CCNC(=O)c2ccc(Cl)cc2)CCOCC1	ZINC000600720293	553306825	/nfs/dbraw/zinc/30/68/25/553306825.db2.gz	YEQLGOADZNQQLO-INIZCTEOSA-N	1	0	365.861	1.731	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]CCCNC(=O)c1ccccc1	ZINC000600723053	553306997	/nfs/dbraw/zinc/30/69/97/553306997.db2.gz	MCUWVCQVQHMGCC-GOSISDBHSA-N	1	0	353.422	1.708	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]CCCNC(=O)c1cccc(F)c1	ZINC000600728160	553308539	/nfs/dbraw/zinc/30/85/39/553308539.db2.gz	SBLXFBXPSSAFLR-GOSISDBHSA-N	1	0	371.412	1.847	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)CCOCC1	ZINC000600737702	553309189	/nfs/dbraw/zinc/30/91/89/553309189.db2.gz	IGSYYJQTQXSSEQ-FUHWJXTLSA-N	1	0	350.434	1.638	20	30		FDEDRO
C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]C[C@@H](O)CC1(C#N)CC1	ZINC000600741479	553309527	/nfs/dbraw/zinc/30/95/27/553309527.db2.gz	OKNNVKPXPLANLL-CABCVRRESA-N	1	0	351.472	1.388	20	30		FDEDRO
C[S@](=O)Cc1ccc(C[NH2+]C[C@H](O)COc2ccccc2C#N)cc1	ZINC000600741554	553309594	/nfs/dbraw/zinc/30/95/94/553309594.db2.gz	PDMZPOLGRCRVIA-BVZFJXPGSA-N	1	0	358.463	1.966	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]CCc2cnc3c(Cl)cnn3c2)CCOCC1	ZINC000600740411	553309650	/nfs/dbraw/zinc/30/96/50/553309650.db2.gz	VBKSSLUQHWWBOI-CQSZACIVSA-N	1	0	363.849	1.586	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21	ZINC000600740471	553309717	/nfs/dbraw/zinc/30/97/17/553309717.db2.gz	VKMRZJLGOCSWNY-HZPDHXFCSA-N	1	0	372.446	1.459	20	30		FDEDRO
Cc1cc(C[NH2+]C[C@H](O)COc2ccccc2C#N)nc(N2CCCC2)n1	ZINC000600739485	553309728	/nfs/dbraw/zinc/30/97/28/553309728.db2.gz	PYMFHWFQCCTIQD-SFHVURJKSA-N	1	0	367.453	1.786	20	30		FDEDRO
C[C@@](O)(C[C@H](O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)C1CC1	ZINC000600846260	553321621	/nfs/dbraw/zinc/32/16/21/553321621.db2.gz	OTZPGBVWTIZSJB-LEWJYISDSA-N	1	0	357.498	1.978	20	30		FDEDRO
COCC[NH2+]Cc1ccn(Cc2cn(-c3ccc(Cl)cc3C#N)nn2)n1	ZINC000600976357	553333758	/nfs/dbraw/zinc/33/37/58/553333758.db2.gz	QUJQZKGFINISCM-UHFFFAOYSA-N	1	0	371.832	1.773	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(Nc3c(C#N)nnc4ccccc43)CC2)C1=O	ZINC000601176159	553356598	/nfs/dbraw/zinc/35/65/98/553356598.db2.gz	GWTXUXHFMUNXFK-QGZVFWFLSA-N	1	0	350.426	1.608	20	30		FDEDRO
Cc1cc(F)cc(C#N)c1S(=O)(=O)N(C)CCC[N@@H+](C)CCN(C)C	ZINC000601417318	553399719	/nfs/dbraw/zinc/39/97/19/553399719.db2.gz	ORRAESRNYHBPIH-UHFFFAOYSA-N	1	0	370.494	1.510	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)c1cnn(CC[NH+](C)C)c1	ZINC000601434211	553404832	/nfs/dbraw/zinc/40/48/32/553404832.db2.gz	MZFFBHYWRFNEFS-UHFFFAOYSA-N	1	0	357.414	1.594	20	30		FDEDRO
N#CCCN1CCN(C(=O)NCCN2CCN(c3ccccc3)CC2)CC1	ZINC000601563937	553436029	/nfs/dbraw/zinc/43/60/29/553436029.db2.gz	WZPRGKVAYQOTGY-UHFFFAOYSA-N	1	0	370.501	1.049	20	30		FDEDRO
C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cc(F)cc(C#N)c1	ZINC000602021916	553502410	/nfs/dbraw/zinc/50/24/10/553502410.db2.gz	KWYKMLPKXXNMFP-INIZCTEOSA-N	1	0	362.405	1.205	20	30		FDEDRO
C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)N3CCN(CCC#N)CC3)ccc21	ZINC000602079630	553515300	/nfs/dbraw/zinc/51/53/00/553515300.db2.gz	FFATUQMSVIRIBT-SFHVURJKSA-N	1	0	369.469	1.232	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)CCO1	ZINC000602099736	553519160	/nfs/dbraw/zinc/51/91/60/553519160.db2.gz	YJPRPAPLYSKKKX-WSTZPKSXSA-N	1	0	355.438	1.276	20	30		FDEDRO
COCCOCC[N@H+](C)CCC(=O)N1CCc2c(CC#N)cccc2C1	ZINC000602193603	553536860	/nfs/dbraw/zinc/53/68/60/553536860.db2.gz	HOLIHIQDFDBJAO-UHFFFAOYSA-N	1	0	359.470	1.622	20	30		FDEDRO
N#CCCN1CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC1	ZINC000602207749	553540051	/nfs/dbraw/zinc/54/00/51/553540051.db2.gz	DYDAQXOTYJGUQJ-UHFFFAOYSA-N	1	0	369.513	1.647	20	30		FDEDRO
CN1C2(CCC2)COC[C@]1(CO)CNC(=O)NCC1CCC(C#N)CC1	ZINC000602305020	553560532	/nfs/dbraw/zinc/56/05/32/553560532.db2.gz	FSTILJSDIZKBTJ-LADRWXRNSA-N	1	0	364.490	1.231	20	30		FDEDRO
COc1ccc(C(=O)NCCN2CC[NH+](C[C@@H](C)CCC#N)CC2)cc1	ZINC000602469647	553588121	/nfs/dbraw/zinc/58/81/21/553588121.db2.gz	VEBZCDPGZPMAPW-KRWDZBQOSA-N	1	0	358.486	1.982	20	30		FDEDRO
CC[NH2+][C@@H](C)C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000602525096	553598441	/nfs/dbraw/zinc/59/84/41/553598441.db2.gz	MKRSUWSNMHYYSI-AWEZNQCLSA-N	1	0	352.442	1.595	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+]Cc3cc4c(cn3)OCCO4)CC2)nc1	ZINC000602529389	553599694	/nfs/dbraw/zinc/59/96/94/553599694.db2.gz	FPGPDMBGUQFEQL-UHFFFAOYSA-N	1	0	351.410	1.878	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+]CCS(=O)(=O)NCc1ccccc1	ZINC000602530013	553599828	/nfs/dbraw/zinc/59/98/28/553599828.db2.gz	SMUXUIVFUGGCRP-MRXNPFEDSA-N	1	0	365.499	1.795	20	30		FDEDRO
C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000602628541	553614402	/nfs/dbraw/zinc/61/44/02/553614402.db2.gz	BEIBFGVNQXMVMD-JLSDUUJJSA-N	1	0	354.454	1.696	20	30		FDEDRO
C[C@H](C[C@H]1CCCC(=O)N1)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000602628547	553614501	/nfs/dbraw/zinc/61/45/01/553614501.db2.gz	BEIBFGVNQXMVMD-ZTFGCOKTSA-N	1	0	354.454	1.696	20	30		FDEDRO
N#Cc1ccc(NC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)cc1	ZINC000602767665	553633863	/nfs/dbraw/zinc/63/38/63/553633863.db2.gz	RVVIIDSYCBVSCA-GOSISDBHSA-N	1	0	357.458	1.476	20	30		FDEDRO
CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1	ZINC000602858564	553652301	/nfs/dbraw/zinc/65/23/01/553652301.db2.gz	SYEMIODHSXMHPP-RVKKMQEKSA-N	1	0	360.458	1.303	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C[NH2+][C@H]([C@@H]2CCCO2)C2(CO)CCC2)c1	ZINC000602888729	553661241	/nfs/dbraw/zinc/66/12/41/553661241.db2.gz	BRYWSYUJFVANDJ-PKOBYXMFSA-N	1	0	357.454	1.474	20	30		FDEDRO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@](O)(C[NH+](C)C)C1	ZINC000602889885	553661554	/nfs/dbraw/zinc/66/15/54/553661554.db2.gz	FQWDOYZUKXBZLI-YTQPIUFNSA-N	1	0	364.534	1.694	20	30		FDEDRO
C[NH+](C)C[C@]1(O)CCCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000602890335	553661808	/nfs/dbraw/zinc/66/18/08/553661808.db2.gz	HHQTUTKUAISPCM-GOSISDBHSA-N	1	0	364.877	1.929	20	30		FDEDRO
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCN(C)C[C@H]1CO	ZINC000602905358	553665962	/nfs/dbraw/zinc/66/59/62/553665962.db2.gz	NLOCRKXOKQSBNV-CABCVRRESA-N	1	0	362.499	1.628	20	30		FDEDRO
CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC(c3ccc(C#N)cn3)CC2)CC1	ZINC000602912244	553667528	/nfs/dbraw/zinc/66/75/28/553667528.db2.gz	MWTIFNVREHJTRW-OAHLLOKOSA-N	1	0	369.469	1.212	20	30		FDEDRO
COC[C@@](C)(CO)[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000602933593	553673280	/nfs/dbraw/zinc/67/32/80/553673280.db2.gz	UNSRJWJFDFFYPC-QGZVFWFLSA-N	1	0	351.472	1.814	20	30		FDEDRO
CCC1([NH+](C)C)CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1	ZINC000602966426	553682518	/nfs/dbraw/zinc/68/25/18/553682518.db2.gz	FHWGBLKAMQNGLO-SFHVURJKSA-N	1	0	363.550	1.485	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[N@H+](C)C(C)(C)C2)cc1	ZINC000602990959	553687546	/nfs/dbraw/zinc/68/75/46/553687546.db2.gz	NXFVSIDLCXVNBI-ZDUSSCGKSA-N	1	0	364.471	1.930	20	30		FDEDRO
N#CCc1cccc(NC(=O)N2CCN(CCc3cnccn3)CC2)c1	ZINC000603033859	553698457	/nfs/dbraw/zinc/69/84/57/553698457.db2.gz	RJDMOXVVJAQVLG-UHFFFAOYSA-N	1	0	350.426	1.935	20	30		FDEDRO
C[NH+](C)CCNC(=O)C1CCN(C(=O)Nc2cc(F)cc(C#N)c2)CC1	ZINC000603067760	553705195	/nfs/dbraw/zinc/70/51/95/553705195.db2.gz	BWCLGFDKUBOCIM-UHFFFAOYSA-N	1	0	361.421	1.619	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)n1cc(CN2CC[NH2+]CC2)nn1	ZINC000603188263	553726981	/nfs/dbraw/zinc/72/69/81/553726981.db2.gz	IUDGIERJVHSWFJ-LBPRGKRZSA-N	1	0	373.848	1.408	20	30		FDEDRO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)n1cc(C[C@@H]2CC[NH2+]C2)nn1	ZINC000603194841	553728983	/nfs/dbraw/zinc/72/89/83/553728983.db2.gz	WQULTQJAWJWZTO-BHEGOAEISA-N	1	0	358.490	1.922	20	30		FDEDRO
N#Cc1ccc(CNC(=O)Cn2cc(C[NH2+]C3CCCCC3)nn2)cc1	ZINC000603210878	553733192	/nfs/dbraw/zinc/73/31/92/553733192.db2.gz	MVXFPZNIIDPVSU-UHFFFAOYSA-N	1	0	352.442	1.888	20	30		FDEDRO
COCC[NH2+]Cc1ccn(Cc2cn([C@H](C#N)c3ccccc3)nn2)n1	ZINC000603221576	553735705	/nfs/dbraw/zinc/73/57/05/553735705.db2.gz	OLUUZSABJKTGQC-GOSISDBHSA-N	1	0	351.414	1.372	20	30		FDEDRO
N#Cc1ccc(Cn2cc(CCN3CC[NH2+]CC3)nn2)c(OC(F)F)c1	ZINC000603238796	553739343	/nfs/dbraw/zinc/73/93/43/553739343.db2.gz	YGUJQQQPUQWDMZ-UHFFFAOYSA-N	1	0	362.384	1.247	20	30		FDEDRO
N#Cc1ccc(Cn2cc(CN3CC[NH2+]CC3)nn2)c(Br)c1	ZINC000603243024	553740855	/nfs/dbraw/zinc/74/08/55/553740855.db2.gz	HGQUTLSGSAMKIS-UHFFFAOYSA-N	1	0	361.247	1.366	20	30		FDEDRO
N#Cc1cc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ncc1Br	ZINC000603290764	553756264	/nfs/dbraw/zinc/75/62/64/553756264.db2.gz	WWMSRICDSJLBIM-ZIAGYGMSSA-N	1	0	351.248	1.751	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(CS(N)(=O)=O)c1	ZINC000603316937	553763479	/nfs/dbraw/zinc/76/34/79/553763479.db2.gz	DKDWVWJFGSZFID-KXBFYZLASA-N	1	0	374.510	1.800	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)CN2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1	ZINC000603848401	553821047	/nfs/dbraw/zinc/82/10/47/553821047.db2.gz	RTOCXBGZHBXTFF-TZIWHRDSSA-N	1	0	373.497	1.679	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1	ZINC000604525590	553884169	/nfs/dbraw/zinc/88/41/69/553884169.db2.gz	ZXEWNSYXZNASBP-UHFFFAOYSA-N	1	0	374.466	1.482	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1	ZINC000607180108	554130632	/nfs/dbraw/zinc/13/06/32/554130632.db2.gz	IOGRJKRSMWUYKP-HZPDHXFCSA-N	1	0	357.520	1.682	20	30		FDEDRO
N#CCN1CCC(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1	ZINC000609335305	554367147	/nfs/dbraw/zinc/36/71/47/554367147.db2.gz	MBHPLRKYWFFADH-UHFFFAOYSA-N	1	0	355.486	1.938	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c1	ZINC000609553325	554392612	/nfs/dbraw/zinc/39/26/12/554392612.db2.gz	OFNXOAMNLXMFDY-SFHVURJKSA-N	1	0	354.454	1.509	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC1	ZINC000609582960	554397033	/nfs/dbraw/zinc/39/70/33/554397033.db2.gz	FNOGFODMYHIYGQ-XLIONFOSSA-N	1	0	369.513	1.669	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CCOCC1	ZINC000609616491	554402169	/nfs/dbraw/zinc/40/21/69/554402169.db2.gz	YSPVMFIMXJUAMN-SFHVURJKSA-N	1	0	356.470	1.754	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCCN1CCC[N@@H+](C)CC1	ZINC000609619850	554403640	/nfs/dbraw/zinc/40/36/40/554403640.db2.gz	MPSPCELTVJEITK-UHFFFAOYSA-N	1	0	373.501	1.352	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCOC[C@@H]1CCCO1	ZINC000609687117	554411992	/nfs/dbraw/zinc/41/19/92/554411992.db2.gz	MISXPNODKDKXBS-IBGZPJMESA-N	1	0	374.485	1.827	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCOC[C@H]1CCCO1	ZINC000609687119	554412249	/nfs/dbraw/zinc/41/22/49/554412249.db2.gz	MISXPNODKDKXBS-LJQANCHMSA-N	1	0	374.485	1.827	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1	ZINC000610002541	554447706	/nfs/dbraw/zinc/44/77/06/554447706.db2.gz	QURVPVQRDYSTOV-MSOLQXFVSA-N	1	0	362.518	1.904	20	30		FDEDRO
CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000610345929	554493922	/nfs/dbraw/zinc/49/39/22/554493922.db2.gz	CWXXYUXIKSCJLW-GRDNDAEWSA-N	1	0	363.483	1.633	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H]2COc3ccccc3O2)cc1	ZINC000610497362	554519186	/nfs/dbraw/zinc/51/91/86/554519186.db2.gz	ANKWHRWSVXSULN-HNNXBMFYSA-N	1	0	358.419	1.762	20	30		FDEDRO
COc1ccc(NC(=O)C[C@H](C)[NH2+]C2CCN(CC#N)CC2)c(OC)c1	ZINC000610812997	554565512	/nfs/dbraw/zinc/56/55/12/554565512.db2.gz	UQZIILVBUCDBNM-AWEZNQCLSA-N	1	0	360.458	1.998	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2noc(-c3cccc(F)c3)n2)c1C#N	ZINC000611166278	554611208	/nfs/dbraw/zinc/61/12/08/554611208.db2.gz	PVOGYTKDWXLBJW-UHFFFAOYSA-N	1	0	369.360	1.875	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)NCCCC[N@H+]2CCC[C@H]2CO)cc1	ZINC000611197036	554614480	/nfs/dbraw/zinc/61/44/80/554614480.db2.gz	VHGRXENTPOPZIT-VQTJNVASSA-N	1	0	370.497	1.880	20	30		FDEDRO
COc1ccc(C)cc1CN1CC[NH+](CCC(=O)N(C)CCC#N)CC1	ZINC000611301910	554623964	/nfs/dbraw/zinc/62/39/64/554623964.db2.gz	DKIOBOLTPTYAGV-UHFFFAOYSA-N	1	0	358.486	1.883	20	30		FDEDRO
Cc1nn(-c2ccccc2)c(CN2CC[NH+](C(C)(C)CO)CC2)c1C#N	ZINC000611348073	554627549	/nfs/dbraw/zinc/62/75/49/554627549.db2.gz	UTITVKACVIUQRI-UHFFFAOYSA-N	1	0	353.470	1.941	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@](C)(CO)c2ccccc2)CC1	ZINC000611371747	554629161	/nfs/dbraw/zinc/62/91/61/554629161.db2.gz	YMEFNRJVVIJGTH-ICSRJNTNSA-N	1	0	358.486	1.176	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+]C1(CO)CCCCC1	ZINC000611463017	554635687	/nfs/dbraw/zinc/63/56/87/554635687.db2.gz	MPZIQBJJEYLIHS-UHFFFAOYSA-N	1	0	353.426	1.967	20	30		FDEDRO
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1	ZINC000611558909	554646185	/nfs/dbraw/zinc/64/61/85/554646185.db2.gz	ZVKOVPXZKDLMLP-HNAYVOBHSA-N	1	0	365.474	1.618	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1	ZINC000612334611	554764029	/nfs/dbraw/zinc/76/40/29/554764029.db2.gz	NMWVXZSUXVPHLJ-QZTJIDSGSA-N	1	0	351.491	1.561	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)CC2)n1	ZINC000612810099	554843474	/nfs/dbraw/zinc/84/34/74/554843474.db2.gz	PCQKTXXALHNEON-KRWDZBQOSA-N	1	0	354.458	1.269	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)cc1	ZINC000612830369	554847270	/nfs/dbraw/zinc/84/72/70/554847270.db2.gz	NJJGSLBDLFTSSN-DLBZAZTESA-N	1	0	358.442	1.028	20	30		FDEDRO
C[C@@H]1CN(C[C@H](O)COc2ccc(CC#N)cc2)CC[N@@H+]1CC(C)(C)O	ZINC000614928715	555139239	/nfs/dbraw/zinc/13/92/39/555139239.db2.gz	LPQQVXJIGUIDKP-AEFFLSMTSA-N	1	0	361.486	1.269	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000615225586	555174417	/nfs/dbraw/zinc/17/44/17/555174417.db2.gz	GFADYVIWHYBYQG-ABSDTBQOSA-N	1	0	367.534	1.909	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cc1	ZINC000617020902	555375218	/nfs/dbraw/zinc/37/52/18/555375218.db2.gz	MDRABBUJEJHAAV-OAHLLOKOSA-N	1	0	365.499	1.754	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1	ZINC000617356144	555423649	/nfs/dbraw/zinc/42/36/49/555423649.db2.gz	BLCHOTLVBOCKDV-HNNXBMFYSA-N	1	0	365.499	1.754	20	30		FDEDRO
C[C@H](CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21)C[NH+]1CCN(C)CC1	ZINC000618815579	555680983	/nfs/dbraw/zinc/68/09/83/555680983.db2.gz	JTGMXLUYCVBMTQ-DNVCBOLYSA-N	1	0	355.486	1.728	20	30		FDEDRO
COc1cc(C[NH2+][C@@H]2CCCN(Cc3nccn3C)C2=O)ccc1C#N	ZINC000619654652	555818144	/nfs/dbraw/zinc/81/81/44/555818144.db2.gz	JLJLPNNYBVGOEX-MRXNPFEDSA-N	1	0	353.426	1.581	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)cc1	ZINC000619871756	555846632	/nfs/dbraw/zinc/84/66/32/555846632.db2.gz	WRMANEGVKUFZLO-SFHVURJKSA-N	1	0	370.453	1.001	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1	ZINC000622026709	556205311	/nfs/dbraw/zinc/20/53/11/556205311.db2.gz	PRQNQAOMJRTMKI-JXFKEZNVSA-N	1	0	357.454	1.550	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cc1	ZINC000624567236	556607219	/nfs/dbraw/zinc/60/72/19/556607219.db2.gz	XIHIWBXKMUJZMM-MRXNPFEDSA-N	1	0	365.499	1.754	20	30		FDEDRO
CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000625530703	556842954	/nfs/dbraw/zinc/84/29/54/556842954.db2.gz	SACYOJZPKCDVAQ-MDZRGWNJSA-N	1	0	370.449	1.442	20	30		FDEDRO
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCC[N@@H+]1CC[C@H](O)C1	ZINC000628105445	557591148	/nfs/dbraw/zinc/59/11/48/557591148.db2.gz	YPUQNVMFJPPGJV-INIZCTEOSA-N	1	0	359.470	1.660	20	30		FDEDRO
C=CCOc1ccc(CNS(=O)(=O)CCCN2CC[NH+](C)CC2)cc1	ZINC000632328293	558133980	/nfs/dbraw/zinc/13/39/80/558133980.db2.gz	WECWHEGEGKYDBG-UHFFFAOYSA-N	1	0	367.515	1.308	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1	ZINC000632520452	558169849	/nfs/dbraw/zinc/16/98/49/558169849.db2.gz	RLKPGWDSTURIAT-UHFFFAOYSA-N	1	0	365.518	1.666	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000669118109	568047107	/nfs/dbraw/zinc/04/71/07/568047107.db2.gz	JXHRLHOETYGTHF-AEFFLSMTSA-N	1	0	359.470	1.332	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NCc2cnc3c(-c4nn[nH]n4)cnn3c2)CC1	ZINC000735399966	598369463	/nfs/dbraw/zinc/36/94/63/598369463.db2.gz	YAVGHBBLZCCAJU-UHFFFAOYSA-N	1	0	353.434	1.040	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CSc1ccc(-c2nn[nH]n2)cc1	ZINC000736761107	598701746	/nfs/dbraw/zinc/70/17/46/598701746.db2.gz	DZGLNPRAXMBYPY-UHFFFAOYSA-N	1	0	373.486	1.653	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)ccc1F	ZINC000272648049	674463988	/nfs/dbraw/zinc/46/39/88/674463988.db2.gz	YPXMWTVDKWTZND-RYUDHWBXSA-N	1	0	355.435	1.112	20	30		FDEDRO
C[NH+](C)CC(=O)N1CCN(c2ccc(Br)cc2C#N)CC1	ZINC000272894975	674486037	/nfs/dbraw/zinc/48/60/37/674486037.db2.gz	YNOIUKZTKOBJFM-UHFFFAOYSA-N	1	0	351.248	1.531	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccsc2C(=O)OC)CC1	ZINC000273161118	674513064	/nfs/dbraw/zinc/51/30/64/674513064.db2.gz	UEYATPRWVKDZCT-UHFFFAOYSA-N	1	0	365.455	1.630	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1ccc(C#N)[nH]1	ZINC000825865404	607710686	/nfs/dbraw/zinc/71/06/86/607710686.db2.gz	CUWRFPIUFDQTAN-UHFFFAOYSA-N	1	0	364.413	1.270	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=NOCc2ccc(-c3nn[nH]n3)cc2)cc1	ZINC000821587342	606178681	/nfs/dbraw/zinc/17/86/81/606178681.db2.gz	SIVZTNRIPTYPPG-UHFFFAOYSA-N	1	0	351.414	1.765	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1cc(C#N)c[nH]1	ZINC000821586315	606315105	/nfs/dbraw/zinc/31/51/05/606315105.db2.gz	SINNOTCROXJCJU-UHFFFAOYSA-N	1	0	364.413	1.270	20	30		FDEDRO
COc1cc(-c2nn[nH]n2)ccc1CO[NH+]=C(N)c1ccc(N(C)C)cc1	ZINC000826173178	608324547	/nfs/dbraw/zinc/32/45/47/608324547.db2.gz	QSGNNLSRWWUDGF-UHFFFAOYSA-N	1	0	367.413	1.778	20	30		FDEDRO
C=CCCOCC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1	ZINC000823899077	609342586	/nfs/dbraw/zinc/34/25/86/609342586.db2.gz	KJRQQBKAUUGXFX-UHFFFAOYSA-N	1	0	353.430	1.950	20	30		FDEDRO
C#CCCCCC(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1	ZINC000274234620	674588025	/nfs/dbraw/zinc/58/80/25/674588025.db2.gz	LMNXTAIVBNORSE-UHFFFAOYSA-N	1	0	351.472	1.659	20	30		FDEDRO
C=CCN(C)CC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O	ZINC000275046183	674603349	/nfs/dbraw/zinc/60/33/49/674603349.db2.gz	IUAPKCOJZXZATD-GXDHUFHOSA-N	1	0	360.439	1.352	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N(CCO)C1CCOCC1)C(C)C	ZINC000275611153	674625651	/nfs/dbraw/zinc/62/56/51/674625651.db2.gz	KEDMXXCAGHSIIL-GOSISDBHSA-N	1	0	353.507	1.868	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N(CCO)C1CCOCC1)C(C)C	ZINC000275611156	674625691	/nfs/dbraw/zinc/62/56/91/674625691.db2.gz	KEDMXXCAGHSIIL-SFHVURJKSA-N	1	0	353.507	1.868	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccc1F)S(=O)(=O)c1cccnc1C#N	ZINC000277085910	674853500	/nfs/dbraw/zinc/85/35/00/674853500.db2.gz	VBZLBHSVZYEYQG-UHFFFAOYSA-N	1	0	362.430	1.845	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccc(F)cc2F)CC1	ZINC000286466421	675896081	/nfs/dbraw/zinc/89/60/81/675896081.db2.gz	IJZCYFQMAIUQQR-UHFFFAOYSA-N	1	0	351.397	1.690	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NC[C@H](CO)Cc1ccccc1Br	ZINC000277514524	674958478	/nfs/dbraw/zinc/95/84/78/674958478.db2.gz	WMSDQLZFJUYXHM-VXGBXAGGSA-N	1	0	358.280	1.539	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)C[C@@H]2C1	ZINC000278408651	675133696	/nfs/dbraw/zinc/13/36/96/675133696.db2.gz	OVEMIRLITPJKGS-TXEJJXNPSA-N	1	0	359.373	1.759	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@@H](C)c2nccs2)CC1	ZINC000286727548	675900964	/nfs/dbraw/zinc/90/09/64/675900964.db2.gz	RJEUDGAAEJZUOP-CYBMUJFWSA-N	1	0	350.488	1.472	20	30		FDEDRO
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1[C@@H](CO)CC[C@@H]1CO	ZINC000287581242	675918097	/nfs/dbraw/zinc/91/80/97/675918097.db2.gz	XWUDHDYPONYFCY-RRFJBIMHSA-N	1	0	363.483	1.837	20	30		FDEDRO
CC(C)c1cccc(NC(=[NH2+])NCCS(=O)(=O)N2CCOCC2)c1	ZINC000104183926	671595020	/nfs/dbraw/zinc/59/50/20/671595020.db2.gz	ZQOVNCWNNWBLNS-UHFFFAOYSA-N	1	0	354.476	1.199	20	30		FDEDRO
[NH2+]=C(NC[C@@H](O)COc1cccc(C(F)(F)F)c1)N1CCSCC1	ZINC000104179987	671595118	/nfs/dbraw/zinc/59/51/18/671595118.db2.gz	PERKSNYBFOOKSY-GFCCVEGCSA-N	1	0	363.405	1.809	20	30		FDEDRO
C[NH+](C)CCNC(=O)CC1S/C(=N/c2ccc(F)c(Cl)c2)NC1=O	ZINC000106898475	671608873	/nfs/dbraw/zinc/60/88/73/671608873.db2.gz	YVHWAHSIODJCSU-GFCCVEGCSA-N	1	0	372.853	1.766	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)C1CCN(S(=O)(=O)CC)CC1	ZINC000121696416	671708918	/nfs/dbraw/zinc/70/89/18/671708918.db2.gz	LNCCMCPILWIWRM-OAHLLOKOSA-N	1	0	358.504	1.325	20	30		FDEDRO
CC1CC[NH+](CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1	ZINC000122086572	671713265	/nfs/dbraw/zinc/71/32/65/671713265.db2.gz	HJWALABVNKJMMM-HNNXBMFYSA-N	1	0	350.463	1.690	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N(C)C2CC[NH2+]CC2)ccc1F	ZINC000125280929	671746542	/nfs/dbraw/zinc/74/65/42/671746542.db2.gz	BPMISIMYFPXGHO-UHFFFAOYSA-N	1	0	355.435	1.114	20	30		FDEDRO
C#CCOc1ccc(Br)cc1CNC[C@@](C)(O)C[NH+](C)C	ZINC000131462621	671804083	/nfs/dbraw/zinc/80/40/83/671804083.db2.gz	BLIJYXABIHWPHK-MRXNPFEDSA-N	1	0	355.276	1.863	20	30		FDEDRO
C[NH+]=C(NCC(=O)NC(C)C)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1	ZINC000153120979	671895630	/nfs/dbraw/zinc/89/56/30/671895630.db2.gz	YNVCDXMOGKFBIG-BBRMVZONSA-N	1	0	350.438	1.688	20	30		FDEDRO
C#CCSCCNC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1	ZINC000154836110	671929483	/nfs/dbraw/zinc/92/94/83/671929483.db2.gz	GTLUKJWNFPADTO-UHFFFAOYSA-N	1	0	361.511	1.809	20	30		FDEDRO
C[NH+]=C(NCc1noc(C)n1)N1CCC(OC[C@@H]2CCCCO2)CC1	ZINC000156137452	671951319	/nfs/dbraw/zinc/95/13/19/671951319.db2.gz	CTWNJUACURZNSI-HNNXBMFYSA-N	1	0	351.451	1.504	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH2+]CC2CCN(S(C)(=O)=O)CC2)cc1	ZINC000237566055	672423766	/nfs/dbraw/zinc/42/37/66/672423766.db2.gz	QSHKGDFHCALTOW-CQSZACIVSA-N	1	0	351.472	1.739	20	30		FDEDRO
C[NH+]=C(NCC1(N2CCOCC2)CCCCC1)N(C)C[C@H]1CCOC1	ZINC000261602064	672633343	/nfs/dbraw/zinc/63/33/43/672633343.db2.gz	BYXZFHSXMHYZAW-QGZVFWFLSA-N	1	0	352.523	1.565	20	30		FDEDRO
C/[NH+]=C(/NCc1cn2ccsc2n1)N1CCO[C@@H](c2cnn(C)c2)C1	ZINC000261673507	672648169	/nfs/dbraw/zinc/64/81/69/672648169.db2.gz	CHCTWGJWKJMKOU-CQSZACIVSA-N	1	0	359.459	1.278	20	30		FDEDRO
C/[NH+]=C(/NCc1cn2ccsc2n1)N1CCO[C@H](c2cnn(C)c2)C1	ZINC000261673503	672648222	/nfs/dbraw/zinc/64/82/22/672648222.db2.gz	CHCTWGJWKJMKOU-AWEZNQCLSA-N	1	0	359.459	1.278	20	30		FDEDRO
CNC(=O)CC1CCN(C(N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)=[NH+]C)CC1	ZINC000261686434	672651373	/nfs/dbraw/zinc/65/13/73/672651373.db2.gz	DQTZFTNEUGFVFW-UAGQMJEPSA-N	1	0	350.507	1.614	20	30		FDEDRO
CC[NH+]=C(NCc1ccn(C)c1)N1CCN(c2nc(CC)ns2)CC1	ZINC000261691938	672651912	/nfs/dbraw/zinc/65/19/12/672651912.db2.gz	FFYXWZDAZPHDLQ-UHFFFAOYSA-N	1	0	361.519	1.727	20	30		FDEDRO
C[NH+]=C(NCCNS(=O)(=O)c1ccc(Cl)s1)N1CCCC1	ZINC000261702590	672654750	/nfs/dbraw/zinc/65/47/50/672654750.db2.gz	JLDUHHMKJPQGHM-UHFFFAOYSA-N	1	0	350.897	1.351	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N(CC[NH3+])CCc1ccccc1	ZINC000261744419	672663570	/nfs/dbraw/zinc/66/35/70/672663570.db2.gz	VJBLSSAXBFCYRI-UHFFFAOYSA-N	1	0	359.451	1.759	20	30		FDEDRO
[NH2+]=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)NC1CCCC1	ZINC000261778834	672670744	/nfs/dbraw/zinc/67/07/44/672670744.db2.gz	NUFLPAPJHFERJF-UHFFFAOYSA-N	1	0	372.516	1.116	20	30		FDEDRO
C[NH+]=C(NCc1nc(C)no1)N1CCN(c2cc(F)ccc2F)CC1	ZINC000261783100	672671605	/nfs/dbraw/zinc/67/16/05/672671605.db2.gz	QGQDGDJVLSTPQP-UHFFFAOYSA-N	1	0	350.373	1.554	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCCN1S(C)(=O)=O)N[C@@H](C)Cc1ccc(C)s1	ZINC000261806309	672675158	/nfs/dbraw/zinc/67/51/58/672675158.db2.gz	RZPSNKOCQZPUTB-GXTWGEPZSA-N	1	0	372.560	1.577	20	30		FDEDRO
C[NH+]=C(NCCc1sc(C)nc1C)N1CCN(C[C@H]2CCOC2)CC1	ZINC000261822028	672678425	/nfs/dbraw/zinc/67/84/25/672678425.db2.gz	ULRBNGGCBNFYKT-MRXNPFEDSA-N	1	0	365.547	1.532	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)NC(C)C)N1CC[C@@](C)(c2ccccc2)C1	ZINC000261827020	672679223	/nfs/dbraw/zinc/67/92/23/672679223.db2.gz	VCVRQXWNZVXISN-GOSISDBHSA-N	1	0	366.531	1.553	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261945123	672699120	/nfs/dbraw/zinc/69/91/20/672699120.db2.gz	FQZWGLUHBNOHAH-BFHYXJOUSA-N	1	0	357.520	1.274	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261952139	672700569	/nfs/dbraw/zinc/70/05/69/672700569.db2.gz	HSRQFIOTGFFJEV-ZNMIVQPWSA-N	1	0	369.531	1.419	20	30		FDEDRO
C[NH+]=C(NCCOc1ccccc1Cl)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261955865	672701414	/nfs/dbraw/zinc/70/14/14/672701414.db2.gz	ISRYUFJJQRBJTI-UHFFFAOYSA-N	1	0	373.906	1.803	20	30		FDEDRO
C[NH+]=C(NCc1ccc(NS(C)(=O)=O)cc1)NC[C@@H]1CCCS1	ZINC000261988166	672707512	/nfs/dbraw/zinc/70/75/12/672707512.db2.gz	QQOAZMAHDBHGQL-AWEZNQCLSA-N	1	0	356.517	1.619	20	30		FDEDRO
C=CCOc1ccc(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1	ZINC000262096474	672725039	/nfs/dbraw/zinc/72/50/39/672725039.db2.gz	UUYKLXABIYATSL-HNNXBMFYSA-N	1	0	357.376	1.817	20	30		FDEDRO
C[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1	ZINC000262332487	672771769	/nfs/dbraw/zinc/77/17/69/672771769.db2.gz	VKOGBEQWNOJZNI-LLVKDONJSA-N	1	0	355.845	1.311	20	30		FDEDRO
CN(C)C(=O)CNC(=[NH+]C1CC1)N1CC[C@@H](Oc2ccccc2Cl)C1	ZINC000262341122	672773516	/nfs/dbraw/zinc/77/35/16/672773516.db2.gz	XBFDFBJPLSCNNB-CQSZACIVSA-N	1	0	364.877	1.989	20	30		FDEDRO
CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	ZINC000262356346	672775861	/nfs/dbraw/zinc/77/58/61/672775861.db2.gz	GAKDKFOPECJNBW-XQLPTFJDSA-N	1	0	357.520	1.180	20	30		FDEDRO
C[NH+]=C(N[C@@H]1C[C@](C)(OC)C1(C)C)N1CC[C@@H](CN2CCOCC2)C1	ZINC000262364483	672776980	/nfs/dbraw/zinc/77/69/80/672776980.db2.gz	HKBRLEPCJJZEMG-FCEWJHQRSA-N	1	0	352.523	1.420	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(NC[C@@H]2CCCCO2)=[NH+]C2CCCCC2)C1	ZINC000262405709	672784140	/nfs/dbraw/zinc/78/41/40/672784140.db2.gz	OMIMVIDIBXSBGC-WBVHZDCISA-N	1	0	371.547	1.858	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(=[NH+]C2CC2)N2CC[C@@H](N3CCCCC3)C2)C1	ZINC000262422967	672787020	/nfs/dbraw/zinc/78/70/20/672787020.db2.gz	RGCPOICHYROGPG-NVXWUHKLSA-N	1	0	368.547	1.089	20	30		FDEDRO
C[NH+]=C(NC[C@@]1(O)CCSC1)N[C@@H]1CCCN(c2cccc(F)c2)C1	ZINC000262456575	672792700	/nfs/dbraw/zinc/79/27/00/672792700.db2.gz	WVXONEJIOQAPRE-QAPCUYQASA-N	1	0	366.506	1.828	20	30		FDEDRO
C[NH+]=C(NCC(=O)Nc1ccc(F)c(F)c1F)N1CC[C@H](COC)C1	ZINC000262477901	672796064	/nfs/dbraw/zinc/79/60/64/672796064.db2.gz	QORHBIXDRFLGDT-JTQLQIEISA-N	1	0	358.364	1.586	20	30		FDEDRO
CCN(CC)S(=O)(=O)c1ccc(CNC(=[NH2+])N2CCO[C@H](C)C2)s1	ZINC000262484415	672797304	/nfs/dbraw/zinc/79/73/04/672797304.db2.gz	SDXJAYBMDJPNBE-GFCCVEGCSA-N	1	0	374.532	1.314	20	30		FDEDRO
CN(C)C(=O)CNC(=[NH+]C1CC1)N1CCN(c2cccc(Cl)c2)CC1	ZINC000262508955	672801009	/nfs/dbraw/zinc/80/10/09/672801009.db2.gz	ASIHDPXRYVXDQK-UHFFFAOYSA-N	1	0	363.893	1.658	20	30		FDEDRO
C[NH+]=C(NC[C@H]1COCCO1)N(C)Cc1ccccc1Br	ZINC000262569609	672808824	/nfs/dbraw/zinc/80/88/24/672808824.db2.gz	MNRXMZBUVRDDHX-ZDUSSCGKSA-N	1	0	356.264	1.872	20	30		FDEDRO
COc1ccc(OC)c(NC(=[NH2+])NC[C@H]2CCCCN2S(C)(=O)=O)c1	ZINC000262665331	672827739	/nfs/dbraw/zinc/82/77/39/672827739.db2.gz	OMMQTLKIUWOTFS-GFCCVEGCSA-N	1	0	370.475	1.245	20	30		FDEDRO
Cc1cc(CNC(=[NH+]Cc2ccccc2)N(C)C)ccc1S(N)(=O)=O	ZINC000262746944	672840439	/nfs/dbraw/zinc/84/04/39/672840439.db2.gz	APNSWIREGPWLLH-UHFFFAOYSA-N	1	0	360.483	1.850	20	30		FDEDRO
C[NH+]=C(NC[C@]1(N(C)C)CCSC1)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1	ZINC000262763275	672844300	/nfs/dbraw/zinc/84/43/00/672844300.db2.gz	GPSUZKZHNCCANS-HDMKZQKVSA-N	1	0	369.579	1.236	20	30		FDEDRO
C[C@H]1[NH2+]CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)[C@H]1C	ZINC000262763323	672844329	/nfs/dbraw/zinc/84/43/29/672844329.db2.gz	JZOYLJRJSHCNFU-ZJUUUORDSA-N	1	0	358.261	1.692	20	30		FDEDRO
[NH2+]=C(NCCNS(=O)(=O)c1ccc(F)cc1F)NC1CCCCCC1	ZINC000262778818	672847795	/nfs/dbraw/zinc/84/77/95/672847795.db2.gz	KDICROXNEMYLTD-UHFFFAOYSA-N	1	0	374.457	1.870	20	30		FDEDRO
[NH2+]=C(NCCNS(=O)(=O)c1ccc(F)cc1F)NC1CCCCC1	ZINC000262803165	672850684	/nfs/dbraw/zinc/85/06/84/672850684.db2.gz	RPINTMVJNQIZNH-UHFFFAOYSA-N	1	0	360.430	1.480	20	30		FDEDRO
CO[C@H]1COCC[C@@H]1CNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1	ZINC000263168757	672865099	/nfs/dbraw/zinc/86/50/99/672865099.db2.gz	RPZVAFVXVGAEIV-PBHICJAKSA-N	1	0	366.893	1.828	20	30		FDEDRO
C=C(C)CNC(=[NH2+])NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1	ZINC000264074734	672900172	/nfs/dbraw/zinc/90/01/72/672900172.db2.gz	FJDBRYXFSCXPBS-OAHLLOKOSA-N	1	0	366.487	1.124	20	30		FDEDRO
[NH2+]=C(NC[C@@H](O)c1ccc(Cl)cc1)N1CCN(c2ncccn2)CC1	ZINC000264090812	672901193	/nfs/dbraw/zinc/90/11/93/672901193.db2.gz	KZAODTSMSWGOCO-OAHLLOKOSA-N	1	0	360.849	1.300	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NC[C@@H](C(C)C)N2CCOCC2)cc1OC	ZINC000264126870	672901934	/nfs/dbraw/zinc/90/19/34/672901934.db2.gz	SKPCXSBHWCVLGU-HNNXBMFYSA-N	1	0	350.463	1.787	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[N@@H+](CC)CC2)cc1	ZINC000264606041	672918891	/nfs/dbraw/zinc/91/88/91/672918891.db2.gz	GKKFBENWURSQHJ-UHFFFAOYSA-N	1	0	351.472	1.319	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000266710770	673179614	/nfs/dbraw/zinc/17/96/14/673179614.db2.gz	YANOUIAMHWODSP-LBPRGKRZSA-N	1	0	354.332	1.726	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c1	ZINC000289329005	676120836	/nfs/dbraw/zinc/12/08/36/676120836.db2.gz	VJKHVVXXIYJTOB-SFHVURJKSA-N	1	0	363.483	1.367	20	30		FDEDRO
C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H](C[NH3+])OC)nc1C	ZINC000289441689	676136392	/nfs/dbraw/zinc/13/63/92/676136392.db2.gz	AUCLCXRYGKZGKR-MRVPVSSYSA-N	1	0	354.461	1.097	20	30		FDEDRO
COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1C#N	ZINC000289457668	676139127	/nfs/dbraw/zinc/13/91/27/676139127.db2.gz	GFCKQZXSJOMEAU-UHFFFAOYSA-N	1	0	351.472	1.680	20	30		FDEDRO
C=CCn1c(CNC(=O)c2cccs2)nnc1N1CC[NH+](CC)CC1	ZINC000289558890	676152713	/nfs/dbraw/zinc/15/27/13/676152713.db2.gz	FXLRKZWKKIHJNU-UHFFFAOYSA-N	1	0	360.487	1.598	20	30		FDEDRO
C=C(C)CS(=O)(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000280558452	675435078	/nfs/dbraw/zinc/43/50/78/675435078.db2.gz	KBFXGETWGRNKKR-QGZVFWFLSA-N	1	0	365.499	1.379	20	30		FDEDRO
CC[N@H+](CCOCCO)CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000281880966	675572788	/nfs/dbraw/zinc/57/27/88/675572788.db2.gz	AIGKLSBYYKFEDH-UHFFFAOYSA-N	1	0	351.472	1.768	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](CC[NH3+])C2)cc1	ZINC000282104308	675599158	/nfs/dbraw/zinc/59/91/58/675599158.db2.gz	ZRIVLPNGJKXPOV-CQSZACIVSA-N	1	0	351.472	1.352	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1	ZINC000282504888	675631214	/nfs/dbraw/zinc/63/12/14/675631214.db2.gz	ZFHBRYLRTGYLAX-QAPCUYQASA-N	1	0	364.515	1.823	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[N@H+](Cc2ccccc2)CC1	ZINC000282998025	675646713	/nfs/dbraw/zinc/64/67/13/675646713.db2.gz	NOMPFPKRIBXCOB-INIZCTEOSA-N	1	0	350.488	1.673	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)c(F)c1	ZINC000283291384	675653195	/nfs/dbraw/zinc/65/31/95/675653195.db2.gz	OGWLYNPLPMIIKO-KRWDZBQOSA-N	1	0	367.421	1.438	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC)cc1	ZINC000284960262	675772041	/nfs/dbraw/zinc/77/20/41/675772041.db2.gz	ZTMQGHSKNITMCO-QWHCGFSZSA-N	1	0	367.471	1.531	20	30		FDEDRO
CC#CC[N@H+](C)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000293061466	676333328	/nfs/dbraw/zinc/33/33/28/676333328.db2.gz	IMIFJPYGHUWARD-UHFFFAOYSA-N	1	0	352.456	1.041	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)OC	ZINC000293480057	676352573	/nfs/dbraw/zinc/35/25/73/676352573.db2.gz	VOMHGKFEELJTCA-UHFFFAOYSA-N	1	0	365.817	1.136	20	30		FDEDRO
C[C@H](NS(=O)(=O)CCC#N)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000295649693	676408704	/nfs/dbraw/zinc/40/87/04/676408704.db2.gz	HIZLKWJGJZDTBO-ZDUSSCGKSA-N	1	0	354.451	1.472	20	30		FDEDRO
C[NH+]=C(NCCSc1ccc(Cl)cc1)NCCN1CCOCC1	ZINC000303791344	676543142	/nfs/dbraw/zinc/54/31/42/676543142.db2.gz	XJLBDUCXOYTDQC-UHFFFAOYSA-N	1	0	356.923	1.929	20	30		FDEDRO
[NH2+]=C(NCCc1ccccc1)NCCS(=O)(=O)NCc1ccccc1	ZINC000303872574	676543281	/nfs/dbraw/zinc/54/32/81/676543281.db2.gz	CBVVSGYXQUUCRK-UHFFFAOYSA-N	1	0	360.483	1.253	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NCCS(=O)(=O)c2ccccc2)cc1OC	ZINC000303878326	676543545	/nfs/dbraw/zinc/54/35/45/676543545.db2.gz	FXYAVSJVESOSRP-UHFFFAOYSA-N	1	0	363.439	1.904	20	30		FDEDRO
CCOCCCNC(=[NH2+])NC[C@@H](c1cccc(F)c1)N1CCOCC1	ZINC000303882312	676543550	/nfs/dbraw/zinc/54/35/50/676543550.db2.gz	LHOJHZRLZXGTPR-KRWDZBQOSA-N	1	0	352.454	1.530	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])N[C@H]2CCN(CC(F)(F)F)C2)CC1	ZINC000303889967	676543812	/nfs/dbraw/zinc/54/38/12/676543812.db2.gz	PTCDWEXWGQXHPS-LBPRGKRZSA-N	1	0	365.400	1.148	20	30		FDEDRO
CC(C)(C)c1csc(CCNC(=[NH2+])NCCCN2CCOCC2)n1	ZINC000304759141	676544450	/nfs/dbraw/zinc/54/44/50/676544450.db2.gz	QVBDKMSWRIHLIG-UHFFFAOYSA-N	1	0	353.536	1.610	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCC[C@@H]3CCCCO3)=[NH+]C[C@@H]2C1	ZINC000305833530	676545308	/nfs/dbraw/zinc/54/53/08/676545308.db2.gz	FCLZYHYKKXDUDW-CABCVRRESA-N	1	0	352.479	1.826	20	30		FDEDRO
CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)cc1	ZINC000326507982	676583721	/nfs/dbraw/zinc/58/37/21/676583721.db2.gz	RGRLEDFPVYCPMG-MRXNPFEDSA-N	1	0	360.435	1.491	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1	ZINC000328664958	676601288	/nfs/dbraw/zinc/60/12/88/676601288.db2.gz	YVYKIQZDLGAPKP-LSDHHAIUSA-N	1	0	360.524	1.034	20	30		FDEDRO
C[C@H](NC(=O)C[NH2+][C@@H]1CCC(=O)NC12CCC2)C(=O)N1CCCCC1	ZINC000328679121	676601908	/nfs/dbraw/zinc/60/19/08/676601908.db2.gz	BMISPFDOIHFXBZ-UONOGXRCSA-N	1	0	350.463	1.975	20	30		FDEDRO
O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000328696773	676602824	/nfs/dbraw/zinc/60/28/24/676602824.db2.gz	KZVWQKDPWYMSFF-LSDHHAIUSA-N	1	0	350.463	1.596	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)CC1(C)C	ZINC000328695823	676602838	/nfs/dbraw/zinc/60/28/38/676602838.db2.gz	GPOYWKUKMQSUDV-AWEZNQCLSA-N	1	0	370.563	1.917	20	30		FDEDRO
C[C@@H]1CN(C(=O)N[C@H]2CCC(=O)NC23CCC3)CC[N@@H+]1CC(C)(C)O	ZINC000328716425	676603652	/nfs/dbraw/zinc/60/36/52/676603652.db2.gz	UBVDFJKOCNMNJZ-KGLIPLIRSA-N	1	0	352.479	1.719	20	30		FDEDRO
C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)CC[N@@H+]1CC(C)(C)O	ZINC000328716427	676603782	/nfs/dbraw/zinc/60/37/82/676603782.db2.gz	UBVDFJKOCNMNJZ-ZIAGYGMSSA-N	1	0	352.479	1.719	20	30		FDEDRO
C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCC(C(=O)N2CCOCC2)CC1	ZINC000328741572	676604916	/nfs/dbraw/zinc/60/49/16/676604916.db2.gz	JBJASWIMFNKWLN-GDBMZVCRSA-N	1	0	353.463	1.081	20	30		FDEDRO
CN(C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)[C@H]1CCNC1=O	ZINC000328808607	676607871	/nfs/dbraw/zinc/60/78/71/676607871.db2.gz	DDBOBQFNUWYHQR-HNNXBMFYSA-N	1	0	352.479	1.844	20	30		FDEDRO
Cn1nccc1COCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000328843219	676609212	/nfs/dbraw/zinc/60/92/12/676609212.db2.gz	WDTDYDTVWVFVDV-IAGOWNOFSA-N	1	0	350.463	1.661	20	30		FDEDRO
C[C@H](NC(=O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)C(=O)N1CCCCC1	ZINC000328902170	676611591	/nfs/dbraw/zinc/61/15/91/676611591.db2.gz	GHHHWKRGJFZJEF-QEORTHHSSA-N	1	0	350.463	1.831	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)CC1	ZINC000328954023	676613598	/nfs/dbraw/zinc/61/35/98/676613598.db2.gz	OIKAJASUCWSDRD-NVXWUHKLSA-N	1	0	350.463	1.955	20	30		FDEDRO
CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@@H]3CCS(=O)(=O)C3)C2)CC1	ZINC000329006915	676615825	/nfs/dbraw/zinc/61/58/25/676615825.db2.gz	NDMKKGICRZLNCX-JKSUJKDBSA-N	1	0	357.520	1.531	20	30		FDEDRO
C[C@@H]1CCC[N@H+](CCNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)C1	ZINC000329036234	676616745	/nfs/dbraw/zinc/61/67/45/676616745.db2.gz	MYIDYKLRUDETIX-SFNKJDCFSA-N	1	0	353.507	1.884	20	30		FDEDRO
C[N@H+](CCNC(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)C1CCCC1	ZINC000329223148	676626349	/nfs/dbraw/zinc/62/63/49/676626349.db2.gz	XNRGIGUWUOBQKH-PBHICJAKSA-N	1	0	373.519	1.101	20	30		FDEDRO
C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)C1	ZINC000329220518	676626363	/nfs/dbraw/zinc/62/63/63/676626363.db2.gz	TWTTXBVGDHEUQY-KLZNWCGWSA-N	1	0	373.519	1.099	20	30		FDEDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1ccnc(OCC(F)(F)F)c1	ZINC000329244885	676628294	/nfs/dbraw/zinc/62/82/94/676628294.db2.gz	UWUYQNYXSPZEBG-LBPRGKRZSA-N	1	0	361.368	1.594	20	30		FDEDRO
CNC(=O)C1CCC(NC(=O)N2C[C@H](N3CCOCC3)C[C@@H]2C)CC1	ZINC000329268294	676629676	/nfs/dbraw/zinc/62/96/76/676629676.db2.gz	IBLLYURSBNETNH-SLTXQBBLSA-N	1	0	352.479	1.841	20	30		FDEDRO
CC1CC[NH+](C[C@H](O)CNC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)CC1	ZINC000329275343	676630130	/nfs/dbraw/zinc/63/01/30/676630130.db2.gz	JTYGDQXVJUHTRN-CABCVRRESA-N	1	0	358.504	1.251	20	30		FDEDRO
O=C(NCCN1CCSCC1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000329304967	676632194	/nfs/dbraw/zinc/63/21/94/676632194.db2.gz	YECCWDSXVKCRMO-SJORKVTESA-N	1	0	370.563	1.307	20	30		FDEDRO
CC(C)C(=O)NC[C@@H]1CCCN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1	ZINC000329384203	676636488	/nfs/dbraw/zinc/63/64/88/676636488.db2.gz	RLCUYGKLESJRQE-JKSUJKDBSA-N	1	0	353.511	1.471	20	30		FDEDRO
C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCOCC2(CCOCC2)C1	ZINC000329405255	676637226	/nfs/dbraw/zinc/63/72/26/676637226.db2.gz	BSMRTJMXEXMNSU-AWEZNQCLSA-N	1	0	353.463	1.081	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(C(=O)C(C)(C)C)CC1	ZINC000329497133	676641541	/nfs/dbraw/zinc/64/15/41/676641541.db2.gz	XLQZBYVXPIIWQK-OAHLLOKOSA-N	1	0	354.495	1.202	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)CCC1	ZINC000329506787	676641752	/nfs/dbraw/zinc/64/17/52/676641752.db2.gz	WVUUJEGSMNRDOO-HNNXBMFYSA-N	1	0	351.495	1.655	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCN(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)CC2)CCO1	ZINC000329578565	676644805	/nfs/dbraw/zinc/64/48/05/676644805.db2.gz	PBFYUXLZUWCZSF-XBVQOTNRSA-N	1	0	351.491	1.899	20	30		FDEDRO
C[N@H+](CC(=O)NCc1cnc(N2CCOCC2)c(F)c1)[C@@H]1CCSC1	ZINC000329603229	676645798	/nfs/dbraw/zinc/64/57/98/676645798.db2.gz	GEVPUBFFBXTIPE-CQSZACIVSA-N	1	0	368.478	1.951	20	30		FDEDRO
O=C(CN1CCSC[C@@H]1CO)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000329619986	676646268	/nfs/dbraw/zinc/64/62/68/676646268.db2.gz	FINUWBSWQQVIJD-INIZCTEOSA-N	1	0	371.547	1.388	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)NC[C@H]2CN(C)CCO2)c2ccsc2S1(=O)=O	ZINC000329663614	676648237	/nfs/dbraw/zinc/64/82/37/676648237.db2.gz	PGIUNVQDDYBTDF-GVXVVHGQSA-N	1	0	373.500	1.189	20	30		FDEDRO
CC[N@@H+]1C[C@H](C)N(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)C[C@H]1C	ZINC000329698742	676650366	/nfs/dbraw/zinc/65/03/66/676650366.db2.gz	FTKXWYZXSLWXOP-ZHEUNLNZSA-N	1	0	351.451	1.880	20	30		FDEDRO
C[N@H+](CCO)C1CCN(C(=O)NC2CCN(c3nccs3)CC2)CC1	ZINC000329774079	676654923	/nfs/dbraw/zinc/65/49/23/676654923.db2.gz	LWYKQNZKPOMGKA-UHFFFAOYSA-N	1	0	367.519	1.414	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)CCC1	ZINC000329786407	676656140	/nfs/dbraw/zinc/65/61/40/676656140.db2.gz	XWLFQSSIWUZTRU-UHFFFAOYSA-N	1	0	357.520	1.818	20	30		FDEDRO
Cc1noc([C@H](C)N2CCN(C(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)n1	ZINC000329810207	676658046	/nfs/dbraw/zinc/65/80/46/676658046.db2.gz	QMBQSZDDHOGHKR-KCQAQPDRSA-N	1	0	350.467	1.453	20	30		FDEDRO
CS(=O)(=O)c1ccc(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)s1	ZINC000329874422	676661890	/nfs/dbraw/zinc/66/18/90/676661890.db2.gz	FRJGJCJVMFCXGP-GFCCVEGCSA-N	1	0	357.501	1.736	20	30		FDEDRO
O=C(CN1CCOCC1=O)NC[C@@H]1C[C@H](F)CN1Cc1cccs1	ZINC000329894022	676662704	/nfs/dbraw/zinc/66/27/04/676662704.db2.gz	AYLCHFLGNIUUFZ-STQMWFEESA-N	1	0	355.435	1.476	20	30		FDEDRO
O=C(NCC1CC[NH+](Cc2cccs2)CC1)N[C@H]1CC[S@@](=O)C1	ZINC000329984311	676667335	/nfs/dbraw/zinc/66/73/35/676667335.db2.gz	CDBACMQXGATXKV-PSLXWICFSA-N	1	0	355.529	1.985	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@]2(CNC(=O)C2)C1	ZINC000329990324	676667703	/nfs/dbraw/zinc/66/77/03/676667703.db2.gz	WBXITCASLPTACI-QAPCUYQASA-N	1	0	351.495	1.369	20	30		FDEDRO
O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1COCCN1CC(F)F	ZINC000329995954	676668215	/nfs/dbraw/zinc/66/82/15/676668215.db2.gz	OASSVJXKKHJEDU-ZFWWWQNUSA-N	1	0	361.433	1.410	20	30		FDEDRO
Cn1cnc2c(c1=O)CCN(C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)C2	ZINC000330048501	676670309	/nfs/dbraw/zinc/67/03/09/676670309.db2.gz	IOLGFHARJSOLIF-HNNXBMFYSA-N	1	0	361.471	1.417	20	30		FDEDRO
Cc1noc([C@@H]2CCCN(C(=O)NC[C@@]3([NH+](C)C)CCSC3)C2)n1	ZINC000330172310	676676559	/nfs/dbraw/zinc/67/65/59/676676559.db2.gz	XWCLDXXYLYWSDN-CJNGLKHVSA-N	1	0	353.492	1.909	20	30		FDEDRO
C[C@@H]1Cc2cc(C(=O)NC[C@@](C)(O)C[NH+](C)C)ccc2N1S(C)(=O)=O	ZINC000330385865	676687850	/nfs/dbraw/zinc/68/78/50/676687850.db2.gz	UGTYUGXEVJBIMI-SJKOYZFVSA-N	1	0	369.487	1.014	20	30		FDEDRO
COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O	ZINC000330397085	676688860	/nfs/dbraw/zinc/68/88/60/676688860.db2.gz	OQEUUNGJVUZEOD-LYYZXLFJSA-N	1	0	355.479	1.313	20	30		FDEDRO
COC(=O)[C@]1(C)CN(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C	ZINC000330432184	676690503	/nfs/dbraw/zinc/69/05/03/676690503.db2.gz	WVRHVLXJWIFMFR-RVKKMQEKSA-N	1	0	355.479	1.388	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H](NC(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)C1	ZINC000330591700	676697642	/nfs/dbraw/zinc/69/76/42/676697642.db2.gz	OJGWPFKLDFJNSB-TUAOUCFPSA-N	1	0	350.385	1.526	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)C1	ZINC000330611706	676698235	/nfs/dbraw/zinc/69/82/35/676698235.db2.gz	QEILYPUPNRGGJW-SOUVJXGZSA-N	1	0	360.524	1.177	20	30		FDEDRO
C[C@@H](C[NH+](C)C)NC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1	ZINC000330682440	676700565	/nfs/dbraw/zinc/70/05/65/676700565.db2.gz	QGAVRFGCKDOIIA-NSHDSACASA-N	1	0	361.489	1.024	20	30		FDEDRO
CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1	ZINC000330771582	676703684	/nfs/dbraw/zinc/70/36/84/676703684.db2.gz	VNAKZXUHWZOWRJ-JKSUJKDBSA-N	1	0	374.551	1.426	20	30		FDEDRO
C[C@H](CCNC(=O)N1CCC(N(C)S(C)(=O)=O)CC1)[NH+]1CCCCC1	ZINC000330817624	676705093	/nfs/dbraw/zinc/70/50/93/676705093.db2.gz	MGRRQJWPDFOWHI-OAHLLOKOSA-N	1	0	374.551	1.521	20	30		FDEDRO
C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1	ZINC000330907641	676709311	/nfs/dbraw/zinc/70/93/11/676709311.db2.gz	FGRHFHMWKBOTBY-HZPDHXFCSA-N	1	0	353.488	1.913	20	30		FDEDRO
C[C@H]1CN(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)C[C@H](CO)O1	ZINC000330954899	676710997	/nfs/dbraw/zinc/71/09/97/676710997.db2.gz	GWSZDHSTQJICIU-SMDDNHRTSA-N	1	0	350.419	1.259	20	30		FDEDRO
CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccccc2S(=O)(=O)N(C)C)C1	ZINC000331257831	676724397	/nfs/dbraw/zinc/72/43/97/676724397.db2.gz	YMKCNBSSOKCZRJ-CQSZACIVSA-N	1	0	368.503	1.899	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)C[C@H]1C	ZINC000331287653	676725625	/nfs/dbraw/zinc/72/56/25/676725625.db2.gz	NWUVKQAPTFLELH-UKRRQHHQSA-N	1	0	368.503	1.945	20	30		FDEDRO
CC(C)(C)[C@@H]1CC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C[C@H]1O	ZINC000331314888	676726926	/nfs/dbraw/zinc/72/69/26/676726926.db2.gz	CRIAZVNLOQGFBJ-GHMZBOCLSA-N	1	0	353.385	1.698	20	30		FDEDRO
Cc1cc(S(N)(=O)=O)ccc1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C	ZINC000331339141	676728207	/nfs/dbraw/zinc/72/82/07/676728207.db2.gz	MIEKDASREYYWLU-MRXNPFEDSA-N	1	0	368.503	1.328	20	30		FDEDRO
CC[C@@H](CNS(=O)(=O)N(C)[C@H](C)CC#N)[N@@H+]1CCc2ccccc2C1	ZINC000332669946	676743846	/nfs/dbraw/zinc/74/38/46/676743846.db2.gz	HNQWUGLZUGVSKO-QAPCUYQASA-N	1	0	364.515	1.892	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(CC2([NH+]3CCSCC3)CCCCC2)C1=O	ZINC000348584802	676787145	/nfs/dbraw/zinc/78/71/45/676787145.db2.gz	JBJWRLXDCBKFRB-OAHLLOKOSA-N	1	0	367.515	1.861	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2ccccc2C#N)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000362398724	676917502	/nfs/dbraw/zinc/91/75/02/676917502.db2.gz	YJNKZYFOHULJQZ-NVXWUHKLSA-N	1	0	362.499	1.205	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)CC1	ZINC000363659913	676967686	/nfs/dbraw/zinc/96/76/86/676967686.db2.gz	KOIWYWNRTKQHOB-INIZCTEOSA-N	1	0	351.516	1.845	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CCO1	ZINC000366203572	677421222	/nfs/dbraw/zinc/42/12/22/677421222.db2.gz	NWADYSBTLNEWPS-JXQTWKCFSA-N	1	0	360.380	1.726	20	30		FDEDRO
COC(=O)[C@@H]1CN(C(=O)Nc2ccc(CC#N)cc2Cl)CC[N@H+](C)C1	ZINC000417175506	679747535	/nfs/dbraw/zinc/74/75/35/679747535.db2.gz	JNJCPKATJLOKPL-ZDUSSCGKSA-N	1	0	364.833	1.975	20	30		FDEDRO
CNC(=O)CN1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000370207839	677552589	/nfs/dbraw/zinc/55/25/89/677552589.db2.gz	XOKDOMKDBXKGQC-UHFFFAOYSA-N	1	0	353.388	1.811	20	30		FDEDRO
C[C@@H]1C[C@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C[C@H]1C[NH3+]	ZINC000422551577	680740107	/nfs/dbraw/zinc/74/01/07/680740107.db2.gz	FFVQITSETMDWQR-GRYCIOLGSA-N	1	0	352.416	1.460	20	30		FDEDRO
C[C@@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000374231150	678075236	/nfs/dbraw/zinc/07/52/36/678075236.db2.gz	UQSYNVOZGKKYGE-WBMJQRKESA-N	1	0	362.861	1.991	20	30		FDEDRO
CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)cc1	ZINC000374256061	678075724	/nfs/dbraw/zinc/07/57/24/678075724.db2.gz	UNBRFQHOJQCESZ-GOSISDBHSA-N	1	0	362.499	1.693	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1	ZINC000374416031	678078999	/nfs/dbraw/zinc/07/89/99/678078999.db2.gz	PFLACRNVVDFANK-RDJZCZTQSA-N	1	0	370.519	1.042	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1	ZINC000374447113	678080813	/nfs/dbraw/zinc/08/08/13/678080813.db2.gz	QABHSQRPWMVIKH-INIZCTEOSA-N	1	0	356.536	1.767	20	30		FDEDRO
Cc1ccccc1C[N@H+]1CCCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1	ZINC000374449799	678081405	/nfs/dbraw/zinc/08/14/05/678081405.db2.gz	PQJXEDZHFCAZEY-MRXNPFEDSA-N	1	0	364.515	1.839	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1	ZINC000374456044	678081990	/nfs/dbraw/zinc/08/19/90/678081990.db2.gz	HULUBUZJPQGHIB-MRXNPFEDSA-N	1	0	358.508	1.044	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1	ZINC000374583714	678087343	/nfs/dbraw/zinc/08/73/43/678087343.db2.gz	IROGBNSDUWSKEK-RDJZCZTQSA-N	1	0	350.488	1.671	20	30		FDEDRO
CC(C)(C#N)CCS(=O)(=O)NCC1(N2CCOCC2)CCCCC1	ZINC000375056501	678094057	/nfs/dbraw/zinc/09/40/57/678094057.db2.gz	HACJWUGOMQJYNR-UHFFFAOYSA-N	1	0	357.520	1.881	20	30		FDEDRO
C=CCNC(=O)C[NH+]1CCC([C@H]2CCCCCN2C(=O)COC)CC1	ZINC000375811685	678178777	/nfs/dbraw/zinc/17/87/77/678178777.db2.gz	OTRIFLDSQYERMR-QGZVFWFLSA-N	1	0	351.491	1.418	20	30		FDEDRO
C=CCC[C@H](O)C[NH+]1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000377544513	678559070	/nfs/dbraw/zinc/55/90/70/678559070.db2.gz	QEZKJIVRRCXDPA-SJORKVTESA-N	1	0	353.507	1.941	20	30		FDEDRO
CCC[NH+]1CCN(C2CCN(S(=O)(=O)CCC(C)(C)C#N)CC2)CC1	ZINC000377838672	678623408	/nfs/dbraw/zinc/62/34/08/678623408.db2.gz	BBYCJIJOEASQRJ-UHFFFAOYSA-N	1	0	370.563	1.748	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)CCC(C)(C)C#N)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000377883138	678642083	/nfs/dbraw/zinc/64/20/83/678642083.db2.gz	IBINGMDVCVESSO-HOTGVXAUSA-N	1	0	356.536	1.214	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](N3CC[NH+]([C@H]4CCSC4)CC3)C2=O)cc1	ZINC000378015962	678672937	/nfs/dbraw/zinc/67/29/37/678672937.db2.gz	CGWWMULUPVZICG-ROUUACIJSA-N	1	0	356.495	1.787	20	30		FDEDRO
C=CCNc1ncc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)s1	ZINC000378309411	678737558	/nfs/dbraw/zinc/73/75/58/678737558.db2.gz	NMPJAQQEDNDZHI-HUUCEWRRSA-N	1	0	363.531	1.839	20	30		FDEDRO
Cc1ncsc1C(=O)NC1CC[NH+](CCC(=O)N(C)CCC#N)CC1	ZINC000378415114	678746866	/nfs/dbraw/zinc/74/68/66/678746866.db2.gz	MBAJJZRBWHEMTH-UHFFFAOYSA-N	1	0	363.487	1.408	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1	ZINC000409502387	678854079	/nfs/dbraw/zinc/85/40/79/678854079.db2.gz	PJKJZFHDZUGFBW-HYVNUMGLSA-N	1	0	372.535	1.070	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N(CC[NH+](C)C)Cc1ccccc1F	ZINC000409547882	678858037	/nfs/dbraw/zinc/85/80/37/678858037.db2.gz	MJWJGAHPNKUPQI-UHFFFAOYSA-N	1	0	356.467	1.670	20	30		FDEDRO
C=CCN1CC[C@@H]([NH+]2CCC(C(=O)NCCCOC(C)C)CC2)C1=O	ZINC000410319235	678889913	/nfs/dbraw/zinc/88/99/13/678889913.db2.gz	MGRUMDYJRIIZIS-QGZVFWFLSA-N	1	0	351.491	1.417	20	30		FDEDRO
CC[NH+](CC)CCCC1CCN(C(=O)C(=O)N(C)C[C@@H](C)C#N)CC1	ZINC000410787841	678951072	/nfs/dbraw/zinc/95/10/72/678951072.db2.gz	UPRVUGVVRPXFSV-INIZCTEOSA-N	1	0	350.507	1.965	20	30		FDEDRO
COC(=O)[C@@H]1CN(Cc2ccc(C#N)cc2Br)CC[N@H+](C)C1	ZINC000411916426	679096172	/nfs/dbraw/zinc/09/61/72/679096172.db2.gz	MOLYWXUNKDCJQD-AWEZNQCLSA-N	1	0	366.259	1.857	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NCCNC(=O)c1ccc(Br)cc1	ZINC000424104725	680829928	/nfs/dbraw/zinc/82/99/28/680829928.db2.gz	UFLMDTRHPSZJIY-CYBMUJFWSA-N	1	0	367.247	1.316	20	30		FDEDRO
C[C@H]([NH2+][C@H](CO)[C@@H]1CCCOC1)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000411998173	679140376	/nfs/dbraw/zinc/14/03/76/679140376.db2.gz	VNOHPSABNAETQC-NORZTCDRSA-N	1	0	351.834	1.916	20	30		FDEDRO
C=C[C@H]1CCCCN1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1	ZINC000413630855	679286756	/nfs/dbraw/zinc/28/67/56/679286756.db2.gz	WAAFVCATNWGSRV-KRWDZBQOSA-N	1	0	350.507	1.533	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(C[NH3+])CC2)cc1	ZINC000414901530	679373674	/nfs/dbraw/zinc/37/36/74/679373674.db2.gz	XDPVEBNJPVBHDE-UHFFFAOYSA-N	1	0	366.487	1.696	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H]([NH3+])C1	ZINC000415356546	679413606	/nfs/dbraw/zinc/41/36/06/679413606.db2.gz	QOPOGQZKYBWEEZ-NSHDSACASA-N	1	0	368.231	1.512	20	30		FDEDRO
C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000415415131	679426778	/nfs/dbraw/zinc/42/67/78/679426778.db2.gz	QDEMZOMVVCILMC-VIFPVBQESA-N	1	0	353.220	1.231	20	30		FDEDRO
C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1	ZINC000415459706	679434398	/nfs/dbraw/zinc/43/43/98/679434398.db2.gz	MOYYYKLLLKHOAL-SMDDNHRTSA-N	1	0	358.833	2.517	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1	ZINC000415459705	679434429	/nfs/dbraw/zinc/43/44/29/679434429.db2.gz	MOYYYKLLLKHOAL-RISCZKNCSA-N	1	0	358.833	2.517	20	30		FDEDRO
C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000415484117	679438104	/nfs/dbraw/zinc/43/81/04/679438104.db2.gz	BVQZLBFCOQDOAS-GFCCVEGCSA-N	1	0	365.231	1.470	20	30		FDEDRO
CC(C)C[C@H](C[NH3+])NC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1	ZINC000415591812	679460186	/nfs/dbraw/zinc/46/01/86/679460186.db2.gz	BCXQIXDOQBGSCU-TZMCWYRMSA-N	1	0	352.460	1.867	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC[NH2+]CC2(C)C)cc1	ZINC000415600317	679462121	/nfs/dbraw/zinc/46/21/21/679462121.db2.gz	NQZWFFRQVWJXPC-DOMZBBRYSA-N	1	0	364.471	1.882	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCC[NH2+]C2CC2)cc1	ZINC000415603165	679462884	/nfs/dbraw/zinc/46/28/84/679462884.db2.gz	TUTJZDWAGYATTG-LBPRGKRZSA-N	1	0	350.444	1.636	20	30		FDEDRO
N#Cc1ccc(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1F	ZINC000415743052	679490419	/nfs/dbraw/zinc/49/04/19/679490419.db2.gz	MJIPQNRZDAZSQO-ZDUSSCGKSA-N	1	0	359.327	1.655	20	30		FDEDRO
N#CCc1ccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Cl)c1	ZINC000415761714	679494697	/nfs/dbraw/zinc/49/46/97/679494697.db2.gz	URBVTDMRYVDLGD-OKILXGFUSA-N	1	0	360.845	1.803	20	30		FDEDRO
N#CCc1cccc(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1	ZINC000415808902	679510141	/nfs/dbraw/zinc/51/01/41/679510141.db2.gz	MMCCMDHGBWKEGK-CQSZACIVSA-N	1	0	355.364	1.710	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NCCC[NH2+]C2CC2)cc1C(F)(F)F	ZINC000415864417	679529737	/nfs/dbraw/zinc/52/97/37/679529737.db2.gz	WNPMZFWCORDODV-UHFFFAOYSA-N	1	0	354.332	1.774	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000416392064	679600866	/nfs/dbraw/zinc/60/08/66/679600866.db2.gz	UEKXDDKBCFDJNC-OLZOCXBDSA-N	1	0	354.451	1.470	20	30		FDEDRO
C[N@@H+]1CC[C@H](CNS(=O)(=O)c2cccc(Br)c2C#N)C1	ZINC000416493219	679639046	/nfs/dbraw/zinc/63/90/46/679639046.db2.gz	DATZNKPUNYZBDH-SNVBAGLBSA-N	1	0	358.261	1.551	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)NCCC[C@@H]3CCC[NH2+]3)CC2)c1C#N	ZINC000418756149	680118674	/nfs/dbraw/zinc/11/86/74/680118674.db2.gz	YAYVZPDNWHKUJZ-AWEZNQCLSA-N	1	0	362.503	1.687	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N[C@H]1CCC[C@@H]1C[NH3+])c1ccc(F)c(F)c1	ZINC000419676381	680316756	/nfs/dbraw/zinc/31/67/56/680316756.db2.gz	LTISDKLTFCRHTB-KCXAZCMYSA-N	1	0	351.397	1.942	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C	ZINC000420046286	680394444	/nfs/dbraw/zinc/39/44/44/680394444.db2.gz	VQBAXYAPBPBJHP-GXTWGEPZSA-N	1	0	351.472	1.492	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1	ZINC000420413495	680442421	/nfs/dbraw/zinc/44/24/21/680442421.db2.gz	CRWNVSGGEUNBKB-MWLCHTKSSA-N	1	0	358.261	1.679	20	30		FDEDRO
CC[C@@H](CS(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)OC	ZINC000420653921	680501762	/nfs/dbraw/zinc/50/17/62/680501762.db2.gz	ADGDUWVJTGEPSU-KRWDZBQOSA-N	1	0	353.488	1.677	20	30		FDEDRO
C=CCn1cc(CNC(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)nn1	ZINC000425438178	680901081	/nfs/dbraw/zinc/90/10/81/680901081.db2.gz	ACIRIPFXKRJMJI-UHFFFAOYSA-N	1	0	350.467	1.153	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1	ZINC000425909793	680940930	/nfs/dbraw/zinc/94/09/30/680940930.db2.gz	RAQSVGSFQMQQGH-HOCLYGCPSA-N	1	0	365.499	1.346	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1	ZINC000430374359	681073706	/nfs/dbraw/zinc/07/37/06/681073706.db2.gz	HLSRMGVJHYLABV-BBWFWOEESA-N	1	0	351.491	1.274	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(CC)CCC[NH+]1CCCC1	ZINC000430385468	681074492	/nfs/dbraw/zinc/07/44/92/681074492.db2.gz	MBWHFOCZBPFHAN-SJORKVTESA-N	1	0	351.491	1.418	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1	ZINC000432334003	681153253	/nfs/dbraw/zinc/15/32/53/681153253.db2.gz	DRZZTWLHOGYKDH-AWEZNQCLSA-N	1	0	367.471	1.346	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(C#N)c(Cl)c2)CCCO1	ZINC000432340189	681153744	/nfs/dbraw/zinc/15/37/44/681153744.db2.gz	LSZYYPIMVYIJIT-CYBMUJFWSA-N	1	0	371.890	1.991	20	30		FDEDRO
C[N@H+](CCCCCO)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000434684956	681510652	/nfs/dbraw/zinc/51/06/52/681510652.db2.gz	NPUVWCAWALRFKI-MRXNPFEDSA-N	1	0	364.515	1.551	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)CC1	ZINC000444709531	682421727	/nfs/dbraw/zinc/42/17/27/682421727.db2.gz	SIIDGELNBUGHHC-GJZGRUSLSA-N	1	0	360.424	1.953	20	30		FDEDRO
C[C@@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000448176684	682599548	/nfs/dbraw/zinc/59/95/48/682599548.db2.gz	JHRFJCYAUVGAOS-IAQYHMDHSA-N	1	0	352.416	1.652	20	30		FDEDRO
C[N@@H+]1CC[C@H](CNC(=O)COc2ccc(C#N)c(Br)c2)C1	ZINC000449789243	682712002	/nfs/dbraw/zinc/71/20/02/682712002.db2.gz	FMJMNCUVWFMDBH-LLVKDONJSA-N	1	0	352.232	1.767	20	30		FDEDRO
CC1(C)CN(C(=O)COc2cccc(Br)c2C#N)CC[NH2+]1	ZINC000450082992	682733200	/nfs/dbraw/zinc/73/32/00/682733200.db2.gz	VFEUMRWKWZHXQT-UHFFFAOYSA-N	1	0	352.232	1.910	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNc2ncc(Br)cc2C#N)CC1	ZINC000450260067	682748495	/nfs/dbraw/zinc/74/84/95/682748495.db2.gz	ZLYHLYARLJHOIJ-LBPRGKRZSA-N	1	0	352.280	2.154	20	30		FDEDRO
C[NH+](C)C[C@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CCO1	ZINC000451206080	682840113	/nfs/dbraw/zinc/84/01/13/682840113.db2.gz	CKYJBCLGZWUFRB-ZDUSSCGKSA-N	1	0	357.863	1.357	20	30		FDEDRO
C[N@H+]1C[C@H]2CN(C(=O)COc3cccc(Br)c3C#N)C[C@H]2C1	ZINC000451467077	682885733	/nfs/dbraw/zinc/88/57/33/682885733.db2.gz	RXUHMNCSNMGDCD-TXEJJXNPSA-N	1	0	364.243	1.720	20	30		FDEDRO
N#Cc1ncc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1Cl	ZINC000453746828	683204012	/nfs/dbraw/zinc/20/40/12/683204012.db2.gz	LMSCIWCNVMPLFV-CYBMUJFWSA-N	1	0	361.833	1.678	20	30		FDEDRO
N#Cc1ncc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1Cl	ZINC000453746831	683204027	/nfs/dbraw/zinc/20/40/27/683204027.db2.gz	LMSCIWCNVMPLFV-ZDUSSCGKSA-N	1	0	361.833	1.678	20	30		FDEDRO
C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000453751541	683205378	/nfs/dbraw/zinc/20/53/78/683205378.db2.gz	SVPPZTZEFICUFL-DGCLKSJQSA-N	1	0	361.833	1.630	20	30		FDEDRO
C[C@H](CNC(=O)Nc1cnc(C#N)c(Cl)c1)C[NH+]1CCN(C)CC1	ZINC000455788100	683500521	/nfs/dbraw/zinc/50/05/21/683500521.db2.gz	NWUKDEGAZCADOU-GFCCVEGCSA-N	1	0	350.854	1.612	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](CC)C[C@@H]2CC)cc1	ZINC000456359771	683614747	/nfs/dbraw/zinc/61/47/47/683614747.db2.gz	UTUJTLAIMPHVFG-INIZCTEOSA-N	1	0	365.499	1.707	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN(CCO)C[C@H]1C)C(C)C	ZINC000457744620	683783466	/nfs/dbraw/zinc/78/34/66/683783466.db2.gz	KSYMHDBZZVOWCZ-MSOLQXFVSA-N	1	0	352.523	1.393	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1	ZINC000458165638	683834969	/nfs/dbraw/zinc/83/49/69/683834969.db2.gz	BTCXJQACSKQKQM-OAHLLOKOSA-N	1	0	365.499	1.613	20	30		FDEDRO
C=CCOCCC[N@@H+](C)C[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1	ZINC000470852307	685080657	/nfs/dbraw/zinc/08/06/57/685080657.db2.gz	VQYTXSKFQDNEIY-HOTGVXAUSA-N	1	0	351.470	1.984	20	30		FDEDRO
N#CC1(CS(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CCC1	ZINC000477471850	685856553	/nfs/dbraw/zinc/85/65/53/685856553.db2.gz	ROPHJSQWNZMVTM-JKSUJKDBSA-N	1	0	355.504	1.368	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]([C@H](C)CO)C2CCCC2)CC1	ZINC000477637127	685869136	/nfs/dbraw/zinc/86/91/36/685869136.db2.gz	NWKKGQPVSBWKGP-SJLPKXTDSA-N	1	0	350.507	1.304	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@]1([NH+](C)C)CCSC1	ZINC000480275288	686150568	/nfs/dbraw/zinc/15/05/68/686150568.db2.gz	PPLAPZBJRKKVMC-SFHVURJKSA-N	1	0	363.531	1.900	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](CC2CCC2)[C@H](C)CO)CC1	ZINC000483140698	686471479	/nfs/dbraw/zinc/47/14/79/686471479.db2.gz	FYFFEEAQVPGMKJ-SJLPKXTDSA-N	1	0	350.507	1.162	20	30		FDEDRO
Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000494643070	687562555	/nfs/dbraw/zinc/56/25/55/687562555.db2.gz	MQCSTCJGIQDATE-HZPDHXFCSA-N	1	0	364.515	1.372	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ncc(COC)s2)CC1	ZINC000498764833	687853324	/nfs/dbraw/zinc/85/33/24/687853324.db2.gz	HTGPVNRRAACTKV-UHFFFAOYSA-N	1	0	352.460	1.385	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C	ZINC000506208115	688556907	/nfs/dbraw/zinc/55/69/07/688556907.db2.gz	GOLWCRASJHQSMB-KDOFPFPSSA-N	1	0	353.463	1.475	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C	ZINC000506208116	688557224	/nfs/dbraw/zinc/55/72/24/688557224.db2.gz	GOLWCRASJHQSMB-KSSFIOAISA-N	1	0	353.463	1.475	20	30		FDEDRO
CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1cccc(C#N)c1	ZINC000510775208	689419962	/nfs/dbraw/zinc/41/99/62/689419962.db2.gz	CZVCTHAYJJGIRY-JKSUJKDBSA-N	1	0	364.471	1.337	20	30		FDEDRO
COCC[N@H+](C)C[C@H](O)CN1CCN(c2ccc(C#N)cc2Cl)CC1	ZINC000516191291	689928438	/nfs/dbraw/zinc/92/84/38/689928438.db2.gz	KWBINZVCEBPZFY-INIZCTEOSA-N	1	0	366.893	1.273	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(S(N)(=O)=O)cn1)C(C)C	ZINC000516918290	690011133	/nfs/dbraw/zinc/01/11/33/690011133.db2.gz	HEBKZYVRBVBBMY-MRXNPFEDSA-N	1	0	366.487	1.157	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@@H]3C[NH2+]CCC3(F)F)C2)nc1	ZINC000517225735	690046575	/nfs/dbraw/zinc/04/65/75/690046575.db2.gz	HOXMXBWUMNVULW-CHWSQXEVSA-N	1	0	351.357	1.113	20	30		FDEDRO
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C	ZINC000518749129	690159877	/nfs/dbraw/zinc/15/98/77/690159877.db2.gz	PPSMTXNKRMLOHT-CHWSQXEVSA-N	1	0	364.471	1.058	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H](CCSC)NC(=O)c2ccco2)CC1	ZINC000521573534	694408551	/nfs/dbraw/zinc/40/85/51/694408551.db2.gz	BIPNIBDTCRWIPO-OAHLLOKOSA-N	1	0	365.499	1.898	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC2(C[NH3+])CCOCC2)cc1Br	ZINC000528056338	694698249	/nfs/dbraw/zinc/69/82/49/694698249.db2.gz	MMOSZXBZLSHNQH-UHFFFAOYSA-N	1	0	374.260	1.107	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(S(N)(=O)=O)cn1C)C(C)C	ZINC000531249194	694826845	/nfs/dbraw/zinc/82/68/45/694826845.db2.gz	VDEGAXKUSJDINW-MRXNPFEDSA-N	1	0	368.503	1.101	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC000641344136	696059557	/nfs/dbraw/zinc/05/95/57/696059557.db2.gz	UKKNJLNVNIEMFU-RDJZCZTQSA-N	1	0	365.499	1.186	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1N1CCN([C@H](CC)CO)CC1	ZINC000641405081	696090890	/nfs/dbraw/zinc/09/08/90/696090890.db2.gz	QCLLBXABRLHXHT-OAHLLOKOSA-N	1	0	353.488	1.044	20	30		FDEDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(C#N)c(OC)n1)C2	ZINC001164809769	720089814	/nfs/dbraw/zinc/08/98/14/720089814.db2.gz	KCCCPFLCSSEDHZ-APWZRJJASA-N	1	0	357.458	1.542	20	30		FDEDRO
CC(C)[N@H+]1[C@@H]2CCN(c3cncc(C#N)n3)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164841329	720519429	/nfs/dbraw/zinc/51/94/29/720519429.db2.gz	YKKISIGOLDFSKK-BPQIPLTHSA-N	1	0	351.458	1.923	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(Cl)cc(C#N)n1)CC2	ZINC001164751356	720952806	/nfs/dbraw/zinc/95/28/06/720952806.db2.gz	PVLYTQZBPVXJCY-UHFFFAOYSA-N	1	0	374.832	1.449	20	30		FDEDRO
Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)cnc4C#N)C[C@@H]3C2)cn1	ZINC001164773610	721092645	/nfs/dbraw/zinc/09/26/45/721092645.db2.gz	XTZQOWJNLKQNDU-KGLIPLIRSA-N	1	0	357.849	1.693	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n1	ZINC001164868520	721266757	/nfs/dbraw/zinc/26/67/57/721266757.db2.gz	AFRGCDMVMWQZBT-UHFFFAOYSA-N	1	0	371.485	1.269	20	30		FDEDRO
CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cncc(C#N)n4)C3)O2)CC1	ZINC001164889935	721392442	/nfs/dbraw/zinc/39/24/42/721392442.db2.gz	NAMWWLPMUJLBFY-HKUYNNGSSA-N	1	0	356.474	1.114	20	30		FDEDRO
C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncc(C#N)cc2Cl)CC3)CC1	ZINC001164796587	721509496	/nfs/dbraw/zinc/50/94/96/721509496.db2.gz	SSIPRWJASDJREF-UHFFFAOYSA-N	1	0	371.876	1.571	20	30		FDEDRO
Cc1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cnc1C#N	ZINC001164979705	722135244	/nfs/dbraw/zinc/13/52/44/722135244.db2.gz	LUVFSCLWMFGCGK-IEBWSBKVSA-N	1	0	364.453	1.779	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(Cn4cccn4)on3)[C@H]2C1	ZINC001083243507	782484443	/nfs/dbraw/zinc/48/44/43/782484443.db2.gz	GONYUNAXPXMGOZ-ZWKOTPCHSA-N	1	0	371.441	1.411	20	30		FDEDRO
N#CCCN1CCN(C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)CC1	ZINC000892256879	782553713	/nfs/dbraw/zinc/55/37/13/782553713.db2.gz	DRGKREHEIZVPDC-ROUUACIJSA-N	1	0	359.449	1.512	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)Cc3noc(C)c3C#N)cn2)CC1	ZINC000499817457	769778842	/nfs/dbraw/zinc/77/88/42/769778842.db2.gz	WYUGRIIJQLXGFY-UHFFFAOYSA-N	1	0	368.441	1.251	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(-c4ncon4)c3)[C@H]2C1	ZINC001083190217	770224129	/nfs/dbraw/zinc/22/41/29/770224129.db2.gz	DJRLLIOOCVSXTA-DLBZAZTESA-N	1	0	352.394	1.285	20	30		FDEDRO
C=CCOCC[NH2+]Cc1cn(C)nc1CN1C(=O)c2ccccc2C1=O	ZINC000657429585	782829302	/nfs/dbraw/zinc/82/93/02/782829302.db2.gz	KFCXDBCOOMHAKC-UHFFFAOYSA-N	1	0	354.410	1.509	20	30		FDEDRO
C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(Cc2ccc(C#N)cc2F)C1	ZINC000969705329	770694255	/nfs/dbraw/zinc/69/42/55/770694255.db2.gz	WKRZMUZJLMCJJG-PMUMKWKESA-N	1	0	358.461	1.974	20	30		FDEDRO
C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(Cc2cc(C#N)ccc2F)C1	ZINC000969704127	770703259	/nfs/dbraw/zinc/70/32/59/770703259.db2.gz	LOQBNTUGZWWPMH-HBUWYVDXSA-N	1	0	358.461	1.974	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(C)CC[N@@H+](C)CC1	ZINC000888996863	770772173	/nfs/dbraw/zinc/77/21/73/770772173.db2.gz	JNGYWWILKZSXFZ-UHFFFAOYSA-N	1	0	360.506	1.052	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@](C)(C(=O)NC)C2)cc1	ZINC000430262214	770863020	/nfs/dbraw/zinc/86/30/20/770863020.db2.gz	LGBQKBOSROOVPZ-HXUWFJFHSA-N	1	0	372.469	1.790	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2nc(-c3ccco3)no2)C1	ZINC001020604921	770982781	/nfs/dbraw/zinc/98/27/81/770982781.db2.gz	ULOPBDSTBUWUTI-SYQHCUMBSA-N	1	0	358.398	1.658	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H]3CN(CC#Cc4ccccc4)C[C@@H]32)C1	ZINC001083192932	771018949	/nfs/dbraw/zinc/01/89/49/771018949.db2.gz	VGUMCGKXUUBANF-HLAWJBBLSA-N	1	0	367.493	1.292	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(NC(C)=O)c2)C1	ZINC000970015190	771203693	/nfs/dbraw/zinc/20/36/93/771203693.db2.gz	RNQGIRREVZBYLQ-QRVBRYPASA-N	1	0	357.454	1.927	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)Cc2nnn(C(C)(C)C)n2)C[C@H]1C	ZINC001104230429	771274960	/nfs/dbraw/zinc/27/49/60/771274960.db2.gz	WTVCKYDKIMUREW-TZMCWYRMSA-N	1	0	368.913	1.797	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)nn2)C1	ZINC001020714903	771287484	/nfs/dbraw/zinc/28/74/84/771287484.db2.gz	BLRMNLQTTURFPC-OVWQWFNUSA-N	1	0	360.458	1.593	20	30		FDEDRO
C[NH+]=C(N[C@@H]1C[C@](C)(OC)C1(C)C)N[C@@H]1CCCN(c2ncccn2)C1	ZINC000176673666	782910879	/nfs/dbraw/zinc/91/08/79/782910879.db2.gz	ZTTBDZHSBRKYNH-CLCXKQKWSA-N	1	0	360.506	1.814	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)nc1	ZINC000535632877	771348058	/nfs/dbraw/zinc/34/80/58/771348058.db2.gz	SYTCHGZZIWKQRV-MSOLQXFVSA-N	1	0	350.422	1.566	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2nn(C)cc2Cl)C[C@H]1C	ZINC001104233387	771442404	/nfs/dbraw/zinc/44/24/04/771442404.db2.gz	RNYWQIGTUSZYSW-ZIAGYGMSSA-N	1	0	354.882	1.964	20	30		FDEDRO
CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCC3(CC#N)CC3)c2)CC1	ZINC000430356415	771664991	/nfs/dbraw/zinc/66/49/91/771664991.db2.gz	ULTYXLKGHACXFP-UHFFFAOYSA-N	1	0	369.469	1.577	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN(C)S(C)(=O)=O)C1	ZINC001104245431	771762973	/nfs/dbraw/zinc/76/29/73/771762973.db2.gz	HZTHSCWEFMANHN-HZPDHXFCSA-N	1	0	359.536	1.308	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCCOC)C1	ZINC001104245565	771775262	/nfs/dbraw/zinc/77/52/62/771775262.db2.gz	PPZXKESUCZACRF-IAGOWNOFSA-N	1	0	353.507	1.570	20	30		FDEDRO
C=CCOCC[N@H+]1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1	ZINC001167251187	771805934	/nfs/dbraw/zinc/80/59/34/771805934.db2.gz	BZGLZLGCCCNGLU-OAHLLOKOSA-N	1	0	355.479	1.542	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+][C@H](C)C(=O)NC(C)(C)C)CC1	ZINC001167277860	771856860	/nfs/dbraw/zinc/85/68/60/771856860.db2.gz	VUFRWQBKUZGNML-OAGGEKHMSA-N	1	0	365.518	1.757	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(CC)CC)C1	ZINC001210070629	771901197	/nfs/dbraw/zinc/90/11/97/771901197.db2.gz	NSFYNPKTWCMHBH-AOIWGVFYSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc(CO)ccc2F)C1	ZINC000970242066	772185220	/nfs/dbraw/zinc/18/52/20/772185220.db2.gz	RXRHFOFMSAWWHI-AOIWGVFYSA-N	1	0	362.445	1.990	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](NCc2nc(CC(C)C)no2)C1	ZINC000970242154	772185257	/nfs/dbraw/zinc/18/52/57/772185257.db2.gz	UQFNOAXHJYVEPT-VKJFTORMSA-N	1	0	362.474	1.940	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCCc4sc(C)nc43)[C@H]2C1	ZINC001083245692	783000045	/nfs/dbraw/zinc/00/00/45/783000045.db2.gz	DLWJBAIEMYGHFO-HRCADAONSA-N	1	0	359.495	1.806	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccns2)C[C@H]1C	ZINC001104254025	772359819	/nfs/dbraw/zinc/35/98/19/772359819.db2.gz	PJEVYAJMSRUHHC-HZSPNIEDSA-N	1	0	350.488	1.522	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CCN1c1cc[nH+]cc1	ZINC000890986579	772648884	/nfs/dbraw/zinc/64/88/84/772648884.db2.gz	KMKFTCLIVVLDCI-ZDUSSCGKSA-N	1	0	367.384	1.768	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4ccnc4)cn3)[C@H]2C1	ZINC001083246062	783036286	/nfs/dbraw/zinc/03/62/86/783036286.db2.gz	XKOXUWFOLWGVSY-RBUKOAKNSA-N	1	0	367.453	1.759	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(CCOC)CC2)C[C@H]1C	ZINC001104276810	772731725	/nfs/dbraw/zinc/73/17/25/772731725.db2.gz	MLBYYSNZYSWLIS-IXDOHACOSA-N	1	0	363.502	1.015	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NCC=C)C2)CCC1	ZINC001104279936	772757221	/nfs/dbraw/zinc/75/72/21/772757221.db2.gz	VUHMDDYTPPNFRY-FGTMMUONSA-N	1	0	359.514	1.945	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C[C@H]2CC[NH2+]C2)c1	ZINC000588528278	783058380	/nfs/dbraw/zinc/05/83/80/783058380.db2.gz	BDNQSLDQNJVVDO-SFKFPXOQSA-N	1	0	364.471	1.438	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCCc2nc(C)no2)C1	ZINC000970572169	772990236	/nfs/dbraw/zinc/99/02/36/772990236.db2.gz	RVCVWGQKFOSJFU-SKDZVZGDSA-N	1	0	362.474	1.728	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1CC[NH2+]Cc1ccccc1C#N	ZINC001104286594	773040306	/nfs/dbraw/zinc/04/03/06/773040306.db2.gz	FTNBATGPZKQCGP-GPMSIDNRSA-N	1	0	368.481	1.659	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)C(F)=C(C)C)[C@@H]3C2)CC1	ZINC001021376224	773094145	/nfs/dbraw/zinc/09/41/45/773094145.db2.gz	RVICUDSJDJVNDS-DLBZAZTESA-N	1	0	361.461	1.654	20	30		FDEDRO
COC[C@@H](C)NC(=S)NN=C(C)c1ccc(OCC[NH+](C)C)cc1	ZINC000748131597	773277501	/nfs/dbraw/zinc/27/75/01/773277501.db2.gz	LBPKLCTWALKCAN-CYBMUJFWSA-N	1	0	352.504	1.850	20	30		FDEDRO
C[N@H+](CC(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1)C1CCC1	ZINC001021426103	773296574	/nfs/dbraw/zinc/29/65/74/773296574.db2.gz	KYLUXDGMCRPRKW-SUMWQHHRSA-N	1	0	355.442	1.044	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)CC[N@@H+]1C	ZINC001021426268	773297850	/nfs/dbraw/zinc/29/78/50/773297850.db2.gz	NRJZBTGDBUGKQU-YRBFXIGRSA-N	1	0	369.469	1.290	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)Cc4ccoc4)[C@@H]3C2)CC1	ZINC001021450061	773390042	/nfs/dbraw/zinc/39/00/42/773390042.db2.gz	MHZXZPPLMCETJJ-RBUKOAKNSA-N	1	0	369.465	1.227	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C)c(C)n2)C[C@H]1C	ZINC001104421409	783174708	/nfs/dbraw/zinc/17/47/08/783174708.db2.gz	RMNBUMCIAHNFMK-KBAYOESNSA-N	1	0	370.497	1.524	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn4cc(C)cnc34)[C@H]2C1	ZINC001083210016	774415398	/nfs/dbraw/zinc/41/53/98/774415398.db2.gz	HCWUEFGMMSBHQY-DLBZAZTESA-N	1	0	355.442	1.529	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnn(C)c2)C1	ZINC001104306277	774442531	/nfs/dbraw/zinc/44/25/31/774442531.db2.gz	VDJRXGHAWAPYOI-QRQLOZEOSA-N	1	0	357.502	1.092	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ncccn2)C1	ZINC001104306273	774442551	/nfs/dbraw/zinc/44/25/51/774442551.db2.gz	UWIFCOGQNIIRDL-KURKYZTESA-N	1	0	355.486	1.148	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C[C@H]1C	ZINC001104307821	774466056	/nfs/dbraw/zinc/46/60/56/774466056.db2.gz	NQNHBURVRVXZMH-NCXUSEDFSA-N	1	0	372.513	1.985	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C(C)(F)F)[C@@H]3C2)CC1	ZINC000971068113	774622387	/nfs/dbraw/zinc/62/23/87/774622387.db2.gz	ZKNVOJHXUNBOMO-HUUCEWRRSA-N	1	0	353.413	1.046	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1	ZINC001104323874	774970735	/nfs/dbraw/zinc/97/07/35/774970735.db2.gz	CAAIMEYUCXDVFJ-RHSMWYFYSA-N	1	0	365.437	1.942	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1CC[NH2+]CC#Cc1ccccc1	ZINC001104329507	775331635	/nfs/dbraw/zinc/33/16/35/775331635.db2.gz	MANSOHXEZMQLNA-MISYRCLQSA-N	1	0	367.493	1.781	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3[nH]nc(C(F)(F)F)c3C)[C@H]2C1	ZINC001083214551	775524078	/nfs/dbraw/zinc/52/40/78/775524078.db2.gz	DQTXVHHGOODBPP-NWDGAFQWSA-N	1	0	358.364	1.838	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1CC[C@H](C(=O)OC)C[C@@H]1[C@@H]1CCCO1	ZINC000933174897	776005687	/nfs/dbraw/zinc/00/56/87/776005687.db2.gz	DMROHNHJERAZEL-BBWFWOEESA-N	1	0	352.475	1.844	20	30		FDEDRO
COc1nccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2c[nH]c(C#N)c2)n1	ZINC001087151661	776019165	/nfs/dbraw/zinc/01/91/65/776019165.db2.gz	DSFZTCJLRRAWBK-DYVFJYSZSA-N	1	0	368.441	1.715	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1nc(C)no1)C2	ZINC001112503386	776116082	/nfs/dbraw/zinc/11/60/82/776116082.db2.gz	NPNWCRCYMMLTSJ-LPHOPBHVSA-N	1	0	360.458	1.179	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)c4ccsc4)C[C@H]32)CC1	ZINC001021883823	776486302	/nfs/dbraw/zinc/48/63/02/776486302.db2.gz	LNPFRIRFRPJRLY-FUHWJXTLSA-N	1	0	371.506	1.766	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2ccc(=O)[nH]n2)C1	ZINC001075419009	776500635	/nfs/dbraw/zinc/50/06/35/776500635.db2.gz	NCZBTTXOFWAZIT-NVXWUHKLSA-N	1	0	368.412	1.790	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@@]4(C)C=CCC4)C[C@H]32)CC1	ZINC001021886652	776501605	/nfs/dbraw/zinc/50/16/05/776501605.db2.gz	KVMQCUXCAHKMKC-JQVVWYNYSA-N	1	0	369.509	1.747	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C[C@H]1C	ZINC001104352088	776601622	/nfs/dbraw/zinc/60/16/22/776601622.db2.gz	BFPNAXCGPRJKLI-TUVASFSCSA-N	1	0	364.408	1.983	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2cnnn2C)C1	ZINC001075421162	777059081	/nfs/dbraw/zinc/05/90/81/777059081.db2.gz	PGYHRIMHPKHWJH-NVXWUHKLSA-N	1	0	357.433	1.976	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c(C)c(C)nn(C)c1=O)C2	ZINC001112506094	777475489	/nfs/dbraw/zinc/47/54/89/777475489.db2.gz	ZAJJMNDBFXBSCN-JXFKEZNVSA-N	1	0	358.486	1.805	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CC2CC(F)(F)C2)C[C@H]1C	ZINC001104364790	777741910	/nfs/dbraw/zinc/74/19/10/777741910.db2.gz	FXTNHHUSNCLRDT-IJEWVQPXSA-N	1	0	369.456	1.634	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@]2(C)CCOc3ccccc32)CC1	ZINC000933374182	777817984	/nfs/dbraw/zinc/81/79/84/777817984.db2.gz	KQFYNPIWUVBVPK-NQIIRXRSSA-N	1	0	370.497	1.966	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc3n(n2)CCCC3)C1	ZINC001022099887	777918830	/nfs/dbraw/zinc/91/88/30/777918830.db2.gz	SVWDUAYMHBHAFO-OHQAAIJDSA-N	1	0	358.486	1.937	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C#CC2CC2)[C@H](C[NH2+]Cc2cccc(C(N)=O)c2)C1	ZINC001087164159	778094527	/nfs/dbraw/zinc/09/45/27/778094527.db2.gz	KSCQKARIGQJPNG-BEFAXECRSA-N	1	0	353.466	1.916	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1	ZINC001104375221	778589945	/nfs/dbraw/zinc/58/99/45/778589945.db2.gz	BHGFHUJDYNAMLE-AYOQOUSVSA-N	1	0	368.481	1.659	20	30		FDEDRO
Cc1noc(C[C@@H]2CCC[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)n1	ZINC000933576851	778799687	/nfs/dbraw/zinc/79/96/87/778799687.db2.gz	QHWOTVKYPNRPKI-DLBZAZTESA-N	1	0	356.426	1.944	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]32)nc1	ZINC001022293209	779182089	/nfs/dbraw/zinc/18/20/89/779182089.db2.gz	NFUYHJAEMDDBDO-UHOSZYNNSA-N	1	0	368.481	1.322	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOCC(F)(F)F	ZINC001111489970	779198406	/nfs/dbraw/zinc/19/84/06/779198406.db2.gz	PIANZZLHEWCSKN-MCIONIFRSA-N	1	0	350.381	1.880	20	30		FDEDRO
CC(C)[C@H](CNC(=O)NCC#C[C@@H]1CCCCO1)[NH+]1CCN(C)CC1	ZINC000891753702	779265453	/nfs/dbraw/zinc/26/54/53/779265453.db2.gz	FCOREIZFPBFSHZ-ROUUACIJSA-N	1	0	350.507	1.130	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)c4ccn(C)c4)[C@@H]3C2)CC1	ZINC000971805202	779293918	/nfs/dbraw/zinc/29/39/18/779293918.db2.gz	ITCKLSJGMSNFRU-IEBWSBKVSA-N	1	0	368.481	1.043	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C)C2)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087172685	779347757	/nfs/dbraw/zinc/34/77/57/779347757.db2.gz	NQSQCQQFXKAPON-MNEFBYGVSA-N	1	0	368.481	1.753	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)C4([NH+](C)C)CCC4)C[C@H]32)cc1	ZINC001022334952	779431211	/nfs/dbraw/zinc/43/12/11/779431211.db2.gz	CDVACWIWZMWPNY-RBUKOAKNSA-N	1	0	365.477	1.825	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1	ZINC000971827917	779623965	/nfs/dbraw/zinc/62/39/65/779623965.db2.gz	AAIRYCDUDBKHJI-KBRIMQKVSA-N	1	0	355.442	1.044	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2sccc2-n2cnnn2)C[C@H]1C	ZINC001104384673	779711441	/nfs/dbraw/zinc/71/14/41/779711441.db2.gz	DEUSQRSTAHKZIA-ZIAGYGMSSA-N	1	0	358.471	1.435	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CN(C)CC(=O)NC(C)C)C[C@H]1C	ZINC001104384815	779728827	/nfs/dbraw/zinc/72/88/27/779728827.db2.gz	KLGCIUZJEZRYIB-QZTJIDSGSA-N	1	0	366.550	1.483	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)Cc3ccccc3NC(C)=O)[C@H]2C1	ZINC001083228869	779848592	/nfs/dbraw/zinc/84/85/92/779848592.db2.gz	XEYXUPTXDFCLBB-RBUKOAKNSA-N	1	0	357.454	1.675	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1	ZINC000276872834	779978643	/nfs/dbraw/zinc/97/86/43/779978643.db2.gz	CUUNJYQEWUMBMF-QAPCUYQASA-N	1	0	364.396	1.588	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cccnc1C#N	ZINC000277104579	780748695	/nfs/dbraw/zinc/74/86/95/780748695.db2.gz	XBFDNHZRJXDNEM-UHFFFAOYSA-N	1	0	369.450	1.577	20	30		FDEDRO
CCC1([NH+]2CCC2)CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1	ZINC000891965602	780848535	/nfs/dbraw/zinc/84/85/35/780848535.db2.gz	DKDMEDZOMYUREU-UHFFFAOYSA-N	1	0	358.446	1.212	20	30		FDEDRO
CN(CC(C)(C)C#N)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000458281790	780863561	/nfs/dbraw/zinc/86/35/61/780863561.db2.gz	UYSIHYDYJOGAPX-UHFFFAOYSA-N	1	0	373.505	1.570	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)c4coc(C)n4)[C@@H]3C2)CC1	ZINC000971913316	781015765	/nfs/dbraw/zinc/01/57/65/781015765.db2.gz	TWSWHEVYAJZGFZ-SJLPKXTDSA-N	1	0	370.453	1.001	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(c2ccc(F)cc2C#N)CC1)[C@@H]1CCC[NH2+]C1	ZINC000891979706	781019068	/nfs/dbraw/zinc/01/90/68/781019068.db2.gz	AYKLQMHXTDFAKX-LSDHHAIUSA-N	1	0	359.449	1.917	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1C	ZINC001104397486	781263034	/nfs/dbraw/zinc/26/30/34/781263034.db2.gz	OBSKYBBYXVSZBX-BRWVUGGUSA-N	1	0	363.502	1.954	20	30		FDEDRO
C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1	ZINC000971996033	781362729	/nfs/dbraw/zinc/36/27/29/781362729.db2.gz	LEYUWOCLUOTKHJ-ZGXWSNOMSA-N	1	0	369.465	1.642	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1C#N	ZINC000472111193	781652555	/nfs/dbraw/zinc/65/25/55/781652555.db2.gz	UBVWNSJMPNUZMT-CVEARBPZSA-N	1	0	371.489	1.059	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(OCC(N)=O)cc2)C[C@H]1C	ZINC001104399283	781762881	/nfs/dbraw/zinc/76/28/81/781762881.db2.gz	BGUMMGYWHPGGIL-NVXWUHKLSA-N	1	0	359.470	1.815	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCCCOC)C[C@H]1c1ccccc1	ZINC001211553997	783350459	/nfs/dbraw/zinc/35/04/59/783350459.db2.gz	REACMDPFGYDMJV-RBUKOAKNSA-N	1	0	371.481	1.137	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C#N)s2)C1	ZINC000972348623	783395097	/nfs/dbraw/zinc/39/50/97/783395097.db2.gz	MJNMVCSRWOYVRU-WQVCFCJDSA-N	1	0	360.483	1.377	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N(C)CC(=O)N2CCCCCC2)C1	ZINC000972374287	783521957	/nfs/dbraw/zinc/52/19/57/783521957.db2.gz	QMDJFQCZCJGUCA-KSZLIROESA-N	1	0	363.502	1.513	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2cnc(OC)nc2C)C1	ZINC000972374393	783522077	/nfs/dbraw/zinc/52/20/77/783522077.db2.gz	SNOPDPXNOOBLQN-ZACQAIPSSA-N	1	0	360.458	1.417	20	30		FDEDRO
C=CCn1c([C@@H]2CCO[C@H]2C)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000647372611	783745855	/nfs/dbraw/zinc/74/58/55/783745855.db2.gz	QKYCRLFNQMWPPM-GVDBMIGSSA-N	1	0	361.490	1.515	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)c1	ZINC001024157437	784026724	/nfs/dbraw/zinc/02/67/24/784026724.db2.gz	BBBMREKJNJKTBN-IMJJTQAJSA-N	1	0	358.417	1.147	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001024158237	784036112	/nfs/dbraw/zinc/03/61/12/784036112.db2.gz	NGIFQQCMPSLFJI-JLZZUVOBSA-N	1	0	358.417	1.147	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001024157417	784066141	/nfs/dbraw/zinc/06/61/41/784066141.db2.gz	ATZCQURMASCJBU-OTWHNJEPSA-N	1	0	368.481	1.611	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1	ZINC000658522397	784231018	/nfs/dbraw/zinc/23/10/18/784231018.db2.gz	OLNSQYSPFSKCIV-SJORKVTESA-N	1	0	351.491	1.370	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1	ZINC000658554306	784297436	/nfs/dbraw/zinc/29/74/36/784297436.db2.gz	FFIKIDUQRKQLJF-ZWKOTPCHSA-N	1	0	362.518	1.040	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)C1	ZINC000658578032	784454419	/nfs/dbraw/zinc/45/44/19/784454419.db2.gz	UAWXEZPCRSRGES-MRXNPFEDSA-N	1	0	351.491	1.106	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H]3CCN(C(=O)c4ccc(=O)[nH]n4)[C@@H]3C2)s1	ZINC001075528167	791063325	/nfs/dbraw/zinc/06/33/25/791063325.db2.gz	WJZDNORKWRGGTL-XHDPSFHLSA-N	1	0	355.423	1.462	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccn(CCOC)n2)C[C@H]1c1ccccc1	ZINC001211631908	784927862	/nfs/dbraw/zinc/92/78/62/784927862.db2.gz	VJQOFMZNYUYWLE-AZUAARDMSA-N	1	0	366.465	1.751	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1	ZINC000364353636	784981222	/nfs/dbraw/zinc/98/12/22/784981222.db2.gz	MRXMHRMWMFGYSO-OALUTQOASA-N	1	0	368.481	1.897	20	30		FDEDRO
C=C(C)[C@H]1OCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C	ZINC000375826832	785066324	/nfs/dbraw/zinc/06/63/24/785066324.db2.gz	WITKBHQIRRETKE-CQVOFGJFSA-N	1	0	363.502	1.558	20	30		FDEDRO
CC(C)[NH+]1CCN([C@H]2CCN(CC(=O)NCc3ccc(C#N)cc3)C2)CC1	ZINC000375889062	785223682	/nfs/dbraw/zinc/22/36/82/785223682.db2.gz	JADZOHCQGXGPCV-FQEVSTJZSA-N	1	0	369.513	1.275	20	30		FDEDRO
C=C(C)CN1C[C@H]2OCCN(C(=O)COc3ccc(C)cc3OC)[C@H]2C1	ZINC001083268058	785266973	/nfs/dbraw/zinc/26/69/73/785266973.db2.gz	HZVRBINNENJUID-QFBILLFUSA-N	1	0	360.454	1.870	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC2(C)CC2)C[C@H]1c1ccccc1	ZINC001211634768	785349334	/nfs/dbraw/zinc/34/93/34/785349334.db2.gz	FCHVEBDWZQDPSJ-ZWKOTPCHSA-N	1	0	353.466	1.510	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c(OC)c1	ZINC000375953072	785360848	/nfs/dbraw/zinc/36/08/48/785360848.db2.gz	HPLBWGJQADUHGS-KRWDZBQOSA-N	1	0	359.470	1.309	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1	ZINC000413837122	785509691	/nfs/dbraw/zinc/50/96/91/785509691.db2.gz	QJOLWSRHCRJBCE-QZTJIDSGSA-N	1	0	359.470	1.920	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)cc1	ZINC001024656510	785635728	/nfs/dbraw/zinc/63/57/28/785635728.db2.gz	MIJMRVJHBQYVHC-NXHRZFHOSA-N	1	0	370.453	1.181	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCC(=O)N(CCC#N)CCC#N	ZINC000376053087	785693101	/nfs/dbraw/zinc/69/31/01/785693101.db2.gz	CTKCGCZPMOYPTE-SQNIBIBYSA-N	1	0	361.490	1.121	20	30		FDEDRO
Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cccc(C#N)c3C)CC2)c1	ZINC000431706100	785958057	/nfs/dbraw/zinc/95/80/57/785958057.db2.gz	CIJNGUNVESDJJD-UHFFFAOYSA-N	1	0	363.421	1.857	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1conc1C1CC1)C2	ZINC001112528000	805671036	/nfs/dbraw/zinc/67/10/36/805671036.db2.gz	HSOPUKRQAGJXHP-LIRRHRJNSA-N	1	0	371.441	1.024	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC000658902930	787146808	/nfs/dbraw/zinc/14/68/08/787146808.db2.gz	JBPCLSWYFIXHMZ-SFHVURJKSA-N	1	0	371.481	1.801	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000936119141	787297856	/nfs/dbraw/zinc/29/78/56/787297856.db2.gz	FFRBVSIBPVZNMO-OIISXLGYSA-N	1	0	354.410	1.256	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3csc4nccn34)[C@H]2C1	ZINC001083276848	787480346	/nfs/dbraw/zinc/48/03/46/787480346.db2.gz	ZQRXUFIJJGNBSY-JKSUJKDBSA-N	1	0	360.483	1.816	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cn2nnnc2C(C)C)C[C@H]1c1ccccc1	ZINC001211683975	805794211	/nfs/dbraw/zinc/79/42/11/805794211.db2.gz	GGPGSZRVXKOBTR-ZWKOTPCHSA-N	1	0	366.469	1.404	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21	ZINC000978828087	805803251	/nfs/dbraw/zinc/80/32/51/805803251.db2.gz	FWPGZPWRPPIONS-FKSLSLAPSA-N	1	0	358.486	1.548	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccnn3C)C[C@H]21	ZINC000978833043	805814601	/nfs/dbraw/zinc/81/46/01/805814601.db2.gz	ONGSTJWECNVTPL-FKSLSLAPSA-N	1	0	358.486	1.585	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1	ZINC000658986186	787721378	/nfs/dbraw/zinc/72/13/78/787721378.db2.gz	WPHBQQBCTXCXGX-HUUCEWRRSA-N	1	0	370.450	1.396	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCc3cnn(C)c3)C[C@H]21	ZINC000978835243	805816444	/nfs/dbraw/zinc/81/64/44/805816444.db2.gz	CWKSLYYKOFRRBQ-FKSLSLAPSA-N	1	0	358.486	1.238	20	30		FDEDRO
C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CCC(n2cnc(C#N)n2)CC1	ZINC000376432435	787761581	/nfs/dbraw/zinc/76/15/81/787761581.db2.gz	HOPZNVRTKKLDCS-OAHLLOKOSA-N	1	0	359.478	1.617	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C)C2)C[C@H]1c1ccccc1	ZINC001211684370	805826663	/nfs/dbraw/zinc/82/66/63/805826663.db2.gz	UKNBDLOQUKFRFZ-YZGWKJHDSA-N	1	0	367.493	1.852	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnc3cccnn32)C[C@H]1c1ccccc1	ZINC001211684435	805827104	/nfs/dbraw/zinc/82/71/04/805827104.db2.gz	YBSBARQZLIDSDG-ZWKOTPCHSA-N	1	0	359.433	1.950	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NCC)C1	ZINC001104561932	787888643	/nfs/dbraw/zinc/88/86/43/787888643.db2.gz	BVXOMUDYHGJOAB-ARFHVFGLSA-N	1	0	366.506	1.509	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1cnnn1C	ZINC001025108372	787927966	/nfs/dbraw/zinc/92/79/66/787927966.db2.gz	XZCXUSQDAXKMQB-SZMVWBNQSA-N	1	0	361.490	1.657	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1	ZINC000659074822	787947017	/nfs/dbraw/zinc/94/70/17/787947017.db2.gz	MTCPOWMBWCYZBY-IXDOHACOSA-N	1	0	359.426	1.136	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@]2(COC)CCOC2)C[C@H]1c1ccccc1	ZINC001211642971	788129668	/nfs/dbraw/zinc/12/96/68/788129668.db2.gz	WJGOIHJWMYYFKG-ZVDOUQERSA-N	1	0	356.466	1.647	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1	ZINC000978874928	805871336	/nfs/dbraw/zinc/87/13/36/805871336.db2.gz	NTOBDXDGBLNWMA-RANZSIQMSA-N	1	0	363.502	1.320	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(OC)c(F)c2)nn1	ZINC000659355502	788589245	/nfs/dbraw/zinc/58/92/45/788589245.db2.gz	KWFVSHFBOYNIBR-HOCLYGCPSA-N	1	0	373.432	1.877	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2Cc3ccc(F)cc32)C[C@H]1C	ZINC001104587034	788736385	/nfs/dbraw/zinc/73/63/85/788736385.db2.gz	FAPPFIVDOMNTMF-IDHHARJASA-N	1	0	371.456	1.289	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NCCC)C1	ZINC001104607252	788849142	/nfs/dbraw/zinc/84/91/42/788849142.db2.gz	NOFJNAHAJQFGCL-HZPDHXFCSA-N	1	0	366.506	1.653	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)c(F)c1	ZINC000659502318	789057043	/nfs/dbraw/zinc/05/70/43/789057043.db2.gz	VOPZZRMSBLDYIC-ORQFMDKSSA-N	1	0	363.433	1.923	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CC2=CCOCC2)C[C@H]1C	ZINC001104634972	789068694	/nfs/dbraw/zinc/06/86/94/789068694.db2.gz	PDMCKGJDIDKKCC-SOLBZPMBSA-N	1	0	363.502	1.488	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2occc2Cl)C[C@H]1C	ZINC001104641638	789115471	/nfs/dbraw/zinc/11/54/71/789115471.db2.gz	XZRAMZROLLUSEQ-CHWSQXEVSA-N	1	0	351.834	1.370	20	30		FDEDRO
C=C(Br)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](COC)OC)C[C@H]1C	ZINC001104648846	789146241	/nfs/dbraw/zinc/14/62/41/789146241.db2.gz	RSSIFZJQPIZLKG-MRVWCRGKSA-N	1	0	363.296	1.631	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1	ZINC000892694229	789171847	/nfs/dbraw/zinc/17/18/47/789171847.db2.gz	DQOXPZSXZOYGNI-ZNMIVQPWSA-N	1	0	350.463	1.555	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccnn1-c1ccccc1	ZINC000189997812	789240637	/nfs/dbraw/zinc/24/06/37/789240637.db2.gz	ZHBVMCPNQFNQQT-UHFFFAOYSA-N	1	0	368.441	1.505	20	30		FDEDRO
C=CC[C@H](CO)CNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)c(F)c1	ZINC000659595859	789262186	/nfs/dbraw/zinc/26/21/86/789262186.db2.gz	UZJLNAIHGFJLEK-QRTARXTBSA-N	1	0	365.449	1.764	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1CC[NH2+]Cc1ccccc1C#N	ZINC001104675306	789283346	/nfs/dbraw/zinc/28/33/46/789283346.db2.gz	TUTYUUHNZBZVMW-FQELHTAISA-N	1	0	368.481	1.659	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2nccc3[nH]ccc32)C[C@H]1C	ZINC001104694285	789463196	/nfs/dbraw/zinc/46/31/96/789463196.db2.gz	KARHEHSMJAAYGC-HUUCEWRRSA-N	1	0	367.453	1.000	20	30		FDEDRO
CC[C@@H]1C[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(CC)CCC#N)C1	ZINC001104702889	789524371	/nfs/dbraw/zinc/52/43/71/789524371.db2.gz	IFZGHBIZFFSUJE-BRSBDYLESA-N	1	0	362.518	1.869	20	30		FDEDRO
C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCC[NH2+]Cc1cccnc1	ZINC000659709256	789549724	/nfs/dbraw/zinc/54/97/24/789549724.db2.gz	ATWGAKIEMXMMHZ-ROUUACIJSA-N	1	0	358.486	1.929	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2nnn(C)c2C)C1	ZINC001087424603	805996313	/nfs/dbraw/zinc/99/63/13/805996313.db2.gz	HNNQSDYOMGPEEQ-QZTJIDSGSA-N	1	0	351.454	1.735	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(OCC4CC4)nc3)[C@H]2C1	ZINC001083283436	791199982	/nfs/dbraw/zinc/19/99/82/791199982.db2.gz	AXMUCCVWKAQKHQ-ZWKOTPCHSA-N	1	0	357.454	1.972	20	30		FDEDRO
COC(=O)C1(C#N)CCN(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CC1	ZINC000892791253	791238172	/nfs/dbraw/zinc/23/81/72/791238172.db2.gz	DCIWQEAYDMTQFN-INIZCTEOSA-N	1	0	356.426	1.189	20	30		FDEDRO
CC(C)(CCC#N)CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCCCC2)c1	ZINC000377262013	791401096	/nfs/dbraw/zinc/40/10/96/791401096.db2.gz	WCNSSXJFMFOETM-UHFFFAOYSA-N	1	0	374.489	1.754	20	30		FDEDRO
C[N@@H+]1C[C@@H](CNC(=O)NC2CCN(CC#N)CC2)[C@H](c2ccccc2)C1	ZINC000892879471	791548420	/nfs/dbraw/zinc/54/84/20/791548420.db2.gz	LDUDACCDNDQLOW-MJGOQNOKSA-N	1	0	355.486	1.619	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1	ZINC001087424799	806082693	/nfs/dbraw/zinc/08/26/93/806082693.db2.gz	QPMPMHWDJRMZND-POZUXBRTSA-N	1	0	352.438	1.855	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)COC[C@@H]2CCOC2)C[C@H]1C	ZINC001104746365	791683994	/nfs/dbraw/zinc/68/39/94/791683994.db2.gz	GMXRHNGVOHHPCY-KZNAEPCWSA-N	1	0	354.491	1.316	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1CC(N)=NOCC(=O)NCCOc1cccc(F)c1	ZINC000174146855	791744706	/nfs/dbraw/zinc/74/47/06/791744706.db2.gz	LKOFZJLPVVVYSO-CQSZACIVSA-N	1	0	366.437	1.484	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)cc1	ZINC000415265429	791783806	/nfs/dbraw/zinc/78/38/06/791783806.db2.gz	DUTLITIHZHAFKY-MRXNPFEDSA-N	1	0	370.453	1.389	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1	ZINC001025687377	791829754	/nfs/dbraw/zinc/82/97/54/791829754.db2.gz	ROMCLABRHCGQLW-PJIJBLCYSA-N	1	0	369.481	1.099	20	30		FDEDRO
C=CCc1ccc(OCC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(OC)c1	ZINC000377468247	791911975	/nfs/dbraw/zinc/91/19/75/791911975.db2.gz	ASHLHPIQSMBYRE-SJORKVTESA-N	1	0	360.454	1.782	20	30		FDEDRO
C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	ZINC000415326536	791930768	/nfs/dbraw/zinc/93/07/68/791930768.db2.gz	ALJHDJTXETYFSB-CYBMUJFWSA-N	1	0	365.393	1.504	20	30		FDEDRO
COC(=O)[C@H](Nc1ccn(C2CC[NH+](C)CC2)n1)c1cccc(C#N)c1	ZINC000377502687	791980571	/nfs/dbraw/zinc/98/05/71/791980571.db2.gz	NXENJSWYNPWCDW-GOSISDBHSA-N	1	0	353.426	2.348	20	30		FDEDRO
Cn1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(OCC#N)cc4)C[C@H]32)cn1	ZINC001075534015	792021313	/nfs/dbraw/zinc/02/13/13/792021313.db2.gz	SDNAXFUHNGSTAG-QFBILLFUSA-N	1	0	365.437	1.669	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)CN4CCCC4=O)[C@@H]3C2)cc1	ZINC001075535212	792231356	/nfs/dbraw/zinc/23/13/56/792231356.db2.gz	YJUNXAKNBFWPCU-ZWKOTPCHSA-N	1	0	352.438	1.213	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1	ZINC000415433358	792260463	/nfs/dbraw/zinc/26/04/63/792260463.db2.gz	HVDLUKOCTNQQBG-CMPLNLGQSA-N	1	0	366.368	1.684	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1	ZINC000415437663	792270881	/nfs/dbraw/zinc/27/08/81/792270881.db2.gz	KQIVWIOUUACGHC-HIFRSBDPSA-N	1	0	358.442	1.870	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@]2(CO)CCCc3ccccc32)nc1	ZINC000377599067	792302548	/nfs/dbraw/zinc/30/25/48/792302548.db2.gz	DCPXYOBWDPCFLS-LJQANCHMSA-N	1	0	371.462	1.541	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC[C@@H]1[NH3+]	ZINC000415462212	792309475	/nfs/dbraw/zinc/30/94/75/792309475.db2.gz	OSYIWAKTWPQMKX-KXBFYZLASA-N	1	0	362.433	1.616	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H]2C(=O)NC[C@H]2C1	ZINC000377665440	792458167	/nfs/dbraw/zinc/45/81/67/792458167.db2.gz	GWLMUFQZPNDRGS-JKIFEVAISA-N	1	0	358.417	1.529	20	30		FDEDRO
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)c1C	ZINC000415538829	792485562	/nfs/dbraw/zinc/48/55/62/792485562.db2.gz	KLOBWSYUXZNTSK-MRXNPFEDSA-N	1	0	366.425	1.153	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2	ZINC000415549474	792486363	/nfs/dbraw/zinc/48/63/63/792486363.db2.gz	HAZPQFGHSKEVKV-UHFFFAOYSA-N	1	0	370.453	1.886	20	30		FDEDRO
C#CC[C@@]1(C(=O)NCC[N@@H+](C)CCOC)CCCN1C(=O)OC(C)(C)C	ZINC000377679701	792499591	/nfs/dbraw/zinc/49/95/91/792499591.db2.gz	OZLSQXJAUQIOSO-IBGZPJMESA-N	1	0	367.490	1.474	20	30		FDEDRO
CC(C)(C#N)c1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1	ZINC000377723042	792630698	/nfs/dbraw/zinc/63/06/98/792630698.db2.gz	GQYQZQVFQKLYTP-DLBZAZTESA-N	1	0	370.453	1.406	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCc2nc(C#N)cs2)[C@@H](C)C1	ZINC000893050155	792643102	/nfs/dbraw/zinc/64/31/02/792643102.db2.gz	HRSIKVJEFLZANB-DZGCQCFKSA-N	1	0	365.503	1.951	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NC(=O)NCc2nc(C#N)cs2)[C@@H](C)C1	ZINC000893050158	792644283	/nfs/dbraw/zinc/64/42/83/792644283.db2.gz	HRSIKVJEFLZANB-ZFWWWQNUSA-N	1	0	365.503	1.951	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C	ZINC000415676796	792798394	/nfs/dbraw/zinc/79/83/94/792798394.db2.gz	NJMRYXDEVMBCND-CQSZACIVSA-N	1	0	359.474	1.948	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N(CC[NH3+])CCc2ccccc2)c1	ZINC000415694388	792840480	/nfs/dbraw/zinc/84/04/80/792840480.db2.gz	OVPUBPYPHVVZOG-UHFFFAOYSA-N	1	0	350.422	1.721	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(=O)NC3CCCC3)C[C@H]21	ZINC001026055157	793028874	/nfs/dbraw/zinc/02/88/74/793028874.db2.gz	YVAVRSBWGQGJBQ-HZYJHYJVSA-N	1	0	361.486	1.071	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](Cc3ccccc3)OC)C[C@H]21	ZINC001026056853	793033775	/nfs/dbraw/zinc/03/37/75/793033775.db2.gz	GFPLENATWDHANH-SQDPYLFBSA-N	1	0	370.493	1.882	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1	ZINC000415820708	793048305	/nfs/dbraw/zinc/04/83/05/793048305.db2.gz	LUUWVNBRFXXQRU-JKSUJKDBSA-N	1	0	370.453	1.744	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCCN2c2cccnn2)CC1	ZINC000377911101	793057343	/nfs/dbraw/zinc/05/73/43/793057343.db2.gz	MTFARRVIOUOGBU-KRWDZBQOSA-N	1	0	358.490	1.737	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C[C@@H]1C[NH3+]	ZINC000415840258	793111643	/nfs/dbraw/zinc/11/16/43/793111643.db2.gz	FZMAERYOLIGQHZ-CABCVRRESA-N	1	0	358.442	1.751	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)c1	ZINC000415864183	793210184	/nfs/dbraw/zinc/21/01/84/793210184.db2.gz	VOTLEQGUBNXPHR-ZWKOTPCHSA-N	1	0	366.396	1.979	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)cc1	ZINC000415866609	793223688	/nfs/dbraw/zinc/22/36/88/793223688.db2.gz	ZRVJEKPBRNEJAU-UHFFFAOYSA-N	1	0	352.438	1.767	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCN(CC)C3=O)C[C@H]21	ZINC001026096234	793284661	/nfs/dbraw/zinc/28/46/61/793284661.db2.gz	ZZGGKQDPDPDJKD-MNWMBMHPSA-N	1	0	361.486	1.025	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCN(CC)C3=O)C[C@H]21	ZINC001026096235	793285404	/nfs/dbraw/zinc/28/54/04/793285404.db2.gz	ZZGGKQDPDPDJKD-SOMFZHDCSA-N	1	0	361.486	1.025	20	30		FDEDRO
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCOC2(C[NH2+]C2)C1	ZINC000415894782	793334724	/nfs/dbraw/zinc/33/47/24/793334724.db2.gz	PDRDZVSBGJIVFH-CYBMUJFWSA-N	1	0	374.466	1.220	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cnc3cccnn32)C[C@H]1C	ZINC001104764911	793536568	/nfs/dbraw/zinc/53/65/68/793536568.db2.gz	WESYEIUZIYFZGJ-HZPDHXFCSA-N	1	0	357.458	1.620	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2nnn(C)c2C(F)(F)F)C[C@H]1C	ZINC001104769371	793556256	/nfs/dbraw/zinc/55/62/56/793556256.db2.gz	RFANYJDXNINTGI-VXGBXAGGSA-N	1	0	357.380	1.545	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2ccccc2O)C[C@H]1C(F)(F)F	ZINC001112048557	793603915	/nfs/dbraw/zinc/60/39/15/793603915.db2.gz	AKVOTAUZAOCEON-ZIAGYGMSSA-N	1	0	356.344	1.635	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)C#Cc1ccc2c(c1)OCO2	ZINC000378220348	793747477	/nfs/dbraw/zinc/74/74/77/793747477.db2.gz	KBHSDYQEFHZCSE-JFIYKMOQSA-N	1	0	356.422	1.477	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000378298436	793911424	/nfs/dbraw/zinc/91/14/24/793911424.db2.gz	ZPTQXJCJGDTUKY-UXHICEINSA-N	1	0	370.497	1.873	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCn2cccc2)C[C@H]1C	ZINC001104836573	793975239	/nfs/dbraw/zinc/97/52/39/793975239.db2.gz	SWSGTXUYJCCCFR-FGTMMUONSA-N	1	0	360.502	1.643	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCC2)C[C@H]1C	ZINC001104855223	794074000	/nfs/dbraw/zinc/07/40/00/794074000.db2.gz	CNNBJZWEHKIWNF-HZPDHXFCSA-N	1	0	356.532	1.994	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1	ZINC000378405418	794096724	/nfs/dbraw/zinc/09/67/24/794096724.db2.gz	DFUGSAFGOCMGRA-KRWDZBQOSA-N	1	0	360.502	1.863	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCC[C@H]2Cn2cccn2)CC1	ZINC000378425977	794113200	/nfs/dbraw/zinc/11/32/00/794113200.db2.gz	GQCKCROAKJRSRQ-OALUTQOASA-N	1	0	372.517	1.430	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cnoc2C(C)C)C[C@H]1C	ZINC001104864027	794122355	/nfs/dbraw/zinc/12/23/55/794122355.db2.gz	WUXSSKABAKQSLE-HUUCEWRRSA-N	1	0	360.458	1.235	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)Cn2cc(C)cn2)C[C@H]1C(F)(F)F	ZINC001112057696	794130757	/nfs/dbraw/zinc/13/07/57/794130757.db2.gz	HOLPPZMXNZNPPD-ZIAGYGMSSA-N	1	0	360.380	1.373	20	30		FDEDRO
C[C@H]1COCC[N@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000378445990	794145388	/nfs/dbraw/zinc/14/53/88/794145388.db2.gz	VZNNHIVRXWUXES-VQIMIIECSA-N	1	0	374.460	1.503	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3nc[nH]c3C2)C[C@H]1C	ZINC001104881571	794202008	/nfs/dbraw/zinc/20/20/08/794202008.db2.gz	HAPLXULJPNVJSJ-BRWVUGGUSA-N	1	0	360.502	1.791	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(N)=O)C1	ZINC001104892905	794242175	/nfs/dbraw/zinc/24/21/75/794242175.db2.gz	IZCCDPXLENAUTE-QLFBSQMISA-N	1	0	360.458	1.208	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(CF)CCOCC1)C2	ZINC001112529841	806314301	/nfs/dbraw/zinc/31/43/01/806314301.db2.gz	RGQVXDIVTIMNRI-PXNSSMCTSA-N	1	0	366.477	1.621	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3n[nH]nc3C2)C[C@H]1C	ZINC001104904706	794311988	/nfs/dbraw/zinc/31/19/88/794311988.db2.gz	HSLSQBGKZSJSLN-BZUAXINKSA-N	1	0	361.490	1.186	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](NC(N)=O)C(C)(C)C)C[C@H]1C	ZINC001104905603	794327195	/nfs/dbraw/zinc/32/71/95/794327195.db2.gz	MIZOZSOHQVCRCP-OAGGEKHMSA-N	1	0	368.522	1.346	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)Cn2cc3ccccc3n2)C[C@H]1C	ZINC001104921819	794398412	/nfs/dbraw/zinc/39/84/12/794398412.db2.gz	PHMGAGPZPFKYHF-QZTJIDSGSA-N	1	0	368.481	1.760	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ccn(C)n3)C2)nc1	ZINC001104924151	794420492	/nfs/dbraw/zinc/42/04/92/794420492.db2.gz	IPDTZVOPTQVVAT-NVXWUHKLSA-N	1	0	351.454	1.684	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nncs3)C2)nc1	ZINC001104924093	794420582	/nfs/dbraw/zinc/42/05/82/794420582.db2.gz	GJIRVLLMOOTASY-UKRRQHHQSA-N	1	0	355.467	1.802	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](C)c3nnnn3C)C2)cn1	ZINC001104927530	794434613	/nfs/dbraw/zinc/43/46/13/794434613.db2.gz	IBVPDOUVSQVJCC-IIAWOOMASA-N	1	0	367.457	1.035	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cccc(OC)c2)C[C@H]1C	ZINC001104947492	794533104	/nfs/dbraw/zinc/53/31/04/794533104.db2.gz	TUBLKPZJXNFXLE-JFIYKMOQSA-N	1	0	371.481	1.521	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC)C1	ZINC001104954727	794553156	/nfs/dbraw/zinc/55/31/56/794553156.db2.gz	PPOGRMQIFKLQEW-JTDSTZFVSA-N	1	0	355.482	1.419	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2Cc3cccnc3C2)C[C@H]1C	ZINC001104957667	794567856	/nfs/dbraw/zinc/56/78/56/794567856.db2.gz	KJVRDIIQSGAJAK-BHIYHBOVSA-N	1	0	355.482	1.520	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1	ZINC000974179840	794636751	/nfs/dbraw/zinc/63/67/51/794636751.db2.gz	GXIWNVQIMRSXJA-YVSFHVDLSA-N	1	0	361.486	1.359	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](CN(C)c3ccnc(C#N)n3)C2)CC[N@@H+]1C	ZINC001058708563	794770868	/nfs/dbraw/zinc/77/08/68/794770868.db2.gz	PCCVQZIXCXUULW-IXDOHACOSA-N	1	0	370.501	1.753	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)CCc2c(C)noc2C)C[C@H]1C	ZINC001104995861	794789616	/nfs/dbraw/zinc/78/96/16/794789616.db2.gz	HKHAMOUDSFWMLX-CRAIPNDOSA-N	1	0	361.486	1.948	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C[C@H]1C	ZINC001104996796	794800212	/nfs/dbraw/zinc/80/02/12/794800212.db2.gz	LFZXWQPFADOJDE-KZNAEPCWSA-N	1	0	359.514	1.875	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3ccco3)C2)CC1	ZINC000974224398	794814327	/nfs/dbraw/zinc/81/43/27/794814327.db2.gz	YYGDYUNXCDLLEI-XMTFNYHQSA-N	1	0	369.465	1.492	20	30		FDEDRO
CC(C)C[C@@H](CNc1ncccc1C#N)NC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC001105002243	794831956	/nfs/dbraw/zinc/83/19/56/794831956.db2.gz	ZECRRIDJULZAKZ-HYVNUMGLSA-N	1	0	359.474	1.615	20	30		FDEDRO
CC(C)C[C@@H](CNc1ccncc1C#N)NC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC001105002249	794831992	/nfs/dbraw/zinc/83/19/92/794831992.db2.gz	ZHVWUHIGFHAHTF-UWWQBHOKSA-N	1	0	359.474	1.037	20	30		FDEDRO
Cc1cc(C#N)ccc1CONC(N)=C1C(=[NH2+])C2(CCCC2)N(C)C1=O	ZINC000185992717	794835048	/nfs/dbraw/zinc/83/50/48/794835048.db2.gz	ULSHLYIJLZFATD-UHFFFAOYSA-N	1	0	353.426	1.653	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)c2ccccc2F)C[C@H]1C	ZINC001105005062	794841455	/nfs/dbraw/zinc/84/14/55/794841455.db2.gz	YUZQQTOLXPEHLE-HZPDHXFCSA-N	1	0	359.445	1.653	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cccnc2N(C)C)C[C@H]1C	ZINC001105007677	794889402	/nfs/dbraw/zinc/88/94/02/794889402.db2.gz	SIKFBBHUWMZOIH-IAGOWNOFSA-N	1	0	358.486	1.485	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2ccnn2C)C1	ZINC001087426602	806372987	/nfs/dbraw/zinc/37/29/87/806372987.db2.gz	LMIBSYYEAWSNNI-WOJBJXKFSA-N	1	0	350.466	1.960	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)[C@H](C)CC)C[C@H]1C	ZINC001105025214	794965758	/nfs/dbraw/zinc/96/57/58/794965758.db2.gz	QCHDUBQHQSNJQZ-BRWVUGGUSA-N	1	0	353.507	1.426	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1CC[NH2+]Cc1cn(C)nn1	ZINC001105045555	795047648	/nfs/dbraw/zinc/04/76/48/795047648.db2.gz	WEPNXEKYMINKLU-IEBWSBKVSA-N	1	0	365.481	1.831	20	30		FDEDRO
CC[C@@H]([NH2+]CC[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C)C(N)=O	ZINC001105044897	795052170	/nfs/dbraw/zinc/05/21/70/795052170.db2.gz	HLUUERNGRBSJNO-BHIYHBOVSA-N	1	0	355.482	1.766	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2CCC(C)(C)CC2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001105080630	795184459	/nfs/dbraw/zinc/18/44/59/795184459.db2.gz	UHHSXCXNARONKI-NVXWUHKLSA-N	1	0	362.518	1.917	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C2CC2)C1	ZINC001105090236	795234149	/nfs/dbraw/zinc/23/41/49/795234149.db2.gz	NPWAKHGCZSJIHT-BZUAXINKSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCN(C(C)C)C2=O)C1	ZINC001105090311	795234319	/nfs/dbraw/zinc/23/43/19/795234319.db2.gz	QCSTWWSZMXXZKP-KZNAEPCWSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2CCC)C1	ZINC001105090691	795236975	/nfs/dbraw/zinc/23/69/75/795236975.db2.gz	GFUMRMCAGALQLN-OWCLPIDISA-N	1	0	364.494	1.248	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cnc(CC)s2)C[C@H]1C	ZINC001105090717	795237160	/nfs/dbraw/zinc/23/71/60/795237160.db2.gz	HQOLCFITZDLUSL-ZIAGYGMSSA-N	1	0	362.499	1.143	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCCOC(C)C)C[C@H]1C	ZINC001105100158	795280822	/nfs/dbraw/zinc/28/08/22/795280822.db2.gz	DCZZAOCRVQVMNZ-IAGOWNOFSA-N	1	0	351.491	1.015	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2COc3ccccc32)C[C@H]1C	ZINC001105108787	795314188	/nfs/dbraw/zinc/31/41/88/795314188.db2.gz	RXDSHAWPKPJHIO-LMMKCTJWSA-N	1	0	356.466	1.887	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000756541789	795396019	/nfs/dbraw/zinc/39/60/19/795396019.db2.gz	DJUSNRMRLBOWKB-MRXNPFEDSA-N	1	0	359.382	1.356	20	30		FDEDRO
C[C@H](CCCC[NH3+])NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000417982407	795444785	/nfs/dbraw/zinc/44/47/85/795444785.db2.gz	AEORDVSVUBJNJP-RHSMWYFYSA-N	1	0	357.458	1.870	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1	ZINC000974396125	795472017	/nfs/dbraw/zinc/47/20/17/795472017.db2.gz	CPTCZYIBKWIWDN-XDNAFOTISA-N	1	0	363.502	1.461	20	30		FDEDRO
C[C@@H](CCCC[NH3+])NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000418082638	795520342	/nfs/dbraw/zinc/52/03/42/795520342.db2.gz	XVALNQARAPOLTR-YOEHRIQHSA-N	1	0	357.458	1.476	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CC[C@@H](C)F)nn2)C1	ZINC001105242936	795532365	/nfs/dbraw/zinc/53/23/65/795532365.db2.gz	OEKLPEAJUHMETH-XYPHTWIQSA-N	1	0	365.453	1.480	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)nn1	ZINC001105265102	795634853	/nfs/dbraw/zinc/63/48/53/795634853.db2.gz	YFXPWEXYYREOQB-IAOVAPTHSA-N	1	0	369.473	1.633	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)NCCCN1CC[NH2+]CC1	ZINC000418285142	795699658	/nfs/dbraw/zinc/69/96/58/795699658.db2.gz	DTTCTLFAWKUPOP-UHFFFAOYSA-N	1	0	359.474	1.012	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)nn1	ZINC001105285660	795808004	/nfs/dbraw/zinc/80/80/04/795808004.db2.gz	SVGGXXDUHRWSHK-YSVXCWOHSA-N	1	0	371.485	1.529	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC(=O)N2CCCC2)C1	ZINC001112097419	795886601	/nfs/dbraw/zinc/88/66/01/795886601.db2.gz	DKXWOANWKXEYFV-ZIAGYGMSSA-N	1	0	359.392	1.247	20	30		FDEDRO
N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCCC2CC2)C[C@H]1c1ccccc1	ZINC001211657766	795920461	/nfs/dbraw/zinc/92/04/61/795920461.db2.gz	MJLFCFFFUKDEPH-RBUKOAKNSA-N	1	0	368.481	1.791	20	30		FDEDRO
C=CCCC1(C(=O)N(CCO)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001058729563	795940329	/nfs/dbraw/zinc/94/03/29/795940329.db2.gz	NATBAFGFLRIVTF-HZPDHXFCSA-N	1	0	351.491	1.010	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)C#CC4CC4)C[C@H]32)cc1	ZINC000974528894	796267085	/nfs/dbraw/zinc/26/70/85/796267085.db2.gz	ASDKOXRAKHTEMG-WOJBJXKFSA-N	1	0	365.477	1.835	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cncc(OC)n2)C1	ZINC001026850347	799991890	/nfs/dbraw/zinc/99/18/90/799991890.db2.gz	SNUIRJJEEWRKAB-UAGQMJEPSA-N	1	0	360.458	1.405	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(C#N)s3)C2)C1	ZINC001026851799	799999610	/nfs/dbraw/zinc/99/96/10/799999610.db2.gz	PXQNOOPKFXVRRR-DVOMOZLQSA-N	1	0	360.483	1.473	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1c1ccccc1	ZINC001211659529	800085542	/nfs/dbraw/zinc/08/55/42/800085542.db2.gz	LZSJQXLAHBEQAO-IPMKNSEASA-N	1	0	370.497	1.998	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3CCN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]32)c1	ZINC000975064760	800813435	/nfs/dbraw/zinc/81/34/35/800813435.db2.gz	GNLRIQAQUUSMHA-KBAYOESNSA-N	1	0	354.454	1.076	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCc2nc(C)no2)CC1(C)C	ZINC000975066352	800816735	/nfs/dbraw/zinc/81/67/35/800816735.db2.gz	RPJGREIDWNLJNY-OWCLPIDISA-N	1	0	362.474	1.728	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nc(CC)no2)C1	ZINC001027114138	800978874	/nfs/dbraw/zinc/97/88/74/800978874.db2.gz	QPCKMOIVLKGEFV-MPGHIAIKSA-N	1	0	362.474	1.941	20	30		FDEDRO
C=CC[C@]1(C(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)CCC[NH2+]1	ZINC000662630657	806904188	/nfs/dbraw/zinc/90/41/88/806904188.db2.gz	MCHBJOLHCYXWLQ-OXJNMPFZSA-N	1	0	357.454	1.481	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)c4ccc[nH]4)C[C@@H]32)CC1	ZINC000975571386	801583245	/nfs/dbraw/zinc/58/32/45/801583245.db2.gz	DMGVPXKFFYIBRS-LPHOPBHVSA-N	1	0	368.481	1.423	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)C4CC(C)C4)C[C@@H]32)CC1	ZINC000975650997	801837337	/nfs/dbraw/zinc/83/73/37/801837337.db2.gz	PCVHFNKOKRHVHQ-RZMNMVRNSA-N	1	0	371.525	1.827	20	30		FDEDRO
CC[C@H](C(=O)N1CC[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]21)[NH+](C)C	ZINC000975663030	801919425	/nfs/dbraw/zinc/91/94/25/801919425.db2.gz	XCCWMEHGBJZGEN-XKQJLSEDSA-N	1	0	357.458	1.290	20	30		FDEDRO
C=CC[C@@]1(C(=O)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)CCC[NH2+]1	ZINC000662685834	806958634	/nfs/dbraw/zinc/95/86/34/806958634.db2.gz	YUOWNWNCHDWEPO-PXNSSMCTSA-N	1	0	356.470	1.773	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)CCC[NH2+]1	ZINC000662719017	802894896	/nfs/dbraw/zinc/89/48/96/802894896.db2.gz	UYKWUAJUDPFFBN-OXJNMPFZSA-N	1	0	362.518	1.276	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)CCC[NH2+]1	ZINC000662719019	802895024	/nfs/dbraw/zinc/89/50/24/802895024.db2.gz	UYKWUAJUDPFFBN-UZLBHIALSA-N	1	0	362.518	1.276	20	30		FDEDRO
N#Cc1ccccc1/C=C/C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1	ZINC000893429063	802900510	/nfs/dbraw/zinc/90/05/10/802900510.db2.gz	JOULMTCHAWICCI-CMDGGOBGSA-N	1	0	366.465	1.904	20	30		FDEDRO
C=CC[C@]1(C(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)CCC[NH2+]1	ZINC000662808278	803389800	/nfs/dbraw/zinc/38/98/00/803389800.db2.gz	SOOWDLGTECNHRU-GOSISDBHSA-N	1	0	355.446	1.496	20	30		FDEDRO
C=CC[C@H]1CCC[N@@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)C1	ZINC000661381916	803416413	/nfs/dbraw/zinc/41/64/13/803416413.db2.gz	QBBBQWBXUUNHEC-AWEZNQCLSA-N	1	0	351.472	1.869	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1	ZINC000976541154	803518447	/nfs/dbraw/zinc/51/84/47/803518447.db2.gz	OKILXIHAXHKIGQ-APWQULEDSA-N	1	0	361.486	1.027	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]21	ZINC000976585748	803561800	/nfs/dbraw/zinc/56/18/00/803561800.db2.gz	IUZBGUBZLKUQFH-MNWMBMHPSA-N	1	0	363.502	1.127	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1	ZINC000423086426	814958459	/nfs/dbraw/zinc/95/84/59/814958459.db2.gz	MADFKYKWAKXZCG-MSOLQXFVSA-N	1	0	354.454	1.365	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1	ZINC000423129278	814968593	/nfs/dbraw/zinc/96/85/93/814968593.db2.gz	QYSBGAZCPGGUMW-QZTJIDSGSA-N	1	0	354.454	1.507	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C[N@H+]2CCC[C@H]2C)nc1	ZINC000977025625	804301104	/nfs/dbraw/zinc/30/11/04/804301104.db2.gz	HTOGXVFFZLXYBT-KBAYOESNSA-N	1	0	368.481	1.704	20	30		FDEDRO
CCC[C@@H]1C[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC#N)C1	ZINC001211670696	804483941	/nfs/dbraw/zinc/48/39/41/804483941.db2.gz	DDFOQBHOABSZFT-AKHDSKFASA-N	1	0	368.481	1.647	20	30		FDEDRO
COc1ccc(CN2C[C@@H]3CCN(C(=O)c4cnsn4)[C@@H]3C2)cc1C#N	ZINC001075570473	804816696	/nfs/dbraw/zinc/81/66/96/804816696.db2.gz	NOFLXOMXJDWZQW-XJKSGUPXSA-N	1	0	369.450	1.765	20	30		FDEDRO
C=CCOCCCNC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1	ZINC000661795286	804860817	/nfs/dbraw/zinc/86/08/17/804860817.db2.gz	ZXTOQCNTQZNVSO-UHFFFAOYSA-N	1	0	352.523	1.779	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]2CN(C)C(=O)[C@@H]2C[C@H]2C2CCC2)CC1	ZINC000977786653	804930390	/nfs/dbraw/zinc/93/03/90/804930390.db2.gz	HHQHBNNTWAXFTK-HSALFYBXSA-N	1	0	371.525	1.827	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)C[N@H+](C)C1CCC1	ZINC000977794305	804940713	/nfs/dbraw/zinc/94/07/13/804940713.db2.gz	GPSNURZYLLPCHF-KURKYZTESA-N	1	0	363.502	1.511	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]2CN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)nc1	ZINC000977803348	804965825	/nfs/dbraw/zinc/96/58/25/804965825.db2.gz	CHQOTFPYJKXEBM-JENIJYKNSA-N	1	0	368.481	1.466	20	30		FDEDRO
C=CCC1([NH2+]CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CCCC1	ZINC000661867768	805047280	/nfs/dbraw/zinc/04/72/80/805047280.db2.gz	XVZRVXRYAZCHAZ-UHFFFAOYSA-N	1	0	365.499	1.471	20	30		FDEDRO
C[N@H+](Cc1cccc(C#N)c1)[C@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC001027578941	805105214	/nfs/dbraw/zinc/10/52/14/805105214.db2.gz	YGOVSUDLJQZDPE-QYZOEREBSA-N	1	0	368.481	1.883	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(C(N)=O)cc2)C1	ZINC001027584734	805157909	/nfs/dbraw/zinc/15/79/09/805157909.db2.gz	RGPRVDCFBJMDLV-QRVBRYPASA-N	1	0	371.481	1.799	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)NCC(=O)NCC#N)c1cccc(C(F)(F)F)c1	ZINC000511920216	805382327	/nfs/dbraw/zinc/38/23/27/805382327.db2.gz	CGRWTEPCBVAUIR-CYBMUJFWSA-N	1	0	371.363	1.247	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCc3nc[nH]c31)C2	ZINC001112527582	805553850	/nfs/dbraw/zinc/55/38/50/805553850.db2.gz	MMYODJAMMQVBAV-FVJLSDCUSA-N	1	0	370.497	1.698	20	30		FDEDRO
C#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CCN(C)C2=O)C1	ZINC001087430534	807057532	/nfs/dbraw/zinc/05/75/32/807057532.db2.gz	UYSQZLUGQZGKRN-GUDVDZBRSA-N	1	0	353.466	1.462	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1	ZINC000423467551	815091502	/nfs/dbraw/zinc/09/15/02/815091502.db2.gz	XRDSMYHIWVQTHN-DLBZAZTESA-N	1	0	359.470	1.685	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCN(C)C(=O)C2)C1	ZINC001087431015	807144413	/nfs/dbraw/zinc/14/44/13/807144413.db2.gz	WGYNPAMEJMXHTG-XUVXKRRUSA-N	1	0	367.493	1.852	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N1CCC(C[NH3+])CC1	ZINC000423520713	815110581	/nfs/dbraw/zinc/11/05/81/815110581.db2.gz	FQMDUZCXNISQDC-MSOLQXFVSA-N	1	0	354.454	1.482	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC2CC2)C1	ZINC001112532559	807396915	/nfs/dbraw/zinc/39/69/15/807396915.db2.gz	IUWLFJOHBRCXAK-FORWCCJISA-N	1	0	361.486	1.074	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C(=O)NCC(F)(F)F)C[C@H]1c1ccccc1	ZINC001211698465	807794210	/nfs/dbraw/zinc/79/42/10/807794210.db2.gz	PGVRRHYYHMLLJR-LSDHHAIUSA-N	1	0	367.371	1.272	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)n1	ZINC000279011321	808070269	/nfs/dbraw/zinc/07/02/69/808070269.db2.gz	SYRMBGMPGYHPBL-QGZVFWFLSA-N	1	0	360.506	1.074	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3cccnc3)C2)CC1	ZINC000981544858	808116030	/nfs/dbraw/zinc/11/60/30/808116030.db2.gz	SBCGOSWBGNLNPJ-QFBILLFUSA-N	1	0	368.481	1.442	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN([C@@H]2CCOC2)CC1)C(C)C	ZINC000663668633	808406275	/nfs/dbraw/zinc/40/62/75/808406275.db2.gz	PWNMCUVSNBGQFO-RTBURBONSA-N	1	0	364.534	1.801	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](NC(=O)C3CC[NH+](C4CC4)CC3)C2=O)cc1	ZINC000279181082	808568403	/nfs/dbraw/zinc/56/84/03/808568403.db2.gz	FEUGILXVLMSRQA-LJQANCHMSA-N	1	0	366.465	1.650	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3cocc3C)C2)CC1	ZINC000981942303	808819329	/nfs/dbraw/zinc/81/93/29/808819329.db2.gz	SHHFLKPSXRBNIW-FUHWJXTLSA-N	1	0	371.481	1.948	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(C(C)=O)CCO2)C[C@H]1c1ccccc1	ZINC001211715519	809141509	/nfs/dbraw/zinc/14/15/09/809141509.db2.gz	ASAAIMJEWXYPHS-ZCNNSNEGSA-N	1	0	371.481	1.394	20	30		FDEDRO
CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCSCc1ccccc1C#N	ZINC000418914414	809309873	/nfs/dbraw/zinc/30/98/73/809309873.db2.gz	FLFFPUBHICTUNJ-KRWDZBQOSA-N	1	0	374.510	1.508	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C	ZINC000418940804	809331333	/nfs/dbraw/zinc/33/13/33/809331333.db2.gz	UKJCHAJRNHGNOR-QGZVFWFLSA-N	1	0	359.470	1.762	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CNC(=O)[C@H](C)CC)C[C@H]1c1ccccc1	ZINC001211724160	809341184	/nfs/dbraw/zinc/34/11/84/809341184.db2.gz	PVQAIYXGKIQETE-NZSAHSFTSA-N	1	0	355.482	1.756	20	30		FDEDRO
Cn1ccc(CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000429826023	809435248	/nfs/dbraw/zinc/43/52/48/809435248.db2.gz	JBLWDKSJYAOLJN-UHFFFAOYSA-N	1	0	351.454	1.959	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCCC2)N1CCN([C@@H](C)C(F)(F)F)CC1	ZINC000261675614	809445200	/nfs/dbraw/zinc/44/52/00/809445200.db2.gz	CEVPDTPGTKEZFA-LBPRGKRZSA-N	1	0	373.427	1.258	20	30		FDEDRO
C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cscc1C#N	ZINC000410614968	809505374	/nfs/dbraw/zinc/50/53/74/809505374.db2.gz	NBGCRHQBQCSKHD-KRWDZBQOSA-N	1	0	370.478	1.639	20	30		FDEDRO
COc1ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc1OCC(=O)NC1CC1	ZINC000424100215	815307599	/nfs/dbraw/zinc/30/75/99/815307599.db2.gz	NJBHQHQACPCRAW-CQSZACIVSA-N	1	0	360.414	1.312	20	30		FDEDRO
C=CCOCCCNC(=O)Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1	ZINC000664377524	815318348	/nfs/dbraw/zinc/31/83/48/815318348.db2.gz	CUFGYWLZIMTGCJ-QGZVFWFLSA-N	1	0	360.458	1.851	20	30		FDEDRO
CCOC(=O)Cn1cc(CN(CC)C[C@H](C)C#N)c(-c2cnn(C)c2)n1	ZINC000893994539	809847112	/nfs/dbraw/zinc/84/71/12/809847112.db2.gz	HUDYSBSNMOOIRK-CQSZACIVSA-N	1	0	358.446	1.828	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H](C)C(=O)NC)C1	ZINC001211736199	809925834	/nfs/dbraw/zinc/92/58/34/809925834.db2.gz	LYJBONRTMBQEHP-RYQLBKOJSA-N	1	0	359.470	1.298	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)NC(=O)C2CCC2)C[C@H]1c1ccccc1	ZINC001211738870	809934404	/nfs/dbraw/zinc/93/44/04/809934404.db2.gz	WPXHSHUBLWVDAC-FFZOFVMBSA-N	1	0	367.493	1.899	20	30		FDEDRO
C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000894099579	809961821	/nfs/dbraw/zinc/96/18/21/809961821.db2.gz	SSTCDTBFQCSSOW-JQHSSLGASA-N	1	0	367.453	1.399	20	30		FDEDRO
C=CCN(C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)[C@@H](C)COC	ZINC000663916864	810026710	/nfs/dbraw/zinc/02/67/10/810026710.db2.gz	QZOCDZAFAIXKEW-JKSUJKDBSA-N	1	0	354.495	1.162	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1	ZINC001087455501	810063943	/nfs/dbraw/zinc/06/39/43/810063943.db2.gz	YYZKCZQMNBIHGW-CGTJXYLNSA-N	1	0	359.445	1.764	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N(CCN2CCOCC2)CC2CC2)CC1	ZINC000664016228	810165455	/nfs/dbraw/zinc/16/54/55/810165455.db2.gz	MITYIXBOTMMVNN-UHFFFAOYSA-N	1	0	364.534	1.781	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCNC2=O)C1	ZINC001087457229	810182574	/nfs/dbraw/zinc/18/25/74/810182574.db2.gz	OXSBQVFBZFJNJU-FGTMMUONSA-N	1	0	357.429	1.259	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccc(C#N)cc1	ZINC000419289604	810329093	/nfs/dbraw/zinc/32/90/93/810329093.db2.gz	QRRKONAAZLEVDP-KDOFPFPSSA-N	1	0	354.454	1.726	20	30		FDEDRO
N#CCCn1cc(C[NH2+]CCCN2CCOCC2)c(-c2ccncc2)n1	ZINC000433314372	810413601	/nfs/dbraw/zinc/41/36/01/810413601.db2.gz	AGYXLCGERFOQLA-UHFFFAOYSA-N	1	0	354.458	1.671	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2COC)C[C@H]1C(F)(F)F	ZINC001112123479	810422589	/nfs/dbraw/zinc/42/25/89/810422589.db2.gz	LUCSZJWKHVYBOZ-CHWSQXEVSA-N	1	0	358.364	1.182	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1	ZINC001087459589	810504699	/nfs/dbraw/zinc/50/46/99/810504699.db2.gz	MMCHPTLCOOJTHE-FGTMMUONSA-N	1	0	357.429	1.402	20	30		FDEDRO
C[C@@H]1CC2(CN1C(=O)C(=O)N(C)Cc1ccc(C#N)cc1)CC[NH2+]CC2	ZINC000424495953	815376526	/nfs/dbraw/zinc/37/65/26/815376526.db2.gz	RPCNKUCDIISTGH-OAHLLOKOSA-N	1	0	354.454	1.507	20	30		FDEDRO
C=CCC1(NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CCCC1	ZINC000664143438	810687662	/nfs/dbraw/zinc/68/76/62/810687662.db2.gz	REDJORYPRRTRSV-QGZVFWFLSA-N	1	0	350.507	1.581	20	30		FDEDRO
CC[NH+]=C(NCCN1C(=O)CNC1=O)N1CC[C@@](C)(c2ccccc2)C1	ZINC000261764540	810762769	/nfs/dbraw/zinc/76/27/69/810762769.db2.gz	NIUCERZINBKSRZ-LJQANCHMSA-N	1	0	357.458	1.167	20	30		FDEDRO
C=CCCn1cc(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)nn1	ZINC000424598685	815395494	/nfs/dbraw/zinc/39/54/94/815395494.db2.gz	LSMGUBMXYPFOFE-UHFFFAOYSA-N	1	0	354.458	1.854	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCO)CC[C@@H]2c2ccc(F)cc2)[nH]1	ZINC001087463918	811203609	/nfs/dbraw/zinc/20/36/09/811203609.db2.gz	HIIQSUVZHAFXBU-SJLPKXTDSA-N	1	0	356.401	1.606	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2COC(=O)N2)C1	ZINC001087464545	811205670	/nfs/dbraw/zinc/20/56/70/811205670.db2.gz	OMOSSEIMEVDPAO-BRWVUGGUSA-N	1	0	359.401	1.232	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](Cc3ccc4ncccc4c3)C[C@@H]2O)c1	ZINC001083392424	811207213	/nfs/dbraw/zinc/20/72/13/811207213.db2.gz	HGSVDFBHHBUEJO-MOPGFXCFSA-N	1	0	361.405	1.410	20	30		FDEDRO
C#Cc1ccc(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)cn1	ZINC000729380351	811217340	/nfs/dbraw/zinc/21/73/40/811217340.db2.gz	TVMHDIXFWNWJSY-UHFFFAOYSA-N	1	0	364.453	1.185	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)N1CCN(c2ncccn2)CC1	ZINC000261605367	811284166	/nfs/dbraw/zinc/28/41/66/811284166.db2.gz	DFTZTFPXGFYOBJ-BRWVUGGUSA-N	1	0	370.501	1.522	20	30		FDEDRO
CCc1nn(C)c(CC)c1CNC(=[NH+]C)N1CCO[C@H](c2cnn(C)c2)C1	ZINC000261717127	811303589	/nfs/dbraw/zinc/30/35/89/811303589.db2.gz	HWZVBXNAOAEAEY-SFHVURJKSA-N	1	0	373.505	1.427	20	30		FDEDRO
CC[NH+]=C(NC[C@](C)(O)c1ccco1)N1CCO[C@@H](c2cnn(C)c2)C1	ZINC000261832615	811329794	/nfs/dbraw/zinc/32/97/94/811329794.db2.gz	VPVLINZIRCOXJJ-QAPCUYQASA-N	1	0	361.446	1.260	20	30		FDEDRO
Cc1[nH]c2ccccc2c1CCNC(=[NH2+])N1CCN(c2ncccn2)CC1	ZINC000262023053	811369767	/nfs/dbraw/zinc/36/97/67/811369767.db2.gz	YRCVRUTXFUIBGK-UHFFFAOYSA-N	1	0	363.469	1.946	20	30		FDEDRO
C[NH+]=C(NCCn1cc([N+](=O)[O-])cn1)N1CC[C@@H](C)[C@@H](n2ccnc2)C1	ZINC000262027173	811370400	/nfs/dbraw/zinc/37/04/00/811370400.db2.gz	ZZTLGUZMPLEUCA-HIFRSBDPSA-N	1	0	360.422	1.146	20	30		FDEDRO
COC[C@@H]1CCN(C(N[C@@H]2CCc3ccccc3C2)=[NH+]CC(=O)N(C)C)C1	ZINC000262246947	811422269	/nfs/dbraw/zinc/42/22/69/811422269.db2.gz	BBKQMRSRDCOIHS-VQIMIIECSA-N	1	0	372.513	1.546	20	30		FDEDRO
COC[C@H]1CCN(C(N[C@@H]2CCc3ccccc3C2)=[NH+]CC(=O)N(C)C)C1	ZINC000262246943	811422468	/nfs/dbraw/zinc/42/24/68/811422468.db2.gz	BBKQMRSRDCOIHS-QFBILLFUSA-N	1	0	372.513	1.546	20	30		FDEDRO
C=CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cn2ncnn2)C1	ZINC001087465123	811426320	/nfs/dbraw/zinc/42/63/20/811426320.db2.gz	WYGZMURUMMZWIJ-IAGOWNOFSA-N	1	0	358.421	1.363	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@@H]1CCN(c2ccccn2)C1)=[NH+]C1CCCCC1	ZINC000262355095	811449112	/nfs/dbraw/zinc/44/91/12/811449112.db2.gz	ZQUIFBWEDRIZRY-QGZVFWFLSA-N	1	0	372.517	1.616	20	30		FDEDRO
C[NH+]=C(NCC(=O)N1CCCc2ccccc21)NC[C@@H](O)c1ccc(C)o1	ZINC000262427453	811465065	/nfs/dbraw/zinc/46/50/65/811465065.db2.gz	RHVBWQHVVQEGFS-QGZVFWFLSA-N	1	0	370.453	1.766	20	30		FDEDRO
C[NH+]=C(NC[C@H](O)C1CCCCC1)N1CCN(C(=O)c2ccco2)CC1	ZINC000262569622	811496192	/nfs/dbraw/zinc/49/61/92/811496192.db2.gz	MODMVVBCRLFAPD-INIZCTEOSA-N	1	0	362.474	1.554	20	30		FDEDRO
[NH2+]=C(NCc1ncc(-c2ccccc2)cn1)N1CCN(c2ncccn2)CC1	ZINC000262680524	811532218	/nfs/dbraw/zinc/53/22/18/811532218.db2.gz	SLAMQTLLBYYSIT-UHFFFAOYSA-N	1	0	374.452	1.571	20	30		FDEDRO
N#CCC[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccccc1	ZINC000419467652	811977470	/nfs/dbraw/zinc/97/74/70/811977470.db2.gz	ABRGELVFLWPVJY-XSLAGTTESA-N	1	0	354.454	1.733	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC[NH2+]1	ZINC000419631154	812053144	/nfs/dbraw/zinc/05/31/44/812053144.db2.gz	DQNCKXXGPOKSBC-OAHLLOKOSA-N	1	0	362.433	1.662	20	30		FDEDRO
O=C(NCC#Cc1cccc(F)c1)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1	ZINC000419680406	812089184	/nfs/dbraw/zinc/08/91/84/812089184.db2.gz	RVJFRRNCBHCTJW-SFHVURJKSA-N	1	0	357.429	1.284	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1	ZINC000419932957	812304443	/nfs/dbraw/zinc/30/44/43/812304443.db2.gz	DZFVCCQHTSIGAW-OAHLLOKOSA-N	1	0	374.441	1.615	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]C3)CC2)cc1	ZINC000419980472	813386384	/nfs/dbraw/zinc/38/63/84/813386384.db2.gz	QYIAPSGRRAZSQY-QGZVFWFLSA-N	1	0	366.465	1.680	20	30		FDEDRO
C[C@H](C[NH3+])NC(=O)C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	ZINC000419994162	813390156	/nfs/dbraw/zinc/39/01/56/813390156.db2.gz	GCTRRNRZDCUDKY-CQSZACIVSA-N	1	0	368.412	1.690	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+]	ZINC000420011525	813394556	/nfs/dbraw/zinc/39/45/56/813394556.db2.gz	HALJXYATUFYBSN-QZTJIDSGSA-N	1	0	356.470	1.931	20	30		FDEDRO
C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(Cc1ccc(C#N)cc1)C1CC1	ZINC000420044795	813422443	/nfs/dbraw/zinc/42/24/43/813422443.db2.gz	UEQZVSQGYKTEFF-GUYCJALGSA-N	1	0	370.453	1.278	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1	ZINC000420101642	813456599	/nfs/dbraw/zinc/45/65/99/813456599.db2.gz	LZKUNHNWJRHHLN-FQEVSTJZSA-N	1	0	359.470	1.716	20	30		FDEDRO
CC[NH+]=C(NCC1(C2CC2)CC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1	ZINC000261813827	813463652	/nfs/dbraw/zinc/46/36/52/813463652.db2.gz	SXELECCBPXWCIN-SFHVURJKSA-N	1	0	361.490	1.452	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2	ZINC000420092028	813468961	/nfs/dbraw/zinc/46/89/61/813468961.db2.gz	NSUMSDBOEODJHT-UHFFFAOYSA-N	1	0	353.422	1.756	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1	ZINC000501598087	813545088	/nfs/dbraw/zinc/54/50/88/813545088.db2.gz	MIBSVAZSTRCJSQ-KURKYZTESA-N	1	0	363.502	1.465	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1	ZINC000501632738	813572341	/nfs/dbraw/zinc/57/23/41/813572341.db2.gz	BDMXDMSMFWUYCB-LJQANCHMSA-N	1	0	368.481	1.897	20	30		FDEDRO
N#Cc1ccc(C[NH2+]Cc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1F	ZINC000421339700	814113859	/nfs/dbraw/zinc/11/38/59/814113859.db2.gz	SAOJTFUYOFBHCQ-UHFFFAOYSA-N	1	0	366.396	1.559	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CSC(C)C)C2)C1=O	ZINC001111600931	814179531	/nfs/dbraw/zinc/17/95/31/814179531.db2.gz	DIZVSUJCYJKFFC-FCEWJHQRSA-N	1	0	365.543	1.886	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000271777824	814476585	/nfs/dbraw/zinc/47/65/85/814476585.db2.gz	GKXLQJMODVYPQK-FJOSAAFMSA-N	1	0	364.446	1.548	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)CC1	ZINC000271798959	814481143	/nfs/dbraw/zinc/48/11/43/814481143.db2.gz	OSMFAJXMFGZIDM-LJQANCHMSA-N	1	0	365.481	1.829	20	30		FDEDRO
Cc1ncc(CO)c(/C=N/Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1O	ZINC000272992645	814785356	/nfs/dbraw/zinc/78/53/56/814785356.db2.gz	SVYWHBOTKSHGFS-VMHWHBCQSA-N	1	0	355.438	1.774	20	30		FDEDRO
CC(C)(CC#N)CNC(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000422289924	814806267	/nfs/dbraw/zinc/80/62/67/814806267.db2.gz	BROYIEWWTJVCJD-KRWDZBQOSA-N	1	0	356.470	1.681	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1	ZINC000645272547	814815047	/nfs/dbraw/zinc/81/50/47/814815047.db2.gz	HUQQMSONULRAII-QGZVFWFLSA-N	1	0	365.518	1.874	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C	ZINC000422432116	814820092	/nfs/dbraw/zinc/82/00/92/814820092.db2.gz	WSPCMMYATLPBSY-KVSKMBFKSA-N	1	0	355.482	1.889	20	30		FDEDRO
C[C@H](CC[NH+](C)C)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O	ZINC000505503976	815756136	/nfs/dbraw/zinc/75/61/36/815756136.db2.gz	YLNYNXMWXSRMAO-CJNGLKHVSA-N	1	0	371.441	1.220	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(C(=O)NC)cc2)C1	ZINC001028809661	815783009	/nfs/dbraw/zinc/78/30/09/815783009.db2.gz	MUXNEHNZCGVZGC-UHOSZYNNSA-N	1	0	371.481	1.575	20	30		FDEDRO
Cc1cc(NCCCC[NH+]2CCN(c3ncccn3)CC2)c(C#N)cn1	ZINC000425232472	815828303	/nfs/dbraw/zinc/82/83/03/815828303.db2.gz	VOCMQJFQENYRHG-UHFFFAOYSA-N	1	0	351.458	1.488	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21	ZINC000425382195	816051464	/nfs/dbraw/zinc/05/14/64/816051464.db2.gz	HCAMGAOIWLSGIB-RBUKOAKNSA-N	1	0	366.465	1.625	20	30		FDEDRO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000425388005	816064472	/nfs/dbraw/zinc/06/44/72/816064472.db2.gz	RTJSEWNXBMEICW-MAUKXSAKSA-N	1	0	352.438	1.550	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN(Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2	ZINC000435685742	816137603	/nfs/dbraw/zinc/13/76/03/816137603.db2.gz	ZENOSRVDGKEXJX-QGZVFWFLSA-N	1	0	357.502	1.565	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2cnn(C)c2)C[C@H]1C(F)(F)F	ZINC001112136725	816456731	/nfs/dbraw/zinc/45/67/31/816456731.db2.gz	BZYKDRUUQNITAS-BPLDGKMQSA-N	1	0	356.392	1.916	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)NCCN1CC[NH+](CC)CC1	ZINC000505876378	816702360	/nfs/dbraw/zinc/70/23/60/816702360.db2.gz	DKCOYVGGEDZONS-UHFFFAOYSA-N	1	0	358.486	1.497	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCCS2(=O)=O)C[C@H]1C(F)(F)F	ZINC001112137976	816760883	/nfs/dbraw/zinc/76/08/83/816760883.db2.gz	NIZIYQQWODWZSN-YNEHKIRRSA-N	1	0	368.421	1.509	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C	ZINC000425797094	817051903	/nfs/dbraw/zinc/05/19/03/817051903.db2.gz	UDWWUZOWYGHJLG-WBAXXEDZSA-N	1	0	357.454	1.881	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000425854151	817229816	/nfs/dbraw/zinc/22/98/16/817229816.db2.gz	JUMVDKDFJLENJW-CMKODMSKSA-N	1	0	359.470	1.514	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO	ZINC000425860686	817236899	/nfs/dbraw/zinc/23/68/99/817236899.db2.gz	URHAUNUMWHFSAT-HAGHYFMRSA-N	1	0	373.497	1.760	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccccc1C[NH+]1CCCC1	ZINC000425861849	817238394	/nfs/dbraw/zinc/23/83/94/817238394.db2.gz	JLCUFQXCMQOODD-HKUYNNGSSA-N	1	0	371.481	1.606	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1	ZINC000425867599	817251571	/nfs/dbraw/zinc/25/15/71/817251571.db2.gz	HOBSXRTUYIBPIE-AUUYWEPGSA-N	1	0	374.510	1.631	20	30		FDEDRO
C=CCn1cc(CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1	ZINC000425874107	817265616	/nfs/dbraw/zinc/26/56/16/817265616.db2.gz	LDCWMUKOBMMVAD-SFHVURJKSA-N	1	0	354.458	1.880	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C	ZINC000437792064	817339272	/nfs/dbraw/zinc/33/92/72/817339272.db2.gz	JKFKJLQZMFPWSE-BBWFWOEESA-N	1	0	366.506	1.210	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1	ZINC000425906961	817359208	/nfs/dbraw/zinc/35/92/08/817359208.db2.gz	AODHPGBGXXGOBK-IDCNUPLLSA-N	1	0	361.486	1.169	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C	ZINC000517423818	817432685	/nfs/dbraw/zinc/43/26/85/817432685.db2.gz	BHKFDVSGUHDUNT-ZIAGYGMSSA-N	1	0	358.442	1.884	20	30		FDEDRO
Cc1nnc(CNC(N[C@@H]2CCN(C3CC3)C2)=[NH+]C2CCCCC2)n1C	ZINC000261950644	817537845	/nfs/dbraw/zinc/53/78/45/817537845.db2.gz	HFKQUQXBGUGQNW-MRXNPFEDSA-N	1	0	359.522	1.728	20	30		FDEDRO
COC(=O)[C@@H]1[C@H](C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1(F)F	ZINC000894430690	818046036	/nfs/dbraw/zinc/04/60/36/818046036.db2.gz	IVEAMNZZOUKDKO-ZNMIVQPWSA-N	1	0	363.364	1.698	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)Cn2cncn2)C1	ZINC001087471445	818080860	/nfs/dbraw/zinc/08/08/60/818080860.db2.gz	DZNHBWYGWAJXGZ-OALUTQOASA-N	1	0	369.469	1.837	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CCNC2=O)C1	ZINC001087475050	818297751	/nfs/dbraw/zinc/29/77/51/818297751.db2.gz	OBGBUANTVHMSID-OTWHNJEPSA-N	1	0	369.465	1.129	20	30		FDEDRO
COc1ccc([C@@H]2CCN(CC#N)C[C@@H]2NC(=O)C2CC[NH+](C)CC2)cc1	ZINC001087475444	818321193	/nfs/dbraw/zinc/32/11/93/818321193.db2.gz	JDYRJECIHKPNOG-PMACEKPBSA-N	1	0	370.497	1.835	20	30		FDEDRO
COC(=O)[C@@H]1[C@@H](CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1(F)F	ZINC000894764430	818425027	/nfs/dbraw/zinc/42/50/27/818425027.db2.gz	UHZBWQYDQBWJDX-CVEARBPZSA-N	1	0	351.397	1.976	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(C#N)cc3)C2)C1	ZINC000983691188	818559652	/nfs/dbraw/zinc/55/96/52/818559652.db2.gz	AYDBTMKZMYGGBQ-BNEJOLLZSA-N	1	0	354.454	1.457	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2c(C)nnn2CC)C1	ZINC000983699571	818609619	/nfs/dbraw/zinc/60/96/19/818609619.db2.gz	WIXQAEYXIDQUQF-KONPQCLYSA-N	1	0	361.490	1.572	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+][C@@H]1CCN(C(C)(C)C)C1=O	ZINC001167985867	818781781	/nfs/dbraw/zinc/78/17/81/818781781.db2.gz	QBZXKLNGQACOQI-BBWFWOEESA-N	1	0	365.518	1.853	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC000937415791	818891866	/nfs/dbraw/zinc/89/18/66/818891866.db2.gz	SMEUUZNPVVUXRR-XOKHGSTOSA-N	1	0	357.458	1.337	20	30		FDEDRO
C[NH+](C)Cc1ccccc1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1	ZINC000519721719	819019747	/nfs/dbraw/zinc/01/97/47/819019747.db2.gz	HHNVDFNZZSRROS-UHFFFAOYSA-N	1	0	372.450	1.537	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1	ZINC000520202935	819250379	/nfs/dbraw/zinc/25/03/79/819250379.db2.gz	VDPHRQNMXKFHPE-UHFFFAOYSA-N	1	0	371.485	1.785	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3cnn(C)c3C2)C[C@H]1C(F)(F)F	ZINC001112152315	819273558	/nfs/dbraw/zinc/27/35/58/819273558.db2.gz	QZBUPHFHEHNTAU-NWANDNLSSA-N	1	0	368.403	1.527	20	30		FDEDRO
C[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@H]1C[NH3+]	ZINC000520376417	819319149	/nfs/dbraw/zinc/31/91/49/819319149.db2.gz	ZCODQNMPJZQAGQ-OLMNPRSZSA-N	1	0	369.469	1.285	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](N2CCOCC2)C1	ZINC000520425464	819347581	/nfs/dbraw/zinc/34/75/81/819347581.db2.gz	WZUQLQPZSYVSGF-VQTJNVASSA-N	1	0	360.498	1.951	20	30		FDEDRO
COc1cc(CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)ccc1C#N	ZINC000894947688	819380943	/nfs/dbraw/zinc/38/09/43/819380943.db2.gz	GYAREEPWJQDYNT-IRXDYDNUSA-N	1	0	358.442	1.307	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1(C)C	ZINC000328718573	819530261	/nfs/dbraw/zinc/53/02/61/819530261.db2.gz	PXAOWFDDIBKGJK-UHFFFAOYSA-N	1	0	373.457	1.085	20	30		FDEDRO
CC(=O)N1CCC[C@@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1	ZINC000328677435	819532956	/nfs/dbraw/zinc/53/29/56/819532956.db2.gz	SCTMZYCJHRBUHC-ROUUACIJSA-N	1	0	366.506	1.203	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H]2CCC(=O)NC23CCC3)CC1	ZINC000328762709	819545748	/nfs/dbraw/zinc/54/57/48/819545748.db2.gz	ZLLIWMOOGFJAJU-HZPDHXFCSA-N	1	0	365.522	1.805	20	30		FDEDRO
CC(C)C[NH+]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)CC1	ZINC000328831260	819560720	/nfs/dbraw/zinc/56/07/20/819560720.db2.gz	UYEJLEQILAMNJI-GOSISDBHSA-N	1	0	358.486	1.975	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)N2C[C@H](C(=O)NC)[C@@H](c3cnn(C)c3)C2)CC1	ZINC000328959737	819599346	/nfs/dbraw/zinc/59/93/46/819599346.db2.gz	KEDHSVCVYITERQ-CVEARBPZSA-N	1	0	362.478	1.420	20	30		FDEDRO
CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)N[C@H]1CC[C@H](O)CC1	ZINC000328967995	819602230	/nfs/dbraw/zinc/60/22/30/819602230.db2.gz	AFGGJUKNUYRZAN-NBOOPKSLSA-N	1	0	363.506	1.952	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)C1	ZINC000328971951	819602923	/nfs/dbraw/zinc/60/29/23/819602923.db2.gz	BQTFQFOXOXSYTD-ZACQAIPSSA-N	1	0	365.522	1.959	20	30		FDEDRO
CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)C1	ZINC000330700852	819636852	/nfs/dbraw/zinc/63/68/52/819636852.db2.gz	GOVNVARKMKKMRC-IXDOHACOSA-N	1	0	368.522	1.182	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)CC1	ZINC000330880648	819647424	/nfs/dbraw/zinc/64/74/24/819647424.db2.gz	ZDRFERHDOYNFLJ-BZSNNMDCSA-N	1	0	364.534	1.408	20	30		FDEDRO
COc1cc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c(OC)c(C)c1OC	ZINC000331222116	819672041	/nfs/dbraw/zinc/67/20/41/819672041.db2.gz	CLJKGDTUTCVCHM-ZDUSSCGKSA-N	1	0	367.446	1.829	20	30		FDEDRO
CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	ZINC000331287231	819673820	/nfs/dbraw/zinc/67/38/20/819673820.db2.gz	YWSJFOOKXWUKFR-MRXNPFEDSA-N	1	0	367.538	1.259	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(C2CC[NH+](C(C)C)CC2)CC1	ZINC000331304439	819677521	/nfs/dbraw/zinc/67/75/21/819677521.db2.gz	QVQKHUBHXYWOOE-MRXNPFEDSA-N	1	0	365.522	1.082	20	30		FDEDRO
C=CCn1cc(-c2nc(-c3ccc(N4CCC[N@@H+](C)CC4)nc3)no2)nn1	ZINC000351345721	820005784	/nfs/dbraw/zinc/00/57/84/820005784.db2.gz	OBXSNMFNOWOUMU-UHFFFAOYSA-N	1	0	366.429	1.718	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccccc3O)[C@H]2CC)C1=O	ZINC001087506634	820021757	/nfs/dbraw/zinc/02/17/57/820021757.db2.gz	FOVDYFXZDUKOKY-GVDBMIGSSA-N	1	0	357.454	1.762	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C	ZINC000937482515	820062205	/nfs/dbraw/zinc/06/22/05/820062205.db2.gz	MEZHOAKTSUUYHQ-MHORFTMASA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4ccncc4C)[C@@H]3C2)C1=O	ZINC001075795323	820262769	/nfs/dbraw/zinc/26/27/69/820262769.db2.gz	MAIJROUCUFBVRG-GBESFXJTSA-N	1	0	368.481	1.252	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C(=O)NCC)c2)CC1	ZINC000520700596	820390577	/nfs/dbraw/zinc/39/05/77/820390577.db2.gz	XCGDIOGJJSMMKN-UHFFFAOYSA-N	1	0	372.469	1.532	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)Cc1ccco1	ZINC000984015284	820534707	/nfs/dbraw/zinc/53/47/07/820534707.db2.gz	LVIPOKBWGXKYPQ-AOIWGVFYSA-N	1	0	371.481	1.663	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087529216	820603270	/nfs/dbraw/zinc/60/32/70/820603270.db2.gz	VPZZWQJMTQPBHC-IPMKNSEASA-N	1	0	356.470	1.358	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCOC)C2)C1	ZINC001112162550	820731111	/nfs/dbraw/zinc/73/11/11/820731111.db2.gz	VIYGPEWLKWRHJB-ZIAGYGMSSA-N	1	0	364.408	1.985	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCc3cnn(CC)c3)C[C@H]21	ZINC001075807817	820906809	/nfs/dbraw/zinc/90/68/09/820906809.db2.gz	XQTZNAHEEYRFOF-NMLBUPMWSA-N	1	0	372.513	1.959	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1(C)C	ZINC000508336384	820932335	/nfs/dbraw/zinc/93/23/35/820932335.db2.gz	YEBQMZGBMBZDDQ-LJQANCHMSA-N	1	0	366.506	1.390	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc3c(cc2F)CCC(=O)N3)CC1	ZINC000442264198	821103577	/nfs/dbraw/zinc/10/35/77/821103577.db2.gz	JBQYKVYBQRRJAY-UHFFFAOYSA-N	1	0	374.416	1.416	20	30		FDEDRO
C[NH+](C)Cc1ccc(CN[C@H]2CCCN(O)C2=O)c2c1OC(F)(F)O2	ZINC000895157022	821164867	/nfs/dbraw/zinc/16/48/67/821164867.db2.gz	KXKRDMYKGBZJQI-LBPRGKRZSA-N	1	0	357.357	1.540	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2COCCN2C)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087547404	821286647	/nfs/dbraw/zinc/28/66/47/821286647.db2.gz	FXNLFCPUIQOXEB-IPMKNSEASA-N	1	0	356.470	1.358	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnnc(C)c3)[C@H]2CC)C1=O	ZINC001087555861	821439926	/nfs/dbraw/zinc/43/99/26/821439926.db2.gz	GSCDSGWMLVQHEL-GVDBMIGSSA-N	1	0	357.458	1.155	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)Cc3c[nH]cn3)[C@H]2CC)cc1	ZINC000985579538	828360639	/nfs/dbraw/zinc/36/06/39/828360639.db2.gz	BBIPTVIMYIZWBT-ZWKOTPCHSA-N	1	0	350.422	1.743	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3cnc(C)o3)[C@H]2CC)C1=O	ZINC001087601250	821688441	/nfs/dbraw/zinc/68/84/41/821688441.db2.gz	IIEUEKUVWJFHHX-BBWFWOEESA-N	1	0	360.458	1.282	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCN(C)C2=O)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087612655	821740601	/nfs/dbraw/zinc/74/06/01/821740601.db2.gz	AXWROBSNLWOPHB-GBESFXJTSA-N	1	0	368.481	1.896	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCNC(=O)C2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087621587	821775620	/nfs/dbraw/zinc/77/56/20/821775620.db2.gz	AZADWNCNUFTNQX-UEXGIBASSA-N	1	0	368.481	1.944	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCN(C)C2=O)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087692163	822067128	/nfs/dbraw/zinc/06/71/28/822067128.db2.gz	FZGYZQQMHVTXTQ-GBESFXJTSA-N	1	0	353.466	1.486	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C(C)(F)F)C[C@H]1C(F)(F)F	ZINC001112167012	822146640	/nfs/dbraw/zinc/14/66/40/822146640.db2.gz	CWVAJVNCJDEMHB-IJLUTSLNSA-N	1	0	356.335	1.906	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CCCN3CCCC3=O)[C@@H]2CC)c1	ZINC001087718996	822186515	/nfs/dbraw/zinc/18/65/15/822186515.db2.gz	UVDBDMXXDLOGOG-RBUKOAKNSA-N	1	0	368.481	1.658	20	30		FDEDRO
C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)[C@H]1CC	ZINC001087723205	822214202	/nfs/dbraw/zinc/21/42/02/822214202.db2.gz	HHPRFJVGBGRODQ-XWTMOSNGSA-N	1	0	363.502	1.702	20	30		FDEDRO
CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)[C@H]1CC	ZINC001087723703	822218192	/nfs/dbraw/zinc/21/81/92/822218192.db2.gz	ZVWYGRIPTVCIOT-XWTMOSNGSA-N	1	0	361.486	1.149	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3cccnc3C)[C@H]2CC)C1=O	ZINC001087724234	822221618	/nfs/dbraw/zinc/22/16/18/822221618.db2.gz	DHAKDGODLNXYGS-IPMKNSEASA-N	1	0	370.497	1.689	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CCC[C@H]3CCOC3)[C@@H]2CC)nn1	ZINC001087754259	822369127	/nfs/dbraw/zinc/36/91/27/822369127.db2.gz	WMFPGMFDIUFESL-XYJFISCASA-N	1	0	361.490	1.864	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](Cc2cnn(C)c2)[C@@H]1CC	ZINC001087801738	822461557	/nfs/dbraw/zinc/46/15/57/822461557.db2.gz	CZGKYSGCUUIJPB-ZWKOTPCHSA-N	1	0	367.453	1.610	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cn(C)nc3C)[C@@H]2CC)cn1	ZINC001087802574	822462560	/nfs/dbraw/zinc/46/25/60/822462560.db2.gz	YBMGTQBKQONCNH-RBUKOAKNSA-N	1	0	351.454	1.888	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N2)CC[N@@H+]1Cc1cc(C#N)ccc1OC	ZINC001087802821	822463022	/nfs/dbraw/zinc/46/30/22/822463022.db2.gz	MSONIQUVCIFZDT-YESZJQIVSA-N	1	0	370.453	1.315	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnn4cc[nH]c34)[C@H]2CC)C1=O	ZINC001087809673	822468142	/nfs/dbraw/zinc/46/81/42/822468142.db2.gz	FSHCCWDYUCGZHK-ARFHVFGLSA-N	1	0	370.457	1.032	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)n2C)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087842987	822570912	/nfs/dbraw/zinc/57/09/12/822570912.db2.gz	XDWAULKGXDYMCW-ZWKOTPCHSA-N	1	0	366.465	1.358	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)cc1C#N	ZINC000439363938	822578584	/nfs/dbraw/zinc/57/85/84/822578584.db2.gz	ZWBZXPQLZKFGBT-CQSZACIVSA-N	1	0	358.442	1.837	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087850862	822600497	/nfs/dbraw/zinc/60/04/97/822600497.db2.gz	YOLGJCMXTWKNJH-IXDOHACOSA-N	1	0	368.437	1.080	20	30		FDEDRO
C[NH+](C)CCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N	ZINC000895470452	822617698	/nfs/dbraw/zinc/61/76/98/822617698.db2.gz	ZNUINANODZTBQM-FVRSWCFKSA-N	1	0	350.463	1.451	20	30		FDEDRO
CNS(=O)(=O)c1ccc(N2CC[NH+](C[C@@H](C)CCC#N)CC2)cc1	ZINC000895561183	822651971	/nfs/dbraw/zinc/65/19/71/822651971.db2.gz	OXYYIGFPNKPTCB-HNNXBMFYSA-N	1	0	350.488	1.657	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cc[n+]([O-])cc4)C[C@@H]3C2)s1	ZINC001087874667	822672310	/nfs/dbraw/zinc/67/23/10/822672310.db2.gz	IKPLAUPSSTZFBZ-CVEARBPZSA-N	1	0	368.462	1.847	20	30		FDEDRO
C#CCC1(O)CC[NH+](Cc2ccccc2OCC(=O)NCC2CC2)CC1	ZINC000895674688	822691513	/nfs/dbraw/zinc/69/15/13/822691513.db2.gz	DBYLYZDIAVUDHI-UHFFFAOYSA-N	1	0	356.466	1.942	20	30		FDEDRO
C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCCN(CCN2CCOCC2)C1	ZINC000895686459	822698802	/nfs/dbraw/zinc/69/88/02/822698802.db2.gz	RVZOAGGMCGBOJD-RBUKOAKNSA-N	1	0	364.534	1.472	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4cccn4)C[C@@H]3C2)cc1F	ZINC001087885037	822715708	/nfs/dbraw/zinc/71/57/08/822715708.db2.gz	VABMQJVQGWSCOT-MSOLQXFVSA-N	1	0	367.428	1.874	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cccc(C)n4)C[C@@H]3C2)C1=O	ZINC001087888307	822725625	/nfs/dbraw/zinc/72/56/25/822725625.db2.gz	ZGNNGACTOBYTPV-ZIFCJYIRSA-N	1	0	368.481	1.571	20	30		FDEDRO
C#CC[NH+]1CCC(Nc2nc(C(=O)OCC)ncc2Br)CC1	ZINC000895812035	822756290	/nfs/dbraw/zinc/75/62/90/822756290.db2.gz	ZBPHOLDWWRSXQU-UHFFFAOYSA-N	1	0	367.247	1.347	20	30		FDEDRO
COc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C)OC)C[C@@H]3C2)cc1C#N	ZINC001087901190	822772312	/nfs/dbraw/zinc/77/23/12/822772312.db2.gz	ADLKGHJZNZBESB-KYJSFNMBSA-N	1	0	357.454	1.882	20	30		FDEDRO
CCn1nnc(C)c1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C1	ZINC001087925390	823937612	/nfs/dbraw/zinc/93/76/12/823937612.db2.gz	KBEQBKGTGDQCHT-CVEARBPZSA-N	1	0	367.457	1.400	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCOCCCOC)C[C@H]1C(F)(F)F	ZINC001112191089	828598752	/nfs/dbraw/zinc/59/87/52/828598752.db2.gz	HODXQZGPZYQOEK-ZIAGYGMSSA-N	1	0	352.397	1.985	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CC4OCCCO4)C[C@@H]3C2)cc1	ZINC001087944712	824049237	/nfs/dbraw/zinc/04/92/37/824049237.db2.gz	NEBGAWOHXWZGRL-MOPGFXCFSA-N	1	0	369.465	1.992	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CCn4ccnn4)C[C@@H]3C2)s1	ZINC001087948825	824083599	/nfs/dbraw/zinc/08/35/99/824083599.db2.gz	XJQNULGSDBFNQU-CABCVRRESA-N	1	0	370.482	1.582	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4cncnc4)C[C@@H]3C2)c1	ZINC001087949355	824086224	/nfs/dbraw/zinc/08/62/24/824086224.db2.gz	XJHVRUIUAQMNKA-UXHICEINSA-N	1	0	361.449	1.871	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1NC(=O)CSCC#N	ZINC001211886515	824161355	/nfs/dbraw/zinc/16/13/55/824161355.db2.gz	MAFPWAHYDVHFTP-HZPDHXFCSA-N	1	0	355.504	1.265	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H]2C[N@@H+](C[C@@H]3CCCS(=O)(=O)C3)CC[C@@H]2C1	ZINC001087961632	824182151	/nfs/dbraw/zinc/18/21/51/824182151.db2.gz	COWTYOXBXBUAFV-KSZLIROESA-N	1	0	364.511	1.005	20	30		FDEDRO
C[C@H](CCC#N)C[NH2+]CC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O	ZINC000896203062	824185881	/nfs/dbraw/zinc/18/58/81/824185881.db2.gz	QVIQRMKDVXTXCL-CABCVRRESA-N	1	0	373.519	1.940	20	30		FDEDRO
COc1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)c(C)n1	ZINC001087962540	824198685	/nfs/dbraw/zinc/19/86/85/824198685.db2.gz	VZMHLUWWYVEPCS-AEFFLSMTSA-N	1	0	354.454	1.487	20	30		FDEDRO
Cc1ccc(NC(=O)CC[NH+]2CCN(c3ccc(C#N)cn3)CC2)nc1	ZINC000446991772	828638321	/nfs/dbraw/zinc/63/83/21/828638321.db2.gz	ZTMXLMCWFMQKQL-UHFFFAOYSA-N	1	0	350.426	1.808	20	30		FDEDRO
COC(=O)[C@](C)(C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(F)cc1	ZINC000447032780	828644520	/nfs/dbraw/zinc/64/45/20/828644520.db2.gz	ATYKIDDRPFHUDE-FXAWDEMLSA-N	1	0	369.396	1.944	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)[C@H]2CC)nc1	ZINC000984696486	824503895	/nfs/dbraw/zinc/50/38/95/824503895.db2.gz	NTBNQJXKMJRYPM-JQHSSLGASA-N	1	0	354.454	1.266	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1	ZINC001112172738	824512967	/nfs/dbraw/zinc/51/29/67/824512967.db2.gz	UFEPBXDXIIVNOE-CHWSQXEVSA-N	1	0	352.397	1.577	20	30		FDEDRO
Cc1noc([C@@H]2CN(C(=O)NC[C@H](C)[N@@H+]3CCC[C@H](C)C3)CCN2C)n1	ZINC000329015032	824534398	/nfs/dbraw/zinc/53/43/98/824534398.db2.gz	FZLJTZLTZSXHSI-DZKIICNBSA-N	1	0	364.494	1.701	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2CCO[C@@H]2c2nccn2C)C1	ZINC000329064295	824552971	/nfs/dbraw/zinc/55/29/71/824552971.db2.gz	VRSBCTBTINQKHM-PMPSAXMXSA-N	1	0	365.478	1.111	20	30		FDEDRO
COC[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC(C)(C)O1	ZINC000329088533	824571893	/nfs/dbraw/zinc/57/18/93/824571893.db2.gz	VPBIQGUHYMIODK-GVDBMIGSSA-N	1	0	369.506	1.404	20	30		FDEDRO
CC(=O)N1CCC(CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1	ZINC000329129957	824614061	/nfs/dbraw/zinc/61/40/61/824614061.db2.gz	WOPGJONHGAIUPQ-UHFFFAOYSA-N	1	0	366.506	1.394	20	30		FDEDRO
C[C@@H]1C[N@H+](C)CCN1CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1	ZINC000329212559	824672969	/nfs/dbraw/zinc/67/29/69/824672969.db2.gz	HXKXSEJBZPLADW-MRXNPFEDSA-N	1	0	374.485	1.251	20	30		FDEDRO
Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)on1	ZINC000329229908	824679262	/nfs/dbraw/zinc/67/92/62/824679262.db2.gz	CYVWRUCBDDJXGI-WCVJEAGWSA-N	1	0	367.469	1.834	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O	ZINC000329263721	824702569	/nfs/dbraw/zinc/70/25/69/824702569.db2.gz	FJEUNVULORUKQD-OAGGEKHMSA-N	1	0	364.490	1.144	20	30		FDEDRO
O=C(NCCN1CCNC(=O)C1)N1CCC[N@H+](CC2CCCCC2)CC1	ZINC000329282607	824714656	/nfs/dbraw/zinc/71/46/56/824714656.db2.gz	FJWQEUBLBDNJBN-UHFFFAOYSA-N	1	0	365.522	1.761	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000329366456	824757021	/nfs/dbraw/zinc/75/70/21/824757021.db2.gz	KLKSLCKPPKKMFB-KRWDZBQOSA-N	1	0	372.473	1.100	20	30		FDEDRO
C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H]1CCO[C@H]1c1ccnn1C	ZINC000329388125	824766734	/nfs/dbraw/zinc/76/67/34/824766734.db2.gz	RFQJMPOPVKBOKG-KYHPRHEASA-N	1	0	361.490	1.970	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccnc(OC)n2)C1	ZINC001029847319	828683750	/nfs/dbraw/zinc/68/37/50/828683750.db2.gz	QVDISJAJLAUYMQ-UAGQMJEPSA-N	1	0	360.458	1.357	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)CC1	ZINC000329482468	824828524	/nfs/dbraw/zinc/82/85/24/824828524.db2.gz	PXJKWNWDZOARFU-FHWLQOOXSA-N	1	0	361.534	1.237	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)C[N@@H+]1CCC[C@@H]1C	ZINC000984784039	824903049	/nfs/dbraw/zinc/90/30/49/824903049.db2.gz	YKWDPLICWYRFCK-JLJPHGGASA-N	1	0	357.458	1.480	20	30		FDEDRO
CN(C)C(=O)CNC(=[NH+]C[C@@H]1CCCO1)N1CCC[C@@]2(CCCOC2)C1	ZINC000262303809	824982864	/nfs/dbraw/zinc/98/28/64/824982864.db2.gz	OEOPNVYSZOTIRW-QFBILLFUSA-N	1	0	366.506	1.092	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4c3NC(=O)CO4)C[C@@H]2C1	ZINC001087996205	824996442	/nfs/dbraw/zinc/99/64/42/824996442.db2.gz	BNYWLHVKKIVFDX-CABCVRRESA-N	1	0	353.422	1.435	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4c3NC(=O)CO4)C[C@@H]2C1	ZINC001087996553	824998202	/nfs/dbraw/zinc/99/82/02/824998202.db2.gz	YSFMSKYEDKYVDP-CABCVRRESA-N	1	0	355.438	1.988	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c(CC)nn(C)c3CC)C[C@@H]2C1	ZINC001087997010	825008707	/nfs/dbraw/zinc/00/87/07/825008707.db2.gz	GQOUHUBSTAPRKJ-SJORKVTESA-N	1	0	356.514	1.891	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(C4CCCC4)CCNC3=O)C[C@@H]2C1	ZINC001087999322	825052960	/nfs/dbraw/zinc/05/29/60/825052960.db2.gz	FYQRRNJOYAXUOD-LLGFUMIMSA-N	1	0	357.498	1.487	20	30		FDEDRO
C[N@H+](Cc1cccc(C#N)c1)C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1	ZINC000985648880	828728659	/nfs/dbraw/zinc/72/86/59/828728659.db2.gz	AKASDBRZVKJCFR-MSOLQXFVSA-N	1	0	368.481	1.883	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCC[NH2+]C(C)(C)C	ZINC000439561141	825064216	/nfs/dbraw/zinc/06/42/16/825064216.db2.gz	HAOGIESTVLSZME-UHFFFAOYSA-N	1	0	362.430	1.026	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+](C)C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1	ZINC000985651776	828750886	/nfs/dbraw/zinc/75/08/86/828750886.db2.gz	ZGQCLAWLFSXHRE-SJORKVTESA-N	1	0	370.453	1.111	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21	ZINC000525902607	828752171	/nfs/dbraw/zinc/75/21/71/828752171.db2.gz	YBNNIMCPLNXUOH-GOEBONIOSA-N	1	0	356.426	1.448	20	30		FDEDRO
O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CCC[C@]2(CNC(=O)C2)C1	ZINC000329686344	825302826	/nfs/dbraw/zinc/30/28/26/825302826.db2.gz	BJZCOAZLNMQYHH-BEFAXECRSA-N	1	0	364.490	1.844	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H]2CC)c1	ZINC000984903289	825342067	/nfs/dbraw/zinc/34/20/67/825342067.db2.gz	OOAJSOBSMNMOKB-ZWKOTPCHSA-N	1	0	354.454	1.268	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC(=O)NC4)C[C@@H]3C2)cc1	ZINC001088022350	825353757	/nfs/dbraw/zinc/35/37/57/825353757.db2.gz	GQMCUDJGDNCSRC-QRVBRYPASA-N	1	0	366.465	1.365	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cn[nH]n4)C[C@@H]3C2)c(F)c1	ZINC001088024773	825376201	/nfs/dbraw/zinc/37/62/01/825376201.db2.gz	YKSVULHBYZETAI-HIFRSBDPSA-N	1	0	354.389	1.410	20	30		FDEDRO
CN(C)C(=O)c1cccc(CC[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c1	ZINC000439612110	825404954	/nfs/dbraw/zinc/40/49/54/825404954.db2.gz	QOMCOGATPLQMPW-SFHVURJKSA-N	1	0	350.422	1.619	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(OCC(N)=O)cc3)C[C@@H]2C1	ZINC001088033466	825451027	/nfs/dbraw/zinc/45/10/27/825451027.db2.gz	LKGNIDPUOACPQI-SJORKVTESA-N	1	0	357.454	1.521	20	30		FDEDRO
COCC[C@@H]1COCCN1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000329803940	825466272	/nfs/dbraw/zinc/46/62/72/825466272.db2.gz	KAUSVBPTUHRICC-KZNAEPCWSA-N	1	0	369.506	1.406	20	30		FDEDRO
[NH2+]=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)N1CCN(c2ncccn2)CC1	ZINC000262341745	825498950	/nfs/dbraw/zinc/49/89/50/825498950.db2.gz	CPVHPACYYGTREX-MSOLQXFVSA-N	1	0	366.469	1.834	20	30		FDEDRO
C[C@@H]1C[NH+](CCC2CCN(C([O-])=[NH+]CCn3cncn3)CC2)C[C@@H](C)O1	ZINC000329872688	825517022	/nfs/dbraw/zinc/51/70/22/825517022.db2.gz	DHDYHEJNNRQCMT-HZPDHXFCSA-N	1	0	364.494	1.403	20	30		FDEDRO
Cn1cc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)c([C@@H]2CCOC2)n1	ZINC000329875835	825518563	/nfs/dbraw/zinc/51/85/63/825518563.db2.gz	HBQAZMUKQQUHMB-OAHLLOKOSA-N	1	0	362.474	1.874	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)c2cc3n(n2)CCCO3)CC1	ZINC000329906207	825536655	/nfs/dbraw/zinc/53/66/55/825536655.db2.gz	SACIMZKKLFQINT-UHFFFAOYSA-N	1	0	356.430	1.317	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3ncc4cc(C)cnc43)C[C@@H]2C1	ZINC001088043438	825548229	/nfs/dbraw/zinc/54/82/29/825548229.db2.gz	SJLBZKZOUSMEOT-AEFFLSMTSA-N	1	0	351.454	1.543	20	30		FDEDRO
Cc1c([C@@H]2[C@H](C(=O)N[C@H](C)C3=CC[N@H+](C)CC3)CC(=O)N2C)cnn1C	ZINC000329935883	825550850	/nfs/dbraw/zinc/55/08/50/825550850.db2.gz	CTJDOPRQURAAGQ-DWQUBVKVSA-N	1	0	359.474	1.855	20	30		FDEDRO
Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)NC2CC[NH+](C)CC2)on1	ZINC000329951587	825561223	/nfs/dbraw/zinc/56/12/23/825561223.db2.gz	MWBBHIHAJLMFDK-HOCLYGCPSA-N	1	0	367.469	1.835	20	30		FDEDRO
Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)NC1CC[NH+](C)CC1	ZINC000329970294	825571722	/nfs/dbraw/zinc/57/17/22/825571722.db2.gz	XVNBQOIBCFDRRB-HOCLYGCPSA-N	1	0	367.469	1.802	20	30		FDEDRO
C[C@@]1(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4C#N)CC[C@@H]3C2)CNC(=O)C1	ZINC001088050353	825598371	/nfs/dbraw/zinc/59/83/71/825598371.db2.gz	CKLNWQFXTYWUGQ-LQWHRVPQSA-N	1	0	366.465	1.365	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC000984943701	825610038	/nfs/dbraw/zinc/61/00/38/825610038.db2.gz	AFVMTMVOXMUVIB-WNRNVDISSA-N	1	0	371.485	1.726	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCCN3CC(F)F)C[C@@H]2C1	ZINC001088053285	825643073	/nfs/dbraw/zinc/64/30/73/825643073.db2.gz	BPSZSCPDBWRXTC-IKGGRYGDSA-N	1	0	371.472	1.699	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1C[C@H](C)O[C@@]2(CCCOC2)C1	ZINC000330133116	825664161	/nfs/dbraw/zinc/66/41/61/825664161.db2.gz	QWZFIIVTEVLUCJ-AOIWGVFYSA-N	1	0	368.522	1.196	20	30		FDEDRO
Cc1nnccc1NC(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1	ZINC000330142945	825672894	/nfs/dbraw/zinc/67/28/94/825672894.db2.gz	YNXVMTSMZFMCON-INIZCTEOSA-N	1	0	362.478	1.057	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCC2CCN(C(=O)N[C@@H]3CC(=O)N(C)C3)CC2)C[C@H](C)O1	ZINC000330148841	825678907	/nfs/dbraw/zinc/67/89/07/825678907.db2.gz	UVGPCJWEAHQVDE-HLLBOEOZSA-N	1	0	366.506	1.342	20	30		FDEDRO
Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CCC[NH+]1C	ZINC000330220904	825739378	/nfs/dbraw/zinc/73/93/78/825739378.db2.gz	QQMORCBDXLLOPW-HQRMLTQVSA-N	1	0	374.533	1.745	20	30		FDEDRO
O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)N1CC[C@@H](CCO)C1	ZINC000330266370	825780756	/nfs/dbraw/zinc/78/07/56/825780756.db2.gz	HPOLZMWIGVEMAI-RBUKOAKNSA-N	1	0	361.486	1.896	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1cn2c(n1)CCCC2	ZINC000330266271	825780967	/nfs/dbraw/zinc/78/09/67/825780967.db2.gz	PWQHGAUDJHOEDG-OAHLLOKOSA-N	1	0	361.490	1.819	20	30		FDEDRO
CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H](C#N)Cc1ccc(C#N)cc1	ZINC000280938242	825825718	/nfs/dbraw/zinc/82/57/18/825825718.db2.gz	PMHKTGJWZOYQPU-IBGZPJMESA-N	1	0	353.470	1.336	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCCNC1=O	ZINC001029508637	825889899	/nfs/dbraw/zinc/88/98/99/825889899.db2.gz	NBUOVUKIFHCVQQ-ADHGMGHFSA-N	1	0	361.486	1.312	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)CC(C)C[N@H+](C)[C@@H]2CCN(CC=C)C2=O)C1=O	ZINC000281239245	825920993	/nfs/dbraw/zinc/92/09/93/825920993.db2.gz	FZOYPSAZZLTHBB-QZTJIDSGSA-N	1	0	362.518	1.060	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nnn(C)c4C3)C[C@@H]2C1	ZINC001088082718	826178842	/nfs/dbraw/zinc/17/88/42/826178842.db2.gz	HJMQUXLUSUTIQT-ZACQAIPSSA-N	1	0	357.502	1.667	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CCN(CC(F)F)CC3)C[C@@H]2C1	ZINC001088082437	826189834	/nfs/dbraw/zinc/18/98/34/826189834.db2.gz	PDOFHTUGEGKEGY-SJORKVTESA-N	1	0	353.457	1.767	20	30		FDEDRO
CN(C)c1cccnc1CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1	ZINC000262388823	826259954	/nfs/dbraw/zinc/25/99/54/826259954.db2.gz	QRKXIRWGBGMCIF-UHFFFAOYSA-N	1	0	356.449	1.924	20	30		FDEDRO
N#CC1CCC(CNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1	ZINC000281831615	826263995	/nfs/dbraw/zinc/26/39/95/826263995.db2.gz	FFOKLOSMCUPYGB-UHFFFAOYSA-N	1	0	352.398	1.652	20	30		FDEDRO
C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1	ZINC000281864946	826286029	/nfs/dbraw/zinc/28/60/29/826286029.db2.gz	GWYPCARTLOMDBK-UHFFFAOYSA-N	1	0	370.331	1.606	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)Cc4ccccc43)C[C@@H]2C1	ZINC001088120494	826495014	/nfs/dbraw/zinc/49/50/14/826495014.db2.gz	HJIKGOGSVPIPRU-MSOLQXFVSA-N	1	0	351.450	1.379	20	30		FDEDRO
C#CCN(C(=O)NCCCONC(=O)OC(C)(C)C)C1CC[NH+](C)CC1	ZINC000896922354	826583529	/nfs/dbraw/zinc/58/35/29/826583529.db2.gz	YBSAEYZNEBYNRD-UHFFFAOYSA-N	1	0	368.478	1.572	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC000985153824	826617854	/nfs/dbraw/zinc/61/78/54/826617854.db2.gz	JBQZPMGCBQZAIG-DOTOQJQBSA-N	1	0	369.469	1.624	20	30		FDEDRO
Cn1ncc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cc(C#N)ccc4F)CC[C@@H]3C2)n1	ZINC001088139318	826640066	/nfs/dbraw/zinc/64/00/66/826640066.db2.gz	HIPNPJBTLNLCSZ-ZBFHGGJFSA-N	1	0	368.416	1.420	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2CC)nc1	ZINC000985212202	826920165	/nfs/dbraw/zinc/92/01/65/826920165.db2.gz	OWHNHEWKMOXFFT-FUHWJXTLSA-N	1	0	354.454	1.268	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4nccnc4C)CC[C@@H]3C2)nc1	ZINC001088174280	827219671	/nfs/dbraw/zinc/21/96/71/827219671.db2.gz	OSAUWBBQVBWTMM-MSOLQXFVSA-N	1	0	361.449	1.755	20	30		FDEDRO
Cn1cncc1CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)CC[C@@H]2C1	ZINC001088171048	827236310	/nfs/dbraw/zinc/23/63/10/827236310.db2.gz	VFXKPAWUQBFQLD-MOPGFXCFSA-N	1	0	363.465	1.815	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3nc(C4CC4)nn3C)C[C@@H]2C1	ZINC001088207567	827498714	/nfs/dbraw/zinc/49/87/14/827498714.db2.gz	PNXLBSDQVQQKIH-SJORKVTESA-N	1	0	357.502	1.982	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)c1ccc2c[nH+]cn2c1	ZINC000987547396	833226183	/nfs/dbraw/zinc/22/61/83/833226183.db2.gz	NNMQCRXRDJKYEE-WBMJQRKESA-N	1	0	362.393	1.567	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CO[C@H]2CC[N@@H+](CC#CC)C2)CC1	ZINC001088238492	827652722	/nfs/dbraw/zinc/65/27/22/827652722.db2.gz	VTORFIVMJNMEQA-ZCNNSNEGSA-N	1	0	360.498	1.930	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2CC)c1	ZINC000985433908	827823605	/nfs/dbraw/zinc/82/36/05/827823605.db2.gz	NFUVCKKSZAQDNN-RCCFBDPRSA-N	1	0	356.470	1.512	20	30		FDEDRO
CN1C[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)CC1=O	ZINC001075855681	827938801	/nfs/dbraw/zinc/93/88/01/827938801.db2.gz	OEZFNAFZRRBDHT-OKZBNKHCSA-N	1	0	352.438	1.069	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC2)C1=O	ZINC000985486285	827989671	/nfs/dbraw/zinc/98/96/71/827989671.db2.gz	ZAONHZGHOQKTEE-NUJGCVRESA-N	1	0	371.485	1.223	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(C#N)cc2)C1	ZINC001029759348	828011253	/nfs/dbraw/zinc/01/12/53/828011253.db2.gz	SAVJSFFOLJGGOT-SNRMKQJTSA-N	1	0	357.454	1.642	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)[C@H]2CC)nc1	ZINC000985493045	828016397	/nfs/dbraw/zinc/01/63/97/828016397.db2.gz	ITFUWLHYWLLRNS-HHXXYDBFSA-N	1	0	368.481	1.657	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1	ZINC000444753129	828188754	/nfs/dbraw/zinc/18/87/54/828188754.db2.gz	YDHYTMGKZPZMIZ-UFYCRDLUSA-N	1	0	371.481	1.596	20	30		FDEDRO
C[C@@H]1OCC[C@@]1(O)C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1	ZINC000447924715	828942348	/nfs/dbraw/zinc/94/23/48/828942348.db2.gz	HDXUPDBBJUHCTM-ZLGUVYLKSA-N	1	0	371.481	1.837	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([N@@H+](C)[C@H](CC)C(N)=O)CC1	ZINC000985692046	829005603	/nfs/dbraw/zinc/00/56/03/829005603.db2.gz	IIKMZJGUNKVARE-BBWFWOEESA-N	1	0	351.491	1.544	20	30		FDEDRO
Cc1[nH]c(C#N)cc1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000448608069	829190690	/nfs/dbraw/zinc/19/06/90/829190690.db2.gz	UKGDZJBMHZEOEW-UHFFFAOYSA-N	1	0	351.454	1.742	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N(C)c1ccccc1	ZINC001168100636	829192903	/nfs/dbraw/zinc/19/29/03/829192903.db2.gz	FJVWPAFIWPTUSQ-HKUYNNGSSA-N	1	0	359.470	1.727	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCCCCC1	ZINC001168100791	829202630	/nfs/dbraw/zinc/20/26/30/829202630.db2.gz	HPOMLUDNVUAUNX-WMZOPIPTSA-N	1	0	351.491	1.466	20	30		FDEDRO
Cc1[nH]c(C#N)cc1C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1	ZINC000448926685	829302202	/nfs/dbraw/zinc/30/22/02/829302202.db2.gz	VZULMPFCPVISQX-UHFFFAOYSA-N	1	0	353.426	1.416	20	30		FDEDRO
C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1	ZINC001088381671	829317777	/nfs/dbraw/zinc/31/77/77/829317777.db2.gz	JTKWDQAQUGWRQN-KSZLIROESA-N	1	0	361.486	1.150	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCc2cnn(C)c2)C1	ZINC001088385631	829381923	/nfs/dbraw/zinc/38/19/23/829381923.db2.gz	OSHUWHDBHSGNMT-OTWHNJEPSA-N	1	0	360.502	1.915	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCc2cnn(C)c2)C1	ZINC001088385632	829383155	/nfs/dbraw/zinc/38/31/55/829383155.db2.gz	OSHUWHDBHSGNMT-QRVBRYPASA-N	1	0	360.502	1.915	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[NH+]1CCC(Cn2ccnn2)CC1	ZINC000528423283	829403139	/nfs/dbraw/zinc/40/31/39/829403139.db2.gz	VHFUBXJGFPYXAC-UHFFFAOYSA-N	1	0	363.421	1.290	20	30		FDEDRO
CC(=O)NCC[C@H]1CCC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000528502059	829428667	/nfs/dbraw/zinc/42/86/67/829428667.db2.gz	JBWXFLSACCIUKZ-QGZVFWFLSA-N	1	0	367.449	1.524	20	30		FDEDRO
CC1(C)NC(=O)N(CCC[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)C1=O	ZINC000528780087	829559703	/nfs/dbraw/zinc/55/97/03/829559703.db2.gz	AUCZVDFKVYUSOX-UHFFFAOYSA-N	1	0	370.453	1.874	20	30		FDEDRO
C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)Cc3ccc(C#N)nc3)nc2)C1	ZINC000528873982	829597312	/nfs/dbraw/zinc/59/73/12/829597312.db2.gz	QAYYJUBOVLYSQD-QGZVFWFLSA-N	1	0	350.426	1.670	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@@H]3C2)nc1	ZINC000985824904	829767457	/nfs/dbraw/zinc/76/74/57/829767457.db2.gz	VCFOOQYSWZDMIJ-ZIFCJYIRSA-N	1	0	366.465	1.078	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3cccnc3C2)C[C@H]1C(F)(F)F	ZINC001112199598	829904543	/nfs/dbraw/zinc/90/45/43/829904543.db2.gz	ZHIPAFLZJSNECG-IIAWOOMASA-N	1	0	351.372	1.799	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNc2ncc(C#N)cc2[N+](=O)[O-])CC1	ZINC000450370770	829940342	/nfs/dbraw/zinc/94/03/42/829940342.db2.gz	BBZDKKMWPQNWDN-UHFFFAOYSA-N	1	0	374.445	1.900	20	30		FDEDRO
C[NH+](C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C1)C1CC1	ZINC000985894274	830011947	/nfs/dbraw/zinc/01/19/47/830011947.db2.gz	LQMGWBXHZOOXDS-SOLBZPMBSA-N	1	0	369.469	1.147	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C1	ZINC000985965033	830215728	/nfs/dbraw/zinc/21/57/28/830215728.db2.gz	NOPKLWLPUULJAJ-VKJFTORMSA-N	1	0	369.469	1.291	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]3C2)C1	ZINC000985977326	830229866	/nfs/dbraw/zinc/22/98/66/830229866.db2.gz	YZTFVKTYPBXWSV-OAGGEKHMSA-N	1	0	369.469	1.149	20	30		FDEDRO
Cn1c(C#N)ccc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000451178021	830285182	/nfs/dbraw/zinc/28/51/82/830285182.db2.gz	KHPHKFNOIMLHFF-SFHVURJKSA-N	1	0	352.438	1.918	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1	ZINC000451609762	830400452	/nfs/dbraw/zinc/40/04/52/830400452.db2.gz	WCHUYQOXIXLADL-MSOLQXFVSA-N	1	0	357.454	1.472	20	30		FDEDRO
CC#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2OCCO[C@H]2C)C1	ZINC001105427064	830403320	/nfs/dbraw/zinc/40/33/20/830403320.db2.gz	CBTJKJXCZZRJDR-MCNSAMFCSA-N	1	0	356.466	1.620	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1	ZINC001059688680	830456630	/nfs/dbraw/zinc/45/66/30/830456630.db2.gz	GSXDTJRXWIXEEJ-ZACQAIPSSA-N	1	0	351.491	1.274	20	30		FDEDRO
CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)CC1	ZINC000451992560	830487857	/nfs/dbraw/zinc/48/78/57/830487857.db2.gz	UDWMCNFHEBGFSM-UHFFFAOYSA-N	1	0	363.550	1.677	20	30		FDEDRO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CCCC[N@@H+]1CCO	ZINC000452392176	830643413	/nfs/dbraw/zinc/64/34/13/830643413.db2.gz	QTQBAKJDUMKVLM-IEBWSBKVSA-N	1	0	359.470	1.925	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1	ZINC000531791749	830873675	/nfs/dbraw/zinc/87/36/75/830873675.db2.gz	JSUUWNSHKPPMRT-HOTGVXAUSA-N	1	0	371.489	1.299	20	30		FDEDRO
C[C@@H]1C[NH+](CCCNC(=O)C(=O)Nc2cccc(CC#N)c2)C[C@@H](C)O1	ZINC000453595175	830951823	/nfs/dbraw/zinc/95/18/23/830951823.db2.gz	VJVMFDZECBVVMV-HUUCEWRRSA-N	1	0	358.442	1.307	20	30		FDEDRO
C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1	ZINC000453635571	830974892	/nfs/dbraw/zinc/97/48/92/830974892.db2.gz	LLYFWBZAKNLZJD-HNNXBMFYSA-N	1	0	358.442	1.837	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C(F)(F)F	ZINC001112204610	831228016	/nfs/dbraw/zinc/22/80/16/831228016.db2.gz	ADRCPMJMZZRIAZ-CHWSQXEVSA-N	1	0	364.412	1.770	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CN(C(=O)C#CC4CC4)CC[C@@H]3C2)CC[N@@H+]1C	ZINC000986192036	831265498	/nfs/dbraw/zinc/26/54/98/831265498.db2.gz	OUXNFAJQZUZGAX-YDZRNGNQSA-N	1	0	357.498	1.437	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1	ZINC000986247077	831359144	/nfs/dbraw/zinc/35/91/44/831359144.db2.gz	VUFSABQBGKOISP-MOPGFXCFSA-N	1	0	357.498	1.583	20	30		FDEDRO
CC[NH+]=C(NCCc1sc(C)nc1C)N1CCN(c2ncccn2)CC1	ZINC000262797610	831478925	/nfs/dbraw/zinc/47/89/25/831478925.db2.gz	PVMPQTAZOQYYNV-UHFFFAOYSA-N	1	0	373.530	1.880	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)CC[C@@H]3C2)C1	ZINC000986421272	831651835	/nfs/dbraw/zinc/65/18/35/831651835.db2.gz	GNVZEWKJWSQLRL-INMHGKMJSA-N	1	0	369.469	1.149	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[N@@H+](C)[C@H]2CCCNC2=O)CC1	ZINC001029966119	831944343	/nfs/dbraw/zinc/94/43/43/831944343.db2.gz	MBFRXOMMLAIVSV-SQNIBIBYSA-N	1	0	363.502	1.417	20	30		FDEDRO
N#Cc1ccc(NCC[NH2+]C2CC(S(=O)(=O)c3ccccc3)C2)nc1	ZINC000897397281	832068258	/nfs/dbraw/zinc/06/82/58/832068258.db2.gz	WMJFXJZVTFWOSI-UHFFFAOYSA-N	1	0	356.451	1.960	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC)C1	ZINC001112212283	832074558	/nfs/dbraw/zinc/07/45/58/832074558.db2.gz	XROGIBFNNXCBJM-GHMZBOCLSA-N	1	0	350.385	1.249	20	30		FDEDRO
CCCN1C[C@@H](CNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)CC1=O	ZINC000263086137	832311353	/nfs/dbraw/zinc/31/13/53/832311353.db2.gz	IJDKGKUMGNMZJB-OAHLLOKOSA-N	1	0	361.465	1.521	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CCC([C@@H](C)NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1	ZINC000986947373	832325812	/nfs/dbraw/zinc/32/58/12/832325812.db2.gz	SCJLXINUJRYCGS-BFYDXBDKSA-N	1	0	365.518	1.661	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1CC(=O)N(C)c1ccccc1	ZINC001088533186	832482611	/nfs/dbraw/zinc/48/26/11/832482611.db2.gz	DQYVPWSCJXJQMN-KDOFPFPSSA-N	1	0	365.437	1.742	20	30		FDEDRO
COc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cc3ccnn3C)[C@H]2C)cc1C#N	ZINC001088544947	832584066	/nfs/dbraw/zinc/58/40/66/832584066.db2.gz	GZVVMWBGILIDAM-KDOFPFPSSA-N	1	0	367.453	1.622	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000987955054	833842209	/nfs/dbraw/zinc/84/22/09/833842209.db2.gz	ZQXOAJLTLGWWDV-CJNGLKHVSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C)cc1	ZINC000988857909	837728537	/nfs/dbraw/zinc/72/85/37/837728537.db2.gz	XZFUMLROIRVFRJ-AYBZRNKSSA-N	1	0	371.481	1.922	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)Cn2ccnc2)C1	ZINC001059867027	834334773	/nfs/dbraw/zinc/33/47/73/834334773.db2.gz	IKQPAWVVOSWXSS-BBWFWOEESA-N	1	0	360.458	1.219	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1	ZINC000897466334	834739497	/nfs/dbraw/zinc/73/94/97/834739497.db2.gz	RNTAPFIZEBNQQL-UHFFFAOYSA-N	1	0	357.454	1.474	20	30		FDEDRO
[NH3+]C[C@H]1CCC[C@H]1NC(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000419117352	835434996	/nfs/dbraw/zinc/43/49/96/835434996.db2.gz	PXCVAGHIZKBKSP-UKRRQHHQSA-N	1	0	367.371	1.417	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)cc1	ZINC000454525152	835547184	/nfs/dbraw/zinc/54/71/84/835547184.db2.gz	BLOXLYKZSLLGOO-KRWDZBQOSA-N	1	0	360.458	1.571	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H](C)C(C)(F)F)[C@@H]2C)CC1	ZINC000988506122	835656877	/nfs/dbraw/zinc/65/68/77/835656877.db2.gz	JBHAVXPLVSCVOI-LZWOXQAQSA-N	1	0	369.456	1.729	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3CC)[C@H]2C)nc1	ZINC000988515840	835723190	/nfs/dbraw/zinc/72/31/90/835723190.db2.gz	XXNHTBFLBWYZRX-AYBZRNKSSA-N	1	0	368.481	1.657	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1	ZINC000988532033	835777430	/nfs/dbraw/zinc/77/74/30/835777430.db2.gz	HGKIKQKOPDWSHT-KURKYZTESA-N	1	0	363.502	1.226	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ccc(OC)cc2)C[C@H]1OC	ZINC001211992514	835974348	/nfs/dbraw/zinc/97/43/48/835974348.db2.gz	QJMLHAXHBQSIES-ATZDWAIDSA-N	1	0	362.470	1.992	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cn([C@@H]2CCOC2)nn1	ZINC000478706335	844137944	/nfs/dbraw/zinc/13/79/44/844137944.db2.gz	VAELOONAWJYAPJ-QGZVFWFLSA-N	1	0	368.441	1.315	20	30		FDEDRO
C[C@H](NC(=O)C[NH3+])c1nc(-c2ccc(Br)cc2C#N)no1	ZINC001212019609	836282696	/nfs/dbraw/zinc/28/26/96/836282696.db2.gz	TZYRBELUVIEFTD-ZETCQYMHSA-N	1	0	350.176	1.507	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(CC)on3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105669338	844208626	/nfs/dbraw/zinc/20/86/26/844208626.db2.gz	QWXPLHRRRYEAHD-SOAMZJECSA-N	1	0	359.470	1.840	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCn3ccnc3C2)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC000988725661	836871757	/nfs/dbraw/zinc/87/17/57/836871757.db2.gz	NSKNEIVPHKXIIJ-IOASZLSFSA-N	1	0	366.425	1.065	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCC(=O)NC2)CCN1CC#Cc1ccc(F)cc1	ZINC001088617133	836948241	/nfs/dbraw/zinc/94/82/41/836948241.db2.gz	ZQKOLQJAOVIUKF-AYBZRNKSSA-N	1	0	371.456	1.673	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)[C@@H]2C)cc1	ZINC001088788761	844226161	/nfs/dbraw/zinc/22/61/61/844226161.db2.gz	BLHYRTJFOFQQCF-PBHICJAKSA-N	1	0	353.422	1.010	20	30		FDEDRO
Cc1nn[nH]c1C(=O)N[C@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)[C@@H]1C	ZINC001088788195	844232280	/nfs/dbraw/zinc/23/22/80/844232280.db2.gz	XJWBNOLCCIHXSG-CJNGLKHVSA-N	1	0	354.414	1.408	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCCC(=O)N4)[C@@H]3C2)c1	ZINC001075922628	837206269	/nfs/dbraw/zinc/20/62/69/837206269.db2.gz	BTOIYBPQEVHQGZ-RCCFBDPRSA-N	1	0	352.438	1.260	20	30		FDEDRO
C=CCN(C(=O)[C@@H]1CC[C@H](C[NH3+])O1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000261807816	837308634	/nfs/dbraw/zinc/30/86/34/837308634.db2.gz	ONWBNYFZCRVYDV-XYPHTWIQSA-N	1	0	356.430	1.244	20	30		FDEDRO
Cc1cc(S(N)(=O)=O)ccc1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21	ZINC000262782098	837887730	/nfs/dbraw/zinc/88/77/30/837887730.db2.gz	LGTJBKFIIWLDQT-MRXNPFEDSA-N	1	0	374.466	1.571	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1C	ZINC000989049098	838210766	/nfs/dbraw/zinc/21/07/66/838210766.db2.gz	LVNFGNORLAAEIX-HLIPFELVSA-N	1	0	367.493	1.658	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@H](C)C(=O)NCC[NH+]2CCCCC2)cc1	ZINC000508692280	838359330	/nfs/dbraw/zinc/35/93/30/838359330.db2.gz	BAQGARZBKYSKLK-MRXNPFEDSA-N	1	0	359.470	1.972	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NCC1(C)CC[NH+](C)CC1	ZINC000272679624	838438159	/nfs/dbraw/zinc/43/81/59/838438159.db2.gz	LUWXOFZXVOBOER-UHFFFAOYSA-N	1	0	361.417	1.624	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(c3ncc(F)cn3)CC2)CC1	ZINC000273625677	838455530	/nfs/dbraw/zinc/45/55/30/838455530.db2.gz	FJBFCNWNSAVRMA-UHFFFAOYSA-N	1	0	362.453	1.488	20	30		FDEDRO
CNC(=O)[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000429770373	838526093	/nfs/dbraw/zinc/52/60/93/838526093.db2.gz	UHOHHDLQCUJVKP-JKSUJKDBSA-N	1	0	366.425	1.187	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C)cn1	ZINC000989165195	838551275	/nfs/dbraw/zinc/55/12/75/838551275.db2.gz	CANHQQZAXDRJQU-QAPCUYQASA-N	1	0	368.481	1.514	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCc2csc(C)n2)[C@@H]1C	ZINC001088631415	838603637	/nfs/dbraw/zinc/60/36/37/838603637.db2.gz	KHDVZDPRDHZBFH-JLSDUUJJSA-N	1	0	360.527	1.671	20	30		FDEDRO
N#CC1CCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CC1	ZINC000459887802	839067116	/nfs/dbraw/zinc/06/71/16/839067116.db2.gz	RNUYTVFAKPQPBP-UHFFFAOYSA-N	1	0	354.454	1.483	20	30		FDEDRO
CCN(C(=O)C(=O)N(C)C[C@@H](C)C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000459910920	839104757	/nfs/dbraw/zinc/10/47/57/839104757.db2.gz	WANRFRLRMHIAEG-WMZOPIPTSA-N	1	0	356.470	1.727	20	30		FDEDRO
CN(C(=O)C(=O)N1CCC(C#N)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000460003010	839219746	/nfs/dbraw/zinc/21/97/46/839219746.db2.gz	QJSFLOPKOWQBQP-IBGZPJMESA-N	1	0	368.481	1.872	20	30		FDEDRO
C#CC[C@H](NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1	ZINC000841865209	839520092	/nfs/dbraw/zinc/52/00/92/839520092.db2.gz	NDWWSYOFVOGMTK-JKSUJKDBSA-N	1	0	368.403	1.886	20	30		FDEDRO
C[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000282074427	839523636	/nfs/dbraw/zinc/52/36/36/839523636.db2.gz	CRWNKRWTGUYAAX-MAUKXSAKSA-N	1	0	369.469	1.443	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)CC3CC(F)(F)C3)[C@H]2C)C1=O	ZINC001088675072	839603125	/nfs/dbraw/zinc/60/31/25/839603125.db2.gz	BPVLPYGJCGUMQL-SNPRPXQTSA-N	1	0	355.429	1.788	20	30		FDEDRO
CN1CCN(c2cc[nH+]cc2NC(=O)Cc2cccc(OCC#N)c2)CC1	ZINC000760405741	839941131	/nfs/dbraw/zinc/94/11/31/839941131.db2.gz	LCNJBRPNKLUDKB-UHFFFAOYSA-N	1	0	365.437	1.917	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105593507	840259680	/nfs/dbraw/zinc/25/96/80/840259680.db2.gz	AQIJUEGRWFLLJP-XSYGEPLQSA-N	1	0	361.486	1.797	20	30		FDEDRO
COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1cnc2ccc(C#N)cn12	ZINC000897985432	840676389	/nfs/dbraw/zinc/67/63/89/840676389.db2.gz	MVSUQVYPROXEHZ-AWEZNQCLSA-N	1	0	350.382	1.814	20	30		FDEDRO
CCCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC#CCOC)C2)[C@H]1C(C)C	ZINC001105598692	840778603	/nfs/dbraw/zinc/77/86/03/840778603.db2.gz	VYCUWFKDCLTCBY-HNBVOPMISA-N	1	0	350.503	1.793	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105600093	840983845	/nfs/dbraw/zinc/98/38/45/840983845.db2.gz	ALOJBSZDRHUHPV-XSYGEPLQSA-N	1	0	356.470	1.388	20	30		FDEDRO
CCOC(=O)N1C[C@@H](CO)[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1	ZINC000898353405	840988113	/nfs/dbraw/zinc/98/81/13/840988113.db2.gz	GVZHTGXTUZGQLQ-QFBILLFUSA-N	1	0	372.469	1.566	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105603406	841170808	/nfs/dbraw/zinc/17/08/08/841170808.db2.gz	JMTLHSVTBMVSJI-IZBJGVDFSA-N	1	0	350.503	1.793	20	30		FDEDRO
Cc1nn(C)c(N2CCOCC2)c1C=[NH+]NCCC(=O)OC(C)(C)C	ZINC000783865658	841379069	/nfs/dbraw/zinc/37/90/69/841379069.db2.gz	FIIYRBMQCACALG-UHFFFAOYSA-N	1	0	351.451	1.220	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)C2=NN(CC(C)C)C(=O)CC2)c1C#N	ZINC000138496199	841390069	/nfs/dbraw/zinc/39/00/69/841390069.db2.gz	NOWOALMCMJZQAT-UHFFFAOYSA-N	1	0	359.434	1.006	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccncc3F)[C@H]2C(C)C)C[C@H]1O	ZINC001105610061	841562830	/nfs/dbraw/zinc/56/28/30/841562830.db2.gz	GVPFRKSQMMODKV-XSYGEPLQSA-N	1	0	359.445	1.824	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCOCC)C2)[C@H]1C(C)C	ZINC001105610447	841630431	/nfs/dbraw/zinc/63/04/31/841630431.db2.gz	KMFJFHVJUOBDJZ-HNBVOPMISA-N	1	0	368.518	1.582	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@H](C)c3ccco3)[C@H]2C)CC1	ZINC000989990622	841774364	/nfs/dbraw/zinc/77/43/64/841774364.db2.gz	YDWQBCSFSIXTJU-NUJGCVRESA-N	1	0	371.481	1.834	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncc(C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105611850	841918001	/nfs/dbraw/zinc/91/80/01/841918001.db2.gz	VTPYDFPHZMLYFL-BNDYYXHWSA-N	1	0	355.482	1.993	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC3CCC3)C2)[C@H]1C(C)C	ZINC001105612016	841937183	/nfs/dbraw/zinc/93/71/83/841937183.db2.gz	WTKHVKZLTTWRQO-HNBVOPMISA-N	1	0	350.503	1.955	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(F)nc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105615149	842229358	/nfs/dbraw/zinc/22/93/58/842229358.db2.gz	PPIIHCNUGUWRGS-CIWUYKSXSA-N	1	0	359.445	1.824	20	30		FDEDRO
CC(C)OCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C#CC3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105626645	842257519	/nfs/dbraw/zinc/25/75/19/842257519.db2.gz	FFRWLHNQIZNRSA-QCFAMHMHSA-N	1	0	362.514	1.791	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3nnc(C)[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105628844	842262001	/nfs/dbraw/zinc/26/20/01/842262001.db2.gz	YLKSFIUKVJSWLN-RGCFKVTRSA-N	1	0	361.490	1.198	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCOCC3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105631361	842263905	/nfs/dbraw/zinc/26/39/05/842263905.db2.gz	AHAOHBBXBPNMHD-QCFAMHMHSA-N	1	0	362.514	1.793	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cc(C)n[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105613992	842265535	/nfs/dbraw/zinc/26/55/35/842265535.db2.gz	DWAXMJPFWGJNJL-JYBIWHBTSA-N	1	0	358.486	1.250	20	30		FDEDRO
COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105614008	842265596	/nfs/dbraw/zinc/26/55/96/842265596.db2.gz	FBVQCZADGCVYQE-VXIBKDFQSA-N	1	0	360.458	1.112	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3[nH]c(=O)[nH]c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105637045	842270434	/nfs/dbraw/zinc/27/04/34/842270434.db2.gz	IOXSDKGKOLHFPA-ZLHSVIROSA-N	1	0	360.458	1.027	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3(COC)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105632952	842280499	/nfs/dbraw/zinc/28/04/99/842280499.db2.gz	PLBHKKSSACAZQF-CIWUYKSXSA-N	1	0	350.503	1.955	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(F)CCOCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105633053	842280953	/nfs/dbraw/zinc/28/09/53/842280953.db2.gz	POUCGEDPCGEVCN-MTNOOBJLSA-N	1	0	366.477	1.495	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3(COC)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105633352	842282295	/nfs/dbraw/zinc/28/22/95/842282295.db2.gz	SINBJDQPTJHWRY-ZJSJBZJDSA-N	1	0	362.514	1.793	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NCC)C2)[C@@H]1C(C)C	ZINC001105633755	842283185	/nfs/dbraw/zinc/28/31/85/842283185.db2.gz	WLHOVNDKDMUISM-YAJHFMINSA-N	1	0	365.518	1.445	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N1C[C@]2(C[C@@H](O)[C@H](NCC#N)C2)[C@@H]1C(C)C	ZINC001105642039	842301029	/nfs/dbraw/zinc/30/10/29/842301029.db2.gz	GVAXAMCMLAHXGU-JEWRLFTDSA-N	1	0	350.507	1.206	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccc(=O)[nH]c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105642679	842309185	/nfs/dbraw/zinc/30/91/85/842309185.db2.gz	LAIADOZIPJRQBH-DEPWHIHDSA-N	1	0	371.481	1.319	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnco3)[C@H]2C(C)C)C[C@H]1O	ZINC001105643156	842328739	/nfs/dbraw/zinc/32/87/39/842328739.db2.gz	UKAQQFQKWYEGLM-IIHSZXCVSA-N	1	0	363.458	1.457	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CCCO)C3)[C@@H]2C(C)C)cc1	ZINC001105645996	842402041	/nfs/dbraw/zinc/40/20/41/842402041.db2.gz	GHZNQUJGHUVWJR-XWSHUIEDSA-N	1	0	370.493	1.630	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3n[nH]nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105647564	842414588	/nfs/dbraw/zinc/41/45/88/842414588.db2.gz	RYQWUMARSBRFEO-RRIFGTCXSA-N	1	0	361.490	1.659	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cccnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105654789	842476356	/nfs/dbraw/zinc/47/63/56/842476356.db2.gz	BQUSJBOJVIRJKU-KRXUUXHPSA-N	1	0	369.509	1.922	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccn(C)c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105655301	842483289	/nfs/dbraw/zinc/48/32/89/842483289.db2.gz	HEYVLMUJPVUHBC-BNDYYXHWSA-N	1	0	357.498	1.937	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3cn[nH]n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105657151	842491644	/nfs/dbraw/zinc/49/16/44/842491644.db2.gz	XCKWCTZOWGRLPB-RWQQGDIJSA-N	1	0	361.490	1.280	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3nccc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105657237	842497313	/nfs/dbraw/zinc/49/73/13/842497313.db2.gz	XJDZZXCFCBJWNI-IZBJGVDFSA-N	1	0	360.502	1.734	20	30		FDEDRO
CC(=O)N1CCC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)C1	ZINC001088720913	842508927	/nfs/dbraw/zinc/50/89/27/842508927.db2.gz	ZPQJJQDQEHOVGA-XPGWFJOJSA-N	1	0	368.481	1.896	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCOCCO)C2)[C@H]1C(C)C	ZINC001105660821	842578995	/nfs/dbraw/zinc/57/89/95/842578995.db2.gz	YYBJXCQHVNWBAJ-HNBVOPMISA-N	1	0	368.518	1.318	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2c(C)cccc2C)C[C@@H]1O	ZINC001083470239	842582856	/nfs/dbraw/zinc/58/28/56/842582856.db2.gz	GWKXNZBZWUPLOW-LMCOJAPRSA-N	1	0	358.482	1.946	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCC(F)(F)CC2)C[C@@H]1O	ZINC001083470853	842651301	/nfs/dbraw/zinc/65/13/01/842651301.db2.gz	RASZOOIHXYJJCK-NCOADZHNSA-N	1	0	372.456	1.954	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(C)CCOCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105662428	842760353	/nfs/dbraw/zinc/76/03/53/842760353.db2.gz	OQWHVLBBMPZVQF-WIRSXHRWSA-N	1	0	362.514	1.793	20	30		FDEDRO
C[NH+](C)Cc1ccc(N2CCN(C(=O)N[C@H]3CCC[C@H]3C#N)CC2)nc1	ZINC000461965459	843260095	/nfs/dbraw/zinc/26/00/95/843260095.db2.gz	NGECRSUSLOODSV-IRXDYDNUSA-N	1	0	356.474	1.667	20	30		FDEDRO
C[N@H+](CCO)C1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1	ZINC000462071481	843309451	/nfs/dbraw/zinc/30/94/51/843309451.db2.gz	LXLXRTCORLYWAQ-UHFFFAOYSA-N	1	0	369.429	1.059	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3F)C[C@@H]2O)CC[N@@H+]1C	ZINC001083474567	843443157	/nfs/dbraw/zinc/44/31/57/843443157.db2.gz	OEWUIVVLOOPAEW-AITUJVMLSA-N	1	0	374.460	1.089	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CNC(=O)C(C)(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667891	843710822	/nfs/dbraw/zinc/71/08/22/843710822.db2.gz	GDKWOHHYRGEXIL-YVTWGWGSSA-N	1	0	365.518	1.301	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3[nH]cnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105667937	843724926	/nfs/dbraw/zinc/72/49/26/843724926.db2.gz	GRAYKLSKIMOFMG-IZBJGVDFSA-N	1	0	358.486	1.250	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cncn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105668084	843753622	/nfs/dbraw/zinc/75/36/22/843753622.db2.gz	WCTNFHPLIXRZTG-JYBIWHBTSA-N	1	0	360.502	1.505	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)NC1CC[NH+](C2CCOCC2)CC1	ZINC000898625549	844949068	/nfs/dbraw/zinc/94/90/68/844949068.db2.gz	HRODBYCOWNHSCU-UHFFFAOYSA-N	1	0	373.453	1.705	20	30		FDEDRO
C[NH+]1CC(C(=O)Nc2ncc(Br)nc2C#C[Si](C)(C)C)C1	ZINC001142591680	845186404	/nfs/dbraw/zinc/18/64/04/845186404.db2.gz	ACWRHVFBKPMCIB-UHFFFAOYSA-N	1	0	367.323	1.968	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCF)C2)[C@@H]1C(C)C	ZINC001105674733	845528216	/nfs/dbraw/zinc/52/82/16/845528216.db2.gz	JHMJLNYJLOXMSJ-ZAWLATJESA-N	1	0	356.482	1.905	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](C[C@H](OC)c2ccccc2)C[C@@H]1O	ZINC001083526477	846414882	/nfs/dbraw/zinc/41/48/82/846414882.db2.gz	UJMNGNBNXZOJMI-HOJAQTOUSA-N	1	0	369.465	1.837	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1	ZINC000481612640	846710216	/nfs/dbraw/zinc/71/02/16/846710216.db2.gz	SQTSHHJETFPOHB-AWEZNQCLSA-N	1	0	363.433	1.595	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2c(C)cc(C)cc2C)C[C@@H]1O	ZINC001083535329	846902312	/nfs/dbraw/zinc/90/23/12/846902312.db2.gz	LKMSPLAWDWOYFG-HKBOAZHASA-N	1	0	369.509	1.371	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCN(Cc2cc(OC)ccc2OC)CC1	ZINC000899956461	846942668	/nfs/dbraw/zinc/94/26/68/846942668.db2.gz	ZMCNEZXSAKCCRA-UHFFFAOYSA-N	1	0	361.486	1.856	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1	ZINC000899975889	846972178	/nfs/dbraw/zinc/97/21/78/846972178.db2.gz	UGYUZVJYHBOGKH-UHFFFAOYSA-N	1	0	372.513	1.894	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cncc(CC)c4)[C@@H]3C2)C1=O	ZINC001076045470	847143587	/nfs/dbraw/zinc/14/35/87/847143587.db2.gz	AOMIWEDJPIUFAK-YTQUADARSA-N	1	0	368.481	1.577	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCN(CC=C)C4=O)C[C@H]32)cc1	ZINC001076119888	847316113	/nfs/dbraw/zinc/31/61/13/847316113.db2.gz	XKPCWRLDWXWJLQ-XUVXKRRUSA-N	1	0	363.461	1.601	20	30		FDEDRO
Cc1cc(C#N)nc(NC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001060100792	847342143	/nfs/dbraw/zinc/34/21/43/847342143.db2.gz	HEWOTILMZKAVHM-HLLBOEOZSA-N	1	0	356.474	1.647	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C(C)C)n[nH]4)[C@@H]3C2)C1=O	ZINC001076271962	847745202	/nfs/dbraw/zinc/74/52/02/847745202.db2.gz	IIJDVMWJVCEOHG-JCGIZDLHSA-N	1	0	371.485	1.466	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCc4ccccc4C3)C[C@H]2O)c[nH]1	ZINC001076907291	849302191	/nfs/dbraw/zinc/30/21/91/849302191.db2.gz	JFKDEBLSUXAMKK-VHKYSDTDSA-N	1	0	364.449	1.466	20	30		FDEDRO
COc1ccc(C#N)cc1CN1C[C@@H](O)[C@H](NC(=O)Cc2ccoc2)C1	ZINC001076919357	849318546	/nfs/dbraw/zinc/31/85/46/849318546.db2.gz	JAMCQZITOBHMBR-IAGOWNOFSA-N	1	0	355.394	1.064	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C1([NH+](C)C)CCC1	ZINC001076952508	849402367	/nfs/dbraw/zinc/40/23/67/849402367.db2.gz	YLIFAOVQCCFFJK-XHSDSOJGSA-N	1	0	351.491	1.463	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CCCCCC2)C[C@H]1O	ZINC001077158976	849954498	/nfs/dbraw/zinc/95/44/98/849954498.db2.gz	HTBATFKTAMULOV-HSALFYBXSA-N	1	0	361.530	1.606	20	30		FDEDRO
N#Cc1cccc(CN2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)c1	ZINC001077311221	850509380	/nfs/dbraw/zinc/50/93/80/850509380.db2.gz	YCXGUVCRBADTTQ-RTBURBONSA-N	1	0	361.405	1.181	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C1	ZINC001077335472	850615366	/nfs/dbraw/zinc/61/53/66/850615366.db2.gz	RZIHFOAEQHMEIO-INMHGKMJSA-N	1	0	350.846	1.771	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)C1	ZINC001077409713	850841531	/nfs/dbraw/zinc/84/15/31/850841531.db2.gz	HOOOOYAVLALORK-WTGUMLROSA-N	1	0	358.482	1.904	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[NH2+]C[C@H]2COC)cc1	ZINC000904312173	851094980	/nfs/dbraw/zinc/09/49/80/851094980.db2.gz	NSFABRBNKQWTDU-SFHVURJKSA-N	1	0	372.469	1.953	20	30		FDEDRO
COC[C@H]1C[NH2+]CCN1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1	ZINC000904416925	851207342	/nfs/dbraw/zinc/20/73/42/851207342.db2.gz	UIAXSALKODXXQN-CYBMUJFWSA-N	1	0	374.832	1.849	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCCN2c2ccc(C#N)nn2)CC[N@@H+]1C	ZINC001060185138	851511065	/nfs/dbraw/zinc/51/10/65/851511065.db2.gz	SJFNRIGBNPGHFO-YESZJQIVSA-N	1	0	356.474	1.554	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1	ZINC000904985671	851585704	/nfs/dbraw/zinc/58/57/04/851585704.db2.gz	DKGXRCCIGSMGAU-HNNXBMFYSA-N	1	0	360.483	1.426	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H]([NH2+]C[C@@H](O)CC3(O)CCCCC3)C2=O)cc1	ZINC000905230910	851738880	/nfs/dbraw/zinc/73/88/80/851738880.db2.gz	OQXZVZVIVDJXDD-OALUTQOASA-N	1	0	371.481	1.695	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)CC1(O)CCC(C(=O)OCC)CC1	ZINC000905245935	851770234	/nfs/dbraw/zinc/77/02/34/851770234.db2.gz	ZCUXAFDBDLQVTD-VVJOJPPRSA-N	1	0	369.502	1.793	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@@H](O)CC1(O)CCC(C(=O)OCC)CC1	ZINC000905245933	851770423	/nfs/dbraw/zinc/77/04/23/851770423.db2.gz	ZCUXAFDBDLQVTD-QGRXYFRJSA-N	1	0	369.502	1.793	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1	ZINC000905290370	851822626	/nfs/dbraw/zinc/82/26/26/851822626.db2.gz	LQFAVRGZHBJCQF-KKUMJFAQSA-N	1	0	360.520	1.169	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@@H]1CCOc2ccc(Br)cc21	ZINC000913523513	862289219	/nfs/dbraw/zinc/28/92/19/862289219.db2.gz	CMIGSPZLECOZIU-CYBMUJFWSA-N	1	0	351.244	1.996	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O	ZINC000913515538	862296326	/nfs/dbraw/zinc/29/63/26/862296326.db2.gz	BGDGRIUFYHILBE-AWEZNQCLSA-N	1	0	351.859	1.824	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)CNc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000905438447	851942239	/nfs/dbraw/zinc/94/22/39/851942239.db2.gz	KIEMWUWVUAKCMK-PMACEKPBSA-N	1	0	357.502	1.589	20	30		FDEDRO
C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]CCS(=O)(=O)c3cccc(C#N)c3)O2)CO1	ZINC000905487493	851987910	/nfs/dbraw/zinc/98/79/10/851987910.db2.gz	SXFIZLDNJMJUMT-UWWQBHOKSA-N	1	0	364.467	1.648	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCN2C2CCOCC2)cc1	ZINC000905619951	852092363	/nfs/dbraw/zinc/09/23/63/852092363.db2.gz	PDQZNCRVAKAOJL-KRWDZBQOSA-N	1	0	363.483	1.175	20	30		FDEDRO
C=CC[C@@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C(=O)OC	ZINC000905759085	852249548	/nfs/dbraw/zinc/24/95/48/852249548.db2.gz	ILTHAEZZQLRABS-ZWKOTPCHSA-N	1	0	359.470	1.591	20	30		FDEDRO
COCC[NH2+]Cc1ccn(Cc2cn(CC3CCC(C#N)CC3)nn2)n1	ZINC000905816914	852308282	/nfs/dbraw/zinc/30/82/82/852308282.db2.gz	XADBIOWGHVLUBQ-UHFFFAOYSA-N	1	0	357.462	1.589	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([NH2+][C@H]3CCCN4CCSC[C@H]34)C2=O)cc1	ZINC000905852057	852353160	/nfs/dbraw/zinc/35/31/60/852353160.db2.gz	BXOLKQPFQJLTLF-OKZBNKHCSA-N	1	0	356.495	1.833	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCCC[NH+]1CCOCC1	ZINC000668512382	852510535	/nfs/dbraw/zinc/51/05/35/852510535.db2.gz	QFIINPHERKIXFW-IAGOWNOFSA-N	1	0	351.491	1.466	20	30		FDEDRO
CN1CC[N@H+](C)CC(C(=O)N[C@@H](C#N)c2ccccc2Br)C1	ZINC000906688181	853167100	/nfs/dbraw/zinc/16/71/00/853167100.db2.gz	UPPADGWJFXNMQQ-HNNXBMFYSA-N	1	0	365.275	1.623	20	30		FDEDRO
C=C(C)COc1cccc(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2CCOC)c1	ZINC000906747690	853255475	/nfs/dbraw/zinc/25/54/75/853255475.db2.gz	LDXYUDKXFWDBGT-INIZCTEOSA-N	1	0	361.442	1.417	20	30		FDEDRO
C#Cc1cccc(NC(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c1	ZINC000156446717	862482761	/nfs/dbraw/zinc/48/27/61/862482761.db2.gz	BDUFDLGOMGJDCU-UHFFFAOYSA-N	1	0	354.414	1.186	20	30		FDEDRO
C=CCC[C@H](C)[NH+]1CC(OC2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1	ZINC001105713504	862521150	/nfs/dbraw/zinc/52/11/50/862521150.db2.gz	HPVNMGKOWPEMHC-BXWFABGCSA-N	1	0	366.502	1.837	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C(F)(F)c1ccccc1C#N	ZINC000907451666	854235009	/nfs/dbraw/zinc/23/50/09/854235009.db2.gz	FPCGBEMMWSSDMV-CQSZACIVSA-N	1	0	350.413	1.792	20	30		FDEDRO
N#C[C@]1(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC2CCC1CC2	ZINC000908377164	855361859	/nfs/dbraw/zinc/36/18/59/855361859.db2.gz	GCGGRXQGSZRFCX-LBXVMSDZSA-N	1	0	360.502	1.815	20	30		FDEDRO
C=CCn1c(C2CCOCC2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000908671890	855689654	/nfs/dbraw/zinc/68/96/54/855689654.db2.gz	HAZFNAHXNXUULH-INIZCTEOSA-N	1	0	361.490	1.517	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@H]1CCC[N@H+]1CCOC	ZINC000668788399	856573816	/nfs/dbraw/zinc/57/38/16/856573816.db2.gz	ZHJUKGRECXMXAX-BRWVUGGUSA-N	1	0	351.491	1.465	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)nc1	ZINC000487826598	856753483	/nfs/dbraw/zinc/75/34/83/856753483.db2.gz	VBWMDIZYOJUUPP-GVDBMIGSSA-N	1	0	355.442	1.743	20	30		FDEDRO
C#CCCCc1nnc(N(C)[C@H]2CC[N@@H+](C3CC3)C2)n1C[C@H]1CCOC1	ZINC000910141558	856900107	/nfs/dbraw/zinc/90/01/07/856900107.db2.gz	HCEGJJWLDDNZCX-AEFFLSMTSA-N	1	0	357.502	1.943	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](CC[NH+](C)C)OCC)cc2C1=O	ZINC000488145750	857199558	/nfs/dbraw/zinc/19/95/58/857199558.db2.gz	HUAAXVCLNKXCLE-OAHLLOKOSA-N	1	0	373.453	1.555	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](OC)C2CCCCC2)CC1	ZINC000668835773	857513488	/nfs/dbraw/zinc/51/34/88/857513488.db2.gz	JIPQUGWGKROLEY-GOSISDBHSA-N	1	0	365.518	1.855	20	30		FDEDRO
C[C@@H]1C[C@H](C)CN(C(=O)C(=O)N(c2ccc(C#N)cn2)[C@H]2CCC[NH2+]C2)C1	ZINC000910858412	857787966	/nfs/dbraw/zinc/78/79/66/857787966.db2.gz	NPVCTKLIQOJQAV-UXLLHSPISA-N	1	0	369.469	1.543	20	30		FDEDRO
N#Cc1ccc(N(C(=O)C(=O)NCCCCC2CC2)[C@H]2CCC[NH2+]C2)nc1	ZINC000910858948	857788986	/nfs/dbraw/zinc/78/89/86/857788986.db2.gz	WJJCVDHIKDFNKX-KRWDZBQOSA-N	1	0	369.469	1.735	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1	ZINC000910907651	857827730	/nfs/dbraw/zinc/82/77/30/857827730.db2.gz	XWIQDZIIYNFNJT-HNNXBMFYSA-N	1	0	360.483	1.711	20	30		FDEDRO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[NH2+]C[C@H]1CCOC	ZINC000911050014	858043588	/nfs/dbraw/zinc/04/35/88/858043588.db2.gz	TZSFQVUZPMYFMN-ZWKOTPCHSA-N	1	0	359.470	1.127	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]CC3)CC2)c1	ZINC000911055431	858053161	/nfs/dbraw/zinc/05/31/61/858053161.db2.gz	OTEPPAPLDVHLLZ-GOSISDBHSA-N	1	0	368.481	1.803	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccncc2)C[C@H]1C	ZINC001105762265	862986966	/nfs/dbraw/zinc/98/69/66/862986966.db2.gz	DYTLNSCKLOHFSQ-SJLPKXTDSA-N	1	0	356.470	1.580	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC(=O)N(C)CC1	ZINC000669334973	862999994	/nfs/dbraw/zinc/99/99/94/862999994.db2.gz	HJROWWBEWSICKT-CVEARBPZSA-N	1	0	374.489	1.058	20	30		FDEDRO
C=CCCCCNC(=O)C(=O)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21	ZINC000911582335	858811330	/nfs/dbraw/zinc/81/13/30/858811330.db2.gz	PVVBHFKRFAJVJU-OXJNMPFZSA-N	1	0	357.454	1.831	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[C@H]4[NH2+]3)CC2)c1	ZINC000911635684	858872470	/nfs/dbraw/zinc/87/24/70/858872470.db2.gz	KVDANLXYHUAWGZ-KURKYZTESA-N	1	0	353.470	1.913	20	30		FDEDRO
CSCCC[NH+]=C(NCCN1CCCS1(=O)=O)NC(C)(C)C	ZINC000912507827	859832266	/nfs/dbraw/zinc/83/22/66/859832266.db2.gz	FNALDSFAJPEFQH-UHFFFAOYSA-N	1	0	350.554	1.109	20	30		FDEDRO
C=CCn1nnn(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1=S	ZINC000758253350	859868397	/nfs/dbraw/zinc/86/83/97/859868397.db2.gz	NBHYHAVWIXKKBH-UHFFFAOYSA-N	1	0	365.551	1.302	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1	ZINC000489713112	860074401	/nfs/dbraw/zinc/07/44/01/860074401.db2.gz	ORNOKGIVFBSOBZ-LLVKDONJSA-N	1	0	373.379	1.630	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@H](CO)[C@H]1C	ZINC000669032707	860836985	/nfs/dbraw/zinc/83/69/85/860836985.db2.gz	SSSVBRMLVYQNKY-VQHPVUNQSA-N	1	0	361.490	1.597	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@@H](COC)C1	ZINC000669034665	860850627	/nfs/dbraw/zinc/85/06/27/860850627.db2.gz	UUYAINICNSEXIM-ZACQAIPSSA-N	1	0	361.490	1.863	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1	ZINC000669036687	860887368	/nfs/dbraw/zinc/88/73/68/860887368.db2.gz	QQQIRQUZFWQETP-SJORKVTESA-N	1	0	363.502	1.418	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CCOCC2)C1	ZINC001112101596	863299434	/nfs/dbraw/zinc/29/94/34/863299434.db2.gz	UHIKFBGIVDDVCH-HUUCEWRRSA-N	1	0	362.392	1.432	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(Cl)c[nH]2)C[C@H]1C	ZINC001105818017	863369471	/nfs/dbraw/zinc/36/94/71/863369471.db2.gz	FDODHAFRSHZSAL-FRRDWIJNSA-N	1	0	350.850	1.104	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@H]1CN(c2ccccc2)C(=O)O1	ZINC000760886395	863395867	/nfs/dbraw/zinc/39/58/67/863395867.db2.gz	CDXKLIBASDEVNI-AWEZNQCLSA-N	1	0	354.414	1.753	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000760890757	863403794	/nfs/dbraw/zinc/40/37/94/863403794.db2.gz	ZFVXLJTVXCTBMR-ZDUSSCGKSA-N	1	0	362.478	1.985	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]C[C@H](O)C1CCCCC1	ZINC001105846495	863477786	/nfs/dbraw/zinc/47/77/86/863477786.db2.gz	YBNPBZRZHYJVHE-OIISXLGYSA-N	1	0	353.532	1.868	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+][C@@H]1CCN(C2CCC2)C1=O	ZINC001105847927	863492290	/nfs/dbraw/zinc/49/22/90/863492290.db2.gz	KUKOBZUPGXXLQV-IIAWOOMASA-N	1	0	364.515	1.081	20	30		FDEDRO
C[C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001105867795	863563587	/nfs/dbraw/zinc/56/35/87/863563587.db2.gz	PJIIKULALYLWSB-RDTXWAMCSA-N	1	0	354.454	1.269	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CSC(C)C)C1	ZINC001111600258	863601085	/nfs/dbraw/zinc/60/10/85/863601085.db2.gz	PNSJVWQKEKLXIE-MPGHIAIKSA-N	1	0	353.532	1.789	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1	ZINC000916487538	881687117	/nfs/dbraw/zinc/68/71/17/881687117.db2.gz	KFALQGAYXKXFLO-IRXDYDNUSA-N	1	0	360.483	1.968	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CNc2ccncc2C#N)CC[N@@H+]1C	ZINC001060316303	863773233	/nfs/dbraw/zinc/77/32/33/863773233.db2.gz	REOPKUIUBLOTAJ-JENIJYKNSA-N	1	0	355.486	1.898	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000761021025	863781101	/nfs/dbraw/zinc/78/11/01/863781101.db2.gz	ZKUWOHQLJZRIFJ-DZGCQCFKSA-N	1	0	360.389	1.410	20	30		FDEDRO
C#CCNS(=O)(=O)N1CC[NH+](Cc2c(C)ccc3ccccc32)CC1	ZINC000761029031	863809201	/nfs/dbraw/zinc/80/92/01/863809201.db2.gz	MXEGMYPHOBAKSP-UHFFFAOYSA-N	1	0	357.479	1.733	20	30		FDEDRO
C#CCNS(=O)(=O)N1CC[NH+](CC2CCC(C(C)(C)C)CC2)CC1	ZINC000761038502	863873113	/nfs/dbraw/zinc/87/31/13/863873113.db2.gz	VSMXMWQHHQKYMY-UHFFFAOYSA-N	1	0	355.548	1.924	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(C)(C)C)[C@H](C)C1	ZINC001105909598	863912562	/nfs/dbraw/zinc/91/25/62/863912562.db2.gz	IWOXIJVMMZTUCD-BRWVUGGUSA-N	1	0	367.534	1.814	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccnc(OC)n2)[C@H](C)C1	ZINC001105915100	863973052	/nfs/dbraw/zinc/97/30/52/863973052.db2.gz	RYJXRIRATPMMOD-OWCLPIDISA-N	1	0	362.474	1.651	20	30		FDEDRO
C[NH+]=C(NCCNC(=O)c1cccc(OC)c1)N1CC[C@@]2(CCOC2)C1	ZINC000158076090	864050845	/nfs/dbraw/zinc/05/08/45/864050845.db2.gz	XUHOKFBFMLKFSM-LJQANCHMSA-N	1	0	360.458	1.113	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCOCC)C[C@H]1C	ZINC001105931982	864077507	/nfs/dbraw/zinc/07/75/07/864077507.db2.gz	WKTZMLJXRITESC-KZNAEPCWSA-N	1	0	367.534	1.910	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)COC)C[C@H]2C)c1	ZINC001105933524	864098847	/nfs/dbraw/zinc/09/88/47/864098847.db2.gz	FESRESRLQVCHKD-JFIYKMOQSA-N	1	0	371.481	1.573	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCC[C@@H]2C)[C@H](C)C1	ZINC001105943151	864164918	/nfs/dbraw/zinc/16/49/18/864164918.db2.gz	XOFCTVMTVMSAMZ-IXDOHACOSA-N	1	0	351.491	1.274	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCc2ccccc2)[C@H](C)C1	ZINC001105946018	864186929	/nfs/dbraw/zinc/18/69/29/864186929.db2.gz	JAKMSAZUOQNGIP-LZLYRXPVSA-N	1	0	356.470	1.189	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]CCc2ccc3c(c2)OCCO3)[C@H](C)C1	ZINC001105946706	864191261	/nfs/dbraw/zinc/19/12/61/864191261.db2.gz	ZEABGJLDUQVNGK-BFYDXBDKSA-N	1	0	357.454	1.844	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)Cc2cccs2)[C@H](C)C1	ZINC001105951292	864209054	/nfs/dbraw/zinc/20/90/54/864209054.db2.gz	ABUINYKRLNXJFK-RRFJBIMHSA-N	1	0	362.499	1.550	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+][C@H]2CCN(C(C)C)C2=O)[C@H](C)C1	ZINC001105984259	864341066	/nfs/dbraw/zinc/34/10/66/864341066.db2.gz	CHBONQWSGBLENI-KURKYZTESA-N	1	0	365.518	1.663	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)N(C)C(C)C)[C@H](C)C1	ZINC001105984463	864342360	/nfs/dbraw/zinc/34/23/60/864342360.db2.gz	KUVLEEVTKNEPQZ-KZNAEPCWSA-N	1	0	367.534	1.909	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C(C)C)[C@H](C)C1	ZINC001105985797	864354492	/nfs/dbraw/zinc/35/44/92/864354492.db2.gz	TZWUKBIYFYZGFK-HZPDHXFCSA-N	1	0	364.494	1.421	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(CC(=O)NC3CCCC3)[C@@H]2C)c1	ZINC001088846252	864546091	/nfs/dbraw/zinc/54/60/91/864546091.db2.gz	DLUFTMWNPZZNQX-KDOFPFPSSA-N	1	0	354.454	1.314	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2=CCCC2)C[C@H]1C	ZINC001106005397	864568084	/nfs/dbraw/zinc/56/80/84/864568084.db2.gz	PVSYEWFVAOHAPL-IJEWVQPXSA-N	1	0	362.474	1.181	20	30		FDEDRO
Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)on1	ZINC001106017126	864640945	/nfs/dbraw/zinc/64/09/45/864640945.db2.gz	FODVIAXDUPNIQM-DGCLKSJQSA-N	1	0	370.413	1.119	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NCC)[C@H](C)C1	ZINC001106026033	864815088	/nfs/dbraw/zinc/81/50/88/864815088.db2.gz	SGGJSEKYMRDDNB-OWCLPIDISA-N	1	0	364.490	1.098	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+]CCCS(=O)(=O)N(C)C)[C@H](C)C1	ZINC001106028980	864875169	/nfs/dbraw/zinc/87/51/69/864875169.db2.gz	CKEBSNPTUHBPQM-IAGOWNOFSA-N	1	0	371.547	1.146	20	30		FDEDRO
CC(C)COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC001106029169	864875379	/nfs/dbraw/zinc/87/53/79/864875379.db2.gz	JMHIQPSHKMDEFT-KYJSFNMBSA-N	1	0	362.474	1.218	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(COC)cc2)[C@H](C)C1	ZINC001106029223	864877203	/nfs/dbraw/zinc/87/72/03/864877203.db2.gz	LROLRPBMMQOKNU-VQIMIIECSA-N	1	0	371.481	1.157	20	30		FDEDRO
CNC(=O)CCCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1	ZINC001106040227	864953478	/nfs/dbraw/zinc/95/34/78/864953478.db2.gz	IDSWAPLCZMYPEO-CRAIPNDOSA-N	1	0	356.470	1.659	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3ccc(CC)cn3)[C@H]2C)C1=O	ZINC001088870911	865062935	/nfs/dbraw/zinc/06/29/35/865062935.db2.gz	NDIOQFWLDUHDBB-AYOQOUSVSA-N	1	0	370.497	1.552	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nc(CCCC)no2)[C@H](C)C1	ZINC001106058828	865066536	/nfs/dbraw/zinc/06/65/36/865066536.db2.gz	JSMFVRRDNRVQGY-CLCXKQKWSA-N	1	0	364.490	1.923	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nnc(C(C)C)n2C)[C@H](C)C1	ZINC001106058900	865068014	/nfs/dbraw/zinc/06/80/14/865068014.db2.gz	LFJNGPPNBNSLAX-CLCXKQKWSA-N	1	0	363.506	1.450	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2ncc(Cl)n2C)[C@H](C)C1	ZINC001106059298	865070210	/nfs/dbraw/zinc/07/02/10/865070210.db2.gz	QWNGJZQBVPLLPP-PBFPGSCMSA-N	1	0	354.882	1.585	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccoc2Cl)C[C@H]1C	ZINC001106058510	865070809	/nfs/dbraw/zinc/07/08/09/865070809.db2.gz	CAJAJESEQDONFY-JHJVBQTASA-N	1	0	353.850	1.921	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(CC)CC)[C@H](C)C1	ZINC001106064824	865103909	/nfs/dbraw/zinc/10/39/09/865103909.db2.gz	JTHWCCLTJQLPEQ-CLCXKQKWSA-N	1	0	353.507	1.302	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]Cc2nc(-c3ccncn3)no2)[C@H](C)C1	ZINC001106066149	865123386	/nfs/dbraw/zinc/12/33/86/865123386.db2.gz	WBSYTRWXGDUDOZ-HUUCEWRRSA-N	1	0	368.441	1.514	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2cccs2)C[C@@H]1O	ZINC001083848422	881856653	/nfs/dbraw/zinc/85/66/53/881856653.db2.gz	BQPVETVJHQUIAO-MHORFTMASA-N	1	0	364.511	1.823	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCn2nc(C)nc2C)[C@@H]1C	ZINC001088914234	865410546	/nfs/dbraw/zinc/41/05/46/865410546.db2.gz	RFDDAAIAKGJXGA-QCSYZSNVSA-N	1	0	361.490	1.455	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cn(CC3CC3)nn2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088945399	865636207	/nfs/dbraw/zinc/63/62/07/865636207.db2.gz	COFVNPQDERRGAG-KDOFPFPSSA-N	1	0	364.453	1.953	20	30		FDEDRO
COc1ccnc(C(=N)Nc2ccc([C@@]34CC[NH2+][C@H]3COCC4)cc2)n1	ZINC001168421838	865696352	/nfs/dbraw/zinc/69/63/52/865696352.db2.gz	AVGWSEHKFCQAHU-KXBFYZLASA-N	1	0	353.426	1.542	20	30		FDEDRO
COc1ccnc(C(=N)Nc2ccc(N3CC[NH+](C(C)C)CC3)nc2)n1	ZINC001168422024	865697448	/nfs/dbraw/zinc/69/74/48/865697448.db2.gz	FGFPVUDTFDHLIW-UHFFFAOYSA-N	1	0	355.446	1.448	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)Cc2nc[nH]n2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088969527	865793960	/nfs/dbraw/zinc/79/39/60/865793960.db2.gz	BRTCMYLWCZJFCS-CJNGLKHVSA-N	1	0	354.414	1.029	20	30		FDEDRO
COc1ccc(C#N)cc1CN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C	ZINC001089037309	866202791	/nfs/dbraw/zinc/20/27/91/866202791.db2.gz	ACBPUNMUKHXKOD-KYJSFNMBSA-N	1	0	356.470	1.598	20	30		FDEDRO
COc1ccc(CN2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)cc1C#N	ZINC001089040330	866227829	/nfs/dbraw/zinc/22/78/29/866227829.db2.gz	MCRCGPLWBUGKLW-QAPCUYQASA-N	1	0	356.470	1.742	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3ncc(C)s3)[C@@H]2C)CC1	ZINC001089059492	866386284	/nfs/dbraw/zinc/38/62/84/866386284.db2.gz	OMOWPIBLQLLHCH-WBVHZDCISA-N	1	0	360.527	1.876	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3ccc(C)s3)[C@H]2C)C1=O	ZINC001089059972	866390311	/nfs/dbraw/zinc/39/03/11/866390311.db2.gz	LKJLTIUHACLBGH-PVAVHDDUSA-N	1	0	361.511	1.965	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3cccc(OC)n3)[C@@H]2C)CC1	ZINC001089059965	866390541	/nfs/dbraw/zinc/39/05/41/866390541.db2.gz	LAEWTCORZFHAOO-APWZRJJASA-N	1	0	370.497	1.514	20	30		FDEDRO
Cc1cc(C(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ncc1C#N	ZINC000457754932	867672691	/nfs/dbraw/zinc/67/26/91/867672691.db2.gz	YOIGRBZVGZOCJZ-NRFANRHFSA-N	1	0	364.449	1.971	20	30		FDEDRO
C=CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000669814609	867676312	/nfs/dbraw/zinc/67/63/12/867676312.db2.gz	VDHAINQLVAUNOQ-INIZCTEOSA-N	1	0	357.462	1.166	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2sccc2F)C[C@H]1C	ZINC001106085322	867692139	/nfs/dbraw/zinc/69/21/39/867692139.db2.gz	DPQAXUBEWVKOMR-FRRDWIJNSA-N	1	0	351.447	1.323	20	30		FDEDRO
COC(=O)C1CC[NH+](CCCNC(=O)CCc2ccc(C#N)cc2)CC1	ZINC000535513330	867726080	/nfs/dbraw/zinc/72/60/80/867726080.db2.gz	GMKULJZQOWYNLT-UHFFFAOYSA-N	1	0	357.454	1.882	20	30		FDEDRO
COc1cc(CNC(=O)N2CCC([N@H+](C)CCCO)CC2)ccc1C#N	ZINC000462480750	868009933	/nfs/dbraw/zinc/00/99/33/868009933.db2.gz	OQNPGOFWSRMOLH-UHFFFAOYSA-N	1	0	360.458	1.555	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)/C=C(/C)CC)C[C@H]1C	ZINC001106097718	868028195	/nfs/dbraw/zinc/02/81/95/868028195.db2.gz	CCFUVLOMOGDGRH-ZRFYOHCESA-N	1	0	364.490	1.427	20	30		FDEDRO
Cc1cc(NC(=O)[C@@H](C)[NH2+]C[C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2C)on1	ZINC001106105608	868142138	/nfs/dbraw/zinc/14/21/38/868142138.db2.gz	ZOSMQMRYWDTHPP-FVQBIDKESA-N	1	0	360.458	1.654	20	30		FDEDRO
COCCc1noc(C[NH2+]C[C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2C)n1	ZINC001106106018	868165412	/nfs/dbraw/zinc/16/54/12/868165412.db2.gz	DHPLZKIWVBBUOZ-HUUCEWRRSA-N	1	0	362.474	1.492	20	30		FDEDRO
COCCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C	ZINC001106108236	868266335	/nfs/dbraw/zinc/26/63/35/868266335.db2.gz	SZMUSLNWJLMNDA-BRWVUGGUSA-N	1	0	365.518	1.261	20	30		FDEDRO
COCCc1nc(CNC[C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2C)no1	ZINC001106109274	868296628	/nfs/dbraw/zinc/29/66/28/868296628.db2.gz	IMARKODPIOUXSU-HUUCEWRRSA-N	1	0	362.474	1.492	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nc(C(C)(C)C)no2)[C@H](C)C1	ZINC001106112012	868400729	/nfs/dbraw/zinc/40/07/29/868400729.db2.gz	VMLBZPBSYBDOBH-QLFBSQMISA-N	1	0	362.474	1.590	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccccc2)[C@H](C)C1	ZINC001106115162	868514117	/nfs/dbraw/zinc/51/41/17/868514117.db2.gz	QNKGTCKYZZTPKD-IAGOWNOFSA-N	1	0	357.454	1.349	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2nnc(CC)s2)[C@H](C)C1	ZINC001106115464	868523429	/nfs/dbraw/zinc/52/34/29/868523429.db2.gz	XIAWAAIFDFGWQU-ZIAGYGMSSA-N	1	0	350.488	1.325	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)CC[N@@H+](C)CCC)C1	ZINC001060420796	869521817	/nfs/dbraw/zinc/52/18/17/869521817.db2.gz	VGXRDQYRADQVEU-KSZLIROESA-N	1	0	365.518	1.664	20	30		FDEDRO
C=C(C)C[C@H](NC(=O)c1cccc(N2CC[NH+](C)CC2)n1)C(=O)OCC	ZINC000916727397	882351083	/nfs/dbraw/zinc/35/10/83/882351083.db2.gz	VOABYJNQPAHVJY-INIZCTEOSA-N	1	0	360.458	1.461	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCc2cnn(-c3ccccc3)c2)CC1	ZINC000913983703	870221218	/nfs/dbraw/zinc/22/12/18/870221218.db2.gz	UWRDJDQBVOWDSF-UHFFFAOYSA-N	1	0	351.454	1.812	20	30		FDEDRO
C[NH+]1CCN(Cc2ccc(CNC(=O)N3CCC[C@H](C#N)C3)cc2)CC1	ZINC000914021832	870387973	/nfs/dbraw/zinc/38/79/73/870387973.db2.gz	CPOHUZBUUHVQDG-LJQANCHMSA-N	1	0	355.486	1.879	20	30		FDEDRO
N#Cc1ccccc1N1CCN(S(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)CC1	ZINC000914030703	870406819	/nfs/dbraw/zinc/40/68/19/870406819.db2.gz	DOGYENYJWPGWMP-IBGZPJMESA-N	1	0	374.510	1.496	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2nn(C)c3ccccc23)C[C@H]1C	ZINC001106137121	870531101	/nfs/dbraw/zinc/53/11/01/870531101.db2.gz	OBVSZCNJYIYWBG-IAGOWNOFSA-N	1	0	368.481	1.450	20	30		FDEDRO
C#CC[C@@H](CO)NC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1	ZINC000914090049	870689707	/nfs/dbraw/zinc/68/97/07/870689707.db2.gz	XENWBDBNBLQLTQ-RBUKOAKNSA-N	1	0	358.486	1.049	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H](S(N)(=O)=O)C1)C(C)C	ZINC000914125958	870941338	/nfs/dbraw/zinc/94/13/38/870941338.db2.gz	PZIMBMJILBFIDR-HZPDHXFCSA-N	1	0	372.535	1.148	20	30		FDEDRO
C#CCN(C(=O)NCc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](C)CC1	ZINC000914139797	871040933	/nfs/dbraw/zinc/04/09/33/871040933.db2.gz	IMKRYRYFSSJIMT-UHFFFAOYSA-N	1	0	363.483	1.329	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNc2nc(C#N)c(Cl)s2)CC[N@@H+]1C	ZINC001106141854	871162479	/nfs/dbraw/zinc/16/24/79/871162479.db2.gz	IMJBEDWRVWTITD-JFGNBEQYSA-N	1	0	371.894	1.287	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)cn2)C[C@H]1C	ZINC001106145947	871364765	/nfs/dbraw/zinc/36/47/65/871364765.db2.gz	LHPMNFQTQXAAAG-HZPDHXFCSA-N	1	0	370.497	1.426	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CC)[C@H](C)C1	ZINC001106146985	871401622	/nfs/dbraw/zinc/40/16/22/871401622.db2.gz	QCDQJUXVDFZIKV-TVFCKZIOSA-N	1	0	365.518	1.520	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCc2cnn(C)c2)[C@H](C)C1	ZINC001106147302	871403778	/nfs/dbraw/zinc/40/37/78/871403778.db2.gz	XALLPHATFHFSAP-OWYHZJEWSA-N	1	0	360.502	1.628	20	30		FDEDRO
CCC(=O)N[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1	ZINC001106164110	871498973	/nfs/dbraw/zinc/49/89/73/871498973.db2.gz	CVGRWMYKYBTLIP-ZHALLVOQSA-N	1	0	355.482	1.637	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CCC[C@@H](C)O)C[C@H]2OC)cc1	ZINC001212471999	871510783	/nfs/dbraw/zinc/51/07/83/871510783.db2.gz	HQLIOLRZGHEGLS-ATZDWAIDSA-N	1	0	362.470	1.841	20	30		FDEDRO
C#C[C@H](NC(=O)N[C@@H]1C[C@@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O)[C@H]1CCCO1	ZINC000922048222	871571950	/nfs/dbraw/zinc/57/19/50/871571950.db2.gz	VRKPOOPVQXANKD-DCDDNHAVSA-N	1	0	363.502	1.336	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H](C[NH2+]CCOCCNC(C)=O)[C@H](C)C1	ZINC001106175790	871580671	/nfs/dbraw/zinc/58/06/71/871580671.db2.gz	URMWGUXUOGPWFP-VQIMIIECSA-N	1	0	365.518	1.592	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(cc[nH]c3=O)n2)[C@H](OC)C1	ZINC001212487073	872143958	/nfs/dbraw/zinc/14/39/58/872143958.db2.gz	QLYKWQJUUJFZCP-IAGOWNOFSA-N	1	0	356.426	1.731	20	30		FDEDRO
C[N@H+](CCNC(=O)c1c(Cl)cc(C#N)cc1Cl)CCOCCO	ZINC000922119254	872192760	/nfs/dbraw/zinc/19/27/60/872192760.db2.gz	PMVVILNZBNWVQD-UHFFFAOYSA-N	1	0	360.241	1.536	20	30		FDEDRO
C#CCN(C(=O)NCc1ccc(N2CCOCC2)cc1)C1CC[NH+](C)CC1	ZINC000914334891	872368479	/nfs/dbraw/zinc/36/84/79/872368479.db2.gz	HLQNWIAWQFJDDT-UHFFFAOYSA-N	1	0	370.497	1.762	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@]3(C)C2)C1	ZINC000992810772	872450721	/nfs/dbraw/zinc/45/07/21/872450721.db2.gz	ZBGLPYIISBBFCF-SXGZJXTBSA-N	1	0	369.469	1.149	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(c2c(C#N)nnc3ccccc32)CC1	ZINC000265818406	872616226	/nfs/dbraw/zinc/61/62/26/872616226.db2.gz	HJHFJXRJCLJBNE-UHFFFAOYSA-N	1	0	352.442	1.492	20	30		FDEDRO
CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)CC(C)(C)C#N	ZINC000914401683	872718276	/nfs/dbraw/zinc/71/82/76/872718276.db2.gz	USLJTULCUJOVQW-GOSISDBHSA-N	1	0	365.499	1.435	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cn(-c3ccccc3)nn2)[C@H](OC)C1	ZINC001212502713	872725070	/nfs/dbraw/zinc/72/50/70/872725070.db2.gz	NCCGQAQLIIQBBM-SJLPKXTDSA-N	1	0	355.442	1.663	20	30		FDEDRO
COc1ccc(CN2C[C@@H](NC(=O)CC(C)(C)O)[C@H](OC)C2)cc1C#N	ZINC001212198562	872888797	/nfs/dbraw/zinc/88/87/97/872888797.db2.gz	FZUIUEMGZMBAPC-NVXWUHKLSA-N	1	0	361.442	1.043	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)nc(C)c2)C[C@H]1C	ZINC001106182519	873033503	/nfs/dbraw/zinc/03/35/03/873033503.db2.gz	XEBNAXYXWWYMRK-MZMPZRCHSA-N	1	0	358.486	1.687	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NCC)[C@H](C)C1	ZINC001106183504	873072153	/nfs/dbraw/zinc/07/21/53/873072153.db2.gz	AJSROPFEYXENDW-ZIAGYGMSSA-N	1	0	352.479	1.119	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C[NH2+]C[C@H](O)CN2CCCC2=O)[C@H](C)C1	ZINC001106183555	873073383	/nfs/dbraw/zinc/07/33/83/873073383.db2.gz	CPHXDFXPAVODEJ-ZACQAIPSSA-N	1	0	365.518	1.256	20	30		FDEDRO
C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1CN(C(=O)C13CCC[NH+]1CCC3)C2	ZINC000992890893	873117099	/nfs/dbraw/zinc/11/70/99/873117099.db2.gz	SYZZXQXYWCYNQP-FXAWDEMLSA-N	1	0	355.482	1.335	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]3(C)C2)CC1	ZINC000992890908	873117317	/nfs/dbraw/zinc/11/73/17/873117317.db2.gz	UHLIPBVJAMTDDV-SIKLNZKXSA-N	1	0	367.493	1.052	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@@H]2CCOC2)CC1	ZINC001003363852	873218720	/nfs/dbraw/zinc/21/87/20/873218720.db2.gz	WAWQULMJOWLNAN-AITUJVMLSA-N	1	0	373.497	1.006	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCC(=C)C)C[C@H]1C	ZINC001106192147	873258397	/nfs/dbraw/zinc/25/83/97/873258397.db2.gz	XZUYXQNYHZLMDC-BZUAXINKSA-N	1	0	364.490	1.427	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCCC2(CNc3ccc(C#N)nn3)CC2)CC[N@@H+]1C	ZINC001090009096	873492500	/nfs/dbraw/zinc/49/25/00/873492500.db2.gz	UFGZVIDDPAFGNW-JKSUJKDBSA-N	1	0	356.474	1.777	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CN(Cc3ccccc3C#N)C[C@@H]2O)C1	ZINC001083719536	873548677	/nfs/dbraw/zinc/54/86/77/873548677.db2.gz	IOFFSAJXNUONEU-ZCNNSNEGSA-N	1	0	370.497	1.342	20	30		FDEDRO
CC(C)C(=O)N(C)CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1	ZINC001106198874	873631920	/nfs/dbraw/zinc/63/19/20/873631920.db2.gz	QVLKXNIRKHLMTN-VQIMIIECSA-N	1	0	370.497	1.857	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1C	ZINC001106205175	873690402	/nfs/dbraw/zinc/69/04/02/873690402.db2.gz	FSQKYSQHCPJHQT-HZPDHXFCSA-N	1	0	359.536	1.308	20	30		FDEDRO
C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000914442664	873846367	/nfs/dbraw/zinc/84/63/67/873846367.db2.gz	JYIBUNWIICPEAW-YPWSZFOLSA-N	1	0	362.474	1.624	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]cc1C	ZINC001003676933	874012300	/nfs/dbraw/zinc/01/23/00/874012300.db2.gz	PRZHSKDQZUDNMG-BGTYHANMSA-N	1	0	354.454	1.282	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3cnoc3C)[C@H](C)C2)CCOCC1	ZINC001106235638	874048769	/nfs/dbraw/zinc/04/87/69/874048769.db2.gz	YPPNZHOZLONCJK-CRAIPNDOSA-N	1	0	359.470	1.987	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]C[C@H](C)CS(C)(=O)=O)[C@H](C)C2)CCC1	ZINC001106236655	874064403	/nfs/dbraw/zinc/06/44/03/874064403.db2.gz	YKEUYMSWVZCVCS-GVDBMIGSSA-N	1	0	368.543	1.545	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]C[C@H]3CCNC(=O)CC3)[C@H](C)C2)CCC1	ZINC001106237119	874065200	/nfs/dbraw/zinc/06/52/00/874065200.db2.gz	FNQVFCSLZKIMIF-KZNAEPCWSA-N	1	0	359.514	1.780	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106239885	874079926	/nfs/dbraw/zinc/07/99/26/874079926.db2.gz	BJGWETCVOBEXFC-BHIYHBOVSA-N	1	0	353.466	1.248	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(CN=[S@](C)(=O)N(C)C)CC1	ZINC001122414105	874146153	/nfs/dbraw/zinc/14/61/53/874146153.db2.gz	LWLCEBCXWMNKNO-XMHCIUCPSA-N	1	0	350.916	1.269	20	30		FDEDRO
CCCCCCCCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC)[C@H](C)C1	ZINC001106256043	874173129	/nfs/dbraw/zinc/17/31/29/874173129.db2.gz	VKFMUCHNWMIRRF-IAGOWNOFSA-N	1	0	355.523	1.794	20	30		FDEDRO
CCc1noc(CC)c1CC(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1	ZINC001106261625	874204993	/nfs/dbraw/zinc/20/49/93/874204993.db2.gz	YZQNJRUHLPUYEE-HZPDHXFCSA-N	1	0	361.486	1.676	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cncc(Cl)c2C)C[C@H]1C	ZINC001106279977	874397048	/nfs/dbraw/zinc/39/70/48/874397048.db2.gz	GOJIDPYPZVPKJD-TZMCWYRMSA-N	1	0	364.877	1.643	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1C	ZINC001106283539	874433326	/nfs/dbraw/zinc/43/33/26/874433326.db2.gz	ULNBRGRMVIWASV-RTXFEEFZSA-N	1	0	358.280	1.105	20	30		FDEDRO
C[C@@H]1CC(N=Nc2ccc(S(=O)(=O)NC3CCCC3)cn2)C[N@@H+]1C	ZINC000761806065	874497708	/nfs/dbraw/zinc/49/77/08/874497708.db2.gz	QXNYMGDYNOOQCN-GFCCVEGCSA-N	1	0	351.476	1.794	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cn3cc(C)ccc3n2)C[C@H]1C	ZINC001106316266	874759154	/nfs/dbraw/zinc/75/91/54/874759154.db2.gz	MCXAIFVOZQNJRD-HZPDHXFCSA-N	1	0	369.469	1.243	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(C(N)=O)nc2)C[C@H]1C	ZINC001106318514	874768585	/nfs/dbraw/zinc/76/85/85/874768585.db2.gz	GRDTVDSLBYWSKT-BFYDXBDKSA-N	1	0	358.486	1.762	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)cc(C)n2)C[C@H]1C	ZINC001106355609	874886747	/nfs/dbraw/zinc/88/67/47/874886747.db2.gz	NUHQMSVMSGYVNQ-HYVNUMGLSA-N	1	0	356.470	1.134	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2ccc(F)cc2)C[C@H]1C	ZINC001106383710	875018378	/nfs/dbraw/zinc/01/83/78/875018378.db2.gz	CLBXTTDUFGAZOY-NVXWUHKLSA-N	1	0	361.461	1.745	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)C1	ZINC000923596792	875089780	/nfs/dbraw/zinc/08/97/80/875089780.db2.gz	JBLIPHOSDZXQCG-GOSISDBHSA-N	1	0	366.465	1.617	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccnc2C(F)F)C[C@H]1C	ZINC001106405122	875142656	/nfs/dbraw/zinc/14/26/56/875142656.db2.gz	KFKXCSQUZJJWIQ-CHWSQXEVSA-N	1	0	364.396	1.066	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(-c3ccco3)o2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106407105	875151602	/nfs/dbraw/zinc/15/16/02/875151602.db2.gz	XGTMLBSLCHDANP-ZIAGYGMSSA-N	1	0	370.409	1.477	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)CCOC3)C[C@H]1C	ZINC001106412329	875159361	/nfs/dbraw/zinc/15/93/61/875159361.db2.gz	MELOLZMJTXAONB-DNVCBOLYSA-N	1	0	371.481	1.359	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC(C)(C)CO2)C[C@H]1C	ZINC001106413944	875164182	/nfs/dbraw/zinc/16/41/82/875164182.db2.gz	ZNXBPTHYAFOCHG-OAGGEKHMSA-N	1	0	351.491	1.178	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccn3ccccc23)C[C@H]1C	ZINC001106409736	875173560	/nfs/dbraw/zinc/17/35/60/875173560.db2.gz	WCZRYZPPPRTWJD-IXDOHACOSA-N	1	0	368.481	1.928	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c(C)onc2C2CC2)C[C@H]1C	ZINC001106437819	875315560	/nfs/dbraw/zinc/31/55/60/875315560.db2.gz	OPKXKEUHIONYEB-IUODEOHRSA-N	1	0	360.458	1.460	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCC(C)(C)CO2)C[C@H]1C	ZINC001106450375	875356599	/nfs/dbraw/zinc/35/65/99/875356599.db2.gz	FCFDAEAAVSMQCZ-ZACQAIPSSA-N	1	0	363.502	1.015	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@]2(C)c2ccccc2)C[C@H]1C	ZINC001106453533	875388711	/nfs/dbraw/zinc/38/87/11/875388711.db2.gz	MYGNHROGIPEZMK-KZFRKFNSSA-N	1	0	369.509	1.951	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)nc2C)C[C@H]1C	ZINC001106455358	875400288	/nfs/dbraw/zinc/40/02/88/875400288.db2.gz	PFQSFZXCHBKMCV-ZTFGCOKTSA-N	1	0	370.497	1.442	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@]2(C)C1	ZINC000993176501	875454241	/nfs/dbraw/zinc/45/42/41/875454241.db2.gz	VERDMJLRCVTMFL-MUKKUYKPSA-N	1	0	351.410	1.414	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]Cc2nc(C)no2)[C@H](C)C1	ZINC001106482954	875598427	/nfs/dbraw/zinc/59/84/27/875598427.db2.gz	PXPBEUAKCSBHEX-DDUZABMNSA-N	1	0	350.463	1.791	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C)nc2C2CC2)C[C@H]1C	ZINC001106488417	875654448	/nfs/dbraw/zinc/65/44/48/875654448.db2.gz	MQLCMVZZUXYPIC-RHSMWYFYSA-N	1	0	370.497	1.867	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3ncccc32)C[C@H]1C	ZINC001106495674	875712390	/nfs/dbraw/zinc/71/23/90/875712390.db2.gz	KLCDDWAYGIPZIE-HZPDHXFCSA-N	1	0	364.449	1.282	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC([C@@]3(C)COC(=O)N3)CC2)CC1	ZINC000917098589	882969745	/nfs/dbraw/zinc/96/97/45/882969745.db2.gz	ZZPMUBKEDLPGIE-LJQANCHMSA-N	1	0	364.490	1.947	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC2(CS(C)(=O)=O)CC2)[C@H](C)C1	ZINC001106527492	875847857	/nfs/dbraw/zinc/84/78/57/875847857.db2.gz	WPVMHPDWNYJIPG-HUUCEWRRSA-N	1	0	356.532	1.708	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106555274	875943084	/nfs/dbraw/zinc/94/30/84/875943084.db2.gz	ZHAUZJRKZHAWEJ-QRQLOZEOSA-N	1	0	353.466	1.201	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]CCCS(=O)(=O)CC)[C@H](C)C1	ZINC001106556306	875945931	/nfs/dbraw/zinc/94/59/31/875945931.db2.gz	NEKAKHLGUQDBRJ-IAGOWNOFSA-N	1	0	356.532	1.689	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2nccs2)[C@H](C)C1	ZINC001106557901	875949905	/nfs/dbraw/zinc/94/99/05/875949905.db2.gz	KANMNHSSOZBATP-HUUCEWRRSA-N	1	0	362.499	1.959	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](C[NH2+]CCOCCNC(C)=O)[C@H](C)C1	ZINC001106564075	875964097	/nfs/dbraw/zinc/96/40/97/875964097.db2.gz	RKKOMALXNPEBKA-LZLYRXPVSA-N	1	0	353.507	1.426	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc[nH]c2CCC)C[C@H]1C	ZINC001106569397	875982006	/nfs/dbraw/zinc/98/20/06/875982006.db2.gz	IDSWFTUEZNDGLP-OWCLPIDISA-N	1	0	360.502	1.956	20	30		FDEDRO
CO[C@H](C(=O)N[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H]1OC)C1CC1	ZINC001212203092	876079188	/nfs/dbraw/zinc/07/91/88/876079188.db2.gz	CBKIHRZDCKMALB-KURKYZTESA-N	1	0	361.417	1.438	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(F)c(F)c2)C[C@H]1C	ZINC001106594810	876091837	/nfs/dbraw/zinc/09/18/37/876091837.db2.gz	IAPUYLJGRGZNOY-GDBMZVCRSA-N	1	0	350.409	1.841	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCCc2ccccc2)C[C@H]1C	ZINC001106615492	876217012	/nfs/dbraw/zinc/21/70/12/876217012.db2.gz	XASNMLLSXRFLMQ-UYAOXDASSA-N	1	0	369.509	1.833	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCOCC2)[C@H](C)C1	ZINC001106629887	876265147	/nfs/dbraw/zinc/26/51/47/876265147.db2.gz	VYRDPHQSVSOBKG-MDZRGWNJSA-N	1	0	351.491	1.132	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2nncs2)[C@H](C)C1	ZINC001106629003	876274713	/nfs/dbraw/zinc/27/47/13/876274713.db2.gz	AFDYSHFKPZYFKZ-XNJGSVPQSA-N	1	0	365.503	1.763	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCO[C@H](C)C3)[C@H](C)C2)C1	ZINC001106648390	876366964	/nfs/dbraw/zinc/36/69/64/876366964.db2.gz	CRXIEVJVQLFYIV-BRWVUGGUSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NCC)[C@H](C)C2)C1	ZINC001106647388	876381542	/nfs/dbraw/zinc/38/15/42/876381542.db2.gz	NQLPSZHWIHJPSL-RBSFLKMASA-N	1	0	364.490	1.261	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)N(C)C(C)C)[C@H](C)C2)c1	ZINC001106650460	876387968	/nfs/dbraw/zinc/38/79/68/876387968.db2.gz	OLYRJMXTRRYAJM-GPMSIDNRSA-N	1	0	370.497	1.616	20	30		FDEDRO
C=C(C)Cn1c(COC)nnc1N1CC[N@H+](CCOC)[C@H](CCC)C1	ZINC000670197854	876404898	/nfs/dbraw/zinc/40/48/98/876404898.db2.gz	RCFGQTKXMFZRLN-MRXNPFEDSA-N	1	0	351.495	1.938	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC/C=C/c2ccccc2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106660156	876454432	/nfs/dbraw/zinc/45/44/32/876454432.db2.gz	DEJIOHYPQOPEQE-AROHPSPASA-N	1	0	368.481	1.804	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)nn2CC)C[C@H]1C	ZINC001106693708	876576099	/nfs/dbraw/zinc/57/60/99/876576099.db2.gz	XPWFYZOBXOWLRN-VNQPRFMTSA-N	1	0	361.490	1.200	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2ccccc2C)C[C@H]1C	ZINC001106699134	876606943	/nfs/dbraw/zinc/60/69/43/876606943.db2.gz	OSWIQGOLZVLZKA-QWFCFKBJSA-N	1	0	369.509	1.750	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)n2cccn2)[C@@H](n2ccnn2)C1	ZINC001128737108	883056516	/nfs/dbraw/zinc/05/65/16/883056516.db2.gz	XWVZUYQORPADTD-KURKYZTESA-N	1	0	371.489	1.824	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1C#N	ZINC000272291844	876932676	/nfs/dbraw/zinc/93/26/76/876932676.db2.gz	FIDRNWKCWDSBIE-WMLDXEAASA-N	1	0	370.453	1.837	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)OC2CCCC2)C[C@H]1C	ZINC001106718018	876942262	/nfs/dbraw/zinc/94/22/62/876942262.db2.gz	WTTPZRWEWSPDHB-JFIYKMOQSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(S(C)(=O)=O)o2)C[C@H]1C	ZINC001106718363	876948189	/nfs/dbraw/zinc/94/81/89/876948189.db2.gz	IGOSOUWSFXCZEC-ZYHUDNBSSA-N	1	0	360.863	1.733	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc3ccccn3c2)C[C@H]1C	ZINC001106723967	876980125	/nfs/dbraw/zinc/98/01/25/876980125.db2.gz	WVSQJKJAVRDJKW-SOLBZPMBSA-N	1	0	366.465	1.375	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)c2cccnc2)C[C@H]1C	ZINC001106727419	877003220	/nfs/dbraw/zinc/00/32/20/877003220.db2.gz	LXSKPXUZVQFHJZ-LZLYRXPVSA-N	1	0	356.470	1.009	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCC2CCOCC2)C[C@H]1C	ZINC001106727923	877011215	/nfs/dbraw/zinc/01/12/15/877011215.db2.gz	ZWBSLQOLIPFNCT-SOLBZPMBSA-N	1	0	363.502	1.015	20	30		FDEDRO
COCCOC(=O)c1c(C)[nH]c(C(=O)NC2(C#N)CC[NH+](C)CC2)c1C	ZINC000915646584	877144774	/nfs/dbraw/zinc/14/47/74/877144774.db2.gz	ZSUSNHSQDSAJHZ-UHFFFAOYSA-N	1	0	362.430	1.153	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cncc(N3CCCC3)n2)C[C@H]1C	ZINC001106731081	877234419	/nfs/dbraw/zinc/23/44/19/877234419.db2.gz	GCRJYJKCPLYKNO-IAGOWNOFSA-N	1	0	371.485	1.024	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2cc(C)no2)[C@H](C)C1	ZINC001106733374	877268194	/nfs/dbraw/zinc/26/81/94/877268194.db2.gz	UJPMVXIRTPCSJW-QBIMZIAESA-N	1	0	362.474	1.638	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C(N)=O)c2)C1	ZINC000999188553	912223753	/nfs/dbraw/zinc/22/37/53/912223753.db2.gz	AVCUYGCVVQFPLL-QRVBRYPASA-N	1	0	371.481	1.847	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3csc(-c4ncc[nH]4)n3)[C@H]2C1	ZINC001083148729	912231254	/nfs/dbraw/zinc/23/12/54/912231254.db2.gz	CFWJEJQRWQXUPV-UONOGXRCSA-N	1	0	359.455	1.635	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@@]2(C)C1	ZINC000993344819	877432325	/nfs/dbraw/zinc/43/23/25/877432325.db2.gz	FHTWPLWFJKVFOQ-LDBYXDLTSA-N	1	0	368.481	1.828	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@]2(C)C1	ZINC000993349190	877448652	/nfs/dbraw/zinc/44/86/52/877448652.db2.gz	WINNXPYRIBWZJE-TXPKVOOTSA-N	1	0	358.486	1.329	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2c2ncccn2)C[C@H]1C(F)(F)F	ZINC001099262975	877492031	/nfs/dbraw/zinc/49/20/31/877492031.db2.gz	MHEMHSMUMMRCGL-MCIONIFRSA-N	1	0	369.391	1.610	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCc2cnn(C)c2)[C@H](C)C1	ZINC001106752750	877523310	/nfs/dbraw/zinc/52/33/10/877523310.db2.gz	JTYBEBSFRNEIJC-YSHGAJCASA-N	1	0	360.502	1.628	20	30		FDEDRO
CC(=O)NCC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1	ZINC001106755254	877551578	/nfs/dbraw/zinc/55/15/78/877551578.db2.gz	RMJAFSSPOMTDGJ-YLJYHZDGSA-N	1	0	369.509	1.885	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)Cc2ccc3c(c2)NC(=O)C3)[C@H](OC)C1	ZINC001212418678	912254326	/nfs/dbraw/zinc/25/43/26/912254326.db2.gz	MHAZMMFFUPBBQB-QZTJIDSGSA-N	1	0	357.454	1.505	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)c2c(C)noc2C)C[C@H]1C	ZINC001106763373	877619573	/nfs/dbraw/zinc/61/95/73/877619573.db2.gz	FALNBAWJTABULF-DVOMOZLQSA-N	1	0	362.474	1.381	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cncc(Cl)c2)C[C@H]1C	ZINC001106763462	877619733	/nfs/dbraw/zinc/61/97/33/877619733.db2.gz	IPOBMGBBDGNPCI-VNHYZAJKSA-N	1	0	364.877	1.723	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(OC)c(C)c2)C[C@H]1C	ZINC001106763883	877622994	/nfs/dbraw/zinc/62/29/94/877622994.db2.gz	XBRCGVWQMPUPAT-NVXWUHKLSA-N	1	0	357.454	1.051	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)C[C@@H](C)O3)C[C@H]1C	ZINC001106765373	877634528	/nfs/dbraw/zinc/63/45/28/877634528.db2.gz	YYPFCTCAIXUNMW-GPMSIDNRSA-N	1	0	356.466	1.958	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCOc3ccccc32)C[C@H]1C	ZINC001106769823	877683062	/nfs/dbraw/zinc/68/30/62/877683062.db2.gz	LOVYVKDTAWZBAN-JFIYKMOQSA-N	1	0	371.481	1.539	20	30		FDEDRO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H](CO)C2CC2)c1C#N	ZINC000763064193	877710757	/nfs/dbraw/zinc/71/07/57/877710757.db2.gz	DSUDPRZKGYCQAE-QGZVFWFLSA-N	1	0	356.426	1.917	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CNC(=O)C2CCOCC2)C[C@H]1C	ZINC001106778346	877787080	/nfs/dbraw/zinc/78/70/80/877787080.db2.gz	HJAKTDRMGXYOMR-SOLBZPMBSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3CN(C(=O)[C@@H](C4CC4)[NH+](C)C)C[C@@]3(C)C2)C1	ZINC000993395571	877832730	/nfs/dbraw/zinc/83/27/30/877832730.db2.gz	KDAQVFUUWGANFK-LZJOCLMNSA-N	1	0	359.514	1.990	20	30		FDEDRO
Cc1cc(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)cc(C)c1C#N	ZINC000922351272	877867367	/nfs/dbraw/zinc/86/73/67/877867367.db2.gz	WXRHIYDADMAVTI-LJQANCHMSA-N	1	0	370.497	1.702	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@H](C)N(C)C(=O)OC(C)(C)C)CC1	ZINC000922386081	878001382	/nfs/dbraw/zinc/00/13/82/878001382.db2.gz	MLORPSAHVGDFIW-AWEZNQCLSA-N	1	0	352.479	1.639	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1C	ZINC001106799240	878007248	/nfs/dbraw/zinc/00/72/48/878007248.db2.gz	FFMLUEJYBKPEJN-HZPDHXFCSA-N	1	0	361.490	1.061	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C2CCC(C(N)=O)CC2)C[C@H]1C(F)(F)F	ZINC001099273815	878020691	/nfs/dbraw/zinc/02/06/91/878020691.db2.gz	HMWWZRZSDNEDOC-NWINJMCUSA-N	1	0	361.408	1.833	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@]2(C)C1	ZINC000993441350	878215306	/nfs/dbraw/zinc/21/53/06/878215306.db2.gz	YAVVDWOXLZLWPD-QEEYODRMSA-N	1	0	369.469	1.291	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccc(COCCOC)cc2)CC1	ZINC000922551523	878508845	/nfs/dbraw/zinc/50/88/45/878508845.db2.gz	UQYROISDDCBBSV-UHFFFAOYSA-N	1	0	359.470	1.746	20	30		FDEDRO
C=CCc1cc(C[NH2+]C[C@]2(OC)CCS(=O)(=O)C2)cc(OC)c1O	ZINC000922614058	878785083	/nfs/dbraw/zinc/78/50/83/878785083.db2.gz	BWOZHQDMTAXZBE-QGZVFWFLSA-N	1	0	355.456	1.423	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2c2ncc(C#N)cc2F)CC[N@@H+]1C	ZINC001061466030	878900063	/nfs/dbraw/zinc/90/00/63/878900063.db2.gz	AUZVROOBZLOHKQ-YQQAZPJKSA-N	1	0	359.449	1.908	20	30		FDEDRO
C=C(C)CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@H]1CC[C@@H](C)O1)CC2	ZINC001128054402	912399922	/nfs/dbraw/zinc/39/99/22/912399922.db2.gz	PTSZVYCXSAXITD-OWCLPIDISA-N	1	0	361.490	1.723	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)C2=O)cc1	ZINC000329766119	878943604	/nfs/dbraw/zinc/94/36/04/878943604.db2.gz	XSSYZWXCHJSMCS-HKUYNNGSSA-N	1	0	366.465	1.998	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CC1	ZINC001004489639	879691788	/nfs/dbraw/zinc/69/17/88/879691788.db2.gz	MTSCGYQQSCSXGI-SQNIBIBYSA-N	1	0	363.502	1.689	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1	ZINC001004523606	879789102	/nfs/dbraw/zinc/78/91/02/879789102.db2.gz	GWDGBWIJOPVWBH-KURKYZTESA-N	1	0	363.502	1.274	20	30		FDEDRO
C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)[C@H](C)C1	ZINC000993919650	880151532	/nfs/dbraw/zinc/15/15/32/880151532.db2.gz	VXJLODMUCORBPM-IIAWOOMASA-N	1	0	357.458	1.195	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCN(CC(F)(F)F)C3)[C@H]2C1	ZINC001083176398	912541924	/nfs/dbraw/zinc/54/19/24/912541924.db2.gz	QMWHXSFKZXLRJJ-QLFBSQMISA-N	1	0	361.408	1.358	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C	ZINC000994083840	880625550	/nfs/dbraw/zinc/62/55/50/880625550.db2.gz	MFQAKDRGEVWUCE-TVFCKZIOSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ncoc2C(C)C)C[C@H]1C	ZINC001106842705	880670736	/nfs/dbraw/zinc/67/07/36/880670736.db2.gz	YKFCWZNBXPKCCG-QLFBSQMISA-N	1	0	362.474	1.786	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C	ZINC000994161374	880865380	/nfs/dbraw/zinc/86/53/80/880865380.db2.gz	OGEIWOCFPJDBKS-BRSBDYLESA-N	1	0	372.513	1.839	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@]2(C)CCN(C(C)=O)C2)C[C@H]1C	ZINC001106844515	880925122	/nfs/dbraw/zinc/92/51/22/880925122.db2.gz	AHLKLGIQARQKPN-SZVBFZGTSA-N	1	0	351.491	1.132	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2nccn3cc(C)nc23)C[C@H]1C	ZINC001106847128	881028643	/nfs/dbraw/zinc/02/86/43/881028643.db2.gz	NNIJHNGQHQIHJS-GDBMZVCRSA-N	1	0	357.458	1.538	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2coc(C3CCC3)n2)C[C@H]1C	ZINC001106850164	881091923	/nfs/dbraw/zinc/09/19/23/881091923.db2.gz	QOIQUXPLMODDJP-UKRRQHHQSA-N	1	0	360.458	1.542	20	30		FDEDRO
CCCCn1cc(C(=O)N2C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C2)c(C)n1	ZINC001106856006	881118383	/nfs/dbraw/zinc/11/83/83/881118383.db2.gz	BBJDUAVYECHVHM-SJLPKXTDSA-N	1	0	360.502	1.939	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)C2=O)cc1	ZINC000272733460	881191419	/nfs/dbraw/zinc/19/14/19/881191419.db2.gz	HHODWJDBMMMCAF-QZTJIDSGSA-N	1	0	367.453	1.543	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CCCC[N@H+]2C)cn1	ZINC001004739641	881193640	/nfs/dbraw/zinc/19/36/40/881193640.db2.gz	JJCFUTFEZZTLIT-YRXWBPOGSA-N	1	0	366.465	1.409	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)nn2)C[C@H]1C	ZINC001106862927	881301133	/nfs/dbraw/zinc/30/11/33/881301133.db2.gz	ZECUSXJIDMJSRO-IAGOWNOFSA-N	1	0	371.485	1.024	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCCN2C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC001005442913	883400971	/nfs/dbraw/zinc/40/09/71/883400971.db2.gz	RJLKRNYICIOGPY-FHLIZLRMSA-N	1	0	371.485	1.728	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc3ccccc3n2)C[C@H]1C	ZINC001106888708	883420533	/nfs/dbraw/zinc/42/05/33/883420533.db2.gz	WGFOAXOZJADNPL-SJLPKXTDSA-N	1	0	354.454	1.370	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1	ZINC001033952027	883569975	/nfs/dbraw/zinc/56/99/75/883569975.db2.gz	ODUSWZSEIOHLON-KURKYZTESA-N	1	0	363.502	1.655	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nnc(C(C)C)n2C)C1	ZINC000999426248	912747939	/nfs/dbraw/zinc/74/79/39/912747939.db2.gz	BAUWCNNNLNZAID-FJBKBRRZSA-N	1	0	361.490	1.609	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nnc3n2CCCC3)C1	ZINC000999428362	912752084	/nfs/dbraw/zinc/75/20/84/912752084.db2.gz	QGARMZZXBYEPNB-FJBKBRRZSA-N	1	0	359.474	1.285	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cc(CO)ccc2F)C1	ZINC000999432813	912762665	/nfs/dbraw/zinc/76/26/65/912762665.db2.gz	XTQXNPJLJQVFCC-WXVPWVKJSA-N	1	0	362.445	1.988	20	30		FDEDRO
CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)CC1	ZINC001005526387	883931583	/nfs/dbraw/zinc/93/15/83/883931583.db2.gz	RJWANBKTXSWCFU-IEBWSBKVSA-N	1	0	358.486	1.927	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3cccc(C#N)c3)C2)C1	ZINC001034212824	883939660	/nfs/dbraw/zinc/93/96/60/883939660.db2.gz	NYJAHHXKSXTNAX-ATZDWAIDSA-N	1	0	368.481	1.944	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001128883408	883949383	/nfs/dbraw/zinc/94/93/83/883949383.db2.gz	LBEVBWPVUZWXBE-MOPGFXCFSA-N	1	0	369.469	1.803	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(OC)no2)[C@@H](n2ccnn2)C1	ZINC001128903258	884020604	/nfs/dbraw/zinc/02/06/04/884020604.db2.gz	LQMFTGKZFOYYJW-MCIONIFRSA-N	1	0	360.418	1.285	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2nccn2CC)[C@@H](n2ccnn2)C1	ZINC001128935081	884156643	/nfs/dbraw/zinc/15/66/43/884156643.db2.gz	MFDWNTHZHCKWDN-OAGGEKHMSA-N	1	0	357.462	1.505	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-c3ncon3)cc2)C[C@H]1C	ZINC001106890978	884241424	/nfs/dbraw/zinc/24/14/24/884241424.db2.gz	PZTONTOEXSBUAG-CRAIPNDOSA-N	1	0	368.437	1.684	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)cc1	ZINC001034398953	884297105	/nfs/dbraw/zinc/29/71/05/884297105.db2.gz	REFJPLXOIDZUPQ-OKZBNKHCSA-N	1	0	370.453	1.062	20	30		FDEDRO
C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001034435529	884365730	/nfs/dbraw/zinc/36/57/30/884365730.db2.gz	IUKAMCAITLIWCX-CMKODMSKSA-N	1	0	368.481	1.595	20	30		FDEDRO
C[NH+]1C[C@]2(C)CN(S(=O)(=O)Cc3ccc(F)cc3C#N)C[C@@]2(C)C1	ZINC000918360862	884369512	/nfs/dbraw/zinc/36/95/12/884369512.db2.gz	WFFBCBROIWQXOM-IAGOWNOFSA-N	1	0	351.447	1.801	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CC/C=C/CCC)C[C@@H]1n1ccnn1	ZINC001128961297	884484976	/nfs/dbraw/zinc/48/49/76/884484976.db2.gz	AWKOPGMGWSYLMJ-WZUKZFBGSA-N	1	0	361.490	1.693	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001128961857	884485988	/nfs/dbraw/zinc/48/59/88/884485988.db2.gz	JRXCJKIQJGCNMR-WSTZPKSXSA-N	1	0	369.469	1.455	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001128962256	884487100	/nfs/dbraw/zinc/48/71/00/884487100.db2.gz	RAIVLQYWKFWXDF-HBFSDRIKSA-N	1	0	369.469	1.455	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)Cc2ccn(C)n2)[C@@H](n2ccnn2)C1	ZINC001128980405	884572845	/nfs/dbraw/zinc/57/28/45/884572845.db2.gz	ZUCNBDSVMWZCSV-MSOLQXFVSA-N	1	0	371.489	1.342	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](C)[NH+]2CCCCC2)c1	ZINC000918704619	884833187	/nfs/dbraw/zinc/83/31/87/884833187.db2.gz	NOSOUIGDWZHPQR-HNNXBMFYSA-N	1	0	363.483	1.202	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1	ZINC000918756104	884913003	/nfs/dbraw/zinc/91/30/03/884913003.db2.gz	DPFHPKJQTFLGDM-HZPDHXFCSA-N	1	0	369.387	1.963	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncnn2CCF)CC1	ZINC001034736614	884931146	/nfs/dbraw/zinc/93/11/46/884931146.db2.gz	HGGYTMQMIYZDON-FPCVCCKLSA-N	1	0	365.453	1.356	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2nncn2C)CC1	ZINC001034753141	884963681	/nfs/dbraw/zinc/96/36/81/884963681.db2.gz	AETVPGFMXZDLMM-MTSZKFMLSA-N	1	0	361.490	1.874	20	30		FDEDRO
C[C@H](CNc1ccncc1C#N)NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1	ZINC001108154294	884983253	/nfs/dbraw/zinc/98/32/53/884983253.db2.gz	URNLDPKEMHAPDA-BJZITVGISA-N	1	0	371.485	1.039	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc(CC)ccn2)[C@@H](n2ccnn2)C1	ZINC001129009888	885054132	/nfs/dbraw/zinc/05/41/32/885054132.db2.gz	UWHMERVRLCMPSE-MSOLQXFVSA-N	1	0	354.458	1.857	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1n1ccnn1	ZINC001129014555	885123729	/nfs/dbraw/zinc/12/37/29/885123729.db2.gz	MSHFAQYDPWHFSP-NXHRZFHOSA-N	1	0	359.474	1.425	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1n1ccnn1	ZINC001129014806	885132102	/nfs/dbraw/zinc/13/21/02/885132102.db2.gz	SWQVOLUNVWRMIG-SJORKVTESA-N	1	0	361.490	1.649	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCc1ccc(CNCc2cnon2)cc1	ZINC001034818152	885152226	/nfs/dbraw/zinc/15/22/26/885152226.db2.gz	BMHLDFNUEMGSLA-MSOLQXFVSA-N	1	0	356.426	1.957	20	30		FDEDRO
Cn1ccc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000498536008	885203398	/nfs/dbraw/zinc/20/33/98/885203398.db2.gz	WFOTWBVMOPZYFO-UHFFFAOYSA-N	1	0	352.442	1.709	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1n1ccnn1	ZINC001129019835	885245842	/nfs/dbraw/zinc/24/58/42/885245842.db2.gz	AZSRCQCCDKHFSN-ZACQAIPSSA-N	1	0	361.490	1.649	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1n1ccnn1)OCC	ZINC001129030131	885344722	/nfs/dbraw/zinc/34/47/22/885344722.db2.gz	RLGKTDJXIYFIKL-FGTMMUONSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2(F)CCOCC2)[C@@H](n2ccnn2)C1	ZINC001129049005	885538125	/nfs/dbraw/zinc/53/81/25/885538125.db2.gz	NPFHSXRPOISLOK-XHSDSOJGSA-N	1	0	365.453	1.493	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cn(CC)nn2)C1	ZINC000999527020	912953031	/nfs/dbraw/zinc/95/30/31/912953031.db2.gz	RTHYCQYTDHZZOL-KXIUCKCTSA-N	1	0	361.490	1.748	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)CC(C)(C)C1	ZINC001089492584	885642077	/nfs/dbraw/zinc/64/20/77/885642077.db2.gz	KSAAHRAPSMJOLI-OAGGEKHMSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cnc3ccccn23)[C@@H](n2ccnn2)C1	ZINC001129084455	885709211	/nfs/dbraw/zinc/70/92/11/885709211.db2.gz	KPJAFAFBEUUEJS-WBVHZDCISA-N	1	0	365.441	1.547	20	30		FDEDRO
C#CC[N@@H+](CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)OC)C1CCCC1	ZINC000154980282	885722623	/nfs/dbraw/zinc/72/26/23/885722623.db2.gz	AWTCKBREAFHLFZ-LJQANCHMSA-N	1	0	354.450	1.991	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCc2ccncc2)[C@@H](n2ccnn2)C1	ZINC001129094093	885725388	/nfs/dbraw/zinc/72/53/88/885725388.db2.gz	ZILLEMNMFAMBLZ-MSOLQXFVSA-N	1	0	354.458	1.614	20	30		FDEDRO
C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)CC2	ZINC001035198028	885735856	/nfs/dbraw/zinc/73/58/56/885735856.db2.gz	AGQSPYULYRVGSH-KGLIPLIRSA-N	1	0	360.376	1.280	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2ccon2)[C@@H](n2ccnn2)C1	ZINC001129112688	885755571	/nfs/dbraw/zinc/75/55/71/885755571.db2.gz	IYZYZDHQOPSXKT-OIISXLGYSA-N	1	0	358.446	1.595	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CC(C)(C)CC(F)F)[C@@H](n2ccnn2)C1	ZINC001129113820	885757140	/nfs/dbraw/zinc/75/71/40/885757140.db2.gz	UKFRJEDRVPTDIO-KGLIPLIRSA-N	1	0	353.417	1.714	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCc3cnn(CC)c3)[C@H](C)C2)nc1	ZINC001106894659	885767544	/nfs/dbraw/zinc/76/75/44/885767544.db2.gz	RFVPBQXVFYMEHB-VQIMIIECSA-N	1	0	365.481	1.820	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)CCOCCNc2ncc(C#N)cc2F)CC[N@@H+]1C	ZINC001127504808	885883582	/nfs/dbraw/zinc/88/35/82/885883582.db2.gz	BYJWDRUVGIRQAA-UKRRQHHQSA-N	1	0	363.437	1.319	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)CC(C)(C)C1	ZINC001089513767	885889909	/nfs/dbraw/zinc/88/99/09/885889909.db2.gz	FJWLPFQMDPPZBT-VYDXJSESSA-N	1	0	351.491	1.450	20	30		FDEDRO
C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC001035419132	885990576	/nfs/dbraw/zinc/99/05/76/885990576.db2.gz	FYOAMTDPCRGZGY-MJBXVCDLSA-N	1	0	366.380	1.116	20	30		FDEDRO
C=CCCN1CCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1	ZINC001035516321	886107874	/nfs/dbraw/zinc/10/78/74/886107874.db2.gz	CZDBXTOVMHOJJW-ZCNNSNEGSA-N	1	0	357.498	1.725	20	30		FDEDRO
CC#CCN1CCO[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1	ZINC001035517386	886111490	/nfs/dbraw/zinc/11/14/90/886111490.db2.gz	SLGNYPYXRPCJJZ-AQNXPRMDSA-N	1	0	355.482	1.172	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC([C@H](C)Nc3ccnc(C#N)n3)CC2)CC[N@@H+]1C	ZINC001061890380	886228046	/nfs/dbraw/zinc/22/80/46/886228046.db2.gz	YWDAQOMXDABURF-BHYGNILZSA-N	1	0	370.501	1.539	20	30		FDEDRO
C=CCNc1ncc(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)s1	ZINC000676345616	886448297	/nfs/dbraw/zinc/44/82/97/886448297.db2.gz	VCSVOUMTPUOXPZ-OAHLLOKOSA-N	1	0	363.531	1.982	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](CC(=O)OC)c2ccc(OC)cc2)CC1	ZINC000919964635	886469862	/nfs/dbraw/zinc/46/98/62/886469862.db2.gz	VROXEBOCBUNRGS-SFHVURJKSA-N	1	0	358.438	1.761	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+](CCO)C2CCN(C(=O)[C@@H]3C[C@H]3CC)CC2)C1=O	ZINC001089572583	886478939	/nfs/dbraw/zinc/47/89/39/886478939.db2.gz	UFAODXBEJXYGCX-NXHRZFHOSA-N	1	0	363.502	1.105	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CN(Cc3cnc(C)nc3)C2)CC1	ZINC001035800659	886482569	/nfs/dbraw/zinc/48/25/69/886482569.db2.gz	JUBZLMFOKZPVPJ-MSOLQXFVSA-N	1	0	356.470	1.801	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1)C1CC[NH+](C)CC1	ZINC000920029210	886538637	/nfs/dbraw/zinc/53/86/37/886538637.db2.gz	FLVMOHVZXHYAGM-GDBMZVCRSA-N	1	0	355.504	1.081	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccn(C)c2C)[C@@H](n2ccnn2)C1	ZINC001129233420	886714314	/nfs/dbraw/zinc/71/43/14/886714314.db2.gz	OHZLGSBXYBIOQP-QGTPRVQTSA-N	1	0	356.474	1.935	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1n1ccnn1	ZINC001129239689	886751319	/nfs/dbraw/zinc/75/13/19/886751319.db2.gz	WDFITTYLHUYVIK-ZIFCJYIRSA-N	1	0	361.490	1.791	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCc1cccc2c1CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2	ZINC001061947616	886772235	/nfs/dbraw/zinc/77/22/35/886772235.db2.gz	USICLACBKOYPFS-HDMKZQKVSA-N	1	0	368.481	1.687	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ccccc1C#N)C2	ZINC000920282273	886820301	/nfs/dbraw/zinc/82/03/01/886820301.db2.gz	MBKMUBAZDNIFLU-XYVMCAHJSA-N	1	0	363.483	1.316	20	30		FDEDRO
CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)CC(C)(C)C#N)C2)[C@@H]1C(C)C	ZINC000920303985	886849425	/nfs/dbraw/zinc/84/94/25/886849425.db2.gz	VQARWEGEPLMIEU-PNBKFKSVSA-N	1	0	357.520	1.325	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCCN1C(=O)CCC[NH+](C)C	ZINC001062329676	887057085	/nfs/dbraw/zinc/05/70/85/887057085.db2.gz	CXPUXDXVURZDOP-AOIWGVFYSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)C(C)(C)[N@@H+](C)CC	ZINC001062353993	887071837	/nfs/dbraw/zinc/07/18/37/887071837.db2.gz	LXITXPGLXHESTH-ZACQAIPSSA-N	1	0	365.518	1.805	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2C[C@@H](C)N(c3ccccc3)C2=O)CC1	ZINC000920616408	887096207	/nfs/dbraw/zinc/09/62/07/887096207.db2.gz	SJACGJSSOCKSRK-QAPCUYQASA-N	1	0	354.454	1.577	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](C[C@H](O)c2ccc(F)cc2)C1	ZINC001031680867	887358878	/nfs/dbraw/zinc/35/88/78/887358878.db2.gz	UJXYURNQMPPWJD-QYZOEREBSA-N	1	0	362.445	1.888	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC2(CCOCC2)C1	ZINC001089943702	913144041	/nfs/dbraw/zinc/14/40/41/913144041.db2.gz	SWSXKHPIZPGJGA-GVDBMIGSSA-N	1	0	356.470	1.524	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCC2CN(Cc3ccc(C#N)cc3F)C2)CC[N@@H+]1C	ZINC001031683884	887447994	/nfs/dbraw/zinc/44/79/94/887447994.db2.gz	BAKZBCSCYHENGH-PKOBYXMFSA-N	1	0	358.461	1.976	20	30		FDEDRO
C[NH+]1CCC(n2ccc(NC(=O)NCc3cc(C#N)ccc3F)n2)CC1	ZINC000376036494	887613167	/nfs/dbraw/zinc/61/31/67/887613167.db2.gz	YLCXKJNSTQVWNV-UHFFFAOYSA-N	1	0	356.405	2.482	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1	ZINC000373291570	887619529	/nfs/dbraw/zinc/61/95/29/887619529.db2.gz	FGZQEXREAVMTDI-AWEZNQCLSA-N	1	0	353.426	2.427	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3c(c2)NC(=O)CS3)c1C#N	ZINC000518355846	887809955	/nfs/dbraw/zinc/80/99/55/887809955.db2.gz	SILZXBJERKTARE-UHFFFAOYSA-N	1	0	370.438	1.730	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)C[C@H]1OC	ZINC001212262141	888147343	/nfs/dbraw/zinc/14/73/43/888147343.db2.gz	DLZOBMKPMXBCFT-WOJBJXKFSA-N	1	0	367.449	1.590	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](CCc2ccccc2CC)C[C@H]1OC	ZINC001212262321	888158035	/nfs/dbraw/zinc/15/80/35/888158035.db2.gz	LGJCCCKJJDCYJV-WOJBJXKFSA-N	1	0	358.482	1.647	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](C(C)C)[NH+](C)C)c1	ZINC001005972004	888299117	/nfs/dbraw/zinc/29/91/17/888299117.db2.gz	LZNHWWRWKZHLGR-AKHDSKFASA-N	1	0	368.481	1.511	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(Cl)no2)C[C@H]1C	ZINC001106905629	888767274	/nfs/dbraw/zinc/76/72/74/888767274.db2.gz	ZPEJPZHHOXUQOL-IJLUTSLNSA-N	1	0	354.838	1.316	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000938592476	888871018	/nfs/dbraw/zinc/87/10/18/888871018.db2.gz	ZXINTYNXIKYQOI-GBESFXJTSA-N	1	0	357.498	1.437	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CCCc3ccsc3)C[C@@H]2O)c1	ZINC001083764840	888904021	/nfs/dbraw/zinc/90/40/21/888904021.db2.gz	ACVNXWQEHRYEPX-MSOLQXFVSA-N	1	0	355.463	1.532	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCCc3ccc(C)cc3)C[C@@H]2O)c1	ZINC001083765032	888908305	/nfs/dbraw/zinc/90/83/05/888908305.db2.gz	KDRPJVCLVSBAMX-RTWAWAEBSA-N	1	0	363.461	1.779	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)CN2CC[NH2+]C[C@H]2C(F)F)c(OC)c1	ZINC000923351698	888986242	/nfs/dbraw/zinc/98/62/42/888986242.db2.gz	AHZGWQNDZIIKAV-CABCVRRESA-N	1	0	356.413	1.702	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)CN2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)cc1	ZINC000923377161	889049642	/nfs/dbraw/zinc/04/96/42/889049642.db2.gz	GIVMCGAMRILEOF-ZAAXVRCTSA-N	1	0	355.413	1.864	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCO[C@H]1c1cnn(CC)c1)C1CC[NH+](C)CC1	ZINC000923380285	889057416	/nfs/dbraw/zinc/05/74/16/889057416.db2.gz	FYPJODPLEIRXNZ-MSOLQXFVSA-N	1	0	359.474	1.472	20	30		FDEDRO
COc1ccc([C@@H]2C[NH2+]CCN2C[C@@H](O)COc2ccc(C#N)cc2)cc1	ZINC000923423955	889201054	/nfs/dbraw/zinc/20/10/54/889201054.db2.gz	TWVCSPDUCCSKGU-NQIIRXRSSA-N	1	0	367.449	1.953	20	30		FDEDRO
Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[NH+](C2CCC2)CC1	ZINC000282544693	889281756	/nfs/dbraw/zinc/28/17/56/889281756.db2.gz	SQXHASQWQKZOQN-UHFFFAOYSA-N	1	0	352.442	1.940	20	30		FDEDRO
C[C@@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@@H]1CCC[NH2+]C1	ZINC000415469678	889571727	/nfs/dbraw/zinc/57/17/27/889571727.db2.gz	XRFUVHYESPPLKU-TZMCWYRMSA-N	1	0	356.405	2.393	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC[NH+]([C@@H](C)C(=O)N(C)C)CC1	ZINC001006123994	889578389	/nfs/dbraw/zinc/57/83/89/889578389.db2.gz	QZXNGQJNYQLOBK-XIRDDKMYSA-N	1	0	351.491	1.367	20	30		FDEDRO
CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1(C)C	ZINC000246195379	889599181	/nfs/dbraw/zinc/59/91/81/889599181.db2.gz	XJNMXJHKARWFEY-FGTMMUONSA-N	1	0	364.534	1.814	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3ccco3)C2)CC1	ZINC000938945053	889645278	/nfs/dbraw/zinc/64/52/78/889645278.db2.gz	FOAWRJIDMDVOIE-RCCFBDPRSA-N	1	0	369.465	1.445	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC000938968329	889721765	/nfs/dbraw/zinc/72/17/65/889721765.db2.gz	FYAYYVFTPFXBFZ-DJIMGWMZSA-N	1	0	354.454	1.076	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]Cc1cccc(S(C)(=O)=O)c1	ZINC001127608675	889723770	/nfs/dbraw/zinc/72/37/70/889723770.db2.gz	CGAMMIMBZHJUIH-SJORKVTESA-N	1	0	366.483	1.277	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)Cc1ccc(F)cc1	ZINC001127609232	889738952	/nfs/dbraw/zinc/73/89/52/889738952.db2.gz	QUNGJLSIQMUXFZ-KURKYZTESA-N	1	0	350.434	1.416	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1	ZINC000938999717	889776341	/nfs/dbraw/zinc/77/63/41/889776341.db2.gz	WLQSENUZKRHKHP-BBWFWOEESA-N	1	0	363.502	1.511	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1O	ZINC001084091973	913383305	/nfs/dbraw/zinc/38/33/05/913383305.db2.gz	ZKMNFPSLQFUAPK-QRVBRYPASA-N	1	0	356.470	1.094	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)C1CN(C(=O)C[NH+]2CCCC2)C1	ZINC001006149393	889823253	/nfs/dbraw/zinc/82/32/53/889823253.db2.gz	USYQWMQVLATJHB-IEZWGBDMSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1cccc(C)c1C	ZINC001127612695	889901632	/nfs/dbraw/zinc/90/16/32/889901632.db2.gz	ADXQKSZRNSTJIO-AEFFLSMTSA-N	1	0	359.470	1.929	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc(Cn3cccn3)o2)[C@H](OC)C1	ZINC001212311439	890024850	/nfs/dbraw/zinc/02/48/50/890024850.db2.gz	NCLHFLMACQHROA-SJLPKXTDSA-N	1	0	358.442	1.920	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CNC(=O)c2ccoc2C)[C@H](OC)C1	ZINC001212311540	890026961	/nfs/dbraw/zinc/02/69/61/890026961.db2.gz	RJEXKJIJFOTMRV-KBRIMQKVSA-N	1	0	363.458	1.488	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)[C@@H](n2ccnn2)C1	ZINC001129284804	890037167	/nfs/dbraw/zinc/03/71/67/890037167.db2.gz	YJKFFTLFIJSCAG-VQHPVUNQSA-N	1	0	371.441	1.219	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CCN(c3nccnc3C#N)C2)CC[N@@H+]1C	ZINC001063147819	890247388	/nfs/dbraw/zinc/24/73/88/890247388.db2.gz	JKIYGYIJZLYCRV-HLLBOEOZSA-N	1	0	356.474	1.506	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CCN(c3cnc(C#N)cn3)C2)CC[N@@H+]1C	ZINC001063147888	890247842	/nfs/dbraw/zinc/24/78/42/890247842.db2.gz	KJNVKYMSYHBZBZ-IXDOHACOSA-N	1	0	356.474	1.506	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3C3CCC3)CCC2)CC1	ZINC001063202938	890291563	/nfs/dbraw/zinc/29/15/63/890291563.db2.gz	PZFUZYMYNBALLH-RBUKOAKNSA-N	1	0	371.525	1.923	20	30		FDEDRO
C=CCO[C@H](C)C(=O)NC1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCC1	ZINC001063228677	890355995	/nfs/dbraw/zinc/35/59/95/890355995.db2.gz	FAEIWOSZYAWSTA-OWCLPIDISA-N	1	0	351.491	1.463	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC001006177948	890472352	/nfs/dbraw/zinc/47/23/52/890472352.db2.gz	YSBKLUFIRGCADB-ISTRZQFTSA-N	1	0	357.458	1.193	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](Nc3ccnc(C#N)n3)CC2)CC[N@@H+]1C	ZINC001063408816	890522299	/nfs/dbraw/zinc/52/22/99/890522299.db2.gz	UAWHKLSFQBSRPY-YHUYYLMFSA-N	1	0	356.474	1.340	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC([C@@H](C)NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)c1	ZINC001006181516	890545880	/nfs/dbraw/zinc/54/58/80/890545880.db2.gz	FICPRGSHBZKDHE-MDASCCDHSA-N	1	0	368.481	1.370	20	30		FDEDRO
N#Cc1cc(C[NH+]2CCC(CNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)ccc1F	ZINC001001838730	891401382	/nfs/dbraw/zinc/40/13/82/891401382.db2.gz	CPFFUUJYVQAHHW-CVEARBPZSA-N	1	0	358.417	1.147	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)C3(C)CC=CC3)C2)CC1	ZINC000939899425	891451205	/nfs/dbraw/zinc/45/12/05/891451205.db2.gz	BCKNIBLRLCJTPP-SJLPKXTDSA-N	1	0	357.498	1.651	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CC[NH+](CC(=O)N2CCC2)CC1	ZINC001001935185	891689459	/nfs/dbraw/zinc/68/94/59/891689459.db2.gz	VWRRCJGNZCWDNJ-HKUYNNGSSA-N	1	0	363.502	1.418	20	30		FDEDRO
C#CCOc1ccc(C(=O)NCC2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC001001963167	891715527	/nfs/dbraw/zinc/71/55/27/891715527.db2.gz	HJVOKHZOEPYQJS-DNVCBOLYSA-N	1	0	369.465	1.227	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnc(C3CC3)nc1)C2	ZINC001112541214	891896274	/nfs/dbraw/zinc/89/62/74/891896274.db2.gz	LYKCBXPGZNZJDY-RXVVDRJESA-N	1	0	368.481	1.836	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccnc(-c3ccco3)c2)[C@H](OC)C1	ZINC001212444162	891931493	/nfs/dbraw/zinc/93/14/93/891931493.db2.gz	GLYNQYPNJJAOQL-IEBWSBKVSA-N	1	0	371.437	1.973	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1	ZINC001002195668	892205624	/nfs/dbraw/zinc/20/56/24/892205624.db2.gz	OAJKRWBLRMMVLB-KSZLIROESA-N	1	0	363.502	1.415	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001002245504	892318915	/nfs/dbraw/zinc/31/89/15/892318915.db2.gz	GNWITFFGTUYSBT-NVXWUHKLSA-N	1	0	371.481	1.780	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C	ZINC000940382931	892398114	/nfs/dbraw/zinc/39/81/14/892398114.db2.gz	AKAPLEHTYYLRMG-PILAGYSTSA-N	1	0	368.437	1.502	20	30		FDEDRO
CC(=O)N1CC[C@@H](C(=O)N2C[C@@H](C[NH2+]CC#Cc3ccccc3)[C@H](C)C2)C1	ZINC001106927816	892982228	/nfs/dbraw/zinc/98/22/28/892982228.db2.gz	HMOGFGNBEJTWJJ-DUXKGJEZSA-N	1	0	367.493	1.591	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3ncnn3C)[C@H](C)C2)CCOCC1	ZINC001106932083	893023177	/nfs/dbraw/zinc/02/31/77/893023177.db2.gz	RUWOWGJSQPMLPY-HZPDHXFCSA-N	1	0	361.490	1.372	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2CCC(C(F)F)CC2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106937339	893077338	/nfs/dbraw/zinc/07/73/38/893077338.db2.gz	UQQYURZUSLAKBI-XSCHDIRWSA-N	1	0	370.444	1.382	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCOCC3(CCCC3)C2)CC1	ZINC000672356251	893171901	/nfs/dbraw/zinc/17/19/01/893171901.db2.gz	JBXSVUPLXGTKOU-UHFFFAOYSA-N	1	0	363.502	1.562	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1	ZINC000940880722	893389987	/nfs/dbraw/zinc/38/99/87/893389987.db2.gz	VMADLAZVLCIADF-RYQLBKOJSA-N	1	0	354.454	1.353	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(C#N)c[nH]1	ZINC001002635010	893428265	/nfs/dbraw/zinc/42/82/65/893428265.db2.gz	WSUJDUIPGAPOMJ-XYVMCAHJSA-N	1	0	369.469	1.621	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cn3c(n2)CC[C@@H](C)C3)[C@H](OC)C1	ZINC001212455648	893573514	/nfs/dbraw/zinc/57/35/14/893573514.db2.gz	SYAFQHSFNKXEOJ-BFYDXBDKSA-N	1	0	362.474	1.097	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCC2(C#N)CCOCC2)CCN1c1nccn2cnnc12	ZINC000499564288	893988821	/nfs/dbraw/zinc/98/88/21/893988821.db2.gz	PDJOOCODFAVJNC-MRXNPFEDSA-N	1	0	369.473	1.735	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc3ncsc3c2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106950337	894000650	/nfs/dbraw/zinc/00/06/50/894000650.db2.gz	BUOYCYHCUMZCFW-TZMCWYRMSA-N	1	0	371.466	1.234	20	30		FDEDRO
N#Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](C[C@H](O)c4ccc(F)cc4)C[C@H]32)c[nH]1	ZINC001084294273	913844609	/nfs/dbraw/zinc/84/46/09/913844609.db2.gz	HOXGZSUWKFIBIW-ZMYBRWDISA-N	1	0	368.412	1.905	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)CCc1ccc(OC)cc1	ZINC000922024044	894432517	/nfs/dbraw/zinc/43/25/17/894432517.db2.gz	ZWKDODNMLCQHJB-UHFFFAOYSA-N	1	0	350.484	1.597	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cn(CC2CC2)c(CC)n1	ZINC000922023946	894435261	/nfs/dbraw/zinc/43/52/61/894435261.db2.gz	DUZXWTFXRKZZBJ-UHFFFAOYSA-N	1	0	364.515	1.574	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(F)c(OC)c(F)c1	ZINC000922025844	894536673	/nfs/dbraw/zinc/53/66/73/894536673.db2.gz	PBSMIAYGFVTNJE-UHFFFAOYSA-N	1	0	358.410	1.692	20	30		FDEDRO
C=CCN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3CCCO[C@H]3C=C)CC2)C1=O	ZINC001002849138	894595961	/nfs/dbraw/zinc/59/59/61/894595961.db2.gz	PVXWUNMEGSKSNL-SQNIBIBYSA-N	1	0	361.486	1.335	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(C2C[NH+](C[C@H](CC)OC)C2)CC1	ZINC000941412500	894935644	/nfs/dbraw/zinc/93/56/44/894935644.db2.gz	HZNKHVHWPBVQOA-OTWHNJEPSA-N	1	0	365.518	1.221	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@H]1C	ZINC001106962397	895983736	/nfs/dbraw/zinc/98/37/36/895983736.db2.gz	IXCYNBVTRQQDNX-HUUCEWRRSA-N	1	0	361.490	1.844	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1	ZINC000671100235	896564865	/nfs/dbraw/zinc/56/48/65/896564865.db2.gz	JULMFOORXOPBAR-ROUUACIJSA-N	1	0	371.481	1.953	20	30		FDEDRO
C=CCN1C[C@@H](NC(=O)CC[C@@H]2CC[C@H](C(F)(F)F)O2)[C@H](OC)C1	ZINC001212425839	896697540	/nfs/dbraw/zinc/69/75/40/896697540.db2.gz	HBMROAUWSWOMCT-REWJHTLYSA-N	1	0	350.381	1.878	20	30		FDEDRO
CC#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC2(CCOCC2)C1	ZINC001089947357	896806762	/nfs/dbraw/zinc/80/67/62/896806762.db2.gz	CZRDLEIQOSOTJJ-ZSYWTGECSA-N	1	0	360.498	1.812	20	30		FDEDRO
CC#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC2(CCOCC2)C1	ZINC001089947396	896809166	/nfs/dbraw/zinc/80/91/66/896809166.db2.gz	FEAXIALPKXWEDA-QKDSSNGWSA-N	1	0	358.482	1.420	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC2(CCOCC2)C1	ZINC001089948251	896828505	/nfs/dbraw/zinc/82/85/05/896828505.db2.gz	VJKASHWTPMYAAS-WXJALIKYSA-N	1	0	360.498	1.973	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106969275	896886327	/nfs/dbraw/zinc/88/63/27/896886327.db2.gz	SPCBSNOHJSKYBW-UYAOXDASSA-N	1	0	363.461	1.584	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(CC(C)C)cc2)C[C@H]1C	ZINC001106969403	896910920	/nfs/dbraw/zinc/91/09/20/896910920.db2.gz	XNMDSBOOTDNPNH-YLJYHZDGSA-N	1	0	369.509	1.932	20	30		FDEDRO
C=CC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@H]3OCC[C@H]3CC)C2)n1	ZINC001128106695	896960839	/nfs/dbraw/zinc/96/08/39/896960839.db2.gz	CNIVAQNIVJNUNY-SUMDDJOVSA-N	1	0	358.486	1.867	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CNC(=O)c2ccccc2F)C[C@H]1C	ZINC001106977018	897313041	/nfs/dbraw/zinc/31/30/41/897313041.db2.gz	AUIQKUHIJKWXQN-TZMCWYRMSA-N	1	0	367.852	1.992	20	30		FDEDRO
CC#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)CC2(CCOCC2)C1	ZINC001089959883	897327115	/nfs/dbraw/zinc/32/71/15/897327115.db2.gz	TVCIKVKUMFLKLI-KZNAEPCWSA-N	1	0	370.497	1.534	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC3CCC(F)(F)CC3)C[C@H]2O)nc1	ZINC001078029984	897665206	/nfs/dbraw/zinc/66/52/06/897665206.db2.gz	BKSWEBQWXBUGQL-IAGOWNOFSA-N	1	0	363.408	1.663	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCc3ccsc3)C[C@H]2O)nc1	ZINC001078030148	897665444	/nfs/dbraw/zinc/66/54/44/897665444.db2.gz	KJTSRRWJIQCYKN-QZTJIDSGSA-N	1	0	355.463	1.532	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCC(F)(F)C3)C[C@H]2O)cn1	ZINC001078032340	897676098	/nfs/dbraw/zinc/67/60/98/897676098.db2.gz	JFRPUEADWPAWIR-KBRIMQKVSA-N	1	0	363.408	1.663	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCCc3ccccc3C)C[C@H]2O)cn1	ZINC001078033476	897685050	/nfs/dbraw/zinc/68/50/50/897685050.db2.gz	LRLXWMIALFPZDQ-NHCUHLMSSA-N	1	0	363.461	1.779	20	30		FDEDRO
CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000942752700	897737209	/nfs/dbraw/zinc/73/72/09/897737209.db2.gz	VEMTXNFRDSMTLH-XOKHGSTOSA-N	1	0	357.458	1.290	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cnns2)C1	ZINC001078402448	898733789	/nfs/dbraw/zinc/73/37/89/898733789.db2.gz	NTLGALYFSOMTSI-IMJJTQAJSA-N	1	0	366.487	1.226	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2ccnn2C)C1	ZINC001078402326	898734193	/nfs/dbraw/zinc/73/41/93/898734193.db2.gz	LBSJTNOAHRKQEH-KURKYZTESA-N	1	0	362.474	1.108	20	30		FDEDRO
N#Cc1cccc(C[NH2+]C[C@H]2CN(C(=O)[C@]34C[C@H]3COC4)CCCO2)c1	ZINC001078403594	898737503	/nfs/dbraw/zinc/73/75/03/898737503.db2.gz	CPZPFKHPIKNJPM-BJLQDIEVSA-N	1	0	355.438	1.302	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC2CCOCC2)C1	ZINC001078484837	898837599	/nfs/dbraw/zinc/83/75/99/898837599.db2.gz	UACOGWORXHACEO-FHWLQOOXSA-N	1	0	366.502	1.601	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2nccs2)C[C@H]1C	ZINC001106999487	898857342	/nfs/dbraw/zinc/85/73/42/898857342.db2.gz	XRKPIEJUSOJYNQ-QLFBSQMISA-N	1	0	364.515	1.451	20	30		FDEDRO
C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)CC1	ZINC001001490556	899002585	/nfs/dbraw/zinc/00/25/85/899002585.db2.gz	ADCSLUNIGYLPLE-QZTJIDSGSA-N	1	0	358.486	1.739	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccn(CC(F)F)n2)[C@H](OC)C1	ZINC001212441007	899028460	/nfs/dbraw/zinc/02/84/60/899028460.db2.gz	XBOVOBJGHROPID-NWANDNLSSA-N	1	0	356.417	1.932	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)CCOC)C[C@H]1C	ZINC001107006416	899308300	/nfs/dbraw/zinc/30/83/00/899308300.db2.gz	LPQDNCKJGZGZFJ-KZNAEPCWSA-N	1	0	365.518	1.544	20	30		FDEDRO
C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1	ZINC001001827162	899469266	/nfs/dbraw/zinc/46/92/66/899469266.db2.gz	DBRPLAHQVCKREN-ZWKOTPCHSA-N	1	0	363.502	1.561	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)C[C@H]1C	ZINC001107009415	899512547	/nfs/dbraw/zinc/51/25/47/899512547.db2.gz	RQTBSXKPKTWZFT-QFUCXCTJSA-N	1	0	370.493	1.941	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn(C)nn1	ZINC001107017028	899553719	/nfs/dbraw/zinc/55/37/19/899553719.db2.gz	LUHJBRKSDUXWMY-SJLPKXTDSA-N	1	0	351.454	1.441	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C	ZINC001107018509	899557365	/nfs/dbraw/zinc/55/73/65/899557365.db2.gz	KXVRIURZSOHMPL-IEBWSBKVSA-N	1	0	353.466	1.415	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C)nc2C)C[C@H]1C	ZINC001107020011	899594347	/nfs/dbraw/zinc/59/43/47/899594347.db2.gz	ABHLUZJBUXUGMJ-XOKHGSTOSA-N	1	0	356.470	1.134	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCn2cccc2)C[C@H]1C	ZINC001107021893	899602138	/nfs/dbraw/zinc/60/21/38/899602138.db2.gz	CINMZLRLNBCVFL-KZNAEPCWSA-N	1	0	358.486	1.090	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)CCC)C[C@H]1C	ZINC001107022202	899605004	/nfs/dbraw/zinc/60/50/04/899605004.db2.gz	JPJQDKUOWJKDIZ-KURKYZTESA-N	1	0	365.518	1.664	20	30		FDEDRO
CNC(=O)NC(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1	ZINC001107033322	899778776	/nfs/dbraw/zinc/77/87/76/899778776.db2.gz	NVZZMARIRXBUAJ-RHSMWYFYSA-N	1	0	371.485	1.450	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C	ZINC000944104473	899861882	/nfs/dbraw/zinc/86/18/82/899861882.db2.gz	IBKQSKNIGUWUJI-VQHPVUNQSA-N	1	0	351.491	1.415	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCN2C(=O)C[C@@H]2C[C@H]2C2CC2)CC1	ZINC000944189583	899962275	/nfs/dbraw/zinc/96/22/75/899962275.db2.gz	YOXCKZNLCDGILS-ZCNNSNEGSA-N	1	0	371.525	1.875	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@H](CC)OC)[C@H](C)C1	ZINC001107036496	899997388	/nfs/dbraw/zinc/99/73/88/899997388.db2.gz	MLGBBHUWFREZRM-OAGGEKHMSA-N	1	0	368.522	1.359	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1C	ZINC001107048800	900078027	/nfs/dbraw/zinc/07/80/27/900078027.db2.gz	QRMKZFFNHWPVPG-HZPDHXFCSA-N	1	0	350.507	1.992	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2n[nH]nc2-c2ccccc2)C[C@H]1C	ZINC001107044738	900090168	/nfs/dbraw/zinc/09/01/68/900090168.db2.gz	OCGYFMIUWMHRIU-NVXWUHKLSA-N	1	0	369.469	1.972	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@]2(C)CCc3ccccc32)C[C@H]1C	ZINC001107058399	900282065	/nfs/dbraw/zinc/28/20/65/900282065.db2.gz	HOSCJPBJOBMOFR-CDMIOBSGSA-N	1	0	369.509	1.877	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCCC2)[C@H](C)C1	ZINC001107058892	900285719	/nfs/dbraw/zinc/28/57/19/900285719.db2.gz	GHTLPRCAUASFKK-IAGOWNOFSA-N	1	0	351.491	1.276	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)(C)CC)[C@H](C)C1	ZINC001107059138	900311326	/nfs/dbraw/zinc/31/13/26/900311326.db2.gz	UQOOUDWWDWIKLX-HZPDHXFCSA-N	1	0	353.507	1.568	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccccc2)[C@H](C)C1	ZINC001107062539	900372750	/nfs/dbraw/zinc/37/27/50/900372750.db2.gz	MLNGTVGDISYJNT-BRWVUGGUSA-N	1	0	359.470	1.900	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc3nonc3c2)[C@H](C)C1	ZINC001107063163	900448165	/nfs/dbraw/zinc/44/81/65/900448165.db2.gz	DJNVKHMDEAJKQI-IJEWVQPXSA-N	1	0	358.442	1.998	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2csc(C3CC3)n2)C[C@H]1C	ZINC001107072566	900507032	/nfs/dbraw/zinc/50/70/32/900507032.db2.gz	VIVPOBDHIBZEEF-TZMCWYRMSA-N	1	0	360.483	1.068	20	30		FDEDRO
CCN(C)c1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)cc1	ZINC001107074496	900525702	/nfs/dbraw/zinc/52/57/02/900525702.db2.gz	AAZCQLHFYAAHKJ-NVXWUHKLSA-N	1	0	371.485	1.080	20	30		FDEDRO
C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O	ZINC001077582171	900583373	/nfs/dbraw/zinc/58/33/73/900583373.db2.gz	CWAGNMUOSRXMEL-RTBURBONSA-N	1	0	367.449	1.168	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CC(F)(F)C(F)(F)F)C[C@H]1C	ZINC001107097565	900916456	/nfs/dbraw/zinc/91/64/56/900916456.db2.gz	RXODXFJJXPAXKL-VXGBXAGGSA-N	1	0	356.335	1.908	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)c2ccc(C#N)[nH]2)CC3)CC[N@@H+]1C	ZINC000944914617	901029843	/nfs/dbraw/zinc/02/98/43/901029843.db2.gz	IXVFUVGNTHGBDI-GDBMZVCRSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCCCO2)[C@@H](n2ccnn2)C1	ZINC001129307908	901102889	/nfs/dbraw/zinc/10/28/89/901102889.db2.gz	TYEGJUIWAKOIGT-KSZLIROESA-N	1	0	361.490	1.935	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1(CNC(=O)[C@H](CC)[NH+](C)C)CCC1	ZINC001063738159	901107731	/nfs/dbraw/zinc/10/77/31/901107731.db2.gz	HJSXYFQHOJKBNL-PMPSAXMXSA-N	1	0	351.491	1.463	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CCNc2cncc(C#N)n2)CC[N@@H+]1C	ZINC001063853475	901169876	/nfs/dbraw/zinc/16/98/76/901169876.db2.gz	QIGVIXHZUZEFOC-DJIMGWMZSA-N	1	0	356.474	1.872	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(C[C@@H](c2ccccc2OC)[NH+]2CCCC2)C1=O	ZINC000348492246	901318935	/nfs/dbraw/zinc/31/89/35/901318935.db2.gz	YOTAXDMBPGHIEJ-IRXDYDNUSA-N	1	0	373.453	1.955	20	30		FDEDRO
O=C(N[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@@H]1O)[C@H]1CC12CCCC2	ZINC001083921842	901719640	/nfs/dbraw/zinc/71/96/40/901719640.db2.gz	XFHHIHNWWNQLPM-QRVBRYPASA-N	1	0	356.441	1.919	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC2(C)CCN(c3ccc(C#N)nn3)CC2)CC[N@@H+]1C	ZINC001065115929	901858469	/nfs/dbraw/zinc/85/84/69/901858469.db2.gz	VPDSVGQNRQBMBB-JKSUJKDBSA-N	1	0	356.474	1.554	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1CCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001065161412	901891312	/nfs/dbraw/zinc/89/13/12/901891312.db2.gz	OYXUQFTVRNYUPS-IXDOHACOSA-N	1	0	365.518	1.663	20	30		FDEDRO
C[NH+]=C(NCC(=O)Nc1ccc(F)c(F)c1F)N[C@@H]1CCN(C2CC2)C1	ZINC000083166964	901916409	/nfs/dbraw/zinc/91/64/09/901916409.db2.gz	RZJOZCMGDWWGLB-SNVBAGLBSA-N	1	0	369.391	1.444	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnn(C)c2)C1	ZINC001079127597	901929833	/nfs/dbraw/zinc/92/98/33/901929833.db2.gz	WEDQMDKFKXSSGS-RTBURBONSA-N	1	0	352.438	1.131	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnsn2)C1	ZINC001079127953	901931371	/nfs/dbraw/zinc/93/13/71/901931371.db2.gz	BIIYXISUCMVIHY-IAGOWNOFSA-N	1	0	356.451	1.249	20	30		FDEDRO
C#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cc(C)[nH]c2C)C1	ZINC001079142688	901950441	/nfs/dbraw/zinc/95/04/41/901950441.db2.gz	OZAAKKDCISEDIM-WOJBJXKFSA-N	1	0	351.450	1.952	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CN(C(=O)C#CC2CC2)CC[C@H]1c1ccc(F)cc1)C(N)=O	ZINC001079152299	901987414	/nfs/dbraw/zinc/98/74/14/901987414.db2.gz	FLBRZDRRXDHCEN-JEBQAFNWSA-N	1	0	357.429	1.387	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@H]4CCNC4=O)[C@@H]3C2)c1	ZINC001084401454	914586143	/nfs/dbraw/zinc/58/61/43/914586143.db2.gz	FOLQZXQYKSXVKK-KZNAEPCWSA-N	1	0	352.438	1.117	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnc(C)n2C)C1	ZINC001079141387	902031517	/nfs/dbraw/zinc/03/15/17/902031517.db2.gz	CBTQEWYKWMQPKX-WOJBJXKFSA-N	1	0	368.481	1.992	20	30		FDEDRO
C[C@H](C#N)C(=O)NCCCCC[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C)O2)CC1	ZINC001079166167	902035115	/nfs/dbraw/zinc/03/51/15/902035115.db2.gz	WWFYFUVXKQCRQC-BRWVUGGUSA-N	1	0	364.490	1.144	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)CC[C@H]1c1ccc(F)cc1	ZINC001079154510	902068884	/nfs/dbraw/zinc/06/88/84/902068884.db2.gz	HFWPDUBXZADGIS-BPQIPLTHSA-N	1	0	357.429	1.259	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCNC(=O)CC2)CC[C@H]1c1ccc(F)cc1	ZINC001079155546	902071751	/nfs/dbraw/zinc/07/17/51/902071751.db2.gz	FXYARGHZVBXYSD-NZSAHSFTSA-N	1	0	371.456	1.649	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)CC[C@H]1c1ccc(F)cc1	ZINC001079160320	902083544	/nfs/dbraw/zinc/08/35/44/902083544.db2.gz	MZTCLABUFRXVAK-OKZBNKHCSA-N	1	0	359.445	1.955	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[NH+](CCCCCNC(=O)[C@@H]2C[C@H]2C2CC2)CC1	ZINC001079160926	902085113	/nfs/dbraw/zinc/08/51/13/902085113.db2.gz	PYMINKOPTPDCEG-VQTJNVASSA-N	1	0	371.525	1.877	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCCCCC[NH+]1CCN(C(=O)CC)CC1	ZINC001079160845	902085180	/nfs/dbraw/zinc/08/51/80/902085180.db2.gz	MAETXRIGQKEWSC-MSOLQXFVSA-N	1	0	365.518	1.808	20	30		FDEDRO
C=CCCC(=O)N1CC[NH+](CCCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001079161196	902085551	/nfs/dbraw/zinc/08/55/51/902085551.db2.gz	WYGZIBNCKLSZSW-HZPDHXFCSA-N	1	0	366.462	1.049	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(=O)Nc2cc(C)on2)C[C@H]1c1cccc(F)c1	ZINC001079209959	902118943	/nfs/dbraw/zinc/11/89/43/902118943.db2.gz	QFJGCRFWQQGNIG-JKSUJKDBSA-N	1	0	370.384	1.278	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1c1cccc(F)c1	ZINC001079187516	902135230	/nfs/dbraw/zinc/13/52/30/902135230.db2.gz	KLTWUXNDWDXNOQ-LSDHHAIUSA-N	1	0	367.852	1.974	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(=O)c(OC)c[nH]2)C[C@H]1c1cccc(F)c1	ZINC001079191280	902148087	/nfs/dbraw/zinc/14/80/87/902148087.db2.gz	GRCWMICFKHRHMU-DOTOQJQBSA-N	1	0	371.412	1.906	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)C[C@@](C)(O)C3CC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079235813	902175654	/nfs/dbraw/zinc/17/56/54/902175654.db2.gz	SGZSXJCWWYGLCO-NLWGTHIKSA-N	1	0	360.498	1.500	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CN(C(=O)c3ncn(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079239357	902185195	/nfs/dbraw/zinc/18/51/95/902185195.db2.gz	OPEKCQQOIFATDD-JKSUJKDBSA-N	1	0	359.474	1.334	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3cnnn3CC)[C@@H]3COC[C@@H]32)CC1	ZINC001079240760	902190087	/nfs/dbraw/zinc/19/00/87/902190087.db2.gz	BNTXDKILUAANJR-DOTOQJQBSA-N	1	0	359.474	1.427	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)Cc3nnc(C)[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079240777	902190179	/nfs/dbraw/zinc/19/01/79/902190179.db2.gz	CBCHVZHJDGTVKP-JKSUJKDBSA-N	1	0	359.474	1.171	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3ccc(C)nn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079240819	902190309	/nfs/dbraw/zinc/19/03/09/902190309.db2.gz	DXAMPTDVBBQHDE-FUHWJXTLSA-N	1	0	356.470	1.914	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)Cc3ccn(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079241457	902193458	/nfs/dbraw/zinc/19/34/58/902193458.db2.gz	YDGJOUOVUCDOSZ-ZWKOTPCHSA-N	1	0	358.486	1.478	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ccnn3C(C)C)[C@@H]3COC[C@@H]32)CC1	ZINC001079241839	902193884	/nfs/dbraw/zinc/19/38/84/902193884.db2.gz	FMHZRKLWASAIQW-FUHWJXTLSA-N	1	0	356.470	1.650	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3cc[n+]([O-])cc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079221143	902220602	/nfs/dbraw/zinc/22/06/02/902220602.db2.gz	OYTAGOWMKWKCRL-ZWKOTPCHSA-N	1	0	357.454	1.449	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)[C@@H](C)n3cccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079224947	902231811	/nfs/dbraw/zinc/23/18/11/902231811.db2.gz	NBSJIYVLKALDGS-FGTMMUONSA-N	1	0	356.470	1.407	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cc4n(n3)CCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079244746	902249187	/nfs/dbraw/zinc/24/91/87/902249187.db2.gz	CNIQCZVJGAMVPW-PKOBYXMFSA-N	1	0	368.481	1.406	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3cnc[nH]c3=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079247159	902259534	/nfs/dbraw/zinc/25/95/34/902259534.db2.gz	ODWFRKRLIXRNHS-JKSUJKDBSA-N	1	0	358.442	1.311	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cnn(C)c3Cl)[C@@H]3COC[C@@H]32)CC1	ZINC001079248398	902265154	/nfs/dbraw/zinc/26/51/54/902265154.db2.gz	XIAQVKMBNQYGSD-LSDHHAIUSA-N	1	0	362.861	1.260	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ncnc4[nH]ccc43)[C@@H]3COC[C@@H]32)CC1	ZINC001079249938	902267030	/nfs/dbraw/zinc/26/70/30/902267030.db2.gz	CFIKPPJLTUVKNJ-JKSUJKDBSA-N	1	0	365.437	1.096	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3occ4c3CCOC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079253721	902276971	/nfs/dbraw/zinc/27/69/71/902276971.db2.gz	DFAVVNBQMLTZGV-ZWKOTPCHSA-N	1	0	370.449	1.539	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079259448	902294495	/nfs/dbraw/zinc/29/44/95/902294495.db2.gz	AUSJCFATMXEOBV-LTIDMASMSA-N	1	0	361.486	1.013	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3cncn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079261973	902301911	/nfs/dbraw/zinc/30/19/11/902301911.db2.gz	TUWMDYZXGCEVQH-VXIBKDFQSA-N	1	0	368.481	1.096	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cc(C)nn3CC)[C@@H]3COC[C@@H]32)CC1	ZINC001079262993	902303741	/nfs/dbraw/zinc/30/37/41/902303741.db2.gz	HCLQQVIONKIYLR-PKOBYXMFSA-N	1	0	370.497	1.788	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ccnc(N(C)C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079262996	902304090	/nfs/dbraw/zinc/30/40/90/902304090.db2.gz	HFFFKSWDLWKSGV-ZWKOTPCHSA-N	1	0	368.481	1.334	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)Cn3cc(Cl)cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079263619	902306776	/nfs/dbraw/zinc/30/67/76/902306776.db2.gz	DBYKGXJOFZTZFL-JKSUJKDBSA-N	1	0	364.877	1.662	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)COC3CCOCC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079263667	902306900	/nfs/dbraw/zinc/30/69/00/902306900.db2.gz	GCKZHQNWIVAUSI-ZWKOTPCHSA-N	1	0	364.486	1.307	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cc(C)nc(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079265422	902311162	/nfs/dbraw/zinc/31/11/62/902311162.db2.gz	IUWHDPPCDGCYGS-PKOBYXMFSA-N	1	0	368.481	1.670	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)C[C@@H]3CCC(=O)N3)[C@@H]3COC[C@@H]32)CC1	ZINC001079265555	902312380	/nfs/dbraw/zinc/31/23/80/902312380.db2.gz	OOGINVIJJRNZFS-YESZJQIVSA-N	1	0	361.486	1.171	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)CCc3ncccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079266772	902315411	/nfs/dbraw/zinc/31/54/11/902315411.db2.gz	IGXNGMOZUXHNDI-ZWKOTPCHSA-N	1	0	370.497	1.925	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cnn4c3CCCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079269098	902323048	/nfs/dbraw/zinc/32/30/48/902323048.db2.gz	GGAIPLNQAZUSBB-PKOBYXMFSA-N	1	0	368.481	1.406	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3conc3COC)[C@@H]3COC[C@@H]32)CC1	ZINC001079270127	902327108	/nfs/dbraw/zinc/32/71/08/902327108.db2.gz	CDLDPAYTQCVRSQ-DOTOQJQBSA-N	1	0	361.442	1.560	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)Cc3c(C)n[nH]c3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079272331	902334804	/nfs/dbraw/zinc/33/48/04/902334804.db2.gz	JECNSELLMMETKP-RBUKOAKNSA-N	1	0	370.497	1.532	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3nc(C)c(C)s3)[C@@H]3COC[C@@H]32)CC1	ZINC001079273960	902337386	/nfs/dbraw/zinc/33/73/86/902337386.db2.gz	YJLZGXWJPVIKGT-JKSUJKDBSA-N	1	0	359.495	1.946	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@H](C)c3ccnn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079242991	902338635	/nfs/dbraw/zinc/33/86/35/902338635.db2.gz	FBNBDNMTZOIJKW-SOLBZPMBSA-N	1	0	356.470	1.096	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCCO3)C[C@H]1c1ccccc1F	ZINC001079302821	902353054	/nfs/dbraw/zinc/35/30/54/902353054.db2.gz	LUPXRCAWHPUBIO-MAUKXSAKSA-N	1	0	368.412	1.636	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(=O)N2CCC2)C1	ZINC001079286962	902382272	/nfs/dbraw/zinc/38/22/72/902382272.db2.gz	IBFHFZBFKQWWNZ-JLJPHGGASA-N	1	0	358.417	1.102	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]Cc2cnn(C)c2)C1	ZINC001079287233	902384155	/nfs/dbraw/zinc/38/41/55/902384155.db2.gz	UOWJKHANDPTEKO-QANKJYHBSA-N	1	0	355.417	1.803	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc3[nH]cnc3c2)C[C@H]1c1ccccc1F	ZINC001079296750	902402005	/nfs/dbraw/zinc/40/20/05/902402005.db2.gz	PKEJUOJYGGTCAZ-MAUKXSAKSA-N	1	0	363.396	1.928	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@H]1c1ccccc1F	ZINC001079316949	902413177	/nfs/dbraw/zinc/41/31/77/902413177.db2.gz	GSJSVZQCDUOAQO-WMLDXEAASA-N	1	0	354.385	1.084	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1c1ccccc1F	ZINC001079321035	902423370	/nfs/dbraw/zinc/42/33/70/902423370.db2.gz	XPSSYHSRQBFESO-MAUKXSAKSA-N	1	0	370.428	1.693	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccnc2C(N)=O)C[C@H]1c1ccccc1F	ZINC001079321774	902424422	/nfs/dbraw/zinc/42/44/22/902424422.db2.gz	BQEAAELBMATXHL-DOTOQJQBSA-N	1	0	366.396	1.151	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccoc2CC(N)=O)C[C@H]1c1ccccc1F	ZINC001079307269	902438683	/nfs/dbraw/zinc/43/86/83/902438683.db2.gz	ADGXNPANUOFDDO-DOTOQJQBSA-N	1	0	369.396	1.278	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)co2)C[C@H]1c1ccccc1F	ZINC001079309636	902444559	/nfs/dbraw/zinc/44/45/59/902444559.db2.gz	JOXQVQOXYPZOLD-GOEBONIOSA-N	1	0	355.369	1.349	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nnn(CC)c2CC)C[C@H]1c1ccccc1F	ZINC001079310760	902445894	/nfs/dbraw/zinc/44/58/94/902445894.db2.gz	INIIDQRDSGEOKH-DOTOQJQBSA-N	1	0	369.444	1.831	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1c1ccccc1F	ZINC001079310740	902446257	/nfs/dbraw/zinc/44/62/57/902446257.db2.gz	HOXHIFYPADERND-SUMWQHHRSA-N	1	0	354.385	1.084	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccc(C#N)cc3)C(C)(C)C2)O1	ZINC000995958581	902788051	/nfs/dbraw/zinc/78/80/51/902788051.db2.gz	NKNJCQOZWHUDEO-ATZDWAIDSA-N	1	0	370.497	1.604	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC001079592550	902873071	/nfs/dbraw/zinc/87/30/71/902873071.db2.gz	LOBVCVJVLVMESX-SJKOYZFVSA-N	1	0	351.410	1.236	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c[nH]c(C#N)c2)C3)C1	ZINC000996122324	903151402	/nfs/dbraw/zinc/15/14/02/903151402.db2.gz	MNMRGUJSWUVDPS-VZEFYGNVSA-N	1	0	355.442	1.090	20	30		FDEDRO
CC1(C)CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC000996302926	903643878	/nfs/dbraw/zinc/64/38/78/903643878.db2.gz	BNBBEXGAQMECSO-FGTMMUONSA-N	1	0	368.481	1.786	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCc2cnn(CC)c2)C(C)(C)C1	ZINC000996332037	903715119	/nfs/dbraw/zinc/71/51/19/903715119.db2.gz	XGAFRPRCWPVULD-FGTMMUONSA-N	1	0	360.502	1.863	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]([NH2+]CCN2CCCC2=O)C(C)(C)C1	ZINC000996405886	903868204	/nfs/dbraw/zinc/86/82/04/903868204.db2.gz	JJEFUZYDUSRSOY-BQFCYCMXSA-N	1	0	363.502	1.417	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNC(=O)NCCNc2ccc(C#N)cn2)CCCO1	ZINC000764188604	903959458	/nfs/dbraw/zinc/95/94/58/903959458.db2.gz	UHDKBMIBQOWWQI-OAHLLOKOSA-N	1	0	360.462	1.165	20	30		FDEDRO
Cc1ccccc1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107262251	904196794	/nfs/dbraw/zinc/19/67/94/904196794.db2.gz	NGQRSMBFZGUUBP-YLJYHZDGSA-N	1	0	354.454	1.609	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(OC)nn2)CC1	ZINC000996600348	904312581	/nfs/dbraw/zinc/31/25/81/904312581.db2.gz	IRRSQTDIAAEXLP-SJORKVTESA-N	1	0	360.458	1.547	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)OC)CCC[C@@H]12	ZINC001107305079	904393358	/nfs/dbraw/zinc/39/33/58/904393358.db2.gz	DDPXHBDRWWDWKQ-SQGPQFPESA-N	1	0	365.518	1.807	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)OCC3CC3)CCC[C@@H]12	ZINC001107316351	904436323	/nfs/dbraw/zinc/43/63/23/904436323.db2.gz	IFPSORDFGUTKKH-XAUMDUMWSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC[C@@H]1CCCO1)CC2	ZINC001107327316	904485752	/nfs/dbraw/zinc/48/57/52/904485752.db2.gz	XYKQEHLIAYSBJR-SQGPQFPESA-N	1	0	363.502	1.609	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H]1CCNC(=O)CC1)CC2	ZINC001107329098	904493107	/nfs/dbraw/zinc/49/31/07/904493107.db2.gz	IFZRARHPVRXEEE-MBOZVWFJSA-N	1	0	363.502	1.466	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cc3n(n1)CCC3)CC2	ZINC001107329546	904496816	/nfs/dbraw/zinc/49/68/16/904496816.db2.gz	YZCDXSGPQYNRFZ-UYAOXDASSA-N	1	0	358.486	1.893	20	30		FDEDRO
C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cncc(C)c1)CC2	ZINC001107366898	904574271	/nfs/dbraw/zinc/57/42/71/904574271.db2.gz	YCHQYSJJNIUSKG-WIYYLYMNSA-N	1	0	368.481	1.390	20	30		FDEDRO
C#CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@@H](O)Cn1cccn1)CC2	ZINC001107383852	904656643	/nfs/dbraw/zinc/65/66/43/904656643.db2.gz	ISTDOJIELZBKLL-QWFCFKBJSA-N	1	0	358.486	1.408	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](OCC)C3CC3)CCC[C@@H]12	ZINC001107409519	904771823	/nfs/dbraw/zinc/77/18/23/904771823.db2.gz	WEBRXTAOYWIHDU-IMFGXOCKSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)NC(=O)COC)CCC[C@@H]12	ZINC001107417795	904789904	/nfs/dbraw/zinc/78/99/04/904789904.db2.gz	QEVCMUGWQKZEHI-FRQCXROJSA-N	1	0	351.491	1.465	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)Cc3nnn(C(C)(C)C)n3)CCC[C@@H]12	ZINC001107416216	904829274	/nfs/dbraw/zinc/82/92/74/904829274.db2.gz	FWIVKJYCWMWHII-DNVCBOLYSA-N	1	0	358.490	1.355	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C(=O)COC)CCC[C@@H]12	ZINC001107426822	904852654	/nfs/dbraw/zinc/85/26/54/904852654.db2.gz	WKXREEMNJKCOCV-RHSMWYFYSA-N	1	0	357.882	1.205	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4n[nH]nc4n3)CCC[C@@H]12	ZINC001107429284	904866884	/nfs/dbraw/zinc/86/68/84/904866884.db2.gz	FJZDSMQPETVNOE-VQIMIIECSA-N	1	0	370.457	1.530	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)C3(F)CCOCC3)CCC[C@@H]12	ZINC001107432389	904881227	/nfs/dbraw/zinc/88/12/27/904881227.db2.gz	GNXSHXQQDRDIES-SJLPKXTDSA-N	1	0	352.450	1.516	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3cnn(C)c3C)CCC[C@@H]12	ZINC001107434529	904892016	/nfs/dbraw/zinc/89/20/16/904892016.db2.gz	XZQXAHTZLPZNNP-UYAOXDASSA-N	1	0	358.486	1.282	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@@H](O)COC)CC2	ZINC001107436533	904904321	/nfs/dbraw/zinc/90/43/21/904904321.db2.gz	BTBTWSRXHVPFIB-YVWKXTFCSA-N	1	0	361.486	1.656	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2cn([C@@H](C)COC)nc2C)[C@H](OC)C1	ZINC001081666895	904905132	/nfs/dbraw/zinc/90/51/32/904905132.db2.gz	AYRMSHXCKINVBY-BMGDILEWSA-N	1	0	364.490	1.794	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC)CC2	ZINC001107436904	904905883	/nfs/dbraw/zinc/90/58/83/904905883.db2.gz	XVGDEGIQPFQUNE-YLJYHZDGSA-N	1	0	358.486	1.785	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(CC)n3)CCC[C@@H]12	ZINC001107436753	904906178	/nfs/dbraw/zinc/90/61/78/904906178.db2.gz	NRRTWJZMEABHKN-WIYYLYMNSA-N	1	0	368.481	1.368	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)CCNS(C)(=O)=O)CCC[C@@H]12	ZINC001107429709	904925020	/nfs/dbraw/zinc/92/50/20/904925020.db2.gz	PWXSJDYTRZENNA-UKRRQHHQSA-N	1	0	363.911	1.039	20	30		FDEDRO
CC(C)(C(N)=O)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccc(C#N)cc1)CC2	ZINC001107444504	904943577	/nfs/dbraw/zinc/94/35/77/904943577.db2.gz	LSFRCMYEQLMNNE-DYESRHJHSA-N	1	0	368.481	1.931	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C)cc(C)n3)CCC[C@@H]12	ZINC001107457726	905024995	/nfs/dbraw/zinc/02/49/95/905024995.db2.gz	MDDXYLFWIUTZDL-WIYYLYMNSA-N	1	0	368.481	1.422	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)Cn3ccc(=O)[nH]c3=O)CCC[C@@H]12	ZINC001107465215	905035309	/nfs/dbraw/zinc/03/53/09/905035309.db2.gz	QNIGYWMXJXDSDA-DNVCBOLYSA-N	1	0	360.458	1.276	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)Cn3ccc(=O)[nH]c3=O)CCC[C@@H]12	ZINC001107465339	905037038	/nfs/dbraw/zinc/03/70/38/905037038.db2.gz	XALAPNUXVPJFEJ-DNVCBOLYSA-N	1	0	360.458	1.276	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3ncc(OC)cn3)CCC[C@@H]12	ZINC001107466325	905040339	/nfs/dbraw/zinc/04/03/39/905040339.db2.gz	DDMLXQMAXKVAMP-VQIMIIECSA-N	1	0	360.458	1.662	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1OC	ZINC001081766872	905052688	/nfs/dbraw/zinc/05/26/88/905052688.db2.gz	HJVMHTGUPCDSKI-HSALFYBXSA-N	1	0	370.497	1.748	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)COCc3nnc(C)s3)CCC[C@@H]12	ZINC001107464315	905073642	/nfs/dbraw/zinc/07/36/42/905073642.db2.gz	RXPDTIGGDUBLKE-RHSMWYFYSA-N	1	0	350.488	1.910	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)CCc3cncnc3)CCC[C@@H]12	ZINC001107470193	905089377	/nfs/dbraw/zinc/08/93/77/905089377.db2.gz	DVDJUOAZJJALMV-UYAOXDASSA-N	1	0	358.486	1.973	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](C[C@H](OC)C2CCC2)C[C@H]1OC	ZINC001081801069	905102313	/nfs/dbraw/zinc/10/23/13/905102313.db2.gz	KLWSIIRWJFPYNZ-NZSAHSFTSA-N	1	0	361.486	1.918	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CCC)S(N)(=O)=O)CCC[C@@H]12	ZINC001107485164	905159733	/nfs/dbraw/zinc/15/97/33/905159733.db2.gz	NCZBZQTZHXRYOI-BFYDXBDKSA-N	1	0	357.520	1.381	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC)CC2	ZINC001107489164	905213991	/nfs/dbraw/zinc/21/39/91/905213991.db2.gz	OMAQNLYJXXFNAN-NSISKUIASA-N	1	0	365.518	1.712	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]2C)c1	ZINC001080408840	905373399	/nfs/dbraw/zinc/37/33/99/905373399.db2.gz	QCJDODVWFJXOOI-RDTXWAMCSA-N	1	0	350.422	1.012	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCCC(=O)N3)CCC[C@@H]12	ZINC001107543231	905466992	/nfs/dbraw/zinc/46/69/92/905466992.db2.gz	ASJSSSWSLMSIND-SQGPQFPESA-N	1	0	363.502	1.609	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC3CC(OCC)C3)C[C@H]2OC)cc1	ZINC001082012655	905554231	/nfs/dbraw/zinc/55/42/31/905554231.db2.gz	CLXHHRHXASPNIE-PEVDHWGLSA-N	1	0	356.466	1.912	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@H]2OC)cc1	ZINC001082012850	905555835	/nfs/dbraw/zinc/55/58/35/905555835.db2.gz	MNBSGDHVGLHYBS-WOJBJXKFSA-N	1	0	356.466	1.914	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(CC)C(=O)CC[N@H+](C)CC)C1	ZINC001080534788	905633784	/nfs/dbraw/zinc/63/37/84/905633784.db2.gz	LHOXNJZMHGTQNX-SJORKVTESA-N	1	0	351.491	1.369	20	30		FDEDRO
C=CCC(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nc(=O)n(C)[nH]1)CC2	ZINC001107561504	905637183	/nfs/dbraw/zinc/63/71/83/905637183.db2.gz	NLNJULBGQRBUME-AUUYWEPGSA-N	1	0	361.490	1.572	20	30		FDEDRO
COCc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)no1	ZINC001080571123	905645080	/nfs/dbraw/zinc/64/50/80/905645080.db2.gz	AAJGPVSABBHADB-FZKQIMNGSA-N	1	0	354.410	1.943	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN(CC(F)F)C2)[C@H](OC)C1	ZINC001082070541	905722307	/nfs/dbraw/zinc/72/23/07/905722307.db2.gz	JDWAKKZLNKGTTD-BZUAXINKSA-N	1	0	359.461	1.745	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2)cc1	ZINC000996821720	905736695	/nfs/dbraw/zinc/73/66/95/905736695.db2.gz	CBZUZPAQOFADSJ-YSIASYRMSA-N	1	0	369.465	1.690	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3nc4ncccn4n3)CCC[C@@H]12	ZINC001107583118	905749655	/nfs/dbraw/zinc/74/96/55/905749655.db2.gz	QPXKAPQVBLRTEV-DNVCBOLYSA-N	1	0	370.457	1.301	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1C	ZINC001080589988	905759844	/nfs/dbraw/zinc/75/98/44/905759844.db2.gz	WNTWQNGLUWOTOO-LULLPPNCSA-N	1	0	360.502	1.770	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)CC2)C1=O	ZINC000996831796	905841631	/nfs/dbraw/zinc/84/16/31/905841631.db2.gz	RBXACLLMYHPXSW-KURKYZTESA-N	1	0	361.486	1.169	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)CN(C)S(=O)(=O)CC)CCC[C@@H]12	ZINC001107595796	905851481	/nfs/dbraw/zinc/85/14/81/905851481.db2.gz	KCWNZDAEIOHDIC-NVXWUHKLSA-N	1	0	357.520	1.205	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C	ZINC001082103391	905877274	/nfs/dbraw/zinc/87/72/74/905877274.db2.gz	JGLSLIZRLCFENO-MHORFTMASA-N	1	0	365.518	1.805	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cncc(OCCOC)c3)CCC[C@@H]12	ZINC001107594269	905880829	/nfs/dbraw/zinc/88/08/29/905880829.db2.gz	ICCXJVSNMPSBQI-UYAOXDASSA-N	1	0	357.454	1.714	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CCCS(=O)(=O)C3)CCC[C@@H]12	ZINC001107600423	905908806	/nfs/dbraw/zinc/90/88/06/905908806.db2.gz	YHYNHQMQXKXEHP-YQVWRLOYSA-N	1	0	366.527	1.585	20	30		FDEDRO
C=C(Br)CN1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@H](OC)C1	ZINC001082133705	905931787	/nfs/dbraw/zinc/93/17/87/905931787.db2.gz	NAHXKHLJZQQSNB-BFHYXJOUSA-N	1	0	360.296	1.195	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc4c([nH]3)CCC4)CCC[C@@H]12	ZINC001107608280	905953336	/nfs/dbraw/zinc/95/33/36/905953336.db2.gz	KIMAASHVPKIIFD-WIYYLYMNSA-N	1	0	370.497	1.780	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](C[C@@H](O)COC)CC3)cn1	ZINC001107610214	905970039	/nfs/dbraw/zinc/97/00/39/905970039.db2.gz	SLEZBHRZMXUHTC-QWFCFKBJSA-N	1	0	357.454	1.045	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccccc3OC)CCC[C@@H]12	ZINC001107617231	906013706	/nfs/dbraw/zinc/01/37/06/906013706.db2.gz	ZFXKRZBQLJYNOS-WIYYLYMNSA-N	1	0	371.481	1.972	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CS(=O)(=O)N(C)C)CCC[C@@H]12	ZINC001107622984	906027691	/nfs/dbraw/zinc/02/76/91/906027691.db2.gz	LDLRGRSBQRKLOB-NVXWUHKLSA-N	1	0	357.520	1.205	20	30		FDEDRO
C=CCC1(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NC)CC3)CCOCC1	ZINC001107620186	906054450	/nfs/dbraw/zinc/05/44/50/906054450.db2.gz	BMAUYUHIEJNYCV-OXQOHEQNSA-N	1	0	363.502	1.466	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)CNS(=O)(=O)CCCC)CCC[C@@H]12	ZINC001107620795	906059581	/nfs/dbraw/zinc/05/95/81/906059581.db2.gz	ZBKQQACLMHWDRV-NVXWUHKLSA-N	1	0	357.520	1.253	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CO[C@@H](C)c3nccn3C)CCC[C@@H]12	ZINC001107621079	906060431	/nfs/dbraw/zinc/06/04/31/906060431.db2.gz	IYHXXDKRHVMQDT-SQGPQFPESA-N	1	0	358.486	1.882	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)Cn4cncn4)CCC[C@@H]23)cc1	ZINC001107627548	906090086	/nfs/dbraw/zinc/09/00/86/906090086.db2.gz	YABBPKQCCZMCPL-UYAOXDASSA-N	1	0	364.453	1.711	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)CN3C(=O)CCC3=O)CCC[C@@H]12	ZINC001107628341	906097529	/nfs/dbraw/zinc/09/75/29/906097529.db2.gz	RVPJNDCCOJQGJF-CXAGYDPISA-N	1	0	353.850	1.249	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)CC[C@@H]3NC(=O)NC3=O)CCC[C@@H]12	ZINC001107628079	906098107	/nfs/dbraw/zinc/09/81/07/906098107.db2.gz	NDTBCEAXQLAJMC-QMTMVMCOSA-N	1	0	362.474	1.302	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1CCCCN(C)C1=O	ZINC001080770083	906200866	/nfs/dbraw/zinc/20/08/66/906200866.db2.gz	UXLGBSCYSCWCGX-ATZDWAIDSA-N	1	0	368.481	1.753	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CC3CCC(F)(F)CC3)C[C@H]2O)c1	ZINC001077648926	906214337	/nfs/dbraw/zinc/21/43/37/906214337.db2.gz	YXEIYDCAAVDRPF-IAGOWNOFSA-N	1	0	363.408	1.663	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCCC3CCCC3)C[C@H]2OC)nn1	ZINC001082212965	906295280	/nfs/dbraw/zinc/29/52/80/906295280.db2.gz	IGEYMUQYIFTFQV-SJLPKXTDSA-N	1	0	361.490	1.864	20	30		FDEDRO
CO[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1	ZINC001082270457	906452054	/nfs/dbraw/zinc/45/20/54/906452054.db2.gz	HNTGTPVETBHOLJ-WOJBJXKFSA-N	1	0	370.497	1.606	20	30		FDEDRO
CC(=O)N1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2C)C1	ZINC001080860642	906477965	/nfs/dbraw/zinc/47/79/65/906477965.db2.gz	TYDUWGZNJNKYNC-MDASCCDHSA-N	1	0	354.454	1.363	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCS(=O)(=O)C1)C2	ZINC001112538929	906486050	/nfs/dbraw/zinc/48/60/50/906486050.db2.gz	BOKXVEGRDFVXJE-RYRKJORJSA-N	1	0	354.516	1.606	20	30		FDEDRO
CC(=O)N1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2C)CC1	ZINC001080915715	906657366	/nfs/dbraw/zinc/65/73/66/906657366.db2.gz	KDKYXQLGNBQBOA-FOIQADDNSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C	ZINC001082303202	906688508	/nfs/dbraw/zinc/68/85/08/906688508.db2.gz	RYKCHPWWWUTUGH-MHORFTMASA-N	1	0	365.518	1.661	20	30		FDEDRO
CC#CC[NH2+][C@H]1CCN(c2cccc(CNC(=O)[C@H]3OCC[C@H]3C)n2)C1	ZINC001127845348	906704584	/nfs/dbraw/zinc/70/45/84/906704584.db2.gz	GBBNHHGIZPZHHD-AYBZRNKSSA-N	1	0	356.470	1.314	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CC2CC(C)C2)C[C@H]1OC	ZINC001082333118	906823029	/nfs/dbraw/zinc/82/30/29/906823029.db2.gz	PIEMDIFUYFIZGG-NANBGGJNSA-N	1	0	357.454	1.569	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCC[C@@H]3CCOC3)C[C@H]2OC)cn1	ZINC001082333873	906830920	/nfs/dbraw/zinc/83/09/20/906830920.db2.gz	FSDNYFOOBHBHKN-ATZDWAIDSA-N	1	0	357.454	1.309	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1cncc(C(N)=O)c1	ZINC001080961117	906882767	/nfs/dbraw/zinc/88/27/67/906882767.db2.gz	WEGLIWOUINCKGN-FZKQIMNGSA-N	1	0	363.421	1.302	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2ncc(Cl)n2C)CC1	ZINC000997012993	906932350	/nfs/dbraw/zinc/93/23/50/906932350.db2.gz	YDRSJKJHSHNTFF-KGLIPLIRSA-N	1	0	352.866	1.745	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3nccnc3C)C[C@H]2C)CC1	ZINC001080997446	906970900	/nfs/dbraw/zinc/97/09/00/906970900.db2.gz	DJNSYTKHHWSXQC-CRAIPNDOSA-N	1	0	355.486	1.067	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN([C@H](C)c3ncccn3)C[C@H]2C)CC1	ZINC001080997871	906974517	/nfs/dbraw/zinc/97/45/17/906974517.db2.gz	NJPUQDIWBQPOSO-JFIYKMOQSA-N	1	0	355.486	1.319	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cc(C(N)=O)ccn1	ZINC001081066819	907087338	/nfs/dbraw/zinc/08/73/38/907087338.db2.gz	JPTCMRYMNVGOTM-FZKQIMNGSA-N	1	0	363.421	1.302	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CN2CCCCCCC2=O)C[C@H]1c1ccccc1	ZINC001081123413	907182693	/nfs/dbraw/zinc/18/26/93/907182693.db2.gz	RWVFBMKTXITNGN-VQTJNVASSA-N	1	0	367.493	1.997	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnn(CC)n2)CC1	ZINC000997083907	907215127	/nfs/dbraw/zinc/21/51/27/907215127.db2.gz	JUHIJTLBLQSXBN-ROUUACIJSA-N	1	0	361.490	1.750	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccc3nnnn3c2)C[C@H]1c1ccccc1	ZINC001081145812	907256464	/nfs/dbraw/zinc/25/64/64/907256464.db2.gz	ZABDPMWSZDDAHB-ZWKOTPCHSA-N	1	0	362.437	1.898	20	30		FDEDRO
C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1	ZINC000997085808	907263141	/nfs/dbraw/zinc/26/31/41/907263141.db2.gz	VZKCYMUGUWNBAG-PKOBYXMFSA-N	1	0	356.470	1.758	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C(C)C)CCO2)C[C@H]1c1ccccc1	ZINC001081168014	907288090	/nfs/dbraw/zinc/28/80/90/907288090.db2.gz	CLAPGHSLVRJQEB-XUVXKRRUSA-N	1	0	355.482	1.313	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccoc2CC(N)=O)C[C@H]1c1ccccc1	ZINC001081170793	907294512	/nfs/dbraw/zinc/29/45/12/907294512.db2.gz	OXKNOMPYHGDUSD-DLBZAZTESA-N	1	0	353.422	1.691	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(=O)NC)nc2)C[C@H]1c1ccccc1	ZINC001081215655	907324057	/nfs/dbraw/zinc/32/40/57/907324057.db2.gz	PUVWKNUGAJWMBR-PKOBYXMFSA-N	1	0	364.449	1.825	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2nc(C)ccc2=O)C[C@H]1c1ccccc1	ZINC001081216463	907326389	/nfs/dbraw/zinc/32/63/89/907326389.db2.gz	CCIZUDZGXLDDIW-RBUKOAKNSA-N	1	0	366.465	1.712	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C[C@H]1c1ccccc1	ZINC001081203597	907390588	/nfs/dbraw/zinc/39/05/88/907390588.db2.gz	SKSJXBQTVRGGLA-DLBZAZTESA-N	1	0	368.437	1.509	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc(OCC)cn2)C[C@H]1c1ccccc1	ZINC001081233962	907436292	/nfs/dbraw/zinc/43/62/92/907436292.db2.gz	RBQATFFZZALRBP-FUHWJXTLSA-N	1	0	350.422	1.706	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2-n2ccnn2)[C@H](OC)C1	ZINC001082398788	907524920	/nfs/dbraw/zinc/52/49/20/907524920.db2.gz	UWWBVTFIQGEMDM-SJLPKXTDSA-N	1	0	355.442	1.663	20	30		FDEDRO
CO[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C	ZINC001081435485	907569707	/nfs/dbraw/zinc/56/97/07/907569707.db2.gz	VENFCNJMMKZHQC-CEXWTWQISA-N	1	0	359.445	1.087	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082413771	907633408	/nfs/dbraw/zinc/63/34/08/907633408.db2.gz	QKGSSZQFXARWFF-BDJLRTHQSA-N	1	0	355.373	1.443	20	30		FDEDRO
CC(C)(C)NS(=O)(=O)c1ccc(N=NC2CC[N@@H+]3CCC[C@H]23)nc1	ZINC000765571540	907647583	/nfs/dbraw/zinc/64/75/83/907647583.db2.gz	DWQQTFIQXQXJIG-CQSZACIVSA-N	1	0	351.476	1.794	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082426103	907667542	/nfs/dbraw/zinc/66/75/42/907667542.db2.gz	UIDCOARDHBKUCG-CXAGYDPISA-N	1	0	356.405	1.316	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1ncccc1C	ZINC001081498311	907693139	/nfs/dbraw/zinc/69/31/39/907693139.db2.gz	XODDMKWYQDSEJP-HZPDHXFCSA-N	1	0	356.451	1.952	20	30		FDEDRO
CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)cc1	ZINC001082450982	907730219	/nfs/dbraw/zinc/73/02/19/907730219.db2.gz	MSYZZTZJZLKDKS-CKEIUWERSA-N	1	0	363.483	1.576	20	30		FDEDRO
Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)nn1C	ZINC001082438579	907767193	/nfs/dbraw/zinc/76/71/93/907767193.db2.gz	MTEQJPVSKPBPGG-KZULUSFZSA-N	1	0	355.417	1.990	20	30		FDEDRO
CCOc1cccc(C[NH2+][C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)n1	ZINC001082464058	907896151	/nfs/dbraw/zinc/89/61/51/907896151.db2.gz	AFZJDRQQMSNPMS-CXAGYDPISA-N	1	0	353.426	1.930	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1[NH2+][C@H]1CCN(C(C)(C)C)C1=O	ZINC001082464942	907900435	/nfs/dbraw/zinc/90/04/35/907900435.db2.gz	SNYFCXUCEHMIGJ-IVMMDQJWSA-N	1	0	357.458	1.336	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]CC(=O)N1CCCC[C@@H]1C	ZINC001082480257	907949001	/nfs/dbraw/zinc/94/90/01/907949001.db2.gz	RYKWRRAGLYEUNS-JKIFEVAISA-N	1	0	357.458	1.337	20	30		FDEDRO
CC[C@@H]1CCCCN1C(=O)C[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC001082480387	907950391	/nfs/dbraw/zinc/95/03/91/907950391.db2.gz	HPHMYBHVKQWHQZ-QGPMSJSTSA-N	1	0	371.485	1.728	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cnn(C)c3N)C[C@H]2C)cc1C#N	ZINC001082485864	907976440	/nfs/dbraw/zinc/97/64/40/907976440.db2.gz	DCRAHROOJYIHCV-MLGOLLRUSA-N	1	0	368.441	1.133	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1	ZINC000997296212	908181828	/nfs/dbraw/zinc/18/18/28/908181828.db2.gz	OBBLGXZRIBCMJT-BPQIPLTHSA-N	1	0	361.486	1.006	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2nnn(C(C)(C)C)n2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082524743	908253744	/nfs/dbraw/zinc/25/37/44/908253744.db2.gz	JGGGIFDZLOLHGN-CZUORRHYSA-N	1	0	367.457	1.550	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C)cc3C)C[C@H]2O)nn1	ZINC001077801475	908306056	/nfs/dbraw/zinc/30/60/56/908306056.db2.gz	SYZKFVIAABNTLX-SJLPKXTDSA-N	1	0	355.442	1.056	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccn(C)c2)CC1	ZINC000997357818	908325866	/nfs/dbraw/zinc/32/58/66/908325866.db2.gz	QIRPFUFRWJPKHV-QYZOEREBSA-N	1	0	368.481	1.232	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082542651	908415276	/nfs/dbraw/zinc/41/52/76/908415276.db2.gz	PYLPZNGNRGQFCJ-ISTRZQFTSA-N	1	0	358.417	1.112	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccnc3ccnn32)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082554473	908546291	/nfs/dbraw/zinc/54/62/91/908546291.db2.gz	KUYJUVSEADCQBE-RHSMWYFYSA-N	1	0	360.421	1.851	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1CC)C1CC[NH+](C)CC1	ZINC000921613860	908580615	/nfs/dbraw/zinc/58/06/15/908580615.db2.gz	JHAJFJAOIWWNIA-QFBILLFUSA-N	1	0	374.529	1.763	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnc3n[nH]nc3c2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082563326	908652651	/nfs/dbraw/zinc/65/26/51/908652651.db2.gz	VKVGFXXTNXGEPN-SJKOYZFVSA-N	1	0	361.409	1.475	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C)sc2C)C1	ZINC001082568049	908707204	/nfs/dbraw/zinc/70/72/04/908707204.db2.gz	UTNJSHVHGRKHNV-XWIAVFTESA-N	1	0	360.527	1.794	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccc(OC)cc2)C1	ZINC001082568512	908711030	/nfs/dbraw/zinc/71/10/30/908711030.db2.gz	AHZKGLDFMIREBC-UIFIKXQLSA-N	1	0	369.509	1.772	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082569060	908716576	/nfs/dbraw/zinc/71/65/76/908716576.db2.gz	IGLDPUHWELAEAA-SJKOYZFVSA-N	1	0	369.400	1.041	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2c(C)ncn2C)C[C@H]1C	ZINC001082575515	908829144	/nfs/dbraw/zinc/82/91/44/908829144.db2.gz	KUKXIGDRKIITQE-CXAGYDPISA-N	1	0	367.453	1.859	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)CC1	ZINC001060849591	908872365	/nfs/dbraw/zinc/87/23/65/908872365.db2.gz	ZIWLXCZXXHATEO-TVFCKZIOSA-N	1	0	363.502	1.465	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn3c(n2)COCC3)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082593629	908875375	/nfs/dbraw/zinc/87/53/75/908875375.db2.gz	UXPIRZUAFUELMX-RHSMWYFYSA-N	1	0	365.437	1.535	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cnc3n[nH]cc3c2)C[C@H]1C	ZINC001082584901	908896057	/nfs/dbraw/zinc/89/60/57/908896057.db2.gz	VTKWSZZCTZIAPP-NOZJJQNGSA-N	1	0	364.247	1.917	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3ccnc3C2)C[C@H]1C	ZINC001082604020	908921870	/nfs/dbraw/zinc/92/18/70/908921870.db2.gz	YYTIJZVZDLICIS-MRVWCRGKSA-N	1	0	367.291	1.791	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCCNC2=O)C1	ZINC001082600301	908963468	/nfs/dbraw/zinc/96/34/68/908963468.db2.gz	MWDGOFFAZGXXCC-HYVNUMGLSA-N	1	0	357.454	1.580	20	30		FDEDRO
C[NH+](C)CCNC(=O)C1CCN(C(=O)Nc2cc(C#N)ccc2F)CC1	ZINC000888355356	908993760	/nfs/dbraw/zinc/99/37/60/908993760.db2.gz	PJFXVEPNTHPOEA-UHFFFAOYSA-N	1	0	361.421	1.619	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1CN(CC(=O)NCCCC)C[C@H]1OC)OCC	ZINC001212354564	909067868	/nfs/dbraw/zinc/06/78/68/909067868.db2.gz	BHFIQAKQICNUBH-IXDOHACOSA-N	1	0	369.506	1.089	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cccn4nccc34)C[C@H]2C)C1=O	ZINC001082617620	909079900	/nfs/dbraw/zinc/07/99/00/909079900.db2.gz	HFGYYHXERHNUBK-DJIMGWMZSA-N	1	0	367.453	1.171	20	30		FDEDRO
C#CCC1(NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CCOCC1	ZINC000888364785	909096173	/nfs/dbraw/zinc/09/61/73/909096173.db2.gz	OXERLVBRZXDXGB-UHFFFAOYSA-N	1	0	355.482	1.957	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(CC)C2)[C@H](OC)C1	ZINC001212357725	909101973	/nfs/dbraw/zinc/10/19/73/909101973.db2.gz	UCYRAXINEVCSOS-GVDBMIGSSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CN(C)C(=O)C2CC2)[C@H](OC)C1	ZINC001212361438	909130307	/nfs/dbraw/zinc/13/03/07/909130307.db2.gz	ORNALHKHQQVVCU-IAGOWNOFSA-N	1	0	351.491	1.417	20	30		FDEDRO
CC(=O)N1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1	ZINC001082628189	909158369	/nfs/dbraw/zinc/15/83/69/909158369.db2.gz	PLIRGYIWTSOTDI-CDHQVMDDSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](CCC)CC1	ZINC000282175815	909202224	/nfs/dbraw/zinc/20/22/24/909202224.db2.gz	FAOGGVWGUAMMOI-UHFFFAOYSA-N	1	0	355.446	1.643	20	30		FDEDRO
Cc1cc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)n(C)n1	ZINC001082641473	909274582	/nfs/dbraw/zinc/27/45/82/909274582.db2.gz	QNCOSHZVQQNFSH-AUUYWEPGSA-N	1	0	351.454	1.779	20	30		FDEDRO
Cc1cncn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1	ZINC001082646441	909313279	/nfs/dbraw/zinc/31/32/79/909313279.db2.gz	WMGXNNFRAFWGIS-FZKQIMNGSA-N	1	0	355.417	1.839	20	30		FDEDRO
CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1	ZINC000997640474	909348019	/nfs/dbraw/zinc/34/80/19/909348019.db2.gz	CCCVAEJTDIGGGK-CFVMTHIKSA-N	1	0	362.392	1.573	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@]3(C)CNC(=O)C3)C[C@H]2C)cc1C#N	ZINC001082659676	909375846	/nfs/dbraw/zinc/37/58/46/909375846.db2.gz	XFMAUTFEQGHBNE-AUJRIZCKSA-N	1	0	370.453	1.030	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCNC(=O)CC2)C[C@H]1C	ZINC001082664924	909448183	/nfs/dbraw/zinc/44/81/83/909448183.db2.gz	PJLXACSDASITRJ-RAIGVLPGSA-N	1	0	358.280	1.248	20	30		FDEDRO
CO[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1)c1cnn(C)c1	ZINC001082666910	909464445	/nfs/dbraw/zinc/46/44/45/909464445.db2.gz	RSMLNOLEZKZYGS-ZMYBRWDISA-N	1	0	367.453	1.616	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ncnc3ccsc32)[C@H](OC)C1	ZINC001212377449	909492840	/nfs/dbraw/zinc/49/28/40/909492840.db2.gz	MUXRRKPZVFDAOT-ZIAGYGMSSA-N	1	0	362.455	1.323	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccsn2)C3)CC1	ZINC000997695451	909493058	/nfs/dbraw/zinc/49/30/58/909493058.db2.gz	QFPCNWYBEYQXPF-PVAVHDDUSA-N	1	0	372.494	1.350	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082685143	909569568	/nfs/dbraw/zinc/56/95/68/909569568.db2.gz	BQRRQDUJXBHGBP-IAQYHMDHSA-N	1	0	357.389	1.387	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082746597	909686237	/nfs/dbraw/zinc/68/62/37/909686237.db2.gz	QHMYLCZQTDVYPG-LJGDNWOOSA-N	1	0	372.444	1.535	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccoc2CC(N)=O)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082708921	909750421	/nfs/dbraw/zinc/75/04/21/909750421.db2.gz	XKCRCWMRZAELAO-CXAGYDPISA-N	1	0	366.421	1.429	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082725237	909843809	/nfs/dbraw/zinc/84/38/09/909843809.db2.gz	SOHXOQGJCZZUBC-FXHACXQTSA-N	1	0	358.417	1.303	20	30		FDEDRO
C=CCCC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@]13C[C@H]1COC3)CC2	ZINC001128004446	909863357	/nfs/dbraw/zinc/86/33/57/909863357.db2.gz	CSKMMUDMNLZLHS-KHYOSLBOSA-N	1	0	359.474	1.192	20	30		FDEDRO
C=CCC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@H]1OCC[C@H]1CC)CC2	ZINC001128004697	909865766	/nfs/dbraw/zinc/86/57/66/909865766.db2.gz	CZFKZYSFNBKZLC-RKVPGOIHSA-N	1	0	361.490	1.580	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccn(C)c3CC)C[C@H]2C)C1=O	ZINC001082742199	909943596	/nfs/dbraw/zinc/94/35/96/909943596.db2.gz	VIMPBHSWQUOXFJ-HYVNUMGLSA-N	1	0	358.486	1.425	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082746168	909975682	/nfs/dbraw/zinc/97/56/82/909975682.db2.gz	NPHJSSCWQSAUQI-PIGZYNQJSA-N	1	0	369.400	1.375	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082750504	909989099	/nfs/dbraw/zinc/98/90/99/909989099.db2.gz	VGTKQLQBPGZAFN-SJKOYZFVSA-N	1	0	356.405	1.385	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC2CCN(C(=O)[C@@H]3CCO[C@H]3CC)CC2)C1=O	ZINC000997927203	910030727	/nfs/dbraw/zinc/03/07/27/910030727.db2.gz	MGXMUKFRGWSVRQ-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
CCCN1C[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)CC1=O	ZINC001082772229	910088458	/nfs/dbraw/zinc/08/84/58/910088458.db2.gz	FRRZFLKHHWXQBS-AYOQOUSVSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(CO)cc3)C2)nn1	ZINC001082791225	910192001	/nfs/dbraw/zinc/19/20/01/910192001.db2.gz	GYBMHGGBBMJZQD-RHSMWYFYSA-N	1	0	355.442	1.207	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc4c(c3)COC4)C2)nn1	ZINC001082792475	910197029	/nfs/dbraw/zinc/19/70/29/910197029.db2.gz	ZHQJRYHMLBJRTM-RDTXWAMCSA-N	1	0	367.453	1.745	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccccc2C#N)CC1	ZINC000998079473	910307063	/nfs/dbraw/zinc/30/70/63/910307063.db2.gz	PHGMLOXNZMKLMV-MOPGFXCFSA-N	1	0	368.481	1.611	20	30		FDEDRO
COCc1nc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)co1	ZINC001082830935	910357285	/nfs/dbraw/zinc/35/72/85/910357285.db2.gz	IJNQADPFLFTOFZ-CZUORRHYSA-N	1	0	354.410	1.943	20	30		FDEDRO
Cc1nonc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC001082834247	910395433	/nfs/dbraw/zinc/39/54/33/910395433.db2.gz	CDGTVKBSTOETMQ-PIGZYNQJSA-N	1	0	357.389	1.568	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2ccc(OC)nn2)C[C@H]1C	ZINC001082840941	910449663	/nfs/dbraw/zinc/44/96/63/910449663.db2.gz	WMMUCDLVJDZHBO-BXKDBHETSA-N	1	0	355.236	1.444	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnc(C)nc2)C1	ZINC001082851026	910462110	/nfs/dbraw/zinc/46/21/10/910462110.db2.gz	JPAHNAAGRQNVIE-RHSMWYFYSA-N	1	0	367.453	1.995	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cncn2C)C1	ZINC001082851473	910463306	/nfs/dbraw/zinc/46/33/06/910463306.db2.gz	GBUNTQLYFAUDHF-GDBMZVCRSA-N	1	0	355.442	1.630	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCn3c(C)csc3=O)C2)cn1	ZINC001082870955	910521792	/nfs/dbraw/zinc/52/17/92/910521792.db2.gz	TVYDVMJOAPWXKC-CXAGYDPISA-N	1	0	370.478	1.345	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cncc(OC)n3)C2)cn1	ZINC001082870873	910521870	/nfs/dbraw/zinc/52/18/70/910521870.db2.gz	PPPFGGQRGYXWTF-CXAGYDPISA-N	1	0	351.410	1.112	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1	ZINC001082884781	910663879	/nfs/dbraw/zinc/66/38/79/910663879.db2.gz	FSVSIKZOBQNDPR-AYOQOUSVSA-N	1	0	363.465	1.426	20	30		FDEDRO
COCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)cn1	ZINC001082889278	910696849	/nfs/dbraw/zinc/69/68/49/910696849.db2.gz	ZCHOSUKOEHUDET-DNVCBOLYSA-N	1	0	367.453	1.651	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCCOCC)C[C@H]2OC)CCOCC1	ZINC001212395405	910733082	/nfs/dbraw/zinc/73/30/82/910733082.db2.gz	FSMUJGXJALHUKE-IAGOWNOFSA-N	1	0	352.475	1.049	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC(=O)NC2)[C@H](OC)C1	ZINC001212395409	910734169	/nfs/dbraw/zinc/73/41/69/910734169.db2.gz	FVCGWXYOZURPFC-GVDBMIGSSA-N	1	0	351.491	1.465	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCCCOC)C[C@H]2OC)CCOCC1	ZINC001212395902	910752278	/nfs/dbraw/zinc/75/22/78/910752278.db2.gz	SOIRBIYXAPITLM-IAGOWNOFSA-N	1	0	352.475	1.049	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)Cc3ccccc3C)C[C@H]2C)C1=O	ZINC001082911034	910851052	/nfs/dbraw/zinc/85/10/52/910851052.db2.gz	ZFTSHHIEZPFRSJ-NZSAHSFTSA-N	1	0	355.482	1.761	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@@H+](C)C2CCC2)nc1	ZINC000998948836	911896345	/nfs/dbraw/zinc/89/63/45/911896345.db2.gz	RVEKQEQZDKPNIG-NEWSRXKRSA-N	1	0	366.465	1.409	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](C2CC2)[NH+](C)C)nc1	ZINC000998952124	911903340	/nfs/dbraw/zinc/90/33/40/911903340.db2.gz	KUDSMNKTYOHDKQ-XGXHKWSGSA-N	1	0	366.465	1.265	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC[NH+](C)CC2)cn1	ZINC000998954566	911923917	/nfs/dbraw/zinc/92/39/17/911923917.db2.gz	NUSABJFQILNHTE-QYZOEREBSA-N	1	0	366.465	1.266	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CCO[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@@H]21	ZINC001083106086	912045844	/nfs/dbraw/zinc/04/58/44/912045844.db2.gz	JBHRHSOKYUROBF-YTQUADARSA-N	1	0	359.470	1.626	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CCO[C@@H]3C[N@@H+]([C@H](C)COC)C[C@@H]32)cc1	ZINC001083123677	912065928	/nfs/dbraw/zinc/06/59/28/912065928.db2.gz	NPQVNZXSCHNVFX-AYOQOUSVSA-N	1	0	360.454	1.812	20	30		FDEDRO
CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(C#N)c[nH]1)[NH+]1CCCC1	ZINC000999112763	912082582	/nfs/dbraw/zinc/08/25/82/912082582.db2.gz	DWXGBQNPQBKTKC-VYDXJSESSA-N	1	0	369.469	1.622	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccnc(N4CCCC4)n3)[C@H]2C1	ZINC001083125532	912091957	/nfs/dbraw/zinc/09/19/57/912091957.db2.gz	WCOWSJDCFFITHN-DLBZAZTESA-N	1	0	357.458	1.178	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3coc(-c4cccnc4)n3)[C@H]2C1	ZINC001083131169	912128826	/nfs/dbraw/zinc/12/88/26/912128826.db2.gz	CZOHZIWVIYQVOQ-DLBZAZTESA-N	1	0	354.410	1.838	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2snnc2C)C1	ZINC000999183994	912192815	/nfs/dbraw/zinc/19/28/15/912192815.db2.gz	YEQFXRGVJRDUIZ-KFWWJZLASA-N	1	0	350.488	1.908	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCn2c(C)csc2=O)[C@H](OC)C1	ZINC001212412075	912198411	/nfs/dbraw/zinc/19/84/11/912198411.db2.gz	OOOKEPBOWGHIHZ-HUUCEWRRSA-N	1	0	353.488	1.390	20	30		FDEDRO
Cn1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)ccc1=O	ZINC001084481063	914912326	/nfs/dbraw/zinc/91/23/26/914912326.db2.gz	PRSVDDHPAYVWAN-IEBWSBKVSA-N	1	0	362.433	1.603	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3CC[N@@H+](CCn4nc(C)cc4C)C[C@H]32)c1	ZINC001084648433	915827788	/nfs/dbraw/zinc/82/77/88/915827788.db2.gz	COIASZUZGWRPIL-UYAOXDASSA-N	1	0	363.465	1.723	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCCC4)O3)[C@@H]2C1	ZINC001084658752	915917858	/nfs/dbraw/zinc/91/78/58/915917858.db2.gz	WBXBZCCQYOZLJK-TVFCKZIOSA-N	1	0	361.486	1.265	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21	ZINC001084798148	917184752	/nfs/dbraw/zinc/18/47/52/917184752.db2.gz	BVNCFMPNMKYKSF-VAMGGRTRSA-N	1	0	365.477	1.364	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)cc1F	ZINC001084832521	917531792	/nfs/dbraw/zinc/53/17/92/917531792.db2.gz	KPZJHVRDKQUYPN-IEBWSBKVSA-N	1	0	356.445	1.826	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4c(C)noc4C)C[C@H]32)CC1	ZINC001084850990	917656803	/nfs/dbraw/zinc/65/68/03/917656803.db2.gz	HSSAVULNBCZDSF-UYAOXDASSA-N	1	0	370.497	1.669	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4nnc(CC)o4)C[C@H]32)CC1	ZINC001084850958	917656932	/nfs/dbraw/zinc/65/69/32/917656932.db2.gz	GGEPOCDZMHVLEK-IAGOWNOFSA-N	1	0	371.485	1.010	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c1	ZINC000731129042	917775112	/nfs/dbraw/zinc/77/51/12/917775112.db2.gz	FQRKLHAUUJFWRH-GOSISDBHSA-N	1	0	373.453	1.206	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C[C@H]21)N1CCOCC1	ZINC001084872987	917903806	/nfs/dbraw/zinc/90/38/06/917903806.db2.gz	KLOBSDCRNYACSU-PWIZWCRZSA-N	1	0	368.481	1.312	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ccc(C)n4C)C[C@@H]32)C1=O	ZINC001084889321	918012970	/nfs/dbraw/zinc/01/29/70/918012970.db2.gz	NERWVWBYUMNSAH-WDSOQIARSA-N	1	0	370.497	1.657	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cccc(C)n4)C[C@@H]32)C1=O	ZINC001084891748	918041810	/nfs/dbraw/zinc/04/18/10/918041810.db2.gz	PGKJEOVFESDEPX-UHOSZYNNSA-N	1	0	368.481	1.713	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cc(C)nn4C)C[C@@H]32)C1=O	ZINC001084899480	918105680	/nfs/dbraw/zinc/10/56/80/918105680.db2.gz	FDOWRBGUXVGZJR-BQFCYCMXSA-N	1	0	371.485	1.052	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4c[nH]c(C)n4)C[C@@H]32)C1=O	ZINC001084905195	918193127	/nfs/dbraw/zinc/19/31/27/918193127.db2.gz	ATIHCYHWSRXMDX-UAGQMJEPSA-N	1	0	357.458	1.041	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cnn(CC)c4)C[C@@H]32)C1=O	ZINC001084907342	918205010	/nfs/dbraw/zinc/20/50/10/918205010.db2.gz	HTMMLGKAHNSGIL-JQHSSLGASA-N	1	0	371.485	1.226	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)Cc4cccnc4)C[C@@H]32)C1=O	ZINC001084921494	918362772	/nfs/dbraw/zinc/36/27/72/918362772.db2.gz	CAIIPAPYDZWIHF-FHWLQOOXSA-N	1	0	368.481	1.334	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N4CCCC4)[C@H]3C2)[nH]1	ZINC001084921905	918365962	/nfs/dbraw/zinc/36/59/62/918365962.db2.gz	BDYLELMRGKFQSW-PBHICJAKSA-N	1	0	355.442	1.045	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)C[C@@H]21	ZINC001084975199	919051294	/nfs/dbraw/zinc/05/12/94/919051294.db2.gz	PZRAQNMWKAGVJU-OAGGEKHMSA-N	1	0	359.474	1.435	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCCS3(=O)=O)C[C@@H]21	ZINC001084998809	919393243	/nfs/dbraw/zinc/39/32/43/919393243.db2.gz	HKJLVUQAJPADAK-IKGGRYGDSA-N	1	0	354.516	1.843	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4cnnn4)cn3)C[C@@H]21	ZINC001084997723	919439740	/nfs/dbraw/zinc/43/97/40/919439740.db2.gz	USXCTRQSMNTBLI-QAPCUYQASA-N	1	0	367.457	1.560	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCOCC3)[C@H]2C1	ZINC001085004913	919549269	/nfs/dbraw/zinc/54/92/69/919549269.db2.gz	UJXIHJQTWZBMDX-SJORKVTESA-N	1	0	363.502	1.370	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)[C@H]2C1	ZINC001085006296	919570722	/nfs/dbraw/zinc/57/07/22/919570722.db2.gz	LAQAYECKIVYDIF-XHSDSOJGSA-N	1	0	354.516	1.556	20	30		FDEDRO
CN1CC[C@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)[C@H]3C2)C1=O	ZINC001085012511	919596918	/nfs/dbraw/zinc/59/69/18/919596918.db2.gz	VVQDBVSNDHJDAR-QYZOEREBSA-N	1	0	366.465	1.459	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cc(C)co4)C[C@@H]32)C1=O	ZINC001085012533	919597155	/nfs/dbraw/zinc/59/71/55/919597155.db2.gz	XIOVWZBFLQNUDP-BBWFWOEESA-N	1	0	357.454	1.911	20	30		FDEDRO
O=C([C@H]1[C@@H]2COC[C@@H]21)N1CC[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)[C@H]2C1	ZINC001085009701	919601807	/nfs/dbraw/zinc/60/18/07/919601807.db2.gz	VPWIIGYVCYNHKI-TZMRYXNNSA-N	1	0	368.452	1.992	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cnc(C)n4C)C[C@@H]32)C1=O	ZINC001085017106	919689900	/nfs/dbraw/zinc/68/99/00/919689900.db2.gz	HUOXEMODJTYKFH-BQFCYCMXSA-N	1	0	371.485	1.052	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCCc3nc(C)no3)[C@H]2C1	ZINC001085037421	919962856	/nfs/dbraw/zinc/96/28/56/919962856.db2.gz	GFCXFZJTRDETOX-BDXSIMOUSA-N	1	0	374.485	1.825	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCN1C1CC1	ZINC000732701060	919992442	/nfs/dbraw/zinc/99/24/42/919992442.db2.gz	OWHQWBWUNJJNEL-IEBWSBKVSA-N	1	0	353.470	1.643	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cnoc4C)[C@H]3C2)nn1	ZINC001085051882	920100121	/nfs/dbraw/zinc/10/01/21/920100121.db2.gz	OKMOYMDGYPHWJQ-PBHICJAKSA-N	1	0	356.430	1.497	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccnn3C3CCOCC3)C[C@@H]21	ZINC001085053021	920118398	/nfs/dbraw/zinc/11/83/98/920118398.db2.gz	YPWURPBSWUXRPV-APWZRJJASA-N	1	0	356.470	1.794	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3[nH]ncc3Br)C[C@@H]21	ZINC001085058419	920229149	/nfs/dbraw/zinc/22/91/49/920229149.db2.gz	ULBFQHQNMMRELD-YPMHNXCESA-N	1	0	351.248	1.732	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnn(-c4nccs4)c3)C[C@@H]21	ZINC001085072343	920488026	/nfs/dbraw/zinc/48/80/26/920488026.db2.gz	UUSJBJFTGVXKHE-ZBFHGGJFSA-N	1	0	355.467	1.889	20	30		FDEDRO
CC(=NNCCS(C)(=O)=O)c1ccc(O)c(C[NH+]2CCCCC2)c1	ZINC000733203942	920743144	/nfs/dbraw/zinc/74/31/44/920743144.db2.gz	FBSHAPBFHUELQO-UHFFFAOYSA-N	1	0	353.488	1.736	20	30		FDEDRO
C=C[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N(C)C)[C@H]2C1)c1ccccc1	ZINC001085099255	920900941	/nfs/dbraw/zinc/90/09/41/920900941.db2.gz	KMSNHGILPXSDTM-QYZOEREBSA-N	1	0	355.482	1.967	20	30		FDEDRO
COc1ccc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)c(OC)c1OC	ZINC000733333690	920988564	/nfs/dbraw/zinc/98/85/64/920988564.db2.gz	RJDOUJBKBRAKFB-OBGWFSINSA-N	1	0	361.398	1.328	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)CC2CCOCC2)C1=O	ZINC001085155017	921847951	/nfs/dbraw/zinc/84/79/51/921847951.db2.gz	XTTHZPDSFKSKMT-KZNAEPCWSA-N	1	0	363.502	1.607	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cn(CC3CC3)nn2)c1	ZINC001085163894	921911264	/nfs/dbraw/zinc/91/12/64/921911264.db2.gz	FNPBKHMXEKHGRZ-IAGOWNOFSA-N	1	0	367.457	1.719	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2cc(C)[nH]n2)C1=O	ZINC001085166752	921960738	/nfs/dbraw/zinc/96/07/38/921960738.db2.gz	QKJNEWJGXYCBIX-BRWVUGGUSA-N	1	0	359.474	1.065	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc(C3CC3)[nH]2)c[nH]1	ZINC001085176391	922006213	/nfs/dbraw/zinc/00/62/13/922006213.db2.gz	CQZBPRRFLKKKJP-HUUCEWRRSA-N	1	0	353.430	1.713	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1ccnn1C	ZINC001085184197	922062253	/nfs/dbraw/zinc/06/22/53/922062253.db2.gz	JQDMWTVYPCMESR-ZIAGYGMSSA-N	1	0	355.280	1.888	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3c2ncccc2C#N)CC[N@@H+]1C	ZINC001066198649	922589916	/nfs/dbraw/zinc/58/99/16/922589916.db2.gz	OXOISLWKVSJCAH-VDHUWJSZSA-N	1	0	353.470	1.863	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+][C@]1(CO)CCCN(Cc2ccccc2)C1	ZINC000733998614	922819696	/nfs/dbraw/zinc/81/96/96/922819696.db2.gz	ABRNGDDNKPCCIW-HXUWFJFHSA-N	1	0	358.486	1.365	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001085230833	922993220	/nfs/dbraw/zinc/99/32/20/922993220.db2.gz	RRXBNZOLNJOBPL-PIKADFDJSA-N	1	0	357.454	1.879	20	30		FDEDRO
CN1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)C1=O	ZINC001085237255	923031740	/nfs/dbraw/zinc/03/17/40/923031740.db2.gz	PAXAOKUVIFDFGK-GUDVDZBRSA-N	1	0	368.481	1.944	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)O1	ZINC001085243172	923126397	/nfs/dbraw/zinc/12/63/97/923126397.db2.gz	XVRQAXYATQSTSU-HUYLIWGRSA-N	1	0	370.497	1.794	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(C(N)=O)(c3ccccc3)CC2)CC1	ZINC000734451334	923356070	/nfs/dbraw/zinc/35/60/70/923356070.db2.gz	ULDZVQFWCNDDGC-UHFFFAOYSA-N	1	0	353.466	1.377	20	30		FDEDRO
Cc1nn[nH]c1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001085293413	923610683	/nfs/dbraw/zinc/61/06/83/923610683.db2.gz	IBJNRESTWSEWBE-HZPDHXFCSA-N	1	0	356.405	1.955	20	30		FDEDRO
CN1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)C1=O	ZINC001085302093	923675926	/nfs/dbraw/zinc/67/59/26/923675926.db2.gz	CEOPQHCCUOSULI-RCCFBDPRSA-N	1	0	354.454	1.554	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(=O)cn1	ZINC001085313582	923767465	/nfs/dbraw/zinc/76/74/65/923767465.db2.gz	DPKOJBJCMKQBMA-GHMZBOCLSA-N	1	0	355.236	1.309	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(=O)n3nccc3[nH]2)C1	ZINC001085325487	923914616	/nfs/dbraw/zinc/91/46/16/923914616.db2.gz	QKBRPEZGCAEFAS-HZPDHXFCSA-N	1	0	369.469	1.896	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[C@H]2C(N)=O)c(F)c1	ZINC001085334662	923970553	/nfs/dbraw/zinc/97/05/53/923970553.db2.gz	AMPAOWKVFIPOES-YALNPMBYSA-N	1	0	358.417	1.336	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccn(C)c(=O)c1	ZINC001085335820	923976996	/nfs/dbraw/zinc/97/69/96/923976996.db2.gz	QGKXQVMEQOOOSW-TVFCKZIOSA-N	1	0	359.470	1.493	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1snnc1C	ZINC001085338277	924020302	/nfs/dbraw/zinc/02/03/02/924020302.db2.gz	YHSXFWQJCBJWPJ-TUVASFSCSA-N	1	0	350.488	1.955	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(C(N)=O)c1	ZINC001085425038	924620368	/nfs/dbraw/zinc/62/03/68/924620368.db2.gz	WWQMRULVYZKIBN-VXGBXAGGSA-N	1	0	369.263	1.653	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCc2nc(N)nc(Nc3ccccc3)n2)CC1	ZINC000735939620	924685351	/nfs/dbraw/zinc/68/53/51/924685351.db2.gz	IPNHEVPGJRAGBK-UHFFFAOYSA-N	1	0	366.425	1.586	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)CC1	ZINC000735940935	924688767	/nfs/dbraw/zinc/68/87/67/924688767.db2.gz	WHRQDNKBZODUMH-GOEBONIOSA-N	1	0	363.458	1.279	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CCN(Cc2noc(C(C)(C)C)n2)CC1	ZINC000736165996	924783953	/nfs/dbraw/zinc/78/39/53/924783953.db2.gz	QZPUSWOWDRFXRF-HNNXBMFYSA-N	1	0	359.474	1.109	20	30		FDEDRO
Cn1ccnc1[C@@](O)(C[NH2+]Cc1cnc2ccc(C#N)cn12)C(F)(F)F	ZINC000736639435	924863088	/nfs/dbraw/zinc/86/30/88/924863088.db2.gz	XGPODIXLXXHKNY-HNNXBMFYSA-N	1	0	364.331	1.479	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCc1cnn(CC)c1	ZINC001085600920	924947264	/nfs/dbraw/zinc/94/72/64/924947264.db2.gz	HWGKPEDYJIWJHC-OTWHNJEPSA-N	1	0	360.502	1.959	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2Cc2ccc(OCC#N)cc2)CC[N@@H+]1C	ZINC001085604484	924969223	/nfs/dbraw/zinc/96/92/23/924969223.db2.gz	JLJZKOXHQCKFJW-IMFGXOCKSA-N	1	0	370.497	1.962	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2cccs2)CC1	ZINC000740737419	925420675	/nfs/dbraw/zinc/42/06/75/925420675.db2.gz	CQCICFPEGCAKOA-ZDUSSCGKSA-N	1	0	369.512	1.019	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)CC1	ZINC000741206042	925630035	/nfs/dbraw/zinc/63/00/35/925630035.db2.gz	VJERWTMZBOIZCG-WIYYLYMNSA-N	1	0	369.509	1.737	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1F	ZINC000741723120	925832358	/nfs/dbraw/zinc/83/23/58/925832358.db2.gz	UGTDIMWGYXAFAN-JSGCOSHPSA-N	1	0	369.462	1.503	20	30		FDEDRO
Cc1ncc(CO)c(/C=N/CC2([NH+]3CCCCC3)CCN(C)CC2)c1O	ZINC000741843801	925880189	/nfs/dbraw/zinc/88/01/89/925880189.db2.gz	MGSMXXDUQCXLSL-FYJGNVAPSA-N	1	0	360.502	1.957	20	30		FDEDRO
C=C(C)CN1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H](n2ccnn2)C1	ZINC001129326201	925902576	/nfs/dbraw/zinc/90/25/76/925902576.db2.gz	CNWWWPPPVMTJRS-FGTMMUONSA-N	1	0	362.522	1.562	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc3n(n2)CCC3)C1	ZINC001086089591	925937680	/nfs/dbraw/zinc/93/76/80/925937680.db2.gz	HCBRWDFWKZPHMX-OHQAAIJDSA-N	1	0	358.486	1.795	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)c2nnc(CC)[nH]2)C1	ZINC001086089822	925938105	/nfs/dbraw/zinc/93/81/05/925938105.db2.gz	RYZVSWONQDDSCY-LJIZCISZSA-N	1	0	361.490	1.894	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCN(C(C)C)C2=O)C1	ZINC001086089380	925945184	/nfs/dbraw/zinc/94/51/84/925945184.db2.gz	XACCZPXLQSJNOQ-WKULXVSPSA-N	1	0	363.502	1.461	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)O1	ZINC001086120963	926051213	/nfs/dbraw/zinc/05/12/13/926051213.db2.gz	VPILZFLMRURJOM-VWPFQQQWSA-N	1	0	362.499	1.323	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc1	ZINC001086153403	926154243	/nfs/dbraw/zinc/15/42/43/926154243.db2.gz	HUOIAGGTHGXRMU-PHUPPTAPSA-N	1	0	351.450	1.966	20	30		FDEDRO
C#Cc1ccc(C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)nc1	ZINC000742896736	926210550	/nfs/dbraw/zinc/21/05/50/926210550.db2.gz	CEBCFIXDJXTUGT-UHFFFAOYSA-N	1	0	364.449	1.941	20	30		FDEDRO
COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3OCC[C@H]3C)C2)cc1C#N	ZINC001086200497	926272292	/nfs/dbraw/zinc/27/22/92/926272292.db2.gz	CZZQEXLVAFPCSH-OVLVRJBISA-N	1	0	357.454	1.976	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCN2CCCC2=O)C1	ZINC001086220838	926326385	/nfs/dbraw/zinc/32/63/85/926326385.db2.gz	UAZYNWUTUIYGKT-ZMMAXQRCSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3CCO[C@H]3C(=C)C)C2)C1=O	ZINC001086223551	926340322	/nfs/dbraw/zinc/34/03/22/926340322.db2.gz	VHCYHVDFYSQAHX-ADHGMGHFSA-N	1	0	361.486	1.239	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1	ZINC000743894894	926497792	/nfs/dbraw/zinc/49/77/92/926497792.db2.gz	DBDLJBAYGBPOFU-AWEZNQCLSA-N	1	0	361.417	1.767	20	30		FDEDRO
COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1C#N	ZINC001086363480	926830864	/nfs/dbraw/zinc/83/08/64/926830864.db2.gz	WNVCWVNURRIVON-DTZQCDIJSA-N	1	0	358.398	1.216	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1	ZINC001086390997	926983103	/nfs/dbraw/zinc/98/31/03/926983103.db2.gz	WMEGMLYWPVGFOS-GKEYINFOSA-N	1	0	361.417	1.486	20	30		FDEDRO
C#CCN(CC#CC)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000745297442	927155471	/nfs/dbraw/zinc/15/54/71/927155471.db2.gz	LFYDOOBIGGPSNN-UHFFFAOYSA-N	1	0	352.482	1.472	20	30		FDEDRO
C=C(Br)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC001086479533	927508713	/nfs/dbraw/zinc/50/87/13/927508713.db2.gz	JWMSGCRBFYGMDW-FVCCEPFGSA-N	1	0	358.280	1.281	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2nnc(C)n2C2CC2)C1	ZINC001086481056	927517000	/nfs/dbraw/zinc/51/70/00/927517000.db2.gz	LMYNTGYGZQUGFF-SRABZTEZSA-N	1	0	359.474	1.497	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ncnn2CC(C)C)C1	ZINC001086481175	927518260	/nfs/dbraw/zinc/51/82/60/927518260.db2.gz	RQKUQBMRDNVYAK-VQHPVUNQSA-N	1	0	361.490	1.510	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2nnc3n2CCCC3)C1	ZINC001086481273	927519044	/nfs/dbraw/zinc/51/90/44/927519044.db2.gz	XTYCIQKEMZRUOL-FPCVCCKLSA-N	1	0	359.474	1.190	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3c3cccnc3)C2)C1=O	ZINC001086486348	927565451	/nfs/dbraw/zinc/56/54/51/927565451.db2.gz	RLEVGZIQDSTSQL-HZZCBIDNSA-N	1	0	368.481	1.456	20	30		FDEDRO
CC[NH+](CC)CC1CCN(C(=O)CCNC(=O)C2N=CC=CC2=O)CC1	ZINC000746179113	927649892	/nfs/dbraw/zinc/64/98/92/927649892.db2.gz	RVNVWROXRASYDI-VHEBQXMUSA-N	1	0	362.474	1.483	20	30		FDEDRO
N#CCn1cc(NC(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cn1	ZINC000746365536	927914848	/nfs/dbraw/zinc/91/48/48/927914848.db2.gz	MJQQJLSSNCZBAT-UHFFFAOYSA-N	1	0	366.425	1.080	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)Nc1cnn(CC#N)c1	ZINC000746378641	927927443	/nfs/dbraw/zinc/92/74/43/927927443.db2.gz	AFCFWPHRGLKLIJ-UHFFFAOYSA-N	1	0	372.404	1.075	20	30		FDEDRO
C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCCCC[NH+](C)C	ZINC000766383523	927980190	/nfs/dbraw/zinc/98/01/90/927980190.db2.gz	TZSZXDOXJDZFTC-CQSZACIVSA-N	1	0	367.471	1.500	20	30		FDEDRO
CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H](O)CC2(C#N)CCC2)cc1	ZINC001168801522	928108298	/nfs/dbraw/zinc/10/82/98/928108298.db2.gz	SEDNMRPFRSVLBC-UKRRQHHQSA-N	1	0	351.472	1.690	20	30		FDEDRO
N#C/N=C1\SCCN1Cc1ccc(-n2cc3c(n2)CC[C@H]([NH3+])C3)nc1	ZINC001168807880	928110176	/nfs/dbraw/zinc/11/01/76/928110176.db2.gz	KMOSBZWEGGSBEP-NNLSSIJJSA-N	1	0	353.455	1.469	20	30		FDEDRO
C/C(=N\C#N)N(C)Cc1ccc(NCc2ncn3c2C[NH2+]CCC3)nc1	ZINC001169238402	928368030	/nfs/dbraw/zinc/36/80/30/928368030.db2.gz	WWMJEFFSHPRAPC-OEAKJJBVSA-N	1	0	352.446	1.715	20	30		FDEDRO
COC(OC)c1c(/C=N/O)ccnc1NCc1ncn2c1C[NH2+]CCC2	ZINC001169241410	928369839	/nfs/dbraw/zinc/36/98/39/928369839.db2.gz	SPZDOUQBZMQXRX-GZIVZEMBSA-N	1	0	360.418	1.483	20	30		FDEDRO
CCOC(=O)C1(Nc2ncc(Br)nc2C#N)CC[NH+](C)CC1	ZINC001169490825	928705077	/nfs/dbraw/zinc/70/50/77/928705077.db2.gz	DURMPGBWJKQPIN-UHFFFAOYSA-N	1	0	368.235	1.550	20	30		FDEDRO
COc1ccc(C(=NO)Nc2ccc3nc([C@H]4CC[NH2+]C4)nn3c2)nc1	ZINC001169608427	928788716	/nfs/dbraw/zinc/78/87/16/928788716.db2.gz	MRGZYMPBPXYNOD-NSHDSACASA-N	1	0	353.386	1.458	20	30		FDEDRO
C=CCCCCC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C)O3)CC2=O)C1	ZINC001108572830	928936633	/nfs/dbraw/zinc/93/66/33/928936633.db2.gz	GCRYZJMSRVAWAA-SOLBZPMBSA-N	1	0	363.502	1.702	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1	ZINC000766951546	929010422	/nfs/dbraw/zinc/01/04/22/929010422.db2.gz	HNSFNOUPCRQCCS-KLICCBINSA-N	1	0	361.490	1.751	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)C2(CC)CCOCC2)[C@@H](n2ccnn2)C1	ZINC001129353107	929016997	/nfs/dbraw/zinc/01/69/97/929016997.db2.gz	BBUHQSHTOVYCKI-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000767025593	929053619	/nfs/dbraw/zinc/05/36/19/929053619.db2.gz	RGROPNQSHIXHFH-ZWKOTPCHSA-N	1	0	370.453	1.011	20	30		FDEDRO
C[C@@H](CNc1ccc(C#N)nc1)NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1	ZINC001108725081	929138180	/nfs/dbraw/zinc/13/81/80/929138180.db2.gz	HZNGTHHULWHKJY-KYNGSXCRSA-N	1	0	371.485	1.617	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ncoc2C2CC2)[C@@H](n2ccnn2)C1	ZINC001129366655	929270597	/nfs/dbraw/zinc/27/05/97/929270597.db2.gz	WTSYYFYEORDCEI-CABCVRRESA-N	1	0	356.430	1.765	20	30		FDEDRO
CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OCC#N)cc1	ZINC001108887828	929445625	/nfs/dbraw/zinc/44/56/25/929445625.db2.gz	URQPRCPFOHFNAC-OLQIXAPSSA-N	1	0	370.453	1.335	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CCCC1	ZINC000769919556	929736592	/nfs/dbraw/zinc/73/65/92/929736592.db2.gz	HVPKHYCYLTVRLQ-AWEZNQCLSA-N	1	0	368.478	1.671	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3nc(C)nn3C1)C2	ZINC001109544586	929741574	/nfs/dbraw/zinc/74/15/74/929741574.db2.gz	CQNVMCQOUZTMAO-NCOADZHNSA-N	1	0	359.474	1.073	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c(C)nn(C)c1C)C2	ZINC001109576999	929797344	/nfs/dbraw/zinc/79/73/44/929797344.db2.gz	LJFTXQPVRKECNJ-NEWSRXKRSA-N	1	0	360.502	1.894	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C2	ZINC001109584254	929847595	/nfs/dbraw/zinc/84/75/95/929847595.db2.gz	BIIBJRRQKOPPMP-WCVJEAGWSA-N	1	0	351.491	1.461	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNS(=O)(=O)CC	ZINC001109632780	929969559	/nfs/dbraw/zinc/96/95/59/929969559.db2.gz	CEAKAKMXACOZHK-YVSFHVDLSA-N	1	0	371.547	1.640	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2	ZINC001109646252	930000390	/nfs/dbraw/zinc/00/03/90/930000390.db2.gz	OWYQFBRZJMGNPS-ORQFMDKSSA-N	1	0	374.485	1.367	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCN(CC(F)F)C1)C2	ZINC001109648753	930009159	/nfs/dbraw/zinc/00/91/59/930009159.db2.gz	AKWCCHRUBKKDBD-YVSFHVDLSA-N	1	0	371.472	1.888	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2	ZINC001109796945	930463771	/nfs/dbraw/zinc/46/37/71/930463771.db2.gz	NEBKFNYPQGVFMM-MHORFTMASA-N	1	0	362.518	1.275	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nc(C)ncc1Cl)C2	ZINC001109802858	930491773	/nfs/dbraw/zinc/49/17/73/930491773.db2.gz	MHXNTVOEHGKYFF-SNPRPXQTSA-N	1	0	350.850	1.976	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1COC(=O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1	ZINC000771286945	930550151	/nfs/dbraw/zinc/55/01/51/930550151.db2.gz	HXTLONLJUCPBDX-KGLIPLIRSA-N	1	0	362.376	1.959	20	30		FDEDRO
C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCC(=O)N(C)CCC#N	ZINC000771457004	930661469	/nfs/dbraw/zinc/66/14/69/930661469.db2.gz	ISAYATZOCZLRNZ-HUUCEWRRSA-N	1	0	352.479	1.984	20	30		FDEDRO
C=C(Br)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2	ZINC001109977687	930937019	/nfs/dbraw/zinc/93/70/19/930937019.db2.gz	VDUTZVPVIVYYNX-RDBSUJKOSA-N	1	0	360.296	1.195	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H](CNc2nc(C)cc(C#N)n2)C2CC2)CC[N@@H+]1C	ZINC001110001973	931004112	/nfs/dbraw/zinc/00/41/12/931004112.db2.gz	QULDIJRGXBBUHK-GVDBMIGSSA-N	1	0	356.474	1.694	20	30		FDEDRO
C=CCN1CC[C@H](N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCC[NH+](C)C)C3)C1=O	ZINC001110007383	931070796	/nfs/dbraw/zinc/07/07/96/931070796.db2.gz	UENMTNWDVLSJJK-OWSLCNJRSA-N	1	0	362.518	1.227	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)N(C)Cc2cccc(OC)c2)CC1	ZINC000772112472	931080894	/nfs/dbraw/zinc/08/08/94/931080894.db2.gz	BWXLQCGAAMUBRU-UHFFFAOYSA-N	1	0	358.438	1.542	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)CCC)C2	ZINC001110019448	931121042	/nfs/dbraw/zinc/12/10/42/931121042.db2.gz	XYNURSPELABSAP-YVSFHVDLSA-N	1	0	350.507	1.131	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1nc(C)n(C)c1=O)C2	ZINC001110052777	931274104	/nfs/dbraw/zinc/27/41/04/931274104.db2.gz	YFACKMVXBKAWSY-IKGGRYGDSA-N	1	0	361.490	1.358	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CC(=O)NC(=O)C1)C2	ZINC001112545019	931425083	/nfs/dbraw/zinc/42/50/83/931425083.db2.gz	KSKXCLODNJFUKD-GUYCJALGSA-N	1	0	353.850	1.010	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn3nc(C)cc3[nH]c1=O)C2	ZINC001112545335	931428394	/nfs/dbraw/zinc/42/83/94/931428394.db2.gz	CNLQXCIVJUADHR-YWZLYKJASA-N	1	0	367.453	1.186	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)C1CCOCC1)C2	ZINC001112547930	931449379	/nfs/dbraw/zinc/44/93/79/931449379.db2.gz	YUNBAQISPOUXCF-PXNSSMCTSA-N	1	0	363.502	1.324	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cncc(OCCOC)c1)C2	ZINC001112554537	931519971	/nfs/dbraw/zinc/51/99/71/931519971.db2.gz	WSQZPLPPMDRRMS-PXNSSMCTSA-N	1	0	357.454	1.572	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn(C3CCOCC3)nn1)C2	ZINC001112558692	931579777	/nfs/dbraw/zinc/57/97/77/931579777.db2.gz	SMXOVVCABYFOIH-KXBFYZLASA-N	1	0	359.474	1.648	20	30		FDEDRO
O=C(Cc1nnc[nH]1)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#Cc2ccccc2)C1	ZINC001112560804	931604664	/nfs/dbraw/zinc/60/46/64/931604664.db2.gz	QKXDWGMKNDCRIX-RXVVDRJESA-N	1	0	363.465	1.617	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1)C1CCCC1	ZINC001112560911	931605133	/nfs/dbraw/zinc/60/51/33/931605133.db2.gz	WREXGCGGFDUWPK-SYNHAJSKSA-N	1	0	360.502	1.671	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1cncn1C)C2	ZINC001112571960	931652592	/nfs/dbraw/zinc/65/25/92/931652592.db2.gz	WTLHEDSMINGOIL-PXNSSMCTSA-N	1	0	360.502	1.774	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCN(C)C(C)=O)C2	ZINC001112571355	931654401	/nfs/dbraw/zinc/65/44/01/931654401.db2.gz	RILYLAVDWPYECF-ICSRJNTNSA-N	1	0	363.502	1.113	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CS(=O)(=O)N(C)C)C2	ZINC001112571593	931655560	/nfs/dbraw/zinc/65/55/60/931655560.db2.gz	DKOKODRGNUUYRK-RDJZCZTQSA-N	1	0	357.520	1.062	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1nc(C)n(C)c1=O)C2	ZINC001112572232	931666040	/nfs/dbraw/zinc/66/60/40/931666040.db2.gz	MFABPLFRYFVXLV-LPHOPBHVSA-N	1	0	361.490	1.075	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1csc(C)n1)C2	ZINC001112574915	931699827	/nfs/dbraw/zinc/69/98/27/931699827.db2.gz	HIECHGCVYQBXAD-LPHOPBHVSA-N	1	0	361.511	1.862	20	30		FDEDRO
O=C(CC#Cc1ccccc1)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCNC2=O)C1	ZINC001112583311	931754500	/nfs/dbraw/zinc/75/45/00/931754500.db2.gz	NMWZEJKLJRLENV-JQVVWYNYSA-N	1	0	365.477	1.535	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(CC)CC)C1	ZINC001112588809	931798201	/nfs/dbraw/zinc/79/82/01/931798201.db2.gz	VRPWNSPOJBCICU-PXNSSMCTSA-N	1	0	365.518	1.666	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)c2nnnn2C)C1	ZINC001112588745	931798427	/nfs/dbraw/zinc/79/84/27/931798427.db2.gz	SBZBWWGOYWESFM-MPGHIAIKSA-N	1	0	362.478	1.082	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cnnn2CC)C1	ZINC001112589272	931802802	/nfs/dbraw/zinc/80/28/02/931802802.db2.gz	RZIRDWWBVFZIIJ-GJYPPUQNSA-N	1	0	361.490	1.607	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(C(N)=O)cn1)C2	ZINC001112589558	931806910	/nfs/dbraw/zinc/80/69/10/931806910.db2.gz	GFXHHPHOOMOLJR-KSSFIOAISA-N	1	0	362.861	1.765	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C(C)C)N1CCCC1=O)C2	ZINC001112590255	931835529	/nfs/dbraw/zinc/83/55/29/931835529.db2.gz	LPTJDWRIWUKUTA-CUWPLCDZSA-N	1	0	359.514	1.875	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(C(N)=O)nc1)C2	ZINC001112590717	931840422	/nfs/dbraw/zinc/84/04/22/931840422.db2.gz	MUQWDCGGZGSWKQ-JXFKEZNVSA-N	1	0	356.470	1.979	20	30		FDEDRO
C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)NCc2cc(C#N)ccc2F)C1	ZINC000787909719	932462051	/nfs/dbraw/zinc/46/20/51/932462051.db2.gz	MOBORQAJXIKSKW-HNNXBMFYSA-N	1	0	374.460	1.942	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C	ZINC000787901696	932481252	/nfs/dbraw/zinc/48/12/52/932481252.db2.gz	CHLXSHHMFCMOCN-CYBMUJFWSA-N	1	0	360.296	1.782	20	30		FDEDRO
COc1cc(C)cc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)c1O	ZINC000788043041	932528153	/nfs/dbraw/zinc/52/81/53/932528153.db2.gz	AKDIKLLAEAVAQR-UHFFFAOYSA-N	1	0	355.442	1.945	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccc(OC)cc2OCCOC)CC1	ZINC000788511038	932719123	/nfs/dbraw/zinc/71/91/23/932719123.db2.gz	LHBNJRXJDYOJMK-UHFFFAOYSA-N	1	0	360.454	1.938	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)N[C@H](CC)C[NH+]2CCCC2)n1	ZINC000789088764	932933397	/nfs/dbraw/zinc/93/33/97/932933397.db2.gz	QPQFBFOUMMFDNS-QGZVFWFLSA-N	1	0	361.490	1.549	20	30		FDEDRO
N#Cc1ccccc1CN1C(=O)CN(C[N@@H+]2CC[C@@]3(C2)CCCOC3)C1=O	ZINC000789543689	933080907	/nfs/dbraw/zinc/08/09/07/933080907.db2.gz	WWTHKJNCUIWMKZ-HXUWFJFHSA-N	1	0	368.437	1.782	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2[nH]nc(CC)c2Br)CC1	ZINC000789962368	933270682	/nfs/dbraw/zinc/27/06/82/933270682.db2.gz	RFHBJXQTOTVLQB-UHFFFAOYSA-N	1	0	353.264	1.952	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](CCCCCn2cncn2)CC1	ZINC001113422163	933753757	/nfs/dbraw/zinc/75/37/57/933753757.db2.gz	LECJWRWHXHHTAF-ROUUACIJSA-N	1	0	361.490	1.574	20	30		FDEDRO
Cc1nc2c([nH]1)C[C@H](C(=O)N[C@@H]1CN(CC#N)C[C@H]1c1ccccc1)CC2	ZINC001086596067	933926617	/nfs/dbraw/zinc/92/66/17/933926617.db2.gz	IWXCSZWSXAGSSQ-FUHIMQAGSA-N	1	0	363.465	1.931	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)C1	ZINC001086598073	933981740	/nfs/dbraw/zinc/98/17/40/933981740.db2.gz	NXIKZYIRBKKFIO-GBESFXJTSA-N	1	0	368.481	1.385	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@@H](CCCCOC)c2ccccc2)CC1	ZINC000791611249	934065439	/nfs/dbraw/zinc/06/54/39/934065439.db2.gz	OYDNBYMUKREZLE-FQEVSTJZSA-N	1	0	357.498	1.911	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@H](CCCCOC)c2ccccc2)CC1	ZINC000791611250	934065505	/nfs/dbraw/zinc/06/55/05/934065505.db2.gz	OYDNBYMUKREZLE-HXUWFJFHSA-N	1	0	357.498	1.911	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2	ZINC001110101428	934267273	/nfs/dbraw/zinc/26/72/73/934267273.db2.gz	OOVRCAAYEWNJNI-MHORFTMASA-N	1	0	362.518	1.084	20	30		FDEDRO
C#CCC[C@H](O)CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2	ZINC000822679124	945154563	/nfs/dbraw/zinc/15/45/63/945154563.db2.gz	AROOHQAJDBUXFP-ZJOUEHCJSA-N	1	0	356.466	1.416	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccnc3nc(C)nn32)C1	ZINC001086619379	938354656	/nfs/dbraw/zinc/35/46/56/938354656.db2.gz	NHHFHXGMFBHABE-DLBZAZTESA-N	1	0	362.437	1.817	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCN2C(C)=O)C1	ZINC001086620399	938359476	/nfs/dbraw/zinc/35/94/76/938359476.db2.gz	OXYLUNMSDQLWIB-ZCNNSNEGSA-N	1	0	353.466	1.605	20	30		FDEDRO
C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(F)cc2OCC#N)[C@H](C)C1	ZINC000794235594	938374371	/nfs/dbraw/zinc/37/43/71/938374371.db2.gz	AKXHULCCWNXCEW-CHWSQXEVSA-N	1	0	350.394	1.647	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CCc2ccccc2OC)[C@@H](n2ccnn2)C1	ZINC001129422500	938412441	/nfs/dbraw/zinc/41/24/41/938412441.db2.gz	SCOSCHYAWLXHET-MSOLQXFVSA-N	1	0	367.453	1.284	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)c2cccnc2)[C@@H](n2ccnn2)C1	ZINC001129400272	938414448	/nfs/dbraw/zinc/41/44/48/938414448.db2.gz	BSOLSZXSUHZQRU-JQHSSLGASA-N	1	0	354.458	1.785	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1	ZINC001086622819	938422479	/nfs/dbraw/zinc/42/24/79/938422479.db2.gz	TZMPGVKFXZAMFO-FUHWJXTLSA-N	1	0	350.422	1.001	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCCCCF)C[C@@H]1n1ccnn1	ZINC001129480786	938433868	/nfs/dbraw/zinc/43/38/68/938433868.db2.gz	DNKCNUPRHBFVPO-OAGGEKHMSA-N	1	0	353.442	1.351	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCOCCOC)[C@@H](n2ccnn2)C1	ZINC001129480713	938433946	/nfs/dbraw/zinc/43/39/46/938433946.db2.gz	BABPZZLRZJBQSN-BBWFWOEESA-N	1	0	365.478	1.027	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](n2ccnn2)C1	ZINC001129484938	938440514	/nfs/dbraw/zinc/44/05/14/938440514.db2.gz	QEPLKKRACCABFN-CVEARBPZSA-N	1	0	364.494	1.246	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2[nH]cnc2C)[C@@H](n2ccnn2)C1	ZINC001129490678	938442287	/nfs/dbraw/zinc/44/22/87/938442287.db2.gz	JLGACBBZECBPAJ-CVEARBPZSA-N	1	0	357.462	1.711	20	30		FDEDRO
O=C(c1ccco1)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129525783	938444741	/nfs/dbraw/zinc/44/47/41/938444741.db2.gz	PXLITHVHJLPLDV-MSOLQXFVSA-N	1	0	361.405	1.578	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccccc2F)C[C@@H]1n1ccnn1	ZINC001129533891	938446903	/nfs/dbraw/zinc/44/69/03/938446903.db2.gz	UGRSDFZTNDELKM-SJORKVTESA-N	1	0	359.405	1.275	20	30		FDEDRO
N#CCSCC(=O)N1C[C@@H]([NH2+]CCCC2CCC2)[C@@H](n2ccnn2)C1	ZINC001129603971	938463096	/nfs/dbraw/zinc/46/30/96/938463096.db2.gz	RNQGTZPKPOMTFW-CVEARBPZSA-N	1	0	362.503	1.457	20	30		FDEDRO
CC(C)C(=O)N1C[C@@H]([NH2+]CC#Cc2ccccc2Cl)[C@@H](n2ccnn2)C1	ZINC001129589337	938465634	/nfs/dbraw/zinc/46/56/34/938465634.db2.gz	DJYIHWFJQMBLER-MSOLQXFVSA-N	1	0	371.872	1.981	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cc(C)n(C)n2)C[C@@H]1n1ccnn1	ZINC001129633659	938474429	/nfs/dbraw/zinc/47/44/29/938474429.db2.gz	QZHFTTMVNXGZFM-MSOLQXFVSA-N	1	0	371.489	1.722	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc(C)cn2)C[C@@H]1n1ccnn1	ZINC001129638032	938475815	/nfs/dbraw/zinc/47/58/15/938475815.db2.gz	OPTOJUQNVVKAFP-BBWFWOEESA-N	1	0	357.462	1.179	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cc[nH]c(=O)c2)C[C@@H]1n1ccnn1	ZINC001129737191	938497187	/nfs/dbraw/zinc/49/71/87/938497187.db2.gz	IWRILZUVAWSROV-BMFZPTHFSA-N	1	0	356.430	1.389	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cncc(C(N)=O)c2)C1	ZINC001086624677	938498646	/nfs/dbraw/zinc/49/86/46/938498646.db2.gz	PUCAPMVPHRAHOX-RBUKOAKNSA-N	1	0	364.449	1.954	20	30		FDEDRO
N#Cc1cc(C(=O)N2C[C@@H]([NH2+]CCCCCF)[C@@H](n3ccnn3)C2)c[nH]1	ZINC001129762173	938503139	/nfs/dbraw/zinc/50/31/39/938503139.db2.gz	IDDHYTBJKNRQNR-CVEARBPZSA-N	1	0	359.409	1.273	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H]([NH2+]CCCCCOC)[C@@H](n2ccnn2)C1	ZINC001129777789	938513672	/nfs/dbraw/zinc/51/36/72/938513672.db2.gz	BVNKZIXPMQYOAH-MSOLQXFVSA-N	1	0	361.490	1.630	20	30		FDEDRO
O=C([C@@H]1CC1(F)F)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129811560	938519675	/nfs/dbraw/zinc/51/96/75/938519675.db2.gz	KLMMRYKDZLFMSK-BBWFWOEESA-N	1	0	371.391	1.327	20	30		FDEDRO
CCOC1CC(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@@H]2n2ccnn2)C1	ZINC001129822229	938522247	/nfs/dbraw/zinc/52/22/47/938522247.db2.gz	LLJTXDJBUMSTQE-HIEASXQVSA-N	1	0	359.474	1.094	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CCC2CCCC2)[C@@H](n2ccnn2)C1	ZINC001129830125	938523985	/nfs/dbraw/zinc/52/39/85/938523985.db2.gz	VNGRLNJWFBFPSH-NXHRZFHOSA-N	1	0	359.474	1.238	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2ccncc2C)C[C@@H]1n1ccnn1	ZINC001129846541	938525980	/nfs/dbraw/zinc/52/59/80/938525980.db2.gz	ZZUOYDXPDITEPY-MSOLQXFVSA-N	1	0	354.458	1.532	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn(C3CCC3)c2)C[C@@H]1n1ccnn1	ZINC001129849933	938526630	/nfs/dbraw/zinc/52/66/30/938526630.db2.gz	CNQYCTQBALLQIM-SJORKVTESA-N	1	0	355.446	1.431	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cc(CC)ccn2)C[C@@H]1n1ccnn1	ZINC001129864119	938531988	/nfs/dbraw/zinc/53/19/88/938531988.db2.gz	PRNVICQDYSEGIR-MSOLQXFVSA-N	1	0	370.457	1.093	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(CC)ccn2)C[C@@H]1n1ccnn1	ZINC001129864361	938532348	/nfs/dbraw/zinc/53/23/48/938532348.db2.gz	XBVMGRCLOMMQIG-MSOLQXFVSA-N	1	0	354.458	1.857	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H]([NH2+]CCCC2CCC2)[C@@H](n2ccnn2)C1	ZINC001129837850	938535048	/nfs/dbraw/zinc/53/50/48/938535048.db2.gz	NEPDRJYKYAQAKN-MSOLQXFVSA-N	1	0	359.474	1.240	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2(CC(C)C)CC2)C[C@@H]1n1ccnn1	ZINC001129890727	938541620	/nfs/dbraw/zinc/54/16/20/938541620.db2.gz	XZEVZCAMAIGECY-SJORKVTESA-N	1	0	359.474	1.096	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn3cc(C)nc3s2)C[C@@H]1n1ccnn1	ZINC001129892247	938542861	/nfs/dbraw/zinc/54/28/61/938542861.db2.gz	OGYPFZLTIQFQLK-KGLIPLIRSA-N	1	0	371.470	1.527	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H]([NH2+]Cc2ccnn2C)[C@@H](n2ccnn2)C1	ZINC001129867489	938543913	/nfs/dbraw/zinc/54/39/13/938543913.db2.gz	RUUUUSBASPYESZ-MSOLQXFVSA-N	1	0	369.473	1.322	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2scc(C)c2Cl)C[C@@H]1n1ccnn1	ZINC001129867329	938543918	/nfs/dbraw/zinc/54/39/18/938543918.db2.gz	REEHMWDZMHHGJZ-OLZOCXBDSA-N	1	0	363.874	1.980	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccnn2C(F)F)C[C@@H]1n1ccnn1	ZINC001129874501	938545631	/nfs/dbraw/zinc/54/56/31/938545631.db2.gz	ISPIZBKCPNQKBG-OCCSQVGLSA-N	1	0	365.388	1.491	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)CCCC3)C[C@@H]1n1ccnn1	ZINC001129876541	938547025	/nfs/dbraw/zinc/54/70/25/938547025.db2.gz	RYZFNVJLRPCESW-WBVHZDCISA-N	1	0	369.473	1.432	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCCC3)C[C@@H]1n1ccnn1	ZINC001129904557	938548055	/nfs/dbraw/zinc/54/80/55/938548055.db2.gz	ILHPYOSFZHRLKU-SJORKVTESA-N	1	0	355.446	1.042	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)nn2CC)C[C@@H]1n1ccnn1	ZINC001129907184	938549004	/nfs/dbraw/zinc/54/90/04/938549004.db2.gz	WDLVUFDUCWZVDU-AEFFLSMTSA-N	1	0	367.457	1.051	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnc3cc[nH]c3c2)C[C@@H]1n1ccnn1	ZINC001129907169	938549035	/nfs/dbraw/zinc/54/90/35/938549035.db2.gz	VDPFMQMQJSRCQB-MSOLQXFVSA-N	1	0	365.441	1.776	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2nc(C)sc2C)C[C@@H]1n1ccnn1	ZINC001129910293	938549968	/nfs/dbraw/zinc/54/99/68/938549968.db2.gz	MLEAKBHKFNQYFH-CVEARBPZSA-N	1	0	360.487	1.512	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(C(N)=O)cn2)C1	ZINC001086625857	938550575	/nfs/dbraw/zinc/55/05/75/938550575.db2.gz	DIBFPRDTOLSYOP-FUHWJXTLSA-N	1	0	350.422	1.564	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cncc(OC)c2C)C[C@@H]1n1ccnn1	ZINC001129914677	938552498	/nfs/dbraw/zinc/55/24/98/938552498.db2.gz	BUXLPEXJWYUOGW-CVEARBPZSA-N	1	0	356.430	1.222	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cncs2)C[C@@H]1n1ccnn1	ZINC001129902550	938561702	/nfs/dbraw/zinc/56/17/02/938561702.db2.gz	ROZJQFVSSOSRBU-IMJJTQAJSA-N	1	0	360.487	1.674	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2CCC)C[C@@H]1n1ccnn1	ZINC001129919225	938567582	/nfs/dbraw/zinc/56/75/82/938567582.db2.gz	QTPCTZGSOGQTHP-OLMNPRSZSA-N	1	0	371.489	1.964	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ncccc2CC)C[C@@H]1n1ccnn1	ZINC001129920853	938568092	/nfs/dbraw/zinc/56/80/92/938568092.db2.gz	BPYGSHWXXRQBFP-SJORKVTESA-N	1	0	354.458	1.857	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(C(C)C)n2)C[C@@H]1n1ccnn1	ZINC001129924758	938570282	/nfs/dbraw/zinc/57/02/82/938570282.db2.gz	ISOKCMUBZRZIAN-MSOLQXFVSA-N	1	0	352.442	1.475	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2CCC)C[C@@H]1n1ccnn1	ZINC001129924544	938570344	/nfs/dbraw/zinc/57/03/44/938570344.db2.gz	ARVSCIXCOWJLRH-AEFFLSMTSA-N	1	0	371.489	1.586	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2nc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001129926756	938571128	/nfs/dbraw/zinc/57/11/28/938571128.db2.gz	FEKVYRROQRYVEO-OLMNPRSZSA-N	1	0	371.489	1.488	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(Cl)cc2F)C[C@@H]1n1ccnn1	ZINC001129927419	938571722	/nfs/dbraw/zinc/57/17/22/938571722.db2.gz	XGTDPLDHBJFKNP-CVEARBPZSA-N	1	0	361.808	1.749	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3c(cn2)CCCC3)C[C@@H]1n1ccnn1	ZINC001129927254	938571725	/nfs/dbraw/zinc/57/17/25/938571725.db2.gz	SDBAHZUXPMVXQE-MOPGFXCFSA-N	1	0	364.453	1.231	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2ccc(Cl)cc2)C[C@@H]1n1ccnn1	ZINC001129949196	938574075	/nfs/dbraw/zinc/57/40/75/938574075.db2.gz	UIRPVFGDCOACIP-MSOLQXFVSA-N	1	0	371.872	1.929	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(-c3ccco3)on2)C[C@@H]1n1ccnn1	ZINC001129949141	938574118	/nfs/dbraw/zinc/57/41/18/938574118.db2.gz	QOVCMWGBCFCHEB-CABCVRRESA-N	1	0	366.381	1.205	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc3ncccc32)C[C@@H]1n1ccnn1	ZINC001129949200	938574123	/nfs/dbraw/zinc/57/41/23/938574123.db2.gz	UOQYCIHVCAFCHO-MOPGFXCFSA-N	1	0	360.421	1.505	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(C(N)=O)nc2)C1	ZINC001086626498	938576863	/nfs/dbraw/zinc/57/68/63/938576863.db2.gz	QTUIYYIIFBERKH-FUHWJXTLSA-N	1	0	350.422	1.564	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](OCC)C2CCCC2)C[C@@H]1n1ccnn1	ZINC001129957039	938577309	/nfs/dbraw/zinc/57/73/09/938577309.db2.gz	SQNFZMCPBSYJER-SQNIBIBYSA-N	1	0	359.474	1.238	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H]([NH2+]CCOCC(C)C)[C@@H](n2ccnn2)C1	ZINC001129956582	938577391	/nfs/dbraw/zinc/57/73/91/938577391.db2.gz	KOEVOCQKAPLVNX-SJORKVTESA-N	1	0	363.506	1.895	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]([NH2+]CCOCC(F)F)[C@@H](n2ccnn2)C1	ZINC001129959342	938577930	/nfs/dbraw/zinc/57/79/30/938577930.db2.gz	RMHVJJUVNCHCDZ-OLZOCXBDSA-N	1	0	357.405	1.114	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC2(C)C)C[C@@H]1n1ccnn1	ZINC001129961188	938578633	/nfs/dbraw/zinc/57/86/33/938578633.db2.gz	CEGIUHQVYREDRS-ZACQAIPSSA-N	1	0	361.490	1.649	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H]([NH2+]CCCOCC)[C@@H](n2ccnn2)C1	ZINC001129963871	938579256	/nfs/dbraw/zinc/57/92/56/938579256.db2.gz	KAANKSAPXJYYDA-MSOLQXFVSA-N	1	0	361.490	1.630	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2cncc(C)c2)C[C@@H]1n1ccnn1	ZINC001129945061	938580460	/nfs/dbraw/zinc/58/04/60/938580460.db2.gz	AYOZVSJESXADHQ-MSOLQXFVSA-N	1	0	354.458	1.532	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2occ3c2CCC3)C[C@@H]1n1ccnn1	ZINC001129945403	938580687	/nfs/dbraw/zinc/58/06/87/938580687.db2.gz	MHQBJGZTZVEBPX-SJORKVTESA-N	1	0	371.441	1.218	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@@H]1n1ccnn1	ZINC001129978058	938593646	/nfs/dbraw/zinc/59/36/46/938593646.db2.gz	PFVHGLHNJGSHDK-SOLBZPMBSA-N	1	0	365.453	1.495	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(C)nc(OC)c2)C[C@@H]1n1ccnn1	ZINC001129980557	938595702	/nfs/dbraw/zinc/59/57/02/938595702.db2.gz	NRAYQUUDYDIXBQ-SJORKVTESA-N	1	0	370.457	1.612	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(F)ccc(C)c2F)C[C@@H]1n1ccnn1	ZINC001129995815	938604397	/nfs/dbraw/zinc/60/43/97/938604397.db2.gz	KYAGSPNGEGQRLK-CABCVRRESA-N	1	0	359.380	1.543	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@@H]1n1ccnn1	ZINC001129996017	938604817	/nfs/dbraw/zinc/60/48/17/938604817.db2.gz	WZECECZEHUYYMF-CABCVRRESA-N	1	0	361.425	1.542	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccn(C)c2C)C[C@@H]1n1ccnn1	ZINC001130000770	938607956	/nfs/dbraw/zinc/60/79/56/938607956.db2.gz	NSUNOJLMMSKTKM-QGTPRVQTSA-N	1	0	356.474	1.935	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2cc(C)on2)C[C@@H]1n1ccnn1	ZINC001130000762	938608053	/nfs/dbraw/zinc/60/80/53/938608053.db2.gz	NNGZXWZCFDNTQP-SJORKVTESA-N	1	0	358.446	1.515	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]([NH2+]CCO[C@@H]2CC2(F)F)[C@@H](n2ccnn2)C1	ZINC001129987115	938610277	/nfs/dbraw/zinc/61/02/77/938610277.db2.gz	YVAIDRQRFDOIHK-QLFBSQMISA-N	1	0	369.416	1.400	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](c3nccn3C)C2)CC1	ZINC000804896738	938611872	/nfs/dbraw/zinc/61/18/72/938611872.db2.gz	WXNVOEDKLGFLEQ-MRXNPFEDSA-N	1	0	373.501	1.283	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3ncccc3c2)C[C@@H]1n1ccnn1	ZINC001129989955	938612192	/nfs/dbraw/zinc/61/21/92/938612192.db2.gz	DYAHLOYAGPHEDB-MOPGFXCFSA-N	1	0	360.421	1.505	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCCO2)[C@@H](n2ccnn2)C1	ZINC001130022949	938621079	/nfs/dbraw/zinc/62/10/79/938621079.db2.gz	RGGBQAJCISKALQ-BBWFWOEESA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3ccncc3C2)C[C@@H]1n1ccnn1	ZINC001130007615	938624945	/nfs/dbraw/zinc/62/49/45/938624945.db2.gz	NGDXZEYDPBLEAQ-NXHRZFHOSA-N	1	0	352.442	1.006	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC/C=C\CC)[C@@H](n2ccnn2)C1	ZINC001130009241	938625848	/nfs/dbraw/zinc/62/58/48/938625848.db2.gz	DSUIROKUTKNOOX-QXINXSKUSA-N	1	0	359.474	1.567	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(CCCCC)n[nH]2)C[C@@H]1n1ccnn1	ZINC001130040720	938627210	/nfs/dbraw/zinc/62/72/10/938627210.db2.gz	IKESJXWSIJQJKS-MSOLQXFVSA-N	1	0	371.489	1.965	20	30		FDEDRO
CC(C)[C@H](C)C(=O)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001130026115	938628782	/nfs/dbraw/zinc/62/87/82/938628782.db2.gz	BHGAJMZQZWHYKI-SXLOBPIMSA-N	1	0	365.481	1.963	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCCCO2)C[C@@H]1n1ccnn1	ZINC001130026174	938629200	/nfs/dbraw/zinc/62/92/00/938629200.db2.gz	DSKOEODXFZMPMR-KURKYZTESA-N	1	0	361.490	1.935	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2scnc2C(C)C)C[C@@H]1n1ccnn1	ZINC001130030468	938632003	/nfs/dbraw/zinc/63/20/03/938632003.db2.gz	BTFNLHRZRTYCGK-KGLIPLIRSA-N	1	0	358.471	1.537	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H]([NH2+]CCCC)[C@@H](n3ccnn3)C2)cc1	ZINC001130030804	938632102	/nfs/dbraw/zinc/63/21/02/938632102.db2.gz	RTRWMLFULSIMLM-MOPGFXCFSA-N	1	0	367.453	1.746	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnn(C(F)F)c2)C[C@@H]1n1ccnn1	ZINC001130056991	938641195	/nfs/dbraw/zinc/64/11/95/938641195.db2.gz	DEVOHBYJKJWNAB-KGLIPLIRSA-N	1	0	365.388	1.491	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cn(CCC)nc2C)C[C@@H]1n1ccnn1	ZINC001130057126	938646306	/nfs/dbraw/zinc/64/63/06/938646306.db2.gz	JUWQIRKXPOKQDE-MSOLQXFVSA-N	1	0	371.489	1.815	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)c2cccnn2)C[C@@H]1n1ccnn1	ZINC001130049985	938648037	/nfs/dbraw/zinc/64/80/37/938648037.db2.gz	CGPMRVBNJADQIE-SJORKVTESA-N	1	0	357.462	1.694	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C2(CC)CCOCC2)C[C@@H]1n1ccnn1	ZINC001130062724	938651001	/nfs/dbraw/zinc/65/10/01/938651001.db2.gz	UJYJCKXFGGOASM-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2scnc2C)C[C@@H]1n1ccnn1	ZINC001130065651	938653418	/nfs/dbraw/zinc/65/34/18/938653418.db2.gz	MXHSARSRWDVWGY-CABCVRRESA-N	1	0	360.487	1.593	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2cccc(COC)c2)C[C@@H]1n1ccnn1	ZINC001130081585	938662983	/nfs/dbraw/zinc/66/29/83/938662983.db2.gz	WVGZLLXHBIVWDU-MOPGFXCFSA-N	1	0	367.453	1.032	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3nc[nH]c3C2)C[C@@H]1n1ccnn1	ZINC001130077660	938670931	/nfs/dbraw/zinc/67/09/31/938670931.db2.gz	TZRQVLOXEVSAOW-OLMNPRSZSA-N	1	0	369.473	1.114	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2coc(C3CCC3)n2)C[C@@H]1n1ccnn1	ZINC001130077782	938671230	/nfs/dbraw/zinc/67/12/30/938671230.db2.gz	ZDOAXIDAQWFWJC-ZBFHGGJFSA-N	1	0	356.430	1.765	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]CCCC=C)[C@@H](n3ccnn3)C2)nc1	ZINC001130091351	938676638	/nfs/dbraw/zinc/67/66/38/938676638.db2.gz	NTVZVVCZCCEVTD-MSOLQXFVSA-N	1	0	350.426	1.276	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n3ccnn3)C2)cn1	ZINC001130091433	938676664	/nfs/dbraw/zinc/67/66/64/938676664.db2.gz	SKDBPVVTUPPRIU-VPIBYOGUSA-N	1	0	356.817	1.062	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc(Cl)cn2)C[C@@H]1n1ccnn1	ZINC001130094116	938678791	/nfs/dbraw/zinc/67/87/91/938678791.db2.gz	CHTQNSXTYUDNBR-CVEARBPZSA-N	1	0	360.849	1.948	20	30		FDEDRO
CC(C)(C)C(=O)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001130096435	938681022	/nfs/dbraw/zinc/68/10/22/938681022.db2.gz	GRXDSQZYIAOETK-MSOLQXFVSA-N	1	0	351.454	1.717	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccccc2OC(C)C)C[C@@H]1n1ccnn1	ZINC001130099517	938682147	/nfs/dbraw/zinc/68/21/47/938682147.db2.gz	GONMHOLGKTUHNM-MSOLQXFVSA-N	1	0	367.453	1.744	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C3CC3)cn2)C[C@@H]1n1ccnn1	ZINC001130107198	938687085	/nfs/dbraw/zinc/68/70/85/938687085.db2.gz	JABDDDBBIVBRIJ-MSOLQXFVSA-N	1	0	350.426	1.229	20	30		FDEDRO
CCCCCCCCC(=O)N1C[C@@H]([NH2+]C[C@@H](C)O)[C@@H](n2ccnn2)C1	ZINC001130109744	938688350	/nfs/dbraw/zinc/68/83/50/938688350.db2.gz	DYBGBWSOTYETAM-ZACQAIPSSA-N	1	0	351.495	1.751	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccccc2OCC)C[C@@H]1n1ccnn1	ZINC001130110008	938689018	/nfs/dbraw/zinc/68/90/18/938689018.db2.gz	PIPICVJCQKNVGK-SJORKVTESA-N	1	0	353.426	1.355	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(NC(N)=O)cc2)C[C@@H]1n1ccnn1	ZINC001130113001	938692895	/nfs/dbraw/zinc/69/28/95/938692895.db2.gz	YRHNWBPKZFQNIA-CVEARBPZSA-N	1	0	369.429	1.000	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2CCC=CCC2)C[C@@H]1n1ccnn1	ZINC001130125392	938696253	/nfs/dbraw/zinc/69/62/53/938696253.db2.gz	LGZSEAFJQXOQIS-MSOLQXFVSA-N	1	0	357.458	1.016	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccnc(C)n2)C[C@@H]1n1ccnn1	ZINC001130129484	938698921	/nfs/dbraw/zinc/69/89/21/938698921.db2.gz	KBHZTFPJBDLOFX-XKQJLSEDSA-N	1	0	355.446	1.387	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)c2)C[C@@H]1n1ccnn1	ZINC001130140279	938712093	/nfs/dbraw/zinc/71/20/93/938712093.db2.gz	SQYJBXPJRDQJQV-JQHSSLGASA-N	1	0	371.489	1.341	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1n1ccnn1	ZINC001130151285	938715638	/nfs/dbraw/zinc/71/56/38/938715638.db2.gz	MJBRUGVATSARJZ-SJORKVTESA-N	1	0	357.462	1.263	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]([NH2+]CCCC2CCC2)[C@@H](n2ccnn2)C1	ZINC001130151089	938715744	/nfs/dbraw/zinc/71/57/44/938715744.db2.gz	IGMYLHYBENMYDW-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]([NH2+]CC2CC(F)(F)C2)[C@@H](n2ccnn2)C1	ZINC001130151385	938716022	/nfs/dbraw/zinc/71/60/22/938716022.db2.gz	OUWFJMVPRPYMKS-CABCVRRESA-N	1	0	369.416	1.258	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CC2CC(C)(C)C2)[C@@H](n2ccnn2)C1	ZINC001130151372	938716038	/nfs/dbraw/zinc/71/60/38/938716038.db2.gz	OKTYXSXHEXOFLE-UAGQMJEPSA-N	1	0	361.490	1.647	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2[nH]cnc2C)C[C@@H]1n1ccnn1	ZINC001130158555	938719751	/nfs/dbraw/zinc/71/97/51/938719751.db2.gz	LCFBUSCFIWEGMP-CVEARBPZSA-N	1	0	357.462	1.711	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C2CCOCC2)C[C@@H]1n1ccnn1	ZINC001130158348	938719759	/nfs/dbraw/zinc/71/97/59/938719759.db2.gz	DXPQCRYTHRCLBO-JQHSSLGASA-N	1	0	361.490	1.649	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cnn(C)c2)C[C@@H]1n1ccnn1	ZINC001130160989	938721456	/nfs/dbraw/zinc/72/14/56/938721456.db2.gz	LFRDRZNKUGYMLA-UAGQMJEPSA-N	1	0	357.462	1.123	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CC(F)(F)C(F)(F)F)C[C@@H]1n1ccnn1	ZINC001130163849	938722106	/nfs/dbraw/zinc/72/21/06/938722106.db2.gz	VJBVORDKZXPDSX-MNOVXSKESA-N	1	0	365.306	1.231	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccco2)n1	ZINC001130177854	938725765	/nfs/dbraw/zinc/72/57/65/938725765.db2.gz	YHJBWOAERCTXRN-AAEUAGOBSA-N	1	0	365.821	1.542	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(F)cc2)[nH]1	ZINC001130181660	938728786	/nfs/dbraw/zinc/72/87/86/938728786.db2.gz	OOPVRSHIBSVKRL-GJZGRUSLSA-N	1	0	359.405	1.522	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CSCCC)n1	ZINC001130186630	938732245	/nfs/dbraw/zinc/73/22/45/938732245.db2.gz	IFEVDBFMWHFMCV-KBPBESRZSA-N	1	0	365.503	1.050	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CSCCC)[nH]1	ZINC001130187213	938733205	/nfs/dbraw/zinc/73/32/05/938733205.db2.gz	WLTBFBJQHDYLCA-STQMWFEESA-N	1	0	353.492	1.212	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](CC)OCC)[nH]1	ZINC001130191007	938736415	/nfs/dbraw/zinc/73/64/15/938736415.db2.gz	YOEUTTQXSVYZRF-KKUMJFAQSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CC=CC2)[nH]1	ZINC001130195974	938739143	/nfs/dbraw/zinc/73/91/43/938739143.db2.gz	LOTMNSUTECYWMJ-HOTGVXAUSA-N	1	0	359.474	1.815	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccsc2)[nH]1	ZINC001130182816	938741575	/nfs/dbraw/zinc/74/15/75/938741575.db2.gz	DISNFWFVHPKUBS-KBPBESRZSA-N	1	0	359.455	1.282	20	30		FDEDRO
C[C@@H](F)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C#CC2CC2)[nH]1	ZINC001130213114	938750338	/nfs/dbraw/zinc/75/03/38/938750338.db2.gz	UOXCDHRUPRCOBY-SNPRPXQTSA-N	1	0	363.437	1.045	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C3CC3)CC2)[nH]1	ZINC001130215994	938752361	/nfs/dbraw/zinc/75/23/61/938752361.db2.gz	LSQLMXSJNMRWNE-GJZGRUSLSA-N	1	0	359.474	1.649	20	30		FDEDRO
C#CCCCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCC)[nH]1	ZINC001130224765	938758565	/nfs/dbraw/zinc/75/85/65/938758565.db2.gz	ASRWQHONCGRXQO-HOTGVXAUSA-N	1	0	361.490	1.877	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCF)[nH]1	ZINC001130224824	938758999	/nfs/dbraw/zinc/75/89/99/938758999.db2.gz	DEMOOSLIMUANME-KBPBESRZSA-N	1	0	353.442	1.599	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cocc2C)[nH]1	ZINC001130227554	938761253	/nfs/dbraw/zinc/76/12/53/938761253.db2.gz	DHUGWIZZFSVCPX-ZFWWWQNUSA-N	1	0	359.430	1.674	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC)[nH]1	ZINC001130230360	938763852	/nfs/dbraw/zinc/76/38/52/938763852.db2.gz	UVPQEGYECARNMB-SUNYJGFJSA-N	1	0	365.478	1.132	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCOC)[nH]1	ZINC001130232903	938765249	/nfs/dbraw/zinc/76/52/49/938765249.db2.gz	SLRWUIQRHOXTKT-KKUMJFAQSA-N	1	0	365.478	1.132	20	30		FDEDRO
C=CCCC1(C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CC=C)[nH]2)CC1	ZINC001130235176	938766478	/nfs/dbraw/zinc/76/64/78/938766478.db2.gz	WUNDWFVFWJYPPF-GJZGRUSLSA-N	1	0	359.474	1.815	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2ccccc2C)[nH]1	ZINC001130248942	938773281	/nfs/dbraw/zinc/77/32/81/938773281.db2.gz	BGCGGOOEBSOQOL-IRXDYDNUSA-N	1	0	369.469	1.620	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(C)cc2)n1	ZINC001130251191	938774240	/nfs/dbraw/zinc/77/42/40/938774240.db2.gz	HPCDPLXWLZQIHM-IRXDYDNUSA-N	1	0	367.453	1.529	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C)ccc2C)n1	ZINC001130251392	938774453	/nfs/dbraw/zinc/77/44/53/938774453.db2.gz	RIVHOBGSHHQYRI-RDJZCZTQSA-N	1	0	367.453	1.447	20	30		FDEDRO
C=CCO[C@H](C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(=C)C)[nH]1	ZINC001130251318	938774476	/nfs/dbraw/zinc/77/44/76/938774476.db2.gz	NGYNVHFEYZQRFS-ILXRZTDVSA-N	1	0	363.462	1.050	20	30		FDEDRO
CC(C)OCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)C#N)CC1	ZINC001130282047	938779658	/nfs/dbraw/zinc/77/96/58/938779658.db2.gz	OXICFSDQGYJEIE-LESCRADOSA-N	1	0	364.490	1.046	20	30		FDEDRO
C=CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@@H](C)OC)CC1	ZINC001130276456	938787284	/nfs/dbraw/zinc/78/72/84/938787284.db2.gz	BCEFYNNDECZFKJ-MDYRTPRTSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC2CC2)CC1	ZINC001130287793	938792651	/nfs/dbraw/zinc/79/26/51/938792651.db2.gz	DXUJHMHCBUEXDR-UXPWSPDFSA-N	1	0	363.502	1.199	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH+](CC#CC)CC2)CCC1	ZINC001130290512	938795071	/nfs/dbraw/zinc/79/50/71/938795071.db2.gz	AMOGJGVPEUVROR-QUCCMNQESA-N	1	0	369.509	1.679	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2(CC(C)C)CC2)CC1	ZINC001130290950	938795579	/nfs/dbraw/zinc/79/55/79/938795579.db2.gz	RHJNRFMORWTJDE-MJGOQNOKSA-N	1	0	359.514	1.921	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](OC)C(C)C)CC1	ZINC001130299107	938799279	/nfs/dbraw/zinc/79/92/79/938799279.db2.gz	XQQXFGUKCCORKN-NEWSRXKRSA-N	1	0	365.518	1.709	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+]([C@@H](C)COC)CC1	ZINC001130299013	938799289	/nfs/dbraw/zinc/79/92/89/938799289.db2.gz	SBJRCSNKEVWOGJ-VPWXQRGCSA-N	1	0	365.518	1.853	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1)[C@@H]1CCCO1	ZINC000805636398	938799486	/nfs/dbraw/zinc/79/94/86/938799486.db2.gz	PKHWQLWBYSRPRQ-ULQDDVLXSA-N	1	0	363.502	1.300	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@H](C)COC)CC1	ZINC001130304859	938803128	/nfs/dbraw/zinc/80/31/28/938803128.db2.gz	CXMWFFQDLAIORG-GMBSWORKSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2ccncn2)CC1	ZINC001130305409	938803926	/nfs/dbraw/zinc/80/39/26/938803926.db2.gz	YYWKGCSGMVEQLK-APWZRJJASA-N	1	0	371.485	1.532	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(OC)c(OC)c2C)CC1	ZINC000805832198	938827805	/nfs/dbraw/zinc/82/78/05/938827805.db2.gz	RYEMLTYHKXJZRD-INIZCTEOSA-N	1	0	359.470	1.440	20	30		FDEDRO
CNC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1	ZINC000805825952	938833743	/nfs/dbraw/zinc/83/37/43/938833743.db2.gz	LCJRSKKBXSOSBW-IRXDYDNUSA-N	1	0	361.442	1.703	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)o2)C[C@H]1c1cn(C)cn1	ZINC001130490276	938880990	/nfs/dbraw/zinc/88/09/90/938880990.db2.gz	FBDNQFJJGJTTSF-DOTOQJQBSA-N	1	0	358.442	1.722	20	30		FDEDRO
CC/C=C/CC[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@H]1c1cn(C)cn1	ZINC001130502241	938885100	/nfs/dbraw/zinc/88/51/00/938885100.db2.gz	CYMUVFAQUHHUFO-PQAMPZAHSA-N	1	0	361.515	1.917	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC=C(Cl)Cl)C1	ZINC001130531760	938900418	/nfs/dbraw/zinc/90/04/18/938900418.db2.gz	FLSJNLQLJVMCDR-GMXVVIOVSA-N	1	0	356.257	1.783	20	30		FDEDRO
CC(C)CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1c1cn(C)cn1	ZINC001130546529	938901598	/nfs/dbraw/zinc/90/15/98/938901598.db2.gz	GIAIRGQZSWWEHX-SOLBZPMBSA-N	1	0	361.490	1.526	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCC[C@H](C)O)C1	ZINC001130573850	939874220	/nfs/dbraw/zinc/87/42/20/939874220.db2.gz	BUTPMAGMLGVNIT-JENIJYKNSA-N	1	0	360.502	1.659	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cccnc2)C1	ZINC001130574201	939874685	/nfs/dbraw/zinc/87/46/85/939874685.db2.gz	NGMGGMMRMZXHDU-HQRMLTQVSA-N	1	0	369.469	1.226	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCC(C)(C)C)C1	ZINC001130586890	939886644	/nfs/dbraw/zinc/88/66/44/939886644.db2.gz	BINBLAGQTISFGG-FUHWJXTLSA-N	1	0	360.502	1.780	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@@H](C)CCC=C)C1	ZINC001130587337	939887469	/nfs/dbraw/zinc/88/74/69/939887469.db2.gz	KNPOYGDMJOGYIV-JENIJYKNSA-N	1	0	358.486	1.699	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)nc(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130600858	939895647	/nfs/dbraw/zinc/89/56/47/939895647.db2.gz	OVTTXFJGRSWWTR-PKOBYXMFSA-N	1	0	351.454	1.653	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C/C=C\Cl)C1	ZINC001130592835	939899941	/nfs/dbraw/zinc/89/99/41/939899941.db2.gz	HJKXUUOBWQCUCM-SBURYJAWSA-N	1	0	350.850	1.097	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cncc(COC)c2)C[C@H]1c1cn(C)cn1	ZINC001130610286	939907683	/nfs/dbraw/zinc/90/76/83/939907683.db2.gz	GMCHLLQIYMKFNG-PKOBYXMFSA-N	1	0	367.453	1.183	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2[nH]c(=O)[nH]c2C)C[C@H]1c1cn(C)cn1	ZINC001130614709	939912022	/nfs/dbraw/zinc/91/20/22/939912022.db2.gz	CHSRUEUFVNKRFX-DZGCQCFKSA-N	1	0	358.446	1.321	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2cnc(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130614892	939912398	/nfs/dbraw/zinc/91/23/98/939912398.db2.gz	GNLRQVNELOUKLW-FUHWJXTLSA-N	1	0	368.485	1.268	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ncc(C)cc2OC)C[C@H]1c1cn(C)cn1	ZINC001130607665	939919331	/nfs/dbraw/zinc/91/93/31/939919331.db2.gz	IAKKQAYSTLRDQY-DOTOQJQBSA-N	1	0	369.469	1.906	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc(CC)n2)C[C@H]1c1cn(C)cn1	ZINC001130607959	939920016	/nfs/dbraw/zinc/92/00/16/939920016.db2.gz	UNSOFSIZXZRCFU-QFBILLFUSA-N	1	0	351.454	1.599	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cncc(CC)c2)C[C@H]1c1cn(C)cn1	ZINC001130628352	939921104	/nfs/dbraw/zinc/92/11/04/939921104.db2.gz	MUFUESYAOCJCJT-PKOBYXMFSA-N	1	0	351.454	1.599	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cncn2C)C[C@H]1c1cn(C)cn1	ZINC001130623538	939921545	/nfs/dbraw/zinc/92/15/45/939921545.db2.gz	CTVCRCOQLPGCJI-YQQAZPJKSA-N	1	0	356.474	1.706	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccn3ccnc3c2)C[C@H]1c1cn(C)cn1	ZINC001130625989	939923763	/nfs/dbraw/zinc/92/37/63/939923763.db2.gz	FSLBCZJGSFQXRS-FUHWJXTLSA-N	1	0	364.453	1.842	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cncc2C)C[C@H]1c1cn(C)cn1	ZINC001130626331	939924066	/nfs/dbraw/zinc/92/40/66/939924066.db2.gz	JEOZUTLMPVHFKC-HHXXYDBFSA-N	1	0	370.501	1.864	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccccc2COC)C[C@H]1c1cn(C)cn1	ZINC001130621720	939931354	/nfs/dbraw/zinc/93/13/54/939931354.db2.gz	AOVMAZYYZZSYDV-AZUAARDMSA-N	1	0	366.465	1.788	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccnn2C)C[C@H]1c1cn(C)cn1	ZINC001130630578	939934935	/nfs/dbraw/zinc/93/49/35/939934935.db2.gz	OSGYGAWXNUFKOE-XLMAVXFVSA-N	1	0	368.485	1.417	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2occ3c2CCC3)C[C@H]1c1cn(C)cn1	ZINC001130632760	939936246	/nfs/dbraw/zinc/93/62/46/939936246.db2.gz	PECCLPGCKZSCRH-FUHWJXTLSA-N	1	0	352.438	1.723	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(C)c(C)n[nH]c2=O)C[C@H]1c1cn(C)cn1	ZINC001130637597	939939381	/nfs/dbraw/zinc/93/93/81/939939381.db2.gz	BDOHBOAIVYAPAW-GOEBONIOSA-N	1	0	370.457	1.306	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](OCC)C2CCCC2)C[C@H]1c1cn(C)cn1	ZINC001130637622	939939600	/nfs/dbraw/zinc/93/96/00/939939600.db2.gz	CIMFMBVJBYTCFN-UHOSZYNNSA-N	1	0	358.486	1.533	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)COCC(F)F)C[C@H]1c1cn(C)cn1	ZINC001130638042	939940491	/nfs/dbraw/zinc/94/04/91/939940491.db2.gz	ZAVQIVMYHBDNHT-OFQRWUPVSA-N	1	0	370.444	1.941	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2ccc(=O)[nH]c2)C[C@H]1c1cn(C)cn1	ZINC001130649385	939944617	/nfs/dbraw/zinc/94/46/17/939944617.db2.gz	IKOFHUUMHPLPOC-FUHWJXTLSA-N	1	0	369.469	1.614	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2ccc(=O)[nH]c2)C[C@H]1c1cn(C)cn1	ZINC001130649683	939944908	/nfs/dbraw/zinc/94/49/08/939944908.db2.gz	SNUOMJJNINQZQG-FUHWJXTLSA-N	1	0	367.453	1.061	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCn2cccn2)C1	ZINC001130652395	939946804	/nfs/dbraw/zinc/94/68/04/939946804.db2.gz	SGGVBPHVVSOFEY-JENIJYKNSA-N	1	0	370.501	1.803	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1c1cn(C)cn1	ZINC001130654545	939948244	/nfs/dbraw/zinc/94/82/44/939948244.db2.gz	LJWWBZXRPZVSHZ-DZGCQCFKSA-N	1	0	350.413	1.763	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c(C)cnn2C)C[C@H]1c1cn(C)cn1	ZINC001130642683	939950085	/nfs/dbraw/zinc/95/00/85/939950085.db2.gz	ZGHFLJYDCFHPNU-DOTOQJQBSA-N	1	0	356.474	1.626	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnnn2C)C1	ZINC001130656623	939960853	/nfs/dbraw/zinc/96/08/53/939960853.db2.gz	NEFITOJUEJIEMI-QILLFSRXSA-N	1	0	371.489	1.235	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc3nonc3c2)C[C@H]1c1cn(C)cn1	ZINC001130659039	939964919	/nfs/dbraw/zinc/96/49/19/939964919.db2.gz	BBYIUIIVPIHWPZ-KBXCAEBGSA-N	1	0	364.409	1.177	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C=C)C[C@H]1c1cn(C)cn1	ZINC001130680135	939968491	/nfs/dbraw/zinc/96/84/91/939968491.db2.gz	BAPUMKCEBGHUTH-JFRXWTBNSA-N	1	0	374.485	1.098	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ncn(C(C)(C)C)n2)C[C@H]1c1cn(C)cn1	ZINC001130672278	939970996	/nfs/dbraw/zinc/97/09/96/939970996.db2.gz	KRBSHOWXZYXYQM-GOEBONIOSA-N	1	0	371.489	1.541	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130675173	939973019	/nfs/dbraw/zinc/97/30/19/939973019.db2.gz	PCJHGPNBTDQIJN-SUMWQHHRSA-N	1	0	370.457	1.011	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@@H]2CCOC2)C1	ZINC001130685058	939974455	/nfs/dbraw/zinc/97/44/55/939974455.db2.gz	BWVIJRNKDNSLKT-XYJFISCASA-N	1	0	360.502	1.943	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCF)C1	ZINC001130687552	939977085	/nfs/dbraw/zinc/97/70/85/939977085.db2.gz	FTPLFCDPCODBHR-ONIAQPFYSA-N	1	0	364.465	1.645	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc(C3CC3)nc2)C[C@H]1c1cn(C)cn1	ZINC001130687704	939977388	/nfs/dbraw/zinc/97/73/88/939977388.db2.gz	MZVZNZKGXRZBJZ-FUHWJXTLSA-N	1	0	366.469	1.861	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cn2ccnc2C(C)C)C[C@H]1c1cn(C)cn1	ZINC001130687610	939977406	/nfs/dbraw/zinc/97/74/06/939977406.db2.gz	ITRKQUHVLIVPKM-FUHWJXTLSA-N	1	0	368.485	1.348	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2coc(C3CC3)n2)C[C@H]1c1cn(C)cn1	ZINC001130687710	939977427	/nfs/dbraw/zinc/97/74/27/939977427.db2.gz	NFGKUDYVEJQPOI-GOEBONIOSA-N	1	0	353.426	1.507	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)[nH]c2=O)C[C@H]1c1cn(C)cn1	ZINC001130683026	939982984	/nfs/dbraw/zinc/98/29/84/939982984.db2.gz	VDRQZNJCHQOWDL-DOTOQJQBSA-N	1	0	355.442	1.603	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)CC(C)C)C[C@H]1c1cn(C)cn1	ZINC001130704105	939984786	/nfs/dbraw/zinc/98/47/86/939984786.db2.gz	DOWKWRFDXOWLOD-ZIFCJYIRSA-N	1	0	360.502	1.636	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(CC)CCOCC2)C[C@H]1c1cn(C)cn1	ZINC001130706923	939988826	/nfs/dbraw/zinc/98/88/26/939988826.db2.gz	ZUXIWTKXWCPFLD-FUHWJXTLSA-N	1	0	358.486	1.534	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCn2ccnc2C)C[C@H]1c1cn(C)cn1	ZINC001130695098	939989719	/nfs/dbraw/zinc/98/97/19/939989719.db2.gz	DMICDSLAOIIXNU-PKOBYXMFSA-N	1	0	370.501	1.866	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCN(C)c2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130698164	939992321	/nfs/dbraw/zinc/99/23/21/939992321.db2.gz	CBDKNAHJUZTWCD-AZUAARDMSA-N	1	0	365.481	1.464	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCC(=O)N(C)C)C[C@H]1c1cn(C)cn1	ZINC001130714783	940006828	/nfs/dbraw/zinc/00/68/28/940006828.db2.gz	JPEKWBBPEWMSPQ-DOTOQJQBSA-N	1	0	361.490	1.139	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]C/C=C/Cl)C2)cn1	ZINC001130714874	940007176	/nfs/dbraw/zinc/00/71/76/940007176.db2.gz	NDZHMDCYZOJFMX-VCUNKILJSA-N	1	0	369.856	1.747	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2nocc2C)C[C@H]1c1cn(C)cn1	ZINC001130708442	940014434	/nfs/dbraw/zinc/01/44/34/940014434.db2.gz	QBGUBPGZXNPITB-GOEBONIOSA-N	1	0	359.430	1.117	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2nccs2)C[C@H]1c1cn(C)cn1	ZINC001130729124	940017841	/nfs/dbraw/zinc/01/78/41/940017841.db2.gz	WBGBLGWHGXYSQB-GOEBONIOSA-N	1	0	359.499	1.970	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cncnc2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130721466	940025049	/nfs/dbraw/zinc/02/50/49/940025049.db2.gz	IWAVEPXPLVXTII-FUHWJXTLSA-N	1	0	364.453	1.309	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C2(CCOC)CCCC2)C[C@H]1c1cn(C)cn1	ZINC001130736438	940037248	/nfs/dbraw/zinc/03/72/48/940037248.db2.gz	FBHPIXOASPRGMJ-FUHWJXTLSA-N	1	0	358.486	1.534	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CN(C)c2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130736989	940038456	/nfs/dbraw/zinc/03/84/56/940038456.db2.gz	SPIARWPJUJOFFC-AZUAARDMSA-N	1	0	365.481	1.464	20	30		FDEDRO
C#CCN(Cc1ccccc1)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000806773454	940041599	/nfs/dbraw/zinc/04/15/99/940041599.db2.gz	PNYUJJRZWNEABV-UHFFFAOYSA-N	1	0	370.497	1.774	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1c1cn(C)cn1	ZINC001130739721	940041758	/nfs/dbraw/zinc/04/17/58/940041758.db2.gz	LPQSZEGQVGTJHJ-SOLBZPMBSA-N	1	0	356.474	1.556	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COC)n2)O1	ZINC001130745360	940049504	/nfs/dbraw/zinc/04/95/04/940049504.db2.gz	XMUCHCBWOCSCPD-LSDHHAIUSA-N	1	0	367.494	1.847	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CCCO1	ZINC000806788978	940050557	/nfs/dbraw/zinc/05/05/57/940050557.db2.gz	ZZSFNGIBFCLCSQ-SQNIBIBYSA-N	1	0	361.486	1.197	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)/C=C(\C)C3CC3)n2)O1	ZINC001130759597	940086885	/nfs/dbraw/zinc/08/68/85/940086885.db2.gz	ALLNXMCFONFFNW-LSALWYQZSA-N	1	0	357.458	1.610	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cnn(C)c3C)C2)C1=O	ZINC001086646176	940090316	/nfs/dbraw/zinc/09/03/16/940090316.db2.gz	FEIUGGWZBNYCNA-UXLLHSPISA-N	1	0	359.474	1.004	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H](C)OC)n2)O1	ZINC001130769272	940105979	/nfs/dbraw/zinc/10/59/79/940105979.db2.gz	ARJQWAJLOATACM-SOUVJXGZSA-N	1	0	365.478	1.622	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cnccc3C)n2)O1	ZINC001130772122	940111116	/nfs/dbraw/zinc/11/11/16/940111116.db2.gz	ACWPRUCDPZEERS-GOEBONIOSA-N	1	0	368.441	1.271	20	30		FDEDRO
C[C@@H](F)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C#CC3CC3)n2)O1	ZINC001130785035	940119503	/nfs/dbraw/zinc/11/95/03/940119503.db2.gz	BKBXAXZHMDYIEC-VHDGCEQUSA-N	1	0	363.437	1.392	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](OCC)C(C)C)n2)O1	ZINC001130785736	940120717	/nfs/dbraw/zinc/12/07/17/940120717.db2.gz	YNPAPUQFFZDCDX-SQWLQELKSA-N	1	0	365.478	1.478	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)/C=C\C3CC3)n2)O1	ZINC001130776633	940126469	/nfs/dbraw/zinc/12/64/69/940126469.db2.gz	JBWFBDDQBGVRDN-WREBYIDWSA-N	1	0	365.865	1.949	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C=Cc3ccc[nH]3)n2)O1	ZINC001130777184	940128662	/nfs/dbraw/zinc/12/86/62/940128662.db2.gz	VUWGOSAPBCKXAD-YKHJJTLOSA-N	1	0	356.430	1.458	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H](C)SC)n2)O1	ZINC001130781015	940135807	/nfs/dbraw/zinc/13/58/07/940135807.db2.gz	KQPKQSMXGBVDDM-HZSPNIEDSA-N	1	0	367.519	1.948	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3C[C@@H]3C(F)F)n2)O1	ZINC001130781314	940137132	/nfs/dbraw/zinc/13/71/32/940137132.db2.gz	YIZZCNQGLLICEZ-ZDEQEGDKSA-N	1	0	367.400	1.155	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC(C)(C)C3CC3)n2)O1	ZINC001130783135	940142231	/nfs/dbraw/zinc/14/22/31/940142231.db2.gz	LQXBEBPLUQFGFT-LSDHHAIUSA-N	1	0	359.474	1.690	20	30		FDEDRO
CC(C)=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C#CC(C)C)n2)O1	ZINC001130783456	940142962	/nfs/dbraw/zinc/14/29/62/940142962.db2.gz	YOSUKPKGUDQJNP-JKSUJKDBSA-N	1	0	359.474	1.856	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)CC(F)F)n2)O1	ZINC001130794388	940146149	/nfs/dbraw/zinc/14/61/49/940146149.db2.gz	UWXBWTWPJXKNQO-RWMBFGLXSA-N	1	0	369.416	1.545	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3c(C)oc(C)c3C)n2)O1	ZINC001130794352	940146427	/nfs/dbraw/zinc/14/64/27/940146427.db2.gz	UDLHDRPRHYIBBL-LSDHHAIUSA-N	1	0	371.441	1.696	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(CC=C)CC=C)n2)O1	ZINC001130787148	940155028	/nfs/dbraw/zinc/15/50/28/940155028.db2.gz	BGIYPKLMFPBIJK-JKSUJKDBSA-N	1	0	357.458	1.632	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCCC34CC4)n2)O1	ZINC001130790295	940163117	/nfs/dbraw/zinc/16/31/17/940163117.db2.gz	RTECPHATKCYRSW-HRCADAONSA-N	1	0	371.485	1.834	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)c3ccco3)n2)O1	ZINC001130807489	940182422	/nfs/dbraw/zinc/18/24/22/940182422.db2.gz	ZBPALQSTBXVKJR-VNHYZAJKSA-N	1	0	359.430	1.813	20	30		FDEDRO
C=CCCC1(C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCF)O3)n[nH]2)CC1	ZINC001130802444	940197898	/nfs/dbraw/zinc/19/78/98/940197898.db2.gz	UVPNACBQYQGXBH-UONOGXRCSA-N	1	0	365.453	1.947	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)n2)O1	ZINC001130820425	940227928	/nfs/dbraw/zinc/22/79/28/940227928.db2.gz	WEXLPICUJBUFBY-BYQJMUEESA-N	1	0	369.469	1.156	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC(C)C)C[C@H]1c1cncn1C	ZINC001130893153	940288804	/nfs/dbraw/zinc/28/88/04/940288804.db2.gz	AKXZDMUEZMCBLI-BZUAXINKSA-N	1	0	361.490	1.041	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)C1CCCC1	ZINC000807298085	940311624	/nfs/dbraw/zinc/31/16/24/940311624.db2.gz	SHKQPBCHXYRNRG-UHFFFAOYSA-N	1	0	367.493	1.606	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2occc2C)C[C@H]1c1cncn1C	ZINC001130903210	940312219	/nfs/dbraw/zinc/31/22/19/940312219.db2.gz	ZCTJACKPMFCCBR-HZPDHXFCSA-N	1	0	356.426	1.169	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2ccsc2)C[C@H]1c1cncn1C	ZINC001130905864	940312954	/nfs/dbraw/zinc/31/29/54/940312954.db2.gz	DHYOUXSVSCOSCW-HZPDHXFCSA-N	1	0	358.467	1.329	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CCCC(C)=O)C[C@H]1c1cncn1C	ZINC001130905797	940313104	/nfs/dbraw/zinc/31/31/04/940313104.db2.gz	AHFWMILNOXUALF-IAGOWNOFSA-N	1	0	362.474	1.266	20	30		FDEDRO
CC[C@@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)c1ccco1	ZINC000807312776	940316316	/nfs/dbraw/zinc/31/63/16/940316316.db2.gz	RYJVHJXWSUUBHK-TZMCWYRMSA-N	1	0	358.402	1.184	20	30		FDEDRO
COc1ccc(CNC(=O)NCC(C)(C)N2CC[NH+](C)CC2)cc1C#N	ZINC000747391297	940330927	/nfs/dbraw/zinc/33/09/27/940330927.db2.gz	ROHFMVOXGKHXLO-UHFFFAOYSA-N	1	0	359.474	1.392	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ncccc2C)C1	ZINC001130946551	940358033	/nfs/dbraw/zinc/35/80/33/940358033.db2.gz	VGYAPFYKVFNJNY-SJLPKXTDSA-N	1	0	369.469	1.410	20	30		FDEDRO
CC[C@@H](F)C[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1c1cncn1C	ZINC001130961878	940367417	/nfs/dbraw/zinc/36/74/17/940367417.db2.gz	WLPARTFTVMOQGO-XNRPHZJLSA-N	1	0	358.421	1.566	20	30		FDEDRO
CC[C@@H](C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1c1cncn1C)OC	ZINC001130969405	940377315	/nfs/dbraw/zinc/37/73/15/940377315.db2.gz	ZCOPCMMHBGPTON-GVDBMIGSSA-N	1	0	370.457	1.243	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1c1cncn1C	ZINC001130973079	940384060	/nfs/dbraw/zinc/38/40/60/940384060.db2.gz	OVTQPPUNQVOEET-HZPDHXFCSA-N	1	0	361.490	1.187	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2CC(C)(C)C2)C[C@H]1c1cncn1C	ZINC001130978165	940391020	/nfs/dbraw/zinc/39/10/20/940391020.db2.gz	UYXYPLBTDRCFDV-IAGOWNOFSA-N	1	0	358.486	1.390	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCCCF)C1	ZINC001130983755	940398884	/nfs/dbraw/zinc/39/88/84/940398884.db2.gz	ZLXXVAONLHNSSX-GPMSIDNRSA-N	1	0	366.481	1.771	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccnn2C2CCC2)C[C@H]1c1cncn1C	ZINC001130994224	940416495	/nfs/dbraw/zinc/41/64/95/940416495.db2.gz	NXTCRFDABKIHTM-IAGOWNOFSA-N	1	0	366.469	1.563	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3n[nH]cc32)C[C@H]1c1cncn1C	ZINC001130994336	940417074	/nfs/dbraw/zinc/41/70/74/940417074.db2.gz	UOAYZUMAUPHGEJ-YXJHDRRASA-N	1	0	366.469	1.171	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccncc2C)C[C@H]1c1cncn1C	ZINC001130995810	940419607	/nfs/dbraw/zinc/41/96/07/940419607.db2.gz	LSHUJCYJGNWQJF-QZTJIDSGSA-N	1	0	351.454	1.274	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2ccncc2C)C[C@H]1c1cncn1C	ZINC001130996029	940420190	/nfs/dbraw/zinc/42/01/90/940420190.db2.gz	YJKSNRFZVGEUTJ-QZTJIDSGSA-N	1	0	353.470	1.826	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3c(c2)ncn3C)C1	ZINC001195214005	970769674	/nfs/dbraw/zinc/76/96/74/970769674.db2.gz	BXKAKYJYWWYISR-IAGOWNOFSA-N	1	0	357.458	1.490	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cn2ccc(C)n2)C[C@H]1c1cncn1C	ZINC001131001489	940427945	/nfs/dbraw/zinc/42/79/45/940427945.db2.gz	CTWNOAYSKOKONH-CGTJXYLNSA-N	1	0	368.485	1.169	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCc2ccnn2C)C1	ZINC001131001661	940428152	/nfs/dbraw/zinc/42/81/52/940428152.db2.gz	IEWIRBSTUSNWDV-QZTJIDSGSA-N	1	0	370.501	1.637	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccnn2C(F)F)C[C@H]1c1cncn1C	ZINC001131003779	940429926	/nfs/dbraw/zinc/42/99/26/940429926.db2.gz	PIRZYCISMNDZDX-CHWSQXEVSA-N	1	0	362.384	1.233	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccnn2[C@@H](C)CC)C[C@H]1c1cncn1C	ZINC001131003996	940430352	/nfs/dbraw/zinc/43/03/52/940430352.db2.gz	WOQUNYLUAUAWNJ-GVDBMIGSSA-N	1	0	368.485	1.809	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCn2ccccc2=O)C[C@H]1c1cncn1C	ZINC001131006108	940432659	/nfs/dbraw/zinc/43/26/59/940432659.db2.gz	LLWZXBITWRIVGN-IAGOWNOFSA-N	1	0	369.469	1.132	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c(C)nnn2CC)C[C@H]1c1cncn1C	ZINC001131008225	940434831	/nfs/dbraw/zinc/43/48/31/940434831.db2.gz	XVBRYGVBFILGKO-HZPDHXFCSA-N	1	0	371.489	1.504	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2[nH]c(C)cc2C)C[C@H]1c1cncn1C	ZINC001131017723	940438543	/nfs/dbraw/zinc/43/85/43/940438543.db2.gz	IIDWMUBUQNBDPQ-IAGOWNOFSA-N	1	0	371.485	1.765	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2snnc2C2CC2)C[C@H]1c1cncn1C	ZINC001131012950	940444768	/nfs/dbraw/zinc/44/47/68/940444768.db2.gz	UGLDOMSRLFHTHW-ZIAGYGMSSA-N	1	0	370.482	1.370	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2C=CCCC2)C[C@H]1c1cncn1C	ZINC001131014761	940448267	/nfs/dbraw/zinc/44/82/67/940448267.db2.gz	GWYSSWUCUVFZPE-IPMKNSEASA-N	1	0	370.497	1.700	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@H]1c1cncn1C	ZINC001131031448	940457045	/nfs/dbraw/zinc/45/70/45/940457045.db2.gz	QGJZJONMHRBNMX-DOEOUOAPSA-N	1	0	356.470	1.143	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(C)c(C)n[nH]c2=O)C[C@H]1c1cncn1C	ZINC001131040296	940468454	/nfs/dbraw/zinc/46/84/54/940468454.db2.gz	QUJAWCKWIXMSSQ-HUUCEWRRSA-N	1	0	370.457	1.306	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(OC)ccn2)C[C@H]1c1cncn1C	ZINC001131040514	940468496	/nfs/dbraw/zinc/46/84/96/940468496.db2.gz	XPVXWROULJYCLJ-NVXWUHKLSA-N	1	0	353.426	1.045	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)c(C)cn2)C[C@H]1c1cncn1C	ZINC001131033856	940470287	/nfs/dbraw/zinc/47/02/87/940470287.db2.gz	XHEFKSXFVDMIFH-SJLPKXTDSA-N	1	0	351.454	1.653	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccnn2C)C1	ZINC001086655408	940471334	/nfs/dbraw/zinc/47/13/34/940471334.db2.gz	FSDFKTBAHZZGLM-DOTOQJQBSA-N	1	0	367.453	1.989	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccnn2C)C1	ZINC001131057487	940477833	/nfs/dbraw/zinc/47/78/33/940477833.db2.gz	KBJWJEWBMGLDQT-KBAYOESNSA-N	1	0	370.501	1.840	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1c1cncn1C	ZINC001131057857	940478135	/nfs/dbraw/zinc/47/81/35/940478135.db2.gz	XOLJGENHOZZSMT-ZIAGYGMSSA-N	1	0	358.446	1.023	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1c1cncn1C	ZINC001131053803	940480662	/nfs/dbraw/zinc/48/06/62/940480662.db2.gz	BAHCCFXRCQYXLK-ZIAGYGMSSA-N	1	0	350.413	1.763	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc3n2CCCC3)C[C@H]1c1cncn1C	ZINC001131053824	940480689	/nfs/dbraw/zinc/48/06/89/940480689.db2.gz	BUKYCXSRDRSFCE-HZPDHXFCSA-N	1	0	368.485	1.727	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnnn2C)C1	ZINC001131055827	940481777	/nfs/dbraw/zinc/48/17/77/940481777.db2.gz	OEZAHBBBYKFCKH-USXIJHARSA-N	1	0	371.489	1.235	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(=O)NCC)C1	ZINC001131056082	940481944	/nfs/dbraw/zinc/48/19/44/940481944.db2.gz	XITHHOBUCVINFL-ARFHVFGLSA-N	1	0	361.490	1.043	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2CCC)C[C@H]1c1cncn1C	ZINC001131066902	940482388	/nfs/dbraw/zinc/48/23/88/940482388.db2.gz	OLWMKTACVLMZCP-BRSBDYLESA-N	1	0	360.502	1.943	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2CCC)C[C@H]1c1cncn1C	ZINC001131070351	940484502	/nfs/dbraw/zinc/48/45/02/940484502.db2.gz	QTIXCPWSNBTOAR-QBPKDAKJSA-N	1	0	373.501	1.043	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCc2ccncc2)C[C@H]1c1cncn1C	ZINC001131072147	940485166	/nfs/dbraw/zinc/48/51/66/940485166.db2.gz	KVBRGJAAQWYPBB-KBAYOESNSA-N	1	0	369.469	1.490	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2cn(C)nc2C)C[C@H]1c1cncn1C	ZINC001131083778	940489007	/nfs/dbraw/zinc/48/90/07/940489007.db2.gz	ALFMNFCIZHPETD-QZTJIDSGSA-N	1	0	368.485	1.002	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)C[C@H]1c1cncn1C	ZINC001131076622	940491343	/nfs/dbraw/zinc/49/13/43/940491343.db2.gz	URFXOHAFKFEEHI-RHSMWYFYSA-N	1	0	354.458	1.795	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2c(C)noc2C)C[C@H]1c1cncn1C	ZINC001131089661	940495118	/nfs/dbraw/zinc/49/51/18/940495118.db2.gz	SNPLBXOCPDDYEE-KBRIMQKVSA-N	1	0	369.469	1.736	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)NC(C)=O)C[C@H]1c1cncn1C	ZINC001131110458	940498154	/nfs/dbraw/zinc/49/81/54/940498154.db2.gz	ORIUXGJGMKHKKG-BRWVUGGUSA-N	1	0	361.490	1.041	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COc2ccccc2)C[C@H]1c1cncn1C	ZINC001131112498	940498785	/nfs/dbraw/zinc/49/87/85/940498785.db2.gz	FVTAMXHOOOOZOJ-QZTJIDSGSA-N	1	0	352.438	1.406	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cccc2)C[C@H]1c1cncn1C	ZINC001131112496	940498815	/nfs/dbraw/zinc/49/88/15/940498815.db2.gz	FUMFAMFLFFDXFW-KZNAEPCWSA-N	1	0	353.470	1.780	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCOCCCOC)C[C@H]1c1cncn1C	ZINC001131105688	940501727	/nfs/dbraw/zinc/50/17/27/940501727.db2.gz	FHXQZRKBKJVSBC-IAGOWNOFSA-N	1	0	364.490	1.323	20	30		FDEDRO
C[NH+](C)CCN1c2ccccc2C(=NNc2ccc([N+](=O)[O-])cn2)C1=O	ZINC000807963780	940503234	/nfs/dbraw/zinc/50/32/34/940503234.db2.gz	KESCREWKFXIGSM-UHFFFAOYSA-N	1	0	354.370	1.714	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2cccc(F)c2)C[C@H]1c1cncn1C	ZINC001131117842	940504588	/nfs/dbraw/zinc/50/45/88/940504588.db2.gz	VSJCCIZMLIMNMB-QZTJIDSGSA-N	1	0	354.429	1.709	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCCOCC)C[C@H]1c1cncn1C	ZINC001131130671	940511496	/nfs/dbraw/zinc/51/14/96/940511496.db2.gz	XYWRAVXBCPIPGE-BRWVUGGUSA-N	1	0	364.490	1.322	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C)OCCOCC)C[C@H]1c1cncn1C	ZINC001131130672	940511540	/nfs/dbraw/zinc/51/15/40/940511540.db2.gz	XYWRAVXBCPIPGE-GVDBMIGSSA-N	1	0	364.490	1.322	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000808022645	940512102	/nfs/dbraw/zinc/51/21/02/940512102.db2.gz	PCBJXAJLXFJTQY-OLZOCXBDSA-N	1	0	372.307	1.780	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](OCC)c2ccccc2)C[C@H]1c1cncn1C	ZINC001131132574	940512635	/nfs/dbraw/zinc/51/26/35/940512635.db2.gz	MBGOKRNUTSIVFV-QWFCFKBJSA-N	1	0	366.465	1.715	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2C2CC2)C[C@H]1c1cncn1C	ZINC001131136519	940513556	/nfs/dbraw/zinc/51/35/56/940513556.db2.gz	RAIKYIOXWQDBFN-IAGOWNOFSA-N	1	0	366.469	1.252	20	30		FDEDRO
C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@@H+]([C@@H]1CC[C@@H](C(=O)OC)C1)C2	ZINC001170542680	940514998	/nfs/dbraw/zinc/51/49/98/940514998.db2.gz	KRVDXYPWCQHILX-HLIPFELVSA-N	1	0	363.502	1.511	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCC(=O)N3)C2)ccc1F	ZINC001086659950	940517973	/nfs/dbraw/zinc/51/79/73/940517973.db2.gz	RODHBPGHZXLCJO-YSVLISHTSA-N	1	0	358.417	1.350	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@]12CCC[C@H]1OCC2	ZINC001131226231	940534674	/nfs/dbraw/zinc/53/46/74/940534674.db2.gz	HKTIPTHDRMNCOX-FCEWJHQRSA-N	1	0	351.491	1.465	20	30		FDEDRO
Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1cc(F)cc(C#N)c1	ZINC000808333303	940542472	/nfs/dbraw/zinc/54/24/72/940542472.db2.gz	FOIYJDDWHLDPSX-UHFFFAOYSA-N	1	0	366.418	1.840	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CCC)C[C@H]32)C1	ZINC001131304616	940548139	/nfs/dbraw/zinc/54/81/39/940548139.db2.gz	OOBCXLHQCVUPQV-ZACQAIPSSA-N	1	0	365.474	1.485	20	30		FDEDRO
CC(C)C#CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CC4CCC4)C[C@H]32)C1	ZINC001131307094	940548950	/nfs/dbraw/zinc/54/89/50/940548950.db2.gz	IRLLZDBGSNETBA-KURKYZTESA-N	1	0	359.470	1.552	20	30		FDEDRO
CC#CCCCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CC(C)C)C[C@H]32)C1	ZINC001131310292	940549986	/nfs/dbraw/zinc/54/99/86/940549986.db2.gz	NWOOUURVLCDREM-KURKYZTESA-N	1	0	361.486	1.942	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCCC3)C2)c1	ZINC001086668518	940563176	/nfs/dbraw/zinc/56/31/76/940563176.db2.gz	RKZHNOPAWTYLAU-GOEBONIOSA-N	1	0	357.458	1.387	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccs2)CC1	ZINC001131410357	940565953	/nfs/dbraw/zinc/56/59/53/940565953.db2.gz	DHRYGEGZVSMDIE-AEFFLSMTSA-N	1	0	362.495	1.997	20	30		FDEDRO
CO[C@@H](C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CSCC#N)CC1	ZINC001131429682	940567391	/nfs/dbraw/zinc/56/73/91/940567391.db2.gz	QWERSSGDGPVDQU-LXZKKBNFSA-N	1	0	355.504	1.264	20	30		FDEDRO
CC(C)(C)N1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1=O	ZINC001086669175	940598251	/nfs/dbraw/zinc/59/82/51/940598251.db2.gz	ROHBAEZOIHCYFI-NUEKZKHPSA-N	1	0	371.485	1.774	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)OC)CC1	ZINC001131436798	940599753	/nfs/dbraw/zinc/59/97/53/940599753.db2.gz	BOBVEJQNHVFRBS-LESCRADOSA-N	1	0	367.490	1.683	20	30		FDEDRO
CCSCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC#CCOC)CC1	ZINC001131437146	940600435	/nfs/dbraw/zinc/60/04/35/940600435.db2.gz	NUHSMMXUBSJXIN-MJGOQNOKSA-N	1	0	368.543	1.765	20	30		FDEDRO
C=CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)c2nncn2C)CC1	ZINC001131448457	940601651	/nfs/dbraw/zinc/60/16/51/940601651.db2.gz	AKFHGFMESFOQHN-LESCRADOSA-N	1	0	361.490	1.828	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCC2CCC2)CC1	ZINC001131450948	940604055	/nfs/dbraw/zinc/60/40/55/940604055.db2.gz	AXTIMMMXFAWAGU-LZQZEXGQSA-N	1	0	363.502	1.948	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)/C(C)=C/CC)CC1	ZINC001131458692	940613763	/nfs/dbraw/zinc/61/37/63/940613763.db2.gz	TXWVEEXCRBMOMD-YLOJZVIVSA-N	1	0	361.486	1.078	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2COCCN2C)CC1	ZINC001131470671	940625997	/nfs/dbraw/zinc/62/59/97/940625997.db2.gz	NURVNSXZLGWTAA-QRVBRYPASA-N	1	0	365.518	1.269	20	30		FDEDRO
CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1	ZINC001131470908	940626530	/nfs/dbraw/zinc/62/65/30/940626530.db2.gz	ZZNBJVATDQGDHT-AEFFLSMTSA-N	1	0	360.458	1.522	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2COC(=O)N2)CC1	ZINC001131490888	940641230	/nfs/dbraw/zinc/64/12/30/940641230.db2.gz	FWJOSUJZDVCVPX-PMPSAXMXSA-N	1	0	351.447	1.047	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)/C=C(\C)CC)CC1	ZINC001131493641	940644653	/nfs/dbraw/zinc/64/46/53/940644653.db2.gz	KUHMVDPFYRKJII-UJRZMABSSA-N	1	0	363.502	1.631	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CO[C@@H]2CCOC2)CC1	ZINC001131496033	940647237	/nfs/dbraw/zinc/64/72/37/940647237.db2.gz	LNTOPPVHESAIPC-LMMKCTJWSA-N	1	0	352.475	1.354	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccncc2C)CC1	ZINC001131500106	940650908	/nfs/dbraw/zinc/65/09/08/940650908.db2.gz	KJCBKGNCZMEEPU-UXHICEINSA-N	1	0	371.481	1.639	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2ccn(C)n2)CC1	ZINC001131500403	940651297	/nfs/dbraw/zinc/65/12/97/940651297.db2.gz	VHKZTIPIMUGODQ-QUCCMNQESA-N	1	0	360.502	1.915	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCOCC)CC1	ZINC001131502319	940652644	/nfs/dbraw/zinc/65/26/44/940652644.db2.gz	AFZBFZNOGFIJNR-QRQLOZEOSA-N	1	0	366.502	1.437	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCOC)CC1	ZINC001131502791	940653239	/nfs/dbraw/zinc/65/32/39/940653239.db2.gz	KTHXLISSOKQUID-NXHRZFHOSA-N	1	0	352.475	1.047	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1	ZINC001131510509	940659537	/nfs/dbraw/zinc/65/95/37/940659537.db2.gz	MZGDTIFLUMRABZ-SCTDSRPQSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NCC)CC1	ZINC001131506503	940668330	/nfs/dbraw/zinc/66/83/30/940668330.db2.gz	BLBZUQCKBSPPRC-APWZRJJASA-N	1	0	365.518	1.711	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCF)CC1	ZINC001131515330	940679790	/nfs/dbraw/zinc/67/97/90/940679790.db2.gz	DGFLIGDKAJBVCD-QYZOEREBSA-N	1	0	365.493	1.429	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc3cccn3cn2)CC1	ZINC001131519387	940688898	/nfs/dbraw/zinc/68/88/98/940688898.db2.gz	NVAJZMYOIPIYHI-QUCCMNQESA-N	1	0	366.465	1.957	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCC2(F)F)CC1	ZINC001131522650	940705908	/nfs/dbraw/zinc/70/59/08/940705908.db2.gz	RKTFABLWCUPHEE-ZACQAIPSSA-N	1	0	370.440	1.667	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCn3cncc3C2)CC1	ZINC001131522489	940705982	/nfs/dbraw/zinc/70/59/82/940705982.db2.gz	KNVAOCUVJYEQFK-SXLOBPIMSA-N	1	0	370.497	1.455	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnc3n[nH]cc3c2)CC1	ZINC001131522625	940706032	/nfs/dbraw/zinc/70/60/32/940706032.db2.gz	QBFIKWMHPJIMIG-MSOLQXFVSA-N	1	0	367.453	1.581	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn(C)c2CC)CC1	ZINC001131526404	940711567	/nfs/dbraw/zinc/71/15/67/940711567.db2.gz	QPFONTAMKXDWII-MJGOQNOKSA-N	1	0	358.486	1.605	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@]1(C)c1ccccc1	ZINC001131543219	940717240	/nfs/dbraw/zinc/71/72/40/940717240.db2.gz	QMGAHLJREQVIFW-FXAWDEMLSA-N	1	0	356.470	1.432	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2cncc(C)c2)CC1	ZINC001131535840	940725235	/nfs/dbraw/zinc/72/52/35/940725235.db2.gz	PMKPDCGYJMUVLG-CTNGQTDRSA-N	1	0	355.482	1.942	20	30		FDEDRO
C=CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H](O)COC)CC1	ZINC001131558398	940733213	/nfs/dbraw/zinc/73/32/13/940733213.db2.gz	YXDNZTVXZNCKQO-SCTDSRPQSA-N	1	0	354.491	1.336	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCNC(=O)C2)C1	ZINC001086671075	940733838	/nfs/dbraw/zinc/73/38/38/940733838.db2.gz	KEDASLGZRVTDMK-RWMBFGLXSA-N	1	0	358.280	1.296	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccc(=O)n2C)CC1	ZINC001131559687	940733885	/nfs/dbraw/zinc/73/38/85/940733885.db2.gz	CVDVUTPXSRJTBM-APWZRJJASA-N	1	0	359.470	1.561	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCOCC)CC2)c1	ZINC001131561974	940735434	/nfs/dbraw/zinc/73/54/34/940735434.db2.gz	IASMWIPEXQPQSR-UXHICEINSA-N	1	0	371.481	1.699	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](CC(=C)C)NC(C)=O)CC1	ZINC001131575464	940752581	/nfs/dbraw/zinc/75/25/81/940752581.db2.gz	ZDWPHUZVVHMNHB-QRVBRYPASA-N	1	0	361.486	1.076	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2nc(C)c[nH]2)CC1	ZINC001131575410	940752676	/nfs/dbraw/zinc/75/26/76/940752676.db2.gz	WOVMGTNMISAGFA-SJORKVTESA-N	1	0	362.474	1.520	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)CNC(C)=O)CC1	ZINC001131578273	940755027	/nfs/dbraw/zinc/75/50/27/940755027.db2.gz	OIBRYWPZXGWDCP-MSOLQXFVSA-N	1	0	365.518	1.711	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)OCCOC)CC1	ZINC001131578454	940755644	/nfs/dbraw/zinc/75/56/44/940755644.db2.gz	YKHRHWADDSGCAB-JQHSSLGASA-N	1	0	352.475	1.047	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c[nH]nc2C2CC2)CC1	ZINC001131588223	940757475	/nfs/dbraw/zinc/75/74/75/940757475.db2.gz	XVBKBVJBFSOASW-MJGOQNOKSA-N	1	0	356.470	1.910	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2coc(COC)n2)CC1	ZINC001131588151	940757566	/nfs/dbraw/zinc/75/75/66/940757566.db2.gz	UJZOEHARUUUCOY-QAPCUYQASA-N	1	0	361.442	1.444	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)Oc2ccccn2)CC1	ZINC001131593186	940764761	/nfs/dbraw/zinc/76/47/61/940764761.db2.gz	QBZWQSXSVWZCCR-HQRMLTQVSA-N	1	0	371.481	1.858	20	30		FDEDRO
C[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC#Cc2ccccc2)CC1	ZINC001131606873	940772898	/nfs/dbraw/zinc/77/28/98/940772898.db2.gz	KEEDTYLOFGCGNE-ZNLUXHQJSA-N	1	0	370.493	1.795	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](NC(C)=O)C(C)C)CC1	ZINC001131595468	940778399	/nfs/dbraw/zinc/77/83/99/940778399.db2.gz	YWIUHTWTAVSKEL-QRVBRYPASA-N	1	0	365.518	1.709	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+][C@H](C)COC)CC2)nc1	ZINC001131597137	940781000	/nfs/dbraw/zinc/78/10/00/940781000.db2.gz	NNMQEKFQWGOLAN-ZTNFWEORSA-N	1	0	371.481	1.697	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ncccc2OC)CC1	ZINC001131599697	940783128	/nfs/dbraw/zinc/78/31/28/940783128.db2.gz	HPPVOJBVXAXTFY-APWZRJJASA-N	1	0	357.454	1.713	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)CCOC)CC1	ZINC001131606926	940786226	/nfs/dbraw/zinc/78/62/26/940786226.db2.gz	NBGDMKSSUKHKJT-QRQLOZEOSA-N	1	0	366.502	1.295	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2[nH]cnc2C)CC1	ZINC001131624810	940798104	/nfs/dbraw/zinc/79/81/04/940798104.db2.gz	LZVOKWAKRXLNHK-AEFFLSMTSA-N	1	0	362.474	1.520	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(C)c1)[C@@H]1CCCO1	ZINC000809309518	940814340	/nfs/dbraw/zinc/81/43/40/940814340.db2.gz	NHJPXDQOBDFFFM-OALUTQOASA-N	1	0	371.481	1.182	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1C#N	ZINC000809504424	940845681	/nfs/dbraw/zinc/84/56/81/940845681.db2.gz	LKCRVAOHMDWPHZ-BBRMVZONSA-N	1	0	358.442	1.124	20	30		FDEDRO
CC(C)OCC[NH+]1CCC(NC(=O)NCCNc2ccc(C#N)cn2)CC1	ZINC000747579456	940922019	/nfs/dbraw/zinc/92/20/19/940922019.db2.gz	NZMPSSYRWVMIHR-UHFFFAOYSA-N	1	0	374.489	1.554	20	30		FDEDRO
COc1ncccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1	ZINC001086676122	940924580	/nfs/dbraw/zinc/92/45/80/940924580.db2.gz	WVHXYNCYOVPUHX-DZGCQCFKSA-N	1	0	353.426	1.978	20	30		FDEDRO
COc1nccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1	ZINC001086676483	940948882	/nfs/dbraw/zinc/94/88/82/940948882.db2.gz	GCGDVOTUHMDITJ-GXTWGEPZSA-N	1	0	354.414	1.373	20	30		FDEDRO
CC(C)([NH3+])CN(c1ccc(OCC#N)cn1)S(=O)(=O)c1ccccc1	ZINC001170600077	940963609	/nfs/dbraw/zinc/96/36/09/940963609.db2.gz	NAWCYFSICMOEBR-UHFFFAOYSA-N	1	0	360.439	1.917	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(Cl)cc1	ZINC000810470334	940998639	/nfs/dbraw/zinc/99/86/39/940998639.db2.gz	IZTWOVXUYOLBGX-HNNXBMFYSA-N	1	0	373.844	1.527	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1	ZINC000810842109	941067600	/nfs/dbraw/zinc/06/76/00/941067600.db2.gz	SPHLGGPHDVDKEZ-HZPDHXFCSA-N	1	0	362.451	1.382	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ncn(C)n3)C2)cc1C#N	ZINC001086688236	941079550	/nfs/dbraw/zinc/07/95/50/941079550.db2.gz	GKRFKUVFMWHSQY-GOEBONIOSA-N	1	0	368.441	1.384	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)c2ccccc2OCC[NH+](C)C)CC1	ZINC000747737667	941149097	/nfs/dbraw/zinc/14/90/97/941149097.db2.gz	YRMUTYXCBWXQQP-UHFFFAOYSA-N	1	0	357.454	1.229	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccnc(OC)n2)C1	ZINC001086698912	941169502	/nfs/dbraw/zinc/16/95/02/941169502.db2.gz	IDGAGDVAPDWXFH-IDCNUPLLSA-N	1	0	374.485	1.841	20	30		FDEDRO
C#C[C@H](C)N(C)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000812033762	941179518	/nfs/dbraw/zinc/17/95/18/941179518.db2.gz	DOZQKFCJGWDDNU-YJBOKZPZSA-N	1	0	356.470	1.547	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](CCO)Cc2ccns2)CC1	ZINC001098482725	941183839	/nfs/dbraw/zinc/18/38/39/941183839.db2.gz	YOUQDWVMDYNQOD-SJORKVTESA-N	1	0	365.499	1.520	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)c1ccc(F)cc1	ZINC000813038226	941314066	/nfs/dbraw/zinc/31/40/66/941314066.db2.gz	SUFNMPKLOJWCAK-QGZVFWFLSA-N	1	0	363.352	1.836	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1	ZINC000813500367	941400288	/nfs/dbraw/zinc/40/02/88/941400288.db2.gz	OGCKRIJZHUBQNU-KRWDZBQOSA-N	1	0	350.442	1.467	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C(C)C)C1CCCCC1	ZINC001134054322	941531100	/nfs/dbraw/zinc/53/11/00/941531100.db2.gz	FOAKYSSLWXAHSF-MSOLQXFVSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NCc1ccccc1F	ZINC001134054691	941531345	/nfs/dbraw/zinc/53/13/45/941531345.db2.gz	PMBSDYGJCDWVDI-UNEWFSDZSA-N	1	0	363.433	1.127	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]Cc1cc(Cl)c2c(c1)OCCO2	ZINC001134054937	941531592	/nfs/dbraw/zinc/53/15/92/941531592.db2.gz	WFUHDNAAYCZEJE-HIFRSBDPSA-N	1	0	366.845	1.908	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cncn1C	ZINC001134045477	941535015	/nfs/dbraw/zinc/53/50/15/941535015.db2.gz	HYJIAPGBBUOMSY-ARFHVFGLSA-N	1	0	361.490	1.043	20	30		FDEDRO
N#Cc1cccc([C@@H](O)C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1	ZINC001170757055	941702249	/nfs/dbraw/zinc/70/22/49/941702249.db2.gz	RCWSOZDLWAIZON-ZFWWWQNUSA-N	1	0	355.360	1.982	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)CC1	ZINC000815028812	941763602	/nfs/dbraw/zinc/76/36/02/941763602.db2.gz	HOWGUOFGRQJMQS-DNVCBOLYSA-N	1	0	371.456	1.949	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1	ZINC000815028813	941763707	/nfs/dbraw/zinc/76/37/07/941763707.db2.gz	HOWGUOFGRQJMQS-HNAYVOBHSA-N	1	0	371.456	1.949	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000815082287	941777897	/nfs/dbraw/zinc/77/78/97/941777897.db2.gz	JBHPAGHTAKXGRU-UHFFFAOYSA-N	1	0	363.798	1.621	20	30		FDEDRO
CCc1ccc(C#CC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1	ZINC000815541541	941907587	/nfs/dbraw/zinc/90/75/87/941907587.db2.gz	HEAMIFHZDFHLNE-UHFFFAOYSA-N	1	0	355.482	1.659	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N(C)CC1CCCCC1	ZINC001135145712	941929545	/nfs/dbraw/zinc/92/95/45/941929545.db2.gz	QGAFATXMYDNYKU-HKUYNNGSSA-N	1	0	365.518	1.712	20	30		FDEDRO
CCc1ccc(C#CC(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1	ZINC000815688526	941939390	/nfs/dbraw/zinc/93/93/90/941939390.db2.gz	DLHUODLFPBZUIU-UHFFFAOYSA-N	1	0	367.453	1.114	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NCc1ccccc1	ZINC001135147215	941942203	/nfs/dbraw/zinc/94/22/03/941942203.db2.gz	DYBHDILSUFJCDV-SZMVWBNQSA-N	1	0	359.470	1.378	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cnn([C@@H](C)CC)c1C1CC1	ZINC000815861133	941997609	/nfs/dbraw/zinc/99/76/09/941997609.db2.gz	RTECDRISRQDJJR-AWEZNQCLSA-N	1	0	359.474	1.741	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)O1	ZINC001086732160	942012533	/nfs/dbraw/zinc/01/25/33/942012533.db2.gz	YJVSYNHSIRDMRL-XWPNQZOQSA-N	1	0	370.497	1.652	20	30		FDEDRO
Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2	ZINC000816531681	942244438	/nfs/dbraw/zinc/24/44/38/942244438.db2.gz	ZVMRWZWAPLCELW-OAHLLOKOSA-N	1	0	353.426	1.370	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(-n3cnnn3)cn2)C1	ZINC001086766469	942426700	/nfs/dbraw/zinc/42/67/00/942426700.db2.gz	RSRIDMUTGVQCFP-QWHCGFSZSA-N	1	0	361.837	1.298	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCNC(=O)CC2)C1	ZINC001086767647	942442646	/nfs/dbraw/zinc/44/26/46/942442646.db2.gz	UWPYGAUBNOXFKH-TXPKVOOTSA-N	1	0	368.481	1.849	20	30		FDEDRO
Cn1c(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)c[nH]c1=O	ZINC001086777453	942452326	/nfs/dbraw/zinc/45/23/26/942452326.db2.gz	RDMHLDXRERYHFX-DZGCQCFKSA-N	1	0	371.416	1.825	20	30		FDEDRO
N#Cc1ccccc1/C=C\C(=O)NCC(=O)NCC[NH+]1CCCCCC1	ZINC000817165307	942600857	/nfs/dbraw/zinc/60/08/57/942600857.db2.gz	YBRUYLKQOIPROU-KTKRTIGZSA-N	1	0	354.454	1.680	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001086804116	942769104	/nfs/dbraw/zinc/76/91/04/942769104.db2.gz	RWCXBQXXZUCBOF-QYHDQYMBSA-N	1	0	358.417	1.193	20	30		FDEDRO
C[C@@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1C[C@H]1CC(C)(C)C	ZINC001170872189	942815961	/nfs/dbraw/zinc/81/59/61/942815961.db2.gz	VYABQMKDNGADDA-HRCADAONSA-N	1	0	350.507	1.963	20	30		FDEDRO
C=CCn1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)NC(=O)OC(C)(C)C)nn1	ZINC000818346685	943216657	/nfs/dbraw/zinc/21/66/57/943216657.db2.gz	HWHKUFBALHHYCL-CWRNSKLLSA-N	1	0	365.478	1.872	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@]1(COC)CCN(C(=O)OC(C)(C)C)C1	ZINC000818589204	943297651	/nfs/dbraw/zinc/29/76/51/943297651.db2.gz	UVEYAGNJTVZZLS-LJQANCHMSA-N	1	0	367.490	1.331	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000818588999	943297924	/nfs/dbraw/zinc/29/79/24/943297924.db2.gz	MFPAKIQVFZRLSC-UHFFFAOYSA-N	1	0	374.529	1.716	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C1CCN(C(=O)CCc2ccccc2)CC1	ZINC000818612222	943301121	/nfs/dbraw/zinc/30/11/21/943301121.db2.gz	OKEDLVMTWPWPGW-UHFFFAOYSA-N	1	0	369.509	1.929	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1	ZINC000818602857	943328712	/nfs/dbraw/zinc/32/87/12/943328712.db2.gz	IARHGDCCXBIUEC-UHFFFAOYSA-N	1	0	374.426	1.549	20	30		FDEDRO
CN(C)S(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)cc1	ZINC000818960421	943342781	/nfs/dbraw/zinc/34/27/81/943342781.db2.gz	CQIJOVQIRRBUTD-GOSISDBHSA-N	1	0	359.451	1.632	20	30		FDEDRO
C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000818994622	943376252	/nfs/dbraw/zinc/37/62/52/943376252.db2.gz	HVAQXIKIEGCRFP-ULQDDVLXSA-N	1	0	368.522	1.818	20	30		FDEDRO
CC(C)(C)OC(=O)NCCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000819015070	943402920	/nfs/dbraw/zinc/40/29/20/943402920.db2.gz	CVZDRQXPRFDHBO-UHFFFAOYSA-N	1	0	367.471	1.836	20	30		FDEDRO
COc1ccc(CN2CC[C@@H]([NH2+]C[C@@H](O)c3ccc(C#N)cc3)C2=O)cc1	ZINC000819077277	943432349	/nfs/dbraw/zinc/43/23/49/943432349.db2.gz	JZUHSVIQTTVRFG-WOJBJXKFSA-N	1	0	365.433	1.991	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(C(=O)C2(c3ccc(C)cc3)CCC2)CC1	ZINC000819244077	943479530	/nfs/dbraw/zinc/47/95/30/943479530.db2.gz	JOZANVSYYNDPFM-UHFFFAOYSA-N	1	0	367.493	1.700	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)cc1	ZINC000819295212	943507317	/nfs/dbraw/zinc/50/73/17/943507317.db2.gz	RPHGJYRBASUIIK-UYAOXDASSA-N	1	0	365.433	1.861	20	30		FDEDRO
COC(=O)N1CCC(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000819307561	943512345	/nfs/dbraw/zinc/51/23/45/943512345.db2.gz	AAHKBYHKGQOBJE-KRWDZBQOSA-N	1	0	361.442	1.560	20	30		FDEDRO
C[C@@H](C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)NC(=O)OC(C)(C)C	ZINC000819273234	943521427	/nfs/dbraw/zinc/52/14/27/943521427.db2.gz	CKTMZILYPYXRSX-ZDUSSCGKSA-N	1	0	367.471	1.835	20	30		FDEDRO
C=C[C@H]1C[C@]1(Nc1ccc(C(=O)NC2CC[NH+](C)CC2)nn1)C(=O)OCC	ZINC001170925729	943548200	/nfs/dbraw/zinc/54/82/00/943548200.db2.gz	UQDAMFQITPWZTD-ORAYPTAESA-N	1	0	373.457	1.220	20	30		FDEDRO
C#C[C@@H](NC(=O)NCC[N@H+](CC)CCO)c1ccc(Br)cc1	ZINC000820618118	944122068	/nfs/dbraw/zinc/12/20/68/944122068.db2.gz	XFEKWEWPZJOQPQ-OAHLLOKOSA-N	1	0	368.275	1.737	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccc(Cl)cc1F	ZINC000820755843	944183202	/nfs/dbraw/zinc/18/32/02/944183202.db2.gz	RQGSSTQMXPIIEP-WOSRLPQWSA-N	1	0	351.809	1.614	20	30		FDEDRO
CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3F)C2)nn1	ZINC001086840685	944294104	/nfs/dbraw/zinc/29/41/04/944294104.db2.gz	QUNZWSGCNBUCII-GOEBONIOSA-N	1	0	370.432	1.997	20	30		FDEDRO
CC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C[C@@H]2C1	ZINC000821329008	944421421	/nfs/dbraw/zinc/42/14/21/944421421.db2.gz	TWRXNWFIOCQOMS-SCTDSRPQSA-N	1	0	352.438	1.464	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1O	ZINC001090552812	944642259	/nfs/dbraw/zinc/64/22/59/944642259.db2.gz	YBLFHOBGNHCODS-FDQGKXFDSA-N	1	0	360.433	1.237	20	30		FDEDRO
COC(=O)c1nn(-c2ccccc2)cc1OC[C@H](O)CN[C@@H](C)CC#N	ZINC001195659102	971143462	/nfs/dbraw/zinc/14/34/62/971143462.db2.gz	IZVNWDWOUYTZCG-DZGCQCFKSA-N	1	0	358.398	1.290	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1	ZINC001171005129	945469487	/nfs/dbraw/zinc/46/94/87/945469487.db2.gz	HXHFYDPWQYUQGN-UHFFFAOYSA-N	1	0	359.382	1.248	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CCC(C(=O)NCCC[NH+](CC)CC)CC1	ZINC000823301240	945653525	/nfs/dbraw/zinc/65/35/25/945653525.db2.gz	HLOSZYJXRXSZBX-MRXNPFEDSA-N	1	0	351.491	1.111	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1	ZINC000823735638	945939618	/nfs/dbraw/zinc/93/96/18/945939618.db2.gz	CHGLXLZNZAJIQP-SHTZXODSSA-N	1	0	352.479	1.984	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2	ZINC001110709957	971228901	/nfs/dbraw/zinc/22/89/01/971228901.db2.gz	SIDMOWMHANNETN-TVFCKZIOSA-N	1	0	374.529	1.275	20	30		FDEDRO
CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1	ZINC000824617574	946598978	/nfs/dbraw/zinc/59/89/78/946598978.db2.gz	IBPPPGGKRMZORX-SFHVURJKSA-N	1	0	356.470	1.706	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21	ZINC000824668507	946663781	/nfs/dbraw/zinc/66/37/81/946663781.db2.gz	QHCSDVMTKDYIGC-XJKSGUPXSA-N	1	0	359.401	1.329	20	30		FDEDRO
C#CCCCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573283357	946713224	/nfs/dbraw/zinc/71/32/24/946713224.db2.gz	HUFBRMGPEJVBTJ-INIZCTEOSA-N	1	0	370.432	1.890	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21	ZINC001573284176	946738917	/nfs/dbraw/zinc/73/89/17/946738917.db2.gz	UKBNJFYYGDFSNC-VIKVFOODSA-N	1	0	356.455	1.278	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C1	ZINC001573284468	946747168	/nfs/dbraw/zinc/74/71/68/946747168.db2.gz	DJKPPOSXKZKMPE-HDICACEKSA-N	1	0	364.453	1.560	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CCCCNc1cc2c(c(C(=O)OC)c1)OCO2	ZINC001171069961	946816327	/nfs/dbraw/zinc/81/63/27/946816327.db2.gz	STBOKLDDXRSNSZ-AWEZNQCLSA-N	1	0	364.398	1.841	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573292038	946925381	/nfs/dbraw/zinc/92/53/81/946925381.db2.gz	NEBMENQWZQBALQ-DTWKUNHWSA-N	1	0	368.239	1.200	20	30		FDEDRO
C[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@H]1NC(=O)CCC[NH+](C)C	ZINC001090810116	946936375	/nfs/dbraw/zinc/93/63/75/946936375.db2.gz	VJLFOPULDXPTLU-GHMZBOCLSA-N	1	0	355.895	1.951	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H](C)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573293327	946953303	/nfs/dbraw/zinc/95/33/03/946953303.db2.gz	SMVJXRVGXBJEQT-SECBINFHSA-N	1	0	368.239	1.154	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC001573561861	946968427	/nfs/dbraw/zinc/96/84/27/946968427.db2.gz	NZLHNGQNKZENIW-CYBMUJFWSA-N	1	0	353.430	1.449	20	30		FDEDRO
C=C(C)CCC(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573293928	946973303	/nfs/dbraw/zinc/97/33/03/946973303.db2.gz	OJKCMMVXMNMMLO-UONOGXRCSA-N	1	0	355.446	1.737	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)C1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1	ZINC001573562649	946976343	/nfs/dbraw/zinc/97/63/43/946976343.db2.gz	VIOJEAVULREAAS-ZDUSSCGKSA-N	1	0	353.430	1.449	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC(C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1	ZINC001573564472	946994825	/nfs/dbraw/zinc/99/48/25/946994825.db2.gz	JCPNGDRLWFIYCF-LBPRGKRZSA-N	1	0	371.420	1.494	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1CC	ZINC001573294653	946995774	/nfs/dbraw/zinc/99/57/74/946995774.db2.gz	FKIIPYMOXASAIJ-DGCLKSJQSA-N	1	0	363.853	1.778	20	30		FDEDRO
C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1	ZINC001573295019	947006660	/nfs/dbraw/zinc/00/66/60/947006660.db2.gz	KXSYRGYKIJAKKZ-UHFFFAOYSA-N	1	0	363.853	1.920	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001573297098	947059347	/nfs/dbraw/zinc/05/93/47/947059347.db2.gz	DFYZXMBFYUVDDP-NEPJUHHUSA-N	1	0	363.853	1.826	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573297752	947067304	/nfs/dbraw/zinc/06/73/04/947067304.db2.gz	LAHJYRSZLBBZJI-MFKMUULPSA-N	1	0	363.853	1.778	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCCC[C@H]1CN(C)c1cc[nH+]cc1-c1nn[nH]n1	ZINC001573568185	947068270	/nfs/dbraw/zinc/06/82/70/947068270.db2.gz	YZCXEGSBQZWPEE-OLZOCXBDSA-N	1	0	354.418	1.239	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC[C@@H]1C	ZINC001573298734	947078828	/nfs/dbraw/zinc/07/88/28/947078828.db2.gz	RSNLQRZQVIIROL-CMPLNLGQSA-N	1	0	363.853	1.635	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC[C@@H]2C1	ZINC001573570823	947095057	/nfs/dbraw/zinc/09/50/57/947095057.db2.gz	UMXILFOJEKMHKX-XYPHTWIQSA-N	1	0	365.441	1.307	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H]1CC12CC[NH+](Cc1ccc(-c3nn[nH]n3)s1)CC2	ZINC001573572022	947106516	/nfs/dbraw/zinc/10/65/16/947106516.db2.gz	CXSSMFMTWBMHQR-RISCZKNCSA-N	1	0	371.470	1.559	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1cccc(-c3nn[nH]n3)c1)CC2	ZINC001573571979	947107295	/nfs/dbraw/zinc/10/72/95/947107295.db2.gz	CCIMGOIQHZQNFQ-VVFCZOMOSA-N	1	0	365.441	1.640	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C(C)(C)C	ZINC001573572062	947108587	/nfs/dbraw/zinc/10/85/87/947108587.db2.gz	DOBASCDEELGUPB-ABAIWWIYSA-N	1	0	373.436	1.786	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)C(C)(C)C	ZINC001573572482	947114257	/nfs/dbraw/zinc/11/42/57/947114257.db2.gz	IUHURBMVCHSJLZ-DOMZBBRYSA-N	1	0	355.446	1.647	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC1(C)CC[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1	ZINC001573573304	947119419	/nfs/dbraw/zinc/11/94/19/947119419.db2.gz	MVDSPRGEYKOCPN-LBPRGKRZSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC001573573434	947121734	/nfs/dbraw/zinc/12/17/34/947121734.db2.gz	NGFOKDHOSYHNPH-CZUORRHYSA-N	1	0	353.430	1.497	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1[N@H+](Cc1ccc(-c3nn[nH]n3)s1)CC2	ZINC001573573955	947125512	/nfs/dbraw/zinc/12/55/12/947125512.db2.gz	PXCQIRJQPLNUCK-ZLENFMNRSA-N	1	0	371.470	1.701	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1	ZINC001573575146	947136603	/nfs/dbraw/zinc/13/66/03/947136603.db2.gz	WJXOXVOAQVAHHO-CJNGLKHVSA-N	1	0	353.430	1.497	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@H](C)CCCCNc1cc[nH+]cc1-c1nn[nH]n1	ZINC001573301387	947137597	/nfs/dbraw/zinc/13/75/97/947137597.db2.gz	ZTCDHBRZTCUKKK-CYBMUJFWSA-N	1	0	357.462	1.983	20	30		FDEDRO
C=CC(C)(C)C(=O)NC[C@@H]1CN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1C	ZINC001573304841	947142846	/nfs/dbraw/zinc/14/28/46/947142846.db2.gz	HSRDRQZTHSKCHC-TZMCWYRMSA-N	1	0	369.473	1.971	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC1CC([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573576612	947153905	/nfs/dbraw/zinc/15/39/05/947153905.db2.gz	IFUDMRLXESWERU-PKSQDBQZSA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@H]1CCCCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1	ZINC001573576626	947154385	/nfs/dbraw/zinc/15/43/85/947154385.db2.gz	IIGHXZZWVYQEGR-WMLDXEAASA-N	1	0	367.457	1.887	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CC1	ZINC001573577552	947169812	/nfs/dbraw/zinc/16/98/12/947169812.db2.gz	RCNRZDLGBSMSBS-MEBBXXQBSA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC1CC([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573577777	947171502	/nfs/dbraw/zinc/17/15/02/947171502.db2.gz	SOJYIDJLRYIYEQ-IFQILLTASA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC1(C)CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1	ZINC001573577925	947176144	/nfs/dbraw/zinc/17/61/44/947176144.db2.gz	VOKKVQXFTRUNKR-LBPRGKRZSA-N	1	0	373.486	1.806	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCCC1	ZINC001573578117	947182034	/nfs/dbraw/zinc/18/20/34/947182034.db2.gz	YPXGVAUKVNDHKY-LBPRGKRZSA-N	1	0	371.420	1.684	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CC)C[C@H]2c2ccc(OC)cc2)C1=O	ZINC001090857860	947204105	/nfs/dbraw/zinc/20/41/05/947204105.db2.gz	ONJROJYHFQARCT-IPMKNSEASA-N	1	0	371.481	1.776	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC[C@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573584080	947211223	/nfs/dbraw/zinc/21/12/23/947211223.db2.gz	QGJSJRLDLWGGFD-STQMWFEESA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1	ZINC001573584272	947216930	/nfs/dbraw/zinc/21/69/30/947216930.db2.gz	SIQMSOHRUDWPDY-LBPRGKRZSA-N	1	0	371.420	1.494	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N(C)CCC[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001573310844	947229949	/nfs/dbraw/zinc/22/99/49/947229949.db2.gz	ZWQKARWBWCHTQP-SFHVURJKSA-N	1	0	358.446	1.132	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573584826	947236234	/nfs/dbraw/zinc/23/62/34/947236234.db2.gz	FWUVWPVYNPEFJQ-GYSYKLTISA-N	1	0	357.393	1.150	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H](C)[C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1	ZINC001573326415	947371890	/nfs/dbraw/zinc/37/18/90/947371890.db2.gz	OSJYDQPOLIBXRN-STQMWFEESA-N	1	0	355.446	1.735	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCCN2C)C[C@H]1c1ccc(OC)cc1	ZINC001090869173	947383647	/nfs/dbraw/zinc/38/36/47/947383647.db2.gz	SHGUJOSRTOSKCL-OTWHNJEPSA-N	1	0	359.470	1.096	20	30		FDEDRO
C=CCCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1	ZINC001573328393	947407607	/nfs/dbraw/zinc/40/76/07/947407607.db2.gz	VPUDBRIDVYXKAG-SHTZXODSSA-N	1	0	370.457	1.826	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2[NH2+]Cc2ccnn2C)cc1	ZINC001090866711	947409674	/nfs/dbraw/zinc/40/96/74/947409674.db2.gz	LVQXSWMBRCXSLM-MDASCCDHSA-N	1	0	367.453	1.673	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1	ZINC001573335536	947481885	/nfs/dbraw/zinc/48/18/85/947481885.db2.gz	RDJJSQYVZRNPEY-UGSOOPFHSA-N	1	0	355.446	1.745	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573336836	947510813	/nfs/dbraw/zinc/51/08/13/947510813.db2.gz	RUCZMTXRUASMCA-UONOGXRCSA-N	1	0	371.445	1.116	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1c1ccc(OC)cc1	ZINC001090874494	947528379	/nfs/dbraw/zinc/52/83/79/947528379.db2.gz	KGXUTKZEOBSRHB-QLIIJSOBSA-N	1	0	374.481	1.959	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCn2ccnc2)C[C@H]1c1ccc(OC)cc1	ZINC001090877457	947535273	/nfs/dbraw/zinc/53/52/73/947535273.db2.gz	SLPXNIAYAXTMMX-RBUKOAKNSA-N	1	0	352.438	1.499	20	30		FDEDRO
C=CCOCC(=O)N[C@H](C)C1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573342787	947546614	/nfs/dbraw/zinc/54/66/14/947546614.db2.gz	DIZQYUYOXMFDJO-GFCCVEGCSA-N	1	0	374.420	1.145	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)nc2)C[C@H]1c1ccc(OC)cc1	ZINC001090876398	947557947	/nfs/dbraw/zinc/55/79/47/947557947.db2.gz	XKOGZVUZLZQXML-RBUKOAKNSA-N	1	0	365.433	1.930	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(CC)nn2C)C[C@H]1c1ccc(OC)cc1	ZINC001090885120	947657735	/nfs/dbraw/zinc/65/77/35/947657735.db2.gz	SHFKBHIDFBWRLC-RBUKOAKNSA-N	1	0	366.465	1.822	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C(C)=O)C[C@H]1c1ccc(OC)cc1	ZINC001090888394	947707859	/nfs/dbraw/zinc/70/78/59/947707859.db2.gz	MZESYAUHTLWYJW-XUVXKRRUSA-N	1	0	371.481	1.776	20	30		FDEDRO
CO[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@H]1NC(=O)C[N@H+](C)C(C)C	ZINC001090892627	947751790	/nfs/dbraw/zinc/75/17/90/947751790.db2.gz	YZDBVCOKLGHMHK-HUUCEWRRSA-N	1	0	365.865	1.267	20	30		FDEDRO
CCOc1ccc(-c2nc(CC(=O)N[C@H]3C[NH2+]C[C@H]3C#N)cs2)cc1	ZINC000844195516	947865975	/nfs/dbraw/zinc/86/59/75/947865975.db2.gz	VUSGWVADXUZFRX-CJNGLKHVSA-N	1	0	356.451	1.979	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)N1CC[NH2+]C[C@H]1c1ccccc1	ZINC000844199050	947868052	/nfs/dbraw/zinc/86/80/52/947868052.db2.gz	SRERTSRJTUTHRP-MJWGMMHASA-N	1	0	354.410	1.076	20	30		FDEDRO
CO[C@@H]1CN(c2cc(C)ncc2C#N)C[C@H]1NC(=O)C1([NH+](C)C)CCC1	ZINC001090922967	947964472	/nfs/dbraw/zinc/96/44/72/947964472.db2.gz	UUQBWAXQFYZLAM-NVXWUHKLSA-N	1	0	357.458	1.066	20	30		FDEDRO
C#CC(=O)N(CCCCCC(=O)Oc1ccc(C(=O)OCC)cc1)C(N)=[NH2+]	ZINC001143915597	948008401	/nfs/dbraw/zinc/00/84/01/948008401.db2.gz	GRPSSNRXMBGGTQ-UHFFFAOYSA-N	1	0	373.409	1.684	20	30		FDEDRO
C[N@H+](CCC(=O)Nc1sccc1C(N)=O)C[C@H](O)c1cccc(C#N)c1	ZINC000844366998	948016682	/nfs/dbraw/zinc/01/66/82/948016682.db2.gz	QCTKSEIUJWFSDT-HNNXBMFYSA-N	1	0	372.450	1.713	20	30		FDEDRO
C[N@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)C[C@H](O)c1cccc(C#N)c1	ZINC000844367621	948017565	/nfs/dbraw/zinc/01/75/65/948017565.db2.gz	UFXVSEUKKZKIBD-SFHVURJKSA-N	1	0	366.421	1.651	20	30		FDEDRO
COCC[N@@H+]1CCN(Cc2nc3ccccc3c(=O)n2CC#N)C(C)(C)C1	ZINC000844432748	948083536	/nfs/dbraw/zinc/08/35/36/948083536.db2.gz	XQBFMULQHXZOAI-UHFFFAOYSA-N	1	0	369.469	1.463	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1	ZINC000805939812	948156110	/nfs/dbraw/zinc/15/61/10/948156110.db2.gz	VWVIFOJXGJXLJP-CYBMUJFWSA-N	1	0	368.275	1.648	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1Nc1cncc(C#N)n1	ZINC001090976020	948212738	/nfs/dbraw/zinc/21/27/38/948212738.db2.gz	JQMIGCRJMMFBPC-NVXWUHKLSA-N	1	0	356.474	1.873	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1Nc1cncc(C#N)n1	ZINC001090983756	948225892	/nfs/dbraw/zinc/22/58/92/948225892.db2.gz	DRNCQDZYFSSXAJ-NVXWUHKLSA-N	1	0	356.474	1.873	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)C[C@H](O)c1cccc(C#N)c1	ZINC000844970692	948546338	/nfs/dbraw/zinc/54/63/38/948546338.db2.gz	RCPPWZYDFCKLGD-ROUUACIJSA-N	1	0	360.458	1.344	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)N2CCCCC2)C1	ZINC001091033791	948556885	/nfs/dbraw/zinc/55/68/85/948556885.db2.gz	GPQMWLGDNGTRGZ-HIEASXQVSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ncnn2CCC)C1	ZINC001091034603	948559261	/nfs/dbraw/zinc/55/92/61/948559261.db2.gz	ONYNTCMONDRCGO-BACDZXNISA-N	1	0	361.490	1.654	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Oc2cccnn2)cc1	ZINC000856998108	971517101	/nfs/dbraw/zinc/51/71/01/971517101.db2.gz	JVYMQHADQSQOPI-UHFFFAOYSA-N	1	0	367.409	1.279	20	30		FDEDRO
C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(C#N)CCSC1	ZINC000845358772	949056430	/nfs/dbraw/zinc/05/64/30/949056430.db2.gz	DREVREJDHMUAMU-BLLLJJGKSA-N	1	0	356.492	1.347	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O)[NH+]1CCCCC1	ZINC001091117183	949351144	/nfs/dbraw/zinc/35/11/44/949351144.db2.gz	GZQIZZBNSHKUND-SQNIBIBYSA-N	1	0	371.485	1.129	20	30		FDEDRO
COCC[N@H+](CC(C)C)CN1CC(=O)N(Cc2ccccc2C#N)C1=O	ZINC000102389836	971589488	/nfs/dbraw/zinc/58/94/88/971589488.db2.gz	CTCAGVNJSHXHOA-UHFFFAOYSA-N	1	0	358.442	1.884	20	30		FDEDRO
CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@H](C)C#N	ZINC001574150816	950039600	/nfs/dbraw/zinc/03/96/00/950039600.db2.gz	DTGMRVFLBXERRR-CZUORRHYSA-N	1	0	355.446	1.647	20	30		FDEDRO
C[C@@H](CN(C)C(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1	ZINC001574738003	950163844	/nfs/dbraw/zinc/16/38/44/950163844.db2.gz	AULBRJJZOIHNNA-LBPRGKRZSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1	ZINC001574983459	950217885	/nfs/dbraw/zinc/21/78/85/950217885.db2.gz	OGSCPUSYTAKXJT-JTQLQIEISA-N	1	0	370.442	1.378	20	30		FDEDRO
C[N@H+](CC(=O)N[C@@H]1CN(c2cccc(F)c2C#N)C[C@@H]1O)CC(C)(C)C	ZINC001091185289	950380269	/nfs/dbraw/zinc/38/02/69/950380269.db2.gz	XDNXMMLASYPKQQ-WBVHZDCISA-N	1	0	362.449	1.341	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	ZINC000857234048	971663081	/nfs/dbraw/zinc/66/30/81/971663081.db2.gz	FGHTXALWEGXBRA-AEFFLSMTSA-N	1	0	358.486	1.779	20	30		FDEDRO
N#Cc1cccnc1NCCNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1	ZINC000846139510	950619241	/nfs/dbraw/zinc/61/92/41/950619241.db2.gz	OSURVQVGJQFFOM-BBWFWOEESA-N	1	0	372.473	1.293	20	30		FDEDRO
CC1CC[NH+](C[C@@H]2CCCN(c3cnc(-c4nn[nH]n4)c(C#N)n3)C2)CC1	ZINC001576213545	950630535	/nfs/dbraw/zinc/63/05/35/950630535.db2.gz	CLOBLFYGQOSFID-AWEZNQCLSA-N	1	0	367.461	1.477	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c3ccccc3[nH]c2=O)C1	ZINC001196421249	971689261	/nfs/dbraw/zinc/68/92/61/971689261.db2.gz	LODGHIQJMJFUFN-YSVLISHTSA-N	1	0	358.442	1.258	20	30		FDEDRO
CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)C1	ZINC000846275691	950838118	/nfs/dbraw/zinc/83/81/18/950838118.db2.gz	TZXVBSSDQSITKU-ZWKOTPCHSA-N	1	0	372.469	1.039	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1	ZINC000846318331	950916032	/nfs/dbraw/zinc/91/60/32/950916032.db2.gz	FIYWFECXNFZKSR-XYJFISCASA-N	1	0	355.438	1.351	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1	ZINC000846320737	950919493	/nfs/dbraw/zinc/91/94/93/950919493.db2.gz	UIDZXIDAVROUAS-DJJJIMSYSA-N	1	0	359.401	1.364	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]2CCN(c3ccc(C#N)nn3)[C@H]2C1	ZINC001091224544	951081607	/nfs/dbraw/zinc/08/16/07/951081607.db2.gz	TUFGDCWEATVPAV-HOCLYGCPSA-N	1	0	356.474	1.506	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N2CC[C@H]3CCN(c4ccc(C#N)cn4)[C@H]3C2)CC1	ZINC001091227046	951106692	/nfs/dbraw/zinc/10/66/92/951106692.db2.gz	ZMRBVBQNXIPMLT-IRXDYDNUSA-N	1	0	353.470	1.722	20	30		FDEDRO
CC[C@H](C(=O)N1CC[C@H]2CCN(c3cnc(C#N)cn3)[C@H]2C1)[NH+](CC)CC	ZINC001091230419	951120755	/nfs/dbraw/zinc/12/07/55/951120755.db2.gz	NXTUHKYFYDMVSK-JQHSSLGASA-N	1	0	370.501	1.896	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C1CC(CNC(=O)[C@H]2OCC[C@H]2C)C1	ZINC001091238712	951125798	/nfs/dbraw/zinc/12/57/98/951125798.db2.gz	GHDVXSDIHOMWEX-HGZNSMBASA-N	1	0	357.454	1.976	20	30		FDEDRO
N#Cc1nccc(N[C@@H]2CCCC[C@H]2NC(=O)CCCC[NH+]2CCCC2)n1	ZINC001091265475	951278894	/nfs/dbraw/zinc/27/88/94/951278894.db2.gz	BJXRBABQWIAYNO-IAGOWNOFSA-N	1	0	370.501	1.876	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nnc3ccccc3c2O)C1	ZINC001196500331	971747208	/nfs/dbraw/zinc/74/72/08/971747208.db2.gz	RREPJIFVWQVLPO-IAGOWNOFSA-N	1	0	370.453	1.857	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NCCC2CC[NH2+]CC2)ccc1F	ZINC000846699856	951469569	/nfs/dbraw/zinc/46/95/69/951469569.db2.gz	NMCVEDPRQOBTMC-UHFFFAOYSA-N	1	0	369.462	1.410	20	30		FDEDRO
CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1	ZINC000846732747	951508337	/nfs/dbraw/zinc/50/83/37/951508337.db2.gz	QQEFKDGPLABPKB-ROUUACIJSA-N	1	0	372.469	1.041	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cccs4)C[C@]3(C)C2)C1=O	ZINC001091449235	951813498	/nfs/dbraw/zinc/81/34/98/951813498.db2.gz	HDWRUMFVGDDMPJ-VCBZYWHSSA-N	1	0	359.495	1.929	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)c4cc[nH]n4)C[C@]3(C)C2)cc1C#N	ZINC001091499717	951885361	/nfs/dbraw/zinc/88/53/61/951885361.db2.gz	LCEDVXQZTUIVRJ-UZLBHIALSA-N	1	0	365.437	1.884	20	30		FDEDRO
C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1	ZINC001575110068	951937829	/nfs/dbraw/zinc/93/78/29/951937829.db2.gz	XQAIZQAFPWKEQQ-GFCCVEGCSA-N	1	0	364.413	1.222	20	30		FDEDRO
C[NH+](C)CCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1c1ccccc1	ZINC001091532193	951953564	/nfs/dbraw/zinc/95/35/64/951953564.db2.gz	QRSDXGRDITWCKN-DLBZAZTESA-N	1	0	364.453	1.389	20	30		FDEDRO
C[NH+](C)CCC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1c1ccccc1	ZINC001091531643	951959435	/nfs/dbraw/zinc/95/94/35/951959435.db2.gz	JRFKNGPUJVAORY-RBUKOAKNSA-N	1	0	363.465	1.994	20	30		FDEDRO
C[C@@H](CNC(=O)C#CC(C)(C)C)C[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001575115157	951962629	/nfs/dbraw/zinc/96/26/29/951962629.db2.gz	VCTDOQQWUQMASR-CQSZACIVSA-N	1	0	354.458	1.758	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2C[N@H+](Cc3ccc4c(c3)nnn4C)C[C@@]2(C)C1	ZINC001091546925	951991848	/nfs/dbraw/zinc/99/18/48/951991848.db2.gz	BJDFKFAJECMVJG-OHNRDTAOSA-N	1	0	352.442	1.408	20	30		FDEDRO
C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)n1ccc([C@H]2CCC[NH2+]2)nc1=N	ZINC001146223122	952001978	/nfs/dbraw/zinc/00/19/78/952001978.db2.gz	PLYRQHOPRVXUDZ-VLXJIEOASA-N	1	0	373.457	1.897	20	30		FDEDRO
COc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@]3(C)C2)ccn1	ZINC001091575667	952116425	/nfs/dbraw/zinc/11/64/25/952116425.db2.gz	CYRGMJVECHEZCX-UZLBHIALSA-N	1	0	365.437	1.884	20	30		FDEDRO
CCc1nc(C#N)cc(N[C@@H]2CC[C@H](CNC(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1	ZINC001091593525	952185957	/nfs/dbraw/zinc/18/59/57/952185957.db2.gz	JQATXUUJCXMYTQ-HRCADAONSA-N	1	0	370.501	1.949	20	30		FDEDRO
C[C@@H](c1cnccn1)[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@]2(C)C1	ZINC001091605607	952235440	/nfs/dbraw/zinc/23/54/40/952235440.db2.gz	ZGXKZJZSAVKIBW-KSMMKXTCSA-N	1	0	350.426	1.831	20	30		FDEDRO
C[C@]12CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]1C[N@H+](C[C@H]1CCc3ncnn31)C2	ZINC001091605627	952235802	/nfs/dbraw/zinc/23/58/02/952235802.db2.gz	ZUXZUNRCQFYTDT-MUKKUYKPSA-N	1	0	365.441	1.059	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1	ZINC001146918345	952264022	/nfs/dbraw/zinc/26/40/22/952264022.db2.gz	DVWUQKFEJPHNSP-NWDGAFQWSA-N	1	0	355.360	1.215	20	30		FDEDRO
CCc1nc(C#N)cc(N[C@@H]2CC[C@H](CNC(=O)[C@@H](C3CC3)[NH+](C)C)C2)n1	ZINC001091611150	952267426	/nfs/dbraw/zinc/26/74/26/952267426.db2.gz	KFMUMLKRYUZYGW-ZBQZNYHESA-N	1	0	370.501	1.948	20	30		FDEDRO
Cn1oc(C(=O)N2C[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@@]3(C)C2)cc1=O	ZINC001091628630	952375853	/nfs/dbraw/zinc/37/58/53/952375853.db2.gz	KUFPBGJTQYJJRK-UZLBHIALSA-N	1	0	366.421	1.444	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3ccncc3)C2)C1	ZINC001147583971	952444113	/nfs/dbraw/zinc/44/41/13/952444113.db2.gz	ZJHMWBPGJIIHJZ-RYQLBKOJSA-N	1	0	368.481	1.410	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3COC(=O)N3)C[C@H]1C[N@H+](Cc1ccc(C#N)s1)C2	ZINC001091641477	952447620	/nfs/dbraw/zinc/44/76/20/952447620.db2.gz	SUSHYQHSSFYXBV-ZLENFMNRSA-N	1	0	360.439	1.008	20	30		FDEDRO
C[C@@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1	ZINC001091655819	952518100	/nfs/dbraw/zinc/51/81/00/952518100.db2.gz	PUNPQOXCZVJANH-XPIZARPCSA-N	1	0	357.498	1.627	20	30		FDEDRO
C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1C[N@H+](CC[C@@H]1CCS(=O)(=O)C1)C2	ZINC001091659243	952518521	/nfs/dbraw/zinc/51/85/21/952518521.db2.gz	IKSOXMJBVFTZNS-LMMKCTJWSA-N	1	0	364.511	1.005	20	30		FDEDRO
COc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000772985629	952536038	/nfs/dbraw/zinc/53/60/38/952536038.db2.gz	UDQHPXZFYKKQKV-LTFJSZEESA-N	1	0	372.425	1.528	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cc(C(F)(F)F)n(C)n3)C[C@]2(C)C1	ZINC001091700396	952663736	/nfs/dbraw/zinc/66/37/36/952663736.db2.gz	OLLBTIBDTUBRLN-WBMJQRKESA-N	1	0	354.376	1.856	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2C[N@H+](CCN3CCNC3=O)C[C@@]2(C)C1	ZINC001091702009	952668972	/nfs/dbraw/zinc/66/89/72/952668972.db2.gz	NVDROOHGTPZBOB-KDOFPFPSSA-N	1	0	368.909	1.571	20	30		FDEDRO
C=C(Cl)CN1C[C@@H]2CN(C(=O)[C@@H](Cn3cccn3)N(C)C)C[C@]2(C)C1	ZINC001091737018	952764532	/nfs/dbraw/zinc/76/45/32/952764532.db2.gz	HDADDYGOGYOEEW-NUJGCVRESA-N	1	0	365.909	1.346	20	30		FDEDRO
C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCO[C@H]3c3cnn(C)c3)C[C@]2(C)C1	ZINC001091749259	952788212	/nfs/dbraw/zinc/78/82/12/952788212.db2.gz	GTRZDQPRIAFVQI-XSYGEPLQSA-N	1	0	358.486	1.854	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC3CC(F)(F)C3)C[C@@]2(C)C1	ZINC001091749599	952789209	/nfs/dbraw/zinc/78/92/09/952789209.db2.gz	NQRRFDBILJPVHV-AOIWGVFYSA-N	1	0	365.468	1.910	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@]3(C4CCCC4)CCNC3=O)C[C@]2(C)C1	ZINC001091750252	952790690	/nfs/dbraw/zinc/79/06/90/952790690.db2.gz	BDCHZHHICUFSAJ-QMMLZNLJSA-N	1	0	357.498	1.487	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1	ZINC001086852462	952861395	/nfs/dbraw/zinc/86/13/95/952861395.db2.gz	FDPHBFIYVJIERF-VHSXEESVSA-N	1	0	356.810	1.137	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cncc(OC)n3)C2)cn1	ZINC001086857799	952876889	/nfs/dbraw/zinc/87/68/89/952876889.db2.gz	WYZNBAFQVMXKJL-WMLDXEAASA-N	1	0	365.437	1.550	20	30		FDEDRO
COc1c(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)cnn1C	ZINC001086863943	952889884	/nfs/dbraw/zinc/88/98/84/952889884.db2.gz	VJWWPIBWKFZGTN-DLBZAZTESA-N	1	0	367.453	1.989	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(C(=O)NC)nc2)C1	ZINC001086855803	952901566	/nfs/dbraw/zinc/90/15/66/952901566.db2.gz	TXDIILQRNBACOB-GXTWGEPZSA-N	1	0	350.850	1.682	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccnc(C)n3)C2)C1=O	ZINC001086878235	952906248	/nfs/dbraw/zinc/90/62/48/952906248.db2.gz	FWYVKVNVWRZWIL-ZMSDIMECSA-N	1	0	357.458	1.060	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2nc3nc(C)cc(C)n3n2)C1	ZINC001086869311	952916604	/nfs/dbraw/zinc/91/66/04/952916604.db2.gz	BIOVLIWSGUBJKX-UONOGXRCSA-N	1	0	362.865	1.982	20	30		FDEDRO
CCc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1c1cnn(C)c1	ZINC001086970739	952972407	/nfs/dbraw/zinc/97/24/07/952972407.db2.gz	GNVLJUMEAYTLJN-PZPSRYQVSA-N	1	0	370.457	1.523	20	30		FDEDRO
Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1c1cnn(C)c1	ZINC001086971097	952973426	/nfs/dbraw/zinc/97/34/26/952973426.db2.gz	WZGZUBAMKOPFSI-UWWQBHOKSA-N	1	0	352.442	1.367	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccnn2CC(F)F)C[C@H]1c1cnn(C)c1	ZINC001086979285	952992615	/nfs/dbraw/zinc/99/26/15/952992615.db2.gz	SJZMRHKFEBOXRX-UONOGXRCSA-N	1	0	364.400	1.266	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3cn[nH]c32)C[C@H]1c1cnn(C)c1	ZINC001086979367	952992725	/nfs/dbraw/zinc/99/27/25/952992725.db2.gz	XEULHMZLQAPZCK-FGTMMUONSA-N	1	0	368.485	1.723	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2ccnc2CC)C[C@H]1c1cnn(C)c1	ZINC001086979782	952993522	/nfs/dbraw/zinc/99/35/22/952993522.db2.gz	RNBFUDWIUGVNRE-RYQLBKOJSA-N	1	0	370.501	1.900	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@H]1c1cnn(C)c1	ZINC001086983501	952997251	/nfs/dbraw/zinc/99/72/51/952997251.db2.gz	SSKNLKXVZTWABJ-XLMAVXFVSA-N	1	0	354.458	1.407	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)C[C@H](C)CC3)C[C@H]1c1cnn(C)c1	ZINC001086983985	952998320	/nfs/dbraw/zinc/99/83/20/952998320.db2.gz	SLXPFDUDSWEOAS-HYVNUMGLSA-N	1	0	368.485	1.583	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)nnn3C)C[C@H]1c1cnn(C)c1	ZINC001086984660	952999421	/nfs/dbraw/zinc/99/94/21/952999421.db2.gz	WZKBPRTVALLAHF-DOTOQJQBSA-N	1	0	365.441	1.086	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccc3ncn(C)c32)C[C@H]1c1cnn(C)c1	ZINC001086985015	953000609	/nfs/dbraw/zinc/00/06/09/953000609.db2.gz	PECILINOTGVFEC-FUHWJXTLSA-N	1	0	364.453	1.691	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCCO3)C[C@H]1c1cnn(C)c1	ZINC001086987452	953010110	/nfs/dbraw/zinc/01/01/10/953010110.db2.gz	SYIQKNPQDMAZAJ-DOTOQJQBSA-N	1	0	370.457	1.173	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2nc(C)cs2)C[C@H]1c1cnn(C)c1	ZINC001086987804	953011232	/nfs/dbraw/zinc/01/12/32/953011232.db2.gz	NYKHHZAPQPTQME-JKSUJKDBSA-N	1	0	357.483	1.335	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2cnn(C)c2)C[C@H]1c1cnn(C)c1	ZINC001086988309	953012235	/nfs/dbraw/zinc/01/22/35/953012235.db2.gz	PPRBIHWVXOGOTR-FHLIZLRMSA-N	1	0	356.474	1.417	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)nc2C2CC2)C[C@H]1c1cnn(C)c1	ZINC001086989846	953015741	/nfs/dbraw/zinc/01/57/41/953015741.db2.gz	XBNBTJCCPKEGGM-RBUKOAKNSA-N	1	0	363.465	1.832	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC[C@@H]2CCOC2)C1	ZINC001086990490	953018028	/nfs/dbraw/zinc/01/80/28/953018028.db2.gz	FRPJWIJXTKTONZ-BPQIPLTHSA-N	1	0	360.502	1.943	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2nccnc2C)C1	ZINC001086990821	953019120	/nfs/dbraw/zinc/01/91/20/953019120.db2.gz	WMCCBQYAULUDCI-FUHWJXTLSA-N	1	0	368.485	1.815	20	30		FDEDRO
CN1CCC(CNS(=O)(=O)c2cc(Cl)ccc2C#N)([NH+](C)C)CC1	ZINC001196691114	971890347	/nfs/dbraw/zinc/89/03/47/971890347.db2.gz	CPMYMKJZAFHJRT-UHFFFAOYSA-N	1	0	370.906	1.516	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cn2ccc(C)n2)C[C@H]1c1cnn(C)c1	ZINC001086981122	953031810	/nfs/dbraw/zinc/03/18/10/953031810.db2.gz	PZTURYFLXHYSKI-JCGIZDLHSA-N	1	0	356.474	1.331	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3ncncc3C2)C[C@H]1c1cnn(C)c1	ZINC001086982198	953035125	/nfs/dbraw/zinc/03/51/25/953035125.db2.gz	YFJUHQLYYWIAJE-DKSSEZFCSA-N	1	0	366.469	1.085	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3ccncc3C2)C[C@H]1c1cnn(C)c1	ZINC001086997168	953039402	/nfs/dbraw/zinc/03/94/02/953039402.db2.gz	PKUYIRMRLQNWPJ-AYOQOUSVSA-N	1	0	351.454	1.300	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(F)c(F)c(F)c2)C[C@H]1c1cnn(C)c1	ZINC001086998390	953042630	/nfs/dbraw/zinc/04/26/30/953042630.db2.gz	IFPDFDLZWOPHII-XJKSGUPXSA-N	1	0	362.355	1.668	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2noc3c2CCCCC3)C[C@H]1c1cnn(C)c1	ZINC001086999349	953046525	/nfs/dbraw/zinc/04/65/25/953046525.db2.gz	BPKPWBJQNQTFAL-DLBZAZTESA-N	1	0	367.453	1.508	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C[C@H]1c1cnn(C)c1	ZINC001086999817	953048162	/nfs/dbraw/zinc/04/81/62/953048162.db2.gz	XOGMIVNFJYMSOJ-WMLDXEAASA-N	1	0	366.425	1.386	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3cccnc3c2)C[C@H]1c1cnn(C)c1	ZINC001087002171	953057049	/nfs/dbraw/zinc/05/70/49/953057049.db2.gz	LNCQLBPBSPJVNP-AZUAARDMSA-N	1	0	359.433	1.799	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn3nccc3nc2C)C[C@H]1c1cnn(C)c1	ZINC001087004186	953061640	/nfs/dbraw/zinc/06/16/40/953061640.db2.gz	KLUBKISHLUDSET-DLBZAZTESA-N	1	0	365.441	1.155	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCC3CC3)C2)nc1	ZINC001087006150	953089499	/nfs/dbraw/zinc/08/94/99/953089499.db2.gz	LCFIYOOLXFPYBJ-AZUAARDMSA-N	1	0	363.465	1.794	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COc2ccccc2OC)C[C@H]1c1cnn(C)c1	ZINC001087009220	953097149	/nfs/dbraw/zinc/09/71/49/953097149.db2.gz	WHLRWNJPZBNTEO-DLBZAZTESA-N	1	0	368.437	1.025	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CC2CCC(OC)CC2)C[C@H]1c1cnn(C)c1	ZINC001087012268	953106391	/nfs/dbraw/zinc/10/63/91/953106391.db2.gz	OGMZULDTHXAYFR-SOTJZCEJSA-N	1	0	358.486	1.533	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)OC)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001087031539	953128334	/nfs/dbraw/zinc/12/83/34/953128334.db2.gz	FZUMUYSVRGHCSD-MZMPZRCHSA-N	1	0	363.433	1.685	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)OC)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001087031979	953129925	/nfs/dbraw/zinc/12/99/25/953129925.db2.gz	UGFKSCQRSUPBHT-MZMPZRCHSA-N	1	0	363.433	1.685	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001087035697	953145733	/nfs/dbraw/zinc/14/57/33/953145733.db2.gz	KFGPDFYNPGJRHU-FDQGKXFDSA-N	1	0	358.417	1.810	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1sc(C)nc1C	ZINC001087035660	953145737	/nfs/dbraw/zinc/14/57/37/953145737.db2.gz	IXWJKFFKEBONDJ-NILFDRSVSA-N	1	0	350.488	1.873	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1cnc(Cl)s1	ZINC001087035631	953145770	/nfs/dbraw/zinc/14/57/70/953145770.db2.gz	ICSLURMCTRJEDI-NQBHXWOUSA-N	1	0	356.879	1.909	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1cn(C(C)C)nc1C	ZINC001087035869	953146263	/nfs/dbraw/zinc/14/62/63/953146263.db2.gz	PIHVSDIEROVPCX-BMGDILEWSA-N	1	0	361.490	1.885	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1cc2n(n1)CCCC2	ZINC001087035840	953146325	/nfs/dbraw/zinc/14/63/25/953146325.db2.gz	OGBNJTLEOPNJCY-IIDMSEBBSA-N	1	0	359.474	1.332	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001087035905	953146400	/nfs/dbraw/zinc/14/64/00/953146400.db2.gz	QTDMXMGOEFBVHC-MZMPZRCHSA-N	1	0	358.417	1.810	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C[C@H]2CCOC2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087037574	953150470	/nfs/dbraw/zinc/15/04/70/953150470.db2.gz	SKRMONPIKPCETG-NSISKUIASA-N	1	0	371.481	1.938	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1ccc(F)cn1	ZINC001087040225	953157245	/nfs/dbraw/zinc/15/72/45/953157245.db2.gz	XPLWGEXXEAMZEF-RDTXWAMCSA-N	1	0	371.416	1.687	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1cn(CC2CC2)nn1	ZINC001087053441	953185850	/nfs/dbraw/zinc/18/58/50/953185850.db2.gz	OURWJJJTIMKNGA-IEBWSBKVSA-N	1	0	371.485	1.055	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnon2)[C@H](OCC)C1	ZINC001087054852	953188488	/nfs/dbraw/zinc/18/84/88/953188488.db2.gz	HJZDRYPEBCRZQH-MXASKKJJSA-N	1	0	364.446	1.004	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1oc(C)nc1C	ZINC001087046115	953193248	/nfs/dbraw/zinc/19/32/48/953193248.db2.gz	LNXPRVBHXPIYQA-RDTXWAMCSA-N	1	0	371.441	1.758	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nonc3C)[C@H](OCC)C2)cc1	ZINC001087071605	953226115	/nfs/dbraw/zinc/22/61/15/953226115.db2.gz	YCBBNBSCJVDHCV-IEBWSBKVSA-N	1	0	368.437	1.626	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3cncn3C)[C@H](OCC)C2)c1	ZINC001087082752	953241642	/nfs/dbraw/zinc/24/16/42/953241642.db2.gz	XURNQEBRDKXMAQ-IEBWSBKVSA-N	1	0	367.453	1.063	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087103667	953276701	/nfs/dbraw/zinc/27/67/01/953276701.db2.gz	SKNOQIJJBHGMML-RTBURBONSA-N	1	0	367.453	1.408	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3sccc3-n3ccnn3)C[C@]2(C)C1	ZINC001091768370	953291256	/nfs/dbraw/zinc/29/12/56/953291256.db2.gz	BFUIDLDMONFJDT-KDOFPFPSSA-N	1	0	355.467	1.746	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C[C@]2(C)C1	ZINC001091785845	953303758	/nfs/dbraw/zinc/30/37/58/953303758.db2.gz	OGIBNIVECPQAAR-NYTXWWLZSA-N	1	0	362.392	1.689	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@H]2C[N@@H+]([C@H](CC)C(N)=O)C[C@@]2(C)C1	ZINC001091793271	953316533	/nfs/dbraw/zinc/31/65/33/953316533.db2.gz	CYNUBIIMXCKVJY-CEQIKUNHSA-N	1	0	371.481	1.909	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N[C@H]1CCN(c2cc(C#N)nc(CC)n2)[C@@H]1CC	ZINC001091796032	953321963	/nfs/dbraw/zinc/32/19/63/953321963.db2.gz	UAMKJFYVYPRICH-JKSUJKDBSA-N	1	0	358.490	1.726	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cnc4sccn4c3=O)C[C@]2(C)C1	ZINC001091832756	953377792	/nfs/dbraw/zinc/37/77/92/953377792.db2.gz	GGNREVQKYQOSPC-ACJLOTCBSA-N	1	0	356.451	1.173	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccccc3OCC(N)=O)C[C@]2(C)C1	ZINC001091835652	953394766	/nfs/dbraw/zinc/39/47/66/953394766.db2.gz	VICHGOYWDWLDEV-QRWLVFNGSA-N	1	0	357.454	1.521	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1c1nc(C)cc(C#N)n1	ZINC001091821036	953479387	/nfs/dbraw/zinc/47/93/87/953479387.db2.gz	IFINJVOHFTYEMT-JKSUJKDBSA-N	1	0	356.474	1.472	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)C[C@]2(C)C1	ZINC001091881582	953511027	/nfs/dbraw/zinc/51/10/27/953511027.db2.gz	OXYOZJXXRWEGQI-KUHUBIRLSA-N	1	0	355.442	1.301	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@H]21	ZINC000961994499	1013115940	/nfs/dbraw/zinc/11/59/40/1013115940.db2.gz	JNGQTUMNSXHOKV-APWQULEDSA-N	1	0	361.486	1.025	20	30		FDEDRO
Cc1nc(N2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@@H]3C2)ccc1C#N	ZINC001091857052	953566130	/nfs/dbraw/zinc/56/61/30/953566130.db2.gz	VTZLYJBOYVPMQH-MSOLQXFVSA-N	1	0	371.485	1.125	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)c3nc(C)n(-c4nc[nH]n4)n3)C[C@]2(C)C1	ZINC001091898989	953739396	/nfs/dbraw/zinc/73/93/96/953739396.db2.gz	CMQAVSOSLDPXFJ-KDOFPFPSSA-N	1	0	370.461	1.054	20	30		FDEDRO
C[C@]12CN(C(=O)C3(C(N)=O)CC3)C[C@H]1C[N@H+](Cc1ccc(C#N)c(F)c1)C2	ZINC001091971012	953772120	/nfs/dbraw/zinc/77/21/20/953772120.db2.gz	LMJWFKCLPHPMGM-BEFAXECRSA-N	1	0	370.428	1.243	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN(C(C)(C)C)C3=O)C[C@]2(C)C1	ZINC001091943178	953801376	/nfs/dbraw/zinc/80/13/76/953801376.db2.gz	XCPUYBFUUMOFCW-LZJOCLMNSA-N	1	0	359.514	1.827	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4nnn(C)c4C3)C[C@]2(C)C1	ZINC001091956832	953848845	/nfs/dbraw/zinc/84/88/45/953848845.db2.gz	PUDZUZKNZIBYQI-YRNRMSPPSA-N	1	0	357.502	1.667	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)C(C)(C)C(F)F)C[C@]3(C)C2)C1=O	ZINC001091994664	953908957	/nfs/dbraw/zinc/90/89/57/953908957.db2.gz	OVSFXXSKFTUHJZ-LPMFXHHGSA-N	1	0	369.456	1.845	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3C[N@@H+](Cc4cnc(C)nc4)C[C@@]3(C)C2)c1	ZINC001091997134	953914149	/nfs/dbraw/zinc/91/41/49/953914149.db2.gz	NEKGOBNFLDXBPC-CTNGQTDRSA-N	1	0	361.449	1.755	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3C[N@@H+]([C@@H]4CCN(CC)C4=O)C[C@@]3(C)C2)c1	ZINC001091997517	953915479	/nfs/dbraw/zinc/91/54/79/953915479.db2.gz	IEEYHBSWAQEURN-OPYAIIAOSA-N	1	0	366.465	1.078	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CCN1c1nccnc1C#N	ZINC001092030984	954132665	/nfs/dbraw/zinc/13/26/65/954132665.db2.gz	CAUPCHROFFTEHG-CABCVRRESA-N	1	0	356.474	1.696	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3C[N@@H+](Cc4nccnc4C)C[C@@]3(C)C2)nn1	ZINC001092078790	954224391	/nfs/dbraw/zinc/22/43/91/954224391.db2.gz	CBFHEBNOWUXLCH-BEFAXECRSA-N	1	0	367.457	1.157	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3C[N@@H+]([C@H](C)c4cnccn4)C[C@@]3(C)C2)nn1	ZINC001092078823	954226152	/nfs/dbraw/zinc/22/61/52/954226152.db2.gz	DLPJIICYBYFFQI-CLCXKQKWSA-N	1	0	367.457	1.409	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3C[N@@H+](Cc4conc4CC)C[C@@]3(C)C2)nn1	ZINC001092082401	954230162	/nfs/dbraw/zinc/23/01/62/954230162.db2.gz	XRDBZAQRWSGQPP-BEFAXECRSA-N	1	0	370.457	1.609	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H]3NC(=O)c4ccccc43)C[C@]2(C)C1	ZINC001092117316	954355177	/nfs/dbraw/zinc/35/51/77/954355177.db2.gz	RXERTWKLYOVIPX-YWMUFLPLSA-N	1	0	351.450	1.665	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)Cc4ccco4)C[C@]3(C)C2)C1=O	ZINC001092118392	954356275	/nfs/dbraw/zinc/35/62/75/954356275.db2.gz	JEULEXPXUIZVNE-MDYRTPRTSA-N	1	0	357.454	1.389	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CCCS(=O)(=O)C3)C[C@]2(C)C1	ZINC001092180155	954470568	/nfs/dbraw/zinc/47/05/68/954470568.db2.gz	QRFUERNDELQOJQ-JZXOWHBKSA-N	1	0	354.516	1.558	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@]3(C)CCS(=O)(=O)N3)C[C@]2(C)C1	ZINC001092230812	954574929	/nfs/dbraw/zinc/57/49/29/954574929.db2.gz	MSCFXLCUNIAHCJ-NJAFHUGGSA-N	1	0	369.531	1.205	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@H]2C[N@@H+]([C@@H](C)COC)C[C@@]2(C)C1	ZINC001092210200	954616145	/nfs/dbraw/zinc/61/61/45/954616145.db2.gz	HADHZOSCXQZBPL-YRNRMSPPSA-N	1	0	357.454	1.522	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3nc4nc(C)cc(C)n4n3)C[C@]2(C)C1	ZINC001092249619	954706462	/nfs/dbraw/zinc/70/64/62/954706462.db2.gz	VPHQXLZMQGXNTG-BEFAXECRSA-N	1	0	354.458	1.711	20	30		FDEDRO
C[C@]12CN(C(=O)Cn3cncn3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001092256441	954716967	/nfs/dbraw/zinc/71/69/67/954716967.db2.gz	MAWLAFQPPXUNDH-MJGOQNOKSA-N	1	0	350.426	1.130	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(=O)C(C)C)C[C@]2(C)C1	ZINC001092298197	954736916	/nfs/dbraw/zinc/73/69/16/954736916.db2.gz	RSHHIJOSLHKKNP-LQWHRVPQSA-N	1	0	359.514	1.827	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(Cc4ncc(C)o4)C[C@@]3(C)C2)CC1	ZINC001092300262	954749102	/nfs/dbraw/zinc/74/91/02/954749102.db2.gz	UKICVDOCLKHOEX-NQIIRXRSSA-N	1	0	370.497	1.609	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccnc(-n4cncn4)c3)C[C@]2(C)C1	ZINC001092319637	954831174	/nfs/dbraw/zinc/83/11/74/954831174.db2.gz	VAJIVJFWYLCPLU-APWZRJJASA-N	1	0	350.426	1.080	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1C[C@H]2CN(c3nc(C)cc(C#N)n3)C[C@@]2(C)C1	ZINC001092293033	954897656	/nfs/dbraw/zinc/89/76/56/954897656.db2.gz	FAARHSCSSJWSGW-OXJNMPFZSA-N	1	0	370.501	1.673	20	30		FDEDRO
Cc1nsc(N2C[C@@H](CNC(=O)C[C@H]3CC[N@H+](C)C3)[C@H](C)C2)c1C#N	ZINC001092384756	954982910	/nfs/dbraw/zinc/98/29/10/954982910.db2.gz	HLZZCHXGDGFLIR-BPLDGKMQSA-N	1	0	361.515	1.854	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1C	ZINC001092366614	955033321	/nfs/dbraw/zinc/03/33/21/955033321.db2.gz	PAONNDGANHFQJM-BRWVUGGUSA-N	1	0	371.485	1.110	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CN(c2ncccc2C#N)C[C@H]1C	ZINC001092366903	955034567	/nfs/dbraw/zinc/03/45/67/955034567.db2.gz	YBKJFKTXZZBUAA-SOLBZPMBSA-N	1	0	371.485	1.110	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C2)n1	ZINC001092437601	955096799	/nfs/dbraw/zinc/09/67/99/955096799.db2.gz	ZAKFEODTPKEBGX-HUUCEWRRSA-N	1	0	358.490	1.441	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C	ZINC001092445958	955122534	/nfs/dbraw/zinc/12/25/34/955122534.db2.gz	DPKDUXZQTQNQBU-HUUCEWRRSA-N	1	0	358.490	1.515	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C	ZINC001092446399	955123434	/nfs/dbraw/zinc/12/34/34/955123434.db2.gz	VEJXBDRRTAWLJE-HUUCEWRRSA-N	1	0	358.490	1.515	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@@H](CNC(=O)[C@@H](C3CC3)[NH+](C)C)[C@H](C)C2)n1	ZINC001092416358	955149658	/nfs/dbraw/zinc/14/96/58/955149658.db2.gz	WZTOGGHHLQPWJD-FSPWUOQZSA-N	1	0	355.486	1.790	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H](CNC(=O)c3cnn(C)c3)[C@H](C)C2)cc1C#N	ZINC001092454396	955161946	/nfs/dbraw/zinc/16/19/46/955161946.db2.gz	IWTOOBQVDQBYCZ-RHSMWYFYSA-N	1	0	367.453	1.798	20	30		FDEDRO
NC(=NOCC(=O)NC1CCOCC1)c1ccccc1C[NH+]1CCCCC1	ZINC000102766930	972082206	/nfs/dbraw/zinc/08/22/06/972082206.db2.gz	CHBZCQDPFRUHJJ-UHFFFAOYSA-N	1	0	374.485	1.605	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3n[nH]c(C)c3C)[C@H](C)C2)C1=O	ZINC001092514262	955297849	/nfs/dbraw/zinc/29/78/49/955297849.db2.gz	CAJYLDNNJWYXJJ-DAXOMENPSA-N	1	0	359.474	1.111	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CCNC(=O)CC[NH+]1CCCCC1	ZINC001092523181	955319135	/nfs/dbraw/zinc/31/91/35/955319135.db2.gz	AVCVBEQSYOQZDO-IAGOWNOFSA-N	1	0	370.501	1.803	20	30		FDEDRO
C[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC001092526813	955331855	/nfs/dbraw/zinc/33/18/55/955331855.db2.gz	BVCLFSOSKQMGHE-SIIHOXLZSA-N	1	0	369.469	1.337	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)[C@@H]1CCOC1	ZINC001092492487	955347665	/nfs/dbraw/zinc/34/76/65/955347665.db2.gz	WECMQSXCERMRPH-KBAYOESNSA-N	1	0	357.454	1.810	20	30		FDEDRO
CC(C)N1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)C1=O	ZINC001092546317	955379301	/nfs/dbraw/zinc/37/93/01/955379301.db2.gz	PMFHALZIJWIMRF-CPUCHLNUSA-N	1	0	357.458	1.193	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001092551742	955405371	/nfs/dbraw/zinc/40/53/71/955405371.db2.gz	PTLCIYUGHBVDBN-MDYRTPRTSA-N	1	0	367.497	1.874	20	30		FDEDRO
C[C@@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)[C@H](C)C1	ZINC001092555698	955429648	/nfs/dbraw/zinc/42/96/48/955429648.db2.gz	UQROWRSIHUIYDH-HLLBOEOZSA-N	1	0	371.485	1.585	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1COCCN1C	ZINC001092555711	955431053	/nfs/dbraw/zinc/43/10/53/955431053.db2.gz	VGANJOSIQBKGPE-RLLQIKCJSA-N	1	0	355.482	1.053	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)NC2CCCCC2)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC001092531096	955489845	/nfs/dbraw/zinc/48/98/45/955489845.db2.gz	SJUOIUAJLFANIO-GDBMZVCRSA-N	1	0	371.485	1.633	20	30		FDEDRO
Cc1cc(N2C[C@@H](C)[C@H](CCNC(=O)C34CC[NH+](CC3)C4)C2)c(C#N)cn1	ZINC001092531656	955492667	/nfs/dbraw/zinc/49/26/67/955492667.db2.gz	NDTYWHHZVFITKZ-NVXWUHKLSA-N	1	0	367.497	1.936	20	30		FDEDRO
C[C@@H]1CN(c2ccncc2C#N)C[C@H]1CCNC(=O)COCC[NH+](C)C	ZINC001092532822	955499933	/nfs/dbraw/zinc/49/99/33/955499933.db2.gz	UQSBFEJCFUAGDV-HZPDHXFCSA-N	1	0	359.474	1.110	20	30		FDEDRO
CC(C)[C@H](C(=O)NCC[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C)[NH+](C)C	ZINC001092533744	955505198	/nfs/dbraw/zinc/50/51/98/955505198.db2.gz	ZAYAFVVJEBNQJF-IIDMSEBBSA-N	1	0	358.490	1.513	20	30		FDEDRO
CCn1ncc(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2C)n1	ZINC001092590066	955568764	/nfs/dbraw/zinc/56/87/64/955568764.db2.gz	KWTMGBXHFNQHGK-CZUORRHYSA-N	1	0	370.432	1.807	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2CN(c3cnc(C#N)cn3)C[C@H]2C)CC[N@@H+]1C	ZINC001092598204	955602971	/nfs/dbraw/zinc/60/29/71/955602971.db2.gz	PXTSENMJKKLFBW-XYVMCAHJSA-N	1	0	370.501	1.657	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)c1cnnn1C	ZINC001092582933	955726887	/nfs/dbraw/zinc/72/68/87/955726887.db2.gz	ZRRBMLKLGUWGPV-IUODEOHRSA-N	1	0	356.405	1.324	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1C	ZINC001092615939	955826022	/nfs/dbraw/zinc/82/60/22/955826022.db2.gz	SOTFOXCZFNJRLU-AHCXZYCDSA-N	1	0	363.502	1.273	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cnc(C)cn2)C[C@H]1C	ZINC001092617374	955831975	/nfs/dbraw/zinc/83/19/75/955831975.db2.gz	NDDHTKSKWIPYNO-OPNNQBFTSA-N	1	0	358.486	1.950	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@@H]1C[N@H+](Cc2cncc(OC)n2)C[C@H]1C	ZINC001092677937	955996642	/nfs/dbraw/zinc/99/66/42/955996642.db2.gz	QXPDTJMPPPZYNC-HZPDHXFCSA-N	1	0	369.469	1.971	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@@H]1CCCNC1=O	ZINC001092699995	956084908	/nfs/dbraw/zinc/08/49/08/956084908.db2.gz	ZPJPLJCTANVZRK-ZTFGCOKTSA-N	1	0	354.454	1.269	20	30		FDEDRO
CC(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1N(c1cnc(C#N)cn1)CC2)[NH+](C)C	ZINC001092700430	956088931	/nfs/dbraw/zinc/08/89/31/956088931.db2.gz	BGGKXQUYUHRXJS-IMFGXOCKSA-N	1	0	370.501	1.800	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)c3c[nH]nc3CC)[C@H](C)C2)C1=O	ZINC001092765418	956310778	/nfs/dbraw/zinc/31/07/78/956310778.db2.gz	WSGDWNUUMRXQTQ-CKEIUWERSA-N	1	0	359.474	1.057	20	30		FDEDRO
COc1cnc(C(=O)NC[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)nc1	ZINC001092809469	956383213	/nfs/dbraw/zinc/38/32/13/956383213.db2.gz	ANUVKTWDPGICNX-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CCOCC)c2)C1	ZINC001197274558	972185065	/nfs/dbraw/zinc/18/50/65/972185065.db2.gz	SDTQRZFJBHNXNN-DJIMGWMZSA-N	1	0	350.463	1.049	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3ccc(C)c(C)n3)[C@H](C)C2)C1=O	ZINC001092830909	956567893	/nfs/dbraw/zinc/56/78/93/956567893.db2.gz	IXQKSYWFEAFATF-SUMDDJOVSA-N	1	0	370.497	1.783	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]2C)cc1	ZINC001092874573	956614145	/nfs/dbraw/zinc/61/41/45/956614145.db2.gz	OQXVGESNGWWNCM-CRAIPNDOSA-N	1	0	367.449	1.115	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@H]3CCN(CC)C3=O)C[C@H]2C)cc1	ZINC001092876793	956624151	/nfs/dbraw/zinc/62/41/51/956624151.db2.gz	MFNFUAFMOIRKNS-LZQZEXGQSA-N	1	0	353.466	1.586	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC3CCCC3)C[C@H]2C)c1	ZINC001092952599	956885932	/nfs/dbraw/zinc/88/59/32/956885932.db2.gz	NPHNFQBBIPMTCX-CRAIPNDOSA-N	1	0	368.481	1.419	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]2C)c1	ZINC001092952611	956886646	/nfs/dbraw/zinc/88/66/46/956886646.db2.gz	OACGDGQNIHILGY-ZTFGCOKTSA-N	1	0	364.453	1.140	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@H]2C)c1	ZINC001092952890	956888368	/nfs/dbraw/zinc/88/83/68/956888368.db2.gz	UNHYGNBHFZPFIH-RHSMWYFYSA-N	1	0	371.872	1.911	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[N@H+](Cc3c(C)nnn3CC)C[C@H]2C)c1	ZINC001092952858	956888599	/nfs/dbraw/zinc/88/85/99/956888599.db2.gz	STHMWDMRKUNJFN-RDTXWAMCSA-N	1	0	366.469	1.481	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nc[nH]n3)cc2)C1	ZINC001197442362	972232218	/nfs/dbraw/zinc/23/22/18/972232218.db2.gz	XZTRRHBQCRNITK-KBRIMQKVSA-N	1	0	355.442	1.601	20	30		FDEDRO
N#Cc1cnc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC[NH+]2CCCC2)C3)cn1	ZINC001092980456	956983669	/nfs/dbraw/zinc/98/36/69/956983669.db2.gz	WONNDESOEQNBLH-ZACQAIPSSA-N	1	0	354.458	1.450	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1)[NH+]1CCCC1	ZINC001092982588	956988962	/nfs/dbraw/zinc/98/89/62/956988962.db2.gz	ZGVVJZMVBGUOEW-JEWRLFTDSA-N	1	0	368.485	1.695	20	30		FDEDRO
C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cccc(F)c1C#N	ZINC001092994447	957081537	/nfs/dbraw/zinc/08/15/37/957081537.db2.gz	OCKATMIUDINDBE-QBIMZIAESA-N	1	0	360.433	1.501	20	30		FDEDRO
CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1)C(C)C	ZINC001092998962	957098363	/nfs/dbraw/zinc/09/83/63/957098363.db2.gz	DUAQDFXQTFPMBZ-VXNCWWDNSA-N	1	0	370.501	1.941	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N	ZINC001093019234	957146395	/nfs/dbraw/zinc/14/63/95/957146395.db2.gz	ZXOUQBFDYQPGIA-CTASWTNQSA-N	1	0	360.437	1.254	20	30		FDEDRO
CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1)[NH+](CC)CC	ZINC001093043431	957206844	/nfs/dbraw/zinc/20/68/44/957206844.db2.gz	QVNYKJVUNXXOCE-NCOADZHNSA-N	1	0	356.474	1.695	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1C	ZINC001093048959	957218245	/nfs/dbraw/zinc/21/82/45/957218245.db2.gz	PLVFAEQOUCDUOM-FPAYPSAMSA-N	1	0	360.502	1.628	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@H+]([C@@H](C)c3ncc(C)o3)C[C@H]2C)nn1	ZINC001093035075	957252737	/nfs/dbraw/zinc/25/27/37/957252737.db2.gz	LPNNSNPWKHRALC-VHDGCEQUSA-N	1	0	358.446	1.819	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@H+]([C@H](C)c3cnc(C)cn3)C[C@H]2C)nn1	ZINC001093035293	957253573	/nfs/dbraw/zinc/25/35/73/957253573.db2.gz	WUMMWUBKYIVXPT-FVQBIDKESA-N	1	0	369.473	1.621	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@H+](C[C@H](OC)C3CCC3)C[C@H]2C)nn1	ZINC001093035227	957253952	/nfs/dbraw/zinc/25/39/52/957253952.db2.gz	TUNSIDPQGGOSOH-KYJSFNMBSA-N	1	0	361.490	1.577	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ncc(C#N)cc2F)CC1	ZINC001093037506	957258238	/nfs/dbraw/zinc/25/82/38/957258238.db2.gz	MFWROFWXENALEU-BMFZPTHFSA-N	1	0	357.433	1.660	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1C	ZINC001093039008	957261171	/nfs/dbraw/zinc/26/11/71/957261171.db2.gz	CPBHBWTWBFRRAX-LMSBXDPUSA-N	1	0	361.490	1.371	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2CN(c2ncc(C#N)cc2F)C3)CC1	ZINC001093105035	957461410	/nfs/dbraw/zinc/46/14/10/957461410.db2.gz	UIONOWXQPPRNLO-YWZLYKJASA-N	1	0	371.460	1.909	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccnc(OC)c3)C[C@H]2C)nc1	ZINC001093138238	957631589	/nfs/dbraw/zinc/63/15/89/957631589.db2.gz	ULWHCAIUROSPBP-CRAIPNDOSA-N	1	0	364.449	1.964	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@H]3CCN(CC=C)C3=O)C[C@H]2C)nc1	ZINC001093140513	957637355	/nfs/dbraw/zinc/63/73/55/957637355.db2.gz	CJXGJHASFIIEBR-SUMDDJOVSA-N	1	0	366.465	1.148	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3c(C)nnn3CC)C[C@H]2C)cn1	ZINC001093142742	957638142	/nfs/dbraw/zinc/63/81/42/957638142.db2.gz	ABGQBRJKCZQOOG-RHSMWYFYSA-N	1	0	366.469	1.481	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1C	ZINC001093143379	957641752	/nfs/dbraw/zinc/64/17/52/957641752.db2.gz	DJELZUJGCNPZLV-KURKYZTESA-N	1	0	371.481	1.960	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCS(=O)(=O)N(C)C)C2	ZINC001110140884	957645565	/nfs/dbraw/zinc/64/55/65/957645565.db2.gz	SUDPVQQNEQZGGH-IKGGRYGDSA-N	1	0	373.563	1.960	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N2C[C@@H]3CCC[C@]3(CNc3cnc(C#N)cn3)C2)CC1	ZINC001093128732	957665228	/nfs/dbraw/zinc/66/52/28/957665228.db2.gz	TTZRMNSAHBBUEI-YWZLYKJASA-N	1	0	368.485	1.731	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N2C[C@@H]3CCC[C@]3(CNc3ccc(C#N)nn3)C2)CC1	ZINC001093128819	957665846	/nfs/dbraw/zinc/66/58/46/957665846.db2.gz	XMMBUDKUMGHENV-YWZLYKJASA-N	1	0	368.485	1.731	20	30		FDEDRO
C=CCN1CCN(C(=O)c2cccc(CN3CCC[N@@H+](C)CC3)c2)CC1	ZINC001197500001	972285489	/nfs/dbraw/zinc/28/54/89/972285489.db2.gz	QTSANFIMCOVRPC-UHFFFAOYSA-N	1	0	356.514	1.768	20	30		FDEDRO
COc1c(C(=O)NC[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)cnn1C	ZINC001093162595	957710160	/nfs/dbraw/zinc/71/01/60/957710160.db2.gz	SWUIQRQSCZHZLD-RHSMWYFYSA-N	1	0	367.453	1.798	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3cncnc3C)C[C@H]2C)C1=O	ZINC001093270596	957903365	/nfs/dbraw/zinc/90/33/65/957903365.db2.gz	ACIJFELMHAAQOK-QGPMSJSTSA-N	1	0	371.485	1.260	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3cc(C)no3)C[C@H]2C)C1=O	ZINC001093272116	957940400	/nfs/dbraw/zinc/94/04/00/957940400.db2.gz	SKBIEELFPMTCNE-FVQBIDKESA-N	1	0	360.458	1.458	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)C3(CF)CCC3)C[C@H]2C)C1=O	ZINC001093285725	957969256	/nfs/dbraw/zinc/96/92/56/957969256.db2.gz	UAIASYKQTUUBNX-BRWVUGGUSA-N	1	0	365.493	1.987	20	30		FDEDRO
C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1	ZINC001093373970	958015700	/nfs/dbraw/zinc/01/57/00/958015700.db2.gz	WHJJGWYIULVZTF-BHIYHBOVSA-N	1	0	361.530	1.985	20	30		FDEDRO
C=C[C@H]1C[C@@]1(NC(=O)c1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C(=O)OCC	ZINC001197619196	972313185	/nfs/dbraw/zinc/31/31/85/972313185.db2.gz	HNBYZXWQKUIZSL-QKLQHJQFSA-N	1	0	358.438	1.491	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnsn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093432114	958056899	/nfs/dbraw/zinc/05/68/99/958056899.db2.gz	APWYWNZPOJKGQV-OEYIWLLWSA-N	1	0	370.906	1.870	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093432131	958057158	/nfs/dbraw/zinc/05/71/58/958057158.db2.gz	BCBPGWKAADXSRI-SOAMZJECSA-N	1	0	358.486	1.941	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093436966	958068721	/nfs/dbraw/zinc/06/87/21/958068721.db2.gz	MTVVBXQXSYWDGE-GFOCRRMGSA-N	1	0	366.893	1.752	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(C)c3N)[C@H]2C(C)C)C[C@H]1O	ZINC001093441575	958077995	/nfs/dbraw/zinc/07/79/95/958077995.db2.gz	BXQJCMVDYKTIRG-JEWRLFTDSA-N	1	0	361.490	1.158	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)c2ccc(C#N)[nH]2)C[C@]12C[C@@H](O)[C@H]([NH2+]CC1CC1)C2	ZINC001093441794	958078696	/nfs/dbraw/zinc/07/86/96/958078696.db2.gz	DVWMMVZVGSSDHJ-XSYGEPLQSA-N	1	0	356.470	1.876	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnnn3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001093443446	958085353	/nfs/dbraw/zinc/08/53/53/958085353.db2.gz	QMPFINLZJYBGEY-NWGLXNPWSA-N	1	0	361.490	1.454	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(OCC)nc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093445219	958090824	/nfs/dbraw/zinc/09/08/24/958090824.db2.gz	BDBPKEZPROXSIA-VGUOSERISA-N	1	0	371.481	1.693	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(OC)no3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093445801	958092778	/nfs/dbraw/zinc/09/27/78/958092778.db2.gz	YYHVMTBQZWKCLZ-PHNROFDPSA-N	1	0	363.458	1.839	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc4[nH]cnc4c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093446011	958092813	/nfs/dbraw/zinc/09/28/13/958092813.db2.gz	FAZQQYSYJYNCOC-WWNBULGVSA-N	1	0	367.453	1.171	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn4c(n3)CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093447542	958100325	/nfs/dbraw/zinc/10/03/25/958100325.db2.gz	XHZVGPUIPUOSRH-ODZKNYGOSA-N	1	0	358.486	1.595	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3c[nH]cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093448049	958104710	/nfs/dbraw/zinc/10/47/10/958104710.db2.gz	CRISGLFOOUGMJC-HNBVOPMISA-N	1	0	360.502	1.885	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn4c3CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093448383	958107535	/nfs/dbraw/zinc/10/75/35/958107535.db2.gz	IJJSDAZCCVQJTK-PHXBYCTMSA-N	1	0	358.486	1.595	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccc(F)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093449089	958113558	/nfs/dbraw/zinc/11/35/58/958113558.db2.gz	FHEGAFRSLCJDKL-JYBIWHBTSA-N	1	0	359.445	1.363	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(OC)nc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093459845	958184799	/nfs/dbraw/zinc/18/47/99/958184799.db2.gz	WLQPYLFQIALUJS-HBXLWWENSA-N	1	0	359.470	1.856	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001093460060	958186456	/nfs/dbraw/zinc/18/64/56/958186456.db2.gz	OVEKNVHNURPUEX-PDOICOKGSA-N	1	0	362.518	1.350	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ncccc3OC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093463703	958196486	/nfs/dbraw/zinc/19/64/86/958196486.db2.gz	YGAQFYFAVMJCDA-DEPWHIHDSA-N	1	0	371.481	1.232	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc4cccnn43)[C@H]2C(C)C)C[C@H]1O	ZINC001093465054	958201323	/nfs/dbraw/zinc/20/13/23/958201323.db2.gz	FRVVQNQNVOSOEH-BIJSTVTOSA-N	1	0	369.469	1.495	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093464935	958201878	/nfs/dbraw/zinc/20/18/78/958201878.db2.gz	DSUZNHGPEKJRMD-XLMAVXFVSA-N	1	0	364.877	1.809	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(COC)on3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093466142	958208269	/nfs/dbraw/zinc/20/82/69/958208269.db2.gz	LSKXJUAFHJKGIO-YWTNHNAXSA-N	1	0	361.442	1.034	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cc(Cl)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093466702	958211225	/nfs/dbraw/zinc/21/12/25/958211225.db2.gz	PECUWDGUSSVWRI-LMSBXDPUSA-N	1	0	364.877	1.136	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnc(N(C)C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093467513	958214192	/nfs/dbraw/zinc/21/41/92/958214192.db2.gz	UELAMHFJLYCUTH-PLOVASNDSA-N	1	0	370.497	1.361	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccnn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093469785	958223185	/nfs/dbraw/zinc/22/31/85/958223185.db2.gz	KXZQQMUKLXNGGW-CBZIJGRNSA-N	1	0	364.877	1.809	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(CC)nn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093469964	958225516	/nfs/dbraw/zinc/22/55/16/958225516.db2.gz	NVYJQYNZTMDDBE-UIXUWTQFSA-N	1	0	358.486	1.195	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3coc(COC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093470114	958226165	/nfs/dbraw/zinc/22/61/65/958226165.db2.gz	PPBLAVMXANFTIV-HAYUQVRISA-N	1	0	361.442	1.034	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cnn(CC)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093471377	958232783	/nfs/dbraw/zinc/23/27/83/958232783.db2.gz	DNPCPCLGLDLVGV-JYBIWHBTSA-N	1	0	358.486	1.045	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@H]1C(C)C	ZINC001093471427	958233844	/nfs/dbraw/zinc/23/38/44/958233844.db2.gz	DIXYVQWEMYIIBS-CZAYHTPWSA-N	1	0	370.493	1.169	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CC=C)C3)[C@H]2C(C)C)cn1	ZINC001093471930	958237253	/nfs/dbraw/zinc/23/72/53/958237253.db2.gz	HBONDIBNAMOSKK-XCJLJZCSSA-N	1	0	353.466	1.829	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c4c(nn3C)CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093473966	958246489	/nfs/dbraw/zinc/24/64/89/958246489.db2.gz	QIHIOLIRZKTZBG-ZJSJBZJDSA-N	1	0	370.497	1.122	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)c3cnc[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093474623	958249299	/nfs/dbraw/zinc/24/92/99/958249299.db2.gz	SWFAMLZMCNFNDU-YVTWGWGSSA-N	1	0	358.486	1.287	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncoc3C3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093474870	958249603	/nfs/dbraw/zinc/24/96/03/958249603.db2.gz	XAZBTCVVNXYEDG-OHRYMORCSA-N	1	0	357.454	1.765	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3sc(C)nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093477292	958257372	/nfs/dbraw/zinc/25/73/72/958257372.db2.gz	GVOGYWAAOWBBGW-LFEHRJTNSA-N	1	0	361.511	1.973	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH]nc3C(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452588	958258456	/nfs/dbraw/zinc/25/84/56/958258456.db2.gz	LFQJZSGIJJRELJ-QQTQMKHKSA-N	1	0	358.486	1.746	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc(Cl)n3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093452709	958259342	/nfs/dbraw/zinc/25/93/42/958259342.db2.gz	MWTJEERBBIFJAK-TXPWEPMLSA-N	1	0	364.877	1.286	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(C)c3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001093453610	958263073	/nfs/dbraw/zinc/26/30/73/958263073.db2.gz	WXAUXWGBJZOQHU-PHXBYCTMSA-N	1	0	360.502	1.748	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)c2ccn3c[nH+]cc3c2)C[C@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001093454074	958265202	/nfs/dbraw/zinc/26/52/02/958265202.db2.gz	YMZFUWYQAYISLD-XSYGEPLQSA-N	1	0	367.453	1.438	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(OC)ccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093454271	958266228	/nfs/dbraw/zinc/26/62/28/958266228.db2.gz	BELKCJSREOSOGV-MLYOOKFZSA-N	1	0	357.454	1.303	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc4[nH]ncc43)[C@H]2C(C)C)C[C@H]1O	ZINC001093454709	958268688	/nfs/dbraw/zinc/26/86/88/958268688.db2.gz	HACCEDOBULPNGR-BNDYYXHWSA-N	1	0	366.465	1.776	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3ccccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093455849	958274054	/nfs/dbraw/zinc/27/40/54/958274054.db2.gz	QQGSXUQOPUOQKY-UKAVVXHISA-N	1	0	355.482	1.614	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3csnn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093455935	958275150	/nfs/dbraw/zinc/27/51/50/958275150.db2.gz	RVEOWXHAKAUTBH-MMTVNHQJSA-N	1	0	350.488	1.694	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093456007	958275164	/nfs/dbraw/zinc/27/51/64/958275164.db2.gz	TUJSTKOFHCYPEI-KGOGZUQQSA-N	1	0	368.905	1.597	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3nc(C)cc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093456433	958277661	/nfs/dbraw/zinc/27/76/61/958277661.db2.gz	CVKMPPGYOUDOOO-HNBVOPMISA-N	1	0	358.486	1.099	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C)ccc3=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001093457351	958279587	/nfs/dbraw/zinc/27/95/87/958279587.db2.gz	IYIVRCFYDJMFHH-UIXUWTQFSA-N	1	0	359.470	1.151	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3csc(=O)[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093458509	958284472	/nfs/dbraw/zinc/28/44/72/958284472.db2.gz	DNQSGRIHCGWVNF-GDLHICMESA-N	1	0	351.472	1.614	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncc(C)cc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093459219	958288217	/nfs/dbraw/zinc/28/82/17/958288217.db2.gz	RZMBVRPRASXFFO-ZJSJBZJDSA-N	1	0	355.482	1.911	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3nccs3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093478094	958292353	/nfs/dbraw/zinc/29/23/53/958292353.db2.gz	BSSBJQHBVGOWTQ-RGCFKVTRSA-N	1	0	361.511	1.675	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)n(C)c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093478542	958294982	/nfs/dbraw/zinc/29/49/82/958294982.db2.gz	RBMPNCGSUWMXLV-ANTGDGSKSA-N	1	0	357.498	1.855	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(CC)n(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093479878	958299715	/nfs/dbraw/zinc/29/97/15/958299715.db2.gz	PYGGLEVQHIQCGL-MLYOOKFZSA-N	1	0	360.502	1.748	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncnc3C(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093481396	958307055	/nfs/dbraw/zinc/30/70/55/958307055.db2.gz	WJDNYPGYMTUXCF-ZJSJBZJDSA-N	1	0	370.497	1.813	20	30		FDEDRO
C#CCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@@H]2CCO[C@H]2C=C)CC1	ZINC001093489873	958311472	/nfs/dbraw/zinc/31/14/72/958311472.db2.gz	KDIZYJWTMLEKNM-MHTWAQMVSA-N	1	0	371.525	1.740	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(OC2C[NH+](C[C@H]3CCOC3)C2)CC1	ZINC001093576219	958333432	/nfs/dbraw/zinc/33/34/32/958333432.db2.gz	UVAZVOHOBMZCDE-LZQZEXGQSA-N	1	0	364.486	1.306	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001093621220	958354427	/nfs/dbraw/zinc/35/44/27/958354427.db2.gz	GUYSJPIOXGZAKL-CZUORRHYSA-N	1	0	359.401	1.770	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3cc(Cl)c[nH]3)C[C@H]2C)C1=O	ZINC001093633329	958396117	/nfs/dbraw/zinc/39/61/17/958396117.db2.gz	POACSSCUACFKFI-UMVBOHGHSA-N	1	0	364.877	1.753	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2-c2ccccc2)[C@H](C)C1	ZINC001093677645	958530176	/nfs/dbraw/zinc/53/01/76/958530176.db2.gz	AZMAUNDDRLAWAX-RBSFLKMASA-N	1	0	353.430	1.006	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3oc(C)nc3C)C[C@H]2C)C1=O	ZINC001093690280	958548013	/nfs/dbraw/zinc/54/80/13/958548013.db2.gz	QPOOGGHDYNFVPU-WQVCFCJDSA-N	1	0	360.458	1.376	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1ncnn1C(C)(C)C	ZINC001093699723	958565797	/nfs/dbraw/zinc/56/57/97/958565797.db2.gz	IZAJYDDOFNIZSU-UKRRQHHQSA-N	1	0	369.473	1.731	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093711890	958575203	/nfs/dbraw/zinc/57/52/03/958575203.db2.gz	NIOMHTFSSJWIIZ-IIDMSEBBSA-N	1	0	354.454	1.269	20	30		FDEDRO
CC(C)c1nnc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)n1C	ZINC001093722442	958598125	/nfs/dbraw/zinc/59/81/25/958598125.db2.gz	DKJWHACMRNRRMQ-ZIAGYGMSSA-N	1	0	369.473	1.636	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3sccc3F)C[C@H]2C)C1=O	ZINC001093755896	958685977	/nfs/dbraw/zinc/68/59/77/958685977.db2.gz	KSUMBRNWADGXNO-NFAWXSAZSA-N	1	0	365.474	1.972	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3sccc3F)C[C@H]2C)C1=O	ZINC001093755897	958686306	/nfs/dbraw/zinc/68/63/06/958686306.db2.gz	KSUMBRNWADGXNO-UMVBOHGHSA-N	1	0	365.474	1.972	20	30		FDEDRO
CCn1ncc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(F)c(C#N)c3)[C@H](C)C2)n1	ZINC001093756211	958687703	/nfs/dbraw/zinc/68/77/03/958687703.db2.gz	HXXAHDLCXRMBSU-CZUORRHYSA-N	1	0	370.432	1.807	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1cc(=O)[nH]c(C2CC2)n1	ZINC001093763965	958705038	/nfs/dbraw/zinc/70/50/38/958705038.db2.gz	HDKMAAJWIFNBBS-CZUORRHYSA-N	1	0	354.454	1.657	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1nc(-c2ccncn2)no1	ZINC001093764205	958706029	/nfs/dbraw/zinc/70/60/29/958706029.db2.gz	XAXHGKXUHGDYQL-UKRRQHHQSA-N	1	0	366.425	1.124	20	30		FDEDRO
C[C@@H]1CN(C(=O)CO[C@H]2CCOC2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093768015	958716812	/nfs/dbraw/zinc/71/68/12/958716812.db2.gz	IZZLAROJLJMBKL-LZQZEXGQSA-N	1	0	357.454	1.548	20	30		FDEDRO
C[C@@H]1CN(C(=O)CO[C@@H]2CCOC2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093768484	958719991	/nfs/dbraw/zinc/71/99/91/958719991.db2.gz	WNWWXOPBZNSTBB-ATZDWAIDSA-N	1	0	357.454	1.548	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)[C@H](C)C1	ZINC001093793929	958797230	/nfs/dbraw/zinc/79/72/30/958797230.db2.gz	DVEZJNZPKWZHNF-RTXFEEFZSA-N	1	0	355.866	1.254	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3cc(C)nc(C)c3)C[C@H]2C)C1=O	ZINC001093796225	958804860	/nfs/dbraw/zinc/80/48/60/958804860.db2.gz	HLOXJIOUNUFACU-NIKGAXFTSA-N	1	0	370.497	1.783	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001093796562	958806404	/nfs/dbraw/zinc/80/64/04/958806404.db2.gz	VQDHZDDWSIXYOH-CZUORRHYSA-N	1	0	356.405	1.173	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093827701	958911718	/nfs/dbraw/zinc/91/17/18/958911718.db2.gz	WLHPXUOCERDTCW-CHWSQXEVSA-N	1	0	371.466	1.707	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CCNC(=O)C2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093858607	959017518	/nfs/dbraw/zinc/01/75/18/959017518.db2.gz	DGRBGPOTXJEOQG-FPDPHYFHSA-N	1	0	368.481	1.659	20	30		FDEDRO
CCN1CCOC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1	ZINC001093881297	959105856	/nfs/dbraw/zinc/10/58/56/959105856.db2.gz	PZGAWFJJRFHHDE-NSISKUIASA-N	1	0	370.497	1.463	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@](C)(NC(C)=O)C2CC2)C1	ZINC001197751648	972413579	/nfs/dbraw/zinc/41/35/79/972413579.db2.gz	DCIIDFIDPXOPGW-ZHALLVOQSA-N	1	0	351.491	1.199	20	30		FDEDRO
COc1cc(C(=O)N2C[C@@H](C[NH2+]Cc3cccc(C#N)c3)[C@H](C)C2)nn1C	ZINC001093907147	959295408	/nfs/dbraw/zinc/29/54/08/959295408.db2.gz	VXZZDCHTVXIRBF-RHSMWYFYSA-N	1	0	367.453	1.798	20	30		FDEDRO
COc1nn(C)cc1C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1	ZINC001093962950	959369527	/nfs/dbraw/zinc/36/95/27/959369527.db2.gz	OQTSUYACIRYNCQ-RHSMWYFYSA-N	1	0	367.453	1.798	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001093964527	959374863	/nfs/dbraw/zinc/37/48/63/959374863.db2.gz	ZUICEYHOKLEQMN-WQVCFCJDSA-N	1	0	358.417	1.018	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001094000196	959485512	/nfs/dbraw/zinc/48/55/12/959485512.db2.gz	YKTGJTLDTCZNLO-CZUORRHYSA-N	1	0	351.410	1.139	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]C[C@H]3CCCS(=O)(=O)C3)[C@H](C)C2)C1	ZINC001094026319	959547063	/nfs/dbraw/zinc/54/70/63/959547063.db2.gz	CUYQEQFDDCNBTE-BRWVUGGUSA-N	1	0	368.543	1.852	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3cnoc3CC)C[C@H]2C)C1=O	ZINC001094080785	959720639	/nfs/dbraw/zinc/72/06/39/959720639.db2.gz	HTSHERGGZVOLHR-IIAWOOMASA-N	1	0	360.458	1.322	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nc(C)no3)[C@H](C)C2)cc1	ZINC001094093044	959761905	/nfs/dbraw/zinc/76/19/05/959761905.db2.gz	ICQCVSJJQIQKIR-RHSMWYFYSA-N	1	0	368.437	1.888	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3nnc(C)s3)[C@H](C)C2)nn1	ZINC001094095144	959770387	/nfs/dbraw/zinc/77/03/87/959770387.db2.gz	GTOFHHDXSCNXDX-DGCLKSJQSA-N	1	0	361.475	1.122	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3cncs3)[C@H](C)C2)nn1	ZINC001094099572	959782918	/nfs/dbraw/zinc/78/29/18/959782918.db2.gz	GMZBCIVAPBDXKN-ZIAGYGMSSA-N	1	0	360.487	1.809	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3ccc(OC)o3)C[C@H]2C)C1=O	ZINC001094128353	959840618	/nfs/dbraw/zinc/84/06/18/959840618.db2.gz	CNOFSEMOOIUYTH-KFWWJZLASA-N	1	0	361.442	1.373	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001094106751	959891706	/nfs/dbraw/zinc/89/17/06/959891706.db2.gz	BHAWXYARXWMWHJ-MCIONIFRSA-N	1	0	360.483	1.473	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001094166035	959952201	/nfs/dbraw/zinc/95/22/01/959952201.db2.gz	KDDWAGIIIMOQGH-RHSMWYFYSA-N	1	0	369.444	1.858	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ccnc(OC)n3)[C@H](C)C2)nc1	ZINC001094172273	959970455	/nfs/dbraw/zinc/97/04/55/959970455.db2.gz	LMSXWQBJORDRNR-GDBMZVCRSA-N	1	0	365.437	1.359	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]Cc2cnnn2CC)[C@H](C)C1	ZINC001094188329	960069525	/nfs/dbraw/zinc/06/95/25/960069525.db2.gz	OVAPKBPMISJRPK-VQIMIIECSA-N	1	0	365.481	1.706	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)o2)[C@H](C)C1	ZINC001094188433	960070453	/nfs/dbraw/zinc/07/04/53/960070453.db2.gz	VMWATTAKXZOMFX-RDTXWAMCSA-N	1	0	352.438	1.786	20	30		FDEDRO
C=C[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1)c1ccccc1	ZINC001094236000	960147571	/nfs/dbraw/zinc/14/75/71/960147571.db2.gz	KKCGQJQEIRRWBL-OIISXLGYSA-N	1	0	354.458	1.364	20	30		FDEDRO
C=C(C)CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3c3ccncc3)nn2)C1	ZINC001094293446	960255523	/nfs/dbraw/zinc/25/55/23/960255523.db2.gz	OSDMRIYIBMQAGT-RBUKOAKNSA-N	1	0	366.469	1.916	20	30		FDEDRO
Cn1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC#Cc2ccccc2)CC3)nn1	ZINC001094407591	960387702	/nfs/dbraw/zinc/38/77/02/960387702.db2.gz	UVFTUYMAQVSASL-TZIWHRDSSA-N	1	0	363.465	1.841	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3cn(-c4cccnc4)nn3)CCC[C@@H]12	ZINC001094429116	960430952	/nfs/dbraw/zinc/43/09/52/960430952.db2.gz	AOCHSDVLTAZEBV-IEBWSBKVSA-N	1	0	352.442	1.823	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc(=O)[nH]c4ncn(C)c43)CCC[C@@H]12	ZINC001094432925	960442922	/nfs/dbraw/zinc/44/29/22/960442922.db2.gz	HUCCZOBXLPUVMU-FOIQADDNSA-N	1	0	367.453	1.672	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCN(C)C(=O)C3)CCC[C@@H]12	ZINC001094450746	960525370	/nfs/dbraw/zinc/52/53/70/960525370.db2.gz	IDIQBEBVVQOVLR-IIDMSEBBSA-N	1	0	353.894	1.968	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3sccc3-n3cnnn3)CCC[C@@H]12	ZINC001094457263	960549855	/nfs/dbraw/zinc/54/98/55/960549855.db2.gz	ZKLZTKNHYSEWIW-CRAIPNDOSA-N	1	0	370.482	1.722	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3c4n(c(=O)n3C)CCCC4)CCC[C@@H]12	ZINC001094512089	960696649	/nfs/dbraw/zinc/69/66/49/960696649.db2.gz	LVFBAJVWDBRUDP-DYESRHJHSA-N	1	0	370.497	1.521	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(-n4ccnc4)nn3)CCC[C@@H]12	ZINC001094535866	960757050	/nfs/dbraw/zinc/75/70/50/960757050.db2.gz	TWOIAUGHSZLHCO-VQIMIIECSA-N	1	0	350.426	1.270	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NC2CC2)CC3)cn1	ZINC001094563280	960817262	/nfs/dbraw/zinc/81/72/62/960817262.db2.gz	NLCULXUHIIOWBG-WIYYLYMNSA-N	1	0	366.465	1.316	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOC)CC2	ZINC001094563791	960825295	/nfs/dbraw/zinc/82/52/95/960825295.db2.gz	OBOCSGQSFWJPGZ-YLJYHZDGSA-N	1	0	357.454	1.714	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(-n4cnnn4)cc3)CCC[C@@H]12	ZINC001094573574	960850309	/nfs/dbraw/zinc/85/03/09/960850309.db2.gz	DUZDHBYEMCRKPZ-IEBWSBKVSA-N	1	0	350.426	1.270	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2ccnn2C)C1	ZINC001181525321	960904705	/nfs/dbraw/zinc/90/47/05/960904705.db2.gz	ITNPJKVLZZCVNY-PHXBYCTMSA-N	1	0	360.502	1.976	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)N(C)C)C1	ZINC001181525909	960906509	/nfs/dbraw/zinc/90/65/09/960906509.db2.gz	WLFJEONFYTWBQQ-OAFZBRQQSA-N	1	0	351.491	1.130	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2ncnn2C)C1	ZINC001181525738	960907136	/nfs/dbraw/zinc/90/71/36/960907136.db2.gz	TYXMJCQLSJFBJM-OAFZBRQQSA-N	1	0	361.490	1.371	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cn([C@@H]4CCOC4)nn3)CCC[C@@H]12	ZINC001094556498	960909039	/nfs/dbraw/zinc/90/90/39/960909039.db2.gz	VPQQQYMJUZWRJY-SZVBFZGTSA-N	1	0	359.474	1.790	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4nncn4C3)CCC[C@@H]12	ZINC001094584681	960948088	/nfs/dbraw/zinc/94/80/88/960948088.db2.gz	CYZFIHCBXPFIST-IIDMSEBBSA-N	1	0	363.893	1.954	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCC(C)C)C2)C1	ZINC001094737389	961129263	/nfs/dbraw/zinc/12/92/63/961129263.db2.gz	UJFGVMFBRGJBMU-JQHSSLGASA-N	1	0	363.502	1.415	20	30		FDEDRO
CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	ZINC001171515248	961212711	/nfs/dbraw/zinc/21/27/11/961212711.db2.gz	DXUJQUGXYMPDLB-MJBXVCDLSA-N	1	0	350.381	1.621	20	30		FDEDRO
N#Cc1cc(Br)ccc1-c1noc(C2=NO[C@@H]3C[NH2+]C[C@H]23)n1	ZINC001212627268	961301748	/nfs/dbraw/zinc/30/17/48/961301748.db2.gz	KCOCPDWTUDDQCX-WDEREUQCSA-N	1	0	360.171	1.693	20	30		FDEDRO
CC(C)[C@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC[N@@H+]1C	ZINC001171879929	961356803	/nfs/dbraw/zinc/35/68/03/961356803.db2.gz	WXUXBAGVIIKTLK-FUHWJXTLSA-N	1	0	354.454	1.710	20	30		FDEDRO
CCN1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1=O	ZINC001172031170	961418382	/nfs/dbraw/zinc/41/83/82/961418382.db2.gz	HBFLVYRKCCGGJY-GOSISDBHSA-N	1	0	354.454	1.763	20	30		FDEDRO
CCN1CC[C@H]([N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC1=O	ZINC001172038728	961434026	/nfs/dbraw/zinc/43/40/26/961434026.db2.gz	DGUVALVMFKNWHI-UWJYYQICSA-N	1	0	366.465	1.998	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](Cc1ccccc1)C(=O)NCC(N)=O	ZINC001172307134	961617973	/nfs/dbraw/zinc/61/79/73/961617973.db2.gz	BVYLWFVKMQOZEG-BEFAXECRSA-N	1	0	364.449	1.292	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H]2[C@@H]1CC(=O)N2CC(=O)N(C)C	ZINC001172308848	961618199	/nfs/dbraw/zinc/61/81/99/961618199.db2.gz	PDAPNFHKDJKMFU-JLSDUUJJSA-N	1	0	354.454	1.253	20	30		FDEDRO
CCCCCCC[C@@H](CC)[NH2+]CC(=O)NCC(=O)NCC(=O)OCC	ZINC001172351866	961642559	/nfs/dbraw/zinc/64/25/59/961642559.db2.gz	XFLRZWJMBBRYPL-OAHLLOKOSA-N	1	0	357.495	1.511	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCN2CCSCC2)C[C@H]1C#N	ZINC001172966431	961852169	/nfs/dbraw/zinc/85/21/69/961852169.db2.gz	AKVAEJRFBCIMFU-CABCVRRESA-N	1	0	354.520	1.916	20	30		FDEDRO
COC(=O)CO[C@H]1CC[N@@H+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1	ZINC001172994702	961902262	/nfs/dbraw/zinc/90/22/62/961902262.db2.gz	YLNAYOZFVQZPOU-KKUMJFAQSA-N	1	0	367.446	1.542	20	30		FDEDRO
CNC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1	ZINC001172994383	961902372	/nfs/dbraw/zinc/90/23/72/961902372.db2.gz	UEPYWHKYCSITKI-ZNMIVQPWSA-N	1	0	365.478	1.671	20	30		FDEDRO
O=C(NCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1N=CC=CC1=O	ZINC000774245485	961908446	/nfs/dbraw/zinc/90/84/46/961908446.db2.gz	UVMSUONKWUCQMV-OCWZUINPSA-N	1	0	374.401	1.391	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1	ZINC000637254261	1013303744	/nfs/dbraw/zinc/30/37/44/1013303744.db2.gz	NBSIUNZSZIPCEP-GOSISDBHSA-N	1	0	359.470	1.347	20	30		FDEDRO
C=CCOC1CCC([N@@H+]2C[C@@H](NC(=O)c3cccn3C)[C@H]3COC[C@H]32)CC1	ZINC001173319893	962020020	/nfs/dbraw/zinc/02/00/20/962020020.db2.gz	ACIRISYUONYUIW-KHDSSVQASA-N	1	0	373.497	1.968	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+]CCCN3CCOCC3)CC2)cc1	ZINC001173421286	962115566	/nfs/dbraw/zinc/11/55/66/962115566.db2.gz	SHQSCSSAOKUOCB-UHFFFAOYSA-N	1	0	356.470	1.475	20	30		FDEDRO
COC(=O)[C@H]1[C@@H]2C[N@H+](C3CCN(C(=O)c4ccc(C#N)cc4)CC3)C[C@@H]21	ZINC001173432538	962152736	/nfs/dbraw/zinc/15/27/36/962152736.db2.gz	DARQJZHXANPJJE-PIIMJCKOSA-N	1	0	353.422	1.514	20	30		FDEDRO
C[NH+](C)C[C@@H]1COCCN1C1CCN(C(=O)c2ccc(C#N)cc2)CC1	ZINC001173435222	962159400	/nfs/dbraw/zinc/15/94/00/962159400.db2.gz	ZRJLMKXPNDTSDT-LJQANCHMSA-N	1	0	356.470	1.425	20	30		FDEDRO
CC(=NNCC(C)(C)S(C)(=O)=O)c1ccc(OCC[NH+](C)C)cc1	ZINC000774483076	962234587	/nfs/dbraw/zinc/23/45/87/962234587.db2.gz	MBHQHPRDGMSWKO-UHFFFAOYSA-N	1	0	355.504	1.764	20	30		FDEDRO
C#CC(C)(C)C(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1	ZINC001182635757	962350329	/nfs/dbraw/zinc/35/03/29/962350329.db2.gz	IRWHTLZLMSEJHY-INIZCTEOSA-N	1	0	359.474	1.013	20	30		FDEDRO
Cn1cc(C(=O)N[C@H]2C[N@@H+](C3CCC(C)(C#N)CC3)[C@@H]3CCCO[C@@H]32)cn1	ZINC001173595938	962472444	/nfs/dbraw/zinc/47/24/44/962472444.db2.gz	CLTXVDVIPHQFLT-KZIZELGASA-N	1	0	371.485	1.854	20	30		FDEDRO
CC1(C#N)CCC([N@@H+]2CCO[C@]3(C2)COCCN(c2ncccn2)C3)CC1	ZINC001173596282	962473497	/nfs/dbraw/zinc/47/34/97/962473497.db2.gz	QJVHLUPWTIDGBC-UUKMXZOPSA-N	1	0	371.485	1.857	20	30		FDEDRO
C=CCOCc1ncn2c1C[N@@H+]([C@@H]1CCC[C@@H](n3ncnn3)C1)CCC2	ZINC001173752754	962626823	/nfs/dbraw/zinc/62/68/23/962626823.db2.gz	ZPQZOPLBYYNQPD-HZPDHXFCSA-N	1	0	357.462	1.962	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(C(=O)COc3ccc(C#N)cc3)CC[C@@H]2C1	ZINC001182914118	962657872	/nfs/dbraw/zinc/65/78/72/962657872.db2.gz	ZWYYPMYMKJGYFM-IEBWSBKVSA-N	1	0	373.453	1.133	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)NCC1CCN(C(=O)c2cccnc2)CC1	ZINC001183086107	962783438	/nfs/dbraw/zinc/78/34/38/962783438.db2.gz	QSBGAZLHDOJGEV-UHFFFAOYSA-N	1	0	356.470	1.702	20	30		FDEDRO
C[NH+]1CCN(c2ccc(Nc3ccc(S(N)(=O)=O)cc3)cc2C#N)CC1	ZINC001174238130	962789146	/nfs/dbraw/zinc/78/91/46/962789146.db2.gz	NDVWVSUOEFGLHQ-UHFFFAOYSA-N	1	0	371.466	1.701	20	30		FDEDRO
CC[N@H+](CCCC(=O)N[C@H](C#N)C(N)=O)[C@H](C)Cc1ccc(OC)cc1	ZINC001183149728	962834335	/nfs/dbraw/zinc/83/43/35/962834335.db2.gz	HAESGJZMBNDXFC-RHSMWYFYSA-N	1	0	360.458	1.222	20	30		FDEDRO
N#CCOc1ccc(CC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1	ZINC000773407418	962957519	/nfs/dbraw/zinc/95/75/19/962957519.db2.gz	GOSRHFXVJYJFQW-GOSISDBHSA-N	1	0	357.454	1.845	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCNC(=O)C1CC1	ZINC001175366477	963171552	/nfs/dbraw/zinc/17/15/52/963171552.db2.gz	UNEPREJQNLSIOL-UAGQMJEPSA-N	1	0	351.491	1.368	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1	ZINC001175380391	963180192	/nfs/dbraw/zinc/18/01/92/963180192.db2.gz	NYJXMXJEUBDPSZ-HYVNUMGLSA-N	1	0	361.490	1.090	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=O)NC1CC1	ZINC001175630700	963242580	/nfs/dbraw/zinc/24/25/80/963242580.db2.gz	UHJFGJYVWKJKBH-AYBZRNKSSA-N	1	0	365.518	1.901	20	30		FDEDRO
C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC001175664079	963259457	/nfs/dbraw/zinc/25/94/57/963259457.db2.gz	PJPOLAAUCDMVPV-HHXXYDBFSA-N	1	0	356.470	1.499	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCO[C@H]1C(=C)C	ZINC001175663281	963259927	/nfs/dbraw/zinc/25/99/27/963259927.db2.gz	CJALGQXZDBMCRX-BQFCYCMXSA-N	1	0	351.491	1.534	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1C[C@H](CCO)[C@H](CO)C1	ZINC001176959250	963619063	/nfs/dbraw/zinc/61/90/63/963619063.db2.gz	KYEKBRGCWQVDAW-PMPSAXMXSA-N	1	0	363.433	1.384	20	30		FDEDRO
CCCCCCCCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000774774340	963693190	/nfs/dbraw/zinc/69/31/90/963693190.db2.gz	YJJMKCMKLNEIBP-KRWDZBQOSA-N	1	0	366.550	1.748	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)cc1C#N	ZINC000774791991	963735320	/nfs/dbraw/zinc/73/53/20/963735320.db2.gz	XAMFRMAHUTWBAJ-UHFFFAOYSA-N	1	0	360.458	1.418	20	30		FDEDRO
CO/N=C(\C(=O)N(c1nc(C)cc(OC)n1)C1CC[NH2+]CC1)c1ccco1	ZINC001177352332	963796443	/nfs/dbraw/zinc/79/64/43/963796443.db2.gz	RCGDXLZFVKYQNR-JWGURIENSA-N	1	0	373.413	1.522	20	30		FDEDRO
N#Cc1cc(CC(=O)N2c3ccccc3C(=O)NC23CC[NH2+]CC3)ccn1	ZINC001177668166	963921433	/nfs/dbraw/zinc/92/14/33/963921433.db2.gz	KPAVGSIWQSJVKC-UHFFFAOYSA-N	1	0	361.405	1.352	20	30		FDEDRO
CCOC(=O)C1CC[NH+](C2CCN(C(=O)C#Cc3ccccn3)CC2)CC1	ZINC001177801271	963975005	/nfs/dbraw/zinc/97/50/05/963975005.db2.gz	WUZNKWQRNYWKIM-UHFFFAOYSA-N	1	0	369.465	1.699	20	30		FDEDRO
CS(=O)(=O)N(C(=O)[C@@H](C#N)Cc1cccs1)c1ccc(C[NH3+])cc1	ZINC001177916814	964020916	/nfs/dbraw/zinc/02/09/16/964020916.db2.gz	KPPYBNLSRUYOEF-CYBMUJFWSA-N	1	0	363.464	1.882	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CCC(C)C)NC(C)=O)C2	ZINC001110214390	964027460	/nfs/dbraw/zinc/02/74/60/964027460.db2.gz	GUYMZOBNYAIWGZ-XWSJACJDSA-N	1	0	365.518	1.851	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2ccccc2CC)C1	ZINC001185759369	964090180	/nfs/dbraw/zinc/09/01/80/964090180.db2.gz	UMZPRHXFYWMSML-LMMKCTJWSA-N	1	0	371.481	1.969	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2ccc(CC)cc2)C1	ZINC001185758417	964090350	/nfs/dbraw/zinc/09/03/50/964090350.db2.gz	CISLZBJUDFOGQI-QRVBRYPASA-N	1	0	371.481	1.969	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CCCO[C@H]1C=C	ZINC001178505760	964259193	/nfs/dbraw/zinc/25/91/93/964259193.db2.gz	DQVHKKYVHOFOJW-KURKYZTESA-N	1	0	363.502	1.372	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCCCCCC[NH2+]CC(=O)N1CCCC1	ZINC001178505967	964259844	/nfs/dbraw/zinc/25/98/44/964259844.db2.gz	KLZJBGYLLQTCPL-MSOLQXFVSA-N	1	0	365.518	1.856	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cc2ccnn2C)C1	ZINC001186190271	964341467	/nfs/dbraw/zinc/34/14/67/964341467.db2.gz	ZWPNZTXOBUNLJK-YLJYHZDGSA-N	1	0	368.456	1.957	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N=C(N)c1ccc(C(N)=O)cc1	ZINC001178732380	964399158	/nfs/dbraw/zinc/39/91/58/964399158.db2.gz	SUDHTNMUFBDPPD-RDTXWAMCSA-N	1	0	364.449	1.786	20	30		FDEDRO
C=C1CCC(C(=O)NC[C@H]2COCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC000964332816	1013497233	/nfs/dbraw/zinc/49/72/33/1013497233.db2.gz	XBGGLLVNRULNMG-BPQIPLTHSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC#CC)C2(C1)CCOCC2	ZINC001186373772	964481912	/nfs/dbraw/zinc/48/19/12/964481912.db2.gz	NIZYILIBCPODNU-QRVBRYPASA-N	1	0	360.498	1.836	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@]23C[C@H]2CCC3)CC12CCOCC2	ZINC001186424955	964504014	/nfs/dbraw/zinc/50/40/14/964504014.db2.gz	NMAVKFDKWGBZAY-DBXWQHBBSA-N	1	0	360.498	1.671	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@]12CCC[C@H]1OCC2	ZINC001179004512	964617132	/nfs/dbraw/zinc/61/71/32/964617132.db2.gz	VHDQEYUCIYXPJN-QKLQHJQFSA-N	1	0	365.518	1.903	20	30		FDEDRO
CC(=O)N1CCC([NH+]2CCC(C(=O)Nc3oc(C)nc3C#N)CC2)CC1	ZINC001179010761	964626863	/nfs/dbraw/zinc/62/68/63/964626863.db2.gz	NFBDKMTVZBRLHN-UHFFFAOYSA-N	1	0	359.430	1.516	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CCO[C@H]1C1CC1	ZINC001179090149	964713477	/nfs/dbraw/zinc/71/34/77/964713477.db2.gz	VKTWXRPRPLEWJO-JQHSSLGASA-N	1	0	365.518	1.758	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H]1CCCO1	ZINC000773803986	964757964	/nfs/dbraw/zinc/75/79/64/964757964.db2.gz	JDOJGSDXMNLKLH-RTBURBONSA-N	1	0	369.465	1.560	20	30		FDEDRO
N#CCSCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)c3ccc(F)cc3)C[C@H]21	ZINC001186939756	964854709	/nfs/dbraw/zinc/85/47/09/964854709.db2.gz	IQTCCECYYOVWJV-UAGQMJEPSA-N	1	0	363.458	1.649	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2cn(CC3CC3)nn2)C1	ZINC000962321782	1013530522	/nfs/dbraw/zinc/53/05/22/1013530522.db2.gz	MYPPTPUCBVSWJO-UQVLAFNGSA-N	1	0	359.474	1.264	20	30		FDEDRO
N#C[C@H]1C[C@H]1C(=O)N([C@H]1CCC12CC[NH2+]CC2)S(=O)(=O)c1ccccc1	ZINC001186976106	964919542	/nfs/dbraw/zinc/91/95/42/964919542.db2.gz	UDAFUYWAGJGFLF-OIISXLGYSA-N	1	0	373.478	1.896	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CCCCCCNC(=O)[C@H]2OCC[C@H]2C)C1=O	ZINC001179620393	964937918	/nfs/dbraw/zinc/93/79/18/964937918.db2.gz	MYHUGDACHAEFQZ-ZACQAIPSSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCCCC[NH2+][C@H]1CCN(C)C1=O	ZINC001179797081	964991959	/nfs/dbraw/zinc/99/19/59/964991959.db2.gz	KTSHVTJZFJDADD-ULQDDVLXSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCCCC[NH2+][C@H](C)c1nnnn1C	ZINC001179797127	964993296	/nfs/dbraw/zinc/99/32/96/964993296.db2.gz	NKONPIACUZBHLZ-PMPSAXMXSA-N	1	0	364.494	1.519	20	30		FDEDRO
C=CCCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(c4ccn(C)n4)C3=O)C[C@H]21	ZINC001187240074	965114188	/nfs/dbraw/zinc/11/41/88/965114188.db2.gz	LROFUNAAPSDYCM-HRCADAONSA-N	1	0	357.458	1.024	20	30		FDEDRO
C=CCCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(CC(F)(F)F)C3=O)C[C@H]21	ZINC001187239586	965115176	/nfs/dbraw/zinc/11/51/76/965115176.db2.gz	GAATUHQSYAVRIS-MELADBBJSA-N	1	0	359.392	1.649	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@H+](C[C@H]3COc4ccccc4O3)C[C@H]21	ZINC001187320667	965243900	/nfs/dbraw/zinc/24/39/00/965243900.db2.gz	ZRGGYPABTVOCBS-YESZJQIVSA-N	1	0	358.438	1.562	20	30		FDEDRO
N#Cc1ccc(OCC(=O)N2CCC(O)(C[NH+]3CCCCC3)CC2)cc1	ZINC001180503361	965368892	/nfs/dbraw/zinc/36/88/92/965368892.db2.gz	JFIPJKADGNWVLH-UHFFFAOYSA-N	1	0	357.454	1.776	20	30		FDEDRO
C=CCSCC(=O)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1	ZINC001180558965	965399372	/nfs/dbraw/zinc/39/93/72/965399372.db2.gz	BHDVUGKQHJIWDR-DYVFJYSZSA-N	1	0	351.447	1.994	20	30		FDEDRO
C[C@@H](C(=O)NC1CCN(C(=O)c2ccccc2C#N)CC1)[NH+]1CCCC1	ZINC001180586405	965427077	/nfs/dbraw/zinc/42/70/77/965427077.db2.gz	RRIUDPHMEVPOSP-HNNXBMFYSA-N	1	0	354.454	1.763	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(CC)cc3)C[C@H]21	ZINC001187591816	965511588	/nfs/dbraw/zinc/51/15/88/965511588.db2.gz	UXLRGCGJHBNONE-RBUKOAKNSA-N	1	0	353.466	1.421	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)c3cccc(F)c3)C[C@H]21	ZINC001187598153	965516839	/nfs/dbraw/zinc/51/68/39/965516839.db2.gz	GDIULGCFOSGUGK-UWWQBHOKSA-N	1	0	357.429	1.559	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(COC)cc3)C[C@H]21	ZINC001187605751	965555527	/nfs/dbraw/zinc/55/55/27/965555527.db2.gz	SAFOBUVGFRXJSB-RBUKOAKNSA-N	1	0	369.465	1.005	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@](C)(O)C=C)[C@@H]2C1	ZINC001187698658	965644179	/nfs/dbraw/zinc/64/41/79/965644179.db2.gz	MPTJNORNGAFJRY-SQGPQFPESA-N	1	0	361.486	1.047	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21	ZINC001187756089	965721525	/nfs/dbraw/zinc/72/15/25/965721525.db2.gz	WHUVRCOLWRRFMF-FBBABVLZSA-N	1	0	369.465	1.949	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CC[C@H]2CN(Cc3cnn(C(C)(C)C)c3)C[C@H]21	ZINC001187763952	965729917	/nfs/dbraw/zinc/72/99/17/965729917.db2.gz	WRLWBURILIBAKI-QKLQHJQFSA-N	1	0	360.502	1.998	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](C[C@@H](O)CCc3ccccc3)C[C@H]21	ZINC001187820972	965764756	/nfs/dbraw/zinc/76/47/56/965764756.db2.gz	UGXYPYXSDZKDTH-PCCBWWKXSA-N	1	0	352.478	1.926	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2CN([C@@H](C)c3nc(C4CC4)no3)C[C@H]21	ZINC001187857101	965795391	/nfs/dbraw/zinc/79/53/91/965795391.db2.gz	IPQBWFSTWAPYOJ-CWRNSKLLSA-N	1	0	358.442	1.581	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C(=O)NC)cc3)C[C@H]21	ZINC001187864597	965807688	/nfs/dbraw/zinc/80/76/88/965807688.db2.gz	DKCAHNWQPDNODK-RBUKOAKNSA-N	1	0	369.465	1.119	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cccc4nsnc43)C[C@H]21	ZINC001187882823	965885947	/nfs/dbraw/zinc/88/59/47/965885947.db2.gz	WTEIIKTWJBXCNA-JKIFEVAISA-N	1	0	370.478	1.762	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(OC)cc3C)[C@@H]2C1	ZINC001188018940	965976879	/nfs/dbraw/zinc/97/68/79/965976879.db2.gz	XHXUBPOKKXTIKW-AZUAARDMSA-N	1	0	356.466	1.729	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3nc(C)cc3C(F)F)[C@@H]2C1	ZINC001188025869	965978580	/nfs/dbraw/zinc/97/85/80/965978580.db2.gz	DSPJHJAOCZRRLG-GOEBONIOSA-N	1	0	366.412	1.312	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCN(C)c4ccccc43)[C@@H]2C1	ZINC001188231641	966142875	/nfs/dbraw/zinc/14/28/75/966142875.db2.gz	WVWOOXFWQBDGDL-FBBABVLZSA-N	1	0	367.493	1.793	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cnc(C(F)(F)F)nc3)[C@@H]2C1	ZINC001188286605	966191051	/nfs/dbraw/zinc/19/10/51/966191051.db2.gz	YOSALDBHQKHPIZ-GXTWGEPZSA-N	1	0	370.375	1.844	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(c3)N(C)CCO4)[C@@H]2C1	ZINC001188329806	966208567	/nfs/dbraw/zinc/20/85/67/966208567.db2.gz	SHLQCLVJHYWQIF-PKOBYXMFSA-N	1	0	369.465	1.311	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3nnc(-c4ccco4)n3)[C@@H]2C1	ZINC001188413707	966310173	/nfs/dbraw/zinc/31/01/73/966310173.db2.gz	URSNXSZSHQMYFF-HRCADAONSA-N	1	0	370.457	1.821	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)CCCCNC(N)=O)[C@@H]3C2)c1	ZINC001188484833	966313111	/nfs/dbraw/zinc/31/31/11/966313111.db2.gz	ARCAOFUMNFNRGB-ZWKOTPCHSA-N	1	0	369.469	1.430	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)[C@@H]2C1	ZINC001188486391	966316259	/nfs/dbraw/zinc/31/62/59/966316259.db2.gz	XNTXGAPQQMBOTL-YESZJQIVSA-N	1	0	356.532	1.924	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4ccc(OC)cc4[nH]3)[C@@H]2C1	ZINC001188739882	966550150	/nfs/dbraw/zinc/55/01/50/966550150.db2.gz	XOQMYTJIMIIGRG-OXJNMPFZSA-N	1	0	367.449	1.973	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](CCCC)C(N)=O)C[C@H]32)cc1	ZINC001188743684	966551576	/nfs/dbraw/zinc/55/15/76/966551576.db2.gz	BLPNQGIRLIRNNA-GBESFXJTSA-N	1	0	353.466	1.858	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCCOc1ccccc1	ZINC001110401835	966556563	/nfs/dbraw/zinc/55/65/63/966556563.db2.gz	PIMGPNXVQBJQRX-IDCNUPLLSA-N	1	0	370.453	1.063	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3ccccc3=O)[C@@H]2C1	ZINC001188785634	966579259	/nfs/dbraw/zinc/57/92/59/966579259.db2.gz	HHYBLAXNFYKZGN-ZWKOTPCHSA-N	1	0	359.470	1.364	20	30		FDEDRO
COCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OCC#N)cc1	ZINC001110403732	966622636	/nfs/dbraw/zinc/62/26/36/966622636.db2.gz	YIJYMEFAZQNZQN-QRQLOZEOSA-N	1	0	373.453	1.473	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]21	ZINC001188886284	966638224	/nfs/dbraw/zinc/63/82/24/966638224.db2.gz	WCBQQRWPGBMUDC-IXDOHACOSA-N	1	0	371.547	1.403	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+]([C@H](CCCC)C(N)=O)C[C@H]32)c1	ZINC001189076576	966751757	/nfs/dbraw/zinc/75/17/57/966751757.db2.gz	DGUDSPWJJVLQCE-CGTJXYLNSA-N	1	0	354.454	1.253	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3C[N@H+](CCCO[C@@H]4CCOC4)C[C@H]32)c1	ZINC001189077186	966753232	/nfs/dbraw/zinc/75/32/32/966753232.db2.gz	LNLGSMFVXFWRJX-DFQSSKMNSA-N	1	0	369.465	1.405	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1	ZINC001189152013	966798277	/nfs/dbraw/zinc/79/82/77/966798277.db2.gz	XRNOORZXLIXHGL-OKZBNKHCSA-N	1	0	362.518	1.060	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(CC)cn3)[C@@H]2C1	ZINC001189181728	966806862	/nfs/dbraw/zinc/80/68/62/966806862.db2.gz	GLVYPOSFZOPQEB-VDZJLULYSA-N	1	0	370.497	1.410	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)NS(C)(=O)=O)[C@@H]2C1	ZINC001189246536	966853118	/nfs/dbraw/zinc/85/31/18/966853118.db2.gz	RKGXAFIALVVSPA-HRCADAONSA-N	1	0	357.520	1.203	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](C[C@H](OCC)C4CC4)C[C@H]32)nn1	ZINC001189351011	966939220	/nfs/dbraw/zinc/93/92/20/966939220.db2.gz	UCIUZSBKQXKZNH-JQHSSLGASA-N	1	0	359.474	1.426	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccc(N2CCOCC2)cc1	ZINC000775256238	966984127	/nfs/dbraw/zinc/98/41/27/966984127.db2.gz	XKTNZSKHTTXYEN-FOIQADDNSA-N	1	0	356.470	1.982	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc4nsnc43)[C@@H]2C1	ZINC001189598272	967069413	/nfs/dbraw/zinc/06/94/13/967069413.db2.gz	RQLBFKNMUFAGOT-XJKSGUPXSA-N	1	0	356.451	1.487	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4ccn(C)c4c3)[C@@H]2C1	ZINC001189640518	967101273	/nfs/dbraw/zinc/10/12/73/967101273.db2.gz	PKKVVQSIRDMJHI-AZUAARDMSA-N	1	0	351.450	1.974	20	30		FDEDRO
N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CC[C@@H](Cn2ccnn2)C1	ZINC000852314620	967212613	/nfs/dbraw/zinc/21/26/13/967212613.db2.gz	IXZUESBTBROUPO-GDBMZVCRSA-N	1	0	373.420	1.837	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C	ZINC000964548102	1013712515	/nfs/dbraw/zinc/71/25/15/1013712515.db2.gz	WGYMJVHKXXEDKJ-TVFCKZIOSA-N	1	0	363.502	1.559	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CCOC[C@@H]4CCCO4)C[C@H]32)cn1	ZINC001189851359	967352005	/nfs/dbraw/zinc/35/20/05/967352005.db2.gz	IDXHGISSMKOZLE-YSIASYRMSA-N	1	0	369.465	1.405	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)c3cccc(Cl)c3)[C@@H]2C1	ZINC001189913687	967373815	/nfs/dbraw/zinc/37/38/15/967373815.db2.gz	VUWRTTXAJFAONK-UKPHBRMFSA-N	1	0	359.857	1.624	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H]2CCCOC2)CCOCC1	ZINC001110651093	967383551	/nfs/dbraw/zinc/38/35/51/967383551.db2.gz	NDPNRGKWUNABTI-MANSERQUSA-N	1	0	360.498	1.955	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(NC(C)=O)cc3)[C@@H]2C1	ZINC001189923713	967387873	/nfs/dbraw/zinc/38/78/73/967387873.db2.gz	WZYGNYFADMHNDW-PKOBYXMFSA-N	1	0	357.454	1.994	20	30		FDEDRO
N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ccsc3C(F)F)[C@@H]2C1	ZINC001189969508	967423401	/nfs/dbraw/zinc/42/34/01/967423401.db2.gz	ISDUPVMPKBNCNE-CMPLNLGQSA-N	1	0	368.409	1.472	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)[C@@H]2C1	ZINC001190072520	967546501	/nfs/dbraw/zinc/54/65/01/967546501.db2.gz	QOTJDYBVPYPXAK-JKSUJKDBSA-N	1	0	364.490	1.384	20	30		FDEDRO
COc1cc(C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)ccc1C#N	ZINC000852772458	967596428	/nfs/dbraw/zinc/59/64/28/967596428.db2.gz	KNWALTANUGLUME-WMLDXEAASA-N	1	0	370.453	1.287	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOC[C@H]2CCCO2)c1	ZINC001110423629	967596852	/nfs/dbraw/zinc/59/68/52/967596852.db2.gz	UAYDOVUNHIOQCU-KONPQCLYSA-N	1	0	358.442	1.417	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCCN(C(=O)c2cccc(F)c2)CC1	ZINC000852810150	967623197	/nfs/dbraw/zinc/62/31/97/967623197.db2.gz	RSXXGPCJCITYBG-UHFFFAOYSA-N	1	0	357.429	1.503	20	30		FDEDRO
CN(C(=O)C#CC1CC[NH2+]CC1)[C@@H]1CCN(c2ccccc2Cl)C1=O	ZINC000852839072	967648343	/nfs/dbraw/zinc/64/83/43/967648343.db2.gz	WIRSNWLRPCWRSF-QGZVFWFLSA-N	1	0	359.857	1.907	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCN(C(=O)Nc2ccc(F)cc2)CC1	ZINC000852883354	967687099	/nfs/dbraw/zinc/68/70/99/967687099.db2.gz	JEQLXMPPCUOTCX-UHFFFAOYSA-N	1	0	358.417	1.505	20	30		FDEDRO
Cc1cc(C)c(N2CC[C@H](NC(=O)C#CC3CC[NH2+]CC3)C2=O)c(C)c1	ZINC000852888854	967691402	/nfs/dbraw/zinc/69/14/02/967691402.db2.gz	KSKZBTOWMYYSGF-SFHVURJKSA-N	1	0	353.466	1.836	20	30		FDEDRO
C=CC[C@@]1(C(=O)Nc2ccc(OCCS(C)(=O)=O)cc2)CCC[NH2+]1	ZINC000852902482	967696311	/nfs/dbraw/zinc/69/63/11/967696311.db2.gz	NDCZFNSXZOXPSY-KRWDZBQOSA-N	1	0	352.456	1.747	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3Cc4cccc(F)c4O3)[C@@H]2C1	ZINC001190263125	967701478	/nfs/dbraw/zinc/70/14/78/967701478.db2.gz	KRSOWBAFECMACU-CGTJXYLNSA-N	1	0	360.429	1.865	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CN(C(C)=O)c3ccccc3)[C@@H]2C1	ZINC001190290604	967740860	/nfs/dbraw/zinc/74/08/60/967740860.db2.gz	NLKURKBLQRXMQJ-AZUAARDMSA-N	1	0	371.481	1.775	20	30		FDEDRO
N#Cc1ccc([C@@H](NCc2ccc(N3CCCNC3=O)cc2)C(N)=O)cc1	ZINC000853081213	967816062	/nfs/dbraw/zinc/81/60/62/967816062.db2.gz	JTFLZCNSHKHRTF-GOSISDBHSA-N	1	0	363.421	1.794	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccnc(N(C)C)c3)C[C@H]21	ZINC001190440075	967849728	/nfs/dbraw/zinc/84/97/28/967849728.db2.gz	GGGLOQIJGKLVQP-BPQIPLTHSA-N	1	0	358.486	1.771	20	30		FDEDRO
COC(=O)[C@@]1(NC(=O)c2ccc(C#N)cn2)CC[N@H+](Cc2ccccc2)C1	ZINC001190597110	967974016	/nfs/dbraw/zinc/97/40/16/967974016.db2.gz	GGLNSBCZZATUDP-HXUWFJFHSA-N	1	0	364.405	1.501	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N[C@H](C)CC	ZINC001110666267	968007213	/nfs/dbraw/zinc/00/72/13/968007213.db2.gz	FNHVMWAWZSYZSC-VQHPVUNQSA-N	1	0	358.486	1.924	20	30		FDEDRO
N#Cc1cccnc1NCCNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1	ZINC000853482160	968044242	/nfs/dbraw/zinc/04/42/42/968044242.db2.gz	RCCWTKSJHCYYQS-QGZVFWFLSA-N	1	0	372.473	1.261	20	30		FDEDRO
C=CCC1(S(=O)(=O)N2CCCC23CCN(CC(=O)N(C)C)CC3)CC1	ZINC001190787643	968091872	/nfs/dbraw/zinc/09/18/72/968091872.db2.gz	LZXYGXAOPDQTEA-UHFFFAOYSA-N	1	0	369.531	1.444	20	30		FDEDRO
C=CCSCCNC(=O)N1CCN(C)C[C@H]1CNC(=O)OC(C)(C)C	ZINC000775422019	968174406	/nfs/dbraw/zinc/17/44/06/968174406.db2.gz	JZTKAPJNASZKLP-CQSZACIVSA-N	1	0	372.535	1.756	20	30		FDEDRO
C[NH+](C)CCCN1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1	ZINC001190960132	968199439	/nfs/dbraw/zinc/19/94/39/968199439.db2.gz	ZTQWZQQWKHJYMM-UHFFFAOYSA-N	1	0	370.906	1.470	20	30		FDEDRO
C#CCCN(CCOC)CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O	ZINC000853620701	968200652	/nfs/dbraw/zinc/20/06/52/968200652.db2.gz	AOZJQWSIYYPKIL-KDURUIRLSA-N	1	0	369.465	1.033	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)/C=C(\C)C2CC2)C1	ZINC001191402062	968471581	/nfs/dbraw/zinc/47/15/81/968471581.db2.gz	YYPJOMGFCQMPFB-URVRHQKASA-N	1	0	363.502	1.317	20	30		FDEDRO
C#CC[C@@H](Cc1ccccc1)NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C	ZINC000854057694	968563601	/nfs/dbraw/zinc/56/36/01/968563601.db2.gz	RCDJMUVNYFTLLF-SFHVURJKSA-N	1	0	358.486	1.282	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[N@@H+](CCn2cc(-c3ccccc3)cn2)C[C@H]1O	ZINC001191724506	968714393	/nfs/dbraw/zinc/71/43/93/968714393.db2.gz	IODLEEPGLBWPES-RTBURBONSA-N	1	0	354.454	1.678	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](CCCc2cccc(C(F)(F)F)c2)C[C@H]1O	ZINC001191863092	968792683	/nfs/dbraw/zinc/79/26/83/968792683.db2.gz	CGKJVHWCAPSXQZ-DAXOMENPSA-N	1	0	369.387	1.959	20	30		FDEDRO
O=C(C#Cc1ccc(C(F)(F)F)cc1)NC[C@@H]1C[N@@H+]2CCN1CCC2	ZINC000854353336	968805431	/nfs/dbraw/zinc/80/54/31/968805431.db2.gz	WSYHWDCLIYYUTB-MRXNPFEDSA-N	1	0	351.372	1.563	20	30		FDEDRO
C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1	ZINC001192333178	969069753	/nfs/dbraw/zinc/06/97/53/969069753.db2.gz	RJGFHAXIOOIZPZ-KSZLIROESA-N	1	0	363.502	1.655	20	30		FDEDRO
CC(C)(C)NC(=O)NCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C#N)[nH]1)C2	ZINC001110449778	969278246	/nfs/dbraw/zinc/27/82/46/969278246.db2.gz	BXVGPCTTXKDFNL-BMFZPTHFSA-N	1	0	372.473	1.319	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccc3ccccc32)C[C@H]1O	ZINC001192891833	969351150	/nfs/dbraw/zinc/35/11/50/969351150.db2.gz	QSKLGGJAYUQNSA-CWFSZBLJSA-N	1	0	352.434	1.539	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCCC(C)C)C[C@H]1O	ZINC001193066785	969446065	/nfs/dbraw/zinc/44/60/65/969446065.db2.gz	HYICBRNCVGHRGA-TVFCKZIOSA-N	1	0	354.491	1.192	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C(=O)CC)C1	ZINC001193148343	969514316	/nfs/dbraw/zinc/51/43/16/969514316.db2.gz	ROHDEYCKBJZMJS-FGTMMUONSA-N	1	0	367.534	1.909	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O	ZINC001193304262	969627205	/nfs/dbraw/zinc/62/72/05/969627205.db2.gz	TZXFSAYPVNCSQT-CHWSQXEVSA-N	1	0	352.397	1.719	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1O	ZINC001193313017	969654173	/nfs/dbraw/zinc/65/41/73/969654173.db2.gz	WRRXEQLQFMJFMB-BZUAXINKSA-N	1	0	352.862	1.660	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1O	ZINC001193400315	969681860	/nfs/dbraw/zinc/68/18/60/969681860.db2.gz	MEJODUBMSJSDSG-RTBURBONSA-N	1	0	354.454	1.890	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3ccn(C)c3)n[nH]2)C1	ZINC001193628980	969775712	/nfs/dbraw/zinc/77/57/12/969775712.db2.gz	HXPFULNKNGYAFE-FSPWUOQZSA-N	1	0	357.458	1.545	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cccnc3)c2)C1	ZINC001193737859	969822878	/nfs/dbraw/zinc/82/28/78/969822878.db2.gz	IKXNVXWFLSNLFU-ZTFGCOKTSA-N	1	0	355.442	1.397	20	30		FDEDRO
CC(C)(C(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OCC#N)cc1	ZINC001110691205	969979946	/nfs/dbraw/zinc/97/99/46/969979946.db2.gz	HXBJUIVDVPPWIS-OIISXLGYSA-N	1	0	370.453	1.322	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3ccnc3)n2)C1	ZINC001194309166	970096699	/nfs/dbraw/zinc/09/66/99/970096699.db2.gz	RNRMGDRHTPDRLB-USXIJHARSA-N	1	0	355.442	1.397	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3cc(C)sc3n2)C1	ZINC001194408590	970161641	/nfs/dbraw/zinc/16/16/41/970161641.db2.gz	LOUDFJVVJRMMKH-APHBMKBZSA-N	1	0	362.499	1.763	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(-c3cccnc3)n2)C1	ZINC001194424084	970166996	/nfs/dbraw/zinc/16/69/96/970166996.db2.gz	KESHICVHECDBQJ-YSVLISHTSA-N	1	0	356.426	1.866	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(C(C)=O)C2)C1	ZINC001194509388	970226117	/nfs/dbraw/zinc/22/61/17/970226117.db2.gz	WDDXYRWAGKOLFA-RCCFBDPRSA-N	1	0	351.491	1.153	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc(C(F)F)cc2)C1	ZINC001194638620	970281436	/nfs/dbraw/zinc/28/14/36/970281436.db2.gz	NROXPGXIOREQMB-HZPDHXFCSA-N	1	0	354.397	1.531	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2c(F)cccc2F)C1	ZINC001194728803	970381178	/nfs/dbraw/zinc/38/11/78/970381178.db2.gz	ICYZZDCGGZTNLB-DAXOMENPSA-N	1	0	354.397	1.432	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3cc(C)nn3c2C)C1	ZINC001195119250	970701031	/nfs/dbraw/zinc/70/10/31/970701031.db2.gz	DJJREGPURXPVRP-IAOVAPTHSA-N	1	0	357.458	1.476	20	30		FDEDRO
C[NH+](C)CC1(O)CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1	ZINC001195144849	970721517	/nfs/dbraw/zinc/72/15/17/970721517.db2.gz	HFLHHEZDMOSDHX-UHFFFAOYSA-N	1	0	357.863	1.289	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C1	ZINC001195181814	970728693	/nfs/dbraw/zinc/72/86/93/970728693.db2.gz	PAZNMUORFRZYDQ-HZPDHXFCSA-N	1	0	364.490	1.142	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1O	ZINC001198003869	972630894	/nfs/dbraw/zinc/63/08/94/972630894.db2.gz	LCJYUPGNFAUGHI-HZPDHXFCSA-N	1	0	350.488	1.013	20	30		FDEDRO
C[NH+](C)CCCNC(=S)NN=C1CC[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000863093081	972665025	/nfs/dbraw/zinc/66/50/25/972665025.db2.gz	WDIKNYIUERWOTM-GFCCVEGCSA-N	1	0	357.524	1.835	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)c3ccccc32)C1	ZINC001198020929	972694945	/nfs/dbraw/zinc/69/49/45/972694945.db2.gz	SQPVZCIUXDCZPG-IAGOWNOFSA-N	1	0	370.453	1.857	20	30		FDEDRO
C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cc(Cl)ccc2Cl)C1	ZINC001198087412	972740067	/nfs/dbraw/zinc/74/00/67/972740067.db2.gz	BJISOUZMTSROTJ-HUUCEWRRSA-N	1	0	359.253	1.971	20	30		FDEDRO
C=C[C@H]1C[C@@]1(NC(=O)c1ccncc1N1CCN(C)CC1)C(=O)OCC	ZINC001198158759	972827772	/nfs/dbraw/zinc/82/77/72/972827772.db2.gz	KCDBPWTZHYRQLO-LIRRHRJNSA-N	1	0	358.442	1.071	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@H+](C[C@H](OC)C3CCC3)C[C@H]2O)CCOCC1	ZINC001198239920	972928221	/nfs/dbraw/zinc/92/82/21/972928221.db2.gz	WRKASPYEQVXJRI-KURKYZTESA-N	1	0	366.502	1.336	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]CC[S@@](=O)Cc2ccccc2)CCOCC1	ZINC000863552157	973009384	/nfs/dbraw/zinc/00/93/84/973009384.db2.gz	KESYLJYIDCHZMS-MZNJEOGPSA-N	1	0	350.484	1.596	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCOCC1	ZINC000863552327	973010065	/nfs/dbraw/zinc/01/00/65/973010065.db2.gz	XJYTUQCPOHQXAQ-IBGZPJMESA-N	1	0	359.470	1.684	20	30		FDEDRO
CC1CCC2(CC1)OC[C@@H](C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)O2	ZINC000863553833	973011552	/nfs/dbraw/zinc/01/15/52/973011552.db2.gz	KVSINVOSEWZDDQ-VZDIDWBNSA-N	1	0	352.475	1.969	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]CCn2cc(Br)cn2)CCOCC1	ZINC000863558047	973015641	/nfs/dbraw/zinc/01/56/41/973015641.db2.gz	VFLSJXUNPRTLGO-CYBMUJFWSA-N	1	0	357.252	1.307	20	30		FDEDRO
CC[C@@H](C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)NC(=O)OC(C)(C)C	ZINC000863558151	973015772	/nfs/dbraw/zinc/01/57/72/973015772.db2.gz	XDQDLVRNGQEKAH-LSDHHAIUSA-N	1	0	355.479	1.951	20	30		FDEDRO
COc1cc(OC)cc([C@@H](O)C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)c1	ZINC000863559602	973016963	/nfs/dbraw/zinc/01/69/63/973016963.db2.gz	QTQZNZLHXVHMMX-YJBOKZPZSA-N	1	0	364.442	1.398	20	30		FDEDRO
COc1ccc(OC)c([C@@H](O)C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)c1	ZINC000863559730	973017057	/nfs/dbraw/zinc/01/70/57/973017057.db2.gz	UFYPBYVVCAZEHD-PBHICJAKSA-N	1	0	364.442	1.398	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(CCCC)n2)C1	ZINC001198520964	973204627	/nfs/dbraw/zinc/20/46/27/973204627.db2.gz	UDOPFZJYXJNBDL-USXIJHARSA-N	1	0	362.474	1.173	20	30		FDEDRO
C[C@@]1(O)CCC[N@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1	ZINC000794670728	973505127	/nfs/dbraw/zinc/50/51/27/973505127.db2.gz	CDPCHNYVLDXOSP-LJQANCHMSA-N	1	0	356.426	1.517	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nsc3ccccc23)C1	ZINC001198933710	973704752	/nfs/dbraw/zinc/70/47/52/973704752.db2.gz	GGKMJZUPFWTLTO-HZPDHXFCSA-N	1	0	361.467	1.203	20	30		FDEDRO
N#Cc1cccc(CN2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)c1	ZINC001199023716	973804928	/nfs/dbraw/zinc/80/49/28/973804928.db2.gz	NVWALAHDILGJMA-RTBURBONSA-N	1	0	356.470	1.096	20	30		FDEDRO
N#Cc1cccc(CN2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)c1	ZINC001199071341	973889428	/nfs/dbraw/zinc/88/94/28/973889428.db2.gz	RWMNAGDDGDRCLO-RTBURBONSA-N	1	0	356.470	1.096	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@H+](CCCCCCC)C[C@H]1O	ZINC001199095812	973911365	/nfs/dbraw/zinc/91/13/65/973911365.db2.gz	LDJFQSUTXKXMPE-HZPDHXFCSA-N	1	0	368.522	1.382	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)C[NH+]2CCCC2)CC1	ZINC000967556292	1014158048	/nfs/dbraw/zinc/15/80/48/1014158048.db2.gz	OVJCEFSYEZGJFP-KURKYZTESA-N	1	0	363.502	1.513	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CC[C@@H]1CC[C@H](C(N)=O)O1	ZINC000865040808	974036114	/nfs/dbraw/zinc/03/61/14/974036114.db2.gz	ZKPRYBXNBUWMSE-ZWKOTPCHSA-N	1	0	372.469	1.262	20	30		FDEDRO
N#C[C@@]1(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)CCCOC1	ZINC000867312066	974163922	/nfs/dbraw/zinc/16/39/22/974163922.db2.gz	WIQZSRMCIKOJEO-ICSRJNTNSA-N	1	0	357.454	1.580	20	30		FDEDRO
C=C(C)C[C@@H]1NC(=O)N(Cc2cccc(C(=O)NCC[NH+](C)C)c2)C1=O	ZINC000865301415	974219995	/nfs/dbraw/zinc/21/99/95/974219995.db2.gz	LKKRSNLPAKJTDN-INIZCTEOSA-N	1	0	358.442	1.365	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2ccc(F)cc2)C1	ZINC001199385718	974234690	/nfs/dbraw/zinc/23/46/90/974234690.db2.gz	XKJRVATVDHPPEI-BMGDILEWSA-N	1	0	350.434	1.368	20	30		FDEDRO
C[NH+](C)CC(=O)N1CCN(c2c(Br)cccc2C#N)CC1	ZINC000865433234	974294826	/nfs/dbraw/zinc/29/48/26/974294826.db2.gz	JXCZWQNVAYVJRK-UHFFFAOYSA-N	1	0	351.248	1.531	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COc2ccc(F)c(F)c2)C1	ZINC001199498169	974304770	/nfs/dbraw/zinc/30/47/70/974304770.db2.gz	LLFUJTGZHCIJPZ-CSMYWGQOSA-N	1	0	354.397	1.860	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(NC(C)=O)c(F)c2)C1	ZINC001199539589	974321696	/nfs/dbraw/zinc/32/16/96/974321696.db2.gz	QEMCNFAGKZGLAP-JBBXEZCESA-N	1	0	363.433	1.914	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CCC(C)C)NC(C)=O)C1	ZINC001199559888	974367038	/nfs/dbraw/zinc/36/70/38/974367038.db2.gz	MBPIFRPKLODOMA-IPMKNSEASA-N	1	0	367.534	1.835	20	30		FDEDRO
N#Cc1cnc(C(=O)N2Cc3cncn3C[C@H](COCC3CC3)C2)cn1	ZINC001199665962	974452068	/nfs/dbraw/zinc/45/20/68/974452068.db2.gz	WFZVRAKINCTPJS-CQSZACIVSA-N	1	0	352.398	1.244	20	30		FDEDRO
CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc4c(C#N)c[nH]c4c3)C2)CC1	ZINC000865750545	974461269	/nfs/dbraw/zinc/46/12/69/974461269.db2.gz	QNHQBTKNPCXJGI-MRXNPFEDSA-N	1	0	351.454	1.938	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCc1ccco1	ZINC001110543463	974552012	/nfs/dbraw/zinc/55/20/12/974552012.db2.gz	SPKBQWDICAFMIC-JFRXWTBNSA-N	1	0	358.438	1.292	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccncc2)CCCO1	ZINC001200529216	974808933	/nfs/dbraw/zinc/80/89/33/974808933.db2.gz	SKUUAGGINJVWLK-QRVBRYPASA-N	1	0	359.470	1.942	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)NC(C)(C)CC)CC1	ZINC001200629316	974848628	/nfs/dbraw/zinc/84/86/28/974848628.db2.gz	XDCZEFCDIGPPLN-SJORKVTESA-N	1	0	365.518	1.853	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)C(=O)NCCCC)CC1	ZINC001200635606	974851437	/nfs/dbraw/zinc/85/14/37/974851437.db2.gz	BEMPRPHDTXEVAV-NXHRZFHOSA-N	1	0	365.518	1.853	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CCCO1	ZINC001200786219	974905769	/nfs/dbraw/zinc/90/57/69/974905769.db2.gz	CYQZGDPUBMICMQ-GUDVDZBRSA-N	1	0	369.550	1.883	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCCCCOC)C1	ZINC001201437849	975060297	/nfs/dbraw/zinc/06/02/97/975060297.db2.gz	HOZGDLFLYKRHFG-KURKYZTESA-N	1	0	354.491	1.601	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1	ZINC001201712570	975128496	/nfs/dbraw/zinc/12/84/96/975128496.db2.gz	PXVAGAUPLRPHOU-GJNTUIEKSA-N	1	0	373.497	1.191	20	30		FDEDRO
C#C[C@H](NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)[C@@H]1CCCO1	ZINC000776225707	975193384	/nfs/dbraw/zinc/19/33/84/975193384.db2.gz	QMUQKWGLJIFTTN-WCIQWLHISA-N	1	0	371.481	1.349	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1	ZINC000645327817	1014243059	/nfs/dbraw/zinc/24/30/59/1014243059.db2.gz	BQWSAYUKCROCBN-KRWDZBQOSA-N	1	0	350.507	1.010	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1)[C@@H]1CCCO1	ZINC000776229453	975209955	/nfs/dbraw/zinc/20/99/55/975209955.db2.gz	WNKCTIPOXYGTSD-MOPGFXCFSA-N	1	0	362.518	1.367	20	30		FDEDRO
COC(=O)CCC[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)n1)C2	ZINC001202220901	975266773	/nfs/dbraw/zinc/26/67/73/975266773.db2.gz	VTUOALMJMFZNMQ-HXUWFJFHSA-N	1	0	372.469	1.825	20	30		FDEDRO
C[NH+](C)CCn1cc(C(=O)NC2CCN(c3ccccc3C#N)CC2)cn1	ZINC000866095125	975401820	/nfs/dbraw/zinc/40/18/20/975401820.db2.gz	AJXUDDWFCINGRT-UHFFFAOYSA-N	1	0	366.469	1.715	20	30		FDEDRO
C#C[C@H]1CCCN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1	ZINC000847332419	975484109	/nfs/dbraw/zinc/48/41/09/975484109.db2.gz	OHOWOEZIZBRHPY-INIZCTEOSA-N	1	0	362.518	1.668	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1	ZINC000847378023	975553898	/nfs/dbraw/zinc/55/38/98/975553898.db2.gz	IPSJVZBWOHKSOF-QZTJIDSGSA-N	1	0	360.479	1.157	20	30		FDEDRO
C#C[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1	ZINC000847559257	975823381	/nfs/dbraw/zinc/82/33/81/975823381.db2.gz	YDYVEVFNOVOKCF-INIZCTEOSA-N	1	0	354.454	1.249	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12	ZINC000847608345	975904308	/nfs/dbraw/zinc/90/43/08/975904308.db2.gz	TWBHCLINCFMLTP-WBVHZDCISA-N	1	0	373.428	1.909	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)NC2CCC(N3CC[NH2+]CC3)CC2)c1	ZINC000866770786	976021714	/nfs/dbraw/zinc/02/17/14/976021714.db2.gz	FBBNWCKCUJATRW-UHFFFAOYSA-N	1	0	366.462	1.192	20	30		FDEDRO
C=CC[C@@H]1N(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](OCC)C2)CCCC1(C)C	ZINC000652731582	1014300295	/nfs/dbraw/zinc/30/02/95/1014300295.db2.gz	OHNXASIUALTUFS-OAGGEKHMSA-N	1	0	351.491	1.402	20	30		FDEDRO
C[N@H+]1C[C@H]2CN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C[C@H]2C1	ZINC000847970180	976206178	/nfs/dbraw/zinc/20/61/78/976206178.db2.gz	RVVVMZWPPBNBCO-XHSDSOJGSA-N	1	0	364.490	1.984	20	30		FDEDRO
CCN(CC)C(=O)C[NH+]1CCC(NC(=O)[C@@H](O)c2ccc(C#N)cc2)CC1	ZINC000848063143	976295146	/nfs/dbraw/zinc/29/51/46/976295146.db2.gz	CQGAIASFNSTQAS-IBGZPJMESA-N	1	0	372.469	1.041	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)N2CCCN(c3cc[nH+]cc3)CC2)c1	ZINC000867706510	976689862	/nfs/dbraw/zinc/68/98/62/976689862.db2.gz	YJRUBBFZDHVQPY-UHFFFAOYSA-N	1	0	360.414	1.993	20	30		FDEDRO
CS(=O)(=O)CCOc1cccc(NC(=O)[C@@H]([NH3+])CCCCC#N)c1	ZINC000848399175	976717789	/nfs/dbraw/zinc/71/77/89/976717789.db2.gz	NTQCPDGVYDJCGW-HNNXBMFYSA-N	1	0	353.444	1.460	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)N(C)C	ZINC001110603949	976899833	/nfs/dbraw/zinc/89/98/33/976899833.db2.gz	WSSOKMMUIGEMQE-OAGGEKHMSA-N	1	0	371.547	1.592	20	30		FDEDRO
C[NH+]1CCN(C2CCN(S(=O)(=O)c3ccc(C#N)s3)CC2)CC1	ZINC000867816689	976929420	/nfs/dbraw/zinc/92/94/20/976929420.db2.gz	HAWUBWDLSVMLON-UHFFFAOYSA-N	1	0	354.501	1.020	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCCC(=O)NC1CCCCC1	ZINC000867945714	977124925	/nfs/dbraw/zinc/12/49/25/977124925.db2.gz	HGCXULOJSNMLDQ-IBGZPJMESA-N	1	0	354.454	1.700	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCCCN1CCCCCC1=O	ZINC000867957822	977141772	/nfs/dbraw/zinc/14/17/72/977141772.db2.gz	ZURSSVQWCXNEBX-IBGZPJMESA-N	1	0	354.454	1.654	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCCCN1CCCCCC1=O	ZINC000867957823	977142032	/nfs/dbraw/zinc/14/20/32/977142032.db2.gz	ZURSSVQWCXNEBX-LJQANCHMSA-N	1	0	354.454	1.654	20	30		FDEDRO
C[NH+]=C(NCC1(COC)CCN(C(=O)OC(C)(C)C)CC1)NC1CC1	ZINC000849002342	977287566	/nfs/dbraw/zinc/28/75/66/977287566.db2.gz	FXHLFEDSJVCNME-UHFFFAOYSA-N	1	0	354.495	1.978	20	30		FDEDRO
C[NH+]=C(NCCN1CCN(c2ccc(OC)cc2)CC1)NCc1ccco1	ZINC000849049073	977292716	/nfs/dbraw/zinc/29/27/16/977292716.db2.gz	CLJWCJDYRCBQTQ-UHFFFAOYSA-N	1	0	371.485	1.775	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@@H](NC(=O)NC1CC[NH+](C[C@@H]3CCOC3)CC1)C2	ZINC000868275130	977431881	/nfs/dbraw/zinc/43/18/81/977431881.db2.gz	OCOWAJZGWJTPFZ-JXFKEZNVSA-N	1	0	368.481	1.826	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1	ZINC000868282240	977440745	/nfs/dbraw/zinc/44/07/45/977440745.db2.gz	UVSPZWGFMRXCBG-LJQANCHMSA-N	1	0	356.470	1.826	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N2CCN(c3ccc(C#N)cc3)CC2)CCOCC1	ZINC000868286360	977447103	/nfs/dbraw/zinc/44/71/03/977447103.db2.gz	VNXQZAIWNIWFNZ-UHFFFAOYSA-N	1	0	371.485	1.501	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCO[C@H]1c1ccccc1	ZINC001114422238	977555663	/nfs/dbraw/zinc/55/56/63/977555663.db2.gz	XRGYZDLRNWVWPM-MJCUULBUSA-N	1	0	368.477	1.851	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cnn(CC#N)c2)[C@H](c2cnn(C)c2)C1	ZINC000849514164	977707024	/nfs/dbraw/zinc/70/70/24/977707024.db2.gz	ZSSQLGHUYZOLSJ-SJORKVTESA-N	1	0	355.446	1.593	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000868571462	977782359	/nfs/dbraw/zinc/78/23/59/977782359.db2.gz	BIMSJDRHRZERLJ-SJLPKXTDSA-N	1	0	350.507	1.389	20	30		FDEDRO
C=CCn1cc(CNC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)nn1	ZINC000849606386	977837295	/nfs/dbraw/zinc/83/72/95/977837295.db2.gz	OSUOLELSFNFPMR-ZWKOTPCHSA-N	1	0	371.489	1.328	20	30		FDEDRO
N#Cc1cc2c(n(C[C@@H]3CNC(=O)O3)c1=O)CC[N@H+](Cc1ccccc1)C2	ZINC000850003298	978097741	/nfs/dbraw/zinc/09/77/41/978097741.db2.gz	YLVCHHWTJCRPOK-KRWDZBQOSA-N	1	0	364.405	1.387	20	30		FDEDRO
COC[C@@H](C)Oc1ccc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1	ZINC000850137661	978199692	/nfs/dbraw/zinc/19/96/92/978199692.db2.gz	TWUOFOPWVOXJES-IWHJNQCMSA-N	1	0	359.426	1.716	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(OCC#N)c2)C1	ZINC000850505084	978405321	/nfs/dbraw/zinc/40/53/21/978405321.db2.gz	MGWIARCAXPOYTA-CQSZACIVSA-N	1	0	358.442	1.764	20	30		FDEDRO
C#CCCN(CCOC)C(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1OC	ZINC000850725948	978649352	/nfs/dbraw/zinc/64/93/52/978649352.db2.gz	NKUPWLVQQGPIBY-UHFFFAOYSA-N	1	0	361.442	1.194	20	30		FDEDRO
N#Cc1cccnc1NCCNC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1	ZINC000850759169	978662934	/nfs/dbraw/zinc/66/29/34/978662934.db2.gz	NAMDGCVYBRQQFU-KRWDZBQOSA-N	1	0	366.425	1.848	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)c1	ZINC000850831565	978688711	/nfs/dbraw/zinc/68/87/11/978688711.db2.gz	YGYQWBCICRKRHT-KRWDZBQOSA-N	1	0	369.465	1.875	20	30		FDEDRO
CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)cc1C#N	ZINC000850849284	978696904	/nfs/dbraw/zinc/69/69/04/978696904.db2.gz	WLFPJAUWQXCYLW-UHFFFAOYSA-N	1	0	371.397	1.015	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCS1(=O)=O)C2	ZINC001110629036	978815249	/nfs/dbraw/zinc/81/52/49/978815249.db2.gz	AKOSZKHRECNDME-ZACQAIPSSA-N	1	0	371.547	1.714	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1CN(C(=O)[C@H](CC)[NH+](C)C)C1	ZINC000968000587	1014537840	/nfs/dbraw/zinc/53/78/40/1014537840.db2.gz	ICWPIBDXYHHMIJ-ULQDDVLXSA-N	1	0	351.491	1.367	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CCN1C1CC1	ZINC000851672776	978992096	/nfs/dbraw/zinc/99/20/96/978992096.db2.gz	GBCKGVZXIWDOHT-GUDVDZBRSA-N	1	0	353.470	1.514	20	30		FDEDRO
N#Cc1ccc(CN2CC[NH+](C[C@](O)(C(N)=O)c3ccccc3)CC2)cc1	ZINC000851724343	979016709	/nfs/dbraw/zinc/01/67/09/979016709.db2.gz	YMSYPWAGBVDLAN-OAQYLSRUSA-N	1	0	364.449	1.049	20	30		FDEDRO
CC1([NH+]2CCC2)CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000880476365	979218289	/nfs/dbraw/zinc/21/82/89/979218289.db2.gz	UZZRHYRJGPTTQM-UHFFFAOYSA-N	1	0	351.450	1.846	20	30		FDEDRO
C#CCNC(=O)CC[N@H+]1CC[C@]2(C1)CN(Cc1ccccc1)C[C@H](C)O2	ZINC000880498579	979246269	/nfs/dbraw/zinc/24/62/69/979246269.db2.gz	NCWUCBYTEAOXHS-RXVVDRJESA-N	1	0	355.482	1.491	20	30		FDEDRO
C#C[C@@H](NC(=O)NCc1ccccc1OCC[NH+](C)C)C1CCOCC1	ZINC000852028114	979284231	/nfs/dbraw/zinc/28/42/31/979284231.db2.gz	GSMZZHDKMNFADV-GOSISDBHSA-N	1	0	359.470	1.855	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC(N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000968011592	1014567021	/nfs/dbraw/zinc/56/70/21/1014567021.db2.gz	LPWHKLBBWCCTKZ-NVXWUHKLSA-N	1	0	358.486	1.687	20	30		FDEDRO
C#C[C@](C)(CC)[NH2+]CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O	ZINC000852102627	979350756	/nfs/dbraw/zinc/35/07/56/979350756.db2.gz	ZWRSACPRYWIHGQ-WOJBJXKFSA-N	1	0	370.453	1.352	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)CC1	ZINC000880657844	979376676	/nfs/dbraw/zinc/37/66/76/979376676.db2.gz	PGAVWJNMZUTCSQ-FQEVSTJZSA-N	1	0	350.466	1.941	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)CCO1	ZINC000881137253	979712949	/nfs/dbraw/zinc/71/29/49/979712949.db2.gz	LWBHATJLXNHQGS-ZWKOTPCHSA-N	1	0	355.442	1.727	20	30		FDEDRO
N#Cc1ccc(CC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1	ZINC000881623283	980018913	/nfs/dbraw/zinc/01/89/13/980018913.db2.gz	XHBGVVYFVWSXEQ-UHFFFAOYSA-N	1	0	354.454	1.433	20	30		FDEDRO
CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1	ZINC000882492637	980675669	/nfs/dbraw/zinc/67/56/69/980675669.db2.gz	BIFWCJLGJZOFND-UKRRQHHQSA-N	1	0	360.845	1.775	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)c2ccc(N3CC[NH+](CC)CC3)cc2)CC1	ZINC000882524547	980700383	/nfs/dbraw/zinc/70/03/83/980700383.db2.gz	TVLFMJVSJDYKDG-UHFFFAOYSA-N	1	0	355.482	1.819	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000882662632	980801896	/nfs/dbraw/zinc/80/18/96/980801896.db2.gz	KBCOKSVDISEHFT-HNNXBMFYSA-N	1	0	365.503	1.007	20	30		FDEDRO
C#Cc1ccc(C(=O)N(CC)C2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cn1	ZINC000968190812	1014736997	/nfs/dbraw/zinc/73/69/97/1014736997.db2.gz	DBAFUNAGFDOKMG-RBUKOAKNSA-N	1	0	368.481	1.466	20	30		FDEDRO
C[N@H+](CCNc1c(C#N)cnc2c(F)ccc(F)c21)CCOCCO	ZINC000882951611	981821398	/nfs/dbraw/zinc/82/13/98/981821398.db2.gz	MXYGFORXAZRRSD-UHFFFAOYSA-N	1	0	350.369	1.159	20	30		FDEDRO
C#CCCOc1ccc(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)cc1	ZINC000858244603	981938906	/nfs/dbraw/zinc/93/89/06/981938906.db2.gz	XQQXSRGRVHXCQC-KRWDZBQOSA-N	1	0	362.437	1.895	20	30		FDEDRO
C#CCOc1ccc(Br)cc1C[NH2+]CCN1CC[C@H](O)C1	ZINC000858338367	981993729	/nfs/dbraw/zinc/99/37/29/981993729.db2.gz	GNCAFZGLBROFIH-HNNXBMFYSA-N	1	0	353.260	1.617	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N(CCC[NH3+])CC(F)(F)F	ZINC000883471001	982177248	/nfs/dbraw/zinc/17/72/48/982177248.db2.gz	QDICNRKVKIBCTQ-UHFFFAOYSA-N	1	0	351.350	1.469	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1	ZINC000883603103	982299419	/nfs/dbraw/zinc/29/94/19/982299419.db2.gz	KPKMSLXHZIZZHN-LJQANCHMSA-N	1	0	371.481	1.313	20	30		FDEDRO
CC[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N	ZINC000883614177	982310961	/nfs/dbraw/zinc/31/09/61/982310961.db2.gz	AWCCUOZRFLSONG-BFHYXJOUSA-N	1	0	351.451	1.139	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1	ZINC000859028117	982466503	/nfs/dbraw/zinc/46/65/03/982466503.db2.gz	QFCOGTLUHIYIDW-SFHVURJKSA-N	1	0	359.470	1.951	20	30		FDEDRO
C=C(C)C[C@H](CO)NC(=O)NC[C@H]1CN(Cc2ccc(C)cc2)CCO1	ZINC000883803875	982480918	/nfs/dbraw/zinc/48/09/18/982480918.db2.gz	QPSXUADBWBFDAB-MOPGFXCFSA-N	1	0	361.486	1.822	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1	ZINC000859132301	982562327	/nfs/dbraw/zinc/56/23/27/982562327.db2.gz	TWZUFCAGBABCRM-HZPDHXFCSA-N	1	0	361.442	1.897	20	30		FDEDRO
C[N@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000859153541	982579986	/nfs/dbraw/zinc/57/99/86/982579986.db2.gz	SZMFWLOOQCGTEI-HZPDHXFCSA-N	1	0	367.490	1.999	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)CCOCC1	ZINC000859170802	982595251	/nfs/dbraw/zinc/59/52/51/982595251.db2.gz	APHMWUVZRHGMGB-IRXDYDNUSA-N	1	0	372.469	1.803	20	30		FDEDRO
CC[N@@H+]1CC[C@H]1CNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000883894193	982595785	/nfs/dbraw/zinc/59/57/85/982595785.db2.gz	ZXDKLVGCCYEHFN-AWEZNQCLSA-N	1	0	358.446	1.349	20	30		FDEDRO
CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000859263137	982658182	/nfs/dbraw/zinc/65/81/82/982658182.db2.gz	WWWQOLQRLFPPJX-IKGGRYGDSA-N	1	0	367.490	1.904	20	30		FDEDRO
C[NH2+]CCOc1ccccc1C(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000884007315	982697809	/nfs/dbraw/zinc/69/78/09/982697809.db2.gz	WXTRCKKGDYSQAO-UHFFFAOYSA-N	1	0	365.437	1.514	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2	ZINC001110771260	982723038	/nfs/dbraw/zinc/72/30/38/982723038.db2.gz	NTQJTDXDOKJDIF-UWIFEVILSA-N	1	0	367.453	1.360	20	30		FDEDRO
C[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccc(-n2cncn2)cc1	ZINC000884058604	982786860	/nfs/dbraw/zinc/78/68/60/982786860.db2.gz	PIQZKTICJDHKPE-DOHUUOFWSA-N	1	0	350.426	1.584	20	30		FDEDRO
CC[NH+](CC)CCCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000800185912	982788422	/nfs/dbraw/zinc/78/84/22/982788422.db2.gz	PMIZTTSDSJPTOS-AWEZNQCLSA-N	1	0	367.471	1.500	20	30		FDEDRO
CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884068220	982816805	/nfs/dbraw/zinc/81/68/05/982816805.db2.gz	IJAKVWUNEZDSLW-MUZJZNNISA-N	1	0	355.438	1.416	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCN(C(=O)Cc3ccccc3)CC1)C2	ZINC000884070694	982817498	/nfs/dbraw/zinc/81/74/98/982817498.db2.gz	VBOSPQGEAHSVQD-WBTXTPOCSA-N	1	0	366.465	1.039	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1ccc(CN3CCOC3=O)cc1)C2	ZINC000884087755	982847241	/nfs/dbraw/zinc/84/72/41/982847241.db2.gz	MTMOKIVSDGMBLX-HVEKOLDVSA-N	1	0	354.410	1.717	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1ccc(CN3CCOC3=O)cc1)C2	ZINC000884087756	982847563	/nfs/dbraw/zinc/84/75/63/982847563.db2.gz	MTMOKIVSDGMBLX-XAUUPUKJSA-N	1	0	354.410	1.717	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCN(C(=O)C3CCCCC3)CC1)C2	ZINC000884107691	982878459	/nfs/dbraw/zinc/87/84/59/982878459.db2.gz	CKWFHQFCLANDMC-GNZRSQJKSA-N	1	0	358.486	1.377	20	30		FDEDRO
CNC(=O)Cn1ccc2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)cc21	ZINC000884116235	982893421	/nfs/dbraw/zinc/89/34/21/982893421.db2.gz	PSFBAKBPEUGUCZ-CHWWFWEZSA-N	1	0	365.437	1.465	20	30		FDEDRO
CCN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[C@H]1CCN(c2ccccc2)C1=O	ZINC000884135237	982918037	/nfs/dbraw/zinc/91/80/37/982918037.db2.gz	FJBPLRZQPRRJGT-BPRAZLKKSA-N	1	0	366.465	1.780	20	30		FDEDRO
CN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[C@H]1CCCN(c2ccccc2)C1=O	ZINC000884143405	982924507	/nfs/dbraw/zinc/92/45/07/982924507.db2.gz	HIVNLBMPGUYVDL-BPRAZLKKSA-N	1	0	366.465	1.780	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@H]21	ZINC000331753770	982937748	/nfs/dbraw/zinc/93/77/48/982937748.db2.gz	COXVIEJJBWNZRR-MSOLQXFVSA-N	1	0	359.474	1.278	20	30		FDEDRO
Cc1noc(C)c1CN1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1	ZINC000884194256	982970112	/nfs/dbraw/zinc/97/01/12/982970112.db2.gz	DSTVYQNMQFMLQD-WUJZJPHMSA-N	1	0	357.458	1.075	20	30		FDEDRO
CSc1ccc(CNC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1C#N	ZINC000884206347	982981889	/nfs/dbraw/zinc/98/18/89/982981889.db2.gz	SFKRMRNDKIQVLF-AWEZNQCLSA-N	1	0	361.515	1.715	20	30		FDEDRO
COc1ccccc1N1CC[C@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1	ZINC000884207891	982984038	/nfs/dbraw/zinc/98/40/38/982984038.db2.gz	JUDWKTANFMNLBV-BAQZJKQNSA-N	1	0	368.481	1.777	20	30		FDEDRO
Cc1cc(N2CCC(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CC2)nc(C)n1	ZINC000884230035	983004035	/nfs/dbraw/zinc/00/40/35/983004035.db2.gz	HJSIQHPMXSHVFU-LFDOHDQPSA-N	1	0	368.485	1.318	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1	ZINC000884234976	983010860	/nfs/dbraw/zinc/01/08/60/983010860.db2.gz	JOTKNYKWUUTUPX-KRWDZBQOSA-N	1	0	360.458	1.214	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1	ZINC000884319661	983081126	/nfs/dbraw/zinc/08/11/26/983081126.db2.gz	AFUXSXHBOLZQJI-UXLLHSPISA-N	1	0	367.396	1.273	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCN(c3cc(C4CC4)[nH]n3)CC1)C2	ZINC000884320155	983081270	/nfs/dbraw/zinc/08/12/70/983081270.db2.gz	LRQQCKJBTWTNKM-XAUUPUKJSA-N	1	0	354.458	1.075	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H]2CCc3ncnn32)[nH]1	ZINC001095329227	983146032	/nfs/dbraw/zinc/14/60/32/983146032.db2.gz	BKIKVHSTLKEIPA-VRKREXBASA-N	1	0	351.414	1.000	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCN(c3ccc(F)cc3)C1=O)C2	ZINC000884435979	983153667	/nfs/dbraw/zinc/15/36/67/983153667.db2.gz	PQOHLBGPMQEWTH-BKUHTVRMSA-N	1	0	356.401	1.187	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C(N)=O)cc2)c[nH]1	ZINC001095329330	983158408	/nfs/dbraw/zinc/15/84/08/983158408.db2.gz	HFXOMYWNGIYZHC-SQNIBIBYSA-N	1	0	363.421	1.521	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1	ZINC000884470862	983173907	/nfs/dbraw/zinc/17/39/07/983173907.db2.gz	DDCLWVRPXDSVMH-NGEICVOHSA-N	1	0	367.428	1.485	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)c(F)c1	ZINC000884585200	983261299	/nfs/dbraw/zinc/26/12/99/983261299.db2.gz	DHRXZUQETJWUGH-LJQANCHMSA-N	1	0	358.417	1.306	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(c3ccccc3)CCC1)C2	ZINC001110785419	983426649	/nfs/dbraw/zinc/42/66/49/983426649.db2.gz	SWTCNCXDGBNFTR-QRVBRYPASA-N	1	0	365.477	1.579	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2	ZINC000861488452	983743648	/nfs/dbraw/zinc/74/36/48/983743648.db2.gz	PWLFMSOOPMGWKP-UHFFFAOYSA-N	1	0	354.204	1.132	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1	ZINC000861515610	983758355	/nfs/dbraw/zinc/75/83/55/983758355.db2.gz	HPPJOCZEVIHDBO-GXTWGEPZSA-N	1	0	353.344	1.592	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3cc(OC)ccn31)C2	ZINC001110806673	983857334	/nfs/dbraw/zinc/85/73/34/983857334.db2.gz	ZTOMKYQDQAMGMV-OIISXLGYSA-N	1	0	370.453	1.881	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)COC(=O)N2	ZINC000861820523	983939267	/nfs/dbraw/zinc/93/92/67/983939267.db2.gz	ZKOLNIZSIRNERW-UHFFFAOYSA-N	1	0	373.413	1.381	20	30		FDEDRO
N#CCOc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1	ZINC000862091700	984104753	/nfs/dbraw/zinc/10/47/53/984104753.db2.gz	MKVIVUQODNLPDA-MRXNPFEDSA-N	1	0	356.426	1.661	20	30		FDEDRO
C[NH+](C)CCN1CCN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)CC1=O	ZINC000862121853	984140469	/nfs/dbraw/zinc/14/04/69/984140469.db2.gz	OGHHERNLYIUGJP-UHFFFAOYSA-N	1	0	368.481	1.602	20	30		FDEDRO
C#CCCOc1ccc(C[N@H+]2CCC[C@@H](CS(=O)(=O)NC)C2)cc1	ZINC000862551028	984409922	/nfs/dbraw/zinc/40/99/22/984409922.db2.gz	JRGOKVBPWWZYDF-QGZVFWFLSA-N	1	0	350.484	1.850	20	30		FDEDRO
C[NH+](C)C1CCN(CCNC(=O)Nc2ccc(F)cc2OCC#N)CC1	ZINC000135296904	984658259	/nfs/dbraw/zinc/65/82/59/984658259.db2.gz	XGZRSHSFSRUBSI-UHFFFAOYSA-N	1	0	363.437	1.876	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1	ZINC000884782574	984785558	/nfs/dbraw/zinc/78/55/58/984785558.db2.gz	QSKGRQMVWLEMBV-FUHWJXTLSA-N	1	0	365.518	1.842	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)C(=O)Cc1cccc(OCC#N)c1	ZINC000869764532	985311213	/nfs/dbraw/zinc/31/12/13/985311213.db2.gz	UHWIBRFYODKYLS-UHFFFAOYSA-N	1	0	359.470	1.948	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]2C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)cc1	ZINC000885870081	985732165	/nfs/dbraw/zinc/73/21/65/985732165.db2.gz	YJPPZJAFCUZZAL-UXHICEINSA-N	1	0	368.481	1.897	20	30		FDEDRO
CCO[C@@H](CNC(=O)NC1CCN(c2ccccc2C#N)CC1)C[NH+](C)C	ZINC000923619649	985966855	/nfs/dbraw/zinc/96/68/55/985966855.db2.gz	ZTXPPJVUPWMOMO-SFHVURJKSA-N	1	0	373.501	1.793	20	30		FDEDRO
C#CCN1CCC[C@@H]([NH2+]Cc2ccccc2OCC(=O)N2CCCC2)C1	ZINC000886213127	985978192	/nfs/dbraw/zinc/97/81/92/985978192.db2.gz	MRVDCJGUQPGUEC-LJQANCHMSA-N	1	0	355.482	1.875	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CCC1	ZINC000886274680	986017161	/nfs/dbraw/zinc/01/71/61/986017161.db2.gz	YMXWZDJSYSGBFX-KURKYZTESA-N	1	0	367.449	1.548	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@H+]2C[C@@H]3C[C@H]2CN3C[C@@H](O)CC2(C#N)CCC2)CCC1	ZINC000886307413	986053183	/nfs/dbraw/zinc/05/31/83/986053183.db2.gz	RLYUWNHCVLASAF-CADBVGFASA-N	1	0	372.513	1.635	20	30		FDEDRO
C#CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)C1	ZINC000886353861	986091077	/nfs/dbraw/zinc/09/10/77/986091077.db2.gz	RIMMPDRTKGRSIT-NWDGAFQWSA-N	1	0	367.371	1.892	20	30		FDEDRO
C#CC[N@@H+](CCC(=O)N(C)OC)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886426011	986202354	/nfs/dbraw/zinc/20/23/54/986202354.db2.gz	DGSINKJQBSWOJF-UHFFFAOYSA-N	1	0	353.463	1.731	20	30		FDEDRO
CN1CCN(c2cc[nH+]c(NC(=O)[C@@H](O)c3ccc(C#N)cc3)c2)CC1	ZINC000870666667	986211530	/nfs/dbraw/zinc/21/15/30/986211530.db2.gz	JCDXEKDMBOGIJS-SFHVURJKSA-N	1	0	351.410	1.377	20	30		FDEDRO
C#CCN(C(=O)[C@H](Cc1c[nH]cn1)NC(=O)CC(C)C)C1CC[NH+](C)CC1	ZINC000886575810	986375301	/nfs/dbraw/zinc/37/53/01/986375301.db2.gz	LLKGTZDEJAWEBV-SFHVURJKSA-N	1	0	373.501	1.039	20	30		FDEDRO
C#CCN(C(=O)C[C@@H](CNC(=O)OC(C)(C)C)OC)C1CC[NH+](C)CC1	ZINC000886577726	986377873	/nfs/dbraw/zinc/37/78/73/986377873.db2.gz	VCSLARPIYIRWHC-INIZCTEOSA-N	1	0	367.490	1.472	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1)C1CC[NH+](C)CC1	ZINC000886581254	986383224	/nfs/dbraw/zinc/38/32/24/986383224.db2.gz	PPMAMBICKPYKNL-GOSISDBHSA-N	1	0	368.481	1.490	20	30		FDEDRO
C#CCN(C(=O)Cc1csc(N2CCCC2=O)n1)C1CC[NH+](C)CC1	ZINC000886587175	986393748	/nfs/dbraw/zinc/39/37/48/986393748.db2.gz	KFIDZWIYTLGRTJ-UHFFFAOYSA-N	1	0	360.483	1.368	20	30		FDEDRO
C#CCN1CCC[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@H](C)NC(=O)OC(C)(C)C)C1	ZINC000886662264	986465456	/nfs/dbraw/zinc/46/54/56/986465456.db2.gz	AGICRFFUGSLDQL-WNRNVDISSA-N	1	0	365.518	1.992	20	30		FDEDRO
N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cnn(-c2cccc(F)c2)c1C(F)(F)F	ZINC000870940320	986526456	/nfs/dbraw/zinc/52/64/56/986526456.db2.gz	IJPATXPGFLNRLZ-TVQRCGJNSA-N	1	0	367.306	1.872	20	30		FDEDRO
C=CCC1(O)CC[NH+]([C@H](C)C(=O)N2CCC[C@H](C(=O)OCC)C2)CC1	ZINC000886764018	986565648	/nfs/dbraw/zinc/56/56/48/986565648.db2.gz	JLJQJNYTCPEZGJ-CVEARBPZSA-N	1	0	352.475	1.580	20	30		FDEDRO
N#Cc1cccc([C@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C(F)(F)F)c1	ZINC000871020542	986595337	/nfs/dbraw/zinc/59/53/37/986595337.db2.gz	XOAOBSZGBOGPST-HIFRSBDPSA-N	1	0	368.359	1.536	20	30		FDEDRO
C=CCn1c([C@H]2CCO[C@@H]2C)nnc1N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000871051107	986617450	/nfs/dbraw/zinc/61/74/50/986617450.db2.gz	PFGVYZSHTDRDSV-AEFFLSMTSA-N	1	0	374.533	1.573	20	30		FDEDRO
COc1ccc(Cn2cnc3c(cnn3C3CC[NH2+]CC3)c2=O)cc1C#N	ZINC000871677202	987191485	/nfs/dbraw/zinc/19/14/85/987191485.db2.gz	ARWNFKAYKKLRSY-UHFFFAOYSA-N	1	0	364.409	1.446	20	30		FDEDRO
N#Cc1ccc(N2CCN(C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)cn1	ZINC000872146454	987460830	/nfs/dbraw/zinc/46/08/30/987460830.db2.gz	OFJORWRREKCPGG-PMACEKPBSA-N	1	0	351.454	1.006	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]Cc2ccc(CN3CCNC3=O)cc2)CCOCC1	ZINC000872235677	987534911	/nfs/dbraw/zinc/53/49/11/987534911.db2.gz	YNWBUGNGRAEWOA-SFHVURJKSA-N	1	0	372.469	1.373	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c(C#N)c1	ZINC000872455366	987676479	/nfs/dbraw/zinc/67/64/79/987676479.db2.gz	PSECUTQKEIPKDC-OAHLLOKOSA-N	1	0	350.488	1.029	20	30		FDEDRO
C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Nc2ccn(CCC#N)n2)C1	ZINC000365643572	987945175	/nfs/dbraw/zinc/94/51/75/987945175.db2.gz	RYOGKMQIPXRGON-KRWDZBQOSA-N	1	0	352.442	2.535	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(OCC#N)c1)[NH+]1CCCC1	ZINC000298958984	987982500	/nfs/dbraw/zinc/98/25/00/987982500.db2.gz	JTXLBEHWVKGPIW-QGZVFWFLSA-N	1	0	358.442	1.764	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(-c2ccccn2)cc1	ZINC000293217904	987993239	/nfs/dbraw/zinc/99/32/39/987993239.db2.gz	BNCOPUUBPICXEF-UHFFFAOYSA-N	1	0	350.422	1.758	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc(C#N)cc(N(C)C)c2)CC1	ZINC000293218655	987994194	/nfs/dbraw/zinc/99/41/94/987994194.db2.gz	XKVFITFPDFYKOD-UHFFFAOYSA-N	1	0	371.485	1.250	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(NC(=O)C2CC2)cc1	ZINC000293226241	987998037	/nfs/dbraw/zinc/99/80/37/987998037.db2.gz	CBOYDIPZDLWJOW-UHFFFAOYSA-N	1	0	356.426	1.045	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)CN(C[N@@H+]3CC[C@@H]4CSC[C@@H]4C3)C2=O)cc1	ZINC000872721277	988006980	/nfs/dbraw/zinc/00/69/80/988006980.db2.gz	HGHOWCOLCDIASN-SJORKVTESA-N	1	0	370.478	1.965	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(CN3CC(=O)N(Cc4ccccc4C#N)C3=O)CC[C@@H]21	ZINC000872726856	988013788	/nfs/dbraw/zinc/01/37/88/988013788.db2.gz	WUQLHJVTENLANM-MSOLQXFVSA-N	1	0	367.453	1.306	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(/C=C/C(=O)OCC)cc1	ZINC000293449555	988076194	/nfs/dbraw/zinc/07/61/94/988076194.db2.gz	SJHYUQJLJBARFP-FMIVXFBMSA-N	1	0	371.437	1.273	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)nc1	ZINC000293851695	988235035	/nfs/dbraw/zinc/23/50/35/988235035.db2.gz	YJSZFILHPRFXFB-INIZCTEOSA-N	1	0	355.442	1.805	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC000872889327	988242047	/nfs/dbraw/zinc/24/20/47/988242047.db2.gz	XXHYUTFEJNCLSU-QGZVFWFLSA-N	1	0	356.474	1.659	20	30		FDEDRO
Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)nn1CCC#N	ZINC000361140245	988280386	/nfs/dbraw/zinc/28/03/86/988280386.db2.gz	GXLXOYPPDRNULX-USXIJHARSA-N	1	0	374.489	2.116	20	30		FDEDRO
CCN1C(=O)[C@H]2C[N@H+](Cc3ccc(N(C)CCC#N)cc3)CCN2C1=O	ZINC000362008632	988560590	/nfs/dbraw/zinc/56/05/90/988560590.db2.gz	FYRUXYMOQDRKGT-QGZVFWFLSA-N	1	0	355.442	1.505	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1	ZINC000873108257	988572087	/nfs/dbraw/zinc/57/20/87/988572087.db2.gz	VXCNFNFKIPRDJW-KOLCDFICSA-N	1	0	358.295	1.231	20	30		FDEDRO
N#Cc1ccc(Cl)c(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1	ZINC000873108600	988573840	/nfs/dbraw/zinc/57/38/40/988573840.db2.gz	YWZITAYCBVJPMG-ZJUUUORDSA-N	1	0	374.750	1.746	20	30		FDEDRO
C#C[C@H]1CC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC1	ZINC000873297307	988694578	/nfs/dbraw/zinc/69/45/78/988694578.db2.gz	VZZXIHGFQSGKMH-DYDDAFRHSA-N	1	0	360.502	1.561	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC2)cn1	ZINC000873333464	988718711	/nfs/dbraw/zinc/71/87/11/988718711.db2.gz	RFDSSPASLONTBN-CYBMUJFWSA-N	1	0	356.352	1.065	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1	ZINC000363091994	988914655	/nfs/dbraw/zinc/91/46/55/988914655.db2.gz	MVAYYKNUZCQDPC-ZDUSSCGKSA-N	1	0	357.410	1.204	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1C#N	ZINC000873688301	988994582	/nfs/dbraw/zinc/99/45/82/988994582.db2.gz	NXFGVYLGYYQJKX-ZIAGYGMSSA-N	1	0	358.442	1.742	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000363212281	988998269	/nfs/dbraw/zinc/99/82/69/988998269.db2.gz	MDGDWHDFRNAWFT-AOIWGVFYSA-N	1	0	357.454	1.941	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(C(=O)/C=C/c3ccc(OCC#N)cc3)CC2)C1	ZINC000363217757	989001147	/nfs/dbraw/zinc/00/11/47/989001147.db2.gz	BJBISLZHJWOGIM-MBNRZODZSA-N	1	0	368.481	1.841	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N(C)C2CC[NH+](C3CCOCC3)CC2)CC1	ZINC000369074071	989024307	/nfs/dbraw/zinc/02/43/07/989024307.db2.gz	KUHQFAJXSMWEJT-UHFFFAOYSA-N	1	0	364.534	1.922	20	30		FDEDRO
C[NH+]1CCC(n2ccc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)n2)CC1	ZINC000369383408	989049060	/nfs/dbraw/zinc/04/90/60/989049060.db2.gz	KLEUDBVDMULIBE-QGZVFWFLSA-N	1	0	362.437	2.342	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NCC[NH+](CC)CC)s1	ZINC000873721508	989061503	/nfs/dbraw/zinc/06/15/03/989061503.db2.gz	ATMFSIWNARNXIP-UHFFFAOYSA-N	1	0	359.517	1.213	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1CC(=O)N(C)C1(C#N)CCCCC1	ZINC000369626349	989069048	/nfs/dbraw/zinc/06/90/48/989069048.db2.gz	ALZACMDWJGFVFO-KRWDZBQOSA-N	1	0	362.518	1.856	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@]3(CCCCO3)C2)CC1	ZINC000369671659	989081193	/nfs/dbraw/zinc/08/11/93/989081193.db2.gz	VCZQTWUCPJGBGF-UYAOXDASSA-N	1	0	362.518	1.714	20	30		FDEDRO
N#Cc1ncn(C2CC[NH+](CC(=O)N3CCC[C@@H]4CCCC[C@H]43)CC2)n1	ZINC000369729457	989126055	/nfs/dbraw/zinc/12/60/55/989126055.db2.gz	KPPQWXZVCUDQNH-DOTOQJQBSA-N	1	0	356.474	1.968	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1C#N	ZINC000873781091	989173187	/nfs/dbraw/zinc/17/31/87/989173187.db2.gz	UWCCBDIIFDHBGS-HNNXBMFYSA-N	1	0	370.453	1.696	20	30		FDEDRO
Cc1nc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)ccc1C#N	ZINC000369820493	989213986	/nfs/dbraw/zinc/21/39/86/989213986.db2.gz	VDAGAANGJDPAMS-YJBOKZPZSA-N	1	0	352.442	1.808	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCCN(c3ncccc3C#N)CC2)CC1	ZINC000363579925	989319953	/nfs/dbraw/zinc/31/99/53/989319953.db2.gz	IMLLWIOURWYUED-UHFFFAOYSA-N	1	0	368.485	1.825	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc1C#N	ZINC000873891850	989401562	/nfs/dbraw/zinc/40/15/62/989401562.db2.gz	JZCNFXLOOKSVMA-CQSZACIVSA-N	1	0	370.453	1.838	20	30		FDEDRO
C[NH+](C)C1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1	ZINC000363715405	989405977	/nfs/dbraw/zinc/40/59/77/989405977.db2.gz	QLCMTILPQRCMIF-UHFFFAOYSA-N	1	0	356.405	2.441	20	30		FDEDRO
CC#CCN(C)C(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(F)c1	ZINC000873896466	989410785	/nfs/dbraw/zinc/41/07/85/989410785.db2.gz	DWKXYTGDZBLKBZ-UHFFFAOYSA-N	1	0	360.433	1.388	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)NC1CCN(c2cc(CC)ncn2)CC1	ZINC000296933581	989450802	/nfs/dbraw/zinc/45/08/02/989450802.db2.gz	OZJHMSLLSOCGNF-UHFFFAOYSA-N	1	0	358.490	1.262	20	30		FDEDRO
N#Cc1ncn(C2CC[NH+](C[C@@H]3CN(c4ccccc4)C(=O)O3)CC2)n1	ZINC000370133937	989479328	/nfs/dbraw/zinc/47/93/28/989479328.db2.gz	UHQRCWIVWXHYGM-MRXNPFEDSA-N	1	0	352.398	1.812	20	30		FDEDRO
Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+]Cc1cc(C#N)n(C)c1	ZINC000364332393	989538727	/nfs/dbraw/zinc/53/87/27/989538727.db2.gz	PDYJKFFXWNQBQF-UHFFFAOYSA-N	1	0	355.490	1.370	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@]2(C1)C(=O)Nc1ccccc12	ZINC000364432632	989566558	/nfs/dbraw/zinc/56/65/58/989566558.db2.gz	CQJRWJIRSBOHGX-LJQANCHMSA-N	1	0	351.410	1.238	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)N2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)cc1	ZINC000370300385	989638418	/nfs/dbraw/zinc/63/84/18/989638418.db2.gz	IOUAKNINOWLVDW-ROUUACIJSA-N	1	0	372.469	1.568	20	30		FDEDRO
CC(C)[NH+]1CCN([C@H]2CCN(C(=O)Cc3ccc(OCC#N)cc3)C2)CC1	ZINC000370421034	989729522	/nfs/dbraw/zinc/72/95/22/989729522.db2.gz	CDHQAUADCGYCAI-IBGZPJMESA-N	1	0	370.497	1.758	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@]1(CO)Cc1ccccc1	ZINC000364853661	989843129	/nfs/dbraw/zinc/84/31/29/989843129.db2.gz	FSVJWLCCSMIZON-HXUWFJFHSA-N	1	0	354.454	1.712	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1	ZINC000874171439	989864342	/nfs/dbraw/zinc/86/43/42/989864342.db2.gz	DAMMDHAAYVXEFH-IJEWVQPXSA-N	1	0	356.426	1.469	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1	ZINC000874175303	989885037	/nfs/dbraw/zinc/88/50/37/989885037.db2.gz	VRGKBDMHMDSNFK-XJKSGUPXSA-N	1	0	359.401	1.329	20	30		FDEDRO
Cc1ccn(C2CC[NH+](CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2)n1	ZINC000365013307	989956466	/nfs/dbraw/zinc/95/64/66/989956466.db2.gz	ZUEOFNNLAMEYDD-IBGZPJMESA-N	1	0	372.517	1.521	20	30		FDEDRO
N#CCCn1cc(C(=O)CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c2ccccc21	ZINC000653825143	1015522693	/nfs/dbraw/zinc/52/26/93/1015522693.db2.gz	SXARIKICKPBYQD-JKSUJKDBSA-N	1	0	352.438	1.488	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(Nc3ccc(C#N)cn3)CC2)CC1	ZINC000365095401	990020265	/nfs/dbraw/zinc/02/02/65/990020265.db2.gz	GVLPCQPMOYGFGV-UHFFFAOYSA-N	1	0	351.454	1.701	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)n1	ZINC000365112696	990035309	/nfs/dbraw/zinc/03/53/09/990035309.db2.gz	UIPRECDRBDCGBE-KRWDZBQOSA-N	1	0	373.501	1.691	20	30		FDEDRO
CCN1CCO[C@H](CN2CCN(Cc3ccc(OC)c(C#N)c3)CC2)C1	ZINC000370872327	990069044	/nfs/dbraw/zinc/06/90/44/990069044.db2.gz	ILNJZUKHABXTSX-IBGZPJMESA-N	1	0	358.486	1.405	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)c1	ZINC000371230721	990315429	/nfs/dbraw/zinc/31/54/29/990315429.db2.gz	RWEHROBNMUBXHM-HKUYNNGSSA-N	1	0	366.465	1.650	20	30		FDEDRO
C=C(C)COc1cc(CN2CCN3C(=O)N(C)C(=O)[C@@H]3C2)ccc1OC	ZINC000371396573	990401316	/nfs/dbraw/zinc/40/13/16/990401316.db2.gz	KQXQLGHWKXCUON-HNNXBMFYSA-N	1	0	359.426	1.728	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1	ZINC000371474457	990458112	/nfs/dbraw/zinc/45/81/12/990458112.db2.gz	AJMJRZFGWOIGGT-HXUWFJFHSA-N	1	0	367.493	1.887	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCCCCC2)C1	ZINC000968718884	1015567118	/nfs/dbraw/zinc/56/71/18/1015567118.db2.gz	CUIKRGWYOZPXJL-KURKYZTESA-N	1	0	363.502	1.561	20	30		FDEDRO
N#Cc1ccc(CNC(=O)CN2CCC[C@@H]2C(=O)N2CCSCC2)cc1	ZINC000371584766	990547366	/nfs/dbraw/zinc/54/73/66/990547366.db2.gz	BXEOUDUVRSPKGX-QGZVFWFLSA-N	1	0	372.494	1.214	20	30		FDEDRO
C=CCOCCNC(=O)c1nnn(-c2cccc3c2CC[N@@H+](CC)C3)c1C	ZINC000371655521	990601437	/nfs/dbraw/zinc/60/14/37/990601437.db2.gz	LQEFPLDCSMRBDH-UHFFFAOYSA-N	1	0	369.469	1.886	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)NCc1ccccc1C[NH+]1CCCC1	ZINC000875013396	990728808	/nfs/dbraw/zinc/72/88/08/990728808.db2.gz	CLSZZULXZBPWGO-GOSISDBHSA-N	1	0	357.454	1.053	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)NCc1ccccc1C[NH+]1CCCC1	ZINC000875013831	990729233	/nfs/dbraw/zinc/72/92/33/990729233.db2.gz	MZRZQYPCLVDPLD-IBGZPJMESA-N	1	0	371.481	1.443	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)N1CCN(C)CC1	ZINC000371875595	990792405	/nfs/dbraw/zinc/79/24/05/990792405.db2.gz	DMJCIYGOZUZSMP-GOSISDBHSA-N	1	0	369.513	1.297	20	30		FDEDRO
C[C@H](C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)n1cnc(C#N)n1	ZINC000409742281	990796390	/nfs/dbraw/zinc/79/63/90/990796390.db2.gz	CWOYEXWAPUXNIJ-HZPDHXFCSA-N	1	0	352.442	1.834	20	30		FDEDRO
C[C@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)n1cnc(C#N)n1	ZINC000409755349	990809273	/nfs/dbraw/zinc/80/92/73/990809273.db2.gz	XPPLOMORPRVQDT-WBVHZDCISA-N	1	0	352.442	1.691	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1	ZINC000371906200	990815717	/nfs/dbraw/zinc/81/57/17/990815717.db2.gz	QNFQHVQMYFPXFD-YSVLISHTSA-N	1	0	356.401	1.579	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)C1	ZINC000372217042	990966053	/nfs/dbraw/zinc/96/60/53/990966053.db2.gz	KOMMXCSEWCZWDE-SIFCLUCFSA-N	1	0	367.453	1.526	20	30		FDEDRO
CCCCCCCNC(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000875151027	990968178	/nfs/dbraw/zinc/96/81/78/990968178.db2.gz	PYCLHAPCXXNYOV-UHFFFAOYSA-N	1	0	366.550	1.748	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1	ZINC000875178206	991013765	/nfs/dbraw/zinc/01/37/65/991013765.db2.gz	LGLFUJCJMWWODW-WBVHZDCISA-N	1	0	359.470	1.387	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)c1C#N	ZINC000372662879	991317793	/nfs/dbraw/zinc/31/77/93/991317793.db2.gz	HDSXCMJQIUZVIG-HZPDHXFCSA-N	1	0	370.453	1.253	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)N1CCC(CC)([NH+]2CCCC2)CC1)[C@@H]1CCCO1	ZINC000875325060	991321537	/nfs/dbraw/zinc/32/15/37/991321537.db2.gz	ONRNZFHFMRQIAW-SJORKVTESA-N	1	0	361.486	1.150	20	30		FDEDRO
C[N@H+](C[C@@H]1CC12CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)C1CC1	ZINC000372840347	991584360	/nfs/dbraw/zinc/58/43/60/991584360.db2.gz	KBVXIBCTDRJUOK-KRWDZBQOSA-N	1	0	357.502	1.839	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)Cc2cccc(C#N)c2)C[C@@H]1C	ZINC000410735733	991751713	/nfs/dbraw/zinc/75/17/13/991751713.db2.gz	KBTUFRVOJYMTAV-MAUKXSAKSA-N	1	0	356.470	1.848	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@](C)(C#N)CN(C)C)[C@@H](c2cnn(C)c2)C1	ZINC000875704466	991923146	/nfs/dbraw/zinc/92/31/46/991923146.db2.gz	DATVHOPZFITNFH-SCTDSRPQSA-N	1	0	360.506	1.194	20	30		FDEDRO
Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Oc2cccc(OCC#N)c2)cn1	ZINC000875792834	991999083	/nfs/dbraw/zinc/99/90/83/991999083.db2.gz	ZYCOQFRCOLWHMH-ROUUACIJSA-N	1	0	354.410	1.963	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N1CCN(Cc2ccccc2OC)CC1	ZINC000875919748	992192208	/nfs/dbraw/zinc/19/22/08/992192208.db2.gz	OEZFAKOJVTYRKP-GOSISDBHSA-N	1	0	359.470	1.951	20	30		FDEDRO
COc1ccc2c(c1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)CCC2	ZINC000411400784	992387473	/nfs/dbraw/zinc/38/74/73/992387473.db2.gz	OWOFEMNGGJHMMA-UHFFFAOYSA-N	1	0	372.469	1.816	20	30		FDEDRO
N#CCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C[C@H]3CCCc4ccccc43)C2)C1	ZINC000373836481	992475337	/nfs/dbraw/zinc/47/53/37/992475337.db2.gz	LWDKOUAXFSCMPC-QZTJIDSGSA-N	1	0	353.466	1.915	20	30		FDEDRO
COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1ccc(C#N)c(Cl)n1	ZINC000876474280	992644439	/nfs/dbraw/zinc/64/44/39/992644439.db2.gz	ARHBFUVDYZIMNQ-MRXNPFEDSA-N	1	0	352.822	1.026	20	30		FDEDRO
C=C(Cl)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC(=O)N(CC(C)C)C1)C2	ZINC001095495172	992694197	/nfs/dbraw/zinc/69/41/97/992694197.db2.gz	GPKMRCLVKNUFKC-WCVJEAGWSA-N	1	0	353.894	1.965	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)CC1	ZINC000411930473	992720893	/nfs/dbraw/zinc/72/08/93/992720893.db2.gz	ZHDJAOCATFFBCK-AABGKKOBSA-N	1	0	370.497	1.487	20	30		FDEDRO
CCC(CC)C(=O)N1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876594030	992727038	/nfs/dbraw/zinc/72/70/38/992727038.db2.gz	KJOTVICIKDAPRN-LJQANCHMSA-N	1	0	368.481	1.852	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1	ZINC000876595199	992728208	/nfs/dbraw/zinc/72/82/08/992728208.db2.gz	YNFQBKUWJMFFDW-PKOBYXMFSA-N	1	0	366.465	1.510	20	30		FDEDRO
CC[NH2+][C@H](C)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1	ZINC000876605086	992735077	/nfs/dbraw/zinc/73/50/77/992735077.db2.gz	QOVHSWNXMUTPOV-WGBIJJAVSA-N	1	0	352.460	1.436	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CCC2C[NH2+]C2)cc1	ZINC000876605406	992736508	/nfs/dbraw/zinc/73/65/08/992736508.db2.gz	SONFJLWBDLQRTO-SILNSSARSA-N	1	0	364.471	1.438	20	30		FDEDRO
COC(=O)[C@@H](CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)c1ccccc1	ZINC000876685473	992794261	/nfs/dbraw/zinc/79/42/61/992794261.db2.gz	QYDMQYZBAIVBQV-RBUKOAKNSA-N	1	0	363.417	1.818	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](c1cccs1)N1CCN(C)CC1	ZINC000876779760	992905374	/nfs/dbraw/zinc/90/53/74/992905374.db2.gz	MHXDIVHJEHDVEB-KBPBESRZSA-N	1	0	356.923	1.623	20	30		FDEDRO
C=CCC[C@@H](O)C[NH+]1CCN([C@@H]2CCCN(C3CCOCC3)C2=O)CC1	ZINC000374822661	992951357	/nfs/dbraw/zinc/95/13/57/992951357.db2.gz	SUZVKEOXPPKYRH-RTBURBONSA-N	1	0	365.518	1.101	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)s1	ZINC000876986109	992996129	/nfs/dbraw/zinc/99/61/29/992996129.db2.gz	XWUPXBIDNFIONQ-BLLLJJGKSA-N	1	0	369.512	1.095	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[NH2+]C[C@@H]2C(C)C)s1	ZINC000876997919	993000495	/nfs/dbraw/zinc/00/04/95/993000495.db2.gz	JZQWTIOCVYAYHO-CQSZACIVSA-N	1	0	371.528	1.211	20	30		FDEDRO
Cn1cc(N2C(=O)C[C@@H]3[C@H]2CC[N@@H+]3Cc2ccc(OCC#N)cc2)cn1	ZINC001137116691	993083433	/nfs/dbraw/zinc/08/34/33/993083433.db2.gz	NJGKKJNYMLKZGP-QZTJIDSGSA-N	1	0	351.410	1.702	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CN(Cc2ccccc2C)CCO1	ZINC000877229445	993121972	/nfs/dbraw/zinc/12/19/72/993121972.db2.gz	MONHOXMAHCVHSI-IRXDYDNUSA-N	1	0	351.878	1.782	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)[C@@]3(C(F)(F)F)CC[NH2+]C3)CC2)cc1	ZINC000877248704	993146349	/nfs/dbraw/zinc/14/63/49/993146349.db2.gz	BYNMNNTVQDCVFJ-MRXNPFEDSA-N	1	0	352.360	1.749	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)c1cn([C@@H]3CCC[NH2+]CC3)nn1)C2	ZINC000877265270	993161531	/nfs/dbraw/zinc/16/15/31/993161531.db2.gz	BAWXMZJVIQRDQE-IAGOWNOFSA-N	1	0	350.426	1.362	20	30		FDEDRO
COc1ccccc1[C@@H](CNC(=O)[C@@H](C)n1cnc(C#N)n1)[NH+]1CCCC1	ZINC000466933058	993249241	/nfs/dbraw/zinc/24/92/41/993249241.db2.gz	FORGQCOPPSCBIB-GDBMZVCRSA-N	1	0	368.441	1.673	20	30		FDEDRO
C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@@H]2CCCCCN2CC#N)CC1	ZINC000968860909	1015771297	/nfs/dbraw/zinc/77/12/97/1015771297.db2.gz	BXIOTRVWBCLXTC-OTWHNJEPSA-N	1	0	362.518	1.618	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(CN2C(=O)CNC2=O)cc1	ZINC000877717170	993470395	/nfs/dbraw/zinc/47/03/95/993470395.db2.gz	SVGZOOBIPBPPOY-OAHLLOKOSA-N	1	0	370.453	1.927	20	30		FDEDRO
CONC(=O)C1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC000877786240	993511443	/nfs/dbraw/zinc/51/14/43/993511443.db2.gz	AZQRBTDQBTUSDF-UHFFFAOYSA-N	1	0	353.426	1.848	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)Nc1cc(Br)cn(C)c1=O	ZINC000930296115	993593528	/nfs/dbraw/zinc/59/35/28/993593528.db2.gz	QZIHVPWCAQQAEU-UHFFFAOYSA-N	1	0	355.236	1.224	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@]2(O)CCN(Cc3ccccc3)C2)CC1	ZINC000878018953	993615316	/nfs/dbraw/zinc/61/53/16/993615316.db2.gz	OJOJLZWWMTWDQZ-OAQYLSRUSA-N	1	0	355.482	1.085	20	30		FDEDRO
C=CC[C@@H](C)[NH+]1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1	ZINC000878251712	993838383	/nfs/dbraw/zinc/83/83/83/993838383.db2.gz	RDZRURVCLKTPHK-QGZVFWFLSA-N	1	0	351.516	1.856	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CCCO1	ZINC000470114872	993953545	/nfs/dbraw/zinc/95/35/45/993953545.db2.gz	YGGGTUFITZUUNT-DNVCBOLYSA-N	1	0	367.490	1.865	20	30		FDEDRO
Cc1nn(C)c(N2CC[NH+](CCc3ccc(C(N)=O)cc3)CC2)c1C#N	ZINC000878494678	993983808	/nfs/dbraw/zinc/98/38/08/993983808.db2.gz	OBJUVCGBDRYXRT-UHFFFAOYSA-N	1	0	352.442	1.064	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C2CC3(CC(NC(=O)[C@H]4C[C@H]4C(N)=O)C3)C2)s1	ZINC000965118282	1015844932	/nfs/dbraw/zinc/84/49/32/1015844932.db2.gz	BYMAKJHSWWOMDR-LWHLDKLJSA-N	1	0	358.467	1.258	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C2CC3(CC(NC(=O)[C@H]4C[C@H]4C(N)=O)C3)C2)c(F)c1	ZINC000965119804	1015846010	/nfs/dbraw/zinc/84/60/10/1015846010.db2.gz	HBMDUFZTZFLXRQ-KDFLPGDSSA-N	1	0	370.428	1.336	20	30		FDEDRO
C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C)C(=O)C(=O)OC	ZINC000777498280	994451580	/nfs/dbraw/zinc/45/15/80/994451580.db2.gz	OLVRVISRGOWUON-ZDUSSCGKSA-N	1	0	366.487	1.715	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1cc(C)ncn1)C2	ZINC000965160603	1015864419	/nfs/dbraw/zinc/86/44/19/1015864419.db2.gz	LPRYGPCYIQHTOT-INFDXNDLSA-N	1	0	356.470	1.893	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3c(c1)ncn3C)C2	ZINC001110886200	994486467	/nfs/dbraw/zinc/48/64/67/994486467.db2.gz	QHRBFCPHIGPIHE-INMHGKMJSA-N	1	0	355.442	1.506	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncc(OC(C)C)c1)C2	ZINC001110888573	994548386	/nfs/dbraw/zinc/54/83/86/994548386.db2.gz	KFDSHLLSVMEQKJ-QRQLOZEOSA-N	1	0	357.454	1.854	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)CC[C@@H]21	ZINC000879578747	995037884	/nfs/dbraw/zinc/03/78/84/995037884.db2.gz	VSGPSTYALPETQW-QAPCUYQASA-N	1	0	364.453	1.708	20	30		FDEDRO
Cc1oc(NC(=O)CN2CCC([NH+]3CCN(C)CC3)CC2)c(C#N)c1C	ZINC000879591919	995060573	/nfs/dbraw/zinc/06/05/73/995060573.db2.gz	VGOSREKLBOLBEC-UHFFFAOYSA-N	1	0	359.474	1.418	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)cc1	ZINC000879973859	995497468	/nfs/dbraw/zinc/49/74/68/995497468.db2.gz	DQVKFKSBBJAOAB-FUMNGEBKSA-N	1	0	371.481	1.723	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1=O	ZINC000925351547	995525007	/nfs/dbraw/zinc/52/50/07/995525007.db2.gz	KWDIMMPFRPBGBI-NJAFHUGGSA-N	1	0	357.454	1.878	20	30		FDEDRO
CCOC(=O)[C@@H]1CN(CC(=O)N[C@](C)(C#N)C2CC2)C[C@H]1C(F)(F)F	ZINC000880155987	995692078	/nfs/dbraw/zinc/69/20/78/995692078.db2.gz	VIDDLGOKQIARPK-LALPHHSUSA-N	1	0	361.364	1.468	20	30		FDEDRO
COCC1([N@H+](C)CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCC1	ZINC000880187472	995714350	/nfs/dbraw/zinc/71/43/50/995714350.db2.gz	HKBCYYDTKONPSF-UHFFFAOYSA-N	1	0	361.446	1.004	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)CN1CCC[C@H]([NH2+]C2CCOCC2)C1	ZINC000880201578	995719901	/nfs/dbraw/zinc/71/99/01/995719901.db2.gz	OZNVCKVOKUKWRQ-OALUTQOASA-N	1	0	359.470	1.531	20	30		FDEDRO
N#CC1(C[C@H](O)CN2CCC[C@@H]([NH2+]C3CCOCC3)C2)CCOCC1	ZINC000880201565	995720072	/nfs/dbraw/zinc/72/00/72/995720072.db2.gz	OVPGAQPXDZFARY-MSOLQXFVSA-N	1	0	351.491	1.291	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)[C@@H](O)c1ccc(C#N)cc1)C2	ZINC000926163102	995950600	/nfs/dbraw/zinc/95/06/00/995950600.db2.gz	WJDSKSFIWOZMTO-PKRADWSKSA-N	1	0	357.454	1.188	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)Cc1ccc(OCC#N)cc1)C2	ZINC000926173625	995957772	/nfs/dbraw/zinc/95/77/72/995957772.db2.gz	XJHULBKUOZYKBC-VURPSTOHSA-N	1	0	371.481	1.727	20	30		FDEDRO
C=CCNc1ncc(C(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)s1	ZINC000926195690	995974678	/nfs/dbraw/zinc/97/46/78/995974678.db2.gz	YYPVUUHEMYBZTK-HOPMXRPOSA-N	1	0	364.515	1.951	20	30		FDEDRO
CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)COc3cccc(C#N)c3)C2)[C@H]1C(C)C	ZINC000926254403	995999895	/nfs/dbraw/zinc/99/98/95/995999895.db2.gz	IROBKXJOLGNFTC-UKAVVXHISA-N	1	0	371.481	1.923	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)Cc2ncc(Br)cn2)CC1	ZINC000926987423	996393753	/nfs/dbraw/zinc/39/37/53/996393753.db2.gz	QYWKXTQUPIGDEL-UHFFFAOYSA-N	1	0	351.248	1.543	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CCn1cccn1)C2	ZINC000965425041	1016060514	/nfs/dbraw/zinc/06/05/14/1016060514.db2.gz	PZOZKEYNGSPOIL-BMTWLGCMSA-N	1	0	358.486	1.881	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1	ZINC000887040591	996862585	/nfs/dbraw/zinc/86/25/85/996862585.db2.gz	GWEOQQVTWPWTTR-HXUWFJFHSA-N	1	0	355.438	1.629	20	30		FDEDRO
C#CCC1([NH2+]CCCN2C(=O)CS/C2=C\C(=O)OC)CCOCC1	ZINC000887123292	996954287	/nfs/dbraw/zinc/95/42/87/996954287.db2.gz	ILIDPVXQPSSYSQ-QINSGFPZSA-N	1	0	352.456	1.128	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)NCCOc2ccc3c(c2)OCO3)CCOCC1	ZINC000887124490	996955061	/nfs/dbraw/zinc/95/50/61/996955061.db2.gz	GWDGBOLYOFSURB-UHFFFAOYSA-N	1	0	360.410	1.072	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1	ZINC000333392416	997212163	/nfs/dbraw/zinc/21/21/63/997212163.db2.gz	HESZDQBAWIEBEY-JFRXWTBNSA-N	1	0	360.502	1.226	20	30		FDEDRO
CCOCCC[NH+]=C(NCCC(=O)N(C)C)NCc1ccc(OC)cc1	ZINC000263940999	997362428	/nfs/dbraw/zinc/36/24/28/997362428.db2.gz	DGBGTVJYCYGIEY-UHFFFAOYSA-N	1	0	364.490	1.635	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCc2cccc(C(N)=O)c2)CC1	ZINC000264110569	997404161	/nfs/dbraw/zinc/40/41/61/997404161.db2.gz	QRLBZRCMTYMBLI-UHFFFAOYSA-N	1	0	361.446	1.153	20	30		FDEDRO
CCCOc1ccc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)cc1	ZINC000264130151	997406753	/nfs/dbraw/zinc/40/67/53/997406753.db2.gz	TUTQXOTVKFTTMX-UHFFFAOYSA-N	1	0	354.458	1.902	20	30		FDEDRO
CCOc1ccc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)cc1OC	ZINC000264125939	997407408	/nfs/dbraw/zinc/40/74/08/997407408.db2.gz	WITCZGDDUBCNGM-UHFFFAOYSA-N	1	0	370.457	1.521	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](O)c2ccccc2OC)CC1	ZINC000264135387	997411495	/nfs/dbraw/zinc/41/14/95/997411495.db2.gz	ZLYYXCCMULPPSH-HNNXBMFYSA-N	1	0	364.446	1.254	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](c2ccccc2)N(C)C)CC1	ZINC000264147161	997414656	/nfs/dbraw/zinc/41/46/56/997414656.db2.gz	YBLOQURXUSJLDE-QGZVFWFLSA-N	1	0	361.490	1.815	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1	ZINC000264451419	997515800	/nfs/dbraw/zinc/51/58/00/997515800.db2.gz	CRSVTLVXIAPILI-OIISXLGYSA-N	1	0	361.486	1.707	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)CC(=O)N1CCOCC1)C(C)C	ZINC000264799233	997614097	/nfs/dbraw/zinc/61/40/97/997614097.db2.gz	ZVMSJOPBOLVDEV-KRWDZBQOSA-N	1	0	366.506	1.185	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)CCNC(=O)C1N=CC=CC1=O)c1ccc(F)cc1	ZINC000265406210	997782930	/nfs/dbraw/zinc/78/29/30/997782930.db2.gz	KLSDYJCLLOQNED-RAJOGRCSSA-N	1	0	374.416	1.461	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cnn(CCC#N)c2C)[C@H](C)C1	ZINC000889009583	998115168	/nfs/dbraw/zinc/11/51/68/998115168.db2.gz	LSXJJNRPCSUTAN-CRAIPNDOSA-N	1	0	361.490	1.972	20	30		FDEDRO
C[C@H]1CCCN(C(=[NH2+])NCCC(=O)N2CCN(c3ccccn3)CC2)C1	ZINC000104183375	998315586	/nfs/dbraw/zinc/31/55/86/998315586.db2.gz	PTJIZLZPTROIGU-INIZCTEOSA-N	1	0	358.490	1.167	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000889773332	998637656	/nfs/dbraw/zinc/63/76/56/998637656.db2.gz	ANNGVPCBTWDGQY-RTBURBONSA-N	1	0	373.501	1.404	20	30		FDEDRO
N#Cc1ccc(CSCC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cc1	ZINC000889773763	998640077	/nfs/dbraw/zinc/64/00/77/998640077.db2.gz	DKISSQAYBDMNER-ROUUACIJSA-N	1	0	359.495	1.849	20	30		FDEDRO
C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)Nc3cccc(CC#N)n3)C2)CC1	ZINC000890042228	998790448	/nfs/dbraw/zinc/79/04/48/998790448.db2.gz	WYZGHFXTFGCDGJ-HNNXBMFYSA-N	1	0	355.442	1.276	20	30		FDEDRO
C=CCCC(C)(C)NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000890130201	998832027	/nfs/dbraw/zinc/83/20/27/998832027.db2.gz	NGKKWJINQJZZAV-KRWDZBQOSA-N	1	0	352.523	1.827	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(C(=O)c2cnn(CCC#N)c2C)CC1	ZINC000890345165	998908027	/nfs/dbraw/zinc/90/80/27/998908027.db2.gz	JAMLMPNIXVWZNQ-UHFFFAOYSA-N	1	0	354.414	1.471	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1	ZINC000890363096	998913773	/nfs/dbraw/zinc/91/37/73/998913773.db2.gz	KICWQPLQKKJRRE-VQTJNVASSA-N	1	0	370.497	1.150	20	30		FDEDRO
CSc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2CCCO)cc1C#N	ZINC000890450554	998948569	/nfs/dbraw/zinc/94/85/69/998948569.db2.gz	CVKXDXMTQZFCFO-MRXNPFEDSA-N	1	0	362.499	1.926	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(C(=O)OC3CCN(CC#N)CC3)cc2)CC1	ZINC000777328797	999013417	/nfs/dbraw/zinc/01/34/17/999013417.db2.gz	DHBXZFUHRAZDJC-UHFFFAOYSA-N	1	0	356.470	1.973	20	30		FDEDRO
Cc1nc(NC[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)ccc1C#N	ZINC001066686452	999014854	/nfs/dbraw/zinc/01/48/54/999014854.db2.gz	QVMMKAPTQNCADE-HYVNUMGLSA-N	1	0	357.458	1.241	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CC[NH+](C)C)C2	ZINC001110847142	999028201	/nfs/dbraw/zinc/02/82/01/999028201.db2.gz	JNYWQQMTCGEXHJ-NRSPTQNISA-N	1	0	369.509	1.776	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3ccsc3[nH]1)C2	ZINC001110876049	999097030	/nfs/dbraw/zinc/09/70/30/999097030.db2.gz	YAVZGWVMFMWVKD-NFAWXSAZSA-N	1	0	356.451	1.314	20	30		FDEDRO
Cc1noc(CON=C(N)CCN2CC[NH+](Cc3ccccc3)CC2)n1	ZINC000266323964	999146789	/nfs/dbraw/zinc/14/67/89/999146789.db2.gz	RVMZTAAVRBSDOL-UHFFFAOYSA-N	1	0	358.446	1.375	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(OC)ccc2OCC)CC1	ZINC000266760812	999228606	/nfs/dbraw/zinc/22/86/06/999228606.db2.gz	TXFFGEKBQDOMHY-UHFFFAOYSA-N	1	0	361.442	1.799	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)NCCN1CCC([NH+](C)C)CC1	ZINC000267303087	999306217	/nfs/dbraw/zinc/30/62/17/999306217.db2.gz	KYLXNMWHXFZJCG-UHFFFAOYSA-N	1	0	358.486	1.524	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000267394423	999326035	/nfs/dbraw/zinc/32/60/35/999326035.db2.gz	REKPGEDKLGZNJU-INIZCTEOSA-N	1	0	359.426	1.126	20	30		FDEDRO
CCN(CCC#N)C(=O)CN1CCCN(c2cc(OC)cc(OC)c2)CC1	ZINC000268255129	999435063	/nfs/dbraw/zinc/43/50/63/999435063.db2.gz	JSQQMCALRLIQFR-UHFFFAOYSA-N	1	0	374.485	1.978	20	30		FDEDRO
COC(=O)CC1([NH2+]CC(=O)N(CCC#N)c2ccccc2)CCOCC1	ZINC000269051194	999462788	/nfs/dbraw/zinc/46/27/88/999462788.db2.gz	RWJLEDWVTLZZLR-UHFFFAOYSA-N	1	0	359.426	1.635	20	30		FDEDRO
N#CCC[C@@H](NC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccccc1	ZINC000269641288	999470695	/nfs/dbraw/zinc/47/06/95/999470695.db2.gz	XLXBQIBKMRGGJN-IAGOWNOFSA-N	1	0	357.458	1.670	20	30		FDEDRO
C[NH+](C)C[C@H](NC(=O)C(=O)N1CCc2ccc(C#N)cc21)c1ccccc1	ZINC000270177341	999521363	/nfs/dbraw/zinc/52/13/63/999521363.db2.gz	LIAXLXOHOJKVES-SFHVURJKSA-N	1	0	362.433	1.866	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)nn1CCC#N	ZINC000271094374	999660091	/nfs/dbraw/zinc/66/00/91/999660091.db2.gz	VWIOUPMVZDWOKS-UONOGXRCSA-N	1	0	360.462	1.280	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)nn1CCC#N	ZINC000271094362	999660168	/nfs/dbraw/zinc/66/01/68/999660168.db2.gz	VVQGIQNRVNHFLH-SOUVJXGZSA-N	1	0	374.489	1.526	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)nn1CCC#N	ZINC000271099919	999661220	/nfs/dbraw/zinc/66/12/20/999661220.db2.gz	XPNKMAIGAXDNCM-INIZCTEOSA-N	1	0	372.473	1.521	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1	ZINC000283789355	999761691	/nfs/dbraw/zinc/76/16/91/999761691.db2.gz	FGMARRBBRNVVQP-INIZCTEOSA-N	1	0	359.470	1.716	20	30		FDEDRO
COC(=O)c1cn(CCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)nn1	ZINC000283866046	999762752	/nfs/dbraw/zinc/76/27/52/999762752.db2.gz	GKZHMFLOCXVULL-UHFFFAOYSA-N	1	0	372.307	1.390	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NCc1cccc(C#N)c1)C(C)C	ZINC000284114617	999777141	/nfs/dbraw/zinc/77/71/41/999777141.db2.gz	UVNLNDLKUWPIDD-LJQANCHMSA-N	1	0	368.481	1.989	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1	ZINC000284110818	999777178	/nfs/dbraw/zinc/77/71/78/999777178.db2.gz	PCHBDUWQWLPWCL-UHFFFAOYSA-N	1	0	372.513	1.658	20	30		FDEDRO
CC[C@@H](COC)NC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000284289928	999799075	/nfs/dbraw/zinc/79/90/75/999799075.db2.gz	XHNRNZLMISLRJJ-SFHVURJKSA-N	1	0	372.469	1.134	20	30		FDEDRO
C=CCCCNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000284362669	999816139	/nfs/dbraw/zinc/81/61/39/999816139.db2.gz	UJMZPKDXWPJFLC-UHFFFAOYSA-N	1	0	358.486	1.397	20	30		FDEDRO
COCCCOc1ccc(CNC(=[NH2+])NCCCN2CCOCC2)cc1	ZINC000285002903	999892909	/nfs/dbraw/zinc/89/29/09/999892909.db2.gz	ICKUWMKBPAYKBK-UHFFFAOYSA-N	1	0	364.490	1.229	20	30		FDEDRO
COC(=O)CCN1CCN(C(=O)NCCc2cccc(C#N)c2)[C@H](C)C1	ZINC000466810862	999937974	/nfs/dbraw/zinc/93/79/74/999937974.db2.gz	BVBDIRILAYFQOK-OAHLLOKOSA-N	1	0	358.442	1.380	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)N2CCc3ccccc32)CC1	ZINC000286160597	999942654	/nfs/dbraw/zinc/94/26/54/999942654.db2.gz	QGRRKMFJBLCYRX-MRXNPFEDSA-N	1	0	370.497	1.320	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3ccc(C)cc3)CC2)CC1	ZINC000286444152	999944458	/nfs/dbraw/zinc/94/44/58/999944458.db2.gz	HEHHMVUJMFFWKI-UHFFFAOYSA-N	1	0	370.497	1.410	20	30		FDEDRO
C=CCC[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1)c1ccccc1	ZINC000286629267	999945508	/nfs/dbraw/zinc/94/55/08/999945508.db2.gz	PUOPCNWAKBWQPN-QZTJIDSGSA-N	1	0	359.470	1.647	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NCCCCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000286680280	999945925	/nfs/dbraw/zinc/94/59/25/999945925.db2.gz	IPTYCOOXJBOGKV-FUHWJXTLSA-N	1	0	356.470	1.823	20	30		FDEDRO
C=CCC[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)c1ccccc1	ZINC000286800352	999950907	/nfs/dbraw/zinc/95/09/07/999950907.db2.gz	AMYPDFQIXNHHDQ-MSOLQXFVSA-N	1	0	358.486	1.172	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1	ZINC000287054946	999954373	/nfs/dbraw/zinc/95/43/73/999954373.db2.gz	WUQWPFRLXDMBBR-UHFFFAOYSA-N	1	0	362.449	1.228	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1	ZINC000287388906	999957213	/nfs/dbraw/zinc/95/72/13/999957213.db2.gz	OZIQLIBOZKXBIW-SJORKVTESA-N	1	0	359.470	1.857	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C	ZINC000288136392	999989996	/nfs/dbraw/zinc/98/99/96/999989996.db2.gz	OIINSPRSCSQSRG-ZBFHGGJFSA-N	1	0	373.428	1.861	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)n1	ZINC000288229223	999999020	/nfs/dbraw/zinc/99/90/20/999999020.db2.gz	RTSHAIZSSRBGCR-AWEZNQCLSA-N	1	0	373.486	1.423	20	30		FDEDRO
CC(C)C[C@H](NC(=O)NCCc1cccc(C#N)c1)C(=O)NCC[NH+](C)C	ZINC000466822604	1000054929	/nfs/dbraw/zinc/05/49/29/1000054929.db2.gz	NFCVDCVYNQSHOJ-SFHVURJKSA-N	1	0	373.501	1.492	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1	ZINC000288884194	1000056054	/nfs/dbraw/zinc/05/60/54/1000056054.db2.gz	HZHPMRRWYAACKK-RDJZCZTQSA-N	1	0	371.481	1.951	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C	ZINC000288990531	1000066478	/nfs/dbraw/zinc/06/64/78/1000066478.db2.gz	LIFHWOYBSMANQR-HZPDHXFCSA-N	1	0	355.438	1.722	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000289332412	1000091278	/nfs/dbraw/zinc/09/12/78/1000091278.db2.gz	CZHNXABENCMVSF-IBGZPJMESA-N	1	0	373.497	1.676	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@](CO)(Cc3ccc(F)cc3)C2)CC1	ZINC000290714192	1000154316	/nfs/dbraw/zinc/15/43/16/1000154316.db2.gz	RIDBUCLWILYPRG-OAQYLSRUSA-N	1	0	358.457	1.924	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2cc(C)nc(N3CCCC3)n2)CC1	ZINC000291612385	1000192656	/nfs/dbraw/zinc/19/26/56/1000192656.db2.gz	AFJVYYXPSPYLAI-UHFFFAOYSA-N	1	0	358.490	1.835	20	30		FDEDRO
C[C@H](NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)C1=CC[N@H+](C)CC1	ZINC000292386257	1000236036	/nfs/dbraw/zinc/23/60/36/1000236036.db2.gz	RXACKUWAFUJVAK-YOEHRIQHSA-N	1	0	355.442	1.766	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CCN(C(=O)NCC3CC[NH+](C4CC4)CC3)C2)nc1	ZINC000292578195	1000243618	/nfs/dbraw/zinc/24/36/18/1000243618.db2.gz	JDIREYUQJIMPTQ-SFHVURJKSA-N	1	0	369.469	1.990	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc21	ZINC000927803221	1001063320	/nfs/dbraw/zinc/06/33/20/1001063320.db2.gz	NYQIMRDCCPHTTI-VNQPRFMTSA-N	1	0	367.453	1.665	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1	ZINC000927849773	1001116633	/nfs/dbraw/zinc/11/66/33/1001116633.db2.gz	WFSYJTJUZVAPDO-KGLIPLIRSA-N	1	0	369.343	1.375	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1	ZINC000927850007	1001117444	/nfs/dbraw/zinc/11/74/44/1001117444.db2.gz	YDPDMKUCHKQCLX-VXGBXAGGSA-N	1	0	354.332	1.543	20	30		FDEDRO
C[NH2+]CCN(C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C(C)C	ZINC000927862479	1001141499	/nfs/dbraw/zinc/14/14/99/1001141499.db2.gz	BYSUKBCFHQPGBQ-UHFFFAOYSA-N	1	0	356.348	1.972	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)cc1C(F)(F)F	ZINC000927885243	1001180291	/nfs/dbraw/zinc/18/02/91/1001180291.db2.gz	DEWNXZVZBOVGSZ-JTQLQIEISA-N	1	0	354.332	1.713	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CC[C@H](C[NH3+])[C@@H](C)C3)cc21	ZINC000927894102	1001197228	/nfs/dbraw/zinc/19/72/28/1001197228.db2.gz	ZYFHULLMWJGSCP-UONOGXRCSA-N	1	0	355.442	1.604	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12	ZINC000928099753	1001375922	/nfs/dbraw/zinc/37/59/22/1001375922.db2.gz	UIIUHUZTVMALIE-IRXDYDNUSA-N	1	0	374.510	1.904	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CCC(=O)N(c3cccc(F)c3)C2)CC1	ZINC000928648086	1001606335	/nfs/dbraw/zinc/60/63/35/1001606335.db2.gz	FUCAYINCAPGAQA-OAHLLOKOSA-N	1	0	357.429	1.783	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C[C@H](C)n2cc(Br)cn2)CC1	ZINC000928649341	1001607327	/nfs/dbraw/zinc/60/73/27/1001607327.db2.gz	HRIRIMKZXBUODH-LBPRGKRZSA-N	1	0	353.264	1.811	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@]2(Cc3ccccc3)CCN(C)C2=O)CC1	ZINC000928650109	1001607793	/nfs/dbraw/zinc/60/77/93/1001607793.db2.gz	YDUVAPZMLPLBMJ-OAQYLSRUSA-N	1	0	353.466	1.291	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C=CC(=O)Nc2ccc3n[nH]cc3c2)CC1	ZINC000928655411	1001611061	/nfs/dbraw/zinc/61/10/61/1001611061.db2.gz	WIKUKBDSVLGPRW-AATRIKPKSA-N	1	0	351.410	1.271	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccc(S[C@@H]3CCOC3=O)cc2)CC1	ZINC000928655535	1001611625	/nfs/dbraw/zinc/61/16/25/1001611625.db2.gz	YQJHJYCBQVMORZ-QGZVFWFLSA-N	1	0	358.463	1.922	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C[C@H](NC(C)=O)c2ccc(F)cc2F)CC1	ZINC000928655833	1001611743	/nfs/dbraw/zinc/61/17/43/1001611743.db2.gz	ZUAHXBLQTARURV-SFHVURJKSA-N	1	0	363.408	1.746	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C	ZINC000929143066	1001770823	/nfs/dbraw/zinc/77/08/23/1001770823.db2.gz	JRCCMCIEDBVSOC-KRWDZBQOSA-N	1	0	370.478	1.997	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNS(=O)(=O)CC	ZINC001110964241	1001824828	/nfs/dbraw/zinc/82/48/28/1001824828.db2.gz	APYNQKJERJGGKE-OAGGEKHMSA-N	1	0	357.520	1.394	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[N@@H+]2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)cc1	ZINC000929356697	1001964919	/nfs/dbraw/zinc/96/49/19/1001964919.db2.gz	ZBIQWAIHZWHRGH-WMZOPIPTSA-N	1	0	371.481	1.860	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC000948205438	1002176445	/nfs/dbraw/zinc/17/64/45/1002176445.db2.gz	ZLYVZKQOFQJNLQ-ZTFGCOKTSA-N	1	0	371.485	1.726	20	30		FDEDRO
CCC[NH+]1CCC(CNC(=O)C(=O)NCc2ccc(C)c(C#N)c2)CC1	ZINC000929644249	1002303375	/nfs/dbraw/zinc/30/33/75/1002303375.db2.gz	PRSNKLTWWAVZAJ-UHFFFAOYSA-N	1	0	356.470	1.721	20	30		FDEDRO
C#CCN(C(=O)C(=O)NC[C@H](C)c1ccc(F)cc1)C1CC[NH+](C)CC1	ZINC000929713005	1002370210	/nfs/dbraw/zinc/37/02/10/1002370210.db2.gz	ZKICZGXSCKLNKL-HNNXBMFYSA-N	1	0	359.445	1.601	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2	ZINC001111275380	1002396283	/nfs/dbraw/zinc/39/62/83/1002396283.db2.gz	UNOMVFWOWPPQEE-MANSERQUSA-N	1	0	374.529	1.250	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CSC)C1	ZINC001111580385	1002414446	/nfs/dbraw/zinc/41/44/46/1002414446.db2.gz	UDWJNYSUDVDUBR-YJBOKZPZSA-N	1	0	353.532	1.745	20	30		FDEDRO
CC1([NH+]2CCC2)CCC(NC(=O)C(=O)NCc2ccc(C#N)cc2F)CC1	ZINC000929927149	1002606749	/nfs/dbraw/zinc/60/67/49/1002606749.db2.gz	QBTNFIHYBWNTIQ-UHFFFAOYSA-N	1	0	372.444	1.837	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CC(=O)N(C)C2CC2)CC1	ZINC000948785224	1002689450	/nfs/dbraw/zinc/68/94/50/1002689450.db2.gz	DGUCXLHESNOUNX-NXHRZFHOSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(Cc2ccccn2)CC(C)C)CC1	ZINC000930006002	1002728485	/nfs/dbraw/zinc/72/84/85/1002728485.db2.gz	AAMPMDISRKKEAB-UHFFFAOYSA-N	1	0	358.486	1.833	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](C3CCOCC3)C2)CC1	ZINC000930006916	1002729621	/nfs/dbraw/zinc/72/96/21/1002729621.db2.gz	IKEILOPBWWSEDL-KRWDZBQOSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2	ZINC001110979756	1002742729	/nfs/dbraw/zinc/74/27/29/1002742729.db2.gz	BVPNIUDYAMZBPP-MLHJIOFPSA-N	1	0	364.534	1.473	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CC(=O)N(C)C)CC1	ZINC000948852124	1002758605	/nfs/dbraw/zinc/75/86/05/1002758605.db2.gz	HZEQTLKSIJMZQG-BQFCYCMXSA-N	1	0	351.491	1.369	20	30		FDEDRO
C#CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1C[C@@H](C)CC(=O)N1	ZINC000948919460	1002817630	/nfs/dbraw/zinc/81/76/30/1002817630.db2.gz	IGXIMQDAPFVYNX-ATZDWAIDSA-N	1	0	353.466	1.640	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H](CC=C)c1ccncc1)C1CC[NH+](C)CC1	ZINC000930121939	1002841439	/nfs/dbraw/zinc/84/14/39/1002841439.db2.gz	KXGNQSXKMBTKGC-SFHVURJKSA-N	1	0	354.454	1.371	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1	ZINC000948986410	1002907722	/nfs/dbraw/zinc/90/77/22/1002907722.db2.gz	WNFICPQVPAFTEZ-ZTFGCOKTSA-N	1	0	371.485	1.726	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccccc2SCCC(N)=O)CC1	ZINC000930198309	1002918964	/nfs/dbraw/zinc/91/89/64/1002918964.db2.gz	JQEIFAIARROOJJ-UHFFFAOYSA-N	1	0	360.483	1.873	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H]1CCc2ccccc2OC1)C1CC[NH+](C)CC1	ZINC000930251194	1002971113	/nfs/dbraw/zinc/97/11/13/1002971113.db2.gz	QDRNUFAYQNRPOI-KRWDZBQOSA-N	1	0	369.465	1.052	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[N@@H+]2C[C@H]3COCC[C@@]3(C(=O)OC)C2)cc1	ZINC000930288018	1002998755	/nfs/dbraw/zinc/99/87/55/1002998755.db2.gz	KJVSMBUPBLUYGS-OXJNMPFZSA-N	1	0	356.422	1.508	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)C[N@H+](C[C@H]1CCOC1)CCO2	ZINC000949476971	1003379471	/nfs/dbraw/zinc/37/94/71/1003379471.db2.gz	MFGYDLXPGANVFF-KURKYZTESA-N	1	0	364.486	1.307	20	30		FDEDRO
C#CCN(C(=O)C(=O)NC[C@@H]1CCCC(F)(F)C1)C1CC[NH+](C)CC1	ZINC000930677986	1003389249	/nfs/dbraw/zinc/38/92/49/1003389249.db2.gz	ZVRRTXRYTUINHN-CQSZACIVSA-N	1	0	355.429	1.484	20	30		FDEDRO
COC(=O)c1cc(NC(=O)NCC#CC[NH+](C)C)ccc1Br	ZINC000930701947	1003414903	/nfs/dbraw/zinc/41/49/03/1003414903.db2.gz	XDGORTRAHKNXDA-UHFFFAOYSA-N	1	0	368.231	1.922	20	30		FDEDRO
C[C@@H]1C[NH+](CCOCCN2C(=O)c3ccccc3C2=O)C[C@@H](C)N1CC#N	ZINC000930828216	1003555745	/nfs/dbraw/zinc/55/57/45/1003555745.db2.gz	IWAPFQLIWKBTLH-HZPDHXFCSA-N	1	0	370.453	1.217	20	30		FDEDRO
C#CCN(C(=O)C(=O)NC[C@H]1CC12CCSCC2)C1CC[NH+](C)CC1	ZINC000930877990	1003622957	/nfs/dbraw/zinc/62/29/57/1003622957.db2.gz	XRAQAIZWAVIRPS-OAHLLOKOSA-N	1	0	363.527	1.192	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCO[C@H]2CCOC2)cn1	ZINC001111295549	1003723745	/nfs/dbraw/zinc/72/37/45/1003723745.db2.gz	UQHWFOFBCGOYJX-WCIQWLHISA-N	1	0	369.465	1.594	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1	ZINC000949878222	1003768746	/nfs/dbraw/zinc/76/87/46/1003768746.db2.gz	RDQYRKMEVIARQL-XYPHTWIQSA-N	1	0	357.458	1.337	20	30		FDEDRO
C[C@@H](CCC#N)[NH+]1CCN(CCNS(=O)(=O)c2ccccc2)CC1	ZINC000931128808	1003909479	/nfs/dbraw/zinc/90/94/79/1003909479.db2.gz	FDRHHMZVXKTAJN-INIZCTEOSA-N	1	0	350.488	1.275	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](CS(=O)(=O)NC)C2)cc1	ZINC000931339560	1004070814	/nfs/dbraw/zinc/07/08/14/1004070814.db2.gz	YEYHVIRINOZPBQ-MRXNPFEDSA-N	1	0	363.483	1.258	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000966560173	1016860935	/nfs/dbraw/zinc/86/09/35/1016860935.db2.gz	CCDCPSLDNLSMAN-IIDMSEBBSA-N	1	0	371.485	1.537	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCc2cc(C#N)ccc2F)C1	ZINC000931594090	1004297854	/nfs/dbraw/zinc/29/78/54/1004297854.db2.gz	HEEVWHOAAHTRDG-OAHLLOKOSA-N	1	0	360.433	1.408	20	30		FDEDRO
COc1ccccc1C[C@](C)(CO)[NH2+]CC(=O)NCc1cccc(C#N)c1	ZINC000931603499	1004306818	/nfs/dbraw/zinc/30/68/18/1004306818.db2.gz	QSENJGHBINUSAM-OAQYLSRUSA-N	1	0	367.449	1.766	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1	ZINC000947073619	1004598085	/nfs/dbraw/zinc/59/80/85/1004598085.db2.gz	XFFNULSDCGDEFC-SQNIBIBYSA-N	1	0	363.502	1.415	20	30		FDEDRO
O=C(CN1CC[C@]2(CC(F)(F)C2(F)F)C1)NC(=O)NCC(F)(F)F	ZINC000931918895	1004606045	/nfs/dbraw/zinc/60/60/45/1004606045.db2.gz	ILLCEXPFTPFHNF-VIFPVBQESA-N	1	0	365.249	1.741	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1	ZINC000932216640	1004834684	/nfs/dbraw/zinc/83/46/84/1004834684.db2.gz	ZHBOBJQCOPIUCG-SFHVURJKSA-N	1	0	353.466	1.800	20	30		FDEDRO
COc1ccc(NC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1C#N	ZINC000932227669	1004840963	/nfs/dbraw/zinc/84/09/63/1004840963.db2.gz	NWJHSPDMMDWVRN-QGZVFWFLSA-N	1	0	357.458	1.811	20	30		FDEDRO
Cc1nc(CC2CC[NH+](C[C@@H](O)COc3ccccc3C#N)CC2)no1	ZINC000932241806	1004848704	/nfs/dbraw/zinc/84/87/04/1004848704.db2.gz	NQJLXLQYLHNEPP-QGZVFWFLSA-N	1	0	356.426	1.944	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1C#N	ZINC000932476923	1004979297	/nfs/dbraw/zinc/97/92/97/1004979297.db2.gz	OOYGMFWPNCWLGN-IBGZPJMESA-N	1	0	368.481	1.960	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC([C@H]4COC(=O)N4)CC3)C2=O)cc1	ZINC000932778577	1005166541	/nfs/dbraw/zinc/16/65/41/1005166541.db2.gz	WSCHRBHPRQAVJX-QZTJIDSGSA-N	1	0	368.437	1.874	20	30		FDEDRO
C[C@@H]1CN(C(=O)N[C@@H](CC#N)C(F)(F)F)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000932909449	1005239522	/nfs/dbraw/zinc/23/95/22/1005239522.db2.gz	FHWKRDAAYRQTMG-RDBSUJKOSA-N	1	0	361.412	1.498	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H](CC#N)C(F)(F)F	ZINC000932915808	1005242980	/nfs/dbraw/zinc/24/29/80/1005242980.db2.gz	HIYKOZLDHOVYAI-NWDGAFQWSA-N	1	0	363.384	1.073	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)N[C@@H]([C@@H]1CCOC1)C(F)(F)F	ZINC000933009594	1005314286	/nfs/dbraw/zinc/31/42/86/1005314286.db2.gz	IMFRYNJZACDHNY-OLZOCXBDSA-N	1	0	350.385	1.831	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)N[C@H](C)CN3CC[NH+](C)CC3)cc21	ZINC000933065971	1005340219	/nfs/dbraw/zinc/34/02/19/1005340219.db2.gz	MHWCQGLZVHNELP-OAHLLOKOSA-N	1	0	356.474	1.980	20	30		FDEDRO
CC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1	ZINC001111050786	1005504122	/nfs/dbraw/zinc/50/41/22/1005504122.db2.gz	UNJAPTHTMDKIOS-MKXGPGLRSA-N	1	0	354.454	1.694	20	30		FDEDRO
COC(=O)[C@@H]1CC[N@H+](C[C@H](O)CC2(C#N)CCC2)[C@@H]([C@H]2CCCO2)C1	ZINC000933188931	1005512204	/nfs/dbraw/zinc/51/22/04/1005512204.db2.gz	VBUUGVPYQJRBIL-QBPKDAKJSA-N	1	0	350.459	1.864	20	30		FDEDRO
CCC1(CC)CNC(=O)[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000933289604	1005533929	/nfs/dbraw/zinc/53/39/29/1005533929.db2.gz	QBJFWZXBTLWVEA-SJORKVTESA-N	1	0	354.454	1.948	20	30		FDEDRO
CCC1(CC)CNC(=O)[C@@H]1[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000933289602	1005534067	/nfs/dbraw/zinc/53/40/67/1005534067.db2.gz	QBJFWZXBTLWVEA-IRXDYDNUSA-N	1	0	354.454	1.948	20	30		FDEDRO
C#CCC1([NH2+]CC2=C(C(=O)OCC)[C@@H](c3ccco3)NC(=O)N2)CCC1	ZINC000933298716	1005535372	/nfs/dbraw/zinc/53/53/72/1005535372.db2.gz	HNLQFFJTYAZFOO-MRXNPFEDSA-N	1	0	357.410	1.986	20	30		FDEDRO
COc1ccc(C[C@](C)(CO)[NH2+]CC(=O)NC2(C#N)CCCCC2)cc1	ZINC000933424275	1005555558	/nfs/dbraw/zinc/55/55/58/1005555558.db2.gz	HCPIGPUDPUGWKS-LJQANCHMSA-N	1	0	359.470	1.921	20	30		FDEDRO
CN1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@H+](C)CC1	ZINC000933993532	1005674493	/nfs/dbraw/zinc/67/44/93/1005674493.db2.gz	WSDJGBLVRPLDBM-LJQANCHMSA-N	1	0	355.486	1.233	20	30		FDEDRO
N#Cc1cccc(-c2nnc(CN3CC[C@@H]4[C@@H]3CCC[N@H+]4CCO)o2)c1	ZINC000934257945	1005722972	/nfs/dbraw/zinc/72/29/72/1005722972.db2.gz	DHSWRFIUNZNLSM-DLBZAZTESA-N	1	0	353.426	1.639	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[NH2+][C@H]1CCOC12CCOCC2	ZINC000934400078	1005740556	/nfs/dbraw/zinc/74/05/56/1005740556.db2.gz	SIGHIUSJYHSSBX-KRWDZBQOSA-N	1	0	354.406	1.214	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H](c2ccncc2)C2CC2)CC1	ZINC000934698595	1005780890	/nfs/dbraw/zinc/78/08/90/1005780890.db2.gz	NTAGINZIELOFBC-ICSRJNTNSA-N	1	0	355.486	1.815	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH+]1CCC(CN=[S@@](C)(=O)N(C)C)CC1	ZINC000934760218	1005795560	/nfs/dbraw/zinc/79/55/60/1005795560.db2.gz	ZCQOYIUIQYLLQN-XMMPIXPASA-N	1	0	358.552	1.697	20	30		FDEDRO
COc1cc(C#N)ccc1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1	ZINC000935157617	1005858741	/nfs/dbraw/zinc/85/87/41/1005858741.db2.gz	SYTXCUAWWKZRPG-MAUKXSAKSA-N	1	0	356.470	1.665	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cn1	ZINC000954119625	1005977532	/nfs/dbraw/zinc/97/75/32/1005977532.db2.gz	AGAPKPUMCZQMIH-DNVCBOLYSA-N	1	0	368.481	1.466	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO	ZINC001111121260	1006300429	/nfs/dbraw/zinc/30/04/29/1006300429.db2.gz	WEQFSZZSMZTMCJ-WKULXVSPSA-N	1	0	352.475	1.088	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)CC1CCCC1)C2	ZINC001111145826	1006444741	/nfs/dbraw/zinc/44/47/41/1006444741.db2.gz	YNLPEEYRYJKJPK-KURKYZTESA-N	1	0	363.502	1.607	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000954408408	1006737951	/nfs/dbraw/zinc/73/79/51/1006737951.db2.gz	CTDRVHCKMFRVSW-DNVCBOLYSA-N	1	0	369.465	1.322	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(c3ccccc3F)CC1)C2	ZINC001111218835	1006935846	/nfs/dbraw/zinc/93/58/46/1006935846.db2.gz	ULUJVYYWEIAHHO-OLMNPRSZSA-N	1	0	371.456	1.881	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1CNC(=O)NCc1ccc(C#N)cn1	ZINC000780360082	1006973629	/nfs/dbraw/zinc/97/36/29/1006973629.db2.gz	PLRWQTWPVXQUHQ-UHFFFAOYSA-N	1	0	353.426	1.893	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCS(=O)(=O)C(C)C	ZINC001111487318	1006974509	/nfs/dbraw/zinc/97/45/09/1006974509.db2.gz	IZHRLSZERLYRNW-ZACQAIPSSA-N	1	0	372.531	1.514	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(C)C(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000954774685	1007016646	/nfs/dbraw/zinc/01/66/46/1007016646.db2.gz	NWPJLZPUFVSYGV-ROUUACIJSA-N	1	0	368.437	1.598	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000641672069	1007106521	/nfs/dbraw/zinc/10/65/21/1007106521.db2.gz	ZPSDZRKFHADHLD-QGZVFWFLSA-N	1	0	374.485	1.173	20	30		FDEDRO
C=CCNC(=O)c1ccc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)nc1	ZINC000641719464	1007117309	/nfs/dbraw/zinc/11/73/09/1007117309.db2.gz	SLHNEXHUNDYTKI-SFHVURJKSA-N	1	0	373.501	1.206	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1	ZINC000954953149	1007150707	/nfs/dbraw/zinc/15/07/07/1007150707.db2.gz	WGIOEHFWCDVCLE-SJORKVTESA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C1	ZINC000955364459	1007384882	/nfs/dbraw/zinc/38/48/82/1007384882.db2.gz	GXLPMVSRNZAQIE-MOPGFXCFSA-N	1	0	371.481	1.622	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3c3ccco3)C2)CC1	ZINC000955417770	1007474461	/nfs/dbraw/zinc/47/44/61/1007474461.db2.gz	ZGTVANBOSFYGGD-QZTJIDSGSA-N	1	0	369.465	1.398	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(Cc2ccc(O[C@@H](C)C#N)cc2)CC1	ZINC000093045514	1007510790	/nfs/dbraw/zinc/51/07/90/1007510790.db2.gz	QIICKABGOOIPTH-KRWDZBQOSA-N	1	0	358.486	1.963	20	30		FDEDRO
Cc1cc(NC(=O)NCC#CCO)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1	ZINC000639856691	1007599470	/nfs/dbraw/zinc/59/94/70/1007599470.db2.gz	JLGXMFAPQXMMJR-GOSISDBHSA-N	1	0	367.453	1.756	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1	ZINC000947513008	1007664697	/nfs/dbraw/zinc/66/46/97/1007664697.db2.gz	CXIFBDIYFUFIHW-IRXDYDNUSA-N	1	0	361.486	1.171	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC000956038330	1007804237	/nfs/dbraw/zinc/80/42/37/1007804237.db2.gz	DLAQNALAIWMQEL-YQQAZPJKSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)C2CC[NH+](C)CC2)C1	ZINC000957166212	1007926198	/nfs/dbraw/zinc/92/61/98/1007926198.db2.gz	JTWBSVNZGVYRHP-FUHIMQAGSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000956322829	1008023309	/nfs/dbraw/zinc/02/33/09/1008023309.db2.gz	PCWYGBSFFZQGFO-IKGGRYGDSA-N	1	0	363.502	1.559	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC(C)(NC(=O)c3ccc(C#N)[nH]3)CC2)CC[N@@H+]1C	ZINC000956340296	1008034976	/nfs/dbraw/zinc/03/49/76/1008034976.db2.gz	ASNVAHOUHNPLNY-UKRRQHHQSA-N	1	0	357.458	1.337	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@]2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC000957251723	1008038722	/nfs/dbraw/zinc/03/87/22/1008038722.db2.gz	JKMWKGZWECGKMF-KKVAFCGZSA-N	1	0	354.454	1.124	20	30		FDEDRO
CC[N@H+](CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C[C@@H](C)C#N	ZINC000795878485	1008302877	/nfs/dbraw/zinc/30/28/77/1008302877.db2.gz	ASZIBGIZICRPIE-HNNXBMFYSA-N	1	0	352.479	1.937	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C	ZINC000949947430	1008550086	/nfs/dbraw/zinc/55/00/86/1008550086.db2.gz	MZZGLPXPCWPBFJ-VQHPVUNQSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1cnns1	ZINC000960010276	1009306051	/nfs/dbraw/zinc/30/60/51/1009306051.db2.gz	ITMPKAHANDNFMC-IMJJTQAJSA-N	1	0	350.488	1.990	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1	ZINC000646951744	1009326642	/nfs/dbraw/zinc/32/66/42/1009326642.db2.gz	LWKPNAKXHFILMR-SFHVURJKSA-N	1	0	357.454	1.154	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2ccc(C)cc2)C1	ZINC000950648619	1009468544	/nfs/dbraw/zinc/46/85/44/1009468544.db2.gz	UYWNZVFKZCXUBO-RLLQIKCJSA-N	1	0	367.493	1.598	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(-c2nc([C@@H]3CCC[NH2+]3)no2)ccc1F	ZINC000647153023	1009513401	/nfs/dbraw/zinc/51/34/01/1009513401.db2.gz	RPFPHBBZKRKOMS-LBPRGKRZSA-N	1	0	352.391	1.765	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(Cl)nn(C)c1C)C2	ZINC001111327249	1009631832	/nfs/dbraw/zinc/63/18/32/1009631832.db2.gz	QLKCIYVEMGVABS-MCIONIFRSA-N	1	0	352.866	1.920	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@]1(C)CCS(=O)(=O)N1)C2	ZINC001111325565	1009639265	/nfs/dbraw/zinc/63/92/65/1009639265.db2.gz	JTHOTKULCJDKOY-AIANPOQGSA-N	1	0	355.504	1.146	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNS(=O)(=O)CCCC)C2	ZINC001111327585	1009649444	/nfs/dbraw/zinc/64/94/44/1009649444.db2.gz	IQYDHBFTURACQS-OAGGEKHMSA-N	1	0	357.520	1.394	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3s2)CC1	ZINC000779519284	1009674738	/nfs/dbraw/zinc/67/47/38/1009674738.db2.gz	JTHVKQXXQXVWKD-DLBZAZTESA-N	1	0	373.478	1.295	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=[NH2+])NCc2ccc(OC)c(OC)c2)c1	ZINC000303889625	1009676570	/nfs/dbraw/zinc/67/65/70/1009676570.db2.gz	PPLHDSKYFIIHDO-UHFFFAOYSA-N	1	0	366.421	1.728	20	30		FDEDRO
CNC(=O)c1cccc(CNC(=[NH2+])NCc2ccc(OC)c(OC)c2)c1	ZINC000303893723	1009679397	/nfs/dbraw/zinc/67/93/97/1009679397.db2.gz	OKCVFMCYDICRQR-UHFFFAOYSA-N	1	0	356.426	1.668	20	30		FDEDRO
CCNC(=O)COc1ccc(CNC(=[NH2+])N2CCC[C@H](C)C2)cc1OC	ZINC000303907784	1009688608	/nfs/dbraw/zinc/68/86/08/1009688608.db2.gz	XBHXAQNHWQAENZ-AWEZNQCLSA-N	1	0	362.474	1.757	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCn1cccn1	ZINC000960315505	1009969501	/nfs/dbraw/zinc/96/95/01/1009969501.db2.gz	SCNNXDFZTPKUSJ-YSTOQKLRSA-N	1	0	366.465	1.846	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3OCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]3C2)cc1	ZINC000960572357	1010398937	/nfs/dbraw/zinc/39/89/37/1010398937.db2.gz	IOUDEJBHAJRAQM-CEXWTWQISA-N	1	0	369.465	1.060	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1	ZINC000951084988	1010437508	/nfs/dbraw/zinc/43/75/08/1010437508.db2.gz	VILKROCGMIKZLT-KURKYZTESA-N	1	0	368.437	1.646	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N	ZINC000304808831	1010498255	/nfs/dbraw/zinc/49/82/55/1010498255.db2.gz	UZQBXHNAQVNUCO-LBPRGKRZSA-N	1	0	373.436	1.337	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2	ZINC000951195010	1010559676	/nfs/dbraw/zinc/55/96/76/1010559676.db2.gz	OWISEUSTHGQFRE-BBWFWOEESA-N	1	0	361.486	1.313	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1NC(=O)NC1=O)C2	ZINC001111374557	1010852455	/nfs/dbraw/zinc/85/24/55/1010852455.db2.gz	RFOFWKOZSLWJNX-FPCVCCKLSA-N	1	0	364.490	1.667	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1	ZINC001006484037	1011181275	/nfs/dbraw/zinc/18/12/75/1011181275.db2.gz	HDHVOQLZKKVBID-XWIAVFTESA-N	1	0	368.437	1.502	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccc(C[NH+](C)C)cc1	ZINC000952173046	1011361760	/nfs/dbraw/zinc/36/17/60/1011361760.db2.gz	LPLSDFITDLYXAY-OTWHNJEPSA-N	1	0	371.481	1.670	20	30		FDEDRO
C=C1CCC(C(=O)N2CCO[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]32)CC1	ZINC000960907297	1011662685	/nfs/dbraw/zinc/66/26/85/1011662685.db2.gz	SLTCHFGNDDEPKY-ZWKOTPCHSA-N	1	0	361.486	1.267	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC000952724016	1011959228	/nfs/dbraw/zinc/95/92/28/1011959228.db2.gz	AWBXHLDFRPOTOY-NKGKWGDASA-N	1	0	369.469	1.432	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)C1	ZINC000952805192	1012052907	/nfs/dbraw/zinc/05/29/07/1012052907.db2.gz	HIDUBSPOXNIGJV-AVEIZBFRSA-N	1	0	361.486	1.121	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2cnnn2C)C1	ZINC001017226642	1012230718	/nfs/dbraw/zinc/23/07/18/1012230718.db2.gz	LMCRKPDZJJRQKQ-SZMVWBNQSA-N	1	0	361.490	1.467	20	30		FDEDRO
C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1	ZINC000961378993	1012305764	/nfs/dbraw/zinc/30/57/64/1012305764.db2.gz	PLWNRVFSQSQSFS-MISYRCLQSA-N	1	0	361.530	1.679	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+](CCCO)C2)CC1	ZINC000961412441	1012349658	/nfs/dbraw/zinc/34/96/58/1012349658.db2.gz	SGWGXCREWJDJGX-OTWHNJEPSA-N	1	0	350.503	1.911	20	30		FDEDRO
C[NH+]=C(NCc1cnc(N(C)C)n1C)N1CCN(c2ccccc2F)CC1	ZINC000087055752	1012403082	/nfs/dbraw/zinc/40/30/82/1012403082.db2.gz	ZEKYQKVYOGYOJI-UHFFFAOYSA-N	1	0	373.480	1.523	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCN2CCCC2=O)C3)cc1	ZINC001111417862	1012451560	/nfs/dbraw/zinc/45/15/60/1012451560.db2.gz	ODLWPXOLVPHCFE-QRVBRYPASA-N	1	0	366.465	1.792	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@H+]2C[C@H](O)C[C@H]2COC)c(OC)c1	ZINC000649742005	1012467059	/nfs/dbraw/zinc/46/70/59/1012467059.db2.gz	LTIGCSAIVAEWIY-BBWFWOEESA-N	1	0	351.443	1.245	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc(COC)c3)C[C@H]21	ZINC000961823099	1012892663	/nfs/dbraw/zinc/89/26/63/1012892663.db2.gz	HCOSDNRBOJXNNJ-SLHNCBLASA-N	1	0	356.466	1.971	20	30		FDEDRO
C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1	ZINC000963908091	1012939180	/nfs/dbraw/zinc/93/91/80/1012939180.db2.gz	OCIUFDRYNXXSFF-ZGUYJTEBSA-N	1	0	361.486	1.149	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ncnn2CCC)C1	ZINC000961852939	1012944407	/nfs/dbraw/zinc/94/44/07/1012944407.db2.gz	KBFYCLPCTAZPGS-BACDZXNISA-N	1	0	361.490	1.654	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CC23CCN(C(=O)C#CC2CC2)CC3)CC[N@@H+]1C	ZINC000963923196	1012962925	/nfs/dbraw/zinc/96/29/25/1012962925.db2.gz	CIRRHXKJPWMORA-KSZLIROESA-N	1	0	357.498	1.627	20	30		FDEDRO
CCOC(=O)N1CCC([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000190605110	178012748	/nfs/dbraw/zinc/01/27/48/178012748.db2.gz	OUBRNKBKVGRGEF-SFHVURJKSA-N	1	0	370.453	1.870	20	30		FDEDRO
CN1CCN([C@H]2CCCC[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)CC1	ZINC000245432181	178357521	/nfs/dbraw/zinc/35/75/21/178357521.db2.gz	OLUGFMUUDAVAHM-VQTJNVASSA-N	1	0	372.513	1.400	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1	ZINC000077730436	210068511	/nfs/dbraw/zinc/06/85/11/210068511.db2.gz	SZEHTEKLHXANKG-INIZCTEOSA-N	1	0	367.515	1.857	20	30		FDEDRO
CC(=O)N[C@H](CC(=O)NC1(C#N)CC[NH+](C)CC1)c1ccc(F)cc1F	ZINC000525061840	539678206	/nfs/dbraw/zinc/67/82/06/539678206.db2.gz	PNOCBAYWRNJGNX-MRXNPFEDSA-N	1	0	364.396	1.636	20	30		FDEDRO
C[C@@H]1C[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)C[N@@H+]1Cc1ccccc1	ZINC000268125934	180003170	/nfs/dbraw/zinc/00/31/70/180003170.db2.gz	GWXTVYIKDWPZFA-HIFRSBDPSA-N	1	0	353.426	1.031	20	30		FDEDRO
CS(=O)(=O)[C@H]1CCCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000528487041	539762212	/nfs/dbraw/zinc/76/22/12/539762212.db2.gz	GTPLWTJJLSANBY-HNNXBMFYSA-N	1	0	374.462	1.185	20	30		FDEDRO
C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CC#CCN1C(=O)c2ccccc2C1=O	ZINC000528509284	539763096	/nfs/dbraw/zinc/76/30/96/539763096.db2.gz	ZVBBRSCNRXMWOJ-DLBZAZTESA-N	1	0	351.450	1.845	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@](CO)(c2ccccc2)C1	ZINC000528510025	539764621	/nfs/dbraw/zinc/76/46/21/539764621.db2.gz	OXJFEDNPDNBYNJ-FPOVZHCZSA-N	1	0	352.434	1.934	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC2(CCOCC2)CC[C@H]1CO	ZINC000528637829	539771899	/nfs/dbraw/zinc/77/18/99/539771899.db2.gz	HYGOTKOXFMVFGE-ROUUACIJSA-N	1	0	360.454	1.551	20	30		FDEDRO
CCOC(=O)CNC(=O)C1CC[NH+](CCOc2ccccc2C#N)CC1	ZINC000269618455	180342006	/nfs/dbraw/zinc/34/20/06/180342006.db2.gz	DDSXUIAIVKFJTK-UHFFFAOYSA-N	1	0	359.426	1.328	20	30		FDEDRO
CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000529322526	539818506	/nfs/dbraw/zinc/81/85/06/539818506.db2.gz	MFYRBDQZGHYLAM-ZWKOTPCHSA-N	1	0	369.469	1.299	20	30		FDEDRO
COc1ccc(CN2CC[C@H]2C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1	ZINC000530130344	539889602	/nfs/dbraw/zinc/88/96/02/539889602.db2.gz	QCRHTYSIWZDFJH-ICSRJNTNSA-N	1	0	364.449	1.957	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]C1CCN(C(=O)c2ccco2)CC1	ZINC000530231996	539915232	/nfs/dbraw/zinc/91/52/32/539915232.db2.gz	UAEVBRYXSHQOAJ-KRWDZBQOSA-N	1	0	369.421	1.785	20	30		FDEDRO
CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)C1	ZINC000530232054	539915802	/nfs/dbraw/zinc/91/58/02/539915802.db2.gz	WGQYKUSZIHVGLG-ARFHVFGLSA-N	1	0	352.456	1.243	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1	ZINC000530514247	539989835	/nfs/dbraw/zinc/98/98/35/539989835.db2.gz	DWJOVFCGDIEYDU-INIZCTEOSA-N	1	0	373.505	1.306	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1N1CCN(c2cnc(C#N)cn2)CC1	ZINC000274639090	181136729	/nfs/dbraw/zinc/13/67/29/181136729.db2.gz	CWHBVNQWJCOREV-UHFFFAOYSA-N	1	0	352.442	1.615	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+](CC(N)=O)C(C)(C)C)c(OC)c1	ZINC000268463921	674089884	/nfs/dbraw/zinc/08/98/84/674089884.db2.gz	FQAOKEOHKJBEIL-OAHLLOKOSA-N	1	0	350.459	1.749	20	30		FDEDRO
C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1	ZINC000531148896	540083640	/nfs/dbraw/zinc/08/36/40/540083640.db2.gz	WTSMJOMLNYNDHI-QGZVFWFLSA-N	1	0	362.518	1.087	20	30		FDEDRO
C[C@H]1C[N@H+](C)CCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000532981644	540192935	/nfs/dbraw/zinc/19/29/35/540192935.db2.gz	LWJGXBDLPOKTSY-AWEZNQCLSA-N	1	0	353.388	1.809	20	30		FDEDRO
CCO[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)[C@@H]1OC	ZINC000275193167	181258328	/nfs/dbraw/zinc/25/83/28/181258328.db2.gz	FUGUCJBNACFEGI-QRVBRYPASA-N	1	0	374.485	1.824	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)NC1C2CC3CC(C2)CC1C3	ZINC000534100234	540323853	/nfs/dbraw/zinc/32/38/53/540323853.db2.gz	BSOWFBXMYHYKDJ-UHFFFAOYSA-N	1	0	370.501	1.669	20	30		FDEDRO
COC(=O)c1cccc(CN2CC[NH+](CC3CCOCC3)CC2)c1C#N	ZINC000534472330	540372109	/nfs/dbraw/zinc/37/21/09/540372109.db2.gz	MXYUJCATSDITEI-UHFFFAOYSA-N	1	0	357.454	1.889	20	30		FDEDRO
COC(=O)c1cccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1C#N	ZINC000535014261	540439347	/nfs/dbraw/zinc/43/93/47/540439347.db2.gz	VATNPYNHWVIECD-JXFKEZNVSA-N	1	0	370.497	1.803	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)OCC	ZINC000535153103	540454402	/nfs/dbraw/zinc/45/44/02/540454402.db2.gz	SOOOQRWILJQVJI-CVEARBPZSA-N	1	0	360.520	1.325	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH+]1CCC(OCCN2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000536933195	540661686	/nfs/dbraw/zinc/66/16/86/540661686.db2.gz	NILMWOVFPCSWHZ-IXDOHACOSA-N	1	0	353.507	1.267	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1	ZINC000537160175	540693755	/nfs/dbraw/zinc/69/37/55/540693755.db2.gz	FQWNZKIMPDPYBH-QGZVFWFLSA-N	1	0	358.486	1.889	20	30		FDEDRO
CC[N@H+](CCCO)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000537247129	540706196	/nfs/dbraw/zinc/70/61/96/540706196.db2.gz	ARWJDJSRYYVYOD-HNNXBMFYSA-N	1	0	350.488	1.161	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCC[NH2+]2)cc1	ZINC000269043407	674105592	/nfs/dbraw/zinc/10/55/92/674105592.db2.gz	LJGANPDNWKSCSS-VHAMKEJYSA-N	1	0	364.471	1.580	20	30		FDEDRO
C=CC[C@H](CO)CNC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1	ZINC000538211060	540826097	/nfs/dbraw/zinc/82/60/97/540826097.db2.gz	QTWDHLCNXIVARJ-INIZCTEOSA-N	1	0	368.522	1.097	20	30		FDEDRO
CCN(C(=O)CNc1ccc(C#N)cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000546911942	542258296	/nfs/dbraw/zinc/25/82/96/542258296.db2.gz	CDXSBABAQNUDJL-LJQANCHMSA-N	1	0	363.465	2.488	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)CC1	ZINC000538840238	540899198	/nfs/dbraw/zinc/89/91/98/540899198.db2.gz	ZZHQAYUKLDZJHK-GFCCVEGCSA-N	1	0	362.380	1.422	20	30		FDEDRO
COc1ccc(C2([NH2+]CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2)cc1	ZINC000540360198	541049952	/nfs/dbraw/zinc/04/99/52/541049952.db2.gz	LZWSJTYQGIKIJE-IBGZPJMESA-N	1	0	370.497	1.966	20	30		FDEDRO
C=CC[C@@H](CO)CNC(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1	ZINC000540388917	541053369	/nfs/dbraw/zinc/05/33/69/541053369.db2.gz	ZTRKOCZLUBZHAK-LJQANCHMSA-N	1	0	374.529	1.991	20	30		FDEDRO
C=CCOc1ccc(C[NH2+][C@@H](C)C(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000540602774	541080424	/nfs/dbraw/zinc/08/04/24/541080424.db2.gz	QDFYJYMVVSYWNM-HOCLYGCPSA-N	1	0	366.483	1.280	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1	ZINC000541208353	541168947	/nfs/dbraw/zinc/16/89/47/541168947.db2.gz	PECOAOHCTUZPEJ-ZDUSSCGKSA-N	1	0	358.442	1.644	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCSC[C@H]2CO)c(OC)c1	ZINC000541326222	541187175	/nfs/dbraw/zinc/18/71/75/541187175.db2.gz	TVVVILHAGVDVCD-HZPDHXFCSA-N	1	0	353.484	1.573	20	30		FDEDRO
CN(CCC[NH+]1CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000541760786	541260564	/nfs/dbraw/zinc/26/05/64/541260564.db2.gz	QGSHPCFHEPKMCL-UHFFFAOYSA-N	1	0	352.416	1.573	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(C)CCCc1[nH]nc(N)c1C#N	ZINC000541895874	541291888	/nfs/dbraw/zinc/29/18/88/541291888.db2.gz	AVCKJSVJEAONDL-UONOGXRCSA-N	1	0	361.494	1.558	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)CCSC1	ZINC000282586289	182027793	/nfs/dbraw/zinc/02/77/93/182027793.db2.gz	CPANFANUIJLLKK-SFHVURJKSA-N	1	0	355.467	1.911	20	30		FDEDRO
C[C@@H](O)CN1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C[C@H]1C	ZINC000282815819	182059676	/nfs/dbraw/zinc/05/96/76/182059676.db2.gz	RJFZSTXEOCHUIK-HUUCEWRRSA-N	1	0	353.426	1.271	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1	ZINC000545296495	541928783	/nfs/dbraw/zinc/92/87/83/541928783.db2.gz	TXJSJSQHQDRMPA-QGZVFWFLSA-N	1	0	359.474	1.960	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)c1ccc(C#N)cc1	ZINC000284048122	182348238	/nfs/dbraw/zinc/34/82/38/182348238.db2.gz	PYKOSAYOKJHTHW-OAHLLOKOSA-N	1	0	356.470	1.974	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1)c1ccc(C#N)cc1	ZINC000284145567	182378702	/nfs/dbraw/zinc/37/87/02/182378702.db2.gz	WYDNYTDASPJUKF-OAHLLOKOSA-N	1	0	356.470	1.974	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCC1(C[NH+](C)C)CCCC1	ZINC000545448330	541974428	/nfs/dbraw/zinc/97/44/28/541974428.db2.gz	OROFKONPHMGUOS-UHFFFAOYSA-N	1	0	361.494	1.560	20	30		FDEDRO
COc1ccc([C@H](CNC(=O)[C@H](C)n2cnc(C#N)n2)[NH+]2CCCC2)cc1	ZINC000545967158	542060795	/nfs/dbraw/zinc/06/07/95/542060795.db2.gz	WKVQZSOUOCGPDD-YOEHRIQHSA-N	1	0	368.441	1.673	20	30		FDEDRO
COCCN(CC[NH+](C)C)C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000286222032	183017283	/nfs/dbraw/zinc/01/72/83/183017283.db2.gz	SWJYNRJQAAWNNS-INIZCTEOSA-N	1	0	362.449	1.560	20	30		FDEDRO
C[N@@H+]1CC[C@@](O)(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)C1	ZINC000546569968	542166657	/nfs/dbraw/zinc/16/66/57/542166657.db2.gz	OTUUIJJHHWIXGC-OAQYLSRUSA-N	1	0	365.433	1.934	20	30		FDEDRO
CC[C@@H]1CN(C(=O)NCCn2cnc(C#N)n2)CC[N@@H+]1Cc1ccccc1	ZINC000286653779	183120230	/nfs/dbraw/zinc/12/02/30/183120230.db2.gz	ABAFXVDQFKWWRI-QGZVFWFLSA-N	1	0	367.457	1.456	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C	ZINC000546612650	542182210	/nfs/dbraw/zinc/18/22/10/542182210.db2.gz	AGHXTKXQSJNUNZ-BBRMVZONSA-N	1	0	367.457	2.298	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000546612523	542182581	/nfs/dbraw/zinc/18/25/81/542182581.db2.gz	FBTOHCAJNPZRLL-HZPDHXFCSA-N	1	0	365.441	2.196	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCCn1cnc(C#N)n1	ZINC000286706149	183130880	/nfs/dbraw/zinc/13/08/80/183130880.db2.gz	FDXCWXIZKWJTRS-MRXNPFEDSA-N	1	0	367.457	1.456	20	30		FDEDRO
C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)C1	ZINC000286956614	183181075	/nfs/dbraw/zinc/18/10/75/183181075.db2.gz	RCJORINRGWFOQR-SNVBAGLBSA-N	1	0	358.261	1.645	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C	ZINC000287125479	183218088	/nfs/dbraw/zinc/21/80/88/183218088.db2.gz	MDABLIPJWBSMTE-QGZVFWFLSA-N	1	0	358.486	1.999	20	30		FDEDRO
C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCn1cnc(C#N)n1	ZINC000287342809	183268293	/nfs/dbraw/zinc/26/82/93/183268293.db2.gz	GLWIERCBHUBRNI-ZDUSSCGKSA-N	1	0	360.849	1.830	20	30		FDEDRO
CC[NH+](CC)CCOc1ccc(NC(=O)NCCn2cnc(C#N)n2)cc1	ZINC000287421365	183289230	/nfs/dbraw/zinc/28/92/30/183289230.db2.gz	YGJPPNSDEPLDCX-UHFFFAOYSA-N	1	0	371.445	1.692	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@H](C(=O)N4CCCC4)C3)C2=O)cc1	ZINC000287558442	183323099	/nfs/dbraw/zinc/32/30/99/183323099.db2.gz	WTTCXRPEEFBIFX-HKUYNNGSSA-N	1	0	366.465	1.998	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)[nH]1	ZINC000287510205	183311145	/nfs/dbraw/zinc/31/11/45/183311145.db2.gz	UWGSXVFOFZAUJA-IBGZPJMESA-N	1	0	363.465	1.919	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1F	ZINC000290416435	183646582	/nfs/dbraw/zinc/64/65/82/183646582.db2.gz	GTBJKXOPEBZBKA-AWEZNQCLSA-N	1	0	374.416	1.207	20	30		FDEDRO
COC[C@]1(C(=O)OC)CC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000295224115	184047051	/nfs/dbraw/zinc/04/70/51/184047051.db2.gz	VZKQNEMYAMASBP-LPHOPBHVSA-N	1	0	357.410	1.175	20	30		FDEDRO
COC[C@]1(C(=O)OC)CC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000295114105	184034836	/nfs/dbraw/zinc/03/48/36/184034836.db2.gz	HYPJWWOTXIFAQS-PXNSSMCTSA-N	1	0	371.437	1.565	20	30		FDEDRO
COC[C@]1(C(=O)OC)CCN(CC(=O)Nc2sc(C)c(C)c2C#N)C1	ZINC000295119023	184035135	/nfs/dbraw/zinc/03/51/35/184035135.db2.gz	INNLSQMREIGNMB-KRWDZBQOSA-N	1	0	365.455	1.687	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)Cc2ccc(F)cc2C#N)C[C@H]1[NH+](C)C	ZINC000295141613	184037756	/nfs/dbraw/zinc/03/77/56/184037756.db2.gz	LAZBDHLXOXRTON-CABCVRRESA-N	1	0	357.476	1.505	20	30		FDEDRO
C[C@@H]1C[C@H](S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)CCO1	ZINC000295449439	184072745	/nfs/dbraw/zinc/07/27/45/184072745.db2.gz	PKJAHCHNDUCRDO-CRAIPNDOSA-N	1	0	365.499	1.819	20	30		FDEDRO
C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(Br)cc3C#N)[C@@H]2C1	ZINC000295469972	184074800	/nfs/dbraw/zinc/07/48/00/184074800.db2.gz	LUQHLKCCPWIMQL-HUUCEWRRSA-N	1	0	364.243	1.866	20	30		FDEDRO
N#Cc1cc(F)ccc1CS(=O)(=O)NCCCC[N@H+]1CCC[C@@H]1CO	ZINC000295515981	184079596	/nfs/dbraw/zinc/07/95/96/184079596.db2.gz	IDZMGWYLPJJIDI-QGZVFWFLSA-N	1	0	369.462	1.354	20	30		FDEDRO
N#Cc1cc(Br)ccc1C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1	ZINC000296432007	184165610	/nfs/dbraw/zinc/16/56/10/184165610.db2.gz	MQCXYYPMLLPEDX-CQSZACIVSA-N	1	0	366.259	1.897	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NCc3ccc4c[nH+]cn4c3)CC2)nc1	ZINC000297972785	184366667	/nfs/dbraw/zinc/36/66/67/184366667.db2.gz	XIWFJBGHQNHMDM-UHFFFAOYSA-N	1	0	361.409	1.633	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1	ZINC000050028253	533145826	/nfs/dbraw/zinc/14/58/26/533145826.db2.gz	MHRLZADPQNIFGF-UHFFFAOYSA-N	1	0	356.426	1.589	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000169076189	258263945	/nfs/dbraw/zinc/26/39/45/258263945.db2.gz	PRJFGTLVZFLHCE-QGZVFWFLSA-N	1	0	355.442	1.637	20	30		FDEDRO
Cc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1S(N)(=O)=O	ZINC000548932935	542809700	/nfs/dbraw/zinc/80/97/00/542809700.db2.gz	JOCUXMFXFUKMHI-CYBMUJFWSA-N	1	0	372.450	1.803	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1ccc(C[NH+]2CCCC2)cc1	ZINC000549346674	542871249	/nfs/dbraw/zinc/87/12/49/542871249.db2.gz	UEWUDOMLHNWXFJ-UHFFFAOYSA-N	1	0	366.469	2.164	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1	ZINC000550563978	543127087	/nfs/dbraw/zinc/12/70/87/543127087.db2.gz	AYUMEOCHMXLSFS-YJBOKZPZSA-N	1	0	363.502	1.607	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1	ZINC000550715283	543157548	/nfs/dbraw/zinc/15/75/48/543157548.db2.gz	CMJPJCLSVDTSHN-GFCCVEGCSA-N	1	0	369.391	1.728	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)[C@@H]1CCCOC1	ZINC000551980500	543395927	/nfs/dbraw/zinc/39/59/27/543395927.db2.gz	ASXOQDVHGUANCT-MOPGFXCFSA-N	1	0	374.460	1.645	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2	ZINC000552420736	543464724	/nfs/dbraw/zinc/46/47/24/543464724.db2.gz	RDTVQXDEFMSNNV-DLBZAZTESA-N	1	0	366.469	1.846	20	30		FDEDRO
CC[C@H](CO)[NH+]1CCN([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000072797698	172050047	/nfs/dbraw/zinc/05/00/47/172050047.db2.gz	MVWSMOXQTCVZKN-XJKSGUPXSA-N	1	0	364.877	1.927	20	30		FDEDRO
CC[C@H]1C[N@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCS1	ZINC000072862950	172051941	/nfs/dbraw/zinc/05/19/41/172051941.db2.gz	QCLTZRLTPIJFQD-AWEZNQCLSA-N	1	0	363.487	1.331	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@H](C(=O)NCC4CC4)C3)C2=O)cc1	ZINC000077031695	172121085	/nfs/dbraw/zinc/12/10/85/172121085.db2.gz	CDKKEWRAJXAUHZ-HKUYNNGSSA-N	1	0	366.465	1.902	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000078763680	172153450	/nfs/dbraw/zinc/15/34/50/172153450.db2.gz	OKRHORDTRYVYPW-UHFFFAOYSA-N	1	0	351.472	1.321	20	30		FDEDRO
CC(C)[C@H](CNC(=O)N(C)Cc1cccc(C#N)c1)[NH+]1CCN(C)CC1	ZINC000079126230	172158744	/nfs/dbraw/zinc/15/87/44/172158744.db2.gz	WNYHOXVUHGDGST-IBGZPJMESA-N	1	0	357.502	1.972	20	30		FDEDRO
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC(C(=O)NCC[NH+](C)C)CC1	ZINC000083170072	172202656	/nfs/dbraw/zinc/20/26/56/172202656.db2.gz	QFWXUDWWSYGHFH-GOSISDBHSA-N	1	0	372.469	1.162	20	30		FDEDRO
N#Cc1cnn(-c2ccc(C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)cc2)c1N	ZINC000127067696	173063974	/nfs/dbraw/zinc/06/39/74/173063974.db2.gz	XFHOUELGGDIJEF-OAHLLOKOSA-N	1	0	364.453	1.884	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(N3CCCNC3=O)CC2)cc1	ZINC000135432330	173344866	/nfs/dbraw/zinc/34/48/66/173344866.db2.gz	NNDHMIFEFDIEDP-QGZVFWFLSA-N	1	0	358.442	1.178	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000175983301	174041824	/nfs/dbraw/zinc/04/18/24/174041824.db2.gz	QUZHRHFSPVUWMI-CQSZACIVSA-N	1	0	374.416	1.207	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(C[NH+](C)C)ccn1	ZINC000176918523	174094943	/nfs/dbraw/zinc/09/49/43/174094943.db2.gz	URXFHGGSQYRSNP-UHFFFAOYSA-N	1	0	353.426	1.891	20	30		FDEDRO
CC(C)NS(=O)(=O)CC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000180172287	258363408	/nfs/dbraw/zinc/36/34/08/258363408.db2.gz	QHCOFJBTBXSEBS-UHFFFAOYSA-N	1	0	361.471	1.376	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(Cc3nnc(-c4ccc(C#N)cc4)o3)C2)CC1	ZINC000173708741	258308422	/nfs/dbraw/zinc/30/84/22/258308422.db2.gz	VTYMYMVAAYZLCQ-GOSISDBHSA-N	1	0	366.469	1.820	20	30		FDEDRO
CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000182933039	258378550	/nfs/dbraw/zinc/37/85/50/258378550.db2.gz	JLLAQJSPRMEDDP-IEBWSBKVSA-N	1	0	354.454	1.854	20	30		FDEDRO
CC[NH+](CC)CCN(C(=O)c1cc(C#N)oc1C)[C@H]1CCS(=O)(=O)C1	ZINC000281395659	258657439	/nfs/dbraw/zinc/65/74/39/258657439.db2.gz	VRJZPDMGAHRYPM-AWEZNQCLSA-N	1	0	367.471	1.431	20	30		FDEDRO
C[C@H](C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)[NH+]1CC(C)C1	ZINC000553268565	543598733	/nfs/dbraw/zinc/59/87/33/543598733.db2.gz	QQBYGXWCNAWDOL-OAHLLOKOSA-N	1	0	366.469	1.715	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1CCC[N@H+]1CCOC	ZINC000553275659	543600586	/nfs/dbraw/zinc/60/05/86/543600586.db2.gz	NKCJMWDUROFQPD-SFHVURJKSA-N	1	0	359.470	1.428	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2cccc(-n3ccnc3)c2)CC1	ZINC000553329258	543610443	/nfs/dbraw/zinc/61/04/43/543610443.db2.gz	CBSWWZPKAOOVAI-UHFFFAOYSA-N	1	0	367.453	1.255	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)CC1	ZINC000553329426	543610533	/nfs/dbraw/zinc/61/05/33/543610533.db2.gz	GAYPSILKGOCMIC-UHFFFAOYSA-N	1	0	368.481	1.870	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)CC1	ZINC000553732385	543688011	/nfs/dbraw/zinc/68/80/11/543688011.db2.gz	DDPKEJRSOMBTFT-UHFFFAOYSA-N	1	0	374.441	1.676	20	30		FDEDRO
C[C@@]1(CNC(=O)C(=O)NCCCCC#N)CCC[N@@H+]1Cc1ccccc1	ZINC000553611556	543668903	/nfs/dbraw/zinc/66/89/03/543668903.db2.gz	NUYOAFXSSDYPGY-FQEVSTJZSA-N	1	0	356.470	1.967	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CC[C@H](C(=O)OC(C)(C)C)O1	ZINC000555059669	543907559	/nfs/dbraw/zinc/90/75/59/543907559.db2.gz	SDHWUQVENQBDLR-LSDHHAIUSA-N	1	0	353.463	1.570	20	30		FDEDRO
CN1CC[NH+](CCCCNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1	ZINC000555297567	543938981	/nfs/dbraw/zinc/93/89/81/543938981.db2.gz	IMSSMKVLLUHIGU-UHFFFAOYSA-N	1	0	369.391	1.729	20	30		FDEDRO
CC[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@@H](C)CO	ZINC000555665975	543999938	/nfs/dbraw/zinc/99/99/38/543999938.db2.gz	LSDRYDFRJQHRRQ-LSDHHAIUSA-N	1	0	350.488	1.160	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1	ZINC000556518307	544152061	/nfs/dbraw/zinc/15/20/61/544152061.db2.gz	ROUJSGCMSNRMDP-WTTBNOFXSA-N	1	0	360.458	1.838	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@H](SC)C2)CC1	ZINC000557768791	544343892	/nfs/dbraw/zinc/34/38/92/544343892.db2.gz	YPPOMFSVHCDJPB-CVEARBPZSA-N	1	0	353.532	1.934	20	30		FDEDRO
C=C(C)Cn1c(COCC)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000558984388	544565570	/nfs/dbraw/zinc/56/55/70/544565570.db2.gz	AHOGLARYKGDHMI-KRWDZBQOSA-N	1	0	363.506	1.939	20	30		FDEDRO
C=C(C)Cn1c(COCC)nnc1N1CC[NH+](CC2CCOCC2)CC1	ZINC000558986699	544566114	/nfs/dbraw/zinc/56/61/14/544566114.db2.gz	OJXJZCAPVOKIGP-UHFFFAOYSA-N	1	0	363.506	1.939	20	30		FDEDRO
CCC[NH+]1CCC(CNC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1	ZINC000559723153	544774829	/nfs/dbraw/zinc/77/48/29/544774829.db2.gz	PWKXMIPFVMRSNQ-OAHLLOKOSA-N	1	0	356.470	1.974	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000289018205	258792741	/nfs/dbraw/zinc/79/27/41/258792741.db2.gz	KVDMBEBGELIVFB-DNVCBOLYSA-N	1	0	368.481	1.894	20	30		FDEDRO
C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000293143817	258860088	/nfs/dbraw/zinc/86/00/88/258860088.db2.gz	RXKZYHRIIIGRTO-SNVBAGLBSA-N	1	0	367.247	1.716	20	30		FDEDRO
Cc1nsc(NC(=O)NCc2cccnc2N2CC[NH+](C)CC2)c1C#N	ZINC000294090464	258912176	/nfs/dbraw/zinc/91/21/76/258912176.db2.gz	BAIXUNXKVAVDFB-UHFFFAOYSA-N	1	0	371.470	1.792	20	30		FDEDRO
CS[C@@H]1CN([C@H]2CCN(c3sccc3C#N)C2=O)C[C@@H]1[NH+](C)C	ZINC000299728029	259019661	/nfs/dbraw/zinc/01/96/61/259019661.db2.gz	VPNCMVSTZQRQQA-MELADBBJSA-N	1	0	350.513	1.702	20	30		FDEDRO
CC[C@@H]1CN([C@H]2CCN(c3sccc3C#N)C2=O)C[C@H]1N1CCOCC1	ZINC000330193514	259132718	/nfs/dbraw/zinc/13/27/18/259132718.db2.gz	ALKSOZAKCMQLAX-HYVNUMGLSA-N	1	0	374.510	1.768	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)Cc2cc(C#N)ccc2F)C[C@@H]1[NH+](C)C	ZINC000330567334	259150655	/nfs/dbraw/zinc/15/06/55/259150655.db2.gz	CREJZLMREWTSGX-GJZGRUSLSA-N	1	0	357.476	1.505	20	30		FDEDRO
CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1sccc1C#N	ZINC000330606703	259153069	/nfs/dbraw/zinc/15/30/69/259153069.db2.gz	KUBZBVSVZPDYEW-QWHCGFSZSA-N	1	0	370.500	1.398	20	30		FDEDRO
C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)c2ccc(C#N)s2)CC1	ZINC000331255297	259183278	/nfs/dbraw/zinc/18/32/78/259183278.db2.gz	YHDOCYSFXXKEIL-UHFFFAOYSA-N	1	0	356.517	1.314	20	30		FDEDRO
C[C@H]1C[N@H+](C)[C@@H](C)CN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000331542674	259202814	/nfs/dbraw/zinc/20/28/14/259202814.db2.gz	GTFFTEBMBYHHEZ-GJZGRUSLSA-N	1	0	352.442	1.707	20	30		FDEDRO
N#Cc1ccc(NC(=O)N2CCCO[C@H](C[NH3+])C2)cc1Br	ZINC000332259956	259253087	/nfs/dbraw/zinc/25/30/87/259253087.db2.gz	DSMYJPMIYFJFBG-GFCCVEGCSA-N	1	0	353.220	1.902	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)C2=O)cc1	ZINC000333554261	259359457	/nfs/dbraw/zinc/35/94/57/259359457.db2.gz	KPAPRYICYUJCIJ-RYRKJORJSA-N	1	0	367.453	1.305	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)C2=O)cc1	ZINC000333599124	259362259	/nfs/dbraw/zinc/36/22/59/259362259.db2.gz	PIYIYJTXAVAGPE-FJIDUMEYSA-N	1	0	367.453	1.038	20	30		FDEDRO
C[C@@H]1[NH2+]CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H]1C	ZINC000333665510	259368138	/nfs/dbraw/zinc/36/81/38/259368138.db2.gz	XNTZLMPVVKBTIU-GRDNDAEWSA-N	1	0	355.442	1.051	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)C2=O)cc1	ZINC000333711452	259373143	/nfs/dbraw/zinc/37/31/43/259373143.db2.gz	FMLPVCGSNOLSNH-SQNIBIBYSA-N	1	0	367.453	1.195	20	30		FDEDRO
CN(C)c1noc(C2CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)n1	ZINC000363741092	259653364	/nfs/dbraw/zinc/65/33/64/259653364.db2.gz	YTKNIOZWFPYPSS-INIZCTEOSA-N	1	0	371.441	1.627	20	30		FDEDRO
C[C@H](CNC(=O)N1CCC(n2cnc(C#N)n2)CC1)C[NH+]1CCCCC1	ZINC000366328088	259928171	/nfs/dbraw/zinc/92/81/71/259928171.db2.gz	PVBHVRVFKDZHHY-OAHLLOKOSA-N	1	0	359.478	1.618	20	30		FDEDRO
N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)sc2c1CCCC2	ZINC000368097024	260135339	/nfs/dbraw/zinc/13/53/39/260135339.db2.gz	DCXPNTKKFGPYTP-OLZOCXBDSA-N	1	0	372.494	1.895	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CCN(C(=O)NCCC[NH+]3CCCCC3)C2)nc1	ZINC000368121373	260138262	/nfs/dbraw/zinc/13/82/62/260138262.db2.gz	HCXIDMSCOQTCRE-KRWDZBQOSA-N	1	0	357.458	1.992	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000369274992	260331381	/nfs/dbraw/zinc/33/13/81/260331381.db2.gz	UMRXZLGVWBUFNQ-INIZCTEOSA-N	1	0	372.469	1.230	20	30		FDEDRO
C[NH+](C)[C@@H]1CCc2ccccc2[C@@H]1NS(=O)(=O)c1ccc(C#N)nc1	ZINC000369464252	260371902	/nfs/dbraw/zinc/37/19/02/260371902.db2.gz	BYKKANCFCGSSAM-MSOLQXFVSA-N	1	0	356.451	1.849	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCCO[C@H]4CCC[C@H]43)CC2)o1	ZINC000369471467	260373145	/nfs/dbraw/zinc/37/31/45/260373145.db2.gz	OMWJFRRZUXMHPH-SJORKVTESA-N	1	0	373.457	1.147	20	30		FDEDRO
COc1cc(C#N)ccc1OCCN1CCN(C2(C(N)=O)CCCC2)CC1	ZINC000369592244	260396086	/nfs/dbraw/zinc/39/60/86/260396086.db2.gz	QFTIWIOBYHEWAM-UHFFFAOYSA-N	1	0	372.469	1.361	20	30		FDEDRO
N#Cc1ncn(C2CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)n1	ZINC000369609231	260399805	/nfs/dbraw/zinc/39/98/05/260399805.db2.gz	NIBAARLEJIWBRR-UHFFFAOYSA-N	1	0	369.385	1.724	20	30		FDEDRO
C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1	ZINC000373702075	261032554	/nfs/dbraw/zinc/03/25/54/261032554.db2.gz	WFDCTISQKZEOKB-MSOLQXFVSA-N	1	0	354.454	1.459	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCCc2cccc(C#N)c2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000374193978	261091682	/nfs/dbraw/zinc/09/16/82/261091682.db2.gz	NZGJXCUGLHGXCC-XLIONFOSSA-N	1	0	369.513	1.768	20	30		FDEDRO
C[C@@H]1CN(CC(=O)Nc2sccc2C#N)CCN1C1CC[NH+](C)CC1	ZINC000374257798	261101100	/nfs/dbraw/zinc/10/11/00/261101100.db2.gz	GUFDSPHTUJNDER-CQSZACIVSA-N	1	0	361.515	1.659	20	30		FDEDRO
Cn1cc(C[NH2+][C@@H](CC(N)=O)C2CCOCC2)c(-c2ccc(C#N)cc2)n1	ZINC000374968443	261237700	/nfs/dbraw/zinc/23/77/00/261237700.db2.gz	IBWHKVCIKUMGLF-SFHVURJKSA-N	1	0	367.453	1.719	20	30		FDEDRO
CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cn2)CC1	ZINC000375537734	261366420	/nfs/dbraw/zinc/36/64/20/261366420.db2.gz	SFFPRHJZBIMPJK-IRXDYDNUSA-N	1	0	362.499	1.867	20	30		FDEDRO
COC(=O)CNC(=O)CC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000375742350	261410495	/nfs/dbraw/zinc/41/04/95/261410495.db2.gz	HIAMPKDXCAGBEF-UHFFFAOYSA-N	1	0	363.389	1.220	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCn2cnc(C#N)n2)C1	ZINC000377215851	261745717	/nfs/dbraw/zinc/74/57/17/261745717.db2.gz	FIUUYSROERKNOC-HZPDHXFCSA-N	1	0	359.478	1.446	20	30		FDEDRO
CN1CC[NH+](C[C@@H]2CCCN(CC(=O)Nc3cccc(C#N)c3)C2)CC1	ZINC000378300888	262004949	/nfs/dbraw/zinc/00/49/49/262004949.db2.gz	ZQXFVVONVVBRBR-SFHVURJKSA-N	1	0	355.486	1.456	20	30		FDEDRO
Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H](C)n2cnc(C#N)n2)CC1	ZINC000409467585	262123462	/nfs/dbraw/zinc/12/34/62/262123462.db2.gz	CEDXWLROESJDNQ-HNNXBMFYSA-N	1	0	352.442	1.800	20	30		FDEDRO
C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1ccn(-c2cccc(C#N)c2)n1	ZINC000409726451	262137190	/nfs/dbraw/zinc/13/71/90/262137190.db2.gz	HMMYWGGBMBNWRR-GOSISDBHSA-N	1	0	367.453	1.927	20	30		FDEDRO
C[C@@H](C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)n1cnc(C#N)n1	ZINC000409951032	262147383	/nfs/dbraw/zinc/14/73/83/262147383.db2.gz	FQISNFAOKVEVEU-WMLDXEAASA-N	1	0	352.442	1.738	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087202099	782060472	/nfs/dbraw/zinc/06/04/72/782060472.db2.gz	OYCGNRNTUGNYTF-AYOQOUSVSA-N	1	0	368.481	1.753	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)cn1	ZINC000892187576	782068871	/nfs/dbraw/zinc/06/88/71/782068871.db2.gz	LXTMBZVZAOIAFN-ARFHVFGLSA-N	1	0	354.458	1.173	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CNc2n[nH]c(C3CC3)c2C#N)C1	ZINC000492358569	489826757	/nfs/dbraw/zinc/82/67/57/489826757.db2.gz	SEPDJSFATSIFKM-CQSZACIVSA-N	1	0	360.462	1.044	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(C(=O)CNc2ccc(C#N)cn2)CC1	ZINC000478450134	490020015	/nfs/dbraw/zinc/02/00/15/490020015.db2.gz	QPGXSKVXUCBKNC-UHFFFAOYSA-N	1	0	352.398	1.118	20	30		FDEDRO
C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000512952748	490705361	/nfs/dbraw/zinc/70/53/61/490705361.db2.gz	MBKURWGGHSKPEE-UHFFFAOYSA-N	1	0	372.404	1.278	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCN(CC(F)(F)F)C2)c1C#N	ZINC000527184387	490707216	/nfs/dbraw/zinc/70/72/16/490707216.db2.gz	JXZBIMMHKNFUAU-JTQLQIEISA-N	1	0	358.368	1.256	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)n1	ZINC000540266509	490812051	/nfs/dbraw/zinc/81/20/51/490812051.db2.gz	DOBVCQBPQFQTBL-HNNXBMFYSA-N	1	0	372.473	1.464	20	30		FDEDRO
Cc1cc(NC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)ncc1C#N	ZINC000603119673	492015428	/nfs/dbraw/zinc/01/54/28/492015428.db2.gz	KEUQQYSTUJVGOZ-QGZVFWFLSA-N	1	0	372.473	1.180	20	30		FDEDRO
C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CCc3cc(C#N)ccc32)n1	ZINC000618881420	492241881	/nfs/dbraw/zinc/24/18/81/492241881.db2.gz	YWMUTYREYRZUEG-INIZCTEOSA-N	1	0	366.425	1.059	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1	ZINC000069122201	521810347	/nfs/dbraw/zinc/81/03/47/521810347.db2.gz	ZBRBRUUPLDODSM-MRXNPFEDSA-N	1	0	358.442	1.278	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(C(=O)NCCCOC)CC1	ZINC000056307673	521832381	/nfs/dbraw/zinc/83/23/81/521832381.db2.gz	KUEABHBXPLIGRQ-INIZCTEOSA-N	1	0	351.491	1.440	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCNC(=O)C1CC1	ZINC000043308495	521849395	/nfs/dbraw/zinc/84/93/95/521849395.db2.gz	OAXUOJWFWHUKSW-UHFFFAOYSA-N	1	0	357.458	1.158	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)CCc1c(C)nn(CCC#N)c1C	ZINC000069526704	521901129	/nfs/dbraw/zinc/90/11/29/521901129.db2.gz	CNSPZUYPAKQTMH-KRWDZBQOSA-N	1	0	361.490	1.573	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](c2noc(C)n2)c2ccccc2OC)CC1	ZINC000070982150	522068631	/nfs/dbraw/zinc/06/86/31/522068631.db2.gz	PHABXVPSYCVVBO-GOSISDBHSA-N	1	0	368.437	1.937	20	30		FDEDRO
CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1	ZINC000072560662	522324535	/nfs/dbraw/zinc/32/45/35/522324535.db2.gz	DREPOTJTUSERPE-INIZCTEOSA-N	1	0	364.471	1.291	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)cc1	ZINC000072639713	522344811	/nfs/dbraw/zinc/34/48/11/522344811.db2.gz	ZYWJTIDIVKDPJL-DLBZAZTESA-N	1	0	370.453	1.236	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(-n3ccnc3)c2)CC1	ZINC000072851511	522406699	/nfs/dbraw/zinc/40/66/99/522406699.db2.gz	MHIORPDGOWWZHL-UHFFFAOYSA-N	1	0	367.453	1.968	20	30		FDEDRO
C[NH+]=C(NCc1cccc(Cl)c1)NCC1CCN(S(C)(=O)=O)CC1	ZINC000073253422	522500952	/nfs/dbraw/zinc/50/09/52/522500952.db2.gz	VQVFJAISFXIEAM-UHFFFAOYSA-N	1	0	372.922	1.677	20	30		FDEDRO
CNC(=O)CNC(=[NH+]C)N1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000073550693	522545288	/nfs/dbraw/zinc/54/52/88/522545288.db2.gz	FQUPIXLMNLWBBX-UHFFFAOYSA-N	1	0	357.380	1.149	20	30		FDEDRO
C[NH+]=C(NCC(=O)N1CCc2ccccc21)N1CCC(C(=O)OC)CC1	ZINC000073628528	522570184	/nfs/dbraw/zinc/57/01/84/522570184.db2.gz	HQZBKQGCUVVYTI-UHFFFAOYSA-N	1	0	358.442	1.036	20	30		FDEDRO
CC[NH+]=C(NCc1c(C)noc1C)N1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000073777914	522607400	/nfs/dbraw/zinc/60/74/00/522607400.db2.gz	WAOLNRZIHJHOSD-INIZCTEOSA-N	1	0	363.462	1.080	20	30		FDEDRO
O=S1(=O)CC[C@@H](CNC(N[C@@H]2CCOc3ccccc32)=[NH+]C2CC2)C1	ZINC000073806908	522612064	/nfs/dbraw/zinc/61/20/64/522612064.db2.gz	DVFBOZRVWDRFLU-XJKSGUPXSA-N	1	0	363.483	1.643	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)cc1	ZINC000047981583	522642933	/nfs/dbraw/zinc/64/29/33/522642933.db2.gz	YWVSYXZSESMEKD-RBUKOAKNSA-N	1	0	371.481	1.731	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCNC(=O)C1CC1	ZINC000048238905	522697066	/nfs/dbraw/zinc/69/70/66/522697066.db2.gz	QTMKSKZDEGWSDE-UHFFFAOYSA-N	1	0	356.470	1.755	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CCc1nc(-c2ccncc2)no1	ZINC000064381265	522709549	/nfs/dbraw/zinc/70/95/49/522709549.db2.gz	AQEXVSPPWSZGSD-UHFFFAOYSA-N	1	0	356.430	1.758	20	30		FDEDRO
CC(C)OCC[NH+]1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000074798526	522838939	/nfs/dbraw/zinc/83/89/39/522838939.db2.gz	BBMVKYZPJSWNCO-LJQANCHMSA-N	1	0	361.486	1.535	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN(c2cnn(C)c2)CC1)C(C)C	ZINC000074853171	522846003	/nfs/dbraw/zinc/84/60/03/522846003.db2.gz	FLZVHUCGLYAJIK-LJQANCHMSA-N	1	0	374.533	1.950	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1nnnn1C1CC1	ZINC000074864555	522848438	/nfs/dbraw/zinc/84/84/38/522848438.db2.gz	QPUMSYCLEDEPAL-UHFFFAOYSA-N	1	0	368.445	1.153	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)CC1	ZINC000050025753	522877511	/nfs/dbraw/zinc/87/75/11/522877511.db2.gz	VSESCOPXDCDNLA-FQEVSTJZSA-N	1	0	355.482	1.349	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1	ZINC000050169718	522896718	/nfs/dbraw/zinc/89/67/18/522896718.db2.gz	IUNDPTWNJASRAD-UHFFFAOYSA-N	1	0	356.426	1.592	20	30		FDEDRO
CCCC[C@H](NC(N)=O)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000065930151	522920821	/nfs/dbraw/zinc/92/08/21/522920821.db2.gz	QFCKVKYDYHEKLD-KRWDZBQOSA-N	1	0	359.474	1.676	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)NCC[N@@H+](C)[C@H](C)CC)c1	ZINC000066127133	522963247	/nfs/dbraw/zinc/96/32/47/522963247.db2.gz	SZWFVGSTGPBTSP-CQSZACIVSA-N	1	0	351.472	1.058	20	30		FDEDRO
N#Cc1cccc(-c2nnc(CN3CC[C@H](C[NH+]4CCOCC4)C3)o2)c1	ZINC000075768354	522967420	/nfs/dbraw/zinc/96/74/20/522967420.db2.gz	OMNLAQZTKKCCQS-MRXNPFEDSA-N	1	0	353.426	1.762	20	30		FDEDRO
C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000076306517	523073198	/nfs/dbraw/zinc/07/31/98/523073198.db2.gz	MISVRHTVIPWKFN-SNVBAGLBSA-N	1	0	354.332	1.583	20	30		FDEDRO
CS(=O)(=O)NC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1	ZINC000076951980	523212614	/nfs/dbraw/zinc/21/26/14/523212614.db2.gz	LUJPGIBVTNQUJX-HNNXBMFYSA-N	1	0	364.471	1.148	20	30		FDEDRO
CCc1ccccc1N1C[C@@H](C(=O)NC2(C#N)CC[NH+](C)CC2)CC1=O	ZINC000077037780	523239526	/nfs/dbraw/zinc/23/95/26/523239526.db2.gz	PRQBOWZLIKZWDJ-INIZCTEOSA-N	1	0	354.454	1.706	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)CC1	ZINC000077038852	523240101	/nfs/dbraw/zinc/24/01/01/523240101.db2.gz	NSELOPGPEOBHNB-MRXNPFEDSA-N	1	0	372.444	1.782	20	30		FDEDRO
CCN(C1CC[NH+](CCOc2cccc(C#N)c2)CC1)S(C)(=O)=O	ZINC000066882733	523243233	/nfs/dbraw/zinc/24/32/33/523243233.db2.gz	DZBYAJGDUZFJGT-UHFFFAOYSA-N	1	0	351.472	1.683	20	30		FDEDRO
Cc1ccccc1C(=O)NC1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1	ZINC000052746969	523264007	/nfs/dbraw/zinc/26/40/07/523264007.db2.gz	FNRBMEBOASIQRQ-MRXNPFEDSA-N	1	0	356.470	1.950	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2cc(S(=O)(=O)NC)ccc2C)CC1	ZINC000077479331	523354660	/nfs/dbraw/zinc/35/46/60/523354660.db2.gz	MMBLPYADANQKMU-UHFFFAOYSA-N	1	0	366.487	1.675	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NC[C@H](C)C[NH+]3CCCC3)cc2C1=O	ZINC000077667279	523409715	/nfs/dbraw/zinc/40/97/15/523409715.db2.gz	UHLNKADABOEOTK-AWEZNQCLSA-N	1	0	355.438	1.930	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1	ZINC000077823196	523479997	/nfs/dbraw/zinc/47/99/97/523479997.db2.gz	FUUSOWSGCKDMME-UHFFFAOYSA-N	1	0	366.368	1.556	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1	ZINC000067546842	523491252	/nfs/dbraw/zinc/49/12/52/523491252.db2.gz	UOIQSDIOPILUIZ-SFHVURJKSA-N	1	0	374.485	1.817	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCC2CC[NH+](CC)CC2)cc1	ZINC000067682908	523540733	/nfs/dbraw/zinc/54/07/33/523540733.db2.gz	NKTYSHAIRQUECV-UHFFFAOYSA-N	1	0	365.499	1.613	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(c2nnc3ccccn32)CC1	ZINC000078793927	523651595	/nfs/dbraw/zinc/65/15/95/523651595.db2.gz	LSEOTUPCDOYPRJ-CYBMUJFWSA-N	1	0	356.430	1.309	20	30		FDEDRO
C[NH+]=C(NCc1ccc(S(N)(=O)=O)s1)NCc1sccc1C	ZINC000080667894	523895815	/nfs/dbraw/zinc/89/58/15/523895815.db2.gz	MKELUNRCHPFAJN-UHFFFAOYSA-N	1	0	358.514	1.631	20	30		FDEDRO
COc1ccc([C@H](C#N)N2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)cc1	ZINC000110612067	524109603	/nfs/dbraw/zinc/10/96/03/524109603.db2.gz	AKKRFNOOZFIBIN-OALUTQOASA-N	1	0	358.486	1.990	20	30		FDEDRO
COCCCN(Cc1cc(C#N)ccc1OC)[C@@H]1CCS(=O)(=O)C1	ZINC000121078670	524144400	/nfs/dbraw/zinc/14/44/00/524144400.db2.gz	GVQRAYJQFGUWOU-MRXNPFEDSA-N	1	0	352.456	1.592	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1	ZINC000081792628	524183020	/nfs/dbraw/zinc/18/30/20/524183020.db2.gz	DBOYUEUHPWYIGP-UHFFFAOYSA-N	1	0	352.438	1.783	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1	ZINC000172497226	524229079	/nfs/dbraw/zinc/22/90/79/524229079.db2.gz	OMHRIBHNDSEUJE-KRWDZBQOSA-N	1	0	372.469	1.889	20	30		FDEDRO
C[NH+]1CCN(Cc2ccc(CNS(=O)(=O)CCCC#N)cc2)CC1	ZINC000111329059	524260655	/nfs/dbraw/zinc/26/06/55/524260655.db2.gz	PPRSQOGSIOTKER-UHFFFAOYSA-N	1	0	350.488	1.157	20	30		FDEDRO
N#Cc1csc(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)c1	ZINC000084187848	524289735	/nfs/dbraw/zinc/28/97/35/524289735.db2.gz	MKHLOBBBRTVNKV-UHFFFAOYSA-N	1	0	370.482	1.742	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000142403031	524350725	/nfs/dbraw/zinc/35/07/25/524350725.db2.gz	OTTHPLMZMPAROM-INIZCTEOSA-N	1	0	363.483	1.461	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2nnc(CCCC(=O)OC)s2)CC1	ZINC000157966356	524376109	/nfs/dbraw/zinc/37/61/09/524376109.db2.gz	CDXFADKZBVLLEK-UHFFFAOYSA-N	1	0	350.444	1.318	20	30		FDEDRO
C[C@@H]1CN(C(C)(C)CNS(=O)(=O)c2ccccc2C#N)C[C@@H](C)O1	ZINC000121836224	524379493	/nfs/dbraw/zinc/37/94/93/524379493.db2.gz	QLRPHXWQBPLTJY-ZIAGYGMSSA-N	1	0	351.472	1.724	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1	ZINC000122018447	524433315	/nfs/dbraw/zinc/43/33/15/524433315.db2.gz	VAPZXFBHHUIZPG-SJLPKXTDSA-N	1	0	371.481	1.972	20	30		FDEDRO
CCC(=O)c1cccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1	ZINC000122175836	524470464	/nfs/dbraw/zinc/47/04/64/524470464.db2.gz	BESAFWRUVXJXAY-UHFFFAOYSA-N	1	0	358.442	1.912	20	30		FDEDRO
CC1CCN(C(=O)CO[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)CC1	ZINC000174126086	524517517	/nfs/dbraw/zinc/51/75/17/524517517.db2.gz	UZVJEVRWKJRGLK-UHFFFAOYSA-N	1	0	374.485	1.543	20	30		FDEDRO
C[NH+]1CCN(CCCCNS(=O)(=O)c2ccc(C#N)cc2F)CC1	ZINC000151063508	524520801	/nfs/dbraw/zinc/52/08/01/524520801.db2.gz	ZUDFTNOIFSWUOB-UHFFFAOYSA-N	1	0	354.451	1.003	20	30		FDEDRO
CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000174168794	524524264	/nfs/dbraw/zinc/52/42/64/524524264.db2.gz	LCMNFOYXZIEQHY-KRWDZBQOSA-N	1	0	352.442	1.882	20	30		FDEDRO
Cc1ccc(CNC(=O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)cc1F	ZINC000089942690	524553949	/nfs/dbraw/zinc/55/39/49/524553949.db2.gz	LOWJECLCILHASZ-UHFFFAOYSA-N	1	0	358.421	1.492	20	30		FDEDRO
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Cc1cccc(OCC#N)c1	ZINC000090011665	524571462	/nfs/dbraw/zinc/57/14/62/524571462.db2.gz	NCDCEJYRUYPRFA-UHFFFAOYSA-N	1	0	358.486	1.616	20	30		FDEDRO
CC[N@H+](CCNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C(C)C	ZINC000112928068	524602711	/nfs/dbraw/zinc/60/27/11/524602711.db2.gz	LSKBZPGMQVVNHV-UHFFFAOYSA-N	1	0	366.487	1.257	20	30		FDEDRO
CN1CC[NH+](CC2CCN(C(=O)CNc3cccc(C#N)c3)CC2)CC1	ZINC000159314106	524639979	/nfs/dbraw/zinc/63/99/79/524639979.db2.gz	IOCBHZNGHOPYCP-UHFFFAOYSA-N	1	0	355.486	1.456	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)n1	ZINC000091189120	524650669	/nfs/dbraw/zinc/65/06/69/524650669.db2.gz	VZUCGBUQDZPMDO-MRXNPFEDSA-N	1	0	368.441	1.693	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C#N	ZINC000174613187	524652650	/nfs/dbraw/zinc/65/26/50/524652650.db2.gz	WNLHOADTHIKIIX-GASCZTMLSA-N	1	0	358.442	1.421	20	30		FDEDRO
Cc1cc(N2CC[C@H]([NH2+]Cc3ccc(O[C@H](C)C#N)cc3)C2=O)n(C)n1	ZINC000174620367	524656555	/nfs/dbraw/zinc/65/65/55/524656555.db2.gz	PIGXWFIHLAOMPF-PBHICJAKSA-N	1	0	353.426	1.915	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)n1	ZINC000091209692	524662505	/nfs/dbraw/zinc/66/25/05/524662505.db2.gz	WWLVWHBDKZPSAA-CQSZACIVSA-N	1	0	374.489	1.901	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1	ZINC000113306223	524671538	/nfs/dbraw/zinc/67/15/38/524671538.db2.gz	FQMUDZABZOICFY-GOEBONIOSA-N	1	0	363.483	1.460	20	30		FDEDRO
CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N[C@H](C)CC#N)c2)CC1	ZINC000123102005	524680303	/nfs/dbraw/zinc/68/03/03/524680303.db2.gz	FRHGNNXUZWLNJG-OAHLLOKOSA-N	1	0	357.458	1.574	20	30		FDEDRO
C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1	ZINC000091281940	524689048	/nfs/dbraw/zinc/68/90/48/524689048.db2.gz	XMOQAPQPCHRSTL-AWEZNQCLSA-N	1	0	360.483	1.492	20	30		FDEDRO
Cc1oc(NC(=O)[C@H](C)N(C)CCC[NH+]2CCN(C)CC2)c(C#N)c1C	ZINC000174717128	524703251	/nfs/dbraw/zinc/70/32/51/524703251.db2.gz	OHAVBYZICJJDMN-HNNXBMFYSA-N	1	0	361.490	1.664	20	30		FDEDRO
COc1cc(C[NH2+]Cc2cnc3ccc(C#N)cn23)ccc1OCCO	ZINC000123388846	524744123	/nfs/dbraw/zinc/74/41/23/524744123.db2.gz	YDCHYFALENEXNM-UHFFFAOYSA-N	1	0	352.394	1.875	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1	ZINC000152105911	524781881	/nfs/dbraw/zinc/78/18/81/524781881.db2.gz	AMZXISPATFMFOJ-UHFFFAOYSA-N	1	0	369.469	1.641	20	30		FDEDRO
COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000174906045	524791314	/nfs/dbraw/zinc/79/13/14/524791314.db2.gz	OIVQXJGNVNSNMT-UHFFFAOYSA-N	1	0	372.347	1.210	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1	ZINC000114675234	524848208	/nfs/dbraw/zinc/84/82/08/524848208.db2.gz	SHBIYQLFXNSTJA-UHFFFAOYSA-N	1	0	366.487	1.259	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(S(=O)(=O)c3cc(C#N)ccc3C)CC2)c1	ZINC000114739955	524868004	/nfs/dbraw/zinc/86/80/04/524868004.db2.gz	VISBTYUHFDGZBE-UHFFFAOYSA-N	1	0	372.450	1.781	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3cc(C#N)ccc3C)C2)CC1	ZINC000114740153	524868600	/nfs/dbraw/zinc/86/86/00/524868600.db2.gz	BNJQPBZQSCAEQQ-QGZVFWFLSA-N	1	0	362.499	1.267	20	30		FDEDRO
C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@H]1CN(C)CCO1	ZINC000152388842	524870216	/nfs/dbraw/zinc/87/02/16/524870216.db2.gz	IIMRVSBEAFYKQS-QFBILLFUSA-N	1	0	373.501	1.351	20	30		FDEDRO
Cc1noc(CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000124000756	524877310	/nfs/dbraw/zinc/87/73/10/524877310.db2.gz	FXTCNFNFQLNEQU-UHFFFAOYSA-N	1	0	353.426	1.917	20	30		FDEDRO
N#CCCN(C(=O)CN1CC[NH+](C2CCOCC2)CC1)c1ccccc1	ZINC000175487308	524969167	/nfs/dbraw/zinc/96/91/67/524969167.db2.gz	DLOJKFUYOHNUPC-UHFFFAOYSA-N	1	0	356.470	1.730	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cc(Br)cn(C)c2=O)CC1	ZINC000175540919	524972387	/nfs/dbraw/zinc/97/23/87/524972387.db2.gz	NYUZWLZNIFNUTJ-UHFFFAOYSA-N	1	0	352.232	1.432	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1	ZINC000152767664	524998785	/nfs/dbraw/zinc/99/87/85/524998785.db2.gz	UFACEDCQEYJPHN-MRXNPFEDSA-N	1	0	358.442	1.442	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)cc1	ZINC000176001887	525040605	/nfs/dbraw/zinc/04/06/05/525040605.db2.gz	TVTQQGCETMMXJU-IBGZPJMESA-N	1	0	355.482	1.941	20	30		FDEDRO
CC[NH+]=C(NC[C@]1(O)CCc2ccccc21)N[C@@H]1CCN(C(=O)CC)C1	ZINC000161213218	525056631	/nfs/dbraw/zinc/05/66/31/525056631.db2.gz	VGZLYMYUNKRBDI-OXQOHEQNSA-N	1	0	358.486	1.386	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1	ZINC000161246595	525063793	/nfs/dbraw/zinc/06/37/93/525063793.db2.gz	VLZDXHXOLNRZOV-INIZCTEOSA-N	1	0	358.442	1.884	20	30		FDEDRO
CN(C)C(=O)C[NH+]=C(NCc1ccoc1)N[C@H]1CCOc2ccccc21	ZINC000176376970	525090221	/nfs/dbraw/zinc/09/02/21/525090221.db2.gz	IIUVGYQTKLQAPS-INIZCTEOSA-N	1	0	356.426	1.927	20	30		FDEDRO
N#Cc1c(Cl)cccc1S(=O)(=O)NCC1CC[NH+](CCO)CC1	ZINC000161407206	525102351	/nfs/dbraw/zinc/10/23/51/525102351.db2.gz	QAPOHUJJUFEPBG-UHFFFAOYSA-N	1	0	357.863	1.194	20	30		FDEDRO
C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000125119711	525145247	/nfs/dbraw/zinc/14/52/47/525145247.db2.gz	KCEHTYCMBRSOHA-BXKDBHETSA-N	1	0	358.261	1.821	20	30		FDEDRO
CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1	ZINC000161689017	525152206	/nfs/dbraw/zinc/15/22/06/525152206.db2.gz	AQGJAGJLBYMFJU-AWEZNQCLSA-N	1	0	371.890	1.583	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N2CCC(OCCC[NH+](C)C)CC2)c1C#N	ZINC000125162097	525153999	/nfs/dbraw/zinc/15/39/99/525153999.db2.gz	ALXNTAIYHQGBOQ-UHFFFAOYSA-N	1	0	365.499	1.988	20	30		FDEDRO
C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153276594	525164878	/nfs/dbraw/zinc/16/48/78/525164878.db2.gz	VVRQRFOUIFPPOV-ZDUSSCGKSA-N	1	0	372.448	1.614	20	30		FDEDRO
CC[NH+]=C(NCc1c(C)nn(C)c1C)N1CCO[C@@H](c2cnn(C)c2)C1	ZINC000153330271	525180172	/nfs/dbraw/zinc/18/01/72/525180172.db2.gz	VSHOUMOQVIRXME-QGZVFWFLSA-N	1	0	359.478	1.309	20	30		FDEDRO
CC1CC[NH+](C[C@@H](O)CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1	ZINC000125277404	525182503	/nfs/dbraw/zinc/18/25/03/525182503.db2.gz	HNQWKEZTHPEKDK-KRWDZBQOSA-N	1	0	359.470	1.925	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CNC(=O)N1CCc2ccccc2C1	ZINC000116735917	525199440	/nfs/dbraw/zinc/19/94/40/525199440.db2.gz	KKJFNACITBERAX-UHFFFAOYSA-N	1	0	371.485	1.448	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)NCCCc1ccccc1	ZINC000125468667	525201857	/nfs/dbraw/zinc/20/18/57/525201857.db2.gz	CDTWWEMUGSQWQX-UHFFFAOYSA-N	1	0	354.458	1.477	20	30		FDEDRO
C[NH+](C)CC(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1	ZINC000162214311	525227769	/nfs/dbraw/zinc/22/77/69/525227769.db2.gz	WOWLSBVNEXLCRG-OAHLLOKOSA-N	1	0	365.275	1.720	20	30		FDEDRO
C=C(C)C[N@@H+](CC)[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000125955395	525256195	/nfs/dbraw/zinc/25/61/95/525256195.db2.gz	IADZZOQMNAABCB-UONOGXRCSA-N	1	0	353.488	1.798	20	30		FDEDRO
CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cccc(Cl)c1C#N	ZINC000125985219	525259667	/nfs/dbraw/zinc/25/96/67/525259667.db2.gz	XJNMSMGAKSBUGZ-GFCCVEGCSA-N	1	0	359.879	1.847	20	30		FDEDRO
C#CCCCCNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1	ZINC000177369925	525279940	/nfs/dbraw/zinc/27/99/40/525279940.db2.gz	OGBHDKSYDRXUQI-UHFFFAOYSA-N	1	0	356.470	1.687	20	30		FDEDRO
Cc1cnc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)s1	ZINC000126462363	525315377	/nfs/dbraw/zinc/31/53/77/525315377.db2.gz	LOKRIOZAHASGHT-UHFFFAOYSA-N	1	0	371.466	1.852	20	30		FDEDRO
CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@@H]1CCC[N@H+](C)C1	ZINC000153792445	525324871	/nfs/dbraw/zinc/32/48/71/525324871.db2.gz	KEPXYYOUDQEZLO-OAHLLOKOSA-N	1	0	364.471	1.045	20	30		FDEDRO
C[NH+]=C(NCCC(=O)N1CCN(c2ccccc2)CC1)NCc1ccco1	ZINC000103338130	525348946	/nfs/dbraw/zinc/34/89/46/525348946.db2.gz	YXPIHCHNQCQUMU-UHFFFAOYSA-N	1	0	369.469	1.684	20	30		FDEDRO
C[NH+]=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NC1CC1	ZINC000103337568	525349625	/nfs/dbraw/zinc/34/96/25/525349625.db2.gz	BLJJIDFYXRVNMS-UHFFFAOYSA-N	1	0	350.488	1.689	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1	ZINC000178015100	525369964	/nfs/dbraw/zinc/36/99/64/525369964.db2.gz	WVYXZZGFBFCYSC-IRXDYDNUSA-N	1	0	372.469	1.530	20	30		FDEDRO
CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1	ZINC000163167964	525370285	/nfs/dbraw/zinc/37/02/85/525370285.db2.gz	IMMNOECFMRESPU-UHFFFAOYSA-N	1	0	358.442	1.838	20	30		FDEDRO
CC[NH+]=C(NCCN1CCc2sccc2C1)N1CCN(C(C)=O)CC1	ZINC000103893765	525379774	/nfs/dbraw/zinc/37/97/74/525379774.db2.gz	BZYSQILKZDJBSO-UHFFFAOYSA-N	1	0	363.531	1.236	20	30		FDEDRO
C[C@H](CNC(=[NH2+])NCCCN1CCOCC1)N1CCc2sccc2C1	ZINC000104173546	525398625	/nfs/dbraw/zinc/39/86/25/525398625.db2.gz	QGFGEBOVXFHMPM-OAHLLOKOSA-N	1	0	365.547	1.121	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1	ZINC000127433324	525421822	/nfs/dbraw/zinc/42/18/22/525421822.db2.gz	FCAHXIBBWVXBAX-MOPGFXCFSA-N	1	0	369.465	1.491	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1	ZINC000127434036	525422648	/nfs/dbraw/zinc/42/26/48/525422648.db2.gz	FCAHXIBBWVXBAX-RBUKOAKNSA-N	1	0	369.465	1.491	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1	ZINC000127731685	525455755	/nfs/dbraw/zinc/45/57/55/525455755.db2.gz	AWLYPSZRWJHHCO-GOEBONIOSA-N	1	0	365.499	1.706	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000118124678	525469977	/nfs/dbraw/zinc/46/99/77/525469977.db2.gz	PCLSDRMVIPZVDL-KRWDZBQOSA-N	1	0	372.469	1.653	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1cccc(OCCCC#N)c1)[N@H+](C)C1CC1	ZINC000118129855	525476110	/nfs/dbraw/zinc/47/61/10/525476110.db2.gz	PKQOWSHCDFDTCX-AWEZNQCLSA-N	1	0	358.442	1.907	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)CC1	ZINC000106039032	525554067	/nfs/dbraw/zinc/55/40/67/525554067.db2.gz	XBBQHQYMXNFINH-UHFFFAOYSA-N	1	0	370.453	1.509	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccc(=O)n(-c3ccccc3F)n2)CC1	ZINC000179753640	525623611	/nfs/dbraw/zinc/62/36/11/525623611.db2.gz	CAWLNFVXYQVJBD-UHFFFAOYSA-N	1	0	356.401	1.752	20	30		FDEDRO
C[NH+]=C(NCc1nc(C(C)C)cs1)NC[C@H]1CCCN1S(C)(=O)=O	ZINC000119088067	525632135	/nfs/dbraw/zinc/63/21/35/525632135.db2.gz	XENOMUGFHDFSQF-GFCCVEGCSA-N	1	0	373.548	1.356	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NC1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000180532986	525718151	/nfs/dbraw/zinc/71/81/51/525718151.db2.gz	ARGWLIMMLRERPG-MCPYQZEQSA-N	1	0	358.486	1.744	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1	ZINC000180544923	525720899	/nfs/dbraw/zinc/72/08/99/525720899.db2.gz	FOTVMAHDFXPELY-SFHVURJKSA-N	1	0	366.465	1.620	20	30		FDEDRO
N#Cc1ccc(C(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)[nH]1	ZINC000130191175	525730381	/nfs/dbraw/zinc/73/03/81/525730381.db2.gz	MZQUNWMUMJTZLD-UHFFFAOYSA-N	1	0	365.437	1.642	20	30		FDEDRO
C[NH+]1CCC(NS(=O)(=O)c2cc(Br)cc(C#N)c2)CC1	ZINC000155088235	525738591	/nfs/dbraw/zinc/73/85/91/525738591.db2.gz	ZRKVPGVBFMLZPG-UHFFFAOYSA-N	1	0	358.261	1.693	20	30		FDEDRO
CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)cc1	ZINC000181024640	525792322	/nfs/dbraw/zinc/79/23/22/525792322.db2.gz	BRJKADGUXMJZMS-GUYCJALGSA-N	1	0	366.487	1.300	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1	ZINC000181177509	525817268	/nfs/dbraw/zinc/81/72/68/525817268.db2.gz	YSZIVUJSYKEDOQ-UHFFFAOYSA-N	1	0	358.486	1.842	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@H]2CC(C)(C)OC2(C)C)CC1	ZINC000119667524	525820539	/nfs/dbraw/zinc/82/05/39/525820539.db2.gz	WHOBCUQESOQNKI-CVEARBPZSA-N	1	0	350.507	1.614	20	30		FDEDRO
C=CC[N@@H+](CCn1cnc2c1c(=O)n(C)c(=O)n2C)Cc1cccs1	ZINC000171129122	525862962	/nfs/dbraw/zinc/86/29/62/525862962.db2.gz	ONUPDLRJTMBPHX-UHFFFAOYSA-N	1	0	359.455	1.183	20	30		FDEDRO
C[C@@H](C1CC1)N(C(=O)CN1CCN(c2nccnc2C#N)C[C@H]1C)C1CC1	ZINC000155508567	525887075	/nfs/dbraw/zinc/88/70/75/525887075.db2.gz	RASNCGYUMZVQDR-CABCVRRESA-N	1	0	368.485	1.648	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCC[NH+]1CCC(C)CC1	ZINC000181665667	525887317	/nfs/dbraw/zinc/88/73/17/525887317.db2.gz	DUBDGCCBNRPKJK-HNNXBMFYSA-N	1	0	358.442	1.764	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1	ZINC000181731392	525910729	/nfs/dbraw/zinc/91/07/29/525910729.db2.gz	APWUFYPCUSYKNX-CQSZACIVSA-N	1	0	370.453	1.907	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(I)cn2)CC1	ZINC000132543531	525974689	/nfs/dbraw/zinc/97/46/89/525974689.db2.gz	PVZQRMJCHNKHGQ-UHFFFAOYSA-N	1	0	369.206	1.970	20	30		FDEDRO
COCCN(CCC#N)C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1	ZINC000132894661	526002000	/nfs/dbraw/zinc/00/20/00/526002000.db2.gz	RJYIOYBYDMMHBB-UHFFFAOYSA-N	1	0	372.469	1.652	20	30		FDEDRO
CCN1CCN(C(=O)CC2CCN(C(=O)CSCC#N)CC2)CC1	ZINC000108757956	526018352	/nfs/dbraw/zinc/01/83/52/526018352.db2.gz	XQXSJMJPOCOOOB-UHFFFAOYSA-N	1	0	352.504	1.036	20	30		FDEDRO
CC(C)[N@H+](C)CC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N	ZINC000109026618	526061591	/nfs/dbraw/zinc/06/15/91/526061591.db2.gz	WYOUBYKZIGLJQP-UHFFFAOYSA-N	1	0	372.448	1.854	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCC(=O)N(CC)Cc2ccccc2)CC1	ZINC000171724826	526095996	/nfs/dbraw/zinc/09/59/96/526095996.db2.gz	AVRYIXDSGMIWMY-UHFFFAOYSA-N	1	0	358.486	1.985	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CSCC(=O)Nc2cc(C)on2)CC1	ZINC000171726527	526096444	/nfs/dbraw/zinc/09/64/44/526096444.db2.gz	XCDARCFPTIIIHS-UHFFFAOYSA-N	1	0	352.460	1.421	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)NC)ccc2Cl)CC1	ZINC000171727122	526097128	/nfs/dbraw/zinc/09/71/28/526097128.db2.gz	YSKKSCQOOLEBBC-UHFFFAOYSA-N	1	0	371.890	1.628	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCCOc2cccc(NC(C)=O)c2)CC1	ZINC000171734689	526101264	/nfs/dbraw/zinc/10/12/64/526101264.db2.gz	OZGOJJBYXASIRZ-UHFFFAOYSA-N	1	0	360.458	1.973	20	30		FDEDRO
C[C@@H]1CN(CCCNS(=O)(=O)c2ccc(F)cc2C#N)C[C@H](C)O1	ZINC000156319203	526107219	/nfs/dbraw/zinc/10/72/19/526107219.db2.gz	GVLOJNKSTZWAKQ-BETUJISGSA-N	1	0	355.435	1.475	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000171853753	526152602	/nfs/dbraw/zinc/15/26/02/526152602.db2.gz	SCGKTKLWPXQTFI-QGZVFWFLSA-N	1	0	356.474	1.659	20	30		FDEDRO
CN(C)C(=O)C1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000182595259	535830043	/nfs/dbraw/zinc/83/00/43/535830043.db2.gz	TWDGMDQJKWTGJR-GOSISDBHSA-N	1	0	354.454	1.854	20	30		FDEDRO
C=C(C)CN(C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-]	ZINC000182867069	535877952	/nfs/dbraw/zinc/87/79/52/535877952.db2.gz	NGHLVMOZYMPXIO-UHFFFAOYSA-N	1	0	370.475	1.837	20	30		FDEDRO
COc1cccc([C@@H]2[C@H](NC(=O)N3CCO[C@H](C#N)C3)CC[N@@H+]2C2CC2)c1	ZINC000183766204	536046971	/nfs/dbraw/zinc/04/69/71/536046971.db2.gz	DHWJOODBWKUCDP-GUDVDZBRSA-N	1	0	370.453	1.907	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1	ZINC000184736829	536179817	/nfs/dbraw/zinc/17/98/17/536179817.db2.gz	BFIUGFCOOWTRPA-INIZCTEOSA-N	1	0	357.454	1.827	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H](C)CCN1CC[NH+](C)CC1	ZINC000185328666	536205612	/nfs/dbraw/zinc/20/56/12/536205612.db2.gz	LQKNEWAQSUELFR-HNNXBMFYSA-N	1	0	350.488	1.171	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNc1cc(N2CCN(C)C(=O)C2)ncn1)C(C)C	ZINC000185442122	536208601	/nfs/dbraw/zinc/20/86/01/536208601.db2.gz	FPVCOCNBCPRZLD-KRWDZBQOSA-N	1	0	372.517	1.866	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNc1cc(N2CCN(C)C(=O)C2)ncn1)C(C)C	ZINC000185442102	536208626	/nfs/dbraw/zinc/20/86/26/536208626.db2.gz	FPVCOCNBCPRZLD-QGZVFWFLSA-N	1	0	372.517	1.866	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](C)[NH+]1CCC(C)CC1	ZINC000185506662	536210470	/nfs/dbraw/zinc/21/04/70/536210470.db2.gz	LQNOIBATYJNNLE-CQSZACIVSA-N	1	0	351.472	1.966	20	30		FDEDRO
Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)c1cccc(C#N)c1	ZINC000186617117	536238678	/nfs/dbraw/zinc/23/86/78/536238678.db2.gz	XAIKHBYOYJRXBV-UHFFFAOYSA-N	1	0	361.471	1.758	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)CC1	ZINC000186769153	536243597	/nfs/dbraw/zinc/24/35/97/536243597.db2.gz	KVXWXPDLFDIJAV-UHFFFAOYSA-N	1	0	358.490	1.769	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)CC1(CO)CC1	ZINC000186827082	536245592	/nfs/dbraw/zinc/24/55/92/536245592.db2.gz	XXRNXPCIDGPVMS-HNNXBMFYSA-N	1	0	362.499	1.161	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)CC1	ZINC000187128559	536255373	/nfs/dbraw/zinc/25/53/73/536255373.db2.gz	WSMZEIMVYPMOMX-UHFFFAOYSA-N	1	0	368.481	1.639	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1[C@@H]2CC[C@H]1C[N@H+](CC)CC2	ZINC000187815036	536275041	/nfs/dbraw/zinc/27/50/41/536275041.db2.gz	MRWWSQAMBIOSIQ-CVEARBPZSA-N	1	0	355.438	1.722	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@]2(CO)CC[C@@H](C)C2)CC1	ZINC000187926403	536278082	/nfs/dbraw/zinc/27/80/82/536278082.db2.gz	IDUWEKOTAKMOJE-ZIFCJYIRSA-N	1	0	350.507	1.162	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1	ZINC000188034778	536280877	/nfs/dbraw/zinc/28/08/77/536280877.db2.gz	WIVWIJMTQUHACV-UHFFFAOYSA-N	1	0	372.469	1.717	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1	ZINC000188222513	536286474	/nfs/dbraw/zinc/28/64/74/536286474.db2.gz	GMZJXLSRLDGLGU-UHFFFAOYSA-N	1	0	361.417	1.719	20	30		FDEDRO
C[NH+]=C(NC[C@](C)(O)c1ccco1)N[C@H]1CCc2nnc(C(C)C)n2C1	ZINC000262822458	536911014	/nfs/dbraw/zinc/91/10/14/536911014.db2.gz	XHLMQTDBLWEDTO-UGSOOPFHSA-N	1	0	360.462	1.382	20	30		FDEDRO
C[NH+]=C(NCCc1nnc2n1CCCCC2)NCc1c(C)nn(C)c1C	ZINC000262840671	536916456	/nfs/dbraw/zinc/91/64/56/536916456.db2.gz	UKVMGNDTOULCRR-UHFFFAOYSA-N	1	0	358.494	1.263	20	30		FDEDRO
C[NH+]=C(NCCNC(=O)c1ccc(O)cc1)N[C@H]1CCOc2ccccc21	ZINC000262853333	536921207	/nfs/dbraw/zinc/92/12/07/536921207.db2.gz	XLYILRDGPMGWQI-KRWDZBQOSA-N	1	0	368.437	1.811	20	30		FDEDRO
COCC[N@H+]1[C@H](C)CN([C@H]2CCN(c3sccc3C#N)C2=O)C[C@@H]1C	ZINC000246508788	536969638	/nfs/dbraw/zinc/96/96/38/536969638.db2.gz	BQBGHVVJTAGVSL-LZWOXQAQSA-N	1	0	362.499	1.766	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1	ZINC000267397902	536975556	/nfs/dbraw/zinc/97/55/56/536975556.db2.gz	IKPXCFKHWATTSH-CABCVRRESA-N	1	0	361.417	1.765	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2ccc(F)cc2C#N)CCSC1	ZINC000267556068	536979087	/nfs/dbraw/zinc/97/90/87/536979087.db2.gz	LLRYBMOHYGHJRG-INIZCTEOSA-N	1	0	350.419	1.189	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCN(CC(F)(F)F)C1)N1CCN(C(C)=O)CC1	ZINC000263247387	537000985	/nfs/dbraw/zinc/00/09/85/537000985.db2.gz	NKPRECRXBWKJLF-AWEZNQCLSA-N	1	0	363.428	1.000	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@](C)(C(=O)OCC)c2ccccc2)CC1	ZINC000189170063	537007001	/nfs/dbraw/zinc/00/70/01/537007001.db2.gz	JPOANMQOHJVHCA-OAQYLSRUSA-N	1	0	356.466	1.969	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)N(CCOC)Cc2ccc(C#N)cc2)CC1	ZINC000263674725	537061039	/nfs/dbraw/zinc/06/10/39/537061039.db2.gz	LVOBBBMTSQCHHF-UHFFFAOYSA-N	1	0	358.486	1.561	20	30		FDEDRO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C1	ZINC000246989004	537064223	/nfs/dbraw/zinc/06/42/23/537064223.db2.gz	GMUJZOLVSIYLGK-INMHGKMJSA-N	1	0	371.489	1.297	20	30		FDEDRO
CC(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000263689305	537066405	/nfs/dbraw/zinc/06/64/05/537066405.db2.gz	GSRAEYANGWMIJV-ZWKOTPCHSA-N	1	0	359.470	1.782	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1CN1CCOCC1	ZINC000247266500	537101938	/nfs/dbraw/zinc/10/19/38/537101938.db2.gz	FPBZSZARASIPFE-VQTJNVASSA-N	1	0	360.498	1.951	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O	ZINC000264298239	537140844	/nfs/dbraw/zinc/14/08/44/537140844.db2.gz	YHMHDQVYJUZBHC-KRWDZBQOSA-N	1	0	360.433	1.873	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cccc(OCC#N)c2)CC1=O	ZINC000264385495	537143314	/nfs/dbraw/zinc/14/33/14/537143314.db2.gz	HATGHRGZKSKPGO-RDJZCZTQSA-N	1	0	370.453	1.860	20	30		FDEDRO
C=CCNC(=O)c1ccc(N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)nc1	ZINC000264878485	537149174	/nfs/dbraw/zinc/14/91/74/537149174.db2.gz	QNPNLRKRQCVHEB-SFHVURJKSA-N	1	0	357.502	1.604	20	30		FDEDRO
C#CCCNc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-]	ZINC000264978937	537150647	/nfs/dbraw/zinc/15/06/47/537150647.db2.gz	QQWUHFDZMQKAEV-UHFFFAOYSA-N	1	0	354.432	1.260	20	30		FDEDRO
CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000190265953	537159102	/nfs/dbraw/zinc/15/91/02/537159102.db2.gz	AGMLTXBBUDYSDC-SFHVURJKSA-N	1	0	371.485	1.641	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000248796724	537212987	/nfs/dbraw/zinc/21/29/87/537212987.db2.gz	PCQSCHWKOHPERV-ROUUACIJSA-N	1	0	369.469	1.443	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1	ZINC000192070127	537219558	/nfs/dbraw/zinc/21/95/58/537219558.db2.gz	ZMIRBDCEAOUILR-DZGCQCFKSA-N	1	0	355.797	1.911	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1	ZINC000249414552	537235092	/nfs/dbraw/zinc/23/50/92/537235092.db2.gz	VXEMIJNGXMNDEN-HZPDHXFCSA-N	1	0	350.507	1.495	20	30		FDEDRO
CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000252663611	537251203	/nfs/dbraw/zinc/25/12/03/537251203.db2.gz	RTUGQDAEFYFGRJ-NVXWUHKLSA-N	1	0	356.474	1.514	20	30		FDEDRO
C[NH+]=C(NCc1nccn1C(F)F)N1CCO[C@H](c2cnn(C)c2)C1	ZINC000261798126	537253100	/nfs/dbraw/zinc/25/31/00/537253100.db2.gz	RCSHEHRXZHACGG-LBPRGKRZSA-N	1	0	353.377	1.161	20	30		FDEDRO
COC(=O)c1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cn1	ZINC000194341106	537267251	/nfs/dbraw/zinc/26/72/51/537267251.db2.gz	IJHDPNQRZHVSEX-UHFFFAOYSA-N	1	0	366.421	1.944	20	30		FDEDRO
CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)Nc3ccc(C#N)cn3)C2)CC1	ZINC000292975831	537267659	/nfs/dbraw/zinc/26/76/59/537267659.db2.gz	CQOMFHPPRTURGA-KRWDZBQOSA-N	1	0	369.469	1.862	20	30		FDEDRO
C[NH+]1CCN(c2ccnc(-c3noc(C4(C#N)CCOCC4)n3)c2)CC1	ZINC000290159644	537274384	/nfs/dbraw/zinc/27/43/84/537274384.db2.gz	SRJRJISHJFDPTF-UHFFFAOYSA-N	1	0	354.414	1.455	20	30		FDEDRO
COc1ccc(C#N)cc1CN1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1	ZINC000363701908	537286398	/nfs/dbraw/zinc/28/63/98/537286398.db2.gz	AFGXNGANWFCWGL-KRWDZBQOSA-N	1	0	363.483	1.308	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3CC[NH+](CC4CC4)CC3)n2)c(F)c1	ZINC000363704377	537289250	/nfs/dbraw/zinc/28/92/50/537289250.db2.gz	GUTIVQHUBPQYBD-UHFFFAOYSA-N	1	0	368.416	2.443	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1	ZINC000272511650	537289902	/nfs/dbraw/zinc/28/99/02/537289902.db2.gz	OVPXZHKTHADASO-MELADBBJSA-N	1	0	368.478	1.622	20	30		FDEDRO
CN(CCN(C)S(=O)(=O)c1ccc(C#N)c(F)c1)C1CC[NH+](C)CC1	ZINC000293027002	537299504	/nfs/dbraw/zinc/29/95/04/537299504.db2.gz	PDZWALQLDWKVCQ-UHFFFAOYSA-N	1	0	368.478	1.344	20	30		FDEDRO
C[C@](CO)([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C1CCCCC1	ZINC000290280796	537310994	/nfs/dbraw/zinc/31/09/94/537310994.db2.gz	MEFKYNJJSGRZEP-QGZVFWFLSA-N	1	0	351.472	1.648	20	30		FDEDRO
C#CCN(C(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1)C1CC1	ZINC000276184686	537323736	/nfs/dbraw/zinc/32/37/36/537323736.db2.gz	XXICMHRGCMLSRP-UHFFFAOYSA-N	1	0	357.479	1.798	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C	ZINC000283181622	537359158	/nfs/dbraw/zinc/35/91/58/537359158.db2.gz	DZODRUZZXCFRHG-SQNIBIBYSA-N	1	0	359.470	1.503	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNC(=O)C(=O)Nc2ccc(C#N)cc2)ccn1	ZINC000270691061	537366559	/nfs/dbraw/zinc/36/65/59/537366559.db2.gz	RGTDGBPLOJGQMV-UHFFFAOYSA-N	1	0	367.409	1.149	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1	ZINC000363962803	537376746	/nfs/dbraw/zinc/37/67/46/537376746.db2.gz	KKGNTRZVPCBGKO-MSOLQXFVSA-N	1	0	354.454	1.650	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC(c3ccc(OC)c(F)c3)=NO2)CC1	ZINC000283502747	537379437	/nfs/dbraw/zinc/37/94/37/537379437.db2.gz	KLNGUBLLRAKYHZ-INIZCTEOSA-N	1	0	373.428	1.789	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cnccc1-c1cccc(F)c1	ZINC000293195627	537383770	/nfs/dbraw/zinc/38/37/70/537383770.db2.gz	ADYLABPOLWKBGA-UHFFFAOYSA-N	1	0	368.412	1.898	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1	ZINC000293197292	537384516	/nfs/dbraw/zinc/38/45/16/537384516.db2.gz	LJDADIMBYPDKPR-LJQANCHMSA-N	1	0	359.401	1.330	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)NCC1(CCOC)CC1)C(C)C	ZINC000283897637	537389380	/nfs/dbraw/zinc/38/93/80/537389380.db2.gz	FOOZJUGPYLRLAO-KRWDZBQOSA-N	1	0	365.518	1.734	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)CCc2ccc(O)cc2)CC1	ZINC000283931790	537394722	/nfs/dbraw/zinc/39/47/22/537394722.db2.gz	JMZJASIMNPHYNR-INIZCTEOSA-N	1	0	373.497	1.986	20	30		FDEDRO
N#CC1(c2ccc(C(=O)N3CCC(O)(C[NH+]4CCOCC4)CC3)cc2)CC1	ZINC000364946298	537401142	/nfs/dbraw/zinc/40/11/42/537401142.db2.gz	UCZWYWAXFKGVBK-UHFFFAOYSA-N	1	0	369.465	1.541	20	30		FDEDRO
C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1	ZINC000273366450	537436914	/nfs/dbraw/zinc/43/69/14/537436914.db2.gz	BGNLKBAWPPFXRL-ZDUSSCGKSA-N	1	0	369.849	1.272	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)c(OC)c1	ZINC000299096873	537441712	/nfs/dbraw/zinc/44/17/12/537441712.db2.gz	PMKOFTHALYYUCI-QZTJIDSGSA-N	1	0	374.481	1.906	20	30		FDEDRO
CN1CC[NH+](C[C@H]2CCCN(C(=O)Cc3ccc(OCC#N)cc3)C2)CC1	ZINC000365222518	537454972	/nfs/dbraw/zinc/45/49/72/537454972.db2.gz	ITXOSLLYBKVKTC-LJQANCHMSA-N	1	0	370.497	1.617	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(C)c(C(=O)NC(C)C)c1	ZINC000293435462	537458307	/nfs/dbraw/zinc/45/83/07/537458307.db2.gz	REPDMYJQRILGKY-UHFFFAOYSA-N	1	0	372.469	1.143	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1nc(Cc2ccccc2)cs1	ZINC000293439359	537461418	/nfs/dbraw/zinc/46/14/18/537461418.db2.gz	RKBFFFFSDQYTBH-UHFFFAOYSA-N	1	0	370.478	1.744	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)c3nccn3c2)CC1	ZINC000293446983	537465764	/nfs/dbraw/zinc/46/57/64/537465764.db2.gz	PWCZDEIPJRNCLW-UHFFFAOYSA-N	1	0	355.442	1.738	20	30		FDEDRO
C=CCC[N@@H+](C)CC(=O)N(CCCC)c1c(N)n(CCC)c(=O)[nH]c1=O	ZINC000276397167	537475958	/nfs/dbraw/zinc/47/59/58/537475958.db2.gz	KAIGIZZXXMVTMO-UHFFFAOYSA-N	1	0	365.478	1.582	20	30		FDEDRO
CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000290950134	537488004	/nfs/dbraw/zinc/48/80/04/537488004.db2.gz	MMURPEPVEKHMLG-MRXNPFEDSA-N	1	0	358.490	1.905	20	30		FDEDRO
C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1	ZINC000281184274	537512372	/nfs/dbraw/zinc/51/23/72/537512372.db2.gz	RPUQVRCYIRUFKS-ONGXEEELSA-N	1	0	363.277	1.684	20	30		FDEDRO
C[C@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)[C@H](c1ccccc1)[NH+](C)C	ZINC000274688033	537528821	/nfs/dbraw/zinc/52/88/21/537528821.db2.gz	KZFAYLSDCYNMLC-NFICGAQRSA-N	1	0	370.453	1.711	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(C)C	ZINC000281497719	537553097	/nfs/dbraw/zinc/55/30/97/537553097.db2.gz	HQSBUVGBEUMXED-QGZVFWFLSA-N	1	0	365.499	1.762	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc(OC)c1	ZINC000275732672	537559581	/nfs/dbraw/zinc/55/95/81/537559581.db2.gz	AAPCCJYORXAPHY-UHFFFAOYSA-N	1	0	362.430	1.336	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1	ZINC000281781080	537581788	/nfs/dbraw/zinc/58/17/88/537581788.db2.gz	NAKFMSXOCCQDKV-DLBZAZTESA-N	1	0	366.487	1.128	20	30		FDEDRO
COc1ccc([C@@H](C[NH+](C)C)NC(=O)C(=O)Nc2sccc2C#N)cc1	ZINC000293774055	537586794	/nfs/dbraw/zinc/58/67/94/537586794.db2.gz	SKNKSYZCDALICQ-OAHLLOKOSA-N	1	0	372.450	1.986	20	30		FDEDRO
Cc1ccc(-c2cnc(CNC(=[NH2+])NCCCN3CCOCC3)o2)cc1	ZINC000304807760	537598572	/nfs/dbraw/zinc/59/85/72/537598572.db2.gz	UATUPVBVBSCQCL-UHFFFAOYSA-N	1	0	357.458	1.777	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)CC1	ZINC000285123527	537620784	/nfs/dbraw/zinc/62/07/84/537620784.db2.gz	NXNHXBCWCOWTRE-RTBURBONSA-N	1	0	371.481	1.790	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1	ZINC000293973320	537633204	/nfs/dbraw/zinc/63/32/04/537633204.db2.gz	MIBMPUVFVKVJHA-UHFFFAOYSA-N	1	0	351.472	1.058	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cnn(-c4ccccc4)c3)CC2)C1=O	ZINC000329176498	537635955	/nfs/dbraw/zinc/63/59/55/537635955.db2.gz	MMCVASOWWNDKHP-GOSISDBHSA-N	1	0	367.453	1.872	20	30		FDEDRO
CN(C[C@@H]1CCCC[C@@H]1O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000329420727	537636565	/nfs/dbraw/zinc/63/65/65/537636565.db2.gz	GYOMIPMTSTZOEY-XOYOTBSWSA-N	1	0	353.507	1.761	20	30		FDEDRO
CN(C)c1nccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1	ZINC000329418522	537636574	/nfs/dbraw/zinc/63/65/74/537636574.db2.gz	ZSKMSRXZOMWKCQ-WMLDXEAASA-N	1	0	358.490	1.905	20	30		FDEDRO
CN(C)c1nccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1	ZINC000329418521	537637104	/nfs/dbraw/zinc/63/71/04/537637104.db2.gz	ZSKMSRXZOMWKCQ-RHSMWYFYSA-N	1	0	358.490	1.905	20	30		FDEDRO
CON(C)C(=O)C1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000291597313	537637672	/nfs/dbraw/zinc/63/76/72/537637672.db2.gz	BSKXWXLHPFOCGO-GOSISDBHSA-N	1	0	370.453	1.785	20	30		FDEDRO
Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)C2)nn1	ZINC000329711324	537642096	/nfs/dbraw/zinc/64/20/96/537642096.db2.gz	OKSDODIQWZPRMI-RDJZCZTQSA-N	1	0	358.490	1.908	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C[C@@H](NC(C)=O)c1ccc(F)cc1F	ZINC000294024487	537644067	/nfs/dbraw/zinc/64/40/67/537644067.db2.gz	QWSVXLAEUFJXAP-QGZVFWFLSA-N	1	0	351.397	1.603	20	30		FDEDRO
CC(=O)N1CCC[C@H](CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1	ZINC000330007618	537649338	/nfs/dbraw/zinc/64/93/38/537649338.db2.gz	DSLARXNVKSILGL-GOSISDBHSA-N	1	0	366.506	1.203	20	30		FDEDRO
Cc1[nH]c(=O)sc1S(=O)(=O)NCCNC(=O)[C@H]1CCC[N@@H+]1C1CC1	ZINC000330228010	537653220	/nfs/dbraw/zinc/65/32/20/537653220.db2.gz	PMESXWNRFODISD-LLVKDONJSA-N	1	0	374.488	1.019	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@@H](O)C23CCCC3)CC1	ZINC000330356921	537654593	/nfs/dbraw/zinc/65/45/93/537654593.db2.gz	SFLTZEKRZFBQIR-IAGOWNOFSA-N	1	0	352.523	1.553	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1	ZINC000285341934	537689024	/nfs/dbraw/zinc/68/90/24/537689024.db2.gz	UUTFWALLRKOEFA-GOSISDBHSA-N	1	0	355.482	1.844	20	30		FDEDRO
CCOC(=O)[C@@](C)(O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000285433713	537710778	/nfs/dbraw/zinc/71/07/78/537710778.db2.gz	HOKJIJXJWFWSEV-SFHVURJKSA-N	1	0	350.390	1.855	20	30		FDEDRO
C[C@@H](c1ccccc1)[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)C(N)=O	ZINC000292237331	537720663	/nfs/dbraw/zinc/72/06/63/537720663.db2.gz	PYFWNCYGSMOOCR-YJBOKZPZSA-N	1	0	356.470	1.918	20	30		FDEDRO
C=C[C@H](CO)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1	ZINC000292572644	537745926	/nfs/dbraw/zinc/74/59/26/537745926.db2.gz	FWWGNVAIXIETGK-QRVBRYPASA-N	1	0	354.454	1.299	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCc2cc(F)cc(F)c2)CC1	ZINC000285754922	537756031	/nfs/dbraw/zinc/75/60/31/537756031.db2.gz	DBSUFPFYXWXVGB-UHFFFAOYSA-N	1	0	365.424	1.780	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@H]2CCCN(Cc3ccccc3)C2=O)CC1	ZINC000371182874	537767363	/nfs/dbraw/zinc/76/73/63/537767363.db2.gz	GJXHGGSGHOQDCW-IBGZPJMESA-N	1	0	353.466	1.639	20	30		FDEDRO
CN(CCC#N)C(=O)CCN1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21	ZINC000404199782	537804324	/nfs/dbraw/zinc/80/43/24/537804324.db2.gz	PFKSJQXTZLJRTG-UXHICEINSA-N	1	0	370.497	1.724	20	30		FDEDRO
N#Cc1cccc(CS(=O)(=O)N2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)c1	ZINC000366653416	537810598	/nfs/dbraw/zinc/81/05/98/537810598.db2.gz	MYAJUAUFALWCRN-MSOLQXFVSA-N	1	0	363.483	1.309	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1	ZINC000366679309	537821576	/nfs/dbraw/zinc/82/15/76/537821576.db2.gz	NHIHOMWCIIWGIZ-OALUTQOASA-N	1	0	364.534	1.637	20	30		FDEDRO
CC1(C[NH+]2CCOCC2)CCN(CC(=O)Nc2sccc2C#N)CC1	ZINC000371372251	537825918	/nfs/dbraw/zinc/82/59/18/537825918.db2.gz	FVLWJXUMHFTAFO-UHFFFAOYSA-N	1	0	362.499	1.993	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000409517287	537858815	/nfs/dbraw/zinc/85/88/15/537858815.db2.gz	ZHOHQROXDIJLSX-FUHWJXTLSA-N	1	0	364.515	1.967	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000409553967	537859780	/nfs/dbraw/zinc/85/97/80/537859780.db2.gz	OKXCQAYBPMADHE-NVXWUHKLSA-N	1	0	350.488	1.577	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000409553966	537859960	/nfs/dbraw/zinc/85/99/60/537859960.db2.gz	OKXCQAYBPMADHE-DOTOQJQBSA-N	1	0	350.488	1.577	20	30		FDEDRO
N#Cc1cccc(-n2ccc(C(=O)NCCC[NH+]3CCC(O)CC3)n2)c1	ZINC000409802900	537874875	/nfs/dbraw/zinc/87/48/75/537874875.db2.gz	HOMHRLQIIAVMOE-UHFFFAOYSA-N	1	0	353.426	1.321	20	30		FDEDRO
C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)n1cnc(C#N)n1	ZINC000409806791	537875862	/nfs/dbraw/zinc/87/58/62/537875862.db2.gz	JBGRAPPPEWTLAV-HLLBOEOZSA-N	1	0	352.442	1.880	20	30		FDEDRO
CN1CC[NH+](C[C@@H]2CCCN(C(=O)NCC3CCC(C#N)CC3)C2)CC1	ZINC000367016332	537916524	/nfs/dbraw/zinc/91/65/24/537916524.db2.gz	JHDSTZMTKULIRJ-ACBHZAAOSA-N	1	0	361.534	1.985	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C[NH3+])C2CC2)cc1	ZINC000414885545	537931663	/nfs/dbraw/zinc/93/16/63/537931663.db2.gz	BXWGKRYZOWGHLG-OAHLLOKOSA-N	1	0	352.460	1.352	20	30		FDEDRO
N#CC1(NC(=O)C[C@@H]2CCCC(=O)N2)CC[NH+](Cc2ccccc2)CC1	ZINC000367992229	537972087	/nfs/dbraw/zinc/97/20/87/537972087.db2.gz	BEOWNFMVFJAFLV-KRWDZBQOSA-N	1	0	354.454	1.720	20	30		FDEDRO
CN1CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3cccnc3)C2)C[C@H]1C#N	ZINC000368401488	537979851	/nfs/dbraw/zinc/97/98/51/537979851.db2.gz	CZUTVCXMHOTAPH-QZTJIDSGSA-N	1	0	356.474	1.143	20	30		FDEDRO
COCCC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(CC#N)cc2)CC1	ZINC000368919049	537994123	/nfs/dbraw/zinc/99/41/23/537994123.db2.gz	AVOWIWXNLCFTQQ-UHFFFAOYSA-N	1	0	358.442	1.262	20	30		FDEDRO
C[C@H](CO)[N@@H+]1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1	ZINC000368970865	537995206	/nfs/dbraw/zinc/99/52/06/537995206.db2.gz	ACENGPTWMOHWRO-MSOLQXFVSA-N	1	0	358.486	1.710	20	30		FDEDRO
CN(C(=O)C[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1)C1(C#N)CCCCC1	ZINC000372692812	538003112	/nfs/dbraw/zinc/00/31/12/538003112.db2.gz	IKDOOHWNALWVBW-MSOLQXFVSA-N	1	0	362.518	1.904	20	30		FDEDRO
C[N@H+](CCCNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)Cc1ccccc1	ZINC000369233239	538007248	/nfs/dbraw/zinc/00/72/48/538007248.db2.gz	SBDQHFYXOASGAD-IBGZPJMESA-N	1	0	355.486	1.890	20	30		FDEDRO
Cc1cc(NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c(C#N)cc1N(C)C	ZINC000417159553	538014203	/nfs/dbraw/zinc/01/42/03/538014203.db2.gz	ORUQZGNBOVEUMX-MRXNPFEDSA-N	1	0	359.474	1.901	20	30		FDEDRO
C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000415418929	538036178	/nfs/dbraw/zinc/03/61/78/538036178.db2.gz	SZIFDNRTTRSBNE-HNNXBMFYSA-N	1	0	350.422	1.392	20	30		FDEDRO
C[C@@H]1CN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C[C@@]1(C)C[NH3+]	ZINC000415452243	538056094	/nfs/dbraw/zinc/05/60/94/538056094.db2.gz	YEUYEAHZRLTADV-KZULUSFZSA-N	1	0	356.405	2.332	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)NC[C@@H]3CCC[C@H]([NH3+])C3)CC2)cc1	ZINC000418721861	538100492	/nfs/dbraw/zinc/10/04/92/538100492.db2.gz	MMKYGVSIIPICFZ-MOPGFXCFSA-N	1	0	355.486	1.903	20	30		FDEDRO
C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000423621439	538123443	/nfs/dbraw/zinc/12/34/43/538123443.db2.gz	YBLJSKOXMSZCFZ-MRXNPFEDSA-N	1	0	370.453	1.138	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(C(=O)N=c2cc(C)n(CCC#N)[nH]2)CC1	ZINC000432277686	538131863	/nfs/dbraw/zinc/13/18/63/538131863.db2.gz	SLKYVEZUPKWNDD-UHFFFAOYSA-N	1	0	369.429	1.863	20	30		FDEDRO
COC(=O)c1ccccc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000438763537	538133167	/nfs/dbraw/zinc/13/31/67/538133167.db2.gz	KOVTYRYIHRTKIE-UHFFFAOYSA-N	1	0	360.414	1.106	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1	ZINC000419906248	538140823	/nfs/dbraw/zinc/14/08/23/538140823.db2.gz	WPHLVZIXGPTUSA-QAPCUYQASA-N	1	0	372.469	1.038	20	30		FDEDRO
CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000419973591	538171991	/nfs/dbraw/zinc/17/19/91/538171991.db2.gz	JJXIMJBLUCWTBZ-QGZVFWFLSA-N	1	0	358.442	1.028	20	30		FDEDRO
C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000439356046	538173296	/nfs/dbraw/zinc/17/32/96/538173296.db2.gz	UDWFCZYLOCRNQD-LLVKDONJSA-N	1	0	366.368	1.651	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1	ZINC000419982431	538174021	/nfs/dbraw/zinc/17/40/21/538174021.db2.gz	TXDWCPRPOZBAHC-INIZCTEOSA-N	1	0	354.454	1.579	20	30		FDEDRO
CCOC(=O)[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CC12COC2	ZINC000451133589	538192766	/nfs/dbraw/zinc/19/27/66/538192766.db2.gz	JWESCVUILVAUOJ-MRXNPFEDSA-N	1	0	357.410	1.398	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000420108135	538221173	/nfs/dbraw/zinc/22/11/73/538221173.db2.gz	BUHVBQWZIOUKMO-KDOFPFPSSA-N	1	0	370.453	1.042	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cnn(C)c2C(F)(F)F)CC1	ZINC000445093612	538224058	/nfs/dbraw/zinc/22/40/58/538224058.db2.gz	PRVNZHWFPLUMLA-UHFFFAOYSA-N	1	0	373.379	1.534	20	30		FDEDRO
COCCNC(=O)c1ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc1Cl	ZINC000424090724	538231474	/nfs/dbraw/zinc/23/14/74/538231474.db2.gz	KZBOFEIMDHODIN-AWEZNQCLSA-N	1	0	352.822	1.676	20	30		FDEDRO
CC[C@@]1(c2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc2)CCC(=O)NC1=O	ZINC000424089161	538231810	/nfs/dbraw/zinc/23/18/10/538231810.db2.gz	VJFJBKDEAZFQKP-KXBFYZLASA-N	1	0	356.426	1.731	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NCc1cc(Cl)ccc1N1CCOCC1	ZINC000424177478	538248843	/nfs/dbraw/zinc/24/88/43/538248843.db2.gz	UQBKSDQJWHJQPP-OAHLLOKOSA-N	1	0	350.850	1.814	20	30		FDEDRO
COc1cc(C[NH2+]CCN2CCN(C(=O)C3CCC3)CC2)ccc1C#N	ZINC000440608449	538261636	/nfs/dbraw/zinc/26/16/36/538261636.db2.gz	APCJQRIEWLTOJN-UHFFFAOYSA-N	1	0	356.470	1.601	20	30		FDEDRO
COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000451593180	538283500	/nfs/dbraw/zinc/28/35/00/538283500.db2.gz	RZDNBROKKCOLAH-IKGGRYGDSA-N	1	0	364.490	1.000	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1	ZINC000428823902	538318524	/nfs/dbraw/zinc/31/85/24/538318524.db2.gz	ZBNGNLJTURRXAR-IRXDYDNUSA-N	1	0	368.499	1.121	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)nn1	ZINC000424632269	538334822	/nfs/dbraw/zinc/33/48/22/538334822.db2.gz	UAPPBTQCZDMKFH-IRXDYDNUSA-N	1	0	360.506	1.485	20	30		FDEDRO
C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@@H](C#N)C1	ZINC000420971672	538368685	/nfs/dbraw/zinc/36/86/85/538368685.db2.gz	IQDHBODZJHCFDX-TZMCWYRMSA-N	1	0	352.416	1.497	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(C#N)c(O)c3)cn2)CC1	ZINC000442728319	538372056	/nfs/dbraw/zinc/37/20/56/538372056.db2.gz	DNKXUECZQKSCFA-UHFFFAOYSA-N	1	0	365.437	1.731	20	30		FDEDRO
C=CCC[C@H](O)C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000420975053	538372223	/nfs/dbraw/zinc/37/22/23/538372223.db2.gz	PXAJHEHXLBVCDE-AWEZNQCLSA-N	1	0	357.432	1.132	20	30		FDEDRO
C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C1CCN(CCO)CC1	ZINC000435139317	538382890	/nfs/dbraw/zinc/38/28/90/538382890.db2.gz	NPHAJCQBALBRNI-UHFFFAOYSA-N	1	0	368.485	1.747	20	30		FDEDRO
C=CCN(C(=O)C[NH2+]C[C@@H]1CCCO1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000430528447	538390513	/nfs/dbraw/zinc/39/05/13/538390513.db2.gz	YDCJSAJXKPEKDK-QAPCUYQASA-N	1	0	370.457	1.507	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2CCO)c1	ZINC000453824510	538459389	/nfs/dbraw/zinc/45/93/89/538459389.db2.gz	TUUAUFFKDFDHOJ-INIZCTEOSA-N	1	0	361.442	1.153	20	30		FDEDRO
N#Cc1ccc([C@H](Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)C(N)=O)cc1	ZINC000461090464	538502786	/nfs/dbraw/zinc/50/27/86/538502786.db2.gz	SXRLYSRSTMDSOK-MOPGFXCFSA-N	1	0	350.422	1.763	20	30		FDEDRO
COc1cc(C[NH2+]CCc2cccc(C#N)c2)cc(OC)c1OCC(N)=O	ZINC000466418263	538543358	/nfs/dbraw/zinc/54/33/58/538543358.db2.gz	WMNUMPDWCHVYRE-UHFFFAOYSA-N	1	0	369.421	1.772	20	30		FDEDRO
C=CCC[N@@H+](C)CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1	ZINC000467282978	538639344	/nfs/dbraw/zinc/63/93/44/538639344.db2.gz	FYEKFLSXRHWMSN-UHFFFAOYSA-N	1	0	362.449	1.416	20	30		FDEDRO
COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@H](C)n2cnc(C#N)n2)cc1	ZINC000467502242	538652954	/nfs/dbraw/zinc/65/29/54/538652954.db2.gz	BXQOENFNYBKZIV-YOEHRIQHSA-N	1	0	368.441	1.673	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(N(C)C(C)=O)c2)CC1	ZINC000467660746	538673552	/nfs/dbraw/zinc/67/35/52/538673552.db2.gz	XXXDSCMTVDSGSZ-UHFFFAOYSA-N	1	0	358.442	1.374	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(CC(=O)NCc2ccc(C#N)cc2)CC1	ZINC000483194817	538684990	/nfs/dbraw/zinc/68/49/90/538684990.db2.gz	AGHKPUCVPBAJOK-UHFFFAOYSA-N	1	0	365.437	1.400	20	30		FDEDRO
C=CCN(C(=O)[C@@H]([NH3+])CC(F)F)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000498216163	538815047	/nfs/dbraw/zinc/81/50/47/538815047.db2.gz	NBANLPPBUHTFDP-RISCZKNCSA-N	1	0	350.373	1.720	20	30		FDEDRO
C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)N1CCC(C#N)CC1)c1ccccc1	ZINC000561345338	545811049	/nfs/dbraw/zinc/81/10/49/545811049.db2.gz	VNIMJNWLGAOPPN-OAHLLOKOSA-N	1	0	356.470	1.994	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@H](OCC)C23CCCC3)CC1	ZINC000561414804	545838184	/nfs/dbraw/zinc/83/81/84/545838184.db2.gz	ODMYPUPKYQNTRB-IRXDYDNUSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1	ZINC000561415187	545839869	/nfs/dbraw/zinc/83/98/69/545839869.db2.gz	MQQXCEGAXWQRIO-RDJZCZTQSA-N	1	0	365.518	1.711	20	30		FDEDRO
Cc1nnc2n1C[C@@H](C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)CC2	ZINC000561507078	545878950	/nfs/dbraw/zinc/87/89/50/545878950.db2.gz	REWIUVIYDXEVEW-IAGOWNOFSA-N	1	0	355.442	1.245	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000561728810	545938325	/nfs/dbraw/zinc/93/83/25/545938325.db2.gz	GBMDKXCUCZRSGF-UHFFFAOYSA-N	1	0	358.895	1.373	20	30		FDEDRO
N#CC1(NC(=O)[C@@H]2OC[C@H]3COCC[C@H]32)CC[NH+](Cc2ccccc2)CC1	ZINC000562291290	546080485	/nfs/dbraw/zinc/08/04/85/546080485.db2.gz	OKSNUDXUSJTBKU-GUDVDZBRSA-N	1	0	369.465	1.712	20	30		FDEDRO
CN1CC[NH+](CCCCNc2ncc(Br)cc2C#N)CC1	ZINC000562690133	546226354	/nfs/dbraw/zinc/22/63/54/546226354.db2.gz	OKMSJEPHVGTZSC-UHFFFAOYSA-N	1	0	352.280	2.155	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](c2ccccc2)[C@H]2CCOC2)CC1	ZINC000562869424	546301519	/nfs/dbraw/zinc/30/15/19/546301519.db2.gz	NBNILXXSKCDKKM-HKUYNNGSSA-N	1	0	371.481	1.647	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)CC[N@@H+]1C	ZINC000562880801	546303730	/nfs/dbraw/zinc/30/37/30/546303730.db2.gz	RRWVBZAAHVLMHK-CVEARBPZSA-N	1	0	369.469	1.064	20	30		FDEDRO
C[C@@H](COc1cccc(F)c1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000562987912	546343182	/nfs/dbraw/zinc/34/31/82/546343182.db2.gz	UVUYPECFLDJDKT-ZDUSSCGKSA-N	1	0	363.414	1.923	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1	ZINC000562995936	546347100	/nfs/dbraw/zinc/34/71/00/546347100.db2.gz	MYMGMYIVLAWVNY-CABCVRRESA-N	1	0	368.428	1.663	20	30		FDEDRO
CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1	ZINC000563038494	546367009	/nfs/dbraw/zinc/36/70/09/546367009.db2.gz	MNYHIGUZMVBVPI-KRWDZBQOSA-N	1	0	371.485	1.353	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)s1	ZINC000563445606	546539047	/nfs/dbraw/zinc/53/90/47/546539047.db2.gz	HYJCHSXHJJJBQX-HIFRSBDPSA-N	1	0	355.485	1.527	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1	ZINC000563463161	546546461	/nfs/dbraw/zinc/54/64/61/546546461.db2.gz	STMNMNWOPPHMKY-CQSZACIVSA-N	1	0	370.453	1.838	20	30		FDEDRO
CN(C(=O)CN1CCC(CO)([NH2+]CC2CC2)CC1)C1(C#N)CCCCC1	ZINC000565049368	547174206	/nfs/dbraw/zinc/17/42/06/547174206.db2.gz	PGSYCDAFEAYIHS-UHFFFAOYSA-N	1	0	362.518	1.498	20	30		FDEDRO
N#Cc1cccc(NC(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1	ZINC000565357019	547318220	/nfs/dbraw/zinc/31/82/20/547318220.db2.gz	FYURYEDNWMYBTE-RDJZCZTQSA-N	1	0	355.442	1.670	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)cc1	ZINC000566125085	547615802	/nfs/dbraw/zinc/61/58/02/547615802.db2.gz	PBJLUOLVQFGYRK-WDYCEAGBSA-N	1	0	355.394	1.518	20	30		FDEDRO
Cc1oc(NC(=O)[C@H](C)N2CCC(CO)([NH2+]CC3CC3)CC2)c(C#N)c1C	ZINC000566306268	547704408	/nfs/dbraw/zinc/70/44/08/547704408.db2.gz	KUGMGUPNFMEVMY-AWEZNQCLSA-N	1	0	374.485	1.922	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000566350241	547725847	/nfs/dbraw/zinc/72/58/47/547725847.db2.gz	HZZLDCQXAYVGAO-QGZVFWFLSA-N	1	0	361.511	1.803	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccc(CC#N)cc3)CC[C@H]21	ZINC000566738575	547870005	/nfs/dbraw/zinc/87/00/05/547870005.db2.gz	YVBALDNGAIBSPR-QZTJIDSGSA-N	1	0	354.454	1.312	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1	ZINC000566832398	547900643	/nfs/dbraw/zinc/90/06/43/547900643.db2.gz	SGOJTPUMNKHCPP-KRWDZBQOSA-N	1	0	357.458	1.990	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1=O	ZINC000567345669	548085747	/nfs/dbraw/zinc/08/57/47/548085747.db2.gz	PQSZGUNTUWFCJT-CVEARBPZSA-N	1	0	350.850	1.241	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1	ZINC000567728348	548231965	/nfs/dbraw/zinc/23/19/65/548231965.db2.gz	RDZWZXCWZIFBEG-ROUUACIJSA-N	1	0	351.491	1.721	20	30		FDEDRO
CC(C)n1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1	ZINC000567846268	548289312	/nfs/dbraw/zinc/28/93/12/548289312.db2.gz	NLHICHVVGIVQBG-KRWDZBQOSA-N	1	0	352.442	1.918	20	30		FDEDRO
COC[C@@]1(CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CCC[NH2+]1	ZINC000568373152	548510047	/nfs/dbraw/zinc/51/00/47/548510047.db2.gz	UYOOMEXZXUFMIW-FQEVSTJZSA-N	1	0	372.469	1.880	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1	ZINC000568414110	548529288	/nfs/dbraw/zinc/52/92/88/548529288.db2.gz	AWEBBPQLWMCGNT-QAPCUYQASA-N	1	0	366.506	1.257	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1	ZINC000568501002	548561421	/nfs/dbraw/zinc/56/14/21/548561421.db2.gz	AWKLGWAWXOSGED-LJQANCHMSA-N	1	0	367.453	1.630	20	30		FDEDRO
Cc1cc(N2CCC([NH2+]C[C@@H](O)COc3ccc(C#N)cc3)CC2)n[nH]1	ZINC000568622139	548610124	/nfs/dbraw/zinc/61/01/24/548610124.db2.gz	YHFDUSZLLBYQBT-QGZVFWFLSA-N	1	0	355.442	1.588	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(C#N)cc2F)CCCO1	ZINC000569067311	548783491	/nfs/dbraw/zinc/78/34/91/548783491.db2.gz	XNRFPJNEROFPQP-CYBMUJFWSA-N	1	0	355.435	1.477	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2C[C@H](C)n3ccnc32)c1	ZINC000569197164	548829389	/nfs/dbraw/zinc/82/93/89/548829389.db2.gz	BTKUPLSKQSZSMG-SWLSCSKDSA-N	1	0	360.439	1.783	20	30		FDEDRO
CSC1(CNC(=O)CNC(=O)c2ccc(C#N)cc2)CC[NH+](C)CC1	ZINC000569536883	548952026	/nfs/dbraw/zinc/95/20/26/548952026.db2.gz	UALPSFHKUQOEKM-UHFFFAOYSA-N	1	0	360.483	1.232	20	30		FDEDRO
C[C@H]1CC[N@H+](CCNS(=O)(=O)c2ccc(C#N)c(Br)c2)C1	ZINC000570117410	549164298	/nfs/dbraw/zinc/16/42/98/549164298.db2.gz	AXDYPVCOMQYMPJ-NSHDSACASA-N	1	0	372.288	1.941	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1	ZINC000570433642	549277310	/nfs/dbraw/zinc/27/73/10/549277310.db2.gz	GIFZTMFZTJJJQC-UHFFFAOYSA-N	1	0	356.430	2.310	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1	ZINC000570541968	549318230	/nfs/dbraw/zinc/31/82/30/549318230.db2.gz	JBJCXUDSWUPIDL-HZPDHXFCSA-N	1	0	351.491	1.322	20	30		FDEDRO
Cn1cc(Cn2c3c(cc(C#N)c2=O)C[N@@H+](Cc2ccccc2)CC3)nn1	ZINC000571179056	549555774	/nfs/dbraw/zinc/55/57/74/549555774.db2.gz	GCALWUYVZFARQF-UHFFFAOYSA-N	1	0	360.421	1.455	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1ccncc1OCC[NH+](C)C	ZINC000572277079	549881063	/nfs/dbraw/zinc/88/10/63/549881063.db2.gz	DMEGBMQHUNYOEI-FUHWJXTLSA-N	1	0	362.474	1.802	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)cc1	ZINC000572356409	549896024	/nfs/dbraw/zinc/89/60/24/549896024.db2.gz	IKHOESHAZSRFKT-ICSRJNTNSA-N	1	0	365.433	1.689	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)Cc2ccc(CC#N)cc2)C[C@@H]1[NH+](C)C	ZINC000572757466	549988519	/nfs/dbraw/zinc/98/85/19/549988519.db2.gz	NTGZKBDANSPEQH-HOTGVXAUSA-N	1	0	353.513	1.560	20	30		FDEDRO
C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000572762034	549989155	/nfs/dbraw/zinc/98/91/55/549989155.db2.gz	SJEFNYFDASQGQU-IUCAKERBSA-N	1	0	358.320	1.637	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(OC(F)F)cn2)CC1	ZINC000572866939	550013636	/nfs/dbraw/zinc/01/36/36/550013636.db2.gz	ZVPXMOUQQKHJEZ-UHFFFAOYSA-N	1	0	368.384	1.066	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)C1	ZINC000573040060	550050292	/nfs/dbraw/zinc/05/02/92/550050292.db2.gz	NYIQYZCLIQESGJ-SFHVURJKSA-N	1	0	365.499	1.821	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)C2)c(F)c1	ZINC000573073957	550057538	/nfs/dbraw/zinc/05/75/38/550057538.db2.gz	MMWDKEJDZDGCOO-OWCLPIDISA-N	1	0	357.433	1.527	20	30		FDEDRO
C=CCCCS(=O)(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000573103430	550064862	/nfs/dbraw/zinc/06/48/62/550064862.db2.gz	QJAPZCJALPWGRA-GOSISDBHSA-N	1	0	351.516	1.861	20	30		FDEDRO
CC1(C)C[C@]1(C#N)NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)C1CCCCC1	ZINC000573183706	550081607	/nfs/dbraw/zinc/08/16/07/550081607.db2.gz	MJOBZNISUHTIAF-DNVCBOLYSA-N	1	0	357.458	1.826	20	30		FDEDRO
CC(C)[C@@H]([NH2+]Cc1ccc(C#N)cn1)C(=O)N(C)Cc1nnc2n1CCC2	ZINC000573503324	550152857	/nfs/dbraw/zinc/15/28/57/550152857.db2.gz	UMSCMYVHOSWBPN-GOSISDBHSA-N	1	0	367.457	1.264	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC2CC[NH+](CC)CC2)cc1	ZINC000573526096	550157408	/nfs/dbraw/zinc/15/74/08/550157408.db2.gz	UFQGSAGPEILCLE-UHFFFAOYSA-N	1	0	372.469	1.389	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[NH2+]C1CCN(S(C)(=O)=O)CC1	ZINC000573597061	550173189	/nfs/dbraw/zinc/17/31/89/550173189.db2.gz	WJTSBMOISJFEKN-KRWDZBQOSA-N	1	0	368.499	1.168	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1	ZINC000573814402	550216567	/nfs/dbraw/zinc/21/65/67/550216567.db2.gz	IPJARMPCOUTTKW-KRWDZBQOSA-N	1	0	370.453	1.519	20	30		FDEDRO
N#Cc1cc2c(nc1N1CCC(CC[NH+]3CCOCC3)CC1)CCOC2	ZINC000574030617	550248867	/nfs/dbraw/zinc/24/88/67/550248867.db2.gz	VNEXZCUJZZAFFV-UHFFFAOYSA-N	1	0	356.470	1.965	20	30		FDEDRO
CNC(=O)[C@H](C[NH2+]Cc1nc(C#N)cs1)Cc1ccc(OC)c(F)c1	ZINC000574039662	550250214	/nfs/dbraw/zinc/25/02/14/550250214.db2.gz	XBHSZUMBGLTUMR-LBPRGKRZSA-N	1	0	362.430	1.857	20	30		FDEDRO
C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1	ZINC000574138389	550263317	/nfs/dbraw/zinc/26/33/17/550263317.db2.gz	HQXZSEINHOBJEP-OAHLLOKOSA-N	1	0	369.473	1.888	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1	ZINC000574276297	550287746	/nfs/dbraw/zinc/28/77/46/550287746.db2.gz	UCKDOWXTEJIBIT-SFHVURJKSA-N	1	0	354.454	1.502	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1	ZINC000574276296	550287847	/nfs/dbraw/zinc/28/78/47/550287847.db2.gz	UCKDOWXTEJIBIT-GOSISDBHSA-N	1	0	354.454	1.502	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1	ZINC000574739732	550362398	/nfs/dbraw/zinc/36/23/98/550362398.db2.gz	CHIXTDCIJLDUKU-YJBOKZPZSA-N	1	0	369.469	1.979	20	30		FDEDRO
CN(C)c1nccc(N2CCN(Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)n1	ZINC000575049403	550415737	/nfs/dbraw/zinc/41/57/37/550415737.db2.gz	AKNJTUWTBJLORK-UHFFFAOYSA-N	1	0	367.413	1.645	20	30		FDEDRO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2	ZINC000575160238	550437000	/nfs/dbraw/zinc/43/70/00/550437000.db2.gz	CJEZGJZRKTWFST-RXVVDRJESA-N	1	0	355.482	1.892	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3C[C@H]3C3CC[NH2+]CC3)CC2)nc1	ZINC000575734578	550469556	/nfs/dbraw/zinc/46/95/56/550469556.db2.gz	VOVKVQYRONRWKE-DLBZAZTESA-N	1	0	354.458	1.173	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)NCC2CC[NH+](C3CC3)CC2)c(F)c1	ZINC000576099043	550509992	/nfs/dbraw/zinc/50/99/92/550509992.db2.gz	ONUVJKJABQGTBM-UHFFFAOYSA-N	1	0	351.447	1.991	20	30		FDEDRO
CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC(=O)NCc3cccc(C#N)c3)[C@H]2C1	ZINC000576142900	550515510	/nfs/dbraw/zinc/51/55/10/550515510.db2.gz	BWHSWNXROMOEOO-GBESFXJTSA-N	1	0	354.454	1.411	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]Cc2cccc(N3CCC3=O)c2)cc1	ZINC000576630366	550569760	/nfs/dbraw/zinc/56/97/60/550569760.db2.gz	PARPSEDDUYOCQG-GOSISDBHSA-N	1	0	351.406	1.824	20	30		FDEDRO
CC[NH+]1CCC(N2CCCN(S(=O)(=O)CCCCC#N)CC2)CC1	ZINC000576939468	550602253	/nfs/dbraw/zinc/60/22/53/550602253.db2.gz	YZHLGSNZRXFHQR-UHFFFAOYSA-N	1	0	356.536	1.502	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)c1C#N	ZINC000577624066	550677019	/nfs/dbraw/zinc/67/70/19/550677019.db2.gz	DUFXLLNDLYXONI-MRXNPFEDSA-N	1	0	370.453	1.519	20	30		FDEDRO
Cc1cccc(C[C@H](CO)[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)c1	ZINC000577850685	550701701	/nfs/dbraw/zinc/70/17/01/550701701.db2.gz	GXWMDHITZLJEGK-UXHICEINSA-N	1	0	354.450	1.994	20	30		FDEDRO
CNC(=O)c1cccc(CC[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)c1	ZINC000578759887	550798939	/nfs/dbraw/zinc/79/89/39/550798939.db2.gz	NZUVCMRCCRCNJD-IBGZPJMESA-N	1	0	367.449	1.684	20	30		FDEDRO
CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cc(C)c(C#N)cn1	ZINC000579128527	550839126	/nfs/dbraw/zinc/83/91/26/550839126.db2.gz	MMQJLJKCOAWVMB-INIZCTEOSA-N	1	0	357.458	1.971	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)NCc1ccc(CC#N)cc1)C[NH+]1CCCCC1	ZINC000579229474	550850139	/nfs/dbraw/zinc/85/01/39/550850139.db2.gz	BRHDUMFTUROZLO-MRXNPFEDSA-N	1	0	356.470	1.607	20	30		FDEDRO
Cc1noc([C@@H]2CC[C@H](C[NH2+]C[C@@H](O)COc3ccc(CC#N)cc3)O2)n1	ZINC000579344894	550863006	/nfs/dbraw/zinc/86/30/06/550863006.db2.gz	LYKZYZCFCLPJKY-NXHRZFHOSA-N	1	0	372.425	1.694	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)N1CCC([NH2+]CCOC)CC1	ZINC000579364833	550865985	/nfs/dbraw/zinc/86/59/85/550865985.db2.gz	ATSOCVXBNVQXAC-UHFFFAOYSA-N	1	0	359.470	1.971	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cnn(CCC#N)c1-c1ccccc1	ZINC000579369295	550866484	/nfs/dbraw/zinc/86/64/84/550866484.db2.gz	GGAYCHGKJUKYMD-QGZVFWFLSA-N	1	0	366.469	1.439	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@@H](N2CCC(CO)([NH2+]CC3CC3)CC2)C1=O	ZINC000579480478	550878103	/nfs/dbraw/zinc/87/81/03/550878103.db2.gz	FHCUUWYGZWGBIW-MRXNPFEDSA-N	1	0	374.510	1.552	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCO[C@@H](C(C)(C)C)C2)CC1	ZINC000579987544	550931454	/nfs/dbraw/zinc/93/14/54/550931454.db2.gz	XYHICIWZENLHLH-DLBZAZTESA-N	1	0	365.518	1.853	20	30		FDEDRO
COC1([C@@H](C)[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCOCC1	ZINC000580065137	550939185	/nfs/dbraw/zinc/93/91/85/550939185.db2.gz	LDOJEDZGVUSFLO-CQSZACIVSA-N	1	0	352.456	1.506	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)NCC[N@@H+]3CCCOCC3)CC2)cc1	ZINC000580286760	550962285	/nfs/dbraw/zinc/96/22/85/550962285.db2.gz	BDRKULVWSHQPAK-UHFFFAOYSA-N	1	0	371.485	1.108	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000580436028	550982270	/nfs/dbraw/zinc/98/22/70/550982270.db2.gz	QMNGNUULJWFDKQ-CJNGLKHVSA-N	1	0	354.428	1.939	20	30		FDEDRO
CC[C@@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1cccc(C#N)n1)c1ccco1	ZINC000580444238	550983001	/nfs/dbraw/zinc/98/30/01/550983001.db2.gz	ZMMPZHRHJCVGGP-OCCSQVGLSA-N	1	0	355.398	1.730	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)cc1	ZINC000580533369	550991834	/nfs/dbraw/zinc/99/18/34/550991834.db2.gz	WMRLVKJOAOWQFW-QZTJIDSGSA-N	1	0	357.454	1.775	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2cnccc2C#N)CC1	ZINC000581762094	551132480	/nfs/dbraw/zinc/13/24/80/551132480.db2.gz	OMJFMMXHADBNKV-KRWDZBQOSA-N	1	0	356.474	1.659	20	30		FDEDRO
CCC[C@@H](C)C(=O)NCC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1	ZINC000581939150	551152406	/nfs/dbraw/zinc/15/24/06/551152406.db2.gz	MXKZOKHJPXSCTH-CQSZACIVSA-N	1	0	351.472	1.474	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)cc1	ZINC000582301644	551204368	/nfs/dbraw/zinc/20/43/68/551204368.db2.gz	OIRVZLICAYVOOO-AZUAARDMSA-N	1	0	374.481	1.650	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)cc1	ZINC000582301647	551204587	/nfs/dbraw/zinc/20/45/87/551204587.db2.gz	OIRVZLICAYVOOO-UYAOXDASSA-N	1	0	374.481	1.650	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H](CO)C2CCCCC2)nc1	ZINC000582726037	551260028	/nfs/dbraw/zinc/26/00/28/551260028.db2.gz	KTQRCNHICGGIDE-INIZCTEOSA-N	1	0	351.472	1.505	20	30		FDEDRO
C[NH+](C)[C@@]1(CNC(=O)N2CCN(c3cnccc3C#N)CC2)CCSC1	ZINC000583357566	551339543	/nfs/dbraw/zinc/33/95/43/551339543.db2.gz	BFSNSVMWSIWBKB-GOSISDBHSA-N	1	0	374.514	1.222	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH2+]CC1(S(C)(=O)=O)CCC1	ZINC000583560515	551369581	/nfs/dbraw/zinc/36/95/81/551369581.db2.gz	PVCZXTIPEZDMPI-MRXNPFEDSA-N	1	0	353.484	1.712	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000583880059	551415251	/nfs/dbraw/zinc/41/52/51/551415251.db2.gz	LWLOUAQSMJQTLH-UHFFFAOYSA-N	1	0	365.499	1.157	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCc2nc(CC)nn2C1	ZINC000584072125	551443018	/nfs/dbraw/zinc/44/30/18/551443018.db2.gz	SSNOLFWJIUVFSR-SJORKVTESA-N	1	0	356.470	1.913	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)ncc1C#N	ZINC000584122520	551450837	/nfs/dbraw/zinc/45/08/37/551450837.db2.gz	UFSRGUTVHROVHI-OAHLLOKOSA-N	1	0	365.437	1.837	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]CCCn3cc(Br)cn3)cnc12	ZINC000584232104	551467632	/nfs/dbraw/zinc/46/76/32/551467632.db2.gz	FABLBDLYAZYGRL-UHFFFAOYSA-N	1	0	360.219	1.740	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21	ZINC000584399583	551490860	/nfs/dbraw/zinc/49/08/60/551490860.db2.gz	WIHOEYUXXICCNO-HNAYVOBHSA-N	1	0	355.486	1.871	20	30		FDEDRO
C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C#N)c(F)c1	ZINC000584751369	551541435	/nfs/dbraw/zinc/54/14/35/551541435.db2.gz	WEVBGVQHFOCIOW-KRWDZBQOSA-N	1	0	368.412	1.925	20	30		FDEDRO
CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(C#N)cc1OC	ZINC000584754458	551542244	/nfs/dbraw/zinc/54/22/44/551542244.db2.gz	KWFCAFTWXLOCGR-OAHLLOKOSA-N	1	0	358.442	1.886	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC000585725578	551588233	/nfs/dbraw/zinc/58/82/33/551588233.db2.gz	XFDMWLLTDZWYDG-RTBURBONSA-N	1	0	366.465	1.816	20	30		FDEDRO
C[C@@H](CCC#N)C[NH2+]C[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1	ZINC000585727563	551588357	/nfs/dbraw/zinc/58/83/57/551588357.db2.gz	WDWOBCOGRPGANB-IRXDYDNUSA-N	1	0	372.517	1.363	20	30		FDEDRO
CC(=O)N1CCN([C@@H]2CN(C(=O)Cc3c(F)cccc3C#N)C[C@@H]2C)CC1	ZINC000586795103	551620061	/nfs/dbraw/zinc/62/00/61/551620061.db2.gz	YZBOYBZHUOBMQU-IFXJQAMLSA-N	1	0	372.444	1.251	20	30		FDEDRO
C[C@@H](CCNC(=O)C(=O)NCc1ccc(C#N)cc1F)[NH+]1CCCCC1	ZINC000586864033	551627483	/nfs/dbraw/zinc/62/74/83/551627483.db2.gz	IEUCAPGFXDYQNC-AWEZNQCLSA-N	1	0	360.433	1.694	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)c1cccc(C#N)c1	ZINC000587728913	551635197	/nfs/dbraw/zinc/63/51/97/551635197.db2.gz	IHQBAZSQWPTHBG-HUUCEWRRSA-N	1	0	356.470	1.924	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1cccc(C#N)c1	ZINC000587742017	551635548	/nfs/dbraw/zinc/63/55/48/551635548.db2.gz	ZPWLSBCUUVTGRY-WBAXXEDZSA-N	1	0	354.454	1.678	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cccc(C#N)c1	ZINC000587741700	551635603	/nfs/dbraw/zinc/63/56/03/551635603.db2.gz	XFDFXMCYGLPCTE-KSSFIOAISA-N	1	0	354.454	1.869	20	30		FDEDRO
C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	ZINC000588728086	551680245	/nfs/dbraw/zinc/68/02/45/551680245.db2.gz	DCUSKUXBXFPDOD-ZDUSSCGKSA-N	1	0	367.409	1.750	20	30		FDEDRO
CC(C)[NH+]1CCN(C2CCN(S(=O)(=O)CC3(C#N)CCC3)CC2)CC1	ZINC000589227324	551718521	/nfs/dbraw/zinc/71/85/21/551718521.db2.gz	YLPWBNCIOHGBBF-UHFFFAOYSA-N	1	0	368.547	1.500	20	30		FDEDRO
C[N@H+](Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2cncc(C#N)c2)C1	ZINC000589281243	551722665	/nfs/dbraw/zinc/72/26/65/551722665.db2.gz	MMHYANKIRRDZOT-QGZVFWFLSA-N	1	0	356.451	1.848	20	30		FDEDRO
C[N@H+](CCN1CCN(C(=O)c2cccc(C#N)n2)CC1)Cc1ccccc1	ZINC000589391543	551726640	/nfs/dbraw/zinc/72/66/40/551726640.db2.gz	NAVQCYFUEBCAMX-UHFFFAOYSA-N	1	0	363.465	1.843	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)[C@@H]2C1	ZINC000589929962	551752837	/nfs/dbraw/zinc/75/28/37/551752837.db2.gz	OXNQTNNLKJLUAF-ZWNOBZJWSA-N	1	0	359.373	1.902	20	30		FDEDRO
CCOCC(C)(C)[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000590187061	551764068	/nfs/dbraw/zinc/76/40/68/551764068.db2.gz	OCAKKQADVFMMNJ-OAHLLOKOSA-N	1	0	364.515	1.862	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3cc(C#N)ccc3OC(F)F)[C@@H]2C1	ZINC000590279272	551769337	/nfs/dbraw/zinc/76/93/37/551769337.db2.gz	AYLCVEPGGUAXNR-DGCLKSJQSA-N	1	0	364.352	1.261	20	30		FDEDRO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1	ZINC000590338319	551774714	/nfs/dbraw/zinc/77/47/14/551774714.db2.gz	XCXJGOFAVIEDHJ-QUCCMNQESA-N	1	0	359.470	1.877	20	30		FDEDRO
CC(C)C[C@H](NC(=O)c1cc(C#N)cs1)C(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000590399557	551780523	/nfs/dbraw/zinc/78/05/23/551780523.db2.gz	ZWCCEPGKWUGZRV-GJZGRUSLSA-N	1	0	362.499	1.927	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)C1	ZINC000590665170	551802813	/nfs/dbraw/zinc/80/28/13/551802813.db2.gz	QRLHBMUNYDATTA-GFCCVEGCSA-N	1	0	352.232	1.910	20	30		FDEDRO
C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1	ZINC000590781445	551815816	/nfs/dbraw/zinc/81/58/16/551815816.db2.gz	DITARTLZQMTRHF-HNNXBMFYSA-N	1	0	358.442	1.884	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)ccc1OCC[NH+](C)C	ZINC000591023305	551836686	/nfs/dbraw/zinc/83/66/86/551836686.db2.gz	XPFWVFGHFHOUBM-SFHVURJKSA-N	1	0	362.405	1.338	20	30		FDEDRO
C[NH+]1CCC(CNc2cc(C#N)nc3ccccc32)(N2CCOCC2)CC1	ZINC000591186657	551849911	/nfs/dbraw/zinc/84/99/11/551849911.db2.gz	UBPUMGOWTSYVBY-UHFFFAOYSA-N	1	0	365.481	1.737	20	30		FDEDRO
COC(=O)[C@H]1CN(C(=O)N[C@H]2CCc3cc(C#N)ccc32)CC[N@H+](C)C1	ZINC000591189474	551850188	/nfs/dbraw/zinc/85/01/88/551850188.db2.gz	GMYBQEJPQWWFAU-WBVHZDCISA-N	1	0	356.426	1.292	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)N2CCC[C@@](C)(C#N)C2)(N2CCOCC2)CC1	ZINC000591204639	551851027	/nfs/dbraw/zinc/85/10/27/551851027.db2.gz	QHFDFWIIBQTSQH-SFHVURJKSA-N	1	0	363.506	1.118	20	30		FDEDRO
N#Cc1cccc(Oc2ccc(NC(=O)NC[C@@H]3C[NH2+]CCO3)cn2)c1	ZINC000591277738	551855657	/nfs/dbraw/zinc/85/56/57/551855657.db2.gz	XDZUSTPVOOBXDM-INIZCTEOSA-N	1	0	353.382	1.855	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC[NH2+]1	ZINC000591295741	551857612	/nfs/dbraw/zinc/85/76/12/551857612.db2.gz	IPQDPBBIWIGOTK-CYBMUJFWSA-N	1	0	365.393	1.504	20	30		FDEDRO
CC[C@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)CC[C@H]1[NH3+]	ZINC000591303816	551859238	/nfs/dbraw/zinc/85/92/38/551859238.db2.gz	COAYELDHWKHVCI-LSDHHAIUSA-N	1	0	358.442	1.870	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1	ZINC000591308276	551860124	/nfs/dbraw/zinc/86/01/24/551860124.db2.gz	FVSYISCVJBFRQQ-HZPDHXFCSA-N	1	0	370.453	1.744	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1	ZINC000591309175	551860303	/nfs/dbraw/zinc/86/03/03/551860303.db2.gz	ZPAUBJRWNQDGFH-HUUCEWRRSA-N	1	0	356.426	1.353	20	30		FDEDRO
C[C@@H](NC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1)c1cccc(C#N)c1	ZINC000591310907	551860583	/nfs/dbraw/zinc/86/05/83/551860583.db2.gz	YNTUXBNCWTUVOL-CYBMUJFWSA-N	1	0	351.414	1.641	20	30		FDEDRO
CCCN(C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[C@@H]1CC[NH2+]C1	ZINC000591350529	551865031	/nfs/dbraw/zinc/86/50/31/551865031.db2.gz	IMDYTPNVQYIARK-QGZVFWFLSA-N	1	0	356.474	1.706	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@H](C)[C@H]3CCC[NH2+]C3)CC2)c1C#N	ZINC000591359145	551865869	/nfs/dbraw/zinc/86/58/69/551865869.db2.gz	QNQQTQINXXVEQF-OCCSQVGLSA-N	1	0	362.503	1.543	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@@H](C)[C@@H]3CCC[NH2+]C3)CC2)c1C#N	ZINC000591359139	551865933	/nfs/dbraw/zinc/86/59/33/551865933.db2.gz	QNQQTQINXXVEQF-GXTWGEPZSA-N	1	0	362.503	1.543	20	30		FDEDRO
CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000591360754	551866114	/nfs/dbraw/zinc/86/61/14/551866114.db2.gz	PSQUBAVSMYTKFF-MRXNPFEDSA-N	1	0	356.474	1.563	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCN2Cc3ccccc3C2)nc1	ZINC000591728570	551904164	/nfs/dbraw/zinc/90/41/64/551904164.db2.gz	VCMVIVKRFKEHHK-UHFFFAOYSA-N	1	0	356.451	1.332	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH2+]C[C@@H](O)COC3CCOCC3)C2=O)cc1	ZINC000591758777	551906645	/nfs/dbraw/zinc/90/66/45/551906645.db2.gz	KFPMEXIWSUDJNN-MJGOQNOKSA-N	1	0	373.453	1.200	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCc2cccc([N+](=O)[O-])c2)nc1	ZINC000591757997	551906714	/nfs/dbraw/zinc/90/67/14/551906714.db2.gz	GYRRELRACDGQQD-UHFFFAOYSA-N	1	0	360.395	1.467	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cccc(NC(C)=O)c2)c1C#N	ZINC000591815777	551909852	/nfs/dbraw/zinc/90/98/52/551909852.db2.gz	URCFEKGADNSISC-UHFFFAOYSA-N	1	0	354.414	1.573	20	30		FDEDRO
N#CC[C@]1(O)CCN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000591931054	551917647	/nfs/dbraw/zinc/91/76/47/551917647.db2.gz	IORPLPGPVHICDF-FQEVSTJZSA-N	1	0	356.470	1.959	20	30		FDEDRO
COc1ccc2ncc(C#N)c(NCCN3CC[N@H+](C)C(C)(C)C3)c2c1	ZINC000591938325	551918435	/nfs/dbraw/zinc/91/84/35/551918435.db2.gz	DEHUMFCZFXDGDK-UHFFFAOYSA-N	1	0	353.470	1.975	20	30		FDEDRO
N#CC[C@]1(O)CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1	ZINC000592018758	551927424	/nfs/dbraw/zinc/92/74/24/551927424.db2.gz	XRNDZWUWKNRMBW-QUCCMNQESA-N	1	0	372.469	1.338	20	30		FDEDRO
N#CC[C@]1(O)CC[N@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1	ZINC000592148120	551949581	/nfs/dbraw/zinc/94/95/81/551949581.db2.gz	QXZGRDZTTHCMQN-IBGZPJMESA-N	1	0	356.426	1.492	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)N[C@@]3(CCC[NH2+]C3)C2=O)c(Br)c1	ZINC000592180155	551954310	/nfs/dbraw/zinc/95/43/10/551954310.db2.gz	MCHZUUZALJRAHF-OAHLLOKOSA-N	1	0	363.215	1.495	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)CCO2	ZINC000592185251	551954981	/nfs/dbraw/zinc/95/49/81/551954981.db2.gz	WIJLZBNAAILTOH-UHFFFAOYSA-N	1	0	362.861	1.947	20	30		FDEDRO
CN(C(=O)C(=O)Nc1cccc(C#N)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000592287968	551972925	/nfs/dbraw/zinc/97/29/25/551972925.db2.gz	ZTQAKQUCOHZGCL-QGZVFWFLSA-N	1	0	363.421	1.625	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2-n2cncn2)CC1	ZINC000592359243	551984088	/nfs/dbraw/zinc/98/40/88/551984088.db2.gz	WOVYRSZCIYDBKD-UHFFFAOYSA-N	1	0	368.441	1.363	20	30		FDEDRO
C[NH+](C)CCn1ncc(C(=O)N2CC[C@](O)(CC#N)C2)c1-c1ccccc1	ZINC000592850364	552035463	/nfs/dbraw/zinc/03/54/63/552035463.db2.gz	SYIQMIOSRAKTQQ-HXUWFJFHSA-N	1	0	367.453	1.602	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C	ZINC000592882402	552038444	/nfs/dbraw/zinc/03/84/44/552038444.db2.gz	XGLZLQJLMGGTLD-YJBOKZPZSA-N	1	0	372.469	1.540	20	30		FDEDRO
COCC#CC[NH+]1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1	ZINC000593044547	552055620	/nfs/dbraw/zinc/05/56/20/552055620.db2.gz	OJRVVHYGEQTDMC-HNNXBMFYSA-N	1	0	350.459	1.291	20	30		FDEDRO
C[N@@H+]1CCN(CC(=O)N(CCC#N)CCC#N)[C@H](Cc2ccccc2)C1	ZINC000593088841	552060510	/nfs/dbraw/zinc/06/05/10/552060510.db2.gz	LYPWNSDXQQHGIE-LJQANCHMSA-N	1	0	353.470	1.501	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1=O	ZINC000593233264	552075095	/nfs/dbraw/zinc/07/50/95/552075095.db2.gz	UKOOGOBUWRMOQL-GOSISDBHSA-N	1	0	368.437	1.646	20	30		FDEDRO
CC(C)[C@H](CNC(=O)N1Cc2cccc(C#N)c2C1)[NH+]1CCN(C)CC1	ZINC000593302593	552085963	/nfs/dbraw/zinc/08/59/63/552085963.db2.gz	FEPYPQNZAFMSJW-IBGZPJMESA-N	1	0	355.486	1.855	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)CCn3cnccc3=O)CC2)c1	ZINC000593348275	552093980	/nfs/dbraw/zinc/09/39/80/552093980.db2.gz	KBLNLPZOUUCUBL-UHFFFAOYSA-N	1	0	365.437	1.286	20	30		FDEDRO
CCN1C[C@@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1=O	ZINC000593356617	552095243	/nfs/dbraw/zinc/09/52/43/552095243.db2.gz	YNGLLDPKCZISID-KRWDZBQOSA-N	1	0	354.454	1.507	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@]3(O)CCSC3)CC2)c1	ZINC000593512799	552119866	/nfs/dbraw/zinc/11/98/66/552119866.db2.gz	TULDJEQMYBGISY-LJQANCHMSA-N	1	0	374.510	1.690	20	30		FDEDRO
COC[C@@](C)(O)CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593512508	552120009	/nfs/dbraw/zinc/12/00/09/552120009.db2.gz	WJMPAPWKJCWNBG-IBGZPJMESA-N	1	0	360.458	1.219	20	30		FDEDRO
C[C@@H]1OCC[C@]1(O)CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593514632	552120740	/nfs/dbraw/zinc/12/07/40/552120740.db2.gz	XMBKCGOWLHFGNX-YWZLYKJASA-N	1	0	372.469	1.362	20	30		FDEDRO
CCC[C@H](O)[C@@H](CO)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593515556	552120851	/nfs/dbraw/zinc/12/08/51/552120851.db2.gz	KMIURQLKMYMLSR-MOPGFXCFSA-N	1	0	374.485	1.344	20	30		FDEDRO
CC(C)N(C[C@H](O)CO)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593517518	552121665	/nfs/dbraw/zinc/12/16/65/552121665.db2.gz	SGHMSZROQAZZOV-IBGZPJMESA-N	1	0	374.485	1.296	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2ccsc2C#N)C[C@@H]1[NH+]1CCCC1	ZINC000593583042	552143350	/nfs/dbraw/zinc/14/33/50/552143350.db2.gz	GFBRHMMLUTVPFU-WCQYABFASA-N	1	0	357.526	1.820	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N(C)CC1([NH+](C)C)CCC1	ZINC000593589567	552145193	/nfs/dbraw/zinc/14/51/93/552145193.db2.gz	VBOOCFTYMXNHEZ-UHFFFAOYSA-N	1	0	365.455	1.450	20	30		FDEDRO
CC(C)(C#N)c1ccc(S(=O)(=O)NCCCN2CC[NH2+]CC2)cc1	ZINC000593729539	552184790	/nfs/dbraw/zinc/18/47/90/552184790.db2.gz	GOFKBNSMVPDSKV-UHFFFAOYSA-N	1	0	350.488	1.061	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)NCCC1(C[NH3+])CC1	ZINC000593730574	552185213	/nfs/dbraw/zinc/18/52/13/552185213.db2.gz	LHYWSVYTNOSJRL-UHFFFAOYSA-N	1	0	358.261	1.728	20	30		FDEDRO
N#Cc1cccc(CS(=O)(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1	ZINC000593733393	552186256	/nfs/dbraw/zinc/18/62/56/552186256.db2.gz	GJKMRWBXGRGPOY-BZSNNMDCSA-N	1	0	363.483	1.606	20	30		FDEDRO
N#Cc1cc(Br)ccc1CC(=O)NCC[NH+]1CCC(O)CC1	ZINC000593738543	552188085	/nfs/dbraw/zinc/18/80/85/552188085.db2.gz	HTZIJBKOZPVCLQ-UHFFFAOYSA-N	1	0	366.259	1.436	20	30		FDEDRO
COCC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C[C@@H](O)C(F)(F)F	ZINC000594018066	552239054	/nfs/dbraw/zinc/23/90/54/552239054.db2.gz	QGLQWOUYKQMUBW-CQSZACIVSA-N	1	0	359.348	1.758	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1	ZINC000594099467	552248648	/nfs/dbraw/zinc/24/86/48/552248648.db2.gz	HDMFARUWCPVRIE-NFAWXSAZSA-N	1	0	364.471	1.834	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)n1	ZINC000594284470	552277843	/nfs/dbraw/zinc/27/78/43/552277843.db2.gz	YVSYEPKQMYWANU-MSOLQXFVSA-N	1	0	368.485	1.802	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)N[C@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)c1	ZINC000594284229	552277999	/nfs/dbraw/zinc/27/79/99/552277999.db2.gz	WYXANBGRTTZEED-ZWKOTPCHSA-N	1	0	368.485	1.802	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1	ZINC000594362211	552295704	/nfs/dbraw/zinc/29/57/04/552295704.db2.gz	DOQHXNYQPOBXMV-BEFAXECRSA-N	1	0	368.481	1.548	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1	ZINC000594426270	552308002	/nfs/dbraw/zinc/30/80/02/552308002.db2.gz	DRAIEODOVUGCSE-CQSZACIVSA-N	1	0	357.863	1.641	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N1CCC(C(=O)NCc2ccccc2)CC1	ZINC000594427082	552308091	/nfs/dbraw/zinc/30/80/91/552308091.db2.gz	UNOOZEFPHPNJGT-SFHVURJKSA-N	1	0	356.470	1.953	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1	ZINC000594428782	552308652	/nfs/dbraw/zinc/30/86/52/552308652.db2.gz	ORQWQMODEUUEDW-INIZCTEOSA-N	1	0	364.471	1.725	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H](C(N)=O)c1cccc(Br)c1	ZINC000594431088	552308838	/nfs/dbraw/zinc/30/88/38/552308838.db2.gz	HGQFVJLOORBBAY-CHWSQXEVSA-N	1	0	367.247	1.503	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1	ZINC000594427762	552308886	/nfs/dbraw/zinc/30/88/86/552308886.db2.gz	IZXXCSNWRAYYHG-OAHLLOKOSA-N	1	0	350.444	1.477	20	30		FDEDRO
CN(c1ccc(CNC(=O)[C@H]([NH3+])CCCCC#N)cc1)S(C)(=O)=O	ZINC000594434049	552309125	/nfs/dbraw/zinc/30/91/25/552309125.db2.gz	JTRKZDLRJLEBQH-OAHLLOKOSA-N	1	0	352.460	1.110	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000594432597	552309224	/nfs/dbraw/zinc/30/92/24/552309224.db2.gz	DNDPZRXMCRXNJU-ROUUACIJSA-N	1	0	356.470	1.748	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000594433977	552309424	/nfs/dbraw/zinc/30/94/24/552309424.db2.gz	VOBGBIQSQIICJA-INIZCTEOSA-N	1	0	373.413	1.290	20	30		FDEDRO
COC(=O)c1ccc(N2CCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H](C)C2)cc1	ZINC000594436942	552309568	/nfs/dbraw/zinc/30/95/68/552309568.db2.gz	RFNRFRFPNYBAMH-YJBOKZPZSA-N	1	0	372.469	1.922	20	30		FDEDRO
CCN1CCN(C(=O)c2ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc2)CC1	ZINC000594438033	552309638	/nfs/dbraw/zinc/30/96/38/552309638.db2.gz	MIAVYUMLDVXBQK-SFHVURJKSA-N	1	0	371.485	1.814	20	30		FDEDRO
CCc1nsc(N2CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC2)n1	ZINC000594438879	552310216	/nfs/dbraw/zinc/31/02/16/552310216.db2.gz	MQTJMMICJJQBQA-ZDUSSCGKSA-N	1	0	350.492	1.550	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1	ZINC000594440135	552310974	/nfs/dbraw/zinc/31/09/74/552310974.db2.gz	URUGOKLMTZZDAJ-INIZCTEOSA-N	1	0	364.396	1.660	20	30		FDEDRO
Cc1ccc([C@@H](CN2CCOCC2)NC(=O)[C@H]([NH3+])CCCCC#N)cc1	ZINC000594440262	552311034	/nfs/dbraw/zinc/31/10/34/552311034.db2.gz	BDHJUQAOYUHXNG-RTBURBONSA-N	1	0	358.486	1.896	20	30		FDEDRO
CNS(=O)(=O)c1cccc([C@H](C)NC(=O)[C@@H]([NH3+])CCCCC#N)c1	ZINC000594440755	552311338	/nfs/dbraw/zinc/31/13/38/552311338.db2.gz	ZFHPVQQPPODNBW-WFASDCNBSA-N	1	0	352.460	1.183	20	30		FDEDRO
Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)[C@H]([NH3+])CCCCC#N	ZINC000594442398	552311595	/nfs/dbraw/zinc/31/15/95/552311595.db2.gz	FHFCTVCYYATSNE-WBVHZDCISA-N	1	0	358.442	1.954	20	30		FDEDRO
CC1(C)NC(=O)N(c2cccc(NC(=O)[C@@H]([NH3+])CCCCC#N)c2)C1=O	ZINC000594444896	552311719	/nfs/dbraw/zinc/31/17/19/552311719.db2.gz	FJJUXRUMPIMVAH-AWEZNQCLSA-N	1	0	357.414	1.871	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H](c1cccs1)N1CCOCC1	ZINC000594446511	552312372	/nfs/dbraw/zinc/31/23/72/552312372.db2.gz	UUAVNBRZDGAPKS-HUUCEWRRSA-N	1	0	350.488	1.649	20	30		FDEDRO
N#Cc1ccc(C2(NC(=O)c3cn(C[C@@H]4CCC[NH2+]4)nn3)CCC2)cc1	ZINC000594450488	552313222	/nfs/dbraw/zinc/31/32/22/552313222.db2.gz	OYWRYTYFNMLENF-INIZCTEOSA-N	1	0	350.426	1.711	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N1CCn2c(Cc3ccccc3F)nnc2C1	ZINC000594452237	552313811	/nfs/dbraw/zinc/31/38/11/552313811.db2.gz	FWUGUUVVTNZGDQ-INIZCTEOSA-N	1	0	370.432	1.761	20	30		FDEDRO
CC(C)(C)c1csc(NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F)c1C#N	ZINC000594531449	552329128	/nfs/dbraw/zinc/32/91/28/552329128.db2.gz	AUNNJNZYMYVZLP-SECBINFHSA-N	1	0	362.377	1.862	20	30		FDEDRO
CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)Cc2cccc(C#N)c2)CC1	ZINC000594532946	552330081	/nfs/dbraw/zinc/33/00/81/552330081.db2.gz	GQDDRDCUPMPDRK-UHFFFAOYSA-N	1	0	356.470	1.849	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccc(C#N)c1	ZINC000594620701	552342754	/nfs/dbraw/zinc/34/27/54/552342754.db2.gz	KXOVHHNEVCDXAW-QGTPRVQTSA-N	1	0	354.454	1.869	20	30		FDEDRO
N#Cc1ccc(-n2cc(CN3CCC([NH2+]C4CCOCC4)CC3)nn2)cc1	ZINC000594652658	552349153	/nfs/dbraw/zinc/34/91/53/552349153.db2.gz	VILVCSKROUGDMO-UHFFFAOYSA-N	1	0	366.469	1.872	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cc1C#N	ZINC000595119822	552457279	/nfs/dbraw/zinc/45/72/79/552457279.db2.gz	IXIZBBCCWIBISR-QZTJIDSGSA-N	1	0	374.441	1.825	20	30		FDEDRO
CN(C(=O)C(=O)N1CC[C@@](C)(C#N)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000595129438	552460631	/nfs/dbraw/zinc/46/06/31/552460631.db2.gz	MJLLQKBSNYKCTB-XLIONFOSSA-N	1	0	354.454	1.481	20	30		FDEDRO
CCN(C(=O)C(=O)N1CC[C@@](C)(C#N)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000595130922	552461605	/nfs/dbraw/zinc/46/16/05/552461605.db2.gz	ZZCGJWWAZADFPG-RXVVDRJESA-N	1	0	368.481	1.872	20	30		FDEDRO
C[NH+](C)CCN(CCCc1ccccc1)C(=O)C(=O)N1CC[C@](C)(C#N)C1	ZINC000595145710	552467105	/nfs/dbraw/zinc/46/71/05/552467105.db2.gz	DVRTYJWMMLWBAE-OAQYLSRUSA-N	1	0	370.497	1.772	20	30		FDEDRO
CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000595151676	552468980	/nfs/dbraw/zinc/46/89/80/552468980.db2.gz	HJJCVPGOSGZJQK-UHFFFAOYSA-N	1	0	370.331	1.415	20	30		FDEDRO
N#Cc1c(N)n[nH]c1CCCNC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1	ZINC000595234924	552500831	/nfs/dbraw/zinc/50/08/31/552500831.db2.gz	OPVKDTOUSNFMGZ-MRXNPFEDSA-N	1	0	369.429	1.279	20	30		FDEDRO
CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	ZINC000595239556	552502374	/nfs/dbraw/zinc/50/23/74/552502374.db2.gz	CGAZKELSNKGOCY-UHFFFAOYSA-N	1	0	367.409	1.880	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1F	ZINC000595239917	552502536	/nfs/dbraw/zinc/50/25/36/552502536.db2.gz	GMYKRUGMNYWEBH-OAHLLOKOSA-N	1	0	358.417	1.874	20	30		FDEDRO
N#Cc1ccc(CCNC(=O)C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)cc1	ZINC000595240091	552502820	/nfs/dbraw/zinc/50/28/20/552502820.db2.gz	NOGAMPBCMLOXBK-INIZCTEOSA-N	1	0	363.421	1.067	20	30		FDEDRO
C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	ZINC000595245817	552504291	/nfs/dbraw/zinc/50/42/91/552504291.db2.gz	WWODZCKFKBTXST-ZDUSSCGKSA-N	1	0	367.409	1.717	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)NC1(CN2CCN(c3ccccc3)CC2)CC1	ZINC000595257032	552506319	/nfs/dbraw/zinc/50/63/19/552506319.db2.gz	HFGBPMQKEFDDAY-LJQANCHMSA-N	1	0	369.513	1.869	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CCN(C(=O)NCCC[NH3+])CC3)n[nH]2)cc1	ZINC000595266795	552508266	/nfs/dbraw/zinc/50/82/66/552508266.db2.gz	CBLWFLKVFZAOOO-UHFFFAOYSA-N	1	0	353.430	1.129	20	30		FDEDRO
C[C@@H](NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)[C@H](C)[NH3+]	ZINC000595273333	552509591	/nfs/dbraw/zinc/50/95/91/552509591.db2.gz	KRYSNLQYGUMJQM-UONOGXRCSA-N	1	0	367.457	1.516	20	30		FDEDRO
C[NH2+]CCCC(=O)N1CCC(NC(=O)N2Cc3cccc(C#N)c3C2)CC1	ZINC000595274846	552509806	/nfs/dbraw/zinc/50/98/06/552509806.db2.gz	BPGGMYNMEZOJEJ-UHFFFAOYSA-N	1	0	369.469	1.574	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CCN(C(=O)NC/C=C\C[NH3+])CC3)n[nH]2)cc1	ZINC000595275054	552509974	/nfs/dbraw/zinc/50/99/74/552509974.db2.gz	ZIJPGPSAVIUGCU-UPHRSURJSA-N	1	0	365.441	1.295	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CCCCC1	ZINC000595278642	552510673	/nfs/dbraw/zinc/51/06/73/552510673.db2.gz	QXMSRTXPIQSVCC-UHFFFAOYSA-N	1	0	356.470	1.954	20	30		FDEDRO
Cc1cc(S(=O)(=O)N2CCO[C@H](CCC[NH+](C)C)C2)ccc1C#N	ZINC000595403783	552551086	/nfs/dbraw/zinc/55/10/86/552551086.db2.gz	IEVCCNLXDZMCSF-MRXNPFEDSA-N	1	0	351.472	1.598	20	30		FDEDRO
CC(C)[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2C#N)CC[NH2+]1	ZINC000595413830	552554653	/nfs/dbraw/zinc/55/46/53/552554653.db2.gz	XHRWINLITJGHHT-ZDUSSCGKSA-N	1	0	372.288	1.939	20	30		FDEDRO
CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCCc3ccc(C#N)cc3)C2)CC1	ZINC000595514365	552576570	/nfs/dbraw/zinc/57/65/70/552576570.db2.gz	DURGYUQLRRVWHK-GOSISDBHSA-N	1	0	355.486	1.568	20	30		FDEDRO
CC(C)(C)OC(=O)CC1([NH2+]CC(=O)NC2(C#N)CCC2)CCOCC1	ZINC000595550145	552582651	/nfs/dbraw/zinc/58/26/51/552582651.db2.gz	LRBJVRBNOMCODB-UHFFFAOYSA-N	1	0	351.447	1.419	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000595589910	552588658	/nfs/dbraw/zinc/58/86/58/552588658.db2.gz	CXVHQJRSANBUKI-QZTJIDSGSA-N	1	0	369.469	1.443	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000595589909	552588821	/nfs/dbraw/zinc/58/88/21/552588821.db2.gz	CXVHQJRSANBUKI-MSOLQXFVSA-N	1	0	369.469	1.443	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](Cn2ccnn2)C1	ZINC000595607946	552591713	/nfs/dbraw/zinc/59/17/13/552591713.db2.gz	LXFAZFWYAXINQN-IRXDYDNUSA-N	1	0	352.442	1.935	20	30		FDEDRO
COC[C@H](CCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)OC	ZINC000595652815	552597638	/nfs/dbraw/zinc/59/76/38/552597638.db2.gz	IVAOIBYJNSGURW-IBGZPJMESA-N	1	0	374.485	1.873	20	30		FDEDRO
Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cn1	ZINC000595769719	552613328	/nfs/dbraw/zinc/61/33/28/552613328.db2.gz	KRICAOBZKXCIDX-SJORKVTESA-N	1	0	373.482	1.461	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@H]1C[C@@H](O)C12CCC2	ZINC000595779334	552614049	/nfs/dbraw/zinc/61/40/49/552614049.db2.gz	CQDMRPSRVLXYPS-JKSUJKDBSA-N	1	0	351.410	1.576	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1	ZINC000595806215	552618154	/nfs/dbraw/zinc/61/81/54/552618154.db2.gz	JQHZSNZEVQNFCA-HNNXBMFYSA-N	1	0	372.473	1.740	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CCN(C(=O)[C@@H]4C[C@H]5C[C@H]5[NH2+]4)CC3)n[nH]2)cc1	ZINC000595972169	552640387	/nfs/dbraw/zinc/64/03/87/552640387.db2.gz	UUUVLVAWLVORQI-NUJGCVRESA-N	1	0	362.437	1.347	20	30		FDEDRO
CC(C)[NH2+]CCC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595972674	552640577	/nfs/dbraw/zinc/64/05/77/552640577.db2.gz	XIPGTDYZYFTUKM-UHFFFAOYSA-N	1	0	366.469	1.985	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000596070781	552652276	/nfs/dbraw/zinc/65/22/76/552652276.db2.gz	UOQOMYLPLIENAN-IPMKNSEASA-N	1	0	358.486	1.524	20	30		FDEDRO
CCc1nc(C#N)cc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1	ZINC000596078168	552653240	/nfs/dbraw/zinc/65/32/40/552653240.db2.gz	MPGYEROMLQBMCM-UHFFFAOYSA-N	1	0	370.501	1.729	20	30		FDEDRO
CCc1nc(C#N)cc(NCc2cccc(C(=O)NCC[NH+](C)C)c2)n1	ZINC000596105909	552655707	/nfs/dbraw/zinc/65/57/07/552655707.db2.gz	QNPRMXSHYHAUFD-UHFFFAOYSA-N	1	0	352.442	1.814	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1nc2ncccc2cc1C#N	ZINC000596109763	552656051	/nfs/dbraw/zinc/65/60/51/552656051.db2.gz	ILNOVKZJKQFIOK-MRXNPFEDSA-N	1	0	352.442	1.856	20	30		FDEDRO
CC(C)[C@H](CNC(=O)NCCc1ccc(C#N)cc1)[NH+]1CCN(C)CC1	ZINC000596117055	552656983	/nfs/dbraw/zinc/65/69/83/552656983.db2.gz	CMJJQKOOFJVZLS-IBGZPJMESA-N	1	0	357.502	1.672	20	30		FDEDRO
Cc1cc(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc(C#N)c1[N+](=O)[O-]	ZINC000596174100	552662142	/nfs/dbraw/zinc/66/21/42/552662142.db2.gz	AXPAHUWSFCNOSS-INIZCTEOSA-N	1	0	357.414	1.693	20	30		FDEDRO
CC(=O)Nc1ccc(C[NH+]2CCC(Nc3cc(C#N)cnn3)CC2)cc1	ZINC000596267054	552669787	/nfs/dbraw/zinc/66/97/87/552669787.db2.gz	VLJIJYSBQFWXRG-UHFFFAOYSA-N	1	0	350.426	2.383	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CC[C@](C)(C#N)C2)CC1	ZINC000596468394	552681843	/nfs/dbraw/zinc/68/18/43/552681843.db2.gz	FQHBTPZMQDNISF-LJQANCHMSA-N	1	0	363.506	1.558	20	30		FDEDRO
C[NH+]1CCN(Cc2ccccc2-c2cc(C#N)cc(S(N)(=O)=O)c2)CC1	ZINC000596639324	552696010	/nfs/dbraw/zinc/69/60/10/552696010.db2.gz	NTNJAXQFUGGRPJ-UHFFFAOYSA-N	1	0	370.478	1.620	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000596671925	552699783	/nfs/dbraw/zinc/69/97/83/552699783.db2.gz	HKIYEEIYLZFJRR-UHFFFAOYSA-N	1	0	371.485	1.296	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000596675133	552700025	/nfs/dbraw/zinc/70/00/25/552700025.db2.gz	XPLDQDHEYBACQH-HXUWFJFHSA-N	1	0	369.513	1.912	20	30		FDEDRO
C=CCCSCCNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1	ZINC000596718120	552704603	/nfs/dbraw/zinc/70/46/03/552704603.db2.gz	WIKSQOJWUZEXGB-IRXDYDNUSA-N	1	0	354.564	1.963	20	30		FDEDRO
N#CCCn1ccc(=NC(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)[nH]1	ZINC000596753388	552707454	/nfs/dbraw/zinc/70/74/54/552707454.db2.gz	QDGZXLXFNMOALA-QGZVFWFLSA-N	1	0	368.441	1.685	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)N1CCN([C@@H]2CCOC2)CC1	ZINC000596833893	552715938	/nfs/dbraw/zinc/71/59/38/552715938.db2.gz	RJCIJNIDXCROOG-MRXNPFEDSA-N	1	0	374.441	1.522	20	30		FDEDRO
C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N(C)CCCc1[nH]nc(N)c1C#N	ZINC000596845528	552717186	/nfs/dbraw/zinc/71/71/86/552717186.db2.gz	RLYNSSKDFTXFLQ-CQSZACIVSA-N	1	0	361.494	1.558	20	30		FDEDRO
CCN(C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1)[C@H]1CC[N@H+](C)C1	ZINC000596877290	552720595	/nfs/dbraw/zinc/72/05/95/552720595.db2.gz	PIXXEHBLUZANAG-ZFWWWQNUSA-N	1	0	364.471	1.930	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)CC1	ZINC000597147596	552753858	/nfs/dbraw/zinc/75/38/58/552753858.db2.gz	ZXBHFBJIQRWICU-UHFFFAOYSA-N	1	0	364.396	1.463	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCC2(C#N)CCCCC2)C1	ZINC000597165398	552756215	/nfs/dbraw/zinc/75/62/15/552756215.db2.gz	LCAZHZAMMXUZEV-INIZCTEOSA-N	1	0	364.490	1.050	20	30		FDEDRO
N#CC1(NC(=O)c2cc(O)cc(=O)[nH]2)CC[NH+](Cc2ccccc2)CC1	ZINC000597474987	552793412	/nfs/dbraw/zinc/79/34/12/552793412.db2.gz	IJPPNJGIVYDYKA-UHFFFAOYSA-N	1	0	352.394	1.781	20	30		FDEDRO
C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1	ZINC000597534322	552800852	/nfs/dbraw/zinc/80/08/52/552800852.db2.gz	WBYBRJXFTQUWPN-IAGOWNOFSA-N	1	0	363.483	1.977	20	30		FDEDRO
C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1	ZINC000597574861	552806870	/nfs/dbraw/zinc/80/68/70/552806870.db2.gz	SMGYNAYOTNDGIA-OAHLLOKOSA-N	1	0	356.348	1.501	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)n1	ZINC000597641773	552816567	/nfs/dbraw/zinc/81/65/67/552816567.db2.gz	AWSREENNSHFHLV-QGZVFWFLSA-N	1	0	352.442	1.221	20	30		FDEDRO
CCN(CC)C(=O)C[NH+]1CCC(NC(=O)CC2(C#N)CCOCC2)CC1	ZINC000597645881	552817330	/nfs/dbraw/zinc/81/73/30/552817330.db2.gz	ZWZMONUBIGHYMY-UHFFFAOYSA-N	1	0	364.490	1.146	20	30		FDEDRO
CC(C)C[C@H](NC(=O)c1ccc(C#N)nc1)C(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000597693335	552822728	/nfs/dbraw/zinc/82/27/28/552822728.db2.gz	WJSOATKTQOIUIV-IRXDYDNUSA-N	1	0	357.458	1.260	20	30		FDEDRO
CC[C@@H]1CN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C[C@H](C)[NH2+]1	ZINC000598530936	552906127	/nfs/dbraw/zinc/90/61/27/552906127.db2.gz	AFIMYJHSJABTDL-DZGCQCFKSA-N	1	0	364.471	1.009	20	30		FDEDRO
C[C@H]1C[N@H+](C[C@@H](O)CC(C)(C)C#N)CCN1C[C@@H](O)CC(C)(C)C#N	ZINC000598594559	552912802	/nfs/dbraw/zinc/91/28/02/552912802.db2.gz	ATINAKMGPVOVEF-ULQDDVLXSA-N	1	0	350.507	1.594	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2	ZINC000598729415	552928560	/nfs/dbraw/zinc/92/85/60/552928560.db2.gz	JASNSRXXHKVCKO-CABCVRRESA-N	1	0	361.442	1.201	20	30		FDEDRO
CN1CCOC[C@H]1CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000599090749	552966587	/nfs/dbraw/zinc/96/65/87/552966587.db2.gz	CKTWUMVKXNLCQR-LJQANCHMSA-N	1	0	371.485	1.152	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)s1	ZINC000599099365	552967553	/nfs/dbraw/zinc/96/75/53/552967553.db2.gz	BXJNRVHDBKCGJZ-SCZZXKLOSA-N	1	0	353.391	1.768	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H](CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000599157317	552976083	/nfs/dbraw/zinc/97/60/83/552976083.db2.gz	SJSMPFHIBRRRIH-DLBZAZTESA-N	1	0	357.458	1.848	20	30		FDEDRO
CCC1([NH+]2CCOCC2)CCN(c2ccc(C(=O)OC)nc2C#N)CC1	ZINC000599184079	552980021	/nfs/dbraw/zinc/98/00/21/552980021.db2.gz	XYIUUUNOZTZGFH-UHFFFAOYSA-N	1	0	358.442	1.821	20	30		FDEDRO
CCCCNC(=O)C1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1	ZINC000599252866	553003922	/nfs/dbraw/zinc/00/39/22/553003922.db2.gz	VUHZGPVTTLEDCG-KRWDZBQOSA-N	1	0	351.491	1.686	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH+]2CCN(Cc3cccc(O)c3)CC2)CCOCC1	ZINC000599329428	553028862	/nfs/dbraw/zinc/02/88/62/553028862.db2.gz	KALFAEUQBYVTKV-IBGZPJMESA-N	1	0	359.470	1.581	20	30		FDEDRO
CN1CC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C[C@H]1Cc1ccccc1	ZINC000599403183	553047437	/nfs/dbraw/zinc/04/74/37/553047437.db2.gz	BYZUSUUZSHEQMK-UXHICEINSA-N	1	0	357.498	1.916	20	30		FDEDRO
COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]CC#CCN1C(=O)c2ccccc2C1=O	ZINC000599432616	553055376	/nfs/dbraw/zinc/05/53/76/553055376.db2.gz	WOLYBFCPJVZKHX-MSOLQXFVSA-N	1	0	368.433	1.998	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](N3CCC([NH+]4CCOCC4)CC3)C2=O)cc1	ZINC000599472219	553067056	/nfs/dbraw/zinc/06/70/56/553067056.db2.gz	DOCZQLOASPQTHA-LJQANCHMSA-N	1	0	354.454	1.460	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)NCCOCCC[NH3+])n2)c(Cl)c1	ZINC000599603807	553101132	/nfs/dbraw/zinc/10/11/32/553101132.db2.gz	JBVNIJXUZXYLLC-UHFFFAOYSA-N	1	0	362.821	1.884	20	30		FDEDRO
CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1	ZINC000599607420	553101855	/nfs/dbraw/zinc/10/18/55/553101855.db2.gz	XBCYWEYNRYBXHD-BYCMXARLSA-N	1	0	350.444	1.634	20	30		FDEDRO
COC(=O)[C@@H](NC(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1)C(C)C	ZINC000599629480	553107865	/nfs/dbraw/zinc/10/78/65/553107865.db2.gz	GWIVMQALUUCTAU-SFHVURJKSA-N	1	0	373.453	1.467	20	30		FDEDRO
COC[C@@H](C)NC(=O)NC(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1	ZINC000599632926	553109273	/nfs/dbraw/zinc/10/92/73/553109273.db2.gz	SYEZVVVWLISHLS-CQSZACIVSA-N	1	0	374.441	1.014	20	30		FDEDRO
COC(=O)[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)[C@H]2CCC[C@H]21	ZINC000599660600	553115433	/nfs/dbraw/zinc/11/54/33/553115433.db2.gz	RETREPLTOMCDGL-KSZLIROESA-N	1	0	355.438	1.838	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)NC[C@@]1(CO)COCC2(CCC2)N1C	ZINC000599755690	553138811	/nfs/dbraw/zinc/13/88/11/553138811.db2.gz	MKZPRYLOOAJXIY-LJQANCHMSA-N	1	0	358.442	1.604	20	30		FDEDRO
N#Cc1cc(Oc2ccc(NC(=O)NCC[N@H+]3CC[C@H](O)C3)cc2)ccn1	ZINC000599786629	553147041	/nfs/dbraw/zinc/14/70/41/553147041.db2.gz	JAKDOBUCOHARHZ-INIZCTEOSA-N	1	0	367.409	1.934	20	30		FDEDRO
N#CCc1cccc2c1CCN(C(=O)C(=O)Nc1ccc3c(c1)C[NH2+]C3)C2	ZINC000599903357	553171513	/nfs/dbraw/zinc/17/15/13/553171513.db2.gz	ATERXGPPLGXLHK-UHFFFAOYSA-N	1	0	360.417	1.879	20	30		FDEDRO
C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)Nc1cccc(OCCCC#N)c1)C2	ZINC000599901061	553171691	/nfs/dbraw/zinc/17/16/91/553171691.db2.gz	YJQGVRGCQVUJAA-BGYRXZFFSA-N	1	0	370.453	1.766	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1	ZINC000599901019	553171734	/nfs/dbraw/zinc/17/17/34/553171734.db2.gz	XCERRMFTDDSPCW-STQMWFEESA-N	1	0	368.359	1.791	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(F)cc1C#N	ZINC000599955720	553184596	/nfs/dbraw/zinc/18/45/96/553184596.db2.gz	OJPZWYVJTUQRAS-MLGOLLRUSA-N	1	0	374.416	1.587	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(F)cc1C#N	ZINC000599955908	553184684	/nfs/dbraw/zinc/18/46/84/553184684.db2.gz	LQNORESTQKSOPL-PWSUYJOCSA-N	1	0	360.389	1.386	20	30		FDEDRO
CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)Nc2cccc(C#N)c2)CC1	ZINC000600086463	553215798	/nfs/dbraw/zinc/21/57/98/553215798.db2.gz	GJAJMIMROWYGQI-UHFFFAOYSA-N	1	0	370.453	1.600	20	30		FDEDRO
CNC(=O)c1cccc(CC[NH2+]C[C@H](O)COc2ccccc2C#N)c1	ZINC000600722907	553307089	/nfs/dbraw/zinc/30/70/89/553307089.db2.gz	JQGWHGWLCMXGTD-SFHVURJKSA-N	1	0	353.422	1.490	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1	ZINC000600721103	553307090	/nfs/dbraw/zinc/30/70/90/553307090.db2.gz	SHKXSGUUKVSIRB-UKRRQHHQSA-N	1	0	357.376	1.772	20	30		FDEDRO
C[C@@H]1CN(C(C)(C)C[NH2+]C[C@@H](O)COc2ccccc2C#N)C[C@H](C)O1	ZINC000600720500	553307137	/nfs/dbraw/zinc/30/71/37/553307137.db2.gz	ZFPRLJVXHCAMMV-SOLBZPMBSA-N	1	0	361.486	1.775	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]CCCS(=O)(=O)c2ccccc2)CCOCC1	ZINC000600721500	553307272	/nfs/dbraw/zinc/30/72/72/553307272.db2.gz	MVULRXNSWYNXME-INIZCTEOSA-N	1	0	366.483	1.511	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CS(=O)(=O)c2ccccc21	ZINC000600740474	553309489	/nfs/dbraw/zinc/30/94/89/553309489.db2.gz	VKMRZJLGOCSWNY-JKSUJKDBSA-N	1	0	372.446	1.459	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]CCc2cnc3c(Cl)cnn3c2)CCOCC1	ZINC000600740402	553309561	/nfs/dbraw/zinc/30/95/61/553309561.db2.gz	VBKSSLUQHWWBOI-AWEZNQCLSA-N	1	0	363.849	1.586	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H](CO)Cc1c[nH]c2ccccc12	ZINC000600742201	553310074	/nfs/dbraw/zinc/31/00/74/553310074.db2.gz	IYYYLLMRZYOOES-MSOLQXFVSA-N	1	0	365.433	1.972	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H](n2cccn2)C(F)(F)F)nc1	ZINC000600745331	553310180	/nfs/dbraw/zinc/31/01/80/553310180.db2.gz	HTWGRIZCQDQVFI-LBPRGKRZSA-N	1	0	373.360	1.317	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)CCOCC1	ZINC000600750461	553310942	/nfs/dbraw/zinc/31/09/42/553310942.db2.gz	WLTUOZNRQGUZMC-NLWGTHIKSA-N	1	0	362.445	1.953	20	30		FDEDRO
COc1ccc(CN2CC[C@@H]2C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)cc1	ZINC000600760263	553312201	/nfs/dbraw/zinc/31/22/01/553312201.db2.gz	QYVPMEZBCLDCHG-MOPGFXCFSA-N	1	0	373.497	1.930	20	30		FDEDRO
C[C@@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)c1ccc(C#N)cc1	ZINC000601303819	553372287	/nfs/dbraw/zinc/37/22/87/553372287.db2.gz	JCSHNRNNCUXURQ-OAHLLOKOSA-N	1	0	350.488	1.176	20	30		FDEDRO
N#CCc1ccccc1S(=O)(=O)NCCCC[N@H+]1CCC[C@H]1CO	ZINC000601353956	553383456	/nfs/dbraw/zinc/38/34/56/553383456.db2.gz	JIHMNRASMLORFW-INIZCTEOSA-N	1	0	351.472	1.268	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCN(CCC#N)CC1	ZINC000601593647	553442065	/nfs/dbraw/zinc/44/20/65/553442065.db2.gz	DRHQVTUJCUMZLS-IEBWSBKVSA-N	1	0	355.486	1.748	20	30		FDEDRO
N#CC1(C[C@@H](O)CN2C(=O)N[C@]3(CC[N@H+](Cc4ccccc4)C3)C2=O)CC1	ZINC000601957967	553495955	/nfs/dbraw/zinc/49/59/55/553495955.db2.gz	MBJBWZJTZMYWBJ-UZLBHIALSA-N	1	0	368.437	1.238	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C1	ZINC000602053686	553508979	/nfs/dbraw/zinc/50/89/79/553508979.db2.gz	ZLCWBOKAZOURGA-HNNXBMFYSA-N	1	0	366.469	1.717	20	30		FDEDRO
COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(C)[C@@H]1CCC[C@H]1C#N	ZINC000602073427	553513699	/nfs/dbraw/zinc/51/36/99/553513699.db2.gz	GDWJYKVVVJXZPA-GOEBONIOSA-N	1	0	358.442	1.846	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCN(CCC#N)CC2)ccc1C[NH+](C)C	ZINC000602080836	553515343	/nfs/dbraw/zinc/51/53/43/553515343.db2.gz	QSUWVQLOXSGFTJ-UHFFFAOYSA-N	1	0	357.458	1.053	20	30		FDEDRO
C[N@H+](CCc1ccccc1)CC(=O)N1CCN(c2cnccc2C#N)CC1	ZINC000602162321	553531999	/nfs/dbraw/zinc/53/19/99/553531999.db2.gz	XEPNWNDOSCWTGJ-UHFFFAOYSA-N	1	0	363.465	1.776	20	30		FDEDRO
C[NH+](C)C1CCN(CCNC(=O)N2CCc3c(CC#N)cccc3C2)CC1	ZINC000602290042	553557553	/nfs/dbraw/zinc/55/75/53/553557553.db2.gz	UCCCBWBPLOPEJP-UHFFFAOYSA-N	1	0	369.513	1.846	20	30		FDEDRO
C[C@@H](CCC#N)C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1	ZINC000602536590	553601008	/nfs/dbraw/zinc/60/10/08/553601008.db2.gz	IDJDAVGUTKWWHC-IRXDYDNUSA-N	1	0	358.490	1.811	20	30		FDEDRO
C=C(C)C[C@H](NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1)C(=O)OC	ZINC000602599086	553610399	/nfs/dbraw/zinc/61/03/99/553610399.db2.gz	GPAPIQWAEDWRPU-SFHVURJKSA-N	1	0	373.497	1.994	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCCC[C@H]1NS(C)(=O)=O	ZINC000602661176	553619735	/nfs/dbraw/zinc/61/97/35/553619735.db2.gz	KEDTZDVEYVCWRU-BZUAXINKSA-N	1	0	357.520	1.783	20	30		FDEDRO
N#Cc1cccc(C[NH2+]C[C@]2(CO)COCCN2Cc2ccccc2)n1	ZINC000602712203	553625985	/nfs/dbraw/zinc/62/59/85/553625985.db2.gz	BMZPOJQUGRYZHC-FQEVSTJZSA-N	1	0	352.438	1.306	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000602817145	553643571	/nfs/dbraw/zinc/64/35/71/553643571.db2.gz	STGQQKXJNVJJCK-GOSISDBHSA-N	1	0	371.485	1.785	20	30		FDEDRO
C[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H](C)N1CC#N	ZINC000602864421	553654517	/nfs/dbraw/zinc/65/45/17/553654517.db2.gz	QLTOYGMDCUCBLA-OKILXGFUSA-N	1	0	357.414	1.402	20	30		FDEDRO
Cc1cc(NC(=O)N2CCN(CCC#N)CC2)n(C2CC[NH+](C)CC2)n1	ZINC000602883041	553659177	/nfs/dbraw/zinc/65/91/77/553659177.db2.gz	GCNWYFWQALITQG-UHFFFAOYSA-N	1	0	359.478	1.521	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CC[NH+](C[C@@H]4CCc5ncnn54)CC3)n[nH]2)cc1	ZINC000602890381	553661775	/nfs/dbraw/zinc/66/17/75/553661775.db2.gz	XTMZEHVVEASXLL-KRWDZBQOSA-N	1	0	374.452	1.849	20	30		FDEDRO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@@](O)(C[NH+](C)C)C1	ZINC000602889883	553661837	/nfs/dbraw/zinc/66/18/37/553661837.db2.gz	FQWDOYZUKXBZLI-LNXHZJMOSA-N	1	0	364.534	1.694	20	30		FDEDRO
Cc1csc(CC2(O)CC[NH+](CCC(=O)N(C)CCC#N)CC2)n1	ZINC000602893703	553662945	/nfs/dbraw/zinc/66/29/45/553662945.db2.gz	SPJJGWRHQQFQSX-UHFFFAOYSA-N	1	0	350.488	1.583	20	30		FDEDRO
CN(C(=O)C[NH2+][C@H]([C@H]1CCCO1)C1(CO)CCC1)C1(C#N)CCCCC1	ZINC000602892777	553663017	/nfs/dbraw/zinc/66/30/17/553663017.db2.gz	TWGMCHZXEFJIBL-SJLPKXTDSA-N	1	0	363.502	1.971	20	30		FDEDRO
C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C[C@H](O)COc1ccc(C#N)cc1	ZINC000602912838	553667491	/nfs/dbraw/zinc/66/74/91/553667491.db2.gz	LOAMFJWHPBXCLL-MOPGFXCFSA-N	1	0	373.497	1.873	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1	ZINC000602924760	553670648	/nfs/dbraw/zinc/67/06/48/553670648.db2.gz	QRNUVYOHHKFJPX-PWIZWCRZSA-N	1	0	354.406	1.422	20	30		FDEDRO
C[C@]12C[NH+](Cc3ccc(C#N)cc3Br)C[C@]1(C)C(=O)NC2=O	ZINC000602936207	553673776	/nfs/dbraw/zinc/67/37/76/553673776.db2.gz	OBQKZQYOHUFNCM-HZPDHXFCSA-N	1	0	362.227	1.805	20	30		FDEDRO
C[C@H]1CN(C(=O)N=c2ccn(C3CC[NH+](C)CC3)[nH]2)C[C@H](C)N1CC#N	ZINC000602995590	553688338	/nfs/dbraw/zinc/68/83/38/553688338.db2.gz	GBPDYOIFXJMQNG-GJZGRUSLSA-N	1	0	359.478	1.600	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)n1cc(CC[NH+](C)C)nn1	ZINC000603197568	553729820	/nfs/dbraw/zinc/72/98/20/553729820.db2.gz	OASAVIVXJKZSOW-OAHLLOKOSA-N	1	0	370.457	1.899	20	30		FDEDRO
Cc1ccc(C[N@@H+]2CCCN(C(=O)Cn3cc(CCC#N)nn3)CC2)cc1	ZINC000603218608	553735128	/nfs/dbraw/zinc/73/51/28/553735128.db2.gz	JHWIPDGFCAMGBR-UHFFFAOYSA-N	1	0	366.469	1.777	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](n3cc([C@H]4CCC[NH2+]C4)nn3)C2=O)cc1	ZINC000603233476	553737536	/nfs/dbraw/zinc/73/75/36/553737536.db2.gz	ABLKXEPDCUEKQM-YJBOKZPZSA-N	1	0	350.426	1.985	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(c3c(C#N)cnn3-c3ccccc3)CC2)C1	ZINC000603292051	553756655	/nfs/dbraw/zinc/75/66/55/553756655.db2.gz	HBKOHOWACLSGAB-LJQANCHMSA-N	1	0	350.470	1.960	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(c3cc(C#N)c(Br)cn3)CC2)C1	ZINC000603299060	553758340	/nfs/dbraw/zinc/75/83/40/553758340.db2.gz	RZPYIWHPGBUMFD-AWEZNQCLSA-N	1	0	364.291	1.932	20	30		FDEDRO
COC(=O)CC[N@@H+]1CCN(c2cc(C#N)c(Br)cn2)[C@H](C)C1	ZINC000603330403	553765064	/nfs/dbraw/zinc/76/50/64/553765064.db2.gz	OLLPWGGDELMKSR-LLVKDONJSA-N	1	0	367.247	1.789	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(C)(C)O)CCN1c1cc(C#N)c(Br)cn1	ZINC000603352359	553769730	/nfs/dbraw/zinc/76/97/30/553769730.db2.gz	FAHZSANAEIJWGC-LLVKDONJSA-N	1	0	353.264	1.997	20	30		FDEDRO
CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)c1ccnc(C#N)n1	ZINC000603402347	553780412	/nfs/dbraw/zinc/78/04/12/553780412.db2.gz	PBWMZNYUCWSXQE-UHFFFAOYSA-N	1	0	364.409	1.012	20	30		FDEDRO
N#CCC1CCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1	ZINC000603436564	553788431	/nfs/dbraw/zinc/78/84/31/553788431.db2.gz	KZOOAJXVFKJFKM-GOSISDBHSA-N	1	0	363.506	1.118	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]CCN2CCc3ccccc3C2)cc1	ZINC000603557384	553800685	/nfs/dbraw/zinc/80/06/85/553800685.db2.gz	JWSDRVWLBVHHII-FQEVSTJZSA-N	1	0	351.450	1.946	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000603823206	553819320	/nfs/dbraw/zinc/81/93/20/553819320.db2.gz	MGYUTJLOZBUHCK-GDZNZVCISA-N	1	0	366.487	1.428	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1	ZINC000603886065	553824319	/nfs/dbraw/zinc/82/43/19/553824319.db2.gz	NRUAHTNDJHLCEW-UHFFFAOYSA-N	1	0	355.373	1.089	20	30		FDEDRO
Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2C[C@H]3C[NH2+]C[C@@H]3C2)c1C#N	ZINC000603909592	553829261	/nfs/dbraw/zinc/82/92/61/553829261.db2.gz	DFOPLMPXJSXCJB-HZPDHXFCSA-N	1	0	367.453	1.708	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1	ZINC000604323610	553862542	/nfs/dbraw/zinc/86/25/42/553862542.db2.gz	ZFOMQPCVMGIHKR-HDICACEKSA-N	1	0	351.454	1.711	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC1	ZINC000609109027	554338148	/nfs/dbraw/zinc/33/81/48/554338148.db2.gz	OHYLQNSDZMFWFE-IBGZPJMESA-N	1	0	356.470	1.754	20	30		FDEDRO
C[NH+](C)CC(=O)N1CCN(C(=O)c2cc3ccccc3n2CC#N)CC1	ZINC000609163312	554345033	/nfs/dbraw/zinc/34/50/33/554345033.db2.gz	ZVBBIGUDXLRDPR-UHFFFAOYSA-N	1	0	353.426	1.011	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC1CCN(CC#N)CC1	ZINC000609341314	554369814	/nfs/dbraw/zinc/36/98/14/554369814.db2.gz	POBDUHRIPQCUHX-UHFFFAOYSA-N	1	0	368.485	1.619	20	30		FDEDRO
C[C@@H]([NH2+]C1CCN(CC#N)CC1)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000610420505	554503166	/nfs/dbraw/zinc/50/31/66/554503166.db2.gz	CTRFCBUYXYHXEE-CQSZACIVSA-N	1	0	350.488	1.575	20	30		FDEDRO
CCN1CCO[C@@H](C(=O)N[C@H](C#N)c2ccccc2Br)C1	ZINC000610428946	554504794	/nfs/dbraw/zinc/50/47/94/554504794.db2.gz	ABKCDAHKUXJBFL-ZIAGYGMSSA-N	1	0	352.232	1.851	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C	ZINC000610451787	554509434	/nfs/dbraw/zinc/50/94/34/554509434.db2.gz	JOXBKGDTJPLNGY-DLBZAZTESA-N	1	0	358.486	1.983	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1	ZINC000610778040	554561358	/nfs/dbraw/zinc/56/13/58/554561358.db2.gz	CJYGEOXOZDHPID-UHFFFAOYSA-N	1	0	370.413	1.292	20	30		FDEDRO
Cc1nnc2n1C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)CC2	ZINC000611014438	554594204	/nfs/dbraw/zinc/59/42/04/554594204.db2.gz	OABSVPJOOADJGL-SFHVURJKSA-N	1	0	366.469	1.611	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)C1	ZINC000611055570	554600258	/nfs/dbraw/zinc/60/02/58/554600258.db2.gz	QXFCWVZEQAKAOR-CQSZACIVSA-N	1	0	369.450	1.831	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1	ZINC000611209087	554615510	/nfs/dbraw/zinc/61/55/10/554615510.db2.gz	DUHSYTKCCSCQIM-DOHHPOSVSA-N	1	0	360.502	1.905	20	30		FDEDRO
CC[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1OCC(=O)NC	ZINC000611379715	554629851	/nfs/dbraw/zinc/62/98/51/554629851.db2.gz	BNHSCJCDQBACGL-OXQOHEQNSA-N	1	0	372.469	1.661	20	30		FDEDRO
CC(C)[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)C(=O)N1CCCC1	ZINC000611395709	554630447	/nfs/dbraw/zinc/63/04/47/554630447.db2.gz	SHZVIPRQLKAAKK-HKUYNNGSSA-N	1	0	359.470	1.729	20	30		FDEDRO
Cc1onc(CC(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)c1C#N	ZINC000611527754	554642002	/nfs/dbraw/zinc/64/20/02/554642002.db2.gz	VETOBRYLATZKLZ-UHFFFAOYSA-N	1	0	355.398	1.327	20	30		FDEDRO
C[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000611544839	554644606	/nfs/dbraw/zinc/64/46/06/554644606.db2.gz	ZCZWKJBUDPTWBQ-RDJZCZTQSA-N	1	0	355.442	1.447	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1	ZINC000611875707	554694669	/nfs/dbraw/zinc/69/46/69/554694669.db2.gz	UPEGWHMLRKMJEY-QZTJIDSGSA-N	1	0	363.502	1.322	20	30		FDEDRO
CC(=O)NC1CCC([N@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000612181353	554746847	/nfs/dbraw/zinc/74/68/47/554746847.db2.gz	CGDARXBTNLWGRK-CTWPCTMYSA-N	1	0	359.470	1.871	20	30		FDEDRO
COC1CC[NH+](CCNC(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1	ZINC000613156331	554893636	/nfs/dbraw/zinc/89/36/36/554893636.db2.gz	RFBZJWOZBWYIIT-UHFFFAOYSA-N	1	0	369.429	1.371	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO	ZINC000613385300	554919909	/nfs/dbraw/zinc/91/99/09/554919909.db2.gz	PNXFKVYWPUYFDB-PMACEKPBSA-N	1	0	373.497	1.730	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H](CO)[C@H](C)c2ccccc2)CC1	ZINC000613390784	554920882	/nfs/dbraw/zinc/92/08/82/554920882.db2.gz	YZWHGJLOJWMULP-RLLQIKCJSA-N	1	0	372.513	1.433	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2C1=O	ZINC000614124972	555013274	/nfs/dbraw/zinc/01/32/74/555013274.db2.gz	GNUADXFPHWDSHH-CABCVRRESA-N	1	0	353.422	1.825	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[N@H+](CCO)C(C)(C)C1	ZINC000614920778	555137469	/nfs/dbraw/zinc/13/74/69/555137469.db2.gz	QCEVANWXMXSETO-ZDUSSCGKSA-N	1	0	364.877	1.927	20	30		FDEDRO
N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1	ZINC000615632258	555223162	/nfs/dbraw/zinc/22/31/62/555223162.db2.gz	NWRNZVXLNXYQDC-IBGZPJMESA-N	1	0	358.417	1.728	20	30		FDEDRO
C=CCC1(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CCOCC1	ZINC000618247903	555599158	/nfs/dbraw/zinc/59/91/58/555599158.db2.gz	NSIRTHVSWHCJSQ-UHFFFAOYSA-N	1	0	358.486	1.835	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)cc1	ZINC000618308080	555610405	/nfs/dbraw/zinc/61/04/05/555610405.db2.gz	MBANQPQTVKNQFK-HMXCVIKNSA-N	1	0	373.497	1.725	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000618766922	555675621	/nfs/dbraw/zinc/67/56/21/555675621.db2.gz	QDOZQEFNQSYWMI-YLJYHZDGSA-N	1	0	373.497	1.677	20	30		FDEDRO
C[N@H+](CCN1CCOC(C)(C)C1)C[C@H](O)COc1ccc(CC#N)cc1	ZINC000619052030	555717303	/nfs/dbraw/zinc/71/73/03/555717303.db2.gz	BIBSCVVDHYHREZ-SFHVURJKSA-N	1	0	361.486	1.535	20	30		FDEDRO
N#CCc1cccc(S(=O)(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c1	ZINC000619485860	555785982	/nfs/dbraw/zinc/78/59/82/555785982.db2.gz	OBRHQVHKMMULPT-MRXNPFEDSA-N	1	0	351.472	1.268	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(S(=O)(=O)c2cccc(CC#N)c2)CC1	ZINC000619485852	555786003	/nfs/dbraw/zinc/78/60/03/555786003.db2.gz	MGBPPAFEXCEPRJ-UHFFFAOYSA-N	1	0	351.472	1.220	20	30		FDEDRO
C[C@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)n1cnc(C#N)n1	ZINC000619594528	555805370	/nfs/dbraw/zinc/80/53/70/555805370.db2.gz	DILPDULMVZFENR-IOASZLSFSA-N	1	0	358.471	1.972	20	30		FDEDRO
C=CCOc1c(Cl)cc(C[NH2+]CCCN2CCNC(=O)C2)cc1OC	ZINC000623557719	556443404	/nfs/dbraw/zinc/44/34/04/556443404.db2.gz	GLRAJECRMHNUBH-UHFFFAOYSA-N	1	0	367.877	1.825	20	30		FDEDRO
C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000624999196	556688581	/nfs/dbraw/zinc/68/85/81/556688581.db2.gz	WKNDRAFHORMOJG-MRXNPFEDSA-N	1	0	359.478	1.791	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[NH2+][C@@H](C1CC1)[C@]1(CO)CCCO1	ZINC000625449372	556810051	/nfs/dbraw/zinc/81/00/51/556810051.db2.gz	BTMFOUCDBATDSP-GHTZIAJQSA-N	1	0	368.433	1.196	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)c1	ZINC000631994079	558081205	/nfs/dbraw/zinc/08/12/05/558081205.db2.gz	FGKRPTHKDZHDGD-NVXWUHKLSA-N	1	0	363.483	1.365	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1	ZINC000632511030	558168334	/nfs/dbraw/zinc/16/83/34/558168334.db2.gz	XBJQNVDJZBPXMU-UHFFFAOYSA-N	1	0	353.507	1.664	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1	ZINC000635207928	558614641	/nfs/dbraw/zinc/61/46/41/558614641.db2.gz	AFNYIECSBQOKKR-OAHLLOKOSA-N	1	0	359.474	1.903	20	30		FDEDRO
C[C@@H]([NH2+]CCC(=O)N(C)CCC#N)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000271858524	674389717	/nfs/dbraw/zinc/38/97/17/674389717.db2.gz	SXLCZABMQYHVMK-CQSZACIVSA-N	1	0	366.487	1.350	20	30		FDEDRO
C[NH+](C)C[C@H](O)COc1ccc(NS(=O)(=O)CC2(C#N)CC2)cc1	ZINC000463414965	567973768	/nfs/dbraw/zinc/97/37/68/567973768.db2.gz	HEHUNSOTBAHAPG-AWEZNQCLSA-N	1	0	353.444	1.033	20	30		FDEDRO
CC(C)NS(=O)(=O)NCC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21	ZINC000481990762	568215952	/nfs/dbraw/zinc/21/59/52/568215952.db2.gz	MQFREGOAKJRXOF-QGZVFWFLSA-N	1	0	350.488	1.748	20	30		FDEDRO
COCCn1nnc2c1CCN(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C2	ZINC000330346308	568275946	/nfs/dbraw/zinc/27/59/46/568275946.db2.gz	GJFOWHYGZZOTFN-UHFFFAOYSA-N	1	0	364.494	1.506	20	30		FDEDRO
C[C@H]1CN2CCCC[C@@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000408289063	568329002	/nfs/dbraw/zinc/32/90/02/568329002.db2.gz	BLOFRRDIMHWARX-QWHCGFSZSA-N	1	0	364.427	1.714	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@H](C)Oc1ccccc1-c1nn[nH]n1	ZINC000821181056	607322442	/nfs/dbraw/zinc/32/24/42/607322442.db2.gz	JGPGBIUSRWEIQC-GJZGRUSLSA-N	1	0	371.441	1.911	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(-c3nn[nH]n3)c2)CC1	ZINC000735399068	598369670	/nfs/dbraw/zinc/36/96/70/598369670.db2.gz	OSJUZPALRDGATO-UHFFFAOYSA-N	1	0	355.446	1.706	20	30		FDEDRO
C[NH+](C)CCNC(=O)C1CC[NH+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1	ZINC000830613786	601313731	/nfs/dbraw/zinc/31/37/31/601313731.db2.gz	GPVAIOWVCXMCBN-QGZVFWFLSA-N	1	0	358.442	1.074	20	30		FDEDRO
C=CCC[C@@H](O)C[NH+]1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1	ZINC000273452606	674538947	/nfs/dbraw/zinc/53/89/47/674538947.db2.gz	YHPJDXLGRGOBGS-IAGOWNOFSA-N	1	0	351.878	1.811	20	30		FDEDRO
Cc1cc(Br)cn2cc(CCNC(=[NH2+])N3CCOCC3)nc12	ZINC000273552750	674547591	/nfs/dbraw/zinc/54/75/91/674547591.db2.gz	ZAQOCFVYQBKTKA-UHFFFAOYSA-N	1	0	366.263	1.595	20	30		FDEDRO
Fc1cnc(N=NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)nc1	ZINC000826378593	608016536	/nfs/dbraw/zinc/01/65/36/608016536.db2.gz	REXNQGFTKVJLMN-UHFFFAOYSA-N	1	0	367.392	1.860	20	30		FDEDRO
COc1ccc(C[N@H+](C)CCCc2[nH]nc(N)c2C#N)cc1-c1nn[nH]n1	ZINC000826193041	608036573	/nfs/dbraw/zinc/03/65/73/608036573.db2.gz	NMASBOGNXJFLGM-UHFFFAOYSA-N	1	0	367.417	1.117	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CCNS(=O)(=O)CC2(C#N)CC2)cc1	ZINC000274225876	674588114	/nfs/dbraw/zinc/58/81/14/674588114.db2.gz	PCGFOMKMXVTYDL-UHFFFAOYSA-N	1	0	351.472	1.393	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1	ZINC000277086373	674853510	/nfs/dbraw/zinc/85/35/10/674853510.db2.gz	AYYDJUJCYYVPEV-INIZCTEOSA-N	1	0	365.499	1.707	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](CC)c2nc(C)cs2)CC1	ZINC000286508120	675896493	/nfs/dbraw/zinc/89/64/93/675896493.db2.gz	KTGBFFQNBZPFJA-AWEZNQCLSA-N	1	0	350.488	1.785	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NC[C@H](O)c1cc(F)cc(Cl)c1	ZINC000278390200	675131748	/nfs/dbraw/zinc/13/17/48/675131748.db2.gz	IVXHPKLFHYWZIT-HNNXBMFYSA-N	1	0	358.845	1.139	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)NCc1ccccc1)N1C[C@H](C)C[C@H](C)C1	ZINC000073068808	671398603	/nfs/dbraw/zinc/39/86/03/671398603.db2.gz	ZZQFYOSTPKWJNW-IYBDPMFKSA-N	1	0	366.531	1.659	20	30		FDEDRO
CCN(CC)[C@H](CNC(NCCN1CCOCC1)=[NH+]C)c1ccsc1	ZINC000104166795	671594686	/nfs/dbraw/zinc/59/46/86/671594686.db2.gz	AXZPZRSERVGCTR-QGZVFWFLSA-N	1	0	367.563	1.628	20	30		FDEDRO
C=C(Br)CNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1	ZINC000123704595	671729137	/nfs/dbraw/zinc/72/91/37/671729137.db2.gz	PLWQYHBLQHOSCQ-YIONKMFJSA-N	1	0	371.323	1.847	20	30		FDEDRO
C[NH+]=C(NCc1nc(C)c(C)s1)N[C@H]1CCCN(c2cnn(C)c2)C1	ZINC000128701546	671779043	/nfs/dbraw/zinc/77/90/43/671779043.db2.gz	KLQMYAVSOGKNOP-AWEZNQCLSA-N	1	0	361.519	1.827	20	30		FDEDRO
CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=[NH2+])NC[C@H]1CCCN1CC	ZINC000130860545	671798300	/nfs/dbraw/zinc/79/83/00/671798300.db2.gz	DVLRPRFXWZUUQP-JKSUJKDBSA-N	1	0	366.531	1.628	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCCO1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1	ZINC000152793773	671890008	/nfs/dbraw/zinc/89/00/08/671890008.db2.gz	CQSUYPIEXBNOHP-INIZCTEOSA-N	1	0	364.877	1.739	20	30		FDEDRO
C[NH+]=C(NCC(=O)NC(C)C)N[C@H]1CCN(c2c(F)cccc2F)C1	ZINC000154768457	671927863	/nfs/dbraw/zinc/92/78/63/671927863.db2.gz	BMKWEDQSQMQCSM-LBPRGKRZSA-N	1	0	353.417	1.233	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)NCCCC[N@H+]2CCC[C@H]2CO)cc1	ZINC000288210627	675976294	/nfs/dbraw/zinc/97/62/94/675976294.db2.gz	DAQWYWDHIMCSOZ-KRWDZBQOSA-N	1	0	351.472	1.215	20	30		FDEDRO
C#CCCC[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1	ZINC000178055583	672134535	/nfs/dbraw/zinc/13/45/35/672134535.db2.gz	AWHCCFSBESQTGA-CYBMUJFWSA-N	1	0	358.485	1.476	20	30		FDEDRO
C[NH+]=C(NCc1ccc(Cl)s1)N[C@@H]1CCc2nc(COC)nn2C1	ZINC000179214196	672156181	/nfs/dbraw/zinc/15/61/81/672156181.db2.gz	IEURUUKIEMIHEK-SNVBAGLBSA-N	1	0	368.894	1.819	20	30		FDEDRO
CCOc1ccc(OCC)c(NC(=[NH2+])NCCN2CCCOCC2)c1	ZINC000187856894	672287581	/nfs/dbraw/zinc/28/75/81/672287581.db2.gz	ONWYHEFBTGBLTP-UHFFFAOYSA-N	1	0	350.463	1.933	20	30		FDEDRO
CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=[NH2+])NC[C@@H]1CCCO1	ZINC000195523195	672408195	/nfs/dbraw/zinc/40/81/95/672408195.db2.gz	GEKMNLNAQMBKSB-AWEZNQCLSA-N	1	0	368.503	1.347	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCCC[C@H]2CO)CC1	ZINC000245608207	672453817	/nfs/dbraw/zinc/45/38/17/672453817.db2.gz	ADCLVKJEBXRWQY-JKSUJKDBSA-N	1	0	362.499	1.304	20	30		FDEDRO
CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)cc1	ZINC000252734235	672594809	/nfs/dbraw/zinc/59/48/09/672594809.db2.gz	HVHOQFKROGCUKI-MRXNPFEDSA-N	1	0	350.488	1.550	20	30		FDEDRO
C[NH+]=C(NCc1nc(C)no1)N1CCC(OC[C@H]2CCCCO2)CC1	ZINC000261614311	672636080	/nfs/dbraw/zinc/63/60/80/672636080.db2.gz	AOJMQEJUGARVDN-OAHLLOKOSA-N	1	0	351.451	1.504	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)N[C@H](C)Cc1ccc(C)s1	ZINC000261664312	672646371	/nfs/dbraw/zinc/64/63/71/672646371.db2.gz	BGPUJFMHCMTUCS-OCCSQVGLSA-N	1	0	372.560	1.434	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1ccsc1Br	ZINC000261687510	672651342	/nfs/dbraw/zinc/65/13/42/672651342.db2.gz	HIMHEKNWDKLQKA-UHFFFAOYSA-N	1	0	361.309	1.508	20	30		FDEDRO
C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)NC1C[C@H](C)C[C@@H](C)C1	ZINC000261688381	672651465	/nfs/dbraw/zinc/65/14/65/672651465.db2.gz	ROCUKBWISBAWRH-ZIAGYGMSSA-N	1	0	358.552	1.648	20	30		FDEDRO
C[NH+]=C(NC[C@H](O)C1CCCCC1)N1CCN(C[C@H]2CCOC2)CC1	ZINC000261766215	672667991	/nfs/dbraw/zinc/66/79/91/672667991.db2.gz	OSGVHNJBDIJEOT-AEFFLSMTSA-N	1	0	352.523	1.157	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CCN([C@H](C)C(F)(F)F)CC1	ZINC000261774849	672669987	/nfs/dbraw/zinc/66/99/87/672669987.db2.gz	GXKUVNSYUWBGDP-RQJABVFESA-N	1	0	362.440	1.944	20	30		FDEDRO
CC[NH+]=C(NCC1CCSCC1)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261776341	672670354	/nfs/dbraw/zinc/67/03/54/672670354.db2.gz	PPTGOEFTOJVGNC-UHFFFAOYSA-N	1	0	364.519	1.177	20	30		FDEDRO
C[NH+]=C(NCCc1cccs1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1	ZINC000261809725	672675574	/nfs/dbraw/zinc/67/55/74/672675574.db2.gz	SJIWCBFCSIWEIJ-KRWDZBQOSA-N	1	0	363.487	1.176	20	30		FDEDRO
C=C(Cl)CNC(=[NH+]CC)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1	ZINC000261949726	672700125	/nfs/dbraw/zinc/70/01/25/672700125.db2.gz	HASKXBMZCSIFKK-HNNXBMFYSA-N	1	0	355.914	1.333	20	30		FDEDRO
CC[NH+]=C(NCCc1cccc(O)c1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261953629	672700960	/nfs/dbraw/zinc/70/09/60/672700960.db2.gz	ICUPLWLOPLEMFA-UHFFFAOYSA-N	1	0	353.488	1.409	20	30		FDEDRO
CC[NH+]=C(NCCN1CCCCCC1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261954197	672700993	/nfs/dbraw/zinc/70/09/93/672700993.db2.gz	IFSOJXVDYBBRLV-UHFFFAOYSA-N	1	0	358.552	1.337	20	30		FDEDRO
CC[NH+]=C(NCCc1c(C)noc1C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261974107	672705451	/nfs/dbraw/zinc/70/54/51/672705451.db2.gz	NISOGNYNTXGPMF-UHFFFAOYSA-N	1	0	356.492	1.308	20	30		FDEDRO
[NH2+]=C(NCCCn1nc2n(c1=O)CCCC2)Nc1cc(F)ccc1F	ZINC000288752214	676049373	/nfs/dbraw/zinc/04/93/73/676049373.db2.gz	QYDKLEZZPCRQKU-UHFFFAOYSA-N	1	0	350.373	1.476	20	30		FDEDRO
C[NH+]=C(NCc1ccc(NS(C)(=O)=O)cc1)N1CC[C@@]2(CCOC2)C1	ZINC000261981352	672706612	/nfs/dbraw/zinc/70/66/12/672706612.db2.gz	OXSOKYWDHGWGPD-QGZVFWFLSA-N	1	0	366.487	1.246	20	30		FDEDRO
CC(C)NC(=[NH2+])NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1	ZINC000261997553	672708885	/nfs/dbraw/zinc/70/88/85/672708885.db2.gz	OJAADIMCPNYNSL-CQSZACIVSA-N	1	0	352.504	1.920	20	30		FDEDRO
COc1cc(CNC(=[NH2+])N2CCOCC2)cc(Br)c1OC	ZINC000262000437	672709793	/nfs/dbraw/zinc/70/97/93/672709793.db2.gz	PJRIQMQVYBEAKF-UHFFFAOYSA-N	1	0	358.236	1.613	20	30		FDEDRO
CC[NH+]=C(NC[C@H](O)c1ccc(F)cc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000262000402	672709804	/nfs/dbraw/zinc/70/98/04/672709804.db2.gz	UGDJYNIYZJLANV-HNNXBMFYSA-N	1	0	371.478	1.334	20	30		FDEDRO
C[NH+]=C(NCCn1ccnc1C)N[C@@H]1CCN(c2ncccc2Cl)C1	ZINC000262013266	672711738	/nfs/dbraw/zinc/71/17/38/672711738.db2.gz	XCIZCZBIAPWPRB-CQSZACIVSA-N	1	0	361.881	1.684	20	30		FDEDRO
CC[NH+]=C(NC[C@]1(O)CCSC1)N1CC[C@@H](Oc2ccccn2)C1	ZINC000262021670	672713086	/nfs/dbraw/zinc/71/30/86/672713086.db2.gz	YYGZWNYMXIGWAA-RHSMWYFYSA-N	1	0	350.488	1.368	20	30		FDEDRO
C[C@@H](NC(=[NH2+])NCCN1CCNC(=O)C1)c1ccc(Cl)cc1Cl	ZINC000262265153	672757988	/nfs/dbraw/zinc/75/79/88/672757988.db2.gz	TUUMDRBGRZKEOB-SNVBAGLBSA-N	1	0	358.273	1.391	20	30		FDEDRO
[NH2+]=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)N1CCSCC1	ZINC000262275360	672759993	/nfs/dbraw/zinc/75/99/93/672759993.db2.gz	KYWLRDCLLRUEPW-MRXNPFEDSA-N	1	0	352.479	1.563	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@@H]1CCOC2(CCSCC2)C1)=[NH+]C1CC1	ZINC000262318872	672768758	/nfs/dbraw/zinc/76/87/58/672768758.db2.gz	RKOUSKFOOLGKRC-CQSZACIVSA-N	1	0	354.520	1.217	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCOc2ccc(F)cc21	ZINC000262355725	672775931	/nfs/dbraw/zinc/77/59/31/672775931.db2.gz	FVWRKFQERZXQRV-SMDDNHRTSA-N	1	0	355.435	1.249	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)NC1CCN(C(C)=O)CC1	ZINC000262417366	672786230	/nfs/dbraw/zinc/78/62/30/672786230.db2.gz	MLPGCSUDNYIYPL-GVDBMIGSSA-N	1	0	350.507	1.756	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C	ZINC000262463054	672793808	/nfs/dbraw/zinc/79/38/08/672793808.db2.gz	XVNYVQSKCVMWMN-BYNSBNAKSA-N	1	0	357.520	1.180	20	30		FDEDRO
CS(=O)(=O)CC1(CNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)CC1	ZINC000262501521	672799794	/nfs/dbraw/zinc/79/97/94/672799794.db2.gz	YOFJJKGYXHVCNK-UHFFFAOYSA-N	1	0	368.478	1.087	20	30		FDEDRO
COc1ccc(OC)c(NC(=[NH2+])NC[C@@H]2CCCCN2S(C)(=O)=O)c1	ZINC000262665332	672827614	/nfs/dbraw/zinc/82/76/14/672827614.db2.gz	OMMQTLKIUWOTFS-LBPRGKRZSA-N	1	0	370.475	1.245	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)N1CCSCC1)NCC1CCCCC1	ZINC000262743334	672839550	/nfs/dbraw/zinc/83/95/50/672839550.db2.gz	JQMBEQMLFPEQLA-UHFFFAOYSA-N	1	0	362.565	1.110	20	30		FDEDRO
C[NH+]=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)NCC1CC1	ZINC000262746993	672840516	/nfs/dbraw/zinc/84/05/16/672840516.db2.gz	IXMDBYCHIJGAJL-UHFFFAOYSA-N	1	0	364.515	1.936	20	30		FDEDRO
C[S@](=O)C1(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)CC1	ZINC000262787439	672849360	/nfs/dbraw/zinc/84/93/60/672849360.db2.gz	MUDWZWFRIHLHJA-QHCPKHFHSA-N	1	0	354.907	1.688	20	30		FDEDRO
CC(C)(C)NC(=[NH2+])NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1	ZINC000264081444	672900129	/nfs/dbraw/zinc/90/01/29/672900129.db2.gz	HLQCFOKVOXHHHE-CQSZACIVSA-N	1	0	368.503	1.347	20	30		FDEDRO
CC(C)CNC(=[NH2+])NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1	ZINC000264120856	672901840	/nfs/dbraw/zinc/90/18/40/672901840.db2.gz	UWHXCEOSDOZZEW-OAHLLOKOSA-N	1	0	368.503	1.204	20	30		FDEDRO
[NH2+]=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)N1CCOCC1	ZINC000264136061	672903064	/nfs/dbraw/zinc/90/30/64/672903064.db2.gz	ZQKQPBCBZOCBME-MRXNPFEDSA-N	1	0	352.866	1.360	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NCCNC(=O)c1cccc(Br)c1	ZINC000264254120	672906133	/nfs/dbraw/zinc/90/61/33/672906133.db2.gz	HYDBDBZCZVCFBS-JTQLQIEISA-N	1	0	357.252	1.118	20	30		FDEDRO
N#CCCCCS(=O)(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1	ZINC000264552339	672917717	/nfs/dbraw/zinc/91/77/17/672917717.db2.gz	JITVLLFKTRXIOY-UHFFFAOYSA-N	1	0	365.503	1.207	20	30		FDEDRO
CCCC[NH+]=C(NCCOCCS(C)(=O)=O)NCc1ccc(C)cc1	ZINC000266088122	673052641	/nfs/dbraw/zinc/05/26/41/673052641.db2.gz	DCFAFLBGZMCIGK-UHFFFAOYSA-N	1	0	369.531	1.892	20	30		FDEDRO
N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCCN(C=O)CC1)CCCC2	ZINC000266109245	673057372	/nfs/dbraw/zinc/05/73/72/673057372.db2.gz	MFGZJONWSLYEKM-UHFFFAOYSA-N	1	0	360.483	1.991	20	30		FDEDRO
C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000289168478	676101188	/nfs/dbraw/zinc/10/11/88/676101188.db2.gz	MIDPKUPIDRMWPQ-HNNXBMFYSA-N	1	0	350.488	1.004	20	30		FDEDRO
C#CCSCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000267092811	673249210	/nfs/dbraw/zinc/24/92/10/673249210.db2.gz	UWVYXJXINXOHRF-QZTJIDSGSA-N	1	0	361.511	1.535	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1nc(C(F)(F)F)cs1	ZINC000267385094	673299070	/nfs/dbraw/zinc/29/90/70/673299070.db2.gz	BIRXIKYXJZKFJG-UHFFFAOYSA-N	1	0	351.398	1.289	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000267454543	673305827	/nfs/dbraw/zinc/30/58/27/673305827.db2.gz	ZTGRWGQXOIQZAU-UHFFFAOYSA-N	1	0	353.448	1.033	20	30		FDEDRO
CCC(CC)(CC(=O)OC)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000289898947	676183203	/nfs/dbraw/zinc/18/32/03/676183203.db2.gz	MVEANRGNAZFPPQ-UHFFFAOYSA-N	1	0	353.444	1.438	20	30		FDEDRO
C=C[C@@H](CO)[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1	ZINC000289782881	676177898	/nfs/dbraw/zinc/17/78/98/676177898.db2.gz	MVSRLTVAWQLUES-ZFWWWQNUSA-N	1	0	350.440	1.956	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N(CC[NH+](C)C)Cc1cccs1	ZINC000281838040	675567017	/nfs/dbraw/zinc/56/70/17/675567017.db2.gz	WJJCHVQJSUZBJW-UHFFFAOYSA-N	1	0	374.532	1.219	20	30		FDEDRO
C[C@H](CCNS(=O)(=O)N(C)C[C@H](C)C#N)[N@H+](C)Cc1ccccc1	ZINC000281841288	675567403	/nfs/dbraw/zinc/56/74/03/675567403.db2.gz	WWPHFMTVOUGRIZ-HZPDHXFCSA-N	1	0	352.504	1.823	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000282478272	675629681	/nfs/dbraw/zinc/62/96/81/675629681.db2.gz	XLALXZVUWQUOEF-RYRKJORJSA-N	1	0	364.515	1.823	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1	ZINC000282988298	675645999	/nfs/dbraw/zinc/64/59/99/675645999.db2.gz	MRJHRPBHIHDVBX-CQSZACIVSA-N	1	0	356.467	1.668	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NCc1nccs1)C(C)C	ZINC000284007009	675666982	/nfs/dbraw/zinc/66/69/82/675666982.db2.gz	KKINNGNSLDONPC-CQSZACIVSA-N	1	0	350.488	1.574	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1	ZINC000284026978	675669682	/nfs/dbraw/zinc/66/96/82/675669682.db2.gz	KTNZLRFSZWEJKT-UHFFFAOYSA-N	1	0	361.511	1.934	20	30		FDEDRO
COc1ccc(Br)c(C(=O)NCCCNC2=[NH+]C[C@@H](C)N2)c1	ZINC000285075614	675793357	/nfs/dbraw/zinc/79/33/57/675793357.db2.gz	MYHPHUOCCRZJAW-SNVBAGLBSA-N	1	0	369.263	1.515	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cc(F)cc(F)c1F	ZINC000294727233	676396395	/nfs/dbraw/zinc/39/63/95/676396395.db2.gz	KMMBMFXZHCBVPH-UHFFFAOYSA-N	1	0	356.348	1.736	20	30		FDEDRO
Cc1cc(N2CCC(NS(=O)(=O)CC(C)(C)CC#N)CC2)nc(C)n1	ZINC000296372102	676418147	/nfs/dbraw/zinc/41/81/47/676418147.db2.gz	ROMALJRRCAZPNF-UHFFFAOYSA-N	1	0	365.503	1.922	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCC(CNC(=O)C(F)(F)F)CC1	ZINC000296489473	676418892	/nfs/dbraw/zinc/41/88/92/676418892.db2.gz	AQGVMRCQZOZGNY-UHFFFAOYSA-N	1	0	362.396	1.042	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCc1ccncc1OCC(F)(F)F	ZINC000296669703	676419873	/nfs/dbraw/zinc/41/98/73/676419873.db2.gz	AMWXMCSEZCNYSM-UHFFFAOYSA-N	1	0	358.364	1.777	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CNS(=O)(=O)CC(C)(C)CC#N)cc1	ZINC000296687006	676420301	/nfs/dbraw/zinc/42/03/01/676420301.db2.gz	JDNWMOIQMLUEHA-UHFFFAOYSA-N	1	0	353.488	1.986	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)CC(=O)NCCC[NH+]2CCCCC2)cc1	ZINC000298824959	676498298	/nfs/dbraw/zinc/49/82/98/676498298.db2.gz	VNPGZDIMIXQFFF-UHFFFAOYSA-N	1	0	363.483	1.465	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)C1	ZINC000299374392	676531647	/nfs/dbraw/zinc/53/16/47/676531647.db2.gz	QJKXTXWJNXOFOT-KGLIPLIRSA-N	1	0	364.877	1.927	20	30		FDEDRO
[NH2+]=C(NCCOC[C@@H]1CCCO1)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000304739957	676544152	/nfs/dbraw/zinc/54/41/52/676544152.db2.gz	BKSDQAPXDTUVNC-KRWDZBQOSA-N	1	0	366.893	1.972	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@@]2(C)CCCC[C@@H]2O)CC1	ZINC000304714742	676544191	/nfs/dbraw/zinc/54/41/91/676544191.db2.gz	MWTWSMLJLVEEDW-KBXCAEBGSA-N	1	0	354.495	1.795	20	30		FDEDRO
CS(=O)(=O)c1ccc(OCCNC(=[NH2+])NCCc2cccs2)cc1	ZINC000304755783	676544434	/nfs/dbraw/zinc/54/44/34/676544434.db2.gz	NBJSRLGDKYHLNX-UHFFFAOYSA-N	1	0	367.496	1.677	20	30		FDEDRO
CCCCCCCCNC(=[NH2+])NCCS(=O)(=O)N1CCSCC1	ZINC000304763364	676544610	/nfs/dbraw/zinc/54/46/10/676544610.db2.gz	WSOPHJWDILPCBI-UHFFFAOYSA-N	1	0	364.581	1.630	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCCCNC(=O)C(C)C)cc1OC	ZINC000305283618	676544970	/nfs/dbraw/zinc/54/49/70/676544970.db2.gz	CRRSUFSWQZTXDC-UHFFFAOYSA-N	1	0	350.463	1.313	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(Br)c(C)c1	ZINC000328042513	676597246	/nfs/dbraw/zinc/59/72/46/676597246.db2.gz	XRCAVDIJHWSNAY-UHFFFAOYSA-N	1	0	359.289	1.991	20	30		FDEDRO
O=C(NCC[N@@H+]1CCCOCC1)Nc1nc(CN2CCOCC2)cs1	ZINC000328611924	676599838	/nfs/dbraw/zinc/59/98/38/676599838.db2.gz	OWJCPKIFXZDQSQ-UHFFFAOYSA-N	1	0	369.491	1.024	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(N(C)S(C)(=O)=O)CC1	ZINC000328711308	676603453	/nfs/dbraw/zinc/60/34/53/676603453.db2.gz	NCPZKDJNQUORTH-MRXNPFEDSA-N	1	0	374.551	1.377	20	30		FDEDRO
COC[C@@H]1C[C@@H](OC)CN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000328970747	676614411	/nfs/dbraw/zinc/61/44/11/676614411.db2.gz	BGQMNDWPJYQUDL-HZMVEIRTSA-N	1	0	355.479	1.014	20	30		FDEDRO
O=C(CN1CCCS1(=O)=O)Nc1ccccc1C[NH+]1CCC(O)CC1	ZINC000328991238	676615178	/nfs/dbraw/zinc/61/51/78/676615178.db2.gz	DFHBEUBKLODEBM-UHFFFAOYSA-N	1	0	367.471	1.267	20	30		FDEDRO
CC(C)C[NH+]1CCC(NC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)CC1	ZINC000329019233	676616345	/nfs/dbraw/zinc/61/63/45/676616345.db2.gz	HHZDZQPYHUCQKI-KSZLIROESA-N	1	0	353.507	1.883	20	30		FDEDRO
CC(C)N1C(=O)N[C@@H]2CN(C(=O)N[C@@H](C)C[NH+]3CCCCC3)CC[C@@H]21	ZINC000329024298	676616545	/nfs/dbraw/zinc/61/65/45/676616545.db2.gz	JCHHWWMFUWDJKA-XHSDSOJGSA-N	1	0	351.495	1.856	20	30		FDEDRO
O=C(NCC1([NH+]2CCCC2)CCOCC1)c1sccc1-n1cnnn1	ZINC000329085464	676619157	/nfs/dbraw/zinc/61/91/57/676619157.db2.gz	GJGRAJOBBMEOHG-UHFFFAOYSA-N	1	0	362.459	1.673	20	30		FDEDRO
CC(C)N1C(=O)N[C@@H]2CN(C(=O)N[C@@H]3C[N@@H+](C(C)C)C[C@H]3C)CC[C@@H]21	ZINC000329098443	676619966	/nfs/dbraw/zinc/61/99/66/676619966.db2.gz	YTQLRJUKIRDVEN-FPCVCCKLSA-N	1	0	351.495	1.710	20	30		FDEDRO
O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)N1CCC[C@H]1CN1CCOCC1	ZINC000329130096	676621656	/nfs/dbraw/zinc/62/16/56/676621656.db2.gz	WPUZDZHTGXTSJT-SOLBZPMBSA-N	1	0	353.463	1.035	20	30		FDEDRO
CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)Nc2nc3c(s2)COCC3)C1	ZINC000329188393	676624039	/nfs/dbraw/zinc/62/40/39/676624039.db2.gz	PJHRKOHIPDTDII-STQMWFEESA-N	1	0	366.487	1.946	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)CNC(=O)C3CCCCC3)C2)CC1	ZINC000329193932	676624510	/nfs/dbraw/zinc/62/45/10/676624510.db2.gz	UJUJALFDZKMXIT-QGZVFWFLSA-N	1	0	350.507	1.762	20	30		FDEDRO
NC(=O)[C@@]1(O)CCN(CC(=O)Nc2nc(CN3CCCC3)cs2)C1	ZINC000329212419	676625557	/nfs/dbraw/zinc/62/55/57/676625557.db2.gz	ZWHMRCJMWHGEQK-OAHLLOKOSA-N	1	0	353.448	1.299	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1	ZINC000329230674	676626972	/nfs/dbraw/zinc/62/69/72/676626972.db2.gz	DRGOYUFZXYDMCV-OWCLPIDISA-N	1	0	353.463	1.224	20	30		FDEDRO
C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1	ZINC000329245139	676628246	/nfs/dbraw/zinc/62/82/46/676628246.db2.gz	QJFHXXOOBVFYBR-OWCLPIDISA-N	1	0	353.463	1.224	20	30		FDEDRO
Cc1nc([C@@H]2CN(C(=O)NCC3([NH+](C)C)CCCCC3)CCO2)no1	ZINC000329266981	676629459	/nfs/dbraw/zinc/62/94/59/676629459.db2.gz	CZOIAFVOGAACJU-AWEZNQCLSA-N	1	0	351.451	1.930	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C[N@@H+]1C1CC1	ZINC000329267855	676629791	/nfs/dbraw/zinc/62/97/91/676629791.db2.gz	HWWDCPDMWPZUPM-MGPQQGTHSA-N	1	0	370.519	1.072	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCCN(CC(F)(F)F)C3=O)[C@H]2C1	ZINC000329288424	676631198	/nfs/dbraw/zinc/63/11/98/676631198.db2.gz	PSBJOTFBAUJHJE-UPJWGTAASA-N	1	0	362.396	1.480	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)CC[N@@H+]1C	ZINC000329307400	676632272	/nfs/dbraw/zinc/63/22/72/676632272.db2.gz	ZCLZWXLSGRJTJD-HPTBWKMGSA-N	1	0	351.451	1.880	20	30		FDEDRO
CS(=O)(=O)N1CCC[C@H](NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1	ZINC000329330048	676633415	/nfs/dbraw/zinc/63/34/15/676633415.db2.gz	VNTZTXKOYBKOSZ-JKSUJKDBSA-N	1	0	372.535	1.275	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CSCN1C(=O)C1CCC1	ZINC000329336534	676633809	/nfs/dbraw/zinc/63/38/09/676633809.db2.gz	YCCFTGVZYLBGNP-HIFRSBDPSA-N	1	0	354.520	1.280	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CSCN1C(=O)C1CCC1	ZINC000329336535	676633890	/nfs/dbraw/zinc/63/38/90/676633890.db2.gz	YCCFTGVZYLBGNP-UKRRQHHQSA-N	1	0	354.520	1.280	20	30		FDEDRO
C[NH+]1CCC(C)(CNC(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)CC1	ZINC000329362960	676635361	/nfs/dbraw/zinc/63/53/61/676635361.db2.gz	ZFMBKUWQIJFSRZ-LBPRGKRZSA-N	1	0	364.412	1.775	20	30		FDEDRO
Cc1nccn1C[C@H](C)CNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O	ZINC000329404592	676637338	/nfs/dbraw/zinc/63/73/38/676637338.db2.gz	YYZNIAVGIWJUCA-XLNGHYISSA-N	1	0	350.463	1.603	20	30		FDEDRO
CC(=O)N[C@H]1CCCN(C(=O)CN2CCC([NH+]3CCCCC3)CC2)C1	ZINC000329536472	676643024	/nfs/dbraw/zinc/64/30/24/676643024.db2.gz	LWIAZJYYFFQJJR-KRWDZBQOSA-N	1	0	350.507	1.904	20	30		FDEDRO
Cc1nnc([C@H](C)NC(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)s1	ZINC000329566695	676644477	/nfs/dbraw/zinc/64/44/77/676644477.db2.gz	KWZLZZJTFQALAU-ZFWWWQNUSA-N	1	0	366.535	1.923	20	30		FDEDRO
CCO[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)C12CCCC2	ZINC000329568697	676644512	/nfs/dbraw/zinc/64/45/12/676644512.db2.gz	ICRWTMYGYAIFLG-CBBWQLFWSA-N	1	0	358.504	1.846	20	30		FDEDRO
C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1cccc(N2CCCS2(=O)=O)c1	ZINC000329695440	676649806	/nfs/dbraw/zinc/64/98/06/676649806.db2.gz	XLBGRZWDYYQAJB-ZIAGYGMSSA-N	1	0	366.487	1.796	20	30		FDEDRO
CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NC[C@@H]1C[N@H+](C)CCN1C	ZINC000329749699	676652924	/nfs/dbraw/zinc/65/29/24/676652924.db2.gz	HPCCRUFTODSGPS-XHSDSOJGSA-N	1	0	353.511	1.613	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)CC[N@@H+]1C	ZINC000329769150	676654589	/nfs/dbraw/zinc/65/45/89/676654589.db2.gz	HLLJXYGIIJIQMX-NFAWXSAZSA-N	1	0	351.472	1.891	20	30		FDEDRO
CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCCS(=O)(=O)C2)C1	ZINC000329781558	676655529	/nfs/dbraw/zinc/65/55/29/676655529.db2.gz	NIBUYVYTQJHUSM-CABCVRRESA-N	1	0	359.536	1.968	20	30		FDEDRO
CN1CC[NH+](CC2(C)CCN(C(=O)NCCc3nccs3)CC2)CC1	ZINC000329786985	676656168	/nfs/dbraw/zinc/65/61/68/676656168.db2.gz	QXAUYLQAVWLVQT-UHFFFAOYSA-N	1	0	365.547	1.949	20	30		FDEDRO
Cc1nc(CN2CCN(C(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)cs1	ZINC000329812935	676658172	/nfs/dbraw/zinc/65/81/72/676658172.db2.gz	SKVNORSIKXALLP-DZGCQCFKSA-N	1	0	351.520	1.966	20	30		FDEDRO
CCc1nsc(N2CCCN(C(=O)NC[C@@H]3CCC[N@@H+]3C)CC2)n1	ZINC000329836389	676659976	/nfs/dbraw/zinc/65/99/76/676659976.db2.gz	VDKQKEPTITWJSD-ZDUSSCGKSA-N	1	0	352.508	1.621	20	30		FDEDRO
CN(C[C@H]1CC[N@H+](C)C1)C(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1	ZINC000329881183	676662147	/nfs/dbraw/zinc/66/21/47/676662147.db2.gz	OEDBSCVIPFELOA-HOTGVXAUSA-N	1	0	350.507	1.965	20	30		FDEDRO
CC1(C)C(=O)NC(=O)N1CC(=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000329902902	676663213	/nfs/dbraw/zinc/66/32/13/676663213.db2.gz	PSBYTIQAAGKOSD-UHFFFAOYSA-N	1	0	352.435	1.759	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCC2CCN(C(=O)N[C@H]3[C@@H]4COC[C@@H]43)CC2)C[C@H](C)O1	ZINC000330010947	676668573	/nfs/dbraw/zinc/66/85/73/676668573.db2.gz	HLEFQHLSRIVCLM-GZUVBVDASA-N	1	0	351.491	1.757	20	30		FDEDRO
CCO[C@@H]1C[C@H](O)C12CCN(C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)CC2	ZINC000330100303	676672516	/nfs/dbraw/zinc/67/25/16/676672516.db2.gz	DUICXBWPRFSHAM-BHYGNILZSA-N	1	0	351.491	1.803	20	30		FDEDRO
C[C@H](CO[C@@H]1CCOC1)NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	ZINC000330200483	676678054	/nfs/dbraw/zinc/67/80/54/676678054.db2.gz	AHRKSBZHZSPRSS-HLLBOEOZSA-N	1	0	355.479	1.280	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[NH+](CC2CC2)CC1	ZINC000330242991	676680377	/nfs/dbraw/zinc/68/03/77/676680377.db2.gz	WOUOAEXFNQHJFQ-MSOLQXFVSA-N	1	0	350.507	1.306	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000330380482	676687299	/nfs/dbraw/zinc/68/72/99/676687299.db2.gz	UQHMVTNNWZSRCB-SOLBZPMBSA-N	1	0	364.515	1.823	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)C1	ZINC000330743342	676702951	/nfs/dbraw/zinc/70/29/51/676702951.db2.gz	UBXLZBFCRHNCDG-OAGGEKHMSA-N	1	0	374.551	1.328	20	30		FDEDRO
CCOC(=O)C(C)(C)n1cc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cn1	ZINC000330895276	676708593	/nfs/dbraw/zinc/70/85/93/676708593.db2.gz	RTXAVBOMZQXWQH-OLZOCXBDSA-N	1	0	351.451	1.751	20	30		FDEDRO
COc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1S(=O)(=O)N(C)C	ZINC000330911858	676709919	/nfs/dbraw/zinc/70/99/19/676709919.db2.gz	QMLYCSSAZUNQOL-GXTWGEPZSA-N	1	0	369.487	1.733	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1c[nH]c(=O)c(Br)c1	ZINC000330913557	676710063	/nfs/dbraw/zinc/71/00/63/676710063.db2.gz	XQMRLGRHTUFILB-JTQLQIEISA-N	1	0	357.252	1.490	20	30		FDEDRO
C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(S(C)(=O)=O)s1	ZINC000330948348	676710767	/nfs/dbraw/zinc/71/07/67/676710767.db2.gz	IFKAYTPPXUBLTR-YPMHNXCESA-N	1	0	359.517	1.838	20	30		FDEDRO
Cc1c(CNC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cccc1[N+](=O)[O-]	ZINC000331106186	676716837	/nfs/dbraw/zinc/71/68/37/676716837.db2.gz	QWZWURDNFNREDV-STQMWFEESA-N	1	0	350.419	1.704	20	30		FDEDRO
Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)N2CC[C@H]([NH+](C)C)C2)cc1	ZINC000331161866	676719418	/nfs/dbraw/zinc/71/94/18/676719418.db2.gz	KYGSWTQNQCIQLG-GJZGRUSLSA-N	1	0	353.488	1.707	20	30		FDEDRO
CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](CS(C)(=O)=O)C1	ZINC000331186189	676720791	/nfs/dbraw/zinc/72/07/91/676720791.db2.gz	YSXJGVRKMLJHFY-JKSUJKDBSA-N	1	0	359.536	1.777	20	30		FDEDRO
CCOC(=O)C1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1	ZINC000331274074	676725289	/nfs/dbraw/zinc/72/52/89/676725289.db2.gz	BKYPKPVXPKWHSO-UHFFFAOYSA-N	1	0	354.495	1.202	20	30		FDEDRO
CCOC(=O)[C@H]1CCCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1	ZINC000331278742	676725474	/nfs/dbraw/zinc/72/54/74/676725474.db2.gz	SMYJHSRFUZGVPZ-HNNXBMFYSA-N	1	0	354.495	1.202	20	30		FDEDRO
CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@@H](S(N)(=O)=O)C2)CC1	ZINC000331301740	676726475	/nfs/dbraw/zinc/72/64/75/676726475.db2.gz	RRGJXWJAFNIOKC-OAHLLOKOSA-N	1	0	360.524	1.021	20	30		FDEDRO
CC(C)S(=O)(=O)N1CCC(NC(=O)N(C)CC[NH+]2CCCC2)CC1	ZINC000331354124	676728639	/nfs/dbraw/zinc/72/86/39/676728639.db2.gz	ZEGNLRKQFYQOHT-UHFFFAOYSA-N	1	0	360.524	1.131	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1	ZINC000332736630	676746529	/nfs/dbraw/zinc/74/65/29/676746529.db2.gz	YSBKMBZJWMGNCV-OAHLLOKOSA-N	1	0	364.515	1.749	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)c1C#N	ZINC000360700240	676872689	/nfs/dbraw/zinc/87/26/89/676872689.db2.gz	RXVRMSQSFMVDLF-JKSUJKDBSA-N	1	0	363.483	1.477	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(OC[C@H]2CCCCO2)CC1	ZINC000361017312	676881484	/nfs/dbraw/zinc/88/14/84/676881484.db2.gz	GGCPBTYHODEXNT-GDBMZVCRSA-N	1	0	353.463	1.437	20	30		FDEDRO
N#Cc1nc(N2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)ccc1Cl	ZINC000362136808	676909668	/nfs/dbraw/zinc/90/96/68/676909668.db2.gz	MZUUULVOIDYAGW-LBPRGKRZSA-N	1	0	354.863	1.352	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1Cl	ZINC000363107906	676935441	/nfs/dbraw/zinc/93/54/41/676935441.db2.gz	OABDMCSEFUOPJX-KGLIPLIRSA-N	1	0	362.817	1.130	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)CN(C)C1CC[NH+](C2CCOCC2)CC1	ZINC000363452645	676955352	/nfs/dbraw/zinc/95/53/52/676955352.db2.gz	KEUHFBHFXWLYQI-MRXNPFEDSA-N	1	0	350.507	1.570	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1C[C@H](C(=O)OC)[C@@H](c2ccc(F)cc2F)C1	ZINC000368833851	677501901	/nfs/dbraw/zinc/50/19/01/677501901.db2.gz	JRMGEAFIJBKHDX-GLQYFDAESA-N	1	0	350.365	1.291	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)C1CCN(c2cc[nH+]cc2C)CC1	ZINC000370356420	677568746	/nfs/dbraw/zinc/56/87/46/677568746.db2.gz	AWDAXKXMAFLLRJ-UHFFFAOYSA-N	1	0	351.472	1.323	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cc3c(s2)CCS(=O)(=O)C3)CC1	ZINC000370513492	677586684	/nfs/dbraw/zinc/58/66/84/677586684.db2.gz	JDUWUOQPLWWHJO-UHFFFAOYSA-N	1	0	354.497	1.599	20	30		FDEDRO
C=C(C)[C@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)OCC	ZINC000370666746	677603226	/nfs/dbraw/zinc/60/32/26/677603226.db2.gz	WNLRBIDFAYYCSE-HMQMGEFJSA-N	1	0	351.491	1.558	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)CC#N)C1	ZINC000422484518	680731850	/nfs/dbraw/zinc/73/18/50/680731850.db2.gz	APUJXMNBXZYQMQ-OAHLLOKOSA-N	1	0	352.479	1.002	20	30		FDEDRO
C=CCN(C(=O)CN(C)S(C)(=O)=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000372601998	677945414	/nfs/dbraw/zinc/94/54/14/677945414.db2.gz	SZIHAUVRIRLYAM-QGZVFWFLSA-N	1	0	365.499	1.167	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(COC)(C(=O)OCC)CC2)CC1	ZINC000373615585	678065114	/nfs/dbraw/zinc/06/51/14/678065114.db2.gz	VGMFWVDSAJAJGN-UHFFFAOYSA-N	1	0	350.459	1.150	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000374460654	678082934	/nfs/dbraw/zinc/08/29/34/678082934.db2.gz	HDZLTZHOGULXOF-HRCADAONSA-N	1	0	372.535	1.144	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1CCCN(c2ccc(F)c(F)c2)CC1	ZINC000375292991	678099518	/nfs/dbraw/zinc/09/95/18/678099518.db2.gz	PNEOZNQNEDJJNR-UHFFFAOYSA-N	1	0	352.385	1.489	20	30		FDEDRO
N#Cc1ccc(Cl)cc1NC(=O)CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000375799009	678177254	/nfs/dbraw/zinc/17/72/54/678177254.db2.gz	XZGMIVSCAYTYEX-IAGOWNOFSA-N	1	0	362.861	1.681	20	30		FDEDRO
C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000376343094	678279553	/nfs/dbraw/zinc/27/95/53/678279553.db2.gz	DVAHNXDKMJRSBS-GXTWGEPZSA-N	1	0	364.427	1.714	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000376648612	678354633	/nfs/dbraw/zinc/35/46/33/678354633.db2.gz	KGGPEWAYIYDVEX-AEFFLSMTSA-N	1	0	364.515	1.824	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1	ZINC000423029788	680773061	/nfs/dbraw/zinc/77/30/61/680773061.db2.gz	VMRJLGGFMHRCOJ-LBPRGKRZSA-N	1	0	355.891	1.984	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]C[C@@]1(N2CCOCC2)CCCOC1	ZINC000378155759	678706210	/nfs/dbraw/zinc/70/62/10/678706210.db2.gz	SKZXDSVTNJLYQG-HKUYNNGSSA-N	1	0	353.507	1.271	20	30		FDEDRO
C[C@@H]1COCC[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1	ZINC000378444543	678747279	/nfs/dbraw/zinc/74/72/79/678747279.db2.gz	NBCIDQAEJHCRHD-JKSUJKDBSA-N	1	0	362.499	1.425	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1cccnc1C#N	ZINC000389883059	678778046	/nfs/dbraw/zinc/77/80/46/678778046.db2.gz	PMRVUNIARGHILJ-RHSMWYFYSA-N	1	0	356.451	1.752	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000409475717	678846644	/nfs/dbraw/zinc/84/66/44/678846644.db2.gz	OXXQLAUQPCWUCT-BZUAXINKSA-N	1	0	360.524	1.192	20	30		FDEDRO
CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)N(C)C[C@@H](C)C#N	ZINC000409593509	678866121	/nfs/dbraw/zinc/86/61/21/678866121.db2.gz	CXRSKXGCWDFBJA-HNNXBMFYSA-N	1	0	352.504	1.953	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N(C)C(C)(C)C[NH+]1CCCCCC1	ZINC000410422800	678895579	/nfs/dbraw/zinc/89/55/79/678895579.db2.gz	PRICBQQURBCDDE-UHFFFAOYSA-N	1	0	374.551	1.680	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NC[C@H](O)COc1ccc(C(F)(F)F)cc1	ZINC000424102987	680829945	/nfs/dbraw/zinc/82/99/45/680829945.db2.gz	CNPVAFDGZMDHNH-GXTWGEPZSA-N	1	0	359.348	1.582	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1	ZINC000424102994	680829951	/nfs/dbraw/zinc/82/99/51/680829951.db2.gz	CNPVAFDGZMDHNH-TZMCWYRMSA-N	1	0	359.348	1.582	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O	ZINC000424164184	680831052	/nfs/dbraw/zinc/83/10/52/680831052.db2.gz	BWUNKOXQXJDFJZ-ZIAGYGMSSA-N	1	0	352.797	1.722	20	30		FDEDRO
N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1	ZINC000424206418	680831865	/nfs/dbraw/zinc/83/18/65/680831865.db2.gz	WGNFWRLIWOBQSN-GXSJLCMTSA-N	1	0	358.261	1.878	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1	ZINC000413447275	679268892	/nfs/dbraw/zinc/26/88/92/679268892.db2.gz	YBJCKRRPZNSDCG-KRWDZBQOSA-N	1	0	352.523	1.827	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1	ZINC000413871958	679305781	/nfs/dbraw/zinc/30/57/81/679305781.db2.gz	DQGPEQFHWTVHOU-SFHVURJKSA-N	1	0	353.507	1.128	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1	ZINC000414892584	679372799	/nfs/dbraw/zinc/37/27/99/679372799.db2.gz	JITGWQUUCYJGGO-KBPBESRZSA-N	1	0	366.487	1.694	20	30		FDEDRO
C=CCOc1c(Br)cc(CN(C)C[C@@H](O)C[NH3+])cc1OC	ZINC000415048521	679378565	/nfs/dbraw/zinc/37/85/65/679378565.db2.gz	CGAMQXZLBMFCMS-LBPRGKRZSA-N	1	0	359.264	1.774	20	30		FDEDRO
C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000415484118	679438202	/nfs/dbraw/zinc/43/82/02/679438202.db2.gz	BVQZLBFCOQDOAS-LBPRGKRZSA-N	1	0	365.231	1.470	20	30		FDEDRO
C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000415527507	679445211	/nfs/dbraw/zinc/44/52/11/679445211.db2.gz	RFWZDSRULIUDKI-ZJUUUORDSA-N	1	0	354.332	1.711	20	30		FDEDRO
COCC[NH2+]CCNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N	ZINC000415543786	679448601	/nfs/dbraw/zinc/44/86/01/679448601.db2.gz	YIUHBLNELYYYJF-UHFFFAOYSA-N	1	0	352.460	1.208	20	30		FDEDRO
C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1	ZINC000415557094	679450909	/nfs/dbraw/zinc/45/09/09/679450909.db2.gz	CVQPEZYGIAHJQD-KOLCDFICSA-N	1	0	365.231	1.455	20	30		FDEDRO
N#CCc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(Cl)c1	ZINC000415578904	679457340	/nfs/dbraw/zinc/45/73/40/679457340.db2.gz	JGJNCBJWZFXYNH-GZBFAFLISA-N	1	0	360.845	1.930	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1	ZINC000415594921	679460852	/nfs/dbraw/zinc/46/08/52/679460852.db2.gz	HARVVEOHTWEEIZ-DYEKYZERSA-N	1	0	350.444	1.764	20	30		FDEDRO
C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000415609957	679464624	/nfs/dbraw/zinc/46/46/24/679464624.db2.gz	HRZVZLBYNJPACA-ZANVPECISA-N	1	0	365.231	1.373	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)c1	ZINC000415624743	679467611	/nfs/dbraw/zinc/46/76/11/679467611.db2.gz	MVIVKOXQCPNZFX-LLVKDONJSA-N	1	0	352.341	1.356	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[NH2+]CCC1(F)F	ZINC000418751206	680117263	/nfs/dbraw/zinc/11/72/63/680117263.db2.gz	QIHRDGHBGHRCDZ-HNNXBMFYSA-N	1	0	352.385	1.713	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCCSCc2ccccc2C#N)C1	ZINC000418921120	680153415	/nfs/dbraw/zinc/15/34/15/680153415.db2.gz	LTKAKGFGXDLNJR-ZFWWWQNUSA-N	1	0	360.483	1.103	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1	ZINC000419670489	680313761	/nfs/dbraw/zinc/31/37/61/680313761.db2.gz	CWSGFQGUCSDNHA-LRDDRELGSA-N	1	0	351.397	1.814	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N1CCC[C@H]1C[NH2+]C)c1ccc(F)c(F)c1	ZINC000419679089	680318275	/nfs/dbraw/zinc/31/82/75/680318275.db2.gz	PFBLLSZQCOXFGF-BBRMVZONSA-N	1	0	351.397	1.909	20	30		FDEDRO
C[C@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1cccc(Br)c1C#N	ZINC000420431771	680447672	/nfs/dbraw/zinc/44/76/72/680447672.db2.gz	XNCKMDISXCTEKC-VHSXEESVSA-N	1	0	358.261	1.679	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H]1CC[C@H](C[NH3+])C1	ZINC000420447892	680455729	/nfs/dbraw/zinc/45/57/29/680455729.db2.gz	DAUAXJOPGHCVIO-VHSXEESVSA-N	1	0	358.261	1.726	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1Br	ZINC000420448698	680456478	/nfs/dbraw/zinc/45/64/78/680456478.db2.gz	JOZSRNREMWFSMX-ZWNOBZJWSA-N	1	0	358.261	1.726	20	30		FDEDRO
C[C@@H]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)C[C@H]1C[NH3+]	ZINC000420473091	680466898	/nfs/dbraw/zinc/46/68/98/680466898.db2.gz	CTVGUGPRRZHKGE-GHMZBOCLSA-N	1	0	372.288	1.926	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCC(=O)N(C)C1=O)C(C)C	ZINC000425613370	680912857	/nfs/dbraw/zinc/91/28/57/680912857.db2.gz	WFAHHGHGSOMNQQ-HUUCEWRRSA-N	1	0	350.463	1.132	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC(C)(C)c2nocc2C(=O)OC)CC1	ZINC000425676390	680916892	/nfs/dbraw/zinc/91/68/92/680916892.db2.gz	DOVVENWPRSNVLE-UHFFFAOYSA-N	1	0	350.419	1.646	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)Nc3ccc(CC#N)cc3Cl)[C@@H]2C1	ZINC000425819627	680933675	/nfs/dbraw/zinc/93/36/75/680933675.db2.gz	LGXRLOOVCFSYQH-XJKSGUPXSA-N	1	0	360.845	1.897	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1	ZINC000425889062	680939418	/nfs/dbraw/zinc/93/94/18/680939418.db2.gz	UIKKPKZCUBPBPA-PMPSAXMXSA-N	1	0	351.491	1.320	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1	ZINC000426133528	680948412	/nfs/dbraw/zinc/94/84/12/680948412.db2.gz	LBZZTKAYPFLJHF-TYNCELHUSA-N	1	0	362.396	1.430	20	30		FDEDRO
C[C@@H]([NH2+][C@H](CO)c1ccc(Br)cc1)C(=O)N(C)CCC#N	ZINC000428798700	681014743	/nfs/dbraw/zinc/01/47/43/681014743.db2.gz	BTTXLIMOLPRIMC-BXUZGUMPSA-N	1	0	354.248	1.833	20	30		FDEDRO
CC[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@H](C)CO	ZINC000428881058	681016777	/nfs/dbraw/zinc/01/67/77/681016777.db2.gz	LSDRYDFRJQHRRQ-CABCVRRESA-N	1	0	350.488	1.160	20	30		FDEDRO
C=C(C)CS(=O)(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000435428262	681592771	/nfs/dbraw/zinc/59/27/71/681592771.db2.gz	QHAXQGIZQUDSCN-UHFFFAOYSA-N	1	0	351.516	1.690	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNS(=O)(=O)Cc2cc(C#N)ccc2F)CC1	ZINC000440070686	681966250	/nfs/dbraw/zinc/96/62/50/681966250.db2.gz	AOYDAGVXFVWDIB-CQSZACIVSA-N	1	0	368.478	1.143	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)cc1	ZINC000441328653	682068718	/nfs/dbraw/zinc/06/87/18/682068718.db2.gz	BMAFSIKNSLPURK-UHFFFAOYSA-N	1	0	351.378	1.905	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@H]1CS(N)(=O)=O)C(C)C	ZINC000443542702	682320377	/nfs/dbraw/zinc/32/03/77/682320377.db2.gz	NTZMWBOTURWCJF-HOTGVXAUSA-N	1	0	372.535	1.148	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1CCN(CC(C)(C)O)[C@H](C)C1	ZINC000444280318	682395472	/nfs/dbraw/zinc/39/54/72/682395472.db2.gz	HENONRLQIHJDSS-CYBMUJFWSA-N	1	0	367.471	1.033	20	30		FDEDRO
Cn1cc([C@@H](NC(=O)N(CCC#N)CCC[NH+](C)C)C(F)(F)F)cn1	ZINC000446523602	682498757	/nfs/dbraw/zinc/49/87/57/682498757.db2.gz	RGHXILCMNGOWFP-CYBMUJFWSA-N	1	0	360.384	1.900	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2c[nH]nc2-c2nccs2)CC1	ZINC000446669873	682509170	/nfs/dbraw/zinc/50/91/70/682509170.db2.gz	HELFIWITZKHOSX-UHFFFAOYSA-N	1	0	360.443	1.238	20	30		FDEDRO
C[NH+](C)CCn1ccc(NC(=O)c2cccc(C#N)c2Br)n1	ZINC000448830648	682639347	/nfs/dbraw/zinc/63/93/47/682639347.db2.gz	KGGDSWNEFKAWBL-UHFFFAOYSA-N	1	0	362.231	2.331	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(S(=O)(=O)CC(C)(C)CC#N)CC2)CC1	ZINC000451331799	682862657	/nfs/dbraw/zinc/86/26/57/682862657.db2.gz	FTUPHQCMRHRFLJ-UHFFFAOYSA-N	1	0	370.563	1.746	20	30		FDEDRO
C[N@@H+](Cc1cccnc1)C[C@H]1CCN(S(=O)(=O)CC2(CC#N)CC2)C1	ZINC000451469484	682886056	/nfs/dbraw/zinc/88/60/56/682886056.db2.gz	DPKKHMDZLOMPGN-QGZVFWFLSA-N	1	0	362.499	1.859	20	30		FDEDRO
CCCN(CCN1CC[NH+](CC)CC1)S(=O)(=O)CC(C)(C)CC#N	ZINC000451558846	682899595	/nfs/dbraw/zinc/89/95/95/682899595.db2.gz	RJFMKZZUQAVJIO-UHFFFAOYSA-N	1	0	358.552	1.606	20	30		FDEDRO
CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000452053423	683012296	/nfs/dbraw/zinc/01/22/96/683012296.db2.gz	DAKPHBOEWZOJDR-UHFFFAOYSA-N	1	0	350.488	1.253	20	30		FDEDRO
C=CCC[C@H](CO)[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000453363177	683160591	/nfs/dbraw/zinc/16/05/91/683160591.db2.gz	QMIUXSITQQWDAO-NVXWUHKLSA-N	1	0	368.499	1.685	20	30		FDEDRO
N#Cc1ncc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1Cl	ZINC000453639617	683173580	/nfs/dbraw/zinc/17/35/80/683173580.db2.gz	KHBSSPZPULVWFV-ZDUSSCGKSA-N	1	0	361.833	1.632	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(CC#N)cc3Cl)[C@@H]2C1	ZINC000453705288	683191337	/nfs/dbraw/zinc/19/13/37/683191337.db2.gz	UTFPRSWQPYLNKV-XJKSGUPXSA-N	1	0	360.845	1.897	20	30		FDEDRO
C=CC[C@@H](C)NC(=O)N1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1	ZINC000454534453	683330978	/nfs/dbraw/zinc/33/09/78/683330978.db2.gz	UNSCUSAYEHPBJN-AEFFLSMTSA-N	1	0	350.507	1.927	20	30		FDEDRO
N#Cc1c(NC(=O)CC[N@@H+]2C[C@@H](O)[C@H](CO)C2)sc2c1CCCCC2	ZINC000459717335	684449941	/nfs/dbraw/zinc/44/99/41/684449941.db2.gz	WWEPXCFYMMZXSM-SWLSCSKDSA-N	1	0	363.483	1.502	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H](C[N@@H+](C)CC)C2)c1	ZINC000462677218	684657100	/nfs/dbraw/zinc/65/71/00/684657100.db2.gz	LNZVEGFKELISCH-OAHLLOKOSA-N	1	0	365.499	1.565	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)C1	ZINC000465488849	684784702	/nfs/dbraw/zinc/78/47/02/684784702.db2.gz	FIGZPABMKOZFLS-INIZCTEOSA-N	1	0	369.462	1.819	20	30		FDEDRO
C=CCC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1	ZINC000467302159	684853657	/nfs/dbraw/zinc/85/36/57/684853657.db2.gz	WOCWCOUBWLVXHY-UHFFFAOYSA-N	1	0	369.462	1.167	20	30		FDEDRO
C[NH+](C)CCCN(C(=O)c1ccc(C#N)s1)[C@H]1CCS(=O)(=O)C1	ZINC000467644165	684870577	/nfs/dbraw/zinc/87/05/77/684870577.db2.gz	SQOJOSULAWYUHM-LBPRGKRZSA-N	1	0	355.485	1.201	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCC[N@@H+](CC)CCC)c1	ZINC000472222482	685191038	/nfs/dbraw/zinc/19/10/38/685191038.db2.gz	IIQWSCDCGBVVMX-UHFFFAOYSA-N	1	0	353.488	1.613	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNS(=O)(=O)CC2(C#N)CCCCC2)CC1	ZINC000476395588	685717844	/nfs/dbraw/zinc/71/78/44/685717844.db2.gz	FWAFXTFFMBVMAN-UHFFFAOYSA-N	1	0	357.520	1.615	20	30		FDEDRO
N#Cc1ccc([C@H]([NH2+]CCCn2cc(Br)cn2)C(N)=O)cc1	ZINC000487987698	687018667	/nfs/dbraw/zinc/01/86/67/687018667.db2.gz	XAZUIHOPZRFHSY-AWEZNQCLSA-N	1	0	362.231	1.724	20	30		FDEDRO
C=C[C@@H]1CCCC[N@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000489470360	687099850	/nfs/dbraw/zinc/09/98/50/687099850.db2.gz	CYXCWWJYXMIYHA-OAHLLOKOSA-N	1	0	351.472	1.033	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1	ZINC000496359123	687649054	/nfs/dbraw/zinc/64/90/54/687649054.db2.gz	KIDWPWVWTJVSIS-KRWDZBQOSA-N	1	0	351.491	1.609	20	30		FDEDRO
C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000498143078	687752474	/nfs/dbraw/zinc/75/24/74/687752474.db2.gz	VQXAMQUBVGZTAQ-HNNXBMFYSA-N	1	0	366.487	1.047	20	30		FDEDRO
C=CCN(CC(F)(F)F)C(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1	ZINC000498226754	687768648	/nfs/dbraw/zinc/76/86/48/687768648.db2.gz	NUVYAABRAJITMX-UONOGXRCSA-N	1	0	361.408	1.896	20	30		FDEDRO
CC1(C#N)CC[NH+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1	ZINC000506033361	688547146	/nfs/dbraw/zinc/54/71/46/688547146.db2.gz	XIGUXTFBQIERIT-UHFFFAOYSA-N	1	0	350.444	1.288	20	30		FDEDRO
CC[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C[C@H](C)O	ZINC000510127942	689349038	/nfs/dbraw/zinc/34/90/38/689349038.db2.gz	PQVUIFCEYRYXQV-GJZGRUSLSA-N	1	0	350.488	1.160	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1	ZINC000510953683	689442230	/nfs/dbraw/zinc/44/22/30/689442230.db2.gz	RJEMIKXPOYVDEY-QWHCGFSZSA-N	1	0	362.396	1.528	20	30		FDEDRO
COc1cc(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)ccc1C#N	ZINC000512854307	689643884	/nfs/dbraw/zinc/64/38/84/689643884.db2.gz	ADBGYHFHLWZNMD-JKSUJKDBSA-N	1	0	351.472	1.764	20	30		FDEDRO
CO[C@H](CC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C(F)(F)F	ZINC000514933381	689788109	/nfs/dbraw/zinc/78/81/09/689788109.db2.gz	VPSKMCDNFRQLFD-CYBMUJFWSA-N	1	0	350.362	1.889	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCCN(c2ccccc2Cl)C1=O	ZINC000519535257	690217377	/nfs/dbraw/zinc/21/73/77/690217377.db2.gz	HBVRZJVAJBGJFB-HOCLYGCPSA-N	1	0	364.877	1.631	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]CCc1cc(Cl)c2c(c1)OCCO2	ZINC000520759546	690353913	/nfs/dbraw/zinc/35/39/13/690353913.db2.gz	GVLGXBOEZWXFOU-CQSZACIVSA-N	1	0	353.850	1.450	20	30		FDEDRO
CC[NH+]1CCC(N(C)C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1	ZINC000521540526	694405798	/nfs/dbraw/zinc/40/57/98/694405798.db2.gz	JJNAOGOPDOSIQC-UHFFFAOYSA-N	1	0	363.483	1.416	20	30		FDEDRO
CC(C)C(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1	ZINC000522416053	694482657	/nfs/dbraw/zinc/48/26/57/694482657.db2.gz	UZIKOBMALAUWEG-GJYPPUQNSA-N	1	0	350.507	1.914	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000525885868	694638308	/nfs/dbraw/zinc/63/83/08/694638308.db2.gz	XAICCNNZNPBIQV-ZDUSSCGKSA-N	1	0	364.471	1.150	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1	ZINC000527902785	694693274	/nfs/dbraw/zinc/69/32/74/694693274.db2.gz	SNFYRRFYJLFSNZ-DLBZAZTESA-N	1	0	351.491	1.864	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC[NH2+]C23CCC3)cc1	ZINC000528689973	694743536	/nfs/dbraw/zinc/74/35/36/694743536.db2.gz	QKUIUBQMLUGWSY-WFASDCNBSA-N	1	0	362.455	1.778	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(C(=O)N(CC)CC)CC2)CC1	ZINC000531084750	694819470	/nfs/dbraw/zinc/81/94/70/694819470.db2.gz	XYGYNDYJMUQEHM-UHFFFAOYSA-N	1	0	351.495	1.426	20	30		FDEDRO
C=CC[C@@]1(C(=O)Nc2cccc(S(=O)(=O)NCCOC)c2)CCC[NH2+]1	ZINC000638796665	695401020	/nfs/dbraw/zinc/40/10/20/695401020.db2.gz	HGRKZMFZBGHMFC-KRWDZBQOSA-N	1	0	367.471	1.248	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NCC#CCO)CC1	ZINC000639463650	695461173	/nfs/dbraw/zinc/46/11/73/695461173.db2.gz	PCMYHTQOQMYBLU-UHFFFAOYSA-N	1	0	350.850	1.599	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000641831985	696227586	/nfs/dbraw/zinc/22/75/86/696227586.db2.gz	KLOYDQZDVATXNY-QGZVFWFLSA-N	1	0	352.523	1.685	20	30		FDEDRO
N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCN2CC[NH2+]C[C@@H]2C1	ZINC001164390668	718829291	/nfs/dbraw/zinc/82/92/91/718829291.db2.gz	GBUUSZYKBHSVAJ-SECBINFHSA-N	1	0	362.211	1.899	20	30		FDEDRO
CSc1nc(-c2ccccc2)nc(N2CCN3CC[NH2+]C[C@H]3C2)c1C#N	ZINC001164398511	718836122	/nfs/dbraw/zinc/83/61/22/718836122.db2.gz	GJVGVTWUOWPQSU-HNNXBMFYSA-N	1	0	366.494	1.831	20	30		FDEDRO
N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1C[C@H]2C[NH2+]C[C@]2(CO)C1	ZINC001164403755	718850244	/nfs/dbraw/zinc/85/02/44/718850244.db2.gz	IJVKVWPVVMLOND-AMIZOPFISA-N	1	0	363.195	1.823	20	30		FDEDRO
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(C#N)cc(Cl)n1	ZINC001164614484	719014755	/nfs/dbraw/zinc/01/47/55/719014755.db2.gz	FOSLUXZCHVVVTD-SDDRHHMPSA-N	1	0	370.787	1.881	20	30		FDEDRO
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(C#N)cc(Cl)n1	ZINC001164614488	719015057	/nfs/dbraw/zinc/01/50/57/719015057.db2.gz	FOSLUXZCHVVVTD-SRVKXCTJSA-N	1	0	370.787	1.881	20	30		FDEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(c1ncc3c(C#N)c[nH]c3n1)CC2	ZINC001164683481	719735422	/nfs/dbraw/zinc/73/54/22/719735422.db2.gz	ADSOHZNZNNCMBT-UHFFFAOYSA-N	1	0	353.430	1.010	20	30		FDEDRO
Cc1cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(C#N)n1	ZINC001164828906	720322865	/nfs/dbraw/zinc/32/28/65/720322865.db2.gz	KJFKOQZRGDYEFO-IRXDYDNUSA-N	1	0	368.485	1.568	20	30		FDEDRO
Cc1ccc(CC#N)c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1	ZINC001164740960	720772399	/nfs/dbraw/zinc/77/23/99/720772399.db2.gz	LSYQRBLLLKWBFZ-IRXDYDNUSA-N	1	0	350.426	1.588	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4[nH]cc(C#N)c43)CC[C@H]2C1	ZINC001164847909	720832193	/nfs/dbraw/zinc/83/21/93/720832193.db2.gz	KVFFBFIRRHSIOB-ZFWWWQNUSA-N	1	0	356.430	1.003	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4ccc(C#N)cc43)CC[C@@H]2C1	ZINC001164852578	720841408	/nfs/dbraw/zinc/84/14/08/720841408.db2.gz	LALJPGXZEJDOCG-APWZRJJASA-N	1	0	367.453	1.675	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3ccc4c(C#N)c[nH]c4n3)CC[C@H]2C1	ZINC001164851532	720860231	/nfs/dbraw/zinc/86/02/31/720860231.db2.gz	ANDFXOUJAGNOJT-WMLDXEAASA-N	1	0	355.442	1.608	20	30		FDEDRO
N#Cc1ncc(Cl)nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164867780	721063749	/nfs/dbraw/zinc/06/37/49/721063749.db2.gz	KJZICAAVOMEHTQ-HUUCEWRRSA-N	1	0	370.844	1.876	20	30		FDEDRO
Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)ncc4C#N)C[C@H]3C2)cn1	ZINC001164772525	721095116	/nfs/dbraw/zinc/09/51/16/721095116.db2.gz	UYMFCACKMBVJNP-DZGCQCFKSA-N	1	0	357.849	1.693	20	30		FDEDRO
Cc1nc(C#N)cnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164871575	721127890	/nfs/dbraw/zinc/12/78/90/721127890.db2.gz	FOPFIZLXGBVWEZ-ROUUACIJSA-N	1	0	350.426	1.531	20	30		FDEDRO
CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nccnc4C#N)C3)O2)CC1	ZINC001164890935	721383544	/nfs/dbraw/zinc/38/35/44/721383544.db2.gz	PJZWNMUUEILBEH-VQIMIIECSA-N	1	0	356.474	1.114	20	30		FDEDRO
Cc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(C#N)n1	ZINC001164976342	722124491	/nfs/dbraw/zinc/12/44/91/722124491.db2.gz	LJHANEVTOLMKAA-MSOLQXFVSA-N	1	0	364.453	1.779	20	30		FDEDRO
Cc1cnc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c(C#N)c1	ZINC001165000359	722250958	/nfs/dbraw/zinc/25/09/58/722250958.db2.gz	OUJPXXBSYNLITI-UHFFFAOYSA-N	1	0	354.458	1.947	20	30		FDEDRO
C=CCCn1cc(C[NH2+][C@@H](C)CN2CCN(c3ccccn3)CC2)nn1	ZINC000657365482	782295175	/nfs/dbraw/zinc/29/51/75/782295175.db2.gz	BJEUXXBSKLITSF-KRWDZBQOSA-N	1	0	355.490	1.550	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1	ZINC000684789657	782295359	/nfs/dbraw/zinc/29/53/59/782295359.db2.gz	VOSONPKFKDPAKM-XJKSGUPXSA-N	1	0	355.398	1.303	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2ccnc3n[nH]nc32)C[C@H]1C	ZINC001104407851	782393986	/nfs/dbraw/zinc/39/39/86/782393986.db2.gz	MSTHHTWXTYSLFP-ZIAGYGMSSA-N	1	0	358.446	1.243	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@@H]3C2)s1	ZINC000978559045	805594768	/nfs/dbraw/zinc/59/47/68/805594768.db2.gz	PHJOQORBEAYSPA-AGWIIJTJSA-N	1	0	369.490	1.837	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)COCC2CC2)C[C@H]1c1ccccc1	ZINC001211541839	782507383	/nfs/dbraw/zinc/50/73/83/782507383.db2.gz	KVWBJLRJGXJWBQ-RBUKOAKNSA-N	1	0	371.481	1.299	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)c(F)c1	ZINC001022727195	782690270	/nfs/dbraw/zinc/69/02/70/782690270.db2.gz	OATVVTPBHMHEIS-CLWVCHIJSA-N	1	0	358.417	1.336	20	30		FDEDRO
C=C1CCC(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+][C@H]2CCC(=O)NC2=O)CC1	ZINC001087208761	782691867	/nfs/dbraw/zinc/69/18/67/782691867.db2.gz	VNXMTYKLJSIBRA-PVAVHDDUSA-N	1	0	361.486	1.755	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(COC)CC1)C2	ZINC001112468421	769017979	/nfs/dbraw/zinc/01/79/79/769017979.db2.gz	JKGOLZJWLOXWFZ-GUXCAODWSA-N	1	0	363.502	1.322	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c(F)c1	ZINC001020406829	769185297	/nfs/dbraw/zinc/18/52/97/769185297.db2.gz	AUVVEPQAYBNBDN-FKLUBVLPSA-N	1	0	355.413	1.858	20	30		FDEDRO
CCc1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC#CCOC)C2)cc(=O)[nH]1	ZINC001112472820	769438529	/nfs/dbraw/zinc/43/85/29/769438529.db2.gz	IYHDBPPXKYMUQL-UWJYYQICSA-N	1	0	371.481	1.831	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)N2C[C@@H]3CCC[C@]3(c3nc(C)no3)C2)C1	ZINC000924037044	769502017	/nfs/dbraw/zinc/50/20/17/769502017.db2.gz	KRJJALIYLGDDNH-BXWFABGCSA-N	1	0	357.458	1.539	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1	ZINC000728189524	769853636	/nfs/dbraw/zinc/85/36/36/769853636.db2.gz	NUOPTHHOKCCCMY-GUDVDZBRSA-N	1	0	354.454	1.506	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(F)c[nH]1)C2	ZINC001112475548	769910334	/nfs/dbraw/zinc/91/03/34/769910334.db2.gz	KZVWIJIQMJZYAI-TYILLQQXSA-N	1	0	360.433	1.124	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc(C3CC3)n2C2CC2)C1	ZINC001022736801	782797416	/nfs/dbraw/zinc/79/74/16/782797416.db2.gz	CRJZXTRIHISKPV-WTTBNOFXSA-N	1	0	371.485	1.818	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc3ccccc3n2C)C1	ZINC001022736100	782802239	/nfs/dbraw/zinc/80/22/39/782802239.db2.gz	MYCWWFDBOPWDII-FSZRXZPDSA-N	1	0	354.454	1.901	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1ccnc1	ZINC000969464506	770266939	/nfs/dbraw/zinc/26/69/39/770266939.db2.gz	QNKNRILUGSVXFV-TWMKSMIVSA-N	1	0	358.442	1.066	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1	ZINC000655246555	770393065	/nfs/dbraw/zinc/39/30/65/770393065.db2.gz	IFGWLZWTPFONPX-OTVXOJSOSA-N	1	0	351.472	1.221	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3nnnn3c2)C[C@H]1C	ZINC001104414472	782843157	/nfs/dbraw/zinc/84/31/57/782843157.db2.gz	YFCPFDYDQJRJPZ-HUUCEWRRSA-N	1	0	358.446	1.015	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCCc2nc(C)no2)C1	ZINC000969693728	770673983	/nfs/dbraw/zinc/67/39/83/770673983.db2.gz	VYYURMYIYNZBEM-XYPHTWIQSA-N	1	0	362.474	1.728	20	30		FDEDRO
COc1ccc(C#N)cc1CN1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000969705202	770694394	/nfs/dbraw/zinc/69/43/94/770694394.db2.gz	UNKNKQZVYOWVRW-QMTMVMCOSA-N	1	0	370.497	1.844	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(CC)ccn2)C[C@H]1C	ZINC001104228826	770729207	/nfs/dbraw/zinc/72/92/07/770729207.db2.gz	RVZBGENIHOUNCT-NVXWUHKLSA-N	1	0	358.486	1.634	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1c1ccccc1	ZINC001211546121	782876874	/nfs/dbraw/zinc/87/68/74/782876874.db2.gz	WDJOKISNBZNYTR-ZWKOTPCHSA-N	1	0	354.454	1.821	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)ccc1F	ZINC001020596257	770928029	/nfs/dbraw/zinc/92/80/29/770928029.db2.gz	IPPOTVBAPFTSAS-OCVGTWLNSA-N	1	0	358.417	1.336	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@H]2C)CC1	ZINC001020620932	771012870	/nfs/dbraw/zinc/01/28/70/771012870.db2.gz	ZYGYWESHBYTECS-DZRGKWQISA-N	1	0	373.497	1.005	20	30		FDEDRO
C[C@@H](NC(=O)[C@H]1CN(C)C[C@@H](C)O1)C1CN(CC#Cc2ccccc2)C1	ZINC000969956788	771124951	/nfs/dbraw/zinc/12/49/51/771124951.db2.gz	ABWMEAISNZTOAU-MBOZVWFJSA-N	1	0	355.482	1.194	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC000969970484	771138002	/nfs/dbraw/zinc/13/80/02/771138002.db2.gz	OZEZFOPVSCQDAE-OAGGEKHMSA-N	1	0	358.417	1.112	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)ccc1F	ZINC000969972254	771148685	/nfs/dbraw/zinc/14/86/85/771148685.db2.gz	CLIMOAKSFARTRC-IJEWVQPXSA-N	1	0	358.417	1.289	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NCc2nc(CCC(C)C)no2)C1	ZINC000970017305	771205452	/nfs/dbraw/zinc/20/54/52/771205452.db2.gz	SGJBODMHVKOURT-OAGGEKHMSA-N	1	0	362.474	1.940	20	30		FDEDRO
CC#CCN1C[C@H]2OCCN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@H]2C1	ZINC001083194032	771235958	/nfs/dbraw/zinc/23/59/58/771235958.db2.gz	SBMVCNWPRPVUGN-VQTJNVASSA-N	1	0	355.482	1.339	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1	ZINC000970074669	771300406	/nfs/dbraw/zinc/30/04/06/771300406.db2.gz	IVOGQOCFYBUPRH-CABCVRRESA-N	1	0	371.909	1.185	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)C1	ZINC001020726152	771302995	/nfs/dbraw/zinc/30/29/95/771302995.db2.gz	BRQCXBQAZTVDDG-MTSZKFMLSA-N	1	0	370.515	1.029	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccnc(N(C)C)c2)C1	ZINC001020726706	771309035	/nfs/dbraw/zinc/30/90/35/771309035.db2.gz	SNKJPFQCZZRLOS-DWRORGKVSA-N	1	0	358.486	1.866	20	30		FDEDRO
C#CCCCN1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2	ZINC001209266789	771331695	/nfs/dbraw/zinc/33/16/95/771331695.db2.gz	CSFWOLKKZVQCJS-AABGKKOBSA-N	1	0	374.506	1.500	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1	ZINC000970145996	771524794	/nfs/dbraw/zinc/52/47/94/771524794.db2.gz	ZWKLWJFQXTWOJH-VCBZYWHSSA-N	1	0	363.458	1.245	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNS(C)(=O)=O)C1	ZINC001104239495	771598402	/nfs/dbraw/zinc/59/84/02/771598402.db2.gz	ANOOIKSHUQQCRE-HUUCEWRRSA-N	1	0	359.536	1.212	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+][C@@H]2CCN(C(C)C)C2=O)CC1	ZINC001167277182	771855524	/nfs/dbraw/zinc/85/55/24/771855524.db2.gz	DAGXNYNFHRGCHM-ZACQAIPSSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]CCOC[C@H]2CCCO2)CC1	ZINC001167277331	771855953	/nfs/dbraw/zinc/85/59/53/771855953.db2.gz	GZCXHYVGFHHLAT-KURKYZTESA-N	1	0	366.502	1.649	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+][C@@H](CCCC)C(N)=O)CC1	ZINC001167277827	771857231	/nfs/dbraw/zinc/85/72/31/771857231.db2.gz	UZCFOYSIYVKTHO-PMPSAXMXSA-N	1	0	351.491	1.498	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccn(CC(C)C)n2)C[C@H]1C	ZINC001104250095	772002264	/nfs/dbraw/zinc/00/22/64/772002264.db2.gz	SRRASSCJXFQSQZ-QZTJIDSGSA-N	1	0	360.502	1.877	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2)CC1	ZINC000277667638	782973943	/nfs/dbraw/zinc/97/39/43/782973943.db2.gz	DNTICCFNNXYZQU-KRWDZBQOSA-N	1	0	360.506	1.647	20	30		FDEDRO
C[C@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C1C[NH+](Cc2ccc(C#N)cc2)C1	ZINC000970204472	772078169	/nfs/dbraw/zinc/07/81/69/772078169.db2.gz	LADUCKNTLGWIFD-DILOTOHQSA-N	1	0	369.465	1.546	20	30		FDEDRO
C[NH+](C)CCn1ncc(C(=O)N2CCO[C@H](C#N)C2)c1-c1ccccc1	ZINC000277681275	782990311	/nfs/dbraw/zinc/99/03/11/782990311.db2.gz	MZDKUIMWVMQJCT-MRXNPFEDSA-N	1	0	353.426	1.476	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)CCNC(=O)c2ccncc2)C[C@H]1C	ZINC001104259236	772511664	/nfs/dbraw/zinc/51/16/64/772511664.db2.gz	DMFFBGBAVPKDBR-SJLPKXTDSA-N	1	0	358.486	1.852	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cccc(OCC(N)=O)c2)C[C@H]1C	ZINC001104262968	772554600	/nfs/dbraw/zinc/55/46/00/772554600.db2.gz	WIXGVUQRRATMQL-NVXWUHKLSA-N	1	0	357.454	1.262	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1	ZINC001021235217	772582458	/nfs/dbraw/zinc/58/24/58/772582458.db2.gz	CACOXEHCOPOETO-SLFFLAALSA-N	1	0	365.477	1.364	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2(COC)CCCC2)C[C@H]1C	ZINC001104268199	772643880	/nfs/dbraw/zinc/64/38/80/772643880.db2.gz	ZJGHESORGDBHSR-IAGOWNOFSA-N	1	0	365.518	1.570	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3n[nH]nc3n2)C[C@H]1C	ZINC001104269195	772660960	/nfs/dbraw/zinc/66/09/60/772660960.db2.gz	GSMXRKBRUAHDCP-ZIAGYGMSSA-N	1	0	358.446	1.243	20	30		FDEDRO
COC(=O)[C@@H]1CN(C(=O)N[C@H](CCC#N)c2ccccc2)CC[N@H+](C)C1	ZINC000413391844	772701881	/nfs/dbraw/zinc/70/18/81/772701881.db2.gz	BRJCUPARWIPTMB-DLBZAZTESA-N	1	0	358.442	1.778	20	30		FDEDRO
C[NH+](C)C1(C(=O)N2C[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)CCC1	ZINC001021326011	772921600	/nfs/dbraw/zinc/92/16/00/772921600.db2.gz	PESPKKURRQJQLN-GOEBONIOSA-N	1	0	355.442	1.044	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cnnn1CC	ZINC001087215763	783055543	/nfs/dbraw/zinc/05/55/43/783055543.db2.gz	QAHDYEZAFXOQLB-ATLSCFEFSA-N	1	0	361.490	1.606	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCCN2CCCC2=O)C1	ZINC000970561595	772955669	/nfs/dbraw/zinc/95/56/69/772955669.db2.gz	ZKEVZFQEEFMHNR-IEZWGBDMSA-N	1	0	363.502	1.417	20	30		FDEDRO
CC#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC000970559043	772957510	/nfs/dbraw/zinc/95/75/10/772957510.db2.gz	VAEGCMGKKUITEQ-UCLAIMLFSA-N	1	0	354.454	1.061	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@@H]3CCCC[C@H]13)C2	ZINC001112486419	772971883	/nfs/dbraw/zinc/97/18/83/772971883.db2.gz	RHJXISWMTIJPAG-JWPKLBNJSA-N	1	0	371.525	1.780	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)n(C)n1	ZINC001021385024	773121622	/nfs/dbraw/zinc/12/16/22/773121622.db2.gz	KETYPLZIRMLBKX-ROUSISIUSA-N	1	0	358.486	1.931	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1	ZINC001021426373	773307436	/nfs/dbraw/zinc/30/74/36/773307436.db2.gz	QUAAZMSYIOACTF-BMGDILEWSA-N	1	0	369.469	1.434	20	30		FDEDRO
N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Cc1cccc(I)c1	ZINC000834480100	773722774	/nfs/dbraw/zinc/72/27/74/773722774.db2.gz	KYVWQBMZHYFZMZ-ZYHUDNBSSA-N	1	0	355.179	1.061	20	30		FDEDRO
C=CCn1c(SC[C@@H](O)C[N@@H+](C)CCOC)nc2sccc2c1=O	ZINC000656151191	773916477	/nfs/dbraw/zinc/91/64/77/773916477.db2.gz	IMMSJHXSZBARLC-LBPRGKRZSA-N	1	0	369.512	1.675	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)COCCC)C[C@H]1c1ccccc1	ZINC001211551295	783139985	/nfs/dbraw/zinc/13/99/85/783139985.db2.gz	HMNGCKRWRYEHET-ZWKOTPCHSA-N	1	0	359.470	1.299	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cccc(CC)n2)C[C@H]1C	ZINC001104297411	774033403	/nfs/dbraw/zinc/03/34/03/774033403.db2.gz	PSYAZGWRTHSYPY-HZPDHXFCSA-N	1	0	358.486	1.634	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1	ZINC000668419742	774270647	/nfs/dbraw/zinc/27/06/47/774270647.db2.gz	KXBJKRMLHAOPNQ-ROUUACIJSA-N	1	0	350.507	1.086	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C3CC3)CCC1)C2	ZINC001112496305	774330595	/nfs/dbraw/zinc/33/05/95/774330595.db2.gz	PZZKVHIOACNIMM-PXNSSMCTSA-N	1	0	357.498	1.534	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC1(C[NH2+][C@H](C)C(=O)N(C)C)CC1	ZINC001167422231	774561516	/nfs/dbraw/zinc/56/15/16/774561516.db2.gz	LNKBBXZYTYVQKY-IKGGRYGDSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)C2=COCCC2)C1=O	ZINC001087133829	774564054	/nfs/dbraw/zinc/56/40/54/774564054.db2.gz	OEFYQSZOYXDPQP-NJAFHUGGSA-N	1	0	361.486	1.684	20	30		FDEDRO
COC(=O)c1cccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1	ZINC000275953247	774744804	/nfs/dbraw/zinc/74/48/04/774744804.db2.gz	ZEMLMNOWGLFJPT-UHFFFAOYSA-N	1	0	360.414	1.106	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1(C[NH2+][C@H](C)c2nnnn2C)CC1	ZINC001167434968	774823885	/nfs/dbraw/zinc/82/38/85/774823885.db2.gz	BFMWUTNSRBUEGP-ILXRZTDVSA-N	1	0	362.478	1.128	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(=O)N(C)CC)CC1	ZINC001167435268	774842869	/nfs/dbraw/zinc/84/28/69/774842869.db2.gz	QMTGOOZZQKLPII-RDJZCZTQSA-N	1	0	351.491	1.322	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1(C[NH2+][C@H](C)C(=O)NC2CC2)CC1	ZINC001167435244	774842941	/nfs/dbraw/zinc/84/29/41/774842941.db2.gz	OZUOZJGLOYEXIO-PVAVHDDUSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(=O)NCC(C)C)CC1	ZINC001167435417	774846173	/nfs/dbraw/zinc/84/61/73/774846173.db2.gz	YKKHONAFXUSHEQ-WMZOPIPTSA-N	1	0	365.518	1.616	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2snnc2C2CC2)C[C@H]1C	ZINC001104317724	774847929	/nfs/dbraw/zinc/84/79/29/774847929.db2.gz	JCLCLBGOVGWJPN-UKRRQHHQSA-N	1	0	362.499	1.753	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1CC[NH2+]CC#Cc1ccccc1	ZINC001104335361	775490932	/nfs/dbraw/zinc/49/09/32/775490932.db2.gz	ORWGKXFORHRCDZ-SJLPKXTDSA-N	1	0	364.449	1.922	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cc(OCC)n[nH]2)C[C@H]1C	ZINC001104338724	775821442	/nfs/dbraw/zinc/82/14/42/775821442.db2.gz	DMKIJBPIDNYOFA-HUUCEWRRSA-N	1	0	350.463	1.699	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)c4occc4C)C[C@H]32)CC1	ZINC001021883402	776483029	/nfs/dbraw/zinc/48/30/29/776483029.db2.gz	GCOOBSKCPAVFSP-ZWKOTPCHSA-N	1	0	369.465	1.606	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)c4ccccc4)C[C@H]32)CC1	ZINC001021884386	776499232	/nfs/dbraw/zinc/49/92/32/776499232.db2.gz	XYXVXTILAIWAAX-VQTJNVASSA-N	1	0	365.477	1.705	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]21	ZINC001021939236	776749467	/nfs/dbraw/zinc/74/94/67/776749467.db2.gz	FWIUZYITRRVBKP-XYJFISCASA-N	1	0	358.486	1.687	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@H]21	ZINC001021939739	776751979	/nfs/dbraw/zinc/75/19/79/776751979.db2.gz	QQBZATSVDCYWGH-ZIFCJYIRSA-N	1	0	370.497	1.831	20	30		FDEDRO
C=C(C)C[C@H](CO)NC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1	ZINC000891413137	776947577	/nfs/dbraw/zinc/94/75/77/776947577.db2.gz	WCBILXPQBJYYLY-QGZVFWFLSA-N	1	0	374.485	1.210	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H]2CCCC(=O)N2)C1	ZINC001075420987	777056418	/nfs/dbraw/zinc/05/64/18/777056418.db2.gz	DPUUXURCOCHZMR-BHIYHBOVSA-N	1	0	371.456	1.649	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)Cn2cc(Cl)cn2)C[C@H]1C	ZINC001104737590	790507112	/nfs/dbraw/zinc/50/71/12/790507112.db2.gz	KQPDEHOUIONOTL-HUUCEWRRSA-N	1	0	354.882	1.813	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1	ZINC001022018945	777137798	/nfs/dbraw/zinc/13/77/98/777137798.db2.gz	KBLJKADEPXQZME-XUVXKRRUSA-N	1	0	367.493	1.610	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cnn(CCC)c2)C[C@H]1C	ZINC001104739544	790514716	/nfs/dbraw/zinc/51/47/16/790514716.db2.gz	AREPDFVDLHHAGE-HZPDHXFCSA-N	1	0	361.490	1.283	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cccc(C(N)=O)c2)C[C@H]1C	ZINC001104359495	777245680	/nfs/dbraw/zinc/24/56/80/777245680.db2.gz	IWQLSOZBRLUUPM-CRAIPNDOSA-N	1	0	357.454	1.123	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CCO[C@@H]3C[N@H+](CC4=CCCCC4)C[C@@H]32)nn1	ZINC001083219926	777272786	/nfs/dbraw/zinc/27/27/86/777272786.db2.gz	VGCKDDZGHBULTR-RBUKOAKNSA-N	1	0	371.485	1.880	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2c[nH]c(=O)n2C)C1	ZINC001075422242	777275329	/nfs/dbraw/zinc/27/53/29/777275329.db2.gz	SXSGTHRHBQMIOL-NVXWUHKLSA-N	1	0	370.428	1.734	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N(C)C)C2)cc1	ZINC001112506008	777469399	/nfs/dbraw/zinc/46/93/99/777469399.db2.gz	VAPATZSNWMMGMQ-RXVVDRJESA-N	1	0	353.466	1.588	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(COCC)CC2)C[C@H]1C	ZINC001104363928	777490818	/nfs/dbraw/zinc/49/08/18/777490818.db2.gz	OLOAEHDVGJJHIP-IXDOHACOSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)C[C@H]1C	ZINC001104365404	777777195	/nfs/dbraw/zinc/77/71/95/777777195.db2.gz	JHPNWSIEXBYSNI-BNOWGMLFSA-N	1	0	367.881	1.373	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N3CCC[C@@H]4[NH2+]CC[C@@H]43)CC2)nc1	ZINC000891498808	778146640	/nfs/dbraw/zinc/14/66/40/778146640.db2.gz	MHQVBYNIKQSBPT-IRXDYDNUSA-N	1	0	354.458	1.458	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1	ZINC000891501073	778152762	/nfs/dbraw/zinc/15/27/62/778152762.db2.gz	YYCPOIXBNONCQR-TZMCWYRMSA-N	1	0	356.348	1.868	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4cnnc4)cc3)[C@H]2C1	ZINC001083223972	778624329	/nfs/dbraw/zinc/62/43/29/778624329.db2.gz	YVYDRHIPKIQREW-ZWKOTPCHSA-N	1	0	353.426	1.369	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C1	ZINC001022223182	778707104	/nfs/dbraw/zinc/70/71/04/778707104.db2.gz	NOHNSNYETZYBEE-SCNOPHJPSA-N	1	0	359.426	1.130	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2C[C@H]3CCN(C(=O)C45CCC[NH+]4CCC5)C[C@H]32)c1	ZINC000971702690	778734518	/nfs/dbraw/zinc/73/45/18/778734518.db2.gz	JWFNUHTYAYOTPL-NVXWUHKLSA-N	1	0	367.453	1.188	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1	ZINC000971706016	778744598	/nfs/dbraw/zinc/74/45/98/778744598.db2.gz	NPGWWDJFDKECEI-KBAYOESNSA-N	1	0	369.469	1.434	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)C[N@H+]4CCC[C@H]4C)C[C@H]32)nc1	ZINC001022294720	779196440	/nfs/dbraw/zinc/19/64/40/779196440.db2.gz	SSBAAVMZNWWVGL-HHXXYDBFSA-N	1	0	366.465	1.220	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)C[N@H+]4CC[C@@H](C)C4)C[C@H]32)nc1	ZINC001022294877	779201168	/nfs/dbraw/zinc/20/11/68/779201168.db2.gz	ZRQYPBUADTXNCC-HHXXYDBFSA-N	1	0	366.465	1.078	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC3(CC2)CC(=O)C=CO3)C[C@H](C)O1	ZINC000891730637	779202360	/nfs/dbraw/zinc/20/23/60/779202360.db2.gz	XPQYLJLRYLAJPS-IYBDPMFKSA-N	1	0	365.474	1.533	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCC[C@H]4[NH2+]CC[C@H]43)C2=O)cc1	ZINC000891764729	779303874	/nfs/dbraw/zinc/30/38/74/779303874.db2.gz	LKVIMDKEWLVQSD-FGTMMUONSA-N	1	0	367.453	1.590	20	30		FDEDRO
CN(CC(=O)NC1(C#N)CCCCC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000376798140	790740436	/nfs/dbraw/zinc/74/04/36/790740436.db2.gz	DAEDOJJTRHBKBC-SFHVURJKSA-N	1	0	361.534	1.429	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1	ZINC000510968681	780446389	/nfs/dbraw/zinc/44/63/89/780446389.db2.gz	NPXGUGCPERBZQM-QWHCGFSZSA-N	1	0	374.407	1.718	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1	ZINC000277099984	780744843	/nfs/dbraw/zinc/74/48/43/780744843.db2.gz	LFENUULMZJJJBM-QGZVFWFLSA-N	1	0	372.469	1.484	20	30		FDEDRO
Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1	ZINC000101690188	780850750	/nfs/dbraw/zinc/85/07/50/780850750.db2.gz	SOWXUAYLPQORJG-HNNXBMFYSA-N	1	0	369.469	1.864	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000277249482	781209659	/nfs/dbraw/zinc/20/96/59/781209659.db2.gz	PUYIAEDVGORLCW-SFHVURJKSA-N	1	0	369.469	1.443	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C4CC(C)(C)C4)[C@@H]3C2)CC1	ZINC000972005851	781401895	/nfs/dbraw/zinc/40/18/95/781401895.db2.gz	XEHPPOKPLIZFPG-IEBWSBKVSA-N	1	0	371.525	1.827	20	30		FDEDRO
C[C@@H]1CCCN(C(=[NH2+])NCCC(=O)N2CCN(c3ccccc3)CC2)C1	ZINC000104183340	781543749	/nfs/dbraw/zinc/54/37/49/781543749.db2.gz	YYYPPFOOINXKRG-QGZVFWFLSA-N	1	0	357.502	1.772	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1C#N	ZINC000472111195	781652274	/nfs/dbraw/zinc/65/22/74/781652274.db2.gz	UBVWNSJMPNUZMT-HZPDHXFCSA-N	1	0	371.489	1.059	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C	ZINC000472120602	781712333	/nfs/dbraw/zinc/71/23/33/781712333.db2.gz	SBHRCOSIGVXLGV-BEFAXECRSA-N	1	0	366.506	1.390	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)c2ccccc2OCC(N)=O)C[C@H]1C	ZINC001104400513	781828240	/nfs/dbraw/zinc/82/82/40/781828240.db2.gz	LEUFGGSUUIINSF-HZPDHXFCSA-N	1	0	359.470	1.815	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cc4c(cc3O)OCO4)C2=O)cc1	ZINC000277446439	781916166	/nfs/dbraw/zinc/91/61/66/781916166.db2.gz	OWRQWXSYYSWGNE-MRXNPFEDSA-N	1	0	365.389	1.883	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(C(N)=O)c2)C1	ZINC000972375067	783539078	/nfs/dbraw/zinc/53/90/78/783539078.db2.gz	YIKNVCSEXBOJOU-KURKYZTESA-N	1	0	357.454	1.409	20	30		FDEDRO
C=CCn1c([C@@H]2CCO[C@@H]2C)nnc1N1CC[NH+](C2CCOCC2)CC1	ZINC000647370830	783727092	/nfs/dbraw/zinc/72/70/92/783727092.db2.gz	DBPDDALXRQSVAD-NVXWUHKLSA-N	1	0	361.490	1.658	20	30		FDEDRO
N#Cc1ccccc1N1CCC(NC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1	ZINC000892428940	783811533	/nfs/dbraw/zinc/81/15/33/783811533.db2.gz	MRLQTRVEXCJXFX-WMZOPIPTSA-N	1	0	353.470	1.920	20	30		FDEDRO
CON=Cc1ccc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1	ZINC000255685722	783871429	/nfs/dbraw/zinc/87/14/29/783871429.db2.gz	VRJRFKRQGAWSGG-UHFFFAOYSA-N	1	0	358.442	1.047	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3c(C)coc3C)C[C@H]21	ZINC000972834603	783900986	/nfs/dbraw/zinc/90/09/86/783900986.db2.gz	AZWHARJFUKOYLB-FGTMMUONSA-N	1	0	369.465	1.667	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3ccncc3C)C[C@H]21	ZINC000972835063	783902480	/nfs/dbraw/zinc/90/24/80/783902480.db2.gz	MMAJHCFVTAYGQK-NZSAHSFTSA-N	1	0	366.465	1.161	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cnoc2CC)C[C@H]1C	ZINC001104742609	790986541	/nfs/dbraw/zinc/98/65/41/790986541.db2.gz	CXZYFJHDYFWSSQ-QLFBSQMISA-N	1	0	362.474	1.616	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)c1	ZINC001024157436	784026491	/nfs/dbraw/zinc/02/64/91/784026491.db2.gz	BBBMREKJNJKTBN-BMFZPTHFSA-N	1	0	358.417	1.147	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000658488607	784169458	/nfs/dbraw/zinc/16/94/58/784169458.db2.gz	SBOZYQJYXTWYBG-IBGZPJMESA-N	1	0	373.497	1.770	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)NCC(=O)NCC#N	ZINC000377048602	791007294	/nfs/dbraw/zinc/00/72/94/791007294.db2.gz	UJPHJFBQTBPPOR-DOTOQJQBSA-N	1	0	357.458	1.178	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2cnns2)C1	ZINC001024195650	784307875	/nfs/dbraw/zinc/30/78/75/784307875.db2.gz	FMFCFNWLPYYNLM-KBMXLJTQSA-N	1	0	350.488	1.848	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1CCCCN1Cc1ccc(C#N)s1	ZINC001024491063	784898544	/nfs/dbraw/zinc/89/85/44/784898544.db2.gz	UYHYLCCUGQABOO-VBQJREDUSA-N	1	0	363.483	1.894	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(CC(C)(C)O)C[C@H]2C)C1	ZINC000658698614	784898743	/nfs/dbraw/zinc/89/87/43/784898743.db2.gz	FGUYBPRVIYQEFU-HZPDHXFCSA-N	1	0	351.491	1.105	20	30		FDEDRO
C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	ZINC001024508890	784990726	/nfs/dbraw/zinc/99/07/26/784990726.db2.gz	NXDGDXRYFHNSTO-MCIONIFRSA-N	1	0	350.381	1.880	20	30		FDEDRO
CC(C)[NH+]1CCN([C@H]2CCN([C@@H](C)C(=O)Nc3cccc(C#N)c3)C2)CC1	ZINC000375900275	785261181	/nfs/dbraw/zinc/26/11/81/785261181.db2.gz	GFQDYJGIPMHYRS-PXNSSMCTSA-N	1	0	369.513	1.986	20	30		FDEDRO
CCCn1nc2c(cc1=O)C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)CC2	ZINC000365285802	785374583	/nfs/dbraw/zinc/37/45/83/785374583.db2.gz	AWVJWQHGCZXNRZ-KRWDZBQOSA-N	1	0	368.437	1.323	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCCN(c3ncccn3)CC2)cc1	ZINC000365301171	785390194	/nfs/dbraw/zinc/39/01/94/785390194.db2.gz	VVXZXTOESBPPKU-QGZVFWFLSA-N	1	0	353.426	1.300	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)[C@H]2C1	ZINC001083271464	785816415	/nfs/dbraw/zinc/81/64/15/785816415.db2.gz	KIJKRZRYQQVDJZ-BPQIPLTHSA-N	1	0	361.486	1.265	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c(=O)oc4ccccc43)[C@H]2C1	ZINC001083271688	785823943	/nfs/dbraw/zinc/82/39/43/785823943.db2.gz	WVOSJITZCFRSJI-DOTOQJQBSA-N	1	0	357.410	1.082	20	30		FDEDRO
C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NC1CC[NH+](CCCOC)CC1	ZINC000668789473	785903376	/nfs/dbraw/zinc/90/33/76/785903376.db2.gz	XALYNCBHSYAWBY-WMZOPIPTSA-N	1	0	365.518	1.855	20	30		FDEDRO
CN1CC[NH+](C[C@@H]2CCCN(c3cc(N)c([N+](=O)[O-])c(C#N)c3)C2)CC1	ZINC000376187587	786699747	/nfs/dbraw/zinc/69/97/47/786699747.db2.gz	MMMYHDXPVOHVIF-AWEZNQCLSA-N	1	0	358.446	1.512	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCCc2nnnn2-c2ccccc2)CC1	ZINC000511437204	786779390	/nfs/dbraw/zinc/77/93/90/786779390.db2.gz	ILQKNESHRUMFNZ-UHFFFAOYSA-N	1	0	355.446	1.154	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000978735238	805725176	/nfs/dbraw/zinc/72/51/76/805725176.db2.gz	MAWCDSDBJIHCEN-JSQNDZKTSA-N	1	0	357.458	1.241	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccccc2C#N)C1	ZINC001024964075	786987383	/nfs/dbraw/zinc/98/73/83/786987383.db2.gz	CGMSOYXAFDNPMQ-ATZDWAIDSA-N	1	0	368.481	1.944	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)nc1	ZINC000972992966	787230051	/nfs/dbraw/zinc/23/00/51/787230051.db2.gz	SUMIKUWZWHAPHY-IEBWSBKVSA-N	1	0	366.465	1.078	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)CC1	ZINC000332826338	787405287	/nfs/dbraw/zinc/40/52/87/787405287.db2.gz	IDRGZMVGBIQXAI-WMZOPIPTSA-N	1	0	359.474	1.096	20	30		FDEDRO
N#Cc1sccc1N1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1	ZINC000892585926	787474063	/nfs/dbraw/zinc/47/40/63/787474063.db2.gz	LIJLGPJBLMLJJK-QDMKHBRRSA-N	1	0	359.499	1.982	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](O)Cn2cccn2)C1	ZINC001104553964	787768836	/nfs/dbraw/zinc/76/88/36/787768836.db2.gz	KFNFLWBTBOAHBY-QRVBRYPASA-N	1	0	360.502	1.512	20	30		FDEDRO
CCCc1[nH]ccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104567328	787997745	/nfs/dbraw/zinc/99/77/45/787997745.db2.gz	XXQBZXAPJHWBBE-HUUCEWRRSA-N	1	0	359.474	1.295	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000978866146	805850229	/nfs/dbraw/zinc/85/02/29/805850229.db2.gz	GSOOWNALDOASPD-PNVOZDDCSA-N	1	0	363.502	1.319	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000978882302	805861677	/nfs/dbraw/zinc/86/16/77/805861677.db2.gz	WMDHHIDHUNMEMA-ZKZVPCBQSA-N	1	0	363.502	1.319	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)OC2(CC[NH+](CCCO)CC2)C1	ZINC001098599483	788297609	/nfs/dbraw/zinc/29/76/09/788297609.db2.gz	DCNKNNPYKUXGPJ-KURKYZTESA-N	1	0	366.502	1.432	20	30		FDEDRO
N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)NC2CC[NH+](C3CC3)CC2)c1	ZINC000376549742	788316332	/nfs/dbraw/zinc/31/63/32/788316332.db2.gz	ASVWDCQFFYWMMX-LJQANCHMSA-N	1	0	366.465	1.792	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000978878652	805877439	/nfs/dbraw/zinc/87/74/39/805877439.db2.gz	UOAIBCBIOWICQI-PWXKEOIMSA-N	1	0	357.458	1.241	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnco2)C[C@H]1c1ccccc1	ZINC001211645281	788863798	/nfs/dbraw/zinc/86/37/98/788863798.db2.gz	XERXUBJHAHXHPU-BHYGNILZSA-N	1	0	368.437	1.563	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3nonc3c2)C[C@H]1C	ZINC001104616824	788939351	/nfs/dbraw/zinc/93/93/51/788939351.db2.gz	IAMLIFSQWAUCRK-GDBMZVCRSA-N	1	0	356.426	1.560	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)Cc3c(C)nn(C)c3C)[C@H]2C1	ZINC001083280522	789003294	/nfs/dbraw/zinc/00/32/94/789003294.db2.gz	VOIXQWRCPJEZAI-ZOCIIQOWSA-N	1	0	358.486	1.150	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCS(C)(=O)=O)C[C@H]1c1ccccc1	ZINC001211688463	805928699	/nfs/dbraw/zinc/92/86/99/805928699.db2.gz	YXDCSQOZXKTMRH-ZWKOTPCHSA-N	1	0	364.511	1.972	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCNC(C)=O)C1	ZINC001104631334	789058388	/nfs/dbraw/zinc/05/83/88/789058388.db2.gz	JPNTZWJJHNXARK-YVWKXTFCSA-N	1	0	367.534	1.816	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC(N)=O)C2)CC1	ZINC001104631544	789058907	/nfs/dbraw/zinc/05/89/07/789058907.db2.gz	RIERKDZGWVPEGF-QLFBSQMISA-N	1	0	364.490	1.390	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccn(C)c2C)C[C@H]1C	ZINC001104650103	789165972	/nfs/dbraw/zinc/16/59/72/789165972.db2.gz	AHEMYVPBZPRICQ-HLLBOEOZSA-N	1	0	358.486	1.159	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2OC)C[C@H]1c1ccccc1	ZINC001211647126	789340675	/nfs/dbraw/zinc/34/06/75/789340675.db2.gz	SRMCWNNDNYDBAA-FUHWJXTLSA-N	1	0	352.438	1.650	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1	ZINC000973536550	789390629	/nfs/dbraw/zinc/39/06/29/789390629.db2.gz	CPTCZYIBKWIWDN-TVFCKZIOSA-N	1	0	363.502	1.461	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1	ZINC000659674192	789453526	/nfs/dbraw/zinc/45/35/26/789453526.db2.gz	QXFOFTNTUKWDBT-KURKYZTESA-N	1	0	363.502	1.322	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnns2)C1	ZINC001104699461	789519998	/nfs/dbraw/zinc/51/99/98/789519998.db2.gz	USUBHQHJTCLCLF-XOUADPBQSA-N	1	0	350.488	1.703	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCCC)C1	ZINC001104703833	789551761	/nfs/dbraw/zinc/55/17/61/789551761.db2.gz	BVIPNXJZCGTEEQ-TVFCKZIOSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCC)C1	ZINC001104704344	789553735	/nfs/dbraw/zinc/55/37/35/789553735.db2.gz	UQUMDDGUJJYLJX-VQHPVUNQSA-N	1	0	351.491	1.178	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3nnnn3CC2)C[C@H]1C	ZINC001104708743	789580635	/nfs/dbraw/zinc/58/06/35/789580635.db2.gz	NMNMSNJOQOHROJ-BRWVUGGUSA-N	1	0	360.506	1.666	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN(C)Cc2ccccc2)C1	ZINC001112021660	789667850	/nfs/dbraw/zinc/66/78/50/789667850.db2.gz	ZMIWPDBNTZBZID-UNMCSNQZSA-N	1	0	369.509	1.739	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104717840	789708642	/nfs/dbraw/zinc/70/86/42/789708642.db2.gz	WQCSWESXPLKNNQ-CRAIPNDOSA-N	1	0	368.481	1.115	20	30		FDEDRO
C=C[C@H](CO)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br	ZINC000662165754	806048800	/nfs/dbraw/zinc/04/88/00/806048800.db2.gz	OHXCQOPIIPXIMM-GHMZBOCLSA-N	1	0	350.640	1.979	20	30		FDEDRO
CC(C)(C)OC(=O)NCCN1CCC([NH2+]C2CCN(CC#N)CC2)CC1	ZINC000892908225	791644518	/nfs/dbraw/zinc/64/45/18/791644518.db2.gz	DFWMNIVXQBEEQV-UHFFFAOYSA-N	1	0	365.522	1.553	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2CC23CCN(c2cnc(C#N)cn2)CC3)CC[N@@H+]1C	ZINC001058656191	791729502	/nfs/dbraw/zinc/72/95/02/791729502.db2.gz	XKKGUIVFMIHLJK-FVQBIDKESA-N	1	0	354.458	1.164	20	30		FDEDRO
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)c1C	ZINC000415341718	791953908	/nfs/dbraw/zinc/95/39/08/791953908.db2.gz	PMXKJPWUOKYCLU-LBPRGKRZSA-N	1	0	366.425	1.120	20	30		FDEDRO
C=CCNC(=O)COC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2	ZINC000892959206	792197340	/nfs/dbraw/zinc/19/73/40/792197340.db2.gz	WGUTVFJVGXJLMK-YLJYHZDGSA-N	1	0	358.438	1.371	20	30		FDEDRO
CCCN(C(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1)[C@@H]1CC[NH2+]C1	ZINC000415413575	792219307	/nfs/dbraw/zinc/21/93/07/792219307.db2.gz	YXKCFHDQBRBWQC-MRXNPFEDSA-N	1	0	358.442	1.884	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1	ZINC000415599277	792652684	/nfs/dbraw/zinc/65/26/84/792652684.db2.gz	WVZKNSJFKREJFM-KRWDZBQOSA-N	1	0	364.352	1.310	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(NC(=O)NC)cc3)[C@H]2C1	ZINC001083287282	792666030	/nfs/dbraw/zinc/66/60/30/792666030.db2.gz	AICXONCYINXMDG-DLBZAZTESA-N	1	0	358.442	1.539	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000415615258	792707902	/nfs/dbraw/zinc/70/79/02/792707902.db2.gz	CAIMRVUCICSHLY-SKDRFNHKSA-N	1	0	370.331	1.510	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)ccc1OC(F)(F)F	ZINC000415658071	792756142	/nfs/dbraw/zinc/75/61/42/792756142.db2.gz	UZIPCVWFTQJQJV-WDEREUQCSA-N	1	0	370.331	1.781	20	30		FDEDRO
C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N	ZINC000415754592	792937999	/nfs/dbraw/zinc/93/79/99/792937999.db2.gz	ZDQGKSYNSFKESW-JSGCOSHPSA-N	1	0	365.393	1.632	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(n2cc(C[NH2+]C[C@@H](C)CC)nn2)C1	ZINC001105342751	806220818	/nfs/dbraw/zinc/22/08/18/806220818.db2.gz	URMCIAXDPOIFSW-WBAXXEDZSA-N	1	0	361.490	1.778	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(C)=O)C[C@H]2c2cccc(F)c2)CC1	ZINC001026082445	793188361	/nfs/dbraw/zinc/18/83/61/793188361.db2.gz	CGBLILZQDLUVQP-VQTJNVASSA-N	1	0	371.456	1.601	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)c1	ZINC000415858947	793217455	/nfs/dbraw/zinc/21/74/55/793217455.db2.gz	LXFQCYYZCYJWNB-UHFFFAOYSA-N	1	0	352.438	1.767	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H](F)C2CN(C(=O)OC(C)(C)C)C2)CC1	ZINC000377962868	793246505	/nfs/dbraw/zinc/24/65/05/793246505.db2.gz	RJRXECXUAOMPQS-MRXNPFEDSA-N	1	0	367.465	1.795	20	30		FDEDRO
CO[C@@H]1COC[C@H]1n1cc(CNC(=[NH+]Cc2ccccc2)N(C)C)nn1	ZINC000377969286	793278044	/nfs/dbraw/zinc/27/80/44/793278044.db2.gz	ODSAGJKZFLVSQT-IAGOWNOFSA-N	1	0	358.446	1.072	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(=O)NC3CC3)C[C@H]21	ZINC001026096463	793285744	/nfs/dbraw/zinc/28/57/44/793285744.db2.gz	AHKMRARTOKNSJJ-UJRAXUBMSA-N	1	0	361.486	1.071	20	30		FDEDRO
N#Cc1ccc(NC(=O)CCN2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)cc1	ZINC000378009422	793383494	/nfs/dbraw/zinc/38/34/94/793383494.db2.gz	XWNBQRSZAZOLIB-OALUTQOASA-N	1	0	356.470	1.808	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC[C@H]3CCOC3)C2)nn1	ZINC001104769180	793554442	/nfs/dbraw/zinc/55/44/42/793554442.db2.gz	HPRWBQZMGBCSEU-IXDOHACOSA-N	1	0	361.490	1.579	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnc(C)cn3)C2)nn1	ZINC001104769229	793555618	/nfs/dbraw/zinc/55/56/18/793555618.db2.gz	KMNKEPKNRPUYQB-GDBMZVCRSA-N	1	0	369.473	1.451	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@]2(C)CCCS2(=O)=O)C[C@H]1C	ZINC001104780595	793625442	/nfs/dbraw/zinc/62/54/42/793625442.db2.gz	IPHWBSBEVOALKY-NUJGCVRESA-N	1	0	356.532	1.994	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)C2(NC(C)=O)CCCC2)C[C@H]1C	ZINC001104785977	793652776	/nfs/dbraw/zinc/65/27/76/793652776.db2.gz	LIMNFDUIQXTYRX-SJLPKXTDSA-N	1	0	363.502	1.159	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc3c(c2)COC3)C[C@H]1C	ZINC001104785899	793673751	/nfs/dbraw/zinc/67/37/51/793673751.db2.gz	IQNIAACIAZKWGG-NVXWUHKLSA-N	1	0	371.481	1.707	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)c2cn3nc(C)cc3[nH]c2=O)C[C@H]1C	ZINC001104791841	793692852	/nfs/dbraw/zinc/69/28/52/793692852.db2.gz	CSONTGBXYFAAME-UKRRQHHQSA-N	1	0	357.458	1.595	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccnc(C)c2)C[C@H]1C	ZINC001104817144	793873979	/nfs/dbraw/zinc/87/39/79/793873979.db2.gz	ZKMWNRHXJWXLTB-QGPMSJSTSA-N	1	0	356.470	1.216	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cc3ncccn3n2)C[C@H]1C	ZINC001104821137	793899057	/nfs/dbraw/zinc/89/90/57/793899057.db2.gz	WPQASRIDKWKYCQ-HZPDHXFCSA-N	1	0	355.442	1.067	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)COCc2ccncc2)C[C@H]1C	ZINC001104836276	793973338	/nfs/dbraw/zinc/97/33/38/793973338.db2.gz	DQGRSNAOENCUME-IEBWSBKVSA-N	1	0	359.470	1.322	20	30		FDEDRO
CN(C(=O)C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1)C1(C#N)CCCCC1	ZINC000378364099	794021539	/nfs/dbraw/zinc/02/15/39/794021539.db2.gz	OIOXYABAKBOHST-ZWKOTPCHSA-N	1	0	373.501	1.993	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)C[C@H]1C	ZINC001104871832	794166048	/nfs/dbraw/zinc/16/60/48/794166048.db2.gz	OINRANOPLBNDAG-HUUCEWRRSA-N	1	0	364.490	1.357	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)c2cscn2)C[C@H]1C	ZINC001104879470	794194850	/nfs/dbraw/zinc/19/48/50/794194850.db2.gz	KSRFAYKDHNBEQM-ZIAGYGMSSA-N	1	0	350.488	1.523	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)c2cn([C@H]3CCOC3)nn2)C[C@H]1C	ZINC001104882954	794198347	/nfs/dbraw/zinc/19/83/47/794198347.db2.gz	RMLRNUVOCBXPDN-ZACQAIPSSA-N	1	0	361.490	1.894	20	30		FDEDRO
CC(=O)N1CCC(CNC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)CC1	ZINC000330206272	794228083	/nfs/dbraw/zinc/22/80/83/794228083.db2.gz	DDAMWKZPQCOTHO-OAHLLOKOSA-N	1	0	366.506	1.344	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CCC(=O)NCCCOC)C[C@H]1C	ZINC001104892632	794241112	/nfs/dbraw/zinc/24/11/12/794241112.db2.gz	GNIUPRIHKKMJHT-QZTJIDSGSA-N	1	0	367.534	1.960	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)CCC(=O)NCCCOC)C[C@H]1C	ZINC001104893450	794243788	/nfs/dbraw/zinc/24/37/88/794243788.db2.gz	YIUFOHYTTKDPQO-IAGOWNOFSA-N	1	0	351.491	1.017	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1CC[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001104891883	794251042	/nfs/dbraw/zinc/25/10/42/794251042.db2.gz	YTFNHAKJDMFSAO-CZUORRHYSA-N	1	0	370.432	1.632	20	30		FDEDRO
Cc1nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)ccc1C#N	ZINC001058810194	806322425	/nfs/dbraw/zinc/32/24/25/806322425.db2.gz	KTDCKGFWFMRGKC-NRSFXHEJSA-N	1	0	353.470	1.782	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1	ZINC000378603223	794391516	/nfs/dbraw/zinc/39/15/16/794391516.db2.gz	YZHHUKKJRVPOJA-HUUCEWRRSA-N	1	0	356.426	1.613	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnn(C)n3)C2)nc1	ZINC001104924136	794420776	/nfs/dbraw/zinc/42/07/76/794420776.db2.gz	HSGKRGALDWOBIY-GDBMZVCRSA-N	1	0	352.442	1.079	20	30		FDEDRO
C#CCCCNC(=O)C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000173515326	794421876	/nfs/dbraw/zinc/42/18/76/794421876.db2.gz	NANAYZRCBLPLML-UHFFFAOYSA-N	1	0	356.470	1.292	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnnn3CC)C2)nc1	ZINC001104925016	794423438	/nfs/dbraw/zinc/42/34/38/794423438.db2.gz	XIGOJAYEMGQAAY-NVXWUHKLSA-N	1	0	366.469	1.562	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)CN2Cc3ccccc3C2=O)C[C@H]1C	ZINC001104927648	794435406	/nfs/dbraw/zinc/43/54/06/794435406.db2.gz	NXVCEIUAHALROP-IAGOWNOFSA-N	1	0	353.466	1.740	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1	ZINC000974127003	794477878	/nfs/dbraw/zinc/47/78/78/794477878.db2.gz	DAPKLKGXEAEQRV-WKULXVSPSA-N	1	0	363.502	1.604	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1	ZINC000974125678	794483123	/nfs/dbraw/zinc/48/31/23/794483123.db2.gz	LJIRJTJEDUFATA-ILOCAZANSA-N	1	0	363.502	1.604	20	30		FDEDRO
N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O	ZINC000416677252	794526725	/nfs/dbraw/zinc/52/67/25/794526725.db2.gz	DHDUMOHOZCRSMQ-QZTJIDSGSA-N	1	0	369.469	1.575	20	30		FDEDRO
C[C@@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1)C(C)(C)C	ZINC001104949053	794527545	/nfs/dbraw/zinc/52/75/45/794527545.db2.gz	CISBOMGIFHJFIY-OWCLPIDISA-N	1	0	350.507	1.773	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](CC)C(N)=O)C1	ZINC001104952310	794536808	/nfs/dbraw/zinc/53/68/08/794536808.db2.gz	QLGWOANAYBKMLM-ATZDWAIDSA-N	1	0	355.482	1.549	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3cccc4nsnc43)[C@H]2C1	ZINC001083294886	794557172	/nfs/dbraw/zinc/55/71/72/794557172.db2.gz	ZCLADMXRDCBQJB-JKSUJKDBSA-N	1	0	358.467	1.722	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cn3ccccc3n2)C[C@H]1C	ZINC001104976440	794695261	/nfs/dbraw/zinc/69/52/61/794695261.db2.gz	LVJJORKMQGRQNX-HZPDHXFCSA-N	1	0	369.469	1.324	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC[C@H]2CCOC2)C1	ZINC001112069529	794726663	/nfs/dbraw/zinc/72/66/63/794726663.db2.gz	BZDXCBDLMTUUKP-BFHYXJOUSA-N	1	0	350.381	1.595	20	30		FDEDRO
C[N@H+](CC(=O)Nc1cccc(C#N)c1)C1CCN(c2ncccn2)CC1	ZINC000365850945	794844582	/nfs/dbraw/zinc/84/45/82/794844582.db2.gz	ZWZXFGRZNPWUNX-UHFFFAOYSA-N	1	0	350.426	1.888	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2c[nH]c3ncccc23)C[C@H]1C	ZINC001105026966	794971846	/nfs/dbraw/zinc/97/18/46/794971846.db2.gz	ANENJPCBGBHJBF-HZPDHXFCSA-N	1	0	354.454	1.901	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)CN2CCc3ccccc32)C[C@H]1C	ZINC001105027325	794973176	/nfs/dbraw/zinc/97/31/76/794973176.db2.gz	LDSHPRJAKCRVPF-UYAOXDASSA-N	1	0	369.509	1.773	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCOC2)C[C@H]1C(F)(F)F	ZINC001112074348	795045789	/nfs/dbraw/zinc/04/57/89/795045789.db2.gz	CGSZEFXSNNZUQL-BFHYXJOUSA-N	1	0	350.381	1.595	20	30		FDEDRO
CC[C@H]([NH2+]CC[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C)C(N)=O	ZINC001105044898	795051656	/nfs/dbraw/zinc/05/16/56/795051656.db2.gz	HLUUERNGRBSJNO-QRQLOZEOSA-N	1	0	355.482	1.766	20	30		FDEDRO
Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1	ZINC000979615216	806390049	/nfs/dbraw/zinc/39/00/49/806390049.db2.gz	VVJLZNGEFKWEHV-NMFUWQPSSA-N	1	0	366.425	1.048	20	30		FDEDRO
Cc1c([C@H]2OCC[C@@H]2[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)cnn1C	ZINC000431939785	795162498	/nfs/dbraw/zinc/16/24/98/795162498.db2.gz	TYCXZOCOENKGGO-AYOQOUSVSA-N	1	0	356.426	1.460	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1	ZINC000974329750	795216207	/nfs/dbraw/zinc/21/62/07/795216207.db2.gz	JFWNTFQZTATDGN-OEUWWYETSA-N	1	0	358.442	1.116	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ncnn2CCF)C1	ZINC001105090029	795232972	/nfs/dbraw/zinc/23/29/72/795232972.db2.gz	FXBWEZAJQNWMOG-BZUAXINKSA-N	1	0	367.469	1.413	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2(C)C(C)(C)C2(C)C)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001105115468	795330450	/nfs/dbraw/zinc/33/04/50/795330450.db2.gz	JJMDVVXDONABSH-HUUCEWRRSA-N	1	0	362.518	1.773	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)C2CCOCC2)C[C@H]1C	ZINC001105121264	795349799	/nfs/dbraw/zinc/34/97/99/795349799.db2.gz	SDQTTWGYWLVRST-SOLBZPMBSA-N	1	0	365.518	1.426	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC2(C)C)C[C@H]1c1ccccc1	ZINC001211653754	795371276	/nfs/dbraw/zinc/37/12/76/795371276.db2.gz	WBSSTIOQRWMTKC-IPMKNSEASA-N	1	0	367.493	1.756	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC1CCC([NH2+]Cc2ccccc2C#N)CC1	ZINC001026509561	795482447	/nfs/dbraw/zinc/48/24/47/795482447.db2.gz	XTVBREUNSFDJHH-QKHJWGRCSA-N	1	0	357.454	1.879	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NC2CCC([NH2+]Cc3ccccc3C#N)CC2)O1	ZINC001026514533	795488251	/nfs/dbraw/zinc/48/82/51/795488251.db2.gz	IRMSGWUCVVOQER-BTWUCOSQSA-N	1	0	370.497	1.794	20	30		FDEDRO
CC(C)C[C@@H](C[NH3+])NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000418077020	795513210	/nfs/dbraw/zinc/51/32/10/795513210.db2.gz	KVCBOASEZYWVJE-IRXDYDNUSA-N	1	0	357.458	1.332	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC([NH2+]Cc2c(C)nnn2CC)CC1	ZINC001026563640	795556890	/nfs/dbraw/zinc/55/68/90/795556890.db2.gz	CKNTXOQULKCKBT-IOTAOYMUSA-N	1	0	361.490	1.715	20	30		FDEDRO
COCC1(C#N)CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1	ZINC000500181251	795593072	/nfs/dbraw/zinc/59/30/72/795593072.db2.gz	JBYFBVNSXKWIBI-DLBZAZTESA-N	1	0	364.490	1.326	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@@H+](C)C1CCN(C(=O)c2ccccc2)CC1	ZINC000500187808	795597141	/nfs/dbraw/zinc/59/71/41/795597141.db2.gz	RHQWAMKKZYKJKY-UHFFFAOYSA-N	1	0	358.442	1.235	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1ccccc1CC[NH+](C)C	ZINC001026622258	795722735	/nfs/dbraw/zinc/72/27/35/795722735.db2.gz	UNEUWNGZXUMPOZ-OXQOHEQNSA-N	1	0	367.493	1.781	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)C[C@H]1c1ccccc1	ZINC001211655776	795759124	/nfs/dbraw/zinc/75/91/24/795759124.db2.gz	XVDBHMUJGJCANK-WAOWUJCRSA-N	1	0	353.466	1.510	20	30		FDEDRO
Cc1onc(CC(=O)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)c1C#N	ZINC000500290039	795789260	/nfs/dbraw/zinc/78/92/60/795789260.db2.gz	RWNNHVXPIULFEA-CQSZACIVSA-N	1	0	354.414	1.571	20	30		FDEDRO
C[C@H](C[NH3+])CNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N	ZINC000418473934	795966410	/nfs/dbraw/zinc/96/64/10/795966410.db2.gz	PFHIZHRZSSZKPM-GFCCVEGCSA-N	1	0	373.436	1.292	20	30		FDEDRO
C[C@@H](C[NH3+])CNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N	ZINC000418473935	795966625	/nfs/dbraw/zinc/96/66/25/795966625.db2.gz	PFHIZHRZSSZKPM-LBPRGKRZSA-N	1	0	373.436	1.292	20	30		FDEDRO
CC[NH2+][C@H](C)CNC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000418586938	806569275	/nfs/dbraw/zinc/56/92/75/806569275.db2.gz	BDBXWUHMQUBSEE-OAHLLOKOSA-N	1	0	366.469	1.936	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2ccn(C)n2)C1	ZINC001087427567	806573861	/nfs/dbraw/zinc/57/38/61/806573861.db2.gz	JPEBXQHYXPLZEX-WOJBJXKFSA-N	1	0	350.466	1.960	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cn1	ZINC000979884024	806585791	/nfs/dbraw/zinc/58/57/91/806585791.db2.gz	KLCRUQXGNFFALF-UDTPNQRGSA-N	1	0	368.481	1.418	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)C2CC[NH+](C)CC2)C1	ZINC000979990690	806661166	/nfs/dbraw/zinc/66/11/66/806661166.db2.gz	BSANPGCEHJIXRH-DDBAPUKQSA-N	1	0	363.502	1.320	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCNS(C)(=O)=O)C1	ZINC001112523452	799941553	/nfs/dbraw/zinc/94/15/53/799941553.db2.gz	UMNUPNFRUHGNIG-JQHSSLGASA-N	1	0	371.547	1.356	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nc(CCC)no2)C1	ZINC001026850196	800020716	/nfs/dbraw/zinc/02/07/16/800020716.db2.gz	PBSIMOFJNCZIBM-OAGGEKHMSA-N	1	0	362.474	1.941	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)C[C@H]4CC[N@@H+](C)C4)C[C@H]32)cc1	ZINC000974702210	800121329	/nfs/dbraw/zinc/12/13/29/800121329.db2.gz	PRSWQMCHRRVFMY-MISYRCLQSA-N	1	0	365.477	1.683	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@H]1c1ccccc1	ZINC001211659763	800137262	/nfs/dbraw/zinc/13/72/62/800137262.db2.gz	PLWRPVZLGDCOCN-RBUKOAKNSA-N	1	0	352.438	1.406	20	30		FDEDRO
C=C(C)Cn1c(-c2ccc(=O)n(C)c2)nnc1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	ZINC000909344060	800482868	/nfs/dbraw/zinc/48/28/68/800482868.db2.gz	MKBSHHJEHDTPEN-UZLBHIALSA-N	1	0	368.485	1.608	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCN(C(=O)COc3ccc(C)cc3)CC2)CCC[NH2+]1	ZINC000662554753	806845511	/nfs/dbraw/zinc/84/55/11/806845511.db2.gz	VUWGBHZOJOFWDV-NRFANRHFSA-N	1	0	371.481	1.743	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001027067116	800646313	/nfs/dbraw/zinc/64/63/13/800646313.db2.gz	JHUVYXOMLGBVFL-KURKYZTESA-N	1	0	354.454	1.221	20	30		FDEDRO
CC1(C)C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)C1	ZINC000975043626	800763968	/nfs/dbraw/zinc/76/39/68/800763968.db2.gz	FCAMRRJRQHOYSW-SQNIBIBYSA-N	1	0	368.481	1.786	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2nc(C)cc2C)CC1(C)C	ZINC000975059976	800804433	/nfs/dbraw/zinc/80/44/33/800804433.db2.gz	YDXRCLLXOJWSDS-FGTMMUONSA-N	1	0	360.502	1.918	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cn(CC3CC3)nn2)C1	ZINC001027075256	800887823	/nfs/dbraw/zinc/88/78/23/800887823.db2.gz	PHAVGYXPMVJDIP-JQHSSLGASA-N	1	0	359.474	1.217	20	30		FDEDRO
N#Cc1sccc1N1CCN(C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)CC1	ZINC000662624141	806886272	/nfs/dbraw/zinc/88/62/72/806886272.db2.gz	NQQIEYZWIJYARN-AGUYFDCRSA-N	1	0	358.467	1.083	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000975313059	801162820	/nfs/dbraw/zinc/16/28/20/801162820.db2.gz	YDPZCUDNMIMSJI-IIAWOOMASA-N	1	0	357.458	1.195	20	30		FDEDRO
C#Cc1ccc(C(=O)NC2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cn1	ZINC000980240272	806907691	/nfs/dbraw/zinc/90/76/91/806907691.db2.gz	QPOVHVZIGXVUAZ-YOODTLSXSA-N	1	0	368.481	1.560	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000660866132	801874880	/nfs/dbraw/zinc/87/48/80/801874880.db2.gz	WOEBGSBHLCPHRE-GUDVDZBRSA-N	1	0	364.534	1.827	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]32)C1	ZINC000975665643	801885742	/nfs/dbraw/zinc/88/57/42/801885742.db2.gz	BVBGAOYKHIZHGN-MPGHIAIKSA-N	1	0	369.469	1.291	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H]3CCN(C(=O)C[NH+]4CCCC4)C[C@@H]32)c1	ZINC000975715093	802104261	/nfs/dbraw/zinc/10/42/61/802104261.db2.gz	SNGYGIJVQDYVKQ-HKUYNNGSSA-N	1	0	366.465	1.222	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@H]2C1	ZINC000975768450	802268032	/nfs/dbraw/zinc/26/80/32/802268032.db2.gz	PPXDVLJNBBUGSP-SCTDSRPQSA-N	1	0	370.497	1.831	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)CC4CC4)[C@H]3C2)CC1	ZINC000975754905	802269547	/nfs/dbraw/zinc/26/95/47/802269547.db2.gz	SBWSVMRQDSKUEX-HKUYNNGSSA-N	1	0	357.498	1.581	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)CC4(C)CC4)C[C@@H]32)CC1	ZINC000975813533	802445438	/nfs/dbraw/zinc/44/54/38/802445438.db2.gz	ONPSJHXGMXMIMT-HKUYNNGSSA-N	1	0	371.525	1.971	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@H]3C2)C1	ZINC000975818659	802510310	/nfs/dbraw/zinc/51/03/10/802510310.db2.gz	IIBVVCYOEGVAPQ-VKJFTORMSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(CC[NH2+][C@H]2CCN(C)C2=O)cc1	ZINC001027254962	802640705	/nfs/dbraw/zinc/64/07/05/802640705.db2.gz	VNCTWFRMXWDQAK-QYZOEREBSA-N	1	0	371.481	1.257	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c3n(c(=O)n1C)CCCC3)C2	ZINC001112531268	807001843	/nfs/dbraw/zinc/00/18/43/807001843.db2.gz	OVLONDSJORLWLB-KKSFZXQISA-N	1	0	370.497	1.378	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c(OC)c1	ZINC000661149617	802844450	/nfs/dbraw/zinc/84/44/50/802844450.db2.gz	XKTFBFWOSDRCMR-QZTJIDSGSA-N	1	0	372.469	1.777	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@H]2C1	ZINC000976023506	802882830	/nfs/dbraw/zinc/88/28/30/802882830.db2.gz	FZSMXTOAFRQXEO-VKJFTORMSA-N	1	0	369.469	1.434	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)[C@@H]4CC45CC5)C[C@@H]32)CC1	ZINC000976095792	802953783	/nfs/dbraw/zinc/95/37/83/802953783.db2.gz	DUTIQKJPLQMBHP-WDSOQIARSA-N	1	0	369.509	1.581	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C(C)(C)F)CC1	ZINC000976149171	802999296	/nfs/dbraw/zinc/99/92/96/802999296.db2.gz	JWPWTEJICUAHJY-HZPDHXFCSA-N	1	0	351.466	1.623	20	30		FDEDRO
C=CC[N@@H+](CCOc1ccc(S(=O)(=O)N(C)C)cc1)[C@@H](C)COC	ZINC000661246151	803096486	/nfs/dbraw/zinc/09/64/86/803096486.db2.gz	IITGLZSKCCYJTR-HNNXBMFYSA-N	1	0	356.488	1.839	20	30		FDEDRO
C=CC[C@@]1(C(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)CCC[NH2+]1	ZINC000662799382	803303261	/nfs/dbraw/zinc/30/32/61/803303261.db2.gz	KCXWZDOWLUSDQT-IBGZPJMESA-N	1	0	361.417	1.935	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2cocn2)CC1	ZINC000976399302	803337165	/nfs/dbraw/zinc/33/71/65/803337165.db2.gz	SFCKGOJMKDCVPN-HZPDHXFCSA-N	1	0	358.442	1.177	20	30		FDEDRO
CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N	ZINC000162809355	803358555	/nfs/dbraw/zinc/35/85/55/803358555.db2.gz	BCFJNWGADDEAND-HNNXBMFYSA-N	1	0	360.458	1.962	20	30		FDEDRO
C=CC[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1	ZINC000661379873	803432414	/nfs/dbraw/zinc/43/24/14/803432414.db2.gz	BTHYGDMLLFUJKR-AWEZNQCLSA-N	1	0	351.472	1.951	20	30		FDEDRO
C=CC[C@]1(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)CCC[NH2+]1	ZINC000662819559	803480045	/nfs/dbraw/zinc/48/00/45/803480045.db2.gz	HNDVIJRFGFRTTG-SUMWQHHRSA-N	1	0	350.440	1.036	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1	ZINC000423124497	814966974	/nfs/dbraw/zinc/96/69/74/814966974.db2.gz	MOTKNRVMJFOSRF-MSOLQXFVSA-N	1	0	354.454	1.365	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1	ZINC000423129258	814967945	/nfs/dbraw/zinc/96/79/45/814967945.db2.gz	QYODVNCEYZDFSF-MSOLQXFVSA-N	1	0	354.454	1.365	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1	ZINC000423129262	814968471	/nfs/dbraw/zinc/96/84/71/814968471.db2.gz	QYODVNCEYZDFSF-ZWKOTPCHSA-N	1	0	354.454	1.365	20	30		FDEDRO
CC(C)[N@H+](C)CCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000503909926	814979583	/nfs/dbraw/zinc/97/95/83/814979583.db2.gz	HAMNRIFFZQVIRY-QGZVFWFLSA-N	1	0	357.458	1.693	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1	ZINC000423184794	814983503	/nfs/dbraw/zinc/98/35/03/814983503.db2.gz	IQQPAULVXIBHRC-FHWLQOOXSA-N	1	0	366.465	1.659	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1	ZINC000423173142	814987508	/nfs/dbraw/zinc/98/75/08/814987508.db2.gz	XCMNEHVUWIBLOP-RDJZCZTQSA-N	1	0	359.470	1.653	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+](C)C[C@@H]2COCCO2)c(OC)c1	ZINC000661607201	804244688	/nfs/dbraw/zinc/24/46/88/804244688.db2.gz	QBNFJPSBFKDPDI-IAGOWNOFSA-N	1	0	351.443	1.511	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCCO1	ZINC000909371443	804540844	/nfs/dbraw/zinc/54/08/44/804540844.db2.gz	VFDDBIDFYYUODY-HNNXBMFYSA-N	1	0	355.479	1.637	20	30		FDEDRO
C#C[C@H]1CCCCN1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1	ZINC000893495005	804671594	/nfs/dbraw/zinc/67/15/94/804671594.db2.gz	UOKFVBJEHSUQLG-KRWDZBQOSA-N	1	0	362.518	1.810	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4ccn[nH]4)[C@@H]3C2)cc1	ZINC001075569387	804710584	/nfs/dbraw/zinc/71/05/84/804710584.db2.gz	PYEMSLSLVHIRLH-MAUKXSAKSA-N	1	0	351.410	1.659	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CCN2C(=O)[C@]23C[C@H]2CCC3)CC1	ZINC000977856630	805005201	/nfs/dbraw/zinc/00/52/01/805005201.db2.gz	XVZGABFFSWJPTO-LVCYWYKZSA-N	1	0	357.498	1.581	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2cnn(C)c2)C1	ZINC001087423266	805076940	/nfs/dbraw/zinc/07/69/40/805076940.db2.gz	RKPRFFRGAFSYHW-WOJBJXKFSA-N	1	0	350.466	1.960	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1	ZINC000423350377	815050571	/nfs/dbraw/zinc/05/05/71/815050571.db2.gz	ZDQFVVAPDJCKDZ-QZTJIDSGSA-N	1	0	365.518	1.936	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1	ZINC000423349413	815050578	/nfs/dbraw/zinc/05/05/78/815050578.db2.gz	WOEWEKCPQCVWFW-MSOLQXFVSA-N	1	0	365.518	1.936	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC)C1	ZINC001211676549	805292938	/nfs/dbraw/zinc/29/29/38/805292938.db2.gz	MTTYRBHYKHJBQG-HCXYKTFWSA-N	1	0	371.481	1.298	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000980578988	807077559	/nfs/dbraw/zinc/07/75/59/807077559.db2.gz	FVGCRPYDZASGRJ-WEVKCVHISA-N	1	0	363.502	1.319	20	30		FDEDRO
C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	ZINC001027966748	807132170	/nfs/dbraw/zinc/13/21/70/807132170.db2.gz	UCJFCUQDPHFDLV-MJBXVCDLSA-N	1	0	350.381	1.880	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cncc(C)c2)C1	ZINC000981088829	807551378	/nfs/dbraw/zinc/55/13/78/807551378.db2.gz	MIORUDYITZZAAN-UHOSZYNNSA-N	1	0	368.481	1.502	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1	ZINC000981195646	807678737	/nfs/dbraw/zinc/67/87/37/807678737.db2.gz	VDLPQCRWXLVARB-IJEWVQPXSA-N	1	0	357.458	1.243	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1	ZINC000981194247	807698589	/nfs/dbraw/zinc/69/85/89/807698589.db2.gz	BXXOSGZKIZAMFX-IJEWVQPXSA-N	1	0	357.458	1.385	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)c1	ZINC001028048333	807715482	/nfs/dbraw/zinc/71/54/82/807715482.db2.gz	VCTPIPSXJDIMQD-ZGXWSNOMSA-N	1	0	369.465	1.690	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@@H]3CC3(F)F)C2)CC1	ZINC000981296458	807862732	/nfs/dbraw/zinc/86/27/32/807862732.db2.gz	IMMXIHZYKMYSJO-IMJJTQAJSA-N	1	0	367.440	1.388	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1	ZINC000981339844	807915638	/nfs/dbraw/zinc/91/56/38/807915638.db2.gz	IQEZQRVSAJNCPU-YXJHDRRASA-N	1	0	371.485	1.774	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)Cc3ccoc3)C2)CC1	ZINC000981544056	808114352	/nfs/dbraw/zinc/11/43/52/808114352.db2.gz	CHKWJHZCCTYHSG-QFBILLFUSA-N	1	0	371.481	1.568	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@H]3CC34CC4)C2)CC1	ZINC000981544618	808114875	/nfs/dbraw/zinc/11/48/75/808114875.db2.gz	MGCDJURAQWRROH-CGTJXYLNSA-N	1	0	357.498	1.533	20	30		FDEDRO
C[NH2+]CC1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)CC1	ZINC000423658229	815187447	/nfs/dbraw/zinc/18/74/47/815187447.db2.gz	FFJZINUGFGPHLM-MSOLQXFVSA-N	1	0	354.454	1.210	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc(F)c[nH]2)C1	ZINC000981625942	808256481	/nfs/dbraw/zinc/25/64/81/808256481.db2.gz	VZNLYDFJFMFGKP-LXZKKBNFSA-N	1	0	360.433	1.266	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N(CCC[NH3+])Cc1ccccc1	ZINC000423670246	815194948	/nfs/dbraw/zinc/19/49/48/815194948.db2.gz	MCEWBHGEHJANHI-UHFFFAOYSA-N	1	0	364.449	1.894	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1)C(C)C	ZINC000663669602	808421721	/nfs/dbraw/zinc/42/17/21/808421721.db2.gz	ZILCCRXILWORKB-RCCFBDPRSA-N	1	0	362.518	1.995	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccnc(N(C)C)c1	ZINC001028142835	808653772	/nfs/dbraw/zinc/65/37/72/808653772.db2.gz	RDWPWUSUXUNSJF-KURKYZTESA-N	1	0	358.486	1.819	20	30		FDEDRO
CC(C)N1CCO[C@@H](C(=O)N[C@@H]2CN(CC#N)CC[C@@H]2c2ccccc2)C1	ZINC001087435368	808782395	/nfs/dbraw/zinc/78/23/95/808782395.db2.gz	LZSBNUSZAKPDHY-VAMGGRTRSA-N	1	0	370.497	1.593	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)CC1	ZINC000981974383	808907106	/nfs/dbraw/zinc/90/71/06/808907106.db2.gz	IAQKJBWDGYCOBP-LFAQGZIKSA-N	1	0	371.525	1.779	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1	ZINC000418661966	809111757	/nfs/dbraw/zinc/11/17/57/809111757.db2.gz	BVDNDPSDYWBUHF-BZUAXINKSA-N	1	0	371.489	1.333	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1	ZINC000418739578	809178685	/nfs/dbraw/zinc/17/86/85/809178685.db2.gz	YXJSRIFKKAZEHY-RBSFLKMASA-N	1	0	357.462	1.086	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)CCC)C[C@H]1c1ccccc1	ZINC001211724079	809338457	/nfs/dbraw/zinc/33/84/57/809338457.db2.gz	LDCLKCQRZDTYAJ-DLBZAZTESA-N	1	0	350.484	1.581	20	30		FDEDRO
C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1	ZINC000419005378	809380128	/nfs/dbraw/zinc/38/01/28/809380128.db2.gz	PHADLOQENLYGDL-CHWSQXEVSA-N	1	0	355.398	1.906	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(CC)CCO2)C[C@H]1c1ccccc1	ZINC001211726267	809404701	/nfs/dbraw/zinc/40/47/01/809404701.db2.gz	SWRORGASOIUBOC-ZCNNSNEGSA-N	1	0	357.498	1.867	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)c1	ZINC000419074828	809530937	/nfs/dbraw/zinc/53/09/37/809530937.db2.gz	FGDGDVZHLKRGLQ-ZWKOTPCHSA-N	1	0	366.396	1.267	20	30		FDEDRO
O=C(NCC#Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H]1CCCC[NH2+]C1	ZINC000419115145	809587118	/nfs/dbraw/zinc/58/71/18/809587118.db2.gz	NNINXJROVGPNSN-OAHLLOKOSA-N	1	0	367.371	1.431	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)CS(C)(=O)=O)C[C@H]1c1ccccc1	ZINC001211732422	809773430	/nfs/dbraw/zinc/77/34/30/809773430.db2.gz	GWHQTIMSJQKRLT-BHYGNILZSA-N	1	0	350.484	1.437	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1CCOC[C@@H]1c1noc(-c2ccccc2)n1	ZINC000424186959	815324304	/nfs/dbraw/zinc/32/43/04/815324304.db2.gz	IIYWBWRJBKSHLP-HUUCEWRRSA-N	1	0	355.398	1.658	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](CCCC)NC(N)=O)C[C@H]1c1ccccc1	ZINC001211736063	809925313	/nfs/dbraw/zinc/92/53/13/809925313.db2.gz	FZQAUSMPYVKDMD-OKZBNKHCSA-N	1	0	358.486	1.984	20	30		FDEDRO
CCOC(=O)C(C)N=Nc1cc(NC(=N)SCC[NH3+])ccc1[N+](=O)[O-]	ZINC001167915254	809961677	/nfs/dbraw/zinc/96/16/77/809961677.db2.gz	FXOKTRBRNVVBJI-NVMNQCDNSA-N	1	0	368.419	1.984	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1	ZINC001087456136	810092059	/nfs/dbraw/zinc/09/20/59/810092059.db2.gz	GBESZESHBNLJHU-KBAYOESNSA-N	1	0	359.445	1.812	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1	ZINC000983257968	815342269	/nfs/dbraw/zinc/34/22/69/815342269.db2.gz	FZCMMCINRUXELO-YSVLISHTSA-N	1	0	369.425	1.087	20	30		FDEDRO
N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1	ZINC000473477725	810134478	/nfs/dbraw/zinc/13/44/78/810134478.db2.gz	CKTCGTIUDPYRHV-GBESFXJTSA-N	1	0	366.465	1.792	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)N1C[C@@H](NC(=O)C(C)(F)F)[C@H](OC)C1	ZINC001211761918	810140691	/nfs/dbraw/zinc/14/06/91/810140691.db2.gz	RIDDPJJPMBCBGG-MGPQQGTHSA-N	1	0	361.433	1.270	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000512812604	810286786	/nfs/dbraw/zinc/28/67/86/810286786.db2.gz	WMXTZMCXAPHLKC-UHFFFAOYSA-N	1	0	374.485	1.556	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NCCC[NH2+]Cc1cccnc1)c1ccc(C#N)cc1	ZINC000419291430	810327831	/nfs/dbraw/zinc/32/78/31/810327831.db2.gz	SAFIYABBYGUGLR-HNNXBMFYSA-N	1	0	365.437	1.427	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](Cc3cnn(C)c3)C[C@]2(C)C1	ZINC000982575087	810416885	/nfs/dbraw/zinc/41/68/85/810416885.db2.gz	UGRIZJYQYFKLIR-BWPNAZKDSA-N	1	0	358.486	1.682	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](Cc3cncn3C)C[C@]2(C)C1	ZINC000982575071	810417252	/nfs/dbraw/zinc/41/72/52/810417252.db2.gz	SEWRXZPFMMJOPT-BWPNAZKDSA-N	1	0	358.486	1.682	20	30		FDEDRO
C[N@H+](CCOc1cccc(CNC(=O)NCCC#N)c1)C1CCOCC1	ZINC000426417944	810470429	/nfs/dbraw/zinc/47/04/29/810470429.db2.gz	CYDIUGGTAWBWDE-UHFFFAOYSA-N	1	0	360.458	1.889	20	30		FDEDRO
C[C@@H]1CC2(CN1C(=O)C(=O)N(C)Cc1cccc(C#N)c1)CC[NH2+]CC2	ZINC000424491753	815374580	/nfs/dbraw/zinc/37/45/80/815374580.db2.gz	FNGFSQJYWKXANZ-OAHLLOKOSA-N	1	0	354.454	1.507	20	30		FDEDRO
C=CC[C@H]1N(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CCCC1(C)C	ZINC000424496484	815376493	/nfs/dbraw/zinc/37/64/93/815376493.db2.gz	TZGGKDQMGMPIKC-GVDBMIGSSA-N	1	0	373.501	1.267	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCc2cnn(CC)c2)C1	ZINC001028549169	810616788	/nfs/dbraw/zinc/61/67/88/810616788.db2.gz	NDOYMYKCTDQURW-UHOSZYNNSA-N	1	0	360.502	1.865	20	30		FDEDRO
C=CCN1CC[C@H](N2CC[C@H](c3ccc(F)cc3)[C@H](NC(C)=O)C2)C1=O	ZINC001087461086	810667197	/nfs/dbraw/zinc/66/71/97/810667197.db2.gz	QQBWMYUBYZEEPW-QRVBRYPASA-N	1	0	359.445	1.907	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C[NH+](C)C)c2)cc1	ZINC000047460307	810785571	/nfs/dbraw/zinc/78/55/71/810785571.db2.gz	JUMBOKPAHBWOPC-UHFFFAOYSA-N	1	0	371.462	1.912	20	30		FDEDRO
CC[NH+]=C(NC[C@H](O)c1cnn(C)c1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2	ZINC000261774913	810822622	/nfs/dbraw/zinc/82/26/22/810822622.db2.gz	PNFNEKIZZSWGLY-NXOAAHMSSA-N	1	0	361.490	1.356	20	30		FDEDRO
C[C@@H]1CC[N@H+](CCNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1	ZINC000894186002	810855841	/nfs/dbraw/zinc/85/58/41/810855841.db2.gz	SMKDTNRFPSWKTQ-ILXRZTDVSA-N	1	0	365.478	1.386	20	30		FDEDRO
CC(C)N1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)C1=O	ZINC001075658489	810907899	/nfs/dbraw/zinc/90/78/99/810907899.db2.gz	FJXCWPUWQBKYTD-USXIJHARSA-N	1	0	355.442	1.042	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc5nonc5c4)C[C@H]32)c1	ZINC001075658627	810908435	/nfs/dbraw/zinc/90/84/35/810908435.db2.gz	LEZQUWLGXZPPAY-KBXCAEBGSA-N	1	0	362.393	1.769	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1	ZINC000424685247	815413721	/nfs/dbraw/zinc/41/37/21/815413721.db2.gz	OUOYHCGACUKOSR-UHFFFAOYSA-N	1	0	359.474	1.564	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCOC[C@@H]2CCCO2)C[C@H]1C(F)(F)F	ZINC001112126210	811108728	/nfs/dbraw/zinc/10/87/28/811108728.db2.gz	DPTRSKGXJOPSKW-BFHYXJOUSA-N	1	0	350.381	1.737	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCOC[C@@H]2CCCO2)C[C@H]1C(F)(F)F	ZINC001112126506	811135638	/nfs/dbraw/zinc/13/56/38/811135638.db2.gz	UQTFPHQHKUUSSC-RRFJBIMHSA-N	1	0	362.392	1.574	20	30		FDEDRO
C#CCN(C(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000729334508	811153692	/nfs/dbraw/zinc/15/36/92/811153692.db2.gz	REXIAIZUYQTJGK-SFHVURJKSA-N	1	0	360.479	1.545	20	30		FDEDRO
C=CCCn1cc(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)nc2)nn1	ZINC000424773204	815435621	/nfs/dbraw/zinc/43/56/21/815435621.db2.gz	PROUARKLNAITNM-UHFFFAOYSA-N	1	0	356.430	1.975	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N1CC[C@@H](Oc2ccccn2)C1	ZINC000261940083	811348396	/nfs/dbraw/zinc/34/83/96/811348396.db2.gz	DIUVGKBLKJFWDU-JKSUJKDBSA-N	1	0	369.473	1.273	20	30		FDEDRO
C[NH+]=C(NCC1(C(=O)N(C)C)CCCC1)N1CC[C@H](C)[C@@H](n2ccnc2)C1	ZINC000261946102	811349867	/nfs/dbraw/zinc/34/98/67/811349867.db2.gz	FZOVZHPENSMMNH-IRXDYDNUSA-N	1	0	374.533	1.990	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C(F)(F)F	ZINC001112128290	811360341	/nfs/dbraw/zinc/36/03/41/811360341.db2.gz	BKSWWMIOAWZYDR-YNEHKIRRSA-N	1	0	368.421	1.366	20	30		FDEDRO
CN(C)C(=O)CNC(=[NH+]C1CCOCC1)N1CC[C@@H](c2ccccc2)C1	ZINC000262279482	811431520	/nfs/dbraw/zinc/43/15/20/811431520.db2.gz	ISYJLQURPINHJO-QGZVFWFLSA-N	1	0	358.486	1.689	20	30		FDEDRO
CN(C)C(=O)CNC(=[NH+]C1CCCCC1)N1CC[C@H](c2cnn(C)c2)C1	ZINC000262346457	811446671	/nfs/dbraw/zinc/44/66/71/811446671.db2.gz	XYYNBUCOFLREDP-HNNXBMFYSA-N	1	0	360.506	1.576	20	30		FDEDRO
Cc1ccnc(OC2CCN(C(NCC(=O)N(C)C)=[NH+]C(C)C)CC2)c1	ZINC000262345439	811446729	/nfs/dbraw/zinc/44/67/29/811446729.db2.gz	XTCFKFSAVSIBPT-UHFFFAOYSA-N	1	0	361.490	1.675	20	30		FDEDRO
C[NH+]=C(N[C@H]1C[C@H]1Cc1ccccc1)N1CCN(c2ncccn2)CC1	ZINC000262422047	811464239	/nfs/dbraw/zinc/46/42/39/811464239.db2.gz	RAXBRLBYZLZFEZ-MSOLQXFVSA-N	1	0	350.470	1.805	20	30		FDEDRO
CO[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)c1ccc(Cl)cc1	ZINC000262550180	811490801	/nfs/dbraw/zinc/49/08/01/811490801.db2.gz	XRWYCJVMTCYYHN-MRXNPFEDSA-N	1	0	374.876	1.954	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3C3CCC3)C2)CC1	ZINC000982866394	811750171	/nfs/dbraw/zinc/75/01/71/811750171.db2.gz	OHWSOYPRNPNDTQ-FFZOFVMBSA-N	1	0	371.525	1.733	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(N3CCC3=O)c2)CC1	ZINC000280461016	811830052	/nfs/dbraw/zinc/83/00/52/811830052.db2.gz	MFOSGGOLXVEVSF-UHFFFAOYSA-N	1	0	356.426	1.128	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1	ZINC000419467549	811978245	/nfs/dbraw/zinc/97/82/45/811978245.db2.gz	SLMVZOGPGCFWLV-GOSISDBHSA-N	1	0	370.453	1.044	20	30		FDEDRO
N#CC1(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CCC1	ZINC000419623401	812045945	/nfs/dbraw/zinc/04/59/45/812045945.db2.gz	IJKADTNWFJUPGS-ROUUACIJSA-N	1	0	356.470	1.862	20	30		FDEDRO
C[NH2+][C@H]1CCN(C(=O)C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1	ZINC000419640857	812067567	/nfs/dbraw/zinc/06/75/67/812067567.db2.gz	MMNVEGZNEMZWOC-SFHVURJKSA-N	1	0	362.433	1.662	20	30		FDEDRO
C=C(C)[C@@H](NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)c1ccc(F)c(F)c1	ZINC000419673457	812084859	/nfs/dbraw/zinc/08/48/59/812084859.db2.gz	HKQGBTSUPSYJJL-CZUORRHYSA-N	1	0	367.396	1.274	20	30		FDEDRO
C=CCN(C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1)C1CC1	ZINC000419869452	812265928	/nfs/dbraw/zinc/26/59/28/812265928.db2.gz	BNEKIJGFKOAPRJ-ZWKOTPCHSA-N	1	0	357.454	1.434	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)[C@@H]1CCC[NH2+]C1	ZINC000419882688	812274301	/nfs/dbraw/zinc/27/43/01/812274301.db2.gz	IOYKYBLOXQPTHQ-WZGPROSRSA-N	1	0	368.481	1.789	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1	ZINC000419882645	812275003	/nfs/dbraw/zinc/27/50/03/812275003.db2.gz	INVHLUIULZUGTD-DOTOQJQBSA-N	1	0	359.470	1.714	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCCC(C)(C)[C@@H]2C#N)CC1=O	ZINC000434445168	815566364	/nfs/dbraw/zinc/56/63/64/815566364.db2.gz	HLJQSRZLSZMNKJ-BBWFWOEESA-N	1	0	360.502	1.860	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1	ZINC000419995649	813391619	/nfs/dbraw/zinc/39/16/19/813391619.db2.gz	ICJPQOMEAFLEFC-KRWDZBQOSA-N	1	0	372.469	1.039	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+]	ZINC000420026227	813400369	/nfs/dbraw/zinc/40/03/69/813400369.db2.gz	ZXEIZCJLUGFKAT-WBVHZDCISA-N	1	0	374.441	1.743	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+]	ZINC000420035463	813404436	/nfs/dbraw/zinc/40/44/36/813404436.db2.gz	IFDFEZVMDKRUHG-TVFCKZIOSA-N	1	0	354.454	1.528	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1	ZINC000420057069	813411391	/nfs/dbraw/zinc/41/13/91/813411391.db2.gz	BWDAXRHTYCZDRT-SFHVURJKSA-N	1	0	359.470	1.844	20	30		FDEDRO
CN1CC[N@H+](CCCNC(=O)c2ccc(C#N)[nH]2)[C@@H](c2ccccc2)C1	ZINC000501805091	813665797	/nfs/dbraw/zinc/66/57/97/813665797.db2.gz	RZSXWNLWAPLPAC-LJQANCHMSA-N	1	0	351.454	1.995	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CC[NH2+][C@H](C(N)=O)c1ccc(F)cc1	ZINC001104174251	813709798	/nfs/dbraw/zinc/70/97/98/813709798.db2.gz	KZJLHWXVNBNZAJ-ZTQAJYAQSA-N	1	0	371.456	1.840	20	30		FDEDRO
N#Cc1cncc(NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)n1	ZINC000420592414	813748181	/nfs/dbraw/zinc/74/81/81/813748181.db2.gz	ASSPBOHRKAAYLA-MRXNPFEDSA-N	1	0	350.426	1.658	20	30		FDEDRO
CCc1nc(CN2C[C@@H]3C[NH+](CCOc4ccc(C#N)cc4)C[C@H]3C2)no1	ZINC000366699865	813821279	/nfs/dbraw/zinc/82/12/79/813821279.db2.gz	WDKHRKRBVHGNNK-IRXDYDNUSA-N	1	0	367.453	1.946	20	30		FDEDRO
COc1ccc([C@H]2CC[NH2+]C[C@H]2NS(=O)(=O)c2ccc(C#N)cc2)cc1	ZINC000366941280	814144992	/nfs/dbraw/zinc/14/49/92/814144992.db2.gz	PPSIMYCVEBEARF-RTBURBONSA-N	1	0	371.462	1.991	20	30		FDEDRO
C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)CC[C@@H]1N1CC[NH+](C)CC1	ZINC000367030672	814258448	/nfs/dbraw/zinc/25/84/48/814258448.db2.gz	ROSTWVFPHCZCOI-XLIONFOSSA-N	1	0	369.513	1.845	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cnc4ccc(C#N)cn34)C2=O)cc1	ZINC000367041008	814265551	/nfs/dbraw/zinc/26/55/51/814265551.db2.gz	PZMNGAJYHYLPGU-IBGZPJMESA-N	1	0	370.416	1.968	20	30		FDEDRO
COCC[N@H+](C)CCNC(=O)c1cnn(CCC#N)c1-c1ccccc1	ZINC000430050868	814342390	/nfs/dbraw/zinc/34/23/90/814342390.db2.gz	KHAWWWWGNNDLLC-UHFFFAOYSA-N	1	0	355.442	1.772	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCC1([NH+](C)C)CCCC1	ZINC000272520859	814737708	/nfs/dbraw/zinc/73/77/08/814737708.db2.gz	JWVWYTFUKIWGFW-AWEZNQCLSA-N	1	0	358.442	1.907	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](Nc2ncnc3c2CN(C)CC3)C1	ZINC001059092752	814780501	/nfs/dbraw/zinc/78/05/01/814780501.db2.gz	CVPZQXGCTWEPOS-DAYGRLMNSA-N	1	0	371.485	1.459	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)s1	ZINC001028698140	814802054	/nfs/dbraw/zinc/80/20/54/814802054.db2.gz	AIQHKCYJODBTSI-LTUQZUHASA-N	1	0	357.479	1.981	20	30		FDEDRO
C=C(C)CN(C)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC	ZINC000422512303	814825688	/nfs/dbraw/zinc/82/56/88/814825688.db2.gz	FBUBFYRIRJVYJX-RTBURBONSA-N	1	0	373.497	1.674	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3CN(Cc4cc(CO)ccc4F)C[C@H]32)c[nH]1	ZINC001075709929	815776041	/nfs/dbraw/zinc/77/60/41/815776041.db2.gz	UELOFZWJLMTEGA-IFXJQAMLSA-N	1	0	368.412	1.864	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000514919018	816033132	/nfs/dbraw/zinc/03/31/32/816033132.db2.gz	UJMGHXJUNHWPKA-MANSERQUSA-N	1	0	359.470	1.512	20	30		FDEDRO
Cc1oc(C#N)cc1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000435684897	816136592	/nfs/dbraw/zinc/13/65/92/816136592.db2.gz	WTUCAKLULPKDDC-UHFFFAOYSA-N	1	0	368.441	1.582	20	30		FDEDRO
COc1ccccc1CCNC(=O)C[NH2+]Cc1cnc2ccc(C#N)cn12	ZINC000435728484	816154688	/nfs/dbraw/zinc/15/46/88/816154688.db2.gz	MNSBBLGEIRAUJB-UHFFFAOYSA-N	1	0	363.421	1.663	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCc2cnn(CC)c2)C1	ZINC001028861279	816293422	/nfs/dbraw/zinc/29/34/22/816293422.db2.gz	PFQGWUJABVENLX-WDSOQIARSA-N	1	0	360.502	1.865	20	30		FDEDRO
C=C(Cl)CSc1nc(C)c(CC(=O)NCC[N@H+](C)CCO)s1	ZINC000925005964	816414055	/nfs/dbraw/zinc/41/40/55/816414055.db2.gz	SICFHUQKDCHICS-UHFFFAOYSA-N	1	0	363.936	1.879	20	30		FDEDRO
N#CCC1CCN(C(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1	ZINC000515812834	816461382	/nfs/dbraw/zinc/46/13/82/816461382.db2.gz	LBTHFBJVZIUXLM-UHFFFAOYSA-N	1	0	358.486	1.408	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1	ZINC000515838465	816468591	/nfs/dbraw/zinc/46/85/91/816468591.db2.gz	XSIAZYUBWFUNPW-SFHVURJKSA-N	1	0	369.469	1.933	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)[N@H+](C)CCCN1C(=O)c2ccccc2C1=O	ZINC000425536205	816474701	/nfs/dbraw/zinc/47/47/01/816474701.db2.gz	GVQZPVBTEQRXKQ-CQSZACIVSA-N	1	0	356.426	1.365	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](c3nnc[nH]3)C2)c(OC)c1	ZINC000425539199	816501995	/nfs/dbraw/zinc/50/19/95/816501995.db2.gz	CMDJBYATSQKERW-JKSUJKDBSA-N	1	0	358.442	1.771	20	30		FDEDRO
C[NH+]=C(NCc1nnc(-c2ccc(OC)cc2)[nH]1)N1CC[C@]2(CCOC2)C1	ZINC000261935111	816506605	/nfs/dbraw/zinc/50/66/05/816506605.db2.gz	CGVCZTHNPSJXPB-IBGZPJMESA-N	1	0	370.457	1.668	20	30		FDEDRO
C[N@H+](CCCN1C(=O)c2ccccc2C1=O)CC(=O)NC1(C#N)CCC1	ZINC000425550176	816521499	/nfs/dbraw/zinc/52/14/99/816521499.db2.gz	MODYNVGBMFYOOP-UHFFFAOYSA-N	1	0	354.410	1.167	20	30		FDEDRO
Cc1nnc(C[NH+]=C(NCc2cccs2)N2CC[C@@]3(CCOC3)C2)n1C	ZINC000261938914	816860870	/nfs/dbraw/zinc/86/08/70/816860870.db2.gz	DCLXLRLGICDFJD-GOSISDBHSA-N	1	0	374.514	1.943	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccoc4Cl)[C@@H]3C2)C1=O	ZINC001075736469	816974787	/nfs/dbraw/zinc/97/47/87/816974787.db2.gz	POECVVOZCJEENJ-NWANDNLSSA-N	1	0	363.845	1.866	20	30		FDEDRO
N#Cc1c(NCCCC[NH+]2CCN(CCO)CC2)cccc1-n1cccn1	ZINC000516980832	817146956	/nfs/dbraw/zinc/14/69/56/817146956.db2.gz	DQDLHPVMGVKLOO-UHFFFAOYSA-N	1	0	368.485	1.546	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)N1CCc2ccccc2C1	ZINC000425889649	817310972	/nfs/dbraw/zinc/31/09/72/817310972.db2.gz	VDWCDTWVTWDRGI-AYBZRNKSSA-N	1	0	371.481	1.257	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000425909037	817357549	/nfs/dbraw/zinc/35/75/49/817357549.db2.gz	LTFDEUPGDLNKAB-WDSOQIARSA-N	1	0	371.481	1.427	20	30		FDEDRO
C=CC[N@@H+](CCN1C(=O)CCC1=O)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000517529887	817479070	/nfs/dbraw/zinc/47/90/70/817479070.db2.gz	KECRPOUUFANGPW-CQSZACIVSA-N	1	0	354.414	1.360	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NCC2CC[NH2+]CC2)ccc1OC(F)(F)F	ZINC000517714155	817553286	/nfs/dbraw/zinc/55/32/86/817553286.db2.gz	XSMTUOKSMNEVAC-UHFFFAOYSA-N	1	0	370.331	1.511	20	30		FDEDRO
C[N@@H+]1CC[C@H](C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1	ZINC000518358517	817852513	/nfs/dbraw/zinc/85/25/13/817852513.db2.gz	SJSPCVNCTQPXPZ-ZDUSSCGKSA-N	1	0	370.432	1.466	20	30		FDEDRO
C[NH+]=C(NCc1cccnc1N1CCN(C)CC1)N(C)Cc1cccn1C	ZINC000261976765	817884798	/nfs/dbraw/zinc/88/47/98/817884798.db2.gz	NWXLEVLKSZENBJ-UHFFFAOYSA-N	1	0	369.517	1.379	20	30		FDEDRO
CC[NH+]=C(NCc1ccnc(-n2cccn2)c1)N1CC[C@@]2(CCOC2)C1	ZINC000261987744	817919148	/nfs/dbraw/zinc/91/91/48/817919148.db2.gz	QMNHCASSSSQZJZ-LJQANCHMSA-N	1	0	354.458	1.845	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1	ZINC000518727527	817972624	/nfs/dbraw/zinc/97/26/24/817972624.db2.gz	UDNCDSYJHBVERV-CXAGYDPISA-N	1	0	373.432	1.809	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000518727529	817972683	/nfs/dbraw/zinc/97/26/83/817972683.db2.gz	UDNCDSYJHBVERV-GUYCJALGSA-N	1	0	373.432	1.809	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)CSC)CC1	ZINC000983583006	818038588	/nfs/dbraw/zinc/03/85/88/818038588.db2.gz	GTIRDZSQGMEKOB-WBVHZDCISA-N	1	0	365.543	1.438	20	30		FDEDRO
CN(C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H]1CCC[N@H+](C)C1	ZINC000894424358	818039429	/nfs/dbraw/zinc/03/94/29/818039429.db2.gz	YVVMEDFSJCLAIF-ROUUACIJSA-N	1	0	369.469	1.395	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)[C@H]2CCNC2=O)C1	ZINC001087471113	818043639	/nfs/dbraw/zinc/04/36/39/818043639.db2.gz	NWVIROWGGDBTJP-FHWLQOOXSA-N	1	0	371.481	1.682	20	30		FDEDRO
COC(=O)[C@@H]1[C@H](C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1(F)F	ZINC000894430689	818046118	/nfs/dbraw/zinc/04/61/18/818046118.db2.gz	IVEAMNZZOUKDKO-KKUMJFAQSA-N	1	0	363.364	1.698	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1	ZINC001087473449	818214996	/nfs/dbraw/zinc/21/49/96/818214996.db2.gz	FJSCQZGWMBTSKH-OTWHNJEPSA-N	1	0	371.481	1.824	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2cn[nH]n2)C1	ZINC001087474851	818292507	/nfs/dbraw/zinc/29/25/07/818292507.db2.gz	BZGCOKXCLYTQGD-WMZOPIPTSA-N	1	0	355.442	1.977	20	30		FDEDRO
C#CCOc1cccc(NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000108517726	818445484	/nfs/dbraw/zinc/44/54/84/818445484.db2.gz	KSMUXSLAZAAVTC-OAHLLOKOSA-N	1	0	358.442	1.408	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@@H](C)[NH2+]Cc2cn(C)nn2)CC1	ZINC001029157185	818954370	/nfs/dbraw/zinc/95/43/70/818954370.db2.gz	YGLFJXBKRQPVHQ-JLSDUUJJSA-N	1	0	361.490	1.513	20	30		FDEDRO
COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000519903280	819120159	/nfs/dbraw/zinc/12/01/59/819120159.db2.gz	QRORMGKEKGSIIK-QAPCUYQASA-N	1	0	372.469	1.038	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC2CCC(C#N)CC2)CC1	ZINC000441028316	819203025	/nfs/dbraw/zinc/20/30/25/819203025.db2.gz	INMQDIIQILXXGK-UHFFFAOYSA-N	1	0	363.506	1.558	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1	ZINC000520273196	819278131	/nfs/dbraw/zinc/27/81/31/819278131.db2.gz	LNVIWRFTXSVCQS-INIZCTEOSA-N	1	0	373.505	1.306	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)CC4(O)CCC4)[C@@H]3C2)cc1	ZINC001075776483	819380027	/nfs/dbraw/zinc/38/00/27/819380027.db2.gz	QMGCUQWSOSYGBK-PKOBYXMFSA-N	1	0	369.465	1.927	20	30		FDEDRO
C=C[C@@H](CO)NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2	ZINC000458880992	819480899	/nfs/dbraw/zinc/48/08/99/819480899.db2.gz	KWUAYJYHHIWKOS-OALUTQOASA-N	1	0	373.497	1.761	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)C1	ZINC000328762131	819546030	/nfs/dbraw/zinc/54/60/30/819546030.db2.gz	YOKRFJQKPLWPET-DLBZAZTESA-N	1	0	374.485	1.654	20	30		FDEDRO
C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1	ZINC000328819075	819554151	/nfs/dbraw/zinc/55/41/51/819554151.db2.gz	PLEGJMYTUDXCMH-SJORKVTESA-N	1	0	365.522	1.013	20	30		FDEDRO
CC(=O)N1CC[C@@H](NC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)C1	ZINC000328890652	819578813	/nfs/dbraw/zinc/57/88/13/819578813.db2.gz	RVOPLKCMDCMAMJ-QGZVFWFLSA-N	1	0	374.485	1.784	20	30		FDEDRO
CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)CC1	ZINC000328969806	819602007	/nfs/dbraw/zinc/60/20/07/819602007.db2.gz	AXRWYDSIWQUWQU-SJORKVTESA-N	1	0	365.522	1.961	20	30		FDEDRO
C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O	ZINC000328988728	819606006	/nfs/dbraw/zinc/60/60/06/819606006.db2.gz	UVFVXDQIBFUXQV-DEWZPKMOSA-N	1	0	367.490	1.204	20	30		FDEDRO
COC[C@@H]1C[C@@H](OC)CN1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000328991594	819606706	/nfs/dbraw/zinc/60/67/06/819606706.db2.gz	FPOOXECWOLPHHT-MLHJIOFPSA-N	1	0	369.506	1.404	20	30		FDEDRO
Cc1cc(N2CCC(NC(=O)[C@@H](C)C[NH+]3CCOCC3)CC2)nc(C)n1	ZINC000328996848	819607687	/nfs/dbraw/zinc/60/76/87/819607687.db2.gz	GROADSBWDDCKOO-AWEZNQCLSA-N	1	0	361.490	1.987	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+]([C@H]3CCN(c4ccccc4)C3=O)C[C@H]21	ZINC001075780583	819625164	/nfs/dbraw/zinc/62/51/64/819625164.db2.gz	PEZCRJMALLRIMM-YSIASYRMSA-N	1	0	363.461	1.738	20	30		FDEDRO
Cc1ccc(N2CCC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NCC(C)C)C2)nn1	ZINC000330717385	819636546	/nfs/dbraw/zinc/63/65/46/819636546.db2.gz	VDPPAVZYIMTWFW-GJZGRUSLSA-N	1	0	362.478	1.418	20	30		FDEDRO
CCOC(=O)Cn1cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c(-c2cnn(C)c2)n1	ZINC000895053452	819659457	/nfs/dbraw/zinc/65/94/57/819659457.db2.gz	KAMDDEBDOZQNAE-XJKSGUPXSA-N	1	0	356.430	1.629	20	30		FDEDRO
CCN(C)C(=O)[C@H](C)NC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1	ZINC000330990982	819659961	/nfs/dbraw/zinc/65/99/61/819659961.db2.gz	AUOGUNRLJVKLQT-INIZCTEOSA-N	1	0	367.538	1.117	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(CC(=O)NC(=O)NC(C)(C)C)CC2)CC1	ZINC000331315955	819675450	/nfs/dbraw/zinc/67/54/50/819675450.db2.gz	XYWWRWDALQBPJZ-UHFFFAOYSA-N	1	0	367.538	1.306	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H](c2nccc(C(F)(F)F)n2)C1	ZINC000895057120	819707271	/nfs/dbraw/zinc/70/72/71/819707271.db2.gz	RVOOSTKYZFGULZ-CYBMUJFWSA-N	1	0	369.391	1.949	20	30		FDEDRO
C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NCc2ccc(C#N)c(F)c2)CC1	ZINC000459101856	819985053	/nfs/dbraw/zinc/98/50/53/819985053.db2.gz	ACBGBQPNFJVIOV-AWEZNQCLSA-N	1	0	362.449	1.932	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCC3(F)F)C[C@@H]2O)[nH]1	ZINC001083413149	819996730	/nfs/dbraw/zinc/99/67/30/819996730.db2.gz	BKCSOJLYIVTOBM-DFBGVHRSSA-N	1	0	352.385	1.487	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2	ZINC000937480909	820048218	/nfs/dbraw/zinc/04/82/18/820048218.db2.gz	MQJMUIUFJGRLCW-BBWFWOEESA-N	1	0	361.486	1.171	20	30		FDEDRO
C=CCn1cc(C(=O)NC2CC[NH+](Cc3cccc(OC)c3)CC2)nn1	ZINC000843773920	820099988	/nfs/dbraw/zinc/09/99/88/820099988.db2.gz	XNVCKEWJSFMKLH-UHFFFAOYSA-N	1	0	355.442	1.867	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1	ZINC001101314839	820390153	/nfs/dbraw/zinc/39/01/53/820390153.db2.gz	OFDLMCFNDZTBTJ-NEWSRXKRSA-N	1	0	354.491	1.004	20	30		FDEDRO
C=CCn1cc(CNC(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)nn1	ZINC000665182435	820546609	/nfs/dbraw/zinc/54/66/09/820546609.db2.gz	LKLQJDBGPIMUNF-SFHVURJKSA-N	1	0	370.457	1.030	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087529217	820603015	/nfs/dbraw/zinc/60/30/15/820603015.db2.gz	VPZZWQJMTQPBHC-OTWHNJEPSA-N	1	0	356.470	1.358	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)CC1	ZINC000520991216	821035220	/nfs/dbraw/zinc/03/52/20/821035220.db2.gz	PPDOLHJPMXOUFC-UHFFFAOYSA-N	1	0	351.410	1.060	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC#Cc2ccccc2)CC1	ZINC000520979935	821036338	/nfs/dbraw/zinc/03/63/38/821036338.db2.gz	YDMRRPVRROAAAJ-UHFFFAOYSA-N	1	0	356.470	1.280	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3nn(C)cc3C)[C@H]2CC)C1=O	ZINC001087569113	821537111	/nfs/dbraw/zinc/53/71/11/821537111.db2.gz	DJGVBUHOPUMICU-ARFHVFGLSA-N	1	0	359.474	1.098	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)[C@H]1CC	ZINC001087591919	821632829	/nfs/dbraw/zinc/63/28/29/821632829.db2.gz	USCQCVJAFRVLGI-YESZJQIVSA-N	1	0	351.491	1.417	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cn[nH]c(=O)c2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087613976	821749515	/nfs/dbraw/zinc/74/95/15/821749515.db2.gz	UBHMHFZYDACQLQ-DLBZAZTESA-N	1	0	351.410	1.837	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2COCCN2CC)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087633237	821842783	/nfs/dbraw/zinc/84/27/83/821842783.db2.gz	SGWJJGZESDEAFI-XUVXKRRUSA-N	1	0	370.497	1.748	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)Cc2cn(CC)nn2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087668251	821968371	/nfs/dbraw/zinc/96/83/71/821968371.db2.gz	LHZXKHAWMJCJBW-RBUKOAKNSA-N	1	0	366.469	1.881	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000984251789	821976612	/nfs/dbraw/zinc/97/66/12/821976612.db2.gz	GCWSYNZTWMDJNU-SLFFLAALSA-N	1	0	371.525	1.827	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2C)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087697699	822094891	/nfs/dbraw/zinc/09/48/91/822094891.db2.gz	NDXWRHWGFJBPFV-RCCFBDPRSA-N	1	0	354.454	1.648	20	30		FDEDRO
C[C@H](Nc1c(C#N)cnc2c(F)c(F)c(F)cc21)[C@H]1C[N@H+](C)CCN1C	ZINC000895245950	822233547	/nfs/dbraw/zinc/23/35/47/822233547.db2.gz	KFPJLQJBQLTGQU-IINYFYTJSA-N	1	0	363.387	1.992	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cnccc3C)[C@@H]2CC)nn1	ZINC001087754091	822368609	/nfs/dbraw/zinc/36/86/09/822368609.db2.gz	NSGCXPNSBJFZTK-FUHWJXTLSA-N	1	0	354.458	1.950	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](CC[C@@H]3CCOC3)[C@@H]2CC)nn1	ZINC001087756491	822379802	/nfs/dbraw/zinc/37/98/02/822379802.db2.gz	UBNQWLOINLKECH-SOLBZPMBSA-N	1	0	361.490	1.864	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cn(CC)nn2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087778249	822421091	/nfs/dbraw/zinc/42/10/91/822421091.db2.gz	NPEFXQCYGOJDPN-FUHWJXTLSA-N	1	0	352.442	1.953	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3ccncc3)[C@H]2CC)CC1	ZINC000984432849	822527675	/nfs/dbraw/zinc/52/76/75/822527675.db2.gz	HYNWHCMHCUEZTC-RBUKOAKNSA-N	1	0	368.481	1.536	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)Cn2ccnc2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001087847347	822582509	/nfs/dbraw/zinc/58/25/09/822582509.db2.gz	IFXIJPWSCRATEP-RBUKOAKNSA-N	1	0	367.453	1.955	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccncc4)C[C@@H]3C2)C1=O	ZINC001087864370	822637267	/nfs/dbraw/zinc/63/72/67/822637267.db2.gz	CRHHQKVCKUTDDM-FGTMMUONSA-N	1	0	354.454	1.262	20	30		FDEDRO
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1	ZINC000895598454	822663981	/nfs/dbraw/zinc/66/39/81/822663981.db2.gz	FLVFSQGQUCTGDP-RTBURBONSA-N	1	0	372.444	1.255	20	30		FDEDRO
COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cn[nH]c4)C[C@@H]3C2)cc1C#N	ZINC001087896295	822751338	/nfs/dbraw/zinc/75/13/38/822751338.db2.gz	XREIVOFVBVSADQ-QAPCUYQASA-N	1	0	365.437	1.884	20	30		FDEDRO
C#CCSCC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1	ZINC000895828905	822762109	/nfs/dbraw/zinc/76/21/09/822762109.db2.gz	KMRZZTXQEBRIHV-UHFFFAOYSA-N	1	0	353.532	1.295	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)CC(F)(F)F)C[C@@H]3C2)C1=O	ZINC001087902280	822776027	/nfs/dbraw/zinc/77/60/27/822776027.db2.gz	UIKHRVPSKCJQQW-RDBSUJKOSA-N	1	0	359.392	1.506	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccc(C#N)c2)C1	ZINC001029840135	828483486	/nfs/dbraw/zinc/48/34/86/828483486.db2.gz	RMBXVLFLXYWBRV-OTWHNJEPSA-N	1	0	368.481	1.563	20	30		FDEDRO
C[N@@H+](Cc1ccccc1C#N)C[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC001029841060	828491838	/nfs/dbraw/zinc/49/18/38/828491838.db2.gz	JDXKIFBNIROOTA-ZACQAIPSSA-N	1	0	368.481	1.740	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCC(=O)N4)C[C@@H]3C2)cc1	ZINC001087909960	823760053	/nfs/dbraw/zinc/76/00/53/823760053.db2.gz	FYUKIGDQHNCWMH-FGTMMUONSA-N	1	0	352.438	1.117	20	30		FDEDRO
C#CCNS(=O)(=O)N1CC[NH+]([C@@H](C)CCc2cccc(F)c2)CC1	ZINC000895915547	823766281	/nfs/dbraw/zinc/76/62/81/823766281.db2.gz	BKNFHSHNDIXPPB-HNNXBMFYSA-N	1	0	353.463	1.232	20	30		FDEDRO
Cc1c(C(=O)N2C[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)CC[C@@H]3C2)nnn1C	ZINC001087918507	823893015	/nfs/dbraw/zinc/89/30/15/823893015.db2.gz	ZIIPANFKUVHDOU-MSOLQXFVSA-N	1	0	364.453	1.589	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ocnc4C)C[C@@H]3C2)C1=O	ZINC001087922509	823918624	/nfs/dbraw/zinc/91/86/24/823918624.db2.gz	NMQUYZNQDDHQCI-PMPSAXMXSA-N	1	0	358.442	1.164	20	30		FDEDRO
COc1ccnc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]3C2)c1	ZINC001087925686	823938848	/nfs/dbraw/zinc/93/88/48/823938848.db2.gz	ZTIDDOAQMVIDRO-CVEARBPZSA-N	1	0	365.437	1.884	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)CCc4nnc[nH]4)C[C@@H]3C2)c1	ZINC001087926052	823939381	/nfs/dbraw/zinc/93/93/81/823939381.db2.gz	QRTGKTZLKJAFLP-MSOLQXFVSA-N	1	0	364.453	1.589	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCNC(=O)C3)C[C@@H]2C1	ZINC001087933017	823984960	/nfs/dbraw/zinc/98/49/60/823984960.db2.gz	WRDSGYJWQZEHBV-LZQZEXGQSA-N	1	0	366.465	1.365	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2cncc(OC)n2)C1	ZINC001029845366	828604987	/nfs/dbraw/zinc/60/49/87/828604987.db2.gz	FLKUPLQCVLCTSZ-OIISXLGYSA-N	1	0	360.458	1.357	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cn([C@H](C)COC)nc3C)C[C@@H]2C1	ZINC001087966753	824247072	/nfs/dbraw/zinc/24/70/72/824247072.db2.gz	TVQRUAJAZRSGCQ-NXHRZFHOSA-N	1	0	358.486	1.816	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccnn3C)CC[C@@H]2C1	ZINC001087970459	824310431	/nfs/dbraw/zinc/31/04/31/824310431.db2.gz	YHYCJBBVDXFTJD-JFRXWTBNSA-N	1	0	358.486	1.682	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3nnn(C(C)(C)C)n3)C[C@@H]2C1	ZINC001087978018	824327502	/nfs/dbraw/zinc/32/75/02/824327502.db2.gz	HLSASTZUSAVQPM-CVEARBPZSA-N	1	0	360.506	1.717	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C(=O)O1	ZINC000896329343	824335791	/nfs/dbraw/zinc/33/57/91/824335791.db2.gz	OKOKTDHRQYIWRB-PBHICJAKSA-N	1	0	356.426	1.480	20	30		FDEDRO
C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3cnn(C)c3C#N)cc2)C[C@H](C)O1	ZINC000474773890	824410968	/nfs/dbraw/zinc/41/09/68/824410968.db2.gz	JPUGCJPWNYUSLR-GASCZTMLSA-N	1	0	367.453	1.831	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)[C@H]2CC)cn1	ZINC000984695328	824501218	/nfs/dbraw/zinc/50/12/18/824501218.db2.gz	GIRVAVIVCKARQT-KSZLIROESA-N	1	0	354.454	1.266	20	30		FDEDRO
C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H](c2n[nH]cc2CN2CCOCC2)C1	ZINC000329011588	824533695	/nfs/dbraw/zinc/53/36/95/824533695.db2.gz	ZYUBZQHLTGLGKI-HUUCEWRRSA-N	1	0	361.490	1.929	20	30		FDEDRO
Cc1noc([C@H]2CN(C(=O)NC3CC[NH+](CC(C)C)CC3)CCN2C)n1	ZINC000329014950	824534123	/nfs/dbraw/zinc/53/41/23/824534123.db2.gz	FXNIQZYSLHRXBE-MRXNPFEDSA-N	1	0	364.494	1.701	20	30		FDEDRO
CN1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1c1nc(C2CC2)no1	ZINC000329041391	824543179	/nfs/dbraw/zinc/54/31/79/824543179.db2.gz	IFEUMQBYUKCQQU-UKRRQHHQSA-N	1	0	360.462	1.386	20	30		FDEDRO
Cc1nc(Cn2nnc(NC(=O)N(C)C[C@H]3CCC[N@H+](C)C3)c2C)no1	ZINC000329074884	824559409	/nfs/dbraw/zinc/55/94/09/824559409.db2.gz	BPBIPTCKJKTKRX-ZDUSSCGKSA-N	1	0	362.438	1.145	20	30		FDEDRO
C[C@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)[C@H]1C[N@H+](C)CCN1C	ZINC000896552008	824568807	/nfs/dbraw/zinc/56/88/07/824568807.db2.gz	IPLRZZWDKHFWQE-MAUKXSAKSA-N	1	0	371.485	1.418	20	30		FDEDRO
Cc1noc([C@@H]2CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)C2)n1	ZINC000329099225	824582621	/nfs/dbraw/zinc/58/26/21/824582621.db2.gz	ZBAUIMAYUIVDPK-BMFZPTHFSA-N	1	0	363.462	1.459	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)CC1	ZINC000329153137	824632387	/nfs/dbraw/zinc/63/23/87/824632387.db2.gz	BOQHCEURXDJSEL-OTWHNJEPSA-N	1	0	361.534	1.237	20	30		FDEDRO
Cc1noc([C@H](NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)C2CCOCC2)n1	ZINC000329158195	824634001	/nfs/dbraw/zinc/63/40/01/824634001.db2.gz	CSRCVECUKSYHLU-NUEKZKHPSA-N	1	0	363.462	1.786	20	30		FDEDRO
CC1CC[NH+](CCNC(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1	ZINC000329186088	824652748	/nfs/dbraw/zinc/65/27/48/824652748.db2.gz	APGRYKJAATXYGY-QGZVFWFLSA-N	1	0	365.522	1.902	20	30		FDEDRO
CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCC(Cn3cc(C)cn3)CC2)C1	ZINC000329192879	824660794	/nfs/dbraw/zinc/66/07/94/824660794.db2.gz	SZUNAYNEXRFQES-GOSISDBHSA-N	1	0	361.490	1.871	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCNC(=O)CC1	ZINC001029481033	824673854	/nfs/dbraw/zinc/67/38/54/824673854.db2.gz	WRVPUHTTZYSRLE-SFFUCWETSA-N	1	0	361.486	1.169	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)C[N@@H+]1CCC[C@@H]1C	ZINC000984742523	824677686	/nfs/dbraw/zinc/67/76/86/824677686.db2.gz	JOCMFIANESREOM-JLJPHGGASA-N	1	0	357.458	1.480	20	30		FDEDRO
COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C	ZINC000329236827	824687678	/nfs/dbraw/zinc/68/76/78/824687678.db2.gz	OORDLWDWZOCNOV-ZNMIVQPWSA-N	1	0	362.478	1.732	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@H]2c2cccnc2)CC1	ZINC000329244259	824692888	/nfs/dbraw/zinc/69/28/88/824692888.db2.gz	UITJJNKZHKZMQS-RBUKOAKNSA-N	1	0	355.486	1.911	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCOC[C@@H]2[C@H]2CCCO2)CC1	ZINC000329243362	824692920	/nfs/dbraw/zinc/69/29/20/824692920.db2.gz	SVVYZAUFOVEVTE-KZNAEPCWSA-N	1	0	368.522	1.054	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H](c3ccnn3C)C2)CC1	ZINC000329274377	824708786	/nfs/dbraw/zinc/70/87/86/824708786.db2.gz	ILIQSCRPKQWWKW-PKOBYXMFSA-N	1	0	372.517	1.292	20	30		FDEDRO
CN1C[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4C#N)CC[C@@H]3C2)CC1=O	ZINC001087985939	824709190	/nfs/dbraw/zinc/70/91/90/824709190.db2.gz	MOLUJTXCKUXKON-QRVBRYPASA-N	1	0	366.465	1.317	20	30		FDEDRO
O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCOC[C@@H]1[C@@H]1CCCO1	ZINC000329295895	824720517	/nfs/dbraw/zinc/72/05/17/824720517.db2.gz	SQSURBSRTBSLAT-JQHSSLGASA-N	1	0	367.490	1.281	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(OC)nn2)C1	ZINC001029847544	828685611	/nfs/dbraw/zinc/68/56/11/828685611.db2.gz	UZKDOVWVPJHYDL-OIISXLGYSA-N	1	0	360.458	1.357	20	30		FDEDRO
CN1C(=O)NC2(CCN(C(=O)NCC3([NH+](C)C)CCCCC3)CC2)C1=O	ZINC000329349625	824749071	/nfs/dbraw/zinc/74/90/71/824749071.db2.gz	DBZLKKLKAODYQC-UHFFFAOYSA-N	1	0	365.478	1.386	20	30		FDEDRO
CCO[C@H](CNC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1)C[NH+](C)C	ZINC000896683731	824788621	/nfs/dbraw/zinc/78/86/21/824788621.db2.gz	VJMYZNFLINOPBI-QZTJIDSGSA-N	1	0	360.458	1.608	20	30		FDEDRO
CN1C(=O)N[C@@]2(CCN(C(=O)NCC3([NH+](C)C)CCCCCC3)C2)C1=O	ZINC000329491935	824835648	/nfs/dbraw/zinc/83/56/48/824835648.db2.gz	VUEDJSXKFBAERF-GOSISDBHSA-N	1	0	365.478	1.386	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)N2CCOCC3(CCC3)C2)CC1	ZINC000329497718	824837337	/nfs/dbraw/zinc/83/73/37/824837337.db2.gz	GNACYIOHHNWWCW-UHFFFAOYSA-N	1	0	373.501	1.750	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]34)cn2)CC1	ZINC000329527416	824853762	/nfs/dbraw/zinc/85/37/62/824853762.db2.gz	SADJWVXAFFHUJD-YQVWRLOYSA-N	1	0	374.485	1.732	20	30		FDEDRO
C[NH+]1CCC2(CCCN2C(=O)NC[C@@H]2CCn3ncc(C(N)=O)c3C2)CC1	ZINC000329527300	824853842	/nfs/dbraw/zinc/85/38/42/824853842.db2.gz	UFNDCUHLKMROQU-CQSZACIVSA-N	1	0	374.489	1.803	20	30		FDEDRO
C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)CN1CCN(C)C(=O)C1	ZINC000329543765	824868186	/nfs/dbraw/zinc/86/81/86/824868186.db2.gz	FPKSATBOYGTPSR-IAGOWNOFSA-N	1	0	372.513	1.874	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)CC[C@@H]1CCC[N@@H+]1C	ZINC000984777952	824876106	/nfs/dbraw/zinc/87/61/06/824876106.db2.gz	BEOPHORVNJHDBM-XYJFISCASA-N	1	0	371.485	1.870	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC([N@H+](C)Cc2ccccc2C#N)CC1	ZINC000985648313	828721499	/nfs/dbraw/zinc/72/14/99/828721499.db2.gz	UKSSYRSNUTXQGG-MOPGFXCFSA-N	1	0	368.481	1.705	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC000984872092	825193704	/nfs/dbraw/zinc/19/37/04/825193704.db2.gz	XNGMUMSHJFEGLP-KSZLIROESA-N	1	0	371.485	1.868	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C[C@@H]2C1	ZINC001088013213	825259399	/nfs/dbraw/zinc/25/93/99/825259399.db2.gz	VMDPIDXSQYXYPQ-BARDWOONSA-N	1	0	360.376	1.136	20	30		FDEDRO
O=C([C@H]1CCC(=O)NC1)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001088022505	825352963	/nfs/dbraw/zinc/35/29/63/825352963.db2.gz	NCADQVBBGXBFSV-ZCNNSNEGSA-N	1	0	365.477	1.345	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC000984922139	825451727	/nfs/dbraw/zinc/45/17/27/825451727.db2.gz	WYGDNBUDBNDVNO-XYJFISCASA-N	1	0	369.469	1.337	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(OCC(N)=O)cc3)C[C@@H]2C1	ZINC001088033540	825452325	/nfs/dbraw/zinc/45/23/25/825452325.db2.gz	PGYKRYYMDNUOJJ-SJORKVTESA-N	1	0	357.454	1.521	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCN(C(C)C)C2=O)C1	ZINC000984918610	825458338	/nfs/dbraw/zinc/45/83/38/825458338.db2.gz	ASTYRGYZVQAYKH-TXTZMMAHSA-N	1	0	363.502	1.461	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCC2CCN(C([O-])=[NH+]CCn3cncn3)CC2)C[C@H](C)O1	ZINC000329872689	825517401	/nfs/dbraw/zinc/51/74/01/825517401.db2.gz	DHDYHEJNNRQCMT-IYBDPMFKSA-N	1	0	364.494	1.403	20	30		FDEDRO
C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H]1C[C@H](F)CN1c1cccnn1	ZINC000329903456	825535709	/nfs/dbraw/zinc/53/57/09/825535709.db2.gz	IJGPULLHGLWYGT-PMPSAXMXSA-N	1	0	364.469	1.771	20	30		FDEDRO
CC[NH+]1CCN(c2cccc(NC(=O)N3C[C@@H]4OCCN(C)[C@H]4C3)c2)CC1	ZINC000329925832	825546056	/nfs/dbraw/zinc/54/60/56/825546056.db2.gz	KCZLQNYHRSGCPV-OALUTQOASA-N	1	0	373.501	1.389	20	30		FDEDRO
CC(C)[C@H](CNC(=O)N1CCO[C@]2(CCO[C@@H]2C)C1)[NH+]1CCN(C)CC1	ZINC000329929861	825548416	/nfs/dbraw/zinc/54/84/16/825548416.db2.gz	ZDEGHMZNCKTQSG-ZIFCJYIRSA-N	1	0	368.522	1.052	20	30		FDEDRO
COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1	ZINC000329982621	825577364	/nfs/dbraw/zinc/57/73/64/825577364.db2.gz	OZLMYIYLEGLXJO-GJZGRUSLSA-N	1	0	362.478	1.734	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC000984947259	825621906	/nfs/dbraw/zinc/62/19/06/825621906.db2.gz	WZGBSNRADXUNRC-JJAZEVLHSA-N	1	0	357.458	1.336	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)c2cn([C@@H]3CCOC3)nn2)Cc2ccccc2C1	ZINC000330118823	825651408	/nfs/dbraw/zinc/65/14/08/825651408.db2.gz	ZBKAFEFYVBWIAT-MRXNPFEDSA-N	1	0	355.442	1.643	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CSc3ccccc32)CC1	ZINC000330120391	825653942	/nfs/dbraw/zinc/65/39/42/825653942.db2.gz	GIQSYMGADXBKCF-JKSUJKDBSA-N	1	0	374.510	1.986	20	30		FDEDRO
CC[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C1CCOCC1	ZINC000330155375	825687783	/nfs/dbraw/zinc/68/77/83/825687783.db2.gz	YGLCQMFLXBKRDC-DLBZAZTESA-N	1	0	366.506	1.344	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+]([C@H]4CCN(C)C4=O)CC[C@@H]3C2)cc1	ZINC001088062035	825752290	/nfs/dbraw/zinc/75/22/90/825752290.db2.gz	KENXVPCPASEVQI-QYZOEREBSA-N	1	0	351.450	1.293	20	30		FDEDRO
CN1CCN(C(=O)C2CCN(C(=O)NC[C@H]3CCC(F)(F)C3)CC2)CC1	ZINC000330255624	825768337	/nfs/dbraw/zinc/76/83/37/825768337.db2.gz	BIPQKIIHYGAALP-AWEZNQCLSA-N	1	0	372.460	1.822	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(n4cnnn4)CCCCC3)C[C@@H]2C1	ZINC001088063957	825775441	/nfs/dbraw/zinc/77/54/41/825775441.db2.gz	DVTRQRPWHWBEKY-SJORKVTESA-N	1	0	356.474	1.136	20	30		FDEDRO
Cn1ccnc1N1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1	ZINC000330298681	825826799	/nfs/dbraw/zinc/82/67/99/825826799.db2.gz	LUZAVZBPTQDCGK-QGZVFWFLSA-N	1	0	361.490	1.989	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)C1=O	ZINC000281231192	825918655	/nfs/dbraw/zinc/91/86/55/825918655.db2.gz	PBRHXPHIFLLIMG-MRXNPFEDSA-N	1	0	358.438	1.840	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCC[C@@H](c2ncc[nH]2)C1	ZINC000330331995	825938226	/nfs/dbraw/zinc/93/82/26/825938226.db2.gz	XSKPFSOWMSSUSZ-OIISXLGYSA-N	1	0	361.490	1.881	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3cc(C)n[nH]3)[C@@H]2CC)CC1	ZINC000984988525	826002186	/nfs/dbraw/zinc/00/21/86/826002186.db2.gz	INFSOMKWRADLQH-FUHWJXTLSA-N	1	0	371.485	1.173	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC3(F)F)[C@@H]2CC)CC1	ZINC000984989316	826005633	/nfs/dbraw/zinc/00/56/33/826005633.db2.gz	OLPZQTVDGSLYRM-HRCADAONSA-N	1	0	367.440	1.483	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)C=C3CCC3)[C@@H]2CC)CC1	ZINC000984990023	826017214	/nfs/dbraw/zinc/01/72/14/826017214.db2.gz	XDZQKKGELASOPC-RBUKOAKNSA-N	1	0	357.498	1.938	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H](C)SC)[C@@H]2CC)CC1	ZINC000984990385	826023347	/nfs/dbraw/zinc/02/33/47/826023347.db2.gz	ARNKQAQTHLLUQH-BHYGNILZSA-N	1	0	365.543	1.579	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H](F)C(C)C)[C@@H]2CC)CC1	ZINC000984990461	826024299	/nfs/dbraw/zinc/02/42/99/826024299.db2.gz	BSWHQULQQUPILT-KSZLIROESA-N	1	0	365.493	1.821	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3ccc[nH]3)[C@@H]2CC)CC1	ZINC000984992809	826041153	/nfs/dbraw/zinc/04/11/53/826041153.db2.gz	RIAOZYWEDQLHLY-FUHWJXTLSA-N	1	0	356.470	1.469	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)C(C)C	ZINC000281569011	826056734	/nfs/dbraw/zinc/05/67/34/826056734.db2.gz	PPSSKEPHVJGVAM-GOSISDBHSA-N	1	0	356.470	1.147	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)[C@H]2CC)c1	ZINC000985087282	826309406	/nfs/dbraw/zinc/30/94/06/826309406.db2.gz	UFRKIJOAOMZDBP-OTWHNJEPSA-N	1	0	368.481	1.657	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(S(C)(=O)=O)o3)C[C@@H]2C1	ZINC001088126164	826515676	/nfs/dbraw/zinc/51/56/76/826515676.db2.gz	RUQNPXZEXSDHGW-KGLIPLIRSA-N	1	0	352.456	1.653	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(N4CCOCC4)CCCC3)C[C@@H]2C1	ZINC001088126729	826531795	/nfs/dbraw/zinc/53/17/95/826531795.db2.gz	UATVGLSSZUWHAS-MOPGFXCFSA-N	1	0	361.530	1.988	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](CC4CC(F)(F)C4)CC[C@@H]3C2)nn1	ZINC001088133735	826575662	/nfs/dbraw/zinc/57/56/62/826575662.db2.gz	XVOHMLPFJAIBKY-CABCVRRESA-N	1	0	365.428	1.903	20	30		FDEDRO
O=C(C[C@@H]1CCC(=O)N1)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001088137788	826619030	/nfs/dbraw/zinc/61/90/30/826619030.db2.gz	DCYMIIGBJDXPJE-AABGKKOBSA-N	1	0	365.477	1.487	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)C1	ZINC000866904980	826625256	/nfs/dbraw/zinc/62/52/56/826625256.db2.gz	LAYJYDDXMBFJCA-MRXNPFEDSA-N	1	0	369.462	1.819	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3NC(=O)c4ccccc43)C[C@@H]2C1	ZINC001088147129	826738187	/nfs/dbraw/zinc/73/81/87/826738187.db2.gz	LEWFFDMSHWECHZ-JTDSTZFVSA-N	1	0	351.450	1.665	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3cnco3)[C@H]2CC)CC1	ZINC000985184505	826767032	/nfs/dbraw/zinc/76/70/32/826767032.db2.gz	HMCUWYMBGZJKSX-JKSUJKDBSA-N	1	0	358.442	1.129	20	30		FDEDRO
CC(=O)N1CCC[C@@H](CNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)C1	ZINC000262437954	826791425	/nfs/dbraw/zinc/79/14/25/826791425.db2.gz	GVWQCLLJKTZNMW-INIZCTEOSA-N	1	0	361.465	1.521	20	30		FDEDRO
Cc1cc(C#N)ccc1C[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2)CC1	ZINC000186168651	826891703	/nfs/dbraw/zinc/89/17/03/826891703.db2.gz	ZMAYDTDNAPXQEX-UHFFFAOYSA-N	1	0	370.478	1.836	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2CC)cn1	ZINC000985210585	826934689	/nfs/dbraw/zinc/93/46/89/826934689.db2.gz	BCYBIFXJVZZUNL-AYOQOUSVSA-N	1	0	368.481	1.514	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Cn4cccn4)on3)C[C@@H]2C1	ZINC001088165135	826943582	/nfs/dbraw/zinc/94/35/82/826943582.db2.gz	PVWRBLHLRXIQEU-CVEARBPZSA-N	1	0	353.426	1.337	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC000985236128	826980844	/nfs/dbraw/zinc/98/08/44/826980844.db2.gz	NJBZUXYZJILXGE-DLBZAZTESA-N	1	0	371.485	1.870	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cc(Br)c3nccn3c2)CC1	ZINC000928660247	827155299	/nfs/dbraw/zinc/15/52/99/827155299.db2.gz	MTLRYUAAPMMSHI-UHFFFAOYSA-N	1	0	361.243	1.924	20	30		FDEDRO
COCCOCc1cc(C#N)ccc1N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000897220480	827169497	/nfs/dbraw/zinc/16/94/97/827169497.db2.gz	WRLWTGKOSNOCKU-VQTJNVASSA-N	1	0	359.470	1.757	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4ocnc4C)CC[C@@H]3C2)nc1	ZINC001088174109	827254714	/nfs/dbraw/zinc/25/47/14/827254714.db2.gz	HXHFMICMUQRPNI-SJORKVTESA-N	1	0	350.422	1.953	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cccc(CC)n4)[C@@H]3C2)C1=O	ZINC001075890022	833194158	/nfs/dbraw/zinc/19/41/58/833194158.db2.gz	JTTUYDPIRMDWHD-ZYSHUDEJSA-N	1	0	368.481	1.577	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C)CC1	ZINC000987532796	833200449	/nfs/dbraw/zinc/20/04/49/833200449.db2.gz	OMRVUHDEHYUODT-PBHICJAKSA-N	1	0	371.485	1.726	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCc4sccc4C3)C[C@@H]2C1	ZINC001088211264	827490003	/nfs/dbraw/zinc/49/00/03/827490003.db2.gz	ZLIDRTRFNHUIEO-AEFFLSMTSA-N	1	0	357.523	1.910	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3CCCO[C@H]3C=C)CC2)C1	ZINC001088233924	827597305	/nfs/dbraw/zinc/59/73/05/827597305.db2.gz	DAQZKKWZHYMPDH-ZCNNSNEGSA-N	1	0	360.498	1.930	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1	ZINC001088234794	827599296	/nfs/dbraw/zinc/59/92/96/827599296.db2.gz	BSEBAKMWSHQOQL-WDSOQIARSA-N	1	0	366.502	1.696	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)C1	ZINC001088235266	827604955	/nfs/dbraw/zinc/60/49/55/827604955.db2.gz	NMBXCGXUVYURCD-ZGXWSNOMSA-N	1	0	360.498	1.764	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1	ZINC001088235484	827607203	/nfs/dbraw/zinc/60/72/03/827607203.db2.gz	SSLKAGYFMQQHSW-YQPXSLGVSA-N	1	0	372.509	1.763	20	30		FDEDRO
Cn1ncc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)c1C#N	ZINC000475472754	827749482	/nfs/dbraw/zinc/74/94/82/827749482.db2.gz	WSSHYTSANNKWKZ-CQSZACIVSA-N	1	0	366.425	1.241	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC([N@H+](C)Cc3ccccc3C#N)CC2)C1	ZINC000985438305	827832691	/nfs/dbraw/zinc/83/26/91/827832691.db2.gz	SIHYAEHKUTYEKE-DNVCBOLYSA-N	1	0	368.481	1.896	20	30		FDEDRO
C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)[C@@H]2C1	ZINC001075855098	827932249	/nfs/dbraw/zinc/93/22/49/827932249.db2.gz	CJXAPUDTFLSBMO-SOUVJXGZSA-N	1	0	353.894	1.919	20	30		FDEDRO
C=CCn1c(CC2CC2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000508508804	828198494	/nfs/dbraw/zinc/19/84/94/828198494.db2.gz	XTSKQLZSYDGDEZ-UHFFFAOYSA-N	1	0	358.490	1.161	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](CO)[C@@H]2CCCO2)cc1	ZINC000447917127	828935621	/nfs/dbraw/zinc/93/56/21/828935621.db2.gz	WUTBARNKOKLOSZ-MSOLQXFVSA-N	1	0	361.442	1.461	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C(=O)NCc2ccccc2)CC1	ZINC000527050493	828942656	/nfs/dbraw/zinc/94/26/56/828942656.db2.gz	QNHLGWMMYBMUHS-MRXNPFEDSA-N	1	0	368.481	1.966	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3nccnc3cc2F)c1C#N	ZINC000527184290	828988439	/nfs/dbraw/zinc/98/84/39/828988439.db2.gz	AQYZCWOTKJAYPU-UHFFFAOYSA-N	1	0	353.361	1.768	20	30		FDEDRO
CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2ccc(C#N)cc2OC)CC1	ZINC000527360324	829043594	/nfs/dbraw/zinc/04/35/94/829043594.db2.gz	CCBLTCVYLGBVKP-UHFFFAOYSA-N	1	0	358.442	1.838	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2OCC[C@@H]2c2ccccc2)C1=O	ZINC001168095726	829126454	/nfs/dbraw/zinc/12/64/54/829126454.db2.gz	XXEGETZAPYAPID-CEXWTWQISA-N	1	0	371.481	1.442	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CCNC(=O)NC(C)(C)C	ZINC001168101065	829226201	/nfs/dbraw/zinc/22/62/01/829226201.db2.gz	KGIUHHMBSJOETA-GJZGRUSLSA-N	1	0	354.495	1.161	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1	ZINC001088381819	829332003	/nfs/dbraw/zinc/33/20/03/829332003.db2.gz	NLRFNCWRAIRRAW-HRCADAONSA-N	1	0	371.909	1.736	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)CN1CCC[N@H+](C[C@@H]2CCCO2)CC1	ZINC000528349509	829362908	/nfs/dbraw/zinc/36/29/08/829362908.db2.gz	IPJFUMHSCCVRHZ-OALUTQOASA-N	1	0	359.470	1.485	20	30		FDEDRO
Cc1c(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cnn1CCC#N	ZINC000897356270	829422644	/nfs/dbraw/zinc/42/26/44/829422644.db2.gz	QIFONXMVKKWJBS-SFHVURJKSA-N	1	0	367.453	1.602	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1	ZINC000449240260	829430760	/nfs/dbraw/zinc/43/07/60/829430760.db2.gz	MPWXAGGVALOBMS-MRXNPFEDSA-N	1	0	355.442	1.867	20	30		FDEDRO
Cc1cnc(OC2CC[NH+](C[C@H](O)COc3ccccc3C#N)CC2)nc1	ZINC000528538207	829440452	/nfs/dbraw/zinc/44/04/52/829440452.db2.gz	KDROOJSBWPCCLL-KRWDZBQOSA-N	1	0	368.437	1.940	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CCn2cncn2)C1	ZINC001088396527	829455883	/nfs/dbraw/zinc/45/58/83/829455883.db2.gz	JVVVXDBRVDYDET-BZSNNMDCSA-N	1	0	361.490	1.620	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)Nc1cccc(F)c1	ZINC001168109579	829529906	/nfs/dbraw/zinc/52/99/06/829529906.db2.gz	BVGPCGZBDOVSFB-WMZOPIPTSA-N	1	0	363.433	1.841	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N(C)Cc1ccco1	ZINC001168110207	829550614	/nfs/dbraw/zinc/55/06/14/829550614.db2.gz	QNFVSGPENMQHDG-WMZOPIPTSA-N	1	0	363.458	1.315	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2cc(OC)no2)C1	ZINC001029864425	829594542	/nfs/dbraw/zinc/59/45/42/829594542.db2.gz	NBYCJPRFCDSOAG-HFTRVMKXSA-N	1	0	363.458	1.945	20	30		FDEDRO
Cn1c(C#N)ccc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000450180737	829846140	/nfs/dbraw/zinc/84/61/40/829846140.db2.gz	LMWQYCLNBXSSSF-AEFFLSMTSA-N	1	0	352.438	1.510	20	30		FDEDRO
CC1CC(C#N)(C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)C1	ZINC000531557301	830790444	/nfs/dbraw/zinc/79/04/44/830790444.db2.gz	GGXKDNBNSQEOEZ-UHFFFAOYSA-N	1	0	362.518	1.869	20	30		FDEDRO
C=CCn1c(CCC(C)C)nnc1N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1	ZINC000453455660	830936592	/nfs/dbraw/zinc/93/65/92/830936592.db2.gz	XPVJMBZFAYRFSN-QGZVFWFLSA-N	1	0	374.533	1.843	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2cccc(CC#N)c2)C[C@H](C)O1	ZINC000453595166	830951863	/nfs/dbraw/zinc/95/18/63/830951863.db2.gz	VJVMFDZECBVVMV-GASCZTMLSA-N	1	0	358.442	1.307	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)ccc1C#N	ZINC000453584590	830958012	/nfs/dbraw/zinc/95/80/12/830958012.db2.gz	WMNPFJKPHSBETR-MRXNPFEDSA-N	1	0	351.410	1.619	20	30		FDEDRO
Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2ccc(C#N)c(C)n2)o1	ZINC000453707940	831033185	/nfs/dbraw/zinc/03/31/85/831033185.db2.gz	KGUISUXDZMGGCL-UHFFFAOYSA-N	1	0	369.425	1.692	20	30		FDEDRO
C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)C[C@@H](C)C1	ZINC000453762946	831075920	/nfs/dbraw/zinc/07/59/20/831075920.db2.gz	MXMBOAMOJVZTFE-RLFYNMQTSA-N	1	0	354.454	1.880	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1	ZINC000986131915	831076734	/nfs/dbraw/zinc/07/67/34/831076734.db2.gz	VFWGJOJJQWARIB-MSOLQXFVSA-N	1	0	370.497	1.690	20	30		FDEDRO
C[NH+]=C(NCC[C@@H]1CCC[C@@H](C)C1)N1CCN(c2nccn(C)c2=O)CC1	ZINC000262790263	831453214	/nfs/dbraw/zinc/45/32/14/831453214.db2.gz	NYWMLZVUNVWCRU-SJORKVTESA-N	1	0	374.533	1.694	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](CCNC(=O)CC[N@@H+](C)CC)C1	ZINC001059724981	831840201	/nfs/dbraw/zinc/84/02/01/831840201.db2.gz	FETMMFJACNWHMR-LNLFQRSKSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](CCNC(=O)CCC[NH+](C)C)C1	ZINC001059725529	831846891	/nfs/dbraw/zinc/84/68/91/831846891.db2.gz	SBXMDDRQTJRBKG-LNLFQRSKSA-N	1	0	365.518	1.664	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1	ZINC000986684879	832194551	/nfs/dbraw/zinc/19/45/51/832194551.db2.gz	HUZVVHVYHXHXTC-UXLLHSPISA-N	1	0	369.469	1.291	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1Cc1cc2n(n1)CCCC2	ZINC001088511567	832323802	/nfs/dbraw/zinc/32/38/02/832323802.db2.gz	SWCXWZLNUAGPCT-DYVFJYSZSA-N	1	0	352.442	1.812	20	30		FDEDRO
CNC(=O)c1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C)cc1	ZINC001088513259	832329464	/nfs/dbraw/zinc/32/94/64/832329464.db2.gz	JYZIIMHUAQVQFE-DYVFJYSZSA-N	1	0	365.437	1.639	20	30		FDEDRO
COc1cccc([C@H](O)C[N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C)c1	ZINC001088529533	832460735	/nfs/dbraw/zinc/46/07/35/832460735.db2.gz	AQOCSIMHJBJIFK-XVGQJIODSA-N	1	0	368.437	1.821	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CCCCC[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1	ZINC000987093860	832556895	/nfs/dbraw/zinc/55/68/95/832556895.db2.gz	AINAFNWJFNATQE-BRWVUGGUSA-N	1	0	365.518	1.805	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]1C	ZINC000987621082	833499485	/nfs/dbraw/zinc/49/94/85/833499485.db2.gz	SOTRLIBWJAFWEL-KMFMINBZSA-N	1	0	357.458	1.478	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)c1ccc2c[nH+]cn2c1	ZINC000987646178	833511318	/nfs/dbraw/zinc/51/13/18/833511318.db2.gz	CMSOUCMGILKPOZ-PXAZEXFGSA-N	1	0	362.393	1.567	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)c1ccn2c[nH+]cc2c1	ZINC000987649905	833517060	/nfs/dbraw/zinc/51/70/60/833517060.db2.gz	SLNLXWVPXGSCIN-PXAZEXFGSA-N	1	0	362.393	1.567	20	30		FDEDRO
C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@@H]1C)[NH+]1CCCCCC1	ZINC000987952128	833837055	/nfs/dbraw/zinc/83/70/55/833837055.db2.gz	MBXBTXSDPBOXHZ-VKJFTORMSA-N	1	0	371.485	1.870	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@@H]1C	ZINC000987977186	833856562	/nfs/dbraw/zinc/85/65/62/833856562.db2.gz	SIJKJYWFRKRRQX-XOKHGSTOSA-N	1	0	357.458	1.478	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCCCCC[NH+]2CCCCC2)n(CCC#N)n1	ZINC000532606577	834722194	/nfs/dbraw/zinc/72/21/94/834722194.db2.gz	BJAIPZRFVBYKON-UHFFFAOYSA-N	1	0	374.489	1.816	20	30		FDEDRO
C=C(Br)CN1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C	ZINC001088571810	834849589	/nfs/dbraw/zinc/84/95/89/834849589.db2.gz	OGEQWMYFNITYKI-YUELXQCFSA-N	1	0	356.308	1.816	20	30		FDEDRO
N#Cc1ccc(-c2noc([C@]34C[NH2+]C[C@H]3CN(c3ccccc3)C4)n2)nc1	ZINC001211920640	834892305	/nfs/dbraw/zinc/89/23/05/834892305.db2.gz	YELWTGIIEYVBLW-YWZLYKJASA-N	1	0	358.405	1.981	20	30		FDEDRO
C[C@H]1CN(Cc2c(C#N)cccc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000459373773	835189957	/nfs/dbraw/zinc/18/99/57/835189957.db2.gz	NCPXEUXYGCYPJN-YJBOKZPZSA-N	1	0	357.458	1.924	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@H](OCC)[C@H]2n2cccn2)CC1	ZINC000454471392	835515685	/nfs/dbraw/zinc/51/56/85/835515685.db2.gz	YECNKDQGOPLJCY-SQNIBIBYSA-N	1	0	361.490	1.941	20	30		FDEDRO
CCN1C[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)CC1=O	ZINC001088602710	835960179	/nfs/dbraw/zinc/96/01/79/835960179.db2.gz	PAUCXGZIEOQDNN-JLSDUUJJSA-N	1	0	354.454	1.506	20	30		FDEDRO
CCN1C[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)CC1=O	ZINC001088602711	835960385	/nfs/dbraw/zinc/96/03/85/835960385.db2.gz	PAUCXGZIEOQDNN-OLMNPRSZSA-N	1	0	354.454	1.506	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1OC	ZINC001211992532	835976517	/nfs/dbraw/zinc/97/65/17/835976517.db2.gz	QVWHGTARXFTREC-ATZDWAIDSA-N	1	0	357.454	1.855	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2oc(C)nc2C)C[C@H]1OC	ZINC001211994936	836030535	/nfs/dbraw/zinc/03/05/35/836030535.db2.gz	PAROYHDKJMTMGJ-YSVLISHTSA-N	1	0	351.447	1.588	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](CCCOc2ccccc2C)C[C@H]1OC	ZINC001212035743	836329843	/nfs/dbraw/zinc/32/98/43/836329843.db2.gz	ABASHYIUBBGSRH-IEBWSBKVSA-N	1	0	362.470	1.782	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1	ZINC000938033741	837062574	/nfs/dbraw/zinc/06/25/74/837062574.db2.gz	MLCJYHFXUWMBAI-VVLHAWIVSA-N	1	0	351.491	1.271	20	30		FDEDRO
CN(C)C(NCc1ccccc1)=[NH+]C[C@H]1CCn2ncc(C(N)=O)c2C1	ZINC000261918992	837357659	/nfs/dbraw/zinc/35/76/59/837357659.db2.gz	IMTDLXHIJDUUPR-HNNXBMFYSA-N	1	0	354.458	1.252	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC000989024426	838141599	/nfs/dbraw/zinc/14/15/99/838141599.db2.gz	NXDMXMYWXLPWMU-HIFRSBDPSA-N	1	0	355.442	1.234	20	30		FDEDRO
C#CCCN1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1	ZINC000272055589	838428333	/nfs/dbraw/zinc/42/83/33/838428333.db2.gz	VORQVBNBFNTWMR-UHFFFAOYSA-N	1	0	368.525	1.540	20	30		FDEDRO
C#CCNC(=O)c1ccc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)nc1	ZINC000273186645	838443952	/nfs/dbraw/zinc/44/39/52/838443952.db2.gz	MHRPURXUADCBNO-IBGZPJMESA-N	1	0	364.449	1.623	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]2C)cn1	ZINC000989160231	838530387	/nfs/dbraw/zinc/53/03/87/838530387.db2.gz	IRIVBUOARQCPTQ-RCJHGTSTSA-N	1	0	368.481	1.512	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C)cn1	ZINC000989168333	838566496	/nfs/dbraw/zinc/56/64/96/838566496.db2.gz	SOYNUFFNJGOPKG-AYOQOUSVSA-N	1	0	368.481	1.655	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CC#CC)C3)[C@H]2C(C)C)nc1	ZINC001105670019	844346515	/nfs/dbraw/zinc/34/65/15/844346515.db2.gz	WYTIJMPUBBOGHB-VMBXEPDQSA-N	1	0	365.477	1.666	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCc2scnc2C)[C@@H]1C	ZINC001088631378	838604114	/nfs/dbraw/zinc/60/41/14/838604114.db2.gz	IELPYWRJADYULY-IKGGRYGDSA-N	1	0	360.527	1.671	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC2(CC1)OCCc1ccccc12	ZINC000459537679	838802789	/nfs/dbraw/zinc/80/27/89/838802789.db2.gz	ZNGMWEVUDAHRAW-OAHLLOKOSA-N	1	0	357.454	1.951	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3ccnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105670254	844368589	/nfs/dbraw/zinc/36/85/89/844368589.db2.gz	YSDFRDUHZYKFLC-LFGUQSLTSA-N	1	0	358.486	1.181	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CCCO)C3)[C@@H]2C(C)C)nc1	ZINC001105670355	844382715	/nfs/dbraw/zinc/38/27/15/844382715.db2.gz	ZNPFFFVZJMHIKE-BNDYYXHWSA-N	1	0	371.481	1.025	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N(C)CC[NH+]1CCCC1	ZINC000459976442	839167652	/nfs/dbraw/zinc/16/76/52/839167652.db2.gz	RHAYIRUQISLWFM-UHFFFAOYSA-N	1	0	356.470	1.851	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1	ZINC000459981585	839174009	/nfs/dbraw/zinc/17/40/09/839174009.db2.gz	BLTPRJIEICYVAV-UHFFFAOYSA-N	1	0	373.497	1.506	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N(C)CC[NH+]1CCCC1	ZINC000460031979	839237157	/nfs/dbraw/zinc/23/71/57/839237157.db2.gz	NGKSJRNBSCNHNC-UHFFFAOYSA-N	1	0	359.470	1.764	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCCc1ccc(Cl)cc1)C1CC[NH+](C)CC1	ZINC000929127555	839337606	/nfs/dbraw/zinc/33/76/06/839337606.db2.gz	ZJYVGNMEBWICJU-UHFFFAOYSA-N	1	0	361.873	1.555	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN(c3ncc(C#N)cc3F)C2)CC[N@@H+]1C	ZINC001059968579	839529963	/nfs/dbraw/zinc/52/99/63/839529963.db2.gz	JTPXYCXKYFASGQ-IJEWVQPXSA-N	1	0	359.449	1.765	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@H]3CCC3(C)C)[C@H]2C)CC1	ZINC000989351000	839583858	/nfs/dbraw/zinc/58/38/58/839583858.db2.gz	JQJVRIUJWARMKO-NXHRZFHOSA-N	1	0	359.514	1.873	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)c1C#N	ZINC000760306751	839778474	/nfs/dbraw/zinc/77/84/74/839778474.db2.gz	LKZPPMIRARGHOB-JTQLQIEISA-N	1	0	350.423	1.285	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)c1C#N	ZINC000760308940	839780727	/nfs/dbraw/zinc/78/07/27/839780727.db2.gz	WYHLCTCZUWLOLJ-UHFFFAOYSA-N	1	0	364.450	1.675	20	30		FDEDRO
CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCC1	ZINC001105560836	839971643	/nfs/dbraw/zinc/97/16/43/839971643.db2.gz	CZPGVVUIDSIMHL-GVDBMIGSSA-N	1	0	361.486	1.184	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105585420	839994670	/nfs/dbraw/zinc/99/46/70/839994670.db2.gz	PCZKZIUZVYBOOJ-SMOSDQRPSA-N	1	0	363.502	1.055	20	30		FDEDRO
COCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC#Cc3ccccc3)C2)[C@H]1C(C)C	ZINC001105579042	839997465	/nfs/dbraw/zinc/99/74/65/839997465.db2.gz	KGOKMCNDAORQFJ-UGESXGAOSA-N	1	0	370.493	1.651	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105587253	840025036	/nfs/dbraw/zinc/02/50/36/840025036.db2.gz	DVBXGTKHRCBREX-LFGUQSLTSA-N	1	0	350.503	1.648	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccccc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105588666	840086548	/nfs/dbraw/zinc/08/65/48/840086548.db2.gz	ZLQJDFXKVSTQGU-NXLVEIQXSA-N	1	0	370.493	1.916	20	30		FDEDRO
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1cnc2ccc(C#N)cn12	ZINC000897650064	840170686	/nfs/dbraw/zinc/17/06/86/840170686.db2.gz	NJLDMCOILNFRJC-HZPDHXFCSA-N	1	0	371.441	1.930	20	30		FDEDRO
C#C[C@@H](NC(=O)NCC[NH2+]CCOC)c1ccc(Br)cc1	ZINC000841967745	840265827	/nfs/dbraw/zinc/26/58/27/840265827.db2.gz	HKIXOCKEIQAUPX-CQSZACIVSA-N	1	0	354.248	1.659	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105593816	840308624	/nfs/dbraw/zinc/30/86/24/840308624.db2.gz	GSEOGAQNQXVIGI-FPAYPSAMSA-N	1	0	354.491	1.192	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105594747	840580510	/nfs/dbraw/zinc/58/05/10/840580510.db2.gz	WLBPGJUMLXJNAM-LFGUQSLTSA-N	1	0	360.502	1.815	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)c1	ZINC000842033593	840778718	/nfs/dbraw/zinc/77/87/18/840778718.db2.gz	YMJVNMUUSHQAKA-MOPGFXCFSA-N	1	0	353.466	1.665	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105600092	840983551	/nfs/dbraw/zinc/98/35/51/840983551.db2.gz	ALOJBSZDRHUHPV-SOAMZJECSA-N	1	0	356.470	1.388	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)nn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105600985	841028390	/nfs/dbraw/zinc/02/83/90/841028390.db2.gz	QHYBLHMHMGCRSW-UIXUWTQFSA-N	1	0	360.502	1.884	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105601354	841030664	/nfs/dbraw/zinc/03/06/64/841030664.db2.gz	WVXXBCOIWZSVHW-FTEYMNFISA-N	1	0	356.470	1.388	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCC(=O)NCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105606139	841203801	/nfs/dbraw/zinc/20/38/01/841203801.db2.gz	AJKAXEQQHXLALO-XNFNUYLZSA-N	1	0	365.518	1.445	20	30		FDEDRO
C=CCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnns3)C2)[C@@H]1C(C)C	ZINC001105606391	841205400	/nfs/dbraw/zinc/20/54/00/841205400.db2.gz	CJTDGTOSCUGJCX-LMSBXDPUSA-N	1	0	364.515	1.970	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CNC(=O)CCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105606556	841214370	/nfs/dbraw/zinc/21/43/70/841214370.db2.gz	FAKCAKBNYWYSAE-XNFNUYLZSA-N	1	0	365.518	1.445	20	30		FDEDRO
C=CCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NCC)C2)[C@H]1C(C)C	ZINC001105607153	841222345	/nfs/dbraw/zinc/22/23/45/841222345.db2.gz	MIDHLPKPZKBQSM-RGCFKVTRSA-N	1	0	351.491	1.055	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CNC(=O)CCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105607861	841236824	/nfs/dbraw/zinc/23/68/24/841236824.db2.gz	ZDPVWLCXYDEWFR-YAJHFMINSA-N	1	0	365.518	1.445	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C)CC1	ZINC000989667465	841318959	/nfs/dbraw/zinc/31/89/59/841318959.db2.gz	HJWMPZWLAHPOFC-KDOFPFPSSA-N	1	0	371.485	1.726	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1C	ZINC001105787666	863181058	/nfs/dbraw/zinc/18/10/58/863181058.db2.gz	UHRFTFMMMZCZQP-BXUZGUMPSA-N	1	0	354.248	1.526	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C)c1	ZINC000989801737	841472201	/nfs/dbraw/zinc/47/22/01/841472201.db2.gz	WXMLNCGAUILTAT-BEFAXECRSA-N	1	0	368.481	1.514	20	30		FDEDRO
CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#Cc2ccccc2)C1	ZINC001112246513	841551163	/nfs/dbraw/zinc/55/11/63/841551163.db2.gz	DZJMBXJEKWRBRG-XJABCFGWSA-N	1	0	367.493	1.781	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccncc3F)[C@@H]2C(C)C)C[C@H]1O	ZINC001105610059	841562796	/nfs/dbraw/zinc/56/27/96/841562796.db2.gz	GVPFRKSQMMODKV-MLYOOKFZSA-N	1	0	359.445	1.824	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@H]1C	ZINC000990002800	841786651	/nfs/dbraw/zinc/78/66/51/841786651.db2.gz	VRPQWCDFUUFHMS-QKLQHJQFSA-N	1	0	367.493	1.658	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105611240	841839575	/nfs/dbraw/zinc/83/95/75/841839575.db2.gz	PCUAWWXPOVVYCD-HNBVOPMISA-N	1	0	368.518	1.582	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C)on1)C2	ZINC001112247222	841912469	/nfs/dbraw/zinc/91/24/69/841912469.db2.gz	CBMCFKHGXOIDSI-DOXZYTNZSA-N	1	0	360.458	1.506	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncc(C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105611849	841918018	/nfs/dbraw/zinc/91/80/18/841918018.db2.gz	VTPYDFPHZMLYFL-ANTGDGSKSA-N	1	0	355.482	1.993	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CNC(=O)CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105615428	842231094	/nfs/dbraw/zinc/23/10/94/842231094.db2.gz	UVMNRLFXRQPFLR-YKCBXCCJSA-N	1	0	365.518	1.445	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(OC)no3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619195	842237016	/nfs/dbraw/zinc/23/70/16/842237016.db2.gz	HOEXCSWXTJMZTB-PHNROFDPSA-N	1	0	363.458	1.839	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cccnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619491	842237611	/nfs/dbraw/zinc/23/76/11/842237611.db2.gz	LXXNLNMQUCUSOL-UKAVVXHISA-N	1	0	355.482	1.614	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnn3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619504	842238108	/nfs/dbraw/zinc/23/81/08/842238108.db2.gz	MCQBMFHTKDOEQU-UIXUWTQFSA-N	1	0	358.486	1.506	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncccc3O)[C@H]2C(C)C)C[C@H]1O	ZINC001105619733	842239200	/nfs/dbraw/zinc/23/92/00/842239200.db2.gz	PZFOYSAVLUKEQT-BIJSTVTOSA-N	1	0	357.454	1.390	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(F)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105620036	842241009	/nfs/dbraw/zinc/24/10/09/842241009.db2.gz	VLRDWBQRJLIACI-XSYGEPLQSA-N	1	0	359.445	1.824	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)ncn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105620120	842241808	/nfs/dbraw/zinc/24/18/08/842241808.db2.gz	WTAOOKAFWIGKBP-XSYGEPLQSA-N	1	0	356.470	1.388	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnnc(C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105620083	842241940	/nfs/dbraw/zinc/24/19/40/842241940.db2.gz	WNBXSNVVPHMQCA-SOAMZJECSA-N	1	0	356.470	1.388	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cncnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105622772	842248751	/nfs/dbraw/zinc/24/87/51/842248751.db2.gz	HPGZJXVJFMWGQG-JYBIWHBTSA-N	1	0	356.470	1.009	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nn(C)cc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105626530	842257069	/nfs/dbraw/zinc/25/70/69/842257069.db2.gz	CMNCXODNXUDWIE-HBXLWWENSA-N	1	0	358.486	1.332	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C)nn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105628728	842261596	/nfs/dbraw/zinc/26/15/96/842261596.db2.gz	XTHOREAKFJTIIA-SOAMZJECSA-N	1	0	356.470	1.388	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cncs3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637292	842271009	/nfs/dbraw/zinc/27/10/09/842271009.db2.gz	MSOIYUYCASGWDR-RWQQGDIJSA-N	1	0	361.511	1.675	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc[nH]c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105632415	842279914	/nfs/dbraw/zinc/27/99/14/842279914.db2.gz	KZUNZLGLOBEQOP-XSYGEPLQSA-N	1	0	361.486	1.797	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3coc(OC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105641474	842294465	/nfs/dbraw/zinc/29/44/65/842294465.db2.gz	BOKSZOFOZUZMOB-NVQRDWNXSA-N	1	0	361.442	1.286	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(COCC)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105642248	842304740	/nfs/dbraw/zinc/30/47/40/842304740.db2.gz	IHLZBDAUHFGHBX-IKVWTGGYSA-N	1	0	362.514	1.793	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccc(=O)[nH]c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105642682	842308637	/nfs/dbraw/zinc/30/86/37/842308637.db2.gz	LAIADOZIPJRQBH-SGLNWRHMSA-N	1	0	371.481	1.319	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3ccon3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105642671	842308686	/nfs/dbraw/zinc/30/86/86/842308686.db2.gz	KYKLWAWTWYOKCY-HNBVOPMISA-N	1	0	359.470	1.597	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3cncnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105642825	842320784	/nfs/dbraw/zinc/32/07/84/842320784.db2.gz	NHVCCSFBWPLJGX-UKAVVXHISA-N	1	0	370.497	1.399	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@@H]1C(C)C	ZINC001105645438	842394996	/nfs/dbraw/zinc/39/49/96/842394996.db2.gz	AQMVPBAVKYDPOJ-JYBIWHBTSA-N	1	0	350.503	1.529	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(C)(C)COC)[C@H]2C(C)C)C[C@H]1O	ZINC001105645594	842396191	/nfs/dbraw/zinc/39/61/91/842396191.db2.gz	BUPBXFYHMBBHNC-ZTRFORPCSA-N	1	0	350.503	1.648	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CCCO)C3)[C@@H]2C(C)C)cc1	ZINC001105645992	842402073	/nfs/dbraw/zinc/40/20/73/842402073.db2.gz	GHZNQUJGHUVWJR-JBPLPALLSA-N	1	0	370.493	1.630	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C4CC4)n[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105655304	842483388	/nfs/dbraw/zinc/48/33/88/842483388.db2.gz	HIUVTWIRILHESH-ANTGDGSKSA-N	1	0	370.497	1.890	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(CF)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105657725	842494880	/nfs/dbraw/zinc/49/48/80/842494880.db2.gz	APRVQSFXHOZJTP-PDOICOKGSA-N	1	0	368.493	1.905	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC#CCOC)C2)[C@H]1C(C)C	ZINC001105660461	842532693	/nfs/dbraw/zinc/53/26/93/842532693.db2.gz	VHUHBFVXCGBGDF-VURPSTOHSA-N	1	0	362.514	1.959	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C3)[C@@H]2C(C)C)C1	ZINC001105660625	842566897	/nfs/dbraw/zinc/56/68/97/842566897.db2.gz	XHOFOHCMMIYNPP-RNKNFESXSA-N	1	0	363.502	1.055	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)CN4CCCNC4=O)[C@@H]3C2)cc1	ZINC001075985414	843236437	/nfs/dbraw/zinc/23/64/37/843236437.db2.gz	GUWHVRFDIDKJPB-ZWKOTPCHSA-N	1	0	367.453	1.006	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1	ZINC000462016309	843284489	/nfs/dbraw/zinc/28/44/89/843284489.db2.gz	NBZSCJTXPISQIN-SWLSCSKDSA-N	1	0	353.430	1.861	20	30		FDEDRO
C[C@H](C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(C#N)c1	ZINC000462035679	843291756	/nfs/dbraw/zinc/29/17/56/843291756.db2.gz	XNEVGDFDSJLFFJ-MAUKXSAKSA-N	1	0	356.470	1.721	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nc(C)oc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105666951	843366718	/nfs/dbraw/zinc/36/67/18/843366718.db2.gz	LSSIORYUDMLOIF-ZTRFORPCSA-N	1	0	359.470	1.894	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nc(C)oc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105667611	843660081	/nfs/dbraw/zinc/66/00/81/843660081.db2.gz	SFZDPCUUHCOHES-ZTRFORPCSA-N	1	0	359.470	1.894	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCc3ccccc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105668306	843787217	/nfs/dbraw/zinc/78/72/17/843787217.db2.gz	JAERSVBCRYMFOF-UGESXGAOSA-N	1	0	370.493	1.803	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)NCC[N@@H+]3CCC(C)(C)C3)CC2)c1C#N	ZINC000898590629	844888956	/nfs/dbraw/zinc/88/89/56/844888956.db2.gz	BDEQMZKAVKMSCZ-UHFFFAOYSA-N	1	0	373.505	1.164	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O	ZINC001083505260	844934506	/nfs/dbraw/zinc/93/45/06/844934506.db2.gz	GEKLFZQAWBWCQR-QRVBRYPASA-N	1	0	356.470	1.094	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCOC)C2)[C@H]1C(C)C	ZINC001105674346	845478624	/nfs/dbraw/zinc/47/86/24/845478624.db2.gz	WGGSLMSEDZMLMU-LFGUQSLTSA-N	1	0	368.518	1.582	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncnc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105675210	845658848	/nfs/dbraw/zinc/65/88/48/845658848.db2.gz	MZFYKWGUKHDMTH-XCJLJZCSSA-N	1	0	370.497	1.642	20	30		FDEDRO
C#CC[C@@H]1NC(=O)N(CCc2ccc(OCC[NH+]3CCCC3)cc2)C1=O	ZINC000842239653	845873421	/nfs/dbraw/zinc/87/34/21/845873421.db2.gz	HSWSTLSMDPYNKG-SFHVURJKSA-N	1	0	355.438	1.647	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(CC)c2)C[C@@H]1O	ZINC001083535455	846903999	/nfs/dbraw/zinc/90/39/99/846903999.db2.gz	RRAPSYOAOJSRFF-AABGKKOBSA-N	1	0	355.482	1.008	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cn(C(C)C)cn4)[C@@H]3C2)C1=O	ZINC001076083570	847246391	/nfs/dbraw/zinc/24/63/91/847246391.db2.gz	HCLUOYIHQHTEKB-RYQLBKOJSA-N	1	0	371.485	1.397	20	30		FDEDRO
CN1C(=O)CC[C@H]1CC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001076122296	847342951	/nfs/dbraw/zinc/34/29/51/847342951.db2.gz	TZELGCKZXATEIC-GBESFXJTSA-N	1	0	366.465	1.602	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](CNc3nccnc3C#N)C2)CC[N@@H+]1C	ZINC001060100863	847344654	/nfs/dbraw/zinc/34/46/54/847344654.db2.gz	JENVDVSYJQGXGJ-HLLBOEOZSA-N	1	0	356.474	1.729	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccn(CC)c4C)[C@@H]3C2)C1=O	ZINC001076160159	847422943	/nfs/dbraw/zinc/42/29/43/847422943.db2.gz	ONRHJUQONDUNJD-YTQUADARSA-N	1	0	370.497	1.750	20	30		FDEDRO
Cn1c(C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)cccc1=O	ZINC001076225593	847600174	/nfs/dbraw/zinc/60/01/74/847600174.db2.gz	RNXNPMCQHJDRBY-PKOBYXMFSA-N	1	0	362.433	1.603	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4ccc(C(N)=O)[nH]4)[C@@H]3C2)c1	ZINC001076252861	847701420	/nfs/dbraw/zinc/70/14/20/847701420.db2.gz	VXJMPPNZBQQSDQ-MAUKXSAKSA-N	1	0	363.421	1.332	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C5CC5)n[nH]4)[C@@H]3C2)C1=O	ZINC001076279606	847735315	/nfs/dbraw/zinc/73/53/15/847735315.db2.gz	DZJAMBRLJLCTEB-BMGDILEWSA-N	1	0	369.469	1.220	20	30		FDEDRO
N#Cc1ccccc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1	ZINC001077444463	861826213	/nfs/dbraw/zinc/82/62/13/861826213.db2.gz	ZSSSLVAQRGNRLO-VAMGGRTRSA-N	1	0	368.481	1.094	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN([C@H](C)c4nnc(CC)o4)C[C@H]32)cn1	ZINC001076476829	848242004	/nfs/dbraw/zinc/24/20/04/848242004.db2.gz	DMMOFCYNQVSKSE-UKPHBRMFSA-N	1	0	365.437	1.916	20	30		FDEDRO
CC(=O)N1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)C1	ZINC001076508535	848285588	/nfs/dbraw/zinc/28/55/88/848285588.db2.gz	ZMHGBFRXQCUXEQ-SLFFLAALSA-N	1	0	366.465	1.459	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)cn1	ZINC001076751563	848958508	/nfs/dbraw/zinc/95/85/08/848958508.db2.gz	VAHFOSNNOOHGSW-JCGIZDLHSA-N	1	0	356.470	1.418	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCC3(F)F)C[C@H]2O)c1	ZINC001076855661	849213678	/nfs/dbraw/zinc/21/36/78/849213678.db2.gz	GWPWBKYHOKJLST-NWANDNLSSA-N	1	0	352.385	1.487	20	30		FDEDRO
Cc1ccc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)cc1	ZINC001076898335	849282408	/nfs/dbraw/zinc/28/24/08/849282408.db2.gz	DIOBRXAUAMGIPO-RTBURBONSA-N	1	0	352.438	1.603	20	30		FDEDRO
C[C@H](c1ccc2c(c1)CCC2)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1	ZINC001076898725	849284707	/nfs/dbraw/zinc/28/47/07/849284707.db2.gz	XJUFMVHCPOOCKP-SMHULIPUSA-N	1	0	364.449	1.911	20	30		FDEDRO
CNC(=O)C[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccccc1	ZINC000483428979	849566372	/nfs/dbraw/zinc/56/63/72/849566372.db2.gz	XENYBBYXCOIPJV-PKOBYXMFSA-N	1	0	353.422	1.765	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(Cc3ccc(C#N)s3)C[C@H]2O)CC[N@@H+]1C	ZINC001077026874	849575162	/nfs/dbraw/zinc/57/51/62/849575162.db2.gz	OTGINFKAYKHOHY-YLFCFFPRSA-N	1	0	362.499	1.011	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CCCC[NH+]1CCCC1	ZINC001077167240	849973856	/nfs/dbraw/zinc/97/38/56/849973856.db2.gz	HLVCNMUVRNJLHZ-KSZLIROESA-N	1	0	365.518	1.855	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C1CC[NH+](C)CC1	ZINC001077183507	850003933	/nfs/dbraw/zinc/00/39/33/850003933.db2.gz	OJAXUKZSLJWDLU-UAGQMJEPSA-N	1	0	351.491	1.320	20	30		FDEDRO
C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(Br)c(C#N)c2)CC[NH2+]1	ZINC000903495228	850201149	/nfs/dbraw/zinc/20/11/49/850201149.db2.gz	SOVZATCKPWPZRR-MWLCHTKSSA-N	1	0	358.261	1.740	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@H]2O)cc1	ZINC001077245652	850232515	/nfs/dbraw/zinc/23/25/15/850232515.db2.gz	DITNCMBATWNIRU-BHIYHBOVSA-N	1	0	360.454	1.595	20	30		FDEDRO
Cc1ccc(CC(=O)N[C@@H]2CN(Cc3ccc(C#N)s3)C[C@H]2O)cc1	ZINC001077328352	850584520	/nfs/dbraw/zinc/58/45/20/850584520.db2.gz	ZNKHAPDXMWVGMQ-QZTJIDSGSA-N	1	0	355.463	1.832	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@@H]2O)cc1	ZINC001083577685	850914310	/nfs/dbraw/zinc/91/43/10/850914310.db2.gz	DITNCMBATWNIRU-UHOSZYNNSA-N	1	0	360.454	1.595	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CN2CC[C@@H](c3ccccc3)NC2=O)CC1	ZINC000668369358	851052276	/nfs/dbraw/zinc/05/22/76/851052276.db2.gz	VKYUELNLPSYCGW-SFHVURJKSA-N	1	0	356.470	1.910	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCC(=O)NC2=O)C1	ZINC001112537798	851101712	/nfs/dbraw/zinc/10/17/12/851101712.db2.gz	YYVKTSHBCWTIPY-AVYPCKFXSA-N	1	0	361.486	1.612	20	30		FDEDRO
N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccnn1Cc1ccc(Cl)s1	ZINC000904547131	851286075	/nfs/dbraw/zinc/28/60/75/851286075.db2.gz	ARXIGHXTNXBDQH-ONGXEEELSA-N	1	0	350.835	1.879	20	30		FDEDRO
N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(=O)n(Cc2cccc(F)c2)c1	ZINC000904608404	851309583	/nfs/dbraw/zinc/30/95/83/851309583.db2.gz	YPWGCHSGFGVKLY-XJKSGUPXSA-N	1	0	355.373	1.269	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCN2c2ncc(C#N)cc2F)CC[N@@H+]1C	ZINC001060184590	851396166	/nfs/dbraw/zinc/39/61/66/851396166.db2.gz	IJDJIQBWGLZINI-VNQPRFMTSA-N	1	0	359.449	1.908	20	30		FDEDRO
C#C[C@@H]([NH2+]C[C@H](O)COc1cn(-c2ccccc2)nc1C(=O)OC)C(C)C	ZINC000905245884	851770004	/nfs/dbraw/zinc/77/00/04/851770004.db2.gz	YCEHKHATDFLVJQ-DLBZAZTESA-N	1	0	371.437	1.646	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCCC3)c1	ZINC000905353905	851850967	/nfs/dbraw/zinc/85/09/67/851850967.db2.gz	MPWLPDYCWNJHJX-MRXNPFEDSA-N	1	0	363.483	1.555	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1	ZINC000913516678	862299214	/nfs/dbraw/zinc/29/92/14/862299214.db2.gz	ABUDRCPSRLVXCD-CQSZACIVSA-N	1	0	368.403	1.998	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F	ZINC000905448550	851927167	/nfs/dbraw/zinc/92/71/67/851927167.db2.gz	XLNFKXYVKCLMCG-PWSUYJOCSA-N	1	0	354.275	1.446	20	30		FDEDRO
Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCC#CC[NH+](C)C)ccc1[N+](=O)[O-]	ZINC000913518048	862302968	/nfs/dbraw/zinc/30/29/68/862302968.db2.gz	BLJCFMXYUWPZKC-KRWDZBQOSA-N	1	0	372.425	1.189	20	30		FDEDRO
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH2+]C[C@H](O)CN(C)CCC#N	ZINC000905509894	851983506	/nfs/dbraw/zinc/98/35/06/851983506.db2.gz	SNJGWXRMLOFFBJ-OAGGEKHMSA-N	1	0	354.495	1.285	20	30		FDEDRO
C[C@@H]1OC[C@]2(CC[C@H](C[NH2+]C[C@@H](O)COc3ccc(C#N)cc3)O2)[C@H]1C	ZINC000905486218	851986654	/nfs/dbraw/zinc/98/66/54/851986654.db2.gz	MYILTVDWPNLSSM-JGKKSEDXSA-N	1	0	360.454	1.860	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1	ZINC000913522562	862307151	/nfs/dbraw/zinc/30/71/51/862307151.db2.gz	OUHXNDSXXJMKEN-UHFFFAOYSA-N	1	0	356.875	1.575	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)nc1	ZINC000905516802	852008682	/nfs/dbraw/zinc/00/86/82/852008682.db2.gz	NTDDSWCGCWPDHT-NEPJUHHUSA-N	1	0	363.361	1.426	20	30		FDEDRO
CN(C)S(=O)(=O)Cc1ccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)cc1	ZINC000905520687	852013002	/nfs/dbraw/zinc/01/30/02/852013002.db2.gz	OJAFWRSUYAMWKT-INIZCTEOSA-N	1	0	353.488	1.468	20	30		FDEDRO
CC(C)(C)OC(=O)NC1CCN(CC[NH2+]C[C@@H](O)CC2(C#N)CC2)CC1	ZINC000905527714	852020528	/nfs/dbraw/zinc/02/05/28/852020528.db2.gz	FAYODADTCWDQDE-INIZCTEOSA-N	1	0	366.506	1.620	20	30		FDEDRO
CC[C@@H](CN1CCOCC1)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1	ZINC000905553185	852056703	/nfs/dbraw/zinc/05/67/03/852056703.db2.gz	RWUMVUOYTRPOTQ-INIZCTEOSA-N	1	0	351.472	1.032	20	30		FDEDRO
N#Cc1cnc2ccccc2c1N1CC[NH+](C[C@H](O)C2(O)CCCC2)CC1	ZINC000905925124	852414094	/nfs/dbraw/zinc/41/40/94/852414094.db2.gz	RVYNDVLMSCVXIO-IBGZPJMESA-N	1	0	366.465	1.894	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)C(=O)NCC1([NH3+])CC1	ZINC000906693824	853222353	/nfs/dbraw/zinc/22/23/53/853222353.db2.gz	RBNFRRRFFTXJQY-UHFFFAOYSA-N	1	0	368.231	1.560	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CCC[C@]34CC[NH2+]C4)cc21	ZINC000906773323	853299343	/nfs/dbraw/zinc/29/93/43/853299343.db2.gz	VLOYIXJKVIAGRN-LJQANCHMSA-N	1	0	353.426	1.515	20	30		FDEDRO
COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(C2CC2)c(C#N)c1	ZINC000906755154	853322284	/nfs/dbraw/zinc/32/22/84/853322284.db2.gz	NWQFDISTLSOIAY-MRXNPFEDSA-N	1	0	356.426	1.211	20	30		FDEDRO
COc1cccc([C@H](CNS(=O)(=O)c2ccc(C#N)cn2)N(C)C)c1	ZINC000906807949	853326339	/nfs/dbraw/zinc/32/63/39/853326339.db2.gz	NQIRALATRWBQLB-INIZCTEOSA-N	1	0	360.439	1.543	20	30		FDEDRO
C=CCOc1ccc(C[N@@H+]2CCC[C@@H](N3CCNCC3=O)C2)cc1OC	ZINC000486020341	853379657	/nfs/dbraw/zinc/37/96/57/853379657.db2.gz	RBTXZAGPJMHMNU-QGZVFWFLSA-N	1	0	359.470	1.656	20	30		FDEDRO
C=CCc1cc(C[N@@H+]2CCC[C@H](N3CCNCC3=O)C2)cc(OC)c1O	ZINC000486018208	853400386	/nfs/dbraw/zinc/40/03/86/853400386.db2.gz	MHVUACGPEIMKCX-KRWDZBQOSA-N	1	0	359.470	1.526	20	30		FDEDRO
CN1CC[N@H+](C)CC(C(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)C1	ZINC000907050995	853754295	/nfs/dbraw/zinc/75/42/95/853754295.db2.gz	OVLVOZLUZBUDID-UHFFFAOYSA-N	1	0	352.442	1.058	20	30		FDEDRO
C#Cc1ccc(S(=O)(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1	ZINC000907107966	853798945	/nfs/dbraw/zinc/79/89/45/853798945.db2.gz	RDTIXIDSNNRLIE-IBGZPJMESA-N	1	0	370.474	1.713	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(C#N)cn1	ZINC000907120405	853829656	/nfs/dbraw/zinc/82/96/56/853829656.db2.gz	FRAMXTBTKLWAPK-RHSMWYFYSA-N	1	0	356.451	1.752	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1	ZINC000907284558	854024779	/nfs/dbraw/zinc/02/47/79/854024779.db2.gz	HYOVDABYHFGHMZ-QGZVFWFLSA-N	1	0	365.499	1.927	20	30		FDEDRO
N#CCc1ccccc1S(=O)(=O)NC1CC[NH+](C2CCOCC2)CC1	ZINC000907328229	854082693	/nfs/dbraw/zinc/08/26/93/854082693.db2.gz	MHJZWSFVKVBKQL-UHFFFAOYSA-N	1	0	363.483	1.674	20	30		FDEDRO
O=C(NO)c1ccc(CNC(=O)C2CCC([NH+]3CCOCC3)CC2)cc1	ZINC000907817468	854684153	/nfs/dbraw/zinc/68/41/53/854684153.db2.gz	NMLHLHWWDDJNSX-UHFFFAOYSA-N	1	0	361.442	1.313	20	30		FDEDRO
CC(C)[NH+]1CCN(CCC(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC1	ZINC000907852557	854718207	/nfs/dbraw/zinc/71/82/07/854718207.db2.gz	LSFDSNHENYHLHH-UHFFFAOYSA-N	1	0	370.501	1.018	20	30		FDEDRO
C=CCCC1(CNC(=O)C(=O)NC2CC[NH+](CCOC)CC2)CCCC1	ZINC000668633251	854783968	/nfs/dbraw/zinc/78/39/68/854783968.db2.gz	JBTSTQDNWZYFOQ-UHFFFAOYSA-N	1	0	365.518	1.856	20	30		FDEDRO
C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NC1CC[NH+](CCOC)CC1	ZINC000668632833	854789015	/nfs/dbraw/zinc/78/90/15/854789015.db2.gz	BARFBOGBPKMOCP-DOTOQJQBSA-N	1	0	351.491	1.465	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c(F)c1	ZINC000908005629	854893122	/nfs/dbraw/zinc/89/31/22/854893122.db2.gz	CYXNLJNNDANMKB-DLBZAZTESA-N	1	0	367.446	1.058	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1	ZINC000668652662	855057712	/nfs/dbraw/zinc/05/77/12/855057712.db2.gz	AKOURWQURWMBLV-AEFFLSMTSA-N	1	0	359.470	1.647	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1ccc(C#N)cc1)CC2	ZINC000991120521	855141924	/nfs/dbraw/zinc/14/19/24/855141924.db2.gz	RAEUDGGKMNARGY-DZJZLKLXSA-N	1	0	369.465	1.975	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(c2cccc(C#N)n2)CC1)[NH+]1CCCCC1	ZINC000760673999	862656574	/nfs/dbraw/zinc/65/65/74/862656574.db2.gz	GETIXILMFQPBDE-MRXNPFEDSA-N	1	0	356.474	1.659	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C	ZINC000908460446	855445776	/nfs/dbraw/zinc/44/57/76/855445776.db2.gz	TWNCOWWJTWLTPX-QGZVFWFLSA-N	1	0	367.519	1.425	20	30		FDEDRO
C[NH+]1CCC2(CCC(NC(=O)CCNC(=O)C3N=CC=CC3=O)CC2)CC1	ZINC000908500503	855483579	/nfs/dbraw/zinc/48/35/79/855483579.db2.gz	CZVJMIVQZHLSPH-VHEBQXMUSA-N	1	0	374.485	1.674	20	30		FDEDRO
C=CCn1c(COCCOC)nnc1N1CCN(c2cc[nH+]cc2)[C@H](C)C1	ZINC000908700654	855704742	/nfs/dbraw/zinc/70/47/42/855704742.db2.gz	NSJZIIKSTWIDIS-MRXNPFEDSA-N	1	0	372.473	1.737	20	30		FDEDRO
C=CCn1c(-c2cnsn2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000908714198	855718804	/nfs/dbraw/zinc/71/88/04/855718804.db2.gz	ILOZVGRYCXJWMU-ZDUSSCGKSA-N	1	0	361.475	1.284	20	30		FDEDRO
C=CCn1c(-c2ccc(=O)n(C)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1	ZINC000908741930	855739702	/nfs/dbraw/zinc/73/97/02/855739702.db2.gz	PUNZGZINVBHBDC-QGZVFWFLSA-N	1	0	368.485	1.894	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1	ZINC000487798089	856758006	/nfs/dbraw/zinc/75/80/06/856758006.db2.gz	KFKDJRIBOLEOBH-KRWDZBQOSA-N	1	0	365.518	1.951	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1	ZINC000488144913	857197547	/nfs/dbraw/zinc/19/75/47/857197547.db2.gz	GUSVJYSNDBWNCC-OAHLLOKOSA-N	1	0	360.458	1.600	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1	ZINC000910664862	857479556	/nfs/dbraw/zinc/47/95/56/857479556.db2.gz	QHAIYRKFOHDRMW-CQSZACIVSA-N	1	0	360.483	1.522	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21	ZINC000910669628	857486771	/nfs/dbraw/zinc/48/67/71/857486771.db2.gz	KRDNFHSCCKBQBZ-HOCLYGCPSA-N	1	0	360.483	1.521	20	30		FDEDRO
CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)Cc2cc(C#N)cs2)C1	ZINC000910672004	857490055	/nfs/dbraw/zinc/49/00/55/857490055.db2.gz	BDAJLUXXBNNJSH-CQSZACIVSA-N	1	0	362.499	1.768	20	30		FDEDRO
Cc1cncc(C)c1C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@@H]1O	ZINC001083639972	857591308	/nfs/dbraw/zinc/59/13/08/857591308.db2.gz	TYEFZXUTQRFSMA-CVEARBPZSA-N	1	0	356.451	1.607	20	30		FDEDRO
C[C@@H](C#N)CN(C)C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000910814934	857705470	/nfs/dbraw/zinc/70/54/70/857705470.db2.gz	IMCJZKAOMAWDLN-YTQUADARSA-N	1	0	368.481	1.585	20	30		FDEDRO
C#CCN(C(=O)C(=O)N(C)Cc1cc(C)ccc1C)C1CC[NH+](C)CC1	ZINC000910886053	857838737	/nfs/dbraw/zinc/83/87/37/857838737.db2.gz	JWWXPZCNRXGYGE-UHFFFAOYSA-N	1	0	355.482	1.818	20	30		FDEDRO
C[NH+]=C(NCCC1=CCCC1)N1CCN([C@H](C)C(=O)N2CCCC2)CC1	ZINC000156998465	862960266	/nfs/dbraw/zinc/96/02/66/862960266.db2.gz	CMPHKXZQHDDFID-QGZVFWFLSA-N	1	0	361.534	1.691	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1	ZINC000910954016	857924684	/nfs/dbraw/zinc/92/46/84/857924684.db2.gz	WVIBSMNESCCDDT-OCQZMCQHSA-N	1	0	371.481	1.259	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1)c1ccncc1	ZINC000911000072	858015119	/nfs/dbraw/zinc/01/51/19/858015119.db2.gz	BRJGARSKHQQLIR-IRXDYDNUSA-N	1	0	372.469	1.171	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]CC3)CC2)c1	ZINC000911055432	858053085	/nfs/dbraw/zinc/05/30/85/858053085.db2.gz	OTEPPAPLDVHLLZ-SFHVURJKSA-N	1	0	368.481	1.803	20	30		FDEDRO
N#Cc1cc(C(=O)Nc2ccccc2C[N@H+]2CCC[C@@H](C(N)=O)C2)c[nH]1	ZINC000488486715	858107745	/nfs/dbraw/zinc/10/77/45/858107745.db2.gz	BBBNKQSGFREARU-CQSZACIVSA-N	1	0	351.410	1.836	20	30		FDEDRO
C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1	ZINC000669331347	862985609	/nfs/dbraw/zinc/98/56/09/862985609.db2.gz	FWBWYUIVAKXSHQ-MRXNPFEDSA-N	1	0	370.505	1.962	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2)C(C)C	ZINC000911204153	858308736	/nfs/dbraw/zinc/30/87/36/858308736.db2.gz	VJTAXLLUGAFPOF-PXNSSMCTSA-N	1	0	362.518	1.156	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)cc1C#N	ZINC000911364453	858525656	/nfs/dbraw/zinc/52/56/56/858525656.db2.gz	GZDDXEXBMALLPL-LJQANCHMSA-N	1	0	362.433	1.314	20	30		FDEDRO
C=CC[C@@H]1N(C(=O)C(=O)NCCN2CCC([NH3+])CC2)CCCC1(C)C	ZINC000911413860	858603522	/nfs/dbraw/zinc/60/35/22/858603522.db2.gz	KDACDHCXEFSANX-INIZCTEOSA-N	1	0	350.507	1.119	20	30		FDEDRO
C=CCN(C(=O)C(=O)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C	ZINC000911573629	858796118	/nfs/dbraw/zinc/79/61/18/858796118.db2.gz	KWQGSAYABJATAG-JXFKEZNVSA-N	1	0	357.454	1.782	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21	ZINC000911576826	858801461	/nfs/dbraw/zinc/80/14/61/858801461.db2.gz	BAEZADZVQZSWRO-OXJNMPFZSA-N	1	0	373.453	1.020	20	30		FDEDRO
CC(C)[NH+]1CCN(CCC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)CC1	ZINC000911870546	859057995	/nfs/dbraw/zinc/05/79/95/859057995.db2.gz	JWMKOBUMKPDGEC-IBGZPJMESA-N	1	0	358.486	1.466	20	30		FDEDRO
C=CCCC[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1	ZINC000912065870	859286122	/nfs/dbraw/zinc/28/61/22/859286122.db2.gz	PZWALZGUCJPOLS-KRWDZBQOSA-N	1	0	365.499	1.344	20	30		FDEDRO
CC(=O)N1CCN(CCNC(NCc2ccccc2)=[NH+]C(C)(C)C)CC1	ZINC000912498645	859826755	/nfs/dbraw/zinc/82/67/55/859826755.db2.gz	CIFDRNFJTAXBHD-UHFFFAOYSA-N	1	0	359.518	1.684	20	30		FDEDRO
C[N@@H+]1CCC[C@@](O)(CC(=O)NC2(c3cccc(C#N)c3)CCOCC2)C1	ZINC000912514651	859837399	/nfs/dbraw/zinc/83/73/99/859837399.db2.gz	OUZLXUMRNTVYIA-LJQANCHMSA-N	1	0	357.454	1.527	20	30		FDEDRO
O=C(NC[C@H]1CCCN(C(=O)NCC#Cc2ccccc2)C1)[C@H]1CCC[NH2+]1	ZINC000668994444	860031507	/nfs/dbraw/zinc/03/15/07/860031507.db2.gz	BJWFDMWSJZPKIZ-RTBURBONSA-N	1	0	368.481	1.328	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCOCC2(CC2)C1	ZINC000669032708	860837112	/nfs/dbraw/zinc/83/71/12/860837112.db2.gz	SUNAJMNGPNYHHT-CVEARBPZSA-N	1	0	359.474	1.617	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N[C@@H](C(=O)OCC)[C@@H](O)c1ccc(Cl)cc1	ZINC000912948605	861106757	/nfs/dbraw/zinc/10/67/57/861106757.db2.gz	PTUSYIUWPVCSGR-CVEARBPZSA-N	1	0	368.861	1.929	20	30		FDEDRO
C=CCn1c(-c2ncccn2)nnc1N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000669053863	861148287	/nfs/dbraw/zinc/14/82/87/861148287.db2.gz	NTDUABYSOVXYGR-OAHLLOKOSA-N	1	0	357.462	1.468	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CSC(C)C)C[C@H]2C)C1=O	ZINC001105843000	863449101	/nfs/dbraw/zinc/44/91/01/863449101.db2.gz	SLLYTOHWSLYCFG-OAGGEKHMSA-N	1	0	353.532	1.599	20	30		FDEDRO
C=CCc1cc(CNC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cc(OC)c1OC	ZINC000669430417	863460312	/nfs/dbraw/zinc/46/03/12/863460312.db2.gz	QEDLWWPMTDMKCB-DYVFJYSZSA-N	1	0	363.458	1.690	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]Cc1nc2c(o1)CCCC2	ZINC001105848318	863493694	/nfs/dbraw/zinc/49/36/94/863493694.db2.gz	VZIRCAYRPQXJQS-ZIAGYGMSSA-N	1	0	362.499	1.994	20	30		FDEDRO
CCC[C@@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C	ZINC001105848119	863493927	/nfs/dbraw/zinc/49/39/27/863493927.db2.gz	OUSYDMIBHOYGKD-RBSFLKMASA-N	1	0	354.520	1.232	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCCO2)C[C@H]1C	ZINC001105859083	863519917	/nfs/dbraw/zinc/51/99/17/863519917.db2.gz	RYHNLYHAKRRVAS-KURKYZTESA-N	1	0	363.502	1.440	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)CCCOC)C[C@H]2C)c1	ZINC001105870134	863562758	/nfs/dbraw/zinc/56/27/58/863562758.db2.gz	SSNAHLGLRTUNNX-SJLPKXTDSA-N	1	0	371.481	1.717	20	30		FDEDRO
N#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@]24CC[N@H+](C2)CCC4)C3)[nH]1	ZINC001004826508	881682481	/nfs/dbraw/zinc/68/24/81/881682481.db2.gz	RNPZJXUMAKOJBC-PYQAKABTSA-N	1	0	367.453	1.234	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ncoc2C)C[C@H]1C	ZINC001105891141	863710305	/nfs/dbraw/zinc/71/03/05/863710305.db2.gz	UKJRHKCNUJYTHY-GDBMZVCRSA-N	1	0	362.474	1.705	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CNc2nccnc2C#N)CC[N@@H+]1C	ZINC001060316149	863768508	/nfs/dbraw/zinc/76/85/08/863768508.db2.gz	NPXUEIUNKJDRIK-HLLBOEOZSA-N	1	0	356.474	1.872	20	30		FDEDRO
C=CCN1CC(=O)N(CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)C1=O	ZINC000761032010	863822709	/nfs/dbraw/zinc/82/27/09/863822709.db2.gz	NNUQDQJMTVOEPM-SFHVURJKSA-N	1	0	356.470	1.815	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)[C@H](C)C1	ZINC001105913179	863950894	/nfs/dbraw/zinc/95/08/94/863950894.db2.gz	UKMAJHJQXCGOIU-BZUAXINKSA-N	1	0	353.507	1.566	20	30		FDEDRO
CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000761053413	863951984	/nfs/dbraw/zinc/95/19/84/863951984.db2.gz	QHPGVXKLSZHQLJ-LBPRGKRZSA-N	1	0	350.394	1.513	20	30		FDEDRO
CC[NH+]=C(NCCNC(=O)c1ccc(O)cc1)N1CC[C@]2(CCOC2)C1	ZINC000157977914	863964594	/nfs/dbraw/zinc/96/45/94/863964594.db2.gz	YNBOQZADMUVOKO-IBGZPJMESA-N	1	0	360.458	1.200	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCCC2)[C@H](C)C1	ZINC001105915202	863973980	/nfs/dbraw/zinc/97/39/80/863973980.db2.gz	WTJAAMABOAMFEG-IXDOHACOSA-N	1	0	365.518	1.711	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)C[C@@H](C)OC)C[C@H]2C)c1	ZINC001105920096	864004494	/nfs/dbraw/zinc/00/44/94/864004494.db2.gz	ZHTUHQGIWOEILI-JFIYKMOQSA-N	1	0	371.481	1.716	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+][C@@H]2CCN(c3ccn(C)n3)C2=O)[C@H](C)C1	ZINC001105922976	864027195	/nfs/dbraw/zinc/02/71/95/864027195.db2.gz	HFCYUYRZFDRFDF-BZUAXINKSA-N	1	0	359.474	1.176	20	30		FDEDRO
C=C(CNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccccc1	ZINC000641830461	864111798	/nfs/dbraw/zinc/11/17/98/864111798.db2.gz	OTWFWWXXGMAYMU-HXUWFJFHSA-N	1	0	372.513	1.796	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)Nc2ccccc2)[C@H](C)C1	ZINC001105937609	864130359	/nfs/dbraw/zinc/13/03/59/864130359.db2.gz	BSFXCLOJNSVNIZ-IXDOHACOSA-N	1	0	359.470	1.900	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCC[C@@H]2CC)[C@H](C)C1	ZINC001105937680	864130480	/nfs/dbraw/zinc/13/04/80/864130480.db2.gz	FQCRUQHSIVPNBC-KURKYZTESA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)c2ccc(F)cc2)[C@H](C)C1	ZINC001105938018	864131668	/nfs/dbraw/zinc/13/16/68/864131668.db2.gz	LBMLDIVWUSDVMO-QGPMSJSTSA-N	1	0	350.434	1.746	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2nc(CC(C)C)no2)[C@H](C)C1	ZINC001105942901	864162991	/nfs/dbraw/zinc/16/29/91/864162991.db2.gz	PLXIQUGUKUYFJV-HUUCEWRRSA-N	1	0	350.463	1.655	20	30		FDEDRO
COc1ccccc1NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C	ZINC001105945626	864185251	/nfs/dbraw/zinc/18/52/51/864185251.db2.gz	CCHOVCDECQMRFE-RBSFLKMASA-N	1	0	358.442	1.477	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]CCN2C(=O)c3ccccc3C2=O)[C@H](C)C1	ZINC001105945887	864187634	/nfs/dbraw/zinc/18/76/34/864187634.db2.gz	HLTMJDIOGKJWQM-RBSFLKMASA-N	1	0	368.437	1.126	20	30		FDEDRO
CC(C)n1nccc1NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C	ZINC001105952109	864211943	/nfs/dbraw/zinc/21/19/43/864211943.db2.gz	QTPPRADCFXCQMX-RRFJBIMHSA-N	1	0	360.462	1.246	20	30		FDEDRO
CC(C)CN(CC(C)C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C	ZINC001105952463	864212847	/nfs/dbraw/zinc/21/28/47/864212847.db2.gz	YONNOLSJGNJBEK-RCCFBDPRSA-N	1	0	364.534	1.971	20	30		FDEDRO
COCCOCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)[C@H](C)C1	ZINC001105953462	864218202	/nfs/dbraw/zinc/21/82/02/864218202.db2.gz	XRZBPVWIRLWZTD-RHSMWYFYSA-N	1	0	363.433	1.544	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001105957101	864229464	/nfs/dbraw/zinc/22/94/64/864229464.db2.gz	VXWBLEJSMXHLSL-GDBMZVCRSA-N	1	0	367.428	1.547	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)COCCCC)C[C@H]2C)C1=O	ZINC001105972806	864285227	/nfs/dbraw/zinc/28/52/27/864285227.db2.gz	FMEOTXKUKOOFMI-BRWVUGGUSA-N	1	0	351.491	1.274	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]CC(=O)NCC(C)(C)C	ZINC001105985309	864346413	/nfs/dbraw/zinc/34/64/13/864346413.db2.gz	GURVYNVUCMKQFD-UKRRQHHQSA-N	1	0	359.474	1.346	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1CN([C@H](C)C(=O)N(C(C)C)C(C)C)C[C@H]1OC	ZINC001212184562	864490516	/nfs/dbraw/zinc/49/05/16/864490516.db2.gz	BHYGCYPMXIGSSA-KZNAEPCWSA-N	1	0	365.518	1.639	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C(F)=C(C)C)C[C@H]1C	ZINC001106005089	864563872	/nfs/dbraw/zinc/56/38/72/864563872.db2.gz	DWZYKOPRBNWDNG-HZSPNIEDSA-N	1	0	368.453	1.334	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]CCCN1CCCC1=O	ZINC001106028999	864875098	/nfs/dbraw/zinc/87/50/98/864875098.db2.gz	DGAICMYIUAQPCH-GDBMZVCRSA-N	1	0	357.458	1.197	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(CC)cc2)C[C@H]1OC	ZINC001212187125	864881398	/nfs/dbraw/zinc/88/13/98/864881398.db2.gz	KHJKEPJYNHHQLV-VAMGGRTRSA-N	1	0	358.482	1.901	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C)C(=O)NC(C)(C)C	ZINC001106029530	864884927	/nfs/dbraw/zinc/88/49/27/864884927.db2.gz	WHTZAHTVOVRBFF-VNHYZAJKSA-N	1	0	359.474	1.487	20	30		FDEDRO
C#CCNC(=O)C1CCN(Cn2nc(C)c3ccc([N+](=O)[O-])cc32)CC1	ZINC000761291580	864899724	/nfs/dbraw/zinc/89/97/24/864899724.db2.gz	VBOOTPXUZVPIAQ-UHFFFAOYSA-N	1	0	355.398	1.672	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+]CCCS(=O)(=O)CC)[C@H](C)C1	ZINC001106030764	864899892	/nfs/dbraw/zinc/89/98/92/864899892.db2.gz	JERNJCRSKYDMIE-IAGOWNOFSA-N	1	0	356.532	1.689	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C)[C@H](C)C1	ZINC001106057110	865053320	/nfs/dbraw/zinc/05/33/20/865053320.db2.gz	SRRXQESJBWJRNH-OWCLPIDISA-N	1	0	364.490	1.097	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2cn(CC3CC3)nn2)[C@H](C)C1	ZINC001106058804	865066685	/nfs/dbraw/zinc/06/66/85/865066685.db2.gz	IYFQZNAMHMVUCO-IDHHARJASA-N	1	0	361.490	1.199	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CC(=C)C)[C@H](C)C1	ZINC001106058579	865071832	/nfs/dbraw/zinc/07/18/32/865071832.db2.gz	FMOIHDUKXNVFJM-MBOZVWFJSA-N	1	0	365.518	1.422	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](C[C@@H](OC)C3CCC3)[C@@H]2C)nn1	ZINC001088911253	865400338	/nfs/dbraw/zinc/40/03/38/865400338.db2.gz	HBVVCECMTRHYGQ-UWWQBHOKSA-N	1	0	361.490	1.862	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc3nncn3c2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088917226	865432421	/nfs/dbraw/zinc/43/24/21/865432421.db2.gz	GNHALLJZMMRRFA-KDOFPFPSSA-N	1	0	360.421	1.994	20	30		FDEDRO
CCCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)nn1	ZINC001088946093	865625467	/nfs/dbraw/zinc/62/54/67/865625467.db2.gz	FXZRIEGLLLHOMI-PBHICJAKSA-N	1	0	352.442	1.953	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc3c(c2)CCC=C3)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106884705	881902534	/nfs/dbraw/zinc/90/25/34/881902534.db2.gz	KPEGPMVGUCPAPD-DNVCBOLYSA-N	1	0	366.465	1.583	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1CC#Cc1ccc(F)cc1	ZINC001088983385	865911743	/nfs/dbraw/zinc/91/17/43/865911743.db2.gz	UOWMNPWSKNOGSO-APWZRJJASA-N	1	0	355.457	1.852	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(COC)cc2)C[C@H]1OC	ZINC001212193142	865931951	/nfs/dbraw/zinc/93/19/51/865931951.db2.gz	AOKJJQACRCGUMI-QWFCFKBJSA-N	1	0	362.470	1.476	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](C[C@H]2CCCCO2)[C@@H]1C	ZINC001088989607	865944576	/nfs/dbraw/zinc/94/45/76/865944576.db2.gz	CGOGLYHQFDUDPP-NUJGCVRESA-N	1	0	357.454	1.855	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](CC[C@H]2CCCO2)[C@@H]1C	ZINC001088989733	865944989	/nfs/dbraw/zinc/94/49/89/865944989.db2.gz	KZPRFBJGRZVIDU-NUJGCVRESA-N	1	0	357.454	1.855	20	30		FDEDRO
CN1C(=O)C(=C(N)NOCc2ccc([N+](=O)[O-])cc2)C(=[NH2+])C12CCCC2	ZINC000063456399	865973832	/nfs/dbraw/zinc/97/38/32/865973832.db2.gz	KQJUPLQRKPBNRP-UHFFFAOYSA-N	1	0	359.386	1.381	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@H]1OC	ZINC001212193696	866016511	/nfs/dbraw/zinc/01/65/11/866016511.db2.gz	JEDQSXJEUSGNDM-SFHLNBCPSA-N	1	0	358.482	1.818	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H](NC(=O)[C@@H]3C[C@H]3C3CCC3)[C@@H](O)C2)cc1F	ZINC001083850397	881994141	/nfs/dbraw/zinc/99/41/41/881994141.db2.gz	BLUWNQIEZPISNU-ISARSNTHSA-N	1	0	357.429	1.795	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCc2ccc(C#N)c(F)c2)CC1=O	ZINC000456848103	867101339	/nfs/dbraw/zinc/10/13/39/867101339.db2.gz	WEINPNQYWMXZPG-IAGOWNOFSA-N	1	0	372.444	1.646	20	30		FDEDRO
CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc(C#N)cc(N(C)C)c2)CC1	ZINC000456879336	867127144	/nfs/dbraw/zinc/12/71/44/867127144.db2.gz	KCSMPGMPZRSLMU-UHFFFAOYSA-N	1	0	357.502	1.770	20	30		FDEDRO
Cc1cc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)ncc1C#N	ZINC000457699821	867630588	/nfs/dbraw/zinc/63/05/88/867630588.db2.gz	OMQQUSQLPFAETK-SFHVURJKSA-N	1	0	350.422	1.758	20	30		FDEDRO
CCn1ncc(C(=O)N2C[C@@H](C[NH2+]CC#Cc3ccccc3)[C@H](C)C2)n1	ZINC001106085440	867696292	/nfs/dbraw/zinc/69/62/92/867696292.db2.gz	FRVKIMCLRNMIEP-SJLPKXTDSA-N	1	0	351.454	1.647	20	30		FDEDRO
CCOc1nnc(C[NH2+]C[C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2C)s1	ZINC001106094197	867981052	/nfs/dbraw/zinc/98/10/52/867981052.db2.gz	RCMHHMAUYKSHAE-ZIAGYGMSSA-N	1	0	350.488	1.780	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2n[nH]cc2C)C[C@H]1C	ZINC001106096034	867994219	/nfs/dbraw/zinc/99/42/19/867994219.db2.gz	SSKJXMZKTLLSLS-HZPDHXFCSA-N	1	0	361.490	1.440	20	30		FDEDRO
COc1cc(CNC(=O)N(C)CCC[N@H+](C)CCN(C)C)ccc1C#N	ZINC000462479732	868009047	/nfs/dbraw/zinc/00/90/47/868009047.db2.gz	YSBGJLDJRDBMIT-UHFFFAOYSA-N	1	0	361.490	1.592	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]Cc2ccc3c(c2)nnn3C)[C@H](C)C1	ZINC001106099938	868056659	/nfs/dbraw/zinc/05/66/59/868056659.db2.gz	SZLSRYAZFHCUJK-NVXWUHKLSA-N	1	0	353.470	1.812	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[C@H](C(=O)N4CCCC4)O3)CCC[C@@H]12	ZINC000992167958	868120425	/nfs/dbraw/zinc/12/04/25/868120425.db2.gz	LVOHAKOPVCNMAN-XLSPSMHOSA-N	1	0	361.486	1.456	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2)[C@H](C)C1	ZINC001106104686	868133537	/nfs/dbraw/zinc/13/35/37/868133537.db2.gz	CHXWSIHHCNRJEB-GUDVDZBRSA-N	1	0	358.482	1.770	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)CCC[C@H]12	ZINC000992172184	868145125	/nfs/dbraw/zinc/14/51/25/868145125.db2.gz	NWRIMYCDCUZUCI-NHAYFPRASA-N	1	0	363.502	1.702	20	30		FDEDRO
N#Cc1cc(F)cc(C2(C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)CC2)c1	ZINC000509197490	882167324	/nfs/dbraw/zinc/16/73/24/882167324.db2.gz	RMAWJWPSFHINTD-OAHLLOKOSA-N	1	0	372.444	1.433	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106107476	868248461	/nfs/dbraw/zinc/24/84/61/868248461.db2.gz	BLHHCLWOQZYOHS-SJLPKXTDSA-N	1	0	368.456	1.838	20	30		FDEDRO
CCCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C	ZINC001106109560	868301358	/nfs/dbraw/zinc/30/13/58/868301358.db2.gz	MZGWEILPXVECGB-HZPDHXFCSA-N	1	0	360.506	1.707	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2N(C)C)[C@H](C)C1	ZINC001106111212	868388604	/nfs/dbraw/zinc/38/86/04/868388604.db2.gz	ITTYJBZJEANCRV-ZHALLVOQSA-N	1	0	357.498	1.975	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccc(C)cc2)[C@H](C)C1	ZINC001106111420	868389914	/nfs/dbraw/zinc/38/99/14/868389914.db2.gz	MCIWBIWINVTHCM-FGTMMUONSA-N	1	0	371.481	1.656	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2cnc(OC)nc2C)[C@H](C)C1	ZINC001106115620	868530965	/nfs/dbraw/zinc/53/09/65/868530965.db2.gz	ZHNFDPXUNGHZDG-RHSMWYFYSA-N	1	0	360.458	1.018	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1[N@H+](CCc1cnn(C)c1)CC2	ZINC000992238510	868543018	/nfs/dbraw/zinc/54/30/18/868543018.db2.gz	DYBRIAVADROIGW-RMJJICAUSA-N	1	0	358.486	1.667	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2nc3c(o2)CCCC3)[C@H](C)C1	ZINC001106116503	868576670	/nfs/dbraw/zinc/57/66/70/868576670.db2.gz	GIMOUZYQZAMCGH-HZPDHXFCSA-N	1	0	359.470	1.777	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cnn(C(C)(C)C)c2)[C@H](C)C1	ZINC001106116620	868577939	/nfs/dbraw/zinc/57/79/39/868577939.db2.gz	IMOHDJNHBWYOGC-JFIYKMOQSA-N	1	0	360.502	1.861	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(CCC)s2)[C@H](C)C1	ZINC001106116881	868581511	/nfs/dbraw/zinc/58/15/11/868581511.db2.gz	RGENIRDKVOUIOO-QLFBSQMISA-N	1	0	364.515	1.713	20	30		FDEDRO
C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1C(N)=O	ZINC001089226040	868782165	/nfs/dbraw/zinc/78/21/65/868782165.db2.gz	RTYQLQXYDSQLFB-KSZLIROESA-N	1	0	354.454	1.493	20	30		FDEDRO
CC(C)(O)CN1CCN(C(=O)Nc2ncccc2OCCCC#N)CC1	ZINC000466605863	882234231	/nfs/dbraw/zinc/23/42/31/882234231.db2.gz	DNMOBXNHGWSDET-UHFFFAOYSA-N	1	0	361.446	1.685	20	30		FDEDRO
C=CCCOCCCCC(=O)N1C[C@@H](C[NH2+][C@H]2CCN(C)C2=O)[C@H](C)C1	ZINC001106124154	868908791	/nfs/dbraw/zinc/90/87/91/868908791.db2.gz	IANNRBYIUSBTCB-KURKYZTESA-N	1	0	365.518	1.664	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(CCc3c(F)cccc3F)C[C@@H]2O)cc1	ZINC001083691289	869088517	/nfs/dbraw/zinc/08/85/17/869088517.db2.gz	IHNQRFHGGIBDNV-UXHICEINSA-N	1	0	370.399	1.964	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(c3ccccn3)CC2)C[C@H]1C	ZINC001106129502	869184355	/nfs/dbraw/zinc/18/43/55/869184355.db2.gz	BUHBYAPEBDHIIL-IXDOHACOSA-N	1	0	370.497	1.488	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2scnc2C)C[C@@H]1O	ZINC001083853142	882280541	/nfs/dbraw/zinc/28/05/41/882280541.db2.gz	FCJWGGZAYQFLGY-IVSAIRAKSA-N	1	0	365.499	1.137	20	30		FDEDRO
N#Cc1ccc(N2C[C@@H](C(=O)NC34CC[NH+](CC3)C4)CC2=O)cc1Cl	ZINC000913635195	869267559	/nfs/dbraw/zinc/26/75/59/869267559.db2.gz	UXPRFZJWHPXKFV-ZDUSSCGKSA-N	1	0	358.829	1.529	20	30		FDEDRO
CC(C)(C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@@H]1O)[NH+]1CCCC1	ZINC001083696439	869364234	/nfs/dbraw/zinc/36/42/34/869364234.db2.gz	ZZAJKVDFXHWGON-CVEARBPZSA-N	1	0	362.499	1.155	20	30		FDEDRO
C[NH+](C)CC1(O)CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC1	ZINC000913679140	869383377	/nfs/dbraw/zinc/38/33/77/869383377.db2.gz	NUCWEVLUVVOXGR-UHFFFAOYSA-N	1	0	372.469	1.582	20	30		FDEDRO
N#CCc1ccc(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1	ZINC000491835316	869541330	/nfs/dbraw/zinc/54/13/30/869541330.db2.gz	OBUKPEDMNOJIAJ-UHFFFAOYSA-N	1	0	355.442	1.525	20	30		FDEDRO
Cc1ccc(C(=O)/C=C\C(=O)N2CCC(N3CC[NH+](C)CC3)CC2)cc1	ZINC000913760692	869584152	/nfs/dbraw/zinc/58/41/52/869584152.db2.gz	OLMPVYDUKVQFGA-FPLPWBNLSA-N	1	0	355.482	1.972	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1	ZINC000913871510	869843245	/nfs/dbraw/zinc/84/32/45/869843245.db2.gz	GCXHIUXQZAOAKW-IEBWSBKVSA-N	1	0	359.470	1.906	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccccc2CN2CCCC2=O)CC1	ZINC000914056032	870520771	/nfs/dbraw/zinc/52/07/71/870520771.db2.gz	SYIPODABLFLVGK-UHFFFAOYSA-N	1	0	368.481	1.706	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@H](CS(N)(=O)=O)C1)C(C)C	ZINC000914127515	870947571	/nfs/dbraw/zinc/94/75/71/870947571.db2.gz	KGBGDOVPTRLQKU-CVEARBPZSA-N	1	0	372.535	1.005	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2C[C@H]2c2ccccc2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106139727	870956058	/nfs/dbraw/zinc/95/60/58/870956058.db2.gz	BVUVERUVJSXEFZ-LULLPPNCSA-N	1	0	368.481	1.504	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCCN(CCO)CC1	ZINC000914140552	871058503	/nfs/dbraw/zinc/05/85/03/871058503.db2.gz	JLGVBHXUTHIVNE-UHFFFAOYSA-N	1	0	351.472	1.005	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC001033419970	882482559	/nfs/dbraw/zinc/48/25/59/882482559.db2.gz	DYQUHEJOKISZOJ-KURKYZTESA-N	1	0	354.454	1.315	20	30		FDEDRO
C[C@H]1CN(C(=O)Nc2nc(Cl)c(C#N)s2)CC[N@@H+]1CC(C)(C)O	ZINC000888419330	871554112	/nfs/dbraw/zinc/55/41/12/871554112.db2.gz	OTKRVSYJIZROIQ-VIFPVBQESA-N	1	0	357.867	1.977	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)NC(=O)CC(F)(F)F)C[C@H]1C	ZINC001106169579	871558729	/nfs/dbraw/zinc/55/87/29/871558729.db2.gz	FVFJNIMBRGMQMF-YUSALJHKSA-N	1	0	369.815	1.880	20	30		FDEDRO
C#CCN(C(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)OC)C1)C1CC[NH+](C)CC1	ZINC000922050626	871592470	/nfs/dbraw/zinc/59/24/70/871592470.db2.gz	HMHHJAZASPHZAX-JKSUJKDBSA-N	1	0	364.490	1.592	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@H]2C)nc1	ZINC000994391400	882548648	/nfs/dbraw/zinc/54/86/48/882548648.db2.gz	WISCKSRZGKNVBL-SOLBZPMBSA-N	1	0	368.481	1.372	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc(-c3cn[nH]c3)cn2)[C@H](OC)C1	ZINC001212481254	871940810	/nfs/dbraw/zinc/94/08/10/871940810.db2.gz	JEHKYXVNUCOSLA-QZTJIDSGSA-N	1	0	355.442	1.867	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2cccc(OCC(=O)NCC)c2)CC1	ZINC000914271721	872105045	/nfs/dbraw/zinc/10/50/45/872105045.db2.gz	HVMGKFNESIMNOY-UHFFFAOYSA-N	1	0	372.469	1.098	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2)C1	ZINC001033498230	882629114	/nfs/dbraw/zinc/62/91/14/882629114.db2.gz	VJNOYOBUYHBKIK-QYZOEREBSA-N	1	0	371.481	1.799	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2snnc2C)[C@@H](n2ccnn2)C1	ZINC001128677582	882632995	/nfs/dbraw/zinc/63/29/95/882632995.db2.gz	OYBUHYYDDFGHKX-BNOWGMLFSA-N	1	0	361.475	1.448	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1	ZINC000423181386	872920079	/nfs/dbraw/zinc/92/00/79/872920079.db2.gz	CHXJJNPTMCNGEZ-FQEVSTJZSA-N	1	0	352.438	1.427	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(CCC)[C@@H]2CC[N@H+](C)C2)cc1	ZINC000649003556	882671296	/nfs/dbraw/zinc/67/12/96/882671296.db2.gz	FWRXAYJSNCHBEA-MRXNPFEDSA-N	1	0	365.499	1.707	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)nnc2C)C[C@H]1C	ZINC001106181086	873018155	/nfs/dbraw/zinc/01/81/55/873018155.db2.gz	HJOALRNHKWGUJW-UHOFOFEASA-N	1	0	359.474	1.082	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1	ZINC000992898457	873140185	/nfs/dbraw/zinc/14/01/85/873140185.db2.gz	LIZQSRCCWVEKOE-NNMXDRDESA-N	1	0	371.525	1.970	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C[NH2+]CCCN2C(=O)CNC2=O)[C@H](C)C1	ZINC001106185705	873177737	/nfs/dbraw/zinc/17/77/37/873177737.db2.gz	XVMLMBSOMNWGQV-HUUCEWRRSA-N	1	0	364.490	1.215	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)/C=C(\C)C2CC2)CC1	ZINC001003362808	873215606	/nfs/dbraw/zinc/21/56/06/873215606.db2.gz	FSYPHLJDXGBNPG-PXKFRTQHSA-N	1	0	369.509	1.936	20	30		FDEDRO
C[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000272190628	873417005	/nfs/dbraw/zinc/41/70/05/873417005.db2.gz	FHHFWNNPZHSYLO-GOEBONIOSA-N	1	0	367.453	1.278	20	30		FDEDRO
CCN1C[C@H](C(=O)N2C[C@@H](C[NH2+]CC#Cc3ccccc3)[C@H](C)C2)CC1=O	ZINC001106200791	873646747	/nfs/dbraw/zinc/64/67/47/873646747.db2.gz	OLYNMHREAABLJQ-MISYRCLQSA-N	1	0	367.493	1.591	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)[C@H](C)C4CC4)C[C@@]3(C)C2)CC1	ZINC000993017269	873691319	/nfs/dbraw/zinc/69/13/19/873691319.db2.gz	CKTCBCDQEHRZDL-PERKRYKHSA-N	1	0	371.525	1.685	20	30		FDEDRO
C[NH+](C)[C@@H](C(=O)N1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@]2(C)C1)C1CC1	ZINC000993023051	873723592	/nfs/dbraw/zinc/72/35/92/873723592.db2.gz	DSQSYHISHCEKNZ-MDYRTPRTSA-N	1	0	369.469	1.147	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2scnc2CC)C[C@H]1C	ZINC001106220204	873943982	/nfs/dbraw/zinc/94/39/82/873943982.db2.gz	MANLHCYIRSVMHR-MGPQQGTHSA-N	1	0	362.499	1.141	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(CCOC)CC2)C[C@H]1C	ZINC001106230642	874030621	/nfs/dbraw/zinc/03/06/21/874030621.db2.gz	XBMJXKDYKXLIKM-OWCLPIDISA-N	1	0	351.491	1.178	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3cncc(OC)n3)[C@H](C)C2)CCC1	ZINC001106237648	874066139	/nfs/dbraw/zinc/06/61/39/874066139.db2.gz	PMZQZBPCZMCBSZ-HZPDHXFCSA-N	1	0	356.470	1.863	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC2(C(F)(F)F)CC2)C[C@H]1C	ZINC001106244558	874093688	/nfs/dbraw/zinc/09/36/88/874093688.db2.gz	PNUPQGWFHAGUQA-CHWSQXEVSA-N	1	0	359.392	1.153	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(N(C)C)cc2F)C[C@H]1C	ZINC001106246849	874105551	/nfs/dbraw/zinc/10/55/51/874105551.db2.gz	SAOVJFJATOPNHR-HZPDHXFCSA-N	1	0	361.461	1.839	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cn3cc(C)nc3s2)C[C@H]1C	ZINC001106247971	874111951	/nfs/dbraw/zinc/11/19/51/874111951.db2.gz	FRWGOILPCPVRKA-UKRRQHHQSA-N	1	0	360.483	1.652	20	30		FDEDRO
CC[C@H](C(=O)N1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@]2(C)C1)[NH+](C)C	ZINC000993071510	874151746	/nfs/dbraw/zinc/15/17/46/874151746.db2.gz	IOZOCJSWXSBAII-OGWOLHLISA-N	1	0	357.458	1.147	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CCc2ncc(Br)n2C1	ZINC001122433441	874216356	/nfs/dbraw/zinc/21/63/56/874216356.db2.gz	YUYKJFMJJIMDOR-QWRGUYRKSA-N	1	0	354.252	1.488	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2n[nH]c(CC)c2Cl)C[C@H]1C	ZINC001106270133	874298532	/nfs/dbraw/zinc/29/85/32/874298532.db2.gz	UYRHAHQFJWHVTP-VXGBXAGGSA-N	1	0	367.881	1.225	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C[C@H]1C	ZINC001106274816	874340799	/nfs/dbraw/zinc/34/07/99/874340799.db2.gz	WRTJZVCIOIDRKI-VBSBHUPXSA-N	1	0	356.466	1.851	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C/C=C\Cc2ccccc2)C[C@H]1C	ZINC001106277646	874359083	/nfs/dbraw/zinc/35/90/83/874359083.db2.gz	QWBLFVSMCLEZPL-HTJOGQSXSA-N	1	0	367.493	1.609	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@]2(C)C1	ZINC000993108298	874432175	/nfs/dbraw/zinc/43/21/75/874432175.db2.gz	XTRBRTVURJRFNB-SYNHAJSKSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc3cc[nH]c3n2)C[C@H]1C	ZINC001106286396	874471933	/nfs/dbraw/zinc/47/19/33/874471933.db2.gz	ZYSWGAWLILDSNI-IIAWOOMASA-N	1	0	369.469	1.551	20	30		FDEDRO
C[C@@H]1CC(N=Nc2ccccc2S(=O)(=O)N2CCOCC2)C[N@@H+]1C	ZINC000761811058	874520051	/nfs/dbraw/zinc/52/00/51/874520051.db2.gz	BWNMKEZTHANJQF-CYBMUJFWSA-N	1	0	352.460	1.199	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnc3cc[nH]c3c2)C[C@H]1C	ZINC001106301177	874612978	/nfs/dbraw/zinc/61/29/78/874612978.db2.gz	MKGITYLWVQWHJM-IIAWOOMASA-N	1	0	369.469	1.551	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2COCCO2)[C@@H](n2ccnn2)C1	ZINC001128715875	882855454	/nfs/dbraw/zinc/85/54/54/882855454.db2.gz	IBBQNUQDNAXULL-IXDOHACOSA-N	1	0	365.478	1.005	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)c2ccncc2)C[C@H]1C	ZINC001106309524	874739369	/nfs/dbraw/zinc/73/93/69/874739369.db2.gz	WGROCBCRABTKKO-JFIYKMOQSA-N	1	0	358.486	1.562	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2nc(C)sc2C)C[C@H]1C	ZINC001106320788	874773671	/nfs/dbraw/zinc/77/36/71/874773671.db2.gz	GOKXJBMXAUCZPR-IUODEOHRSA-N	1	0	364.515	1.289	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C[NH2+]C[C@H](O)COC)[C@H](C)C1	ZINC001106331126	874803977	/nfs/dbraw/zinc/80/39/77/874803977.db2.gz	OKKDXQUUAAEXSM-ZACQAIPSSA-N	1	0	362.470	1.556	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3nc(C)[nH]c3C2)C[C@H]1C	ZINC001106342878	874849627	/nfs/dbraw/zinc/84/96/27/874849627.db2.gz	HKSJLNSQVHDCFL-DJIMGWMZSA-N	1	0	360.502	1.710	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2cccnc2)C[C@H]1C	ZINC001106352349	874875261	/nfs/dbraw/zinc/87/52/61/874875261.db2.gz	ONBXXXAJTRXAIQ-IXDOHACOSA-N	1	0	370.497	1.181	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(-n3ccnc3)n2)C[C@H]1C	ZINC001106354005	874880689	/nfs/dbraw/zinc/88/06/89/874880689.db2.gz	KFQMKIKCVVSHCF-IAGOWNOFSA-N	1	0	367.453	1.215	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(=O)n(CCOC)c2)C[C@H]1C	ZINC001106369943	874955057	/nfs/dbraw/zinc/95/50/57/874955057.db2.gz	DFBUUEHRKYITAW-SJLPKXTDSA-N	1	0	361.486	1.759	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(=O)n(CCOC)c2)C[C@H]1C	ZINC001106370750	874957602	/nfs/dbraw/zinc/95/76/02/874957602.db2.gz	YGSQZVCPZMKULC-SJLPKXTDSA-N	1	0	361.486	1.759	20	30		FDEDRO
CC(C)C[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CSCC#N)[C@@H](n2ccnn2)C1	ZINC001128724165	882881309	/nfs/dbraw/zinc/88/13/09/882881309.db2.gz	SUTHFVNCWOPWEZ-OAGGEKHMSA-N	1	0	364.519	1.559	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc3cnccc3o2)C[C@H]1C	ZINC001106378373	874989610	/nfs/dbraw/zinc/98/96/10/874989610.db2.gz	OQURLZOONUXRQW-IIAWOOMASA-N	1	0	370.453	1.816	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3cccnc32)C[C@H]1C	ZINC001106382794	875014772	/nfs/dbraw/zinc/01/47/72/875014772.db2.gz	UHOHIBGOOZWTKT-NVXWUHKLSA-N	1	0	366.465	1.835	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COc3ccccc3C2)C[C@H]1C	ZINC001106396241	875066924	/nfs/dbraw/zinc/06/69/24/875066924.db2.gz	IATQPQATBIOYMV-NZSAHSFTSA-N	1	0	356.466	1.572	20	30		FDEDRO
CCCCc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)cc1	ZINC001106395489	875085773	/nfs/dbraw/zinc/08/57/73/875085773.db2.gz	VEAKIGWHTFDIHY-VQIMIIECSA-N	1	0	370.497	1.967	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ncn2)C[C@H]1C	ZINC001106415815	875182790	/nfs/dbraw/zinc/18/27/90/875182790.db2.gz	QGESKZJQIDTCMZ-CHWSQXEVSA-N	1	0	370.375	1.443	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ncc(Cl)s2)C[C@H]1C	ZINC001106421096	875210307	/nfs/dbraw/zinc/21/03/07/875210307.db2.gz	WMLAITBUAIVKPF-GHMZBOCLSA-N	1	0	356.879	1.396	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CCC(F)F)C[C@H]1C	ZINC001106436512	875289766	/nfs/dbraw/zinc/28/97/66/875289766.db2.gz	QQZLIWKMJXVIKR-ZIAGYGMSSA-N	1	0	358.433	1.478	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN2CCCCS2(=O)=O)C[C@H]1C	ZINC001106433828	875297701	/nfs/dbraw/zinc/29/77/01/875297701.db2.gz	SJGAJYBOZOSGIP-IXDOHACOSA-N	1	0	371.547	1.451	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3ccncc3n2)C[C@H]1C	ZINC001106440334	875307734	/nfs/dbraw/zinc/30/77/34/875307734.db2.gz	BKMKEJJXTIXROM-GDBMZVCRSA-N	1	0	367.453	1.230	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(COC)CCC2)C[C@H]1C	ZINC001106440351	875308870	/nfs/dbraw/zinc/30/88/70/875308870.db2.gz	CNLMXGVAHXTLQM-OWCLPIDISA-N	1	0	351.491	1.178	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC(C)(C)CC(F)F)C[C@H]1C	ZINC001106451854	875366970	/nfs/dbraw/zinc/36/69/70/875366970.db2.gz	HKOCYVUCPWENOH-ZIAGYGMSSA-N	1	0	357.445	1.491	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3nc(C)nn3C2)C[C@H]1C	ZINC001106461505	875474311	/nfs/dbraw/zinc/47/43/11/875474311.db2.gz	ARVSNBKXZCUCKB-DJIMGWMZSA-N	1	0	361.490	1.036	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3nc(C)nn3C2)C[C@H]1C	ZINC001106464038	875490021	/nfs/dbraw/zinc/49/00/21/875490021.db2.gz	BBQAGCOTNLTQPF-BYCMXARLSA-N	1	0	351.882	1.586	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cn(C)nc2[C@H]2CCOC2)C[C@H]1C	ZINC001106483275	875598336	/nfs/dbraw/zinc/59/83/36/875598336.db2.gz	UUTUNWWCHDJFOZ-VHDGCEQUSA-N	1	0	366.893	1.974	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)NCc1ccc(F)cc1)C2	ZINC001112542647	882945823	/nfs/dbraw/zinc/94/58/23/882945823.db2.gz	JYDRNNWHDMDZDA-UWJYYQICSA-N	1	0	371.456	1.684	20	30		FDEDRO
C[C@@]12CN(C(=O)C#CC3CC3)C[C@@H]1CN(C(=O)c1ccn3c[nH+]cc3c1)C2	ZINC000993184151	875623136	/nfs/dbraw/zinc/62/31/36/875623136.db2.gz	KGHNRIWDAYKREL-UTKZUKDTSA-N	1	0	362.433	1.668	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc3cn[nH]c32)C[C@H]1C	ZINC001106509593	875769303	/nfs/dbraw/zinc/76/93/03/875769303.db2.gz	MUJACIQQELVBFK-IJEWVQPXSA-N	1	0	369.469	1.551	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2OCCc3ccccc32)C[C@H]1C	ZINC001106510010	875773608	/nfs/dbraw/zinc/77/36/08/875773608.db2.gz	XAROIRCFGYISFJ-POAQFYNOSA-N	1	0	356.466	1.634	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC2CC2)[C@H](C)C1	ZINC001106517436	875811972	/nfs/dbraw/zinc/81/19/72/875811972.db2.gz	FEFSTPMJRYQQIM-ZIAGYGMSSA-N	1	0	364.490	1.261	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCOCC2)[C@H](C)C1	ZINC001106517913	875814706	/nfs/dbraw/zinc/81/47/06/875814706.db2.gz	ZDDVGTABWJGYAG-HZPDHXFCSA-N	1	0	351.491	1.132	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)COCCOC)[C@H](C)C1	ZINC001106533562	875885172	/nfs/dbraw/zinc/88/51/72/875885172.db2.gz	AGXSWXJFOVFQFS-QRVBRYPASA-N	1	0	368.518	1.278	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2c(C)cnn2C)C[C@H]1C	ZINC001106543883	875920549	/nfs/dbraw/zinc/92/05/49/875920549.db2.gz	TYRYZJNWLBCUEX-DGCLKSJQSA-N	1	0	355.280	1.935	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCO[C@@H](C)C2)[C@H](C)C1	ZINC001106556098	875945820	/nfs/dbraw/zinc/94/58/20/875945820.db2.gz	FPQMYGPPQWNHIS-FGTMMUONSA-N	1	0	363.502	1.111	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc[nH]c2C(C)C)C[C@H]1C	ZINC001106569400	875982194	/nfs/dbraw/zinc/98/21/94/875982194.db2.gz	ILSMITMVRZTQTJ-BZUAXINKSA-N	1	0	358.486	1.574	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106573411	875990646	/nfs/dbraw/zinc/99/06/46/875990646.db2.gz	UEKYDVMBAVPCNT-BHIYHBOVSA-N	1	0	353.466	1.343	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](c2ccncc2)C(C)C)C[C@H]1C	ZINC001106581725	876028301	/nfs/dbraw/zinc/02/83/01/876028301.db2.gz	LWSBZXMCVBVKCD-YVWKXTFCSA-N	1	0	370.497	1.255	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(OC)cc2C)C[C@H]1C	ZINC001106609762	876181217	/nfs/dbraw/zinc/18/12/17/876181217.db2.gz	NHCSBVJVDXKYEH-HZPDHXFCSA-N	1	0	359.470	1.604	20	30		FDEDRO
N#Cc1cccc(CN2C[C@@H](NC(=O)c3ccc4c(c3)COC4)[C@@H](O)C2)c1	ZINC001083856022	883007898	/nfs/dbraw/zinc/00/78/98/883007898.db2.gz	KWQKPPAIHCDURE-UXHICEINSA-N	1	0	363.417	1.564	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(=O)NCC)[C@H](C)C2)CC1	ZINC001106628231	876270988	/nfs/dbraw/zinc/27/09/88/876270988.db2.gz	IHOKGTNSPNZOKC-GDBMZVCRSA-N	1	0	364.490	1.263	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C[NH2+]C[C@@H](O)COCCOC)[C@H](C)C2)CC1	ZINC001106628881	876273782	/nfs/dbraw/zinc/27/37/82/876273782.db2.gz	YVFFSNBVRZGMOX-BHIYHBOVSA-N	1	0	368.518	1.441	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NCCC)[C@H](C)C1	ZINC001106629669	876279374	/nfs/dbraw/zinc/27/93/74/876279374.db2.gz	RYXIFIHZNLPDGB-CLCXKQKWSA-N	1	0	366.506	1.509	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]C[C@H](O)Cn3cccn3)[C@H](C)C2)CCC1	ZINC001106632550	876280108	/nfs/dbraw/zinc/28/01/08/876280108.db2.gz	SWNHJOGZNCPEOC-KURKYZTESA-N	1	0	360.502	1.675	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C(C)C)[C@H](C)C2)c1	ZINC001106650461	876388429	/nfs/dbraw/zinc/38/84/29/876388429.db2.gz	OLYRJMXTRRYAJM-JTDSTZFVSA-N	1	0	370.497	1.616	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(CF)CC2)C[C@H]1C	ZINC001106652971	876398079	/nfs/dbraw/zinc/39/80/79/876398079.db2.gz	RRQGSXAQAWKVJP-HUUCEWRRSA-N	1	0	352.454	1.182	20	30		FDEDRO
Cc1ccn(CC(=O)N2C[C@@H](C[NH2+]CC#Cc3ccccc3)[C@H](C)C2)n1	ZINC001106676675	876542763	/nfs/dbraw/zinc/54/27/63/876542763.db2.gz	YMTLOWVKVXKATA-YLJYHZDGSA-N	1	0	350.466	1.927	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)OCc2ccncc2)C[C@H]1C	ZINC001106680460	876547985	/nfs/dbraw/zinc/54/79/85/876547985.db2.gz	QQTSYEFIGJJJCZ-ZHALLVOQSA-N	1	0	359.470	1.321	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3nnnn3CC2)C[C@H]1C	ZINC001106682297	876552714	/nfs/dbraw/zinc/55/27/14/876552714.db2.gz	BYEVMCGULAEOMG-MRVWCRGKSA-N	1	0	352.870	1.062	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C)O2)C[C@H]1C	ZINC001106683703	876556476	/nfs/dbraw/zinc/55/64/76/876556476.db2.gz	RTCZMKKEKJCDMM-BRSBDYLESA-N	1	0	365.518	1.663	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3cc[nH]c32)C[C@H]1C	ZINC001106687642	876565995	/nfs/dbraw/zinc/56/59/95/876565995.db2.gz	XMVFUBLNWHUABB-GDBMZVCRSA-N	1	0	352.438	1.215	20	30		FDEDRO
Cc1ccc(N2C[C@H](C(=O)NC3(C#N)CC[NH+](C)CC3)CC2=O)cc1F	ZINC000917125805	883065716	/nfs/dbraw/zinc/06/57/16/883065716.db2.gz	CWPZVJITPHNJBC-CQSZACIVSA-N	1	0	358.417	1.591	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(F)(F)F)[C@H](C)C1	ZINC001106708616	876916820	/nfs/dbraw/zinc/91/68/20/876916820.db2.gz	BSWJDRKPTKVREY-CHWSQXEVSA-N	1	0	363.424	1.951	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccnc(C3CC3)n2)C[C@H]1C	ZINC001106721146	876955726	/nfs/dbraw/zinc/95/57/26/876955726.db2.gz	UMGVBIQRGARWPV-IJEWVQPXSA-N	1	0	371.485	1.342	20	30		FDEDRO
COCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1	ZINC001106723997	876980009	/nfs/dbraw/zinc/98/00/09/876980009.db2.gz	XQJCZMRTYMYPFA-GPMSIDNRSA-N	1	0	359.470	1.794	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@]2(C)C1	ZINC000993320663	877201310	/nfs/dbraw/zinc/20/13/10/877201310.db2.gz	ABFVNNRPCQTLTJ-MUKKUYKPSA-N	1	0	358.442	1.421	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2cc(C)on2)[C@H](C)C1	ZINC001106732978	877265014	/nfs/dbraw/zinc/26/50/14/877265014.db2.gz	CYXQFKJZKSSMCW-MZMPZRCHSA-N	1	0	362.474	1.638	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2nc(C)no2)[C@H](C)C1	ZINC001106733533	877272850	/nfs/dbraw/zinc/27/28/50/877272850.db2.gz	YMPVKMWKROWFHQ-WQVCFCJDSA-N	1	0	363.462	1.033	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2ocnc2C)[C@H](C)C1	ZINC001106734361	877281464	/nfs/dbraw/zinc/28/14/64/877281464.db2.gz	XHIWBXMMZCLNMS-XYPHTWIQSA-N	1	0	362.474	1.638	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](CC)C(N)=O)[C@H](C)C2)cc1	ZINC001106740514	877406159	/nfs/dbraw/zinc/40/61/59/877406159.db2.gz	SEXUAZGATSWWKY-KYJSFNMBSA-N	1	0	357.454	1.260	20	30		FDEDRO
COC(=O)CCNC(=O)CC[NH2+]Cc1cc(C#N)ccc1Br	ZINC000922294983	877415267	/nfs/dbraw/zinc/41/52/67/877415267.db2.gz	UBKTYKNTYSGNMD-UHFFFAOYSA-N	1	0	368.231	1.480	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@]2(C)C1	ZINC000993344904	877433444	/nfs/dbraw/zinc/43/34/44/877433444.db2.gz	FXCAKODMXKWZRM-ZUEVXXBESA-N	1	0	351.410	1.414	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000272496308	877651576	/nfs/dbraw/zinc/65/15/76/877651576.db2.gz	GBFANRXVOLOAOS-IRXDYDNUSA-N	1	0	355.442	1.447	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(CNC(C)=O)o2)C[C@H]1C	ZINC001106769427	877677292	/nfs/dbraw/zinc/67/72/92/877677292.db2.gz	VQALFICVBULCTM-GDBMZVCRSA-N	1	0	363.458	1.416	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNc2cccc(S(N)(=O)=O)c2C#N)CCCO1	ZINC000763056439	877677978	/nfs/dbraw/zinc/67/79/78/877677978.db2.gz	LHWPXQFSYKKIOR-CYBMUJFWSA-N	1	0	352.460	1.118	20	30		FDEDRO
CCC(=O)Nc1ccccc1C(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1	ZINC001106780911	877805088	/nfs/dbraw/zinc/80/50/88/877805088.db2.gz	MGFGYHRAVXOEBF-IAGOWNOFSA-N	1	0	371.481	1.983	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cc(C(F)(F)F)ccn1	ZINC000194066459	878019079	/nfs/dbraw/zinc/01/90/79/878019079.db2.gz	PZZQXRJCAKUADM-UHFFFAOYSA-N	1	0	371.363	1.733	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cccc(-n3cncn3)n2)C[C@H]1C	ZINC001106815234	878231697	/nfs/dbraw/zinc/23/16/97/878231697.db2.gz	RCAFLOZKRDCTLQ-HZPDHXFCSA-N	1	0	370.457	1.163	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccncc2OC[C@@H]2CCOC2)CC1	ZINC000922499521	878348617	/nfs/dbraw/zinc/34/86/17/878348617.db2.gz	ZHGHPIAUUYZSKA-MRXNPFEDSA-N	1	0	372.469	1.394	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC/C=C/CNC(=O)OC(C)(C)C)CC1	ZINC000922512754	878424560	/nfs/dbraw/zinc/42/45/60/878424560.db2.gz	VUZXAEFNSXTAQO-VOTSOKGWSA-N	1	0	350.463	1.464	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1	ZINC000673594477	878785207	/nfs/dbraw/zinc/78/52/07/878785207.db2.gz	OYNDVLGWKNRGAT-SFHVURJKSA-N	1	0	365.518	1.666	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(C(N)=O)c2)C1	ZINC001033085825	878818819	/nfs/dbraw/zinc/81/88/19/878818819.db2.gz	BMJLAXCZVJWPEA-QRVBRYPASA-N	1	0	371.481	1.799	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N(C)Cc1ncc(Br)cn1	ZINC000922627482	878846189	/nfs/dbraw/zinc/84/61/89/878846189.db2.gz	MGNYQIOWLPBXMC-UHFFFAOYSA-N	1	0	354.252	1.336	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCc2nnc(C[NH2+]CCC)n2CC1	ZINC001128054084	912397193	/nfs/dbraw/zinc/39/71/93/912397193.db2.gz	JRNVFLINEXXZMA-VKJFTORMSA-N	1	0	361.490	1.580	20	30		FDEDRO
Cc1cc(C=N[S@](=O)C(C)(C)C)cc(NC(=[NH2+])N2CCN(C)CC2)n1	ZINC001168735979	879555992	/nfs/dbraw/zinc/55/59/92/879555992.db2.gz	JGDPAFVJUNHFIZ-KWSQCTBMSA-N	1	0	364.519	1.865	20	30		FDEDRO
O=C(C#Cc1ccc2c(c1)OCO2)N1CCC([NH2+]C2CCOCC2)CC1	ZINC000922869691	879571096	/nfs/dbraw/zinc/57/10/96/879571096.db2.gz	KTYQCPGLMQOAQB-UHFFFAOYSA-N	1	0	356.422	1.526	20	30		FDEDRO
C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCO[C@H]3c3nccn3C)CC[C@@H]2C1	ZINC000946627737	879866944	/nfs/dbraw/zinc/86/69/44/879866944.db2.gz	CVUYIUXSYHIYID-FCGDIQPGSA-N	1	0	370.497	1.691	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2OC)C1	ZINC000946632567	879918856	/nfs/dbraw/zinc/91/88/56/879918856.db2.gz	HKSQNQVRCGKHHC-HZPDHXFCSA-N	1	0	363.502	1.417	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)[C@H](C)C1	ZINC000993880968	879953128	/nfs/dbraw/zinc/95/31/28/879953128.db2.gz	WHSXCLVFPHCROB-QGPMSJSTSA-N	1	0	371.485	1.585	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C[C@H]2OC)C1	ZINC000946635415	879957742	/nfs/dbraw/zinc/95/77/42/879957742.db2.gz	POORBCBMZZCLPQ-IXDOHACOSA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)C3=CCCC3)[C@H](C)C2)CC1	ZINC000993890678	879983641	/nfs/dbraw/zinc/98/36/41/879983641.db2.gz	UHRUTGNCNXIEKP-VQIMIIECSA-N	1	0	357.498	1.653	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC000993865240	880022108	/nfs/dbraw/zinc/02/21/08/880022108.db2.gz	WWZQXUIWRZJOMM-NVXWUHKLSA-N	1	0	371.485	1.587	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)[C@H](C)C1	ZINC000993907346	880111405	/nfs/dbraw/zinc/11/14/05/880111405.db2.gz	CFTFTRMBYRNGNP-RKVPGOIHSA-N	1	0	371.485	1.585	20	30		FDEDRO
C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000272710345	880357916	/nfs/dbraw/zinc/35/79/16/880357916.db2.gz	CMHZOVRAXSRJDY-QZTJIDSGSA-N	1	0	369.469	1.789	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)CC[N@@H+]1C	ZINC000994089356	880637470	/nfs/dbraw/zinc/63/74/70/880637470.db2.gz	VHDKPDITASHYNI-NYCLONFESA-N	1	0	371.485	1.441	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)[C@H]3CC3(C)C)C[C@H]2C)CC1	ZINC000994137222	880897317	/nfs/dbraw/zinc/89/73/17/880897317.db2.gz	QQLGCGBPXQHXQU-KBAYOESNSA-N	1	0	359.514	1.588	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)CC(C)(C)C)C[C@H]2C)CC1	ZINC000994137259	880899323	/nfs/dbraw/zinc/89/93/23/880899323.db2.gz	RFBCLUANPHGAOL-SJLPKXTDSA-N	1	0	361.530	1.979	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1	ZINC000994218964	881060556	/nfs/dbraw/zinc/06/05/56/881060556.db2.gz	OUKYEFBIAIWFPQ-DDBAPUKQSA-N	1	0	363.502	1.130	20	30		FDEDRO
COCCCOCC(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1	ZINC001106849105	881089071	/nfs/dbraw/zinc/08/90/71/881089071.db2.gz	BAJKKQSNTANNSP-VQIMIIECSA-N	1	0	359.470	1.795	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3C)[C@H](C)C2)cn1	ZINC000994242016	881266977	/nfs/dbraw/zinc/26/69/77/881266977.db2.gz	UZPOJUIKEBHFOX-SZVBFZGTSA-N	1	0	368.481	1.372	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)CC[C@@H]2C1	ZINC000946678276	881294470	/nfs/dbraw/zinc/29/44/70/881294470.db2.gz	XFIHMSOLEWXXSX-XDNAFOTISA-N	1	0	363.502	1.546	20	30		FDEDRO
C=CCOCC(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001060693044	883239054	/nfs/dbraw/zinc/23/90/54/883239054.db2.gz	MGONEPUSNDFVLH-QBPKDAKJSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001128816819	883733738	/nfs/dbraw/zinc/73/37/38/883733738.db2.gz	QKOOAKYZBILFSJ-FGTMMUONSA-N	1	0	355.442	1.319	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001128817279	883734289	/nfs/dbraw/zinc/73/42/89/883734289.db2.gz	ZECLJMURYWMYBW-OTWHNJEPSA-N	1	0	369.469	1.189	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NC(=O)CNc2ccc(C#N)cn2)[C@@H](C)C1	ZINC000497881371	883822417	/nfs/dbraw/zinc/82/24/17/883822417.db2.gz	RGFPFQLKWMNRBY-RDJZCZTQSA-N	1	0	359.474	1.618	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1	ZINC000917902709	883908007	/nfs/dbraw/zinc/90/80/07/883908007.db2.gz	DACUZTPMISYSIF-HNNXBMFYSA-N	1	0	364.490	1.735	20	30		FDEDRO
C[NH+]1CCN(CC2CN(S(=O)(=O)c3ccc(Cl)cc3C#N)C2)CC1	ZINC000917902647	883908235	/nfs/dbraw/zinc/90/82/35/883908235.db2.gz	BJVGPDFWZFOSJD-UHFFFAOYSA-N	1	0	368.890	1.080	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCCN1C(=O)C[NH+]1CCCC1	ZINC001005524985	883958422	/nfs/dbraw/zinc/95/84/22/883958422.db2.gz	CWGHZIGAIHMCFL-KURKYZTESA-N	1	0	363.502	1.561	20	30		FDEDRO
C#CCN(C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[C@@H]1CCCc2ccccc21	ZINC000917972152	883969444	/nfs/dbraw/zinc/96/94/44/883969444.db2.gz	MDPSWZZWGGPHSX-AZUAARDMSA-N	1	0	354.498	1.955	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O	ZINC001083999164	912782569	/nfs/dbraw/zinc/78/25/69/912782569.db2.gz	BPYNQMJYLSHKJU-UXHICEINSA-N	1	0	356.466	1.188	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@@H]1n1ccnn1	ZINC001128930086	884150220	/nfs/dbraw/zinc/15/02/20/884150220.db2.gz	QTZRIIXCBIYHDT-ZIFCJYIRSA-N	1	0	361.490	1.527	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@@H+](CCc2ccccc2F)C[C@@H]1n1ccnn1	ZINC001128939392	884180940	/nfs/dbraw/zinc/18/09/40/884180940.db2.gz	OQRUEBBSQCRJPI-MOPGFXCFSA-N	1	0	369.444	1.805	20	30		FDEDRO
N#Cc1ccc(CN2CCCC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1F	ZINC001034399144	884297349	/nfs/dbraw/zinc/29/73/49/884297349.db2.gz	NWMWVWCOGGEQFY-OAGGEKHMSA-N	1	0	358.417	1.289	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001061749827	884349486	/nfs/dbraw/zinc/34/94/86/884349486.db2.gz	MLIVLNJLBWNPLI-IXDOHACOSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(C)nn2)[C@@H](n2ccnn2)C1	ZINC001128966573	884477621	/nfs/dbraw/zinc/47/76/21/884477621.db2.gz	CKONVHWRGQRNQU-OIISXLGYSA-N	1	0	355.446	1.387	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCCC2CCC2)C[C@@H]1n1ccnn1	ZINC001128966555	884477802	/nfs/dbraw/zinc/47/78/02/884477802.db2.gz	BSPQZQWCIZREQC-ZIFCJYIRSA-N	1	0	361.490	1.527	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](CCCCCCC)C[C@@H]1n1ccnn1	ZINC001128976029	884542866	/nfs/dbraw/zinc/54/28/66/884542866.db2.gz	GCMQBYHNURAIQO-MSOLQXFVSA-N	1	0	361.490	1.630	20	30		FDEDRO
CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)[C@@H](n2ccnn2)C1	ZINC001128980125	884569273	/nfs/dbraw/zinc/56/92/73/884569273.db2.gz	OLKIPTZPGIQUEZ-SJORKVTESA-N	1	0	361.490	1.484	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1	ZINC001034642943	884602256	/nfs/dbraw/zinc/60/22/56/884602256.db2.gz	HUNZJOMORPJBOB-KCYZZUKISA-N	1	0	360.389	1.880	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)ccc1F	ZINC001034643700	884603552	/nfs/dbraw/zinc/60/35/52/884603552.db2.gz	RKZDXLPDQJMIMC-KCYZZUKISA-N	1	0	360.389	1.880	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2nncn2C)CC1	ZINC001034648282	884615283	/nfs/dbraw/zinc/61/52/83/884615283.db2.gz	CGBINZHOYMOSSQ-HHARLNAUSA-N	1	0	361.490	1.874	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCOCC2CC2)[C@@H](n2ccnn2)C1	ZINC001128984921	884694548	/nfs/dbraw/zinc/69/45/48/884694548.db2.gz	CFMCKYKAMWRVQY-NXHRZFHOSA-N	1	0	361.490	1.791	20	30		FDEDRO
CC#CCCCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001061790571	884867914	/nfs/dbraw/zinc/86/79/14/884867914.db2.gz	LZUDOJPYNFIFLV-OKZBNKHCSA-N	1	0	363.502	1.254	20	30		FDEDRO
C[NH+]1CCN(CCC(=O)Nc2ncc(C#N)cc2Br)CC1	ZINC001143223920	884974094	/nfs/dbraw/zinc/97/40/94/884974094.db2.gz	KSQCPLROLUILHV-UHFFFAOYSA-N	1	0	352.236	1.292	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ccc(C(N)=O)cc2)C1	ZINC000999539561	912910654	/nfs/dbraw/zinc/91/06/54/912910654.db2.gz	NAEFZXHZBWGMNZ-BTRQGYIVSA-N	1	0	371.481	1.846	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@@H]1n1ccnn1	ZINC001129029373	885337643	/nfs/dbraw/zinc/33/76/43/885337643.db2.gz	DCDACKZDOQSNLM-BBWFWOEESA-N	1	0	361.490	1.791	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1n1ccnn1)OCC	ZINC001129030133	885345348	/nfs/dbraw/zinc/34/53/48/885345348.db2.gz	RLGKTDJXIYFIKL-SQNIBIBYSA-N	1	0	361.490	1.791	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001034960234	885357611	/nfs/dbraw/zinc/35/76/11/885357611.db2.gz	WEONYAHDYPWTDE-XCRHUMRWSA-N	1	0	361.417	1.582	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1n1ccnn1	ZINC001129032572	885366632	/nfs/dbraw/zinc/36/66/32/885366632.db2.gz	QEYZYGATNRFMIZ-CVEARBPZSA-N	1	0	360.487	1.675	20	30		FDEDRO
C#CCN(C(=O)NCc1cc(C(=O)OC)c(C)n1C)C1CC[NH+](C)CC1	ZINC000924019690	885470815	/nfs/dbraw/zinc/47/08/15/885470815.db2.gz	MHMXIULXBNMGNV-UHFFFAOYSA-N	1	0	360.458	1.359	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CNCc1nnc(C)n1C1CC1	ZINC001035053572	885559043	/nfs/dbraw/zinc/55/90/43/885559043.db2.gz	AUUBQAQYEKKUOA-ZACQAIPSSA-N	1	0	359.474	1.593	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](n2ccnn2)C1	ZINC001129054536	885586530	/nfs/dbraw/zinc/58/65/30/885586530.db2.gz	HHCSCWHUWPWAMU-CVEARBPZSA-N	1	0	371.445	1.175	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(OC)nn1	ZINC001035074595	885603227	/nfs/dbraw/zinc/60/32/27/885603227.db2.gz	BHHOVGRHNHVYRU-RYRKJORJSA-N	1	0	360.458	1.547	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)C2CC(OC)C2)[C@@H](n2ccnn2)C1	ZINC001129064666	885627214	/nfs/dbraw/zinc/62/72/14/885627214.db2.gz	KSPDCXRDQHYLSZ-HIEASXQVSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCn3nccc32)[C@@H](n2ccnn2)C1	ZINC001129078726	885685995	/nfs/dbraw/zinc/68/59/95/885685995.db2.gz	DNJVBNCWCIBYQZ-NUJGCVRESA-N	1	0	369.473	1.360	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)CCc2nc(C)cs2)[C@@H](n2ccnn2)C1	ZINC001129103316	885700277	/nfs/dbraw/zinc/70/02/77/885700277.db2.gz	KDHKMSSXQHNXJN-CABCVRRESA-N	1	0	360.487	1.593	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccn3ccnc3c2)[C@@H](n2ccnn2)C1	ZINC001129103957	885703806	/nfs/dbraw/zinc/70/38/06/885703806.db2.gz	XKNHLHUXPLHDTP-SJORKVTESA-N	1	0	365.441	1.547	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3nccn3C2)[C@@H](n2ccnn2)C1	ZINC001129084511	885710300	/nfs/dbraw/zinc/71/03/00/885710300.db2.gz	MPDVVDPEBAHQBT-BBWFWOEESA-N	1	0	369.473	1.045	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2c(C)cc(=O)oc2C)[C@@H](n2ccnn2)C1	ZINC001129093190	885721424	/nfs/dbraw/zinc/72/14/24/885721424.db2.gz	BGPRNLXCBWHLQX-CVEARBPZSA-N	1	0	371.441	1.470	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ncc3ccccn32)[C@@H](n2ccnn2)C1	ZINC001129098390	885729644	/nfs/dbraw/zinc/72/96/44/885729644.db2.gz	LNESXVSQZWHJLG-SJORKVTESA-N	1	0	365.441	1.547	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC[N@@H+]([C@H](C)C(=O)NC)C2)CC1	ZINC001035185924	885735054	/nfs/dbraw/zinc/73/50/54/885735054.db2.gz	MCZKILKYXFRQPC-ZACQAIPSSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)NCCC)[C@H](C)C2)nc1	ZINC001106894670	885769109	/nfs/dbraw/zinc/76/91/09/885769109.db2.gz	RTTSJSNMCVGPHS-BFYDXBDKSA-N	1	0	356.470	1.275	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](CCC(=C)C)C[C@@H]1n1ccnn1	ZINC001129127903	885821373	/nfs/dbraw/zinc/82/13/73/885821373.db2.gz	NAWMMNMFAKVZPE-AOIWGVFYSA-N	1	0	361.490	1.815	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2[nH]nnc2C)[C@@H](n2ccnn2)C1	ZINC001129144304	885862238	/nfs/dbraw/zinc/86/22/38/885862238.db2.gz	MXKAUGDNJLPXJH-CABCVRRESA-N	1	0	360.466	1.330	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)N(CC)CC)[C@H](C)C2)cn1	ZINC001106895477	885907937	/nfs/dbraw/zinc/90/79/37/885907937.db2.gz	PZGGZVHRHRSKFD-SOLBZPMBSA-N	1	0	370.497	1.618	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCC2CCOCC2)CCO1	ZINC001035371043	885928116	/nfs/dbraw/zinc/92/81/16/885928116.db2.gz	UWNYVGQWPJKHNH-QRVBRYPASA-N	1	0	366.502	1.601	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1)C1CC[NH+](C)CC1	ZINC000919650513	885978295	/nfs/dbraw/zinc/97/82/95/885978295.db2.gz	ANMSYXKUBJCEBV-OAHLLOKOSA-N	1	0	358.490	1.455	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1	ZINC001129185069	886081537	/nfs/dbraw/zinc/08/15/37/886081537.db2.gz	IHKCCQVOWVNJIJ-PBHICJAKSA-N	1	0	352.442	1.313	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1n1ccnn1	ZINC001129189226	886119666	/nfs/dbraw/zinc/11/96/66/886119666.db2.gz	KBLIVJNMNSRYEB-KURKYZTESA-N	1	0	359.474	1.240	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N(C)C)c1	ZINC000900001781	886227240	/nfs/dbraw/zinc/22/72/40/886227240.db2.gz	VWWODHYXPABTQM-UHFFFAOYSA-N	1	0	369.487	1.782	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H](C)Nc3ccnc(C#N)n3)CC2)CC[N@@H+]1C	ZINC001061890383	886228362	/nfs/dbraw/zinc/22/83/62/886228362.db2.gz	YWDAQOMXDABURF-HYVNUMGLSA-N	1	0	370.501	1.539	20	30		FDEDRO
C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)CC2	ZINC001035735056	886398505	/nfs/dbraw/zinc/39/85/05/886398505.db2.gz	ZJLCOPXJFUUNMG-KGLIPLIRSA-N	1	0	360.376	1.280	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(C[NH+](CCn3cncn3)C2)CC1	ZINC001035815834	886469554	/nfs/dbraw/zinc/46/95/54/886469554.db2.gz	ATGUWJDGWGWMHK-IRXDYDNUSA-N	1	0	359.474	1.184	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC1	ZINC000919964538	886469811	/nfs/dbraw/zinc/46/98/11/886469811.db2.gz	ZJWWGPBFFQKIRZ-UHFFFAOYSA-N	1	0	369.465	1.120	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(c3nnc4ccccn43)CC2)CC1	ZINC000919964903	886471505	/nfs/dbraw/zinc/47/15/05/886471505.db2.gz	MOYPSIUPCHVKRC-UHFFFAOYSA-N	1	0	351.454	1.781	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001129209947	886568407	/nfs/dbraw/zinc/56/84/07/886568407.db2.gz	LUQVWUTVWAEGFW-CEXWTWQISA-N	1	0	369.469	1.710	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ccsc1C#N)C2	ZINC000920272939	886791396	/nfs/dbraw/zinc/79/13/96/886791396.db2.gz	ADAIJKXSIDDHNX-AVRGHOLYSA-N	1	0	369.512	1.378	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)CCC=C)C[C@@H]2n2ccnn2)c1	ZINC001129252542	886881687	/nfs/dbraw/zinc/88/16/87/886881687.db2.gz	BWJIZNSRDLUBAZ-IPELMVKDSA-N	1	0	364.453	1.664	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ccc(C)cc3)C2=O)CC1	ZINC000920389256	886896052	/nfs/dbraw/zinc/89/60/52/886896052.db2.gz	CDHPSEIKOJGWOG-SFHVURJKSA-N	1	0	354.454	1.497	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(CC[N@@H+](C)[C@@H]2CCNC2=O)CC1	ZINC001036604228	886905164	/nfs/dbraw/zinc/90/51/64/886905164.db2.gz	AVRQBFDDNXNIJR-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1	ZINC000920423653	886924692	/nfs/dbraw/zinc/92/46/92/886924692.db2.gz	WLMYNNWOQALIEH-CABCVRRESA-N	1	0	352.479	1.984	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@@H](n2ccnn2)C1	ZINC001129258447	886944938	/nfs/dbraw/zinc/94/49/38/886944938.db2.gz	ZQPXWXLZSLMCQB-OAGGEKHMSA-N	1	0	368.913	1.493	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2ccc(C)n2)[C@@H](n2ccnn2)C1	ZINC001129262911	886988485	/nfs/dbraw/zinc/98/84/85/886988485.db2.gz	VXVPPFBEWGQWGH-ZACQAIPSSA-N	1	0	357.462	1.179	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCCCN1C(=O)CC[NH+](C)C	ZINC001062339150	887056713	/nfs/dbraw/zinc/05/67/13/887056713.db2.gz	PBYNGTUKHLXWEO-AOIWGVFYSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)CC[N@@H+](C)CC	ZINC001062353749	887070200	/nfs/dbraw/zinc/07/02/00/887070200.db2.gz	COCVPZSEWCOYNT-ZACQAIPSSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1	ZINC001062354935	887074582	/nfs/dbraw/zinc/07/45/82/887074582.db2.gz	YCSONIVLLFYKSR-KURKYZTESA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000920893229	887276978	/nfs/dbraw/zinc/27/69/78/887276978.db2.gz	YHMRPFBQHPLQCV-RTBURBONSA-N	1	0	359.470	1.115	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)Nc3ccn(CCC#N)n3)CC2)CC1	ZINC000330143362	887593571	/nfs/dbraw/zinc/59/35/71/887593571.db2.gz	YUXWCDUXROKJGV-UHFFFAOYSA-N	1	0	359.478	1.681	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC([C@@H](C)NC(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC001005866702	887795948	/nfs/dbraw/zinc/79/59/48/887795948.db2.gz	OOVPKOFGBLAUOI-ISTRZQFTSA-N	1	0	357.458	1.193	20	30		FDEDRO
C=C(C)COCCNC(=O)N[C@@H]1C[C@@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O	ZINC000921480433	888053772	/nfs/dbraw/zinc/05/37/72/888053772.db2.gz	JHTMUULRINPXBK-MTNOOBJLSA-N	1	0	353.507	1.748	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCO[C@H]2c2ccncc2)s1	ZINC001127554381	888054736	/nfs/dbraw/zinc/05/47/36/888054736.db2.gz	UFEASXXRBGCORH-SJORKVTESA-N	1	0	356.451	1.998	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCCCC(F)(F)F)C[C@H]1OC	ZINC001212257940	888072630	/nfs/dbraw/zinc/07/26/30/888072630.db2.gz	KPSHVWAASYCICZ-BFHYXJOUSA-N	1	0	350.381	1.573	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC([C@@H](C)NC(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC001005937502	888157212	/nfs/dbraw/zinc/15/72/12/888157212.db2.gz	GQCRQOVONWVYMP-ISTRZQFTSA-N	1	0	357.458	1.193	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(C)CC(=C)C2)C3)CC1	ZINC001005958128	888219719	/nfs/dbraw/zinc/21/97/19/888219719.db2.gz	HWKYQZYTVWICSN-QRVBRYPASA-N	1	0	369.509	1.936	20	30		FDEDRO
C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1	ZINC001005994705	888552944	/nfs/dbraw/zinc/55/29/44/888552944.db2.gz	HMBSHHAXFVHAEP-ZWKOTPCHSA-N	1	0	361.486	1.103	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CCC[C@H]1Cc1cnn(C)c1)C1CC[NH+](C)CC1	ZINC000923301894	888822719	/nfs/dbraw/zinc/82/27/19/888822719.db2.gz	KXNWIURGTVOVEJ-HKUYNNGSSA-N	1	0	357.502	1.870	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CCC3)C2)CC1	ZINC000938593851	888872858	/nfs/dbraw/zinc/87/28/58/888872858.db2.gz	PZHPHONQIHBBCY-SLFFLAALSA-N	1	0	371.525	1.827	20	30		FDEDRO
Cn1ccnc1CN(C[C@H](O)c1ccc(C#N)cc1)[C@H]1CC12CC[NH2+]CC2	ZINC000923342544	888961158	/nfs/dbraw/zinc/96/11/58/888961158.db2.gz	PGLVXANDIIXIRA-OALUTQOASA-N	1	0	365.481	1.969	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCc4ccccc43)C[C@@H]2O)c1	ZINC001083765644	889114563	/nfs/dbraw/zinc/11/45/63/889114563.db2.gz	NOYVPLUNKYQISS-NJYVYQBISA-N	1	0	361.445	1.915	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCn1cncn1	ZINC001089698788	889174036	/nfs/dbraw/zinc/17/40/36/889174036.db2.gz	CGNWMKFRWYNLOM-BBWFWOEESA-N	1	0	361.490	1.476	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCC3(F)F)C[C@@H]2O)c1	ZINC001083765800	889190191	/nfs/dbraw/zinc/19/01/91/889190191.db2.gz	VMQCRDBIPOBXOL-ZACQAIPSSA-N	1	0	363.408	1.663	20	30		FDEDRO
COc1ccc([C@@H]2C[NH2+]CCN2C[C@H](O)COc2ccc(C#N)cc2)cc1	ZINC000923423957	889201988	/nfs/dbraw/zinc/20/19/88/889201988.db2.gz	TWVCSPDUCCSKGU-RXVVDRJESA-N	1	0	367.449	1.953	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC[NH+](CCc2cnn(C)c2)CC1	ZINC001006124718	889582935	/nfs/dbraw/zinc/58/29/35/889582935.db2.gz	WBNQGPNWSYGSEM-OALUTQOASA-N	1	0	360.502	1.867	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H](C[C@H]2COCC[NH2+]2)c2ccccc21	ZINC000923544337	889702472	/nfs/dbraw/zinc/70/24/72/889702472.db2.gz	KEDMXDSBBLTPGP-XHSDSOJGSA-N	1	0	372.469	1.369	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC000938968820	889721894	/nfs/dbraw/zinc/72/18/94/889721894.db2.gz	OLFKRUJZIDDGIZ-ZTFGCOKTSA-N	1	0	354.454	1.076	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)C1CCCCC1	ZINC001127609205	889737340	/nfs/dbraw/zinc/73/73/40/889737340.db2.gz	PNELUUXKVQKCDB-SJORKVTESA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCCNCc1nncn1-c1ccccc1	ZINC001127609336	889740937	/nfs/dbraw/zinc/74/09/37/889740937.db2.gz	WKHSBLFFWTVDBE-SJORKVTESA-N	1	0	355.442	1.454	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)N([C@H](C)C1CC1)C1CC1	ZINC001127608991	889745954	/nfs/dbraw/zinc/74/59/54/889745954.db2.gz	LDONIDYPTSNYLR-OLMNPRSZSA-N	1	0	363.502	1.463	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)C1	ZINC000923555283	889771984	/nfs/dbraw/zinc/77/19/84/889771984.db2.gz	UHCGAOOWEQYGFJ-HOTGVXAUSA-N	1	0	366.506	1.045	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccccc2OC)C[C@H]1C	ZINC001106911718	889804894	/nfs/dbraw/zinc/80/48/94/889804894.db2.gz	GPWSGJKZZWMTLQ-BZUAXINKSA-N	1	0	359.470	1.684	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)N1CCCCCC1	ZINC001127612701	889901642	/nfs/dbraw/zinc/90/16/42/889901642.db2.gz	AMXGGHSPBYFFSK-BBWFWOEESA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](NC(=O)C2(C(F)(F)F)CCOCC2)[C@H](OC)C1	ZINC001212299199	889973442	/nfs/dbraw/zinc/97/34/42/889973442.db2.gz	BSHSCXWVIPNRML-CHWSQXEVSA-N	1	0	350.381	1.737	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H](NC(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)C1	ZINC000923589983	889996677	/nfs/dbraw/zinc/99/66/77/889996677.db2.gz	NYJPHKHDSURGNH-QWPQOLDESA-N	1	0	367.453	1.533	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)CCn2c(=O)oc3cc(Cl)ccc32)C1	ZINC000923591491	890006078	/nfs/dbraw/zinc/00/60/78/890006078.db2.gz	CDGMGYZRMOEBII-CQSZACIVSA-N	1	0	361.829	1.852	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2nccc2C)[C@@H](n2ccnn2)C1	ZINC001129284805	890037730	/nfs/dbraw/zinc/03/77/30/890037730.db2.gz	YLKBEDULPQLNNA-OIISXLGYSA-N	1	0	357.462	1.179	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnoc2CC)[C@@H](n2ccnn2)C1	ZINC001129289391	890069729	/nfs/dbraw/zinc/06/97/29/890069729.db2.gz	YAEAOAXXHBIGEW-BMFZPTHFSA-N	1	0	358.446	1.839	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(c3ncc(C#N)cc3F)C2)CC[N@@H+]1C	ZINC001063055653	890155122	/nfs/dbraw/zinc/15/51/22/890155122.db2.gz	GZCKKFZOFAGQEW-YQQAZPJKSA-N	1	0	359.449	1.860	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1(CNC(=O)C[NH+](CC)CC)CCC1	ZINC001063131233	890220712	/nfs/dbraw/zinc/22/07/12/890220712.db2.gz	YIVKWAZAOASSAX-CVEARBPZSA-N	1	0	351.491	1.465	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)C(C)(C)C3CC3)C2)CC1	ZINC000939203379	890232583	/nfs/dbraw/zinc/23/25/83/890232583.db2.gz	RIDIRTCEQMHWST-CRAIPNDOSA-N	1	0	359.514	1.731	20	30		FDEDRO
C#Cc1cncc(C(=O)NC2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC2)c1	ZINC001063223549	890330901	/nfs/dbraw/zinc/33/09/01/890330901.db2.gz	MXFBARWMBGKGPL-RHSMWYFYSA-N	1	0	354.454	1.172	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)CN1CC[N@H+](CC(C)(C)O)[C@H](C)C1	ZINC000249397268	890345740	/nfs/dbraw/zinc/34/57/40/890345740.db2.gz	RXYWQFHMHOUFKN-IEBWSBKVSA-N	1	0	362.514	1.932	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCCN(c3nc(C)cc(C#N)n3)C2)CC[N@@H+]1C	ZINC001063240672	890374188	/nfs/dbraw/zinc/37/41/88/890374188.db2.gz	BBNDXHGLRKFTJI-BPQIPLTHSA-N	1	0	370.501	1.862	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCCN(c3ccnc(C#N)n3)C2)CC[N@@H+]1C	ZINC001063241050	890377148	/nfs/dbraw/zinc/37/71/48/890377148.db2.gz	LLABTRBEYSKWQY-HRCADAONSA-N	1	0	356.474	1.554	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCCN(c3cnc(C#N)cn3)C2)CC[N@@H+]1C	ZINC001063241334	890377348	/nfs/dbraw/zinc/37/73/48/890377348.db2.gz	VCINKONAVPUQEU-BHYGNILZSA-N	1	0	356.474	1.554	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2ccccc2)C[C@H]1C	ZINC001106914180	890541993	/nfs/dbraw/zinc/54/19/93/890541993.db2.gz	FOTMORJVJSVBEP-ZHALLVOQSA-N	1	0	357.498	1.994	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cc1	ZINC000939887357	891446461	/nfs/dbraw/zinc/44/64/61/891446461.db2.gz	LZGKHJNQAFGPOQ-DNVCBOLYSA-N	1	0	353.466	1.586	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC1	ZINC001060765160	891467668	/nfs/dbraw/zinc/46/76/68/891467668.db2.gz	SWQATZJZLASZJI-DZVNLGKHSA-N	1	0	365.518	1.709	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC[NH+](CC(=O)N(C)C2CC2)CC1	ZINC001001930570	891634413	/nfs/dbraw/zinc/63/44/13/891634413.db2.gz	HIIBGVQGTYBRFE-HKUYNNGSSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC[NH+]([C@H]2CCN(CC)C2=O)CC1	ZINC001001930691	891634883	/nfs/dbraw/zinc/63/48/83/891634883.db2.gz	JAKHGDONXUKDJH-BZSNNMDCSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)C3CC4(CC4)C3)C2)CC1	ZINC000940026326	891656840	/nfs/dbraw/zinc/65/68/40/891656840.db2.gz	RIGSIZOHCKSZQZ-CRAIPNDOSA-N	1	0	357.498	1.485	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2c(OC)cccc2OC)C[C@H]1C	ZINC001106916118	891763605	/nfs/dbraw/zinc/76/36/05/891763605.db2.gz	ABWMNPJBMCHHPO-HZPDHXFCSA-N	1	0	360.454	1.651	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@]23CC[N@H+](C2)CCC3)c[nH]1	ZINC001002135639	891972669	/nfs/dbraw/zinc/97/26/69/891972669.db2.gz	LKISKMBFLYDIPJ-WWNBULGVSA-N	1	0	367.453	1.234	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1	ZINC000940287210	892154448	/nfs/dbraw/zinc/15/44/48/892154448.db2.gz	DIUWEERKJNMIHF-BRWVUGGUSA-N	1	0	358.486	1.735	20	30		FDEDRO
CN1CC[N@H+](CCCNC(=O)c2c[nH]c(C#N)c2)[C@@H](c2ccccc2)C1	ZINC000252734368	892227148	/nfs/dbraw/zinc/22/71/48/892227148.db2.gz	MDBJJXVMLIOICV-LJQANCHMSA-N	1	0	351.454	1.995	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1	ZINC001002224944	892267549	/nfs/dbraw/zinc/26/75/49/892267549.db2.gz	WXBJAVMARXQXHW-KURKYZTESA-N	1	0	363.502	1.415	20	30		FDEDRO
CC1([NH2+]Cc2ccc(C#N)cc2)CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1	ZINC000940323310	892270840	/nfs/dbraw/zinc/27/08/40/892270840.db2.gz	QUTBNNPXXMKWCO-DLBZAZTESA-N	1	0	370.453	1.062	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2coc(C)c2)C3)CC1	ZINC001002248618	892328991	/nfs/dbraw/zinc/32/89/91/892328991.db2.gz	AHXPWJQASCHTRG-QRVBRYPASA-N	1	0	369.465	1.795	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C	ZINC000940378998	892390417	/nfs/dbraw/zinc/39/04/17/892390417.db2.gz	FUMGUQHBUFNNRR-VQHPVUNQSA-N	1	0	361.486	1.169	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCCCC(=O)N2)C[C@H]1C	ZINC001106921205	892579689	/nfs/dbraw/zinc/57/96/89/892579689.db2.gz	ZBBQOBWRJOYTSC-BRWVUGGUSA-N	1	0	351.491	1.322	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCCCC(=O)N2)C[C@H]1C	ZINC001106921206	892579797	/nfs/dbraw/zinc/57/97/97/892579797.db2.gz	ZBBQOBWRJOYTSC-ZACQAIPSSA-N	1	0	351.491	1.322	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)ccc1Cl	ZINC000921912945	892788436	/nfs/dbraw/zinc/78/84/36/892788436.db2.gz	SRRZYKRCAOVNJG-CQSZACIVSA-N	1	0	369.874	1.743	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CO[C@H](C)c2nccn2C)C[C@H]1C	ZINC001106929180	893006045	/nfs/dbraw/zinc/00/60/45/893006045.db2.gz	CFGDZZGDYJEBRW-BRWVUGGUSA-N	1	0	364.490	1.384	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CO[C@@H](C)c2nccn2C)C[C@H]1C	ZINC001106929820	893012517	/nfs/dbraw/zinc/01/25/17/893012517.db2.gz	SJPIJOQGSPGXMN-VHDGCEQUSA-N	1	0	354.882	1.934	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C(F)F)o2)C[C@H]1C	ZINC001106932002	893024081	/nfs/dbraw/zinc/02/40/81/893024081.db2.gz	MLDPMPGEZSOIJT-VXGBXAGGSA-N	1	0	353.369	1.264	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)NC)[C@H](C)C2)CCOCC1	ZINC001106933576	893042423	/nfs/dbraw/zinc/04/24/23/893042423.db2.gz	ZCSREQDSBMZALB-BZUAXINKSA-N	1	0	351.491	1.178	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CCC(C(F)F)CC2)C[C@H]1C	ZINC001106933706	893048084	/nfs/dbraw/zinc/04/80/84/893048084.db2.gz	FDDNGWCVIJZCDL-PRLABOORSA-N	1	0	369.456	1.491	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cnc(C)nc2C2CC2)C[C@H]1C	ZINC001106937162	893074977	/nfs/dbraw/zinc/07/49/77/893074977.db2.gz	LRBVEGOYSBBUAU-CZUORRHYSA-N	1	0	371.485	1.262	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3CO2)C[C@H]1C	ZINC001106938416	893093667	/nfs/dbraw/zinc/09/36/67/893093667.db2.gz	VSGFQEMNXNFTPY-LZQZEXGQSA-N	1	0	371.481	1.114	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2C[C@H](OCC)C2(C)C)CC1	ZINC000672356275	893172054	/nfs/dbraw/zinc/17/20/54/893172054.db2.gz	RLSLVYGGLBTSMR-SJORKVTESA-N	1	0	365.518	1.805	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[C@@H]2CCCCO2)CC1	ZINC000672355569	893175267	/nfs/dbraw/zinc/17/52/67/893175267.db2.gz	PNVDHLVVCDFOCF-INIZCTEOSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CCCO)CC(C)(C)C)CC1	ZINC000672356394	893186062	/nfs/dbraw/zinc/18/60/62/893186062.db2.gz	ZPTMQPJBFWVEQW-UHFFFAOYSA-N	1	0	353.507	1.400	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(C#N)c2)CC1	ZINC001002603279	893370545	/nfs/dbraw/zinc/37/05/45/893370545.db2.gz	JESGVFGVOFRAHQ-KURKYZTESA-N	1	0	369.469	1.480	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(C#N)[nH]1	ZINC001002634837	893428092	/nfs/dbraw/zinc/42/80/92/893428092.db2.gz	UWFQUIUBTOHWRX-NRSFXHEJSA-N	1	0	369.469	1.621	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)COCc2cc(C)on2)[C@H](OC)C1	ZINC001212452688	893440525	/nfs/dbraw/zinc/44/05/25/893440525.db2.gz	GVZZTHLPDGNBGU-KBRIMQKVSA-N	1	0	351.447	1.670	20	30		FDEDRO
N#Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](C[C@H](O)Cc4ccccc4)C[C@H]32)c[nH]1	ZINC001084293453	913841713	/nfs/dbraw/zinc/84/17/13/913841713.db2.gz	ICOFTNAWIKKMRS-NSISKUIASA-N	1	0	364.449	1.636	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1Cn1cncn1	ZINC000922023929	894433429	/nfs/dbraw/zinc/43/34/29/894433429.db2.gz	MWPYGJYHNQOQPI-UHFFFAOYSA-N	1	0	373.482	1.045	20	30		FDEDRO
Cc1cc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)n1	ZINC001084261808	913869560	/nfs/dbraw/zinc/86/95/60/913869560.db2.gz	ZSVQIKMJXSXKEV-SJLPKXTDSA-N	1	0	352.442	1.546	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C	ZINC000922021120	894443956	/nfs/dbraw/zinc/44/39/56/894443956.db2.gz	LPDZNNDXSSDPKJ-CABCVRRESA-N	1	0	357.376	1.992	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cnn(CC(F)(F)F)c1	ZINC000922021689	894466746	/nfs/dbraw/zinc/46/67/46/894466746.db2.gz	CLPCKKVRJLODDU-UHFFFAOYSA-N	1	0	364.393	1.164	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc2[nH]c(=O)c(C)cc2c1	ZINC000922022291	894485106	/nfs/dbraw/zinc/48/51/06/894485106.db2.gz	KLKZGNCYFKMSOO-UHFFFAOYSA-N	1	0	373.478	1.555	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(OC)ccc1OC	ZINC000922024656	894515978	/nfs/dbraw/zinc/51/59/78/894515978.db2.gz	ASCVTOIGTBGMDH-UHFFFAOYSA-N	1	0	352.456	1.422	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(OC)c(OC)c1	ZINC000922024777	894520215	/nfs/dbraw/zinc/52/02/15/894520215.db2.gz	CGBUTBFCMAIYBC-UHFFFAOYSA-N	1	0	352.456	1.422	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)CNC(=O)Cc2ccccc2)C[C@H]1C	ZINC001106954710	894701550	/nfs/dbraw/zinc/70/15/50/894701550.db2.gz	JBMHDYAQIBEARC-IEBWSBKVSA-N	1	0	357.498	1.996	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C	ZINC001106960266	895520862	/nfs/dbraw/zinc/52/08/62/895520862.db2.gz	HMYHQROZQSQOBO-HUUCEWRRSA-N	1	0	352.479	1.193	20	30		FDEDRO
CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@H](C)[NH+]1CCCCCC1	ZINC000941779687	895719594	/nfs/dbraw/zinc/71/95/94/895719594.db2.gz	HSDPDORFVZAHDJ-CGTJXYLNSA-N	1	0	361.486	1.006	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC2(CCOCC2)C1	ZINC001089944264	896420352	/nfs/dbraw/zinc/42/03/52/896420352.db2.gz	ASHBHKMRKMDHKB-KZNAEPCWSA-N	1	0	365.518	1.269	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)[C@H](OC)C1	ZINC000942121063	896443956	/nfs/dbraw/zinc/44/39/56/896443956.db2.gz	YQQDCOQSQSBTFL-BRWVUGGUSA-N	1	0	365.518	1.805	20	30		FDEDRO
C#CC[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)CC2(CCOCC2)C1	ZINC001089947308	896806489	/nfs/dbraw/zinc/80/64/89/896806489.db2.gz	BRRLXEPGFSRVBI-BRWVUGGUSA-N	1	0	356.470	1.144	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC2(CCOCC2)C1	ZINC001089948247	896828106	/nfs/dbraw/zinc/82/81/06/896828106.db2.gz	VJKASHWTPMYAAS-QKDSSNGWSA-N	1	0	360.498	1.973	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)CCC3)C[C@H]1C	ZINC001106968916	896856996	/nfs/dbraw/zinc/85/69/96/896856996.db2.gz	ZGQRKMXDTIZHJL-DNVCBOLYSA-N	1	0	353.466	1.222	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@]2(CC)CCNC2=O)[C@H](OC)C1	ZINC001212427777	896896520	/nfs/dbraw/zinc/89/65/20/896896520.db2.gz	BBPGKLQITTUFQS-GPMSIDNRSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cnn3ccc(C)cc23)[C@H](OC)C1	ZINC001212428345	896909182	/nfs/dbraw/zinc/90/91/82/896909182.db2.gz	XRNHUVAVPGQLHI-SJLPKXTDSA-N	1	0	358.442	1.274	20	30		FDEDRO
C#CC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)n1	ZINC001128106739	896953641	/nfs/dbraw/zinc/95/36/41/896953641.db2.gz	DSWXERGMOAEGQL-GVDBMIGSSA-N	1	0	364.453	1.026	20	30		FDEDRO
C=CC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)n1	ZINC001128107218	896961852	/nfs/dbraw/zinc/96/18/52/896961852.db2.gz	NRUGUUCAGRQJEY-BRWVUGGUSA-N	1	0	366.469	1.579	20	30		FDEDRO
C#CC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@H]3OCC[C@H]3C(C)C)C2)n1	ZINC001128107317	896963844	/nfs/dbraw/zinc/96/38/44/896963844.db2.gz	PRQLWMPWXNBLIV-HBFSDRIKSA-N	1	0	370.497	1.560	20	30		FDEDRO
C#CC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3C3CCC3)C2)n1	ZINC001128127014	897391359	/nfs/dbraw/zinc/39/13/59/897391359.db2.gz	WNOBDJHPYIOUNT-CEXWTWQISA-N	1	0	352.482	1.936	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2nc3ncccn3n2)C[C@H]1C	ZINC001106983237	897489821	/nfs/dbraw/zinc/48/98/21/897489821.db2.gz	WKUGLQMDAVMLRK-BZUAXINKSA-N	1	0	356.474	1.706	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]cc2C)C[C@H]1C	ZINC001106983792	897512193	/nfs/dbraw/zinc/51/21/93/897512193.db2.gz	JUGNIDDZWZOCOM-HZPDHXFCSA-N	1	0	359.474	1.383	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@]23C[C@H]2COC3)C1	ZINC000995264372	897604399	/nfs/dbraw/zinc/60/43/99/897604399.db2.gz	DUYQYYQFPRDRQZ-ZJOUEHCJSA-N	1	0	353.466	1.792	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](C[C@H]2CCc3ncnn32)C1	ZINC001032041164	897606158	/nfs/dbraw/zinc/60/61/58/897606158.db2.gz	GFFUMJMSIIXGAU-RYRKJORJSA-N	1	0	359.474	1.185	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1N(C(=O)c1cc(C#N)c[nH]1)CC2	ZINC000995265379	897618732	/nfs/dbraw/zinc/61/87/32/897618732.db2.gz	YCGQDQPDMTUXJX-SQGPQFPESA-N	1	0	369.469	1.482	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(Cc1cccnc1)C[C@@H]1CC[N@@H+](CCO)C1	ZINC000995268245	897656403	/nfs/dbraw/zinc/65/64/03/897656403.db2.gz	NTGQDSXRXGHWIG-QRVBRYPASA-N	1	0	359.470	1.316	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1O	ZINC001078028019	897656763	/nfs/dbraw/zinc/65/67/63/897656763.db2.gz	VASVHKFWQCFVBH-QZTJIDSGSA-N	1	0	357.454	1.449	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CN(Cc2c(C)noc2C)C[C@H]1O	ZINC001078082629	897910522	/nfs/dbraw/zinc/91/05/22/897910522.db2.gz	QPIXCUYJIXAFPZ-RTBURBONSA-N	1	0	353.422	1.177	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C)[N@H+](CC)C[C@@H]2C)c1	ZINC000765925698	898002541	/nfs/dbraw/zinc/00/25/41/898002541.db2.gz	PMYUCVDGFPMXSV-GJZGRUSLSA-N	1	0	363.483	1.153	20	30		FDEDRO
Cc1noc(C)c1CC(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O	ZINC001078164948	898210309	/nfs/dbraw/zinc/21/03/09/898210309.db2.gz	IWCWWUNMLOYJGL-QZTJIDSGSA-N	1	0	354.410	1.067	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)NC(C)(C)C)C[C@H]1C	ZINC001106997653	898418713	/nfs/dbraw/zinc/41/87/13/898418713.db2.gz	OGLNKYHXFOQXSW-DGCLKSJQSA-N	1	0	365.927	1.141	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC000943285460	898619894	/nfs/dbraw/zinc/61/98/94/898619894.db2.gz	MMDMESHZMOMJFU-AYOQOUSVSA-N	1	0	368.481	1.514	20	30		FDEDRO
C[C@@H]1CC[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3cccc(C#N)c3)C2)O1	ZINC001078475112	898813004	/nfs/dbraw/zinc/81/30/04/898813004.db2.gz	FCRAYGKKOCMUAK-ATZDWAIDSA-N	1	0	357.454	1.833	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1	ZINC001078535551	898885381	/nfs/dbraw/zinc/88/53/81/898885381.db2.gz	WWZXBDSNDXDELS-BBWFWOEESA-N	1	0	365.518	1.853	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@H](OC)C2)C1	ZINC000943796301	899414652	/nfs/dbraw/zinc/41/46/52/899414652.db2.gz	JVFZZPWVHNBDLY-IAGOWNOFSA-N	1	0	368.437	1.646	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC=C)c2ccccc2)C[C@H]1C	ZINC001107011939	899533183	/nfs/dbraw/zinc/53/31/83/899533183.db2.gz	DWMFGZSXZXLVOL-RLLQIKCJSA-N	1	0	367.493	1.780	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCOc3ccccc3)C[C@H]21	ZINC001084418126	914381766	/nfs/dbraw/zinc/38/17/66/914381766.db2.gz	WQVWDRJOWIQSEQ-HLAWJBBLSA-N	1	0	367.493	1.696	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2C[C@@H](C[NH2+]CC(=O)NC)[C@H](C)C2)cc1	ZINC001107051638	900141673	/nfs/dbraw/zinc/14/16/73/900141673.db2.gz	KJOYANUVKPMYFA-NVXWUHKLSA-N	1	0	359.470	1.224	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]c3ncccc23)C[C@H]1C	ZINC001107049930	900175349	/nfs/dbraw/zinc/17/53/49/900175349.db2.gz	ILRDAVKJQOYZCS-GDBMZVCRSA-N	1	0	369.469	1.092	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(CF)cc2)C[C@H]1C	ZINC001107052231	900192668	/nfs/dbraw/zinc/19/26/68/900192668.db2.gz	GZHDDHHBPVGTLC-IIDMSEBBSA-N	1	0	359.445	1.592	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(CC#C)CCCCC2)C[C@H]1C	ZINC001107057273	900246650	/nfs/dbraw/zinc/24/66/50/900246650.db2.gz	UWBCSTISWZZVFV-CEXWTWQISA-N	1	0	371.525	1.782	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCC[C@H]2C)[C@H](C)C1	ZINC001107058998	900307368	/nfs/dbraw/zinc/30/73/68/900307368.db2.gz	MDXAKAPATMLLLC-KZNAEPCWSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2C(C)(C)C)[C@H](C)C1	ZINC001107062599	900374425	/nfs/dbraw/zinc/37/44/25/900374425.db2.gz	OSUQRMYPYXEZRO-OWCLPIDISA-N	1	0	363.506	1.808	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CCC#N)[C@H](C)C1	ZINC001107062724	900377001	/nfs/dbraw/zinc/37/70/01/900377001.db2.gz	QSNHFIMOKJQMCV-IXDOHACOSA-N	1	0	364.490	1.024	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CC(F)F)[C@H](C)C1	ZINC001107062194	900442112	/nfs/dbraw/zinc/44/21/12/900442112.db2.gz	CEVXYPDSDHQABV-HZSPNIEDSA-N	1	0	371.432	1.318	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)(C)CC)[C@H](C)C1	ZINC001107063048	900448131	/nfs/dbraw/zinc/44/81/31/900448131.db2.gz	AGJIOGHJDWKTBV-BZUAXINKSA-N	1	0	353.507	1.566	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]Cc2cccc(C(N)=O)c2)[C@H](C)C1	ZINC001107063730	900450918	/nfs/dbraw/zinc/45/09/18/900450918.db2.gz	YPMVIBYRPCFJNY-CRAIPNDOSA-N	1	0	359.470	1.562	20	30		FDEDRO
COCCOCCC(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1	ZINC001107067125	900464845	/nfs/dbraw/zinc/46/48/45/900464845.db2.gz	XHYGJVQHIKPYDO-VQIMIIECSA-N	1	0	359.470	1.795	20	30		FDEDRO
C[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@@]1(CO)CCOC1	ZINC000763886301	900479702	/nfs/dbraw/zinc/47/97/02/900479702.db2.gz	SDKBGTCNGBXHEF-IFXJQAMLSA-N	1	0	352.394	1.307	20	30		FDEDRO
CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CCCN(c2ccccc2F)C1	ZINC000185547586	900558678	/nfs/dbraw/zinc/55/86/78/900558678.db2.gz	UJAXPJBFFRRGDD-OAHLLOKOSA-N	1	0	363.481	1.826	20	30		FDEDRO
C[C@@H]1CN(C(=O)COC[C@H]2CCCO2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001107090179	900804359	/nfs/dbraw/zinc/80/43/59/900804359.db2.gz	FWTXSDLLPWTRHP-HMXCVIKNSA-N	1	0	370.493	1.918	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)n(C)c3c2)C[C@H]1C	ZINC001107099070	900944540	/nfs/dbraw/zinc/94/45/40/900944540.db2.gz	UEROQSJCSVOVIV-GDBMZVCRSA-N	1	0	370.453	1.226	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(c3ncccc3C#N)CCO2)CC[N@@H+]1C	ZINC001063671332	901093454	/nfs/dbraw/zinc/09/34/54/901093454.db2.gz	UDHQFCGMVQFIDE-YESZJQIVSA-N	1	0	357.458	1.005	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CCCC1)C2	ZINC000995668375	901287776	/nfs/dbraw/zinc/28/77/76/901287776.db2.gz	ISXJAUJIZPVYLB-XWSJACJDSA-N	1	0	357.498	1.912	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000995669346	901298146	/nfs/dbraw/zinc/29/81/46/901298146.db2.gz	DWZSGERBLIHVCG-IRXDYDNUSA-N	1	0	354.410	1.256	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCC1	ZINC001064585364	901438696	/nfs/dbraw/zinc/43/86/96/901438696.db2.gz	DNCWSDYWTCQOEM-NXOAAHMSSA-N	1	0	363.502	1.463	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CCN(c4cnc(C#N)cn4)C3)C2)CC[N@@H+]1C	ZINC001064649530	901515877	/nfs/dbraw/zinc/51/58/77/901515877.db2.gz	CSBVLFHLLXBLQQ-IDHHARJASA-N	1	0	354.458	1.117	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2CN(c3ccc(C#N)nc3)C[C@H]21	ZINC001090341419	901759985	/nfs/dbraw/zinc/75/99/85/901759985.db2.gz	WZTXCCGPVKMLEJ-BMGDILEWSA-N	1	0	359.449	1.670	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001065186721	901904046	/nfs/dbraw/zinc/90/40/46/901904046.db2.gz	NTRQCYIHLABLLO-KBAYOESNSA-N	1	0	363.502	1.439	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C2=COCCO2)C1	ZINC001079122636	901919270	/nfs/dbraw/zinc/91/92/70/901919270.db2.gz	KSWKNEVGQMBQEJ-QZTJIDSGSA-N	1	0	358.438	1.525	20	30		FDEDRO
C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccc(=O)[nH]c2)C1	ZINC001079147045	901972312	/nfs/dbraw/zinc/97/23/12/901972312.db2.gz	UGKMBRVZWKELFX-QZTJIDSGSA-N	1	0	353.422	1.661	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+]Cc2cnnn2C)C1	ZINC001079150047	901981455	/nfs/dbraw/zinc/98/14/55/901981455.db2.gz	ZBQCMXCMGPAHPM-DOPJRALCSA-N	1	0	370.432	1.588	20	30		FDEDRO
C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[C@H]1c1ccc(F)cc1	ZINC001079150463	901982891	/nfs/dbraw/zinc/98/28/91/901982891.db2.gz	SHXIPQQYOKNHHA-SOVGHPHASA-N	1	0	370.428	1.994	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cncnc2)C1	ZINC001079133476	901992280	/nfs/dbraw/zinc/99/22/80/901992280.db2.gz	IZACOOBTVPPHMV-RTBURBONSA-N	1	0	350.422	1.187	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2n[nH]cc2C)C1	ZINC001079133695	901993779	/nfs/dbraw/zinc/99/37/79/901993779.db2.gz	WFNCOYOHXXFDFF-QZTJIDSGSA-N	1	0	354.454	1.982	20	30		FDEDRO
CC#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCCC[N@@H+]2C)C1	ZINC001079138118	902018205	/nfs/dbraw/zinc/01/82/05/902018205.db2.gz	OTABNLFCUIZXPP-NJDAHSKKSA-N	1	0	369.509	1.568	20	30		FDEDRO
C#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cc(OCC)no2)C1	ZINC001079138212	902018609	/nfs/dbraw/zinc/01/86/09/902018609.db2.gz	TZLSBQIBJHZAJT-IAGOWNOFSA-N	1	0	369.421	1.394	20	30		FDEDRO
C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnc[nH]c2=O)C1	ZINC001079138284	902020265	/nfs/dbraw/zinc/02/02/65/902020265.db2.gz	XLULXFKWBACZTF-IAGOWNOFSA-N	1	0	354.410	1.056	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](OC)C1	ZINC000945986466	902022667	/nfs/dbraw/zinc/02/26/67/902022667.db2.gz	NTXFIVUYUKQHHL-MWDXBVQZSA-N	1	0	365.518	1.661	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC(=O)N2CCC2)C1	ZINC001079175144	902060117	/nfs/dbraw/zinc/06/01/17/902060117.db2.gz	XZZZHYLQMNAKIF-XOKHGSTOSA-N	1	0	358.417	1.102	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1c1cccc(F)c1	ZINC001079181440	902121096	/nfs/dbraw/zinc/12/10/96/902121096.db2.gz	PXCJMMULVYPUKL-RRFJBIMHSA-N	1	0	367.808	1.571	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc3n2CCC3)C[C@H]1c1cccc(F)c1	ZINC001079187612	902135107	/nfs/dbraw/zinc/13/51/07/902135107.db2.gz	OWFSKGMPCGVGOC-DLBZAZTESA-N	1	0	352.413	1.799	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cn2nc(C)cc2C)C[C@H]1c1cccc(F)c1	ZINC001079190209	902142973	/nfs/dbraw/zinc/14/29/73/902142973.db2.gz	GJKSVRNUXCNGGA-RBUKOAKNSA-N	1	0	354.429	1.856	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)cn2C)C[C@H]1c1cccc(F)c1	ZINC001079190191	902143299	/nfs/dbraw/zinc/14/32/99/902143299.db2.gz	FJRVZPYGSYTZHI-DLBZAZTESA-N	1	0	370.428	1.647	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCNC(=O)CC2)C[C@H]1c1cccc(F)c1	ZINC001079192643	902151024	/nfs/dbraw/zinc/15/10/24/902151024.db2.gz	SHRAUWPZPGJRMS-FHLIZLRMSA-N	1	0	357.429	1.259	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ncccc2OC)C[C@H]1c1cccc(F)c1	ZINC001079196623	902162509	/nfs/dbraw/zinc/16/25/09/902162509.db2.gz	YNGLKLKVGFJGEV-PKOBYXMFSA-N	1	0	367.424	1.989	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)Cc3cc(C)n[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079234168	902170136	/nfs/dbraw/zinc/17/01/36/902170136.db2.gz	BAALWGFBJBPUIP-ZWKOTPCHSA-N	1	0	356.470	1.223	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)[C@@H](C)n3cncn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079237315	902179271	/nfs/dbraw/zinc/17/92/71/902179271.db2.gz	ZJEZZZSBZQGPNH-IXDOHACOSA-N	1	0	359.474	1.355	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CN(C(=O)c3cn(C)nn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079240401	902188618	/nfs/dbraw/zinc/18/86/18/902188618.db2.gz	MRRHQBIVYZBINC-DOTOQJQBSA-N	1	0	359.474	1.334	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3cnn(CC)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079240925	902190451	/nfs/dbraw/zinc/19/04/51/902190451.db2.gz	GAUODFXLRPGNTK-DOTOQJQBSA-N	1	0	359.474	1.427	20	30		FDEDRO
O=C(C#CC1CC1)N1CC2(CC[NH+](Cc3ccccn3)CC2)[C@H]2COC[C@H]21	ZINC001079241228	902191529	/nfs/dbraw/zinc/19/15/29/902191529.db2.gz	QTCWNKMASRMNNB-VQTJNVASSA-N	1	0	365.477	1.934	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ccnn3C3CCC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079242005	902195336	/nfs/dbraw/zinc/19/53/36/902195336.db2.gz	NBNXRDOUJFOPAV-PKOBYXMFSA-N	1	0	368.481	1.794	20	30		FDEDRO
Cc1ncc(C[NH+]2CCC3(CN(C(=O)[C@H](C)C#N)[C@@H]4COC[C@@H]43)CC2)o1	ZINC001079228215	902241555	/nfs/dbraw/zinc/24/15/55/902241555.db2.gz	BOYSHUPMJWBZGK-XOKHGSTOSA-N	1	0	358.442	1.582	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC2(CC[NH+](Cc3cnn(C)c3)CC2)[C@H]2COC[C@H]21	ZINC001079228436	902242573	/nfs/dbraw/zinc/24/25/73/902242573.db2.gz	MJYDZAHDIYTVOO-HYVNUMGLSA-N	1	0	357.458	1.019	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCc4nccn43)[C@@H]3COC[C@@H]32)CC1	ZINC001079245885	902255296	/nfs/dbraw/zinc/25/52/96/902255296.db2.gz	LCYOQVBDOVTUTP-OKZBNKHCSA-N	1	0	370.497	1.886	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)CCc3cncnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079251135	902270967	/nfs/dbraw/zinc/27/09/67/902270967.db2.gz	HVESUMRIVYKERO-ZWKOTPCHSA-N	1	0	356.470	1.535	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cn(C)ccc3=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079251093	902270989	/nfs/dbraw/zinc/27/09/89/902270989.db2.gz	FRORUCVNJIZGPY-DLBZAZTESA-N	1	0	357.454	1.124	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3ccc(C(N)=O)o3)[C@@H]3COC[C@@H]32)CC1	ZINC001079251266	902272289	/nfs/dbraw/zinc/27/22/89/902272289.db2.gz	NWQSCZAYDIZZGH-UONOGXRCSA-N	1	0	359.426	1.118	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)Cc3ccc(=O)[nH]c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079252391	902274478	/nfs/dbraw/zinc/27/44/78/902274478.db2.gz	JAZGCERJYRZMEY-ZWKOTPCHSA-N	1	0	371.481	1.845	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)[C@]3(F)CCOC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079257115	902288331	/nfs/dbraw/zinc/28/83/31/902288331.db2.gz	UUBHFCXFQPWBGR-FCEWJHQRSA-N	1	0	350.434	1.078	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)[C@@H](C)c3cncnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079257955	902289486	/nfs/dbraw/zinc/28/94/86/902289486.db2.gz	GCPYLBIDRDODIT-YTQUADARSA-N	1	0	368.481	1.543	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cccnc3OC)[C@@H]3COC[C@@H]32)CC1	ZINC001079258456	902292137	/nfs/dbraw/zinc/29/21/37/902292137.db2.gz	BGNWPCCSDWUZKY-DLBZAZTESA-N	1	0	357.454	1.829	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3cncn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079262065	902302408	/nfs/dbraw/zinc/30/24/08/902302408.db2.gz	ZXOHSMDLBFAPKJ-VXIBKDFQSA-N	1	0	370.497	1.649	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cncc(OC)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079265355	902310592	/nfs/dbraw/zinc/31/05/92/902310592.db2.gz	FRXXYDJZJCVRDT-DOTOQJQBSA-N	1	0	370.453	1.062	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3cn(CC)nn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079267894	902318198	/nfs/dbraw/zinc/31/81/98/902318198.db2.gz	AMYODLKUAZCUTJ-DOTOQJQBSA-N	1	0	359.474	1.427	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCc4n[nH]cc4C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079270231	902328207	/nfs/dbraw/zinc/32/82/07/902328207.db2.gz	ILPBLBYLNSXXTH-VDZJLULYSA-N	1	0	370.497	1.640	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)COc3ccsc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079270243	902328885	/nfs/dbraw/zinc/32/88/85/902328885.db2.gz	IYTISRXCXLPADH-DLBZAZTESA-N	1	0	360.479	1.700	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCCN2CC)C[C@H]1c1ccccc1F	ZINC001079300427	902345962	/nfs/dbraw/zinc/34/59/62/902345962.db2.gz	HQZIHOAJMSXQJP-UHOSZYNNSA-N	1	0	361.461	1.616	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)CCc3cscn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079274683	902356059	/nfs/dbraw/zinc/35/60/59/902356059.db2.gz	WRZJMHOIRODKGF-DLBZAZTESA-N	1	0	359.495	1.648	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]Cc2cnn(C)c2)C1	ZINC001079287234	902384384	/nfs/dbraw/zinc/38/43/84/902384384.db2.gz	UOWJKHANDPTEKO-RPVQJOFSSA-N	1	0	355.417	1.803	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CCO)C1	ZINC001079319627	902420608	/nfs/dbraw/zinc/42/06/08/902420608.db2.gz	GRDGEPLGKOUGQG-PZJWPPBQSA-N	1	0	366.436	1.926	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1c1ccccc1F	ZINC001079321936	902424829	/nfs/dbraw/zinc/42/48/29/902424829.db2.gz	GNEJXSJOWCLZBM-WMLDXEAASA-N	1	0	354.385	1.084	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)C[C@H]1c1ccccc1F	ZINC001079306425	902437726	/nfs/dbraw/zinc/43/77/26/902437726.db2.gz	QNGRWBDBERUQJT-USXIJHARSA-N	1	0	360.433	1.309	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+][C@H](C)C(N)=O)C2)C1	ZINC001079309867	902444155	/nfs/dbraw/zinc/44/41/55/902444155.db2.gz	VMINAHOVQQTCFN-UKPHBRMFSA-N	1	0	359.445	1.940	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]1c1ccccc1F	ZINC001079313628	902449229	/nfs/dbraw/zinc/44/92/29/902449229.db2.gz	MMTWTGXWQUIRGZ-GOEBONIOSA-N	1	0	368.474	1.719	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)c1cnccn1	ZINC001079373040	902482247	/nfs/dbraw/zinc/48/22/47/902482247.db2.gz	JTRMHJWWDFARJW-RDTXWAMCSA-N	1	0	351.410	1.629	20	30		FDEDRO
COc1cccc([C@@H](O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)c1	ZINC001079539747	902774253	/nfs/dbraw/zinc/77/42/53/902774253.db2.gz	LHDGKJCKKZZJTH-ZNOIYHFQSA-N	1	0	368.437	1.679	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC001079540491	902774555	/nfs/dbraw/zinc/77/45/55/902774555.db2.gz	SWYUHRMSTXKILQ-NXOUGTEYSA-N	1	0	356.401	1.809	20	30		FDEDRO
C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(C#N)c[nH]2)C3)CC1	ZINC000996005538	902883782	/nfs/dbraw/zinc/88/37/82/902883782.db2.gz	AGPFKOLPDMCQPC-VYDXJSESSA-N	1	0	355.442	1.090	20	30		FDEDRO
Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]2C)cnn1	ZINC001079627255	902947001	/nfs/dbraw/zinc/94/70/01/902947001.db2.gz	RWEKJHBMQMMQJI-AUUYWEPGSA-N	1	0	365.437	1.938	20	30		FDEDRO
CC(=O)N1CC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]2C)C1	ZINC001079628735	902949914	/nfs/dbraw/zinc/94/99/14/902949914.db2.gz	PYTMQAZXBIRLAV-AUUYWEPGSA-N	1	0	370.453	1.004	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[NH+]3CCC2CC3)[nH]1	ZINC000996103831	903086669	/nfs/dbraw/zinc/08/66/69/903086669.db2.gz	KUKKBDYQWYYYAO-FZCLSBEQSA-N	1	0	367.453	1.090	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(C#N)c1)C2	ZINC000996120750	903146401	/nfs/dbraw/zinc/14/64/01/903146401.db2.gz	BXZWPILPKWREGZ-LTIDMASMSA-N	1	0	355.442	1.232	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1C	ZINC001079855894	903523065	/nfs/dbraw/zinc/52/30/65/903523065.db2.gz	XDQMXYBYMKNSAT-IXDOHACOSA-N	1	0	358.486	1.641	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1CN(C(=O)C[NH+](CC)CC)C1	ZINC001079857127	903530936	/nfs/dbraw/zinc/53/09/36/903530936.db2.gz	DZQVBXOSZWNQEU-SJORKVTESA-N	1	0	351.491	1.369	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1cnn2ccncc12	ZINC001079858032	903536445	/nfs/dbraw/zinc/53/64/45/903536445.db2.gz	SOPZLKKBTGFPEO-RDTXWAMCSA-N	1	0	360.421	1.851	20	30		FDEDRO
C=CCCOCC(=O)N1CC(N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001079860843	903551958	/nfs/dbraw/zinc/55/19/58/903551958.db2.gz	AXOWLYSOGXOOJX-DLBZAZTESA-N	1	0	351.491	1.369	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccn4c3CCCC4)C2)C1=O	ZINC001079872247	903582526	/nfs/dbraw/zinc/58/25/26/903582526.db2.gz	DJUYZFZICLPHJH-SZVBFZGTSA-N	1	0	370.497	1.661	20	30		FDEDRO
CC1(C)CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC000996307190	903662786	/nfs/dbraw/zinc/66/27/86/903662786.db2.gz	ZDRBLZAMQNYWNY-FGTMMUONSA-N	1	0	368.481	1.786	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cc3n(n2)CCC3)C(C)(C)C1	ZINC000996329733	903707894	/nfs/dbraw/zinc/70/78/94/903707894.db2.gz	IYCOQKPVEMRQOL-FGTMMUONSA-N	1	0	358.486	1.747	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnnn2CC)C(C)(C)C1	ZINC000996404241	903866140	/nfs/dbraw/zinc/86/61/40/903866140.db2.gz	CQXPMYSSMDOTOH-BBWFWOEESA-N	1	0	361.490	1.606	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c[nH]cc2C)C3)CC1	ZINC000996535350	904041052	/nfs/dbraw/zinc/04/10/52/904041052.db2.gz	FJWMENOUYNRNMT-NEWSRXKRSA-N	1	0	368.481	1.530	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)/C=C/c3ccco3)CCC[C@@H]12	ZINC001107262523	904198473	/nfs/dbraw/zinc/19/84/73/904198473.db2.gz	ZWMXXRWJFIHGGK-JCTQASJRSA-N	1	0	357.454	1.956	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[NH+]2CCCC2)C3)cc1	ZINC000996567078	904214843	/nfs/dbraw/zinc/21/48/43/904214843.db2.gz	DLSYPHADYUTJML-QYZOEREBSA-N	1	0	351.450	1.625	20	30		FDEDRO
N#CCSCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC1CC1)CC2	ZINC001107289616	904309947	/nfs/dbraw/zinc/30/99/47/904309947.db2.gz	HNYZRNKXXMBAML-CRAIPNDOSA-N	1	0	364.515	1.130	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C)nc3)CCC[C@@H]12	ZINC001107282718	904319659	/nfs/dbraw/zinc/31/96/59/904319659.db2.gz	RRQDLHUQQWPVCJ-YLJYHZDGSA-N	1	0	356.470	1.667	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CSC(C)C)CCC[C@@H]12	ZINC001107291399	904365827	/nfs/dbraw/zinc/36/58/27/904365827.db2.gz	YYMOBBPZBDVCKX-CRAIPNDOSA-N	1	0	353.532	1.791	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCOC(C)C)CCC[C@@H]12	ZINC001107294249	904380118	/nfs/dbraw/zinc/38/01/18/904380118.db2.gz	XJCWBIVHOQFWRG-VQIMIIECSA-N	1	0	351.491	1.465	20	30		FDEDRO
CCCCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107318969	904447226	/nfs/dbraw/zinc/44/72/26/904447226.db2.gz	CKJABCPYRUPUTN-GPMSIDNRSA-N	1	0	364.490	1.192	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC1CCC1)CC2	ZINC001107331051	904462313	/nfs/dbraw/zinc/46/23/13/904462313.db2.gz	ZEGYFKGJYKYZQO-YLJYHZDGSA-N	1	0	363.502	1.466	20	30		FDEDRO
C=CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCN1CCCS1(=O)=O)CC2	ZINC001107326639	904480226	/nfs/dbraw/zinc/48/02/26/904480226.db2.gz	CRXCRHYAQOVWET-SJLPKXTDSA-N	1	0	369.531	1.349	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCC(F)(F)F)CCC[C@@H]12	ZINC001107348169	904549311	/nfs/dbraw/zinc/54/93/11/904549311.db2.gz	UJIBWVPFMZVMPK-IUODEOHRSA-N	1	0	360.380	1.329	20	30		FDEDRO
CCN(CC)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C#N)[nH]3)CCC[C@@H]12	ZINC001107363453	904560466	/nfs/dbraw/zinc/56/04/66/904560466.db2.gz	AMAXJQWJMBVLQN-YLJYHZDGSA-N	1	0	371.485	1.729	20	30		FDEDRO
CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C#N)[nH]3)CCC[C@@H]12	ZINC001107363614	904562003	/nfs/dbraw/zinc/56/20/03/904562003.db2.gz	JJZRPIOPBLMTOH-JNAXZKDPSA-N	1	0	371.485	1.775	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3ccc(C)o3)CCC[C@@H]12	ZINC001107364713	904565783	/nfs/dbraw/zinc/56/57/83/904565783.db2.gz	HEEYMURVAKQOLO-YLJYHZDGSA-N	1	0	357.454	1.241	20	30		FDEDRO
CC(C)CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH]c(C#N)c3)CCC[C@@H]12	ZINC001107366634	904574079	/nfs/dbraw/zinc/57/40/79/904574079.db2.gz	NFWCJNUQMQDVRT-YLJYHZDGSA-N	1	0	371.485	1.633	20	30		FDEDRO
C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC[C@@H]1CCCO1)CC2	ZINC001107374259	904604902	/nfs/dbraw/zinc/60/49/02/904604902.db2.gz	MYLUZSLRCJPDGP-SQGPQFPESA-N	1	0	361.486	1.056	20	30		FDEDRO
C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCc1ccccc1)CC2	ZINC001107374464	904605955	/nfs/dbraw/zinc/60/59/55/904605955.db2.gz	TXOMZRJAZMTZMU-DENIHFKCSA-N	1	0	367.493	1.729	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc[nH]c3CC)CCC[C@@H]12	ZINC001107390731	904643394	/nfs/dbraw/zinc/64/33/94/904643394.db2.gz	LJKMUNRXBXWYJH-YLJYHZDGSA-N	1	0	356.470	1.301	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC(C)C)CC2	ZINC001107402757	904739260	/nfs/dbraw/zinc/73/92/60/904739260.db2.gz	RNTYFOYQCWFKMB-SQGPQFPESA-N	1	0	363.502	1.158	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCc4n[nH]cc43)CCC[C@@H]12	ZINC001107407574	904763407	/nfs/dbraw/zinc/76/34/07/904763407.db2.gz	ASUPAYNHNCFACR-LDQXTDLNSA-N	1	0	370.497	1.840	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccn(CC)n1)CC2	ZINC001107401780	904783206	/nfs/dbraw/zinc/78/32/06/904783206.db2.gz	CCDXTVSSSVILMC-ILZDJORESA-N	1	0	358.486	1.802	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)NC(=O)CC)CCC[C@@H]12	ZINC001107417538	904788874	/nfs/dbraw/zinc/78/88/74/904788874.db2.gz	JKXMJLBRALVPCG-GPMSIDNRSA-N	1	0	351.491	1.465	20	30		FDEDRO
CO[C@H](C[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](OC)C1)C1CCCC1	ZINC001081540933	904799957	/nfs/dbraw/zinc/79/99/57/904799957.db2.gz	XNFIUAJIPQGTLH-KZNAEPCWSA-N	1	0	360.458	1.521	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CN3C(=O)CC(C)(C)C3=O)CCC[C@@H]12	ZINC001107410898	904803311	/nfs/dbraw/zinc/80/33/11/904803311.db2.gz	ZXYNQYPPTGXXRU-FOIQADDNSA-N	1	0	359.470	1.156	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)CN3C(=O)CC(C)(C)C3=O)CCC[C@@H]12	ZINC001107410808	904803560	/nfs/dbraw/zinc/80/35/60/904803560.db2.gz	UFRVWNLDCIHUIX-FOIQADDNSA-N	1	0	361.486	1.708	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCN(Cc2noc(-c3cccs3)n2)CC1	ZINC000764509459	904858161	/nfs/dbraw/zinc/85/81/61/904858161.db2.gz	YFTRYGNXNQHIRK-UHFFFAOYSA-N	1	0	361.471	1.560	20	30		FDEDRO
O=C(Cn1nccn1)NC[C@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2	ZINC001107423012	904874163	/nfs/dbraw/zinc/87/41/63/904874163.db2.gz	VBKLQAVPFZYIPS-TZIWHRDSSA-N	1	0	363.465	1.691	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@]3(C4CCCC4)CCNC3=O)CCC[C@@H]12	ZINC001107442377	904936800	/nfs/dbraw/zinc/93/68/00/904936800.db2.gz	DSRDVQYSCRXFLA-DUXKGJEZSA-N	1	0	357.498	1.677	20	30		FDEDRO
CC(C)(C(N)=O)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccc(C#N)c1)CC2	ZINC001107444574	904945081	/nfs/dbraw/zinc/94/50/81/904945081.db2.gz	PCFZYKIQSJGSGZ-DYESRHJHSA-N	1	0	368.481	1.931	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cn(-c3cccnc3)nn2)[C@H](OC)C1	ZINC001081772902	904981752	/nfs/dbraw/zinc/98/17/52/904981752.db2.gz	GSOUMZGIDVTVGC-NVXWUHKLSA-N	1	0	356.430	1.058	20	30		FDEDRO
Cc1cc(C)c(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)[nH]1	ZINC001107451629	904988233	/nfs/dbraw/zinc/98/82/33/904988233.db2.gz	ZEROSZOARVPFKR-DNVCBOLYSA-N	1	0	357.458	1.246	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1ccn2nnnc2c1	ZINC001080253916	905055998	/nfs/dbraw/zinc/05/59/98/905055998.db2.gz	ZQECDNKAIJJCLS-CXAGYDPISA-N	1	0	361.409	1.246	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3n[nH]c4c3CCCC4)CCC[C@@H]12	ZINC001107460993	905060914	/nfs/dbraw/zinc/06/09/14/905060914.db2.gz	PSNYHDIIELCLCY-WIYYLYMNSA-N	1	0	370.497	1.913	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)CN3CCCNC3=O)CCC[C@@H]12	ZINC001107463919	905072454	/nfs/dbraw/zinc/07/24/54/905072454.db2.gz	GSHYNPYJSKSICW-RHSMWYFYSA-N	1	0	354.882	1.515	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cc[nH]c3C(C)C)C2)C1=O	ZINC001080301762	905095521	/nfs/dbraw/zinc/09/55/21/905095521.db2.gz	FSJMAWZJRLBLPH-DJIMGWMZSA-N	1	0	358.486	1.975	20	30		FDEDRO
CCc1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC#CCOC)CC3)cc(=O)[nH]1	ZINC001107473223	905123448	/nfs/dbraw/zinc/12/34/48/905123448.db2.gz	IREUMABJEFSGNQ-WIYYLYMNSA-N	1	0	371.481	1.974	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CCC[C@@H]12	ZINC001107476920	905143320	/nfs/dbraw/zinc/14/33/20/905143320.db2.gz	UVZYOZZIBPZWMT-XPKBPACGSA-N	1	0	360.498	1.973	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C)c(C)cn3)CCC[C@@H]12	ZINC001107480078	905154528	/nfs/dbraw/zinc/15/45/28/905154528.db2.gz	XNYBFOHYQBITNO-WIYYLYMNSA-N	1	0	368.481	1.422	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cnc3ccccn3c2=O)[C@H](OC)C1	ZINC001081863773	905166034	/nfs/dbraw/zinc/16/60/34/905166034.db2.gz	LOKJGZLHYMVSCZ-HZPDHXFCSA-N	1	0	356.426	1.090	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3cn(CC)nn3)CCC[C@@H]12	ZINC001107481660	905179271	/nfs/dbraw/zinc/17/92/71/905179271.db2.gz	CMVKHGCWYGZYOB-NVXWUHKLSA-N	1	0	351.882	1.954	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@]3(C)C[C@H]4C[C@H]4C3)CCC[C@@H]12	ZINC001107483476	905187501	/nfs/dbraw/zinc/18/75/01/905187501.db2.gz	ZTJIQEVDUHYHQI-JDYRRTIPSA-N	1	0	357.498	1.533	20	30		FDEDRO
C=CC(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCN1C(=O)CCC1=O)CC2	ZINC001107502177	905257878	/nfs/dbraw/zinc/25/78/78/905257878.db2.gz	ASGOKRMAFFNGBK-FOIQADDNSA-N	1	0	361.486	1.708	20	30		FDEDRO
CCC[C@@H](OCC)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107511095	905272242	/nfs/dbraw/zinc/27/22/42/905272242.db2.gz	JTUHZVZBEXBMSL-GPMSIDNRSA-N	1	0	364.490	1.192	20	30		FDEDRO
CCC[C@H](OCC)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107511094	905272669	/nfs/dbraw/zinc/27/26/69/905272669.db2.gz	JTUHZVZBEXBMSL-FRQCXROJSA-N	1	0	364.490	1.192	20	30		FDEDRO
C=C[C@H](CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(=O)NC)CC2	ZINC001107515328	905314564	/nfs/dbraw/zinc/31/45/64/905314564.db2.gz	QWLCOSBCSRIFQY-SPYBWZPUSA-N	1	0	364.490	1.405	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2CC[C@@]3(CNC(=O)C4(C(N)=O)CC4)CCC[C@@H]23)c1	ZINC001107528496	905390342	/nfs/dbraw/zinc/39/03/42/905390342.db2.gz	XRWXZBLZLIMNIV-YLJYHZDGSA-N	1	0	366.465	1.685	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cc2c(C)nc(CC)nc2C)[C@H](OC)C1	ZINC001081959312	905437568	/nfs/dbraw/zinc/43/75/68/905437568.db2.gz	CPHQHXNCIWYLHJ-QZTJIDSGSA-N	1	0	360.502	1.980	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(=O)n3C)CCC[C@@H]12	ZINC001107540564	905452334	/nfs/dbraw/zinc/45/23/34/905452334.db2.gz	SNJRWBXMOBYVNZ-YLJYHZDGSA-N	1	0	359.470	1.562	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2c(C)csc2=O)C[C@H]1C	ZINC001080472380	905495751	/nfs/dbraw/zinc/49/57/51/905495751.db2.gz	RYESQQZHUMMFDO-MIGQKNRLSA-N	1	0	365.499	1.246	20	30		FDEDRO
C#CCN1CC[NH+](C2CCC(NC(=O)[C@H]3CCO[C@H]3C(=C)C)CC2)CC1	ZINC000996795161	905511395	/nfs/dbraw/zinc/51/13/95/905511395.db2.gz	JPUAZVHUWGRJPJ-GUMHCPJTSA-N	1	0	359.514	1.646	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CC(C)(C)CO3)C[C@H]2OC)cc1	ZINC001082012681	905553889	/nfs/dbraw/zinc/55/38/89/905553889.db2.gz	DKYKTGVKAQHBAN-IPMKNSEASA-N	1	0	356.466	1.912	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C4CC4)n[nH]3)CCC[C@@H]12	ZINC001107558048	905588035	/nfs/dbraw/zinc/58/80/35/905588035.db2.gz	PPHOAFYPPNHAJN-YLJYHZDGSA-N	1	0	371.485	1.564	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccn(C(C)C)n3)CCC[C@@H]12	ZINC001107563689	905603588	/nfs/dbraw/zinc/60/35/88/905603588.db2.gz	NIVQERXAWKAIAL-YLJYHZDGSA-N	1	0	371.485	1.188	20	30		FDEDRO
CCCN1C[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)CC1=O	ZINC001080531824	905624976	/nfs/dbraw/zinc/62/49/76/905624976.db2.gz	JSLXSCSXWAXNNB-ATZDWAIDSA-N	1	0	368.481	1.753	20	30		FDEDRO
C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)Nc1cnc(C#N)cn1	ZINC001098288582	905706496	/nfs/dbraw/zinc/70/64/96/905706496.db2.gz	QJIIRMHJDYTDCT-QGTPRVQTSA-N	1	0	364.453	1.610	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCOc3cccc(C)c3)C[C@H]2C)nn1	ZINC001080578937	905734051	/nfs/dbraw/zinc/73/40/51/905734051.db2.gz	HEYWKUNURDDNJL-SJLPKXTDSA-N	1	0	369.469	1.902	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CCC[C@@H]3CCOC3)C[C@H]2OC)c1	ZINC001082118052	905832919	/nfs/dbraw/zinc/83/29/19/905832919.db2.gz	DSYBLWLRXBEKSL-BHIYHBOVSA-N	1	0	357.454	1.309	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CC(=O)NCC(F)(F)F)CCC[C@@H]12	ZINC001107593162	905872938	/nfs/dbraw/zinc/87/29/38/905872938.db2.gz	HLOCXKCXBADGJI-CZUORRHYSA-N	1	0	359.392	1.439	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C	ZINC001082103392	905876623	/nfs/dbraw/zinc/87/66/23/905876623.db2.gz	JGLSLIZRLCFENO-MLHJIOFPSA-N	1	0	365.518	1.805	20	30		FDEDRO
C=CCOCC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001082104574	905885348	/nfs/dbraw/zinc/88/53/48/905885348.db2.gz	OFLUVSXTXDGXJN-YESZJQIVSA-N	1	0	351.491	1.417	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)c1ncccn1	ZINC001080653570	905893608	/nfs/dbraw/zinc/89/36/08/905893608.db2.gz	DOUCKTNUFWDHNL-RHSMWYFYSA-N	1	0	351.410	1.629	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)C(=O)N3CC[C@H](C)C3)CCC[C@@H]12	ZINC001107604048	905942861	/nfs/dbraw/zinc/94/28/61/905942861.db2.gz	DTGNDTJEAWDMHU-JCKWVBRZSA-N	1	0	353.894	1.968	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(COC)c2)C[C@H]1OC	ZINC001082146597	905984870	/nfs/dbraw/zinc/98/48/70/905984870.db2.gz	MBEMPXLDAJTFDL-YSTOQKLRSA-N	1	0	374.481	1.740	20	30		FDEDRO
CN(C)c1ccc(C(N)=[NH+]OCCn2cnc3ccccc3c2=O)cc1	ZINC000764937798	906019203	/nfs/dbraw/zinc/01/92/03/906019203.db2.gz	WGAXPKPXTXKNFU-UHFFFAOYSA-N	1	0	351.410	1.800	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(CC)cc3)CCC[C@@H]12	ZINC001107623286	906030027	/nfs/dbraw/zinc/03/00/27/906030027.db2.gz	ZPKTXDGLWXEVEI-DENIHFKCSA-N	1	0	367.493	1.973	20	30		FDEDRO
C#Cc1ccccc1CC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@@H](O)COC)CC2	ZINC001107621868	906064878	/nfs/dbraw/zinc/06/48/78/906064878.db2.gz	ZOHPSLFPCRZSTJ-KCZVDYSFSA-N	1	0	370.493	1.579	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)CC[C@H]3NC(=O)NC3=O)CCC[C@@H]12	ZINC001107628081	906098577	/nfs/dbraw/zinc/09/85/77/906098577.db2.gz	NDTBCEAXQLAJMC-SPYBWZPUSA-N	1	0	362.474	1.302	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cccn3CC)CCC[C@@H]12	ZINC001107632904	906150196	/nfs/dbraw/zinc/15/01/96/906150196.db2.gz	DFDDABAUIKGHJA-YLJYHZDGSA-N	1	0	358.486	1.785	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1CCCCN(C)C1=O	ZINC001080770084	906200692	/nfs/dbraw/zinc/20/06/92/906200692.db2.gz	UXLGBSCYSCWCGX-AYOQOUSVSA-N	1	0	368.481	1.753	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CCCc3cccc(F)c3)C[C@H]2O)c1	ZINC001077648315	906204707	/nfs/dbraw/zinc/20/47/07/906204707.db2.gz	CSQKHAZUDMUKNO-WOJBJXKFSA-N	1	0	367.424	1.610	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CC(C3CC3)C3CC3)CCC[C@@H]12	ZINC001107647248	906271031	/nfs/dbraw/zinc/27/10/31/906271031.db2.gz	JIXZVWFJJJABMI-DENIHFKCSA-N	1	0	371.525	1.923	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC4CCC3CC4)CCC[C@@H]12	ZINC001107647657	906272390	/nfs/dbraw/zinc/27/23/90/906272390.db2.gz	SJVJSJZUKHPKDM-BOSRLINSSA-N	1	0	371.525	1.923	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCn3nc(C)cc3C)C[C@H]2C)nc1	ZINC001080808153	906296872	/nfs/dbraw/zinc/29/68/72/906296872.db2.gz	LRQAWYYDGKZOIC-AUUYWEPGSA-N	1	0	351.454	1.627	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](CCC3CCCC3)C[C@H]2OC)nn1	ZINC001082218773	906321905	/nfs/dbraw/zinc/32/19/05/906321905.db2.gz	CGFFSDIZAJNDFH-SJLPKXTDSA-N	1	0	361.490	1.864	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(CC=C)C2=O)C[C@H]1C	ZINC001080851710	906446492	/nfs/dbraw/zinc/44/64/92/906446492.db2.gz	WLQUDQVDUNKMMZ-AHRSYUTCSA-N	1	0	365.477	1.434	20	30		FDEDRO
CO[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1	ZINC001082270630	906454616	/nfs/dbraw/zinc/45/46/16/906454616.db2.gz	PRVLXEUORGTCAK-NHCUHLMSSA-N	1	0	369.509	1.585	20	30		FDEDRO
COCCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)cn1	ZINC001080861784	906481710	/nfs/dbraw/zinc/48/17/10/906481710.db2.gz	DAYIPYVHJVCDLT-DNVCBOLYSA-N	1	0	367.453	1.651	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCC(F)(F)CC2)C[C@H]1O	ZINC001077699177	906969429	/nfs/dbraw/zinc/96/94/29/906969429.db2.gz	WINCETLSOHRCCT-FPCVCCKLSA-N	1	0	358.429	1.564	20	30		FDEDRO
Cc1nc[nH]c1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1C	ZINC001081054912	907118459	/nfs/dbraw/zinc/11/84/59/907118459.db2.gz	LTEDOZAKQYVXBS-CXAGYDPISA-N	1	0	353.426	1.871	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1	ZINC001081098736	907163772	/nfs/dbraw/zinc/16/37/72/907163772.db2.gz	KGMIKEAWKXWEBT-ZYSHUDEJSA-N	1	0	364.449	1.629	20	30		FDEDRO
C[NH+]1CCN(c2ccc(NC(=O)CNc3ccc(C#N)cn3)cc2)CC1	ZINC000765469366	907207175	/nfs/dbraw/zinc/20/71/75/907207175.db2.gz	NDUHDKMLGYYTEA-UHFFFAOYSA-N	1	0	350.426	1.756	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccnn2CCOC)C[C@H]1c1ccccc1	ZINC001081129858	907227996	/nfs/dbraw/zinc/22/79/96/907227996.db2.gz	JIHIPTIWBWYGSI-ZWKOTPCHSA-N	1	0	354.454	1.913	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCCS2(=O)=O)C[C@H]1c1ccccc1	ZINC001081151655	907265913	/nfs/dbraw/zinc/26/59/13/907265913.db2.gz	OWLMCQWKZJUQIB-OKZBNKHCSA-N	1	0	362.495	1.724	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc3c(c2)ncn3C)C[C@H]1c1ccccc1	ZINC001081158897	907278951	/nfs/dbraw/zinc/27/89/51/907278951.db2.gz	ZMRMDXVZMYTUIT-PKOBYXMFSA-N	1	0	359.433	1.799	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C(N)=O)C[C@H]1c1ccccc1	ZINC001081213607	907319579	/nfs/dbraw/zinc/31/95/79/907319579.db2.gz	HAVPCOMTWIBHJZ-KSZLIROESA-N	1	0	354.454	1.137	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCCCC(=O)N2)C[C@H]1c1ccccc1	ZINC001081218990	907328831	/nfs/dbraw/zinc/32/88/31/907328831.db2.gz	DVEFDNITMPPOGO-CEXWTWQISA-N	1	0	353.466	1.653	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c(C)ncc3C2)C[C@H]1c1ccccc1	ZINC001081179842	907352711	/nfs/dbraw/zinc/35/27/11/907352711.db2.gz	NDJXEMGMWSFEHZ-HLAWJBBLSA-N	1	0	362.477	1.971	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082406759	907602342	/nfs/dbraw/zinc/60/23/42/907602342.db2.gz	RZQXBZHUMSMYBT-DNVCBOLYSA-N	1	0	357.454	1.952	20	30		FDEDRO
O=S(=O)(NC1CCCC1)c1ccc(N=NC2CC[N@@H+]3CCC[C@H]23)nc1	ZINC000765572087	907638345	/nfs/dbraw/zinc/63/83/45/907638345.db2.gz	JAWHNPJWRMABCC-MRXNPFEDSA-N	1	0	363.487	1.939	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C)C(=O)N1CCCCCC1	ZINC001082464864	907900490	/nfs/dbraw/zinc/90/04/90/907900490.db2.gz	NAZJYJJPHRSSHJ-RVKKMQEKSA-N	1	0	371.485	1.728	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)CCc3nnc[nH]3)C[C@H]2C)cc1C#N	ZINC001082465834	907904249	/nfs/dbraw/zinc/90/42/49/907904249.db2.gz	YPGKBYGUPFZFPK-CZUORRHYSA-N	1	0	368.441	1.254	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cc(C)ncn3)C[C@H]2C)cc1C#N	ZINC001082478536	907944129	/nfs/dbraw/zinc/94/41/29/907944129.db2.gz	BWFISNHACUWAPJ-FZKQIMNGSA-N	1	0	365.437	1.916	20	30		FDEDRO
COc1cccc([C@H](O)C[NH2+][C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)c1	ZINC001082480370	907948722	/nfs/dbraw/zinc/94/87/22/907948722.db2.gz	FGRNSBCCXBHJEX-UPRAQXHNSA-N	1	0	368.437	1.679	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)n3cncn3)C[C@H]2C)cc1C#N	ZINC001082481599	907955657	/nfs/dbraw/zinc/95/56/57/907955657.db2.gz	FQAUMQXLXLSMLI-CKEIUWERSA-N	1	0	368.441	1.356	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082490124	907995910	/nfs/dbraw/zinc/99/59/10/907995910.db2.gz	BHFWZEGDCMHABM-IAQYHMDHSA-N	1	0	358.373	1.239	20	30		FDEDRO
CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(C#N)ccc3F)C2)C1	ZINC001082489997	907996173	/nfs/dbraw/zinc/99/61/73/907996173.db2.gz	YCDPYPCBYYYGIY-KZULUSFZSA-N	1	0	358.417	1.112	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]CCn1cnc2ccccc2c1=O	ZINC001082504596	908116233	/nfs/dbraw/zinc/11/62/33/908116233.db2.gz	MQVCFUNPFUXGEG-DNVCBOLYSA-N	1	0	364.449	1.246	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2nn(C)cc2C)C[C@H]1C	ZINC001082505826	908127425	/nfs/dbraw/zinc/12/74/25/908127425.db2.gz	KCTIXSQBMCJLGY-CXAGYDPISA-N	1	0	367.453	1.859	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@H]2O)cc1	ZINC001077797932	908141973	/nfs/dbraw/zinc/14/19/73/908141973.db2.gz	PTJRGLGPZRHBKY-GUDVDZBRSA-N	1	0	358.438	1.043	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1	ZINC001082532140	908286508	/nfs/dbraw/zinc/28/65/08/908286508.db2.gz	ACIIWVXENPIJAN-DGCLKSJQSA-N	1	0	355.866	1.351	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2	ZINC000997352587	908300505	/nfs/dbraw/zinc/30/05/05/908300505.db2.gz	USAKWLGWBOVBTM-NBMRYCAZSA-N	1	0	354.454	1.770	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cnc3[nH]cnc3c2)C[C@H]1C	ZINC001082537826	908344601	/nfs/dbraw/zinc/34/46/01/908344601.db2.gz	LBVORUVCHFYIET-NOZJJQNGSA-N	1	0	364.247	1.917	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CCCc3ccc(C)cc3)C[C@H]2O)nn1	ZINC001077802555	908346679	/nfs/dbraw/zinc/34/66/79/908346679.db2.gz	NHGOCJDRGWCYSL-IEBWSBKVSA-N	1	0	369.469	1.180	20	30		FDEDRO
C=CCCCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1	ZINC001107951245	908361230	/nfs/dbraw/zinc/36/12/30/908361230.db2.gz	KKSLNPPONXJOPE-MBOZVWFJSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCOCCN1CCO[C@](C)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001107952586	908395808	/nfs/dbraw/zinc/39/58/08/908395808.db2.gz	HTTYVJXSNDRPBN-YQVWRLOYSA-N	1	0	353.507	1.126	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)CCc2c[nH]cn2)C[C@H]1C	ZINC001082549584	908491322	/nfs/dbraw/zinc/49/13/22/908491322.db2.gz	LMQALOZMBCSDMP-RDTXWAMCSA-N	1	0	367.453	1.859	20	30		FDEDRO
Cc1c(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(C#N)ccc3F)C2)cnn1C	ZINC001082551780	908510998	/nfs/dbraw/zinc/51/09/98/908510998.db2.gz	ARNRSMAQBMVFGJ-BFUOFWGJSA-N	1	0	369.444	1.919	20	30		FDEDRO
CS(=O)(=O)N1CCC[C@H]([NH2+]Cc2cc(C#N)ccc2Br)C1	ZINC000921613328	908577134	/nfs/dbraw/zinc/57/71/34/908577134.db2.gz	PKHLKNRDVUNQHW-ZDUSSCGKSA-N	1	0	372.288	1.834	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(NC(=O)C(C)(C)[NH+]2CCCC2)C1	ZINC000997390431	908626285	/nfs/dbraw/zinc/62/62/85/908626285.db2.gz	OPXBFBGUOLCFBF-IRXDYDNUSA-N	1	0	363.502	1.559	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn3ccncc23)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082562475	908641050	/nfs/dbraw/zinc/64/10/50/908641050.db2.gz	ONNYUDMTIJFTEE-MLGOLLRUSA-N	1	0	366.450	1.913	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082562789	908644492	/nfs/dbraw/zinc/64/44/92/908644492.db2.gz	MGGPNDHLHMDBTP-CXAGYDPISA-N	1	0	351.410	1.397	20	30		FDEDRO
Cc1nn(C)cc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC001082563988	908658895	/nfs/dbraw/zinc/65/88/95/908658895.db2.gz	OASNMOLZLLDEHB-BFUOFWGJSA-N	1	0	369.444	1.919	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082576238	908743623	/nfs/dbraw/zinc/74/36/23/908743623.db2.gz	XGOWHEBVRPYMPM-CSMYWGQOSA-N	1	0	358.417	1.160	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cnc[nH]c3=O)C[C@H]2C)cc1C#N	ZINC001082583365	908885585	/nfs/dbraw/zinc/88/55/85/908885585.db2.gz	OHUOHNYTLLUZJQ-MLGOLLRUSA-N	1	0	367.409	1.313	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCc3cncn3C2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082604676	908928289	/nfs/dbraw/zinc/92/82/89/908928289.db2.gz	XNIZQXQQBUFXCU-XFQXTVEOSA-N	1	0	363.465	1.954	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2COC)C[C@H]1C	ZINC001082602121	908972701	/nfs/dbraw/zinc/97/27/01/908972701.db2.gz	NHVMENYGXHXLHD-ZWNOBZJWSA-N	1	0	371.279	1.525	20	30		FDEDRO
C#CCN(C(=O)NCc1c(CC)c(CC)n[nH]c1=O)C1CC[NH+](C)CC1	ZINC000921630719	908999062	/nfs/dbraw/zinc/99/90/62/908999062.db2.gz	BVCDMYOZCDYYHT-UHFFFAOYSA-N	1	0	359.474	1.546	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ccnnc3C)C[C@H]2C)cc1C#N	ZINC001082620823	909126854	/nfs/dbraw/zinc/12/68/54/909126854.db2.gz	ZCTIVTZNVNFSNP-FZKQIMNGSA-N	1	0	365.437	1.916	20	30		FDEDRO
Cc1cc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)n(C)n1	ZINC001082641363	909272888	/nfs/dbraw/zinc/27/28/88/909272888.db2.gz	IXHPAHGHMSCAOF-BFUOFWGJSA-N	1	0	369.444	1.919	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)Cc2cn(CC)nn2)C[C@H]1C	ZINC001082657459	909418569	/nfs/dbraw/zinc/41/85/69/909418569.db2.gz	YUUXSFFEVQTBIX-ZWNOBZJWSA-N	1	0	356.268	1.186	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2COCCN2CC(F)F)C[C@H]1C	ZINC001082665021	909448461	/nfs/dbraw/zinc/44/84/61/909448461.db2.gz	UPKGLUOEUMNCJV-RAIGVLPGSA-N	1	0	351.825	1.141	20	30		FDEDRO
Cc1noc(CCC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)n1	ZINC001082674866	909525624	/nfs/dbraw/zinc/52/56/24/909525624.db2.gz	GWMNFMUSIMCVCN-CXAGYDPISA-N	1	0	353.426	1.819	20	30		FDEDRO
Cc1n[nH]cc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1	ZINC001082675234	909529898	/nfs/dbraw/zinc/52/98/98/909529898.db2.gz	KFVMJNGSWWGDLS-FZKQIMNGSA-N	1	0	353.426	1.871	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc(CCC)n[nH]3)C[C@H]2C)C1=O	ZINC001082676677	909543349	/nfs/dbraw/zinc/54/33/49/909543349.db2.gz	LEEHJEDSSMWPFE-FRFSOERESA-N	1	0	359.474	1.199	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCOC[C@H]2C2CC2)C1	ZINC001082685884	909573454	/nfs/dbraw/zinc/57/34/54/909573454.db2.gz	VAVJXDWSUJIKFD-OIISXLGYSA-N	1	0	363.502	1.273	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc[nH]c3C(C)C)C[C@H]2C)C1=O	ZINC001082697402	909653456	/nfs/dbraw/zinc/65/34/56/909653456.db2.gz	BWCGHSKCRCLJCD-HYVNUMGLSA-N	1	0	358.486	1.975	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCc3nn[nH]c32)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082710089	909759182	/nfs/dbraw/zinc/75/91/82/909759182.db2.gz	FZSYTYULPLLMSV-RPVQJOFSSA-N	1	0	364.453	1.733	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccc(OC)cc3C)C[C@H]2C)C1=O	ZINC001082717186	909803454	/nfs/dbraw/zinc/80/34/54/909803454.db2.gz	YDASAHHHLDOHKS-ATZDWAIDSA-N	1	0	371.481	1.841	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OC)nc3)C2)c1	ZINC001082729954	909862949	/nfs/dbraw/zinc/86/29/49/909862949.db2.gz	QOUCHLAEIJOWFG-RDTXWAMCSA-N	1	0	350.422	1.717	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCCCCC3)C2)c1	ZINC001082730227	909864783	/nfs/dbraw/zinc/86/47/83/909864783.db2.gz	HNTBRXXFCXVYQZ-VQIMIIECSA-N	1	0	368.481	1.516	20	30		FDEDRO
CCc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)nnn1CC	ZINC001082737143	909910737	/nfs/dbraw/zinc/91/07/37/909910737.db2.gz	JNZLCZLVUNPLIT-RHSMWYFYSA-N	1	0	366.469	1.982	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082738318	909919630	/nfs/dbraw/zinc/91/96/30/909919630.db2.gz	KTUBSUKNIYAOGY-FXHACXQTSA-N	1	0	358.417	1.160	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)C2(COC)CCCCC2)[C@H](OC)C1	ZINC001212381893	909972253	/nfs/dbraw/zinc/97/22/53/909972253.db2.gz	OGZYUAMUTLBGAI-IAGOWNOFSA-N	1	0	354.491	1.601	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnns2)C1	ZINC001082795340	910179800	/nfs/dbraw/zinc/17/98/00/910179800.db2.gz	SNZBLUWWPFGHIO-BVUBDWEXSA-N	1	0	350.488	1.846	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc(CCC)on3)C[C@H]2C)C1=O	ZINC001082834106	910395765	/nfs/dbraw/zinc/39/57/65/910395765.db2.gz	XAYZLQXIXXNCAZ-FRFSOERESA-N	1	0	360.458	1.464	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1C	ZINC001082861292	910454753	/nfs/dbraw/zinc/45/47/53/910454753.db2.gz	VEXHJFWUBXAVIA-RDTXWAMCSA-N	1	0	367.453	1.480	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnn(C)c2)C1	ZINC001082851401	910463537	/nfs/dbraw/zinc/46/35/37/910463537.db2.gz	BRECAEFGAZPHJI-GDBMZVCRSA-N	1	0	355.442	1.630	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccn(C)n2)C1	ZINC001082851384	910463751	/nfs/dbraw/zinc/46/37/51/910463751.db2.gz	AVBAVZPEMXNZSJ-GDBMZVCRSA-N	1	0	355.442	1.630	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[NH2+][C@H](C)c2nnc(C)[nH]2)CC1	ZINC000998147804	910466074	/nfs/dbraw/zinc/46/60/74/910466074.db2.gz	GZJROORQUPBLIG-COXVUDFISA-N	1	0	361.490	1.984	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[NH2+][C@@H](C)c2nnnn2C)CC1	ZINC000998148320	910468568	/nfs/dbraw/zinc/46/85/68/910468568.db2.gz	NPAXBOIKZRMHHV-BPUTZDHNSA-N	1	0	362.478	1.081	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3n[nH]cc3C2)C[C@H]1C	ZINC001082858171	910500258	/nfs/dbraw/zinc/50/02/58/910500258.db2.gz	TVFQTJXIZGFXMR-IFUGULHKSA-N	1	0	367.291	1.860	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nccnc2C)C1	ZINC001082868925	910508184	/nfs/dbraw/zinc/50/81/84/910508184.db2.gz	DECOUTVBFKJCOU-RDTXWAMCSA-N	1	0	365.437	1.442	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCc3cnn(CC)c3)C[C@H]2OC)CCC1	ZINC001212393466	910671501	/nfs/dbraw/zinc/67/15/01/910671501.db2.gz	OESRCAPMUJQHCL-QZTJIDSGSA-N	1	0	358.486	1.455	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccc(OCC)cc3)C[C@H]2C)C1=O	ZINC001082894941	910725653	/nfs/dbraw/zinc/72/56/53/910725653.db2.gz	VLCGESKVPDXMRE-AYOQOUSVSA-N	1	0	371.481	1.922	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2CN(CCC(F)(F)F)C[C@H]2OC)CCOCC1	ZINC001212395228	910727274	/nfs/dbraw/zinc/72/72/74/910727274.db2.gz	BIOSCGUVLNORQY-ZIAGYGMSSA-N	1	0	362.392	1.574	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@H]2OC)CCOCC1	ZINC001212395422	910733899	/nfs/dbraw/zinc/73/38/99/910733899.db2.gz	GEDLFFLGVOJGGG-KZNAEPCWSA-N	1	0	364.486	1.049	20	30		FDEDRO
C#Cc1cccc(NC(=S)NNC(=S)NCC(C)(C)C[NH+](C)C)c1	ZINC000727288841	910739044	/nfs/dbraw/zinc/73/90/44/910739044.db2.gz	BKFGHRCOGXSXQT-UHFFFAOYSA-N	1	0	363.556	1.921	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](N[C@H](C)c3nnc(C)o3)C2)CC1	ZINC001082941129	911015618	/nfs/dbraw/zinc/01/56/18/911015618.db2.gz	RKXUDXODDKWQMD-CKEIUWERSA-N	1	0	359.474	1.221	20	30		FDEDRO
CCn1nc(C)c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(C#N)ccc3F)C2)n1	ZINC001082961814	911182519	/nfs/dbraw/zinc/18/25/19/911182519.db2.gz	VEFKTUKGAMCBEQ-SJKOYZFVSA-N	1	0	370.432	1.868	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(C#N)c[nH]2)C1	ZINC000998625167	911328792	/nfs/dbraw/zinc/32/87/92/911328792.db2.gz	LVUPWAHKNUPPJL-UTXMOHQDSA-N	1	0	355.442	1.090	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCn4cc(C)nc4C3)[C@H]2C1	ZINC001083120498	911931233	/nfs/dbraw/zinc/93/12/33/911931233.db2.gz	PPZOBTHRJJZYDK-FGTMMUONSA-N	1	0	358.486	1.632	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCc2nnc(C[NH2+]CCCF)n2CC1	ZINC001128040711	911935445	/nfs/dbraw/zinc/93/54/45/911935445.db2.gz	UCZUGYAEFGUMJN-KFWWJZLASA-N	1	0	365.453	1.140	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)COc3ccc(F)cc3F)[C@H]2C1	ZINC001083099065	912004675	/nfs/dbraw/zinc/00/46/75/912004675.db2.gz	SFLZXMMKLQPCFK-DOTOQJQBSA-N	1	0	352.381	1.831	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CCO[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@@H]21	ZINC001083106200	912046928	/nfs/dbraw/zinc/04/69/28/912046928.db2.gz	PVODDMDISYUMHV-YTQUADARSA-N	1	0	359.470	1.768	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4c(c3)N(C)C(=O)C4)[C@H]2C1	ZINC001083132850	912140573	/nfs/dbraw/zinc/14/05/73/912140573.db2.gz	QMXWJPZBBBSYRZ-ZWKOTPCHSA-N	1	0	355.438	1.307	20	30		FDEDRO
C=CCC(C)(C)C(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1	ZINC001065206887	915091746	/nfs/dbraw/zinc/09/17/46/915091746.db2.gz	NNFBHVAUKNBHDS-OWCLPIDISA-N	1	0	351.491	1.273	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cncc(-n4ccnn4)c3)[C@@H]2C1	ZINC001084546677	915305333	/nfs/dbraw/zinc/30/53/33/915305333.db2.gz	AXXXEUPYQLWQQI-CRAIPNDOSA-N	1	0	352.442	1.775	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)[C@@H]2C1	ZINC001084557604	915361039	/nfs/dbraw/zinc/36/10/39/915361039.db2.gz	GBLMTDVLYPEINP-GDBMZVCRSA-N	1	0	360.458	1.628	20	30		FDEDRO
Cc1noc(CCC(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)n1	ZINC001084562406	915458066	/nfs/dbraw/zinc/45/80/66/915458066.db2.gz	QSPRIQNPVRMZQS-QZTJIDSGSA-N	1	0	365.437	1.915	20	30		FDEDRO
CN1CC[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1=O	ZINC001084589863	915513029	/nfs/dbraw/zinc/51/30/29/915513029.db2.gz	RZODRGNCESKCOK-FGTMMUONSA-N	1	0	352.438	1.069	20	30		FDEDRO
C[C@@]1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)CCNC1=O	ZINC001084658671	915915175	/nfs/dbraw/zinc/91/51/75/915915175.db2.gz	SAHAXQNQTLEILY-MBOZVWFJSA-N	1	0	352.438	1.117	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(Cc4cccc(C#N)c4)C[C@H]32)C1	ZINC001084661977	915955449	/nfs/dbraw/zinc/95/54/49/915955449.db2.gz	QBFFTCBFQQPNKG-NSISKUIASA-N	1	0	352.482	1.933	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)CC1	ZINC000730093050	916111449	/nfs/dbraw/zinc/11/14/49/916111449.db2.gz	WZCXWIUHNSDEGL-UHFFFAOYSA-N	1	0	371.416	1.408	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@H]3CC[N@H+](CCn4cncn4)C[C@H]32)cc1	ZINC001084708870	916393391	/nfs/dbraw/zinc/39/33/91/916393391.db2.gz	XLVKZVXLMPCFIO-IEBWSBKVSA-N	1	0	365.437	1.137	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3CC[N@H+](CCC[C@@H]4CCOC4)C[C@H]32)nn1	ZINC001084708774	916393904	/nfs/dbraw/zinc/39/39/04/916393904.db2.gz	SUAQXHSDPLYFKK-JFIYKMOQSA-N	1	0	359.474	1.427	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC(=O)N(C)[C@@H]3c3cccnc3)[C@@H]2C1	ZINC001084713970	916433842	/nfs/dbraw/zinc/43/38/42/916433842.db2.gz	HOJGGTJMYNKKSA-AJYBTWMASA-N	1	0	366.465	1.157	20	30		FDEDRO
C#CCOc1ccccc1C[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1	ZINC000730260396	916435615	/nfs/dbraw/zinc/43/56/15/916435615.db2.gz	GRXLBLOHCWKTQA-UHFFFAOYSA-N	1	0	374.462	1.857	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@H]3CC[N@H+](CC[C@H]4CCCO4)C[C@H]32)nn1	ZINC001084713347	916450508	/nfs/dbraw/zinc/45/05/08/916450508.db2.gz	XSILQJVQGAOKCL-JFIYKMOQSA-N	1	0	359.474	1.570	20	30		FDEDRO
C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCO1	ZINC001065210236	917241176	/nfs/dbraw/zinc/24/11/76/917241176.db2.gz	BXWWIENUCVLHHV-OWCLPIDISA-N	1	0	351.491	1.273	20	30		FDEDRO
C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC000730915673	917470743	/nfs/dbraw/zinc/47/07/43/917470743.db2.gz	NGYLGDOEFYGKOF-GJZGRUSLSA-N	1	0	358.442	1.907	20	30		FDEDRO
O=C(C[NH+]1CCCC1)N1C[C@H]2CCN(CC#Cc3ccc(F)cc3)C[C@H]21	ZINC001084832624	917532665	/nfs/dbraw/zinc/53/26/65/917532665.db2.gz	PMVLGYWSPSUZGS-UYAOXDASSA-N	1	0	355.457	1.806	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4coc(C)n4)C[C@H]32)CC1	ZINC001084850951	917657175	/nfs/dbraw/zinc/65/71/75/917657175.db2.gz	FSAYIIFCLUVNBS-IEBWSBKVSA-N	1	0	356.470	1.361	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4nc(C)oc4C)C[C@H]32)CC1	ZINC001084851266	917660734	/nfs/dbraw/zinc/66/07/34/917660734.db2.gz	UXGUHVKQVDCQEN-UYAOXDASSA-N	1	0	370.497	1.669	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c1	ZINC000731129079	917775430	/nfs/dbraw/zinc/77/54/30/917775430.db2.gz	GVAAJKQTKDSWJN-UHFFFAOYSA-N	1	0	357.454	1.970	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H]2CC[N@H+](Cc3cc(=O)[nH]c(C4CC4)n3)[C@H]2C1	ZINC001084906858	918173360	/nfs/dbraw/zinc/17/33/60/918173360.db2.gz	JZZKXHQWOGKSDF-ZENOOKHLSA-N	1	0	355.442	1.642	20	30		FDEDRO
Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]32)n1	ZINC001084923333	918331200	/nfs/dbraw/zinc/33/12/00/918331200.db2.gz	KYZWWTJUXZOWKF-QAPCUYQASA-N	1	0	367.457	1.331	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ccnn4CC)C[C@@H]32)C1=O	ZINC001084927723	918415130	/nfs/dbraw/zinc/41/51/30/918415130.db2.gz	PAYDMFDOPUILEL-JZXOWHBKSA-N	1	0	371.485	1.226	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)CCc4ncc[nH]4)C[C@@H]32)C1=O	ZINC001084931077	918466108	/nfs/dbraw/zinc/46/61/08/918466108.db2.gz	ZMSIXMREEKNATP-ULQDDVLXSA-N	1	0	371.485	1.052	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc([C@H]4CCCN4C)[nH]n3)C[C@@H]21	ZINC001084946586	918661982	/nfs/dbraw/zinc/66/19/82/918661982.db2.gz	YXKHCCWDKDNXMR-LZQZEXGQSA-N	1	0	355.486	1.736	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]2CC[N@H+](C)C2)c1	ZINC000731895986	918764272	/nfs/dbraw/zinc/76/42/72/918764272.db2.gz	FGGNMFSPQZPWAJ-LAVFMPCWSA-N	1	0	364.471	1.390	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(-c4ccn(C)c4)n[nH]3)C[C@@H]21	ZINC001084955453	918786859	/nfs/dbraw/zinc/78/68/59/918786859.db2.gz	CCDBFCBSSKBRSE-BEFAXECRSA-N	1	0	351.454	1.975	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(=O)[nH]c4ncn(C)c43)C[C@@H]21	ZINC001084956087	918792361	/nfs/dbraw/zinc/79/23/61/918792361.db2.gz	RIDZUAHLCNJOGD-HIFRSBDPSA-N	1	0	353.426	1.234	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CNC(=O)c4ccccc43)C[C@@H]21	ZINC001084960630	918835078	/nfs/dbraw/zinc/83/50/78/918835078.db2.gz	YKKABPKKTUBBRY-MNEFBYGVSA-N	1	0	351.450	1.460	20	30		FDEDRO
COc1cc(C=NNC(=S)NCCC[NH+](C)C)cc2c1OCCO2	ZINC000731928473	918845119	/nfs/dbraw/zinc/84/51/19/918845119.db2.gz	KAMPIZVVDQELFM-UHFFFAOYSA-N	1	0	352.460	1.216	20	30		FDEDRO
C[NH+](C)CCCNC(=S)NN=Cc1cc(Cl)c2c(c1)OCCO2	ZINC000731928689	918845236	/nfs/dbraw/zinc/84/52/36/918845236.db2.gz	NRMRBMJJESPUBY-UHFFFAOYSA-N	1	0	356.879	1.861	20	30		FDEDRO
CC(=NNC(=S)NCCC[NH+](C)C)c1ccc(N2CCOCC2)cc1	ZINC000731930809	918852964	/nfs/dbraw/zinc/85/29/64/918852964.db2.gz	NEGCIAOPQJBPOT-UHFFFAOYSA-N	1	0	363.531	1.663	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3c3ncccn3)C[C@@H]21	ZINC001084962064	918869984	/nfs/dbraw/zinc/86/99/84/918869984.db2.gz	PKLHAAZVAHFDGN-SQNIBIBYSA-N	1	0	353.470	1.392	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cnccc3C)[C@H]2C1	ZINC001084961265	918907861	/nfs/dbraw/zinc/90/78/61/918907861.db2.gz	WYUIZFNCIQAVFM-GIVPXCGWSA-N	1	0	366.509	1.910	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC4N=NC(=O)N4C3)C[C@@H]21	ZINC001084975200	919051720	/nfs/dbraw/zinc/05/17/20/919051720.db2.gz	PZRAQNMWKAGVJU-PMPSAXMXSA-N	1	0	359.474	1.435	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCS(=O)(=O)C3)C[C@@H]21	ZINC001084983952	919201496	/nfs/dbraw/zinc/20/14/96/919201496.db2.gz	VLFPAHZUVZHTDL-BBWFWOEESA-N	1	0	354.516	1.700	20	30		FDEDRO
N#CCOc1ccc(CC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1	ZINC000732308248	919353319	/nfs/dbraw/zinc/35/33/19/919353319.db2.gz	VRZVQETUINTICK-LJQANCHMSA-N	1	0	357.454	1.891	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4cncn4)nc3)C[C@@H]21	ZINC001085002526	919489669	/nfs/dbraw/zinc/48/96/69/919489669.db2.gz	MWYXNKVPDLMFKG-WBVHZDCISA-N	1	0	350.426	1.222	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CCN(C(=O)C(C)C)CC3)C[C@@H]21	ZINC001085002869	919497866	/nfs/dbraw/zinc/49/78/66/919497866.db2.gz	TVIXHDKJKGIKRR-MJGOQNOKSA-N	1	0	359.514	1.827	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CCNC4=O)C[C@@H]32)c1	ZINC001085005267	919505984	/nfs/dbraw/zinc/50/59/84/919505984.db2.gz	NPHDGKISWHPKMQ-SQNIBIBYSA-N	1	0	352.438	1.117	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](C[C@@H]3CCCS(=O)(=O)C3)[C@H]2C1	ZINC001085006247	919570655	/nfs/dbraw/zinc/57/06/55/919570655.db2.gz	IXOOFMWXNUFJDC-BBWFWOEESA-N	1	0	368.543	1.946	20	30		FDEDRO
CN1CC[C@@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4ccccc4C#N)[C@H]3C2)C1=O	ZINC001085012437	919594958	/nfs/dbraw/zinc/59/49/58/919594958.db2.gz	QKQBNHQSKMKWDS-LZQZEXGQSA-N	1	0	366.465	1.459	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CCN(CC(F)F)CC3)C[C@@H]21	ZINC001085017768	919697391	/nfs/dbraw/zinc/69/73/91/919697391.db2.gz	XUCROSBTPBQQKT-WBVHZDCISA-N	1	0	353.457	1.910	20	30		FDEDRO
O=C(c1c[nH]c(=O)cn1)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001085018598	919713249	/nfs/dbraw/zinc/71/32/49/919713249.db2.gz	HDBXUWLNEJUFAM-MJGOQNOKSA-N	1	0	362.433	1.358	20	30		FDEDRO
C[C@]1(C(=O)N2CC[C@H]3CC[N@H+](Cc4cccc(C#N)c4)[C@H]3C2)CCNC1=O	ZINC001085030742	919876770	/nfs/dbraw/zinc/87/67/70/919876770.db2.gz	QWNHVLJTNSKIKK-LQWHRVPQSA-N	1	0	366.465	1.507	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)C4(CF)CCC4)C[C@@H]32)C1=O	ZINC001085037482	919963171	/nfs/dbraw/zinc/96/31/71/919963171.db2.gz	IYRDMAYLECFRPF-ULQDDVLXSA-N	1	0	363.477	1.836	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4ocnc4C)[C@H]3C2)nn1	ZINC001085051847	920100015	/nfs/dbraw/zinc/10/00/15/920100015.db2.gz	MZRMIBVOPNFBNE-ZBFHGGJFSA-N	1	0	356.430	1.497	20	30		FDEDRO
Cn1ncc(C(=O)N2CC[C@H]3CC[N@H+](Cc4cccc(C#N)c4)[C@H]3C2)n1	ZINC001085056296	920199230	/nfs/dbraw/zinc/19/92/30/920199230.db2.gz	RCIOFKQUZIFFSF-AEFFLSMTSA-N	1	0	350.426	1.423	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cnn4cc(OC)ccc34)C[C@@H]21	ZINC001085057483	920216796	/nfs/dbraw/zinc/21/67/96/920216796.db2.gz	FZJJKQGPOHQPKX-BEFAXECRSA-N	1	0	352.438	1.903	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)Cc4ccco4)C[C@@H]32)C1=O	ZINC001085060433	920258667	/nfs/dbraw/zinc/25/86/67/920258667.db2.gz	CRNJGIMNVCDJOU-SZMVWBNQSA-N	1	0	357.454	1.532	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C[C@@H]21	ZINC001085074260	920522913	/nfs/dbraw/zinc/52/29/13/920522913.db2.gz	UBUYFNOOBZZWAU-OLZOCXBDSA-N	1	0	362.430	1.399	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ccc(=O)[nH]c4)C[C@@H]32)C1=O	ZINC001085086861	920718038	/nfs/dbraw/zinc/71/80/38/920718038.db2.gz	FXXYMSFQESBZTF-XIRDDKMYSA-N	1	0	370.453	1.111	20	30		FDEDRO
O=C(NCC[NH2+]Cc1ccccc1N1CCOCC1)C1N=CC=CC1=O	ZINC000733333256	920989558	/nfs/dbraw/zinc/98/95/58/920989558.db2.gz	KIHFXRRKKYMYAV-HNENSFHCSA-N	1	0	356.426	1.139	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4[nH]c(=O)n(C)c4c3)C[C@@H]21	ZINC001085108599	921017805	/nfs/dbraw/zinc/01/78/05/921017805.db2.gz	PBQVSFVUEYYJDC-KDOFPFPSSA-N	1	0	352.438	1.839	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)[nH]1)C(=O)N1CCCCC1	ZINC001085172341	921983853	/nfs/dbraw/zinc/98/38/53/921983853.db2.gz	WGXUTNLOVNLCEK-USXIJHARSA-N	1	0	371.485	1.918	20	30		FDEDRO
C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1)n1cncn1	ZINC001085175090	921996611	/nfs/dbraw/zinc/99/66/11/921996611.db2.gz	DTHNHLJQYRBIST-BMGDILEWSA-N	1	0	352.442	1.928	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(C#N)c2)C1=O	ZINC001085176829	922007647	/nfs/dbraw/zinc/00/76/47/922007647.db2.gz	YJYHSNSXDQZQIL-ZACQAIPSSA-N	1	0	355.442	1.304	20	30		FDEDRO
Cn1ncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)c1N	ZINC001085178856	922028879	/nfs/dbraw/zinc/02/88/79/922028879.db2.gz	YXQGJCMNZGHECF-IAGOWNOFSA-N	1	0	352.442	1.705	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2COC(=O)N2)ccc1F	ZINC001085187136	922072104	/nfs/dbraw/zinc/07/21/04/922072104.db2.gz	USFJVEPGYXGNGM-OAGGEKHMSA-N	1	0	360.389	1.323	20	30		FDEDRO
Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(OCC#N)cc2)nn1	ZINC001085189846	922149695	/nfs/dbraw/zinc/14/96/95/922149695.db2.gz	XCTWHBJGSKXONQ-IAGOWNOFSA-N	1	0	368.441	1.548	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@H](CNc3ccnc(C#N)n3)CC2)CC[N@@H+]1C	ZINC001065946068	922506443	/nfs/dbraw/zinc/50/64/43/922506443.db2.gz	QJFWHYTYWLIMNK-QBPKDAKJSA-N	1	0	370.501	1.445	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1	ZINC001085197845	922520909	/nfs/dbraw/zinc/52/09/09/922520909.db2.gz	NYDLHASHVNSMQS-NWANDNLSSA-N	1	0	365.865	1.532	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(c4nc(C)ccc4C#N)C[C@H]3C2)CC[N@@H+]1C	ZINC001066079852	922551808	/nfs/dbraw/zinc/55/18/08/922551808.db2.gz	SAMXFBUWEIACRV-ZSYWTGECSA-N	1	0	367.497	1.887	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@H]2CCN3c2cnc(C#N)cn2)CC[N@@H+]1C	ZINC001066203770	922626928	/nfs/dbraw/zinc/62/69/28/922626928.db2.gz	WOLSCLSIVGGJTI-XWTMOSNGSA-N	1	0	368.485	1.648	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccn(C)c(=O)c1	ZINC001085203058	922674534	/nfs/dbraw/zinc/67/45/34/922674534.db2.gz	MIXHBLFDORYJKS-MKXGPGLRSA-N	1	0	373.497	1.884	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@]1(CO)CCCN(Cc2ccccc2)C1	ZINC000734000209	922779641	/nfs/dbraw/zinc/77/96/41/922779641.db2.gz	OCMVSMYFUBVBAG-NQIIRXRSSA-N	1	0	372.513	1.611	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc3n(n2)CCO3)cc1	ZINC001085226962	922952720	/nfs/dbraw/zinc/95/27/20/922952720.db2.gz	ZVZVOSCYMSQUJH-IAGOWNOFSA-N	1	0	365.437	1.978	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCNC2=O)cc1	ZINC001085247812	923150896	/nfs/dbraw/zinc/15/08/96/923150896.db2.gz	CRAHNEUOFOBXCJ-KURKYZTESA-N	1	0	357.454	1.771	20	30		FDEDRO
C=CC[C@@H](NC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1)c1ccncc1	ZINC000734683554	923582579	/nfs/dbraw/zinc/58/25/79/923582579.db2.gz	NSOYVULNQVGOPU-GOSISDBHSA-N	1	0	373.501	1.894	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCC2)cc1	ZINC001085292939	923606114	/nfs/dbraw/zinc/60/61/14/923606114.db2.gz	LDVAZSADQWHMGA-RTBURBONSA-N	1	0	353.466	1.921	20	30		FDEDRO
C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)CCNC1=O	ZINC001085329831	923922911	/nfs/dbraw/zinc/92/29/11/923922911.db2.gz	HZKNQFZUNVYGSJ-MBOZVWFJSA-N	1	0	354.454	1.601	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[C@H]2C(N)=O)ccc1F	ZINC001085335005	923972080	/nfs/dbraw/zinc/97/20/80/923972080.db2.gz	VWFPYOSPGVDPAY-YALNPMBYSA-N	1	0	358.417	1.336	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2[nH]c(C)nc2C)C1=O	ZINC001085336264	923982126	/nfs/dbraw/zinc/98/21/26/923982126.db2.gz	NKXFKIRQYGDLLB-BZUAXINKSA-N	1	0	359.474	1.444	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCCOC2)nn1	ZINC001085358657	924171572	/nfs/dbraw/zinc/17/15/72/924171572.db2.gz	LWVGZDFJVKCITE-BRWVUGGUSA-N	1	0	361.490	1.911	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCC(=O)N1	ZINC001085361011	924227196	/nfs/dbraw/zinc/22/71/96/924227196.db2.gz	KJDHGGQZYVSNFG-KZNAEPCWSA-N	1	0	354.454	1.744	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC(=O)NC(=O)C1	ZINC001085362776	924258416	/nfs/dbraw/zinc/25/84/16/924258416.db2.gz	VOYCABMKGPDUNB-IAGOWNOFSA-N	1	0	368.437	1.128	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccnc(C)c2)C1=O	ZINC001085370034	924297098	/nfs/dbraw/zinc/29/70/98/924297098.db2.gz	XFVGCWZFPMCEMU-KURKYZTESA-N	1	0	356.470	1.808	20	30		FDEDRO
C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C[C@H](C)N1CC#N	ZINC000826715415	924298458	/nfs/dbraw/zinc/29/84/58/924298458.db2.gz	LXOOXYHBGOQMAG-IXDOHACOSA-N	1	0	363.506	1.115	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1nc2n(c1=O)CCCC2	ZINC001085386047	924369063	/nfs/dbraw/zinc/36/90/63/924369063.db2.gz	FVBJIMGCQNPHIQ-ZIAGYGMSSA-N	1	0	367.881	1.151	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nncn1C	ZINC001085397383	924442287	/nfs/dbraw/zinc/44/22/87/924442287.db2.gz	HTSCNPNPSUVWAX-HZPDHXFCSA-N	1	0	368.441	1.053	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCCC2=O)nc1	ZINC001085398536	924448022	/nfs/dbraw/zinc/44/80/22/924448022.db2.gz	LRVURCWGJILHNU-IAGOWNOFSA-N	1	0	354.454	1.316	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]3CN(c4ncccc4C#N)C[C@H]32)CC[N@@H+]1C	ZINC001066252989	924512847	/nfs/dbraw/zinc/51/28/47/924512847.db2.gz	DXNFOGUVPBSFGO-BZZMCLGOSA-N	1	0	353.470	1.721	20	30		FDEDRO
CCN1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)C1	ZINC001085429237	924643051	/nfs/dbraw/zinc/64/30/51/924643051.db2.gz	LFFKHYPBESLUGH-AQNXPRMDSA-N	1	0	370.497	1.796	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)NCCOc2cccc(C)c2)CC1	ZINC000735940880	924688831	/nfs/dbraw/zinc/68/88/31/924688831.db2.gz	TVAPICWMRICOCN-UHFFFAOYSA-N	1	0	358.438	1.378	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[C@H]2CC(=O)NC2=O)c1	ZINC001085441632	924735087	/nfs/dbraw/zinc/73/50/87/924735087.db2.gz	IDPRQWLDNCLFPF-GVDBMIGSSA-N	1	0	368.437	1.128	20	30		FDEDRO
CCCCCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1	ZINC001108210591	925298927	/nfs/dbraw/zinc/29/89/27/925298927.db2.gz	BGCOGJTYQKELQH-FCEWJHQRSA-N	1	0	369.506	1.197	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccc(F)c(NS(C)(=O)=O)c2)CC1	ZINC000740737364	925421048	/nfs/dbraw/zinc/42/10/48/925421048.db2.gz	LXZAJNPMMYDPIR-UHFFFAOYSA-N	1	0	367.446	1.415	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1	ZINC000740738417	925421787	/nfs/dbraw/zinc/42/17/87/925421787.db2.gz	FCCABOMPUZSCRG-UHFFFAOYSA-N	1	0	367.409	1.998	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000741318214	925705229	/nfs/dbraw/zinc/70/52/29/925705229.db2.gz	MFBKXFZSUVSSBY-DOTOQJQBSA-N	1	0	373.453	1.842	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C[N@@H+](C)CCC)CC1	ZINC001066361887	925751374	/nfs/dbraw/zinc/75/13/74/925751374.db2.gz	TUCGGZHDGRYDDK-KSZLIROESA-N	1	0	365.518	1.807	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1	ZINC000741688191	925824631	/nfs/dbraw/zinc/82/46/31/925824631.db2.gz	YULORWCTWJFRSL-UHFFFAOYSA-N	1	0	357.454	1.371	20	30		FDEDRO
C[NH+](C)CCCNC(=S)NN=Cc1cc2c(cc1OC(F)F)OCO2	ZINC000741763561	925849542	/nfs/dbraw/zinc/84/95/42/925849542.db2.gz	RWPVENYAVOBFPK-UHFFFAOYSA-N	1	0	374.413	1.766	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CCCO[C@H]3C=C)C2)C1=O	ZINC001086089528	925937265	/nfs/dbraw/zinc/93/72/65/925937265.db2.gz	DAJAVOUOQRKRGI-ILOCAZANSA-N	1	0	361.486	1.239	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3cccc(F)c3C#N)CC2)C1	ZINC000742296479	926006464	/nfs/dbraw/zinc/00/64/64/926006464.db2.gz	PKQHDGWCHRMHOY-CQSZACIVSA-N	1	0	366.462	1.098	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1	ZINC000742897027	926210389	/nfs/dbraw/zinc/21/03/89/926210389.db2.gz	FSCZZIPEMXGTQH-FQEVSTJZSA-N	1	0	370.497	1.349	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nnc(C(C)(C)C)[nH]2)C1	ZINC001086201419	926283467	/nfs/dbraw/zinc/28/34/67/926283467.db2.gz	ABPSUOXFFBSFEV-BARDWOONSA-N	1	0	361.490	1.678	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)C)CC1	ZINC000743493272	926378959	/nfs/dbraw/zinc/37/89/59/926378959.db2.gz	LRJDIBOVTDGUNZ-INIZCTEOSA-N	1	0	350.507	1.713	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)C2CCN(Cc3nccn3C)CC2)CC1	ZINC000743492104	926379283	/nfs/dbraw/zinc/37/92/83/926379283.db2.gz	PPFGCRXDOAIHTF-UHFFFAOYSA-N	1	0	357.502	1.236	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CNC(=O)c2cc(OC)cc(OC)c2)CC1	ZINC000743493547	926379621	/nfs/dbraw/zinc/37/96/21/926379621.db2.gz	YVTLDYRFOWQLRH-UHFFFAOYSA-N	1	0	373.453	1.038	20	30		FDEDRO
COC(=O)CC[N@H+](CC(=O)N(CCC#N)c1ccccc1)C1CCOCC1	ZINC000743872683	926482467	/nfs/dbraw/zinc/48/24/67/926482467.db2.gz	XZNGAZIWEKSALW-UHFFFAOYSA-N	1	0	373.453	1.977	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1	ZINC000743898957	926498581	/nfs/dbraw/zinc/49/85/81/926498581.db2.gz	LOCRLSPGSRMHIL-CQSZACIVSA-N	1	0	361.417	1.623	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1	ZINC000743947723	926523751	/nfs/dbraw/zinc/52/37/51/926523751.db2.gz	TZGXAJNDKZODDU-KRWDZBQOSA-N	1	0	356.426	1.256	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)CN(CCC#N)CCOC)cc2)CC1	ZINC000744405116	926664771	/nfs/dbraw/zinc/66/47/71/926664771.db2.gz	AYRAXOOYLDAJPM-UHFFFAOYSA-N	1	0	373.501	1.629	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2nn(CC)nc2C)C1	ZINC001086369602	926866052	/nfs/dbraw/zinc/86/60/52/926866052.db2.gz	QCINWNBDWPHULU-KONPQCLYSA-N	1	0	361.490	1.572	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2COCCN2c2ncccc2C#N)CC[N@@H+]1C	ZINC001066526766	927147397	/nfs/dbraw/zinc/14/73/97/927147397.db2.gz	MVGXWDAKMFOXQU-YESZJQIVSA-N	1	0	357.458	1.005	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)C1=O	ZINC001086431485	927218012	/nfs/dbraw/zinc/21/80/12/927218012.db2.gz	PAUJNWXBPZOODS-UGDFAFBOSA-N	1	0	361.486	1.073	20	30		FDEDRO
C=C(Cl)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2ccnn2C)CC1	ZINC001098439156	927291560	/nfs/dbraw/zinc/29/15/60/927291560.db2.gz	WGKLVVSITKOTRL-HZPDHXFCSA-N	1	0	366.893	1.561	20	30		FDEDRO
C#CCN(CC#CC)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000745800274	927421151	/nfs/dbraw/zinc/42/11/51/927421151.db2.gz	MEYSDRWBKXHGEV-UHFFFAOYSA-N	1	0	354.454	1.146	20	30		FDEDRO
C=CC[C@@H](NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccncc1	ZINC000745829941	927446922	/nfs/dbraw/zinc/44/69/22/927446922.db2.gz	JIWQLODEBDXJHC-DLBZAZTESA-N	1	0	359.474	1.585	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2csc(COC)n2)C1	ZINC001086480834	927517745	/nfs/dbraw/zinc/51/77/45/927517745.db2.gz	AWGMITKBNWVCJK-XOUADPBQSA-N	1	0	365.499	1.865	20	30		FDEDRO
CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)[NH+]1CCCC1	ZINC000746353363	927901055	/nfs/dbraw/zinc/90/10/55/927901055.db2.gz	DFZAQDZDZKTQRO-MRXNPFEDSA-N	1	0	360.462	1.362	20	30		FDEDRO
C=CCN1CCN(C)C2(CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)C1=O	ZINC001169023574	928247856	/nfs/dbraw/zinc/24/78/56/928247856.db2.gz	PBTWTOHEGUQBRJ-JKSUJKDBSA-N	1	0	350.463	1.226	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1	ZINC000766587113	928273424	/nfs/dbraw/zinc/27/34/24/928273424.db2.gz	VLRVXHYLPJDKSQ-CRAIPNDOSA-N	1	0	355.438	1.580	20	30		FDEDRO
C#Cc1cccc(NC(=O)NC(=O)C[NH2+][C@@H](CO)c2ccccc2C)c1	ZINC001169206823	928343676	/nfs/dbraw/zinc/34/36/76/928343676.db2.gz	IKTLEJZDWPGPKO-SFHVURJKSA-N	1	0	351.406	1.948	20	30		FDEDRO
CC(=O)N1CC[C@@H]([NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)C1	ZINC001169562468	928741985	/nfs/dbraw/zinc/74/19/85/928741985.db2.gz	DITSUKINFIYGMZ-GOSISDBHSA-N	1	0	355.442	1.765	20	30		FDEDRO
C#CCN1CCN(C(=O)CN2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)CC1	ZINC000766963132	929021016	/nfs/dbraw/zinc/02/10/16/929021016.db2.gz	HJQWSRXOVWMLBO-VQTJNVASSA-N	1	0	368.525	1.359	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCCOC2)[C@@H](n2ccnn2)C1	ZINC001129359919	929135484	/nfs/dbraw/zinc/13/54/84/929135484.db2.gz	PHRRNLCQQNYQQA-KURKYZTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cc(CS(C)(=O)=O)ccc2OC)CC1	ZINC000804352747	929261985	/nfs/dbraw/zinc/26/19/85/929261985.db2.gz	CBPWFZTYMBMBJM-UHFFFAOYSA-N	1	0	364.467	1.524	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCn2cncn2)C3)c1	ZINC001108936094	929529204	/nfs/dbraw/zinc/52/92/04/929529204.db2.gz	QZAXHBTYPPQGBG-SQNIBIBYSA-N	1	0	350.426	1.462	20	30		FDEDRO
COC(=O)n1ncc(C#N)c1Nc1ccc2c([C@H]3CCC[NH2+]3)nnn2c1	ZINC001169970949	929551618	/nfs/dbraw/zinc/55/16/18/929551618.db2.gz	OZXBRWSWGDSNQC-GFCCVEGCSA-N	1	0	352.358	1.580	20	30		FDEDRO
N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CCc1ccccc1	ZINC001108951947	929568238	/nfs/dbraw/zinc/56/82/38/929568238.db2.gz	LGSYKGCKGBYOLX-YRXWBPOGSA-N	1	0	373.522	1.958	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CC[NH+](C)C)C2	ZINC001109553538	929767797	/nfs/dbraw/zinc/76/77/97/929767797.db2.gz	JNYWQQMTCGEXHJ-GIVPXCGWSA-N	1	0	369.509	1.776	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(C)c1-n1cccc1)C2	ZINC001109582290	929838733	/nfs/dbraw/zinc/83/87/33/929838733.db2.gz	PLWAZYRFILTWNS-NJAFHUGGSA-N	1	0	369.469	1.749	20	30		FDEDRO
N#CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(C(N)=O)CC2)C3)cc1	ZINC001109658976	930049441	/nfs/dbraw/zinc/04/94/41/930049441.db2.gz	MYULPIIKBVQCRO-PVAVHDDUSA-N	1	0	368.437	1.076	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O	ZINC000770804103	930266222	/nfs/dbraw/zinc/26/62/22/930266222.db2.gz	AQGHCQSDAPQJIK-LSDHHAIUSA-N	1	0	363.458	1.516	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)C1CCOCC1)C2	ZINC001109860333	930618029	/nfs/dbraw/zinc/61/80/29/930618029.db2.gz	XXJOHINIGGDYBN-RANZSIQMSA-N	1	0	363.502	1.605	20	30		FDEDRO
C[C@@H]1C[N@H+](CCC(=O)N(C)CCC#N)CC[C@H]1NC(=O)OC(C)(C)C	ZINC000771447109	930680581	/nfs/dbraw/zinc/68/05/81/930680581.db2.gz	LCJZUKADOHBLEQ-HUUCEWRRSA-N	1	0	352.479	1.984	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1noc3c1C[C@H](C)CC3)C2	ZINC001109918319	930733929	/nfs/dbraw/zinc/73/39/29/930733929.db2.gz	ANDWVQDIBDKNLH-VDERGJSUSA-N	1	0	372.469	1.437	20	30		FDEDRO
CCc1nc(C#N)cc(NC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)n1	ZINC001109999309	930999865	/nfs/dbraw/zinc/99/98/65/930999865.db2.gz	YUYARNIZERGODX-WQVCFCJDSA-N	1	0	356.474	1.558	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOC[C@@H]2CCCO2)cn1	ZINC001110001302	931011660	/nfs/dbraw/zinc/01/16/60/931011660.db2.gz	VXSQDOVMWPHFSS-FYQPLNBISA-N	1	0	369.465	1.594	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)NCCCOc2cccc(C)c2)CC1	ZINC000772111377	931079597	/nfs/dbraw/zinc/07/95/97/931079597.db2.gz	ZSABYZUYLMNVOE-UHFFFAOYSA-N	1	0	372.465	1.769	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)Nc2sccc2C(N)=O)CC1	ZINC000772113597	931081190	/nfs/dbraw/zinc/08/11/90/931081190.db2.gz	OTARZOBBUTWAOF-LLVKDONJSA-N	1	0	363.439	1.062	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)NCc2cccc(OC(C)C)c2)CC1	ZINC000772115506	931082972	/nfs/dbraw/zinc/08/29/72/931082972.db2.gz	XHUCRJJRICPXBK-UHFFFAOYSA-N	1	0	372.465	1.978	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCc2nnnn2-c2c(C)cccc2C)CC1	ZINC000772115041	931083155	/nfs/dbraw/zinc/08/31/55/931083155.db2.gz	UZGUPCBTAMUAIF-UHFFFAOYSA-N	1	0	353.426	1.668	20	30		FDEDRO
CC[NH+](CC)CCOC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000772190531	931139900	/nfs/dbraw/zinc/13/99/00/931139900.db2.gz	HOFUTFJPSNXAPY-ZDUSSCGKSA-N	1	0	353.444	1.110	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)NC(C)=O)C2	ZINC001112547371	931446225	/nfs/dbraw/zinc/44/62/25/931446225.db2.gz	MAGRVOGWZJAAOG-LPHOPBHVSA-N	1	0	351.491	1.322	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)NCc1ccc(C[NH+](CC)CC)cc1)[C@@H]1CCCO1	ZINC000785558947	931453111	/nfs/dbraw/zinc/45/31/11/931453111.db2.gz	ATIUPGUSKMIFJY-MOPGFXCFSA-N	1	0	371.481	1.442	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(S(C)(=O)=O)CCCC1)C2	ZINC001112545245	931453981	/nfs/dbraw/zinc/45/39/81/931453981.db2.gz	XLNRANCTOAVZMX-RDJZCZTQSA-N	1	0	354.516	1.748	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnc3c(cnn3C)c1)C2	ZINC001112551910	931468941	/nfs/dbraw/zinc/46/89/41/931468941.db2.gz	VZSCPZFLJQGODN-PXNSSMCTSA-N	1	0	351.454	1.824	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCc2ccccc2C#N)CC1=O	ZINC000785652514	931526723	/nfs/dbraw/zinc/52/67/23/931526723.db2.gz	YDTFPGXLISZLOA-ZWKOTPCHSA-N	1	0	355.438	1.934	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn(C[C@H]3CCOC3)nn1)C2	ZINC001112554048	931536973	/nfs/dbraw/zinc/53/69/73/931536973.db2.gz	WXAKNWSGJASFBX-GJYPPUQNSA-N	1	0	359.474	1.333	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ncoc1C1CC1)C2	ZINC001112556752	931541998	/nfs/dbraw/zinc/54/19/98/931541998.db2.gz	PMUREDGBFZONSK-LIRRHRJNSA-N	1	0	371.441	1.024	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)c1cscn1)C2	ZINC001112559341	931583850	/nfs/dbraw/zinc/58/38/50/931583850.db2.gz	SFLSLPCNRBRLAX-KSSFIOAISA-N	1	0	362.499	1.667	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C(=O)N(C)C)CC1)C2	ZINC001112560977	931586107	/nfs/dbraw/zinc/58/61/07/931586107.db2.gz	ASEJKPWGXWTGTF-YOEHRIQHSA-N	1	0	353.894	1.826	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCO)C1	ZINC001112561038	931586177	/nfs/dbraw/zinc/58/61/77/931586177.db2.gz	DFVRKYYYKMWLHO-JXFKEZNVSA-N	1	0	359.470	1.861	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC(=O)NCCCOC)C2	ZINC001112561210	931586826	/nfs/dbraw/zinc/58/68/26/931586826.db2.gz	MDFNUFACGSIMCG-PXNSSMCTSA-N	1	0	365.518	1.714	20	30		FDEDRO
CC1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)CC(F)(F)C1	ZINC001112561707	931590155	/nfs/dbraw/zinc/59/01/55/931590155.db2.gz	NRFRHEQMKRQJPB-GUYCJALGSA-N	1	0	368.428	1.280	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1ccccc1C(N)=O)C2	ZINC001112563373	931599798	/nfs/dbraw/zinc/59/97/98/931599798.db2.gz	SGHILMKJZSMYLP-AVRDEDQJSA-N	1	0	367.493	1.960	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)Oc1ccccn1)C2	ZINC001112564051	931606841	/nfs/dbraw/zinc/60/68/41/931606841.db2.gz	AYXUBXCULANLHE-WFXMLNOXSA-N	1	0	371.481	1.717	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1)c1cccnc1	ZINC001112564569	931608600	/nfs/dbraw/zinc/60/86/00/931608600.db2.gz	BRZIXIOUEUFSRX-KNBMTAEXSA-N	1	0	369.469	1.043	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC=C)C2)nc1	ZINC001112565650	931614692	/nfs/dbraw/zinc/61/46/92/931614692.db2.gz	MGWSHGRZQGEEIM-UWJYYQICSA-N	1	0	366.465	1.197	20	30		FDEDRO
CCCNC(=O)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#CCOC)C1	ZINC001112565852	931615292	/nfs/dbraw/zinc/61/52/92/931615292.db2.gz	WDWAGPCXYOMPJW-PXNSSMCTSA-N	1	0	363.502	1.161	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc(C(=O)NC)n1)C2	ZINC001112571977	931653241	/nfs/dbraw/zinc/65/32/41/931653241.db2.gz	XRFJKPUNSZJVAQ-YWZLYKJASA-N	1	0	356.470	1.849	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)c1cccc(C)c1)C2	ZINC001112573681	931676773	/nfs/dbraw/zinc/67/67/73/931676773.db2.gz	QMTWVTOEFJUUQM-RXVVDRJESA-N	1	0	353.466	1.576	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc3n[nH]nc3c1)C2	ZINC001112577011	931690130	/nfs/dbraw/zinc/69/01/30/931690130.db2.gz	VKJVDVLIVYHLFX-JXFKEZNVSA-N	1	0	367.453	1.440	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@H]1NC(=O)NC1=O)C2	ZINC001112575470	931704054	/nfs/dbraw/zinc/70/40/54/931704054.db2.gz	LHZJVJUYINQOSQ-KHYOSLBOSA-N	1	0	362.474	1.159	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c(C)nn3cccnc13)C2	ZINC001112580667	931727492	/nfs/dbraw/zinc/72/74/92/931727492.db2.gz	YHIXITJPVAQDEW-JXFKEZNVSA-N	1	0	351.454	1.893	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C1CC1)N1CCOCC1)C2	ZINC001112582564	931750921	/nfs/dbraw/zinc/75/09/21/931750921.db2.gz	CVZBXZBQZUVNEM-ZJOUEHCJSA-N	1	0	361.530	1.892	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCCC)C1	ZINC001112589343	931802894	/nfs/dbraw/zinc/80/28/94/931802894.db2.gz	VLIZPFIEVQESAI-BXWFABGCSA-N	1	0	351.491	1.322	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cnns2)C1	ZINC001112589742	931807599	/nfs/dbraw/zinc/80/75/99/931807599.db2.gz	OJWCPVHWWDCKPK-KEYYUXOJSA-N	1	0	350.488	1.848	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCn1ccnc1)C2	ZINC001112590291	931835331	/nfs/dbraw/zinc/83/53/31/931835331.db2.gz	NHRKHTJFALVPIL-ICSRJNTNSA-N	1	0	358.486	1.531	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC	ZINC000786651640	931984885	/nfs/dbraw/zinc/98/48/85/931984885.db2.gz	VOZXZFJGPUICPE-CYBMUJFWSA-N	1	0	362.312	1.884	20	30		FDEDRO
C#CCN(C(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1)C1CCCC1	ZINC000787144925	932192695	/nfs/dbraw/zinc/19/26/95/932192695.db2.gz	SLWFQNSUDAUMID-UHFFFAOYSA-N	1	0	368.481	1.567	20	30		FDEDRO
NS(=O)(=O)c1ccc(N=NC2CCOC[C@@H]2C[NH+]2CCCCC2)nc1	ZINC000787151364	932198193	/nfs/dbraw/zinc/19/81/93/932198193.db2.gz	CFDWPFSRCRFYDS-ZDUSSCGKSA-N	1	0	367.475	1.019	20	30		FDEDRO
C[N@H+](CCOCC(F)(F)C(F)F)[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000787239735	932240409	/nfs/dbraw/zinc/24/04/09/932240409.db2.gz	PPDZYMHQKCCSAV-MRVPVSSYSA-N	1	0	354.266	1.998	20	30		FDEDRO
C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2ccc(F)cc2OCC#N)n1	ZINC000788052745	932532591	/nfs/dbraw/zinc/53/25/91/932532591.db2.gz	RWGKRJNAGSXEKF-UHFFFAOYSA-N	1	0	374.376	1.063	20	30		FDEDRO
C[NH+](C)CCCOc1ccc(CNS(=O)(=O)CC(C)(C)C#N)cc1	ZINC000790016517	933318483	/nfs/dbraw/zinc/31/84/83/933318483.db2.gz	LMNMNQILKYLYME-UHFFFAOYSA-N	1	0	353.488	1.986	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)c2cccc(C[NH+](C)C)c2)n1	ZINC000790104059	933368041	/nfs/dbraw/zinc/36/80/41/933368041.db2.gz	JGBKHFBITZJMBU-UHFFFAOYSA-N	1	0	354.454	1.867	20	30		FDEDRO
C#CCn1ccc(CN(CC)CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)n1	ZINC000790391683	933508623	/nfs/dbraw/zinc/50/86/23/933508623.db2.gz	WHAFFKZWCIWFKK-IBGZPJMESA-N	1	0	357.458	1.212	20	30		FDEDRO
C=CCN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccsc1	ZINC000790724835	933715396	/nfs/dbraw/zinc/71/53/96/933715396.db2.gz	KQBANHNHAGLJOI-CYBMUJFWSA-N	1	0	366.512	1.934	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC(=O)N(CC)C2)C1	ZINC001086590946	933716389	/nfs/dbraw/zinc/71/63/89/933716389.db2.gz	JDFXPOPYOJREIV-CEXWTWQISA-N	1	0	353.466	1.462	20	30		FDEDRO
C#C[C@@H](CCC)NC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000791070568	933858096	/nfs/dbraw/zinc/85/80/96/933858096.db2.gz	VPAVEPPFVIZHJC-OALUTQOASA-N	1	0	370.497	1.985	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H](C(=O)N(C)Cc1nnc2n1CCC2)C(C)C	ZINC000791626585	934091710	/nfs/dbraw/zinc/09/17/10/934091710.db2.gz	WSAOLNAWVLGFDF-CQSZACIVSA-N	1	0	370.295	1.706	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2cn(C)cc(Br)c2=O)CC1	ZINC000822573094	945072073	/nfs/dbraw/zinc/07/20/73/945072073.db2.gz	ZIBMIZUYPHNUFV-UHFFFAOYSA-N	1	0	369.263	1.920	20	30		FDEDRO
CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1ccc(F)cc1OCC#N	ZINC000794236577	938374961	/nfs/dbraw/zinc/37/49/61/938374961.db2.gz	IPKRXEQXRLYTCH-AWEZNQCLSA-N	1	0	352.410	1.942	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CC(C)(C)CO2)[C@@H](n2ccnn2)C1	ZINC001129407170	938404593	/nfs/dbraw/zinc/40/45/93/938404593.db2.gz	GVUSJMCIWSQIFD-ZACQAIPSSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H](OC)C2CCCC2)[C@@H](n2ccnn2)C1	ZINC001129411977	938407102	/nfs/dbraw/zinc/40/71/02/938407102.db2.gz	HIQIEYNGMWFTRX-SQNIBIBYSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cncnc2C2CC2)[C@@H](n2ccnn2)C1	ZINC001129412470	938408031	/nfs/dbraw/zinc/40/80/31/938408031.db2.gz	SOMIGUKEMVLJLA-SJORKVTESA-N	1	0	367.457	1.567	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2nc(C)cc2C)[C@@H](n2ccnn2)C1	ZINC001129433626	938423673	/nfs/dbraw/zinc/42/36/73/938423673.db2.gz	JIEIJPNIGMDAJD-KSZLIROESA-N	1	0	369.473	1.108	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)C2CCC=CCC2)[C@@H](n2ccnn2)C1	ZINC001129437930	938425217	/nfs/dbraw/zinc/42/52/17/938425217.db2.gz	JTDWRKAZZBKQCM-MSOLQXFVSA-N	1	0	359.474	1.569	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c(C)n[nH]c2C)[C@@H](n2ccnn2)C1	ZINC001129441494	938427161	/nfs/dbraw/zinc/42/71/61/938427161.db2.gz	VEUODTDOSHQSFP-XWIAVFTESA-N	1	0	371.489	1.414	20	30		FDEDRO
C#C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccc(Cl)cc1F	ZINC000804419246	938427601	/nfs/dbraw/zinc/42/76/01/938427601.db2.gz	IHLHGNGOXSPZIQ-MLGOLLRUSA-N	1	0	365.836	1.680	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@@H+](CCCCCOC)C[C@@H]1n1ccnn1	ZINC001129476511	938432504	/nfs/dbraw/zinc/43/25/04/938432504.db2.gz	KAGMJNUKWAYFKO-SJORKVTESA-N	1	0	365.478	1.029	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)COC2CCC(C)CC2)[C@@H](n2ccnn2)C1	ZINC001129482498	938434723	/nfs/dbraw/zinc/43/47/23/938434723.db2.gz	XQBWMIGACPNUAL-HIEASXQVSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)C2CCOCC2)C[C@@H]1n1ccnn1	ZINC001129507723	938438807	/nfs/dbraw/zinc/43/88/07/938438807.db2.gz	WVMKPDJCFCHXPB-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2sccc2C)C[C@@H]1n1ccnn1	ZINC001129529793	938445946	/nfs/dbraw/zinc/44/59/46/938445946.db2.gz	KUJJUYYNABOONN-CABCVRRESA-N	1	0	361.471	1.506	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccccc2C)C[C@@H]1n1ccnn1	ZINC001129536774	938453766	/nfs/dbraw/zinc/45/37/66/938453766.db2.gz	JPTNQGNCNQJGLK-MSOLQXFVSA-N	1	0	355.442	1.444	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]CCCc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129690247	938486166	/nfs/dbraw/zinc/48/61/66/938486166.db2.gz	GAIJFWNBFCAKIF-NXHRZFHOSA-N	1	0	352.442	1.412	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CCCCCF)[C@@H](n2ccnn2)C1	ZINC001129675642	938490406	/nfs/dbraw/zinc/49/04/06/938490406.db2.gz	VOHSPLDSCANHIC-ZACQAIPSSA-N	1	0	367.469	1.741	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H]([NH2+]C[C@@H](CC)OC)[C@@H](n2ccnn2)C1	ZINC001129733346	938496686	/nfs/dbraw/zinc/49/66/86/938496686.db2.gz	RPUIAKSESVUEJO-ZACQAIPSSA-N	1	0	365.478	1.027	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H]([NH2+]CC/C=C\CCC)[C@@H](n2ccnn2)C1	ZINC001129795734	938509257	/nfs/dbraw/zinc/50/92/57/938509257.db2.gz	NTMAZMQKQYUMGG-MNIZJQTHSA-N	1	0	361.490	1.693	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1	ZINC001129779141	938514279	/nfs/dbraw/zinc/51/42/79/938514279.db2.gz	GGTPPJFYUCMZEW-NXHRZFHOSA-N	1	0	359.470	1.551	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CCCC(C)(C)C)[C@@H](n2ccnn2)C1	ZINC001129829463	938523791	/nfs/dbraw/zinc/52/37/91/938523791.db2.gz	IKABVIPUEQXQGQ-ZACQAIPSSA-N	1	0	361.490	1.484	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2ccn(CC)n2)C[C@@H]1n1ccnn1	ZINC001129857651	938529572	/nfs/dbraw/zinc/52/95/72/938529572.db2.gz	BHUFWFYPQRTABI-SJORKVTESA-N	1	0	357.462	1.045	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)[C@H]1CCCO1	ZINC000804695994	938529648	/nfs/dbraw/zinc/52/96/48/938529648.db2.gz	AOTRZDRZJWQGLF-BPQIPLTHSA-N	1	0	371.481	1.529	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]CCc2ccccc2F)[C@@H](n2ccnn2)C1	ZINC001129833967	938533101	/nfs/dbraw/zinc/53/31/01/938533101.db2.gz	JZEDKWVTQRSIPN-MOPGFXCFSA-N	1	0	369.444	1.805	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCC2CCOCC2)C[C@@H]1n1ccnn1	ZINC001129887738	938540506	/nfs/dbraw/zinc/54/05/06/938540506.db2.gz	OBJKFALGQYJYHI-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H]([NH2+]CCc2ccnn2C)[C@@H](n2ccnn2)C1	ZINC001129876318	938546688	/nfs/dbraw/zinc/54/66/88/938546688.db2.gz	KXCJLLOEQLDARE-SJORKVTESA-N	1	0	371.489	1.198	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnc3n[nH]cc3c2)C[C@@H]1n1ccnn1	ZINC001129904339	938547724	/nfs/dbraw/zinc/54/77/24/938547724.db2.gz	DVKIHZHWOFZBIN-CVEARBPZSA-N	1	0	366.429	1.171	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H]([NH2+]CC[C@H]3CCCO3)[C@@H](n3ccnn3)C2)CCC1	ZINC001129894837	938556028	/nfs/dbraw/zinc/55/60/28/938556028.db2.gz	UXOFPBHRIUZJGF-KURKYZTESA-N	1	0	371.485	1.382	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H]([NH2+]CC[C@@H]3CCOC3)[C@@H](n3ccnn3)C2)CCC1	ZINC001129894669	938556031	/nfs/dbraw/zinc/55/60/31/938556031.db2.gz	OJFBKWKOZZREIH-KURKYZTESA-N	1	0	371.485	1.240	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(C(N)=O)cn2)C1	ZINC001086626071	938557062	/nfs/dbraw/zinc/55/70/62/938557062.db2.gz	RTRATFDQPUQZDY-PKOBYXMFSA-N	1	0	364.449	1.954	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cncc(CC)c2)C[C@@H]1n1ccnn1	ZINC001129932233	938562340	/nfs/dbraw/zinc/56/23/40/938562340.db2.gz	RVQDOUBEEBZKMR-MSOLQXFVSA-N	1	0	370.457	1.093	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@@H]1n1ccnn1	ZINC001129939566	938565435	/nfs/dbraw/zinc/56/54/35/938565435.db2.gz	KMSSGOQETHYYDN-IECFSIQFSA-N	1	0	359.474	1.401	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2cnn(C)c2)C[C@@H]1n1ccnn1	ZINC001129941185	938566444	/nfs/dbraw/zinc/56/64/44/938566444.db2.gz	NFDUMGHMLIRTMK-OIISXLGYSA-N	1	0	357.462	1.123	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc(COC)c2)C[C@@H]1n1ccnn1	ZINC001129928659	938571939	/nfs/dbraw/zinc/57/19/39/938571939.db2.gz	DQIBRKRBGZGPBC-MSOLQXFVSA-N	1	0	353.426	1.103	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)n(CC)c2C)C[C@@H]1n1ccnn1	ZINC001129928873	938572175	/nfs/dbraw/zinc/57/21/75/938572175.db2.gz	RGAADHNLUIQHRR-MSOLQXFVSA-N	1	0	354.458	1.395	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001129930299	938572739	/nfs/dbraw/zinc/57/27/39/938572739.db2.gz	CFUPJMSRQXCRGW-UHOSZYNNSA-N	1	0	367.453	1.248	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C)OCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001129930315	938572768	/nfs/dbraw/zinc/57/27/68/938572768.db2.gz	CQSJSQDQAXUSFK-UHOSZYNNSA-N	1	0	369.469	1.801	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccncc2)C(C)C)C[C@@H]1n1ccnn1	ZINC001129977789	938593123	/nfs/dbraw/zinc/59/31/23/938593123.db2.gz	FWUSQUTYRXXOIU-QYZOEREBSA-N	1	0	366.469	1.478	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H]([NH2+]CCc2ccnn2C)[C@@H](n2ccnn2)C1	ZINC001129978149	938593744	/nfs/dbraw/zinc/59/37/44/938593744.db2.gz	SYWYIDAXBVFCMH-JQHSSLGASA-N	1	0	371.489	1.198	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3n[nH]cc3c2)C[C@@H]1n1ccnn1	ZINC001129980884	938595966	/nfs/dbraw/zinc/59/59/66/938595966.db2.gz	YRXIGCTZIMONHP-SJORKVTESA-N	1	0	351.414	1.386	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2cc(F)ccc2F)C[C@@H]1n1ccnn1	ZINC001129982961	938597857	/nfs/dbraw/zinc/59/78/57/938597857.db2.gz	KWVYGUUKASBZES-SJORKVTESA-N	1	0	359.380	1.164	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H]([NH2+]CCOCC(C)C)[C@@H](n2ccnn2)C1	ZINC001129976168	938600242	/nfs/dbraw/zinc/60/02/42/938600242.db2.gz	GQOYIOIJSQURPR-KSZLIROESA-N	1	0	363.506	1.895	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CC2=CCOCC2)C[C@@H]1n1ccnn1	ZINC001129994395	938603371	/nfs/dbraw/zinc/60/33/71/938603371.db2.gz	LIPIBZXBEAMVOB-JQHSSLGASA-N	1	0	359.474	1.711	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2occc2Cl)C[C@@H]1n1ccnn1	ZINC001129994519	938603453	/nfs/dbraw/zinc/60/34/53/938603453.db2.gz	SQLNSPMWEPZCMK-KGLIPLIRSA-N	1	0	365.821	1.382	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2conc2CC)C[C@@H]1n1ccnn1	ZINC001129995917	938604781	/nfs/dbraw/zinc/60/47/81/938604781.db2.gz	QFYBKGXAHXEGLZ-XYPHTWIQSA-N	1	0	358.446	1.839	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1	ZINC000804891457	938610582	/nfs/dbraw/zinc/61/05/82/938610582.db2.gz	CBZLIYQFGWYZAG-OAHLLOKOSA-N	1	0	358.486	1.696	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(C)nn2CC)C[C@@H]1n1ccnn1	ZINC001130023855	938617110	/nfs/dbraw/zinc/61/71/10/938617110.db2.gz	BHSMZKGYZVDKTF-WBVHZDCISA-N	1	0	357.462	1.424	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3ccncc3C2)C[C@@H]1n1ccnn1	ZINC001130007264	938624526	/nfs/dbraw/zinc/62/45/26/938624526.db2.gz	GQRLTHNIURIOEB-UHOSZYNNSA-N	1	0	366.469	1.396	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3ccncc3C2)C[C@@H]1n1ccnn1	ZINC001130007220	938624650	/nfs/dbraw/zinc/62/46/50/938624650.db2.gz	FAIFIBLAONSUDC-UHOSZYNNSA-N	1	0	366.469	1.396	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2csc(C)n2)C[C@@H]1n1ccnn1	ZINC001130028188	938630417	/nfs/dbraw/zinc/63/04/17/938630417.db2.gz	JXMRRGOVRPAKLD-CVEARBPZSA-N	1	0	358.471	1.041	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C)CC(C)(C)C)C[C@@H]1n1ccnn1	ZINC001130030807	938632518	/nfs/dbraw/zinc/63/25/18/938632518.db2.gz	RXPSYBULXCGOMU-ZACQAIPSSA-N	1	0	363.506	1.895	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnoc2C2CC2)C[C@@H]1n1ccnn1	ZINC001130066793	938655274	/nfs/dbraw/zinc/65/52/74/938655274.db2.gz	KSHKNHQMTYQFEB-CVEARBPZSA-N	1	0	356.430	1.765	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnn(C(C)C)c2)C[C@@H]1n1ccnn1	ZINC001130083984	938665592	/nfs/dbraw/zinc/66/55/92/938665592.db2.gz	SRQZLEATAXONIU-SJORKVTESA-N	1	0	357.462	1.677	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2cnn(CC)c2)C[C@@H]1n1ccnn1	ZINC001130079704	938672708	/nfs/dbraw/zinc/67/27/08/938672708.db2.gz	WHEPRWYXUWCJRU-SJORKVTESA-N	1	0	357.462	1.045	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](OC)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130091165	938676432	/nfs/dbraw/zinc/67/64/32/938676432.db2.gz	DCJVWINVQCECPM-FGTMMUONSA-N	1	0	355.442	1.583	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]CC[C@H](C)F)[C@@H](n3ccnn3)C2)cn1	ZINC001130091278	938676447	/nfs/dbraw/zinc/67/64/47/938676447.db2.gz	JGWJNSZAWAKHRE-XKQJLSEDSA-N	1	0	356.405	1.058	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]CCC(=C)C)[C@@H](n3ccnn3)C2)nc1	ZINC001130094342	938679104	/nfs/dbraw/zinc/67/91/04/938679104.db2.gz	GEXATACWUYBILW-MSOLQXFVSA-N	1	0	350.426	1.276	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2OCc3ccccc32)C[C@@H]1n1ccnn1	ZINC001130106912	938686847	/nfs/dbraw/zinc/68/68/47/938686847.db2.gz	AJIFSIVDHUKYAJ-QYZOEREBSA-N	1	0	365.437	1.305	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cnc2C)C[C@@H]1n1ccnn1	ZINC001130107409	938687121	/nfs/dbraw/zinc/68/71/21/938687121.db2.gz	PAHBFZLWBCTZPS-MSOLQXFVSA-N	1	0	371.489	1.640	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2COc3ccccc3O2)C[C@@H]1n1ccnn1	ZINC001130112257	938690945	/nfs/dbraw/zinc/69/09/45/938690945.db2.gz	TVTHCOZMMZRJRI-VKJFTORMSA-N	1	0	369.425	1.036	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2csc3c2CCCC3)C[C@@H]1n1ccnn1	ZINC001130114971	938694242	/nfs/dbraw/zinc/69/42/42/938694242.db2.gz	MLBAARVKQQXPKC-SJORKVTESA-N	1	0	369.494	1.897	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCOc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130125528	938696642	/nfs/dbraw/zinc/69/66/42/938696642.db2.gz	RWSLZHSYIZISKT-MSOLQXFVSA-N	1	0	355.442	1.665	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COc2ccc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001130121374	938703633	/nfs/dbraw/zinc/70/36/33/938703633.db2.gz	NCGLLRBPDSBSFN-MSOLQXFVSA-N	1	0	367.453	1.339	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCOc2cccnc2)C[C@@H]1n1ccnn1	ZINC001130132580	938707391	/nfs/dbraw/zinc/70/73/91/938707391.db2.gz	GISYWMBYWBOYSM-SJORKVTESA-N	1	0	356.430	1.060	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CC=C(C)CC2)C[C@@H]1n1ccnn1	ZINC001130132849	938707693	/nfs/dbraw/zinc/70/76/93/938707693.db2.gz	SPTUQQWDHSBOJS-HBFSDRIKSA-N	1	0	371.485	1.406	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2cccc(F)c2)C[C@@H]1n1ccnn1	ZINC001130148019	938710803	/nfs/dbraw/zinc/71/08/03/938710803.db2.gz	BNYIEDOEMBORIS-LZQZEXGQSA-N	1	0	369.444	1.661	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cncc(C)c2)[C@@H](n2ccnn2)C1	ZINC001130151591	938715953	/nfs/dbraw/zinc/71/59/53/938715953.db2.gz	YZYOHCUCLFGYLX-JQHSSLGASA-N	1	0	370.457	1.114	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001130153344	938717162	/nfs/dbraw/zinc/71/71/62/938717162.db2.gz	KVWBNRYKCPJZRO-LZQZEXGQSA-N	1	0	369.444	1.661	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CCCCC2)n1	ZINC001130177702	938725367	/nfs/dbraw/zinc/72/53/67/938725367.db2.gz	PLMMDTZYWGBXPW-HOTGVXAUSA-N	1	0	359.474	1.487	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=Cc2ccco2)[nH]1	ZINC001130177792	938725639	/nfs/dbraw/zinc/72/56/39/938725639.db2.gz	UXGZRHCHJNAAHJ-DKLOGILVSA-N	1	0	371.441	1.766	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)COC2CCCC2)[nH]1	ZINC001130187006	938732900	/nfs/dbraw/zinc/73/29/00/938732900.db2.gz	RMKLBGJGQISWER-GJZGRUSLSA-N	1	0	363.462	1.028	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C=C(C)C)n1	ZINC001130187659	938733703	/nfs/dbraw/zinc/73/37/03/938733703.db2.gz	BPSLVBBRGKGEPI-STQMWFEESA-N	1	0	353.854	1.602	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H]2CCCO2)[nH]1	ZINC001130187706	938733932	/nfs/dbraw/zinc/73/39/32/938733932.db2.gz	FIRCLAJNZRKSQV-ILXRZTDVSA-N	1	0	363.462	1.028	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2C(C)(C)C2(C)C)[nH]1	ZINC001130198259	938740192	/nfs/dbraw/zinc/74/01/92/938740192.db2.gz	CHYMOHSIACNRPP-STQMWFEESA-N	1	0	361.490	1.751	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)COCCCC)[nH]1	ZINC001130203080	938744988	/nfs/dbraw/zinc/74/49/88/938744988.db2.gz	RWHSUBZXVGCJEN-GJZGRUSLSA-N	1	0	365.478	1.276	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)cs2)[nH]1	ZINC001130207929	938747251	/nfs/dbraw/zinc/74/72/51/938747251.db2.gz	WYPOXOYEISCGFT-STQMWFEESA-N	1	0	361.471	1.753	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC2(C)CCCC2)n1	ZINC001130210064	938747942	/nfs/dbraw/zinc/74/79/42/938747942.db2.gz	UWYQEGAROKDKKE-GJZGRUSLSA-N	1	0	359.474	1.487	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)=C2CCC2)[nH]1	ZINC001130212860	938749976	/nfs/dbraw/zinc/74/99/76/938749976.db2.gz	HUKNIUCXTWOOJM-HOTGVXAUSA-N	1	0	359.474	1.960	20	30		FDEDRO
C=CCC(CC=C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1	ZINC001130212881	938750023	/nfs/dbraw/zinc/75/00/23/938750023.db2.gz	IYGOUOYUZZKUTH-GJZGRUSLSA-N	1	0	365.453	1.621	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(CC(C)C)CC2)n1	ZINC001130216109	938752406	/nfs/dbraw/zinc/75/24/06/938752406.db2.gz	MRXGJVCIYBBJLV-GJZGRUSLSA-N	1	0	359.474	1.343	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)/C=C\C(C)(C)C)n1	ZINC001130202833	938755410	/nfs/dbraw/zinc/75/54/10/938755410.db2.gz	LGWMTXMFXCOVHE-SKJVMOOOSA-N	1	0	359.474	1.509	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC(C)=C(C)C)n1	ZINC001130229968	938763590	/nfs/dbraw/zinc/76/35/90/938763590.db2.gz	KROMZFKTOTVMCU-HOTGVXAUSA-N	1	0	359.474	1.653	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCF)[nH]1	ZINC001130232412	938764984	/nfs/dbraw/zinc/76/49/84/938764984.db2.gz	GOYFUULKDKJVJB-ILXRZTDVSA-N	1	0	367.469	1.845	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C)CC(=C)C2)[nH]1	ZINC001130235073	938766626	/nfs/dbraw/zinc/76/66/26/938766626.db2.gz	SWEDPJISLWHWAK-GJZGRUSLSA-N	1	0	357.458	1.263	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@H]2CC(C)C)n1	ZINC001130238003	938767494	/nfs/dbraw/zinc/76/74/94/938767494.db2.gz	NYZJTWHWSLIUDO-TWMKSMIVSA-N	1	0	373.501	1.589	20	30		FDEDRO
C=CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@H](C)COC)[nH]1	ZINC001130238177	938767679	/nfs/dbraw/zinc/76/76/79/938767679.db2.gz	XIMBQYCHKBTMCY-ILXRZTDVSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2C2CCC2)[nH]1	ZINC001130242182	938769590	/nfs/dbraw/zinc/76/95/90/938769590.db2.gz	KTDGWSGRXJNNMZ-NXOAAHMSSA-N	1	0	373.501	1.895	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@H]2C2CCC2)n1	ZINC001130242351	938769696	/nfs/dbraw/zinc/76/96/96/938769696.db2.gz	SUFOXGJMATZMQG-NXOAAHMSSA-N	1	0	371.485	1.343	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(C)cc2)n1	ZINC001130246360	938771799	/nfs/dbraw/zinc/77/17/99/938771799.db2.gz	HJUXLFUWSGDURR-HOTGVXAUSA-N	1	0	353.426	1.138	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(C)C)[nH]1	ZINC001130251274	938774513	/nfs/dbraw/zinc/77/45/13/938774513.db2.gz	KWUNKNNYYYNYCR-KKUMJFAQSA-N	1	0	365.478	1.130	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(CC)CC)[nH]1	ZINC001130251294	938774687	/nfs/dbraw/zinc/77/46/87/938774687.db2.gz	LSHRNXNYKPINDL-GJZGRUSLSA-N	1	0	361.490	1.733	20	30		FDEDRO
CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CSCC#N)CC1	ZINC001130274702	938787074	/nfs/dbraw/zinc/78/70/74/938787074.db2.gz	ZMVFBMBONOTXRF-PBHICJAKSA-N	1	0	352.504	1.129	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@H](C)O)CC1	ZINC001130285159	938789865	/nfs/dbraw/zinc/78/98/65/938789865.db2.gz	CABRFPSSQICEMC-VPWXQRGCSA-N	1	0	363.502	1.036	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)CSC)CC1	ZINC001130285749	938790422	/nfs/dbraw/zinc/79/04/22/938790422.db2.gz	OLACPIFPVPVMNU-LXZKKBNFSA-N	1	0	353.532	1.647	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2(C(F)F)CC2)CC1	ZINC001130288851	938793921	/nfs/dbraw/zinc/79/39/21/938793921.db2.gz	YCFVGEDSQDHSSD-HIFRSBDPSA-N	1	0	355.429	1.693	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH+](CC=C)CC2)CCC1	ZINC001130290871	938795423	/nfs/dbraw/zinc/79/54/23/938795423.db2.gz	PIFSGADTOWYORN-MJGOQNOKSA-N	1	0	357.498	1.841	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(CC=C)CC=C)CC1	ZINC001130290892	938795616	/nfs/dbraw/zinc/79/56/16/938795616.db2.gz	QHWUGGMETMGMJV-QUCCMNQESA-N	1	0	357.498	1.863	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@H](C)O)CC1	ZINC001130293052	938796700	/nfs/dbraw/zinc/79/67/00/938796700.db2.gz	KPPVPWOUZXYGET-GMBSWORKSA-N	1	0	365.518	1.445	20	30		FDEDRO
C#CCCCCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC#C)CC1	ZINC001130295452	938797758	/nfs/dbraw/zinc/79/77/58/938797758.db2.gz	BWIGIYAMDSHERA-NQIIRXRSSA-N	1	0	357.498	1.679	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(C)(C)C(C)(F)F)CC1	ZINC001130307078	938804739	/nfs/dbraw/zinc/80/47/39/938804739.db2.gz	ICECOWUUTCXDPP-ZBFHGGJFSA-N	1	0	369.456	1.776	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccncc1	ZINC000805811865	938831123	/nfs/dbraw/zinc/83/11/23/938831123.db2.gz	WCMMDJSMLXYBFK-ROUUACIJSA-N	1	0	356.470	1.902	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)c1ccncc1	ZINC000805813489	938831550	/nfs/dbraw/zinc/83/15/50/938831550.db2.gz	JTPXTEIDJVHYDH-MSOLQXFVSA-N	1	0	374.485	1.384	20	30		FDEDRO
CNC(=O)OC[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1	ZINC000805825953	938833688	/nfs/dbraw/zinc/83/36/88/938833688.db2.gz	LCJRSKKBXSOSBW-SJORKVTESA-N	1	0	361.442	1.703	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCCO2)C[C@H]1c1cn(C)cn1	ZINC001130509522	938888219	/nfs/dbraw/zinc/88/82/19/938888219.db2.gz	DVXJNDKDEPCNDP-SOLBZPMBSA-N	1	0	362.474	1.076	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)n2cccn2)C[C@H]1c1cn(C)cn1	ZINC001130509922	938888926	/nfs/dbraw/zinc/88/89/26/938888926.db2.gz	WNMHQKMKJWSRGI-XYJFISCASA-N	1	0	356.474	1.728	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CCCOCC)C[C@H]1c1cn(C)cn1	ZINC001130522427	938897597	/nfs/dbraw/zinc/89/75/97/938897597.db2.gz	HCZZNQGQHZVKQB-FUHWJXTLSA-N	1	0	364.490	1.323	20	30		FDEDRO
CCc1occc1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#CCOC)C1	ZINC001130574484	939875105	/nfs/dbraw/zinc/87/51/05/939875105.db2.gz	XPVUMPDHZZTODX-FUHWJXTLSA-N	1	0	370.453	1.423	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnnn2CC)C[C@H]1c1cn(C)cn1	ZINC001130578527	939891038	/nfs/dbraw/zinc/89/10/38/939891038.db2.gz	QSRTWHNORDGRRL-GOEBONIOSA-N	1	0	357.462	1.196	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3cn[nH]c32)C[C@H]1c1cn(C)cn1	ZINC001130590592	939897613	/nfs/dbraw/zinc/89/76/13/939897613.db2.gz	YHTMTWYPLYSMQM-SOLBZPMBSA-N	1	0	366.469	1.171	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn(C3CCC3)nn2)C[C@H]1c1cn(C)cn1	ZINC001130590477	939897778	/nfs/dbraw/zinc/89/77/78/939897778.db2.gz	ROOGVDSEUNXANP-DOTOQJQBSA-N	1	0	369.473	1.511	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccncc2)C[C@H]1c1cn(C)cn1	ZINC001130593081	939900054	/nfs/dbraw/zinc/90/00/54/939900054.db2.gz	OLYWKHFCLFRIEJ-HLNWXESRSA-N	1	0	363.465	1.526	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2coc(C(C)(C)C)n2)C[C@H]1c1cn(C)cn1	ZINC001130594582	939901844	/nfs/dbraw/zinc/90/18/44/939901844.db2.gz	PRLHTIOTTNCTAD-GOEBONIOSA-N	1	0	369.469	1.927	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2ccn(CC)n2)C[C@H]1c1cn(C)cn1	ZINC001130596487	939903388	/nfs/dbraw/zinc/90/33/88/939903388.db2.gz	DWKKEJUPNJYIGE-PKOBYXMFSA-N	1	0	370.501	1.729	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cn2ccc(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130599400	939904987	/nfs/dbraw/zinc/90/49/87/939904987.db2.gz	RGQHWVRQNFGMGB-VDZJLULYSA-N	1	0	368.485	1.169	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2cncs2)C[C@H]1c1cn(C)cn1	ZINC001130612068	939910229	/nfs/dbraw/zinc/91/02/29/939910229.db2.gz	PMFHINRQLFINQW-DOTOQJQBSA-N	1	0	359.499	1.970	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cncn2C)C1	ZINC001130603109	939914963	/nfs/dbraw/zinc/91/49/63/939914963.db2.gz	ZHXMRIDPVDZHFD-FUHWJXTLSA-N	1	0	370.501	1.840	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@@H](C)COC)C1	ZINC001130607829	939919382	/nfs/dbraw/zinc/91/93/82/939919382.db2.gz	MGABXZYTOVEESF-XYJFISCASA-N	1	0	371.485	1.640	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2coc(OCC)n2)C[C@H]1c1cn(C)cn1	ZINC001130622143	939920916	/nfs/dbraw/zinc/92/09/16/939920916.db2.gz	SNZGNHWSSVVPTJ-DZGCQCFKSA-N	1	0	357.414	1.028	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2C(C)C)C[C@H]1c1cn(C)cn1	ZINC001130622239	939921162	/nfs/dbraw/zinc/92/11/62/939921162.db2.gz	ZBPWYLXQQCZTNG-DOTOQJQBSA-N	1	0	354.458	1.488	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2cncnc2)C[C@H]1c1cn(C)cn1	ZINC001130626888	939924291	/nfs/dbraw/zinc/92/42/91/939924291.db2.gz	SAAAZOHCZMKNQH-PKOBYXMFSA-N	1	0	368.485	1.693	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ncc(F)cc2F)C[C@H]1c1cn(C)cn1	ZINC001130617364	939929008	/nfs/dbraw/zinc/92/90/08/939929008.db2.gz	ZFIBNXNXZCFLTM-XJKSGUPXSA-N	1	0	361.396	1.867	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2ccccn2)C[C@H]1c1cn(C)cn1	ZINC001130637673	939939563	/nfs/dbraw/zinc/93/95/63/939939563.db2.gz	FZVTUHDNHDMDJI-PKOBYXMFSA-N	1	0	353.470	1.908	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCF)C1	ZINC001130637763	939939866	/nfs/dbraw/zinc/93/98/66/939939866.db2.gz	KVXTYGLKJPCTQJ-KVSKMBFKSA-N	1	0	366.481	1.893	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](CCC)c2ccccn2)C[C@H]1c1cn(C)cn1	ZINC001130654272	939947879	/nfs/dbraw/zinc/94/78/79/939947879.db2.gz	CQJFQFVXTZVJCJ-FUHIMQAGSA-N	1	0	365.481	1.916	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3cccnc32)C[C@H]1c1cn(C)cn1	ZINC001130654728	939948536	/nfs/dbraw/zinc/94/85/36/939948536.db2.gz	QCSOYIMLWJVJSW-JENIJYKNSA-N	1	0	363.465	1.452	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC2(C)C)C[C@H]1c1cn(C)cn1	ZINC001130646944	939955377	/nfs/dbraw/zinc/95/53/77/939955377.db2.gz	ORBBVRXJVBLQQY-XYJFISCASA-N	1	0	360.502	1.943	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2CC(C)C)C[C@H]1c1cn(C)cn1	ZINC001130680448	939968686	/nfs/dbraw/zinc/96/86/86/939968686.db2.gz	QVRLUTDDYRARSZ-FTEYMNFISA-N	1	0	372.513	1.636	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3ccncc3C2)C[C@H]1c1cn(C)cn1	ZINC001130677684	939974247	/nfs/dbraw/zinc/97/42/47/939974247.db2.gz	DYUPWDAQPXQYIR-IMFGXOCKSA-N	1	0	363.465	1.137	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cn2ccc(C)cc2=O)C[C@H]1c1cn(C)cn1	ZINC001130685219	939974947	/nfs/dbraw/zinc/97/49/47/939974947.db2.gz	JDYMPKMXZMAJDM-FUHWJXTLSA-N	1	0	369.469	1.051	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC23CCC3)C[C@H]1c1cn(C)cn1	ZINC001130682582	939982264	/nfs/dbraw/zinc/98/22/64/939982264.db2.gz	FXKWLNANQBJERQ-XYJFISCASA-N	1	0	358.486	1.697	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130706898	939988793	/nfs/dbraw/zinc/98/87/93/939988793.db2.gz	YYAHVHQEPPKYMY-DOTOQJQBSA-N	1	0	352.442	1.242	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C(C)(C)NC(C)=O)C[C@H]1c1cn(C)cn1	ZINC001130694957	939989398	/nfs/dbraw/zinc/98/93/98/939989398.db2.gz	AMSHLTGFYKPPAT-DOTOQJQBSA-N	1	0	361.490	1.185	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ncccn2)C[C@H]1c1cn(C)cn1	ZINC001130701146	939996356	/nfs/dbraw/zinc/99/63/56/939996356.db2.gz	NJDDNJXZYLJCBI-YQQAZPJKSA-N	1	0	354.458	1.763	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2Cl)C[C@H]1c1cn(C)cn1	ZINC001130710461	939998420	/nfs/dbraw/zinc/99/84/20/939998420.db2.gz	XXUPIFFFASLURW-SWLSCSKDSA-N	1	0	362.865	1.581	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)COCCCOC)C[C@H]1c1cn(C)cn1	ZINC001130712602	939999050	/nfs/dbraw/zinc/99/90/50/939999050.db2.gz	CIJGQWAJEGREMC-FUHWJXTLSA-N	1	0	364.490	1.323	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130712635	939999123	/nfs/dbraw/zinc/99/91/23/939999123.db2.gz	DZSNFQWSNYHWAK-GOEBONIOSA-N	1	0	356.474	1.581	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1c1cn(C)cn1	ZINC001130712753	939999515	/nfs/dbraw/zinc/99/95/15/939999515.db2.gz	KGAOQWVIMAJUOX-HHXXYDBFSA-N	1	0	370.501	1.635	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2cncn2C)C[C@H]1c1cn(C)cn1	ZINC001130721840	940026096	/nfs/dbraw/zinc/02/60/96/940026096.db2.gz	RUKYRRDFTPPWPX-PKOBYXMFSA-N	1	0	370.501	1.637	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)n(C)c2C)C[C@H]1c1cn(C)cn1	ZINC001130723288	940028156	/nfs/dbraw/zinc/02/81/56/940028156.db2.gz	HMVOHJYHGXPREJ-PKOBYXMFSA-N	1	0	353.470	1.597	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2ccnc2C)C[C@H]1c1cn(C)cn1	ZINC001130726346	940031042	/nfs/dbraw/zinc/03/10/42/940031042.db2.gz	UALVJROZUBGEQD-VDZJLULYSA-N	1	0	370.501	1.864	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](F)Cc2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130733994	940034165	/nfs/dbraw/zinc/03/41/65/940034165.db2.gz	GBWVWPHLZXGBHY-NLWGTHIKSA-N	1	0	368.456	1.908	20	30		FDEDRO
Cn1cnc([C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@H]2NCC#N)c1	ZINC001130736456	940037309	/nfs/dbraw/zinc/03/73/09/940037309.db2.gz	FREGXBFZFRZJKC-FUHWJXTLSA-N	1	0	358.490	1.094	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2noc3c2COCC3)C[C@H]1c1cn(C)cn1	ZINC001130731450	940044760	/nfs/dbraw/zinc/04/47/60/940044760.db2.gz	DVJWMZABFQUOJC-XJKSGUPXSA-N	1	0	371.441	1.255	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCC=C)C[C@H]1c1cn(C)cn1	ZINC001130741436	940045199	/nfs/dbraw/zinc/04/51/99/940045199.db2.gz	BPZIAVKAQDOMOC-XYJFISCASA-N	1	0	362.474	1.098	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130731733	940045326	/nfs/dbraw/zinc/04/53/26/940045326.db2.gz	NDSGLPTVYABSOZ-PKOBYXMFSA-N	1	0	370.501	1.637	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(C)(C)F)n2)O1	ZINC001130749326	940054993	/nfs/dbraw/zinc/05/49/93/940054993.db2.gz	FKCXHUXKULEVDT-QWHCGFSZSA-N	1	0	353.442	1.945	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H]3C=CCC3)n2)O1	ZINC001130756515	940079040	/nfs/dbraw/zinc/07/90/40/940079040.db2.gz	LITHFGRUMGKFBN-OWCLPIDISA-N	1	0	357.458	1.610	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C)oc3C)n2)O1	ZINC001130756771	940080510	/nfs/dbraw/zinc/08/05/10/940080510.db2.gz	ZTMDKQXGWVHALF-DZGCQCFKSA-N	1	0	359.430	1.940	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(CC)n[nH]3)n2)O1	ZINC001130757607	940081721	/nfs/dbraw/zinc/08/17/21/940081721.db2.gz	BOCABNUZYJAXGA-GXTWGEPZSA-N	1	0	359.434	1.016	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H]3CCCO3)n2)O1	ZINC001130765042	940095050	/nfs/dbraw/zinc/09/50/50/940095050.db2.gz	FDLGUGJUDYMUPJ-SOUVJXGZSA-N	1	0	363.462	1.376	20	30		FDEDRO
C=CCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C[C@@H]3CCOC3)O2)n[nH]1	ZINC001130767643	940102217	/nfs/dbraw/zinc/10/22/17/940102217.db2.gz	QINSMXZDVGAJOZ-SOUVJXGZSA-N	1	0	363.462	1.233	20	30		FDEDRO
C=CCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCOCC)O2)n[nH]1	ZINC001130768030	940102738	/nfs/dbraw/zinc/10/27/38/940102738.db2.gz	ZSVSJVMEUDENIQ-UONOGXRCSA-N	1	0	351.451	1.233	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)OCC)n2)O1	ZINC001130767985	940103023	/nfs/dbraw/zinc/10/30/23/940103023.db2.gz	XIPLAZKOIZOQTE-HZSPNIEDSA-N	1	0	351.451	1.232	20	30		FDEDRO
CC(C)(C)C#CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCF)O2)n[nH]1	ZINC001130785558	940120856	/nfs/dbraw/zinc/12/08/56/940120856.db2.gz	UZSQKDUHTCTQJB-UONOGXRCSA-N	1	0	365.453	1.640	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3CC(F)(F)C3)n2)O1	ZINC001130776561	940125469	/nfs/dbraw/zinc/12/54/69/940125469.db2.gz	FVLKXVBJYLCRLB-NWDGAFQWSA-N	1	0	355.389	1.462	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C=Cc3ccc[nH]3)n2)O1	ZINC001130777193	940128477	/nfs/dbraw/zinc/12/84/77/940128477.db2.gz	WDHIFONWXDQQSU-VKFONMJVSA-N	1	0	368.441	1.295	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC3(F)F)n2)O1	ZINC001130778119	940130895	/nfs/dbraw/zinc/13/08/95/940130895.db2.gz	GSULUKHJQLYZJQ-QJPTWQEYSA-N	1	0	355.389	1.462	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3=CCCCCC3)n2)O1	ZINC001130778196	940131148	/nfs/dbraw/zinc/13/11/48/940131148.db2.gz	KUPNNEOPWNKSJE-JKSUJKDBSA-N	1	0	357.458	1.754	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC3(F)F)n2)O1	ZINC001130778403	940132226	/nfs/dbraw/zinc/13/22/26/940132226.db2.gz	WLIYQFLVHPJVGO-YNEHKIRRSA-N	1	0	369.416	1.852	20	30		FDEDRO
CC(C)C#CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C/C=C\Cl)O2)n[nH]1	ZINC001130783473	940142886	/nfs/dbraw/zinc/14/28/86/940142886.db2.gz	ZPTWVSJNLAUOEM-SSNWNQLTSA-N	1	0	365.865	1.643	20	30		FDEDRO
C#CCCCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1	ZINC001130796432	940151054	/nfs/dbraw/zinc/15/10/54/940151054.db2.gz	QXPQLFVZVRSVTF-LSDHHAIUSA-N	1	0	365.453	1.784	20	30		FDEDRO
C=C(C)CCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C[C@H](C)OC)O2)n[nH]1	ZINC001130787432	940156879	/nfs/dbraw/zinc/15/68/79/940156879.db2.gz	QINAYPDRHIRXKU-SOUVJXGZSA-N	1	0	365.478	1.622	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccnnc3C)n2)O1	ZINC001130790208	940163347	/nfs/dbraw/zinc/16/33/47/940163347.db2.gz	MWZJVSAVMQGELV-DZGCQCFKSA-N	1	0	371.445	1.219	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](OC)C(C)C)n2)O1	ZINC001130805388	940177429	/nfs/dbraw/zinc/17/74/29/940177429.db2.gz	ZESYCAYQENAVBG-GZBFAFLISA-N	1	0	351.451	1.088	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@]34C[C@@H]3CCCC4)n2)O1	ZINC001130807281	940182478	/nfs/dbraw/zinc/18/24/78/940182478.db2.gz	WBBXADOAVSBNQO-MFCZKXCZSA-N	1	0	371.485	1.834	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ocnc3CC)n2)O1	ZINC001130809063	940185728	/nfs/dbraw/zinc/18/57/28/940185728.db2.gz	FTSVIZYKHFQRHU-WCQYABFASA-N	1	0	360.418	1.281	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC34CC4)n2)O1	ZINC001130809446	940188344	/nfs/dbraw/zinc/18/83/44/940188344.db2.gz	YRPXXBZNZXGJRD-YNEHKIRRSA-N	1	0	365.865	1.783	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C[C@@H](C)O)O2)n[nH]1	ZINC001130799336	940191021	/nfs/dbraw/zinc/19/10/21/940191021.db2.gz	CCDNYTNNQWDECV-HZSPNIEDSA-N	1	0	365.478	1.214	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3CC4(CCC4)C3)n2)O1	ZINC001130802215	940196743	/nfs/dbraw/zinc/19/67/43/940196743.db2.gz	INFCWGILOKARRI-LSDHHAIUSA-N	1	0	357.458	1.444	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3oc(CC)cc3C)n2)O1	ZINC001130817300	940221822	/nfs/dbraw/zinc/22/18/22/940221822.db2.gz	KUHDZVFUFURPJM-LSDHHAIUSA-N	1	0	371.441	1.641	20	30		FDEDRO
CO[C@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#Cc2ccccc2)C1	ZINC001130922738	940320444	/nfs/dbraw/zinc/32/04/44/940320444.db2.gz	SDGLLVRGHOIXKL-BHIYHBOVSA-N	1	0	366.465	1.391	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(C)n(C)n2)C[C@H]1c1cncn1C	ZINC001130922688	940320546	/nfs/dbraw/zinc/32/05/46/940320546.db2.gz	PXDSADBOFQXOJH-NVXWUHKLSA-N	1	0	356.474	1.626	20	30		FDEDRO
C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000807353061	940331053	/nfs/dbraw/zinc/33/10/53/940331053.db2.gz	DKUPMLFTMLOFOF-HIFRSBDPSA-N	1	0	374.416	1.752	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cncnc2C)C[C@H]1c1cncn1C	ZINC001130921032	940331089	/nfs/dbraw/zinc/33/10/89/940331089.db2.gz	UAFGGFGNPLYTOH-IAGOWNOFSA-N	1	0	354.458	1.683	20	30		FDEDRO
C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000807353062	940331146	/nfs/dbraw/zinc/33/11/46/940331146.db2.gz	DKUPMLFTMLOFOF-UKRRQHHQSA-N	1	0	374.416	1.752	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@@H](CCCC)C(N)=O)C1	ZINC001130935671	940331614	/nfs/dbraw/zinc/33/16/14/940331614.db2.gz	GCJLZDHOSDDLDP-OWCLPIDISA-N	1	0	361.490	1.314	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1c1cncn1C	ZINC001130941250	940351858	/nfs/dbraw/zinc/35/18/58/940351858.db2.gz	VIIILHMJQXMRED-RRFJBIMHSA-N	1	0	369.473	1.345	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1c1cncn1C	ZINC001130957653	940363011	/nfs/dbraw/zinc/36/30/11/940363011.db2.gz	XEUPIJSKSQAXJL-NVXWUHKLSA-N	1	0	368.441	1.020	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ocnc2C)C1	ZINC001130971294	940379633	/nfs/dbraw/zinc/37/96/33/940379633.db2.gz	IMQIYAFAQUIMHC-HZPDHXFCSA-N	1	0	355.442	1.604	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@@H]2CCCCO2)C1	ZINC001130971411	940380208	/nfs/dbraw/zinc/38/02/08/940380208.db2.gz	NBVMIUYJLHWLSG-RCCFBDPRSA-N	1	0	358.486	1.677	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC[C@@H](C)O)C1	ZINC001130964335	940385135	/nfs/dbraw/zinc/38/51/35/940385135.db2.gz	FZMRFILMXWEAOM-KZNAEPCWSA-N	1	0	360.502	1.659	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOCC=C)C1	ZINC001130964378	940385785	/nfs/dbraw/zinc/38/57/85/940385785.db2.gz	IBTIPFJBZABBSF-QZTJIDSGSA-N	1	0	358.486	1.700	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCCCC)C1	ZINC001130988513	940410316	/nfs/dbraw/zinc/41/03/16/940410316.db2.gz	GHUMKUPCXVULJE-KZNAEPCWSA-N	1	0	360.502	1.923	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCO[C@H]2C(C)C)C[C@H]1c1cncn1C	ZINC001130991290	940413524	/nfs/dbraw/zinc/41/35/24/940413524.db2.gz	CGCCVOKTWMUDML-XFKSJGNHSA-N	1	0	372.513	1.779	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)CCC3)C[C@H]1c1cncn1C	ZINC001130994144	940416522	/nfs/dbraw/zinc/41/65/22/940416522.db2.gz	IWWHLLPXMPMOMH-HUUCEWRRSA-N	1	0	354.458	1.337	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3cn[nH]c32)C[C@H]1c1cncn1C	ZINC001130994389	940417020	/nfs/dbraw/zinc/41/70/20/940417020.db2.gz	YAFYGMIZAMTPDG-BRWVUGGUSA-N	1	0	366.469	1.171	20	30		FDEDRO
Cn1cncc1[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1[NH2+]Cc1ccccn1	ZINC001130985189	940422330	/nfs/dbraw/zinc/42/23/30/940422330.db2.gz	BAFNLVZVIIOSIX-QZTJIDSGSA-N	1	0	365.481	1.949	20	30		FDEDRO
CC[C@@H](C[NH2+][C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1c1cncn1C)OC	ZINC001130985418	940422969	/nfs/dbraw/zinc/42/29/69/940422969.db2.gz	ISSSZQYQVJHMGX-GVDBMIGSSA-N	1	0	360.502	1.779	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnc(C)cn2)C1	ZINC001131001736	940428287	/nfs/dbraw/zinc/42/82/87/940428287.db2.gz	LUQMBHJKSKUTHD-QZTJIDSGSA-N	1	0	368.485	1.959	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@@H](C)C(=O)NC)C1	ZINC001131003672	940429973	/nfs/dbraw/zinc/42/99/73/940429973.db2.gz	NVGFIOIWMQOLGC-RRFJBIMHSA-N	1	0	361.490	1.041	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnn(C)c2)C1	ZINC001131003836	940430246	/nfs/dbraw/zinc/43/02/46/940430246.db2.gz	SIQFXFKGTQXRAE-IAGOWNOFSA-N	1	0	370.501	1.840	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cn2cc(C3CC3)nn2)C[C@H]1c1cncn1C	ZINC001131010387	940441232	/nfs/dbraw/zinc/44/12/32/940441232.db2.gz	KXOSHTDAADBPFL-NVXWUHKLSA-N	1	0	369.473	1.049	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c(C)ncn2C)C[C@H]1c1cncn1C	ZINC001131010345	940441273	/nfs/dbraw/zinc/44/12/73/940441273.db2.gz	KAAKHBAGNHZZEZ-HZPDHXFCSA-N	1	0	356.474	1.626	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)CC(F)F)C[C@H]1c1cncn1C	ZINC001131030949	940450514	/nfs/dbraw/zinc/45/05/14/940450514.db2.gz	FTOFVCKFVHILOL-RBSFLKMASA-N	1	0	368.428	1.245	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc(Cl)n2C)C[C@H]1c1cncn1C	ZINC001131030930	940450603	/nfs/dbraw/zinc/45/06/03/940450603.db2.gz	FLSDRCGCYCHBCU-CHWSQXEVSA-N	1	0	362.865	1.581	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cccnc2)C[C@H]1c1cncn1C	ZINC001131020112	940452694	/nfs/dbraw/zinc/45/26/94/940452694.db2.gz	LLFNUDSGRFIOFI-QZTJIDSGSA-N	1	0	365.481	1.700	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3c2CCCC3)C[C@H]1c1cncn1C	ZINC001131020446	940453026	/nfs/dbraw/zinc/45/30/26/940453026.db2.gz	VGUMJIGJPMCIKU-NVXWUHKLSA-N	1	0	366.469	1.243	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccn3nccc23)C[C@H]1c1cncn1C	ZINC001131023240	940456735	/nfs/dbraw/zinc/45/67/35/940456735.db2.gz	ULHAIMQWZWFENG-IAGOWNOFSA-N	1	0	362.437	1.289	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccncc2CC)C[C@H]1c1cncn1C	ZINC001131023302	940456743	/nfs/dbraw/zinc/45/67/43/940456743.db2.gz	WULCWRWGUZJRIE-QZTJIDSGSA-N	1	0	351.454	1.599	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc3ncnn32)C[C@H]1c1cncn1C	ZINC001131023388	940457053	/nfs/dbraw/zinc/45/70/53/940457053.db2.gz	ZTDFZUVDCAPTCR-HUUCEWRRSA-N	1	0	365.441	1.237	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCn2nc(C)cc2C)C[C@H]1c1cncn1C	ZINC001131040020	940467944	/nfs/dbraw/zinc/46/79/44/940467944.db2.gz	HUCCHUCFZJTCCY-QZTJIDSGSA-N	1	0	368.485	1.231	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(F)F)n[nH]2)C[C@H]1c1cncn1C	ZINC001131070113	940484203	/nfs/dbraw/zinc/48/42/03/940484203.db2.gz	GEOPCYXCWWIEMX-BXUZGUMPSA-N	1	0	362.384	1.302	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC23CCC3)C[C@H]1c1cncn1C	ZINC001131081843	940487861	/nfs/dbraw/zinc/48/78/61/940487861.db2.gz	BYMYOOUENYXBGT-IXDOHACOSA-N	1	0	358.486	1.697	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC=C(C)C)C2)nn1	ZINC001131084533	940489395	/nfs/dbraw/zinc/48/93/95/940489395.db2.gz	XSHHUVPRFRDBFW-HZPDHXFCSA-N	1	0	369.473	1.362	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2nnn(C(C)C)c2C)C[C@H]1c1cncn1C	ZINC001131098779	940492862	/nfs/dbraw/zinc/49/28/62/940492862.db2.gz	KZOOJLAXGGDZBA-HZPDHXFCSA-N	1	0	369.473	1.122	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1c1cncn1C	ZINC001131089656	940495000	/nfs/dbraw/zinc/49/50/00/940495000.db2.gz	SJRKYTOPCNDMCW-SQWLQELKSA-N	1	0	357.462	1.101	20	30		FDEDRO
COc1ccc(CNC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1C#N	ZINC000747433436	940496189	/nfs/dbraw/zinc/49/61/89/940496189.db2.gz	WRGCJVFKQNDQEY-SJORKVTESA-N	1	0	358.442	1.307	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1c1cncn1C	ZINC001131093990	940496715	/nfs/dbraw/zinc/49/67/15/940496715.db2.gz	PBFIVYUNNRENPN-HUUCEWRRSA-N	1	0	359.478	1.706	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(CC)c[nH]c2=O)C[C@H]1c1cncn1C	ZINC001131100986	940500069	/nfs/dbraw/zinc/50/00/69/940500069.db2.gz	GVWPPXKSQQJTIP-IAGOWNOFSA-N	1	0	367.453	1.304	20	30		FDEDRO
C[NH+](C)CCN1c2ccccc2C(=NNS(=O)(=O)c2ccccc2)C1=O	ZINC000807942467	940500145	/nfs/dbraw/zinc/50/01/45/940500145.db2.gz	DHHQHSIRVMLPGD-UHFFFAOYSA-N	1	0	372.450	1.277	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2nonc2C)C[C@H]1c1cncn1C	ZINC001131101404	940500468	/nfs/dbraw/zinc/50/04/68/940500468.db2.gz	ZREZKJKPMPDMSH-GDBMZVCRSA-N	1	0	358.446	1.204	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](NC(C)=O)C(C)C)C[C@H]1c1cncn1C	ZINC001131115653	940503554	/nfs/dbraw/zinc/50/35/54/940503554.db2.gz	RVUGANWWYRZIRX-JFIYKMOQSA-N	1	0	361.490	1.041	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](OC)C2CCCC2)C[C@H]1c1cncn1C	ZINC001131115674	940503619	/nfs/dbraw/zinc/50/36/19/940503619.db2.gz	UEFCWBJDMKJBMQ-LMMKCTJWSA-N	1	0	358.486	1.533	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCCn2cccn2)C[C@H]1c1cncn1C	ZINC001131123777	940507138	/nfs/dbraw/zinc/50/71/38/940507138.db2.gz	UPGLGXNRDLAHJX-IAGOWNOFSA-N	1	0	356.474	1.557	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C/C=C\Cl)C1	ZINC001131132178	940512331	/nfs/dbraw/zinc/51/23/31/940512331.db2.gz	BAUUZAUNVGPBFJ-IXSDQNLNSA-N	1	0	352.866	1.648	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(CC)n(C)n2)C[C@H]1c1cncn1C	ZINC001131136455	940513497	/nfs/dbraw/zinc/51/34/97/940513497.db2.gz	ODHJAKRCCINLBT-SJLPKXTDSA-N	1	0	370.501	1.880	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCCC(=O)NC)C[C@H]1c1cncn1C	ZINC001131136552	940513563	/nfs/dbraw/zinc/51/35/63/940513563.db2.gz	SEXDUZMVQNBFLB-HZPDHXFCSA-N	1	0	361.490	1.187	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1	ZINC001086659796	940517637	/nfs/dbraw/zinc/51/76/37/940517637.db2.gz	LWWLKRSFXVIAKE-JCURWCKSSA-N	1	0	358.417	1.350	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2nccnc2N)C1	ZINC001086661953	940536033	/nfs/dbraw/zinc/53/60/33/940536033.db2.gz	RYONDLZHRYKGJO-XJKSGUPXSA-N	1	0	350.426	1.619	20	30		FDEDRO
Cc1c(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)nnn1C	ZINC001086663921	940544412	/nfs/dbraw/zinc/54/44/12/940544412.db2.gz	OLOPNVKETWOYAE-QWHCGFSZSA-N	1	0	358.471	1.745	20	30		FDEDRO
C=CCCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCCCOC)C[C@H]32)C1	ZINC001131304559	940547891	/nfs/dbraw/zinc/54/78/91/940547891.db2.gz	NPUHRSGULDLPPO-BBWFWOEESA-N	1	0	365.474	1.485	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)COC(C)C)C1	ZINC001131307577	940549398	/nfs/dbraw/zinc/54/93/98/940549398.db2.gz	XMBRAAVTIDUNOL-BBWFWOEESA-N	1	0	365.474	1.484	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)COCC=C)C1	ZINC001131307603	940549404	/nfs/dbraw/zinc/54/94/04/940549404.db2.gz	XXOITCBWXJHZDV-BBWFWOEESA-N	1	0	363.458	1.261	20	30		FDEDRO
C=C(C)CN1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCC[NH+](C)C)C1	ZINC001131313464	940553201	/nfs/dbraw/zinc/55/32/01/940553201.db2.gz	SWMSFIUGLYSRPQ-BBWFWOEESA-N	1	0	364.490	1.010	20	30		FDEDRO
CC(C)(C)c1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)[nH]1	ZINC001086667999	940565251	/nfs/dbraw/zinc/56/52/51/940565251.db2.gz	DDNMPZATQNONNC-GXTWGEPZSA-N	1	0	369.473	1.990	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCSC)CC1	ZINC001131419253	940568170	/nfs/dbraw/zinc/56/81/70/940568170.db2.gz	YRGAGXJIOZYNFH-QAPCUYQASA-N	1	0	369.531	1.027	20	30		FDEDRO
CO[C@H](C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1	ZINC001131480635	940636764	/nfs/dbraw/zinc/63/67/64/940636764.db2.gz	PMPCGWWFOZYRMX-XWIAVFTESA-N	1	0	360.458	1.521	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCC(=O)NC)CC1	ZINC001131480673	940636863	/nfs/dbraw/zinc/63/68/63/940636863.db2.gz	RCGAXZOMTZHGBO-XLIONFOSSA-N	1	0	365.518	1.855	20	30		FDEDRO
C#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NC2CC2)CC1	ZINC001131483016	940638322	/nfs/dbraw/zinc/63/83/22/940638322.db2.gz	KGGVOTFAMHBDRA-XLIONFOSSA-N	1	0	361.486	1.054	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2COC(=O)N2)CC1	ZINC001131490894	940641169	/nfs/dbraw/zinc/64/11/69/940641169.db2.gz	GBKNUNGWYOJCCJ-PMPSAXMXSA-N	1	0	351.447	1.047	20	30		FDEDRO
Cc1nccnc1C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C#CC(C)C)CC1	ZINC001131496317	940647579	/nfs/dbraw/zinc/64/75/79/940647579.db2.gz	UYDDUTHABGBFEZ-NQIIRXRSSA-N	1	0	370.497	1.930	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC1	ZINC001131498731	940648796	/nfs/dbraw/zinc/64/87/96/940648796.db2.gz	KXJBTWUWPVNCEF-MYZZLAAOSA-N	1	0	363.502	1.463	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn3c(n2)CCC3)CC1	ZINC001131499983	940650826	/nfs/dbraw/zinc/65/08/26/940650826.db2.gz	CIZQIYZZKFUNKJ-APWZRJJASA-N	1	0	356.470	1.452	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](CC)C(N)=O)CC1	ZINC001131506791	940669092	/nfs/dbraw/zinc/66/90/92/940669092.db2.gz	PDVBWHFWXABKTR-NUJGCVRESA-N	1	0	365.518	1.838	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc3n(n2)CCCC3)CC1	ZINC001131519119	940687896	/nfs/dbraw/zinc/68/78/96/940687896.db2.gz	GGRURRYFVGFHAC-QUCCMNQESA-N	1	0	370.497	1.842	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2cnn(C)c2C)CC1	ZINC001131512317	940694787	/nfs/dbraw/zinc/69/47/87/940694787.db2.gz	XXSDNOPDFHIOLM-QUCCMNQESA-N	1	0	358.486	1.280	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2coc(OCC)n2)CC1	ZINC001131526246	940710592	/nfs/dbraw/zinc/71/05/92/940710592.db2.gz	IFDROXLSIJFURI-WBVHZDCISA-N	1	0	361.442	1.696	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H]2CCCC(=O)N2)CC1	ZINC001131526518	940711392	/nfs/dbraw/zinc/71/13/92/940711392.db2.gz	XKDWTLWFVBOWSZ-QKLQHJQFSA-N	1	0	361.486	1.054	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H]2CCC(=O)N2C)CC1	ZINC001131538012	940725912	/nfs/dbraw/zinc/72/59/12/940725912.db2.gz	DHRPIAAIMYZALF-QKLQHJQFSA-N	1	0	361.486	1.006	20	30		FDEDRO
C=CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H]2CCCNC2=O)CC1	ZINC001131555505	940730572	/nfs/dbraw/zinc/73/05/72/940730572.db2.gz	IZDZEHRSQVSVPK-AOIWGVFYSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn(C)c(=O)[nH]2)CC1	ZINC001131555551	940730768	/nfs/dbraw/zinc/73/07/68/940730768.db2.gz	LCQLCUHLJXUZHY-WBVHZDCISA-N	1	0	362.474	1.691	20	30		FDEDRO
C=CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(=O)NC)CC1	ZINC001131558107	940732414	/nfs/dbraw/zinc/73/24/14/940732414.db2.gz	HPHGQPSHKDLJRQ-LESCRADOSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCC1(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(=O)NC)CC2)CCC1	ZINC001131558170	940732887	/nfs/dbraw/zinc/73/28/87/940732887.db2.gz	LAZJSKAVGGBMQG-AEFFLSMTSA-N	1	0	363.502	1.465	20	30		FDEDRO
CC#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N(C)C)CC1	ZINC001131548295	940737547	/nfs/dbraw/zinc/73/75/47/940737547.db2.gz	QOHTZXRCDAFANG-XLIONFOSSA-N	1	0	363.502	1.254	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](CC)NC(C)=O)CC1	ZINC001131570455	940746214	/nfs/dbraw/zinc/74/62/14/940746214.db2.gz	HMBCZIIUHVRGRS-KSZLIROESA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnc3cccnn32)CC1	ZINC001131575130	940751998	/nfs/dbraw/zinc/75/19/98/940751998.db2.gz	QCJOHJAIOIOFHG-APWZRJJASA-N	1	0	369.469	1.905	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2coc(COC)n2)CC1	ZINC001131587943	940756662	/nfs/dbraw/zinc/75/66/62/940756662.db2.gz	IELITHPQEYCXIK-QAPCUYQASA-N	1	0	361.442	1.444	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(=O)NCC2CC2)CC1	ZINC001131593017	940763927	/nfs/dbraw/zinc/76/39/27/940763927.db2.gz	IEADIUZAGCDEEO-MSOLQXFVSA-N	1	0	363.502	1.465	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCc3n[nH]cc3C2)CC1	ZINC001131593019	940764496	/nfs/dbraw/zinc/76/44/96/940764496.db2.gz	IKMIUGLZWKMNGA-AHRSYUTCSA-N	1	0	370.497	1.524	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)CCC(C)C)CC1	ZINC001131579888	940765805	/nfs/dbraw/zinc/76/58/05/940765805.db2.gz	CNPLZTXHNGJJIY-XLIONFOSSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2nccs2)CC1	ZINC001131582949	940768978	/nfs/dbraw/zinc/76/89/78/940768978.db2.gz	IDLYDCZQFGCHNQ-CVEARBPZSA-N	1	0	365.499	1.945	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)CCOC)CC1	ZINC001131606757	940776461	/nfs/dbraw/zinc/77/64/61/940776461.db2.gz	DRICXSDMXLOZJI-UHOSZYNNSA-N	1	0	368.518	1.847	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)C(C)(C)C)CC1	ZINC001131602595	940785707	/nfs/dbraw/zinc/78/57/07/940785707.db2.gz	YERWXLWVVSJQHN-AEFFLSMTSA-N	1	0	363.502	1.158	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)OCCOCC)CC1	ZINC001131607006	940786550	/nfs/dbraw/zinc/78/65/50/940786550.db2.gz	RYZOLOPSVJLHFE-QRQLOZEOSA-N	1	0	366.502	1.437	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(N(C)C)ccn2)CC1	ZINC001131610208	940789977	/nfs/dbraw/zinc/78/99/77/940789977.db2.gz	FMUDENHJLMCBCH-QUCCMNQESA-N	1	0	370.497	1.770	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)C(CC)CC)CC1	ZINC001131620545	940796482	/nfs/dbraw/zinc/79/64/82/940796482.db2.gz	ICMHCQFHPFWJSH-MJGOQNOKSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1ccnn1C	ZINC001131636369	940805578	/nfs/dbraw/zinc/80/55/78/940805578.db2.gz	JFLCSLNGEHQBAJ-ARFHVFGLSA-N	1	0	361.490	1.043	20	30		FDEDRO
O=C(NCC[NH2+]CC#Cc1ccccc1Cl)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC001131641226	940808491	/nfs/dbraw/zinc/80/84/91/940808491.db2.gz	KDLJTLQZHCDAMP-XYJFISCASA-N	1	0	362.857	1.449	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1=O	ZINC001131648198	940818112	/nfs/dbraw/zinc/81/81/12/940818112.db2.gz	PKDNOJOLRUMHBY-UXLLHSPISA-N	1	0	363.408	1.561	20	30		FDEDRO
N#CC[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1	ZINC000809576051	940859131	/nfs/dbraw/zinc/85/91/31/940859131.db2.gz	PODORYSBXWIJGD-CYBMUJFWSA-N	1	0	367.247	1.769	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@@H+]2CC[C@]3(C2)CCc2ccccc2O3)CC1	ZINC000810047732	940940537	/nfs/dbraw/zinc/94/05/37/940940537.db2.gz	IJZIHAJMMKARCP-NRFANRHFSA-N	1	0	353.466	1.234	20	30		FDEDRO
CCn1nc(C)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1	ZINC001086676564	940948869	/nfs/dbraw/zinc/94/88/69/940948869.db2.gz	JMGSFDZTLTUEMN-DZGCQCFKSA-N	1	0	355.446	1.495	20	30		FDEDRO
CC(C)Cn1ncnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1	ZINC001086676509	940948907	/nfs/dbraw/zinc/94/89/07/940948907.db2.gz	HEVRYLZIYXKXGX-GOEBONIOSA-N	1	0	369.473	1.822	20	30		FDEDRO
C[C@H]1CCCCN1C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1	ZINC001086676894	940949359	/nfs/dbraw/zinc/94/93/59/940949359.db2.gz	ZZLMJBKHNZGHEY-YQQAZPJKSA-N	1	0	371.485	1.775	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3coc(CC)n3)C2)C1=O	ZINC001086678265	940966932	/nfs/dbraw/zinc/96/69/32/940966932.db2.gz	JQUVVRDCMQNLOA-ZNMIVQPWSA-N	1	0	360.458	1.512	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CC(C)C)CC1	ZINC000810429916	940989703	/nfs/dbraw/zinc/98/97/03/940989703.db2.gz	UKDXPTXEBVUWPR-SFHVURJKSA-N	1	0	373.501	1.087	20	30		FDEDRO
Cn1ncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)c1N	ZINC001086679195	941014559	/nfs/dbraw/zinc/01/45/59/941014559.db2.gz	FWMAZXBSHVGXMP-XJKSGUPXSA-N	1	0	352.442	1.562	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(=O)n(C)o2)C1	ZINC001086683347	941062319	/nfs/dbraw/zinc/06/23/19/941062319.db2.gz	KUIYGQJXKJDZFS-WDEREUQCSA-N	1	0	358.236	1.375	20	30		FDEDRO
Cn1cnc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(C#N)ccc3F)C2)n1	ZINC001086688257	941079747	/nfs/dbraw/zinc/07/97/47/941079747.db2.gz	HVXPKXWSLUOMQH-DZGCQCFKSA-N	1	0	356.405	1.514	20	30		FDEDRO
Cc1nn(C)c(N2CCOCC2)c1C=[NH+]N[C@H](C)COc1ccccc1	ZINC000811667140	941149538	/nfs/dbraw/zinc/14/95/38/941149538.db2.gz	ONPNBRQTIWLXDP-OAHLLOKOSA-N	1	0	357.458	1.956	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nncs2)C1	ZINC001086699176	941170385	/nfs/dbraw/zinc/17/03/85/941170385.db2.gz	XRASBPSNVSMHGG-YJNKXOJESA-N	1	0	350.488	1.894	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cn4c(n3)CCC4)C2)C1=O	ZINC001086699882	941176216	/nfs/dbraw/zinc/17/62/16/941176216.db2.gz	LCUXBRYEHNRZGQ-ARFHVFGLSA-N	1	0	371.485	1.104	20	30		FDEDRO
CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N	ZINC000812196427	941186756	/nfs/dbraw/zinc/18/67/56/941186756.db2.gz	QARYPMRUJDBCPH-KFWWJZLASA-N	1	0	367.494	1.773	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(=O)N(Cc2ccc(C)cc2)C2CC2)CC1	ZINC000747816756	941271716	/nfs/dbraw/zinc/27/17/16/941271716.db2.gz	UYBDQWHHFNBUPF-UHFFFAOYSA-N	1	0	367.493	1.947	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(=O)N(C)CCCOc2ccccc2)CC1	ZINC000747816736	941271818	/nfs/dbraw/zinc/27/18/18/941271818.db2.gz	SZTACYUHHUDERQ-UHFFFAOYSA-N	1	0	371.481	1.375	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H]1CCCN(CC(C)(C)C)C1=O	ZINC001134053567	941529836	/nfs/dbraw/zinc/52/98/36/941529836.db2.gz	ZTQMJMWOBRKBSY-PMPSAXMXSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCN(c2ccc(C)cc2)C1=O	ZINC001134054633	941531138	/nfs/dbraw/zinc/53/11/38/941531138.db2.gz	NOQLBZNLSXEOLX-KURKYZTESA-N	1	0	357.454	1.397	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)Nc1ccccc1Cl	ZINC001134061671	941540354	/nfs/dbraw/zinc/54/03/54/941540354.db2.gz	CBPRMJJAEXPILD-ZENOOKHLSA-N	1	0	365.861	1.964	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)Nc1cc(C)cc(C)c1	ZINC001134061923	941540440	/nfs/dbraw/zinc/54/04/40/941540440.db2.gz	JXRMCNIHGYEWFL-JQHSSLGASA-N	1	0	359.470	1.927	20	30		FDEDRO
CC(C)(O)C[NH+]1CCC(=NNS(=O)(=O)CCc2ccccc2)CC1	ZINC000814222950	941591667	/nfs/dbraw/zinc/59/16/67/941591667.db2.gz	XUNSGOPGKIISLT-UHFFFAOYSA-N	1	0	353.488	1.371	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ncc(CC)o2)C1	ZINC001086720709	941619429	/nfs/dbraw/zinc/61/94/29/941619429.db2.gz	JUAXZRXJWSOZJY-JZXOWHBKSA-N	1	0	358.486	1.709	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(C)ns2)C1	ZINC001086721429	941646978	/nfs/dbraw/zinc/64/69/78/941646978.db2.gz	YTYKPDJGHBLROL-JZXOWHBKSA-N	1	0	360.527	1.924	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001086721726	941650130	/nfs/dbraw/zinc/65/01/30/941650130.db2.gz	PNDZZRLSBOFAFJ-FZDIXFNVSA-N	1	0	357.454	1.737	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCCNC3=O)C2)cc1	ZINC001086723799	941695201	/nfs/dbraw/zinc/69/52/01/941695201.db2.gz	WFYHPOFDBKZWHL-RCCFBDPRSA-N	1	0	354.454	1.459	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)N2CCc3ccccc3C2)CC1	ZINC000747965591	941696679	/nfs/dbraw/zinc/69/66/79/941696679.db2.gz	JJGCUGSMHOGWBQ-MRXNPFEDSA-N	1	0	353.466	1.421	20	30		FDEDRO
CC(N=Nc1ccc(S(N)(=O)=O)cn1)c1ccc2c(c1)CC[NH2+]CC2	ZINC000814799134	941722375	/nfs/dbraw/zinc/72/23/75/941722375.db2.gz	XUHIUXZVNVRANB-UHFFFAOYSA-N	1	0	359.455	1.253	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cn[nH]c(=O)c2)C1	ZINC001086725137	941725053	/nfs/dbraw/zinc/72/50/53/941725053.db2.gz	LSSJTYIOTXSQOP-YVEFUNNKSA-N	1	0	369.400	1.881	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NCCCCCCC[NH+](C)C)CC1	ZINC000747984318	941735195	/nfs/dbraw/zinc/73/51/95/941735195.db2.gz	RNXHVAJRACFIKN-UHFFFAOYSA-N	1	0	350.507	1.670	20	30		FDEDRO
CC(N=Nc1ccccc1S(N)(=O)=O)c1ccc2c(c1)CC[NH2+]CC2	ZINC000814918072	941742381	/nfs/dbraw/zinc/74/23/81/941742381.db2.gz	ZVBAWXGRULEVMH-UHFFFAOYSA-N	1	0	358.467	1.858	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(C)cc(Br)c1	ZINC000815082682	941777019	/nfs/dbraw/zinc/77/70/19/941777019.db2.gz	DCJDJPCQSXGPGI-UHFFFAOYSA-N	1	0	359.289	1.991	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc2nc(Cl)cnc2c1	ZINC000815083006	941777258	/nfs/dbraw/zinc/77/72/58/941777258.db2.gz	KOGQWBLECSUVLK-UHFFFAOYSA-N	1	0	352.847	1.517	20	30		FDEDRO
COC(OC)c1c(C#C[Si](C)(C)C)ccnc1N[C@H]1C[NH2+]C[C@H]1CO	ZINC001170779196	941802813	/nfs/dbraw/zinc/80/28/13/941802813.db2.gz	WOBLVOCUJTYJGH-GJZGRUSLSA-N	1	0	363.534	1.594	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)Cc1ccc(F)cc1	ZINC001135142503	941927716	/nfs/dbraw/zinc/92/77/16/941927716.db2.gz	XYUQPOLUHASCDH-SQNIBIBYSA-N	1	0	350.434	1.416	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2OCC[C@@H]2c2ccccc2)C1=O	ZINC001135135629	941932232	/nfs/dbraw/zinc/93/22/32/941932232.db2.gz	ZESBOPKAWQWDNS-FGTMMUONSA-N	1	0	357.454	1.052	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCc2ccccc2C1	ZINC001135147593	941942775	/nfs/dbraw/zinc/94/27/75/941942775.db2.gz	NMRDOZRGUMINFF-ICSRJNTNSA-N	1	0	371.481	1.258	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(-c2ncc(C)o2)c1	ZINC000815861563	941996788	/nfs/dbraw/zinc/99/67/88/941996788.db2.gz	OLAYNZRZXYDSIG-UHFFFAOYSA-N	1	0	354.410	1.660	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc2c1OCC[C@H]2OC	ZINC000815861601	941996995	/nfs/dbraw/zinc/99/69/95/941996995.db2.gz	PNNQZCTXVHYVDX-MRXNPFEDSA-N	1	0	359.426	1.166	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21	ZINC001135472158	942104598	/nfs/dbraw/zinc/10/45/98/942104598.db2.gz	ZXHFNGNGQCDXFO-RYGJVYDSSA-N	1	0	363.461	1.787	20	30		FDEDRO
C#CCSCC[NH2+]C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1	ZINC000816552403	942246933	/nfs/dbraw/zinc/24/69/33/942246933.db2.gz	LENCZYFOGJQJIZ-OAHLLOKOSA-N	1	0	369.531	1.706	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CCC([NH+](CC)CC)CC2)cc1	ZINC000108610233	942297105	/nfs/dbraw/zinc/29/71/05/942297105.db2.gz	UNVAYTKEQPJCKV-UHFFFAOYSA-N	1	0	357.454	1.970	20	30		FDEDRO
CN1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)C1=O	ZINC001086781153	942482965	/nfs/dbraw/zinc/48/29/65/942482965.db2.gz	DHGOHEHPOWJZOP-ZENOOKHLSA-N	1	0	360.483	1.473	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCN1CCNC1=O	ZINC001170853700	942518022	/nfs/dbraw/zinc/51/80/22/942518022.db2.gz	UGDUHMSUWCDRHZ-BBWFWOEESA-N	1	0	366.506	1.257	20	30		FDEDRO
Cn1c(=O)cccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001086798773	942623188	/nfs/dbraw/zinc/62/31/88/942623188.db2.gz	GLJNSPZFCGPJNU-ZWKOTPCHSA-N	1	0	364.449	1.945	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H]3CCCN(C)C3=O)C2)c1	ZINC001086798352	942634413	/nfs/dbraw/zinc/63/44/13/942634413.db2.gz	IYWJPNQHWYLDGE-CGTJXYLNSA-N	1	0	354.454	1.172	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H]3CCN(CC=C)C3=O)C2)c1	ZINC001086798350	942634633	/nfs/dbraw/zinc/63/46/33/942634633.db2.gz	IYBSABNISVYKDJ-QXAKKESOSA-N	1	0	366.465	1.338	20	30		FDEDRO
C[C@@H]1C[C@@H](C)[N@H+](CC(=O)NCCC#N)C[C@@H]1CNC(=O)OC(C)(C)C	ZINC000817292596	942670177	/nfs/dbraw/zinc/67/01/77/942670177.db2.gz	MJBVNYYOEBBLLM-KFWWJZLASA-N	1	0	352.479	1.887	20	30		FDEDRO
C[C@@H]1C[C@@H](C)[N@H+](CC(=O)NCCC#N)C[C@H]1CNC(=O)OC(C)(C)C	ZINC000817292601	942670192	/nfs/dbraw/zinc/67/01/92/942670192.db2.gz	MJBVNYYOEBBLLM-RBSFLKMASA-N	1	0	352.479	1.887	20	30		FDEDRO
C#C[C@H](NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)C1CCOCC1	ZINC000856119733	970924313	/nfs/dbraw/zinc/92/43/13/970924313.db2.gz	VXQUVVNUAPFUJB-AABGKKOBSA-N	1	0	372.513	1.779	20	30		FDEDRO
CN(C[C@@H]1CCC[N@@H+]1C)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O	ZINC000817373466	942727263	/nfs/dbraw/zinc/72/72/63/942727263.db2.gz	OBGXZXOOOHSKAD-QFBILLFUSA-N	1	0	355.442	1.309	20	30		FDEDRO
CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]Cc1ccc(OC)c(O[C@@H](C#N)CC)c1	ZINC000817919686	943077265	/nfs/dbraw/zinc/07/72/65/943077265.db2.gz	UDIVLNONVNIQAI-IIDMSEBBSA-N	1	0	361.442	1.759	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)C1CCCC1	ZINC000817981119	943115958	/nfs/dbraw/zinc/11/59/58/943115958.db2.gz	QKMUFFPHGPPOTO-ZWKOTPCHSA-N	1	0	357.429	1.483	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1cccc(NC(=O)CCn2ccnc2)c1	ZINC000818612218	943301089	/nfs/dbraw/zinc/30/10/89/943301089.db2.gz	OELLJMQTSMNUEH-UHFFFAOYSA-N	1	0	367.453	1.597	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1	ZINC000818593144	943323621	/nfs/dbraw/zinc/32/36/21/943323621.db2.gz	NTSUUZOZJKXBTK-IBGZPJMESA-N	1	0	355.482	1.539	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1cnn(-c2ccc(OCC)nn2)c1C	ZINC000818595765	943326729	/nfs/dbraw/zinc/32/67/29/943326729.db2.gz	MYSCUZMIIPSJEY-UHFFFAOYSA-N	1	0	356.430	1.054	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)CSc1nnc(-c2cccs2)n1C	ZINC000818595888	943327015	/nfs/dbraw/zinc/32/70/15/943327015.db2.gz	QLAQDNALWXFOOK-UHFFFAOYSA-N	1	0	363.512	1.707	20	30		FDEDRO
CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]CCNc2ccc(C#N)cn2)cc1	ZINC000818952138	943362314	/nfs/dbraw/zinc/36/23/14/943362314.db2.gz	FOKABSIHWWSWCF-QGZVFWFLSA-N	1	0	369.425	1.353	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1	ZINC000818998639	943377399	/nfs/dbraw/zinc/37/73/99/943377399.db2.gz	JKHRGQBPJFQIRY-INIZCTEOSA-N	1	0	356.470	1.733	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(OC)no3)C2)nn1	ZINC001086823397	943387447	/nfs/dbraw/zinc/38/74/47/943387447.db2.gz	CIHZLDASCAJIGE-QWHCGFSZSA-N	1	0	360.418	1.149	20	30		FDEDRO
CC(C)c1ccccc1OC[C@H](O)C[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000819053026	943396330	/nfs/dbraw/zinc/39/63/30/943396330.db2.gz	IBPASKBLWDPSQV-FZFLATATSA-N	1	0	373.453	1.666	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccn(C)n3)C2)nn1	ZINC001086824535	943412743	/nfs/dbraw/zinc/41/27/43/943412743.db2.gz	NDKNHHZMQWGPBI-LSDHHAIUSA-N	1	0	357.462	1.276	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]C[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C	ZINC000819083154	943413388	/nfs/dbraw/zinc/41/33/88/943413388.db2.gz	WCQBXYUREPZERV-ZIAGYGMSSA-N	1	0	353.463	1.476	20	30		FDEDRO
CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1	ZINC000819068454	943428372	/nfs/dbraw/zinc/42/83/72/943428372.db2.gz	PZQFUDHGOXSMLU-JKSUJKDBSA-N	1	0	359.386	1.623	20	30		FDEDRO
Cc1cc(N(C)C)ccc1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000819077486	943432336	/nfs/dbraw/zinc/43/23/36/943432336.db2.gz	MAUJOKVLJBPENL-UHFFFAOYSA-N	1	0	358.467	1.891	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nccnc3C)C2)nn1	ZINC001086824850	943437019	/nfs/dbraw/zinc/43/70/19/943437019.db2.gz	CHTCVRZLEDPTRA-JKSUJKDBSA-N	1	0	369.473	1.641	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnc(C)[nH]2)C1	ZINC001086825143	943438574	/nfs/dbraw/zinc/43/85/74/943438574.db2.gz	SZFSIAXYGDXKHJ-DFGXFYAUSA-N	1	0	361.490	1.859	20	30		FDEDRO
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC000856253326	971009779	/nfs/dbraw/zinc/00/97/79/971009779.db2.gz	KELGWFQHMLQZEQ-BEFAXECRSA-N	1	0	365.474	1.306	20	30		FDEDRO
CC[C@H](C(=O)N[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1O)[NH+](CC)CC	ZINC001090530847	943877792	/nfs/dbraw/zinc/87/77/92/943877792.db2.gz	YGLMREQQXRRVJS-JFIYKMOQSA-N	1	0	362.449	1.483	20	30		FDEDRO
CC[C@H](C(=O)N[C@@H]1CN(c2nc(C)ccc2C#N)C[C@H]1O)[NH+](CC)CC	ZINC001090530867	943879215	/nfs/dbraw/zinc/87/92/15/943879215.db2.gz	ZEVVANLFWRRDTP-BRWVUGGUSA-N	1	0	359.474	1.048	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cnon2)C1	ZINC001086833896	944009073	/nfs/dbraw/zinc/00/90/73/944009073.db2.gz	MBDOQVUFCPQBKN-DZGCQCFKSA-N	1	0	355.398	1.638	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnc3ccc(C)cc32)C1	ZINC001195594241	971065090	/nfs/dbraw/zinc/06/50/90/971065090.db2.gz	JWRFTPBATZPXGX-KVSKMBFKSA-N	1	0	356.470	1.861	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cn(CC)nn2)C1	ZINC001086840783	944295499	/nfs/dbraw/zinc/29/54/99/944295499.db2.gz	WWZCYFZUXUDMIX-NWDGAFQWSA-N	1	0	356.268	1.695	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C	ZINC000821331325	944424290	/nfs/dbraw/zinc/42/42/90/944424290.db2.gz	NYMJSYRDOQROTQ-UHFFFAOYSA-N	1	0	364.421	1.321	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)CCC[NH+](C)C)s1	ZINC000821720859	944643638	/nfs/dbraw/zinc/64/36/38/944643638.db2.gz	SJEFADHKODWPIQ-UHFFFAOYSA-N	1	0	359.517	1.165	20	30		FDEDRO
C#CCN(CC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)OC(C)(C)C	ZINC000821844249	944702787	/nfs/dbraw/zinc/70/27/87/944702787.db2.gz	ZOQLBQOFFNXYCX-UHFFFAOYSA-N	1	0	366.506	1.001	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@H]2CC[N@@H+]2C2CCCC2)C1	ZINC000821919242	944758854	/nfs/dbraw/zinc/75/88/54/944758854.db2.gz	AIKWGUCZBMIDHI-NUEKZKHPSA-N	1	0	362.474	1.879	20	30		FDEDRO
C#CCN(CC(=O)NCCCN1CC[NH+](CC)CC1)C(=O)OC(C)(C)C	ZINC000821917976	944758982	/nfs/dbraw/zinc/75/89/82/944758982.db2.gz	LUIWAWBOPBXDKQ-UHFFFAOYSA-N	1	0	366.506	1.001	20	30		FDEDRO
COC(=O)c1ccc(C(=N)Nc2cncc(OCC[NH+]3CCCC3)n2)cc1	ZINC001170981591	944906247	/nfs/dbraw/zinc/90/62/47/944906247.db2.gz	VSZSSOUABALXGM-UHFFFAOYSA-N	1	0	369.425	1.775	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3cc(OC)ccc3[nH]2)C1	ZINC001195690675	971137893	/nfs/dbraw/zinc/13/78/93/971137893.db2.gz	AXNCXERTQFAIME-QZTJIDSGSA-N	1	0	359.426	1.154	20	30		FDEDRO
C#C[C@@H](NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)C1CCOCC1	ZINC000823173280	945517353	/nfs/dbraw/zinc/51/73/53/945517353.db2.gz	RABOQCBJAPEXOU-QGZVFWFLSA-N	1	0	350.507	1.130	20	30		FDEDRO
C#C[C@H](NC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCOCC1	ZINC000823181818	945523089	/nfs/dbraw/zinc/52/30/89/945523089.db2.gz	OYMCCIXNSBCESI-PZJWPPBQSA-N	1	0	371.481	1.351	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1C[N@@H+](CCOCCOc2ccccc2)C[C@H]1O	ZINC001195725757	971155759	/nfs/dbraw/zinc/15/57/59/971155759.db2.gz	OMNKOOLERRVVDH-RTBURBONSA-N	1	0	362.470	1.600	20	30		FDEDRO
C[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H]1NC(=O)COCC[NH+](C)C	ZINC001090741815	946096039	/nfs/dbraw/zinc/09/60/39/946096039.db2.gz	NUNOGZXGFUNLEH-ZYHUDNBSSA-N	1	0	371.894	1.187	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)c2cc(C#N)ccc2F)CC1	ZINC000823997607	946145927	/nfs/dbraw/zinc/14/59/27/946145927.db2.gz	DXGNOHONIYCGPI-UHFFFAOYSA-N	1	0	353.401	1.774	20	30		FDEDRO
C=C(C)CS(=O)(=O)N1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1	ZINC000856543128	971221436	/nfs/dbraw/zinc/22/14/36/971221436.db2.gz	OUQHCZZRJVQHIQ-KRWDZBQOSA-N	1	0	353.488	1.892	20	30		FDEDRO
CN1C(=O)CS/C1=C\C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000824254057	946312807	/nfs/dbraw/zinc/31/28/07/946312807.db2.gz	VFYCRJHANRYSSF-GRSHGNNSSA-N	1	0	370.478	1.685	20	30		FDEDRO
C=C(C)CS(=O)(=O)N1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1	ZINC000856543129	971221830	/nfs/dbraw/zinc/22/18/30/971221830.db2.gz	OUQHCZZRJVQHIQ-QGZVFWFLSA-N	1	0	353.488	1.892	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1	ZINC000856597172	971245292	/nfs/dbraw/zinc/24/52/92/971245292.db2.gz	FMSFUJRYGVMOPE-LPHOPBHVSA-N	1	0	358.486	1.513	20	30		FDEDRO
CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1	ZINC000824617572	946599400	/nfs/dbraw/zinc/59/94/00/946599400.db2.gz	IBPPPGGKRMZORX-GOSISDBHSA-N	1	0	356.470	1.706	20	30		FDEDRO
C[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1	ZINC001090788327	946694505	/nfs/dbraw/zinc/69/45/05/946694505.db2.gz	PGDNOIWSDDXSKP-CRAIPNDOSA-N	1	0	364.453	1.816	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1	ZINC001090792333	946723688	/nfs/dbraw/zinc/72/36/88/946723688.db2.gz	FFJXJEYSPWZQJJ-NVXWUHKLSA-N	1	0	370.501	1.801	20	30		FDEDRO
C#CCCCC(=O)N(C)CC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C(C)C	ZINC001573285100	946767721	/nfs/dbraw/zinc/76/77/21/946767721.db2.gz	RRENVPSUZSQPNZ-MRXNPFEDSA-N	1	0	369.473	1.772	20	30		FDEDRO
C#CCCCC(=O)N(C)C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573285501	946781717	/nfs/dbraw/zinc/78/17/17/946781717.db2.gz	YVSCJKGGTNNEDH-ZDUSSCGKSA-N	1	0	358.421	1.746	20	30		FDEDRO
CC(C)[C@@H](CCN(C)C(=O)[C@H](C)C#N)[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001573561274	946961947	/nfs/dbraw/zinc/96/19/47/946961947.db2.gz	JIYPXTOXYWSAJK-RHSMWYFYSA-N	1	0	369.473	1.989	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)CCC[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573561675	946964754	/nfs/dbraw/zinc/96/47/54/946964754.db2.gz	LXBUOSLTDNDWIG-LBPRGKRZSA-N	1	0	359.409	1.446	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]2C1	ZINC001573293735	946965686	/nfs/dbraw/zinc/96/56/86/946965686.db2.gz	ICZUYZAPVQEWHH-ZNMIVQPWSA-N	1	0	369.473	1.991	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)C1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC001573562757	946979718	/nfs/dbraw/zinc/97/97/18/946979718.db2.gz	XMEDNHUXBNSWBF-IGEOTXOUSA-N	1	0	367.457	1.886	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)ccc1F	ZINC000825167967	946997332	/nfs/dbraw/zinc/99/73/32/946997332.db2.gz	AFNYFIIJGNUKQN-OAHLLOKOSA-N	1	0	369.462	1.408	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)Nc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C	ZINC001136998213	946999868	/nfs/dbraw/zinc/99/98/68/946999868.db2.gz	GUWFVTSHXIDNIO-AWEZNQCLSA-N	1	0	354.476	1.306	20	30		FDEDRO
C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1	ZINC001573295334	947013419	/nfs/dbraw/zinc/01/34/19/947013419.db2.gz	OXIBAMXHZVWVLE-UHFFFAOYSA-N	1	0	363.853	1.920	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1	ZINC001573295339	947015050	/nfs/dbraw/zinc/01/50/50/947015050.db2.gz	PBAWHNHXCNGANH-ZDUSSCGKSA-N	1	0	363.853	1.922	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC(C[NH2+]Cc2ccccc2-c2nn[nH]n2)CC1	ZINC001573565844	947017203	/nfs/dbraw/zinc/01/72/03/947017203.db2.gz	WQCQZXOGYDBIJL-CYBMUJFWSA-N	1	0	353.430	1.355	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573566919	947034023	/nfs/dbraw/zinc/03/40/23/947034023.db2.gz	HPLCNRQWRVANOI-YOEHRIQHSA-N	1	0	367.457	1.839	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@H](C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573566965	947036185	/nfs/dbraw/zinc/03/61/85/947036185.db2.gz	INOCDWLXRSOWSG-GDBMZVCRSA-N	1	0	367.457	1.697	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573567889	947060367	/nfs/dbraw/zinc/06/03/67/947060367.db2.gz	UMLGGJMJAQIPEW-DGCLKSJQSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1	ZINC001573570205	947087060	/nfs/dbraw/zinc/08/70/60/947087060.db2.gz	MCSVQOQNMLQKNB-AGIUHOORSA-N	1	0	373.486	1.805	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21	ZINC001573571050	947099807	/nfs/dbraw/zinc/09/98/07/947099807.db2.gz	XYVANZFQRAWAIU-DETPVDSQSA-N	1	0	369.404	1.198	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC1CCC([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1	ZINC001573571778	947104801	/nfs/dbraw/zinc/10/48/01/947104801.db2.gz	ATRQYXUZUXSPEW-QGLTVNCISA-N	1	0	371.420	1.682	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@]1(C)CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573571901	947105238	/nfs/dbraw/zinc/10/52/38/947105238.db2.gz	BIQGALBEJMESAI-PIGZYNQJSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(C)(C)C	ZINC001573572265	947111515	/nfs/dbraw/zinc/11/15/15/947111515.db2.gz	GLIWJBZLZAOAGV-SWLSCSKDSA-N	1	0	355.446	1.647	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C(C)(C)C	ZINC001573574912	947135541	/nfs/dbraw/zinc/13/55/41/947135541.db2.gz	UUJVZYSRIBHXHL-NHYWBVRUSA-N	1	0	373.436	1.786	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CC1	ZINC001573576036	947148243	/nfs/dbraw/zinc/14/82/43/947148243.db2.gz	CVGMCIRZQZHQDQ-MEBBXXQBSA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1(C)C	ZINC001573577519	947169388	/nfs/dbraw/zinc/16/93/88/947169388.db2.gz	QSKPUPLYFSOVEI-IUODEOHRSA-N	1	0	353.430	1.353	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573306236	947169461	/nfs/dbraw/zinc/16/94/61/947169461.db2.gz	IXUCJPDJFLDKOU-PWGQDJSOSA-N	1	0	355.446	1.593	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C1CC1	ZINC001573578008	947177769	/nfs/dbraw/zinc/17/77/69/947177769.db2.gz	XEIGYTKXCXKQKK-BMIGLBTASA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@@]1(C)CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573578004	947178118	/nfs/dbraw/zinc/17/81/18/947178118.db2.gz	XDTCKROFTXVHQC-AUUYWEPGSA-N	1	0	367.457	1.745	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1	ZINC001573581925	947185205	/nfs/dbraw/zinc/18/52/05/947185205.db2.gz	ANCDHFDDFKZUJF-NWDGAFQWSA-N	1	0	359.459	1.416	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573582711	947194444	/nfs/dbraw/zinc/19/44/44/947194444.db2.gz	GIFHMZZRXSQBRN-UKRRQHHQSA-N	1	0	353.430	1.355	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1	ZINC001573309917	947212690	/nfs/dbraw/zinc/21/26/90/947212690.db2.gz	PTYLLMNVQMZXMI-IBGZPJMESA-N	1	0	370.457	1.274	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1	ZINC001573584305	947219521	/nfs/dbraw/zinc/21/95/21/947219521.db2.gz	SWGSSLLSYLQPRX-UKRRQHHQSA-N	1	0	353.430	1.497	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573584510	947224407	/nfs/dbraw/zinc/22/44/07/947224407.db2.gz	XBRXIUCJENXLOF-TZMCWYRMSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573584568	947226653	/nfs/dbraw/zinc/22/66/53/947226653.db2.gz	YGYHABSWHQPXMG-DGCLKSJQSA-N	1	0	357.393	1.104	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H](C)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1	ZINC001573585332	947251682	/nfs/dbraw/zinc/25/16/82/947251682.db2.gz	ORVTWHHGGHZBOO-VXGBXAGGSA-N	1	0	354.418	1.142	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1	ZINC001573316249	947269192	/nfs/dbraw/zinc/26/91/92/947269192.db2.gz	TVHWQSAKTROQCD-UONOGXRCSA-N	1	0	355.446	1.867	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573586808	947293177	/nfs/dbraw/zinc/29/31/77/947293177.db2.gz	UDYLUSIRYHFZET-DRZSPHRISA-N	1	0	357.393	1.150	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2[NH2+]Cc2cnn(C)c2)cc1	ZINC001090864571	947332616	/nfs/dbraw/zinc/33/26/16/947332616.db2.gz	KTTVHDHUOYJANH-ZOCIIQOWSA-N	1	0	367.453	1.673	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@](C)(O)C2CC2)C[C@H]1c1ccc(OC)cc1	ZINC001090869290	947383186	/nfs/dbraw/zinc/38/31/86/947383186.db2.gz	VNPBKPYVYOVNNK-ZVDOUQERSA-N	1	0	356.466	1.764	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2n[nH]c(C)c2C)C[C@H]1c1ccc(OC)cc1	ZINC001090866526	947404504	/nfs/dbraw/zinc/40/45/04/947404504.db2.gz	GYHMKKRCHRBJEW-ZWKOTPCHSA-N	1	0	352.438	1.866	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1c1ccc(OC)cc1	ZINC001090874814	947484180	/nfs/dbraw/zinc/48/41/80/947484180.db2.gz	SJFDVAPXYALPOT-RYQLBKOJSA-N	1	0	357.454	1.291	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1c1ccc(OC)cc1	ZINC001090874941	947485645	/nfs/dbraw/zinc/48/56/45/947485645.db2.gz	XRDNSVOVXIBJMF-FUHWJXTLSA-N	1	0	368.437	1.668	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cn(C)nc2C)C[C@H]1c1ccc(OC)cc1	ZINC001090874383	947525359	/nfs/dbraw/zinc/52/53/59/947525359.db2.gz	IHROHHNFNDCSEM-VQTJNVASSA-N	1	0	366.465	1.497	20	30		FDEDRO
C=CC[N@H+](CC1CC1)C1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1	ZINC001573341120	947527588	/nfs/dbraw/zinc/52/75/88/947527588.db2.gz	HWUHROXDMWQOOU-UHFFFAOYSA-N	1	0	355.446	1.697	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(C)ncn2C)C[C@H]1c1ccc(OC)cc1	ZINC001090874568	947530169	/nfs/dbraw/zinc/53/01/69/947530169.db2.gz	LDSIXFIZAMJJLI-ZWKOTPCHSA-N	1	0	352.438	1.568	20	30		FDEDRO
C=CCOCC(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1	ZINC001573344192	947568567	/nfs/dbraw/zinc/56/85/67/947568567.db2.gz	YVEYRWLBKIFZCT-INIZCTEOSA-N	1	0	362.459	1.211	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(CCC)nn2)C[C@H]1c1ccc(OC)cc1	ZINC001090884795	947650019	/nfs/dbraw/zinc/65/00/19/947650019.db2.gz	LMLFJKJONHXKBI-ZWKOTPCHSA-N	1	0	367.453	1.528	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC([C@H](O)c3ccnn3C)CC2)CC1	ZINC000856859190	971436551	/nfs/dbraw/zinc/43/65/51/971436551.db2.gz	GFACZQLMXDSAGY-SFHVURJKSA-N	1	0	361.490	1.526	20	30		FDEDRO
CO[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C	ZINC001090904166	947879602	/nfs/dbraw/zinc/87/96/02/947879602.db2.gz	AERTZMYGEYSVIX-KFWWJZLASA-N	1	0	365.503	1.229	20	30		FDEDRO
CC[C@@H](C(=O)N[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H]1OC)[NH+](C)C	ZINC001090905326	947908042	/nfs/dbraw/zinc/90/80/42/947908042.db2.gz	SCGIZCHQLCHRKV-GRYCIOLGSA-N	1	0	371.894	1.328	20	30		FDEDRO
CO[C@@H]1CN(c2cc(C)ncc2C#N)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C	ZINC001090905481	947909235	/nfs/dbraw/zinc/90/92/35/947909235.db2.gz	YJSULDMEMBWUKG-KBAYOESNSA-N	1	0	359.474	1.168	20	30		FDEDRO
C[N@H+](CCN1C(=O)NC2(CCCC2)C1=O)C[C@H](O)c1cccc(C#N)c1	ZINC000844371248	947998203	/nfs/dbraw/zinc/99/82/03/947998203.db2.gz	XDZVGOKNYQHMLW-INIZCTEOSA-N	1	0	356.426	1.388	20	30		FDEDRO
COc1ccc(NC(=O)CCS)cc1OCCCN1CC[NH+](C)CC1	ZINC001143985776	948072074	/nfs/dbraw/zinc/07/20/74/948072074.db2.gz	UUADDOTTWZLWJO-UHFFFAOYSA-N	1	0	367.515	1.970	20	30		FDEDRO
CO[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1NC(=O)C[N@H+](C)C1CCC1	ZINC001090948356	948081812	/nfs/dbraw/zinc/08/18/12/948081812.db2.gz	PGFCTKZIVVAADO-SJLPKXTDSA-N	1	0	360.433	1.501	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)CC1	ZINC000844438452	948087985	/nfs/dbraw/zinc/08/79/85/948087985.db2.gz	CULPEDFMZXKJCG-DOTOQJQBSA-N	1	0	354.445	1.800	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-n3cccn3)ccn2)C1	ZINC001196098319	971457415	/nfs/dbraw/zinc/45/74/15/971457415.db2.gz	XHNXPKVNLGIWIF-RTBURBONSA-N	1	0	369.469	1.789	20	30		FDEDRO
N#Cc1cncc(C[N@H+]2CC[C@H]3OC[C@@H](C(=O)N4CCCC4)C[C@H]3C2)c1	ZINC001144074717	948187130	/nfs/dbraw/zinc/18/71/30/948187130.db2.gz	BBKLKTKALGFZAX-GBESFXJTSA-N	1	0	354.454	1.803	20	30		FDEDRO
CCc1nc(C#N)cc(N[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2C)n1	ZINC001090991593	948241337	/nfs/dbraw/zinc/24/13/37/948241337.db2.gz	TWBVOEDLEWBKBE-GDBMZVCRSA-N	1	0	358.490	1.901	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@H](CO)[C@H]1CCCOC1	ZINC001171143923	948264247	/nfs/dbraw/zinc/26/42/47/948264247.db2.gz	NFRFCICXTOEPEA-WMLDXEAASA-N	1	0	369.425	1.060	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1Nc1nccnc1C#N	ZINC001091014553	948443688	/nfs/dbraw/zinc/44/36/88/948443688.db2.gz	RPPRAVOHNJXDOA-GDBMZVCRSA-N	1	0	356.474	1.872	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](C(=O)OC)[C@@H]2CCC[C@H](OC)C2)CC1	ZINC000844974903	948551535	/nfs/dbraw/zinc/55/15/35/948551535.db2.gz	LXHJQNIWVHPBIO-IKGGRYGDSA-N	1	0	350.459	1.195	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncn(C(C)(C)C)n2)C1	ZINC001196160400	971512850	/nfs/dbraw/zinc/51/28/50/971512850.db2.gz	IABJJGGJTNAGNL-HUUCEWRRSA-N	1	0	351.495	1.778	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@@H]1O	ZINC001091126367	949543474	/nfs/dbraw/zinc/54/34/74/949543474.db2.gz	OYCVANPATSHBJF-CABCVRRESA-N	1	0	365.865	1.004	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCOCc2ccccc2)C[C@H]1O	ZINC001196276483	971602282	/nfs/dbraw/zinc/60/22/82/971602282.db2.gz	RBHDQEFHQXCRFY-WTGUMLROSA-N	1	0	374.481	1.346	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(CC#N)ccn1	ZINC000845822742	949986517	/nfs/dbraw/zinc/98/65/17/949986517.db2.gz	ARYVDDXLYPAZNR-CQSZACIVSA-N	1	0	361.446	1.931	20	30		FDEDRO
CC(C)C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H](C)C#N	ZINC001574151586	950084655	/nfs/dbraw/zinc/08/46/55/950084655.db2.gz	VWJKNKDWPCDBHC-DOMZBBRYSA-N	1	0	373.436	1.786	20	30		FDEDRO
C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1ccc(C#N)s1	ZINC001574983451	950219296	/nfs/dbraw/zinc/21/92/96/950219296.db2.gz	OCQQMBZCBCRELD-SECBINFHSA-N	1	0	356.415	1.036	20	30		FDEDRO
CC[C@H](C(=O)N[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@@H]1O)[NH+](CC)CC	ZINC001091180119	950261269	/nfs/dbraw/zinc/26/12/69/950261269.db2.gz	BMFYRXFDDHUMQR-ZACQAIPSSA-N	1	0	359.474	1.048	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cnn(-c2ccc(F)cc2)c1C	ZINC000845980177	950262645	/nfs/dbraw/zinc/26/26/45/950262645.db2.gz	HRRKNWBKBGVYRA-UHFFFAOYSA-N	1	0	371.416	1.330	20	30		FDEDRO
C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1cccc(C#N)c1	ZINC001574745019	950371572	/nfs/dbraw/zinc/37/15/72/950371572.db2.gz	FDFXFNCBFHKZBH-GFCCVEGCSA-N	1	0	364.413	1.317	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(CC[NH2+]C[C@H](O)CC(C)(C)C#N)CC1	ZINC000857235971	971664776	/nfs/dbraw/zinc/66/47/76/971664776.db2.gz	VSWOGLSQRTXAIV-OAHLLOKOSA-N	1	0	354.495	1.429	20	30		FDEDRO
COc1ccc(CNC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1C#N	ZINC000846158253	950577630	/nfs/dbraw/zinc/57/76/30/950577630.db2.gz	VUPODORGHGHEGV-VDZJLULYSA-N	1	0	372.469	1.995	20	30		FDEDRO
C[C@@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1ccc(C#N)cc1	ZINC001574755313	950594436	/nfs/dbraw/zinc/59/44/36/950594436.db2.gz	UKOJICKBMDEKRF-LBPRGKRZSA-N	1	0	364.413	1.317	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(C[NH3+])cc2F)n1	ZINC000846208148	950639786	/nfs/dbraw/zinc/63/97/86/950639786.db2.gz	VZVRPNUBCULHDX-UHFFFAOYSA-N	1	0	373.432	1.472	20	30		FDEDRO
CC(=O)N1CCO[C@]2(C1)COCC[N@@H+]([C@@H](C)Cc1cccc(C#N)c1)C2	ZINC001171216735	950690526	/nfs/dbraw/zinc/69/05/26/950690526.db2.gz	KFMXFUQKHFCYNX-OXJNMPFZSA-N	1	0	357.454	1.439	20	30		FDEDRO
CC(C)[NH2+]C1CCN(C(=O)C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)CC1	ZINC000846276214	950836709	/nfs/dbraw/zinc/83/67/09/950836709.db2.gz	XGXUHXBMHKUJAB-GOSISDBHSA-N	1	0	372.469	1.039	20	30		FDEDRO
C[C@H](CNC(=O)c1ccc(C#N)[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1	ZINC001575019750	951045112	/nfs/dbraw/zinc/04/51/12/951045112.db2.gz	VNTZFCQFQBXSDY-SECBINFHSA-N	1	0	356.415	1.036	20	30		FDEDRO
C[NH+](C)CCC(=O)N1CC[C@H]2CCN(c3ncc(C#N)cc3Cl)[C@H]2C1	ZINC001091226616	951099819	/nfs/dbraw/zinc/09/98/19/951099819.db2.gz	BYGSRHUYQLGCCN-HOCLYGCPSA-N	1	0	361.877	1.986	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC([NH2+]Cc2csc(COC)n2)C1	ZINC001091238601	951126011	/nfs/dbraw/zinc/12/60/11/951126011.db2.gz	AWGMITKBNWVCJK-GMEATFMZSA-N	1	0	365.499	1.865	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC([NH2+]Cc2nnc(C(C)C)n2C)C1	ZINC001091239564	951129593	/nfs/dbraw/zinc/12/95/93/951129593.db2.gz	ZCDMXRVYFRJUEI-FJBKBRRZSA-N	1	0	361.490	1.514	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2ccnc(OC)n2)C1	ZINC001091278303	951294031	/nfs/dbraw/zinc/29/40/31/951294031.db2.gz	NSFHJDBGVORNRT-KMZOKZLKSA-N	1	0	360.458	1.451	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1C#N	ZINC001091280171	951300415	/nfs/dbraw/zinc/30/04/15/951300415.db2.gz	JWIDVXQRMLNHGA-RRFJBIMHSA-N	1	0	362.453	1.867	20	30		FDEDRO
Cc1cc(C#N)nc(N[C@@H]2CCCC[C@H]2NC(=O)[C@H](C2CC2)[NH+](C)C)n1	ZINC001091281183	951304859	/nfs/dbraw/zinc/30/48/59/951304859.db2.gz	CQGGSOGDZHBNKO-ZACQAIPSSA-N	1	0	356.474	1.836	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)CC1	ZINC000846724976	951492002	/nfs/dbraw/zinc/49/20/02/951492002.db2.gz	WFHJKKWEAOHSQP-SFHVURJKSA-N	1	0	372.469	1.039	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@H]3OCCO[C@H]3C)c2)C1	ZINC001091400506	951572683	/nfs/dbraw/zinc/57/26/83/951572683.db2.gz	KKKLUAYDKPJZIH-QGTPRVQTSA-N	1	0	361.442	1.141	20	30		FDEDRO
C=CCOC(=O)N[C@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2cccc(OC)c2)C1	ZINC001144936824	951589294	/nfs/dbraw/zinc/58/92/94/951589294.db2.gz	BZFUBPOFJPULIR-RDJZCZTQSA-N	1	0	361.442	1.468	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)c2)C1	ZINC001091403804	951596769	/nfs/dbraw/zinc/59/67/69/951596769.db2.gz	ARNMNHTWRZAFSG-ROMHJBHXSA-N	1	0	367.449	1.208	20	30		FDEDRO
C#C[C@H]1CCC[N@@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000847022500	951776091	/nfs/dbraw/zinc/77/60/91/951776091.db2.gz	UPKWVXCSUONWKE-FXAWDEMLSA-N	1	0	368.456	1.880	20	30		FDEDRO
C#C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)C1	ZINC000847022257	951776157	/nfs/dbraw/zinc/77/61/57/951776157.db2.gz	SUHALVKICSLCOP-RTBURBONSA-N	1	0	369.509	1.869	20	30		FDEDRO
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1	ZINC000847039682	951789537	/nfs/dbraw/zinc/78/95/37/951789537.db2.gz	KXDWAERMSBWAFC-NZSAHSFTSA-N	1	0	356.470	1.381	20	30		FDEDRO
CN1c2ccccc2C(C)(C)/C1=C\C(=O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000847039166	951790527	/nfs/dbraw/zinc/79/05/27/951790527.db2.gz	HFNVGLMDLUCHBW-PWIMYCEHSA-N	1	0	355.482	1.618	20	30		FDEDRO
C[C@]12CN(C(=O)c3cc[n+]([O-])cc3)C[C@H]1C[N@H+](Cc1ccc(C#N)s1)C2	ZINC001091457275	951817540	/nfs/dbraw/zinc/81/75/40/951817540.db2.gz	WVESBMJGEARWMM-BEFAXECRSA-N	1	0	368.462	1.847	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cc(CC)n[nH]4)C[C@]3(C)C2)C1=O	ZINC001091507564	951902356	/nfs/dbraw/zinc/90/23/56/951902356.db2.gz	XFLBWNXCOGEPBE-LIVBEALHSA-N	1	0	371.485	1.153	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3COCCO3)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001091504089	951912258	/nfs/dbraw/zinc/91/22/58/951912258.db2.gz	WLZKEKXEUAHRRE-GGPKGHCWSA-N	1	0	355.438	1.254	20	30		FDEDRO
C[C@@H](C[NH2+]Cc1cccc(C#N)c1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001575114034	951950469	/nfs/dbraw/zinc/95/04/69/951950469.db2.gz	KYHPYHKEAAMWAX-LBPRGKRZSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2C[N@H+](Cc3cccc(C(=O)N(C)C)c3)C[C@@]2(C)C1	ZINC001091536358	951963311	/nfs/dbraw/zinc/96/33/11/951963311.db2.gz	TZDZDMHSULYKQY-FPDPHYFHSA-N	1	0	368.481	1.828	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2CN(Cc3cc(C(F)(F)F)nn3C)C[C@@]2(C)C1	ZINC001091546279	951986960	/nfs/dbraw/zinc/98/69/60/951986960.db2.gz	ZFMQKNWRTAOQJJ-HSMVNMDESA-N	1	0	369.391	1.879	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3ccccn3c1=O)C2	ZINC001110723436	971798817	/nfs/dbraw/zinc/79/88/17/971798817.db2.gz	FLKNNMWAJMDXNW-OIISXLGYSA-N	1	0	352.438	1.996	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cncc(C)c4)C[C@]3(C)C2)C1=O	ZINC001091563033	952059293	/nfs/dbraw/zinc/05/92/93/952059293.db2.gz	MWAYKMQXGIEKJI-LQWHRVPQSA-N	1	0	368.481	1.571	20	30		FDEDRO
COc1cccc(C[N@@H+]2C[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@]3(C)C2)n1	ZINC001091575943	952117048	/nfs/dbraw/zinc/11/70/48/952117048.db2.gz	GPLOZDMLKXCKPK-QRWLVFNGSA-N	1	0	365.437	1.884	20	30		FDEDRO
CCc1nc(C#N)cc(N[C@@H]2CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C2)n1	ZINC001091591220	952173732	/nfs/dbraw/zinc/17/37/32/952173732.db2.gz	CMLGABHBBIVCGX-LZWOXQAQSA-N	1	0	358.490	1.948	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C(C)(C)C1	ZINC001571086170	952201619	/nfs/dbraw/zinc/20/16/19/952201619.db2.gz	YMUFKTPHQLWBAG-XHDPSFHLSA-N	1	0	371.420	1.492	20	30		FDEDRO
C[C@]12CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]1C[N@H+](C[C@@H]1CCNC(=O)CC1)C2	ZINC001091604755	952227888	/nfs/dbraw/zinc/22/78/88/952227888.db2.gz	NPFMAZGADLWVKK-MDOVXXIYSA-N	1	0	369.469	1.197	20	30		FDEDRO
C[C@]12CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]1C[N@H+](CCCN1CCCC1=O)C2	ZINC001091605247	952232969	/nfs/dbraw/zinc/23/29/69/952232969.db2.gz	WBZGRNMHRVEUML-QRWLVFNGSA-N	1	0	369.469	1.293	20	30		FDEDRO
C[NH+]1CCC(CC(=O)NC[C@H]2CC[C@@H](Nc3nccnc3C#N)C2)CC1	ZINC001091607572	952257725	/nfs/dbraw/zinc/25/77/25/952257725.db2.gz	VFMXJJUCEOQRIP-JKSUJKDBSA-N	1	0	356.474	1.777	20	30		FDEDRO
CCn1cc(CC[N@@H+]2C[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@]3(C)C2)cn1	ZINC001091613197	952305782	/nfs/dbraw/zinc/30/57/82/952305782.db2.gz	NIJVFVACYUBDCH-XLIONFOSSA-N	1	0	366.469	1.739	20	30		FDEDRO
C#CCN1CCCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1	ZINC001147291064	952365889	/nfs/dbraw/zinc/36/58/89/952365889.db2.gz	GXFPOFLGTDGUHP-UHFFFAOYSA-N	1	0	354.498	1.366	20	30		FDEDRO
C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(N2CCOC2=O)cc1	ZINC000772981382	952421387	/nfs/dbraw/zinc/42/13/87/952421387.db2.gz	CXNLDNVXXYHKFE-BZSIDJSBSA-N	1	0	370.409	1.820	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)N(C)C(C)C)C2	ZINC001147582889	952442949	/nfs/dbraw/zinc/44/29/49/952442949.db2.gz	HSRITKNABKWMLZ-SJORKVTESA-N	1	0	363.502	1.369	20	30		FDEDRO
Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)c1	ZINC000772984731	952499998	/nfs/dbraw/zinc/49/99/98/952499998.db2.gz	OWYPXXUOBOUQKV-IWHJNQCMSA-N	1	0	356.426	1.828	20	30		FDEDRO
C[C@H](C(=O)N1CCCCCC1)[N@@H+]1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1	ZINC001091655163	952515733	/nfs/dbraw/zinc/51/57/33/952515733.db2.gz	FQYMALMAPXUZSX-JUXOCIIHSA-N	1	0	371.525	1.971	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@@]3(C)C2)[nH]1	ZINC001091661289	952524628	/nfs/dbraw/zinc/52/46/28/952524628.db2.gz	DZKGRPSBEFVDKB-ACJLOTCBSA-N	1	0	370.482	1.569	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)C[C@]2(C)C1	ZINC001091668914	952560782	/nfs/dbraw/zinc/56/07/82/952560782.db2.gz	VKFQEKWQFRYIJD-YRNRMSPPSA-N	1	0	371.485	1.509	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CN(c4ccccn4)C[C@H]3C)C[C@]2(C)C1	ZINC001091679074	952611087	/nfs/dbraw/zinc/61/10/87/952611087.db2.gz	ZXQPQMQMHYXVHU-YXTQBTIXSA-N	1	0	366.509	1.958	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)C[C@]2(C)C1	ZINC001091695460	952652003	/nfs/dbraw/zinc/65/20/03/952652003.db2.gz	NCEYOFZJJJWABJ-OPYAIIAOSA-N	1	0	357.498	1.439	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@@]2(C)C1	ZINC001091702317	952670000	/nfs/dbraw/zinc/67/00/00/952670000.db2.gz	WBRFVIXNYLLWLY-LBTNJELSSA-N	1	0	353.894	1.776	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1	ZINC001148315613	952707110	/nfs/dbraw/zinc/70/71/10/952707110.db2.gz	QPEFQTJUHLRTOH-KURKYZTESA-N	1	0	373.497	1.289	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3cc(=O)[nH]c4ncn(C)c43)C[C@]2(C)C1	ZINC001091730257	952749109	/nfs/dbraw/zinc/74/91/09/952749109.db2.gz	VPCGRPFHMCTGFD-YJYMSZOUSA-N	1	0	355.442	1.644	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)CCCCCCNc2ccnc(C#N)n2)CC[N@@H+]1C	ZINC001091750801	952791926	/nfs/dbraw/zinc/79/19/26/952791926.db2.gz	OLXQKLHQTGBZFB-HZPDHXFCSA-N	1	0	358.490	1.541	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc4c(c3)NC(=O)CO4)C[C@]2(C)C1	ZINC001091756456	952824034	/nfs/dbraw/zinc/82/40/34/952824034.db2.gz	LVWVPUNOBUVNBN-QRWLVFNGSA-N	1	0	353.422	1.435	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H]3CCN(CC)C3=O)C2)cn1	ZINC001086857594	952876303	/nfs/dbraw/zinc/87/63/03/952876303.db2.gz	LBAXUAYLAIXZGL-QGTPRVQTSA-N	1	0	354.454	1.172	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccccc3OC)C2)C1=O	ZINC001086860207	952881521	/nfs/dbraw/zinc/88/15/21/952881521.db2.gz	OYLRLIGAKICOFQ-JZXOWHBKSA-N	1	0	371.481	1.970	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1	ZINC001196716012	971878750	/nfs/dbraw/zinc/87/87/50/971878750.db2.gz	BEUQLFUZLOULJS-FGTMMUONSA-N	1	0	363.502	1.295	20	30		FDEDRO
CCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC001086959958	952956276	/nfs/dbraw/zinc/95/62/76/952956276.db2.gz	ZXWLLFWXTDBJHJ-FUHWJXTLSA-N	1	0	355.417	1.925	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccc3n[nH]nc32)C[C@H]1c1cnn(C)c1	ZINC001086979965	952961606	/nfs/dbraw/zinc/96/16/06/952961606.db2.gz	CDTOGAJIYMUEGY-GOEBONIOSA-N	1	0	351.414	1.075	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3cccnc3n2)C[C@H]1c1cnn(C)c1	ZINC001086979693	952993567	/nfs/dbraw/zinc/99/35/67/952993567.db2.gz	NCWSWGGDZGOGOT-FUHWJXTLSA-N	1	0	362.437	1.747	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc3n2[C@@H](C)CCC3)C[C@H]1c1cnn(C)c1	ZINC001086979748	952993572	/nfs/dbraw/zinc/99/35/72/952993572.db2.gz	PTBOQXMAQGTTFY-BHYGNILZSA-N	1	0	366.469	1.345	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)C=C(C)C)C[C@H]2c2cnn(C)c2)C1=O	ZINC001086965015	952994024	/nfs/dbraw/zinc/99/40/24/952994024.db2.gz	LAGUNZWRSPKARU-RCCFBDPRSA-N	1	0	371.485	1.057	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)C[C@H](C)CC3)C[C@H]1c1cnn(C)c1	ZINC001086983705	952997539	/nfs/dbraw/zinc/99/75/39/952997539.db2.gz	CLAAXYNAMVSSOM-HYVNUMGLSA-N	1	0	366.469	1.030	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc3c(cn2)CCCC3)C[C@H]1c1cnn(C)c1	ZINC001086986939	953007940	/nfs/dbraw/zinc/00/79/40/953007940.db2.gz	QDWHSESRTGVDDA-AZUAARDMSA-N	1	0	363.465	1.525	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccc3cn[nH]c32)C[C@H]1c1cnn(C)c1	ZINC001086990370	953017379	/nfs/dbraw/zinc/01/73/79/953017379.db2.gz	YYAUDHRUFCDDHX-DLBZAZTESA-N	1	0	350.426	1.680	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]C[C@@H](C)O)C1	ZINC001086981150	953032076	/nfs/dbraw/zinc/03/20/76/953032076.db2.gz	RLGKJWXZQGDQBD-BYCMXARLSA-N	1	0	354.882	1.464	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3cc(C)cn3c2)C[C@H]1c1cnn(C)c1	ZINC001086981800	953033878	/nfs/dbraw/zinc/03/38/78/953033878.db2.gz	DJCVEKYEKLZCJJ-VQTJNVASSA-N	1	0	361.449	1.812	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@H]1c1cnn(C)c1	ZINC001086997430	953040048	/nfs/dbraw/zinc/04/00/48/953040048.db2.gz	GLSCZQHQKHOECX-WCXIOVBPSA-N	1	0	354.458	1.027	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2noc3c2CCCC3)C[C@H]1c1cnn(C)c1	ZINC001086998991	953044991	/nfs/dbraw/zinc/04/49/91/953044991.db2.gz	NONWVPMEZWRNBR-JKSUJKDBSA-N	1	0	353.426	1.118	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccnc(NC(C)=O)c2)C[C@H]1c1cnn(C)c1	ZINC001087002913	953058403	/nfs/dbraw/zinc/05/84/03/953058403.db2.gz	WRIIMDTVKFBFGY-DLBZAZTESA-N	1	0	368.441	1.157	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnn(C(F)F)c2)C[C@H]1c1cnn(C)c1	ZINC001087003879	953060802	/nfs/dbraw/zinc/06/08/02/953060802.db2.gz	UNWAWAOTOBZCFF-UONOGXRCSA-N	1	0	350.373	1.396	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cccc(COC)c2)C[C@H]1c1cnn(C)c1	ZINC001087005607	953065308	/nfs/dbraw/zinc/06/53/08/953065308.db2.gz	LKOZUFCJFNSVBI-VQTJNVASSA-N	1	0	366.465	1.326	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2cccnc2)C[C@H]1c1cnn(C)c1	ZINC001086995645	953068247	/nfs/dbraw/zinc/06/82/47/953068247.db2.gz	OIZRRNXKHFJTQB-ZYSHUDEJSA-N	1	0	369.469	1.743	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087017461	953074436	/nfs/dbraw/zinc/07/44/36/953074436.db2.gz	DTFFKOOPWTUFIF-WOJBJXKFSA-N	1	0	371.481	1.938	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ncoc2-c2ccon2)C[C@H]1c1cnn(C)c1	ZINC001087006200	953089599	/nfs/dbraw/zinc/08/95/99/953089599.db2.gz	OORRHJSZMFRPBH-DZGCQCFKSA-N	1	0	368.397	1.447	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(NC(C)=O)cc2)C[C@H]1c1cnn(C)c1	ZINC001087006969	953091741	/nfs/dbraw/zinc/09/17/41/953091741.db2.gz	DSTFVAOYXVACRJ-RBUKOAKNSA-N	1	0	365.437	1.210	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc3c[nH]nc3c2)C[C@H]1c1cnn(C)c1	ZINC001087007589	953093457	/nfs/dbraw/zinc/09/34/57/953093457.db2.gz	LLPIYGLFRSASJN-PKOBYXMFSA-N	1	0	362.437	1.056	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCc2c(C)n[nH]c2C)C[C@H]1c1cnn(C)c1	ZINC001087009071	953096914	/nfs/dbraw/zinc/09/69/14/953096914.db2.gz	MUBHXSMDJUCUKF-ZWKOTPCHSA-N	1	0	356.474	1.463	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)COc2cccc(F)c2)C[C@H]1c1cnn(C)c1	ZINC001087009151	953097384	/nfs/dbraw/zinc/09/73/84/953097384.db2.gz	RSHMVNYSLZZOTI-ZWKOTPCHSA-N	1	0	358.417	1.708	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2csc(CC)n2)C[C@H]1c1cnn(C)c1	ZINC001087010884	953102224	/nfs/dbraw/zinc/10/22/24/953102224.db2.gz	WJWSKJFIPGYPBC-JKSUJKDBSA-N	1	0	359.499	1.752	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3cccc(C)c3O2)C[C@H]1c1cnn(C)c1	ZINC001087012709	953107850	/nfs/dbraw/zinc/10/78/50/953107850.db2.gz	LYCXYRUSLMJRHP-IPMKNSEASA-N	1	0	366.465	1.802	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CC(C)(C)C)C[C@H]2OCC)C1=O	ZINC001087026012	953110663	/nfs/dbraw/zinc/11/06/63/953110663.db2.gz	CGLQQRRICJPYSR-IXDOHACOSA-N	1	0	365.518	1.663	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1cnn(C(C)(C)C)c1	ZINC001087035717	953145761	/nfs/dbraw/zinc/14/57/61/953145761.db2.gz	KSPSBPRAXBPKSJ-DJIMGWMZSA-N	1	0	361.490	1.751	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087038085	953151897	/nfs/dbraw/zinc/15/18/97/953151897.db2.gz	QFCYUWQFRHYCSX-IEBWSBKVSA-N	1	0	367.453	1.477	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1nccs1	ZINC001087039860	953156195	/nfs/dbraw/zinc/15/61/95/953156195.db2.gz	HJELTVAMRAKVDU-UKRRQHHQSA-N	1	0	359.455	1.610	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1ncc(C)o1	ZINC001087045456	953170449	/nfs/dbraw/zinc/17/04/49/953170449.db2.gz	JOTOYEYVCSGZMD-GDBMZVCRSA-N	1	0	357.414	1.450	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1nccs1	ZINC001087045386	953170470	/nfs/dbraw/zinc/17/04/70/953170470.db2.gz	GZWFGDJNBGAZOQ-IUODEOHRSA-N	1	0	359.455	1.610	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](OC)C2CC2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087050311	953177361	/nfs/dbraw/zinc/17/73/61/953177361.db2.gz	VQKPDZKLIXQZQL-AQNXPRMDSA-N	1	0	371.481	1.936	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1cccc(OC)n1	ZINC001087052595	953183947	/nfs/dbraw/zinc/18/39/47/953183947.db2.gz	CARDPUUBGDBSSJ-SJLPKXTDSA-N	1	0	357.454	1.457	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1nccn1C(F)F	ZINC001087052971	953184414	/nfs/dbraw/zinc/18/44/14/953184414.db2.gz	SSQJTDNFLLNKIZ-HUUCEWRRSA-N	1	0	366.412	1.645	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]C[C@@H]1CCCOC1	ZINC001087046978	953195412	/nfs/dbraw/zinc/19/54/12/953195412.db2.gz	LFMHKRBATTUQSN-YXJHDRRASA-N	1	0	360.458	1.380	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2n[nH]nc2C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087071449	953225423	/nfs/dbraw/zinc/22/54/23/953225423.db2.gz	QNELNQVFXRQRBN-IAGOWNOFSA-N	1	0	368.441	1.252	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cnon3)[C@H](OCC)C2)cc1	ZINC001087071487	953225930	/nfs/dbraw/zinc/22/59/30/953225930.db2.gz	SETJOIWIEYLWRO-SJLPKXTDSA-N	1	0	354.410	1.318	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]C[C@@H]3CCOC3)[C@H](OCC)C2)c1	ZINC001087082436	953240957	/nfs/dbraw/zinc/24/09/57/953240957.db2.gz	LUAYDFNVSQIZIJ-QXAKKESOSA-N	1	0	357.454	1.166	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ccccn3)[C@H](OCC)C2)nc1	ZINC001087097532	953284832	/nfs/dbraw/zinc/28/48/32/953284832.db2.gz	VJZBPNCNHXWOPG-YLJYHZDGSA-N	1	0	364.449	1.725	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3coc(C)n3)[C@H](OCC)C2)nc1	ZINC001087097552	953284880	/nfs/dbraw/zinc/28/48/80/953284880.db2.gz	WVGAQKOBBIMRLV-VQIMIIECSA-N	1	0	368.437	1.626	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3sccc3-n3ccnn3)C[C@]2(C)C1	ZINC001091768610	953291831	/nfs/dbraw/zinc/29/18/31/953291831.db2.gz	KGQWOORMKYEUPM-KDOFPFPSSA-N	1	0	355.467	1.746	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3COCCN3CC3CCC3)C[C@]2(C)C1	ZINC001091883721	953521166	/nfs/dbraw/zinc/52/11/66/953521166.db2.gz	TWKPDAWXZUAIKI-DYXWJJEUSA-N	1	0	361.530	1.844	20	30		FDEDRO
Cc1ccc(C#N)c(N2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@@H]3C2)n1	ZINC001091856979	953566308	/nfs/dbraw/zinc/56/63/08/953566308.db2.gz	RZURSGIQFDSRGI-MSOLQXFVSA-N	1	0	371.485	1.125	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc(Cn4ccnn4)o3)C[C@]2(C)C1	ZINC001091875815	953644345	/nfs/dbraw/zinc/64/43/45/953644345.db2.gz	KQMZZUAAZUHXPI-BEFAXECRSA-N	1	0	355.442	1.889	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cc(C)co4)C[C@]3(C)C2)C1=O	ZINC001091938636	953789164	/nfs/dbraw/zinc/78/91/64/953789164.db2.gz	MJUSDNVHIFBGRN-GUXCAODWSA-N	1	0	357.454	1.769	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)C3CCN(CC(F)F)CC3)C[C@]2(C)C1	ZINC001091956487	953846838	/nfs/dbraw/zinc/84/68/38/953846838.db2.gz	ALTWGYNKEAIMBV-APWZRJJASA-N	1	0	353.457	1.767	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCN(CC(F)(F)F)C3)C[C@]2(C)C1	ZINC001091956490	953846956	/nfs/dbraw/zinc/84/69/56/953846956.db2.gz	AWYOADJFBSQHKA-INMHGKMJSA-N	1	0	357.420	1.674	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3n[nH]c(=O)n3c2)C1	ZINC001196861349	971965136	/nfs/dbraw/zinc/96/51/36/971965136.db2.gz	RXPPCRDIRXAFBL-HUUCEWRRSA-N	1	0	361.446	1.180	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3C[N@H+](C[C@@H]4CCS(=O)(=O)C4)C[C@@]3(C)C2)C1	ZINC001091995258	953909946	/nfs/dbraw/zinc/90/99/46/953909946.db2.gz	DFCNPSUALBOYES-FCEWJHQRSA-N	1	0	366.527	1.558	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3C[N@H+](C[C@H]4CCS(=O)(=O)C4)C[C@@]3(C)C2)C1	ZINC001091995259	953911185	/nfs/dbraw/zinc/91/11/85/953911185.db2.gz	DFCNPSUALBOYES-MDZRGWNJSA-N	1	0	366.527	1.558	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3C[N@@H+]([C@@H]4CCCN(C)C4=O)C[C@@]3(C)C2)c1	ZINC001091996893	953913505	/nfs/dbraw/zinc/91/35/05/953913505.db2.gz	CSGIYSQOXVXTQD-OPYAIIAOSA-N	1	0	366.465	1.078	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@H](NC(=O)CCC[NH+]3CCCC3)[C@H]2C)n1	ZINC001091976781	953970382	/nfs/dbraw/zinc/97/03/82/953970382.db2.gz	IKURKBOCJBLFHB-WBVHZDCISA-N	1	0	370.501	1.870	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@H]3C[N@@H+](Cc4cnc(C)o4)C[C@@]3(C)C2)nn1	ZINC001092085027	954233767	/nfs/dbraw/zinc/23/37/67/954233767.db2.gz	AEHCBXPAKHMKKH-BEFAXECRSA-N	1	0	370.457	1.745	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cncn3C)C[C@@]2(C)C1	ZINC001092090422	954251113	/nfs/dbraw/zinc/25/11/13/954251113.db2.gz	PSNLMRWLINKXQV-HYJFEMIMSA-N	1	0	358.486	1.682	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)C(C4CC4)C4CC4)C[C@]3(C)C2)C1=O	ZINC001092185466	954483045	/nfs/dbraw/zinc/48/30/45/954483045.db2.gz	UPIDGXDDATXSET-HMFYCAOWSA-N	1	0	371.525	1.990	20	30		FDEDRO
C[C@]12CN(C(=O)Cc3nnc[nH]3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001092185374	954483097	/nfs/dbraw/zinc/48/30/97/954483097.db2.gz	GCCACVJVFJMRJR-APWZRJJASA-N	1	0	350.426	1.199	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccccc3C(=O)N(C)C)C[C@]2(C)C1	ZINC001092206882	954608146	/nfs/dbraw/zinc/60/81/46/954608146.db2.gz	OTELDKQYRKNXKQ-IERDGZPVSA-N	1	0	353.466	1.806	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@H+](CC[C@@H]4CCOC4)C[C@@]3(C)C2)nc1	ZINC001092211442	954619256	/nfs/dbraw/zinc/61/92/56/954619256.db2.gz	GEGSOSWOHZIIEH-OPYAIIAOSA-N	1	0	353.466	1.883	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3cccc(-n4cnnn4)c3)C[C@]2(C)C1	ZINC001092266925	954635460	/nfs/dbraw/zinc/63/54/60/954635460.db2.gz	HKFJUCIMEVFIRH-APWZRJJASA-N	1	0	352.442	1.632	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc(-n4cnnn4)cc3)C[C@]2(C)C1	ZINC001092257091	954719981	/nfs/dbraw/zinc/71/99/81/954719981.db2.gz	HZFVGQMEADEFKN-APWZRJJASA-N	1	0	350.426	1.080	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)COc3cccc(C(N)=O)c3)C[C@]2(C)C1	ZINC001092297990	954736245	/nfs/dbraw/zinc/73/62/45/954736245.db2.gz	IVLSZCDJKHJPOP-UTKZUKDTSA-N	1	0	371.481	1.911	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CCC([NH2+]Cc2cnn(C)n2)CC1	ZINC000964021994	1013128709	/nfs/dbraw/zinc/12/87/09/1013128709.db2.gz	REAHJJYQDDLAKW-KXIUCKCTSA-N	1	0	361.490	1.656	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1C[C@H]2CN(c3snc(C)c3C#N)C[C@@]2(C)C1	ZINC001092289589	954877836	/nfs/dbraw/zinc/87/78/36/954877836.db2.gz	IGZMBPWYXMEZSX-KBXCAEBGSA-N	1	0	361.515	1.950	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1	ZINC001092423453	955059874	/nfs/dbraw/zinc/05/98/74/955059874.db2.gz	KNGZFWKBHQWYLY-IDHHARJASA-N	1	0	368.485	1.411	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CNC(=O)c2cnccn2)[C@H](C)C1	ZINC001092438768	955098689	/nfs/dbraw/zinc/09/86/89/955098689.db2.gz	FMNGSPFRUBFDFY-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1CNC(=O)C[N@@H+]1CCC(C)(C)C1	ZINC001092446433	955123400	/nfs/dbraw/zinc/12/34/00/955123400.db2.gz	WUABIXMGDBRIGE-HZPDHXFCSA-N	1	0	355.486	1.874	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C	ZINC001092415928	955147373	/nfs/dbraw/zinc/14/73/73/955147373.db2.gz	KODBUAMNOKWUJK-NUJGCVRESA-N	1	0	370.501	1.800	20	30		FDEDRO
Cc1cc(N2C[C@@H](CNC(=O)[C@H](C3CC3)[NH+](C)C)[C@H](C)C2)c(C#N)cn1	ZINC001092415731	955147703	/nfs/dbraw/zinc/14/77/03/955147703.db2.gz	COTHPPPXDAFUQU-XVSDVWIESA-N	1	0	355.486	1.790	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc(F)ccc2OC)C1	ZINC001197091204	972076208	/nfs/dbraw/zinc/07/62/08/972076208.db2.gz	RNXLNRTTZWTOSW-KBRIMQKVSA-N	1	0	350.434	1.893	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3cc(C)oc3C)[C@H](C)C2)C1=O	ZINC001092459705	955181362	/nfs/dbraw/zinc/18/13/62/955181362.db2.gz	QXAUCBUVLKHJLK-QBIMZIAESA-N	1	0	359.470	1.981	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C	ZINC001092460532	955184115	/nfs/dbraw/zinc/18/41/15/955184115.db2.gz	OSMYUKPENRDXEK-OAGGEKHMSA-N	1	0	356.474	1.411	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)[C@@H]1COCCO1	ZINC001092469324	955201475	/nfs/dbraw/zinc/20/14/75/955201475.db2.gz	ACKMMIWMGJOKPZ-QBIMZIAESA-N	1	0	361.417	1.297	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@@H](C)[C@H](CCNC(=O)[C@H]3CCC[N@@H+]3C)C2)n1	ZINC001092484463	955240330	/nfs/dbraw/zinc/24/03/30/955240330.db2.gz	PRLBYYFQOCECTO-ZTFGCOKTSA-N	1	0	355.486	1.935	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3ccc(F)nc3)[C@H](C)C2)C1=O	ZINC001092512641	955293912	/nfs/dbraw/zinc/29/39/12/955293912.db2.gz	BOBXFGRMYTZWSO-FVQBIDKESA-N	1	0	360.433	1.305	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C	ZINC001092523836	955321522	/nfs/dbraw/zinc/32/15/22/955321522.db2.gz	OPWFMGIKUZDOOE-NUJGCVRESA-N	1	0	370.501	1.801	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)c1cn(C)cn1	ZINC001092545065	955374929	/nfs/dbraw/zinc/37/49/29/955374929.db2.gz	FKVVNLYMPAVUGX-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CN(c2nccnc2C#N)C[C@H]1C	ZINC001092548004	955388910	/nfs/dbraw/zinc/38/89/10/955388910.db2.gz	OSPVXHWLYZKXOV-JFIYKMOQSA-N	1	0	370.501	1.800	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC001092551189	955403020	/nfs/dbraw/zinc/40/30/20/955403020.db2.gz	PEKFXMPYQWSOKO-GDBMZVCRSA-N	1	0	366.469	1.845	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@@H]1COCCN1C	ZINC001092556129	955432531	/nfs/dbraw/zinc/43/25/31/955432531.db2.gz	YZDRYCHZWFLWMR-LZQZEXGQSA-N	1	0	356.470	1.073	20	30		FDEDRO
C[C@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)[C@H](C)C1	ZINC001092556130	955432570	/nfs/dbraw/zinc/43/25/70/955432570.db2.gz	ZBAPXWHLTIYOAS-IIAWOOMASA-N	1	0	371.485	1.631	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1CCNC(=O)C12CC[NH+](CC1)C2	ZINC001092531240	955489677	/nfs/dbraw/zinc/48/96/77/955489677.db2.gz	BJDYYCGGBZRBSX-NVXWUHKLSA-N	1	0	353.470	1.628	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC001092532093	955495688	/nfs/dbraw/zinc/49/56/88/955495688.db2.gz	LANIWQYQSTTYMM-ATZDWAIDSA-N	1	0	366.465	1.788	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1CNC(=O)c1ncn(C)n1	ZINC001092589538	955565397	/nfs/dbraw/zinc/56/53/97/955565397.db2.gz	VQNADRYUAKNBKS-GDBMZVCRSA-N	1	0	371.872	1.818	20	30		FDEDRO
CCn1ncc(C(=O)NC[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)n1	ZINC001092589977	955567182	/nfs/dbraw/zinc/56/71/82/955567182.db2.gz	HRAYUYFMBBCGFG-RHSMWYFYSA-N	1	0	352.442	1.668	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CN(c2nccnc2C#N)C[C@H]1C	ZINC001092595592	955591049	/nfs/dbraw/zinc/59/10/49/955591049.db2.gz	UOMCWJAYOCKNEP-JFIYKMOQSA-N	1	0	370.501	1.801	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2CN(c3ccc(C#N)nn3)C[C@H]2C)CC[N@@H+]1C	ZINC001092598118	955603330	/nfs/dbraw/zinc/60/33/30/955603330.db2.gz	MVEMKEYZRNIFQC-XYVMCAHJSA-N	1	0	370.501	1.657	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CCNC(=O)CC[C@H]1CCC[N@@H+]1C	ZINC001092598447	955604371	/nfs/dbraw/zinc/60/43/71/955604371.db2.gz	DGNMFIIPHGHGDP-JFIYKMOQSA-N	1	0	370.501	1.801	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)[C@@H]1CC(=O)N(C)C1	ZINC001092655096	955908013	/nfs/dbraw/zinc/90/80/13/955908013.db2.gz	KTNAPDTUQWOOPP-MGPQQGTHSA-N	1	0	360.483	1.282	20	30		FDEDRO
CC[C@H](C(=O)N1C[C@@H](CNc2ccnc(C#N)n2)[C@H](C)C1)[NH+](CC)CC	ZINC001092674220	955981577	/nfs/dbraw/zinc/98/15/77/955981577.db2.gz	ARMITVWQFWMNNL-BZUAXINKSA-N	1	0	358.490	1.397	20	30		FDEDRO
C[NH+](C)CC1(C(=O)NC[C@]23CCC[C@H]2N(c2cncc(C#N)n2)CC3)CC1	ZINC001092709948	956139023	/nfs/dbraw/zinc/13/90/23/956139023.db2.gz	MJUQNLLEGLPMJG-VQIMIIECSA-N	1	0	368.485	1.555	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CCOCC)c2)C1	ZINC001197274141	972185419	/nfs/dbraw/zinc/18/54/19/972185419.db2.gz	PYEFZGNVIYVDAE-QZTJIDSGSA-N	1	0	366.506	1.665	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3c(C)cncc3C)[C@H](C)C2)C1=O	ZINC001092823707	956538922	/nfs/dbraw/zinc/53/89/22/956538922.db2.gz	BMORGEOGVOSMNN-KURKYZTESA-N	1	0	370.497	1.783	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]2C)cc1	ZINC001092876333	956622764	/nfs/dbraw/zinc/62/27/64/956622764.db2.gz	CDBGOOKDEQZXHX-LZQZEXGQSA-N	1	0	363.465	1.745	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2COCCN2CC(F)F)[C@H](C)C1	ZINC001092856053	956703000	/nfs/dbraw/zinc/70/30/00/956703000.db2.gz	UVUCVSUBGNOOAA-OAGGEKHMSA-N	1	0	359.461	1.603	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CNC(=O)c2csnn2)[C@H](C)C1	ZINC001092863267	956729080	/nfs/dbraw/zinc/72/90/80/956729080.db2.gz	KJWKNMOERFBUPL-IUODEOHRSA-N	1	0	371.466	1.916	20	30		FDEDRO
C[C@H]1C[N@H+](C)CC[C@@H]1NS(=O)(=O)c1ccc(Br)c(C#N)c1	ZINC001197339508	972211865	/nfs/dbraw/zinc/21/18/65/972211865.db2.gz	HKIVGMRNRQPXIN-HZMBPMFUSA-N	1	0	372.288	1.939	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21	ZINC001092899121	956834351	/nfs/dbraw/zinc/83/43/51/956834351.db2.gz	OKNYKOHMFFJMPP-FZWVUDROSA-N	1	0	357.429	1.774	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)CC2CCOCC2)C1	ZINC001197395593	972218222	/nfs/dbraw/zinc/21/82/22/972218222.db2.gz	CEWFGAZDBXQYKN-IAGOWNOFSA-N	1	0	354.491	1.193	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]2C)c1	ZINC001092952835	956888110	/nfs/dbraw/zinc/88/81/10/956888110.db2.gz	SHRUHIMKBXDJJD-HHXXYDBFSA-N	1	0	368.481	1.277	20	30		FDEDRO
N#Cc1nccnc1N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2	ZINC001092976743	956971260	/nfs/dbraw/zinc/97/12/60/956971260.db2.gz	RSCRPQWTDHEXNE-NUJGCVRESA-N	1	0	368.485	1.840	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)c3cnoc3CC)[C@H](C)C2)C1=O	ZINC001093016891	957137415	/nfs/dbraw/zinc/13/74/15/957137415.db2.gz	NEVJRZLSFBSIIY-FMKPAKJESA-N	1	0	360.458	1.322	20	30		FDEDRO
COc1cncc(C(=O)NC[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)n1	ZINC001093026975	957173668	/nfs/dbraw/zinc/17/36/68/957173668.db2.gz	JBCXCOJKBXAXIK-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
COC1(OC)CCOC[C@@H]1N[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N	ZINC001197431970	972247011	/nfs/dbraw/zinc/24/70/11/972247011.db2.gz	MEEYQRNZWHAGAU-FZMZJTMJSA-N	1	0	351.403	1.463	20	30		FDEDRO
C[NH+](C)C1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)nn2)CCCC1	ZINC001093029604	957185665	/nfs/dbraw/zinc/18/56/65/957185665.db2.gz	GRFKRCAVXWHRHJ-ZACQAIPSSA-N	1	0	368.485	1.839	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]2C)cc1	ZINC001093031367	957242046	/nfs/dbraw/zinc/24/20/46/957242046.db2.gz	BTNWRBIGCXUCEI-SUMDDJOVSA-N	1	0	369.465	1.275	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3cn(C)nc3C)C[C@H]2C)nn1	ZINC001093035143	957252954	/nfs/dbraw/zinc/25/29/54/957252954.db2.gz	PHJGHWGKEWTLNW-UKRRQHHQSA-N	1	0	357.462	1.004	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3cc(C)ncn3)C[C@H]2C)nn1	ZINC001093035225	957253679	/nfs/dbraw/zinc/25/36/79/957253679.db2.gz	SVTVOWHLNJTQCH-UKRRQHHQSA-N	1	0	355.446	1.060	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccn(C)n3)C[C@H]2C)nn1	ZINC001093040809	957264995	/nfs/dbraw/zinc/26/49/95/957264995.db2.gz	VLHNEFDBMXKKFC-HUUCEWRRSA-N	1	0	357.462	1.086	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@H]2C)nn1	ZINC001093040481	957265143	/nfs/dbraw/zinc/26/51/43/957265143.db2.gz	QQPDMKIXRWNZCP-BRWVUGGUSA-N	1	0	361.490	1.579	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H]3CCC[C@]3(NC(=O)C[N@@H+](C)C(C)C)C2)n1	ZINC001093087260	957270457	/nfs/dbraw/zinc/27/04/57/957270457.db2.gz	AVTCTOSDWFSLNG-KXBFYZLASA-N	1	0	356.474	1.472	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)c1ccncn1	ZINC001093066024	957308931	/nfs/dbraw/zinc/30/89/31/957308931.db2.gz	MOMUAXFPJVPMDE-NVXWUHKLSA-N	1	0	365.437	1.877	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H](CNC(=O)c3ncccn3)[C@H](C)C2)cc1C#N	ZINC001093071424	957325896	/nfs/dbraw/zinc/32/58/96/957325896.db2.gz	AGIDRRJJAFGPAZ-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(C3CCOCC3)n2)C1	ZINC001197512357	972271030	/nfs/dbraw/zinc/27/10/30/972271030.db2.gz	NYAGJAHSONXBIY-FRFSOERESA-N	1	0	363.458	1.698	20	30		FDEDRO
Cc1nc(N2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)ccc1C#N	ZINC001093092762	957542624	/nfs/dbraw/zinc/54/26/24/957542624.db2.gz	RPNLOLDVSQACRP-PXNSSMCTSA-N	1	0	371.485	1.315	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3cc4c([nH]3)CCC4)[C@H](C)C2)C1=O	ZINC001093122611	957581592	/nfs/dbraw/zinc/58/15/92/957581592.db2.gz	YGPQXLHHEXLURN-IDHHARJASA-N	1	0	370.497	1.588	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1C	ZINC001093137551	957630742	/nfs/dbraw/zinc/63/07/42/957630742.db2.gz	CUYRLCXMRKFRLU-IAGOWNOFSA-N	1	0	367.453	1.288	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)[C@H](C)C2)cc1C#N	ZINC001093143368	957642200	/nfs/dbraw/zinc/64/22/00/957642200.db2.gz	CTJUADGQZIQNRB-XYPHTWIQSA-N	1	0	370.453	1.030	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(-n3cnnn3)cc2)[C@H](C)C1	ZINC001093179710	957688317	/nfs/dbraw/zinc/68/83/17/957688317.db2.gz	KTAINUQFRRTMHN-IUODEOHRSA-N	1	0	360.849	1.713	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(Cc3nccs3)C[C@H]2C)CC1	ZINC001093222260	957849735	/nfs/dbraw/zinc/84/97/35/957849735.db2.gz	KDTBXPVWWMUOPN-NVXWUHKLSA-N	1	0	360.527	1.672	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(Cc3coc(C)n3)C[C@H]2C)CC1	ZINC001093224424	957856160	/nfs/dbraw/zinc/85/61/60/957856160.db2.gz	VXXHDLMUNRKQHV-CRAIPNDOSA-N	1	0	358.486	1.512	20	30		FDEDRO
CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)C1=O	ZINC001093275041	957945932	/nfs/dbraw/zinc/94/59/32/957945932.db2.gz	VPZKQTYDARRGJF-IIAWOOMASA-N	1	0	357.458	1.195	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)Cc3cnoc3)C[C@H]2C)C1=O	ZINC001093284408	957964377	/nfs/dbraw/zinc/96/43/77/957964377.db2.gz	GHLGUOCXDXOQLS-OIISXLGYSA-N	1	0	360.458	1.078	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3=COCCO3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093427022	958043121	/nfs/dbraw/zinc/04/31/21/958043121.db2.gz	HZYSVQDUBMEOOW-SZXPJGKVSA-N	1	0	370.877	1.593	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc(C)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093427956	958045176	/nfs/dbraw/zinc/04/51/76/958045176.db2.gz	OACOZUJNUWKPGT-LBKNJMOBSA-N	1	0	358.486	1.941	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCn3cncn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093431864	958056456	/nfs/dbraw/zinc/05/64/56/958056456.db2.gz	XWDUJGMTAXOARO-ZAWLATJESA-N	1	0	361.490	1.210	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)n(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093432736	958059125	/nfs/dbraw/zinc/05/91/25/958059125.db2.gz	FEUDISJUANIWLH-XSYGEPLQSA-N	1	0	360.502	1.884	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nccnc3N)[C@@H]2C(C)C)C[C@H]1O	ZINC001093433331	958059605	/nfs/dbraw/zinc/05/96/05/958059605.db2.gz	CEGINRFWSNMFQP-UMHPPVOVSA-N	1	0	359.474	1.215	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093441520	958077532	/nfs/dbraw/zinc/07/75/32/958077532.db2.gz	AQBOOBKIEIMGCA-XLMAVXFVSA-N	1	0	364.877	1.809	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccnn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093443827	958086746	/nfs/dbraw/zinc/08/67/46/958086746.db2.gz	UWUXRAFPUJOJGE-JYBIWHBTSA-N	1	0	360.502	1.505	20	30		FDEDRO
Cc1ncc(C[NH2+][C@@H]2C[C@@]3(CN(C(=O)C#CC4CC4)[C@H]3C(C)C)C[C@H]2O)o1	ZINC001093444049	958088008	/nfs/dbraw/zinc/08/80/08/958088008.db2.gz	YOZAQUSRRDADCT-QCFAMHMHSA-N	1	0	371.481	1.863	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccn(CC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093446644	958095563	/nfs/dbraw/zinc/09/55/63/958095563.db2.gz	JGYUPGRZPYYDRX-JYBIWHBTSA-N	1	0	358.486	1.045	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccn(CC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093446643	958095688	/nfs/dbraw/zinc/09/56/88/958095688.db2.gz	JGYUPGRZPYYDRX-IZBJGVDFSA-N	1	0	358.486	1.045	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nn(C)cc3Cl)[C@H]2C(C)C)C[C@H]1O	ZINC001093447645	958101620	/nfs/dbraw/zinc/10/16/20/958101620.db2.gz	XUZVDWQLEKNXGK-AHEZYBDSSA-N	1	0	364.877	1.286	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3ccnn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093448416	958107500	/nfs/dbraw/zinc/10/75/00/958107500.db2.gz	JELBUHMSEIEJJB-LFGUQSLTSA-N	1	0	360.502	1.505	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc4cc[nH]c4n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093451094	958131108	/nfs/dbraw/zinc/13/11/08/958131108.db2.gz	QYEYCMPBVMTYLH-DCXXXQMHSA-N	1	0	366.465	1.776	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccc(F)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093451690	958134006	/nfs/dbraw/zinc/13/40/06/958134006.db2.gz	WSFYDKHEPPIXBG-HNBVOPMISA-N	1	0	361.461	1.915	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C3CCOCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093424116	958177668	/nfs/dbraw/zinc/17/76/68/958177668.db2.gz	QIDCKQYQZCSBMC-FTEYMNFISA-N	1	0	350.503	1.955	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(OC)nc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093460218	958188097	/nfs/dbraw/zinc/18/80/97/958188097.db2.gz	YKVNEBWSMXMPFZ-ZTRFORPCSA-N	1	0	357.454	1.303	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc4nonc4c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093463072	958195270	/nfs/dbraw/zinc/19/52/70/958195270.db2.gz	SLHAGKKUZBSPQA-MLYOOKFZSA-N	1	0	370.453	1.989	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(CF)CCOCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093464030	958198104	/nfs/dbraw/zinc/19/81/04/958198104.db2.gz	BIFGGDXVGZIIHB-WWNBULGVSA-N	1	0	368.493	1.905	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093464931	958202129	/nfs/dbraw/zinc/20/21/29/958202129.db2.gz	DSUZNHGPEKJRMD-CBZIJGRNSA-N	1	0	364.877	1.809	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C(N)=O)co3)[C@H]2C(C)C)C[C@H]1O	ZINC001093465272	958202976	/nfs/dbraw/zinc/20/29/76/958202976.db2.gz	IZHKVRMKGDSDEV-GTACMHHNSA-N	1	0	361.442	1.144	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COC3CCOCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093465628	958204752	/nfs/dbraw/zinc/20/47/52/958204752.db2.gz	IQCJKGVGNNYDLB-JYBIWHBTSA-N	1	0	366.502	1.334	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)nn3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001093466148	958208255	/nfs/dbraw/zinc/20/82/55/958208255.db2.gz	LWXYSGKMEKFYJB-PHXBYCTMSA-N	1	0	360.502	1.977	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c(C)noc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093477524	958219177	/nfs/dbraw/zinc/21/91/77/958219177.db2.gz	IVSOOARCPGUSFK-HNBVOPMISA-N	1	0	359.470	1.433	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COc3cccnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093469249	958221004	/nfs/dbraw/zinc/22/10/04/958221004.db2.gz	FLIGTXNIROYTQH-HNBVOPMISA-N	1	0	357.454	1.060	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COc3cccnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093469253	958221286	/nfs/dbraw/zinc/22/12/86/958221286.db2.gz	FLIGTXNIROYTQH-LFGUQSLTSA-N	1	0	357.454	1.060	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2csc(COC)n2)C1	ZINC001197604166	972329885	/nfs/dbraw/zinc/32/98/85/972329885.db2.gz	AXVUTDURRLLRMI-HZPDHXFCSA-N	1	0	367.515	1.740	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc4nccn4c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093473725	958245213	/nfs/dbraw/zinc/24/52/13/958245213.db2.gz	RWDKITKDIOFSMJ-REHHDOPLSA-N	1	0	366.465	1.547	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncccc3Cl)[C@H]2C(C)C)C[C@H]1O	ZINC001093474187	958247246	/nfs/dbraw/zinc/24/72/46/958247246.db2.gz	QPXIBFNAVBBJFM-RRIFGTCXSA-N	1	0	361.873	1.948	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3cnccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093474516	958248827	/nfs/dbraw/zinc/24/88/27/958248827.db2.gz	VRRQLJVDRUAJAN-HNBVOPMISA-N	1	0	356.470	1.009	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(C)c3OC)[C@H]2C(C)C)C[C@H]1O	ZINC001093475352	958251917	/nfs/dbraw/zinc/25/19/17/958251917.db2.gz	XLSQYYMPLLAPJJ-OAFZBRQQSA-N	1	0	362.474	1.194	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(C)c3OC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093475350	958252654	/nfs/dbraw/zinc/25/26/54/958252654.db2.gz	XLSQYYMPLLAPJJ-NNFUDEMPSA-N	1	0	362.474	1.194	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COc3ccccc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093477208	958257165	/nfs/dbraw/zinc/25/71/65/958257165.db2.gz	FYOLQCQPFOHQMP-MCEIDBOGSA-N	1	0	370.493	1.973	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(OC)ccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093455394	958273335	/nfs/dbraw/zinc/27/33/35/958273335.db2.gz	MTPWRYABWRXXAU-XSYGEPLQSA-N	1	0	359.470	1.856	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(c4cc(C)no4)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093458281	958282860	/nfs/dbraw/zinc/28/28/60/958282860.db2.gz	BWTZJFKEMWJJCU-CIWUYKSXSA-N	1	0	371.481	1.614	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncnc3C3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093477978	958291874	/nfs/dbraw/zinc/29/18/74/958291874.db2.gz	OPMPWJIECGXUGY-PLOVASNDSA-N	1	0	368.481	1.567	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nonc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093479160	958297604	/nfs/dbraw/zinc/29/76/04/958297604.db2.gz	IGLCNDGGPJNGHQ-SMKXDYDZSA-N	1	0	368.865	1.710	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccccc3OC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093480427	958302893	/nfs/dbraw/zinc/30/28/93/958302893.db2.gz	ZRCQWCCXJQWAFQ-MCEIDBOGSA-N	1	0	370.493	1.837	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3cc(Cl)c[nH]3)C[C@H]2C)C1=O	ZINC001093633327	958396468	/nfs/dbraw/zinc/39/64/68/958396468.db2.gz	POACSSCUACFKFI-NFAWXSAZSA-N	1	0	364.877	1.753	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2nc(C)nc2C)C1	ZINC001197672774	972345098	/nfs/dbraw/zinc/34/50/98/972345098.db2.gz	GBYDAHVZHRVWDG-QZTJIDSGSA-N	1	0	363.506	1.583	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2Cc2ccccc2)[C@H](C)C1	ZINC001093672970	958514237	/nfs/dbraw/zinc/51/42/37/958514237.db2.gz	HCNOURKWAQGBQB-ZMSDIMECSA-N	1	0	367.457	1.065	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2cc(=O)n3ccsc3n2)[C@H](C)C1	ZINC001093678388	958531795	/nfs/dbraw/zinc/53/17/95/958531795.db2.gz	KDYFLEVILSJLRQ-YNEHKIRRSA-N	1	0	359.455	1.100	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1nnc(C2CC2)n1C	ZINC001093722621	958599518	/nfs/dbraw/zinc/59/95/18/958599518.db2.gz	VJCUZAOTEREMBD-TZMCWYRMSA-N	1	0	367.457	1.390	20	30		FDEDRO
CCCn1c(C)nnc1C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC001093722542	958599590	/nfs/dbraw/zinc/59/95/90/958599590.db2.gz	NOJDBWOPOCZZFM-UKRRQHHQSA-N	1	0	369.473	1.694	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2COCCN2C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093728822	958620528	/nfs/dbraw/zinc/62/05/28/958620528.db2.gz	UEEHIDKYVOPFQK-LZQZEXGQSA-N	1	0	356.470	1.073	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3cncnc3)C[C@H]2C)cc1C#N	ZINC001093729787	958625798	/nfs/dbraw/zinc/62/57/98/958625798.db2.gz	OGLMFFYKAJZWCO-RDTXWAMCSA-N	1	0	365.437	1.855	20	30		FDEDRO
C#C[C@@H](NC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCO1	ZINC000773213845	958636183	/nfs/dbraw/zinc/63/61/83/958636183.db2.gz	HONVJHOMBPJQEH-WOJBJXKFSA-N	1	0	370.497	1.284	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001093752346	958678284	/nfs/dbraw/zinc/67/82/84/958678284.db2.gz	FKUCZPKSVAJGQW-IUODEOHRSA-N	1	0	356.405	1.324	20	30		FDEDRO
CCn1nncc1C(=O)N1C[C@@H](C[NH2+]Cc2cc(C#N)ccc2F)[C@H](C)C1	ZINC001093756151	958687448	/nfs/dbraw/zinc/68/74/48/958687448.db2.gz	BHQAPCVQPJFLPA-CZUORRHYSA-N	1	0	370.432	1.807	20	30		FDEDRO
C[C@@H]1CN(C(=O)CO[C@H]2CCOC2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093768485	958720839	/nfs/dbraw/zinc/72/08/39/958720839.db2.gz	WNWWXOPBZNSTBB-LZQZEXGQSA-N	1	0	357.454	1.548	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001093782223	958764941	/nfs/dbraw/zinc/76/49/41/958764941.db2.gz	AWYORHWZSCROSA-JPUXWFAOSA-N	1	0	357.429	1.918	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)[C@H](C)C1	ZINC001093793928	958796416	/nfs/dbraw/zinc/79/64/16/958796416.db2.gz	DVEZJNZPKWZHNF-RAIGVLPGSA-N	1	0	355.866	1.254	20	30		FDEDRO
CCN1C[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3ccccc3C#N)[C@H](C)C2)CC1=O	ZINC001093804135	958838980	/nfs/dbraw/zinc/83/89/80/958838980.db2.gz	CSTKHXKECUHCOO-ATZDWAIDSA-N	1	0	368.481	1.611	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnc(CC)o2)[C@H](C)C1	ZINC001093778995	958875312	/nfs/dbraw/zinc/87/53/12/958875312.db2.gz	SNFZSENQLQWMHA-FPCVCCKLSA-N	1	0	362.474	1.797	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C)nc2C)[C@H](C)C1	ZINC001093833186	958928735	/nfs/dbraw/zinc/92/87/35/958928735.db2.gz	XBNQMEAMKPLOJF-HBGVWJBISA-N	1	0	368.525	1.980	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1	ZINC001093843953	958962467	/nfs/dbraw/zinc/96/24/67/958962467.db2.gz	VRWIMYHBOIKNGO-MLGOLLRUSA-N	1	0	353.426	1.793	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093869476	959053386	/nfs/dbraw/zinc/05/33/86/959053386.db2.gz	YZUUZMGTCBOEBN-GPMSIDNRSA-N	1	0	368.481	1.611	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCN(C)C(=O)C2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093869478	959053620	/nfs/dbraw/zinc/05/36/20/959053620.db2.gz	YZUUZMGTCBOEBN-JTDSTZFVSA-N	1	0	368.481	1.611	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CCc3ccncc3)C[C@H]2C)C1=O	ZINC001093880266	959100135	/nfs/dbraw/zinc/10/01/35/959100135.db2.gz	PGYLDTGWDSBAPW-BHIYHBOVSA-N	1	0	370.497	1.485	20	30		FDEDRO
Cc1cncn1CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1	ZINC001093920950	959218812	/nfs/dbraw/zinc/21/88/12/959218812.db2.gz	CLUWUZITZKAIHM-DNVCBOLYSA-N	1	0	351.454	1.948	20	30		FDEDRO
Cc1n[nH]nc1C(=O)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2C#N)[C@H](C)C1	ZINC001093958894	959358618	/nfs/dbraw/zinc/35/86/18/959358618.db2.gz	LBBBCAKNTGQOLZ-IAQYHMDHSA-N	1	0	356.405	1.622	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093985943	959424343	/nfs/dbraw/zinc/42/43/43/959424343.db2.gz	MLHWIKJWVMHNFS-FPDPHYFHSA-N	1	0	368.481	1.659	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001094008284	959503337	/nfs/dbraw/zinc/50/33/37/959503337.db2.gz	LEAZSPQFMHXUAX-IUODEOHRSA-N	1	0	358.417	1.147	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+][C@H]3CCN(CC=C)C3=O)[C@H](C)C2)c1	ZINC001094027847	959549091	/nfs/dbraw/zinc/54/90/91/959549091.db2.gz	HUVROONAXHIRMF-LZQZEXGQSA-N	1	0	366.465	1.148	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3cn(C(C)C)nn3)[C@H](C)C2)c1	ZINC001094028259	959549657	/nfs/dbraw/zinc/54/96/57/959549657.db2.gz	XEWLHLNLGFDZCE-CRAIPNDOSA-N	1	0	366.469	1.733	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3cncc(OC)n3)[C@H](C)C2)c1	ZINC001094028244	959550192	/nfs/dbraw/zinc/55/01/92/959550192.db2.gz	WMLBMXGQVAJTSM-RHSMWYFYSA-N	1	0	365.437	1.359	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+][C@H](C)c3nnc(C)o3)[C@H](C)C2)nn1	ZINC001094095608	959774261	/nfs/dbraw/zinc/77/42/61/959774261.db2.gz	UYGBGFYCMPHJQO-YRGRVCCFSA-N	1	0	359.434	1.214	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3cnns3)[C@H](C)C2)nn1	ZINC001094099530	959782952	/nfs/dbraw/zinc/78/29/52/959782952.db2.gz	FSKABONDERDRPB-CHWSQXEVSA-N	1	0	361.475	1.204	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3cn(C)nc3C)[C@H](C)C2)nn1	ZINC001094101504	959883001	/nfs/dbraw/zinc/88/30/01/959883001.db2.gz	WQGUKEXVMPYADR-GDBMZVCRSA-N	1	0	371.489	1.394	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C[NH2+]Cc2cncn2C)[C@H](C)C1	ZINC001094158891	959929517	/nfs/dbraw/zinc/92/95/17/959929517.db2.gz	NPDAGUIBIWCYSL-HZPDHXFCSA-N	1	0	369.469	1.878	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]C[C@H]2CCCCO2)[C@H](C)C1	ZINC001094174020	959974931	/nfs/dbraw/zinc/97/49/31/959974931.db2.gz	MWSPBKSTKOAYSO-KZNAEPCWSA-N	1	0	371.481	1.960	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H]3CCN(CC=C)C3=O)[C@H](C)C2)nc1	ZINC001094174316	959977410	/nfs/dbraw/zinc/97/74/10/959977410.db2.gz	FUBNJWGRTQAYKB-SZVBFZGTSA-N	1	0	366.465	1.148	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cc4n(n3)CCC4)[C@H](C)C2)cn1	ZINC001094175009	959979675	/nfs/dbraw/zinc/97/96/75/959979675.db2.gz	WPKSGHKCKLZSQM-NVXWUHKLSA-N	1	0	363.465	1.704	20	30		FDEDRO
Cc1nonc1CC(=O)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2C#N)[C@H](C)C1	ZINC001094142287	959999421	/nfs/dbraw/zinc/99/94/21/959999421.db2.gz	WGVRCOPREUETCQ-MLGOLLRUSA-N	1	0	371.416	1.816	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]Cc2cnn(C)c2)[C@H](C)C1	ZINC001094189588	960074501	/nfs/dbraw/zinc/07/45/01/960074501.db2.gz	BWVNGJHMUXPLOV-OXQOHEQNSA-N	1	0	350.466	1.828	20	30		FDEDRO
Cc1nonc1C(=O)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2C#N)[C@H](C)C1	ZINC001094256130	960229744	/nfs/dbraw/zinc/22/97/44/960229744.db2.gz	JIGSCQCXSKUAJA-IAQYHMDHSA-N	1	0	357.389	1.887	20	30		FDEDRO
Cn1nccc1C[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH]c(C#N)c3)CCC[C@@H]12	ZINC001094393836	960340880	/nfs/dbraw/zinc/34/08/80/960340880.db2.gz	ZBVALRQWZWAFRO-IEBWSBKVSA-N	1	0	352.442	1.794	20	30		FDEDRO
Cn1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)c4c[nH]c(C#N)c4)CCC[C@@H]23)n1	ZINC001094397006	960347538	/nfs/dbraw/zinc/34/75/38/960347538.db2.gz	IHJCBWGDIXJZOX-IEBWSBKVSA-N	1	0	352.442	1.794	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)CCC[C@@H]12	ZINC001094415085	960404308	/nfs/dbraw/zinc/40/43/08/960404308.db2.gz	MOLWRVCHDPXKBJ-XAUMDUMWSA-N	1	0	369.469	1.147	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC(=O)N(CC)C3)CCC[C@@H]12	ZINC001094430941	960439530	/nfs/dbraw/zinc/43/95/30/960439530.db2.gz	ZTSZGRRMTFNDFU-IIDMSEBBSA-N	1	0	353.894	1.968	20	30		FDEDRO
Cn1nncc1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccc(C#N)c1)CC2	ZINC001094406107	960455256	/nfs/dbraw/zinc/45/52/56/960455256.db2.gz	FJJPBSIQFZYQMJ-UYAOXDASSA-N	1	0	364.453	1.861	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCS(=O)(=O)C3)CCC[C@@H]12	ZINC001094463162	960459412	/nfs/dbraw/zinc/45/94/12/960459412.db2.gz	HPWMBCVQYJACDF-LZLYRXPVSA-N	1	0	354.516	1.748	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)CCC[C@@H]12	ZINC001094446318	960515835	/nfs/dbraw/zinc/51/58/35/960515835.db2.gz	XJZLVMILOJAAEZ-HGTKMLMNSA-N	1	0	362.392	1.880	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3nc(OC)cc(OC)n3)CCC[C@@H]12	ZINC001094450645	960526298	/nfs/dbraw/zinc/52/62/98/960526298.db2.gz	XOVZSAPRUIHLIE-AUUYWEPGSA-N	1	0	358.442	1.492	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3COCCN3CC)CCC[C@@H]12	ZINC001094453437	960534292	/nfs/dbraw/zinc/53/42/92/960534292.db2.gz	UENUDDHRPYWUJX-JFIYKMOQSA-N	1	0	355.910	1.820	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4c(c3)NC(=O)CO4)CCC[C@@H]12	ZINC001094459491	960560180	/nfs/dbraw/zinc/56/01/80/960560180.db2.gz	MVANPJUFCODUFS-DNVCBOLYSA-N	1	0	356.426	1.573	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4cnn(C)c4C3)CCC[C@@H]12	ZINC001094497287	960609930	/nfs/dbraw/zinc/60/99/30/960609930.db2.gz	RGKSMSBBYZGKAL-LDQXTDLNSA-N	1	0	354.498	1.909	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(Cn4ccnn4)o3)CCC[C@@H]12	ZINC001094471068	960638105	/nfs/dbraw/zinc/63/81/05/960638105.db2.gz	IVDRJMHQEDJVIK-UYAOXDASSA-N	1	0	367.453	1.917	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3COCCN3CC(F)F)CCC[C@@H]12	ZINC001094477336	960647726	/nfs/dbraw/zinc/64/77/26/960647726.db2.gz	BTPSKGBDWJLMBG-FRQCXROJSA-N	1	0	369.456	1.336	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)c4nnc[nH]4)CCC[C@@H]23)s1	ZINC001094538486	960769357	/nfs/dbraw/zinc/76/93/57/960769357.db2.gz	HYXNJFZQHLNTKK-RHSMWYFYSA-N	1	0	356.455	1.912	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@]3(CNC(=O)c4cccnn4)CCC[C@@H]23)C1=O	ZINC001094543407	960786522	/nfs/dbraw/zinc/78/65/22/960786522.db2.gz	ITBGTXUGVAYUMW-SQGPQFPESA-N	1	0	369.469	1.238	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(C(=O)NC)n3)CCC[C@@H]12	ZINC001094571777	960844907	/nfs/dbraw/zinc/84/49/07/960844907.db2.gz	GLNHQHFADOVERB-YLJYHZDGSA-N	1	0	356.470	1.992	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)C3CCN(C(N)=O)CC3)CCC[C@@H]12	ZINC001094575909	960858483	/nfs/dbraw/zinc/85/84/83/960858483.db2.gz	KZULQQQUBIMTFG-CRAIPNDOSA-N	1	0	368.909	1.890	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3COCCN3C(C)=O)CCC[C@@H]12	ZINC001094582878	960881138	/nfs/dbraw/zinc/88/11/38/960881138.db2.gz	IXNSKIRQBKPYJL-LZLYRXPVSA-N	1	0	369.893	1.347	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NCC)C1	ZINC001181525635	960904840	/nfs/dbraw/zinc/90/48/40/960904840.db2.gz	PASNTIHWKJZWQS-OAFZBRQQSA-N	1	0	351.491	1.178	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)c3[nH]c(=O)[nH]c(=O)c3OC)CCC[C@@H]12	ZINC001094559465	960916492	/nfs/dbraw/zinc/91/64/92/960916492.db2.gz	UUVWUNIANREOFY-KZULUSFZSA-N	1	0	362.430	1.447	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C[C@H]1C	ZINC001181541509	960923085	/nfs/dbraw/zinc/92/30/85/960923085.db2.gz	SACIKWFPIVWDFU-ZIKOTGLESA-N	1	0	357.498	1.412	20	30		FDEDRO
N#Cc1ccccc1C(=O)N1CCC(NC(=O)C23CC[NH+](CC2)CC3)CC1	ZINC001181551432	960933717	/nfs/dbraw/zinc/93/37/17/960933717.db2.gz	CNSCYFHPVXBXPO-UHFFFAOYSA-N	1	0	366.465	1.765	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2	ZINC001110161371	961107918	/nfs/dbraw/zinc/10/79/18/961107918.db2.gz	CINKZOUHDKFRHC-DFEOGRTESA-N	1	0	362.518	1.131	20	30		FDEDRO
C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	ZINC001171515640	961212666	/nfs/dbraw/zinc/21/26/66/961212666.db2.gz	NIAGOLSUAMPUHI-MJBXVCDLSA-N	1	0	350.381	1.621	20	30		FDEDRO
CCOC(=O)CCCc1ccc(C#N)cc1NC(=O)C1(O)CC[NH+](C)CC1	ZINC001182032413	961351680	/nfs/dbraw/zinc/35/16/80/961351680.db2.gz	GIEWMBUSWTYOBO-UHFFFAOYSA-N	1	0	373.453	1.839	20	30		FDEDRO
C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@@H+]([C@@H]1CCN(C3CC3)C(=O)C1)C2	ZINC001172011901	961385451	/nfs/dbraw/zinc/38/54/51/961385451.db2.gz	SZSBPTRQFVXWHX-WIYYLYMNSA-N	1	0	374.529	1.323	20	30		FDEDRO
COCC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C[C@H]1C	ZINC001182094463	961457636	/nfs/dbraw/zinc/45/76/36/961457636.db2.gz	ONMMGBKEMXZIMB-WQZMEWCLSA-N	1	0	362.514	1.773	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC(NC(=O)N2CCOCC2)CC1	ZINC001172312994	961617829	/nfs/dbraw/zinc/61/78/29/961617829.db2.gz	NJZGVPTWOKXOAQ-INIZCTEOSA-N	1	0	356.470	1.995	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccnc(OC(F)F)c2)c1C#N	ZINC001182253203	961659975	/nfs/dbraw/zinc/65/99/75/961659975.db2.gz	WBYSRJTVGDQXJG-UHFFFAOYSA-N	1	0	350.329	1.682	20	30		FDEDRO
C[C@@H](CCCC#N)[N@H+]1CCc2ncc(CNC(=O)c3nccn3C)n2CC1	ZINC001172498472	961687532	/nfs/dbraw/zinc/68/75/32/961687532.db2.gz	LJOLLAXCWOOZRH-HNNXBMFYSA-N	1	0	369.473	1.487	20	30		FDEDRO
C#CCN(C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1	ZINC000774169809	961797809	/nfs/dbraw/zinc/79/78/09/961797809.db2.gz	UCUXWHPFQZYRRY-IRXDYDNUSA-N	1	0	369.531	1.330	20	30		FDEDRO
CC(=O)N(C)[C@H]1CC[N@@H+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1	ZINC001172990580	961853451	/nfs/dbraw/zinc/85/34/51/961853451.db2.gz	PKXKRTIJJQOKAQ-JYJNAYRXSA-N	1	0	350.463	1.831	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2COCCC23OCCO3)C[C@H]1C#N	ZINC001172969006	961854808	/nfs/dbraw/zinc/85/48/08/961854808.db2.gz	RRRAVONPOJJYPE-ILXRZTDVSA-N	1	0	367.446	1.400	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCCN2CCOCC2)C[C@H]1C#N	ZINC001172969512	961856570	/nfs/dbraw/zinc/85/65/70/961856570.db2.gz	YBWLMDFVRHZUKO-CVEARBPZSA-N	1	0	352.479	1.590	20	30		FDEDRO
CC(=O)N1CC[C@@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1	ZINC001172977730	961860676	/nfs/dbraw/zinc/86/06/76/961860676.db2.gz	IVGGKRLHYZVKFT-JYJNAYRXSA-N	1	0	350.463	1.736	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](N3CCOCC3)C2)C[C@H]1C#N	ZINC001172984120	961866756	/nfs/dbraw/zinc/86/67/56/961866756.db2.gz	IWIPIOKZQBRFEU-ZACQAIPSSA-N	1	0	364.490	1.685	20	30		FDEDRO
C=CCOC1CCC(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)CC1	ZINC001173320663	962001381	/nfs/dbraw/zinc/00/13/81/962001381.db2.gz	CBFZWLAEWNFCKF-UHFFFAOYSA-N	1	0	373.545	1.960	20	30		FDEDRO
C=CCOC1CCC([N@@H+]2CCOC[C@]3(CN(C(C)=O)CCO3)C2)CC1	ZINC001173320906	962003831	/nfs/dbraw/zinc/00/38/31/962003831.db2.gz	UFCVRVJRSDLKIS-ACBHZAAOSA-N	1	0	352.475	1.450	20	30		FDEDRO
C=CCOC1CCC([NH2+][C@@H](Cc2ccccc2)C(=O)NCC(N)=O)CC1	ZINC001173319282	962017365	/nfs/dbraw/zinc/01/73/65/962017365.db2.gz	CUJGLQIKMBFVKB-ABHNRTSZSA-N	1	0	359.470	1.303	20	30		FDEDRO
C=CCN1CCC[C@@H]([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1=O	ZINC001173428559	962143679	/nfs/dbraw/zinc/14/36/79/962143679.db2.gz	QVVCNOAQDVBKHT-LJQANCHMSA-N	1	0	366.465	1.929	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH+]3CC(N4CC[C@H](F)C4)C3)CC2)cc1	ZINC001173433728	962154684	/nfs/dbraw/zinc/15/46/84/962154684.db2.gz	VJXIVGYDAXNOHM-KRWDZBQOSA-N	1	0	356.445	1.891	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)c2ccccc2)C1	ZINC001182669835	962380540	/nfs/dbraw/zinc/38/05/40/962380540.db2.gz	BYNAYUAZYQJVOR-QRQLOZEOSA-N	1	0	371.481	1.821	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccncc2)C1	ZINC001182676313	962384689	/nfs/dbraw/zinc/38/46/89/962384689.db2.gz	GPKLTEFRLNWQNA-CEXWTWQISA-N	1	0	368.481	1.576	20	30		FDEDRO
COCC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2cccnc2)C[C@H]1C	ZINC001182685167	962433357	/nfs/dbraw/zinc/43/33/57/962433357.db2.gz	RPPVDIYXYXKVTL-WQZMEWCLSA-N	1	0	355.482	1.909	20	30		FDEDRO
CCS(=O)(=O)N(C1CCC(C)(C#N)CC1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12	ZINC001173594507	962471037	/nfs/dbraw/zinc/47/10/37/962471037.db2.gz	GJJMWVWQVJSREB-XMOBOOAESA-N	1	0	369.531	1.878	20	30		FDEDRO
COc1ccc(C#N)cc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C2	ZINC001095241228	962525859	/nfs/dbraw/zinc/52/58/59/962525859.db2.gz	XRSACBJEGRXJQU-YDZRNGNQSA-N	1	0	368.481	1.883	20	30		FDEDRO
C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1[C@H]1CCC[C@H](n2ncnn2)C1	ZINC001173763396	962652762	/nfs/dbraw/zinc/65/27/62/962652762.db2.gz	RCVRJIROZCUPGC-YQQAZPJKSA-N	1	0	357.462	1.692	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1	ZINC000957519567	1013362189	/nfs/dbraw/zinc/36/21/89/1013362189.db2.gz	MDPSNADAOKOXAR-ATZDWAIDSA-N	1	0	353.466	1.268	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CCc2[nH]nc(C(=O)N3CCC[C@@H]3C)c2C1	ZINC001183043743	962756230	/nfs/dbraw/zinc/75/62/30/962756230.db2.gz	XVUZGFSSMCZPIR-HNNXBMFYSA-N	1	0	371.485	1.571	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)n[nH]1)C2	ZINC001110332529	962995795	/nfs/dbraw/zinc/99/57/95/962995795.db2.gz	OPCRMMATHTZUNL-LHHMISFZSA-N	1	0	373.501	1.866	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCN1CCCC1=O	ZINC001175351259	963159930	/nfs/dbraw/zinc/15/99/30/963159930.db2.gz	VDKKUNAKWLFKMA-ZACQAIPSSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=O)N(C)CC1CC1	ZINC001175357259	963163826	/nfs/dbraw/zinc/16/38/26/963163826.db2.gz	FXBFGUUTPYOLPZ-NXHRZFHOSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@]1(C)COCCN1C(=O)OC(C)(C)C	ZINC001183637987	963178455	/nfs/dbraw/zinc/17/84/55/963178455.db2.gz	NROZGKOMGFIJNT-KXBFYZLASA-N	1	0	367.490	1.779	20	30		FDEDRO
CC[N@H+](CCc1ccccn1)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000774662713	963228084	/nfs/dbraw/zinc/22/80/84/963228084.db2.gz	CRCZKDZEDQAPKY-LJQANCHMSA-N	1	0	357.502	1.638	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1ncnn1C	ZINC001175628319	963242806	/nfs/dbraw/zinc/24/28/06/963242806.db2.gz	AZDABKSXQWDUBR-BQFCYCMXSA-N	1	0	363.506	1.951	20	30		FDEDRO
C=CCOc1ccc(/C=C/C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cc1OC	ZINC000773527773	963301348	/nfs/dbraw/zinc/30/13/48/963301348.db2.gz	FVZJZQGVMBOAAZ-JHTBKMLMSA-N	1	0	371.481	1.779	20	30		FDEDRO
CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CN(c2cccc(C#N)c2)C(=O)O1	ZINC001184379788	963565238	/nfs/dbraw/zinc/56/52/38/963565238.db2.gz	ZSLHHPHBQOJCAD-QGZVFWFLSA-N	1	0	356.426	1.684	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC)C1	ZINC001111558744	963592698	/nfs/dbraw/zinc/59/26/98/963592698.db2.gz	AEJFRDLAPLDMLD-BXWFABGCSA-N	1	0	351.491	1.417	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1C[C@@H](CO)[C@H](CCO)C1	ZINC001176959248	963618585	/nfs/dbraw/zinc/61/85/85/963618585.db2.gz	KYEKBRGCWQVDAW-OAGGEKHMSA-N	1	0	363.433	1.384	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)NCc1cc(C#N)ccc1F)c1ccccc1	ZINC000774778743	963710416	/nfs/dbraw/zinc/71/04/16/963710416.db2.gz	FAJIEOPNBDXHJN-GOSISDBHSA-N	1	0	368.412	1.733	20	30		FDEDRO
CCC[N@H+]1C[C@H]2CN(C(=O)CN(CCC#N)C(=O)OC(C)(C)C)C[C@H]2C1	ZINC001184856146	963740228	/nfs/dbraw/zinc/74/02/28/963740228.db2.gz	NHHCNXHOZKWOEJ-IYBDPMFKSA-N	1	0	364.490	1.937	20	30		FDEDRO
C[N@@H+]1CCC[C@H](CCNC(=O)CN(CCC#N)C(=O)OC(C)(C)C)C1	ZINC001184861706	963742163	/nfs/dbraw/zinc/74/21/63/963742163.db2.gz	NYSIJGGSACGCBK-OAHLLOKOSA-N	1	0	352.479	1.985	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CCC[NH2+][C@H]1CCNC1=O)CC1CCCC1	ZINC001177423651	963825203	/nfs/dbraw/zinc/82/52/03/963825203.db2.gz	HSOMZPPSKFLFSA-SQNIBIBYSA-N	1	0	363.502	1.465	20	30		FDEDRO
N#CCNC(=O)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@H]1C1CC1	ZINC001177437185	963843682	/nfs/dbraw/zinc/84/36/82/963843682.db2.gz	OORCLJVJKWYDBZ-ZWKOTPCHSA-N	1	0	360.502	1.671	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(CCC[NH2+]CC(N)=O)CC1CCCC1	ZINC001177441077	963846058	/nfs/dbraw/zinc/84/60/58/963846058.db2.gz	ZFGDMHPCJYGVGV-HKUYNNGSSA-N	1	0	365.518	1.842	20	30		FDEDRO
N#Cc1cccnc1NCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1	ZINC001177506339	963856976	/nfs/dbraw/zinc/85/69/76/963856976.db2.gz	KRHKIBJSWWWZKT-UHFFFAOYSA-N	1	0	365.846	1.456	20	30		FDEDRO
C#CCCN1CC(O)(CN(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001177529110	963867178	/nfs/dbraw/zinc/86/71/78/963867178.db2.gz	FVURIMWAQFVOGG-UYAOXDASSA-N	1	0	369.509	1.425	20	30		FDEDRO
C=CCOCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCOCCOC)C2	ZINC001111686132	963905675	/nfs/dbraw/zinc/90/56/75/963905675.db2.gz	OIJQSDSEMOHJQF-HKUYNNGSSA-N	1	0	354.491	1.603	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1	ZINC001185567227	963981030	/nfs/dbraw/zinc/98/10/30/963981030.db2.gz	JZFIQUCOTREACX-MGPQQGTHSA-N	1	0	361.392	1.008	20	30		FDEDRO
CCC[NH+]1CCC(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C#N)CC1	ZINC001185974173	964243481	/nfs/dbraw/zinc/24/34/81/964243481.db2.gz	KHKDIGUOEKXLFC-UHFFFAOYSA-N	1	0	366.443	1.961	20	30		FDEDRO
C#CCC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@]34CCC[C@H]3OCC4)C2)nn1	ZINC001185975497	964245008	/nfs/dbraw/zinc/24/50/08/964245008.db2.gz	YBNULJFIZVLOSK-GGPKGHCWSA-N	1	0	371.485	1.514	20	30		FDEDRO
CC(C)(C)C[C@@H]1C[C@H]1C(=O)NCCCCCC[NH2+]CC(=O)NCC#N	ZINC001178513520	964265051	/nfs/dbraw/zinc/26/50/51/964265051.db2.gz	RMEYXQXLIVPESR-JKSUJKDBSA-N	1	0	350.507	1.965	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)CN2CC[C@@H](O)C2)[C@H]2CC[C@H]([NH3+])CC2)cc1	ZINC001186058055	964287030	/nfs/dbraw/zinc/28/70/30/964287030.db2.gz	PONLVVWSIDPSCA-GUDVDZBRSA-N	1	0	356.470	1.223	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1OCC[C@H]1C(C)C	ZINC001178502668	964291576	/nfs/dbraw/zinc/29/15/76/964291576.db2.gz	WRNYXZONEJCRHR-WMZOPIPTSA-N	1	0	351.491	1.063	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CCc2cn[nH]n2)C1	ZINC001186196526	964344926	/nfs/dbraw/zinc/34/49/26/964344926.db2.gz	LLRWLBCWGKMZMH-VQIMIIECSA-N	1	0	369.444	1.732	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCNC(=O)NC(C)(C)C)C1	ZINC001186243263	964370899	/nfs/dbraw/zinc/37/08/99/964370899.db2.gz	BFPNLAGCLGJAGP-PMPSAXMXSA-N	1	0	366.506	1.256	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(C)(C)CC)C1	ZINC001186243815	964371741	/nfs/dbraw/zinc/37/17/41/964371741.db2.gz	WJCXAIJOWLICNS-VYDXJSESSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CCCC2)C1	ZINC001186214117	964379482	/nfs/dbraw/zinc/37/94/82/964379482.db2.gz	ROZDQOXLGHIPPF-AOIWGVFYSA-N	1	0	363.502	1.607	20	30		FDEDRO
C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccncc2)CC12CCOCC2	ZINC001186373776	964481783	/nfs/dbraw/zinc/48/17/83/964481783.db2.gz	NOLSOTUCLBTWQE-GBESFXJTSA-N	1	0	353.466	1.663	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)[C@]23C[C@H]2COC3)CC12CCOCC2	ZINC001186381114	964486595	/nfs/dbraw/zinc/48/65/95/964486595.db2.gz	GJIYCXIWBNNZEO-MPGHIAIKSA-N	1	0	354.878	1.620	20	30		FDEDRO
C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC12CCOCC2	ZINC001186494033	964521905	/nfs/dbraw/zinc/52/19/05/964521905.db2.gz	IEVKICSQTYRUDP-BBWFWOEESA-N	1	0	363.502	1.132	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)[C@H]1C	ZINC001178978045	964566360	/nfs/dbraw/zinc/56/63/60/964566360.db2.gz	IIJVVRSMVJTADS-NBYUQASBSA-N	1	0	367.493	1.899	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C#C)cc2)C[C@H]1C	ZINC000957569362	1013505275	/nfs/dbraw/zinc/50/52/75/1013505275.db2.gz	BAUZHXZQSMSOMA-AHRSYUTCSA-N	1	0	363.461	1.342	20	30		FDEDRO
C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)[C@H]1C	ZINC001178990320	964600778	/nfs/dbraw/zinc/60/07/78/964600778.db2.gz	RQVXFGMZVIABGU-FQUUOJAGSA-N	1	0	350.381	1.878	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@]12CCC[C@H]1OCC2	ZINC001179004470	964615889	/nfs/dbraw/zinc/61/58/89/964615889.db2.gz	TYZSGUSJTQWGMM-HLIPFELVSA-N	1	0	363.502	1.350	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@@H](CC)c1ccccc1OCC(=O)N1CCCC1	ZINC000775049183	964752599	/nfs/dbraw/zinc/75/25/99/964752599.db2.gz	AJKKFTRXUXSJJX-WMZOPIPTSA-N	1	0	371.481	1.866	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COc1ccccc1C	ZINC001110384910	964781398	/nfs/dbraw/zinc/78/13/98/964781398.db2.gz	CWBDVRSEDLOHFY-HCXYKTFWSA-N	1	0	374.481	1.659	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@H](C)C(=O)N(CC)CC(=C)C	ZINC001110384943	964781951	/nfs/dbraw/zinc/78/19/51/964781951.db2.gz	FSKYCEWIDTXOFT-TVFCKZIOSA-N	1	0	363.502	1.724	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2nnc(C3CC3)n2C)C1	ZINC000962320859	1013529832	/nfs/dbraw/zinc/52/98/32/1013529832.db2.gz	DAMFMEBVRHPSKF-GDVJOBBMSA-N	1	0	359.474	1.268	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)Nc2cc(C)no2)[C@@H]1C	ZINC001179565972	964901579	/nfs/dbraw/zinc/90/15/79/964901579.db2.gz	SFGVLQRENIUEQC-XGUBFFRZSA-N	1	0	362.430	1.092	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2nn(C)cc2Cl)C1	ZINC000962324305	1013534927	/nfs/dbraw/zinc/53/49/27/1013534927.db2.gz	PXFXKODRXILVRC-CULRUXPZSA-N	1	0	352.866	1.649	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CCO[C@H]1C=C	ZINC001179637912	964941739	/nfs/dbraw/zinc/94/17/39/964941739.db2.gz	DWDXNXBRCNUULG-ZACQAIPSSA-N	1	0	351.491	1.534	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2noc3c2COCC3)C1	ZINC000962327760	1013539513	/nfs/dbraw/zinc/53/95/13/1013539513.db2.gz	FPMCASUJWIBKTB-GROLMSMHSA-N	1	0	361.442	1.323	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C(=O)NC)cc1	ZINC001110391612	965088599	/nfs/dbraw/zinc/08/85/99/965088599.db2.gz	WFIQQGULHKZIPW-KURKYZTESA-N	1	0	357.454	1.470	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)c3cc(F)ccc3F)C[C@H]21	ZINC001187280672	965161567	/nfs/dbraw/zinc/16/15/67/965161567.db2.gz	OWYNTEUBFBQTPH-MORSLUCNSA-N	1	0	366.408	1.734	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](Cc3ccccc3)OC)C[C@H]21	ZINC001187320260	965242646	/nfs/dbraw/zinc/24/26/46/965242646.db2.gz	OCXZENDHHDHHAA-XUVXKRRUSA-N	1	0	358.482	1.979	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[NH+]2CCC(C(N)=O)CC2)c2cccnc12	ZINC001180611523	965443770	/nfs/dbraw/zinc/44/37/70/965443770.db2.gz	CEEYDFHKZNRIJN-UHFFFAOYSA-N	1	0	351.410	1.632	20	30		FDEDRO
CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1	ZINC001187546402	965487391	/nfs/dbraw/zinc/48/73/91/965487391.db2.gz	JFJZRFIFENBKPG-GRDNDAEWSA-N	1	0	357.458	1.290	20	30		FDEDRO
CC(C)COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1	ZINC001187546376	965487546	/nfs/dbraw/zinc/48/75/46/965487546.db2.gz	ILRNPCSBFWLVQI-YXJHDRRASA-N	1	0	360.458	1.066	20	30		FDEDRO
CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1	ZINC001187569536	965533849	/nfs/dbraw/zinc/53/38/49/965533849.db2.gz	QHHKYBJTJGXIOG-JKIFEVAISA-N	1	0	357.458	1.288	20	30		FDEDRO
CC(C)[N@H+](CCO)CC1CCN(c2ccc([N+](=O)[O-])c(N)c2C#N)CC1	ZINC001187686459	965625441	/nfs/dbraw/zinc/62/54/41/965625441.db2.gz	OEQVVEMBRBHDIA-UHFFFAOYSA-N	1	0	361.446	1.968	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc4c(c3)nnn4C)C[C@H]21	ZINC001187755448	965716867	/nfs/dbraw/zinc/71/68/67/965716867.db2.gz	LUEGFSUFVUQPLF-CVAIRZPRSA-N	1	0	369.469	1.328	20	30		FDEDRO
C[C@H](C(=O)NCc1ccco1)N1C[C@@H]2CCN(C(=O)C#CC(C)(C)C)[C@@H]2C1	ZINC001187856906	965795926	/nfs/dbraw/zinc/79/59/26/965795926.db2.gz	FIQLRXOAXQULDN-SOLBZPMBSA-N	1	0	371.481	1.867	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@@H+](CCOc3ccc(C)cc3)C[C@H]21	ZINC001187858179	965799339	/nfs/dbraw/zinc/79/93/39/965799339.db2.gz	ZEWPSMBRIKTKGS-AZUAARDMSA-N	1	0	356.466	1.946	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cn(CCOC)nc3C)[C@@H]2C1	ZINC001187904182	965846607	/nfs/dbraw/zinc/84/66/07/965846607.db2.gz	RLOUWNCRUBVSCP-FUHWJXTLSA-N	1	0	362.474	1.187	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C(=O)NC)cc3)C[C@H]21	ZINC001187882965	965885255	/nfs/dbraw/zinc/88/52/55/965885255.db2.gz	YSSOGGGKXRYSDG-ZYSHUDEJSA-N	1	0	369.465	1.117	20	30		FDEDRO
C=CCCOCCCCC(=O)N1CC[C@H]2C[N@@H+](CCOCCOC)C[C@H]21	ZINC001187919544	965903668	/nfs/dbraw/zinc/90/36/68/965903668.db2.gz	KMZAQKVMVZDNSA-RBUKOAKNSA-N	1	0	368.518	1.945	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCOCC(F)F)C[C@H]21	ZINC001187951724	965926988	/nfs/dbraw/zinc/92/69/88/965926988.db2.gz	IWBIQUBFAXTLAK-JJXSEGSLSA-N	1	0	358.429	1.782	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1	ZINC001187953596	965927970	/nfs/dbraw/zinc/92/79/70/965927970.db2.gz	JIXOFSYIPAGCFA-VHDGCEQUSA-N	1	0	361.392	1.008	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C)c(NC(C)=O)c3)[C@@H]2C1	ZINC001187991523	965948155	/nfs/dbraw/zinc/94/81/55/965948155.db2.gz	QWJTXDYTEXELKI-AZUAARDMSA-N	1	0	369.465	1.750	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)[C@@H]2C1	ZINC001187991923	965948813	/nfs/dbraw/zinc/94/88/13/965948813.db2.gz	YVZZPUVGZSDNFM-IXDOHACOSA-N	1	0	371.547	1.593	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn4c3cccc4OC)[C@@H]2C1	ZINC001188074808	965993559	/nfs/dbraw/zinc/99/35/59/965993559.db2.gz	MKWQORWPAPWEKI-MAUKXSAKSA-N	1	0	368.437	1.139	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)[C@@H]2C1	ZINC001188094882	966004543	/nfs/dbraw/zinc/00/45/43/966004543.db2.gz	CLYUWKGLSKSSNX-YESZJQIVSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1	ZINC001188205689	966123111	/nfs/dbraw/zinc/12/31/11/966123111.db2.gz	RMGJLSXNAZDSKE-RCCFBDPRSA-N	1	0	362.518	1.084	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3ccsc3)[C@@H]2C1	ZINC001188205712	966124022	/nfs/dbraw/zinc/12/40/22/966124022.db2.gz	UKDQVMHRYJQSJJ-BHYGNILZSA-N	1	0	361.511	1.904	20	30		FDEDRO
COc1ccnc(C(N)=NC(=O)c2ccc(C3CC[NH+](C)CC3)cc2)n1	ZINC001188320736	966196813	/nfs/dbraw/zinc/19/68/13/966196813.db2.gz	MZELCXJTAMLIMR-UHFFFAOYSA-N	1	0	353.426	1.840	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1	ZINC001188323627	966202219	/nfs/dbraw/zinc/20/22/19/966202219.db2.gz	XRNOORZXLIXHGL-RCCFBDPRSA-N	1	0	362.518	1.060	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3ncn4ccc(C)cc34)[C@@H]2C1	ZINC001188395743	966261889	/nfs/dbraw/zinc/26/18/89/966261889.db2.gz	FAAGDDMFVOCMAB-FUHWJXTLSA-N	1	0	354.454	1.992	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(C)cc3)[C@@H]2C1	ZINC001188476313	966347815	/nfs/dbraw/zinc/34/78/15/966347815.db2.gz	KDNZSLHDAYYVTG-YTQUADARSA-N	1	0	353.466	1.208	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CCC)S(N)(=O)=O)[C@@H]2C1	ZINC001188663702	966465130	/nfs/dbraw/zinc/46/51/30/966465130.db2.gz	AXQIVBRJNZHRDP-BBWFWOEESA-N	1	0	371.547	1.723	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)nc1	ZINC000964506207	1013654611	/nfs/dbraw/zinc/65/46/11/1013654611.db2.gz	HIDAIOCQSKJRBL-KBAYOESNSA-N	1	0	368.481	1.514	20	30		FDEDRO
CCO[C@H](C(=O)N1CC[C@H]2C[N@H+](CC#CCOC)C[C@H]21)C1CCOCC1	ZINC001188715424	966531144	/nfs/dbraw/zinc/53/11/44/966531144.db2.gz	QKHFVSKWWJRBNP-OTWHNJEPSA-N	1	0	364.486	1.001	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC(=O)Nc4ccccc43)[C@@H]2C1	ZINC001188723909	966536218	/nfs/dbraw/zinc/53/62/18/966536218.db2.gz	IFMYVVPMDAAUNV-VDZJLULYSA-N	1	0	369.465	1.848	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(CC(=O)NCC4CC4)C[C@H]32)cc1	ZINC001188744004	966552629	/nfs/dbraw/zinc/55/26/29/966552629.db2.gz	IABCWFRNXXUASY-RBUKOAKNSA-N	1	0	351.450	1.340	20	30		FDEDRO
C[C@@H](CC(N)=O)C(=O)N1CC[C@H]2CN(CC#Cc3ccc(F)cc3)C[C@H]21	ZINC001188793831	966556485	/nfs/dbraw/zinc/55/64/85/966556485.db2.gz	LNTHCMNPJMBPRD-QILLFSRXSA-N	1	0	357.429	1.221	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@H+](Cc3cc(=O)n4nccc4[nH]3)C[C@H]21	ZINC001188909109	966649248	/nfs/dbraw/zinc/64/92/48/966649248.db2.gz	NJFRKJQQDGPNOA-HLLBOEOZSA-N	1	0	369.469	1.658	20	30		FDEDRO
C=CCCCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(c4cnn(C)c4)C3=O)C[C@H]21	ZINC001189007191	966696677	/nfs/dbraw/zinc/69/66/77/966696677.db2.gz	PMZCIOGECDCYSQ-RYQLBKOJSA-N	1	0	371.485	1.414	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cn(C)c4ccccc34)[C@@H]2C1	ZINC001188979486	966706747	/nfs/dbraw/zinc/70/67/47/966706747.db2.gz	OHZVHBAVQOSWNW-LAUBAEHRSA-N	1	0	365.477	1.903	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)c3ccc(Cl)[nH]3)[C@@H]2C1	ZINC001189067895	966730745	/nfs/dbraw/zinc/73/07/45/966730745.db2.gz	BQZLHTOPZWBCTG-SGMGOOAPSA-N	1	0	350.850	1.505	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3CN(CC(=O)N(CC)C4CC4)C[C@H]32)c1	ZINC001189076599	966751199	/nfs/dbraw/zinc/75/11/99/966751199.db2.gz	DVLZAWGDZOEWDA-QFBILLFUSA-N	1	0	366.465	1.220	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(OC)c3)[C@@H]2C1	ZINC001189375596	966927362	/nfs/dbraw/zinc/92/73/62/966927362.db2.gz	PFNSVAKRYYDQPI-MJUUVYJYSA-N	1	0	368.477	1.981	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3NC(=O)c4ccccc43)[C@@H]2C1	ZINC001189498156	967013498	/nfs/dbraw/zinc/01/34/98/967013498.db2.gz	NFCXLXSNTKGFOL-KFKAGJAMSA-N	1	0	367.449	1.044	20	30		FDEDRO
N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CC[C@H](Cn2ccnn2)C1	ZINC000852314622	967211817	/nfs/dbraw/zinc/21/18/17/967211817.db2.gz	IXZUESBTBROUPO-HOCLYGCPSA-N	1	0	373.420	1.837	20	30		FDEDRO
N#Cc1ccc(CNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)nc1	ZINC000852338860	967234613	/nfs/dbraw/zinc/23/46/13/967234613.db2.gz	AIAQLAGWTUKQQT-UHFFFAOYSA-N	1	0	357.458	1.643	20	30		FDEDRO
CO[C@]1(CO)CCC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1	ZINC000852410301	967281548	/nfs/dbraw/zinc/28/15/48/967281548.db2.gz	AFORSHFIGBIMHL-MGPUTAFESA-N	1	0	366.421	1.697	20	30		FDEDRO
C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H](CC)CC(F)(F)F)[C@@H]2C1	ZINC001189828719	967287020	/nfs/dbraw/zinc/28/70/20/967287020.db2.gz	DTDOWULQGFRZQJ-HZSPNIEDSA-N	1	0	359.392	1.247	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CCCO[C@@H]4CCOC4)C[C@H]32)nc1	ZINC001189843360	967342654	/nfs/dbraw/zinc/34/26/54/967342654.db2.gz	GUWZXBFKXRCDPE-NLWGTHIKSA-N	1	0	369.465	1.405	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]32)cn1	ZINC001189850958	967351597	/nfs/dbraw/zinc/35/15/97/967351597.db2.gz	CRLOAQPJGDXOAH-NUEKZKHPSA-N	1	0	367.371	1.523	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)n1	ZINC000852469927	967353626	/nfs/dbraw/zinc/35/36/26/967353626.db2.gz	YHOHLHHUZVYRPD-INIZCTEOSA-N	1	0	361.490	1.547	20	30		FDEDRO
CN(C)c1ncc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cn1	ZINC001189855818	967360044	/nfs/dbraw/zinc/36/00/44/967360044.db2.gz	AGWAJZGCBYVLCV-UHFFFAOYSA-N	1	0	364.453	1.831	20	30		FDEDRO
CC(C)(C)OC(=O)[C@]12COC[C@H]1C[N@H+](C[C@H](O)c1ccc(C#N)cc1)C2	ZINC000852486844	967366967	/nfs/dbraw/zinc/36/69/67/967366967.db2.gz	FCGXKWNBFUAXSW-FUHIMQAGSA-N	1	0	358.438	1.882	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)NCC=C)C[C@H]21	ZINC001189942472	967444671	/nfs/dbraw/zinc/44/46/71/967444671.db2.gz	RAVJSZNNBLPKMO-FFZOFVMBSA-N	1	0	365.477	1.434	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H]2CCNC(=O)CC2)CCC1	ZINC001110652808	967465046	/nfs/dbraw/zinc/46/50/46/967465046.db2.gz	VVBMGSLKWAIEJJ-MLHJIOFPSA-N	1	0	357.498	1.818	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)n1	ZINC000852637653	967488997	/nfs/dbraw/zinc/48/89/97/967488997.db2.gz	DYFNSNLZIZOFRX-GOSISDBHSA-N	1	0	359.474	1.301	20	30		FDEDRO
C#C[C@H](NC(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1)C1CCOCC1	ZINC000852646712	967497670	/nfs/dbraw/zinc/49/76/70/967497670.db2.gz	SABPHAGVSVIMED-KRWDZBQOSA-N	1	0	358.442	1.350	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CNC(=O)Cc3ccccc3)[C@@H]2C1	ZINC001190059507	967522660	/nfs/dbraw/zinc/52/26/60/967522660.db2.gz	VPZGJRMKBXNUAH-RBUKOAKNSA-N	1	0	371.481	1.081	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(C)c(C)c3)[C@@H]2C1	ZINC001190059606	967524091	/nfs/dbraw/zinc/52/40/91/967524091.db2.gz	WPUZYFQBQURIEC-YSIASYRMSA-N	1	0	367.493	1.517	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(c3)nnn4CC)[C@@H]2C1	ZINC001190116622	967575833	/nfs/dbraw/zinc/57/58/33/967575833.db2.gz	ZVKDIBHQOWKSEC-QFBILLFUSA-N	1	0	369.469	1.800	20	30		FDEDRO
CCN(CC)C(=O)COc1cccc(NC(=O)C#CC2CC[NH2+]CC2)c1	ZINC000852809960	967623271	/nfs/dbraw/zinc/62/32/71/967623271.db2.gz	HNLQWQXPPXPRCA-UHFFFAOYSA-N	1	0	357.454	1.875	20	30		FDEDRO
C=CC[C@]1(C(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)CCC[NH2+]1	ZINC000852809352	967623277	/nfs/dbraw/zinc/62/32/77/967623277.db2.gz	DGONOMJMFDFEGI-HUUCEWRRSA-N	1	0	360.380	1.375	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCC(C(=O)NCc2ccc(F)cc2)CC1	ZINC000852813693	967626177	/nfs/dbraw/zinc/62/61/77/967626177.db2.gz	NMYXMPZKENQHTP-UHFFFAOYSA-N	1	0	371.456	1.684	20	30		FDEDRO
CC(C)OCCCNC(=O)C1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1	ZINC000852813494	967626346	/nfs/dbraw/zinc/62/63/46/967626346.db2.gz	FRQGTXXDXMMUDC-UHFFFAOYSA-N	1	0	363.502	1.159	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NC1CCN(C(=O)CCc2ccccc2)CC1	ZINC000852817023	967629803	/nfs/dbraw/zinc/62/98/03/967629803.db2.gz	MSMKSRNIVURQRE-UHFFFAOYSA-N	1	0	367.493	1.729	20	30		FDEDRO
C[C@H](NC(=O)C#CC1CC[NH2+]CC1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000852818479	967630780	/nfs/dbraw/zinc/63/07/80/967630780.db2.gz	JHRNZHDSRIHEQY-AWEZNQCLSA-N	1	0	363.483	1.117	20	30		FDEDRO
NC(=O)[C@@H](NC(=O)C#CC1CC[NH2+]CC1)c1cccc(Br)c1	ZINC000852822556	967633432	/nfs/dbraw/zinc/63/34/32/967633432.db2.gz	CXHMLJXFRJCQJT-HNNXBMFYSA-N	1	0	364.243	1.095	20	30		FDEDRO
COc1ccc(F)cc1CN1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1	ZINC000852855604	967660805	/nfs/dbraw/zinc/66/08/05/967660805.db2.gz	KEFZVYLKTVIICT-UHFFFAOYSA-N	1	0	359.445	1.482	20	30		FDEDRO
C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)C#CC1CC[NH2+]CC1	ZINC000852865593	967670636	/nfs/dbraw/zinc/67/06/36/967670636.db2.gz	IWVMODRVSIJIAB-IBGZPJMESA-N	1	0	369.509	1.739	20	30		FDEDRO
N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1	ZINC000852875609	967681466	/nfs/dbraw/zinc/68/14/66/967681466.db2.gz	KYFTWCLZDCHNAJ-ZRJCITRHSA-N	1	0	365.231	1.149	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1C[C@@H]2CCN(C(=O)[C@H](C)CCOC)[C@@H]2C1	ZINC001190241243	967689281	/nfs/dbraw/zinc/68/92/81/967689281.db2.gz	UAEYFYZLMHELBZ-FGTMMUONSA-N	1	0	363.502	1.392	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CC(C)(c3nnc(C4CCOCC4)o3)C2)CCC[NH2+]1	ZINC000852937807	967720105	/nfs/dbraw/zinc/72/01/05/967720105.db2.gz	DFJVNSZHLVWMGJ-LJQANCHMSA-N	1	0	360.458	1.762	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCCOc3cccnc3)[C@@H]2C1	ZINC001190282604	967735700	/nfs/dbraw/zinc/73/57/00/967735700.db2.gz	UBKXPRMCPBGEKP-PKOBYXMFSA-N	1	0	357.454	1.423	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3ccc(C)o3)[C@@H]2C1	ZINC001190324257	967751471	/nfs/dbraw/zinc/75/14/71/967751471.db2.gz	JKKPWMISYUCUHW-XYJFISCASA-N	1	0	359.470	1.744	20	30		FDEDRO
CCO[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC#CCOC)C[C@H]21)c1ccccc1	ZINC001190466668	967890872	/nfs/dbraw/zinc/89/08/72/967890872.db2.gz	AVQSAUDFYFFHFO-XUVXKRRUSA-N	1	0	356.466	1.947	20	30		FDEDRO
N#Cc1ccc(C(=O)N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)nc1	ZINC001190590134	967971621	/nfs/dbraw/zinc/97/16/21/967971621.db2.gz	QMONBTJZWJXFAY-WDYCEAGBSA-N	1	0	363.421	1.762	20	30		FDEDRO
COCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C#N)ccc1F	ZINC001190631670	967995735	/nfs/dbraw/zinc/99/57/35/967995735.db2.gz	XUJJOUQXMDYKPV-UHFFFAOYSA-N	1	0	355.435	1.429	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)nc1	ZINC000853385136	967996762	/nfs/dbraw/zinc/99/67/62/967996762.db2.gz	YWSJWPSXYXUDGU-QGZVFWFLSA-N	1	0	372.473	1.261	20	30		FDEDRO
C=CCC1(S(=O)(=O)N2CCC3(CCC[N@H+]3CC(=O)NC)CC2)CC1	ZINC001190783180	968087975	/nfs/dbraw/zinc/08/79/75/968087975.db2.gz	FGDIKVUWKPPBAV-UHFFFAOYSA-N	1	0	355.504	1.101	20	30		FDEDRO
C[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccncc3)cc2C#N)CC1	ZINC001190888055	968160163	/nfs/dbraw/zinc/16/01/63/968160163.db2.gz	RAZJJQVQGZNEDK-UHFFFAOYSA-N	1	0	357.439	1.506	20	30		FDEDRO
Cn1c(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)c[nH]c1=O	ZINC001191003014	968227152	/nfs/dbraw/zinc/22/71/52/968227152.db2.gz	XIGHXTIWXPSEOR-WKILWMFISA-N	1	0	353.426	1.910	20	30		FDEDRO
C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1	ZINC000853849491	968368540	/nfs/dbraw/zinc/36/85/40/968368540.db2.gz	VQJSYXFLTGTYFE-MRXNPFEDSA-N	1	0	351.491	1.951	20	30		FDEDRO
C#C[C@H](NC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)[C@@H]1CCCO1	ZINC000854002991	968519315	/nfs/dbraw/zinc/51/93/15/968519315.db2.gz	DYFYFMVYXQLHIK-FHWLQOOXSA-N	1	0	357.454	1.233	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sc3nccn3c1C)C2	ZINC001110676628	968558585	/nfs/dbraw/zinc/55/85/85/968558585.db2.gz	JMXSIBRWVAPDKO-KFWWJZLASA-N	1	0	358.467	1.689	20	30		FDEDRO
N#Cc1cc(C(=O)N(c2ncccc2F)[C@H]2CO[C@]3(CC[NH2+]C3)C2)ccn1	ZINC001191548403	968605369	/nfs/dbraw/zinc/60/53/69/968605369.db2.gz	JLDPVBWWBZDCGH-DNVCBOLYSA-N	1	0	367.384	1.655	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(CC(C)C)CCNC1=O)C2	ZINC001110687288	968915461	/nfs/dbraw/zinc/91/54/61/968915461.db2.gz	HASQOZKPXRYMHQ-WWNBULGVSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@H]1O	ZINC001192054349	968931559	/nfs/dbraw/zinc/93/15/59/968931559.db2.gz	QUAOKVHURSTOGU-FGTMMUONSA-N	1	0	354.491	1.072	20	30		FDEDRO
COc1cc(C#N)ccc1C(=O)N(Cc1ccccc1)C1(C[NH3+])COC1	ZINC001192268816	969031991	/nfs/dbraw/zinc/03/19/91/969031991.db2.gz	SFCFBRBXIMHIBA-UHFFFAOYSA-N	1	0	351.406	1.937	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(CC)cc2)C[C@H]1O	ZINC001192320831	969060917	/nfs/dbraw/zinc/06/09/17/969060917.db2.gz	MRWKLSHLHSFUOY-VAMGGRTRSA-N	1	0	358.482	1.637	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@H+](CCOCc2ccc(OC)cc2)C[C@H]1O	ZINC001192518146	969150265	/nfs/dbraw/zinc/15/02/65/969150265.db2.gz	OKECPKPGCRVXHI-RTBURBONSA-N	1	0	360.454	1.177	20	30		FDEDRO
N#Cc1ccc(C(=O)N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)o1	ZINC001192675382	969226077	/nfs/dbraw/zinc/22/60/77/969226077.db2.gz	KPNLDQIXOZCNMD-JOQOYGCGSA-N	1	0	352.394	1.960	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1C[N@H+](CC[C@@H](C)OCc2ccccc2)C[C@H]1O	ZINC001192760929	969273143	/nfs/dbraw/zinc/27/31/43/969273143.db2.gz	ADPQDBHCIZJSBC-MISYRCLQSA-N	1	0	358.482	1.803	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1C[N@H+](CCn2cc(-c3ccccc3)cn2)C[C@H]1O	ZINC001192752505	969297662	/nfs/dbraw/zinc/29/76/62/969297662.db2.gz	ZSFJESIGBLAXSF-WOJBJXKFSA-N	1	0	366.465	1.371	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCO[C@@H]2CCOC2)[nH]1	ZINC001110450235	969304688	/nfs/dbraw/zinc/30/46/88/969304688.db2.gz	YKKXNQWJHGWAHK-AHCXZYCDSA-N	1	0	358.442	1.417	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1C[N@@H+](CCn2ccc3cc(Cl)ccc32)C[C@H]1O	ZINC001192820992	969315288	/nfs/dbraw/zinc/31/52/88/969315288.db2.gz	FQSMRLGAMIBKFS-IEBWSBKVSA-N	1	0	371.868	1.869	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1C[N@@H+](CCCOc2ccc(Cl)cc2)C[C@H]1O	ZINC001192826132	969318348	/nfs/dbraw/zinc/31/83/48/969318348.db2.gz	BFRZNWCOLLQESL-QZTJIDSGSA-N	1	0	362.857	1.684	20	30		FDEDRO
N#Cc1ccncc1C(=O)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1	ZINC001192967421	969407256	/nfs/dbraw/zinc/40/72/56/969407256.db2.gz	DWOIIKZNHFUVRB-IFXJQAMLSA-N	1	0	367.384	1.655	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1CN([C@@H](C)C(=O)NC2CCCC2)C[C@H]1O	ZINC001193240951	969569641	/nfs/dbraw/zinc/56/96/41/969569641.db2.gz	NLZOMHYGCKVXNE-BMGDILEWSA-N	1	0	363.502	1.363	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@H+](CCOCCC(C)C)C[C@H]1O)OCC	ZINC001193420908	969695373	/nfs/dbraw/zinc/69/53/73/969695373.db2.gz	AJPSIEUIPQZFFZ-KZNAEPCWSA-N	1	0	356.507	1.582	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1O)OCC	ZINC001193422268	969697565	/nfs/dbraw/zinc/69/75/65/969697565.db2.gz	NVSPDAMKIMJQMC-QRVBRYPASA-N	1	0	368.518	1.726	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C)c3)C[C@H]2O)CCOCC1	ZINC001193629624	969776374	/nfs/dbraw/zinc/77/63/74/969776374.db2.gz	RIBZWLCRRNYPLX-RTBURBONSA-N	1	0	356.466	1.476	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](C[C@H](Cc3ccccc3)OC)C[C@H]2O)CCC1	ZINC001193691790	969815948	/nfs/dbraw/zinc/81/59/48/969815948.db2.gz	VZBXCOCFHKIIKU-XUVXKRRUSA-N	1	0	370.493	1.599	20	30		FDEDRO
CC[N@@H+](Cc1ccc(C#N)cc1)CC1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1	ZINC000957753482	1013913002	/nfs/dbraw/zinc/91/30/02/1013913002.db2.gz	RKPUHQIHLBXIIT-MOPGFXCFSA-N	1	0	368.481	1.740	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCc2cc(C)no2)C1	ZINC001194045613	969972001	/nfs/dbraw/zinc/97/20/01/969972001.db2.gz	AJRJPNVBWVCDBU-IAGOWNOFSA-N	1	0	353.463	1.631	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)N(C)CCO3)C1	ZINC001194062895	969980843	/nfs/dbraw/zinc/98/08/43/969980843.db2.gz	CLIZQHXQNVKKFX-YXJHDRRASA-N	1	0	359.470	1.645	20	30		FDEDRO
N#Cc1cncc(C(=O)N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)c1	ZINC001194104975	970020242	/nfs/dbraw/zinc/02/02/42/970020242.db2.gz	LKXMMEGMNYGJKB-BHYGNILZSA-N	1	0	364.409	1.015	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(n2)OCCO3)C1	ZINC001194408278	970161546	/nfs/dbraw/zinc/16/15/46/970161546.db2.gz	JMICIAOOYHSMCQ-HZPDHXFCSA-N	1	0	363.458	1.598	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)C1	ZINC001194492836	970217034	/nfs/dbraw/zinc/21/70/34/970217034.db2.gz	LNWZHSUNKVNKHJ-HUUCEWRRSA-N	1	0	351.834	1.406	20	30		FDEDRO
C[NH+](C)CCn1ccc(C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)n1	ZINC000855298869	970278268	/nfs/dbraw/zinc/27/82/68/970278268.db2.gz	FCCLSJZIRJSQNQ-LJQANCHMSA-N	1	0	352.442	1.537	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C2)CC1	ZINC000855331143	970291735	/nfs/dbraw/zinc/29/17/35/970291735.db2.gz	ORKNCWNYNUNBMT-KGLIPLIRSA-N	1	0	360.376	1.532	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nnc3ccccc3n2)C1	ZINC001194737122	970342848	/nfs/dbraw/zinc/34/28/48/970342848.db2.gz	LAOCQLKHMYZPHE-IAGOWNOFSA-N	1	0	355.442	1.546	20	30		FDEDRO
COC(=O)N1CCC([C@@H](C)[NH2+]CC(=O)NCc2ccc(C#N)cc2)CC1	ZINC000776811770	970370106	/nfs/dbraw/zinc/37/01/06/970370106.db2.gz	VUJRPJNEGZRDMM-CQSZACIVSA-N	1	0	358.442	1.631	20	30		FDEDRO
COC(=O)N1CCC([C@H](C)[NH2+]CC(=O)NCc2cccc(C#N)c2)CC1	ZINC000776812166	970382769	/nfs/dbraw/zinc/38/27/69/970382769.db2.gz	QSRYQQRZGCSCCC-AWEZNQCLSA-N	1	0	358.442	1.631	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(-c3ncc[nH]3)n2)C1	ZINC001194840761	970462835	/nfs/dbraw/zinc/46/28/35/970462835.db2.gz	NQHBOSXEGKZVSZ-YRGRVCCFSA-N	1	0	361.471	1.663	20	30		FDEDRO
C[NH+](C)CC[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C#N)C1	ZINC001194848698	970501887	/nfs/dbraw/zinc/50/18/87/970501887.db2.gz	CPGCFGFANJFMRD-LBPRGKRZSA-N	1	0	352.416	1.429	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1O	ZINC001195020136	970647016	/nfs/dbraw/zinc/64/70/16/970647016.db2.gz	GNLRECDQSIEUGT-QWFCFKBJSA-N	1	0	368.518	1.583	20	30		FDEDRO
CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC(=O)N(CC)C[C@H](C)C#N)C1	ZINC000776827234	970656343	/nfs/dbraw/zinc/65/63/43/970656343.db2.gz	STVFRUDXUJRYTA-OAGGEKHMSA-N	1	0	352.479	1.841	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1cccc(C)c1	ZINC001110465498	970660471	/nfs/dbraw/zinc/66/04/71/970660471.db2.gz	GHTMBVSAIISDHB-AITUJVMLSA-N	1	0	353.466	1.917	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@@H]1CCCC1(F)F	ZINC001110465629	970661410	/nfs/dbraw/zinc/66/14/10/970661410.db2.gz	LXUCOPQTWWHDMX-JJXSEGSLSA-N	1	0	367.440	1.673	20	30		FDEDRO
COCc1noc(CO[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)n1	ZINC000776837654	970689655	/nfs/dbraw/zinc/68/96/55/970689655.db2.gz	RBBHBGADTJRRHA-UHFFFAOYSA-N	1	0	361.402	1.014	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3ccnc3)nc2)C1	ZINC001195158375	970741251	/nfs/dbraw/zinc/74/12/51/970741251.db2.gz	VNMZHPKDFKQLBK-QZTJIDSGSA-N	1	0	369.469	1.789	20	30		FDEDRO
CC(C)(C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O)C(F)(F)F	ZINC001197983926	972654792	/nfs/dbraw/zinc/65/47/92/972654792.db2.gz	ITZRZHOEOCYDHU-ZIAGYGMSSA-N	1	0	355.360	1.808	20	30		FDEDRO
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C=NNc1cc[nH+]cc1C	ZINC000863156840	972686413	/nfs/dbraw/zinc/68/64/13/972686413.db2.gz	CYOYSIJFQYNCQW-GFCCVEGCSA-N	1	0	367.862	1.776	20	30		FDEDRO
C=CCn1cc(CNC(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)nn1	ZINC000645037123	1014048534	/nfs/dbraw/zinc/04/85/34/1014048534.db2.gz	BTEYQUDFYAUGSE-GOSISDBHSA-N	1	0	354.458	1.880	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc2nonc2c1	ZINC001110502940	972772959	/nfs/dbraw/zinc/77/29/59/972772959.db2.gz	XHUCVTWCJZVZMB-UEILYKACSA-N	1	0	356.426	1.771	20	30		FDEDRO
CCC1([NH+]2CCOCC2)CCN(Cn2cc3c(c(C#N)c2=O)CCC3)CC1	ZINC000863328560	972811878	/nfs/dbraw/zinc/81/18/78/972811878.db2.gz	YANZCWYMOZPVOE-UHFFFAOYSA-N	1	0	370.497	1.743	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCS(=O)(=O)Cc1ccccc1	ZINC000863551803	973008776	/nfs/dbraw/zinc/00/87/76/973008776.db2.gz	RGPHLCZGDRVEQA-SFHVURJKSA-N	1	0	374.462	1.503	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1	ZINC000863551817	973008941	/nfs/dbraw/zinc/00/89/41/973008941.db2.gz	IDCAVXGHKVKLPM-LBPRGKRZSA-N	1	0	369.409	1.192	20	30		FDEDRO
COC(=O)Cc1ccccc1C[NH2+]C[C@H](O)COc1ccccc1C#N	ZINC000863563065	973017853	/nfs/dbraw/zinc/01/78/53/973017853.db2.gz	NWPMNEUAIJNFSK-SFHVURJKSA-N	1	0	354.406	1.803	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H](CO)C[C@@H](O)c1ccccc1	ZINC000863563212	973017947	/nfs/dbraw/zinc/01/79/47/973017947.db2.gz	OTOXFCGAPLIOIQ-GUDVDZBRSA-N	1	0	356.422	1.372	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]Cc2ccc(N3CCCNC3=O)cc2)CCOCC1	ZINC000863562980	973018307	/nfs/dbraw/zinc/01/83/07/973018307.db2.gz	MIRPSZMBVJAWNQ-SFHVURJKSA-N	1	0	372.469	1.767	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)CCOCC1	ZINC000863564610	973019333	/nfs/dbraw/zinc/01/93/33/973019333.db2.gz	YTFFXLKOJUYQOA-WFASDCNBSA-N	1	0	358.360	1.798	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(OC)c(OCC)c2)C1	ZINC001198466251	973133012	/nfs/dbraw/zinc/13/30/12/973133012.db2.gz	KSXMKHKJZAFDKO-HZPDHXFCSA-N	1	0	364.442	1.071	20	30		FDEDRO
COC(=O)[C@]12C[N@H+](Cn3ccc(-c4ccc(C#N)cc4)n3)C[C@H]1COCC2	ZINC000794679019	973531261	/nfs/dbraw/zinc/53/12/61/973531261.db2.gz	MKVDPSKQJUDVKX-FXAWDEMLSA-N	1	0	366.421	1.891	20	30		FDEDRO
CC[N@H+](C)[C@H]1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC001198883966	973654954	/nfs/dbraw/zinc/65/49/54/973654954.db2.gz	WGIQCMFOIOCMDB-KRWDZBQOSA-N	1	0	352.442	1.708	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c(C)c(C)sc2=O)C1	ZINC001199071545	973891655	/nfs/dbraw/zinc/89/16/55/973891655.db2.gz	YWWGJGAYXIEZFT-HZPDHXFCSA-N	1	0	367.515	1.434	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)[C@]3(C#N)CCCOC3)cn2)CC1	ZINC000864895304	973930437	/nfs/dbraw/zinc/93/04/37/973930437.db2.gz	JKPKKPPSKWLRJG-IBGZPJMESA-N	1	0	357.458	1.160	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CC[C@@H]1CC[C@H](C(N)=O)O1	ZINC000864909839	973940329	/nfs/dbraw/zinc/94/03/29/973940329.db2.gz	CJBCGZPTHZZVCY-ZWKOTPCHSA-N	1	0	372.469	1.262	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc3ccccc3n2C)C1	ZINC001199225918	974041184	/nfs/dbraw/zinc/04/11/84/974041184.db2.gz	CLCQMZPKVUQSCA-IEBWSBKVSA-N	1	0	357.454	1.085	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COc2cc(F)cc(F)c2)C1	ZINC001199240003	974058451	/nfs/dbraw/zinc/05/84/51/974058451.db2.gz	PNIADSLBLXOWNW-JCURWCKSSA-N	1	0	354.397	1.860	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(CC)cc2)C[C@H]1O	ZINC001199293060	974133759	/nfs/dbraw/zinc/13/37/59/974133759.db2.gz	ZYJSQKFOYPKVBZ-CEXWTWQISA-N	1	0	362.470	1.036	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)Cc2ccc(F)cc2)C1	ZINC001199385719	974234453	/nfs/dbraw/zinc/23/44/53/974234453.db2.gz	XKJRVATVDHPPEI-ZTFGCOKTSA-N	1	0	350.434	1.368	20	30		FDEDRO
C=CCn1c(SCC(=O)NC2CC[NH+](C)CC2)nnc1-c1cccnc1	ZINC000865348767	974250605	/nfs/dbraw/zinc/25/06/05/974250605.db2.gz	BTOZQVGKAHFZRE-UHFFFAOYSA-N	1	0	372.498	1.829	20	30		FDEDRO
CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@H+](CC2(C#N)CC2)C1	ZINC000775961120	974273580	/nfs/dbraw/zinc/27/35/80/974273580.db2.gz	JURLQIFFDICVPI-AWEZNQCLSA-N	1	0	350.463	1.643	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+][C@H]1CCC[C@@H]1CNS(C)(=O)=O	ZINC000865556173	974358962	/nfs/dbraw/zinc/35/89/62/974358962.db2.gz	RHFNZBCFFCVVCH-ZBFHGGJFSA-N	1	0	350.488	1.432	20	30		FDEDRO
N#Cc1cnc(C(=O)N(c2ncccc2F)[C@H]2CO[C@]3(CC[NH2+]C3)C2)cn1	ZINC001199664704	974449849	/nfs/dbraw/zinc/44/98/49/974449849.db2.gz	MGCNXCSIIASNHG-FZKQIMNGSA-N	1	0	368.372	1.050	20	30		FDEDRO
N#Cc1cnc(C(=O)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cn1	ZINC001199664392	974449938	/nfs/dbraw/zinc/44/99/38/974449938.db2.gz	DPYZEAYGCSAAHE-DOTOQJQBSA-N	1	0	367.384	1.465	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C[C@H]2C1	ZINC001199680780	974460656	/nfs/dbraw/zinc/46/06/56/974460656.db2.gz	IXOGHHYWZTVGCL-HIFRSBDPSA-N	1	0	373.457	1.557	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cnnn1-c1ccccc1	ZINC001110540423	974462005	/nfs/dbraw/zinc/46/20/05/974462005.db2.gz	RESLKUHRMSBGDG-RLLQIKCJSA-N	1	0	361.449	1.902	20	30		FDEDRO
Cc1ccccc1CNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2	ZINC001110541224	974468944	/nfs/dbraw/zinc/46/89/44/974468944.db2.gz	AKDJFGMJFMUVSM-AQNXPRMDSA-N	1	0	365.477	1.746	20	30		FDEDRO
C=CC[NH+](CC=C)CCN1CCN(C(=S)N[C@@H](C)C(=O)OCC)CC1	ZINC001199839044	974530616	/nfs/dbraw/zinc/53/06/16/974530616.db2.gz	FFSYCJSNSXKJDD-INIZCTEOSA-N	1	0	368.547	1.104	20	30		FDEDRO
C=CCNC(=S)N[C@@H]1CCc2c(ccc(=O)n2CC[NH+]2CCCC2)C1	ZINC001200296506	974745927	/nfs/dbraw/zinc/74/59/27/974745927.db2.gz	CUWUVLMZODPZBY-MRXNPFEDSA-N	1	0	360.527	1.452	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOc1ccccc1OC	ZINC001110552455	974757410	/nfs/dbraw/zinc/75/74/10/974757410.db2.gz	ZZDQSJGSPGDSAI-TVFCKZIOSA-N	1	0	372.465	1.834	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCc1ccccc1	ZINC001110552412	974757885	/nfs/dbraw/zinc/75/78/85/974757885.db2.gz	YDAFRBPKOZOKPW-NBYUQASBSA-N	1	0	356.466	1.963	20	30		FDEDRO
N#Cc1ccc(N2CCCN(C(=S)NCC[NH+]3CCCCC3)CC2)nc1	ZINC001200426775	974783281	/nfs/dbraw/zinc/78/32/81/974783281.db2.gz	TVYGDZOXJFVCDE-UHFFFAOYSA-N	1	0	372.542	1.826	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1	ZINC000867358198	974790338	/nfs/dbraw/zinc/79/03/38/974790338.db2.gz	WVQPQHPCUBYJCS-MOPGFXCFSA-N	1	0	368.481	1.849	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)CCCO1	ZINC001200528156	974807391	/nfs/dbraw/zinc/80/73/91/974807391.db2.gz	GALNFRZOURMILV-KZNAEPCWSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@H]1CN(C(=O)[C@]23C[C@H]2COC3)CCCO1	ZINC001200548372	974817131	/nfs/dbraw/zinc/81/71/31/974817131.db2.gz	UGYRHQOPJUEGRU-YDHLFZDLSA-N	1	0	359.264	1.139	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CCCO1	ZINC001200787598	974906544	/nfs/dbraw/zinc/90/65/44/974906544.db2.gz	UVWUQRWPKPINNL-GUDVDZBRSA-N	1	0	367.534	1.659	20	30		FDEDRO
CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@]23CCOc2ccccc23)CCCO1	ZINC001200965476	974938256	/nfs/dbraw/zinc/93/82/56/974938256.db2.gz	DTRSXILKNBIFDG-JLMWRMLUSA-N	1	0	368.477	1.957	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc(OC(C)C)cn1)C2	ZINC001110563428	975024299	/nfs/dbraw/zinc/02/42/99/975024299.db2.gz	DURULBOZECLKCC-INMHGKMJSA-N	1	0	358.442	1.249	20	30		FDEDRO
C#C[C@H](NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO)[C@@H]1CCCO1	ZINC000776176591	975050995	/nfs/dbraw/zinc/05/09/95/975050995.db2.gz	MWJYCYJUBBSCJW-UFYCRDLUSA-N	1	0	371.481	1.623	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCO[C@H]2C(=C)C)CCCO1	ZINC001201612729	975098179	/nfs/dbraw/zinc/09/81/79/975098179.db2.gz	QQXOOBRKJZUSDE-QYZOEREBSA-N	1	0	366.502	1.767	20	30		FDEDRO
C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(O)CC[N@@H+](C)C1	ZINC000867418174	975209245	/nfs/dbraw/zinc/20/92/45/975209245.db2.gz	SQQDRFGZSQAHRS-MLGOLLRUSA-N	1	0	361.870	1.205	20	30		FDEDRO
CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H]2CCCN(O)C2=O)CC1	ZINC000866109040	975410046	/nfs/dbraw/zinc/41/00/46/975410046.db2.gz	YZKXKUBSRSIFJO-HNNXBMFYSA-N	1	0	361.446	1.330	20	30		FDEDRO
C#C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)C1	ZINC000847564313	975835020	/nfs/dbraw/zinc/83/50/20/975835020.db2.gz	WIWFTVNTLXDLLO-INIZCTEOSA-N	1	0	357.454	1.746	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CC[NH+](C(C)(C)CC)CC2)c1	ZINC000847574694	975852430	/nfs/dbraw/zinc/85/24/30/975852430.db2.gz	FDUIGCWWCOPGAV-UHFFFAOYSA-N	1	0	357.454	1.970	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)CCn1cccn1	ZINC000866645686	975865168	/nfs/dbraw/zinc/86/51/68/975865168.db2.gz	PAWFIALVYBPFLG-UHFFFAOYSA-N	1	0	361.471	1.148	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1	ZINC000866665979	975887786	/nfs/dbraw/zinc/88/77/86/975887786.db2.gz	JRLWOXCHHRKZOB-QYZOEREBSA-N	1	0	357.454	1.991	20	30		FDEDRO
CC[C@@H](C#N)Oc1cc(CNS(=O)(=O)CCC[NH+](C)C)ccc1OC	ZINC000866786137	976045518	/nfs/dbraw/zinc/04/55/18/976045518.db2.gz	NWVIOKBBBAKLNK-HNNXBMFYSA-N	1	0	369.487	1.747	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CNC1=O	ZINC001110595499	976210346	/nfs/dbraw/zinc/21/03/46/976210346.db2.gz	UAZHSTMGLMAYCM-OAGGEKHMSA-N	1	0	360.458	1.028	20	30		FDEDRO
C=CCOc1ccc(/C=C\C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1OC	ZINC000848307092	976590741	/nfs/dbraw/zinc/59/07/41/976590741.db2.gz	DILSQPXQHCOGJA-FWEDBPMCSA-N	1	0	358.438	1.551	20	30		FDEDRO
COC(=O)Cc1ccccc1C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1	ZINC000848677357	976993219	/nfs/dbraw/zinc/99/32/19/976993219.db2.gz	BYCDPXGFZFTSID-GOSISDBHSA-N	1	0	354.406	1.803	20	30		FDEDRO
COC(=O)c1ccc(CCNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)cc1	ZINC000867951289	977131187	/nfs/dbraw/zinc/13/11/87/977131187.db2.gz	GKHUIEURSNPJNN-LJQANCHMSA-N	1	0	363.417	1.891	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1	ZINC000867953316	977134256	/nfs/dbraw/zinc/13/42/56/977134256.db2.gz	SOTRCLROGAIKKQ-IEBWSBKVSA-N	1	0	366.465	1.652	20	30		FDEDRO
COC(=O)C1(CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CCCCC1	ZINC000867976050	977158223	/nfs/dbraw/zinc/15/82/23/977158223.db2.gz	DYGYEZYWCLVHSR-KRWDZBQOSA-N	1	0	355.438	1.985	20	30		FDEDRO
CCNC(NCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1)=[NH+]CC	ZINC000849002286	977287925	/nfs/dbraw/zinc/28/79/25/977287925.db2.gz	ZZAHUHVBVFSFAJ-IBGZPJMESA-N	1	0	357.458	1.987	20	30		FDEDRO
CN(C)C(NCc1ccccc1)=[NH+]CCCN1C(=O)NC2(CCCC2)C1=O	ZINC000849056743	977297078	/nfs/dbraw/zinc/29/70/78/977297078.db2.gz	JFEYPUZWZYBNBC-UHFFFAOYSA-N	1	0	371.485	1.949	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1ccc(OC(F)F)c(OC)c1	ZINC000849057161	977297213	/nfs/dbraw/zinc/29/72/13/977297213.db2.gz	BIRQKFBBKKKPPY-UHFFFAOYSA-N	1	0	372.416	1.294	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@@H](O)c1ccc(C(F)(F)F)cc1	ZINC000849077620	977305477	/nfs/dbraw/zinc/30/54/77/977305477.db2.gz	MBYGFYALSUTBHO-OAHLLOKOSA-N	1	0	374.407	1.236	20	30		FDEDRO
CCOc1ccc(C[C@@H](C)CNC(NCCN2CCOCC2)=[NH+]C)cc1	ZINC000849115928	977328507	/nfs/dbraw/zinc/32/85/07/977328507.db2.gz	DZNGCVRRYAXSQG-QGZVFWFLSA-N	1	0	362.518	1.761	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNS(=O)(=O)CC	ZINC001110609580	977347658	/nfs/dbraw/zinc/34/76/58/977347658.db2.gz	LZZQXDJRHSEQCG-OAGGEKHMSA-N	1	0	357.520	1.394	20	30		FDEDRO
N#Cc1cccc([C@@H](NC(=O)NCCN2CC[NH2+]CC2)C(F)(F)F)c1	ZINC000868211276	977348421	/nfs/dbraw/zinc/34/84/21/977348421.db2.gz	SXFYZAALZNGWAY-CQSZACIVSA-N	1	0	355.364	1.366	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)cc1	ZINC000108610716	977608551	/nfs/dbraw/zinc/60/85/51/977608551.db2.gz	CYNBIBUDYRIHPF-SFHVURJKSA-N	1	0	357.454	1.874	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](C(=O)N[C@]2(C#N)CCSC2)[C@@H](c2cnn(C)c2)C1	ZINC000849517622	977710560	/nfs/dbraw/zinc/71/05/60/977710560.db2.gz	MAIKHMTZWCGQDJ-JZXOWHBKSA-N	1	0	361.515	1.749	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@]2(C#N)CCSC2)[C@H](c2cnn(C)c2)C1	ZINC000849517624	977710976	/nfs/dbraw/zinc/71/09/76/977710976.db2.gz	MAIKHMTZWCGQDJ-XYJFISCASA-N	1	0	361.515	1.749	20	30		FDEDRO
Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N(CCC#N)CC(F)(F)F)cn1	ZINC000849550946	977732626	/nfs/dbraw/zinc/73/26/26/977732626.db2.gz	AFTBTJCDVOQYQR-KBPBESRZSA-N	1	0	357.380	1.760	20	30		FDEDRO
C=CCCn1cc(C[NH2+]CCN2CCN(C(=O)OC(C)(C)C)CC2)nn1	ZINC000850120044	978174366	/nfs/dbraw/zinc/17/43/66/978174366.db2.gz	URJCCBYLPIURBJ-UHFFFAOYSA-N	1	0	364.494	1.497	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(OCC(N)=O)c1)C2	ZINC001110622916	978500885	/nfs/dbraw/zinc/50/08/85/978500885.db2.gz	WQORBPNLYXVYQH-NXHRZFHOSA-N	1	0	357.454	1.852	20	30		FDEDRO
C[NH2+]C[C@H](C)NC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1	ZINC000850727682	978651443	/nfs/dbraw/zinc/65/14/43/978651443.db2.gz	UHRHQKXZPVXRTJ-PQXWDWFGSA-N	1	0	367.475	1.229	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000850730200	978653001	/nfs/dbraw/zinc/65/30/01/978653001.db2.gz	QUVXQCWKMKTGBG-MRXNPFEDSA-N	1	0	373.453	1.206	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCNC(=O)c1ccncc1)C2	ZINC001110624280	978662999	/nfs/dbraw/zinc/66/29/99/978662999.db2.gz	MFQFVLZMVDPVTD-KURKYZTESA-N	1	0	372.469	1.126	20	30		FDEDRO
N#C[C@H]1CN(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CCN1C1CC1	ZINC000850760302	978663411	/nfs/dbraw/zinc/66/34/11/978663411.db2.gz	XHMYYHIAXGUCSO-ZWKOTPCHSA-N	1	0	355.442	1.552	20	30		FDEDRO
C#CCOc1ccc(C(=O)NCCC[NH+]2CCC(C(=O)OC)CC2)cc1	ZINC000265939847	978823668	/nfs/dbraw/zinc/82/36/68/978823668.db2.gz	ITARNGDSCWSEHK-UHFFFAOYSA-N	1	0	358.438	1.704	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1	ZINC000851740819	979024207	/nfs/dbraw/zinc/02/42/07/979024207.db2.gz	ZGEAVEBPCHXCOS-INIZCTEOSA-N	1	0	365.474	1.084	20	30		FDEDRO
COc1cccc2c1CC[C@@]2(CO)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1	ZINC000880379992	979144636	/nfs/dbraw/zinc/14/46/36/979144636.db2.gz	KSRYPEVLINSTDG-IERDGZPVSA-N	1	0	368.433	1.730	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[NH+](CCCOC(C)(C)C)CC1	ZINC000880413271	979171692	/nfs/dbraw/zinc/17/16/92/979171692.db2.gz	IUEMYNKMCHHIOR-INIZCTEOSA-N	1	0	350.507	1.760	20	30		FDEDRO
CC[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)[C@@H]1CCCOC1	ZINC000880470171	979215154	/nfs/dbraw/zinc/21/51/54/979215154.db2.gz	NRFPVWXFQJTIJS-SQNIBIBYSA-N	1	0	350.507	1.474	20	30		FDEDRO
CC[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)[C@H]1CCCOC1	ZINC000880470168	979215188	/nfs/dbraw/zinc/21/51/88/979215188.db2.gz	NRFPVWXFQJTIJS-BZSNNMDCSA-N	1	0	350.507	1.474	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)cc1	ZINC000851974142	979234592	/nfs/dbraw/zinc/23/45/92/979234592.db2.gz	SUNPZSFNYXELBD-HKUYNNGSSA-N	1	0	370.453	1.661	20	30		FDEDRO
C#C[C@](C)(CC)[NH2+]CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000852101827	979351278	/nfs/dbraw/zinc/35/12/78/979351278.db2.gz	USZIMXQPROOZQP-AZUAARDMSA-N	1	0	356.445	1.926	20	30		FDEDRO
C#CCN1CCN(C(=O)CN2CCC([NH2+]Cc3ccccc3)CC2)CC1	ZINC000852115551	979360987	/nfs/dbraw/zinc/36/09/87/979360987.db2.gz	QEVHOEHUCGOFEU-UHFFFAOYSA-N	1	0	354.498	1.018	20	30		FDEDRO
O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)N[C@H]1CCCN(O)C1=O	ZINC000881129754	979702756	/nfs/dbraw/zinc/70/27/56/979702756.db2.gz	HJKMIWSHUMUCLM-IRXDYDNUSA-N	1	0	373.457	1.473	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2C#N)CCN1c1cc[nH+]cc1	ZINC000882621056	980761023	/nfs/dbraw/zinc/76/10/23/980761023.db2.gz	IJPWICYSRIAVCU-CYBMUJFWSA-N	1	0	360.414	1.992	20	30		FDEDRO
COCCOCc1cc(C#N)ccc1N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000882698779	981607925	/nfs/dbraw/zinc/60/79/25/981607925.db2.gz	MZRSJKNOWIJMQV-UHFFFAOYSA-N	1	0	372.513	1.937	20	30		FDEDRO
CCc1nnc(N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c(C#N)c1CC	ZINC000882816039	981709103	/nfs/dbraw/zinc/70/91/03/981709103.db2.gz	WZFDQDOPTNYCQX-UHFFFAOYSA-N	1	0	370.501	1.783	20	30		FDEDRO
C=CCC[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)[C@H]1CCCO1	ZINC000883203353	982012579	/nfs/dbraw/zinc/01/25/79/982012579.db2.gz	ZKKVIYYFEANTGH-YESZJQIVSA-N	1	0	360.520	1.578	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)NCc2ccccc2OCC[NH+](C)C)CC1	ZINC000883240384	982028247	/nfs/dbraw/zinc/02/82/47/982028247.db2.gz	RZHSEIBUENJXSY-UHFFFAOYSA-N	1	0	359.470	1.687	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N(CC[NH3+])CC(F)(F)F)c1	ZINC000883471892	982178408	/nfs/dbraw/zinc/17/84/08/982178408.db2.gz	DADPYJLHOBRIAG-UHFFFAOYSA-N	1	0	365.377	1.114	20	30		FDEDRO
C[C@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1	ZINC000131998656	982216029	/nfs/dbraw/zinc/21/60/29/982216029.db2.gz	NXKUQPVLEGBVFC-OAHLLOKOSA-N	1	0	371.485	1.916	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1	ZINC000883533501	982250673	/nfs/dbraw/zinc/25/06/73/982250673.db2.gz	PSMQBGWCDIDQBY-MSOLQXFVSA-N	1	0	363.502	1.314	20	30		FDEDRO
C#Cc1ccc(CNC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)cc1	ZINC000883671672	982367123	/nfs/dbraw/zinc/36/71/23/982367123.db2.gz	OAZIZGHXSQMJFP-HXUWFJFHSA-N	1	0	370.497	1.264	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1	ZINC000859024772	982464243	/nfs/dbraw/zinc/46/42/43/982464243.db2.gz	JMQJQDGXNZDFBP-SFHVURJKSA-N	1	0	364.534	1.615	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1	ZINC000859025477	982464938	/nfs/dbraw/zinc/46/49/38/982464938.db2.gz	RTRHMPANRMEDRR-KAKFPZCNSA-N	1	0	362.518	1.367	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c(C)nc[nH]c1=O)C2	ZINC001110765903	982556273	/nfs/dbraw/zinc/55/62/73/982556273.db2.gz	XCFJWFNWDZCNHA-OIISXLGYSA-N	1	0	360.458	1.347	20	30		FDEDRO
C#CC[C@H]1CCCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1	ZINC000883911865	982611709	/nfs/dbraw/zinc/61/17/09/982611709.db2.gz	BAEXCEDBSRNBLS-RBUKOAKNSA-N	1	0	362.518	1.228	20	30		FDEDRO
COC(=O)N1CCC([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2C#N)CC1	ZINC000859259576	982653221	/nfs/dbraw/zinc/65/32/21/982653221.db2.gz	MUFMKQOPRCZBOW-WMLDXEAASA-N	1	0	361.442	1.754	20	30		FDEDRO
COc1nn(C)cc1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000883972393	982676037	/nfs/dbraw/zinc/67/60/37/982676037.db2.gz	IIUOKALVUZHJMJ-UHFFFAOYSA-N	1	0	353.426	1.695	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C(N)=O)cc2)[nH]1	ZINC001095327640	982680017	/nfs/dbraw/zinc/68/00/17/982680017.db2.gz	XMBBHPXLNVQOCB-NJAFHUGGSA-N	1	0	363.421	1.521	20	30		FDEDRO
C#C[C@H](CCC)NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000890212792	982698383	/nfs/dbraw/zinc/69/83/83/982698383.db2.gz	BAVLWKNYENTSJX-VQIMIIECSA-N	1	0	368.481	1.828	20	30		FDEDRO
N#C[C@H]1CN(S(=O)(=O)NC2CC[NH+](CC3CCCCC3)CC2)CCO1	ZINC000800022055	982711862	/nfs/dbraw/zinc/71/18/62/982711862.db2.gz	HJTSSIHXUOVSLM-KRWDZBQOSA-N	1	0	370.519	1.090	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H](CN1CCCC1=O)c1ccccc1)C2	ZINC000884077232	982829526	/nfs/dbraw/zinc/82/95/26/982829526.db2.gz	FTJBRTAGBZHVIT-UISNHOIMSA-N	1	0	366.465	1.606	20	30		FDEDRO
COC(=O)[C@@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c2ccccc2O1	ZINC000884084086	982840417	/nfs/dbraw/zinc/84/04/17/982840417.db2.gz	HKQXIVYOKFTWGT-BKUHTVRMSA-N	1	0	355.394	1.093	20	30		FDEDRO
COC(=O)[C@@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c2ccccc2O1	ZINC000884084089	982841123	/nfs/dbraw/zinc/84/11/23/982841123.db2.gz	HKQXIVYOKFTWGT-VSELKDKVSA-N	1	0	355.394	1.093	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCCN(C(=O)c3ccsc3)CC1)C2	ZINC000884095815	982859933	/nfs/dbraw/zinc/85/99/33/982859933.db2.gz	AJAQHCSYNATXCD-WUJZJPHMSA-N	1	0	372.494	1.562	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NCc2cccc(CS(C)(=O)=O)c2)C1	ZINC000884109527	982880752	/nfs/dbraw/zinc/88/07/52/982880752.db2.gz	JGLYRMBREXXMRH-KRWDZBQOSA-N	1	0	363.483	1.128	20	30		FDEDRO
Cc1ccc(N2CCC[C@H](NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)C2=O)cc1	ZINC000884156893	982934002	/nfs/dbraw/zinc/93/40/02/982934002.db2.gz	OTVUNBTYGLPZKY-ZBZXYNRHSA-N	1	0	366.465	1.746	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)CC1	ZINC000884161294	982937471	/nfs/dbraw/zinc/93/74/71/982937471.db2.gz	BTUGFMVENLRZRM-JHDROBOHSA-N	1	0	351.491	1.909	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1	ZINC000884163544	982939995	/nfs/dbraw/zinc/93/99/95/982939995.db2.gz	JJUJAMRKWWZIKM-MRXNPFEDSA-N	1	0	350.507	1.268	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1	ZINC000884178544	982950938	/nfs/dbraw/zinc/95/09/38/982950938.db2.gz	OEQOCMJVVQQAQZ-KBPBESRZSA-N	1	0	351.472	1.448	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccccc1Cn1cncn1)C2	ZINC000884186856	982962752	/nfs/dbraw/zinc/96/27/52/982962752.db2.gz	LWHMEDCPHDGGNO-HFCFLWKCSA-N	1	0	350.426	1.082	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCC[C@@H]1C(=O)Nc1nccs1)C2	ZINC000884192782	982968973	/nfs/dbraw/zinc/96/89/73/982968973.db2.gz	NWWCATIFZVIPRX-XPFWZQFZSA-N	1	0	359.455	1.212	20	30		FDEDRO
Cn1c(CCNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)nc2ccc(F)cc21	ZINC000884217929	982993113	/nfs/dbraw/zinc/99/31/13/982993113.db2.gz	AIONWGLKUDLDRU-FWHMADFJSA-N	1	0	355.417	1.510	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCN(c3c(F)cccc3F)C1)C2	ZINC000884232422	983006976	/nfs/dbraw/zinc/00/69/76/983006976.db2.gz	QOSROMXSKHWUFL-IXVUQVCVSA-N	1	0	360.408	1.799	20	30		FDEDRO
C[C@@H](C(=O)N1CCOCC1)N1CCN(Cc2ccc(CC#N)cc2)CC1	ZINC000332560387	983075750	/nfs/dbraw/zinc/07/57/50/983075750.db2.gz	WCGXJMVQSYTFNU-KRWDZBQOSA-N	1	0	356.470	1.118	20	30		FDEDRO
COCC(=O)N1CCc2cc(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)ccc21	ZINC000884321917	983083517	/nfs/dbraw/zinc/08/35/17/983083517.db2.gz	BNLGGQAVEMFWDY-CHWWFWEZSA-N	1	0	368.437	1.300	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1	ZINC000884326156	983087335	/nfs/dbraw/zinc/08/73/35/983087335.db2.gz	LNEFCAKLLBAHND-ABAIWWIYSA-N	1	0	369.824	1.621	20	30		FDEDRO
CN(C(=O)[C@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1)c1ccccc1	ZINC000884335303	983094120	/nfs/dbraw/zinc/09/41/20/983094120.db2.gz	OYWAGTPBZHYYMW-DILDSAGESA-N	1	0	366.465	1.637	20	30		FDEDRO
CN1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)[C@@H](Cc2ccccc2)C1	ZINC000884386859	983132159	/nfs/dbraw/zinc/13/21/59/983132159.db2.gz	BKTUEHPZINVZFE-LSNYBQGISA-N	1	0	352.482	1.511	20	30		FDEDRO
N#Cc1ccc(C2(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CCOCC2)cc1	ZINC000884439336	983156226	/nfs/dbraw/zinc/15/62/26/983156226.db2.gz	BSXYRPJBDMRKTI-IPCDKGFNSA-N	1	0	364.449	1.820	20	30		FDEDRO
N#Cc1ccccc1CN1C(=O)CN(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)C1=O	ZINC000884483245	983185361	/nfs/dbraw/zinc/18/53/61/983185361.db2.gz	QJFICWVQTYDROL-ZWKOTPCHSA-N	1	0	368.437	1.781	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)c1ccc(C#N)cc1	ZINC000884541442	983233085	/nfs/dbraw/zinc/23/30/85/983233085.db2.gz	DYWIQWUXZPKYJH-KUHUBIRLSA-N	1	0	362.433	1.566	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)/C=C\c1ccc(S(C)(=O)=O)o1	ZINC000860610870	983457974	/nfs/dbraw/zinc/45/79/74/983457974.db2.gz	CCFISCAEXUDOGS-RBJHHQRMSA-N	1	0	353.440	1.973	20	30		FDEDRO
C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1	ZINC000861542108	983771489	/nfs/dbraw/zinc/77/14/89/983771489.db2.gz	LVVPITZDAGTFJM-JTQLQIEISA-N	1	0	360.805	1.141	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1ccccc1)C1CC1)C2	ZINC001110806448	983840862	/nfs/dbraw/zinc/84/08/62/983840862.db2.gz	QFCFOCQTBAIIKW-BNDYYXHWSA-N	1	0	365.477	1.651	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+](C)C1	ZINC000862031585	984066459	/nfs/dbraw/zinc/06/64/59/984066459.db2.gz	IIMYJUFUSFWUOD-CQSZACIVSA-N	1	0	361.417	1.624	20	30		FDEDRO
C#CCN(CC(=O)N1CCC([NH+]2CCOCC2)CC1)C(=O)OC(C)(C)C	ZINC000862211714	984251445	/nfs/dbraw/zinc/25/14/45/984251445.db2.gz	BGWIAJSIDHFMRF-UHFFFAOYSA-N	1	0	365.474	1.180	20	30		FDEDRO
C#CCCOc1ccc(C[N@H+]2CCCN(C(=O)CNC(C)=O)CC2)cc1	ZINC000862503862	984401846	/nfs/dbraw/zinc/40/18/46/984401846.db2.gz	IOJMFIVJEUYCBP-UHFFFAOYSA-N	1	0	357.454	1.259	20	30		FDEDRO
C=CCOC[C@H]([NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2)C(=O)[O-]	ZINC001588865731	984419610	/nfs/dbraw/zinc/41/96/10/984419610.db2.gz	CHIFVNHVMYWLLF-ZDUSSCGKSA-N	1	0	372.368	1.815	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1	ZINC000884967255	985016053	/nfs/dbraw/zinc/01/60/53/985016053.db2.gz	CYAGUPZENZBNDT-SFHVURJKSA-N	1	0	368.481	1.967	20	30		FDEDRO
C[C@H](CNS(=O)(=O)c1ccc(CCC#N)cc1)CN1CC[NH+](C)CC1	ZINC000885033764	985124105	/nfs/dbraw/zinc/12/41/05/985124105.db2.gz	ZXTJVVBWBHMAGI-MRXNPFEDSA-N	1	0	364.515	1.305	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2ccc(CCC#N)cc2)CC1	ZINC000885056705	985147432	/nfs/dbraw/zinc/14/74/32/985147432.db2.gz	FEYMDIPDWGPNGI-UHFFFAOYSA-N	1	0	365.499	1.656	20	30		FDEDRO
C=CC[C@H]1N(C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CCCC1(C)C	ZINC000885280657	985284958	/nfs/dbraw/zinc/28/49/58/985284958.db2.gz	RRFFBYGGOPJOEP-UONOGXRCSA-N	1	0	357.445	1.941	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1	ZINC000885860732	985709748	/nfs/dbraw/zinc/70/97/48/985709748.db2.gz	MAPNAKGJBHWDDY-GOSISDBHSA-N	1	0	373.501	1.716	20	30		FDEDRO
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1	ZINC000885880600	985743855	/nfs/dbraw/zinc/74/38/55/985743855.db2.gz	VAZJAYGGHALUQG-HNAYVOBHSA-N	1	0	365.474	1.618	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCCC2(O)CCN(c3ccccc3)CC2)CC1	ZINC000870429913	985999659	/nfs/dbraw/zinc/99/96/59/985999659.db2.gz	OYQGIVWWDFDCSO-UHFFFAOYSA-N	1	0	369.509	1.869	20	30		FDEDRO
C#CC[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)C1	ZINC000886355135	986095460	/nfs/dbraw/zinc/09/54/60/986095460.db2.gz	CLWHBGZBUYKMQQ-KRWDZBQOSA-N	1	0	354.454	1.708	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+][C@]1(CO)CCCN(C(=O)OC(C)(C)C)C1	ZINC000886430491	986211534	/nfs/dbraw/zinc/21/15/34/986211534.db2.gz	OHNBRYOWLBPKRJ-LJQANCHMSA-N	1	0	367.490	1.539	20	30		FDEDRO
C#CCN(C(=O)CC1(Cn2cnnn2)CCCCC1)C1CC[NH+](C)CC1	ZINC000886574856	986374467	/nfs/dbraw/zinc/37/44/67/986374467.db2.gz	WHSUFRGPSFSLIG-UHFFFAOYSA-N	1	0	358.490	1.570	20	30		FDEDRO
C#CCN(C(=O)c1nnn(Cc2ccc(F)cc2)c1C)C1CC[NH+](C)CC1	ZINC000886577631	986377295	/nfs/dbraw/zinc/37/72/95/986377295.db2.gz	QOYZWOCVXJFVKV-UHFFFAOYSA-N	1	0	369.444	1.944	20	30		FDEDRO
C#CCN(C(=O)c1cc(N2C[C@H](C)O[C@@H](C)C2)ccn1)C1CC[NH+](C)CC1	ZINC000886577447	986378635	/nfs/dbraw/zinc/37/86/35/986378635.db2.gz	ISRQCDKFKCKLSH-IRXDYDNUSA-N	1	0	370.497	1.865	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1	ZINC000871002495	986583546	/nfs/dbraw/zinc/58/35/46/986583546.db2.gz	RFCBWEQXRJYLDJ-OIISXLGYSA-N	1	0	357.410	1.259	20	30		FDEDRO
COCC[NH2+]C1CCN(S(=O)(=O)c2ccc(CCC#N)cc2)CC1	ZINC000886887646	986690937	/nfs/dbraw/zinc/69/09/37/986690937.db2.gz	ASRPGOKHQWLJBK-UHFFFAOYSA-N	1	0	351.472	1.532	20	30		FDEDRO
COC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCCOC1	ZINC000886907516	986725553	/nfs/dbraw/zinc/72/55/53/986725553.db2.gz	DLSGZFWMCPJXFG-DOTOQJQBSA-N	1	0	352.456	1.363	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)NC[C@H]1C[NH2+]CCC1(F)F	ZINC000886941457	986753104	/nfs/dbraw/zinc/75/31/04/986753104.db2.gz	FLMWJGSQGOZCAU-CYBMUJFWSA-N	1	0	368.384	1.950	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1	ZINC000871804479	987248661	/nfs/dbraw/zinc/24/86/61/987248661.db2.gz	BRZRKUPSMSRWHQ-BBWFWOEESA-N	1	0	363.483	1.916	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)NC1CCC(N2CC[NH2+]CC2)CC1	ZINC000871804786	987249233	/nfs/dbraw/zinc/24/92/33/987249233.db2.gz	HKQIVBMEXYDADI-UHFFFAOYSA-N	1	0	362.499	1.361	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)ccc1Cl	ZINC000871811365	987260241	/nfs/dbraw/zinc/26/02/41/987260241.db2.gz	VKNDPHLKPOCNRZ-CYBMUJFWSA-N	1	0	369.874	1.649	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1	ZINC000871812643	987263495	/nfs/dbraw/zinc/26/34/95/987263495.db2.gz	IYWBKBVFRRVODJ-JOYOIKCWSA-N	1	0	351.325	1.455	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1	ZINC000795189251	987296609	/nfs/dbraw/zinc/29/66/09/987296609.db2.gz	FQVBPXCEZYZQJC-YLJYHZDGSA-N	1	0	368.408	1.916	20	30		FDEDRO
CS(=O)(=O)c1ccc([C@@H](O)C[NH2+][C@H]2Cc3ccc(C#N)cc3C2)cc1	ZINC000872238850	987535815	/nfs/dbraw/zinc/53/58/15/987535815.db2.gz	LMNIWZRDJNUSEK-HKUYNNGSSA-N	1	0	356.447	1.752	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[N@@H+]1CCNC(=O)CC12CCOCC2	ZINC000872286932	987572537	/nfs/dbraw/zinc/57/25/37/987572537.db2.gz	RYFHPVPKDLONBO-UHFFFAOYSA-N	1	0	359.426	1.317	20	30		FDEDRO
COc1ccc(C=NNC(=S)NCCC[NH+](C)C)cc1Cn1cccn1	ZINC000872349761	987614877	/nfs/dbraw/zinc/61/48/77/987614877.db2.gz	FGJDWBNLOBWCAD-UHFFFAOYSA-N	1	0	374.514	1.690	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1cc(C(N)=O)nc(Cl)n1	ZINC000872481884	987706817	/nfs/dbraw/zinc/70/68/17/987706817.db2.gz	MJOPNANLGFODTC-UHFFFAOYSA-N	1	0	358.833	1.669	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CCN(CC[N@@H+]2CCCOCC2)CC1	ZINC000365629459	987930681	/nfs/dbraw/zinc/93/06/81/987930681.db2.gz	ZMGSSGGEJONCLB-UHFFFAOYSA-N	1	0	355.482	1.077	20	30		FDEDRO
CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)[NH+]1CCCCCC1	ZINC000292913584	987930821	/nfs/dbraw/zinc/93/08/21/987930821.db2.gz	AZPOSAKQPBAADV-INIZCTEOSA-N	1	0	357.458	1.909	20	30		FDEDRO
CN(CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O)[C@H]1CCC[C@@H]1C#N	ZINC000872684331	987968942	/nfs/dbraw/zinc/96/89/42/987968942.db2.gz	LZAYJRKOYCHGLR-YRXWBPOGSA-N	1	0	366.465	1.685	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(NC(=O)C(C)C)c1	ZINC000293220457	987994418	/nfs/dbraw/zinc/99/44/18/987994418.db2.gz	BQDNCMZFJPJDRC-UHFFFAOYSA-N	1	0	358.442	1.291	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(C)ccc1-n1cc(C)cn1	ZINC000293360273	988049158	/nfs/dbraw/zinc/04/91/58/988049158.db2.gz	LLIUHCQAWYMZSZ-UHFFFAOYSA-N	1	0	367.453	1.499	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1c(C)noc1-c1ccccc1	ZINC000293477956	988084482	/nfs/dbraw/zinc/08/44/82/988084482.db2.gz	VJZIVGXDTNLKCP-UHFFFAOYSA-N	1	0	354.410	1.660	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N2CCC[N@@H+](C3CCOCC3)CC2)cc1	ZINC000360960936	988228116	/nfs/dbraw/zinc/22/81/16/988228116.db2.gz	QSSCZOXMFJDJME-UHFFFAOYSA-N	1	0	370.453	1.001	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H](C(=O)OCC)[C@H](C(F)(F)F)C1	ZINC000873023872	988429240	/nfs/dbraw/zinc/42/92/40/988429240.db2.gz	AGNFGOOUJBXWFL-CHWSQXEVSA-N	1	0	363.380	1.325	20	30		FDEDRO
O=C(C#Cc1ccc2c(c1)OCO2)N1CCC[N@@H+](C2CCOCC2)CC1	ZINC000366140616	988460073	/nfs/dbraw/zinc/46/00/73/988460073.db2.gz	HMZAIOMYJRGCHT-UHFFFAOYSA-N	1	0	356.422	1.480	20	30		FDEDRO
CC1(C)NC(=O)N(CCCN2CCO[C@H](c3cccc(C#N)c3)C2)C1=O	ZINC000362070929	988573936	/nfs/dbraw/zinc/57/39/36/988573936.db2.gz	YULKNNCIFXAMHK-INIZCTEOSA-N	1	0	356.426	1.652	20	30		FDEDRO
C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCC(n3cnc(C#N)n3)CC2)C1	ZINC000366304188	988608249	/nfs/dbraw/zinc/60/82/49/988608249.db2.gz	RARVFUISAUXQEH-HZPDHXFCSA-N	1	0	373.505	1.864	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000295168675	988621983	/nfs/dbraw/zinc/62/19/83/988621983.db2.gz	AENXYVOPFZAYPN-UYAOXDASSA-N	1	0	355.482	1.443	20	30		FDEDRO
Cc1ccccc1CCNC(=O)[C@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000366343231	988633739	/nfs/dbraw/zinc/63/37/39/988633739.db2.gz	ZXKSYPJXIBXWAW-INIZCTEOSA-N	1	0	366.469	1.843	20	30		FDEDRO
COCCC[N@@H+]1CCCN(C(=O)COc2ccc(C#N)cc2OC)CC1	ZINC000363093735	988915456	/nfs/dbraw/zinc/91/54/56/988915456.db2.gz	JPMLSFWOANLUHX-UHFFFAOYSA-N	1	0	361.442	1.516	20	30		FDEDRO
C=CCN1CC[C@H](N2CCC[C@@H]([N@H+](C)[C@H]3CCN(CC=C)C3=O)CC2)C1=O	ZINC000367193244	988939931	/nfs/dbraw/zinc/93/99/31/988939931.db2.gz	FURQGWUQHGJCJT-QYZOEREBSA-N	1	0	374.529	1.347	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)c(OC)c1	ZINC000367452015	988952052	/nfs/dbraw/zinc/95/20/52/988952052.db2.gz	SQSIVDRIASFGNU-LLGFUMIMSA-N	1	0	374.481	1.810	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNC(=O)[C@@]2(C#N)CCc3ccccc3C2)CC1	ZINC000368586950	988999005	/nfs/dbraw/zinc/99/90/05/988999005.db2.gz	AMRGLERTZLGBMZ-UTKZUKDTSA-N	1	0	354.498	1.827	20	30		FDEDRO
CN1CC[NH+](CC2(C)CCN(CC(=O)N[C@@](C)(C#N)C3CC3)CC2)CC1	ZINC000368822342	989010794	/nfs/dbraw/zinc/01/07/94/989010794.db2.gz	FCAGCECROPJRNF-FQEVSTJZSA-N	1	0	361.534	1.144	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1C#N	ZINC000873698997	989013627	/nfs/dbraw/zinc/01/36/27/989013627.db2.gz	ZAUYTUDJYATZRS-UHFFFAOYSA-N	1	0	358.442	1.838	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2ncccc2C)C1	ZINC000363299805	989073030	/nfs/dbraw/zinc/07/30/30/989073030.db2.gz	TXNYDNOPDDWRIL-LSDHHAIUSA-N	1	0	373.457	1.441	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1C#N	ZINC000873735971	989089285	/nfs/dbraw/zinc/08/92/85/989089285.db2.gz	ZWUGTOUZKKTOJF-HNNXBMFYSA-N	1	0	370.453	1.840	20	30		FDEDRO
C[N@H+](CC1CCOCC1)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O	ZINC000124644409	989135780	/nfs/dbraw/zinc/13/57/80/989135780.db2.gz	MZAAWYDLYGNZKW-IBGZPJMESA-N	1	0	356.426	1.641	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccccc1C#N)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1	ZINC000363417491	989179754	/nfs/dbraw/zinc/17/97/54/989179754.db2.gz	IWIPHEIGVPEPPE-FUHWJXTLSA-N	1	0	355.486	1.597	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@@H](C)C#N)cc2F)CC1	ZINC000873788309	989191146	/nfs/dbraw/zinc/19/11/46/989191146.db2.gz	FNYHDFVQRWNZII-ZDUSSCGKSA-N	1	0	361.421	1.182	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c1C#N	ZINC000369802406	989192175	/nfs/dbraw/zinc/19/21/75/989192175.db2.gz	CLTGQNQXWIFXJO-QILLFSRXSA-N	1	0	352.438	1.748	20	30		FDEDRO
Cn1nnnc1N1CCC([NH2+]Cc2cccc(OCCCC#N)c2)CC1	ZINC000363488208	989240374	/nfs/dbraw/zinc/24/03/74/989240374.db2.gz	JYCQMQDUEOMSCC-UHFFFAOYSA-N	1	0	355.446	1.651	20	30		FDEDRO
C=CCN(C[C@H](O)CN1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000363512525	989259769	/nfs/dbraw/zinc/25/97/69/989259769.db2.gz	VPAIHYWXIFFPGQ-LEWJYISDSA-N	1	0	359.514	1.442	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)cc1C#N	ZINC000873853649	989328690	/nfs/dbraw/zinc/32/86/90/989328690.db2.gz	IFMMPCLRVMFMHA-UHFFFAOYSA-N	1	0	356.426	1.496	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCc1ccncc1OC[C@H]1CCOC1	ZINC000296672558	989356901	/nfs/dbraw/zinc/35/69/01/989356901.db2.gz	RLNFXXMSALGJJA-INIZCTEOSA-N	1	0	360.458	1.251	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCC(=O)NCc1ccc(C#N)cc1	ZINC000363713218	989403649	/nfs/dbraw/zinc/40/36/49/989403649.db2.gz	MHFWIEJPSRVXKJ-LSTHTHJFSA-N	1	0	370.497	1.653	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1C#N	ZINC000873938897	989489639	/nfs/dbraw/zinc/48/96/39/989489639.db2.gz	XHUSYNIICZQYIW-HOTGVXAUSA-N	1	0	356.426	1.638	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N(C)Cc1ccc(OCC(=O)OC)cc1	ZINC000297287264	989506854	/nfs/dbraw/zinc/50/68/54/989506854.db2.gz	GTLZSVNJYCDJHP-UHFFFAOYSA-N	1	0	361.442	1.335	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1	ZINC000364319842	989536107	/nfs/dbraw/zinc/53/61/07/989536107.db2.gz	PILIAGWIHLLITL-CXAGYDPISA-N	1	0	374.416	1.253	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCCNC(=O)[C@H]1Cc1ccccc1	ZINC000297589377	989572213	/nfs/dbraw/zinc/57/22/13/989572213.db2.gz	UWDNFBWHLSIGJV-GOSISDBHSA-N	1	0	356.470	1.084	20	30		FDEDRO
CCc1nnc(N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c(C#N)c1CC	ZINC000370449524	989756596	/nfs/dbraw/zinc/75/65/96/989756596.db2.gz	LUNXEEMTQALKGD-HNNXBMFYSA-N	1	0	358.490	1.291	20	30		FDEDRO
C[C@@H](C#N)CN(C)C(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000298045514	989860129	/nfs/dbraw/zinc/86/01/29/989860129.db2.gz	PMUMPJOYKOTNOU-IRXDYDNUSA-N	1	0	356.470	1.727	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)CC[C@@H]21	ZINC000874173281	989875585	/nfs/dbraw/zinc/87/55/85/989875585.db2.gz	NEZDKQXJXBOKCC-OCCSQVGLSA-N	1	0	358.446	1.001	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c(F)cc1C#N	ZINC000874173332	989876223	/nfs/dbraw/zinc/87/62/23/989876223.db2.gz	GAGBEEIKYMRDSP-XHDPSFHLSA-N	1	0	360.389	1.197	20	30		FDEDRO
CON=C(C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)c1csc(N)n1	ZINC000874249841	989984590	/nfs/dbraw/zinc/98/45/90/989984590.db2.gz	VUKLEIQHLHOGKG-FRRDWIJNSA-N	1	0	365.503	1.940	20	30		FDEDRO
CC1([NH+]2CCCCC2)CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)CC1	ZINC000874280470	990025263	/nfs/dbraw/zinc/02/52/63/990025263.db2.gz	CUVPWXNXEXJXBL-UHFFFAOYSA-N	1	0	355.442	1.759	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1	ZINC000298338358	990056991	/nfs/dbraw/zinc/05/69/91/990056991.db2.gz	QDPOEQRLIRSAIC-OAQYLSRUSA-N	1	0	368.481	1.851	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C	ZINC000874363935	990173051	/nfs/dbraw/zinc/17/30/51/990173051.db2.gz	BNWJQFZWPNQOKB-CVEARBPZSA-N	1	0	359.401	1.471	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)cc1	ZINC000874366445	990188822	/nfs/dbraw/zinc/18/88/22/990188822.db2.gz	VAYLEVXAFFKWBZ-SJORKVTESA-N	1	0	370.453	1.236	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)cc1	ZINC000298758145	990262105	/nfs/dbraw/zinc/26/21/05/990262105.db2.gz	OLQKAXFBLHWXOK-GOSISDBHSA-N	1	0	354.454	1.413	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Nc2ccn(-c3ncccc3F)n2)CC1	ZINC000371128766	990267736	/nfs/dbraw/zinc/26/77/36/990267736.db2.gz	HPTWKJBYEIHZIZ-UHFFFAOYSA-N	1	0	358.421	2.568	20	30		FDEDRO
N#CCOc1cccc(CC(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)c1	ZINC000371218388	990310397	/nfs/dbraw/zinc/31/03/97/990310397.db2.gz	GGQDLDXDNQSZMC-MJGOQNOKSA-N	1	0	357.454	1.749	20	30		FDEDRO
CC1(C[NH+]2CCOCC2)CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1	ZINC000371545034	990514583	/nfs/dbraw/zinc/51/45/83/990514583.db2.gz	GZVUSZAXXCAEBW-UHFFFAOYSA-N	1	0	370.449	1.728	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000874846584	990574347	/nfs/dbraw/zinc/57/43/47/990574347.db2.gz	YTCJYPRGKPMNBF-DLBZAZTESA-N	1	0	350.426	1.635	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)NC[C@H](c1ccc(CC)cc1)[NH+](C)C	ZINC000874993621	990694079	/nfs/dbraw/zinc/69/40/79/990694079.db2.gz	FWPFUJNHKKRWOO-QZTJIDSGSA-N	1	0	359.470	1.122	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)c1C#N	ZINC000371782227	990715774	/nfs/dbraw/zinc/71/57/74/990715774.db2.gz	UYLFNQFNQROMOK-CRAIPNDOSA-N	1	0	370.453	1.422	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000372218560	990967799	/nfs/dbraw/zinc/96/77/99/990967799.db2.gz	PMRYHHLJHCQZIG-STXHMFSFSA-N	1	0	367.453	1.526	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000875166900	990992325	/nfs/dbraw/zinc/99/23/25/990992325.db2.gz	OGEFQTQDOLBHNW-OALUTQOASA-N	1	0	371.481	1.169	20	30		FDEDRO
CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1	ZINC000372289682	990998667	/nfs/dbraw/zinc/99/86/67/990998667.db2.gz	QMAVLYYBPHWRFB-IRXDYDNUSA-N	1	0	359.426	1.929	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C)c3ncccc3C2)CC1	ZINC000875182468	991022336	/nfs/dbraw/zinc/02/23/36/991022336.db2.gz	OTQXMQVNVGHEEZ-UHFFFAOYSA-N	1	0	371.485	1.017	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000875249567	991192754	/nfs/dbraw/zinc/19/27/54/991192754.db2.gz	AOANQRRNKUMARQ-QRQLOZEOSA-N	1	0	371.481	1.168	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)ccc1F	ZINC000372578418	991236695	/nfs/dbraw/zinc/23/66/95/991236695.db2.gz	MIZRKGBELKKUDE-SUMWQHHRSA-N	1	0	374.416	1.253	20	30		FDEDRO
N#CCCCOc1cccnc1NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000372678822	991334851	/nfs/dbraw/zinc/33/48/51/991334851.db2.gz	CHASECURPDRIIQ-CVEARBPZSA-N	1	0	373.457	1.827	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1	ZINC000875347617	991368203	/nfs/dbraw/zinc/36/82/03/991368203.db2.gz	SAYLTSYJUVLEOV-LJQANCHMSA-N	1	0	373.497	1.871	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)NCCC2CC[NH+](C(C)C)CC2)c1	ZINC000875399162	991470400	/nfs/dbraw/zinc/47/04/00/991470400.db2.gz	VWOMOSQOFDLTHJ-UHFFFAOYSA-N	1	0	355.482	1.911	20	30		FDEDRO
CN(CCc1cccc(C#N)c1)C(=O)NCCN1CCC([NH+](C)C)CC1	ZINC000875428464	991528772	/nfs/dbraw/zinc/52/87/72/991528772.db2.gz	JFKAFNUCQRMCTJ-UHFFFAOYSA-N	1	0	357.502	1.768	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@@H]2CCO[C@@H]2C2CC2)CC1	ZINC000372809547	991551083	/nfs/dbraw/zinc/55/10/83/991551083.db2.gz	YXIBYIZGCUDYQL-GPMSIDNRSA-N	1	0	374.510	1.614	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)NC[C@H]1CN(Cc2ccccc2C)CCO1	ZINC000875716244	991936470	/nfs/dbraw/zinc/93/64/70/991936470.db2.gz	TXAZTEAUEPCGBY-SFHVURJKSA-N	1	0	359.470	1.347	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)NC[C@H]1CN(Cc2ccccc2C)CCO1	ZINC000875716476	991936980	/nfs/dbraw/zinc/93/69/80/991936980.db2.gz	URKGBIIXOTUPJF-IBGZPJMESA-N	1	0	373.497	1.737	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(OC)cc1	ZINC000373178410	991981177	/nfs/dbraw/zinc/98/11/77/991981177.db2.gz	LNSWLSZNUXTUCB-VQIMIIECSA-N	1	0	374.485	1.680	20	30		FDEDRO
C[C@@](O)(C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)CN1CCOCC1	ZINC000373184472	991985446	/nfs/dbraw/zinc/98/54/46/991985446.db2.gz	DVAIVCUWISRBRK-OAQYLSRUSA-N	1	0	372.513	1.195	20	30		FDEDRO
C[C@](O)(C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)CN1CCOCC1	ZINC000373184471	991985652	/nfs/dbraw/zinc/98/56/52/991985652.db2.gz	DVAIVCUWISRBRK-NRFANRHFSA-N	1	0	372.513	1.195	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000875923389	992197096	/nfs/dbraw/zinc/19/70/96/992197096.db2.gz	BEYZUEVESTUYIH-GUDVDZBRSA-N	1	0	359.470	1.207	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC1	ZINC000876018778	992254060	/nfs/dbraw/zinc/25/40/60/992254060.db2.gz	CUOOSUCDWMNAIN-UHFFFAOYSA-N	1	0	372.473	1.143	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CC2)C1	ZINC000876279632	992520184	/nfs/dbraw/zinc/52/01/84/992520184.db2.gz	RRUZNMDSMJGSOO-PMACEKPBSA-N	1	0	367.497	1.447	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CC2)C1	ZINC000876279634	992520486	/nfs/dbraw/zinc/52/04/86/992520486.db2.gz	RRUZNMDSMJGSOO-VQTJNVASSA-N	1	0	367.497	1.447	20	30		FDEDRO
COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1ccc(C#N)c(Cl)n1	ZINC000876474279	992643997	/nfs/dbraw/zinc/64/39/97/992643997.db2.gz	ARHBFUVDYZIMNQ-INIZCTEOSA-N	1	0	352.822	1.026	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCOc2ccccc21)N[C@H]1CCc2nc(C)nn2C1	ZINC000125988707	992667954	/nfs/dbraw/zinc/66/79/54/992667954.db2.gz	KNGAKNZFZSRNRI-GJZGRUSLSA-N	1	0	354.458	1.633	20	30		FDEDRO
COC(=O)[C@H]1CN([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC[N@H+](C)C1	ZINC000411921388	992711284	/nfs/dbraw/zinc/71/12/84/992711284.db2.gz	SHCCTSHQGORYGB-IAGOWNOFSA-N	1	0	372.469	1.358	20	30		FDEDRO
CC(C)C(=O)N1CCCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876606452	992737480	/nfs/dbraw/zinc/73/74/80/992737480.db2.gz	DTACFUZOGFUEOI-SFHVURJKSA-N	1	0	354.454	1.462	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@](C(N)=O)(c2ccccc2)C1	ZINC000411964364	992740950	/nfs/dbraw/zinc/74/09/50/992740950.db2.gz	IODVGPZRMZHGBU-HRAATJIYSA-N	1	0	368.481	1.847	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1OC	ZINC000876625633	992751984	/nfs/dbraw/zinc/75/19/84/992751984.db2.gz	AFPMAZHVIAIERA-ZDUSSCGKSA-N	1	0	367.833	1.576	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)nc1	ZINC000964935070	1015731609	/nfs/dbraw/zinc/73/16/09/1015731609.db2.gz	OVJOSVSILJPDMZ-BPQIPLTHSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NCCNC(=O)c1cccc(Br)c1	ZINC000876637389	992762242	/nfs/dbraw/zinc/76/22/42/992762242.db2.gz	MZZCDSLARVHFCH-GFCCVEGCSA-N	1	0	374.666	1.765	20	30		FDEDRO
C=CCNC(=O)c1ccc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)nc1	ZINC000374310430	992766026	/nfs/dbraw/zinc/76/60/26/992766026.db2.gz	MDJISCBJIXIVCP-SJLPKXTDSA-N	1	0	357.502	1.460	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCc1n[nH]cc1Br	ZINC000876647645	992769159	/nfs/dbraw/zinc/76/91/59/992769159.db2.gz	HACOEVKJRDTVCX-AWEZNQCLSA-N	1	0	360.215	1.547	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NCc1nc2cc(Br)cnc2[nH]1	ZINC000876772324	992895151	/nfs/dbraw/zinc/89/51/51/992895151.db2.gz	AUGDCVDUPIFFGJ-QMMMGPOBSA-N	1	0	358.627	1.807	20	30		FDEDRO
CCOC(=O)C1(NC(=O)Cc2cccc(OCC#N)c2)CC[NH+](C)CC1	ZINC000374650206	992915838	/nfs/dbraw/zinc/91/58/38/992915838.db2.gz	WYWCEBPPVUHFFA-UHFFFAOYSA-N	1	0	359.426	1.275	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)CC[N@@H+]1C	ZINC000964941329	1015740042	/nfs/dbraw/zinc/74/00/42/1015740042.db2.gz	MKQLTZKBWOZBGK-RYQLBKOJSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)s1	ZINC000876827506	992928712	/nfs/dbraw/zinc/92/87/12/992928712.db2.gz	RBPFTJNLZGLPJU-BETUJISGSA-N	1	0	369.512	1.108	20	30		FDEDRO
C#CCCOc1ccc(C[NH+]2CCC(N3CCN(C)CC3=O)CC2)cc1	ZINC000374733575	992932972	/nfs/dbraw/zinc/93/29/72/992932972.db2.gz	NBZCIOVNPKQTTC-UHFFFAOYSA-N	1	0	355.482	1.827	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(c2ccc(C(=O)OC)cc2)C[C@H]1C	ZINC000876876358	992945425	/nfs/dbraw/zinc/94/54/25/992945425.db2.gz	OYSNJDMDBNOUJX-CJNGLKHVSA-N	1	0	365.861	1.980	20	30		FDEDRO
Cc1nccc(N2CCN(C(=O)[C@H]3[NH2+]CCc4cc(C#N)ccc43)CC2)n1	ZINC000876885265	992948833	/nfs/dbraw/zinc/94/88/33/992948833.db2.gz	KPUKVAICAGYKGS-IBGZPJMESA-N	1	0	362.437	1.192	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1	ZINC000876894794	992954543	/nfs/dbraw/zinc/95/45/43/992954543.db2.gz	XLBOGCZYBLTWPM-CVEARBPZSA-N	1	0	365.861	1.043	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cccc(N2CCCS2(=O)=O)c1	ZINC000876895645	992955197	/nfs/dbraw/zinc/95/51/97/992955197.db2.gz	HLXUJDKUPRJDJR-AWEZNQCLSA-N	1	0	357.863	1.313	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NC1CCN(S(=O)(=O)CC(C)C)CC1	ZINC000876904525	992961394	/nfs/dbraw/zinc/96/13/94/992961394.db2.gz	DCJIHRXYQSUSSL-ZDUSSCGKSA-N	1	0	351.900	1.023	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN(C)[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1	ZINC000374921364	992967768	/nfs/dbraw/zinc/96/77/68/992967768.db2.gz	XWSLFRCPSFCMSQ-FUHWJXTLSA-N	1	0	374.485	1.220	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cccc(OCCCC#N)c3)C[C@@H]21	ZINC000375047174	992988114	/nfs/dbraw/zinc/98/81/14/992988114.db2.gz	CAEOSDFKWZJPLK-YJBOKZPZSA-N	1	0	370.453	1.860	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1	ZINC000412880805	992999949	/nfs/dbraw/zinc/99/99/49/992999949.db2.gz	ISWFIJJXHIPZKZ-INIZCTEOSA-N	1	0	373.497	1.981	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1	ZINC000412880806	993000205	/nfs/dbraw/zinc/00/02/05/993000205.db2.gz	ISWFIJJXHIPZKZ-MRXNPFEDSA-N	1	0	373.497	1.981	20	30		FDEDRO
N#Cc1cccc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)n1	ZINC000877030679	993021324	/nfs/dbraw/zinc/02/13/24/993021324.db2.gz	KNXBNWYYGNMLOU-UHFFFAOYSA-N	1	0	356.451	1.478	20	30		FDEDRO
COc1cccc(C2(NC(=O)C#CC3CC[NH2+]CC3)CCOCC2)c1F	ZINC000877235890	993128655	/nfs/dbraw/zinc/12/86/55/993128655.db2.gz	OFPCUHRCNZRIRQ-UHFFFAOYSA-N	1	0	360.429	1.959	20	30		FDEDRO
CC(C)CC(=O)N1CCCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000877289683	993182445	/nfs/dbraw/zinc/18/24/45/993182445.db2.gz	WUAIQELAPZTYGY-HXUWFJFHSA-N	1	0	368.481	1.852	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[N@@H+]([C@H](C)CO)CC2)c1	ZINC000375496540	993193355	/nfs/dbraw/zinc/19/33/55/993193355.db2.gz	PUKBOWMVPCMUHY-LJQANCHMSA-N	1	0	372.513	1.939	20	30		FDEDRO
Cc1cc(N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c(C#N)cc1[N+](=O)[O-]	ZINC000413315319	993229420	/nfs/dbraw/zinc/22/94/20/993229420.db2.gz	JWAYFHDXWXRAJF-HNNXBMFYSA-N	1	0	357.414	1.566	20	30		FDEDRO
COc1ccc(CCNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)cc1O	ZINC000877349560	993237595	/nfs/dbraw/zinc/23/75/95/993237595.db2.gz	LXRQYPHKACUQRG-LJQANCHMSA-N	1	0	351.406	1.818	20	30		FDEDRO
COC(=O)c1cn([C@H]2CC[N@H+](Cc3cc(C#N)ccc3N(C)C)C2)nn1	ZINC000877352991	993239314	/nfs/dbraw/zinc/23/93/14/993239314.db2.gz	IOAIFZJCWLCAHD-HNNXBMFYSA-N	1	0	354.414	1.449	20	30		FDEDRO
C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O)C2	ZINC001095560955	993481836	/nfs/dbraw/zinc/48/18/36/993481836.db2.gz	KGIBFWISHDTUEY-GFEQUFNTSA-N	1	0	357.498	1.912	20	30		FDEDRO
C[NH+]1CCC(NC(=O)CN2CCN(c3cccc(F)c3C#N)CC2)CC1	ZINC000877898586	993544425	/nfs/dbraw/zinc/54/44/25/993544425.db2.gz	RALRHASVVGZSSZ-UHFFFAOYSA-N	1	0	359.449	1.030	20	30		FDEDRO
COCCNC(=O)C1CC[NH+](CC[C@](C#N)(C(C)=O)c2ccccc2)CC1	ZINC000877916990	993553216	/nfs/dbraw/zinc/55/32/16/993553216.db2.gz	RFYJTRMQVRCPJP-NRFANRHFSA-N	1	0	371.481	1.902	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)N3CCN(CCC#N)CC3)cc2)CC1	ZINC000878021446	993620429	/nfs/dbraw/zinc/62/04/29/993620429.db2.gz	GTVFTXJAYUJCNQ-UHFFFAOYSA-N	1	0	370.501	1.892	20	30		FDEDRO
CCN1CCOC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1	ZINC001095655390	993893650	/nfs/dbraw/zinc/89/36/50/993893650.db2.gz	CWQUBSSBPAMNRB-FUMNGEBKSA-N	1	0	368.481	1.500	20	30		FDEDRO
C[C@@H]1C[N@@H+](C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)C[C@H](C)N1CC#N	ZINC000878772155	994214229	/nfs/dbraw/zinc/21/42/29/994214229.db2.gz	GWOSZINTSULGTG-FCEWJHQRSA-N	1	0	366.506	1.667	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH+]2CCC3(CC2)c2ccccc2N=C3C)CC1	ZINC000878795869	994236463	/nfs/dbraw/zinc/23/64/63/994236463.db2.gz	SASBBPKZVHHXIW-UHFFFAOYSA-N	1	0	364.493	1.904	20	30		FDEDRO
Cc1ccc(N(CCC#N)C(=O)CN2CCC[C@](O)(C[NH+](C)C)C2)cc1C	ZINC000878868152	994302803	/nfs/dbraw/zinc/30/28/03/994302803.db2.gz	NGHJUCWMAORKAJ-NRFANRHFSA-N	1	0	372.513	1.939	20	30		FDEDRO
CSc1ccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cc1C#N	ZINC000923981964	994309286	/nfs/dbraw/zinc/30/92/86/994309286.db2.gz	VUXOEFWQFMBLTA-HNNXBMFYSA-N	1	0	360.483	1.306	20	30		FDEDRO
C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	ZINC000968916619	1015861909	/nfs/dbraw/zinc/86/19/09/1015861909.db2.gz	FWYQLKQAIRBCDI-ZNMIVQPWSA-N	1	0	362.392	1.717	20	30		FDEDRO
Cc1cc(NC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)nn1CCC#N	ZINC000879078216	994515601	/nfs/dbraw/zinc/51/56/01/994515601.db2.gz	NLGYOQFUHCEYLM-UHFFFAOYSA-N	1	0	360.462	1.681	20	30		FDEDRO
Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(C#N)cc2)cn1	ZINC000879190116	994615187	/nfs/dbraw/zinc/61/51/87/994615187.db2.gz	JKQZADABHDTFHR-QZTJIDSGSA-N	1	0	353.426	1.220	20	30		FDEDRO
Cc1cccc(C(=O)NC2CC[NH+](CCC(=O)N(C)CCC#N)CC2)c1	ZINC000879351040	994806062	/nfs/dbraw/zinc/80/60/62/994806062.db2.gz	YKZSPBMGYCUJMT-UHFFFAOYSA-N	1	0	356.470	1.951	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NCc2cc(N(C)C)cc[nH+]2)n1	ZINC000924669514	994921565	/nfs/dbraw/zinc/92/15/65/994921565.db2.gz	UGEOOMYYWVVJGY-UHFFFAOYSA-N	1	0	370.457	1.336	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1	ZINC000965198991	1015901132	/nfs/dbraw/zinc/90/11/32/1015901132.db2.gz	VPOHPVCEHWTLRW-ZACQAIPSSA-N	1	0	361.486	1.171	20	30		FDEDRO
COc1ccc([C@@H]2CN(CC(=O)N(CCC#N)CCC#N)CC[NH2+]2)cc1	ZINC000879521792	994974694	/nfs/dbraw/zinc/97/46/94/994974694.db2.gz	RIVWEOJNGPLTJA-SFHVURJKSA-N	1	0	355.442	1.297	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1	ZINC000879533632	994986165	/nfs/dbraw/zinc/98/61/65/994986165.db2.gz	QVWNNWMGIYQDAK-YUELXQCFSA-N	1	0	361.467	1.198	20	30		FDEDRO
N#Cc1ccc(N2CC[NH+](C[C@@](O)(C(N)=O)c3ccccc3)CC2)cc1	ZINC000879586942	995051607	/nfs/dbraw/zinc/05/16/07/995051607.db2.gz	ZSAUDXNBIGUIAX-FQEVSTJZSA-N	1	0	350.422	1.053	20	30		FDEDRO
N#CCCN1CC[NH+](CCC(=O)Nc2ccccc2C(=O)NC2CC2)CC1	ZINC000879600268	995071073	/nfs/dbraw/zinc/07/10/73/995071073.db2.gz	SLSNVHDCBYRXIL-UHFFFAOYSA-N	1	0	369.469	1.439	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)CC1	ZINC000925044956	995258296	/nfs/dbraw/zinc/25/82/96/995258296.db2.gz	NOJILOVFVOKKAV-UHFFFAOYSA-N	1	0	374.529	1.955	20	30		FDEDRO
C[C@@H](CC(C)(C)C#N)[NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1	ZINC000925462369	995613813	/nfs/dbraw/zinc/61/38/13/995613813.db2.gz	VQSAWYFISUKKGX-ZDUSSCGKSA-N	1	0	353.492	1.491	20	30		FDEDRO
C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000925495487	995628599	/nfs/dbraw/zinc/62/85/99/995628599.db2.gz	OMDDIHVBFWFDMM-IWHJNQCMSA-N	1	0	369.425	1.035	20	30		FDEDRO
C#CCNC(=O)CC[N@H+]1C[C@H](C)O[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000880220718	995734299	/nfs/dbraw/zinc/73/42/99/995734299.db2.gz	XHGJBDWEAIAUCS-KXBFYZLASA-N	1	0	365.474	1.226	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)[C@H](O)c1ccc(C#N)cc1)C2	ZINC000926163101	995950690	/nfs/dbraw/zinc/95/06/90/995950690.db2.gz	WJDSKSFIWOZMTO-KLBVCGFUSA-N	1	0	357.454	1.188	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1)C2	ZINC000926190618	995970185	/nfs/dbraw/zinc/97/01/85/995970185.db2.gz	SIDFJGSHDNTKKB-QIOAEMSDSA-N	1	0	371.481	1.921	20	30		FDEDRO
C=CCn1cc2ccc(NC(=O)N3C[C@@H](c4cnn(C)c4)[C@H]([NH3+])C3)cc2n1	ZINC000926225596	995980695	/nfs/dbraw/zinc/98/06/95/995980695.db2.gz	XONPUELEQBTFJN-DLBZAZTESA-N	1	0	365.441	1.914	20	30		FDEDRO
CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3ncc(C#N)cc3C)C2)[C@H]1C(C)C	ZINC000926244171	995993147	/nfs/dbraw/zinc/99/31/47/995993147.db2.gz	WPPYYTCWJSIDPG-QQTQMKHKSA-N	1	0	356.470	1.861	20	30		FDEDRO
CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)Cc3ccc(C#N)nc3)C2)[C@H]1C(C)C	ZINC000926272320	996014942	/nfs/dbraw/zinc/01/49/42/996014942.db2.gz	WASXCIUMMXVNKI-LFGUQSLTSA-N	1	0	356.470	1.482	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1	ZINC000926314691	996048579	/nfs/dbraw/zinc/04/85/79/996048579.db2.gz	NLZOPRPTSQUWGH-WBVHZDCISA-N	1	0	359.470	1.653	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1	ZINC000926643567	996250211	/nfs/dbraw/zinc/25/02/11/996250211.db2.gz	BUYFOMZIAWZXPP-QYZOEREBSA-N	1	0	372.469	1.435	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCO2	ZINC000965391623	1016031730	/nfs/dbraw/zinc/03/17/30/1016031730.db2.gz	CXODIFPKMNKWIL-HZPDHXFCSA-N	1	0	363.502	1.369	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F	ZINC000887035316	996850750	/nfs/dbraw/zinc/85/07/50/996850750.db2.gz	LHMJKXCANPGQHH-GFCCVEGCSA-N	1	0	367.400	1.414	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1	ZINC000887040800	996862317	/nfs/dbraw/zinc/86/23/17/996862317.db2.gz	KYCVWGUHLKNVCR-LJQANCHMSA-N	1	0	356.426	1.498	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1	ZINC000887078714	996913800	/nfs/dbraw/zinc/91/38/00/996913800.db2.gz	BKZKIVIMGAUSIA-HXUWFJFHSA-N	1	0	354.454	1.509	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)CCOCC1	ZINC000887123491	996954457	/nfs/dbraw/zinc/95/44/57/996954457.db2.gz	RGRBZCGMMFLZJV-UHFFFAOYSA-N	1	0	368.430	1.330	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N2CCc3cc(OC)c(OC)cc3C2)CCOCC1	ZINC000887125555	996955023	/nfs/dbraw/zinc/95/50/23/996955023.db2.gz	AJDUTQPBLHAYBU-UHFFFAOYSA-N	1	0	372.465	1.751	20	30		FDEDRO
C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3ccc(C4CC4)c(C#N)c3)C2)C1	ZINC000890297592	997147773	/nfs/dbraw/zinc/14/77/73/997147773.db2.gz	WHPSIKLLRLEIJG-HXUWFJFHSA-N	1	0	352.438	1.928	20	30		FDEDRO
C=CCn1c(C)cc(C(=O)Cn2cc(CN3CCC[C@H]([NH3+])C3)nn2)c1C	ZINC000887432284	997261785	/nfs/dbraw/zinc/26/17/85/997261785.db2.gz	JBNBYJWADRFAOZ-INIZCTEOSA-N	1	0	356.474	1.688	20	30		FDEDRO
COc1ccc(OC)c(CCNC(=[NH2+])N2CCN(c3ncccn3)CC2)c1	ZINC000264060667	997392042	/nfs/dbraw/zinc/39/20/42/997392042.db2.gz	CQONHFCSPGRUBQ-UHFFFAOYSA-N	1	0	370.457	1.173	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2cccc(OCC#N)c2)CC1	ZINC000264073646	997395130	/nfs/dbraw/zinc/39/51/30/997395130.db2.gz	BRFHVOHPICOHLT-UHFFFAOYSA-N	1	0	373.457	1.607	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccccc2-n2cccn2)CC1	ZINC000264080841	997398604	/nfs/dbraw/zinc/39/86/04/997398604.db2.gz	HDWXQAHZDPTFOU-UHFFFAOYSA-N	1	0	370.457	1.898	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(C(=O)CCCOc2ccccc2C)CC1	ZINC000264216409	997429327	/nfs/dbraw/zinc/42/93/27/997429327.db2.gz	XENCNXPAUDBFEH-UHFFFAOYSA-N	1	0	371.481	1.438	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCC(=O)N2CCc3ccccc32)cc1OC	ZINC000264252708	997439374	/nfs/dbraw/zinc/43/93/74/997439374.db2.gz	HONKENXXBOMFRL-UHFFFAOYSA-N	1	0	368.437	1.697	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCCc1ccn(-c2ccccc2)n1	ZINC000264275415	997446804	/nfs/dbraw/zinc/44/68/04/997446804.db2.gz	MNFYFDJXOQGEQG-UHFFFAOYSA-N	1	0	356.474	1.041	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2cccc(CN3CCOCC3)c2)CC1	ZINC000264399864	997496417	/nfs/dbraw/zinc/49/64/17/997496417.db2.gz	MGNALMLQDFVZHA-UHFFFAOYSA-N	1	0	372.513	1.968	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1	ZINC000264524530	997532130	/nfs/dbraw/zinc/53/21/30/997532130.db2.gz	XAKQXPFQJQUFTB-OAHLLOKOSA-N	1	0	356.426	1.592	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](C(=O)N2CCO[C@@](C)(C#N)C2)[C@@H](c2cnn(C)c2)C1	ZINC000887692417	997657092	/nfs/dbraw/zinc/65/70/92/997657092.db2.gz	MKAWQPUEVZSECM-SCTDSRPQSA-N	1	0	359.474	1.375	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NCc2ccccc2N2CCOCC2)C1	ZINC000887993712	997999055	/nfs/dbraw/zinc/99/90/55/997999055.db2.gz	IQMQWVLISLVQBF-GOSISDBHSA-N	1	0	356.470	1.420	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NCc2ccccc2N2CCOCC2)C1	ZINC000887993714	997999408	/nfs/dbraw/zinc/99/94/08/997999408.db2.gz	IQMQWVLISLVQBF-SFHVURJKSA-N	1	0	356.470	1.420	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000889781138	998653725	/nfs/dbraw/zinc/65/37/25/998653725.db2.gz	LWXGTXLPHWEENH-HZPDHXFCSA-N	1	0	359.426	1.003	20	30		FDEDRO
C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000889934110	998732460	/nfs/dbraw/zinc/73/24/60/998732460.db2.gz	LOLWDOLJAAPMCC-QAPCUYQASA-N	1	0	356.470	1.990	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)ccc1C1CC1	ZINC000889961363	998748149	/nfs/dbraw/zinc/74/81/49/998748149.db2.gz	PIKYRODIDPGAHW-KRWDZBQOSA-N	1	0	350.422	1.847	20	30		FDEDRO
C#CC1(F)CN(C(=O)NCCC2(O)CC[NH+](Cc3ccccc3)CC2)C1	ZINC000889993126	998762081	/nfs/dbraw/zinc/76/20/81/998762081.db2.gz	MYOKYDDTLJTHBP-UHFFFAOYSA-N	1	0	359.445	1.770	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)n1	ZINC000890400899	998931087	/nfs/dbraw/zinc/93/10/87/998931087.db2.gz	YNXCBBZBVFUJGD-MRXNPFEDSA-N	1	0	355.442	1.609	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3cnnn3)cn1)C2	ZINC001110843943	999021433	/nfs/dbraw/zinc/02/14/33/999021433.db2.gz	BQWACYVNNGEGQR-JFTQMJAMSA-N	1	0	367.457	1.747	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCNC(=O)C1CC1	ZINC001110863215	999072097	/nfs/dbraw/zinc/07/20/97/999072097.db2.gz	AFLIUIARPCFXLH-WWNBULGVSA-N	1	0	363.502	1.463	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCc2cccc(OCC(N)=O)c2)cc1	ZINC000267454590	999340718	/nfs/dbraw/zinc/34/07/18/999340718.db2.gz	SOVFKOUNYNJQAL-UHFFFAOYSA-N	1	0	356.426	1.206	20	30		FDEDRO
COc1cccc(OCCCNC(=[NH2+])N2CCN(c3ncccn3)CC2)c1	ZINC000267459749	999341902	/nfs/dbraw/zinc/34/19/02/999341902.db2.gz	UPWVHZNKPXVONF-UHFFFAOYSA-N	1	0	370.457	1.391	20	30		FDEDRO
COc1cc(CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)ccn1	ZINC000268061609	999421794	/nfs/dbraw/zinc/42/17/94/999421794.db2.gz	FBEHJNMFAGUDCI-AWEZNQCLSA-N	1	0	361.446	1.471	20	30		FDEDRO
C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)Nc3cccc(OCC#N)c3)C2)CC1	ZINC000270071352	999507950	/nfs/dbraw/zinc/50/79/50/999507950.db2.gz	BHEIWHHYFQPQBG-MRXNPFEDSA-N	1	0	370.453	1.718	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCc4ccc(C#N)cc43)CC[C@H]21	ZINC000270178928	999521917	/nfs/dbraw/zinc/52/19/17/999521917.db2.gz	LODQGDPPJNEWPQ-IAGOWNOFSA-N	1	0	352.438	1.390	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)nn1CCC#N	ZINC000271094360	999660127	/nfs/dbraw/zinc/66/01/27/999660127.db2.gz	VVQGIQNRVNHFLH-QLFBSQMISA-N	1	0	374.489	1.526	20	30		FDEDRO
C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cccc(N2CCOCC2)c1	ZINC000271419945	999700594	/nfs/dbraw/zinc/70/05/94/999700594.db2.gz	BOIYPFAMDHINIU-DNTCVELPSA-N	1	0	370.453	1.700	20	30		FDEDRO
CC(=O)NC(C)(C)C(N)=NOC[C@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000283581611	999757560	/nfs/dbraw/zinc/75/75/60/999757560.db2.gz	RDIQNXIFYLTXON-QGZVFWFLSA-N	1	0	362.474	1.481	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(OC(C)C)cc2)CC1	ZINC000283844531	999761875	/nfs/dbraw/zinc/76/18/75/999761875.db2.gz	TUTGQRPGPWTXRK-UHFFFAOYSA-N	1	0	359.470	1.857	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)[C@H](C)C1	ZINC000284134591	999777993	/nfs/dbraw/zinc/77/79/93/999777993.db2.gz	WDXMBNANSOHCLG-RKVPGOIHSA-N	1	0	356.470	1.924	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000284331294	999808710	/nfs/dbraw/zinc/80/87/10/999808710.db2.gz	OVZBITDUDMLVPB-RTBURBONSA-N	1	0	366.465	1.816	20	30		FDEDRO
N#Cc1ccccc1OCC[NH+]1CCC(n2cnc(C(N)=O)c2N)CC1	ZINC000284380326	999820465	/nfs/dbraw/zinc/82/04/65/999820465.db2.gz	UWQJAELYRSASSF-UHFFFAOYSA-N	1	0	354.414	1.152	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCc3c2cnn3C)CC1	ZINC000284570103	999851277	/nfs/dbraw/zinc/85/12/77/999851277.db2.gz	WUZZXVBZHXJWKX-INIZCTEOSA-N	1	0	359.474	1.070	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C	ZINC000285076233	999900363	/nfs/dbraw/zinc/90/03/63/999900363.db2.gz	MCMBQRJNPPCHGA-FHWLQOOXSA-N	1	0	373.497	1.811	20	30		FDEDRO
COC(=O)CCN1CCN(C(=O)NCCc2cccc(C#N)c2)[C@@H](C)C1	ZINC000466810861	999937987	/nfs/dbraw/zinc/93/79/87/999937987.db2.gz	BVBDIRILAYFQOK-HNNXBMFYSA-N	1	0	358.442	1.380	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](c2ncccc2C)C(C)C)CC1	ZINC000286354600	999943987	/nfs/dbraw/zinc/94/39/87/999943987.db2.gz	BREFPQCXDXJWBO-QGZVFWFLSA-N	1	0	358.486	1.970	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C[C@H](C)O)c2ccccc2)CC1	ZINC000286420004	999944256	/nfs/dbraw/zinc/94/42/56/999944256.db2.gz	FSMHRQKGFOJWLW-WMZOPIPTSA-N	1	0	373.497	1.424	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccccc2OC)CC1	ZINC000286402566	999944372	/nfs/dbraw/zinc/94/43/72/999944372.db2.gz	DVQCFUXVCTUKIO-UHFFFAOYSA-N	1	0	359.470	1.810	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(C(C)(C)O)cc2)CC1	ZINC000286475826	999944698	/nfs/dbraw/zinc/94/46/98/999944698.db2.gz	IYDJRBXQJUQLPW-UHFFFAOYSA-N	1	0	359.470	1.297	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CCCn2ccnc2C)CC1	ZINC000286483156	999944947	/nfs/dbraw/zinc/94/49/47/999944947.db2.gz	JJDQMIYUKLYWLL-UHFFFAOYSA-N	1	0	361.490	1.197	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](COC)c2ccc(C)o2)CC1	ZINC000286605877	999945352	/nfs/dbraw/zinc/94/53/52/999945352.db2.gz	LCQRVWWDQFOGDJ-INIZCTEOSA-N	1	0	363.458	1.548	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](COC)c2ccc(C)o2)CC1	ZINC000286605890	999945366	/nfs/dbraw/zinc/94/53/66/999945366.db2.gz	LCQRVWWDQFOGDJ-MRXNPFEDSA-N	1	0	363.458	1.548	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCc3cccc(F)c3C2)CC1	ZINC000286624344	999945533	/nfs/dbraw/zinc/94/55/33/999945533.db2.gz	MCBXIYBYUILSRS-UHFFFAOYSA-N	1	0	359.445	1.867	20	30		FDEDRO
N#CCCCCNC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1	ZINC000286871441	999952856	/nfs/dbraw/zinc/95/28/56/999952856.db2.gz	VWGVMYUSIALYBK-UHFFFAOYSA-N	1	0	356.470	1.825	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](c3ncc[nH]3)C2)CC1	ZINC000286853448	999952948	/nfs/dbraw/zinc/95/29/48/999952948.db2.gz	ZCCJEMVEOBYVSB-HNNXBMFYSA-N	1	0	359.474	1.272	20	30		FDEDRO
C#CC[C@H](Cc1ccccc1)NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O	ZINC000287324062	999956385	/nfs/dbraw/zinc/95/63/85/999956385.db2.gz	KOBKIALYVHXYBB-MSOLQXFVSA-N	1	0	356.470	1.260	20	30		FDEDRO
Cc1ccc([C@@H](CNC(=O)NCCn2cnc(C#N)n2)[NH+]2CCCC2)o1	ZINC000287872587	999968399	/nfs/dbraw/zinc/96/83/99/999968399.db2.gz	QBYSLCZYHWDQDZ-CQSZACIVSA-N	1	0	357.418	1.188	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1	ZINC000287930957	999973748	/nfs/dbraw/zinc/97/37/48/999973748.db2.gz	PMHQTDJISALTNA-OAHLLOKOSA-N	1	0	356.470	1.894	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1	ZINC000288094759	999988101	/nfs/dbraw/zinc/98/81/01/999988101.db2.gz	LVWPZBIVJWYSIX-SJPCQFCGSA-N	1	0	355.438	1.721	20	30		FDEDRO
N#Cc1ccnc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1	ZINC000288506416	1000022400	/nfs/dbraw/zinc/02/24/00/1000022400.db2.gz	KRDFIWMXDWXXIJ-ROUUACIJSA-N	1	0	350.422	1.566	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1	ZINC000288685275	1000037722	/nfs/dbraw/zinc/03/77/22/1000037722.db2.gz	CECDEEQERSRWJD-MRXNPFEDSA-N	1	0	356.470	1.924	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1	ZINC000289483686	1000102046	/nfs/dbraw/zinc/10/20/46/1000102046.db2.gz	XOUKTSYTJJMLRS-UHFFFAOYSA-N	1	0	361.486	1.806	20	30		FDEDRO
CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)cc1	ZINC000289520917	1000104102	/nfs/dbraw/zinc/10/41/02/1000104102.db2.gz	HBXUECWMKQTTPY-PXNSSMCTSA-N	1	0	369.469	1.989	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@]2(COC)OCCc3ccccc32)CC1	ZINC000291099365	1000169607	/nfs/dbraw/zinc/16/96/07/1000169607.db2.gz	BGWINZAISLGZKK-OAQYLSRUSA-N	1	0	356.466	1.562	20	30		FDEDRO
C=C[C@H](CO)NC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1	ZINC000291146877	1000171429	/nfs/dbraw/zinc/17/14/29/1000171429.db2.gz	DTURSGROLAOSAR-LJQANCHMSA-N	1	0	360.502	1.431	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(CC(=O)Nc3ccccc3C(N)=O)C2)nc1	ZINC000292105770	1000210106	/nfs/dbraw/zinc/21/01/06/1000210106.db2.gz	GUISDXFZXHARKK-CQSZACIVSA-N	1	0	365.393	1.144	20	30		FDEDRO
C[C@H]1C[C@@H](O)CC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000292472478	1000238032	/nfs/dbraw/zinc/23/80/32/1000238032.db2.gz	RLEMARPPERFHIY-SNRMKQJTSA-N	1	0	374.460	1.380	20	30		FDEDRO
C[C@H]([NH2+]CCNc1ccc(C#N)cn1)C1CCN(S(C)(=O)=O)CC1	ZINC000927168716	1000664504	/nfs/dbraw/zinc/66/45/04/1000664504.db2.gz	UNUYMJKDNNPCQM-ZDUSSCGKSA-N	1	0	351.476	1.015	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)n1	ZINC000927638723	1000956162	/nfs/dbraw/zinc/95/61/62/1000956162.db2.gz	XGWABRZXBZDUFX-GOSISDBHSA-N	1	0	359.474	1.301	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)C1CCN(C(=O)OCC)CC1	ZINC000777641828	1001039160	/nfs/dbraw/zinc/03/91/60/1001039160.db2.gz	WKRLWDYTFXGRQD-OLZOCXBDSA-N	1	0	354.451	1.233	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CC[C@@H](C[NH3+])[C@H](C)C3)cc21	ZINC000927894101	1001197321	/nfs/dbraw/zinc/19/73/21/1001197321.db2.gz	ZYFHULLMWJGSCP-KGLIPLIRSA-N	1	0	355.442	1.604	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)cc1	ZINC000927926587	1001220997	/nfs/dbraw/zinc/22/09/97/1001220997.db2.gz	JOLBLNZOBRJXAQ-FQEVSTJZSA-N	1	0	370.453	1.286	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccncc2NC(=O)C(F)(F)F)CC1	ZINC000928649405	1001607332	/nfs/dbraw/zinc/60/73/32/1001607332.db2.gz	JXAPSLBYYABDBP-UHFFFAOYSA-N	1	0	354.332	1.410	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H](O)Cc2cccc(C(F)(F)F)c2)CC1	ZINC000928652703	1001609915	/nfs/dbraw/zinc/60/99/15/1001609915.db2.gz	JEIXRUBSVWNENE-MRXNPFEDSA-N	1	0	354.372	1.823	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CCCN2c2ncnc3sccc32)CC1	ZINC000928658145	1001613330	/nfs/dbraw/zinc/61/33/30/1001613330.db2.gz	MGKLWDUQLZYWTM-INIZCTEOSA-N	1	0	369.494	1.874	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)CC1	ZINC000928659710	1001615257	/nfs/dbraw/zinc/61/52/57/1001615257.db2.gz	YMKDOZUOIMOQOF-HNNXBMFYSA-N	1	0	355.438	1.262	20	30		FDEDRO
CCCCCCCCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000929143063	1001769914	/nfs/dbraw/zinc/76/99/14/1001769914.db2.gz	JPBXNUPPUCHPAP-SJORKVTESA-N	1	0	353.507	1.521	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)NCC1([NH+](C)C)CCCCC1	ZINC000929154443	1001778616	/nfs/dbraw/zinc/77/86/16/1001778616.db2.gz	LIGISFDWWTXCKO-UHFFFAOYSA-N	1	0	362.499	1.959	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1C#N	ZINC000929161631	1001784918	/nfs/dbraw/zinc/78/49/18/1001784918.db2.gz	UEHAXEKGYKCYMI-INIZCTEOSA-N	1	0	370.478	1.964	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)N3CCO[C@](C)(C#N)C3)cc2)CC1	ZINC000929348920	1001957371	/nfs/dbraw/zinc/95/73/71/1001957371.db2.gz	XPPNZBKUMMATKK-LJQANCHMSA-N	1	0	357.458	1.975	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)C2	ZINC001111273346	1001976618	/nfs/dbraw/zinc/97/66/18/1001976618.db2.gz	KPTFQAOFBKNESY-FMKPAKJESA-N	1	0	370.457	1.499	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1ccc(C(C)C)cc1)C1CC[NH+](C)CC1	ZINC000929380032	1001983019	/nfs/dbraw/zinc/98/30/19/1001983019.db2.gz	KMLBQRPLYNCHSU-UHFFFAOYSA-N	1	0	355.482	1.982	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)cc1C#N	ZINC000929499905	1002126394	/nfs/dbraw/zinc/12/63/94/1002126394.db2.gz	TXCOIJBFKWFHQP-UHFFFAOYSA-N	1	0	364.449	1.861	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)C2	ZINC001111273693	1002134153	/nfs/dbraw/zinc/13/41/53/1002134153.db2.gz	ZJDUFEDPHRGVQD-JLNYLFASSA-N	1	0	356.430	1.107	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1cc(C)ccc1OC)C1CC[NH+](C)CC1	ZINC000929531107	1002171391	/nfs/dbraw/zinc/17/13/91/1002171391.db2.gz	HBVOYSBZNUWBKN-UHFFFAOYSA-N	1	0	357.454	1.176	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1	ZINC000948202162	1002174702	/nfs/dbraw/zinc/17/47/02/1002174702.db2.gz	RJWPOMHEGFXKCH-SJKOYZFVSA-N	1	0	362.393	1.425	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC000948209583	1002180848	/nfs/dbraw/zinc/18/08/48/1002180848.db2.gz	UZXGYSSEHARPEM-KBRIMQKVSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1	ZINC000965945140	1016581088	/nfs/dbraw/zinc/58/10/88/1016581088.db2.gz	BDRWPVMZBWBYCV-OWSLCNJRSA-N	1	0	365.518	1.661	20	30		FDEDRO
C[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C)[NH+]1CCCCCC1	ZINC000948458563	1002362791	/nfs/dbraw/zinc/36/27/91/1002362791.db2.gz	XFBQIZLCTBMRCD-IIDMSEBBSA-N	1	0	371.485	1.728	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC000948579888	1002467854	/nfs/dbraw/zinc/46/78/54/1002467854.db2.gz	OWHJFVJEQODXNY-KBRIMQKVSA-N	1	0	357.458	1.336	20	30		FDEDRO
C#Cc1ccc(NC(=O)CCN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1	ZINC000929847391	1002515494	/nfs/dbraw/zinc/51/54/94/1002515494.db2.gz	IHVOMWPKONRDHM-LJQANCHMSA-N	1	0	368.481	1.235	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)[C@@H](O)C1	ZINC000965982324	1016651130	/nfs/dbraw/zinc/65/11/30/1016651130.db2.gz	DTZVRYQUJZNRSZ-OAGGEKHMSA-N	1	0	351.491	1.151	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(C)c(C#N)c2)CC1	ZINC000929947844	1002632428	/nfs/dbraw/zinc/63/24/28/1002632428.db2.gz	IVWPABKFIINTSF-UHFFFAOYSA-N	1	0	372.469	1.100	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H](CC)c1nc(C)cs1)C1CC[NH+](C)CC1	ZINC000930008386	1002732205	/nfs/dbraw/zinc/73/22/05/1002732205.db2.gz	ZIZFLUPIBHMQGY-HNNXBMFYSA-N	1	0	362.499	1.575	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C2CC2)[C@H]2CCCOC2)CC1	ZINC000930011148	1002734545	/nfs/dbraw/zinc/73/45/45/1002734545.db2.gz	XPWZHDXQPYAODG-FUHWJXTLSA-N	1	0	363.502	1.465	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+](C)C)C3)c1	ZINC001110981741	1002772027	/nfs/dbraw/zinc/77/20/27/1002772027.db2.gz	YZZSRZRETUPWHP-QRVBRYPASA-N	1	0	368.481	1.280	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1)[NH+]1CCCCCC1	ZINC000948982539	1002903984	/nfs/dbraw/zinc/90/39/84/1002903984.db2.gz	GVGILGSYUFESDC-IIDMSEBBSA-N	1	0	371.485	1.728	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@H]2C)cn1	ZINC000949017580	1002935148	/nfs/dbraw/zinc/93/51/48/1002935148.db2.gz	MKDVDXJJUNYUCL-LZQZEXGQSA-N	1	0	368.481	1.512	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1cc(F)cc(OC)c1)C1CC[NH+](C)CC1	ZINC000930223049	1002943728	/nfs/dbraw/zinc/94/37/28/1002943728.db2.gz	UEQCQYJKSFOTMF-UHFFFAOYSA-N	1	0	361.417	1.007	20	30		FDEDRO
C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1ccnn1C)CCO2	ZINC000949148139	1003038539	/nfs/dbraw/zinc/03/85/39/1003038539.db2.gz	UIDKNNNUCUPFJZ-IAGOWNOFSA-N	1	0	356.470	1.240	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C)cc1	ZINC000949185092	1003070232	/nfs/dbraw/zinc/07/02/32/1003070232.db2.gz	UVWHJZKXCWNLES-HHXXYDBFSA-N	1	0	369.465	1.227	20	30		FDEDRO
C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1cccnc1)CCO2	ZINC000949197095	1003084439	/nfs/dbraw/zinc/08/44/39/1003084439.db2.gz	SDGLRWACLWATNQ-RBUKOAKNSA-N	1	0	353.466	1.902	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cn1	ZINC000949214004	1003107207	/nfs/dbraw/zinc/10/72/07/1003107207.db2.gz	YMOOZHIBLARLJH-DNVCBOLYSA-N	1	0	368.481	1.372	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)C1CC[NH+](C)CC1	ZINC000930569203	1003278790	/nfs/dbraw/zinc/27/87/90/1003278790.db2.gz	BRCMGPABNGMYRN-RCCFBDPRSA-N	1	0	373.497	1.006	20	30		FDEDRO
C[N@H+]1C[C@H]2CN(C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)C[C@H]2C1	ZINC000930768072	1003486705	/nfs/dbraw/zinc/48/67/05/1003486705.db2.gz	JFRIGBPCJCZABE-BETUJISGSA-N	1	0	354.389	1.908	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@]2(CO[C@H](C[N@@H+]3CC[C@@](O)(CC#N)C3)C2)C1	ZINC000930818648	1003543241	/nfs/dbraw/zinc/54/32/41/1003543241.db2.gz	KOFFUHIZXURSPC-IPELMVKDSA-N	1	0	365.474	1.753	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC[C@H](C)O	ZINC001111291983	1003604542	/nfs/dbraw/zinc/60/45/42/1003604542.db2.gz	VEEAZFINEANCAC-IDCNUPLLSA-N	1	0	357.454	1.590	20	30		FDEDRO
CN(C)c1cc[nH+]c(CNC(=O)C(=O)NCc2ccc(CC#N)cc2)c1	ZINC000930904537	1003649740	/nfs/dbraw/zinc/64/97/40/1003649740.db2.gz	HWBBWSIFZDCHMC-UHFFFAOYSA-N	1	0	351.410	1.146	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC000949858806	1003755352	/nfs/dbraw/zinc/75/53/52/1003755352.db2.gz	UWILQMADIZJKIT-RHSMWYFYSA-N	1	0	357.458	1.339	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3ccsn3)C2)CC1	ZINC000949864626	1003758304	/nfs/dbraw/zinc/75/83/04/1003758304.db2.gz	AALMYFHUNSMNIX-CZUORRHYSA-N	1	0	360.483	1.065	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3occc3C)C2)CC1	ZINC000949864780	1003758925	/nfs/dbraw/zinc/75/89/25/1003758925.db2.gz	IPMMJPPRNIFPNH-NVXWUHKLSA-N	1	0	357.454	1.510	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCC[N@@H+](CC)C2)c1	ZINC000931127752	1003908103	/nfs/dbraw/zinc/90/81/03/1003908103.db2.gz	PVLRSUIAKHUUFF-INIZCTEOSA-N	1	0	362.495	1.945	20	30		FDEDRO
C#CC1(O)CCN([C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000931148066	1003923978	/nfs/dbraw/zinc/92/39/78/1003923978.db2.gz	PVCSZANRSMCZOZ-HKUYNNGSSA-N	1	0	355.482	1.226	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H](C)c1cc2cnccc2o1)C1CC[NH+](C)CC1	ZINC000931165138	1003932953	/nfs/dbraw/zinc/93/29/53/1003932953.db2.gz	XXJPCFIROFNJHJ-CQSZACIVSA-N	1	0	368.437	1.561	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](N3CC[NH+](CCCCCO)CC3)C2=O)cc1	ZINC000931496117	1004214561	/nfs/dbraw/zinc/21/45/61/1004214561.db2.gz	HJSVNLYJKTXXAS-IBGZPJMESA-N	1	0	356.470	1.444	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1	ZINC000931594891	1004298433	/nfs/dbraw/zinc/29/84/33/1004298433.db2.gz	UOFOYTKHCSKPMN-UHFFFAOYSA-N	1	0	372.444	1.790	20	30		FDEDRO
N#Cc1ncn(CC[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1	ZINC000796498609	1016869319	/nfs/dbraw/zinc/86/93/19/1016869319.db2.gz	XSWLRZVCJNFQKI-UHFFFAOYSA-N	1	0	355.402	1.838	20	30		FDEDRO
COC1(OC)CCOC[C@H]1[NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000931672556	1004397515	/nfs/dbraw/zinc/39/75/15/1004397515.db2.gz	XIEOJNPJVALTNB-OAHLLOKOSA-N	1	0	367.833	1.908	20	30		FDEDRO
C#CCC1(O)CC[NH+](C[C@@H](O)CC2(O)CCC(C(=O)OCC)CC2)CC1	ZINC000931700151	1004426604	/nfs/dbraw/zinc/42/66/04/1004426604.db2.gz	LGEYGYQVRAZNRD-GNZRSQJKSA-N	1	0	367.486	1.072	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC([C@]2(C)COC(=O)N2)CC1	ZINC000932089297	1004763441	/nfs/dbraw/zinc/76/34/41/1004763441.db2.gz	KFCHVJPHUUMARE-XWIAVFTESA-N	1	0	350.463	1.640	20	30		FDEDRO
COc1ncc(NC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1C#N	ZINC000932516473	1004997227	/nfs/dbraw/zinc/99/72/27/1004997227.db2.gz	HKWBLFDSBAXMGU-MRXNPFEDSA-N	1	0	359.430	1.680	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CC(=O)NC3(C#N)CCC3)C[C@@H]2C1	ZINC000932722642	1005125691	/nfs/dbraw/zinc/12/56/91/1005125691.db2.gz	CYUBDDHJLMONLV-HUUCEWRRSA-N	1	0	362.474	1.738	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH+]1CCC(OC2CN(C(=O)OC(C)(C)C)C2)CC1	ZINC000932797104	1005183892	/nfs/dbraw/zinc/18/38/92/1005183892.db2.gz	BWQUGNDIIAOBKV-AWEZNQCLSA-N	1	0	367.490	1.777	20	30		FDEDRO
N#CC[C@H](NC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(F)(F)F	ZINC000932915858	1005242820	/nfs/dbraw/zinc/24/28/20/1005242820.db2.gz	PEGUVNCWNVEIQC-HOCLYGCPSA-N	1	0	370.375	1.767	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Nc1ccc(N2CCOCC2=O)c(C)c1	ZINC000933221807	1005517851	/nfs/dbraw/zinc/51/78/51/1005517851.db2.gz	RRRFFOSDNKUJBX-UHFFFAOYSA-N	1	0	358.442	1.435	20	30		FDEDRO
COc1ccc(C[C@](C)(CO)[NH2+]CC(=O)NCc2ccc(C#N)cc2)cc1	ZINC000933424676	1005555655	/nfs/dbraw/zinc/55/56/55/1005555655.db2.gz	BGSZIWZNOYBMBS-OAQYLSRUSA-N	1	0	367.449	1.766	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H]1CCCc2ccccc2C1)C1CC[NH+](C)CC1	ZINC000933455377	1005561018	/nfs/dbraw/zinc/56/10/18/1005561018.db2.gz	OPFFUTKIVKDCNF-IBGZPJMESA-N	1	0	367.493	1.606	20	30		FDEDRO
Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCO[C@](C)(C#N)C2)CC1	ZINC000933597114	1005586816	/nfs/dbraw/zinc/58/68/16/1005586816.db2.gz	KGYPHFQRTGRDHP-OAQYLSRUSA-N	1	0	370.497	1.690	20	30		FDEDRO
C=CCn1cc2ccc(NC(=O)N3CC[N@H+](C)C[C@H](C(=O)OC)C3)cc2n1	ZINC000933676102	1005605862	/nfs/dbraw/zinc/60/58/62/1005605862.db2.gz	PMUFHHOPHMVBIE-HNNXBMFYSA-N	1	0	371.441	1.791	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCC[C@@H]1CCC(F)(F)C1)C1CC[NH+](C)CC1	ZINC000933805024	1005638204	/nfs/dbraw/zinc/63/82/04/1005638204.db2.gz	GALCEJZSWMXHID-AWEZNQCLSA-N	1	0	355.429	1.484	20	30		FDEDRO
COC(=O)C1([C@@]2(O)CCC[N@H+](C[C@@H](O)CC3(C#N)CCC3)C2)CCC1	ZINC000933832590	1005643463	/nfs/dbraw/zinc/64/34/63/1005643463.db2.gz	JYLMMKWAOCPEDW-HNAYVOBHSA-N	1	0	350.459	1.601	20	30		FDEDRO
N#Cc1cccc(-c2nnc(CN3CC[C@H]4[C@H]3CCC[N@H+]4CCO)o2)c1	ZINC000934257957	1005723092	/nfs/dbraw/zinc/72/30/92/1005723092.db2.gz	DHSWRFIUNZNLSM-SJORKVTESA-N	1	0	353.426	1.639	20	30		FDEDRO
Cc1oc(NC(=O)[C@H](C)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c(C#N)c1C	ZINC000934265469	1005725175	/nfs/dbraw/zinc/72/51/75/1005725175.db2.gz	SYQQTMMBGWTQBE-IAOVAPTHSA-N	1	0	360.458	1.626	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCNS(=O)(=O)CC	ZINC001111072662	1005731998	/nfs/dbraw/zinc/73/19/98/1005731998.db2.gz	QPASLUSYPQNTHB-KFWWJZLASA-N	1	0	357.520	1.250	20	30		FDEDRO
C=CC[C@H]1CC[N@H+]1[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000934466750	1005749450	/nfs/dbraw/zinc/74/94/50/1005749450.db2.gz	MFHJTPRGSGPQJV-ZFWWWQNUSA-N	1	0	351.472	1.032	20	30		FDEDRO
C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000934467692	1005749561	/nfs/dbraw/zinc/74/95/61/1005749561.db2.gz	YPTMRYWETABEGV-KCQAQPDRSA-N	1	0	351.472	1.550	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c1	ZINC000935316026	1005889443	/nfs/dbraw/zinc/88/94/43/1005889443.db2.gz	OQIBXDOUIZZPPR-HNNXBMFYSA-N	1	0	360.479	1.864	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)c1cccnc1)C2	ZINC001111102474	1005952877	/nfs/dbraw/zinc/95/28/77/1005952877.db2.gz	FHAQTUOIGRTAKL-DDBAPUKQSA-N	1	0	356.470	1.599	20	30		FDEDRO
CC(=O)NCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(C#N)c1	ZINC001111131001	1006345220	/nfs/dbraw/zinc/34/52/20/1006345220.db2.gz	SGVRNAKOCMFSGH-QRVBRYPASA-N	1	0	368.481	1.942	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3cnnc3)cc1)C2	ZINC001111142389	1006425082	/nfs/dbraw/zinc/42/50/82/1006425082.db2.gz	BQVLEZTZLXFLQC-QRVBRYPASA-N	1	0	367.453	1.805	20	30		FDEDRO
CC[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N[C@H]1CCCN(c2ncccn2)C1	ZINC000246117022	1006429603	/nfs/dbraw/zinc/42/96/03/1006429603.db2.gz	UHDDYRGTXJHOEY-ZWOKBUDYSA-N	1	0	374.533	1.942	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)CCC(C)C)C2	ZINC001111160052	1006532532	/nfs/dbraw/zinc/53/25/32/1006532532.db2.gz	CBNRFJMASYBBOM-ZACQAIPSSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1	ZINC000954393694	1006688506	/nfs/dbraw/zinc/68/85/06/1006688506.db2.gz	DUBOORINOBQFOS-BZSNNMDCSA-N	1	0	363.502	1.510	20	30		FDEDRO
CC[NH+]=C(NCc1cccc(Cl)c1)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000155814505	1006727551	/nfs/dbraw/zinc/72/75/51/1006727551.db2.gz	RDWNGDQNEATJEB-UHFFFAOYSA-N	1	0	374.876	1.888	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(C)cc1)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000155855241	1006733579	/nfs/dbraw/zinc/73/35/79/1006733579.db2.gz	SLYFWAGJOKHWGA-UHFFFAOYSA-N	1	0	354.458	1.543	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCC[C@@]3(CCN(C(=O)C#CC4CC4)C3)C2)CC[N@@H+]1C	ZINC000956558171	1006768099	/nfs/dbraw/zinc/76/80/99/1006768099.db2.gz	YHWLHOURGLURBO-JUXOCIIHSA-N	1	0	371.525	1.971	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C[C@H]3CCOC3)nn1)C2	ZINC001111198106	1006817805	/nfs/dbraw/zinc/81/78/05/1006817805.db2.gz	IYKCOSDAIZETJC-KONPQCLYSA-N	1	0	359.474	1.616	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)NC(=O)C1(C)C)C2	ZINC001111226474	1006962494	/nfs/dbraw/zinc/96/24/94/1006962494.db2.gz	GRKOYVISIRVWOR-YJNKXOJESA-N	1	0	362.474	1.393	20	30		FDEDRO
C[NH+](C)Cc1cc(=O)n2c(n1)CN(C(=O)Nc1cccc(C#N)c1)CCC2	ZINC001202782534	1007134548	/nfs/dbraw/zinc/13/45/48/1007134548.db2.gz	GNOFPOCIFNTKSL-UHFFFAOYSA-N	1	0	366.425	1.614	20	30		FDEDRO
COCCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1	ZINC001111250443	1007182202	/nfs/dbraw/zinc/18/22/02/1007182202.db2.gz	DFCAMMSEKPCXNG-QRVBRYPASA-N	1	0	357.454	1.833	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(C(=O)NCC(F)(F)F)CC1	ZINC000642099018	1007313861	/nfs/dbraw/zinc/31/38/61/1007313861.db2.gz	PWBLVNHBXDXGJN-ZDUSSCGKSA-N	1	0	361.408	1.966	20	30		FDEDRO
N#Cc1cccn(CN2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)c1=O	ZINC000795659383	1007540973	/nfs/dbraw/zinc/54/09/73/1007540973.db2.gz	YCFZGFRSPVKOSV-LBPRGKRZSA-N	1	0	356.348	1.458	20	30		FDEDRO
C[C@@]12C[NH+](CC#Cc3ccc(OC(F)(F)F)cc3)C[C@@]1(C)C(=O)NC2=O	ZINC000639948521	1007654092	/nfs/dbraw/zinc/65/40/92/1007654092.db2.gz	IFZVJYLWVOPAIW-IRXDYDNUSA-N	1	0	366.339	1.921	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C	ZINC000957074427	1007660494	/nfs/dbraw/zinc/66/04/94/1007660494.db2.gz	DHIMUAZOPLCLOL-BRWVUGGUSA-N	1	0	358.486	1.593	20	30		FDEDRO
CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C#N)cn1	ZINC000188127783	1007707621	/nfs/dbraw/zinc/70/76/21/1007707621.db2.gz	IKVYWPXTIARDHV-HXUWFJFHSA-N	1	0	350.422	1.662	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC000955975475	1007734299	/nfs/dbraw/zinc/73/42/99/1007734299.db2.gz	OJONASHMCWDGIG-YESZJQIVSA-N	1	0	357.458	1.337	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@]34CC[N@H+](C3)CCC4)C2)cn1	ZINC000957467761	1008315597	/nfs/dbraw/zinc/31/55/97/1008315597.db2.gz	AIITXCIMVOKZNR-FPDPHYFHSA-N	1	0	366.465	1.126	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C	ZINC000950003827	1008633840	/nfs/dbraw/zinc/63/38/40/1008633840.db2.gz	PQVAGJXTRNEOEE-NUJGCVRESA-N	1	0	360.502	1.837	20	30		FDEDRO
C=CCOc1cc(OC)ccc1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C	ZINC000649071597	1008863196	/nfs/dbraw/zinc/86/31/96/1008863196.db2.gz	NNKKEUXGBAGNDA-CQSZACIVSA-N	1	0	361.442	1.452	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)CC1CC[NH+](C)CC1	ZINC000950217281	1008869181	/nfs/dbraw/zinc/86/91/81/1008869181.db2.gz	ZLRRSBZCNJPWNR-LNLFQRSKSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCCC[N@H+]3CC)C2)c1	ZINC000958715230	1008986312	/nfs/dbraw/zinc/98/63/12/1008986312.db2.gz	RGASISFOVYKDBO-LZQZEXGQSA-N	1	0	368.481	1.514	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2cccc(C#N)c2)C1	ZINC000960010265	1009306079	/nfs/dbraw/zinc/30/60/79/1009306079.db2.gz	IGAHZMYCSGWIAS-AYOQOUSVSA-N	1	0	368.481	1.944	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC000960132983	1009567868	/nfs/dbraw/zinc/56/78/68/1009567868.db2.gz	ACSPYFUFAVVWEP-OTWHNJEPSA-N	1	0	368.481	1.753	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCC(=O)NCc2ccco2)cc1OC	ZINC000303769492	1009571893	/nfs/dbraw/zinc/57/18/93/1009571893.db2.gz	BBEJJOHYOGAAOX-UHFFFAOYSA-N	1	0	360.414	1.060	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCCCN2CCCCCC2=O)cc1OC	ZINC000303777888	1009577661	/nfs/dbraw/zinc/57/76/61/1009577661.db2.gz	JDURZHVMJIMWDX-UHFFFAOYSA-N	1	0	362.474	1.901	20	30		FDEDRO
C=C1CC(C)(C(=O)N(C)[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@@H]2O)C1	ZINC000958952030	1009871224	/nfs/dbraw/zinc/87/12/24/1009871224.db2.gz	PHWPDFHUVHGJBJ-YVSFHVDLSA-N	1	0	363.502	1.103	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000950986783	1010221212	/nfs/dbraw/zinc/22/12/12/1010221212.db2.gz	HHFPNOGDKGSWFZ-IXDOHACOSA-N	1	0	358.486	1.735	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC34CCCC4)C[C@H]2C)CC1	ZINC000959632033	1010237335	/nfs/dbraw/zinc/23/73/35/1010237335.db2.gz	UHNBGZIJHXCIKY-BHIYHBOVSA-N	1	0	371.525	1.875	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3OCCN(C(=O)C[N@@H+](C)C4CCC4)[C@H]3C2)C1	ZINC000960534907	1010339882	/nfs/dbraw/zinc/33/98/82/1010339882.db2.gz	ONYRFGRABKUGFR-DLBZAZTESA-N	1	0	361.486	1.265	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC000959656286	1010381715	/nfs/dbraw/zinc/38/17/15/1010381715.db2.gz	RVOHSVPWRLQNMW-CZUORRHYSA-N	1	0	357.458	1.195	20	30		FDEDRO
CCc1cccc2c(CCNC(=[NH2+])NCCCN3CCOCC3)c[nH]c21	ZINC000304740138	1010476973	/nfs/dbraw/zinc/47/69/73/1010476973.db2.gz	BNQSLAHBYMRACO-UHFFFAOYSA-N	1	0	357.502	1.899	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCCOc1ccccc1C(F)(F)F	ZINC000304764850	1010489934	/nfs/dbraw/zinc/48/99/34/1010489934.db2.gz	YNUMROFZDYPMFN-UHFFFAOYSA-N	1	0	374.407	1.711	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC(=O)N1CCOCC1)C2	ZINC001111362087	1010710801	/nfs/dbraw/zinc/71/08/01/1010710801.db2.gz	MKHVPKZEKBVUDT-TVFCKZIOSA-N	1	0	363.502	1.702	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)cn1	ZINC000951386196	1010806716	/nfs/dbraw/zinc/80/67/16/1010806716.db2.gz	XCHFRZFYQQJGIV-OKZBNKHCSA-N	1	0	354.454	1.124	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cn1	ZINC000951494194	1010883180	/nfs/dbraw/zinc/88/31/80/1010883180.db2.gz	JKRQNHDDKCRZGB-GBESFXJTSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000951510059	1010905020	/nfs/dbraw/zinc/90/50/20/1010905020.db2.gz	CYGASTVUSUYKIW-LSTHTHJFSA-N	1	0	367.493	1.658	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000951510060	1010905155	/nfs/dbraw/zinc/90/51/55/1010905155.db2.gz	CYGASTVUSUYKIW-NSISKUIASA-N	1	0	367.493	1.658	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(=O)n(CCC)n1)C2	ZINC001111384049	1010992428	/nfs/dbraw/zinc/99/24/28/1010992428.db2.gz	QOXKSZGHOYQSRN-OIISXLGYSA-N	1	0	360.458	1.191	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2cccc(C(N)=O)c2)C1	ZINC000962415186	1011243852	/nfs/dbraw/zinc/24/38/52/1011243852.db2.gz	BIHRKBNSNKXJEZ-FYOYPEGLSA-N	1	0	371.481	1.751	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)c(=O)[nH]c1=O)C2	ZINC001111400552	1011759669	/nfs/dbraw/zinc/75/96/69/1011759669.db2.gz	FVRIKDJHXOXWKO-BMFZPTHFSA-N	1	0	360.458	1.567	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2CCNC2=O)cc1	ZINC001095854312	1011892385	/nfs/dbraw/zinc/89/23/85/1011892385.db2.gz	WRCDLWVUXXRBEV-SQNIBIBYSA-N	1	0	352.438	1.028	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@H]3C2)cc1	ZINC000961667282	1012721059	/nfs/dbraw/zinc/72/10/59/1012721059.db2.gz	YOSXLCGSETVKHU-GEALJGNFSA-N	1	0	365.477	1.539	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1	ZINC000963810622	1012723712	/nfs/dbraw/zinc/72/37/12/1012723712.db2.gz	CXBPWDAASJWLQH-CVEARBPZSA-N	1	0	365.518	1.541	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)c3c[nH]c(C#N)c3)CC2)CC[N@@H+]1C	ZINC000953885391	1012731071	/nfs/dbraw/zinc/73/10/71/1012731071.db2.gz	PZANHTGBMULKOS-CXAGYDPISA-N	1	0	357.458	1.290	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]21	ZINC000963850778	1012781044	/nfs/dbraw/zinc/78/10/44/1012781044.db2.gz	TUEYIXRBUIPXBA-TZNCUMHOSA-N	1	0	361.486	1.121	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21	ZINC000961828415	1012899192	/nfs/dbraw/zinc/89/91/92/1012899192.db2.gz	XDLAEKPIFSXYPV-SLHNCBLASA-N	1	0	367.449	1.726	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2nnnn2C(C)C)C1	ZINC000961849173	1012940209	/nfs/dbraw/zinc/94/02/09/1012940209.db2.gz	WWKJBEPUFJTWHR-FJBKBRRZSA-N	1	0	362.478	1.220	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2nnc(C3CC3)[nH]2)C1	ZINC000961853509	1012945074	/nfs/dbraw/zinc/94/50/74/1012945074.db2.gz	PGBZBFBQTTUHHO-GDVJOBBMSA-N	1	0	359.474	1.648	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000953976536	1013003520	/nfs/dbraw/zinc/00/35/20/1013003520.db2.gz	SHNDHMAQTZUPQY-KURKYZTESA-N	1	0	363.502	1.511	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)C#CC4CC4)C[C@H]3CC2)CC[N@@H+]1C	ZINC000967351772	1017413311	/nfs/dbraw/zinc/41/33/11/1017413311.db2.gz	CWDOQPVPEOETAG-OQIJWPOYSA-N	1	0	357.498	1.437	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)NCC[NH+]3CCCCC3)C2=O)cc1	ZINC000191980026	178079111	/nfs/dbraw/zinc/07/91/11/178079111.db2.gz	HHTLTUZJYNHCQG-SFHVURJKSA-N	1	0	369.469	1.444	20	30		FDEDRO
C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)C2	ZINC000193066500	178145027	/nfs/dbraw/zinc/14/50/27/178145027.db2.gz	CQLIERKFBOTFLY-LSDHHAIUSA-N	1	0	357.458	1.748	20	30		FDEDRO
N#Cc1nnc2ccccc2c1N1CCC(O)(C[NH+]2CCOCC2)CC1	ZINC000509055567	538940734	/nfs/dbraw/zinc/94/07/34/538940734.db2.gz	HIOQKDGTNLRQJL-UHFFFAOYSA-N	1	0	353.426	1.165	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C	ZINC000245516370	178363292	/nfs/dbraw/zinc/36/32/92/178363292.db2.gz	FYCYOVCSSWQKIW-BXWFABGCSA-N	1	0	356.470	1.441	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2CCC)c1	ZINC000510985293	538958028	/nfs/dbraw/zinc/95/80/28/538958028.db2.gz	RBLYEIXZYSRJII-INIZCTEOSA-N	1	0	365.499	1.755	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+][C@](C)(CCO)COC)c(OC)c1	ZINC000267964548	674043884	/nfs/dbraw/zinc/04/38/84/674043884.db2.gz	UKBDIKJVQIMQIS-QFBILLFUSA-N	1	0	353.459	1.541	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CNC(=O)c2cc3c(s2)CCCC3)CC1	ZINC000518817760	539449695	/nfs/dbraw/zinc/44/96/95/539449695.db2.gz	FGUPHYRKKFVIAP-UHFFFAOYSA-N	1	0	360.483	1.461	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1	ZINC000519121235	539467041	/nfs/dbraw/zinc/46/70/41/539467041.db2.gz	MAVJMMQPMOAALR-DOTOQJQBSA-N	1	0	367.457	1.193	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)c(OC)n1	ZINC000521995551	539526294	/nfs/dbraw/zinc/52/62/94/539526294.db2.gz	ISIHKRVQFUXUGV-INIZCTEOSA-N	1	0	357.410	1.694	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2nnc3ccc(C(F)(F)F)cn32)CC1	ZINC000057141951	210071823	/nfs/dbraw/zinc/07/18/23/210071823.db2.gz	SRSZDNPSJOEROH-UHFFFAOYSA-N	1	0	365.359	1.710	20	30		FDEDRO
CC(C)NC(=O)NCc1ccc(C(=O)NC2(C#N)CC[NH+](C)CC2)cc1	ZINC000524686304	539656750	/nfs/dbraw/zinc/65/67/50/539656750.db2.gz	KOYXBMSALUXZJF-UHFFFAOYSA-N	1	0	357.458	1.612	20	30		FDEDRO
C[N@@H+]1CCCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1	ZINC000525861537	539690759	/nfs/dbraw/zinc/69/07/59/539690759.db2.gz	LRIQKXANBHEXFG-UHFFFAOYSA-N	1	0	357.458	1.990	20	30		FDEDRO
CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N(CCC#N)C(C)C)c2)CC1	ZINC000525863130	539691031	/nfs/dbraw/zinc/69/10/31/539691031.db2.gz	HKFVTSYTHNHDJL-UHFFFAOYSA-N	1	0	371.485	1.918	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000268203969	180024201	/nfs/dbraw/zinc/02/42/01/180024201.db2.gz	YBKRKGUNTKXXFB-WMLDXEAASA-N	1	0	354.458	1.268	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CC#CCN1C(=O)c2ccccc2C1=O	ZINC000528466342	539758253	/nfs/dbraw/zinc/75/82/53/539758253.db2.gz	OGVZHPVRWDWRBR-MRXNPFEDSA-N	1	0	369.465	1.063	20	30		FDEDRO
CS(=O)(=O)N1CC[C@H](C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)C1	ZINC000528785546	539784360	/nfs/dbraw/zinc/78/43/60/539784360.db2.gz	UGHYYQIRSXTMPW-MRXNPFEDSA-N	1	0	363.483	1.435	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2ccc(Cl)cc2C#N)CC1	ZINC000269753224	180379576	/nfs/dbraw/zinc/37/95/76/180379576.db2.gz	AIQPIYFSKPBTSQ-UHFFFAOYSA-N	1	0	371.890	1.725	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCN2C2CCCCC2)nc1	ZINC000530236408	539916545	/nfs/dbraw/zinc/91/65/45/539916545.db2.gz	OAFWRMBNXQPXHV-QGZVFWFLSA-N	1	0	362.499	1.724	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]C1CCN(CC(F)(F)F)CC1	ZINC000530232378	539916642	/nfs/dbraw/zinc/91/66/42/539916642.db2.gz	ZGURAKURQAAVSV-HNNXBMFYSA-N	1	0	357.376	1.914	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]C1CCN(c2ccccn2)CC1	ZINC000530230448	539915633	/nfs/dbraw/zinc/91/56/33/539915633.db2.gz	GCPJOHAATPNICT-SFHVURJKSA-N	1	0	352.438	1.952	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCN(Cc2ccccc2)C1=O	ZINC000530232324	539915872	/nfs/dbraw/zinc/91/58/72/539915872.db2.gz	YBUXFTCOBCBXMX-MOPGFXCFSA-N	1	0	365.433	1.689	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H]1CC[C@H](C(N)=O)O1)C(C)C	ZINC000268448519	674089310	/nfs/dbraw/zinc/08/93/10/674089310.db2.gz	LXNOEJBEQBVBSZ-BZUAXINKSA-N	1	0	352.479	1.017	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)Cc2cccc(C#N)c2)C[C@H]1[NH+]1CCCC1	ZINC000274822956	181171620	/nfs/dbraw/zinc/17/16/20/181171620.db2.gz	QNIKHEZVEZOCLT-SJORKVTESA-N	1	0	365.524	1.900	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)n(CCC#N)n1	ZINC000532600263	540175888	/nfs/dbraw/zinc/17/58/88/540175888.db2.gz	BXCOSSGDFQWIGD-ZFWWWQNUSA-N	1	0	360.462	1.280	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)n(CCC#N)n1	ZINC000532600261	540175911	/nfs/dbraw/zinc/17/59/11/540175911.db2.gz	BXCOSSGDFQWIGD-HIFRSBDPSA-N	1	0	360.462	1.280	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)[C@@H]1OC	ZINC000275193160	181258682	/nfs/dbraw/zinc/25/86/82/181258682.db2.gz	FUGUCJBNACFEGI-OTWHNJEPSA-N	1	0	374.485	1.824	20	30		FDEDRO
C=CCNC(=O)c1ccc(N2CCN(c3cc[nH+]cc3OC)CC2)nc1	ZINC000481052605	538871365	/nfs/dbraw/zinc/87/13/65/538871365.db2.gz	DIOHLJSMKSXYRE-UHFFFAOYSA-N	1	0	353.426	1.728	20	30		FDEDRO
C[C@@H](C#N)CN(CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CC1	ZINC000533596256	540270247	/nfs/dbraw/zinc/27/02/47/540270247.db2.gz	GMQBJHXKBVWYSF-KRWDZBQOSA-N	1	0	362.518	1.762	20	30		FDEDRO
Cc1nn(C)c2nc(C3CC3)cc(C(=O)NC3(C#N)CC[NH+](C)CC3)c12	ZINC000534236723	540337739	/nfs/dbraw/zinc/33/77/39/540337739.db2.gz	BFVWPKGBLORNGK-UHFFFAOYSA-N	1	0	352.442	1.872	20	30		FDEDRO
N#CCCSc1ccccc1NC(=O)C(=O)NCCNc1cc[nH+]cc1	ZINC000536016371	540539024	/nfs/dbraw/zinc/53/90/24/540539024.db2.gz	CCVFCNGIBKIFGE-UHFFFAOYSA-N	1	0	369.450	1.676	20	30		FDEDRO
CC[C@H]([NH2+][C@H](C)C(=O)N(C)CCC#N)c1ccccc1OCC(=O)N(C)C	ZINC000537051567	540678933	/nfs/dbraw/zinc/67/89/33/540678933.db2.gz	ZPSKVNPATPSECI-WBVHZDCISA-N	1	0	374.485	1.955	20	30		FDEDRO
COC1CC[NH+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1	ZINC000537259205	540707624	/nfs/dbraw/zinc/70/76/24/540707624.db2.gz	PJLMXAOBTLLHJY-INIZCTEOSA-N	1	0	362.499	1.568	20	30		FDEDRO
CCC(CC)(C[NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C(=O)OC	ZINC000538139820	540815810	/nfs/dbraw/zinc/81/58/10/540815810.db2.gz	YBQVKWAJIXHHER-INIZCTEOSA-N	1	0	366.506	1.248	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)CC1	ZINC000538277680	540836397	/nfs/dbraw/zinc/83/63/97/540836397.db2.gz	VDGFEXGIBFXABC-MJGOQNOKSA-N	1	0	374.533	1.789	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)C[C@H]1[NH+]1CCCC1	ZINC000275433307	181317019	/nfs/dbraw/zinc/31/70/19/181317019.db2.gz	FMTVLRWONOSOHM-HUUCEWRRSA-N	1	0	369.487	1.898	20	30		FDEDRO
C[C@@H]1C[N@H+](C)CCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000539452006	540961795	/nfs/dbraw/zinc/96/17/95/540961795.db2.gz	JLJAPZIXZNXXSZ-CVEARBPZSA-N	1	0	361.515	1.093	20	30		FDEDRO
C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)n1cnc(C#N)n1	ZINC000539741979	540987000	/nfs/dbraw/zinc/98/70/00/540987000.db2.gz	ULAUDNIWWAWXSY-CQSZACIVSA-N	1	0	351.414	1.173	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OCCO)c(OC)c1	ZINC000540375914	541051656	/nfs/dbraw/zinc/05/16/56/541051656.db2.gz	MFNJMLOBQZIPIE-CHWSQXEVSA-N	1	0	365.430	1.117	20	30		FDEDRO
C=CC[C@@H](CO)CNC(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1	ZINC000540389341	541053474	/nfs/dbraw/zinc/05/34/74/541053474.db2.gz	JKOITKNKJLRQGV-QGZVFWFLSA-N	1	0	361.490	1.207	20	30		FDEDRO
COc1ccc(C[N@@H+]2CCCN(C(=O)CN(CC#N)C3CC3)CC2)cc1	ZINC000540547736	541073385	/nfs/dbraw/zinc/07/33/85/541073385.db2.gz	NSUMYBLFDTUGJM-UHFFFAOYSA-N	1	0	356.470	1.717	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000934265863	781944902	/nfs/dbraw/zinc/94/49/02/781944902.db2.gz	XLMPTBGRHFIWDD-RLLQIKCJSA-N	1	0	370.497	1.853	20	30		FDEDRO
CCCC[NH+]1CCC(NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC1	ZINC000540971324	541127225	/nfs/dbraw/zinc/12/72/25/541127225.db2.gz	HJMMQZGFEYZSMI-UHFFFAOYSA-N	1	0	361.494	1.702	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N(C)CC(C)(C)C[NH3+])ccc1F	ZINC000269186351	674107518	/nfs/dbraw/zinc/10/75/18/674107518.db2.gz	GBHQQLVPFRQERM-UHFFFAOYSA-N	1	0	357.451	1.347	20	30		FDEDRO
C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N(C)CCCc1[nH]nc(N)c1C#N	ZINC000541900545	541293889	/nfs/dbraw/zinc/29/38/89/541293889.db2.gz	KPTKNGHRHYEHLN-KBPBESRZSA-N	1	0	361.494	1.700	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C[NH2+]CC2CC2)cc1	ZINC000269263551	674108439	/nfs/dbraw/zinc/10/84/39/674108439.db2.gz	SNCCRGPBQLFQAR-SILNSSARSA-N	1	0	364.471	1.438	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1	ZINC000543691346	541637278	/nfs/dbraw/zinc/63/72/78/541637278.db2.gz	QTUOVNQYVSEKSY-MRXNPFEDSA-N	1	0	360.845	1.590	20	30		FDEDRO
CC[NH+](CC)CCOCCNS(=O)(=O)c1cccc(Cl)c1C#N	ZINC000543686546	541635794	/nfs/dbraw/zinc/63/57/94/541635794.db2.gz	UMYCWTOGQHCEQB-UHFFFAOYSA-N	1	0	359.879	1.848	20	30		FDEDRO
COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCC(C)(C#N)CC1	ZINC000543733323	541648343	/nfs/dbraw/zinc/64/83/43/541648343.db2.gz	VKNWVZYTYXVXNH-UHFFFAOYSA-N	1	0	358.442	1.848	20	30		FDEDRO
C[C@H](CC[NH+](C)C)NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000277173872	181731922	/nfs/dbraw/zinc/73/19/22/181731922.db2.gz	JJBWFCIIYSPIEL-PBHICJAKSA-N	1	0	357.458	1.299	20	30		FDEDRO
N#Cc1cccc(-n2ccc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)n2)c1	ZINC000282914256	182075548	/nfs/dbraw/zinc/07/55/48/182075548.db2.gz	XLEGSNUNEUNGPM-KRWDZBQOSA-N	1	0	353.426	1.321	20	30		FDEDRO
C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NCc2cccc(C#N)c2)C1	ZINC000283510905	182202597	/nfs/dbraw/zinc/20/25/97/182202597.db2.gz	BPNWHIXRCHVHDT-MRXNPFEDSA-N	1	0	356.470	1.803	20	30		FDEDRO
Cc1ccc([C@H](CNC(=O)C(=O)NCc2cccc(C#N)c2)[NH+](C)C)cc1	ZINC000284143920	182377909	/nfs/dbraw/zinc/37/79/09/182377909.db2.gz	WTICCYGMBIFPIV-IBGZPJMESA-N	1	0	364.449	1.902	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1)C[NH+]1CCCCC1	ZINC000284149442	182379181	/nfs/dbraw/zinc/37/91/81/182379181.db2.gz	XECFIPFWVHFNKW-CVEARBPZSA-N	1	0	356.470	1.974	20	30		FDEDRO
C[C@@H](NC(=O)N1CCN(c2cccc(C#N)n2)CC1)C1=CC[N@H+](C)CC1	ZINC000545480248	541982390	/nfs/dbraw/zinc/98/23/90/541982390.db2.gz	FMDJGCJXPSSKQP-OAHLLOKOSA-N	1	0	354.458	1.435	20	30		FDEDRO
C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1	ZINC000545868846	542033177	/nfs/dbraw/zinc/03/31/77/542033177.db2.gz	CWGYETOHBBCHRI-GOSISDBHSA-N	1	0	371.466	1.794	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1	ZINC000545906024	542046025	/nfs/dbraw/zinc/04/60/25/542046025.db2.gz	PJEDDHGNRBLONC-INIZCTEOSA-N	1	0	367.457	2.253	20	30		FDEDRO
COc1cc(C[NH2+]CCn2cnc(C#N)n2)ccc1OCc1ccncc1	ZINC000285537481	182836860	/nfs/dbraw/zinc/83/68/60/182836860.db2.gz	PQBUTGAUMZIFOJ-UHFFFAOYSA-N	1	0	364.409	1.922	20	30		FDEDRO
CCO[C@H]1COCC[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000546159534	542112249	/nfs/dbraw/zinc/11/22/49/542112249.db2.gz	SKTZNJLFYVGQIL-OALUTQOASA-N	1	0	374.485	1.825	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)CCSC1	ZINC000546187647	542119176	/nfs/dbraw/zinc/11/91/76/542119176.db2.gz	KTEJODVHJHPZKU-SFHVURJKSA-N	1	0	374.514	1.222	20	30		FDEDRO
CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)c1c[nH]c(C#N)c1	ZINC000286441363	183066745	/nfs/dbraw/zinc/06/67/45/183066745.db2.gz	LUPQKHSGPOUZRV-UHFFFAOYSA-N	1	0	351.454	1.776	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1	ZINC000286529470	183088588	/nfs/dbraw/zinc/08/85/88/183088588.db2.gz	YBXSVKSJQYHKMR-HOTGVXAUSA-N	1	0	360.433	1.361	20	30		FDEDRO
CC[C@H]1CN(C(=O)NCCn2cnc(C#N)n2)CC[N@@H+]1Cc1ccccc1	ZINC000286653777	183120250	/nfs/dbraw/zinc/12/02/50/183120250.db2.gz	ABAFXVDQFKWWRI-KRWDZBQOSA-N	1	0	367.457	1.456	20	30		FDEDRO
C[C@H](O)CN1CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1	ZINC000286897880	183168719	/nfs/dbraw/zinc/16/87/19/183168719.db2.gz	XVHKBVDSNUGUBV-HNNXBMFYSA-N	1	0	374.460	1.439	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)o1	ZINC000287739874	183371344	/nfs/dbraw/zinc/37/13/44/183371344.db2.gz	HVCCQJJTKSFPDQ-LSDHHAIUSA-N	1	0	353.444	1.197	20	30		FDEDRO
CC(C)(C[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1)C(N)=O	ZINC000295498780	184077812	/nfs/dbraw/zinc/07/78/12/184077812.db2.gz	HGDRBCHRWQUZRE-KRWDZBQOSA-N	1	0	356.470	1.788	20	30		FDEDRO
CC(C)[C@H]1CCc2c(C#N)c(NC(=O)C(=O)NCC[NH+](C)C)sc2C1	ZINC000296449939	184167829	/nfs/dbraw/zinc/16/78/29/184167829.db2.gz	FWZXWQMCQCZYCQ-LBPRGKRZSA-N	1	0	362.499	1.997	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(c2ncc(Br)cc2C#N)CC1	ZINC000297187376	184243004	/nfs/dbraw/zinc/24/30/04/184243004.db2.gz	QJUVDBLXIWQJBD-UHFFFAOYSA-N	1	0	353.264	1.999	20	30		FDEDRO
Cn1ncc(CCCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1	ZINC000297251641	184250029	/nfs/dbraw/zinc/25/00/29/184250029.db2.gz	IKYUCCOYHYGCII-UHFFFAOYSA-N	1	0	369.473	1.393	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC(CC[NH+](C)C)CC1	ZINC000297771457	184326359	/nfs/dbraw/zinc/32/63/59/184326359.db2.gz	ILIJTLTXSSHHFK-UHFFFAOYSA-N	1	0	356.470	1.707	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1	ZINC000297967040	184365722	/nfs/dbraw/zinc/36/57/22/184365722.db2.gz	SYACKGWDFKAQEW-QZTJIDSGSA-N	1	0	354.454	1.459	20	30		FDEDRO
CCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1	ZINC000297994023	184370647	/nfs/dbraw/zinc/37/06/47/184370647.db2.gz	XGRVCMKTRSKEGU-CRAIPNDOSA-N	1	0	356.470	1.883	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](CNC(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1	ZINC000547312239	542309823	/nfs/dbraw/zinc/30/98/23/542309823.db2.gz	GYKVNBIZKIYWNQ-MRXNPFEDSA-N	1	0	367.457	2.301	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1	ZINC000184639659	177640246	/nfs/dbraw/zinc/64/02/46/177640246.db2.gz	VOQZKQTYSWTUAG-UHFFFAOYSA-N	1	0	369.429	1.371	20	30		FDEDRO
C[NH+](C)CCn1c2cc(NC(=O)c3cc(C#N)ccn3)ccc2oc1=O	ZINC000549755106	542931664	/nfs/dbraw/zinc/93/16/64/542931664.db2.gz	FZUGARGEWGMYLK-UHFFFAOYSA-N	1	0	351.366	1.675	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)NCCC[NH+]1CCCCC1	ZINC000550136074	543018891	/nfs/dbraw/zinc/01/88/91/543018891.db2.gz	XADWTLNBWWVXTM-UHFFFAOYSA-N	1	0	359.470	1.860	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnn2c1OCCC2	ZINC000550648661	543141634	/nfs/dbraw/zinc/14/16/34/543141634.db2.gz	CRWCZWWHJZGAIH-UHFFFAOYSA-N	1	0	353.426	1.741	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000551010146	543215196	/nfs/dbraw/zinc/21/51/96/543215196.db2.gz	MBAVVKJLUCSSFF-GOSISDBHSA-N	1	0	359.470	1.428	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1	ZINC000551388703	543278799	/nfs/dbraw/zinc/27/87/99/543278799.db2.gz	SBEFLFAGAIWBAR-UHFFFAOYSA-N	1	0	369.531	1.125	20	30		FDEDRO
CC(C)[NH+]1CCN([C@H]2CCN(C(=O)Cc3c(F)cccc3C#N)C2)CC1	ZINC000552355295	543455455	/nfs/dbraw/zinc/45/54/55/543455455.db2.gz	HDWDTUHDSJKTTP-KRWDZBQOSA-N	1	0	358.461	1.867	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)c2ccc(=O)n(-c3cccc(F)c3)c2)CC1	ZINC000552847208	543526811	/nfs/dbraw/zinc/52/68/11/543526811.db2.gz	OYGZNGVTGZQKIL-UHFFFAOYSA-N	1	0	354.385	1.694	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)CC1	ZINC000552918943	543536861	/nfs/dbraw/zinc/53/68/61/543536861.db2.gz	WREGJUQZYVXFCA-OAHLLOKOSA-N	1	0	357.520	1.493	20	30		FDEDRO
C[C@H](C(=O)NC[C@H]1CCCO1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000073350388	172061121	/nfs/dbraw/zinc/06/11/21/172061121.db2.gz	OBQQSQBVTAQCEO-YLJYHZDGSA-N	1	0	370.497	1.750	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)n1	ZINC000091249284	172282101	/nfs/dbraw/zinc/28/21/01/172282101.db2.gz	RKYAUEUAQILDFW-ZFWWWQNUSA-N	1	0	358.446	1.217	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)n1	ZINC000091249282	172282225	/nfs/dbraw/zinc/28/22/25/172282225.db2.gz	RKYAUEUAQILDFW-HIFRSBDPSA-N	1	0	358.446	1.217	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCc1cccc(C#N)c1	ZINC000102049596	172346107	/nfs/dbraw/zinc/34/61/07/172346107.db2.gz	SFAVDYUDAQIIIH-KRWDZBQOSA-N	1	0	357.458	1.300	20	30		FDEDRO
Cc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cn1	ZINC000126433834	173041685	/nfs/dbraw/zinc/04/16/85/173041685.db2.gz	HVOCTYMTIRWZIH-UHFFFAOYSA-N	1	0	365.437	1.791	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000127129273	173065297	/nfs/dbraw/zinc/06/52/97/173065297.db2.gz	XXZPJQNHXFSMDH-INIZCTEOSA-N	1	0	356.470	1.740	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)N2CCCN(c3ncccc3C#N)CC2)C[N@@H+]1C1CC1	ZINC000129988113	173156861	/nfs/dbraw/zinc/15/68/61/173156861.db2.gz	RVBKOWTYSYRAMP-NVXWUHKLSA-N	1	0	368.485	1.800	20	30		FDEDRO
C[NH+](C)CCOc1cc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)ccn1	ZINC000130778181	173180775	/nfs/dbraw/zinc/18/07/75/173180775.db2.gz	VQEMJFPSFVUSCV-UHFFFAOYSA-N	1	0	366.421	1.797	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3cccc(C)c3C#N)C2)CC1	ZINC000133075110	173253176	/nfs/dbraw/zinc/25/31/76/173253176.db2.gz	FGLAIUYDKTUFNV-INIZCTEOSA-N	1	0	362.499	1.267	20	30		FDEDRO
CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1	ZINC000134338085	173323175	/nfs/dbraw/zinc/32/31/75/173323175.db2.gz	UBNWWRNCHDLLBI-MRXNPFEDSA-N	1	0	364.471	1.289	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CC[NH+]1CCC(N2CCCNC2=O)CC1	ZINC000135448917	173344996	/nfs/dbraw/zinc/34/49/96/173344996.db2.gz	YBTVDZPUNMRMON-UHFFFAOYSA-N	1	0	355.442	1.767	20	30		FDEDRO
N#Cc1cccc(OCCC[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1	ZINC000135730021	173352365	/nfs/dbraw/zinc/35/23/65/173352365.db2.gz	IGGUCHYWTILVLU-GOSISDBHSA-N	1	0	363.483	1.827	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1	ZINC000175619650	174015559	/nfs/dbraw/zinc/01/55/59/174015559.db2.gz	IXAQAEVLYULXOW-OAHLLOKOSA-N	1	0	359.474	1.962	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000176871940	174091279	/nfs/dbraw/zinc/09/12/79/174091279.db2.gz	VKKSKJLYOOKFEW-SFHVURJKSA-N	1	0	370.501	1.763	20	30		FDEDRO
CCO[C@@H](CC[NH+](C)C)CNC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C	ZINC000176875617	174091626	/nfs/dbraw/zinc/09/16/26/174091626.db2.gz	JBGACISWUXIQBG-HNNXBMFYSA-N	1	0	362.474	1.269	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C	ZINC000177794102	258326765	/nfs/dbraw/zinc/32/67/65/258326765.db2.gz	ULXDZPLZBUAQLT-CVEARBPZSA-N	1	0	356.470	1.881	20	30		FDEDRO
CCC(=O)N1CC[C@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)C1	ZINC000178957796	258340901	/nfs/dbraw/zinc/34/09/01/258340901.db2.gz	ADOPXTPUQUVQQM-SFHVURJKSA-N	1	0	356.470	1.707	20	30		FDEDRO
C[N@@H+]1CC[C@H](NC(=O)CNC(=O)c2ccc(C#N)cc2)[C@@H]1c1ccccc1	ZINC000179221351	258346298	/nfs/dbraw/zinc/34/62/98/258346298.db2.gz	WNCKXKBNWQADPV-ICSRJNTNSA-N	1	0	362.433	1.850	20	30		FDEDRO
C[N@H+](Cc1ccccc1CNC(=O)NCC(=O)NCC#N)C1CCCCC1	ZINC000553474328	543643444	/nfs/dbraw/zinc/64/34/44/543643444.db2.gz	RAWYZCDUSOBCBG-UHFFFAOYSA-N	1	0	371.485	1.890	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(C#N)CC2)CC[N@@H+]1Cc1ccccc1	ZINC000553528153	543651999	/nfs/dbraw/zinc/65/19/99/543651999.db2.gz	NLWPFYXJZUNUIC-VQIMIIECSA-N	1	0	368.481	1.918	20	30		FDEDRO
N#Cc1cnn2c1NC[C@H](C[NH2+][C@@H]1CC(=O)N(c3ccccc3Cl)C1)C2	ZINC000553527619	543652242	/nfs/dbraw/zinc/65/22/42/543652242.db2.gz	UYJYFWIULVIIGG-GXTWGEPZSA-N	1	0	370.844	1.845	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1	ZINC000553886416	543710998	/nfs/dbraw/zinc/71/09/98/543710998.db2.gz	JWQCGGRRWULFNV-CZUORRHYSA-N	1	0	356.467	1.744	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]C3CCN(C(=O)c4ccccc4)CC3)cnc12	ZINC000555551880	543971692	/nfs/dbraw/zinc/97/16/92/543971692.db2.gz	ASCFUFRYSBYKRV-UHFFFAOYSA-N	1	0	360.421	1.995	20	30		FDEDRO
N#Cc1c(NC(=O)CC[N@H+]2CC[C@H](CO)[C@@H](O)C2)sc2c1CCCC2	ZINC000555669756	544001316	/nfs/dbraw/zinc/00/13/16/544001316.db2.gz	KJTBSTPBEBEEIG-DOMZBBRYSA-N	1	0	363.483	1.502	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@]2(CO)CCOc3ccccc32)cc1	ZINC000281689263	258674313	/nfs/dbraw/zinc/67/43/13/258674313.db2.gz	MYYBIVPGGWQPHW-OXJNMPFZSA-N	1	0	354.406	1.558	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H](Cc1ccccc1)C(=O)OC	ZINC000556514330	544151738	/nfs/dbraw/zinc/15/17/38/544151738.db2.gz	BZLOBHRQBSUFCH-OFQRWUPVSA-N	1	0	361.442	1.397	20	30		FDEDRO
CC(C)(C)NS(=O)(=O)CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1	ZINC000556859290	544215430	/nfs/dbraw/zinc/21/54/30/544215430.db2.gz	RPCQYRWWBRBBFA-UHFFFAOYSA-N	1	0	364.515	1.835	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000556970021	544226408	/nfs/dbraw/zinc/22/64/08/544226408.db2.gz	QKAHHJIHCMCVAD-YJBOKZPZSA-N	1	0	369.469	1.979	20	30		FDEDRO
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCC[C@H]2CC[NH2+]C2)n1	ZINC000557002983	544232890	/nfs/dbraw/zinc/23/28/90/544232890.db2.gz	UHJOWYXTGBRKNP-GFCCVEGCSA-N	1	0	358.833	2.518	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)NC[C@H]3CCC[C@H]([NH3+])C3)CC2)c1C#N	ZINC000557233085	544267276	/nfs/dbraw/zinc/26/72/76/544267276.db2.gz	SCVBWQDOULKTDX-KBPBESRZSA-N	1	0	362.503	1.672	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000558210781	544400319	/nfs/dbraw/zinc/40/03/19/544400319.db2.gz	PEOFWRUXOZDFAN-MAUKXSAKSA-N	1	0	356.470	1.894	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(C#N)CC2)[C@H](C)C1	ZINC000558333033	544411252	/nfs/dbraw/zinc/41/12/52/544411252.db2.gz	SEHJODBJLKZYFV-WBVHZDCISA-N	1	0	364.490	1.002	20	30		FDEDRO
CC(=O)NCC[N@H+](CC(=O)NCc1cccc(C#N)c1)C1CCSCC1	ZINC000558864613	544544109	/nfs/dbraw/zinc/54/41/09/544544109.db2.gz	XHZGAJKEZLDDCS-UHFFFAOYSA-N	1	0	374.510	1.508	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)NCc1cccc(C#N)c1)Cc1ccccc1	ZINC000559412742	544676439	/nfs/dbraw/zinc/67/64/39/544676439.db2.gz	ULXJFDXOPHMFLG-LJQANCHMSA-N	1	0	364.449	1.464	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)CCC(C)(C)C#N	ZINC000559637344	544751898	/nfs/dbraw/zinc/75/18/98/544751898.db2.gz	OGKOXVQOMVXZDD-MRXNPFEDSA-N	1	0	358.552	1.604	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000329542088	259100855	/nfs/dbraw/zinc/10/08/55/259100855.db2.gz	DTNFMLVYWSBVCH-INIZCTEOSA-N	1	0	372.469	1.389	20	30		FDEDRO
CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1sccc1C#N	ZINC000330606577	259153045	/nfs/dbraw/zinc/15/30/45/259153045.db2.gz	KUBZBVSVZPDYEW-CHWSQXEVSA-N	1	0	370.500	1.398	20	30		FDEDRO
CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1sccc1C#N	ZINC000331186919	259180358	/nfs/dbraw/zinc/18/03/58/259180358.db2.gz	NUIZRFKHKGRVPI-VXGBXAGGSA-N	1	0	356.473	1.008	20	30		FDEDRO
C[C@H]([NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O)C(=O)Nc1cccc(C#N)c1	ZINC000331207830	259181261	/nfs/dbraw/zinc/18/12/61/259181261.db2.gz	ZDHYPRDGOIMFFK-VBNZEHGJSA-N	1	0	364.471	1.335	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000331797109	259220445	/nfs/dbraw/zinc/22/04/45/259220445.db2.gz	LPVWJXIXIMKSOS-INIZCTEOSA-N	1	0	355.442	1.542	20	30		FDEDRO
C[NH+](C)C1CCC(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1	ZINC000332505179	259271392	/nfs/dbraw/zinc/27/13/92/259271392.db2.gz	HWOJNNUWAUAACL-UHFFFAOYSA-N	1	0	356.474	1.658	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC1CCC([NH+](C)C)CC1	ZINC000332504192	259271729	/nfs/dbraw/zinc/27/17/29/259271729.db2.gz	HMBZHKJPKLGIPM-FHERZECASA-N	1	0	371.489	1.441	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CC[C@]4(CC[NH2+]C4)C3)C2=O)cc1	ZINC000333593880	259361605	/nfs/dbraw/zinc/36/16/05/259361605.db2.gz	OSIHFBDBJQYPIG-XLIONFOSSA-N	1	0	367.453	1.449	20	30		FDEDRO
C[C@@H](NC(=O)N1CCN(c2cccc(F)c2C#N)CC1)[C@H]1CCC[NH2+]C1	ZINC000333638934	259365270	/nfs/dbraw/zinc/36/52/70/259365270.db2.gz	HUGAWZGNAYVQQP-CABCVRRESA-N	1	0	359.449	1.917	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21	ZINC000333742905	259376645	/nfs/dbraw/zinc/37/66/45/259376645.db2.gz	XWIZERWDUMQNEX-CVEARBPZSA-N	1	0	361.467	1.256	20	30		FDEDRO
N#Cc1c(F)cccc1N1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1	ZINC000333893305	259390607	/nfs/dbraw/zinc/39/06/07/259390607.db2.gz	HKFPLMWEGIOAOE-OWCLPIDISA-N	1	0	371.460	1.917	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc1	ZINC000367318166	260025175	/nfs/dbraw/zinc/02/51/75/260025175.db2.gz	PNJJAGBHMOEXHL-WMZOPIPTSA-N	1	0	374.510	1.676	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)C[C@@H]21	ZINC000367587178	260065198	/nfs/dbraw/zinc/06/51/98/260065198.db2.gz	ZXCUDKXOUCBFPK-FZMZJTMJSA-N	1	0	350.400	1.181	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)C[C@H]21	ZINC000367587180	260065454	/nfs/dbraw/zinc/06/54/54/260065454.db2.gz	ZXCUDKXOUCBFPK-SMDDNHRTSA-N	1	0	350.400	1.181	20	30		FDEDRO
Cc1ccccc1C[N@@H+]1CCCN(C(=O)NCCn2cnc(C#N)n2)CC1	ZINC000367893754	260106898	/nfs/dbraw/zinc/10/68/98/260106898.db2.gz	ZNPYJAOUKJQWIC-UHFFFAOYSA-N	1	0	367.457	1.376	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)ccc1C(F)(F)F	ZINC000368322756	260166588	/nfs/dbraw/zinc/16/65/88/260166588.db2.gz	WDHFKPYAYWYRIW-ZDUSSCGKSA-N	1	0	359.373	1.997	20	30		FDEDRO
CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1	ZINC000368664069	260216617	/nfs/dbraw/zinc/21/66/17/260216617.db2.gz	UDOITTNPMYCDHB-OALUTQOASA-N	1	0	354.454	1.650	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@H]1CCO[C@@H]1C1CC1	ZINC000368904262	260258220	/nfs/dbraw/zinc/25/82/20/260258220.db2.gz	JATXASJBRRITSQ-FUHWJXTLSA-N	1	0	351.410	1.840	20	30		FDEDRO
N#Cc1ccc(SCC(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1	ZINC000368960354	260268234	/nfs/dbraw/zinc/26/82/34/260268234.db2.gz	KCEBNYUXIRGTAB-KRWDZBQOSA-N	1	0	372.494	1.591	20	30		FDEDRO
C[C@@H](CO)[N@@H+]1CCCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000368973141	260269646	/nfs/dbraw/zinc/26/96/46/260269646.db2.gz	IMCIJFUSDJKOIM-AWEZNQCLSA-N	1	0	364.877	1.929	20	30		FDEDRO
C[C@@H](CO)[N@@H+]1CCCN([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000368972546	260269943	/nfs/dbraw/zinc/26/99/43/260269943.db2.gz	FUAKXNFJJZOCFR-KBPBESRZSA-N	1	0	364.877	1.927	20	30		FDEDRO
C[N@H+](CCOc1cccc(C#N)c1)C1CCN(CC(=O)N2CCCC2)CC1	ZINC000369062682	260289829	/nfs/dbraw/zinc/28/98/29/260289829.db2.gz	IGQSGKMLFVNRIJ-UHFFFAOYSA-N	1	0	370.497	1.956	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)N1CCC(n2cnc(C#N)n2)CC1)c1cccs1	ZINC000369091111	260293516	/nfs/dbraw/zinc/29/35/16/260293516.db2.gz	HROJUCLTLYOTHX-CQSZACIVSA-N	1	0	373.486	1.861	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)cc1	ZINC000369181520	260308984	/nfs/dbraw/zinc/30/89/84/260308984.db2.gz	ZUJMXBNLGHTACB-ZWKOTPCHSA-N	1	0	357.454	1.775	20	30		FDEDRO
Cc1nc(C)n(C[C@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(C#N)cc2)n1	ZINC000369283344	260333764	/nfs/dbraw/zinc/33/37/64/260333764.db2.gz	NDTLUDZTOLBMCC-MSOLQXFVSA-N	1	0	355.442	1.671	20	30		FDEDRO
N#Cc1ncn(C2CC[NH+](CCC(=O)N3CCc4sccc4C3)CC2)n1	ZINC000369388990	260354012	/nfs/dbraw/zinc/35/40/12/260354012.db2.gz	KISGPXSTTFQDRB-UHFFFAOYSA-N	1	0	370.482	1.823	20	30		FDEDRO
COC(=O)[C@]12C[N@H+](CCC(=O)Nc3ccccc3C#N)C[C@H]1COCC2	ZINC000369548684	260388201	/nfs/dbraw/zinc/38/82/01/260388201.db2.gz	FYWYMHWENROENA-HNAYVOBHSA-N	1	0	357.410	1.398	20	30		FDEDRO
N#Cc1cc(F)c(N2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)c(F)c1	ZINC000373796389	261041432	/nfs/dbraw/zinc/04/14/32/261041432.db2.gz	UMCIPNVJVBAOTL-ZDUSSCGKSA-N	1	0	355.410	1.582	20	30		FDEDRO
CN(C1CC[NH+](C2CCOCC2)CC1)S(=O)(=O)c1ccc(C#N)s1	ZINC000373818936	261044315	/nfs/dbraw/zinc/04/43/15/261044315.db2.gz	IZFJYSRBNKGRRF-UHFFFAOYSA-N	1	0	369.512	1.884	20	30		FDEDRO
C[C@H]1CN(C(=O)NCCc2cccc(C#N)c2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000374193977	261091697	/nfs/dbraw/zinc/09/16/97/261091697.db2.gz	NZGJXCUGLHGXCC-PXNSSMCTSA-N	1	0	369.513	1.768	20	30		FDEDRO
C[C@H]1CN(C(=O)NCCc2cccc(C#N)c2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000374193976	261091973	/nfs/dbraw/zinc/09/19/73/261091973.db2.gz	NZGJXCUGLHGXCC-FXAWDEMLSA-N	1	0	369.513	1.768	20	30		FDEDRO
CO[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1	ZINC000374665248	261171293	/nfs/dbraw/zinc/17/12/93/261171293.db2.gz	QWZDKIWSCCMUGY-OAHLLOKOSA-N	1	0	361.446	1.004	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)C[C@H]21	ZINC000375033628	261253747	/nfs/dbraw/zinc/25/37/47/261253747.db2.gz	XAYATMDLOGQHLQ-CRAIPNDOSA-N	1	0	364.453	1.708	20	30		FDEDRO
C[C@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)n1cnc(C#N)n1	ZINC000409608948	262129236	/nfs/dbraw/zinc/12/92/36/262129236.db2.gz	SZMDKMWPEZBRJZ-CYBMUJFWSA-N	1	0	358.471	1.801	20	30		FDEDRO
COc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H](C)n2cnc(C#N)n2)c1	ZINC000409979947	262149283	/nfs/dbraw/zinc/14/92/83/262149283.db2.gz	YQRHQMIJGWYIKO-CQSZACIVSA-N	1	0	356.430	1.310	20	30		FDEDRO
C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1	ZINC000545168247	490090753	/nfs/dbraw/zinc/09/07/53/490090753.db2.gz	BACMUHLDBUUNGY-QGZVFWFLSA-N	1	0	358.377	1.071	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cnc(-c3cnn(C)c3)s2)c1C#N	ZINC000534790728	490409311	/nfs/dbraw/zinc/40/93/11/490409311.db2.gz	QEAUCUVIGONOCC-UHFFFAOYSA-N	1	0	370.442	1.543	20	30		FDEDRO
CCN(CC[NH+]1CCCCCC1)C(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000509828125	490469518	/nfs/dbraw/zinc/46/95/18/490469518.db2.gz	RZESICUMGNQEQK-UHFFFAOYSA-N	1	0	360.462	1.460	20	30		FDEDRO
C[N@H+](CCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)C1CC1	ZINC000513166143	490712172	/nfs/dbraw/zinc/71/21/72/490712172.db2.gz	PEEGQDZHHSWGGS-UHFFFAOYSA-N	1	0	370.388	1.032	20	30		FDEDRO
N#Cc1cc2c(nc1N[C@H]1CCC[N@H+](CCN3CCOCC3)C1)CCOC2	ZINC000603422780	492031770	/nfs/dbraw/zinc/03/17/70/492031770.db2.gz	ISCVPXSEBADTKG-SFHVURJKSA-N	1	0	371.485	1.234	20	30		FDEDRO
Cn1cc(C#N)c(NC(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)n1	ZINC000610563513	492252240	/nfs/dbraw/zinc/25/22/40/492252240.db2.gz	GYTUAFWUHKDPGB-QGZVFWFLSA-N	1	0	367.457	1.402	20	30		FDEDRO
C[C@H]1CN(C(=O)Nc2ccn(CCC#N)n2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000611201398	492281272	/nfs/dbraw/zinc/28/12/72/492281272.db2.gz	CNZXQPDEOYCQAT-JKSUJKDBSA-N	1	0	359.478	1.286	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1	ZINC000024769682	519013378	/nfs/dbraw/zinc/01/33/78/519013378.db2.gz	BHLMTQMWANZPNB-CYBMUJFWSA-N	1	0	374.441	1.443	20	30		FDEDRO
CCCS(=O)(=O)NC1CC[NH+](CCOc2ccc(C#N)cc2)CC1	ZINC000030132938	519346987	/nfs/dbraw/zinc/34/69/87/519346987.db2.gz	CPIOXGWERRWMPU-UHFFFAOYSA-N	1	0	351.472	1.731	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(NC(=O)C3CC3)CC2)cc1	ZINC000030538786	519374220	/nfs/dbraw/zinc/37/42/20/519374220.db2.gz	BVYUKCJWSVPIOK-SFHVURJKSA-N	1	0	357.454	1.483	20	30		FDEDRO
CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sccc1C#N	ZINC000030589565	519381747	/nfs/dbraw/zinc/38/17/47/519381747.db2.gz	UQCGRYWSPJZZTE-ZDUSSCGKSA-N	1	0	370.500	1.352	20	30		FDEDRO
CCOC(=O)NCCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000031225186	519419382	/nfs/dbraw/zinc/41/93/82/519419382.db2.gz	FQDZCFFXCCVEHF-UHFFFAOYSA-N	1	0	358.442	1.729	20	30		FDEDRO
C[NH+](C)Cc1cccc(CNC(=O)C(=O)Nc2cccc(OCC#N)c2)c1	ZINC000041876325	519670587	/nfs/dbraw/zinc/67/05/87/519670587.db2.gz	NQZDTZAONGVEOE-UHFFFAOYSA-N	1	0	366.421	1.905	20	30		FDEDRO
C[C@@H]1C[NH+](CC2CCN(S(=O)(=O)CCCCC#N)CC2)C[C@@H](C)O1	ZINC000068910825	521758015	/nfs/dbraw/zinc/75/80/15/521758015.db2.gz	PBOJWZMAXNGTOC-HZPDHXFCSA-N	1	0	357.520	1.831	20	30		FDEDRO
Cc1sc(=O)n(CC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1C	ZINC000056016020	521763682	/nfs/dbraw/zinc/76/36/82/521763682.db2.gz	AYDRIEQOKLMATR-UHFFFAOYSA-N	1	0	372.494	1.989	20	30		FDEDRO
CN(C)C(=O)CN1CCC([NH2+]Cc2ccc(N(C)CCC#N)cc2)CC1	ZINC000069025737	521784230	/nfs/dbraw/zinc/78/42/30/521784230.db2.gz	NDZYMNOIGDGTTP-UHFFFAOYSA-N	1	0	357.502	1.679	20	30		FDEDRO
CC[NH+](CC)CCNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000042845576	521789694	/nfs/dbraw/zinc/78/96/94/521789694.db2.gz	XVEMTMJBUIRHPG-UHFFFAOYSA-N	1	0	360.462	1.597	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+]C2(CO)CCOCC2)c(OC)c1	ZINC000069247795	521839419	/nfs/dbraw/zinc/83/94/19/521839419.db2.gz	DEFMZEKEIBYBHJ-MRXNPFEDSA-N	1	0	351.443	1.295	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCCNC(=O)NCc2ccc(OCC#N)cc2)C[C@H](C)O1	ZINC000069316884	521855702	/nfs/dbraw/zinc/85/57/02/521855702.db2.gz	FMCKPTGBIXLUQA-IYBDPMFKSA-N	1	0	360.458	1.887	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C(=O)N2CCCCC2)CC1	ZINC000043587060	521874144	/nfs/dbraw/zinc/87/41/44/521874144.db2.gz	VQISUZLZIITFJX-AWEZNQCLSA-N	1	0	350.463	1.111	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CN2CCOCC2)C1	ZINC000069857969	521962661	/nfs/dbraw/zinc/96/26/61/521962661.db2.gz	ALOYOQKSRDUPMX-SCTDSRPQSA-N	1	0	350.507	1.474	20	30		FDEDRO
CC[C@H](CNS(=O)(=O)N(C)CCC#N)[N@@H+]1CCc2ccccc2C1	ZINC000046802699	522357158	/nfs/dbraw/zinc/35/71/58/522357158.db2.gz	ARPLZWBHRJAQFI-QGZVFWFLSA-N	1	0	350.488	1.503	20	30		FDEDRO
CC[C@H](CO)[NH+]1CCN(CC(=O)N(CCC#N)c2ccc(C)c(C)c2)CC1	ZINC000072798160	522385159	/nfs/dbraw/zinc/38/51/59/522385159.db2.gz	FHYFSWMRSQBPCT-LJQANCHMSA-N	1	0	372.513	1.939	20	30		FDEDRO
CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC000072855440	522410331	/nfs/dbraw/zinc/41/03/31/522410331.db2.gz	SOWOTEQEIREAHP-INIZCTEOSA-N	1	0	358.442	1.908	20	30		FDEDRO
N#Cc1ccc(CN2CC[NH+](C[C@@H](O)COC[C@@H]3CCCO3)CC2)cc1	ZINC000073021440	522452724	/nfs/dbraw/zinc/45/27/24/522452724.db2.gz	FKBUFFVOXZYTNT-UXHICEINSA-N	1	0	359.470	1.232	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1	ZINC000073118921	522472066	/nfs/dbraw/zinc/47/20/66/522472066.db2.gz	DKZNYHHJEZOJMW-INIZCTEOSA-N	1	0	374.441	1.520	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCC[NH+]1CCCC1	ZINC000073573515	522549528	/nfs/dbraw/zinc/54/95/28/522549528.db2.gz	DIRHMPQHMPQFLG-UHFFFAOYSA-N	1	0	354.458	1.753	20	30		FDEDRO
N#Cc1cc([N+](=O)[O-])cnc1NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1	ZINC000073772012	522604509	/nfs/dbraw/zinc/60/45/09/522604509.db2.gz	WVEYCVCSMWAUKW-QGZVFWFLSA-N	1	0	353.382	1.693	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C3CC3)C3CCCC3)CC2)o1	ZINC000064809295	522756684	/nfs/dbraw/zinc/75/66/84/522756684.db2.gz	KNUVRUTYBKJICN-UHFFFAOYSA-N	1	0	357.458	1.910	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1	ZINC000065441728	522820991	/nfs/dbraw/zinc/82/09/91/522820991.db2.gz	YJDNFFYEFYKOEF-QGZVFWFLSA-N	1	0	356.474	1.515	20	30		FDEDRO
CC[NH+](CC)[C@H](C)CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000049723624	522856913	/nfs/dbraw/zinc/85/69/13/522856913.db2.gz	ZLNVCVKQQHQDPB-CQSZACIVSA-N	1	0	351.472	1.320	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CCn1cnc2sccc2c1=O	ZINC000076023407	523010131	/nfs/dbraw/zinc/01/01/31/523010131.db2.gz	BMZQXPCCRLRVPO-UHFFFAOYSA-N	1	0	361.471	1.542	20	30		FDEDRO
Cc1nc(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)ccc1C#N	ZINC000066343711	523023048	/nfs/dbraw/zinc/02/30/48/523023048.db2.gz	WZIGVUNZWIHODP-UHFFFAOYSA-N	1	0	350.426	1.339	20	30		FDEDRO
N#Cc1ccccc1N1CCC[N@@H+](C[C@H](O)COC[C@@H]2CCCO2)CC1	ZINC000076199771	523042057	/nfs/dbraw/zinc/04/20/57/523042057.db2.gz	UTZLRCBTUVFLQK-OALUTQOASA-N	1	0	359.470	1.627	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1	ZINC000076239689	523052772	/nfs/dbraw/zinc/05/27/72/523052772.db2.gz	LPYBDQWHFOPWDC-AWEZNQCLSA-N	1	0	361.417	1.767	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3)CC1	ZINC000076525981	523130383	/nfs/dbraw/zinc/13/03/83/523130383.db2.gz	QKMNUVBAPOSBQH-UHFFFAOYSA-N	1	0	356.426	1.276	20	30		FDEDRO
CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)C1	ZINC000076672636	523165982	/nfs/dbraw/zinc/16/59/82/523165982.db2.gz	AZQXAICBZKQQNM-INIZCTEOSA-N	1	0	370.457	1.715	20	30		FDEDRO
CS(=O)(=O)NC[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1	ZINC000076951987	523212091	/nfs/dbraw/zinc/21/20/91/523212091.db2.gz	LBWUPPDRZIOLJH-HNNXBMFYSA-N	1	0	364.471	1.148	20	30		FDEDRO
CCOc1ccccc1C(=O)NCCCC(=O)NC1(C#N)CC[NH+](C)CC1	ZINC000077038734	523238340	/nfs/dbraw/zinc/23/83/40/523238340.db2.gz	JAZQGUSJZLCMFH-UHFFFAOYSA-N	1	0	372.469	1.699	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)CC1	ZINC000066942041	523277672	/nfs/dbraw/zinc/27/76/72/523277672.db2.gz	CQPURVUPAZMUNC-HXUWFJFHSA-N	1	0	373.472	1.660	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)nc1	ZINC000067090090	523318243	/nfs/dbraw/zinc/31/82/43/523318243.db2.gz	GMGUVQHFLAMLOQ-QZTJIDSGSA-N	1	0	368.485	1.848	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000067381147	523416131	/nfs/dbraw/zinc/41/61/31/523416131.db2.gz	PLRWVDSEILKIHU-UHFFFAOYSA-N	1	0	358.490	1.953	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(C[NH+]2CCOCC2)CC1	ZINC000053564074	523465461	/nfs/dbraw/zinc/46/54/61/523465461.db2.gz	XWOHJJPHECVHJF-MRXNPFEDSA-N	1	0	357.454	1.896	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c1	ZINC000067633225	523526989	/nfs/dbraw/zinc/52/69/89/523526989.db2.gz	MCLOSYKJOYWLAC-OAHLLOKOSA-N	1	0	365.499	1.611	20	30		FDEDRO
Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)n1	ZINC000054204500	523592703	/nfs/dbraw/zinc/59/27/03/523592703.db2.gz	DGSLEQWRHFYLNS-JKSUJKDBSA-N	1	0	357.458	1.801	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC#N)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000054868053	523711011	/nfs/dbraw/zinc/71/10/11/523711011.db2.gz	RZWMCMWWVBCVEY-KRWDZBQOSA-N	1	0	353.470	1.827	20	30		FDEDRO
C=CCSCCNC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1	ZINC000080104218	523832830	/nfs/dbraw/zinc/83/28/30/523832830.db2.gz	VEXWTWFQIKULKO-UHFFFAOYSA-N	1	0	370.563	1.832	20	30		FDEDRO
C[C@H](C#N)CN(C)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1	ZINC000080213969	523852456	/nfs/dbraw/zinc/85/24/56/523852456.db2.gz	ZBYBXMURMQIKHX-CQSZACIVSA-N	1	0	351.495	1.414	20	30		FDEDRO
C[C@@H](CCNc1c(C#N)c(=O)n(C)c(=O)n1C)[N@H+](C)Cc1ccccc1	ZINC000080671390	523896190	/nfs/dbraw/zinc/89/61/90/523896190.db2.gz	SWTHXIQIKOBTNM-AWEZNQCLSA-N	1	0	355.442	1.278	20	30		FDEDRO
Cn1c(NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c(C#N)c(=O)n(C)c1=O	ZINC000080676589	523897235	/nfs/dbraw/zinc/89/72/35/523897235.db2.gz	GMLBDULDHUXHIQ-CQSZACIVSA-N	1	0	361.833	1.324	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1coc(S(N)(=O)=O)c1)C(C)C	ZINC000135627158	524158249	/nfs/dbraw/zinc/15/82/49/524158249.db2.gz	AZEYQCZUXULVIL-AWEZNQCLSA-N	1	0	355.460	1.355	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1	ZINC000121203173	524186068	/nfs/dbraw/zinc/18/60/68/524186068.db2.gz	RGIYDBPMCMEQPC-UHFFFAOYSA-N	1	0	356.426	1.068	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1	ZINC000121205597	524186910	/nfs/dbraw/zinc/18/69/10/524186910.db2.gz	TXEYFHDYGVZDSP-UHFFFAOYSA-N	1	0	355.438	1.177	20	30		FDEDRO
N#Cc1ccccc1S(=O)(=O)NC1CC[NH+](CCc2ccncc2)CC1	ZINC000157006441	524189587	/nfs/dbraw/zinc/18/95/87/524189587.db2.gz	SOSOMMALMBQOGM-UHFFFAOYSA-N	1	0	370.478	1.939	20	30		FDEDRO
O=C(C#Cc1ccc2c(c1)OCO2)NC1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000136290300	524192079	/nfs/dbraw/zinc/19/20/79/524192079.db2.gz	CNRKNMWNJQRSRJ-INIZCTEOSA-N	1	0	356.422	1.384	20	30		FDEDRO
C[NH+](C)CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000121273901	524207458	/nfs/dbraw/zinc/20/74/58/524207458.db2.gz	IJPSBTPMTUCZCN-UHFFFAOYSA-N	1	0	374.489	1.706	20	30		FDEDRO
CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1cccc(C)c1C#N	ZINC000157261778	524241209	/nfs/dbraw/zinc/24/12/09/524241209.db2.gz	MQMDZNRJQGGYGU-UHFFFAOYSA-N	1	0	353.488	1.846	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1	ZINC000173050007	524312878	/nfs/dbraw/zinc/31/28/78/524312878.db2.gz	AKKJLOPEDIGQDM-AWEZNQCLSA-N	1	0	367.515	1.857	20	30		FDEDRO
C[C@@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1	ZINC000111631317	524313836	/nfs/dbraw/zinc/31/38/36/524313836.db2.gz	MLYVEJJCAPWBLI-INIZCTEOSA-N	1	0	364.449	1.925	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CC1	ZINC000173160872	524337401	/nfs/dbraw/zinc/33/74/01/524337401.db2.gz	ISSCBQRUKPNBBF-MRXNPFEDSA-N	1	0	355.438	1.272	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCCOc2ncccc2C(F)(F)F)CC1	ZINC000157823717	524346659	/nfs/dbraw/zinc/34/66/59/524346659.db2.gz	OBIYOBDPYDLQMQ-UHFFFAOYSA-N	1	0	355.360	1.941	20	30		FDEDRO
N#Cc1cnc(NCc2cccc(NC(=O)CCN3CCOCC3)c2)cn1	ZINC000121893210	524400115	/nfs/dbraw/zinc/40/01/15/524400115.db2.gz	DSRSSGXLJMOSAT-UHFFFAOYSA-N	1	0	366.425	1.621	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccc(OC)c(N3CCNC3=O)c2)CC1	ZINC000173578506	524419457	/nfs/dbraw/zinc/41/94/57/524419457.db2.gz	GXDUBFYRCNCBGA-UHFFFAOYSA-N	1	0	358.442	1.605	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21	ZINC000122107130	524454287	/nfs/dbraw/zinc/45/42/87/524454287.db2.gz	HXVWUZMKHUMCKS-PBHICJAKSA-N	1	0	373.428	1.719	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCc3ccc(C#N)cc3)=[NH+]C[C@@H]2C1	ZINC000089120407	524476343	/nfs/dbraw/zinc/47/63/43/524476343.db2.gz	BXGKOOROOYTQPM-MRXNPFEDSA-N	1	0	355.442	1.939	20	30		FDEDRO
C=CCCOCCNC(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1	ZINC000122209092	524478378	/nfs/dbraw/zinc/47/83/78/524478378.db2.gz	VOGXPBJKDLRGDN-UHFFFAOYSA-N	1	0	361.490	1.615	20	30		FDEDRO
Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCOC[C@@H]2C#N)CC1	ZINC000089130894	524479425	/nfs/dbraw/zinc/47/94/25/524479425.db2.gz	BRLTYYVLCILACV-IBGZPJMESA-N	1	0	356.470	1.300	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccn(CC[NH+](C)C)n1	ZINC000173912707	524482582	/nfs/dbraw/zinc/48/25/82/524482582.db2.gz	SWZDWOPGILNKOP-UHFFFAOYSA-N	1	0	370.457	1.997	20	30		FDEDRO
CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc(F)cc2C#N)CC1	ZINC000122257629	524491884	/nfs/dbraw/zinc/49/18/84/524491884.db2.gz	OVHHPXSDLDLRPI-AWEZNQCLSA-N	1	0	368.478	1.249	20	30		FDEDRO
CCOCc1ccc(CNC(=[NH+]C)N2CCS(=O)(=O)C(C)(C)C2)cc1	ZINC000158600850	524497275	/nfs/dbraw/zinc/49/72/75/524497275.db2.gz	QOHJSZXTJXRKEJ-UHFFFAOYSA-N	1	0	367.515	1.808	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2COc3cc(OC)ccc3C2)c1C#N	ZINC000089673898	524518646	/nfs/dbraw/zinc/51/86/46/524518646.db2.gz	FFHRUOWBZYKHPO-CYBMUJFWSA-N	1	0	369.425	1.632	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CCn2c(C)c(C)sc2=O)c1C#N	ZINC000089674082	524518787	/nfs/dbraw/zinc/51/87/87/524518787.db2.gz	OUCPCVSKSQWNGY-UHFFFAOYSA-N	1	0	362.459	1.302	20	30		FDEDRO
CCCC(=O)N1CCC[C@@H](C(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)C1	ZINC000089676706	524519276	/nfs/dbraw/zinc/51/92/76/524519276.db2.gz	SVDYHQDKSICHPE-CYBMUJFWSA-N	1	0	360.462	1.411	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)NC(=O)c2cccc(C)c2)c1C#N	ZINC000089675404	524519389	/nfs/dbraw/zinc/51/93/89/524519389.db2.gz	CWMWWHRRRMTHFC-ZDUSSCGKSA-N	1	0	368.441	1.499	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]([NH+](CC)CC)C2)c1	ZINC000174140099	524520401	/nfs/dbraw/zinc/52/04/01/524520401.db2.gz	UNBDPCLNSBZHEJ-MRXNPFEDSA-N	1	0	365.499	1.707	20	30		FDEDRO
N#CCOc1cccc(CC(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1	ZINC000089752505	524523305	/nfs/dbraw/zinc/52/33/05/524523305.db2.gz	FRLRJHOQQFFHCV-UHFFFAOYSA-N	1	0	357.454	1.702	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1	ZINC000174290205	524536422	/nfs/dbraw/zinc/53/64/22/524536422.db2.gz	XINQYVGMXDMDJV-KRWDZBQOSA-N	1	0	370.453	1.199	20	30		FDEDRO
Cc1cc(C)cc(OC[C@H](O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1	ZINC000089942832	524555357	/nfs/dbraw/zinc/55/53/57/524555357.db2.gz	ZSCYPLMYMQRCHG-OAHLLOKOSA-N	1	0	357.458	1.785	20	30		FDEDRO
CN(CCC[NH+]1CCN(C)CC1)CC(=O)Nc1cc(Cl)ccc1C#N	ZINC000174722932	524707786	/nfs/dbraw/zinc/70/77/86/524707786.db2.gz	WHWDLZFHKXUKFU-UHFFFAOYSA-N	1	0	363.893	1.719	20	30		FDEDRO
N#Cc1cccnc1N1CCN(CC(=O)N2CCc3sccc3C2)CC1	ZINC000123288260	524721683	/nfs/dbraw/zinc/72/16/83/524721683.db2.gz	FHLPYBNLUVIUSV-UHFFFAOYSA-N	1	0	367.478	1.722	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)C2CC[NH+](C(C)C)CC2)CC1	ZINC000091553725	524724013	/nfs/dbraw/zinc/72/40/13/524724013.db2.gz	UPHGDUOZUGMLDV-IBGZPJMESA-N	1	0	363.550	1.483	20	30		FDEDRO
C[C@H](CNC(=O)CCCC(=O)Nc1ccccc1C#N)CN1CCOCC1	ZINC000151928550	524728484	/nfs/dbraw/zinc/72/84/84/524728484.db2.gz	UGNMQSWVEMPFPG-MRXNPFEDSA-N	1	0	372.469	1.752	20	30		FDEDRO
CC[NH+](CC)[C@@H](CNC(=O)CCNC(=O)C1N=CC=CC1=O)CC(C)C	ZINC000174825944	524750743	/nfs/dbraw/zinc/75/07/43/524750743.db2.gz	LSBIAHNCWLPINA-RAJOGRCSSA-N	1	0	364.490	1.776	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1	ZINC000174842413	524757887	/nfs/dbraw/zinc/75/78/87/524757887.db2.gz	RZHIUWDXESDJKT-QGZVFWFLSA-N	1	0	360.502	1.934	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]Cc1cnc2ccc(C#N)cn12	ZINC000123555208	524776100	/nfs/dbraw/zinc/77/61/00/524776100.db2.gz	UXPDJSVWUKNCQK-QGZVFWFLSA-N	1	0	354.458	1.238	20	30		FDEDRO
Cn1ccnc1C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000123662563	524802116	/nfs/dbraw/zinc/80/21/16/524802116.db2.gz	SRPKMDMSJJFPFS-ROUUACIJSA-N	1	0	354.454	1.986	20	30		FDEDRO
N#Cc1ccc(OCC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1	ZINC000160343769	524862473	/nfs/dbraw/zinc/86/24/73/524862473.db2.gz	RTPSLKUPBSSPKE-RBUKOAKNSA-N	1	0	357.454	1.821	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3cc(C#N)ccc3C)C2)CC1	ZINC000114740154	524867479	/nfs/dbraw/zinc/86/74/79/524867479.db2.gz	BNJQPBZQSCAEQQ-KRWDZBQOSA-N	1	0	362.499	1.267	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2c(F)cc(C#N)cc2F)CC1	ZINC000152401018	524875529	/nfs/dbraw/zinc/87/55/29/524875529.db2.gz	MGVIZYJWOOUQFC-HNNXBMFYSA-N	1	0	362.380	1.215	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNC(=O)COc2ccc(C#N)cc2)ccn1	ZINC000124156498	524915944	/nfs/dbraw/zinc/91/59/44/524915944.db2.gz	DPCIYJBAIVQZRO-UHFFFAOYSA-N	1	0	354.410	1.589	20	30		FDEDRO
CCOc1ccnc(N2CCC[N@H+](CCC(=O)N(C)CCC#N)CC2)n1	ZINC000092802153	524918314	/nfs/dbraw/zinc/91/83/14/524918314.db2.gz	TUJKIROZNUMURO-UHFFFAOYSA-N	1	0	360.462	1.150	20	30		FDEDRO
C[NH+]=C(NCCN1C(=O)Cc2ccccc21)NCc1ccc2c(c1)OCO2	ZINC000175465538	524966497	/nfs/dbraw/zinc/96/64/97/524966497.db2.gz	XLZZYSWNCJTYOT-UHFFFAOYSA-N	1	0	366.421	1.670	20	30		FDEDRO
CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCN(CC#N)CC3)cc2)CC1	ZINC000152733059	524985771	/nfs/dbraw/zinc/98/57/71/524985771.db2.gz	GNLSSYMNVDIJOS-UHFFFAOYSA-N	1	0	355.486	1.498	20	30		FDEDRO
CN(CCC#N)c1ccc(CN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1	ZINC000093821272	525004037	/nfs/dbraw/zinc/00/40/37/525004037.db2.gz	NFRZKIBFUBKTKK-HXUWFJFHSA-N	1	0	369.513	1.775	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1C#N	ZINC000160982105	525008489	/nfs/dbraw/zinc/00/84/89/525008489.db2.gz	HTWNKOMMKSIXJG-QGZVFWFLSA-N	1	0	370.453	1.981	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)nc2)[C@H](C)C1	ZINC000115591690	525029632	/nfs/dbraw/zinc/02/96/32/525029632.db2.gz	LTTFSIIPHRHFTQ-RHSMWYFYSA-N	1	0	366.487	1.369	20	30		FDEDRO
COCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCN(c3sccc3C#N)C1=O)CC2	ZINC000124694146	525053243	/nfs/dbraw/zinc/05/32/43/525053243.db2.gz	GUGGKLIELLJFOH-CHWSQXEVSA-N	1	0	372.454	1.068	20	30		FDEDRO
C[NH+]=C(NCc1c(C)nn(C)c1C)N[C@@H]1CCc2nnc(C(C)C)n2C1	ZINC000176157813	525059607	/nfs/dbraw/zinc/05/96/07/525059607.db2.gz	IDZSBOYEWHQEQW-CQSZACIVSA-N	1	0	358.494	1.432	20	30		FDEDRO
CNC(=O)CC1CCN(C(NCc2nncn2-c2ccccc2)=[NH+]C)CC1	ZINC000153037019	525087935	/nfs/dbraw/zinc/08/79/35/525087935.db2.gz	OJWVCRQSPYCCFA-UHFFFAOYSA-N	1	0	369.473	1.191	20	30		FDEDRO
C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000161423844	525105528	/nfs/dbraw/zinc/10/55/28/525105528.db2.gz	UCIHYLITUWUCHK-ZDUSSCGKSA-N	1	0	365.377	1.168	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1CCCO[C@@H]1c1ccc(C)cc1	ZINC000176650449	525160326	/nfs/dbraw/zinc/16/03/26/525160326.db2.gz	GFJRFJWCBJDPKZ-VQTJNVASSA-N	1	0	374.529	1.960	20	30		FDEDRO
N#Cc1cccc(CS(=O)(=O)NCCCC[N@H+]2CCC[C@H]2CO)c1	ZINC000161741465	525162822	/nfs/dbraw/zinc/16/28/22/525162822.db2.gz	WHIVDWIAVIDHJV-KRWDZBQOSA-N	1	0	351.472	1.215	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N[C@@H]1CCCN(c2ncccn2)C1	ZINC000176673192	525164406	/nfs/dbraw/zinc/16/44/06/525164406.db2.gz	DGJMKNLWDJTTBO-QXSJWSMHSA-N	1	0	358.490	1.424	20	30		FDEDRO
C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153297779	525169805	/nfs/dbraw/zinc/16/98/05/525169805.db2.gz	OSGDSOAPNONRSW-AWEZNQCLSA-N	1	0	354.458	1.948	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1	ZINC000176900021	525196994	/nfs/dbraw/zinc/19/69/94/525196994.db2.gz	WPEXIWJIGMTOMV-MRXNPFEDSA-N	1	0	372.469	1.788	20	30		FDEDRO
CC[NH+]=C(NC[C@H](O)c1ccc(F)cc1)N[C@@H]1CCc2nc(C)nn2C1	ZINC000153382780	525197222	/nfs/dbraw/zinc/19/72/22/525197222.db2.gz	TVVAARNWYPJHPD-CVEARBPZSA-N	1	0	360.437	1.329	20	30		FDEDRO
CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000176914858	525201055	/nfs/dbraw/zinc/20/10/55/525201055.db2.gz	TZJUZRBHNVFBSZ-KRWDZBQOSA-N	1	0	370.457	1.413	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N(C)CC(=O)NC(C)(C)C	ZINC000162237420	525231418	/nfs/dbraw/zinc/23/14/18/525231418.db2.gz	SGXBUGLPHBGHHZ-IMJJTQAJSA-N	1	0	350.507	1.756	20	30		FDEDRO
C=CCn1c(=O)c2ccc(C(=O)N3CCC[N@@H+](C)CC3)cc2[n-]c1=S	ZINC000125860955	525245025	/nfs/dbraw/zinc/24/50/25/525245025.db2.gz	PAJJPGVQCRYCHE-UHFFFAOYSA-N	1	0	358.467	1.649	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C(N)=O)cn1	ZINC000126045025	525266792	/nfs/dbraw/zinc/26/67/92/525266792.db2.gz	ZXTRFSCPTKNNQT-UHFFFAOYSA-N	1	0	351.410	1.256	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C)cc1	ZINC000162759444	525312909	/nfs/dbraw/zinc/31/29/09/525312909.db2.gz	PKULDRQDJJAHQR-UHFFFAOYSA-N	1	0	374.485	1.587	20	30		FDEDRO
C[NH+]=C(NCCNS(=O)(=O)c1cccnc1)N[C@@H]1CCC[C@H](C)C1	ZINC000162814207	525320614	/nfs/dbraw/zinc/32/06/14/525320614.db2.gz	BFNOBNRYRLYATJ-UONOGXRCSA-N	1	0	353.492	1.104	20	30		FDEDRO
N#CCOc1ccccc1C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1	ZINC000127264037	525401394	/nfs/dbraw/zinc/40/13/94/525401394.db2.gz	NMHLFLFKARAMJO-QZTJIDSGSA-N	1	0	365.433	1.954	20	30		FDEDRO
C=CCCOCCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1	ZINC000127309788	525408443	/nfs/dbraw/zinc/40/84/43/525408443.db2.gz	DYAQVLOEMDFOBV-JWTNVVGKSA-N	1	0	350.507	1.532	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)CC1	ZINC000178308788	525411115	/nfs/dbraw/zinc/41/11/15/525411115.db2.gz	KDEJQKOMIUCWTH-IBGZPJMESA-N	1	0	356.426	1.121	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1	ZINC000127349373	525413293	/nfs/dbraw/zinc/41/32/93/525413293.db2.gz	XWJFFQIVBYMZFQ-UHFFFAOYSA-N	1	0	367.453	1.942	20	30		FDEDRO
C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)Cn2cnc(C#N)n2)C1	ZINC000178418176	525425588	/nfs/dbraw/zinc/42/55/88/525425588.db2.gz	UDUUEORJBACQEQ-HZPDHXFCSA-N	1	0	366.469	1.944	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NCC[N@@H+](C)C2CCCC2)c1	ZINC000104755465	525431794	/nfs/dbraw/zinc/43/17/94/525431794.db2.gz	VWLVQKLTOTXTKJ-UHFFFAOYSA-N	1	0	365.499	1.755	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000178537102	525444220	/nfs/dbraw/zinc/44/42/20/525444220.db2.gz	MOKZLIIRRIQCFJ-UHFFFAOYSA-N	1	0	355.442	1.639	20	30		FDEDRO
CC(C)C[C@H](NC(=O)COc1ccccc1C#N)C(=O)NCC[NH+](C)C	ZINC000127873095	525474700	/nfs/dbraw/zinc/47/47/00/525474700.db2.gz	RHRZIUWCWPERSK-INIZCTEOSA-N	1	0	360.458	1.146	20	30		FDEDRO
C[C@H]1C[NH+](CCCCNC(=O)CNC(=O)c2ccc(C#N)cc2)C[C@H](C)O1	ZINC000164267758	525489709	/nfs/dbraw/zinc/48/97/09/525489709.db2.gz	PYUZVQZXFUDDRB-HOTGVXAUSA-N	1	0	372.469	1.294	20	30		FDEDRO
C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H](CCC#N)c2ccccc2)cn1	ZINC000128270574	525522587	/nfs/dbraw/zinc/52/25/87/525522587.db2.gz	HZZSLSUQPYPGTQ-QGZVFWFLSA-N	1	0	368.441	1.544	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N[C@H]1C[C@H]2CC[C@@H]1O2	ZINC000179220284	525545703	/nfs/dbraw/zinc/54/57/03/525545703.db2.gz	OKOIRTJRALQCJY-SNPRPXQTSA-N	1	0	371.890	1.599	20	30		FDEDRO
C[NH+]=C(NCc1cc(N(C)C)nc2ccccc12)N1CCO[C@@H](COC)C1	ZINC000179263326	525549882	/nfs/dbraw/zinc/54/98/82/525549882.db2.gz	VTIJSYLBWXEAOC-MRXNPFEDSA-N	1	0	371.485	1.723	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)NS(=O)(=O)c2cccs2)CC1	ZINC000106037746	525554388	/nfs/dbraw/zinc/55/43/88/525554388.db2.gz	SGORQAUEFAZISW-CYBMUJFWSA-N	1	0	371.528	1.572	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)CC1	ZINC000106036976	525554402	/nfs/dbraw/zinc/55/44/02/525554402.db2.gz	FZUVSUQJSTVIMZ-GOSISDBHSA-N	1	0	369.469	1.263	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000154527634	525562297	/nfs/dbraw/zinc/56/22/97/525562297.db2.gz	GZFQTYRMRSDZHF-HDICACEKSA-N	1	0	369.513	1.987	20	30		FDEDRO
CC(C)[N@@H+](Cc1ccc(C#N)o1)C[C@H](O)COc1ccc(CC(N)=O)cc1	ZINC000128617927	525562454	/nfs/dbraw/zinc/56/24/54/525562454.db2.gz	ROOBJSCAGHCCHT-INIZCTEOSA-N	1	0	371.437	1.829	20	30		FDEDRO
CCC[C@@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2C)CCN1CCOC	ZINC000179391536	525574081	/nfs/dbraw/zinc/57/40/81/525574081.db2.gz	XPNQVGYVQXOSHU-QGZVFWFLSA-N	1	0	372.469	1.765	20	30		FDEDRO
N#CCCN(CCN1CCOCC1)Cc1cnc(N2CCOCC2)s1	ZINC000154756576	525630054	/nfs/dbraw/zinc/63/00/54/525630054.db2.gz	SJGSMQRWBALIAG-UHFFFAOYSA-N	1	0	365.503	1.028	20	30		FDEDRO
Cc1sc2ncc(C(=O)N(CCC#N)CCC[NH+](C)C)c(=O)n2c1C	ZINC000179995961	525649252	/nfs/dbraw/zinc/64/92/52/525649252.db2.gz	FMFNWUBBIZYKRK-UHFFFAOYSA-N	1	0	361.471	1.680	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1	ZINC000180187094	525673266	/nfs/dbraw/zinc/67/32/66/525673266.db2.gz	OJGWTSVBBNOCRA-QGZVFWFLSA-N	1	0	360.458	1.434	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1	ZINC000154927410	525686504	/nfs/dbraw/zinc/68/65/04/525686504.db2.gz	RBTULFZZOPILCP-GOSISDBHSA-N	1	0	356.470	1.707	20	30		FDEDRO
CC[NH+](CC)CCOc1ccc(CNC(=O)N2CCO[C@@H](C#N)C2)cc1	ZINC000106331264	525693042	/nfs/dbraw/zinc/69/30/42/525693042.db2.gz	OAJAYTFLKLSONS-SFHVURJKSA-N	1	0	360.458	1.841	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-n3cccn3)nc2)CC1	ZINC000106349176	525698994	/nfs/dbraw/zinc/69/89/94/525698994.db2.gz	GKBFAIBBBTZOMU-UHFFFAOYSA-N	1	0	368.441	1.363	20	30		FDEDRO
N#CC1(CS(=O)(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC1	ZINC000180420861	525704872	/nfs/dbraw/zinc/70/48/72/525704872.db2.gz	AHLQXDXXJZNSTK-UHFFFAOYSA-N	1	0	363.483	1.366	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[N@H+](C)CC2)cc1	ZINC000180640655	525732518	/nfs/dbraw/zinc/73/25/18/525732518.db2.gz	GGXXMJCPPPNTNK-UHFFFAOYSA-N	1	0	366.487	1.663	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1	ZINC000180684227	525741614	/nfs/dbraw/zinc/74/16/14/525741614.db2.gz	ZTLGBZRAFKLCHM-QGZVFWFLSA-N	1	0	374.485	1.824	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1	ZINC000106582858	525764499	/nfs/dbraw/zinc/76/44/99/525764499.db2.gz	RGLIDDGDKPXTTL-KRWDZBQOSA-N	1	0	355.486	1.892	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1CCCO[C@@H]1c1ccccc1	ZINC000170909128	525765253	/nfs/dbraw/zinc/76/52/53/525765253.db2.gz	RDSSRNWYAISWBJ-RBUKOAKNSA-N	1	0	360.502	1.652	20	30		FDEDRO
C[C@@H](Cn1cc(Br)cn1)[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000180874852	525769009	/nfs/dbraw/zinc/76/90/09/525769009.db2.gz	GTIDNCRCBIFAPV-DZOVYVGFSA-N	1	0	368.235	1.150	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H]2CC(C)(C)OC2(C)C)CC1	ZINC000119667660	525820697	/nfs/dbraw/zinc/82/06/97/525820697.db2.gz	WHOBCUQESOQNKI-HOTGVXAUSA-N	1	0	350.507	1.614	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)c1cccs1	ZINC000171106508	525848229	/nfs/dbraw/zinc/84/82/29/525848229.db2.gz	ULBZEHRCCJLDNC-OAHLLOKOSA-N	1	0	356.451	1.769	20	30		FDEDRO
CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1	ZINC000181560227	525873894	/nfs/dbraw/zinc/87/38/94/525873894.db2.gz	CTYRVICJTUHAQK-QGZVFWFLSA-N	1	0	350.488	1.550	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(CC(=O)N(CCC#N)c3ccccc3)C2)CC1	ZINC000107371367	525880604	/nfs/dbraw/zinc/88/06/04/525880604.db2.gz	GVILZXFPAPNYSH-HXUWFJFHSA-N	1	0	369.513	1.645	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000181670522	525887902	/nfs/dbraw/zinc/88/79/02/525887902.db2.gz	FLOXALUQSPKWNN-KGLIPLIRSA-N	1	0	356.426	1.516	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)C1	ZINC000181743952	525915576	/nfs/dbraw/zinc/91/55/76/525915576.db2.gz	LQHCLXSZOSJJQC-LSDHHAIUSA-N	1	0	358.442	1.764	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CC[N@@H+](CC)C2)ccc1F	ZINC000107892436	525929281	/nfs/dbraw/zinc/92/92/81/525929281.db2.gz	UNAHIBPAEATONJ-CYBMUJFWSA-N	1	0	369.462	1.362	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1	ZINC000181868375	525962464	/nfs/dbraw/zinc/96/24/64/525962464.db2.gz	HAGOPKBWMFZUNN-HZPDHXFCSA-N	1	0	370.453	1.860	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000171468942	526006827	/nfs/dbraw/zinc/00/68/27/526006827.db2.gz	IVEQBMMURCPWPK-UHFFFAOYSA-N	1	0	361.833	1.844	20	30		FDEDRO
N#CCOc1cccc(CC(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1	ZINC000132988865	526011831	/nfs/dbraw/zinc/01/18/31/526011831.db2.gz	AIFFTBLMAPGDMN-UHFFFAOYSA-N	1	0	356.470	1.371	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](CC(N)=O)C2CCCCC2)cc1	ZINC000182033697	526029153	/nfs/dbraw/zinc/02/91/53/526029153.db2.gz	KHLUKPBODPMQPR-KRWDZBQOSA-N	1	0	363.483	1.746	20	30		FDEDRO
CCN1CCN(C(=O)[C@@H](C)[NH+]2CCC(Oc3cccc(C#N)c3)CC2)CC1	ZINC000171610688	526049004	/nfs/dbraw/zinc/04/90/04/526049004.db2.gz	SBSNGSZHJVOFKZ-QGZVFWFLSA-N	1	0	370.497	1.954	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1	ZINC000171621434	526052758	/nfs/dbraw/zinc/05/27/58/526052758.db2.gz	GWKPMACYBLKKKL-DLBZAZTESA-N	1	0	367.453	1.715	20	30		FDEDRO
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCc1ccc(OCC#N)cc1	ZINC000171684225	526075821	/nfs/dbraw/zinc/07/58/21/526075821.db2.gz	OIONBDIWENOBCJ-UHFFFAOYSA-N	1	0	373.501	1.756	20	30		FDEDRO
N#CC1(C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CCC1	ZINC000120477533	526078008	/nfs/dbraw/zinc/07/80/08/526078008.db2.gz	AJHPFFPYSMKMTF-KRWDZBQOSA-N	1	0	354.454	1.694	20	30		FDEDRO
N#CC1(C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CCC1	ZINC000120477669	526078612	/nfs/dbraw/zinc/07/86/12/526078612.db2.gz	AJHPFFPYSMKMTF-QGZVFWFLSA-N	1	0	354.454	1.694	20	30		FDEDRO
C=C[C@H](C)NC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1	ZINC000133728784	526085120	/nfs/dbraw/zinc/08/51/20/526085120.db2.gz	XVJWLDDMVKRLPV-HNNXBMFYSA-N	1	0	356.470	1.848	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)C(=O)c2ccc3c(c2)CCC3)c1C#N	ZINC000133791501	526095920	/nfs/dbraw/zinc/09/59/20/526095920.db2.gz	RJJKZQOXUGVRIM-UHFFFAOYSA-N	1	0	351.410	1.743	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C2CCN(Cc3nccn3C)CC2)CC1	ZINC000171728735	526098762	/nfs/dbraw/zinc/09/87/62/526098762.db2.gz	OYBWRXQOICAOLA-UHFFFAOYSA-N	1	0	359.518	1.789	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)Nc2cc(C#N)ccc2OCCOC)CC1	ZINC000182217841	526098841	/nfs/dbraw/zinc/09/88/41/526098841.db2.gz	PBPRVHUNOJXVNN-UHFFFAOYSA-N	1	0	360.458	1.550	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1	ZINC000134095361	526122179	/nfs/dbraw/zinc/12/21/79/526122179.db2.gz	MYPPXJLPHZJHOV-GJZGRUSLSA-N	1	0	358.442	1.716	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1	ZINC000109789412	526183944	/nfs/dbraw/zinc/18/39/44/526183944.db2.gz	LYRLWLDPEAVPCJ-UHFFFAOYSA-N	1	0	364.534	1.287	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ccccc3F)C2=O)CC1	ZINC000171944065	526189329	/nfs/dbraw/zinc/18/93/29/526189329.db2.gz	QAYVNBHWTANMMO-INIZCTEOSA-N	1	0	360.433	1.881	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@H](CN4CCOCC4)C3)C2=O)cc1	ZINC000182810064	535866700	/nfs/dbraw/zinc/86/67/00/535866700.db2.gz	YKQSIHFXBMGJIN-QUCCMNQESA-N	1	0	368.481	1.708	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1	ZINC000182901375	535884479	/nfs/dbraw/zinc/88/44/79/535884479.db2.gz	IKKFBKTZPAILOG-QGZVFWFLSA-N	1	0	360.458	1.326	20	30		FDEDRO
CC[C@@H]([NH2+]CC(=O)N(CC)C[C@H](C)C#N)c1cccc(S(N)(=O)=O)c1	ZINC000183015205	535904982	/nfs/dbraw/zinc/90/49/82/535904982.db2.gz	ZLNCZPHOUUDMED-CZUORRHYSA-N	1	0	366.487	1.383	20	30		FDEDRO
CC[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1cccc(S(N)(=O)=O)c1	ZINC000183021816	535906075	/nfs/dbraw/zinc/90/60/75/535906075.db2.gz	QIAUHMAZPVFORU-RDJZCZTQSA-N	1	0	364.471	1.183	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000183041469	535908986	/nfs/dbraw/zinc/90/89/86/535908986.db2.gz	MMAIDEHRTWNWER-LJQANCHMSA-N	1	0	360.502	1.560	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1	ZINC000183164565	535932980	/nfs/dbraw/zinc/93/29/80/535932980.db2.gz	JBFFDARJLVLTBN-NSHDSACASA-N	1	0	373.379	1.939	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(OCC[NH3+])cc1	ZINC000183292177	535957415	/nfs/dbraw/zinc/95/74/15/535957415.db2.gz	BQTQWXQGRZUJGQ-UHFFFAOYSA-N	1	0	354.410	1.772	20	30		FDEDRO
CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000184578494	536166802	/nfs/dbraw/zinc/16/68/02/536166802.db2.gz	BCOMUDCQLABGQE-AWEZNQCLSA-N	1	0	353.430	1.944	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000184603854	536168712	/nfs/dbraw/zinc/16/87/12/536168712.db2.gz	HYIQOGNHGUKUOK-UHFFFAOYSA-N	1	0	366.429	1.838	20	30		FDEDRO
CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000186344256	536232699	/nfs/dbraw/zinc/23/26/99/536232699.db2.gz	YMPGFYQJGCCTMP-QYZOEREBSA-N	1	0	364.534	1.862	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC[C@@H]1O	ZINC000186844349	536246126	/nfs/dbraw/zinc/24/61/26/536246126.db2.gz	AWAAMEKLTJZZNN-CJNGLKHVSA-N	1	0	354.372	1.876	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1	ZINC000187599599	536269769	/nfs/dbraw/zinc/26/97/69/536269769.db2.gz	DFVVFLLPGCKNRD-UHFFFAOYSA-N	1	0	355.438	1.628	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CC2([NH+](C)C)CCC2)c1	ZINC000187995092	536279847	/nfs/dbraw/zinc/27/98/47/536279847.db2.gz	QNIURMQYBHLISC-UHFFFAOYSA-N	1	0	363.483	1.154	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2ccc(C#N)c(O)c2)cc1	ZINC000188291719	536289061	/nfs/dbraw/zinc/28/90/61/536289061.db2.gz	UVSZXDMTLHRRCI-UHFFFAOYSA-N	1	0	366.421	1.485	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N3CC[NH+](CC(C)C)CC3)CC2)o1	ZINC000188467277	536293857	/nfs/dbraw/zinc/29/38/57/536293857.db2.gz	KXUVAFGYUIKRIL-UHFFFAOYSA-N	1	0	359.474	1.871	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc3c(cc2Cl)OCO3)CC1	ZINC000266630283	536912006	/nfs/dbraw/zinc/91/20/06/536912006.db2.gz	CQVPKDSWDODGHR-UHFFFAOYSA-N	1	0	365.817	1.774	20	30		FDEDRO
[NH2+]=C(NCCc1nc2c(s1)CCCC2)N1CCN(c2ncccn2)CC1	ZINC000263000824	536957743	/nfs/dbraw/zinc/95/77/43/536957743.db2.gz	OSFUSEUBIBLPMR-UHFFFAOYSA-N	1	0	371.514	1.491	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)c1	ZINC000267269778	536967566	/nfs/dbraw/zinc/96/75/66/536967566.db2.gz	DTBMCLQQKQMCEP-GOSISDBHSA-N	1	0	363.483	1.743	20	30		FDEDRO
COCCNS(=O)(=O)c1cccc(CNC(=[NH2+])NC2CCCCC2)c1	ZINC000267468503	536977725	/nfs/dbraw/zinc/97/77/25/536977725.db2.gz	XEVHWKGJEXQILY-UHFFFAOYSA-N	1	0	368.503	1.348	20	30		FDEDRO
C[NH+]=C(NC[C@H](c1ccc(C)o1)N1CCCC1)N1CCN(C(C)=O)CC1	ZINC000263275422	537007092	/nfs/dbraw/zinc/00/70/92/537007092.db2.gz	YFRFJTRZOOHSAF-QGZVFWFLSA-N	1	0	361.490	1.464	20	30		FDEDRO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCO[C@@H](C[NH+](C)C)C1	ZINC000246774064	537023871	/nfs/dbraw/zinc/02/38/71/537023871.db2.gz	YWTCLCKOTKLHOS-OLZOCXBDSA-N	1	0	362.499	1.698	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)CN2CC[NH+](C[C@H](C)O)CC2)c(OC)c1	ZINC000189355717	537032032	/nfs/dbraw/zinc/03/20/32/537032032.db2.gz	CVRSBKTYFJWTCX-WMZOPIPTSA-N	1	0	364.486	1.162	20	30		FDEDRO
CCCN1CCCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1=O	ZINC000189382693	537036707	/nfs/dbraw/zinc/03/67/07/537036707.db2.gz	KDARDFRGRVLZOX-GOSISDBHSA-N	1	0	354.454	1.998	20	30		FDEDRO
N#Cc1ccccc1N1CCN(C(=O)NCCCC[NH+]2CCOCC2)CC1	ZINC000263708168	537073641	/nfs/dbraw/zinc/07/36/41/537073641.db2.gz	PYIIHHRYPMJYJK-UHFFFAOYSA-N	1	0	371.485	1.502	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)c1	ZINC000247041652	537073709	/nfs/dbraw/zinc/07/37/09/537073709.db2.gz	AHCXJDVKIWQCJL-QFBILLFUSA-N	1	0	371.481	1.860	20	30		FDEDRO
Cn1ccc2ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc21	ZINC000189998587	537125575	/nfs/dbraw/zinc/12/55/75/537125575.db2.gz	YFYKXHPLUHDBDE-UHFFFAOYSA-N	1	0	355.442	1.811	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)[N@H+](C)C1CC1	ZINC000247498797	537125804	/nfs/dbraw/zinc/12/58/04/537125804.db2.gz	XKLMCIPQWYALAL-KBPBESRZSA-N	1	0	357.462	1.051	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccc(OCC#N)cc2)CC1	ZINC000264289274	537140112	/nfs/dbraw/zinc/14/01/12/537140112.db2.gz	PKVMDIUWDSHDQL-UHFFFAOYSA-N	1	0	359.430	1.614	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N(CCC)CCC[NH+](C)C	ZINC000190158120	537147537	/nfs/dbraw/zinc/14/75/37/537147537.db2.gz	ATVYPUNRVJLCHT-UHFFFAOYSA-N	1	0	363.433	1.967	20	30		FDEDRO
C[NH+](C)[C@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000190287627	537161373	/nfs/dbraw/zinc/16/13/73/537161373.db2.gz	VJQDOOGOHDAZHC-ROUUACIJSA-N	1	0	369.469	1.395	20	30		FDEDRO
C#CCN(CC#C)C(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1	ZINC000190432448	537172826	/nfs/dbraw/zinc/17/28/26/537172826.db2.gz	BGYBECFBOTUSLB-UHFFFAOYSA-N	1	0	369.490	1.311	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H](O)CCc1ccccc1	ZINC000248548777	537190637	/nfs/dbraw/zinc/19/06/37/537190637.db2.gz	FRYXXAZFULFVEX-AEFFLSMTSA-N	1	0	351.454	1.852	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCCN(c3ccccn3)CC2)cc1	ZINC000248849222	537216176	/nfs/dbraw/zinc/21/61/76/537216176.db2.gz	AHRCWIYHFUYSOF-GOSISDBHSA-N	1	0	352.438	1.905	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccnn2[C@H](C)C2CC2)CC1	ZINC000192012747	537218246	/nfs/dbraw/zinc/21/82/46/537218246.db2.gz	ZKPSVHACEGJIEI-CQSZACIVSA-N	1	0	359.474	1.949	20	30		FDEDRO
Cc1oc(NC(=O)[C@H](C)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c(C#N)c1C	ZINC000249433790	537235687	/nfs/dbraw/zinc/23/56/87/537235687.db2.gz	ZTNOXWYJNQAARV-JSGCOSHPSA-N	1	0	362.474	1.872	20	30		FDEDRO
C[NH+](C)CCn1c2cc(NC(=O)c3ccnc(C#N)c3)ccc2oc1=O	ZINC000193007452	537237842	/nfs/dbraw/zinc/23/78/42/537237842.db2.gz	HMOJRFOWEIGHFZ-UHFFFAOYSA-N	1	0	351.366	1.675	20	30		FDEDRO
Cc1cccc(NC(=O)[C@H]2CCC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C2)n1	ZINC000249681721	537240344	/nfs/dbraw/zinc/24/03/44/537240344.db2.gz	DGSLEQWRHFYLNS-CVEARBPZSA-N	1	0	357.458	1.801	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCC[NH2+][C@H]2C)ccc1F	ZINC000193514365	537250096	/nfs/dbraw/zinc/25/00/96/537250096.db2.gz	SSPWFMSLZUSBDI-FZMZJTMJSA-N	1	0	355.435	1.160	20	30		FDEDRO
CC1CC[NH+]([C@@H](CNC(=O)Cn2cnc(C#N)n2)c2cccs2)CC1	ZINC000193719771	537254872	/nfs/dbraw/zinc/25/48/72/537254872.db2.gz	APHWLOGFNONMQS-AWEZNQCLSA-N	1	0	358.471	1.801	20	30		FDEDRO
CN(C(=O)CN1CCC[C@H]1C[N@@H+]1CCC[C@H]1CO)C1(C#N)CCCCC1	ZINC000363639227	537266736	/nfs/dbraw/zinc/26/67/36/537266736.db2.gz	WVJZVYCAHLKAHR-ROUUACIJSA-N	1	0	362.518	1.592	20	30		FDEDRO
C[C@H](C(=O)Nc1ccccc1C#N)N1CCC(C[NH+]2CCOCC2)CC1	ZINC000298711339	537281688	/nfs/dbraw/zinc/28/16/88/537281688.db2.gz	HQRRGCPTPSWIIH-MRXNPFEDSA-N	1	0	356.470	1.929	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)c1	ZINC000298714672	537283134	/nfs/dbraw/zinc/28/31/34/537283134.db2.gz	HIYGWFUJDGKEFJ-SJORKVTESA-N	1	0	354.458	1.412	20	30		FDEDRO
C[C@@](CO)([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C1CCCCC1	ZINC000290280790	537310723	/nfs/dbraw/zinc/31/07/23/537310723.db2.gz	MEFKYNJJSGRZEP-KRWDZBQOSA-N	1	0	351.472	1.648	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1	ZINC000272649572	537312299	/nfs/dbraw/zinc/31/22/99/537312299.db2.gz	AKZQPKBZTAYIPY-AWEZNQCLSA-N	1	0	363.483	1.531	20	30		FDEDRO
C=CCCN(C)C(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C	ZINC000276210234	537332521	/nfs/dbraw/zinc/33/25/21/537332521.db2.gz	HPKPJWWPPRNXMV-UHFFFAOYSA-N	1	0	367.515	1.873	20	30		FDEDRO
C=CCCCNC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C	ZINC000279883821	537357077	/nfs/dbraw/zinc/35/70/77/537357077.db2.gz	UETSURJXCYZUEW-UHFFFAOYSA-N	1	0	367.515	1.921	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(CC(C)(C)[N@@H+]2CCc3ccccc3C2)C1=O	ZINC000348440875	537385409	/nfs/dbraw/zinc/38/54/09/537385409.db2.gz	LEYOYWKFHLMGRZ-KRWDZBQOSA-N	1	0	357.454	1.946	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(C[C@H](C(CC)CC)[NH+]2CCOCC2)C1=O	ZINC000348504241	537391183	/nfs/dbraw/zinc/39/11/83/537391183.db2.gz	YGOOCGVGMBEEMZ-HZPDHXFCSA-N	1	0	353.463	1.246	20	30		FDEDRO
C=CCN1CC[C@@H](N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1=O	ZINC000286008660	537401095	/nfs/dbraw/zinc/40/10/95/537401095.db2.gz	PGTUTZANQBPPCA-LEWJYISDSA-N	1	0	368.525	1.665	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2CC[NH3+])ccc1F	ZINC000286093698	537418667	/nfs/dbraw/zinc/41/86/67/537418667.db2.gz	NHVWLVHCKQTDAU-AWEZNQCLSA-N	1	0	369.462	1.634	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@]3(CCC[C@@H]3[NH3+])C2)cc1	ZINC000365081359	537426034	/nfs/dbraw/zinc/42/60/34/537426034.db2.gz	ATAMHMOKVBHVSG-FUHWJXTLSA-N	1	0	363.483	1.494	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000365098223	537429892	/nfs/dbraw/zinc/42/98/92/537429892.db2.gz	QPYOPMMDBHYNFR-QZTJIDSGSA-N	1	0	354.454	1.650	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1	ZINC000287184239	537440902	/nfs/dbraw/zinc/44/09/02/537440902.db2.gz	DZOCQTHHYQVOGZ-UHFFFAOYSA-N	1	0	359.470	1.857	20	30		FDEDRO
C=CC[C@@H](C)NC(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1	ZINC000287865354	537446306	/nfs/dbraw/zinc/44/63/06/537446306.db2.gz	ZWQIUWDMYBVEPV-CQSZACIVSA-N	1	0	360.458	1.986	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c(F)c1	ZINC000288114113	537452622	/nfs/dbraw/zinc/45/26/22/537452622.db2.gz	JOWSIGGNVFHSEW-WBMJQRKESA-N	1	0	361.392	1.970	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2	ZINC000293499206	537488133	/nfs/dbraw/zinc/48/81/33/537488133.db2.gz	XAXMFOJCAZQARZ-FQEVSTJZSA-N	1	0	373.428	1.721	20	30		FDEDRO
C=CCS(=O)(=O)CCN[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1	ZINC000274381792	537525795	/nfs/dbraw/zinc/52/57/95/537525795.db2.gz	MUIFZFQBVMCAGL-IAGOWNOFSA-N	1	0	372.918	1.902	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1	ZINC000274597044	537528129	/nfs/dbraw/zinc/52/81/29/537528129.db2.gz	QJOQMVWPFHNONT-KRWDZBQOSA-N	1	0	358.486	1.524	20	30		FDEDRO
CN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000281441802	537542877	/nfs/dbraw/zinc/54/28/77/537542877.db2.gz	MGPDIKPCFXIZGT-UHFFFAOYSA-N	1	0	359.474	1.998	20	30		FDEDRO
C[NH+](C)CCCNC(=O)CC1S/C(=N/c2cc(F)ccc2F)NC1=O	ZINC000288812623	537549270	/nfs/dbraw/zinc/54/92/70/537549270.db2.gz	BRYDSXAAQPVCME-ZDUSSCGKSA-N	1	0	370.425	1.642	20	30		FDEDRO
CCN(CCC#N)C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1	ZINC000275567232	537557563	/nfs/dbraw/zinc/55/75/63/537557563.db2.gz	APYQRAKPOLTRCN-UHFFFAOYSA-N	1	0	357.458	1.529	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)CC(=O)N(CCC#N)c1ccccc1	ZINC000289512785	537573033	/nfs/dbraw/zinc/57/30/33/537573033.db2.gz	VDKQRVCWSVEJAI-UHFFFAOYSA-N	1	0	359.518	1.749	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1=O	ZINC000284816531	537574301	/nfs/dbraw/zinc/57/43/01/537574301.db2.gz	POKVEMAGUHGLEZ-VQTJNVASSA-N	1	0	357.498	1.996	20	30		FDEDRO
COC(C)(C)CS(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000289542169	537576445	/nfs/dbraw/zinc/57/64/45/537576445.db2.gz	RJNDFGVCCXZIJP-UHFFFAOYSA-N	1	0	353.488	1.677	20	30		FDEDRO
N#Cc1cc(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)cnc1C(F)(F)F	ZINC000293762284	537584808	/nfs/dbraw/zinc/58/48/08/537584808.db2.gz	RWQDGZYQUZNTBO-AWEZNQCLSA-N	1	0	370.375	1.939	20	30		FDEDRO
C[N@H+](CC(=O)NC1(C#N)CCCCC1)C1CCN(c2ncccn2)CC1	ZINC000365822695	537592125	/nfs/dbraw/zinc/59/21/25/537592125.db2.gz	GZICMSGGZLFKMI-UHFFFAOYSA-N	1	0	356.474	1.720	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCCN(C(=O)C(C)(C)C)CC2)CC1	ZINC000363008514	537602058	/nfs/dbraw/zinc/60/20/58/537602058.db2.gz	BTFSFUJUYBBIHO-UHFFFAOYSA-N	1	0	350.507	1.927	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCCN(CC[NH+](C)C)CC1	ZINC000363016413	537602335	/nfs/dbraw/zinc/60/23/35/537602335.db2.gz	WQRGGTUNDMARPP-UHFFFAOYSA-N	1	0	374.533	1.442	20	30		FDEDRO
Cc1sc(NC(=O)CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(C#N)c1C	ZINC000363602227	537616375	/nfs/dbraw/zinc/61/63/75/537616375.db2.gz	FWYDYVURZMOQRT-HZPDHXFCSA-N	1	0	362.499	1.706	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccc(OC)cc1	ZINC000293892064	537618743	/nfs/dbraw/zinc/61/87/43/537618743.db2.gz	DNAYQGJKLSKBQD-UYAOXDASSA-N	1	0	371.481	1.676	20	30		FDEDRO
CN1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1c1nc(C2CC2)no1	ZINC000329028721	537633669	/nfs/dbraw/zinc/63/36/69/537633669.db2.gz	KODLJIYVVAIYMZ-XJKSGUPXSA-N	1	0	374.489	1.634	20	30		FDEDRO
CC(C)Nc1ncccc1C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1	ZINC000329177042	537636027	/nfs/dbraw/zinc/63/60/27/537636027.db2.gz	MSYFTPNDHOYTAH-MRXNPFEDSA-N	1	0	359.474	1.902	20	30		FDEDRO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN(Cc3cscn3)CC2)C1	ZINC000329832882	537642873	/nfs/dbraw/zinc/64/28/73/537642873.db2.gz	UDJJNORCEFHGFW-ZBFHGGJFSA-N	1	0	351.520	1.903	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC[N@@H+]1C	ZINC000329831943	537643416	/nfs/dbraw/zinc/64/34/16/537643416.db2.gz	TUVZMSGFJCEZJI-WBVHZDCISA-N	1	0	360.506	1.320	20	30		FDEDRO
CO[C@H]1C[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)N(S(C)(=O)=O)C1	ZINC000329865954	537644240	/nfs/dbraw/zinc/64/42/40/537644240.db2.gz	ARQVUADWZLNVBI-QLFBSQMISA-N	1	0	361.508	1.112	20	30		FDEDRO
CN1CCO[C@H]2CN(C(=O)Nc3cccc(N4CCCNC4=O)c3)C[C@@H]21	ZINC000329916168	537644963	/nfs/dbraw/zinc/64/49/63/537644963.db2.gz	DMVPOYVDUXPCTB-HOTGVXAUSA-N	1	0	359.430	1.371	20	30		FDEDRO
Cc1c(NC(=O)N(C)C)cccc1NC(=O)N1C[C@@H]2OCCN(C)[C@H]2C1	ZINC000329922742	537646877	/nfs/dbraw/zinc/64/68/77/537646877.db2.gz	UBLBPLVJYXHLCX-HOTGVXAUSA-N	1	0	361.446	1.662	20	30		FDEDRO
O=C(CN1CC[NH+](C[C@@H]2CCOC2)CC1)NC[C@@H]1Cc2ccccc2O1	ZINC000330007119	537649543	/nfs/dbraw/zinc/64/95/43/537649543.db2.gz	FPIJQJGNOFBHEH-WMZOPIPTSA-N	1	0	359.470	1.601	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)C[C@H]3CCCC(=O)N3)CC2)cc1	ZINC000290031936	537653300	/nfs/dbraw/zinc/65/33/00/537653300.db2.gz	YGIDTGBRJAZANY-GOSISDBHSA-N	1	0	354.454	1.651	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)NC2CCN(S(=O)(=O)CC)CC2)CC1	ZINC000330421320	537657127	/nfs/dbraw/zinc/65/71/27/537657127.db2.gz	XYDOSPPWIGHYCJ-UHFFFAOYSA-N	1	0	360.524	1.179	20	30		FDEDRO
CN(C)S(=O)(=O)CCC[NH+]1CCC(NC(=O)c2ccsc2)CC1	ZINC000330516971	537657568	/nfs/dbraw/zinc/65/75/68/537657568.db2.gz	GDGRCDUYDDWAKW-UHFFFAOYSA-N	1	0	359.517	1.799	20	30		FDEDRO
CC(C)NC(=O)NC1(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)CCCCC1	ZINC000331003987	537663694	/nfs/dbraw/zinc/66/36/94/537663694.db2.gz	OWMWBEAXLPNHQD-INIZCTEOSA-N	1	0	367.538	1.353	20	30		FDEDRO
CC(C)NC(=O)NC1(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CCCCC1	ZINC000331020038	537664477	/nfs/dbraw/zinc/66/44/77/537664477.db2.gz	XEAQNHKTNFIMIB-INIZCTEOSA-N	1	0	367.538	1.353	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3C)C2)CC1	ZINC000290114711	537673721	/nfs/dbraw/zinc/67/37/21/537673721.db2.gz	GEUKTOFZQGLTQC-SFHVURJKSA-N	1	0	365.485	1.570	20	30		FDEDRO
N#Cc1cc(Br)ccc1C(=O)NCCCN1CCOCC1	ZINC000294285039	537680240	/nfs/dbraw/zinc/68/02/40/537680240.db2.gz	UMYLJJROIFOAFX-UHFFFAOYSA-N	1	0	352.232	1.773	20	30		FDEDRO
C[C@H](c1ccccc1)[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)C(N)=O	ZINC000292237330	537720640	/nfs/dbraw/zinc/72/06/40/537720640.db2.gz	PYFWNCYGSMOOCR-QAPCUYQASA-N	1	0	356.470	1.918	20	30		FDEDRO
CN(C)S(=O)(=O)[C@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)C1	ZINC000285585398	537733701	/nfs/dbraw/zinc/73/37/01/537733701.db2.gz	LHVJDOOZOFJVPC-KRWDZBQOSA-N	1	0	351.472	1.683	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292450871	537737598	/nfs/dbraw/zinc/73/75/98/537737598.db2.gz	ZDLNVUKVQIWKPN-IRXDYDNUSA-N	1	0	357.458	1.990	20	30		FDEDRO
N#CC1(C(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)CCOCC1	ZINC000404205142	537805860	/nfs/dbraw/zinc/80/58/60/537805860.db2.gz	TVQSNYIVVYITSZ-OALUTQOASA-N	1	0	369.465	1.809	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+](C)C[C@H](O)COc2ccc(SC)cc2)C1=O	ZINC000411671347	537817137	/nfs/dbraw/zinc/81/71/37/537817137.db2.gz	LQVBJEHZTLAQSS-WMLDXEAASA-N	1	0	350.484	1.867	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1	ZINC000366679336	537821364	/nfs/dbraw/zinc/82/13/64/537821364.db2.gz	NHIHOMWCIIWGIZ-RTBURBONSA-N	1	0	364.534	1.637	20	30		FDEDRO
C#CCOc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1	ZINC000371757058	537829727	/nfs/dbraw/zinc/82/97/27/537829727.db2.gz	JZHOESVJGOITOB-LJQANCHMSA-N	1	0	355.482	1.939	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(C(=O)C#Cc3ccc4c(c3)OCO4)CC2)C1	ZINC000372014263	537842597	/nfs/dbraw/zinc/84/25/97/537842597.db2.gz	WMUGHPKNIFFGIW-KRWDZBQOSA-N	1	0	355.438	1.005	20	30		FDEDRO
N#Cc1cccc(-n2ccc(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)n2)c1	ZINC000376129815	537842942	/nfs/dbraw/zinc/84/29/42/537842942.db2.gz	GVGNPWTWOYQJQE-DLBZAZTESA-N	1	0	351.410	1.337	20	30		FDEDRO
CN(C(=O)NCC1(CC#N)CC1)C1CC[NH+](CC(=O)N2CCCC2)CC1	ZINC000366756792	537845680	/nfs/dbraw/zinc/84/56/80/537845680.db2.gz	LOJQALPNCJBIKT-UHFFFAOYSA-N	1	0	361.490	1.408	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2	ZINC000418918623	537846703	/nfs/dbraw/zinc/84/67/03/537846703.db2.gz	JDLAJXMBVVLHLZ-CALCHBBNSA-N	1	0	372.494	1.261	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)NCCSCc2ccccc2C#N)[C@@H](C)C[NH2+]1	ZINC000418925357	537850263	/nfs/dbraw/zinc/85/02/63/537850263.db2.gz	PZHQYXSRNWMTPJ-KGLIPLIRSA-N	1	0	360.483	1.116	20	30		FDEDRO
N#C[C@H]1CN(S(=O)(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CCO1	ZINC000409571550	537862370	/nfs/dbraw/zinc/86/23/70/537862370.db2.gz	ASJODHFPYIGKDT-KRWDZBQOSA-N	1	0	370.519	1.044	20	30		FDEDRO
C[NH+]1CCC(C)(CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1	ZINC000372077149	537864429	/nfs/dbraw/zinc/86/44/29/537864429.db2.gz	FHUXNJAEDUUNBF-UHFFFAOYSA-N	1	0	353.430	1.992	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)c1	ZINC000411975184	537918236	/nfs/dbraw/zinc/91/82/36/537918236.db2.gz	ZNYDCBYAEAHEEJ-NRFANRHFSA-N	1	0	362.433	1.303	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000367053324	537926537	/nfs/dbraw/zinc/92/65/37/537926537.db2.gz	PUVDJDAGCHVCTA-YLJYHZDGSA-N	1	0	370.497	1.616	20	30		FDEDRO
C[C@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000367053322	537927778	/nfs/dbraw/zinc/92/77/78/537927778.db2.gz	PUVDJDAGCHVCTA-PXNSSMCTSA-N	1	0	370.497	1.616	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC[C@@H]1[NH3+]	ZINC000419104316	537940524	/nfs/dbraw/zinc/94/05/24/537940524.db2.gz	AJTFWVDBFLOMGD-WFASDCNBSA-N	1	0	367.371	1.369	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)Nc2cc(C)n(-c3cccc(C#N)c3)n2)C1	ZINC000372464669	537959541	/nfs/dbraw/zinc/95/95/41/537959541.db2.gz	NIEGDNODCFGDBK-INIZCTEOSA-N	1	0	368.441	1.895	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2	ZINC000415177434	537971072	/nfs/dbraw/zinc/97/10/72/537971072.db2.gz	YYNDRVJBACOSNR-UHFFFAOYSA-N	1	0	369.421	1.957	20	30		FDEDRO
COCCN(CC[NH+](C)C)C(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1	ZINC000372681070	537998991	/nfs/dbraw/zinc/99/89/91/537998991.db2.gz	OGNBTVZBUCBVQF-GOSISDBHSA-N	1	0	373.501	1.515	20	30		FDEDRO
CC[N@H+](CCC1CCN(C(=O)C(=O)N(C)C[C@@H](C)C#N)CC1)CC1CC1	ZINC000410856153	538000740	/nfs/dbraw/zinc/00/07/40/538000740.db2.gz	PSOAQYIKJWFTKP-INIZCTEOSA-N	1	0	362.518	1.965	20	30		FDEDRO
N#CCCCCS(=O)(=O)NC[C@H]1CCCN(Cc2cccnc2)C1	ZINC000369181355	538002089	/nfs/dbraw/zinc/00/20/89/538002089.db2.gz	WYSSJBAOZXJHLX-QGZVFWFLSA-N	1	0	350.488	1.907	20	30		FDEDRO
C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1	ZINC000369218071	538006085	/nfs/dbraw/zinc/00/60/85/538006085.db2.gz	FLSRDPXOQSSJGB-MJGOQNOKSA-N	1	0	355.486	1.541	20	30		FDEDRO
C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCN(C2CC2)[C@H](C#N)C1	ZINC000369218072	538006112	/nfs/dbraw/zinc/00/61/12/538006112.db2.gz	FLSRDPXOQSSJGB-PKOBYXMFSA-N	1	0	355.486	1.541	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H]1CCCN(Cc2noc(CC)n2)C1	ZINC000369246660	538007376	/nfs/dbraw/zinc/00/73/76/538007376.db2.gz	YOBRWYUQGRYMQD-MRXNPFEDSA-N	1	0	363.506	1.953	20	30		FDEDRO
C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)C1	ZINC000415361852	538024597	/nfs/dbraw/zinc/02/45/97/538024597.db2.gz	NVLUTTQPRFDUOJ-AWEZNQCLSA-N	1	0	369.450	1.831	20	30		FDEDRO
C[NH2+]C[C@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1	ZINC000417581633	538055103	/nfs/dbraw/zinc/05/51/03/538055103.db2.gz	TYVMEDIYHKUWHA-HZPDHXFCSA-N	1	0	359.449	1.917	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)ccc1OC(F)(F)F	ZINC000415454254	538057595	/nfs/dbraw/zinc/05/75/95/538057595.db2.gz	NSSJBTQJDMIGJL-NSHDSACASA-N	1	0	356.304	1.249	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1	ZINC000369755965	538059693	/nfs/dbraw/zinc/05/96/93/538059693.db2.gz	CAZWPUKAZYJEDT-QGZVFWFLSA-N	1	0	360.502	1.518	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(c2nc3c(cc2C#N)COCC3)CC1	ZINC000450523635	538139441	/nfs/dbraw/zinc/13/94/41/538139441.db2.gz	IRDCVLXBFRLSDZ-UHFFFAOYSA-N	1	0	374.485	1.590	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(C(=O)c3ncc(C#N)cc3Cl)CC2)c1	ZINC000432494525	538152685	/nfs/dbraw/zinc/15/26/85/538152685.db2.gz	OLCUQYJDVXIBMY-UHFFFAOYSA-N	1	0	357.801	1.973	20	30		FDEDRO
C[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)[C@@H]1C[NH3+]	ZINC000423738477	538153820	/nfs/dbraw/zinc/15/38/20/538153820.db2.gz	QSNVYJUWVDYCPM-OLMNPRSZSA-N	1	0	370.453	1.044	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C	ZINC000422100641	538156810	/nfs/dbraw/zinc/15/68/10/538156810.db2.gz	LITRZPZMCBYHSW-QGZVFWFLSA-N	1	0	359.470	1.762	20	30		FDEDRO
C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)NCC(C)(C)CC#N)C1	ZINC000422262931	538195112	/nfs/dbraw/zinc/19/51/12/538195112.db2.gz	RVRQASBQAWDMNF-WBVHZDCISA-N	1	0	356.470	1.994	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1	ZINC000420089859	538213420	/nfs/dbraw/zinc/21/34/20/538213420.db2.gz	SQLJGKPBMVWPQL-KRWDZBQOSA-N	1	0	374.441	1.743	20	30		FDEDRO
N#Cc1cccc([C@@H]2CN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)CCO2)c1	ZINC000420091519	538215544	/nfs/dbraw/zinc/21/55/44/538215544.db2.gz	UVPBIBDXDRZTBR-MSOLQXFVSA-N	1	0	370.453	1.092	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@H](C)C(=O)OC(C)(C)C)CC1	ZINC000422292403	538216127	/nfs/dbraw/zinc/21/61/27/538216127.db2.gz	GSNGYNXSVFWPGH-AWEZNQCLSA-N	1	0	367.490	1.189	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O	ZINC000424173250	538248665	/nfs/dbraw/zinc/24/86/65/538248665.db2.gz	OEDKDHZHXGZFFE-KGLIPLIRSA-N	1	0	352.797	1.722	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000424178471	538250843	/nfs/dbraw/zinc/25/08/43/538250843.db2.gz	WOSQUTVDYQTNBR-ZIAGYGMSSA-N	1	0	368.359	1.726	20	30		FDEDRO
C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)C1	ZINC000433876650	538284460	/nfs/dbraw/zinc/28/44/60/538284460.db2.gz	GEFVGPZCOARAQG-OAHLLOKOSA-N	1	0	358.417	1.826	20	30		FDEDRO
C[C@]1(CNC(=O)CNc2ccc(C#N)cn2)CCC[N@@H+]1Cc1ccccc1	ZINC000428324857	538288095	/nfs/dbraw/zinc/28/80/95/538288095.db2.gz	KIRYYEODOFCKES-OAQYLSRUSA-N	1	0	363.465	2.536	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)Nc3ncccc3OCCCC#N)C[C@H]2[NH3+])cn1	ZINC000424416708	538293666	/nfs/dbraw/zinc/29/36/66/538293666.db2.gz	LXBDDAHEAUKEAI-LSDHHAIUSA-N	1	0	369.429	1.456	20	30		FDEDRO
C[C@H]1C[C@H](NS(=O)(=O)c2cccc(Br)c2C#N)CC[NH2+]1	ZINC000420429653	538294463	/nfs/dbraw/zinc/29/44/63/538294463.db2.gz	AUGWMOILCZFYPX-VHSXEESVSA-N	1	0	358.261	1.740	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000451689281	538303284	/nfs/dbraw/zinc/30/32/84/538303284.db2.gz	IOOCBEACFKVJDJ-NJYVYQBISA-N	1	0	369.509	1.996	20	30		FDEDRO
C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C[C@@H]1C[NH3+]	ZINC000420471472	538303727	/nfs/dbraw/zinc/30/37/27/538303727.db2.gz	ASGIIMXIHOHDIH-JQWIXIFHSA-N	1	0	372.288	1.926	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1	ZINC000443244344	538392921	/nfs/dbraw/zinc/39/29/21/538392921.db2.gz	KZBIVTZDESDNMD-IBGZPJMESA-N	1	0	371.462	1.474	20	30		FDEDRO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1	ZINC000425873825	538414825	/nfs/dbraw/zinc/41/48/25/538414825.db2.gz	QIYLVSGMOXNYCH-GOEBONIOSA-N	1	0	354.454	1.678	20	30		FDEDRO
Cc1cc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)ncc1C#N	ZINC000457783753	538516609	/nfs/dbraw/zinc/51/66/09/538516609.db2.gz	BUBBEEOFWOIOFL-KBXCAEBGSA-N	1	0	352.442	1.808	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1	ZINC000458193665	538574403	/nfs/dbraw/zinc/57/44/03/538574403.db2.gz	PSIMFELHSUSRGN-OAHLLOKOSA-N	1	0	365.499	1.613	20	30		FDEDRO
C[C@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)c1cccc(C#N)c1	ZINC000462147359	538603206	/nfs/dbraw/zinc/60/32/06/538603206.db2.gz	UGTPONWJFNQXRB-AWEZNQCLSA-N	1	0	368.441	1.175	20	30		FDEDRO
C[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1cccc(C#N)c1	ZINC000462255414	538609658	/nfs/dbraw/zinc/60/96/58/538609658.db2.gz	QXYWAHSLNZTEPW-QAPCUYQASA-N	1	0	354.454	1.427	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2cccc(C(=O)NCCOC)c2)CC1	ZINC000488110030	538712745	/nfs/dbraw/zinc/71/27/45/538712745.db2.gz	KPRWAQIYXFDLOE-UHFFFAOYSA-N	1	0	360.458	1.835	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1	ZINC000488178501	538721163	/nfs/dbraw/zinc/72/11/63/538721163.db2.gz	NUCKDKJEJVYEQV-VQIMIIECSA-N	1	0	373.497	1.730	20	30		FDEDRO
C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1	ZINC000473105238	538748241	/nfs/dbraw/zinc/74/82/41/538748241.db2.gz	VKXIBBCHFQXFQK-GOSISDBHSA-N	1	0	365.433	1.064	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ncc(C#N)cc2Cl)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000497474426	538760733	/nfs/dbraw/zinc/76/07/33/538760733.db2.gz	OSBFJOFMGOLLGC-CZUORRHYSA-N	1	0	361.877	1.705	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1C#N	ZINC000489699330	538837159	/nfs/dbraw/zinc/83/71/59/538837159.db2.gz	GWHDSTFMVJCLAB-BHYGNILZSA-N	1	0	364.471	1.134	20	30		FDEDRO
C[C@H](Cn1cccn1)[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000561223851	545756814	/nfs/dbraw/zinc/75/68/14/545756814.db2.gz	HILPQRMNJWQEHX-CVEARBPZSA-N	1	0	372.498	1.332	20	30		FDEDRO
CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(C#N)c(OC)c2)CC1	ZINC000561478495	545869655	/nfs/dbraw/zinc/86/96/55/545869655.db2.gz	ANILSSZRXMJVGA-UHFFFAOYSA-N	1	0	351.472	1.718	20	30		FDEDRO
Cc1cc(N2CC[C@@H](N(C)CCOCc3ccc(C#N)cc3)C2=O)n(C)n1	ZINC000561794667	545954462	/nfs/dbraw/zinc/95/44/62/545954462.db2.gz	UIKCCKZZJYFJRV-GOSISDBHSA-N	1	0	367.453	1.854	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]CCNC(=O)c2ccccc2F)cc1	ZINC000562987928	546343415	/nfs/dbraw/zinc/34/34/15/546343415.db2.gz	VBVRCMHBOHZABH-MRXNPFEDSA-N	1	0	371.412	1.651	20	30		FDEDRO
Cc1ncc2c(n1)CC[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)C2	ZINC000562988809	546344189	/nfs/dbraw/zinc/34/41/89/546344189.db2.gz	SWQRLVCLKNNRBL-ZWKOTPCHSA-N	1	0	352.438	1.738	20	30		FDEDRO
CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000562993906	546346381	/nfs/dbraw/zinc/34/63/81/546346381.db2.gz	RDYGFLAGDQAQCJ-HOCLYGCPSA-N	1	0	370.496	1.277	20	30		FDEDRO
CC(=O)Nc1ccc(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)cn1	ZINC000563002752	546350780	/nfs/dbraw/zinc/35/07/80/546350780.db2.gz	JKMWBDJSKGAFGN-KRWDZBQOSA-N	1	0	354.410	1.636	20	30		FDEDRO
CN1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H](C[NH3+])C1	ZINC000563545683	546582601	/nfs/dbraw/zinc/58/26/01/546582601.db2.gz	RMYIFQAGLIOHJJ-HNNXBMFYSA-N	1	0	354.376	1.341	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)NCC[C@H]3CC[NH2+]C3)C2)c(F)c1	ZINC000563568401	546592236	/nfs/dbraw/zinc/59/22/36/546592236.db2.gz	LBBOFBWAHFUWSS-ZBFHGGJFSA-N	1	0	359.449	1.965	20	30		FDEDRO
CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000563600861	546607601	/nfs/dbraw/zinc/60/76/01/546607601.db2.gz	GRWCJYJPHFYCAG-MRXNPFEDSA-N	1	0	356.474	1.563	20	30		FDEDRO
C=CCn1c(CC(F)(F)F)nnc1N1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000563811111	546693823	/nfs/dbraw/zinc/69/38/23/546693823.db2.gz	ZNSSQQCXHHDTTI-UHFFFAOYSA-N	1	0	374.411	1.169	20	30		FDEDRO
C=CCN(C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1	ZINC000565176563	547235904	/nfs/dbraw/zinc/23/59/04/547235904.db2.gz	GFHNLMFPKTUPAF-MSOLQXFVSA-N	1	0	362.495	1.710	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000565230351	547264142	/nfs/dbraw/zinc/26/41/42/547264142.db2.gz	YCHZBGTUGWBVEC-MSOLQXFVSA-N	1	0	365.518	1.733	20	30		FDEDRO
COC[C@H](C)OC[C@H](O)C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000565535939	547389206	/nfs/dbraw/zinc/38/92/06/547389206.db2.gz	PMEKRSVIOQSCCM-USXIJHARSA-N	1	0	365.449	1.668	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1	ZINC000565764192	547470666	/nfs/dbraw/zinc/47/06/66/547470666.db2.gz	XEGJEKXELFRATA-KRWDZBQOSA-N	1	0	367.540	1.816	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H]4C[N@@H+](C)C[C@H]43)cc2C1=O	ZINC000565888983	547521637	/nfs/dbraw/zinc/52/16/37/547521637.db2.gz	ZVFRPOHZWIBANX-WMLDXEAASA-N	1	0	353.422	1.635	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)cc1Br	ZINC000566067871	547587271	/nfs/dbraw/zinc/58/72/71/547587271.db2.gz	GRTRBEVRAULHII-NSHDSACASA-N	1	0	372.288	1.989	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CCN(c3ncccc3F)C2)c1	ZINC000566112832	547609283	/nfs/dbraw/zinc/60/92/83/547609283.db2.gz	TVTBRSVUQLBAMZ-OAHLLOKOSA-N	1	0	374.441	1.735	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)cc1	ZINC000566113665	547609704	/nfs/dbraw/zinc/60/97/04/547609704.db2.gz	URHKGHZIZAFVJI-RDJZCZTQSA-N	1	0	350.440	1.260	20	30		FDEDRO
C[NH+]1CCC(n2ccc(=NC(=O)NCc3ccc(CC#N)cc3)[nH]2)CC1	ZINC000566198356	547654389	/nfs/dbraw/zinc/65/43/89/547654389.db2.gz	NFEKDCBBESMPCI-UHFFFAOYSA-N	1	0	352.442	2.538	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccccn2)ncc1C#N	ZINC000566447039	547762085	/nfs/dbraw/zinc/76/20/85/547762085.db2.gz	IVXZRVXMEDFIQB-UHFFFAOYSA-N	1	0	366.425	1.186	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)C1	ZINC000567247582	548050252	/nfs/dbraw/zinc/05/02/52/548050252.db2.gz	LDZINVFXTLIAFS-XJKSGUPXSA-N	1	0	358.467	1.740	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1	ZINC000567378013	548098232	/nfs/dbraw/zinc/09/82/32/548098232.db2.gz	MKPDRCQIJROXGS-FHLIZLRMSA-N	1	0	352.429	1.506	20	30		FDEDRO
C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C1(c2cc(F)cc(C#N)c2)CC1	ZINC000567397166	548104470	/nfs/dbraw/zinc/10/44/70/548104470.db2.gz	OOSZAOCETHDGBU-HNNXBMFYSA-N	1	0	358.461	1.871	20	30		FDEDRO
C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC(=O)NCC#N)c1	ZINC000567533988	548152085	/nfs/dbraw/zinc/15/20/85/548152085.db2.gz	BRUVIKKLDHFKOW-UHFFFAOYSA-N	1	0	350.422	1.688	20	30		FDEDRO
Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C	ZINC000568648674	548624787	/nfs/dbraw/zinc/62/47/87/548624787.db2.gz	ZPYNJLIJLQCBJI-LBPRGKRZSA-N	1	0	358.467	1.878	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC[C@@H]1CCC[N@H+](C)C1	ZINC000569205870	548832266	/nfs/dbraw/zinc/83/22/66/548832266.db2.gz	OVNVAOQZWPUQCO-HOTGVXAUSA-N	1	0	371.489	1.300	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(-n3cnnc3)cc2)c1C#N	ZINC000569232548	548844109	/nfs/dbraw/zinc/84/41/09/548844109.db2.gz	GCBKEEQTNWAFSB-UHFFFAOYSA-N	1	0	364.413	1.195	20	30		FDEDRO
COc1ccc2c(c1)nc(C[NH2+]C[C@H](O)COc1ccc(C#N)cc1)n2C	ZINC000569232562	548844153	/nfs/dbraw/zinc/84/41/53/548844153.db2.gz	HGCDNDLRNQBHHB-HNNXBMFYSA-N	1	0	366.421	1.983	20	30		FDEDRO
N#Cc1cccnc1OC1CCC(NC(=O)NCC[C@H]2CC[NH2+]C2)CC1	ZINC000569323002	548873726	/nfs/dbraw/zinc/87/37/26/548873726.db2.gz	SIKGQKAXOBIJGG-ODIFPOPNSA-N	1	0	357.458	1.942	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]CCc2cnc3c(Cl)cnn3c2)cc1	ZINC000569687239	549009894	/nfs/dbraw/zinc/00/98/94/549009894.db2.gz	PSRYBLQMFWGHET-HNNXBMFYSA-N	1	0	371.828	1.826	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)CCCO1	ZINC000570358180	549251661	/nfs/dbraw/zinc/25/16/61/549251661.db2.gz	FAJXZMIYABKPKI-INIZCTEOSA-N	1	0	372.469	1.134	20	30		FDEDRO
N#Cc1cccnc1OC1CCC(NC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1	ZINC000570549375	549320816	/nfs/dbraw/zinc/32/08/16/549320816.db2.gz	UVRBFDGUQZJSCL-VEZWFGLTSA-N	1	0	369.469	1.894	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCCS2(=O)=O)cc1	ZINC000570795411	549413356	/nfs/dbraw/zinc/41/33/56/549413356.db2.gz	ZKDYMEJYEXZHNY-DOTOQJQBSA-N	1	0	352.456	1.049	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1	ZINC000571044229	549504556	/nfs/dbraw/zinc/50/45/56/549504556.db2.gz	OIHVFTZPHIEUAT-KRWDZBQOSA-N	1	0	363.893	1.599	20	30		FDEDRO
Cn1cc(N2CCC[C@@H]([NH2+]C[C@H](O)COc3ccc(C#N)cc3)C2)cn1	ZINC000571158804	549546422	/nfs/dbraw/zinc/54/64/22/549546422.db2.gz	XLAYDNUCHBSFEC-AEFFLSMTSA-N	1	0	355.442	1.290	20	30		FDEDRO
C[NH+](C)CCn1ccc(C(=O)N2CCCN(c3ccccc3C#N)CC2)n1	ZINC000571416701	549637533	/nfs/dbraw/zinc/63/75/33/549637533.db2.gz	NFKWJJBJCKXQTC-UHFFFAOYSA-N	1	0	366.469	1.669	20	30		FDEDRO
COc1cc(CNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)ccc1C#N	ZINC000571456600	549651518	/nfs/dbraw/zinc/65/15/18/549651518.db2.gz	OCQBHHMVKYZFMQ-UHFFFAOYSA-N	1	0	366.421	1.883	20	30		FDEDRO
N#CCC[C@@H](NC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1	ZINC000571659640	549726731	/nfs/dbraw/zinc/72/67/31/549726731.db2.gz	OMDXKIFAZKBDEZ-XLIONFOSSA-N	1	0	354.454	1.750	20	30		FDEDRO
Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)NCCC[NH+](C)C	ZINC000571703902	549738541	/nfs/dbraw/zinc/73/85/41/549738541.db2.gz	HBIYIIMSFYEYOH-UHFFFAOYSA-N	1	0	360.845	1.903	20	30		FDEDRO
C[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCC[NH2+]C1	ZINC000572499265	549929389	/nfs/dbraw/zinc/92/93/89/549929389.db2.gz	LHWZQUIAAYFGLI-YXJHDRRASA-N	1	0	369.469	1.741	20	30		FDEDRO
CSC1(CNS(=O)(=O)Cc2ccc(C#N)cc2)CC[NH+](C)CC1	ZINC000572767260	549990337	/nfs/dbraw/zinc/99/03/37/549990337.db2.gz	IOZHLFLRWPUSSD-UHFFFAOYSA-N	1	0	353.513	1.805	20	30		FDEDRO
C=CCc1cc(CNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc(OC)c1OC	ZINC000573001175	550043327	/nfs/dbraw/zinc/04/33/27/550043327.db2.gz	GSWIEUAVYHZUOV-OLZOCXBDSA-N	1	0	363.458	1.291	20	30		FDEDRO
N#Cc1cccc(OCCC[N@H+]2CCC[C@@](O)(C(=O)N3CCCC3)C2)c1	ZINC000573113340	550067524	/nfs/dbraw/zinc/06/75/24/550067524.db2.gz	BGEGVFKSKNZUOT-FQEVSTJZSA-N	1	0	357.454	1.776	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000573283023	550103304	/nfs/dbraw/zinc/10/33/04/550103304.db2.gz	ZATCLCULYXQZTQ-UHFFFAOYSA-N	1	0	370.494	1.342	20	30		FDEDRO
CCC1(CC)[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C[C@H]1OC	ZINC000573478970	550147492	/nfs/dbraw/zinc/14/74/92/550147492.db2.gz	DULQUUNFGBJOBK-HUUCEWRRSA-N	1	0	351.472	1.910	20	30		FDEDRO
CC(C)[C@H]([NH2+]Cc1ccc(C#N)cn1)C(=O)N(C)Cc1nnc2n1CCC2	ZINC000573503327	550153185	/nfs/dbraw/zinc/15/31/85/550153185.db2.gz	UMSCMYVHOSWBPN-SFHVURJKSA-N	1	0	367.457	1.264	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)N[C@H](C)C[C@H](C)[NH3+])c(C#N)cn1CCOC	ZINC000573684524	550192268	/nfs/dbraw/zinc/19/22/68/550192268.db2.gz	YJLHMNNKJOGMGQ-NWDGAFQWSA-N	1	0	365.434	1.430	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)CN1CCC(CO)([NH2+]C(C)C)CC1	ZINC000573860295	550222984	/nfs/dbraw/zinc/22/29/84/550222984.db2.gz	QXSZLUMKTCSXOC-IBGZPJMESA-N	1	0	362.514	1.980	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]C[C@@H](c3cccs3)N3CCOCC3)cnc12	ZINC000574022482	550247504	/nfs/dbraw/zinc/24/75/04/550247504.db2.gz	WMPYFFQTIZWAJY-INIZCTEOSA-N	1	0	368.466	1.826	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1	ZINC000574105520	550258305	/nfs/dbraw/zinc/25/83/05/550258305.db2.gz	YPEVXMPSOOYJMS-HXUWFJFHSA-N	1	0	370.453	1.336	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H](CO)Cc2ccc(F)cc2)cc1	ZINC000574519758	550327602	/nfs/dbraw/zinc/32/76/02/550327602.db2.gz	ZZLBEIBPZIKMKK-RTBURBONSA-N	1	0	358.413	1.825	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1	ZINC000575029287	550412013	/nfs/dbraw/zinc/41/20/13/550412013.db2.gz	AHZQYTNECXONMB-MSOLQXFVSA-N	1	0	365.518	1.712	20	30		FDEDRO
CS(=O)(=O)c1ccc(F)c(C[NH2+]C[C@@H]2CNc3c(C#N)cnn3C2)c1	ZINC000575046182	550415304	/nfs/dbraw/zinc/41/53/04/550415304.db2.gz	FYZSPEJVQQGFAI-LLVKDONJSA-N	1	0	363.418	1.129	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)cc1	ZINC000575401284	550460141	/nfs/dbraw/zinc/46/01/41/550460141.db2.gz	QUCWQCPZPKHGDX-ROUUACIJSA-N	1	0	365.433	1.972	20	30		FDEDRO
CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-]	ZINC000575409543	550460978	/nfs/dbraw/zinc/46/09/78/550460978.db2.gz	PNUNCTFJMHBJHS-UONOGXRCSA-N	1	0	352.416	1.416	20	30		FDEDRO
CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000575741969	550470591	/nfs/dbraw/zinc/47/05/91/550470591.db2.gz	ZIITYYJAKMVRBM-WBPRFABPSA-N	1	0	369.512	1.396	20	30		FDEDRO
N#Cc1cccc(CCNC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)c1	ZINC000575900211	550488801	/nfs/dbraw/zinc/48/88/01/550488801.db2.gz	PJZRDHPZYMBKOI-UHFFFAOYSA-N	1	0	355.486	1.616	20	30		FDEDRO
CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC(=O)NCc3cccc(C#N)c3)[C@@H]2C1	ZINC000576142902	550515552	/nfs/dbraw/zinc/51/55/52/550515552.db2.gz	BWHSWNXROMOEOO-OTWHNJEPSA-N	1	0	354.454	1.411	20	30		FDEDRO
CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2cccc(C#N)n2)C1	ZINC000576345246	550538320	/nfs/dbraw/zinc/53/83/20/550538320.db2.gz	RFXQUSLWDDXVIU-CQSZACIVSA-N	1	0	357.458	1.909	20	30		FDEDRO
CC[C@@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)c1ccco1	ZINC000576772744	550584681	/nfs/dbraw/zinc/58/46/81/550584681.db2.gz	SPIBQOKVPACMKX-TZMCWYRMSA-N	1	0	355.398	1.730	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]CCCNC(=O)c2ccccc2)cc1	ZINC000576864052	550594317	/nfs/dbraw/zinc/59/43/17/550594317.db2.gz	POEUSUKQUWDYGF-GOSISDBHSA-N	1	0	353.422	1.708	20	30		FDEDRO
N#Cc1ncccc1S(=O)(=O)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1	ZINC000576874524	550595454	/nfs/dbraw/zinc/59/54/54/550595454.db2.gz	SQEDHSGLIGPSPJ-ZBFHGGJFSA-N	1	0	374.441	1.764	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c1	ZINC000577494407	550662582	/nfs/dbraw/zinc/66/25/82/550662582.db2.gz	RTPAYIGDTGEFER-SFHVURJKSA-N	1	0	363.483	1.367	20	30		FDEDRO
N#CCCC1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CC1	ZINC000577730339	550688346	/nfs/dbraw/zinc/68/83/46/550688346.db2.gz	OHVQGWPTWPRUNI-MSOLQXFVSA-N	1	0	360.502	1.909	20	30		FDEDRO
C=CCC[C@H](CO)NC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000578038315	550721722	/nfs/dbraw/zinc/72/17/22/550721722.db2.gz	QLNUGODTHCJPMM-MOPGFXCFSA-N	1	0	360.502	1.601	20	30		FDEDRO
CCN(Cc1ccccc1)C(=O)C[NH2+]C[C@H](O)COc1ccc(C#N)cc1	ZINC000578231967	550742453	/nfs/dbraw/zinc/74/24/53/550742453.db2.gz	AMNNEQBDDDCOJU-IBGZPJMESA-N	1	0	367.449	1.936	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1	ZINC000578640326	550786044	/nfs/dbraw/zinc/78/60/44/550786044.db2.gz	TZKGABNQSXUHMK-GXTWGEPZSA-N	1	0	368.840	1.380	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC[C@H](C[NH3+])C2)cc1Br	ZINC000579229618	550850173	/nfs/dbraw/zinc/85/01/73/550850173.db2.gz	MDWIDHAGGCNRSM-SNVBAGLBSA-N	1	0	358.261	1.680	20	30		FDEDRO
C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NC1CCC(Oc2ncccc2C#N)CC1	ZINC000579333055	550860948	/nfs/dbraw/zinc/86/09/48/550860948.db2.gz	NPAMZBIHOKMREY-LYAPFXNSSA-N	1	0	357.458	1.940	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)C1CCN(CC(F)(F)F)CC1	ZINC000580966935	551038368	/nfs/dbraw/zinc/03/83/68/551038368.db2.gz	SOVSXLYKEXLTCN-CQSZACIVSA-N	1	0	373.423	1.895	20	30		FDEDRO
CN(C)C(=O)Cn1c2c(cc(C#N)c1=O)C[N@@H+](Cc1ccccc1)CC2	ZINC000581381203	551082782	/nfs/dbraw/zinc/08/27/82/551082782.db2.gz	TZQGKUQESZDXIU-UHFFFAOYSA-N	1	0	350.422	1.366	20	30		FDEDRO
CCOc1ccc(NC(=O)C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)cc1	ZINC000581484020	551093773	/nfs/dbraw/zinc/09/37/73/551093773.db2.gz	PYUAIPLLURTIRD-KRWDZBQOSA-N	1	0	369.421	1.925	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc(C[NH3+])cc1	ZINC000581606016	551111145	/nfs/dbraw/zinc/11/11/45/551111145.db2.gz	MCSOKLRSVLSKMW-CQSZACIVSA-N	1	0	365.441	1.227	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C	ZINC000581718226	551126645	/nfs/dbraw/zinc/12/66/45/551126645.db2.gz	BJEPBAJINBDGBF-BBRMVZONSA-N	1	0	356.426	1.591	20	30		FDEDRO
CN(C)[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1cccs1	ZINC000581968312	551156694	/nfs/dbraw/zinc/15/66/94/551156694.db2.gz	BWERLJYRQCJXCF-CQSZACIVSA-N	1	0	364.496	1.681	20	30		FDEDRO
CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(C#N)n1	ZINC000582300221	551203944	/nfs/dbraw/zinc/20/39/44/551203944.db2.gz	LXYQBFKQNPUKMJ-HOCLYGCPSA-N	1	0	357.458	1.909	20	30		FDEDRO
C[C@H]1C[N@H+](CCC[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CCCO1	ZINC000582541728	551238712	/nfs/dbraw/zinc/23/87/12/551238712.db2.gz	GQYSHSBXGBMYAT-HKUYNNGSSA-N	1	0	361.486	1.583	20	30		FDEDRO
CCN1CCC([NH+]2CCC(C(=O)N3CCSC[C@@H]3C#N)CC2)CC1	ZINC000582914079	551280909	/nfs/dbraw/zinc/28/09/09/551280909.db2.gz	AKXXBMQIDAMQOR-KRWDZBQOSA-N	1	0	350.532	1.650	20	30		FDEDRO
C[C@H](C#N)CN(C)C(=O)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1	ZINC000582976289	551287433	/nfs/dbraw/zinc/28/74/33/551287433.db2.gz	OYAFZCBRYDFOEY-SJLPKXTDSA-N	1	0	356.470	1.380	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNc1nc(C)c(S(N)(=O)=O)s1)C(C)C	ZINC000583036899	551294873	/nfs/dbraw/zinc/29/48/73/551294873.db2.gz	ZSJOVOVJIRTMSE-CYBMUJFWSA-N	1	0	358.533	2.209	20	30		FDEDRO
COCC(COC)[NH+]1CCN(c2cccc(-n3cccn3)c2C#N)CC1	ZINC000583214775	551320610	/nfs/dbraw/zinc/32/06/10/551320610.db2.gz	UIPNXXFTNUKWRT-UHFFFAOYSA-N	1	0	355.442	1.527	20	30		FDEDRO
CC(C)[C@](C)(CO)[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000583410559	551347544	/nfs/dbraw/zinc/34/75/44/551347544.db2.gz	UHPFZEUJJDTIRC-QAPCUYQASA-N	1	0	364.515	1.454	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1	ZINC000583444582	551352711	/nfs/dbraw/zinc/35/27/11/551352711.db2.gz	FFBKIZQWFOGVLE-KRWDZBQOSA-N	1	0	354.454	1.650	20	30		FDEDRO
N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCC([NH+]3CCCCC3)CC1)CC2	ZINC000583826197	551407503	/nfs/dbraw/zinc/40/75/03/551407503.db2.gz	ZMYALJCPAFDNSA-UHFFFAOYSA-N	1	0	366.465	1.924	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC3(CC2)CCS(=O)(=O)CC3)CC1	ZINC000584386558	551489262	/nfs/dbraw/zinc/48/92/62/551489262.db2.gz	VXYBRWCGTKPBGZ-UHFFFAOYSA-N	1	0	369.531	1.637	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccc(C#N)cc1	ZINC000585713200	551586153	/nfs/dbraw/zinc/58/61/53/551586153.db2.gz	JNXAKIPJYZMXHI-YJBOKZPZSA-N	1	0	354.454	1.822	20	30		FDEDRO
C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NCc2ccc(C#N)cc2F)C1	ZINC000585717292	551586493	/nfs/dbraw/zinc/58/64/93/551586493.db2.gz	HXUHOHNFQKOCIA-HUUCEWRRSA-N	1	0	374.460	1.798	20	30		FDEDRO
N#CCCCCNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1	ZINC000585729617	551588921	/nfs/dbraw/zinc/58/89/21/551588921.db2.gz	QWIWCOSZXFFXQU-UHFFFAOYSA-N	1	0	352.504	1.274	20	30		FDEDRO
CCC[NH+]1CCC(CNC(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)CC1	ZINC000585775158	551597554	/nfs/dbraw/zinc/59/75/54/551597554.db2.gz	NUPZSEFODOVQGX-HNNXBMFYSA-N	1	0	356.470	1.974	20	30		FDEDRO
C[N@@H+]1CCCN(CCCNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1	ZINC000586780233	551618562	/nfs/dbraw/zinc/61/85/62/551618562.db2.gz	PKMXIIPMNBCLHW-UHFFFAOYSA-N	1	0	358.461	1.873	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c(F)c1	ZINC000586860670	551627040	/nfs/dbraw/zinc/62/70/40/551627040.db2.gz	MVDMEUJQBHZZEC-INIZCTEOSA-N	1	0	358.417	1.400	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1	ZINC000587663641	551633320	/nfs/dbraw/zinc/63/33/20/551633320.db2.gz	AJCSAEIOTRNAJQ-QGTPRVQTSA-N	1	0	354.454	1.821	20	30		FDEDRO
CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)C1	ZINC000587706100	551634844	/nfs/dbraw/zinc/63/48/44/551634844.db2.gz	UXZVSNOGFCJHFY-NVXWUHKLSA-N	1	0	356.470	1.926	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1)c1cccc(C#N)c1	ZINC000587721550	551635040	/nfs/dbraw/zinc/63/50/40/551635040.db2.gz	YAPNOCJHTVQCCE-OAHLLOKOSA-N	1	0	356.470	1.974	20	30		FDEDRO
COC1CC[NH+](CCNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000587909846	551636461	/nfs/dbraw/zinc/63/64/61/551636461.db2.gz	JWHCRVCPEZDSSZ-MRXNPFEDSA-N	1	0	374.460	1.751	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(C(=O)CNc2ccc(C#N)cc2)CC1	ZINC000588025060	551641657	/nfs/dbraw/zinc/64/16/57/551641657.db2.gz	GXLPTTWMIYDTQE-UHFFFAOYSA-N	1	0	374.485	1.556	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC[N@H+](C)C2)cc1	ZINC000588293348	551664647	/nfs/dbraw/zinc/66/46/47/551664647.db2.gz	HKRGAZKHBUSTLL-TZMCWYRMSA-N	1	0	350.444	1.588	20	30		FDEDRO
COC(=O)C[C@H]1CCCCN1CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000588958794	551700898	/nfs/dbraw/zinc/70/08/98/551700898.db2.gz	PRZDNWANMPDPIW-CQSZACIVSA-N	1	0	351.428	1.145	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2cc(O)cc(C#N)c2)c1	ZINC000589176486	551715359	/nfs/dbraw/zinc/71/53/59/551715359.db2.gz	GLOKVEWPKAGPCI-UHFFFAOYSA-N	1	0	366.421	1.485	20	30		FDEDRO
COc1cc(CNC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccc1C#N	ZINC000589709522	551744055	/nfs/dbraw/zinc/74/40/55/551744055.db2.gz	DOXYSRVYZDYFDZ-DLBZAZTESA-N	1	0	358.442	1.307	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3CCC[N@H+]3CCOC)cc2C1=O	ZINC000590119274	551761372	/nfs/dbraw/zinc/76/13/72/551761372.db2.gz	XCVDSRIXSGSGJK-OAHLLOKOSA-N	1	0	371.437	1.309	20	30		FDEDRO
C[N@@H+]1CCCN(CCCNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1	ZINC000590246885	551767107	/nfs/dbraw/zinc/76/71/07/551767107.db2.gz	FAAVHNCWMJRSOB-UHFFFAOYSA-N	1	0	369.391	1.729	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1C#N	ZINC000590280423	551769581	/nfs/dbraw/zinc/76/95/81/551769581.db2.gz	HJLKEFRUFRQQNH-CZUORRHYSA-N	1	0	356.426	1.446	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3ccccc3SCCC#N)[C@@H]2C1	ZINC000590281127	551769870	/nfs/dbraw/zinc/76/98/70/551769870.db2.gz	MFQOMJKZOTVVBE-DZGCQCFKSA-N	1	0	358.467	1.793	20	30		FDEDRO
C[NH+](C)C[C@H](CO)NC(=O)c1cccc(OCc2ccccc2C#N)c1	ZINC000590369405	551776617	/nfs/dbraw/zinc/77/66/17/551776617.db2.gz	FFBOWZLSQJXSCC-GOSISDBHSA-N	1	0	353.422	1.790	20	30		FDEDRO
N#Cc1ccc(CNC(=O)NC[C@H]2CCC[N@H+]2CCCO)cc1Cl	ZINC000590941108	551828533	/nfs/dbraw/zinc/82/85/33/551828533.db2.gz	IGWIDJSBVZDQFO-OAHLLOKOSA-N	1	0	350.850	1.858	20	30		FDEDRO
C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	ZINC000591292593	551857102	/nfs/dbraw/zinc/85/71/02/551857102.db2.gz	XLQYNFFQKHBWLK-CYBMUJFWSA-N	1	0	365.393	1.504	20	30		FDEDRO
N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NC[C@H]3CCC[NH2+]3)cn2)cc1	ZINC000591294619	551857379	/nfs/dbraw/zinc/85/73/79/551857379.db2.gz	SCIYGRQZXWJBCZ-CQSZACIVSA-N	1	0	365.393	1.552	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)n1	ZINC000591297518	551857929	/nfs/dbraw/zinc/85/79/29/551857929.db2.gz	YWJRXZPQGOFGIB-SWLSCSKDSA-N	1	0	354.389	2.099	20	30		FDEDRO
N#CCCSc1ccccc1NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1	ZINC000591305083	551859603	/nfs/dbraw/zinc/85/96/03/551859603.db2.gz	UFDGFVXTPXHLFG-DZGCQCFKSA-N	1	0	358.467	1.841	20	30		FDEDRO
C[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1	ZINC000591304924	551859664	/nfs/dbraw/zinc/85/96/64/551859664.db2.gz	SRWSYFOZKOKASV-GFCCVEGCSA-N	1	0	368.441	1.443	20	30		FDEDRO
C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000591306472	551859821	/nfs/dbraw/zinc/85/98/21/551859821.db2.gz	RDZIASHHWNTOMS-JQWIXIFHSA-N	1	0	372.322	1.674	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1	ZINC000591309174	551860292	/nfs/dbraw/zinc/86/02/92/551860292.db2.gz	ZPAUBJRWNQDGFH-GJZGRUSLSA-N	1	0	356.426	1.353	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCOC4(C[NH2+]C4)C3)C2)c(F)c1	ZINC000591351751	551865088	/nfs/dbraw/zinc/86/50/88/551865088.db2.gz	SEEVIPMWGJEPFZ-HNNXBMFYSA-N	1	0	373.432	1.050	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@H](C[NH3+])C3CCCC3)C2=O)cc1	ZINC000591357135	551865707	/nfs/dbraw/zinc/86/57/07/551865707.db2.gz	OQOLHAZISOUDTO-ZWKOTPCHSA-N	1	0	369.469	1.476	20	30		FDEDRO
N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)NCC[NH2+]C1CC1	ZINC000591359285	551865952	/nfs/dbraw/zinc/86/59/52/551865952.db2.gz	MMXYQSBWEVEIMA-UHFFFAOYSA-N	1	0	367.457	1.310	20	30		FDEDRO
CC(C)C[C@@H](C[NH3+])NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000591359644	551865968	/nfs/dbraw/zinc/86/59/68/551865968.db2.gz	ZMOGYHPJTGBLKS-AWEZNQCLSA-N	1	0	360.462	1.629	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@H]2CCC[NH2+]CC2)CC1	ZINC000591360408	551866224	/nfs/dbraw/zinc/86/62/24/551866224.db2.gz	RXPQWZBAMAELLN-AWEZNQCLSA-N	1	0	358.446	1.397	20	30		FDEDRO
C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000591374431	551867137	/nfs/dbraw/zinc/86/71/37/551867137.db2.gz	AKPBZLKZXKJFBY-KBPBESRZSA-N	1	0	350.422	1.866	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@H]([NH3+])[C@H](CC)C1	ZINC000591574881	551880814	/nfs/dbraw/zinc/88/08/14/551880814.db2.gz	FXINRUWCBVONST-MSOLQXFVSA-N	1	0	356.470	1.883	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1	ZINC000591885581	551913219	/nfs/dbraw/zinc/91/32/19/551913219.db2.gz	UYVPIOHEGJAVFJ-KDOFPFPSSA-N	1	0	354.454	1.678	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@](O)(CC#N)C1	ZINC000591976342	551922865	/nfs/dbraw/zinc/92/28/65/551922865.db2.gz	RJFOAJYCNUKFEL-YVWKXTFCSA-N	1	0	356.470	1.957	20	30		FDEDRO
N#CC[C@@]1(O)CCN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1	ZINC000592017488	551927262	/nfs/dbraw/zinc/92/72/62/551927262.db2.gz	UGZJZGCTADZWFJ-ZBCRRDGASA-N	1	0	374.407	1.852	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cc(C3CC3)nc3c2c(=O)[nH]n3C)CC1	ZINC000592068663	551935767	/nfs/dbraw/zinc/93/57/67/551935767.db2.gz	QLYZUUUHRRSZRR-UHFFFAOYSA-N	1	0	355.442	1.932	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1ccc(Cl)cc1C#N)CCO2	ZINC000592103817	551942293	/nfs/dbraw/zinc/94/22/93/551942293.db2.gz	LSBGLGQPNLLSAF-UHFFFAOYSA-N	1	0	369.874	1.697	20	30		FDEDRO
CCO[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)[C@@H]1SC	ZINC000592173426	551953795	/nfs/dbraw/zinc/95/37/95/551953795.db2.gz	UABBSQJXEIHUDW-KONPQCLYSA-N	1	0	368.547	1.177	20	30		FDEDRO
CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000592185164	551955278	/nfs/dbraw/zinc/95/52/78/551955278.db2.gz	VCWVWSXCPGAZLJ-CJNGLKHVSA-N	1	0	371.359	1.298	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc1C(F)(F)F	ZINC000592389784	551988080	/nfs/dbraw/zinc/98/80/80/551988080.db2.gz	MDWHMFHXFALRGM-UWVGGRQHSA-N	1	0	351.325	1.555	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1	ZINC000592390371	551988278	/nfs/dbraw/zinc/98/82/78/551988278.db2.gz	HLCYMTALTSDMIW-HZPDHXFCSA-N	1	0	363.483	1.967	20	30		FDEDRO
C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](O)Cc1ccccc1	ZINC000592431597	551994406	/nfs/dbraw/zinc/99/44/06/551994406.db2.gz	MOINKZBEOPXIJM-KXBFYZLASA-N	1	0	358.463	1.914	20	30		FDEDRO
C=CCSc1ccccc1NC(=O)CN1CCC[NH2+]C[C@H]1C(=O)OC	ZINC000592492467	552001781	/nfs/dbraw/zinc/00/17/81/552001781.db2.gz	RKLISGBFBWILJE-HNNXBMFYSA-N	1	0	363.483	1.740	20	30		FDEDRO
C[NH+](C)CCN1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1=O	ZINC000593235818	552075368	/nfs/dbraw/zinc/07/53/68/552075368.db2.gz	VRCJKUMYLCTFGU-UHFFFAOYSA-N	1	0	367.409	1.059	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)COC[C@H]3CCCO3)CC2)c1	ZINC000593352895	552094850	/nfs/dbraw/zinc/09/48/50/552094850.db2.gz	GZAMAMIWBUAYBB-LJQANCHMSA-N	1	0	357.454	1.834	20	30		FDEDRO
COC[C@@H](CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)OC	ZINC000593388990	552100596	/nfs/dbraw/zinc/10/05/96/552100596.db2.gz	PHBFZLNODXNJCF-GOSISDBHSA-N	1	0	360.458	1.483	20	30		FDEDRO
CO[C@@H]1COC[C@@H]1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593415327	552105057	/nfs/dbraw/zinc/10/50/57/552105057.db2.gz	WVODQWYSIRSAHH-ZWKOTPCHSA-N	1	0	358.442	1.236	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NCC3(O)CCOCC3)CC2)c1	ZINC000593512068	552119875	/nfs/dbraw/zinc/11/98/75/552119875.db2.gz	RVWAJIWKQJEQOA-UHFFFAOYSA-N	1	0	372.469	1.363	20	30		FDEDRO
C[C@H](O)[C@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCO1	ZINC000593518861	552121589	/nfs/dbraw/zinc/12/15/89/552121589.db2.gz	XNJPQJGCHADGPS-HNAYVOBHSA-N	1	0	372.469	1.314	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CC[N@@H+](C2CC2)C1	ZINC000593532069	552124721	/nfs/dbraw/zinc/12/47/21/552124721.db2.gz	TVHOXIZAMFXYKS-CYBMUJFWSA-N	1	0	363.439	1.107	20	30		FDEDRO
CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)OC)C1	ZINC000593554515	552131970	/nfs/dbraw/zinc/13/19/70/552131970.db2.gz	XSPIYVFGRKYYNF-AWEZNQCLSA-N	1	0	365.455	1.307	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCCC[N@H+](C)CC(C)C	ZINC000593616257	552153111	/nfs/dbraw/zinc/15/31/11/552153111.db2.gz	JSXCLAUUVHYKRM-UHFFFAOYSA-N	1	0	367.471	1.601	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1	ZINC000593733300	552186484	/nfs/dbraw/zinc/18/64/84/552186484.db2.gz	DWFQGKLSFVROAU-BBWFWOEESA-N	1	0	363.483	1.774	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)c3c[nH]nc3[N+](=O)[O-])CC2)c1	ZINC000593885998	552217035	/nfs/dbraw/zinc/21/70/35/552217035.db2.gz	NGUZBVVFDPSJJD-UHFFFAOYSA-N	1	0	354.370	1.584	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1	ZINC000593906249	552222951	/nfs/dbraw/zinc/22/29/51/552222951.db2.gz	HTYCKGDIRDZJOA-NRXGSXMXSA-N	1	0	370.453	1.089	20	30		FDEDRO
Cc1cc2c(cc1C#N)[nH]nc2NC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C	ZINC000593916322	552225112	/nfs/dbraw/zinc/22/51/12/552225112.db2.gz	HLPUUMRPKDCOPG-ZUEVXXBESA-N	1	0	353.426	2.214	20	30		FDEDRO
CCN1CCC([NH+]2CCC(C(=O)N(CCC#N)CCOC)CC2)CC1	ZINC000594272465	552275557	/nfs/dbraw/zinc/27/55/57/552275557.db2.gz	HMZUMTKWVJXFEP-UHFFFAOYSA-N	1	0	350.507	1.571	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N1CCCN(C(=O)c2ccccc2F)CC1	ZINC000594428767	552308566	/nfs/dbraw/zinc/30/85/66/552308566.db2.gz	OFUDMUPDJGFEBW-KRWDZBQOSA-N	1	0	360.433	1.911	20	30		FDEDRO
CC(=O)N1CCN(c2ccccc2CNC(=O)[C@@H]([NH3+])CCCCC#N)CC1	ZINC000594437053	552309612	/nfs/dbraw/zinc/30/96/12/552309612.db2.gz	HVHIXTLPODFFKO-SFHVURJKSA-N	1	0	371.485	1.383	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1	ZINC000594438352	552309795	/nfs/dbraw/zinc/30/97/95/552309795.db2.gz	OIKDIJGTCOUGJK-INIZCTEOSA-N	1	0	364.471	1.271	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1	ZINC000594437145	552309924	/nfs/dbraw/zinc/30/99/24/552309924.db2.gz	ITOXNXAVUPCJSW-GOSISDBHSA-N	1	0	365.437	1.783	20	30		FDEDRO
Cc1ccc(OCC(=O)N2CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC2)cc1	ZINC000594437554	552309931	/nfs/dbraw/zinc/30/99/31/552309931.db2.gz	MAWLKNNXHJSBGT-SFHVURJKSA-N	1	0	372.469	1.456	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1	ZINC000594442441	552311576	/nfs/dbraw/zinc/31/15/76/552311576.db2.gz	GHUQGLZRSCHUTG-HZPDHXFCSA-N	1	0	370.432	1.926	20	30		FDEDRO
CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]([NH3+])CCCCC#N	ZINC000594442227	552311710	/nfs/dbraw/zinc/31/17/10/552311710.db2.gz	CAVHGXXUUJAPQV-WBVHZDCISA-N	1	0	355.442	1.352	20	30		FDEDRO
COc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)N2CCOCC2)cc1	ZINC000594446667	552312095	/nfs/dbraw/zinc/31/20/95/552312095.db2.gz	WAWZXVIGXLOYFT-RBUKOAKNSA-N	1	0	374.485	1.596	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O	ZINC000594445617	552312128	/nfs/dbraw/zinc/31/21/28/552312128.db2.gz	JCNRHFPAVUXQAD-ZIAGYGMSSA-N	1	0	350.369	1.598	20	30		FDEDRO
COC(=O)c1ccc(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(C#N)n1	ZINC000594565434	552334196	/nfs/dbraw/zinc/33/41/96/552334196.db2.gz	ZBJPJNKSSYUMCL-ZWKOTPCHSA-N	1	0	358.442	1.920	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(C#N)cc1	ZINC000594618629	552341445	/nfs/dbraw/zinc/34/14/45/552341445.db2.gz	FJXCFLXOUSDEEH-BMGDILEWSA-N	1	0	354.454	1.869	20	30		FDEDRO
C[NH+](C)Cc1cccc(NC(=O)C(=O)NCCc2ccc(C#N)cc2)c1	ZINC000595079098	552446370	/nfs/dbraw/zinc/44/63/70/552446370.db2.gz	HVEIPQVOKMVDJP-UHFFFAOYSA-N	1	0	350.422	1.917	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1	ZINC000595114304	552455341	/nfs/dbraw/zinc/45/53/41/552455341.db2.gz	VQZFDCBRJBJLED-KZNAEPCWSA-N	1	0	363.483	1.749	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[C@](C)(C#N)C2)ccc1OCC[NH+](C)C	ZINC000595213049	552492886	/nfs/dbraw/zinc/49/28/86/552492886.db2.gz	QHXQCHSTQMBMAK-LJQANCHMSA-N	1	0	358.442	1.636	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3CC4CC3(C[NH3+])C4)n2)c(Cl)c1	ZINC000595230328	552499017	/nfs/dbraw/zinc/49/90/17/552499017.db2.gz	DVZWZMFMAMQQQH-UHFFFAOYSA-N	1	0	356.817	2.352	20	30		FDEDRO
N#Cc1ccc(CCNC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)cc1	ZINC000595234743	552500731	/nfs/dbraw/zinc/50/07/31/552500731.db2.gz	BZCWJQRALIPCKV-UHFFFAOYSA-N	1	0	351.414	1.122	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000595235172	552500813	/nfs/dbraw/zinc/50/08/13/552500813.db2.gz	JDSNXWWDMGXFTN-MRXNPFEDSA-N	1	0	358.442	1.374	20	30		FDEDRO
N#Cc1sccc1N1CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1	ZINC000595236113	552501238	/nfs/dbraw/zinc/50/12/38/552501238.db2.gz	HWWHJXOOCRGFEV-GFCCVEGCSA-N	1	0	361.393	1.731	20	30		FDEDRO
N#Cc1cccc(C2(NC(=O)N[C@@H](C[NH3+])C(F)(F)F)CCOCC2)c1	ZINC000595236865	552501537	/nfs/dbraw/zinc/50/15/37/552501537.db2.gz	QUBYGBXSYVMWFT-ZDUSSCGKSA-N	1	0	356.348	1.753	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)c(F)c1	ZINC000595239979	552502267	/nfs/dbraw/zinc/50/22/67/552502267.db2.gz	IWMVHESJGRSEET-OAHLLOKOSA-N	1	0	358.417	1.874	20	30		FDEDRO
CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCCc1ccc(C#N)cc1	ZINC000595241016	552502828	/nfs/dbraw/zinc/50/28/28/552502828.db2.gz	ZUHDWQUZWHIPLU-UHFFFAOYSA-N	1	0	350.422	1.965	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1Br	ZINC000595241604	552503064	/nfs/dbraw/zinc/50/30/64/552503064.db2.gz	CWDWFWXAVJGWJJ-VXGBXAGGSA-N	1	0	369.194	1.157	20	30		FDEDRO
N#CCN1CCC(NC(=O)N[C@H]2C[NH2+]CC[C@H]2c2cccc(F)c2)CC1	ZINC000595264750	552507751	/nfs/dbraw/zinc/50/77/51/552507751.db2.gz	CMHNKVZBNPRKDL-ROUUACIJSA-N	1	0	359.449	1.558	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)CCO1	ZINC000595405158	552551753	/nfs/dbraw/zinc/55/17/53/552551753.db2.gz	USEBUIJRBMRPHP-HNNXBMFYSA-N	1	0	355.435	1.429	20	30		FDEDRO
N#Cc1sccc1N1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1	ZINC000595518160	552577264	/nfs/dbraw/zinc/57/72/64/552577264.db2.gz	ZXMIVQOPXYWRLK-OAHLLOKOSA-N	1	0	359.499	1.936	20	30		FDEDRO
CO[C@]1(CO)CCC[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000595661605	552599342	/nfs/dbraw/zinc/59/93/42/552599342.db2.gz	XPGIAXQEUABOJS-JGJLBUBWSA-N	1	0	351.491	1.779	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H]2Cc3ccccc3[C@@H]2C)CC1	ZINC000595703844	552604510	/nfs/dbraw/zinc/60/45/10/552604510.db2.gz	ADRGLCWSOCJHLU-DBVUQKKJSA-N	1	0	354.498	1.997	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000595706299	552605046	/nfs/dbraw/zinc/60/50/46/552605046.db2.gz	YKNHHEZZOVVQIY-JKSUJKDBSA-N	1	0	357.458	1.989	20	30		FDEDRO
COC[C@H](C[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)OC	ZINC000595734941	552608406	/nfs/dbraw/zinc/60/84/06/552608406.db2.gz	RZWIBXOLXUNOSO-KRWDZBQOSA-N	1	0	355.442	1.732	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CC[NH+](C[C@H]4CNC(=O)C4)CC3)n[nH]2)cc1	ZINC000595733630	552608484	/nfs/dbraw/zinc/60/84/84/552608484.db2.gz	NRDVRJKJFSXGOZ-OAHLLOKOSA-N	1	0	350.426	1.206	20	30		FDEDRO
C[C@]12COC[C@@H]1C[N@H+](CC(=O)N1CCN([C@H](C#N)c3cccs3)CC1)C2	ZINC000595759048	552611996	/nfs/dbraw/zinc/61/19/96/552611996.db2.gz	OTCYFCBZNRAQOB-FCEWJHQRSA-N	1	0	374.510	1.425	20	30		FDEDRO
CCCNC(=O)CN(C)C(=O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1	ZINC000595773402	552613470	/nfs/dbraw/zinc/61/34/70/552613470.db2.gz	MAQLKSCUHWGRSS-UHFFFAOYSA-N	1	0	372.469	1.138	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1	ZINC000595808052	552618535	/nfs/dbraw/zinc/61/85/35/552618535.db2.gz	RTHHIPSTHUAQKY-GJZGRUSLSA-N	1	0	357.462	1.053	20	30		FDEDRO
CC(C)NC(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000595851222	552623498	/nfs/dbraw/zinc/62/34/98/552623498.db2.gz	PTYLAWQVEPXCJJ-MSOLQXFVSA-N	1	0	359.470	1.729	20	30		FDEDRO
Cc1oc(NC(=O)[C@@H](C)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(C#N)c1C	ZINC000595864945	552625480	/nfs/dbraw/zinc/62/54/80/552625480.db2.gz	XULPCDYJSZGBOI-CJNGLKHVSA-N	1	0	360.458	1.626	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)C2=O)cc1	ZINC000595864900	552625516	/nfs/dbraw/zinc/62/55/16/552625516.db2.gz	WWLKRPIQYZBZHU-UXHICEINSA-N	1	0	368.481	1.585	20	30		FDEDRO
CCOC(=O)CC1([NH2+]CC(=O)NC2(C#N)CCCCC2)CCOCC1	ZINC000595883843	552628189	/nfs/dbraw/zinc/62/81/89/552628189.db2.gz	BDZPZAOQABXLFU-UHFFFAOYSA-N	1	0	351.447	1.421	20	30		FDEDRO
C=CC[C@@]1(C(=O)NC[C@H](Cc2ccccc2OC)C(=O)OC)CCC[NH2+]1	ZINC000595955717	552638128	/nfs/dbraw/zinc/63/81/28/552638128.db2.gz	HKBSVIYIUMGRLN-JXFKEZNVSA-N	1	0	360.454	1.841	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1	ZINC000595988632	552641600	/nfs/dbraw/zinc/64/16/00/552641600.db2.gz	PUMOOMUEYWJXSD-IBGZPJMESA-N	1	0	368.481	1.755	20	30		FDEDRO
N#Cc1cc2cccnc2nc1N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1	ZINC000596262272	552669244	/nfs/dbraw/zinc/66/92/44/552669244.db2.gz	YLCKECDPUXAGAM-MRXNPFEDSA-N	1	0	350.426	1.292	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)cc1	ZINC000596407734	552677035	/nfs/dbraw/zinc/67/70/35/552677035.db2.gz	GHKHKSKGGWYVCB-SFHVURJKSA-N	1	0	372.469	1.833	20	30		FDEDRO
CN1CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCC1=O	ZINC000596648197	552696741	/nfs/dbraw/zinc/69/67/41/552696741.db2.gz	LATPMJXPKUQAHK-UHFFFAOYSA-N	1	0	369.469	1.396	20	30		FDEDRO
N#CC1(CC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCOCC1	ZINC000596675002	552700058	/nfs/dbraw/zinc/70/00/58/552700058.db2.gz	NKJZCJYMYKKFPG-UHFFFAOYSA-N	1	0	370.497	1.631	20	30		FDEDRO
N#CCCn1ccc(=NC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)[nH]1	ZINC000596752577	552707214	/nfs/dbraw/zinc/70/72/14/552707214.db2.gz	HTMSWWFJOSPNFA-UHFFFAOYSA-N	1	0	367.457	2.225	20	30		FDEDRO
C[NH+](C)CCn1cc(NC(=O)N2CCN(c3ccsc3C#N)CC2)cn1	ZINC000596780132	552709439	/nfs/dbraw/zinc/70/94/39/552709439.db2.gz	BQCOSXDJQWSFTR-UHFFFAOYSA-N	1	0	373.486	1.732	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)C1	ZINC000596876687	552720183	/nfs/dbraw/zinc/72/01/83/552720183.db2.gz	LNRUCHMBDBPCPX-HIFRSBDPSA-N	1	0	364.471	1.978	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@@H](C[C@@H]1COCCO1)C(F)(F)F	ZINC000596926061	552725009	/nfs/dbraw/zinc/72/50/09/552725009.db2.gz	LEGCOOOKNSQMJA-ZIAGYGMSSA-N	1	0	365.396	1.664	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc(F)c(C#N)c(F)c1	ZINC000597061162	552740928	/nfs/dbraw/zinc/74/09/28/552740928.db2.gz	OPTRVXJXYWGJNH-INIZCTEOSA-N	1	0	364.396	1.509	20	30		FDEDRO
N#CCCn1cc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c(-c2ccncc2)n1	ZINC000597204330	552760049	/nfs/dbraw/zinc/76/00/49/552760049.db2.gz	AIQURGFAKGKLOR-SJLPKXTDSA-N	1	0	364.453	1.959	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)c1cccc(C#N)c1	ZINC000597254869	552765864	/nfs/dbraw/zinc/76/58/64/552765864.db2.gz	NGYIIFKGOCJWGE-YJBOKZPZSA-N	1	0	372.469	1.305	20	30		FDEDRO
COC(=O)CCN1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)[C@H](C)C1	ZINC000597478421	552794075	/nfs/dbraw/zinc/79/40/75/552794075.db2.gz	REZDTRYFAHXGJE-LLVKDONJSA-N	1	0	351.353	1.546	20	30		FDEDRO
Cc1[nH]c(C#N)cc1C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000597691470	552822397	/nfs/dbraw/zinc/82/23/97/552822397.db2.gz	CXORNVPCMJZYIA-RDJZCZTQSA-N	1	0	359.474	1.502	20	30		FDEDRO
CSc1[n-]c(=O)c(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@@H+]2C)cc1C#N	ZINC000597697676	552823524	/nfs/dbraw/zinc/82/35/24/552823524.db2.gz	YWYROFZZTNQUKK-UONOGXRCSA-N	1	0	362.455	1.316	20	30		FDEDRO
C=CCCSCCNC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1	ZINC000597972680	552852519	/nfs/dbraw/zinc/85/25/19/552852519.db2.gz	OTLSJSUNVYAECA-JKSUJKDBSA-N	1	0	353.532	1.745	20	30		FDEDRO
Cc1onc(CC(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1C#N	ZINC000597989203	552853078	/nfs/dbraw/zinc/85/30/78/552853078.db2.gz	CUWZJGPGLYJXOT-MRXNPFEDSA-N	1	0	354.410	1.280	20	30		FDEDRO
Cn1c(C#N)ccc1C(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1	ZINC000598298080	552884311	/nfs/dbraw/zinc/88/43/11/552884311.db2.gz	ZGNFJOXBTQXVLQ-UHFFFAOYSA-N	1	0	363.465	1.981	20	30		FDEDRO
N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1	ZINC000598451066	552896783	/nfs/dbraw/zinc/89/67/83/552896783.db2.gz	MTYYJMXJFOXTHU-PKOBYXMFSA-N	1	0	352.438	1.298	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1	ZINC000598453078	552897355	/nfs/dbraw/zinc/89/73/55/552897355.db2.gz	ODJLVDNDWBUERH-VQTJNVASSA-N	1	0	368.481	1.585	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[NH+]1CCN(Cc2nnnn2-c2ccccc2)CC1	ZINC000598596705	552913044	/nfs/dbraw/zinc/91/30/44/552913044.db2.gz	TYGSXFJSTKQBSZ-QGZVFWFLSA-N	1	0	369.473	1.081	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O	ZINC000598700972	552926743	/nfs/dbraw/zinc/92/67/43/552926743.db2.gz	SEEUJHDTOCKEJE-CQSZACIVSA-N	1	0	350.463	1.522	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1	ZINC000598721055	552928027	/nfs/dbraw/zinc/92/80/27/552928027.db2.gz	QYEGDNOUMFOLLH-INIZCTEOSA-N	1	0	359.474	1.011	20	30		FDEDRO
N#Cc1cccc(CS(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1	ZINC000599101731	552967864	/nfs/dbraw/zinc/96/78/64/552967864.db2.gz	OQDXXSVTWHFEQW-ZIAGYGMSSA-N	1	0	361.389	1.847	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1C#N	ZINC000599103934	552967980	/nfs/dbraw/zinc/96/79/80/552967980.db2.gz	VLBGYLGVQGWGLR-YPMHNXCESA-N	1	0	362.377	1.410	20	30		FDEDRO
C=CCn1c(-c2cn[nH]c2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1	ZINC000599216586	552989405	/nfs/dbraw/zinc/98/94/05/552989405.db2.gz	VHRLXIZGPPEVDR-KRWDZBQOSA-N	1	0	370.505	1.459	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)N[C@H]3CO[C@@H](C4CC4)C3)CC2)cc1	ZINC000599222054	552991789	/nfs/dbraw/zinc/99/17/89/552991789.db2.gz	QUFQGXSUPXRLOK-RTBURBONSA-N	1	0	354.454	1.953	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)CCOCC1	ZINC000599297827	553019276	/nfs/dbraw/zinc/01/92/76/553019276.db2.gz	PTBVCKYQRVOYGI-IAGOWNOFSA-N	1	0	369.469	1.980	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@@H+](CCC(N)=O)Cc1ccccc1	ZINC000599318950	553025403	/nfs/dbraw/zinc/02/54/03/553025403.db2.gz	WUGHMAJTJWZPEM-GOSISDBHSA-N	1	0	353.422	1.676	20	30		FDEDRO
C[N@H+](C[C@H](O)CC1(C#N)CCOCC1)CC(C)(C)CN1CCOCC1	ZINC000599336472	553030889	/nfs/dbraw/zinc/03/08/89/553030889.db2.gz	NCOWOGBVELLCIP-QGZVFWFLSA-N	1	0	353.507	1.348	20	30		FDEDRO
CC(=O)N1CC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)CC12CCCCC2	ZINC000599339856	553031882	/nfs/dbraw/zinc/03/18/82/553031882.db2.gz	WNVAHPBYEIDVRC-GOSISDBHSA-N	1	0	363.502	1.925	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1ccc(-n2cncn2)cc1	ZINC000599344509	553032682	/nfs/dbraw/zinc/03/26/82/553032682.db2.gz	DSFRXLGCOQSCTO-QAPCUYQASA-N	1	0	355.442	1.989	20	30		FDEDRO
C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1ccc(-n2cncn2)cc1	ZINC000599344507	553032788	/nfs/dbraw/zinc/03/27/88/553032788.db2.gz	DSFRXLGCOQSCTO-CRAIPNDOSA-N	1	0	355.442	1.989	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)CCOCC1	ZINC000599352919	553035203	/nfs/dbraw/zinc/03/52/03/553035203.db2.gz	SFXMNUZLRVDBHL-HZPDHXFCSA-N	1	0	359.474	1.933	20	30		FDEDRO
CS[C@@H]1CN(C[C@@H](O)CC2(C#N)CCOCC2)C[C@H]1[NH+]1CCCC1	ZINC000599371734	553038650	/nfs/dbraw/zinc/03/86/50/553038650.db2.gz	QDKQWRDAJYRQFN-GVDBMIGSSA-N	1	0	353.532	1.569	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CC[N@@H+](C[C@@H](O)CC3(C#N)CCOCC3)C2)nc1	ZINC000599427556	553054778	/nfs/dbraw/zinc/05/47/78/553054778.db2.gz	CQNUFAWNVOKZRA-DLBZAZTESA-N	1	0	356.426	1.478	20	30		FDEDRO
COCC[N@@H+](Cc1c(C)nn(C)c1C)C[C@H](O)CC1(C#N)CCOCC1	ZINC000599437905	553056661	/nfs/dbraw/zinc/05/66/61/553056661.db2.gz	SZTZXYOBODLKSZ-QGZVFWFLSA-N	1	0	364.490	1.557	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C	ZINC000599441527	553057850	/nfs/dbraw/zinc/05/78/50/553057850.db2.gz	BSQDMQLMZZNCKC-NUJGCVRESA-N	1	0	364.515	1.965	20	30		FDEDRO
COC(=O)[C@]12C[N@H+](C[C@@H](O)COc3ccccc3C#N)C[C@H]1CCCC2	ZINC000599453782	553061148	/nfs/dbraw/zinc/06/11/48/553061148.db2.gz	ARTWBMHJTIVIFV-MBOZVWFJSA-N	1	0	358.438	1.963	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H](C1CC1)C1(CO)CCOCC1	ZINC000599460280	553063651	/nfs/dbraw/zinc/06/36/51/553063651.db2.gz	VEXXAXHKSJIGAP-IEBWSBKVSA-N	1	0	360.454	1.455	20	30		FDEDRO
N#Cc1ccc(NC(=O)NCC2([NH3+])CCOCC2)cc1Br	ZINC000599603240	553100696	/nfs/dbraw/zinc/10/06/96/553100696.db2.gz	DCEWMAXSTYBWGG-UHFFFAOYSA-N	1	0	353.220	1.950	20	30		FDEDRO
C[N@@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C[C@H]1C[C@@H](O)C1	ZINC000599656492	553114703	/nfs/dbraw/zinc/11/47/03/553114703.db2.gz	VYTGYCNSLNCHJT-OWCLPIDISA-N	1	0	362.499	1.160	20	30		FDEDRO
CCC1([NH+]2CCOCC2)CCN(CC(=O)NC2(C#N)CCCCC2)CC1	ZINC000599668553	553117887	/nfs/dbraw/zinc/11/78/87/553117887.db2.gz	HCOBZDBHESDPGJ-UHFFFAOYSA-N	1	0	362.518	1.906	20	30		FDEDRO
C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C[NH2+]1	ZINC000599896669	553170284	/nfs/dbraw/zinc/17/02/84/553170284.db2.gz	QMCFTEZNGGAWBD-ONGXEEELSA-N	1	0	352.341	1.355	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1C#N	ZINC000599899646	553171023	/nfs/dbraw/zinc/17/10/23/553171023.db2.gz	JLGYMUIMBPUUNL-BGYRXZFFSA-N	1	0	370.453	1.742	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CCC(C[NH+](C)C)CC2)c(F)cc1C#N	ZINC000599934724	553176648	/nfs/dbraw/zinc/17/66/48/553176648.db2.gz	LSYFFKVCUWKQEJ-UHFFFAOYSA-N	1	0	362.405	1.445	20	30		FDEDRO
Cc1cc(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)nn1-c1cccc(C#N)c1	ZINC000599938014	553178259	/nfs/dbraw/zinc/17/82/59/553178259.db2.gz	KEBPDDHDTYTKFX-ZWKOTPCHSA-N	1	0	365.437	1.334	20	30		FDEDRO
N#Cc1cc(Br)ccc1C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1	ZINC000599940138	553179986	/nfs/dbraw/zinc/17/99/86/553179986.db2.gz	LNNWELLWNQEXQS-UONOGXRCSA-N	1	0	364.243	1.602	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c(F)cc1C#N	ZINC000599949207	553182300	/nfs/dbraw/zinc/18/23/00/553182300.db2.gz	WHXNQLXPWWZWQM-GFCCVEGCSA-N	1	0	362.405	1.491	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CCCCC1	ZINC000599957412	553185548	/nfs/dbraw/zinc/18/55/48/553185548.db2.gz	SVFZNXBBXXHQGV-OLZOCXBDSA-N	1	0	374.407	1.562	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c(F)cc1C#N	ZINC000599972333	553189965	/nfs/dbraw/zinc/18/99/65/553189965.db2.gz	XFYLOBGHSRHECZ-LLVKDONJSA-N	1	0	360.389	1.411	20	30		FDEDRO
N#Cc1ccc(N2CCC(C(=O)NCC[N@H+]3CC[C@@H](O)C3)CC2)c(F)c1	ZINC000600535187	553281850	/nfs/dbraw/zinc/28/18/50/553281850.db2.gz	QENKFHQFIUZBFZ-MRXNPFEDSA-N	1	0	360.433	1.097	20	30		FDEDRO
C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]21	ZINC000600669950	553297589	/nfs/dbraw/zinc/29/75/89/553297589.db2.gz	XNFKTNYJVGGHSE-IMRBUKKESA-N	1	0	359.373	1.758	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]CC2(N3CCOCC3)CCCCC2)CCOCC1	ZINC000600713565	553305985	/nfs/dbraw/zinc/30/59/85/553305985.db2.gz	CDEIVIKHEPZOLA-SFHVURJKSA-N	1	0	365.518	1.682	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)CCOCC1	ZINC000600720219	553306568	/nfs/dbraw/zinc/30/65/68/553306568.db2.gz	XUWOEJHTJTUSCJ-PMACEKPBSA-N	1	0	373.497	1.721	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]CCNC(=O)c2ccc(Br)cc2)CC1	ZINC000600719383	553306675	/nfs/dbraw/zinc/30/66/75/553306675.db2.gz	KBAWFTYAXVVKST-AWEZNQCLSA-N	1	0	366.259	1.823	20	30		FDEDRO
CN(C)C(=O)Nc1cccc(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)c1	ZINC000600721480	553307087	/nfs/dbraw/zinc/30/70/87/553307087.db2.gz	AMVLRDDTVZCIKR-KRWDZBQOSA-N	1	0	360.458	1.941	20	30		FDEDRO
COc1cccc2c1OC[C@@H]([NH2+]C[C@H](O)COc1ccccc1C#N)C2	ZINC000600723478	553307495	/nfs/dbraw/zinc/30/74/95/553307495.db2.gz	VDIXLSPCNVDTGN-IRXDYDNUSA-N	1	0	354.406	1.900	20	30		FDEDRO
CS(=O)(=O)Cc1cccc(C[NH2+]C[C@@H](O)COc2ccccc2C#N)c1	ZINC000600725015	553307521	/nfs/dbraw/zinc/30/75/21/553307521.db2.gz	VUQVQSYWPOBGJK-GOSISDBHSA-N	1	0	374.462	1.632	20	30		FDEDRO
CN(C)C1(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)Cc2ccccc2C1	ZINC000600727823	553307858	/nfs/dbraw/zinc/30/78/58/553307858.db2.gz	ZOWOATUTEBYDFC-IBGZPJMESA-N	1	0	357.498	1.747	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]CCCNC(=O)c1ccc(F)cc1	ZINC000600726441	553308029	/nfs/dbraw/zinc/30/80/29/553308029.db2.gz	LJZIUFIGKNNPML-GOSISDBHSA-N	1	0	371.412	1.847	20	30		FDEDRO
CN(CC[NH2+]C[C@H](O)CC1(C#N)CC1)S(=O)(=O)c1ccc(F)cc1	ZINC000600737578	553309130	/nfs/dbraw/zinc/30/91/30/553309130.db2.gz	WKXIPNGECCUHIH-CQSZACIVSA-N	1	0	355.435	1.091	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)CCOCC1	ZINC000600745012	553310466	/nfs/dbraw/zinc/31/04/66/553310466.db2.gz	QKJJRMOBOPKZKF-KGLIPLIRSA-N	1	0	370.396	1.365	20	30		FDEDRO
Cn1c2cc(C[NH2+]C[C@H](O)COc3ccc(C#N)cc3)ccc2oc1=O	ZINC000600754586	553311453	/nfs/dbraw/zinc/31/14/53/553311453.db2.gz	FWXWWVCBOBTTOX-HNNXBMFYSA-N	1	0	353.378	1.533	20	30		FDEDRO
COC(=O)c1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)n(C)n1	ZINC000601019579	553340102	/nfs/dbraw/zinc/34/01/02/553340102.db2.gz	LBQAOMLARPTGJI-UHFFFAOYSA-N	1	0	369.425	1.282	20	30		FDEDRO
CCc1nnc(N[C@H]2CC(=O)N(CC[N@H+](C)CCOC)C2)c(C#N)c1CC	ZINC000601178732	553356908	/nfs/dbraw/zinc/35/69/08/553356908.db2.gz	YECXWODVODDRFW-AWEZNQCLSA-N	1	0	374.489	1.064	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N1CCN(CCC#N)CC1	ZINC000601633099	553448913	/nfs/dbraw/zinc/44/89/13/553448913.db2.gz	PEGSXCNVJPDYMZ-QUCCMNQESA-N	1	0	369.513	1.995	20	30		FDEDRO
C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2cc(F)cc(C#N)c2)C[C@H](C)O1	ZINC000602019238	553502008	/nfs/dbraw/zinc/50/20/08/553502008.db2.gz	JGBMZRNLKSJRTB-STQMWFEESA-N	1	0	362.405	1.251	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CCC(C)([NH+]3CCCC3)CC2)ccc1C#N	ZINC000602058193	553510388	/nfs/dbraw/zinc/51/03/88/553510388.db2.gz	NUFLVRUOOGPBHM-UHFFFAOYSA-N	1	0	355.442	1.677	20	30		FDEDRO
CN(C(=O)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)[C@H]1CCC[C@@H]1C#N	ZINC000602061540	553510922	/nfs/dbraw/zinc/51/09/22/553510922.db2.gz	GHVUXUJJULUAPH-CJNGLKHVSA-N	1	0	358.446	1.239	20	30		FDEDRO
CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N(C)[C@@H]2CCC[C@@H]2C#N)CC1	ZINC000602066867	553512072	/nfs/dbraw/zinc/51/20/72/553512072.db2.gz	KCYRQKUSAGIXGZ-GDBMZVCRSA-N	1	0	372.473	1.629	20	30		FDEDRO
CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCN(CCC#N)CC2)c1	ZINC000602081185	553515580	/nfs/dbraw/zinc/51/55/80/553515580.db2.gz	UQSKKHLJTUXCAK-UHFFFAOYSA-N	1	0	371.485	1.525	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)CC1	ZINC000602089182	553517220	/nfs/dbraw/zinc/51/72/20/553517220.db2.gz	SBYARZJYNHXJJN-HNNXBMFYSA-N	1	0	358.467	1.740	20	30		FDEDRO
N#CCN1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)CC1	ZINC000602105466	553519930	/nfs/dbraw/zinc/51/99/30/553519930.db2.gz	YASGEZAGEGAGIH-CTNGQTDRSA-N	1	0	368.481	1.193	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)N2CCC(Nc3ccccc3C#N)CC2)CC1	ZINC000602188070	553535950	/nfs/dbraw/zinc/53/59/50/553535950.db2.gz	YLBCCISWTWZDJV-UHFFFAOYSA-N	1	0	369.513	1.989	20	30		FDEDRO
N#CCCN1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1	ZINC000602235177	553544977	/nfs/dbraw/zinc/54/49/77/553544977.db2.gz	GFVBXJFOPOKIRZ-UHFFFAOYSA-N	1	0	365.547	1.589	20	30		FDEDRO
N#CC1CCC([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1	ZINC000602504376	553595043	/nfs/dbraw/zinc/59/50/43/553595043.db2.gz	UTBOPTFEBUKSEJ-UHFFFAOYSA-N	1	0	363.483	1.879	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CCN(C(=O)CCC4C[NH2+]C4)CC3)n[nH]2)cc1	ZINC000602524521	553598621	/nfs/dbraw/zinc/59/86/21/553598621.db2.gz	KZHXKBRGKATGIQ-UHFFFAOYSA-N	1	0	364.453	1.597	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1	ZINC000602538974	553602019	/nfs/dbraw/zinc/60/20/19/553602019.db2.gz	NUNADFFIRZYXMT-JKSUJKDBSA-N	1	0	350.850	1.683	20	30		FDEDRO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCS(=O)(=O)N1CCSCC1	ZINC000602540070	553602298	/nfs/dbraw/zinc/60/22/98/553602298.db2.gz	VGPNGYBAGCRITO-AWEZNQCLSA-N	1	0	361.533	1.054	20	30		FDEDRO
C[C@@H](CCC#N)C[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1	ZINC000602542384	553602841	/nfs/dbraw/zinc/60/28/41/553602841.db2.gz	WNFADIUPYYMFBF-ZDUSSCGKSA-N	1	0	357.501	1.798	20	30		FDEDRO
C[C@@H]1C[NH+](C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C[C@@H](C)N1CC#N	ZINC000602847644	553649931	/nfs/dbraw/zinc/64/99/31/553649931.db2.gz	BYXKOJSUZIIESA-INMHGKMJSA-N	1	0	372.469	1.229	20	30		FDEDRO
COCCc1ccc(OC[C@@H](O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1	ZINC000602849192	553650798	/nfs/dbraw/zinc/65/07/98/553650798.db2.gz	JRLACWYENLHAOW-SCTDSRPQSA-N	1	0	361.486	1.533	20	30		FDEDRO
COc1cccc(OC)c1OC[C@@H](O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1	ZINC000602856532	553651894	/nfs/dbraw/zinc/65/18/94/553651894.db2.gz	MYBLCJWWGNBONJ-XHSDSOJGSA-N	1	0	363.458	1.362	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@@H](n4ccnn4)CC3)C2=O)cc1	ZINC000602887595	553660516	/nfs/dbraw/zinc/66/05/16/553660516.db2.gz	IAZUJQJQTUFUAJ-MSOLQXFVSA-N	1	0	350.426	1.982	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](n3ccnn3)CC2)cc1	ZINC000602889044	553660862	/nfs/dbraw/zinc/66/08/62/553660862.db2.gz	QBIZIJPHRUQECJ-ZWKOTPCHSA-N	1	0	355.442	1.811	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C[NH2+][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1	ZINC000602893326	553662988	/nfs/dbraw/zinc/66/29/88/553662988.db2.gz	UTRDCKFULRSGPM-HKUYNNGSSA-N	1	0	357.454	1.474	20	30		FDEDRO
N#Cc1ccccc1NC1CC[NH+](C[C@@H](O)CC2(O)CCOCC2)CC1	ZINC000602897687	553664114	/nfs/dbraw/zinc/66/41/14/553664114.db2.gz	BMWZDJDHRTXSMB-SFHVURJKSA-N	1	0	359.470	1.727	20	30		FDEDRO
Cc1cc(N(CCC#N)C(=O)CN2CCN(C)C[C@@H]2CO)ccc1Cl	ZINC000602904150	553665326	/nfs/dbraw/zinc/66/53/26/553665326.db2.gz	MDTJPKGYHOHLRE-MRXNPFEDSA-N	1	0	364.877	1.503	20	30		FDEDRO
COC[C@@]1(C(=O)OC(C)(C)C)CC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C1	ZINC000602960637	553681060	/nfs/dbraw/zinc/68/10/60/553681060.db2.gz	HDBGQOZSAPNMNG-KBXCAEBGSA-N	1	0	353.463	1.427	20	30		FDEDRO
COC[C@]1(C(=O)OC(C)(C)C)CC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1	ZINC000602961325	553681245	/nfs/dbraw/zinc/68/12/45/553681245.db2.gz	NNOSOBSLCUFJEE-KSSFIOAISA-N	1	0	365.474	1.618	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2cc(F)cc(C#N)c2)CC1	ZINC000603074226	553705692	/nfs/dbraw/zinc/70/56/92/553705692.db2.gz	AATIHRQDQOUYIF-UHFFFAOYSA-N	1	0	361.421	1.715	20	30		FDEDRO
C[C@H](CNc1ccc(C#N)cc1CS(N)(=O)=O)C[NH+]1CCCCC1	ZINC000603276243	553751112	/nfs/dbraw/zinc/75/11/12/553751112.db2.gz	LJOHPMKZZAIRHI-CQSZACIVSA-N	1	0	350.488	1.881	20	30		FDEDRO
COCCOCc1cc(C#N)ccc1N1CCN([C@@H]2CCC[N@H+](C)C2)CC1	ZINC000603297988	553758487	/nfs/dbraw/zinc/75/84/87/553758487.db2.gz	KVCUZEMDQRMXKA-HXUWFJFHSA-N	1	0	372.513	1.937	20	30		FDEDRO
CC(C)(CNc1ccc(C#N)cc1CS(N)(=O)=O)C[NH+]1CCCC1	ZINC000603356568	553770921	/nfs/dbraw/zinc/77/09/21/553770921.db2.gz	AMCGQNFYNGPSNV-UHFFFAOYSA-N	1	0	350.488	1.881	20	30		FDEDRO
C[NH+]1CCC2(CCN(S(=O)(=O)Cc3ccc(F)cc3C#N)C2)CC1	ZINC000603378989	553775911	/nfs/dbraw/zinc/77/59/11/553775911.db2.gz	JUKCLQQVFVULMY-UHFFFAOYSA-N	1	0	351.447	1.945	20	30		FDEDRO
CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)c1ncncc1C#N	ZINC000603401354	553780178	/nfs/dbraw/zinc/78/01/78/553780178.db2.gz	HMINFFXPDVPIMN-UHFFFAOYSA-N	1	0	364.409	1.012	20	30		FDEDRO
N#Cc1ccc(CC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)cc1	ZINC000603408986	553781520	/nfs/dbraw/zinc/78/15/20/553781520.db2.gz	ILMGNKNUUBOBDY-IBGZPJMESA-N	1	0	356.470	1.014	20	30		FDEDRO
N#Cc1c2c(cnc1N[C@@H]1CCC[N@H+](CCN3CCOCC3)C1)CCC2	ZINC000603422802	553784838	/nfs/dbraw/zinc/78/48/38/553784838.db2.gz	JEEPANBPDGUWLV-QGZVFWFLSA-N	1	0	355.486	1.650	20	30		FDEDRO
C[NH+]1CCN(c2ccc(NC(=O)CNc3ccc(C#N)cc3)nc2)CC1	ZINC000604445239	553878247	/nfs/dbraw/zinc/87/82/47/553878247.db2.gz	DBYGJQKTUNBBLG-UHFFFAOYSA-N	1	0	350.426	1.756	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC2CC[NH+](CC)CC2)cc1	ZINC000605996271	554033961	/nfs/dbraw/zinc/03/39/61/554033961.db2.gz	QFHQBUVOUMWYGQ-UHFFFAOYSA-N	1	0	373.457	1.533	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N(C)C(C)=O)cc2)CC1	ZINC000608536699	554283702	/nfs/dbraw/zinc/28/37/02/554283702.db2.gz	IFESOKMHKSEHSF-UHFFFAOYSA-N	1	0	358.442	1.374	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CC[NH+]1CCC(N2CCC[C@@H]2C(N)=O)CC1	ZINC000609157109	554344421	/nfs/dbraw/zinc/34/44/21/554344421.db2.gz	UUBDURLTUQTZAY-GOSISDBHSA-N	1	0	369.469	1.301	20	30		FDEDRO
COc1cccc([C@H](CNC(=O)NC2CCN(CC#N)CC2)[NH+](C)C)c1	ZINC000609339607	554368926	/nfs/dbraw/zinc/36/89/26/554368926.db2.gz	KDUSPPGEBBQHTG-SFHVURJKSA-N	1	0	359.474	1.585	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c1	ZINC000609553324	554392453	/nfs/dbraw/zinc/39/24/53/554392453.db2.gz	OFNXOAMNLXMFDY-GOSISDBHSA-N	1	0	354.454	1.509	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CCO1	ZINC000609556783	554392993	/nfs/dbraw/zinc/39/29/93/554392993.db2.gz	DFEBTHMBYCNWPO-GOSISDBHSA-N	1	0	358.442	1.595	20	30		FDEDRO
C[C@H]([NH2+]C[C@H]1CCCN1c1cccnn1)C(=O)NC1(C#N)CCCCC1	ZINC000609574721	554396126	/nfs/dbraw/zinc/39/61/26/554396126.db2.gz	FBEBUFJKCQBGMA-JKSUJKDBSA-N	1	0	356.474	1.766	20	30		FDEDRO
C[C@@H]([NH2+]C[C@H]1CCCN1c1cccnn1)C(=O)NC1(C#N)CCCCC1	ZINC000609574720	554396143	/nfs/dbraw/zinc/39/61/43/554396143.db2.gz	FBEBUFJKCQBGMA-HZPDHXFCSA-N	1	0	356.474	1.766	20	30		FDEDRO
N#Cc1ccc(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)cn1	ZINC000609662301	554408652	/nfs/dbraw/zinc/40/86/52/554408652.db2.gz	LXKUERVOGQRRLC-UHFFFAOYSA-N	1	0	365.441	1.075	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NC(=O)NC2CCN(CC#N)CC2)[C@H](C)C1	ZINC000609686061	554411844	/nfs/dbraw/zinc/41/18/44/554411844.db2.gz	GZQNJAVOKAHRPT-AEFFLSMTSA-N	1	0	365.522	1.411	20	30		FDEDRO
Cc1oc(NC(=O)CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)c(C#N)c1C	ZINC000610002840	554447893	/nfs/dbraw/zinc/44/78/93/554447893.db2.gz	OMMMZFMCEQELEV-INIZCTEOSA-N	1	0	360.458	1.893	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]C2(CO)Cc3ccccc3C2)cc1	ZINC000610216405	554475044	/nfs/dbraw/zinc/47/50/44/554475044.db2.gz	JCKWPHUDQWKOFP-IBGZPJMESA-N	1	0	352.434	1.612	20	30		FDEDRO
C[C@@H](NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1cccc(C#N)c1	ZINC000610403600	554500703	/nfs/dbraw/zinc/50/07/03/554500703.db2.gz	SDNRIBYDIBZNGZ-APWZRJJASA-N	1	0	371.485	1.325	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1	ZINC000610586210	554535304	/nfs/dbraw/zinc/53/53/04/554535304.db2.gz	LHMPVSKCCZGVKF-UHFFFAOYSA-N	1	0	353.357	1.380	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)c1ccc(C#N)cc1	ZINC000610869541	554572817	/nfs/dbraw/zinc/57/28/17/554572817.db2.gz	WPOIMGCDXBOJJK-CYBMUJFWSA-N	1	0	360.377	1.955	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)c(F)c1	ZINC000610916002	554580399	/nfs/dbraw/zinc/58/03/99/554580399.db2.gz	LXFCIMJBXVMJIT-OAHLLOKOSA-N	1	0	374.416	1.349	20	30		FDEDRO
CC[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c1ccccc1OCC(=O)NC	ZINC000611379675	554629934	/nfs/dbraw/zinc/62/99/34/554629934.db2.gz	AIUASMBFIMSOAU-OXQOHEQNSA-N	1	0	374.485	1.907	20	30		FDEDRO
C[C@@H]1COCCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000611431151	554632942	/nfs/dbraw/zinc/63/29/42/554632942.db2.gz	VQCXVKSENQQDGE-APWZRJJASA-N	1	0	374.460	1.645	20	30		FDEDRO
CC(C)(CO)[NH+]1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC1	ZINC000611516203	554640524	/nfs/dbraw/zinc/64/05/24/554640524.db2.gz	ZNOBMRMRGQBNDU-UHFFFAOYSA-N	1	0	372.469	1.582	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1	ZINC000611874521	554694252	/nfs/dbraw/zinc/69/42/52/554694252.db2.gz	KLFZZPUFRWLKRN-BBWFWOEESA-N	1	0	351.491	1.320	20	30		FDEDRO
COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]C2CCN(CC#N)CC2)c1	ZINC000611967427	554710453	/nfs/dbraw/zinc/71/04/53/554710453.db2.gz	OOGSFRCYABYQMP-CQSZACIVSA-N	1	0	358.442	1.768	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1	ZINC000612222153	554751330	/nfs/dbraw/zinc/75/13/30/554751330.db2.gz	ZVUCJPCMTUJDCJ-UHFFFAOYSA-N	1	0	374.485	1.071	20	30		FDEDRO
N#Cc1ncn(CC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1	ZINC000612358328	554766867	/nfs/dbraw/zinc/76/68/67/554766867.db2.gz	RNNZDUMXWVOLDL-OKZBNKHCSA-N	1	0	364.453	1.567	20	30		FDEDRO
COc1ccc(S(=O)(=O)N2CCC([NH2+]CC(C)(C)C#N)CC2)cc1	ZINC000612585107	554810131	/nfs/dbraw/zinc/81/01/31/554810131.db2.gz	OBIXAKRFZQKZJY-UHFFFAOYSA-N	1	0	351.472	1.988	20	30		FDEDRO
N#Cc1cccnc1-n1cc(NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cn1	ZINC000613152449	554892924	/nfs/dbraw/zinc/89/29/24/554892924.db2.gz	WPKNQTASMUBHKZ-HNNXBMFYSA-N	1	0	351.414	1.745	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1	ZINC000613482093	554930721	/nfs/dbraw/zinc/93/07/21/554930721.db2.gz	NWMORTVRISWEBV-SFHVURJKSA-N	1	0	364.534	1.333	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NCC34CCC[NH+]3CCC4)cc2C1=O	ZINC000614229325	555027253	/nfs/dbraw/zinc/02/72/53/555027253.db2.gz	GJQGIULREZPDFN-UHFFFAOYSA-N	1	0	353.422	1.827	20	30		FDEDRO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[N@H+](CCO)C(C)(C)C1	ZINC000614920771	555137366	/nfs/dbraw/zinc/13/73/66/555137366.db2.gz	QCEVANWXMXSETO-CYBMUJFWSA-N	1	0	364.877	1.927	20	30		FDEDRO
N#C[C@]1(F)CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1	ZINC000615639131	555223764	/nfs/dbraw/zinc/22/37/64/555223764.db2.gz	RYJMZTDIAGKIBS-QGZVFWFLSA-N	1	0	352.454	1.075	20	30		FDEDRO
CN1CCC(CNC(=O)c2cc(O)cc(C#N)c2)([NH+]2CCCCC2)CC1	ZINC000616032770	555265249	/nfs/dbraw/zinc/26/52/49/555265249.db2.gz	ZZGXIHMKTUSTNP-UHFFFAOYSA-N	1	0	356.470	1.944	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)c1	ZINC000617020948	555375315	/nfs/dbraw/zinc/37/53/15/555375315.db2.gz	NHXGDEGSMJLLSE-OAHLLOKOSA-N	1	0	365.499	1.754	20	30		FDEDRO
N#C[C@]1(F)CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1	ZINC000617530418	555462496	/nfs/dbraw/zinc/46/24/96/555462496.db2.gz	OKKDYTLMPKNJPB-PKOBYXMFSA-N	1	0	360.433	1.925	20	30		FDEDRO
C=CCN(C(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1)[C@@H](C)COC	ZINC000617578106	555469478	/nfs/dbraw/zinc/46/94/78/555469478.db2.gz	CJXSEQGEFYIOPB-GVDBMIGSSA-N	1	0	351.491	1.369	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCC[N@H+](C)C2)cc1	ZINC000617928481	555541210	/nfs/dbraw/zinc/54/12/10/555541210.db2.gz	GXWSCYCPEQOMNP-HNNXBMFYSA-N	1	0	366.487	1.709	20	30		FDEDRO
C=CCOc1ccc(C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)cc1OC	ZINC000618303455	555607757	/nfs/dbraw/zinc/60/77/57/555607757.db2.gz	FZKOREDCLIDQEA-UHFFFAOYSA-N	1	0	363.458	1.352	20	30		FDEDRO
C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H]2CCc3cc(C#N)ccc32)cn1	ZINC000618880585	555690508	/nfs/dbraw/zinc/69/05/08/555690508.db2.gz	MIPJOAYPVMANNG-KRWDZBQOSA-N	1	0	366.425	1.059	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)c1cccc(CC#N)c1	ZINC000619482615	555784696	/nfs/dbraw/zinc/78/46/96/555784696.db2.gz	ZVGSHTJFKMLISV-UHFFFAOYSA-N	1	0	358.467	1.900	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2cccc(CC#N)c2)C[C@@H]1[NH+]1CCCC1	ZINC000619497596	555789694	/nfs/dbraw/zinc/78/96/94/555789694.db2.gz	PMJALDQNADEFGN-IRXDYDNUSA-N	1	0	365.524	1.953	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1	ZINC000619723934	555826783	/nfs/dbraw/zinc/82/67/83/555826783.db2.gz	YRJUSOJXCVOTDQ-PMACEKPBSA-N	1	0	373.497	1.537	20	30		FDEDRO
CS(=O)(=O)NC1CC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000619846171	555843410	/nfs/dbraw/zinc/84/34/10/555843410.db2.gz	UMWAIKCSJHLZMI-UHFFFAOYSA-N	1	0	362.499	1.192	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)C2CC[NH+](C)CC2)c1	ZINC000624269557	556562358	/nfs/dbraw/zinc/56/23/58/556562358.db2.gz	JUOQREZMWBSXAD-CQSZACIVSA-N	1	0	365.499	1.611	20	30		FDEDRO
O=C1CCCN1C[C@@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000625558131	556852984	/nfs/dbraw/zinc/85/29/84/556852984.db2.gz	MAKIWDZXVYKCKH-MRXNPFEDSA-N	1	0	365.433	1.230	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1	ZINC000625795603	556928420	/nfs/dbraw/zinc/92/84/20/556928420.db2.gz	XEMLTZMYIDADCX-INIZCTEOSA-N	1	0	353.260	1.561	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2	ZINC000626822728	557180027	/nfs/dbraw/zinc/18/00/27/557180027.db2.gz	VRTYDUHTOKKRFS-PBHICJAKSA-N	1	0	359.426	1.205	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cncc(OCCC)c2)CC1	ZINC000627315178	557347998	/nfs/dbraw/zinc/34/79/98/557347998.db2.gz	YJTDJZSKHWQWSI-UHFFFAOYSA-N	1	0	360.458	1.966	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)n1cc(CNC(=O)CN2CC[NH2+]CC2)nn1	ZINC000630591833	557921171	/nfs/dbraw/zinc/92/11/71/557921171.db2.gz	HHDQGANPSUHLJY-LJQANCHMSA-N	1	0	368.485	1.159	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)c1nc(-c2cnccn2)no1)C(C)C	ZINC000631323614	557998069	/nfs/dbraw/zinc/99/80/69/557998069.db2.gz	FSSIJFAPNXBRAW-OAHLLOKOSA-N	1	0	356.430	1.955	20	30		FDEDRO
O=C(NCC#Cc1cccc(F)c1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000521411675	567928830	/nfs/dbraw/zinc/92/88/30/567928830.db2.gz	XBZQTHSFRJLXNC-KRWDZBQOSA-N	1	0	372.444	1.031	20	30		FDEDRO
C[NH+](C)C[C@@H](O)COc1ccc(NS(=O)(=O)CC2(C#N)CC2)cc1	ZINC000463414987	567973806	/nfs/dbraw/zinc/97/38/06/567973806.db2.gz	HEHUNSOTBAHAPG-CQSZACIVSA-N	1	0	353.444	1.033	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(CC)([NH+](C)C)CC1	ZINC000636936306	568213098	/nfs/dbraw/zinc/21/30/98/568213098.db2.gz	MELKBNJCTAYZDB-HZPDHXFCSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000637017674	568305452	/nfs/dbraw/zinc/30/54/52/568305452.db2.gz	FTSZIORAKCBDQJ-MRXNPFEDSA-N	1	0	351.491	1.465	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)C=Cc2ccccc2-c2nn[nH]n2)CC1	ZINC000735374909	598930187	/nfs/dbraw/zinc/93/01/87/598930187.db2.gz	FLRPGDVCFIBWEJ-HJWRWDBZSA-N	1	0	350.426	1.484	20	30		FDEDRO
CC[NH+](CC)CCN(CCOC)C(=O)Nc1cc(C)n(CCC#N)n1	ZINC000272042393	674408350	/nfs/dbraw/zinc/40/83/50/674408350.db2.gz	FZNNHNVBIZLLKH-UHFFFAOYSA-N	1	0	350.467	1.927	20	30		FDEDRO
C=CC[N@@H+](CCCS(=O)(=O)N(C)C)Cc1cccc(-c2nn[nH]n2)c1	ZINC000735418692	598715973	/nfs/dbraw/zinc/71/59/73/598715973.db2.gz	GZOPCBWUTSYMNM-UHFFFAOYSA-N	1	0	364.475	1.136	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1cccc(-c2nn[nH]n2)c1	ZINC000824554727	608491849	/nfs/dbraw/zinc/49/18/49/608491849.db2.gz	RJJBONLREWQPFS-ZDUSSCGKSA-N	1	0	352.402	1.173	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c1	ZINC000826386908	608531822	/nfs/dbraw/zinc/53/18/22/608531822.db2.gz	YAYNGSSOVLXUIW-UHFFFAOYSA-N	1	0	373.420	1.633	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1	ZINC000274990518	674600082	/nfs/dbraw/zinc/60/00/82/674600082.db2.gz	UYPAHBXCABJLBV-SFHVURJKSA-N	1	0	361.467	1.191	20	30		FDEDRO
Cn1c(CNC(=[NH2+])NCCCN2CCOCC2)nc2cc(Cl)ccc21	ZINC000275085664	674605451	/nfs/dbraw/zinc/60/54/51/674605451.db2.gz	PCYIPHLEQVRODC-UHFFFAOYSA-N	1	0	364.881	1.353	20	30		FDEDRO
[NH2+]=C(NC[C@H](CO)Cc1ccccc1Br)N1CCOCC1	ZINC000277473975	674950992	/nfs/dbraw/zinc/95/09/92/674950992.db2.gz	SYHRODQTELZUKN-GFCCVEGCSA-N	1	0	356.264	1.247	20	30		FDEDRO
C=C(Br)CNC(=[NH+]C)N1CCN(C(=O)c2ccco2)CC1	ZINC000073177576	671399993	/nfs/dbraw/zinc/39/99/93/671399993.db2.gz	ZMZZBHZJUCFKNC-UHFFFAOYSA-N	1	0	355.236	1.521	20	30		FDEDRO
CCc1nc(CNC(N[C@@H]2CCCN(c3ncccn3)C2)=[NH+]C)cs1	ZINC000086014405	671482545	/nfs/dbraw/zinc/48/25/45/671482545.db2.gz	QYGIRCCRCYUTAV-CYBMUJFWSA-N	1	0	359.503	1.830	20	30		FDEDRO
C[NH+]=C(NCCc1sc(C)nc1C)N1CC[C@H](CN2CCOCC2)C1	ZINC000086913985	671484308	/nfs/dbraw/zinc/48/43/08/671484308.db2.gz	LLWSTVZVCZTEEZ-MRXNPFEDSA-N	1	0	365.547	1.532	20	30		FDEDRO
C[NH+]=C(NCc1sc(C)nc1C)N1CC[C@H](CN2CCOCC2)C1	ZINC000089072095	671491710	/nfs/dbraw/zinc/49/17/10/671491710.db2.gz	UHJUKHAANVUFGK-OAHLLOKOSA-N	1	0	351.520	1.489	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC2=CC[N@H+](C)CC2)cc1	ZINC000287335609	675914623	/nfs/dbraw/zinc/91/46/23/675914623.db2.gz	PAGLLOJXSLDWIH-ZDUSSCGKSA-N	1	0	362.455	1.756	20	30		FDEDRO
COc1ccc([C@H](CNC(=[NH2+])NC(C)C)N2CCOCC2)cc1OC	ZINC000104154815	671594337	/nfs/dbraw/zinc/59/43/37/671594337.db2.gz	PAEFJSCKIWLNLS-HNNXBMFYSA-N	1	0	350.463	1.390	20	30		FDEDRO
COc1cccc(NC(=[NH2+])NCc2ccc(S(=O)(=O)N(C)C)cc2)c1	ZINC000104175473	671594728	/nfs/dbraw/zinc/59/47/28/671594728.db2.gz	SRGDBOZAWFMHHU-UHFFFAOYSA-N	1	0	362.455	1.872	20	30		FDEDRO
C#CCN1CC[NH+](Cn2ccc(=O)c3cccc(Br)c32)CC1	ZINC000105604335	671602886	/nfs/dbraw/zinc/60/28/86/671602886.db2.gz	KOURHNYNXQMNDB-UHFFFAOYSA-N	1	0	360.255	1.972	20	30		FDEDRO
C=C(Br)CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1	ZINC000121528028	671706662	/nfs/dbraw/zinc/70/66/62/671706662.db2.gz	JZAAWURILSQYBC-UHFFFAOYSA-N	1	0	353.264	1.619	20	30		FDEDRO
CO[C@H](CNC(=[NH2+])NCCCN1CCOCC1)c1ccccc1Cl	ZINC000123622569	671728116	/nfs/dbraw/zinc/72/81/16/671728116.db2.gz	FPHVREBHLGGTIN-MRXNPFEDSA-N	1	0	354.882	1.654	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](C)c2c(C)noc2C)CC1	ZINC000130726243	671797219	/nfs/dbraw/zinc/79/72/19/671797219.db2.gz	IHPPUZOKCOKRGU-NSHDSACASA-N	1	0	351.451	1.920	20	30		FDEDRO
CC[NH+]=C(NCCc1sc(C)nc1C)N[C@@H]1CCc2nc(C)nn2C1	ZINC000131626342	671805424	/nfs/dbraw/zinc/80/54/24/671805424.db2.gz	GNHBZJGLEPYVMM-CQSZACIVSA-N	1	0	361.519	1.772	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NC[C@@H]2CCN(S(C)(=O)=O)C2)cc1Cl	ZINC000133853508	671823866	/nfs/dbraw/zinc/82/38/66/671823866.db2.gz	VRIZKPBLGNXQGB-JTQLQIEISA-N	1	0	360.867	1.357	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NCCNC(=[NH2+])NCCc2ccccc2)s1	ZINC000151423501	671864602	/nfs/dbraw/zinc/86/46/02/671864602.db2.gz	PLVDBIRMDMDXRU-UHFFFAOYSA-N	1	0	366.512	1.482	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)ccc1F	ZINC000153217970	671897955	/nfs/dbraw/zinc/89/79/55/671897955.db2.gz	VVGLWAXUUABPET-VXGBXAGGSA-N	1	0	355.435	1.112	20	30		FDEDRO
C[NH+]=C(NCC(=O)NC(C)C)N[C@@H]1CCN(c2c(F)cccc2F)C1	ZINC000154768361	671927784	/nfs/dbraw/zinc/92/77/84/671927784.db2.gz	BMKWEDQSQMQCSM-GFCCVEGCSA-N	1	0	353.417	1.233	20	30		FDEDRO
C[NH+]=C(NCC(=O)NC(C)C)N1CCN(c2cc(F)ccc2F)CC1	ZINC000156175744	671951742	/nfs/dbraw/zinc/95/17/42/671951742.db2.gz	LTONMXJPUGNUON-UHFFFAOYSA-N	1	0	353.417	1.187	20	30		FDEDRO
C[NH+]=C(NCCNS(=O)(=O)c1ccc(Cl)s1)NC(C)(C)C	ZINC000156948249	671962281	/nfs/dbraw/zinc/96/22/81/671962281.db2.gz	TUIWZRFTEWGPPV-UHFFFAOYSA-N	1	0	352.913	1.643	20	30		FDEDRO
C[NH+]=C(NCCc1nc(C)no1)N[C@H]1CCN(c2ncccc2Cl)C1	ZINC000158955443	671985727	/nfs/dbraw/zinc/98/57/27/671985727.db2.gz	LEYNMLBENQVEPI-LBPRGKRZSA-N	1	0	363.853	1.413	20	30		FDEDRO
[NH2+]=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)NC[C@@H]1CCCO1	ZINC000161477331	672009345	/nfs/dbraw/zinc/00/93/45/672009345.db2.gz	LTXOKAUSAIHJLR-IRXDYDNUSA-N	1	0	350.438	1.282	20	30		FDEDRO
CCN(CC)C(=[NH2+])NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000170908865	672047892	/nfs/dbraw/zinc/04/78/92/672047892.db2.gz	MDAROGPQCUNXNS-UHFFFAOYSA-N	1	0	357.436	1.067	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000171907813	672061301	/nfs/dbraw/zinc/06/13/01/672061301.db2.gz	INKNIQVANIIKPT-HNNXBMFYSA-N	1	0	352.479	1.945	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1	ZINC000173044338	672075983	/nfs/dbraw/zinc/07/59/83/672075983.db2.gz	OZPLLVFNSOCSNK-CQSZACIVSA-N	1	0	365.499	1.304	20	30		FDEDRO
C=C(Br)CNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1	ZINC000181590028	672199199	/nfs/dbraw/zinc/19/91/99/672199199.db2.gz	LQTLRSHBXGOYDH-OAHLLOKOSA-N	1	0	368.275	1.961	20	30		FDEDRO
CCCC[NH+]=C(NCc1ccc(C)cc1)NCC1CN(S(C)(=O)=O)C1	ZINC000186023221	672266214	/nfs/dbraw/zinc/26/62/14/672266214.db2.gz	XJGIHRXDBUYRJY-UHFFFAOYSA-N	1	0	366.531	1.722	20	30		FDEDRO
CCOC(=O)N1CCC([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)CC1	ZINC000186427249	672272343	/nfs/dbraw/zinc/27/23/43/672272343.db2.gz	JPWNPSYERKYCSJ-KBXCAEBGSA-N	1	0	352.479	1.887	20	30		FDEDRO
C[NH+]=C(NCc1ccc(F)cc1)NCC1CCN(S(C)(=O)=O)CC1	ZINC000261602246	672633322	/nfs/dbraw/zinc/63/33/22/672633322.db2.gz	CCYMMHUFPATLLQ-UHFFFAOYSA-N	1	0	356.467	1.162	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NCC2CCN(S(C)(=O)=O)CC2)cc1Cl	ZINC000261635495	672640383	/nfs/dbraw/zinc/64/03/83/672640383.db2.gz	KCWDIGHFZGAELW-UHFFFAOYSA-N	1	0	374.894	1.747	20	30		FDEDRO
C[NH+]=C(NC[C@]1(CCO)CCOC1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2	ZINC000261663569	672645898	/nfs/dbraw/zinc/64/58/98/672645898.db2.gz	BCRVVOHWYWQOQD-LHHMISFZSA-N	1	0	351.491	1.288	20	30		FDEDRO
C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N1CC[C@H](CC(C)C)C1	ZINC000261675164	672648653	/nfs/dbraw/zinc/64/86/53/672648653.db2.gz	PSWVBMGBYYNOGQ-MRXNPFEDSA-N	1	0	358.552	1.601	20	30		FDEDRO
C[NH+]=C(N[C@@H]1C[C@](C)(OC)C1(C)C)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000261686220	672650857	/nfs/dbraw/zinc/65/08/57/672650857.db2.gz	IBGLQXIBIAPSGM-FCEWJHQRSA-N	1	0	352.523	1.420	20	30		FDEDRO
C[NH+]=C(NCc1nnc(C)n1C)N(C)Cc1cc(Br)cn1C	ZINC000261732974	672660580	/nfs/dbraw/zinc/66/05/80/672660580.db2.gz	JRXOWTWKLASIKJ-UHFFFAOYSA-N	1	0	368.283	1.432	20	30		FDEDRO
CC[NH+]=C(NCCc1nccs1)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000261743365	672663111	/nfs/dbraw/zinc/66/31/11/672663111.db2.gz	BOISPJVZDHNDSS-UHFFFAOYSA-N	1	0	351.520	1.982	20	30		FDEDRO
CC[NH+]=C(NC[C@H](C)SC)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1	ZINC000261770731	672669133	/nfs/dbraw/zinc/66/91/33/672669133.db2.gz	OCBNAFZLZMSWPV-MEDUHNTESA-N	1	0	355.508	1.014	20	30		FDEDRO
C=CCNC(=[NH+]C)N1CCN(c2ncc(Br)c(OC)n2)CC1	ZINC000261781377	672671218	/nfs/dbraw/zinc/67/12/18/672671218.db2.gz	QCRABIUTMMRNIC-UHFFFAOYSA-N	1	0	369.267	1.131	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1COCCO1)N[C@@H]1CCN(c2cccc(Cl)c2)C1	ZINC000261839330	672681087	/nfs/dbraw/zinc/68/10/87/672681087.db2.gz	WCBZKPJVYIHLEP-NVXWUHKLSA-N	1	0	366.893	1.889	20	30		FDEDRO
CCc1ccc(CNC(=[NH+]C)N2CCN(c3cnn(C)c3)C(=O)C2)s1	ZINC000261842522	672681469	/nfs/dbraw/zinc/68/14/69/672681469.db2.gz	WMDIBYURHUPLNN-UHFFFAOYSA-N	1	0	360.487	1.468	20	30		FDEDRO
C=CCNC(=[NH2+])NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1	ZINC000261892386	672689921	/nfs/dbraw/zinc/68/99/21/672689921.db2.gz	UBHKVOQSTXBFKR-CQSZACIVSA-N	1	0	350.488	1.698	20	30		FDEDRO
C[NH+]=C(NCC(=O)Nc1ccc(I)cc1)NC1CC1	ZINC000261911980	672692719	/nfs/dbraw/zinc/69/27/19/672692719.db2.gz	YIAPJLNEEYISKP-UHFFFAOYSA-N	1	0	372.210	1.557	20	30		FDEDRO
C[NH+]=C(NC[C@@H](c1ccccc1)N(C)C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261931699	672696410	/nfs/dbraw/zinc/69/64/10/672696410.db2.gz	BNSDMILULLUNNS-INIZCTEOSA-N	1	0	366.531	1.374	20	30		FDEDRO
CC[NH+]=C(NCCOc1ccc(F)cc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261947057	672699163	/nfs/dbraw/zinc/69/91/63/672699163.db2.gz	GGDIYZZTEICKQL-UHFFFAOYSA-N	1	0	371.478	1.679	20	30		FDEDRO
C[NH+]=C(NCCN1CCSCC1)N1CC[C@H](C)[C@@H](n2ccnc2)C1	ZINC000261957293	672702071	/nfs/dbraw/zinc/70/20/71/672702071.db2.gz	JDYJRUYELQVFDG-HOTGVXAUSA-N	1	0	350.536	1.390	20	30		FDEDRO
C[NH+]=C(NCCN1CCOC[C@@H]1C)N1CCN(c2cccs2)CC1	ZINC000261978214	672705842	/nfs/dbraw/zinc/70/58/42/672705842.db2.gz	OEVAKPNGXBKBEI-HNNXBMFYSA-N	1	0	351.520	1.166	20	30		FDEDRO
C[NH+]=C(NCc1ccc(Cl)s1)N1CCN(CCC(=O)N(C)C)CC1	ZINC000261985118	672707006	/nfs/dbraw/zinc/70/70/06/672707006.db2.gz	PVOOCYJGWYBGRR-UHFFFAOYSA-N	1	0	371.938	1.573	20	30		FDEDRO
CC[NH+]=C(NCCOC1CCCCC1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000262009049	672711000	/nfs/dbraw/zinc/71/10/00/672711000.db2.gz	WDUBIAKUYNAXSZ-UHFFFAOYSA-N	1	0	359.536	1.810	20	30		FDEDRO
CC[NH+]=C(NCC[S@](=O)C(C)(C)C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000262008393	672711078	/nfs/dbraw/zinc/71/10/78/672711078.db2.gz	WBIUYHNPKHCHJV-QFIPXVFZSA-N	1	0	365.565	1.008	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1C(F)(F)F	ZINC000262020984	672713247	/nfs/dbraw/zinc/71/32/47/672713247.db2.gz	IQUCHKIJCQGZAC-BHYNMZESSA-N	1	0	359.373	1.935	20	30		FDEDRO
CN(C)C(=O)CNC(=[NH+]C1CCCC1)N1CCC[C@]2(CCCOC2)C1	ZINC000262294182	672763491	/nfs/dbraw/zinc/76/34/91/672763491.db2.gz	MAERDPYBKGQOAZ-IBGZPJMESA-N	1	0	350.507	1.855	20	30		FDEDRO
C[C@@H](NC(=[NH2+])NCCS(=O)(=O)N(C)C)c1ccc(Cl)cc1Cl	ZINC000262306683	672766278	/nfs/dbraw/zinc/76/62/78/672766278.db2.gz	OVHHTCRTLKAMKZ-SECBINFHSA-N	1	0	367.302	1.850	20	30		FDEDRO
C[C@@H]1CCCN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C[C@H]2CCCCO2)C1	ZINC000262327472	672770702	/nfs/dbraw/zinc/77/07/02/672770702.db2.gz	AGGQBBBRBUTEMC-IXDOHACOSA-N	1	0	371.547	1.668	20	30		FDEDRO
CS[C@@H]1CCC[C@H](NC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)C1	ZINC000262337838	672772722	/nfs/dbraw/zinc/77/27/22/672772722.db2.gz	CDAJVRDQMMIWAK-AEGPPILISA-N	1	0	359.561	1.793	20	30		FDEDRO
CN(C)C(=O)CNC(NCc1cccs1)=[NH+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	ZINC000262338135	672772898	/nfs/dbraw/zinc/77/28/98/672772898.db2.gz	WOSAHAALWZYKPS-IMJJTQAJSA-N	1	0	364.515	1.685	20	30		FDEDRO
C#C[C@@H](NC(=[NH2+])N1CCN(c2ncccn2)CC1)c1ccc(Cl)cc1	ZINC000262347122	672774496	/nfs/dbraw/zinc/77/44/96/672774496.db2.gz	DYFUPOQAMKAZGF-MRXNPFEDSA-N	1	0	354.845	1.941	20	30		FDEDRO
O=S1(=O)CC[C@@H](CNC(=[NH+]C2CC2)N2CCc3cc(F)ccc3C2)C1	ZINC000262369044	672777756	/nfs/dbraw/zinc/77/77/56/672777756.db2.gz	IGFCDASUAQAQFY-ZDUSSCGKSA-N	1	0	365.474	1.727	20	30		FDEDRO
CCn1c(CNC(=[NH2+])N2CCOCC2)nc2cc(Br)ccc21	ZINC000262375107	672778839	/nfs/dbraw/zinc/77/88/39/672778839.db2.gz	MWMKULINUWKTIU-UHFFFAOYSA-N	1	0	366.263	1.966	20	30		FDEDRO
CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCC[C@]2(CCCOC2)C1	ZINC000262381166	672779922	/nfs/dbraw/zinc/77/99/22/672779922.db2.gz	KLICJTSYQHZKJB-WMZOPIPTSA-N	1	0	371.547	1.669	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(NC[C@H]2CCCCO2)=[NH+]C2CCCC2)C1	ZINC000262415628	672785835	/nfs/dbraw/zinc/78/58/35/672785835.db2.gz	QCXJREIZAVSISJ-GDBMZVCRSA-N	1	0	357.520	1.468	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N(C)Cc1ccc(Cl)c(F)c1	ZINC000262414599	672785839	/nfs/dbraw/zinc/78/58/39/672785839.db2.gz	PZVIJVWXFJCPIA-LBPRGKRZSA-N	1	0	361.870	1.921	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)N1CCSCC1)N[C@@H](C)c1ccccc1	ZINC000262422781	672786985	/nfs/dbraw/zinc/78/69/85/672786985.db2.gz	RDVCTBHDZNRHMC-AWEZNQCLSA-N	1	0	370.544	1.291	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)C(C)(C)C)N[C@@H]1CCc2ccccc2C1	ZINC000262455586	672792673	/nfs/dbraw/zinc/79/26/73/672792673.db2.gz	WSSSQGLZYCXHOQ-MRXNPFEDSA-N	1	0	351.516	1.922	20	30		FDEDRO
CCc1nc(CN2CCC(CNC(=[NH2+])N3CCO[C@@H](C)C3)CC2)cs1	ZINC000262487106	672797452	/nfs/dbraw/zinc/79/74/52/672797452.db2.gz	STZMSHBIONBSRO-AWEZNQCLSA-N	1	0	365.547	1.953	20	30		FDEDRO
[NH2+]=C(NCCN1CCSCC1)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000262511712	672801276	/nfs/dbraw/zinc/80/12/76/672801276.db2.gz	DFTIXLJPKAVNIJ-UHFFFAOYSA-N	1	0	367.950	1.826	20	30		FDEDRO
C[NH+]=C(NCc1ccc(F)cc1C(F)(F)F)NC[C@@H]1CN(C)CCO1	ZINC000262744039	672840084	/nfs/dbraw/zinc/84/00/84/672840084.db2.gz	JINDHAMBZSRVLD-CYBMUJFWSA-N	1	0	362.371	1.840	20	30		FDEDRO
C[NH+]=C(NCc1ccc2c(c1)OCO2)NC[C@@]1(N(C)C)CCSC1	ZINC000262755557	672842674	/nfs/dbraw/zinc/84/26/74/672842674.db2.gz	DEUQECLLIOGCOL-KRWDZBQOSA-N	1	0	350.488	1.518	20	30		FDEDRO
C[NH+]=C(NCC1(SC)CCOCC1)NC1CCN(C(=O)C2CC2)CC1	ZINC000262799436	672850575	/nfs/dbraw/zinc/85/05/75/672850575.db2.gz	QNXQOVPFZAZBRD-UHFFFAOYSA-N	1	0	368.547	1.465	20	30		FDEDRO
C[NH+]=C(NCC1(SC)CCOCC1)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1	ZINC000262815215	672851183	/nfs/dbraw/zinc/85/11/83/672851183.db2.gz	VNAFUGIQXUQFED-HUUCEWRRSA-N	1	0	370.563	1.711	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2C[NH+](C)C)cc1	ZINC000263941203	672894557	/nfs/dbraw/zinc/89/45/57/672894557.db2.gz	ZOCNLXJPPPQRLB-HNNXBMFYSA-N	1	0	351.472	1.317	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCCCOC[C@H]2CCCO2)cc1OC	ZINC000264081703	672900710	/nfs/dbraw/zinc/90/07/10/672900710.db2.gz	ISJQKRZQUQGIGJ-OAHLLOKOSA-N	1	0	351.447	1.694	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NC[C@H](c1ccccc1Cl)N1CCOCC1	ZINC000264091616	672901089	/nfs/dbraw/zinc/90/10/89/672901089.db2.gz	LCCANWRGPJWQNR-XJKSGUPXSA-N	1	0	354.882	1.653	20	30		FDEDRO
[NH2+]=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)N1CCOCC1	ZINC000264125094	672901777	/nfs/dbraw/zinc/90/17/77/672901777.db2.gz	WBOLMPLIHXTQAK-MRXNPFEDSA-N	1	0	352.866	1.360	20	30		FDEDRO
CCOC(=O)N1CCC(N/C(N)=[NH+]/Cc2cn3ccsc3n2)CC1	ZINC000264118493	672901979	/nfs/dbraw/zinc/90/19/79/672901979.db2.gz	QONATXGOHWXUFO-UHFFFAOYSA-N	1	0	350.448	1.421	20	30		FDEDRO
[NH2+]=C(NCCN1CCCS1(=O)=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000264129253	672902268	/nfs/dbraw/zinc/90/22/68/672902268.db2.gz	XLJMKTMAPWUQHQ-UHFFFAOYSA-N	1	0	366.365	1.347	20	30		FDEDRO
CCS(=O)(=O)NCCNC(=[NH2+])N[C@H](C)c1ccc(Cl)cc1Cl	ZINC000264135374	672902965	/nfs/dbraw/zinc/90/29/65/672902965.db2.gz	ZLAKMQWDFYSIDS-SECBINFHSA-N	1	0	367.302	1.898	20	30		FDEDRO
Cc1noc(CCCNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)n1	ZINC000264248084	672905725	/nfs/dbraw/zinc/90/57/25/672905725.db2.gz	GKWUYDLNLPGXDD-UHFFFAOYSA-N	1	0	352.439	1.178	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C3N=NC(=S)N3CC)C2)CC1	ZINC000264404845	672912502	/nfs/dbraw/zinc/91/25/02/672912502.db2.gz	FJDSMXJSUBSOJC-HNNXBMFYSA-N	1	0	361.515	1.638	20	30		FDEDRO
C=C(Cl)CNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1	ZINC000265639838	672958304	/nfs/dbraw/zinc/95/83/04/672958304.db2.gz	IJFOWIYLDFVFHH-UHFFFAOYSA-N	1	0	350.850	1.636	20	30		FDEDRO
COC(=O)C[C@H]1CSCC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1	ZINC000266961868	673224080	/nfs/dbraw/zinc/22/40/80/673224080.db2.gz	WVJNPIFUSFQMIW-LSDHHAIUSA-N	1	0	350.440	1.278	20	30		FDEDRO
CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)N(C)C[C@@H](C)C#N	ZINC000282354655	675625167	/nfs/dbraw/zinc/62/51/67/675625167.db2.gz	AUWQSUSTEOTABT-HNNXBMFYSA-N	1	0	352.504	1.954	20	30		FDEDRO
Cc1cccc(CN(CC[NH+](C)C)S(=O)(=O)N(C)[C@@H](C)CC#N)c1	ZINC000282420837	675628556	/nfs/dbraw/zinc/62/85/56/675628556.db2.gz	BNEMAGRTLMQEQE-INIZCTEOSA-N	1	0	352.504	1.837	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000282578992	675636649	/nfs/dbraw/zinc/63/66/49/675636649.db2.gz	GWBFBIRSYWAICM-IRXDYDNUSA-N	1	0	364.515	1.919	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F	ZINC000282769916	675639910	/nfs/dbraw/zinc/63/99/10/675639910.db2.gz	HROLGJCRYFAUMY-ZDUSSCGKSA-N	1	0	374.457	1.665	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCSC1)C(C)C	ZINC000284158410	675673132	/nfs/dbraw/zinc/67/31/32/675673132.db2.gz	SVLHPJOERRZFCX-HOTGVXAUSA-N	1	0	353.532	1.671	20	30		FDEDRO
COc1ncc([C@@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1Cl	ZINC000284470324	675717030	/nfs/dbraw/zinc/71/70/30/675717030.db2.gz	UJTMSHDUFHJREV-ZEIZSXSISA-N	1	0	350.806	1.921	20	30		FDEDRO
C=CCNC(=O)CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F	ZINC000285895178	675849783	/nfs/dbraw/zinc/84/97/83/675849783.db2.gz	UNKOEYUYMCYQBG-HNNXBMFYSA-N	1	0	351.397	1.562	20	30		FDEDRO
C=C[C@@H](CO)NC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000291192530	676248855	/nfs/dbraw/zinc/24/88/55/676248855.db2.gz	ICQQRIHDZQSFFD-ZFWWWQNUSA-N	1	0	350.438	1.485	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1	ZINC000294075675	676374876	/nfs/dbraw/zinc/37/48/76/676374876.db2.gz	WHXXMVZQKWFOME-UHFFFAOYSA-N	1	0	365.499	1.400	20	30		FDEDRO
C[NH+](C)CCCOc1cnccc1CNS(=O)(=O)CC(C)(C)CC#N	ZINC000295863255	676411932	/nfs/dbraw/zinc/41/19/32/676411932.db2.gz	FFAGFRLOJDAQOK-UHFFFAOYSA-N	1	0	368.503	1.771	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)Cc2ccc(F)cc2C#N)C1	ZINC000296101810	676414834	/nfs/dbraw/zinc/41/48/34/676414834.db2.gz	DNCIVZJXKLMZQR-SUMWQHHRSA-N	1	0	351.447	1.943	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCOC[C@@H]1C[C@@H](O)c1cccs1	ZINC000297501077	676426631	/nfs/dbraw/zinc/42/66/31/676426631.db2.gz	OGCCTHBDLPPURJ-JKSUJKDBSA-N	1	0	365.499	1.537	20	30		FDEDRO
C[N@@H+]1CCCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1	ZINC000298062907	676432695	/nfs/dbraw/zinc/43/26/95/676432695.db2.gz	BVBOWROITAWGMM-UHFFFAOYSA-N	1	0	353.388	1.811	20	30		FDEDRO
CC(C)(C)NC(=[NH2+])NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000303792386	676543148	/nfs/dbraw/zinc/54/31/48/676543148.db2.gz	YLXKSNMPWCXIRT-UHFFFAOYSA-N	1	0	357.436	1.113	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CN/C([O-])=[NH+]/Cc2cn3ccsc3n2)C1	ZINC000328657776	676601067	/nfs/dbraw/zinc/60/10/67/676601067.db2.gz	PTFXSVJEAWGIMF-AWEZNQCLSA-N	1	0	351.476	1.756	20	30		FDEDRO
Cn1ccnc1N1CCC(NC(=O)c2csc(-c3nc[nH]n3)n2)CC1	ZINC000328767787	676606114	/nfs/dbraw/zinc/60/61/14/676606114.db2.gz	QAEVQLSNDQIVGF-UHFFFAOYSA-N	1	0	358.431	1.635	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1	ZINC000328788902	676606913	/nfs/dbraw/zinc/60/69/13/676606913.db2.gz	XZVGKMAUVRVNQS-ARFHVFGLSA-N	1	0	351.491	1.683	20	30		FDEDRO
CC[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)CC[N@@H+]1C[C@H](C)O	ZINC000328787854	676606972	/nfs/dbraw/zinc/60/69/72/676606972.db2.gz	XHYSGVWYIGIOFD-RRFJBIMHSA-N	1	0	352.479	1.719	20	30		FDEDRO
Cn1nnnc1SCCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000328969322	676614151	/nfs/dbraw/zinc/61/41/51/676614151.db2.gz	ULPVRMCVFKVXDG-ZIAGYGMSSA-N	1	0	368.507	1.417	20	30		FDEDRO
C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)C1	ZINC000329115799	676620741	/nfs/dbraw/zinc/62/07/41/676620741.db2.gz	IIGFKCHGTHKIMK-KFWWJZLASA-N	1	0	351.495	1.713	20	30		FDEDRO
O=C(CSc1nnnn1CC(F)(F)F)N[C@@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000329144293	676622556	/nfs/dbraw/zinc/62/25/56/676622556.db2.gz	MVQBHJKYUIBROO-NXEZZACHSA-N	1	0	364.397	1.911	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccc4nsnc4c3)CC2)C1=O	ZINC000329192798	676624200	/nfs/dbraw/zinc/62/42/00/676624200.db2.gz	SFNONUDRWHVWMT-HNNXBMFYSA-N	1	0	359.455	1.691	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)CSCc3cccnc3)CC2)C1=O	ZINC000329193796	676624496	/nfs/dbraw/zinc/62/44/96/676624496.db2.gz	SPPNRCKXELJNND-MRXNPFEDSA-N	1	0	362.499	1.966	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)CC[N@@H+]1C	ZINC000329225724	676626699	/nfs/dbraw/zinc/62/66/99/676626699.db2.gz	GQLNEBKLHOZGCE-OAGGEKHMSA-N	1	0	351.495	1.653	20	30		FDEDRO
CC[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H](C)S1(=O)=O	ZINC000329240589	676627755	/nfs/dbraw/zinc/62/77/55/676627755.db2.gz	RANTYTUYXQGLKF-NIOBXDJOSA-N	1	0	357.520	1.813	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCCN(CC(F)(F)F)C3=O)[C@@H]2C1	ZINC000329288423	676631207	/nfs/dbraw/zinc/63/12/07/676631207.db2.gz	PSBJOTFBAUJHJE-JHJVBQTASA-N	1	0	362.396	1.480	20	30		FDEDRO
C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)C1	ZINC000329334819	676633665	/nfs/dbraw/zinc/63/36/65/676633665.db2.gz	KXKZMXZWCACTLZ-JKSUJKDBSA-N	1	0	351.495	1.607	20	30		FDEDRO
CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)C1CC[NH+](C2CC2)CC1	ZINC000329350937	676634671	/nfs/dbraw/zinc/63/46/71/676634671.db2.gz	DJTRQYIDUPAOIX-GOEBONIOSA-N	1	0	357.520	1.925	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)O1	ZINC000329364168	676635392	/nfs/dbraw/zinc/63/53/92/676635392.db2.gz	HVGUBGLVUSVMTM-PMPSAXMXSA-N	1	0	353.463	1.222	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)C1	ZINC000329499179	676641482	/nfs/dbraw/zinc/64/14/82/676641482.db2.gz	XZUWFKGMQRDRJZ-SJORKVTESA-N	1	0	350.507	1.967	20	30		FDEDRO
Cc1noc([C@H](C)NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)n1	ZINC000329564748	676644237	/nfs/dbraw/zinc/64/42/37/676644237.db2.gz	SIKLYRKIPWRCAZ-GLQYFDAESA-N	1	0	351.451	1.711	20	30		FDEDRO
Cc1nc(CCNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cs1	ZINC000329573982	676644667	/nfs/dbraw/zinc/64/46/67/676644667.db2.gz	JLVNOUCDIYNADB-CQSZACIVSA-N	1	0	352.504	1.999	20	30		FDEDRO
C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCCS3(=O)=O)nc2)CC1	ZINC000329694910	676649777	/nfs/dbraw/zinc/64/97/77/676649777.db2.gz	XFMVCVCGTCSEMH-CQSZACIVSA-N	1	0	352.460	1.389	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC[N@@H+]1C	ZINC000329730045	676652066	/nfs/dbraw/zinc/65/20/66/676652066.db2.gz	PJVAUYSMADQOKN-IUODEOHRSA-N	1	0	351.472	1.915	20	30		FDEDRO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)C1	ZINC000329816410	676658847	/nfs/dbraw/zinc/65/88/47/676658847.db2.gz	ODWJDPFVRIXLQN-QKPAOTATSA-N	1	0	357.520	1.671	20	30		FDEDRO
CS[C@@H]1CN(C(=O)CNC(=O)NC2CCCCC2)C[C@H]1[NH+]1CCCC1	ZINC000329837953	676660076	/nfs/dbraw/zinc/66/00/76/676660076.db2.gz	MFYRANNCQAWIGA-HZPDHXFCSA-N	1	0	368.547	1.861	20	30		FDEDRO
CCCNC(=O)CN1CCC(NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1	ZINC000329851027	676660668	/nfs/dbraw/zinc/66/06/68/676660668.db2.gz	QKSPKYHPAXJOHW-JLJPHGGASA-N	1	0	353.463	1.825	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNS(=O)(=O)CC2(C#N)CCCCC2)CC1	ZINC000329900561	676663163	/nfs/dbraw/zinc/66/31/63/676663163.db2.gz	NXGXWSIQFKXWLO-MRXNPFEDSA-N	1	0	356.536	1.406	20	30		FDEDRO
Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)NC2CC[NH+](C)CC2)o1	ZINC000329971133	676666380	/nfs/dbraw/zinc/66/63/80/676666380.db2.gz	YETQXPVECAYDFN-JSGCOSHPSA-N	1	0	354.430	1.235	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)N2CCn3c(nnc3C3CC3)C2)CCSC1	ZINC000330065911	676670770	/nfs/dbraw/zinc/67/07/70/676670770.db2.gz	DIOBVZMBJYWPQU-INIZCTEOSA-N	1	0	350.492	1.322	20	30		FDEDRO
C[N@H+](CC(=O)NCc1cccc(N2CCOCC2)n1)[C@@H]1CCSC1	ZINC000330152581	676675514	/nfs/dbraw/zinc/67/55/14/676675514.db2.gz	MDJFHZLQLBUYHK-OAHLLOKOSA-N	1	0	350.488	1.812	20	30		FDEDRO
CS(=O)(=O)N1CCC[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)C1	ZINC000330167352	676676388	/nfs/dbraw/zinc/67/63/88/676676388.db2.gz	YVUGAXYALAZDDW-HNNXBMFYSA-N	1	0	372.535	1.321	20	30		FDEDRO
Cc1nnsc1CNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1	ZINC000330259738	676681800	/nfs/dbraw/zinc/68/18/00/676681800.db2.gz	NQQQJRSMSYUVHA-AWEZNQCLSA-N	1	0	352.508	1.362	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)N2CCC[C@@H]2[C@@H](O)C(F)(F)F)CCSC1	ZINC000330267189	676682088	/nfs/dbraw/zinc/68/20/88/676682088.db2.gz	HZYCRZXOMYPMCC-WZRBSPASSA-N	1	0	355.426	1.725	20	30		FDEDRO
O=C(NCC1CC[NH+](C2CC2)CC1)N[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000330274276	676682666	/nfs/dbraw/zinc/68/26/66/676682666.db2.gz	JVNIMCHIURYAGZ-CYBMUJFWSA-N	1	0	362.396	1.528	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCOC2(CCCC2)C1	ZINC000330294742	676683212	/nfs/dbraw/zinc/68/32/12/676683212.db2.gz	FJJTXLFVKJPXPR-IAGOWNOFSA-N	1	0	351.491	1.923	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)C1	ZINC000330358737	676685079	/nfs/dbraw/zinc/68/50/79/676685079.db2.gz	VGJKKRNDOAQJPS-YESZJQIVSA-N	1	0	350.463	1.811	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1	ZINC000330382010	676687716	/nfs/dbraw/zinc/68/77/16/676687716.db2.gz	IUHCGVITCLIDQO-DOTOQJQBSA-N	1	0	356.536	1.957	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)N[C@H]1CCC(=O)NC1(C)C)c1ccc(F)cc1	ZINC000330430414	676690234	/nfs/dbraw/zinc/69/02/34/676690234.db2.gz	JBEDBEYBFAKHGW-CABCVRRESA-N	1	0	350.438	1.989	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@H](CNC(N)=O)C2)C1	ZINC000330474880	676692464	/nfs/dbraw/zinc/69/24/64/676692464.db2.gz	IIAJWSUDCBYZRE-HUUCEWRRSA-N	1	0	355.483	1.052	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)C1	ZINC000330648233	676699538	/nfs/dbraw/zinc/69/95/38/676699538.db2.gz	VQKXJRRRXQXKEX-HZPDHXFCSA-N	1	0	374.551	1.282	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1	ZINC000330726790	676702266	/nfs/dbraw/zinc/70/22/66/676702266.db2.gz	FONKBLYTUNTEDR-MCIONIFRSA-N	1	0	364.471	1.929	20	30		FDEDRO
CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCc1ccc(S(C)(=O)=O)s1	ZINC000330969796	676711845	/nfs/dbraw/zinc/71/18/45/676711845.db2.gz	SVXZJNJXBOPUCY-GFCCVEGCSA-N	1	0	359.517	1.839	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(S(N)(=O)=O)c(F)c1	ZINC000331033268	676714471	/nfs/dbraw/zinc/71/44/71/676714471.db2.gz	JEVNYFJJIZKDEQ-NEPJUHHUSA-N	1	0	357.451	1.898	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)C(=O)NC1(C#N)CCCCC1	ZINC000331170066	676719736	/nfs/dbraw/zinc/71/97/36/676719736.db2.gz	HYBBSSWJMNJSNJ-RRFJBIMHSA-N	1	0	370.519	1.168	20	30		FDEDRO
CSC1(CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CCOCC1	ZINC000331232846	676723226	/nfs/dbraw/zinc/72/32/26/676723226.db2.gz	RJZIGKXHYJAGNZ-CQSZACIVSA-N	1	0	359.536	1.590	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)C[C@@H]1C	ZINC000331297793	676726257	/nfs/dbraw/zinc/72/62/57/676726257.db2.gz	UWRVSVHZBMSDIK-DZGCQCFKSA-N	1	0	368.503	1.993	20	30		FDEDRO
Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1S(=O)(=O)NCC#N	ZINC000334042568	676775666	/nfs/dbraw/zinc/77/56/66/676775666.db2.gz	SLQRBGMGIGBJTI-ZFWWWQNUSA-N	1	0	364.471	1.009	20	30		FDEDRO
C#CCNC(=O)C1CCN(Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CC1	ZINC000360322993	676865317	/nfs/dbraw/zinc/86/53/17/676865317.db2.gz	MPYSDMOJIVSEAY-UHFFFAOYSA-N	1	0	360.527	1.871	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@]2([NH+](C)C)CCCSC2)c1	ZINC000361218378	676887399	/nfs/dbraw/zinc/88/73/99/676887399.db2.gz	UPXVNCGZCSKOQU-LJQANCHMSA-N	1	0	359.495	1.892	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H](S(=O)(=O)NC)C1)C(C)C	ZINC000362129029	676909274	/nfs/dbraw/zinc/90/92/74/676909274.db2.gz	JYJGOQVAEWZNCQ-HZPDHXFCSA-N	1	0	372.535	1.018	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@H](S(=O)(=O)NC)C1)C(C)C	ZINC000362129026	676909384	/nfs/dbraw/zinc/90/93/84/676909384.db2.gz	JYJGOQVAEWZNCQ-HOTGVXAUSA-N	1	0	372.535	1.018	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCC[N@@H+](C2CCCCC2)C1	ZINC000364633378	677037221	/nfs/dbraw/zinc/03/72/21/677037221.db2.gz	NGIBQUCMMDEXNB-HNNXBMFYSA-N	1	0	357.520	1.684	20	30		FDEDRO
CC(C)C[C@H](NC(=O)NCc1ccc(C#N)s1)C(=O)NCC[NH+](C)C	ZINC000422218523	680698111	/nfs/dbraw/zinc/69/81/11/680698111.db2.gz	MRSBPCFPUUGFIA-HNNXBMFYSA-N	1	0	365.503	1.511	20	30		FDEDRO
CN(C(=O)CN1CC[NH+]([C@H]2CCSC2)CC1)C1(C#N)CCCCC1	ZINC000365895919	677390003	/nfs/dbraw/zinc/39/00/03/677390003.db2.gz	WHANWHVOQIEEKO-INIZCTEOSA-N	1	0	350.532	1.794	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@]2(F)CC[NH2+]C2)cc1	ZINC000366329525	677434213	/nfs/dbraw/zinc/43/42/13/677434213.db2.gz	KPHZCYAPELQSBI-IEOAWGNMSA-N	1	0	368.434	1.140	20	30		FDEDRO
N#Cc1ncn(C2CC[NH+](C[C@@H](O)COc3ccc(Cl)cc3)CC2)n1	ZINC000366339801	677435667	/nfs/dbraw/zinc/43/56/67/677435667.db2.gz	MISMZNRBYQTGTH-OAHLLOKOSA-N	1	0	361.833	1.880	20	30		FDEDRO
C[NH+]1CCN([C@@H]2CCCCN(S(=O)(=O)CCC(C)(C)C#N)C2)CC1	ZINC000368134814	677497839	/nfs/dbraw/zinc/49/78/39/677497839.db2.gz	ZLPCYXQWQXVVJR-MRXNPFEDSA-N	1	0	356.536	1.358	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@H](C1CC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000368616362	677500794	/nfs/dbraw/zinc/50/07/94/677500794.db2.gz	SSJDXDHAPMCYBP-GDBMZVCRSA-N	1	0	353.463	1.293	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@H](C1CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000368616363	677500850	/nfs/dbraw/zinc/50/08/50/677500850.db2.gz	SSJDXDHAPMCYBP-GOEBONIOSA-N	1	0	353.463	1.293	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CCCCC2)C1	ZINC000368815904	677501857	/nfs/dbraw/zinc/50/18/57/677501857.db2.gz	ANWZEQRZBSLJQK-HUUCEWRRSA-N	1	0	350.463	1.111	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCC[N@@H+]1CCc1ccccc1	ZINC000370297850	677562466	/nfs/dbraw/zinc/56/24/66/677562466.db2.gz	MUBSTWHXNVTCPG-AEFFLSMTSA-N	1	0	364.515	1.619	20	30		FDEDRO
C=CCNc1ncc(C(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)s1	ZINC000370778615	677613554	/nfs/dbraw/zinc/61/35/54/677613554.db2.gz	HOSNQAZOTVIDIL-KBPBESRZSA-N	1	0	350.488	1.972	20	30		FDEDRO
CC(C)(O)C[N@@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1	ZINC000372493781	677925317	/nfs/dbraw/zinc/92/53/17/677925317.db2.gz	ACDWMLIEMNZQKK-UHFFFAOYSA-N	1	0	355.435	1.165	20	30		FDEDRO
Cc1sc(NC(=O)CN2CCC[N@H+](CC(C)(C)O)CC2)c(C#N)c1C	ZINC000372544763	677934393	/nfs/dbraw/zinc/93/43/93/677934393.db2.gz	HGEXGCMSKDOLNN-UHFFFAOYSA-N	1	0	364.515	1.954	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H](C(=O)Nc2nccs2)C1	ZINC000373920959	678068705	/nfs/dbraw/zinc/06/87/05/678068705.db2.gz	JQVDRKYLDRTMJQ-VXGBXAGGSA-N	1	0	365.459	1.194	20	30		FDEDRO
C=CCOCCNC(=O)NCCC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000374726762	678090237	/nfs/dbraw/zinc/09/02/37/678090237.db2.gz	QCADIYPCVBWRMM-UHFFFAOYSA-N	1	0	352.523	1.685	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CNC(=O)NCC(=O)NCC#N)[C@H]1c1cccc(Cl)c1	ZINC000376318184	678272395	/nfs/dbraw/zinc/27/23/95/678272395.db2.gz	ZROWGVCBELCOFD-XJKSGUPXSA-N	1	0	363.849	1.272	20	30		FDEDRO
CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)S(=O)(=O)c1ccc(C#N)o1	ZINC000376343838	678280397	/nfs/dbraw/zinc/28/03/97/678280397.db2.gz	LBOMQFXYWGYHJU-YOEHRIQHSA-N	1	0	360.439	1.860	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1	ZINC000423022719	680772604	/nfs/dbraw/zinc/77/26/04/680772604.db2.gz	IHDQXQWONJZXQL-QWHCGFSZSA-N	1	0	367.902	1.984	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)CCC(C)(C)C#N)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000377883139	678641923	/nfs/dbraw/zinc/64/19/23/678641923.db2.gz	IBINGMDVCVESSO-HZPDHXFCSA-N	1	0	356.536	1.214	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1	ZINC000377990627	678666401	/nfs/dbraw/zinc/66/64/01/678666401.db2.gz	AIETXSOEZQDHMX-CYBMUJFWSA-N	1	0	364.427	1.477	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000409501216	678853391	/nfs/dbraw/zinc/85/33/91/678853391.db2.gz	LTHIVXJDSHVSRZ-NVXWUHKLSA-N	1	0	350.488	1.577	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1	ZINC000409569250	678862060	/nfs/dbraw/zinc/86/20/60/678862060.db2.gz	DHPKIWLQWLEEMY-RDJZCZTQSA-N	1	0	350.488	1.892	20	30		FDEDRO
CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)N(CCC#N)CCOC	ZINC000409590396	678864605	/nfs/dbraw/zinc/86/46/05/678864605.db2.gz	BMHQZUCPYIALDJ-MRXNPFEDSA-N	1	0	360.524	1.337	20	30		FDEDRO
CC[C@@H](CNS(=O)(=O)N(CC)CCC#N)[N@@H+]1CCc2ccccc2C1	ZINC000409591449	678865038	/nfs/dbraw/zinc/86/50/38/678865038.db2.gz	LOQXZVNXHUZBQT-SFHVURJKSA-N	1	0	364.515	1.893	20	30		FDEDRO
C[C@@H]([NH2+]C(C)(C)CNS(=O)(=O)N1CCO[C@@H](C#N)C1)c1ccccc1	ZINC000410130114	678881493	/nfs/dbraw/zinc/88/14/93/678881493.db2.gz	JPPUXPQPWJOSGM-ZBFHGGJFSA-N	1	0	366.487	1.175	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000410146764	678885521	/nfs/dbraw/zinc/88/55/21/678885521.db2.gz	BZHLNEAPLUMDNV-GOSISDBHSA-N	1	0	364.515	1.921	20	30		FDEDRO
COC(=O)[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2C#N)CC[N@H+](C)C1	ZINC000411910390	679093701	/nfs/dbraw/zinc/09/37/01/679093701.db2.gz	GNOGEVIVKQKFJL-CYBMUJFWSA-N	1	0	364.833	1.187	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1	ZINC000414896585	679373102	/nfs/dbraw/zinc/37/31/02/679373102.db2.gz	PNUMPYGOZHJJLN-DZGCQCFKSA-N	1	0	366.487	1.755	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]([NH3+])C2)cc1	ZINC000414901834	679373606	/nfs/dbraw/zinc/37/36/06/679373606.db2.gz	XNZJOPIYRVBMAA-CYBMUJFWSA-N	1	0	352.460	1.448	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	ZINC000414914836	679373827	/nfs/dbraw/zinc/37/38/27/679373827.db2.gz	PNHYRWNXPUTIRE-NXEZZACHSA-N	1	0	362.484	2.559	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)cc1Br	ZINC000415262211	679397200	/nfs/dbraw/zinc/39/72/00/679397200.db2.gz	FPXYOLALZXDVAO-JTQLQIEISA-N	1	0	351.204	1.209	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)NCC(C)(C)[NH3+])c(C#N)cn1CCOC	ZINC000415485083	679438099	/nfs/dbraw/zinc/43/80/99/679438099.db2.gz	ISJTXZYOQBWZMX-UHFFFAOYSA-N	1	0	351.407	1.042	20	30		FDEDRO
N#CCc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(Cl)c1	ZINC000415578901	679457324	/nfs/dbraw/zinc/45/73/24/679457324.db2.gz	JGJNCBJWZFXYNH-GUTXKFCHSA-N	1	0	360.845	1.930	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC[NH2+]C2(C)C)cc1	ZINC000415591921	679460248	/nfs/dbraw/zinc/46/02/48/679460248.db2.gz	BINNQIPJDPIPJQ-RISCZKNCSA-N	1	0	350.444	1.634	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC[C@H]2CCC[NH2+]C2)cc1	ZINC000415596667	679461362	/nfs/dbraw/zinc/46/13/62/679461362.db2.gz	IEXRLJRUEZPHOJ-UONOGXRCSA-N	1	0	364.471	1.884	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1C(F)(F)F	ZINC000415664438	679474668	/nfs/dbraw/zinc/47/46/68/679474668.db2.gz	ZIDDWDYHURCLCZ-QWRGUYRKSA-N	1	0	354.332	1.902	20	30		FDEDRO
C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000415736310	679488929	/nfs/dbraw/zinc/48/89/29/679488929.db2.gz	AOUAWVYCKCLIRL-JTQLQIEISA-N	1	0	367.247	1.893	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H](C)NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000415777149	679498136	/nfs/dbraw/zinc/49/81/36/679498136.db2.gz	BSDDQQFVCFDTJB-RKDXNWHRSA-N	1	0	358.320	1.290	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C[C@H]1[NH3+]	ZINC000415850277	679525583	/nfs/dbraw/zinc/52/55/83/679525583.db2.gz	WXZWECNFSYDWGD-PRHODGIISA-N	1	0	351.204	1.065	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)C(=O)NCCSCc2ccccc2C#N)CC[NH2+]1	ZINC000418922283	680154130	/nfs/dbraw/zinc/15/41/30/680154130.db2.gz	MUPVTRCRKWIJPP-BBRMVZONSA-N	1	0	360.483	1.164	20	30		FDEDRO
C=C(C)[C@@H](NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1	ZINC000419670488	680313823	/nfs/dbraw/zinc/31/38/23/680313823.db2.gz	CWSGFQGUCSDNHA-BLLLJJGKSA-N	1	0	351.397	1.814	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1)c1ccc(F)c(F)c1	ZINC000419675380	680316440	/nfs/dbraw/zinc/31/64/40/680316440.db2.gz	KGXCGXAKWACFJB-LRDDRELGSA-N	1	0	351.397	1.766	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)c1ccc(F)c(F)c1	ZINC000419677435	680317456	/nfs/dbraw/zinc/31/74/56/680317456.db2.gz	MTESSKYRZIGOOU-LRDDRELGSA-N	1	0	351.397	1.814	20	30		FDEDRO
CC[NH+](CC)CCNC(=O)C(=O)Nc1cccc(C#N)c1Br	ZINC000419696400	680326350	/nfs/dbraw/zinc/32/63/50/680326350.db2.gz	MQRFLZSDLZVMJB-UHFFFAOYSA-N	1	0	367.247	1.717	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](CCO)CC2)CC1	ZINC000421019219	680589591	/nfs/dbraw/zinc/58/95/91/680589591.db2.gz	PDUQSCCCUJOTKO-QZTJIDSGSA-N	1	0	350.507	1.163	20	30		FDEDRO
CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000421702129	680672421	/nfs/dbraw/zinc/67/24/21/680672421.db2.gz	JLVAJIORFBGFDB-HNNXBMFYSA-N	1	0	364.471	1.045	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1	ZINC000425878824	680938582	/nfs/dbraw/zinc/93/85/82/680938582.db2.gz	ZEAJLEQRBDRWAN-IKGGRYGDSA-N	1	0	351.491	1.322	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C	ZINC000430382817	681074196	/nfs/dbraw/zinc/07/41/96/681074196.db2.gz	FAYGIILRVNHHTP-SJORKVTESA-N	1	0	353.507	1.661	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CC[C@](C)(NCC(=O)OC(C)(C)C)C1	ZINC000440490320	682001550	/nfs/dbraw/zinc/00/15/50/682001550.db2.gz	QULAVQMKICDPIS-SFHVURJKSA-N	1	0	352.479	1.144	20	30		FDEDRO
CC[C@H]([NH2+][C@H](C)C(=O)NC[C@H]1CCS(=O)(=O)C1)c1ccc(C#N)cc1	ZINC000447588507	682555796	/nfs/dbraw/zinc/55/57/96/682555796.db2.gz	UQGRWJQKVBEPID-UNEWFSDZSA-N	1	0	363.483	1.538	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C	ZINC000447946245	682584063	/nfs/dbraw/zinc/58/40/63/682584063.db2.gz	UKTCBWWDUSXJNJ-INIZCTEOSA-N	1	0	351.472	1.966	20	30		FDEDRO
N#Cc1cccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1Br	ZINC000450235039	682746511	/nfs/dbraw/zinc/74/65/11/682746511.db2.gz	WBDBISVGHZXGCG-ZDUSSCGKSA-N	1	0	366.259	1.897	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CNS(=O)(=O)CC2(CC#N)CC2)cc1	ZINC000451075170	682810160	/nfs/dbraw/zinc/81/01/60/682810160.db2.gz	USMKOAXNEMWRFC-UHFFFAOYSA-N	1	0	351.472	1.740	20	30		FDEDRO
N#CCC1(CS(=O)(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC1	ZINC000451385419	682874479	/nfs/dbraw/zinc/87/44/79/682874479.db2.gz	SKLWHAFEUSIURK-UHFFFAOYSA-N	1	0	369.531	1.834	20	30		FDEDRO
C=CCC[C@@H](CO)[NH2+][C@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000453340976	683160126	/nfs/dbraw/zinc/16/01/26/683160126.db2.gz	DNTNOEGGKGARLS-WBVHZDCISA-N	1	0	368.499	1.685	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(S(=O)(=O)CC2(C#N)CCCCC2)CC1	ZINC000475772746	685638815	/nfs/dbraw/zinc/63/88/15/685638815.db2.gz	ARZLZLIICUKMLL-UHFFFAOYSA-N	1	0	357.520	1.569	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCCCC[N@@H+](C)C2CC2)cc1	ZINC000457170289	683727610	/nfs/dbraw/zinc/72/76/10/683727610.db2.gz	GBNFIAFQUFZNSK-UHFFFAOYSA-N	1	0	365.499	1.755	20	30		FDEDRO
Cc1nc(NCCCC[NH+]2CCN(CCO)CC2)c(Cl)cc1C#N	ZINC000461967673	684604718	/nfs/dbraw/zinc/60/47/18/684604718.db2.gz	QSRSJMUNDZAQHS-UHFFFAOYSA-N	1	0	351.882	1.717	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2F)C[C@H]1[NH+](C)C	ZINC000480723508	686213996	/nfs/dbraw/zinc/21/39/96/686213996.db2.gz	ZRWSLMRQKQEMLT-CABCVRRESA-N	1	0	357.476	1.505	20	30		FDEDRO
CC[N@H+](CCNC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1)C1CC1	ZINC000483439692	686507722	/nfs/dbraw/zinc/50/77/22/686507722.db2.gz	BODZTBIZULNFSN-CYBMUJFWSA-N	1	0	364.471	1.978	20	30		FDEDRO
C=CCNC(=O)C[N@@H+](C)[C@@H](C)c1ccc(N2CCCS2(=O)=O)cc1	ZINC000485833617	686782837	/nfs/dbraw/zinc/78/28/37/686782837.db2.gz	LPXGEMJBUVNGQX-AWEZNQCLSA-N	1	0	351.472	1.522	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@H](COCC3CC3)C2)CC1	ZINC000486192205	686848255	/nfs/dbraw/zinc/84/82/55/686848255.db2.gz	RCGNMMGAIMKAMR-SFHVURJKSA-N	1	0	351.491	1.864	20	30		FDEDRO
N#Cc1ncn(CC[NH2+]CC2=Cc3cc(Br)ccc3OC2)n1	ZINC000512885216	689646726	/nfs/dbraw/zinc/64/67/26/689646726.db2.gz	MKULHVWPPNZHNJ-UHFFFAOYSA-N	1	0	360.215	1.978	20	30		FDEDRO
C[NH2+]CC1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1	ZINC000516768867	689988341	/nfs/dbraw/zinc/98/83/41/689988341.db2.gz	CGQFTEGKRLCYHL-UHFFFAOYSA-N	1	0	372.288	1.941	20	30		FDEDRO
CSc1nc(C2CC2)cc(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1C#N	ZINC000520376585	690314355	/nfs/dbraw/zinc/31/43/55/690314355.db2.gz	GQBNRTMVQAKRHW-CYBMUJFWSA-N	1	0	359.499	1.528	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1	ZINC000527902793	694693239	/nfs/dbraw/zinc/69/32/39/694693239.db2.gz	SNFYRRFYJLFSNZ-SJORKVTESA-N	1	0	351.491	1.864	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1	ZINC000636516365	695163566	/nfs/dbraw/zinc/16/35/66/695163566.db2.gz	AERUPYDSAIHEAO-UHFFFAOYSA-N	1	0	352.523	1.237	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[N@H+](CCN1CCOCC1)[C@H]1CCSC1	ZINC000639772039	695496508	/nfs/dbraw/zinc/49/65/08/695496508.db2.gz	KDQFBRBJDBPRRC-KRWDZBQOSA-N	1	0	355.548	1.551	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1NCC1([NH+](C)C)CCOCC1	ZINC000641377367	696077099	/nfs/dbraw/zinc/07/70/99/696077099.db2.gz	UPXBQLDUMXXJOW-UHFFFAOYSA-N	1	0	353.488	1.674	20	30		FDEDRO
COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1C[C@H]2OCC[N@H+](C)[C@H]2C1	ZINC001164672483	719411891	/nfs/dbraw/zinc/41/18/91/719411891.db2.gz	RWGSJOQURSOMEX-JKSUJKDBSA-N	1	0	373.529	1.616	20	30		FDEDRO
CC(C)N(C)Cc1nn(-c2ncnc3[nH]cc(C#N)c32)c2c1CC[NH2+]C2	ZINC001164685188	719603391	/nfs/dbraw/zinc/60/33/91/719603391.db2.gz	SLLZALYNPMHKJO-UHFFFAOYSA-N	1	0	350.430	1.501	20	30		FDEDRO
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cncc(CC#N)n2)CC1	ZINC001164823256	720333267	/nfs/dbraw/zinc/33/32/67/720333267.db2.gz	ADLHPRXOLCBUFV-ROUUACIJSA-N	1	0	368.485	1.454	20	30		FDEDRO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cncc(CC#N)n2)CC1	ZINC001164823253	720333435	/nfs/dbraw/zinc/33/34/35/720333435.db2.gz	ADLHPRXOLCBUFV-MSOLQXFVSA-N	1	0	368.485	1.454	20	30		FDEDRO
CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cnc(C#N)cn3)CC[C@@H]21	ZINC001164833719	720517312	/nfs/dbraw/zinc/51/73/12/720517312.db2.gz	DOODLHUDBFCVNQ-SZMVWBNQSA-N	1	0	351.458	1.923	20	30		FDEDRO
N#Cc1ncc(Cl)nc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1	ZINC001164733341	720556261	/nfs/dbraw/zinc/55/62/61/720556261.db2.gz	LVCYJFIZVBQGOX-UHFFFAOYSA-N	1	0	357.849	1.857	20	30		FDEDRO
N#Cc1cc2c(nc1N1CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C1)CCC2	ZINC001164737468	720763297	/nfs/dbraw/zinc/76/32/97/720763297.db2.gz	BUCKEARJBLOHBB-IRXDYDNUSA-N	1	0	362.437	1.574	20	30		FDEDRO
CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc(C#N)cn4)C3)O2)CC1	ZINC001164885654	721377699	/nfs/dbraw/zinc/37/76/99/721377699.db2.gz	CXTLPIVKVSLSTF-ICSRJNTNSA-N	1	0	355.486	1.719	20	30		FDEDRO
Cc1nc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)cnc1C#N	ZINC001164896555	721428776	/nfs/dbraw/zinc/42/87/76/721428776.db2.gz	RMKZXCCCGWYFBN-XLIONFOSSA-N	1	0	370.501	1.422	20	30		FDEDRO
Cc1cnc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)c(C#N)c1	ZINC001164795511	721509467	/nfs/dbraw/zinc/50/94/67/721509467.db2.gz	KMRIFWXHDLSNRR-UHFFFAOYSA-N	1	0	351.458	1.226	20	30		FDEDRO
C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncc(F)cc2C#N)CC3)CC1	ZINC001164794724	721509989	/nfs/dbraw/zinc/50/99/89/721509989.db2.gz	UTYMHXARSBSMOO-UHFFFAOYSA-N	1	0	355.421	1.056	20	30		FDEDRO
N#Cc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cn1	ZINC001164982269	722104143	/nfs/dbraw/zinc/10/41/43/722104143.db2.gz	NDNNVVQNENDCNB-AEFFLSMTSA-N	1	0	350.426	1.471	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)nn1CCC#N	ZINC000277558907	782581488	/nfs/dbraw/zinc/58/14/88/782581488.db2.gz	RKOGYVSNGFCNJF-OAHLLOKOSA-N	1	0	358.446	1.177	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1	ZINC000277560623	782595887	/nfs/dbraw/zinc/59/58/87/782595887.db2.gz	ROZQAFZBCOOFMN-INIZCTEOSA-N	1	0	373.428	1.909	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC(F)F)C2	ZINC001112470535	769148815	/nfs/dbraw/zinc/14/88/15/769148815.db2.gz	MFNZRCZCWCFJAG-DEYYWGMASA-N	1	0	355.429	1.388	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCCCS1(=O)=O)C2	ZINC001112470861	769158199	/nfs/dbraw/zinc/15/81/99/769158199.db2.gz	VLALECSJMSDGCE-WMZOPIPTSA-N	1	0	369.531	1.206	20	30		FDEDRO
CC(C)C[C@H](C(N)=O)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C	ZINC001211490053	769235743	/nfs/dbraw/zinc/23/57/43/769235743.db2.gz	SAXLIFPKDWITNB-ZTFGCOKTSA-N	1	0	356.470	1.642	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C)nc1	ZINC001020440200	769703865	/nfs/dbraw/zinc/70/38/65/769703865.db2.gz	BTBHLIRBHRUZFH-WTTBNOFXSA-N	1	0	354.454	1.122	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCO[C@@H]3C[N@H+](CC[C@@H]4CCOC4)C[C@@H]32)c1	ZINC001083188391	769983001	/nfs/dbraw/zinc/98/30/01/769983001.db2.gz	SQFLHONQDPOKFU-NZSAHSFTSA-N	1	0	355.438	1.015	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C(N)=O)c2ccc(F)cc2)C1	ZINC001022736773	782797481	/nfs/dbraw/zinc/79/74/81/782797481.db2.gz	BKFSGZAFMFWWTC-BPKGMFCQSA-N	1	0	361.417	1.180	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nncn2-c2ccccc2)C1	ZINC001022737031	782798086	/nfs/dbraw/zinc/79/80/86/782798086.db2.gz	NDZMEYCKCMDAMT-ATLSCFEFSA-N	1	0	367.453	1.595	20	30		FDEDRO
CO[C@H]1C[C@@H]([N@H+](C)CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000510092561	770043716	/nfs/dbraw/zinc/04/37/16/770043716.db2.gz	ADMOFZHGWOHNKX-CEXWTWQISA-N	1	0	374.460	1.644	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3CCC)[C@H]2C)CC1	ZINC001020557994	770487199	/nfs/dbraw/zinc/48/71/99/770487199.db2.gz	MCSOTGDURNTIHE-AITUJVMLSA-N	1	0	359.514	1.873	20	30		FDEDRO
C[C@H](NC(=O)[C@H]1C[C@@H](C)CC(=O)N1)C1C[NH+](Cc2cccc(C#N)c2)C1	ZINC000969688152	770653717	/nfs/dbraw/zinc/65/37/17/770653717.db2.gz	SXBIVVPHSIRTDB-QWQRMKEZSA-N	1	0	354.454	1.409	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1C	ZINC001020592075	770912058	/nfs/dbraw/zinc/91/20/58/770912058.db2.gz	AKNUTSFXQFAFPG-QEOTZNIISA-N	1	0	351.491	1.413	20	30		FDEDRO
Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC001020603592	770975916	/nfs/dbraw/zinc/97/59/16/770975916.db2.gz	IMOOLWICDMIAQA-QBPKDAKJSA-N	1	0	367.428	1.971	20	30		FDEDRO
Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1	ZINC000970013495	771200735	/nfs/dbraw/zinc/20/07/35/771200735.db2.gz	VJBNBRDDCCSSFZ-BRWVUGGUSA-N	1	0	367.428	1.925	20	30		FDEDRO
C#CCCN1C[C@H]2OCCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@H]2C1	ZINC001083193938	771222941	/nfs/dbraw/zinc/22/29/41/771222941.db2.gz	NWZDHWSCDWGAQA-FCEWJHQRSA-N	1	0	351.466	1.134	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCC[C@H](C)C2)C1	ZINC001020726131	771302915	/nfs/dbraw/zinc/30/29/15/771302915.db2.gz	AQWDGUCZYBLWOX-WSRJKRBPSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(N4CCCC4)nn3)[C@H]2C1	ZINC001083245193	782914575	/nfs/dbraw/zinc/91/45/75/782914575.db2.gz	DBXILHSOVYJBFT-DLBZAZTESA-N	1	0	357.458	1.178	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)CN[C@@H](CO)c2cnn(C)c2)c1C	ZINC000275160131	771369751	/nfs/dbraw/zinc/36/97/51/771369751.db2.gz	IQCAODHOSGQJGT-KRWDZBQOSA-N	1	0	355.442	1.607	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3c(c2)NC(=O)C3)C[C@H]1C	ZINC001104231462	771430162	/nfs/dbraw/zinc/43/01/62/771430162.db2.gz	BDHYBPUJCZCFJV-CRAIPNDOSA-N	1	0	369.465	1.519	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1CC[NH2+]Cc1ccccc1C#N	ZINC001104241214	771641605	/nfs/dbraw/zinc/64/16/05/771641605.db2.gz	PZVOYSGYZLLVKM-CRAIPNDOSA-N	1	0	352.442	1.424	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1	ZINC000966835553	771715406	/nfs/dbraw/zinc/71/54/06/771715406.db2.gz	OIPMFYAZIDNXRL-KURKYZTESA-N	1	0	363.502	1.370	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1	ZINC000430378871	771718208	/nfs/dbraw/zinc/71/82/08/771718208.db2.gz	NEUUCNVYNFMZCP-BZSNNMDCSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1	ZINC001167214529	771738604	/nfs/dbraw/zinc/73/86/04/771738604.db2.gz	QRULYYJYVPWIMB-DLBZAZTESA-N	1	0	363.502	1.609	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1	ZINC000430408120	771830096	/nfs/dbraw/zinc/83/00/96/771830096.db2.gz	YIZZLZDCWVGRNY-KSZLIROESA-N	1	0	363.502	1.561	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001067431569	771840407	/nfs/dbraw/zinc/84/04/07/771840407.db2.gz	SEQZXRVDKOIPLT-YESZJQIVSA-N	1	0	351.491	1.062	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000275495738	771848090	/nfs/dbraw/zinc/84/80/90/771848090.db2.gz	RQWCISFRPSCGAY-FQEVSTJZSA-N	1	0	361.486	1.823	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]Cc2ccnc(OC)n2)CC1	ZINC001167274678	771851665	/nfs/dbraw/zinc/85/16/65/771851665.db2.gz	ZKTASOPMRAUPEW-CVEARBPZSA-N	1	0	360.458	1.452	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2CC)CC1	ZINC001167285302	771985347	/nfs/dbraw/zinc/98/53/47/771985347.db2.gz	PUANMCOUGJCDDE-RBSFLKMASA-N	1	0	364.490	1.309	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2O)CC1	ZINC000970336882	772366311	/nfs/dbraw/zinc/36/63/11/772366311.db2.gz	XJGHZTMKWWHIAG-MSOLQXFVSA-N	1	0	368.437	1.382	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cc(Br)n[nH]2)C[C@H]1C	ZINC001104256953	772450047	/nfs/dbraw/zinc/45/00/47/772450047.db2.gz	XVOXYWOUQVDMAH-VXGBXAGGSA-N	1	0	353.264	1.883	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2cccnc2)CC1	ZINC001167296010	772492532	/nfs/dbraw/zinc/49/25/32/772492532.db2.gz	VQZOHRBFMFDIFY-DLBZAZTESA-N	1	0	356.470	1.363	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2sccc2C#N)CCN1c1cc[nH+]cc1	ZINC000890985390	772640949	/nfs/dbraw/zinc/64/09/49/772640949.db2.gz	ZCBIPWFJSDLXEP-LBPRGKRZSA-N	1	0	355.423	1.691	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1cnn(C)n1	ZINC001021260295	772672399	/nfs/dbraw/zinc/67/23/99/772672399.db2.gz	IZUAGAUSNAAMBH-JQWQUYJUSA-N	1	0	359.474	1.408	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(CCOC)CC2)C[C@H]1C	ZINC001104276809	772731767	/nfs/dbraw/zinc/73/17/67/772731767.db2.gz	MLBYYSNZYSWLIS-BRWVUGGUSA-N	1	0	363.502	1.015	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H]3CCN(CC)C3=O)C2)CCC1	ZINC001104279620	772755427	/nfs/dbraw/zinc/75/54/27/772755427.db2.gz	HKNDSLRAUBMQAB-KZNAEPCWSA-N	1	0	359.514	1.875	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@H](OCC)C(C)C)C[C@H]1C	ZINC001104286856	773054497	/nfs/dbraw/zinc/05/44/97/773054497.db2.gz	KCFCMPPVEUXOQL-KURKYZTESA-N	1	0	367.534	1.814	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(CN=[S@](C)(=O)N(C)C)CC2)CC1	ZINC000891143067	773403944	/nfs/dbraw/zinc/40/39/44/773403944.db2.gz	DUJVUZRXCISVJS-VWLOTQADSA-N	1	0	368.547	1.145	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCO[C@@H](c3cncn3C)C2)CC1	ZINC000275756891	773632072	/nfs/dbraw/zinc/63/20/72/773632072.db2.gz	ZJSWFFBUTSQFIK-FUHWJXTLSA-N	1	0	361.490	1.980	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCO[C@@H](c3cncn3C)C2)CC1	ZINC000275756895	773632226	/nfs/dbraw/zinc/63/22/26/773632226.db2.gz	ZJSWFFBUTSQFIK-SJLPKXTDSA-N	1	0	361.490	1.980	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CCCS1(=O)=O)C2	ZINC001112494337	773935884	/nfs/dbraw/zinc/93/58/84/773935884.db2.gz	PVOVZQGDQHHXOC-JZXOWHBKSA-N	1	0	352.500	1.195	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cncc(CC)c2)C[C@H]1C	ZINC001104421134	783157799	/nfs/dbraw/zinc/15/77/99/783157799.db2.gz	DHWZKLIMPOVFSC-NVXWUHKLSA-N	1	0	358.486	1.634	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C3CCC3)CCC1)C2	ZINC001112496271	774329858	/nfs/dbraw/zinc/32/98/58/774329858.db2.gz	ORLGBTAYLWHVOA-RXVVDRJESA-N	1	0	371.525	1.925	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1	ZINC001112496213	774332332	/nfs/dbraw/zinc/33/23/32/774332332.db2.gz	LUQWWGKBODWLJH-IHPCNDPISA-N	1	0	368.518	1.442	20	30		FDEDRO
COCC[NH2+]CCCNC(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000275903968	774459691	/nfs/dbraw/zinc/45/96/91/774459691.db2.gz	PKHUPMUZEQGQID-UHFFFAOYSA-N	1	0	362.430	1.050	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1	ZINC000275908112	774479289	/nfs/dbraw/zinc/47/92/89/774479289.db2.gz	RXXYZFRJRPIILN-OAHLLOKOSA-N	1	0	357.454	1.826	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21	ZINC000275918671	774513349	/nfs/dbraw/zinc/51/33/49/774513349.db2.gz	IVROITDAQTYHGF-RHSMWYFYSA-N	1	0	373.428	1.719	20	30		FDEDRO
C=CCn1c(N2CC[N@H+](C)[C@H](C(C)C)C2)nnc1[C@@]1(OCC)CCOC1	ZINC000643697180	774623795	/nfs/dbraw/zinc/62/37/95/774623795.db2.gz	MKLNZSBICBNRGL-QFBILLFUSA-N	1	0	363.506	1.893	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CCO[C@H]2C(=C)C)CC1	ZINC001167435197	774841692	/nfs/dbraw/zinc/84/16/92/774841692.db2.gz	NFOIAYZUBHPHFC-ULQDDVLXSA-N	1	0	363.502	1.534	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CN2CCCCS2(=O)=O)C[C@H]1C	ZINC001104422179	783217776	/nfs/dbraw/zinc/21/77/76/783217776.db2.gz	DLXLMOJWJMMUTD-IAGOWNOFSA-N	1	0	371.547	1.452	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1	ZINC001021744990	774979147	/nfs/dbraw/zinc/97/91/47/774979147.db2.gz	AZFCWZXURUZQOU-RCCFBDPRSA-N	1	0	359.514	1.990	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)CCCN(C)C(=O)C[NH+](CC)CC	ZINC001067477999	774999893	/nfs/dbraw/zinc/99/98/93/774999893.db2.gz	QLKJLPRBDQHJBB-SJORKVTESA-N	1	0	353.507	1.616	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cc[nH]c2C)C1=O	ZINC001087145775	775279233	/nfs/dbraw/zinc/27/92/33/775279233.db2.gz	CYEJOGXNCKUVIR-UWWQBHOKSA-N	1	0	358.486	1.940	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)c2nc3ncc(C)cn3n2)C[C@H]1C	ZINC001104335415	775502127	/nfs/dbraw/zinc/50/21/27/775502127.db2.gz	XKHZPHUUMCMRRV-TZMCWYRMSA-N	1	0	362.865	1.873	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1	ZINC000430556688	775924871	/nfs/dbraw/zinc/92/48/71/775924871.db2.gz	ZFVATTCGDZUQHB-SJLPKXTDSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1CC[C@H](C(=O)OC)C[C@@H]1[C@H]1CCCO1	ZINC000933174900	776006232	/nfs/dbraw/zinc/00/62/32/776006232.db2.gz	DMROHNHJERAZEL-GVDBMIGSSA-N	1	0	352.475	1.844	20	30		FDEDRO
CC(C)C[C@H]1C[N@H+](C)CCN1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000933252549	776412219	/nfs/dbraw/zinc/41/22/19/776412219.db2.gz	YNWQZGRRSYBWQO-OALUTQOASA-N	1	0	363.550	1.341	20	30		FDEDRO
C=CCn1cc(C(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccccc4C)C[C@@H]32)nn1	ZINC001083217468	776571082	/nfs/dbraw/zinc/57/10/82/776571082.db2.gz	AAAYCJRIEKZSKU-RBUKOAKNSA-N	1	0	367.453	1.498	20	30		FDEDRO
Cc1cnc2c(cnn2CC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1	ZINC000891418627	776973217	/nfs/dbraw/zinc/97/32/17/776973217.db2.gz	NXDBURZEOSVPQS-UHFFFAOYSA-N	1	0	374.448	1.956	20	30		FDEDRO
C[C@@H]1CCN(C(=O)CCn2ccnn2)[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001087155805	777051528	/nfs/dbraw/zinc/05/15/28/777051528.db2.gz	IONFPJSDRONRHX-APWZRJJASA-N	1	0	366.469	1.957	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H]2OCCO[C@H]2C)C1	ZINC001075421179	777067839	/nfs/dbraw/zinc/06/78/39/777067839.db2.gz	QCXFDFPYEJEOLZ-ZSXHRAQDSA-N	1	0	374.456	1.785	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(COCC)CC2)C[C@H]1C	ZINC001104363927	777490733	/nfs/dbraw/zinc/49/07/33/777490733.db2.gz	OLOAEHDVGJJHIP-BRWVUGGUSA-N	1	0	365.518	1.568	20	30		FDEDRO
Cc1c(C(=O)N2CC[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]32)ccc2c[nH+]cn21	ZINC001022058207	777590945	/nfs/dbraw/zinc/59/09/45/777590945.db2.gz	RBYQALYFFJMWCS-HACGYAERSA-N	1	0	351.410	1.475	20	30		FDEDRO
Cc1c(C(=O)N2CC[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]32)ccc2c[nH+]cn21	ZINC001022058210	777594716	/nfs/dbraw/zinc/59/47/16/777594716.db2.gz	RBYQALYFFJMWCS-RVSPLBMKSA-N	1	0	351.410	1.475	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccco2)C[C@H]1c1ccccc1	ZINC001211517179	777656382	/nfs/dbraw/zinc/65/63/82/777656382.db2.gz	QHWGSLNAZJCHMJ-BPQIPLTHSA-N	1	0	365.433	1.615	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CC2CC(F)(F)C2)C[C@H]1C	ZINC001104364789	777741968	/nfs/dbraw/zinc/74/19/68/777741968.db2.gz	FXTNHHUSNCLRDT-IIAWOOMASA-N	1	0	369.456	1.634	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCC[C@@H]2C)C1	ZINC001022098946	777904239	/nfs/dbraw/zinc/90/42/39/777904239.db2.gz	VENUBERHDCUFSB-AVEIZBFRSA-N	1	0	363.502	1.605	20	30		FDEDRO
C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CN(CC#N)CC[C@@H]2c2ccc(F)cc2)C1	ZINC001075424513	777986787	/nfs/dbraw/zinc/98/67/87/777986787.db2.gz	PUUFZJWYNWVEJR-YQVWRLOYSA-N	1	0	358.461	1.823	20	30		FDEDRO
C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C	ZINC001104368298	777988914	/nfs/dbraw/zinc/98/89/14/777988914.db2.gz	JLHROJVYGWTYMH-IAGOWNOFSA-N	1	0	363.506	1.402	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(F)CCCC2)C[C@H]1C	ZINC001104368739	778043122	/nfs/dbraw/zinc/04/31/22/778043122.db2.gz	JGEOASGQBVDPKG-BZUAXINKSA-N	1	0	351.466	1.481	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N3CCC[C@H]4[NH2+]CC[C@@H]43)CC2)nc1	ZINC000891498809	778146946	/nfs/dbraw/zinc/14/69/46/778146946.db2.gz	MHQVBYNIKQSBPT-SJORKVTESA-N	1	0	354.458	1.458	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2ccc(C)nn2)C1=O	ZINC001087165073	778199428	/nfs/dbraw/zinc/19/94/28/778199428.db2.gz	DWVZZYDWUYKBPE-HYVNUMGLSA-N	1	0	371.485	1.402	20	30		FDEDRO
COc1cccc([C@H]2C[NH2+]CCN2C(=O)NC2CCN(CC#N)CC2)c1	ZINC000891524490	778215225	/nfs/dbraw/zinc/21/52/25/778215225.db2.gz	JFOLQBINEUZKLJ-GOSISDBHSA-N	1	0	357.458	1.339	20	30		FDEDRO
C#CCN(C(=O)NC[C@@H]1CC[C@]2(CO[C@@H](C)[C@@H]2C)O1)C1CC[NH+](C)CC1	ZINC000924051911	778370101	/nfs/dbraw/zinc/37/01/01/778370101.db2.gz	MTLOHAQHSHVRDY-ZTTFOMCMSA-N	1	0	363.502	1.698	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)CC2)o1	ZINC000276606428	778376436	/nfs/dbraw/zinc/37/64/36/778376436.db2.gz	OYBIFSKKXGTTQE-IUODEOHRSA-N	1	0	357.458	1.813	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1	ZINC001022223653	778748366	/nfs/dbraw/zinc/74/83/66/778748366.db2.gz	JFTLHQYUWGAPIG-XYJFISCASA-N	1	0	358.486	1.687	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1	ZINC000971707495	778768724	/nfs/dbraw/zinc/76/87/24/778768724.db2.gz	IMXJWLHHOFXCSZ-SOLBZPMBSA-N	1	0	369.469	1.434	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCC(C)CC1	ZINC001111489931	779160277	/nfs/dbraw/zinc/16/02/77/779160277.db2.gz	OHTALTNJWJXFPA-MLHJIOFPSA-N	1	0	363.502	1.558	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1CC[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001104380059	779173061	/nfs/dbraw/zinc/17/30/61/779173061.db2.gz	ZMVHETLYINXHSK-TZMCWYRMSA-N	1	0	356.405	1.703	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@]34CCC[C@H]3[NH2+]CC4)C2=O)cc1	ZINC000891764952	779318043	/nfs/dbraw/zinc/31/80/43/779318043.db2.gz	MPVJROYHZZUOOD-SQGPQFPESA-N	1	0	367.453	1.637	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1	ZINC000891767981	779325761	/nfs/dbraw/zinc/32/57/61/779325761.db2.gz	TYDDURJHKSNYHN-WBVHZDCISA-N	1	0	371.547	1.916	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3[NH2+]CCCC3(C)C)cc2C1=O	ZINC000430724192	779350714	/nfs/dbraw/zinc/35/07/14/779350714.db2.gz	QHEOFSNQZVUVIH-MRXNPFEDSA-N	1	0	355.438	1.977	20	30		FDEDRO
C=CCN(Cc1nc(C(C)(C)[NH3+])no1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000431073828	779929722	/nfs/dbraw/zinc/92/97/22/779929722.db2.gz	MXULZODLKGZHGX-ZDUSSCGKSA-N	1	0	368.445	1.988	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1)[NH+](C)C	ZINC000971848129	779962930	/nfs/dbraw/zinc/96/29/30/779962930.db2.gz	QAQZPYRCDLRGSS-XYPHTWIQSA-N	1	0	357.458	1.145	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]2O)CC1	ZINC001025485269	790777739	/nfs/dbraw/zinc/77/77/39/790777739.db2.gz	LLPYIAGOELOJRF-QZTJIDSGSA-N	1	0	368.437	1.382	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cn[nH]n2)[C@H](C[NH2+]Cc2ccc(C#N)cc2F)C1	ZINC001087184939	780364470	/nfs/dbraw/zinc/36/44/70/780364470.db2.gz	LIGWBIDDFWLWLE-DOMZBBRYSA-N	1	0	356.405	1.846	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cn[nH]n1	ZINC001087185023	780370902	/nfs/dbraw/zinc/37/09/02/780370902.db2.gz	PIJITRYIVCRJFM-CJNGLKHVSA-N	1	0	368.441	1.715	20	30		FDEDRO
[NH2+]=C(NCc1nc(-c2ccccc2)c[nH]1)N1CCN(c2ncccn2)CC1	ZINC000261990811	780402361	/nfs/dbraw/zinc/40/23/61/780402361.db2.gz	LSKMCDGWCOGUNU-UHFFFAOYSA-N	1	0	362.441	1.504	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)CN3CCc4sccc4C3)[C@H]2C1	ZINC001083282840	790820985	/nfs/dbraw/zinc/82/09/85/790820985.db2.gz	VYRLAGDVVVVLOQ-DLBZAZTESA-N	1	0	361.511	1.594	20	30		FDEDRO
CC1CC[NH+](CC(=O)N2CC[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@H]32)CC1	ZINC001022514986	780896700	/nfs/dbraw/zinc/89/67/00/780896700.db2.gz	TUYUPTRZBBTATB-FUHWJXTLSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1C	ZINC001104393273	780943345	/nfs/dbraw/zinc/94/33/45/780943345.db2.gz	MZUXQLJPUDCSGL-BZUAXINKSA-N	1	0	362.474	1.378	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2c[nH]c3ccccc32)C[C@H]1C	ZINC001104394368	780953975	/nfs/dbraw/zinc/95/39/75/780953975.db2.gz	UURACUZSGZOIDO-HZPDHXFCSA-N	1	0	366.465	1.605	20	30		FDEDRO
C=C(C)C[NH+]1CCC(N2C(=O)N[C@@H](CSCC(=O)OCC)C2=O)CC1	ZINC000924600786	790844326	/nfs/dbraw/zinc/84/43/26/790844326.db2.gz	TVQRHBAUQJHEPW-AWEZNQCLSA-N	1	0	369.487	1.244	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)C(=O)NC(N)=O)C1	ZINC001112509082	781039077	/nfs/dbraw/zinc/03/90/77/781039077.db2.gz	JMTUAZRHWVDERW-LXIYXOSZSA-N	1	0	350.463	1.000	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)CC(C)(F)F)[C@@H]3C2)CC1	ZINC001022616259	781581167	/nfs/dbraw/zinc/58/11/67/781581167.db2.gz	MPVDKBWJQREIIJ-JKSUJKDBSA-N	1	0	367.440	1.436	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1C#N	ZINC000472111194	781652546	/nfs/dbraw/zinc/65/25/46/781652546.db2.gz	UBVWNSJMPNUZMT-HOTGVXAUSA-N	1	0	371.489	1.059	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4CCCC[N@H+]4C)C[C@H]32)c1	ZINC001022635578	781692761	/nfs/dbraw/zinc/69/27/61/781692761.db2.gz	XAJLAHLFCYZMRZ-YTQUADARSA-N	1	0	366.465	1.220	20	30		FDEDRO
CN1CC[NH2+]C[C@@H]1CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000414836134	790905573	/nfs/dbraw/zinc/90/55/73/790905573.db2.gz	IDCJNMKGKRAFIP-CYBMUJFWSA-N	1	0	371.363	1.524	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CC4(F)F)[C@@H]3C2)CC1	ZINC000972049795	781805096	/nfs/dbraw/zinc/80/50/96/781805096.db2.gz	KGEBRQJJCVFATR-BZUAXINKSA-N	1	0	365.424	1.046	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000376998567	790930102	/nfs/dbraw/zinc/93/01/02/790930102.db2.gz	UGHKXEXFLMVERR-SFHVURJKSA-N	1	0	356.470	1.897	20	30		FDEDRO
C#CC[NH+]1CCC(c2nc(-c3cccc(S(=O)(=O)N(C)C)c3)no2)CC1	ZINC000277799112	783360839	/nfs/dbraw/zinc/36/08/39/783360839.db2.gz	GIHBDWBVJMBIHB-UHFFFAOYSA-N	1	0	374.466	1.800	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2n(n1)CCCO2	ZINC000431472952	783366313	/nfs/dbraw/zinc/36/63/13/783366313.db2.gz	SVXWODBJEKYJBP-UHFFFAOYSA-N	1	0	353.426	1.741	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)C1CC1)C2	ZINC001112513604	783443592	/nfs/dbraw/zinc/44/35/92/783443592.db2.gz	GNBRPDIHEWVNBC-KUDFPVQQSA-N	1	0	359.514	1.779	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cccc(C(N)=O)c2)C1	ZINC000972375065	783538717	/nfs/dbraw/zinc/53/87/17/783538717.db2.gz	YIKNVCSEXBOJOU-KSZLIROESA-N	1	0	357.454	1.409	20	30		FDEDRO
CON=Cc1ccc(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)cc1	ZINC000255659370	783721069	/nfs/dbraw/zinc/72/10/69/783721069.db2.gz	OTFZOLHBKNVISL-UHFFFAOYSA-N	1	0	367.453	1.744	20	30		FDEDRO
N#Cc1ccccc1N1CCC(NC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1	ZINC000892428938	783811093	/nfs/dbraw/zinc/81/10/93/783811093.db2.gz	MRLQTRVEXCJXFX-FUHWJXTLSA-N	1	0	353.470	1.920	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1Cc3ccccc31)C2	ZINC001112519784	783844974	/nfs/dbraw/zinc/84/49/74/783844974.db2.gz	ZNFZSCJJXJDNRY-CDXJDZJCSA-N	1	0	366.465	1.184	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CCc3ccco3)C[C@H]21	ZINC000972835009	783902569	/nfs/dbraw/zinc/90/25/69/783902569.db2.gz	KZKIVXSQVZDIBR-NZSAHSFTSA-N	1	0	369.465	1.369	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C3=C(C)OCCC3)C[C@H]21	ZINC000972835492	783904389	/nfs/dbraw/zinc/90/43/89/783904389.db2.gz	WLWICINGLJNVDD-NZSAHSFTSA-N	1	0	371.481	1.228	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N(CC)[C@H]2CC[N@H+](C)C2)cc1	ZINC000658364040	783966864	/nfs/dbraw/zinc/96/68/64/783966864.db2.gz	XWQKOXSHKIDTPS-INIZCTEOSA-N	1	0	373.457	1.485	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1	ZINC000658517078	784211301	/nfs/dbraw/zinc/21/13/01/784211301.db2.gz	MECSQLUUPMCUNE-SFHVURJKSA-N	1	0	365.518	1.666	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]2O)C1	ZINC001025545838	791014528	/nfs/dbraw/zinc/01/45/28/791014528.db2.gz	PTVBIHHKDJNQIF-QZTJIDSGSA-N	1	0	371.481	1.406	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C1	ZINC000658559114	784338498	/nfs/dbraw/zinc/33/84/98/784338498.db2.gz	LJMQAFWRJBAGON-INIZCTEOSA-N	1	0	351.491	1.370	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1c1ccccc1	ZINC001211631415	784800984	/nfs/dbraw/zinc/80/09/84/784800984.db2.gz	FMDWBYVRGYQYHZ-ZWKOTPCHSA-N	1	0	369.465	1.686	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccnc1OC)C2	ZINC001112522159	784994976	/nfs/dbraw/zinc/99/49/76/784994976.db2.gz	IIVNLXDPIOUIJL-JXFKEZNVSA-N	1	0	357.454	1.572	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1	ZINC000658748451	785029840	/nfs/dbraw/zinc/02/98/40/785029840.db2.gz	VUSWOBQIVOFHNH-MSOLQXFVSA-N	1	0	363.502	1.372	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1	ZINC001024534883	785064502	/nfs/dbraw/zinc/06/45/02/785064502.db2.gz	QEAWUHHJFROVHQ-IXDOHACOSA-N	1	0	363.502	1.151	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1	ZINC000892494817	785278837	/nfs/dbraw/zinc/27/88/37/785278837.db2.gz	ISWONYMMZYPJTC-LSDHHAIUSA-N	1	0	371.489	1.347	20	30		FDEDRO
CC1(C)C[NH2+]CC[C@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1	ZINC000892498157	785332068	/nfs/dbraw/zinc/33/20/68/785332068.db2.gz	FHTGIEHUWZSMBW-INIZCTEOSA-N	1	0	356.474	1.563	20	30		FDEDRO
N#CCc1cccc2c1CCN(C(=O)NC[C@H]1CC3(CO1)CC[NH2+]CC3)C2	ZINC000892759997	791110282	/nfs/dbraw/zinc/11/02/82/791110282.db2.gz	MGBXRTPZXQKDSH-GOSISDBHSA-N	1	0	368.481	1.979	20	30		FDEDRO
CN(CCc1cccc(C#N)c1)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2	ZINC000892760890	791114721	/nfs/dbraw/zinc/11/47/21/791114721.db2.gz	RQDMTZWHCIWTBR-GOSISDBHSA-N	1	0	356.470	1.901	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccnc3nc(C)nn32)C1	ZINC001111935835	785631372	/nfs/dbraw/zinc/63/13/72/785631372.db2.gz	WLQHBUMTNCWJLF-KXBFYZLASA-N	1	0	354.458	1.983	20	30		FDEDRO
N=c1cc(C[NH3+])ccn1-c1ccccc1COC(=O)ON1C(=O)CCC1=O	ZINC001167690121	785672123	/nfs/dbraw/zinc/67/21/23/785672123.db2.gz	OCZXWIJXYQJWQS-UHFFFAOYSA-N	1	0	370.365	1.133	20	30		FDEDRO
C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC001024701430	785780162	/nfs/dbraw/zinc/78/01/62/785780162.db2.gz	CJUQKGKPBHZHHO-CMKODMSKSA-N	1	0	368.481	1.595	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[C@H](C(=O)N4CCCC4)O3)[C@@H]2C1	ZINC000978706342	805679347	/nfs/dbraw/zinc/67/93/47/805679347.db2.gz	OJQQVRSLRHIIDK-IECFSIQFSA-N	1	0	361.486	1.027	20	30		FDEDRO
Cn1cc(N2CCC[C@H](N3CC[NH+](CC(C)(C)CCC#N)CC3)C2=O)cn1	ZINC000376164328	786559636	/nfs/dbraw/zinc/55/96/36/786559636.db2.gz	DOXCAVCFEQCHTG-SFHVURJKSA-N	1	0	372.517	1.863	20	30		FDEDRO
NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCC#Cc2cccc(F)c2)C1	ZINC000511419451	786667493	/nfs/dbraw/zinc/66/74/93/786667493.db2.gz	BKZHXSXXYDBUAW-MRXNPFEDSA-N	1	0	360.433	1.064	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)NCCC[NH+]1CCCCC1	ZINC000177811241	786726953	/nfs/dbraw/zinc/72/69/53/786726953.db2.gz	RATJTLHPXPHNJK-UHFFFAOYSA-N	1	0	362.405	1.659	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)CCCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1	ZINC001067535944	786938329	/nfs/dbraw/zinc/93/83/29/786938329.db2.gz	IBJSJWFWZCFYOW-CRAIPNDOSA-N	1	0	356.470	1.324	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H]1CNCc1cnsn1	ZINC001024967310	786997073	/nfs/dbraw/zinc/99/70/73/786997073.db2.gz	XJPYJMQLDPYYPP-OAGGEKHMSA-N	1	0	350.488	1.990	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1	ZINC000658902595	787142633	/nfs/dbraw/zinc/14/26/33/787142633.db2.gz	YSNQNAQWRCJWQX-QGZVFWFLSA-N	1	0	373.453	1.248	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000936114619	787276081	/nfs/dbraw/zinc/27/60/81/787276081.db2.gz	VWXZTYHUMZLXJZ-OIISXLGYSA-N	1	0	354.410	1.256	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC(=O)N(C)[C@@H]3c3cccnc3)[C@@H]2C1	ZINC000978825700	805800653	/nfs/dbraw/zinc/80/06/53/805800653.db2.gz	DSXWIPIHONZXPJ-KVIJGQROSA-N	1	0	368.481	1.471	20	30		FDEDRO
C[C@@H]1CN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1CC(C)(C)O	ZINC000249365894	787656517	/nfs/dbraw/zinc/65/65/17/787656517.db2.gz	MMQBXZFMKHIRNN-QAPCUYQASA-N	1	0	356.470	1.441	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNS(=O)(=O)CC)C1	ZINC001104553470	787761741	/nfs/dbraw/zinc/76/17/41/787761741.db2.gz	CNNHYSVGNKJGGU-IAGOWNOFSA-N	1	0	371.547	1.194	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CCC)OCC)C[C@H]1C	ZINC001104559379	787854263	/nfs/dbraw/zinc/85/42/63/787854263.db2.gz	PJNXETXYNCHIDG-BRWVUGGUSA-N	1	0	351.491	1.015	20	30		FDEDRO
C[N@@H+]1CCC[C@H](CNC(=O)NCCn2cnc(C#N)n2)[C@@H]1c1cccs1	ZINC000376511905	788139877	/nfs/dbraw/zinc/13/98/77/788139877.db2.gz	PHYKNSUQQUKZRB-CZUORRHYSA-N	1	0	373.486	1.594	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2(c3cccnc3)CC2)C[C@H]1C	ZINC001104573153	788179099	/nfs/dbraw/zinc/17/90/99/788179099.db2.gz	JVSAJNAFYLUOAS-IAGOWNOFSA-N	1	0	370.497	1.490	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(OC)c(F)c2)nn1	ZINC000659356440	788553181	/nfs/dbraw/zinc/55/31/81/788553181.db2.gz	BVPYAJXDHVSOMB-ZFWWWQNUSA-N	1	0	359.405	1.487	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CN(C(C)C)CCO2)C[C@H]1C	ZINC001104580799	788694836	/nfs/dbraw/zinc/69/48/36/788694836.db2.gz	IUKJOYHYFXRFFM-OIISXLGYSA-N	1	0	357.926	1.922	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)Cc2ccc(OC)cn2)C[C@H]1C	ZINC001104584104	788715728	/nfs/dbraw/zinc/71/57/28/788715728.db2.gz	SOSPFBRDIJEKNO-IAGOWNOFSA-N	1	0	359.470	1.357	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCN(CC(F)(F)F)C2)C[C@H]1C	ZINC001104590215	788769000	/nfs/dbraw/zinc/76/90/00/788769000.db2.gz	IQUNMXLXDMTATI-OAGGEKHMSA-N	1	0	359.436	1.968	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCc3nn[nH]c32)C[C@H]1C	ZINC001104594164	788782389	/nfs/dbraw/zinc/78/23/89/788782389.db2.gz	CCUNGQNEQFQMNG-OAGGEKHMSA-N	1	0	361.490	1.501	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1CC[NH2+]CC#Cc1ccccc1	ZINC001104594419	788784485	/nfs/dbraw/zinc/78/44/85/788784485.db2.gz	HYYGOVRXCQRCCO-SJLPKXTDSA-N	1	0	364.449	1.509	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2C)C[C@H]1c1ccccc1	ZINC001211644883	788805046	/nfs/dbraw/zinc/80/50/46/788805046.db2.gz	KMWCRNISVQYECQ-RBUKOAKNSA-N	1	0	352.438	1.566	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNS(C)(=O)=O)C1	ZINC001104631479	789059787	/nfs/dbraw/zinc/05/97/87/789059787.db2.gz	OUMYSRQUSZBNLU-INMHGKMJSA-N	1	0	359.536	1.212	20	30		FDEDRO
C=C(Br)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](COC)OC)C[C@H]1C	ZINC001104648839	789146018	/nfs/dbraw/zinc/14/60/18/789146018.db2.gz	RSSIFZJQPIZLKG-BNOWGMLFSA-N	1	0	363.296	1.631	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NCCC)C2)c1	ZINC001104659326	789181060	/nfs/dbraw/zinc/18/10/60/789181060.db2.gz	IDDHTOVNXGLRKH-JFIYKMOQSA-N	1	0	370.497	1.665	20	30		FDEDRO
C=CC[C@@H](CO)CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1	ZINC000659578309	789208929	/nfs/dbraw/zinc/20/89/29/789208929.db2.gz	BFEVFWKACHETAS-SUYBPPKGSA-N	1	0	353.413	1.894	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccn3nnnc3c2)C[C@H]1c1ccccc1	ZINC001211646693	789230628	/nfs/dbraw/zinc/23/06/28/789230628.db2.gz	GSMFZMGTBUYRFO-ZWKOTPCHSA-N	1	0	360.421	1.345	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(C)C)C1	ZINC001104704236	789553498	/nfs/dbraw/zinc/55/34/98/789553498.db2.gz	NRTOAHQWZXMDPN-VQHPVUNQSA-N	1	0	351.491	1.176	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(N(C)C)ccn2)C1	ZINC001112020731	789566703	/nfs/dbraw/zinc/56/67/03/789566703.db2.gz	XOCPNTUNWYSTSY-JXFKEZNVSA-N	1	0	358.486	1.935	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNC(=O)NCC#C[C@@H]2CCCCO2)CC1	ZINC000892883714	791565660	/nfs/dbraw/zinc/56/56/60/791565660.db2.gz	DFBRSWHTLMKTCW-KRWDZBQOSA-N	1	0	351.491	1.748	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C	ZINC001104746331	791656735	/nfs/dbraw/zinc/65/67/35/791656735.db2.gz	DYPALVKPSGYDND-BRWVUGGUSA-N	1	0	356.532	1.852	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CC23CCN(c2ccc(C#N)nn2)CC3)CC[N@@H+]1C	ZINC001058655734	791700670	/nfs/dbraw/zinc/70/06/70/791700670.db2.gz	IVDKITPTHAGOIA-BBWFWOEESA-N	1	0	368.485	1.554	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1	ZINC000415262561	791775470	/nfs/dbraw/zinc/77/54/70/791775470.db2.gz	MDMBXNQLVHXNHS-WBVHZDCISA-N	1	0	359.405	1.466	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NCC2([NH3+])CCCCC2)c1	ZINC000415293364	791861475	/nfs/dbraw/zinc/86/14/75/791861475.db2.gz	NNZYJLUZHSGELA-UHFFFAOYSA-N	1	0	366.368	1.876	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21	ZINC001025789813	792036471	/nfs/dbraw/zinc/03/64/71/792036471.db2.gz	KHTORNNWOUJIFX-ZMSHIADSSA-N	1	0	361.486	1.023	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](c2ccccn2)C2CCC2)CC1	ZINC000636676402	806131466	/nfs/dbraw/zinc/13/14/66/806131466.db2.gz	HAQYTWLUYYWJKT-GOSISDBHSA-N	1	0	356.470	1.806	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)c1	ZINC000415493077	792366046	/nfs/dbraw/zinc/36/60/46/792366046.db2.gz	CNJALSJVHJCMSX-UHFFFAOYSA-N	1	0	361.442	1.546	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1C(F)(F)F	ZINC000415587909	792608446	/nfs/dbraw/zinc/60/84/46/792608446.db2.gz	DBOHEBDBSRUEBM-MRXNPFEDSA-N	1	0	366.343	1.728	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)c(OC)c1	ZINC000377728917	792659858	/nfs/dbraw/zinc/65/98/58/792659858.db2.gz	WLHYOTCZNHLXFS-ZACQAIPSSA-N	1	0	360.454	1.231	20	30		FDEDRO
C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000415615255	792707830	/nfs/dbraw/zinc/70/78/30/792707830.db2.gz	CAIMRVUCICSHLY-JOYOIKCWSA-N	1	0	370.331	1.510	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)NCC#Cc2cccc(F)c2)CC1	ZINC000511532350	792782092	/nfs/dbraw/zinc/78/20/92/792782092.db2.gz	ORVMOPYVMCVIMX-KRWDZBQOSA-N	1	0	360.477	1.750	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)cc1C#N	ZINC000415680400	792793387	/nfs/dbraw/zinc/79/33/87/792793387.db2.gz	RBPQZICTLFIUJU-AWEZNQCLSA-N	1	0	358.442	1.871	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)cc1	ZINC000415678529	792803306	/nfs/dbraw/zinc/80/33/06/792803306.db2.gz	OQKLMVGZTBARTM-CQSZACIVSA-N	1	0	373.457	1.520	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1	ZINC000415716869	792864244	/nfs/dbraw/zinc/86/42/44/792864244.db2.gz	BVYVJNPXJGCJCR-IBGZPJMESA-N	1	0	356.426	1.498	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1	ZINC000415730063	792889651	/nfs/dbraw/zinc/88/96/51/792889651.db2.gz	SYYFLTQTOQXTEP-KRWDZBQOSA-N	1	0	356.470	1.250	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C)oc4C)[C@@H]3C2)C1=O	ZINC001075539535	792901404	/nfs/dbraw/zinc/90/14/04/792901404.db2.gz	NBEVITSUVWPDBT-RYQLBKOJSA-N	1	0	357.454	1.830	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCCC[C@H]1CCC[NH2+]1	ZINC000415809164	793034122	/nfs/dbraw/zinc/03/41/22/793034122.db2.gz	UOJZWGUEVXXOEZ-OAHLLOKOSA-N	1	0	358.442	1.932	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C[C@@H]1[NH3+]	ZINC000415832992	793086457	/nfs/dbraw/zinc/08/64/57/793086457.db2.gz	HJDPMMXBFFGBAF-CABZTGNLSA-N	1	0	370.331	1.243	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)cc1	ZINC000415830780	793103963	/nfs/dbraw/zinc/10/39/63/793103963.db2.gz	DXZTYEXSKZVBSX-MRXNPFEDSA-N	1	0	373.457	1.566	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C[C@H]1C[NH3+]	ZINC000415840260	793111671	/nfs/dbraw/zinc/11/16/71/793111671.db2.gz	FZMAERYOLIGQHZ-HUUCEWRRSA-N	1	0	358.442	1.751	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(n2cc(C[NH2+]CCCCC)nn2)C1	ZINC001105342721	806215216	/nfs/dbraw/zinc/21/52/16/806215216.db2.gz	SOEAYUBCQIWCLS-ROUUACIJSA-N	1	0	361.490	1.922	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)c1	ZINC000415858561	793218610	/nfs/dbraw/zinc/21/86/10/793218610.db2.gz	KZWNZQZSCWKLMY-UHFFFAOYSA-N	1	0	366.465	1.961	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)COc3ccc(F)c(F)c3)[C@H]2C1	ZINC001083290724	793455589	/nfs/dbraw/zinc/45/55/89/793455589.db2.gz	SGAGWKRBVUSLGC-DLBZAZTESA-N	1	0	350.365	1.279	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2csc(Cl)c2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104757876	793488844	/nfs/dbraw/zinc/48/88/44/793488844.db2.gz	QUGAFZSDYGLIPS-VXGBXAGGSA-N	1	0	368.890	1.729	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)Cn2nnnc2C(C)C)C[C@H]1C	ZINC001104771812	793569350	/nfs/dbraw/zinc/56/93/50/793569350.db2.gz	APIJHOGRLVKBBZ-TZMCWYRMSA-N	1	0	354.886	1.623	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C1	ZINC001104774193	793573343	/nfs/dbraw/zinc/57/33/43/793573343.db2.gz	BABJADGCJAOFAK-YRXWBPOGSA-N	1	0	368.518	1.441	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ncnn2C)C1	ZINC001104782824	793634160	/nfs/dbraw/zinc/63/41/60/793634160.db2.gz	VWMGWXSEKOGDKN-CBZIJGRNSA-N	1	0	361.490	1.371	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)Cc2ccco2)C[C@H]1C	ZINC001104782864	793634592	/nfs/dbraw/zinc/63/45/92/793634592.db2.gz	XWUYOWWRPPRGIM-BRWVUGGUSA-N	1	0	359.470	1.282	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1CC[NH2+]Cc1ccc(C#N)s1	ZINC001104791141	793688843	/nfs/dbraw/zinc/68/88/43/793688843.db2.gz	PEHAVMRBIROGSA-CHWSQXEVSA-N	1	0	358.471	1.636	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(-n3cnnc3)cc2)C[C@H]1C	ZINC001104791755	793692810	/nfs/dbraw/zinc/69/28/10/793692810.db2.gz	AQPMIRDEMKDWQM-SJLPKXTDSA-N	1	0	351.454	1.978	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4ccnn4)c3)[C@H]2C1	ZINC001083291915	793812029	/nfs/dbraw/zinc/81/20/29/793812029.db2.gz	FSTQCWHYMDLFLW-RBUKOAKNSA-N	1	0	367.453	1.759	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000378263401	793822189	/nfs/dbraw/zinc/82/21/89/793822189.db2.gz	VASGIDNCRKMTTO-NQYLQCIDSA-N	1	0	352.438	1.733	20	30		FDEDRO
CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)c2C1	ZINC000330190248	793943171	/nfs/dbraw/zinc/94/31/71/793943171.db2.gz	VZDQRVDXYFSKEV-JFIYKMOQSA-N	1	0	373.501	1.978	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH+]2CCC([C@]3(C)NC(=O)NC3=O)CC2)cc1	ZINC000378337855	793967748	/nfs/dbraw/zinc/96/77/48/793967748.db2.gz	BDOIYYMZPVLRNK-YJYMSZOUSA-N	1	0	356.426	1.788	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)c2cn(C[C@H]3CCOC3)nn2)C[C@H]1C	ZINC001104852195	794076502	/nfs/dbraw/zinc/07/65/02/794076502.db2.gz	LMRWHOPPGXURIB-BRWVUGGUSA-N	1	0	361.490	1.579	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)COCc2nncn2C)C[C@H]1C	ZINC001104856930	794085728	/nfs/dbraw/zinc/08/57/28/794085728.db2.gz	MDLGRJUYQNPQDH-TZMCWYRMSA-N	1	0	355.870	1.158	20	30		FDEDRO
N#Cc1ccc(OC2CCN(c3cc(-n4cccn4)nc(N)[nH+]3)CC2)cc1	ZINC000378415400	794099388	/nfs/dbraw/zinc/09/93/88/794099388.db2.gz	GOEZOMSCPSPGTO-UHFFFAOYSA-N	1	0	361.409	2.164	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)c2ccnc3nc(C)nn32)C[C@H]1C	ZINC001104902080	794308827	/nfs/dbraw/zinc/30/88/27/794308827.db2.gz	FHUIMJSBLWUAGF-BXUZGUMPSA-N	1	0	362.865	1.873	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](C)c3nnc(C)[nH]3)C2)cn1	ZINC001104927771	794436394	/nfs/dbraw/zinc/43/63/94/794436394.db2.gz	STBKRGSZQHGVPQ-CKEIUWERSA-N	1	0	366.469	1.938	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)CN2Cc3ccccc3C2=O)C[C@H]1C	ZINC001104927779	794436742	/nfs/dbraw/zinc/43/67/42/794436742.db2.gz	SXHPQMYLHGXEHI-IAGOWNOFSA-N	1	0	353.466	1.740	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1	ZINC000974125680	794483380	/nfs/dbraw/zinc/48/33/80/794483380.db2.gz	LJIRJTJEDUFATA-WKULXVSPSA-N	1	0	363.502	1.604	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C1	ZINC001104952246	794536847	/nfs/dbraw/zinc/53/68/47/794536847.db2.gz	MVTZCXLHLBYMGF-YLJYHZDGSA-N	1	0	358.482	1.294	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](OC)C2CCCC2)C[C@H]1C	ZINC001104958450	794583848	/nfs/dbraw/zinc/58/38/48/794583848.db2.gz	WNCOJGYPUQPQRA-SUMDDJOVSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000974173308	794609205	/nfs/dbraw/zinc/60/92/05/794609205.db2.gz	AOEWGPQTPNIHRV-ZXXIGWHRSA-N	1	0	363.502	1.461	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(F)cc2F)C[C@H]1C	ZINC001104969639	794640220	/nfs/dbraw/zinc/64/02/20/794640220.db2.gz	SJZKICASJQNZSY-ZIAGYGMSSA-N	1	0	365.424	1.955	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)c1	ZINC000974190165	794698475	/nfs/dbraw/zinc/69/84/75/794698475.db2.gz	CGZHIZSQZUDCFG-XWTMOSNGSA-N	1	0	354.454	1.170	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2(c3ccccc3)CC2)C[C@H]1C	ZINC001104981046	794723560	/nfs/dbraw/zinc/72/35/60/794723560.db2.gz	XXHGIAPQUIUKNM-QZTJIDSGSA-N	1	0	367.493	1.542	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CN2CCCCCC2=O)C[C@H]1C	ZINC001104988992	794749252	/nfs/dbraw/zinc/74/92/52/794749252.db2.gz	MJYCIMDCPRBWGZ-QZTJIDSGSA-N	1	0	365.518	1.666	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H](CN(C)c3cncc(C#N)n3)C2)CC[N@@H+]1C	ZINC001058708313	794760962	/nfs/dbraw/zinc/76/09/62/794760962.db2.gz	IBORPRAJGREUIQ-BFYDXBDKSA-N	1	0	356.474	1.363	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@H]1C	ZINC001104992497	794760981	/nfs/dbraw/zinc/76/09/81/794760981.db2.gz	YEBDLZJIZVVIGR-ZYHUDNBSSA-N	1	0	351.838	1.016	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)c2ccccc2-n2cnnn2)C[C@H]1C	ZINC001104996313	794795780	/nfs/dbraw/zinc/79/57/80/794795780.db2.gz	FHFVBLFTWAIAJY-HZPDHXFCSA-N	1	0	354.458	1.926	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccccc2-n2cnnn2)C[C@H]1C	ZINC001104996792	794800109	/nfs/dbraw/zinc/80/01/09/794800109.db2.gz	LEDVIZNPFMMRPC-HZPDHXFCSA-N	1	0	354.458	1.926	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C[C@H]1C	ZINC001105044692	795049981	/nfs/dbraw/zinc/04/99/81/795049981.db2.gz	YPCHPAFICAPSPE-ISARSNTHSA-N	1	0	367.534	1.814	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ncnn2CCF)C1	ZINC001105090030	795232998	/nfs/dbraw/zinc/23/29/98/795232998.db2.gz	FXBWEZAJQNWMOG-OWCLPIDISA-N	1	0	367.469	1.413	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccc(F)s2)C[C@H]1C	ZINC001105098691	795285964	/nfs/dbraw/zinc/28/59/64/795285964.db2.gz	OABDLNQWRNRZPI-MGPQQGTHSA-N	1	0	365.474	1.713	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cncn2)C1	ZINC001112086552	795459696	/nfs/dbraw/zinc/45/96/96/795459696.db2.gz	GUIFBAMVUZFTCC-ZIAGYGMSSA-N	1	0	357.380	1.451	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)CC1	ZINC000931042940	795482085	/nfs/dbraw/zinc/48/20/85/795482085.db2.gz	OUVWWZXCWFOVJN-UHFFFAOYSA-N	1	0	369.874	1.963	20	30		FDEDRO
CCCC[C@@H](C[NH3+])NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000418083370	795519701	/nfs/dbraw/zinc/51/97/01/795519701.db2.gz	ZTSZXWWKBGAGSO-IRXDYDNUSA-N	1	0	357.458	1.476	20	30		FDEDRO
C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3sccc3C)C2)nn1	ZINC001105240309	795522569	/nfs/dbraw/zinc/52/25/69/795522569.db2.gz	HGELGPOFKZOZMG-IAGOWNOFSA-N	1	0	369.494	1.948	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CCC([NH2+]Cc2ncnn2C)CC1	ZINC001026574345	795578113	/nfs/dbraw/zinc/57/81/13/795578113.db2.gz	PNGISNITQVUKAR-OBQMCRIKSA-N	1	0	361.490	1.703	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCOCCO)C1	ZINC001211655546	795692519	/nfs/dbraw/zinc/69/25/19/795692519.db2.gz	NKGZLSRGSFXJSE-VQTJNVASSA-N	1	0	358.482	1.773	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1C(F)(F)F	ZINC001112092611	795730713	/nfs/dbraw/zinc/73/07/13/795730713.db2.gz	GWJZUSXBWQAAGR-JHJVBQTASA-N	1	0	363.380	1.820	20	30		FDEDRO
C=CCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)nn1	ZINC001105285983	795801576	/nfs/dbraw/zinc/80/15/76/795801576.db2.gz	ZVFSTYOLUKZXTD-JCGIZDLHSA-N	1	0	359.474	1.532	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H](C[NH3+])C3CCCCC3)CC2)nc1	ZINC000418358944	795818028	/nfs/dbraw/zinc/81/80/28/795818028.db2.gz	IXORXHBJCZXYNQ-KRWDZBQOSA-N	1	0	356.474	1.692	20	30		FDEDRO
CCOC1CC(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC#CCOC)C2)C1	ZINC001112094945	795830682	/nfs/dbraw/zinc/83/06/82/795830682.db2.gz	LLJCLXCIPCZHLY-NEXFUWMNSA-N	1	0	362.392	1.430	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)N[C@H]3CCCC[C@H]3C[NH3+])CC2)cc1	ZINC000418418081	795895130	/nfs/dbraw/zinc/89/51/30/795895130.db2.gz	VWNBPICVESVRBG-OALUTQOASA-N	1	0	355.486	1.903	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])CC2)cc1	ZINC000418418084	795895359	/nfs/dbraw/zinc/89/53/59/795895359.db2.gz	VWNBPICVESVRBG-RTBURBONSA-N	1	0	355.486	1.903	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)C[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)cn1	ZINC000974578783	799837015	/nfs/dbraw/zinc/83/70/15/799837015.db2.gz	CDWSTTSJNUMMOH-KVSKMBFKSA-N	1	0	366.465	1.078	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@H](C4CC4)[NH+](C)C)C[C@H]32)nc1	ZINC000974680288	800061650	/nfs/dbraw/zinc/06/16/50/800061650.db2.gz	PHJXIWNEKYKDHW-QRQLOZEOSA-N	1	0	366.465	1.076	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)C[N@H+]4CC[C@@H](C)C4)C[C@H]32)cc1	ZINC000974707314	800143362	/nfs/dbraw/zinc/14/33/62/800143362.db2.gz	QHKUFQBOPWPJAJ-NSISKUIASA-N	1	0	365.477	1.683	20	30		FDEDRO
CCc1ccoc1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1	ZINC001112523750	800359798	/nfs/dbraw/zinc/35/97/98/800359798.db2.gz	NPCCPRHLIYABOL-KXBFYZLASA-N	1	0	358.442	1.314	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCCc1nc(C)no1	ZINC001027890754	806839098	/nfs/dbraw/zinc/83/90/98/806839098.db2.gz	HWHNTKBVLPTBSE-BBWFWOEESA-N	1	0	362.474	1.872	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccnc(N(C)C)c2)C1	ZINC001027075466	800889215	/nfs/dbraw/zinc/88/92/15/800889215.db2.gz	SRRBWQRATIKYBN-KURKYZTESA-N	1	0	358.486	1.677	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(C(N)=O)cc2)C1	ZINC001027075476	800889409	/nfs/dbraw/zinc/88/94/09/800889409.db2.gz	TYKOXZKWJBKIOF-NXHRZFHOSA-N	1	0	357.454	1.315	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnc(C(C)(C)C)o2)C1	ZINC001027076802	800892536	/nfs/dbraw/zinc/89/25/36/800892536.db2.gz	VAXRVDREWFDPEL-ZNMIVQPWSA-N	1	0	362.474	1.896	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nc(C3CC3)nn2C)C1	ZINC001027076817	800892780	/nfs/dbraw/zinc/89/27/80/800892780.db2.gz	VNGFBBNGXYAWEU-BMFZPTHFSA-N	1	0	359.474	1.222	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21	ZINC000975211337	801004207	/nfs/dbraw/zinc/00/42/07/801004207.db2.gz	JABGBJNYZQHEAE-CKEIUWERSA-N	1	0	355.442	1.044	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cc3n(n2)CCC3)C1	ZINC001027116500	801007836	/nfs/dbraw/zinc/00/78/36/801007836.db2.gz	CRTNZOPSSJWHDE-SNRMKQJTSA-N	1	0	358.486	1.749	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21	ZINC000975253581	801062634	/nfs/dbraw/zinc/06/26/34/801062634.db2.gz	HTVRYJXHKUVNLH-TVFCKZIOSA-N	1	0	373.497	1.265	20	30		FDEDRO
C=CC[C@]1(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)CCC[NH2+]1	ZINC000662646810	806923055	/nfs/dbraw/zinc/92/30/55/806923055.db2.gz	NKBIFNGCLRKSQS-DCXXXQMHSA-N	1	0	353.466	1.958	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@H]2C1	ZINC000975619999	801713182	/nfs/dbraw/zinc/71/31/82/801713182.db2.gz	ITBVSJAYKQKEGZ-XKQJLSEDSA-N	1	0	355.442	1.044	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H]3CCN(C(=O)[C@H]4CCC[N@H+]4C)C[C@@H]32)c1	ZINC000975622442	801777637	/nfs/dbraw/zinc/77/76/37/801777637.db2.gz	FOVFVINIDCIMJX-UHOSZYNNSA-N	1	0	366.465	1.220	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21	ZINC000975640319	801814875	/nfs/dbraw/zinc/81/48/75/801814875.db2.gz	ZBMFLKRDRUTNJD-SZMVWBNQSA-N	1	0	369.469	1.434	20	30		FDEDRO
C=CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CC1	ZINC000662669906	806943630	/nfs/dbraw/zinc/94/36/30/806943630.db2.gz	HCEQCLVLLMUEJL-GOSISDBHSA-N	1	0	370.497	1.125	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@H]3C2)C1	ZINC000975818649	802510208	/nfs/dbraw/zinc/51/02/08/802510208.db2.gz	IHFBHDVYNCAMID-VKJFTORMSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=CC[C@]1(C(=O)N[C@H](C)CN2CCN(c3ccccn3)CC2)CCC[NH2+]1	ZINC000662734673	802970133	/nfs/dbraw/zinc/97/01/33/802970133.db2.gz	RZWCXAWOLXNTRN-YLJYHZDGSA-N	1	0	357.502	1.407	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@](C)(C=C)CC)C[C@H]1c1ccccc1	ZINC001211666864	803373329	/nfs/dbraw/zinc/37/33/29/803373329.db2.gz	MAWARNRVNJKJQY-JQVVWYNYSA-N	1	0	367.493	1.922	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[NH+]3CCC2CC3)c1	ZINC000976474927	803429186	/nfs/dbraw/zinc/42/91/86/803429186.db2.gz	ORIYTLXADAVOOS-GVDBMIGSSA-N	1	0	369.469	1.385	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC000976538661	803489268	/nfs/dbraw/zinc/48/92/68/803489268.db2.gz	GUZZWSHIGMRVOT-NUJGCVRESA-N	1	0	371.485	1.918	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1	ZINC000423084211	814957347	/nfs/dbraw/zinc/95/73/47/814957347.db2.gz	HSENKJPOOFAADT-GOSISDBHSA-N	1	0	354.454	1.365	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1	ZINC000423214394	815004183	/nfs/dbraw/zinc/00/41/83/815004183.db2.gz	MHAZKMVCVDHTQK-RDJZCZTQSA-N	1	0	372.425	1.320	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]21	ZINC000977217577	804604634	/nfs/dbraw/zinc/60/46/34/804604634.db2.gz	PLGGCBMDLCTAOX-ZBRFXRBCSA-N	1	0	366.421	1.112	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1	ZINC000977293744	804704092	/nfs/dbraw/zinc/70/40/92/804704092.db2.gz	IOLPJCGKSXCFMO-VIGLNSERSA-N	1	0	366.465	1.064	20	30		FDEDRO
C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1	ZINC000423363512	815054761	/nfs/dbraw/zinc/05/47/61/815054761.db2.gz	JGNYQISIXVRSSK-IBGZPJMESA-N	1	0	370.497	1.097	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2CC)C[C@H]1c1ccccc1	ZINC001211678251	805312795	/nfs/dbraw/zinc/31/27/95/805312795.db2.gz	KVKOPLVMQCLHQB-OQIJWPOYSA-N	1	0	355.482	1.919	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])c1	ZINC000652378304	805373374	/nfs/dbraw/zinc/37/33/74/805373374.db2.gz	FHCYZQHLTGKERL-PBHICJAKSA-N	1	0	365.499	1.740	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CN(C)CCO2)C1	ZINC001087424047	805549568	/nfs/dbraw/zinc/54/95/68/805549568.db2.gz	GSCQPMIDEMUGTB-VAMGGRTRSA-N	1	0	357.498	1.867	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1	ZINC000980581543	807084679	/nfs/dbraw/zinc/08/46/79/807084679.db2.gz	UVFWUVLWVSRZDE-VQHPVUNQSA-N	1	0	363.502	1.463	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1	ZINC000423519742	815109744	/nfs/dbraw/zinc/10/97/44/815109744.db2.gz	DOZYFTYXXKEFNY-BHIYHBOVSA-N	1	0	368.481	1.872	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)cc1C(F)(F)F	ZINC000423563654	815126712	/nfs/dbraw/zinc/12/67/12/815126712.db2.gz	NSUSPRJSEDVLQJ-UHFFFAOYSA-N	1	0	366.343	1.870	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@@H]3CC3(C)C)C2)CC1	ZINC000981177101	807653173	/nfs/dbraw/zinc/65/31/73/807653173.db2.gz	AUDNZMLWMYGSAH-JQHSSLGASA-N	1	0	359.514	1.779	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)N(Cc2ccc(C#N)cc2)C2CC2)C[C@@]1(C)C[NH3+]	ZINC000423568949	815138078	/nfs/dbraw/zinc/13/80/78/815138078.db2.gz	LVMWRPXBAOQGET-JLTOFOAXSA-N	1	0	354.454	1.493	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)nc1	ZINC000981375660	807975692	/nfs/dbraw/zinc/97/56/92/807975692.db2.gz	GHDYYRJRRQWYTI-YESZJQIVSA-N	1	0	354.454	1.029	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000981466606	808053924	/nfs/dbraw/zinc/05/39/24/808053924.db2.gz	JCMBAURLQXZLJX-JSSFPYSZSA-N	1	0	371.485	1.631	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3nnnn3CC1)C2	ZINC001112533064	808089794	/nfs/dbraw/zinc/08/97/94/808089794.db2.gz	MFAHMOCKHLHOCQ-GJYPPUQNSA-N	1	0	358.490	1.420	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)n1	ZINC000279172078	808561200	/nfs/dbraw/zinc/56/12/00/808561200.db2.gz	FUWUUIYKAMCADT-IBGZPJMESA-N	1	0	374.533	1.320	20	30		FDEDRO
C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCO[C@H]3c3ccnn3CC)C2)C1	ZINC000981822711	808575309	/nfs/dbraw/zinc/57/53/09/808575309.db2.gz	RLHZOGAZHQIALZ-SJLPKXTDSA-N	1	0	356.470	1.538	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCN(C(=O)CC)C2)C[C@H]1c1ccccc1	ZINC001211702836	808823801	/nfs/dbraw/zinc/82/38/01/808823801.db2.gz	HABLHMHWRJXGMS-HSALFYBXSA-N	1	0	367.493	1.852	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1	ZINC000504423092	815243891	/nfs/dbraw/zinc/24/38/91/815243891.db2.gz	WYTLVJXUZMZQLZ-UHFFFAOYSA-N	1	0	372.513	1.840	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3cc(C)co3)C2)CC1	ZINC000981966060	808892729	/nfs/dbraw/zinc/89/27/29/808892729.db2.gz	NNVMMENXVCQYGE-FUHWJXTLSA-N	1	0	371.481	1.948	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](C[C@H](O)c2ccc(F)cc2)CC1	ZINC000981989943	808930843	/nfs/dbraw/zinc/93/08/43/808930843.db2.gz	KQTVIFMCCDYIQI-QYZOEREBSA-N	1	0	362.445	1.985	20	30		FDEDRO
C[C@H](CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[N@H+](C)C1CC1	ZINC000504450584	815249178	/nfs/dbraw/zinc/24/91/78/815249178.db2.gz	LMXXRRWUQPULCW-RDTXWAMCSA-N	1	0	369.469	1.836	20	30		FDEDRO
C[C@@H]([NH3+])[C@H](C)NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000418694554	809138887	/nfs/dbraw/zinc/13/88/87/809138887.db2.gz	IBLGKULQQVKMHC-OLZOCXBDSA-N	1	0	355.446	1.294	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CO[C@@H](C)c2nccn2C)C[C@H]1c1ccccc1	ZINC001211715902	809147374	/nfs/dbraw/zinc/14/73/74/809147374.db2.gz	WXTZUCUOJIWWCK-YTQUADARSA-N	1	0	366.465	1.715	20	30		FDEDRO
N#CCc1ccc(NC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1	ZINC000414765170	815265372	/nfs/dbraw/zinc/26/53/72/815265372.db2.gz	ZIMVDZYUMDPHAX-MRXNPFEDSA-N	1	0	355.442	1.428	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(-c4cnn(C)c4)no3)C[C@H]21	ZINC001075621221	809183597	/nfs/dbraw/zinc/18/35/97/809183597.db2.gz	SKCYBAGPISPAQN-GDZNZVCISA-N	1	0	354.414	1.267	20	30		FDEDRO
C[NH+]=C(NCc1ccc2c(c1)COC2)N[C@H]1CCc2nc(COC)nn2C1	ZINC000261657683	809231762	/nfs/dbraw/zinc/23/17/62/809231762.db2.gz	AIOIRUSXBZVUKU-INIZCTEOSA-N	1	0	370.457	1.135	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1c1ccccc1	ZINC001211720210	809258069	/nfs/dbraw/zinc/25/80/69/809258069.db2.gz	BWAKSZGAMVZKRB-PKOBYXMFSA-N	1	0	352.438	1.268	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1c1ccccc1	ZINC001211721033	809273787	/nfs/dbraw/zinc/27/37/87/809273787.db2.gz	XTEDSDJHUMOTFJ-BPQIPLTHSA-N	1	0	358.486	1.984	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1	ZINC000418922821	809318120	/nfs/dbraw/zinc/31/81/20/809318120.db2.gz	NCPBALWFIDHNMY-LJQANCHMSA-N	1	0	372.494	1.120	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CNC(=O)[C@@H](C)CC)C[C@H]1c1ccccc1	ZINC001211723983	809330388	/nfs/dbraw/zinc/33/03/88/809330388.db2.gz	FIBCXMAHKAOBQO-YTQUADARSA-N	1	0	355.482	1.756	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)CCOC)C[C@H]1c1ccccc1	ZINC001211725956	809386400	/nfs/dbraw/zinc/38/64/00/809386400.db2.gz	BKGQGORNKLQJQX-YZGWKJHDSA-N	1	0	358.482	1.893	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CN(CC)CCO2)C[C@H]1c1ccccc1	ZINC001211726330	809405353	/nfs/dbraw/zinc/40/53/53/809405353.db2.gz	WAFYXVNLKVLSHC-XUVXKRRUSA-N	1	0	355.482	1.315	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1	ZINC000419061441	809503856	/nfs/dbraw/zinc/50/38/56/809503856.db2.gz	UYFHIULYIOVKHF-NCXUSEDFSA-N	1	0	355.482	1.794	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC[NH2+]1	ZINC000419123242	809577316	/nfs/dbraw/zinc/57/73/16/809577316.db2.gz	XYSUADDTEIMSNY-WFASDCNBSA-N	1	0	367.371	1.430	20	30		FDEDRO
C[C@]1(C#N)CN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CCO1	ZINC000893739416	809691947	/nfs/dbraw/zinc/69/19/47/809691947.db2.gz	ALNGWBLQMQRCIY-BQFCYCMXSA-N	1	0	350.463	1.078	20	30		FDEDRO
O=C(NCC#C[C@@H]1CCCCO1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1	ZINC000893740604	809693485	/nfs/dbraw/zinc/69/34/85/809693485.db2.gz	JJTLVQFOMNZNIF-FHWLQOOXSA-N	1	0	363.502	1.626	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CC4CCOCC4)[C@@H]3C2)C1=O	ZINC001075633862	809847735	/nfs/dbraw/zinc/84/77/35/809847735.db2.gz	PWWNKWPIZMJZAQ-OKZBNKHCSA-N	1	0	361.486	1.123	20	30		FDEDRO
CC(C)[N@H+](C)CCCNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000473398952	809849636	/nfs/dbraw/zinc/84/96/36/809849636.db2.gz	MGRZSAAWGWBKEN-SFHVURJKSA-N	1	0	356.470	1.896	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)C[C@H]1c1ccccc1	ZINC001211743822	809956507	/nfs/dbraw/zinc/95/65/07/809956507.db2.gz	MKAXBVFAVXWMDG-OKZBNKHCSA-N	1	0	369.465	1.590	20	30		FDEDRO
C[NH+]=C(NCCc1cccc(Cl)c1)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261704402	810032826	/nfs/dbraw/zinc/03/28/26/810032826.db2.gz	JKSYVLAHIYRDLU-UHFFFAOYSA-N	1	0	374.876	1.540	20	30		FDEDRO
C=CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCC(=O)N2)C1	ZINC001087453893	810041001	/nfs/dbraw/zinc/04/10/01/810041001.db2.gz	QMBHSULZNIORCI-KZNAEPCWSA-N	1	0	359.445	1.955	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCNC(=O)[C@H]2c2cccc(C)c2)CC1	ZINC000664020335	810174508	/nfs/dbraw/zinc/17/45/08/810174508.db2.gz	QRXLOWNLYAQDNE-GOSISDBHSA-N	1	0	356.470	1.828	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C	ZINC000249167113	810229422	/nfs/dbraw/zinc/22/94/22/810229422.db2.gz	KJVSRVNYJLQDCQ-IIAWOOMASA-N	1	0	358.442	1.715	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@]1(C)C[N@H+](Cc1cccc(C#N)c1)C2	ZINC000982557630	810336285	/nfs/dbraw/zinc/33/62/85/810336285.db2.gz	SPAHDUZYGPEZEQ-OVQGTLEDSA-N	1	0	366.465	1.350	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2snnc2C)C1	ZINC001028549174	810616723	/nfs/dbraw/zinc/61/67/23/810616723.db2.gz	NHWAOCISPYEBIC-KFWWJZLASA-N	1	0	350.488	1.766	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2nnnn2C(C)C)C1	ZINC001028549679	810619382	/nfs/dbraw/zinc/61/93/82/810619382.db2.gz	UUXLGOPZKLUASM-XHSDSOJGSA-N	1	0	362.478	1.173	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)C1	ZINC001028546868	810633952	/nfs/dbraw/zinc/63/39/52/810633952.db2.gz	HNBQDLGFJNPPRH-ZTFGCOKTSA-N	1	0	354.454	1.411	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCCCC2)N[C@H](C)Cc1c(C)nn(C)c1C	ZINC000261780339	810854834	/nfs/dbraw/zinc/85/48/34/810854834.db2.gz	PDEQAQMSGCPZNI-CYBMUJFWSA-N	1	0	372.521	1.651	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](O)c4ccc(F)cc4)C[C@H]32)c1	ZINC001075658436	810907978	/nfs/dbraw/zinc/90/79/78/810907978.db2.gz	BTDVUKJEGPMZGJ-KFKAGJAMSA-N	1	0	368.412	1.905	20	30		FDEDRO
CSc1ncc(C#N)c(N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)n1	ZINC001167937563	811070691	/nfs/dbraw/zinc/07/06/91/811070691.db2.gz	DPKODBHYSJDCIZ-LBPRGKRZSA-N	1	0	351.476	1.743	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@H+](CCO)CC[C@@H]2c2ccc(F)cc2)c[nH]1	ZINC001087463496	811102763	/nfs/dbraw/zinc/10/27/63/811102763.db2.gz	MUNFPUPDRQJIHG-QZTJIDSGSA-N	1	0	356.401	1.606	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCOC[C@H]2CCCO2)C[C@H]1C(F)(F)F	ZINC001112126211	811112463	/nfs/dbraw/zinc/11/24/63/811112463.db2.gz	DPTRSKGXJOPSKW-MGPQQGTHSA-N	1	0	350.381	1.737	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1	ZINC000729335028	811152638	/nfs/dbraw/zinc/15/26/38/811152638.db2.gz	GMMJKWAENHVSQY-RTBURBONSA-N	1	0	374.506	1.548	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H](C)n2cncn2)C1	ZINC001087464171	811196859	/nfs/dbraw/zinc/19/68/59/811196859.db2.gz	XAMHJJPYHYVXGU-KFKAGJAMSA-N	1	0	369.444	1.976	20	30		FDEDRO
C[C@H](C[N@@H+]1C[C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@]2(C)C1)CS(C)(=O)=O	ZINC001101232301	811203787	/nfs/dbraw/zinc/20/37/87/811203787.db2.gz	PQIWGNSVRPYAQV-MDZRGWNJSA-N	1	0	368.543	1.497	20	30		FDEDRO
C[NH+]=C(NCc1cn2c(n1)CCCC2)N1CC[C@@H](C(=O)OC(C)(C)C)C1	ZINC000261612139	811285026	/nfs/dbraw/zinc/28/50/26/811285026.db2.gz	ADYDLQWVBMCYMP-CQSZACIVSA-N	1	0	361.490	1.958	20	30		FDEDRO
C[NH+]=C(NC[C@H](C)c1c(C)noc1C)N1CCO[C@@H](c2cnn(C)c2)C1	ZINC000261753270	811311285	/nfs/dbraw/zinc/31/12/85/811311285.db2.gz	MBLYRKHRRWSGLI-BLLLJJGKSA-N	1	0	360.462	1.777	20	30		FDEDRO
CC[NH+]=C(NCc1nnc2n1CCC2)N1CC[C@H](Oc2ccccn2)C1	ZINC000261945170	811350325	/nfs/dbraw/zinc/35/03/25/811350325.db2.gz	FSJKVONORLDUIF-AWEZNQCLSA-N	1	0	355.446	1.238	20	30		FDEDRO
C=CCNC(NCc1nnc(C)n1C)=[NH+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2	ZINC000261978968	811359650	/nfs/dbraw/zinc/35/96/50/811359650.db2.gz	OLHDIKOHYVIGKZ-UAGQMJEPSA-N	1	0	358.490	1.692	20	30		FDEDRO
C[NH+]=C(NCCn1cc([N+](=O)[O-])cn1)N1CC[C@H](C)[C@@H](n2ccnc2)C1	ZINC000262027177	811370035	/nfs/dbraw/zinc/37/00/35/811370035.db2.gz	ZZTLGUZMPLEUCA-ZFWWWQNUSA-N	1	0	360.422	1.146	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1	ZINC001087464944	811401706	/nfs/dbraw/zinc/40/17/06/811401706.db2.gz	NAPHGCHOIOYUJY-KBAYOESNSA-N	1	0	359.445	1.764	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCCCNC(N)=O)C[C@H]1C(F)(F)F	ZINC001112128678	811430357	/nfs/dbraw/zinc/43/03/57/811430357.db2.gz	WHHJVURTGZTVGU-VXGBXAGGSA-N	1	0	350.385	1.380	20	30		FDEDRO
C[NH+]=C(NCc1ccc(C(N)=O)o1)N1CC[C@H](c2ccc(OC)cc2)C1	ZINC000262328125	811442532	/nfs/dbraw/zinc/44/25/32/811442532.db2.gz	AIYXNLKCANMHLT-AWEZNQCLSA-N	1	0	356.426	1.952	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@@H]1CCOc2ccccc21)=[NH+]C1CCOCC1	ZINC000262339351	811445491	/nfs/dbraw/zinc/44/54/91/811445491.db2.gz	WTUWXKNYOQIMEL-MRXNPFEDSA-N	1	0	360.458	1.313	20	30		FDEDRO
C[C@@H]1C[C@@H]([NH+]=C(NCC(=O)N(C)C)N[C@@H]2CCc3ccccc3C2)CCO1	ZINC000262340104	811445633	/nfs/dbraw/zinc/44/56/33/811445633.db2.gz	WVHRQEPDGDDRBX-LZQZEXGQSA-N	1	0	372.513	1.735	20	30		FDEDRO
C[NH+]=C(NCc1cccc(-n2cncn2)c1)N[C@@H]1CCCn2nc(C)nc21	ZINC000262751334	811546268	/nfs/dbraw/zinc/54/62/68/811546268.db2.gz	BZZDLRILCLFYLQ-MRXNPFEDSA-N	1	0	365.445	1.367	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)NCC[N@H+]3CC=CCC3)C2=O)cc1	ZINC000280498303	811836404	/nfs/dbraw/zinc/83/64/04/811836404.db2.gz	FVHBYHOFJBPMFM-GOSISDBHSA-N	1	0	367.453	1.615	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CC2CCOCC2)C[C@H]1C	ZINC001104018308	811871557	/nfs/dbraw/zinc/87/15/57/811871557.db2.gz	OPVFZDLGKQFGBX-SOLBZPMBSA-N	1	0	363.502	1.015	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000280648818	811884522	/nfs/dbraw/zinc/88/45/22/811884522.db2.gz	ZXOWQWRTSWUNBJ-BGYRXZFFSA-N	1	0	365.481	1.706	20	30		FDEDRO
CC[NH2+]CC1CCN(C(=O)C(=O)N[C@@H](CCC#N)c2ccccc2)CC1	ZINC000419471444	811966060	/nfs/dbraw/zinc/96/60/60/811966060.db2.gz	HCSDXUXSJAOBBX-SFHVURJKSA-N	1	0	356.470	1.996	20	30		FDEDRO
CO[C@@H]1CCN(C(=O)C(=O)N[C@H](CCC#N)c2ccccc2)[C@@H](C[NH3+])C1	ZINC000419472003	811967214	/nfs/dbraw/zinc/96/72/14/811967214.db2.gz	INAYYIBMXAVISJ-BRWVUGGUSA-N	1	0	358.442	1.112	20	30		FDEDRO
CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](CCC#N)c2ccccc2)[C@@H](C[NH3+])C1	ZINC000419472005	811967335	/nfs/dbraw/zinc/96/73/35/811967335.db2.gz	INAYYIBMXAVISJ-ZACQAIPSSA-N	1	0	358.442	1.112	20	30		FDEDRO
N#Cc1ccccc1-c1ccc(CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)cc1	ZINC000419632161	812054007	/nfs/dbraw/zinc/05/40/07/812054007.db2.gz	FSNZNPUXBWGJEK-SFHVURJKSA-N	1	0	362.433	1.710	20	30		FDEDRO
C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1	ZINC000419656869	812062238	/nfs/dbraw/zinc/06/22/38/812062238.db2.gz	ZXEJMWVLZCLUGK-OAHLLOKOSA-N	1	0	364.449	1.813	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)c1ccc(F)c(F)c1	ZINC000419686160	812102262	/nfs/dbraw/zinc/10/22/62/812102262.db2.gz	YQWXOSDSRPCHPE-ZQIUZPCESA-N	1	0	363.408	1.766	20	30		FDEDRO
C=CCC[C@@H](NC(=O)C(=O)NCCCN1CC[NH2+]CC1)c1ccccc1	ZINC000419874960	812270355	/nfs/dbraw/zinc/27/03/55/812270355.db2.gz	UQPWCNYQWOLQRZ-GOSISDBHSA-N	1	0	358.486	1.222	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCC1=CC[NH2+]CC1	ZINC000420170087	813526250	/nfs/dbraw/zinc/52/62/50/813526250.db2.gz	WTASPFIVWASBPM-UHFFFAOYSA-N	1	0	354.454	1.723	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1	ZINC000420189801	813541274	/nfs/dbraw/zinc/54/12/74/813541274.db2.gz	OQFWWQLHVDWCPF-OWLYRPNTSA-N	1	0	354.454	1.528	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(O)cc1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1	ZINC000261844547	814218531	/nfs/dbraw/zinc/21/85/31/814218531.db2.gz	XDIMZYJKKODFSN-LJQANCHMSA-N	1	0	373.457	1.168	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@H](CO)C[C@H](C)C1)C(C)C	ZINC000421741371	814288588	/nfs/dbraw/zinc/28/85/88/814288588.db2.gz	OLWUMACPTPBKKR-RCCFBDPRSA-N	1	0	365.518	1.278	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@H](CO)[C@H]1C)C(C)C	ZINC000421742619	814288847	/nfs/dbraw/zinc/28/88/47/814288847.db2.gz	SNMBSWNIXOYWRB-KZNAEPCWSA-N	1	0	365.518	1.421	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N	ZINC000272611257	814768346	/nfs/dbraw/zinc/76/83/46/814768346.db2.gz	VMMGRTRTDIVGCY-AWEZNQCLSA-N	1	0	362.430	1.000	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21	ZINC000272667157	814772392	/nfs/dbraw/zinc/77/23/92/814772392.db2.gz	JPERKEXKSITWGN-IJEWVQPXSA-N	1	0	356.426	1.469	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)[C@H](OCC)C1	ZINC000983132938	814800881	/nfs/dbraw/zinc/80/08/81/814800881.db2.gz	OZMDXEKMBDIEJA-BRWVUGGUSA-N	1	0	365.518	1.663	20	30		FDEDRO
CCc1nc(C#N)cc(N[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)n1	ZINC001059096523	814809000	/nfs/dbraw/zinc/80/90/00/814809000.db2.gz	IRQSAUOGBVNXFR-CWRNSKLLSA-N	1	0	356.474	1.654	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)CN2CC[C@@]3(CNC(=O)C3)C2)cc1	ZINC000434758277	815765226	/nfs/dbraw/zinc/76/52/26/815765226.db2.gz	SHFBTVZPBIFZQX-HXUWFJFHSA-N	1	0	370.453	1.544	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1	ZINC001087466063	815898818	/nfs/dbraw/zinc/89/88/18/815898818.db2.gz	XMZHIMAESFYJDH-KBAYOESNSA-N	1	0	359.445	1.812	20	30		FDEDRO
C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)C2)nn1	ZINC001105378968	815903891	/nfs/dbraw/zinc/90/38/91/815903891.db2.gz	MWZYKVAOLMFSRE-RBUKOAKNSA-N	1	0	367.428	1.717	20	30		FDEDRO
C#CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CN2CCCCC2=O)C1	ZINC001087466081	815910142	/nfs/dbraw/zinc/91/01/42/815910142.db2.gz	YWBMQHGWWLYFOI-RTBURBONSA-N	1	0	371.456	1.746	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1	ZINC000435511662	816063699	/nfs/dbraw/zinc/06/36/99/816063699.db2.gz	PIBXWVNIXKDWNF-INIZCTEOSA-N	1	0	357.458	1.989	20	30		FDEDRO
COc1ccc(-c2cc(NC(=O)[C@@H]([NH3+])CCCC#N)n(CCO)n2)cc1	ZINC000515058628	816086860	/nfs/dbraw/zinc/08/68/60/816086860.db2.gz	YDOMRHROFOOFSM-HNNXBMFYSA-N	1	0	357.414	1.511	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)Cc1ccccc1	ZINC000435639252	816117000	/nfs/dbraw/zinc/11/70/00/816117000.db2.gz	UAWKLEOPAXPADF-KRWDZBQOSA-N	1	0	368.412	1.925	20	30		FDEDRO
C=CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001028856507	816242914	/nfs/dbraw/zinc/24/29/14/816242914.db2.gz	IOTOPBFABYQHBM-HHXXYDBFSA-N	1	0	356.470	1.615	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCc2cnn(CC)c2)C1	ZINC001028861278	816293263	/nfs/dbraw/zinc/29/32/63/816293263.db2.gz	PFQGWUJABVENLX-NEWSRXKRSA-N	1	0	360.502	1.865	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)CC4OCCCO4)[C@@H]3C2)cc1	ZINC001075724816	816381412	/nfs/dbraw/zinc/38/14/12/816381412.db2.gz	CLXZKEJSGARDCY-ZWKOTPCHSA-N	1	0	355.438	1.744	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)CC[NH+](C(C)C)C(C)C)CC1	ZINC000505851386	816601900	/nfs/dbraw/zinc/60/19/00/816601900.db2.gz	MPWBAILSCWNYSH-IBGZPJMESA-N	1	0	365.566	1.729	20	30		FDEDRO
C=CCn1nnnc1SCC(=O)N1CCN([C@@H](C)c2ccccc2)CC1	ZINC000505853754	816617285	/nfs/dbraw/zinc/61/72/85/816617285.db2.gz	TUQGZKWHSYMKBQ-HNNXBMFYSA-N	1	0	372.498	1.857	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)Cc2cncc(C)c2)C[C@H]1C(F)(F)F	ZINC001112137755	816665579	/nfs/dbraw/zinc/66/55/79/816665579.db2.gz	CFJQDPANYIJOFT-HZPDHXFCSA-N	1	0	369.387	1.561	20	30		FDEDRO
N#Cc1cc(CN2C[C@@H]3CCN(C(=O)CCn4ccnn4)[C@@H]3C2)ccc1F	ZINC001075732204	816815883	/nfs/dbraw/zinc/81/58/83/816815883.db2.gz	JKVNZTPDOMVJGW-MAUKXSAKSA-N	1	0	368.416	1.412	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]CCCCN3C(=O)c4ccccc4C3=O)cnc12	ZINC000516570847	816917154	/nfs/dbraw/zinc/91/71/54/816917154.db2.gz	HTNPPVAOXBRVJF-UHFFFAOYSA-N	1	0	374.404	1.767	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCc2ccc(CC#N)cc2)C1	ZINC000516866408	817070305	/nfs/dbraw/zinc/07/03/05/817070305.db2.gz	VQDMZBRLRFFSPK-ZWKOTPCHSA-N	1	0	354.454	1.312	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1	ZINC000425860533	817237138	/nfs/dbraw/zinc/23/71/38/817237138.db2.gz	TZLQPYLPBNLZMA-VJANTYMQSA-N	1	0	364.534	1.778	20	30		FDEDRO
C=CCn1cc(CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1	ZINC000425874105	817264989	/nfs/dbraw/zinc/26/49/89/817264989.db2.gz	LDCWMUKOBMMVAD-GOSISDBHSA-N	1	0	354.458	1.880	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000425872566	817265320	/nfs/dbraw/zinc/26/53/20/817265320.db2.gz	OMNKNOLOBYULBZ-FHLIZLRMSA-N	1	0	354.454	1.821	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1	ZINC000425877483	817282245	/nfs/dbraw/zinc/28/22/45/817282245.db2.gz	WSHCALYRXPCYRP-XSLAGTTESA-N	1	0	365.518	1.568	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1	ZINC000425882845	817300528	/nfs/dbraw/zinc/30/05/28/817300528.db2.gz	MNHKUQDIOVNDQA-LULLPPNCSA-N	1	0	371.481	1.645	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccoc4CC)[C@@H]3C2)C1=O	ZINC001075747969	817357723	/nfs/dbraw/zinc/35/77/23/817357723.db2.gz	JNQKNHRUAFDQRK-BHYGNILZSA-N	1	0	357.454	1.775	20	30		FDEDRO
N#Cc1ccccc1OC1CCC([NH2+]C[C@@H](O)CN2CCOCC2)CC1	ZINC000517557113	817485753	/nfs/dbraw/zinc/48/57/53/817485753.db2.gz	YCMOLYDSHOTMJY-JLAWEPINSA-N	1	0	359.470	1.531	20	30		FDEDRO
Cc1cc(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)nn1-c1cccc(C#N)c1	ZINC000506345190	817693311	/nfs/dbraw/zinc/69/33/11/817693311.db2.gz	IOPDJNLKAZPWRA-OAHLLOKOSA-N	1	0	366.469	1.418	20	30		FDEDRO
C[NH+]=C(NCc1cccnc1-n1ccnc1C)N1CC[C@]2(CCOC2)C1	ZINC000261973045	817878165	/nfs/dbraw/zinc/87/81/65/817878165.db2.gz	NFFUWALYJJASJO-IBGZPJMESA-N	1	0	354.458	1.764	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(CC#N)CC[C@@H]2c2ccc(F)cc2)C1	ZINC001087467928	817936124	/nfs/dbraw/zinc/93/61/24/817936124.db2.gz	XWJOHFAIMZPWOB-ATZDWAIDSA-N	1	0	358.461	1.965	20	30		FDEDRO
Cc1nnc(CNC(N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)=[NH+]C2CC2)n1C	ZINC000261989421	817952615	/nfs/dbraw/zinc/95/26/15/817952615.db2.gz	QWMSNXVFERZIBF-USXIJHARSA-N	1	0	358.490	1.669	20	30		FDEDRO
COc1ccccc1C1(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)CC1	ZINC000261991519	817961638	/nfs/dbraw/zinc/96/16/38/817961638.db2.gz	MDKXQQGFTSOVBB-UHFFFAOYSA-N	1	0	366.469	1.654	20	30		FDEDRO
CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000473628224	818051016	/nfs/dbraw/zinc/05/10/16/818051016.db2.gz	IRVZUZIURTUMCB-SFHVURJKSA-N	1	0	354.454	1.603	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C[C@H]2CCNC2=O)C1	ZINC001087474587	818267798	/nfs/dbraw/zinc/26/77/98/818267798.db2.gz	NXGLKCCFBIRRIU-NEWSRXKRSA-N	1	0	371.481	1.682	20	30		FDEDRO
C=CCOc1ccc(CNC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1	ZINC000664869291	818767441	/nfs/dbraw/zinc/76/74/41/818767441.db2.gz	SHGVIYFYKRATPZ-GOSISDBHSA-N	1	0	359.470	1.992	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C#CC2CC2)[C@H](CNC(=O)[C@H]2CCc3nccn3C2)C1	ZINC000983789593	819521689	/nfs/dbraw/zinc/52/16/89/819521689.db2.gz	FNXBBJXJCGGXJT-NJAFHUGGSA-N	1	0	368.481	1.602	20	30		FDEDRO
O=C(NC[C@@H]1CCCn2ccnc21)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000328669595	819526854	/nfs/dbraw/zinc/52/68/54/819526854.db2.gz	MEUSWOPJQUBXFM-IRXDYDNUSA-N	1	0	361.490	1.719	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H]2CCC(=O)NC23CCC3)CC1	ZINC000328692630	819535767	/nfs/dbraw/zinc/53/57/67/819535767.db2.gz	JGLANPLBUDJQCY-JKSUJKDBSA-N	1	0	361.490	1.310	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)C1	ZINC000328762132	819546280	/nfs/dbraw/zinc/54/62/80/819546280.db2.gz	YOKRFJQKPLWPET-IRXDYDNUSA-N	1	0	374.485	1.654	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)C1	ZINC000328783918	819555918	/nfs/dbraw/zinc/55/59/18/819555918.db2.gz	NRTUMOQPZVBKIZ-OALUTQOASA-N	1	0	360.502	1.875	20	30		FDEDRO
Cn1nccc1[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC(=O)N1C	ZINC000328798224	819558521	/nfs/dbraw/zinc/55/85/21/819558521.db2.gz	FWPRGHDNQSGGQN-XUWXXGDYSA-N	1	0	359.474	1.913	20	30		FDEDRO
C[C@H]1CN(CC(=O)Nc2ccc3c(c2)OCO3)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000328949274	819586771	/nfs/dbraw/zinc/58/67/71/819586771.db2.gz	NAIJIGAWTRHPSC-RDJZCZTQSA-N	1	0	374.485	1.961	20	30		FDEDRO
Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CCC(NC(=O)C2CC2)CC1	ZINC000328973799	819603188	/nfs/dbraw/zinc/60/31/88/819603188.db2.gz	AUBWGIQKWAMOHN-UHFFFAOYSA-N	1	0	361.490	1.896	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N(C)C[C@@H]1CCN1C(=O)OC(C)(C)C	ZINC000895056498	819705281	/nfs/dbraw/zinc/70/52/81/819705281.db2.gz	MRMNWZVAUZPCOP-HNNXBMFYSA-N	1	0	352.479	1.592	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC000983827370	819721041	/nfs/dbraw/zinc/72/10/41/819721041.db2.gz	QDDCENUAORSOGE-KJWYOANISA-N	1	0	371.485	1.583	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1	ZINC000459051604	819903687	/nfs/dbraw/zinc/90/36/87/819903687.db2.gz	YAWJJYLNJPMBRP-OKYOBFRVSA-N	1	0	364.534	1.920	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3cc(C)on3)[C@H]2CC)C1=O	ZINC001087524139	820418341	/nfs/dbraw/zinc/41/83/41/820418341.db2.gz	DHYBWMWGKHHNGC-BBWFWOEESA-N	1	0	360.458	1.282	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)c2ccc(C#N)[nH]2)C1	ZINC000984074838	820725553	/nfs/dbraw/zinc/72/55/53/820725553.db2.gz	BEPJXEHABWIIQA-VYDXJSESSA-N	1	0	371.485	1.585	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)c2ccc(C#N)[nH]2)C1	ZINC000984074835	820725572	/nfs/dbraw/zinc/72/55/72/820725572.db2.gz	BEPJXEHABWIIQA-INMHGKMJSA-N	1	0	371.485	1.585	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)n1cnc(C#N)n1	ZINC000467429639	820772591	/nfs/dbraw/zinc/77/25/91/820772591.db2.gz	PMVVFIAZBDHHDT-CQSZACIVSA-N	1	0	368.441	1.554	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1	ZINC000442156483	821077636	/nfs/dbraw/zinc/07/76/36/821077636.db2.gz	AMRPUHOCEWORNA-BBRMVZONSA-N	1	0	373.457	1.532	20	30		FDEDRO
C=CCN(C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)C1CC1	ZINC000442417999	821189316	/nfs/dbraw/zinc/18/93/16/821189316.db2.gz	XOZXIZJOXUAKKN-UHFFFAOYSA-N	1	0	358.442	1.692	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1CC(=O)N1CCCC[C@H]1C	ZINC001087545990	821252248	/nfs/dbraw/zinc/25/22/48/821252248.db2.gz	LHYDESFTVBFGON-UWWQBHOKSA-N	1	0	371.485	1.870	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cnn(C)c2N)CCN1Cc1ccc(F)c(C#N)c1	ZINC001087550851	821360303	/nfs/dbraw/zinc/36/03/03/821360303.db2.gz	WUKHUJIYTFWKHF-DLBZAZTESA-N	1	0	370.432	1.796	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C	ZINC000521930752	821399707	/nfs/dbraw/zinc/39/97/07/821399707.db2.gz	MIPLZDUFONBTGW-ZFWWWQNUSA-N	1	0	356.426	1.591	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C	ZINC000521930751	821399890	/nfs/dbraw/zinc/39/98/90/821399890.db2.gz	MIPLZDUFONBTGW-UKRRQHHQSA-N	1	0	356.426	1.591	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C	ZINC000521930749	821400280	/nfs/dbraw/zinc/40/02/80/821400280.db2.gz	MIPLZDUFONBTGW-DZGCQCFKSA-N	1	0	356.426	1.591	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H](C)[C@H](C(=O)N3CCOCC3)C2)cc1	ZINC000367033259	821412552	/nfs/dbraw/zinc/41/25/52/821412552.db2.gz	KDHBFDZPUQOYPL-GPMSIDNRSA-N	1	0	357.454	1.904	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CCN1Cc1cc(C#N)ccc1F	ZINC001087560839	821482461	/nfs/dbraw/zinc/48/24/61/821482461.db2.gz	QIAFGHHZMYIYMS-ARFHVFGLSA-N	1	0	360.389	1.275	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCC(=O)NC2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087598931	821672364	/nfs/dbraw/zinc/67/23/64/821672364.db2.gz	GBKXCAMBGMWEAF-YTQUADARSA-N	1	0	368.481	1.944	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCNC(=O)C2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087621679	821744875	/nfs/dbraw/zinc/74/48/75/821744875.db2.gz	FFQMZLDUOMXGMX-UEXGIBASSA-N	1	0	368.481	1.944	20	30		FDEDRO
COC(=O)C[C@@](C)([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccccn1	ZINC000429675247	821837237	/nfs/dbraw/zinc/83/72/37/821837237.db2.gz	WRHOGFKGBLPASG-OXQOHEQNSA-N	1	0	369.421	1.761	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@]2(C)CNC(=O)C2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087668752	821970038	/nfs/dbraw/zinc/97/00/38/821970038.db2.gz	INMWEUFLFQJTEV-WAOWUJCRSA-N	1	0	353.466	1.533	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087687186	822040426	/nfs/dbraw/zinc/04/04/26/822040426.db2.gz	QTJQLGKXXOHVRJ-SOUVJXGZSA-N	1	0	361.471	1.112	20	30		FDEDRO
COC(=O)COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)cc1	ZINC000469787646	822407788	/nfs/dbraw/zinc/40/77/88/822407788.db2.gz	QSQARIKFNZYFHC-KGLIPLIRSA-N	1	0	359.426	1.840	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(=O)n(C)n2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087819777	822498585	/nfs/dbraw/zinc/49/85/85/822498585.db2.gz	REPRYGHITLFQCO-FUHWJXTLSA-N	1	0	365.437	1.435	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCc4ccc(F)cc43)C[C@@H]2O)c[nH]1	ZINC001083417964	822529107	/nfs/dbraw/zinc/52/91/07/822529107.db2.gz	LPHGGDWFZAZMGY-QYZOEREBSA-N	1	0	368.412	1.878	20	30		FDEDRO
C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCCCC[C@@H](NCC#N)C2)CC1	ZINC001088316046	828465143	/nfs/dbraw/zinc/46/51/43/828465143.db2.gz	OVZYEFBHLGCTPK-QRVBRYPASA-N	1	0	362.518	1.618	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cccs4)C[C@@H]3C2)C1=O	ZINC001087872502	822663871	/nfs/dbraw/zinc/66/38/71/822663871.db2.gz	IDYWZHQMWGKZCQ-OWCLPIDISA-N	1	0	359.495	1.929	20	30		FDEDRO
N#C[C@H](c1ccccc1)N1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1	ZINC000895600579	822664657	/nfs/dbraw/zinc/66/46/57/822664657.db2.gz	ZMIJMKPGDGLTLO-HXUWFJFHSA-N	1	0	368.481	1.506	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)cc1	ZINC000474260433	822670921	/nfs/dbraw/zinc/67/09/21/822670921.db2.gz	UAPIUNLYEWXKKR-SFHVURJKSA-N	1	0	370.453	1.001	20	30		FDEDRO
C#C[C@H](NC(=O)NCC[NH+]1CCC(O)CC1)c1ccc(Cl)cc1F	ZINC000895691827	822700213	/nfs/dbraw/zinc/70/02/13/822700213.db2.gz	IYYAVZCUDYVKRV-INIZCTEOSA-N	1	0	353.825	1.909	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCc4ccco4)C[C@@H]3C2)C1=O	ZINC001087882401	822704636	/nfs/dbraw/zinc/70/46/36/822704636.db2.gz	QTAHXKDYMLQAEZ-ZIFCJYIRSA-N	1	0	371.481	1.779	20	30		FDEDRO
CCO/C=C\[C@@](O)(C[NH2+]Cc1cnc2c(C#N)cnn2c1)C(F)(F)F	ZINC000895708231	822707457	/nfs/dbraw/zinc/70/74/57/822707457.db2.gz	PCYCIUBYUQEDKJ-VQTKUKTRSA-N	1	0	355.320	1.534	20	30		FDEDRO
N#Cc1ccccc1N1CCCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1	ZINC000895733461	822727382	/nfs/dbraw/zinc/72/73/82/822727382.db2.gz	WKKSOJQAHUWSTP-SFHVURJKSA-N	1	0	354.454	1.318	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3ccc[nH]3)[C@H]2CC)CC1	ZINC000984543723	822744667	/nfs/dbraw/zinc/74/46/67/822744667.db2.gz	BNBAQWKAGYTDBK-FUHWJXTLSA-N	1	0	356.470	1.469	20	30		FDEDRO
C[N@@H+](Cc1ccc(C#N)c(F)c1)C[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001029840509	828488402	/nfs/dbraw/zinc/48/84/02/828488402.db2.gz	AHEURWWZBHZSMK-BMFZPTHFSA-N	1	0	358.417	1.099	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCc4ccccc43)CC[C@@H]2C1	ZINC001087909246	823754060	/nfs/dbraw/zinc/75/40/60/823754060.db2.gz	FSODGSBRHQCXGD-JQHSSLGASA-N	1	0	366.465	1.516	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)C3CCCCC3)CC[C@@H]2C1	ZINC001087909160	823754330	/nfs/dbraw/zinc/75/43/30/823754330.db2.gz	ATUGFGNUKJDZIO-ZACQAIPSSA-N	1	0	360.502	1.717	20	30		FDEDRO
O=C(Cc1cc[nH]n1)N1C[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)CC[C@@H]2C1	ZINC001087917095	823828181	/nfs/dbraw/zinc/82/81/81/823828181.db2.gz	CNCFNIZYUDMHAU-MSOLQXFVSA-N	1	0	366.440	1.923	20	30		FDEDRO
CN1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)CC[C@@H]3C2)C1	ZINC001087920490	823875044	/nfs/dbraw/zinc/87/50/44/823875044.db2.gz	QWJILVWAJZEIIG-AABGKKOBSA-N	1	0	368.481	1.169	20	30		FDEDRO
O=C([C@H]1CCNC(=O)C1)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001087932839	823961103	/nfs/dbraw/zinc/96/11/03/823961103.db2.gz	OZRXQAXHYWHOGM-ZCNNSNEGSA-N	1	0	365.477	1.345	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC#N)C(F)(F)F	ZINC000928799786	828593547	/nfs/dbraw/zinc/59/35/47/828593547.db2.gz	GFTZQFDOGWCFQK-MNOVXSKESA-N	1	0	366.384	1.792	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(C(=O)NC3CCN(c4ccccc4C#N)CC3)[C@@H]2C1	ZINC000896102499	824030899	/nfs/dbraw/zinc/03/08/99/824030899.db2.gz	CGYSPHDHHUWFPL-VQIMIIECSA-N	1	0	353.470	1.873	20	30		FDEDRO
CC(C)N1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]3C2)C1=O	ZINC001087939993	824034169	/nfs/dbraw/zinc/03/41/69/824034169.db2.gz	FRZWARZDPSAEPH-HFTRVMKXSA-N	1	0	369.469	1.290	20	30		FDEDRO
CN1CCOC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)CC[C@@H]2C1	ZINC001087940581	824037034	/nfs/dbraw/zinc/03/70/34/824037034.db2.gz	OMNVQMNJHJGSSS-AABGKKOBSA-N	1	0	368.481	1.169	20	30		FDEDRO
CCn1ncc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4)CC[C@@H]3C2)n1	ZINC001087957187	824153736	/nfs/dbraw/zinc/15/37/36/824153736.db2.gz	DINXJVBMQXXDFS-MSOLQXFVSA-N	1	0	364.453	1.764	20	30		FDEDRO
CC(C)(C)N1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)C1=O	ZINC001087961807	824182703	/nfs/dbraw/zinc/18/27/03/824182703.db2.gz	KMQXXLZHGJJILG-FGTMMUONSA-N	1	0	357.498	1.580	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)CO[C@H]3CCOC3)C[C@@H]2C1	ZINC001087964723	824218114	/nfs/dbraw/zinc/21/81/14/824218114.db2.gz	XXFFFICXHMAREQ-AABGKKOBSA-N	1	0	369.465	1.644	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccn(C4CCOCC4)n3)C[C@@H]2C1	ZINC001087966694	824246476	/nfs/dbraw/zinc/24/64/76/824246476.db2.gz	PXCQRYZRNMFIHU-SJORKVTESA-N	1	0	356.470	1.652	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cc([C@@H]4CCCN4C)[nH]n3)C[C@@H]2C1	ZINC001087973000	824304639	/nfs/dbraw/zinc/30/46/39/824304639.db2.gz	FQKNGTCBFMXWHF-GJYPPUQNSA-N	1	0	355.486	1.594	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN(C(=O)C4CC4)C3)C[C@@H]2C1	ZINC001087977481	824327029	/nfs/dbraw/zinc/32/70/29/824327029.db2.gz	IYZWXXMGXJVFAF-QYZOEREBSA-N	1	0	359.514	1.991	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccc(C(N)=O)c2)C1	ZINC001029846161	828639868	/nfs/dbraw/zinc/63/98/68/828639868.db2.gz	AMPMRHLYQAVMNF-UHOSZYNNSA-N	1	0	371.481	1.657	20	30		FDEDRO
C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3cnn(C)c3C#N)cc2)C[C@H](C)O1	ZINC000474773891	824411063	/nfs/dbraw/zinc/41/10/63/824411063.db2.gz	JPUGCJPWNYUSLR-GJZGRUSLSA-N	1	0	367.453	1.831	20	30		FDEDRO
CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)C[C@H]1C	ZINC000329023496	824535638	/nfs/dbraw/zinc/53/56/38/824535638.db2.gz	ITFNZJVQVCKTAO-QLFBSQMISA-N	1	0	362.478	1.244	20	30		FDEDRO
CC(C)N1C(=O)N[C@@H]2CN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC[C@@H]21	ZINC000329073872	824558573	/nfs/dbraw/zinc/55/85/73/824558573.db2.gz	PAAKKGCBHOCCTE-VEDBGLOESA-N	1	0	363.506	1.997	20	30		FDEDRO
CC(C)n1cc([C@@H]2CN(C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)C[C@H]2CO)cn1	ZINC000329074537	824559421	/nfs/dbraw/zinc/55/94/21/824559421.db2.gz	PFYZKHBMGPBFOM-SPUZQDLCSA-N	1	0	363.506	1.868	20	30		FDEDRO
C[C@H](NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)[C@@H]1C[N@H+](C)CCN1C	ZINC000896560184	824567996	/nfs/dbraw/zinc/56/79/96/824567996.db2.gz	MSHFRGVQFZEAKK-SNRMKQJTSA-N	1	0	355.486	1.278	20	30		FDEDRO
CO[C@H]1C[C@@H](C(N)=O)N(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1	ZINC000329097288	824580502	/nfs/dbraw/zinc/58/05/02/824580502.db2.gz	YMQZKHSISQWLLN-XUWVNRHRSA-N	1	0	368.478	1.293	20	30		FDEDRO
C[N@H+](CCNC(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1)C1CCCC1	ZINC000329120177	824610494	/nfs/dbraw/zinc/61/04/94/824610494.db2.gz	KBYFFWNAAWXRPL-LJQANCHMSA-N	1	0	366.506	1.224	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CN(C)CCO3)[C@H]2CC)cc1	ZINC000984729290	824615942	/nfs/dbraw/zinc/61/59/42/824615942.db2.gz	SNXYFDMQMJGYSK-OTWHNJEPSA-N	1	0	369.465	1.108	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC(=O)N(CCOC)C3)C[C@@H]2C1	ZINC001087985521	824630525	/nfs/dbraw/zinc/63/05/25/824630525.db2.gz	SYWDTFRISFIPIX-SQNIBIBYSA-N	1	0	363.502	1.228	20	30		FDEDRO
CC(C)NC(=O)NC1(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)CCCCC1	ZINC000329169254	824639263	/nfs/dbraw/zinc/63/92/63/824639263.db2.gz	JBVUSKIGCCGRGU-HZPDHXFCSA-N	1	0	366.506	1.533	20	30		FDEDRO
CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NCC2CCN(C(C)=O)CC2)C1	ZINC000329172747	824645991	/nfs/dbraw/zinc/64/59/91/824645991.db2.gz	KMRVACNGPBPSGP-ROUUACIJSA-N	1	0	366.506	1.344	20	30		FDEDRO
CC(=O)N1CCC[C@](O)(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1	ZINC000329189693	824654580	/nfs/dbraw/zinc/65/45/80/824654580.db2.gz	PVJQNHWFTWAROE-AZUAARDMSA-N	1	0	359.470	1.838	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCc2ncnn21	ZINC001029481098	824673815	/nfs/dbraw/zinc/67/38/15/824673815.db2.gz	YWIGVAQTUICHQC-JJTUDDRGSA-N	1	0	357.458	1.032	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)[C@H]1C[NH+]2CCC1CC2	ZINC000984742316	824676281	/nfs/dbraw/zinc/67/62/81/824676281.db2.gz	GTAMAMAQADOXTK-XYJFISCASA-N	1	0	369.469	1.337	20	30		FDEDRO
CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000329261201	824701263	/nfs/dbraw/zinc/70/12/63/824701263.db2.gz	ATTFOPKRBUXURU-QGZVFWFLSA-N	1	0	365.522	1.854	20	30		FDEDRO
CN1C[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4C#N)CC[C@@H]3C2)CC1=O	ZINC001087985940	824709319	/nfs/dbraw/zinc/70/93/19/824709319.db2.gz	MOLUJTXCKUXKON-QYZOEREBSA-N	1	0	366.465	1.317	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCN(C(C)C)C1=O	ZINC001029482054	824723193	/nfs/dbraw/zinc/72/31/93/824723193.db2.gz	RXTYKSZPWRTJJT-WKULXVSPSA-N	1	0	361.486	1.262	20	30		FDEDRO
C[C@@H]1CN(c2ccc(CNC(=O)N[C@H]3CC[N@@H+](C4CC4)C3)cn2)CCO1	ZINC000329303025	824725253	/nfs/dbraw/zinc/72/52/53/824725253.db2.gz	NSTGVBBCWMKDGB-ZBFHGGJFSA-N	1	0	359.474	1.547	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)CC1	ZINC000329308223	824725782	/nfs/dbraw/zinc/72/57/82/824725782.db2.gz	ZNJOWYROSDTMMB-UHFFFAOYSA-N	1	0	374.489	1.279	20	30		FDEDRO
CN(C)S(=O)(=O)n1ccnc1C[NH2+]C(C)(C)Cc1ccc(C#N)cc1	ZINC000896631269	824744592	/nfs/dbraw/zinc/74/45/92/824744592.db2.gz	BBMQFHIUVHEXMV-UHFFFAOYSA-N	1	0	361.471	1.520	20	30		FDEDRO
Cn1ccnc(N2CCC[C@H](NC(=O)CC[C@H]3CCCC[N@@H+]3C)C2)c1=O	ZINC000329344228	824747801	/nfs/dbraw/zinc/74/78/01/824747801.db2.gz	QJUXRDXDGYXOGM-JKSUJKDBSA-N	1	0	361.490	1.970	20	30		FDEDRO
CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)C[C@@H]1C	ZINC000329356992	824753122	/nfs/dbraw/zinc/75/31/22/824753122.db2.gz	WKXRXEJSJLKUNY-YESZJQIVSA-N	1	0	365.522	1.995	20	30		FDEDRO
CN1C[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4)CC[C@@H]3C2)CC1=O	ZINC001087986146	824758452	/nfs/dbraw/zinc/75/84/52/824758452.db2.gz	XPAGZGKJPVJGFL-QYZOEREBSA-N	1	0	366.465	1.317	20	30		FDEDRO
COC(=O)[C@@H]1[C@H](C[N@@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)C1(F)F	ZINC000896654316	824771616	/nfs/dbraw/zinc/77/16/16/824771616.db2.gz	OZKWHMQZJVKNDZ-IPYPFGDCSA-N	1	0	350.369	1.884	20	30		FDEDRO
C[C@H](NC(=O)CN1CCOCC2(CCOCC2)C1)C(=O)N1CCCCC1	ZINC000329495077	824836888	/nfs/dbraw/zinc/83/68/88/824836888.db2.gz	DKJBLSGWLBIPEM-INIZCTEOSA-N	1	0	367.490	1.473	20	30		FDEDRO
Cc1nccc(N2CCN(CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)n1	ZINC000329518267	824844845	/nfs/dbraw/zinc/84/48/45/824844845.db2.gz	NMFZKQSBXOKMOT-UHFFFAOYSA-N	1	0	358.490	1.490	20	30		FDEDRO
CCC[NH+]1CCC(CNC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC1	ZINC000329559861	824878967	/nfs/dbraw/zinc/87/89/67/824878967.db2.gz	RCGKXRAFSTXWJW-UHFFFAOYSA-N	1	0	359.430	1.461	20	30		FDEDRO
CC(C)CNC(=O)N1CCC[C@H](CC(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1	ZINC000329574226	824894675	/nfs/dbraw/zinc/89/46/75/824894675.db2.gz	NQYGODZHDPCSQG-IAGOWNOFSA-N	1	0	367.538	1.861	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1	ZINC000984789864	824919894	/nfs/dbraw/zinc/91/98/94/824919894.db2.gz	FQEVGVXAILNECV-DLBZAZTESA-N	1	0	371.485	1.728	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)CC[C@H]1CCC[N@@H+]1C	ZINC000984790568	824920944	/nfs/dbraw/zinc/92/09/44/824920944.db2.gz	WOORTKPHRAXJFL-FGTMMUONSA-N	1	0	371.485	1.870	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(=O)[nH]c4ncn(C)c43)C[C@@H]2C1	ZINC001087989919	824931990	/nfs/dbraw/zinc/93/19/90/824931990.db2.gz	CONORYWCJOGMJE-KGLIPLIRSA-N	1	0	353.426	1.091	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c(C)nc(=O)[nH]c3C)C[C@@H]2C1	ZINC001087992676	824955188	/nfs/dbraw/zinc/95/51/88/824955188.db2.gz	GJBOAZJNKBMBPU-SJORKVTESA-N	1	0	356.470	1.535	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CS(=O)(=O)C3CCCC3)C[C@@H]2C1	ZINC001088015384	825261134	/nfs/dbraw/zinc/26/11/34/825261134.db2.gz	KGJOIBIMWXMAOT-CVEARBPZSA-N	1	0	354.516	1.700	20	30		FDEDRO
C[C@H](NC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1)C1=CC[N@H+](C)CC1	ZINC000329716829	825362921	/nfs/dbraw/zinc/36/29/21/825362921.db2.gz	WYAGHDQVNVFOLG-DOTOQJQBSA-N	1	0	364.490	1.122	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc4c(c3)NC(=O)CO4)C[C@@H]2C1	ZINC001088028458	825426869	/nfs/dbraw/zinc/42/68/69/825426869.db2.gz	NKCFMNVUIQZMFC-ZBFHGGJFSA-N	1	0	370.453	1.773	20	30		FDEDRO
Cc1cc(N2CCC[C@@H](NC(=O)N(C)CC[NH+]3CCCC3)C2=O)n(C)n1	ZINC000329773776	825445058	/nfs/dbraw/zinc/44/50/58/825445058.db2.gz	LRAFIQMMOGGSHR-OAHLLOKOSA-N	1	0	362.478	1.166	20	30		FDEDRO
COCC[C@H]1COCCN1C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000329791843	825458863	/nfs/dbraw/zinc/45/88/63/825458863.db2.gz	DZUPBEOARXGPTB-SFHVURJKSA-N	1	0	368.522	1.196	20	30		FDEDRO
C[C@@H]1CC(CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C[C@@H](C)O1	ZINC000329818723	825479087	/nfs/dbraw/zinc/47/90/87/825479087.db2.gz	XIFZBOHYYPXWOK-INMHGKMJSA-N	1	0	366.506	1.342	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3OCC(N)=O)C[C@@H]2C1	ZINC001088034154	825490521	/nfs/dbraw/zinc/49/05/21/825490521.db2.gz	WHWTXDBFQLAHDO-CVEARBPZSA-N	1	0	357.454	1.521	20	30		FDEDRO
[O-]C(NC[C@@H]1CCc2nccn2C1)=[NH+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000329898675	825530259	/nfs/dbraw/zinc/53/02/59/825530259.db2.gz	DYXQBVKMJLJMLO-UAGQMJEPSA-N	1	0	361.490	1.327	20	30		FDEDRO
CCN1CCN(C(=O)NC2CC[NH+](CCOC)CC2)C[C@H]1c1ncc[nH]1	ZINC000329938692	825552897	/nfs/dbraw/zinc/55/28/97/825552897.db2.gz	AMVRZXHXDMIANX-INIZCTEOSA-N	1	0	364.494	1.113	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3cnc4c(c3)nnn4C)C[C@@H]2C1	ZINC001088045404	825563701	/nfs/dbraw/zinc/56/37/01/825563701.db2.gz	QULDAUKTGBHFMX-ZBFHGGJFSA-N	1	0	354.458	1.723	20	30		FDEDRO
Cn1ccnc1[C@H]1CN(CC(=O)NC2CC[NH+](C3CC3)CC2)CCN1C	ZINC000329964826	825569410	/nfs/dbraw/zinc/56/94/10/825569410.db2.gz	USPMGEPYVHEHEI-QGZVFWFLSA-N	1	0	360.506	1.292	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@@H](Oc3ccncc3)C2)C1	ZINC000329973733	825572018	/nfs/dbraw/zinc/57/20/18/825572018.db2.gz	YTXGLNSQPUBPHT-QZTJIDSGSA-N	1	0	362.474	1.806	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2CC)cn1	ZINC000984945494	825613645	/nfs/dbraw/zinc/61/36/45/825613645.db2.gz	BTPMRRWARUWANL-DQEVTTJGSA-N	1	0	368.481	1.512	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCCN3CC(F)F)C[C@@H]2C1	ZINC001088053744	825652503	/nfs/dbraw/zinc/65/25/03/825652503.db2.gz	XXKGYIPEDJMSCP-PMPSAXMXSA-N	1	0	357.445	1.309	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)CC1	ZINC000330135723	825665680	/nfs/dbraw/zinc/66/56/80/825665680.db2.gz	MXFYQINLAOUQND-RCCFBDPRSA-N	1	0	356.470	1.695	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccccc1COC1CCOCC1	ZINC000330181571	825709013	/nfs/dbraw/zinc/70/90/13/825709013.db2.gz	OEVORZBKNDUPHO-QGZVFWFLSA-N	1	0	361.486	1.933	20	30		FDEDRO
O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCN(c2cc(C3CC3)[nH]n2)CC1	ZINC000330186452	825711424	/nfs/dbraw/zinc/71/14/24/825711424.db2.gz	JTBHVVBLKUCPMR-WBVHZDCISA-N	1	0	358.490	1.950	20	30		FDEDRO
O=C(NC1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1)C1CCC1	ZINC000330188276	825711551	/nfs/dbraw/zinc/71/15/51/825711551.db2.gz	UKFCAORDDGAUPP-SJORKVTESA-N	1	0	364.490	1.719	20	30		FDEDRO
CN(C[C@H](O)CN1CCOCC1)C(=O)N[C@H]1CCOC2(CCCCC2)C1	ZINC000330210127	825735559	/nfs/dbraw/zinc/73/55/59/825735559.db2.gz	CETXLRHAPIXUON-IRXDYDNUSA-N	1	0	369.506	1.407	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CC2(CC(=O)OC)CCCC2)c1C#N	ZINC000526073328	828818739	/nfs/dbraw/zinc/81/87/39/828818739.db2.gz	RFZUKNXYAQGXQB-UHFFFAOYSA-N	1	0	361.446	1.885	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCCNC4=O)CC[C@@H]3C2)cc1	ZINC001088061921	825748122	/nfs/dbraw/zinc/74/81/22/825748122.db2.gz	FJEIZVFAGVLXKD-CEXWTWQISA-N	1	0	351.450	1.340	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1cn2c(n1)CCCC2	ZINC000330266267	825780650	/nfs/dbraw/zinc/78/06/50/825780650.db2.gz	PWQHGAUDJHOEDG-HNNXBMFYSA-N	1	0	361.490	1.819	20	30		FDEDRO
O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)c1cc2n(n1)CCCO2	ZINC000330307961	825865813	/nfs/dbraw/zinc/86/58/13/825865813.db2.gz	SMNNRQSECRXHEH-FUHWJXTLSA-N	1	0	370.453	1.853	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(O[C@H]3CCN(C)C3=O)cc2C)CC1	ZINC000281265030	825922966	/nfs/dbraw/zinc/92/29/66/825922966.db2.gz	GYZNQBUBONWTTK-IBGZPJMESA-N	1	0	369.465	1.888	20	30		FDEDRO
CNC(=O)[C@]1(C)CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1	ZINC000281157197	825903505	/nfs/dbraw/zinc/90/35/05/825903505.db2.gz	POHHNJHPFTZQIH-MGPUTAFESA-N	1	0	372.469	1.788	20	30		FDEDRO
C[C@@H]1C[NH+](CCCNC(=O)c2ccn(-c3cccc(C#N)c3)n2)C[C@@H](C)O1	ZINC000281249678	825916927	/nfs/dbraw/zinc/91/69/27/825916927.db2.gz	NTHQEVQDWKHSFM-HZPDHXFCSA-N	1	0	367.453	1.973	20	30		FDEDRO
Cc1c([C@H]2OCC[C@@H]2NC(=O)NCc2cn3c(n2)CCCC3)cnn1C	ZINC000330335439	825940902	/nfs/dbraw/zinc/94/09/02/825940902.db2.gz	RNVDNUFCBUXPLE-DOTOQJQBSA-N	1	0	358.446	1.795	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)Cc3ccco3)[C@@H]2CC)CC1	ZINC000984988694	826003171	/nfs/dbraw/zinc/00/31/71/826003171.db2.gz	JVJCFPGECWHQHS-RBUKOAKNSA-N	1	0	371.481	1.663	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@]4(F)CCOC4)C[C@@H]3C2)cc1	ZINC001088080601	826155678	/nfs/dbraw/zinc/15/56/78/826155678.db2.gz	FGVNVNHDBJHPTH-HBFSDRIKSA-N	1	0	357.429	1.967	20	30		FDEDRO
Cn1ncc2c1C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)CC2	ZINC000281710614	826169117	/nfs/dbraw/zinc/16/91/17/826169117.db2.gz	BRQODYAIFZGYRL-SFHVURJKSA-N	1	0	365.481	1.987	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccncc2C)[C@@H]1CC	ZINC000985047772	826232529	/nfs/dbraw/zinc/23/25/29/826232529.db2.gz	PBSZGEGNBQHJHE-OTWHNJEPSA-N	1	0	368.481	1.597	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2ccco2)[C@@H]1CC	ZINC000985048573	826235347	/nfs/dbraw/zinc/23/53/47/826235347.db2.gz	KRPJCVJCUMVUDZ-KSZLIROESA-N	1	0	357.454	1.415	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOC)C1	ZINC001112175330	826239873	/nfs/dbraw/zinc/23/98/73/826239873.db2.gz	WTKFSNJKCYMODI-HZSPNIEDSA-N	1	0	365.396	1.083	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cccnc4C)C[C@@H]3C2)C1=O	ZINC001088086192	826280623	/nfs/dbraw/zinc/28/06/23/826280623.db2.gz	ZEMOCTVPBZHCIO-AOIWGVFYSA-N	1	0	368.481	1.571	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H]3C[N@@H+](CCN4CCNC4=O)CC[C@@H]3C2)CC1	ZINC001088092889	826340079	/nfs/dbraw/zinc/34/00/79/826340079.db2.gz	ASTAHHYCVMIPJC-MSOLQXFVSA-N	1	0	360.502	1.538	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cc4occc4C)C[C@@H]3C2)C1=O	ZINC001088099469	826389650	/nfs/dbraw/zinc/38/96/50/826389650.db2.gz	MOXNUEQTSPCWPA-SQNIBIBYSA-N	1	0	371.481	1.698	20	30		FDEDRO
C[C@]1(C(=O)N2C[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)CC[C@@H]3C2)CCNC1=O	ZINC001088104038	826408341	/nfs/dbraw/zinc/40/83/41/826408341.db2.gz	RHNQQAVZAMNQPL-LQWHRVPQSA-N	1	0	366.465	1.365	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cc(C)[nH]c4C)C[C@@H]3C2)C1=O	ZINC001088122513	826510990	/nfs/dbraw/zinc/51/09/90/826510990.db2.gz	GATRNNFDQRCVQY-AOIWGVFYSA-N	1	0	370.497	1.812	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccnn3C3CCOCC3)C[C@@H]2C1	ZINC001088135671	826589194	/nfs/dbraw/zinc/58/91/94/826589194.db2.gz	WEZDYKCTSWMYEU-SJORKVTESA-N	1	0	356.470	1.652	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C3(S(C)(=O)=O)CCCC3)C[C@@H]2C1	ZINC001088137854	826619983	/nfs/dbraw/zinc/61/99/83/826619983.db2.gz	HQRPLNQJFXPZQR-CVEARBPZSA-N	1	0	354.516	1.700	20	30		FDEDRO
COc1ccc([C@@H]([NH2+]C(C)C)C(=O)N2CCN(C(=O)CC#N)CC2)cc1	ZINC000896992351	826739930	/nfs/dbraw/zinc/73/99/30/826739930.db2.gz	CAFOVUOZTZHPRQ-GOSISDBHSA-N	1	0	358.442	1.319	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2CC)nc1	ZINC000985212040	826919715	/nfs/dbraw/zinc/91/97/15/826919715.db2.gz	OIDYNDAMNBHIAL-VDZJLULYSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2CC)nc1	ZINC000985211953	826919847	/nfs/dbraw/zinc/91/98/47/826919847.db2.gz	NCVQKYGBCLZDEV-XYJFISCASA-N	1	0	354.454	1.124	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2cnc(C#N)cn2)CC[N@@H+]1C	ZINC001059515818	827204373	/nfs/dbraw/zinc/20/43/73/827204373.db2.gz	WMLKSMJDAITYRI-IBWRZXHSSA-N	1	0	354.458	1.304	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4cc(C)no4)CC[C@@H]3C2)cn1	ZINC001088175201	827225562	/nfs/dbraw/zinc/22/55/62/827225562.db2.gz	KQARHZPZTOQSGT-SJORKVTESA-N	1	0	350.422	1.953	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3ocnc3C)[C@H]2C)CC1	ZINC000987528717	833177671	/nfs/dbraw/zinc/17/76/71/833177671.db2.gz	VFIZSLBYIVPZJU-ZBFHGGJFSA-N	1	0	358.442	1.047	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]2C[N@H+]([C@H](C)C(=O)NC)CC[C@@H]2C1	ZINC001088183609	827307327	/nfs/dbraw/zinc/30/73/27/827307327.db2.gz	OIKPWSKUSDKFIQ-LZQZEXGQSA-N	1	0	353.466	1.125	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]2C[N@H+]([C@@H](C)C(=O)NC)CC[C@@H]2C1	ZINC001088183608	827307846	/nfs/dbraw/zinc/30/78/46/827307846.db2.gz	OIKPWSKUSDKFIQ-IPELMVKDSA-N	1	0	353.466	1.125	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cnnn4)c3)C[C@@H]2C1	ZINC001088196719	827409677	/nfs/dbraw/zinc/40/96/77/827409677.db2.gz	WAMVAKCUZRHUJH-SJORKVTESA-N	1	0	352.442	1.632	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)CC2)C1	ZINC001088236201	827612289	/nfs/dbraw/zinc/61/22/89/827612289.db2.gz	OFSCXORINUVLKZ-IPMKNSEASA-N	1	0	370.497	1.486	20	30		FDEDRO
C[C@H](NC(=O)c1cnn(C)c1C#N)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000475443582	827629573	/nfs/dbraw/zinc/62/95/73/827629573.db2.gz	GAVLTIHLNMTKPT-ZDUSSCGKSA-N	1	0	370.432	1.674	20	30		FDEDRO
N#Cc1cc(C(=O)Nc2ccccc2C[N@H+]2CCC[C@H](C(N)=O)C2)ccn1	ZINC000475449685	827665016	/nfs/dbraw/zinc/66/50/16/827665016.db2.gz	URHDSLBHUKEKIB-INIZCTEOSA-N	1	0	363.421	1.903	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC([N@H+](C)Cc3ccc(C#N)cc3)CC2)C1	ZINC000985437490	827829078	/nfs/dbraw/zinc/82/90/78/827829078.db2.gz	KQWVHIKFLUEVOD-DNVCBOLYSA-N	1	0	368.481	1.896	20	30		FDEDRO
C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)[C@@H]2C1	ZINC001075855093	827932397	/nfs/dbraw/zinc/93/23/97/827932397.db2.gz	CJXAPUDTFLSBMO-RRFJBIMHSA-N	1	0	353.894	1.919	20	30		FDEDRO
[NH2+]=C(N[C@H]1CCN(CC(F)(F)F)C1)N1CCN(c2ccc(F)cc2)CC1	ZINC000303886690	827939570	/nfs/dbraw/zinc/93/95/70/827939570.db2.gz	NXBKLIYZFJVWFG-AWEZNQCLSA-N	1	0	373.398	1.899	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(OCC(N)=O)c3)[C@@H]2C1	ZINC001075856790	827980241	/nfs/dbraw/zinc/98/02/41/827980241.db2.gz	JMARDZDNNQYXSA-FUHWJXTLSA-N	1	0	357.454	1.663	20	30		FDEDRO
C[NH+]=C(NCC(=O)N(C)C)N1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000262532285	827991837	/nfs/dbraw/zinc/99/18/37/827991837.db2.gz	IRZKCGWCYUNWOK-UHFFFAOYSA-N	1	0	371.407	1.491	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)[C@H]2CC)c1	ZINC000985492413	828022092	/nfs/dbraw/zinc/02/20/92/828022092.db2.gz	FIJFMJVVCGAZIR-ZYSHUDEJSA-N	1	0	368.481	1.657	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000985498539	828046054	/nfs/dbraw/zinc/04/60/54/828046054.db2.gz	LVJNNIKFZGZWCQ-JLJPHGGASA-N	1	0	357.458	1.337	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)CCCN(C)c2nc(C)cc(C#N)n2)CC[N@@H+]1C	ZINC001112187447	828084107	/nfs/dbraw/zinc/08/41/07/828084107.db2.gz	DYBSZDPOFLMFHE-DLBZAZTESA-N	1	0	358.490	1.672	20	30		FDEDRO
C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)COc2ccccc2C#N)cc1	ZINC000444541362	828147927	/nfs/dbraw/zinc/14/79/27/828147927.db2.gz	BQHASIAMEIKWQF-QGZVFWFLSA-N	1	0	369.421	1.877	20	30		FDEDRO
COC(=O)C[C@]1([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCOC1	ZINC000447882108	828924782	/nfs/dbraw/zinc/92/47/82/828924782.db2.gz	NPHKHKJQGIWEAB-QFBILLFUSA-N	1	0	357.410	1.365	20	30		FDEDRO
CCOC(=O)c1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)on1	ZINC000448727400	829219814	/nfs/dbraw/zinc/21/98/14/829219814.db2.gz	XQPUCZJQPQIHSV-UHFFFAOYSA-N	1	0	370.409	1.927	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCC[C@H](C)C1	ZINC001168101149	829226178	/nfs/dbraw/zinc/22/61/78/829226178.db2.gz	ONJOUUUGYNQRHH-BQFCYCMXSA-N	1	0	351.491	1.322	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NCCC(C)(C)C	ZINC001168101102	829226387	/nfs/dbraw/zinc/22/63/87/829226387.db2.gz	MESNTVRSGUWSEO-RDJZCZTQSA-N	1	0	353.507	1.616	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1	ZINC000448917141	829298896	/nfs/dbraw/zinc/29/88/96/829298896.db2.gz	ZBLBSHKBBPGYLL-UXHICEINSA-N	1	0	357.498	1.854	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1	ZINC001088381363	829305314	/nfs/dbraw/zinc/30/53/14/829305314.db2.gz	CMDJMYLSVFUHRV-IXDOHACOSA-N	1	0	351.491	1.559	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NC[C@@H]3CC[N@@H+]3C3CCCC3)CC2)nc1	ZINC000528283702	829329308	/nfs/dbraw/zinc/32/93/08/829329308.db2.gz	CFCHGYFTHLFJPN-SFHVURJKSA-N	1	0	368.485	1.802	20	30		FDEDRO
CCC[C@H]1CN(C[C@H](O)COc2ccccc2C#N)CC[N@@H+]1CCOC	ZINC000528427904	829399928	/nfs/dbraw/zinc/39/99/28/829399928.db2.gz	AMHXOPOIELTZRE-OALUTQOASA-N	1	0	361.486	1.731	20	30		FDEDRO
C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CC#CCN1C(=O)c2ccccc2C1=O	ZINC000528502980	829428866	/nfs/dbraw/zinc/42/88/66/829428866.db2.gz	JKMQUSCCTFBSQC-VQIMIIECSA-N	1	0	351.450	1.845	20	30		FDEDRO
C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O	ZINC000528503217	829429102	/nfs/dbraw/zinc/42/91/02/829429102.db2.gz	DLMQGLZCDVZZBJ-SJORKVTESA-N	1	0	367.449	1.081	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CCN1CC[C@@H]([C@@H](O)C(F)(F)F)C1	ZINC000528522281	829435731	/nfs/dbraw/zinc/43/57/31/829435731.db2.gz	VTHZYDQTIQSZJY-IUODEOHRSA-N	1	0	366.339	1.531	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O	ZINC000528521566	829435895	/nfs/dbraw/zinc/43/58/95/829435895.db2.gz	SFAQXGBHXZLCPX-GUDVDZBRSA-N	1	0	352.434	1.911	20	30		FDEDRO
N#Cc1ccc(CC(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)cn1	ZINC000528528556	829444315	/nfs/dbraw/zinc/44/43/15/829444315.db2.gz	OBBQOAYUSZUVIJ-FQEVSTJZSA-N	1	0	364.449	1.555	20	30		FDEDRO
CC1([NH+]2CCOCC2)CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000528727202	829537156	/nfs/dbraw/zinc/53/71/56/829537156.db2.gz	GZVXRVNSTCQQPJ-IBGZPJMESA-N	1	0	368.481	1.850	20	30		FDEDRO
C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1	ZINC000449891887	829714458	/nfs/dbraw/zinc/71/44/58/829714458.db2.gz	MNQSENQDKHNEFF-ZFWWWQNUSA-N	1	0	374.872	1.975	20	30		FDEDRO
Cc1nc2n(n1)C[C@H](NC(NCCc1ccco1)=[NH+]C1CCOCC1)CC2	ZINC000262694412	830223728	/nfs/dbraw/zinc/22/37/28/830223728.db2.gz	WZQXIVUMBPTJDJ-MRXNPFEDSA-N	1	0	372.473	1.451	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C)cc1	ZINC000729809811	837434437	/nfs/dbraw/zinc/43/44/37/837434437.db2.gz	PPBAUJGDCJJOIR-CVEARBPZSA-N	1	0	364.467	1.303	20	30		FDEDRO
CCOC(=O)[C@@H]1C[N@H+](CCOc2ccc(C#N)cc2OC)CC12COC2	ZINC000451131625	830269143	/nfs/dbraw/zinc/26/91/43/830269143.db2.gz	HKZGOZNVKPGOJQ-HNNXBMFYSA-N	1	0	360.410	1.457	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)C[C@@H]21	ZINC000451632196	830414756	/nfs/dbraw/zinc/41/47/56/830414756.db2.gz	ODABYSLJDIUOCT-WBVHZDCISA-N	1	0	365.399	1.809	20	30		FDEDRO
N#Cc1cccc(-c2cc(C(=O)NC[C@H]3CCCC[N@H+]3CCO)on2)c1	ZINC000452380389	830641674	/nfs/dbraw/zinc/64/16/74/830641674.db2.gz	SNSTVOLCLWYBRA-MRXNPFEDSA-N	1	0	354.410	1.790	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@@H]3C2)cc1	ZINC000986125894	830933441	/nfs/dbraw/zinc/93/34/41/830933441.db2.gz	DSXQCLYPSVIJTL-AQNXPRMDSA-N	1	0	365.477	1.540	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)ccc1C#N	ZINC000453598712	830953382	/nfs/dbraw/zinc/95/33/82/830953382.db2.gz	AVJYZEHQCWTDLS-YJYMSZOUSA-N	1	0	357.458	1.827	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)ccc1C#N	ZINC000453662411	830993460	/nfs/dbraw/zinc/99/34/60/830993460.db2.gz	CUVDYAKPTPUDHT-OAHLLOKOSA-N	1	0	357.458	1.684	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)CCCC3=O)CC1	ZINC000453664355	830994701	/nfs/dbraw/zinc/99/47/01/830994701.db2.gz	TZNRAWVXYBICSX-UHFFFAOYSA-N	1	0	355.438	1.911	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)ccc1C#N	ZINC000453677162	831013418	/nfs/dbraw/zinc/01/34/18/831013418.db2.gz	UVAFNQWJWPROLA-MRXNPFEDSA-N	1	0	357.458	1.827	20	30		FDEDRO
C[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N[C@@H]1CCCN(c2cnn(C)c2)C1	ZINC000262781349	831411658	/nfs/dbraw/zinc/41/16/58/831411658.db2.gz	LCAMJOWLIKFNFZ-AYBZRNKSSA-N	1	0	362.522	1.495	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1	ZINC000986473312	831738602	/nfs/dbraw/zinc/73/86/02/831738602.db2.gz	GMNDEAKNIOTEMF-SJORKVTESA-N	1	0	359.514	1.991	20	30		FDEDRO
CN1CCN(C(=O)c2cccc(C#N)c2)[C@@H](CNC(=O)OC(C)(C)C)C1	ZINC000127447661	831860538	/nfs/dbraw/zinc/86/05/38/831860538.db2.gz	DARUGJSTZHSTIL-INIZCTEOSA-N	1	0	358.442	1.839	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2c(C)nc(C)[nH]c2=O)C[C@H]1C(F)(F)F	ZINC001112206631	831895057	/nfs/dbraw/zinc/89/50/57/831895057.db2.gz	YOBIEQOKESCNQR-ZIAGYGMSSA-N	1	0	370.375	1.344	20	30		FDEDRO
C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[C@H]1C(=O)N(C)C)C[C@@H](C)O2	ZINC001098635683	831985348	/nfs/dbraw/zinc/98/53/48/831985348.db2.gz	PLRIYIJZYPPZMX-ZACQAIPSSA-N	1	0	363.502	1.369	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@@H]2C1	ZINC000986602335	832030731	/nfs/dbraw/zinc/03/07/31/832030731.db2.gz	ZFMBTKJFAAMJNW-LZWOXQAQSA-N	1	0	351.410	1.414	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)N(C)C2)C[C@H]1C(F)(F)F	ZINC001112212285	832070061	/nfs/dbraw/zinc/07/00/61/832070061.db2.gz	XSGOHTKRFYJHRZ-BFHYXJOUSA-N	1	0	361.408	1.800	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@H]3C2)C1	ZINC000986633254	832122368	/nfs/dbraw/zinc/12/23/68/832122368.db2.gz	KJKPUEFVLNEVGO-ZJPYXAASSA-N	1	0	359.514	1.990	20	30		FDEDRO
[NH2+]=C(NC[C@@H]1CS(=O)(=O)c2ccccc21)N[C@H]1CCOc2ccccc21	ZINC000263028759	832240054	/nfs/dbraw/zinc/24/00/54/832240054.db2.gz	AZUSZQFXJAYKNS-CJNGLKHVSA-N	1	0	371.462	1.986	20	30		FDEDRO
C[C@H]1C[NH+]=C(NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)N1	ZINC000263062191	832295542	/nfs/dbraw/zinc/29/55/42/832295542.db2.gz	FPULQIANHLGVQM-KRWDZBQOSA-N	1	0	357.502	1.295	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)CC2)C1=O	ZINC001030003011	832363739	/nfs/dbraw/zinc/36/37/39/832363739.db2.gz	VFVZGCUXWNWXGL-OTWHNJEPSA-N	1	0	359.514	1.990	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H]2CCCOC2)C1	ZINC001112216382	832378165	/nfs/dbraw/zinc/37/81/65/832378165.db2.gz	ZMHOAINYXCHKEF-RRFJBIMHSA-N	1	0	364.408	1.985	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(C[C@H](c2cccc(OC)c2)[NH+]2CCCC2)C1=O	ZINC000348489503	832419089	/nfs/dbraw/zinc/41/90/89/832419089.db2.gz	VCARPNONKPMVNJ-ZWKOTPCHSA-N	1	0	373.453	1.955	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@](C[NH2+]CCO)(c2ccccc2)C1	ZINC001105441213	832420002	/nfs/dbraw/zinc/42/00/02/832420002.db2.gz	IJPZXQKVYAGJRL-VNYTWHDVSA-N	1	0	358.482	1.766	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21	ZINC001075885313	832519414	/nfs/dbraw/zinc/51/94/14/832519414.db2.gz	QLNRNCLEISYLST-JENIJYKNSA-N	1	0	370.497	1.737	20	30		FDEDRO
CNC(=O)CNC(=S)NN=C1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1	ZINC000841622870	832549354	/nfs/dbraw/zinc/54/93/54/832549354.db2.gz	FUYKSPFBPDLBHQ-INIZCTEOSA-N	1	0	359.499	1.552	20	30		FDEDRO
Cc1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)c(C)[nH]1	ZINC001112537001	832585633	/nfs/dbraw/zinc/58/56/33/832585633.db2.gz	LOGGLNBSPSJORT-KXBFYZLASA-N	1	0	357.458	1.103	20	30		FDEDRO
CC[N@@H+]1C[C@H](C)N(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)C[C@@H]1C	ZINC000475824936	832606279	/nfs/dbraw/zinc/60/62/79/832606279.db2.gz	KGQCAAJUCACWTP-TXPKVOOTSA-N	1	0	368.481	1.990	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@@H]1C	ZINC000988860131	837672798	/nfs/dbraw/zinc/67/27/98/837672798.db2.gz	CPGPDLTWEJLMJK-JLSDUUJJSA-N	1	0	371.485	1.726	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@@H]1C	ZINC000988861060	837678307	/nfs/dbraw/zinc/67/83/07/837678307.db2.gz	MUKRGMWURJSKHM-HFTRVMKXSA-N	1	0	371.485	1.726	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CN(C)C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000988029599	833946423	/nfs/dbraw/zinc/94/64/23/833946423.db2.gz	BTXMCVZFZLHLIX-JCGIZDLHSA-N	1	0	371.485	1.537	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1	ZINC000988099923	834048178	/nfs/dbraw/zinc/04/81/78/834048178.db2.gz	PGSSLDLBJMPNTK-NXHRZFHOSA-N	1	0	363.502	1.226	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3ccns3)[C@H]2C)CC1	ZINC000988407886	834925264	/nfs/dbraw/zinc/92/52/64/834925264.db2.gz	ANHQHGQXDFGOFA-HIFRSBDPSA-N	1	0	360.483	1.208	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])CC1	ZINC000459344935	835023147	/nfs/dbraw/zinc/02/31/47/835023147.db2.gz	VLOJEELVNNYXMF-UHFFFAOYSA-N	1	0	359.430	1.452	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)CC1	ZINC000245570496	835451415	/nfs/dbraw/zinc/45/14/15/835451415.db2.gz	XCMDFSQUQHEFAK-SJLPKXTDSA-N	1	0	358.490	1.281	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3n[nH]c(C)c3C)[C@@H]2C)CC1	ZINC000988506711	835659568	/nfs/dbraw/zinc/65/95/68/835659568.db2.gz	NOUYBBVFCLVTGY-WBVHZDCISA-N	1	0	371.485	1.091	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)/C=C\c3ccco3)[C@@H]2C)CC1	ZINC000988506972	835660971	/nfs/dbraw/zinc/66/09/71/835660971.db2.gz	BKCDGXLFWMOTLO-VAQJZUQRSA-N	1	0	369.465	1.744	20	30		FDEDRO
CCCO[C@H]1CCC[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1	ZINC000246110468	835922269	/nfs/dbraw/zinc/92/22/69/835922269.db2.gz	POUWENGEPQNSOZ-RBUKOAKNSA-N	1	0	364.534	1.960	20	30		FDEDRO
C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H]1C)N1C(=O)CCC1=O	ZINC001088601879	835946099	/nfs/dbraw/zinc/94/60/99/835946099.db2.gz	PALYYKKNEBBYLY-KEYYUXOJSA-N	1	0	368.437	1.175	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1CN(CC(=O)N2CCc3ccccc3C2)C[C@H]1OC	ZINC001211997182	836091596	/nfs/dbraw/zinc/09/15/96/836091596.db2.gz	KHLVIWZIUZTBPH-RTBURBONSA-N	1	0	371.481	1.353	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(=O)[nH]c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105669116	844136027	/nfs/dbraw/zinc/13/60/27/844136027.db2.gz	PJIPHLREJNQPHN-HBXLWWENSA-N	1	0	359.470	1.943	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)c1C#N	ZINC000441863960	836189700	/nfs/dbraw/zinc/18/97/00/836189700.db2.gz	NHRWTUWTNCATRP-UHFFFAOYSA-N	1	0	358.442	1.374	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1CN(CC(=O)N[C@@H](C)CCCCC)C[C@H]1OC	ZINC001212024168	836303543	/nfs/dbraw/zinc/30/35/43/836303543.db2.gz	LRELCLRFSBIBQI-GVDBMIGSSA-N	1	0	353.507	1.853	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)CCCC[NH+](C)C)C[C@@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001105669172	844149651	/nfs/dbraw/zinc/14/96/51/844149651.db2.gz	PQMVUPPXDBOZMT-ZAWLATJESA-N	1	0	350.507	1.208	20	30		FDEDRO
C=CCN1CC[C@H](N2C[C@@H](NC(=O)CCCC(C)(C)C)[C@H](OC)C2)C1=O	ZINC001212028373	836318913	/nfs/dbraw/zinc/31/89/13/836318913.db2.gz	QDVLBVPRKXLUIE-IXDOHACOSA-N	1	0	365.518	1.805	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@@H]1C	ZINC000988638380	836430224	/nfs/dbraw/zinc/43/02/24/836430224.db2.gz	DUIGRKQFXLCICG-ZACQAIPSSA-N	1	0	358.486	1.735	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1	ZINC000937999465	836964644	/nfs/dbraw/zinc/96/46/44/836964644.db2.gz	OMZCCJWMXFGCNR-BBWFWOEESA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@H]1OC	ZINC001212092653	837106456	/nfs/dbraw/zinc/10/64/56/837106456.db2.gz	KWGHEPJAMBPZSY-GUDVDZBRSA-N	1	0	362.470	1.518	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@H]1OC	ZINC001212084749	837120829	/nfs/dbraw/zinc/12/08/29/837120829.db2.gz	FYKHOOQFKSJSJR-RTBURBONSA-N	1	0	362.470	1.864	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C#C)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105669493	844248882	/nfs/dbraw/zinc/24/88/82/844248882.db2.gz	SIKDSFNWBNUOEX-NXLVEIQXSA-N	1	0	365.477	1.666	20	30		FDEDRO
C=CCOCC(=O)O[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000729766286	837246585	/nfs/dbraw/zinc/24/65/85/837246585.db2.gz	MUSTZMUTCNILMK-MRXNPFEDSA-N	1	0	360.454	1.902	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)cc1	ZINC000988783930	837330406	/nfs/dbraw/zinc/33/04/06/837330406.db2.gz	ZAIUBTZYCICZAU-BEFAXECRSA-N	1	0	353.466	1.729	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3[nH]cnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105669633	844260293	/nfs/dbraw/zinc/26/02/93/844260293.db2.gz	UCDMMNKTARQIDO-HNBVOPMISA-N	1	0	358.486	1.250	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCN(C)C(C)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105669702	844280695	/nfs/dbraw/zinc/28/06/95/844280695.db2.gz	UTVSLGKAVCEVPW-JYBIWHBTSA-N	1	0	365.518	1.397	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CCN1C(=O)C#CC1CC1	ZINC000988969757	838017132	/nfs/dbraw/zinc/01/71/32/838017132.db2.gz	RHOCQCMHRCVSMM-BEFAXECRSA-N	1	0	353.466	1.881	20	30		FDEDRO
CCn1ccc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)CSCC#N)C3)n1	ZINC001112264532	844299499	/nfs/dbraw/zinc/29/94/99/844299499.db2.gz	LMJFGTXJSMDVHB-YJBOKZPZSA-N	1	0	361.515	1.878	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NCc1ccccc1OCC[NH+](CC)CC	ZINC000272117261	838430439	/nfs/dbraw/zinc/43/04/39/838430439.db2.gz	ZXEYGCWJWPAEAT-UHFFFAOYSA-N	1	0	362.474	1.509	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1	ZINC000273382988	838445673	/nfs/dbraw/zinc/44/56/73/838445673.db2.gz	FEAONSUAFCGKPY-GOSISDBHSA-N	1	0	359.470	1.707	20	30		FDEDRO
C[NH+](C)CCn1nccc1NC(=O)N1CCN(c2cccc(C#N)n2)CC1	ZINC000455662742	838451233	/nfs/dbraw/zinc/45/12/33/838451233.db2.gz	VQOSRVBIIJLXTH-UHFFFAOYSA-N	1	0	368.445	1.065	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](C[C@@H]2CCc3ncnn32)[C@@H]1C	ZINC001088624277	838514398	/nfs/dbraw/zinc/51/43/98/838514398.db2.gz	XJLIOUQMNFLFBP-PMPSAXMXSA-N	1	0	354.458	1.646	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H](C)Cc3c[nH]cn3)[C@@H]2C)cn1	ZINC000989163861	838546477	/nfs/dbraw/zinc/54/64/77/838546477.db2.gz	JJXFTIZTPGPXGO-LBTNJELSSA-N	1	0	365.437	1.384	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C)nc2C)[C@@H]1C	ZINC001088631155	838622144	/nfs/dbraw/zinc/62/21/44/838622144.db2.gz	VHUVZWGWERSXFR-HOJAQTOUSA-N	1	0	354.498	1.875	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1	ZINC000989215385	838733866	/nfs/dbraw/zinc/73/38/66/838733866.db2.gz	DHUMFKNXCNFWBF-MHORFTMASA-N	1	0	363.502	1.559	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C)cc1	ZINC000989210881	838744609	/nfs/dbraw/zinc/74/46/09/838744609.db2.gz	QCGZBKDOYFEQOQ-BEFAXECRSA-N	1	0	353.466	1.729	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1	ZINC000459918013	839079504	/nfs/dbraw/zinc/07/95/04/839079504.db2.gz	RIGOAJCMXZCAFU-UHFFFAOYSA-N	1	0	368.481	1.994	20	30		FDEDRO
Cn1cncc1C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21	ZINC001075998178	844428227	/nfs/dbraw/zinc/42/82/27/844428227.db2.gz	DNKRPQUGYJPBLC-QFBILLFUSA-N	1	0	365.437	1.669	20	30		FDEDRO
COCC#CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@]13C[C@H]1CCC3)CCO2	ZINC001105475530	839405598	/nfs/dbraw/zinc/40/55/98/839405598.db2.gz	ALHFJTPCHWPCCC-AXIYNFMDSA-N	1	0	360.498	1.956	20	30		FDEDRO
COc1ccc(CNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cc1C#N	ZINC000841864596	839485387	/nfs/dbraw/zinc/48/53/87/839485387.db2.gz	ZXXPNUPJGDNOTQ-INIZCTEOSA-N	1	0	373.457	1.096	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3ccc(F)cn3)[C@H]2C)C1=O	ZINC001088673563	839563469	/nfs/dbraw/zinc/56/34/69/839563469.db2.gz	HZAUZIWYZRGXMR-COXVUDFISA-N	1	0	360.433	1.129	20	30		FDEDRO
C[N@@H+]1C[C@@H](CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)[C@H](c2ccccc2)C1	ZINC000897574750	839630365	/nfs/dbraw/zinc/63/03/65/839630365.db2.gz	KZFWPZCKJQVVQJ-HOJAQTOUSA-N	1	0	367.497	1.714	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCN(C)c3ccccc32)c1C#N	ZINC000760304397	839759936	/nfs/dbraw/zinc/75/99/36/839759936.db2.gz	LJLUPSKAMGEEJX-CQSZACIVSA-N	1	0	352.442	1.996	20	30		FDEDRO
CN(C)C(=O)COc1ccccc1C[NH+]1CCC2(CC1)CC(=O)C=CO2	ZINC000897602882	839921430	/nfs/dbraw/zinc/92/14/30/839921430.db2.gz	YJRZVHGGGVXCQO-UHFFFAOYSA-N	1	0	358.438	1.991	20	30		FDEDRO
C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCC1	ZINC001105560866	839971759	/nfs/dbraw/zinc/97/17/59/839971759.db2.gz	DRTKYIQPZANAQF-GVDBMIGSSA-N	1	0	363.502	1.736	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2C2CC2)CCC1	ZINC001105568761	839978159	/nfs/dbraw/zinc/97/81/59/839978159.db2.gz	YDVPFCASBVXZFT-IPMKNSEASA-N	1	0	371.525	1.923	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)F)[C@H]2C(C)C)C[C@H]1O	ZINC001105585486	839994729	/nfs/dbraw/zinc/99/47/29/839994729.db2.gz	QHNQLDYLLCRBRQ-JEWRLFTDSA-N	1	0	356.482	1.903	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccco3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105588104	840050504	/nfs/dbraw/zinc/05/05/04/840050504.db2.gz	QWPJSWGTBFTZJU-CIWUYKSXSA-N	1	0	360.454	1.509	20	30		FDEDRO
CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1	ZINC000897630934	840094120	/nfs/dbraw/zinc/09/41/20/840094120.db2.gz	LVXIHMGYVPLUON-UHFFFAOYSA-N	1	0	372.444	1.790	20	30		FDEDRO
CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cnn(C)c1C#N	ZINC000476191866	840155919	/nfs/dbraw/zinc/15/59/19/840155919.db2.gz	MROOJNDOIPNWKF-UHFFFAOYSA-N	1	0	368.441	1.695	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[C@@H]2CC(C)(C)CO2)CC1	ZINC000897675036	840218467	/nfs/dbraw/zinc/21/84/67/840218467.db2.gz	PBGVFVJBGRCXCU-MRXNPFEDSA-N	1	0	351.491	1.465	20	30		FDEDRO
Cc1c(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)cnn1CCC#N	ZINC000897817093	840439880	/nfs/dbraw/zinc/43/98/80/840439880.db2.gz	YZSCTPUXQRQPOV-QGZVFWFLSA-N	1	0	353.426	1.924	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]C3(C(=O)N4CCOCC4)CCCCC3)cnc12	ZINC000897893754	840549303	/nfs/dbraw/zinc/54/93/03/840549303.db2.gz	YQGRUHGJEAQMFR-UHFFFAOYSA-N	1	0	368.441	1.252	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)n1	ZINC000841995821	840550817	/nfs/dbraw/zinc/55/08/17/840550817.db2.gz	NJRSQGPHBWMUGX-QAQDUYKDSA-N	1	0	361.490	1.439	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105594744	840580302	/nfs/dbraw/zinc/58/03/02/840580302.db2.gz	WLBPGJUMLXJNAM-HNBVOPMISA-N	1	0	360.502	1.815	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1	ZINC000898045104	840685563	/nfs/dbraw/zinc/68/55/63/840685563.db2.gz	GFCRULRAZGUPML-BQFCYCMXSA-N	1	0	372.469	1.216	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccon3)[C@H]2C(C)C)C[C@H]1O	ZINC001105601440	841033253	/nfs/dbraw/zinc/03/32/53/841033253.db2.gz	YNHPTPMRJYRHJL-VXNCWWDNSA-N	1	0	363.458	1.457	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1	ZINC000667578092	844605686	/nfs/dbraw/zinc/60/56/86/844605686.db2.gz	IDNACFJMDNGPKN-OAHLLOKOSA-N	1	0	374.441	1.566	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cnn(C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105604345	841183667	/nfs/dbraw/zinc/18/36/67/841183667.db2.gz	TWUGTPOWGPORNF-HNBVOPMISA-N	1	0	360.502	1.505	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COC(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105607741	841233526	/nfs/dbraw/zinc/23/35/26/841233526.db2.gz	WYZGFUPJVJWWAQ-JYBIWHBTSA-N	1	0	368.518	1.580	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C)c1	ZINC000989801677	841471850	/nfs/dbraw/zinc/47/18/50/841471850.db2.gz	ULVOIWVGMMZEMX-RKVPGOIHSA-N	1	0	354.454	1.266	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)[C@@]34CC[N@H+](C3)CCC4)[C@@H]2C)c1	ZINC000989801698	841472110	/nfs/dbraw/zinc/47/21/10/841472110.db2.gz	VFXBMPPUWLTHPG-YWMUFLPLSA-N	1	0	366.465	1.268	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3n[nH]c(C)c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105610194	841596390	/nfs/dbraw/zinc/59/63/90/841596390.db2.gz	IQMCMZQABQSJFY-ZTRFORPCSA-N	1	0	358.486	1.630	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(N)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105611911	841920711	/nfs/dbraw/zinc/92/07/11/841920711.db2.gz	WINPQFSAMZSORM-SMOSDQRPSA-N	1	0	365.518	1.574	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCCCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105612246	841975833	/nfs/dbraw/zinc/97/58/33/841975833.db2.gz	YVBSLIOQVAJWGX-HNBVOPMISA-N	1	0	350.503	1.793	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCCCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105612247	841977734	/nfs/dbraw/zinc/97/77/34/841977734.db2.gz	YVBSLIOQVAJWGX-IZBJGVDFSA-N	1	0	350.503	1.793	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C	ZINC000476856196	842184894	/nfs/dbraw/zinc/18/48/94/842184894.db2.gz	LUPAAAGJDTVUBM-LSDHHAIUSA-N	1	0	361.490	1.260	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)nn1	ZINC000424746734	842204743	/nfs/dbraw/zinc/20/47/43/842204743.db2.gz	FCIKCZJSZLBKOO-IAGOWNOFSA-N	1	0	355.442	1.219	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc(=O)[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105615535	842231282	/nfs/dbraw/zinc/23/12/82/842231282.db2.gz	WVFFPRDYXCRTEH-QQTQMKHKSA-N	1	0	357.454	1.390	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnn3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105618798	842234427	/nfs/dbraw/zinc/23/44/27/842234427.db2.gz	ARMCREKPPFAGPR-UIXUWTQFSA-N	1	0	358.486	1.506	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)ncn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105619320	842237124	/nfs/dbraw/zinc/23/71/24/842237124.db2.gz	IZDCONFOARMZQS-XSYGEPLQSA-N	1	0	356.470	1.388	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(OC)no3)[C@H]2C(C)C)C[C@H]1O	ZINC001105619196	842237134	/nfs/dbraw/zinc/23/71/34/842237134.db2.gz	HOEXCSWXTJMZTB-XNWVLMOPSA-N	1	0	363.458	1.839	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)c2c[nH]c(C#N)c2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCF)C2	ZINC001105622595	842248606	/nfs/dbraw/zinc/24/86/06/842248606.db2.gz	DHOAILXUDMXZGH-VXIBKDFQSA-N	1	0	362.449	1.826	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3(OC)CCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105628950	842261913	/nfs/dbraw/zinc/26/19/13/842261913.db2.gz	ZEELSCDCFZITEE-HNBVOPMISA-N	1	0	362.514	1.935	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn4c3CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001105631570	842264894	/nfs/dbraw/zinc/26/48/94/842264894.db2.gz	DUQVQFAPMJROJK-RDPOXOKHSA-N	1	0	370.497	1.432	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)ncn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105636854	842268852	/nfs/dbraw/zinc/26/88/52/842268852.db2.gz	FLDNBMSHEDNYPD-CIWUYKSXSA-N	1	0	358.486	1.332	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=C)Cl)C2)[C@@H]1C(C)C	ZINC001105633781	842283280	/nfs/dbraw/zinc/28/32/80/842283280.db2.gz	WVLWCXLZHXOPPG-FPAYPSAMSA-N	1	0	368.905	1.745	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cncc(C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105643097	842328504	/nfs/dbraw/zinc/32/85/04/842328504.db2.gz	SFRGNHCFMLVAFQ-UGESXGAOSA-N	1	0	369.509	1.922	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CCOC)C3)[C@H]2C(C)C)C1	ZINC001105656785	842488670	/nfs/dbraw/zinc/48/86/70/842488670.db2.gz	TWPQTUNGNNGLKL-VIPLHTEESA-N	1	0	350.503	1.955	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3cn[nH]c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105656178	842491065	/nfs/dbraw/zinc/49/10/65/842491065.db2.gz	NLRGKHWQTSWMCJ-JYBIWHBTSA-N	1	0	358.486	1.332	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnoc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105656185	842491132	/nfs/dbraw/zinc/49/11/32/842491132.db2.gz	NMJLFPJHJMZADU-HBXLWWENSA-N	1	0	359.470	1.840	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3cn[nH]n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105657148	842491586	/nfs/dbraw/zinc/49/15/86/842491586.db2.gz	XCKWCTZOWGRLPB-FPAYPSAMSA-N	1	0	361.490	1.280	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnoc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105657614	842495212	/nfs/dbraw/zinc/49/52/12/842495212.db2.gz	ZRKYDEMNVXEAPQ-QQTQMKHKSA-N	1	0	359.470	1.840	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1	ZINC001060037572	842504002	/nfs/dbraw/zinc/50/40/02/842504002.db2.gz	IQGHKIFEQYZJCB-KURKYZTESA-N	1	0	365.518	1.664	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc(C)nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105664448	842904970	/nfs/dbraw/zinc/90/49/70/842904970.db2.gz	YIYOZNDDVYZULC-WERVVEIQSA-N	1	0	370.497	1.696	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH]nc3C3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105665588	843001660	/nfs/dbraw/zinc/00/16/60/843001660.db2.gz	ABSGDOLHOIEDSX-PLOVASNDSA-N	1	0	370.497	1.890	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH]nc3C3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105665590	843004793	/nfs/dbraw/zinc/00/47/93/843004793.db2.gz	ABSGDOLHOIEDSX-VGUOSERISA-N	1	0	370.497	1.890	20	30		FDEDRO
C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@@H]3CCC[C@H]3C#N)c2)CC1	ZINC000461776299	843151371	/nfs/dbraw/zinc/15/13/71/843151371.db2.gz	XSUXLOCVTITYMG-FUHWJXTLSA-N	1	0	369.469	1.181	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3cnccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105666746	843310731	/nfs/dbraw/zinc/31/07/31/843310731.db2.gz	JBBORQFXKJUCQV-VURPSTOHSA-N	1	0	370.497	1.399	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc(OC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667006	843439448	/nfs/dbraw/zinc/43/94/48/843439448.db2.gz	MPROSTHTYWTZCE-VGUOSERISA-N	1	0	371.481	1.693	20	30		FDEDRO
O=C(NC[C@@H]1CCC[NH2+]1)C(=O)Nc1cccc(C#Cc2cccs2)c1	ZINC000667292073	843552831	/nfs/dbraw/zinc/55/28/31/843552831.db2.gz	NXLNGUFSYYLAIO-INIZCTEOSA-N	1	0	353.447	1.955	20	30		FDEDRO
N#CCN1CCC[C@@H](CNC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)C1	ZINC000478315306	843686432	/nfs/dbraw/zinc/68/64/32/843686432.db2.gz	VNIOIOVBDWPNQG-PMACEKPBSA-N	1	0	370.497	1.629	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCc3cccnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105668279	843782253	/nfs/dbraw/zinc/78/22/53/843782253.db2.gz	IXDMFXJKONXYMA-VURPSTOHSA-N	1	0	371.481	1.198	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCn3ccnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105673699	845414347	/nfs/dbraw/zinc/41/43/47/845414347.db2.gz	OEMIMBJVJBFWOO-LFGUQSLTSA-N	1	0	360.502	1.815	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCC(N)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105674488	845496220	/nfs/dbraw/zinc/49/62/20/845496220.db2.gz	YAMVUGAYENTHNM-OHDICMOHSA-N	1	0	351.491	1.184	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@H+](CC(=O)NC1CC1)CC2	ZINC000990745948	845540423	/nfs/dbraw/zinc/54/04/23/845540423.db2.gz	ZQZMMENECXCNGA-YLAKUSLOSA-N	1	0	361.486	1.359	20	30		FDEDRO
N#Cc1cccc([C@@H](NC(=O)C2C[NH+]([C@H]3CCOC3)C2)C(F)(F)F)c1	ZINC000899186918	845921635	/nfs/dbraw/zinc/92/16/35/845921635.db2.gz	NQRYOMZHYFEWND-LSDHHAIUSA-N	1	0	353.344	1.999	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccoc2CC(N)=O)CCN1Cc1cccc(C#N)c1	ZINC001088821281	846174669	/nfs/dbraw/zinc/17/46/69/846174669.db2.gz	LZWPQAKCAAHUCD-DYVFJYSZSA-N	1	0	366.421	1.572	20	30		FDEDRO
C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H](O)C1(O)CCC1	ZINC000899868150	846796375	/nfs/dbraw/zinc/79/63/75/846796375.db2.gz	WTTLJYFFPXYIIO-OAHLLOKOSA-N	1	0	366.531	1.861	20	30		FDEDRO
C=CCOC[C@@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)C(=O)OC	ZINC000481763208	846877729	/nfs/dbraw/zinc/87/77/29/846877729.db2.gz	NVSKMDQUXOPCES-QGZVFWFLSA-N	1	0	355.394	1.721	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCC(C)(C)CC2)C[C@@H]1O	ZINC001083535837	846922865	/nfs/dbraw/zinc/92/28/65/846922865.db2.gz	PGAXCYGACJHEQQ-QYZOEREBSA-N	1	0	361.530	1.462	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(=O)n(CCOC)n3)[C@@H]2C1	ZINC001076012646	847027019	/nfs/dbraw/zinc/02/70/19/847027019.db2.gz	QTUXIOYIDHLVFK-DOTOQJQBSA-N	1	0	360.458	1.002	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C)c(C)cn4)[C@@H]3C2)C1=O	ZINC001076075837	847216016	/nfs/dbraw/zinc/21/60/16/847216016.db2.gz	QMLZKJFQHGGYGY-QXAKKESOSA-N	1	0	368.481	1.632	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cncc(-n4ccnn4)c3)[C@@H]2C1	ZINC001076087009	847228576	/nfs/dbraw/zinc/22/85/76/847228576.db2.gz	CPURLIQQRVREIA-MAUKXSAKSA-N	1	0	352.442	1.775	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4csc(C)n4)[C@@H]3C2)C1=O	ZINC001076170086	847448388	/nfs/dbraw/zinc/44/83/88/847448388.db2.gz	PRGHULROIHOHMA-CWRNSKLLSA-N	1	0	360.483	1.385	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+](CCn4nc(C)nc4C)C[C@H]32)c1	ZINC001076223073	847589672	/nfs/dbraw/zinc/58/96/72/847589672.db2.gz	GWWSSJWHRJCNHA-PKOBYXMFSA-N	1	0	364.453	1.118	20	30		FDEDRO
C=C(Br)CN1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1	ZINC001076240244	847626569	/nfs/dbraw/zinc/62/65/69/847626569.db2.gz	QTLIHVBKFAMBCW-SOUVJXGZSA-N	1	0	356.308	1.912	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@H]21	ZINC001076263714	847721237	/nfs/dbraw/zinc/72/12/37/847721237.db2.gz	QUBLOAHOQLDMMV-SVGFKBNWSA-N	1	0	364.877	1.660	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(OC)cc4)C[C@H]32)nn1	ZINC001076334932	847878814	/nfs/dbraw/zinc/87/88/14/847878814.db2.gz	QNHJZSRADPXYNH-QFBILLFUSA-N	1	0	367.453	1.819	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](CC4CC(OCC)C4)C[C@H]32)nn1	ZINC001076336151	847881790	/nfs/dbraw/zinc/88/17/90/847881790.db2.gz	MBZTVBYOHFWILI-VLWBHCEFSA-N	1	0	359.474	1.426	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCN(C)C4=O)C[C@H]32)cc1	ZINC001076336500	847884604	/nfs/dbraw/zinc/88/46/04/847884604.db2.gz	ZXRNURYWSOZMHF-YTQUADARSA-N	1	0	367.449	1.076	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cn(C)nc4C)C[C@H]32)nn1	ZINC001076345260	847921291	/nfs/dbraw/zinc/92/12/91/847921291.db2.gz	XDRZWLJZPBOMCD-MAUKXSAKSA-N	1	0	369.473	1.243	20	30		FDEDRO
Cn1cccc(C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)c1=O	ZINC001076473774	848233831	/nfs/dbraw/zinc/23/38/31/848233831.db2.gz	MTTDQDXHNMSWBX-PKOBYXMFSA-N	1	0	362.433	1.603	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CCO[C@@H]4CC4(F)F)C[C@H]32)cn1	ZINC001076477258	848243223	/nfs/dbraw/zinc/24/32/23/848243223.db2.gz	WWTRUKSHZOYRDL-USXIJHARSA-N	1	0	361.392	1.633	20	30		FDEDRO
CCC1([NH+]2CCOCC2)CCN(C(=O)c2cccc(C#CCO)c2)CC1	ZINC000913330969	861882675	/nfs/dbraw/zinc/88/26/75/861882675.db2.gz	MHKUCYITLFESHB-UHFFFAOYSA-N	1	0	356.466	1.747	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)CCN4CCCC4=O)[C@@H]3C2)c1	ZINC001076583467	848489721	/nfs/dbraw/zinc/48/97/21/848489721.db2.gz	SCWDZTHGKSCTAZ-RBUKOAKNSA-N	1	0	366.465	1.603	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(Cc4cnc(C)cn4)C[C@H]32)CC1	ZINC001076605570	848555608	/nfs/dbraw/zinc/55/56/08/848555608.db2.gz	HBWYXZTVWKDXQN-AZUAARDMSA-N	1	0	367.497	1.163	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(Cc4coc(C)n4)C[C@H]32)CC1	ZINC001076605735	848556977	/nfs/dbraw/zinc/55/69/77/848556977.db2.gz	QDSSILMLLPGMHN-PKOBYXMFSA-N	1	0	356.470	1.361	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C	ZINC000249159384	848704180	/nfs/dbraw/zinc/70/41/80/848704180.db2.gz	IZFAXGKUOQDTRH-CZUORRHYSA-N	1	0	358.442	1.694	20	30		FDEDRO
CCc1ccccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1	ZINC001076855832	849213763	/nfs/dbraw/zinc/21/37/63/849213763.db2.gz	PDVWYMHYOIZTSL-RTBURBONSA-N	1	0	352.438	1.466	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCc4ccc(F)cc43)C[C@H]2O)c[nH]1	ZINC001076907339	849302040	/nfs/dbraw/zinc/30/20/40/849302040.db2.gz	LPHGGDWFZAZMGY-CEXWTWQISA-N	1	0	368.412	1.878	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]2O)cc1	ZINC001077246169	850234264	/nfs/dbraw/zinc/23/42/64/850234264.db2.gz	RPEXAJAUHNDQTR-KFKAGJAMSA-N	1	0	360.454	1.453	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1O	ZINC001077281036	850387859	/nfs/dbraw/zinc/38/78/59/850387859.db2.gz	UOVNNLXPAURSHR-VAMGGRTRSA-N	1	0	370.497	1.340	20	30		FDEDRO
CC[C@H](C)n1ncc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1C	ZINC000484244138	850621443	/nfs/dbraw/zinc/62/14/43/850621443.db2.gz	LRPGHPPRBZHAIB-AWEZNQCLSA-N	1	0	362.478	1.795	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2C[NH2+]CC2(C)C)cc1	ZINC000904294418	851098630	/nfs/dbraw/zinc/09/86/30/851098630.db2.gz	CHIWJTOANDNERD-OAHLLOKOSA-N	1	0	366.487	1.613	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+]C[C@@H](O)CC3(CO)CCCC3)CC2)nc1	ZINC000905089077	851638495	/nfs/dbraw/zinc/63/84/95/851638495.db2.gz	MGHPGOJVWKNWRN-SFHVURJKSA-N	1	0	358.486	1.815	20	30		FDEDRO
C=CCSCC[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1	ZINC000905069522	851653083	/nfs/dbraw/zinc/65/30/83/851653083.db2.gz	FDZQOLMMLGGEAH-ZDUSSCGKSA-N	1	0	350.550	1.497	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1ncc2c(n1)CN(C(=O)OC(C)(C)C)C2	ZINC000905150869	851706635	/nfs/dbraw/zinc/70/66/35/851706635.db2.gz	ALKLKVMDPWGQES-UHFFFAOYSA-N	1	0	359.430	1.022	20	30		FDEDRO
C[C@H]1CN(Cc2csc(NC(=O)NCC#CC[NH+](C)C)n2)C[C@H](C)O1	ZINC000905150952	851706879	/nfs/dbraw/zinc/70/68/79/851706879.db2.gz	DMKOASXHYPTHJH-KBPBESRZSA-N	1	0	365.503	1.439	20	30		FDEDRO
C#C[C@H]([NH2+]C[C@@H](O)CC1(O)CCC(C(=O)OCC)CC1)C1CCOCC1	ZINC000905384373	851882927	/nfs/dbraw/zinc/88/29/27/851882927.db2.gz	WBQVDOOUUJCGMZ-NRGCRIOASA-N	1	0	367.486	1.240	20	30		FDEDRO
COc1cc(C(=O)NCC#CC[NH+](C)C)cc(OC)c1Br	ZINC000913515631	862296361	/nfs/dbraw/zinc/29/63/61/862296361.db2.gz	GJJDMYSXISAGAA-UHFFFAOYSA-N	1	0	355.232	1.761	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F	ZINC000905448551	851926784	/nfs/dbraw/zinc/92/67/84/851926784.db2.gz	XLNFKXYVKCLMCG-ZYHUDNBSSA-N	1	0	354.275	1.446	20	30		FDEDRO
C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NCC#CC[NH+](C)C	ZINC000913517005	862300089	/nfs/dbraw/zinc/30/00/89/862300089.db2.gz	OOBKQVVHENCZRV-SNVBAGLBSA-N	1	0	372.288	1.310	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCC2(CCOCC2)CO1	ZINC000905425964	851932561	/nfs/dbraw/zinc/93/25/61/851932561.db2.gz	RIBWQKUAEMMDBQ-ROUUACIJSA-N	1	0	360.454	1.863	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1cccc(NC(=O)CCn2ccnc2)c1	ZINC000913517766	862300777	/nfs/dbraw/zinc/30/07/77/862300777.db2.gz	OQUDMECMXCDPCP-UHFFFAOYSA-N	1	0	353.426	1.207	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1	ZINC000913519035	862303096	/nfs/dbraw/zinc/30/30/96/862303096.db2.gz	KPXJVUDUIPNZFX-UHFFFAOYSA-N	1	0	351.332	1.581	20	30		FDEDRO
C#CCN1CCC[C@@H]([NH2+]C[C@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000905462508	851963940	/nfs/dbraw/zinc/96/39/40/851963940.db2.gz	UEXNPBFKHBARPA-XLIONFOSSA-N	1	0	365.518	1.826	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)C[C@@H]1CSCCN1C(=O)OC(C)(C)C	ZINC000913519578	862303837	/nfs/dbraw/zinc/30/38/37/862303837.db2.gz	GDOCAHZEVBZRSR-CQSZACIVSA-N	1	0	355.504	1.410	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@H](O)Cc2ccc(F)cc2)c1	ZINC000905472676	851971214	/nfs/dbraw/zinc/97/12/14/851971214.db2.gz	KYYPHFMPNWQNFD-QGZVFWFLSA-N	1	0	362.426	1.664	20	30		FDEDRO
C[C@@H]1OC[C@]2(CC[C@H](C[NH2+]C[C@@H](O)COc3ccccc3C#N)O2)[C@H]1C	ZINC000905487196	851987934	/nfs/dbraw/zinc/98/79/34/851987934.db2.gz	SFZDXZXBABHLLB-OPMKJXALSA-N	1	0	360.454	1.860	20	30		FDEDRO
CC(C)(C)OC(=O)NC1CCN(CC[NH2+]C[C@@H](O)CC(C)(C)C#N)CC1	ZINC000905531429	852025059	/nfs/dbraw/zinc/02/50/59/852025059.db2.gz	ZITPWRGVZQDXRX-INIZCTEOSA-N	1	0	368.522	1.866	20	30		FDEDRO
Cc1cc(C)nc(C(=O)N[C@@H]2CN(Cc3cccc(C#N)c3)C[C@@H]2O)c1	ZINC001083592211	852044523	/nfs/dbraw/zinc/04/45/23/852044523.db2.gz	QFRBTVRVMSNZSL-MOPGFXCFSA-N	1	0	350.422	1.545	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCCN(CC)C2=O)c(OC)c1	ZINC000905549427	852050692	/nfs/dbraw/zinc/05/06/92/852050692.db2.gz	FSJMRKDMZWJPMY-IRXDYDNUSA-N	1	0	362.470	1.764	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1C#N	ZINC000905589745	852080984	/nfs/dbraw/zinc/08/09/84/852080984.db2.gz	ARRZVHZTHCSYPV-JKSUJKDBSA-N	1	0	361.442	1.897	20	30		FDEDRO
Cn1cc([C@@]2(C[NH2+]CCS(=O)(=O)c3cccc(C#N)c3)CCCO2)cn1	ZINC000905686147	852177459	/nfs/dbraw/zinc/17/74/59/852177459.db2.gz	JBSBKDMHQQZEDQ-SFHVURJKSA-N	1	0	374.466	1.361	20	30		FDEDRO
Cn1cc([C@]2(C[NH2+]CCS(=O)(=O)c3ccc(C#N)cc3)CCCO2)cn1	ZINC000905687363	852179366	/nfs/dbraw/zinc/17/93/66/852179366.db2.gz	OPHLKNIJFFFCNX-GOSISDBHSA-N	1	0	374.466	1.361	20	30		FDEDRO
C[C@]1([C@@H]2CCCN(Cn3cc4c(c(C#N)c3=O)CCC4)C2)COC(=O)N1	ZINC000905699860	852179664	/nfs/dbraw/zinc/17/96/64/852179664.db2.gz	CGSZINYYSUHBRK-AUUYWEPGSA-N	1	0	356.426	1.377	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1O	ZINC001083593099	852180987	/nfs/dbraw/zinc/18/09/87/852180987.db2.gz	DAVUPBYCAAXIQG-AQNXPRMDSA-N	1	0	370.497	1.340	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)Nc2c(C#N)nnn2Cc2ccccc2)CC1	ZINC000906009853	852535830	/nfs/dbraw/zinc/53/58/30/852535830.db2.gz	CZHFTMKRGVITCI-UHFFFAOYSA-N	1	0	354.414	1.247	20	30		FDEDRO
Cc1cc(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc(C)c1C#N	ZINC000906504292	852972305	/nfs/dbraw/zinc/97/23/05/852972305.db2.gz	DQHZARLDLQRWOV-GOSISDBHSA-N	1	0	356.470	1.848	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cn(C)nc2I)CC1	ZINC000906591259	853017639	/nfs/dbraw/zinc/01/76/39/853017639.db2.gz	CUORAOKTCKTQSX-UHFFFAOYSA-N	1	0	374.226	1.405	20	30		FDEDRO
C[NH+]1CCC(O)(CNS(=O)(=O)c2c(C#N)sc3ccccc32)CC1	ZINC000906976416	853609410	/nfs/dbraw/zinc/60/94/10/853609410.db2.gz	FOTLWFGJFUTLGP-UHFFFAOYSA-N	1	0	365.480	1.508	20	30		FDEDRO
C#Cc1ccc(S(=O)(=O)N2CCC(OCCC[NH+](C)C)CC2)cc1	ZINC000907026358	853714329	/nfs/dbraw/zinc/71/43/29/853714329.db2.gz	VMBBZSIZAXZTJO-UHFFFAOYSA-N	1	0	350.484	1.789	20	30		FDEDRO
O=C(c1cccc(C#CCO)c1)N1CCC(CCC[NH+]2CCOCC2)CC1	ZINC000907257827	853995245	/nfs/dbraw/zinc/99/52/45/853995245.db2.gz	GAVWMQRUQCCAJY-UHFFFAOYSA-N	1	0	370.493	1.995	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)Nc1cccc(CN2CCN(C(C)=O)CC2)c1	ZINC000907589980	854412240	/nfs/dbraw/zinc/41/22/40/854412240.db2.gz	SEJMQOMCQHNBSN-UHFFFAOYSA-N	1	0	358.486	1.797	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C	ZINC000908460466	855445519	/nfs/dbraw/zinc/44/55/19/855445519.db2.gz	UPNCLSBTIDQNQT-PBHICJAKSA-N	1	0	367.519	1.424	20	30		FDEDRO
C=CCn1c(C2CCOCC2)nnc1N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000908677891	855696169	/nfs/dbraw/zinc/69/61/69/855696169.db2.gz	MLXCICNHBVTYJE-UHFFFAOYSA-N	1	0	374.533	1.574	20	30		FDEDRO
C#CCCCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC=C	ZINC000908723448	855702970	/nfs/dbraw/zinc/70/29/70/855702970.db2.gz	VKTJWWPUBCODSF-UHFFFAOYSA-N	1	0	370.501	1.164	20	30		FDEDRO
C=CCn1c(-c2cccnn2)nnc1N1CC[NH+](CCOC(C)C)CC1	ZINC000908702203	855705441	/nfs/dbraw/zinc/70/54/41/855705441.db2.gz	NWOLEBFYWZJJAF-UHFFFAOYSA-N	1	0	357.462	1.468	20	30		FDEDRO
C=CCn1c(-c2ccc(=O)n(C)c2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1	ZINC000908740362	855737060	/nfs/dbraw/zinc/73/70/60/855737060.db2.gz	AAUXNJNSXQMLQP-INIZCTEOSA-N	1	0	370.501	1.998	20	30		FDEDRO
C=CCn1c(-c2ccc(=O)n(C)c2)nnc1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	ZINC000908746518	855746909	/nfs/dbraw/zinc/74/69/09/855746909.db2.gz	VPIYGZGOAHRTHA-BEFAXECRSA-N	1	0	354.458	1.218	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)NCc1nn(C)cc1I	ZINC000909248686	856353869	/nfs/dbraw/zinc/35/38/69/856353869.db2.gz	JCXSNOBKLQPNMQ-UHFFFAOYSA-N	1	0	362.215	1.149	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)COC(=O)C2(C#N)CCSCC2)CC1	ZINC000909752148	856529373	/nfs/dbraw/zinc/52/93/73/856529373.db2.gz	VOGQCEQCSVAZOB-UHFFFAOYSA-N	1	0	353.488	1.556	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1	ZINC000938281209	856933207	/nfs/dbraw/zinc/93/32/07/856933207.db2.gz	YENRNAZYCJBDEF-OTWHNJEPSA-N	1	0	371.481	1.670	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCCC[C@@H]1C1(C[NH3+])CCC1	ZINC000910952315	857924080	/nfs/dbraw/zinc/92/40/80/857924080.db2.gz	JLVMMIRZPGBDGX-BBWFWOEESA-N	1	0	363.502	1.594	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2COc3ccc(Cl)cc32)[C@@H](O)C1	ZINC001083641164	858006605	/nfs/dbraw/zinc/00/66/05/858006605.db2.gz	BIUKMKJHRMZUFI-XHSDSOJGSA-N	1	0	350.846	1.944	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1	ZINC000911077116	858120184	/nfs/dbraw/zinc/12/01/84/858120184.db2.gz	CIESOIFWKLAFAW-RYQLBKOJSA-N	1	0	362.518	1.275	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CC[NH2+]CCC12CCOCC2)c1ccc(C#N)cc1	ZINC000911134393	858199606	/nfs/dbraw/zinc/19/96/06/858199606.db2.gz	OOXKIWBEJRMILX-OAHLLOKOSA-N	1	0	370.453	1.107	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)NCC[NH2+]C2CCCCCC2)c1	ZINC000911297382	858429403	/nfs/dbraw/zinc/42/94/03/858429403.db2.gz	KTTFVLGBNXTDTR-UHFFFAOYSA-N	1	0	360.433	1.742	20	30		FDEDRO
C[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000488806101	858751892	/nfs/dbraw/zinc/75/18/92/858751892.db2.gz	UJNANXRSJVXSNU-SZVBFZGTSA-N	1	0	374.460	1.237	20	30		FDEDRO
N#Cc1ncn(CC(=O)N[C@H]2c3ccccc3CC[C@@H]2[NH+]2CCCC2)n1	ZINC000911569224	858791570	/nfs/dbraw/zinc/79/15/70/858791570.db2.gz	PTEGJPHNODGOTK-LPHOPBHVSA-N	1	0	350.426	1.418	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)[C@@H]3[NH2+]CC[C@H]4CCCC[C@H]43)CC2)c1	ZINC000911637988	858843039	/nfs/dbraw/zinc/84/30/39/858843039.db2.gz	ZLHKGFLYTJTGGJ-ZHALLVOQSA-N	1	0	353.470	1.770	20	30		FDEDRO
CC(C)C[NH2+]C1(CO)CCN(C(=O)c2cc(C#N)cc(N(C)C)c2)CC1	ZINC000912588930	859919817	/nfs/dbraw/zinc/91/98/17/859919817.db2.gz	OKLNQSMAMWTNII-UHFFFAOYSA-N	1	0	358.486	1.837	20	30		FDEDRO
C[NH+](C)CCCNS(=O)(=O)c1ccc(NCCC#N)c([N+](=O)[O-])c1	ZINC000912728286	860093513	/nfs/dbraw/zinc/09/35/13/860093513.db2.gz	VOZBCNMALJLDID-UHFFFAOYSA-N	1	0	355.420	1.150	20	30		FDEDRO
Cc1cnc(C(=O)N[C@@H]2CN(Cc3cccc(C#N)c3)C[C@@H]2O)c(C)c1	ZINC001083659334	860102127	/nfs/dbraw/zinc/10/21/27/860102127.db2.gz	UZGXQWRUVJGKFD-MSOLQXFVSA-N	1	0	350.422	1.545	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)c(CC)o2)C[C@H]1C	ZINC001106870052	881516332	/nfs/dbraw/zinc/51/63/32/881516332.db2.gz	YVZXTUXNHORHDK-BZUAXINKSA-N	1	0	359.470	1.586	20	30		FDEDRO
C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@H]1CCC[N@H+]1CCOC	ZINC000496573529	881527407	/nfs/dbraw/zinc/52/74/07/881527407.db2.gz	OQBDDBVTGYBSMW-INIZCTEOSA-N	1	0	365.474	1.970	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(CCF)CCOC	ZINC000669032447	860841001	/nfs/dbraw/zinc/84/10/01/860841001.db2.gz	KSYJKOWXQSXALH-CABCVRRESA-N	1	0	353.442	1.422	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@@H]2OCC[C@@H]2C1	ZINC000669032302	860841913	/nfs/dbraw/zinc/84/19/13/860841913.db2.gz	GVQUKHTUHNVRNB-NCOADZHNSA-N	1	0	359.474	1.615	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H]([NH+]3CCC3)C2)ccc1F	ZINC000912922379	861030250	/nfs/dbraw/zinc/03/02/50/861030250.db2.gz	KMGIDDDERMWLRF-AWEZNQCLSA-N	1	0	367.446	1.210	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccoc2C)C[C@H]1C	ZINC001105801542	863252816	/nfs/dbraw/zinc/25/28/16/863252816.db2.gz	LBCRLFPAOGWTOF-GDBMZVCRSA-N	1	0	360.458	1.648	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CCC(C)C)C[C@H]1C	ZINC001105807002	863281752	/nfs/dbraw/zinc/28/17/52/863281752.db2.gz	NVNUWOKUCRRGEL-IAGOWNOFSA-N	1	0	350.507	1.869	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C)no2)C[C@H]1C	ZINC001105815059	863351976	/nfs/dbraw/zinc/35/19/76/863351976.db2.gz	GKNOQLPWRSSKOH-GDBMZVCRSA-N	1	0	362.474	1.705	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+][C@@H]1CCN(C(C)(C)C)C1=O	ZINC001105846175	863476112	/nfs/dbraw/zinc/47/61/12/863476112.db2.gz	KYHPWZZGADPIAN-RBSFLKMASA-N	1	0	366.531	1.327	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C)n[nH]2)C[C@H]1C	ZINC001105878057	863612524	/nfs/dbraw/zinc/61/25/24/863612524.db2.gz	DXOOFAPIWOOPFD-GDBMZVCRSA-N	1	0	359.474	1.216	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1	ZINC000761003156	863661345	/nfs/dbraw/zinc/66/13/45/863661345.db2.gz	QIKFGDMGTBDHEM-UHFFFAOYSA-N	1	0	360.389	1.410	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)N2CCN(c3cc[nH+]cc3)CC2)nc1	ZINC000916521335	881709563	/nfs/dbraw/zinc/70/95/63/881709563.db2.gz	BFBQMOJZMATADZ-UHFFFAOYSA-N	1	0	351.414	1.292	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CCn2nc(C)nc2C)[C@H](C)C1	ZINC001105915009	863972853	/nfs/dbraw/zinc/97/28/53/863972853.db2.gz	OAGYENLZBDGJEY-IIDMSEBBSA-N	1	0	363.506	1.560	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CCF)[C@H](C)C1	ZINC001105915211	863973948	/nfs/dbraw/zinc/97/39/48/863973948.db2.gz	WWXINFYXCLWEAH-OWCLPIDISA-N	1	0	367.469	1.413	20	30		FDEDRO
CC[NH+]=C(NCCN1C(=O)Cc2ccccc21)N1CC[C@]2(CCOC2)C1	ZINC000158019867	863976125	/nfs/dbraw/zinc/97/61/25/863976125.db2.gz	ICQLGSJVQMGFEF-FQEVSTJZSA-N	1	0	356.470	1.654	20	30		FDEDRO
CC[NH+]=C(NCc1cccnc1-n1ccnc1)N1CC[C@@]2(CCOC2)C1	ZINC000158062773	863986664	/nfs/dbraw/zinc/98/66/64/863986664.db2.gz	BZSJADHMKCZDHQ-LJQANCHMSA-N	1	0	354.458	1.845	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C)[C@H](C)C1	ZINC001105924901	864040959	/nfs/dbraw/zinc/04/09/59/864040959.db2.gz	ZQAHRSOOZJWOLI-QLFBSQMISA-N	1	0	352.479	1.259	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(CC)CC)[C@H](C)C1	ZINC001105938631	864133662	/nfs/dbraw/zinc/13/36/62/864133662.db2.gz	VBEUZUWZRCJKTB-BZUAXINKSA-N	1	0	353.507	1.566	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)CCc2ccccc2)[C@H](C)C1	ZINC001105941854	864152166	/nfs/dbraw/zinc/15/21/66/864152166.db2.gz	NLRYFLQPWQDSJY-MISYRCLQSA-N	1	0	360.498	1.867	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)c1	ZINC001105946451	864190534	/nfs/dbraw/zinc/19/05/34/864190534.db2.gz	UEUMYGHHGBTSLF-ZMSDIMECSA-N	1	0	352.438	1.450	20	30		FDEDRO
Cc1ccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)c(F)c1	ZINC001105951912	864211366	/nfs/dbraw/zinc/21/13/66/864211366.db2.gz	MTALEKVNXBWYAX-RRFJBIMHSA-N	1	0	360.433	1.916	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)/C=C\C(C)(C)C)C[C@H]1C	ZINC001105955267	864223128	/nfs/dbraw/zinc/22/31/28/864223128.db2.gz	CLUHQRMRCCPDKC-AZJURWTESA-N	1	0	364.490	1.285	20	30		FDEDRO
C=C(CNC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)c1ccccc1	ZINC000669586497	864264633	/nfs/dbraw/zinc/26/46/33/864264633.db2.gz	TWRTXTBSMIDAMC-HKUYNNGSSA-N	1	0	370.497	1.990	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCOC2)C[C@H]1C	ZINC001105969974	864274861	/nfs/dbraw/zinc/27/48/61/864274861.db2.gz	VBRKEWCZOHGJOC-KZNAEPCWSA-N	1	0	363.502	1.298	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccon2)[C@H](C)C1	ZINC001105984534	864341575	/nfs/dbraw/zinc/34/15/75/864341575.db2.gz	NWWGTWHBUZUWEP-HUUCEWRRSA-N	1	0	364.446	1.280	20	30		FDEDRO
CC(C)[C@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC001105985029	864345751	/nfs/dbraw/zinc/34/57/51/864345751.db2.gz	AUNRVAKZTAZPMN-IJEWVQPXSA-N	1	0	359.474	1.345	20	30		FDEDRO
CCN(C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C)C1CC1	ZINC001105989053	864379157	/nfs/dbraw/zinc/37/91/57/864379157.db2.gz	MWWSPIVBWPQHAT-UKRRQHHQSA-N	1	0	357.458	1.195	20	30		FDEDRO
C[C@H](NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C)C1CC1	ZINC001105989266	864379313	/nfs/dbraw/zinc/37/93/13/864379313.db2.gz	VBQLVZQDGOZYQI-DVOMOZLQSA-N	1	0	357.458	1.099	20	30		FDEDRO
CC(C)CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC001105989309	864383379	/nfs/dbraw/zinc/38/33/79/864383379.db2.gz	WYSSUQQKVIRODM-IJEWVQPXSA-N	1	0	359.474	1.345	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCCc3ccccc32)[C@H](C)C1	ZINC001106034262	864910960	/nfs/dbraw/zinc/91/09/60/864910960.db2.gz	AVUMHSUVZXKSAL-POAQFYNOSA-N	1	0	367.493	1.888	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCc3ccccc32)[C@H](C)C1	ZINC001106034370	864911323	/nfs/dbraw/zinc/91/13/23/864911323.db2.gz	CEHJVIASBZGGHI-SZVBFZGTSA-N	1	0	353.466	1.498	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc3c(c2)nnn3C)[C@@H]1C	ZINC001088868259	864999926	/nfs/dbraw/zinc/99/99/26/864999926.db2.gz	TTZIJKKUIBBJIE-RGPZOAQRSA-N	1	0	369.469	1.638	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CC(F)F)[C@H](C)C1	ZINC001106058761	865065483	/nfs/dbraw/zinc/06/54/83/865065483.db2.gz	HSRCLTVKRPZKIJ-XNJGSVPQSA-N	1	0	371.432	1.054	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2cn(CC3CC3)nn2)[C@H](C)C1	ZINC001106058805	865067204	/nfs/dbraw/zinc/06/72/04/865067204.db2.gz	IYFQZNAMHMVUCO-OGWOLHLISA-N	1	0	361.490	1.199	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2cc3n(n2)CCCC3)[C@H](C)C1	ZINC001106064839	865103599	/nfs/dbraw/zinc/10/35/99/865103599.db2.gz	KCGZUSCJOYBCOI-QINHECLXSA-N	1	0	360.502	1.731	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC2(OC)CCC2)C[C@H]1C	ZINC001106067809	865137975	/nfs/dbraw/zinc/13/79/75/865137975.db2.gz	IRVAJCFWOMPDCV-OWCLPIDISA-N	1	0	351.491	1.320	20	30		FDEDRO
Cc1nn(-c2ccccc2)cc1C[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000172124448	865464073	/nfs/dbraw/zinc/46/40/73/865464073.db2.gz	DLEQFGOOQJSXOW-HNENSFHCSA-N	1	0	351.410	1.797	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc3ncccn3n2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088934287	865549681	/nfs/dbraw/zinc/54/96/81/865549681.db2.gz	UOALQWGNBZQWCQ-PBHICJAKSA-N	1	0	360.421	1.994	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)CN(CN3CC[C@@H]([NH+]4CC=CC4)C3)C2=O)cc1	ZINC000172930951	865845606	/nfs/dbraw/zinc/84/56/06/865845606.db2.gz	KHSCWMZODWUCHY-GOSISDBHSA-N	1	0	365.437	1.226	20	30		FDEDRO
CN1C(=O)C(=C(N)NOCc2cccc([N+](=O)[O-])c2)C(=[NH2+])C12CCCC2	ZINC000063456231	865973969	/nfs/dbraw/zinc/97/39/69/865973969.db2.gz	IULNINXGBQZNHR-UHFFFAOYSA-N	1	0	359.386	1.381	20	30		FDEDRO
COc1c(C(=O)N[C@H]2CCN(Cc3cc(C#N)ccc3F)[C@@H]2C)cnn1C	ZINC001089008136	866059131	/nfs/dbraw/zinc/05/91/31/866059131.db2.gz	QGAGYDKJKQLCBN-PXAZEXFGSA-N	1	0	371.416	1.832	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cnn3ccc(C)nc23)C[C@H]1C	ZINC001106887441	881935574	/nfs/dbraw/zinc/93/55/74/881935574.db2.gz	PDGUSZLKAVXMGW-GDBMZVCRSA-N	1	0	357.458	1.538	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N(C)C2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001089062886	866431398	/nfs/dbraw/zinc/43/13/98/866431398.db2.gz	YWUCOOCMAXXAHE-OLMNPRSZSA-N	1	0	354.454	1.506	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@H](NC(=O)CSCC#N)CC2)CC[N@@H+]1C	ZINC001060669193	881996810	/nfs/dbraw/zinc/99/68/10/881996810.db2.gz	YVOZVCTYBJUBBZ-KLHDSHLOSA-N	1	0	366.531	1.375	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(C(=O)CC2CC[NH+](C)CC2)C1	ZINC000991994136	866927865	/nfs/dbraw/zinc/92/78/65/866927865.db2.gz	NCGREDKGMXZVQG-HKUYNNGSSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](Nc2ccnc(C)n2)[C@@H](n2ccnn2)C1	ZINC001089093270	866942064	/nfs/dbraw/zinc/94/20/64/866942064.db2.gz	IIAOOIGUOABVOB-OAGGEKHMSA-N	1	0	355.446	1.843	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCc2ccc(C#N)c(F)c2)CC1=O	ZINC000456848105	867102184	/nfs/dbraw/zinc/10/21/84/867102184.db2.gz	WEINPNQYWMXZPG-SJORKVTESA-N	1	0	372.444	1.646	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1	ZINC000992037391	867335918	/nfs/dbraw/zinc/33/59/18/867335918.db2.gz	DAKVTNNBZQTDHP-SZMVWBNQSA-N	1	0	363.502	1.417	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)C3C[NH+](C4CCCCC4)C3)CC2)c1	ZINC000457425286	867487782	/nfs/dbraw/zinc/48/77/82/867487782.db2.gz	DGSLIRPCFGSMPU-UHFFFAOYSA-N	1	0	353.470	1.866	20	30		FDEDRO
Cc1cc(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)ncc1C#N	ZINC000457530150	867525504	/nfs/dbraw/zinc/52/55/04/867525504.db2.gz	HYHKDMRAXYADOU-UHFFFAOYSA-N	1	0	365.437	1.483	20	30		FDEDRO
CCn1nncc1C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1	ZINC001106088688	867912790	/nfs/dbraw/zinc/91/27/90/867912790.db2.gz	CZJOXRJAURUEFL-SJLPKXTDSA-N	1	0	351.454	1.647	20	30		FDEDRO
CCn1nncc1C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccc(F)cc2)[C@H](C)C1	ZINC001106089286	867923787	/nfs/dbraw/zinc/92/37/87/867923787.db2.gz	MDIUXBQHZMXDBL-NVXWUHKLSA-N	1	0	369.444	1.787	20	30		FDEDRO
C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCc1ccc(OCC#N)cc1	ZINC000174659976	867958741	/nfs/dbraw/zinc/95/87/41/867958741.db2.gz	CKLQAVVAWLKOPO-GOSISDBHSA-N	1	0	360.458	1.841	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC(NC(=O)C2CC[NH+](C)CC2)C1	ZINC000992144975	868016946	/nfs/dbraw/zinc/01/69/46/868016946.db2.gz	NTOBDXDGBLNWMA-KXIUCKCTSA-N	1	0	363.502	1.320	20	30		FDEDRO
C=CCCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001061622151	882159120	/nfs/dbraw/zinc/15/91/20/882159120.db2.gz	MPFKDNZUFCFXSL-IXDOHACOSA-N	1	0	351.491	1.417	20	30		FDEDRO
N#Cc1ccccc1C[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[C@H]3C(N)=O)CCC[C@H]12	ZINC000992204622	868333347	/nfs/dbraw/zinc/33/33/47/868333347.db2.gz	DQJOINYMWAMZSS-NHAYFPRASA-N	1	0	352.438	1.293	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(NC(=O)[C@H]4C[C@H]4C(N)=O)CCC[C@H]23)c(F)c1	ZINC000992211698	868381983	/nfs/dbraw/zinc/38/19/83/868381983.db2.gz	RWRLZEXMSWZDHV-RPWFAHAXSA-N	1	0	370.428	1.432	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccccc2)[C@H](C)C1	ZINC001106111971	868395230	/nfs/dbraw/zinc/39/52/30/868395230.db2.gz	UKZRYTBPBISIHT-BRWVUGGUSA-N	1	0	357.454	1.348	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)n2C2CC2)[C@H](C)C1	ZINC001106112038	868400011	/nfs/dbraw/zinc/40/00/11/868400011.db2.gz	WEAWOBWIFFQNTL-IIAWOOMASA-N	1	0	359.474	1.144	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCCCC2)[C@H](C)C1	ZINC001106112116	868402519	/nfs/dbraw/zinc/40/25/19/868402519.db2.gz	XASIZUCRPUABML-IXDOHACOSA-N	1	0	363.502	1.158	20	30		FDEDRO
COC(=O)[C@@]1(c2ccccc2)CC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1	ZINC000428810989	868477587	/nfs/dbraw/zinc/47/75/87/868477587.db2.gz	YVUAIXUALYZOQQ-QRWLVFNGSA-N	1	0	355.438	1.754	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2nc(CCCC)no2)[C@H](C)C1	ZINC001106114731	868505944	/nfs/dbraw/zinc/50/59/44/868505944.db2.gz	HXJHNMREBMFXDO-HZPDHXFCSA-N	1	0	362.474	1.636	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2cc(C#N)ccc2OC)[C@H](C)C1	ZINC001106114999	868514194	/nfs/dbraw/zinc/51/41/94/868514194.db2.gz	KSYNSHIIZHJMOO-VQIMIIECSA-N	1	0	369.465	1.791	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1nccnc1C)CC2	ZINC000992239586	868548306	/nfs/dbraw/zinc/54/83/06/868548306.db2.gz	JVANRBFEZUIZFL-HGKSCXNLSA-N	1	0	356.470	1.989	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cccc3c2CCOC3)[C@H](C)C1	ZINC001106117006	868583007	/nfs/dbraw/zinc/58/30/07/868583007.db2.gz	WMJLDOGPUWCBSE-FUHIMQAGSA-N	1	0	370.493	1.982	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc3nonc3c2)[C@H](C)C1	ZINC001106117071	868583015	/nfs/dbraw/zinc/58/30/15/868583015.db2.gz	YRXJLNVQLHHBLE-IIAWOOMASA-N	1	0	356.426	1.445	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)OCCCCCC)C[C@H]1C	ZINC001106121120	868774125	/nfs/dbraw/zinc/77/41/25/868774125.db2.gz	OUIFZDUGVLIRRA-FGTMMUONSA-N	1	0	365.518	1.405	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)cc1	ZINC000464102779	868809731	/nfs/dbraw/zinc/80/97/31/868809731.db2.gz	UNKASQFHKAZBHP-GOSISDBHSA-N	1	0	364.405	1.702	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2sccc2C)C[C@H]1C	ZINC001106125816	868986942	/nfs/dbraw/zinc/98/69/42/868986942.db2.gz	DZCQYEPSEZDXBC-QBPKDAKJSA-N	1	0	373.522	1.594	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCc3scnc3C)C[C@@H]2O)cc1	ZINC001083691648	869097539	/nfs/dbraw/zinc/09/75/39/869097539.db2.gz	ZHCMUILUAUPVPM-SJORKVTESA-N	1	0	355.463	1.450	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC(NC(=O)C[NH+]2CCC(C)CC2)C1	ZINC000992420050	869304309	/nfs/dbraw/zinc/30/43/09/869304309.db2.gz	MOFBVTQTDZBIKS-HIEASXQVSA-N	1	0	363.502	1.320	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]2CC1	ZINC000946813241	882330400	/nfs/dbraw/zinc/33/04/00/882330400.db2.gz	OSNMVWIVRPPBPU-JCECYMMASA-N	1	0	363.502	1.402	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]2CC1	ZINC000946813242	882330656	/nfs/dbraw/zinc/33/06/56/882330656.db2.gz	OSNMVWIVRPPBPU-ZBRFXRBCSA-N	1	0	363.502	1.402	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)Cc2cccs2)[C@@H](n2ccnn2)C1	ZINC001128622199	882399341	/nfs/dbraw/zinc/39/93/41/882399341.db2.gz	JUCOBKFRYIGGHM-CVEARBPZSA-N	1	0	361.471	1.126	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)CC1	ZINC000914035969	870449746	/nfs/dbraw/zinc/44/97/46/870449746.db2.gz	VQXWKJYNVGYWAN-INIZCTEOSA-N	1	0	371.485	1.204	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1	ZINC000914114173	870855608	/nfs/dbraw/zinc/85/56/08/870855608.db2.gz	RBPHVPOKVUEPAA-GOSISDBHSA-N	1	0	358.486	1.191	20	30		FDEDRO
C#CCN(C(=O)NC[C@H]1CCN(CC(F)(F)F)C1)C1CC[NH+](C)CC1	ZINC000914158308	871164143	/nfs/dbraw/zinc/16/41/43/871164143.db2.gz	MOOVZBLOPKAQBK-CQSZACIVSA-N	1	0	360.424	1.610	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C2CC2)[C@H](C)C1	ZINC001106147014	871403485	/nfs/dbraw/zinc/40/34/85/871403485.db2.gz	RUEMNCWGEMTEMR-AHCXZYCDSA-N	1	0	363.502	1.273	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc(F)c2C)C[C@H]1C	ZINC001106156637	871462253	/nfs/dbraw/zinc/46/22/53/871462253.db2.gz	HUEMZYNWSZCQEX-FVQBIDKESA-N	1	0	359.445	1.570	20	30		FDEDRO
CCC(=O)N[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1	ZINC001106163891	871497767	/nfs/dbraw/zinc/49/77/67/871497767.db2.gz	ARFJRTZNLCBNRM-MGPQQGTHSA-N	1	0	362.499	1.719	20	30		FDEDRO
CCC(=O)N[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1	ZINC001106164410	871500319	/nfs/dbraw/zinc/50/03/19/871500319.db2.gz	LHEQLIIEJBLLNJ-IIDMSEBBSA-N	1	0	356.470	1.657	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1	ZINC001106176892	871608880	/nfs/dbraw/zinc/60/88/80/871608880.db2.gz	CRTKLJYYSUEKGJ-TZMCWYRMSA-N	1	0	356.898	1.474	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)C(=C)Cl)C[C@H]1C	ZINC001106179473	871637745	/nfs/dbraw/zinc/63/77/45/871637745.db2.gz	RYZXTBFJAZODLV-VNHYZAJKSA-N	1	0	353.894	1.587	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@H](CC)c2ccccc2OCC(=O)N(C)C)C1=O	ZINC000499600125	871686270	/nfs/dbraw/zinc/68/62/70/871686270.db2.gz	KLKIUGWDTZMMOC-SJORKVTESA-N	1	0	359.470	1.981	20	30		FDEDRO
C[NH+](C)[C@@H](C(=O)N1C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@]2(C)C1)C1CC1	ZINC000992755146	871916040	/nfs/dbraw/zinc/91/60/40/871916040.db2.gz	CEJAJCZZJFYQMR-XAUMDUMWSA-N	1	0	369.469	1.147	20	30		FDEDRO
C#CCN(C(=O)NCc1cccc(C(=O)NCC)c1)C1CC[NH+](C)CC1	ZINC000914224975	871919518	/nfs/dbraw/zinc/91/95/18/871919518.db2.gz	YTVHJQWBXPGPAN-UHFFFAOYSA-N	1	0	356.470	1.675	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)C2(NC(C)=O)CCCCC2)[C@H](OC)C1	ZINC001212483346	871992884	/nfs/dbraw/zinc/99/28/84/871992884.db2.gz	HERDGQDNIPNEGW-IAGOWNOFSA-N	1	0	351.491	1.607	20	30		FDEDRO
C#CC[C@@H](CO)NC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1	ZINC000914270905	872098540	/nfs/dbraw/zinc/09/85/40/872098540.db2.gz	ITJYXKJEOAOYDX-FUHWJXTLSA-N	1	0	359.470	1.906	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1	ZINC000914270906	872098992	/nfs/dbraw/zinc/09/89/92/872098992.db2.gz	ITJYXKJEOAOYDX-SJLPKXTDSA-N	1	0	359.470	1.906	20	30		FDEDRO
CC(C)(C#N)CS(=O)(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO	ZINC000914299544	872232718	/nfs/dbraw/zinc/23/27/18/872232718.db2.gz	VJCRITOTWYXTTR-IRXDYDNUSA-N	1	0	365.499	1.339	20	30		FDEDRO
C#CC[C@H](CO)[NH2+]Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000922141715	872408322	/nfs/dbraw/zinc/40/83/22/872408322.db2.gz	XRWCSPHTDIIYIQ-HUUCEWRRSA-N	1	0	363.462	1.324	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]2C)cc1	ZINC000994405369	882616745	/nfs/dbraw/zinc/61/67/45/882616745.db2.gz	NTDJNBXEMDXJEO-NSISKUIASA-N	1	0	367.493	1.977	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001033491101	882620730	/nfs/dbraw/zinc/62/07/30/882620730.db2.gz	ZXPLCAYKFGHJAK-JENIJYKNSA-N	1	0	354.454	1.157	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1	ZINC001003087133	872526698	/nfs/dbraw/zinc/52/66/98/872526698.db2.gz	MRPNUUMPGADTLO-KURKYZTESA-N	1	0	363.502	1.273	20	30		FDEDRO
C#CCN(C(=O)NCC(=O)N(CC)Cc1ccccc1)C1CC[NH+](C)CC1	ZINC000914368289	872556298	/nfs/dbraw/zinc/55/62/98/872556298.db2.gz	MTJUOUNPKRJTRR-UHFFFAOYSA-N	1	0	370.497	1.774	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC001003161405	872703165	/nfs/dbraw/zinc/70/31/65/872703165.db2.gz	RDYPWSTZNZFEHY-ILOCAZANSA-N	1	0	369.469	1.478	20	30		FDEDRO
O=C(N[C@@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@@H]1O)[C@H]1C[C@H]2C[C@H]2C1	ZINC001083714411	872808689	/nfs/dbraw/zinc/80/86/89/872808689.db2.gz	OYSYPNVMUXUICY-AKKLJKOSSA-N	1	0	358.869	1.899	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)nc(C)c2)C[C@H]1C	ZINC001106182366	873030425	/nfs/dbraw/zinc/03/04/25/873030425.db2.gz	RGIGNEJWIIUVSC-RPVQJOFSSA-N	1	0	356.470	1.134	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c(C)cccc2C)C[C@H]1C	ZINC001106187365	873190985	/nfs/dbraw/zinc/19/09/85/873190985.db2.gz	GYDZEBCZSDJLAC-GUDVDZBRSA-N	1	0	369.509	1.668	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1	ZINC001003393833	873273673	/nfs/dbraw/zinc/27/36/73/873273673.db2.gz	RSZQGUDFNKMXFG-MSOLQXFVSA-N	1	0	368.437	1.504	20	30		FDEDRO
CC[N@H+](CCNC(=O)N1C[C@@H](C)N(CC#N)[C@H](C)C1)CCC(F)(F)F	ZINC000922186823	873572884	/nfs/dbraw/zinc/57/28/84/873572884.db2.gz	BNUAMHJBAMRCPF-ZIAGYGMSSA-N	1	0	363.428	1.888	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](C1CC1)[NH+](C)C	ZINC001003501595	873610964	/nfs/dbraw/zinc/61/09/64/873610964.db2.gz	QMYSEXQOYUZLQV-VXIBKDFQSA-N	1	0	370.497	1.876	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@H+]1CC[C@@H](C)C1	ZINC001003501959	873611627	/nfs/dbraw/zinc/61/16/27/873611627.db2.gz	USCHNXYNHYHMRX-TVFCKZIOSA-N	1	0	370.497	1.878	20	30		FDEDRO
Cc1onc(CC(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)c1C#N	ZINC000499688070	873708077	/nfs/dbraw/zinc/70/80/77/873708077.db2.gz	ZBZUAVVZYJDJSQ-UHFFFAOYSA-N	1	0	355.398	1.926	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@]2(C)C1	ZINC000993039759	873837064	/nfs/dbraw/zinc/83/70/64/873837064.db2.gz	KBPJZJFFTLMDPN-WWMYMODYSA-N	1	0	370.497	1.689	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NCCC[NH+](CC)CC)ccc1F	ZINC000914457843	873928812	/nfs/dbraw/zinc/92/88/12/873928812.db2.gz	WHBOIGRBGXOGST-UHFFFAOYSA-N	1	0	371.478	1.752	20	30		FDEDRO
CCn1nc(C(=O)N2C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C2)cc1C1CC1	ZINC001106229225	874011330	/nfs/dbraw/zinc/01/13/30/874011330.db2.gz	LDGGCYMMTORVMQ-NVXWUHKLSA-N	1	0	358.486	1.728	20	30		FDEDRO
COCc1noc(CN2CC[NH+](CCCC3(C#N)CCOCC3)CC2)n1	ZINC000499712085	874077010	/nfs/dbraw/zinc/07/70/10/874077010.db2.gz	ZZMTVCOREBTXNO-UHFFFAOYSA-N	1	0	363.462	1.434	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]CCN2CCCC2=O)[C@H](C)C1	ZINC001106252247	874144945	/nfs/dbraw/zinc/14/49/45/874144945.db2.gz	IGQBYBGUJYALEP-IAGOWNOFSA-N	1	0	358.486	1.594	20	30		FDEDRO
COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC3(C)C)C2)cc1C#N	ZINC001077534084	874276673	/nfs/dbraw/zinc/27/66/73/874276673.db2.gz	RMUWLTZOKAQKHO-BRWVUGGUSA-N	1	0	357.454	1.664	20	30		FDEDRO
C[C@@H]1CN(C(=O)C/C=C\Cc2ccccc2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106278092	874361580	/nfs/dbraw/zinc/36/15/80/874361580.db2.gz	XVWYYYSGWIWWEQ-ZMGAVLDPSA-N	1	0	368.481	1.499	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106294750	874562611	/nfs/dbraw/zinc/56/26/11/874562611.db2.gz	ZKTFTOCLRVPHGD-SZVBFZGTSA-N	1	0	371.456	1.530	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2c(C)nc3sccn32)C[C@H]1C	ZINC001106317675	874748032	/nfs/dbraw/zinc/74/80/32/874748032.db2.gz	NMSJUCOKAMZHET-UKRRQHHQSA-N	1	0	360.483	1.652	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C[C@H]1C	ZINC001106316473	874760376	/nfs/dbraw/zinc/76/03/76/874760376.db2.gz	XJPVKMQOGSLBFG-SYQHCUMBSA-N	1	0	350.381	1.593	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ncccc2CC)C[C@H]1C	ZINC001106350808	874870944	/nfs/dbraw/zinc/87/09/44/874870944.db2.gz	UJZPHOIGASSMKQ-BFYDXBDKSA-N	1	0	358.486	1.632	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(Cl)cc2F)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106395577	875085855	/nfs/dbraw/zinc/08/58/55/875085855.db2.gz	ZMFYMJROJIARST-VXGBXAGGSA-N	1	0	366.824	1.417	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2ncc(OC)cn2)C[C@H]1C	ZINC001106403528	875132602	/nfs/dbraw/zinc/13/26/02/875132602.db2.gz	FEVVBEGIOKVORR-ZYHUDNBSSA-N	1	0	369.263	1.692	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cnc3ccc(C)cn32)C[C@H]1C	ZINC001106421190	875210602	/nfs/dbraw/zinc/21/06/02/875210602.db2.gz	XWNHUDWYOVXEJS-HZPDHXFCSA-N	1	0	369.469	1.243	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ncc3ccccn32)C[C@H]1C	ZINC001106422630	875222505	/nfs/dbraw/zinc/22/25/05/875222505.db2.gz	BSXPTDGGOPIEQC-OWCLPIDISA-N	1	0	369.469	1.323	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)[C@@H]2C1	ZINC000272269051	875357196	/nfs/dbraw/zinc/35/71/96/875357196.db2.gz	AWPQHVKOWDFULJ-GXTWGEPZSA-N	1	0	358.446	1.001	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)COCC(F)F)C[C@H]1C	ZINC001106476637	875579165	/nfs/dbraw/zinc/57/91/65/875579165.db2.gz	PTVPUZKVWLPNKD-HUUCEWRRSA-N	1	0	360.445	1.628	20	30		FDEDRO
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1	ZINC000495455398	875582073	/nfs/dbraw/zinc/58/20/73/875582073.db2.gz	OJBPLWSDJGMHNW-INIZCTEOSA-N	1	0	364.490	1.496	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2cc3c(=O)[nH]c(C)cn3n2)C[C@H]1C	ZINC001106477928	875584775	/nfs/dbraw/zinc/58/47/75/875584775.db2.gz	UDFDLDPECYRWFG-UKRRQHHQSA-N	1	0	357.458	1.595	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cncc(-n3ccnn3)c2)C[C@H]1C	ZINC001106480842	875613581	/nfs/dbraw/zinc/61/35/81/875613581.db2.gz	HGZMCNANYGDULH-NVXWUHKLSA-N	1	0	370.457	1.163	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC2(C)C)C[C@H]1C	ZINC001106554794	875942340	/nfs/dbraw/zinc/94/23/40/875942340.db2.gz	QRCQYOITPXXYLW-KFWWJZLASA-N	1	0	364.490	1.119	20	30		FDEDRO
CC(C)[C@H](C(=O)N1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@]2(C)C1)[NH+](C)C	ZINC000993197426	875953567	/nfs/dbraw/zinc/95/35/67/875953567.db2.gz	QHSZOXOYBNSZPI-MDYRTPRTSA-N	1	0	371.485	1.393	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cnccn2)[C@H](C)C1	ZINC001106564113	875964710	/nfs/dbraw/zinc/96/47/10/875964710.db2.gz	SUGOIPRYXYEEPP-BZUAXINKSA-N	1	0	359.474	1.702	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@@]3(C)C2)cc1	ZINC000993200140	875992037	/nfs/dbraw/zinc/99/20/37/875992037.db2.gz	CAQYEVXYFCXVQT-CNNODRBYSA-N	1	0	365.477	1.540	20	30		FDEDRO
CCN(CCC#N)C(=O)CN1C[C@@H](NC(=O)C2CC(C)(C)C2)[C@H](OC)C1	ZINC001212203586	876151345	/nfs/dbraw/zinc/15/13/45/876151345.db2.gz	RMXWDYRYRNLWNA-HZPDHXFCSA-N	1	0	364.490	1.000	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)CC)C[C@H]1C	ZINC001106606385	876168550	/nfs/dbraw/zinc/16/85/50/876168550.db2.gz	HLIQMYXQRXLFHY-QLFBSQMISA-N	1	0	366.506	1.507	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC2CC2)[C@H](C)C1	ZINC001106609627	876179840	/nfs/dbraw/zinc/17/98/40/876179840.db2.gz	HLKNGGRQOVWBFX-ZIAGYGMSSA-N	1	0	350.463	1.015	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCC2CN(C(=O)OC(C)(C)C)C2)CC1	ZINC000762589013	876193165	/nfs/dbraw/zinc/19/31/65/876193165.db2.gz	QKCGECQXXYNNJA-UHFFFAOYSA-N	1	0	352.479	1.803	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](C[NH2+]CCCN2C(=O)CNC2=O)[C@H](C)C1	ZINC001106628078	876270167	/nfs/dbraw/zinc/27/01/67/876270167.db2.gz	FIIJSVXPFLQBSZ-SPYBWZPUSA-N	1	0	364.490	1.215	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)NC(N)=O)[C@H](C)C2)CCC1	ZINC001106630894	876294584	/nfs/dbraw/zinc/29/45/84/876294584.db2.gz	HIPQGSADOQBXDS-MGPQQGTHSA-N	1	0	350.463	1.000	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cn(CCC(C)C)nn2)C[C@H]1C	ZINC001106658823	876445886	/nfs/dbraw/zinc/44/58/86/876445886.db2.gz	PRBSLJYXMPMGAU-IAGOWNOFSA-N	1	0	361.490	1.272	20	30		FDEDRO
Cc1cc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c(C)n1-c1ccc(C#N)cc1	ZINC000762716854	876459250	/nfs/dbraw/zinc/45/92/50/876459250.db2.gz	KXKMZPTURLDKPM-FQEVSTJZSA-N	1	0	352.438	1.762	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1C	ZINC001106673815	876504854	/nfs/dbraw/zinc/50/48/54/876504854.db2.gz	MTYDZFNZTFLSBH-HZSPNIEDSA-N	1	0	355.429	1.244	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106672279	876513648	/nfs/dbraw/zinc/51/36/48/876513648.db2.gz	NUDDCXDFPHYFLM-IEBWSBKVSA-N	1	0	365.481	1.484	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CNC(=O)c2cccnc2)C[C@H]1C	ZINC001106688046	876567387	/nfs/dbraw/zinc/56/73/87/876567387.db2.gz	FUTBGZUVZXXLEW-IUODEOHRSA-N	1	0	350.850	1.248	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@H]1C	ZINC001106693540	876574942	/nfs/dbraw/zinc/57/49/42/876574942.db2.gz	ODWSBDZYRCKUIV-JXXFODFXSA-N	1	0	369.509	1.776	20	30		FDEDRO
CCOc1ccc(N2C[C@@H](C(=O)NC3(C#N)CC[NH+](C)CC3)CC2=O)cc1	ZINC000917125756	883065135	/nfs/dbraw/zinc/06/51/35/883065135.db2.gz	BKPIQKBJHALHQF-HNNXBMFYSA-N	1	0	370.453	1.542	20	30		FDEDRO
Cc1cccc(C2N=NC(=S)N2CC(=O)NC2(C#N)CC[NH+](C)CC2)c1	ZINC000915645830	877144765	/nfs/dbraw/zinc/14/47/65/877144765.db2.gz	LGLZSGZODVDODG-UHFFFAOYSA-N	1	0	370.482	1.646	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](CCCc2nc(C)no2)CC1	ZINC001003786857	877217377	/nfs/dbraw/zinc/21/73/77/877217377.db2.gz	DLPIBZKAYIJWJI-WMZOPIPTSA-N	1	0	362.474	1.872	20	30		FDEDRO
C#CCN(C(=O)NCc1ccnc(-n2ccnc2)c1)C1CC[NH+](C)CC1	ZINC000915692701	877227828	/nfs/dbraw/zinc/22/78/28/877227828.db2.gz	QSGIXERTMHYCCQ-UHFFFAOYSA-N	1	0	352.442	1.506	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]CCOC2CCC2)[C@H](C)C1	ZINC001106733643	877273924	/nfs/dbraw/zinc/27/39/24/877273924.db2.gz	CTHVORDXIANSGM-SUMDDJOVSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]CCOCCCC)[C@H](C)C1	ZINC001106733999	877287153	/nfs/dbraw/zinc/28/71/53/877287153.db2.gz	MAIHVKDOWLBDTD-QRQLOZEOSA-N	1	0	367.534	1.958	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nc(C)ncc2Cl)C[C@H]1C	ZINC001106734965	877294693	/nfs/dbraw/zinc/29/46/93/877294693.db2.gz	CJKKEZWBCFPWEM-DGCLKSJQSA-N	1	0	365.865	1.038	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C)C2)C[C@H]1C	ZINC001106737938	877339905	/nfs/dbraw/zinc/33/99/05/877339905.db2.gz	UVMYMCULYCJFEN-GVDBMIGSSA-N	1	0	351.491	1.132	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@]2(C)C1	ZINC000993345399	877433725	/nfs/dbraw/zinc/43/37/25/877433725.db2.gz	RTGYHNQOEMWHPL-FYINFDKHSA-N	1	0	368.481	1.828	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106754805	877549878	/nfs/dbraw/zinc/54/98/78/877549878.db2.gz	HXHUHPYRFQJLPP-BHIYHBOVSA-N	1	0	353.466	1.391	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106755118	877551532	/nfs/dbraw/zinc/55/15/32/877551532.db2.gz	MJORMCVFSBZIBM-SUMDDJOVSA-N	1	0	371.456	1.530	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)[C@H](C)C#N)C[C@@]3(C)C2)CC1	ZINC000993363461	877554639	/nfs/dbraw/zinc/55/46/39/877554639.db2.gz	LGNLTEMULTWIID-MDYRTPRTSA-N	1	0	360.502	1.573	20	30		FDEDRO
C[N@H+](CCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1CC1	ZINC000272503283	877690990	/nfs/dbraw/zinc/69/09/90/877690990.db2.gz	GYMSXIAUTUINPB-KRWDZBQOSA-N	1	0	355.442	1.447	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)Cc3cn4cc(F)ccc4n3)[C@H]2C1	ZINC001083155949	912281682	/nfs/dbraw/zinc/28/16/82/912281682.db2.gz	WABIOVXFBUTRRC-DLBZAZTESA-N	1	0	358.417	1.504	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C)nc4onc(C)c43)[C@H]2C1	ZINC001083157003	912289992	/nfs/dbraw/zinc/28/99/92/912289992.db2.gz	ZEBNLBPUCPEUFZ-JKSUJKDBSA-N	1	0	354.410	1.388	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2snnc2C(C)C)C[C@H]1C	ZINC001106788902	877940919	/nfs/dbraw/zinc/94/09/19/877940919.db2.gz	QQZNVPBTOXFWCA-CHWSQXEVSA-N	1	0	365.503	1.261	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cn2c(C)cc(C)nc2=O)C[C@H]1C	ZINC001106804546	878065979	/nfs/dbraw/zinc/06/59/79/878065979.db2.gz	YZOFSYOOPHMMKB-RVKKMQEKSA-N	1	0	360.502	1.899	20	30		FDEDRO
C=C(Cl)CN1C[C@H]2OCCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@H]2C1	ZINC001083153126	912312261	/nfs/dbraw/zinc/31/22/61/912312261.db2.gz	NFTFJIPBLRYNKJ-GVDBMIGSSA-N	1	0	353.894	1.525	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](OC)c3cccc(OC)c3)[C@H]2C1	ZINC001083153311	912313962	/nfs/dbraw/zinc/31/39/62/912313962.db2.gz	UZYZLNYLYVUAFE-OTWHNJEPSA-N	1	0	360.454	1.870	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2ccc3c(c2)NC(=O)C3)[C@H](OC)C1	ZINC001212418983	912317344	/nfs/dbraw/zinc/31/73/44/912317344.db2.gz	SYGGDUHGHGUCGF-NIKGAXFTSA-N	1	0	371.481	1.894	20	30		FDEDRO
CON=Cc1ccc(C(=O)N[C@H]2CC[C@@H]([NH+]3CCN(C)CC3)CC2)cc1	ZINC000763232782	878278513	/nfs/dbraw/zinc/27/85/13/878278513.db2.gz	SXNGPTVMFBZPEU-KDURUIRLSA-N	1	0	358.486	1.955	20	30		FDEDRO
CN1C[C@@H](CC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1=O	ZINC000922486202	878317005	/nfs/dbraw/zinc/31/70/05/878317005.db2.gz	GTEBUIWVNBJIHZ-HNNXBMFYSA-N	1	0	352.442	1.817	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2OC)CC1	ZINC000946585316	878673130	/nfs/dbraw/zinc/67/31/30/878673130.db2.gz	UVRGVMHNWZTYKE-IAGOWNOFSA-N	1	0	361.486	1.171	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4ccnc4)nc3)[C@H]2C1	ZINC001083158295	912395465	/nfs/dbraw/zinc/39/54/65/912395465.db2.gz	RENGWNOXURFVBC-DLBZAZTESA-N	1	0	353.426	1.369	20	30		FDEDRO
C#CCC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@H]1CCO[C@H]1C(=C)C)CC2	ZINC001128053627	912395604	/nfs/dbraw/zinc/39/56/04/912395604.db2.gz	BLGLWHHALIBLEX-BXWFABGCSA-N	1	0	371.485	1.193	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)CC1	ZINC000922678180	878989707	/nfs/dbraw/zinc/98/97/07/878989707.db2.gz	CNHWJKZHKGDBMU-ZIAGYGMSSA-N	1	0	352.479	1.685	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+]([C@H](CC)C(N)=O)C[C@H]2CC1	ZINC000946595107	879082420	/nfs/dbraw/zinc/08/24/20/879082420.db2.gz	ISXYOUYATBXASE-ILOCAZANSA-N	1	0	363.502	1.402	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CCO[C@@H](c2ccnn2C)C1)C1CC[NH+](C)CC1	ZINC000922749651	879162059	/nfs/dbraw/zinc/16/20/59/879162059.db2.gz	QLORYVZEGSZBGY-MAUKXSAKSA-N	1	0	359.474	1.379	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)CC1	ZINC000922761992	879202327	/nfs/dbraw/zinc/20/23/27/879202327.db2.gz	DWORILYIJODKDY-KURKYZTESA-N	1	0	373.501	1.777	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cc(-n3ccnc3)ccn2)C[C@H]1C	ZINC001106830219	879340771	/nfs/dbraw/zinc/34/07/71/879340771.db2.gz	NROWGWIFEGBOFX-IAGOWNOFSA-N	1	0	369.469	1.768	20	30		FDEDRO
CS(=O)(=O)C[C@H](O)C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1	ZINC000922822617	879419081	/nfs/dbraw/zinc/41/90/81/879419081.db2.gz	NCCNSFBBZQVECJ-GOSISDBHSA-N	1	0	374.462	1.632	20	30		FDEDRO
C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCO[C@H]3c3ccnn3CC)CC[C@@H]2C1	ZINC000946631414	879910152	/nfs/dbraw/zinc/91/01/52/879910152.db2.gz	GFEMAVYPBZAFPF-AJYBTWMASA-N	1	0	370.497	1.784	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)C3CC(C)C3)[C@H](C)C2)CC1	ZINC000993884711	879965020	/nfs/dbraw/zinc/96/50/20/879965020.db2.gz	MXEFFYGNZASOEG-JGJLBUBWSA-N	1	0	359.514	1.588	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC000993866720	880025750	/nfs/dbraw/zinc/02/57/50/880025750.db2.gz	AFZGDVCZYFIZPX-SRCQZFHVSA-N	1	0	357.458	1.051	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[N@@H+](CC#CC)CC2(CCOCC2)C1	ZINC001089941343	912528288	/nfs/dbraw/zinc/52/82/88/912528288.db2.gz	HALBZLHUXGQHBG-QRVBRYPASA-N	1	0	360.498	1.978	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)[C@H](C)C1)[NH+](C)C	ZINC000993908731	880115291	/nfs/dbraw/zinc/11/52/91/880115291.db2.gz	RIIWLFDCRITDMX-CPUCHLNUSA-N	1	0	359.474	1.297	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2csc(Cl)n2)C[C@H]1C	ZINC001106838553	880358614	/nfs/dbraw/zinc/35/86/14/880358614.db2.gz	YHUXIZJDKLVDHF-IJLUTSLNSA-N	1	0	370.906	1.785	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)[C@H]3CC34CCC4)[C@H](C)C2)CC1	ZINC000994023042	880436235	/nfs/dbraw/zinc/43/62/35/880436235.db2.gz	WEBBMJUYJISQDU-BHIYHBOVSA-N	1	0	371.525	1.733	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC000994056468	880562379	/nfs/dbraw/zinc/56/23/79/880562379.db2.gz	XCFNAPSIKYUOHJ-MZMPZRCHSA-N	1	0	369.469	1.052	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)c3ccccc3)C[C@H]2C)CC1	ZINC000994136694	880896802	/nfs/dbraw/zinc/89/68/02/880896802.db2.gz	OELRROCHIBVEAN-YLJYHZDGSA-N	1	0	367.493	1.856	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CNC(=O)c2cscn2)C[C@H]1C	ZINC001106844709	880926011	/nfs/dbraw/zinc/92/60/11/880926011.db2.gz	DEPWTWRZZFULPD-ZIAGYGMSSA-N	1	0	350.488	1.523	20	30		FDEDRO
C=CCn1c(C)nn(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1=S	ZINC000763329965	881111624	/nfs/dbraw/zinc/11/16/24/881111624.db2.gz	APRYFVLHNJRWCJ-DOTOQJQBSA-N	1	0	364.563	1.824	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1C[NH2+]CC#Cc1cccc(Cl)c1	ZINC001106858351	881137708	/nfs/dbraw/zinc/13/77/08/881137708.db2.gz	GXZUPCDOAZKVFO-GDBMZVCRSA-N	1	0	371.872	1.736	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCC(=O)NCCCOC)C[C@H]1C	ZINC001106859206	881141702	/nfs/dbraw/zinc/14/17/02/881141702.db2.gz	YYZUPZAQSFEEJY-IAGOWNOFSA-N	1	0	353.507	1.570	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCCCS(N)(=O)=O)C2	ZINC001111528260	881185725	/nfs/dbraw/zinc/18/57/25/881185725.db2.gz	XZNKCIYUARQYAU-VQHPVUNQSA-N	1	0	371.547	1.912	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnn(C)c2C(F)F)C[C@H]1C	ZINC001106862793	881299110	/nfs/dbraw/zinc/29/91/10/881299110.db2.gz	SCVWUOUROICTDU-CHWSQXEVSA-N	1	0	354.401	1.305	20	30		FDEDRO
C[C@H](CC(C)(C)C#N)[NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1	ZINC000925435524	883255373	/nfs/dbraw/zinc/25/53/73/883255373.db2.gz	RLXYOQLLFKOMRB-CQSZACIVSA-N	1	0	357.520	1.878	20	30		FDEDRO
CNC(=O)CN(Cc1ccccc1)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000917366047	883354910	/nfs/dbraw/zinc/35/49/10/883354910.db2.gz	BOFDGISYLUXJIV-GOSISDBHSA-N	1	0	353.422	1.546	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](CCn2nc(C)nc2C)C1	ZINC001033955360	883583308	/nfs/dbraw/zinc/58/33/08/883583308.db2.gz	ZKYUEKGWKJRYBW-KURKYZTESA-N	1	0	361.490	1.409	20	30		FDEDRO
Cc1cccc(CCC[N@H+]2C[C@@H](NC(=O)[C@H](C)C#N)[C@@H](n3ccnn3)C2)c1	ZINC001128829553	883752755	/nfs/dbraw/zinc/75/27/55/883752755.db2.gz	GBLJGLCQKNRYQH-QRQLOZEOSA-N	1	0	366.469	1.721	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](CCCOc2ccccc2)C[C@@H]1n1ccnn1	ZINC001128830754	883757494	/nfs/dbraw/zinc/75/74/94/883757494.db2.gz	WZFZOIZCOUPAEH-JQHSSLGASA-N	1	0	368.441	1.248	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](CCCOc2ccccc2)C[C@@H]1n1ccnn1	ZINC001128830755	883757822	/nfs/dbraw/zinc/75/78/22/883757822.db2.gz	WZFZOIZCOUPAEH-NXHRZFHOSA-N	1	0	368.441	1.248	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCOC2)[C@@H](n2ccnn2)C1	ZINC001128845362	883825970	/nfs/dbraw/zinc/82/59/70/883825970.db2.gz	DREOTEUAKAIFQL-KSZLIROESA-N	1	0	361.490	1.793	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)CC1	ZINC000917867174	883883252	/nfs/dbraw/zinc/88/32/52/883883252.db2.gz	VRPOTUOQRDTEHU-INIZCTEOSA-N	1	0	374.872	1.842	20	30		FDEDRO
CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1	ZINC001034256640	884007413	/nfs/dbraw/zinc/00/74/13/884007413.db2.gz	PABUQGYLCNUGBX-KZNAEPCWSA-N	1	0	358.486	1.882	20	30		FDEDRO
C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)C1	ZINC001117893849	884027577	/nfs/dbraw/zinc/02/75/77/884027577.db2.gz	FBKQNVWTUGANMC-APWZRJJASA-N	1	0	358.417	1.183	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]CCC[C@H](C)O)[C@H](C)C1	ZINC001106890692	884065942	/nfs/dbraw/zinc/06/59/42/884065942.db2.gz	BACSHRGDXWQRNN-IXDOHACOSA-N	1	0	359.470	1.552	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](OC)C2CCC2)C[C@@H]1n1ccnn1	ZINC001128939459	884184652	/nfs/dbraw/zinc/18/46/52/884184652.db2.gz	RMLXGDJSHDYHJX-SQNIBIBYSA-N	1	0	359.474	1.238	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCn2nc(C)nc2C)C1	ZINC001034404154	884317557	/nfs/dbraw/zinc/31/75/57/884317557.db2.gz	PBMLUARXZQBDHL-KSZLIROESA-N	1	0	361.490	1.457	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001128972490	884534508	/nfs/dbraw/zinc/53/45/08/884534508.db2.gz	YXTRBSPRZSCDDH-MOPGFXCFSA-N	1	0	351.454	1.522	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1n1ccnn1	ZINC001128976040	884542983	/nfs/dbraw/zinc/54/29/83/884542983.db2.gz	GOGGUQOIGFWZGZ-MSOLQXFVSA-N	1	0	359.474	1.096	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001034642482	884601309	/nfs/dbraw/zinc/60/13/09/884601309.db2.gz	DCVSWDOKLPJYDP-QBPKDAKJSA-N	1	0	360.389	1.880	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCN2CCCC2=O)CC1	ZINC001034648498	884617060	/nfs/dbraw/zinc/61/70/60/884617060.db2.gz	JFHICCXTPIAMLR-TVFCKZIOSA-N	1	0	363.502	1.607	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1	ZINC000273354671	912861769	/nfs/dbraw/zinc/86/17/69/912861769.db2.gz	SERXJDBNKWTGBR-OAHLLOKOSA-N	1	0	374.441	1.075	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](C)[NH+]2CCCCC2)c1	ZINC000918704620	884832910	/nfs/dbraw/zinc/83/29/10/884832910.db2.gz	NOSOUIGDWZHPQR-OAHLLOKOSA-N	1	0	363.483	1.202	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC2(COC)CC2)[C@@H](n2ccnn2)C1	ZINC001128993821	884867603	/nfs/dbraw/zinc/86/76/03/884867603.db2.gz	UHVVULHGKZLDLE-ZACQAIPSSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)C2(CCOCC)CCC2)[C@@H](n2ccnn2)C1	ZINC001128993520	884886828	/nfs/dbraw/zinc/88/68/28/884886828.db2.gz	BXNTUXPPUPOXGP-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccn(C)c(=O)c2)CC1	ZINC001034737149	884943562	/nfs/dbraw/zinc/94/35/62/884943562.db2.gz	SIELQYUJAHCQIS-TVFCKZIOSA-N	1	0	359.470	1.493	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1n1ccnn1	ZINC001129014553	885124974	/nfs/dbraw/zinc/12/49/74/885124974.db2.gz	MSHFAQYDPWHFSP-JQHSSLGASA-N	1	0	359.474	1.425	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@@H]1O	ZINC001083967665	912908909	/nfs/dbraw/zinc/90/89/09/912908909.db2.gz	SLUPCUYLJXKIOL-MOPGFXCFSA-N	1	0	365.433	1.111	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1CN([C@@H](C)c2cnc(C)cn2)C[C@@H]1n1ccnn1	ZINC001129025533	885283653	/nfs/dbraw/zinc/28/36/53/885283653.db2.gz	LQRVBQDCOXOIFQ-JQHSSLGASA-N	1	0	369.473	1.836	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCc3ccccc3CC)C[C@@H]2O)cn1	ZINC001083970178	912920741	/nfs/dbraw/zinc/92/07/41/912920741.db2.gz	HOKZWEJLHKSTIO-RTWAWAEBSA-N	1	0	363.461	1.643	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CCCC2CCOCC2)[C@@H](n2ccnn2)C1	ZINC001129037824	885475741	/nfs/dbraw/zinc/47/57/41/885475741.db2.gz	AWEPMLKISMVWPX-MSOLQXFVSA-N	1	0	359.474	1.240	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cc3n(n2)CCCC3)[C@@H](n2ccnn2)C1	ZINC001129060131	885625367	/nfs/dbraw/zinc/62/53/67/885625367.db2.gz	MCNVTEALACVAJH-MSOLQXFVSA-N	1	0	369.473	1.432	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3cncc3C2)[C@@H](n2ccnn2)C1	ZINC001129080474	885689202	/nfs/dbraw/zinc/68/92/02/885689202.db2.gz	PXGPGMPHSYQUPE-JQHSSLGASA-N	1	0	369.473	1.045	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N[C@H](C)C(C)C)[C@H](C)C2)cn1	ZINC001106894448	885752528	/nfs/dbraw/zinc/75/25/28/885752528.db2.gz	MDVIWVZJPLJSAP-JFIYKMOQSA-N	1	0	370.497	1.521	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H](c2ccccc2)O1	ZINC001127498124	885781015	/nfs/dbraw/zinc/78/10/15/885781015.db2.gz	BADUDWYRSWJDMQ-MOPGFXCFSA-N	1	0	371.481	1.813	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C(C)C)[C@H](C)C2)cn1	ZINC001106894932	885825353	/nfs/dbraw/zinc/82/53/53/885825353.db2.gz	ZMVZVKGOVSLYQQ-SOLBZPMBSA-N	1	0	370.497	1.616	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)CCc2c(C)nn(C)c2C)[C@@H](n2ccnn2)C1	ZINC001129139046	885839136	/nfs/dbraw/zinc/83/91/36/885839136.db2.gz	DPZNRRIHULOXTR-MSOLQXFVSA-N	1	0	371.489	1.179	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)CC(N)=O)[C@@H](n2ccnn2)C1	ZINC001129153753	885886677	/nfs/dbraw/zinc/88/66/77/885886677.db2.gz	FABDUFKPJQBAKZ-XHSDSOJGSA-N	1	0	364.494	1.102	20	30		FDEDRO
C=CCC1(C(=O)NC[C@H]2COCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1	ZINC001061871265	885991384	/nfs/dbraw/zinc/99/13/84/885991384.db2.gz	WLWYFKKSLAQMBH-IXDOHACOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)NC(C)(C)C)[C@H](C)C2)cn1	ZINC001106896305	886021201	/nfs/dbraw/zinc/02/12/01/886021201.db2.gz	FRAAFZNPFQGICN-HLLBOEOZSA-N	1	0	370.497	1.664	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1n1ccnn1	ZINC001129189403	886113415	/nfs/dbraw/zinc/11/34/15/886113415.db2.gz	OMMZFCFUIAYCOF-NXHRZFHOSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@H](NC(=O)C[NH+](CC)CC)CC1	ZINC001060737038	886280149	/nfs/dbraw/zinc/28/01/49/886280149.db2.gz	HSDFWMDNYDCCTQ-TVFCKZIOSA-N	1	0	365.518	1.711	20	30		FDEDRO
C#CCCCCNC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1	ZINC000155112071	886280602	/nfs/dbraw/zinc/28/06/02/886280602.db2.gz	FRXQRAWHXABLAP-UHFFFAOYSA-N	1	0	364.534	1.916	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NC3CCCC3)[C@H](C)C2)nc1	ZINC001106897554	886301280	/nfs/dbraw/zinc/30/12/80/886301280.db2.gz	IDGYZZSDADVMEL-NVXWUHKLSA-N	1	0	368.481	1.419	20	30		FDEDRO
N#Cc1ccc(C[NH+]2CC3(C2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC3)cc1	ZINC001035704651	886330610	/nfs/dbraw/zinc/33/06/10/886330610.db2.gz	VRGZHAINLGDYEV-IAGOWNOFSA-N	1	0	354.410	1.648	20	30		FDEDRO
CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCO[C@H]1c1cnn(C)c1)CC2	ZINC001035724809	886376795	/nfs/dbraw/zinc/37/67/95/886376795.db2.gz	UIBAZONLBFZJSP-MOPGFXCFSA-N	1	0	370.497	1.836	20	30		FDEDRO
C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCO[C@H]1c1cnn(C)c1)CC2	ZINC001035725031	886377600	/nfs/dbraw/zinc/37/76/00/886377600.db2.gz	ZKPDACBUHFMCFA-MOPGFXCFSA-N	1	0	370.497	1.836	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CN(Cc3cccc(C#N)c3)C[C@H]2O)C1	ZINC001077553259	886380469	/nfs/dbraw/zinc/38/04/69/886380469.db2.gz	IGOAWNFDPPSYOL-XUVXKRRUSA-N	1	0	370.497	1.342	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H](c2cccs2)N2CCN(C)CC2)CC1	ZINC000919962567	886461147	/nfs/dbraw/zinc/46/11/47/886461147.db2.gz	VPVNBXNNELKKDQ-SFHVURJKSA-N	1	0	374.554	1.498	20	30		FDEDRO
C[C@@H](NS(=O)(=O)c1ccc(CCC#N)cc1)[C@H]1CN(C)CCN1C	ZINC000919975290	886461608	/nfs/dbraw/zinc/46/16/08/886461608.db2.gz	VAMGWENZTJMKOW-RHSMWYFYSA-N	1	0	350.488	1.055	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C2	ZINC000920274651	886798728	/nfs/dbraw/zinc/79/87/28/886798728.db2.gz	OHWPXBSORJCKDJ-TVFCKZIOSA-N	1	0	363.483	1.316	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ocnc2CC)[C@@H](n2ccnn2)C1	ZINC001129252941	886870100	/nfs/dbraw/zinc/87/01/00/886870100.db2.gz	NUZWXIQGNIWSLD-IMJJTQAJSA-N	1	0	358.446	1.839	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCN1C(=O)CCCC[NH+](C)C	ZINC001062290692	887040763	/nfs/dbraw/zinc/04/07/63/887040763.db2.gz	RNOJMUSUZDHTES-KURKYZTESA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)C[N@@H+](C)CCC	ZINC001062353931	887071533	/nfs/dbraw/zinc/07/15/33/887071533.db2.gz	IGGORBQGUHGTMZ-ZACQAIPSSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2[nH]c(C)nc2C)[C@@H](n2ccnn2)C1	ZINC001129271397	887099257	/nfs/dbraw/zinc/09/92/57/887099257.db2.gz	CWMSVBUYUGWKQF-MAZHCROVSA-N	1	0	357.462	1.628	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3c2snc(Cl)c2C#N)CC[N@@H+]1C	ZINC001062597327	887140049	/nfs/dbraw/zinc/14/00/49/887140049.db2.gz	AFOIVMSQQDVOLC-NOOOWODRSA-N	1	0	365.890	1.798	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC[C@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)nc1	ZINC000370186800	887158780	/nfs/dbraw/zinc/15/87/80/887158780.db2.gz	UWWOGUNMJBRKTO-DNVCBOLYSA-N	1	0	368.485	2.226	20	30		FDEDRO
N#CCCN(Cc1ccco1)C(=O)Nc1ccn(CCN2CCOCC2)n1	ZINC000494183114	887354317	/nfs/dbraw/zinc/35/43/17/887354317.db2.gz	PKNLGFCAPMVPTO-UHFFFAOYSA-N	1	0	372.429	1.756	20	30		FDEDRO
N#Cc1cc(NC[C@H]2CCC[N@H+]2CCCO)nc2ccc([N+](=O)[O-])cc12	ZINC000450594343	887641559	/nfs/dbraw/zinc/64/15/59/887641559.db2.gz	KLSPGICOBRXEPY-OAHLLOKOSA-N	1	0	355.398	2.273	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ncccc3Cl)C2)CC1	ZINC000921432374	887981215	/nfs/dbraw/zinc/98/12/15/887981215.db2.gz	OFZIMVOKAWLXBC-HNNXBMFYSA-N	1	0	361.877	1.711	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(COC)cc2)C[C@H]1OC	ZINC001212258179	888077068	/nfs/dbraw/zinc/07/70/68/888077068.db2.gz	OHLWPWDYMPYRLQ-ATZDWAIDSA-N	1	0	360.454	1.187	20	30		FDEDRO
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)C1	ZINC000923120789	888088590	/nfs/dbraw/zinc/08/85/90/888088590.db2.gz	XUFNVRWHPZUJEZ-ZACQAIPSSA-N	1	0	356.474	1.879	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC(C)C)NC(C)=O)C[C@H]1C	ZINC001106901272	888104309	/nfs/dbraw/zinc/10/43/09/888104309.db2.gz	VGXHTZXHKIIXHA-NXHRZFHOSA-N	1	0	353.507	1.424	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2c(F)ccc(OC)c2F)C[C@H]1C	ZINC001106902140	888150312	/nfs/dbraw/zinc/15/03/12/888150312.db2.gz	ZHQOQTVDPJWSIN-ZIAGYGMSSA-N	1	0	366.408	1.921	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)NCCc1ccc(C#N)cc1)C2	ZINC000923186464	888307387	/nfs/dbraw/zinc/30/73/87/888307387.db2.gz	SXHWPJGRSLVHPE-ANTGDGSKSA-N	1	0	370.497	1.880	20	30		FDEDRO
C[N@H+](CC(=O)[O-])[C@H]1CCCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000923240000	888554081	/nfs/dbraw/zinc/55/40/81/888554081.db2.gz	HJWLVIROAJTDIC-DLBZAZTESA-N	1	0	361.442	1.169	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CCC3)C2)CC1	ZINC000938593850	888872295	/nfs/dbraw/zinc/87/22/95/888872295.db2.gz	PZHPHONQIHBBCY-HSALFYBXSA-N	1	0	371.525	1.827	20	30		FDEDRO
C#CCN(C(=O)NCCN1C[C@@H]2CCCCN2C1=O)C1CC[NH+](C)CC1	ZINC000923327551	888922961	/nfs/dbraw/zinc/92/29/61/888922961.db2.gz	NMWBPOAAJXZRPN-KRWDZBQOSA-N	1	0	361.490	1.016	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1	ZINC000946891607	888972259	/nfs/dbraw/zinc/97/22/59/888972259.db2.gz	HHSFOUUROGMNJZ-IEZWGBDMSA-N	1	0	363.502	1.417	20	30		FDEDRO
CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C	ZINC000462111284	889093686	/nfs/dbraw/zinc/09/36/86/889093686.db2.gz	ZDEYEFDTMLISCQ-CQSZACIVSA-N	1	0	355.446	2.299	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1	ZINC000938716927	889144918	/nfs/dbraw/zinc/14/49/18/889144918.db2.gz	LMHZPYXKIDCNAB-LNLFQRSKSA-N	1	0	363.502	1.511	20	30		FDEDRO
C#CCCCNC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1	ZINC000180086655	889186406	/nfs/dbraw/zinc/18/64/06/889186406.db2.gz	BOTWRRBCSSWXAK-UHFFFAOYSA-N	1	0	356.470	1.685	20	30		FDEDRO
COc1cccc([C@H](CNC(=O)CNc2ccc(C#N)cn2)[NH+](C)C)c1	ZINC000498064981	889284459	/nfs/dbraw/zinc/28/44/59/889284459.db2.gz	OOMOIORBLWWSIY-KRWDZBQOSA-N	1	0	353.426	1.793	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C[C@H](C)O)C2CCCCC2)CC1	ZINC000245961483	889364566	/nfs/dbraw/zinc/36/45/66/889364566.db2.gz	DLEJYPLMZHYGSV-PKOBYXMFSA-N	1	0	364.534	1.694	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCc1ccc(F)cc1	ZINC001127605180	889512979	/nfs/dbraw/zinc/51/29/79/889512979.db2.gz	SVXONYOQFHBQTN-SJORKVTESA-N	1	0	363.433	1.129	20	30		FDEDRO
Cn1cc([C@@H]2[C@H](CNc3ncc([N+](=O)[O-])cc3C#N)CCC[N@@H+]2C)cn1	ZINC000377701776	889629508	/nfs/dbraw/zinc/62/95/08/889629508.db2.gz	KXEOVDFOWKIWLY-LRDDRELGSA-N	1	0	355.402	2.090	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CCCCCS(=O)(=O)CC	ZINC001127608761	889725758	/nfs/dbraw/zinc/72/57/58/889725758.db2.gz	FWMQDYHLCRWOJC-CVEARBPZSA-N	1	0	360.520	1.278	20	30		FDEDRO
C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(c2ncc3c(c2C#N)CCC3)C1	ZINC000425253412	889765488	/nfs/dbraw/zinc/76/54/88/889765488.db2.gz	JJNDLABNXGPXPN-CQSZACIVSA-N	1	0	365.441	1.230	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000938992103	889771909	/nfs/dbraw/zinc/77/19/09/889771909.db2.gz	CVTOPUAJUCHIRL-ATZDWAIDSA-N	1	0	353.466	1.681	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccccc1CC	ZINC001127613064	889938962	/nfs/dbraw/zinc/93/89/62/889938962.db2.gz	NCQZXUNATSOYCC-AEFFLSMTSA-N	1	0	359.470	1.875	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1CN(C(=O)Cc2[nH]cnc2C)C1	ZINC001006167722	889948303	/nfs/dbraw/zinc/94/83/03/889948303.db2.gz	WPOZQPKCVAWJEH-MRAWALMUSA-N	1	0	360.458	1.205	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1OC	ZINC001212321161	890112517	/nfs/dbraw/zinc/11/25/17/890112517.db2.gz	UPRVIHMNEQVZTG-KBAYOESNSA-N	1	0	363.502	1.487	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCCN(c3nccnc3C#N)C2)CC[N@@H+]1C	ZINC001063240685	890374267	/nfs/dbraw/zinc/37/42/67/890374267.db2.gz	BPXLAABSCVDQCA-YQQAZPJKSA-N	1	0	356.474	1.554	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1(CNC(=O)C[N@@H+](C)C(C)C)CCC1	ZINC001063346350	890472012	/nfs/dbraw/zinc/47/20/12/890472012.db2.gz	MWIJULHIPKSZJN-CVEARBPZSA-N	1	0	351.491	1.463	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC000939565053	890895757	/nfs/dbraw/zinc/89/57/57/890895757.db2.gz	MNZKPMDXIGJGBA-FHLIZLRMSA-N	1	0	354.454	1.076	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@H]2C)C1	ZINC000939996369	891592981	/nfs/dbraw/zinc/59/29/81/891592981.db2.gz	RIMYYPAVYJPZPO-BRWVUGGUSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOC)C1	ZINC001112541163	891621577	/nfs/dbraw/zinc/62/15/77/891621577.db2.gz	IZQWDIVFBKJEJC-LNLFQRSKSA-N	1	0	351.491	1.322	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccn3c[nH+]cc3c2)[nH]1	ZINC001002076635	891878244	/nfs/dbraw/zinc/87/82/44/891878244.db2.gz	IPGUODKNTOYTKR-OLMNPRSZSA-N	1	0	374.404	1.710	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1	ZINC001002149681	891992273	/nfs/dbraw/zinc/99/22/73/891992273.db2.gz	AJQUZMJRBVNQFW-KSZLIROESA-N	1	0	363.502	1.273	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)c2ccn3c[nH+]cc3c2)C1	ZINC001002216110	892239480	/nfs/dbraw/zinc/23/94/80/892239480.db2.gz	IIYMTVLYCFWQPB-MSOLQXFVSA-N	1	0	368.437	1.504	20	30		FDEDRO
CC1([NH2+]Cc2ccc(OCC#N)cc2)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1	ZINC000940327755	892276439	/nfs/dbraw/zinc/27/64/39/892276439.db2.gz	RTKNLESQBADUOM-SJORKVTESA-N	1	0	370.453	1.181	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1	ZINC000940690953	892885907	/nfs/dbraw/zinc/88/59/07/892885907.db2.gz	AOODTCPHUYBUPQ-AYBZRNKSSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1	ZINC001002460072	892956399	/nfs/dbraw/zinc/95/63/99/892956399.db2.gz	CURXJOKEBKFPSJ-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccccc2C2CCC2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106930700	893019009	/nfs/dbraw/zinc/01/90/09/893019009.db2.gz	DQCFBKXSRUVRRS-NVXWUHKLSA-N	1	0	368.481	1.892	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)CC)[C@H](C)C2)CCOCC1	ZINC001106932286	893026373	/nfs/dbraw/zinc/02/63/73/893026373.db2.gz	YIYGBVUEUVTSFJ-IAGOWNOFSA-N	1	0	365.518	1.522	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(Cl)cc2)C[C@H]1C	ZINC001106937680	893090359	/nfs/dbraw/zinc/09/03/59/893090359.db2.gz	BRJLOJACOJVPIQ-GDBMZVCRSA-N	1	0	361.873	1.316	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)C[C@H]1C	ZINC001106938366	893092834	/nfs/dbraw/zinc/09/28/34/893092834.db2.gz	TWWGGLRJFCWMCN-NVXWUHKLSA-N	1	0	365.522	1.545	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](Cc3ccncc3)C2)CC1	ZINC000672355468	893174822	/nfs/dbraw/zinc/17/48/22/893174822.db2.gz	MLDIKZCXGWGQGA-KRWDZBQOSA-N	1	0	356.470	1.239	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H](COC)C2)CC1	ZINC000672357273	893178283	/nfs/dbraw/zinc/17/82/83/893178283.db2.gz	UDVPUFYATJBNKE-INIZCTEOSA-N	1	0	351.491	1.418	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CCO)CCc2ccccc2)CC1	ZINC000672356891	893185366	/nfs/dbraw/zinc/18/53/66/893185366.db2.gz	YCTJPYLUMABMNL-UHFFFAOYSA-N	1	0	373.497	1.207	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC(c3ccccn3)CC2)CC1	ZINC000672356603	893185652	/nfs/dbraw/zinc/18/56/52/893185652.db2.gz	CUQGXFXTOJCLLH-UHFFFAOYSA-N	1	0	370.497	1.944	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nc1	ZINC000940771372	893193522	/nfs/dbraw/zinc/19/35/22/893193522.db2.gz	JBYUPBRUGCJJTN-SOLBZPMBSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)C[C@H](C)n2ccnc2)CC1	ZINC000941073478	893773571	/nfs/dbraw/zinc/77/35/71/893773571.db2.gz	CFNWSSNAJSCFFW-BBWFWOEESA-N	1	0	360.458	1.486	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)CCC[NH+](C)C)CC2	ZINC001061138080	893795326	/nfs/dbraw/zinc/79/53/26/893795326.db2.gz	VEZDBEMGWUGIRP-SJORKVTESA-N	1	0	363.502	1.370	20	30		FDEDRO
C=CC[C@H](CO)[NH2+]Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000921996069	893954082	/nfs/dbraw/zinc/95/40/82/893954082.db2.gz	VSSLPUZWJQTJFV-HUUCEWRRSA-N	1	0	365.478	1.877	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1	ZINC000941211475	894255026	/nfs/dbraw/zinc/25/50/26/894255026.db2.gz	COTPSTQWDVIXPP-SQNIBIBYSA-N	1	0	365.518	1.615	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc2c1OCCCO2	ZINC000922024089	894435541	/nfs/dbraw/zinc/43/55/41/894435541.db2.gz	GNPZSNKFIQFXNU-UHFFFAOYSA-N	1	0	364.467	1.566	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(NC(=O)OC)cc1	ZINC000922022357	894484669	/nfs/dbraw/zinc/48/46/69/894484669.db2.gz	LCJVHWMDWJAFEF-UHFFFAOYSA-N	1	0	365.455	1.583	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)CC4OCCCO4)[C@@H]3C2)c1	ZINC001084302865	913937369	/nfs/dbraw/zinc/93/73/69/913937369.db2.gz	LPZDARPJXCEWDJ-QZTJIDSGSA-N	1	0	355.438	1.744	20	30		FDEDRO
CC(C)(O)CC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21	ZINC001084313351	913977444	/nfs/dbraw/zinc/97/74/44/913977444.db2.gz	ZOSRBPFEIVDEEI-SJLPKXTDSA-N	1	0	357.454	1.783	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@H](OC)C2)C1	ZINC000941795812	895729103	/nfs/dbraw/zinc/72/91/03/895729103.db2.gz	OCLBVXVQLAOTME-IXDOHACOSA-N	1	0	363.502	1.558	20	30		FDEDRO
N#Cc1ccc(F)c(CN2CC(CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)c1	ZINC001031980803	896020407	/nfs/dbraw/zinc/02/04/07/896020407.db2.gz	DYUFXHFNIYPJJE-CABCVRRESA-N	1	0	358.417	1.147	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC000671103614	896621655	/nfs/dbraw/zinc/62/16/55/896621655.db2.gz	MXWCLVWMOVQOII-IAGOWNOFSA-N	1	0	357.454	1.611	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@H]2O)CC1	ZINC001077927722	896924661	/nfs/dbraw/zinc/92/46/61/896924661.db2.gz	BJXNTZQFPWNGOY-WOJBJXKFSA-N	1	0	370.497	1.340	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2([NH+](C)C)CCC2)c1	ZINC001000167871	896932296	/nfs/dbraw/zinc/93/22/96/896932296.db2.gz	BJLKBLSOTAOBSJ-SQNIBIBYSA-N	1	0	366.465	1.409	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(c3ncnc4sccc43)CC2)CC1	ZINC000057154797	897059287	/nfs/dbraw/zinc/05/92/87/897059287.db2.gz	KKJAEROSUORIPE-UHFFFAOYSA-N	1	0	369.494	1.685	20	30		FDEDRO
C#CC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)n1	ZINC001128112742	897184199	/nfs/dbraw/zinc/18/41/99/897184199.db2.gz	MOVMMPMBNZRGEW-TXJVSEOTSA-N	1	0	368.481	1.314	20	30		FDEDRO
C#CCC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@H]3OCC[C@H]3C)C2)n1	ZINC001128118371	897315209	/nfs/dbraw/zinc/31/52/09/897315209.db2.gz	MZQLHSVEXIUPLI-AYBZRNKSSA-N	1	0	356.470	1.314	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(c4ccccn4)C[C@H]3C)[C@@H]2C1	ZINC001084352125	914152456	/nfs/dbraw/zinc/15/24/56/914152456.db2.gz	SIPDFVQMJHDRMR-NCXUSEDFSA-N	1	0	352.482	1.710	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COc2ccccc2F)C[C@H]1C	ZINC001106978966	897369962	/nfs/dbraw/zinc/36/99/62/897369962.db2.gz	VPRGHQUTKBSASR-HUUCEWRRSA-N	1	0	363.433	1.191	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[N@H+](CCO)CC2(CCOCC2)C1	ZINC001089961620	897408428	/nfs/dbraw/zinc/40/84/28/897408428.db2.gz	LTVBULVAJUDADC-SQNIBIBYSA-N	1	0	366.502	1.337	20	30		FDEDRO
C#CC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3ccco3)C2)n1	ZINC001128133139	897438591	/nfs/dbraw/zinc/43/85/91/897438591.db2.gz	RMBWYPIEDPGVFJ-KZNAEPCWSA-N	1	0	364.449	1.896	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCO)CC2(CCOCC2)C1	ZINC001089962984	897465947	/nfs/dbraw/zinc/46/59/47/897465947.db2.gz	DHUXGKJIDCUZEP-BZSNNMDCSA-N	1	0	366.502	1.337	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2nc3ncccn3n2)C[C@H]1C	ZINC001106983238	897489529	/nfs/dbraw/zinc/48/95/29/897489529.db2.gz	WKUGLQMDAVMLRK-OWCLPIDISA-N	1	0	356.474	1.706	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@H](OC)C1	ZINC000942596341	897500820	/nfs/dbraw/zinc/50/08/20/897500820.db2.gz	ZJTTULDJPIKOES-BZUAXINKSA-N	1	0	351.491	1.415	20	30		FDEDRO
CC#CC[NH+]1CCC(C2(NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)CC2)CC1	ZINC001000262400	897502804	/nfs/dbraw/zinc/50/28/04/897502804.db2.gz	YIZCKVCDHAQUJU-SJORKVTESA-N	1	0	361.486	1.006	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(C2CC[NH+](Cc3cncn3C)CC2)CC1	ZINC001000265070	897508870	/nfs/dbraw/zinc/50/88/70/897508870.db2.gz	OSGWXTATFSRTKL-MSOLQXFVSA-N	1	0	358.486	1.872	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CNC(=O)c3ccc(C#N)[nH]3)CCC[C@@H]12	ZINC000995268986	897665304	/nfs/dbraw/zinc/66/53/04/897665304.db2.gz	CEAJZCDSKNJWMT-SQGPQFPESA-N	1	0	369.469	1.482	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cc3c([nH]c2=O)CCC3)C[C@H]1C	ZINC001106987074	897674984	/nfs/dbraw/zinc/67/49/84/897674984.db2.gz	QTEYDBBFNICXDU-GDBMZVCRSA-N	1	0	359.470	1.776	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCC3CCOCC3)C[C@H]2O)cn1	ZINC001078032343	897675847	/nfs/dbraw/zinc/67/58/47/897675847.db2.gz	JMIZQURPRVNRLG-RTBURBONSA-N	1	0	357.454	1.045	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC000995278045	897755288	/nfs/dbraw/zinc/75/52/88/897755288.db2.gz	ZWWGVQDQVBRGSV-YQPXSLGVSA-N	1	0	365.477	1.789	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1)C1CC[NH+](C)CC1	ZINC000921765595	897802460	/nfs/dbraw/zinc/80/24/60/897802460.db2.gz	NWKATSPAILHDQG-MRXNPFEDSA-N	1	0	360.502	1.659	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](N(CC)C(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000942808484	897811657	/nfs/dbraw/zinc/81/16/57/897811657.db2.gz	JVSOMPMDCFXOEN-HSALFYBXSA-N	1	0	371.525	1.827	20	30		FDEDRO
CC[C@H](C)C(=O)NCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1	ZINC001106994607	898272977	/nfs/dbraw/zinc/27/29/77/898272977.db2.gz	PJZBLKJXDIOHOO-FRQCXROJSA-N	1	0	370.497	1.905	20	30		FDEDRO
C[NH+]=C(NCCc1cn(C)c2cc(F)ccc12)NCCN1CCOCC1	ZINC000184652422	898345074	/nfs/dbraw/zinc/34/50/74/898345074.db2.gz	NRZOTJUDKGDOJY-UHFFFAOYSA-N	1	0	361.465	1.357	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1	ZINC000921801871	898562263	/nfs/dbraw/zinc/56/22/63/898562263.db2.gz	YBBNKANIBLHCMI-GOSISDBHSA-N	1	0	359.470	1.387	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2ccns2)C1	ZINC001078402037	898731646	/nfs/dbraw/zinc/73/16/46/898731646.db2.gz	CQDJFTUSQSUFPF-OIISXLGYSA-N	1	0	365.499	1.831	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cnccc2C)C1	ZINC001078471731	898798364	/nfs/dbraw/zinc/79/83/64/898798364.db2.gz	CESZJXWRJQZXNV-QRVBRYPASA-N	1	0	359.470	1.688	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c(C)n[nH]c2C)C[C@H]1C	ZINC001107002823	899161660	/nfs/dbraw/zinc/16/16/60/899161660.db2.gz	RQWZQHXYYDNIQN-IIDMSEBBSA-N	1	0	360.502	1.539	20	30		FDEDRO
CN1C[C@@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)CC1=O	ZINC001084385354	914322565	/nfs/dbraw/zinc/32/25/65/914322565.db2.gz	DLRRJWWMWGKRSC-FGTMMUONSA-N	1	0	352.438	1.069	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1	ZINC000943740081	899327088	/nfs/dbraw/zinc/32/70/88/899327088.db2.gz	LDHAUCBZAMEXCT-ZKXLYKBJSA-N	1	0	363.502	1.463	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnc(OC)c(Cl)c2)C[C@H]1C	ZINC001107017410	899555026	/nfs/dbraw/zinc/55/50/26/899555026.db2.gz	VIAGOBPMCXGCST-UKRRQHHQSA-N	1	0	365.861	1.691	20	30		FDEDRO
C=C[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC2)[C@H](C)C1)c1ccccc1	ZINC001107018923	899558689	/nfs/dbraw/zinc/55/86/89/899558689.db2.gz	QUSCXWXCNFPFMT-BHIYHBOVSA-N	1	0	355.482	1.873	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1	ZINC000185205449	899734941	/nfs/dbraw/zinc/73/49/41/899734941.db2.gz	JAYSYJVMNDOLKZ-UHFFFAOYSA-N	1	0	357.454	1.874	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1	ZINC000944072759	899819673	/nfs/dbraw/zinc/81/96/73/899819673.db2.gz	LPNXJFGNVXGFJC-MKXGPGLRSA-N	1	0	373.497	1.006	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1	ZINC000944109938	899869839	/nfs/dbraw/zinc/86/98/39/899869839.db2.gz	UGAFOZGHYQAEDI-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
CCS(=O)(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1	ZINC001107035613	899991573	/nfs/dbraw/zinc/99/15/73/899991573.db2.gz	PHVPWZYCIXVEOB-RHSMWYFYSA-N	1	0	363.483	1.177	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CC(C)C)[C@H](C)C1	ZINC001107059060	900308635	/nfs/dbraw/zinc/30/86/35/900308635.db2.gz	PBVLZWUUNUBAQZ-IAGOWNOFSA-N	1	0	363.506	1.711	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cn(CC3CC3)nn2)[C@H](C)C1	ZINC001107063170	900448137	/nfs/dbraw/zinc/44/81/37/900448137.db2.gz	DTZXKFNVBMRYHF-BFYDXBDKSA-N	1	0	361.490	1.463	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCNC(=O)CC2)[C@H](C)C1	ZINC001107063683	900449232	/nfs/dbraw/zinc/44/92/32/900449232.db2.gz	XJIAFIWCWHUDNR-IXDOHACOSA-N	1	0	351.491	1.180	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CCCS(=O)(=O)CC)[C@H](C)C1	ZINC001107065018	900453873	/nfs/dbraw/zinc/45/38/73/900453873.db2.gz	DRGLSLJAZCZAJH-OWCLPIDISA-N	1	0	360.520	1.086	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3c2CCC3)C[C@H]1C	ZINC001107067108	900464579	/nfs/dbraw/zinc/46/45/79/900464579.db2.gz	VMHUDCYVDGQZJM-NVXWUHKLSA-N	1	0	353.466	1.222	20	30		FDEDRO
COCCOCCC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1	ZINC001107067580	900471827	/nfs/dbraw/zinc/47/18/27/900471827.db2.gz	HICUFNKNCJLPEI-UYAOXDASSA-N	1	0	358.482	1.775	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCn2ccnc2)C[C@H]1C	ZINC001107076485	900536234	/nfs/dbraw/zinc/53/62/34/900536234.db2.gz	XPWZYENXGRJPMD-IXDOHACOSA-N	1	0	361.490	1.038	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(CC=C)CCCC2)C[C@H]1C	ZINC001107099673	900990425	/nfs/dbraw/zinc/99/04/25/900990425.db2.gz	MLGMCPROWBSOBZ-KZNAEPCWSA-N	1	0	359.514	1.945	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccnc2OC(C)C)C[C@H]1C	ZINC001107101881	901159024	/nfs/dbraw/zinc/15/90/24/901159024.db2.gz	BZYNYRUWJUZHID-IAGOWNOFSA-N	1	0	359.470	1.816	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CCNc2ccncc2C#N)CC[N@@H+]1C	ZINC001063853555	901169251	/nfs/dbraw/zinc/16/92/51/901169251.db2.gz	UGHVEUVRJVBOHL-BPQIPLTHSA-N	1	0	355.486	1.898	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CCNc2cnc(C#N)cn2)CC[N@@H+]1C	ZINC001063853519	901169735	/nfs/dbraw/zinc/16/97/35/901169735.db2.gz	SCMIRLXSCMZUTB-DJIMGWMZSA-N	1	0	356.474	1.872	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH]c(=O)oc32)C[C@H]1C	ZINC001107104166	901178746	/nfs/dbraw/zinc/17/87/46/901178746.db2.gz	WJUFSLAZGSJWRD-ZIAGYGMSSA-N	1	0	357.410	1.481	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2cn[nH]c2)[C@@H](n2ccnn2)C1	ZINC001129315336	901296308	/nfs/dbraw/zinc/29/63/08/901296308.db2.gz	ARXSVSTXUBIJDQ-OIISXLGYSA-N	1	0	357.462	1.330	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(C[C@@H](c2ccccc2OC)[NH+]2CCCC2)C1=O	ZINC000348492247	901318580	/nfs/dbraw/zinc/31/85/80/901318580.db2.gz	YOTAXDMBPGHIEJ-SJORKVTESA-N	1	0	373.453	1.955	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCCN(c2nccnc2C#N)C3)CC[N@@H+]1C	ZINC001064571480	901390290	/nfs/dbraw/zinc/39/02/90/901390290.db2.gz	ZSBQMEIATLMTHI-QINHECLXSA-N	1	0	368.485	1.507	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CCC1	ZINC001064549801	901402741	/nfs/dbraw/zinc/40/27/41/901402741.db2.gz	SOXGCQRLLMGCSU-BBWFWOEESA-N	1	0	363.502	1.465	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@]3(CCN(c4nccnc4C#N)C3)C2)CC[N@@H+]1C	ZINC001064650062	901519502	/nfs/dbraw/zinc/51/95/02/901519502.db2.gz	NNGDBQMLCQYCKQ-CLCXKQKWSA-N	1	0	354.458	1.117	20	30		FDEDRO
C[NH+]=C(NCC(=O)N1CCCCC1)N1CCN(c2ccc(F)cc2)CC1	ZINC000073165605	901757322	/nfs/dbraw/zinc/75/73/22/901757322.db2.gz	GEFDMZICGPDOCL-UHFFFAOYSA-N	1	0	361.465	1.536	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2CN(c3ccnc(C#N)n3)C[C@H]21	ZINC001090340924	901758199	/nfs/dbraw/zinc/75/81/99/901758199.db2.gz	ONPCKVRQKIPKPU-RRFJBIMHSA-N	1	0	360.437	1.065	20	30		FDEDRO
Cc1ccc(/C=C\CC(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)cc1	ZINC001107114089	901785722	/nfs/dbraw/zinc/78/57/22/901785722.db2.gz	DNFFTDBWWRPICY-VOSNQSNISA-N	1	0	368.481	1.722	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH2+]CCO)C2)c1	ZINC001079150352	901983352	/nfs/dbraw/zinc/98/33/52/901983352.db2.gz	NXVCCOCMAHXFFA-FUHWJXTLSA-N	1	0	356.401	1.606	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2N)CC[C@H]1c1ccc(F)cc1	ZINC001079151523	901985674	/nfs/dbraw/zinc/98/56/74/901985674.db2.gz	XAGNPLLIZOAYOF-DOTOQJQBSA-N	1	0	357.433	1.915	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(=O)n(C)o2)CC[C@H]1c1ccc(F)cc1	ZINC001079151491	901985794	/nfs/dbraw/zinc/98/57/94/901985794.db2.gz	VFTQANKCXOGKCL-JKSUJKDBSA-N	1	0	359.401	1.891	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H](NC(=O)c3ocnc3C(F)F)[C@@H](O)C2)cc1	ZINC001083782857	901985988	/nfs/dbraw/zinc/98/59/88/901985988.db2.gz	OWNXBUCNXYLREW-OLZOCXBDSA-N	1	0	362.336	1.459	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2nccc(C)n2)C1	ZINC001079133613	901994364	/nfs/dbraw/zinc/99/43/64/901994364.db2.gz	QVVVGIGWEITIGK-RTBURBONSA-N	1	0	364.449	1.496	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccc(C)nn2)C1	ZINC001079134885	901998654	/nfs/dbraw/zinc/99/86/54/901998654.db2.gz	XGLMLMUINOIILP-WOJBJXKFSA-N	1	0	364.449	1.496	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnn(CC)n2)C1	ZINC001079134855	901999058	/nfs/dbraw/zinc/99/90/58/901999058.db2.gz	VPNIWMNFRVWUCC-RTBURBONSA-N	1	0	369.469	1.562	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1	ZINC001079141558	902032304	/nfs/dbraw/zinc/03/23/04/902032304.db2.gz	LGGJRQOQBDZBSS-IVDHNXQLSA-N	1	0	356.466	1.529	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCNC2=O)CC[C@H]1c1ccc(F)cc1	ZINC001079154422	902068735	/nfs/dbraw/zinc/06/87/35/902068735.db2.gz	CEAQLNDOXHWMMF-OKZBNKHCSA-N	1	0	357.429	1.259	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC[C@H]1c1ccc(F)cc1	ZINC001079154790	902069793	/nfs/dbraw/zinc/06/97/93/902069793.db2.gz	WHDXDZPSGGBXTI-XWPNQZOQSA-N	1	0	373.472	1.452	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)N(C)C2)CC[C@H]1c1ccc(F)cc1	ZINC001079162669	902090123	/nfs/dbraw/zinc/09/01/23/902090123.db2.gz	VSMASRDGIMFOTM-YTQUADARSA-N	1	0	371.456	1.601	20	30		FDEDRO
C#CC[NH+]1CCC(N2C(=O)N[C@@H]3CN(C(=O)[C@]45C[C@H]4CCC5)CC[C@H]32)CC1	ZINC001079165351	902094403	/nfs/dbraw/zinc/09/44/03/902094403.db2.gz	PIKTWZUGLLRSQM-QTQZEZTPSA-N	1	0	370.497	1.269	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cnn(CC)c2)C[C@H]1c1cccc(F)c1	ZINC001079205901	902111029	/nfs/dbraw/zinc/11/10/29/902111029.db2.gz	KOSVUEKLJPSUFQ-RBUKOAKNSA-N	1	0	354.429	1.802	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCCCC(=O)N2)C[C@H]1c1cccc(F)c1	ZINC001079207148	902114081	/nfs/dbraw/zinc/11/40/81/902114081.db2.gz	QGGIJLWGMYZMOT-CEXWTWQISA-N	1	0	371.456	1.792	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3n[nH]nc3n2)C[C@H]1c1cccc(F)c1	ZINC001079186182	902130610	/nfs/dbraw/zinc/13/06/10/902130610.db2.gz	DVPKPGYRIKUVJG-WMLDXEAASA-N	1	0	364.384	1.323	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1c1cccc(F)c1	ZINC001079187672	902134932	/nfs/dbraw/zinc/13/49/32/902134932.db2.gz	SOFJETXLVRYWJM-DOTOQJQBSA-N	1	0	354.385	1.246	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(C)c(C)cc2=O)C[C@H]1c1cccc(F)c1	ZINC001079188506	902137342	/nfs/dbraw/zinc/13/73/42/902137342.db2.gz	BYKIGQXZHDVEHQ-PKOBYXMFSA-N	1	0	367.424	1.664	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCN(C)C2=O)C[C@H]1c1cccc(F)c1	ZINC001079188775	902138790	/nfs/dbraw/zinc/13/87/90/902138790.db2.gz	QHBYISCBMGJPRT-RYQLBKOJSA-N	1	0	359.445	1.764	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCCC(=O)N2)C[C@H]1c1cccc(F)c1	ZINC001079190226	902142924	/nfs/dbraw/zinc/14/29/24/902142924.db2.gz	GWIUNBNMLVDMFC-OKZBNKHCSA-N	1	0	357.429	1.402	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC=CCC2)C3)CC1	ZINC000995743120	902143006	/nfs/dbraw/zinc/14/30/06/902143006.db2.gz	CXEHZWVLPGVOOA-LMCOJAPRSA-N	1	0	369.509	1.936	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2OC)C[C@H]1c1cccc(F)c1	ZINC001079193830	902154682	/nfs/dbraw/zinc/15/46/82/902154682.db2.gz	XPAUQEGZDMXNSV-DOTOQJQBSA-N	1	0	356.401	1.399	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cnccc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079231528	902165318	/nfs/dbraw/zinc/16/53/18/902165318.db2.gz	OOVHYBWCMQEREP-RBUKOAKNSA-N	1	0	353.466	1.966	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3c[nH]c(CC(C)C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079241833	902193831	/nfs/dbraw/zinc/19/38/31/902193831.db2.gz	FHJQJRIHCJUYFY-FUHWJXTLSA-N	1	0	370.497	1.794	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cc(C)n(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079227283	902240070	/nfs/dbraw/zinc/24/00/70/902240070.db2.gz	LVWOLUFOJGLJGF-FUHWJXTLSA-N	1	0	356.470	1.305	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3cc(C)n(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079227515	902241566	/nfs/dbraw/zinc/24/15/66/902241566.db2.gz	YEKNUDPJVHUAJM-FUHWJXTLSA-N	1	0	358.486	1.858	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cnn(CC)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079229936	902247969	/nfs/dbraw/zinc/24/79/69/902247969.db2.gz	PAFJDKIFNNYEMB-ZWKOTPCHSA-N	1	0	356.470	1.479	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)CCc3ccn(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079245014	902252032	/nfs/dbraw/zinc/25/20/32/902252032.db2.gz	SMAWBDRIQOYKJW-ZWKOTPCHSA-N	1	0	358.486	1.478	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)CCc3ccnn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079245057	902252560	/nfs/dbraw/zinc/25/25/60/902252560.db2.gz	VGLWTEWBUBJYGF-RBUKOAKNSA-N	1	0	370.497	1.315	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)Cc3cn(C)nc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079245978	902255367	/nfs/dbraw/zinc/25/53/67/902255367.db2.gz	MVILCFCBKVAJSS-ZWKOTPCHSA-N	1	0	358.486	1.396	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cn4cccnc4n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079250174	902268417	/nfs/dbraw/zinc/26/84/17/902268417.db2.gz	PZVPZQBXSRMSCI-DOTOQJQBSA-N	1	0	367.453	1.468	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)Cc3cc(C)nn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079251336	902271784	/nfs/dbraw/zinc/27/17/84/902271784.db2.gz	RFRZIQKRIROJIN-RBUKOAKNSA-N	1	0	370.497	1.234	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)Cn3nc(C)cc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079251414	902273630	/nfs/dbraw/zinc/27/36/30/902273630.db2.gz	WDNQGHIKTLGMNE-RBUKOAKNSA-N	1	0	370.497	1.463	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc(C(C)C)on3)[C@@H]3COC[C@@H]32)CC1	ZINC001079253902	902276943	/nfs/dbraw/zinc/27/69/43/902276943.db2.gz	HBULYFNOGHIIJM-DOTOQJQBSA-N	1	0	357.454	1.984	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3coc(OC)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079254213	902278692	/nfs/dbraw/zinc/27/86/92/902278692.db2.gz	RFJASZSMAMDSRU-GOEBONIOSA-N	1	0	361.442	1.812	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cc(CCC)n[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079254418	902279516	/nfs/dbraw/zinc/27/95/16/902279516.db2.gz	BWRGGRLTROKWII-PKOBYXMFSA-N	1	0	370.497	1.939	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3c[nH]c(=O)cc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079260976	902300539	/nfs/dbraw/zinc/30/05/39/902300539.db2.gz	YGCRRKIYOTUOTR-ZWKOTPCHSA-N	1	0	369.465	1.672	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCCCO3)[C@@H]3COC[C@@H]32)CC1	ZINC001079262787	902302508	/nfs/dbraw/zinc/30/25/08/902302508.db2.gz	AWNGBJQYHAAUBJ-GBESFXJTSA-N	1	0	360.498	1.908	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cnoc3CC)[C@@H]3COC[C@@H]32)CC1	ZINC001079264075	902309377	/nfs/dbraw/zinc/30/93/77/902309377.db2.gz	YGURRDFPMORNQV-DLBZAZTESA-N	1	0	357.454	1.813	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3ccnc(C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079266511	902313848	/nfs/dbraw/zinc/31/38/48/902313848.db2.gz	DVHQLHTZRBWATA-RBUKOAKNSA-N	1	0	353.466	1.966	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC3(CC[NH+](CC#CC)CC3)[C@H]3COC[C@H]32)nn1	ZINC001079265708	902314071	/nfs/dbraw/zinc/31/40/71/902314071.db2.gz	XEZPWAAKPGAGDA-FUHWJXTLSA-N	1	0	369.469	1.040	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3nnn(C(C)C)c3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079267913	902318099	/nfs/dbraw/zinc/31/80/99/902318099.db2.gz	BEGNRCBQTJDADP-DLBZAZTESA-N	1	0	371.485	1.354	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3ccccc3C#N)C(C)(C)C2)C1	ZINC000995824274	902326021	/nfs/dbraw/zinc/32/60/21/902326021.db2.gz	NZPYCGOYHHPJFJ-ZTFGCOKTSA-N	1	0	368.481	1.800	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC3(CC[NH+](CC=C)CC3)[C@H]3COC[C@H]32)cn1	ZINC001079270320	902328777	/nfs/dbraw/zinc/32/87/77/902328777.db2.gz	MFGFCFFPDQEQQV-RBUKOAKNSA-N	1	0	351.450	1.802	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC3(CC[NH+](CCF)CC3)[C@H]3COC[C@H]32)cn1	ZINC001079270538	902330169	/nfs/dbraw/zinc/33/01/69/902330169.db2.gz	XEVPJIKODHZQFX-ZWKOTPCHSA-N	1	0	357.429	1.585	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)Cc3[nH]cnc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079270914	902331432	/nfs/dbraw/zinc/33/14/32/902331432.db2.gz	BPGLGKOUHHWNFI-FUHWJXTLSA-N	1	0	356.470	1.223	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3ccc(C#N)cc3)C(C)(C)C2)C1	ZINC000995826669	902332372	/nfs/dbraw/zinc/33/23/72/902332372.db2.gz	WRQDDGCCBQHIHJ-ZTFGCOKTSA-N	1	0	368.481	1.800	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)Cc3[nH]cnc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079271542	902333744	/nfs/dbraw/zinc/33/37/44/902333744.db2.gz	ULTRUGUDPFJJAM-FUHWJXTLSA-N	1	0	358.486	1.776	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)COc3cccc(C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079272586	902336220	/nfs/dbraw/zinc/33/62/20/902336220.db2.gz	NSIGGAPOEPRVPU-VQTJNVASSA-N	1	0	368.477	1.946	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)Cn3ccnc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079273336	902338773	/nfs/dbraw/zinc/33/87/73/902338773.db2.gz	ABMVNDKCZYEARO-ZWKOTPCHSA-N	1	0	358.486	1.707	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(CC[NH+](CC#CC)CC2)[C@H]2COC[C@H]21	ZINC001079243080	902340682	/nfs/dbraw/zinc/34/06/82/902340682.db2.gz	JTURRGSRJPTZKC-WCIQWLHISA-N	1	0	372.509	1.930	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3nc[nH]c3n2)C[C@H]1c1ccccc1F	ZINC001079299444	902343686	/nfs/dbraw/zinc/34/36/86/902343686.db2.gz	PYXQJXCHPWLFOO-KBXCAEBGSA-N	1	0	363.396	1.928	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@@H]1O	ZINC001083935237	902367216	/nfs/dbraw/zinc/36/72/16/902367216.db2.gz	SSIQCVJXCASNFO-MSOLQXFVSA-N	1	0	367.449	1.664	20	30		FDEDRO
C=C(Br)CN1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)[C@@H]2C1	ZINC001084406121	914624805	/nfs/dbraw/zinc/62/48/05/914624805.db2.gz	HAWDTYPVQKHQNY-KFWWJZLASA-N	1	0	356.308	1.768	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)nn2)C[C@H]1c1ccccc1F	ZINC001079318451	902417581	/nfs/dbraw/zinc/41/75/81/902417581.db2.gz	DUFDBASSKCJWSM-MAUKXSAKSA-N	1	0	367.428	1.513	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@H]1c1ccccc1F	ZINC001079306344	902438078	/nfs/dbraw/zinc/43/80/78/902438078.db2.gz	NDUGUOHDSDZUFK-JQHSSLGASA-N	1	0	359.445	1.907	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCCOC2)C3)CC1	ZINC000995891115	902599284	/nfs/dbraw/zinc/59/92/84/902599284.db2.gz	VQHXGCBYQCWTFC-YRXWBPOGSA-N	1	0	373.497	1.006	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccccc2C#N)C(C)(C)C1	ZINC000995914132	902688822	/nfs/dbraw/zinc/68/88/22/902688822.db2.gz	BNPBGHHMGGBZDN-QGTPRVQTSA-N	1	0	357.454	1.689	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc3c2OCCO3)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC001079581620	902835406	/nfs/dbraw/zinc/83/54/06/902835406.db2.gz	WNRVLBMSGOTVMY-CXAGYDPISA-N	1	0	366.421	1.908	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C#N)c[nH]1)C2	ZINC000996008632	902888613	/nfs/dbraw/zinc/88/86/13/902888613.db2.gz	MRXWALAMGJWXRA-CBZIJGRNSA-N	1	0	369.469	1.622	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CC[NH+]2CCCCC2)c1	ZINC000996008938	902889856	/nfs/dbraw/zinc/88/98/56/902889856.db2.gz	VCEXYRRBXMXNKU-RYRKJORJSA-N	1	0	369.469	1.624	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)Cc3ccn(C)n3)C2)cc1C#N	ZINC001079681308	903014281	/nfs/dbraw/zinc/01/42/81/903014281.db2.gz	GFRUPJCSGVHPSX-RDTXWAMCSA-N	1	0	367.453	1.480	20	30		FDEDRO
C[NH+](C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(C#N)[nH]2)C3)CCC1	ZINC000996110193	903115704	/nfs/dbraw/zinc/11/57/04/903115704.db2.gz	VQZHYVPOTXDFIH-KBMXLJTQSA-N	1	0	355.442	1.232	20	30		FDEDRO
C[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001079710448	903119860	/nfs/dbraw/zinc/11/98/60/903119860.db2.gz	JAHFWFNDDMJTMA-HEFCMCLBSA-N	1	0	370.472	1.976	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1C	ZINC001079721193	903137577	/nfs/dbraw/zinc/13/75/77/903137577.db2.gz	SAFJTFXKPUADIS-DZUCGIPZSA-N	1	0	362.474	1.728	20	30		FDEDRO
C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(C#N)c1)C2)C1CCC1	ZINC000996125220	903157678	/nfs/dbraw/zinc/15/76/78/903157678.db2.gz	BHRGLWQIHGELIT-IKGGRYGDSA-N	1	0	355.442	1.232	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@@H]1CC(=O)N(C)C1	ZINC001079796259	903350629	/nfs/dbraw/zinc/35/06/29/903350629.db2.gz	HOCMFHHYOCNTLG-QGPMSJSTSA-N	1	0	370.453	1.004	20	30		FDEDRO
CCN1C[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)CC1=O	ZINC001079798828	903362210	/nfs/dbraw/zinc/36/22/10/903362210.db2.gz	RNGMOLAMURSBCJ-FHLIZLRMSA-N	1	0	354.454	1.363	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1CN(C(=O)C[NH+](CC)CC)C1	ZINC001079855190	903521259	/nfs/dbraw/zinc/52/12/59/903521259.db2.gz	REDJUTJLEVYFDK-WMZOPIPTSA-N	1	0	351.491	1.369	20	30		FDEDRO
C=CCOCCCC(=O)N1CC(N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001079859969	903548289	/nfs/dbraw/zinc/54/82/89/903548289.db2.gz	QDXWPKMCSZCXFL-NVXWUHKLSA-N	1	0	351.491	1.369	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(CC)C1CN(C(=O)C[NH+](CC)CC)C1	ZINC001079850255	903625237	/nfs/dbraw/zinc/62/52/37/903625237.db2.gz	LHBPIWMENOSTEC-HKUYNNGSSA-N	1	0	365.518	1.759	20	30		FDEDRO
C=CCC[C@@H](C)[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCO[C@H]3CC)nn2)C1	ZINC001107187868	903746433	/nfs/dbraw/zinc/74/64/33/903746433.db2.gz	LIYHKDHGNFWPFB-OLMNPRSZSA-N	1	0	361.490	1.921	20	30		FDEDRO
CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(CC)CCC#N)CC2	ZINC001107266584	904225065	/nfs/dbraw/zinc/22/50/65/904225065.db2.gz	DVEXIGUWDRAOPK-VQIMIIECSA-N	1	0	364.490	1.146	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(Cl)c[nH]3)CCC[C@@H]12	ZINC001107279082	904275481	/nfs/dbraw/zinc/27/54/81/904275481.db2.gz	KKGSVSKHNCLMII-CRAIPNDOSA-N	1	0	362.861	1.392	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]Cc2nnc(C)n2CC)CC1	ZINC000996600309	904313032	/nfs/dbraw/zinc/31/30/32/904313032.db2.gz	HSDCXMIFQKYEID-SJORKVTESA-N	1	0	361.490	1.668	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCSCC)CCC[C@@H]12	ZINC001107301621	904358097	/nfs/dbraw/zinc/35/80/97/904358097.db2.gz	GLAOWXZXWZJMKE-CRAIPNDOSA-N	1	0	351.516	1.240	20	30		FDEDRO
C=CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H](C)C(=O)NCCCOC)C2	ZINC001111648470	904430294	/nfs/dbraw/zinc/43/02/94/904430294.db2.gz	AHEKNMLJPCDCQX-GJYPPUQNSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC)CC2	ZINC001107317858	904441904	/nfs/dbraw/zinc/44/19/04/904441904.db2.gz	DPAXYYVRTFDGAQ-FRQCXROJSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCCOCC=C)CCC[C@@H]12	ZINC001107350874	904555155	/nfs/dbraw/zinc/55/51/55/904555155.db2.gz	RVPQZSQOGLXICU-YLJYHZDGSA-N	1	0	363.502	1.632	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C(F)=C3CCCC3)CCC[C@@H]12	ZINC001107360949	904556603	/nfs/dbraw/zinc/55/66/03/904556603.db2.gz	BPTOGTGPMDVUHL-OXQOHEQNSA-N	1	0	361.461	1.894	20	30		FDEDRO
C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ncccc1C)CC2	ZINC001107366578	904572453	/nfs/dbraw/zinc/57/24/53/904572453.db2.gz	KRLWJTKIGYZMAP-WIYYLYMNSA-N	1	0	368.481	1.390	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3ccoc3)CCC[C@@H]12	ZINC001107357151	904581151	/nfs/dbraw/zinc/58/11/51/904581151.db2.gz	VENXBSQLEIKTEH-VQIMIIECSA-N	1	0	358.442	1.213	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CCCCO3)CCC[C@@H]12	ZINC001107360321	904589798	/nfs/dbraw/zinc/58/97/98/904589798.db2.gz	GLWSZTUULDYIEI-MBOZVWFJSA-N	1	0	361.486	1.056	20	30		FDEDRO
CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccc(C#N)c1)CC2	ZINC001107373795	904603025	/nfs/dbraw/zinc/60/30/25/904603025.db2.gz	BNEVTMARMSFSCE-WIYYLYMNSA-N	1	0	368.481	1.945	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C)c(F)c2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC001081507179	904718155	/nfs/dbraw/zinc/71/81/55/904718155.db2.gz	IJIJFFXVNBNLET-QZTJIDSGSA-N	1	0	356.401	1.963	20	30		FDEDRO
CO[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC001081507361	904719842	/nfs/dbraw/zinc/71/98/42/904719842.db2.gz	QVCWBAOJUVIMLS-KZNAEPCWSA-N	1	0	354.410	1.049	20	30		FDEDRO
CC(C)(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCN1CCNC1=O)CC2	ZINC001107399778	904731483	/nfs/dbraw/zinc/73/14/83/904731483.db2.gz	JFTVPUBKLOHFBL-OXQOHEQNSA-N	1	0	360.502	1.422	20	30		FDEDRO
C#CCCOc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(N)=O)CC3)cc1	ZINC001107403152	904741300	/nfs/dbraw/zinc/74/13/00/904741300.db2.gz	XJRNHJGVDZANRK-WIYYLYMNSA-N	1	0	369.465	1.548	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[C@@H]1CCCC(=O)N1	ZINC001080092281	904758094	/nfs/dbraw/zinc/75/80/94/904758094.db2.gz	LVLVDTFUZWMOFM-FHLIZLRMSA-N	1	0	354.454	1.554	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3ccncc3C)CCC[C@@H]12	ZINC001107407999	904764735	/nfs/dbraw/zinc/76/47/35/904764735.db2.gz	KJSHTHKCJJBAAG-TZIWHRDSSA-N	1	0	355.482	1.943	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)NC1CCN(C(=O)Cc2ccccc2OC)CC1	ZINC000764474520	904765551	/nfs/dbraw/zinc/76/55/51/904765551.db2.gz	HQZHASCQIOVSSP-UHFFFAOYSA-N	1	0	359.470	1.463	20	30		FDEDRO
CO[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC001081563488	904770628	/nfs/dbraw/zinc/77/06/28/904770628.db2.gz	RMUNHQUONWTACI-KZNAEPCWSA-N	1	0	360.458	1.257	20	30		FDEDRO
C=C(C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCNS(C)(=O)=O)CC2	ZINC001107424510	904832216	/nfs/dbraw/zinc/83/22/16/904832216.db2.gz	RGYYPHGIIRFMDY-NVXWUHKLSA-N	1	0	357.520	1.253	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCNC(=O)c3ccncc3)CCC[C@@H]12	ZINC001107426068	904847124	/nfs/dbraw/zinc/84/71/24/904847124.db2.gz	CUEWLSMLXQOPOV-WIYYLYMNSA-N	1	0	368.481	1.586	20	30		FDEDRO
CO[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001081675939	904923331	/nfs/dbraw/zinc/92/33/31/904923331.db2.gz	NFSWJMDBOARGLK-PWRODBHTSA-N	1	0	367.493	1.195	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1CCNC(=O)CC1	ZINC001080200946	904936936	/nfs/dbraw/zinc/93/69/36/904936936.db2.gz	WQYRCUXSNGJPKX-FHLIZLRMSA-N	1	0	354.454	1.411	20	30		FDEDRO
CCc1nn(C)cc1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC#CCOC)CC2	ZINC001107445162	904950304	/nfs/dbraw/zinc/95/03/04/904950304.db2.gz	MVNXSMCJSVRHNR-UYAOXDASSA-N	1	0	358.486	1.607	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH]nc3C(C)C)CCC[C@@H]12	ZINC001107458566	904978043	/nfs/dbraw/zinc/97/80/43/904978043.db2.gz	FYOGEKSRSCHSJX-OXQOHEQNSA-N	1	0	371.485	1.257	20	30		FDEDRO
CCc1nnc(C)cc1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC#CCOC)CC2	ZINC001107454041	905008627	/nfs/dbraw/zinc/00/86/27/905008627.db2.gz	OEXAPTIWDVWCRV-TZIWHRDSSA-N	1	0	370.497	1.972	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CS(=O)(=O)C3CCCC3)CCC[C@@H]12	ZINC001107454653	905012009	/nfs/dbraw/zinc/01/20/09/905012009.db2.gz	JCEHEMOTEAXTNO-IEBWSBKVSA-N	1	0	366.527	1.728	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4ccccn43)CCC[C@@H]12	ZINC001107457666	905026792	/nfs/dbraw/zinc/02/67/92/905026792.db2.gz	IOZVFUBFTOWOCZ-WIYYLYMNSA-N	1	0	366.465	1.959	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C(N)=O)o3)CCC[C@@H]12	ZINC001107466572	905043928	/nfs/dbraw/zinc/04/39/28/905043928.db2.gz	TZJHFXCGTIOWBN-VQIMIIECSA-N	1	0	359.426	1.003	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC(F)(F)F)n2)[C@H](OC)C1	ZINC001081824824	905067634	/nfs/dbraw/zinc/06/76/34/905067634.db2.gz	SDGRKUGUFQAGFB-ZIAGYGMSSA-N	1	0	360.380	1.841	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCc3cncnc3)CCC[C@@H]12	ZINC001107470270	905091192	/nfs/dbraw/zinc/09/11/92/905091192.db2.gz	JGVFJIPYQJAYGD-UYAOXDASSA-N	1	0	356.470	1.420	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)Cc3ccc(=O)[nH]c3)CCC[C@@H]12	ZINC001107478277	905148365	/nfs/dbraw/zinc/14/83/65/905148365.db2.gz	OXHNRLPKSVDYOB-YLJYHZDGSA-N	1	0	359.470	1.893	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2OC)cc1	ZINC001081865079	905169471	/nfs/dbraw/zinc/16/94/71/905169471.db2.gz	VLYGVHUGTDVWDL-ATZDWAIDSA-N	1	0	360.454	1.717	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@]3(COC)CCOC3)CCC[C@@H]12	ZINC001107488260	905208870	/nfs/dbraw/zinc/20/88/70/905208870.db2.gz	AGXBEYYTRUKZFH-MISYRCLQSA-N	1	0	364.486	1.050	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)C(F)(F)F)CCC[C@@H]12	ZINC001107506187	905288552	/nfs/dbraw/zinc/28/85/52/905288552.db2.gz	CKZVMDUIHHYQTJ-WOSRLPQWSA-N	1	0	361.408	1.848	20	30		FDEDRO
C=C(C)CN1CC[NH+](C2CCC(NC(=O)[C@H]3OCCO[C@H]3C)CC2)CC1	ZINC000996774952	905312535	/nfs/dbraw/zinc/31/25/35/905312535.db2.gz	CFMHCPIMLBNCHN-RGVPCPSESA-N	1	0	365.518	1.411	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3ncccc3F)CCC[C@@H]12	ZINC001107519341	905334821	/nfs/dbraw/zinc/33/48/21/905334821.db2.gz	HFVNFINUKPSEQR-UYAOXDASSA-N	1	0	359.445	1.774	20	30		FDEDRO
N#CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC2)CC1	ZINC000996775742	905348190	/nfs/dbraw/zinc/34/81/90/905348190.db2.gz	HXKJRNFMLKQCGQ-BHUNQDJPSA-N	1	0	356.474	1.082	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)c3ccccc3F)C[C@H]2C)c1	ZINC001080410699	905376366	/nfs/dbraw/zinc/37/63/66/905376366.db2.gz	OGAYHGAHNWJULG-XMCHAPAWSA-N	1	0	367.424	1.986	20	30		FDEDRO
CCc1ccoc1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107534333	905407622	/nfs/dbraw/zinc/40/76/22/905407622.db2.gz	VFJZTWSULPMXKO-DNVCBOLYSA-N	1	0	358.442	1.456	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1	ZINC001080437369	905428207	/nfs/dbraw/zinc/42/82/07/905428207.db2.gz	JXCPEZSWQPPJBU-ZJPYXAASSA-N	1	0	363.502	1.559	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCCC)CC3)c1	ZINC001107538302	905435832	/nfs/dbraw/zinc/43/58/32/905435832.db2.gz	LEOLADFZTXSBQF-WIYYLYMNSA-N	1	0	368.481	1.564	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)C(C)(F)F)CCC[C@@H]12	ZINC001107554847	905571319	/nfs/dbraw/zinc/57/13/19/905571319.db2.gz	MZMRIXCZXHNREG-HBUWYVDXSA-N	1	0	357.445	1.941	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)Cn3ccc(C)cc3=O)CCC[C@@H]12	ZINC001107563492	905601864	/nfs/dbraw/zinc/60/18/64/905601864.db2.gz	DCJZDFSAUVYESU-WIYYLYMNSA-N	1	0	371.481	1.167	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2COCCN2C2CCCC2)[C@H](OC)C1	ZINC001082057995	905669095	/nfs/dbraw/zinc/66/90/95/905669095.db2.gz	NMFMUKWCLGCEKO-KZNAEPCWSA-N	1	0	351.491	1.021	20	30		FDEDRO
C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)Nc1ccc(C#N)nn1	ZINC001098288351	905693844	/nfs/dbraw/zinc/69/38/44/905693844.db2.gz	LBHWMQDVQXZODK-OLMNPRSZSA-N	1	0	364.453	1.610	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)C(=O)NCc3ccc(F)cc3)CCC[C@@H]12	ZINC001107572623	905707272	/nfs/dbraw/zinc/70/72/72/905707272.db2.gz	IRUHCPPAOSXUBQ-YLJYHZDGSA-N	1	0	359.445	1.989	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cccnc3C)C[C@H]2C)nn1	ZINC001080584867	905746781	/nfs/dbraw/zinc/74/67/81/905746781.db2.gz	UKTYBQMWVJUGSV-RHSMWYFYSA-N	1	0	354.458	1.808	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCCO3)C[C@H]2C)nn1	ZINC001080585855	905747766	/nfs/dbraw/zinc/74/77/66/905747766.db2.gz	NQHBZBIITRQCIZ-IXDOHACOSA-N	1	0	361.490	1.864	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)C[C@@H]1CCC(=O)N1	ZINC001080602240	905763841	/nfs/dbraw/zinc/76/38/41/905763841.db2.gz	GUOXLSAQTIAOTO-UWWQBHOKSA-N	1	0	370.453	1.194	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3nc(C)oc3C)CCC[C@@H]12	ZINC001107586285	905832494	/nfs/dbraw/zinc/83/24/94/905832494.db2.gz	NUGQTWVCSIBAGB-DNVCBOLYSA-N	1	0	360.458	1.568	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)CC(=O)NCC(F)(F)F)CCC[C@@H]12	ZINC001107593791	905876980	/nfs/dbraw/zinc/87/69/80/905876980.db2.gz	WLWASCAGEYPLFO-CZUORRHYSA-N	1	0	361.408	1.992	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H](OC)C1	ZINC001082132578	905925861	/nfs/dbraw/zinc/92/58/61/905925861.db2.gz	JFGIIGWMTZRUBL-CKEIUWERSA-N	1	0	361.889	1.767	20	30		FDEDRO
CO[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C	ZINC001082133656	905931299	/nfs/dbraw/zinc/93/12/99/905931299.db2.gz	LJBSYSXBPTWKKU-DFQSSKMNSA-N	1	0	355.482	1.338	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cc(C(N)=O)c[nH]1	ZINC001080679616	905942699	/nfs/dbraw/zinc/94/26/99/905942699.db2.gz	NLCSAMJNIXDQMY-SJKOYZFVSA-N	1	0	351.410	1.236	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)CN3CC(=O)N(C)C3=O)CCC[C@@H]12	ZINC001107608459	905955210	/nfs/dbraw/zinc/95/52/10/905955210.db2.gz	RZGUPSZRDIFIPO-DNVCBOLYSA-N	1	0	362.474	1.207	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccc(OC)cc2)C[C@H]1OC	ZINC001082151015	905995829	/nfs/dbraw/zinc/99/58/29/905995829.db2.gz	XIEAQLQGBHPGSE-YSTOQKLRSA-N	1	0	374.481	1.644	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](CC)[NH+](C)C)nn1	ZINC000996878464	906050838	/nfs/dbraw/zinc/05/08/38/906050838.db2.gz	GTYROHRBXIWTHQ-WTTBNOFXSA-N	1	0	374.489	1.056	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(CNC(C)=O)s2)[C@H](OC)C1	ZINC001082179797	906193606	/nfs/dbraw/zinc/19/36/06/906193606.db2.gz	MYEOUJCHVRPTPS-HUUCEWRRSA-N	1	0	351.472	1.389	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCCn3ccnc3)CCC[C@@H]12	ZINC001107651809	906233340	/nfs/dbraw/zinc/23/33/40/906233340.db2.gz	GQBWAKRPITUADS-UYAOXDASSA-N	1	0	358.486	1.674	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)COCCOCC)CCC[C@@H]12	ZINC001107647570	906272896	/nfs/dbraw/zinc/27/28/96/906272896.db2.gz	QDSYEBOKGMJOBT-IEBWSBKVSA-N	1	0	354.491	1.603	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1C	ZINC001080806712	906289600	/nfs/dbraw/zinc/28/96/00/906289600.db2.gz	CAHLCPCHQMEVNW-JFIYKMOQSA-N	1	0	357.454	1.713	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3cn(C)nn3)CCC[C@@H]12	ZINC001107656190	906295977	/nfs/dbraw/zinc/29/59/77/906295977.db2.gz	FMQIUVVWXFWGCF-NVXWUHKLSA-N	1	0	351.882	1.861	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](CCc3ccccc3)C[C@H]2OC)nn1	ZINC001082218801	906321866	/nfs/dbraw/zinc/32/18/66/906321866.db2.gz	DZWYAYJFGNFAPG-IEBWSBKVSA-N	1	0	369.469	1.526	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCCCN2C(C)=O)[C@H](OC)C1	ZINC001082229126	906427993	/nfs/dbraw/zinc/42/79/93/906427993.db2.gz	XRBDAQBSILUYAD-RCCFBDPRSA-N	1	0	351.491	1.559	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)Cc3ccc(F)cc3)C2)C1=O	ZINC001080877138	906561596	/nfs/dbraw/zinc/56/15/96/906561596.db2.gz	HCVWZCJDYCXSEY-ZTFGCOKTSA-N	1	0	359.445	1.592	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)CN1CCCCCC1=O	ZINC001080905609	906631573	/nfs/dbraw/zinc/63/15/73/906631573.db2.gz	LTXNPTXQNIBONA-VQIMIIECSA-N	1	0	368.481	1.897	20	30		FDEDRO
CO[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2	ZINC001082328184	906774780	/nfs/dbraw/zinc/77/47/80/906774780.db2.gz	HSDRUOQOTJGZGA-RTBURBONSA-N	1	0	371.456	1.088	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCC(F)(F)C3)C[C@H]2OC)cn1	ZINC001082333969	906830803	/nfs/dbraw/zinc/83/08/03/906830803.db2.gz	LDYCBWNRPLEHIX-KBRIMQKVSA-N	1	0	363.408	1.927	20	30		FDEDRO
C=C[C@H](CC)CC(=O)NC1(CO)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001080956196	906866655	/nfs/dbraw/zinc/86/66/55/906866655.db2.gz	NFNSSVKLJBRQCS-BRWVUGGUSA-N	1	0	365.518	1.399	20	30		FDEDRO
C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C)N1CCCCC1=O	ZINC001080987123	906951288	/nfs/dbraw/zinc/95/12/88/906951288.db2.gz	NWMYUZCXXCAKNC-JTDSTZFVSA-N	1	0	368.481	1.896	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3nc(C)oc3C)C[C@H]2C)CC1	ZINC001080997594	906970664	/nfs/dbraw/zinc/97/06/64/906970664.db2.gz	GHRCUUWMGRZYRS-RDTXWAMCSA-N	1	0	358.486	1.573	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3cccc(OC)n3)C[C@H]2C)CC1	ZINC001080997613	906971077	/nfs/dbraw/zinc/97/10/77/906971077.db2.gz	GXMIVCFTMUJSJJ-VQIMIIECSA-N	1	0	370.497	1.372	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(CCOC)nc2C)C[C@H]1c1ccccc1	ZINC001081116814	907220055	/nfs/dbraw/zinc/22/00/55/907220055.db2.gz	BTBCHETXJKECTI-VQTJNVASSA-N	1	0	366.465	1.669	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nc(OC)cc(OC)n2)C[C@H]1c1ccccc1	ZINC001081134459	907237023	/nfs/dbraw/zinc/23/70/23/907237023.db2.gz	XBBFNVZEUVNKTJ-JKSUJKDBSA-N	1	0	366.421	1.325	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nnc(C)n2CC)CC1	ZINC000997085512	907261293	/nfs/dbraw/zinc/26/12/93/907261293.db2.gz	TWICRWSQPVGRML-WMZOPIPTSA-N	1	0	361.490	1.668	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@H]2c2ccccc2)c1	ZINC001081171418	907296532	/nfs/dbraw/zinc/29/65/32/907296532.db2.gz	JFQLTXWSDXWXAF-FUHWJXTLSA-N	1	0	366.396	1.267	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(=O)NC)nc2)C[C@H]1c1ccccc1	ZINC001081215420	907324957	/nfs/dbraw/zinc/32/49/57/907324957.db2.gz	JZEWEFQDDNAFOT-PKOBYXMFSA-N	1	0	362.433	1.272	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc(C(=O)NC)n2)C[C@H]1c1ccccc1	ZINC001081219388	907330172	/nfs/dbraw/zinc/33/01/72/907330172.db2.gz	ZOTRVTWDRBHYLR-QFBILLFUSA-N	1	0	362.433	1.272	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCO)C1	ZINC001081193262	907371912	/nfs/dbraw/zinc/37/19/12/907371912.db2.gz	QFKRROONJGXBHT-HAGHYFMRSA-N	1	0	358.482	1.934	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2nc(C3CC3)nn2C)C[C@H]1c1ccccc1	ZINC001081230160	907429145	/nfs/dbraw/zinc/42/91/45/907429145.db2.gz	RBWDVFWGGXZQLW-ZWKOTPCHSA-N	1	0	363.465	1.452	20	30		FDEDRO
Cc1nnsc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1	ZINC001082420119	907592050	/nfs/dbraw/zinc/59/20/50/907592050.db2.gz	URAWSFJZLWLURW-MLGOLLRUSA-N	1	0	371.466	1.999	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cnn(C)c3)C[C@H]2C)cc1C#N	ZINC001082420212	907592165	/nfs/dbraw/zinc/59/21/65/907592165.db2.gz	BSPJKEIMTIOFSK-CXAGYDPISA-N	1	0	353.426	1.551	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1C	ZINC001082425976	907665365	/nfs/dbraw/zinc/66/53/65/907665365.db2.gz	HHCWWTKUKZGHRP-RHSMWYFYSA-N	1	0	368.441	1.185	20	30		FDEDRO
C[C@H]1CN(C(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCO1	ZINC000073397022	907756856	/nfs/dbraw/zinc/75/68/56/907756856.db2.gz	JIJYEQHSMWGUIL-KRWDZBQOSA-N	1	0	356.470	1.313	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082442755	907785468	/nfs/dbraw/zinc/78/54/68/907785468.db2.gz	YZWXQTTYYDNECE-DNVCBOLYSA-N	1	0	367.453	1.502	20	30		FDEDRO
Cc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3F)C2)nnn1C	ZINC001082456951	907858903	/nfs/dbraw/zinc/85/89/03/907858903.db2.gz	VMZVIIORCSTJRB-BDJLRTHQSA-N	1	0	356.405	1.385	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccc(C#N)c(F)c2)CC[N@@H+]1C	ZINC001032411127	907901425	/nfs/dbraw/zinc/90/14/25/907901425.db2.gz	GDILWWVQGZXXTM-XFKAJCMBSA-N	1	0	356.445	1.823	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]Cc1cc(=O)[nH]c(C2CC2)n1	ZINC001082480134	907947538	/nfs/dbraw/zinc/94/75/38/907947538.db2.gz	HUCHMPKGUFJNRH-BDJLRTHQSA-N	1	0	366.425	1.510	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cnc(N(C)C)cn2)C[C@H]1C	ZINC001082511408	908042031	/nfs/dbraw/zinc/04/20/31/908042031.db2.gz	RUKHVHCDOJZLDH-ZWNOBZJWSA-N	1	0	368.279	1.501	20	30		FDEDRO
CCn1nncc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1	ZINC001082502306	908098275	/nfs/dbraw/zinc/09/82/75/908098275.db2.gz	MVGNVGURMMRKCF-MLGOLLRUSA-N	1	0	356.405	1.559	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3F)C2)[nH]1	ZINC001082505203	908120207	/nfs/dbraw/zinc/12/02/07/908120207.db2.gz	NJULGGPRRPTODN-BDJLRTHQSA-N	1	0	356.405	1.303	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1	ZINC000997297038	908184258	/nfs/dbraw/zinc/18/42/58/908184258.db2.gz	VPJQASNNSPPSQK-BPQIPLTHSA-N	1	0	363.502	1.559	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082517414	908196774	/nfs/dbraw/zinc/19/67/74/908196774.db2.gz	MCFQNCLIDIDOFW-XHSVMWQWSA-N	1	0	372.444	1.549	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082518363	908202830	/nfs/dbraw/zinc/20/28/30/908202830.db2.gz	MGPQEPXFVMCJFG-XHSVMWQWSA-N	1	0	372.444	1.549	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2ccn(C)n2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082539710	908361850	/nfs/dbraw/zinc/36/18/50/908361850.db2.gz	AFHUOBDNOUNQHU-DNVCBOLYSA-N	1	0	351.454	1.861	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2[nH]c(C)c(C(N)=O)c2CC)C[C@H]1C	ZINC001082557426	908589771	/nfs/dbraw/zinc/58/97/71/908589771.db2.gz	DCDIYAVSHWNRPU-NOZJJQNGSA-N	1	0	352.866	1.787	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1	ZINC001082561638	908630714	/nfs/dbraw/zinc/63/07/14/908630714.db2.gz	GSYRXGFROYDBSG-OWCLPIDISA-N	1	0	365.499	1.159	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)Cc2cn(C)nc2C)C[C@H]1C	ZINC001082563902	908656667	/nfs/dbraw/zinc/65/66/67/908656667.db2.gz	IPUUUSYJUCZROF-QMTHXVAHSA-N	1	0	355.280	1.616	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(OC)n2)C1	ZINC001082567797	908702196	/nfs/dbraw/zinc/70/21/96/908702196.db2.gz	BXXMDSMIRQIDKO-NXHRZFHOSA-N	1	0	356.470	1.124	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc3ccccc3o2)C1	ZINC001082567660	908702448	/nfs/dbraw/zinc/70/24/48/908702448.db2.gz	STYRCDNMWMCSIW-NXHRZFHOSA-N	1	0	366.465	1.862	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3[nH]c(=O)[nH]c3C)C[C@H]2C)cc1C#N	ZINC001082578883	908765280	/nfs/dbraw/zinc/76/52/80/908765280.db2.gz	UFTDUNVMFABERA-IAQYHMDHSA-N	1	0	369.425	1.554	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc4n(n3)CCCC4)C[C@H]2C)C1=O	ZINC001082581593	908789814	/nfs/dbraw/zinc/78/98/14/908789814.db2.gz	STWHWMLOAJXBQK-UWWQBHOKSA-N	1	0	371.485	1.056	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2CCN(C(=O)C(C)C)C[C@@H]2CC)CC1	ZINC000921618975	908836291	/nfs/dbraw/zinc/83/62/91/908836291.db2.gz	BZZMXOBYCCUTTR-WMZOPIPTSA-N	1	0	362.518	1.666	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn3c(n2)COCC3)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082594097	908879252	/nfs/dbraw/zinc/87/92/52/908879252.db2.gz	BEFWNYLEZGTFKK-IUODEOHRSA-N	1	0	371.466	1.597	20	30		FDEDRO
Cc1nc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)c(=O)[nH]c1C	ZINC001082585528	908901059	/nfs/dbraw/zinc/90/10/59/908901059.db2.gz	OIXOHYDVCRRSPN-SJKOYZFVSA-N	1	0	365.437	1.509	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc(C(N)=O)c2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082598730	908951689	/nfs/dbraw/zinc/95/16/89/908951689.db2.gz	OAEONOZIBMVOHH-SJKOYZFVSA-N	1	0	368.462	1.969	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1	ZINC001082599881	908960355	/nfs/dbraw/zinc/96/03/55/908960355.db2.gz	PGIKRFTUIQDKKX-DJIMGWMZSA-N	1	0	357.454	1.532	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc3ncnn32)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082622484	909136676	/nfs/dbraw/zinc/13/66/76/909136676.db2.gz	WIEIRVFEUFLTHH-RHSMWYFYSA-N	1	0	360.421	1.851	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCCC(=O)N2)C[C@H]1C	ZINC001082632274	909185805	/nfs/dbraw/zinc/18/58/05/909185805.db2.gz	QHMMHBFHDANYJW-KGYLQXTDSA-N	1	0	358.280	1.390	20	30		FDEDRO
COc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)s3)C2)nn1C	ZINC001082633891	909200402	/nfs/dbraw/zinc/20/04/02/909200402.db2.gz	SRJVMISNAWFDOD-IAQYHMDHSA-N	1	0	359.455	1.612	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)CCc3cncc(C)c3)C[C@H]2C)C1=O	ZINC001082634433	909204262	/nfs/dbraw/zinc/20/42/62/909204262.db2.gz	FNIRBXTYEQOIMJ-NZSAHSFTSA-N	1	0	370.497	1.546	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cn(C)ccc2=O)C[C@H]1C	ZINC001082635232	909224329	/nfs/dbraw/zinc/22/43/29/909224329.db2.gz	JQDMBMYSJMQEKL-ZWNOBZJWSA-N	1	0	354.248	1.344	20	30		FDEDRO
COc1nccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)n1	ZINC001082636387	909234529	/nfs/dbraw/zinc/23/45/29/909234529.db2.gz	PJBBACJWDQLOPI-SJKOYZFVSA-N	1	0	369.400	1.746	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccn4ccnc4c3)C[C@H]2C)C1=O	ZINC001082640204	909259967	/nfs/dbraw/zinc/25/99/67/909259967.db2.gz	IPDPWTHSMFJSPS-HYVNUMGLSA-N	1	0	367.453	1.171	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccc4[nH]ccc4n3)C[C@H]2C)C1=O	ZINC001082640783	909266361	/nfs/dbraw/zinc/26/63/61/909266361.db2.gz	WQMKPICEWCXKRX-FSPWUOQZSA-N	1	0	367.453	1.400	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082652683	909363008	/nfs/dbraw/zinc/36/30/08/909363008.db2.gz	PEAJOUUFGPGUIY-XVCYEZIBSA-N	1	0	351.450	1.918	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	ZINC001032532751	909466120	/nfs/dbraw/zinc/46/61/20/909466120.db2.gz	HDCZBEQPPYDADT-OKYOBFRVSA-N	1	0	363.502	1.118	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3ccccc3)C[C@H]2O)nn1	ZINC001077813922	909517744	/nfs/dbraw/zinc/51/77/44/909517744.db2.gz	JWTLAOCJJZTSBD-QGPMSJSTSA-N	1	0	355.442	1.390	20	30		FDEDRO
Cc1noc(CCC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)s3)C2)n1	ZINC001082675079	909526651	/nfs/dbraw/zinc/52/66/51/909526651.db2.gz	VOKJQGPZNFAWPN-IAQYHMDHSA-N	1	0	359.455	1.881	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)C1	ZINC001082686074	909573643	/nfs/dbraw/zinc/57/36/43/909573643.db2.gz	UFAOKSLHDCGFFA-VNQPRFMTSA-N	1	0	359.474	1.174	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](CCCc3ccccc3)C[C@H]2O)nn1	ZINC001077814170	909597868	/nfs/dbraw/zinc/59/78/68/909597868.db2.gz	WYZAFUSBLAQPLV-IEBWSBKVSA-N	1	0	369.469	1.262	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[NH2+][C@@H]2CCCN(C)C2=O)CC1	ZINC000997782556	909689987	/nfs/dbraw/zinc/68/99/87/909689987.db2.gz	XAIASZWABSTJNN-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C[C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082708431	909745513	/nfs/dbraw/zinc/74/55/13/909745513.db2.gz	QZCIORFAOMJPLI-RDTXWAMCSA-N	1	0	353.426	1.307	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccc4nonc4c3)C[C@H]2C)C1=O	ZINC001082717689	909807006	/nfs/dbraw/zinc/80/70/06/909807006.db2.gz	MZKMXQZEQLHLDU-SRCQZFHVSA-N	1	0	369.425	1.060	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3C(=O)NC(C)(C)C3=O)C2)C1	ZINC001082729173	909857696	/nfs/dbraw/zinc/85/76/96/909857696.db2.gz	CVRKOAUZCYLSPA-ZIAGYGMSSA-N	1	0	362.474	1.110	20	30		FDEDRO
C=CCn1cccc1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2	ZINC000997884003	909860246	/nfs/dbraw/zinc/86/02/46/909860246.db2.gz	ZVKITESJJVRZRE-SQNIBIBYSA-N	1	0	370.497	1.878	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082746204	909975918	/nfs/dbraw/zinc/97/59/18/909975918.db2.gz	PNGJOYYZKBDNQU-BQDHKBFISA-N	1	0	360.483	1.281	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1=O	ZINC000997919320	909977781	/nfs/dbraw/zinc/97/77/81/909977781.db2.gz	PUXBCCQZCDMEPU-LHIBYTEYSA-N	1	0	373.497	1.025	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3nccc4[nH]ccc43)C[C@H]2C)C1=O	ZINC001082751051	909995131	/nfs/dbraw/zinc/99/51/31/909995131.db2.gz	DRGMSRLFVHTPDB-XOKHGSTOSA-N	1	0	367.453	1.400	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ccnnc3)C[C@H]2C)cc1C#N	ZINC001082761433	910042217	/nfs/dbraw/zinc/04/22/17/910042217.db2.gz	FHFRLBGFDUJAEQ-CXAGYDPISA-N	1	0	351.410	1.607	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCCC3)C2)cc1	ZINC001082789744	910153537	/nfs/dbraw/zinc/15/35/37/910153537.db2.gz	RXWNKYFIXDKEEO-VQIMIIECSA-N	1	0	369.465	1.371	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3oc(CC)nc3C)C2)nn1	ZINC001082791395	910193897	/nfs/dbraw/zinc/19/38/97/910193897.db2.gz	PCKUJDXEDWRFRG-TZMCWYRMSA-N	1	0	358.446	1.573	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2snnc2C)C1	ZINC001082799215	910216977	/nfs/dbraw/zinc/21/69/77/910216977.db2.gz	BLYRMXJCGBXKHK-UJDVCPFMSA-N	1	0	350.488	1.764	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccc(OC)c(C)c3)C[C@H]2C)C1=O	ZINC001082807010	910258913	/nfs/dbraw/zinc/25/89/13/910258913.db2.gz	CEZFVEZCBVQESQ-KBAYOESNSA-N	1	0	371.481	1.841	20	30		FDEDRO
C=C(Cl)C[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1	ZINC000998117079	910391664	/nfs/dbraw/zinc/39/16/64/910391664.db2.gz	QKVMDMWKJWMBEC-QLFBSQMISA-N	1	0	357.882	1.475	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2cnn(C)c2)C1	ZINC001082851145	910462070	/nfs/dbraw/zinc/46/20/70/910462070.db2.gz	QNPWENIYVQFAHB-NVXWUHKLSA-N	1	0	369.469	1.673	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(N)=O)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082853371	910471976	/nfs/dbraw/zinc/47/19/76/910471976.db2.gz	WMCQHQVNVCDWGE-OLMNPRSZSA-N	1	0	369.469	1.428	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccns2)C1	ZINC001082868923	910507734	/nfs/dbraw/zinc/50/77/34/910507734.db2.gz	CTRIHXZWJWSZAG-CZUORRHYSA-N	1	0	356.451	1.800	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nccs2)C1	ZINC001082868824	910507750	/nfs/dbraw/zinc/50/77/50/910507750.db2.gz	WJLRUGSBOFSPRW-UKRRQHHQSA-N	1	0	356.451	1.800	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc(Cl)no3)C[C@H]2C)C1=O	ZINC001082876014	910592159	/nfs/dbraw/zinc/59/21/59/910592159.db2.gz	ZCMSKBFDZFNYGD-IJLUTSLNSA-N	1	0	352.822	1.165	20	30		FDEDRO
COc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(C#N)ccc3F)C2)cnn1C	ZINC001082886405	910648257	/nfs/dbraw/zinc/64/82/57/910648257.db2.gz	XGMZQMFCXXHPET-SJKOYZFVSA-N	1	0	371.416	1.690	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCCCC(=O)N2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082884141	910659491	/nfs/dbraw/zinc/65/94/91/910659491.db2.gz	FKWQJKGHAXNKIS-AYOQOUSVSA-N	1	0	368.481	1.944	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCN(CC=C)C2=O)C1	ZINC001082884986	910665483	/nfs/dbraw/zinc/66/54/83/910665483.db2.gz	WZHGYAGOVWJLBA-NSISKUIASA-N	1	0	365.477	1.434	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082931706	910974960	/nfs/dbraw/zinc/97/49/60/910974960.db2.gz	KUOHTUVSTPZXMD-XYPHTWIQSA-N	1	0	361.467	1.072	20	30		FDEDRO
C=C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1)c1ccccc1	ZINC001082937038	911018940	/nfs/dbraw/zinc/01/89/40/911018940.db2.gz	HZAWOWYONQDTTH-VNQPRFMTSA-N	1	0	355.442	1.015	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CCC[NH+]2CCC4)C3)c1	ZINC000998558143	911224457	/nfs/dbraw/zinc/22/44/57/911224457.db2.gz	DMWRCVYCZDWBJR-VYDXJSESSA-N	1	0	367.453	1.376	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(C#N)c[nH]2)C1	ZINC000998625165	911330200	/nfs/dbraw/zinc/33/02/00/911330200.db2.gz	LVUPWAHKNUPPJL-GUSZCTEKSA-N	1	0	355.442	1.090	20	30		FDEDRO
COc1ccccc1CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C#N)[C@H]2C1	ZINC001083027122	911611637	/nfs/dbraw/zinc/61/16/37/911611637.db2.gz	ZPCLZLTWSMGZAC-HHXXYDBFSA-N	1	0	357.454	1.699	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccn4c[nH+]cc4c2)C3)c1	ZINC000998812976	911719153	/nfs/dbraw/zinc/71/91/53/911719153.db2.gz	HICXWNFFHDBRSX-HFTRVMKXSA-N	1	0	374.404	1.710	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4c(c3)N(C)CCO4)[C@H]2C1	ZINC001083120495	911931363	/nfs/dbraw/zinc/93/13/63/911931363.db2.gz	PPARHCQJMPDENH-PKOBYXMFSA-N	1	0	355.438	1.064	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)[C@H]2C1	ZINC001083098893	912001167	/nfs/dbraw/zinc/00/11/67/912001167.db2.gz	LCHSKOCYJSMDDV-IXDOHACOSA-N	1	0	363.502	1.511	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(NC(=O)CC)c3)[C@H]2C1	ZINC001083098760	912001723	/nfs/dbraw/zinc/00/17/23/912001723.db2.gz	FYZCXBCRJYAMFO-ZWKOTPCHSA-N	1	0	355.438	1.584	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cn(-c4cccnc4)nn3)[C@H]2C1	ZINC001083100314	912014722	/nfs/dbraw/zinc/01/47/22/912014722.db2.gz	FIMZPAUMOPAXRE-ZWKOTPCHSA-N	1	0	368.441	1.154	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@H]2CC[N@@H+](C)C2)cc1	ZINC000999073566	912028271	/nfs/dbraw/zinc/02/82/71/912028271.db2.gz	SSDPZDZDPGBCFF-LMCOJAPRSA-N	1	0	365.477	1.871	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1	ZINC000730282487	916462155	/nfs/dbraw/zinc/46/21/55/916462155.db2.gz	MPCVEZZUMBPDMB-HKUYNNGSSA-N	1	0	368.481	1.420	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CCN(Cc4ccccc4C#N)C[C@H]32)C1	ZINC001084775816	917000358	/nfs/dbraw/zinc/00/03/58/917000358.db2.gz	VNTZDXKTYGEICT-NSISKUIASA-N	1	0	352.482	1.933	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH2+]CCS(=O)(=O)N2CCSCC2)cc1	ZINC000730578742	917004950	/nfs/dbraw/zinc/00/49/50/917004950.db2.gz	NKUMSYCFTATZDB-CQSZACIVSA-N	1	0	369.512	1.446	20	30		FDEDRO
CC(C)[NH2+][C@@H]1CCCN(CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1	ZINC000731032350	917644063	/nfs/dbraw/zinc/64/40/63/917644063.db2.gz	HVMPPOUBQYLLLS-GDBMZVCRSA-N	1	0	367.453	1.974	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4cccnc4)C[C@H]32)CC1	ZINC001084851261	917660695	/nfs/dbraw/zinc/66/06/95/917660695.db2.gz	UOEVONBVSFKNQJ-WOJBJXKFSA-N	1	0	352.482	1.460	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN([C@H](C)c4nnc(C)o4)C[C@H]32)CC1	ZINC001084851299	917660778	/nfs/dbraw/zinc/66/07/78/917660778.db2.gz	WRXCZSAJVXTOPH-ZTFGCOKTSA-N	1	0	371.485	1.317	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1	ZINC000731123297	917733545	/nfs/dbraw/zinc/73/35/45/917733545.db2.gz	ORYYSZOBUNWUCZ-JKSUJKDBSA-N	1	0	357.454	1.874	20	30		FDEDRO
C=CCC(C)(C)C(=O)NC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCO1	ZINC001065212326	918011104	/nfs/dbraw/zinc/01/11/04/918011104.db2.gz	JYRZHGAJEMVAAB-IXDOHACOSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ncoc4C)C[C@@H]32)C1=O	ZINC001084901001	918127152	/nfs/dbraw/zinc/12/71/52/918127152.db2.gz	ZRBHWMHOFCLWGI-XHSDSOJGSA-N	1	0	358.442	1.306	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ncoc4C)C[C@@H]32)C1=O	ZINC001084901000	918127825	/nfs/dbraw/zinc/12/78/25/918127825.db2.gz	ZRBHWMHOFCLWGI-JYJNAYRXSA-N	1	0	358.442	1.306	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4n[nH]c(C)c4C)C[C@@H]32)C1=O	ZINC001084908498	918221761	/nfs/dbraw/zinc/22/17/61/918221761.db2.gz	GREHSGYFXTZMSB-ULQDDVLXSA-N	1	0	371.485	1.350	20	30		FDEDRO
Cc1c(C(=O)N2CC[C@H]3CC[N@H+](Cc4cccc(C#N)c4)[C@H]3C2)nnn1C	ZINC001084910141	918233753	/nfs/dbraw/zinc/23/37/53/918233753.db2.gz	CMLUSSQPYAMVFH-MSOLQXFVSA-N	1	0	364.453	1.732	20	30		FDEDRO
Cn1cc(CC[N@@H+]2CC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)cn1	ZINC001084914961	918279670	/nfs/dbraw/zinc/27/96/70/918279670.db2.gz	QPBPILNQQJQUDP-AEFFLSMTSA-N	1	0	352.442	1.399	20	30		FDEDRO
O=C([C@H]1CCNC(=O)C1)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001084919622	918316108	/nfs/dbraw/zinc/31/61/08/918316108.db2.gz	CYSCFYVEOWHCJQ-AABGKKOBSA-N	1	0	365.477	1.487	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C[C@@H]21	ZINC001084919972	918321099	/nfs/dbraw/zinc/32/10/99/918321099.db2.gz	XYDWDRXWXHQFCA-MDZRGWNJSA-N	1	0	366.465	1.507	20	30		FDEDRO
O=C(C[C@H]1COC(=O)C1)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001084920745	918329803	/nfs/dbraw/zinc/32/98/03/918329803.db2.gz	UQJVGXQVUQXOHK-AQNXPRMDSA-N	1	0	366.461	1.914	20	30		FDEDRO
C[C@H](C(=O)N1CC[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@H]2C1)n1cncn1	ZINC001084924828	918349757	/nfs/dbraw/zinc/34/97/57/918349757.db2.gz	UQASKTVSFJWKCV-LZQZEXGQSA-N	1	0	364.453	1.834	20	30		FDEDRO
O=C(CN1CCOCC1)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001084922404	918370395	/nfs/dbraw/zinc/37/03/95/918370395.db2.gz	ARGFKEYRKIVCOQ-RTWAWAEBSA-N	1	0	367.493	1.293	20	30		FDEDRO
Cn1cc(C(=O)N2CC[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)[C@H]3C2)nn1	ZINC001084934700	918530983	/nfs/dbraw/zinc/53/09/83/918530983.db2.gz	SDBXFWCDDHZGFR-AEFFLSMTSA-N	1	0	350.426	1.423	20	30		FDEDRO
O=S1(=O)C=C(NNc2[nH+]cnc3c2cnn3-c2ccccc2)CCC1	ZINC000731925571	918759977	/nfs/dbraw/zinc/75/99/77/918759977.db2.gz	KROOCXYPOZSABP-UHFFFAOYSA-N	1	0	356.411	1.792	20	30		FDEDRO
N#Cc1cc(S(N)(=O)=O)ccc1N[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000731901707	918769209	/nfs/dbraw/zinc/76/92/09/918769209.db2.gz	JCNOWVPBUGSFDC-MRXNPFEDSA-N	1	0	356.451	1.892	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(=O)[nH]c4ncn(C)c43)C[C@@H]21	ZINC001084955994	918792729	/nfs/dbraw/zinc/79/27/29/918792729.db2.gz	MBUACALWTCYQGW-HIFRSBDPSA-N	1	0	355.442	1.786	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3sccc3-n3ccnn3)C[C@@H]21	ZINC001084966703	918918814	/nfs/dbraw/zinc/91/88/14/918918814.db2.gz	AFVRFAXMODHYAI-ZBFHGGJFSA-N	1	0	355.467	1.889	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ccsn4)C[C@@H]32)C1=O	ZINC001084967661	918938847	/nfs/dbraw/zinc/93/88/47/918938847.db2.gz	NZJZHFHPAKYMCM-IMJJTQAJSA-N	1	0	360.483	1.466	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C[C@@H]21	ZINC001084971684	918972130	/nfs/dbraw/zinc/97/21/30/918972130.db2.gz	WFYXSWMIURAYDE-BARDWOONSA-N	1	0	362.392	1.832	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cnn(C)c3C(F)(F)F)C[C@@H]21	ZINC001084980354	919139298	/nfs/dbraw/zinc/13/92/98/919139298.db2.gz	PRWMSHYIDCMEAI-OCCSQVGLSA-N	1	0	354.376	1.999	20	30		FDEDRO
CN(CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O)[C@H]1CC[N@@H+](C2CC2)C1	ZINC000732188039	919160981	/nfs/dbraw/zinc/16/09/81/919160981.db2.gz	DOIWPHWRBPUVII-PXNSSMCTSA-N	1	0	367.453	1.451	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCN(CC(F)(F)F)C3)C[C@@H]21	ZINC001085017166	919690026	/nfs/dbraw/zinc/69/00/26/919690026.db2.gz	MPOHFHLDQGZJDO-OAGGEKHMSA-N	1	0	357.420	1.817	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)c4c[nH]c(=O)cn4)C[C@@H]32)c1	ZINC001085018586	919712919	/nfs/dbraw/zinc/71/29/19/919712919.db2.gz	GIWPHQFAHSXXFH-AEFFLSMTSA-N	1	0	363.421	1.378	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CCN1C1CC1	ZINC000732664449	919942723	/nfs/dbraw/zinc/94/27/23/919942723.db2.gz	JPFNWKOYMLIMKL-IEBWSBKVSA-N	1	0	353.470	1.492	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3CC[N@H+](C[C@H]4CCCCO4)[C@H]3C2)nn1	ZINC001085051768	920097850	/nfs/dbraw/zinc/09/78/50/920097850.db2.gz	HMRZBIKSORVGQP-NUJGCVRESA-N	1	0	359.474	1.570	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC3CC3)[C@H]2C1	ZINC001085054558	920169511	/nfs/dbraw/zinc/16/95/11/920169511.db2.gz	JWGNXJGKDBJKPO-WMEZAQDKSA-N	1	0	361.486	1.169	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)Cc4ccco4)C[C@@H]32)C1=O	ZINC001085060432	920259585	/nfs/dbraw/zinc/25/95/85/920259585.db2.gz	CRNJGIMNVCDJOU-JQHSSLGASA-N	1	0	357.454	1.532	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)cc1	ZINC000732871065	920276042	/nfs/dbraw/zinc/27/60/42/920276042.db2.gz	BQIZUJMPEPVUEW-RTBURBONSA-N	1	0	371.481	1.969	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(CNC(N)=O)cc3)C[C@@H]21	ZINC001085090122	920738893	/nfs/dbraw/zinc/73/88/93/920738893.db2.gz	DVBTXDKCNGGVIA-AEFFLSMTSA-N	1	0	354.454	1.415	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(CNC(N)=O)cc3)C[C@@H]21	ZINC001085090345	920740647	/nfs/dbraw/zinc/74/06/47/920740647.db2.gz	XVHKLFUFBBFPPA-AEFFLSMTSA-N	1	0	356.470	1.967	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O	ZINC000733321073	920974702	/nfs/dbraw/zinc/97/47/02/920974702.db2.gz	LNEYINDQFOWFSJ-CQSZACIVSA-N	1	0	353.344	1.540	20	30		FDEDRO
COc1ccc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)c(OC)c1OC	ZINC000733333691	920988394	/nfs/dbraw/zinc/98/83/94/920988394.db2.gz	RJDOUJBKBRAKFB-SDXDJHTJSA-N	1	0	361.398	1.328	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1COC(=O)N1	ZINC001085186998	922070244	/nfs/dbraw/zinc/07/02/44/922070244.db2.gz	PMUDRCMAUPDFPU-BZUAXINKSA-N	1	0	360.389	1.323	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1nnc(C)[nH]1	ZINC001085193293	922162548	/nfs/dbraw/zinc/16/25/48/922162548.db2.gz	ZUIAQDVETOZXNN-VXGBXAGGSA-N	1	0	356.268	1.581	20	30		FDEDRO
Cc1nnc(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)[nH]1	ZINC001085194982	922331250	/nfs/dbraw/zinc/33/12/50/922331250.db2.gz	BDXZQRDWXVYVJO-IAGOWNOFSA-N	1	0	352.442	1.745	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(c4ncc(C#N)cc4F)C[C@H]3C2)CC[N@@H+]1C	ZINC001066079508	922550605	/nfs/dbraw/zinc/55/06/05/922550605.db2.gz	AZYLTVWDGXFEDQ-UIBIWLFHSA-N	1	0	371.460	1.717	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3c2ccnc(C#N)n2)CC[N@@H+]1C	ZINC001066201656	922621035	/nfs/dbraw/zinc/62/10/35/922621035.db2.gz	FISFCLXWEULMBX-WCVJEAGWSA-N	1	0	354.458	1.258	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCNC1=O	ZINC001085223361	922935730	/nfs/dbraw/zinc/93/57/30/922935730.db2.gz	HHDSVHMQNSABKW-BMGDILEWSA-N	1	0	354.454	1.601	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC(=O)N1	ZINC001085236835	923025709	/nfs/dbraw/zinc/02/57/09/923025709.db2.gz	VBSDBSQAZMMBHL-KZNAEPCWSA-N	1	0	354.454	1.744	20	30		FDEDRO
CON=C(C(=O)N1CCCC[C@H]1[C@H](C)C[NH+](C)C)c1csc(N)n1	ZINC000824495495	923041788	/nfs/dbraw/zinc/04/17/88/923041788.db2.gz	HRUVNOFBIPZVRJ-YPMHNXCESA-N	1	0	353.492	1.655	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2n[nH]c3c2CCC3)C1=O	ZINC001085256003	923226211	/nfs/dbraw/zinc/22/62/11/923226211.db2.gz	HLTPURMZSPSWEL-ZACQAIPSSA-N	1	0	371.485	1.316	20	30		FDEDRO
C[C@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)CNC(=O)C1	ZINC001085283539	923506488	/nfs/dbraw/zinc/50/64/88/923506488.db2.gz	RXUMPFHRFWHFEN-MBOZVWFJSA-N	1	0	354.454	1.601	20	30		FDEDRO
O=C(N1CCC([N@@H+](CC#Cc2ccccc2)CCO)CC1)[C@]12C[C@H]1COC2	ZINC001098371942	923622201	/nfs/dbraw/zinc/62/22/01/923622201.db2.gz	OGRFUAJLZIBKTI-UGKGYDQZSA-N	1	0	368.477	1.360	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCN(C)C1=O	ZINC001085302481	923677904	/nfs/dbraw/zinc/67/79/04/923677904.db2.gz	QWQRLWPSTPWEJR-YNEHKIRRSA-N	1	0	358.280	1.390	20	30		FDEDRO
CN1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)s2)C1=O	ZINC001085302581	923680338	/nfs/dbraw/zinc/68/03/38/923680338.db2.gz	VXMILONYAYNBCK-ARFHVFGLSA-N	1	0	360.483	1.615	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCN(CC=C)C2=O)c1	ZINC001085326019	923916826	/nfs/dbraw/zinc/91/68/26/923916826.db2.gz	RQRBBGOYMBMDAJ-GUDVDZBRSA-N	1	0	366.465	1.480	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CC(OCC)C2)nn1	ZINC001085357269	924185820	/nfs/dbraw/zinc/18/58/20/924185820.db2.gz	LRAWFXYKUNNTEC-BHUNQDJPSA-N	1	0	361.490	1.910	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12	ZINC000826804656	924317864	/nfs/dbraw/zinc/31/78/64/924317864.db2.gz	QNOTWDVPUZELHL-HLLBOEOZSA-N	1	0	354.458	1.402	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ncccc2F)C1=O	ZINC001085374254	924326244	/nfs/dbraw/zinc/32/62/44/924326244.db2.gz	GSMVYHSFFKNBID-BZUAXINKSA-N	1	0	360.433	1.638	20	30		FDEDRO
C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001085387984	924382207	/nfs/dbraw/zinc/38/22/07/924382207.db2.gz	PDISXYBELFTVCI-KFKAGJAMSA-N	1	0	368.481	1.944	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]3CN(c4ccnc(C#N)n4)C[C@H]32)CC[N@@H+]1C	ZINC001066253008	924513734	/nfs/dbraw/zinc/51/37/34/924513734.db2.gz	FZHICLQFTIWOEV-QKPAOTATSA-N	1	0	354.458	1.116	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]3CN(c4cncc(C#N)n4)C[C@H]32)CC[N@@H+]1C	ZINC001066253402	924527825	/nfs/dbraw/zinc/52/78/25/924527825.db2.gz	YLWUHFHVPOPOKK-YALNPMBYSA-N	1	0	354.458	1.116	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cn2cncn2)cc1C#N	ZINC001085414140	924558566	/nfs/dbraw/zinc/55/85/66/924558566.db2.gz	GFXQFIUUMHIPES-IAGOWNOFSA-N	1	0	368.441	1.376	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1	ZINC000735938402	924685473	/nfs/dbraw/zinc/68/54/73/924685473.db2.gz	XNSSHGDXHZZICF-UHFFFAOYSA-N	1	0	363.345	1.561	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001066267956	924855311	/nfs/dbraw/zinc/85/53/11/924855311.db2.gz	QQJBYUCSPXMXBO-BRWVUGGUSA-N	1	0	351.491	1.417	20	30		FDEDRO
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CC[NH+](CC2CCOCC2)CC1	ZINC000739916303	925323137	/nfs/dbraw/zinc/32/31/37/925323137.db2.gz	XHJVUIYRHGYRKO-LJQANCHMSA-N	1	0	357.454	1.817	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC001085867311	925340129	/nfs/dbraw/zinc/34/01/29/925340129.db2.gz	IRAOGGUWTOBWHS-ZIFCJYIRSA-N	1	0	354.454	1.157	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)NCC)cc2)CC1	ZINC000740736486	925419946	/nfs/dbraw/zinc/41/99/46/925419946.db2.gz	WINDMWTUXVWRTL-UHFFFAOYSA-N	1	0	363.483	1.202	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(C(=O)OCC(=O)N(C)C(C)(C)C#N)cc2)CC1	ZINC000741339968	925714214	/nfs/dbraw/zinc/71/42/14/925714214.db2.gz	AHTCNRYVZMFAHY-UHFFFAOYSA-N	1	0	372.469	1.746	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)CC1	ZINC001066361934	925753049	/nfs/dbraw/zinc/75/30/49/925753049.db2.gz	UXEKJZPZWZCRSX-ZACQAIPSSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cn(C(C)C)nn2)C1	ZINC001086089303	925944547	/nfs/dbraw/zinc/94/45/47/925944547.db2.gz	TWPQMTCLDUUKNV-ATLSCFEFSA-N	1	0	361.490	1.825	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1	ZINC000742391259	926038701	/nfs/dbraw/zinc/03/87/01/926038701.db2.gz	FMCIMKFDLZNMNL-HBUWYVDXSA-N	1	0	353.426	1.995	20	30		FDEDRO
COc1ccc(C[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)cc1C#N	ZINC000742370749	926041955	/nfs/dbraw/zinc/04/19/55/926041955.db2.gz	LPGAHDKCMTWKMF-MRXNPFEDSA-N	1	0	367.471	1.145	20	30		FDEDRO
C[C@@H](CC(=O)NCC[NH2+]C(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21	ZINC000743483521	926375705	/nfs/dbraw/zinc/37/57/05/926375705.db2.gz	AIXHRVFDYJPONO-LBPRGKRZSA-N	1	0	366.487	1.008	20	30		FDEDRO
CC(=NNC(=S)NC[C@@H]1CCCO1)c1cccc(OCC[NH+](C)C)c1	ZINC000743525999	926383769	/nfs/dbraw/zinc/38/37/69/926383769.db2.gz	MTJGVRJPRIJGAM-KRWDZBQOSA-N	1	0	364.515	1.994	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000743886423	926487185	/nfs/dbraw/zinc/48/71/85/926487185.db2.gz	QGRFOTVXIQIDFT-ZBFHGGJFSA-N	1	0	359.401	1.519	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1	ZINC000743944952	926506028	/nfs/dbraw/zinc/50/60/28/926506028.db2.gz	OTOISWGXLHLUAL-GOSISDBHSA-N	1	0	355.438	1.366	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1	ZINC000743946001	926523351	/nfs/dbraw/zinc/52/33/51/926523351.db2.gz	GBUMGVWHNWZKKR-KRWDZBQOSA-N	1	0	356.426	1.256	20	30		FDEDRO
COC(=O)CC[N@H+](CC(=O)Nc1sccc1C#N)C1CCOCC1	ZINC000744425798	926675800	/nfs/dbraw/zinc/67/58/00/926675800.db2.gz	CDQMXIXIDKZMCD-UHFFFAOYSA-N	1	0	351.428	1.602	20	30		FDEDRO
NC(=[NH+]OCc1nnc(C2CC2)o1)c1ccc(N2CCC(O)CC2)cc1	ZINC000744442798	926686775	/nfs/dbraw/zinc/68/67/75/926686775.db2.gz	MPFGQNCQIXHXBU-UHFFFAOYSA-N	1	0	357.414	1.745	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1	ZINC001066495660	926691876	/nfs/dbraw/zinc/69/18/76/926691876.db2.gz	ALRPGMIUSBRHCU-RYRKJORJSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ncnn2CCF)C1	ZINC001086369201	926863065	/nfs/dbraw/zinc/86/30/65/926863065.db2.gz	VZBGCNUKSSBQJY-FPCVCCKLSA-N	1	0	365.453	1.213	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccnc(N(C)C)c2)C1	ZINC001086480955	927516921	/nfs/dbraw/zinc/51/69/21/927516921.db2.gz	HKPXZQPRRZVMOI-TVFCKZIOSA-N	1	0	358.486	1.723	20	30		FDEDRO
C=C(Br)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2cncn2C)C1	ZINC001086482166	927525173	/nfs/dbraw/zinc/52/51/73/927525173.db2.gz	RFNFQASLVPPQIH-AAVRWANBSA-N	1	0	367.291	1.917	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ncnn2CC)C1	ZINC001086500259	927660333	/nfs/dbraw/zinc/66/03/33/927660333.db2.gz	TXMRJSGUFSKKSM-OVWQWFNUSA-N	1	0	361.490	1.654	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)C1	ZINC001086502899	927681686	/nfs/dbraw/zinc/68/16/86/927681686.db2.gz	RZFYAQCUERQUTE-TXTZMMAHSA-N	1	0	363.502	1.461	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)c1	ZINC000425316084	927899579	/nfs/dbraw/zinc/89/95/79/927899579.db2.gz	XPONBHVWXFLUPM-GOSISDBHSA-N	1	0	369.469	1.049	20	30		FDEDRO
CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2cnn(CC#N)c2)C1	ZINC000746402448	927949154	/nfs/dbraw/zinc/94/91/54/927949154.db2.gz	JGLSCMUNXFMQCQ-CQSZACIVSA-N	1	0	360.462	1.362	20	30		FDEDRO
C=CCCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1OCCO[C@H]1C)C[C@H](C)O2	ZINC001111545552	927976081	/nfs/dbraw/zinc/97/60/81/927976081.db2.gz	JTDLAEVBOKQEOT-BZSNNMDCSA-N	1	0	366.502	1.838	20	30		FDEDRO
C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCCCC[NH+](C)C	ZINC000766382589	927979306	/nfs/dbraw/zinc/97/93/06/927979306.db2.gz	LXFTYZNWPJISAF-CQSZACIVSA-N	1	0	367.471	1.500	20	30		FDEDRO
N#Cc1nc(Br)cnc1-n1nnc(-c2cccc(C[NH3+])c2)n1	ZINC001168884672	928165132	/nfs/dbraw/zinc/16/51/32/928165132.db2.gz	LOKJDTWGUHZAIW-UHFFFAOYSA-N	1	0	357.175	1.212	20	30		FDEDRO
CC[C@H](C)[C@H]([NH2+][C@@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1)C(=O)NO	ZINC001168919778	928183889	/nfs/dbraw/zinc/18/38/89/928183889.db2.gz	JMNWTHISMSMFMG-JOQOYGCGSA-N	1	0	363.458	1.696	20	30		FDEDRO
C[C@@H]1CN(Cn2cc3c(c(C#N)c2=O)CCC3)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000766631364	928361743	/nfs/dbraw/zinc/36/17/43/928361743.db2.gz	GDZPYTKPOVTSMT-UZLBHIALSA-N	1	0	369.513	1.124	20	30		FDEDRO
C#Cc1cccc(N(CC)CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1	ZINC000103145898	928368811	/nfs/dbraw/zinc/36/88/11/928368811.db2.gz	VAYSGTQOVNHAIE-FQEVSTJZSA-N	1	0	357.498	1.967	20	30		FDEDRO
COc1cc(C#N)cc(NCc2ncn3c2C[NH2+]CCC3)c1OC(C)=O	ZINC001169242256	928370813	/nfs/dbraw/zinc/37/08/13/928370813.db2.gz	GFYPRSYVSZMZHR-UHFFFAOYSA-N	1	0	355.398	1.794	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(Cn2cc3c(c(C#N)c2=O)CCC3)C1	ZINC000766638638	928376490	/nfs/dbraw/zinc/37/64/90/928376490.db2.gz	VTFCDSRVBGWUDE-QGZVFWFLSA-N	1	0	358.486	1.599	20	30		FDEDRO
C#C[C@H](C)N(C)CN1C(=O)N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O	ZINC000766664935	928461667	/nfs/dbraw/zinc/46/16/67/928461667.db2.gz	RNLNPPSMHPACEB-JXFKEZNVSA-N	1	0	354.454	1.484	20	30		FDEDRO
Cc1ccc(C(=NO)Nc2nc(N3CCC(C[NH3+])CC3)ncc2C)nc1	ZINC001169406017	928508601	/nfs/dbraw/zinc/50/86/01/928508601.db2.gz	KKSHICDNGBEPEG-UHFFFAOYSA-N	1	0	355.446	1.911	20	30		FDEDRO
C=CCCC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CCO[C@H]3C(=C)C)CC2=O)C1	ZINC001108581023	928955318	/nfs/dbraw/zinc/95/53/18/928955318.db2.gz	ZJXSHKKFOWSHBB-IEZWGBDMSA-N	1	0	361.486	1.335	20	30		FDEDRO
COC(=O)n1ncc(C#N)c1Nc1nc(C[NH3+])ccc1NC(=O)C(C)(C)C	ZINC001169964820	928981574	/nfs/dbraw/zinc/98/15/74/928981574.db2.gz	KEZBQSXMJGCVBB-UHFFFAOYSA-N	1	0	371.401	1.951	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H](C)Cc2cnn(C)c2)[C@@H](n2ccnn2)C1	ZINC001129366008	929277340	/nfs/dbraw/zinc/27/73/40/929277340.db2.gz	KMYXTGJKWDJXRF-NXHRZFHOSA-N	1	0	371.489	1.198	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnc3c1CCCC3)C2	ZINC001109528897	929684200	/nfs/dbraw/zinc/68/42/00/929684200.db2.gz	POJPCMAWWHFGEV-AYBZRNKSSA-N	1	0	358.486	1.686	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CN1CCCC1=O	ZINC001109596427	929905130	/nfs/dbraw/zinc/90/51/30/929905130.db2.gz	QSVBYMXVGBINHC-NCOADZHNSA-N	1	0	363.502	1.294	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3cnc(C)n3C1)C2	ZINC001109646460	930001592	/nfs/dbraw/zinc/00/15/92/930001592.db2.gz	XNSRTIIYXWOYOK-NBMJBFSESA-N	1	0	358.486	1.678	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@H+](C)CCCOc2cccc(Cl)c2)CC1	ZINC000746503901	930015829	/nfs/dbraw/zinc/01/58/29/930015829.db2.gz	PDKVLDSMZFNPHS-UHFFFAOYSA-N	1	0	363.889	1.818	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](O)COCC(C)C)c1	ZINC001109696963	930140893	/nfs/dbraw/zinc/14/08/93/930140893.db2.gz	QAUPNGHLNDTGCV-FYQPLNBISA-N	1	0	371.481	1.432	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc(-n3cccn3)c1)C2	ZINC001109709800	930184374	/nfs/dbraw/zinc/18/43/74/930184374.db2.gz	YFJAIMCDULELRT-SQNIBIBYSA-N	1	0	367.453	1.805	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn(C)nc1Cl)C2	ZINC001109717452	930199068	/nfs/dbraw/zinc/19/90/68/930199068.db2.gz	QNMJPXGXBNPRBB-ILXRZTDVSA-N	1	0	352.866	1.540	20	30		FDEDRO
COC(=O)C[C@]1([NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)CCCOC1	ZINC000770699857	930212212	/nfs/dbraw/zinc/21/22/12/930212212.db2.gz	ITGDEKPHCMUJOJ-QGZVFWFLSA-N	1	0	365.817	1.852	20	30		FDEDRO
Cn1ncc(CCC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)n1	ZINC001109725125	930233534	/nfs/dbraw/zinc/23/35/34/930233534.db2.gz	ZYTPSPHPWXLIND-QYZOEREBSA-N	1	0	364.453	1.541	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000770805329	930266519	/nfs/dbraw/zinc/26/65/19/930266519.db2.gz	IATWZRWOONOFLS-HNNXBMFYSA-N	1	0	366.483	1.827	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000770807315	930268131	/nfs/dbraw/zinc/26/81/31/930268131.db2.gz	LWDGXWHGJHXNDZ-OAHLLOKOSA-N	1	0	366.483	1.827	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cccn1	ZINC001109804157	930494100	/nfs/dbraw/zinc/49/41/00/930494100.db2.gz	FJHKNUGUWMHGSG-OWSLCNJRSA-N	1	0	359.474	1.076	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1nc3n(c1=O)CCCC3)C2	ZINC001109936077	930813611	/nfs/dbraw/zinc/81/36/11/930813611.db2.gz	JPKCDXACGLPQHT-YVSFHVDLSA-N	1	0	373.501	1.457	20	30		FDEDRO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@H](CCO)C2CC2)CC1	ZINC000771796550	930893014	/nfs/dbraw/zinc/89/30/14/930893014.db2.gz	QSRKTZQKVHVKKH-CVEARBPZSA-N	1	0	362.499	1.208	20	30		FDEDRO
C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C#N)s1	ZINC001109977418	930936128	/nfs/dbraw/zinc/93/61/28/930936128.db2.gz	IOSLDHMHVBRHLO-COXVUDFISA-N	1	0	362.499	1.419	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCO[C@@H]2CCOC2)cn1	ZINC001110001272	931011697	/nfs/dbraw/zinc/01/16/97/931011697.db2.gz	UQHWFOFBCGOYJX-ZRNYENFQSA-N	1	0	369.465	1.594	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC(C)C)NC(C)=O)C2	ZINC001110010389	931054778	/nfs/dbraw/zinc/05/47/78/931054778.db2.gz	VKTKROLBERSZKQ-XDNAFOTISA-N	1	0	351.491	1.461	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)NCCOc2ccc(F)cc2)CC1	ZINC000772114193	931081635	/nfs/dbraw/zinc/08/16/35/931081635.db2.gz	LUOJIBHNKHMUAO-UHFFFAOYSA-N	1	0	362.401	1.209	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)NCc2cccc(OCCC)c2)CC1	ZINC000772124440	931088491	/nfs/dbraw/zinc/08/84/91/931088491.db2.gz	YCEUHCPRSUUDRQ-UHFFFAOYSA-N	1	0	372.465	1.980	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)N2CCC(c3ccccc3)=N2)CC1	ZINC000772132962	931092947	/nfs/dbraw/zinc/09/29/47/931092947.db2.gz	GZAWCJQSQRLEHE-UHFFFAOYSA-N	1	0	353.422	1.511	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CCC)C2	ZINC001110021496	931103848	/nfs/dbraw/zinc/10/38/48/931103848.db2.gz	FDVBWXHRYMUMPA-SQNIBIBYSA-N	1	0	362.518	1.250	20	30		FDEDRO
CC[NH+](CC)CCOC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21	ZINC000772162607	931118036	/nfs/dbraw/zinc/11/80/36/931118036.db2.gz	VFVDPMKYDUHLPL-ZDUSSCGKSA-N	1	0	367.471	1.389	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1nc(C)n(C)c1=O)C2	ZINC001110051063	931265828	/nfs/dbraw/zinc/26/58/28/931265828.db2.gz	LLUAKBSDFVLPND-IKGGRYGDSA-N	1	0	363.506	1.582	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)cc1	ZINC000772601449	931396070	/nfs/dbraw/zinc/39/60/70/931396070.db2.gz	RGIIOXSJFVVQJW-ZBFHGGJFSA-N	1	0	351.472	1.739	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C)CCOCC1)C2	ZINC001112546408	931438055	/nfs/dbraw/zinc/43/80/55/931438055.db2.gz	JWVURYBSUVKXJF-JXFKEZNVSA-N	1	0	363.502	1.324	20	30		FDEDRO
C#CC[N@@H+](C)[C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1	ZINC001170048069	931469336	/nfs/dbraw/zinc/46/93/36/931469336.db2.gz	KKFDLGKRYPSCST-KGLIPLIRSA-N	1	0	353.488	1.462	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnn(C(F)F)c1)C2	ZINC001112551984	931470062	/nfs/dbraw/zinc/47/00/62/931470062.db2.gz	ZJZVUOZUUSYBLH-YJBOKZPZSA-N	1	0	366.412	1.760	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC(=O)NCC(F)(F)F)C2	ZINC001112554594	931520313	/nfs/dbraw/zinc/52/03/13/931520313.db2.gz	ZTPQKVXBLUBFHD-BBRMVZONSA-N	1	0	361.408	1.849	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCc1ncnn1C)C2	ZINC001112555077	931525507	/nfs/dbraw/zinc/52/55/07/931525507.db2.gz	YDXCQLXVKUGFHQ-YOEHRIQHSA-N	1	0	367.881	1.303	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCn1cnccc1=O)C2	ZINC001112553825	931535809	/nfs/dbraw/zinc/53/58/09/931535809.db2.gz	LPGNEVASNCZXOD-PXNSSMCTSA-N	1	0	358.486	1.818	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCCN1C(N)=O)C2	ZINC001112561135	931586851	/nfs/dbraw/zinc/58/68/51/931586851.db2.gz	IPCKSXANKLYQDA-MPGHIAIKSA-N	1	0	368.909	1.890	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)c1cccnc1)C2	ZINC001112564626	931608450	/nfs/dbraw/zinc/60/84/50/931608450.db2.gz	GPXMNMFWRGNXNK-MMOPVJDHSA-N	1	0	368.481	1.153	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1)c1ccccc1	ZINC001112564672	931608774	/nfs/dbraw/zinc/60/87/74/931608774.db2.gz	IYKBVSTTZDNEKM-MDKPJZGXSA-N	1	0	368.481	1.648	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)c1ccccc1)C2	ZINC001112564912	931609472	/nfs/dbraw/zinc/60/94/72/931609472.db2.gz	ZBXJRIUYRBEZIS-JLMWRMLUSA-N	1	0	367.493	1.758	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CN(C(C)=O)CCO1)C2	ZINC001112572093	931666215	/nfs/dbraw/zinc/66/62/15/931666215.db2.gz	DLCPCQDXOWOKGD-BJLQDIEVSA-N	1	0	363.502	1.418	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)c1ccccc1C)C2	ZINC001112575048	931699696	/nfs/dbraw/zinc/69/96/96/931699696.db2.gz	ORLGGDWSRJCFSH-AVRDEDQJSA-N	1	0	367.493	1.966	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCN1CCCC1=O)C2	ZINC001112580529	931726832	/nfs/dbraw/zinc/72/68/32/931726832.db2.gz	RLYJLDYMSIFOCR-PXNSSMCTSA-N	1	0	363.502	1.420	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)c1ccccc1F)C2	ZINC001112578529	931734598	/nfs/dbraw/zinc/73/45/98/931734598.db2.gz	SRTGJWLHJBYCOR-YWZLYKJASA-N	1	0	357.429	1.407	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COc1ccc(C(N)=O)cc1)C2	ZINC001112582233	931748237	/nfs/dbraw/zinc/74/82/37/931748237.db2.gz	NQLSBMMGAYEYKZ-UWJYYQICSA-N	1	0	369.465	1.406	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COc1ccc(C(N)=O)cc1)C2	ZINC001112582129	931748253	/nfs/dbraw/zinc/74/82/53/931748253.db2.gz	JERQTCVPVTWSNM-JXFKEZNVSA-N	1	0	357.454	1.569	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C(C)=O)c1ccccc1)C2	ZINC001112583778	931757606	/nfs/dbraw/zinc/75/76/06/931757606.db2.gz	JBRYAMDGNDPNEF-RXVVDRJESA-N	1	0	353.466	1.891	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOC)C1	ZINC001112585875	931767776	/nfs/dbraw/zinc/76/77/76/931767776.db2.gz	WUCVRUAYFDFYFN-KXBFYZLASA-N	1	0	366.506	1.115	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)OCCOCC)C2	ZINC001112584896	931787201	/nfs/dbraw/zinc/78/72/01/931787201.db2.gz	OHQLXFOEBCPVEI-BJLQDIEVSA-N	1	0	368.518	1.849	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(C)C)C1	ZINC001112589228	931802055	/nfs/dbraw/zinc/80/20/55/931802055.db2.gz	PYAYHOXXNWKYTP-GJYPPUQNSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)C(=O)NCC=C)C1	ZINC001112589100	931802150	/nfs/dbraw/zinc/80/21/50/931802150.db2.gz	LIXBYIRCIPOIJQ-UWVAXJGDSA-N	1	0	363.502	1.488	20	30		FDEDRO
CCc1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC#CCOC)C2)nn1C	ZINC001112592787	931875092	/nfs/dbraw/zinc/87/50/92/931875092.db2.gz	HTVSXBASMPMKMC-JXFKEZNVSA-N	1	0	358.486	1.464	20	30		FDEDRO
COc1ccc(N2CC[NH+](C[C@H](O)CN3CC[C@@](F)(C#N)C3)CC2)cc1	ZINC000786434826	931915644	/nfs/dbraw/zinc/91/56/44/931915644.db2.gz	AAVYHRAGIVLOFL-PKOBYXMFSA-N	1	0	362.449	1.116	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000787138632	932189965	/nfs/dbraw/zinc/18/99/65/932189965.db2.gz	NXRJJDFYVYOJLM-SFHVURJKSA-N	1	0	365.518	1.951	20	30		FDEDRO
O=S(=O)(NN=C1CCOC[C@@H]1C[NH+]1CCCCC1)c1ccccc1	ZINC000787147343	932195818	/nfs/dbraw/zinc/19/58/18/932195818.db2.gz	HAAHHTRMWHMHQK-HNNXBMFYSA-N	1	0	351.472	1.843	20	30		FDEDRO
C[C@@H](C#N)CN(C)CN1C(=O)N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O	ZINC000746706457	932382365	/nfs/dbraw/zinc/38/23/65/932382365.db2.gz	XDGMMWHXYRKPGL-JXFKEZNVSA-N	1	0	369.469	1.622	20	30		FDEDRO
C[C@H](C#N)CN(C)CN1C(=O)N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O	ZINC000746706459	932382505	/nfs/dbraw/zinc/38/25/05/932382505.db2.gz	XDGMMWHXYRKPGL-OXQOHEQNSA-N	1	0	369.469	1.622	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H](C)c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129393573	932963451	/nfs/dbraw/zinc/96/34/51/932963451.db2.gz	OAIAXZABGZSELA-QRQLOZEOSA-N	1	0	369.469	1.626	20	30		FDEDRO
N#Cc1cccc(-c2cc(C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)on2)c1	ZINC000789919598	933239396	/nfs/dbraw/zinc/23/93/96/933239396.db2.gz	PSVWXHGDUSCAKF-CVEARBPZSA-N	1	0	352.394	1.806	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)CC(C)(C)CNc2cnc(C#N)cn2)CC[N@@H+]1C	ZINC001113463174	933828721	/nfs/dbraw/zinc/82/87/21/933828721.db2.gz	FZKKKFFPQQQHPH-JKSUJKDBSA-N	1	0	358.490	1.975	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)C1	ZINC001086598025	933981752	/nfs/dbraw/zinc/98/17/52/933981752.db2.gz	LVPNNQQMLJJVHS-GBESFXJTSA-N	1	0	368.481	1.385	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1	ZINC001086598109	933983263	/nfs/dbraw/zinc/98/32/63/933983263.db2.gz	POONXSFEGOQSKL-DLBZAZTESA-N	1	0	368.437	1.109	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1	ZINC000793813080	934289969	/nfs/dbraw/zinc/28/99/69/934289969.db2.gz	NYHMSLHLEABGSG-NHYWBVRUSA-N	1	0	360.296	1.638	20	30		FDEDRO
CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1ccc(F)cc1OCC#N	ZINC000794236578	938374787	/nfs/dbraw/zinc/37/47/87/938374787.db2.gz	IPKRXEQXRLYTCH-CQSZACIVSA-N	1	0	352.410	1.942	20	30		FDEDRO
CCN(CCC#N)C(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2	ZINC001114303592	938399339	/nfs/dbraw/zinc/39/93/39/938399339.db2.gz	ANUHEUSTISKCHB-KLTZCBCKSA-N	1	0	370.497	1.397	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)C2(CCOC)CCC2)[C@@H](n2ccnn2)C1	ZINC001129407270	938404707	/nfs/dbraw/zinc/40/47/07/938404707.db2.gz	KTVYDTRAABHYET-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2c(C)n[nH]c2C)[C@@H](n2ccnn2)C1	ZINC001129428221	938414318	/nfs/dbraw/zinc/41/43/18/938414318.db2.gz	UKYGMTJWOXJMAN-VHSSKADRSA-N	1	0	371.489	1.557	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)Cn2ccnc2C)[C@@H](n2ccnn2)C1	ZINC001129433863	938424148	/nfs/dbraw/zinc/42/41/48/938424148.db2.gz	WTAWLZCBGDXFMG-MSOLQXFVSA-N	1	0	371.489	1.571	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccnc(C)n2)[C@@H](n2ccnn2)C1	ZINC001129438406	938425588	/nfs/dbraw/zinc/42/55/88/938425588.db2.gz	UJKONYWVQNWJJR-XKQJLSEDSA-N	1	0	355.446	1.387	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)CCCOC(C)C)[C@@H](n2ccnn2)C1	ZINC001129482379	938434751	/nfs/dbraw/zinc/43/47/51/938434751.db2.gz	VGWWXCQLKZJUKJ-SJORKVTESA-N	1	0	365.478	1.027	20	30		FDEDRO
C=C(C)CN1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1	ZINC001129460378	938435755	/nfs/dbraw/zinc/43/57/55/938435755.db2.gz	LLCRBXWIAZTUFP-SQNIBIBYSA-N	1	0	360.506	1.316	20	30		FDEDRO
C#CCNc1nc(NC[C@](C)(O)C(C)C)[nH+]c(NC[C@](C)(O)C(C)C)n1	ZINC000804449618	938444318	/nfs/dbraw/zinc/44/43/18/938444318.db2.gz	ZSJXGDKILBRIOL-ROUUACIJSA-N	1	0	364.494	1.555	20	30		FDEDRO
CCC(=O)N1C[C@@H]([NH2+]CC#Cc2ccc(Cl)cc2)[C@@H](n2ccnn2)C1	ZINC001129496792	938444396	/nfs/dbraw/zinc/44/43/96/938444396.db2.gz	TZGRZLINBJWAAW-SJORKVTESA-N	1	0	357.845	1.735	20	30		FDEDRO
CC1(C)CC(C[NH2+][C@@H]2CN(C(=O)CSCC#N)C[C@@H]2n2ccnn2)C1	ZINC001129603862	938462892	/nfs/dbraw/zinc/46/28/92/938462892.db2.gz	NHQVARQWQSYJIT-CABCVRRESA-N	1	0	362.503	1.313	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)COC2CCCC2)C[C@@H]1n1ccnn1	ZINC001129623992	938471404	/nfs/dbraw/zinc/47/14/04/938471404.db2.gz	CXDUPHWDPLNHIC-JQHSSLGASA-N	1	0	361.490	1.934	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(C)nn2C)C[C@@H]1n1ccnn1	ZINC001129633261	938474120	/nfs/dbraw/zinc/47/41/20/938474120.db2.gz	IOLWWYTZQAMHFC-LXZKKBNFSA-N	1	0	357.462	1.330	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2CCCCCC2)C[C@@H]1n1ccnn1	ZINC001129659459	938477083	/nfs/dbraw/zinc/47/70/83/938477083.db2.gz	IDCVRLMHDWBAAL-MSOLQXFVSA-N	1	0	359.474	1.240	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H](n2ccnn2)C1	ZINC001129667144	938478712	/nfs/dbraw/zinc/47/87/12/938478712.db2.gz	PKSCJRBKVRASBB-MSOLQXFVSA-N	1	0	350.426	1.658	20	30		FDEDRO
Cc1cccc(OCC[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2n2ccnn2)c1	ZINC001129691195	938486393	/nfs/dbraw/zinc/48/63/93/938486393.db2.gz	QWURMFYEMNFXPL-NXHRZFHOSA-N	1	0	368.441	1.167	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2C)C[C@@H]1n1ccnn1	ZINC001129691215	938486422	/nfs/dbraw/zinc/48/64/22/938486422.db2.gz	RUIIEXRMJSIEHL-XKQJLSEDSA-N	1	0	357.462	1.330	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]([NH2+]Cc2cccc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129678056	938491128	/nfs/dbraw/zinc/49/11/28/938491128.db2.gz	SXBUPEDEUHZBFZ-MSOLQXFVSA-N	1	0	355.442	1.331	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CCC(F)(F)F)C[C@@H]1n1ccnn1	ZINC001129748333	938506558	/nfs/dbraw/zinc/50/65/58/938506558.db2.gz	YABGURJUCLGUCL-OLZOCXBDSA-N	1	0	361.368	1.165	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H]([NH2+]CC/C=C/CCC)[C@@H](n2ccnn2)C1	ZINC001129795733	938509279	/nfs/dbraw/zinc/50/92/79/938509279.db2.gz	NTMAZMQKQYUMGG-BIQAKFSOSA-N	1	0	361.490	1.693	20	30		FDEDRO
CCCCCC[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1n1ccnn1	ZINC001129778568	938513971	/nfs/dbraw/zinc/51/39/71/938513971.db2.gz	WRINXSWQDOYJJB-SJORKVTESA-N	1	0	355.446	1.713	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H]([NH2+]Cc2cccc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129788216	938516260	/nfs/dbraw/zinc/51/62/60/938516260.db2.gz	IIJILYYSVICTBN-WSTZPKSXSA-N	1	0	369.469	1.455	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)CCc2ncc[nH]2)C[C@@H]1n1ccnn1	ZINC001129803509	938517116	/nfs/dbraw/zinc/51/71/16/938517116.db2.gz	OQYYXJGOQQOKJH-SJORKVTESA-N	1	0	371.489	1.722	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCCCO2)[C@@H](n2ccnn2)C1	ZINC001129822224	938521895	/nfs/dbraw/zinc/52/18/95/938521895.db2.gz	LHFYTBNWYLSTQA-KURKYZTESA-N	1	0	359.474	1.238	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCOC2)[C@@H](n2ccnn2)C1	ZINC001129825122	938522995	/nfs/dbraw/zinc/52/29/95/938522995.db2.gz	MGPCCVFYDZYYKQ-ZACQAIPSSA-N	1	0	359.474	1.096	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CCC2=CCCCC2)[C@@H](n2ccnn2)C1	ZINC001129829235	938523471	/nfs/dbraw/zinc/52/34/71/938523471.db2.gz	BVPBOUNKHBLTKR-QRQLOZEOSA-N	1	0	371.485	1.548	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc3scnc32)C[C@@H]1n1ccnn1	ZINC001129844117	938525004	/nfs/dbraw/zinc/52/50/04/938525004.db2.gz	COLDKYWKHOBGBR-CABCVRRESA-N	1	0	366.450	1.566	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3n[nH]cc32)C[C@@H]1n1ccnn1	ZINC001129844755	938525265	/nfs/dbraw/zinc/52/52/65/938525265.db2.gz	JBVAZWWAMNEDDI-QGTPRVQTSA-N	1	0	369.473	1.429	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2ccnc2CC)C[C@@H]1n1ccnn1	ZINC001129856148	938529032	/nfs/dbraw/zinc/52/90/32/938529032.db2.gz	YIMVTOUHMRHUFV-BBWFWOEESA-N	1	0	371.489	1.606	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC(=O)N(C)C2)C1	ZINC001086625458	938529334	/nfs/dbraw/zinc/52/93/34/938529334.db2.gz	BSXGGBLQFNCEJL-CEXWTWQISA-N	1	0	353.466	1.462	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCOc2ccc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001129878959	938536293	/nfs/dbraw/zinc/53/62/93/938536293.db2.gz	MARNOUQIQCZOCY-MSOLQXFVSA-N	1	0	367.453	1.339	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCOc2cccc(C)c2C)C[C@@H]1n1ccnn1	ZINC001129884886	938539260	/nfs/dbraw/zinc/53/92/60/938539260.db2.gz	VOVXLKGFYLCCNF-MSOLQXFVSA-N	1	0	367.453	1.339	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2[nH]ccc2C2CC2)C[C@@H]1n1ccnn1	ZINC001129887474	938539823	/nfs/dbraw/zinc/53/98/23/938539823.db2.gz	ADZKZVITJRZYGA-SJORKVTESA-N	1	0	370.457	1.342	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(=O)[nH]c(C3CC3)c2)C[C@@H]1n1ccnn1	ZINC001129890457	938541427	/nfs/dbraw/zinc/54/14/27/938541427.db2.gz	JVKCGBZCNWJGKK-SJORKVTESA-N	1	0	368.441	1.488	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]([NH2+]C[C@@H](C)OC)[C@@H](n2ccnn2)C1	ZINC001129867682	938544205	/nfs/dbraw/zinc/54/42/05/938544205.db2.gz	WRKXFQQDNAZVNH-BNOWGMLFSA-N	1	0	355.870	1.433	20	30		FDEDRO
O=C(c1cc[nH]c1)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129872590	938545375	/nfs/dbraw/zinc/54/53/75/938545375.db2.gz	YXBKDABYQKVUCU-MOPGFXCFSA-N	1	0	360.421	1.313	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccn(C(C)(C)C)n2)C[C@@H]1n1ccnn1	ZINC001129876685	938546992	/nfs/dbraw/zinc/54/69/92/938546992.db2.gz	WEJZWUXHCDXQOC-CVEARBPZSA-N	1	0	357.462	1.461	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2onc(C)c2C)C[C@@H]1n1ccnn1	ZINC001129902678	938547139	/nfs/dbraw/zinc/54/71/39/938547139.db2.gz	YFEUEBWZZKTIFC-MAZHCROVSA-N	1	0	358.446	1.893	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH]ccc-3n2)C[C@@H]1n1ccnn1	ZINC001129910506	938550169	/nfs/dbraw/zinc/55/01/69/938550169.db2.gz	WMHPIMBDZVRADL-SJORKVTESA-N	1	0	351.414	1.386	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(F)F)ncn2)C[C@@H]1n1ccnn1	ZINC001129910482	938550218	/nfs/dbraw/zinc/55/02/18/938550218.db2.gz	VHLWQULUCMIUKL-KGLIPLIRSA-N	1	0	363.372	1.237	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H]([NH2+]CC#CC)[C@@H](n2ccnn2)C1	ZINC001129912667	938551607	/nfs/dbraw/zinc/55/16/07/938551607.db2.gz	UQLYESWEGHYZRJ-MSOLQXFVSA-N	1	0	365.437	1.522	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(C)cc2Cl)C[C@@H]1n1ccnn1	ZINC001129912717	938551609	/nfs/dbraw/zinc/55/16/09/938551609.db2.gz	WZGPUWBSEUODKO-MSOLQXFVSA-N	1	0	371.872	1.847	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3ccncc3s2)C[C@@H]1n1ccnn1	ZINC001129894398	938555643	/nfs/dbraw/zinc/55/56/43/938555643.db2.gz	FQKQBDPUXWUTNL-CABCVRRESA-N	1	0	366.450	1.566	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@@H]1n1ccnn1	ZINC001129897609	938558366	/nfs/dbraw/zinc/55/83/66/938558366.db2.gz	BVCCJODVARHFSI-SRABZTEZSA-N	1	0	355.446	1.113	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2nc(CC)c[nH]2)C[C@@H]1n1ccnn1	ZINC001129898151	938558647	/nfs/dbraw/zinc/55/86/47/938558647.db2.gz	OIIXPJIPAIAPBR-UAGQMJEPSA-N	1	0	371.489	1.503	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3cc(F)ccc32)C[C@@H]1n1ccnn1	ZINC001129931983	938562079	/nfs/dbraw/zinc/56/20/79/938562079.db2.gz	IEGOYBGVIGXALA-OTWHNJEPSA-N	1	0	367.428	1.512	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2(COC)CCC2)C[C@@H]1n1ccnn1	ZINC001129938204	938564899	/nfs/dbraw/zinc/56/48/99/938564899.db2.gz	RCOVWXGBDWCUMX-ZACQAIPSSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)cn3ccnc23)C[C@@H]1n1ccnn1	ZINC001129941197	938566377	/nfs/dbraw/zinc/56/63/77/938566377.db2.gz	NQANGIIWPIKEQQ-SJORKVTESA-N	1	0	365.441	1.466	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2c(C)n[nH]c2C)C[C@@H]1n1ccnn1	ZINC001129921009	938568272	/nfs/dbraw/zinc/56/82/72/938568272.db2.gz	KLKDPQPGXHZOMW-XYPHTWIQSA-N	1	0	369.473	1.177	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccnc(C3CC3)c2)C[C@@H]1n1ccnn1	ZINC001129923829	938569737	/nfs/dbraw/zinc/56/97/37/938569737.db2.gz	YYEKICIBCJOOCS-MSOLQXFVSA-N	1	0	352.442	1.782	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3cnccc3o2)C[C@@H]1n1ccnn1	ZINC001129925066	938570649	/nfs/dbraw/zinc/57/06/49/938570649.db2.gz	RLYCRXKVUWZABB-CABCVRRESA-N	1	0	350.382	1.098	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(Cl)cc2F)C[C@@H]1n1ccnn1	ZINC001129927136	938571341	/nfs/dbraw/zinc/57/13/41/938571341.db2.gz	OCWZQYPJEISZRC-CVEARBPZSA-N	1	0	361.808	1.749	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)c(F)c2)C[C@@H]1n1ccnn1	ZINC001129927235	938571343	/nfs/dbraw/zinc/57/13/43/938571343.db2.gz	RCXPZSLZOQFJDF-MSOLQXFVSA-N	1	0	371.416	1.031	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)C2CCOCC2)C[C@@H]1n1ccnn1	ZINC001129927440	938571689	/nfs/dbraw/zinc/57/16/89/938571689.db2.gz	YGILLWLFUIYQBQ-SJORKVTESA-N	1	0	359.474	1.096	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(Cl)n(C)n2)C[C@@H]1n1ccnn1	ZINC001129928881	938572228	/nfs/dbraw/zinc/57/22/28/938572228.db2.gz	RYPDTUYIKJQZPO-KGLIPLIRSA-N	1	0	363.853	1.287	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2nncc3ccccc32)C[C@@H]1n1ccnn1	ZINC001129930745	938573228	/nfs/dbraw/zinc/57/32/28/938573228.db2.gz	RUEKFMQJSVDRTB-SJORKVTESA-N	1	0	363.425	1.453	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(Cl)c(Cl)[nH]2)C[C@@H]1n1ccnn1	ZINC001129952105	938575305	/nfs/dbraw/zinc/57/53/05/938575305.db2.gz	HXGSRFUXXSSFKS-OLZOCXBDSA-N	1	0	367.240	1.592	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1	ZINC001086626413	938575952	/nfs/dbraw/zinc/57/59/52/938575952.db2.gz	MJIKHPXULSVUIQ-KSZLIROESA-N	1	0	356.470	1.690	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](OCC)C2CCCC2)C[C@@H]1n1ccnn1	ZINC001129956298	938576967	/nfs/dbraw/zinc/57/69/67/938576967.db2.gz	CAZNIWVPCJIWCD-FGTMMUONSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2ccn(C(C)C)n2)C[C@@H]1n1ccnn1	ZINC001129943358	938580133	/nfs/dbraw/zinc/58/01/33/938580133.db2.gz	XWJSRKQBUDXLTC-MSOLQXFVSA-N	1	0	371.489	1.606	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1	ZINC001086626808	938587687	/nfs/dbraw/zinc/58/76/87/938587687.db2.gz	FNWUGBWHUCXZDB-OKZBNKHCSA-N	1	0	369.465	1.590	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2nc(Cl)cs2)C[C@@H]1n1ccnn1	ZINC001129977672	938592762	/nfs/dbraw/zinc/59/27/62/938592762.db2.gz	ATLCNZXRLUGTCR-MNOVXSKESA-N	1	0	350.835	1.067	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccncc2)C(C)C)C[C@@H]1n1ccnn1	ZINC001129977788	938593073	/nfs/dbraw/zinc/59/30/73/938593073.db2.gz	FWUSQUTYRXXOIU-CEXWTWQISA-N	1	0	366.469	1.478	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2csc(=O)[nH]2)C[C@@H]1n1ccnn1	ZINC001129978104	938593650	/nfs/dbraw/zinc/59/36/50/938593650.db2.gz	QPOUAXKMGIMHMC-BZPMIXESSA-N	1	0	362.459	1.450	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2csc(=O)[nH]2)C[C@@H]1n1ccnn1	ZINC001129978105	938593707	/nfs/dbraw/zinc/59/37/07/938593707.db2.gz	QPOUAXKMGIMHMC-SCRDCRAPSA-N	1	0	362.459	1.450	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3ccccc3n2C)C[C@@H]1n1ccnn1	ZINC001129980230	938595423	/nfs/dbraw/zinc/59/54/23/938595423.db2.gz	FRJGXPQJDSQGBK-APWZRJJASA-N	1	0	362.437	1.448	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2ncccc2F)C[C@@H]1n1ccnn1	ZINC001129980192	938595440	/nfs/dbraw/zinc/59/54/40/938595440.db2.gz	CVXZECFNFZVVAA-SJORKVTESA-N	1	0	358.421	1.363	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H]([NH2+]CCOC3CCC3)[C@@H](n3ccnn3)C2)C1	ZINC001129997158	938605249	/nfs/dbraw/zinc/60/52/49/938605249.db2.gz	AYVOZYSJEKWGHU-SJORKVTESA-N	1	0	359.474	1.545	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H]([NH2+]Cc3ccnn3C)[C@@H](n3ccnn3)C2)CC1	ZINC001129999168	938606944	/nfs/dbraw/zinc/60/69/44/938606944.db2.gz	NWXDIZJASZUKHE-SJORKVTESA-N	1	0	369.473	1.300	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(F)cc(F)cc2F)C[C@@H]1n1ccnn1	ZINC001129990115	938612195	/nfs/dbraw/zinc/61/21/95/938612195.db2.gz	MTHDRCGVSXTRNE-CABCVRRESA-N	1	0	363.343	1.374	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc3ncccc3c2)C[C@@H]1n1ccnn1	ZINC001129989941	938612227	/nfs/dbraw/zinc/61/22/27/938612227.db2.gz	DEGFCQIIEOEXEO-MOPGFXCFSA-N	1	0	360.421	1.505	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)cc2Cl)C[C@@H]1n1ccnn1	ZINC001130014759	938616327	/nfs/dbraw/zinc/61/63/27/938616327.db2.gz	DJFJXRBQFFLQIJ-SJORKVTESA-N	1	0	357.845	1.919	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ocnc2C(F)F)C[C@@H]1n1ccnn1	ZINC001130007590	938625050	/nfs/dbraw/zinc/62/50/50/938625050.db2.gz	MEYMEAYCUQLUIU-NEPJUHHUSA-N	1	0	366.372	1.825	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H]([NH2+]CCCF)[C@@H](n3ccnn3)C2)cc1	ZINC001130030456	938631939	/nfs/dbraw/zinc/63/19/39/938631939.db2.gz	BBVQPQRFNRLPGJ-MSOLQXFVSA-N	1	0	371.416	1.305	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCC)[C@@H](n2ccnn2)C1	ZINC001130034396	938634648	/nfs/dbraw/zinc/63/46/48/938634648.db2.gz	NXPWTYIJQTUXMG-MHORFTMASA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2c(C)n[nH]c2C)C[C@@H]1n1ccnn1	ZINC001130043821	938642589	/nfs/dbraw/zinc/64/25/89/938642589.db2.gz	BHBURTYJVUBOBG-MAZHCROVSA-N	1	0	357.462	1.628	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2ccccc2F)C[C@@H]1n1ccnn1	ZINC001130043918	938642997	/nfs/dbraw/zinc/64/29/97/938642997.db2.gz	GZALESZRIRKGDQ-OLMNPRSZSA-N	1	0	355.417	1.586	20	30		FDEDRO
CCC[C@@](C)(CC)C(=O)N1C[C@@H]([NH2+]CC#CCOC)[C@@H](n2ccnn2)C1	ZINC001130059392	938648421	/nfs/dbraw/zinc/64/84/21/938648421.db2.gz	JLROZSBMSHKPAX-ZIFCJYIRSA-N	1	0	361.490	1.486	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2C2CC2)C[C@@H]1n1ccnn1	ZINC001130067138	938655832	/nfs/dbraw/zinc/65/58/32/938655832.db2.gz	VSCCADQIYYCUIN-CVEARBPZSA-N	1	0	355.446	1.500	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnn3c2CCCC3)C[C@@H]1n1ccnn1	ZINC001130070601	938657529	/nfs/dbraw/zinc/65/75/29/938657529.db2.gz	AEFXLMBWTJJQRG-AEFFLSMTSA-N	1	0	369.473	1.432	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2nc3ccccn3c2F)C[C@@H]1n1ccnn1	ZINC001130071290	938658324	/nfs/dbraw/zinc/65/83/24/938658324.db2.gz	MJAUDLJOHVSYHV-KGLIPLIRSA-N	1	0	369.404	1.296	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3c(cccc3C)O2)C[C@@H]1n1ccnn1	ZINC001130086206	938667403	/nfs/dbraw/zinc/66/74/03/938667403.db2.gz	PRJUPPQQYRYMBV-AOIWGVFYSA-N	1	0	367.453	1.508	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cccnc2)C[C@@H]1n1ccnn1	ZINC001130088659	938674944	/nfs/dbraw/zinc/67/49/44/938674944.db2.gz	CFNGGPMDJZJGGM-JQHSSLGASA-N	1	0	354.458	1.785	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)CCC=C3)C[C@@H]1n1ccnn1	ZINC001130088834	938675193	/nfs/dbraw/zinc/67/51/93/938675193.db2.gz	KWNJJIHLUTUSFI-UXHICEINSA-N	1	0	361.449	1.916	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@](C)(OC)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130088938	938675621	/nfs/dbraw/zinc/67/56/21/938675621.db2.gz	PYXZDBJNIHKTTN-HBFSDRIKSA-N	1	0	367.453	1.205	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ncccc2OC)C[C@@H]1n1ccnn1	ZINC001130105343	938686261	/nfs/dbraw/zinc/68/62/61/938686261.db2.gz	XRVBKKWSCMNLQA-OAGGEKHMSA-N	1	0	370.457	1.692	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCOc2ccccc2F)C[C@@H]1n1ccnn1	ZINC001130112454	938692021	/nfs/dbraw/zinc/69/20/21/938692021.db2.gz	AIBOOUOZDQVCOD-CVEARBPZSA-N	1	0	359.405	1.414	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccccc2Cl)C[C@@H]1n1ccnn1	ZINC001130114941	938694316	/nfs/dbraw/zinc/69/43/16/938694316.db2.gz	LFZFMYLTQYNQEE-SJORKVTESA-N	1	0	357.845	1.539	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(C)n(C)c2C)C[C@@H]1n1ccnn1	ZINC001130115107	938694617	/nfs/dbraw/zinc/69/46/17/938694617.db2.gz	UPCUGNGYOGKZAO-MSOLQXFVSA-N	1	0	356.474	1.855	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCOc2ccccc2C)C[C@@H]1n1ccnn1	ZINC001130125226	938696031	/nfs/dbraw/zinc/69/60/31/938696031.db2.gz	CQPRVKRTMOPLEN-MSOLQXFVSA-N	1	0	369.469	1.973	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2c(C)noc2C)C[C@@H]1n1ccnn1	ZINC001130119218	938702299	/nfs/dbraw/zinc/70/22/99/938702299.db2.gz	YQMBTEWCLRBMOB-SJORKVTESA-N	1	0	358.446	1.433	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CN(CC)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130133762	938708286	/nfs/dbraw/zinc/70/82/86/938708286.db2.gz	BVMDSRGQUUERCU-MOPGFXCFSA-N	1	0	368.485	1.722	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2ccccc2C)C[C@@H]1n1ccnn1	ZINC001130143061	938714277	/nfs/dbraw/zinc/71/42/77/938714277.db2.gz	MOBMLGPBMJVROV-RLLQIKCJSA-N	1	0	365.481	1.830	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COC2CCC(C)CC2)C[C@@H]1n1ccnn1	ZINC001130153455	938717575	/nfs/dbraw/zinc/71/75/75/938717575.db2.gz	SIBKYQSARFIUQP-HIEASXQVSA-N	1	0	361.490	1.791	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001130155724	938718886	/nfs/dbraw/zinc/71/88/86/938718886.db2.gz	XTHILYQLGUNVLE-MANSERQUSA-N	1	0	367.428	1.586	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CSC)[nH]1	ZINC001130181664	938728711	/nfs/dbraw/zinc/72/87/11/938728711.db2.gz	OXYXFNHKSYRWBV-STQMWFEESA-N	1	0	353.492	1.212	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H](C)OC)n1	ZINC001130193022	938737333	/nfs/dbraw/zinc/73/73/33/938737333.db2.gz	FMXXUQYNLXUILH-AGIUHOORSA-N	1	0	371.869	1.061	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H](C)OC)[nH]1	ZINC001130193459	938738038	/nfs/dbraw/zinc/73/80/38/938738038.db2.gz	ZAONKENQHWDWIE-ILXRZTDVSA-N	1	0	365.478	1.274	20	30		FDEDRO
CCCCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)C#N)[nH]1	ZINC001130203069	938745001	/nfs/dbraw/zinc/74/50/01/938745001.db2.gz	RMHSKNDDSZIMJJ-KKUMJFAQSA-N	1	0	362.478	1.623	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCC(C)(F)F)[nH]1	ZINC001130220476	938747230	/nfs/dbraw/zinc/74/72/30/938747230.db2.gz	ABTVJLXIQIVULM-RYUDHWBXSA-N	1	0	357.405	1.504	20	30		FDEDRO
C#CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C/C=C\Cl)[nH]1	ZINC001130209510	938747604	/nfs/dbraw/zinc/74/76/04/938747604.db2.gz	DPNOTUPHWDKQHU-QDDHOEGMSA-N	1	0	365.865	1.439	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C(F)F)CC2)[nH]1	ZINC001130212988	938750083	/nfs/dbraw/zinc/75/00/83/938750083.db2.gz	NUNOECKBSNKUPR-RYUDHWBXSA-N	1	0	369.416	1.504	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)C2CCC2)[nH]1	ZINC001130221057	938756412	/nfs/dbraw/zinc/75/64/12/938756412.db2.gz	RGIPQAAJSCTBDP-KBMXLJTQSA-N	1	0	359.474	1.343	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)C(C)(C)C)[nH]1	ZINC001130221068	938756422	/nfs/dbraw/zinc/75/64/22/938756422.db2.gz	SDHVRECAIKOARL-ILXRZTDVSA-N	1	0	361.490	1.589	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(F)CCCC2)n1	ZINC001130221054	938756461	/nfs/dbraw/zinc/75/64/61/938756461.db2.gz	REAVGOVCQVSMAB-KBPBESRZSA-N	1	0	363.437	1.189	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)n1	ZINC001130223580	938757513	/nfs/dbraw/zinc/75/75/13/938757513.db2.gz	XVJBMJNHJLCADG-VIQHNZTISA-N	1	0	371.485	1.343	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C)CCCC2)[nH]1	ZINC001130224905	938758970	/nfs/dbraw/zinc/75/89/70/938758970.db2.gz	IGPSCFOTQKQBSF-GJZGRUSLSA-N	1	0	359.474	1.487	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](F)CC)[nH]1	ZINC001130227576	938761172	/nfs/dbraw/zinc/76/11/72/938761172.db2.gz	DZXRDLQCVFZCRZ-IHRRRGAJSA-N	1	0	353.442	1.597	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)[nH]1	ZINC001130232710	938765210	/nfs/dbraw/zinc/76/52/10/938765210.db2.gz	OUQNDNDIBJTHCQ-BPUTZDHNSA-N	1	0	361.490	1.895	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC(C)(F)F)[nH]1	ZINC001130232919	938765307	/nfs/dbraw/zinc/76/53/07/938765307.db2.gz	UBQFOTGAXRSRNZ-RYUDHWBXSA-N	1	0	357.405	1.504	20	30		FDEDRO
C=C1CC(C)(C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CCF)[nH]2)C1	ZINC001130235060	938766086	/nfs/dbraw/zinc/76/60/86/938766086.db2.gz	SRZWKHBXIUSXSO-STQMWFEESA-N	1	0	351.426	1.209	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CC3(CC3)C2)n1	ZINC001130235192	938766485	/nfs/dbraw/zinc/76/64/85/938766485.db2.gz	XNCGOHCUQAHJNO-GJZGRUSLSA-N	1	0	357.458	1.097	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2CCC)[nH]1	ZINC001130240469	938768462	/nfs/dbraw/zinc/76/84/62/938768462.db2.gz	QDUSETHLXWDKHC-QXSJWSMHSA-N	1	0	359.474	1.343	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC3CCC2CC3)n1	ZINC001130251098	938774224	/nfs/dbraw/zinc/77/42/24/938774224.db2.gz	BABPGUQOLSYWTP-YOTSKQKMSA-N	1	0	371.485	1.343	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC3CCC2CC3)n1	ZINC001130251099	938774285	/nfs/dbraw/zinc/77/42/85/938774285.db2.gz	BABPGUQOLSYWTP-ZKLCHKPXSA-N	1	0	371.485	1.343	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)/C=C/c2ccco2)CC1	ZINC001130271644	938785404	/nfs/dbraw/zinc/78/54/04/938785404.db2.gz	LIONUBXDGCXCRU-GLCUETTDSA-N	1	0	369.465	1.792	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCOC(C)C)CC1	ZINC001130274578	938786724	/nfs/dbraw/zinc/78/67/24/938786724.db2.gz	UVGCUFODZYOYDD-XLIONFOSSA-N	1	0	363.502	1.300	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCOC(C)C)CC1	ZINC001130274493	938786734	/nfs/dbraw/zinc/78/67/34/938786734.db2.gz	QZWCQIUPBGZWOA-XLIONFOSSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@H](C)OC)CC1	ZINC001130276576	938787503	/nfs/dbraw/zinc/78/75/03/938787503.db2.gz	GLPFYNJZEAREJD-GMBSWORKSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC001130276566	938787558	/nfs/dbraw/zinc/78/75/58/938787558.db2.gz	FPJNARFKRNZWBR-VPWXQRGCSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[C@H](C)OC)CC1	ZINC001130285730	938790368	/nfs/dbraw/zinc/79/03/68/938790368.db2.gz	NOBURIKBHZKHJI-VPWXQRGCSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2cccnc2)CC1	ZINC001130292995	938796409	/nfs/dbraw/zinc/79/64/09/938796409.db2.gz	HAAGTFAXSXRABA-NQIIRXRSSA-N	1	0	370.497	1.676	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)C(F)(F)F)CC1	ZINC001130295475	938797807	/nfs/dbraw/zinc/79/78/07/938797807.db2.gz	CYQJWCWYUYALJL-LNSITVRQSA-N	1	0	359.392	1.293	20	30		FDEDRO
C=CCOCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2C[C@@H]2C)CC1	ZINC001130295702	938798008	/nfs/dbraw/zinc/79/80/08/938798008.db2.gz	OJEZATFRGSRRLL-RMRDIRSESA-N	1	0	363.502	1.320	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2ccc(C)o2)CC1	ZINC001130307699	938805413	/nfs/dbraw/zinc/80/54/13/938805413.db2.gz	ZLFSNEUJWQPOSI-NQIIRXRSSA-N	1	0	371.481	1.629	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccncc1	ZINC000805810208	938830568	/nfs/dbraw/zinc/83/05/68/938830568.db2.gz	FZNUEKYXNCKYBG-SOLBZPMBSA-N	1	0	374.485	1.431	20	30		FDEDRO
CC/C=C\CC[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@H]1c1cn(C)cn1	ZINC001130502242	938885136	/nfs/dbraw/zinc/88/51/36/938885136.db2.gz	CYMUVFAQUHHUFO-XHRFTGCISA-N	1	0	361.515	1.917	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1c1cn(C)cn1	ZINC001130509641	938888475	/nfs/dbraw/zinc/88/84/75/938888475.db2.gz	KJZZYQIYDBEXLQ-XYJFISCASA-N	1	0	371.489	1.341	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130525175	938891542	/nfs/dbraw/zinc/89/15/42/938891542.db2.gz	ZCLSEJIGUPHXRI-VDZJLULYSA-N	1	0	370.501	1.635	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCCOC)C1	ZINC001130574235	939874823	/nfs/dbraw/zinc/87/48/23/939874823.db2.gz	OTPBCAFHPKGVAR-WDYCEAGBSA-N	1	0	364.490	1.058	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2[nH]ccc2C)C[C@H]1c1cn(C)cn1	ZINC001130576639	939879851	/nfs/dbraw/zinc/87/98/51/939879851.db2.gz	XROLWSLVULVWRX-DOTOQJQBSA-N	1	0	357.458	1.457	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC[C@H]2CCCO2)C1	ZINC001130583810	939884313	/nfs/dbraw/zinc/88/43/13/939884313.db2.gz	SDPCIBMKKHJOMV-ZIFCJYIRSA-N	1	0	358.486	1.533	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC2CCCC2)C1	ZINC001130587043	939887460	/nfs/dbraw/zinc/88/74/60/939887460.db2.gz	DEQQGZWTJMVALI-PKOBYXMFSA-N	1	0	358.486	1.534	20	30		FDEDRO
CC(C)OCCC[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1cn(C)cn1	ZINC001130587082	939887532	/nfs/dbraw/zinc/88/75/32/939887532.db2.gz	FRSISDWZSHPSIL-PKOBYXMFSA-N	1	0	358.486	1.533	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnoc2C)C1	ZINC001130578580	939891240	/nfs/dbraw/zinc/89/12/40/939891240.db2.gz	UOIFYGZIRGXQHC-FUHWJXTLSA-N	1	0	355.442	1.604	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnc(C)o2)C1	ZINC001130581037	939893608	/nfs/dbraw/zinc/89/36/08/939893608.db2.gz	XDXCYFVPZKPGSW-FUHWJXTLSA-N	1	0	355.442	1.604	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@H]2CCCCO2)C1	ZINC001130590466	939897249	/nfs/dbraw/zinc/89/72/49/939897249.db2.gz	RBJOYRBTCFQOLY-ZIFCJYIRSA-N	1	0	358.486	1.533	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc(N(C)C)cn2)C[C@H]1c1cn(C)cn1	ZINC001130590504	939897714	/nfs/dbraw/zinc/89/77/14/939897714.db2.gz	SUSJNOODLLEZMP-WMLDXEAASA-N	1	0	369.473	1.050	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC2CC(C)C2)C1	ZINC001130593088	939900087	/nfs/dbraw/zinc/90/00/87/939900087.db2.gz	OVVQNAGGSMUZGT-BXNZUYAZSA-N	1	0	358.486	1.390	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(CC)CC)C1	ZINC001130593336	939900365	/nfs/dbraw/zinc/90/03/65/939900365.db2.gz	WNUMCABYMMRYRB-PKOBYXMFSA-N	1	0	360.502	1.780	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2cnccc2C)C[C@H]1c1cn(C)cn1	ZINC001130610657	939908045	/nfs/dbraw/zinc/90/80/45/939908045.db2.gz	PMUYJADYCREOOG-PKOBYXMFSA-N	1	0	351.454	1.274	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC#CCOC)C2)CCC1	ZINC001130610890	939908195	/nfs/dbraw/zinc/90/81/95/939908195.db2.gz	UXPARODZMIITFI-PKOBYXMFSA-N	1	0	368.481	1.148	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2nc(CC)c[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130610871	939908320	/nfs/dbraw/zinc/90/83/20/939908320.db2.gz	UQEQKXLRWRNSDU-FUHWJXTLSA-N	1	0	370.501	1.799	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccnn2C(F)F)C[C@H]1c1cn(C)cn1	ZINC001130602885	939914483	/nfs/dbraw/zinc/91/44/83/939914483.db2.gz	SHGWPVKQRBTASU-GXTWGEPZSA-N	1	0	362.384	1.233	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOC)C1)OCC	ZINC001130602913	939914927	/nfs/dbraw/zinc/91/49/27/939914927.db2.gz	UPLYJKPPNPSNAW-JQHSSLGASA-N	1	0	364.490	1.322	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2nc(C)sc2C)C[C@H]1c1cn(C)cn1	ZINC001130615465	939915720	/nfs/dbraw/zinc/91/57/20/939915720.db2.gz	RFMJYCPRJQCTDR-GOEBONIOSA-N	1	0	357.483	1.715	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(F)ccc2F)C[C@H]1c1cn(C)cn1	ZINC001130607910	939919732	/nfs/dbraw/zinc/91/97/32/939919732.db2.gz	QWLVPGIGBINACE-MAUKXSAKSA-N	1	0	358.392	1.919	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCn3nccc32)C[C@H]1c1cn(C)cn1	ZINC001130619092	939929766	/nfs/dbraw/zinc/92/97/66/939929766.db2.gz	AFHFPEKMQKDDAR-SOLBZPMBSA-N	1	0	366.469	1.102	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)nnc2CC)C[C@H]1c1cn(C)cn1	ZINC001130619123	939929785	/nfs/dbraw/zinc/92/97/85/939929785.db2.gz	CIODJEUAULZBEV-QFBILLFUSA-N	1	0	366.469	1.302	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCn3nccc32)C[C@H]1c1cn(C)cn1	ZINC001130619093	939929826	/nfs/dbraw/zinc/92/98/26/939929826.db2.gz	AFHFPEKMQKDDAR-XYJFISCASA-N	1	0	366.469	1.102	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2cn(CC)nn2)C[C@H]1c1cn(C)cn1	ZINC001130630737	939935023	/nfs/dbraw/zinc/93/50/23/939935023.db2.gz	UBHAYMDBAGJPTG-FUHWJXTLSA-N	1	0	371.489	1.124	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)NC(=O)C(C)(C)C)C[C@H]1c1cn(C)cn1	ZINC001130637630	939939476	/nfs/dbraw/zinc/93/94/76/939939476.db2.gz	CWQCDOKHDWRFNR-OFQRWUPVSA-N	1	0	361.490	1.041	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@H]1c1cn(C)cn1	ZINC001130651897	939946154	/nfs/dbraw/zinc/94/61/54/939946154.db2.gz	ARWVYBXGULTXPP-LESCRADOSA-N	1	0	350.438	1.399	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3nn[nH]c32)C[C@H]1c1cn(C)cn1	ZINC001130654431	939948190	/nfs/dbraw/zinc/94/81/90/939948190.db2.gz	JHSCUVKMJRBHMY-GRDNDAEWSA-N	1	0	369.473	1.118	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCCCC)C1	ZINC001111678444	939949078	/nfs/dbraw/zinc/94/90/78/939949078.db2.gz	FCPUFFQTXCDUMT-GJYPPUQNSA-N	1	0	351.491	1.465	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2cccc(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130656159	939960372	/nfs/dbraw/zinc/96/03/72/939960372.db2.gz	BRSRBEHPBJYIKV-AZUAARDMSA-N	1	0	350.466	1.879	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2CCC(OC)CC2)C[C@H]1c1cn(C)cn1	ZINC001130656330	939960718	/nfs/dbraw/zinc/96/07/18/939960718.db2.gz	FKRKHUJQYNOZCX-BXNZUYAZSA-N	1	0	358.486	1.533	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1c1cn(C)cn1	ZINC001130680447	939968724	/nfs/dbraw/zinc/96/87/24/939968724.db2.gz	QUWLTYVYCNVVLF-VYDRJQSISA-N	1	0	374.485	1.074	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cc2C)C[C@H]1c1cn(C)cn1	ZINC001130672294	939971215	/nfs/dbraw/zinc/97/12/15/939971215.db2.gz	LOMBUWZHSYWEHY-FUHWJXTLSA-N	1	0	369.469	1.993	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCCC=C)C2)c1	ZINC001130672362	939971527	/nfs/dbraw/zinc/97/15/27/939971527.db2.gz	OLHOXCKHOKAUJI-AZUAARDMSA-N	1	0	363.465	1.960	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C2(CF)CCOCC2)C[C@H]1c1cn(C)cn1	ZINC001130672327	939971533	/nfs/dbraw/zinc/97/15/33/939971533.db2.gz	MZGGOZIHFLZDCQ-DOTOQJQBSA-N	1	0	364.465	1.647	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1c1cn(C)cn1	ZINC001130677628	939974221	/nfs/dbraw/zinc/97/42/21/939974221.db2.gz	BAMWTCNLRZHQBN-MUQADHOPSA-N	1	0	373.501	1.172	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnc(C)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130692506	939981383	/nfs/dbraw/zinc/98/13/83/939981383.db2.gz	NOBUBKANJIYRGS-FUHWJXTLSA-N	1	0	352.442	1.048	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn(CC)c2C)C[C@H]1c1cn(C)cn1	ZINC001130698879	939992741	/nfs/dbraw/zinc/99/27/41/939992741.db2.gz	VYBUUEFVJGIIDK-FUHWJXTLSA-N	1	0	354.458	1.166	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2cnn(CC)c2)C[C@H]1c1cn(C)cn1	ZINC001130709940	939998077	/nfs/dbraw/zinc/99/80/77/939998077.db2.gz	JIBMXOINIPVIGS-PKOBYXMFSA-N	1	0	370.501	1.729	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCOCCOCC)C[C@H]1c1cn(C)cn1	ZINC001130712649	939998950	/nfs/dbraw/zinc/99/89/50/939998950.db2.gz	FPVHWUNSTQSNRB-FUHWJXTLSA-N	1	0	364.490	1.323	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cn(CC)cn2)C[C@H]1c1cn(C)cn1	ZINC001130712576	939999033	/nfs/dbraw/zinc/99/90/33/939999033.db2.gz	BOKNPHBHGLKUMG-DOTOQJQBSA-N	1	0	356.474	1.801	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](NC(C)=O)C(C)C)C[C@H]1c1cn(C)cn1	ZINC001130717316	940001136	/nfs/dbraw/zinc/00/11/36/940001136.db2.gz	GVEQQXWJFFHLQU-CGTJXYLNSA-N	1	0	361.490	1.041	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@H]1c1cn(C)cn1	ZINC001130714910	940007108	/nfs/dbraw/zinc/00/71/08/940007108.db2.gz	PEIZHCIDVYGQDU-FUHWJXTLSA-N	1	0	369.469	1.283	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnn3cc[nH]c23)C[C@H]1c1cn(C)cn1	ZINC001130719316	940022382	/nfs/dbraw/zinc/02/23/82/940022382.db2.gz	JGSJJFWTUDOSSQ-DOTOQJQBSA-N	1	0	367.457	1.560	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(COC)cc2)C[C@H]1c1cn(C)cn1	ZINC001130723225	940027960	/nfs/dbraw/zinc/02/79/60/940027960.db2.gz	FURZXSXWPNSHLP-AZUAARDMSA-N	1	0	366.465	1.788	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2c(C)noc2C)C[C@H]1c1cn(C)cn1	ZINC001130723200	940028048	/nfs/dbraw/zinc/02/80/48/940028048.db2.gz	FEQXXGMEQGKTGB-FUHWJXTLSA-N	1	0	355.442	1.175	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccccn2)C1	ZINC001130739595	940041128	/nfs/dbraw/zinc/04/11/28/940041128.db2.gz	GUWKCHRRKSOPTB-PKOBYXMFSA-N	1	0	369.469	1.492	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCCOCC)C[C@H]1c1cn(C)cn1	ZINC001130731755	940045123	/nfs/dbraw/zinc/04/51/23/940045123.db2.gz	OFNIWGLAHYLRCJ-SOLBZPMBSA-N	1	0	364.490	1.322	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC23CCOCC3)C[C@H]1c1cn(C)cn1	ZINC001130745160	940049020	/nfs/dbraw/zinc/04/90/20/940049020.db2.gz	SIBSITLNOZBTCU-XYJFISCASA-N	1	0	358.486	1.697	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3n(c2)CCCC3)C[C@H]1c1cn(C)cn1	ZINC001130747513	940053522	/nfs/dbraw/zinc/05/35/22/940053522.db2.gz	XXXVPVATAUDOCK-AZUAARDMSA-N	1	0	365.481	1.779	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccncc3)n2)O1	ZINC001130749817	940057227	/nfs/dbraw/zinc/05/72/27/940057227.db2.gz	RTHPVMZFAZWTRF-LSDHHAIUSA-N	1	0	356.430	1.516	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccsc3)n2)O1	ZINC001130756321	940077528	/nfs/dbraw/zinc/07/75/28/940077528.db2.gz	ALVNTACWURQYFL-UONOGXRCSA-N	1	0	359.455	1.629	20	30		FDEDRO
CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CSCC#N)n2)O1	ZINC001130758117	940083734	/nfs/dbraw/zinc/08/37/34/940083734.db2.gz	RIBGVWYVDBPKPV-QWHCGFSZSA-N	1	0	366.491	1.287	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cncs3)n2)O1	ZINC001130759672	940086299	/nfs/dbraw/zinc/08/62/99/940086299.db2.gz	FCVQNHWFLJEICF-NWDGAFQWSA-N	1	0	362.459	1.577	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)OC)n2)O1	ZINC001130765214	940095146	/nfs/dbraw/zinc/09/51/46/940095146.db2.gz	HPJXPMJTGLDEEU-HZSPNIEDSA-N	1	0	351.451	1.232	20	30		FDEDRO
C=CCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+][C@H](C)COC)O2)n[nH]1	ZINC001130767562	940101682	/nfs/dbraw/zinc/10/16/82/940101682.db2.gz	LYVNURZKKJBDAT-HZSPNIEDSA-N	1	0	351.451	1.232	20	30		FDEDRO
C=CCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC[C@@H](C)F)O2)n[nH]1	ZINC001130767977	940102697	/nfs/dbraw/zinc/10/26/97/940102697.db2.gz	XFSGHOXCRDTYIN-HZSPNIEDSA-N	1	0	353.442	1.945	20	30		FDEDRO
C=CCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC[C@H](C)F)O2)n[nH]1	ZINC001130767978	940102997	/nfs/dbraw/zinc/10/29/97/940102997.db2.gz	XFSGHOXCRDTYIN-MELADBBJSA-N	1	0	353.442	1.945	20	30		FDEDRO
C=CCOCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC[C@H](C)F)O2)n[nH]1	ZINC001130769262	940105849	/nfs/dbraw/zinc/10/58/49/940105849.db2.gz	AEBSNGQQPNSWOT-MELADBBJSA-N	1	0	369.441	1.181	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cscn3)n2)O1	ZINC001130769642	940106987	/nfs/dbraw/zinc/10/69/87/940106987.db2.gz	MQSSDINYUPAEBU-WCQYABFASA-N	1	0	360.443	1.024	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H](C)OC)n2)O1	ZINC001130769590	940107020	/nfs/dbraw/zinc/10/70/20/940107020.db2.gz	KVVSRLRVZFVJTN-SOUVJXGZSA-N	1	0	365.478	1.622	20	30		FDEDRO
C=CC(C)(C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+][C@@H](C)COC)O2)n[nH]1	ZINC001130795873	940148786	/nfs/dbraw/zinc/14/87/86/940148786.db2.gz	BRDUKSGMZTTYIS-MELADBBJSA-N	1	0	365.478	1.478	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(F)CCCC3)n2)O1	ZINC001130790430	940165184	/nfs/dbraw/zinc/16/51/84/940165184.db2.gz	ZRVLUGHLMKIRLR-UONOGXRCSA-N	1	0	363.437	1.536	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3CCC(F)CC3)n2)O1	ZINC001130804335	940175433	/nfs/dbraw/zinc/17/54/33/940175433.db2.gz	DJKOXQHEQRCIKA-PFSRBDOWSA-N	1	0	363.437	1.392	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3OCC[C@H]3C)n2)O1	ZINC001130809370	940187426	/nfs/dbraw/zinc/18/74/26/940187426.db2.gz	UWEMJGAXCGRGJZ-CTASWTNQSA-N	1	0	363.462	1.232	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccccc3O)C2)C1=O	ZINC001086647465	940189571	/nfs/dbraw/zinc/18/95/71/940189571.db2.gz	OFAKPTKDVWBPCJ-ZMSDIMECSA-N	1	0	357.454	1.667	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](CCC)OC)n2)O1	ZINC001130799359	940191228	/nfs/dbraw/zinc/19/12/28/940191228.db2.gz	DARAAKQGJSYCFX-ZNMIVQPWSA-N	1	0	363.462	1.069	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H]3CC=CCC3)n2)O1	ZINC001130799613	940193017	/nfs/dbraw/zinc/19/30/17/940193017.db2.gz	ONGNIPBCPFCFDV-OWCLPIDISA-N	1	0	357.458	1.610	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](F)CC)n2)O1	ZINC001130799772	940193964	/nfs/dbraw/zinc/19/39/64/940193964.db2.gz	XDTKPBFJRPWQDU-MELADBBJSA-N	1	0	353.442	1.945	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3conc3C)n2)O1	ZINC001130802497	940197971	/nfs/dbraw/zinc/19/79/71/940197971.db2.gz	WTOSAGYGELXJQL-GXTWGEPZSA-N	1	0	360.418	1.417	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccnc(C)c3)n2)O1	ZINC001130811620	940204449	/nfs/dbraw/zinc/20/44/49/940204449.db2.gz	ACIPXKSFWZFXKA-JKSUJKDBSA-N	1	0	370.457	1.824	20	30		FDEDRO
CCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#Cc2ccccc2)C1	ZINC001130897589	940301112	/nfs/dbraw/zinc/30/11/12/940301112.db2.gz	HJCMFWQRMDISQG-RTBURBONSA-N	1	0	366.465	1.392	20	30		FDEDRO
C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1	ZINC000807335316	940324023	/nfs/dbraw/zinc/32/40/23/940324023.db2.gz	AZYRFGAPSFPXID-QGZVFWFLSA-N	1	0	373.416	1.957	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@H]2CCCCO2)C1	ZINC001130948346	940346564	/nfs/dbraw/zinc/34/65/64/940346564.db2.gz	HDQWQMZHXYXHEQ-BRWVUGGUSA-N	1	0	362.474	1.076	20	30		FDEDRO
C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000807452762	940363575	/nfs/dbraw/zinc/36/35/75/940363575.db2.gz	FEQNZJBTOMLTKJ-XJKSGUPXSA-N	1	0	374.416	1.752	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@@](C)(O)C2CC2)C[C@H]1c1cncn1C	ZINC001130959330	940364784	/nfs/dbraw/zinc/36/47/84/940364784.db2.gz	KMBIMPUROSBEIP-MBOZVWFJSA-N	1	0	360.502	1.821	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2cncnc2)C[C@H]1c1cncn1C	ZINC001130973218	940384155	/nfs/dbraw/zinc/38/41/55/940384155.db2.gz	VKYLMGQIGONTLD-IAGOWNOFSA-N	1	0	354.458	1.303	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cccnc2)C1	ZINC001130982813	940397828	/nfs/dbraw/zinc/39/78/28/940397828.db2.gz	HZJHEHBFWXTNCJ-HLIPFELVSA-N	1	0	369.469	1.226	20	30		FDEDRO
CCc1[nH]ccc1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CCOC)C1	ZINC001130977949	940409007	/nfs/dbraw/zinc/40/90/07/940409007.db2.gz	JIJGAFOXHAASAN-SJLPKXTDSA-N	1	0	369.469	1.158	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3cn[nH]c32)C[C@H]1c1cncn1C	ZINC001130994055	940416078	/nfs/dbraw/zinc/41/60/78/940416078.db2.gz	CKGLEZJKKQTERF-GVDBMIGSSA-N	1	0	368.485	1.723	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3n[nH]cc32)C[C@H]1c1cncn1C	ZINC001130994249	940416527	/nfs/dbraw/zinc/41/65/27/940416527.db2.gz	PZMQSYXSUXOIPQ-QGPMSJSTSA-N	1	0	366.469	1.171	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3n[nH]cc32)C[C@H]1c1cncn1C	ZINC001130994250	940416540	/nfs/dbraw/zinc/41/65/40/940416540.db2.gz	PZMQSYXSUXOIPQ-YXJHDRRASA-N	1	0	366.469	1.171	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)C(C)C)C[C@H]1c1cncn1C	ZINC001131001812	940428607	/nfs/dbraw/zinc/42/86/07/940428607.db2.gz	PKRLWFRYEASBDY-IAGOWNOFSA-N	1	0	360.502	1.636	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)nn2C)C[C@H]1c1cncn1C	ZINC001131006118	940432677	/nfs/dbraw/zinc/43/26/77/940432677.db2.gz	MBDUQLNKWMXGFA-NVXWUHKLSA-N	1	0	366.469	1.252	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3occc3[nH]2)C[C@H]1c1cncn1C	ZINC001131006144	940432691	/nfs/dbraw/zinc/43/26/91/940432691.db2.gz	NDRMRHTZMSPAEN-CZUORRHYSA-N	1	0	351.410	1.716	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCF)C1	ZINC001131008186	940434700	/nfs/dbraw/zinc/43/47/00/940434700.db2.gz	WDEMXYCINJAFPU-HZPDHXFCSA-N	1	0	359.449	1.965	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C)n(C)n3)C2)C1=O	ZINC001086653653	940440976	/nfs/dbraw/zinc/44/09/76/940440976.db2.gz	FEVCBFAZGJFZAG-XHSDSOJGSA-N	1	0	359.474	1.004	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccccc2COC)C[C@H]1c1cncn1C	ZINC001131022800	940456144	/nfs/dbraw/zinc/45/61/44/940456144.db2.gz	HLCIYAZJZIGUAU-RTBURBONSA-N	1	0	366.465	1.788	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2ccncc2)C[C@H]1c1cncn1C	ZINC001131022908	940456457	/nfs/dbraw/zinc/45/64/57/940456457.db2.gz	KDZSUCWYVZWUQZ-QZTJIDSGSA-N	1	0	353.470	1.908	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC=CCC2)C[C@H]1c1cncn1C	ZINC001131041778	940471289	/nfs/dbraw/zinc/47/12/89/940471289.db2.gz	DHBSHETWKGDTOQ-IPMKNSEASA-N	1	0	370.497	1.700	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](CCC)OC)C[C@H]1c1cncn1C	ZINC001131042917	940471843	/nfs/dbraw/zinc/47/18/43/940471843.db2.gz	YMUJKNBERGARJW-NUJGCVRESA-N	1	0	364.490	1.322	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C/C=C(/C)C=C)C[C@H]1c1cncn1C	ZINC001131046340	940475405	/nfs/dbraw/zinc/47/54/05/940475405.db2.gz	MHWFLLZSZCSLFA-CTOSAQQISA-N	1	0	371.485	1.129	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CCC)c2ccccn2)C[C@H]1c1cncn1C	ZINC001131055617	940481465	/nfs/dbraw/zinc/48/14/65/940481465.db2.gz	FCIGBZOUCQEEOG-YQVWRLOYSA-N	1	0	365.481	1.916	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCC(=C)C)C2)c1	ZINC001131068108	940483188	/nfs/dbraw/zinc/48/31/88/940483188.db2.gz	MHDCKGMPGORRCU-RTBURBONSA-N	1	0	363.465	1.960	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCn2cccn2)C1	ZINC001131064560	940486416	/nfs/dbraw/zinc/48/64/16/940486416.db2.gz	LRUCZMCCRGVXAX-IAGOWNOFSA-N	1	0	356.474	1.557	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccn(C)c2C)C[C@H]1c1cncn1C	ZINC001131064562	940486496	/nfs/dbraw/zinc/48/64/96/940486496.db2.gz	LUMQMJUONLAOKG-QZTJIDSGSA-N	1	0	371.485	1.467	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCCCC)C2)nn1	ZINC001131084518	940489407	/nfs/dbraw/zinc/48/94/07/940489407.db2.gz	XBEXRZJGXFJZAN-HZPDHXFCSA-N	1	0	371.489	1.586	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(F)c(OC)c2)C[C@H]1c1cncn1C	ZINC001131076588	940491376	/nfs/dbraw/zinc/49/13/76/940491376.db2.gz	RMMSKRRNXZDQPY-NVXWUHKLSA-N	1	0	370.428	1.789	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)[nH]c2=O)C[C@H]1c1cncn1C	ZINC001131079249	940492256	/nfs/dbraw/zinc/49/22/56/940492256.db2.gz	HRENLDKIGVSZKS-HZPDHXFCSA-N	1	0	355.442	1.603	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cc(C)[nH]c2C)C[C@H]1c1cncn1C	ZINC001131079746	940492397	/nfs/dbraw/zinc/49/23/97/940492397.db2.gz	RSKRIMFWJSYSNM-QZTJIDSGSA-N	1	0	371.485	1.765	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnc(C)nc2C)C[C@H]1c1cncn1C	ZINC001131089411	940494528	/nfs/dbraw/zinc/49/45/28/940494528.db2.gz	FUWTVFNDMLWNHL-IAGOWNOFSA-N	1	0	352.442	1.048	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cccnc2)C[C@H]1c1cncn1C	ZINC001131113409	940499389	/nfs/dbraw/zinc/49/93/89/940499389.db2.gz	ZIZJIPINEVISQH-KBAYOESNSA-N	1	0	351.454	1.526	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c3cccnc32)C[C@H]1c1cncn1C	ZINC001131106270	940501937	/nfs/dbraw/zinc/50/19/37/940501937.db2.gz	RXCFHFDNGFLHSG-NVXWUHKLSA-N	1	0	362.437	1.518	20	30		FDEDRO
C[NH+](C)CCN1c2ccccc2C(=NNC2=N[C@@H]3CCCC[C@H]3N2)C1=O	ZINC000807979077	940504095	/nfs/dbraw/zinc/50/40/95/940504095.db2.gz	MCSFQLBFLMPJJM-HUUCEWRRSA-N	1	0	354.458	1.159	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2ccccc2)C[C@H]1c1cncn1C	ZINC001131115176	940508755	/nfs/dbraw/zinc/50/87/55/940508755.db2.gz	BKXMNBDQCXHDNR-RTBURBONSA-N	1	0	350.466	1.960	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2cscn2)C[C@H]1c1cncn1C	ZINC001131130583	940511297	/nfs/dbraw/zinc/51/12/97/940511297.db2.gz	UJTDSNKXVUTAOY-HZPDHXFCSA-N	1	0	357.483	1.417	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2nn(CC)nc2C)C[C@H]1c1cncn1C	ZINC001131136516	940513643	/nfs/dbraw/zinc/51/36/43/940513643.db2.gz	QTCFJFFNLQLJLX-HUUCEWRRSA-N	1	0	357.462	1.114	20	30		FDEDRO
C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@@H+]([C@@H]1CC[C@@H](C(=O)OC)C1)C2	ZINC001170542687	940515001	/nfs/dbraw/zinc/51/50/01/940515001.db2.gz	KRVDXYPWCQHILX-MBOZVWFJSA-N	1	0	363.502	1.511	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)/C=C/c3ccccc3C#N)CC2)C1=O	ZINC000808139296	940521580	/nfs/dbraw/zinc/52/15/80/940521580.db2.gz	CLGPZYIGBFMXCX-DKFQHHCZSA-N	1	0	352.438	1.383	20	30		FDEDRO
C=CCOc1ccc(/C=C/C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)cc1OC	ZINC000808156552	940523232	/nfs/dbraw/zinc/52/32/32/940523232.db2.gz	LEIFXKIEGRWNCF-KEEVIKFDSA-N	1	0	372.465	1.941	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@]12CCOc1ccccc12	ZINC001131241040	940540367	/nfs/dbraw/zinc/54/03/67/940540367.db2.gz	VJFMFIBKYGGDOF-IIMJZQEZSA-N	1	0	357.454	1.123	20	30		FDEDRO
C[N@@H+]1CCCN(c2ccc(-c3noc([C@@H](N)CCCC#N)n3)cn2)CC1	ZINC000822951636	945329715	/nfs/dbraw/zinc/32/97/15/945329715.db2.gz	WHMJGTAWUJFMNV-HNNXBMFYSA-N	1	0	355.446	1.967	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cnccn2)C1	ZINC001131297847	940544803	/nfs/dbraw/zinc/54/48/03/940544803.db2.gz	MPUPOOVQYPPGPR-OIISXLGYSA-N	1	0	371.441	1.162	20	30		FDEDRO
CCCCCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)COC)C1	ZINC001131294952	940546444	/nfs/dbraw/zinc/54/64/44/940546444.db2.gz	WJCNALWXVIYVCR-BBWFWOEESA-N	1	0	367.490	1.709	20	30		FDEDRO
C=CCCCCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@]23C[C@H]2COC3)CC1	ZINC001131360477	940558567	/nfs/dbraw/zinc/55/85/67/940558567.db2.gz	WBHNAWSRKXWJHG-PXNSSMCTSA-N	1	0	363.502	1.420	20	30		FDEDRO
CC(C)(C)n1ncnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1	ZINC001086668620	940563651	/nfs/dbraw/zinc/56/36/51/940563651.db2.gz	UYOFSHYZPKERJL-DZGCQCFKSA-N	1	0	369.473	1.921	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccccn2)CC1	ZINC001131408278	940565363	/nfs/dbraw/zinc/56/53/63/940565363.db2.gz	CCOJAXHGSWXZBF-MJGOQNOKSA-N	1	0	357.454	1.331	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(C)on2)CC1	ZINC001131416907	940567660	/nfs/dbraw/zinc/56/76/60/940567660.db2.gz	QNRNBKKXPHEIDN-AEFFLSMTSA-N	1	0	363.458	1.785	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCSC)CC1	ZINC001131418930	940567974	/nfs/dbraw/zinc/56/79/74/940567974.db2.gz	GZUWUSFHBCERQH-AEFFLSMTSA-N	1	0	354.516	1.375	20	30		FDEDRO
CC[C@H](OC)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC#CCOC)CC1	ZINC001131442247	940591283	/nfs/dbraw/zinc/59/12/83/940591283.db2.gz	MQQBFPRBSYIIHQ-SQNIBIBYSA-N	1	0	352.475	1.047	20	30		FDEDRO
C=CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](CCCC)C(N)=O)CC1	ZINC001131448942	940602955	/nfs/dbraw/zinc/60/29/55/940602955.db2.gz	YBNOMZJWVYVFDV-AOIWGVFYSA-N	1	0	365.518	1.982	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnccc2C)CC1	ZINC001131461108	940615626	/nfs/dbraw/zinc/61/56/26/940615626.db2.gz	DPOOWVKZCBVNAD-UXHICEINSA-N	1	0	371.481	1.639	20	30		FDEDRO
C#CCCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(=O)NC)CC1	ZINC001131476100	940618825	/nfs/dbraw/zinc/61/88/25/940618825.db2.gz	RCZMTYKDLQQXLO-WDYCEAGBSA-N	1	0	363.502	1.300	20	30		FDEDRO
C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCC[C@@H](C)O)CC1	ZINC001131461898	940620367	/nfs/dbraw/zinc/62/03/67/940620367.db2.gz	WBLCLHNMRMFDKU-SUMDDJOVSA-N	1	0	354.491	1.336	20	30		FDEDRO
C#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2ccn(C)n2)CC1	ZINC001131482912	940638303	/nfs/dbraw/zinc/63/83/03/940638303.db2.gz	FHRCLHVIYOUFMT-QUCCMNQESA-N	1	0	358.486	1.709	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H](C)NC(N)=O)CC1	ZINC001131496400	940647955	/nfs/dbraw/zinc/64/79/55/940647955.db2.gz	YXIKFJBRGYDYPF-LESCRADOSA-N	1	0	366.506	1.385	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(=O)NC)CC1	ZINC001131506641	940668718	/nfs/dbraw/zinc/66/87/18/940668718.db2.gz	IRNIIPQXVDVFAB-KYJSFNMBSA-N	1	0	365.518	1.709	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccnn2CCC)CC1	ZINC001131506731	940669225	/nfs/dbraw/zinc/66/92/25/940669225.db2.gz	MVMLGDQAJWZWTG-MJGOQNOKSA-N	1	0	358.486	1.916	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2ccn(C)n2)CC1	ZINC001131506876	940669639	/nfs/dbraw/zinc/66/96/39/940669639.db2.gz	UJBPKTVFNSZGEL-QUCCMNQESA-N	1	0	358.486	1.362	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCC(=O)N2)CC1	ZINC001131517031	940683658	/nfs/dbraw/zinc/68/36/58/940683658.db2.gz	GTWBZMADVLLKDF-LMMKCTJWSA-N	1	0	363.502	1.607	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccnc(OC)n2)CC1	ZINC001131528248	940698096	/nfs/dbraw/zinc/69/80/96/940698096.db2.gz	NIBCYWLKJJWLQM-WBVHZDCISA-N	1	0	358.442	1.108	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnc(Cl)n2C)CC1	ZINC001131528587	940698799	/nfs/dbraw/zinc/69/87/99/940698799.db2.gz	ZXUCQGKYFNYQKD-ZBFHGGJFSA-N	1	0	364.877	1.696	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccc3nccn32)CC1	ZINC001131528566	940698862	/nfs/dbraw/zinc/69/88/62/940698862.db2.gz	ZBRAIBXVXSKVGN-XLIONFOSSA-N	1	0	366.465	1.957	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)CC(N)=O)CC1	ZINC001131541413	940715797	/nfs/dbraw/zinc/71/57/97/940715797.db2.gz	NHOAZGUVRKCWJP-KYJSFNMBSA-N	1	0	351.491	1.450	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccnc2OC)CC1	ZINC001131555415	940730418	/nfs/dbraw/zinc/73/04/18/940730418.db2.gz	FBQLRWNIMBKNCG-MSOLQXFVSA-N	1	0	357.454	1.713	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc3nonc3c2)CC1	ZINC001131555731	940731177	/nfs/dbraw/zinc/73/11/77/940731177.db2.gz	UJPKFMVDAVVSGA-MJGOQNOKSA-N	1	0	368.437	1.845	20	30		FDEDRO
C=CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(=O)N(C)C)CC1	ZINC001131558162	940732753	/nfs/dbraw/zinc/73/27/53/940732753.db2.gz	KMZBQSFADNZBNX-SUMDDJOVSA-N	1	0	365.518	1.805	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCc3nc[nH]c32)CC1	ZINC001131562450	940735934	/nfs/dbraw/zinc/73/59/34/940735934.db2.gz	TVTUQPDLVWDWLP-HQRMLTQVSA-N	1	0	370.497	1.839	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2cccnc2C)CC1	ZINC001131562550	940736303	/nfs/dbraw/zinc/73/63/03/940736303.db2.gz	YNFIEPCUNJGDEB-CTNGQTDRSA-N	1	0	355.482	1.942	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCc3nc[nH]c32)CC1	ZINC001131562542	940736372	/nfs/dbraw/zinc/73/63/72/940736372.db2.gz	YASLVMQDZYAZNI-POAQFYNOSA-N	1	0	370.497	1.839	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cncc(OC)n2)CC1	ZINC001131574468	940751275	/nfs/dbraw/zinc/75/12/75/940751275.db2.gz	AXNCGVINAFGCDG-QAPCUYQASA-N	1	0	358.442	1.108	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCc3nc[nH]c3C2)CC1	ZINC001131590628	940760320	/nfs/dbraw/zinc/76/03/20/940760320.db2.gz	LSYVKLBWFJEYPE-POAQFYNOSA-N	1	0	370.497	1.524	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC(=O)NCC2CC2)CC1	ZINC001131592924	940763972	/nfs/dbraw/zinc/76/39/72/940763972.db2.gz	COQAIJDZDLPUQX-XLIONFOSSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC(=O)NCC2CC2)CC1	ZINC001131593021	940764489	/nfs/dbraw/zinc/76/44/89/940764489.db2.gz	IKTHRSFONYBHAB-XLIONFOSSA-N	1	0	363.502	1.465	20	30		FDEDRO
CC[NH+](CC)[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2NCC#N)CC1)C(C)C	ZINC001131580070	940766445	/nfs/dbraw/zinc/76/64/45/940766445.db2.gz	IFFXWIAGIPZAKW-QRVBRYPASA-N	1	0	364.534	1.862	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn(CCC)nn2)CC1	ZINC001131585062	940770889	/nfs/dbraw/zinc/77/08/89/940770889.db2.gz	LUEDVIDHZGVWNH-AEFFLSMTSA-N	1	0	361.490	1.864	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1	ZINC001131597574	940781821	/nfs/dbraw/zinc/78/18/21/940781821.db2.gz	MEHBAFFBERGTFX-JCGIZDLHSA-N	1	0	358.486	1.253	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCC(=O)N(C)C)CC1	ZINC001131599997	940783643	/nfs/dbraw/zinc/78/36/43/940783643.db2.gz	RSZLFJHLVCEJRG-XLIONFOSSA-N	1	0	365.518	1.807	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C2CCC3(CC2)OCCO3)nc1	ZINC000809203911	940784403	/nfs/dbraw/zinc/78/44/03/940784403.db2.gz	KIDLXDRFHUNIQG-UHFFFAOYSA-N	1	0	351.428	1.002	20	30		FDEDRO
C#Cc1ccc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000809618491	940868381	/nfs/dbraw/zinc/86/83/81/940868381.db2.gz	KSUGZKYLTKDBJE-UHFFFAOYSA-N	1	0	359.407	1.644	20	30		FDEDRO
Cc1nc(C)n(CC[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1	ZINC001086676163	940932504	/nfs/dbraw/zinc/93/25/04/940932504.db2.gz	BAQIEGZRTFACHJ-LSDHHAIUSA-N	1	0	355.446	1.283	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1=O	ZINC001086676327	940933559	/nfs/dbraw/zinc/93/35/59/940933559.db2.gz	SSCAHYKWFHMXQF-VBQJREDUSA-N	1	0	355.442	1.161	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3COC(=O)N3)C2)ccc1F	ZINC001086686294	941072305	/nfs/dbraw/zinc/07/23/05/941072305.db2.gz	PCMBPGDHMOYCFR-BJJXKVORSA-N	1	0	360.389	1.180	20	30		FDEDRO
Cn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)nn1	ZINC001086687538	941076986	/nfs/dbraw/zinc/07/69/86/941076986.db2.gz	XHYPBADBJWRKNY-DZGCQCFKSA-N	1	0	356.405	1.514	20	30		FDEDRO
C=CCCC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1	ZINC001098479962	941125778	/nfs/dbraw/zinc/12/57/78/941125778.db2.gz	JASXEJSFKVCIJO-CVEARBPZSA-N	1	0	351.491	1.140	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C)nn3)C2)C1=O	ZINC001086694369	941127188	/nfs/dbraw/zinc/12/71/88/941127188.db2.gz	OQXZAFXHCKKTBD-UXLLHSPISA-N	1	0	357.458	1.060	20	30		FDEDRO
C#C[C@H](CCC)NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1	ZINC000812121782	941182940	/nfs/dbraw/zinc/18/29/40/941182940.db2.gz	CMZITYBMTALZEE-MRXNPFEDSA-N	1	0	350.507	1.714	20	30		FDEDRO
C#C[C@H](NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C(C)C	ZINC000812122354	941183141	/nfs/dbraw/zinc/18/31/41/941183141.db2.gz	IDUJTHWMTFUOEU-INIZCTEOSA-N	1	0	350.507	1.570	20	30		FDEDRO
C[C@@H]1CNC(NN=C2CCN(C(=O)OC(C)(C)C)C[C@@H]2[C@@H]2CCOC2)=[NH+]1	ZINC000812227460	941187292	/nfs/dbraw/zinc/18/72/92/941187292.db2.gz	CZACVHGIXLAYJR-MGPQQGTHSA-N	1	0	365.478	1.573	20	30		FDEDRO
C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC[C@@H](C(N)=O)C1	ZINC001133405962	941256823	/nfs/dbraw/zinc/25/68/23/941256823.db2.gz	ZFUNUJOHBXDICF-CVEARBPZSA-N	1	0	361.873	1.793	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(=O)NCCCN(C)c2ccccc2)CC1	ZINC000747816744	941271530	/nfs/dbraw/zinc/27/15/30/941271530.db2.gz	UDRRJTSWSVJKEL-UHFFFAOYSA-N	1	0	370.497	1.091	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)NCc2cccc(OC)c2)CC1	ZINC000747818645	941273141	/nfs/dbraw/zinc/27/31/41/941273141.db2.gz	XUDCNWSAPYNBEJ-OAHLLOKOSA-N	1	0	357.454	1.161	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)CC1	ZINC000747818369	941273439	/nfs/dbraw/zinc/27/34/39/941273439.db2.gz	NHQPVNWIFVAVBH-MAUKXSAKSA-N	1	0	369.465	1.476	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)N2c3ccccc3C[C@H]2C)CC1	ZINC000747823889	941279811	/nfs/dbraw/zinc/27/98/11/941279811.db2.gz	XEQZLXKDQITRJU-HZPDHXFCSA-N	1	0	353.466	1.814	20	30		FDEDRO
C#C[C@@H](NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(F)cc1	ZINC000812884692	941286474	/nfs/dbraw/zinc/28/64/74/941286474.db2.gz	XPGINNJISHREQD-DOTOQJQBSA-N	1	0	360.433	1.387	20	30		FDEDRO
C#C[C@@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(F)cc1	ZINC000812884968	941286701	/nfs/dbraw/zinc/28/67/01/941286701.db2.gz	GKGKIMVZZGEITP-GOSISDBHSA-N	1	0	374.460	1.742	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(N2CCCNC2=O)cc1	ZINC000812899684	941294328	/nfs/dbraw/zinc/29/43/28/941294328.db2.gz	UCPVSZMQPCYPQO-ZDUSSCGKSA-N	1	0	359.430	1.269	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC(=O)N(C)C2)C1	ZINC001086710619	941359631	/nfs/dbraw/zinc/35/96/31/941359631.db2.gz	GPVWIJGCLJGICX-YNEHKIRRSA-N	1	0	358.280	1.248	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCCNc2ccc(C#N)cn2)CC[N@@H+](C2CCC2)C1	ZINC000813579053	941409806	/nfs/dbraw/zinc/40/98/06/941409806.db2.gz	PZDYVKWILWNUFZ-HNNXBMFYSA-N	1	0	356.474	1.881	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc4n(n3)CCC4)C2)C1=O	ZINC001086712620	941415507	/nfs/dbraw/zinc/41/55/07/941415507.db2.gz	PYGAEKXLGCVKMV-ZMSDIMECSA-N	1	0	371.485	1.104	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccc(F)c(F)c1	ZINC001134049901	941538042	/nfs/dbraw/zinc/53/80/42/941538042.db2.gz	TWNLNNILEGOSEE-DOMZBBRYSA-N	1	0	353.369	1.200	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NCc1cccs1	ZINC001134061711	941540420	/nfs/dbraw/zinc/54/04/20/941540420.db2.gz	FKUASAVULSLSCZ-CFVMTHIKSA-N	1	0	351.472	1.050	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1cc(C)ccc1OC	ZINC001134062065	941540783	/nfs/dbraw/zinc/54/07/83/941540783.db2.gz	PSOMPYLASSEVPI-ZBFHGGJFSA-N	1	0	361.442	1.239	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nccc(C)n2)C1	ZINC001086720554	941624649	/nfs/dbraw/zinc/62/46/49/941624649.db2.gz	BWTZWEUQMZKQKF-KSZLIROESA-N	1	0	355.486	1.257	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2conc2CC)C1	ZINC001086720534	941624785	/nfs/dbraw/zinc/62/47/85/941624785.db2.gz	AHSVAKCHXMUOEM-WDYCEAGBSA-N	1	0	358.486	1.709	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3c(C)ncn3C)C2)C1=O	ZINC001086724619	941713987	/nfs/dbraw/zinc/71/39/87/941713987.db2.gz	JJNDRANFWFHLET-XHSDSOJGSA-N	1	0	359.474	1.004	20	30		FDEDRO
C#CCCCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O	ZINC001195302105	970835324	/nfs/dbraw/zinc/83/53/24/970835324.db2.gz	ZVSCYQSCMQLUNZ-GUDVDZBRSA-N	1	0	350.503	1.673	20	30		FDEDRO
C(#CC[NH+]1CCC2(CC1)OCCCO2)CN1CCC2(CC1)OCCCO2	ZINC000815155798	941787751	/nfs/dbraw/zinc/78/77/51/941787751.db2.gz	MPCGRXPKNVJKNA-UHFFFAOYSA-N	1	0	364.486	1.448	20	30		FDEDRO
CCNC(=O)[C@@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C(C)C	ZINC000815131909	941788979	/nfs/dbraw/zinc/78/89/79/941788979.db2.gz	POYYPEPIBNWXNS-KSSFIOAISA-N	1	0	365.437	1.974	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccc(F)cc2)C[C@H]1O	ZINC001195312260	970845315	/nfs/dbraw/zinc/84/53/15/970845315.db2.gz	KQPORBHHXQUWFI-BRWVUGGUSA-N	1	0	350.434	1.103	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)C1=O	ZINC001135045396	941875750	/nfs/dbraw/zinc/87/57/50/941875750.db2.gz	AZTXSCRHFSXVAV-BBWFWOEESA-N	1	0	361.873	1.936	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CCOCC(F)(F)C(F)F	ZINC001135064975	941881640	/nfs/dbraw/zinc/88/16/40/941881640.db2.gz	QDAGNGMFTKUDPE-STQMWFEESA-N	1	0	370.387	1.981	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)N1CCC(C)CC1	ZINC001135067569	941883198	/nfs/dbraw/zinc/88/31/98/941883198.db2.gz	AZKUUWNWFWAFIL-SQNIBIBYSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CCOC[C@H]1CCCCO1	ZINC001135067579	941883268	/nfs/dbraw/zinc/88/32/68/941883268.db2.gz	BUASFWHAYBPHDR-SQNIBIBYSA-N	1	0	354.491	1.649	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCc1ccc(C)s1	ZINC001135145346	941929179	/nfs/dbraw/zinc/92/91/79/941929179.db2.gz	FMBHGPXYKKLOQT-RDJZCZTQSA-N	1	0	365.499	1.360	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCN(c2ccccc2)C1=O	ZINC001135145736	941929665	/nfs/dbraw/zinc/92/96/65/941929665.db2.gz	RKQURBNNVLLFJO-KSZLIROESA-N	1	0	357.454	1.479	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2OCC[C@@H]2c2ccccc2)C1=O	ZINC001135135630	941932262	/nfs/dbraw/zinc/93/22/62/941932262.db2.gz	ZESBOPKAWQWDNS-KZNAEPCWSA-N	1	0	357.454	1.052	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc2cccnc2c(OC)c1	ZINC000815861773	941996819	/nfs/dbraw/zinc/99/68/19/941996819.db2.gz	YZTMYUPWSFYMAE-UHFFFAOYSA-N	1	0	354.410	1.253	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1	ZINC000815860886	941997573	/nfs/dbraw/zinc/99/75/73/941997573.db2.gz	FUHJTRMOFLPKLQ-UHFFFAOYSA-N	1	0	365.817	1.136	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cnn([C@H](C)CC)c1C1CC1	ZINC000815861134	941997650	/nfs/dbraw/zinc/99/76/50/941997650.db2.gz	RTECDRISRQDJJR-CQSZACIVSA-N	1	0	359.474	1.741	20	30		FDEDRO
CCN1CCOC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001086738464	942150717	/nfs/dbraw/zinc/15/07/17/942150717.db2.gz	BZAGSRBCYLGBNR-ZCNNSNEGSA-N	1	0	370.497	1.653	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCC(=O)NC3)C2)s1	ZINC001086741316	942185150	/nfs/dbraw/zinc/18/51/50/942185150.db2.gz	MVPHXLKEYRIBQM-MELADBBJSA-N	1	0	360.483	1.520	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1	ZINC001086764731	942432908	/nfs/dbraw/zinc/43/29/08/942432908.db2.gz	DVOASNQIQIDOEA-MANSERQUSA-N	1	0	365.518	1.317	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCO[C@H]1C=C	ZINC001170851762	942453369	/nfs/dbraw/zinc/45/33/69/942453369.db2.gz	AGFBAOVJZMCEJI-BBWFWOEESA-N	1	0	351.491	1.534	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)nc1Cl	ZINC000817165026	942599413	/nfs/dbraw/zinc/59/94/13/942599413.db2.gz	VVBGITZOAOGGQP-UHFFFAOYSA-N	1	0	363.849	1.329	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](Cc2cccc(CN3CCOCC3)c2)CC1	ZINC000817274488	942674708	/nfs/dbraw/zinc/67/47/08/942674708.db2.gz	MBUNOMJTBDSKIN-UHFFFAOYSA-N	1	0	355.482	1.480	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCCCC(=O)N3)C2)c1	ZINC001086800343	942702254	/nfs/dbraw/zinc/70/22/54/942702254.db2.gz	GWXGLDHSQUIAFE-IPMKNSEASA-N	1	0	368.481	1.992	20	30		FDEDRO
CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1nc2ccccc2nc1C(C#N)C#N	ZINC001170867486	942766672	/nfs/dbraw/zinc/76/66/72/942766672.db2.gz	GYWXVXPEEMMVPJ-IUODEOHRSA-N	1	0	350.382	1.324	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2c(C)c[nH]c2CC(N)=O)C1	ZINC001086809441	942851534	/nfs/dbraw/zinc/85/15/34/942851534.db2.gz	NYODTIGQANZICG-QWHCGFSZSA-N	1	0	352.866	1.592	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)c1	ZINC000817822001	943026971	/nfs/dbraw/zinc/02/69/71/943026971.db2.gz	GWGWGZRWLHLXIX-QGZVFWFLSA-N	1	0	363.461	1.921	20	30		FDEDRO
C=CCCN(OCc1ccccc1)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2	ZINC000817985954	943117919	/nfs/dbraw/zinc/11/79/19/943117919.db2.gz	ONQCYFATQRSUKF-HDICACEKSA-N	1	0	357.454	1.876	20	30		FDEDRO
C=CCCN(OCc1ccccc1)C(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1	ZINC000817986490	943119623	/nfs/dbraw/zinc/11/96/23/943119623.db2.gz	QNLRTDREAUZRJD-DOTOQJQBSA-N	1	0	361.442	1.098	20	30		FDEDRO
C=CCCN(OCc1ccccc1)C(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1	ZINC000817986491	943119732	/nfs/dbraw/zinc/11/97/32/943119732.db2.gz	QNLRTDREAUZRJD-NVXWUHKLSA-N	1	0	361.442	1.098	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cnoc3CC)C2)C1=O	ZINC001086817959	943139778	/nfs/dbraw/zinc/13/97/78/943139778.db2.gz	KFRBIJXUTVYKNJ-SQWLQELKSA-N	1	0	360.458	1.512	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CNC(=O)c1ccc(Br)cc1	ZINC000818612259	943300835	/nfs/dbraw/zinc/30/08/35/943300835.db2.gz	QVUNGYUHLJMOFK-UHFFFAOYSA-N	1	0	366.259	1.250	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@H](NC(=O)NCc1ccccc1)C(C)C	ZINC000818611808	943301693	/nfs/dbraw/zinc/30/16/93/943301693.db2.gz	DMZWFNXQOFPCFD-GOSISDBHSA-N	1	0	358.486	1.582	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1cc2c(c(Br)c1)OCO2	ZINC000818615780	943303914	/nfs/dbraw/zinc/30/39/14/943303914.db2.gz	VPZALUGPUQTSLO-UHFFFAOYSA-N	1	0	353.216	1.863	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1	ZINC000818615255	943304259	/nfs/dbraw/zinc/30/42/59/943304259.db2.gz	FWKYGSRHRVFUHV-UHFFFAOYSA-N	1	0	365.499	1.402	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1	ZINC000818653866	943318475	/nfs/dbraw/zinc/31/84/75/943318475.db2.gz	VNYZLGLSBVPFII-ZWKOTPCHSA-N	1	0	353.426	1.068	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H]3CCN(C)C3=O)C2)cc1	ZINC001086821950	943319258	/nfs/dbraw/zinc/31/92/58/943319258.db2.gz	JDFSJRZYJUGZJL-WDYCEAGBSA-N	1	0	369.465	1.417	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@]1(CC#C)CCCN1C(=O)OC(C)(C)C	ZINC000818592965	943324179	/nfs/dbraw/zinc/32/41/79/943324179.db2.gz	GPLGUWHVIFICDO-FQEVSTJZSA-N	1	0	361.486	1.851	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2OC)C1	ZINC000818593022	943324530	/nfs/dbraw/zinc/32/45/30/943324530.db2.gz	HZUMDNKYDNGKAK-OAHLLOKOSA-N	1	0	373.453	1.128	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(-n3ccnc3)nc2)cc1	ZINC000818951648	943361322	/nfs/dbraw/zinc/36/13/22/943361322.db2.gz	MFWLTBPTMVMDSM-SFHVURJKSA-N	1	0	363.421	1.863	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cn(C)nc3C)C2)nn1	ZINC001086823681	943368583	/nfs/dbraw/zinc/36/85/83/943368583.db2.gz	QJUBXMGEZJHLOL-GOEBONIOSA-N	1	0	357.462	1.194	20	30		FDEDRO
C=CCc1cc(C[NH2+]CC2(O)CCS(=O)(=O)CC2)cc(OC)c1OC	ZINC000818988167	943374906	/nfs/dbraw/zinc/37/49/06/943374906.db2.gz	FGLJIKGGNZBSGP-UHFFFAOYSA-N	1	0	369.483	1.462	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCc3ccns3)C2)nn1	ZINC001086823371	943387477	/nfs/dbraw/zinc/38/74/77/943387477.db2.gz	ANRTVDRMJBDBFU-UONOGXRCSA-N	1	0	360.487	1.651	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)cc1	ZINC000819055450	943397787	/nfs/dbraw/zinc/39/77/87/943397787.db2.gz	QRTXKWRGPHJDJZ-LPHOPBHVSA-N	1	0	350.422	1.559	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1	ZINC000819015683	943402638	/nfs/dbraw/zinc/40/26/38/943402638.db2.gz	NJQZFCKSYRINSC-CQSZACIVSA-N	1	0	350.260	1.757	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(C)no3)C2)nn1	ZINC001086824350	943429172	/nfs/dbraw/zinc/42/91/72/943429172.db2.gz	CMQLZAQPCYDBGJ-LSDHHAIUSA-N	1	0	358.446	1.839	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnn(C)n2)C1	ZINC001086824875	943437048	/nfs/dbraw/zinc/43/70/48/943437048.db2.gz	DMPYXVVQUHCCAW-MVJTYMMSSA-N	1	0	361.490	1.561	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnc(C)nc3)C2)nn1	ZINC001086825100	943438037	/nfs/dbraw/zinc/43/80/37/943438037.db2.gz	QAQCMIRUUQOWIE-DOTOQJQBSA-N	1	0	369.473	1.641	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000819196382	943471333	/nfs/dbraw/zinc/47/13/33/943471333.db2.gz	AZVGUVFONCTVQN-MRXNPFEDSA-N	1	0	361.442	1.754	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H]2COC3(CCCC3)O2)c1	ZINC000819205950	943475052	/nfs/dbraw/zinc/47/50/52/943475052.db2.gz	TVEZSOFWGKBZMC-OAHLLOKOSA-N	1	0	350.440	1.607	20	30		FDEDRO
C#C[C@H]([NH2+]C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCCO1	ZINC000819243229	943480345	/nfs/dbraw/zinc/48/03/45/943480345.db2.gz	ZRLURLBGRMSBHM-GVDBMIGSSA-N	1	0	352.475	1.765	20	30		FDEDRO
CCOC(=O)c1ccc(N2CC([NH2+]C[C@H](O)c3ccc(C#N)cc3)C2)nc1	ZINC000819220608	943493571	/nfs/dbraw/zinc/49/35/71/943493571.db2.gz	CARSCJFCSQODEH-SFHVURJKSA-N	1	0	366.421	1.642	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)cc1	ZINC000819295210	943507372	/nfs/dbraw/zinc/50/73/72/943507372.db2.gz	RPHGJYRBASUIIK-ICSRJNTNSA-N	1	0	365.433	1.861	20	30		FDEDRO
C[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)NC(=O)OC(C)(C)C	ZINC000819274858	943522288	/nfs/dbraw/zinc/52/22/88/943522288.db2.gz	MWLFRJNGQFENKR-CYBMUJFWSA-N	1	0	367.471	1.835	20	30		FDEDRO
C=C[C@H]1C[C@@]1(Nc1ccc(C(=O)NC2CC[NH+](C)CC2)nn1)C(=O)OCC	ZINC001170925728	943548037	/nfs/dbraw/zinc/54/80/37/943548037.db2.gz	UQDAMFQITPWZTD-DJJJIMSYSA-N	1	0	373.457	1.220	20	30		FDEDRO
C[N@H+]1CC=C(CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1	ZINC000819465822	943603245	/nfs/dbraw/zinc/60/32/45/943603245.db2.gz	CUIZPJACBLMHMS-OAHLLOKOSA-N	1	0	350.463	1.952	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H]2C1	ZINC000819541426	943609659	/nfs/dbraw/zinc/60/96/59/943609659.db2.gz	SUHUUCHYWQIHQD-SOUVJXGZSA-N	1	0	350.463	1.736	20	30		FDEDRO
CC(C)(C)NS(=O)(=O)c1ccccc1N=NC1CC[NH+](CCO)CC1	ZINC000819805951	943748681	/nfs/dbraw/zinc/74/86/81/943748681.db2.gz	FQXZYLCEGDWNQX-UHFFFAOYSA-N	1	0	368.503	1.619	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2nnc[nH]2)C1	ZINC001086832199	943929448	/nfs/dbraw/zinc/92/94/48/943929448.db2.gz	GZIFWSZTRPICRK-DZGCQCFKSA-N	1	0	354.414	1.373	20	30		FDEDRO
O=C(N[C@@H]1CCN(O)C1=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1	ZINC000820185189	943939714	/nfs/dbraw/zinc/93/97/14/943939714.db2.gz	JXVYYPFGSKYGSD-CJNGLKHVSA-N	1	0	371.359	1.547	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C	ZINC001136421096	944372884	/nfs/dbraw/zinc/37/28/84/944372884.db2.gz	FTECACOKKUQGRC-UHFFFAOYSA-N	1	0	353.488	1.497	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1	ZINC000821920268	944761022	/nfs/dbraw/zinc/76/10/22/944761022.db2.gz	QPPPFKCFIGWOBB-CABCVRRESA-N	1	0	362.474	1.738	20	30		FDEDRO
C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)[C@@H](O)c1ccc(C#N)cc1	ZINC000856411357	971130495	/nfs/dbraw/zinc/13/04/95/971130495.db2.gz	UYWYBFXCMTYFEQ-ROUUACIJSA-N	1	0	357.454	1.693	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](C)C[NH+](C)C)s1	ZINC000823096091	945440443	/nfs/dbraw/zinc/44/04/43/945440443.db2.gz	YMGDMYKELBDPER-LBPRGKRZSA-N	1	0	359.517	1.069	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)s1	ZINC000823160952	945541586	/nfs/dbraw/zinc/54/15/86/945541586.db2.gz	MVEFOFIEAYQXDJ-JSGCOSHPSA-N	1	0	371.528	1.306	20	30		FDEDRO
CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@H]1C	ZINC001090720197	945966977	/nfs/dbraw/zinc/96/69/77/945966977.db2.gz	SPEIYHPUHWHXGE-GHMZBOCLSA-N	1	0	355.895	1.949	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1C)[NH+]1CCCC1	ZINC001090720853	945968378	/nfs/dbraw/zinc/96/83/78/945968378.db2.gz	FDYGJHBAGQXTLO-DJIMGWMZSA-N	1	0	356.474	1.410	20	30		FDEDRO
C#CCN(CC(=O)NC1CC[NH+](CCOC)CC1)C(=O)OC(C)(C)C	ZINC000823750870	945984889	/nfs/dbraw/zinc/98/48/89/945984889.db2.gz	YANAHMWDFCGNRG-UHFFFAOYSA-N	1	0	353.463	1.084	20	30		FDEDRO
Cc1nc(N2C[C@@H](C)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)ccc1C#N	ZINC001090754821	946280940	/nfs/dbraw/zinc/28/09/40/946280940.db2.gz	VDQBWXSRFXLDET-RDTXWAMCSA-N	1	0	371.485	1.313	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1C	ZINC001090778304	946568895	/nfs/dbraw/zinc/56/88/95/946568895.db2.gz	TYPUOFQQJICVSD-BYCMXARLSA-N	1	0	367.494	1.944	20	30		FDEDRO
C#CCCCC(=O)NCC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1	ZINC001573284178	946738616	/nfs/dbraw/zinc/73/86/16/946738616.db2.gz	ULIBSAWZTYIZCU-UHFFFAOYSA-N	1	0	353.430	1.398	20	30		FDEDRO
C#CCCCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573284765	946757611	/nfs/dbraw/zinc/75/76/11/946757611.db2.gz	LETWHAICJNNDFG-QGZVFWFLSA-N	1	0	352.442	1.703	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573285186	946771827	/nfs/dbraw/zinc/77/18/27/946771827.db2.gz	UGEWYWUYVQARCS-OAHLLOKOSA-N	1	0	356.405	1.500	20	30		FDEDRO
C#CCCCC(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C	ZINC001573285583	946783313	/nfs/dbraw/zinc/78/33/13/946783313.db2.gz	ZQNAJTNGXLOKTH-WMLDXEAASA-N	1	0	352.442	1.749	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)cc1	ZINC001573289436	946884439	/nfs/dbraw/zinc/88/44/39/946884439.db2.gz	YYIXIGSMHUAJKJ-GOSISDBHSA-N	1	0	372.432	1.852	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H](C)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001573292011	946925452	/nfs/dbraw/zinc/92/54/52/946925452.db2.gz	MRZGXNOCTAYQBD-VIFPVBQESA-N	1	0	368.239	1.154	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(CCOCC(F)(F)F)C[C@H]2O)CC1	ZINC001195876862	971301620	/nfs/dbraw/zinc/30/16/20/971301620.db2.gz	SJAGGIREDWMEAC-ZIAGYGMSSA-N	1	0	350.381	1.473	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)CCC[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1	ZINC001573560460	946953432	/nfs/dbraw/zinc/95/34/32/946953432.db2.gz	CSVHKKFSSCAVGQ-GFCCVEGCSA-N	1	0	359.409	1.446	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC(C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)CC1	ZINC001573563735	946986303	/nfs/dbraw/zinc/98/63/03/946986303.db2.gz	CMCFSLKTVUKIMD-CQSZACIVSA-N	1	0	367.457	1.697	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC([C@@H](C)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1	ZINC001573564770	946997521	/nfs/dbraw/zinc/99/75/21/946997521.db2.gz	KLLDZVCHKBVJHA-ZIAGYGMSSA-N	1	0	367.457	1.743	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC[C@@H]21	ZINC001573295502	947019830	/nfs/dbraw/zinc/01/98/30/947019830.db2.gz	QVMJTCSLLJJTKD-FZMZJTMJSA-N	1	0	361.837	1.484	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCCCC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573566613	947028961	/nfs/dbraw/zinc/02/89/61/947028961.db2.gz	DSBHZUMIKBEPFU-WMLDXEAASA-N	1	0	367.457	1.887	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573566916	947034706	/nfs/dbraw/zinc/03/47/06/947034706.db2.gz	HPLCNRQWRVANOI-PBHICJAKSA-N	1	0	367.457	1.839	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1	ZINC001573567748	947054870	/nfs/dbraw/zinc/05/48/70/947054870.db2.gz	RYAPZPXHNBZMQW-RYUDHWBXSA-N	1	0	359.459	1.511	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1	ZINC001573570197	947083852	/nfs/dbraw/zinc/08/38/52/947083852.db2.gz	LUGPRJFAEMBRCH-CPUCHLNUSA-N	1	0	367.457	1.743	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573570473	947089060	/nfs/dbraw/zinc/08/90/60/947089060.db2.gz	PVLXDZYUBJHGTJ-UEKVPHQBSA-N	1	0	357.393	1.102	20	30		FDEDRO
C=C(Cl)C[NH2+]CC1(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCCC1	ZINC001573299311	947090583	/nfs/dbraw/zinc/09/05/83/947090583.db2.gz	SFTIQQDLIXKNAL-UHFFFAOYSA-N	1	0	363.853	1.970	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573299264	947092181	/nfs/dbraw/zinc/09/21/81/947092181.db2.gz	SDEFJFFVSCZCDK-HZMBPMFUSA-N	1	0	363.853	1.778	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573570783	947094069	/nfs/dbraw/zinc/09/40/69/947094069.db2.gz	UAXHJGLTTKHOTH-SQWLQELKSA-N	1	0	367.457	1.601	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC1CC2(C1)CC([NH2+]Cc1ccccc1-c1nn[nH]n1)C2	ZINC001573572228	947111061	/nfs/dbraw/zinc/11/10/61/947111061.db2.gz	FXTOPDXVHKQQNP-BGKUVQOXSA-N	1	0	365.441	1.543	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc(C)[nH+]cc1-c1nn[nH]n1	ZINC001573300825	947121935	/nfs/dbraw/zinc/12/19/35/947121935.db2.gz	OULKEAJRVLQSGS-OKILXGFUSA-N	1	0	367.457	1.962	20	30		FDEDRO
C=C(C)CCC(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccccc1-c1nn[nH]n1	ZINC001573300830	947122452	/nfs/dbraw/zinc/12/24/52/947122452.db2.gz	USLONTLMDMDIHK-MRXNPFEDSA-N	1	0	372.473	1.474	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC1(C)CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1	ZINC001573574373	947128826	/nfs/dbraw/zinc/12/88/26/947128826.db2.gz	RMPCAEBHBVJGFO-ZDUSSCGKSA-N	1	0	353.430	1.497	20	30		FDEDRO
CC(C)[C@H](CNC(=O)[C@@H](C)C#N)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1	ZINC001573576396	947152494	/nfs/dbraw/zinc/15/24/94/947152494.db2.gz	HLLVKGMVSGYXIV-NHYWBVRUSA-N	1	0	359.409	1.396	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@]1(C)CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573577130	947161775	/nfs/dbraw/zinc/16/17/75/947161775.db2.gz	MPRGKCGOMOFNIY-PXAZEXFGSA-N	1	0	354.418	1.144	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1	ZINC001573578072	947180295	/nfs/dbraw/zinc/18/02/95/947180295.db2.gz	XWBSORGZNNYGPJ-GFCCVEGCSA-N	1	0	354.418	1.144	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573583788	947207658	/nfs/dbraw/zinc/20/76/58/947207658.db2.gz	OVLSEFFBKWCCAV-ZFWWWQNUSA-N	1	0	353.430	1.355	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573584311	947219806	/nfs/dbraw/zinc/21/98/06/947219806.db2.gz	SXSBEPFVDIDHJM-RISCZKNCSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573586209	947280072	/nfs/dbraw/zinc/28/00/72/947280072.db2.gz	LYRDREXEMPPSOS-MJVIPROJSA-N	1	0	357.393	1.150	20	30		FDEDRO
C=CC1(CC(=O)N(C)CC[N@H+](C)CCO)CN(C(=O)OC(C)(C)C)C1	ZINC000825527435	947303570	/nfs/dbraw/zinc/30/35/70/947303570.db2.gz	NYKZSTKSCOJOHT-UHFFFAOYSA-N	1	0	355.479	1.182	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCn2cccn2)C[C@H]1c1ccc(OC)cc1	ZINC001090863505	947319166	/nfs/dbraw/zinc/31/91/66/947319166.db2.gz	MZLNJKREGPTBGV-RBUKOAKNSA-N	1	0	352.438	1.499	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H](C)CNc2cc[nH+]cc2-c2nn[nH]n2)CCCC1	ZINC001573328712	947410720	/nfs/dbraw/zinc/41/07/20/947410720.db2.gz	AHZLCHUEUSDVBM-ZDUSSCGKSA-N	1	0	355.446	1.737	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CO[C@@H]2CCOC2)C[C@H]1c1ccc(OC)cc1	ZINC001090871074	947420194	/nfs/dbraw/zinc/42/01/94/947420194.db2.gz	PWSKCSFCVWNMNS-CEXWTWQISA-N	1	0	360.454	1.571	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cncnc2)C[C@H]1c1ccc(OC)cc1	ZINC001090870543	947469608	/nfs/dbraw/zinc/46/96/08/947469608.db2.gz	HWGIFPUZYCSHRY-RBUKOAKNSA-N	1	0	350.422	1.245	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C2(C)CC(=C)C2)C1	ZINC001196019534	971385513	/nfs/dbraw/zinc/38/55/13/971385513.db2.gz	HFEMKZGZAIWRLM-BRWVUGGUSA-N	1	0	363.502	1.317	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573336104	947500080	/nfs/dbraw/zinc/50/00/80/947500080.db2.gz	INILTAWAHXZERO-MRXNPFEDSA-N	1	0	370.457	1.492	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2coc(OC)n2)C[C@H]1c1ccc(OC)cc1	ZINC001090876433	947557568	/nfs/dbraw/zinc/55/75/68/947557568.db2.gz	ZLTGVPPKSFPHJK-JKSUJKDBSA-N	1	0	355.394	1.523	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1c1ccc(OC)cc1	ZINC001090880678	947594254	/nfs/dbraw/zinc/59/42/54/947594254.db2.gz	FHCWDLUKTXSQOU-MAUKXSAKSA-N	1	0	368.437	1.506	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]2NCC#N)cc1	ZINC001090880735	947594959	/nfs/dbraw/zinc/59/49/59/947594959.db2.gz	IDCVIXJBSIHKSR-ZYSHUDEJSA-N	1	0	356.470	1.445	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC(=O)N2C)C[C@H]1c1ccc(OC)cc1	ZINC001090884201	947637478	/nfs/dbraw/zinc/63/74/78/947637478.db2.gz	CPMDKDHPQDZWHR-OTWHNJEPSA-N	1	0	371.481	1.776	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)=O)C[C@H]1c1ccc(OC)cc1	ZINC001090884362	947640367	/nfs/dbraw/zinc/64/03/67/947640367.db2.gz	MZESYAUHTLWYJW-ZCNNSNEGSA-N	1	0	371.481	1.776	20	30		FDEDRO
CC#CCCCC(=O)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1	ZINC001573358974	947674823	/nfs/dbraw/zinc/67/48/23/947674823.db2.gz	SMXDVROKPPLGHZ-HNNXBMFYSA-N	1	0	367.457	1.930	20	30		FDEDRO
CO[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)CCC[NH+]1CCCC1	ZINC001090892551	947748698	/nfs/dbraw/zinc/74/86/98/947748698.db2.gz	UKWAEULKIOKZJS-QZTJIDSGSA-N	1	0	357.458	1.149	20	30		FDEDRO
CC[NH+](CC)CC(=O)N[C@@H]1CN(c2snc(Cl)c2C#N)C[C@H]1OC	ZINC001090895606	947795473	/nfs/dbraw/zinc/79/54/73/947795473.db2.gz	KEVBPQVBQGQNHJ-VXGBXAGGSA-N	1	0	371.894	1.330	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+](C)C[C@](C)(O)CN(C)C(=O)OC(C)(C)C)C1=O	ZINC000844324824	947993323	/nfs/dbraw/zinc/99/33/23/947993323.db2.gz	MNVWLOYRTLOVMJ-KDOFPFPSSA-N	1	0	355.479	1.323	20	30		FDEDRO
C[N@@H+](C[C@H](O)c1cccc(C#N)c1)C[C@H](O)COc1ccc(C#N)cc1	ZINC000844367298	948016629	/nfs/dbraw/zinc/01/66/29/948016629.db2.gz	STFCNZDDLJIBHS-ICSRJNTNSA-N	1	0	351.406	1.835	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@@H]2c3c[nH]nc3CN2C(=O)OC(C)(C)C)CC1	ZINC001144002704	948094852	/nfs/dbraw/zinc/09/48/52/948094852.db2.gz	CROTVXGKGXCDMX-AWEZNQCLSA-N	1	0	374.445	1.306	20	30		FDEDRO
COc1ccc(-c2cc(C(=O)NC3(C#N)CC[NH+](C)CC3)[nH]n2)c(OC)c1	ZINC001144004278	948096114	/nfs/dbraw/zinc/09/61/14/948096114.db2.gz	WFGBTUJOKMYCKT-UHFFFAOYSA-N	1	0	369.425	1.812	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(-n3cccn3)c2)C1	ZINC001196130853	971467594	/nfs/dbraw/zinc/46/75/94/971467594.db2.gz	LXDBSPVLORNYLW-QZTJIDSGSA-N	1	0	369.469	1.789	20	30		FDEDRO
CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2cncc(C#N)n2)C1)C(C)C	ZINC001090993555	948281414	/nfs/dbraw/zinc/28/14/14/948281414.db2.gz	NTMXJJHFMGUHNM-QGPMSJSTSA-N	1	0	358.490	1.973	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3COC[C@@H](CC(=O)NC4CCC4)[C@@H]3C2)nc1	ZINC001144158635	948302532	/nfs/dbraw/zinc/30/25/32/948302532.db2.gz	OGGUCKKZWLUHSB-MDZRGWNJSA-N	1	0	354.454	1.706	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2ncccn2)C3)nc1	ZINC001144160404	948304924	/nfs/dbraw/zinc/30/49/24/948304924.db2.gz	JEDJHMUAYOAVPM-FQEVSTJZSA-N	1	0	364.453	1.862	20	30		FDEDRO
COCCO[C@H]1CC[N@H+](Cc2ccc(C#N)cn2)[C@H]1Cc1cnn(C)c1	ZINC001144160541	948305685	/nfs/dbraw/zinc/30/56/85/948305685.db2.gz	KMLJTHGDDJFSNN-OALUTQOASA-N	1	0	355.442	1.535	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)C1	ZINC000844862524	948439815	/nfs/dbraw/zinc/43/98/15/948439815.db2.gz	LRPLYOHMNNEVKY-MOPGFXCFSA-N	1	0	374.485	1.590	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](C(=O)OC)[C@H]2CCC[C@H](OC)C2)CC1	ZINC000844974906	948550479	/nfs/dbraw/zinc/55/04/79/948550479.db2.gz	LXHJQNIWVHPBIO-ULQDDVLXSA-N	1	0	350.459	1.195	20	30		FDEDRO
CC[C@@H](C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1O)[NH+](CC)CC	ZINC001196123395	971494981	/nfs/dbraw/zinc/49/49/81/971494981.db2.gz	QDVUGDDICAGUFQ-CEXWTWQISA-N	1	0	358.486	1.340	20	30		FDEDRO
CC[C@H](C(=O)N1CCO[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]21)[NH+](CC)CC	ZINC001091058191	948765325	/nfs/dbraw/zinc/76/53/25/948765325.db2.gz	GOAKNLMEENWMNM-CEXWTWQISA-N	1	0	371.485	1.490	20	30		FDEDRO
C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC1CCN(CC#N)CC1	ZINC000845494293	949379917	/nfs/dbraw/zinc/37/99/17/949379917.db2.gz	AWULZZYTVBHZBK-HNNXBMFYSA-N	1	0	368.478	1.363	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(C(N)=O)cn2)C1	ZINC001196283974	971605774	/nfs/dbraw/zinc/60/57/74/971605774.db2.gz	NMVWHTSREFGRBU-IAGOWNOFSA-N	1	0	360.458	1.010	20	30		FDEDRO
C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H](C)C[NH+]1CCCC1	ZINC000845665665	949804608	/nfs/dbraw/zinc/80/46/08/949804608.db2.gz	ZTNAGLKOOQRITB-UONOGXRCSA-N	1	0	365.455	1.253	20	30		FDEDRO
C=CCn1cc(C(=O)OC[C@H]2CCC[N@H+](C3CC3)[C@@H]2c2cncn2C)nn1	ZINC000845809619	949919016	/nfs/dbraw/zinc/91/90/16/949919016.db2.gz	FQGNIJKPMLJJMN-KDOFPFPSSA-N	1	0	370.457	1.970	20	30		FDEDRO
C#Cc1ccc(C[N@H+]2Cc3ccnn3C[C@@H](COCC(=O)N(C)C)C2)cc1	ZINC001144568858	949946453	/nfs/dbraw/zinc/94/64/53/949946453.db2.gz	GHZJHMNQCKBXNU-IBGZPJMESA-N	1	0	366.465	1.601	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1	ZINC000845891698	950106947	/nfs/dbraw/zinc/10/69/47/950106947.db2.gz	XBNSRPYZGGUGQK-KGLIPLIRSA-N	1	0	365.455	1.496	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCc1cc[nH]c(=O)c1)C2	ZINC001110719391	971643519	/nfs/dbraw/zinc/64/35/19/971643519.db2.gz	QSGYFCHPUZXCGP-ZACQAIPSSA-N	1	0	361.442	1.228	20	30		FDEDRO
C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)/C=C/C(=O)c2ccccc2)CC1	ZINC001144714872	950514343	/nfs/dbraw/zinc/51/43/43/950514343.db2.gz	RMVZLVMUALQDRJ-ROUSTIRRSA-N	1	0	357.454	1.531	20	30		FDEDRO
C[C@@H](CN(C)C(=O)c1ccc(C#N)[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1	ZINC001574754117	950562622	/nfs/dbraw/zinc/56/26/22/950562622.db2.gz	YBKWJEHZQKLIOM-LBPRGKRZSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C#N)cn1	ZINC000846158897	950577999	/nfs/dbraw/zinc/57/79/99/950577999.db2.gz	GQWPGVKQOVFPCG-HNNXBMFYSA-N	1	0	361.446	1.414	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1	ZINC000846229360	950750046	/nfs/dbraw/zinc/75/00/46/950750046.db2.gz	TUCIOUXFSSQSAM-HDICACEKSA-N	1	0	357.454	1.763	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]2CCN(c3nc(C)cc(C#N)n3)[C@H]2C1	ZINC001091224519	951081223	/nfs/dbraw/zinc/08/12/23/951081223.db2.gz	RXRDTJNAANUOOE-RDJZCZTQSA-N	1	0	370.501	1.814	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N2CC[C@H]3CCN(c4cnc(C#N)cn4)[C@H]3C2)CC1	ZINC001091226546	951100539	/nfs/dbraw/zinc/10/05/39/951100539.db2.gz	QLSABEVBLWWTTJ-HOCLYGCPSA-N	1	0	354.458	1.117	20	30		FDEDRO
C[C@@H]1[C@H](Nc2cnc(-c3nn[nH]n3)c(C#N)n2)CC[N@@H+]1Cc1ccccc1	ZINC001571000129	951108585	/nfs/dbraw/zinc/10/85/85/951108585.db2.gz	GFEVXTRWJKTUHK-TZMCWYRMSA-N	1	0	361.413	1.603	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC([NH2+]Cc2nnc(C(C)(C)C)[nH]2)C1	ZINC001091238588	951124202	/nfs/dbraw/zinc/12/42/02/951124202.db2.gz	ABPSUOXFFBSFEV-CVSAEHQPSA-N	1	0	361.490	1.678	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1Nc1ncccc1C#N	ZINC001091259380	951234478	/nfs/dbraw/zinc/23/44/78/951234478.db2.gz	QOGHXDVRLCFKIJ-KBAYOESNSA-N	1	0	371.485	1.761	20	30		FDEDRO
N#Cc1nccc(N[C@@H]2CCCC[C@H]2NC(=O)CCC[NH+]2CCCCC2)n1	ZINC001091260749	951237779	/nfs/dbraw/zinc/23/77/79/951237779.db2.gz	NWFRAKLLANSQLD-IAGOWNOFSA-N	1	0	370.501	1.876	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2ccc(OC)nn2)C1	ZINC001091278266	951293423	/nfs/dbraw/zinc/29/34/23/951293423.db2.gz	LOGPETZPWHHRJS-NTKFSPQFSA-N	1	0	360.458	1.451	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2cncc(OC)n2)C1	ZINC001091278571	951295321	/nfs/dbraw/zinc/29/53/21/951295321.db2.gz	RWRIMWRMNAOONC-WINAAZSOSA-N	1	0	360.458	1.451	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2ccc(C(N)=O)cc2)C1	ZINC001091279488	951298728	/nfs/dbraw/zinc/29/87/28/951298728.db2.gz	JGHXBBYFTOKDDS-FYOYPEGLSA-N	1	0	371.481	1.751	20	30		FDEDRO
C[NH+]1CCN(c2ccccc2CNC(=O)CNc2ccc(C#N)cn2)CC1	ZINC001144865966	951324006	/nfs/dbraw/zinc/32/40/06/951324006.db2.gz	ZXRKJZDLBYMAPH-UHFFFAOYSA-N	1	0	364.453	1.433	20	30		FDEDRO
CCc1noc([C@H]2CCCN(C(=O)[C@@H]([NH3+])Cc3ccccc3C#N)C2)n1	ZINC001160741324	951409902	/nfs/dbraw/zinc/40/99/02/951409902.db2.gz	HTAFCDGHWBSMCP-HOTGVXAUSA-N	1	0	353.426	1.780	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1	ZINC000846732363	951506420	/nfs/dbraw/zinc/50/64/20/951506420.db2.gz	BRLHGDHVIRWYKW-ROUUACIJSA-N	1	0	372.469	1.041	20	30		FDEDRO
CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1	ZINC000846732750	951508158	/nfs/dbraw/zinc/50/81/58/951508158.db2.gz	QQEFKDGPLABPKB-ZWKOTPCHSA-N	1	0	372.469	1.041	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1)C(C)(C)C[NH+](C)C	ZINC000846731863	951508293	/nfs/dbraw/zinc/50/82/93/951508293.db2.gz	CRTHOEIVNRZNSP-YOEHRIQHSA-N	1	0	374.485	1.143	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H]3CCO[C@H]3C=C)c2)C1	ZINC001091405191	951599899	/nfs/dbraw/zinc/59/98/99/951599899.db2.gz	SRXHXIPJSSFWSU-QRVBRYPASA-N	1	0	357.454	1.928	20	30		FDEDRO
N#Cc1cccc(OCC[N@@H+]2CCc3c(sc(N)c3-c3nn[nH]n3)C2)c1	ZINC001571038447	951644626	/nfs/dbraw/zinc/64/46/26/951644626.db2.gz	VQHZENMZPWUKJZ-UHFFFAOYSA-N	1	0	367.438	1.819	20	30		FDEDRO
C#C[C@@H]1CCCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)C1	ZINC000847032434	951782282	/nfs/dbraw/zinc/78/22/82/951782282.db2.gz	SWRJMTICYBSFMI-CQSZACIVSA-N	1	0	357.410	1.841	20	30		FDEDRO
C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001575101507	951859335	/nfs/dbraw/zinc/85/93/35/951859335.db2.gz	FXLOUIQSJGATJG-LBPRGKRZSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]Cc1ccc(C#N)cc1	ZINC001575101502	951859453	/nfs/dbraw/zinc/85/94/53/951859453.db2.gz	FWVGZGBAYPZNAS-GFCCVEGCSA-N	1	0	364.413	1.222	20	30		FDEDRO
C[C@]12CN(C(=O)c3cc[nH]n3)C[C@H]1C[N@H+](CC#Cc1ccc(F)cc1)C2	ZINC001091500488	951887612	/nfs/dbraw/zinc/88/76/12/951887612.db2.gz	YQUPKFWTWBCDPW-UZLBHIALSA-N	1	0	352.413	1.994	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)c4cn[nH]c4)C[C@]3(C)C2)cc1C#N	ZINC001091510839	951906435	/nfs/dbraw/zinc/90/64/35/951906435.db2.gz	HXELMHGWOHKAEV-XLIONFOSSA-N	1	0	365.437	1.884	20	30		FDEDRO
C[NH+](C)CCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1c1ccccc1	ZINC001091532515	951954412	/nfs/dbraw/zinc/95/44/12/951954412.db2.gz	YWNWCTHALHQYLN-ZWKOTPCHSA-N	1	0	364.453	1.389	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)C[C@@]2(C)C1	ZINC001091543750	951981321	/nfs/dbraw/zinc/98/13/21/951981321.db2.gz	OKYHFBHHOMIIKJ-KKVAFCGZSA-N	1	0	355.438	1.898	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001571084282	952188020	/nfs/dbraw/zinc/18/80/20/952188020.db2.gz	GHSSTKQBNNQWNG-GXTWGEPZSA-N	1	0	371.420	1.446	20	30		FDEDRO
C[NH+]1CCC(CC(=O)NC[C@H]2CC[C@@H](Nc3cncc(C#N)n3)C2)CC1	ZINC001091607131	952263549	/nfs/dbraw/zinc/26/35/49/952263549.db2.gz	LAXCYFQUECXJHU-JKSUJKDBSA-N	1	0	356.474	1.777	20	30		FDEDRO
C[C@H](C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@]2(C)C1)n1cncn1	ZINC001091610194	952278607	/nfs/dbraw/zinc/27/86/07/952278607.db2.gz	JJTVOTUTDBFFKA-LBTNJELSSA-N	1	0	370.482	1.753	20	30		FDEDRO
CN1CCOC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@@]2(C)C1	ZINC001091612209	952293850	/nfs/dbraw/zinc/29/38/50/952293850.db2.gz	OADKUFXNVDKWMQ-URVUXULASA-N	1	0	367.493	1.149	20	30		FDEDRO
C[C@]12CN(C(=O)CC3OCCCO3)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001091613964	952301032	/nfs/dbraw/zinc/30/10/32/952301032.db2.gz	XWHOQVKTBVDPNT-KNQAVFIVSA-N	1	0	368.477	1.972	20	30		FDEDRO
CC(=O)N1CC(C(=O)N2C[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@@]3(C)C2)C1	ZINC001091626751	952363656	/nfs/dbraw/zinc/36/36/56/952363656.db2.gz	NOXRRDGXZZKOMQ-CTNGQTDRSA-N	1	0	366.465	1.317	20	30		FDEDRO
Cn1oc(C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@@]3(C)C2)cc1=O	ZINC001091628404	952374408	/nfs/dbraw/zinc/37/44/08/952374408.db2.gz	GFOIGKHGONPIDC-UZLBHIALSA-N	1	0	366.421	1.444	20	30		FDEDRO
CCc1nc(C#N)cc(N[C@@H]2CC[C@H](CNC(=O)CCC[NH+](C)C)C2)n1	ZINC001091629128	952380049	/nfs/dbraw/zinc/38/00/49/952380049.db2.gz	MRMYLIALHAZDLR-LSDHHAIUSA-N	1	0	358.490	1.949	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)C1	ZINC001147591527	952449661	/nfs/dbraw/zinc/44/96/61/952449661.db2.gz	ZKXPZAOLLGWWAL-ZJPYXAASSA-N	1	0	357.498	1.814	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[C@@H](Nc2cnc(C#N)cn2)C1	ZINC001091646859	952485715	/nfs/dbraw/zinc/48/57/15/952485715.db2.gz	YCNGJYRXKZDOHH-UXLLHSPISA-N	1	0	356.474	1.919	20	30		FDEDRO
C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1	ZINC001091655753	952517172	/nfs/dbraw/zinc/51/71/72/952517172.db2.gz	OSEFMPFVQXDDPF-KPLVRAHFSA-N	1	0	371.525	1.827	20	30		FDEDRO
Cc1nnc(CN2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]3(C)C2)n1C1CC1	ZINC001091659226	952518776	/nfs/dbraw/zinc/51/87/76/952518776.db2.gz	IBVBPPBRILUPIT-UZLBHIALSA-N	1	0	353.470	1.615	20	30		FDEDRO
C=C(Br)CN1C[C@@H]2CN(C(=O)Cc3ccn(C)n3)C[C@]2(C)C1	ZINC001091664475	952539206	/nfs/dbraw/zinc/53/92/06/952539206.db2.gz	NUFPKVKUGAHQJV-CJNGLKHVSA-N	1	0	367.291	1.652	20	30		FDEDRO
COc1cccc(NC(=O)C[C@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)c1	ZINC000772985087	952612504	/nfs/dbraw/zinc/61/25/04/952612504.db2.gz	QWPGIMPBWJAZAQ-HVCBDAARSA-N	1	0	372.425	1.528	20	30		FDEDRO
CC[N@@H+]1CCO[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3C#N)C[C@@H]2C1	ZINC001196663235	971849673	/nfs/dbraw/zinc/84/96/73/971849673.db2.gz	JDHLGIFQZAKSHS-DZGCQCFKSA-N	1	0	369.874	1.553	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)C4C=CC=CC=C4)C[C@]3(C)C2)C1=O	ZINC001091707441	952693644	/nfs/dbraw/zinc/69/36/44/952693644.db2.gz	VBRXHSUOPYYBKJ-KNKQGSTJSA-N	1	0	367.493	1.852	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3c(CC)c(CC)n[nH]c3=O)C[C@]2(C)C1	ZINC001091712482	952703624	/nfs/dbraw/zinc/70/36/24/952703624.db2.gz	BFRFSKKKXCXJMO-VLIAUNLRSA-N	1	0	356.470	1.724	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)C1	ZINC001148413270	952723532	/nfs/dbraw/zinc/72/35/32/952723532.db2.gz	UMEZIYMDPCVIBC-ZWKOTPCHSA-N	1	0	359.514	1.991	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C)n3nnnc3C(C)(C)C)C[C@]2(C)C1	ZINC001091724690	952741373	/nfs/dbraw/zinc/74/13/73/952741373.db2.gz	JVAWQFRIOFRBDJ-CLCXKQKWSA-N	1	0	360.506	1.888	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C)n3nnnc3C(C)(C)C)C[C@]2(C)C1	ZINC001091724693	952741473	/nfs/dbraw/zinc/74/14/73/952741473.db2.gz	JYAFSZZHVUUKII-KHYOSLBOSA-N	1	0	358.490	1.335	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(N3CCCC3)n2)C1	ZINC001196675560	971862291	/nfs/dbraw/zinc/86/22/91/971862291.db2.gz	KVWCMSRZKXYOHH-USXIJHARSA-N	1	0	359.474	1.206	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NC[C@H]1CC[C@@H]([NH2+][C@@H](CC)C(N)=O)C1	ZINC001086849392	952756018	/nfs/dbraw/zinc/75/60/18/952756018.db2.gz	GARZNVSITGPXNF-ZNMIVQPWSA-N	1	0	360.458	1.398	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc(C4CC4)[nH]3)C2)nc1	ZINC001086857297	952904411	/nfs/dbraw/zinc/90/44/11/952904411.db2.gz	VIVOKQHFLGDOMS-GOEBONIOSA-N	1	0	364.453	1.747	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)CC1	ZINC001086943002	952945502	/nfs/dbraw/zinc/94/55/02/952945502.db2.gz	HOLPDBNLYYCJJG-YESZJQIVSA-N	1	0	363.502	1.689	20	30		FDEDRO
Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1c1cnn(C)c1	ZINC001086970724	952972343	/nfs/dbraw/zinc/97/23/43/952972343.db2.gz	FWZGKMZCMDYEEX-ZTFRIQLXSA-N	1	0	356.430	1.269	20	30		FDEDRO
Cc1cccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2c2cnn(C)c2)c1	ZINC001086971015	952972904	/nfs/dbraw/zinc/97/29/04/952972904.db2.gz	SRQMAGRBPGEMJO-AYOQOUSVSA-N	1	0	351.454	1.972	20	30		FDEDRO
CCc1onc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1c1cnn(C)c1	ZINC001086971501	952974333	/nfs/dbraw/zinc/97/43/33/952974333.db2.gz	QLYLTSQGNXWIDH-AFAVFJNCSA-N	1	0	370.457	1.523	20	30		FDEDRO
Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2c2cnn(C)c2)s1	ZINC001086978194	952989880	/nfs/dbraw/zinc/98/98/80/952989880.db2.gz	JKGUOBSGZYZFIJ-ZWKOTPCHSA-N	1	0	369.494	1.683	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2[NH2+]C[C@H]2CCCCO2)cn1	ZINC001086978591	952990901	/nfs/dbraw/zinc/99/09/01/952990901.db2.gz	FMUOCEDITDQUPL-CEXWTWQISA-N	1	0	356.470	1.287	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2c(CC)noc2CC)C[C@H]1c1cnn(C)c1	ZINC001086982735	952996210	/nfs/dbraw/zinc/99/62/10/952996210.db2.gz	AHOARQOHDMUNPE-FUHWJXTLSA-N	1	0	369.469	1.293	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)CC[C@@H](C)C3)C[C@H]1c1cnn(C)c1	ZINC001086983707	952997718	/nfs/dbraw/zinc/99/77/18/952997718.db2.gz	CLBXGWFRIQRDLI-HYVNUMGLSA-N	1	0	368.485	1.583	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCn3nccc32)C[C@H]1c1cnn(C)c1	ZINC001086985005	953000321	/nfs/dbraw/zinc/00/03/21/953000321.db2.gz	OZBWAWKHEMHMKR-FGTMMUONSA-N	1	0	368.485	1.654	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2c(C)noc2C)C[C@H]1c1cnn(C)c1	ZINC001086985083	953000718	/nfs/dbraw/zinc/00/07/18/953000718.db2.gz	SWQFRMOQNIBFKX-JEBQAFNWSA-N	1	0	369.469	1.736	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(-c3ccco3)on2)C[C@H]1c1cnn(C)c1	ZINC001086990079	953016350	/nfs/dbraw/zinc/01/63/50/953016350.db2.gz	IXWOLHCFDKOIFZ-GOEBONIOSA-N	1	0	365.393	1.499	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1O	ZINC001196691994	971890578	/nfs/dbraw/zinc/89/05/78/971890578.db2.gz	PZSQTAPYQZXENO-BRWVUGGUSA-N	1	0	351.491	1.055	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1O	ZINC001196691995	971891056	/nfs/dbraw/zinc/89/10/56/971891056.db2.gz	PZSQTAPYQZXENO-GVDBMIGSSA-N	1	0	351.491	1.055	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C2(CF)CCOCC2)C[C@H]1c1cnn(C)c1	ZINC001086997344	953040240	/nfs/dbraw/zinc/04/02/40/953040240.db2.gz	ZTZSOEVCDZFWIW-JKSUJKDBSA-N	1	0	350.438	1.256	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2)C[C@H]1O	ZINC001196692024	971892461	/nfs/dbraw/zinc/89/24/61/971892461.db2.gz	QXBPPHLQLRLYPX-GUDVDZBRSA-N	1	0	359.470	1.127	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cccc(OC)n2)C[C@H]1c1cnn(C)c1	ZINC001087004276	953061751	/nfs/dbraw/zinc/06/17/51/953061751.db2.gz	OZTRJAQZCGINRA-DOTOQJQBSA-N	1	0	355.442	1.598	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCn2cncn2)C1	ZINC001086995097	953066965	/nfs/dbraw/zinc/06/69/65/953066965.db2.gz	LMLNUGWTPJUYGP-SCTDSRPQSA-N	1	0	371.489	1.198	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087020311	953082534	/nfs/dbraw/zinc/08/25/34/953082534.db2.gz	MXTWEPAEHHCQGF-IEBWSBKVSA-N	1	0	365.437	1.615	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ncccc2OC)C[C@H]1c1cnn(C)c1	ZINC001087007017	953091732	/nfs/dbraw/zinc/09/17/32/953091732.db2.gz	HFFSJGKMOUOWQO-JKSUJKDBSA-N	1	0	355.442	1.598	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(OC)cc2)C[C@H]1c1cnn(C)c1	ZINC001087007235	953092472	/nfs/dbraw/zinc/09/24/72/953092472.db2.gz	UVYNGYZDZRIUSS-RBUKOAKNSA-N	1	0	352.438	1.189	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2ccccc2OC)C[C@H]1c1cnn(C)c1	ZINC001087008737	953096216	/nfs/dbraw/zinc/09/62/16/953096216.db2.gz	VTHJUTZWGNUZLY-RBUKOAKNSA-N	1	0	366.465	1.579	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc(NC(C)=O)c2)C[C@H]1c1cnn(C)c1	ZINC001087008895	953096471	/nfs/dbraw/zinc/09/64/71/953096471.db2.gz	CEKAGUBXIJAHMB-RBUKOAKNSA-N	1	0	365.437	1.210	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COc2ccccc2F)C[C@H]1c1cnn(C)c1	ZINC001087009216	953097233	/nfs/dbraw/zinc/09/72/33/953097233.db2.gz	WAGMRQAYTJAAOW-DOTOQJQBSA-N	1	0	356.401	1.155	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CN2CCc3ccccc32)C[C@H]1c1cnn(C)c1	ZINC001087009623	953098672	/nfs/dbraw/zinc/09/86/72/953098672.db2.gz	PVSQDGXJFUZAMW-RBUKOAKNSA-N	1	0	363.465	1.000	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cncnc2C(C)C)C[C@H]1c1cnn(C)c1	ZINC001087010045	953100582	/nfs/dbraw/zinc/10/05/82/953100582.db2.gz	JOJTXCAQHIIOLF-DLBZAZTESA-N	1	0	352.442	1.165	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC(C)C)cn2)C[C@H]1c1cnn(C)c1	ZINC001087012610	953107795	/nfs/dbraw/zinc/10/77/95/953107795.db2.gz	GZDQZOUJPBTTKF-PKOBYXMFSA-N	1	0	367.453	1.433	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087025671	953110170	/nfs/dbraw/zinc/11/01/70/953110170.db2.gz	KOGHVUNPWVLREB-RTBURBONSA-N	1	0	367.453	1.408	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087025744	953110177	/nfs/dbraw/zinc/11/01/77/953110177.db2.gz	OGFBENZELLAXQF-RTBURBONSA-N	1	0	367.453	1.408	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087029570	953121085	/nfs/dbraw/zinc/12/10/85/953121085.db2.gz	ZJYJMMCQQDDXMG-SJLPKXTDSA-N	1	0	353.426	1.548	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1nc2ccccc2n1C	ZINC001087035488	953145010	/nfs/dbraw/zinc/14/50/10/953145010.db2.gz	BYKAMJVFJXVULC-HDMKZQKVSA-N	1	0	369.469	1.686	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1nnc(C(C)C)s1	ZINC001087035953	953146374	/nfs/dbraw/zinc/14/63/74/953146374.db2.gz	SEKSVZPASGUTGK-BFHYXJOUSA-N	1	0	365.503	1.774	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1ncc(CC)o1	ZINC001087040278	953157180	/nfs/dbraw/zinc/15/71/80/953157180.db2.gz	ZVKLDIUTDFRYQG-RHSMWYFYSA-N	1	0	371.441	1.704	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1c(C)noc1CC	ZINC001087053097	953184865	/nfs/dbraw/zinc/18/48/65/953184865.db2.gz	YWSKHUHIEFVCFN-VQIMIIECSA-N	1	0	359.470	1.912	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+][C@@H](C)c1ncccn1	ZINC001087046087	953193431	/nfs/dbraw/zinc/19/34/31/953193431.db2.gz	JLTOADHSEOQFBE-JJRVBVJISA-N	1	0	368.441	1.504	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+][C@H](C)c3nnc(C)[nH]3)[C@H](OCC)C2)C1	ZINC001087082205	953240703	/nfs/dbraw/zinc/24/07/03/953240703.db2.gz	BAIUIHLEDZVMLJ-FVQBIDKESA-N	1	0	361.490	1.984	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3conc3C)[C@H](OCC)C2)c1	ZINC001087082303	953240812	/nfs/dbraw/zinc/24/08/12/953240812.db2.gz	FTFFBYFUTOTHMU-IEBWSBKVSA-N	1	0	368.437	1.626	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cc(C)on2)[C@H](OCC)C1	ZINC001087085664	953247124	/nfs/dbraw/zinc/24/71/24/953247124.db2.gz	QTTIPESKGQCTIO-NRSFXHEJSA-N	1	0	363.458	1.527	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccncn2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087092319	953256805	/nfs/dbraw/zinc/25/68/05/953256805.db2.gz	GQADMBYJKQRCMQ-IEBWSBKVSA-N	1	0	365.437	1.615	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]Cc2ccon2)[C@H](OCC)C1	ZINC001087099020	953268866	/nfs/dbraw/zinc/26/88/66/953268866.db2.gz	ZOXBYGYDEIXJKU-UYAOXDASSA-N	1	0	367.449	1.852	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)CCN1c1ccc(C#N)cn1	ZINC001091784741	953301856	/nfs/dbraw/zinc/30/18/56/953301856.db2.gz	RDBWPALQEKGPNV-BPQIPLTHSA-N	1	0	371.485	1.395	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CCN1c1cnc(C#N)cn1	ZINC001091785693	953303180	/nfs/dbraw/zinc/30/31/80/953303180.db2.gz	ABMTYUMIBJMPNQ-SCTDSRPQSA-N	1	0	370.501	1.942	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@H]3CCC(=O)NC3)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001091809315	953341740	/nfs/dbraw/zinc/34/17/40/953341740.db2.gz	BCXCIHJKWRNAQF-KNKQGSTJSA-N	1	0	365.477	1.345	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1C[C@H]2CCN(c3ccc(C#N)cn3)C[C@H]2C1	ZINC001091859448	953581130	/nfs/dbraw/zinc/58/11/30/953581130.db2.gz	HOVNLOVZEDDBEB-MSOLQXFVSA-N	1	0	355.486	1.970	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CCN(c3nc(C)cc(C#N)n3)C[C@H]2C1	ZINC001091865586	953610936	/nfs/dbraw/zinc/61/09/36/953610936.db2.gz	NFNXBOGHAUATMG-CVEARBPZSA-N	1	0	370.501	1.672	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC(=O)Nc4ccccc43)C[C@]2(C)C1	ZINC001091898948	953739256	/nfs/dbraw/zinc/73/92/56/953739256.db2.gz	ZWGWQWTZUNAFHF-CEQIKUNHSA-N	1	0	351.450	1.916	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)CCCC[NH+]2CCCC2)CCN1c1ccnc(C#N)n1	ZINC001091988627	953888694	/nfs/dbraw/zinc/88/86/94/953888694.db2.gz	SPFFULLTNGMYQT-CVEARBPZSA-N	1	0	356.474	1.698	20	30		FDEDRO
Cc1cc(N2CC[C@H](NC(=O)COC3CC[NH+](C)CC3)[C@H]2C)c(C#N)cn1	ZINC001092000626	953927084	/nfs/dbraw/zinc/92/70/84/953927084.db2.gz	GKOGCZPRUUIHDO-QAPCUYQASA-N	1	0	371.485	1.456	20	30		FDEDRO
Cn1cc(C(=O)N2C[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@@]3(C)C2)[nH]c1=O	ZINC001091978891	953974059	/nfs/dbraw/zinc/97/40/59/953974059.db2.gz	JXPRJMAQDOPEPY-UTKZUKDTSA-N	1	0	364.449	1.571	20	30		FDEDRO
Cc1cc(C#N)nc(N2CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]3CCCC3)[C@H]2C)n1	ZINC001091979816	953977677	/nfs/dbraw/zinc/97/76/77/953977677.db2.gz	TWRZGULFHHNRQU-BPQIPLTHSA-N	1	0	370.501	1.861	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cccn(CC(C)C)c3=O)C[C@]2(C)C1	ZINC001092074157	954214797	/nfs/dbraw/zinc/21/47/97/954214797.db2.gz	PFYVTOVCIPOBQR-UTKZUKDTSA-N	1	0	355.482	1.922	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@H]3C[N@@H+](Cc4ccnn4C)C[C@@]3(C)C2)nn1	ZINC001092085717	954237568	/nfs/dbraw/zinc/23/75/68/954237568.db2.gz	XRAKYQXNXVYFFR-BEFAXECRSA-N	1	0	369.473	1.182	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3c[nH]nc3-c3cnn(C)c3)C[C@]2(C)C1	ZINC001092189537	954492250	/nfs/dbraw/zinc/49/22/50/954492250.db2.gz	FSFLDJLPZCCVSB-BEFAXECRSA-N	1	0	354.458	1.780	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@]2(C)C1	ZINC001092210395	954615526	/nfs/dbraw/zinc/61/55/26/954615526.db2.gz	LRTGRSCEWGVLSR-FVJLSDCUSA-N	1	0	369.465	1.524	20	30		FDEDRO
C=C(Br)CN1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1	ZINC001092272538	954653185	/nfs/dbraw/zinc/65/31/85/954653185.db2.gz	FNJATSAFHWFEDH-LZWOXQAQSA-N	1	0	356.308	1.627	20	30		FDEDRO
Cc1nsc(N2C[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@]3(C)C2)c1C#N	ZINC001092305306	954768860	/nfs/dbraw/zinc/76/88/60/954768860.db2.gz	KYPOLAHVBKUIBY-KBXCAEBGSA-N	1	0	361.515	1.950	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N1C[C@H]2CN(c3cncc(C#N)n3)C[C@@]2(C)C1	ZINC001092293524	954900120	/nfs/dbraw/zinc/90/01/20/954900120.db2.gz	LOKGDHYALGYIQT-BEFAXECRSA-N	1	0	356.474	1.365	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H](CNC(=O)C[C@H]3CC[N@H+](C)C3)[C@H](C)C2)n1	ZINC001092384964	954983612	/nfs/dbraw/zinc/98/36/12/954983612.db2.gz	OWUZOIPXRBFZBY-BZUAXINKSA-N	1	0	370.501	1.441	20	30		FDEDRO
CC(C)[C@@H](C(=O)NC[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1C)[NH+](C)C	ZINC001092389093	954988891	/nfs/dbraw/zinc/98/88/91/954988891.db2.gz	DPAWTNXICKSIAI-UNEWFSDZSA-N	1	0	361.465	1.867	20	30		FDEDRO
C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1OCCO[C@H]1C)c1nccn12	ZINC001092376002	955051398	/nfs/dbraw/zinc/05/13/98/955051398.db2.gz	NKBPIQAYCZMXEU-XHSDSOJGSA-N	1	0	360.458	1.225	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)C1=COCCO1	ZINC001092444958	955117496	/nfs/dbraw/zinc/11/74/96/955117496.db2.gz	ZUHSPRHMXQYXAX-CZUORRHYSA-N	1	0	359.401	1.770	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1CNC(=O)C[N@@H+]1CCC(C)(C)C1	ZINC001092446459	955123487	/nfs/dbraw/zinc/12/34/87/955123487.db2.gz	YGGUMZKEUCXGFK-NVXWUHKLSA-N	1	0	355.486	1.874	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3CCCO3)[C@H](C)C2)cc1C#N	ZINC001092448916	955133289	/nfs/dbraw/zinc/13/32/89/955133289.db2.gz	IZSVMHSQQGJHRY-BJZITVGISA-N	1	0	357.454	1.930	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1	ZINC001092408509	955134855	/nfs/dbraw/zinc/13/48/55/955134855.db2.gz	QYDTZKVILUXJOT-HZPDHXFCSA-N	1	0	370.501	1.801	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@@H](CNC(=O)C3([NH+](C)C)CCC3)[C@H](C)C2)n1	ZINC001092414875	955144322	/nfs/dbraw/zinc/14/43/22/955144322.db2.gz	BUXQTTYKHCXCNU-RHSMWYFYSA-N	1	0	355.486	1.935	20	30		FDEDRO
Cc1nc(N2C[C@@H](CNC(=O)C3([NH+](C)C)CCC3)[C@H](C)C2)ccc1C#N	ZINC001092415254	955145680	/nfs/dbraw/zinc/14/56/80/955145680.db2.gz	ODSRLQSFNGCILR-RHSMWYFYSA-N	1	0	355.486	1.935	20	30		FDEDRO
Cc1nc(N2C[C@@H](CNC(=O)[C@@H](C3CC3)[NH+](C)C)[C@H](C)C2)ccc1C#N	ZINC001092415718	955147330	/nfs/dbraw/zinc/14/73/30/955147330.db2.gz	CEOWPVMNDVXACF-OMWUSAIZSA-N	1	0	355.486	1.790	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C	ZINC001092416152	955148548	/nfs/dbraw/zinc/14/85/48/955148548.db2.gz	UFABAHWMRIJETQ-JFIYKMOQSA-N	1	0	370.501	1.800	20	30		FDEDRO
Cc1nsc(N2C[C@@H](CNC(=O)C[N@H+](C)C3CCC3)[C@H](C)C2)c1C#N	ZINC001092457068	955172494	/nfs/dbraw/zinc/17/24/94/955172494.db2.gz	UOPZBGSIDQNBSJ-TZMCWYRMSA-N	1	0	361.515	1.996	20	30		FDEDRO
C[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1CCNC(=O)[C@H]1CCC[N@@H+]1C	ZINC001092484392	955240471	/nfs/dbraw/zinc/24/04/71/955240471.db2.gz	MSFRLZMNAAGURA-FRFSOERESA-N	1	0	359.449	1.765	20	30		FDEDRO
C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)[C@H](C)C1	ZINC001092528133	955338401	/nfs/dbraw/zinc/33/84/01/955338401.db2.gz	WWRMNBMHQDHFDT-BFYDXBDKSA-N	1	0	371.485	1.585	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC001092551019	955400788	/nfs/dbraw/zinc/40/07/88/955400788.db2.gz	DEWIUXCKBBMSCR-RHSMWYFYSA-N	1	0	352.438	1.877	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@H]1COCCN1C	ZINC001092555300	955428419	/nfs/dbraw/zinc/42/84/19/955428419.db2.gz	PLWAPMKEYBRAAO-ATZDWAIDSA-N	1	0	356.470	1.073	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@H]1COCCN1C	ZINC001092556128	955432805	/nfs/dbraw/zinc/43/28/05/955432805.db2.gz	YZDRYCHZWFLWMR-ATZDWAIDSA-N	1	0	356.470	1.073	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)c1cnn(C)c1N	ZINC001092558394	955443445	/nfs/dbraw/zinc/44/34/45/955443445.db2.gz	NWDAHFIOIFRASV-IUODEOHRSA-N	1	0	370.432	1.511	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)NCC[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C	ZINC001092559160	955448447	/nfs/dbraw/zinc/44/84/47/955448447.db2.gz	WXSIRJHLIBSOOP-HUUCEWRRSA-N	1	0	358.490	1.657	20	30		FDEDRO
C[C@@H]1CN(c2ncccc2C#N)C[C@H]1CCNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001092532035	955495484	/nfs/dbraw/zinc/49/54/84/955495484.db2.gz	ZEHMRMJOQKXEMO-SOLBZPMBSA-N	1	0	355.486	1.874	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)NCC[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C	ZINC001092533157	955501696	/nfs/dbraw/zinc/50/16/96/955501696.db2.gz	HRVRLJBDZBUSAZ-HZPDHXFCSA-N	1	0	358.490	1.659	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3ccccn3)no2)C1	ZINC001197181204	972109932	/nfs/dbraw/zinc/10/99/32/972109932.db2.gz	GOJNYPOSURHNGE-KBRIMQKVSA-N	1	0	356.426	1.866	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3c(C)ccn3C)[C@H](C)C2)C1=O	ZINC001092570569	955674900	/nfs/dbraw/zinc/67/49/00/955674900.db2.gz	NDWURKHVOLJYCU-BRWVUGGUSA-N	1	0	358.486	1.418	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)c1ncn(C)n1	ZINC001092583749	955728681	/nfs/dbraw/zinc/72/86/81/955728681.db2.gz	PHIHDQFMCQJRMF-GDBMZVCRSA-N	1	0	355.417	1.304	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@H]1C	ZINC001092617541	955831477	/nfs/dbraw/zinc/83/14/77/955831477.db2.gz	WQGSNHDYDAKQLD-MYZZLAAOSA-N	1	0	358.486	1.950	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](CNc2ccncc2C#N)[C@H](C)C1	ZINC001092662646	955940545	/nfs/dbraw/zinc/94/05/45/955940545.db2.gz	VOYIPIOVOVJMPL-OIISXLGYSA-N	1	0	361.465	1.561	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3[nH]ccc3C3CC3)[C@H](C)C2)C1=O	ZINC001092669046	955962703	/nfs/dbraw/zinc/96/27/03/955962703.db2.gz	XVJIVSNARWJAFW-QGPMSJSTSA-N	1	0	370.497	1.977	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1C	ZINC001092676969	955992401	/nfs/dbraw/zinc/99/24/01/955992401.db2.gz	RQERTHRIEBRMNO-IAGOWNOFSA-N	1	0	358.486	1.594	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)c1cc2n(n1)CCO2	ZINC001092683129	956018950	/nfs/dbraw/zinc/01/89/50/956018950.db2.gz	ZLYVKMFLFBARNR-RHSMWYFYSA-N	1	0	365.437	1.645	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)c1cc(=O)n(C)cn1	ZINC001092693449	956052207	/nfs/dbraw/zinc/05/22/07/956052207.db2.gz	SIVWBVDSCUOCLM-CHWSQXEVSA-N	1	0	371.466	1.211	20	30		FDEDRO
N#Cc1cccnc1N1CC[C@@]2(CNC(=O)C[NH+]3CCCC3)CCC[C@@H]12	ZINC001092697861	956070395	/nfs/dbraw/zinc/07/03/95/956070395.db2.gz	HZAJIXPHMJMYQH-YLJYHZDGSA-N	1	0	353.470	1.914	20	30		FDEDRO
C[NH+](C)CCOCC(=O)NC[C@]12CCC[C@H]1N(c1ccc(C#N)cn1)CC2	ZINC001092701067	956092850	/nfs/dbraw/zinc/09/28/50/956092850.db2.gz	RQRGBWCPPCAWKN-YLJYHZDGSA-N	1	0	371.485	1.397	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)NC[C@]23CCC[C@H]2N(c2ccc(C#N)nn2)CC3)C1	ZINC001092702225	956097599	/nfs/dbraw/zinc/09/75/99/956097599.db2.gz	YOGZWCNGMZRHCA-WRWLIDTKSA-N	1	0	368.485	1.555	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@H]1CCCC(=O)N1	ZINC001092707096	956128962	/nfs/dbraw/zinc/12/89/62/956128962.db2.gz	PADWRKAXSRWEMW-ZTFGCOKTSA-N	1	0	354.454	1.411	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1N(c1cncc(C#N)n1)CC2	ZINC001092708978	956136411	/nfs/dbraw/zinc/13/64/11/956136411.db2.gz	LTRGLPAGTIBQRF-OXQOHEQNSA-N	1	0	370.501	1.944	20	30		FDEDRO
C[NH+](C)CC1(C(=O)NC[C@]23CCC[C@H]2N(c2cnc(C#N)cn2)CC3)CC1	ZINC001092709706	956137788	/nfs/dbraw/zinc/13/77/88/956137788.db2.gz	CLHYTIFIFZIJMU-VQIMIIECSA-N	1	0	368.485	1.555	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)c1cnc[nH]c1=O	ZINC001092711530	956145923	/nfs/dbraw/zinc/14/59/23/956145923.db2.gz	YRKPXOUWBMZION-CZUORRHYSA-N	1	0	351.410	1.552	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(F)cn2)C[C@H]1C	ZINC001092688928	956194838	/nfs/dbraw/zinc/19/48/38/956194838.db2.gz	FXSZFVJXNPYBJR-MDZRGWNJSA-N	1	0	358.461	1.502	20	30		FDEDRO
C=CCOc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2C)cc1	ZINC001092740485	956236591	/nfs/dbraw/zinc/23/65/91/956236591.db2.gz	OFZAQFKYQIGYDK-SJLPKXTDSA-N	1	0	371.481	1.781	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)c1ccc(=O)n(C)c1	ZINC001092768895	956390412	/nfs/dbraw/zinc/39/04/12/956390412.db2.gz	RLTXYJCCRSXFKM-DNVCBOLYSA-N	1	0	364.449	1.755	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)[C@H](C)C1	ZINC001092774928	956406603	/nfs/dbraw/zinc/40/66/03/956406603.db2.gz	ZQLPZWOYLWTLFJ-CHWSQXEVSA-N	1	0	355.460	1.191	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CN(c3ccc(C#N)nc3)CCO2)CC[N@@H+]1C	ZINC001092776816	956414345	/nfs/dbraw/zinc/41/43/45/956414345.db2.gz	BXQDNVGCQSBYRR-BJZITVGISA-N	1	0	357.458	1.005	20	30		FDEDRO
COc1nn(C)cc1C(=O)NC[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C	ZINC001092882277	956648914	/nfs/dbraw/zinc/64/89/14/956648914.db2.gz	UBFOZNBZUTUBRP-SJLPKXTDSA-N	1	0	366.465	1.778	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)c1c[nH]c(=O)n1C	ZINC001092886230	956670581	/nfs/dbraw/zinc/67/05/81/956670581.db2.gz	ONTHUHSGQBGGOB-NVXWUHKLSA-N	1	0	352.438	1.475	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@H]1CCNC(=O)CC1	ZINC001092855685	956701354	/nfs/dbraw/zinc/70/13/54/956701354.db2.gz	RGBIKJOWHAJLIW-ATZDWAIDSA-N	1	0	368.481	1.659	20	30		FDEDRO
CCc1nc(C#N)cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCC[NH+](C)C)C3)n1	ZINC001092861853	956723375	/nfs/dbraw/zinc/72/33/75/956723375.db2.gz	ASCITCXNLVQJRP-IKGGRYGDSA-N	1	0	370.501	1.868	20	30		FDEDRO
CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1)[NH+](CC)CC	ZINC001092910476	956751168	/nfs/dbraw/zinc/75/11/68/956751168.db2.gz	HCBPBOBBNAKIMR-TWMKSMIVSA-N	1	0	356.474	1.695	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21	ZINC001092898206	956829516	/nfs/dbraw/zinc/82/95/16/956829516.db2.gz	YYAUKEOWBOHPIR-FZWVUDROSA-N	1	0	357.429	1.774	20	30		FDEDRO
C[NH+](C)C1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)nn2)CCCC1	ZINC001092898380	956831344	/nfs/dbraw/zinc/83/13/44/956831344.db2.gz	GRFKRCAVXWHRHJ-IKGGRYGDSA-N	1	0	368.485	1.839	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@H]1CCCCC(=O)N1	ZINC001092959316	956909858	/nfs/dbraw/zinc/90/98/58/956909858.db2.gz	GAUGDSUAMSHOLF-ATZDWAIDSA-N	1	0	368.481	1.801	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)c1cn(C)c(=O)[nH]1	ZINC001092937109	956959235	/nfs/dbraw/zinc/95/92/35/956959235.db2.gz	OQHHFTJDJLJNGF-IUODEOHRSA-N	1	0	371.416	1.634	20	30		FDEDRO
CCc1nc(C#N)cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+](CC)CC)C3)n1	ZINC001092980814	956984709	/nfs/dbraw/zinc/98/47/09/956984709.db2.gz	PUXIBQFBSDLNOI-OAGGEKHMSA-N	1	0	356.474	1.478	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1)[NH+]1CCCC1	ZINC001092982589	956989205	/nfs/dbraw/zinc/98/92/05/956989205.db2.gz	ZGVVJZMVBGUOEW-OAFZBRQQSA-N	1	0	368.485	1.695	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C	ZINC001092966052	957003317	/nfs/dbraw/zinc/00/33/17/957003317.db2.gz	PORKAESHZAPGLF-DQEVTTJGSA-N	1	0	368.481	1.467	20	30		FDEDRO
CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1)C(C)C	ZINC001092999368	957100083	/nfs/dbraw/zinc/10/00/83/957100083.db2.gz	LPMNOUJSLOKGAB-VXIBKDFQSA-N	1	0	370.501	1.941	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1	ZINC001093018929	957144856	/nfs/dbraw/zinc/14/48/56/957144856.db2.gz	PEKWIVCKZNEMDZ-QXSJWSMHSA-N	1	0	360.437	1.254	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](CCO[C@@H]3CC3(F)F)C[C@H]2C)nn1	ZINC001093034854	957251564	/nfs/dbraw/zinc/25/15/64/957251564.db2.gz	DZFDEHDVJGKKRQ-UMVBOHGHSA-N	1	0	369.416	1.186	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3cnc(C)o3)C[C@H]2C)nn1	ZINC001093040080	957264575	/nfs/dbraw/zinc/26/45/75/957264575.db2.gz	HNMVGSGSMWSXPF-UKRRQHHQSA-N	1	0	358.446	1.649	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H]3CCC[C@]3(NC(=O)CCC[NH+](C)C)C2)n1	ZINC001093101269	957418904	/nfs/dbraw/zinc/41/89/04/957418904.db2.gz	ISNYMMYJTQYLCN-KXBFYZLASA-N	1	0	356.474	1.474	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@]12CCC[C@H]1CN(c1cnc(C#N)cn1)C2	ZINC001093108684	957543313	/nfs/dbraw/zinc/54/33/13/957543313.db2.gz	SHCLIXADCDLKRZ-VPWXQRGCSA-N	1	0	368.485	1.698	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]2C)cn1	ZINC001093139779	957634628	/nfs/dbraw/zinc/63/46/28/957634628.db2.gz	UDRDGQYBQODSKI-SJLPKXTDSA-N	1	0	368.481	1.373	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2nc3nc(C)cc(C)n3n2)[C@H](C)C1	ZINC001093176848	957682076	/nfs/dbraw/zinc/68/20/76/957682076.db2.gz	YKYZRCIGEJQCJD-QMTHXVAHSA-N	1	0	362.865	1.791	20	30		FDEDRO
CC(=O)N1CC[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2C)C1	ZINC001093164179	957714774	/nfs/dbraw/zinc/71/47/74/957714774.db2.gz	UGEXUUJQMISDMJ-CDHQVMDDSA-N	1	0	368.481	1.611	20	30		FDEDRO
CCN1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2C)C1	ZINC001093212217	957763598	/nfs/dbraw/zinc/76/35/98/957763598.db2.gz	KRBVTWAHNKTBOH-NRSPTQNISA-N	1	0	369.509	1.443	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3cccc(C)n3)C[C@H]2C)C1=O	ZINC001093272207	957940156	/nfs/dbraw/zinc/94/01/56/957940156.db2.gz	PFBMEWINLDBTGN-NXHRZFHOSA-N	1	0	370.497	1.865	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3[nH]ccc3C)C[C@H]2C)C1=O	ZINC001093273764	957942976	/nfs/dbraw/zinc/94/29/76/957942976.db2.gz	GCDJTUUYNJHUPH-ZACQAIPSSA-N	1	0	358.486	1.798	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3ccsn3)C[C@H]2C)C1=O	ZINC001093278927	957951017	/nfs/dbraw/zinc/95/10/17/957951017.db2.gz	FSRJHFQNEQRSKE-RBSFLKMASA-N	1	0	362.499	1.618	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCNC2=O)C1	ZINC001093282413	957962614	/nfs/dbraw/zinc/96/26/14/957962614.db2.gz	YBZOYIUHGBVOLF-JFIYKMOQSA-N	1	0	371.481	1.828	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H]3CCN(CC)C3=O)C2)c1	ZINC001093284292	957964728	/nfs/dbraw/zinc/96/47/28/957964728.db2.gz	FVBFOJDQTMQXOB-SZVBFZGTSA-N	1	0	368.481	1.372	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCN(C)C2=O)C1	ZINC001093288298	957977355	/nfs/dbraw/zinc/97/73/55/957977355.db2.gz	KGHXIWCKPFTOTF-NSISKUIASA-N	1	0	367.493	1.515	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3c[nH]cc3C)C[C@H]2C)C1=O	ZINC001093290872	957985182	/nfs/dbraw/zinc/98/51/82/957985182.db2.gz	BYKQILZERPVXOB-NUJGCVRESA-N	1	0	358.486	1.798	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc[n+]([O-])cc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093426056	958040137	/nfs/dbraw/zinc/04/01/37/958040137.db2.gz	AXHVTQZLRIQZHK-MLYOOKFZSA-N	1	0	359.470	1.476	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3OCCCO3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093444121	958087302	/nfs/dbraw/zinc/08/73/02/958087302.db2.gz	ZSCFYYXDKZSWMT-SMOSDQRPSA-N	1	0	366.502	1.682	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(C4CCC4)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093446071	958094197	/nfs/dbraw/zinc/09/41/97/958094197.db2.gz	FJQUVHHLFGYFOX-XCJLJZCSSA-N	1	0	370.497	1.821	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(c4ccccn4)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093447273	958099340	/nfs/dbraw/zinc/09/93/40/958099340.db2.gz	UJWYJSACZSTBJW-ZJSJBZJDSA-N	1	0	367.493	1.713	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc4n(n3)CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093448388	958107872	/nfs/dbraw/zinc/10/78/72/958107872.db2.gz	IMUUXGZELQVREB-XSYGEPLQSA-N	1	0	358.486	1.595	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nc(C)sc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093448718	958110165	/nfs/dbraw/zinc/11/01/65/958110165.db2.gz	BTOSSNRTNWZNRP-LFEHRJTNSA-N	1	0	361.511	1.973	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnn3C(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093449177	958113732	/nfs/dbraw/zinc/11/37/32/958113732.db2.gz	NKSFGRZPTZAKTQ-DLVXIWMQSA-N	1	0	358.486	1.677	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc4occc4[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093449788	958117719	/nfs/dbraw/zinc/11/77/19/958117719.db2.gz	QLABDQFHDPXMSB-CIWUYKSXSA-N	1	0	355.438	1.974	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cnccc3OC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093451702	958134436	/nfs/dbraw/zinc/13/44/36/958134436.db2.gz	XAUWEKFNAQOMBT-DEPWHIHDSA-N	1	0	371.481	1.232	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)ncn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093451746	958135656	/nfs/dbraw/zinc/13/56/56/958135656.db2.gz	XLIDBGXCFNMJNU-CIWUYKSXSA-N	1	0	360.502	1.884	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(CCF)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093452100	958138110	/nfs/dbraw/zinc/13/81/10/958138110.db2.gz	CRBFEQAGAAZOPQ-VXNCWWDNSA-N	1	0	362.449	1.066	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3n[nH]nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093459422	958182611	/nfs/dbraw/zinc/18/26/11/958182611.db2.gz	KMRPCKZNLDRINZ-GKLJAUDBSA-N	1	0	367.881	1.445	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3n[nH]c4c3CCCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093459825	958184882	/nfs/dbraw/zinc/18/48/82/958184882.db2.gz	WFXHCHYOOSSQAK-REHHDOPLSA-N	1	0	370.497	1.501	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn[nH]n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093460039	958185845	/nfs/dbraw/zinc/18/58/45/958185845.db2.gz	XPPPTZNTGUESMB-UYHMYPTGSA-N	1	0	353.854	1.137	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@H]1C(C)C	ZINC001093459997	958186231	/nfs/dbraw/zinc/18/62/31/958186231.db2.gz	OUCYUYRMJZTCFF-NPNMTCQASA-N	1	0	351.491	1.040	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C3)[C@@H]2C(C)C)CC1	ZINC001093461241	958192563	/nfs/dbraw/zinc/19/25/63/958192563.db2.gz	GTQIZKZXZAJOKE-ZTRFORPCSA-N	1	0	363.502	1.184	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ncccc3F)[C@H]2C(C)C)C[C@H]1O	ZINC001093461473	958193904	/nfs/dbraw/zinc/19/39/04/958193904.db2.gz	JGMIUAGFAOQRRA-IZBJGVDFSA-N	1	0	359.445	1.363	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(CCC)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093464159	958198154	/nfs/dbraw/zinc/19/81/54/958198154.db2.gz	ALRPOUDPDFHUEC-FTEYMNFISA-N	1	0	358.486	1.506	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3noc4c3CCCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093464621	958200474	/nfs/dbraw/zinc/20/04/74/958200474.db2.gz	CRKHHTQWWUOUOQ-NVEXJGOOSA-N	1	0	371.481	1.766	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3nccc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093465705	958205477	/nfs/dbraw/zinc/20/54/77/958205477.db2.gz	JEMCUPMGTHEXMV-IZBJGVDFSA-N	1	0	360.502	1.734	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C)[nH]c3=O)[C@H]2C(C)C)C[C@H]1O	ZINC001093465829	958206233	/nfs/dbraw/zinc/20/62/33/958206233.db2.gz	JUCGOBXGZWLDAX-PDOICOKGSA-N	1	0	359.470	1.861	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C)nc3OC)[C@H]2C(C)C)C[C@H]1O	ZINC001093468007	958216832	/nfs/dbraw/zinc/21/68/32/958216832.db2.gz	WYLHKKBWBWXHRW-DCXXXQMHSA-N	1	0	371.481	1.612	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C)nc3OC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093468008	958217548	/nfs/dbraw/zinc/21/75/48/958217548.db2.gz	WYLHKKBWBWXHRW-IKVWTGGYSA-N	1	0	371.481	1.612	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(C)CCOCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093468605	958219904	/nfs/dbraw/zinc/21/99/04/958219904.db2.gz	AEXRUVOYZIZSIP-PDOICOKGSA-N	1	0	350.503	1.955	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@H]1C(C)C	ZINC001093471429	958234226	/nfs/dbraw/zinc/23/42/26/958234226.db2.gz	DIXYVQWEMYIIBS-UGESXGAOSA-N	1	0	370.493	1.169	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3sccc3OC)[C@H]2C(C)C)C[C@H]1O	ZINC001093473011	958242715	/nfs/dbraw/zinc/24/27/15/958242715.db2.gz	OCYXKQWVEXLERM-XNWVLMOPSA-N	1	0	362.495	1.970	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn4c3CCCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093474298	958247554	/nfs/dbraw/zinc/24/75/54/958247554.db2.gz	UQZWAHXBVNCWOX-RDPOXOKHSA-N	1	0	370.497	1.432	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccn(C)c3=O)[C@H]2C(C)C)C[C@H]1O	ZINC001093475539	958252179	/nfs/dbraw/zinc/25/21/79/958252179.db2.gz	YFZUQIVMKFKZOA-WWNBULGVSA-N	1	0	359.470	1.151	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cc(C4CC4)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452665	958259250	/nfs/dbraw/zinc/25/92/50/958259250.db2.gz	MCFXOPYQZVYBNB-VURPSTOHSA-N	1	0	370.497	1.360	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3coc(OCC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093453019	958260080	/nfs/dbraw/zinc/26/00/80/958260080.db2.gz	SCTBGJNUJNLRLA-NVQRDWNXSA-N	1	0	363.458	1.839	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3ccnc(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093456514	958277397	/nfs/dbraw/zinc/27/73/97/958277397.db2.gz	FCKAZIWGMARALC-RMVXJAJNSA-N	1	0	370.497	1.317	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C)ccc3=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001093457348	958279686	/nfs/dbraw/zinc/27/96/86/958279686.db2.gz	IYIVRCFYDJMFHH-DLVXIWMQSA-N	1	0	359.470	1.151	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccccc3F)[C@H]2C(C)C)C[C@H]1O	ZINC001093477926	958291418	/nfs/dbraw/zinc/29/14/18/958291418.db2.gz	NWUPUUCCFIZQSV-QCFAMHMHSA-N	1	0	358.457	1.968	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH]c4ncccc34)[C@@H]2C(C)C)C[C@H]1O	ZINC001093479531	958299792	/nfs/dbraw/zinc/29/97/92/958299792.db2.gz	VAEJTXLVAJDPOM-IKVWTGGYSA-N	1	0	366.465	1.776	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3ccnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093480876	958304955	/nfs/dbraw/zinc/30/49/55/958304955.db2.gz	PPSMOJINWSHTEM-IZBJGVDFSA-N	1	0	360.502	1.734	20	30		FDEDRO
C#CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1	ZINC001093487989	958310049	/nfs/dbraw/zinc/31/00/49/958310049.db2.gz	YZWZRDAUGGJNTC-JBINPLMMSA-N	1	0	371.525	1.574	20	30		FDEDRO
C=C(C)CC[NH+]1CC(OC2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1	ZINC001093543179	958323143	/nfs/dbraw/zinc/32/31/43/958323143.db2.gz	JZDYSCDMEHTHSW-YJBOKZPZSA-N	1	0	352.475	1.448	20	30		FDEDRO
C#C[C@@H](NC(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1)[C@H]1CCCO1	ZINC000773198527	958337198	/nfs/dbraw/zinc/33/71/98/958337198.db2.gz	GMXRVYQVDYGJOZ-QZTJIDSGSA-N	1	0	371.485	1.204	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001093630017	958388537	/nfs/dbraw/zinc/38/85/37/958388537.db2.gz	AINRQJJVVCLDIQ-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3cc[nH]n3)C[C@H]2C)cc1C#N	ZINC001093647863	958425593	/nfs/dbraw/zinc/42/55/93/958425593.db2.gz	JIZPYOQGSRDNNF-CZUORRHYSA-N	1	0	353.426	1.788	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2cc3ccccc3o2)C1	ZINC001197637713	972349937	/nfs/dbraw/zinc/34/99/37/972349937.db2.gz	YFLRXCFMHFFUIO-DJIMGWMZSA-N	1	0	358.438	1.900	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093680384	958482341	/nfs/dbraw/zinc/48/23/41/958482341.db2.gz	CKPKGVZIVLZRFZ-VXGBXAGGSA-N	1	0	356.455	1.490	20	30		FDEDRO
C#C[C@H]([NH2+][C@@H](C)C(=O)NCCc1ccc2c(c1)OCCO2)[C@@H]1CCCO1	ZINC000775783962	972353362	/nfs/dbraw/zinc/35/33/62/972353362.db2.gz	FXYNWRDWVCVMSW-XIRDDKMYSA-N	1	0	358.438	1.275	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2nncn2-c2ccccc2)[C@H](C)C1	ZINC001093677761	958530487	/nfs/dbraw/zinc/53/04/87/958530487.db2.gz	DBIRKYCMJFLBPP-BZUAXINKSA-N	1	0	352.442	1.611	20	30		FDEDRO
C#C[C@H](NC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)[C@H]1CCCO1	ZINC000773209139	958551302	/nfs/dbraw/zinc/55/13/02/958551302.db2.gz	HPIMRUVQTWKAPC-VQTJNVASSA-N	1	0	370.497	1.414	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1nc(C2CC2)no1	ZINC001093700112	958568841	/nfs/dbraw/zinc/56/88/41/958568841.db2.gz	ZKWYFURJEBRCJZ-BXUZGUMPSA-N	1	0	354.414	1.645	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1nc(C(F)F)no1	ZINC001093725975	958610694	/nfs/dbraw/zinc/61/06/94/958610694.db2.gz	LSZYEBUNNSDTRD-MWLCHTKSSA-N	1	0	364.356	1.705	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1ncc(Cl)n1C	ZINC001093726193	958612582	/nfs/dbraw/zinc/61/25/82/958612582.db2.gz	RSNKEYHDRQQFLK-DGCLKSJQSA-N	1	0	360.849	1.771	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cncnc2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001093731424	958628898	/nfs/dbraw/zinc/62/88/98/958628898.db2.gz	NNUGYMXXSMSGFA-CXAGYDPISA-N	1	0	353.401	1.985	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093741337	958660665	/nfs/dbraw/zinc/66/06/65/958660665.db2.gz	SCINFKKFEYPHJN-ZIAGYGMSSA-N	1	0	357.483	1.780	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001093753520	958681880	/nfs/dbraw/zinc/68/18/80/958681880.db2.gz	ZKPPLWYWOMWXNA-IUODEOHRSA-N	1	0	356.405	1.324	20	30		FDEDRO
CCn1ncc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)cc3F)[C@H](C)C2)n1	ZINC001093756373	958689237	/nfs/dbraw/zinc/68/92/37/958689237.db2.gz	OJDDHLHRKIMFCO-CZUORRHYSA-N	1	0	370.432	1.807	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1cn(-c2ccccc2)nn1	ZINC001093762123	958700309	/nfs/dbraw/zinc/70/03/09/958700309.db2.gz	QKQFJWCTRZFODP-SJLPKXTDSA-N	1	0	363.465	1.865	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2CCC)[C@H](C)C1	ZINC001093825295	958904401	/nfs/dbraw/zinc/90/44/01/958904401.db2.gz	BTPBYHSLMPPWKV-HZPDHXFCSA-N	1	0	371.489	1.569	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C3CC3)o2)[C@H](C)C1	ZINC001093830830	958922244	/nfs/dbraw/zinc/92/22/44/958922244.db2.gz	UHTZPSKCTFRPAV-OIISXLGYSA-N	1	0	371.485	1.229	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cccc(OC)c2)[C@H](C)C1	ZINC001093832856	958925671	/nfs/dbraw/zinc/92/56/71/958925671.db2.gz	CZOQLGAADFTLNJ-QFUCXCTJSA-N	1	0	369.509	1.977	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093857417	959015969	/nfs/dbraw/zinc/01/59/69/959015969.db2.gz	DVFWZUKWQKMWOI-XNFNUYLZSA-N	1	0	370.497	1.461	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1C	ZINC001093884565	959122740	/nfs/dbraw/zinc/12/27/40/959122740.db2.gz	OEHTVRNECVQHEX-IUODEOHRSA-N	1	0	354.414	1.183	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc4nonc4c3)C[C@H]21	ZINC000962027064	1013187111	/nfs/dbraw/zinc/18/71/11/1013187111.db2.gz	ZJOWYOXQXHRVKH-JCEKIRTPSA-N	1	0	368.437	1.750	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093905461	959289128	/nfs/dbraw/zinc/28/91/28/959289128.db2.gz	HNTAEFJTSDCBPN-CZUORRHYSA-N	1	0	366.421	1.748	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000119126831	972414752	/nfs/dbraw/zinc/41/47/52/972414752.db2.gz	NKLFOJPWAZGXCJ-AWEZNQCLSA-N	1	0	374.416	1.611	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nnnn3C3CC3)[C@H](C)C2)cc1	ZINC001093957211	959350762	/nfs/dbraw/zinc/35/07/62/959350762.db2.gz	MPICAHRRUVZCST-RHSMWYFYSA-N	1	0	364.453	1.487	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001094000104	959485705	/nfs/dbraw/zinc/48/57/05/959485705.db2.gz	VSSROHAMVUOUSI-IUODEOHRSA-N	1	0	369.400	1.279	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1C	ZINC001094023007	959541709	/nfs/dbraw/zinc/54/17/09/959541709.db2.gz	ABRFWSJKGAQBEF-IUODEOHRSA-N	1	0	371.416	1.927	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)c3csnn3)[C@H](C)C2)c1	ZINC001094027810	959548670	/nfs/dbraw/zinc/54/86/70/959548670.db2.gz	GAQMWBYJRGYTNB-DVOMOZLQSA-N	1	0	355.467	1.973	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)c3nnc(CC)[nH]3)[C@H](C)C2)c1	ZINC001094027906	959548845	/nfs/dbraw/zinc/54/88/45/959548845.db2.gz	JSOHFFXPCJEMBZ-JKIFEVAISA-N	1	0	366.469	1.802	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C(N)=O)co2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001094032738	959564543	/nfs/dbraw/zinc/56/45/43/959564543.db2.gz	RVFRHYNRLXJYLA-CXAGYDPISA-N	1	0	366.421	1.748	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cc(OC)ns2)[C@H](C)C1	ZINC001094055052	959643008	/nfs/dbraw/zinc/64/30/08/959643008.db2.gz	FFZBFACWTCTVID-XOUADPBQSA-N	1	0	365.499	1.927	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)n2C2CC2)[C@H](C)C1	ZINC001094054990	959643208	/nfs/dbraw/zinc/64/32/08/959643208.db2.gz	AMEBQMQKYWLTQW-UWIFEVILSA-N	1	0	373.501	1.697	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C3CC3)n2C)[C@H](C)C1	ZINC001094055119	959645261	/nfs/dbraw/zinc/64/52/61/959645261.db2.gz	JEUZEMAEWYUICS-DZUCGIPZSA-N	1	0	373.501	1.468	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C[NH2+]C[C@H]3CCS(=O)(=O)C3)[C@H](C)C2)CC1	ZINC001094017793	959663998	/nfs/dbraw/zinc/66/39/98/959663998.db2.gz	INVFYMAHCFIRSF-JFIYKMOQSA-N	1	0	368.543	1.852	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ccccn3)[C@H](C)C2)nn1	ZINC001094101365	959759895	/nfs/dbraw/zinc/75/98/95/959759895.db2.gz	OVMUSNORKLYZCD-HZPDHXFCSA-N	1	0	354.458	1.747	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ccns3)[C@H](C)C2)nn1	ZINC001094099877	959782845	/nfs/dbraw/zinc/78/28/45/959782845.db2.gz	QODSMYCRAKCGJH-ZIAGYGMSSA-N	1	0	360.487	1.809	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C	ZINC001094119269	959816483	/nfs/dbraw/zinc/81/64/83/959816483.db2.gz	PDWXMHQHFFNWEG-IUODEOHRSA-N	1	0	354.414	1.183	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3cnon3)C[C@H]2C)cc1C#N	ZINC001094123888	959826599	/nfs/dbraw/zinc/82/65/99/959826599.db2.gz	HZLWMKHZPUQTBX-IUODEOHRSA-N	1	0	355.398	1.448	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1C	ZINC001094125742	959831674	/nfs/dbraw/zinc/83/16/74/959831674.db2.gz	DYMWBEBLEDVHBW-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
C[N@@H+]1C[C@H](C(=O)NCCNc2cncc(C#N)n2)[C@@H](c2ccccc2)C1	ZINC001094132222	959854170	/nfs/dbraw/zinc/85/41/70/959854170.db2.gz	VPBMCWPGPAQPNO-SJORKVTESA-N	1	0	350.426	1.222	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CCn3cccc3)C[C@H]2C)C1=O	ZINC001094133987	959859402	/nfs/dbraw/zinc/85/94/02/959859402.db2.gz	CSMZWSVKISMSDZ-KURKYZTESA-N	1	0	358.486	1.349	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C[NH2+]Cc2cnn(C)c2)[C@H](C)C1	ZINC001094158972	959929522	/nfs/dbraw/zinc/92/95/22/959929522.db2.gz	RKGFZKMOLZSWJJ-NVXWUHKLSA-N	1	0	369.469	1.878	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ncnn3C(C)C)[C@H](C)C2)nc1	ZINC001094172349	959970152	/nfs/dbraw/zinc/97/01/52/959970152.db2.gz	OBXGLMQNEWLEOE-NVXWUHKLSA-N	1	0	366.469	1.733	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)o2)[C@H](C)C1	ZINC001094173861	959973430	/nfs/dbraw/zinc/97/34/30/959973430.db2.gz	BWBZRNUYNXXVIK-UKRRQHHQSA-N	1	0	369.425	1.283	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001094173963	959975120	/nfs/dbraw/zinc/97/51/20/959975120.db2.gz	JLRRHAZTPRPVAS-CRAIPNDOSA-N	1	0	364.449	1.755	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]Cc2cc(C)no2)[C@H](C)C1	ZINC001094174145	959976046	/nfs/dbraw/zinc/97/60/46/959976046.db2.gz	VBZDOZWBGFZRTL-GDBMZVCRSA-N	1	0	368.437	1.888	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ccn(C)c(=O)c3)[C@H](C)C2)cn1	ZINC001094174463	959977566	/nfs/dbraw/zinc/97/75/66/959977566.db2.gz	IXOTUUAYUGUVFE-CRAIPNDOSA-N	1	0	364.449	1.260	20	30		FDEDRO
Cc1nonc1CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1	ZINC001094142331	959999475	/nfs/dbraw/zinc/99/94/75/959999475.db2.gz	ZGELQNYAUFTZFR-DGCLKSJQSA-N	1	0	359.455	1.738	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001094221840	960051610	/nfs/dbraw/zinc/05/16/10/960051610.db2.gz	YFBYFILIVNPWRL-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
C=C[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2nncn2C)[C@H](C)C1)c1ccccc1	ZINC001094235381	960147423	/nfs/dbraw/zinc/14/74/23/960147423.db2.gz	CLAFKHDZRZGLHW-NXHRZFHOSA-N	1	0	353.470	1.969	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cn4c(n3)C[C@H](OC)CC4)CCC[C@@H]12	ZINC001094445057	960512714	/nfs/dbraw/zinc/51/27/14/960512714.db2.gz	OWVMNEFFCWGDAO-WRWLIDTKSA-N	1	0	356.470	1.452	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)C3CC4(C3)CS(=O)(=O)C4)CCC[C@@H]12	ZINC001094449335	960520893	/nfs/dbraw/zinc/52/08/93/960520893.db2.gz	MVGZPGVLUGFDAE-VQIMIIECSA-N	1	0	366.527	1.748	20	30		FDEDRO
CCN(CCC#N)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)/C=C\c1ccco1)C2	ZINC001110241895	960555289	/nfs/dbraw/zinc/55/52/89/960555289.db2.gz	HGGRYOAZTKQNLZ-GDECYKOZSA-N	1	0	370.453	1.776	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(=O)n(CCOC)c3)CCC[C@@H]12	ZINC001094458206	960556934	/nfs/dbraw/zinc/55/69/34/960556934.db2.gz	JSPDUPVWUAPTEJ-YLJYHZDGSA-N	1	0	357.454	1.102	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4cnn(C)c4C3)CCC[C@@H]12	ZINC001094497451	960613225	/nfs/dbraw/zinc/61/32/25/960613225.db2.gz	YKUGHLUEFAOFBG-OZOXKJRCSA-N	1	0	354.498	1.909	20	30		FDEDRO
C#C[C@H]([NH2+]CCOc1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1CCCO1	ZINC000775792880	972520428	/nfs/dbraw/zinc/52/04/28/972520428.db2.gz	IVDUKQAQECQDIH-IRXDYDNUSA-N	1	0	352.456	1.086	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cncc(-n4ccnn4)c3)CCC[C@@H]12	ZINC001094477985	960650211	/nfs/dbraw/zinc/65/02/11/960650211.db2.gz	GBOIBWGXAMFFSH-UYAOXDASSA-N	1	0	364.453	1.660	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(-n4cncn4)nc3)CCC[C@@H]12	ZINC001094482118	960665783	/nfs/dbraw/zinc/66/57/83/960665783.db2.gz	ZHXZYVMUNLAKAA-VQIMIIECSA-N	1	0	352.442	1.823	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnnn1CC)CC2	ZINC001094515347	960705997	/nfs/dbraw/zinc/70/59/97/960705997.db2.gz	FEJNAJYMRUXYLA-AJYBTWMASA-N	1	0	373.501	1.750	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cn4nc(C)cc4[nH]c3=O)CCC[C@@H]12	ZINC001094537083	960760084	/nfs/dbraw/zinc/76/00/84/960760084.db2.gz	KLMJWLNYVOVMCZ-OXQOHEQNSA-N	1	0	367.453	1.329	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)C2CCN(C(=O)[C@]34C[C@H]3CCC4)CC2)CC1	ZINC000954022233	1013203281	/nfs/dbraw/zinc/20/32/81/1013203281.db2.gz	CDBFBZZXWDBBSC-XMSQKQJNSA-N	1	0	371.525	1.971	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)c3nc4nccc(C)n4n3)CCC[C@@H]12	ZINC001094571318	960842190	/nfs/dbraw/zinc/84/21/90/960842190.db2.gz	FSDFEKDDSCNQBN-DNVCBOLYSA-N	1	0	354.458	1.983	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(-n4cnnn4)cc3)CCC[C@@H]12	ZINC001094573484	960848072	/nfs/dbraw/zinc/84/80/72/960848072.db2.gz	BEOQJORCESZCJS-UYAOXDASSA-N	1	0	364.453	1.660	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cccn4c(=O)[nH]nc34)CCC[C@@H]12	ZINC001094558029	960912579	/nfs/dbraw/zinc/91/25/79/960912579.db2.gz	BGPVAZPJASCKOL-DNVCBOLYSA-N	1	0	355.442	1.985	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@]23CCC[C@H]2OCC3)C[C@H]1C	ZINC001182082248	961415345	/nfs/dbraw/zinc/41/53/45/961415345.db2.gz	GXCRYWXLDGHVES-SMOSDQRPSA-N	1	0	363.502	1.322	20	30		FDEDRO
C[C@@H](CCCC#N)[N@H+]1C[C@@H](NC(=O)c2cnccn2)[C@H]2OCCC[C@H]2C1	ZINC001172495115	961685620	/nfs/dbraw/zinc/68/56/20/961685620.db2.gz	MSDHFPVNEQUPMN-ONIAQPFYSA-N	1	0	357.458	1.768	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)[C@](C)(CO)C2)C[C@H]1C#N	ZINC001172979829	961861550	/nfs/dbraw/zinc/86/15/50/961861550.db2.gz	IDAYHSCPQGLMOV-AFIMGQEJSA-N	1	0	353.463	1.343	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H](N2CC[NH+]([C@H]3CCOC3)CC2)C[C@H]1C#N	ZINC001172979539	961863392	/nfs/dbraw/zinc/86/33/92/961863392.db2.gz	FLSUYFUXSZWQQC-ULQDDVLXSA-N	1	0	364.490	1.685	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCN2CC3(COC3)C2)C[C@H]1C#N	ZINC001172985423	961868990	/nfs/dbraw/zinc/86/89/90/961868990.db2.gz	OVNDXUCPIGQOTR-CABCVRRESA-N	1	0	350.463	1.200	20	30		FDEDRO
C[C@@H]1COCCN1CC[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1	ZINC001173424507	962127816	/nfs/dbraw/zinc/12/78/16/962127816.db2.gz	HSGGUBHXZUJRLY-MRXNPFEDSA-N	1	0	356.470	1.473	20	30		FDEDRO
N#CCCN1CC[NH+](C2CCN(CC(=O)OCc3ccccc3)CC2)CC1	ZINC001173471829	962159420	/nfs/dbraw/zinc/15/94/20/962159420.db2.gz	ZESOUEHLBXLFTM-UHFFFAOYSA-N	1	0	370.497	1.725	20	30		FDEDRO
N#Cc1cccc2[nH]cc(CC(=O)N3CCO[C@@H](C[NH+]4CCCC4)C3)c21	ZINC001182582005	962322159	/nfs/dbraw/zinc/32/21/59/962322159.db2.gz	WUQOSAGKHDXILX-KRWDZBQOSA-N	1	0	352.438	1.905	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCCC(C)(C)C)C1	ZINC001182670978	962383652	/nfs/dbraw/zinc/38/36/52/962383652.db2.gz	XYPHZJPWRLFDTJ-ZACQAIPSSA-N	1	0	365.518	1.711	20	30		FDEDRO
COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCN(O)C2=O)c(OC)c1	ZINC001182674227	962385151	/nfs/dbraw/zinc/38/51/51/962385151.db2.gz	DIWCHZQFBXTDFD-FZMZJTMJSA-N	1	0	351.403	1.391	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2nccc(C)n2)C1	ZINC001182684720	962433090	/nfs/dbraw/zinc/43/30/90/962433090.db2.gz	KTHOSGDLRSUBGI-DFYYWFRZSA-N	1	0	358.486	1.950	20	30		FDEDRO
COC(=O)[C@@H]1C[C@@H]([NH2+]CCCOc2ccccc2C#N)C[C@@H]1C(=O)OC	ZINC001173583879	962458218	/nfs/dbraw/zinc/45/82/18/962458218.db2.gz	WENUOGONVUCRMO-PHZGNYQRSA-N	1	0	360.410	1.658	20	30		FDEDRO
Cn1nccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OCC#N)cc1	ZINC001095228877	962474718	/nfs/dbraw/zinc/47/47/18/962474718.db2.gz	BFKLJFKRUDXRTQ-NJAFHUGGSA-N	1	0	365.437	1.858	20	30		FDEDRO
C[C@H](C(=O)N[C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1)c1ccc(C#N)cc1	ZINC001182801218	962526831	/nfs/dbraw/zinc/52/68/31/962526831.db2.gz	YTLFTNOGHFCAEQ-WBAXXEDZSA-N	1	0	356.470	1.767	20	30		FDEDRO
N#Cc1nccnc1N1CC[NH+](C2CCN(CC(F)(F)F)CC2)CC1	ZINC001173670877	962549376	/nfs/dbraw/zinc/54/93/76/962549376.db2.gz	KRJAWOOCQHSXDL-UHFFFAOYSA-N	1	0	354.380	1.497	20	30		FDEDRO
C=CCOC(=O)N1CCC2(C[NH+]([C@@H]3CCC[C@H](n4ncnn4)C3)C2)CC1	ZINC001173757514	962638616	/nfs/dbraw/zinc/63/86/16/962638616.db2.gz	YAMPXPCFURLNHC-CVEARBPZSA-N	1	0	360.462	1.877	20	30		FDEDRO
C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1[C@H]1CCC[C@@H](n2ncnn2)C1	ZINC001173763397	962652227	/nfs/dbraw/zinc/65/22/27/962652227.db2.gz	RCVRJIROZCUPGC-ZMSDIMECSA-N	1	0	357.462	1.692	20	30		FDEDRO
N#Cc1ccc(N2CC[NH+]([C@H]3CCC[C@@H](n4ncnn4)C3)CC2)c(F)c1	ZINC001173770508	962666688	/nfs/dbraw/zinc/66/66/88/962666688.db2.gz	QAAMIHOIGNNMKC-JKSUJKDBSA-N	1	0	355.421	1.990	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CCC2(C[C@H](c3cccnc3)C(=O)N2)CC1	ZINC001183042782	962754840	/nfs/dbraw/zinc/75/48/40/962754840.db2.gz	DMSHZMKETZYUSQ-GOSISDBHSA-N	1	0	368.481	1.698	20	30		FDEDRO
CS(=O)(=O)N(CC[NH3+])C(=O)C[C@@H](C#N)c1c(Cl)cccc1Cl	ZINC001183092203	962780364	/nfs/dbraw/zinc/78/03/64/962780364.db2.gz	VGDVHVKVTBQLLD-VIFPVBQESA-N	1	0	364.254	1.738	20	30		FDEDRO
C=C[C@@H](CO)NC(=O)C1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC001183157781	962890830	/nfs/dbraw/zinc/89/08/30/962890830.db2.gz	BGCBKIJPJYVRGO-JKSUJKDBSA-N	1	0	367.490	1.371	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1	ZINC001183391903	963007009	/nfs/dbraw/zinc/00/70/09/963007009.db2.gz	SNKAADFZGVADCD-JFIYKMOQSA-N	1	0	362.474	1.374	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=O)NC1CCCC1	ZINC001175365316	963169462	/nfs/dbraw/zinc/16/94/62/963169462.db2.gz	JEHYPYNDYMHSQU-NXHRZFHOSA-N	1	0	365.518	1.901	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1c(C)nnn1CC	ZINC001175364941	963169804	/nfs/dbraw/zinc/16/98/04/963169804.db2.gz	FAXBBPCUCODVPG-KYJSFNMBSA-N	1	0	363.506	1.962	20	30		FDEDRO
C[NH+]1CCN(c2ccc(NC(=O)[C@H](C#N)Cc3ccc(O)cc3)nc2)CC1	ZINC001183604881	963170116	/nfs/dbraw/zinc/17/01/16/963170116.db2.gz	COZKPXKEOLUAHL-INIZCTEOSA-N	1	0	365.437	1.860	20	30		FDEDRO
CNC(=O)c1cc(Nc2ccc(N3CC[NH+](C)CC3)c(C#N)c2)ccn1	ZINC001175412193	963193164	/nfs/dbraw/zinc/19/31/64/963193164.db2.gz	NJCOSPGZZTZMSW-UHFFFAOYSA-N	1	0	350.426	1.230	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CCn1cncn1	ZINC001175630961	963243808	/nfs/dbraw/zinc/24/38/08/963243808.db2.gz	VLUDZEGCVQNVFJ-SQNIBIBYSA-N	1	0	363.506	1.914	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)[C@H]1CCCO1	ZINC000773551333	963386629	/nfs/dbraw/zinc/38/66/29/963386629.db2.gz	ZVFUXPQFSQEVGB-RTBURBONSA-N	1	0	363.502	1.701	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH+]2CCN(c3cc(Cl)ccn3)CC2)CCOCC1	ZINC001176288607	963402138	/nfs/dbraw/zinc/40/21/38/963402138.db2.gz	PNXCXKKOBKVOHH-INIZCTEOSA-N	1	0	364.877	1.928	20	30		FDEDRO
COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(=O)n3ncc(C#N)c3[nH]2)cc1	ZINC001176586921	963464667	/nfs/dbraw/zinc/46/46/67/963464667.db2.gz	GDYNZMUDYOUKTH-IBGZPJMESA-N	1	0	367.409	1.398	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1	ZINC001184191804	963472931	/nfs/dbraw/zinc/47/29/31/963472931.db2.gz	MKNRIDVUALXOGY-KUDFPVQQSA-N	1	0	369.465	1.220	20	30		FDEDRO
C=CCC[C@H]1CCC[N@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC001176771969	963551067	/nfs/dbraw/zinc/55/10/67/963551067.db2.gz	ZRFFLWYUKBGAID-INIZCTEOSA-N	1	0	357.458	1.934	20	30		FDEDRO
N#Cc1ccc(NC(=O)N2CCC([NH+]3CCC(C(N)=O)CC3)CC2)cc1	ZINC001184741815	963708664	/nfs/dbraw/zinc/70/86/64/963708664.db2.gz	CBGBNODHOHJKKC-UHFFFAOYSA-N	1	0	355.442	1.752	20	30		FDEDRO
C#CCCCNC(=O)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1	ZINC000774840936	963858506	/nfs/dbraw/zinc/85/85/06/963858506.db2.gz	GSWVTKLBIQWZTP-LJQANCHMSA-N	1	0	371.481	1.868	20	30		FDEDRO
NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CC#Cc3ccc(F)cc3)C2)C1	ZINC001185684884	964044509	/nfs/dbraw/zinc/04/45/09/964044509.db2.gz	UUBDVMKMHMYAQS-SOLBZPMBSA-N	1	0	357.429	1.269	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCCC(C)(C)C)C1	ZINC001185758436	964090320	/nfs/dbraw/zinc/09/03/20/964090320.db2.gz	DGVOVFHOFWPSTC-OAGGEKHMSA-N	1	0	351.491	1.320	20	30		FDEDRO
N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)C1	ZINC001185767867	964092978	/nfs/dbraw/zinc/09/29/78/964092978.db2.gz	OSUPAUYNQWJNMY-GUDVDZBRSA-N	1	0	368.481	1.791	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1OCC[C@H]1C(C)C	ZINC001178502141	964245565	/nfs/dbraw/zinc/24/55/65/964245565.db2.gz	JLVUEGFUAIZZFK-WMZOPIPTSA-N	1	0	353.507	1.616	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2cc(C)on2)C1	ZINC001186243262	964370518	/nfs/dbraw/zinc/37/05/18/964370518.db2.gz	BCMCAZOBKJIRNA-KEYYUXOJSA-N	1	0	362.430	1.093	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1	ZINC001178752660	964430882	/nfs/dbraw/zinc/43/08/82/964430882.db2.gz	XMBQGSKNHVTQCC-ARFHVFGLSA-N	1	0	361.490	1.470	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(Nc2nc(C)nc(N(C)C)n2)CC1	ZINC001110379355	964434135	/nfs/dbraw/zinc/43/41/35/964434135.db2.gz	ILEUKUJLIRBLAC-KBPBESRZSA-N	1	0	360.462	1.288	20	30		FDEDRO
C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCO[C@H]2C=C)CC12CCOCC2	ZINC001186374254	964482248	/nfs/dbraw/zinc/48/22/48/964482248.db2.gz	UQYPESNOQJOFDH-OTWHNJEPSA-N	1	0	360.498	1.836	20	30		FDEDRO
C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC12CCOCC2	ZINC001186424172	964503141	/nfs/dbraw/zinc/50/31/41/964503141.db2.gz	GGSWIHXASDVBQM-WXJALIKYSA-N	1	0	360.498	1.831	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](C[NH2+]CCOC)C2(C1)CCOCC2	ZINC001186520970	964545864	/nfs/dbraw/zinc/54/58/64/964545864.db2.gz	BLJPEWVITJTAFE-BZSNNMDCSA-N	1	0	366.502	1.459	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@]12CCC[C@H]1OCC2	ZINC001179004417	964616015	/nfs/dbraw/zinc/61/60/15/964616015.db2.gz	QNOGWEAAVQBVHX-APWZRJJASA-N	1	0	351.491	1.514	20	30		FDEDRO
C=CCOc1ccc(/C=C\C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)cc1OC	ZINC001179007793	964620051	/nfs/dbraw/zinc/62/00/51/964620051.db2.gz	COLRIDAZYHDWKW-GMNBZTITSA-N	1	0	358.438	1.863	20	30		FDEDRO
C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC([NH2+][C@H]2CCOC2)C1	ZINC001179008627	964623589	/nfs/dbraw/zinc/62/35/89/964623589.db2.gz	OSHBGWSTMWEPLN-GOEBONIOSA-N	1	0	367.490	1.825	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CCCCCCNC(=O)[C@@H]2CCO[C@H]2CC)C1=O	ZINC001179089679	964712261	/nfs/dbraw/zinc/71/22/61/964712261.db2.gz	HQRWPKKYGDSEAF-SQNIBIBYSA-N	1	0	365.518	1.855	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC1CC(C[NH2+]Cc2ccc(C#N)s2)C1	ZINC000962314768	1013521860	/nfs/dbraw/zinc/52/18/60/1013521860.db2.gz	NDISUGDMJQLTPW-UQZDFYISSA-N	1	0	360.483	1.328	20	30		FDEDRO
C=C[C@@H]1C[C@]1(NC(=O)c1ccccc1N1CC[NH+](C)CC1)C(=O)OCC	ZINC001186904786	964862105	/nfs/dbraw/zinc/86/21/05/964862105.db2.gz	CRBURIIZFIWDTB-FOIQADDNSA-N	1	0	357.454	1.676	20	30		FDEDRO
N#CCSCC(=O)N1CC[C@H]2C[N@H+](CCCC3CCOCC3)C[C@H]21	ZINC001186917656	964878219	/nfs/dbraw/zinc/87/82/19/964878219.db2.gz	WNUNSARZBASYPZ-DLBZAZTESA-N	1	0	351.516	1.983	20	30		FDEDRO
C[C@H]1[C@@H]([NH2+]CC#Cc2ccc(Cl)cc2)CCN1C(=O)[C@H]1C[C@H]1C(N)=O	ZINC001179544024	964911624	/nfs/dbraw/zinc/91/16/24/964911624.db2.gz	PXQGFVWSMDRUHE-IEAZIUSSSA-N	1	0	359.857	1.392	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCCCCC[NH2+]CCn1cncn1	ZINC001179781186	964975613	/nfs/dbraw/zinc/97/56/13/964975613.db2.gz	NVPJGZDJVBBGBI-ROUUACIJSA-N	1	0	363.506	1.916	20	30		FDEDRO
CC(C)[NH+]1CCN(CCC(=O)N2CCc3c(C#N)c(N)sc3C2)CC1	ZINC001179874663	965025835	/nfs/dbraw/zinc/02/58/35/965025835.db2.gz	FHDSLMFPDLFNDS-UHFFFAOYSA-N	1	0	361.515	1.503	20	30		FDEDRO
COCC#CC(=O)NC[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1	ZINC001187135756	965036432	/nfs/dbraw/zinc/03/64/32/965036432.db2.gz	BYZRNPYRPBGHGI-OAQYLSRUSA-N	1	0	366.461	1.816	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)CCc1ccc(S(C)(=O)=O)cc1	ZINC001180074838	965102584	/nfs/dbraw/zinc/10/25/84/965102584.db2.gz	XFUWZUDPORCLJN-INIZCTEOSA-N	1	0	350.484	1.789	20	30		FDEDRO
CCNC(=O)CCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001187289378	965168583	/nfs/dbraw/zinc/16/85/83/965168583.db2.gz	UFIVWVMAJTUUIL-ZWKOTPCHSA-N	1	0	354.454	1.507	20	30		FDEDRO
COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCCC[C@@H]1C#N	ZINC001180408541	965313058	/nfs/dbraw/zinc/31/30/58/965313058.db2.gz	ZQRFMTBTKNUQSC-FGTMMUONSA-N	1	0	355.438	1.812	20	30		FDEDRO
N#Cc1ccc(NCC(=O)N2CCC(O)(C[NH+]3CCCCC3)CC2)nc1	ZINC001180511078	965351187	/nfs/dbraw/zinc/35/11/87/965351187.db2.gz	XAOQHKASLIXBIY-UHFFFAOYSA-N	1	0	357.458	1.205	20	30		FDEDRO
CC(C)N(C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1)C(C)C	ZINC001187456111	965368775	/nfs/dbraw/zinc/36/87/75/965368775.db2.gz	MSVVXOOXXJCPOU-FUHWJXTLSA-N	1	0	371.485	1.678	20	30		FDEDRO
CC(C)[C@H](C)NC(=O)CN1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1	ZINC001187456366	965370168	/nfs/dbraw/zinc/37/01/68/965370168.db2.gz	SGCGDZHXMIFVSK-JLJPHGGASA-N	1	0	357.458	1.193	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]21	ZINC001187472393	965383771	/nfs/dbraw/zinc/38/37/71/965383771.db2.gz	GTANKOWMMHJVOJ-OKZBNKHCSA-N	1	0	365.518	1.757	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)N(CC)CC)C[C@H]21	ZINC001187473177	965385336	/nfs/dbraw/zinc/38/53/36/965385336.db2.gz	VFTBIJBDAXINTJ-FGTMMUONSA-N	1	0	365.518	1.759	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C)ccc3OC)C[C@H]21	ZINC001187598200	965517416	/nfs/dbraw/zinc/51/74/16/965517416.db2.gz	HLRXIWLQIHTIQN-FUHWJXTLSA-N	1	0	369.465	1.176	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCc4c3cccc4F)C[C@H]21	ZINC001187598595	965521826	/nfs/dbraw/zinc/52/18/26/965521826.db2.gz	VAGDSGWKINCDGQ-GDIGMMSISA-N	1	0	369.440	1.485	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3C[N@H+](CCCO[C@@H]4CCOC4)C[C@H]32)c[nH]1	ZINC001187569524	965535112	/nfs/dbraw/zinc/53/51/12/965535112.db2.gz	PJTGPNHBECYEMZ-BMGDILEWSA-N	1	0	358.442	1.228	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(F)cc3C)C[C@H]21	ZINC001187605660	965555700	/nfs/dbraw/zinc/55/57/00/965555700.db2.gz	PKCLXXMSYNXKKJ-FUHWJXTLSA-N	1	0	357.429	1.306	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1	ZINC001180794050	965566755	/nfs/dbraw/zinc/56/67/55/965566755.db2.gz	JFJRDZREWWLCHV-INIZCTEOSA-N	1	0	366.506	1.306	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](CCOc3ccc(C)cc3)C[C@H]21	ZINC001187864885	965807760	/nfs/dbraw/zinc/80/77/60/965807760.db2.gz	FXIKTZIUZCCASO-WSTZPKSXSA-N	1	0	356.466	1.945	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc4c(c3)COC4)C[C@H]21	ZINC001187866062	965812072	/nfs/dbraw/zinc/81/20/72/965812072.db2.gz	XXHZVUNJTFHZQB-FXAWDEMLSA-N	1	0	354.450	1.789	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3COc4ccccc4O3)C[C@H]21	ZINC001187874477	965869889	/nfs/dbraw/zinc/86/98/89/965869889.db2.gz	UXCMENDGKVLKKL-RCCFBDPRSA-N	1	0	370.449	1.399	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3Cc4ccccc4O3)[C@@H]2C1	ZINC001188005226	965960042	/nfs/dbraw/zinc/96/00/42/965960042.db2.gz	UQUSQRNZDHZTLC-IPMKNSEASA-N	1	0	354.450	1.563	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CC[C@H]2CN(CC(=O)NC[C@@H]3CCOC3)C[C@H]21	ZINC001188063095	965986356	/nfs/dbraw/zinc/98/63/56/965986356.db2.gz	BNNMSRYJTHUKLY-YESZJQIVSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@H+](CCCN3C(=O)CNC3=O)C[C@H]21	ZINC001188063788	965987884	/nfs/dbraw/zinc/98/78/84/965987884.db2.gz	QISOUNPIMZNGJM-LSDHHAIUSA-N	1	0	362.474	1.063	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)S(C)(=O)=O)[C@@H]2C1	ZINC001188107676	966025526	/nfs/dbraw/zinc/02/55/26/966025526.db2.gz	VQYNDXVZXNGXPH-JKSUJKDBSA-N	1	0	359.536	1.381	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCN(C)c4ccccc43)[C@@H]2C1	ZINC001188231643	966142619	/nfs/dbraw/zinc/14/26/19/966142619.db2.gz	WVWOOXFWQBDGDL-HFSMHLIXSA-N	1	0	367.493	1.793	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1C[C@@H]2CCN(C(=O)c3c(C)ncn3C)[C@@H]2C1	ZINC001188255388	966158170	/nfs/dbraw/zinc/15/81/70/966158170.db2.gz	LPCBDGWJDHCUEB-DLBZAZTESA-N	1	0	371.485	1.075	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)[C@@H]2C1	ZINC001188387153	966254322	/nfs/dbraw/zinc/25/43/22/966254322.db2.gz	AXWZAVMJESGADU-ZWKOTPCHSA-N	1	0	362.518	1.040	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ncn4ccc(C)cc34)[C@@H]2C1	ZINC001188396427	966263608	/nfs/dbraw/zinc/26/36/08/966263608.db2.gz	LIEYHYHUEUQNKT-FUHWJXTLSA-N	1	0	352.438	1.439	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)[C@H](C)CC(=C)C)[C@@H]2C1	ZINC001188885566	966606443	/nfs/dbraw/zinc/60/64/43/966606443.db2.gz	QNWLAJICCWJJPZ-OWCLPIDISA-N	1	0	362.474	1.133	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cccc(C)c3)[C@@H]2C1	ZINC001188992118	966689434	/nfs/dbraw/zinc/68/94/34/966689434.db2.gz	QKPZPBRIBNYPSN-NZSAHSFTSA-N	1	0	355.482	1.761	20	30		FDEDRO
C=CCCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(c4cnn(C)c4)C3=O)C[C@H]21	ZINC001189007185	966696759	/nfs/dbraw/zinc/69/67/59/966696759.db2.gz	PMZCIOGECDCYSQ-CGTJXYLNSA-N	1	0	371.485	1.414	20	30		FDEDRO
COC[C@H](OC)C(=O)N1CC[C@H]2CN(Cc3ccc(C#N)c(F)c3)C[C@H]21	ZINC001189068274	966731036	/nfs/dbraw/zinc/73/10/36/966731036.db2.gz	FGIUSYJOZNHYTK-JQHSSLGASA-N	1	0	361.417	1.391	20	30		FDEDRO
C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CCCC(F)(F)C3)[C@@H]2C1	ZINC001189109565	966738421	/nfs/dbraw/zinc/73/84/21/966738421.db2.gz	AETOYIQCJYRTQC-SOUVJXGZSA-N	1	0	353.413	1.094	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(-n4cccn4)ccn3)[C@@H]2C1	ZINC001189101807	966773942	/nfs/dbraw/zinc/77/39/42/966773942.db2.gz	PEMPCLANBFIIPJ-QFBILLFUSA-N	1	0	367.453	1.616	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(N4CC=CC4)c3)[C@@H]2C1	ZINC001189261730	966884156	/nfs/dbraw/zinc/88/41/56/966884156.db2.gz	ZHIRBCHJMXMQSX-PZJWPPBQSA-N	1	0	365.477	1.859	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CC[C@H]3C[N@@H+](CCOCC(C)C)C[C@H]32)nn1	ZINC001189382675	966932747	/nfs/dbraw/zinc/93/27/47/966932747.db2.gz	OZILNYJVXKEOEH-FUHWJXTLSA-N	1	0	361.490	1.673	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3c4ccccc4nn3C)[C@@H]2C1	ZINC001189640538	967101852	/nfs/dbraw/zinc/10/18/52/967101852.db2.gz	PWQKPPMQBMLCLJ-MAUKXSAKSA-N	1	0	352.438	1.369	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCC[C@H](C2CC[NH+](CC(=O)NCC#N)CC2)C1	ZINC000852292325	967192510	/nfs/dbraw/zinc/19/25/10/967192510.db2.gz	BZJOZWSYAVJKNR-INIZCTEOSA-N	1	0	364.490	1.985	20	30		FDEDRO
CCOCCOCCCC(=O)N1CC[C@H]2C[N@H+](CC#CCOC)C[C@H]21	ZINC001189801364	967302669	/nfs/dbraw/zinc/30/26/69/967302669.db2.gz	DKYIACKHDQYCMP-ZWKOTPCHSA-N	1	0	352.475	1.002	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](CCCC)C(N)=O)C[C@H]32)cn1	ZINC001189851799	967355005	/nfs/dbraw/zinc/35/50/05/967355005.db2.gz	POZUINIJRZDEAB-RYQLBKOJSA-N	1	0	354.454	1.253	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cnn4c3C[C@H](C)CC4)[C@@H]2C1	ZINC001189969516	967423436	/nfs/dbraw/zinc/42/34/36/967423436.db2.gz	IVVHQYCQLZLBJZ-JTDSTZFVSA-N	1	0	358.486	1.814	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1CC[C@@H](C)C[C@H]1CNC(=O)OC(C)(C)C	ZINC000852599817	967455351	/nfs/dbraw/zinc/45/53/51/967455351.db2.gz	UOBOGXXBXAZIOV-KGLIPLIRSA-N	1	0	368.478	1.623	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=O)C[NH2+][C@H](C)c2cccc(C#N)c2)CC1	ZINC000775337354	967468192	/nfs/dbraw/zinc/46/81/92/967468192.db2.gz	FMBLEOWBMQCXAU-CQSZACIVSA-N	1	0	358.442	1.946	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCOc3ccccc3F)[C@@H]2C1	ZINC001190041758	967511383	/nfs/dbraw/zinc/51/13/83/967511383.db2.gz	CUBRAOGCERHLNY-FUHWJXTLSA-N	1	0	360.429	1.777	20	30		FDEDRO
C#CC1CCN(C(=O)NC[C@H]2CN(C)CCN2Cc2ccccc2)CC1	ZINC000852695629	967538237	/nfs/dbraw/zinc/53/82/37/967538237.db2.gz	DPACIKMNMNCSSF-FQEVSTJZSA-N	1	0	354.498	1.857	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3NC(=O)NC3=O)[C@@H]2C1	ZINC001190081372	967548461	/nfs/dbraw/zinc/54/84/61/967548461.db2.gz	JOOOJMNWRFYWBH-ARFHVFGLSA-N	1	0	362.474	1.254	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Oc3ccc(F)cc3)[C@@H]2C1	ZINC001190082676	967549929	/nfs/dbraw/zinc/54/99/29/967549929.db2.gz	UKLBXAVTOFMQRJ-JTDSTZFVSA-N	1	0	360.429	1.776	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NC[C@@H](O)COc1cccc(C(F)(F)F)c1	ZINC000852824543	967636037	/nfs/dbraw/zinc/63/60/37/967636037.db2.gz	XQZVIXVPVNJHNO-OAHLLOKOSA-N	1	0	370.371	1.564	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1	ZINC000852825544	967637210	/nfs/dbraw/zinc/63/72/10/967637210.db2.gz	QXAFWLJRERPDHC-KRWDZBQOSA-N	1	0	358.417	1.551	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2	ZINC000852845186	967652293	/nfs/dbraw/zinc/65/22/93/967652293.db2.gz	SEYFUOJUFXNJSG-HNNXBMFYSA-N	1	0	364.829	1.264	20	30		FDEDRO
CC[C@H]1Oc2cc([C@@H](C)NC(=O)C#CC3CC[NH2+]CC3)ccc2NC1=O	ZINC000852848310	967654414	/nfs/dbraw/zinc/65/44/14/967654414.db2.gz	GYNPNTMPPPQXSK-CXAGYDPISA-N	1	0	355.438	1.976	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NCc1cccc(OCCN2CCOCC2)c1	ZINC000852863054	967668197	/nfs/dbraw/zinc/66/81/97/967668197.db2.gz	PRFRFSXDDNYUHK-UHFFFAOYSA-N	1	0	371.481	1.017	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NCc1ccc(C(=O)Nc2ccncc2)cc1	ZINC000852863014	967668649	/nfs/dbraw/zinc/66/86/49/967668649.db2.gz	OZJODKABKKSFSZ-UHFFFAOYSA-N	1	0	362.433	1.375	20	30		FDEDRO
Cc1ccc(CNC(=O)C#CC2CC[NH2+]CC2)c(-n2cc(Cl)cn2)n1	ZINC000852888141	967691342	/nfs/dbraw/zinc/69/13/42/967691342.db2.gz	GGGQYXZYUHNCSI-UHFFFAOYSA-N	1	0	357.845	1.848	20	30		FDEDRO
C=C(Cl)CN1C[C@@H]2CCN(C(=O)CNC(=O)c3cc(C)oc3C)[C@@H]2C1	ZINC001190254594	967696970	/nfs/dbraw/zinc/69/69/70/967696970.db2.gz	DDHPKDRISYBMLJ-GOEBONIOSA-N	1	0	365.861	1.911	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CNC(=O)c3ccsc3)[C@@H]2C1	ZINC001190254888	967697535	/nfs/dbraw/zinc/69/75/35/967697535.db2.gz	INVOWLVTGTWZGS-GOEBONIOSA-N	1	0	363.483	1.213	20	30		FDEDRO
CN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CC#Cc4ccccc4)[C@@H]3C2)C1=O	ZINC001190291378	967742215	/nfs/dbraw/zinc/74/22/15/967742215.db2.gz	WPHJTWSHMUXNPC-IPMKNSEASA-N	1	0	351.450	1.192	20	30		FDEDRO
Cn1ncc2c1ncn(N=CC1CC[NH+](Cc3ccccc3)CC1)c2=O	ZINC000853286625	967958099	/nfs/dbraw/zinc/95/80/99/967958099.db2.gz	COEARKMKHGKWKL-UHFFFAOYSA-N	1	0	350.426	1.876	20	30		FDEDRO
C[NH+](C)CCCNC(=S)NN=Cc1ccc(O[C@@H]2CCOC2)cc1	ZINC000853306137	967964439	/nfs/dbraw/zinc/96/44/39/967964439.db2.gz	QJFWCQZTFSJWRO-MRXNPFEDSA-N	1	0	350.488	1.604	20	30		FDEDRO
C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1cc(C#N)ccc1F	ZINC001190632018	967995632	/nfs/dbraw/zinc/99/56/32/967995632.db2.gz	QTCDNQLIZCFABS-JKSUJKDBSA-N	1	0	366.462	1.096	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(F)c(F)c1)C2	ZINC001110666239	968007114	/nfs/dbraw/zinc/00/71/14/968007114.db2.gz	DSNMEHKFWHQIBH-ZPUIDXCVSA-N	1	0	361.392	1.438	20	30		FDEDRO
C[C@H](C#N)N(CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O)C1CC1	ZINC000853546416	968103347	/nfs/dbraw/zinc/10/33/47/968103347.db2.gz	FDBXENDKDVQVJT-OLMNPRSZSA-N	1	0	352.438	1.437	20	30		FDEDRO
Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1	ZINC000853556626	968116067	/nfs/dbraw/zinc/11/60/67/968116067.db2.gz	GDOOUOMHBIMIDO-SJORKVTESA-N	1	0	350.426	1.683	20	30		FDEDRO
CC(C)(C)n1cc(CO[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)nn1	ZINC000853672390	968239176	/nfs/dbraw/zinc/23/91/76/968239176.db2.gz	DPSMDTSYRUIALF-UHFFFAOYSA-N	1	0	372.473	1.831	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC000853739191	968282880	/nfs/dbraw/zinc/28/28/80/968282880.db2.gz	DWSXSMCBPWSJPV-SFHVURJKSA-N	1	0	357.454	1.439	20	30		FDEDRO
N#CCSCC(=O)N[C@@H]1C[N@@H+](CCc2ccc3ccccc3c2)C[C@H]1O	ZINC001191149552	968299240	/nfs/dbraw/zinc/29/92/40/968299240.db2.gz	YDCXTKKTHDWJRY-RTBURBONSA-N	1	0	369.490	1.800	20	30		FDEDRO
N#CCSCC(=O)N[C@@H]1C[N@@H+](CCc2ccc(Cl)cc2)C[C@H]1O	ZINC001191162234	968306835	/nfs/dbraw/zinc/30/68/35/968306835.db2.gz	OSOFHNCKNFSKNB-HUUCEWRRSA-N	1	0	353.875	1.301	20	30		FDEDRO
CC(C)(O)C#Cc1ccc(C(=O)N2CC[NH+](C3CCOCC3)CC2)cc1	ZINC001191167357	968309853	/nfs/dbraw/zinc/30/98/53/968309853.db2.gz	IRJUPSHNOVGNMV-UHFFFAOYSA-N	1	0	356.466	1.746	20	30		FDEDRO
C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@@]1([NH+](C)C)CCSC1	ZINC000853821206	968347706	/nfs/dbraw/zinc/34/77/06/968347706.db2.gz	XIHTZFQDZSMBJT-KRWDZBQOSA-N	1	0	355.504	1.410	20	30		FDEDRO
C#CCCN(CCOC)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1	ZINC000853974838	968487911	/nfs/dbraw/zinc/48/79/11/968487911.db2.gz	QTUINWCVJGYYHU-LJQANCHMSA-N	1	0	359.470	1.435	20	30		FDEDRO
C#C[C@H](CC)NC(=O)N1CCC(C(=O)NCCC[NH+](CC)CC)CC1	ZINC000854070229	968571942	/nfs/dbraw/zinc/57/19/42/968571942.db2.gz	KIQSLWHOQHBKRN-QGZVFWFLSA-N	1	0	350.507	1.668	20	30		FDEDRO
C#C[C@@H](CC)NC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1	ZINC000854073634	968573961	/nfs/dbraw/zinc/57/39/61/968573961.db2.gz	YYTCUDSNTKJCSR-INIZCTEOSA-N	1	0	350.507	1.524	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H](CNc2cnc(C#N)cn2)C2CCCC2)CC[N@@H+]1C	ZINC001110683451	968830517	/nfs/dbraw/zinc/83/05/17/968830517.db2.gz	CUFBBOSVYXTXAK-XYPHTWIQSA-N	1	0	356.474	1.775	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H](C)[C@H]2CN(C)CCO2)c(OC)c1	ZINC000644602782	1013848718	/nfs/dbraw/zinc/84/87/18/1013848718.db2.gz	NLMORIPRVMNDCQ-XAUMDUMWSA-N	1	0	364.486	1.472	20	30		FDEDRO
COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1	ZINC001192767074	969276081	/nfs/dbraw/zinc/27/60/81/969276081.db2.gz	LOVYYESKOOAYCP-YZGWKJHDSA-N	1	0	356.466	1.981	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1C[N@H+](CCCOc2ccc(Cl)cc2)C[C@H]1O	ZINC001192805269	969309714	/nfs/dbraw/zinc/30/97/14/969309714.db2.gz	WEPJXITWZHZEOD-QZTJIDSGSA-N	1	0	364.873	1.930	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](CCCc2ccccc2Cl)C[C@H]1O	ZINC001192886682	969349213	/nfs/dbraw/zinc/34/92/13/969349213.db2.gz	VPQURUDPAAXRNB-QZTJIDSGSA-N	1	0	364.873	1.474	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(C3CCOCC3)n2)C1	ZINC001192969748	969409627	/nfs/dbraw/zinc/40/96/27/969409627.db2.gz	VFYXOWZFVQSMCD-BMGDILEWSA-N	1	0	362.474	1.364	20	30		FDEDRO
CCNC(=O)OC[C@@H]1CCCCN1CC(=O)NCc1cccc(C#N)c1	ZINC000796158568	1013888007	/nfs/dbraw/zinc/88/80/07/1013888007.db2.gz	CCJKWFUSGOLAET-KRWDZBQOSA-N	1	0	358.442	1.775	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1CN(CC(=O)N(C)C2CCCCC2)C[C@H]1O	ZINC001193345601	969646582	/nfs/dbraw/zinc/64/65/82/969646582.db2.gz	RKDXQVHGZOALDX-IAGOWNOFSA-N	1	0	365.518	1.541	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCc2cccs2)C[C@H]1O	ZINC001193377436	969669113	/nfs/dbraw/zinc/66/91/13/969669113.db2.gz	SSFXVTFYSREKQY-USXIJHARSA-N	1	0	368.499	1.143	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1CN(Cc2sc(C)nc2C)C[C@H]1O)OCC	ZINC001193422266	969697580	/nfs/dbraw/zinc/69/75/80/969697580.db2.gz	NVNOYPQXFWIREN-OAGGEKHMSA-N	1	0	367.515	1.793	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(F)cc2NC(C)=O)C1	ZINC001193535257	969721899	/nfs/dbraw/zinc/72/18/99/969721899.db2.gz	GJXMHPBSYUXDKI-JBBXEZCESA-N	1	0	363.433	1.914	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COCCc2cccc(F)c2)C1	ZINC001193569718	969741982	/nfs/dbraw/zinc/74/19/82/969741982.db2.gz	YNOXIOVBYYHZNI-QZTJIDSGSA-N	1	0	350.434	1.512	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(NC(C)=O)cn2)C1	ZINC001193577270	969745059	/nfs/dbraw/zinc/74/50/59/969745059.db2.gz	NAATUDGGFTUXJJ-QZTJIDSGSA-N	1	0	360.458	1.561	20	30		FDEDRO
COc1ccc(C#N)c(S(=O)(=O)N[C@H]2CC[N@@H+](C3CCOCC3)C2)c1	ZINC001193706647	969832515	/nfs/dbraw/zinc/83/25/15/969832515.db2.gz	ABKRTESBMCWTQG-AWEZNQCLSA-N	1	0	365.455	1.098	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC(F)(F)F)n2)C1	ZINC001193960900	969937035	/nfs/dbraw/zinc/93/70/35/969937035.db2.gz	HRLMXVXWRWPZFG-IACUBPJLSA-N	1	0	360.380	1.575	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(C(F)(F)F)nc2)C1	ZINC001193989298	969948782	/nfs/dbraw/zinc/94/87/82/969948782.db2.gz	VPKYBTXNRQQVEE-CYZMBNFOSA-N	1	0	358.364	1.625	20	30		FDEDRO
N#Cc1cncc(C(=O)N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)c1	ZINC001194112304	969997805	/nfs/dbraw/zinc/99/78/05/969997805.db2.gz	GKRPKOAQEKBYBX-UHFFFAOYSA-N	1	0	350.382	1.330	20	30		FDEDRO
N#Cc1cncc(C(=O)N(Cc2noc3c2C[NH2+]CC3)c2ncccn2)c1	ZINC001194105811	970021024	/nfs/dbraw/zinc/02/10/24/970021024.db2.gz	ZBUNABMTKYFISI-UHFFFAOYSA-N	1	0	361.365	1.224	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(OC)cccc2OC)C1	ZINC001194437478	970192659	/nfs/dbraw/zinc/19/26/59/970192659.db2.gz	YHQIMEVJKITDGX-DJIMGWMZSA-N	1	0	362.470	1.762	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cnc3ccccc32)C1	ZINC001194534229	970236414	/nfs/dbraw/zinc/23/64/14/970236414.db2.gz	IKOSVAULBWUTRG-SZVBFZGTSA-N	1	0	356.470	1.942	20	30		FDEDRO
N#CCCCOc1cccc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)c1	ZINC000113360689	970409356	/nfs/dbraw/zinc/40/93/56/970409356.db2.gz	AMUNEEZROPCHGD-HNENSFHCSA-N	1	0	354.410	1.985	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc2c(c1)COC2	ZINC001110461670	970424964	/nfs/dbraw/zinc/42/49/64/970424964.db2.gz	CUXMMHQGSDOGDI-QRVBRYPASA-N	1	0	367.449	1.078	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)N(C)C	ZINC001110463055	970510753	/nfs/dbraw/zinc/51/07/53/970510753.db2.gz	PAIINRPEJXMZSI-ZACQAIPSSA-N	1	0	369.531	1.183	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2[C@@H]2CCOC2)C1	ZINC001195007122	970612473	/nfs/dbraw/zinc/61/24/73/970612473.db2.gz	XUUKFGRUVVWHJY-DJIMGWMZSA-N	1	0	364.490	1.659	20	30		FDEDRO
CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC(=O)N(CC)C[C@@H](C)C#N)C1	ZINC000776827236	970656786	/nfs/dbraw/zinc/65/67/86/970656786.db2.gz	STVFRUDXUJRYTA-XHSDSOJGSA-N	1	0	352.479	1.841	20	30		FDEDRO
CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)C1	ZINC000776828166	970661851	/nfs/dbraw/zinc/66/18/51/970661851.db2.gz	PECVALQJYOPVFM-VKJFTORMSA-N	1	0	352.479	1.887	20	30		FDEDRO
C=C(C)[C@H](CO)[N@@H+]1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1	ZINC000776837278	970685820	/nfs/dbraw/zinc/68/58/20/970685820.db2.gz	GPCGAHBVJHQVEB-CVEARBPZSA-N	1	0	367.490	1.467	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3c2nc(C)cc3C)C1	ZINC001195197827	970760036	/nfs/dbraw/zinc/76/00/36/970760036.db2.gz	FWCJZPRSWWXSFI-QZTJIDSGSA-N	1	0	371.485	1.867	20	30		FDEDRO
C#C[C@H]([NH2+][C@H](C)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[C@H]1CCCO1	ZINC000775795801	972551089	/nfs/dbraw/zinc/55/10/89/972551089.db2.gz	ZNRIBPQOKGLBDF-VHDGCEQUSA-N	1	0	373.409	1.265	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCc1ccco1	ZINC001110497184	972566193	/nfs/dbraw/zinc/56/61/93/972566193.db2.gz	OOXZRTNKWDGMKH-JFRXWTBNSA-N	1	0	360.454	1.682	20	30		FDEDRO
COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1	ZINC000775809905	972658212	/nfs/dbraw/zinc/65/82/12/972658212.db2.gz	HEDUXZAKYLHEES-XSWJXKHESA-N	1	0	352.479	1.886	20	30		FDEDRO
CC(=NN1CCOC1=O)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1	ZINC000863162780	972689244	/nfs/dbraw/zinc/68/92/44/972689244.db2.gz	ZEOIPVQEKMGZAD-UHFFFAOYSA-N	1	0	368.459	1.093	20	30		FDEDRO
C[NH+]1CCC2(CC1)NC(=O)N(CN1CCc3c(CC#N)cccc3C1)C2=O	ZINC000863335439	972822211	/nfs/dbraw/zinc/82/22/11/972822211.db2.gz	GTYXIIVMQRGBEF-UHFFFAOYSA-N	1	0	367.453	1.084	20	30		FDEDRO
C[C@H]1CCC[C@H](C)[NH+]1CC(N)=NOCC(=O)NCc1cccc(C#N)c1	ZINC000794529369	972902096	/nfs/dbraw/zinc/90/20/96/972902096.db2.gz	RYGPOUOVCPFOLB-GJZGRUSLSA-N	1	0	357.458	1.936	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1	ZINC000863551964	973008689	/nfs/dbraw/zinc/00/86/89/973008689.db2.gz	UMKBVQFNABRKNR-WMZOPIPTSA-N	1	0	356.470	1.533	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1	ZINC000863551815	973008995	/nfs/dbraw/zinc/00/89/95/973008995.db2.gz	IDCAVXGHKVKLPM-GFCCVEGCSA-N	1	0	369.409	1.192	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H](C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)C1CC1	ZINC000863553636	973011463	/nfs/dbraw/zinc/01/14/63/973011463.db2.gz	GUHFVDMMCPZOCX-HOTGVXAUSA-N	1	0	367.490	1.951	20	30		FDEDRO
COc1cc(OC)cc([C@H](O)C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)c1	ZINC000863559599	973016626	/nfs/dbraw/zinc/01/66/26/973016626.db2.gz	QTQZNZLHXVHMMX-CRAIPNDOSA-N	1	0	364.442	1.398	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccccc2C)C1	ZINC001198459011	973124813	/nfs/dbraw/zinc/12/48/13/973124813.db2.gz	OBHWBEVYVWQRHM-KBAYOESNSA-N	1	0	359.470	1.241	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N	ZINC000794577442	973295204	/nfs/dbraw/zinc/29/52/04/973295204.db2.gz	RAMRDOISNQMHBW-KFWWJZLASA-N	1	0	363.421	1.728	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2nc(C(C)(C)C)no2)C1	ZINC001198622786	973365892	/nfs/dbraw/zinc/36/58/92/973365892.db2.gz	QFMFKTLQMAKDSV-ZIAGYGMSSA-N	1	0	350.463	1.427	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)nn3cccnc23)C1	ZINC001198729557	973428814	/nfs/dbraw/zinc/42/88/14/973428814.db2.gz	SCUGKOLXNYACSF-HZPDHXFCSA-N	1	0	359.474	1.783	20	30		FDEDRO
CCN(CC)c1ccc(/C=[NH+]/C[C@]23COCCN2C(=O)COC3)c(O)c1	ZINC000864349443	973509170	/nfs/dbraw/zinc/50/91/70/973509170.db2.gz	YBIDMNLZMDETQW-DKLCPLSMSA-N	1	0	361.442	1.285	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1	ZINC000120117608	973622265	/nfs/dbraw/zinc/62/22/65/973622265.db2.gz	PKUBQNNYDPLZRW-UHFFFAOYSA-N	1	0	373.388	1.173	20	30		FDEDRO
C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C)c1ccccc1OC	ZINC001198903146	973633583	/nfs/dbraw/zinc/63/35/83/973633583.db2.gz	VQMHBQOMCUYLRT-BBWFWOEESA-N	1	0	359.470	1.743	20	30		FDEDRO
C=CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)c1ccccc1	ZINC001198880965	973651178	/nfs/dbraw/zinc/65/11/78/973651178.db2.gz	QOXBDIMTCIAWPG-XUVXKRRUSA-N	1	0	358.482	1.934	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)CCCCC)C1	ZINC001198912299	973673202	/nfs/dbraw/zinc/67/32/02/973673202.db2.gz	XTPXDPTUXJUQFS-BZUAXINKSA-N	1	0	353.507	1.445	20	30		FDEDRO
C=C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O)c1ccccc1	ZINC001198941111	973717980	/nfs/dbraw/zinc/71/79/80/973717980.db2.gz	YMDSOSMUYAVPMY-DFQSSKMNSA-N	1	0	358.482	1.934	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1	ZINC001199270414	974104745	/nfs/dbraw/zinc/10/47/45/974104745.db2.gz	HKFGHKXRUPRDEA-DAXOMENPSA-N	1	0	359.430	1.979	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(COC)n2)C1	ZINC001199369956	974221755	/nfs/dbraw/zinc/22/17/55/974221755.db2.gz	DRJSRLQFMARINO-UKRRQHHQSA-N	1	0	353.488	1.811	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]C[C@H]1CCC[C@@H]1NS(C)(=O)=O	ZINC000865489582	974324273	/nfs/dbraw/zinc/32/42/73/974324273.db2.gz	FAUFRQBVPFQMOG-ZBFHGGJFSA-N	1	0	350.488	1.432	20	30		FDEDRO
C#CC[C@@H](CC(=O)N[C@@H]1CN(Cc2cnc(C)o2)C[C@H]1O)c1ccccc1	ZINC001199506182	974327293	/nfs/dbraw/zinc/32/72/93/974327293.db2.gz	QEKYKONJLDOMIA-DFQSSKMNSA-N	1	0	367.449	1.842	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@H+](C[C@H](O)COCC(C)C)C[C@H]2O)CCCC1	ZINC001199560775	974368296	/nfs/dbraw/zinc/36/82/96/974368296.db2.gz	ZGCNIZCQAKWYAF-RCCFBDPRSA-N	1	0	368.518	1.318	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]2O)CCCC1	ZINC001199566869	974372608	/nfs/dbraw/zinc/37/26/08/974372608.db2.gz	GYFYFXGFIMKZAX-GVDBMIGSSA-N	1	0	363.502	1.201	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCC(F)(F)F	ZINC001110540165	974459304	/nfs/dbraw/zinc/45/93/04/974459304.db2.gz	FZBAGRJLKHJSEL-BARDWOONSA-N	1	0	360.376	1.061	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH3+])(C(=O)NCc3ccccc3)CC2)[nH]1	ZINC001199684373	974463080	/nfs/dbraw/zinc/46/30/80/974463080.db2.gz	ZCAFTGSUHVZOQL-UHFFFAOYSA-N	1	0	351.410	1.136	20	30		FDEDRO
Cn1cc(C[NH2+]C[C@@]23COC(=O)N2CCOC3)c(-c2ccc(C#N)cc2)n1	ZINC000865770994	974476786	/nfs/dbraw/zinc/47/67/86/974476786.db2.gz	WLRFBEIYVXJUOQ-LJQANCHMSA-N	1	0	367.409	1.270	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COc1ccccc1F	ZINC001110543386	974552042	/nfs/dbraw/zinc/55/20/42/974552042.db2.gz	PLPXVTJZRYPHTP-RWQQGDIJSA-N	1	0	372.440	1.700	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@]2(NC(=O)OC(C)(C)C)CC2(F)F)CC1	ZINC000866016018	974623835	/nfs/dbraw/zinc/62/38/35/974623835.db2.gz	UUXIBGUKVCATJJ-QGZVFWFLSA-N	1	0	371.428	1.893	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccc2c(c1)CCO2	ZINC001110552384	974757093	/nfs/dbraw/zinc/75/70/93/974757093.db2.gz	WVZTUEDHZFHLHI-OBZTUIKSSA-N	1	0	368.477	1.924	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCCOCC)C1	ZINC001200528222	974807420	/nfs/dbraw/zinc/80/74/20/974807420.db2.gz	HGEPWZQMRHSBOC-KSZLIROESA-N	1	0	354.491	1.601	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)N[C@@H](C)CC)CC1	ZINC001200628928	974849101	/nfs/dbraw/zinc/84/91/01/974849101.db2.gz	PNUHCTFZHZECKQ-UAGQMJEPSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCO[C@H]2C(=C)C)CCCO1	ZINC001201619751	975100041	/nfs/dbraw/zinc/10/00/41/975100041.db2.gz	BEQBLTZAGWNIEN-SQNIBIBYSA-N	1	0	352.475	1.377	20	30		FDEDRO
C#C[C@@H]1CCCN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1	ZINC000847308015	975449575	/nfs/dbraw/zinc/44/95/75/975449575.db2.gz	BXHQWPVNZCBWJI-MRXNPFEDSA-N	1	0	356.470	1.533	20	30		FDEDRO
N#C[C@@]1(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CCCOC1	ZINC000866229078	975501151	/nfs/dbraw/zinc/50/11/51/975501151.db2.gz	PLFHRZWOVJTXCW-FQEVSTJZSA-N	1	0	357.454	1.580	20	30		FDEDRO
N#Cc1cccnc1NCCNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1	ZINC000847386711	975563786	/nfs/dbraw/zinc/56/37/86/975563786.db2.gz	GOOCBNSMDVRKNS-MRXNPFEDSA-N	1	0	359.499	1.699	20	30		FDEDRO
CS(=O)(=O)N1CCC([NH2+]C2CCN(c3ccccc3C#N)CC2)CC1	ZINC000866448149	975665072	/nfs/dbraw/zinc/66/50/72/975665072.db2.gz	AEDLZBQDISAABZ-UHFFFAOYSA-N	1	0	362.499	1.541	20	30		FDEDRO
C[NH+]1CCN(CCCCNS(=O)(=O)c2cc(F)cc(C#N)c2)CC1	ZINC000866484873	975708212	/nfs/dbraw/zinc/70/82/12/975708212.db2.gz	GWHMQXJGMAMROE-UHFFFAOYSA-N	1	0	354.451	1.003	20	30		FDEDRO
C#C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)C1	ZINC000847560012	975824916	/nfs/dbraw/zinc/82/49/16/975824916.db2.gz	PJUFCVFSTLQIJY-KRWDZBQOSA-N	1	0	368.481	1.639	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000847605956	975900392	/nfs/dbraw/zinc/90/03/92/975900392.db2.gz	LGOBVPNOFXWBEU-NVXWUHKLSA-N	1	0	373.428	1.909	20	30		FDEDRO
N#CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1	ZINC000847605642	975900934	/nfs/dbraw/zinc/90/09/34/975900934.db2.gz	FIYSTFLMBJRHTE-IAGOWNOFSA-N	1	0	356.426	1.661	20	30		FDEDRO
C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C1	ZINC000847738142	976013789	/nfs/dbraw/zinc/01/37/89/976013789.db2.gz	HAWQXSULRAOPOD-RDTXWAMCSA-N	1	0	368.478	1.146	20	30		FDEDRO
CN1C(=O)CC[C@@H]1C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000847746356	976016785	/nfs/dbraw/zinc/01/67/85/976016785.db2.gz	FHPOVJJVHMQECX-QGZVFWFLSA-N	1	0	355.438	1.956	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O	ZINC001110593142	976063803	/nfs/dbraw/zinc/06/38/03/976063803.db2.gz	KPGHMVQYGQCIQY-ZACQAIPSSA-N	1	0	359.470	1.625	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2cc(F)cc(C#N)c2)CCO1	ZINC000867537732	976332775	/nfs/dbraw/zinc/33/27/75/976332775.db2.gz	QGLIBQLUELUQPE-OAHLLOKOSA-N	1	0	355.435	1.429	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C)cc1	ZINC000958169259	1014322751	/nfs/dbraw/zinc/32/27/51/1014322751.db2.gz	JUXPPGKKXRONCM-YLJYHZDGSA-N	1	0	367.493	1.977	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N1CCc2c(cccc2N2CCOC2=O)C1	ZINC000848403279	976720706	/nfs/dbraw/zinc/72/07/06/976720706.db2.gz	PYXGZMNGWRSBGJ-INIZCTEOSA-N	1	0	356.426	1.939	20	30		FDEDRO
C[NH+](C)CCCS(=O)(=O)N1CCN(c2ccc(F)cc2C#N)CC1	ZINC000867816623	976929107	/nfs/dbraw/zinc/92/91/07/976929107.db2.gz	KLHINSVWJRAWBE-UHFFFAOYSA-N	1	0	354.451	1.101	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC(OC[C@H]2CCCO2)CC1	ZINC000867942668	977120353	/nfs/dbraw/zinc/12/03/53/977120353.db2.gz	FFEBTCRQJYMDGR-UYAOXDASSA-N	1	0	369.465	1.932	20	30		FDEDRO
COc1ccccc1OCCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000867947794	977128114	/nfs/dbraw/zinc/12/81/14/977128114.db2.gz	VHNFCTAJDCWUQV-LJQANCHMSA-N	1	0	351.406	1.949	20	30		FDEDRO
Cc1nn(C)c(C)c1CCCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000867980754	977164545	/nfs/dbraw/zinc/16/45/45/977164545.db2.gz	ZLHWENRNUIMBMA-IBGZPJMESA-N	1	0	351.454	1.844	20	30		FDEDRO
COC(=O)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000867979853	977164701	/nfs/dbraw/zinc/16/47/01/977164701.db2.gz	OZUGMGYQBKDJFH-QFBILLFUSA-N	1	0	371.437	1.316	20	30		FDEDRO
CCCCCCCCCCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000848929317	977241310	/nfs/dbraw/zinc/24/13/10/977241310.db2.gz	DOGWNQUHLUYCOL-DLBZAZTESA-N	1	0	353.507	1.521	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NCCCC[NH+]3CCOCC3)CC2)cc1	ZINC000868103175	977287896	/nfs/dbraw/zinc/28/78/96/977287896.db2.gz	PJTHHNRHHJSYHF-UHFFFAOYSA-N	1	0	371.485	1.502	20	30		FDEDRO
Cc1ncc(CCNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)s1	ZINC000849105558	977317418	/nfs/dbraw/zinc/31/74/18/977317418.db2.gz	URCCTZKOXPQGMH-ZDUSSCGKSA-N	1	0	365.503	1.875	20	30		FDEDRO
CCNC(NCC1(N2CCN(c3ccccc3)CC2)CCOCC1)=[NH+]CC	ZINC000849109647	977319709	/nfs/dbraw/zinc/31/97/09/977319709.db2.gz	CIYALKWTFUKRSW-UHFFFAOYSA-N	1	0	373.545	1.933	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1C#N	ZINC000868251510	977395302	/nfs/dbraw/zinc/39/53/02/977395302.db2.gz	RYJUNJATUWFXAF-CABCVRRESA-N	1	0	370.453	1.744	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCc3c(CC(N)=O)cccc3C2)CC1	ZINC000868284029	977443825	/nfs/dbraw/zinc/44/38/25/977443825.db2.gz	NVYLTJQCRIXCSC-UHFFFAOYSA-N	1	0	356.470	1.433	20	30		FDEDRO
C#CCOc1ccc(NC(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)cc1	ZINC000108520707	977460404	/nfs/dbraw/zinc/46/04/04/977460404.db2.gz	LTACUAYZVMHXJA-UHFFFAOYSA-N	1	0	372.469	1.717	20	30		FDEDRO
COc1cc(C#N)ccc1OC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1	ZINC000849490637	977682670	/nfs/dbraw/zinc/68/26/70/977682670.db2.gz	VOJOKBKNNSCCFI-CVEARBPZSA-N	1	0	354.410	1.941	20	30		FDEDRO
C=CCn1cc(CNC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)nn1	ZINC000849606383	977837136	/nfs/dbraw/zinc/83/71/36/977837136.db2.gz	OSUOLELSFNFPMR-MSOLQXFVSA-N	1	0	371.489	1.328	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NC1CCN(CC(=O)OC(C)(C)C)CC1	ZINC000868653095	977870030	/nfs/dbraw/zinc/87/00/30/977870030.db2.gz	QFHJVGWHTYGLIM-UHFFFAOYSA-N	1	0	366.506	1.047	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCOC)OCC	ZINC001110616828	978039330	/nfs/dbraw/zinc/03/93/30/978039330.db2.gz	SNDBGUUIUKFMGT-BDXSIMOUSA-N	1	0	354.491	1.742	20	30		FDEDRO
N#Cc1cc2c(n(C[C@H]3CNC(=O)O3)c1=O)CC[N@H+](Cc1ccccc1)C2	ZINC000850003299	978097370	/nfs/dbraw/zinc/09/73/70/978097370.db2.gz	YLVCHHWTJCRPOK-QGZVFWFLSA-N	1	0	364.405	1.387	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)COC(=O)CC2(C#N)CCOCC2)CC1	ZINC000850297501	978295303	/nfs/dbraw/zinc/29/53/03/978295303.db2.gz	NMQZNOILXWBYQX-UHFFFAOYSA-N	1	0	351.447	1.229	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1	ZINC000850805546	978677827	/nfs/dbraw/zinc/67/78/27/978677827.db2.gz	OXEGBHDADXRHJP-CYBMUJFWSA-N	1	0	368.231	1.311	20	30		FDEDRO
CCOC(=O)Nc1ccc(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])cc1C#N	ZINC000850830500	978688300	/nfs/dbraw/zinc/68/83/00/978688300.db2.gz	KIBNPDGCHGXEOZ-UHFFFAOYSA-N	1	0	361.402	1.261	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCN1C(=O)CCC1=O)C2	ZINC001110627853	978755963	/nfs/dbraw/zinc/75/59/63/978755963.db2.gz	WKNFEJFYNHXMAS-VQHPVUNQSA-N	1	0	361.486	1.992	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1CN(C(=O)C[N@H+](C)C2CCC2)C1	ZINC000968001227	1014538598	/nfs/dbraw/zinc/53/85/98/1014538598.db2.gz	PSVVNIGWOWYINZ-HKUYNNGSSA-N	1	0	363.502	1.511	20	30		FDEDRO
C[C@@H](C[NH3+])NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000851664320	978989380	/nfs/dbraw/zinc/98/93/80/978989380.db2.gz	WRXKFPFJGPWGKH-ZDUSSCGKSA-N	1	0	353.430	1.127	20	30		FDEDRO
C#C[C@H](NC(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1)c1ccc(F)cc1	ZINC000851678505	978993875	/nfs/dbraw/zinc/99/38/75/978993875.db2.gz	AKKNDQMUBZDJMP-SFHVURJKSA-N	1	0	374.460	1.790	20	30		FDEDRO
N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@H+]2CC[C@H](CF)C2)CC1	ZINC000880299772	979078605	/nfs/dbraw/zinc/07/86/05/979078605.db2.gz	XRPDFXQYGZXVGB-QAPCUYQASA-N	1	0	362.424	1.826	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CC[NH+](CCCOC(C)(C)C)CC1	ZINC000880412469	979171629	/nfs/dbraw/zinc/17/16/29/979171629.db2.gz	SPBPUANCIPNSHG-HNNXBMFYSA-N	1	0	354.495	1.210	20	30		FDEDRO
C#CCC1(O)CC[NH+](C[C@H](O)COc2ccc(C(C)=O)cc2OC)CC1	ZINC000880477737	979218561	/nfs/dbraw/zinc/21/85/61/979218561.db2.gz	UKTJSDAXDUZRFI-KRWDZBQOSA-N	1	0	361.438	1.488	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000968009802	1014560974	/nfs/dbraw/zinc/56/09/74/1014560974.db2.gz	CFXPROORXABUJZ-DDBAPUKQSA-N	1	0	363.502	1.367	20	30		FDEDRO
C#C[C@H](NC(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C)C1CCOCC1	ZINC000852114027	979359993	/nfs/dbraw/zinc/35/99/93/979359993.db2.gz	BCQOTZIVAVNYAJ-WDSOQIARSA-N	1	0	365.518	1.851	20	30		FDEDRO
C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)C1	ZINC000880931000	979532036	/nfs/dbraw/zinc/53/20/36/979532036.db2.gz	ZWQISQWVOFCDFP-UKRRQHHQSA-N	1	0	356.348	1.527	20	30		FDEDRO
CN1c2ccccc2C(C)(C)/C1=C/C(=O)Cn1cc(CC[C@H](O)C[NH3+])nn1	ZINC000880983277	979562174	/nfs/dbraw/zinc/56/21/74/979562174.db2.gz	LZHNSELXBCDAMN-HNIBHBHRSA-N	1	0	369.469	1.411	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000881130862	979704498	/nfs/dbraw/zinc/70/44/98/979704498.db2.gz	QFAQZJBJRVAQAV-MJGOQNOKSA-N	1	0	356.470	1.867	20	30		FDEDRO
N#Cc1ccccc1OCC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1	ZINC000881621585	980015239	/nfs/dbraw/zinc/01/52/39/980015239.db2.gz	CAVSHGZGWDKRTB-UHFFFAOYSA-N	1	0	370.453	1.269	20	30		FDEDRO
N#CCc1cccc(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1	ZINC000881622843	980017422	/nfs/dbraw/zinc/01/74/22/980017422.db2.gz	UCKGGEFOCRYZMP-UHFFFAOYSA-N	1	0	354.454	1.699	20	30		FDEDRO
N#CCc1ccc(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1	ZINC000881623247	980018520	/nfs/dbraw/zinc/01/85/20/980018520.db2.gz	HNGCGCXYELCPIT-UHFFFAOYSA-N	1	0	354.454	1.699	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3cccc(C#Cc4ccccn4)c3)[C@@H]2C1	ZINC000645618538	1014630295	/nfs/dbraw/zinc/63/02/95/1014630295.db2.gz	LBOMZYPQMZLRCL-FXAWDEMLSA-N	1	0	374.444	1.582	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cccc(CC#N)n2)CC1=O	ZINC000882475164	980660771	/nfs/dbraw/zinc/66/07/71/980660771.db2.gz	GYQUBNJUCIWRQL-ZBFHGGJFSA-N	1	0	355.442	1.419	20	30		FDEDRO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1ncc(C#N)cc1Br	ZINC000882517579	980695480	/nfs/dbraw/zinc/69/54/80/980695480.db2.gz	STDKXMJYTMMEAM-JTQLQIEISA-N	1	0	352.236	1.272	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1	ZINC000882523333	980699521	/nfs/dbraw/zinc/69/95/21/980699521.db2.gz	MGUWPSPLRUTRDR-LJQANCHMSA-N	1	0	356.466	1.561	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C	ZINC000780466544	981792370	/nfs/dbraw/zinc/79/23/70/981792370.db2.gz	RUWCXRLUJUPSTJ-MRXNPFEDSA-N	1	0	359.470	1.685	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]1OC	ZINC001213310402	981849611	/nfs/dbraw/zinc/84/96/11/981849611.db2.gz	MKBPEGFLRJSSQW-RCCFBDPRSA-N	1	0	354.491	1.029	20	30		FDEDRO
N#Cc1nc(NC(=O)NCC[N@@H+]2CCCOCC2)ccc1Br	ZINC000883103825	981948416	/nfs/dbraw/zinc/94/84/16/981948416.db2.gz	HBGVQRUISMUZRP-UHFFFAOYSA-N	1	0	368.235	1.560	20	30		FDEDRO
C=CCC[C@@H]([NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)[C@H]1CCCO1	ZINC000883184090	982001450	/nfs/dbraw/zinc/00/14/50/982001450.db2.gz	PBJCGBZTZMZTDN-QZTJIDSGSA-N	1	0	373.501	1.619	20	30		FDEDRO
C#CCOc1ccc([C@H](C)[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)cc1	ZINC000858465772	982065162	/nfs/dbraw/zinc/06/51/62/982065162.db2.gz	MQZNQALFUZWVPO-LAUBAEHRSA-N	1	0	358.482	1.965	20	30		FDEDRO
C=C(C)C[C@H](CO)NC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000883313482	982065866	/nfs/dbraw/zinc/06/58/66/982065866.db2.gz	FKAAFWIOGVANCX-MOPGFXCFSA-N	1	0	360.502	1.601	20	30		FDEDRO
COc1cccc([C@@H]2C[NH2+]CCN2C(=O)Nc2ccn(CCC#N)n2)c1	ZINC000883541804	982256621	/nfs/dbraw/zinc/25/66/21/982256621.db2.gz	SGFWVHBAAGUWME-INIZCTEOSA-N	1	0	354.414	1.984	20	30		FDEDRO
C#C[C@H](NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccccc1	ZINC000883704456	982397966	/nfs/dbraw/zinc/39/79/66/982397966.db2.gz	LHZJIVKDCHFGPR-UXHICEINSA-N	1	0	370.497	1.457	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000859028343	982467243	/nfs/dbraw/zinc/46/72/43/982467243.db2.gz	OFPHRLITPUDCFI-LJQANCHMSA-N	1	0	354.454	1.814	20	30		FDEDRO
C=C(C)C[C@@H](CO)NC(=O)NC[C@H]1CN(Cc2cccc(C)c2)CCO1	ZINC000883804189	982482676	/nfs/dbraw/zinc/48/26/76/982482676.db2.gz	YHVNGHRNUXGABF-OALUTQOASA-N	1	0	361.486	1.822	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(S(N)(=O)=O)o1)C2	ZINC001110765821	982553426	/nfs/dbraw/zinc/55/34/26/982553426.db2.gz	SBBBKJATJINHIO-SYQHCUMBSA-N	1	0	367.471	1.617	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)C(=O)NC(C)(C)CC)CC1	ZINC001202559839	982557591	/nfs/dbraw/zinc/55/75/91/982557591.db2.gz	QBEMBNBTVSNFPM-OIISXLGYSA-N	1	0	365.518	1.851	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2OCC[C@H]2C)C3)CC1	ZINC001006372297	982564228	/nfs/dbraw/zinc/56/42/28/982564228.db2.gz	SRMIJVLPIOUWKV-DBDQLMEASA-N	1	0	373.497	1.005	20	30		FDEDRO
COC(=O)N1CCC([C@@H](C)[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CC1	ZINC000859259249	982653428	/nfs/dbraw/zinc/65/34/28/982653428.db2.gz	GJEHDEGGQHJTLL-ZBFHGGJFSA-N	1	0	353.463	1.514	20	30		FDEDRO
CC[NH+](CC)CCCOC(=O)C/N=C1/NS(=O)(=O)c2ccccc21	ZINC000800096282	982735065	/nfs/dbraw/zinc/73/50/65/982735065.db2.gz	JCGJXHGHBQDVMC-UHFFFAOYSA-N	1	0	353.444	1.000	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1ccccc1C(=O)N1CCOCC1)C2	ZINC000884067053	982813050	/nfs/dbraw/zinc/81/30/50/982813050.db2.gz	SUMKGLRTRZFKPO-CHWWFWEZSA-N	1	0	368.437	1.237	20	30		FDEDRO
C=CC[C@@H]1CC[N@@H+](CC(=O)NN2C(=O)N[C@](CC)(c3ccccc3)C2=O)C1	ZINC000859445942	982814997	/nfs/dbraw/zinc/81/49/97/982814997.db2.gz	WKWJHKULZHIQFY-FOIQADDNSA-N	1	0	370.453	1.773	20	30		FDEDRO
CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884086068	982843619	/nfs/dbraw/zinc/84/36/19/982843619.db2.gz	MCYCOVHOBFMAJG-BATSVXPKSA-N	1	0	366.465	1.677	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1cccc(CN3CCOC3=O)c1)C2	ZINC000884087687	982845371	/nfs/dbraw/zinc/84/53/71/982845371.db2.gz	KWVTZLPJKKUMMV-XAUUPUKJSA-N	1	0	354.410	1.717	20	30		FDEDRO
CN(Cc1cnn(-c2ccccc2)n1)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884090130	982851236	/nfs/dbraw/zinc/85/12/36/982851236.db2.gz	KLLUFIRRXILCNG-HVEKOLDVSA-N	1	0	350.426	1.365	20	30		FDEDRO
CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1	ZINC000884099612	982864607	/nfs/dbraw/zinc/86/46/07/982864607.db2.gz	UFUJZWPLBZMPAC-OJTJJIOLSA-N	1	0	360.502	1.669	20	30		FDEDRO
CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1	ZINC000884115071	982890003	/nfs/dbraw/zinc/89/00/03/982890003.db2.gz	IQIIRVFCUVVLPY-FIAFPZFSSA-N	1	0	360.502	1.669	20	30		FDEDRO
N#CC1(CCC[NH+]2CCN(CC(=O)N3CCCCC3)CC2)CCOCC1	ZINC000331493635	982891954	/nfs/dbraw/zinc/89/19/54/982891954.db2.gz	KSFBGSCYAKDQCO-UHFFFAOYSA-N	1	0	362.518	1.717	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)/C=C/c2ccc(S(C)(=O)=O)o2)CC1	ZINC000859524658	982894704	/nfs/dbraw/zinc/89/47/04/982894704.db2.gz	DHTNMFZCZICZOP-FNORWQNLSA-N	1	0	350.440	1.300	20	30		FDEDRO
COc1ccc(COCCCNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1	ZINC000884122697	982905717	/nfs/dbraw/zinc/90/57/17/982905717.db2.gz	XJKHCORPDXEDTJ-OHTSDLOESA-N	1	0	357.454	1.857	20	30		FDEDRO
CC(C)[C@@H](C(=O)OCC#CCN1C(=O)c2ccccc2C1=O)[NH+]1CCCC1	ZINC000859567522	982921929	/nfs/dbraw/zinc/92/19/29/982921929.db2.gz	RTGPJIDGYUUUDL-SFHVURJKSA-N	1	0	368.433	1.950	20	30		FDEDRO
CC(C)Oc1ccc([C@@H](O)CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc1	ZINC000884144131	982925143	/nfs/dbraw/zinc/92/51/43/982925143.db2.gz	BRDGVNLGQCLZKV-OUBFZGACSA-N	1	0	357.454	1.763	20	30		FDEDRO
C[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1cn(-c2ccccc2)nn1	ZINC000884174258	982946976	/nfs/dbraw/zinc/94/69/76/982946976.db2.gz	MOANJIZJZUYVIY-MLBPIDQTSA-N	1	0	350.426	1.584	20	30		FDEDRO
COc1cccc(N2CC[C@@H](NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)C2)c1	ZINC000884210279	982986647	/nfs/dbraw/zinc/98/66/47/982986647.db2.gz	VNGXZKGEQMBCLI-KMFGOTIKSA-N	1	0	354.454	1.529	20	30		FDEDRO
N#Cc1ccc(C2([NH2+]CC(=O)NCc3ccccn3)CCOCC2)cc1	ZINC000859881523	983060011	/nfs/dbraw/zinc/06/00/11/983060011.db2.gz	HBUHNLMEABHKHP-UHFFFAOYSA-N	1	0	350.422	1.865	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N1CC[N@H+](Cc2ccccc2)[C@H](CC)C1	ZINC000884322895	983084314	/nfs/dbraw/zinc/08/43/14/983084314.db2.gz	YHQWZVWLBJQMML-MSOLQXFVSA-N	1	0	359.470	1.556	20	30		FDEDRO
CN1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[C@H](Cc2ccccc2)C1	ZINC000884386858	983132014	/nfs/dbraw/zinc/13/20/14/983132014.db2.gz	BKTUEHPZINVZFE-KYBDOYODSA-N	1	0	352.482	1.511	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccnc(N3CCSCC3)c1)C2	ZINC000884463374	983170757	/nfs/dbraw/zinc/17/07/57/983170757.db2.gz	FMSOIAMEVISUPB-WUJZJPHMSA-N	1	0	371.510	1.390	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F)c1ccc(C#N)cc1	ZINC000884542281	983233350	/nfs/dbraw/zinc/23/33/50/983233350.db2.gz	ZNJRWENUFLNFGA-SMDDNHRTSA-N	1	0	350.369	1.096	20	30		FDEDRO
C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	ZINC000884551457	983239624	/nfs/dbraw/zinc/23/96/24/983239624.db2.gz	AWQVWLPOHFSGQZ-WFASDCNBSA-N	1	0	368.462	1.851	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)c(F)c1	ZINC000884585740	983261508	/nfs/dbraw/zinc/26/15/08/983261508.db2.gz	SMBLYXHEULUVNE-QGZVFWFLSA-N	1	0	366.396	1.144	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H](Nc2ccc(S(N)(=O)=O)cc2C(F)(F)F)C1	ZINC000884612644	983276820	/nfs/dbraw/zinc/27/68/20/983276820.db2.gz	QOABOBFHUYCKMZ-LLVKDONJSA-N	1	0	361.389	1.862	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCN2CCCC2=O)c[nH]1	ZINC001095331215	983278091	/nfs/dbraw/zinc/27/80/91/983278091.db2.gz	HVDGNJNPKDMXTG-IKGGRYGDSA-N	1	0	355.442	1.234	20	30		FDEDRO
Cc1cc(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c(C#N)cc1N(C)C	ZINC000861121082	983612959	/nfs/dbraw/zinc/61/29/59/983612959.db2.gz	QDTYJNKTQDAROJ-INIZCTEOSA-N	1	0	372.473	1.394	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1	ZINC000861656573	983802998	/nfs/dbraw/zinc/80/29/98/983802998.db2.gz	QGHJALJUKFKEQU-CABCVRRESA-N	1	0	350.463	1.555	20	30		FDEDRO
C#C[C@H](NC(=O)NCCOCCC[NH3+])c1ccc(Br)cc1	ZINC000861693005	983831683	/nfs/dbraw/zinc/83/16/83/983831683.db2.gz	NVRGFVIVMQDHPI-AWEZNQCLSA-N	1	0	354.248	1.788	20	30		FDEDRO
O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1	ZINC000861713551	983857285	/nfs/dbraw/zinc/85/72/85/983857285.db2.gz	CLYCQLLVWMADSN-CVEARBPZSA-N	1	0	352.356	1.724	20	30		FDEDRO
C[C@H](CNC(=O)Nc1ccc(F)cc1OCC#N)C[NH+]1CCN(C)CC1	ZINC000135340606	984670750	/nfs/dbraw/zinc/67/07/50/984670750.db2.gz	UJJWJBYRKIUUDB-CQSZACIVSA-N	1	0	363.437	1.733	20	30		FDEDRO
CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1	ZINC000869777562	985324591	/nfs/dbraw/zinc/32/45/91/985324591.db2.gz	JNBIGQAUHFOJEU-CVEARBPZSA-N	1	0	374.460	1.485	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N(C)CC[NH+]1CCCCC1	ZINC000653395840	1015124667	/nfs/dbraw/zinc/12/46/67/1015124667.db2.gz	LXNNIYMJZXPSAJ-UHFFFAOYSA-N	1	0	359.470	1.812	20	30		FDEDRO
N#CC1(C[C@@H](O)CN2CCC[N@H+](C[C@H](O)CC3(C#N)CCC3)CC2)CCC1	ZINC000885940669	985790860	/nfs/dbraw/zinc/79/08/60/985790860.db2.gz	OUTHXTCNLOSOBC-RTBURBONSA-N	1	0	374.529	1.884	20	30		FDEDRO
CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)C[C@@H](O)CC2(C#N)CCC2)CC1	ZINC000886207782	985971175	/nfs/dbraw/zinc/97/11/75/985971175.db2.gz	MADCOUVZRFEDJO-WBVHZDCISA-N	1	0	371.547	1.813	20	30		FDEDRO
N#CC1(NC(=O)C[NH2+][C@@]2(CO)CCCN(Cc3ccccc3)C2)CCC1	ZINC000886416127	986185531	/nfs/dbraw/zinc/18/55/31/986185531.db2.gz	XFKJANGGHVGMSY-FQEVSTJZSA-N	1	0	356.470	1.166	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C)C[C@H]1Cc1ccccc1	ZINC000653434687	1015199277	/nfs/dbraw/zinc/19/92/77/1015199277.db2.gz	IYNKJCSIRMHMBD-OTWHNJEPSA-N	1	0	371.481	1.079	20	30		FDEDRO
C#CCN(C(=O)[C@H]1CSC(c2ccccc2O)=N1)C1CC[NH+](C)CC1	ZINC000886575660	986376575	/nfs/dbraw/zinc/37/65/75/986376575.db2.gz	DIOYJSFJPZCEBF-MRXNPFEDSA-N	1	0	357.479	1.810	20	30		FDEDRO
C#CCN(C(=O)c1ccc(C)c(NS(C)(=O)=O)c1)C1CC[NH+](C)CC1	ZINC000886585058	986389157	/nfs/dbraw/zinc/38/91/57/986389157.db2.gz	FOWIEGDKTATXEO-UHFFFAOYSA-N	1	0	363.483	1.536	20	30		FDEDRO
C#CCN(C(=O)C1CCN(C(=O)c2cccnc2)CC1)C1CC[NH+](C)CC1	ZINC000886585035	986389573	/nfs/dbraw/zinc/38/95/73/986389573.db2.gz	DPJASXYQNHOEPG-UHFFFAOYSA-N	1	0	368.481	1.490	20	30		FDEDRO
CCO[C@H]1C[C@]([NH3+])(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)C1(C)C	ZINC000870981714	986559237	/nfs/dbraw/zinc/55/92/37/986559237.db2.gz	QKTSJOURVPIKNL-PXNSSMCTSA-N	1	0	356.470	1.739	20	30		FDEDRO
C=CCn1c(-c2cn[nH]c2)nnc1N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000871050499	986617342	/nfs/dbraw/zinc/61/73/42/986617342.db2.gz	FQJVFUSQPIIQBA-UHFFFAOYSA-N	1	0	356.478	1.070	20	30		FDEDRO
C=CCn1c(-c2cnn(C)c2)nnc1N(CCOC)CC1CC[NH+](C)CC1	ZINC000871054290	986622167	/nfs/dbraw/zinc/62/21/67/986622167.db2.gz	PQLFWDKXBKLFNX-UHFFFAOYSA-N	1	0	373.505	1.659	20	30		FDEDRO
COCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1	ZINC000871081683	986652030	/nfs/dbraw/zinc/65/20/30/986652030.db2.gz	AXXGHWNXQLZTID-ZWKOTPCHSA-N	1	0	366.469	1.994	20	30		FDEDRO
C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]2[C@H](CC[N@H+]2C)C1	ZINC000871089013	986661631	/nfs/dbraw/zinc/66/16/31/986661631.db2.gz	KJIVLVFQAGSVOS-CVEARBPZSA-N	1	0	358.490	1.621	20	30		FDEDRO
C=C(C)[C@H](CO)[N@H+]1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1	ZINC000886882363	986684453	/nfs/dbraw/zinc/68/44/53/986684453.db2.gz	OVHCMXYRSFBKAV-LPRCSBTHSA-N	1	0	353.459	1.766	20	30		FDEDRO
CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000886891919	986696355	/nfs/dbraw/zinc/69/63/55/986696355.db2.gz	LBHYUYILAYUECG-LLVKDONJSA-N	1	0	358.261	1.693	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCN(c2ccc(C#N)nc2)CC1	ZINC000871677015	987191435	/nfs/dbraw/zinc/19/14/35/987191435.db2.gz	RUONZBKPKPGXLJ-INIZCTEOSA-N	1	0	358.515	1.434	20	30		FDEDRO
C#CCN1CCN(C(=O)CN2CCN(c3cccc(F)c3)C[C@@H]2C)CC1	ZINC000795186554	987196985	/nfs/dbraw/zinc/19/69/85/987196985.db2.gz	AEKYGRDIFAGRRS-KRWDZBQOSA-N	1	0	358.461	1.114	20	30		FDEDRO
N#CCc1ccc(CS(=O)(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1	ZINC000871813038	987264225	/nfs/dbraw/zinc/26/42/25/987264225.db2.gz	NQFHVNMKELZXLO-ZIAGYGMSSA-N	1	0	361.389	1.651	20	30		FDEDRO
N#Cc1c(Cl)cccc1S(=O)(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1	ZINC000871812896	987264488	/nfs/dbraw/zinc/26/44/88/987264488.db2.gz	DKJIJPDPMYNSHV-WPRPVWTQSA-N	1	0	367.780	1.969	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH+]1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2	ZINC000871994488	987419879	/nfs/dbraw/zinc/41/98/79/987419879.db2.gz	UYUJEDZALSNSEF-MRXNPFEDSA-N	1	0	366.506	1.526	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1	ZINC000872187312	987488641	/nfs/dbraw/zinc/48/86/41/987488641.db2.gz	UGKNFLYOWISDHL-ZIAGYGMSSA-N	1	0	368.359	1.112	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1	ZINC000888596659	987518940	/nfs/dbraw/zinc/51/89/40/987518940.db2.gz	CDKUQSVOWHEOMR-MSOLQXFVSA-N	1	0	365.518	1.867	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C	ZINC000872223206	987524925	/nfs/dbraw/zinc/52/49/25/987524925.db2.gz	OCXHDGITTSZTBV-HOTGVXAUSA-N	1	0	368.522	1.818	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)cc1	ZINC000872230519	987530055	/nfs/dbraw/zinc/53/00/55/987530055.db2.gz	DESYZAKAOIWPOA-HKUYNNGSSA-N	1	0	360.454	1.668	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O	ZINC000872246872	987540524	/nfs/dbraw/zinc/54/05/24/987540524.db2.gz	OIYZYYXOWYOSII-ZCJOQKPTSA-N	1	0	364.467	1.243	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H]3[C@@H]2C(C)(C)[C@H]3O)CC1	ZINC000872262187	987556754	/nfs/dbraw/zinc/55/67/54/987556754.db2.gz	SJOAOKQGVMQWTA-DKKFBQAASA-N	1	0	362.518	1.160	20	30		FDEDRO
COC(=O)c1cccc2c(C=NNC(=S)NCCC[NH+](C)C)ccnc12	ZINC000872351929	987615015	/nfs/dbraw/zinc/61/50/15/987615015.db2.gz	WWJZQFVFGJWAPJ-UHFFFAOYSA-N	1	0	373.482	1.771	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N1CCN(c2cc[nH+]cc2OC)CC1	ZINC000796574104	1015325125	/nfs/dbraw/zinc/32/51/25/1015325125.db2.gz	CIMLMZDNKJPXCX-IBGZPJMESA-N	1	0	366.421	1.998	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)c(C#N)c1	ZINC000872455711	987677707	/nfs/dbraw/zinc/67/77/07/987677707.db2.gz	ZIUMNDDMTRMLSA-QGZVFWFLSA-N	1	0	364.515	1.417	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)Cn1cc2c(c(C#N)c1=O)CCC2	ZINC000872634146	987888596	/nfs/dbraw/zinc/88/85/96/987888596.db2.gz	WWHMHACXXHISGH-UHFFFAOYSA-N	1	0	358.486	1.456	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(CN3CC(=O)N(Cc4ccc(C#N)cc4)C3=O)CC[C@H]21	ZINC000872725188	988010492	/nfs/dbraw/zinc/01/04/92/988010492.db2.gz	CLNKNXLKWMUYSP-QZTJIDSGSA-N	1	0	367.453	1.306	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2	ZINC000293321498	988034418	/nfs/dbraw/zinc/03/44/18/988034418.db2.gz	JYOWDTMPCFFSCO-QRWLVFNGSA-N	1	0	370.453	1.860	20	30		FDEDRO
CC#CCN(C)C(=O)C(=O)Nc1cccc(C(=O)NCC[NH+](CC)CC)c1	ZINC000293426669	988070609	/nfs/dbraw/zinc/07/06/09/988070609.db2.gz	LHCOYITWVLXUGK-UHFFFAOYSA-N	1	0	372.469	1.178	20	30		FDEDRO
CN(CCCN1CC[NH+](C)CC1)C(=O)c1cnc(C(F)(F)F)c(C#N)c1	ZINC000293678467	988158159	/nfs/dbraw/zinc/15/81/59/988158159.db2.gz	NTBXUMCUVZQEQA-UHFFFAOYSA-N	1	0	369.391	1.682	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)CC1	ZINC000872881269	988229431	/nfs/dbraw/zinc/22/94/31/988229431.db2.gz	NONWTSGFFDXDNA-GJZGRUSLSA-N	1	0	355.504	1.103	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C	ZINC000872888747	988241100	/nfs/dbraw/zinc/24/11/00/988241100.db2.gz	OLLYNSCWQWMWIH-INIZCTEOSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000872967122	988349839	/nfs/dbraw/zinc/34/98/39/988349839.db2.gz	ASMVBLUPVQHZBK-MRXNPFEDSA-N	1	0	353.507	1.664	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(CC(=O)N(CCC#N)c3ccccc3)CC2)C1	ZINC000361432103	988379608	/nfs/dbraw/zinc/37/96/08/988379608.db2.gz	ZUUWMUZKASZIPU-HXUWFJFHSA-N	1	0	369.513	1.645	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1	ZINC000361453042	988385903	/nfs/dbraw/zinc/38/59/03/988385903.db2.gz	XJGNSVYLLOOIAP-INIZCTEOSA-N	1	0	373.428	1.863	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1	ZINC000873104377	988556473	/nfs/dbraw/zinc/55/64/73/988556473.db2.gz	MLSWPZOLVQXQAJ-RISCZKNCSA-N	1	0	369.343	1.233	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1F	ZINC000873108684	988573935	/nfs/dbraw/zinc/57/39/35/988573935.db2.gz	ZYNMCWWLYALORB-MWLCHTKSSA-N	1	0	358.295	1.231	20	30		FDEDRO
N#CCCN(CCN1CCOCC1)C(=O)c1cccc(C[NH+]2CCCC2)c1	ZINC000299585893	988609834	/nfs/dbraw/zinc/60/98/34/988609834.db2.gz	ZKYZFPAVUMNMMF-UHFFFAOYSA-N	1	0	370.497	1.970	20	30		FDEDRO
CC1(C[NH+]2CCOCC2)CCN(C(=O)COc2ccc(C#N)cc2)CC1	ZINC000362274661	988620430	/nfs/dbraw/zinc/62/04/30/988620430.db2.gz	FNSSCWDSNXXCHT-UHFFFAOYSA-N	1	0	357.454	1.898	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1	ZINC000366706603	988752876	/nfs/dbraw/zinc/75/28/76/988752876.db2.gz	ZWLWNSADEPJUJW-FHWLQOOXSA-N	1	0	364.534	1.779	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CCCN(c3cc(C(=O)OC)ccn3)CC2)C1=O	ZINC000366843408	988812971	/nfs/dbraw/zinc/81/29/71/988812971.db2.gz	FXDXNLFIFCUXGQ-MRXNPFEDSA-N	1	0	358.442	1.167	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC(=O)N[C@H]2CCOc3ccccc32)CC1	ZINC000367058033	988911330	/nfs/dbraw/zinc/91/13/30/988911330.db2.gz	PIKKFBSHYXPOBA-KRWDZBQOSA-N	1	0	355.438	1.088	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1	ZINC000367266661	988943737	/nfs/dbraw/zinc/94/37/37/988943737.db2.gz	IOPVLBZDLJJODA-KRWDZBQOSA-N	1	0	353.466	1.610	20	30		FDEDRO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCC[C@]23CCOC3)CC1	ZINC000367456545	988951958	/nfs/dbraw/zinc/95/19/58/988951958.db2.gz	BZJFNCLRWGWTKC-QFBILLFUSA-N	1	0	374.510	1.712	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(C(=O)[C@]2(C#N)CCc3ccccc3C2)CC1	ZINC000367699738	988960988	/nfs/dbraw/zinc/96/09/88/988960988.db2.gz	RMFAHZQNNGCPRS-OAQYLSRUSA-N	1	0	355.482	1.990	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NC2CC[NH+](C3CCC3)CC2)c1	ZINC000296134515	988981978	/nfs/dbraw/zinc/98/19/78/988981978.db2.gz	JDHIMFXZODYKGI-UHFFFAOYSA-N	1	0	355.438	1.770	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1C#N	ZINC000873689463	988996313	/nfs/dbraw/zinc/99/63/13/988996313.db2.gz	WWFDDYOCNZAUDG-RBSFLKMASA-N	1	0	372.469	1.988	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NCC[N@H+](C)Cc2ccccc2)cc1C#N	ZINC000873689928	988997232	/nfs/dbraw/zinc/99/72/32/988997232.db2.gz	XSPZDQPVCPNBFR-UHFFFAOYSA-N	1	0	366.421	1.754	20	30		FDEDRO
N#Cc1ccc(OCC[NH+]2CCC(CC(=O)N3CCOCC3)CC2)cc1	ZINC000363211375	988997519	/nfs/dbraw/zinc/99/75/19/988997519.db2.gz	LJEYLNCMWSNEKP-UHFFFAOYSA-N	1	0	357.454	1.898	20	30		FDEDRO
CN1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CCc2ccccc2)C[C@H]1C#N	ZINC000368700327	989003684	/nfs/dbraw/zinc/00/36/84/989003684.db2.gz	QURLEJATFZTCCK-RTBURBONSA-N	1	0	355.486	1.543	20	30		FDEDRO
C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](Cc2nnc3ccccn32)C1)C1CC1	ZINC000368775837	989007523	/nfs/dbraw/zinc/00/75/23/989007523.db2.gz	USTYUAFKCWWOSV-QRWLVFNGSA-N	1	0	366.469	1.792	20	30		FDEDRO
CCN(CC#N)C(=O)c1nnn(-c2cccc3c2CC[N@H+](CC)C3)c1C	ZINC000369114586	989026065	/nfs/dbraw/zinc/02/60/65/989026065.db2.gz	AWAVNZCUTYEFRQ-UHFFFAOYSA-N	1	0	352.442	1.939	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc3c2OCCCO3)CC1	ZINC000873705743	989026918	/nfs/dbraw/zinc/02/69/18/989026918.db2.gz	HTMPWNNSMTVFHQ-UHFFFAOYSA-N	1	0	373.453	1.943	20	30		FDEDRO
CCCN1CC[NH+](C2CCN(CC(=O)N(CC)C[C@@H](C)C#N)CC2)CC1	ZINC000369155966	989031946	/nfs/dbraw/zinc/03/19/46/989031946.db2.gz	NODFGKXUPZKYFZ-SFHVURJKSA-N	1	0	363.550	1.487	20	30		FDEDRO
C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1=O	ZINC000363302317	989074029	/nfs/dbraw/zinc/07/40/29/989074029.db2.gz	PWXQAFXVDVLNBL-GUDVDZBRSA-N	1	0	368.481	1.695	20	30		FDEDRO
Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000873734252	989087397	/nfs/dbraw/zinc/08/73/97/989087397.db2.gz	UZWMDGZSILNMAD-CQSZACIVSA-N	1	0	374.416	1.125	20	30		FDEDRO
Cc1cccc(C)c1OC[C@@H](O)C[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000369729623	989127871	/nfs/dbraw/zinc/12/78/71/989127871.db2.gz	MEGNXHPFIAKATN-KRWDZBQOSA-N	1	0	355.442	1.843	20	30		FDEDRO
Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1	ZINC000873772762	989153628	/nfs/dbraw/zinc/15/36/28/989153628.db2.gz	LHGFWHPAPXHDPL-DYVFJYSZSA-N	1	0	358.417	1.887	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1	ZINC000363419907	989182166	/nfs/dbraw/zinc/18/21/66/989182166.db2.gz	YJZHZWNBCUSSBD-QZTJIDSGSA-N	1	0	361.534	1.429	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(F)c1)C(C)C	ZINC000873863581	989349680	/nfs/dbraw/zinc/34/96/80/989349680.db2.gz	DYVXJWCTHZJLMW-KRWDZBQOSA-N	1	0	374.460	1.680	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3cc(C#N)cn3C(C)(C)C)C[C@@H]21	ZINC000363664492	989379205	/nfs/dbraw/zinc/37/92/05/989379205.db2.gz	JIXFEZKGTLJUSK-CABCVRRESA-N	1	0	357.458	1.606	20	30		FDEDRO
C=C(C)CCNC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(F)c1	ZINC000873904587	989425101	/nfs/dbraw/zinc/42/51/01/989425101.db2.gz	RCXUANPAYLHJLR-UHFFFAOYSA-N	1	0	362.449	1.989	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@@H](c1nccn1C)c1cccc(F)c1	ZINC000296857793	989437580	/nfs/dbraw/zinc/43/75/80/989437580.db2.gz	KIDYEQBHBJSTNA-QGZVFWFLSA-N	1	0	357.433	1.903	20	30		FDEDRO
CN1CCC([N@@H+]2CC[C@@H](NC(=O)/C=C/c3ccc(OCC#N)cc3)C2)CC1	ZINC000364208867	989514199	/nfs/dbraw/zinc/51/41/99/989514199.db2.gz	UBTSYVRFWOWFAQ-WEBJUUICSA-N	1	0	368.481	1.887	20	30		FDEDRO
N#Cc1ccc([C@@H](O)CN2CCC[C@H]2C(=O)NCC2CCOCC2)cc1	ZINC000370185651	989530932	/nfs/dbraw/zinc/53/09/32/989530932.db2.gz	RMLYUXUMUIVFCM-OALUTQOASA-N	1	0	357.454	1.599	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1	ZINC000364353638	989546367	/nfs/dbraw/zinc/54/63/67/989546367.db2.gz	MRXMHRMWMFGYSO-RTBURBONSA-N	1	0	368.481	1.897	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C[N@@H+]1C1CC1	ZINC000364518538	989613409	/nfs/dbraw/zinc/61/34/09/989613409.db2.gz	PZYKUQPFUYYSJL-LJHODMEESA-N	1	0	366.465	1.791	20	30		FDEDRO
C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000370311194	989650533	/nfs/dbraw/zinc/65/05/33/989650533.db2.gz	VXNPCNOGBIXZEV-MAUKXSAKSA-N	1	0	370.501	1.904	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)N1CCC[C@H]1C[NH+]1CCCCCC1	ZINC000364618316	989681160	/nfs/dbraw/zinc/68/11/60/989681160.db2.gz	XHOQSMBABQRBKI-JVMRMLDLSA-N	1	0	374.485	1.770	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)n1	ZINC000364621356	989682652	/nfs/dbraw/zinc/68/26/52/989682652.db2.gz	HPXUHOFFKHXKQD-IBGZPJMESA-N	1	0	374.485	1.135	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1	ZINC000297845558	989722967	/nfs/dbraw/zinc/72/29/67/989722967.db2.gz	OXMQJXURIBHBIK-IBGZPJMESA-N	1	0	358.486	1.142	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[N@H+](CC(C)(C)O)CC1	ZINC000370416808	989727458	/nfs/dbraw/zinc/72/74/58/989727458.db2.gz	ZYPVKUBOQXYZFZ-UHFFFAOYSA-N	1	0	358.442	1.110	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1	ZINC000364851386	989841373	/nfs/dbraw/zinc/84/13/73/989841373.db2.gz	WQILSKFIBWGPSY-OAHLLOKOSA-N	1	0	357.458	1.750	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NCCc2cccc(C#N)c2)CC1	ZINC000370632061	989910548	/nfs/dbraw/zinc/91/05/48/989910548.db2.gz	WKBOXOFDGDXHGD-FQEVSTJZSA-N	1	0	369.513	1.912	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)s1	ZINC000874188486	989918789	/nfs/dbraw/zinc/91/87/89/989918789.db2.gz	OUDQZYPMPCIVNI-LBPRGKRZSA-N	1	0	369.512	1.108	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1	ZINC000370759525	989972570	/nfs/dbraw/zinc/97/25/70/989972570.db2.gz	NFPFEDNPJPVHIP-KVSKMBFKSA-N	1	0	357.454	1.943	20	30		FDEDRO
N#Cc1ccccc1N1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1	ZINC000365182277	990088147	/nfs/dbraw/zinc/08/81/47/990088147.db2.gz	HFJLQUKNSFJYMQ-ZWKOTPCHSA-N	1	0	369.469	1.253	20	30		FDEDRO
CON=C(C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1csc(N)n1	ZINC000874323580	990096122	/nfs/dbraw/zinc/09/61/22/990096122.db2.gz	BZKSQDCMUFZVOL-LBPRGKRZSA-N	1	0	351.476	1.553	20	30		FDEDRO
Cn1cc([C@@H]2[C@H](CNC(=O)COc3ccc(C#N)cc3)CCC[N@@H+]2C)cn1	ZINC000370919372	990123363	/nfs/dbraw/zinc/12/33/63/990123363.db2.gz	WAPBJNFQVZJFFF-JXFKEZNVSA-N	1	0	367.453	1.870	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21	ZINC000298569112	990163424	/nfs/dbraw/zinc/16/34/24/990163424.db2.gz	HESQLPHAPHDSEH-MSOLQXFVSA-N	1	0	354.454	1.459	20	30		FDEDRO
C[N@@H+]1CC[C@H]2OCCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)[C@H]2C1	ZINC000298626235	990203914	/nfs/dbraw/zinc/20/39/14/990203914.db2.gz	VINMHMKSRRXSAF-JKSUJKDBSA-N	1	0	374.510	1.842	20	30		FDEDRO
CC[NH+](CC)CCNC(=O)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000371108660	990254816	/nfs/dbraw/zinc/25/48/16/990254816.db2.gz	KLGFRJSEEKLNAQ-AUUYWEPGSA-N	1	0	355.442	1.383	20	30		FDEDRO
C[NH+]=C(NCc1c(C)nn(C)c1C)N[C@@H]1CCCN(c2cnn(C)c2)C1	ZINC000125052879	990368448	/nfs/dbraw/zinc/36/84/48/990368448.db2.gz	NQJQMPIKDBNXHB-OAHLLOKOSA-N	1	0	358.494	1.104	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](O)c2cc(OC)ccc2OC)CC1	ZINC000874766583	990526060	/nfs/dbraw/zinc/52/60/60/990526060.db2.gz	UHUKXYVSJBBRSZ-AUUYWEPGSA-N	1	0	360.454	1.587	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C[N@@H+]2CCCC[C@H]2CN2CCOCC2)cc1	ZINC000371634861	990587848	/nfs/dbraw/zinc/58/78/48/990587848.db2.gz	PEYNDSHGYPJHQJ-IBGZPJMESA-N	1	0	356.470	1.361	20	30		FDEDRO
COc1ccnc(N2CCC[N@H+](C[C@H](O)c3ccc(C#N)cc3)CC2)n1	ZINC000372010418	990890630	/nfs/dbraw/zinc/89/06/30/990890630.db2.gz	OKPHWWXSSCYZRJ-KRWDZBQOSA-N	1	0	353.426	1.603	20	30		FDEDRO
CN1CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@@H]1C#N	ZINC000372208154	990960844	/nfs/dbraw/zinc/96/08/44/990960844.db2.gz	AEKPVTDCRWOYON-MOPGFXCFSA-N	1	0	355.486	1.748	20	30		FDEDRO
N#C[C@@H]1CN(C[C@@H](O)COc2ccccc2)C[C@]12C(=O)Nc1ccccc12	ZINC000372229704	990972896	/nfs/dbraw/zinc/97/28/96/990972896.db2.gz	YQKCYRWUTAHSTG-ZOCZFRKYSA-N	1	0	363.417	1.772	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](OC)C[C@H]2CC(=O)OCC)CC1	ZINC000372242565	990978304	/nfs/dbraw/zinc/97/83/04/990978304.db2.gz	UKGYDIDJPTZUGG-IRXDYDNUSA-N	1	0	367.490	1.779	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C2CCC2)[C@H]2CCOC2)CC1	ZINC000875182060	991022311	/nfs/dbraw/zinc/02/23/11/991022311.db2.gz	CUNZYJOYYQKJQK-FUHWJXTLSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@](C)(CO)Cc2ccc(OC)cc2)CC1	ZINC000875247198	991188362	/nfs/dbraw/zinc/18/83/62/991188362.db2.gz	JFUUPHLEQUPBIM-FQEVSTJZSA-N	1	0	361.486	1.938	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000875253417	991198946	/nfs/dbraw/zinc/19/89/46/991198946.db2.gz	VGPHAHDBUWKRDZ-INIZCTEOSA-N	1	0	365.518	1.712	20	30		FDEDRO
N#CCc1ccc(NC(=O)C(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)cc1	ZINC000372579577	991239633	/nfs/dbraw/zinc/23/96/33/991239633.db2.gz	WLOQVVFLEQBNOK-SJLPKXTDSA-N	1	0	370.453	1.308	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1	ZINC000875295666	991276140	/nfs/dbraw/zinc/27/61/40/991276140.db2.gz	OEYMONDUMBWYFR-QRQLOZEOSA-N	1	0	371.481	1.310	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCC1CC[NH+](C(C)C)CC1	ZINC000875386999	991444384	/nfs/dbraw/zinc/44/43/84/991444384.db2.gz	WMGJLMLUCZFUBD-ZWKOTPCHSA-N	1	0	365.518	1.711	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1	ZINC000875398970	991470257	/nfs/dbraw/zinc/47/02/57/991470257.db2.gz	ROGXPNQLFNXMQR-IBGZPJMESA-N	1	0	353.466	1.807	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1	ZINC000410492331	991487985	/nfs/dbraw/zinc/48/79/85/991487985.db2.gz	SFSSDHVVZVXYNI-UHFFFAOYSA-N	1	0	374.485	1.944	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1	ZINC000875426686	991525885	/nfs/dbraw/zinc/52/58/85/991525885.db2.gz	PVHGPHVGTOFBFB-JQHSSLGASA-N	1	0	363.502	1.607	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N	ZINC000875489792	991637682	/nfs/dbraw/zinc/63/76/82/991637682.db2.gz	PIPAPBJTDASEFR-IHRRRGAJSA-N	1	0	351.451	1.139	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1	ZINC000875558090	991732918	/nfs/dbraw/zinc/73/29/18/991732918.db2.gz	QQCLGWOGXCNUPH-JKSUJKDBSA-N	1	0	353.426	1.974	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000875599374	991787552	/nfs/dbraw/zinc/78/75/52/991787552.db2.gz	PGGCFOHBGKBYOG-RBUKOAKNSA-N	1	0	371.481	1.264	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)N(CC)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000875604555	991794168	/nfs/dbraw/zinc/79/41/68/991794168.db2.gz	PMBBPWFIENWRDX-OALUTQOASA-N	1	0	371.481	1.264	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1	ZINC000410827991	991923245	/nfs/dbraw/zinc/92/32/45/991923245.db2.gz	VUOKHULGJXGXHO-KRWDZBQOSA-N	1	0	359.470	1.924	20	30		FDEDRO
N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)O1	ZINC000373230790	992035005	/nfs/dbraw/zinc/03/50/05/992035005.db2.gz	RJWCDKVKKPIATP-JVNHZCFISA-N	1	0	374.437	1.984	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000875920883	992193821	/nfs/dbraw/zinc/19/38/21/992193821.db2.gz	BAWQFZOWXKXARC-FGTMMUONSA-N	1	0	350.507	1.225	20	30		FDEDRO
CC1=NO[C@@H](CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000875955566	992219018	/nfs/dbraw/zinc/21/90/18/992219018.db2.gz	VECHIHHYTLCCKB-GOSISDBHSA-N	1	0	355.442	1.987	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCC2(CC#N)CC2)ccc1OCC[NH+](C)C	ZINC000411485615	992450050	/nfs/dbraw/zinc/45/00/50/992450050.db2.gz	IZNPMBLKDQNXGM-UHFFFAOYSA-N	1	0	358.442	1.684	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N(C)CC(C)(C)C#N)ccc1OCC[NH+](C)C	ZINC000411555140	992491874	/nfs/dbraw/zinc/49/18/74/992491874.db2.gz	GLVRFNBUDZPJAS-UHFFFAOYSA-N	1	0	360.458	1.882	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN(C(=O)N[C@@H]1Cc3ccc(C#N)cc3C1)CCO2	ZINC000876278921	992519087	/nfs/dbraw/zinc/51/90/87/992519087.db2.gz	IUCBCOUXIQUOGQ-GOSISDBHSA-N	1	0	354.454	1.532	20	30		FDEDRO
C=CC[N@@H+](C)CCN(CC)[C@@H](C)C(=O)NC[C@H]1COc2ccccc2O1	ZINC000411640483	992530667	/nfs/dbraw/zinc/53/06/67/992530667.db2.gz	KQJPGRVKNQXYKZ-IRXDYDNUSA-N	1	0	361.486	1.771	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)s1	ZINC000876539691	992691793	/nfs/dbraw/zinc/69/17/93/992691793.db2.gz	PDIDGWFWXQLIQI-OLZOCXBDSA-N	1	0	369.512	1.108	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N(CC)CC(=O)Nc1ccc2c(c1)OCCO2	ZINC000876554446	992702114	/nfs/dbraw/zinc/70/21/14/992702114.db2.gz	NSNYGRGBVRHYFO-ZDUSSCGKSA-N	1	0	367.833	1.715	20	30		FDEDRO
O=C(C#Cc1cccs1)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	ZINC000825887151	992715297	/nfs/dbraw/zinc/71/52/97/992715297.db2.gz	MXXGGLIMJCGINZ-UHFFFAOYSA-N	1	0	373.522	1.940	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC2CCC(C#N)CC2)CC1=O	ZINC000374237075	992718245	/nfs/dbraw/zinc/71/82/45/992718245.db2.gz	IQEXIBKEXMFEQE-OPQOLIRYSA-N	1	0	360.502	1.765	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CCC2C[NH2+]C2)cc1	ZINC000876605405	992736655	/nfs/dbraw/zinc/73/66/55/992736655.db2.gz	SONFJLWBDLQRTO-CAPFRKAQSA-N	1	0	364.471	1.438	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)OC)C2)CC1	ZINC000374280387	992751340	/nfs/dbraw/zinc/75/13/40/992751340.db2.gz	OHJZOXJCRGESAQ-RBUKOAKNSA-N	1	0	354.450	1.747	20	30		FDEDRO
COc1cccc([C@@H](O)CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)c1	ZINC000876637408	992762189	/nfs/dbraw/zinc/76/21/89/992762189.db2.gz	NGLXHTRAQGNPPO-RBUKOAKNSA-N	1	0	351.406	1.603	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1	ZINC000876646702	992768469	/nfs/dbraw/zinc/76/84/69/992768469.db2.gz	XITUGZWFHCKUFC-CQSZACIVSA-N	1	0	357.788	1.719	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1	ZINC000876713965	992820342	/nfs/dbraw/zinc/82/03/42/992820342.db2.gz	QZQQUKGWKOVYCT-IJEWVQPXSA-N	1	0	370.925	1.105	20	30		FDEDRO
N#Cc1ccc2c(c1)CCN[C@H]2C(=O)NCC[N@@H+]1CCc2ccccc2C1	ZINC000876722823	992837240	/nfs/dbraw/zinc/83/72/40/992837240.db2.gz	GANHXRZLVKDUKF-OAQYLSRUSA-N	1	0	360.461	1.920	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1	ZINC000876734445	992849593	/nfs/dbraw/zinc/84/95/93/992849593.db2.gz	TUTDKNGXMUQHOZ-INIZCTEOSA-N	1	0	364.877	1.412	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1	ZINC000876756894	992879296	/nfs/dbraw/zinc/87/92/96/992879296.db2.gz	ZMTVYDCGMHVAIX-INIZCTEOSA-N	1	0	370.925	1.297	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(Cc2nc([C@H](C)OCC)no2)CC1	ZINC000876777791	992902746	/nfs/dbraw/zinc/90/27/46/992902746.db2.gz	TWNDTWNRZSPRQD-STQMWFEESA-N	1	0	371.869	1.281	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(Cc2nc([C@H](C)OCC)no2)CC1	ZINC000876777664	992902910	/nfs/dbraw/zinc/90/29/10/992902910.db2.gz	TWNDTWNRZSPRQD-QWHCGFSZSA-N	1	0	371.869	1.281	20	30		FDEDRO
C[C@@H](NC(=O)[C@H](C)Oc1ccccc1C#N)C(=O)NCC[NH+]1CCCCC1	ZINC000412320807	992908504	/nfs/dbraw/zinc/90/85/04/992908504.db2.gz	MANFFZZOPZRQQX-CVEARBPZSA-N	1	0	372.469	1.432	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(c2ccccc2OCCOC)CC1	ZINC000876888485	992950179	/nfs/dbraw/zinc/95/01/79/992950179.db2.gz	DLVCZENFGPDGBK-OAHLLOKOSA-N	1	0	367.877	1.830	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC(Cn2cncn2)CC1	ZINC000876895421	992955267	/nfs/dbraw/zinc/95/52/67/992955267.db2.gz	BADPPBJCAFSLEX-GOSISDBHSA-N	1	0	350.426	1.275	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC[C@@H](Cn2ccnn2)C1	ZINC000876901170	992960006	/nfs/dbraw/zinc/96/00/06/992960006.db2.gz	ALOBWQVWHMTEKR-QAPCUYQASA-N	1	0	350.426	1.275	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1	ZINC000876905924	992961759	/nfs/dbraw/zinc/96/17/59/992961759.db2.gz	MMSCMNOWSPCAOO-UONOGXRCSA-N	1	0	363.824	1.985	20	30		FDEDRO
N#CC1(NC(=O)COC[C@H]2CCOC2)CC[NH+](Cc2ccccc2)CC1	ZINC000374889213	992964853	/nfs/dbraw/zinc/96/48/53/992964853.db2.gz	AVIUZHJRMYZEPG-SFHVURJKSA-N	1	0	357.454	1.714	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1	ZINC000876969574	992989698	/nfs/dbraw/zinc/98/96/98/992989698.db2.gz	UBEHDQLEFWVGFD-CABCVRRESA-N	1	0	371.890	1.889	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@H](n1cccn1)C(F)(F)F	ZINC000876991606	992998166	/nfs/dbraw/zinc/99/81/66/992998166.db2.gz	REQJKRARNAUUIV-GJZGRUSLSA-N	1	0	363.343	1.861	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](Cc2nnc3ccccn32)C1	ZINC000375120979	992999253	/nfs/dbraw/zinc/99/92/53/992999253.db2.gz	MTYBLLQNRBLGLR-LSDHHAIUSA-N	1	0	370.457	1.384	20	30		FDEDRO
Cc1cc(C)c(C(=O)NC2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)o1	ZINC000877080964	993040137	/nfs/dbraw/zinc/04/01/37/993040137.db2.gz	HTDGXDAWKSOIIG-UHFFFAOYSA-N	1	0	357.454	1.620	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000375282543	993051476	/nfs/dbraw/zinc/05/14/76/993051476.db2.gz	RUWSAYBLVIPVCK-NRYLLOOCSA-N	1	0	360.502	1.953	20	30		FDEDRO
N#CCOc1ccc(C[N@@H+]2C[C@@H](C(=O)N3CCCO3)C[C@H]3OCC[C@H]32)cc1	ZINC001137116442	993080273	/nfs/dbraw/zinc/08/02/73/993080273.db2.gz	DVPJQCQWXMRXSZ-QXAKKESOSA-N	1	0	371.437	1.732	20	30		FDEDRO
CNC(=O)CN1C(=O)CC[C@]12CCC[N@H+](Cc1ccc(OCC#N)cc1)C2	ZINC001137116606	993081175	/nfs/dbraw/zinc/08/11/75/993081175.db2.gz	KHURJUJTHPSDAJ-FQEVSTJZSA-N	1	0	370.453	1.292	20	30		FDEDRO
COc1cccc(C[C@H]([NH3+])C(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1	ZINC000877249312	993148190	/nfs/dbraw/zinc/14/81/90/993148190.db2.gz	JABJWJVZHUFFBQ-FQEVSTJZSA-N	1	0	364.449	1.785	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1cn([C@@H]3CCC[NH2+]CC3)nn1)C2	ZINC000877265269	993161470	/nfs/dbraw/zinc/16/14/70/993161470.db2.gz	BAWXMZJVIQRDQE-DLBZAZTESA-N	1	0	350.426	1.362	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)cc1	ZINC000375518136	993209785	/nfs/dbraw/zinc/20/97/85/993209785.db2.gz	FRGMXGJTWYOUIC-VHSSKADRSA-N	1	0	353.426	1.412	20	30		FDEDRO
COc1ccccc1[C@H](CNC(=O)[C@H](C)n1cnc(C#N)n1)[NH+]1CCCC1	ZINC000466933060	993249347	/nfs/dbraw/zinc/24/93/47/993249347.db2.gz	FORGQCOPPSCBIB-HOCLYGCPSA-N	1	0	368.441	1.673	20	30		FDEDRO
CC[NH+](CC)[C@H](CNC(=O)[C@H](C)n1cnc(C#N)n1)Cc1ccccc1	ZINC000467067854	993262595	/nfs/dbraw/zinc/26/25/95/993262595.db2.gz	HLHYCVLLCYODOE-RDJZCZTQSA-N	1	0	354.458	1.780	20	30		FDEDRO
CN1CCN(C(=O)C2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)CC1	ZINC001137120392	993296839	/nfs/dbraw/zinc/29/68/39/993296839.db2.gz	JPDSAYVUEYABAP-UHFFFAOYSA-N	1	0	356.470	1.575	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCNC(=O)CC1	ZINC001095537638	993302818	/nfs/dbraw/zinc/30/28/18/993302818.db2.gz	AXMCXCOUMWHKFV-MHORFTMASA-N	1	0	370.497	1.926	20	30		FDEDRO
COC(=O)c1ccc(C[NH2+]CCn2cnc(C#N)n2)cc1Br	ZINC000877518275	993316505	/nfs/dbraw/zinc/31/65/05/993316505.db2.gz	APKLPWRBUJVOCA-UHFFFAOYSA-N	1	0	364.203	1.489	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCCNC2=O)C3)cc1	ZINC001095569409	993531170	/nfs/dbraw/zinc/53/11/70/993531170.db2.gz	RCYOTZQHQZSQKC-BDXSIMOUSA-N	1	0	352.438	1.306	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1C(F)(F)F	ZINC000923713525	993748771	/nfs/dbraw/zinc/74/87/71/993748771.db2.gz	XDAKCSDRAMKTTI-NWDGAFQWSA-N	1	0	359.373	1.807	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1	ZINC000470807342	994133815	/nfs/dbraw/zinc/13/38/15/994133815.db2.gz	BUFVXWNVOCCEAD-JYJNAYRXSA-N	1	0	374.464	1.272	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1	ZINC000470816843	994135025	/nfs/dbraw/zinc/13/50/25/994135025.db2.gz	RBCWKTGVJNIFMF-JYJNAYRXSA-N	1	0	362.453	1.081	20	30		FDEDRO
C[C@@H]1C[NH+]([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)C[C@@H](C)N1CC#N	ZINC000878773191	994215863	/nfs/dbraw/zinc/21/58/63/994215863.db2.gz	WOTBWACTOJWRML-NNFUDEMPSA-N	1	0	366.506	1.665	20	30		FDEDRO
C[NH+](C)CCn1cc(NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)cn1	ZINC000878848149	994284521	/nfs/dbraw/zinc/28/45/21/994284521.db2.gz	IADHMSZCDAIWIT-UHFFFAOYSA-N	1	0	367.457	1.670	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)CC1	ZINC000878887067	994324754	/nfs/dbraw/zinc/32/47/54/994324754.db2.gz	QYJAREYFQFDVCG-UHFFFAOYSA-N	1	0	359.474	1.840	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C2CC3(CC(NC(=O)[C@H]4OCC[C@H]4C)C3)C2)C1=O	ZINC000965140442	1015856596	/nfs/dbraw/zinc/85/65/96/1015856596.db2.gz	CEJIEFZADMYACW-CHBCMCHKSA-N	1	0	361.486	1.215	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]C[C@H]1CCc3ncnn31)C2	ZINC000965161368	1015865409	/nfs/dbraw/zinc/86/54/09/1015865409.db2.gz	QDPJXVRIYCVAMC-DMJMGIBUSA-N	1	0	371.485	1.374	20	30		FDEDRO
CC[NH+]1CCN(c2cccc(NC(=O)N[C@H]3CCCN(O)C3=O)c2)CC1	ZINC000879236585	994681849	/nfs/dbraw/zinc/68/18/49/994681849.db2.gz	GGADOVIIVQSEHM-INIZCTEOSA-N	1	0	361.446	1.330	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCCCCCNC(=O)CC1	ZINC000879257399	994707547	/nfs/dbraw/zinc/70/75/47/994707547.db2.gz	MRKCPTZXHNBOGW-UHFFFAOYSA-N	1	0	367.449	1.668	20	30		FDEDRO
C=CC[NH+]1CCC(N2C(=O)N[C@@H]([C@H](O)c3ccc(Cl)cc3)C2=O)CC1	ZINC000924596935	994865115	/nfs/dbraw/zinc/86/51/15/994865115.db2.gz	ASPTWXAAHXGJSH-JKSUJKDBSA-N	1	0	363.845	1.944	20	30		FDEDRO
C=CCCC[C@@H]1NC(=O)N(C2CC[NH+](CCC(=O)N(C)C)CC2)C1=O	ZINC000924613205	994879506	/nfs/dbraw/zinc/87/95/06/994879506.db2.gz	AYOAUSMYPHCLES-HNNXBMFYSA-N	1	0	350.463	1.206	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1	ZINC000879531384	994983007	/nfs/dbraw/zinc/98/30/07/994983007.db2.gz	CQJNSQAYVCEHEX-VBNZEHGJSA-N	1	0	372.400	1.007	20	30		FDEDRO
CC(C)CC(=O)N1CCC[N@H+](C[C@H](O)COc2ccccc2C#N)CC1	ZINC000879762107	995259956	/nfs/dbraw/zinc/25/99/56/995259956.db2.gz	ZHEUKUWAUHOHNH-SFHVURJKSA-N	1	0	359.470	1.878	20	30		FDEDRO
CC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CCN(c2nccnc2C#N)CC1	ZINC001110900019	995427645	/nfs/dbraw/zinc/42/76/45/995427645.db2.gz	BQKJTGSKEHLWKZ-ZIAGYGMSSA-N	1	0	365.441	1.598	20	30		FDEDRO
C[N@@H+]1CC[C@@H]1CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000925402390	995562863	/nfs/dbraw/zinc/56/28/63/995562863.db2.gz	DOZGUPPSIXUXQH-QGZVFWFLSA-N	1	0	355.442	1.622	20	30		FDEDRO
C#CCNC(=O)CC[N@H+]1C[C@H](C)O[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000880220716	995734446	/nfs/dbraw/zinc/73/44/46/995734446.db2.gz	XHGJBDWEAIAUCS-HNAYVOBHSA-N	1	0	365.474	1.226	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1cccnc1	ZINC000925903843	995812417	/nfs/dbraw/zinc/81/24/17/995812417.db2.gz	LJWSHLZNWHINLJ-ZWKOTPCHSA-N	1	0	356.474	1.456	20	30		FDEDRO
C[C@@H]1CN(C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)C[C@H](C)N1CC#N	ZINC000925920322	995827792	/nfs/dbraw/zinc/82/77/92/995827792.db2.gz	SJOMIPCQYUFFFF-JZXOWHBKSA-N	1	0	358.490	1.702	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1	ZINC000926089998	995915746	/nfs/dbraw/zinc/91/57/46/995915746.db2.gz	CSGYPCASECBKFT-LSDHHAIUSA-N	1	0	351.414	1.521	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[C@]3(C[N@@H+](CC)[C@@H]3C(C)C)C[C@H]2O)nn1	ZINC000926233949	995981906	/nfs/dbraw/zinc/98/19/06/995981906.db2.gz	FDRHUFBHINRDHJ-KLICCBINSA-N	1	0	361.490	1.454	20	30		FDEDRO
Cc1ncc(CO)c(/C=N/Cc2ccc(N3CC[NH+](C)CC3)cc2)c1O	ZINC000887270820	997080333	/nfs/dbraw/zinc/08/03/33/997080333.db2.gz	UTVGKXRLXLAHAN-FYJGNVAPSA-N	1	0	354.454	1.959	20	30		FDEDRO
CCN(CC)c1ccc(/C=[NH+]/CCc2nnc3c(=O)n(C)ccn23)c(O)c1	ZINC000887270910	997080486	/nfs/dbraw/zinc/08/04/86/997080486.db2.gz	WGYCGBHYWJLNBJ-DEDYPNTBSA-N	1	0	368.441	1.641	20	30		FDEDRO
C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3ccc(C4CC4)c(C#N)c3)C2)C1	ZINC000890297591	997147606	/nfs/dbraw/zinc/14/76/06/997147606.db2.gz	WHPSIKLLRLEIJG-FQEVSTJZSA-N	1	0	352.438	1.928	20	30		FDEDRO
N#Cc1ccc(Cn2cc(CN3CCC[C@@H]([NH3+])C3)nn2)c(OC(F)F)c1	ZINC000887444835	997278291	/nfs/dbraw/zinc/27/82/91/997278291.db2.gz	QYMFERQADKZNNR-CQSZACIVSA-N	1	0	362.384	1.723	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1CCCN(CC(=O)N(CC=C)CC=C)CC1	ZINC000263939458	997360909	/nfs/dbraw/zinc/36/09/09/997360909.db2.gz	WVTMFOTXRNARGA-UHFFFAOYSA-N	1	0	374.529	1.395	20	30		FDEDRO
C[NH+]=C(NCc1ccco1)NCc1ccccc1N1CCN(C(C)=O)CC1	ZINC000264025608	997383881	/nfs/dbraw/zinc/38/38/81/997383881.db2.gz	BCYIKYYRYLCNSY-UHFFFAOYSA-N	1	0	369.469	1.813	20	30		FDEDRO
C[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)N(C)c1ccccc1	ZINC000264074506	997395941	/nfs/dbraw/zinc/39/59/41/997395941.db2.gz	FFRBXXQAFRLWIY-INIZCTEOSA-N	1	0	353.474	1.438	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCn2cnc3ccccc32)CC1	ZINC000264093211	997401695	/nfs/dbraw/zinc/40/16/95/997401695.db2.gz	LHYNHQCTNWYRGE-UHFFFAOYSA-N	1	0	358.446	1.562	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC#Cc2ccccc2)CC1	ZINC000264108025	997402643	/nfs/dbraw/zinc/40/26/43/997402643.db2.gz	SJWOWGUJKFVOSH-UHFFFAOYSA-N	1	0	356.470	1.234	20	30		FDEDRO
CCc1cccc(NC(=[NH2+])NCCCN2CCN(c3ncccn3)CC2)c1	ZINC000264123115	997407389	/nfs/dbraw/zinc/40/73/89/997407389.db2.gz	RQFREDGEPMUCQO-UHFFFAOYSA-N	1	0	367.501	1.978	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCCc2nnc3n2CCCCC3)cc1OC	ZINC000264139986	997411603	/nfs/dbraw/zinc/41/16/03/997411603.db2.gz	WAPNFGXEYYRFIR-UHFFFAOYSA-N	1	0	372.473	1.669	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCCN(C)C(=O)OC(C)(C)C)cc1OC	ZINC000264324878	997462304	/nfs/dbraw/zinc/46/23/04/997462304.db2.gz	YQEDZRYWSZFMNY-UHFFFAOYSA-N	1	0	366.462	1.975	20	30		FDEDRO
COc1ccc([C@H](CNC(=O)N2CCO[C@@H](C#N)C2)[NH+](C)C)cc1OC	ZINC000264367219	997483293	/nfs/dbraw/zinc/48/32/93/997483293.db2.gz	IZBKIKXCQNQEFP-GJZGRUSLSA-N	1	0	362.430	1.240	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1ccc(OCC(F)(F)F)cc1	ZINC000264981935	997667153	/nfs/dbraw/zinc/66/71/53/997667153.db2.gz	LVMFMTNDOFCFMZ-UHFFFAOYSA-N	1	0	374.407	1.625	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@H](c1ccc(C)o1)N1CCCC1	ZINC000264985826	997668241	/nfs/dbraw/zinc/66/82/41/997668241.db2.gz	NMYYBDYBGYQEHD-QGZVFWFLSA-N	1	0	363.506	1.222	20	30		FDEDRO
C#CCCNC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000265085936	997693592	/nfs/dbraw/zinc/69/35/92/997693592.db2.gz	ROKDKNIOUXJOSN-SFHVURJKSA-N	1	0	355.486	1.649	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H](NC(=O)OC)C1)C(C)C	ZINC000887734045	997711280	/nfs/dbraw/zinc/71/12/80/997711280.db2.gz	LHPBNACDXQJMBQ-JKSUJKDBSA-N	1	0	352.479	1.825	20	30		FDEDRO
C[NH+](C)CCn1ccc(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)n1	ZINC000887737036	997713371	/nfs/dbraw/zinc/71/33/71/997713371.db2.gz	OMYNMULQPRMPFA-SFHVURJKSA-N	1	0	353.426	1.530	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCO[C@H](CNC(C)=O)C1)C(C)C	ZINC000265375093	997776629	/nfs/dbraw/zinc/77/66/29/997776629.db2.gz	HTURKFSODAFGST-MSOLQXFVSA-N	1	0	366.506	1.232	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](C)CN2CCN(c3ccccn3)CC2)CC1	ZINC000265479738	997801214	/nfs/dbraw/zinc/80/12/14/997801214.db2.gz	SDUDZXALIJDFGA-GOSISDBHSA-N	1	0	369.513	1.054	20	30		FDEDRO
Cc1c(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)cnn1CCC#N	ZINC000889247791	998245490	/nfs/dbraw/zinc/24/54/90/998245490.db2.gz	VITSOBYIHYGTSB-UHFFFAOYSA-N	1	0	372.517	1.785	20	30		FDEDRO
N#CCc1ccnc(NC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)c1	ZINC000889254137	998247691	/nfs/dbraw/zinc/24/76/91/998247691.db2.gz	PPKADBKNEGTYQG-KRWDZBQOSA-N	1	0	372.473	1.066	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@H](O)c2ccccc2F)CC1	ZINC000104168872	998312526	/nfs/dbraw/zinc/31/25/26/998312526.db2.gz	PYQROAWMILEGJD-HNNXBMFYSA-N	1	0	366.437	1.727	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1	ZINC000889658331	998507267	/nfs/dbraw/zinc/50/72/67/998507267.db2.gz	CULBNCFLFUGJOG-IBGZPJMESA-N	1	0	369.513	1.335	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000889781239	998654038	/nfs/dbraw/zinc/65/40/38/998654038.db2.gz	LWXGTXLPHWEENH-JKSUJKDBSA-N	1	0	359.426	1.003	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)ccc1C1CC1	ZINC000889961367	998748198	/nfs/dbraw/zinc/74/81/98/998748198.db2.gz	PIKYRODIDPGAHW-QGZVFWFLSA-N	1	0	350.422	1.847	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(C2CC2)c(C#N)c1	ZINC000889992190	998761529	/nfs/dbraw/zinc/76/15/29/998761529.db2.gz	BABTXGDZPCERNS-AWEZNQCLSA-N	1	0	369.469	1.126	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)NCC[N@H+]2CCC(C)(C)C2)c1	ZINC000890080240	998808185	/nfs/dbraw/zinc/80/81/85/998808185.db2.gz	ZTLSQYGQVSXDFN-UHFFFAOYSA-N	1	0	363.483	1.060	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)Nc3ccc(C4CC4)c(C#N)c3)[C@@H]2C1	ZINC000890341087	998907082	/nfs/dbraw/zinc/90/70/82/998907082.db2.gz	VMSCQOWSMDEDKW-KBXCAEBGSA-N	1	0	352.438	1.927	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)N[C@@](C)(CO)Cc2ccc(OC)cc2)C1	ZINC000890360949	998913275	/nfs/dbraw/zinc/91/32/75/998913275.db2.gz	GLFZVTVZDUXRJJ-FXAWDEMLSA-N	1	0	359.470	1.386	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1	ZINC000890376995	998921167	/nfs/dbraw/zinc/92/11/67/998921167.db2.gz	FPJGEZQAZXCOBM-QGZVFWFLSA-N	1	0	358.486	1.983	20	30		FDEDRO
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(C#N)CC[NH+](C)CC1	ZINC000826699643	998950278	/nfs/dbraw/zinc/95/02/78/998950278.db2.gz	KSINMAMJBHQAAJ-AWEZNQCLSA-N	1	0	368.478	1.409	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN(C#N)c2ccc(F)c(C#N)c2)C1	ZINC000266416719	999160879	/nfs/dbraw/zinc/16/08/79/999160879.db2.gz	DPEIAUJQQGFAJD-KRWDZBQOSA-N	1	0	373.432	1.458	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCCCNC(=O)c2occc2C)cc1	ZINC000267455456	999340712	/nfs/dbraw/zinc/34/07/12/999340712.db2.gz	SSOBHUZVBKWMNY-UHFFFAOYSA-N	1	0	358.442	1.864	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000267472987	999344673	/nfs/dbraw/zinc/34/46/73/999344673.db2.gz	XWRFMFYJAWBJDK-KRWDZBQOSA-N	1	0	357.454	1.562	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCN(CC(=O)N(CCC#N)c2ccccc2)CC1	ZINC000268441906	999438821	/nfs/dbraw/zinc/43/88/21/999438821.db2.gz	GYRBLIGNOAKIIX-UHFFFAOYSA-N	1	0	371.485	1.029	20	30		FDEDRO
CO/N=C(/C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)c1ccco1	ZINC000269453811	999468682	/nfs/dbraw/zinc/46/86/82/999468682.db2.gz	URPLAGFLSNBQCH-LQFHHUIYSA-N	1	0	357.414	1.804	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1	ZINC000270040436	999503964	/nfs/dbraw/zinc/50/39/64/999503964.db2.gz	AJPUEQQRYVFSNL-CQSZACIVSA-N	1	0	354.410	1.688	20	30		FDEDRO
CC1(C)CC(NC(=O)C(=O)N2CCc3ccc(C#N)cc32)CC(C)(C)[NH2+]1	ZINC000270139301	999518421	/nfs/dbraw/zinc/51/84/21/999518421.db2.gz	CXTUGJXIVWTFTC-UHFFFAOYSA-N	1	0	354.454	1.873	20	30		FDEDRO
CC(C)[NH+]1CCN(C2CCN(c3ncc([N+](=O)[O-])cc3C#N)CC2)CC1	ZINC000270490117	999566871	/nfs/dbraw/zinc/56/68/71/999566871.db2.gz	QZIRPGQMJHRWRD-UHFFFAOYSA-N	1	0	358.446	1.856	20	30		FDEDRO
CC[N@H+](CCC(=O)N(C)CCC#N)CC(=O)Nc1ccc(NC(C)=O)cc1	ZINC000270681824	999598611	/nfs/dbraw/zinc/59/86/11/999598611.db2.gz	UXTNAMKFDBRUJX-UHFFFAOYSA-N	1	0	373.457	1.668	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCCC[N@H+]2CCCC[C@@H]2C)nn1CCC#N	ZINC000271039021	999651737	/nfs/dbraw/zinc/65/17/37/999651737.db2.gz	REMQBZNXTSAKRM-AWEZNQCLSA-N	1	0	360.462	1.424	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)nn1CCC#N	ZINC000271104738	999661911	/nfs/dbraw/zinc/66/19/11/999661911.db2.gz	ZNZJLASLYVNNPJ-HNNXBMFYSA-N	1	0	360.462	1.280	20	30		FDEDRO
C#CCN(C)C(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1	ZINC000283460684	999754711	/nfs/dbraw/zinc/75/47/11/999754711.db2.gz	ALGFDMSSVKLEOZ-UHFFFAOYSA-N	1	0	356.470	1.495	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)NCc1ccc(O)cc1)C(C)C	ZINC000283589254	999757805	/nfs/dbraw/zinc/75/78/05/999757805.db2.gz	PRWPMMTZUXEKKV-SFHVURJKSA-N	1	0	359.470	1.823	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1	ZINC000283749402	999761389	/nfs/dbraw/zinc/76/13/89/999761389.db2.gz	FXFXTQKNQFRVDN-WBVHZDCISA-N	1	0	368.437	1.580	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@H+](CCOCCO)C(C)C)c(OC)c1	ZINC000283788495	999761515	/nfs/dbraw/zinc/76/15/15/999761515.db2.gz	SRXUTTBQZKQESM-SFHVURJKSA-N	1	0	367.486	1.883	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](c2ccco2)N2CCCC2)CC1	ZINC000283863460	999762797	/nfs/dbraw/zinc/76/27/97/999762797.db2.gz	BSKORQYRFNOKNU-KRWDZBQOSA-N	1	0	374.485	1.299	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)NC1CC[NH+](C2CC2)CC1	ZINC000284018410	999771146	/nfs/dbraw/zinc/77/11/46/999771146.db2.gz	OMQMRUFNAQUUAJ-UHFFFAOYSA-N	1	0	355.482	1.987	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)c1	ZINC000284021795	999771745	/nfs/dbraw/zinc/77/17/45/999771745.db2.gz	KMVZKSIIAURZEH-UHFFFAOYSA-N	1	0	354.454	1.698	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N(C)CCc1ccncc1)C(C)C	ZINC000284126772	999777757	/nfs/dbraw/zinc/77/77/57/999777757.db2.gz	RCVRMTGIWVKTFH-IBGZPJMESA-N	1	0	372.513	1.897	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCc3ccccc3C2)CC1	ZINC000284168908	999778487	/nfs/dbraw/zinc/77/84/87/999778487.db2.gz	YZVJHZHUZAJGLL-LJQANCHMSA-N	1	0	355.482	1.817	20	30		FDEDRO
N#CCCCCNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000284275672	999795159	/nfs/dbraw/zinc/79/51/59/999795159.db2.gz	ODXIJKCBNSHUJX-UHFFFAOYSA-N	1	0	371.485	1.125	20	30		FDEDRO
C=CCC[C@@H](NC(=O)C(=O)NCCC[N@@H+](C)CCOC)c1ccccc1	ZINC000284300808	999801874	/nfs/dbraw/zinc/80/18/74/999801874.db2.gz	UZYIELUDGQKVMJ-GOSISDBHSA-N	1	0	361.486	1.895	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C	ZINC000284365358	999816828	/nfs/dbraw/zinc/81/68/28/999816828.db2.gz	LKKYMCKRIUYKIC-INIZCTEOSA-N	1	0	370.478	1.997	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1cccc(C[N@@H+](C)CC)c1	ZINC000285022683	999895318	/nfs/dbraw/zinc/89/53/18/999895318.db2.gz	MWHUIWKSCIKRMU-OALUTQOASA-N	1	0	373.497	1.852	20	30		FDEDRO
N#Cc1ccc(N2CCC(C(=O)NCCCN3CCOCC3)CC2)c(F)c1	ZINC000285256145	999907044	/nfs/dbraw/zinc/90/70/44/999907044.db2.gz	UYAJKWHNMUBRFO-UHFFFAOYSA-N	1	0	374.460	1.752	20	30		FDEDRO
COc1cc(/C=C/C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)ccc1OCC#N	ZINC000285344123	999910168	/nfs/dbraw/zinc/91/01/68/999910168.db2.gz	TXDVCKGWBRLTSN-UPXOEVQQSA-N	1	0	371.437	1.542	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)NC1CC[NH+](CCOC)CC1	ZINC000285522360	999914639	/nfs/dbraw/zinc/91/46/39/999914639.db2.gz	PBLKOYDDQQZRQH-UHFFFAOYSA-N	1	0	373.497	1.471	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NCC[N@@H+](CC)C1CC1	ZINC000285907897	999924426	/nfs/dbraw/zinc/92/44/26/999924426.db2.gz	HZJUGICVGHWHAJ-UHFFFAOYSA-N	1	0	359.470	1.810	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC(n3ccnc3)CC2)CC1	ZINC000286444008	999944480	/nfs/dbraw/zinc/94/44/80/999944480.db2.gz	HCGUDGPBJQORDM-UHFFFAOYSA-N	1	0	359.474	1.203	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CCOC)Cc2ccccn2)CC1	ZINC000286689736	999946148	/nfs/dbraw/zinc/94/61/48/999946148.db2.gz	PJWDVVZXZNAYRT-UHFFFAOYSA-N	1	0	374.485	1.213	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)NC1CC[NH+](CC(=C)C)CC1	ZINC000286713738	999946897	/nfs/dbraw/zinc/94/68/97/999946897.db2.gz	QOXAJMPMSNTLQE-UHFFFAOYSA-N	1	0	359.470	1.993	20	30		FDEDRO
C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1	ZINC000286814315	999951177	/nfs/dbraw/zinc/95/11/77/999951177.db2.gz	XBADINHGWPOOFF-AZUAARDMSA-N	1	0	356.514	1.804	20	30		FDEDRO
CC[C@@H](CC#N)NC(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1	ZINC000287821532	999963449	/nfs/dbraw/zinc/96/34/49/999963449.db2.gz	PMHRWEORYJZDJF-AWEZNQCLSA-N	1	0	373.457	1.714	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1	ZINC000288199011	999996210	/nfs/dbraw/zinc/99/62/10/999996210.db2.gz	SHHXSGGBBFNRSA-NVXWUHKLSA-N	1	0	355.438	1.722	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1	ZINC000288416755	1000015513	/nfs/dbraw/zinc/01/55/13/1000015513.db2.gz	XFHXKOXFPXAYGN-SJLPKXTDSA-N	1	0	359.470	1.475	20	30		FDEDRO
C=CCOc1ccc(/C=C/C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc1OC	ZINC000289208064	1000081982	/nfs/dbraw/zinc/08/19/82/1000081982.db2.gz	KEFVARLEYMRFKQ-SUQGKYDKSA-N	1	0	371.481	1.779	20	30		FDEDRO
N#Cc1cncn(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1=O	ZINC000289306989	1000089154	/nfs/dbraw/zinc/08/91/54/1000089154.db2.gz	DKVIFKDIKRRFQM-UHFFFAOYSA-N	1	0	369.450	1.302	20	30		FDEDRO
N#Cc1ncn(CC[NH2+]CC2CCN(C(=O)OCc3ccccc3)CC2)n1	ZINC000289803310	1000119771	/nfs/dbraw/zinc/11/97/71/1000119771.db2.gz	SMWPEIAOOHQNBB-UHFFFAOYSA-N	1	0	368.441	1.788	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCCc2ccc(OC)c(OC)c2)c(OC)n1	ZINC000290713712	1000154424	/nfs/dbraw/zinc/15/44/24/1000154424.db2.gz	UFCNBBKDJRCEMH-UHFFFAOYSA-N	1	0	374.441	1.763	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)CC2)c1C#N	ZINC000290815229	1000161106	/nfs/dbraw/zinc/16/11/06/1000161106.db2.gz	WFFCJZURNVQZGG-OCCSQVGLSA-N	1	0	374.514	1.780	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1	ZINC000292290785	1000227502	/nfs/dbraw/zinc/22/75/02/1000227502.db2.gz	JJJQYDWQFDCSEP-NVXWUHKLSA-N	1	0	363.458	1.267	20	30		FDEDRO
C#CCN(C(=O)NC1CCC(C)([NH+]2CCC2)CC1)[C@@H]1CCS(=O)(=O)C1	ZINC000927293794	1000753201	/nfs/dbraw/zinc/75/32/01/1000753201.db2.gz	KRFXFYDNYTUJEQ-UPTPFMHGSA-N	1	0	367.515	1.225	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1	ZINC000947034004	1001001450	/nfs/dbraw/zinc/00/14/50/1001001450.db2.gz	BAJUFLFODPJQSV-SQNIBIBYSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3C4CCC3(C[NH3+])CC4)cc21	ZINC000927805033	1001065619	/nfs/dbraw/zinc/06/56/19/1001065619.db2.gz	OGGLIIBFELLGJP-UHFFFAOYSA-N	1	0	353.426	1.643	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1Cl	ZINC000927843536	1001101873	/nfs/dbraw/zinc/10/18/73/1001101873.db2.gz	XXEXKTBRLHODIE-MWLCHTKSSA-N	1	0	360.723	1.498	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CC[C@H](C[NH3+])[C@H](C)C3)cc21	ZINC000927894103	1001197342	/nfs/dbraw/zinc/19/73/42/1001197342.db2.gz	ZYFHULLMWJGSCP-ZIAGYGMSSA-N	1	0	355.442	1.604	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNS(=O)(=O)CC	ZINC001110936447	1001215402	/nfs/dbraw/zinc/21/54/02/1001215402.db2.gz	NXDQYBUWMNJMBC-VQHPVUNQSA-N	1	0	371.547	1.640	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000928648676	1001606106	/nfs/dbraw/zinc/60/61/06/1001606106.db2.gz	PTYGRWLEFKSPIX-UHFFFAOYSA-N	1	0	373.497	1.851	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)CC1	ZINC000928653786	1001610433	/nfs/dbraw/zinc/61/04/33/1001610433.db2.gz	AWIQJFHJCJCEIV-CYBMUJFWSA-N	1	0	361.392	1.532	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(OC)cc2)CC1	ZINC000928655152	1001611168	/nfs/dbraw/zinc/61/11/68/1001611168.db2.gz	LWVWAUAXIWUZKB-QUCCMNQESA-N	1	0	369.465	1.428	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cnn(CC(=O)NC3CCCCC3)c2)CC1	ZINC000928655926	1001611984	/nfs/dbraw/zinc/61/19/84/1001611984.db2.gz	DERQHGVAAIIQCB-UHFFFAOYSA-N	1	0	371.485	1.159	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CS[C@@H](C)C(=O)Nc2cc(C)on2)CC1	ZINC000928658531	1001613876	/nfs/dbraw/zinc/61/38/76/1001613876.db2.gz	KTENQFRUQRMOPE-ZDUSSCGKSA-N	1	0	364.471	1.257	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C[C@@H](NC(C)=O)c2ccc(OC)cc2)CC1	ZINC000928658870	1001614467	/nfs/dbraw/zinc/61/44/67/1001614467.db2.gz	WBMVXNMJWJVRDD-LJQANCHMSA-N	1	0	357.454	1.476	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)/C(=C\c2ccccc2)n2nnnc2C)CC1	ZINC000928659552	1001615194	/nfs/dbraw/zinc/61/51/94/1001615194.db2.gz	QWIKGLTWCFABOF-NBVRZTHBSA-N	1	0	350.426	1.193	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000928661063	1001615781	/nfs/dbraw/zinc/61/57/81/1001615781.db2.gz	MKKMBGISUFBFDI-UHFFFAOYSA-N	1	0	368.264	1.937	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccc(NCCn3ccnc3)cc2)CC1	ZINC000928661433	1001615836	/nfs/dbraw/zinc/61/58/36/1001615836.db2.gz	WHQAWHRNQYSELA-UHFFFAOYSA-N	1	0	351.454	1.823	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)CC1	ZINC000928660815	1001616092	/nfs/dbraw/zinc/61/60/92/1001616092.db2.gz	HGYZDJWODGYUFQ-BBWFWOEESA-N	1	0	361.486	1.703	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](CC#N)C(F)(F)F)CC1=O	ZINC000928808925	1001673240	/nfs/dbraw/zinc/67/32/40/1001673240.db2.gz	KGCCFESVDBFIFB-YNEHKIRRSA-N	1	0	360.380	1.280	20	30		FDEDRO
CCCCCCCCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000929143062	1001769795	/nfs/dbraw/zinc/76/97/95/1001769795.db2.gz	JPBXNUPPUCHPAP-IRXDYDNUSA-N	1	0	353.507	1.521	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCCN(c3nccnc3C#N)C2)CC[N@@H+]1C	ZINC001110963465	1001794584	/nfs/dbraw/zinc/79/45/84/1001794584.db2.gz	DEENHZHRWQIYKN-CLCXKQKWSA-N	1	0	356.474	1.411	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCCN(c3ccnc(C#N)n3)C2)CC[N@@H+]1C	ZINC001110963510	1001794947	/nfs/dbraw/zinc/79/49/47/1001794947.db2.gz	FOANBEZTBQXPBT-SPYBWZPUSA-N	1	0	356.474	1.411	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1	ZINC000929199018	1001807957	/nfs/dbraw/zinc/80/79/57/1001807957.db2.gz	NDDODKLOPPSAOG-SFHVURJKSA-N	1	0	369.465	1.567	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H](C)c1ccc(OCC)cc1)C1CC[NH+](C)CC1	ZINC000929276682	1001891982	/nfs/dbraw/zinc/89/19/82/1001891982.db2.gz	BYUPFCJMKIGWAL-INIZCTEOSA-N	1	0	371.481	1.819	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC2CCN(C(=O)[C@@H]3C[C@H]3CCC)CC2)CC1	ZINC000948259241	1002208862	/nfs/dbraw/zinc/20/88/62/1002208862.db2.gz	SDSRPOQDPRAFHQ-IEBWSBKVSA-N	1	0	359.514	1.875	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCC(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)c1	ZINC000948292676	1002228288	/nfs/dbraw/zinc/22/82/88/1002228288.db2.gz	HEIKYIGVADBNNM-RBUKOAKNSA-N	1	0	368.481	1.514	20	30		FDEDRO
O=C(NCC[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)C1N=CC=CC1=O	ZINC000189203817	1002247484	/nfs/dbraw/zinc/24/74/84/1002247484.db2.gz	YYARZMJJAHTPAO-HNENSFHCSA-N	1	0	369.400	1.687	20	30		FDEDRO
COc1ccc(NC(=O)NCC#CC[NH+](C)C)cc1N1CCCCC1=O	ZINC000929710181	1002366789	/nfs/dbraw/zinc/36/67/89/1002366789.db2.gz	NFOJCYQFRAREAN-UHFFFAOYSA-N	1	0	358.442	1.899	20	30		FDEDRO
C[C@@H]1CN(Cc2ccccc2NC(=O)NCC#CC[NH+](C)C)C[C@@H](C)O1	ZINC000929770802	1002421667	/nfs/dbraw/zinc/42/16/67/1002421667.db2.gz	YJLXSTQONSEWJE-IAGOWNOFSA-N	1	0	358.486	1.982	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC000948570517	1002460113	/nfs/dbraw/zinc/46/01/13/1002460113.db2.gz	URRZAVHDSBATPJ-OLMNPRSZSA-N	1	0	371.485	1.583	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H]1CCc2c1cccc2O)C1CC[NH+](C)CC1	ZINC000929950559	1002636570	/nfs/dbraw/zinc/63/65/70/1002636570.db2.gz	KLSPFAHOLMNTQD-QGZVFWFLSA-N	1	0	355.438	1.052	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](CCOCC(F)(F)F)C2	ZINC001111744179	1002668922	/nfs/dbraw/zinc/66/89/22/1002668922.db2.gz	OFEGHJZFQOAFDK-YCPHGPKFSA-N	1	0	362.392	1.574	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCOC23CCCCC3)CC1	ZINC000930010911	1002734217	/nfs/dbraw/zinc/73/42/17/1002734217.db2.gz	WQKNXZWLEVUTCR-QGZVFWFLSA-N	1	0	363.502	1.751	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C3CC(C)(C)C3)C[C@H]2C)CC1	ZINC000948870115	1002777612	/nfs/dbraw/zinc/77/76/12/1002777612.db2.gz	NDAOAQLDOCHXJG-CRAIPNDOSA-N	1	0	359.514	1.731	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H]1CCO[C@H](C(C)(C)C)C1)C1CC[NH+](C)CC1	ZINC000930265193	1002983140	/nfs/dbraw/zinc/98/31/40/1002983140.db2.gz	QJFNHYHBBHIDIR-RDJZCZTQSA-N	1	0	363.502	1.252	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1nc(C(C)C)cs1)C1CC[NH+](C)CC1	ZINC000930281627	1002993800	/nfs/dbraw/zinc/99/38/00/1002993800.db2.gz	LLCWKKVQYSQYKF-UHFFFAOYSA-N	1	0	362.499	1.439	20	30		FDEDRO
C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1C1CCOCC1)CCO2	ZINC000949137946	1003028328	/nfs/dbraw/zinc/02/83/28/1003028328.db2.gz	TXUDWWBQFHRIND-RBUKOAKNSA-N	1	0	360.498	1.766	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](O)COCCOC)CCC1	ZINC001110987650	1003065556	/nfs/dbraw/zinc/06/55/56/1003065556.db2.gz	YXZGEPHYQGTDLU-TVFCKZIOSA-N	1	0	366.502	1.478	20	30		FDEDRO
N#Cc1ccc(OC2CC[NH+](C[C@H](O)C[C@]3(O)CCOC3)CC2)c(F)c1	ZINC000930464035	1003165173	/nfs/dbraw/zinc/16/51/73/1003165173.db2.gz	GARRTQXWOFXPFQ-DNVCBOLYSA-N	1	0	364.417	1.443	20	30		FDEDRO
N#Cc1ccc(OC2CC[NH+](C[C@H](O)C3(O)CCOCC3)CC2)c(F)c1	ZINC000930468131	1003170740	/nfs/dbraw/zinc/17/07/40/1003170740.db2.gz	WFSNXVYJNSAMCA-SFHVURJKSA-N	1	0	364.417	1.443	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Nc1ccc2nc(N3CCOCC3)oc2c1	ZINC000930548620	1003258487	/nfs/dbraw/zinc/25/84/87/1003258487.db2.gz	GDLPXMJNFDOXOB-UHFFFAOYSA-N	1	0	357.414	1.351	20	30		FDEDRO
C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)CC1CCC(C#N)CC1	ZINC000930566342	1003276315	/nfs/dbraw/zinc/27/63/15/1003276315.db2.gz	SKACMRMIZUPMDL-UHFFFAOYSA-N	1	0	351.472	1.975	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](O)CC1(O)CCC(C(=O)OCC)CC1	ZINC000930645888	1003356858	/nfs/dbraw/zinc/35/68/58/1003356858.db2.gz	HKVCSGQLVSRXHH-FNYPPERVSA-N	1	0	355.475	1.545	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@H](c1c(C)nn(C)c1C)C(F)(F)F	ZINC000930688650	1003402882	/nfs/dbraw/zinc/40/28/82/1003402882.db2.gz	YDKYAAVJHSMUOK-CQSZACIVSA-N	1	0	359.396	1.895	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000949532861	1003449007	/nfs/dbraw/zinc/44/90/07/1003449007.db2.gz	LIAHSKYWDKBDTF-VJUNAUMWSA-N	1	0	357.458	1.193	20	30		FDEDRO
C#CC[C@H]1CCC[N@@H+](C[C@@H](O)CC2(O)CCC(C(=O)OCC)CC2)C1	ZINC000930815975	1003538396	/nfs/dbraw/zinc/53/83/96/1003538396.db2.gz	HFBQTBWUHPEFLI-FFEBTUMSSA-N	1	0	351.487	1.957	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3ccoc3CC)C2)CC1	ZINC000949864834	1003758780	/nfs/dbraw/zinc/75/87/80/1003758780.db2.gz	LODVPHZVBKQKEB-CRAIPNDOSA-N	1	0	371.481	1.764	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)cc1C#N	ZINC000931003777	1003761412	/nfs/dbraw/zinc/76/14/12/1003761412.db2.gz	BASUKJBIRDYTFV-MRXNPFEDSA-N	1	0	356.470	1.720	20	30		FDEDRO
C[NH+](C)CC[C@H](NC(=O)C(=O)NCC1(C#N)CCCCC1)c1cccnc1	ZINC000931011230	1003770210	/nfs/dbraw/zinc/77/02/10/1003770210.db2.gz	WDOZVNMFQLGEEH-KRWDZBQOSA-N	1	0	371.485	1.781	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)cc1C#N	ZINC000931033599	1003795579	/nfs/dbraw/zinc/79/55/79/1003795579.db2.gz	IVCDHSNMLKTFDC-UHFFFAOYSA-N	1	0	368.481	1.721	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H](C)c1cc2cnccc2o1)C1CC[NH+](C)CC1	ZINC000931165137	1003933311	/nfs/dbraw/zinc/93/33/11/1003933311.db2.gz	XXJPCFIROFNJHJ-AWEZNQCLSA-N	1	0	368.437	1.561	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)C3(C#N)CCSCC3)CC2)CC1	ZINC000931216368	1003967122	/nfs/dbraw/zinc/96/71/22/1003967122.db2.gz	GDOVMLWTSMRKFC-UHFFFAOYSA-N	1	0	350.532	1.698	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H]1c2ccccc2CC[C@@H]1F)C1CC[NH+](C)CC1	ZINC000931239729	1003988087	/nfs/dbraw/zinc/98/80/87/1003988087.db2.gz	ICDSLQGCGDZAMQ-OALUTQOASA-N	1	0	371.456	1.684	20	30		FDEDRO
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC([N@@H+]2CCCOCC2)CC1	ZINC000931285781	1004026796	/nfs/dbraw/zinc/02/67/96/1004026796.db2.gz	DDMRTMNKTMDKEH-LJQANCHMSA-N	1	0	357.454	1.959	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCC([N@@H+]2CCCOCC2)CC1	ZINC000931292364	1004032245	/nfs/dbraw/zinc/03/22/45/1004032245.db2.gz	KLAIIGFCEQXNDW-QFBILLFUSA-N	1	0	350.507	1.616	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(O)(C[NH+](C)C)CC1	ZINC000931484648	1004201434	/nfs/dbraw/zinc/20/14/34/1004201434.db2.gz	OONIGUVIZBFKBZ-QGZVFWFLSA-N	1	0	358.486	1.710	20	30		FDEDRO
N#Cc1ccc(NC(=O)CN2CC[NH+](CCCCCO)CC2)cc1Cl	ZINC000931496687	1004215666	/nfs/dbraw/zinc/21/56/66/1004215666.db2.gz	FBEPPXPWHSRDOX-UHFFFAOYSA-N	1	0	364.877	1.930	20	30		FDEDRO
C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NCc2cc(C#N)ccc2F)C1	ZINC000931594834	1004298787	/nfs/dbraw/zinc/29/87/87/1004298787.db2.gz	STELLHABIMANHP-MRXNPFEDSA-N	1	0	372.444	1.504	20	30		FDEDRO
COc1ccccc1C[C@@](C)(CO)[NH2+]C[C@H](O)COc1ccccc1C#N	ZINC000931601013	1004304115	/nfs/dbraw/zinc/30/41/15/1004304115.db2.gz	KPNKDSSYYDCAPM-RXVVDRJESA-N	1	0	370.449	1.890	20	30		FDEDRO
C#CCOCC[N@H+]1C[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C[C@]2(C(=O)OC)C1	ZINC000931953268	1004637451	/nfs/dbraw/zinc/63/74/51/1004637451.db2.gz	XOFBTFPDLUBQSS-KHYOSLBOSA-N	1	0	366.458	1.415	20	30		FDEDRO
C[C@@]1([C@@H]2CCC[N@H+](CC(=O)NCc3cccc(C#N)c3)C2)COC(=O)N1	ZINC000932027535	1004716465	/nfs/dbraw/zinc/71/64/65/1004716465.db2.gz	QNOKAIGWQLWQKT-APWZRJJASA-N	1	0	356.426	1.385	20	30		FDEDRO
C[C@]1([C@H]2CCC[N@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)COC(=O)N1	ZINC000932031436	1004719145	/nfs/dbraw/zinc/71/91/45/1004719145.db2.gz	OUUGXMQMJQLWBE-TXPKVOOTSA-N	1	0	359.426	1.508	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC([C@]2(C)COC(=O)N2)CC1	ZINC000932089848	1004764462	/nfs/dbraw/zinc/76/44/62/1004764462.db2.gz	MQEUNWVYUZVVIM-KDOFPFPSSA-N	1	0	362.474	1.928	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2nc(CC(=O)NCCC)cs2)CC1	ZINC000932233356	1004842900	/nfs/dbraw/zinc/84/29/00/1004842900.db2.gz	SIAYBERYOMWZTC-UHFFFAOYSA-N	1	0	363.487	1.431	20	30		FDEDRO
COc1cc(C#N)ccc1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000932417124	1004948612	/nfs/dbraw/zinc/94/86/12/1004948612.db2.gz	BAMWXNPRMWLHHE-UHFFFAOYSA-N	1	0	358.442	1.239	20	30		FDEDRO
CC(C)(C)NC(=O)[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1	ZINC000932438455	1004958495	/nfs/dbraw/zinc/95/84/95/1004958495.db2.gz	XGUKZDAARDXGNS-FUHWJXTLSA-N	1	0	359.470	1.871	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1ccc(C)c(C#N)c1	ZINC000932474129	1004976868	/nfs/dbraw/zinc/97/68/68/1004976868.db2.gz	BBSIHBRTFIFSDQ-MSOLQXFVSA-N	1	0	354.454	1.568	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1C#N	ZINC000932474504	1004977353	/nfs/dbraw/zinc/97/73/53/1004977353.db2.gz	DNAMNGWKSNHHLH-GOSISDBHSA-N	1	0	356.470	1.816	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1C#N	ZINC000932474505	1004977552	/nfs/dbraw/zinc/97/75/52/1004977552.db2.gz	DNAMNGWKSNHHLH-SFHVURJKSA-N	1	0	356.470	1.816	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1C#N	ZINC000932474647	1004977604	/nfs/dbraw/zinc/97/76/04/1004977604.db2.gz	GUOBKOXSWZPDRE-QGZVFWFLSA-N	1	0	356.470	1.577	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1C#N	ZINC000932474933	1004977922	/nfs/dbraw/zinc/97/79/22/1004977922.db2.gz	ILSFKSUVRRBTLP-SFHVURJKSA-N	1	0	368.481	1.673	20	30		FDEDRO
COc1ncc(NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1C#N	ZINC000932510376	1004993590	/nfs/dbraw/zinc/99/35/90/1004993590.db2.gz	RIEUEAPMTDMFJY-INIZCTEOSA-N	1	0	359.430	1.727	20	30		FDEDRO
Cn1cc(C[NH2+]CCS(=O)(=O)CC2CC2)c(-c2ccc(C#N)cc2)n1	ZINC000778102800	1005036630	/nfs/dbraw/zinc/03/66/30/1005036630.db2.gz	BRJNAUXVEPMZPR-UHFFFAOYSA-N	1	0	358.467	1.873	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2cn[nH]n2)C3)cc1	ZINC001111041730	1005202905	/nfs/dbraw/zinc/20/29/05/1005202905.db2.gz	QJSVLXYHYPPNDZ-KURKYZTESA-N	1	0	350.426	1.531	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(C(=O)N[C@@H](CC#N)C(F)(F)F)CC1	ZINC000932901897	1005236749	/nfs/dbraw/zinc/23/67/49/1005236749.db2.gz	CNTBWPNFMHXGKB-ZDUSSCGKSA-N	1	0	357.336	1.766	20	30		FDEDRO
CC(C)C[C@H](NC(=O)N[C@H](CC#N)C(F)(F)F)C(=O)NCC[NH+](C)C	ZINC000932909862	1005239284	/nfs/dbraw/zinc/23/92/84/1005239284.db2.gz	HHZFFXUWGMLQSF-NWDGAFQWSA-N	1	0	365.400	1.223	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)CCC1	ZINC000933301253	1005535420	/nfs/dbraw/zinc/53/54/20/1005535420.db2.gz	PKARBAGZFANQRY-ZDUSSCGKSA-N	1	0	361.467	1.147	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)Cn2cnc(-c3ccccc3)cc2=O)CC1	ZINC000933354678	1005545302	/nfs/dbraw/zinc/54/53/02/1005545302.db2.gz	DRIBPARXDSNFMP-UHFFFAOYSA-N	1	0	364.449	1.514	20	30		FDEDRO
N#Cc1ccsc1NC(=O)CC[NH+]1CCC(CN2CCNC2=O)CC1	ZINC000933590498	1005585221	/nfs/dbraw/zinc/58/52/21/1005585221.db2.gz	XTLNBRWRAULJKN-UHFFFAOYSA-N	1	0	361.471	1.686	20	30		FDEDRO
COc1ccc(COC[C@H](O)C[NH+]2CCC3(CC2)CC(=O)C=CO3)cc1	ZINC000933653948	1005599659	/nfs/dbraw/zinc/59/96/59/1005599659.db2.gz	LVWWUWQQFYNZKJ-GOSISDBHSA-N	1	0	361.438	1.910	20	30		FDEDRO
COc1ccc(COC[C@@H](O)C[NH+]2CCC3(CC2)CC(=O)C=CO3)cc1	ZINC000933653949	1005599773	/nfs/dbraw/zinc/59/97/73/1005599773.db2.gz	LVWWUWQQFYNZKJ-SFHVURJKSA-N	1	0	361.438	1.910	20	30		FDEDRO
N#CC1(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCSCC1	ZINC000933826280	1005642893	/nfs/dbraw/zinc/64/28/93/1005642893.db2.gz	TVIOVHNORFULSJ-LJQANCHMSA-N	1	0	359.495	1.777	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@](O)(C2(C(=O)OC)CCC2)C1	ZINC000933837918	1005644944	/nfs/dbraw/zinc/64/49/44/1005644944.db2.gz	BGCDJQJKBSVMET-LJQANCHMSA-N	1	0	350.459	1.357	20	30		FDEDRO
C=CCN1CC[C@@H](N2CCN(C3CN(C(=O)OC(C)(C)C)C3)CC2)C1=O	ZINC000934099003	1005691502	/nfs/dbraw/zinc/69/15/02/1005691502.db2.gz	HLPJQJCIKZMIJI-MRXNPFEDSA-N	1	0	364.490	1.010	20	30		FDEDRO
CO[C@@H]1CC[C@H]1[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000934115147	1005694891	/nfs/dbraw/zinc/69/48/91/1005694891.db2.gz	FKGUXKLJCAKQQH-BZUAXINKSA-N	1	0	362.499	1.566	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1	ZINC000934179183	1005707560	/nfs/dbraw/zinc/70/75/60/1005707560.db2.gz	ARZNGXGTXDXDQX-AWEZNQCLSA-N	1	0	366.462	1.069	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)NCC2(C)CC[NH+](C)CC2)c1	ZINC000935295900	1005884025	/nfs/dbraw/zinc/88/40/25/1005884025.db2.gz	QBGFZILQZVQNDP-UHFFFAOYSA-N	1	0	362.495	1.945	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NC[C@](C)(O)c3ccccc3)=[NH+]C[C@@H]2C1	ZINC000089120974	1006011573	/nfs/dbraw/zinc/01/15/73/1006011573.db2.gz	QQICNAGIDNIREJ-UZLBHIALSA-N	1	0	374.485	1.775	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](NC(=O)COC)C(C)C)C2	ZINC001111116981	1006285192	/nfs/dbraw/zinc/28/51/92/1006285192.db2.gz	JNBHYYUYPIFAEA-CBZIJGRNSA-N	1	0	351.491	1.461	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)CCc2cncn2C)C1	ZINC000954402317	1006714422	/nfs/dbraw/zinc/71/44/22/1006714422.db2.gz	KNQASEZWIRSAOH-SJORKVTESA-N	1	0	360.458	1.003	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1coc(C3CCOCC3)n1)C2	ZINC001111237919	1007021798	/nfs/dbraw/zinc/02/17/98/1007021798.db2.gz	BFYMTTMUYCUNLU-NUJGCVRESA-N	1	0	373.453	1.554	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1	ZINC000954814852	1007037573	/nfs/dbraw/zinc/03/75/73/1007037573.db2.gz	MKQQZPKKMCUSJR-FGTMMUONSA-N	1	0	361.486	1.121	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@H]1CCN(C2CCC2)C1=O	ZINC001111487603	1007059624	/nfs/dbraw/zinc/05/96/24/1007059624.db2.gz	XEGRBNMUUDWFPL-BDXSIMOUSA-N	1	0	361.486	1.454	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)[nH]nc1C(C)C)C2	ZINC001111244711	1007069069	/nfs/dbraw/zinc/06/90/69/1007069069.db2.gz	PFTLJJDJBPQTFT-KFWWJZLASA-N	1	0	359.474	1.479	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)cc1	ZINC000641664194	1007082249	/nfs/dbraw/zinc/08/22/49/1007082249.db2.gz	AEZLPEDMFXLSET-LJQANCHMSA-N	1	0	373.497	1.778	20	30		FDEDRO
Cn1cc(C[NH+]2CCC(C(=O)NCCO)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000778997039	1007119742	/nfs/dbraw/zinc/11/97/42/1007119742.db2.gz	ZOZUOINQXMRYTF-UHFFFAOYSA-N	1	0	367.453	1.279	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)C2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cc1	ZINC000954944907	1007146630	/nfs/dbraw/zinc/14/66/30/1007146630.db2.gz	JIVQQYPFQXJNAE-RBUKOAKNSA-N	1	0	353.466	1.681	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(C)C(=O)C[NH+]2CCC(C)CC2)C1	ZINC000955111220	1007248111	/nfs/dbraw/zinc/24/81/11/1007248111.db2.gz	YDKOUDNAYMHDKU-HKUYNNGSSA-N	1	0	363.502	1.369	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCCCN(C)c2nc(C#N)c(Cl)s2)CC[N@@H+]1C	ZINC001095757522	1007256562	/nfs/dbraw/zinc/25/65/62/1007256562.db2.gz	OAMUQJFMNUMUEC-GHMZBOCLSA-N	1	0	355.895	1.951	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn([C@@H](C)CC)c1C)C2	ZINC001111258875	1007262041	/nfs/dbraw/zinc/26/20/41/1007262041.db2.gz	GMJAUJWHKIJUGL-NZPGVSJUSA-N	1	0	373.501	1.800	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC(=O)NCCCOC)C2	ZINC001111262569	1007329879	/nfs/dbraw/zinc/32/98/79/1007329879.db2.gz	XJEHQRAFJHWPQR-ZACQAIPSSA-N	1	0	351.491	1.607	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1	ZINC000955342521	1007346523	/nfs/dbraw/zinc/34/65/23/1007346523.db2.gz	XTUAPNDGNSPGMT-IEZWGBDMSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]c(=O)[nH]c(=O)c1OC)C2	ZINC001111272525	1007458807	/nfs/dbraw/zinc/45/88/07/1007458807.db2.gz	VMHWEEHBLJACQR-LPWJVIDDSA-N	1	0	362.430	1.586	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2C)cc1	ZINC000957075748	1007663055	/nfs/dbraw/zinc/66/30/55/1007663055.db2.gz	ZONWIRKKFMAASC-SZVBFZGTSA-N	1	0	353.466	1.586	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1	ZINC000956100907	1007878358	/nfs/dbraw/zinc/87/83/58/1007878358.db2.gz	QXGREOMINOYPPV-KSZLIROESA-N	1	0	368.437	1.646	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC000956129202	1007905911	/nfs/dbraw/zinc/90/59/11/1007905911.db2.gz	AIFVAKIQBPODKH-LSTHTHJFSA-N	1	0	367.493	1.658	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1	ZINC000949936948	1008540364	/nfs/dbraw/zinc/54/03/64/1008540364.db2.gz	QJAGCKCXGURVMJ-UWWQBHOKSA-N	1	0	371.485	1.441	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCc3ccc4c(c3)OCO4)=[NH+]C[C@H]2C1	ZINC000305032795	1008561450	/nfs/dbraw/zinc/56/14/50/1008561450.db2.gz	ROLYBZGGKLMOJS-AWEZNQCLSA-N	1	0	374.441	1.796	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1	ZINC000190709265	1008651839	/nfs/dbraw/zinc/65/18/39/1008651839.db2.gz	UQOCOGNEFBXCMM-UHFFFAOYSA-N	1	0	374.485	1.428	20	30		FDEDRO
C=CCOc1ccc(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)cc1	ZINC000646427379	1008756716	/nfs/dbraw/zinc/75/67/16/1008756716.db2.gz	WMFSEMLYFOKTKL-UHFFFAOYSA-N	1	0	359.470	1.973	20	30		FDEDRO
C=CCc1cc(C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)cc(OC)c1OC	ZINC000646458371	1008789926	/nfs/dbraw/zinc/78/99/26/1008789926.db2.gz	UXFTVUUEKZKXPN-UHFFFAOYSA-N	1	0	373.497	1.752	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCN1C(=O)CC[NH+]1CCCCC1	ZINC000950218232	1008874100	/nfs/dbraw/zinc/87/41/00/1008874100.db2.gz	GBEKRJOZLOXBOU-AOIWGVFYSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccc2c[nH+]cn2c1	ZINC000950218394	1008874841	/nfs/dbraw/zinc/87/48/41/1008874841.db2.gz	KNVRGXFMFHAGRX-BZSNNMDCSA-N	1	0	368.437	1.646	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C	ZINC000950390110	1009118344	/nfs/dbraw/zinc/11/83/44/1009118344.db2.gz	LEUUMYTVBBBLJD-NVXWUHKLSA-N	1	0	358.486	1.735	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2C(N)=O)cc1C#N	ZINC000960137412	1009577519	/nfs/dbraw/zinc/57/75/19/1009577519.db2.gz	PQQOEWGDPPJPPN-BBWFWOEESA-N	1	0	370.453	1.159	20	30		FDEDRO
COc1cccc(NC(=[NH2+])NCC[C@@](O)(c2nccn2C)C(F)(F)F)c1	ZINC000303788157	1009584863	/nfs/dbraw/zinc/58/48/63/1009584863.db2.gz	TZOOGDUXGRQPHH-OAHLLOKOSA-N	1	0	371.363	1.996	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@H]2C1	ZINC000960140113	1009585975	/nfs/dbraw/zinc/58/59/75/1009585975.db2.gz	WLRXFPDNCMWSMH-SOUVJXGZSA-N	1	0	369.893	1.298	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000958860196	1009606734	/nfs/dbraw/zinc/60/67/34/1009606734.db2.gz	FNBGHHGITIPUPY-YVSFHVDLSA-N	1	0	365.518	1.349	20	30		FDEDRO
[NH2+]=C(NCCc1cccs1)NCC(=O)N1CCN(c2ccccc2)CC1	ZINC000303972573	1009784544	/nfs/dbraw/zinc/78/45/44/1009784544.db2.gz	GAMXASCBFCKMCS-UHFFFAOYSA-N	1	0	371.510	1.544	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2ncc(C)c(OC)c2C)CC1	ZINC000303978235	1009791091	/nfs/dbraw/zinc/79/10/91/1009791091.db2.gz	MDSAWLCUAZEXCF-UHFFFAOYSA-N	1	0	363.462	1.732	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1COCCN1CC(F)F)C2	ZINC001095817176	1009875784	/nfs/dbraw/zinc/87/57/84/1009875784.db2.gz	VXIYWOCYCXCJCL-FXUDXRNXSA-N	1	0	357.445	1.640	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1	ZINC000950826245	1009908683	/nfs/dbraw/zinc/90/86/83/1009908683.db2.gz	CWCBROQCVDNSNR-BZSNNMDCSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1	ZINC000647876196	1009977170	/nfs/dbraw/zinc/97/71/70/1009977170.db2.gz	RIQQEMPUNABZCM-GOEBONIOSA-N	1	0	356.426	1.625	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1	ZINC000950971784	1010165682	/nfs/dbraw/zinc/16/56/82/1010165682.db2.gz	LYJCUOWZAKYLTN-BZSNNMDCSA-N	1	0	363.502	1.417	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000950993862	1010258690	/nfs/dbraw/zinc/25/86/90/1010258690.db2.gz	MRHKOOWTWHATML-YQQAZPJKSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)C2	ZINC001111353134	1010407795	/nfs/dbraw/zinc/40/77/95/1010407795.db2.gz	JJEHOKLPHJPRKZ-YJNKXOJESA-N	1	0	362.474	1.393	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)nn1	ZINC000648371561	1010464508	/nfs/dbraw/zinc/46/45/08/1010464508.db2.gz	NWXDDJBIEJFGHB-KRWDZBQOSA-N	1	0	355.442	1.485	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1	ZINC000951132332	1010496575	/nfs/dbraw/zinc/49/65/75/1010496575.db2.gz	QRRYJCKECROECU-ZTFGCOKTSA-N	1	0	371.485	1.583	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1	ZINC000960662628	1010561805	/nfs/dbraw/zinc/56/18/05/1010561805.db2.gz	PONCOUGMGJYHJX-JKSUJKDBSA-N	1	0	361.486	1.123	20	30		FDEDRO
COc1cccc(CNC(=O)CO[NH+]=C(N)c2ccc(N(C)C)cc2)c1	ZINC000079863139	1010704338	/nfs/dbraw/zinc/70/43/38/1010704338.db2.gz	SZAZPWFGEBYTGI-UHFFFAOYSA-N	1	0	356.426	1.715	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1occc1C[NH+](C)C	ZINC000951849975	1011116288	/nfs/dbraw/zinc/11/62/88/1011116288.db2.gz	KYNBOANNWSFAJS-XHSDSOJGSA-N	1	0	361.442	1.263	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccn2c[nH+]cc2c1	ZINC000952172740	1011362113	/nfs/dbraw/zinc/36/21/13/1011362113.db2.gz	GSOVYWDEJJFNAQ-OIISXLGYSA-N	1	0	354.410	1.256	20	30		FDEDRO
C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1	ZINC000960858783	1011564168	/nfs/dbraw/zinc/56/41/68/1011564168.db2.gz	ACRFDDNRSMBMJS-OKZBNKHCSA-N	1	0	370.453	1.014	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1C[C@H]1C(N)=O	ZINC000960873274	1011585945	/nfs/dbraw/zinc/58/59/45/1011585945.db2.gz	DJOFDHPCPQZXLK-ZACQAIPSSA-N	1	0	370.453	1.111	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1	ZINC000963041837	1011777983	/nfs/dbraw/zinc/77/79/83/1011777983.db2.gz	MOCNFCOUODYWBZ-GJYPPUQNSA-N	1	0	351.491	1.009	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC000952724368	1011962330	/nfs/dbraw/zinc/96/23/30/1011962330.db2.gz	RCQAIGQEFDCFOH-MXASKKJJSA-N	1	0	369.469	1.432	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC3(C[C@@H]3NC(=O)c3cc(C#N)c[nH]3)CC2)CC[N@@H+]1C	ZINC000963486522	1012327604	/nfs/dbraw/zinc/32/76/04/1012327604.db2.gz	CYMQPYDHDKJHMJ-UNEWFSDZSA-N	1	0	369.469	1.337	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C2CCN(C(=O)C#CC3CC3)CC2)CC[N@@H+]1C	ZINC000953469309	1012367324	/nfs/dbraw/zinc/36/73/24/1012367324.db2.gz	ZZTSUVNDSXRALW-NSISKUIASA-N	1	0	371.525	1.970	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2	ZINC001111415324	1012427234	/nfs/dbraw/zinc/42/72/34/1012427234.db2.gz	MRQRWNQBWANXHP-KURKYZTESA-N	1	0	362.518	1.276	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(COC)cc3)C[C@H]21	ZINC000961820779	1012888690	/nfs/dbraw/zinc/88/86/90/1012888690.db2.gz	YATOHBCMPWBOQK-SLHNCBLASA-N	1	0	356.466	1.971	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCC([NH2+]Cc2cnnn2CC)CC1	ZINC000963926588	1012971247	/nfs/dbraw/zinc/97/12/47/1012971247.db2.gz	OWYNBCLBHXZYKY-UQVLAFNGSA-N	1	0	361.490	1.748	20	30		FDEDRO
C[C@H]1C[C@@H](CCNC(=O)Cn2cnc(C#N)n2)C[N@@H+]1Cc1ccccc1	ZINC000510085473	538952800	/nfs/dbraw/zinc/95/28/00/538952800.db2.gz	IIHBXBXGKBKYAC-DOTOQJQBSA-N	1	0	352.442	1.567	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2	ZINC000514922844	539021881	/nfs/dbraw/zinc/02/18/81/539021881.db2.gz	CGQIGSJJGUATHG-HXUWFJFHSA-N	1	0	370.453	1.886	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1	ZINC000517025388	539342591	/nfs/dbraw/zinc/34/25/91/539342591.db2.gz	QESBQKIMAGVFQF-HOTGVXAUSA-N	1	0	366.456	1.725	20	30		FDEDRO
Cc1cc(C)cc(N2CC[C@H](C(=O)NC3(C#N)CC[NH+](C)CC3)C2=O)c1	ZINC000517581401	539372525	/nfs/dbraw/zinc/37/25/25/539372525.db2.gz	NXCYXPVIOJLFPL-QGZVFWFLSA-N	1	0	354.454	1.761	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ncc1C#N	ZINC000517586062	539373415	/nfs/dbraw/zinc/37/34/15/539373415.db2.gz	ZOCQAGRERYLZJZ-YOEHRIQHSA-N	1	0	367.453	1.676	20	30		FDEDRO
CCCS(=O)(=O)Nc1cccc(C(=O)NC2(C#N)CC[NH+](C)CC2)c1	ZINC000518300482	539406573	/nfs/dbraw/zinc/40/65/73/539406573.db2.gz	SGNKWFSZROZTJB-UHFFFAOYSA-N	1	0	364.471	1.556	20	30		FDEDRO
C[C@@]1(CNS(=O)(=O)c2ccc(C#N)c(Br)c2)CCC[NH2+]C1	ZINC000522001245	539529904	/nfs/dbraw/zinc/52/99/04/539529904.db2.gz	GKMGPBNRKPWTEH-CQSZACIVSA-N	1	0	372.288	1.989	20	30		FDEDRO
C[C@H]([NH2+]C(C)(C)CNc1c(C#N)c(=O)n(C)c(=O)n1C)c1ccccc1	ZINC000264341368	179083044	/nfs/dbraw/zinc/08/30/44/179083044.db2.gz	VMMXDKIAGRZKBE-ZDUSSCGKSA-N	1	0	355.442	1.497	20	30		FDEDRO
N#Cc1ccc(N2C(=O)C[C@@H](N3CC[C@H]([NH+]4CCCCC4)C3)C2=O)cc1	ZINC000264560798	179136132	/nfs/dbraw/zinc/13/61/32/179136132.db2.gz	FMZTVQFVMXMEKO-ZWKOTPCHSA-N	1	0	352.438	1.750	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CCOC)c1	ZINC000522772933	539580793	/nfs/dbraw/zinc/58/07/93/539580793.db2.gz	FNNVPXJNVHOLQW-MRXNPFEDSA-N	1	0	361.442	1.417	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCc1nc2ccccc2n1C	ZINC000268347434	180058667	/nfs/dbraw/zinc/05/86/67/180058667.db2.gz	QOTDGFANFRJFFW-OAHLLOKOSA-N	1	0	361.453	1.988	20	30		FDEDRO
C[NH+](C)CC1(CNC(=O)C(=O)N2CCc3ccc(C#N)cc32)CCCC1	ZINC000273544989	180933007	/nfs/dbraw/zinc/93/30/07/180933007.db2.gz	GTNKLTWCFQHFCD-UHFFFAOYSA-N	1	0	354.454	1.686	20	30		FDEDRO
Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H]2CCCN(CC#N)C2)CC1	ZINC000530748384	540034855	/nfs/dbraw/zinc/03/48/55/540034855.db2.gz	VQKIBDZXQPELRP-KRWDZBQOSA-N	1	0	355.486	1.958	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C)nn2CCC#N)C[C@@H]1C	ZINC000532565533	540173917	/nfs/dbraw/zinc/17/39/17/540173917.db2.gz	ZHILEWVUNFXKMF-LSDHHAIUSA-N	1	0	360.462	1.375	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(C#N)cc1F	ZINC000533330994	540233561	/nfs/dbraw/zinc/23/35/61/540233561.db2.gz	ZNMUTLVFSDIYMH-BMFZPTHFSA-N	1	0	367.446	1.570	20	30		FDEDRO
CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)C1	ZINC000533459071	540250524	/nfs/dbraw/zinc/25/05/24/540250524.db2.gz	VTJLEXAVUSATCO-HNNXBMFYSA-N	1	0	360.462	1.234	20	30		FDEDRO
N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@H](Cn4ccnn4)C3)C2=O)cc1	ZINC000533549408	540262487	/nfs/dbraw/zinc/26/24/87/540262487.db2.gz	CGLMNPULXUUMML-RDJZCZTQSA-N	1	0	364.409	1.194	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(NC(C)=O)cc2)c1C#N	ZINC000534797031	540413090	/nfs/dbraw/zinc/41/30/90/540413090.db2.gz	LUMLWCVVGKQEHI-UHFFFAOYSA-N	1	0	354.414	1.573	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccncc2Br)c1C#N	ZINC000535505082	540478576	/nfs/dbraw/zinc/47/85/76/540478576.db2.gz	HHMMQXHSVOAQET-UHFFFAOYSA-N	1	0	363.219	1.843	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)Cn2c3ccccc3[nH]c2=O)c1C#N	ZINC000535505372	540478951	/nfs/dbraw/zinc/47/89/51/540478951.db2.gz	AKZQXXZTWZRTAQ-UHFFFAOYSA-N	1	0	353.386	1.127	20	30		FDEDRO
N#Cc1ccc([C@H]([NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)C(N)=O)cc1	ZINC000535410635	540471819	/nfs/dbraw/zinc/47/18/19/540471819.db2.gz	KJZMUGSTUMXKIO-PXNSSMCTSA-N	1	0	362.433	1.723	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)Cc3cc(C#N)ccc3F)CC[C@H]21	ZINC000536583194	540619801	/nfs/dbraw/zinc/61/98/01/540619801.db2.gz	LWDBTXGVPDUUQQ-RHSMWYFYSA-N	1	0	351.447	1.943	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CC[C@]1(C)CCC(=O)N1	ZINC000537726807	540765266	/nfs/dbraw/zinc/76/52/66/540765266.db2.gz	LSIQFYOBYSVKLD-FQEVSTJZSA-N	1	0	356.470	1.897	20	30		FDEDRO
C=CC[C@H](CO)CNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000538187519	540822605	/nfs/dbraw/zinc/82/26/05/540822605.db2.gz	JOYXXHDACMITLI-SFHVURJKSA-N	1	0	360.502	1.683	20	30		FDEDRO
CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N	ZINC000275450285	181321189	/nfs/dbraw/zinc/32/11/89/181321189.db2.gz	SJMSDUVAIQIVDL-UHFFFAOYSA-N	1	0	367.409	1.704	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000543218122	541553081	/nfs/dbraw/zinc/55/30/81/541553081.db2.gz	NQKFOPIKLRWMNX-DZGCQCFKSA-N	1	0	374.441	1.121	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3CC[N@@H+](C4CC4)C3)C2=O)cc1	ZINC000543723253	541645976	/nfs/dbraw/zinc/64/59/76/541645976.db2.gz	DSCXAJMQISPQCR-YJBOKZPZSA-N	1	0	367.453	1.590	20	30		FDEDRO
CS[C@@H]1CN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C[C@@H]1[NH+](C)C	ZINC000282724873	182048383	/nfs/dbraw/zinc/04/83/83/182048383.db2.gz	LYYRSMWOIBJELN-DLBZAZTESA-N	1	0	355.467	1.862	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1	ZINC000282816167	182060090	/nfs/dbraw/zinc/06/00/90/182060090.db2.gz	RLAXJNBGBBOOJL-UHFFFAOYSA-N	1	0	367.453	1.709	20	30		FDEDRO
N#Cc1ccc(OCC[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)cc1	ZINC000282919925	182076275	/nfs/dbraw/zinc/07/62/75/182076275.db2.gz	XVRJPKYKJVWTIH-UHFFFAOYSA-N	1	0	363.483	1.827	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)NCCCCC[NH+]2CCCCC2)c1	ZINC000283531245	182208339	/nfs/dbraw/zinc/20/83/39/182208339.db2.gz	DEVLAXQEIQNYDV-UHFFFAOYSA-N	1	0	356.470	1.947	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1	ZINC000545295940	541928445	/nfs/dbraw/zinc/92/84/45/541928445.db2.gz	MIHNCNFBCFUIMQ-INIZCTEOSA-N	1	0	370.453	1.982	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)CN1CC(n2cc(C(=O)OC)nn2)C1	ZINC000545343984	541942534	/nfs/dbraw/zinc/94/25/34/541942534.db2.gz	JMMSQUGZUCRAAG-MRXNPFEDSA-N	1	0	372.425	1.090	20	30		FDEDRO
C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NCc2cccc(C#N)c2)C1	ZINC000284059779	182352132	/nfs/dbraw/zinc/35/21/32/182352132.db2.gz	QPNKMQMLCMJYTM-HZPDHXFCSA-N	1	0	356.470	1.659	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccc(C#N)cc1	ZINC000284185706	182393393	/nfs/dbraw/zinc/39/33/93/182393393.db2.gz	ZUTUOTZMKXICHS-KDOFPFPSSA-N	1	0	354.454	1.869	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC1(C[NH+](C)C)CCC1	ZINC000545959912	542059297	/nfs/dbraw/zinc/05/92/97/542059297.db2.gz	NUFMETGVJLEFPC-UHFFFAOYSA-N	1	0	354.458	1.751	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1	ZINC000546003586	542072452	/nfs/dbraw/zinc/07/24/52/542072452.db2.gz	UCPLQLZCCSPBMD-CQSZACIVSA-N	1	0	358.442	1.744	20	30		FDEDRO
CN(C)S(=O)(=O)CC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000286319890	183038899	/nfs/dbraw/zinc/03/88/99/183038899.db2.gz	HPMNASWMNIRUHF-UHFFFAOYSA-N	1	0	364.471	1.100	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1	ZINC000286529464	183088662	/nfs/dbraw/zinc/08/86/62/183088662.db2.gz	YBXSVKSJQYHKMR-CVEARBPZSA-N	1	0	360.433	1.361	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C	ZINC000287125478	183217626	/nfs/dbraw/zinc/21/76/26/183217626.db2.gz	MDABLIPJWBSMTE-KRWDZBQOSA-N	1	0	358.486	1.999	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C	ZINC000287220968	183239268	/nfs/dbraw/zinc/23/92/68/183239268.db2.gz	RKYCPOQMVWLGTG-KRWDZBQOSA-N	1	0	358.486	1.999	20	30		FDEDRO
C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1	ZINC000287709659	183362918	/nfs/dbraw/zinc/36/29/18/183362918.db2.gz	QVEZOQATHZHQCT-SNVBAGLBSA-N	1	0	365.231	1.327	20	30		FDEDRO
C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCN2CCO[C@H]1C2	ZINC000295432211	184070455	/nfs/dbraw/zinc/07/04/55/184070455.db2.gz	ODTBNKXRBOQTJP-IRXDYDNUSA-N	1	0	362.861	1.945	20	30		FDEDRO
CC(C)(C[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1)C(N)=O	ZINC000295770839	184102873	/nfs/dbraw/zinc/10/28/73/184102873.db2.gz	YLPSYSLZSJQVHM-SJORKVTESA-N	1	0	359.470	1.912	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)NCc3ccc4c[nH+]cn4c3)C2)nc1	ZINC000297628480	184298917	/nfs/dbraw/zinc/29/89/17/184298917.db2.gz	UKBQAVFNJJKLFH-QGZVFWFLSA-N	1	0	362.393	1.964	20	30		FDEDRO
C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1	ZINC000547274388	542294829	/nfs/dbraw/zinc/29/48/29/542294829.db2.gz	WLZWECLLQIFYNU-LJQANCHMSA-N	1	0	352.394	1.542	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-c3nc[nH]n3)cc2)c1C#N	ZINC000547784931	542447703	/nfs/dbraw/zinc/44/77/03/542447703.db2.gz	WSFOZAZHYUKXMP-UHFFFAOYSA-N	1	0	350.386	1.471	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2nnn(C)n2)[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001087200974	781977608	/nfs/dbraw/zinc/97/76/08/781977608.db2.gz	WMTCGUQYGHBDGF-CJNGLKHVSA-N	1	0	353.430	1.112	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NCc2ccc(C#N)cc2)CC1	ZINC000171751340	258269340	/nfs/dbraw/zinc/26/93/40/258269340.db2.gz	YLKDTYZDOMLLPJ-IBGZPJMESA-N	1	0	355.486	1.870	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2c(C)cc(C)[nH]c2=O)CC1	ZINC000549791907	542940522	/nfs/dbraw/zinc/94/05/22/542940522.db2.gz	QSCIVMBNJVPFAC-UHFFFAOYSA-N	1	0	360.458	1.177	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCc2ccc3c(c2)OCO3)CC1	ZINC000550116294	543011607	/nfs/dbraw/zinc/01/16/07/543011607.db2.gz	POGIXNZYQPMZPH-UHFFFAOYSA-N	1	0	373.453	1.231	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1	ZINC000550313785	543065908	/nfs/dbraw/zinc/06/59/08/543065908.db2.gz	NUKLGCVZYILMPW-ZDUSSCGKSA-N	1	0	356.348	1.813	20	30		FDEDRO
C[N@@H+]1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1(C)C	ZINC000551040156	543221392	/nfs/dbraw/zinc/22/13/92/543221392.db2.gz	VPDUDJSDIKNJLG-UHFFFAOYSA-N	1	0	352.442	1.708	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@@H](C)O[C@H](CC)C1)C(C)C	ZINC000551219112	543254238	/nfs/dbraw/zinc/25/42/38/543254238.db2.gz	QMEVPJHZVBWYJC-KZNAEPCWSA-N	1	0	365.518	1.827	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)Nc1ccc(OC[C@H](O)C[NH+](C)C)cc1	ZINC000551546996	543300756	/nfs/dbraw/zinc/30/07/56/543300756.db2.gz	UZVRGBWGYKTVBS-MRXNPFEDSA-N	1	0	354.410	1.815	20	30		FDEDRO
CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1	ZINC000551657616	543318206	/nfs/dbraw/zinc/31/82/06/543318206.db2.gz	PMLPGZCZLJVEAM-MRXNPFEDSA-N	1	0	371.485	1.312	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1	ZINC000551849156	543353268	/nfs/dbraw/zinc/35/32/68/543353268.db2.gz	RQKPTAZWGVBFET-HOCLYGCPSA-N	1	0	351.491	1.463	20	30		FDEDRO
C[N@@H+]1CC[C@](O)(CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1	ZINC000552433860	543466521	/nfs/dbraw/zinc/46/65/21/543466521.db2.gz	FHFZSZMUXWWAPE-IBGZPJMESA-N	1	0	360.433	1.097	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]C[C@@H](O)COc3ccc(F)c(F)c3)cnc12	ZINC000552413018	543463600	/nfs/dbraw/zinc/46/36/00/543463600.db2.gz	GAOQNTLIRDTINL-CYBMUJFWSA-N	1	0	359.336	1.409	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000552521602	543480283	/nfs/dbraw/zinc/48/02/83/543480283.db2.gz	NCAARNGRODASEQ-RDJZCZTQSA-N	1	0	361.511	1.659	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CCCC)CC1	ZINC000552851827	543526998	/nfs/dbraw/zinc/52/69/98/543526998.db2.gz	UKFNUILWMVDKFA-RDJZCZTQSA-N	1	0	351.491	1.465	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3CCC(C(C)C)CC3)CC2)o1	ZINC000072717964	172048493	/nfs/dbraw/zinc/04/84/93/172048493.db2.gz	UVOORJUYAKHPPM-UHFFFAOYSA-N	1	0	359.474	1.871	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1	ZINC000073121162	172058114	/nfs/dbraw/zinc/05/81/14/172058114.db2.gz	IVNCSWSKNAGMAC-GOSISDBHSA-N	1	0	356.470	1.705	20	30		FDEDRO
C[NH+]1CCC(NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1	ZINC000076586650	172112002	/nfs/dbraw/zinc/11/20/02/172112002.db2.gz	ABZYQJHADMQBSZ-UHFFFAOYSA-N	1	0	352.341	1.309	20	30		FDEDRO
C[C@H](CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)N1CC[NH+](C)CC1	ZINC000078050135	172142329	/nfs/dbraw/zinc/14/23/29/172142329.db2.gz	XLKJEUDXNHYBSV-GFCCVEGCSA-N	1	0	356.879	1.126	20	30		FDEDRO
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCCC[NH+]2CCCCC2)n1	ZINC000091191343	172276525	/nfs/dbraw/zinc/27/65/25/172276525.db2.gz	BPRJINGRDKEDNP-UHFFFAOYSA-N	1	0	360.462	1.440	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)n1	ZINC000091240470	172280584	/nfs/dbraw/zinc/28/05/84/172280584.db2.gz	BGWZZNGWYUAPFO-OAHLLOKOSA-N	1	0	372.473	1.609	20	30		FDEDRO
Cc1conc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000126445053	173041713	/nfs/dbraw/zinc/04/17/13/173041713.db2.gz	MJDUPKIYMMMMLZ-UHFFFAOYSA-N	1	0	355.398	1.384	20	30		FDEDRO
COCCC[N@H+](CCCOc1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000126965963	173061199	/nfs/dbraw/zinc/06/11/99/173061199.db2.gz	KXEAFDNBRZDKLE-QGZVFWFLSA-N	1	0	366.483	1.853	20	30		FDEDRO
CC[C@H](CO)[NH+]1CCN(CC(=O)Nc2sc(C)c(C)c2C#N)CC1	ZINC000177351363	174123154	/nfs/dbraw/zinc/12/31/54/174123154.db2.gz	JMFKGQBIOYZAKO-CQSZACIVSA-N	1	0	350.488	1.564	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)/C=C/c2ccccc2C#N)CC1	ZINC000178148112	174174829	/nfs/dbraw/zinc/17/48/29/174174829.db2.gz	MPQSDVAKFXXLFM-GFOMBABLSA-N	1	0	352.438	1.336	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1	ZINC000181473367	174227918	/nfs/dbraw/zinc/22/79/18/174227918.db2.gz	BDKMFPZTYNLLRK-GOSISDBHSA-N	1	0	371.462	1.603	20	30		FDEDRO
Cc1nc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)ccc1C#N	ZINC000179433357	258350567	/nfs/dbraw/zinc/35/05/67/258350567.db2.gz	VRQPFRNYNMHIMO-QUCCMNQESA-N	1	0	364.449	1.875	20	30		FDEDRO
Cn1cc(C[NH2+]CCC(=O)N2CCN(C)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000180168487	258363428	/nfs/dbraw/zinc/36/34/28/258363428.db2.gz	YEYWLVDTVKQQSJ-UHFFFAOYSA-N	1	0	366.469	1.212	20	30		FDEDRO
Cc1nc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)no1	ZINC000173545058	258302612	/nfs/dbraw/zinc/30/26/12/258302612.db2.gz	KDKSVWNAVYCUJI-UHFFFAOYSA-N	1	0	354.414	1.667	20	30		FDEDRO
C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)C1	ZINC000176559778	258324892	/nfs/dbraw/zinc/32/48/92/258324892.db2.gz	SUMGXSYUIAADOR-DLBZAZTESA-N	1	0	356.474	1.658	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)c1C#N	ZINC000178782912	258335478	/nfs/dbraw/zinc/33/54/78/258335478.db2.gz	KDPBPYWMDKGKND-HNNXBMFYSA-N	1	0	363.483	1.741	20	30		FDEDRO
CC[N@H+](CCO)CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000184340588	258381265	/nfs/dbraw/zinc/38/12/65/258381265.db2.gz	NSLHZYZCXLBPDZ-UHFFFAOYSA-N	1	0	365.377	1.170	20	30		FDEDRO
N#Cc1cccnc1-n1cc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cn1	ZINC000184600539	258382158	/nfs/dbraw/zinc/38/21/58/258382158.db2.gz	MHMBWJUPQAUKOK-INIZCTEOSA-N	1	0	351.414	1.841	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1CCC[N@H+]1CCOC	ZINC000553275658	543600767	/nfs/dbraw/zinc/60/07/67/543600767.db2.gz	NKCJMWDUROFQPD-GOSISDBHSA-N	1	0	359.470	1.428	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2SCC)CC1	ZINC000553669545	543677765	/nfs/dbraw/zinc/67/77/65/543677765.db2.gz	GKOYHCJJYYRFJK-HZPDHXFCSA-N	1	0	353.532	1.934	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@]2(C)CCCO)CC1	ZINC000553673702	543678558	/nfs/dbraw/zinc/67/85/58/543678558.db2.gz	AMQLRBCAPGHYDC-IBGZPJMESA-N	1	0	351.491	1.297	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000554707481	543857268	/nfs/dbraw/zinc/85/72/68/543857268.db2.gz	NYLMOPPHJMRWCL-UHFFFAOYSA-N	1	0	370.494	1.342	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1	ZINC000555739351	544017725	/nfs/dbraw/zinc/01/77/25/544017725.db2.gz	JMMTVPHUUUTUDG-IAGOWNOFSA-N	1	0	365.518	1.855	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)cc1	ZINC000555761774	544024431	/nfs/dbraw/zinc/02/44/31/544024431.db2.gz	LCRXJUHSEYFZGB-ZWKOTPCHSA-N	1	0	364.467	1.242	20	30		FDEDRO
C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1	ZINC000555680495	544004321	/nfs/dbraw/zinc/00/43/21/544004321.db2.gz	RSIUEHIMLXCNSU-LJQANCHMSA-N	1	0	353.426	1.260	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1	ZINC000555691165	544006421	/nfs/dbraw/zinc/00/64/21/544006421.db2.gz	FXMZRKPLHXIONQ-KRWDZBQOSA-N	1	0	361.511	1.975	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000555802840	544032653	/nfs/dbraw/zinc/03/26/53/544032653.db2.gz	SRXITOPGRADTSF-LJQANCHMSA-N	1	0	363.465	1.980	20	30		FDEDRO
C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)C[C@@H](C)C1	ZINC000556488603	544148245	/nfs/dbraw/zinc/14/82/45/544148245.db2.gz	FBSDQSSTHOBRGO-DCGLDWPTSA-N	1	0	358.417	1.825	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1	ZINC000556489801	544148774	/nfs/dbraw/zinc/14/87/74/544148774.db2.gz	KKVBEMJAIMKLLY-SUNYJGFJSA-N	1	0	354.454	1.994	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H](Cc1ccccc1)C(=O)OC	ZINC000556514328	544151708	/nfs/dbraw/zinc/15/17/08/544151708.db2.gz	BZLOBHRQBSUFCH-IJEWVQPXSA-N	1	0	361.442	1.397	20	30		FDEDRO
N#Cc1cnc2ccccc2c1N1CCN(C(=O)N[C@@H](C[NH3+])C2CC2)CC1	ZINC000557213824	544263455	/nfs/dbraw/zinc/26/34/55/544263455.db2.gz	URNNQHYNSBWQSF-SFHVURJKSA-N	1	0	364.453	1.675	20	30		FDEDRO
C[NH+](C)C[C@@H](NC(=O)CNc1ccc(C#N)cn1)c1ccc(Cl)cc1	ZINC000558973836	544563513	/nfs/dbraw/zinc/56/35/13/544563513.db2.gz	UEGPCFXMBAULHK-MRXNPFEDSA-N	1	0	357.845	2.438	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)C1	ZINC000559441988	544686678	/nfs/dbraw/zinc/68/66/78/544686678.db2.gz	OTGLCOBDXFPTPM-QAPCUYQASA-N	1	0	372.469	1.208	20	30		FDEDRO
CCC(CC)[C@H](CNC(=O)C(=O)N1CCc2ccc(C#N)cc21)[NH+](C)C	ZINC000559474616	544700725	/nfs/dbraw/zinc/70/07/25/544700725.db2.gz	VIZVAPFNJKHASK-SFHVURJKSA-N	1	0	356.470	1.930	20	30		FDEDRO
Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1	ZINC000282572662	258708141	/nfs/dbraw/zinc/70/81/41/258708141.db2.gz	VXKGGKZAHWYDKH-UHFFFAOYSA-N	1	0	366.469	1.902	20	30		FDEDRO
C=CCn1c(-c2nnn(C)c2C)nnc1N1CCC(C[NH+]2CCCC2)CC1	ZINC000560351637	544970461	/nfs/dbraw/zinc/97/04/61/544970461.db2.gz	UAMBQCLWJAJXAW-UHFFFAOYSA-N	1	0	370.505	1.880	20	30		FDEDRO
Cn1c(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(C#N)c(=O)n(C)c1=O	ZINC000301428395	259027676	/nfs/dbraw/zinc/02/76/76/259027676.db2.gz	PRRDLNSYCPYRBU-SWLSCSKDSA-N	1	0	373.482	1.512	20	30		FDEDRO
CCc1nnc(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c(C#N)c1CC	ZINC000301962705	259036706	/nfs/dbraw/zinc/03/67/06/259036706.db2.gz	NBRCRBSNNQJXIS-KRWDZBQOSA-N	1	0	356.474	1.392	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2OCCN([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)[C@H]2C1	ZINC000329017834	259072710	/nfs/dbraw/zinc/07/27/10/259072710.db2.gz	KTIHUUSOLFZULJ-QYZOEREBSA-N	1	0	354.454	1.459	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1	ZINC000329123266	259079024	/nfs/dbraw/zinc/07/90/24/259079024.db2.gz	XCSNGUIEIKSXCP-DLBZAZTESA-N	1	0	370.497	1.952	20	30		FDEDRO
CC[NH+](CC)CCS(=O)(=O)N1CCCN(c2ccccc2C#N)CC1	ZINC000331421029	259194196	/nfs/dbraw/zinc/19/41/96/259194196.db2.gz	ATOKEADWYRDXDA-UHFFFAOYSA-N	1	0	364.515	1.742	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1	ZINC000331757807	259217891	/nfs/dbraw/zinc/21/78/91/259217891.db2.gz	APOKTSIWAZRXOZ-INIZCTEOSA-N	1	0	355.442	1.542	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC1CCC([NH+](C)C)CC1	ZINC000332504195	259271586	/nfs/dbraw/zinc/27/15/86/259271586.db2.gz	HMBZHKJPKLGIPM-QQFBHYJXSA-N	1	0	371.489	1.441	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+]	ZINC000332556064	259277215	/nfs/dbraw/zinc/27/72/15/259277215.db2.gz	RYNOEQPCMVSQPA-RBSFLKMASA-N	1	0	357.462	1.086	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C	ZINC000332568595	259277985	/nfs/dbraw/zinc/27/79/85/259277985.db2.gz	CAFISTCSJZRLKY-ZIAGYGMSSA-N	1	0	354.458	1.701	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C	ZINC000332628956	259284291	/nfs/dbraw/zinc/28/42/91/259284291.db2.gz	VZJHUXSVLRQRRT-QWHCGFSZSA-N	1	0	354.458	1.701	20	30		FDEDRO
N#Cc1ccc(SCC(=O)N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)cc1	ZINC000333467119	259350881	/nfs/dbraw/zinc/35/08/81/259350881.db2.gz	FJPVNNCZEVHFGX-MRXNPFEDSA-N	1	0	372.494	1.463	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CC[C@@]4(CC[NH2+]C4)C3)C2=O)cc1	ZINC000333579042	259360798	/nfs/dbraw/zinc/36/07/98/259360798.db2.gz	NLBCPZMGBHYJOT-YLJYHZDGSA-N	1	0	367.453	1.054	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@]4(CC[NH2+]C4)C3)C2=O)cc1	ZINC000333593879	259361987	/nfs/dbraw/zinc/36/19/87/259361987.db2.gz	OSIHFBDBJQYPIG-PXNSSMCTSA-N	1	0	367.453	1.449	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1F	ZINC000333647062	259366042	/nfs/dbraw/zinc/36/60/42/259366042.db2.gz	JEQALGLJVZPJRK-IAGOWNOFSA-N	1	0	367.446	1.604	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1	ZINC000333667264	259368253	/nfs/dbraw/zinc/36/82/53/259368253.db2.gz	MNPNCEJKLWARNK-FUHWJXTLSA-N	1	0	363.483	1.774	20	30		FDEDRO
Cc1cc(S(=O)(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)ccc1C#N	ZINC000333697120	259370860	/nfs/dbraw/zinc/37/08/60/259370860.db2.gz	QIAXKLOWYARAKU-SJLPKXTDSA-N	1	0	363.483	1.774	20	30		FDEDRO
C[NH+]1CCC(CNc2nc3c(cc2C#N)CCC3)(N2CCOCC2)CC1	ZINC000334112963	259411295	/nfs/dbraw/zinc/41/12/95/259411295.db2.gz	DPDUOBXEMMDEAU-UHFFFAOYSA-N	1	0	355.486	1.650	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1C(F)(F)F	ZINC000366366443	259931434	/nfs/dbraw/zinc/93/14/34/259931434.db2.gz	YUEDWVOKNJZQMU-HZMBPMFUSA-N	1	0	359.373	1.950	20	30		FDEDRO
C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000367438061	260041619	/nfs/dbraw/zinc/04/16/19/260041619.db2.gz	ZYENDVNGKKSJOA-DYVFJYSZSA-N	1	0	358.446	1.511	20	30		FDEDRO
Cn1cc([C@H]2C[N@H+](Cc3ccc(F)c(C#N)c3Cl)C[C@@H]2C(N)=O)cn1	ZINC000367489383	260050262	/nfs/dbraw/zinc/05/02/62/260050262.db2.gz	LTDGCSDGIMGOIR-KGLIPLIRSA-N	1	0	361.808	1.785	20	30		FDEDRO
C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CCn1cnc(C#N)n1	ZINC000367527478	260055852	/nfs/dbraw/zinc/05/58/52/260055852.db2.gz	OWKILMKXBJCGFN-ZIAGYGMSSA-N	1	0	364.450	1.154	20	30		FDEDRO
C[C@@](O)(C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)CN1CCOCC1	ZINC000367614017	260068420	/nfs/dbraw/zinc/06/84/20/260068420.db2.gz	FCPMIOSNAAUPJN-HXUWFJFHSA-N	1	0	358.486	1.200	20	30		FDEDRO
CN(C)C(=O)N1CCC([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CC1	ZINC000367646198	260072005	/nfs/dbraw/zinc/07/20/05/260072005.db2.gz	PVLWQOYECNQRRD-UHFFFAOYSA-N	1	0	356.474	1.658	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1	ZINC000368152072	260141891	/nfs/dbraw/zinc/14/18/91/260141891.db2.gz	LQIOMAZOOAKMJS-IFXJQAMLSA-N	1	0	374.464	1.598	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)C[C@H]21	ZINC000368592609	260206478	/nfs/dbraw/zinc/20/64/78/260206478.db2.gz	QQCQSZIJSBNJLI-CXAGYDPISA-N	1	0	350.426	1.492	20	30		FDEDRO
CC(C)(O)C[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1	ZINC000368816535	260241590	/nfs/dbraw/zinc/24/15/90/260241590.db2.gz	KKQLFPORNLRXPS-UHFFFAOYSA-N	1	0	371.890	1.679	20	30		FDEDRO
C[NH+](C)[C@@H]1CCc2ccccc2[C@H]1NS(=O)(=O)c1ccc(C#N)nc1	ZINC000369464255	260372063	/nfs/dbraw/zinc/37/20/63/260372063.db2.gz	BYKKANCFCGSSAM-QZTJIDSGSA-N	1	0	356.451	1.849	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(C#N)nc2)[C@@H]1c1cccs1	ZINC000369539978	260386669	/nfs/dbraw/zinc/38/66/69/260386669.db2.gz	LGXBINRGOQSLQG-BLLLJJGKSA-N	1	0	362.480	1.986	20	30		FDEDRO
CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCC(n2cnc(C#N)n2)CC1	ZINC000373431966	261010481	/nfs/dbraw/zinc/01/04/81/261010481.db2.gz	RPFCHVOXSHXCTF-OAHLLOKOSA-N	1	0	359.478	1.761	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)o1	ZINC000373476266	261013718	/nfs/dbraw/zinc/01/37/18/261013718.db2.gz	VJUGOIYJPMNJGV-CVEARBPZSA-N	1	0	373.457	1.051	20	30		FDEDRO
CNS(=O)(=O)[C@H]1CCCN(Cc2cccn2Cc2ccccc2C#N)C1	ZINC000373683484	261030842	/nfs/dbraw/zinc/03/08/42/261030842.db2.gz	VZSAAORITXIYJZ-IBGZPJMESA-N	1	0	372.494	1.922	20	30		FDEDRO
C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC[N@@H+]1C	ZINC000373697916	261032629	/nfs/dbraw/zinc/03/26/29/261032629.db2.gz	CFQDSHXQTXFTHK-MNEFBYGVSA-N	1	0	368.481	1.990	20	30		FDEDRO
CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2cnc3ccc(C#N)cn23)C1	ZINC000374223564	261096599	/nfs/dbraw/zinc/09/65/99/261096599.db2.gz	DZSFBSDFHCWBQR-IBGZPJMESA-N	1	0	356.426	1.998	20	30		FDEDRO
C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C1CCN(c2cccnn2)CC1	ZINC000374546194	261151262	/nfs/dbraw/zinc/15/12/62/261151262.db2.gz	RLVKGJSCHZORFO-SFHVURJKSA-N	1	0	367.453	1.689	20	30		FDEDRO
CC(C)(C)NC(=O)CN1CCCN(Cc2cnc3ccc(C#N)cn23)CC1	ZINC000378339029	262009486	/nfs/dbraw/zinc/00/94/86/262009486.db2.gz	UYQASYRFDXGQTN-UHFFFAOYSA-N	1	0	368.485	1.628	20	30		FDEDRO
CN1CCO[C@@H]2CCN(C(=O)c3cccc(C#N)c3Br)C[C@@H]21	ZINC000408457597	262110161	/nfs/dbraw/zinc/11/01/61/262110161.db2.gz	BQHWMQPVCYMSKF-UONOGXRCSA-N	1	0	364.243	1.866	20	30		FDEDRO
C[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)n1cnc(C#N)n1	ZINC000409595150	262129039	/nfs/dbraw/zinc/12/90/39/262129039.db2.gz	FGVBBLPNUVYICT-DOTOQJQBSA-N	1	0	352.442	1.882	20	30		FDEDRO
C[C@@H](C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)n1cnc(C#N)n1	ZINC000409648102	262130275	/nfs/dbraw/zinc/13/02/75/262130275.db2.gz	ODXJMJZXMFVXKB-ZNMIVQPWSA-N	1	0	360.462	1.059	20	30		FDEDRO
C[C@H](NC(=O)[C@H](C)n1cnc(C#N)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000409924465	262145406	/nfs/dbraw/zinc/14/54/06/262145406.db2.gz	TWYHTHWUQLAWSR-YQQAZPJKSA-N	1	0	352.442	1.738	20	30		FDEDRO
CC(C)CNS(=O)(=O)c1ccc(CNC(=[NH2+])NC2CCCC2)cc1	ZINC000270420866	674208367	/nfs/dbraw/zinc/20/83/67/674208367.db2.gz	LCVAHDLEJFKESS-UHFFFAOYSA-N	1	0	352.504	1.968	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1	ZINC000972086534	782047827	/nfs/dbraw/zinc/04/78/27/782047827.db2.gz	SIPMRAJIUARDDO-CEXWTWQISA-N	1	0	357.498	1.722	20	30		FDEDRO
C[NH+](C)Cc1ccc(CNC(=O)C(=O)Nc2ccn(CCC#N)n2)cc1F	ZINC000476488702	489894069	/nfs/dbraw/zinc/89/40/69/489894069.db2.gz	FQBZTKWLFRAYHZ-UHFFFAOYSA-N	1	0	372.404	1.252	20	30		FDEDRO
C[C@H](NC(=O)C(=O)Nc1ccn(CCC#N)n1)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000513604811	490740540	/nfs/dbraw/zinc/74/05/40/490740540.db2.gz	XTINZGXPWAYHMI-GJZGRUSLSA-N	1	0	372.473	1.504	20	30		FDEDRO
C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000513761459	490746238	/nfs/dbraw/zinc/74/62/38/490746238.db2.gz	UWHHVBPVHCERFV-LBPRGKRZSA-N	1	0	372.404	1.278	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCCC2)nn1CCC#N	ZINC000504535899	490803419	/nfs/dbraw/zinc/80/34/19/490803419.db2.gz	JDJWAWPYKABLAG-OAHLLOKOSA-N	1	0	360.462	1.280	20	30		FDEDRO
C[C@H]1CN(C(=O)Nc2ccn(CCC#N)n2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000611201396	492281284	/nfs/dbraw/zinc/28/12/84/492281284.db2.gz	CNZXQPDEOYCQAT-HOTGVXAUSA-N	1	0	359.478	1.286	20	30		FDEDRO
N#Cc1ccc(CN2CC[NH+](C[C@@H](O)COCc3ccco3)CC2)cc1	ZINC000025226463	519045537	/nfs/dbraw/zinc/04/55/37/519045537.db2.gz	CTCJLOKKLFTPNL-LJQANCHMSA-N	1	0	355.438	1.847	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(C(=O)N3CCCC3)CC2)cc1	ZINC000025754723	519080328	/nfs/dbraw/zinc/08/03/28/519080328.db2.gz	ULTDBIVTJJPAKK-SFHVURJKSA-N	1	0	357.454	1.632	20	30		FDEDRO
CC1(C)NC(=O)N(CCN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1=O	ZINC000026913006	519145354	/nfs/dbraw/zinc/14/53/54/519145354.db2.gz	VOQFIUYTOIBGEE-UHFFFAOYSA-N	1	0	369.469	1.396	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCC[N@@H+](CC)C2)c1	ZINC000069138198	521816681	/nfs/dbraw/zinc/81/66/81/521816681.db2.gz	JBZSOPGNXRWPBJ-HNNXBMFYSA-N	1	0	365.499	1.613	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@@H]3COCCO3)CC2)cc1	ZINC000057081819	522000009	/nfs/dbraw/zinc/00/00/09/522000009.db2.gz	CJWDHPKMWDODBF-GOSISDBHSA-N	1	0	358.442	1.191	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1	ZINC000071064142	522092204	/nfs/dbraw/zinc/09/22/04/522092204.db2.gz	ZSZUVUBNGDFOSG-HNNXBMFYSA-N	1	0	370.453	1.908	20	30		FDEDRO
CCN1CC[NH+](CCCCNC(=O)C(=O)Nc2cc(C#N)ccc2C)CC1	ZINC000057666596	522122524	/nfs/dbraw/zinc/12/25/24/522122524.db2.gz	PPAQXALDDCUYSF-UHFFFAOYSA-N	1	0	371.485	1.339	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(=O)n(CCOC)n1)C(C)C	ZINC000046049162	522212816	/nfs/dbraw/zinc/21/28/16/522212816.db2.gz	WFYGZKINFVBGPV-QGZVFWFLSA-N	1	0	362.474	1.318	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1	ZINC000046862003	522370158	/nfs/dbraw/zinc/37/01/58/522370158.db2.gz	IOHANGYZKFIEDI-OAHLLOKOSA-N	1	0	363.483	1.060	20	30		FDEDRO
CN(CC(=O)NC1CCOCC1)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1	ZINC000328653953	522405370	/nfs/dbraw/zinc/40/53/70/522405370.db2.gz	XCLZSQGIDRYSMW-HNAYVOBHSA-N	1	0	363.506	1.870	20	30		FDEDRO
Cn1cc(CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cn1	ZINC000046993077	522416887	/nfs/dbraw/zinc/41/68/87/522416887.db2.gz	MFIFUBVWQCVFMH-UHFFFAOYSA-N	1	0	354.458	1.608	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1	ZINC000047264374	522483388	/nfs/dbraw/zinc/48/33/88/522483388.db2.gz	NFBOCWWVSHLNNM-DLBZAZTESA-N	1	0	363.483	1.508	20	30		FDEDRO
CC1CC[NH+](CCCNC(=O)N2CCN(c3ncccc3C#N)CC2)CC1	ZINC000074017153	522656737	/nfs/dbraw/zinc/65/67/37/522656737.db2.gz	MPGUQEPMUUIJGT-UHFFFAOYSA-N	1	0	370.501	1.907	20	30		FDEDRO
COc1ccccc1N1C[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)CC1=O	ZINC000064362027	522709387	/nfs/dbraw/zinc/70/93/87/522709387.db2.gz	XZRCNAYASHXVQX-INIZCTEOSA-N	1	0	372.469	1.742	20	30		FDEDRO
N#Cc1cccc(CNC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1	ZINC000049168120	522816707	/nfs/dbraw/zinc/81/67/07/522816707.db2.gz	FPCDGHGAOIZJCM-HXUWFJFHSA-N	1	0	364.449	1.777	20	30		FDEDRO
N#CCSCCC[NH+]1CCN(CC(=O)N2CCc3ccccc32)CC1	ZINC000074982086	522862715	/nfs/dbraw/zinc/86/27/15/522862715.db2.gz	CYYGFBMLFWWQEZ-UHFFFAOYSA-N	1	0	358.511	1.840	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1	ZINC000066222887	522988959	/nfs/dbraw/zinc/98/89/59/522988959.db2.gz	YXWFQZOITLZCRW-QGZVFWFLSA-N	1	0	370.453	1.238	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1	ZINC000076255421	523056228	/nfs/dbraw/zinc/05/62/28/523056228.db2.gz	XAXZSOFUTLWENO-AWEZNQCLSA-N	1	0	361.417	1.624	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1	ZINC000076272317	523060791	/nfs/dbraw/zinc/06/07/91/523060791.db2.gz	QYSYVGWKPVXTDJ-OAHLLOKOSA-N	1	0	359.401	1.473	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)C(=O)Nc3ccc(C#N)cc3)CC2)CC1	ZINC000051888770	523093558	/nfs/dbraw/zinc/09/35/58/523093558.db2.gz	JXYRWHNWLNMNSO-UHFFFAOYSA-N	1	0	369.469	1.172	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C(=O)N(C)CCCC)CC1	ZINC000052186965	523135094	/nfs/dbraw/zinc/13/50/94/523135094.db2.gz	PMLLVTMVHMHBKJ-AWEZNQCLSA-N	1	0	352.479	1.357	20	30		FDEDRO
C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000076602156	523145946	/nfs/dbraw/zinc/14/59/46/523145946.db2.gz	BIGWNNRDYCOUGA-JTQLQIEISA-N	1	0	354.357	1.555	20	30		FDEDRO
CCC[N@H+](CC(=O)N1CCC[C@H](NC(C)=O)C1)Cc1ccc(C#N)cc1	ZINC000076995425	523233709	/nfs/dbraw/zinc/23/37/09/523233709.db2.gz	DESDKNAVZKAPFB-IBGZPJMESA-N	1	0	356.470	1.897	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCC2)cc1	ZINC000052679140	523236394	/nfs/dbraw/zinc/23/63/94/523236394.db2.gz	ZLJQKNSHNFJMKL-CQSZACIVSA-N	1	0	358.442	1.141	20	30		FDEDRO
CCS(=O)(=O)N(C)C1CC[NH+](CCOc2ccccc2C#N)CC1	ZINC000066879810	523240904	/nfs/dbraw/zinc/24/09/04/523240904.db2.gz	UQTQCOJGXNZKTJ-UHFFFAOYSA-N	1	0	351.472	1.683	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1	ZINC000053049659	523334382	/nfs/dbraw/zinc/33/43/82/523334382.db2.gz	HKGMIMIFDZTUHI-OAHLLOKOSA-N	1	0	374.460	1.914	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1	ZINC000067374244	523412749	/nfs/dbraw/zinc/41/27/49/523412749.db2.gz	JVVXIBJMKXWZAM-AWEZNQCLSA-N	1	0	358.442	1.744	20	30		FDEDRO
O=C(Nc1ncn(Cc2ccccc2)n1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000077709438	523426228	/nfs/dbraw/zinc/42/62/28/523426228.db2.gz	TWJTYZOQPQEXTO-HZPDHXFCSA-N	1	0	368.441	1.657	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)CC1	ZINC000067846066	523608168	/nfs/dbraw/zinc/60/81/68/523608168.db2.gz	IVAQCZRPPZDXMZ-SFHVURJKSA-N	1	0	369.509	1.869	20	30		FDEDRO
N#CCSCC(=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1	ZINC000068500089	523804366	/nfs/dbraw/zinc/80/43/66/523804366.db2.gz	OZJLGMKJHKBPJE-UHFFFAOYSA-N	1	0	366.531	1.474	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1	ZINC000156549486	524100328	/nfs/dbraw/zinc/10/03/28/524100328.db2.gz	QCIYTEBRHPPIBU-HIFRSBDPSA-N	1	0	351.472	1.350	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)Cn2cc(C#N)c(=O)c3ccccc32)CC1	ZINC000172083196	524114209	/nfs/dbraw/zinc/11/42/09/524114209.db2.gz	IUDFWZQGMAKKBY-UHFFFAOYSA-N	1	0	352.438	1.862	20	30		FDEDRO
CCC[NH+]1CCC(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1	ZINC000156751086	524142411	/nfs/dbraw/zinc/14/24/11/524142411.db2.gz	WNZXLCJGZYPKHJ-UHFFFAOYSA-N	1	0	366.443	1.961	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N(C)CCCN1CC[NH+](C)CC1	ZINC000110867624	524148920	/nfs/dbraw/zinc/14/89/20/524148920.db2.gz	IAAYDEQICGNFFW-UHFFFAOYSA-N	1	0	360.458	1.042	20	30		FDEDRO
C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000172326058	524202518	/nfs/dbraw/zinc/20/25/18/524202518.db2.gz	YZIMCRSPOPOQJD-NYYVXDNCSA-N	1	0	362.474	1.386	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)CN2CC[NH+](CC3CCOCC3)CC2)cc1	ZINC000172427062	524221201	/nfs/dbraw/zinc/22/12/01/524221201.db2.gz	AZVIFFYZEKFKPA-LJQANCHMSA-N	1	0	359.470	1.342	20	30		FDEDRO
[NH2+]=C(NCc1ccnc(N2CCOCC2)c1)N[C@@H]1CCOc2ccccc21	ZINC000083037800	524233973	/nfs/dbraw/zinc/23/39/73/524233973.db2.gz	MYOGQABTRCLGTQ-QGZVFWFLSA-N	1	0	367.453	1.846	20	30		FDEDRO
C=CC1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1	ZINC000111259016	524237561	/nfs/dbraw/zinc/23/75/61/524237561.db2.gz	IOSSLGJDBQKMNF-KGLIPLIRSA-N	1	0	365.499	1.798	20	30		FDEDRO
CN(C(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N)c1ccc([N+](=O)[O-])cc1	ZINC000121488294	524273680	/nfs/dbraw/zinc/27/36/80/524273680.db2.gz	RFVKTQZWOZTTRB-UHFFFAOYSA-N	1	0	371.401	1.299	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)Cc2ccc(OCC#N)cc2)CC1	ZINC000111661214	524320432	/nfs/dbraw/zinc/32/04/32/524320432.db2.gz	LMKGXSJIVFQLSB-KRWDZBQOSA-N	1	0	358.486	1.521	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CN2CCN(c3ccccn3)CC2)CC1	ZINC000173161379	524337355	/nfs/dbraw/zinc/33/73/55/524337355.db2.gz	BJLHIYOVNBQPNS-UHFFFAOYSA-N	1	0	357.502	1.360	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[N@@H+]1CCCN(Cc2noc(C)n2)CC1	ZINC000157970715	524376421	/nfs/dbraw/zinc/37/64/21/524376421.db2.gz	QCRGKERAEQOSKD-UHFFFAOYSA-N	1	0	371.441	1.845	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000086447051	524390947	/nfs/dbraw/zinc/39/09/47/524390947.db2.gz	YNARUULXAWVVPP-OAHLLOKOSA-N	1	0	360.462	1.506	20	30		FDEDRO
C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccn(CCC#N)n2)C1	ZINC000086449858	524393529	/nfs/dbraw/zinc/39/35/29/524393529.db2.gz	NPMOKJZBLKULLG-GJZGRUSLSA-N	1	0	374.489	1.608	20	30		FDEDRO
C[NH+]=C(NCC[S@@](=O)C(C)(C)C)N1CCN(c2ccccc2)CC1	ZINC000088634927	524463036	/nfs/dbraw/zinc/46/30/36/524463036.db2.gz	XEFICMHQOVQZKB-DEOSSOPVSA-N	1	0	350.532	1.931	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCc3cccc(O)c3)=[NH+]C[C@@H]2C1	ZINC000089120733	524477548	/nfs/dbraw/zinc/47/75/48/524477548.db2.gz	AFAJFHWIKNVJSK-OAHLLOKOSA-N	1	0	360.458	1.815	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)CN1CCC(OCC[NH+]2CCCC2)CC1	ZINC000173961383	524492326	/nfs/dbraw/zinc/49/23/26/524492326.db2.gz	ZPXZEDCDCYKGFS-LJQANCHMSA-N	1	0	350.507	1.618	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)COc1ccccc1C#N	ZINC000150846012	524496876	/nfs/dbraw/zinc/49/68/76/524496876.db2.gz	HDFMNJQDXPQBLH-UHFFFAOYSA-N	1	0	352.394	1.736	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1	ZINC000122355662	524515186	/nfs/dbraw/zinc/51/51/86/524515186.db2.gz	WAIOFBIVGAUBLT-IRXDYDNUSA-N	1	0	358.486	1.715	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cccc(C(=O)OC)c2)c1C#N	ZINC000089662838	524518479	/nfs/dbraw/zinc/51/84/79/524518479.db2.gz	FWESYPDIDPJWFP-UHFFFAOYSA-N	1	0	355.398	1.401	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCCC2)N1CCN(c2cccs2)CC1	ZINC000158897186	524548219	/nfs/dbraw/zinc/54/82/19/524548219.db2.gz	JHBZOJXPYINRSP-UHFFFAOYSA-N	1	0	359.503	1.574	20	30		FDEDRO
Cc1ccc(CN(C(=O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)C2CC2)o1	ZINC000089942576	524554290	/nfs/dbraw/zinc/55/42/90/524554290.db2.gz	GLWOLKYOFMSNRG-UHFFFAOYSA-N	1	0	370.457	1.821	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1Cl	ZINC000158958860	524562121	/nfs/dbraw/zinc/56/21/21/524562121.db2.gz	FYCQATSSYDPYJE-CYBMUJFWSA-N	1	0	357.863	1.337	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC1	ZINC000123063807	524672434	/nfs/dbraw/zinc/67/24/34/524672434.db2.gz	KMXVRMIZSMIXFN-CQSZACIVSA-N	1	0	357.462	1.053	20	30		FDEDRO
CS[C@H]1CCCC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1	ZINC000091631881	524746801	/nfs/dbraw/zinc/74/68/01/524746801.db2.gz	QMZOVDHCUKSBMV-IRXDYDNUSA-N	1	0	352.548	1.896	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)CN2CCN(c3ncccc3C#N)CC2)CC1	ZINC000114454116	524805220	/nfs/dbraw/zinc/80/52/20/524805220.db2.gz	HSVCPTKARUGLBL-UHFFFAOYSA-N	1	0	370.501	1.064	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C	ZINC000152418419	524878593	/nfs/dbraw/zinc/87/85/93/524878593.db2.gz	BZJFFJWDLOIJHH-UHFFFAOYSA-N	1	0	372.473	1.235	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCS[C@@H](C(C)C)C2)CC1	ZINC000092618913	524899772	/nfs/dbraw/zinc/89/97/72/524899772.db2.gz	ASRUEZGGHVYEIL-DLBZAZTESA-N	1	0	352.548	1.752	20	30		FDEDRO
Cc1nc(-c2cccc(C#N)c2)nn1C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000152508604	524908244	/nfs/dbraw/zinc/90/82/44/524908244.db2.gz	WAYTZBWQUFDXLR-HBUWYVDXSA-N	1	0	355.442	1.595	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1	ZINC000124138724	524911842	/nfs/dbraw/zinc/91/18/42/524911842.db2.gz	RFNHAHWTCJLQPO-HIFRSBDPSA-N	1	0	363.483	1.506	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1	ZINC000124138957	524912340	/nfs/dbraw/zinc/91/23/40/524912340.db2.gz	RFNHAHWTCJLQPO-ZFWWWQNUSA-N	1	0	363.483	1.506	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)c1ccc(F)cc1	ZINC000124209471	524928760	/nfs/dbraw/zinc/92/87/60/524928760.db2.gz	SUVWIKRINXNQPX-HNNXBMFYSA-N	1	0	372.404	1.293	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CC(C)C)C(=O)NCCOC)CC1	ZINC000124363937	524967446	/nfs/dbraw/zinc/96/74/46/524967446.db2.gz	BTDJASCUSIOQGM-KRWDZBQOSA-N	1	0	368.522	1.503	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)cc1C#N	ZINC000161245184	525063447	/nfs/dbraw/zinc/06/34/47/525063447.db2.gz	FFQSVSZTHXJLAF-UHFFFAOYSA-N	1	0	360.458	1.988	20	30		FDEDRO
C[C@@H](CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1)C[NH+]1CCN(C)CC1	ZINC000153178438	525133906	/nfs/dbraw/zinc/13/39/06/525133906.db2.gz	GNDJTIVCUXCKSP-INIZCTEOSA-N	1	0	371.485	1.214	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(S(C)(=O)=O)c1	ZINC000176546285	525137220	/nfs/dbraw/zinc/13/72/20/525137220.db2.gz	ZBWUALUAIVLURB-UHFFFAOYSA-N	1	0	352.460	1.789	20	30		FDEDRO
Cc1nnnn1-c1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)ccc1F	ZINC000176560136	525138640	/nfs/dbraw/zinc/13/86/40/525138640.db2.gz	LBVJDARQCPIYQX-UHFFFAOYSA-N	1	0	374.424	1.809	20	30		FDEDRO
COc1ccc(CN(C)C(=O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)cc1	ZINC000153278921	525167402	/nfs/dbraw/zinc/16/74/02/525167402.db2.gz	PYSXHGBAYACOIJ-UHFFFAOYSA-N	1	0	370.457	1.395	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1	ZINC000161876872	525181437	/nfs/dbraw/zinc/18/14/37/525181437.db2.gz	JTSCSYHQUHSETE-MRXNPFEDSA-N	1	0	353.488	1.596	20	30		FDEDRO
C=CCOc1cc(OC)ccc1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1	ZINC000125290579	525187666	/nfs/dbraw/zinc/18/76/66/525187666.db2.gz	KWUZVTANJKMQSS-MRXNPFEDSA-N	1	0	361.486	1.873	20	30		FDEDRO
C[C@@H]1C[NH+](C[C@H](O)CN2CCN(c3ccccc3C#N)CC2)C[C@@H](C)O1	ZINC000101587233	525238582	/nfs/dbraw/zinc/23/85/82/525238582.db2.gz	STXGIARXAMDJSX-ZHALLVOQSA-N	1	0	358.486	1.150	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1	ZINC000177184372	525252496	/nfs/dbraw/zinc/25/24/96/525252496.db2.gz	DMBVXACXRNJDNY-HIFRSBDPSA-N	1	0	363.483	1.506	20	30		FDEDRO
CCN(CCC#N)C(=O)CN(C)C1CC[NH+](CCc2ccccn2)CC1	ZINC000177258299	525264265	/nfs/dbraw/zinc/26/42/65/525264265.db2.gz	NQRSPEKBHHFUAJ-UHFFFAOYSA-N	1	0	357.502	1.782	20	30		FDEDRO
C=CCNC(=O)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1	ZINC000102078356	525272933	/nfs/dbraw/zinc/27/29/33/525272933.db2.gz	SDBSKNRSDBVBBH-UHFFFAOYSA-N	1	0	358.442	1.742	20	30		FDEDRO
C=CC[C@@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1	ZINC000117077273	525285582	/nfs/dbraw/zinc/28/55/82/525285582.db2.gz	SLNNGCOROWXOFV-OAHLLOKOSA-N	1	0	372.469	1.484	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CNC(=O)c1ccccc1	ZINC000117239497	525290571	/nfs/dbraw/zinc/29/05/71/525290571.db2.gz	JQNMMISADNVXSY-UHFFFAOYSA-N	1	0	364.449	1.878	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000177512207	525302321	/nfs/dbraw/zinc/30/23/21/525302321.db2.gz	ZGOXGTKXZKOIQQ-IYBDPMFKSA-N	1	0	366.506	1.210	20	30		FDEDRO
[NH2+]=C(NCc1ccc(OCCOc2ccccc2)nc1)N1CCOCC1	ZINC000104170272	525397852	/nfs/dbraw/zinc/39/78/52/525397852.db2.gz	KCDGVRNEPQFIHR-UHFFFAOYSA-N	1	0	356.426	1.686	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCN(CC[NH+]2CCCC2)CC1	ZINC000178428556	525426048	/nfs/dbraw/zinc/42/60/48/525426048.db2.gz	YIHWABUJCGVPLR-UHFFFAOYSA-N	1	0	369.469	1.045	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CC)cc1	ZINC000118095695	525436027	/nfs/dbraw/zinc/43/60/27/525436027.db2.gz	OJMMBYYXKIVYCJ-MRXNPFEDSA-N	1	0	358.442	1.141	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H]1CN(C2CC2)CCO1	ZINC000127600524	525439903	/nfs/dbraw/zinc/43/99/03/525439903.db2.gz	AFEMJKZLYDBEOH-QGZVFWFLSA-N	1	0	359.474	1.326	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1	ZINC000127607330	525442116	/nfs/dbraw/zinc/44/21/16/525442116.db2.gz	CJCDPZTYIXUEFG-GOEBONIOSA-N	1	0	365.499	1.706	20	30		FDEDRO
Cc1cc(NC(=O)Cn2cnc(C#N)n2)ccc1OCC[NH+]1CCCC1	ZINC000178594833	525449201	/nfs/dbraw/zinc/44/92/01/525449201.db2.gz	AETZPHWFCQQINH-UHFFFAOYSA-N	1	0	354.414	1.572	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)NC1CCN(C(C)=O)CC1)C(C)C	ZINC000127796258	525466082	/nfs/dbraw/zinc/46/60/82/525466082.db2.gz	LPULNEJPHAATQR-SFHVURJKSA-N	1	0	350.507	1.995	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)c2cccc(C#N)c2)CC1=O	ZINC000105328726	525502181	/nfs/dbraw/zinc/50/21/81/525502181.db2.gz	KTRXHMOQCHUNSO-AEFFLSMTSA-N	1	0	354.454	1.854	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1	ZINC000178905621	525503179	/nfs/dbraw/zinc/50/31/79/525503179.db2.gz	PEBHGFLXCLFUDB-FUHWJXTLSA-N	1	0	372.469	1.000	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)c(F)c1	ZINC000105722244	525528866	/nfs/dbraw/zinc/52/88/66/525528866.db2.gz	ZWQVEAAXUJBQKY-UHFFFAOYSA-N	1	0	360.433	1.951	20	30		FDEDRO
COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	ZINC000105730435	525531692	/nfs/dbraw/zinc/53/16/92/525531692.db2.gz	QJOUUXFNVLBEQD-UHFFFAOYSA-N	1	0	352.822	1.187	20	30		FDEDRO
CC[C@@H](CC#N)NC(=O)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1	ZINC000128361775	525533367	/nfs/dbraw/zinc/53/33/67/525533367.db2.gz	ZKSSNSAAQAAUOI-INIZCTEOSA-N	1	0	371.485	1.964	20	30		FDEDRO
CCN(CCC(=O)Nc1sc2c(c1C#N)CCC2)CCS(C)(=O)=O	ZINC000154460170	525540267	/nfs/dbraw/zinc/54/02/67/525540267.db2.gz	FEOUEUGAQXOQKX-UHFFFAOYSA-N	1	0	369.512	1.804	20	30		FDEDRO
C[C@](O)(CNC(=[NH2+])NCCCN1CCOCC1)c1ccccc1Cl	ZINC000154570385	525576834	/nfs/dbraw/zinc/57/68/34/525576834.db2.gz	ICKXZLBKVYAASJ-KRWDZBQOSA-N	1	0	354.882	1.174	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCN1CCN(S(=O)(=O)c2ccccc2C#N)CC1	ZINC000179401098	525577875	/nfs/dbraw/zinc/57/78/75/525577875.db2.gz	INGIYRPYZXQVFU-KRWDZBQOSA-N	1	0	362.499	1.349	20	30		FDEDRO
C=CCn1c(SCC(=O)NCCC[NH+](C)C)nnc1-c1cnccn1	ZINC000179985946	525649324	/nfs/dbraw/zinc/64/93/24/525649324.db2.gz	POSRMPMOXQKWFZ-UHFFFAOYSA-N	1	0	361.475	1.081	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccn(-c3ccccc3)n2)CC1	ZINC000106348979	525699267	/nfs/dbraw/zinc/69/92/67/525699267.db2.gz	SICFMPMRGSGNKL-UHFFFAOYSA-N	1	0	367.453	1.968	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1	ZINC000180396521	525700734	/nfs/dbraw/zinc/70/07/34/525700734.db2.gz	NZRAELWLRZNCLR-HOTGVXAUSA-N	1	0	374.485	1.397	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1	ZINC000180546126	525719362	/nfs/dbraw/zinc/71/93/62/525719362.db2.gz	YNQPUEVKTZMJKD-UHFFFAOYSA-N	1	0	350.488	1.562	20	30		FDEDRO
CC[NH+](CC)CCNS(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000155040394	525723251	/nfs/dbraw/zinc/72/32/51/525723251.db2.gz	QFYZQAWXHJMJMG-UHFFFAOYSA-N	1	0	360.277	1.941	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21	ZINC000119464232	525754378	/nfs/dbraw/zinc/75/43/78/525754378.db2.gz	UUGRFYTYSABQPH-CRAIPNDOSA-N	1	0	356.470	1.739	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N[C@H](CC)[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000180823232	525759784	/nfs/dbraw/zinc/75/97/84/525759784.db2.gz	JUYDZJWYJXOEQM-MSOLQXFVSA-N	1	0	374.485	1.267	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)CC1	ZINC000170896195	525760881	/nfs/dbraw/zinc/76/08/81/525760881.db2.gz	QKHOLLYLHNPPRS-QGZVFWFLSA-N	1	0	354.372	1.898	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccn1	ZINC000170958533	525786790	/nfs/dbraw/zinc/78/67/90/525786790.db2.gz	RXOUTYVZQWOBOW-UHFFFAOYSA-N	1	0	365.437	1.791	20	30		FDEDRO
Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](O)CS(=O)(=O)c2cccs2)c1	ZINC000130774002	525794211	/nfs/dbraw/zinc/79/42/11/525794211.db2.gz	XXVUDTWNNUKHJJ-CQSZACIVSA-N	1	0	367.496	1.926	20	30		FDEDRO
CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCC(=O)N(C)CCC#N)cc1	ZINC000181050288	525798987	/nfs/dbraw/zinc/79/89/87/525798987.db2.gz	BVMPMKYNMNHDQI-ZDUSSCGKSA-N	1	0	352.460	1.007	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1	ZINC000119633469	525810380	/nfs/dbraw/zinc/81/03/80/525810380.db2.gz	IMHKIBNOUISSHU-KAKFPZCNSA-N	1	0	361.534	1.237	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1	ZINC000181173208	525814755	/nfs/dbraw/zinc/81/47/55/525814755.db2.gz	MMTDSNRHMFAEAQ-MOPGFXCFSA-N	1	0	370.497	1.985	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H]2CC(C)(C)OC2(C)C)CC1	ZINC000119667255	525821632	/nfs/dbraw/zinc/82/16/32/525821632.db2.gz	WHOBCUQESOQNKI-HZPDHXFCSA-N	1	0	350.507	1.614	20	30		FDEDRO
CC[NH+](CC)CCN(C(=O)c1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1	ZINC000131051315	525823807	/nfs/dbraw/zinc/82/38/07/525823807.db2.gz	DFUFGFMKLUHQDU-KRWDZBQOSA-N	1	0	363.483	1.529	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N2CCC([N@H+](C)CCCO)CC2)c1C#N	ZINC000119693628	525830308	/nfs/dbraw/zinc/83/03/08/525830308.db2.gz	SPWXXGYZYGUFEG-UHFFFAOYSA-N	1	0	351.472	1.334	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2ccc(C#N)cn2)c1	ZINC000107473944	525891456	/nfs/dbraw/zinc/89/14/56/525891456.db2.gz	YGTDCAFFEJOINO-UHFFFAOYSA-N	1	0	351.410	1.175	20	30		FDEDRO
N#Cc1cc(C(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c[nH]1	ZINC000181737767	525912517	/nfs/dbraw/zinc/91/25/17/525912517.db2.gz	NFJADYDDNSLQRB-UHFFFAOYSA-N	1	0	365.437	1.642	20	30		FDEDRO
Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](CCC(=O)N(C)CCC#N)C2)nc1	ZINC000131886363	525914115	/nfs/dbraw/zinc/91/41/15/525914115.db2.gz	XPTYEFLVAOPXAM-MRXNPFEDSA-N	1	0	357.458	1.803	20	30		FDEDRO
Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](CCC(=O)N(C)CCC#N)C2)nc1	ZINC000131886596	525915338	/nfs/dbraw/zinc/91/53/38/525915338.db2.gz	XPTYEFLVAOPXAM-INIZCTEOSA-N	1	0	357.458	1.803	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1	ZINC000181772030	525924686	/nfs/dbraw/zinc/92/46/86/525924686.db2.gz	TVTNSBYHDQZXBH-GJZGRUSLSA-N	1	0	356.426	1.613	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1	ZINC000155805494	525978914	/nfs/dbraw/zinc/97/89/14/525978914.db2.gz	CXOFQBNTNHLPIA-MAUKXSAKSA-N	1	0	356.470	1.739	20	30		FDEDRO
N#Cc1ccc(NC(=O)C[NH2+][C@H](CC(N)=O)C2CCOCC2)cc1Cl	ZINC000181947216	525994178	/nfs/dbraw/zinc/99/41/78/525994178.db2.gz	ASTMLLPSJWCACU-OAHLLOKOSA-N	1	0	364.833	1.410	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1	ZINC000155924257	526009648	/nfs/dbraw/zinc/00/96/48/526009648.db2.gz	JKFHPNFQPDWDNY-CRAIPNDOSA-N	1	0	352.438	1.972	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+]CCn3cc([N+](=O)[O-])cn3)CC2)cc1	ZINC000182035908	526029637	/nfs/dbraw/zinc/02/96/37/526029637.db2.gz	UFFNHHKZLWOLHT-UHFFFAOYSA-N	1	0	354.414	1.917	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCCNC(=O)c2cccc(OC)c2)CC1	ZINC000171553426	526031253	/nfs/dbraw/zinc/03/12/53/526031253.db2.gz	IOGVNFZOUHPZEP-UHFFFAOYSA-N	1	0	374.485	1.765	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCCNC(=O)c2ccc(F)cc2)CC1	ZINC000171560403	526036223	/nfs/dbraw/zinc/03/62/23/526036223.db2.gz	VLSJJJWIIOJFQC-UHFFFAOYSA-N	1	0	362.449	1.895	20	30		FDEDRO
C[NH+]=C(NCc1ccc(S(N)(=O)=O)s1)NCc1nc(C)cs1	ZINC000171625799	526055948	/nfs/dbraw/zinc/05/59/48/526055948.db2.gz	KHJVZZJGOIODIC-UHFFFAOYSA-N	1	0	359.502	1.026	20	30		FDEDRO
COC(=O)CCN1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)[C@@H](C)C1	ZINC000182105616	526058413	/nfs/dbraw/zinc/05/84/13/526058413.db2.gz	ZTCJOWNPDCYGLE-HNNXBMFYSA-N	1	0	358.442	1.456	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@@H+]1CCCC[C@H]1CCNS(C)(=O)=O	ZINC000156236002	526088285	/nfs/dbraw/zinc/08/82/85/526088285.db2.gz	BZSOEMBRBZVEFJ-INIZCTEOSA-N	1	0	351.472	1.861	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)CC1	ZINC000171720463	526093989	/nfs/dbraw/zinc/09/39/89/526093989.db2.gz	PVLOVNXNVMJNCS-GOSISDBHSA-N	1	0	355.482	1.844	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000171853756	526151859	/nfs/dbraw/zinc/15/18/59/526151859.db2.gz	SCGKTKLWPXQTFI-KRWDZBQOSA-N	1	0	356.474	1.659	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(CC(=O)Nc2cccc(C#N)c2)CC1	ZINC000109751663	526172392	/nfs/dbraw/zinc/17/23/92/526172392.db2.gz	LDCXHTYUZRVVAM-IBGZPJMESA-N	1	0	355.486	1.599	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(CCC(=O)N(CC)CC)CC1	ZINC000182555075	526206262	/nfs/dbraw/zinc/20/62/62/526206262.db2.gz	UCPGZRDQRRMYGH-OAHLLOKOSA-N	1	0	366.506	1.747	20	30		FDEDRO
CC[C@@H](O)C[NH+]1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000182814069	535867720	/nfs/dbraw/zinc/86/77/20/535867720.db2.gz	VZZNRGAIWFFQOL-MOPGFXCFSA-N	1	0	356.470	1.442	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1	ZINC000182891052	535882269	/nfs/dbraw/zinc/88/22/69/535882269.db2.gz	AJGSTNWDRHRHNU-OALUTQOASA-N	1	0	350.551	1.901	20	30		FDEDRO
COCCC[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000183167410	535932343	/nfs/dbraw/zinc/93/23/43/535932343.db2.gz	ARGNVPZFEMRUNK-GOSISDBHSA-N	1	0	362.449	1.503	20	30		FDEDRO
C[C@H](O)[C@H]1CC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000183176379	535935420	/nfs/dbraw/zinc/93/54/20/535935420.db2.gz	NOHMCQKXKROEJU-ZFWWWQNUSA-N	1	0	354.372	1.876	20	30		FDEDRO
C[C@@H](O)CC[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000183181884	535937491	/nfs/dbraw/zinc/93/74/91/535937491.db2.gz	OAYABDALDWLKSK-QAPCUYQASA-N	1	0	362.449	1.237	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(c3cc(OC)ncn3)CC2)CC1	ZINC000183590863	536009981	/nfs/dbraw/zinc/00/99/81/536009981.db2.gz	MTXFBYYWYDISSZ-UHFFFAOYSA-N	1	0	374.489	1.357	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000184633679	536170985	/nfs/dbraw/zinc/17/09/85/536170985.db2.gz	JPPVZFOKUCELJS-UHFFFAOYSA-N	1	0	357.418	1.229	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)NC(C)(C)CCN1CC[NH+](C)CC1	ZINC000185437835	536208574	/nfs/dbraw/zinc/20/85/74/536208574.db2.gz	QDRYBJHYUJQRFZ-UHFFFAOYSA-N	1	0	364.515	1.561	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1c(C)nn(CC(F)(F)F)c1C	ZINC000185644563	536214227	/nfs/dbraw/zinc/21/42/27/536214227.db2.gz	IRPNFZKXISHEGW-VIFPVBQESA-N	1	0	361.368	1.725	20	30		FDEDRO
N#C[C@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000185828003	536218745	/nfs/dbraw/zinc/21/87/45/536218745.db2.gz	HGDHOYWFSBYNJG-QWHCGFSZSA-N	1	0	352.416	1.545	20	30		FDEDRO
C=CC[C@@H](CO)NC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000185905083	536221078	/nfs/dbraw/zinc/22/10/78/536221078.db2.gz	ZKCWMBWRWORJPU-ZBFHGGJFSA-N	1	0	364.465	1.875	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](C)c2ccc(OCC(=O)OC)cc2)CC1	ZINC000186009128	536223452	/nfs/dbraw/zinc/22/34/52/536223452.db2.gz	JAWPRDGPSZNWKX-OAHLLOKOSA-N	1	0	358.438	1.761	20	30		FDEDRO
C[C@@H](CNC(=O)Nc1ncccc1OCCCC#N)C[NH+]1CCN(C)CC1	ZINC000186444536	536234700	/nfs/dbraw/zinc/23/47/00/536234700.db2.gz	BFYPYZCTSWVGNN-INIZCTEOSA-N	1	0	374.489	1.769	20	30		FDEDRO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@@H](O)C[C@H]3CO)sc2C1	ZINC000186523965	536236399	/nfs/dbraw/zinc/23/63/99/536236399.db2.gz	VADLEBYJDTWVTF-AGIUHOORSA-N	1	0	363.483	1.501	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1	ZINC000187221042	536258175	/nfs/dbraw/zinc/25/81/75/536258175.db2.gz	FGSGNSHGWZZLKN-IAGOWNOFSA-N	1	0	369.465	1.970	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(-n3cccn3)ccc2C)CC1	ZINC000187829240	536275823	/nfs/dbraw/zinc/27/58/23/536275823.db2.gz	NHCUGVSZFMCZNT-UHFFFAOYSA-N	1	0	367.453	1.886	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1	ZINC000266914220	536941756	/nfs/dbraw/zinc/94/17/56/536941756.db2.gz	CPZCZAILPHUWMZ-UHFFFAOYSA-N	1	0	358.442	1.884	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1	ZINC000268140515	537011318	/nfs/dbraw/zinc/01/13/18/537011318.db2.gz	KJIJACWKZMFVCZ-NSISKUIASA-N	1	0	367.497	1.889	20	30		FDEDRO
C[C@@H](CN1CCN(c2ccccn2)CC1)Nc1nccc(C#N)c1[N+](=O)[O-]	ZINC000268486167	537013900	/nfs/dbraw/zinc/01/39/00/537013900.db2.gz	MLGOGVRBUBEWEO-AWEZNQCLSA-N	1	0	367.413	1.879	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCc2nc(C)c(C)s2)CC1	ZINC000268624461	537016041	/nfs/dbraw/zinc/01/60/41/537016041.db2.gz	VYSFLDAXXNEZBC-UHFFFAOYSA-N	1	0	353.492	1.828	20	30		FDEDRO
CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1	ZINC000189272501	537020057	/nfs/dbraw/zinc/02/00/57/537020057.db2.gz	PWVIXLWUYBWUJJ-UHFFFAOYSA-N	1	0	374.489	1.781	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCc2ccc(C#N)cc2F)CC1=O	ZINC000247066106	537077227	/nfs/dbraw/zinc/07/72/27/537077227.db2.gz	GGKOVEIGTNEHQG-IRXDYDNUSA-N	1	0	372.444	1.646	20	30		FDEDRO
CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000247394803	537115591	/nfs/dbraw/zinc/11/55/91/537115591.db2.gz	QPZMENGBHQTMIJ-CXAGYDPISA-N	1	0	352.442	1.785	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(-c2ncco2)cc1	ZINC000189998356	537125449	/nfs/dbraw/zinc/12/54/49/537125449.db2.gz	RHYIASLSNGIUPC-UHFFFAOYSA-N	1	0	369.425	1.974	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)[N@H+](C)C1CC1	ZINC000247498803	537126326	/nfs/dbraw/zinc/12/63/26/537126326.db2.gz	XKLMCIPQWYALAL-UONOGXRCSA-N	1	0	357.462	1.051	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1	ZINC000247520409	537129278	/nfs/dbraw/zinc/12/92/78/537129278.db2.gz	WJPZYEXZZXOIJT-RHSMWYFYSA-N	1	0	365.499	1.563	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2C[NH+](C)C)c1	ZINC000263903137	537130064	/nfs/dbraw/zinc/13/00/64/537130064.db2.gz	FHQHWUSLGCGIDX-OAHLLOKOSA-N	1	0	351.472	1.317	20	30		FDEDRO
CC(C)CNC(=[NH2+])NCc1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000264160465	537138511	/nfs/dbraw/zinc/13/85/11/537138511.db2.gz	BGDMCCDCWXMULS-UHFFFAOYSA-N	1	0	352.504	1.922	20	30		FDEDRO
CC[C@H]1CN(CC(=O)N(C)C2(C#N)CCCCC2)CC[N@@H+]1C[C@H](C)O	ZINC000247596977	537140252	/nfs/dbraw/zinc/14/02/52/537140252.db2.gz	KJNKORQKACAMBF-IRXDYDNUSA-N	1	0	350.507	1.448	20	30		FDEDRO
C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)N3CCO[C@H](C#N)C3)cc2)C1	ZINC000264393855	537143418	/nfs/dbraw/zinc/14/34/18/537143418.db2.gz	CPTXHORTMACGHC-MAUKXSAKSA-N	1	0	370.453	1.608	20	30		FDEDRO
CN(CC[N@H+](C)C1CC1)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000190243442	537157174	/nfs/dbraw/zinc/15/71/74/537157174.db2.gz	SFOFOFKTOAIDMH-SFHVURJKSA-N	1	0	369.469	1.395	20	30		FDEDRO
C[NH+](C)[C@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000190269343	537159910	/nfs/dbraw/zinc/15/99/10/537159910.db2.gz	YHVVWTKWUJEREL-DLBZAZTESA-N	1	0	355.442	1.005	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1	ZINC000265632966	537163034	/nfs/dbraw/zinc/16/30/34/537163034.db2.gz	SIPUXDYZDADEAP-QGZVFWFLSA-N	1	0	372.469	1.832	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H]1CO	ZINC000190405346	537171646	/nfs/dbraw/zinc/17/16/46/537171646.db2.gz	AEJSLGJUVVZHDZ-XJKSGUPXSA-N	1	0	354.372	1.876	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCSC[C@@H](C)C3)CC2)o1	ZINC000190407513	537171856	/nfs/dbraw/zinc/17/18/56/537171856.db2.gz	PRFMNJMUVPPJJI-ZDUSSCGKSA-N	1	0	363.487	1.188	20	30		FDEDRO
CCCNC(=[NH2+])NCCCNC(=O)c1cc(OC)ccc1Br	ZINC000191159976	537198901	/nfs/dbraw/zinc/19/89/01/537198901.db2.gz	GDIIBKZVHWGFGJ-UHFFFAOYSA-N	1	0	371.279	1.892	20	30		FDEDRO
C=CCn1c(=O)c2ccc(C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)cc2[n-]c1=S	ZINC000248639267	537199745	/nfs/dbraw/zinc/19/97/45/537199745.db2.gz	QZLHBLDTLUZCSY-QEJZJMRPSA-N	1	0	370.478	1.681	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccccc1C(N)=O	ZINC000191373334	537204221	/nfs/dbraw/zinc/20/42/21/537204221.db2.gz	NWHVZUHYOMJJMH-UHFFFAOYSA-N	1	0	364.449	1.790	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)[C@@H](C)C1	ZINC000248734120	537209726	/nfs/dbraw/zinc/20/97/26/537209726.db2.gz	GPYRCHQXPMVPCF-HOTGVXAUSA-N	1	0	372.469	1.581	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1	ZINC000192009928	537218338	/nfs/dbraw/zinc/21/83/38/537218338.db2.gz	OCIYWLLWKMVWLO-YEHARPAWSA-N	1	0	352.460	1.421	20	30		FDEDRO
O=C1NC(=O)[C@]2(CCC[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)N1	ZINC000192672802	537230025	/nfs/dbraw/zinc/23/00/25/537230025.db2.gz	SNOJINFZZVIZHX-MRXNPFEDSA-N	1	0	351.328	1.731	20	30		FDEDRO
C[NH+]=C(NCc1ccc(-n2nc(C)cc2C)nc1)N1CCO[C@@H](COC)C1	ZINC000261991398	537253499	/nfs/dbraw/zinc/25/34/99/537253499.db2.gz	SLLRVRVGROXENZ-QGZVFWFLSA-N	1	0	372.473	1.307	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(N(C)C)nc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261987737	537253678	/nfs/dbraw/zinc/25/36/78/537253678.db2.gz	QMKVMTCZHKTXTC-UHFFFAOYSA-N	1	0	367.519	1.122	20	30		FDEDRO
CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccnc(C#N)c1	ZINC000194045948	537258389	/nfs/dbraw/zinc/25/83/89/537258389.db2.gz	AOHPMOOBKJDTFG-FQEVSTJZSA-N	1	0	350.422	1.662	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000282229190	537273956	/nfs/dbraw/zinc/27/39/56/537273956.db2.gz	BVQHFHOISWRLHX-INMHGKMJSA-N	1	0	350.488	1.575	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCC2(C)CC[NH+](C)CC2)c1	ZINC000272557359	537299714	/nfs/dbraw/zinc/29/97/14/537299714.db2.gz	NAVFMICHAKRPBE-UHFFFAOYSA-N	1	0	365.499	1.613	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000333058438	537346206	/nfs/dbraw/zinc/34/62/06/537346206.db2.gz	CWCHTRSWWXIHFW-TVFCKZIOSA-N	1	0	351.491	1.787	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)C#Cc1ccc2c(c1)OCO2	ZINC000363875373	537349345	/nfs/dbraw/zinc/34/93/45/537349345.db2.gz	ZBVRIYNJSHLYBL-KBAYOESNSA-N	1	0	370.449	1.772	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@H]([C@H](C)O)C1)C(C)C	ZINC000283072027	537350046	/nfs/dbraw/zinc/35/00/46/537350046.db2.gz	FOSOWVNOTZUNIW-GVDBMIGSSA-N	1	0	351.491	1.031	20	30		FDEDRO
CC(=O)N[C@H]1CCCN(C(=O)CN(Cc2ccc(C#N)cc2)C2CC2)C1	ZINC000194958781	537355387	/nfs/dbraw/zinc/35/53/87/537355387.db2.gz	AAAAUHOTTSQVCR-SFHVURJKSA-N	1	0	354.454	1.650	20	30		FDEDRO
CN(CCS(=O)(=O)c1ccc(C#N)cn1)C[C@H](O)Cc1ccccc1	ZINC000293151800	537368946	/nfs/dbraw/zinc/36/89/46/537368946.db2.gz	BSOBGBRCCHVQQX-QGZVFWFLSA-N	1	0	359.451	1.262	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(-c2nccs2)c1	ZINC000293195418	537383933	/nfs/dbraw/zinc/38/39/33/537383933.db2.gz	AALGEGGIKUAYIH-UHFFFAOYSA-N	1	0	356.451	1.820	20	30		FDEDRO
C=C(C)[C@H]1OCCC[C@H]1C(=O)NCc1cccnc1N1CC[NH+](C)CC1	ZINC000364810742	537399813	/nfs/dbraw/zinc/39/98/13/537399813.db2.gz	LXHVGCGZFQRVIV-QZTJIDSGSA-N	1	0	358.486	1.821	20	30		FDEDRO
CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000293335387	537418736	/nfs/dbraw/zinc/41/87/36/537418736.db2.gz	INJDPZFQTYPNOW-UHFFFAOYSA-N	1	0	353.220	1.327	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1	ZINC000273372449	537439042	/nfs/dbraw/zinc/43/90/42/537439042.db2.gz	CFQZDQAFFONXMC-LJQANCHMSA-N	1	0	373.497	1.953	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000287362867	537442187	/nfs/dbraw/zinc/44/21/87/537442187.db2.gz	QLPLGNLKJMFKTF-ZFWWWQNUSA-N	1	0	362.455	1.684	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2ccc(OC)c(F)c2)CC1	ZINC000287869048	537446407	/nfs/dbraw/zinc/44/64/07/537446407.db2.gz	SXXARDHNDXDLIB-UHFFFAOYSA-N	1	0	363.433	1.260	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000288208776	537465573	/nfs/dbraw/zinc/46/55/73/537465573.db2.gz	SXUYILFMRJUKBT-XYPWUTKMSA-N	1	0	373.428	1.860	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)C[NH+]1CCCC1	ZINC000271620649	537466873	/nfs/dbraw/zinc/46/68/73/537466873.db2.gz	PDQAQPIPRMYPJI-CYBMUJFWSA-N	1	0	360.462	1.296	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)C[NH+]1CCCC1	ZINC000271620650	537467122	/nfs/dbraw/zinc/46/71/22/537467122.db2.gz	PDQAQPIPRMYPJI-ZDUSSCGKSA-N	1	0	360.462	1.296	20	30		FDEDRO
COC1CC[NH+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1	ZINC000271914679	537505887	/nfs/dbraw/zinc/50/58/87/537505887.db2.gz	JISOKINCAJSGGF-LJQANCHMSA-N	1	0	374.460	1.645	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N(CCC)CCC[NH+](C)C)c1	ZINC000276437200	537509456	/nfs/dbraw/zinc/50/94/56/537509456.db2.gz	UZWLXEWUTDURSB-UHFFFAOYSA-N	1	0	365.499	1.402	20	30		FDEDRO
Cc1cnc(Cl)c(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1	ZINC000276447749	537515716	/nfs/dbraw/zinc/51/57/16/537515716.db2.gz	VZLHYLDMGHICQC-UHFFFAOYSA-N	1	0	351.838	1.676	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@H](C)C[N@H+](C)C(C)C)CC2)c1C#N	ZINC000291264701	537553660	/nfs/dbraw/zinc/55/36/60/537553660.db2.gz	RCFCBNGTFLXBQT-CYBMUJFWSA-N	1	0	364.519	1.884	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@]2(F)CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000365823342	537591205	/nfs/dbraw/zinc/59/12/05/537591205.db2.gz	GSJPWICZWRDOBY-IBGZPJMESA-N	1	0	367.465	1.939	20	30		FDEDRO
CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000277915070	537623716	/nfs/dbraw/zinc/62/37/16/537623716.db2.gz	QZDYJQOONZOYRN-WMLDXEAASA-N	1	0	356.470	1.942	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c1	ZINC000237401978	537626552	/nfs/dbraw/zinc/62/65/52/537626552.db2.gz	SAVLKRJJEVUPHY-CJNGLKHVSA-N	1	0	351.472	1.493	20	30		FDEDRO
CC[C@H](C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1)N1CCCC1=O	ZINC000329167887	537634595	/nfs/dbraw/zinc/63/45/95/537634595.db2.gz	IWOKEQBTHPMNQC-CABCVRRESA-N	1	0	350.463	1.039	20	30		FDEDRO
CC(C)[NH+]1CCN(c2cccc(NC(=O)CN3C(=O)CN(C)C3=O)c2)CC1	ZINC000329163085	537634671	/nfs/dbraw/zinc/63/46/71/537634671.db2.gz	GCXXUZVZAZRFMR-UHFFFAOYSA-N	1	0	373.457	1.699	20	30		FDEDRO
CCNC(=O)N1CC[C@H](NC(=O)N2C[C@@H](OC)C[C@H]2C[NH+]2CCCC2)C1	ZINC000329164450	537634762	/nfs/dbraw/zinc/63/47/62/537634762.db2.gz	GWIVOJUZHKBCFF-JYJNAYRXSA-N	1	0	367.494	1.094	20	30		FDEDRO
CCc1nc(CC(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)cs1	ZINC000329174887	537635782	/nfs/dbraw/zinc/63/57/82/537635782.db2.gz	LXEXNGCBVCCSLH-CQSZACIVSA-N	1	0	350.488	1.900	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cc1	ZINC000237716006	537638263	/nfs/dbraw/zinc/63/82/63/537638263.db2.gz	ZIBLFTULYNGSLZ-XJKSGUPXSA-N	1	0	351.472	1.350	20	30		FDEDRO
Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)N[C@H](C)C1=CC[N@H+](C)CC1	ZINC000329711804	537642432	/nfs/dbraw/zinc/64/24/32/537642432.db2.gz	PBOROYIUQOERSM-DYVFJYSZSA-N	1	0	361.490	1.975	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2nnc(C(C)(C)C)s2)C[C@H]1C	ZINC000329864725	537644013	/nfs/dbraw/zinc/64/40/13/537644013.db2.gz	ZXDPPGUMWILBMR-NEPJUHHUSA-N	1	0	355.508	1.637	20	30		FDEDRO
CO[C@@H]1CC[C@H](NC(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)C1	ZINC000329923362	537646741	/nfs/dbraw/zinc/64/67/41/537646741.db2.gz	GYCMVXBZCUGJGR-LUKYLMHMSA-N	1	0	367.469	1.746	20	30		FDEDRO
CC(=O)N1CCC[C@@H](CNC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C1	ZINC000330004848	537649368	/nfs/dbraw/zinc/64/93/68/537649368.db2.gz	BLMKFABJZNRHBM-RDJZCZTQSA-N	1	0	366.506	1.344	20	30		FDEDRO
CCn1ncnc1CNC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1	ZINC000330006382	537649770	/nfs/dbraw/zinc/64/97/70/537649770.db2.gz	CTLMNXZYQVDSNQ-UHFFFAOYSA-N	1	0	363.510	1.062	20	30		FDEDRO
C[NH+](C)[C@@]1(CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCSC1	ZINC000330230229	537653162	/nfs/dbraw/zinc/65/31/62/537653162.db2.gz	WKKHSTPAJLRGHD-QGZVFWFLSA-N	1	0	366.535	1.913	20	30		FDEDRO
CC(C)NC(=O)NC1(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)CCCCC1	ZINC000331020039	537664385	/nfs/dbraw/zinc/66/43/85/537664385.db2.gz	XEAQNHKTNFIMIB-MRXNPFEDSA-N	1	0	367.538	1.353	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000285341936	537689176	/nfs/dbraw/zinc/68/91/76/537689176.db2.gz	UUTFWALLRKOEFA-SFHVURJKSA-N	1	0	355.482	1.844	20	30		FDEDRO
CCC[C@@H](C)C(=O)NCCNC(=[NH2+])NCCc1ccc(OC)c(OC)c1	ZINC000292222991	537718721	/nfs/dbraw/zinc/71/87/21/537718721.db2.gz	AEXFGLSLORIXGM-CQSZACIVSA-N	1	0	364.490	1.703	20	30		FDEDRO
C[N@@H+]1CC[C@H]2OCCN(CCC(=O)Nc3ccc(C#N)c(Cl)c3)[C@H]2C1	ZINC000298562530	537724283	/nfs/dbraw/zinc/72/42/83/537724283.db2.gz	PPGWIGOCWUPHLC-DLBZAZTESA-N	1	0	362.861	1.945	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)N1CCC([NH+](CCOC)CCOC)CC1	ZINC000285526683	537726738	/nfs/dbraw/zinc/72/67/38/537726738.db2.gz	PLTQKJGPWNMRCS-SFHVURJKSA-N	1	0	367.534	1.635	20	30		FDEDRO
CN(C)S(=O)(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C#N)C1	ZINC000285735886	537752816	/nfs/dbraw/zinc/75/28/16/537752816.db2.gz	VPOCOAZQRBSZKS-HNNXBMFYSA-N	1	0	364.471	1.243	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)COc2ccc(C#N)c(Br)c2)CC1	ZINC000416306393	537796392	/nfs/dbraw/zinc/79/63/92/537796392.db2.gz	FSNXIKDQKZTFRQ-UHFFFAOYSA-N	1	0	352.232	1.910	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1	ZINC000366677204	537819022	/nfs/dbraw/zinc/81/90/22/537819022.db2.gz	HVVBVEHKEKNABA-FHWLQOOXSA-N	1	0	364.534	1.779	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000366680201	537821505	/nfs/dbraw/zinc/82/15/05/537821505.db2.gz	QJIYTFWTUPBYPA-QRQLOZEOSA-N	1	0	364.534	1.778	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21	ZINC000371752071	537830095	/nfs/dbraw/zinc/83/00/95/537830095.db2.gz	DSZBDYLEJWWYBR-IPMKNSEASA-N	1	0	370.497	1.889	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCSCc1ccccc1C#N	ZINC000418917811	537846876	/nfs/dbraw/zinc/84/68/76/537846876.db2.gz	IHRDUMDNGHAXSW-PBHICJAKSA-N	1	0	374.510	1.636	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1	ZINC000366796063	537862169	/nfs/dbraw/zinc/86/21/69/537862169.db2.gz	BVMDHEOIZPKILX-IAGOWNOFSA-N	1	0	356.470	1.979	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NCc1ccccc1OCC[NH+](C)C	ZINC000409579491	537864609	/nfs/dbraw/zinc/86/46/09/537864609.db2.gz	GGNGRTZEIPPVHK-UHFFFAOYSA-N	1	0	354.476	1.197	20	30		FDEDRO
CN1CC[NH+](C[C@H]2CCCN(C(=O)NCC3CCC(C#N)CC3)C2)CC1	ZINC000367016333	537915979	/nfs/dbraw/zinc/91/59/79/537915979.db2.gz	JHDSTZMTKULIRJ-CTWPCTMYSA-N	1	0	361.534	1.985	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CCc1nc(-c2cccnc2)no1	ZINC000377489743	537967608	/nfs/dbraw/zinc/96/76/08/537967608.db2.gz	VHYHBYBLGWGTSQ-UHFFFAOYSA-N	1	0	356.430	1.758	20	30		FDEDRO
C=CCN(C(=O)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1)C1CC1	ZINC000415177855	537971590	/nfs/dbraw/zinc/97/15/90/537971590.db2.gz	HTHJMZWDOIRZJY-UHFFFAOYSA-N	1	0	372.469	1.086	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])C1)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000419206442	537992572	/nfs/dbraw/zinc/99/25/72/537992572.db2.gz	KYHQJXCWVPZARV-AUUYWEPGSA-N	1	0	362.433	1.962	20	30		FDEDRO
C[C@H](NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccc(C#N)cc1	ZINC000417107562	538003320	/nfs/dbraw/zinc/00/33/20/538003320.db2.gz	HKUCLQIHVQTDTC-WMLDXEAASA-N	1	0	357.458	1.648	20	30		FDEDRO
Cc1oc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)c(C#N)c1C	ZINC000372693275	538003719	/nfs/dbraw/zinc/00/37/19/538003719.db2.gz	IZCDYKWQRIIZTR-IAGOWNOFSA-N	1	0	360.458	1.940	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000369216751	538003952	/nfs/dbraw/zinc/00/39/52/538003952.db2.gz	XFYJVKNXVHFGDL-ARFHVFGLSA-N	1	0	372.535	1.286	20	30		FDEDRO
CCc1nc(CN2CCC[C@@H]([N@H+](C)[C@@H](C)C(=O)N(C)CCC#N)C2)no1	ZINC000369246868	538007196	/nfs/dbraw/zinc/00/71/96/538007196.db2.gz	ZSAFHCJCKDSDLF-LSDHHAIUSA-N	1	0	362.478	1.289	20	30		FDEDRO
CCc1nc(CN2CCC[C@@H]([N@H+](C)CC(=O)N[C@](C)(C#N)C3CC3)C2)no1	ZINC000369234990	538007437	/nfs/dbraw/zinc/00/74/37/538007437.db2.gz	GPARRMLWNIESAR-DNVCBOLYSA-N	1	0	374.489	1.337	20	30		FDEDRO
CCc1nc(CN2CCC[C@H]([N@H+](C)[C@@H](C)C(=O)N(C)CCC#N)C2)no1	ZINC000369246866	538007659	/nfs/dbraw/zinc/00/76/59/538007659.db2.gz	ZSAFHCJCKDSDLF-GJZGRUSLSA-N	1	0	362.478	1.289	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)ccc1OC(F)(F)F	ZINC000415340248	538012973	/nfs/dbraw/zinc/01/29/73/538012973.db2.gz	ZULVRZBZNMYPGZ-JTQLQIEISA-N	1	0	370.331	1.511	20	30		FDEDRO
C[C@@H](CO)[N@@H+]1CCCN(C(=O)Nc2ncccc2OCCCC#N)CC1	ZINC000372729774	538014666	/nfs/dbraw/zinc/01/46/66/538014666.db2.gz	VFIPJYNSTJTTKP-HNNXBMFYSA-N	1	0	361.446	1.685	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1	ZINC000415347803	538018021	/nfs/dbraw/zinc/01/80/21/538018021.db2.gz	DOZBEPVGVXROSR-ZFWWWQNUSA-N	1	0	358.442	1.788	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1C#N	ZINC000415872557	538089995	/nfs/dbraw/zinc/08/99/95/538089995.db2.gz	RSVNPWKDTPZGFO-FVQBIDKESA-N	1	0	370.453	1.788	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000419864184	538121032	/nfs/dbraw/zinc/12/10/32/538121032.db2.gz	SJVMBXSGTPZJSW-XYPWUTKMSA-N	1	0	372.425	1.509	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)[C@H](C)C[NH2+]1	ZINC000423633673	538126161	/nfs/dbraw/zinc/12/61/61/538126161.db2.gz	PMDNUYSBUHCVKI-HUUCEWRRSA-N	1	0	370.453	1.137	20	30		FDEDRO
C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(c2cccc(Cl)c2C#N)C1	ZINC000450468886	538130355	/nfs/dbraw/zinc/13/03/55/538130355.db2.gz	PKZNKEWXOGTWOO-LBPRGKRZSA-N	1	0	358.833	2.000	20	30		FDEDRO
N#CC1(F)CCN(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1	ZINC000432438914	538148618	/nfs/dbraw/zinc/14/86/18/538148618.db2.gz	DODZUGCBABCUJA-UHFFFAOYSA-N	1	0	353.442	1.016	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C	ZINC000439348224	538172193	/nfs/dbraw/zinc/17/21/93/538172193.db2.gz	RIVQENGEWUIIBM-CQSZACIVSA-N	1	0	374.441	1.075	20	30		FDEDRO
C=C(C)COCCNC(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1	ZINC000422188966	538182320	/nfs/dbraw/zinc/18/23/20/538182320.db2.gz	MMMLRUNTDGHXBX-UHFFFAOYSA-N	1	0	352.523	1.781	20	30		FDEDRO
CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000419998294	538182600	/nfs/dbraw/zinc/18/26/00/538182600.db2.gz	MRZDCISZLFPMCO-KRWDZBQOSA-N	1	0	358.442	1.028	20	30		FDEDRO
CCC([NH3+])(CC)CNC(=O)C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1	ZINC000420082038	538209601	/nfs/dbraw/zinc/20/96/01/538209601.db2.gz	PNJBRFXMHFSMDC-MRXNPFEDSA-N	1	0	358.442	1.092	20	30		FDEDRO
CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCCN(c2ccccc2C#N)CC1	ZINC000420115400	538228848	/nfs/dbraw/zinc/22/88/48/538228848.db2.gz	FJJZICXAQMJDBB-KRWDZBQOSA-N	1	0	371.485	1.231	20	30		FDEDRO
COc1ccc(OC)c(CN2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)c1	ZINC000424133198	538244293	/nfs/dbraw/zinc/24/42/93/538244293.db2.gz	JFQRMUMUYKEFKG-QGZVFWFLSA-N	1	0	360.458	1.369	20	30		FDEDRO
CC(=O)N1CCN(Cc2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc2)CC1	ZINC000424177496	538249477	/nfs/dbraw/zinc/24/94/77/538249477.db2.gz	UTEBMBCPMATILU-SFHVURJKSA-N	1	0	357.458	1.310	20	30		FDEDRO
CO[C@@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1(C)C	ZINC000451573645	538280101	/nfs/dbraw/zinc/28/01/01/538280101.db2.gz	YWTBSANAMHAPBO-IAGOWNOFSA-N	1	0	350.507	1.426	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)C(=O)N(C)CC(=O)Nc1ccccc1CC	ZINC000451595312	538284376	/nfs/dbraw/zinc/28/43/76/538284376.db2.gz	CZYPXSPGRONBJW-OLMNPRSZSA-N	1	0	359.470	1.968	20	30		FDEDRO
C=CCn1cc(CNC(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)nn1	ZINC000424483690	538311722	/nfs/dbraw/zinc/31/17/22/538311722.db2.gz	YQUIQHYOADTNSB-ROUUACIJSA-N	1	0	370.457	1.418	20	30		FDEDRO
CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N=c1ccn(CCC#N)[nH]1	ZINC000441422580	538325983	/nfs/dbraw/zinc/32/59/83/538325983.db2.gz	QAOWDFBBBUTZLS-HOTGVXAUSA-N	1	0	374.489	1.752	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1	ZINC000425212315	538388916	/nfs/dbraw/zinc/38/89/16/538388916.db2.gz	ZSWYJTOVOTZHHA-ZWKOTPCHSA-N	1	0	362.499	1.673	20	30		FDEDRO
CC1(C#N)CCC([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000449138022	538420056	/nfs/dbraw/zinc/42/00/56/538420056.db2.gz	ARSAGPMFCDCJIU-UHFFFAOYSA-N	1	0	366.443	1.935	20	30		FDEDRO
Cc1cc(C(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)ncc1C#N	ZINC000457638485	538503285	/nfs/dbraw/zinc/50/32/85/538503285.db2.gz	WLSXNDKEKWSVQY-INIZCTEOSA-N	1	0	354.410	1.815	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000454297927	538531487	/nfs/dbraw/zinc/53/14/87/538531487.db2.gz	FFOSEWCVNDYRFZ-UXHICEINSA-N	1	0	372.513	1.837	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCC(C)(C)CC#N)c1	ZINC000458237434	538582415	/nfs/dbraw/zinc/58/24/15/538582415.db2.gz	FKZYVSUMFLQRDQ-UHFFFAOYSA-N	1	0	359.474	1.717	20	30		FDEDRO
COCCOC[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1	ZINC000462285024	538612817	/nfs/dbraw/zinc/61/28/17/538612817.db2.gz	FKPXPYNFLBQVIM-WBVHZDCISA-N	1	0	357.410	1.175	20	30		FDEDRO
CNC(=O)CCOC1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1	ZINC000494952776	538613131	/nfs/dbraw/zinc/61/31/31/538613131.db2.gz	DEHGNOSYTCRQFK-UHFFFAOYSA-N	1	0	358.442	1.504	20	30		FDEDRO
C[NH+](C)CCOC1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1	ZINC000467138509	538616346	/nfs/dbraw/zinc/61/63/46/538616346.db2.gz	JZSOEMFQFRLPTA-UHFFFAOYSA-N	1	0	373.425	1.568	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000487781135	538680271	/nfs/dbraw/zinc/68/02/71/538680271.db2.gz	JGUKUDSASOUXFZ-HOTGVXAUSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1	ZINC000488179955	538721074	/nfs/dbraw/zinc/72/10/74/538721074.db2.gz	QKFFOBYKRUSBKU-SJORKVTESA-N	1	0	350.507	1.086	20	30		FDEDRO
Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)c2cnc(C)c(C#N)c2)o1	ZINC000489111776	538789827	/nfs/dbraw/zinc/78/98/27/538789827.db2.gz	APKKGKDYSONZCT-UHFFFAOYSA-N	1	0	362.455	1.916	20	30		FDEDRO
CC[N@H+](CCNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1)C(C)C	ZINC000473695194	538792064	/nfs/dbraw/zinc/79/20/64/538792064.db2.gz	MFOQZWFQVILTOU-SFHVURJKSA-N	1	0	356.470	1.896	20	30		FDEDRO
C[C@@H](CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C[NH+](C)C	ZINC000561094510	545682110	/nfs/dbraw/zinc/68/21/10/545682110.db2.gz	HAVNUGGDLBLRQZ-AWEZNQCLSA-N	1	0	351.472	1.692	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccnc(SCC)c2)CC1	ZINC000561414430	545837961	/nfs/dbraw/zinc/83/79/61/545837961.db2.gz	ASICIWPWPSTYBE-UHFFFAOYSA-N	1	0	362.499	1.576	20	30		FDEDRO
Cc1ccccc1[C@@H]([C@H](C)Nc1c(C#N)c(=O)n(C)c(=O)n1C)[NH+](C)C	ZINC000561436079	545851983	/nfs/dbraw/zinc/85/19/83/545851983.db2.gz	KQZYQTHPJGQUHI-XJKSGUPXSA-N	1	0	355.442	1.367	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)CC1	ZINC000562869426	546301665	/nfs/dbraw/zinc/30/16/65/546301665.db2.gz	NBNILXXSKCDKKM-IEBWSBKVSA-N	1	0	371.481	1.647	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000563248800	546464853	/nfs/dbraw/zinc/46/48/53/546464853.db2.gz	LPFCGNHGXJHKHP-KRWDZBQOSA-N	1	0	356.474	1.659	20	30		FDEDRO
CN(C)[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C1CCCCC1	ZINC000564562635	546953859	/nfs/dbraw/zinc/95/38/59/546953859.db2.gz	BQDJYEUFWMAAHC-KRWDZBQOSA-N	1	0	364.515	1.827	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@H]3CC[N@H+](C)[C@H](C)C3)CC2)c1C#N	ZINC000564575620	546960333	/nfs/dbraw/zinc/96/03/33/546960333.db2.gz	RJQOBIRGXIQBAT-OCCSQVGLSA-N	1	0	362.503	1.638	20	30		FDEDRO
CCO[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1n1cccn1	ZINC000564723713	547015768	/nfs/dbraw/zinc/01/57/68/547015768.db2.gz	PWLVIFRURDQJDK-KURKYZTESA-N	1	0	374.466	1.537	20	30		FDEDRO
Cc1ccc(C(=O)NCC[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)cc1	ZINC000564854850	547069130	/nfs/dbraw/zinc/06/91/30/547069130.db2.gz	BVPIFCOWCKZNAI-IBGZPJMESA-N	1	0	367.449	1.820	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]CCN1CCc2c(Cl)cccc2C1	ZINC000564871456	547076716	/nfs/dbraw/zinc/07/67/16/547076716.db2.gz	DBRQHYYJQSAGKE-MRXNPFEDSA-N	1	0	350.894	1.494	20	30		FDEDRO
C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N	ZINC000565422610	547344282	/nfs/dbraw/zinc/34/42/82/547344282.db2.gz	QPGYSKSCMJFLNO-CHWSQXEVSA-N	1	0	367.409	1.926	20	30		FDEDRO
C[C@@H]1CC(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C[C@@H](C)O1	ZINC000565478853	547366574	/nfs/dbraw/zinc/36/65/74/547366574.db2.gz	RFAAKWCMZJWMMU-ZIAGYGMSSA-N	1	0	351.472	1.910	20	30		FDEDRO
N#Cc1ccc(OCC(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1	ZINC000566408207	547743976	/nfs/dbraw/zinc/74/39/76/547743976.db2.gz	UPCKVKLFRIBVOR-SJLPKXTDSA-N	1	0	370.453	1.044	20	30		FDEDRO
CC1=CC[N@H+](CCNC(=O)N2CCN(c3cnccc3C#N)CC2)CC1	ZINC000566654875	547840959	/nfs/dbraw/zinc/84/09/59/547840959.db2.gz	HFFJRDIXQCLHSG-UHFFFAOYSA-N	1	0	354.458	1.437	20	30		FDEDRO
N#Cc1cc2c(n(CC(=O)N3CCC3)c1=O)CC[N@H+](Cc1ccccc1)C2	ZINC000566808536	547892457	/nfs/dbraw/zinc/89/24/57/547892457.db2.gz	SRJRUQZIYIIRCD-UHFFFAOYSA-N	1	0	362.433	1.511	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)Cc2ccc(CC#N)cc2)CC1	ZINC000566852922	547907432	/nfs/dbraw/zinc/90/74/32/547907432.db2.gz	SIXILANVQADDSK-INIZCTEOSA-N	1	0	364.515	1.198	20	30		FDEDRO
N#CC1(CCC[N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)CCOCC1	ZINC000567021029	547966402	/nfs/dbraw/zinc/96/64/02/547966402.db2.gz	LQYNMUCTYZZMJJ-INIZCTEOSA-N	1	0	369.531	1.881	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1=O	ZINC000567345670	548085734	/nfs/dbraw/zinc/08/57/34/548085734.db2.gz	PQSZGUNTUWFCJT-HOTGVXAUSA-N	1	0	350.850	1.241	20	30		FDEDRO
C[C@@H]1COCC[N@@H+]1C1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000567403009	548106226	/nfs/dbraw/zinc/10/62/26/548106226.db2.gz	DFFDKKMPQMDDNT-OXQOHEQNSA-N	1	0	368.481	1.849	20	30		FDEDRO
N#CC1(CC[N@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CCCCC1	ZINC000567467341	548127590	/nfs/dbraw/zinc/12/75/90/548127590.db2.gz	YMSAKCJBGJLGHX-KRWDZBQOSA-N	1	0	369.531	1.977	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)n1)Cc1ccccc1	ZINC000567468929	548128444	/nfs/dbraw/zinc/12/84/44/548128444.db2.gz	HRXHBXWQFCMPHZ-MRXNPFEDSA-N	1	0	351.410	1.181	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1	ZINC000567501662	548143359	/nfs/dbraw/zinc/14/33/59/548143359.db2.gz	ASKGQYGFJFMTIX-STQMWFEESA-N	1	0	354.476	1.740	20	30		FDEDRO
COCCN1CCC[C@H]1C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1	ZINC000567680313	548208793	/nfs/dbraw/zinc/20/87/93/548208793.db2.gz	VRSJTWDLIYDXOY-INIZCTEOSA-N	1	0	351.472	1.032	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)n1	ZINC000567823218	548275471	/nfs/dbraw/zinc/27/54/71/548275471.db2.gz	NQTQODJRRXHJOT-UHFFFAOYSA-N	1	0	363.421	1.673	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCC[C@H](C[NH3+])C3)C2=O)cc1	ZINC000568730900	548654372	/nfs/dbraw/zinc/65/43/72/548654372.db2.gz	SLQYZJDRIHTVHR-WBVHZDCISA-N	1	0	355.442	1.434	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000569060844	548781014	/nfs/dbraw/zinc/78/10/14/548781014.db2.gz	DROFUCXCYNDNCC-ZWKOTPCHSA-N	1	0	354.454	1.650	20	30		FDEDRO
CN(CCOCc1ccc(C#N)cc1)c1cc(N2CCC[C@H]2CO)ncn1	ZINC000569164529	548819117	/nfs/dbraw/zinc/81/91/17/548819117.db2.gz	GWTMDJGWJAGWAG-SFHVURJKSA-N	1	0	367.453	1.962	20	30		FDEDRO
N#Cc1ccc(CN2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c([N+](=O)[O-])c1	ZINC000569582454	548970716	/nfs/dbraw/zinc/97/07/16/548970716.db2.gz	UTXBQZSMJNJMDK-INIZCTEOSA-N	1	0	357.414	1.253	20	30		FDEDRO
C[C@@H]1CN(C[C@@H](O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)C[C@@H](C)O1	ZINC000570536755	549316045	/nfs/dbraw/zinc/31/60/45/549316045.db2.gz	FPTCOCHJQURPKJ-LMMKCTJWSA-N	1	0	373.497	1.872	20	30		FDEDRO
C[C@]1(CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CCC[NH2+]C1	ZINC000571865615	549785383	/nfs/dbraw/zinc/78/53/83/549785383.db2.gz	WDMPIKWFQKKSLW-FQEVSTJZSA-N	1	0	355.486	1.775	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)n2)c(F)c1	ZINC000572224729	549868272	/nfs/dbraw/zinc/86/82/72/549868272.db2.gz	LXEOSVFEKURXPM-KBPBESRZSA-N	1	0	354.389	1.956	20	30		FDEDRO
N#CCCN(C(=O)C[NH2+][C@H](CO)C1CCOCC1)c1cccc(Cl)c1	ZINC000572554323	549941599	/nfs/dbraw/zinc/94/15/99/549941599.db2.gz	SXNRTILFWIKLOX-QGZVFWFLSA-N	1	0	365.861	1.964	20	30		FDEDRO
C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000572777507	549992505	/nfs/dbraw/zinc/99/25/05/549992505.db2.gz	LIDPMAOEHSGAGL-HUUCEWRRSA-N	1	0	354.454	1.826	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+][C@H](CN3CCOCC3)c3ccccc3)cnc12	ZINC000572942202	550028729	/nfs/dbraw/zinc/02/87/29/550028729.db2.gz	BGCXMVGGFWFJPA-LJQANCHMSA-N	1	0	362.437	1.764	20	30		FDEDRO
CSC1(CNS(=O)(=O)Cc2cc(C#N)ccc2F)CC[NH+](C)CC1	ZINC000573048296	550052182	/nfs/dbraw/zinc/05/21/82/550052182.db2.gz	YNSNGYBONBBOCQ-UHFFFAOYSA-N	1	0	371.503	1.944	20	30		FDEDRO
CC1(C)C[C@@]1(C#N)NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)C1CCCCC1	ZINC000573183705	550081291	/nfs/dbraw/zinc/08/12/91/550081291.db2.gz	MJOBZNISUHTIAF-BEFAXECRSA-N	1	0	357.458	1.826	20	30		FDEDRO
C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)Nc2cccc(C#N)n2)C1	ZINC000573366981	550121759	/nfs/dbraw/zinc/12/17/59/550121759.db2.gz	ALAHCTJMZFGIHX-OKILXGFUSA-N	1	0	357.458	1.764	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(c3cnccc3C#N)CC2)CC1	ZINC000573540008	550159586	/nfs/dbraw/zinc/15/95/86/550159586.db2.gz	ZCSJEQMRKBTCCG-UHFFFAOYSA-N	1	0	368.485	1.825	20	30		FDEDRO
CC(C)(CC[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)S(C)(=O)=O	ZINC000573596416	550173119	/nfs/dbraw/zinc/17/31/19/550173119.db2.gz	MZLQEMVVJUKNMM-OAHLLOKOSA-N	1	0	354.472	1.295	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H](CCO)C2CCOCC2)c1	ZINC000573771971	550207467	/nfs/dbraw/zinc/20/74/67/550207467.db2.gz	WBFUBWSQFKAWGL-KRWDZBQOSA-N	1	0	352.456	1.099	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCc2cc(F)cc(F)c2)nc1	ZINC000573795512	550212249	/nfs/dbraw/zinc/21/22/49/550212249.db2.gz	RDCWNUFAIQLWGO-UHFFFAOYSA-N	1	0	351.378	1.837	20	30		FDEDRO
C[NH+](C)CCOC1CCN(S(=O)(=O)Cc2ccc(CC#N)cc2)CC1	ZINC000573958879	550238343	/nfs/dbraw/zinc/23/83/43/550238343.db2.gz	KOIMDMIKBMPHNW-UHFFFAOYSA-N	1	0	365.499	1.625	20	30		FDEDRO
N#Cc1ccc(Br)c(CN2C(=O)NC3(CC[NH2+]CC3)C2=O)c1	ZINC000574154672	550266643	/nfs/dbraw/zinc/26/66/43/550266643.db2.gz	LOXDXMZTXSJMCS-UHFFFAOYSA-N	1	0	363.215	1.495	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCN(c3cccnc3)C2=O)cc1	ZINC000574311897	550293883	/nfs/dbraw/zinc/29/38/83/550293883.db2.gz	FIVXKEQFDNRKNY-IEBWSBKVSA-N	1	0	366.421	1.478	20	30		FDEDRO
CCCNC(=O)Cn1c2c(cc(C#N)c1=O)C[N@@H+](Cc1ccccc1)CC2	ZINC000574465326	550318882	/nfs/dbraw/zinc/31/88/82/550318882.db2.gz	KDSBTVZTWAYRCQ-UHFFFAOYSA-N	1	0	364.449	1.804	20	30		FDEDRO
C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000574620932	550343105	/nfs/dbraw/zinc/34/31/05/550343105.db2.gz	UXEHVXFIUQYXHX-RISCZKNCSA-N	1	0	355.402	1.373	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)NCc3ccc(C#N)c(F)c3)C2)CC1	ZINC000574656656	550349246	/nfs/dbraw/zinc/34/92/46/550349246.db2.gz	VJYNAEUJBYONJS-QGZVFWFLSA-N	1	0	359.449	1.619	20	30		FDEDRO
N#CCc1ccccc1NC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000574788500	550370915	/nfs/dbraw/zinc/37/09/15/550370915.db2.gz	FGYCCGLJCWJQRS-GOSISDBHSA-N	1	0	370.453	1.404	20	30		FDEDRO
CC(C)Cn1nc(C(=O)N[C@@](C)(C#N)CN(C)C)c2ccccc2c1=O	ZINC000575049762	550415648	/nfs/dbraw/zinc/41/56/48/550415648.db2.gz	NMLJBVOGCIPONA-IBGZPJMESA-N	1	0	355.442	1.626	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)CCOCc1ccc(C#N)cc1	ZINC000575156256	550435970	/nfs/dbraw/zinc/43/59/70/550435970.db2.gz	MPOZPBSWQKFYLH-LJQANCHMSA-N	1	0	374.485	1.827	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O	ZINC000575743025	550471017	/nfs/dbraw/zinc/47/10/17/550471017.db2.gz	QNZRFGZTBWFPCZ-ROUUACIJSA-N	1	0	370.453	1.283	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC(CC[NH3+])CC3)C2=O)cc1	ZINC000575810897	550478588	/nfs/dbraw/zinc/47/85/88/550478588.db2.gz	YJAPJVIHXBJRGC-SFHVURJKSA-N	1	0	369.469	1.430	20	30		FDEDRO
COc1ccc(CC[NH2+]Cc2cnc3c(C#N)cnn3c2)c(OC)c1OC	ZINC000575887560	550487205	/nfs/dbraw/zinc/48/72/05/550487205.db2.gz	APGALNXATSCJGJ-UHFFFAOYSA-N	1	0	367.409	1.959	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CC4CCC3(C[NH3+])CC4)cc2C1=O	ZINC000575931219	550492243	/nfs/dbraw/zinc/49/22/43/550492243.db2.gz	IUVISUHCFZQXMV-UHFFFAOYSA-N	1	0	353.422	1.812	20	30		FDEDRO
CC[NH+](CC)CCS(=O)(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1	ZINC000576388230	550543324	/nfs/dbraw/zinc/54/33/24/550543324.db2.gz	KABPJEXRQXYVHK-SFHVURJKSA-N	1	0	364.515	1.368	20	30		FDEDRO
C[C@@H]1[C@H](NC(=O)C(=O)Nc2cccc(C#N)n2)CC[N@@H+]1Cc1ccccc1	ZINC000576582069	550564833	/nfs/dbraw/zinc/56/48/33/550564833.db2.gz	XENAJYGZCZTSKE-RHSMWYFYSA-N	1	0	363.421	1.671	20	30		FDEDRO
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)n1	ZINC000576727868	550579599	/nfs/dbraw/zinc/57/95/99/550579599.db2.gz	GNIHMPHXILGZHV-OCCSQVGLSA-N	1	0	370.844	2.471	20	30		FDEDRO
N#Cc1cccc(NC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)n1	ZINC000576752558	550582159	/nfs/dbraw/zinc/58/21/59/550582159.db2.gz	CFVSMQVKYVQTBA-IAGOWNOFSA-N	1	0	351.410	1.710	20	30		FDEDRO
CC(C)(C)[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CCO1	ZINC000577097399	550620184	/nfs/dbraw/zinc/62/01/84/550620184.db2.gz	FUMOMVNIVPKUSC-CABCVRRESA-N	1	0	351.472	1.910	20	30		FDEDRO
CC[NH+](CC)CCS(=O)(=O)N1CCN(c2cccc(F)c2C#N)CC1	ZINC000577107912	550621530	/nfs/dbraw/zinc/62/15/30/550621530.db2.gz	SFWPYFHGFWSLKA-UHFFFAOYSA-N	1	0	368.478	1.491	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H](O)CCc2ccccc2)nc1	ZINC000577492550	550662362	/nfs/dbraw/zinc/66/23/62/550662362.db2.gz	KJCMFAHWSXILGF-QGZVFWFLSA-N	1	0	359.451	1.310	20	30		FDEDRO
COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1	ZINC000577497075	550662975	/nfs/dbraw/zinc/66/29/75/550662975.db2.gz	RTKTUTNIBLNABC-CZUORRHYSA-N	1	0	360.414	1.830	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCN2CCc3ccccc32)nc1	ZINC000577503879	550664031	/nfs/dbraw/zinc/66/40/31/550664031.db2.gz	VKMBBFLMPRIBHX-UHFFFAOYSA-N	1	0	370.478	1.769	20	30		FDEDRO
CN(C)C[C@@](C)(C#N)NC(=O)CN(C)C(=O)c1ccc(Br)o1	ZINC000577519255	550665784	/nfs/dbraw/zinc/66/57/84/550665784.db2.gz	TVVWIUUEUQSDIQ-CQSZACIVSA-N	1	0	371.235	1.074	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000577626711	550677126	/nfs/dbraw/zinc/67/71/26/550677126.db2.gz	PVCGFOQYDOTWNL-UHFFFAOYSA-N	1	0	351.491	1.610	20	30		FDEDRO
CC(C)[N@@H+](C)C[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1	ZINC000578268878	550746417	/nfs/dbraw/zinc/74/64/17/550746417.db2.gz	HGYJHWSSFBYVIW-AWEZNQCLSA-N	1	0	366.487	1.024	20	30		FDEDRO
COc1cc(CNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1C#N	ZINC000578298033	550748761	/nfs/dbraw/zinc/74/87/61/550748761.db2.gz	PDVMWBREPIEGAJ-OAQYLSRUSA-N	1	0	365.433	1.820	20	30		FDEDRO
C=CCCCNC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000578360930	550756406	/nfs/dbraw/zinc/75/64/06/550756406.db2.gz	LNKXBSIZIJCRHV-CALCHBBNSA-N	1	0	350.507	1.086	20	30		FDEDRO
CC(=O)NCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1CCSCC1	ZINC000578554812	550776777	/nfs/dbraw/zinc/77/67/77/550776777.db2.gz	ZADYMQKOBOZIMI-QGZVFWFLSA-N	1	0	354.520	1.375	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(S(=O)(=O)CCC(C)(C)C#N)CC1	ZINC000578680646	550790453	/nfs/dbraw/zinc/79/04/53/550790453.db2.gz	YQCOOLGQGJVCGW-CALCHBBNSA-N	1	0	370.563	1.746	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)c1ccn(CC[NH+](C)C)n1	ZINC000578880312	550811417	/nfs/dbraw/zinc/81/14/17/550811417.db2.gz	ILWZEMNQVIFGBL-UHFFFAOYSA-N	1	0	357.414	1.594	20	30		FDEDRO
N#C[C@@H]1N(CC(=O)NC2CC[NH+](C3CC3)CC2)CCC[C@]12CCCCO2	ZINC000579077377	550832411	/nfs/dbraw/zinc/83/24/11/550832411.db2.gz	RMRGJPHGVIPKGA-AZUAARDMSA-N	1	0	360.502	1.657	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1	ZINC000579613199	550892688	/nfs/dbraw/zinc/89/26/88/550892688.db2.gz	HSGSIYQCLSRLSA-IAGOWNOFSA-N	1	0	351.491	1.594	20	30		FDEDRO
CCc1cnccc1[C@@H](C)[NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000579880595	550919738	/nfs/dbraw/zinc/91/97/38/550919738.db2.gz	BTFDWBPYTDXSKD-APWZRJJASA-N	1	0	357.502	1.987	20	30		FDEDRO
C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000580052882	550937549	/nfs/dbraw/zinc/93/75/49/550937549.db2.gz	CASIPIYTZVWBSQ-DLBZAZTESA-N	1	0	355.442	1.053	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000580164981	550949407	/nfs/dbraw/zinc/94/94/07/550949407.db2.gz	HDWWHZAOIJXVSH-INIZCTEOSA-N	1	0	356.474	1.517	20	30		FDEDRO
N#Cc1cccnc1-n1cc(NC(=O)NC[C@H]2CCCC[N@H+]2CCO)cn1	ZINC000580287078	550962502	/nfs/dbraw/zinc/96/25/02/550962502.db2.gz	BMAYODBUBKJBFV-MRXNPFEDSA-N	1	0	369.429	1.107	20	30		FDEDRO
CC1CC[NH+](C[C@H](O)CNCCS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000580327330	550967781	/nfs/dbraw/zinc/96/77/81/550967781.db2.gz	HPAUJLRJVGOERL-QGZVFWFLSA-N	1	0	365.499	1.014	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)CCS(=O)(=O)c2ccc(C#N)cn2)C[C@@H]1C	ZINC000580477751	550986338	/nfs/dbraw/zinc/98/63/38/550986338.db2.gz	CHDJQYSJUNEYLW-HOCLYGCPSA-N	1	0	350.488	1.532	20	30		FDEDRO
N#Cc1nccc(NCCCC[NH+]2CCN(Cc3ccccc3)CC2)n1	ZINC000580659645	551005590	/nfs/dbraw/zinc/00/55/90/551005590.db2.gz	RQWHIZHARFWNDM-UHFFFAOYSA-N	1	0	350.470	1.780	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000580828589	551022848	/nfs/dbraw/zinc/02/28/48/551022848.db2.gz	CTGBVHFXQXCHNC-SXLOBPIMSA-N	1	0	360.502	1.072	20	30		FDEDRO
C=C(C)Cn1c(CC(C)C)nnc1N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1	ZINC000581292482	551072621	/nfs/dbraw/zinc/07/26/21/551072621.db2.gz	OZEUBXHVKYLYBU-QGZVFWFLSA-N	1	0	374.533	1.843	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]Cc1nc2c(cccc2Br)[nH]1	ZINC000581424645	551087079	/nfs/dbraw/zinc/08/70/79/551087079.db2.gz	AIHRXFLDWCBATE-NSHDSACASA-N	1	0	366.263	1.621	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1cccnc1N1CC[NH+](C)CC1	ZINC000581708974	551125196	/nfs/dbraw/zinc/12/51/96/551125196.db2.gz	BKMIDPBOGFVGPD-SJORKVTESA-N	1	0	359.474	1.366	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1	ZINC000582241392	551195464	/nfs/dbraw/zinc/19/54/64/551195464.db2.gz	PVGUTWMMGGQJKK-GHMZBOCLSA-N	1	0	370.272	1.551	20	30		FDEDRO
N#CC1(c2ccccc2)CCC([NH2+]CC2(O)CCS(=O)(=O)CC2)CC1	ZINC000583098084	551303317	/nfs/dbraw/zinc/30/33/17/551303317.db2.gz	NHXRBFHIPCHYQR-UHFFFAOYSA-N	1	0	362.495	1.920	20	30		FDEDRO
CNC(=O)C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccccc1	ZINC000583864794	551412367	/nfs/dbraw/zinc/41/23/67/551412367.db2.gz	VIKYINCGXPFUOH-ICSRJNTNSA-N	1	0	367.449	1.959	20	30		FDEDRO
CC[NH+]1CCC(N2CCCN(C(=O)c3ncc(C#N)cc3C)CC2)CC1	ZINC000584714345	551534893	/nfs/dbraw/zinc/53/48/93/551534893.db2.gz	QCDLFKFWAIOUKG-UHFFFAOYSA-N	1	0	355.486	1.894	20	30		FDEDRO
CCNC(=O)C[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1	ZINC000585754772	551593179	/nfs/dbraw/zinc/59/31/79/551593179.db2.gz	JUPIIFJMVWVTCR-MSOLQXFVSA-N	1	0	359.470	1.873	20	30		FDEDRO
N#CCN1CCC([NH2+]Cc2ncc(I)s2)CC1	ZINC000586776885	551618198	/nfs/dbraw/zinc/61/81/98/551618198.db2.gz	DYHZMDSWTRPCSZ-UHFFFAOYSA-N	1	0	362.240	1.825	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)c1cccc(C#N)c1	ZINC000587730909	551635090	/nfs/dbraw/zinc/63/50/90/551635090.db2.gz	OENMRTARQZSHFP-YOEHRIQHSA-N	1	0	356.470	1.972	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)c1cccc(C#N)c1	ZINC000587730908	551635103	/nfs/dbraw/zinc/63/51/03/551635103.db2.gz	OENMRTARQZSHFP-WMLDXEAASA-N	1	0	356.470	1.972	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1)c1cccc(C#N)c1	ZINC000587720506	551635158	/nfs/dbraw/zinc/63/51/58/551635158.db2.gz	VEVUKRCIFBEOAD-OAHLLOKOSA-N	1	0	368.437	1.919	20	30		FDEDRO
C[NH+](C)CCCOc1ccc(NC(=O)NCCn2cnc(C#N)n2)cc1	ZINC000588244687	551661969	/nfs/dbraw/zinc/66/19/69/551661969.db2.gz	VVAFOBHAGIJBMM-UHFFFAOYSA-N	1	0	357.418	1.302	20	30		FDEDRO
N#Cc1cccc(OCc2ccoc2C(=O)N[C@@H](CO)C[NH+]2CCCC2)c1	ZINC000588869942	551695630	/nfs/dbraw/zinc/69/56/30/551695630.db2.gz	QSEZZYRQEDMJGD-QGZVFWFLSA-N	1	0	369.421	1.917	20	30		FDEDRO
N#Cc1cccc(OCc2ccoc2C(=O)N[C@H](CO)C[NH+]2CCCC2)c1	ZINC000588869940	551695726	/nfs/dbraw/zinc/69/57/26/551695726.db2.gz	QSEZZYRQEDMJGD-KRWDZBQOSA-N	1	0	369.421	1.917	20	30		FDEDRO
CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(O)cc(C#N)c1	ZINC000589208147	551717152	/nfs/dbraw/zinc/71/71/52/551717152.db2.gz	VUGQJORXNQDYHU-OAQYLSRUSA-N	1	0	365.433	1.973	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1F	ZINC000589409821	551728163	/nfs/dbraw/zinc/72/81/63/551728163.db2.gz	MATVIIVLPPFKKN-UHFFFAOYSA-N	1	0	350.313	1.855	20	30		FDEDRO
N#Cc1cccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)n1	ZINC000589457489	551731609	/nfs/dbraw/zinc/73/16/09/551731609.db2.gz	IHVTUEZFDXKMCG-QFBILLFUSA-N	1	0	350.422	1.566	20	30		FDEDRO
COc1cc(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc1C#N	ZINC000589626288	551739268	/nfs/dbraw/zinc/73/92/68/551739268.db2.gz	CIYPTLGATHYXHC-ROUUACIJSA-N	1	0	372.469	1.744	20	30		FDEDRO
C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CCCCCC#N)c1	ZINC000589846308	551747773	/nfs/dbraw/zinc/74/77/73/551747773.db2.gz	FNCIYEZBRQUXDH-UHFFFAOYSA-N	1	0	366.487	1.939	20	30		FDEDRO
CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000589901441	551750287	/nfs/dbraw/zinc/75/02/87/551750287.db2.gz	SCMCEPINRDQMLT-IRXDYDNUSA-N	1	0	357.458	1.990	20	30		FDEDRO
CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000589901439	551750304	/nfs/dbraw/zinc/75/03/04/551750304.db2.gz	SCMCEPINRDQMLT-DLBZAZTESA-N	1	0	357.458	1.990	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)[C@@H]2C1	ZINC000590010810	551757075	/nfs/dbraw/zinc/75/70/75/551757075.db2.gz	YQJWKWNJYAEOIN-WMLDXEAASA-N	1	0	350.426	1.318	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)CN2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1	ZINC000590012311	551757222	/nfs/dbraw/zinc/75/72/22/551757222.db2.gz	QLBINXMLDBFYOP-VQIMIIECSA-N	1	0	356.470	1.968	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1	ZINC000590338318	551774811	/nfs/dbraw/zinc/77/48/11/551774811.db2.gz	XCXJGOFAVIEDHJ-ICSRJNTNSA-N	1	0	359.470	1.877	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C	ZINC000590402214	551780927	/nfs/dbraw/zinc/78/09/27/551780927.db2.gz	AEUIQOCGURLNKV-YOEHRIQHSA-N	1	0	354.458	1.701	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1	ZINC000590781446	551815688	/nfs/dbraw/zinc/81/56/88/551815688.db2.gz	DITARTLZQMTRHF-OAHLLOKOSA-N	1	0	358.442	1.884	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1F	ZINC000591308367	551860050	/nfs/dbraw/zinc/86/00/50/551860050.db2.gz	UEJHCYHUXMDAKN-LSDHHAIUSA-N	1	0	358.417	1.874	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)CC2)nc1	ZINC000591350581	551865001	/nfs/dbraw/zinc/86/50/01/551865001.db2.gz	RKQHMSUYYQPGQJ-SZMVWBNQSA-N	1	0	368.485	1.691	20	30		FDEDRO
CC[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[C@@H]1[NH3+]	ZINC000591356568	551865670	/nfs/dbraw/zinc/86/56/70/551865670.db2.gz	XCSDPEZVMMTZNO-BPQIPLTHSA-N	1	0	369.469	1.822	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCC[C@H]2CC[NH2+]C2)CC1	ZINC000591359406	551865954	/nfs/dbraw/zinc/86/59/54/551865954.db2.gz	QDIDJGRFODJZBY-CYBMUJFWSA-N	1	0	358.446	1.255	20	30		FDEDRO
CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000591360753	551866218	/nfs/dbraw/zinc/86/62/18/551866218.db2.gz	PSQUBAVSMYTKFF-INIZCTEOSA-N	1	0	356.474	1.563	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)c1cccc(C#N)c1	ZINC000591404269	551868301	/nfs/dbraw/zinc/86/83/01/551868301.db2.gz	KFHBUFMGGSVRTB-OAHLLOKOSA-N	1	0	350.422	1.723	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+]CCC(=O)Nc3cccnc3)CC2)nc1	ZINC000591736512	551904814	/nfs/dbraw/zinc/90/48/14/551904814.db2.gz	OJRHJUKHOLRJID-UHFFFAOYSA-N	1	0	350.426	1.935	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)cc1	ZINC000591754797	551906422	/nfs/dbraw/zinc/90/64/22/551906422.db2.gz	ZGFPXGMXVGEWLX-ROUUACIJSA-N	1	0	357.454	1.679	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H](O)CN1C(=O)c2ccccc2C1=O	ZINC000591763722	551906796	/nfs/dbraw/zinc/90/67/96/551906796.db2.gz	DWJAODAFCQGYGX-KXBFYZLASA-N	1	0	361.401	1.792	20	30		FDEDRO
COc1ccc([C@H](CNC(=O)N2CC[C@@](O)(CC#N)C2)[NH+]2CCCC2)cc1	ZINC000591892831	551913923	/nfs/dbraw/zinc/91/39/23/551913923.db2.gz	UUWZVYPVFXMCSL-ICSRJNTNSA-N	1	0	372.469	1.892	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)NCc1ccc(CC#N)cc1)[NH+]1CCN(C)CC1	ZINC000591903016	551914957	/nfs/dbraw/zinc/91/49/57/551914957.db2.gz	IDHKPIJNBKDHBX-LJQANCHMSA-N	1	0	357.502	1.824	20	30		FDEDRO
N#CC[C@@]1(O)CCN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1	ZINC000591954682	551920229	/nfs/dbraw/zinc/92/02/29/551920229.db2.gz	RKZXAWMYDFOFND-AZUAARDMSA-N	1	0	356.470	1.611	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@](O)(CC#N)C2)[C@H](C)C1	ZINC000591962703	551920994	/nfs/dbraw/zinc/92/09/94/551920994.db2.gz	AHWGQZGWPUZMBO-RYRKJORJSA-N	1	0	352.479	1.183	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@](O)(CC#N)C1	ZINC000591976339	551922893	/nfs/dbraw/zinc/92/28/93/551922893.db2.gz	RJFOAJYCNUKFEL-IMFGXOCKSA-N	1	0	356.470	1.957	20	30		FDEDRO
N#CCc1ccc(CS(=O)(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1	ZINC000592012567	551926517	/nfs/dbraw/zinc/92/65/17/551926517.db2.gz	MVCYWKCAVKOBTF-UHFFFAOYSA-N	1	0	356.451	1.800	20	30		FDEDRO
N#CC[C@@]1(O)CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1	ZINC000592018756	551927408	/nfs/dbraw/zinc/92/74/08/551927408.db2.gz	XRNDZWUWKNRMBW-AZUAARDMSA-N	1	0	372.469	1.338	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1	ZINC000592088348	551938771	/nfs/dbraw/zinc/93/87/71/551938771.db2.gz	HHVCZTMBPCEIKO-OIISXLGYSA-N	1	0	350.488	1.400	20	30		FDEDRO
CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2ccncc2C#N)CC1	ZINC000592121742	551945868	/nfs/dbraw/zinc/94/58/68/551945868.db2.gz	HVYKYMDHRBYRGC-AWEZNQCLSA-N	1	0	350.488	1.835	20	30		FDEDRO
N#CC[C@@]1(O)CC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C1	ZINC000592150216	551950189	/nfs/dbraw/zinc/95/01/89/551950189.db2.gz	BDBKNOIWSNPRAW-MRXNPFEDSA-N	1	0	350.806	1.118	20	30		FDEDRO
N#CC1(NC(=O)C[N@@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)CCCCC1	ZINC000592154385	551951156	/nfs/dbraw/zinc/95/11/56/551951156.db2.gz	QMICUFDDGQHFHT-SFHVURJKSA-N	1	0	368.481	1.967	20	30		FDEDRO
COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000592199894	551958079	/nfs/dbraw/zinc/95/80/79/551958079.db2.gz	VGCIHPXZBXLVMW-TZMCWYRMSA-N	1	0	365.817	1.396	20	30		FDEDRO
N#CCCC1CCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1	ZINC000592216450	551961624	/nfs/dbraw/zinc/96/16/24/551961624.db2.gz	MJEMADHFOKXWHU-AWEZNQCLSA-N	1	0	361.412	1.548	20	30		FDEDRO
C[N@@H+]1C[C@@H](CNC(=O)C(=O)Nc2cccc(C#N)n2)[C@H](c2ccccc2)C1	ZINC000592308267	551977269	/nfs/dbraw/zinc/97/72/69/551977269.db2.gz	GMQBCEQKODNCLZ-WBVHZDCISA-N	1	0	363.421	1.353	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CCCc3c2cnn3CCO)c1	ZINC000592429328	551994162	/nfs/dbraw/zinc/99/41/62/551994162.db2.gz	HCDDXVZPFCJMBX-QGZVFWFLSA-N	1	0	374.466	1.188	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+])c1ccc(C#N)cc1	ZINC000592442837	551996167	/nfs/dbraw/zinc/99/61/67/551996167.db2.gz	USHMBZKESISIAE-IFXJQAMLSA-N	1	0	362.433	1.820	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)cc1	ZINC000592442368	551996196	/nfs/dbraw/zinc/99/61/96/551996196.db2.gz	OGHHFAAQSUKWRU-UHFFFAOYSA-N	1	0	350.422	1.356	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+][C@H]3CCN(C(=O)C4CCCCC4)C3)cnc12	ZINC000592503522	552003158	/nfs/dbraw/zinc/00/31/58/552003158.db2.gz	BGWWSFVWCDNKEU-KRWDZBQOSA-N	1	0	352.442	1.872	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N2CCC[NH2+]C[C@H]2C(=O)OC)c(OC)c1	ZINC000592549227	552007205	/nfs/dbraw/zinc/00/72/05/552007205.db2.gz	MWEUTRIIGPSKDR-HNNXBMFYSA-N	1	0	362.426	1.166	20	30		FDEDRO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1	ZINC000592871507	552037444	/nfs/dbraw/zinc/03/74/44/552037444.db2.gz	IXSQMHDEQKFIGI-YJBOKZPZSA-N	1	0	369.469	1.105	20	30		FDEDRO
N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)[C@H]2CCc3cncn3C2)CC1	ZINC000592947121	552046952	/nfs/dbraw/zinc/04/69/52/552046952.db2.gz	QZXSVADJJRHBGR-LPHOPBHVSA-N	1	0	367.428	1.994	20	30		FDEDRO
COCC[N@@H+]1CCN(CC(=O)N(CCC#N)c2ccccc2)C(C)(C)C1	ZINC000593101549	552062483	/nfs/dbraw/zinc/06/24/83/552062483.db2.gz	XHUBHZNJPNMOST-UHFFFAOYSA-N	1	0	358.486	1.976	20	30		FDEDRO
CC[C@]1(COC)NC(=O)N(C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1=O	ZINC000593230643	552074994	/nfs/dbraw/zinc/07/49/94/552074994.db2.gz	DNGTUBGEFCZJIU-HXUWFJFHSA-N	1	0	370.453	1.870	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1=O	ZINC000593233267	552075220	/nfs/dbraw/zinc/07/52/20/552075220.db2.gz	UKOOGOBUWRMOQL-SFHVURJKSA-N	1	0	368.437	1.646	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)NCC3(C#N)CCCC3)cn2)CC1	ZINC000593300570	552085628	/nfs/dbraw/zinc/08/56/28/552085628.db2.gz	UNBHEDVDNQDLDO-UHFFFAOYSA-N	1	0	356.474	1.717	20	30		FDEDRO
Cc1nnc(CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)o1	ZINC000593325061	552090175	/nfs/dbraw/zinc/09/01/75/552090175.db2.gz	SGUMEEBMAOXDJM-UHFFFAOYSA-N	1	0	354.414	1.714	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)N2Cc3cccc(C#N)c3C2)CC1	ZINC000593361548	552095786	/nfs/dbraw/zinc/09/57/86/552095786.db2.gz	YNYBZBUCMJSLCD-INIZCTEOSA-N	1	0	355.486	1.857	20	30		FDEDRO
N#Cc1cccc2c1CN(C(=O)NC1CC[NH+]([C@H]3CCC[C@@H]3O)CC1)C2	ZINC000593381542	552099303	/nfs/dbraw/zinc/09/93/03/552099303.db2.gz	IAVONXDXVZGUCZ-OALUTQOASA-N	1	0	354.454	1.961	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC[C@]1(O)CCCOC1	ZINC000593506546	552119069	/nfs/dbraw/zinc/11/90/69/552119069.db2.gz	QSHHQZAAKKLXMP-HXUWFJFHSA-N	1	0	374.485	1.563	20	30		FDEDRO
C[C@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C[C@@H](CO)O1	ZINC000593513385	552119907	/nfs/dbraw/zinc/11/99/07/552119907.db2.gz	IRRJQMBKUFPVCZ-KXBFYZLASA-N	1	0	372.469	1.314	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NCC3(CO)CCC3)CC2)c1	ZINC000593513359	552120048	/nfs/dbraw/zinc/12/00/48/552120048.db2.gz	IBLMDNFQXZRHLQ-UHFFFAOYSA-N	1	0	356.470	1.984	20	30		FDEDRO
CO[C@@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C[C@@H]1OC	ZINC000593513613	552120227	/nfs/dbraw/zinc/12/02/27/552120227.db2.gz	LZQBJBJWVVNWOL-KDURUIRLSA-N	1	0	372.469	1.578	20	30		FDEDRO
C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C[C@@H](CO)O1	ZINC000593513382	552120293	/nfs/dbraw/zinc/12/02/93/552120293.db2.gz	IRRJQMBKUFPVCZ-BEFAXECRSA-N	1	0	372.469	1.314	20	30		FDEDRO
CCC[C@@H](O)[C@H](CO)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593515559	552121223	/nfs/dbraw/zinc/12/12/23/552121223.db2.gz	KMIURQLKMYMLSR-RBUKOAKNSA-N	1	0	374.485	1.344	20	30		FDEDRO
C[NH+](C)C[C@@](C)(O)CNC(=O)Cc1ccc(Br)cc1C#N	ZINC000593547673	552129916	/nfs/dbraw/zinc/12/99/16/552129916.db2.gz	ICDZBEMMDMNKLG-HNNXBMFYSA-N	1	0	354.248	1.292	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C	ZINC000593551115	552130712	/nfs/dbraw/zinc/13/07/12/552130712.db2.gz	UODJUZIXFIEMME-DOMZBBRYSA-N	1	0	365.455	1.306	20	30		FDEDRO
N#Cc1sccc1S(=O)(=O)N1CCC(OCC[NH+]2CCCC2)CC1	ZINC000593559019	552133485	/nfs/dbraw/zinc/13/34/85/552133485.db2.gz	VSGVZRGJVMOOBX-UHFFFAOYSA-N	1	0	369.512	1.885	20	30		FDEDRO
CCN1C[C@@H](C)N(S(=O)(=O)c2ccc(C#N)cc2C(=O)OC)C[C@H]1C	ZINC000593568969	552137919	/nfs/dbraw/zinc/13/79/19/552137919.db2.gz	LOQUDHWPWYHXPW-CHWSQXEVSA-N	1	0	365.455	1.448	20	30		FDEDRO
N#CCCCS(=O)(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21	ZINC000593636683	552158439	/nfs/dbraw/zinc/15/84/39/552158439.db2.gz	XIGVQUVTAHLGQP-ZWKOTPCHSA-N	1	0	363.483	1.595	20	30		FDEDRO
N#Cc1cccc2c1CN(C(=O)NC1CCC(N3CC[NH2+]CC3)CC1)C2	ZINC000593717174	552181719	/nfs/dbraw/zinc/18/17/19/552181719.db2.gz	YGBAOCBRXWSAAV-UHFFFAOYSA-N	1	0	353.470	1.800	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1C#N	ZINC000593736451	552187154	/nfs/dbraw/zinc/18/71/54/552187154.db2.gz	STSVKBQBFOVNSR-ZMSDIMECSA-N	1	0	363.483	1.774	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NCCC2(C[NH3+])CC2)ccc1Br	ZINC000593766317	552194280	/nfs/dbraw/zinc/19/42/80/552194280.db2.gz	FLSIIWGRPJNGHO-UHFFFAOYSA-N	1	0	365.231	1.504	20	30		FDEDRO
C[NH2+]Cc1ccccc1CNC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1	ZINC000593768005	552194561	/nfs/dbraw/zinc/19/45/61/552194561.db2.gz	ONEHTSMOXWEETA-AWEZNQCLSA-N	1	0	350.422	1.771	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)c3coc(C(N)=O)c3)CC2)c1	ZINC000593885372	552217056	/nfs/dbraw/zinc/21/70/56/552217056.db2.gz	DQZGHPGBRVVJGM-UHFFFAOYSA-N	1	0	352.394	1.645	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CCC[C@H](C(N)=O)C3)CC2)c1	ZINC000593886539	552217820	/nfs/dbraw/zinc/21/78/20/552217820.db2.gz	QHRDBJNSZRSMQU-ROUUACIJSA-N	1	0	368.481	1.931	20	30		FDEDRO
COc1ccccc1[C@H]([NH3+])CNC(=O)COc1ccc(C#N)cc1OC	ZINC000593899611	552221164	/nfs/dbraw/zinc/22/11/64/552221164.db2.gz	DPGDKSLCHQEWAU-OAHLLOKOSA-N	1	0	355.394	1.770	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)CSc2nc(C)c(C)c(C)c2C#N)C[C@H]1C[NH3+]	ZINC000593916323	552225035	/nfs/dbraw/zinc/22/50/35/552225035.db2.gz	HQXQKYWLXPWLBN-GDBMZVCRSA-N	1	0	362.499	1.793	20	30		FDEDRO
Cc1cc2c(cc1C#N)[nH]nc2NC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C	ZINC000593916319	552225060	/nfs/dbraw/zinc/22/50/60/552225060.db2.gz	HLPUUMRPKDCOPG-ZBQZNYHESA-N	1	0	353.426	2.214	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1	ZINC000593919052	552225520	/nfs/dbraw/zinc/22/55/20/552225520.db2.gz	MVCWDXFGRSVGJE-JZXOWHBKSA-N	1	0	373.453	1.833	20	30		FDEDRO
CCN(CC1CC1)C(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593931955	552228775	/nfs/dbraw/zinc/22/87/75/552228775.db2.gz	HFPIAWRLGXIZKH-UHFFFAOYSA-N	1	0	368.481	1.897	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)CN1C[C@H](O)[C@@H]([NH+](C)C)C1	ZINC000593989655	552235362	/nfs/dbraw/zinc/23/53/62/552235362.db2.gz	WAAHZNSJYIVKLY-KBMXLJTQSA-N	1	0	362.499	1.484	20	30		FDEDRO
CC1(C)C(=O)N[C@H]1C1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000593993507	552235979	/nfs/dbraw/zinc/23/59/79/552235979.db2.gz	USGQNYIWGUEZSB-HKUYNNGSSA-N	1	0	371.481	1.729	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H](OC3CCC3)C2)CC1	ZINC000594027154	552240660	/nfs/dbraw/zinc/24/06/60/552240660.db2.gz	RSAUKMCKFPMALB-OALUTQOASA-N	1	0	362.518	1.712	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1	ZINC000594283583	552277402	/nfs/dbraw/zinc/27/74/02/552277402.db2.gz	KSGSALILXJUARI-ZWKOTPCHSA-N	1	0	368.485	1.802	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12	ZINC000594283547	552277430	/nfs/dbraw/zinc/27/74/30/552277430.db2.gz	JNISWJIMYNEYDN-HOTGVXAUSA-N	1	0	359.478	1.454	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2Cc3ccc(C#N)cc3C2)CC1=O	ZINC000594404545	552304549	/nfs/dbraw/zinc/30/45/49/552304549.db2.gz	IOIVVPCUSFMRRK-MOPGFXCFSA-N	1	0	366.465	1.733	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1	ZINC000594426176	552308222	/nfs/dbraw/zinc/30/82/22/552308222.db2.gz	DDRULRRDSIVXEW-KRWDZBQOSA-N	1	0	360.433	1.911	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N[C@H](C(N)=O)c1cccc(Br)c1	ZINC000594431091	552308460	/nfs/dbraw/zinc/30/84/60/552308460.db2.gz	HGQFVJLOORBBAY-STQMWFEESA-N	1	0	367.247	1.503	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1	ZINC000594427843	552308635	/nfs/dbraw/zinc/30/86/35/552308635.db2.gz	KEONCSNIIOCCFN-QGZVFWFLSA-N	1	0	358.442	1.186	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1	ZINC000594435161	552309103	/nfs/dbraw/zinc/30/91/03/552309103.db2.gz	AZFZZAXSVMVLAY-QZTJIDSGSA-N	1	0	356.470	1.748	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1	ZINC000594435094	552309193	/nfs/dbraw/zinc/30/91/93/552309193.db2.gz	AGAHVEKQIDIDLD-OAHLLOKOSA-N	1	0	368.441	1.259	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N1CCN(c2ncnc3ccsc32)CC1	ZINC000594438279	552309649	/nfs/dbraw/zinc/30/96/49/552309649.db2.gz	NSAMKQYMESKMGK-CYBMUJFWSA-N	1	0	358.471	1.751	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1	ZINC000594438947	552310304	/nfs/dbraw/zinc/31/03/04/552310304.db2.gz	RHGZQTNLBLOHAF-ROUUACIJSA-N	1	0	362.449	1.726	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N[C@H](Cc1ccccc1)CN1CCOCC1	ZINC000594439393	552310388	/nfs/dbraw/zinc/31/03/88/552310388.db2.gz	VIPWLXNZMQMZRA-MOPGFXCFSA-N	1	0	358.486	1.457	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1	ZINC000594440662	552310917	/nfs/dbraw/zinc/31/09/17/552310917.db2.gz	HKVRRIUANUYLEV-QGZVFWFLSA-N	1	0	373.457	1.307	20	30		FDEDRO
Cc1ccc(CC(=O)N2CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC2)cc1	ZINC000594440116	552311249	/nfs/dbraw/zinc/31/12/49/552311249.db2.gz	UENFUUVZYVKVPL-SFHVURJKSA-N	1	0	356.470	1.620	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1	ZINC000594442442	552311593	/nfs/dbraw/zinc/31/15/93/552311593.db2.gz	GHUQGLZRSCHUTG-JKSUJKDBSA-N	1	0	370.432	1.926	20	30		FDEDRO
COc1ccc([C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)N2CCOCC2)cc1	ZINC000594446664	552312364	/nfs/dbraw/zinc/31/23/64/552312364.db2.gz	WAWZXVIGXLOYFT-MOPGFXCFSA-N	1	0	374.485	1.596	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12	ZINC000594626856	552344983	/nfs/dbraw/zinc/34/49/83/552344983.db2.gz	TZMVTCLUXYAMCZ-ROUUACIJSA-N	1	0	354.454	1.650	20	30		FDEDRO
N#Cc1ccccc1S(=O)(=O)NCC1CC[NH+](C2CCOCC2)CC1	ZINC000594792903	552386588	/nfs/dbraw/zinc/38/65/88/552386588.db2.gz	SSXCUERDAQWMNP-UHFFFAOYSA-N	1	0	363.483	1.728	20	30		FDEDRO
C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)Cc1cccc(C#N)c1	ZINC000594802827	552390824	/nfs/dbraw/zinc/39/08/24/552390824.db2.gz	DSOXXKQHOQTSHT-HNNXBMFYSA-N	1	0	352.504	1.250	20	30		FDEDRO
N#CCC1(CS(=O)(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CC1	ZINC000594815750	552395976	/nfs/dbraw/zinc/39/59/76/552395976.db2.gz	BMPZIBSODUFCBT-QGZVFWFLSA-N	1	0	363.483	1.366	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)o1	ZINC000594816463	552395990	/nfs/dbraw/zinc/39/59/90/552395990.db2.gz	HZAORTPEFPXMPL-HNNXBMFYSA-N	1	0	361.423	1.196	20	30		FDEDRO
CN(CCC[NH+](C)C)CCNS(=O)(=O)Cc1ccc(CC#N)cc1	ZINC000594821801	552398959	/nfs/dbraw/zinc/39/89/59/552398959.db2.gz	NVGVYWCRYHXCEP-UHFFFAOYSA-N	1	0	352.504	1.056	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1	ZINC000594846605	552406662	/nfs/dbraw/zinc/40/66/62/552406662.db2.gz	ASTNOFBJPOCPMD-GOSISDBHSA-N	1	0	364.515	1.716	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1	ZINC000595114392	552455553	/nfs/dbraw/zinc/45/55/53/552455553.db2.gz	ZHVPXJNPXNYFLG-KSZLIROESA-N	1	0	363.483	1.606	20	30		FDEDRO
C[C@H](CCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[NH+](C)C	ZINC000595125770	552459113	/nfs/dbraw/zinc/45/91/13/552459113.db2.gz	PHYRNSHXUGXEJN-SNVBAGLBSA-N	1	0	372.347	1.852	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000595234832	552500816	/nfs/dbraw/zinc/50/08/16/552500816.db2.gz	GFSYKCUYGBAZGS-HNNXBMFYSA-N	1	0	374.441	1.075	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1	ZINC000595240670	552502754	/nfs/dbraw/zinc/50/27/54/552502754.db2.gz	VCSBNUMZQIOWQO-INIZCTEOSA-N	1	0	370.453	1.744	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)ccc1C#N	ZINC000595240986	552502849	/nfs/dbraw/zinc/50/28/49/552502849.db2.gz	ZCSOHPJDFIYWED-INIZCTEOSA-N	1	0	355.442	1.438	20	30		FDEDRO
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC12CC(C1)C[NH2+]2	ZINC000595249307	552505352	/nfs/dbraw/zinc/50/53/52/552505352.db2.gz	MOQZBRQZNUYCQG-WHENESEISA-N	1	0	358.467	1.888	20	30		FDEDRO
COC(=O)CCN1CC[C@@H]([NH+]2CCC(Oc3cccc(C#N)c3)CC2)C1=O	ZINC000595303941	552517629	/nfs/dbraw/zinc/51/76/29/552517629.db2.gz	RGBPWYIDKRBSND-GOSISDBHSA-N	1	0	371.437	1.565	20	30		FDEDRO
CO[C@@H](C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@H]1CCOC1	ZINC000595355831	552535105	/nfs/dbraw/zinc/53/51/05/552535105.db2.gz	RRGCZFSEFATRSS-PBHICJAKSA-N	1	0	372.425	1.980	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)ccc1Cl	ZINC000595383227	552543618	/nfs/dbraw/zinc/54/36/18/552543618.db2.gz	BDEKOUNSVATLKL-AWEZNQCLSA-N	1	0	369.874	1.431	20	30		FDEDRO
N#Cc1cc(F)c(S(=O)(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(F)c1	ZINC000595384952	552544258	/nfs/dbraw/zinc/54/42/58/552544258.db2.gz	QGZOIBUQZRRPMN-CYBMUJFWSA-N	1	0	371.409	1.056	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](CC#N)C3)CC2)o1	ZINC000595621869	552593956	/nfs/dbraw/zinc/59/39/56/552593956.db2.gz	YYOOCPUELRSQSR-HNNXBMFYSA-N	1	0	356.430	1.129	20	30		FDEDRO
C=CC[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1	ZINC000595658716	552598514	/nfs/dbraw/zinc/59/85/14/552598514.db2.gz	HXNUVXTXDAPRCP-INIZCTEOSA-N	1	0	357.458	1.791	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N1CCN(c2cccc(C#N)n2)CC1	ZINC000595662616	552599141	/nfs/dbraw/zinc/59/91/41/552599141.db2.gz	HSWIECOURZSABG-MRXNPFEDSA-N	1	0	356.474	1.658	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H]1CCO[C@H]1C(=O)OC	ZINC000595662488	552599151	/nfs/dbraw/zinc/59/91/51/552599151.db2.gz	NUNZSFXFRHPRRB-VHDGCEQUSA-N	1	0	352.456	1.571	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1	ZINC000595745697	552610121	/nfs/dbraw/zinc/61/01/21/552610121.db2.gz	ZJIFRMYVGZATQA-JFIYKMOQSA-N	1	0	354.454	1.922	20	30		FDEDRO
C[C@]12COC[C@@H]1C[N@H+](CC(=O)N1CCN([C@@H](C#N)c3cccs3)CC1)C2	ZINC000595759043	552611877	/nfs/dbraw/zinc/61/18/77/552611877.db2.gz	OTCYFCBZNRAQOB-BXWFABGCSA-N	1	0	374.510	1.425	20	30		FDEDRO
N#Cc1cccc(C2([NH2+]C[C@@H](O)COC3CCOCC3)CCOCC2)c1	ZINC000595765953	552612979	/nfs/dbraw/zinc/61/29/79/552612979.db2.gz	XJOSVTNLKFEYRU-GOSISDBHSA-N	1	0	360.454	1.710	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[N@H+](CCN2CCOCC2)CC2CC2)cc1	ZINC000595809499	552618459	/nfs/dbraw/zinc/61/84/59/552618459.db2.gz	RVGCNUJMAXEIJA-UHFFFAOYSA-N	1	0	356.470	1.931	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC[C@H]3COC[C@H]3C2)CC1	ZINC000595833855	552621476	/nfs/dbraw/zinc/62/14/76/552621476.db2.gz	SHXUUHSIZKLILQ-GVDBMIGSSA-N	1	0	374.510	1.425	20	30		FDEDRO
CCOC(=O)CC1([NH2+]CCC(=O)Nc2ccccc2C#N)CCOCC1	ZINC000595877995	552627465	/nfs/dbraw/zinc/62/74/65/552627465.db2.gz	OHHPUVPGHRCOFX-UHFFFAOYSA-N	1	0	359.426	1.979	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN([C@@H]2CCN(c3sccc3C#N)C2=O)CCO1	ZINC000595906254	552631699	/nfs/dbraw/zinc/63/16/99/552631699.db2.gz	IEYXRHBRVRACLQ-HZPDHXFCSA-N	1	0	362.499	1.768	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1	ZINC000595909182	552631986	/nfs/dbraw/zinc/63/19/86/552631986.db2.gz	QCDQIAASVAJECK-UHFFFAOYSA-N	1	0	374.489	1.068	20	30		FDEDRO
C=CC[C@]1(C(=O)Nc2nnc(SCC(=O)OCC)s2)CCC[NH2+]1	ZINC000595931737	552635119	/nfs/dbraw/zinc/63/51/19/552635119.db2.gz	WUKLBGKDCJXNIX-CQSZACIVSA-N	1	0	356.473	1.830	20	30		FDEDRO
CCc1nc(C#N)cc(NCc2ccc(N3CC[NH+](CC)CC3)nc2)n1	ZINC000596078660	552653040	/nfs/dbraw/zinc/65/30/40/552653040.db2.gz	XHNZAODHDVDDBS-UHFFFAOYSA-N	1	0	351.458	2.060	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)N[C@]2(C)CC[NH2+]C2)c(C#N)cn1CCOC	ZINC000596123964	552657885	/nfs/dbraw/zinc/65/78/85/552657885.db2.gz	UJSZMAFCXRVLHH-QGZVFWFLSA-N	1	0	363.418	1.056	20	30		FDEDRO
C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NC2CCN(CC#N)CC2)C1	ZINC000596274786	552670033	/nfs/dbraw/zinc/67/00/33/552670033.db2.gz	FZSVGDGRRUBVFA-HXUWFJFHSA-N	1	0	369.513	1.933	20	30		FDEDRO
COC(=O)c1ccc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c(C#N)n1	ZINC000596422854	552677710	/nfs/dbraw/zinc/67/77/10/552677710.db2.gz	IBUFSIUVKGPOME-INIZCTEOSA-N	1	0	366.421	1.919	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1	ZINC000596571022	552690246	/nfs/dbraw/zinc/69/02/46/552690246.db2.gz	XIYVMBITCZLKGD-INIZCTEOSA-N	1	0	370.453	1.744	20	30		FDEDRO
CN1CC[NH+](CCC(C)(C)NC(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000596674321	552699968	/nfs/dbraw/zinc/69/99/68/552699968.db2.gz	YJMOZEMWCDUOMC-UHFFFAOYSA-N	1	0	357.502	1.816	20	30		FDEDRO
C[C@H](CCNC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1)[NH+](C)C	ZINC000596877452	552720559	/nfs/dbraw/zinc/72/05/59/552720559.db2.gz	SPXHHPQAZOSKSE-OLZOCXBDSA-N	1	0	352.460	1.834	20	30		FDEDRO
C[NH+](C)CCNC(=O)C1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)CC1	ZINC000597234216	552764011	/nfs/dbraw/zinc/76/40/11/552764011.db2.gz	IIKBHHNRXKFDFA-UHFFFAOYSA-N	1	0	364.396	1.366	20	30		FDEDRO
C[C@H](C#N)CN(C)c1nnc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1C[C@@H]1CCCO1	ZINC000597337406	552776728	/nfs/dbraw/zinc/77/67/28/552776728.db2.gz	LDCCRJHJNMNKIC-NCOADZHNSA-N	1	0	374.489	1.589	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@H]3CC34CC[NH2+]CC4)CC2)c(F)c1	ZINC000597440867	552789810	/nfs/dbraw/zinc/78/98/10/552789810.db2.gz	NXYJXFVWCBJBDH-KRWDZBQOSA-N	1	0	357.433	1.671	20	30		FDEDRO
COCCN(CCC#N)c1nnc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1CC1CC1	ZINC000597449720	552790903	/nfs/dbraw/zinc/79/09/03/552790903.db2.gz	CMGJKUWYGFPYJP-SJORKVTESA-N	1	0	374.489	1.590	20	30		FDEDRO
CC(C)C[C@H](NC(=O)c1ccc(C#N)n1C)C(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000597692919	552822701	/nfs/dbraw/zinc/82/27/01/552822701.db2.gz	QWNIGVTYPIDYLV-CVEARBPZSA-N	1	0	359.474	1.204	20	30		FDEDRO
CC(C)C[C@H](NC(=O)c1cscc1C#N)C(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000597693321	552822793	/nfs/dbraw/zinc/82/27/93/552822793.db2.gz	VVKZBGSVXPPRKT-HOCLYGCPSA-N	1	0	362.499	1.927	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1	ZINC000598221452	552876187	/nfs/dbraw/zinc/87/61/87/552876187.db2.gz	VKJWGGGOGSVTNX-KRWDZBQOSA-N	1	0	354.454	1.811	20	30		FDEDRO
CCOC(=O)C1CCN(C(=O)C[N@H+](C)C[C@@H](O)CC(C)(C)C#N)CC1	ZINC000598590345	552912271	/nfs/dbraw/zinc/91/22/71/552912271.db2.gz	QGROBBMMJQPVRG-HNNXBMFYSA-N	1	0	353.463	1.021	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC(C)(C)CC[C@@H]2CO)CC1	ZINC000598645988	552919709	/nfs/dbraw/zinc/91/97/09/552919709.db2.gz	BISBWOHVRDYFBJ-SJORKVTESA-N	1	0	350.507	1.162	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[NH2+]CCCNS(=O)(=O)c1ccccc1Cl	ZINC000598723642	552928173	/nfs/dbraw/zinc/92/81/73/552928173.db2.gz	JDQYIJALGLKSJK-CYBMUJFWSA-N	1	0	373.906	1.899	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1	ZINC000598727234	552928495	/nfs/dbraw/zinc/92/84/95/552928495.db2.gz	VTKJUZGBZROGOG-HZMBPMFUSA-N	1	0	370.272	1.823	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1	ZINC000598727399	552928551	/nfs/dbraw/zinc/92/85/51/552928551.db2.gz	WVNIXEFRRKPLGA-SNVBAGLBSA-N	1	0	365.908	1.570	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+][C@@H]3CCN(c4ccc5nncn5n4)C3)n2c1	ZINC000598991319	552955040	/nfs/dbraw/zinc/95/50/40/552955040.db2.gz	NRVGSCXCNQYKQK-CQSZACIVSA-N	1	0	359.397	1.012	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCc2c(CC#N)cccc2C1	ZINC000598998402	552956196	/nfs/dbraw/zinc/95/61/96/552956196.db2.gz	GRSJLWQEMHLBEM-INIZCTEOSA-N	1	0	355.486	1.456	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)s1	ZINC000599099364	552967507	/nfs/dbraw/zinc/96/75/07/552967507.db2.gz	BXJNRVHDBKCGJZ-PSASIEDQSA-N	1	0	353.391	1.768	20	30		FDEDRO
COC(=O)[C@@H]1CSCC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000599436310	553055904	/nfs/dbraw/zinc/05/59/04/553055904.db2.gz	IEKFGMFEXQUVAH-AWEZNQCLSA-N	1	0	372.446	1.124	20	30		FDEDRO
N#CCN1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)CC1	ZINC000599538775	553082955	/nfs/dbraw/zinc/08/29/55/553082955.db2.gz	XZJAENGLHAUNSJ-VQTJNVASSA-N	1	0	352.482	1.812	20	30		FDEDRO
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC(C)([NH+]2CCOCC2)CC1	ZINC000599621535	553106084	/nfs/dbraw/zinc/10/60/84/553106084.db2.gz	DXKZGIBDYDPGPW-GOSISDBHSA-N	1	0	357.454	1.959	20	30		FDEDRO
COC(=O)[C@@H]1CC[N@H+](CC(=O)NCc2cccc(C#N)c2)[C@@H]2CCC[C@H]21	ZINC000599661191	553115678	/nfs/dbraw/zinc/11/56/78/553115678.db2.gz	SSAGGJDOFLZLCL-RCCFBDPRSA-N	1	0	355.438	1.838	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)CN1CCC(CC)([NH+]2CCOCC2)CC1	ZINC000599670685	553118238	/nfs/dbraw/zinc/11/82/38/553118238.db2.gz	YLRNCEVWVHIDRH-QGZVFWFLSA-N	1	0	350.507	1.571	20	30		FDEDRO
CNS(=O)(=O)C[C@@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)C1	ZINC000599692962	553123506	/nfs/dbraw/zinc/12/35/06/553123506.db2.gz	MAUAPMHBSOMDNQ-MRXNPFEDSA-N	1	0	351.472	1.588	20	30		FDEDRO
COc1cc(NC(=O)N2C[C@H](C)N(CCO)C[C@@H]2C)c(F)cc1C#N	ZINC000599808650	553153305	/nfs/dbraw/zinc/15/33/05/553153305.db2.gz	QALFKTCHNYQMHB-RYUDHWBXSA-N	1	0	350.394	1.625	20	30		FDEDRO
COc1cc(NC(=O)NCCC[N@H+](C)CCN(C)C)c(F)cc1C#N	ZINC000599812853	553154343	/nfs/dbraw/zinc/15/43/43/553154343.db2.gz	TUSUCVWCIHVQGV-UHFFFAOYSA-N	1	0	351.426	1.711	20	30		FDEDRO
C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C[NH2+]1	ZINC000599895174	553169985	/nfs/dbraw/zinc/16/99/85/553169985.db2.gz	CWPNOMFPFHPMLB-BXKDBHETSA-N	1	0	370.331	1.652	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c(F)c1	ZINC000599899931	553170941	/nfs/dbraw/zinc/17/09/41/553170941.db2.gz	NIRFEBPEPMYSEF-GHMZBOCLSA-N	1	0	372.322	1.622	20	30		FDEDRO
CC(C)(C)c1csc(NC(=O)C(=O)NCCOCCC[NH3+])c1C#N	ZINC000599900278	553170944	/nfs/dbraw/zinc/17/09/44/553170944.db2.gz	NXXMUHQEJLNRMR-UHFFFAOYSA-N	1	0	352.460	1.337	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NCC2([NH3+])CCOCC2)cc1C(F)(F)F	ZINC000599899145	553170991	/nfs/dbraw/zinc/17/09/91/553170991.db2.gz	IIJYELJOAAKGFR-UHFFFAOYSA-N	1	0	370.331	1.140	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2	ZINC000599958762	553185960	/nfs/dbraw/zinc/18/59/60/553185960.db2.gz	KGVBKWWCPUIPJK-QGZVFWFLSA-N	1	0	354.454	1.696	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1	ZINC000600048299	553208314	/nfs/dbraw/zinc/20/83/14/553208314.db2.gz	RYHBVJICFCMKBJ-UHFFFAOYSA-N	1	0	370.453	1.519	20	30		FDEDRO
CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC1	ZINC000600049909	553208421	/nfs/dbraw/zinc/20/84/21/553208421.db2.gz	AEYVPXAGCXQXAG-UHFFFAOYSA-N	1	0	356.426	1.210	20	30		FDEDRO
N#Cc1ccc(CC(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cn1	ZINC000600091681	553216791	/nfs/dbraw/zinc/21/67/91/553216791.db2.gz	IGZHLXGUEMDGQY-LJQANCHMSA-N	1	0	350.422	1.379	20	30		FDEDRO
C[N@@H+]1CCCC[C@H](CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000600313433	553247711	/nfs/dbraw/zinc/24/77/11/553247711.db2.gz	WZGYNSJJECMCKV-CQSZACIVSA-N	1	0	352.442	1.788	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]CCS(=O)(=O)c2ccccc2)CCOCC1	ZINC000600723570	553307706	/nfs/dbraw/zinc/30/77/06/553307706.db2.gz	XKHHBDKXXYFGJW-HNNXBMFYSA-N	1	0	352.456	1.121	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2=O)CCOCC1	ZINC000600736761	553309197	/nfs/dbraw/zinc/30/91/97/553309197.db2.gz	QSXOMAFNMLXUAF-DLBZAZTESA-N	1	0	361.417	1.592	20	30		FDEDRO
Cc1cccc2c1C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)CO2	ZINC000600746585	553310149	/nfs/dbraw/zinc/31/01/49/553310149.db2.gz	IRPBTAVSJUWXTE-OAHLLOKOSA-N	1	0	357.435	1.629	20	30		FDEDRO
Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@H](O)COc1ccccc1C#N	ZINC000600746767	553310565	/nfs/dbraw/zinc/31/05/65/553310565.db2.gz	LUSXLTBUFVSSPR-LBPRGKRZSA-N	1	0	354.332	1.840	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]Cc1cnc(C(F)(F)F)nc1	ZINC000600749763	553310934	/nfs/dbraw/zinc/31/09/34/553310934.db2.gz	RLMHYDCNITZSIF-CYBMUJFWSA-N	1	0	352.316	1.897	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]C[C@@H](CO)Cc2ccncc2Cl)CCOCC1	ZINC000600749663	553311014	/nfs/dbraw/zinc/31/10/14/553311014.db2.gz	QULWQWPKXDWPCC-HOCLYGCPSA-N	1	0	367.877	1.547	20	30		FDEDRO
CC1(C)Oc2ccsc2[C@@H]([NH2+]C[C@H](O)CC2(C#N)CCOCC2)[C@@H]1O	ZINC000600750440	553311057	/nfs/dbraw/zinc/31/10/57/553311057.db2.gz	WJFBKFXOEMHNDR-XPKDYRNWSA-N	1	0	366.483	1.982	20	30		FDEDRO
CN1C(=O)c2ccccc2[C@H]1C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1	ZINC000600754761	553311688	/nfs/dbraw/zinc/31/16/88/553311688.db2.gz	HZROLPSCHOMDBP-DNVCBOLYSA-N	1	0	351.406	1.714	20	30		FDEDRO
Cc1cc(C#N)cc(N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)n1	ZINC000601135130	553351304	/nfs/dbraw/zinc/35/13/04/553351304.db2.gz	MCTTVGUSVFLUDX-SFHVURJKSA-N	1	0	351.454	1.963	20	30		FDEDRO
C[NH+](C)CCCS(=O)(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000601337061	553378744	/nfs/dbraw/zinc/37/87/44/553378744.db2.gz	VDKNCDBPORBAKS-UHFFFAOYSA-N	1	0	351.472	1.683	20	30		FDEDRO
C[NH+](C)C1CCN(CCNS(=O)(=O)c2ccccc2CC#N)CC1	ZINC000601365241	553386110	/nfs/dbraw/zinc/38/61/10/553386110.db2.gz	RNLMHVLXBJUPRB-UHFFFAOYSA-N	1	0	350.488	1.057	20	30		FDEDRO
C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccccc1CC#N	ZINC000601397644	553393925	/nfs/dbraw/zinc/39/39/25/553393925.db2.gz	QOLOCCCJYIQVBN-OAHLLOKOSA-N	1	0	350.488	1.057	20	30		FDEDRO
C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccccc1CC#N	ZINC000601397643	553393986	/nfs/dbraw/zinc/39/39/86/553393986.db2.gz	QOLOCCCJYIQVBN-HNNXBMFYSA-N	1	0	350.488	1.057	20	30		FDEDRO
Cc1cc(S(=O)(=O)N2CCC([N@@H+]3CCCOCC3)CC2)ccc1C#N	ZINC000601440848	553406672	/nfs/dbraw/zinc/40/66/72/553406672.db2.gz	ZEILPRBWUFRNQH-UHFFFAOYSA-N	1	0	363.483	1.742	20	30		FDEDRO
Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000601469824	553414304	/nfs/dbraw/zinc/41/43/04/553414304.db2.gz	VTOUXBNCZNHUAD-MRXNPFEDSA-N	1	0	369.462	1.737	20	30		FDEDRO
C[NH+](C)CCCS(=O)(=O)NC1(c2ccc(C#N)cc2)CCOCC1	ZINC000601475231	553415916	/nfs/dbraw/zinc/41/59/16/553415916.db2.gz	WSDJDSODQJETKL-UHFFFAOYSA-N	1	0	351.472	1.435	20	30		FDEDRO
N#CCCN1CCN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000601600616	553443348	/nfs/dbraw/zinc/44/33/48/553443348.db2.gz	GCVZSLNYWZGDNF-IBGZPJMESA-N	1	0	355.486	1.749	20	30		FDEDRO
N#CCNC(=O)CNC(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1	ZINC000601633494	553449047	/nfs/dbraw/zinc/44/90/47/553449047.db2.gz	OCPAVIFYFALDPM-KRWDZBQOSA-N	1	0	357.458	1.370	20	30		FDEDRO
C[C@](O)(C[C@@H](O)C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1CC1	ZINC000601967169	553496799	/nfs/dbraw/zinc/49/67/99/553496799.db2.gz	UHVZUAQEBVTJMV-HBFSDRIKSA-N	1	0	357.454	1.555	20	30		FDEDRO
COC(=O)c1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1C	ZINC000602015599	553501649	/nfs/dbraw/zinc/50/16/49/553501649.db2.gz	NUGCGQJEMQACIY-QGZVFWFLSA-N	1	0	366.421	1.969	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCCS(=O)(=O)CC3)C2=O)cc1	ZINC000602014181	553501705	/nfs/dbraw/zinc/50/17/05/553501705.db2.gz	CCSQNLYCAWDTCP-RDJZCZTQSA-N	1	0	361.467	1.611	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCCS(=O)(=O)CC3)C2=O)cc1	ZINC000602016218	553501763	/nfs/dbraw/zinc/50/17/63/553501763.db2.gz	DIKNVAXJFSUIIB-SJORKVTESA-N	1	0	361.467	1.216	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cc(F)cc(C#N)c1)Cc1ccccc1	ZINC000602020757	553502415	/nfs/dbraw/zinc/50/24/15/553502415.db2.gz	UVZKFWKRMZUCSZ-SFHVURJKSA-N	1	0	368.412	1.925	20	30		FDEDRO
Cn1cc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c([N+](=O)[O-])n1	ZINC000602430105	553579829	/nfs/dbraw/zinc/57/98/29/553579829.db2.gz	KUYKAURUOREJRD-UHFFFAOYSA-N	1	0	354.414	1.908	20	30		FDEDRO
CNS(=O)(=O)c1ccccc1N1CC[NH+](C[C@H](C)CCC#N)CC1	ZINC000602457408	553585679	/nfs/dbraw/zinc/58/56/79/553585679.db2.gz	BIIIXEZUEFYBQC-OAHLLOKOSA-N	1	0	350.488	1.657	20	30		FDEDRO
C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000602628538	553614540	/nfs/dbraw/zinc/61/45/40/553614540.db2.gz	BEIBFGVNQXMVMD-FHLIZLRMSA-N	1	0	354.454	1.696	20	30		FDEDRO
N#CCc1ccc(NC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)cc1	ZINC000602776411	553635591	/nfs/dbraw/zinc/63/55/91/553635591.db2.gz	PYEZBPZCBARWGI-IBGZPJMESA-N	1	0	371.485	1.671	20	30		FDEDRO
C[C@@]1(CO)C[C@H](O)CN1CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000602905446	553665807	/nfs/dbraw/zinc/66/58/07/553665807.db2.gz	GEKOIGYPDHGXKI-RDJZCZTQSA-N	1	0	351.834	1.404	20	30		FDEDRO
C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C[C@@H](O)COc1ccc(C#N)cc1	ZINC000602912841	553667658	/nfs/dbraw/zinc/66/76/58/553667658.db2.gz	LOAMFJWHPBXCLL-RTBURBONSA-N	1	0	373.497	1.873	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[NH+]2CCN(CCc3cnccn3)CC2)cc1	ZINC000602998759	553688613	/nfs/dbraw/zinc/68/86/13/553688613.db2.gz	KPBZVOWEDPQCNJ-UHFFFAOYSA-N	1	0	364.453	1.537	20	30		FDEDRO
N#CCc1cccc(NC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)c1	ZINC000603033567	553698434	/nfs/dbraw/zinc/69/84/34/553698434.db2.gz	KGRXJOFUHIJQRY-LJQANCHMSA-N	1	0	371.485	1.671	20	30		FDEDRO
Cc1cc(NC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)ncc1C#N	ZINC000603115654	553711598	/nfs/dbraw/zinc/71/15/98/553711598.db2.gz	FEDYNOKXIODXQV-UHFFFAOYSA-N	1	0	356.474	1.753	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)Cn2cc(C[NH2+]C3CC3)nn2)cc1	ZINC000603171452	553721219	/nfs/dbraw/zinc/72/12/19/553721219.db2.gz	DZIRQGLWEGKRPP-UHFFFAOYSA-N	1	0	368.441	1.876	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)Cn2cc([C@H](C)[NH2+]C)nn2)cc1	ZINC000603173065	553721568	/nfs/dbraw/zinc/72/15/68/553721568.db2.gz	LBUFPWHUTPZBGF-AWEZNQCLSA-N	1	0	356.430	1.904	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)Cn2cc(COc3ccccc3C#N)nn2)CC1	ZINC000603180001	553723751	/nfs/dbraw/zinc/72/37/51/553723751.db2.gz	CAETXPGCVOETOM-UHFFFAOYSA-N	1	0	368.441	1.329	20	30		FDEDRO
N#Cc1cccc(OCCCn2cc(CCN3CCC([NH3+])CC3)nn2)c1	ZINC000603243143	553740902	/nfs/dbraw/zinc/74/09/02/553740902.db2.gz	SHDGAFUBPBCRJE-UHFFFAOYSA-N	1	0	354.458	1.584	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(c3ccc(C#N)cc3COCCOC)C2)CC1	ZINC000603292516	553756871	/nfs/dbraw/zinc/75/68/71/553756871.db2.gz	RPKFMBZJNJGYHA-FQEVSTJZSA-N	1	0	372.513	1.937	20	30		FDEDRO
C[NH+](C)CC1(CNc2ccc(C#N)cc2CS(N)(=O)=O)CCCC1	ZINC000603338227	553766446	/nfs/dbraw/zinc/76/64/46/553766446.db2.gz	GPNLZJDIXGUYOY-UHFFFAOYSA-N	1	0	350.488	1.881	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)Cn2c(C(F)(F)F)ccc(C#N)c2=O)CC1	ZINC000603375691	553775169	/nfs/dbraw/zinc/77/51/69/553775169.db2.gz	FMNPSGNBIQZVPJ-UHFFFAOYSA-N	1	0	370.375	1.728	20	30		FDEDRO
C[N@@H+]1CCCN(CCCNS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1	ZINC000603402460	553780315	/nfs/dbraw/zinc/78/03/15/553780315.db2.gz	JRQGYTVCJYPICC-UHFFFAOYSA-N	1	0	370.906	1.518	20	30		FDEDRO
CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)c1cc(C#N)cnn1	ZINC000603401431	553780435	/nfs/dbraw/zinc/78/04/35/553780435.db2.gz	LDSMZJBZGYCTML-UHFFFAOYSA-N	1	0	364.409	1.012	20	30		FDEDRO
N#Cc1cc2c(nc1N[C@@H]1CCC[N@H+](CCN3CCOCC3)C1)CCC2	ZINC000603423965	553784608	/nfs/dbraw/zinc/78/46/08/553784608.db2.gz	SJGBOHXDHXSKBC-GOSISDBHSA-N	1	0	355.486	1.650	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CCCN(c3cncc(-n4cncn4)n3)CC2)cc1	ZINC000604482297	553880482	/nfs/dbraw/zinc/88/04/82/553880482.db2.gz	FPOYYSDXVRLVAD-UHFFFAOYSA-N	1	0	360.425	1.641	20	30		FDEDRO
N#Cc1ccc(CNC(=O)CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1	ZINC000604501262	553882210	/nfs/dbraw/zinc/88/22/10/553882210.db2.gz	SYXHULMBFKURQB-IBGZPJMESA-N	1	0	356.470	1.361	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NCCC[NH+]3CCC(O)CC3)cc2C1=O	ZINC000605543922	553999307	/nfs/dbraw/zinc/99/93/07/553999307.db2.gz	DMYWTGLDLRKRQI-UHFFFAOYSA-N	1	0	371.437	1.045	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCC[NH+](CC)CC)cc1	ZINC000606093653	554043033	/nfs/dbraw/zinc/04/30/33/554043033.db2.gz	SVPIKFFUJFFRSF-UHFFFAOYSA-N	1	0	361.446	1.391	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)nc1	ZINC000608991480	554333312	/nfs/dbraw/zinc/33/33/12/554333312.db2.gz	GMGUVQHFLAMLOQ-ROUUACIJSA-N	1	0	368.485	1.848	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC000609077566	554335887	/nfs/dbraw/zinc/33/58/87/554335887.db2.gz	FFOQKJZKWFFLRF-GOEBONIOSA-N	1	0	358.442	1.029	20	30		FDEDRO
C[NH+](C)CCn1cc(NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)cn1	ZINC000609100834	554337148	/nfs/dbraw/zinc/33/71/48/554337148.db2.gz	XUSMZVYHMWCHMG-GOSISDBHSA-N	1	0	352.442	1.924	20	30		FDEDRO
C[C@@H]1COCCN1CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000609213495	554350463	/nfs/dbraw/zinc/35/04/63/554350463.db2.gz	PURSLHWARNYEOD-QGZVFWFLSA-N	1	0	373.501	1.352	20	30		FDEDRO
CCC(CC)[C@@H](CNC(=O)NC1CCN(CC#N)CC1)[NH+]1CCOCC1	ZINC000609336790	554367646	/nfs/dbraw/zinc/36/76/46/554367646.db2.gz	KPEFHDLJPFQPFP-GOSISDBHSA-N	1	0	365.522	1.411	20	30		FDEDRO
N#CCN1CCC(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1	ZINC000609340003	554369217	/nfs/dbraw/zinc/36/92/17/554369217.db2.gz	YBWPHIRMPFYZMR-UHFFFAOYSA-N	1	0	363.506	1.309	20	30		FDEDRO
CN(C(=O)CSCC(=O)NC1(C#N)CC[NH+](C)CC1)C1CCCCC1	ZINC000609460117	554379109	/nfs/dbraw/zinc/37/91/09/554379109.db2.gz	WMQHTITTZOOYKX-UHFFFAOYSA-N	1	0	366.531	1.615	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCc3ccc(C#N)cc3F)CC2)C1	ZINC000609685930	554411505	/nfs/dbraw/zinc/41/15/05/554411505.db2.gz	ATAZYNXCAIPXMM-KRWDZBQOSA-N	1	0	359.449	1.619	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)NCCC[NH+]2CCC(O)CC2)cc1	ZINC000609883315	554433557	/nfs/dbraw/zinc/43/35/57/554433557.db2.gz	IGRREBWQTDZBRE-LJQANCHMSA-N	1	0	356.470	1.490	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc([S@](C)=O)c2)CC1	ZINC000609944580	554441365	/nfs/dbraw/zinc/44/13/65/554441365.db2.gz	QBBWSYIUPUJMJR-VWLOTQADSA-N	1	0	363.483	1.519	20	30		FDEDRO
Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC1CCN(CC#N)CC1	ZINC000610508704	554520397	/nfs/dbraw/zinc/52/03/97/554520397.db2.gz	JIPNDZBSYDTGMU-UHFFFAOYSA-N	1	0	357.458	1.099	20	30		FDEDRO
CC(C)(O)C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)C1CCOCC1	ZINC000611089604	554604004	/nfs/dbraw/zinc/60/40/04/554604004.db2.gz	SIYKSRGHYXCOHZ-UHFFFAOYSA-N	1	0	366.483	1.584	20	30		FDEDRO
N#Cc1ccccc1OC1CCC(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1	ZINC000611205683	554615131	/nfs/dbraw/zinc/61/51/31/554615131.db2.gz	RXLCFMQRWAIUJR-ACBHZAAOSA-N	1	0	368.481	1.754	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@](C)(CO)c2ccccc2)CC1	ZINC000611371748	554629124	/nfs/dbraw/zinc/62/91/24/554629124.db2.gz	YMEFNRJVVIJGTH-QUCCMNQESA-N	1	0	358.486	1.176	20	30		FDEDRO
COC[C@@H]1CCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000611430024	554632736	/nfs/dbraw/zinc/63/27/36/554632736.db2.gz	QNRSQZYOPSNRKJ-HOTGVXAUSA-N	1	0	362.499	1.568	20	30		FDEDRO
Cc1cc(=NC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)[nH]n1CCC#N	ZINC000611481447	554636760	/nfs/dbraw/zinc/63/67/60/554636760.db2.gz	OYSZYKOYIKNNQW-UHFFFAOYSA-N	1	0	373.505	1.597	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)no1	ZINC000611505007	554638801	/nfs/dbraw/zinc/63/88/01/554638801.db2.gz	LUCCPZFMDUBFCH-UHFFFAOYSA-N	1	0	367.409	1.596	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000611679983	554664290	/nfs/dbraw/zinc/66/42/90/554664290.db2.gz	FUANLYVCTKGZKL-AZUAARDMSA-N	1	0	359.470	1.211	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@@H](C)c3cnccc3C)CC2)o1	ZINC000611938780	554705724	/nfs/dbraw/zinc/70/57/24/554705724.db2.gz	ILLHAOYFDRJDMB-AWEZNQCLSA-N	1	0	368.441	1.558	20	30		FDEDRO
CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]C2CCN(CC#N)CC2)C1	ZINC000611980320	554712944	/nfs/dbraw/zinc/71/29/44/554712944.db2.gz	PNJMTDJTGPIUKZ-UHFFFAOYSA-N	1	0	365.474	1.616	20	30		FDEDRO
CCO[C@@H]1C[C@@](CO)([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1(C)C	ZINC000614926324	555138569	/nfs/dbraw/zinc/13/85/69/555138569.db2.gz	GSGMKTJWPNJRCR-POAQFYNOSA-N	1	0	362.470	1.648	20	30		FDEDRO
C=C[C@@H](O)C(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1	ZINC000615952207	555258450	/nfs/dbraw/zinc/25/84/50/555258450.db2.gz	FSQGJHDCSSTIPW-GOSISDBHSA-N	1	0	359.470	1.021	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cccc(CC#N)c1	ZINC000619492638	555787885	/nfs/dbraw/zinc/78/78/85/555787885.db2.gz	ADBFKFQLTOKGRT-BPQIPLTHSA-N	1	0	363.483	1.625	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C[C@]2(CCCOC2)O1	ZINC000619517031	555793567	/nfs/dbraw/zinc/79/35/67/555793567.db2.gz	BMNJRNQVBMMLKL-KPFFTGBYSA-N	1	0	360.454	1.762	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)n1cnc(C#N)n1	ZINC000619588440	555804357	/nfs/dbraw/zinc/80/43/57/555804357.db2.gz	SOVNYZVFLZXHDV-AWEZNQCLSA-N	1	0	353.430	1.097	20	30		FDEDRO
C=CCCOCC(=O)N1CCC(CC(=O)N2CCC([NH+](C)C)CC2)CC1	ZINC000620721782	555966050	/nfs/dbraw/zinc/96/60/50/555966050.db2.gz	CNPGKMCQKIXKJQ-UHFFFAOYSA-N	1	0	365.518	1.760	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@H](C)[C@@H](CO)C1)C(C)C	ZINC000621748999	556148086	/nfs/dbraw/zinc/14/80/86/556148086.db2.gz	PTYKQAJGJARTND-RCCFBDPRSA-N	1	0	365.518	1.278	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c1	ZINC000624566926	556607168	/nfs/dbraw/zinc/60/71/68/556607168.db2.gz	RGFWSVDQVVQDFZ-MRXNPFEDSA-N	1	0	365.499	1.754	20	30		FDEDRO
C=CCn1c(-c2cn[nH]c2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000624843734	556653321	/nfs/dbraw/zinc/65/33/21/556653321.db2.gz	BPDANCXKCHENIJ-HNNXBMFYSA-N	1	0	357.462	1.403	20	30		FDEDRO
C=CCn1c(-c2cn[nH]c2)nnc1N1CCC(CC)([NH+]2CCOCC2)CC1	ZINC000624848420	556654676	/nfs/dbraw/zinc/65/46/76/556654676.db2.gz	BARCMQZOJDAGLG-UHFFFAOYSA-N	1	0	371.489	1.935	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cnc3cc(OC)cc(OC)c3c2O)CC1	ZINC000625321739	556774616	/nfs/dbraw/zinc/77/46/16/556774616.db2.gz	NSUVVBSZQZXQGP-UHFFFAOYSA-N	1	0	371.437	1.926	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1	ZINC000625795604	556928224	/nfs/dbraw/zinc/92/82/24/556928224.db2.gz	XEMLTZMYIDADCX-MRXNPFEDSA-N	1	0	353.260	1.561	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000627120305	557280583	/nfs/dbraw/zinc/28/05/83/557280583.db2.gz	ATALEQFDLNVQJM-HOTGVXAUSA-N	1	0	350.507	1.879	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1	ZINC000629806220	557839865	/nfs/dbraw/zinc/83/98/65/557839865.db2.gz	SNKGUTCAAQTDPI-HZSPNIEDSA-N	1	0	361.408	1.787	20	30		FDEDRO
C=CCN(Cc1cccs1)S(=O)(=O)CCCN1CC[NH+](C)CC1	ZINC000631696626	558029572	/nfs/dbraw/zinc/02/95/72/558029572.db2.gz	SLLAQHJSSAIFNT-UHFFFAOYSA-N	1	0	357.545	1.703	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)c1	ZINC000632369011	558141522	/nfs/dbraw/zinc/14/15/22/558141522.db2.gz	MCWATUQGLLLPEF-XJKSGUPXSA-N	1	0	351.472	1.316	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000633075714	558253283	/nfs/dbraw/zinc/25/32/83/558253283.db2.gz	ARUUTBZTBWTJRC-TXEJJXNPSA-N	1	0	353.875	1.879	20	30		FDEDRO
C=C(C)COc1cccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](OCC)C2)c1	ZINC000652636666	567848480	/nfs/dbraw/zinc/84/84/80/567848480.db2.gz	UIZCEZGSTOJFGS-RHSMWYFYSA-N	1	0	361.442	1.402	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(S(=O)(=O)c2ccc(C#N)c(C)c2)CC1	ZINC000481476970	567976180	/nfs/dbraw/zinc/97/61/80/567976180.db2.gz	JCOYYHXZSJGNBE-UHFFFAOYSA-N	1	0	372.450	1.781	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)CCCO1	ZINC000291201950	568075857	/nfs/dbraw/zinc/07/58/57/568075857.db2.gz	GVPRGZKWIFQCKT-ZDUSSCGKSA-N	1	0	362.405	1.253	20	30		FDEDRO
CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@]1(C)CCOC1	ZINC000330278131	568095038	/nfs/dbraw/zinc/09/50/38/568095038.db2.gz	PFPTXLWDZGKNMT-WOJBJXKFSA-N	1	0	361.486	1.896	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC000636833564	568124065	/nfs/dbraw/zinc/12/40/65/568124065.db2.gz	PVKPTDYRGCVPNG-IRXDYDNUSA-N	1	0	365.518	1.589	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)CCN1C1CC1	ZINC000365241635	568350819	/nfs/dbraw/zinc/35/08/19/568350819.db2.gz	RRGQBYXNMUVQPF-LJQANCHMSA-N	1	0	353.470	1.426	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@H](C)Oc1ccccc1-c1nn[nH]n1	ZINC000735374479	598295290	/nfs/dbraw/zinc/29/52/90/598295290.db2.gz	JHLYNJZQVWSLGQ-UONOGXRCSA-N	1	0	355.398	1.275	20	30		FDEDRO
N#CCC[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1	ZINC000826381536	607708252	/nfs/dbraw/zinc/70/82/52/607708252.db2.gz	PLAWEEMLQKWRFZ-CJNGLKHVSA-N	1	0	363.429	1.740	20	30		FDEDRO
C[NH+](C)CCCNS(=O)(=O)c1ccc(NCCCC#N)c([N+](=O)[O-])c1	ZINC000273348137	674529646	/nfs/dbraw/zinc/52/96/46/674529646.db2.gz	OSXJYZDAPWTZRG-UHFFFAOYSA-N	1	0	369.447	1.540	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1cc(-c2nn[nH]n2)ccc1F	ZINC000825938122	608034493	/nfs/dbraw/zinc/03/44/93/608034493.db2.gz	PEAKUWHEMYQSRM-UHFFFAOYSA-N	1	0	355.381	1.247	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1cccc(-c2nn[nH]n2)c1F	ZINC000825937673	608414935	/nfs/dbraw/zinc/41/49/35/608414935.db2.gz	HKRFFPDSRDUKRR-UHFFFAOYSA-N	1	0	355.381	1.247	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccc(-c2nn[nH]n2)cc1	ZINC000824563469	608463533	/nfs/dbraw/zinc/46/35/33/608463533.db2.gz	PBDJEDXEACXJSF-CYBMUJFWSA-N	1	0	361.409	1.705	20	30		FDEDRO
C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(-c2nn[nH]n2)c(F)c1	ZINC000824598768	609150917	/nfs/dbraw/zinc/15/09/17/609150917.db2.gz	ILRZUFJKQAYSSW-IJCFTNORSA-N	1	0	371.376	1.183	20	30		FDEDRO
N#CCC1CC[NH+]([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1	ZINC000826380863	609428967	/nfs/dbraw/zinc/42/89/67/609428967.db2.gz	ORVPXVMSRMOFGK-QGZVFWFLSA-N	1	0	365.441	1.988	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2cccnc2C#N)C[C@@H]1[NH+]1CCCC1	ZINC000277003111	674829983	/nfs/dbraw/zinc/82/99/83/674829983.db2.gz	IDLNDVGMCSXVGB-UONOGXRCSA-N	1	0	352.485	1.154	20	30		FDEDRO
[NH2+]=C(NC[C@@H](CO)Cc1ccccc1Br)N1CCOCC1	ZINC000277473977	674951092	/nfs/dbraw/zinc/95/10/92/674951092.db2.gz	SYHRODQTELZUKN-LBPRGKRZSA-N	1	0	356.264	1.247	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1	ZINC000277837104	675050404	/nfs/dbraw/zinc/05/04/04/675050404.db2.gz	RZIGWTGFRBNZPT-IIAWOOMASA-N	1	0	358.360	1.933	20	30		FDEDRO
C#CC[NH+]1CCC(c2nc(-c3cccc(S(=O)(=O)NC)c3)no2)CC1	ZINC000277837729	675050418	/nfs/dbraw/zinc/05/04/18/675050418.db2.gz	IOKHVKVSJXLWCS-UHFFFAOYSA-N	1	0	360.439	1.457	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1	ZINC000278649152	675167238	/nfs/dbraw/zinc/16/72/38/675167238.db2.gz	PQJAANJKNOSKBB-KBPBESRZSA-N	1	0	364.471	1.788	20	30		FDEDRO
N#CCCn1cc(C[NH2+]CCN2CCSCC2)c(-c2ccncc2)n1	ZINC000278703959	675182353	/nfs/dbraw/zinc/18/23/53/675182353.db2.gz	RDQWSPRGJWHBCW-UHFFFAOYSA-N	1	0	356.499	1.997	20	30		FDEDRO
C[NH+]=C(NCc1cn2cc(Cl)ccc2n1)N1CCC(C(=O)OC)CC1	ZINC000073629390	671402809	/nfs/dbraw/zinc/40/28/09/671402809.db2.gz	RQKGMAJKOVXSPO-UHFFFAOYSA-N	1	0	363.849	1.948	20	30		FDEDRO
CC(C)[NH+]=C(NCC(=O)N(C)C)N1CCN(c2cccc(Cl)c2)CC1	ZINC000074031709	671407249	/nfs/dbraw/zinc/40/72/49/671407249.db2.gz	LWYOGWNNQHZLHC-UHFFFAOYSA-N	1	0	365.909	1.904	20	30		FDEDRO
CCc1nc(CNC(=[NH+]C)N2CCN(C(=O)[C@H]3CCCO3)CC2)cs1	ZINC000085747133	671481892	/nfs/dbraw/zinc/48/18/92/671481892.db2.gz	IEFQESYEOAXHDD-CQSZACIVSA-N	1	0	365.503	1.104	20	30		FDEDRO
CC[NH+]=C(NCC1CCSCC1)N1CC[C@@H](CN2CCOCC2)C1	ZINC000086916874	671484438	/nfs/dbraw/zinc/48/44/38/671484438.db2.gz	CGTVKZHWLBNRSA-KRWDZBQOSA-N	1	0	354.564	1.749	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1CC(N)=NOCc1cccc(S(=O)(=O)N(C)C)c1	ZINC000106437907	671607046	/nfs/dbraw/zinc/60/70/46/671607046.db2.gz	ODKVRJVAHMCLPG-CQSZACIVSA-N	1	0	368.503	1.600	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1	ZINC000119011074	671669244	/nfs/dbraw/zinc/66/92/44/671669244.db2.gz	NTJDKZYGEXVJQN-AWEZNQCLSA-N	1	0	351.472	1.909	20	30		FDEDRO
C#CCCN1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1	ZINC000119935197	671681566	/nfs/dbraw/zinc/68/15/66/671681566.db2.gz	FAMZFIBPDFJTAU-UHFFFAOYSA-N	1	0	371.300	1.920	20	30		FDEDRO
COCC[N@H+]1[C@H](C)CN(CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H]1C	ZINC000130006314	671790187	/nfs/dbraw/zinc/79/01/87/671790187.db2.gz	QEDKTINSSQZJJH-CALCHBBNSA-N	1	0	350.507	1.712	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C)C[C@H]2C(C)C)c1	ZINC000151296062	671862671	/nfs/dbraw/zinc/86/26/71/671862671.db2.gz	YKRFWSBEMPUHPM-KRWDZBQOSA-N	1	0	363.483	1.010	20	30		FDEDRO
C#CCCCCNC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1	ZINC000152032295	671877027	/nfs/dbraw/zinc/87/70/27/671877027.db2.gz	WVOKENAELFJTOX-UHFFFAOYSA-N	1	0	350.507	1.716	20	30		FDEDRO
C#CCSCCNC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000153743234	671907631	/nfs/dbraw/zinc/90/76/31/671907631.db2.gz	ARQJRWQKUNQNLV-UHFFFAOYSA-N	1	0	360.527	1.470	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCCS1)NC[C@]1(N2CCOCC2)CCSC1	ZINC000157387468	671968251	/nfs/dbraw/zinc/96/82/51/671968251.db2.gz	YZCWOQSTHDMFOT-GOEBONIOSA-N	1	0	358.577	1.255	20	30		FDEDRO
C[NH+]=C(NCCOc1cccc(Cl)c1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158585801	671980979	/nfs/dbraw/zinc/98/09/79/671980979.db2.gz	ULTLBYGJCIVBKU-UHFFFAOYSA-N	1	0	373.906	1.803	20	30		FDEDRO
CC[NH+]=C(NCCN(C)C1CCCCC1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158580524	671981069	/nfs/dbraw/zinc/98/10/69/671981069.db2.gz	VYQFAEJJVDZPOT-UHFFFAOYSA-N	1	0	372.579	1.725	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)ccc1F	ZINC000161086417	672006894	/nfs/dbraw/zinc/00/68/94/672006894.db2.gz	GENKCMTXVOLNSQ-OLZOCXBDSA-N	1	0	355.435	1.290	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C[NH2+]C)ccc1F	ZINC000161164831	672007534	/nfs/dbraw/zinc/00/75/34/672007534.db2.gz	JKVCXIUTRRXCPC-ZDUSSCGKSA-N	1	0	355.435	1.114	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NCCNC(=[NH2+])NCCc2ccccc2)cc1	ZINC000170910512	672048343	/nfs/dbraw/zinc/04/83/43/672048343.db2.gz	VJOISPZVUGDCHO-UHFFFAOYSA-N	1	0	360.483	1.420	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Nc2ccn(CCS(C)(=O)=O)n2)CC1	ZINC000173970834	672087541	/nfs/dbraw/zinc/08/75/41/672087541.db2.gz	XCHHFKMJVCWOOQ-UHFFFAOYSA-N	1	0	369.491	1.090	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1CC(N)=NOCC(=O)N(C)Cc1ccccc1F	ZINC000177592665	672127837	/nfs/dbraw/zinc/12/78/37/672127837.db2.gz	JICLUUJJSYNMBU-CQSZACIVSA-N	1	0	350.438	1.947	20	30		FDEDRO
C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	ZINC000288337180	675993916	/nfs/dbraw/zinc/99/39/16/675993916.db2.gz	YMTVAOPVWFFQQB-NSHDSACASA-N	1	0	357.439	1.687	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2([NH3+])CCCC2)cc1	ZINC000237089683	672420282	/nfs/dbraw/zinc/42/02/82/672420282.db2.gz	JICNTCFTMNVGLF-HMMYKYKNSA-N	1	0	364.471	1.709	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)ccc1F	ZINC000237516551	672423386	/nfs/dbraw/zinc/42/33/86/672423386.db2.gz	CSXPQFDEORLPPU-AAEUAGOBSA-N	1	0	355.435	1.242	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCCC2)c1	ZINC000237935785	672430940	/nfs/dbraw/zinc/43/09/40/672430940.db2.gz	HWMCBBZWVKLEPR-KRWDZBQOSA-N	1	0	365.499	1.788	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1	ZINC000245465990	672445183	/nfs/dbraw/zinc/44/51/83/672445183.db2.gz	YTGYLSWACPFSSN-CVEARBPZSA-N	1	0	363.483	1.460	20	30		FDEDRO
CO[C@H]1CCC[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1	ZINC000245643827	672455983	/nfs/dbraw/zinc/45/59/83/672455983.db2.gz	FBKBJDFWMUMFLX-JKSUJKDBSA-N	1	0	362.499	1.568	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CON=Cc2ccc(F)cc2)C1	ZINC000255629922	672623556	/nfs/dbraw/zinc/62/35/56/672623556.db2.gz	KARMLYYIEQGFOY-QGZVFWFLSA-N	1	0	351.422	1.649	20	30		FDEDRO
CC[NH+]=C(NCc1sccc1C)NCC1CCN(S(C)(=O)=O)CC1	ZINC000261692053	672652454	/nfs/dbraw/zinc/65/24/54/672652454.db2.gz	RVUVHTGCQGMXTA-UHFFFAOYSA-N	1	0	372.560	1.783	20	30		FDEDRO
C[NH+]=C(NCc1cn2cc(Cl)ccc2n1)N1CCC[C@H](CC(N)=O)C1	ZINC000261707939	672655690	/nfs/dbraw/zinc/65/56/90/672655690.db2.gz	GVXATLUGRVACHB-GFCCVEGCSA-N	1	0	362.865	1.651	20	30		FDEDRO
CC(C)(C)NC(=[NH2+])NCCNS(=O)(=O)c1ccc(F)cc1Cl	ZINC000261724919	672659248	/nfs/dbraw/zinc/65/92/48/672659248.db2.gz	JOZSJJDTUJNXGJ-UHFFFAOYSA-N	1	0	350.847	1.460	20	30		FDEDRO
C[NH+]=C(NC[C@H](O)C1CCCCC1)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000261766218	672668083	/nfs/dbraw/zinc/66/80/83/672668083.db2.gz	OSGVHNJBDIJEOT-WMZOPIPTSA-N	1	0	352.523	1.157	20	30		FDEDRO
C[NH+]=C(NC[C@]1(O)CCSC1)N1CCN(c2cc(F)ccc2F)CC1	ZINC000261780115	672671151	/nfs/dbraw/zinc/67/11/51/672671151.db2.gz	PZDOLRPFTDBEIQ-QGZVFWFLSA-N	1	0	370.469	1.530	20	30		FDEDRO
CC[NH+]=C(NC[C@H]1CCCCO1)N1CCN(c2nc(CC)ns2)CC1	ZINC000261834159	672680161	/nfs/dbraw/zinc/68/01/61/672680161.db2.gz	VVSCEADXWSSSIB-CQSZACIVSA-N	1	0	366.535	1.757	20	30		FDEDRO
C/[NH+]=C(/NCc1cn2ccsc2n1)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000261838076	672680749	/nfs/dbraw/zinc/68/07/49/672680749.db2.gz	WAJCQZJPLVAGOL-AWEZNQCLSA-N	1	0	362.503	1.125	20	30		FDEDRO
CC[NH+]=C(NC[C@]1(C)CCOC1)N1CCN([C@@H](C)C(F)(F)F)CC1	ZINC000261857671	672684571	/nfs/dbraw/zinc/68/45/71/672684571.db2.gz	MYBNHGLWKSLJOC-ZFWWWQNUSA-N	1	0	350.429	1.947	20	30		FDEDRO
C[NH+]=C(NC[C@]1(O)CCSC1)N[C@H]1CCN(c2ccccc2OC)C1	ZINC000261934215	672696834	/nfs/dbraw/zinc/69/68/34/672696834.db2.gz	CCGDDQJRIDEXNA-KBXCAEBGSA-N	1	0	364.515	1.307	20	30		FDEDRO
C[NH+]=C(NC[C@H](C)N1CCC[C@@H](C)C1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261943237	672698870	/nfs/dbraw/zinc/69/88/70/672698870.db2.gz	FBIYEYHXZPTNPB-CABCVRRESA-N	1	0	358.552	1.191	20	30		FDEDRO
C[NH+]=C(NCCNC(=O)c1ccco1)N1CCN(c2cccs2)CC1	ZINC000261958559	672701974	/nfs/dbraw/zinc/70/19/74/672701974.db2.gz	JLXPTLIINYSZCD-UHFFFAOYSA-N	1	0	361.471	1.469	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](C)[C@@H](n2ccnc2)C1	ZINC000261959931	672702440	/nfs/dbraw/zinc/70/24/40/672702440.db2.gz	JYPLINARNRHVOE-JYJNAYRXSA-N	1	0	367.519	1.166	20	30		FDEDRO
CCS(=O)(=O)NCCNC(N[C@H]1CC(C)(C)Oc2ccccc21)=[NH+]C	ZINC000261962098	672702858	/nfs/dbraw/zinc/70/28/58/672702858.db2.gz	KKOGQTNFDKVZLP-AWEZNQCLSA-N	1	0	368.503	1.393	20	30		FDEDRO
C[NH+]=C(NC[C@H](C)Oc1cccc(F)c1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261982082	672706517	/nfs/dbraw/zinc/70/65/17/672706517.db2.gz	PDKOCTVDJVLUIR-ZDUSSCGKSA-N	1	0	371.478	1.677	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(F)cc1F)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261981401	672706628	/nfs/dbraw/zinc/70/66/28/672706628.db2.gz	OYDWLJDAWHUFKJ-UHFFFAOYSA-N	1	0	359.442	1.939	20	30		FDEDRO
C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N1CCSC(C)(C)C1	ZINC000262012325	672711829	/nfs/dbraw/zinc/71/18/29/672711829.db2.gz	VDYGYBBMYCIJHZ-UHFFFAOYSA-N	1	0	362.565	1.061	20	30		FDEDRO
C[NH+]=C(NC[C@](C)(O)c1ccco1)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000262018856	672712615	/nfs/dbraw/zinc/71/26/15/672712615.db2.gz	VXFCYBWSUQCNCV-SFHVURJKSA-N	1	0	350.463	1.394	20	30		FDEDRO
C[NH+]=C(NCc1ccc(S(=O)(=O)N(C)C)cc1)NC[C@H]1CCCS1	ZINC000262019992	672713014	/nfs/dbraw/zinc/71/30/14/672713014.db2.gz	YOQUABDHNLNKKT-CQSZACIVSA-N	1	0	370.544	1.498	20	30		FDEDRO
[NH2+]=C(NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)N1CCSCC1	ZINC000262024865	672714053	/nfs/dbraw/zinc/71/40/53/672714053.db2.gz	ZCFIOEMGBUXQAQ-INIZCTEOSA-N	1	0	362.499	1.459	20	30		FDEDRO
[NH2+]=C(NC[C@@]1(N2CCOCC2)CCSC1)Nc1cc(F)ccc1F	ZINC000262243422	672753272	/nfs/dbraw/zinc/75/32/72/672753272.db2.gz	BVRLPNOTQZWWBW-INIZCTEOSA-N	1	0	356.442	1.899	20	30		FDEDRO
C[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1	ZINC000262282982	672761320	/nfs/dbraw/zinc/76/13/20/672761320.db2.gz	JNCSTBNBDFSBHX-LLVKDONJSA-N	1	0	372.300	1.825	20	30		FDEDRO
CC[C@H](C)[NH+]=C(NCC(=O)N(C)C)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000262297538	672764323	/nfs/dbraw/zinc/76/43/23/672764323.db2.gz	MOXYFFCHKDOASJ-AWEZNQCLSA-N	1	0	353.511	1.150	20	30		FDEDRO
C=C(C)CNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](O)C(C)(C)C1	ZINC000262348333	672774819	/nfs/dbraw/zinc/77/48/19/672774819.db2.gz	DPSONPPUBOGXQB-LSDHHAIUSA-N	1	0	357.520	1.036	20	30		FDEDRO
CCN1CCC[C@@H]1C[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCCCC1	ZINC000262355693	672775986	/nfs/dbraw/zinc/77/59/86/672775986.db2.gz	FVKYGFAVCUZZNR-IAGOWNOFSA-N	1	0	370.563	1.337	20	30		FDEDRO
C[NH+]=C(NCC1(SC)CCOCC1)N1CCN(c2ncccn2)CC1	ZINC000262367393	672777794	/nfs/dbraw/zinc/77/77/94/672777794.db2.gz	HZGAWHPCFDBXLP-UHFFFAOYSA-N	1	0	364.519	1.086	20	30		FDEDRO
CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCOc2ccccc21	ZINC000262378391	672779387	/nfs/dbraw/zinc/77/93/87/672779387.db2.gz	JZBFZLPOWOROHD-GOEBONIOSA-N	1	0	365.499	1.890	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCOC2(CCCC2)C1	ZINC000262384889	672780793	/nfs/dbraw/zinc/78/07/93/672780793.db2.gz	LEKPXQMPXKPVFL-HOTGVXAUSA-N	1	0	371.547	1.857	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(NCC2CCOCC2)=[NH+]C2CCCC2)C1	ZINC000262398956	672783130	/nfs/dbraw/zinc/78/31/30/672783130.db2.gz	NJBLAAVHOGUBLZ-OAHLLOKOSA-N	1	0	357.520	1.326	20	30		FDEDRO
C[NH+]=C(NCC1(N2CCOCC2)CCCCC1)N1CC[C@@H](COC)C1	ZINC000262431444	672788624	/nfs/dbraw/zinc/78/86/24/672788624.db2.gz	FEYXUXAHQVUMEC-QGZVFWFLSA-N	1	0	352.523	1.565	20	30		FDEDRO
Cc1nc(C)c(CNC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C(C)C)s1	ZINC000262450559	672791432	/nfs/dbraw/zinc/79/14/32/672791432.db2.gz	VWXXMFJSCXYTLV-CYBMUJFWSA-N	1	0	358.533	1.638	20	30		FDEDRO
C[NH+]=C(NCC(C)(C)N1CCOCC1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C	ZINC000262487100	672797333	/nfs/dbraw/zinc/79/73/33/672797333.db2.gz	WTNQTYIAYYXUGN-XHSDSOJGSA-N	1	0	352.523	1.466	20	30		FDEDRO
[NH2+]=C(NCCOc1ncc(C(F)(F)F)cc1Cl)N1CCOCC1	ZINC000262544864	672805330	/nfs/dbraw/zinc/80/53/30/672805330.db2.gz	UNFDTWUYKXQXJK-UHFFFAOYSA-N	1	0	352.744	1.780	20	30		FDEDRO
[NH2+]=C(NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)NC1CCCCC1	ZINC000262645420	672824600	/nfs/dbraw/zinc/82/46/00/672824600.db2.gz	IYLOLQOIIVDWRC-ZDUSSCGKSA-N	1	0	370.544	1.996	20	30		FDEDRO
O=S1(=O)CC[C@](O)(C[NH+]=C(Nc2ccccc2)N2CCCCC2)C1	ZINC000263024685	672858572	/nfs/dbraw/zinc/85/85/72/672858572.db2.gz	AJUFMZXXIOEIPU-KRWDZBQOSA-N	1	0	351.472	1.490	20	30		FDEDRO
CC1(C)CN(C2(CNC(=[NH2+])NC[C@H]3CCCO3)CCCCC2)CCO1	ZINC000263154291	672864114	/nfs/dbraw/zinc/86/41/14/672864114.db2.gz	MOKHXRSHJYGKRJ-MRXNPFEDSA-N	1	0	352.523	1.883	20	30		FDEDRO
CO[C@@H]1COCC[C@@H]1CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1	ZINC000263157331	672864538	/nfs/dbraw/zinc/86/45/38/672864538.db2.gz	QEKISAIXJYQPCG-RHSMWYFYSA-N	1	0	350.438	1.314	20	30		FDEDRO
CCCCNC(=[NH2+])NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1	ZINC000264084590	672900722	/nfs/dbraw/zinc/90/07/22/672900722.db2.gz	IPCZKAUNZBRIKG-HNNXBMFYSA-N	1	0	368.503	1.348	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCc2csc(CC)n2)CC1	ZINC000264128393	672902040	/nfs/dbraw/zinc/90/20/40/672902040.db2.gz	XCAZDNZSTPWUSB-UHFFFAOYSA-N	1	0	353.492	1.773	20	30		FDEDRO
[NH2+]=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)N1CCOCC1	ZINC000264136057	672903021	/nfs/dbraw/zinc/90/30/21/672903021.db2.gz	ZQKQPBCBZOCBME-INIZCTEOSA-N	1	0	352.866	1.360	20	30		FDEDRO
[NH2+]=C(NC[C@H](c1cccc(Cl)c1)N1CCOCC1)N1CCOCC1	ZINC000264238190	672904949	/nfs/dbraw/zinc/90/49/49/672904949.db2.gz	DNBIDVWDXSUTQN-MRXNPFEDSA-N	1	0	352.866	1.360	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H](C(N)=O)C(C)(C)C)c(OC)c1	ZINC000264540683	672917231	/nfs/dbraw/zinc/91/72/31/672917231.db2.gz	BTYDZGWFPYJTHU-PBHICJAKSA-N	1	0	350.459	1.653	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1	ZINC000264530091	672917306	/nfs/dbraw/zinc/91/73/06/672917306.db2.gz	ZZCVWMJGXIPANN-UHFFFAOYSA-N	1	0	365.499	1.707	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@](O)(c2nccn2C)C(F)(F)F)cc1C#N	ZINC000266203698	673081051	/nfs/dbraw/zinc/08/10/51/673081051.db2.gz	MGPJUPDSTRUKBX-OAHLLOKOSA-N	1	0	354.332	1.840	20	30		FDEDRO
C#CC[N@H+](CC)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl	ZINC000266965717	673224974	/nfs/dbraw/zinc/22/49/74/673224974.db2.gz	YISVUVISELTPRH-UHFFFAOYSA-N	1	0	371.890	1.874	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1ccc(Br)cc1	ZINC000267128268	673255373	/nfs/dbraw/zinc/25/53/73/673255373.db2.gz	CRUBSDRTDVYTGD-UHFFFAOYSA-N	1	0	355.280	1.446	20	30		FDEDRO
C#CC[N@H+](CC)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000267338103	673293078	/nfs/dbraw/zinc/29/30/78/673293078.db2.gz	RWOXYJVBDGZQOV-UHFFFAOYSA-N	1	0	363.483	1.755	20	30		FDEDRO
COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccnc1C#N	ZINC000289565118	676153560	/nfs/dbraw/zinc/15/35/60/676153560.db2.gz	NZFFSLVTYHQUDP-UHFFFAOYSA-N	1	0	352.460	1.075	20	30		FDEDRO
C[C@H](O)C[N@H+](CCO)CCC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000289802717	676180082	/nfs/dbraw/zinc/18/00/82/676180082.db2.gz	MZMXMFYMTXAFMT-ZDUSSCGKSA-N	1	0	365.499	1.892	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2ccc(S(=O)(=O)CC)s2)CC1	ZINC000279338943	675278326	/nfs/dbraw/zinc/27/83/26/675278326.db2.gz	HJIHYHMCLMBZMY-UHFFFAOYSA-N	1	0	354.497	1.503	20	30		FDEDRO
COCc1nc(CNC(=[NH2+])NCCc2ccc(OC)c(OC)c2)cs1	ZINC000290713695	676225879	/nfs/dbraw/zinc/22/58/79/676225879.db2.gz	UENITNTWMDZKPH-UHFFFAOYSA-N	1	0	364.471	1.954	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1	ZINC000281608357	675536285	/nfs/dbraw/zinc/53/62/85/675536285.db2.gz	OZHIJQTYFWIQII-UHFFFAOYSA-N	1	0	357.863	1.368	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000281753968	675554329	/nfs/dbraw/zinc/55/43/29/675554329.db2.gz	JISQNQNSDBRTDG-WMZOPIPTSA-N	1	0	364.515	1.919	20	30		FDEDRO
CS(=O)(=O)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000292360132	676296599	/nfs/dbraw/zinc/29/65/99/676296599.db2.gz	WCOASUSDZKIEED-LBPRGKRZSA-N	1	0	369.874	1.907	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc2c(cc1Cl)OCO2	ZINC000293226244	676338849	/nfs/dbraw/zinc/33/88/49/676338849.db2.gz	CBSJUIXRCQUZDK-UHFFFAOYSA-N	1	0	351.790	1.079	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2OCCN(CC(=O)Nc3ccc(C#N)c(Cl)c3)[C@H]2C1	ZINC000293294595	676343209	/nfs/dbraw/zinc/34/32/09/676343209.db2.gz	PCBMZFMLVLXIAD-DLBZAZTESA-N	1	0	362.861	1.945	20	30		FDEDRO
C[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)CN1CC[NH+](C)CC1	ZINC000294267937	676380664	/nfs/dbraw/zinc/38/06/64/676380664.db2.gz	RMZKOQUSGXBAJV-AWEZNQCLSA-N	1	0	368.478	1.000	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCCNc1nccc(C(F)(F)F)n1	ZINC000296739978	676420454	/nfs/dbraw/zinc/42/04/54/676420454.db2.gz	DKJVBRRPBZXOCL-UHFFFAOYSA-N	1	0	358.368	1.162	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1	ZINC000299032160	676512944	/nfs/dbraw/zinc/51/29/44/676512944.db2.gz	NFBOCWWVSHLNNM-SJORKVTESA-N	1	0	363.483	1.508	20	30		FDEDRO
C[C@H](CNC(=[NH2+])NCCCN1CCOCC1)Oc1ccc(Cl)cc1	ZINC000304744970	676544294	/nfs/dbraw/zinc/54/42/94/676544294.db2.gz	YEXIEQJTBNXHGX-CQSZACIVSA-N	1	0	354.882	1.734	20	30		FDEDRO
CCNC(=O)C(C)(C)CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000305222888	676544937	/nfs/dbraw/zinc/54/49/37/676544937.db2.gz	UOSLPCUNOHYTOU-UHFFFAOYSA-N	1	0	355.483	1.016	20	30		FDEDRO
C[C@H](NC(=O)C[NH2+][C@H]1CCC(=O)NC12CCC2)C(=O)N1CCCCC1	ZINC000328679119	676601912	/nfs/dbraw/zinc/60/19/12/676601912.db2.gz	BMISPFDOIHFXBZ-KBPBESRZSA-N	1	0	350.463	1.975	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)CCSC1	ZINC000328691786	676602490	/nfs/dbraw/zinc/60/24/90/676602490.db2.gz	IXCSJUDSMCNUKS-MPGHIAIKSA-N	1	0	371.547	1.495	20	30		FDEDRO
Cn1ccnc1N1CCC(NC(=O)CCSc2nnnn2C)CC1	ZINC000328751019	676605252	/nfs/dbraw/zinc/60/52/52/676605252.db2.gz	MWWZDSWXHFFGGE-UHFFFAOYSA-N	1	0	350.452	1.051	20	30		FDEDRO
CN(C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)[C@@H]1CCNC1=O	ZINC000328808610	676607821	/nfs/dbraw/zinc/60/78/21/676607821.db2.gz	DDBOBQFNUWYHQR-OAHLLOKOSA-N	1	0	352.479	1.844	20	30		FDEDRO
NC(=O)N[C@@H]1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1	ZINC000328867373	676610230	/nfs/dbraw/zinc/61/02/30/676610230.db2.gz	CDAYDUKULUKTTL-CQSZACIVSA-N	1	0	369.535	1.809	20	30		FDEDRO
Cc1noc([C@@H]2CN(C(=O)NCC[NH+]3CCC(C)CC3)CCN2C)n1	ZINC000328944886	676612998	/nfs/dbraw/zinc/61/29/98/676612998.db2.gz	AUDVXKLPOAISCX-HNNXBMFYSA-N	1	0	350.467	1.312	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)N[C@@H](c2nc(C)no2)C2CCOCC2)CC1	ZINC000328940945	676613152	/nfs/dbraw/zinc/61/31/52/676613152.db2.gz	FEKCNEJGTXAUBJ-OAHLLOKOSA-N	1	0	351.451	1.834	20	30		FDEDRO
Cc1noc([C@@H]2CN(C(=O)N[C@@H]3C[N@H+](C(C)C)C[C@H]3C)CCN2C)n1	ZINC000329060898	676617910	/nfs/dbraw/zinc/61/79/10/676617910.db2.gz	NKYRXHGVLGHEHQ-YUELXQCFSA-N	1	0	350.467	1.309	20	30		FDEDRO
CCC(=O)N1CSC[C@@H]1C(=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000329097992	676619934	/nfs/dbraw/zinc/61/99/34/676619934.db2.gz	LTCKXJNYGXMNCQ-CQSZACIVSA-N	1	0	355.504	1.899	20	30		FDEDRO
C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1nc(CN2CCOCC2)cs1	ZINC000329131307	676621948	/nfs/dbraw/zinc/62/19/48/676621948.db2.gz	XRXJPCIQQJEHDG-CHWSQXEVSA-N	1	0	353.492	1.545	20	30		FDEDRO
O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)N1CC[NH+](C2CCOCC2)CC1	ZINC000329150334	676622826	/nfs/dbraw/zinc/62/28/26/676622826.db2.gz	RLCQEXFJVYLBCI-CRAIPNDOSA-N	1	0	353.463	1.035	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2CCN(CC(F)(F)F)C(=O)C2)CC1	ZINC000329195058	676624473	/nfs/dbraw/zinc/62/44/73/676624473.db2.gz	TZNDZAJATNPKAW-UHFFFAOYSA-N	1	0	350.385	1.134	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)CCCC1	ZINC000329222013	676626347	/nfs/dbraw/zinc/62/63/47/676626347.db2.gz	VQSKJEHIIWHGLN-RHSMWYFYSA-N	1	0	373.519	1.101	20	30		FDEDRO
C[C@H]1CCC[N@H+](CCNC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)C1	ZINC000329227351	676626739	/nfs/dbraw/zinc/62/67/39/676626739.db2.gz	BCMFTQLTHIXFKY-HRCADAONSA-N	1	0	353.463	1.081	20	30		FDEDRO
CC(=O)Nc1ncc(S(=O)(=O)N2CCCC23CC[NH+](C)CC3)s1	ZINC000329235220	676627369	/nfs/dbraw/zinc/62/73/69/676627369.db2.gz	NGMHIJARKPOBLJ-UHFFFAOYSA-N	1	0	358.489	2.000	20	30		FDEDRO
O=C(NC[C@H](N1CCOCC1)C(F)(F)F)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000329262649	676629326	/nfs/dbraw/zinc/62/93/26/676629326.db2.gz	GEKPRVMBHBJEIT-RDBSUJKOSA-N	1	0	364.412	1.380	20	30		FDEDRO
Cc1ccc(C(=O)N2CCN(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)s1	ZINC000329277505	676630316	/nfs/dbraw/zinc/63/03/16/676630316.db2.gz	CNOMFVSKYXMTIY-AWEZNQCLSA-N	1	0	362.499	1.965	20	30		FDEDRO
Cc1ccsc1CCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000329278153	676630321	/nfs/dbraw/zinc/63/03/21/676630321.db2.gz	JNNUAJDUCHRQDZ-OAHLLOKOSA-N	1	0	364.515	1.751	20	30		FDEDRO
Cc1nc([C@@H]2CN(C(=O)NC[C@H](C)[N@@H+]3CCC[C@@H](C)C3)CCO2)no1	ZINC000329336883	676633731	/nfs/dbraw/zinc/63/37/31/676633731.db2.gz	MEHRNNAHQVQROG-IPYPFGDCSA-N	1	0	351.451	1.786	20	30		FDEDRO
O=C(CCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)N1CCOCC1	ZINC000329338060	676633901	/nfs/dbraw/zinc/63/39/01/676633901.db2.gz	YNGSRGPLAZPZFD-HNNXBMFYSA-N	1	0	355.504	1.409	20	30		FDEDRO
CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)C1	ZINC000329458711	676639596	/nfs/dbraw/zinc/63/95/96/676639596.db2.gz	RGSXZRILVLXRHJ-ULQDDVLXSA-N	1	0	350.507	1.821	20	30		FDEDRO
CC[N@@H+]1CCCN(C(=O)N[C@H](c2nc(C)no2)C2CCOCC2)CC1	ZINC000329524167	676642387	/nfs/dbraw/zinc/64/23/87/676642387.db2.gz	SBBTVNHGVKLVCE-HNNXBMFYSA-N	1	0	351.451	1.787	20	30		FDEDRO
CC(=O)N[C@@H]1CCCN(C(=O)CN2CCC([NH+]3CCCCC3)CC2)C1	ZINC000329536473	676643109	/nfs/dbraw/zinc/64/31/09/676643109.db2.gz	LWIAZJYYFFQJJR-QGZVFWFLSA-N	1	0	350.507	1.904	20	30		FDEDRO
CC(C)(C)CCN1CCN(C(=O)NC[C@@H]2CCCCS2(=O)=O)CC1	ZINC000329568645	676644432	/nfs/dbraw/zinc/64/44/32/676644432.db2.gz	PODYWIIFQAMSTJ-HNNXBMFYSA-N	1	0	359.536	1.922	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O	ZINC000329589537	676645339	/nfs/dbraw/zinc/64/53/39/676645339.db2.gz	ZKOFUHCMLRYVCD-BZUAXINKSA-N	1	0	374.551	1.471	20	30		FDEDRO
NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CC[C@@]3(CCOC3)C2)c1	ZINC000329836254	676659848	/nfs/dbraw/zinc/65/98/48/676659848.db2.gz	VAAJXUYKTVUTCO-MRXNPFEDSA-N	1	0	353.444	1.425	20	30		FDEDRO
CN1CCO[C@@H](C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)C1	ZINC000329838945	676660052	/nfs/dbraw/zinc/66/00/52/676660052.db2.gz	NPUNMVCMMHFNIH-CQSZACIVSA-N	1	0	357.407	1.284	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(C(=O)NCc3ccc(S(C)(=O)=O)s3)[C@H]2C1	ZINC000329886183	676662347	/nfs/dbraw/zinc/66/23/47/676662347.db2.gz	VSXUKKWGTXMWLS-YPMHNXCESA-N	1	0	357.501	1.592	20	30		FDEDRO
NC(=O)[C@@H]1CC[C@@H](CNC(=O)N2CC[NH+](CC3CCOCC3)CC2)O1	ZINC000329929901	676664104	/nfs/dbraw/zinc/66/41/04/676664104.db2.gz	ZESKOPIDRDISSV-GJZGRUSLSA-N	1	0	354.451	1.027	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C[C@H](C(N)=O)O1	ZINC000329948483	676665060	/nfs/dbraw/zinc/66/50/60/676665060.db2.gz	KUBQDXHKPQEBDT-ZIAGYGMSSA-N	1	0	354.451	1.170	20	30		FDEDRO
CCS(=O)(=O)N1CCC[C@@H](C(=O)NCC2CC[NH+](C3CC3)CC2)C1	ZINC000329949711	676665309	/nfs/dbraw/zinc/66/53/09/676665309.db2.gz	LOPPZPUPSHYULY-OAHLLOKOSA-N	1	0	357.520	1.879	20	30		FDEDRO
Cc1nc(S(=O)(=O)NCC(=O)NCC[N@@H+]2CCCC(C)(C)C2)cn1C	ZINC000329972021	676666283	/nfs/dbraw/zinc/66/62/83/676666283.db2.gz	XYDJREFHVJEEHZ-UHFFFAOYSA-N	1	0	371.507	1.085	20	30		FDEDRO
CC(C)(CNC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)C[NH+]1CCCC1	ZINC000330074122	676671296	/nfs/dbraw/zinc/67/12/96/676671296.db2.gz	CQWHLABJWREVGV-AWEZNQCLSA-N	1	0	360.524	1.036	20	30		FDEDRO
C[C@@H](CNC(=O)Nc1ccc(C(F)(F)F)nn1)C[NH+]1CCN(C)CC1	ZINC000330160210	676675944	/nfs/dbraw/zinc/67/59/44/676675944.db2.gz	RTEDAFBBMOKXKH-NSHDSACASA-N	1	0	360.384	1.705	20	30		FDEDRO
C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1	ZINC000330186774	676677230	/nfs/dbraw/zinc/67/72/30/676677230.db2.gz	SHXFOCULHNPLPY-FZKCQIBNSA-N	1	0	374.551	1.233	20	30		FDEDRO
CN(C)C(=O)CCN1CCN(C(=O)N[C@@H]2CCOC3(CCC3)C2)CC1	ZINC000330219703	676679299	/nfs/dbraw/zinc/67/92/99/676679299.db2.gz	KIVKPSSEYMHRBR-OAHLLOKOSA-N	1	0	352.479	1.098	20	30		FDEDRO
CCOC1CC(CNC(=O)N2CC[C@H](O)C[C@@H]2C)(N2CCOCC2)C1	ZINC000330233312	676679912	/nfs/dbraw/zinc/67/99/12/676679912.db2.gz	XUPTZAJRZCWBLD-WMTDPASSSA-N	1	0	355.479	1.016	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)C1	ZINC000330260697	676681845	/nfs/dbraw/zinc/68/18/45/676681845.db2.gz	ONTJMVQQQKNODM-ZJIFWQFVSA-N	1	0	357.520	1.672	20	30		FDEDRO
C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CC[C@H](C2CCOCC2)C1	ZINC000330447174	676691099	/nfs/dbraw/zinc/69/10/99/676691099.db2.gz	HUUGQVWCVCNZCP-PWSUYJOCSA-N	1	0	351.369	1.716	20	30		FDEDRO
CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1	ZINC000330557584	676696716	/nfs/dbraw/zinc/69/67/16/676696716.db2.gz	GDNKAEUTWJQBSU-YVEFUNNKSA-N	1	0	353.850	1.758	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)C1	ZINC000330648232	676699566	/nfs/dbraw/zinc/69/95/66/676699566.db2.gz	VQKXJRRRXQXKEX-CVEARBPZSA-N	1	0	374.551	1.282	20	30		FDEDRO
COC(=O)c1cc(CNC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)oc1C	ZINC000330691930	676700947	/nfs/dbraw/zinc/70/09/47/676700947.db2.gz	ALOUZWAIDDJXNG-RYUDHWBXSA-N	1	0	353.419	1.176	20	30		FDEDRO
C[C@@H](NC(=O)Nc1ccccc1S(=O)(=O)N(C)C)C1=CC[N@H+](C)CC1	ZINC000330784011	676704100	/nfs/dbraw/zinc/70/41/00/676704100.db2.gz	JFRODUJYPNPKHU-CYBMUJFWSA-N	1	0	366.487	1.913	20	30		FDEDRO
CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)C1	ZINC000330838652	676705861	/nfs/dbraw/zinc/70/58/61/676705861.db2.gz	LLEBCBSPUSTTOB-PMPSAXMXSA-N	1	0	354.495	1.246	20	30		FDEDRO
CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(S(N)(=O)=O)CC1	ZINC000330891542	676708363	/nfs/dbraw/zinc/70/83/63/676708363.db2.gz	XEOQHSWJBPCUCT-CQSZACIVSA-N	1	0	360.524	1.308	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1	ZINC000330905021	676709089	/nfs/dbraw/zinc/70/90/89/676709089.db2.gz	USWOTJQUPQYZMF-HIFRSBDPSA-N	1	0	356.517	1.811	20	30		FDEDRO
C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)CC2(C#N)CCCCC2)CC1	ZINC000331083414	676716159	/nfs/dbraw/zinc/71/61/59/676716159.db2.gz	YPXVJPRXPKUFCZ-MRXNPFEDSA-N	1	0	371.547	1.815	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2ncccc2S(C)(=O)=O)C1	ZINC000331178438	676720242	/nfs/dbraw/zinc/72/02/42/676720242.db2.gz	QKCUGKBTJUWKAH-ZDUSSCGKSA-N	1	0	354.476	1.221	20	30		FDEDRO
CC1CC[NH+](CCNC(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)CC1	ZINC000331177264	676720254	/nfs/dbraw/zinc/72/02/54/676720254.db2.gz	KJYMPVCSXCFWTQ-HUUCEWRRSA-N	1	0	360.524	1.082	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)C[C@H]1C	ZINC000331287652	676725692	/nfs/dbraw/zinc/72/56/92/676725692.db2.gz	NWUVKQAPTFLELH-HIFRSBDPSA-N	1	0	368.503	1.945	20	30		FDEDRO
C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1cccc(NS(C)(=O)=O)c1	ZINC000331289370	676725901	/nfs/dbraw/zinc/72/59/01/676725901.db2.gz	NWWLRAQLHLXILY-CZUORRHYSA-N	1	0	368.503	1.744	20	30		FDEDRO
CS[C@H]1CN(C(=O)Nc2cn(C)nc2C(F)(F)F)C[C@@H]1[NH+](C)C	ZINC000331328569	676727579	/nfs/dbraw/zinc/72/75/79/676727579.db2.gz	QZOHBNOFWYDUGP-UWVGGRQHSA-N	1	0	351.398	1.962	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)[C@H]1CCSC1	ZINC000331839595	676734531	/nfs/dbraw/zinc/73/45/31/676734531.db2.gz	AJHBTHMXXNICQN-ZWKOTPCHSA-N	1	0	358.511	1.660	20	30		FDEDRO
CC1CC[NH+](C[C@H](O)CNS(=O)(=O)CC2(C#N)CCCCC2)CC1	ZINC000332623215	676743655	/nfs/dbraw/zinc/74/36/55/676743655.db2.gz	UCJGCVLDOWVBDY-MRXNPFEDSA-N	1	0	357.520	1.473	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)CC1	ZINC000360486179	676868528	/nfs/dbraw/zinc/86/85/28/676868528.db2.gz	YKHINBNDTWOGQS-INIZCTEOSA-N	1	0	359.495	1.957	20	30		FDEDRO
N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]CCc2ccc(S(N)(=O)=O)cc2)O1	ZINC000360792624	676875760	/nfs/dbraw/zinc/87/57/60/676875760.db2.gz	MCVKPFGAJNVCCN-DDBAPUKQSA-N	1	0	363.483	1.706	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(OC[C@H]2CCCCO2)CC1	ZINC000361017314	676881441	/nfs/dbraw/zinc/88/14/41/676881441.db2.gz	GGCPBTYHODEXNT-GOEBONIOSA-N	1	0	353.463	1.437	20	30		FDEDRO
COC[C@]1(CNC(=O)NCCSCc2ccccc2C#N)CCC[NH2+]1	ZINC000416878395	679728016	/nfs/dbraw/zinc/72/80/16/679728016.db2.gz	XCXCOEPCKXHLEK-GOSISDBHSA-N	1	0	362.499	1.859	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1Cl	ZINC000363107907	676935407	/nfs/dbraw/zinc/93/54/07/676935407.db2.gz	OABDMCSEFUOPJX-UONOGXRCSA-N	1	0	362.817	1.130	20	30		FDEDRO
Cn1c(NC2CC[NH+](Cc3ccsc3)CC2)c(C#N)c(=O)n(C)c1=O	ZINC000363420036	676953431	/nfs/dbraw/zinc/95/34/31/676953431.db2.gz	ZFMNOMIBEXUTPQ-UHFFFAOYSA-N	1	0	359.455	1.094	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2CCN([C@@H]3CCSC3)CC2)ccc1F	ZINC000364137521	676994781	/nfs/dbraw/zinc/99/47/81/676994781.db2.gz	VWIGRVRIRSJMPE-CYBMUJFWSA-N	1	0	355.460	1.509	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1	ZINC000366235646	677424856	/nfs/dbraw/zinc/42/48/56/677424856.db2.gz	KTECCMXBOXNAEY-OAHLLOKOSA-N	1	0	353.463	1.389	20	30		FDEDRO
N#Cc1ncn(C2CC[NH+](C[C@H](O)COc3ccccc3Cl)CC2)n1	ZINC000366370516	677438101	/nfs/dbraw/zinc/43/81/01/677438101.db2.gz	CPQGQBKIQHUPSY-AWEZNQCLSA-N	1	0	361.833	1.880	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1	ZINC000367249916	677490890	/nfs/dbraw/zinc/49/08/90/677490890.db2.gz	CLUPVLXUGJSVKX-QGZVFWFLSA-N	1	0	372.535	1.480	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)CCC(C)(C)C#N)CCN1C1CC[NH+](C)CC1	ZINC000367705438	677495070	/nfs/dbraw/zinc/49/50/70/677495070.db2.gz	MRDWUWNENYGTLB-OAHLLOKOSA-N	1	0	356.536	1.356	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)c1	ZINC000368594483	677500659	/nfs/dbraw/zinc/50/06/59/677500659.db2.gz	WQXVZOZIMMQVHY-RHSMWYFYSA-N	1	0	363.483	1.317	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)NCC1CCN(c2cc[nH+]cc2)CC1	ZINC000369115880	677503263	/nfs/dbraw/zinc/50/32/63/677503263.db2.gz	KBTFZTBWLMJMFN-HNNXBMFYSA-N	1	0	365.503	1.614	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)NC1CC[NH+](C2CCC(C)CC2)CC1	ZINC000369226171	677503943	/nfs/dbraw/zinc/50/39/43/677503943.db2.gz	LKCKRZQFONMTMD-UHFFFAOYSA-N	1	0	371.547	1.930	20	30		FDEDRO
N#Cc1ccccc1OCCN1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1	ZINC000369906122	677526485	/nfs/dbraw/zinc/52/64/85/677526485.db2.gz	LQNGEWKVQUBPCE-KRWDZBQOSA-N	1	0	363.483	1.178	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCC[N@@H+]1CCc1ccccc1	ZINC000370297853	677562495	/nfs/dbraw/zinc/56/24/95/677562495.db2.gz	MUBSTWHXNVTCPG-WMZOPIPTSA-N	1	0	364.515	1.619	20	30		FDEDRO
CC(C)(O)C[N@@H+]1CCCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1	ZINC000372550565	677935474	/nfs/dbraw/zinc/93/54/74/677935474.db2.gz	DOXIGVNTNIUBFP-OAHLLOKOSA-N	1	0	362.499	1.504	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1	ZINC000373934853	678068977	/nfs/dbraw/zinc/06/89/77/678068977.db2.gz	BNRTXMBMCJXIJM-CVEARBPZSA-N	1	0	363.483	1.508	20	30		FDEDRO
CCOC(=O)[C@@]1(COC)CCC[N@H+](CC(=O)N(CC)C[C@H](C)C#N)C1	ZINC000374169399	678073955	/nfs/dbraw/zinc/07/39/55/678073955.db2.gz	CHCAMGHSQFSFRJ-QAPCUYQASA-N	1	0	353.463	1.286	20	30		FDEDRO
Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)N3CCO[C@H](C#N)C3)[C@@H](C)C2)s1	ZINC000374180951	678074003	/nfs/dbraw/zinc/07/40/03/678074003.db2.gz	UBGXJOQZADBTSU-BJJXKVORSA-N	1	0	363.487	1.596	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1	ZINC000374416033	678079074	/nfs/dbraw/zinc/07/90/74/678079074.db2.gz	PFLACRNVVDFANK-WBVHZDCISA-N	1	0	370.519	1.042	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(Cc2cnc(C)s2)C[C@H]1C	ZINC000375514184	678151747	/nfs/dbraw/zinc/15/17/47/678151747.db2.gz	NFFYJPWBFPKGNQ-DOMZBBRYSA-N	1	0	365.503	1.263	20	30		FDEDRO
N#Cc1ccc(Cl)c(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)c1	ZINC000376070352	678221241	/nfs/dbraw/zinc/22/12/41/678221241.db2.gz	UCOAJCFBPSQSMU-UHFFFAOYSA-N	1	0	363.845	1.511	20	30		FDEDRO
COC(=O)C[C@@H]1COCCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000376539753	678330098	/nfs/dbraw/zinc/33/00/98/678330098.db2.gz	IZGKKOASBDDEEG-CQSZACIVSA-N	1	0	365.817	1.804	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1	ZINC000423022720	680772565	/nfs/dbraw/zinc/77/25/65/680772565.db2.gz	IHDQXQWONJZXQL-STQMWFEESA-N	1	0	367.902	1.984	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000377673653	678588761	/nfs/dbraw/zinc/58/87/61/678588761.db2.gz	MXJTUAYLJLJQEC-ZBFHGGJFSA-N	1	0	368.840	1.826	20	30		FDEDRO
N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@H]3C(=O)NC[C@H]3C1)CCC2	ZINC000377719742	678598053	/nfs/dbraw/zinc/59/80/53/678598053.db2.gz	KZLYXMKUSMYGJR-NWDGAFQWSA-N	1	0	358.467	1.505	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1cccc(C[N@H+](C)CC)c1	ZINC000409563847	678860527	/nfs/dbraw/zinc/86/05/27/678860527.db2.gz	ZNOHHSMBFCYQAQ-HNNXBMFYSA-N	1	0	352.504	1.954	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(F)c1	ZINC000409597383	678866589	/nfs/dbraw/zinc/86/65/89/678866589.db2.gz	MECGGYIBJCBTNN-HNNXBMFYSA-N	1	0	370.494	1.916	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)N(CC)CCC#N)[C@@H](C)C1	ZINC000410125064	678880062	/nfs/dbraw/zinc/88/00/62/678880062.db2.gz	YGVZPZHSTDOQOH-HOTGVXAUSA-N	1	0	360.524	1.193	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000410150985	678886323	/nfs/dbraw/zinc/88/63/23/678886323.db2.gz	DZNFAFRHYLWKEE-FUHWJXTLSA-N	1	0	364.515	1.967	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C[NH3+])C2CCCC2)c1	ZINC000423937172	680822242	/nfs/dbraw/zinc/82/22/42/680822242.db2.gz	FZNPOCRETPUEHD-MRXNPFEDSA-N	1	0	351.472	1.398	20	30		FDEDRO
C[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000424100046	680829776	/nfs/dbraw/zinc/82/97/76/680829776.db2.gz	KKWLQIGTLOUJPF-DOMZBBRYSA-N	1	0	352.460	1.135	20	30		FDEDRO
CC(C)(CN1CCOCC1)[NH2+]CC(=O)Nc1cc(Cl)ccc1C#N	ZINC000412003262	679141325	/nfs/dbraw/zinc/14/13/25/679141325.db2.gz	PHVXSLXXTSCHRP-UHFFFAOYSA-N	1	0	350.850	1.851	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1	ZINC000413871957	679305723	/nfs/dbraw/zinc/30/57/23/679305723.db2.gz	DQGPEQFHWTVHOU-GOSISDBHSA-N	1	0	353.507	1.128	20	30		FDEDRO
C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000415375452	679418118	/nfs/dbraw/zinc/41/81/18/679418118.db2.gz	LXQKJTWTDAGCJC-LBPRGKRZSA-N	1	0	354.332	1.726	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3CCO[C@@H](C[NH3+])C3)n2)c(Cl)c1	ZINC000415447457	679432861	/nfs/dbraw/zinc/43/28/61/679432861.db2.gz	HLVQRZPGIMXMBE-LBPRGKRZSA-N	1	0	360.805	1.589	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)NC[C@@H]([NH3+])CC)c(C#N)cn1CCOC	ZINC000415487256	679438619	/nfs/dbraw/zinc/43/86/19/679438619.db2.gz	KJYWFAFFCHQCDO-LBPRGKRZSA-N	1	0	351.407	1.042	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)N[C@H](C)CC[NH3+])c(C#N)cn1CCOC	ZINC000415495831	679440022	/nfs/dbraw/zinc/44/00/22/679440022.db2.gz	ROEMULZQZHEMOX-LLVKDONJSA-N	1	0	351.407	1.042	20	30		FDEDRO
CC(C)(C)c1csc(NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)c1C#N	ZINC000415599158	679461926	/nfs/dbraw/zinc/46/19/26/679461926.db2.gz	FLFWJODMMISFJP-SNVBAGLBSA-N	1	0	350.444	1.042	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC2(C)CC[NH2+]CC2)cc1	ZINC000415599493	679462068	/nfs/dbraw/zinc/46/20/68/679462068.db2.gz	MQVNVCHNFUSHNV-CYBMUJFWSA-N	1	0	364.471	1.884	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[NH2+]C(C)(C)C2)cc1	ZINC000415603262	679463179	/nfs/dbraw/zinc/46/31/79/679463179.db2.gz	UBROETLBKHXDTC-GFCCVEGCSA-N	1	0	350.444	1.588	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1	ZINC000415606359	679463952	/nfs/dbraw/zinc/46/39/52/679463952.db2.gz	YQUFUIAUSHWLCM-GWCFXTLKSA-N	1	0	372.397	1.491	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)cc1C(F)(F)F	ZINC000415870585	679531277	/nfs/dbraw/zinc/53/12/77/679531277.db2.gz	PCUYVKUUBLBXRI-LBPRGKRZSA-N	1	0	354.332	1.774	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)n1	ZINC000415966318	679538938	/nfs/dbraw/zinc/53/89/38/679538938.db2.gz	GJFJZOXFSKDDGF-UHFFFAOYSA-N	1	0	353.308	1.449	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC2)c1	ZINC000415998635	679542157	/nfs/dbraw/zinc/54/21/57/679542157.db2.gz	URGRIKMRCUJSNO-GFCCVEGCSA-N	1	0	356.352	1.065	20	30		FDEDRO
C=CCn1cc(CNC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)nn1	ZINC000424916545	680862396	/nfs/dbraw/zinc/86/23/96/680862396.db2.gz	LSHZPMURXHUDDO-CHWSQXEVSA-N	1	0	359.396	1.989	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1	ZINC000416393864	679602588	/nfs/dbraw/zinc/60/25/88/679602588.db2.gz	VYCXRHGCLQWJNY-GJZGRUSLSA-N	1	0	351.472	1.718	20	30		FDEDRO
C[NH+](C)CCCNC(=O)C(=O)Nc1cccc(C#N)c1Br	ZINC000419625831	680297353	/nfs/dbraw/zinc/29/73/53/680297353.db2.gz	BIZWEHBDELLSJK-UHFFFAOYSA-N	1	0	353.220	1.327	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1Br	ZINC000420448688	680456432	/nfs/dbraw/zinc/45/64/32/680456432.db2.gz	JOZSRNREMWFSMX-GWCFXTLKSA-N	1	0	358.261	1.726	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1	ZINC000420453237	680459434	/nfs/dbraw/zinc/45/94/34/680459434.db2.gz	CUAZOQOZTQWOAN-GXTWGEPZSA-N	1	0	364.427	1.619	20	30		FDEDRO
C[C@@H]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)C[C@@H]1C[NH3+]	ZINC000420473092	680466948	/nfs/dbraw/zinc/46/69/48/680466948.db2.gz	CTVGUGPRRZHKGE-MNOVXSKESA-N	1	0	372.288	1.926	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N1CCC(OCC[NH+](C)C)CC1	ZINC000474117909	685370394	/nfs/dbraw/zinc/37/03/94/685370394.db2.gz	YANVLPDEMVGUBF-UHFFFAOYSA-N	1	0	351.472	1.598	20	30		FDEDRO
CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC000421352103	680655681	/nfs/dbraw/zinc/65/56/81/680655681.db2.gz	CWQRUQWCHVZZTN-HNNXBMFYSA-N	1	0	354.451	1.448	20	30		FDEDRO
CC(C)[C@H](CNC(=O)C(=O)NCC(C)(C)CC#N)[NH+]1CCC(C)CC1	ZINC000421516147	680662062	/nfs/dbraw/zinc/66/20/62/680662062.db2.gz	HADFWXSSZGWQQK-INIZCTEOSA-N	1	0	350.507	1.915	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccn(CCC(F)(F)F)n1	ZINC000425705894	680919095	/nfs/dbraw/zinc/91/90/95/680919095.db2.gz	CXHMZBQEPOGCAY-UHFFFAOYSA-N	1	0	360.384	2.535	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N(CC)CCC[NH+]1CCCC1	ZINC000430385462	681074484	/nfs/dbraw/zinc/07/44/84/681074484.db2.gz	MBWHFOCZBPFHAN-DLBZAZTESA-N	1	0	351.491	1.418	20	30		FDEDRO
CN(CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)CC(C)(C)C#N	ZINC000433289830	681178566	/nfs/dbraw/zinc/17/85/66/681178566.db2.gz	RFSBSLHHNZTGQP-UHFFFAOYSA-N	1	0	350.507	1.619	20	30		FDEDRO
C=C(C)COCCNC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1	ZINC000433797189	681215467	/nfs/dbraw/zinc/21/54/67/681215467.db2.gz	UDYWANUAUPOCKW-UHFFFAOYSA-N	1	0	352.523	1.779	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)CC1	ZINC000434922848	681542322	/nfs/dbraw/zinc/54/23/22/681542322.db2.gz	NISUEIRJPUNVCX-LBPRGKRZSA-N	1	0	362.499	1.973	20	30		FDEDRO
C[NH+](C)C1(CNS(=O)(=O)c2ccc(C#N)s2)Cc2ccccc2C1	ZINC000435445719	681595065	/nfs/dbraw/zinc/59/50/65/681595065.db2.gz	GRHMXWSKWPIPPV-UHFFFAOYSA-N	1	0	361.492	1.997	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(CS(C)(=O)=O)cc1	ZINC000444388392	682407514	/nfs/dbraw/zinc/40/75/14/682407514.db2.gz	FDENBMQLVQGYJL-UHFFFAOYSA-N	1	0	366.487	1.930	20	30		FDEDRO
Cn1cc([C@H](NC(=O)N(CCC#N)CCC[NH+](C)C)C(F)(F)F)cn1	ZINC000446523606	682498715	/nfs/dbraw/zinc/49/87/15/682498715.db2.gz	RGHXILCMNGOWFP-ZDUSSCGKSA-N	1	0	360.384	1.900	20	30		FDEDRO
N#Cc1c(NC(=O)C[NH2+][C@@H](CO)[C@@H]2CCCO2)sc2c1CCCCC2	ZINC000447916088	682578172	/nfs/dbraw/zinc/57/81/72/682578172.db2.gz	NZVPBRJRRJRNFL-GJZGRUSLSA-N	1	0	363.483	1.957	20	30		FDEDRO
C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H]1C[NH2+]CCN1C	ZINC000449693770	682700839	/nfs/dbraw/zinc/70/08/39/682700839.db2.gz	FGSLGWSGWTVCSV-CYBMUJFWSA-N	1	0	357.376	1.904	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)CC(C)(C)CC#N)CCN1C1CC[NH+](C)CC1	ZINC000451360056	682869500	/nfs/dbraw/zinc/86/95/00/682869500.db2.gz	KAOYFUVIHDZFTI-HNNXBMFYSA-N	1	0	356.536	1.356	20	30		FDEDRO
CO[C@@H]1[C@H](C)[C@H]([NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1(C)C	ZINC000451491794	682888184	/nfs/dbraw/zinc/88/81/84/682888184.db2.gz	CCKHFDCWXAMTDX-XYVMCAHJSA-N	1	0	350.507	1.328	20	30		FDEDRO
CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1(C)C	ZINC000451491791	682888257	/nfs/dbraw/zinc/88/82/57/682888257.db2.gz	CCKHFDCWXAMTDX-CYGHRXIMSA-N	1	0	350.507	1.328	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@](CO)(COC)C1	ZINC000451936744	682974481	/nfs/dbraw/zinc/97/44/81/682974481.db2.gz	UAFKALGJABMTDK-YJBOKZPZSA-N	1	0	352.500	1.982	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC(C)(C)C[NH+]2CCCC2)c1	ZINC000452077978	683018261	/nfs/dbraw/zinc/01/82/61/683018261.db2.gz	CSVOFVFXKNRSSZ-UHFFFAOYSA-N	1	0	365.499	1.755	20	30		FDEDRO
Cc1nc(SCC(=O)NCC[NH+]2CCC(O)CC2)c(C#N)c(C)c1C	ZINC000456582742	683649137	/nfs/dbraw/zinc/64/91/37/683649137.db2.gz	CINCJHZRNAQAKI-UHFFFAOYSA-N	1	0	362.499	1.544	20	30		FDEDRO
COCC[C@@H](C)S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000463700047	684703697	/nfs/dbraw/zinc/70/36/97/684703697.db2.gz	GZDKPYAECKZRPK-OAHLLOKOSA-N	1	0	353.488	1.677	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)C(=O)NC1(C#N)CCC1	ZINC000469319903	684962566	/nfs/dbraw/zinc/96/25/66/684962566.db2.gz	SAYKEZMBTZWEDX-CABCVRRESA-N	1	0	362.499	1.662	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)C(=O)NC2(C#N)CCC2)[C@@H](C)C1	ZINC000469793325	684986309	/nfs/dbraw/zinc/98/63/09/684986309.db2.gz	CXOWDEPZVBZNLX-ULQDDVLXSA-N	1	0	350.507	1.664	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC1CC[NH+](CCC)CC1	ZINC000477638360	685869112	/nfs/dbraw/zinc/86/91/12/685869112.db2.gz	CPPOHCHWTBTSFK-IRXDYDNUSA-N	1	0	351.491	1.322	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]([C@@H](C)CO)C2CCCC2)CC1	ZINC000477637128	685869266	/nfs/dbraw/zinc/86/92/66/685869266.db2.gz	NWKKGQPVSBWKGP-WMZOPIPTSA-N	1	0	350.507	1.304	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1	ZINC000478759450	685920598	/nfs/dbraw/zinc/92/05/98/685920598.db2.gz	HWEFJZUPZIHAPB-QGZVFWFLSA-N	1	0	350.488	1.577	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2F)C[C@@H]1[NH+](C)C	ZINC000480723511	686214036	/nfs/dbraw/zinc/21/40/36/686214036.db2.gz	ZRWSLMRQKQEMLT-LSDHHAIUSA-N	1	0	357.476	1.505	20	30		FDEDRO
C=C[C@H]1CCCC[N@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000489470358	687099869	/nfs/dbraw/zinc/09/98/69/687099869.db2.gz	CYXCWWJYXMIYHA-HNNXBMFYSA-N	1	0	351.472	1.033	20	30		FDEDRO
CC[C@]1(O)CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1	ZINC000495263836	687613869	/nfs/dbraw/zinc/61/38/69/687613869.db2.gz	VOROMETUJGJRJE-YJBOKZPZSA-N	1	0	362.499	1.304	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)c1	ZINC000498555463	687810478	/nfs/dbraw/zinc/81/04/78/687810478.db2.gz	QNTIIOLLNUUGJM-CABCVRRESA-N	1	0	365.499	1.706	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)cc1	ZINC000498568538	687814637	/nfs/dbraw/zinc/81/46/37/687814637.db2.gz	VDXBCXPGOWRUHY-CABCVRRESA-N	1	0	365.499	1.706	20	30		FDEDRO
N#Cc1ccc(F)c(CS(=O)(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c1	ZINC000500969309	688145267	/nfs/dbraw/zinc/14/52/67/688145267.db2.gz	UZJLSASLNAXBJV-MRXNPFEDSA-N	1	0	369.462	1.354	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2CS(N)(=O)=O)cc1Cl	ZINC000510658321	689405016	/nfs/dbraw/zinc/40/50/16/689405016.db2.gz	NFMDGWKOIOSWNT-CYBMUJFWSA-N	1	0	370.862	1.293	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1C(F)(F)F	ZINC000516768987	689988389	/nfs/dbraw/zinc/98/83/89/689988389.db2.gz	KYJMTMTWMQACAA-NEPJUHHUSA-N	1	0	359.373	1.807	20	30		FDEDRO
COC1CC[NH+](C2(CNC(=O)N3CCO[C@@H](C#N)C3)CCCC2)CC1	ZINC000517422379	690065308	/nfs/dbraw/zinc/06/53/08/690065308.db2.gz	UABFRUYHUCODPQ-INIZCTEOSA-N	1	0	350.463	1.344	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1	ZINC000517697286	690088263	/nfs/dbraw/zinc/08/82/63/690088263.db2.gz	LPDMBVXBVIRGLH-MRXNPFEDSA-N	1	0	363.483	1.460	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1COc2cc(F)c(Br)cc21	ZINC000519770287	690264102	/nfs/dbraw/zinc/26/41/02/690264102.db2.gz	UHDFQPSVRFGLPZ-HZMBPMFUSA-N	1	0	372.238	1.818	20	30		FDEDRO
CC(C)C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CCO1	ZINC000521865094	694442475	/nfs/dbraw/zinc/44/24/75/694442475.db2.gz	PGLMMQGBCQQUAX-HOTGVXAUSA-N	1	0	351.472	1.910	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NCC[N@H+]2CC[C@@H](C)C2)c1	ZINC000525307431	694605977	/nfs/dbraw/zinc/60/59/77/694605977.db2.gz	DZFGPSRTYJCPCQ-CQSZACIVSA-N	1	0	351.472	1.223	20	30		FDEDRO
C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CCN(S(C)(=O)=O)CC1	ZINC000639784510	695498923	/nfs/dbraw/zinc/49/89/23/695498923.db2.gz	NLLGLZDGCUCFGD-HOCLYGCPSA-N	1	0	357.520	1.251	20	30		FDEDRO
C=CCSc1ccccc1NC(=O)Cn1cc(C[C@H]([NH3+])COC)nn1	ZINC000640860224	695635558	/nfs/dbraw/zinc/63/55/58/695635558.db2.gz	KECWPPCLTAMAQS-ZDUSSCGKSA-N	1	0	361.471	1.711	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1N1CCOC2(CC[NH+](C)CC2)C1	ZINC000641649106	696186260	/nfs/dbraw/zinc/18/62/60/696186260.db2.gz	XSYIQJIVBLMVHZ-UHFFFAOYSA-N	1	0	365.499	1.452	20	30		FDEDRO
N#Cc1cc(C(F)(F)N2CC(=O)NC3(CC[NH2+]CC3)C2)cnc1Cl	ZINC001164390018	718809353	/nfs/dbraw/zinc/80/93/53/718809353.db2.gz	NROXXIHEDLHHJR-UHFFFAOYSA-N	1	0	355.776	1.210	20	30		FDEDRO
N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCN2CC[NH2+]C[C@H]2C1	ZINC001164390671	718829307	/nfs/dbraw/zinc/82/93/07/718829307.db2.gz	GBUUSZYKBHSVAJ-VIFPVBQESA-N	1	0	362.211	1.899	20	30		FDEDRO
CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(Cl)ncc1C#N	ZINC001164617241	719015098	/nfs/dbraw/zinc/01/50/98/719015098.db2.gz	NMJSRPOVLMIJKS-ICCXJUOJSA-N	1	0	370.787	1.881	20	30		FDEDRO
CCOC(=O)c1cc(C#N)c(Cl)nc1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C	ZINC001164665169	719383492	/nfs/dbraw/zinc/38/34/92/719383492.db2.gz	FQRJGHAIBZVMEK-OLZOCXBDSA-N	1	0	350.806	1.303	20	30		FDEDRO
Cc1nc(C#N)cnc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1	ZINC001164828885	720333254	/nfs/dbraw/zinc/33/32/54/720333254.db2.gz	KEVSNKDNEHWPHK-MSOLQXFVSA-N	1	0	368.485	1.568	20	30		FDEDRO
N#Cc1ncc(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164739102	720646780	/nfs/dbraw/zinc/64/67/80/720646780.db2.gz	FDGILDXVSUDBRB-VXGBXAGGSA-N	1	0	357.805	1.134	20	30		FDEDRO
C=CCOc1cc(C)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1	ZINC001164741578	720701811	/nfs/dbraw/zinc/70/18/11/720701811.db2.gz	UGSOKQYULBWILY-CVEARBPZSA-N	1	0	368.441	1.482	20	30		FDEDRO
N#Cc1cc2nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)ccc2[nH]1	ZINC001164739916	720751758	/nfs/dbraw/zinc/75/17/58/720751758.db2.gz	JSVOSBOUMAPBHQ-HUUCEWRRSA-N	1	0	361.409	1.566	20	30		FDEDRO
C=CCOc1cc(C)nc(N2CC[C@H]3C[N@H+](CCOC)CCO[C@@H]3C2)n1	ZINC001164851554	720856931	/nfs/dbraw/zinc/85/69/31/720856931.db2.gz	AXXVLRVNPPWVCC-DLBZAZTESA-N	1	0	362.474	1.523	20	30		FDEDRO
Cc1nc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)ccc1C#N	ZINC001164749214	720959562	/nfs/dbraw/zinc/95/95/62/720959562.db2.gz	BFYLSROEMXFRNS-UHFFFAOYSA-N	1	0	354.414	1.104	20	30		FDEDRO
Cc1nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)cnc1C#N	ZINC001164871043	721126979	/nfs/dbraw/zinc/12/69/79/721126979.db2.gz	DBAVMVZFOSDCOT-IAGOWNOFSA-N	1	0	350.426	1.531	20	30		FDEDRO
CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cncc(C#N)n4)C3)O2)CC1	ZINC001164889942	721392435	/nfs/dbraw/zinc/39/24/35/721392435.db2.gz	NAMWWLPMUJLBFY-MJGOQNOKSA-N	1	0	356.474	1.114	20	30		FDEDRO
Cc1ccc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)nc1C#N	ZINC001164794075	721513447	/nfs/dbraw/zinc/51/34/47/721513447.db2.gz	DPNZMKDNOJJDJV-UHFFFAOYSA-N	1	0	351.458	1.226	20	30		FDEDRO
CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncc(Cl)nc2C#N)CC1	ZINC001165007368	721732737	/nfs/dbraw/zinc/73/27/37/721732737.db2.gz	BZEQOHSGTYLGCL-UHFFFAOYSA-N	1	0	362.865	1.525	20	30		FDEDRO
CCOC(=O)c1cc(C)nc(N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)c1C#N	ZINC001164928078	721856746	/nfs/dbraw/zinc/85/67/46/721856746.db2.gz	NGGRUFXGLNKSRR-MSOLQXFVSA-N	1	0	371.485	1.653	20	30		FDEDRO
Cc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(C#N)n1	ZINC001164976351	722124479	/nfs/dbraw/zinc/12/44/79/722124479.db2.gz	LJHANEVTOLMKAA-ROUUACIJSA-N	1	0	364.453	1.779	20	30		FDEDRO
Cc1nc(C#N)cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1	ZINC001164977159	722155356	/nfs/dbraw/zinc/15/53/56/722155356.db2.gz	XTJGWQPYXHJCAV-PKOBYXMFSA-N	1	0	364.453	1.779	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(CCC(N)=O)cc1)C2	ZINC001112527845	805592900	/nfs/dbraw/zinc/59/29/00/805592900.db2.gz	ZILWVUMBVNLKGX-UGKGYDQZSA-N	1	0	367.493	1.960	20	30		FDEDRO
Cc1ccccc1CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104718723	790324869	/nfs/dbraw/zinc/32/48/69/790324869.db2.gz	KSMVTRWELHELTI-IEBWSBKVSA-N	1	0	370.497	1.642	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)ccc1F	ZINC001022726782	782681800	/nfs/dbraw/zinc/68/18/00/782681800.db2.gz	IPPOTVBAPFTSAS-CLWVCHIJSA-N	1	0	358.417	1.336	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccon2)C[C@H]1c1ccccc1	ZINC001211544149	782704404	/nfs/dbraw/zinc/70/44/04/782704404.db2.gz	VYOBWWSJHGJUMI-UWWQBHOKSA-N	1	0	368.437	1.563	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+](C)C	ZINC000969207948	769399762	/nfs/dbraw/zinc/39/97/62/769399762.db2.gz	BCMOERUINSFBLS-WKULXVSPSA-N	1	0	361.486	1.120	20	30		FDEDRO
Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2C#N)C1	ZINC001022734317	782768381	/nfs/dbraw/zinc/76/83/81/782768381.db2.gz	RCVAWTNCNABYJP-XMTFNYHQSA-N	1	0	367.428	1.971	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCCc2nc(C)no2)C1	ZINC000969693725	770674053	/nfs/dbraw/zinc/67/40/53/770674053.db2.gz	VYYURMYIYNZBEM-XKQJLSEDSA-N	1	0	362.474	1.728	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1	ZINC001020590082	770910472	/nfs/dbraw/zinc/91/04/72/770910472.db2.gz	LQDVYVBWLYTWJM-YHUYYLMFSA-N	1	0	358.417	1.158	20	30		FDEDRO
COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)cc1C#N	ZINC001020596193	770926602	/nfs/dbraw/zinc/92/66/02/770926602.db2.gz	FUDWRTLAGFHBOE-YALNPMBYSA-N	1	0	370.453	1.205	20	30		FDEDRO
C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1	ZINC001020603559	770976002	/nfs/dbraw/zinc/97/60/02/770976002.db2.gz	GUSWZTYRYVBVLN-FDYHWXHSSA-N	1	0	353.264	1.669	20	30		FDEDRO
Cn1cc([C@@H]2C[C@H]2C(=O)N2CC[C@@H]([NH2+]Cc3cc(C#N)ccc3F)C2)cn1	ZINC000970040854	771244274	/nfs/dbraw/zinc/24/42/74/771244274.db2.gz	XLFKJUSOBVLQCG-FGTMMUONSA-N	1	0	367.428	1.925	20	30		FDEDRO
COC(=O)CN(CC#N)CCC[NH+]1CCN(c2ccc(Cl)cc2)CC1	ZINC001167577457	782911434	/nfs/dbraw/zinc/91/14/34/782911434.db2.gz	UDCMRPQZYKLQJB-UHFFFAOYSA-N	1	0	364.877	1.851	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ncc3ccccn32)C[C@H]1C	ZINC001104415215	782920643	/nfs/dbraw/zinc/92/06/43/782920643.db2.gz	FYOJSWYMYSMHEC-IAGOWNOFSA-N	1	0	354.454	1.672	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2nn(C)cc2Cl)C[C@H]1C	ZINC001104233029	771439677	/nfs/dbraw/zinc/43/96/77/771439677.db2.gz	ATFULMHILAGIAR-CHWSQXEVSA-N	1	0	367.881	1.064	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2C)C1	ZINC001104236225	771460720	/nfs/dbraw/zinc/46/07/20/771460720.db2.gz	PQXNSTLZUDWQGN-DGCLKSJQSA-N	1	0	354.886	1.563	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2C(=O)CCC2=O)C1	ZINC001104239542	771599128	/nfs/dbraw/zinc/59/91/28/771599128.db2.gz	CLRKHOSPASGXQK-HZPDHXFCSA-N	1	0	363.502	1.812	20	30		FDEDRO
C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCC3(CC#N)CC3)c2)CC1	ZINC000430391471	771748992	/nfs/dbraw/zinc/74/89/92/771748992.db2.gz	ZPDXWQBKUYSQST-UHFFFAOYSA-N	1	0	369.469	1.183	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)CC2)C1	ZINC001039163344	772353783	/nfs/dbraw/zinc/35/37/83/772353783.db2.gz	ATJZTVSUPOOOLG-FGTMMUONSA-N	1	0	363.502	1.369	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)/C=C(\C)C4CC4)[C@@H]3C2)CC1	ZINC001021170047	772382744	/nfs/dbraw/zinc/38/27/44/772382744.db2.gz	NTMLQBLEQINTGE-AFFAOIEBSA-N	1	0	369.509	1.747	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCn2cncn2)C1)OCC	ZINC001104255372	772432540	/nfs/dbraw/zinc/43/25/40/772432540.db2.gz	MCCVFEZRZFAHOX-KZNAEPCWSA-N	1	0	363.506	1.724	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)c4ncoc4C)[C@@H]3C2)CC1	ZINC001021192495	772433882	/nfs/dbraw/zinc/43/38/82/772433882.db2.gz	YINXWJBKRACSEW-DLBZAZTESA-N	1	0	370.453	1.001	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@H]2O)C1	ZINC000970398784	772558717	/nfs/dbraw/zinc/55/87/17/772558717.db2.gz	MJAITKQWMNHEDR-ZACQAIPSSA-N	1	0	363.502	1.295	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1	ZINC001021235219	772582326	/nfs/dbraw/zinc/58/23/26/772582326.db2.gz	CACOXEHCOPOETO-XUVXKRRUSA-N	1	0	365.477	1.364	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CCN1c1cc[nH+]cc1	ZINC000890988844	772665705	/nfs/dbraw/zinc/66/57/05/772665705.db2.gz	HEVVNESHIZJJPN-ZDUSSCGKSA-N	1	0	367.384	1.768	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(C(N)=O)cc2)C1	ZINC000970447729	772678446	/nfs/dbraw/zinc/67/84/46/772678446.db2.gz	SAYZXJAPOJUOAT-VHSSKADRSA-N	1	0	357.454	1.313	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@H+]1CC	ZINC000298291843	772805790	/nfs/dbraw/zinc/80/57/90/772805790.db2.gz	IBRSHQFRVBFXHC-SFHVURJKSA-N	1	0	358.486	1.929	20	30		FDEDRO
Cc1cc(C#N)cc(Nc2cc(N3CCN(CCO)CC3)nc(C)n2)c1	ZINC001210387934	772974048	/nfs/dbraw/zinc/97/40/48/772974048.db2.gz	XDEIONJNMPPEAE-UHFFFAOYSA-N	1	0	352.442	1.823	20	30		FDEDRO
CC(C)c1nocc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104287094	773047719	/nfs/dbraw/zinc/04/77/19/773047719.db2.gz	UDVCVEKFXGPKEN-ZIAGYGMSSA-N	1	0	361.446	1.126	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1	ZINC001021414703	773253859	/nfs/dbraw/zinc/25/38/59/773253859.db2.gz	CHHQWRNLFQUYGQ-JCGIZDLHSA-N	1	0	369.469	1.432	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)C1	ZINC001021415227	773256876	/nfs/dbraw/zinc/25/68/76/773256876.db2.gz	LDHKHTWGYIYPGJ-WMLDXEAASA-N	1	0	369.469	1.291	20	30		FDEDRO
C#CC1(F)CN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)C1	ZINC000891169143	773516543	/nfs/dbraw/zinc/51/65/43/773516543.db2.gz	NDWZVGMPLAQICB-UHFFFAOYSA-N	1	0	367.808	1.403	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](CCC)S(N)(=O)=O)C2	ZINC001112492896	773725709	/nfs/dbraw/zinc/72/57/09/773725709.db2.gz	JTZRMMGZGQTTKT-BQFCYCMXSA-N	1	0	371.547	1.628	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1COCCN1CCCC)C2	ZINC001112492955	773732989	/nfs/dbraw/zinc/73/29/89/773732989.db2.gz	KYDJJIMDWVDMBD-ZJOUEHCJSA-N	1	0	361.530	1.729	20	30		FDEDRO
C=CCCn1cc(CNCC2(O)CC[NH+](Cc3ccccc3)CC2)nn1	ZINC000657493951	783139264	/nfs/dbraw/zinc/13/92/64/783139264.db2.gz	BFWYKFKWHSVJOB-UHFFFAOYSA-N	1	0	355.486	1.971	20	30		FDEDRO
CN(C)C(=O)c1cccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1	ZINC000275859919	774155955	/nfs/dbraw/zinc/15/59/55/774155955.db2.gz	MAVNOKMGLQOFSH-UHFFFAOYSA-N	1	0	373.457	1.021	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@]1(COC)CCOC1)C2	ZINC001112496023	774328448	/nfs/dbraw/zinc/32/84/48/774328448.db2.gz	DUYOVUCKBCEJMU-IHPCNDPISA-N	1	0	366.502	1.460	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)c4ccccn4)[C@@H]3C2)CC1	ZINC000971083531	774668065	/nfs/dbraw/zinc/66/80/65/774668065.db2.gz	OKQZIJCYLYZDSK-IEBWSBKVSA-N	1	0	366.465	1.100	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCN2c2ncccn2)C[C@H]1C	ZINC001104314137	774695367	/nfs/dbraw/zinc/69/53/67/774695367.db2.gz	GRZKIZJZXWNXAU-KZNAEPCWSA-N	1	0	355.486	1.543	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1	ZINC000277758862	783205158	/nfs/dbraw/zinc/20/51/58/783205158.db2.gz	KGWGAJWIYZFHOW-GOSISDBHSA-N	1	0	368.485	1.802	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C(C)(C)CC)CC1	ZINC000656337110	775039675	/nfs/dbraw/zinc/03/96/75/775039675.db2.gz	OSCGNPHQYXDIIE-CVEARBPZSA-N	1	0	351.491	1.417	20	30		FDEDRO
C#CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000376705363	790341312	/nfs/dbraw/zinc/34/13/12/790341312.db2.gz	FEDCSICFAWVJAL-IBGZPJMESA-N	1	0	354.498	2.000	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2ccnn2CCOC)C[C@H]1C	ZINC001104334059	775487253	/nfs/dbraw/zinc/48/72/53/775487253.db2.gz	OLMWGSYEFYVLKX-IAGOWNOFSA-N	1	0	364.490	1.420	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2onc(C)c2C)C[C@H]1C	ZINC001104335432	775504438	/nfs/dbraw/zinc/50/44/38/775504438.db2.gz	YSDDFMMQKQBAIS-DAXOMENPSA-N	1	0	362.474	1.670	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2ccc(C#N)[nH]2)nn1	ZINC001087151581	776003708	/nfs/dbraw/zinc/00/37/08/776003708.db2.gz	ZZKXFYUMVDSHRK-CJNGLKHVSA-N	1	0	368.441	1.715	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@H]4CC4(C)C)C[C@H]32)CC1	ZINC001021884375	776499564	/nfs/dbraw/zinc/49/95/64/776499564.db2.gz	XPNYXANPVMHIRR-RCCFBDPRSA-N	1	0	357.498	1.437	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnn(C)c2Cl)C[C@H]1C	ZINC001104354905	776919899	/nfs/dbraw/zinc/91/98/99/776919899.db2.gz	FHUBQGTXXZQGNC-ZIAGYGMSSA-N	1	0	352.866	1.411	20	30		FDEDRO
Cc1nsc(N(C)C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)c1C#N	ZINC000891423078	777007823	/nfs/dbraw/zinc/00/78/23/777007823.db2.gz	GQNSWDVWXJLEAS-LBPRGKRZSA-N	1	0	367.475	1.741	20	30		FDEDRO
CCc1ccc(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)cc1	ZINC001104738401	790511399	/nfs/dbraw/zinc/51/13/99/790511399.db2.gz	UGKBSMFHKPPQHE-VQIMIIECSA-N	1	0	370.497	1.505	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccnn3C3CCOCC3)[C@H]2C1	ZINC001083219539	777240191	/nfs/dbraw/zinc/24/01/91/777240191.db2.gz	BBRNDVRPADLZOP-ZWKOTPCHSA-N	1	0	360.458	1.336	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1	ZINC000178086481	777421268	/nfs/dbraw/zinc/42/12/68/777421268.db2.gz	FIVCGNIUMMZKPW-QGZVFWFLSA-N	1	0	373.432	1.145	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cnnn2C)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087160066	777601627	/nfs/dbraw/zinc/60/16/27/777601627.db2.gz	UCBQUUWXCRUTQM-PBHICJAKSA-N	1	0	352.442	1.717	20	30		FDEDRO
CC[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N[C@@H]1CCCN(c2ncccn2)C1	ZINC000176016212	777702643	/nfs/dbraw/zinc/70/26/43/777702643.db2.gz	UHDDYRGTXJHOEY-UWVAXJGDSA-N	1	0	374.533	1.942	20	30		FDEDRO
C[N@H+](Cc1ccc(OCC#N)cc1)[C@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1	ZINC000971572735	777712100	/nfs/dbraw/zinc/71/21/00/777712100.db2.gz	MENIJQWEEXGANB-ZWOKBUDYSA-N	1	0	355.438	1.658	20	30		FDEDRO
C=CCNC(=O)CN1CC[NH+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1	ZINC000659809458	790568072	/nfs/dbraw/zinc/56/80/72/790568072.db2.gz	FCAVURQIHIJDKV-KRWDZBQOSA-N	1	0	364.534	1.191	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N(C)[C@@H]3CC[N@@H+](C)C[C@@H]3C)CC2)o1	ZINC000276534840	778027580	/nfs/dbraw/zinc/02/75/80/778027580.db2.gz	FJWDAEYEXUNQTO-SUMWQHHRSA-N	1	0	359.474	1.870	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2n[nH]cc2C)C1=O	ZINC001087164843	778107088	/nfs/dbraw/zinc/10/70/88/778107088.db2.gz	RUSARUGPUBNHDK-VNQPRFMTSA-N	1	0	359.474	1.335	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1	ZINC000933436971	778128249	/nfs/dbraw/zinc/12/82/49/778128249.db2.gz	XNXHJWNRXFNFDF-MAUKXSAKSA-N	1	0	362.495	1.896	20	30		FDEDRO
C[NH+]=C(NCc1ccc(N2CCOCC2)nc1)N1CC[C@@]2(CCOC2)C1	ZINC000261957671	778240039	/nfs/dbraw/zinc/24/00/39/778240039.db2.gz	JGYWLZJPDYMUFB-LJQANCHMSA-N	1	0	359.474	1.106	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC2CCCC2)C[C@H]1c1ccccc1	ZINC001211519280	778394538	/nfs/dbraw/zinc/39/45/38/778394538.db2.gz	PUWUTJUVWQMLIZ-VQTJNVASSA-N	1	0	367.493	1.900	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2CCCCC2)C[C@H]1c1ccccc1	ZINC001211519263	778394635	/nfs/dbraw/zinc/39/46/35/778394635.db2.gz	PGWBIRFGJHHSDL-VQTJNVASSA-N	1	0	367.493	1.900	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)C[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)nc1	ZINC001022211254	778639989	/nfs/dbraw/zinc/63/99/89/778639989.db2.gz	POYMMVCVQFEXEA-ZIFCJYIRSA-N	1	0	366.465	1.078	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccnc(OC)c2)C[C@H]1C	ZINC001104379079	779103747	/nfs/dbraw/zinc/10/37/47/779103747.db2.gz	WZIIGPYLRATZBA-GDBMZVCRSA-N	1	0	360.458	1.080	20	30		FDEDRO
O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCC[NH+]1CCC(O)CC1	ZINC000891717288	779167182	/nfs/dbraw/zinc/16/71/82/779167182.db2.gz	CETOEUNXBSHEKY-UHFFFAOYSA-N	1	0	369.387	1.813	20	30		FDEDRO
C#CC[C@H](NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1	ZINC000891720858	779179629	/nfs/dbraw/zinc/17/96/29/779179629.db2.gz	PXNZMQOBPIFIFO-FJIDUMEYSA-N	1	0	368.437	1.328	20	30		FDEDRO
C[NH+]1CCN(C(C)(C)CNC(=O)N2CCC3(CC2)CC(=O)C=CO3)CC1	ZINC000891746962	779248385	/nfs/dbraw/zinc/24/83/85/779248385.db2.gz	DNUIUCDEBIXTAA-UHFFFAOYSA-N	1	0	364.490	1.060	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cnn4cccc(OC)c34)[C@H]2C1	ZINC001083225893	779441715	/nfs/dbraw/zinc/44/17/15/779441715.db2.gz	USFPSHZUYSJNSI-DOTOQJQBSA-N	1	0	356.426	1.444	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cn(-c3ccccc3)nn2)C[C@H]1C	ZINC001104382889	779662578	/nfs/dbraw/zinc/66/25/78/779662578.db2.gz	MMYUKLYEVWOEHJ-IAGOWNOFSA-N	1	0	351.454	1.978	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(=O)n(CCOC)c2)C[C@H]1C	ZINC001104384155	779702706	/nfs/dbraw/zinc/70/27/06/779702706.db2.gz	WUSZEOSJSKIVGU-IAGOWNOFSA-N	1	0	359.470	1.206	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)N3CCO[C@](C)(C#N)C3)cn2)CC1	ZINC000891863161	779832793	/nfs/dbraw/zinc/83/27/93/779832793.db2.gz	ZAJBGHIYBZCTIP-LJQANCHMSA-N	1	0	372.473	1.048	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2c(C(=O)OCC)nc3ccccn32)CC1	ZINC000891864937	779849162	/nfs/dbraw/zinc/84/91/62/779849162.db2.gz	KNQLHRLQXWJHPV-UHFFFAOYSA-N	1	0	354.410	1.795	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@](O)(C2(C(=O)OC)CCC2)C1	ZINC000933839871	779852238	/nfs/dbraw/zinc/85/22/38/779852238.db2.gz	DRWPZZYWYCAKET-UZLBHIALSA-N	1	0	366.502	1.970	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3NC(=O)c4ccccc43)[C@H]2C1	ZINC001083229572	779968177	/nfs/dbraw/zinc/96/81/77/779968177.db2.gz	GZSHUDBVTJLJAM-OKZBNKHCSA-N	1	0	355.438	1.349	20	30		FDEDRO
CC(C)(CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)C[NH+]1CCCC1	ZINC000276915609	780074110	/nfs/dbraw/zinc/07/41/10/780074110.db2.gz	PWFFLWXLXMVNBJ-UHFFFAOYSA-N	1	0	370.501	1.907	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)CC[N@@H+]1C	ZINC000971873174	780362864	/nfs/dbraw/zinc/36/28/64/780362864.db2.gz	PABZCHBNCZCMIZ-OIPACUDHSA-N	1	0	369.469	1.290	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1	ZINC000971875243	780394236	/nfs/dbraw/zinc/39/42/36/780394236.db2.gz	UBSYBXPQKKJEAS-JJRVBVJISA-N	1	0	355.442	1.044	20	30		FDEDRO
CC1CC[NH+](CC(=O)N2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)CC1	ZINC000971877313	780422329	/nfs/dbraw/zinc/42/23/29/780422329.db2.gz	VTEXWDPQVQJWJK-CRAIPNDOSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)c2cnc3c(c2)NC(=O)CO3)C[C@H]1C	ZINC001104390006	780648904	/nfs/dbraw/zinc/64/89/04/780648904.db2.gz	AWLBRAAUUJNACD-ZIAGYGMSSA-N	1	0	358.442	1.676	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2O)CC1	ZINC001025490815	790841131	/nfs/dbraw/zinc/84/11/31/790841131.db2.gz	ITINUKNXQCYYNE-QZTJIDSGSA-N	1	0	363.502	1.297	20	30		FDEDRO
C[C@@H](NC(=O)N1CCN(c2ccc(F)cc2C#N)CC1)[C@@H]1CCC[NH2+]C1	ZINC000891979704	781019155	/nfs/dbraw/zinc/01/91/55/781019155.db2.gz	AYKLQMHXTDFAKX-HUUCEWRRSA-N	1	0	359.449	1.917	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC1	ZINC000891988875	781104603	/nfs/dbraw/zinc/10/46/03/781104603.db2.gz	WSULBUVJJCNDPL-UHFFFAOYSA-N	1	0	359.470	1.659	20	30		FDEDRO
CN(CC(=O)N(CCC#N)CCC[NH+](C)C)C(=O)OCc1ccccc1	ZINC000277369064	781584118	/nfs/dbraw/zinc/58/41/18/781584118.db2.gz	DBWPWOJZDOYPSR-UHFFFAOYSA-N	1	0	360.458	1.949	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CC1	ZINC000892132615	781700396	/nfs/dbraw/zinc/70/03/96/781700396.db2.gz	PFVJKWHGZGJKFV-UHFFFAOYSA-N	1	0	350.507	1.315	20	30		FDEDRO
CN1CC[NH2+]C[C@H]1CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000414836139	790905654	/nfs/dbraw/zinc/90/56/54/790905654.db2.gz	IDCJNMKGKRAFIP-ZDUSSCGKSA-N	1	0	371.363	1.524	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2COc3ccccc3C2)C[C@H]1C	ZINC001104399266	781759387	/nfs/dbraw/zinc/75/93/87/781759387.db2.gz	AOOJROLSFQBMFS-RLLQIKCJSA-N	1	0	370.493	1.962	20	30		FDEDRO
N#Cc1ccccc1N1CCC(NC(=O)N[C@H](CC[NH3+])C(F)F)CC1	ZINC000892152120	781798472	/nfs/dbraw/zinc/79/84/72/781798472.db2.gz	QPSRPCCKQOXVCL-CQSZACIVSA-N	1	0	351.401	1.809	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCN(C(C)=O)C2)C[C@H]1C	ZINC001104399674	781802967	/nfs/dbraw/zinc/80/29/67/781802967.db2.gz	TUKVPULLFSBPNT-QRQLOZEOSA-N	1	0	365.518	1.522	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cocn2)C[C@H]1c1ccccc1	ZINC001211554924	783490167	/nfs/dbraw/zinc/49/01/67/783490167.db2.gz	IPQJNRRFYWJNKI-BHYGNILZSA-N	1	0	366.421	1.010	20	30		FDEDRO
C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)Nc1cc(F)cc(C#N)c1	ZINC000892291056	783535158	/nfs/dbraw/zinc/53/51/58/783535158.db2.gz	WDSWWCLUMZIVEP-CYBMUJFWSA-N	1	0	367.384	1.768	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)cc1	ZINC000648206795	783714686	/nfs/dbraw/zinc/71/46/86/783714686.db2.gz	MPKKYCOOVOPWGR-MRXNPFEDSA-N	1	0	363.483	1.555	20	30		FDEDRO
N#Cc1ccccc1N1CCC(NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1	ZINC000892428598	783780429	/nfs/dbraw/zinc/78/04/29/783780429.db2.gz	FOVSVSWNEGBGRY-FQEVSTJZSA-N	1	0	353.470	1.922	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3cccnc3C)C[C@H]21	ZINC000972835036	783902634	/nfs/dbraw/zinc/90/26/34/783902634.db2.gz	LLCMWNHKROZHHU-NZSAHSFTSA-N	1	0	366.465	1.161	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1	ZINC001024150350	783928940	/nfs/dbraw/zinc/92/89/40/783928940.db2.gz	OEKBURUYGZGELE-GVDBMIGSSA-N	1	0	363.502	1.009	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)C(=O)NC(N)=O)C1	ZINC001112520314	783958535	/nfs/dbraw/zinc/95/85/35/783958535.db2.gz	YQQFPBCORDBVDL-DEYYWGMASA-N	1	0	350.463	1.144	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)c1	ZINC000658402778	783983170	/nfs/dbraw/zinc/98/31/70/783983170.db2.gz	UILQEEDWOVCADM-HNNXBMFYSA-N	1	0	363.483	1.555	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1	ZINC000658466107	784067707	/nfs/dbraw/zinc/06/77/07/784067707.db2.gz	FXSLETRHWAAKOO-UHFFFAOYSA-N	1	0	373.497	1.738	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(C(N)=O)c2)C1	ZINC001024164912	784157852	/nfs/dbraw/zinc/15/78/52/784157852.db2.gz	IWUUVMDBHDQNQO-UHOSZYNNSA-N	1	0	371.481	1.705	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2nnc(CC)n2C)C1	ZINC001024165500	784173634	/nfs/dbraw/zinc/17/36/34/784173634.db2.gz	PTORRLYSTSBFEB-XHSDSOJGSA-N	1	0	361.490	1.297	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2nnc(C)s2)C1	ZINC001024165702	784174104	/nfs/dbraw/zinc/17/41/04/784174104.db2.gz	UMFMPTNTTDGDLH-ZNMIVQPWSA-N	1	0	350.488	1.766	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ccnc(OC)n2)C1	ZINC001024165596	784174210	/nfs/dbraw/zinc/17/42/10/784174210.db2.gz	SNFDMMJYVMAXAE-OIISXLGYSA-N	1	0	360.458	1.405	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCS(N)(=O)=O)C2	ZINC001112520534	784213843	/nfs/dbraw/zinc/21/38/43/784213843.db2.gz	JTFBAIFUZDLETH-ZFWWWQNUSA-N	1	0	363.911	1.026	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2cn(CC)nn2)C1	ZINC001024195374	784306721	/nfs/dbraw/zinc/30/67/21/784306721.db2.gz	BLZVBWWCQHITKB-NJAFHUGGSA-N	1	0	361.490	1.607	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C1	ZINC000658559116	784338306	/nfs/dbraw/zinc/33/83/06/784338306.db2.gz	LJMQAFWRJBAGON-MRXNPFEDSA-N	1	0	351.491	1.370	20	30		FDEDRO
CCN1CC[C@H](NC(=O)NCC#CCO)[C@H]1c1ccc(Cl)c(F)c1	ZINC000923776085	784747675	/nfs/dbraw/zinc/74/76/75/784747675.db2.gz	CNVOMCZZLQHMRG-JKSUJKDBSA-N	1	0	353.825	1.909	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001024490292	784890280	/nfs/dbraw/zinc/89/02/80/784890280.db2.gz	LGKAHRYGFSSDJD-IPELMVKDSA-N	1	0	357.454	1.833	20	30		FDEDRO
CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C	ZINC001024489802	784895274	/nfs/dbraw/zinc/89/52/74/784895274.db2.gz	DVJQIPLXNSWAEH-KZNAEPCWSA-N	1	0	358.486	1.882	20	30		FDEDRO
CC(C)[NH+]1CCN([C@H]2CCN([C@H](C)C(=O)Nc3cccc(C#N)c3)C2)CC1	ZINC000375900276	785260975	/nfs/dbraw/zinc/26/09/75/785260975.db2.gz	GFQDYJGIPMHYRS-XLIONFOSSA-N	1	0	369.513	1.986	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCn1nc(C)nc1C	ZINC001024661767	785653136	/nfs/dbraw/zinc/65/31/36/785653136.db2.gz	NLDKROZCIQQCKD-KURKYZTESA-N	1	0	361.490	1.457	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCc1cnn(C)c1	ZINC001024702468	785770488	/nfs/dbraw/zinc/77/04/88/785770488.db2.gz	VPKDFOGPXKTISQ-QYZOEREBSA-N	1	0	360.502	1.915	20	30		FDEDRO
O=C(NCC#CCO)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1	ZINC000923780555	785874710	/nfs/dbraw/zinc/87/47/10/785874710.db2.gz	HYOIQEPSFWUMMD-HNNXBMFYSA-N	1	0	355.360	1.575	20	30		FDEDRO
C=CCN(C(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)C1CC1	ZINC000785313351	805645539	/nfs/dbraw/zinc/64/55/39/805645539.db2.gz	GQFHOBGGFRBIDK-UHFFFAOYSA-N	1	0	356.470	1.944	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[C@H](C(=O)N4CCCC4)O3)[C@@H]2C1	ZINC000978707288	805680363	/nfs/dbraw/zinc/68/03/63/805680363.db2.gz	QURDHFKUJJVJHZ-IECFSIQFSA-N	1	0	361.486	1.027	20	30		FDEDRO
Cn1cc(N2CCC[C@@H](N3CC[NH+](CC(C)(C)CCC#N)CC3)C2=O)cn1	ZINC000376164326	786559662	/nfs/dbraw/zinc/55/96/62/786559662.db2.gz	DOXCAVCFEQCHTG-GOSISDBHSA-N	1	0	372.517	1.863	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NC2CC2)C1	ZINC001211734560	786587113	/nfs/dbraw/zinc/58/71/13/786587113.db2.gz	YHNWNXXGNHHYTM-RBUKOAKNSA-N	1	0	371.481	1.442	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000978734642	805724222	/nfs/dbraw/zinc/72/42/22/805724222.db2.gz	XJUSPDAYOARYIW-PWXKEOIMSA-N	1	0	357.458	1.241	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1	ZINC000431756085	786803339	/nfs/dbraw/zinc/80/33/39/786803339.db2.gz	SERLXJFIGANAMB-INIZCTEOSA-N	1	0	354.454	1.996	20	30		FDEDRO
C#C[C@H]1CCCCN1C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1	ZINC000892543821	787127415	/nfs/dbraw/zinc/12/74/15/787127415.db2.gz	IQJNNLBUOMCCKO-KRWDZBQOSA-N	1	0	369.469	1.318	20	30		FDEDRO
CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1	ZINC000376323016	787278734	/nfs/dbraw/zinc/27/87/34/787278734.db2.gz	GCORJHQMCAHRDL-BQFCYCMXSA-N	1	0	362.426	1.340	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)[C@@H]2C1	ZINC000973029389	787530285	/nfs/dbraw/zinc/53/02/85/787530285.db2.gz	RZHRFJLHQACECV-ZMSDIMECSA-N	1	0	360.502	1.858	20	30		FDEDRO
CC[NH+](CC)C[C@@H]1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1	ZINC000246097453	805799822	/nfs/dbraw/zinc/79/98/22/805799822.db2.gz	OJEXDYQUXOUTNR-RBUKOAKNSA-N	1	0	363.550	1.342	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C)[C@H](CCNCc2nc(N(C)C)no2)C1	ZINC001104552770	787744704	/nfs/dbraw/zinc/74/47/04/787744704.db2.gz	OHWKMAJCROUNOP-HZPDHXFCSA-N	1	0	361.490	1.903	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1	ZINC000978852004	805830698	/nfs/dbraw/zinc/83/06/98/805830698.db2.gz	GLGGCULCNQDYEF-JCECYMMASA-N	1	0	363.502	1.320	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1	ZINC000659082794	787961863	/nfs/dbraw/zinc/96/18/63/787961863.db2.gz	IDHIKDGOXVGRKY-SZMVWBNQSA-N	1	0	373.453	1.383	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC2)C[C@H]1c1ccccc1	ZINC001211685952	805885567	/nfs/dbraw/zinc/88/55/67/805885567.db2.gz	NEHSKHIDIHMKKV-ZGXWSNOMSA-N	1	0	367.493	1.919	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1	ZINC000973312215	788548293	/nfs/dbraw/zinc/54/82/93/788548293.db2.gz	SDTGEHAWFSLMMC-TXTZMMAHSA-N	1	0	361.486	1.073	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1	ZINC000973324059	788556118	/nfs/dbraw/zinc/55/61/18/788556118.db2.gz	VOEIGWZADRTYNB-ATIWLJMLSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1	ZINC000973325942	788614500	/nfs/dbraw/zinc/61/45/00/788614500.db2.gz	OVWRSFKHPUIHOO-VQHPVUNQSA-N	1	0	363.502	1.605	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccoc2C2CC2)C[C@H]1C	ZINC001104587656	788737445	/nfs/dbraw/zinc/73/74/45/788737445.db2.gz	ORZZDHGREWSISD-BFYDXBDKSA-N	1	0	371.481	1.983	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1	ZINC000973368326	788795987	/nfs/dbraw/zinc/79/59/87/788795987.db2.gz	WSVSMKMSROHDBJ-RWQQGDIJSA-N	1	0	371.481	1.716	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCCOC)C1	ZINC001104606745	788847706	/nfs/dbraw/zinc/84/77/06/788847706.db2.gz	CYZUAGQSHAYONK-IAGOWNOFSA-N	1	0	353.507	1.570	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCOCC)C1	ZINC001104607122	788848834	/nfs/dbraw/zinc/84/88/34/788848834.db2.gz	KUUUJTDHGLNSCW-IAGOWNOFSA-N	1	0	353.507	1.570	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc3nncn3c2)C[C@H]1c1ccccc1	ZINC001211687846	805913749	/nfs/dbraw/zinc/91/37/49/805913749.db2.gz	CDXIZYMDMVFSMX-RBUKOAKNSA-N	1	0	359.433	1.950	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2occc2CC)C[C@H]1C	ZINC001104636261	789074375	/nfs/dbraw/zinc/07/43/75/789074375.db2.gz	XGYVCRGIIBXPHB-BFYDXBDKSA-N	1	0	359.470	1.668	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(Cl)[nH]2)C[C@H]1C	ZINC001104650183	789169972	/nfs/dbraw/zinc/16/99/72/789169972.db2.gz	DORDQVFCHOKRQN-CHWSQXEVSA-N	1	0	352.866	1.658	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCS(C)(=O)=O)C1	ZINC001104699808	789520435	/nfs/dbraw/zinc/52/04/35/789520435.db2.gz	LJSIFFMFNGJHPN-VQHPVUNQSA-N	1	0	372.531	1.086	20	30		FDEDRO
C[NH+](C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)NCCn1cnc(C#N)n1	ZINC000376666772	789622675	/nfs/dbraw/zinc/62/26/75/789622675.db2.gz	LKBXMSGSNABOGL-NVXWUHKLSA-N	1	0	353.430	1.067	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCOC[C@@H]2C[C@H]2CCOC2)CC1	ZINC000892851531	791454091	/nfs/dbraw/zinc/45/40/91/791454091.db2.gz	LISXVFAZUCADSY-AEFFLSMTSA-N	1	0	351.491	1.864	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1	ZINC000365552791	791502803	/nfs/dbraw/zinc/50/28/03/791502803.db2.gz	ZOLNHPLDMANHSA-XYJFISCASA-N	1	0	352.438	1.748	20	30		FDEDRO
CCC1([NH3+])CCN(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1	ZINC000892926448	791702798	/nfs/dbraw/zinc/70/27/98/791702798.db2.gz	URLFMVVDDKKTLL-UHFFFAOYSA-N	1	0	359.478	1.046	20	30		FDEDRO
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NCC[C@H](C)[NH3+]	ZINC000415374117	792126904	/nfs/dbraw/zinc/12/69/04/792126904.db2.gz	JMVFDMYGHGEAJP-ZDUSSCGKSA-N	1	0	367.409	1.846	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)cc1	ZINC000415416238	792227878	/nfs/dbraw/zinc/22/78/78/792227878.db2.gz	NEKJBEZRWPNWMB-OAHLLOKOSA-N	1	0	370.453	1.260	20	30		FDEDRO
CCC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1	ZINC000415436434	792269740	/nfs/dbraw/zinc/26/97/40/792269740.db2.gz	JPBLWNSVQLLDGK-CQSZACIVSA-N	1	0	356.405	2.489	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1	ZINC000415445143	792280129	/nfs/dbraw/zinc/28/01/29/792280129.db2.gz	OVJZADLGYKELEO-HUUCEWRRSA-N	1	0	358.442	1.893	20	30		FDEDRO
C=CCn1c(=O)n(CC=C)c(=O)n(C[NH2+]C2(c3ccccc3)CCC2)c1=O	ZINC000728707631	792582975	/nfs/dbraw/zinc/58/29/75/792582975.db2.gz	OSIZOYOMJQVHOG-UHFFFAOYSA-N	1	0	368.437	1.170	20	30		FDEDRO
N#CC1(COC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)COC1	ZINC000893041637	792622471	/nfs/dbraw/zinc/62/24/71/792622471.db2.gz	MMUBJWKBLIPEQO-XLIONFOSSA-N	1	0	356.422	1.608	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCO[C@](C)(C#N)C2)[C@@H](C)C1	ZINC000893050761	792647356	/nfs/dbraw/zinc/64/73/56/792647356.db2.gz	NKZIJHJHHWLGDU-XYJFISCASA-N	1	0	352.479	1.447	20	30		FDEDRO
CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000415653579	792762506	/nfs/dbraw/zinc/76/25/06/792762506.db2.gz	GLELNBLAFYZOEN-OAHLLOKOSA-N	1	0	350.422	1.534	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC[NH2+]1	ZINC000415671697	792783514	/nfs/dbraw/zinc/78/35/14/792783514.db2.gz	JSQABRNRZRQFLJ-BXKDBHETSA-N	1	0	370.331	1.652	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1	ZINC000415730390	792891841	/nfs/dbraw/zinc/89/18/41/792891841.db2.gz	UHZKUJZQBQUEKA-FQEVSTJZSA-N	1	0	370.453	1.886	20	30		FDEDRO
O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1	ZINC000415772917	792956600	/nfs/dbraw/zinc/95/66/00/792956600.db2.gz	UPEGVVGFSJVGLD-FXAWDEMLSA-N	1	0	374.444	1.630	20	30		FDEDRO
CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	ZINC000415794898	793011491	/nfs/dbraw/zinc/01/14/91/793011491.db2.gz	WUYXUXWEWOPLJB-AWEZNQCLSA-N	1	0	367.409	1.846	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1	ZINC000415814204	793045454	/nfs/dbraw/zinc/04/54/54/793045454.db2.gz	CZDLGHLRYRUTNR-GJZGRUSLSA-N	1	0	356.426	1.353	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1	ZINC000415820706	793048644	/nfs/dbraw/zinc/04/86/44/793048644.db2.gz	LUUWVNBRFXXQRU-HOTGVXAUSA-N	1	0	370.453	1.744	20	30		FDEDRO
CCc1ccccc1[C@@H]([NH3+])CNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N	ZINC000415848127	793152633	/nfs/dbraw/zinc/15/26/33/793152633.db2.gz	UZKVTOYDXTVZNF-INIZCTEOSA-N	1	0	368.441	1.653	20	30		FDEDRO
C[C@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1)c1cccnc1	ZINC001104753189	793171846	/nfs/dbraw/zinc/17/18/46/793171846.db2.gz	WBKCGVMWCNNBNK-JFIYKMOQSA-N	1	0	371.485	1.289	20	30		FDEDRO
CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CC1	ZINC000415859667	793201252	/nfs/dbraw/zinc/20/12/52/793201252.db2.gz	MGACKQBDOHPKHO-MRXNPFEDSA-N	1	0	358.417	1.872	20	30		FDEDRO
CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1	ZINC000415862991	793208534	/nfs/dbraw/zinc/20/85/34/793208534.db2.gz	QPSQSISYJWWHJB-INIZCTEOSA-N	1	0	358.417	1.872	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1	ZINC000415880973	793279961	/nfs/dbraw/zinc/27/99/61/793279961.db2.gz	SRBHZOGBZBFDOC-WMZOPIPTSA-N	1	0	370.453	1.550	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@@H](F)C1CN(C(=O)OC(C)(C)C)C1	ZINC000377982081	793293406	/nfs/dbraw/zinc/29/34/06/793293406.db2.gz	GSWSHEJRGGYJMJ-HNNXBMFYSA-N	1	0	370.469	1.885	20	30		FDEDRO
N#Cc1ccc(NC(=O)CCN2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)cc1	ZINC000378009423	793383825	/nfs/dbraw/zinc/38/38/25/793383825.db2.gz	XWNBQRSZAZOLIB-RBUKOAKNSA-N	1	0	356.470	1.808	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ccccn3)C2)nn1	ZINC001104769110	793554701	/nfs/dbraw/zinc/55/47/01/793554701.db2.gz	DMFVWFVDSUGGLH-HZPDHXFCSA-N	1	0	354.458	1.747	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1C	ZINC001104768035	793561272	/nfs/dbraw/zinc/56/12/72/793561272.db2.gz	IPLWNQBEBCOXCJ-HUUCEWRRSA-N	1	0	359.536	1.355	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1C	ZINC001104768217	793562259	/nfs/dbraw/zinc/56/22/59/793562259.db2.gz	JXHQCVUDUWOGCA-DGCLKSJQSA-N	1	0	365.927	1.141	20	30		FDEDRO
Cc1ccc([C@@H](C)C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)o1	ZINC001104768604	793562806	/nfs/dbraw/zinc/56/28/06/793562806.db2.gz	RKUGWTXTGSENJS-FVQBIDKESA-N	1	0	360.458	1.406	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(N)=O)C2)cc1	ZINC001104768867	793563815	/nfs/dbraw/zinc/56/38/15/793563815.db2.gz	SYLXPYWYMFSMKS-BFYDXBDKSA-N	1	0	357.454	1.260	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnnn2C)C1	ZINC001104782563	793632571	/nfs/dbraw/zinc/63/25/71/793632571.db2.gz	ILHWXALWCFEGQL-LMSBXDPUSA-N	1	0	361.490	1.371	20	30		FDEDRO
C=CCNC(=O)CN1CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1	ZINC000416123002	793663939	/nfs/dbraw/zinc/66/39/39/793663939.db2.gz	KTPZOLBOBNLPNF-SFHVURJKSA-N	1	0	358.486	1.126	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cccn3ccnc23)C[C@H]1C	ZINC001104791171	793688389	/nfs/dbraw/zinc/68/83/89/793688389.db2.gz	QQCPIIVXFIOBRI-HZPDHXFCSA-N	1	0	369.469	1.324	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1CC[NH2+]Cc1cc(C#N)ccc1F	ZINC001104791140	793688548	/nfs/dbraw/zinc/68/85/48/793688548.db2.gz	OZUYQOZCURIYQH-UKRRQHHQSA-N	1	0	370.432	1.714	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1C#N	ZINC000378206225	793708670	/nfs/dbraw/zinc/70/86/70/793708670.db2.gz	YNXBSSSHVVTHEM-KRWDZBQOSA-N	1	0	370.453	1.981	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H](C)CNc1ncnc2c1CN(C)CC2	ZINC001104808583	793799870	/nfs/dbraw/zinc/79/98/70/793799870.db2.gz	WMAZCVGQGYRGSW-VBQJREDUSA-N	1	0	359.474	1.314	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)CC1	ZINC000378261790	793818327	/nfs/dbraw/zinc/81/83/27/793818327.db2.gz	LCKJLDWRDKATOU-IIBYNOLFSA-N	1	0	362.433	1.204	20	30		FDEDRO
N#CCSCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC[C@@H]2CCCO2)C1	ZINC001112053051	793859836	/nfs/dbraw/zinc/85/98/36/793859836.db2.gz	PIJSIWRJVBYXPB-YNEHKIRRSA-N	1	0	365.421	1.791	20	30		FDEDRO
N#CCSCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CCOCC2)C1	ZINC001112052926	793868106	/nfs/dbraw/zinc/86/81/06/793868106.db2.gz	JKBAOVBYPXKWKZ-CHWSQXEVSA-N	1	0	365.421	1.649	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2nc3ncccn3n2)C[C@H]1C	ZINC001104817097	793874568	/nfs/dbraw/zinc/87/45/68/793874568.db2.gz	XUKAKDJPXOVNDA-HUUCEWRRSA-N	1	0	358.446	1.015	20	30		FDEDRO
N#CCSCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC[C@@H]2CCOC2)C1	ZINC001112053148	793879729	/nfs/dbraw/zinc/87/97/29/793879729.db2.gz	VKBSAOOLHXVMGP-JHJVBQTASA-N	1	0	365.421	1.649	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1	ZINC000378318114	793938077	/nfs/dbraw/zinc/93/80/77/793938077.db2.gz	WQYPOSXWCNQYRR-LPHOPBHVSA-N	1	0	371.485	1.277	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cccc3nc[nH]c32)C[C@H]1C	ZINC001104829237	793952837	/nfs/dbraw/zinc/95/28/37/793952837.db2.gz	UXTVNJAIQKTIEP-HUUCEWRRSA-N	1	0	367.453	1.000	20	30		FDEDRO
CCCn1ncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C2)c1C	ZINC001104832919	793966013	/nfs/dbraw/zinc/96/60/13/793966013.db2.gz	CAVNXPMSLUHAEA-SJLPKXTDSA-N	1	0	360.502	1.939	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC[C@H]2CCCOC2)C[C@H]1C	ZINC001104851601	794066583	/nfs/dbraw/zinc/06/65/83/794066583.db2.gz	ZRUGXYJLCWPMQI-KZNAEPCWSA-N	1	0	363.502	1.017	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCC2)C[C@H]1C	ZINC001104855314	794074988	/nfs/dbraw/zinc/07/49/88/794074988.db2.gz	GPWHOZXEQMPISE-TZMCWYRMSA-N	1	0	362.923	1.780	20	30		FDEDRO
C=C(Br)C[NH2+]CC[C@@H]1CN(C(=O)Cc2nonc2C)C[C@H]1C	ZINC001104859973	794101214	/nfs/dbraw/zinc/10/12/14/794101214.db2.gz	KNHIWJJJMDNBFJ-ZWNOBZJWSA-N	1	0	371.279	1.903	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CC)C[C@H]1C	ZINC001104882390	794196490	/nfs/dbraw/zinc/19/64/90/794196490.db2.gz	XGDWQFTUNDADEN-KURKYZTESA-N	1	0	365.518	1.664	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)C[C@H](C)N2CCCC2=O)C[C@H]1C	ZINC001104902432	794310716	/nfs/dbraw/zinc/31/07/16/794310716.db2.gz	TYFRUBIPQFTPPR-FGTMMUONSA-N	1	0	363.502	1.111	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1	ZINC001058810162	806322073	/nfs/dbraw/zinc/32/20/73/806322073.db2.gz	JHLILPLMZJFAJZ-MXASKKJJSA-N	1	0	354.458	1.177	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CCNCc3noc(CC)n3)C2)nc1	ZINC001104923796	794418807	/nfs/dbraw/zinc/41/88/07/794418807.db2.gz	XHYQTBOIDZYQKZ-GDBMZVCRSA-N	1	0	367.453	1.896	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC3CC3)C2)cn1	ZINC001104927882	794436614	/nfs/dbraw/zinc/43/66/14/794436614.db2.gz	YZUJAJRWVOJKNW-GDBMZVCRSA-N	1	0	354.454	1.029	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C)cc2OC)C[C@H]1C	ZINC001104928828	794440447	/nfs/dbraw/zinc/44/04/47/794440447.db2.gz	LRGBJFHHWPZJBC-IAGOWNOFSA-N	1	0	371.481	1.441	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@H]1C	ZINC001104941951	794499513	/nfs/dbraw/zinc/49/95/13/794499513.db2.gz	XTHUTIPNEAGWOU-GDBMZVCRSA-N	1	0	361.873	1.777	20	30		FDEDRO
CN1CCC(CNC(=O)N2CCO[C@](C)(C#N)C2)([NH+]2CCCCC2)CC1	ZINC000893266637	794523371	/nfs/dbraw/zinc/52/33/71/794523371.db2.gz	ICUUSRMXWKFBPD-GOSISDBHSA-N	1	0	363.506	1.261	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]cnc2C)C[C@H]1C	ZINC001104954997	794554140	/nfs/dbraw/zinc/55/41/40/794554140.db2.gz	DBYZKAZKJKMCSS-FVQBIDKESA-N	1	0	361.490	1.026	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000974179741	794652940	/nfs/dbraw/zinc/65/29/40/794652940.db2.gz	AYUSZOVSBDALST-MVJTYMMSSA-N	1	0	368.437	1.693	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccccc2F)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104971235	794659185	/nfs/dbraw/zinc/65/91/85/794659185.db2.gz	GARAWAYMMLZVBM-GDBMZVCRSA-N	1	0	360.433	1.082	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CCOCC2)C1	ZINC001112068768	794702756	/nfs/dbraw/zinc/70/27/56/794702756.db2.gz	OWUSIYJSUIQILZ-ZIAGYGMSSA-N	1	0	350.381	1.595	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cn1	ZINC000974191076	794704749	/nfs/dbraw/zinc/70/47/49/794704749.db2.gz	UUIGOQXLRDFQPQ-XWTMOSNGSA-N	1	0	354.454	1.170	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)Cc2ccccc2)C[C@H]1C	ZINC001104980383	794728391	/nfs/dbraw/zinc/72/83/91/794728391.db2.gz	IOZUZEFTHGSLKP-IEBWSBKVSA-N	1	0	357.498	1.996	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H](CN(C)c3cnc(C#N)cn3)C2)CC[N@@H+]1C	ZINC001058708113	794739495	/nfs/dbraw/zinc/73/94/95/794739495.db2.gz	BYZUDKGRJSGCFK-BFYDXBDKSA-N	1	0	356.474	1.363	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2csc(C)n2)C[C@H]1C	ZINC001104986531	794742961	/nfs/dbraw/zinc/74/29/61/794742961.db2.gz	HVWOBCXSGZMJIJ-UKRRQHHQSA-N	1	0	364.515	1.370	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc3c(c2)CCC3)C[C@H]1C	ZINC001104995868	794789659	/nfs/dbraw/zinc/78/96/59/794789659.db2.gz	HONUVMMTHYXRSZ-OXQOHEQNSA-N	1	0	367.493	1.613	20	30		FDEDRO
COC(=O)[C@H]1CN(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC[N@H+](C)C1	ZINC000416934203	794796507	/nfs/dbraw/zinc/79/65/07/794796507.db2.gz	RZYNJANBMQCSLU-OAHLLOKOSA-N	1	0	374.441	1.914	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CCCOC2)C[C@H]1C	ZINC001105021347	794948359	/nfs/dbraw/zinc/94/83/59/794948359.db2.gz	QXSTVMWGBSLQTF-IXDOHACOSA-N	1	0	351.491	1.180	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)[C@@H](C)CC)C[C@H]1C	ZINC001105025215	794965568	/nfs/dbraw/zinc/96/55/68/794965568.db2.gz	QCHDUBQHQSNJQZ-GVDBMIGSSA-N	1	0	353.507	1.426	20	30		FDEDRO
Cc1cc(NC(=O)NCC2CC[NH+](CCO)CC2)c(C#N)cc1N(C)C	ZINC000417123571	794986179	/nfs/dbraw/zinc/98/61/79/794986179.db2.gz	CJQDOQYARVEAIV-UHFFFAOYSA-N	1	0	359.474	1.759	20	30		FDEDRO
CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C1)N1CCCC1=O	ZINC001105033542	795012842	/nfs/dbraw/zinc/01/28/42/795012842.db2.gz	ALWYSRLXOIOYJJ-KURKYZTESA-N	1	0	363.502	1.111	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)Cc2ccccc2)C[C@H]1C	ZINC001105044523	795049035	/nfs/dbraw/zinc/04/90/35/795049035.db2.gz	PFYKRWQNLHSRSG-NLWGTHIKSA-N	1	0	369.509	1.689	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1	ZINC000974295979	795089192	/nfs/dbraw/zinc/08/91/92/795089192.db2.gz	PMIXWDVRGNAQKW-WKULXVSPSA-N	1	0	363.502	1.461	20	30		FDEDRO
C=C/C(C)=C\CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC#N)C1	ZINC001211653315	795187627	/nfs/dbraw/zinc/18/76/27/795187627.db2.gz	MGGDSQUSOQVNNX-KFMUGMCPSA-N	1	0	366.465	1.733	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCN(CC)C2=O)C1	ZINC001105089881	795232388	/nfs/dbraw/zinc/23/23/88/795232388.db2.gz	AASIKPWURAOWKT-BRWVUGGUSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](C)COC)C1	ZINC001112079601	795232989	/nfs/dbraw/zinc/23/29/89/795232989.db2.gz	PQEPWYSIBXVDSJ-MGPQQGTHSA-N	1	0	352.397	1.983	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(CC)CC)C1	ZINC001105090096	795233642	/nfs/dbraw/zinc/23/36/42/795233642.db2.gz	JDDODTFYLFNHGO-IAGOWNOFSA-N	1	0	367.534	1.958	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2C(C)C)C1	ZINC001105090330	795234446	/nfs/dbraw/zinc/23/44/46/795234446.db2.gz	QYNUWNJXWMARJN-BZUAXINKSA-N	1	0	364.494	1.419	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cc(OC)no2)C1	ZINC001105090479	795234934	/nfs/dbraw/zinc/23/49/34/795234934.db2.gz	XBLFLCANYNVEEM-HUUCEWRRSA-N	1	0	351.447	1.850	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2ccco2)C[C@H]1c1ccccc1	ZINC001211692695	806398522	/nfs/dbraw/zinc/39/85/22/806398522.db2.gz	GXGIVHBETJSCPJ-RBUKOAKNSA-N	1	0	365.433	1.156	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2CC(F)(F)C2)C[C@H]1C(F)(F)F	ZINC001112079560	795241884	/nfs/dbraw/zinc/24/18/84/795241884.db2.gz	OPFQYKDWPPPRPB-VXGBXAGGSA-N	1	0	354.319	1.660	20	30		FDEDRO
C=C(Br)C[NH2+]CC[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1C	ZINC001105100451	795290758	/nfs/dbraw/zinc/29/07/58/795290758.db2.gz	TZGPNRRJUGFGTD-DGCLKSJQSA-N	1	0	360.296	1.625	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)CCNC(=O)CC(C)C)C[C@H]1C	ZINC001105111742	795323787	/nfs/dbraw/zinc/32/37/87/795323787.db2.gz	NVTIHWCPVVECRW-QZTJIDSGSA-N	1	0	365.518	1.263	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cc(C(N)=O)ccn2)C[C@H]1C	ZINC001105124069	795356395	/nfs/dbraw/zinc/35/63/95/795356395.db2.gz	KQRAKISIXUZVHT-GDBMZVCRSA-N	1	0	360.458	1.071	20	30		FDEDRO
CN(C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1CC[NH2+]CC1	ZINC000418011810	795460558	/nfs/dbraw/zinc/46/05/58/795460558.db2.gz	RIRPDJOCCAASRL-QGZVFWFLSA-N	1	0	355.442	1.447	20	30		FDEDRO
C[C@@]1(C[NH3+])CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000418015027	795462836	/nfs/dbraw/zinc/46/28/36/795462836.db2.gz	VLQGSMZYZOKMHV-APWZRJJASA-N	1	0	355.442	1.434	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCN(c3ccc(C)cc3)C2=O)CC1	ZINC000364248742	795521312	/nfs/dbraw/zinc/52/13/12/795521312.db2.gz	AXVUNRLEHINSLN-IBGZPJMESA-N	1	0	353.466	1.952	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC2(C(=O)OC(C)(C)C)CCOCC2)CC1	ZINC000843667259	795562473	/nfs/dbraw/zinc/56/24/73/795562473.db2.gz	MTOGRUHKOONISV-UHFFFAOYSA-N	1	0	364.486	1.586	20	30		FDEDRO
CCCNC(=O)CN1CCC([NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)CC1	ZINC000364289697	795605831	/nfs/dbraw/zinc/60/58/31/795605831.db2.gz	KDYSCYXFRHLHOZ-HCXYKTFWSA-N	1	0	362.518	1.806	20	30		FDEDRO
O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1CC(=O)N(c2cn[nH]c2)C1	ZINC000330090341	795690872	/nfs/dbraw/zinc/69/08/72/795690872.db2.gz	WQTLUYCRUSECKJ-KGLIPLIRSA-N	1	0	361.446	1.220	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1ccn(-c2cc[nH+]cc2)n1	ZINC001026623933	795740132	/nfs/dbraw/zinc/74/01/32/795740132.db2.gz	PBAUBBJIDQYOKV-RDTXWAMCSA-N	1	0	363.421	1.257	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCC(=O)NC1(C#N)CCCCC1	ZINC000364347616	795795873	/nfs/dbraw/zinc/79/58/73/795795873.db2.gz	OFEMHFXWDBFHDS-SQNIBIBYSA-N	1	0	362.518	1.808	20	30		FDEDRO
N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)CC1	ZINC000418355860	795820778	/nfs/dbraw/zinc/82/07/78/795820778.db2.gz	BPOMWDWBMLDIOG-ZDUSSCGKSA-N	1	0	370.413	1.390	20	30		FDEDRO
Cc1ccc(-n2nc(CCCNC(=O)NCCC[NH3+])c(C#N)c2N)cc1	ZINC000418365485	795823558	/nfs/dbraw/zinc/82/35/58/795823558.db2.gz	XUFRXSWLQDNSLX-UHFFFAOYSA-N	1	0	355.446	1.215	20	30		FDEDRO
C=CCCC1(C(=O)N(CCO)CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1	ZINC001058728365	795885394	/nfs/dbraw/zinc/88/53/94/795885394.db2.gz	RFMZZFMNZQJJOI-DLBZAZTESA-N	1	0	365.518	1.400	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)CC1	ZINC000408100240	795932954	/nfs/dbraw/zinc/93/29/54/795932954.db2.gz	VFFWOGUJLWCGNF-QYZOEREBSA-N	1	0	361.534	1.237	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CC[C@@H](C)F)nn2)C1	ZINC001105328437	796099754	/nfs/dbraw/zinc/09/97/54/796099754.db2.gz	DXBLMCKRUYQTRW-WQVCFCJDSA-N	1	0	351.426	1.090	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nc1	ZINC000979888494	806580524	/nfs/dbraw/zinc/58/05/24/806580524.db2.gz	ZCVJPCPLUKCVKG-LSTDLKDCSA-N	1	0	368.481	1.418	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3CCC)C2)CC1	ZINC000979915173	806602236	/nfs/dbraw/zinc/60/22/36/806602236.db2.gz	PPVBEXAOUOJNEE-NXWXRZEISA-N	1	0	359.514	1.779	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)CCC[NH2+]1	ZINC000662460533	806684963	/nfs/dbraw/zinc/68/49/63/806684963.db2.gz	VXLUNBHEDJXQLF-KRWDZBQOSA-N	1	0	351.472	1.251	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCN(C(=O)c3ccc(OC)cc3)CC2)CCC[NH2+]1	ZINC000662472272	806708654	/nfs/dbraw/zinc/70/86/54/806708654.db2.gz	MFDDHOGFCVLFED-FQEVSTJZSA-N	1	0	357.454	1.678	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CCC[NH2+]1	ZINC000662491621	806758003	/nfs/dbraw/zinc/75/80/03/806758003.db2.gz	WTOLQSGFSYRPEJ-INIZCTEOSA-N	1	0	356.875	1.928	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2C[N@H+](Cc3ccc(C#N)cc3)CC2(C)C)C1	ZINC000974593277	799895616	/nfs/dbraw/zinc/89/56/16/799895616.db2.gz	JJHJASWRSFRFKP-OLMNPRSZSA-N	1	0	368.481	1.800	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)C[N@@H+](C)C4CCC4)C[C@H]32)nc1	ZINC000974680446	800062308	/nfs/dbraw/zinc/06/23/08/800062308.db2.gz	QETZAJXDYKWFFB-VQIMIIECSA-N	1	0	366.465	1.220	20	30		FDEDRO
CC#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C(C)(C)C1	ZINC000974687197	800072856	/nfs/dbraw/zinc/07/28/56/800072856.db2.gz	RZLZVFUZIZVTJA-BPQIPLTHSA-N	1	0	358.486	1.831	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cccc(C)n4)[C@@H]3C2)C1=O	ZINC001075557243	800089467	/nfs/dbraw/zinc/08/94/67/800089467.db2.gz	OVYSBPVPVDIWMR-RYQLBKOJSA-N	1	0	354.454	1.323	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)CCC[NH2+]1	ZINC000662537758	806824077	/nfs/dbraw/zinc/82/40/77/806824077.db2.gz	GJLSPRGCMBPOOG-FQEVSTJZSA-N	1	0	359.445	1.737	20	30		FDEDRO
C=CC[C@]1(C(=O)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)CCC[NH2+]1	ZINC000662534326	806832951	/nfs/dbraw/zinc/83/29/51/806832951.db2.gz	KFYPNESADGPHKL-GHTZIAJQSA-N	1	0	371.481	1.910	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CC1(C)C	ZINC000975041604	800758156	/nfs/dbraw/zinc/75/81/56/800758156.db2.gz	XOXONUWFLRPJNJ-RCCFBDPRSA-N	1	0	368.481	1.609	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ncnn2CC(F)F)C1	ZINC001027074717	800886206	/nfs/dbraw/zinc/88/62/06/800886206.db2.gz	FSKINWZQIANWGR-MJBXVCDLSA-N	1	0	369.416	1.072	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2csnc2OC)C1	ZINC001027076352	800891354	/nfs/dbraw/zinc/89/13/54/800891354.db2.gz	LIXMCPPASRBNIZ-YUELXQCFSA-N	1	0	351.472	1.681	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000975307557	801112098	/nfs/dbraw/zinc/11/20/98/801112098.db2.gz	IYGLEHAWHIHUAU-IMFGXOCKSA-N	1	0	367.493	1.977	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000975318067	801131040	/nfs/dbraw/zinc/13/10/40/801131040.db2.gz	MQSVNQNAQZXLQP-JCGIZDLHSA-N	1	0	371.485	1.585	20	30		FDEDRO
C=CC[C@@]1(C(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)CCC[NH2+]1	ZINC000662630661	806904138	/nfs/dbraw/zinc/90/41/38/806904138.db2.gz	MCHBJOLHCYXWLQ-UZLBHIALSA-N	1	0	357.454	1.481	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3CCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)c1	ZINC000975639863	801813556	/nfs/dbraw/zinc/81/35/56/801813556.db2.gz	UBULNSAJSOTFGB-RDJZCZTQSA-N	1	0	355.442	1.045	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21	ZINC000975696848	802002107	/nfs/dbraw/zinc/00/21/07/802002107.db2.gz	XYLHDOUTMYHJET-OTWHNJEPSA-N	1	0	357.498	1.724	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)C=C(C)C)[C@H]3C2)CC1	ZINC000975754249	802207812	/nfs/dbraw/zinc/20/78/12/802207812.db2.gz	GXOYUCYRRHMXIZ-HKUYNNGSSA-N	1	0	357.498	1.747	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]21	ZINC000975780618	802352649	/nfs/dbraw/zinc/35/26/49/802352649.db2.gz	WZZWCTOHXFMCMV-IKGGRYGDSA-N	1	0	358.486	1.471	20	30		FDEDRO
C[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@H]3C2)CC1	ZINC000975784901	802371708	/nfs/dbraw/zinc/37/17/08/802371708.db2.gz	HYZZCLOJPLKQJE-YJBOKZPZSA-N	1	0	369.469	1.291	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)nc1	ZINC000975835455	802551846	/nfs/dbraw/zinc/55/18/46/802551846.db2.gz	BCMTYWLXDBVVDP-HKUYNNGSSA-N	1	0	366.465	1.222	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1	ZINC000668967920	802689469	/nfs/dbraw/zinc/68/94/69/802689469.db2.gz	LJCJLVOCGLIQOH-INIZCTEOSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1	ZINC000661116257	802754487	/nfs/dbraw/zinc/75/44/87/802754487.db2.gz	IARQYAVHDFURQS-BRWVUGGUSA-N	1	0	372.531	1.373	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccc[nH]2)CC1	ZINC000976259507	803131813	/nfs/dbraw/zinc/13/18/13/803131813.db2.gz	UNHVIMMNSRHWSU-IAGOWNOFSA-N	1	0	356.470	1.517	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2cc(C#N)c[nH]2)CC1	ZINC000976475960	803431085	/nfs/dbraw/zinc/43/10/85/803431085.db2.gz	BRPPBZYAAWBQPW-IAGOWNOFSA-N	1	0	371.485	1.775	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC000976536101	803504858	/nfs/dbraw/zinc/50/48/58/803504858.db2.gz	CDWCTVXAEDGJSU-XJNFMUPTSA-N	1	0	371.485	1.774	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC000976553351	803515007	/nfs/dbraw/zinc/51/50/07/803515007.db2.gz	QEYUFYIFBBUDQS-LBTBCDHLSA-N	1	0	371.485	1.774	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(Cl)[nH]1)C2	ZINC001112525557	803609969	/nfs/dbraw/zinc/60/99/69/803609969.db2.gz	YXYVLWRECQGHFY-SJCJKPOMSA-N	1	0	363.849	1.140	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1CCC	ZINC000976667794	803711837	/nfs/dbraw/zinc/71/18/37/803711837.db2.gz	RMRVEIHLKFLYCO-ZMSHIADSSA-N	1	0	361.486	1.025	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1	ZINC000423088670	814959458	/nfs/dbraw/zinc/95/94/58/814959458.db2.gz	QOBZKDHCUSLTFK-GOSISDBHSA-N	1	0	368.481	1.753	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC[C@H]([N@H+](C)Cc3cccc(C#N)c3)C2)C1	ZINC001027415076	803797166	/nfs/dbraw/zinc/79/71/66/803797166.db2.gz	DJODYCISMWZYJS-AYOQOUSVSA-N	1	0	368.481	1.896	20	30		FDEDRO
C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1	ZINC000423150295	814974058	/nfs/dbraw/zinc/97/40/58/814974058.db2.gz	IQUURJDUPFGKTQ-MRXNPFEDSA-N	1	0	370.453	1.138	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2CC[NH+](C)CC2)nc1	ZINC000976896953	804077654	/nfs/dbraw/zinc/07/76/54/804077654.db2.gz	FKBZKKWMEZHCAR-QZTJIDSGSA-N	1	0	368.481	1.562	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(C#N)cc2)C1	ZINC001027450396	804157740	/nfs/dbraw/zinc/15/77/40/804157740.db2.gz	NJUBLOZUOHZXBB-SNRMKQJTSA-N	1	0	357.454	1.785	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1	ZINC000423205566	815000463	/nfs/dbraw/zinc/00/04/63/815000463.db2.gz	CAJGIEUFKAMATD-ZIAGYGMSSA-N	1	0	360.414	1.318	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)N(C)C)CC1(C)C	ZINC000977293743	804704023	/nfs/dbraw/zinc/70/40/23/804704023.db2.gz	MDOVPSJRLKXNTI-UXLLHSPISA-N	1	0	351.491	1.273	20	30		FDEDRO
C=CCN(CC1CCCCC1)C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1	ZINC000423313493	815033826	/nfs/dbraw/zinc/03/38/26/815033826.db2.gz	ULNFBMURMPPBDO-SFHVURJKSA-N	1	0	362.518	1.087	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)C1	ZINC000662962841	804722212	/nfs/dbraw/zinc/72/22/12/804722212.db2.gz	NJVKXOOHNOMVBP-BPQIPLTHSA-N	1	0	363.502	1.546	20	30		FDEDRO
C=CCNC(=O)CN1CCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1	ZINC000423317083	815035240	/nfs/dbraw/zinc/03/52/40/815035240.db2.gz	YNUDMHLZGROIJO-GOSISDBHSA-N	1	0	358.486	1.159	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(CF)CC2)C[C@H]1c1ccccc1	ZINC001211673306	804800356	/nfs/dbraw/zinc/80/03/56/804800356.db2.gz	BUODQTQUKAFIRH-DLBZAZTESA-N	1	0	359.445	1.623	20	30		FDEDRO
C=CCN(CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O)C(C)(C)C	ZINC000661756962	804816924	/nfs/dbraw/zinc/81/69/24/804816924.db2.gz	ZNXSPESATNIPSB-UHFFFAOYSA-N	1	0	350.463	1.254	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)C1CC[NH+](C)CC1	ZINC000977794285	804940639	/nfs/dbraw/zinc/94/06/39/804940639.db2.gz	GEAUEJYFHUHXER-KURKYZTESA-N	1	0	363.502	1.369	20	30		FDEDRO
CN1CCN(C(=O)CCCCOc2cccc(C#N)c2)CC[N@H+](C)CC1	ZINC000888992633	804997758	/nfs/dbraw/zinc/99/77/58/804997758.db2.gz	SJMKQDKBTSABHL-UHFFFAOYSA-N	1	0	358.486	1.813	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2	ZINC000978053241	805159464	/nfs/dbraw/zinc/15/94/64/805159464.db2.gz	BLLLTUBQUMUUFE-ZACQAIPSSA-N	1	0	361.486	1.123	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1c1ccccc1	ZINC001211675100	805169962	/nfs/dbraw/zinc/16/99/62/805169962.db2.gz	MDYODDQNTQBGDH-YDZRNGNQSA-N	1	0	353.466	1.318	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCC(=O)N2)C[C@H]1c1ccccc1	ZINC001211675459	805204303	/nfs/dbraw/zinc/20/43/03/805204303.db2.gz	RSOAQZMKAHRAKL-GBESFXJTSA-N	1	0	353.466	1.653	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)CCn2cncn2)C1	ZINC001027607889	805339655	/nfs/dbraw/zinc/33/96/55/805339655.db2.gz	IMXKQYDIPHMWTM-BZSNNMDCSA-N	1	0	361.490	1.572	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NCCC2CC[NH2+]CC2)c1	ZINC000652385444	805393076	/nfs/dbraw/zinc/39/30/76/805393076.db2.gz	PJRSPZJDLOKGQZ-UHFFFAOYSA-N	1	0	351.472	1.270	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@@H]3C2)cc1	ZINC000978495431	805534959	/nfs/dbraw/zinc/53/49/59/805534959.db2.gz	DLJHLVYHOICXIY-HPMTWDQNSA-N	1	0	363.461	1.776	20	30		FDEDRO
C#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@]2(C)CCNC(=O)C2)C1	ZINC001087430569	807061117	/nfs/dbraw/zinc/06/11/17/807061117.db2.gz	WQOFTUCGYNNAOU-DBXWQHBBSA-N	1	0	353.466	1.510	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1	ZINC000423533522	815105660	/nfs/dbraw/zinc/10/56/60/815105660.db2.gz	XSBSSLVOXFRIKN-OKYOBFRVSA-N	1	0	366.465	1.353	20	30		FDEDRO
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2	ZINC000423531348	815104178	/nfs/dbraw/zinc/10/41/78/815104178.db2.gz	SMEFYQFMALWIGP-ZSYWTGECSA-N	1	0	366.465	1.638	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1	ZINC000423532120	815104244	/nfs/dbraw/zinc/10/42/44/815104244.db2.gz	USGRHACKKQCQFJ-HCXYKTFWSA-N	1	0	366.465	1.353	20	30		FDEDRO
C[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)CC1	ZINC000981111799	807570692	/nfs/dbraw/zinc/57/06/92/807570692.db2.gz	YPKGTXVBAUALBE-XJKSGUPXSA-N	1	0	357.458	1.243	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](CCc2cnn(CC)c2)CC1	ZINC000981186765	807664461	/nfs/dbraw/zinc/66/44/61/807664461.db2.gz	ZNZBYSYNRMNOEY-MOPGFXCFSA-N	1	0	360.502	1.961	20	30		FDEDRO
C[NH2+]CC1CCN(C(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC1	ZINC000423568287	815138959	/nfs/dbraw/zinc/13/89/59/815138959.db2.gz	XBYLMFIOAFQTPY-UHFFFAOYSA-N	1	0	366.465	1.632	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3n[nH]cc3C)C2)CC1	ZINC000981544027	808113922	/nfs/dbraw/zinc/11/39/22/808113922.db2.gz	ASBRZQLXYBWPNT-DOTOQJQBSA-N	1	0	371.485	1.078	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1	ZINC000981684618	808338787	/nfs/dbraw/zinc/33/87/87/808338787.db2.gz	KRKWPNSSTNOGEF-VBQJREDUSA-N	1	0	357.458	1.385	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1	ZINC000423702053	815200797	/nfs/dbraw/zinc/20/07/97/815200797.db2.gz	XPEIUROZALDDPL-BGTYHANMSA-N	1	0	354.454	1.480	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1	ZINC000423702055	815201017	/nfs/dbraw/zinc/20/10/17/815201017.db2.gz	XPEIUROZALDDPL-RANZSIQMSA-N	1	0	354.454	1.480	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCOC4)[C@@H]3C2)cc1	ZINC001075600378	808481298	/nfs/dbraw/zinc/48/12/98/808481298.db2.gz	RSOUHMOKOYKUBH-JENIJYKNSA-N	1	0	355.438	1.658	20	30		FDEDRO
C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCO[C@H]3c3ccnn3CC)C2)C1	ZINC000981823026	808564454	/nfs/dbraw/zinc/56/44/54/808564454.db2.gz	XGLAOCGLEYIBMD-IEBWSBKVSA-N	1	0	370.497	1.928	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc1	ZINC000981844489	808610341	/nfs/dbraw/zinc/61/03/41/808610341.db2.gz	RMGIZOMUEVBSFH-GVDBMIGSSA-N	1	0	354.454	1.029	20	30		FDEDRO
Cc1cccc(C(=O)N[C@@H]2CN(Cc3ccc(OCC#N)cc3)C[C@@H]2O)c1	ZINC001083321038	808641555	/nfs/dbraw/zinc/64/15/55/808641555.db2.gz	QBMJSORTCQSYNA-UXHICEINSA-N	1	0	365.433	1.873	20	30		FDEDRO
C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C2)C1	ZINC000981897334	808727113	/nfs/dbraw/zinc/72/71/13/808727113.db2.gz	NFNUUJUOXDCOQQ-SJORKVTESA-N	1	0	363.502	1.690	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000981986968	808926016	/nfs/dbraw/zinc/92/60/16/808926016.db2.gz	BNNFRLFSMXBNFN-YHUYYLMFSA-N	1	0	371.485	1.631	20	30		FDEDRO
C#CC(C)(C)N(C)CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O	ZINC000279341612	808937924	/nfs/dbraw/zinc/93/79/24/808937924.db2.gz	UTOQJVWCAQWSIE-FQEVSTJZSA-N	1	0	370.453	1.305	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cccc(C(N)=O)c1	ZINC001028194582	808962710	/nfs/dbraw/zinc/96/27/10/808962710.db2.gz	BIKCIDZMYLGZHF-FHWLQOOXSA-N	1	0	371.481	1.847	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccn(C)c(=O)c1	ZINC001028197185	809006486	/nfs/dbraw/zinc/00/64/86/809006486.db2.gz	BLNWAJIOTUECES-AOIWGVFYSA-N	1	0	359.470	1.447	20	30		FDEDRO
C#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C(=O)N2CCC[C@H](C)C2)C1	ZINC001087439121	809074279	/nfs/dbraw/zinc/07/42/79/809074279.db2.gz	GKRXRRQHRIVUPK-DFQSSKMNSA-N	1	0	367.493	1.852	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000437707851	809157695	/nfs/dbraw/zinc/15/76/95/809157695.db2.gz	WEXSXBNHRRMBHP-YJBOKZPZSA-N	1	0	366.506	1.210	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2	ZINC000418943276	809332698	/nfs/dbraw/zinc/33/26/98/809332698.db2.gz	ZNRLWBLAZGFXGY-UHFFFAOYSA-N	1	0	357.454	1.470	20	30		FDEDRO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1	ZINC000419051602	809486947	/nfs/dbraw/zinc/48/69/47/809486947.db2.gz	BTOXSAUBCKUBCG-SFHVURJKSA-N	1	0	373.497	1.646	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H](C)C[NH2+]1	ZINC000419107155	809564782	/nfs/dbraw/zinc/56/47/82/809564782.db2.gz	DVFSXROQDIJZNU-STQMWFEESA-N	1	0	367.371	1.382	20	30		FDEDRO
CCOc1ccc(C(=O)N2CCC(NC(=O)[C@@H]([NH3+])CCCC#N)CC2)cc1	ZINC000424067096	815302314	/nfs/dbraw/zinc/30/23/14/815302314.db2.gz	VHZFPNNPMXKZJN-SFHVURJKSA-N	1	0	372.469	1.827	20	30		FDEDRO
CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)[C@H]([NH3+])CCCC#N	ZINC000424101056	815307519	/nfs/dbraw/zinc/30/75/19/815307519.db2.gz	MDSOWWPHEAFFNZ-GXTWGEPZSA-N	1	0	373.375	1.925	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1	ZINC000473284692	809713299	/nfs/dbraw/zinc/71/32/99/809713299.db2.gz	ROSXSURYZQPARQ-MRXNPFEDSA-N	1	0	370.453	1.696	20	30		FDEDRO
COc1ccc(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cc1C#N	ZINC000893778674	809714932	/nfs/dbraw/zinc/71/49/32/809714932.db2.gz	NHAQOUJTLGXPHS-DLBZAZTESA-N	1	0	358.442	1.307	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1	ZINC001087442936	809768266	/nfs/dbraw/zinc/76/82/66/809768266.db2.gz	KBSDOCDGXNMUAN-SJLPKXTDSA-N	1	0	352.438	1.554	20	30		FDEDRO
C[NH+](C)C1CCN(CCNC(=O)N2CCC3(CC2)CC(=O)C=CO3)CC1	ZINC000893864524	809775463	/nfs/dbraw/zinc/77/54/63/809775463.db2.gz	BFWNHZXTDRORCQ-UHFFFAOYSA-N	1	0	364.490	1.060	20	30		FDEDRO
C#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H](C)N2CCCCC2=O)C1	ZINC001087443978	809806563	/nfs/dbraw/zinc/80/65/63/809806563.db2.gz	QDYZBJQKWPIIKT-DFQSSKMNSA-N	1	0	367.493	1.995	20	30		FDEDRO
C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000419207710	809831249	/nfs/dbraw/zinc/83/12/49/809831249.db2.gz	MUZMEFYXZYEWOO-KBPBESRZSA-N	1	0	350.422	1.866	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)CC1	ZINC000893972852	809839084	/nfs/dbraw/zinc/83/90/84/809839084.db2.gz	GFWXWMMTOBQYRO-CQSZACIVSA-N	1	0	373.444	1.996	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)NC(=O)C2CCC2)C[C@H]1c1ccccc1	ZINC001211738529	809932674	/nfs/dbraw/zinc/93/26/74/809932674.db2.gz	GZOFREVWFALPTI-AYOQOUSVSA-N	1	0	353.466	1.509	20	30		FDEDRO
C=CCN(C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)[C@@H](C)COC	ZINC000663876419	809972183	/nfs/dbraw/zinc/97/21/83/809972183.db2.gz	GHTQGUYOBIIBDI-INIZCTEOSA-N	1	0	352.523	1.778	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(=O)[nH]c(C3CC3)n2)C[C@H]1C(F)(F)F	ZINC001112119349	809976744	/nfs/dbraw/zinc/97/67/44/809976744.db2.gz	RABXTUHKCIMHNV-DGCLKSJQSA-N	1	0	368.359	1.675	20	30		FDEDRO
CN(C)C(=[NH+]Cc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1)N(C)C	ZINC000261711066	810171079	/nfs/dbraw/zinc/17/10/79/810171079.db2.gz	DOSSNJPNGCLBPL-LJQANCHMSA-N	1	0	357.458	1.891	20	30		FDEDRO
COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CCn1cnc(C#N)n1	ZINC000512891412	810360498	/nfs/dbraw/zinc/36/04/98/810360498.db2.gz	PKMCZTUBROFDOL-UHFFFAOYSA-N	1	0	355.354	1.481	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1ccccc1OC	ZINC001167927546	810755748	/nfs/dbraw/zinc/75/57/48/810755748.db2.gz	RFEVZDCMVXUSQH-BHYGNILZSA-N	1	0	359.470	1.585	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CCN(C[C@H]2CCOC2)CC1	ZINC000261764765	810762814	/nfs/dbraw/zinc/76/28/14/810762814.db2.gz	OQCQSKGDEFKMHR-XDNAFOTISA-N	1	0	364.534	1.420	20	30		FDEDRO
CC[NH+]=C(NCc1ccccc1C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1	ZINC000261768494	810789200	/nfs/dbraw/zinc/78/92/00/810789200.db2.gz	NTJYJMXEWUWZIN-HXUWFJFHSA-N	1	0	371.485	1.771	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1	ZINC000982756686	810821001	/nfs/dbraw/zinc/82/10/01/810821001.db2.gz	JAFGDMFTDXWZEV-KURKYZTESA-N	1	0	363.502	1.274	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCN(C5CCC5)C4=O)C[C@H]32)c1	ZINC001075658576	810908668	/nfs/dbraw/zinc/90/86/68/810908668.db2.gz	IYVNNHJZNZISOF-JCGIZDLHSA-N	1	0	367.453	1.186	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCCO)CC[C@@H]2c2ccc(F)cc2)[nH]1	ZINC001087464138	811196431	/nfs/dbraw/zinc/19/64/31/811196431.db2.gz	VUPPEDDTWVDMKA-IEBWSBKVSA-N	1	0	370.428	1.996	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2COC(=O)N2)C1	ZINC001087464630	811205208	/nfs/dbraw/zinc/20/52/08/811205208.db2.gz	UMKRKQQHHVKOOG-ZACQAIPSSA-N	1	0	361.417	1.784	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CCC3)C2)CC1	ZINC000982814259	811267545	/nfs/dbraw/zinc/26/75/45/811267545.db2.gz	IIPNFGBLJDMVGZ-LSTHTHJFSA-N	1	0	371.525	1.733	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)N1CCN(c2ncccn2)CC1	ZINC000261605369	811284385	/nfs/dbraw/zinc/28/43/85/811284385.db2.gz	DFTZTFPXGFYOBJ-ZACQAIPSSA-N	1	0	370.501	1.522	20	30		FDEDRO
CC[NH+]=C(NCc1ccc2c(c1)OCO2)N1CCO[C@H](c2cnn(C)c2)C1	ZINC000261655268	811292400	/nfs/dbraw/zinc/29/24/00/811292400.db2.gz	ALUPVXHXXBGNGD-SFHVURJKSA-N	1	0	371.441	1.688	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000982820662	811320521	/nfs/dbraw/zinc/32/05/21/811320521.db2.gz	OFGWLIAYAARLHH-HHXXYDBFSA-N	1	0	353.466	1.586	20	30		FDEDRO
CC[NH+]=C(NC[C@@](C)(O)c1ccco1)N1CCO[C@H](c2cnn(C)c2)C1	ZINC000261832609	811329376	/nfs/dbraw/zinc/32/93/76/811329376.db2.gz	VPVLINZIRCOXJJ-MAUKXSAKSA-N	1	0	361.446	1.260	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCO[C@H]2c2cnn(CC)c2)CC1	ZINC000413244475	811340760	/nfs/dbraw/zinc/34/07/60/811340760.db2.gz	QVKAPCWIOYSGGH-MAUKXSAKSA-N	1	0	361.490	1.930	20	30		FDEDRO
Cc1nnc(CNC(=[NH+]C2CC2)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)n1C	ZINC000261955844	811352598	/nfs/dbraw/zinc/35/25/98/811352598.db2.gz	ISAJHVLCKKFTLK-CJNGLKHVSA-N	1	0	356.478	1.511	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)c1	ZINC000982825817	811387303	/nfs/dbraw/zinc/38/73/03/811387303.db2.gz	FHJNIVBWECSMDD-YTQUADARSA-N	1	0	368.481	1.372	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)cc1S(N)(=O)=O	ZINC000262316161	811440062	/nfs/dbraw/zinc/44/00/62/811440062.db2.gz	UOEQBZHFATTZLY-UHFFFAOYSA-N	1	0	374.466	1.758	20	30		FDEDRO
CN(C)C(=O)CNC(=[NH+]C1CCOCC1)N1CC[C@H](Cc2ccccc2)C1	ZINC000262332372	811443624	/nfs/dbraw/zinc/44/36/24/811443624.db2.gz	VIFAORZOSGPUMV-GOSISDBHSA-N	1	0	372.513	1.764	20	30		FDEDRO
C[NH+]=C(N[C@@H]1C[C@@H]1Cc1ccccc1)N1CCN(c2ncccn2)CC1	ZINC000262422051	811464085	/nfs/dbraw/zinc/46/40/85/811464085.db2.gz	RAXBRLBYZLZFEZ-ZWKOTPCHSA-N	1	0	350.470	1.805	20	30		FDEDRO
Cc1cc(C)n(CC[N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)n1	ZINC001075700185	815450169	/nfs/dbraw/zinc/45/01/69/815450169.db2.gz	GMIARFOPSPDFLO-MAUKXSAKSA-N	1	0	352.442	1.546	20	30		FDEDRO
CC#CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cn2nccn2)C1	ZINC001087465344	811490509	/nfs/dbraw/zinc/49/05/09/811490509.db2.gz	JQCQMXWPKRSKKH-QZTJIDSGSA-N	1	0	355.417	1.415	20	30		FDEDRO
C[NH+]=C(NCc1cn2ccccc2n1)N1CCN(c2ncccn2)CC1	ZINC000262596220	811504564	/nfs/dbraw/zinc/50/45/64/811504564.db2.gz	WVZGTJULORNLGV-UHFFFAOYSA-N	1	0	350.430	1.022	20	30		FDEDRO
N#Cc1ccc([C@@H](NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C(N)=O)cc1	ZINC000513448031	811523348	/nfs/dbraw/zinc/52/33/48/811523348.db2.gz	PTIHVFVEIYJSLE-VQTJNVASSA-N	1	0	364.449	1.441	20	30		FDEDRO
CC[NH+]=C(NCC1CCCCC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1	ZINC000261805215	811879928	/nfs/dbraw/zinc/87/99/28/811879928.db2.gz	RXKCASCWTKNUJZ-LJQANCHMSA-N	1	0	363.506	1.842	20	30		FDEDRO
N#Cc1ccc(C[C@H](C#N)C(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1	ZINC000280631231	811885599	/nfs/dbraw/zinc/88/55/99/811885599.db2.gz	YWLKOAHUNLMICA-HXUWFJFHSA-N	1	0	366.465	1.811	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)NCC[N@H+]3CC=CCC3)C2=O)cc1	ZINC000280740933	811917658	/nfs/dbraw/zinc/91/76/58/811917658.db2.gz	ZRHAQTHGQKYVNN-SFHVURJKSA-N	1	0	367.453	1.220	20	30		FDEDRO
C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H](CCC#N)c1ccccc1	ZINC000419479688	811971491	/nfs/dbraw/zinc/97/14/91/811971491.db2.gz	VBSYOACSFKSDCG-CWRNSKLLSA-N	1	0	358.442	1.377	20	30		FDEDRO
N#CCCCCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1	ZINC000419650570	812074251	/nfs/dbraw/zinc/07/42/51/812074251.db2.gz	NOFVYZXILIOMRR-BBRMVZONSA-N	1	0	364.396	1.337	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)NCCC[NH2+]C1CC1	ZINC000419848147	812229917	/nfs/dbraw/zinc/22/99/17/812229917.db2.gz	TTWFEGJNONMALG-MSOLQXFVSA-N	1	0	354.454	1.543	20	30		FDEDRO
C=CC1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)CC1	ZINC000419872166	812266841	/nfs/dbraw/zinc/26/68/41/812266841.db2.gz	CTILZUXWMMVRHH-MOPGFXCFSA-N	1	0	371.481	1.682	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)C(=O)NCC[C@@H]3CC[NH2+]C3)CC2)cc1	ZINC000419922240	812287106	/nfs/dbraw/zinc/28/71/06/812287106.db2.gz	ZGXNSBHVJCITST-INIZCTEOSA-N	1	0	370.453	1.044	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1	ZINC000420056103	813410390	/nfs/dbraw/zinc/41/03/90/813410390.db2.gz	AZOGTXFMGVVFGR-SFHVURJKSA-N	1	0	356.470	1.929	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC[NH2+]1	ZINC000420099133	813454564	/nfs/dbraw/zinc/45/45/64/813454564.db2.gz	BKPOVMADAGRJLB-KSSFIOAISA-N	1	0	352.438	1.431	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C2CC2)cc1	ZINC000420196606	813547183	/nfs/dbraw/zinc/54/71/83/813547183.db2.gz	AQSBQBCVMLIDPR-RCCFBDPRSA-N	1	0	366.465	1.554	20	30		FDEDRO
C=CCN1CC[C@@H](N(Cc2nccn2CC)[C@@H]2CC23CC[NH2+]CC3)C1=O	ZINC000420314311	813604127	/nfs/dbraw/zinc/60/41/27/813604127.db2.gz	QPLMGVGIBSCPLM-IAGOWNOFSA-N	1	0	357.502	1.634	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1	ZINC000501965017	813763960	/nfs/dbraw/zinc/76/39/60/813763960.db2.gz	SHIKCQOMFPOBMI-MRXNPFEDSA-N	1	0	367.534	1.910	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C	ZINC000422149096	814437054	/nfs/dbraw/zinc/43/70/54/814437054.db2.gz	YJISCVMXTZJROB-GOSISDBHSA-N	1	0	354.454	1.625	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1cccc(N2CCOC2=O)c1	ZINC000271852532	814497521	/nfs/dbraw/zinc/49/75/21/814497521.db2.gz	WYDAQIDDDUFOOF-HNNXBMFYSA-N	1	0	369.425	1.950	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2cc(C)n(CCC#N)n2)CC1	ZINC000272047286	814555405	/nfs/dbraw/zinc/55/54/05/814555405.db2.gz	GUNMCQOCDYCSNT-HNNXBMFYSA-N	1	0	361.494	1.500	20	30		FDEDRO
C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)cc1	ZINC000272439390	814703984	/nfs/dbraw/zinc/70/39/84/814703984.db2.gz	ANAZWGIWUFJRTL-UHFFFAOYSA-N	1	0	358.442	1.718	20	30		FDEDRO
CC(C)(CC#N)CNC(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1	ZINC000422277729	814804604	/nfs/dbraw/zinc/80/46/04/814804604.db2.gz	LFFLNCDPJLKOHJ-SFHVURJKSA-N	1	0	370.497	1.723	20	30		FDEDRO
C[C@@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1	ZINC001075703773	815595877	/nfs/dbraw/zinc/59/58/77/815595877.db2.gz	PHBUHKWGPPVTBH-RLFYNMQTSA-N	1	0	369.469	1.434	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1	ZINC001028801649	815678439	/nfs/dbraw/zinc/67/84/39/815678439.db2.gz	AQHQXIOROXUZBC-VBNZEHGJSA-N	1	0	360.483	1.282	20	30		FDEDRO
Cc1csc(=O)n1CC[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1	ZINC001075710180	815771159	/nfs/dbraw/zinc/77/11/59/815771159.db2.gz	YXUUJBMJGZKLOW-XJKSGUPXSA-N	1	0	371.466	1.265	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(C(=O)NC)cc2)C1	ZINC001028809660	815782850	/nfs/dbraw/zinc/78/28/50/815782850.db2.gz	MUXNEHNZCGVZGC-QRQLOZEOSA-N	1	0	371.481	1.575	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CC[C@@H](c3ccc(OC)c(F)c3)[C@H]([NH3+])C2)nn1	ZINC000425261703	815861882	/nfs/dbraw/zinc/86/18/82/815861882.db2.gz	ZBJMZAXPCIWIBV-GOEBONIOSA-N	1	0	373.432	1.959	20	30		FDEDRO
C[C@H](CO)[N@@H+]1CCCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1	ZINC000434980980	815868058	/nfs/dbraw/zinc/86/80/58/815868058.db2.gz	CHZYJHGNIDIRMW-QGZVFWFLSA-N	1	0	368.485	1.747	20	30		FDEDRO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CCC(C[NH+](C)C)CC1	ZINC000425390283	816079911	/nfs/dbraw/zinc/07/99/11/816079911.db2.gz	WDWBHGAQDHPURB-HNNXBMFYSA-N	1	0	356.470	1.878	20	30		FDEDRO
C=CCn1cc(CNC(=O)NC[C@H](C(CC)CC)[NH+]2CCOCC2)nn1	ZINC000425404342	816155672	/nfs/dbraw/zinc/15/56/72/816155672.db2.gz	VYUAHSGFYCKKBB-QGZVFWFLSA-N	1	0	364.494	1.400	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)[C@@H]2C1	ZINC000515347988	816216567	/nfs/dbraw/zinc/21/65/67/816216567.db2.gz	ROXKNSXVZSLPMV-WMLDXEAASA-N	1	0	350.426	1.492	20	30		FDEDRO
CN1CC[NH+](CCCCNC(=O)Nc2ncccc2OCCCC#N)CC1	ZINC000515449672	816278031	/nfs/dbraw/zinc/27/80/31/816278031.db2.gz	GMZQSOQDQLBLAV-UHFFFAOYSA-N	1	0	374.489	1.913	20	30		FDEDRO
C=CCn1cc(CNC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)nn1	ZINC000425499944	816381334	/nfs/dbraw/zinc/38/13/34/816381334.db2.gz	CHLHDOOAMGOIAL-QAPCUYQASA-N	1	0	354.458	1.784	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCN(c3ncccc3F)C2)cc1	ZINC000515832081	816464074	/nfs/dbraw/zinc/46/40/74/816464074.db2.gz	IYUCDDZHUGYIKD-IAGOWNOFSA-N	1	0	370.428	1.895	20	30		FDEDRO
CC(C)(O)CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21	ZINC001075741353	817110739	/nfs/dbraw/zinc/11/07/39/817110739.db2.gz	ZOZCSHIZJPNBJZ-FUHWJXTLSA-N	1	0	357.454	1.783	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000366675410	817173423	/nfs/dbraw/zinc/17/34/23/817173423.db2.gz	BYAQXPTXJFFLLS-MKXGPGLRSA-N	1	0	364.534	1.635	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000366675414	817173625	/nfs/dbraw/zinc/17/36/25/817173625.db2.gz	BYAQXPTXJFFLLS-YRXWBPOGSA-N	1	0	364.534	1.635	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1	ZINC000425845284	817223980	/nfs/dbraw/zinc/22/39/80/817223980.db2.gz	AKROCDVDWHVFAI-ROUUACIJSA-N	1	0	364.534	1.637	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H](c1ccc(CC)cc1)[NH+](C)C	ZINC000425858020	817242904	/nfs/dbraw/zinc/24/29/04/817242904.db2.gz	BYPIBOLADPSJHV-OTWHNJEPSA-N	1	0	373.497	1.675	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)C(=O)N(C)[C@H](C)c1cccc(C#N)c1	ZINC000425890882	817309950	/nfs/dbraw/zinc/30/99/50/817309950.db2.gz	SGXDNMSZGLFVRU-OAHLLOKOSA-N	1	0	360.458	1.162	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000425909905	817364736	/nfs/dbraw/zinc/36/47/36/817364736.db2.gz	ROUCFVPOSRFRHY-OTWHNJEPSA-N	1	0	371.481	1.427	20	30		FDEDRO
CCO[C@@H](CC(=O)N1C[C@H]2C[N@H+](CC#CCOC)C[C@@]2(C)C1)C(C)C	ZINC001101267880	817387340	/nfs/dbraw/zinc/38/73/40/817387340.db2.gz	WXYSXSPYHKIQDM-HBFSDRIKSA-N	1	0	350.503	1.868	20	30		FDEDRO
C=CCn1cc(CNC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)nn1	ZINC000425877375	817467374	/nfs/dbraw/zinc/46/73/74/817467374.db2.gz	PAWUYQXHOFYZKX-UHFFFAOYSA-N	1	0	360.437	1.877	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)ncc1C#N	ZINC000517757117	817563866	/nfs/dbraw/zinc/56/38/66/817563866.db2.gz	OISHAKKSSHXPTB-UHFFFAOYSA-N	1	0	357.458	1.971	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)ccc1F	ZINC000518214450	817796987	/nfs/dbraw/zinc/79/69/87/817796987.db2.gz	SUMUOGKVZBOLHO-MRXNPFEDSA-N	1	0	374.416	1.349	20	30		FDEDRO
CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1	ZINC000439549769	817994077	/nfs/dbraw/zinc/99/40/77/817994077.db2.gz	KEHOGAFWFWWFSK-CYBMUJFWSA-N	1	0	359.430	1.324	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)c2nnc[nH]2)C1	ZINC001087471372	818079014	/nfs/dbraw/zinc/07/90/14/818079014.db2.gz	ACFKFVSWCPOIBD-ROUUACIJSA-N	1	0	367.453	1.815	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1	ZINC000983668529	818500107	/nfs/dbraw/zinc/50/01/07/818500107.db2.gz	BSMWFHUPSJTSAW-KMFMINBZSA-N	1	0	357.458	1.337	20	30		FDEDRO
C#CCOc1ccc(NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1	ZINC000108521768	818560820	/nfs/dbraw/zinc/56/08/20/818560820.db2.gz	BFKZLVVATUATMO-OAHLLOKOSA-N	1	0	358.442	1.408	20	30		FDEDRO
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000507310015	818721394	/nfs/dbraw/zinc/72/13/94/818721394.db2.gz	AXYWNJKBPHZQAK-KXBFYZLASA-N	1	0	365.474	1.429	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1	ZINC000519606392	818764740	/nfs/dbraw/zinc/76/47/40/818764740.db2.gz	QZUUVRNWEXONEB-BZSNNMDCSA-N	1	0	365.518	1.712	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C)cs4)[C@@H]3C2)C1=O	ZINC001075768433	818887169	/nfs/dbraw/zinc/88/71/69/818887169.db2.gz	NNIZBBLCBAVOHW-ARFHVFGLSA-N	1	0	359.495	1.990	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]Cc2nc(CC)no2)CC1	ZINC001029146214	818934132	/nfs/dbraw/zinc/93/41/32/818934132.db2.gz	NKWIYANDNVUSHR-IMJJTQAJSA-N	1	0	362.474	1.940	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@H](C)[NH2+]Cc2cnnn2C)CC1	ZINC001029157155	818954642	/nfs/dbraw/zinc/95/46/42/818954642.db2.gz	XTZHBMQRSPNPOD-WBAXXEDZSA-N	1	0	361.490	1.513	20	30		FDEDRO
C=CCn1cc(-c2nc(-c3ccnc(N4CC[NH+](C)CC4)c3)no2)nn1	ZINC000664929041	818956803	/nfs/dbraw/zinc/95/68/03/818956803.db2.gz	IHAKHAFFNXFFAZ-UHFFFAOYSA-N	1	0	352.402	1.328	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC([C@H](O)C(=O)OC)CC1	ZINC000441245724	819283049	/nfs/dbraw/zinc/28/30/49/819283049.db2.gz	MXFBLIDLKLFAOO-MJGOQNOKSA-N	1	0	363.454	1.401	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)CN2CCCC2=O)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087497980	819319106	/nfs/dbraw/zinc/31/91/06/819319106.db2.gz	SCIYMLJYNXDFPT-ZWKOTPCHSA-N	1	0	354.454	1.650	20	30		FDEDRO
COc1cc(C[NH2+]CC2CCC(C#N)CC2)cc(OC)c1OCC(N)=O	ZINC000441355694	819319691	/nfs/dbraw/zinc/31/96/91/819319691.db2.gz	YZUIGQAWXRZLCV-UHFFFAOYSA-N	1	0	361.442	1.987	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N[C@@H](C)C1CC1	ZINC001167990768	819396946	/nfs/dbraw/zinc/39/69/46/819396946.db2.gz	BEPRURFRJMKHJN-ZVZYQTTQSA-N	1	0	351.491	1.368	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)N1CCCCC1	ZINC001167991287	819409287	/nfs/dbraw/zinc/40/92/87/819409287.db2.gz	LTYHSTHHXFZIGA-BZSNNMDCSA-N	1	0	365.518	1.855	20	30		FDEDRO
CC(C)[C@H](CNC(=O)N[C@H]1CCC(=O)NC12CCC2)[NH+]1CCN(C)CC1	ZINC000328724287	819532378	/nfs/dbraw/zinc/53/23/78/819532378.db2.gz	YKYCXZXPTNQUEX-HOTGVXAUSA-N	1	0	365.522	1.804	20	30		FDEDRO
Cn1cc2c(n1)CCC[C@H]2NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000328710113	819538959	/nfs/dbraw/zinc/53/89/59/819538959.db2.gz	GAKLAWGZJIITTH-DOTOQJQBSA-N	1	0	361.490	1.756	20	30		FDEDRO
Cc1noc(C)c1CNC(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1	ZINC000328809547	819551060	/nfs/dbraw/zinc/55/10/60/819551060.db2.gz	MCXFVLLQGDOPOQ-UHFFFAOYSA-N	1	0	363.462	1.191	20	30		FDEDRO
CCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@H](C3CC[NH+](C)CC3)C1)CC2	ZINC000328783570	819555874	/nfs/dbraw/zinc/55/58/74/819555874.db2.gz	GLXRMUNPPOWMHE-JKSUJKDBSA-N	1	0	360.506	1.733	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CC[N@H+](C)C2)cc1	ZINC000983803209	819575060	/nfs/dbraw/zinc/57/50/60/819575060.db2.gz	FPFONHPKICMOKM-AHRSYUTCSA-N	1	0	367.493	1.977	20	30		FDEDRO
Cn1cc(N2CCC[C@H](NC(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)C2)cn1	ZINC000328878744	819575236	/nfs/dbraw/zinc/57/52/36/819575236.db2.gz	UTQQYRBQXAXTRM-MSOLQXFVSA-N	1	0	374.533	1.967	20	30		FDEDRO
Cc1noc([C@H]2CN(CC(=O)NC3CC[NH+](C4CC4)CC3)CCN2C)n1	ZINC000328971759	819601948	/nfs/dbraw/zinc/60/19/48/819601948.db2.gz	VELKVFXOZVIMNN-MRXNPFEDSA-N	1	0	362.478	1.250	20	30		FDEDRO
O=C(CCC(=O)N1CCOCC1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000328976347	819603278	/nfs/dbraw/zinc/60/32/78/819603278.db2.gz	WLEFINUGOBITIB-IAGOWNOFSA-N	1	0	367.490	1.350	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1	ZINC000983806991	819606744	/nfs/dbraw/zinc/60/67/44/819606744.db2.gz	KGPBMWNYDOTJLV-FMKPAKJESA-N	1	0	357.458	1.195	20	30		FDEDRO
COC(=O)c1cc(CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)oc1C	ZINC000331232427	819669895	/nfs/dbraw/zinc/66/98/95/819669895.db2.gz	RHWRTMVBZSCVOH-LBPRGKRZSA-N	1	0	367.446	1.566	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1ccc(OC(F)F)cn1	ZINC000331327288	819676682	/nfs/dbraw/zinc/67/66/82/819676682.db2.gz	GBJOLWBWTFCFNZ-GFCCVEGCSA-N	1	0	372.416	1.874	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCc4ccccc43)C[C@@H]2O)[nH]1	ZINC001083413196	820007239	/nfs/dbraw/zinc/00/72/39/820007239.db2.gz	CSNGRCWJISUMNL-YSGRDPCXSA-N	1	0	364.449	1.781	20	30		FDEDRO
CO[C@H](C[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1)c1ccccc1	ZINC001083413519	820019596	/nfs/dbraw/zinc/01/95/96/820019596.db2.gz	SBCMXRAVBFGFCS-FGTMMUONSA-N	1	0	354.410	1.049	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)[C@@H]2CCC[N@@H+]2C)cn1	ZINC000983950174	820266099	/nfs/dbraw/zinc/26/60/99/820266099.db2.gz	AWILHJCDWMCCRD-MNEFBYGVSA-N	1	0	368.481	1.514	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H]3CCN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)s1	ZINC001075798546	820436409	/nfs/dbraw/zinc/43/64/09/820436409.db2.gz	FNSXBMDROQKRKI-ZYSHUDEJSA-N	1	0	370.522	1.994	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1	ZINC000984039770	820640762	/nfs/dbraw/zinc/64/07/62/820640762.db2.gz	XLDZFONXICYYQZ-CPUCHLNUSA-N	1	0	353.426	1.851	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)Cc1cccc(OCC#N)c1	ZINC000366878150	820934186	/nfs/dbraw/zinc/93/41/86/820934186.db2.gz	PFGCKHXWTJNHKR-NZSAHSFTSA-N	1	0	357.454	1.842	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)Cc1cccc(OCC#N)c1	ZINC000366878151	820934314	/nfs/dbraw/zinc/93/43/14/820934314.db2.gz	PFGCKHXWTJNHKR-QRQLOZEOSA-N	1	0	357.454	1.842	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1CCn1nc(C)cc1C	ZINC001087535689	820939048	/nfs/dbraw/zinc/93/90/48/820939048.db2.gz	WTPKWCVDUYKXNC-FUHWJXTLSA-N	1	0	354.458	1.983	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1	ZINC000442168860	821074806	/nfs/dbraw/zinc/07/48/06/821074806.db2.gz	KEDARACNJZHMOB-CJNGLKHVSA-N	1	0	358.442	1.140	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(NC(C)=O)c(OC)c2)CC1	ZINC000442258230	821100356	/nfs/dbraw/zinc/10/03/56/821100356.db2.gz	ABJBLRFACCLGKE-UHFFFAOYSA-N	1	0	374.441	1.359	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000521463919	821260381	/nfs/dbraw/zinc/26/03/81/821260381.db2.gz	SCUPRVYETZSYQA-UHFFFAOYSA-N	1	0	365.441	1.634	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2COCCN2C)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087547405	821286952	/nfs/dbraw/zinc/28/69/52/821286952.db2.gz	FXNLFCPUIQOXEB-OTWHNJEPSA-N	1	0	356.470	1.358	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2COCCN2C)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087547874	821297867	/nfs/dbraw/zinc/29/78/67/821297867.db2.gz	SQZDOEMPMUOWTE-XUVXKRRUSA-N	1	0	355.482	1.338	20	30		FDEDRO
C[N@@H+]1CC[C@H](C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1	ZINC000521927286	821397921	/nfs/dbraw/zinc/39/79/21/821397921.db2.gz	DARKIQMPQSHYCZ-ZDUSSCGKSA-N	1	0	355.398	1.407	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(=O)n(C)o2)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087555581	821437907	/nfs/dbraw/zinc/43/79/07/821437907.db2.gz	QUIRQCBSPIOSBQ-UONOGXRCSA-N	1	0	360.439	1.694	20	30		FDEDRO
C=CCN1CC[C@H](N2CC[C@H](NC(=O)c3nccc(C)n3)[C@H]2CC)C1=O	ZINC001087558127	821453698	/nfs/dbraw/zinc/45/36/98/821453698.db2.gz	ONCYYSGROAONEJ-XHSDSOJGSA-N	1	0	357.458	1.155	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccncc3C)[C@H]2CC)C1=O	ZINC001087566222	821522911	/nfs/dbraw/zinc/52/29/11/821522911.db2.gz	AGGLKXQTGDYNIJ-RCCFBDPRSA-N	1	0	356.470	1.760	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc(C)nnc3C)[C@H]2CC)C1=O	ZINC001087586773	821614711	/nfs/dbraw/zinc/61/47/11/821614711.db2.gz	CXXUWKQIYQWAPR-RCCFBDPRSA-N	1	0	371.485	1.463	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCC(=O)NC2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087599166	821675430	/nfs/dbraw/zinc/67/54/30/821675430.db2.gz	QAKFFULKOSWJGX-GBESFXJTSA-N	1	0	368.481	1.944	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](C[C@H](O)Cn2cccn2)[C@@H]1CC	ZINC001087602699	821694882	/nfs/dbraw/zinc/69/48/82/821694882.db2.gz	APVPLRYAOWUWRC-OKZBNKHCSA-N	1	0	371.485	1.514	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@]2(C)CNC(=O)C2)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087669045	821971860	/nfs/dbraw/zinc/97/18/60/821971860.db2.gz	PWDJLBONCVEFBK-HDMKZQKVSA-N	1	0	360.483	1.615	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@H]1CC	ZINC001087671227	821974179	/nfs/dbraw/zinc/97/41/79/821974179.db2.gz	UNNUEWDCOOKQAI-DOTOQJQBSA-N	1	0	355.446	1.606	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)[C@H]1CC	ZINC001087762105	822388061	/nfs/dbraw/zinc/38/80/61/822388061.db2.gz	FCJSTZWANCSWKO-JKSUJKDBSA-N	1	0	357.458	1.880	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C(=O)N2CC[C@H](C)C2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087789976	822434488	/nfs/dbraw/zinc/43/44/88/822434488.db2.gz	PBCYWQGCQCGQAG-ZYSHUDEJSA-N	1	0	368.481	1.896	20	30		FDEDRO
N#Cc1ccccc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC000984363493	822447358	/nfs/dbraw/zinc/44/73/58/822447358.db2.gz	QAXIXHSNEHKNBP-ZAQOWBAASA-N	1	0	351.450	1.966	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C[C@H]3CCNC(=O)CC3)[C@@H]2CC)cn1	ZINC001087801371	822461164	/nfs/dbraw/zinc/46/11/64/822461164.db2.gz	LLPZQGUQYTXVGN-AYOQOUSVSA-N	1	0	368.481	1.562	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087830968	822526849	/nfs/dbraw/zinc/52/68/49/822526849.db2.gz	LDCPFTRHGWXJQB-FUHWJXTLSA-N	1	0	365.437	1.768	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN(CC)CCO2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087836933	822547018	/nfs/dbraw/zinc/54/70/18/822547018.db2.gz	NFUJDOPYWAIKII-ZCNNSNEGSA-N	1	0	370.497	1.748	20	30		FDEDRO
C#C[C@H]([NH2+]C1CCN(CCNC(=O)OC(C)(C)C)CC1)C1CCOCC1	ZINC000895435387	822595266	/nfs/dbraw/zinc/59/52/66/822595266.db2.gz	IFBZVJCWHRTAFM-SFHVURJKSA-N	1	0	365.518	1.994	20	30		FDEDRO
N#Cc1c(N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)cccc1S(N)(=O)=O	ZINC000895567971	822659068	/nfs/dbraw/zinc/65/90/68/822659068.db2.gz	VEXCLCCHKKUNIZ-KGLIPLIRSA-N	1	0	352.485	1.197	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC[C@@H](O)[C@H](F)C3)CC2)c1	ZINC000895594505	822667381	/nfs/dbraw/zinc/66/73/81/822667381.db2.gz	RAFMJNDODRLQGG-QZTJIDSGSA-N	1	0	360.433	1.637	20	30		FDEDRO
C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@H]3CCCN(C(=O)CC)C3)[C@@H]2C1	ZINC001075824568	822682611	/nfs/dbraw/zinc/68/26/11/822682611.db2.gz	FDKYIKBNMYUQII-HRCADAONSA-N	1	0	353.894	1.920	20	30		FDEDRO
N#Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4cccn4)C[C@@H]3C2)ccc1F	ZINC001087884955	822715228	/nfs/dbraw/zinc/71/52/28/822715228.db2.gz	QHQAVPBEZLOBPQ-AEFFLSMTSA-N	1	0	367.428	1.874	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccccc4O)C[C@@H]3C2)C1=O	ZINC001087890209	822732154	/nfs/dbraw/zinc/73/21/54/822732154.db2.gz	YTMMWDOTAWYJRK-SOLBZPMBSA-N	1	0	369.465	1.573	20	30		FDEDRO
COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cc[nH]n4)C[C@@H]3C2)cc1C#N	ZINC001087893467	822745447	/nfs/dbraw/zinc/74/54/47/822745447.db2.gz	JQYUWMUCLSBSFK-WBVHZDCISA-N	1	0	365.437	1.884	20	30		FDEDRO
C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC001029841055	828491797	/nfs/dbraw/zinc/49/17/97/828491797.db2.gz	JBMLARQOQAOONU-OTWHNJEPSA-N	1	0	368.481	1.740	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(C(=O)N(C)C)c3)CC[C@@H]2C1	ZINC001087909432	823755356	/nfs/dbraw/zinc/75/53/56/823755356.db2.gz	LPDTYBTVOJAIIT-IPELMVKDSA-N	1	0	368.481	1.828	20	30		FDEDRO
C#CCNS(=O)(=O)N1CC[NH+]([C@H](C)CCc2cccc(F)c2)CC1	ZINC000895915548	823766174	/nfs/dbraw/zinc/76/61/74/823766174.db2.gz	BKNFHSHNDIXPPB-OAHLLOKOSA-N	1	0	353.463	1.232	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[NH+](C2CCOCC2)CC1	ZINC000474469879	823798035	/nfs/dbraw/zinc/79/80/35/823798035.db2.gz	NCCBUTSVROWORS-UHFFFAOYSA-N	1	0	372.469	1.532	20	30		FDEDRO
CN1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)CC[C@@H]3C2)C1	ZINC001087920491	823877038	/nfs/dbraw/zinc/87/70/38/823877038.db2.gz	QWJILVWAJZEIIG-HSALFYBXSA-N	1	0	368.481	1.169	20	30		FDEDRO
Cc1nn(C)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C1	ZINC001087939003	824019188	/nfs/dbraw/zinc/01/91/88/824019188.db2.gz	VQTBEDUOIIRKHJ-ZBFHGGJFSA-N	1	0	352.442	1.522	20	30		FDEDRO
CN1CCOC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)CC[C@@H]2C1	ZINC001087940582	824037336	/nfs/dbraw/zinc/03/73/36/824037336.db2.gz	OMNVQMNJHJGSSS-HSALFYBXSA-N	1	0	368.481	1.169	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cc4ccoc4)C[C@@H]3C2)C1=O	ZINC001087944275	824047402	/nfs/dbraw/zinc/04/74/02/824047402.db2.gz	RQAIRUXBLGGEBQ-SQNIBIBYSA-N	1	0	357.454	1.389	20	30		FDEDRO
CC(=O)N1CC(C(=O)N2C[C@@H]3C[N@@H+](CC#Cc4ccccc4)CC[C@@H]3C2)C1	ZINC001087948112	824096336	/nfs/dbraw/zinc/09/63/36/824096336.db2.gz	JWSYHBGOEKFPHL-UXHICEINSA-N	1	0	365.477	1.297	20	30		FDEDRO
Cn1cnc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(F)c(C#N)c4)CC[C@@H]3C2)n1	ZINC001087957293	824153799	/nfs/dbraw/zinc/15/37/99/824153799.db2.gz	JWRDBDMGXXROJD-ZBFHGGJFSA-N	1	0	368.416	1.420	20	30		FDEDRO
CCc1ccccc1CC[N@@H+]1C[C@@H](NC(=O)CSCC#N)[C@H](OC)C1	ZINC001211886804	824183793	/nfs/dbraw/zinc/18/37/93/824183793.db2.gz	ZZNUBPZNGGVMLU-QZTJIDSGSA-N	1	0	361.511	1.864	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@H]1CCOC2(CCC2)C1)=[NH+]C[C@@H]1CCCCO1	ZINC000262277040	824544066	/nfs/dbraw/zinc/54/40/66/824544066.db2.gz	IFWGEOMMIUTEFN-HOTGVXAUSA-N	1	0	366.506	1.281	20	30		FDEDRO
CC(C)OCC[NH+]1CCC(NC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)CC1	ZINC000329063394	824551852	/nfs/dbraw/zinc/55/18/52/824551852.db2.gz	OGADCZBVVMKDRF-MSOLQXFVSA-N	1	0	368.522	1.195	20	30		FDEDRO
C[C@H](NC(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@@H]1C[N@H+](C)CCN1C	ZINC000896543070	824554417	/nfs/dbraw/zinc/55/44/17/824554417.db2.gz	WMWKKWUCINSGES-KSSFIOAISA-N	1	0	352.442	1.108	20	30		FDEDRO
CN1C(=O)N[C@@H]2CN(C(=O)NC3CC[NH+](CC4CCCC4)CC3)CC[C@@H]21	ZINC000329133904	824617937	/nfs/dbraw/zinc/61/79/37/824617937.db2.gz	PVTIDTUBOVMGJC-SJORKVTESA-N	1	0	363.506	1.857	20	30		FDEDRO
CCn1cc([C@H]2OCC[C@@H]2NC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)cn1	ZINC000329153806	824633270	/nfs/dbraw/zinc/63/32/70/824633270.db2.gz	BDSOADKLZJJQAY-VVLHAWIVSA-N	1	0	363.462	1.052	20	30		FDEDRO
CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@H]2CCCc3c2cnn3C)C1	ZINC000329189602	824654458	/nfs/dbraw/zinc/65/44/58/824654458.db2.gz	PSUXMDQNTRLRHN-ZOBUZTSGSA-N	1	0	361.490	1.897	20	30		FDEDRO
O=C(CN1CCN(Cc2cccnc2)CC1)NC1CC[NH+](C2CC2)CC1	ZINC000329204089	824665262	/nfs/dbraw/zinc/66/52/62/824665262.db2.gz	YTPLTZVHZZRTMH-UHFFFAOYSA-N	1	0	357.502	1.783	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NCc2cn3c(n2)CCCC3)CC1	ZINC000329212688	824673030	/nfs/dbraw/zinc/67/30/30/824673030.db2.gz	IDQGPGJUGVKLSK-SFHVURJKSA-N	1	0	374.533	1.735	20	30		FDEDRO
C[C@H](CNC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1)[N@@H+]1CCC[C@@H](C)C1	ZINC000329249682	824693178	/nfs/dbraw/zinc/69/31/78/824693178.db2.gz	TXUPAWMPMBFYID-WCXIOVBPSA-N	1	0	367.490	1.470	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C3CCOCC3)C2)CC1	ZINC000329262788	824701782	/nfs/dbraw/zinc/70/17/82/824701782.db2.gz	FDGBSRVKZOETRK-RTBURBONSA-N	1	0	362.518	1.427	20	30		FDEDRO
CN1C(=O)N[C@]2(CCN(C(=O)NC3CC[NH+](C4CCCC4)CC3)C2)C1=O	ZINC000329265045	824702767	/nfs/dbraw/zinc/70/27/67/824702767.db2.gz	FBIIBEBOIOESBR-SFHVURJKSA-N	1	0	363.462	1.138	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O	ZINC000329382097	824764086	/nfs/dbraw/zinc/76/40/86/824764086.db2.gz	QQUUWRIMYLVPHP-KGLIPLIRSA-N	1	0	366.412	1.520	20	30		FDEDRO
C[N@H+](Cc1ccc(C#N)cc1F)C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1	ZINC000985646389	828692461	/nfs/dbraw/zinc/69/24/61/828692461.db2.gz	DNONOHIJXXMYDL-CVEARBPZSA-N	1	0	358.417	1.242	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CCCCC1	ZINC000329438369	824786913	/nfs/dbraw/zinc/78/69/13/824786913.db2.gz	KFAXHQDSQMOCQU-JKSUJKDBSA-N	1	0	367.490	1.614	20	30		FDEDRO
CC1(Cn2cc(C(=O)NCC3([NH+]4CCCC4)CCOCC3)nn2)COC1	ZINC000329519589	824845439	/nfs/dbraw/zinc/84/54/39/824845439.db2.gz	OBQZGMDYPHUYOJ-UHFFFAOYSA-N	1	0	363.462	1.264	20	30		FDEDRO
CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000329528318	824853915	/nfs/dbraw/zinc/85/39/15/824853915.db2.gz	UNZZDBVBKUAXCZ-IRXDYDNUSA-N	1	0	365.522	1.854	20	30		FDEDRO
C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@H]1CCn2ncc(C(N)=O)c2C1	ZINC000329529242	824854880	/nfs/dbraw/zinc/85/48/80/824854880.db2.gz	VBASFUBGWOTAPC-NFAWXSAZSA-N	1	0	362.478	1.515	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(-c4ccn(C)c4)n[nH]3)C[C@@H]2C1	ZINC001087989364	824927783	/nfs/dbraw/zinc/92/77/83/824927783.db2.gz	BBRUBXMJHSOKJP-WBVHZDCISA-N	1	0	351.454	1.832	20	30		FDEDRO
Cn1ncc2c1CCC[C@@H]2NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000329621868	825040085	/nfs/dbraw/zinc/04/00/85/825040085.db2.gz	UMGDBZANCHAPRO-PBHICJAKSA-N	1	0	361.490	1.802	20	30		FDEDRO
Cc1nc2cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)ccc2n1C	ZINC000525876017	828745160	/nfs/dbraw/zinc/74/51/60/828745160.db2.gz	WNHWIBMWBBSWSK-UHFFFAOYSA-N	1	0	370.457	1.514	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1	ZINC000329645470	825168125	/nfs/dbraw/zinc/16/81/25/825168125.db2.gz	IQTOVGHTLPOPQY-MLHJIOFPSA-N	1	0	372.517	1.816	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC4N=NC(=O)N4C3)C[C@@H]2C1	ZINC001088018838	825307401	/nfs/dbraw/zinc/30/74/01/825307401.db2.gz	NBUGJXQBXWGPHY-PMPSAXMXSA-N	1	0	359.474	1.293	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@H]2CCc3[nH]cnc3C2)CC1	ZINC000329725775	825384645	/nfs/dbraw/zinc/38/46/45/825384645.db2.gz	GJJZZKUTJJHYHS-JKSUJKDBSA-N	1	0	360.506	1.283	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1	ZINC000522668051	825412324	/nfs/dbraw/zinc/41/23/24/825412324.db2.gz	NLDVBJHPIPLSCS-UHFFFAOYSA-N	1	0	355.354	1.566	20	30		FDEDRO
Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21	ZINC000329750809	825425803	/nfs/dbraw/zinc/42/58/03/825425803.db2.gz	VFHHDNYEZCPLSV-LISAXSMJSA-N	1	0	361.490	1.828	20	30		FDEDRO
CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)N[C@@H](C)[C@H]3CCOC3)CC2)C1	ZINC000329769351	825440133	/nfs/dbraw/zinc/44/01/33/825440133.db2.gz	HRXIUTVEFVEOFL-OKZBNKHCSA-N	1	0	368.522	1.052	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)CC[C@H]3CCCO3)CC2)o1	ZINC000525971715	828782432	/nfs/dbraw/zinc/78/24/32/828782432.db2.gz	HOAPSDXNMMWBFF-OAHLLOKOSA-N	1	0	361.446	1.004	20	30		FDEDRO
O=C(Nc1cnn(-c2ncccn2)c1)NC1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000329801433	825465744	/nfs/dbraw/zinc/46/57/44/825465744.db2.gz	JONNCZXRRUFWQI-CQSZACIVSA-N	1	0	371.445	1.489	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C(N)=O)cc2)C1	ZINC000984920926	825467125	/nfs/dbraw/zinc/46/71/25/825467125.db2.gz	MWEHBYRWMXJFDL-WNHJNPCNSA-N	1	0	371.481	1.751	20	30		FDEDRO
C[NH+](C)[C@@H]1CCN(C(=O)Nc2cccc(N3C(=O)NC(C)(C)C3=O)c2)C1	ZINC000329849784	825499878	/nfs/dbraw/zinc/49/98/78/825499878.db2.gz	ZJRPABYOOHEYQJ-CQSZACIVSA-N	1	0	359.430	1.907	20	30		FDEDRO
C[C@@H]1OCC[C@]12CN(C(=O)NCC1([NH+]3CCCC3)CCOCC1)CCO2	ZINC000329893566	825525867	/nfs/dbraw/zinc/52/58/67/825525867.db2.gz	AXCRTGGMCHBONM-LPHOPBHVSA-N	1	0	367.490	1.425	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2nccn2C)C1	ZINC000329904017	825535634	/nfs/dbraw/zinc/53/56/34/825535634.db2.gz	ISQIOOKXAUPJSW-XHSDSOJGSA-N	1	0	366.485	1.320	20	30		FDEDRO
CN(C[C@@H]1C[C@H](F)CN1Cc1ccnn1C)C(=O)NC1CC[NH+](C)CC1	ZINC000329930977	825550173	/nfs/dbraw/zinc/55/01/73/825550173.db2.gz	IANCNMQFFHKJNY-YOEHRIQHSA-N	1	0	366.485	1.273	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(Cn4ccnn4)o3)C[C@@H]2C1	ZINC001088049441	825593413	/nfs/dbraw/zinc/59/34/13/825593413.db2.gz	IDIHXAVUPGIXKR-CVEARBPZSA-N	1	0	355.442	1.889	20	30		FDEDRO
C[C@]1(C(=O)N2C[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)CC[C@@H]3C2)CNC(=O)C1	ZINC001088050547	825599096	/nfs/dbraw/zinc/59/90/96/825599096.db2.gz	LLMIZZNOKGXVAC-LVCYWYKZSA-N	1	0	366.465	1.365	20	30		FDEDRO
C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCc3c(ncn(C)c3=O)C2)C1	ZINC000330076164	825622765	/nfs/dbraw/zinc/62/27/65/825622765.db2.gz	DPIYBMOXKDONEM-CQSZACIVSA-N	1	0	361.490	1.563	20	30		FDEDRO
COc1cccc(CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1OC	ZINC000330182656	825710144	/nfs/dbraw/zinc/71/01/44/825710144.db2.gz	HJADCFIAKVNUOL-HNNXBMFYSA-N	1	0	363.458	1.772	20	30		FDEDRO
Cc1n[nH]nc1C(=O)N1C[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)CC[C@@H]2C1	ZINC001088062784	825757335	/nfs/dbraw/zinc/75/73/35/825757335.db2.gz	YDZSQWRDKCBGOG-SJORKVTESA-N	1	0	367.428	1.698	20	30		FDEDRO
O=C(CCNC(=O)[C@H]1CCC[N@@H+]1C1CC1)N1CCN(c2ccccn2)CC1	ZINC000330266246	825780572	/nfs/dbraw/zinc/78/05/72/825780572.db2.gz	PWFXGNWPANTOJH-QGZVFWFLSA-N	1	0	371.485	1.704	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)CC[C@@H]2C1	ZINC001088065165	825789902	/nfs/dbraw/zinc/78/99/02/825789902.db2.gz	KJUZGVJVHHPOIU-CVEARBPZSA-N	1	0	361.486	1.518	20	30		FDEDRO
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1	ZINC000280918736	825828845	/nfs/dbraw/zinc/82/88/45/825828845.db2.gz	OCTPIANYWWMQLR-LJQANCHMSA-N	1	0	367.497	1.725	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(O[C@@H]3CCN(C)C3=O)cc2C)CC1	ZINC000281265033	825922853	/nfs/dbraw/zinc/92/28/53/825922853.db2.gz	GYZNQBUBONWTTK-LJQANCHMSA-N	1	0	369.465	1.888	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)ccn1	ZINC000281062680	825868200	/nfs/dbraw/zinc/86/82/00/825868200.db2.gz	CNVCOZRAGPCKOS-MJGOQNOKSA-N	1	0	350.422	1.566	20	30		FDEDRO
CNC(=O)[C@@]1(C)CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1	ZINC000281157203	825903330	/nfs/dbraw/zinc/90/33/30/825903330.db2.gz	POHHNJHPFTZQIH-YWZLYKJASA-N	1	0	372.469	1.788	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccn(-c2cccc(C#N)c2)n1	ZINC000281193556	825907218	/nfs/dbraw/zinc/90/72/18/825907218.db2.gz	BKOULICTGWBFQI-MRXNPFEDSA-N	1	0	366.469	1.500	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)C1=O	ZINC000281207247	825910068	/nfs/dbraw/zinc/91/00/68/825910068.db2.gz	AKGRYWAPZWTJFF-INIZCTEOSA-N	1	0	373.457	1.098	20	30		FDEDRO
CCOC(=O)[C@]1(COC)CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000281238841	825920842	/nfs/dbraw/zinc/92/08/42/825920842.db2.gz	CUMJVHMMKBZYCU-HXUWFJFHSA-N	1	0	373.453	1.466	20	30		FDEDRO
CN1C(=O)CC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)CC[C@@H]2C1	ZINC001088071662	825937828	/nfs/dbraw/zinc/93/78/28/825937828.db2.gz	SBXKWOUQXIQJSD-QYZOEREBSA-N	1	0	366.465	1.459	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC	ZINC000522773891	826041714	/nfs/dbraw/zinc/04/17/14/826041714.db2.gz	ZQNWVDBMEOGSGL-HNNXBMFYSA-N	1	0	374.441	1.122	20	30		FDEDRO
COc1cc(C[NH2+]CCCN2CCN(c3ncccn3)CC2)ccc1C#N	ZINC000281602473	826076854	/nfs/dbraw/zinc/07/68/54/826076854.db2.gz	FZSRZUCJPPLOSS-UHFFFAOYSA-N	1	0	366.469	1.659	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4c[nH]c(=O)cn4)C[C@@H]3C2)s1	ZINC001088083913	826223021	/nfs/dbraw/zinc/22/30/21/826223021.db2.gz	OQHHFSNXSVARAG-OLZOCXBDSA-N	1	0	369.450	1.297	20	30		FDEDRO
COc1cncc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1	ZINC000281775494	826225296	/nfs/dbraw/zinc/22/52/96/826225296.db2.gz	GHOZQKYCJOGNGA-UHFFFAOYSA-N	1	0	374.466	1.714	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOC)C1	ZINC001112175331	826239656	/nfs/dbraw/zinc/23/96/56/826239656.db2.gz	WTKFSNJKCYMODI-MGPQQGTHSA-N	1	0	365.396	1.083	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cccnc4C)C[C@@H]3C2)C1=O	ZINC001088086193	826280490	/nfs/dbraw/zinc/28/04/90/826280490.db2.gz	ZEMOCTVPBZHCIO-ZIFCJYIRSA-N	1	0	368.481	1.571	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1	ZINC000281855208	826281527	/nfs/dbraw/zinc/28/15/27/826281527.db2.gz	SLHRXPRDSVCFDP-QAPCUYQASA-N	1	0	360.458	1.903	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3C[N@H+]([C@@H](C)C(=O)NC4CC4)CC[C@@H]3C2)c1	ZINC001088099746	826395877	/nfs/dbraw/zinc/39/58/77/826395877.db2.gz	AWNBHEWWNCRCDW-LESCRADOSA-N	1	0	366.465	1.124	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccnc(OC)n3)CC[C@@H]2C1	ZINC001088112526	826444844	/nfs/dbraw/zinc/44/48/44/826444844.db2.gz	KIUCJRQMJBAUAR-ATLSCFEFSA-N	1	0	372.469	1.357	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cncc(N4CCCC4)n3)C[C@@H]2C1	ZINC001088130776	826562515	/nfs/dbraw/zinc/56/25/15/826562515.db2.gz	GLWIHXGIAYOWSV-SJORKVTESA-N	1	0	353.470	1.494	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4cnoc4C)CC[C@@H]3C2)nn1	ZINC001088135202	826587494	/nfs/dbraw/zinc/58/74/94/826587494.db2.gz	AOEZUIGNGCYIOH-WBVHZDCISA-N	1	0	370.457	1.745	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3nnn(C)c3C(F)(F)F)C[C@@H]2C1	ZINC001088134233	826590721	/nfs/dbraw/zinc/59/07/21/826590721.db2.gz	ZXRLIJQAYVECBC-NEPJUHHUSA-N	1	0	355.364	1.251	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(C)CCCS3(=O)=O)C[C@@H]2C1	ZINC001088137422	826603875	/nfs/dbraw/zinc/60/38/75/826603875.db2.gz	MWSBFRWGSYRVBU-RYRKJORJSA-N	1	0	354.516	1.700	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCc3cnn(C)c3)CC[C@@H]2C1	ZINC001088136695	826608981	/nfs/dbraw/zinc/60/89/81/826608981.db2.gz	BSMWVBROOOVPKX-FYQPLNBISA-N	1	0	372.513	1.724	20	30		FDEDRO
Cn1ncc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)CC[C@@H]3C2)n1	ZINC001088139453	826641047	/nfs/dbraw/zinc/64/10/47/826641047.db2.gz	NAKGOSOTBBZFFX-SJORKVTESA-N	1	0	350.426	1.281	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C	ZINC000987464926	833098466	/nfs/dbraw/zinc/09/84/66/833098466.db2.gz	QXSBPUYMSBBPKY-AYOQOUSVSA-N	1	0	353.466	1.410	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2[nH]c3ccccc3c2C#N)CC1	ZINC000897022041	826781358	/nfs/dbraw/zinc/78/13/58/826781358.db2.gz	MLJBLXZPGOGPII-QGZVFWFLSA-N	1	0	365.437	1.418	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cncn4)n3)C[C@@H]2C1	ZINC001088155172	826854512	/nfs/dbraw/zinc/85/45/12/826854512.db2.gz	AOLDJWFCIOCQBR-CVEARBPZSA-N	1	0	352.442	1.632	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cncn4)n3)C[C@@H]2C1	ZINC001088155661	826857197	/nfs/dbraw/zinc/85/71/97/826857197.db2.gz	XBGFVVJPLBWJLX-CVEARBPZSA-N	1	0	350.426	1.080	20	30		FDEDRO
Cc1cc(C#N)ccc1C[NH+]1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1	ZINC000186169910	826894742	/nfs/dbraw/zinc/89/47/42/826894742.db2.gz	ZEFSALGVTOUVQI-UHFFFAOYSA-N	1	0	368.481	1.803	20	30		FDEDRO
CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cnn(C)c1C#N	ZINC000475185818	826901043	/nfs/dbraw/zinc/90/10/43/826901043.db2.gz	YGRFXXLUPADFFV-AWEZNQCLSA-N	1	0	361.446	1.171	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3coc(C4CCOCC4)n3)C[C@@H]2C1	ZINC001088163269	826931458	/nfs/dbraw/zinc/93/14/58/826931458.db2.gz	GRIUHKNGHYHJCW-SJORKVTESA-N	1	0	357.454	1.986	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4nnc[nH]4)C[C@@H]3C2)c1	ZINC001088165088	826942576	/nfs/dbraw/zinc/94/25/76/826942576.db2.gz	NDVHFEHDWNGINX-SJORKVTESA-N	1	0	350.426	1.199	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]nc3-c3cnn(C)c3)C[C@@H]2C1	ZINC001088166506	826949052	/nfs/dbraw/zinc/94/90/52/826949052.db2.gz	DQMBASMFHUBDGQ-ZBFHGGJFSA-N	1	0	354.458	1.780	20	30		FDEDRO
COCCOCc1cc(C#N)ccc1N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000897220478	827169662	/nfs/dbraw/zinc/16/96/62/827169662.db2.gz	WRLWTGKOSNOCKU-PMACEKPBSA-N	1	0	359.470	1.757	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1C(F)(F)F	ZINC001112178888	827169749	/nfs/dbraw/zinc/16/97/49/827169749.db2.gz	JSGYQSMFPKYNCN-HUUCEWRRSA-N	1	0	363.424	1.654	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](CC(=O)N4CCCC4)CC[C@@H]3C2)cn1	ZINC001088175360	827224706	/nfs/dbraw/zinc/22/47/06/827224706.db2.gz	SCQCTNHUKCYVOO-MSOLQXFVSA-N	1	0	366.465	1.079	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4conc4C)CC[C@@H]3C2)cn1	ZINC001088175228	827224791	/nfs/dbraw/zinc/22/47/91/827224791.db2.gz	LJWDJUOLIXDOLN-SJORKVTESA-N	1	0	350.422	1.953	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC(=O)N4)C[C@@H]3C2)s1	ZINC001088176543	827271872	/nfs/dbraw/zinc/27/18/72/827271872.db2.gz	BJKYAGBONDDHHB-WWGRRREGSA-N	1	0	358.467	1.179	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3CC(F)(F)F)C[C@@H]2C1	ZINC001088212599	827506201	/nfs/dbraw/zinc/50/62/01/827506201.db2.gz	BRPYGNKCKWYGKN-PMPSAXMXSA-N	1	0	357.420	1.817	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2C[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]3C2)cc1	ZINC001088215130	827517553	/nfs/dbraw/zinc/51/75/53/827517553.db2.gz	SGNPTEVRMMEQJG-SJORKVTESA-N	1	0	357.454	1.060	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@]34CCC[C@H]3OCC4)CC2)C1	ZINC001088235367	827605148	/nfs/dbraw/zinc/60/51/48/827605148.db2.gz	PYGHUCAQBITKEO-ZVDOUQERSA-N	1	0	360.498	1.908	20	30		FDEDRO
CN1CC[NH+](CC2CCN(C(=O)NCc3nc(C#N)cs3)CC2)CC1	ZINC000897279593	827662650	/nfs/dbraw/zinc/66/26/50/827662650.db2.gz	UJQLFFOZRHKDNC-UHFFFAOYSA-N	1	0	362.503	1.184	20	30		FDEDRO
CCO[C@H]1C[C@H](NC(=[NH2+])N2CCN(c3ncccn3)CC2)C12CCCC2	ZINC000262506269	827681838	/nfs/dbraw/zinc/68/18/38/827681838.db2.gz	BJUHBFMRDMWMDM-HOTGVXAUSA-N	1	0	358.490	1.651	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cn(CC)nn2)C[C@H]1C(F)(F)F	ZINC001112185064	827876374	/nfs/dbraw/zinc/87/63/74/827876374.db2.gz	RPZZBHVBZZRWRO-VXGBXAGGSA-N	1	0	361.368	1.093	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC000985500541	828055310	/nfs/dbraw/zinc/05/53/10/828055310.db2.gz	WLOZATGTJYFZGH-UKPHBRMFSA-N	1	0	357.458	1.337	20	30		FDEDRO
CC[N@H+](CCNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)C(C)C	ZINC000523291252	828165995	/nfs/dbraw/zinc/16/59/95/828165995.db2.gz	YSUIFDNRDLMDNI-UHFFFAOYSA-N	1	0	356.474	1.997	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1ccc(OCC(=O)NC2CC2)cc1	ZINC000526135220	828850270	/nfs/dbraw/zinc/85/02/70/828850270.db2.gz	HXENGJVWKQSOLW-AWEZNQCLSA-N	1	0	370.453	1.557	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2cncc(OC)n2)CC1	ZINC000985662532	828866086	/nfs/dbraw/zinc/86/60/86/828866086.db2.gz	XMMWEUUTCWEXJM-SJORKVTESA-N	1	0	360.458	1.499	20	30		FDEDRO
O=C(C[NH2+][C@@H](CO)[C@H]1CCCO1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000447905912	828932728	/nfs/dbraw/zinc/93/27/28/828932728.db2.gz	VYWPKTABMKIAKP-JKSUJKDBSA-N	1	0	370.371	1.303	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@H+](C)CC(=O)N2CCCC2)CC1	ZINC000985694118	829016475	/nfs/dbraw/zinc/01/64/75/829016475.db2.gz	HJIGJCKIKALDCR-HKUYNNGSSA-N	1	0	363.502	1.513	20	30		FDEDRO
CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2cc(C)nn2CCC#N)CC1	ZINC000527358788	829043734	/nfs/dbraw/zinc/04/37/34/829043734.db2.gz	JJNRFVUEUHQGDV-UHFFFAOYSA-N	1	0	360.462	1.377	20	30		FDEDRO
C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000448324672	829090280	/nfs/dbraw/zinc/09/02/80/829090280.db2.gz	IBMCNONVFLDTOE-QGZVFWFLSA-N	1	0	354.454	1.684	20	30		FDEDRO
COc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)ccc1C#N	ZINC000448550163	829178715	/nfs/dbraw/zinc/17/87/15/829178715.db2.gz	RABYTKMMTOXAPA-WMZOPIPTSA-N	1	0	356.470	1.647	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)C[C@H]1C(F)(F)F	ZINC001112193900	829243746	/nfs/dbraw/zinc/24/37/46/829243746.db2.gz	AFQCMTRUPKLOHH-IJLUTSLNSA-N	1	0	362.396	1.072	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)CC#CCN2C(=O)c3ccccc3C2=O)[C@H](C)C1	ZINC000528415846	829394714	/nfs/dbraw/zinc/39/47/14/829394714.db2.gz	JXYMDDKKHINQCV-VQIMIIECSA-N	1	0	353.466	1.948	20	30		FDEDRO
Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccccc2C#N)cn1	ZINC000528433950	829409601	/nfs/dbraw/zinc/40/96/01/829409601.db2.gz	UCNNVDOVCNLLIY-GBESFXJTSA-N	1	0	370.453	1.620	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](c2ccnc(N)n2)C1	ZINC000528480583	829420205	/nfs/dbraw/zinc/42/02/05/829420205.db2.gz	FXAXQVTUVQDJJF-JKSUJKDBSA-N	1	0	353.426	1.550	20	30		FDEDRO
C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O	ZINC000528503216	829428789	/nfs/dbraw/zinc/42/87/89/829428789.db2.gz	DLMQGLZCDVZZBJ-IRXDYDNUSA-N	1	0	367.449	1.081	20	30		FDEDRO
C[C@@H]1C[C@]2(CCO1)C[N@@H+](C[C@@H](O)COc1ccccc1C#N)C[C@H](C)O2	ZINC000528492013	829432496	/nfs/dbraw/zinc/43/24/96/829432496.db2.gz	WOOMKSBIHNYLLV-YNVMFWSZSA-N	1	0	360.454	1.956	20	30		FDEDRO
CC(C)(C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2C#N)C1)C(N)=O	ZINC000528519573	829435598	/nfs/dbraw/zinc/43/55/98/829435598.db2.gz	UNLWTJRQKWBUIP-RDJZCZTQSA-N	1	0	359.470	1.912	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[NH+]1CCC(c2ccncn2)CC1	ZINC000528521648	829435606	/nfs/dbraw/zinc/43/56/06/829435606.db2.gz	QAYQGGSYELNKTQ-UHFFFAOYSA-N	1	0	360.417	1.956	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CC[N@@H+](C[C@H](O)COc3ccccc3C#N)C2)nc1	ZINC000528504533	829437808	/nfs/dbraw/zinc/43/78/08/829437808.db2.gz	BPTFMMDDWKWZRO-ROUUACIJSA-N	1	0	364.405	1.718	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@H+]2CC3(CCOCC3)CC[C@@H]2CO)cc1	ZINC000528641564	829481462	/nfs/dbraw/zinc/48/14/62/829481462.db2.gz	ULTBPWUCDKTUCS-MOPGFXCFSA-N	1	0	374.481	1.746	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NCc1cccs1	ZINC001168109653	829524026	/nfs/dbraw/zinc/52/40/26/829524026.db2.gz	DOEUJYDGNRRXII-RDJZCZTQSA-N	1	0	365.499	1.441	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCCCCCC1	ZINC001168109642	829524286	/nfs/dbraw/zinc/52/42/86/829524286.db2.gz	DJKCIFNWTGTYAS-HKUYNNGSSA-N	1	0	365.518	1.856	20	30		FDEDRO
CC1([NH+]2CCOCC2)CCN(CC(=O)NCc2ccc(C#N)cc2)CC1	ZINC000528727414	829536055	/nfs/dbraw/zinc/53/60/55/829536055.db2.gz	LQOREQNVQBZPJX-UHFFFAOYSA-N	1	0	356.470	1.361	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3ccn(C)c3)[C@H]2C)CC1	ZINC000987590025	833427326	/nfs/dbraw/zinc/42/73/26/833427326.db2.gz	QOCVDXZATGFJPB-QAPCUYQASA-N	1	0	356.470	1.090	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1	ZINC000529313972	829822281	/nfs/dbraw/zinc/82/22/81/829822281.db2.gz	STRUUGHOECDBQQ-LJQANCHMSA-N	1	0	372.469	1.737	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNc3nc4c(cc3C#N)COCC4)cn2)CC1	ZINC000450243122	829877645	/nfs/dbraw/zinc/87/76/45/829877645.db2.gz	MXRPJGQHKJDLDF-UHFFFAOYSA-N	1	0	364.453	1.785	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@](C[NH2+]CC(N)=O)(c2ccccc2)C1	ZINC001105425536	830234077	/nfs/dbraw/zinc/23/40/77/830234077.db2.gz	LPFNECRKMJFPNS-WIRSXHRWSA-N	1	0	371.481	1.259	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(=O)[nH]n2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088455661	830387242	/nfs/dbraw/zinc/38/72/42/830387242.db2.gz	BYFSFJSTESKBMF-CJNGLKHVSA-N	1	0	367.409	1.477	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C(C)=C3CCC3)C[C@@H]2C1	ZINC000986073006	830525508	/nfs/dbraw/zinc/52/55/08/830525508.db2.gz	CKYZQIOPUDANFI-AABGKKOBSA-N	1	0	369.509	1.891	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2C1	ZINC000986083089	830586352	/nfs/dbraw/zinc/58/63/52/830586352.db2.gz	LKEVTWVOUFXJRQ-QYZOEREBSA-N	1	0	355.482	1.049	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1	ZINC000453593196	830951189	/nfs/dbraw/zinc/95/11/89/830951189.db2.gz	BHHYLHQVKMEOHX-UHFFFAOYSA-N	1	0	370.453	1.262	20	30		FDEDRO
C[N@H+](CCNC(=O)C(=O)Nc1cccc(CC#N)c1)Cc1ccccc1	ZINC000453612337	830968288	/nfs/dbraw/zinc/96/82/88/830968288.db2.gz	AYNONNFDZIXSBF-UHFFFAOYSA-N	1	0	350.422	1.939	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1	ZINC000453661562	830992643	/nfs/dbraw/zinc/99/26/43/830992643.db2.gz	BDDZSDBGKVAUGG-QGZVFWFLSA-N	1	0	370.453	1.262	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1	ZINC000532264660	831079762	/nfs/dbraw/zinc/07/97/62/831079762.db2.gz	ONYYDECSMKHBSC-OALUTQOASA-N	1	0	372.469	1.614	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CC[C@@H]2C1	ZINC000986368216	831562291	/nfs/dbraw/zinc/56/22/91/831562291.db2.gz	YVJLJYHRLYLBGD-VKJFTORMSA-N	1	0	369.469	1.291	20	30		FDEDRO
Cc1c(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]3C2)ccc2c[nH+]cn21	ZINC000986601486	832031977	/nfs/dbraw/zinc/03/19/77/832031977.db2.gz	QUPVWOKLHVQXBA-IMJJTQAJSA-N	1	0	365.437	1.723	20	30		FDEDRO
C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC000986888766	832289800	/nfs/dbraw/zinc/28/98/00/832289800.db2.gz	HBVSAKLCUUZNIP-CKEIUWERSA-N	1	0	371.485	1.583	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C[C@H](O)c1ccccc1F	ZINC001088511602	832324220	/nfs/dbraw/zinc/32/42/20/832324220.db2.gz	VADQYZIKFSCYMI-PUECVXPYSA-N	1	0	356.401	1.952	20	30		FDEDRO
C#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC001105438489	832341282	/nfs/dbraw/zinc/34/12/82/832341282.db2.gz	JDFPFUKVOXZXAM-AWQBJMPUSA-N	1	0	353.466	1.327	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1	ZINC000453932807	832355668	/nfs/dbraw/zinc/35/56/68/832355668.db2.gz	PFIHRHXKFFTENQ-GOEBONIOSA-N	1	0	356.426	1.446	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C[C@@H](O)Cc1ccc(F)cc1	ZINC001088533982	832490033	/nfs/dbraw/zinc/49/00/33/832490033.db2.gz	UQXQDXRINKAWEW-VMDGZTHMSA-N	1	0	370.428	1.822	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C[C@@H]1COc2ccccc2O1	ZINC001088533805	832490091	/nfs/dbraw/zinc/49/00/91/832490091.db2.gz	KIAVXHINFNVRAB-XYPHTWIQSA-N	1	0	366.421	1.919	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(F)F)C2	ZINC001112225934	833542894	/nfs/dbraw/zinc/54/28/94/833542894.db2.gz	SKIQRQBVLYUYMC-GUYCJALGSA-N	1	0	356.417	1.232	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1C	ZINC000988861640	837682214	/nfs/dbraw/zinc/68/22/14/837682214.db2.gz	WMHVERBZMBORQY-UWWQBHOKSA-N	1	0	371.485	1.726	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000987918882	833782639	/nfs/dbraw/zinc/78/26/39/833782639.db2.gz	HFGVAKNGTPNOTP-QILLFSRXSA-N	1	0	371.485	1.537	20	30		FDEDRO
C=CCOCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@]13C[C@H]1COC3)CCO2	ZINC001105470739	837722565	/nfs/dbraw/zinc/72/25/65/837722565.db2.gz	FXCKTMITXYAAER-KTLDDFEXSA-N	1	0	364.486	1.355	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C	ZINC000988190158	834192617	/nfs/dbraw/zinc/19/26/17/834192617.db2.gz	LTSJVBJHRWAMQQ-NJAFHUGGSA-N	1	0	370.497	1.735	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C)cn1	ZINC000988195708	834218403	/nfs/dbraw/zinc/21/84/03/834218403.db2.gz	IDQKOXXRUAPIGF-ZMYBRWDISA-N	1	0	366.465	1.124	20	30		FDEDRO
CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)NCC(C)(C)CC#N)CC2)C1	ZINC000459262021	834900415	/nfs/dbraw/zinc/90/04/15/834900415.db2.gz	SYWVWGBWQLKNRN-QGZVFWFLSA-N	1	0	365.522	1.363	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000897486331	835233694	/nfs/dbraw/zinc/23/36/94/835233694.db2.gz	NTFLFLFRWWRAJZ-HUUCEWRRSA-N	1	0	357.462	1.053	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1C	ZINC000988492527	835539102	/nfs/dbraw/zinc/53/91/02/835539102.db2.gz	HDPYSDQANSSICI-UKPHBRMFSA-N	1	0	357.458	1.480	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3cc(C)oc3C)[C@@H]2C)CC1	ZINC000988505958	835656721	/nfs/dbraw/zinc/65/67/21/835656721.db2.gz	GBRMGXOPFVJVFP-BEFAXECRSA-N	1	0	371.481	1.961	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H](C)C3CCC3)[C@@H]2C)CC1	ZINC000988505989	835656760	/nfs/dbraw/zinc/65/67/60/835656760.db2.gz	HDPRSCITHKDEHL-MDZRGWNJSA-N	1	0	359.514	1.873	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3cc(C)[nH]c3C)[C@@H]2C)CC1	ZINC000988507602	835662325	/nfs/dbraw/zinc/66/23/25/835662325.db2.gz	WPMIRBLNVCBGHW-APWZRJJASA-N	1	0	370.497	1.696	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3ncoc3C)[C@@H]2C)CC1	ZINC000988507887	835663689	/nfs/dbraw/zinc/66/36/89/835663689.db2.gz	XLELGTZEABRONC-CJNGLKHVSA-N	1	0	358.442	1.047	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)OCCO3)C[C@H]1OC	ZINC001212022502	836299272	/nfs/dbraw/zinc/29/92/72/836299272.db2.gz	UVGSIUMQHVJSAH-VQIMIIECSA-N	1	0	360.454	1.782	20	30		FDEDRO
C[C@H]1OC(C)(C)N(C(=O)C[NH3+])[C@@H]1c1nc(-c2cc(F)cc(C#N)c2)no1	ZINC001212031803	836345017	/nfs/dbraw/zinc/34/50/17/836345017.db2.gz	VOHXUOBJMVNAOJ-OTYXRUKQSA-N	1	0	359.361	1.731	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000937972002	836946318	/nfs/dbraw/zinc/94/63/18/836946318.db2.gz	ZDBYJGCRMMGXDQ-HHXXYDBFSA-N	1	0	369.465	1.370	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC000938019969	836972043	/nfs/dbraw/zinc/97/20/43/836972043.db2.gz	FDMWMNUOEVNLKT-ULQDDVLXSA-N	1	0	361.486	1.171	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCCN3CCCC3=O)[C@@H]2C)cc1	ZINC001088789157	844228259	/nfs/dbraw/zinc/22/82/59/844228259.db2.gz	XUNFXOVEMPQNSH-APWZRJJASA-N	1	0	353.466	1.873	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCN(C)C(C)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105669700	844281228	/nfs/dbraw/zinc/28/12/28/844281228.db2.gz	UTVSLGKAVCEVPW-HNBVOPMISA-N	1	0	365.518	1.397	20	30		FDEDRO
C#CC[C@@H]([NH2+]CC(=O)Nc1c(C(=O)OCC)cnn1C)c1ccccc1	ZINC000271730591	838419683	/nfs/dbraw/zinc/41/96/83/838419683.db2.gz	SECYLPPAVZIPQX-MRXNPFEDSA-N	1	0	354.410	1.890	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](C[C@H](O)Cn2cccn2)[C@@H]1C	ZINC001088622579	838463708	/nfs/dbraw/zinc/46/37/08/838463708.db2.gz	DQQWCTPGTQXVJE-IKGGRYGDSA-N	1	0	357.458	1.124	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cnc3n2CCOC3)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088636657	838692065	/nfs/dbraw/zinc/69/20/65/838692065.db2.gz	OYQQTFJSPVQFDP-PBHICJAKSA-N	1	0	365.437	1.678	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)Cc3cncn3C)[C@@H]2C)cc1	ZINC000989215206	838732646	/nfs/dbraw/zinc/73/26/46/838732646.db2.gz	LYUUYCLAAOAHOH-KDOFPFPSSA-N	1	0	350.422	1.363	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@H]2C)nc1	ZINC000989230535	838815209	/nfs/dbraw/zinc/81/52/09/838815209.db2.gz	KBTPREKFVNWGFY-WBVHZDCISA-N	1	0	368.481	1.657	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCN(C)C2=O)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088644776	838853506	/nfs/dbraw/zinc/85/35/06/838853506.db2.gz	RCGKQJWAIWLBQS-JLSDUUJJSA-N	1	0	354.454	1.506	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1	ZINC000459950922	839117511	/nfs/dbraw/zinc/11/75/11/839117511.db2.gz	SLCOBFRQLOBZJV-SFHVURJKSA-N	1	0	354.454	1.603	20	30		FDEDRO
CN(C(=O)C(=O)N1CCC(C#N)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000460003011	839220294	/nfs/dbraw/zinc/22/02/94/839220294.db2.gz	QJSFLOPKOWQBQP-LJQANCHMSA-N	1	0	368.481	1.872	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@]2(C)CCNC(=O)C2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088657330	839423860	/nfs/dbraw/zinc/42/38/60/839423860.db2.gz	AGNFHZWNDAONKM-CFLQYTFWSA-N	1	0	354.454	1.554	20	30		FDEDRO
COCc1nn(C)cc1C(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H]1C	ZINC001088676176	839583281	/nfs/dbraw/zinc/58/32/81/839583281.db2.gz	VBMNUADGPBAANV-KDOFPFPSSA-N	1	0	367.453	1.831	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc(C)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105592194	840135098	/nfs/dbraw/zinc/13/50/98/840135098.db2.gz	ZIUKAEMOOSMZPU-LBKNJMOBSA-N	1	0	356.470	1.388	20	30		FDEDRO
C#C[C@H](NC(=O)NCC[NH2+]CCOC)c1ccc(Br)cc1	ZINC000841967744	840265657	/nfs/dbraw/zinc/26/56/57/840265657.db2.gz	HKIXOCKEIQAUPX-AWEZNQCLSA-N	1	0	354.248	1.659	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000897754232	840317440	/nfs/dbraw/zinc/31/74/40/840317440.db2.gz	REDMVEIWZGYYEP-KRWDZBQOSA-N	1	0	372.513	1.916	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3snnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105593931	840381053	/nfs/dbraw/zinc/38/10/53/840381053.db2.gz	JCSJMASSBPGVED-SZXPJGKVSA-N	1	0	362.499	1.450	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)noc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105594523	840574165	/nfs/dbraw/zinc/57/41/65/840574165.db2.gz	RNLLJZJYDXSNST-ZTRFORPCSA-N	1	0	359.470	1.894	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C	ZINC000898044804	840685434	/nfs/dbraw/zinc/68/54/34/840685434.db2.gz	BBQSMZBYTPJSSF-NUJGCVRESA-N	1	0	372.469	1.216	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1	ZINC000898045106	840685607	/nfs/dbraw/zinc/68/56/07/840685607.db2.gz	GFCRULRAZGUPML-NUJGCVRESA-N	1	0	372.469	1.216	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105597483	840765362	/nfs/dbraw/zinc/76/53/62/840765362.db2.gz	FWWKBFVHPDGTEW-WERVVEIQSA-N	1	0	355.482	1.993	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H](C)[NH3+]	ZINC000667559804	844583040	/nfs/dbraw/zinc/58/30/40/844583040.db2.gz	UIBARHUPMJNRGJ-SECBINFHSA-N	1	0	356.220	1.416	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)nn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105600077	840983852	/nfs/dbraw/zinc/98/38/52/840983852.db2.gz	AIISIRAMFLMBMQ-UIXUWTQFSA-N	1	0	358.486	1.332	20	30		FDEDRO
COCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CSCC#N)[C@H]2C(C)C)C[C@H]1O	ZINC001105600136	840985406	/nfs/dbraw/zinc/98/54/06/840985406.db2.gz	BVNJVWKYCSFKKY-LMSBXDPUSA-N	1	0	369.531	1.246	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(CC)n[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105600206	840993558	/nfs/dbraw/zinc/99/35/58/840993558.db2.gz	CXIODQLNVIQYPB-FTEYMNFISA-N	1	0	358.486	1.575	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)nn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105600527	840996487	/nfs/dbraw/zinc/99/64/87/840996487.db2.gz	IXCMYMMZHXGYDS-LBKNJMOBSA-N	1	0	358.486	1.332	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105601357	841030871	/nfs/dbraw/zinc/03/08/71/841030871.db2.gz	WVXXBCOIWZSVHW-XSYGEPLQSA-N	1	0	356.470	1.388	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(C)C(C)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105601117	841038313	/nfs/dbraw/zinc/03/83/13/841038313.db2.gz	RYHNJLJWOOCXNM-ZAWLATJESA-N	1	0	351.491	1.007	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105605010	841186342	/nfs/dbraw/zinc/18/63/42/841186342.db2.gz	ZTSVVWXDURHUQP-IZBJGVDFSA-N	1	0	368.518	1.582	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CNC(=O)CCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105607859	841236831	/nfs/dbraw/zinc/23/68/31/841236831.db2.gz	ZDPVWLCXYDEWFR-SMOSDQRPSA-N	1	0	365.518	1.445	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)[C@H]2C)c1	ZINC000989997287	841765212	/nfs/dbraw/zinc/76/52/12/841765212.db2.gz	NCOCZNQEJHESET-RKVPGOIHSA-N	1	0	354.454	1.266	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCCCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105612250	841974859	/nfs/dbraw/zinc/97/48/59/841974859.db2.gz	YVBSLIOQVAJWGX-LFGUQSLTSA-N	1	0	350.503	1.793	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105614618	842227881	/nfs/dbraw/zinc/22/78/81/842227881.db2.gz	IXOUCIMWPYGYSG-FTEYMNFISA-N	1	0	354.454	1.489	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CNC(=O)CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105615426	842231169	/nfs/dbraw/zinc/23/11/69/842231169.db2.gz	UVMNRLFXRQPFLR-XNFNUYLZSA-N	1	0	365.518	1.445	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc(=O)[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105615534	842231601	/nfs/dbraw/zinc/23/16/01/842231601.db2.gz	WVFFPRDYXCRTEH-HBXLWWENSA-N	1	0	357.454	1.390	20	30		FDEDRO
COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105618874	842234375	/nfs/dbraw/zinc/23/43/75/842234375.db2.gz	BNJCTGSHSQSNLM-MTNOOBJLSA-N	1	0	360.458	1.112	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncc(F)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619527	842237553	/nfs/dbraw/zinc/23/75/53/842237553.db2.gz	MNGOSRNQWPXHPL-SOAMZJECSA-N	1	0	359.445	1.824	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3coc(CC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105620000	842240997	/nfs/dbraw/zinc/24/09/97/842240997.db2.gz	VABKZTOYJNODPP-QSFMABPGSA-N	1	0	359.470	1.840	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(=O)NCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105620178	842241759	/nfs/dbraw/zinc/24/17/59/842241759.db2.gz	XKQMCVSIAKPUGU-OHDICMOHSA-N	1	0	351.491	1.055	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnnc(C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105620084	842241968	/nfs/dbraw/zinc/24/19/68/842241968.db2.gz	WNBXSNVVPHMQCA-XSYGEPLQSA-N	1	0	356.470	1.388	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cncnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105622771	842248932	/nfs/dbraw/zinc/24/89/32/842248932.db2.gz	HPGZJXVJFMWGQG-IZBJGVDFSA-N	1	0	356.470	1.009	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C#CC(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105628564	842261587	/nfs/dbraw/zinc/26/15/87/842261587.db2.gz	WKZWKOSGUNLJGL-UKAVVXHISA-N	1	0	360.498	1.262	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3nnc(C)[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105628842	842262279	/nfs/dbraw/zinc/26/22/79/842262279.db2.gz	YLKSFIUKVJSWLN-OHDICMOHSA-N	1	0	361.490	1.198	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn4c3CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001105631569	842264871	/nfs/dbraw/zinc/26/48/71/842264871.db2.gz	DUQVQFAPMJROJK-RBAQFSTRSA-N	1	0	370.497	1.432	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc(=O)[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105614371	842265576	/nfs/dbraw/zinc/26/55/76/842265576.db2.gz	HBCCETOQUSDVJC-HBXLWWENSA-N	1	0	359.470	1.943	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CC)C3)[C@@H]2C(C)C)CCOCC1	ZINC001105636777	842268873	/nfs/dbraw/zinc/26/88/73/842268873.db2.gz	DANRUMFFABXPJB-WIRSXHRWSA-N	1	0	362.514	1.793	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cnc(C)o3)[C@H]2C(C)C)C[C@H]1O	ZINC001105637544	842272310	/nfs/dbraw/zinc/27/23/10/842272310.db2.gz	RTQWVGRHAGSAIT-JYBIWHBTSA-N	1	0	359.470	1.515	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCOCC(F)F)[C@H]2C(C)C)C[C@H]1O	ZINC001105632361	842280041	/nfs/dbraw/zinc/28/00/41/842280041.db2.gz	KQNRYZULTMREBT-KNCCTNLNSA-N	1	0	360.445	1.810	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCC)C2)[C@H]1C(C)C	ZINC001105632696	842280682	/nfs/dbraw/zinc/28/06/82/842280682.db2.gz	NLFZJMDTWGPGJU-LFGUQSLTSA-N	1	0	350.503	1.793	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3coc(OC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105643111	842328838	/nfs/dbraw/zinc/32/88/38/842328838.db2.gz	SXYQZXZBSCKQCI-JNNRSPCRSA-N	1	0	363.458	1.839	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(OC)ccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105645432	842394984	/nfs/dbraw/zinc/39/49/84/842394984.db2.gz	APOQKNVPYKGDQG-ANTGDGSKSA-N	1	0	371.481	1.693	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C4CC4)n[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105655305	842483211	/nfs/dbraw/zinc/48/32/11/842483211.db2.gz	HIUVTWIRILHESH-BNDYYXHWSA-N	1	0	370.497	1.890	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3[nH]c(C)nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105656337	842492152	/nfs/dbraw/zinc/49/21/52/842492152.db2.gz	OYHBSAFULDFACD-CIWUYKSXSA-N	1	0	358.486	1.630	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C4CC4)n[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105657249	842497213	/nfs/dbraw/zinc/49/72/13/842497213.db2.gz	XLBICQGYFLZRAS-BNDYYXHWSA-N	1	0	370.497	1.890	20	30		FDEDRO
C=CCCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)N(C)C)C2)[C@H]1C(C)C	ZINC001105658836	842499537	/nfs/dbraw/zinc/49/95/37/842499537.db2.gz	KDBQVAWTFKWGMK-SMOSDQRPSA-N	1	0	365.518	1.397	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088720722	842507340	/nfs/dbraw/zinc/50/73/40/842507340.db2.gz	WKLYONSPAPYMAL-OLMNPRSZSA-N	1	0	369.469	1.428	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCOCCO)C2)[C@@H]1C(C)C	ZINC001105660822	842578618	/nfs/dbraw/zinc/57/86/18/842578618.db2.gz	YYBJXCQHVNWBAJ-IZBJGVDFSA-N	1	0	368.518	1.318	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C[C@H]2CCCC(=O)N2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088729374	842622558	/nfs/dbraw/zinc/62/25/58/842622558.db2.gz	WLECQBJVOWBVGJ-OLMNPRSZSA-N	1	0	354.454	1.696	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCCC(=O)N2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088729373	842622743	/nfs/dbraw/zinc/62/27/43/842622743.db2.gz	WLECQBJVOWBVGJ-JLSDUUJJSA-N	1	0	354.454	1.696	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2scnc2C)C[C@@H]1O	ZINC001083470867	842651666	/nfs/dbraw/zinc/65/16/66/842651666.db2.gz	RZLKTMLUPKXCKR-WCVJEAGWSA-N	1	0	365.499	1.137	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COc3cccnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105661143	842667488	/nfs/dbraw/zinc/66/74/88/842667488.db2.gz	FHGXYDVVLDWQPU-UKAVVXHISA-N	1	0	371.481	1.450	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCn3cccc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105661212	842677124	/nfs/dbraw/zinc/67/71/24/842677124.db2.gz	GAJQEAODLMKLPA-VURPSTOHSA-N	1	0	357.498	1.868	20	30		FDEDRO
Cc1cc(CC(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)n(C)n1	ZINC001088744047	842742223	/nfs/dbraw/zinc/74/22/23/842742223.db2.gz	BNIHHKFCUJKXTF-BEFAXECRSA-N	1	0	351.454	1.922	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC[C@H]3CN(CC(=O)N4CCC4)C[C@H]32)cc1	ZINC001075959542	842828554	/nfs/dbraw/zinc/82/85/54/842828554.db2.gz	JKMFQZGPQMRSPT-PKOBYXMFSA-N	1	0	369.465	1.630	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCCCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105665614	843006276	/nfs/dbraw/zinc/00/62/76/843006276.db2.gz	APJRPQWNDPKZDW-JYBIWHBTSA-N	1	0	368.518	1.582	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCCC(N)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105666407	843139257	/nfs/dbraw/zinc/13/92/57/843139257.db2.gz	FHQPQSJYSNADHP-SMOSDQRPSA-N	1	0	365.518	1.574	20	30		FDEDRO
C[C@]12CN(C(=O)Cn3cnc(C#N)n3)C[C@]1(C)C[NH+](Cc1ccccc1)C2	ZINC000913084608	861384621	/nfs/dbraw/zinc/38/46/21/861384621.db2.gz	XENXIIMBKJMXDR-PMACEKPBSA-N	1	0	364.453	1.520	20	30		FDEDRO
C[C@@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1cccc(C#N)c1	ZINC000462020450	843287673	/nfs/dbraw/zinc/28/76/73/843287673.db2.gz	MKCKIUTVESXHBT-MRXNPFEDSA-N	1	0	354.454	1.428	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1)n1cnc(C#N)n1	ZINC000462121278	843323604	/nfs/dbraw/zinc/32/36/04/843323604.db2.gz	NHHZUOZABJFFRR-LBPRGKRZSA-N	1	0	355.402	1.217	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3nonc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667066	843483373	/nfs/dbraw/zinc/48/33/73/843483373.db2.gz	NMDHCVDZNFPJCA-RWQQGDIJSA-N	1	0	362.474	1.463	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncccc3OC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667465	843623790	/nfs/dbraw/zinc/62/37/90/843623790.db2.gz	BKUVXALUZCKLHL-HQEOYTPBSA-N	1	0	371.481	1.693	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CNC(=O)C(C)(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105667889	843711292	/nfs/dbraw/zinc/71/12/92/843711292.db2.gz	GDKWOHHYRGEXIL-RNKNFESXSA-N	1	0	365.518	1.301	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@]2(C)CCC(=O)NC2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088808914	844911842	/nfs/dbraw/zinc/91/18/42/844911842.db2.gz	YDWIOEPCTSKALH-CFLQYTFWSA-N	1	0	354.454	1.554	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O	ZINC001083505162	844932336	/nfs/dbraw/zinc/93/23/36/844932336.db2.gz	CBESAVDSRPMGJG-AQNXPRMDSA-N	1	0	355.482	1.074	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O	ZINC001083505161	844932451	/nfs/dbraw/zinc/93/24/51/844932451.db2.gz	CBESAVDSRPMGJG-AABGKKOBSA-N	1	0	355.482	1.074	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnc(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105672631	845180868	/nfs/dbraw/zinc/18/08/68/845180868.db2.gz	CAVOZHKRICPUGQ-XSYGEPLQSA-N	1	0	356.470	1.388	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccc(C)nc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105672657	845217884	/nfs/dbraw/zinc/21/78/84/845217884.db2.gz	CLCFWWUPEHQLFN-UGESXGAOSA-N	1	0	369.509	1.922	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCOCCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105672871	845225424	/nfs/dbraw/zinc/22/54/24/845225424.db2.gz	DEYPGFFGYJZOAW-LFGUQSLTSA-N	1	0	366.502	1.029	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000480927761	845948096	/nfs/dbraw/zinc/94/80/96/845948096.db2.gz	GMQLYBIXEHDWJH-ILOCAZANSA-N	1	0	365.518	1.566	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O	ZINC001083526243	846410833	/nfs/dbraw/zinc/41/08/33/846410833.db2.gz	IOVQDPXKKCJSJC-QRQLOZEOSA-N	1	0	361.486	1.390	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnc4sccn4c3=O)[C@@H]2C1	ZINC001076007533	846685320	/nfs/dbraw/zinc/68/53/20/846685320.db2.gz	DGBAFXQEKQMKFO-DZGCQCFKSA-N	1	0	358.467	1.869	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)[C@@H]2C1	ZINC001076103429	847275920	/nfs/dbraw/zinc/27/59/20/847275920.db2.gz	XTKRWFIWZZCFOV-GOEBONIOSA-N	1	0	360.458	1.628	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCc4ccccn4)[C@@H]3C2)C1=O	ZINC001076124860	847351006	/nfs/dbraw/zinc/35/10/06/847351006.db2.gz	UORALROMKHNBEI-QXAKKESOSA-N	1	0	368.481	1.334	20	30		FDEDRO
Cc1nc[nH]c(=O)c1C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001076157769	847416537	/nfs/dbraw/zinc/41/65/37/847416537.db2.gz	IAIZHSQKPWTPQO-DLBZAZTESA-N	1	0	363.421	1.709	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+](CCO[C@H]4CC4(F)F)C[C@H]32)c1	ZINC001076223125	847590616	/nfs/dbraw/zinc/59/06/16/847590616.db2.gz	JKSNSATXIAZGGI-UAGQMJEPSA-N	1	0	361.392	1.633	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3C[N@H+](C[C@@H]4CCNC(=O)CC4)C[C@H]32)c1	ZINC001076223430	847592308	/nfs/dbraw/zinc/59/23/08/847592308.db2.gz	YNPOJDPZBWIGJY-JENIJYKNSA-N	1	0	366.465	1.126	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3CN(Cc4ccc(C#N)s4)C[C@H]32)C1	ZINC001076242639	847665485	/nfs/dbraw/zinc/66/54/85/847665485.db2.gz	MCWLOIWYMVJWAS-RVKKMQEKSA-N	1	0	358.511	1.994	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cccc(OC)c4)C[C@H]32)nn1	ZINC001076336422	847883488	/nfs/dbraw/zinc/88/34/88/847883488.db2.gz	WZTUNPHGZZPVJL-QFBILLFUSA-N	1	0	367.453	1.819	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]32)cc1	ZINC001076333466	847907187	/nfs/dbraw/zinc/90/71/87/847907187.db2.gz	AZVXDVMRARSZOP-RYQLBKOJSA-N	1	0	355.438	1.109	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ncccc4C)C[C@H]32)nn1	ZINC001076345143	847920474	/nfs/dbraw/zinc/92/04/74/847920474.db2.gz	QJDOHYWKZBFGBB-QFBILLFUSA-N	1	0	366.469	1.904	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)CN(C[N@@H+]3CC[C@]4(CCOC4)C3)C2=O)cc1	ZINC000151260816	861857259	/nfs/dbraw/zinc/85/72/59/861857259.db2.gz	YLLQQMRCTGJLTK-IBGZPJMESA-N	1	0	354.410	1.392	20	30		FDEDRO
C=C(Br)CN1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1	ZINC001076457737	848181603	/nfs/dbraw/zinc/18/16/03/848181603.db2.gz	PJIPNKDVPLSILG-SOUVJXGZSA-N	1	0	356.308	1.770	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(Cc4cnnn4CC)C[C@H]32)cn1	ZINC001076476941	848241717	/nfs/dbraw/zinc/24/17/17/848241717.db2.gz	IRTPJAXHHDJSAX-MAUKXSAKSA-N	1	0	350.426	1.021	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H]2CN(Cc3nonc3C)C[C@H]21	ZINC001076504478	848301752	/nfs/dbraw/zinc/30/17/52/848301752.db2.gz	BZYBYMCSNJMOCC-PKOBYXMFSA-N	1	0	350.422	1.635	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C	ZINC001076726713	848857988	/nfs/dbraw/zinc/85/79/88/848857988.db2.gz	UBWBHVHOBVMCRP-BQFCYCMXSA-N	1	0	367.534	1.957	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C)([NH+](C)C)CC2)cc1	ZINC000913401211	861962716	/nfs/dbraw/zinc/96/27/16/861962716.db2.gz	CDBWBXZSPBDJRS-UHFFFAOYSA-N	1	0	365.499	1.707	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCc4ccccc43)C[C@H]2O)c1	ZINC001076855536	849213128	/nfs/dbraw/zinc/21/31/28/849213128.db2.gz	AFXVKAFNPLDCRB-CEXWTWQISA-N	1	0	350.422	1.739	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)C[C@H]2O)[nH]1	ZINC001076898410	849282574	/nfs/dbraw/zinc/28/25/74/849282574.db2.gz	HSRXSXJPDSTYGP-RTBURBONSA-N	1	0	350.422	1.739	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCC4)C[C@H]2O)[nH]1	ZINC001076898512	849284078	/nfs/dbraw/zinc/28/40/78/849284078.db2.gz	MRFYZUIOLGRLRL-RTBURBONSA-N	1	0	350.422	1.350	20	30		FDEDRO
[NH2+]=C(NCC1(CO)CCOCC1)N1CCN(c2ccc(F)cc2)CC1	ZINC000160772125	849323662	/nfs/dbraw/zinc/32/36/62/849323662.db2.gz	VVCBPTQUZAWGQI-UHFFFAOYSA-N	1	0	350.438	1.052	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)C[N@H+](C)C1CCC1	ZINC001077022362	849561162	/nfs/dbraw/zinc/56/11/62/849561162.db2.gz	WVAPRTDTUMMPJN-IEZWGBDMSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C(CC)CC)C2)C1	ZINC001077083645	849705676	/nfs/dbraw/zinc/70/56/76/849705676.db2.gz	BYEMSYBJEBOHPJ-DJIMGWMZSA-N	1	0	351.491	1.151	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O	ZINC001077092074	849729530	/nfs/dbraw/zinc/72/95/30/849729530.db2.gz	CBESAVDSRPMGJG-VAMGGRTRSA-N	1	0	355.482	1.074	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1O	ZINC001083578631	850964549	/nfs/dbraw/zinc/96/45/49/850964549.db2.gz	VIADXVIOQBYCNJ-NXHRZFHOSA-N	1	0	360.454	1.453	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1	ZINC000904510983	851265842	/nfs/dbraw/zinc/26/58/42/851265842.db2.gz	ORNBPDOKAVGPAR-UHFFFAOYSA-N	1	0	357.443	1.483	20	30		FDEDRO
C=CCn1c(Cc2noc(C34CCC(CC3)[NH2+]4)n2)nnc1N1CCOCC1	ZINC000904664062	851338668	/nfs/dbraw/zinc/33/86/68/851338668.db2.gz	BHIOMCGUGFZJMT-UHFFFAOYSA-N	1	0	371.445	1.016	20	30		FDEDRO
Cc1c(C#N)c(=O)n(C)cc1-c1ccc(OCCN2CC[NH+](C)CC2)cc1	ZINC000904757274	851372510	/nfs/dbraw/zinc/37/25/10/851372510.db2.gz	ANJRTKBTIVETJO-UHFFFAOYSA-N	1	0	366.465	1.859	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1	ZINC000904986375	851586423	/nfs/dbraw/zinc/58/64/23/851586423.db2.gz	JJTVKWDLLJNVSN-LSDHHAIUSA-N	1	0	360.483	1.426	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1	ZINC000913523985	862289004	/nfs/dbraw/zinc/28/90/04/862289004.db2.gz	UYBPCCJDJXWMLR-CABCVRRESA-N	1	0	366.259	1.603	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F	ZINC000905448548	851926824	/nfs/dbraw/zinc/92/68/24/851926824.db2.gz	XLNFKXYVKCLMCG-JQWIXIFHSA-N	1	0	354.275	1.446	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CCC3(CCOCC3)CO2)CCOCC1	ZINC000905425111	851932011	/nfs/dbraw/zinc/93/20/11/851932011.db2.gz	NHHOVRWEOFHEIZ-IRXDYDNUSA-N	1	0	352.475	1.623	20	30		FDEDRO
C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCC#CC[NH+](C)C	ZINC000913517047	862300222	/nfs/dbraw/zinc/30/02/22/862300222.db2.gz	QFLUKVKQCNURKX-LLVKDONJSA-N	1	0	356.253	1.793	20	30		FDEDRO
COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)NCC#CC[NH+](C)C)cc1OC	ZINC000913516920	862300310	/nfs/dbraw/zinc/30/03/10/862300310.db2.gz	LRCOMVVJHQUMFP-ZIAGYGMSSA-N	1	0	373.453	1.593	20	30		FDEDRO
COC(=O)c1cc(C[NH2+]C[C@H](O)COc2ccccc2C#N)n(C)c1C	ZINC000905441882	851944836	/nfs/dbraw/zinc/94/48/36/851944836.db2.gz	XBTISPCGNMWTIJ-INIZCTEOSA-N	1	0	357.410	1.521	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)CCSCc1nc2ccccc2c(=O)[nH]1	ZINC000913518811	862302498	/nfs/dbraw/zinc/30/24/98/862302498.db2.gz	BQZKTCKTSQEJEJ-UHFFFAOYSA-N	1	0	358.467	1.640	20	30		FDEDRO
C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)O2	ZINC000905481045	851952827	/nfs/dbraw/zinc/95/28/27/851952827.db2.gz	CTDXAXALBRRYFK-DIKXUDHVSA-N	1	0	352.475	1.620	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1occc1CN1C(=O)Cc2ccccc21	ZINC000913518119	862303187	/nfs/dbraw/zinc/30/31/87/862303187.db2.gz	FCCFCHZAUQYKIX-UHFFFAOYSA-N	1	0	351.406	1.664	20	30		FDEDRO
C#CCN1CCC[C@H]([NH2+]C[C@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000905462507	851963590	/nfs/dbraw/zinc/96/35/90/851963590.db2.gz	UEXNPBFKHBARPA-PXNSSMCTSA-N	1	0	365.518	1.826	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@H](O)Cc2ccccc2F)c1	ZINC000905470979	851969164	/nfs/dbraw/zinc/96/91/64/851969164.db2.gz	FLTBVBDIQQXWBQ-MRXNPFEDSA-N	1	0	362.426	1.664	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F	ZINC000913522706	862308719	/nfs/dbraw/zinc/30/87/19/862308719.db2.gz	VXDIVGLSRMVCSN-CYBMUJFWSA-N	1	0	359.417	1.560	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](CO)CCc2ccccc2)cc1	ZINC000905542969	852004685	/nfs/dbraw/zinc/00/46/85/852004685.db2.gz	LJEKQEBCWMKVFM-SFHVURJKSA-N	1	0	358.463	1.915	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]C[C@@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1	ZINC000905590848	852081770	/nfs/dbraw/zinc/08/17/70/852081770.db2.gz	GSJDRNHTHQEWPP-HVEKOLDVSA-N	1	0	350.459	1.385	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]1C[NH2+]C[C@H](O)CC1(C#N)CCOCC1	ZINC000905591245	852082731	/nfs/dbraw/zinc/08/27/31/852082731.db2.gz	HUNOJTQFNGBJMB-LSDHHAIUSA-N	1	0	353.463	1.657	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]CCc2cccc3c2OCCO3)cc1	ZINC000905617196	852113982	/nfs/dbraw/zinc/11/39/82/852113982.db2.gz	OABZZSRNDQWXCI-KRWDZBQOSA-N	1	0	354.406	1.901	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCc1cccc2c1OCCO2	ZINC000905616753	852114274	/nfs/dbraw/zinc/11/42/74/852114274.db2.gz	MPFCJDUEQXCXOY-KRWDZBQOSA-N	1	0	354.406	1.901	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H]([NH2+][C@@H]2CCCN3CCSC[C@@H]23)C1=O	ZINC000905855445	852356768	/nfs/dbraw/zinc/35/67/68/852356768.db2.gz	RJNXITUIBCGNTG-ILXRZTDVSA-N	1	0	362.524	1.894	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@H](C)O[C@@H](C)C1)C(C)C	ZINC000668531886	852692905	/nfs/dbraw/zinc/69/29/05/852692905.db2.gz	NVLODYMQPCMCKN-FGTMMUONSA-N	1	0	365.518	1.827	20	30		FDEDRO
CC(=O)CCn1cc(CNC2(c3ccc(C#N)cc3)CCOCC2)nn1	ZINC000906319761	852788611	/nfs/dbraw/zinc/78/86/11/852788611.db2.gz	DNCHORFALPGKBR-UHFFFAOYSA-N	1	0	353.426	1.924	20	30		FDEDRO
N#C[C@]1(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC2CCC1CC2	ZINC000906713720	853203608	/nfs/dbraw/zinc/20/36/08/853203608.db2.gz	FYYFOPBPNBCUCB-SMRJSYMMSA-N	1	0	360.502	1.229	20	30		FDEDRO
COc1ncccc1S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000906842451	853388817	/nfs/dbraw/zinc/38/88/17/853388817.db2.gz	FPTHFVHNHSFABX-UHFFFAOYSA-N	1	0	374.466	1.714	20	30		FDEDRO
C[NH+](C)CCOc1cccc(CNS(=O)(=O)c2ccc(C#N)cn2)c1	ZINC000906847260	853399199	/nfs/dbraw/zinc/39/91/99/853399199.db2.gz	XQZUSKNTDHZKMW-UHFFFAOYSA-N	1	0	360.439	1.372	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1	ZINC001060256250	862464101	/nfs/dbraw/zinc/46/41/01/862464101.db2.gz	AAKJFRXLHNRALB-KURKYZTESA-N	1	0	365.518	1.664	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1	ZINC000906966432	853593059	/nfs/dbraw/zinc/59/30/59/853593059.db2.gz	GGSODADTDZFXOA-JKSUJKDBSA-N	1	0	356.474	1.507	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1	ZINC000907163678	853863726	/nfs/dbraw/zinc/86/37/26/853863726.db2.gz	AQGPZIKGIAHJCD-KRWDZBQOSA-N	1	0	356.451	1.754	20	30		FDEDRO
C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(C#N)cn2)CCN1Cc1ccccc1	ZINC000907194756	853937624	/nfs/dbraw/zinc/93/76/24/853937624.db2.gz	RFYDSPQFDDOQOG-PBHICJAKSA-N	1	0	356.451	1.895	20	30		FDEDRO
C=CCN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000486215194	853995441	/nfs/dbraw/zinc/99/54/41/853995441.db2.gz	AROBOVPJNAGDPW-RLFYNMQTSA-N	1	0	354.458	1.936	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@H]1CCCc2cc(OC)ccc21	ZINC000164310862	862532096	/nfs/dbraw/zinc/53/20/96/862532096.db2.gz	QBBBUBGXHQQDKD-QGZVFWFLSA-N	1	0	360.502	1.612	20	30		FDEDRO
O=C(NO)c1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1	ZINC000907817150	854684316	/nfs/dbraw/zinc/68/43/16/854684316.db2.gz	FSAPWJLSFUPLRE-SFHVURJKSA-N	1	0	368.437	1.729	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1	ZINC000908166907	855105885	/nfs/dbraw/zinc/10/58/85/855105885.db2.gz	ZVGIPMUZAAVXEN-JKSUJKDBSA-N	1	0	353.463	1.391	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N[C@]12CCC[C@H]1[N@H+](Cc1cccc(C#N)c1)CC2	ZINC000991116853	855134473	/nfs/dbraw/zinc/13/44/73/855134473.db2.gz	JHGHAEHRMIXGIY-FCBIJRMHSA-N	1	0	369.465	1.975	20	30		FDEDRO
CC(C)[NH+]1CCN(CCC(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1	ZINC000908253800	855240535	/nfs/dbraw/zinc/24/05/35/855240535.db2.gz	CZDURUMPABVALP-UHFFFAOYSA-N	1	0	367.457	1.494	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)[C@@H](O)C1	ZINC001083618141	855491808	/nfs/dbraw/zinc/49/18/08/855491808.db2.gz	RZIHFOAEQHMEIO-HLLBOEOZSA-N	1	0	350.846	1.771	20	30		FDEDRO
C=CCn1c(-c2cn(C)nn2)nnc1N1CCN(c2cc[nH+]cc2)[C@H](C)C1	ZINC000908694848	855684140	/nfs/dbraw/zinc/68/41/40/855684140.db2.gz	GQNAZMHANSLXNN-CQSZACIVSA-N	1	0	365.445	1.370	20	30		FDEDRO
C=CCn1c(-c2cccnn2)nnc1N1CCC(C[NH+]2CCOCC2)CC1	ZINC000908702153	855705793	/nfs/dbraw/zinc/70/57/93/855705793.db2.gz	HYWKPFWMYDBVKQ-UHFFFAOYSA-N	1	0	369.473	1.470	20	30		FDEDRO
C=CCn1c(-c2ncnc3[nH]cnc32)nnc1N1CC[NH+](CCC)CC1	ZINC000908712272	855714828	/nfs/dbraw/zinc/71/48/28/855714828.db2.gz	QKSNHAWGIBPNMU-UHFFFAOYSA-N	1	0	353.434	1.281	20	30		FDEDRO
C=CCn1c(-c2ccc(=O)n(C)c2)nnc1N1CC[C@H](C[NH+](CC)CC)C1	ZINC000908742094	855739841	/nfs/dbraw/zinc/73/98/41/855739841.db2.gz	RLEAXAJRCKGINJ-MRXNPFEDSA-N	1	0	370.501	1.998	20	30		FDEDRO
C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H](CCCC#N)c2ccccc2)CC1=O	ZINC000487189033	856101253	/nfs/dbraw/zinc/10/12/53/856101253.db2.gz	UVEOTRUWEPADLT-ROUUACIJSA-N	1	0	356.470	1.948	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1	ZINC000669273683	862776314	/nfs/dbraw/zinc/77/63/14/862776314.db2.gz	FLLOFIQJGJZXCJ-NJAFHUGGSA-N	1	0	363.502	1.295	20	30		FDEDRO
C=C(C)Cn1c(-c2ncnc3[nH]cnc32)nnc1N1CC[N@@H+](C)C(C)(C)C1	ZINC000909311983	856426563	/nfs/dbraw/zinc/42/65/63/856426563.db2.gz	NZXKMCADPGBMNM-UHFFFAOYSA-N	1	0	367.461	1.670	20	30		FDEDRO
C=C(C)Cn1c(-c2ncnc3[nH]cnc32)nnc1N1CC[N@@H+](CC)[C@@H](C)C1	ZINC000909312071	856427376	/nfs/dbraw/zinc/42/73/76/856427376.db2.gz	CYESGKSRARHLQG-ZDUSSCGKSA-N	1	0	367.461	1.670	20	30		FDEDRO
C#CCCCc1nnc(N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)n1C[C@@H]1CCCO1	ZINC000909775270	856542404	/nfs/dbraw/zinc/54/24/04/856542404.db2.gz	MHFPGRVZSZPSPR-UWVAXJGDSA-N	1	0	357.502	1.801	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1	ZINC000668814979	856989560	/nfs/dbraw/zinc/98/95/60/856989560.db2.gz	ZUPYMPRMXRZYAD-PKOBYXMFSA-N	1	0	373.497	1.865	20	30		FDEDRO
N#C[C@@H]1CCCN(c2nnc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2CC2CC2)C1	ZINC000910396116	857165376	/nfs/dbraw/zinc/16/53/76/857165376.db2.gz	WTCIAVGXXOQOJU-BBWFWOEESA-N	1	0	356.474	1.964	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCc3ccc(O)cc32)CC1	ZINC000668835815	857527362	/nfs/dbraw/zinc/52/73/62/857527362.db2.gz	KFNZMBIXMBLEKR-GOSISDBHSA-N	1	0	357.454	1.652	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](C)[C@H]2CCO)CC1	ZINC000668839620	857626676	/nfs/dbraw/zinc/62/66/76/857626676.db2.gz	ACQPVBIRCVSWFX-NVXWUHKLSA-N	1	0	351.491	1.153	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)N(c1ccc(C#N)cn1)[C@H]1CCC[NH2+]C1	ZINC000910857387	857786348	/nfs/dbraw/zinc/78/63/48/857786348.db2.gz	FGEHFSACDWWMFJ-KRWDZBQOSA-N	1	0	369.469	1.901	20	30		FDEDRO
C#CCN(C(=O)C(=O)N(C)CCOc1ccccc1)C1CC[NH+](C)CC1	ZINC000910884808	857835504	/nfs/dbraw/zinc/83/55/04/857835504.db2.gz	DWWPXVRVPJLTAK-UHFFFAOYSA-N	1	0	357.454	1.080	20	30		FDEDRO
C#CCN(C(=O)C(=O)N(C)Cc1ccc(OCC)cc1)C1CC[NH+](C)CC1	ZINC000910886870	857839732	/nfs/dbraw/zinc/83/97/32/857839732.db2.gz	WXALEVYMSMYHBB-UHFFFAOYSA-N	1	0	371.481	1.600	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+]	ZINC000911001210	858018484	/nfs/dbraw/zinc/01/84/84/858018484.db2.gz	KGNGWMXUFLEAAJ-OXQOHEQNSA-N	1	0	357.454	1.598	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[NH2+]C[C@@H]1CCOC	ZINC000911050011	858042739	/nfs/dbraw/zinc/04/27/39/858042739.db2.gz	TZSFQVUZPMYFMN-MSOLQXFVSA-N	1	0	359.470	1.127	20	30		FDEDRO
C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1	ZINC000669331551	862985770	/nfs/dbraw/zinc/98/57/70/862985770.db2.gz	KORLYDYKCHIAGA-HNNXBMFYSA-N	1	0	358.494	1.818	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1	ZINC000911324942	858465078	/nfs/dbraw/zinc/46/50/78/858465078.db2.gz	NCSMIDHKKROHOG-HDICACEKSA-N	1	0	362.518	1.276	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1	ZINC000911393181	858579910	/nfs/dbraw/zinc/57/99/10/858579910.db2.gz	VXVRHZAQBCCYIX-GOSISDBHSA-N	1	0	371.481	1.476	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c1	ZINC000911403767	858592579	/nfs/dbraw/zinc/59/25/79/858592579.db2.gz	TUEYVTUUFSFFPO-AAEUAGOBSA-N	1	0	372.322	1.052	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21	ZINC000911574139	858796882	/nfs/dbraw/zinc/79/68/82/858796882.db2.gz	ODWGREAFUBBMLE-UZLBHIALSA-N	1	0	355.438	1.559	20	30		FDEDRO
CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)C2CN(C)CC[N@H+](C)C2)C1	ZINC000912256216	859510341	/nfs/dbraw/zinc/51/03/41/859510341.db2.gz	SXWMMPSWHQZPER-IBGZPJMESA-N	1	0	355.486	1.089	20	30		FDEDRO
C[NH+](C)CCn1nccc1C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000912296630	859570716	/nfs/dbraw/zinc/57/07/16/859570716.db2.gz	UKHUTUOADQRFLF-IBGZPJMESA-N	1	0	352.442	1.537	20	30		FDEDRO
C[C@]1(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C[NH+]2CCC1CC2	ZINC000912381389	859660785	/nfs/dbraw/zinc/66/07/85/859660785.db2.gz	ZWKJEYNJHOAPOK-IBGZPJMESA-N	1	0	350.426	1.540	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H](NC(=O)C[C@@H]3C[C@H]3C3CC3)[C@@H](O)C2)cc1F	ZINC001083654986	859853088	/nfs/dbraw/zinc/85/30/88/859853088.db2.gz	PMXWYQJREKHCGV-DKKFBQAASA-N	1	0	357.429	1.795	20	30		FDEDRO
O=C(NC[C@@H]1CCCN(C(=O)NCC#Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1	ZINC000668994442	860031055	/nfs/dbraw/zinc/03/10/55/860031055.db2.gz	BJWFDMWSJZPKIZ-OALUTQOASA-N	1	0	368.481	1.328	20	30		FDEDRO
Cc1c(C(=O)N2CC[NH2+][C@H](Cc3ccc(F)cc3)C2)cnn1CCC#N	ZINC001168743148	881497099	/nfs/dbraw/zinc/49/70/99/881497099.db2.gz	NHTXHFIXWSHLQJ-QGZVFWFLSA-N	1	0	355.417	1.901	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnn(C(C)C)c2)C[C@H]1C	ZINC001106869443	881513181	/nfs/dbraw/zinc/51/31/81/881513181.db2.gz	FOSDWMYQEKIEDX-BZUAXINKSA-N	1	0	361.490	1.452	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)CCn1cccn1	ZINC000669033865	860865560	/nfs/dbraw/zinc/86/55/60/860865560.db2.gz	BGRWBBFCULMPQZ-CVEARBPZSA-N	1	0	357.462	1.333	20	30		FDEDRO
C=CCn1c(-c2cn(C)nn2)nnc1N1CC[NH+](C2CCCCC2)CC1	ZINC000669039806	860919871	/nfs/dbraw/zinc/91/98/71/860919871.db2.gz	SNNKXTYJPVGJCM-UHFFFAOYSA-N	1	0	356.478	1.714	20	30		FDEDRO
C=CCn1c([C@@H]2CCO[C@@H]2C)nnc1N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000669045199	860994081	/nfs/dbraw/zinc/99/40/81/860994081.db2.gz	GQRQOILURMYYEJ-IXDOHACOSA-N	1	0	363.506	1.904	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(Br)nn2C)c1C#N	ZINC000760787137	863198970	/nfs/dbraw/zinc/19/89/70/863198970.db2.gz	HMILRJJTIFGJTK-UHFFFAOYSA-N	1	0	366.223	1.182	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H]2CCCOC2)C1	ZINC001112101578	863303400	/nfs/dbraw/zinc/30/34/00/863303400.db2.gz	SZRVSWFPKCVQES-RRFJBIMHSA-N	1	0	362.392	1.432	20	30		FDEDRO
Cc1nnc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)CSCC#N)C[C@H]2C)s1	ZINC001105846440	863477893	/nfs/dbraw/zinc/47/78/93/863477893.db2.gz	VSEGEARNKOBMQZ-NTZNESFSSA-N	1	0	353.517	1.848	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C(CC)CC)C[C@H]1C	ZINC001105850384	863488063	/nfs/dbraw/zinc/48/80/63/863488063.db2.gz	PKZLHQKTSRBUHB-IJEWVQPXSA-N	1	0	366.506	1.507	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)OCC)C[C@H]1C	ZINC001105856996	863530999	/nfs/dbraw/zinc/53/09/99/863530999.db2.gz	GGERELWSWURHDJ-IXDOHACOSA-N	1	0	351.491	1.296	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)N2C(=O)CCC2=O)C[C@H]1C(F)(F)F	ZINC001112110617	863741436	/nfs/dbraw/zinc/74/14/36/863741436.db2.gz	YFKQICKEPRCODC-IJLUTSLNSA-N	1	0	361.364	1.079	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CNc2ccc(C#N)nn2)CC[N@@H+]1C	ZINC001060316481	863782169	/nfs/dbraw/zinc/78/21/69/863782169.db2.gz	XETZBIZGUCOLJY-IXDOHACOSA-N	1	0	356.474	1.872	20	30		FDEDRO
C#CCNS(=O)(=O)N1CC[NH+]([C@@H](C)CCSc2ccccc2)CC1	ZINC000761038238	863874529	/nfs/dbraw/zinc/87/45/29/863874529.db2.gz	UOUHTHREFOOCQP-INIZCTEOSA-N	1	0	367.540	1.643	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)C2CC2)[C@H](C)C1	ZINC001105910876	863927187	/nfs/dbraw/zinc/92/71/87/863927187.db2.gz	ZUCWBXOVLXRJNE-BRWVUGGUSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nc(N(C)C)no2)[C@H](C)C1	ZINC001105912991	863949734	/nfs/dbraw/zinc/94/97/34/863949734.db2.gz	QWXAPVCSRFFBQK-RBSFLKMASA-N	1	0	365.478	1.301	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C(C)C)[C@H](C)C1	ZINC001105914789	863969180	/nfs/dbraw/zinc/96/91/80/863969180.db2.gz	FILDUCCNKPIVJJ-IXDOHACOSA-N	1	0	353.507	1.519	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CCC)[C@H](C)C1	ZINC001105915205	863974027	/nfs/dbraw/zinc/97/40/27/863974027.db2.gz	WWFOAAMVRWBURU-BRWVUGGUSA-N	1	0	363.506	1.853	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CC)[C@H](C)C1	ZINC001105915224	863974065	/nfs/dbraw/zinc/97/40/65/863974065.db2.gz	XEKUDSZFPLOXMV-IXDOHACOSA-N	1	0	353.507	1.520	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC2CCCCC2)[C@H](C)C1	ZINC001105938588	864133750	/nfs/dbraw/zinc/13/37/50/864133750.db2.gz	SSRZHMBFPNNSBD-BRWVUGGUSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@H](C)CCC(C)C)[C@H](C)C1	ZINC001105938377	864133893	/nfs/dbraw/zinc/13/38/93/864133893.db2.gz	SDJCFMREFUABLH-KZNAEPCWSA-N	1	0	367.534	1.814	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccc(O)cc2)[C@H](C)C1	ZINC001105938723	864133931	/nfs/dbraw/zinc/13/39/31/864133931.db2.gz	WYWGDYMDFAKGSN-HUUCEWRRSA-N	1	0	361.442	1.217	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+][C@H]2CCc3ccccc3NC2=O)[C@H](C)C1	ZINC001105941883	864153039	/nfs/dbraw/zinc/15/30/39/864153039.db2.gz	OMGZYVYJRKRTKE-SUMDDJOVSA-N	1	0	371.481	1.827	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC[C@@H](C)C2)[C@H](C)C1	ZINC001105942516	864160609	/nfs/dbraw/zinc/16/06/09/864160609.db2.gz	KEZZPLJZVIQJSF-BRWVUGGUSA-N	1	0	351.491	1.132	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC[C@H](C)C2)[C@H](C)C1	ZINC001105942517	864160903	/nfs/dbraw/zinc/16/09/03/864160903.db2.gz	KEZZPLJZVIQJSF-GVDBMIGSSA-N	1	0	351.491	1.132	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CCOc2cccc(OC)c2)[C@H](C)C1	ZINC001105942971	864163321	/nfs/dbraw/zinc/16/33/21/864163321.db2.gz	TZUVUNXGMAMSQZ-IAGOWNOFSA-N	1	0	362.470	1.961	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCOC2)C[C@H]1C	ZINC001105969478	864274960	/nfs/dbraw/zinc/27/49/60/864274960.db2.gz	BDPJIHVYRRIXFA-KZNAEPCWSA-N	1	0	365.518	1.522	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+][C@H](CCCC)C(N)=O)[C@H](C)C1	ZINC001105981516	864325692	/nfs/dbraw/zinc/32/56/92/864325692.db2.gz	BGGITHUFEJICEF-BRWVUGGUSA-N	1	0	353.507	1.697	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]CCNC(=O)C2CC2)[C@H](C)C1	ZINC001105982683	864335330	/nfs/dbraw/zinc/33/53/30/864335330.db2.gz	SSZGSHSYLWOUCT-NVXWUHKLSA-N	1	0	351.491	1.180	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](C[C@H]3CCc4ncnn43)[C@@H]2C)c1	ZINC001088846916	864553461	/nfs/dbraw/zinc/55/34/61/864553461.db2.gz	NTJUGBJROSDZCY-XYPHTWIQSA-N	1	0	350.426	1.035	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccn(C)c2)C[C@H]1C	ZINC001106005818	864573195	/nfs/dbraw/zinc/57/31/95/864573195.db2.gz	GVSCUJGTFYJHPT-NVXWUHKLSA-N	1	0	359.474	1.085	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3c[nH]c(=O)cc3C)[C@H]2C)C1=O	ZINC001088848695	864588662	/nfs/dbraw/zinc/58/86/62/864588662.db2.gz	JXOJBWONEYKLSF-VNQPRFMTSA-N	1	0	358.442	1.075	20	30		FDEDRO
CCn1cc(CC[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)cn1	ZINC001106016403	864639339	/nfs/dbraw/zinc/63/93/39/864639339.db2.gz	XAXVHNNAGFIJJU-GDBMZVCRSA-N	1	0	354.458	1.643	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCCO2)C[C@H]1C	ZINC001106012353	864645008	/nfs/dbraw/zinc/64/50/08/864645008.db2.gz	ILDDAIIIHZSJHU-ZACQAIPSSA-N	1	0	364.490	1.002	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]C[C@H](O)CC(F)(F)F	ZINC001106015567	864654925	/nfs/dbraw/zinc/65/49/25/864654925.db2.gz	GXSPULFLWJQWLF-NQBHXWOUSA-N	1	0	358.364	1.497	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]CCCCCn1cncn1	ZINC001106015844	864656298	/nfs/dbraw/zinc/65/62/98/864656298.db2.gz	NBOJUVGIAMJAKE-HZPDHXFCSA-N	1	0	369.473	1.646	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]CC(=O)NCc1ccco1	ZINC001106025553	864789417	/nfs/dbraw/zinc/78/94/17/864789417.db2.gz	XJDDMLOGTAQBNZ-UKRRQHHQSA-N	1	0	369.425	1.093	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+]CCNC(=O)NC(C)(C)C)[C@H](C)C1	ZINC001106026094	864811976	/nfs/dbraw/zinc/81/19/76/864811976.db2.gz	VUGYGEWUUXBGRL-IAGOWNOFSA-N	1	0	364.534	1.962	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NCC)[C@H](C)C1	ZINC001106026032	864815659	/nfs/dbraw/zinc/81/56/59/864815659.db2.gz	SGGJSEKYMRDDNB-BZUAXINKSA-N	1	0	364.490	1.098	20	30		FDEDRO
C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CC[NH+](C3CC3)CC2)C1=O	ZINC000170638316	864852034	/nfs/dbraw/zinc/85/20/34/864852034.db2.gz	IUDVBUDDYPPJOO-LJQANCHMSA-N	1	0	353.426	1.063	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)c(C#N)c2)[C@H](C)C1	ZINC001106029525	864885049	/nfs/dbraw/zinc/88/50/49/864885049.db2.gz	WCWIZBUKACKJDM-RHSMWYFYSA-N	1	0	370.428	1.021	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@H]2CCOC2)[C@H](C)C1	ZINC001106030519	864893848	/nfs/dbraw/zinc/89/38/48/864893848.db2.gz	BBLAQWCEZMPXKB-KZNAEPCWSA-N	1	0	363.502	1.017	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C)c(C)c2)[C@H](C)C1	ZINC001106034745	864914938	/nfs/dbraw/zinc/91/49/38/864914938.db2.gz	LSIUDUICGXCERI-IEBWSBKVSA-N	1	0	355.482	1.627	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccoc2)C[C@H]1C	ZINC001106044579	864965331	/nfs/dbraw/zinc/96/53/31/864965331.db2.gz	XJXQAFIXUPQYNQ-SJLPKXTDSA-N	1	0	359.470	1.707	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)/C=C/c2ccc[nH]2)C[C@H]1C	ZINC001106050481	865013647	/nfs/dbraw/zinc/01/36/47/865013647.db2.gz	QULKWFGQMHXFSV-NXVGNOFTSA-N	1	0	371.485	1.474	20	30		FDEDRO
COc1ccccc1CNC(=[NH2+])NCCN1C(=O)c2ccccc2C1=O	ZINC000170909027	865014759	/nfs/dbraw/zinc/01/47/59/865014759.db2.gz	IYGHQMJFMXLIIN-UHFFFAOYSA-N	1	0	352.394	1.396	20	30		FDEDRO
[NH2+]=C(NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)Nc1ccccn1	ZINC000170910758	865016160	/nfs/dbraw/zinc/01/61/60/865016160.db2.gz	RVQDCWCDSRGBHC-INIZCTEOSA-N	1	0	353.426	1.917	20	30		FDEDRO
Cc1cc(CON=C(N)CCN2CC[NH+](Cc3ccccc3)CC2)on1	ZINC000170982873	865052132	/nfs/dbraw/zinc/05/21/32/865052132.db2.gz	QMCUFPZQVCMRQQ-UHFFFAOYSA-N	1	0	357.458	1.980	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nc(C3CC3)nn2C)[C@H](C)C1	ZINC001106064798	865103122	/nfs/dbraw/zinc/10/31/22/865103122.db2.gz	IJYOQSGRQJLAMC-ZXYWRSMDSA-N	1	0	361.490	1.204	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nnc(C(C)(C)C)o2)[C@H](C)C1	ZINC001106065183	865105327	/nfs/dbraw/zinc/10/53/27/865105327.db2.gz	SJCBHFBDVUVBKO-LPMFXHHGSA-N	1	0	364.490	1.878	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(C)(C)C)[C@H](C)C1	ZINC001106064714	865109164	/nfs/dbraw/zinc/10/91/64/865109164.db2.gz	FPENTSOORYWXAZ-CLCXKQKWSA-N	1	0	353.507	1.160	20	30		FDEDRO
CC(C)C[C@H](NC(=O)Cc1ccc(C#N)nc1)C(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000599969042	865166542	/nfs/dbraw/zinc/16/65/42/865166542.db2.gz	RAFMYFXAEIKYHS-MSOLQXFVSA-N	1	0	371.485	1.189	20	30		FDEDRO
Cc1ccn(CC(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)c(=O)c1	ZINC001088892921	865263218	/nfs/dbraw/zinc/26/32/18/865263218.db2.gz	XZKAYNVKXFIDCX-APWZRJJASA-N	1	0	364.449	1.808	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](C[C@@H](OC)C3CCCC3)[C@@H]2C)nn1	ZINC001088906905	865370603	/nfs/dbraw/zinc/37/06/03/865370603.db2.gz	QXZKUOWOFJLBQZ-UWWQBHOKSA-N	1	0	361.490	1.862	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)[C@@H]1C	ZINC001088908749	865380168	/nfs/dbraw/zinc/38/01/68/865380168.db2.gz	PVBIBHIMCHHGIA-HYJFEMIMSA-N	1	0	373.497	1.836	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C[C@H]2CCC(=O)N2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088916403	865423547	/nfs/dbraw/zinc/42/35/47/865423547.db2.gz	QDUANRZZSRQKMI-KYJSFNMBSA-N	1	0	370.453	1.337	20	30		FDEDRO
CCCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)nn1	ZINC001088946039	865623739	/nfs/dbraw/zinc/62/37/39/865623739.db2.gz	BSYPLNUFQVMYMB-PBHICJAKSA-N	1	0	352.442	1.953	20	30		FDEDRO
CCC(=O)N1CC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)C1	ZINC001088963448	865741151	/nfs/dbraw/zinc/74/11/51/865741151.db2.gz	HSBYKNPRQHPYQL-MNEFBYGVSA-N	1	0	368.481	1.896	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](CCc2ccnn2C)[C@@H]1C	ZINC001088989943	865945998	/nfs/dbraw/zinc/94/59/98/865945998.db2.gz	XHPXPXOCFUTZPS-QAPCUYQASA-N	1	0	367.453	1.262	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCCc3nc(C)no3)[C@@H]2C)nc1	ZINC001088990706	865949936	/nfs/dbraw/zinc/94/99/36/865949936.db2.gz	MBEBEDVAIZNDAC-CJNGLKHVSA-N	1	0	353.426	1.580	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3ccccc3F)[C@H]2C)C1=O	ZINC001089016815	866045952	/nfs/dbraw/zinc/04/59/52/866045952.db2.gz	WHCWMRLZGWMTDV-FHLIZLRMSA-N	1	0	359.445	1.734	20	30		FDEDRO
CC(=O)N1CC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)C1	ZINC001089009528	866068346	/nfs/dbraw/zinc/06/83/46/866068346.db2.gz	LNAFSQOPZIFAQK-CCKFTAQKSA-N	1	0	354.454	1.506	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3cccc(F)c3)[C@H]2C)C1=O	ZINC001089022737	866117402	/nfs/dbraw/zinc/11/74/02/866117402.db2.gz	LDXWXOVWZNKBLK-FHLIZLRMSA-N	1	0	359.445	1.734	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C2CCN(C(N)=O)CC2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001089029576	866145424	/nfs/dbraw/zinc/14/54/24/866145424.db2.gz	HRZAMPBBYOYKHM-KDOFPFPSSA-N	1	0	369.469	1.428	20	30		FDEDRO
COc1ccc(CN2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C)cc1C#N	ZINC001089037722	866207411	/nfs/dbraw/zinc/20/74/11/866207411.db2.gz	OTVICXJOYIGRPN-HFTRVMKXSA-N	1	0	356.470	1.598	20	30		FDEDRO
C#CCCCNC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000174077033	866249434	/nfs/dbraw/zinc/24/94/34/866249434.db2.gz	VCCYMXKHOXKVRX-UHFFFAOYSA-N	1	0	358.486	1.920	20	30		FDEDRO
COc1ccc(CN2C[C@@H](NC(=O)[C@@H]3C[C@H]3C3CCC3)[C@@H](O)C2)cc1C#N	ZINC001083850230	881980984	/nfs/dbraw/zinc/98/09/84/881980984.db2.gz	RZXCFWCFGILBOQ-MANSERQUSA-N	1	0	369.465	1.664	20	30		FDEDRO
C=CCC(CC=C)C(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001061610027	882002030	/nfs/dbraw/zinc/00/20/30/882002030.db2.gz	DGVZHBHOAOSETD-KBAYOESNSA-N	1	0	363.502	1.439	20	30		FDEDRO
CN(CC(C)(C)C#N)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000457449945	867496665	/nfs/dbraw/zinc/49/66/65/867496665.db2.gz	HFCYQGAGJNCTFW-UHFFFAOYSA-N	1	0	357.502	1.995	20	30		FDEDRO
COCc1ccccc1CNC(=O)CON=C(N)C[NH+]1CCCCCC1	ZINC000151530554	867981740	/nfs/dbraw/zinc/98/17/40/867981740.db2.gz	ZBMLSWXGERVYOK-UHFFFAOYSA-N	1	0	362.474	1.614	20	30		FDEDRO
COc1cc(CNC(=O)N2CC[NH+](CC3CCOCC3)CC2)ccc1C#N	ZINC000462470778	867999080	/nfs/dbraw/zinc/99/90/80/867999080.db2.gz	DUQTUFCXQSLUFX-UHFFFAOYSA-N	1	0	372.469	1.821	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001061621375	882152705	/nfs/dbraw/zinc/15/27/05/882152705.db2.gz	UMXLAQKRGJOSAW-BPQIPLTHSA-N	1	0	363.502	1.439	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]CC(=O)Nc1ccc(F)cc1	ZINC001106101058	868087741	/nfs/dbraw/zinc/08/77/41/868087741.db2.gz	GKTLIZQJQVAALQ-GDBMZVCRSA-N	1	0	357.429	1.862	20	30		FDEDRO
C#CCCCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001061621817	882157765	/nfs/dbraw/zinc/15/77/65/882157765.db2.gz	GGWWKTNHGPQCMU-FGTMMUONSA-N	1	0	363.502	1.254	20	30		FDEDRO
Cc1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)c1	ZINC001106105963	868163686	/nfs/dbraw/zinc/16/36/86/868163686.db2.gz	BBXGNMLJBCVYJG-MISYRCLQSA-N	1	0	370.493	1.832	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]CC(=O)N(C)Cc1ccco1	ZINC001106106101	868166935	/nfs/dbraw/zinc/16/69/35/868166935.db2.gz	IIMDDMKCJZXWMR-NVXWUHKLSA-N	1	0	357.454	1.336	20	30		FDEDRO
N#Cc1cc(C[N@@H+]2CC[C@]3(NC(=O)[C@H]4C[C@H]4C(N)=O)CCC[C@@H]23)ccc1F	ZINC000992177227	868172577	/nfs/dbraw/zinc/17/25/77/868172577.db2.gz	JJSPJNCOBSUQHI-DOHHPOSVSA-N	1	0	370.428	1.432	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]C[C@@H](O)COCc1ccccc1	ZINC001106106316	868175609	/nfs/dbraw/zinc/17/56/09/868175609.db2.gz	RJIHRGMOHGJNKP-DUXKGJEZSA-N	1	0	370.493	1.662	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]CC(=O)N(C)CC(F)(F)F	ZINC001106106406	868181308	/nfs/dbraw/zinc/18/13/08/868181308.db2.gz	WFTWZHFNXUVABB-TZMCWYRMSA-N	1	0	359.392	1.105	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(Cc3ncnn3C)C[C@H]2CC1	ZINC000946786865	882172373	/nfs/dbraw/zinc/17/23/73/882172373.db2.gz	SSPCESXDXASBTJ-TWMKSMIVSA-N	1	0	359.474	1.077	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)c(C#N)c2)[C@H](C)C1	ZINC001106111091	868381264	/nfs/dbraw/zinc/38/12/64/868381264.db2.gz	HCSFPKOTGGFAAX-JTDSTZFVSA-N	1	0	369.465	1.789	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nccn2C(F)F)[C@H](C)C1	ZINC001106111275	868388395	/nfs/dbraw/zinc/38/83/95/868388395.db2.gz	KUQNAIQPZHMAKU-HZSPNIEDSA-N	1	0	354.401	1.501	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2nccn2C(F)F)[C@H](C)C1	ZINC001106115022	868514168	/nfs/dbraw/zinc/51/41/68/868514168.db2.gz	MAPDXOCRKAMPFP-ZIAGYGMSSA-N	1	0	354.401	1.502	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+][C@H](C)c2nc(COC)no2)[C@H](C)C1	ZINC001106115132	868514453	/nfs/dbraw/zinc/51/44/53/868514453.db2.gz	PSSODGYCHHHIHI-RBSFLKMASA-N	1	0	364.446	1.001	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)c(C#N)c2)[C@H](C)C1	ZINC001106115451	868523369	/nfs/dbraw/zinc/52/33/69/868523369.db2.gz	WYKDTUOYWFUEIA-VQIMIIECSA-N	1	0	369.465	1.791	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1[N@H+](CCc1cnn(C)c1)CC2	ZINC000992238506	868541131	/nfs/dbraw/zinc/54/11/31/868541131.db2.gz	DYBRIAVADROIGW-DOADOZAASA-N	1	0	358.486	1.667	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cc3n(n2)CCCC3)[C@H](C)C1	ZINC001106117085	868579939	/nfs/dbraw/zinc/57/99/39/868579939.db2.gz	ZDWDASBVSSSMLH-IXDOHACOSA-N	1	0	358.486	1.442	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(CC)cc2)C[C@@H]1O	ZINC001083853182	882272733	/nfs/dbraw/zinc/27/27/33/882272733.db2.gz	GPFKSZSMDFMANT-YRPNKDGESA-N	1	0	358.482	1.892	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC(O)(C[NH+](C)C)CC1	ZINC000913680965	869372023	/nfs/dbraw/zinc/37/20/23/869372023.db2.gz	KMBWODWWFPSZGQ-SFHVURJKSA-N	1	0	359.470	1.877	20	30		FDEDRO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(O)(C[NH+](C)C)CC1	ZINC000913680964	869372284	/nfs/dbraw/zinc/37/22/84/869372284.db2.gz	KMBWODWWFPSZGQ-GOSISDBHSA-N	1	0	359.470	1.877	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)CC[C@@H]2C1	ZINC000946819176	882360787	/nfs/dbraw/zinc/36/07/87/882360787.db2.gz	VSHQCWPEARQOGT-IYWMVGAKSA-N	1	0	370.497	1.482	20	30		FDEDRO
C[NH+]1CCN(Cc2ccc(CNS(=O)(=O)CC(C)(C)C#N)cc2)CC1	ZINC000913925259	870011553	/nfs/dbraw/zinc/01/15/53/870011553.db2.gz	SFKSZMASWIIXLD-UHFFFAOYSA-N	1	0	364.515	1.403	20	30		FDEDRO
N#Cc1cc(CS(=O)(=O)N2CCC(CN3CCOCC3)CC2)cs1	ZINC000913930188	870042067	/nfs/dbraw/zinc/04/20/67/870042067.db2.gz	CCTNSPGTTVWGKS-UHFFFAOYSA-N	1	0	369.512	1.494	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN2C(=O)CC(C)(C)C2=O)C[C@H]1C	ZINC001106133889	870151541	/nfs/dbraw/zinc/15/15/41/870151541.db2.gz	PRDWBLYGVXYYRW-OWCLPIDISA-N	1	0	363.502	1.810	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000914058729	870508781	/nfs/dbraw/zinc/50/87/81/870508781.db2.gz	GAUQSSYWBNIWCK-LJQANCHMSA-N	1	0	358.486	1.008	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)Cc1c(C)cc(C#N)cc1C	ZINC000914056693	870524741	/nfs/dbraw/zinc/52/47/41/870524741.db2.gz	PKKICQZOTOOQIW-KRWDZBQOSA-N	1	0	365.499	1.705	20	30		FDEDRO
C[C@H](O)C[N@H+](C)C1CCN(S(=O)(=O)Cc2csc(C#N)c2)CC1	ZINC000914071817	870578733	/nfs/dbraw/zinc/57/87/33/870578733.db2.gz	BNSSUXJUGRFDOZ-LBPRGKRZSA-N	1	0	357.501	1.227	20	30		FDEDRO
C#CC[C@@H](CO)NC(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1	ZINC000914114021	870854076	/nfs/dbraw/zinc/85/40/76/870854076.db2.gz	MQAAYUGUTBBNJY-IBGZPJMESA-N	1	0	372.513	1.581	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1)C(C)C	ZINC000914127224	870948229	/nfs/dbraw/zinc/94/82/29/870948229.db2.gz	AJUAVKMLNOOIEK-TVFCKZIOSA-N	1	0	351.491	1.788	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(OC)ns2)C[C@H]1C	ZINC001106148422	871386843	/nfs/dbraw/zinc/38/68/43/871386843.db2.gz	OOMTVKNUIYNDQS-JHJVBQTASA-N	1	0	366.487	1.140	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2sccc2Cl)C[C@H]1C	ZINC001106160977	871504779	/nfs/dbraw/zinc/50/47/79/871504779.db2.gz	MDRQIJIOGBHVDP-JHJVBQTASA-N	1	0	367.902	1.837	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2c(OC)cc(OC)cc2OC)CC1	ZINC000914255949	872043185	/nfs/dbraw/zinc/04/31/85/872043185.db2.gz	BYXSPVLQPBZFPW-UHFFFAOYSA-N	1	0	361.442	1.609	20	30		FDEDRO
C#CCN(C(=O)NCC1CCN(CC(F)(F)F)CC1)C1CC[NH+](C)CC1	ZINC000922103049	872056716	/nfs/dbraw/zinc/05/67/16/872056716.db2.gz	SUCQQLYDVDGCJO-UHFFFAOYSA-N	1	0	374.451	2.000	20	30		FDEDRO
C=C(Br)CN1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](OC)C1	ZINC001212486920	872141191	/nfs/dbraw/zinc/14/11/91/872141191.db2.gz	JGSTVKAVIGXIAR-CHWSQXEVSA-N	1	0	362.312	1.441	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2C)cc1	ZINC000994405367	882616805	/nfs/dbraw/zinc/61/68/05/882616805.db2.gz	NTDJNBXEMDXJEO-AHRSYUTCSA-N	1	0	367.493	1.977	20	30		FDEDRO
C=CCn1cccc1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2	ZINC001003155569	872678536	/nfs/dbraw/zinc/67/85/36/872678536.db2.gz	RYCLHZZLIBMLFD-ZKXLYKBJSA-N	1	0	370.497	1.876	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H](C1CC1)[NH+](C)C	ZINC001067638440	882640821	/nfs/dbraw/zinc/64/08/21/882640821.db2.gz	SKQOIHHYWANIPU-IKGGRYGDSA-N	1	0	351.491	1.225	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccns2)C3)CC1	ZINC001003249098	872910732	/nfs/dbraw/zinc/91/07/32/872910732.db2.gz	KZIPZCZTDUAUMR-OAGGEKHMSA-N	1	0	372.494	1.350	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H](C)CS(C)(=O)=O)[C@H](C)C1	ZINC001106181789	873021421	/nfs/dbraw/zinc/02/14/21/873021421.db2.gz	WQOJXFJBJROJBD-BZUAXINKSA-N	1	0	358.548	1.954	20	30		FDEDRO
N#Cc1sc(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)nc1Cl	ZINC000888425949	873076547	/nfs/dbraw/zinc/07/65/47/873076547.db2.gz	FVNLARCIWNDOKO-JTQLQIEISA-N	1	0	355.851	1.731	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCN1C(=O)C1CC1)C2	ZINC001112541957	873081963	/nfs/dbraw/zinc/08/19/63/873081963.db2.gz	XUHLIKXXZSZZSL-WFXMLNOXSA-N	1	0	357.498	1.629	20	30		FDEDRO
CC(C)(C(=O)N1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C)C1)[NH+]1CCCCC1	ZINC000992935644	873283035	/nfs/dbraw/zinc/28/30/35/873283035.db2.gz	CZNLTCDHRRYTGH-GCJKJVERSA-N	1	0	371.525	1.971	20	30		FDEDRO
C[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000272190629	873488779	/nfs/dbraw/zinc/48/87/79/873488779.db2.gz	FHHFWNNPZHSYLO-HOCLYGCPSA-N	1	0	367.453	1.278	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC[N@@H+]1C	ZINC000922184993	873563000	/nfs/dbraw/zinc/56/30/00/873563000.db2.gz	VLEAWVXBLKGNFG-COXVUDFISA-N	1	0	355.442	1.051	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCC[N@H+]1C	ZINC001003503036	873590795	/nfs/dbraw/zinc/59/07/95/873590795.db2.gz	IEKCNWCBVGVYFW-XLMAVXFVSA-N	1	0	356.470	1.630	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)C4(CC)CC4)C[C@@]3(C)C2)CC1	ZINC000993019824	873710037	/nfs/dbraw/zinc/71/00/37/873710037.db2.gz	NBEZOLYCGJVYIP-GHTZIAJQSA-N	1	0	371.525	1.829	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(C(=O)C#CC4CC4)C[C@@]3(C)C2)C1	ZINC000993029032	873761565	/nfs/dbraw/zinc/76/15/65/873761565.db2.gz	QECQDQPMOBGOCH-KNKQGSTJSA-N	1	0	371.525	1.685	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2scnc2CC)C[C@H]1C	ZINC001106220162	873952893	/nfs/dbraw/zinc/95/28/93/873952893.db2.gz	KJYJBZCSHXWEBF-CHWSQXEVSA-N	1	0	350.488	1.305	20	30		FDEDRO
N#Cc1cccc([C@@H]2CN(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CCO2)c1	ZINC000761683143	873970024	/nfs/dbraw/zinc/97/00/24/873970024.db2.gz	VPJWHHGMGFYXNZ-OTWHNJEPSA-N	1	0	370.453	1.504	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2[nH]ccc2C2CC2)C[C@H]1C	ZINC001106229244	874010568	/nfs/dbraw/zinc/01/05/68/874010568.db2.gz	MCUBBMFFJNVWHE-IIAWOOMASA-N	1	0	358.486	1.881	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCOCC2CCC2)[C@H](C)C1	ZINC001106266544	874261770	/nfs/dbraw/zinc/26/17/70/874261770.db2.gz	PRQVLYSTEACWEH-RLLQIKCJSA-N	1	0	361.530	1.585	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c(C)noc2C(C)C)C[C@H]1C	ZINC001106279805	874396797	/nfs/dbraw/zinc/39/67/97/874396797.db2.gz	DDDSCUYRLBIEGH-UKRRQHHQSA-N	1	0	362.474	1.706	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC2(F)F)C[C@H]1C	ZINC001106299521	874606590	/nfs/dbraw/zinc/60/65/90/874606590.db2.gz	KXIYZYZUWYAWEP-RBSFLKMASA-N	1	0	370.444	1.478	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2nc(C)sc2C)C[C@H]1C	ZINC001106305559	874666650	/nfs/dbraw/zinc/66/66/50/874666650.db2.gz	AQACDYSIJQTDEU-LALPHHSUSA-N	1	0	362.499	1.196	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cn(C)nc2COC)C[C@H]1C	ZINC001106336619	874814247	/nfs/dbraw/zinc/81/42/47/874814247.db2.gz	WXNZQOIXFPCRHU-HUUCEWRRSA-N	1	0	350.463	1.067	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cc(CN(C)C)on2)C[C@H]1C	ZINC001106353773	874879061	/nfs/dbraw/zinc/87/90/61/874879061.db2.gz	DRGNIMPEWRHHOX-HUUCEWRRSA-N	1	0	350.463	1.237	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cn2nnc(-c3ccco3)n2)C[C@H]1C	ZINC001106357642	874895770	/nfs/dbraw/zinc/89/57/70/874895770.db2.gz	HPFXBSPBAVBKIO-HUUCEWRRSA-N	1	0	358.446	1.583	20	30		FDEDRO
CC(C)CCC[N@@H+]1C[C@@H](NC(=O)CSCC#N)[C@@H](n2ccnn2)C1	ZINC001128723968	882878003	/nfs/dbraw/zinc/87/80/03/882878003.db2.gz	NRBPDGAGKFPFBP-CABCVRRESA-N	1	0	350.492	1.313	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(C(C)C)n2)C[C@H]1C	ZINC001106380593	874982784	/nfs/dbraw/zinc/98/27/84/874982784.db2.gz	HSSPRCZQCGXGMA-HZPDHXFCSA-N	1	0	358.486	1.805	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)c3cocc3C)[C@H](C)C2)CC1	ZINC000994463608	882882886	/nfs/dbraw/zinc/88/28/86/882882886.db2.gz	QMIBHWRPJVQFDZ-CRAIPNDOSA-N	1	0	371.481	1.758	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cn3ccc(C)cc3n2)C[C@H]1C	ZINC001106384394	875005052	/nfs/dbraw/zinc/00/50/52/875005052.db2.gz	ISWHALIWTQMNMO-HZPDHXFCSA-N	1	0	369.469	1.243	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)c2)C[C@H]1C	ZINC001106392470	875059420	/nfs/dbraw/zinc/05/94/20/875059420.db2.gz	RLEWJSRMZBBECQ-QZTJIDSGSA-N	1	0	366.465	1.820	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2(c3ccccc3)CCC2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106396880	875071675	/nfs/dbraw/zinc/07/16/75/875071675.db2.gz	YURACTCNYOSROS-IAGOWNOFSA-N	1	0	368.481	1.432	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1C	ZINC001106393981	875076683	/nfs/dbraw/zinc/07/66/83/875076683.db2.gz	FKBSDGMTQCSKEM-IXDOHACOSA-N	1	0	356.532	1.852	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(C)=O)C2)C[C@H]1C	ZINC001106394217	875077364	/nfs/dbraw/zinc/07/73/64/875077364.db2.gz	NNPLRGPBFPRYEQ-KBAYOESNSA-N	1	0	351.491	1.132	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2ccnc(OC)n2)C[C@H]1C	ZINC001106407781	875155875	/nfs/dbraw/zinc/15/58/75/875155875.db2.gz	HCJMVAUDOYRSMA-ZYHUDNBSSA-N	1	0	369.263	1.692	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ncc(Cl)s2)C[C@H]1C	ZINC001106421016	875209396	/nfs/dbraw/zinc/20/93/96/875209396.db2.gz	UTJDYZLKYSSZSF-GRYCIOLGSA-N	1	0	368.890	1.232	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nc3c(s2)CCC3)C[C@H]1C	ZINC001106425939	875250554	/nfs/dbraw/zinc/25/05/54/875250554.db2.gz	QHGDJCZXGZUMBX-CHWSQXEVSA-N	1	0	362.499	1.232	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnc3cnccc3c2)C[C@H]1C	ZINC001106433958	875297717	/nfs/dbraw/zinc/29/77/17/875297717.db2.gz	WNTCJOAIIUYKQL-CRAIPNDOSA-N	1	0	352.438	1.577	20	30		FDEDRO
O=S(=O)(NC1CCCC1)c1ccc(N=NC2C[NH+]3CCC2CC3)nc1	ZINC000915050271	875333802	/nfs/dbraw/zinc/33/38/02/875333802.db2.gz	JHJCTBIKDNBOOQ-UHFFFAOYSA-N	1	0	363.487	1.796	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ocnc2C(F)(F)F)C[C@H]1C	ZINC001106473517	875537407	/nfs/dbraw/zinc/53/74/07/875537407.db2.gz	PRRQUUVIANGHAU-VXGBXAGGSA-N	1	0	359.348	1.641	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC2)[C@H](C)C1	ZINC001106482272	875620519	/nfs/dbraw/zinc/62/05/19/875620519.db2.gz	GEIBAVKHECLBRD-GPMSIDNRSA-N	1	0	351.491	1.132	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc3ccccc3nn2)C[C@H]1C	ZINC001106507105	875758607	/nfs/dbraw/zinc/75/86/07/875758607.db2.gz	YMJFQRRAWLHNNE-NVXWUHKLSA-N	1	0	352.438	1.577	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)[C@H](C)C2)cc1	ZINC001106511637	875788980	/nfs/dbraw/zinc/78/89/80/875788980.db2.gz	OWWLGIAPGWKYKS-CRAIPNDOSA-N	1	0	355.482	1.880	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NC)[C@H](C)C1	ZINC001106518180	875815876	/nfs/dbraw/zinc/81/58/76/875815876.db2.gz	HPXCWSRIGYJOFU-MGPQQGTHSA-N	1	0	352.479	1.117	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CCC)OC)C[C@H]1C	ZINC001106521274	875839108	/nfs/dbraw/zinc/83/91/08/875839108.db2.gz	MLKBCHRPOJXYBP-KURKYZTESA-N	1	0	365.518	1.686	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCOC)[C@H](C)C1	ZINC001106533695	875885064	/nfs/dbraw/zinc/88/50/64/875885064.db2.gz	HEKSYLUKLNWSQT-QZTJIDSGSA-N	1	0	365.518	1.407	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NC)[C@H](C)C1	ZINC001106533783	875886709	/nfs/dbraw/zinc/88/67/09/875886709.db2.gz	KOIAYRKFBCWBGU-BZUAXINKSA-N	1	0	364.490	1.098	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](C[NH2+]CCNC(=O)NC(C)C)[C@H](C)C1	ZINC001106567669	875976957	/nfs/dbraw/zinc/97/69/57/875976957.db2.gz	OYEDESGWTJXJRL-IXDOHACOSA-N	1	0	352.523	1.980	20	30		FDEDRO
N#Cc1ccc(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H]3CCOC3)C2)[nH]1	ZINC001099237569	876059970	/nfs/dbraw/zinc/05/99/70/876059970.db2.gz	BPTYVLBENURDMQ-MPKXVKKWSA-N	1	0	356.348	1.515	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nccc3ccccc32)C[C@H]1C	ZINC001106592897	876068379	/nfs/dbraw/zinc/06/83/79/876068379.db2.gz	XZFIYFGQULERRT-NVXWUHKLSA-N	1	0	366.465	1.835	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(F)c(F)c2F)C[C@H]1C	ZINC001106596381	876095251	/nfs/dbraw/zinc/09/52/51/876095251.db2.gz	VBTGGGMCVAIDPV-VXGBXAGGSA-N	1	0	369.387	1.704	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COC2CCOCC2)[C@H](C)C1	ZINC001106612807	876174733	/nfs/dbraw/zinc/17/47/33/876174733.db2.gz	OEMUQBQXRFNSPW-KZNAEPCWSA-N	1	0	368.518	1.583	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCO[C@@H](C)C2)[C@H](C)C1	ZINC001106612159	876197453	/nfs/dbraw/zinc/19/74/53/876197453.db2.gz	NOQJUMBXQRVAIQ-IXDOHACOSA-N	1	0	351.491	1.274	20	30		FDEDRO
Cc1cc(C)c(CC(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)c(C)c1	ZINC001106616804	876227897	/nfs/dbraw/zinc/22/78/97/876227897.db2.gz	ABAYYZUBZYFJLO-QZTJIDSGSA-N	1	0	370.497	1.478	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](C[NH2+]CCNC(=O)NC(C)C)[C@H](C)C1	ZINC001106628755	876273835	/nfs/dbraw/zinc/27/38/35/876273835.db2.gz	UENOMGBZDSXXGV-MDZRGWNJSA-N	1	0	352.523	1.980	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCCOCC)[C@H](C)C2)CC1	ZINC001106631247	876293897	/nfs/dbraw/zinc/29/38/97/876293897.db2.gz	RDWJUVRLTXCONI-SJLPKXTDSA-N	1	0	365.518	1.570	20	30		FDEDRO
COC[C@@H](OC)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)c(C#N)c2)[C@H](C)C1	ZINC001106644413	876351754	/nfs/dbraw/zinc/35/17/54/876351754.db2.gz	UAVMXWGJVSGHBU-MZMPZRCHSA-N	1	0	363.433	1.543	20	30		FDEDRO
COC[C@@H](OC)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)[C@H](C)C1	ZINC001106644654	876353391	/nfs/dbraw/zinc/35/33/91/876353391.db2.gz	YLTFWEXSSJNSBR-MZMPZRCHSA-N	1	0	363.433	1.543	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]CC3(CS(C)(=O)=O)CC3)[C@H](C)C2)C1	ZINC001106647324	876381722	/nfs/dbraw/zinc/38/17/22/876381722.db2.gz	LUEJDZFRCKCYKM-HZPDHXFCSA-N	1	0	368.543	1.852	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]CC(=O)Nc3cc(C)on3)[C@H](C)C2)C1	ZINC001106647173	876382261	/nfs/dbraw/zinc/38/22/61/876382261.db2.gz	KPXFBAUTXVJCIA-UKRRQHHQSA-N	1	0	360.458	1.962	20	30		FDEDRO
CC(C)C[C@H](NS(=O)(=O)CC(C)(C)C#N)C(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000917118062	883039599	/nfs/dbraw/zinc/03/95/99/883039599.db2.gz	ZUYDIYRGSULBBH-CABCVRRESA-N	1	0	372.535	1.033	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1C	ZINC001106673816	876505061	/nfs/dbraw/zinc/50/50/61/876505061.db2.gz	MTYDZFNZTFLSBH-MGPQQGTHSA-N	1	0	355.429	1.244	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1C	ZINC001106672375	876515028	/nfs/dbraw/zinc/51/50/28/876515028.db2.gz	RXZAXCNVCSGKCR-DGCLKSJQSA-N	1	0	370.295	1.340	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(F)cc(Cl)c2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106694315	876577368	/nfs/dbraw/zinc/57/73/68/876577368.db2.gz	DISAAHSZLZNAAK-DGCLKSJQSA-N	1	0	366.824	1.417	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)CCO3)C[C@H]1C	ZINC001106690301	876583625	/nfs/dbraw/zinc/58/36/25/876583625.db2.gz	XRCJIGPHKPXRBK-RVKKMQEKSA-N	1	0	369.465	1.057	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](NC(=O)COC)C(C)C)C2	ZINC001112542715	883076534	/nfs/dbraw/zinc/07/65/34/883076534.db2.gz	MYPVFJFZSVEHJY-QRFRQXIXSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc3ccccn3c2)C[C@H]1C	ZINC001106723919	876971186	/nfs/dbraw/zinc/97/11/86/876971186.db2.gz	UGNAMPSNPQNMEL-JFIYKMOQSA-N	1	0	368.481	1.928	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)COCC2CC2)[C@@H](n2ccnn2)C1	ZINC001128741244	883093350	/nfs/dbraw/zinc/09/33/50/883093350.db2.gz	PXXCJIUPKWTDMW-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1	ZINC001003795909	877237638	/nfs/dbraw/zinc/23/76/38/877237638.db2.gz	ISEVEKJWYZXAMP-OWLYRPNTSA-N	1	0	363.502	1.273	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2cncc(OC)n2)C[C@H]1C	ZINC001106733169	877255816	/nfs/dbraw/zinc/25/58/16/877255816.db2.gz	KTEQPULSLNHCBT-ZYHUDNBSSA-N	1	0	369.263	1.692	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)o2)[C@H](C)C1	ZINC001106733454	877271455	/nfs/dbraw/zinc/27/14/55/877271455.db2.gz	WEBOGIQLDLSSLS-WQVCFCJDSA-N	1	0	363.462	1.033	20	30		FDEDRO
CCCCC[C@H](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106734209	877281985	/nfs/dbraw/zinc/28/19/85/877281985.db2.gz	RRIMIWVXJHMFMO-GVDBMIGSSA-N	1	0	350.507	1.917	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2cnoc2C)[C@H](C)C1	ZINC001106734428	877283121	/nfs/dbraw/zinc/28/31/21/877283121.db2.gz	ZQFXVCMWJLNJTA-XWIAVFTESA-N	1	0	362.474	1.638	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]CCn2cccn2)[C@H](C)C1	ZINC001106734047	877287769	/nfs/dbraw/zinc/28/77/69/877287769.db2.gz	NEMWMCVBLJQUPB-KBAYOESNSA-N	1	0	361.490	1.038	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21	ZINC000272399720	877293152	/nfs/dbraw/zinc/29/31/52/877293152.db2.gz	ZFCDANTXLQWSEF-HOCLYGCPSA-N	1	0	356.426	1.448	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cnc3nccnc3c2)[C@H](OC)C1	ZINC001212416323	912228142	/nfs/dbraw/zinc/22/81/42/912228142.db2.gz	ISQFZKPUMWTSFH-KBRIMQKVSA-N	1	0	355.442	1.809	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc3cccnn32)C[C@H]1C	ZINC001106740263	877404288	/nfs/dbraw/zinc/40/42/88/877404288.db2.gz	HGEIBIGDRGDEPZ-BZUAXINKSA-N	1	0	369.469	1.323	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2c2ncccn2)C[C@H]1C(F)(F)F	ZINC001099262978	877491972	/nfs/dbraw/zinc/49/19/72/877491972.db2.gz	MHEMHSMUMMRCGL-MGPQQGTHSA-N	1	0	369.391	1.610	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]CCCCCOC)[C@H](C)C2)nn1	ZINC001106750284	877509182	/nfs/dbraw/zinc/50/91/82/877509182.db2.gz	XAWNUFZBLLPZQM-IAGOWNOFSA-N	1	0	363.506	1.969	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CC2)[C@H](C)C1	ZINC001106752789	877524042	/nfs/dbraw/zinc/52/40/42/877524042.db2.gz	LPEGPADRPCLXRF-NWGLXNPWSA-N	1	0	363.502	1.178	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccnc(OC)n2)C1	ZINC000999195086	912254661	/nfs/dbraw/zinc/25/46/61/912254661.db2.gz	PYZHIONORJMNHF-ZACQAIPSSA-N	1	0	360.458	1.547	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)C[C@H](C)O3)C[C@H]1C	ZINC001106765374	877634580	/nfs/dbraw/zinc/63/45/80/877634580.db2.gz	YYPFCTCAIXUNMW-JTDSTZFVSA-N	1	0	356.466	1.958	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cc(C(F)(F)F)n[nH]2)C[C@H]1C	ZINC001106762929	877643375	/nfs/dbraw/zinc/64/33/75/877643375.db2.gz	SWUCGDGBEVTQGW-VXGBXAGGSA-N	1	0	360.380	1.929	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)c2cc(C)oc2C)C[C@H]1C	ZINC001106766373	877667369	/nfs/dbraw/zinc/66/73/69/877667369.db2.gz	GVXTXDFTDUBBKA-UKPHBRMFSA-N	1	0	359.470	1.433	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnc(C)nc2C)C[C@H]1C	ZINC001106776697	877743267	/nfs/dbraw/zinc/74/32/67/877743267.db2.gz	BXNWWTIUUPSQQJ-XNRPHZJLSA-N	1	0	359.474	1.082	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CNC(=O)C2CCOCC2)C[C@H]1C	ZINC001106778344	877786921	/nfs/dbraw/zinc/78/69/21/877786921.db2.gz	HJAKTDRMGXYOMR-JFIYKMOQSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3ccccc3O2)C[C@H]1C	ZINC001106779321	877790604	/nfs/dbraw/zinc/79/06/04/877790604.db2.gz	JCHSUNKIKIMKEK-SUMDDJOVSA-N	1	0	371.481	1.367	20	30		FDEDRO
C[C@@H](CC[NH+](C)C)NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000272533481	877816177	/nfs/dbraw/zinc/81/61/77/877816177.db2.gz	KIOJVRXDCPXGKE-YOEHRIQHSA-N	1	0	357.458	1.693	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc3nc[nH]c32)C[C@H]1C	ZINC001106790732	877935660	/nfs/dbraw/zinc/93/56/60/877935660.db2.gz	ONTBXZPKOIKHTE-QLFBSQMISA-N	1	0	369.469	1.551	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnn(CC)c2C)C[C@H]1C	ZINC001106795286	877968189	/nfs/dbraw/zinc/96/81/89/877968189.db2.gz	WOUABCWCSCFXEW-IIAWOOMASA-N	1	0	361.490	1.200	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cnn(CC(C)C)c2)C[C@H]1C	ZINC001106802902	878048585	/nfs/dbraw/zinc/04/85/85/878048585.db2.gz	PQPMWUROBCUSNQ-HZPDHXFCSA-N	1	0	361.490	1.139	20	30		FDEDRO
CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCC(C)(C)C#N)c1	ZINC000499814064	878059705	/nfs/dbraw/zinc/05/97/05/878059705.db2.gz	QTBVXJLQVPOFIB-UHFFFAOYSA-N	1	0	373.457	1.571	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nc(C3CC3)oc2C)C[C@H]1C	ZINC001106816582	878247208	/nfs/dbraw/zinc/24/72/08/878247208.db2.gz	AWUTVLDKZUWDCM-IUODEOHRSA-N	1	0	360.458	1.460	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4C[C@H]4CC)C[C@]3(C)C2)CC1	ZINC000993476558	878308694	/nfs/dbraw/zinc/30/86/94/878308694.db2.gz	MIONRZBTCYZWIK-KIQACKJLSA-N	1	0	371.525	1.685	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)COCc2nncn2C)C[C@H]1C	ZINC001106824518	878429695	/nfs/dbraw/zinc/42/96/95/878429695.db2.gz	AZBXOYLQHYAXTO-IAGOWNOFSA-N	1	0	363.506	1.762	20	30		FDEDRO
CO[C@@]1(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CCS(=O)(=O)C1	ZINC000922619689	878834113	/nfs/dbraw/zinc/83/41/13/878834113.db2.gz	TXXBPTLBISIFKP-GOSISDBHSA-N	1	0	374.466	1.252	20	30		FDEDRO
N#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CCC[NH+]2CCC4)C3)[nH]1	ZINC001004286188	878953227	/nfs/dbraw/zinc/95/32/27/878953227.db2.gz	VQVPXPBBLABZKO-OIISXLGYSA-N	1	0	367.453	1.376	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1	ZINC000921680100	912408085	/nfs/dbraw/zinc/40/80/85/912408085.db2.gz	JLJRWVDWFMSLPQ-SFHVURJKSA-N	1	0	368.481	1.432	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)NC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1	ZINC000922724633	879084798	/nfs/dbraw/zinc/08/47/98/879084798.db2.gz	FHPDXVMWVZSFHD-LJQANCHMSA-N	1	0	372.469	1.293	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(F)c4ccncc34)[C@H]2C1	ZINC001083171839	912455024	/nfs/dbraw/zinc/45/50/24/912455024.db2.gz	XXPKXRYLVPPDKN-RBUKOAKNSA-N	1	0	353.397	1.922	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1	ZINC001004534924	879809853	/nfs/dbraw/zinc/80/98/53/879809853.db2.gz	CAQBTPAWMPFEAC-KURKYZTESA-N	1	0	363.502	1.130	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C)cc3)C[C@@H]2O)cc1	ZINC001083842511	879893892	/nfs/dbraw/zinc/89/38/92/879893892.db2.gz	PTSVSHZPOIVLIJ-RTWAWAEBSA-N	1	0	364.445	1.982	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CN(Cc3cc(C)sc3C)C[C@@H]2O)nn1	ZINC001083843538	879960747	/nfs/dbraw/zinc/96/07/47/879960747.db2.gz	MGHVMAHQYRZYHN-ZBFHGGJFSA-N	1	0	361.471	1.118	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCC3(F)F)C[C@@H]2O)nn1	ZINC001083843668	879961552	/nfs/dbraw/zinc/96/15/52/879961552.db2.gz	SRSMGDGHXFSUDC-NFAWXSAZSA-N	1	0	369.416	1.065	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC000993908266	880114496	/nfs/dbraw/zinc/11/44/96/880114496.db2.gz	NXKQQLOBOIAMNF-ZIAGYGMSSA-N	1	0	357.458	1.195	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC000993919130	880149832	/nfs/dbraw/zinc/14/98/32/880149832.db2.gz	RLJXTOLRNLJEJK-NVXWUHKLSA-N	1	0	371.485	1.587	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1	ZINC000993962013	880181057	/nfs/dbraw/zinc/18/10/57/880181057.db2.gz	VULIKFGFCYMDNH-SQNIBIBYSA-N	1	0	361.486	1.312	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCN(CC(F)(F)F)C3)[C@H]2C1	ZINC001083176443	912541232	/nfs/dbraw/zinc/54/12/32/912541232.db2.gz	UCFSNGGPCMBLNE-QLFBSQMISA-N	1	0	361.408	1.358	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc3nc(C)[nH]c32)C[C@H]1C	ZINC001106838572	880358700	/nfs/dbraw/zinc/35/87/00/880358700.db2.gz	ZNNXWCFREQBRGY-GDBMZVCRSA-N	1	0	354.454	1.819	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H](C)C2)C1	ZINC000994051107	880549091	/nfs/dbraw/zinc/54/90/91/880549091.db2.gz	JEKYSDNSTXRMHD-KBAYOESNSA-N	1	0	359.514	1.895	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)[C@@H]3C[C@H]3C3CC3)[C@H](C)C2)CC1	ZINC000994073802	880605837	/nfs/dbraw/zinc/60/58/37/880605837.db2.gz	TXFWTBCURGDGAH-GEALJGNFSA-N	1	0	371.525	1.588	20	30		FDEDRO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@H](N2CCOCC2)C1	ZINC000173987299	912593740	/nfs/dbraw/zinc/59/37/40/912593740.db2.gz	DHOJVEDZYCMKPU-KBPBESRZSA-N	1	0	374.510	1.842	20	30		FDEDRO
C=C1CCC(C(=O)N2CCO[C@@H]3C[N@H+](C[C@@H]4CCc5ncnn54)C[C@@H]32)CC1	ZINC001083184226	912623232	/nfs/dbraw/zinc/62/32/32/912623232.db2.gz	ZQBWKDVIOCFJLH-OKZBNKHCSA-N	1	0	371.485	1.423	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2ccoc2C)C[C@H]1C	ZINC000994195551	880989297	/nfs/dbraw/zinc/98/92/97/880989297.db2.gz	YYDHNHKRXGEKNN-KYJSFNMBSA-N	1	0	357.454	1.510	20	30		FDEDRO
COCCCOCC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1	ZINC001106851223	881080060	/nfs/dbraw/zinc/08/00/60/881080060.db2.gz	KWIFEUKJQBGHFV-VQIMIIECSA-N	1	0	359.470	1.795	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@H+]2CCC[C@@H]2C)cn1	ZINC001004743720	881195238	/nfs/dbraw/zinc/19/52/38/881195238.db2.gz	XKHXYDFTIOMRPA-PIKADFDJSA-N	1	0	366.465	1.409	20	30		FDEDRO
CC(C)Cc1ccc([C@H](CNC(=O)Cn2cnc(C#N)n2)[NH+](C)C)cc1	ZINC000490492862	881230244	/nfs/dbraw/zinc/23/02/44/881230244.db2.gz	OPXSNEMWYQGUSX-KRWDZBQOSA-N	1	0	354.458	1.767	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC(C)(C)Cc1ccc(C#N)cc1	ZINC000917223671	883225292	/nfs/dbraw/zinc/22/52/92/883225292.db2.gz	LVYPECSBJZYIBL-MRXNPFEDSA-N	1	0	357.502	1.814	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCCO)C2)cc1	ZINC001112542916	883229844	/nfs/dbraw/zinc/22/98/44/883229844.db2.gz	YKXKDAJQBIWKIK-RXVVDRJESA-N	1	0	356.466	1.913	20	30		FDEDRO
C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2	ZINC000917245421	883270779	/nfs/dbraw/zinc/27/07/79/883270779.db2.gz	GVAHUCAVOKBANS-KRWDZBQOSA-N	1	0	356.488	1.079	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCCN2C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC001005442628	883398872	/nfs/dbraw/zinc/39/88/72/883398872.db2.gz	QNWBNWXQNFTMTH-DJIMGWMZSA-N	1	0	371.485	1.728	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCCN2C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC001005443283	883402186	/nfs/dbraw/zinc/40/21/86/883402186.db2.gz	UEVLMVKISDVPPZ-HYVNUMGLSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1	ZINC000917652969	883656529	/nfs/dbraw/zinc/65/65/29/883656529.db2.gz	FCUIWRJDBQLWFA-HZPDHXFCSA-N	1	0	363.483	1.508	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(CC)c2)C[C@@H]1n1ccnn1	ZINC001128824317	883742183	/nfs/dbraw/zinc/74/21/83/883742183.db2.gz	ASSQJXYXWWMUPQ-MOPGFXCFSA-N	1	0	369.469	1.585	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](CC/C=C\c2ccccc2)C[C@@H]1n1ccnn1	ZINC001128829745	883753923	/nfs/dbraw/zinc/75/39/23/883753923.db2.gz	JDPPDRNZRPXJAQ-XJMUNSAGSA-N	1	0	364.453	1.883	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ncc(Cl)n2C)C1	ZINC000999427115	912750360	/nfs/dbraw/zinc/75/03/60/912750360.db2.gz	GDNHDEJJGRDQBU-PQAZSJQKSA-N	1	0	352.866	1.744	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](CCCCOC)C[C@@H]1n1ccnn1	ZINC001128870255	883904816	/nfs/dbraw/zinc/90/48/16/883904816.db2.gz	PXEDGULSORJGDI-SJORKVTESA-N	1	0	365.478	1.029	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cncc(F)c2)[C@@H](n2ccnn2)C1	ZINC001128877765	883914738	/nfs/dbraw/zinc/91/47/38/883914738.db2.gz	HJFRMTFLNZGQMR-XYPHTWIQSA-N	1	0	358.421	1.822	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2cncnc2)[C@@H](n2ccnn2)C1	ZINC001128903602	884024231	/nfs/dbraw/zinc/02/42/31/884024231.db2.gz	SUMFZUFDDZYEKY-SJORKVTESA-N	1	0	355.446	1.470	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2cnnc(C)c2)[C@@H](n2ccnn2)C1	ZINC001128929714	884147469	/nfs/dbraw/zinc/14/74/69/884147469.db2.gz	MLIOYLSHIGDLBE-MSOLQXFVSA-N	1	0	369.473	1.778	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@@H+](CC2CC(OCC)C2)C[C@@H]1n1ccnn1	ZINC001128939403	884180681	/nfs/dbraw/zinc/18/06/81/884180681.db2.gz	PERSHBODZUQXTL-HIEASXQVSA-N	1	0	359.474	1.238	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)c1	ZINC001034403884	884315934	/nfs/dbraw/zinc/31/59/34/884315934.db2.gz	DFBRHXYCWDMPFB-QYZOEREBSA-N	1	0	368.481	1.931	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]2C)c1	ZINC000994568707	884346947	/nfs/dbraw/zinc/34/69/47/884346947.db2.gz	ZYBXSCVXRUMVOS-OLMNPRSZSA-N	1	0	356.470	1.227	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C)c1	ZINC000994571357	884431131	/nfs/dbraw/zinc/43/11/31/884431131.db2.gz	VVAPFGFGZZSVGE-CRAIPNDOSA-N	1	0	368.481	1.372	20	30		FDEDRO
CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)C#CC(C)C)[C@@H](n2ccnn2)C1)C1CC1	ZINC001128976090	884545465	/nfs/dbraw/zinc/54/54/65/884545465.db2.gz	JEUDCLKUJRMXOH-FGTMMUONSA-N	1	0	359.474	1.094	20	30		FDEDRO
C=CCCOCC(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001078971804	884648030	/nfs/dbraw/zinc/64/80/30/884648030.db2.gz	HZFIDTZSXVSRLN-FGTMMUONSA-N	1	0	365.518	1.759	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1=O	ZINC001034692451	884817438	/nfs/dbraw/zinc/81/74/38/884817438.db2.gz	UAPFJASFROMPRL-YSDAECDYSA-N	1	0	373.497	1.214	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)CC2)ccc1F	ZINC001034735427	884928323	/nfs/dbraw/zinc/92/83/23/884928323.db2.gz	ILWFETMFUPRKAF-FPCVCCKLSA-N	1	0	358.417	1.336	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2[nH]cnc2C(C)(C)C)[C@@H](n2ccnn2)C1	ZINC001129004181	884992713	/nfs/dbraw/zinc/99/27/13/884992713.db2.gz	NJIRENRCYCHCIG-CABCVRRESA-N	1	0	371.489	1.920	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3c(C)cc(C)cc3C)C[C@@H]2O)nc1	ZINC001083964515	912893288	/nfs/dbraw/zinc/89/32/88/912893288.db2.gz	GRLSUJNIIGFOIS-RTWAWAEBSA-N	1	0	363.461	1.963	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](CCOC(C)C)C[C@@H]1n1ccnn1	ZINC001129014752	885128770	/nfs/dbraw/zinc/12/87/70/885128770.db2.gz	QCARESUBHPROQY-MSOLQXFVSA-N	1	0	361.490	1.813	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCc1ccc(C[NH2+][C@@H]2CCNC2=O)cc1	ZINC001034826691	885231890	/nfs/dbraw/zinc/23/18/90/885231890.db2.gz	UAPQEVRDMCWWSF-OTWHNJEPSA-N	1	0	371.481	1.652	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@H](OC)C3CCCC3)C[C@@H]2O)nc1	ZINC001083969793	912919338	/nfs/dbraw/zinc/91/93/38/912919338.db2.gz	UZSVHWVWRHFETO-QYZOEREBSA-N	1	0	357.454	1.043	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@@H]1n1ccnn1	ZINC001129029941	885345129	/nfs/dbraw/zinc/34/51/29/885345129.db2.gz	QIZLXWRPIXVVRQ-KSZLIROESA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)Cc2cc(C3CC3)no2)[C@@H](n2ccnn2)C1	ZINC001129038051	885446915	/nfs/dbraw/zinc/44/69/15/885446915.db2.gz	MJJBQWXUFYNNTI-MSOLQXFVSA-N	1	0	370.457	1.694	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](NC(=O)CCCC2CCOCC2)[C@@H](n2ccnn2)C1	ZINC001129038094	885448998	/nfs/dbraw/zinc/44/89/98/885448998.db2.gz	PSENEYHSAMJEER-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3nccn32)[C@@H](n2ccnn2)C1	ZINC001129043105	885515163	/nfs/dbraw/zinc/51/51/63/885515163.db2.gz	HLLLIEWKGDMTCX-ZACQAIPSSA-N	1	0	369.473	1.360	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@@H]2n2ccnn2)CCC1	ZINC001129048847	885535592	/nfs/dbraw/zinc/53/55/92/885535592.db2.gz	KMZVVLXZBCPQAZ-KSZLIROESA-N	1	0	371.485	1.240	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2c(C)ncn2C)[C@@H](n2ccnn2)C1	ZINC001129055154	885591221	/nfs/dbraw/zinc/59/12/21/885591221.db2.gz	VVMNGQVJAPXDKA-SJORKVTESA-N	1	0	371.489	1.722	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cc3cccn3cn2)[C@@H](n2ccnn2)C1	ZINC001129064954	885630000	/nfs/dbraw/zinc/63/00/00/885630000.db2.gz	OIPGYCKMJGBNBS-MSOLQXFVSA-N	1	0	365.441	1.547	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)C/C=C/c2ccc(F)cc2)[C@@H](n2ccnn2)C1	ZINC001129065320	885667189	/nfs/dbraw/zinc/66/71/89/885667189.db2.gz	VOAOVMQHZAFGHW-HKVCONOFSA-N	1	0	367.428	1.886	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cncc2C)[C@@H](n2ccnn2)C1	ZINC001129103561	885701320	/nfs/dbraw/zinc/70/13/20/885701320.db2.gz	MOUWZAVGYATRFA-UAGQMJEPSA-N	1	0	357.462	1.179	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)c2c(C)noc2C)[C@@H](n2ccnn2)C1	ZINC001129089585	885716102	/nfs/dbraw/zinc/71/61/02/885716102.db2.gz	LEDIFFKYZWQPNM-XKQJLSEDSA-N	1	0	370.457	1.442	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccnnc2C)[C@@H](n2ccnn2)C1	ZINC001129089574	885716398	/nfs/dbraw/zinc/71/63/98/885716398.db2.gz	KUIPZMWJXOIFFR-XYPHTWIQSA-N	1	0	355.446	1.387	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCc3cnn(C)c3)[C@H](C)C2)cn1	ZINC001106894684	885768852	/nfs/dbraw/zinc/76/88/52/885768852.db2.gz	SAPZAYZDWDGZKO-CRAIPNDOSA-N	1	0	351.454	1.337	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC[N@@H+](Cc3cncn3C)C2)CC1	ZINC001035230609	885818357	/nfs/dbraw/zinc/81/83/57/885818357.db2.gz	OPPXTHLBEODFNJ-MSOLQXFVSA-N	1	0	358.486	1.826	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)COCC(F)F)[C@@H](n2ccnn2)C1	ZINC001129128229	885826669	/nfs/dbraw/zinc/82/66/69/885826669.db2.gz	VLGRPHMLUXWUQH-CABCVRRESA-N	1	0	371.432	1.648	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2C)[C@@H](n2ccnn2)C1	ZINC001129139312	885840730	/nfs/dbraw/zinc/84/07/30/885840730.db2.gz	HKJOMPGDAUKTLN-SJORKVTESA-N	1	0	357.462	1.711	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC2(C)C)[C@@H](n2ccnn2)C1	ZINC001129159771	885892411	/nfs/dbraw/zinc/89/24/11/885892411.db2.gz	VNWQZTHJNUWZRP-ZACQAIPSSA-N	1	0	361.490	1.649	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC2(C)C)[C@@H](n2ccnn2)C1	ZINC001129159770	885893235	/nfs/dbraw/zinc/89/32/35/885893235.db2.gz	VNWQZTHJNUWZRP-BBWFWOEESA-N	1	0	361.490	1.649	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](n2ccnn2)C1	ZINC001129170686	885936673	/nfs/dbraw/zinc/93/66/73/885936673.db2.gz	ZDYMNFGUDPHNHC-WKULXVSPSA-N	1	0	361.490	1.482	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](n2ccnn2)C1	ZINC001129170728	885937190	/nfs/dbraw/zinc/93/71/90/885937190.db2.gz	ZVNOMORTQSKLAA-WKULXVSPSA-N	1	0	359.474	1.258	20	30		FDEDRO
C#CCCCCCC(=O)N[C@@H]1C[N@@H+](CCCCOC)C[C@@H]1n1ccnn1	ZINC001129179226	886018743	/nfs/dbraw/zinc/01/87/43/886018743.db2.gz	AHJBIDFGAAEYCJ-MSOLQXFVSA-N	1	0	361.490	1.630	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@@H]1n1ccnn1	ZINC001129189357	886119767	/nfs/dbraw/zinc/11/97/67/886119767.db2.gz	MJYUOTKUDAZXNG-KSZLIROESA-N	1	0	359.474	1.382	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2Cc3ccccc32)[C@@H](n2ccnn2)C1	ZINC001129205584	886418067	/nfs/dbraw/zinc/41/80/67/886418067.db2.gz	WYDVQKULIPQKGG-QRVBRYPASA-N	1	0	367.453	1.162	20	30		FDEDRO
C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)CC2	ZINC001035751869	886429112	/nfs/dbraw/zinc/42/91/12/886429112.db2.gz	PZDXANNOGGCTNK-SJORKVTESA-N	1	0	363.502	1.690	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CC3(C2)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC3)c1	ZINC001035797991	886460942	/nfs/dbraw/zinc/46/09/42/886460942.db2.gz	JVIZEUPZBYLIQZ-SJORKVTESA-N	1	0	352.438	1.104	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ccsc1C#N)C2	ZINC000920272949	886791553	/nfs/dbraw/zinc/79/15/53/886791553.db2.gz	ADAIJKXSIDDHNX-MPTQWLOMSA-N	1	0	369.512	1.378	20	30		FDEDRO
C[NH+]1CCC(NC(=S)N2CCN([C@H](C#N)c3ccccc3)CC2)CC1	ZINC000920307209	886852121	/nfs/dbraw/zinc/85/21/21/886852121.db2.gz	GNOXWTIZPQPFLA-GOSISDBHSA-N	1	0	357.527	1.838	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(CC[N@@H+](C)[C@@H]2CCNC2=O)CC1	ZINC001036603417	886904593	/nfs/dbraw/zinc/90/45/93/886904593.db2.gz	JTOFFXLMOWPKRM-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ncc(C#N)cc2F)CC[N@@H+]1C	ZINC001062044725	886928637	/nfs/dbraw/zinc/92/86/37/886928637.db2.gz	QFBHRSMLSJFJMM-DMRZNYOFSA-N	1	0	357.433	1.612	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)C[NH+](CC)CC	ZINC001062240165	886997885	/nfs/dbraw/zinc/99/78/85/886997885.db2.gz	KBZXCHBVSCNKGB-KURKYZTESA-N	1	0	365.518	1.807	20	30		FDEDRO
C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1	ZINC001127548216	887278311	/nfs/dbraw/zinc/27/83/11/887278311.db2.gz	ZGGHBUQZPMVZGS-UYAOXDASSA-N	1	0	362.477	1.911	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](C[C@H](O)Cc2ccccc2)C1	ZINC001031680301	887363362	/nfs/dbraw/zinc/36/33/62/887363362.db2.gz	ZYJCQQDILOHGKX-AQNXPRMDSA-N	1	0	358.482	1.619	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1	ZINC000921318458	887630931	/nfs/dbraw/zinc/63/09/31/887630931.db2.gz	XLTZPAKHPOPIJG-LJQANCHMSA-N	1	0	373.497	1.741	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3CC[N@@H+]4CCC[C@H]4C3)n2)c(F)c1	ZINC000371731917	887660108	/nfs/dbraw/zinc/66/01/08/887660108.db2.gz	GBTFNFMSTIXSTF-AWEZNQCLSA-N	1	0	354.389	2.195	20	30		FDEDRO
C#CCN(C(=O)NCCn1c2ccccc2[nH]c1=O)C1CC[NH+](C)CC1	ZINC000921355503	887777092	/nfs/dbraw/zinc/77/70/92/887777092.db2.gz	MQBKLUFDSDVIJV-UHFFFAOYSA-N	1	0	355.442	1.481	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1	ZINC001062667103	887926071	/nfs/dbraw/zinc/92/60/71/887926071.db2.gz	RBCNZDGMEUNCAJ-BZUAXINKSA-N	1	0	351.491	1.463	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2cc(C)ccc2F)C[C@H]1C	ZINC001106901543	888141119	/nfs/dbraw/zinc/14/11/19/888141119.db2.gz	LFKZXRMXNGYOKO-NVXWUHKLSA-N	1	0	359.445	1.110	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(C)c2)C[C@H]1OC	ZINC001212262586	888168920	/nfs/dbraw/zinc/16/89/20/888168920.db2.gz	TUHMBLDWOJLUTO-IEBWSBKVSA-N	1	0	360.454	1.359	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1	ZINC001006021159	888756685	/nfs/dbraw/zinc/75/66/85/888756685.db2.gz	ZFVNOCCCKRXPPZ-MOPGFXCFSA-N	1	0	371.481	1.799	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NC(=O)CNc2ccc(C#N)cn2)[C@@H](C)C1	ZINC000497881369	888940520	/nfs/dbraw/zinc/94/05/20/888940520.db2.gz	RGFPFQLKWMNRBY-DOTOQJQBSA-N	1	0	359.474	1.618	20	30		FDEDRO
C#Cc1cncc(C(=O)N(C)[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)c1	ZINC000938609190	888952073	/nfs/dbraw/zinc/95/20/73/888952073.db2.gz	LTBSXCVAYBXRQH-CEXWTWQISA-N	1	0	368.481	1.466	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1	ZINC000938680972	889084208	/nfs/dbraw/zinc/08/42/08/889084208.db2.gz	BDMWXFTVEIOHQF-ULQDDVLXSA-N	1	0	363.502	1.511	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CN(CCOc3ccc(C)cc3)C[C@@H]2O)c1	ZINC001083765672	889130453	/nfs/dbraw/zinc/13/04/53/889130453.db2.gz	PAUPASZHKBGGKQ-UXHICEINSA-N	1	0	365.433	1.225	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccn(C3CCOCC3)n2)[C@H](OC)C1	ZINC001212278964	889211062	/nfs/dbraw/zinc/21/10/62/889211062.db2.gz	AMONXNZPFGEKOL-QZTJIDSGSA-N	1	0	362.474	1.630	20	30		FDEDRO
COc1cccc([C@H]2C[NH2+]CCN2C[C@@H](O)COc2ccc(C#N)cc2)c1	ZINC000923421166	889223927	/nfs/dbraw/zinc/22/39/27/889223927.db2.gz	GBIBLDCAODTABM-WIYYLYMNSA-N	1	0	367.449	1.953	20	30		FDEDRO
C[C@@]1(O)CCC[N@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000245875820	889300678	/nfs/dbraw/zinc/30/06/78/889300678.db2.gz	KBTQBGZTDKBTIM-UYAOXDASSA-N	1	0	374.460	1.381	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CC[NH+](CCn2cncn2)CC1	ZINC001006107411	889445771	/nfs/dbraw/zinc/44/57/71/889445771.db2.gz	CWLYEXUSIOJTDH-ROUUACIJSA-N	1	0	361.490	1.572	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC000938910830	889545383	/nfs/dbraw/zinc/54/53/83/889545383.db2.gz	ANCIXFFCDJLRPW-ULQDDVLXSA-N	1	0	361.486	1.123	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)C1	ZINC000923555284	889771823	/nfs/dbraw/zinc/77/18/23/889771823.db2.gz	UHCGAOOWEQYGFJ-HZPDHXFCSA-N	1	0	366.506	1.045	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)N1CCCCCC1	ZINC001127612702	889901428	/nfs/dbraw/zinc/90/14/28/889901428.db2.gz	AMXGGHSPBYFFSK-ZACQAIPSSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1CN(C(=O)CCn2ccnc2)C1	ZINC001006167745	889948230	/nfs/dbraw/zinc/94/82/30/889948230.db2.gz	WYEKFLDRMJUNCH-ZVZYQTTQSA-N	1	0	360.458	1.218	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1CN(C(=O)C2([NH+](C)C)CCC2)C1	ZINC001006168353	889951725	/nfs/dbraw/zinc/95/17/25/889951725.db2.gz	ZKMNIIBANYAUPZ-PVAVHDDUSA-N	1	0	363.502	1.415	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CCc2ccccc2C)[C@@H](n2ccnn2)C1	ZINC001129289387	890071752	/nfs/dbraw/zinc/07/17/52/890071752.db2.gz	XXUDHHCRSHCVRL-MOPGFXCFSA-N	1	0	351.454	1.584	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnn(CCC)c2)[C@@H](n2ccnn2)C1	ZINC001129294286	890165886	/nfs/dbraw/zinc/16/58/86/890165886.db2.gz	QAGITJRFIGAJIX-JQHSSLGASA-N	1	0	371.489	1.895	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)CCc2csc(C)n2)[C@@H](n2ccnn2)C1	ZINC001129294824	890182550	/nfs/dbraw/zinc/18/25/50/890182550.db2.gz	VUGWNPLNAGRHHG-CVEARBPZSA-N	1	0	360.487	1.593	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CCN(c3cncc(C#N)n3)C2)CC[N@@H+]1C	ZINC001063146920	890243414	/nfs/dbraw/zinc/24/34/14/890243414.db2.gz	XVMMTNWYRSQKPZ-YESZJQIVSA-N	1	0	356.474	1.506	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(NC(=O)C[N@@H+](C)C(C)C)CCC1	ZINC001063207668	890300492	/nfs/dbraw/zinc/30/04/92/890300492.db2.gz	UFTKDEAZYAITEL-RDJZCZTQSA-N	1	0	351.491	1.463	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3C3CC3)CCC2)CC1	ZINC001063196801	890309691	/nfs/dbraw/zinc/30/96/91/890309691.db2.gz	GLNNPZLQKGZANM-ZWKOTPCHSA-N	1	0	357.498	1.533	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1OC	ZINC001212337198	890318699	/nfs/dbraw/zinc/31/86/99/890318699.db2.gz	BQQKUUDPUPRTFT-HUUCEWRRSA-N	1	0	354.882	1.557	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](CCNc3ccnc(C#N)n3)C2)CC[N@@H+]1C	ZINC001063301824	890427743	/nfs/dbraw/zinc/42/77/43/890427743.db2.gz	FCAQRUDOEYIPLJ-YESZJQIVSA-N	1	0	370.501	1.541	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)C[N@H+](C)C2CCC2)C1	ZINC001006178553	890480361	/nfs/dbraw/zinc/48/03/61/890480361.db2.gz	HCWANHTUUHWHAK-OLMNPRSZSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1(CNC(=O)C2([NH+](C)C)CCC2)CCC1	ZINC001063362538	890485620	/nfs/dbraw/zinc/48/56/20/890485620.db2.gz	VQDXSJUPRFDCDD-CVEARBPZSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3CN(C(C)C)CCO3)C[C@H]2C)C1	ZINC000939965612	891579844	/nfs/dbraw/zinc/57/98/44/891579844.db2.gz	HIMODLIIBBJJPM-BRWVUGGUSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOC)C1	ZINC001112541164	891621690	/nfs/dbraw/zinc/62/16/90/891621690.db2.gz	IZQWDIVFBKJEJC-SCTDSRPQSA-N	1	0	351.491	1.322	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c(F)cccc2F)C[C@H]1C	ZINC001106916149	891763405	/nfs/dbraw/zinc/76/34/05/891763405.db2.gz	CAMIPRUVRZPNAM-HZSPNIEDSA-N	1	0	365.424	1.953	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCn3nccc31)C2	ZINC001112434534	891921792	/nfs/dbraw/zinc/92/17/92/891921792.db2.gz	BFPAVKROAGPHSD-WFXMLNOXSA-N	1	0	370.497	1.629	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1	ZINC001002149726	891993141	/nfs/dbraw/zinc/99/31/41/891993141.db2.gz	BLBGZWXPYIENLZ-AYBZRNKSSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCOc2cc(OC)cc(OC)c2)CC1	ZINC000921499249	892153007	/nfs/dbraw/zinc/15/30/07/892153007.db2.gz	VCZWRKFSKDPDJL-UHFFFAOYSA-N	1	0	361.442	1.479	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)c1	ZINC000940288717	892166511	/nfs/dbraw/zinc/16/65/11/892166511.db2.gz	YOEZZEIWTJGBNI-RVKKMQEKSA-N	1	0	354.454	1.124	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)cc(C)c2)C[C@H]1C	ZINC001106918770	892336574	/nfs/dbraw/zinc/33/65/74/892336574.db2.gz	WWMMKCFUMLAPSU-ZHALLVOQSA-N	1	0	355.482	1.739	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2occ3c2CCCC3)C[C@H]1C	ZINC001106919974	892505367	/nfs/dbraw/zinc/50/53/67/892505367.db2.gz	HKCDPKGLAFHJEV-GDBMZVCRSA-N	1	0	357.454	1.206	20	30		FDEDRO
COC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C[C@H]1c1ccc(O)cc1	ZINC000451090829	893033890	/nfs/dbraw/zinc/03/38/90/893033890.db2.gz	PVIROUXWCOVLAA-XOKHGSTOSA-N	1	0	359.426	1.341	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1	ZINC000940744919	893071888	/nfs/dbraw/zinc/07/18/88/893071888.db2.gz	LQTJWVWZOZJTLM-ZACQAIPSSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCO[C@H](c3ccco3)C2)CC1	ZINC000672356301	893175225	/nfs/dbraw/zinc/17/52/25/893175225.db2.gz	HZLCHTZNIVNYAF-KRWDZBQOSA-N	1	0	361.442	1.336	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@]2(C)CCNC(=O)C2)[C@H](OC)C1	ZINC001212455313	893570320	/nfs/dbraw/zinc/57/03/20/893570320.db2.gz	OEDDPGSPPOKONS-GPMSIDNRSA-N	1	0	351.491	1.465	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CNc1cnn(CC(=O)NCC[NH+](C)C)c1	ZINC000921963334	893594587	/nfs/dbraw/zinc/59/45/87/893594587.db2.gz	RZSMTJJEMKHBOU-UHFFFAOYSA-N	1	0	354.458	1.662	20	30		FDEDRO
CC1(C)C[N@H+](Cc2ccc(C#N)s2)CC[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O	ZINC000941034123	893711556	/nfs/dbraw/zinc/71/15/56/893711556.db2.gz	BHJHULOACADRMR-QLFBSQMISA-N	1	0	360.483	1.458	20	30		FDEDRO
C[C@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)c1ccccc1	ZINC001106951063	894041648	/nfs/dbraw/zinc/04/16/48/894041648.db2.gz	PNYUVUUPBDCFLS-JFIYKMOQSA-N	1	0	356.470	1.504	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1	ZINC000672589830	894086707	/nfs/dbraw/zinc/08/67/07/894086707.db2.gz	HFKWXXMNDVACPL-UHFFFAOYSA-N	1	0	359.470	1.812	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cnc3ccccn3c2=O)[C@H](OC)C1	ZINC001212467150	894264884	/nfs/dbraw/zinc/26/48/84/894264884.db2.gz	SYFCQBUWUKTYIC-HZPDHXFCSA-N	1	0	356.426	1.090	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(C(F)F)c(C)nn1C	ZINC000922021619	894459114	/nfs/dbraw/zinc/45/91/14/894459114.db2.gz	ACHDOPHWYSVPGI-UHFFFAOYSA-N	1	0	360.430	1.384	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(CNC(C)=O)cc1	ZINC000922025248	894533581	/nfs/dbraw/zinc/53/35/81/894533581.db2.gz	FHJAUQRHCAYMEF-UHFFFAOYSA-N	1	0	363.483	1.041	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1	ZINC000941791407	895768288	/nfs/dbraw/zinc/76/82/88/895768288.db2.gz	QSOFHEHKUJYEJR-IXDOHACOSA-N	1	0	365.518	1.804	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](C[C@H](O)c2cccc(OC)c2)C1	ZINC001031988836	896174898	/nfs/dbraw/zinc/17/48/98/896174898.db2.gz	OWPFNQRSFHXTRA-QYZOEREBSA-N	1	0	360.454	1.368	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H]3CC[C@]32C[NH3+])c1	ZINC000903539553	896689565	/nfs/dbraw/zinc/68/95/65/896689565.db2.gz	DXVSUVYDHLUZRB-YJBOKZPZSA-N	1	0	363.483	1.494	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1	ZINC000671109785	896767180	/nfs/dbraw/zinc/76/71/80/896767180.db2.gz	XKXGGFLNIUGDFW-MOPGFXCFSA-N	1	0	355.482	1.987	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)CCC3)C[C@H]1C	ZINC001106967928	896799729	/nfs/dbraw/zinc/79/97/29/896799729.db2.gz	BBDZKOAXUUSIPJ-GQIGUUNPSA-N	1	0	367.493	1.611	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H](Cc3ccccc3)C(N)=O)C2=O)cc1	ZINC000273468499	896818397	/nfs/dbraw/zinc/81/83/97/896818397.db2.gz	PPONBPIPHWAORV-MOPGFXCFSA-N	1	0	362.433	1.740	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH2+][C@H](Cc3ccccc3)C(N)=O)C2=O)cc1	ZINC000273468503	896822333	/nfs/dbraw/zinc/82/23/33/896822333.db2.gz	PPONBPIPHWAORV-RBUKOAKNSA-N	1	0	362.433	1.740	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)n2)C[C@H]1C	ZINC001106968935	896860727	/nfs/dbraw/zinc/86/07/27/896860727.db2.gz	ALQYUFQOQMLEDA-IAGOWNOFSA-N	1	0	369.469	1.768	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C	ZINC001212430293	897001195	/nfs/dbraw/zinc/00/11/95/897001195.db2.gz	IBIUVTPEWGEVGV-XUVXKRRUSA-N	1	0	370.497	1.748	20	30		FDEDRO
CC#CC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@@H]3CCO[C@H]3CC)C2)n1	ZINC001128112983	897208700	/nfs/dbraw/zinc/20/87/00/897208700.db2.gz	PVFGZKQHPNERTJ-QRVBRYPASA-N	1	0	370.497	1.705	20	30		FDEDRO
C#CCC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@H]3OCC[C@H]3C)C2)n1	ZINC001128118372	897314824	/nfs/dbraw/zinc/31/48/24/897314824.db2.gz	MZQLHSVEXIUPLI-SUMDDJOVSA-N	1	0	356.470	1.314	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)CC1	ZINC000921721414	897331768	/nfs/dbraw/zinc/33/17/68/897331768.db2.gz	IBKKWOOJLFICTD-MRXNPFEDSA-N	1	0	364.490	1.687	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(CCOc3cccc(F)c3)C[C@H]2O)cn1	ZINC001078023621	897615830	/nfs/dbraw/zinc/61/58/30/897615830.db2.gz	GGARBPRYJZKRSS-RTBURBONSA-N	1	0	369.396	1.056	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cncc(N3CCCC3)n1)C2	ZINC001112540593	897667739	/nfs/dbraw/zinc/66/77/39/897667739.db2.gz	FCLCTZPCYHFFHJ-UWJYYQICSA-N	1	0	367.497	1.932	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(CC)C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000942744472	897720482	/nfs/dbraw/zinc/72/04/82/897720482.db2.gz	NBSPILGUGCBBFD-XYJFISCASA-N	1	0	371.485	1.680	20	30		FDEDRO
Cn1cc(S(=O)(=O)N2CCC([NH2+]Cc3csc(C#N)c3)CC2)cn1	ZINC000921774626	897899770	/nfs/dbraw/zinc/89/97/70/897899770.db2.gz	SBVVPPXNLXSKCA-UHFFFAOYSA-N	1	0	365.484	1.296	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](N(CC)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC000942816864	897910839	/nfs/dbraw/zinc/91/08/39/897910839.db2.gz	ZBXWVUYZRRNRKA-AYOQOUSVSA-N	1	0	368.481	1.466	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C(=O)C(C)C)C1	ZINC001078221006	898401201	/nfs/dbraw/zinc/40/12/01/898401201.db2.gz	CJASUKVNZRIQOD-IXDOHACOSA-N	1	0	351.491	1.151	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2N(C(=O)C(F)F)CC3)CC1	ZINC000995326640	898462083	/nfs/dbraw/zinc/46/20/83/898462083.db2.gz	XXUHKJBGSSYHSK-DNVCBOLYSA-N	1	0	367.440	1.484	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N[C@@H]2C[N@H+](CC[C@H](C)F)C[C@H]2O)cc1	ZINC001078243450	898506473	/nfs/dbraw/zinc/50/64/73/898506473.db2.gz	MDVIHUHDHIRCOC-BMGDILEWSA-N	1	0	350.434	1.703	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000943285298	898618538	/nfs/dbraw/zinc/61/85/38/898618538.db2.gz	MJOMHXOVRMJFHD-RYQLBKOJSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001078471986	898799833	/nfs/dbraw/zinc/79/98/33/898799833.db2.gz	KQPBBQQAQVKGBF-AQNXPRMDSA-N	1	0	369.465	1.856	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](OC)C1	ZINC000943466086	898904376	/nfs/dbraw/zinc/90/43/76/898904376.db2.gz	OZFCGKDICPPRCZ-MDZRGWNJSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)COc2ccc(C(N)=O)cc2)C[C@H]1C	ZINC001107001252	899054285	/nfs/dbraw/zinc/05/42/85/899054285.db2.gz	MGUUOERDHWAECW-NVXWUHKLSA-N	1	0	359.470	1.815	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccco2)C[C@H]1C	ZINC001107002502	899158737	/nfs/dbraw/zinc/15/87/37/899158737.db2.gz	DCUQYEMQAVUZDH-HUUCEWRRSA-N	1	0	356.426	1.617	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cn1	ZINC000943713062	899229111	/nfs/dbraw/zinc/22/91/11/899229111.db2.gz	QPOVHVZIGXVUAZ-UTRMSSBJSA-N	1	0	368.481	1.560	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1	ZINC000943707641	899261474	/nfs/dbraw/zinc/26/14/74/899261474.db2.gz	FITPPYVEVMKCKC-TVFCKZIOSA-N	1	0	363.502	1.607	20	30		FDEDRO
CCCCCC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001107014462	899544924	/nfs/dbraw/zinc/54/49/24/899544924.db2.gz	UEJBUTXZDYXHLT-HZPDHXFCSA-N	1	0	350.507	1.917	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1	ZINC000944050591	899762629	/nfs/dbraw/zinc/76/26/29/899762629.db2.gz	FPPZAAXOFNLSRC-ATZDWAIDSA-N	1	0	353.466	1.729	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C	ZINC000944048858	899791274	/nfs/dbraw/zinc/79/12/74/899791274.db2.gz	IZQWDMJSGJBXQD-OWSLCNJRSA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2CNC(=O)[C@@H]2C[C@H]2C2CCC2)CC1	ZINC000944073714	899804539	/nfs/dbraw/zinc/80/45/39/899804539.db2.gz	VLIOXXLQOMTZIE-HSALFYBXSA-N	1	0	371.525	1.875	20	30		FDEDRO
[NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1	ZINC000415643263	899836199	/nfs/dbraw/zinc/83/61/99/899836199.db2.gz	ISBWRWPWNUQJFE-VQIMIIECSA-N	1	0	362.433	1.806	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@H](F)CC)[C@H](C)C1	ZINC001107036852	900033310	/nfs/dbraw/zinc/03/33/10/900033310.db2.gz	SOQQANSLHQHIJD-RBSFLKMASA-N	1	0	356.486	1.682	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3c3ncccn3)[C@@H]2C1	ZINC001084421308	914404440	/nfs/dbraw/zinc/40/44/40/914404440.db2.gz	IXLNCJOWGMODRD-FGTMMUONSA-N	1	0	355.486	1.944	20	30		FDEDRO
CN1CC[NH+](CCC(C)(C)NC(=O)NCc2ccc(C#N)cc2F)CC1	ZINC000185357716	900052357	/nfs/dbraw/zinc/05/23/57/900052357.db2.gz	GLTQWDDFFSQXQB-UHFFFAOYSA-N	1	0	361.465	1.913	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccnc(N(C)C)c2)[C@H](C)C1	ZINC001107062839	900390445	/nfs/dbraw/zinc/39/04/45/900390445.db2.gz	VFTAMMXPUUOLJY-SOLBZPMBSA-N	1	0	360.502	1.923	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2csc(COC)n2)C[C@H]1C	ZINC001107069120	900484155	/nfs/dbraw/zinc/48/41/55/900484155.db2.gz	PFDLQUJARDMFFP-ZIAGYGMSSA-N	1	0	353.488	1.790	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1	ZINC000763923657	900712669	/nfs/dbraw/zinc/71/26/69/900712669.db2.gz	PTUASNJLDRFWTA-UHFFFAOYSA-N	1	0	350.444	1.214	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1	ZINC000763929895	900805357	/nfs/dbraw/zinc/80/53/57/900805357.db2.gz	WPFSAWJMFCBBQJ-UHFFFAOYSA-N	1	0	365.499	1.254	20	30		FDEDRO
C[N@@H+]1CCC[C@](O)(CC(=O)N[C@@H](C#N)c2ccc(Br)cc2)C1	ZINC000900112170	900936226	/nfs/dbraw/zinc/93/62/26/900936226.db2.gz	SYPGEPGPBDOKAG-HOCLYGCPSA-N	1	0	366.259	1.977	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)[C@H](C)C2)CCCC1	ZINC001107099117	900944302	/nfs/dbraw/zinc/94/43/02/900944302.db2.gz	WLDZMNUGJWUCFT-HUUCEWRRSA-N	1	0	361.490	1.429	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCC2CCOCC2)[C@@H](n2ccnn2)C1	ZINC001129301678	901002302	/nfs/dbraw/zinc/00/23/02/901002302.db2.gz	VSLDSTBOHQOPLJ-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1	ZINC001063752650	901111845	/nfs/dbraw/zinc/11/18/45/901111845.db2.gz	BJORQXQCLDQSPS-GPMSIDNRSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(C[C@H]2CC[N@H+](CCc3ccccc3)C2)C1=O	ZINC000348417494	901310948	/nfs/dbraw/zinc/31/09/48/901310948.db2.gz	LLJKGEMWNYMBKV-ROUUACIJSA-N	1	0	357.454	1.674	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2cncc(C#N)n2)CC[N@@H+]1C	ZINC001064544402	901396957	/nfs/dbraw/zinc/39/69/57/901396957.db2.gz	WOTYCQQUWVGMES-MXASKKJJSA-N	1	0	354.458	1.258	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NC(=O)c2ccc3c[nH+]cn3c2)CCC1	ZINC001064584545	901436937	/nfs/dbraw/zinc/43/69/37/901436937.db2.gz	RXDWDWWEEBFHFS-SJORKVTESA-N	1	0	368.437	1.694	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NC(=O)CC[C@@H]2CCC[N@H+]2C)CCC1	ZINC001064585541	901439760	/nfs/dbraw/zinc/43/97/60/901439760.db2.gz	LWJCCRUUTQZTCB-BBWFWOEESA-N	1	0	363.502	1.607	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)n1	ZINC001090351245	901782280	/nfs/dbraw/zinc/78/22/80/901782280.db2.gz	CBCFRGSYJCJXBI-DLBZAZTESA-N	1	0	353.470	1.641	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C2CCOCC2)C1	ZINC001079122748	901920486	/nfs/dbraw/zinc/92/04/86/901920486.db2.gz	QZUDGOCQVMRNTA-WOJBJXKFSA-N	1	0	356.466	1.510	20	30		FDEDRO
CC(C)[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2c[nH]c(C#N)c2)C1	ZINC001079131501	901943947	/nfs/dbraw/zinc/94/39/47/901943947.db2.gz	WUVCKJQQIXXUMQ-RTBURBONSA-N	1	0	352.438	1.982	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cn(C)cn2)C1	ZINC001079132581	901947149	/nfs/dbraw/zinc/94/71/49/901947149.db2.gz	VDQQAWGMRLFKDR-RTBURBONSA-N	1	0	352.438	1.131	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CS(C)(=O)=O)CC[C@H]1c1ccc(F)cc1	ZINC001079149174	901978137	/nfs/dbraw/zinc/97/81/37/901978137.db2.gz	GJLCSLDKTAUUMK-DLBZAZTESA-N	1	0	368.474	1.721	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)n2cncn2)CC[C@H]1c1ccc(F)cc1	ZINC001079151348	901985845	/nfs/dbraw/zinc/98/58/45/901985845.db2.gz	MRUYOOOQXPXGHH-FHLIZLRMSA-N	1	0	355.417	1.586	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@]23C[C@H]2COC3)C1	ZINC001079135657	902000376	/nfs/dbraw/zinc/00/03/76/902000376.db2.gz	GAIXOMNQIVJIRP-PXCRPINLSA-N	1	0	356.466	1.673	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2c(C)ncn2C)C1	ZINC001079136815	902008374	/nfs/dbraw/zinc/00/83/74/902008374.db2.gz	DYKOVFMBDCEJLL-RTBURBONSA-N	1	0	368.481	1.992	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2c[nH]nc2C)C1	ZINC001079140500	902028878	/nfs/dbraw/zinc/02/88/78/902028878.db2.gz	LOBAGLRJMGSDSV-RTBURBONSA-N	1	0	354.454	1.982	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]Cc2ccnn2C)C1	ZINC001079174824	902058340	/nfs/dbraw/zinc/05/83/40/902058340.db2.gz	JBABNRDIVRGVLB-DOPJRALCSA-N	1	0	355.417	1.803	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)CC[C@H]1c1ccc(F)cc1	ZINC001079156891	902074967	/nfs/dbraw/zinc/07/49/67/902074967.db2.gz	NCOQGJHPVMQJDT-DOTOQJQBSA-N	1	0	356.401	1.683	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCN(C(C)=O)C2)CC[C@H]1c1ccc(F)cc1	ZINC001079161062	902085484	/nfs/dbraw/zinc/08/54/84/902085484.db2.gz	CYMPVUILXPYZTI-YZGWKJHDSA-N	1	0	371.456	1.601	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)CC[C@H]1c1ccc(F)cc1	ZINC001079162425	902088736	/nfs/dbraw/zinc/08/87/36/902088736.db2.gz	KUYXLHOWBLATGG-FUHWJXTLSA-N	1	0	370.428	1.693	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)CC[C@H]1c1ccc(F)cc1	ZINC001079162707	902090055	/nfs/dbraw/zinc/09/00/55/902090055.db2.gz	XPDZMNUFFAPSCD-DLBZAZTESA-N	1	0	370.428	1.084	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c3c(nn2C)CCC3)C[C@H]1c1cccc(F)c1	ZINC001079207268	902114327	/nfs/dbraw/zinc/11/43/27/902114327.db2.gz	XBKMVZODPBAFQO-PKOBYXMFSA-N	1	0	366.440	1.879	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH]nc3C2)C[C@H]1c1cccc(F)c1	ZINC001079210858	902119039	/nfs/dbraw/zinc/11/90/39/902119039.db2.gz	FBLOUPBTPQEQRL-ZAAXVRCTSA-N	1	0	366.440	1.871	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnc3n2CCOC3)C[C@H]1c1cccc(F)c1	ZINC001079187384	902133110	/nfs/dbraw/zinc/13/31/10/902133110.db2.gz	CJYCIOMXDWOJLC-DLBZAZTESA-N	1	0	370.428	1.936	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@H]1c1cccc(F)c1	ZINC001079187608	902134752	/nfs/dbraw/zinc/13/47/52/902134752.db2.gz	OPUOUPHAIIDLJA-VXIBKDFQSA-N	1	0	352.413	1.870	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1c1cccc(F)c1	ZINC001079188607	902136799	/nfs/dbraw/zinc/13/67/99/902136799.db2.gz	IXPUHRLGECBHEZ-RCCFBDPRSA-N	1	0	359.445	1.955	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn3c2OCCC3)C[C@H]1c1cccc(F)c1	ZINC001079190295	902144417	/nfs/dbraw/zinc/14/44/17/902144417.db2.gz	KUJBZTAFFWQPKP-ZWKOTPCHSA-N	1	0	368.412	1.636	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1c1cccc(F)c1	ZINC001079192312	902149391	/nfs/dbraw/zinc/14/93/91/902149391.db2.gz	ADRJBHIPULSMRW-ZWKOTPCHSA-N	1	0	354.429	1.709	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1c1cccc(F)c1	ZINC001079194950	902155646	/nfs/dbraw/zinc/15/56/46/902155646.db2.gz	VNCFMQPNCZKHOM-FGTMMUONSA-N	1	0	359.445	1.764	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)C[C@H]1c1cccc(F)c1	ZINC001079195499	902159101	/nfs/dbraw/zinc/15/91/01/902159101.db2.gz	YACZFWFGICOPBY-SQGPQFPESA-N	1	0	357.429	1.259	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)CCc3nnc[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079232891	902166800	/nfs/dbraw/zinc/16/68/00/902166800.db2.gz	DHDQDUBGJBIXFP-JKSUJKDBSA-N	1	0	359.474	1.253	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCOC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079234559	902171452	/nfs/dbraw/zinc/17/14/52/902171452.db2.gz	REINPRCTDYTWOE-CEXWTWQISA-N	1	0	360.498	1.766	20	30		FDEDRO
Cc1cc(C[NH+]2CCC3(CN(C(=O)C#CC4CC4)[C@@H]4COC[C@@H]43)CC2)on1	ZINC001079240960	902190435	/nfs/dbraw/zinc/19/04/35/902190435.db2.gz	HPAAENBMFUMGSX-RBUKOAKNSA-N	1	0	369.465	1.836	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cnn(C)c2)C[C@H]1c1cccc(F)c1	ZINC001079212100	902196250	/nfs/dbraw/zinc/19/62/50/902196250.db2.gz	JBFIAJOWKKLCFY-ZOCIIQOWSA-N	1	0	354.429	1.880	20	30		FDEDRO
COCC(=O)N1CC2(CC[NH+](Cc3ccccc3C#N)CC2)[C@H]2COC[C@H]21	ZINC001079212034	902196514	/nfs/dbraw/zinc/19/65/14/902196514.db2.gz	GESCQOMPJYFUHO-RBUKOAKNSA-N	1	0	369.465	1.644	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)nc2)C[C@H]1c1cccc(F)c1	ZINC001079211953	902196595	/nfs/dbraw/zinc/19/65/95/902196595.db2.gz	ALJVKVXZAUWZPB-FUHWJXTLSA-N	1	0	366.396	1.151	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC2(CC[NH+](CCOC3CCC3)CC2)[C@H]2COC[C@H]21	ZINC001079228510	902244016	/nfs/dbraw/zinc/24/40/16/902244016.db2.gz	PAGQSHKBLHNEJX-BPQIPLTHSA-N	1	0	361.486	1.655	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)CCc3ccncn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079244816	902249600	/nfs/dbraw/zinc/24/96/00/902249600.db2.gz	HEKHZGOEFKMLAY-RBUKOAKNSA-N	1	0	368.481	1.372	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cn(C)c(C)cc3=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079247094	902260158	/nfs/dbraw/zinc/26/01/58/902260158.db2.gz	LMDXXQKOHRRWCS-ZWKOTPCHSA-N	1	0	371.481	1.433	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3ccn(C)c(=O)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079248142	902262429	/nfs/dbraw/zinc/26/24/29/902262429.db2.gz	JXZFNVAIIOFOPM-ZWKOTPCHSA-N	1	0	371.481	1.514	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3ccnc(OC)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079250111	902268623	/nfs/dbraw/zinc/26/86/23/902268623.db2.gz	MQCABWIAQDFDJD-ZWKOTPCHSA-N	1	0	369.465	1.667	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)Cn3cncc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079251321	902271959	/nfs/dbraw/zinc/27/19/59/902271959.db2.gz	QIRMSSILTKLRHN-ZWKOTPCHSA-N	1	0	358.486	1.707	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)Cc3cc(C)nn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079251319	902271982	/nfs/dbraw/zinc/27/19/82/902271982.db2.gz	QFZLRYULBPSDLN-ZWKOTPCHSA-N	1	0	358.486	1.396	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)C[C@H](C)c3cnn(C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079252523	902275021	/nfs/dbraw/zinc/27/50/21/902275021.db2.gz	MHXJGMRAMATMDW-YTQUADARSA-N	1	0	370.497	1.486	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)Cc3cncc(C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079254146	902278552	/nfs/dbraw/zinc/27/85/52/902278552.db2.gz	NQZOMHUWCNJHEE-RBUKOAKNSA-N	1	0	353.466	1.505	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc(CCC)n[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079254451	902279931	/nfs/dbraw/zinc/27/99/31/902279931.db2.gz	DJSFRKAPIYZKTQ-FUHWJXTLSA-N	1	0	356.470	1.548	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3c[nH]c(=O)cc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079260771	902299259	/nfs/dbraw/zinc/29/92/59/902299259.db2.gz	OHQJIJCWJBANNL-ZWKOTPCHSA-N	1	0	369.465	1.672	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)C[C@H](C)n3ccnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079263867	902308066	/nfs/dbraw/zinc/30/80/66/902308066.db2.gz	PDZAEKWIVSHOOL-GBESFXJTSA-N	1	0	370.497	1.797	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc(C4CC4)no3)[C@@H]3COC[C@@H]32)CC1	ZINC001079264085	902309300	/nfs/dbraw/zinc/30/93/00/902309300.db2.gz	YQRPUSCBPWWOBT-DOTOQJQBSA-N	1	0	355.438	1.738	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH]cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079265565	902312003	/nfs/dbraw/zinc/31/20/03/902312003.db2.gz	PBOPOZBMINFRTF-RYQLBKOJSA-N	1	0	358.486	1.714	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cnn(CC4CC4)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269029	902322768	/nfs/dbraw/zinc/32/27/68/902322768.db2.gz	BNQATAZIPLOWIJ-RBUKOAKNSA-N	1	0	368.481	1.479	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)CCc3cnccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269111	902322915	/nfs/dbraw/zinc/32/29/15/902322915.db2.gz	GWOOXPXIZZDIFC-RBUKOAKNSA-N	1	0	368.481	1.372	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cnc(OC)nc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269421	902326079	/nfs/dbraw/zinc/32/60/79/902326079.db2.gz	XBKXQXDUUGMJID-DLBZAZTESA-N	1	0	370.453	1.062	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC3(CC[NH+](CCCF)CC3)[C@H]3COC[C@H]32)cn1	ZINC001079270149	902327030	/nfs/dbraw/zinc/32/70/30/902327030.db2.gz	DJKCJOWUKPCJFE-RBUKOAKNSA-N	1	0	371.456	1.976	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@H](C)Oc3ccccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079270103	902327388	/nfs/dbraw/zinc/32/73/88/902327388.db2.gz	AMMYTBMNUQSENG-OKZBNKHCSA-N	1	0	369.465	1.422	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@H](C)c3cccnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079270347	902330291	/nfs/dbraw/zinc/33/02/91/902330291.db2.gz	NWMWSPZOMKEQAL-NZSAHSFTSA-N	1	0	353.466	1.758	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ccc(OC)cc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079271545	902333878	/nfs/dbraw/zinc/33/38/78/902333878.db2.gz	URUFQAOAZSQUBJ-RBUKOAKNSA-N	1	0	354.450	1.881	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)COCC3)C[C@H]1c1ccccc1F	ZINC001079299553	902344756	/nfs/dbraw/zinc/34/47/56/902344756.db2.gz	WYACBXBABMGPLR-DOTOQJQBSA-N	1	0	368.412	1.383	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCNC(=O)C2)C[C@H]1c1ccccc1F	ZINC001079300525	902346683	/nfs/dbraw/zinc/34/66/83/902346683.db2.gz	MOTOJFFBWKVGMM-XAUMDUMWSA-N	1	0	359.445	1.812	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2cncnc2)C[C@H]1c1ccccc1F	ZINC001079302704	902351887	/nfs/dbraw/zinc/35/18/87/902351887.db2.gz	FYWTVAHMXAFQOF-PKOBYXMFSA-N	1	0	352.413	1.766	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)CCc3cnn(C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079274059	902355080	/nfs/dbraw/zinc/35/50/80/902355080.db2.gz	DWEWUHRXAKUSMK-RBUKOAKNSA-N	1	0	370.497	1.315	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cc(N(C)C)ccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079274113	902355116	/nfs/dbraw/zinc/35/51/16/902355116.db2.gz	HSRQDDVTVWZTSU-PKOBYXMFSA-N	1	0	370.497	1.887	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](OC)c2cnn(C)c2)C[C@H]1c1ccccc1F	ZINC001079303928	902389013	/nfs/dbraw/zinc/38/90/13/902389013.db2.gz	HSAHYXFRQSDEGR-UHOSZYNNSA-N	1	0	370.428	1.464	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1c1ccccc1F	ZINC001079297773	902403013	/nfs/dbraw/zinc/40/30/13/902403013.db2.gz	JYNFXVHZPAHBJR-QILLFSRXSA-N	1	0	359.445	1.812	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2ccn(C)n2)C[C@H]1c1ccccc1F	ZINC001079297616	902403253	/nfs/dbraw/zinc/40/32/53/902403253.db2.gz	ASNUWXZFTSZCHD-PKOBYXMFSA-N	1	0	354.429	1.709	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cn2nnnc2C(C)C)C[C@H]1c1ccccc1F	ZINC001079314924	902409287	/nfs/dbraw/zinc/40/92/87/902409287.db2.gz	RVUIZUYCSXAFEU-DOTOQJQBSA-N	1	0	370.432	1.153	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCc2cn(C)nn2)C[C@H]1c1ccccc1F	ZINC001079323157	902427587	/nfs/dbraw/zinc/42/75/87/902427587.db2.gz	LBJVWJDYHUJMBS-FUHWJXTLSA-N	1	0	357.433	1.657	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)ccn2)C[C@H]1c1ccccc1F	ZINC001079324461	902429164	/nfs/dbraw/zinc/42/91/64/902429164.db2.gz	RBECXTVZHFPOTD-MAUKXSAKSA-N	1	0	366.396	1.151	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C(C)(C)C1	ZINC000995927924	902647669	/nfs/dbraw/zinc/64/76/69/902647669.db2.gz	ZFJOUASCUMNWSQ-QGTPRVQTSA-N	1	0	357.454	1.689	20	30		FDEDRO
Cc1ncc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]2C)[nH]1	ZINC001079497472	902714684	/nfs/dbraw/zinc/71/46/84/902714684.db2.gz	FNRCEBVZVAUXSZ-FZKQIMNGSA-N	1	0	353.426	1.871	20	30		FDEDRO
CC[C@H](C(=O)N1C[C@H]2CCN(Cc3ccc(OC)c(C#N)c3)C[C@H]21)[NH+](C)C	ZINC001084448411	914669625	/nfs/dbraw/zinc/66/96/25/914669625.db2.gz	WNVJXACDVBBUEZ-BHIYHBOVSA-N	1	0	370.497	1.940	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N(CCOC)C[C@@H](O)C(F)(F)F)CC1	ZINC000654431262	902972814	/nfs/dbraw/zinc/97/28/14/902972814.db2.gz	CKNSXWNRFCVDKJ-CQSZACIVSA-N	1	0	367.412	1.608	20	30		FDEDRO
C[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001079726172	903144422	/nfs/dbraw/zinc/14/44/22/903144422.db2.gz	GSAIMHPIXFDFSV-XNFNUYLZSA-N	1	0	357.473	1.954	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1cccn2nnnc12	ZINC001079766087	903233782	/nfs/dbraw/zinc/23/37/82/903233782.db2.gz	QIPAEYBBVOBQDY-CXAGYDPISA-N	1	0	361.409	1.246	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[C@H]1CCC(=O)NC1	ZINC001079836049	903455758	/nfs/dbraw/zinc/45/57/58/903455758.db2.gz	SUKCSAGPZOLGIW-ZTFGCOKTSA-N	1	0	354.454	1.411	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2csc(C)n2)C[C@H]1C	ZINC001079878171	903602687	/nfs/dbraw/zinc/60/26/87/903602687.db2.gz	KETRKVVJLPWJQU-OLMNPRSZSA-N	1	0	360.527	1.528	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cc3n(n2)CCC3)C(C)(C)C1	ZINC000996329734	903707863	/nfs/dbraw/zinc/70/78/63/903707863.db2.gz	IYCOQKPVEMRQOL-SQNIBIBYSA-N	1	0	358.486	1.747	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1CCc2cncn2C1	ZINC001079991221	903815039	/nfs/dbraw/zinc/81/50/39/903815039.db2.gz	ACYVBPGQMYSJRZ-MOXGXCLJSA-N	1	0	363.465	1.954	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1CCc2cncn2C1	ZINC001079991222	903815475	/nfs/dbraw/zinc/81/54/75/903815475.db2.gz	ACYVBPGQMYSJRZ-XFQXTVEOSA-N	1	0	363.465	1.954	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2cnns2)C(C)(C)C1	ZINC000996404110	903863411	/nfs/dbraw/zinc/86/34/11/903863411.db2.gz	ALYGXUQCDACBGX-KKUMJFAQSA-N	1	0	350.488	1.846	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(=O)N2CCCC2)C(C)(C)C1	ZINC000996409831	903875848	/nfs/dbraw/zinc/87/58/48/903875848.db2.gz	YDDHQXHLHROVCD-JZXOWHBKSA-N	1	0	363.502	1.417	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CC3CCCCC3)CCC[C@@H]12	ZINC001107267783	904236841	/nfs/dbraw/zinc/23/68/41/904236841.db2.gz	KIJOJESVIKESKA-YLJYHZDGSA-N	1	0	360.502	1.957	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCC3CCCC3)CCC[C@@H]12	ZINC001107268692	904238986	/nfs/dbraw/zinc/23/89/86/904238986.db2.gz	YJGFQHBLCNVXEO-YLJYHZDGSA-N	1	0	360.502	1.957	20	30		FDEDRO
Cc1cc(C[N@@H+]2CC[C@@]3(CNC(=O)CSCC#N)CCC[C@@H]23)ncn1	ZINC001107291385	904366754	/nfs/dbraw/zinc/36/67/54/904366754.db2.gz	YKWFMDANSRCHAG-SJLPKXTDSA-N	1	0	359.499	1.903	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCOC)CC2	ZINC001107317794	904441445	/nfs/dbraw/zinc/44/14/45/904441445.db2.gz	BGXHGOSASAPSEU-NLWGTHIKSA-N	1	0	368.518	1.991	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(C)(C)CC)CC2	ZINC001107330688	904461120	/nfs/dbraw/zinc/46/11/20/904461120.db2.gz	JJEXUNYDYLEKBC-OXQOHEQNSA-N	1	0	365.518	1.855	20	30		FDEDRO
CCN(CC)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C#N)c[nH]3)CCC[C@@H]12	ZINC001107349741	904553231	/nfs/dbraw/zinc/55/32/31/904553231.db2.gz	PCVUYGXDTCXACL-YLJYHZDGSA-N	1	0	371.485	1.729	20	30		FDEDRO
C#CCCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nc(=O)n(C)[nH]1)CC2	ZINC001107371771	904594028	/nfs/dbraw/zinc/59/40/28/904594028.db2.gz	AZJJUQADILEJES-DNVCBOLYSA-N	1	0	359.474	1.163	20	30		FDEDRO
CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2	ZINC001107374036	904604106	/nfs/dbraw/zinc/60/41/06/904604106.db2.gz	HDRSTQHCHAZQEF-DENIHFKCSA-N	1	0	367.493	1.925	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnnn1CC)CC2	ZINC001107378793	904622962	/nfs/dbraw/zinc/62/29/62/904622962.db2.gz	MVXOCJUBBZAVGX-NZSAHSFTSA-N	1	0	361.490	1.486	20	30		FDEDRO
C[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2)n1cccc1	ZINC001107367607	904624424	/nfs/dbraw/zinc/62/44/24/904624424.db2.gz	FILCZZJKCUSYGS-FRQCXROJSA-N	1	0	357.458	1.050	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ncc[nH]3)CCC[C@@H]12	ZINC001107393293	904695158	/nfs/dbraw/zinc/69/51/58/904695158.db2.gz	JDLBQNDPZAXZLE-OXQOHEQNSA-N	1	0	371.485	1.585	20	30		FDEDRO
CO[C@@H]1CN(Cc2cc(C3CC3)no2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC001081507072	904717655	/nfs/dbraw/zinc/71/76/55/904717655.db2.gz	DBXIKJBYLBFAMX-IAGOWNOFSA-N	1	0	355.398	1.381	20	30		FDEDRO
C[C@H](C[N@@H+]1CC[C@@]2(CNC(=O)C#CC3CC3)CCC[C@@H]12)CS(C)(=O)=O	ZINC001107399924	904731586	/nfs/dbraw/zinc/73/15/86/904731586.db2.gz	QHCMIXLWRLNJIW-SZVBFZGTSA-N	1	0	366.527	1.441	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccnc(OCCOC)c3)CCC[C@@H]12	ZINC001107403164	904741007	/nfs/dbraw/zinc/74/10/07/904741007.db2.gz	XPOAGHUZMQTQQZ-YLJYHZDGSA-N	1	0	357.454	1.714	20	30		FDEDRO
C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cc(OC)ccn1)CC2	ZINC001107404615	904746633	/nfs/dbraw/zinc/74/66/33/904746633.db2.gz	FIONUXBZGKAILI-TZIWHRDSSA-N	1	0	371.481	1.991	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C(CC=C)CC=C)CCC[C@@H]12	ZINC001107417767	904790924	/nfs/dbraw/zinc/79/09/24/904790924.db2.gz	PNWOOFPUSPBBLY-WIYYLYMNSA-N	1	0	357.498	1.865	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccnn3C(F)F)CCC[C@@H]12	ZINC001107419167	904797784	/nfs/dbraw/zinc/79/77/84/904797784.db2.gz	JIYNUXVCPBAQNO-CRAIPNDOSA-N	1	0	366.412	1.902	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3cn(C)nc3C)CCC[C@@H]12	ZINC001107439668	904921829	/nfs/dbraw/zinc/92/18/29/904921829.db2.gz	LYKBQLRPUWAROQ-UYAOXDASSA-N	1	0	358.486	1.282	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4nc[nH]c4n3)CCC[C@@H]12	ZINC001107448727	904967539	/nfs/dbraw/zinc/96/75/39/904967539.db2.gz	QHOGPRAPGUWNNF-YLJYHZDGSA-N	1	0	367.453	1.582	20	30		FDEDRO
Cc1n[nH]c(=O)c(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2C)c1C	ZINC001080242375	904989561	/nfs/dbraw/zinc/98/95/61/904989561.db2.gz	YKYXRFXMTOJOOY-SJKOYZFVSA-N	1	0	365.437	1.921	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)CCS(=O)(=O)CC(C)C)CCC[C@@H]12	ZINC001107453894	905006111	/nfs/dbraw/zinc/00/61/11/905006111.db2.gz	GYZACBWZNGMGMU-SJLPKXTDSA-N	1	0	356.532	1.994	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3COCCN3CC)CCC[C@@H]12	ZINC001107457955	905028156	/nfs/dbraw/zinc/02/81/56/905028156.db2.gz	ZBASEUGERTVCKB-QWFCFKBJSA-N	1	0	365.518	1.271	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C)c(F)c3)CCC[C@@H]12	ZINC001107465299	905036301	/nfs/dbraw/zinc/03/63/01/905036301.db2.gz	VCWZPFZWSZJYCD-WIYYLYMNSA-N	1	0	371.456	1.858	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)CC(F)F)CCC[C@@H]12	ZINC001107478033	905149138	/nfs/dbraw/zinc/14/91/38/905149138.db2.gz	BQNDUNDMNKAEDY-HBUWYVDXSA-N	1	0	357.445	1.941	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3ccccn3)CCC[C@@H]12	ZINC001107496931	905202977	/nfs/dbraw/zinc/20/29/77/905202977.db2.gz	NTFBKCFFNUPRGU-WIYYLYMNSA-N	1	0	370.497	1.677	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCN(S(C)(=O)=O)C3)C[C@H]2C)C1	ZINC001080406353	905368273	/nfs/dbraw/zinc/36/82/73/905368273.db2.gz	REXLCNLFWSWKGG-OWCLPIDISA-N	1	0	369.531	1.061	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3occc3CC)CCC[C@@H]12	ZINC001107531853	905394234	/nfs/dbraw/zinc/39/42/34/905394234.db2.gz	FXUUCIMIFAREDT-OXQOHEQNSA-N	1	0	357.454	1.566	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCOCCO)CC3)c1	ZINC001107538630	905437228	/nfs/dbraw/zinc/43/72/28/905437228.db2.gz	QAZBDDBYOHDGCI-UYAOXDASSA-N	1	0	357.454	1.046	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC)CC3)c1	ZINC001107538844	905439884	/nfs/dbraw/zinc/43/98/84/905439884.db2.gz	XONXQEUSZPQCCG-YLJYHZDGSA-N	1	0	354.454	1.173	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CS(=O)(=O)N(CC)CC)CCC[C@@H]12	ZINC001107563656	905603850	/nfs/dbraw/zinc/60/38/50/905603850.db2.gz	LXBRKGJJPMVENK-SJLPKXTDSA-N	1	0	369.531	1.042	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccn(CC)n3)CCC[C@@H]12	ZINC001107564230	905662710	/nfs/dbraw/zinc/66/27/10/905662710.db2.gz	NPTQMQIOEWDCDM-VQIMIIECSA-N	1	0	359.474	1.180	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)OCCOC)CCC[C@@H]12	ZINC001107567571	905680325	/nfs/dbraw/zinc/68/03/25/905680325.db2.gz	ZLHAHNSMQMUZFP-YQVWRLOYSA-N	1	0	352.475	1.049	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)Cc3ccco3)CCC[C@@H]12	ZINC001107577989	905772507	/nfs/dbraw/zinc/77/25/07/905772507.db2.gz	ZEXVXLOHCOEKQP-YRISNDGFSA-N	1	0	371.481	1.568	20	30		FDEDRO
Cc1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)cs1	ZINC001107578811	905778517	/nfs/dbraw/zinc/77/85/17/905778517.db2.gz	BFEMXBUVMQTUTF-CRAIPNDOSA-N	1	0	360.483	1.671	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@H]2OC)c1	ZINC001082118343	905833898	/nfs/dbraw/zinc/83/38/98/905833898.db2.gz	SUXYSQVTSLZHJK-RTBURBONSA-N	1	0	357.454	1.309	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)CC(=O)NCC(F)(F)F)CCC[C@@H]12	ZINC001107593498	905874082	/nfs/dbraw/zinc/87/40/82/905874082.db2.gz	NYUYSIGUDZSGSJ-CZUORRHYSA-N	1	0	361.408	1.992	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(N(C)C)nn3)CCC[C@@H]12	ZINC001107609793	905966027	/nfs/dbraw/zinc/96/60/27/905966027.db2.gz	DSDQSQAYFKYCGY-YLJYHZDGSA-N	1	0	371.485	1.167	20	30		FDEDRO
C[C@H](CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2)n1cccc1	ZINC001107614108	905991172	/nfs/dbraw/zinc/99/11/72/905991172.db2.gz	QOXSDTQEVBRJBF-MBOZVWFJSA-N	1	0	371.485	1.440	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccc(C)cc2)C[C@H]1OC	ZINC001082149579	905992643	/nfs/dbraw/zinc/99/26/43/905992643.db2.gz	AZZSOCHGSQSTNP-YSTOQKLRSA-N	1	0	358.482	1.944	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1OC	ZINC001082151057	905995930	/nfs/dbraw/zinc/99/59/30/905995930.db2.gz	ZIDSMGZGYOSVBJ-WCXIOVBPSA-N	1	0	350.484	1.697	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](CC)[NH+](C)C)nn1	ZINC000996878458	906050281	/nfs/dbraw/zinc/05/02/81/906050281.db2.gz	GTYROHRBXIWTHQ-OHFALNGGSA-N	1	0	374.489	1.056	20	30		FDEDRO
N#Cc1ccccc1C[N@@H+]1CC[C@@]2(CNC(=O)Cn3cncn3)CCC[C@@H]12	ZINC001107627001	906085325	/nfs/dbraw/zinc/08/53/25/906085325.db2.gz	DZCOMMXTGJKJLY-UYAOXDASSA-N	1	0	364.453	1.711	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CCCOC3)CCC[C@@H]12	ZINC001107635179	906126059	/nfs/dbraw/zinc/12/60/59/906126059.db2.gz	ILTIBCNLRVJBNN-SQGPQFPESA-N	1	0	363.502	1.466	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)CS(=O)(=O)NC(C)(C)C)CCC[C@@H]12	ZINC001107636874	906138844	/nfs/dbraw/zinc/13/88/44/906138844.db2.gz	ITRMUJPDYDZZBN-RHSMWYFYSA-N	1	0	357.520	1.251	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cccn3C(C)C)CCC[C@@H]12	ZINC001107632869	906150390	/nfs/dbraw/zinc/15/03/90/906150390.db2.gz	BQHWVZOJGKJLAX-WIYYLYMNSA-N	1	0	370.497	1.793	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)NC(=O)c3ccco3)CCC[C@@H]12	ZINC001107638449	906179959	/nfs/dbraw/zinc/17/99/59/906179959.db2.gz	AMMFNCOWDRTFQH-XAUMDUMWSA-N	1	0	357.454	1.782	20	30		FDEDRO
CCn1nc(C)c(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC#CCOC)CC3)n1	ZINC001107655366	906258688	/nfs/dbraw/zinc/25/86/88/906258688.db2.gz	YVLPCEUANZQJHD-VQIMIIECSA-N	1	0	359.474	1.231	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(CF)cc3)CCC[C@@H]12	ZINC001107647675	906271745	/nfs/dbraw/zinc/27/17/45/906271745.db2.gz	TXZXMGZYNHLEBA-WIYYLYMNSA-N	1	0	371.456	1.880	20	30		FDEDRO
C=CCOc1ccc(CC(=O)NC[C@]23CCC[C@H]2[N@H+](CC(N)=O)CC3)cc1	ZINC001107648363	906277209	/nfs/dbraw/zinc/27/72/09/906277209.db2.gz	HVVFRBBWTUMGQZ-WIYYLYMNSA-N	1	0	371.481	1.640	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1C	ZINC001080851512	906445360	/nfs/dbraw/zinc/44/53/60/906445360.db2.gz	NKUGNEWTDUMVPB-OXQOHEQNSA-N	1	0	350.466	1.623	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1	ZINC000765314767	906769568	/nfs/dbraw/zinc/76/95/68/906769568.db2.gz	PWQCYWOHSJAVLW-NSISKUIASA-N	1	0	367.497	1.889	20	30		FDEDRO
CO[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001082326258	906904442	/nfs/dbraw/zinc/90/44/42/906904442.db2.gz	VUFBQODZZKTDLA-IPMKNSEASA-N	1	0	356.470	1.215	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001082326460	906906330	/nfs/dbraw/zinc/90/63/30/906906330.db2.gz	DXJYPGXCDLXIKH-ATZDWAIDSA-N	1	0	356.470	1.215	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2ncnn2CC(F)F)CC1	ZINC000997013084	906932398	/nfs/dbraw/zinc/93/23/98/906932398.db2.gz	YPLQLGSGNALJGY-KGLIPLIRSA-N	1	0	369.416	1.215	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3ncc(CC)o3)C[C@H]2C)CC1	ZINC001080998135	906975616	/nfs/dbraw/zinc/97/56/16/906975616.db2.gz	UKXHDQWPHOOAAK-CRAIPNDOSA-N	1	0	358.486	1.519	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCS(=O)(=O)C1)C2	ZINC001112539328	906986231	/nfs/dbraw/zinc/98/62/31/906986231.db2.gz	UYLITVJQKORNRQ-BQFCYCMXSA-N	1	0	352.500	1.053	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1c1ccccc1	ZINC001081129973	907229085	/nfs/dbraw/zinc/22/90/85/907229085.db2.gz	PJFBEASEZLTFBY-GVDBMIGSSA-N	1	0	361.873	1.992	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc(C)nc3C2)C[C@H]1c1ccccc1	ZINC001081134055	907235501	/nfs/dbraw/zinc/23/55/01/907235501.db2.gz	MQQSFOYGPKHLIY-SLFFLAALSA-N	1	0	362.477	1.971	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)S(C)(=O)=O)C[C@H]1c1ccccc1	ZINC001081134396	907236505	/nfs/dbraw/zinc/23/65/05/907236505.db2.gz	TYCVCGFUGCOBKT-HYVNUMGLSA-N	1	0	350.484	1.580	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@H]1c1ccccc1	ZINC001081142949	907253311	/nfs/dbraw/zinc/25/33/11/907253311.db2.gz	CLROBOLLGDYWSR-GBESFXJTSA-N	1	0	370.497	1.937	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnc3c(c2)nnn3C)C[C@H]1c1ccccc1	ZINC001081146220	907256283	/nfs/dbraw/zinc/25/62/83/907256283.db2.gz	AGUXOWZMSZXJMP-FUHWJXTLSA-N	1	0	362.437	1.747	20	30		FDEDRO
N#CCN[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1c1ccccc1	ZINC001081151974	907266180	/nfs/dbraw/zinc/26/61/80/907266180.db2.gz	XPJKKBXDNIVHJM-XUVXKRRUSA-N	1	0	352.482	1.969	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1c1ccccc1	ZINC001081162222	907280401	/nfs/dbraw/zinc/28/04/01/907280401.db2.gz	BKFUFUFMVKOMBT-YESZJQIVSA-N	1	0	361.873	1.801	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCS(=O)(=O)C2)C[C@H]1c1ccccc1	ZINC001081190507	907368797	/nfs/dbraw/zinc/36/87/97/907368797.db2.gz	GCZCIWIDVKCNLI-FGTMMUONSA-N	1	0	360.479	1.029	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN(C(=O)CCC)C2)[C@H](OC)C1	ZINC001082383033	907374154	/nfs/dbraw/zinc/37/41/54/907374154.db2.gz	FPYFNUYVHGBKIL-BRWVUGGUSA-N	1	0	351.491	1.417	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)s2)C[C@H]1c1ccccc1	ZINC001081195800	907376836	/nfs/dbraw/zinc/37/68/36/907376836.db2.gz	VHKFURSKSYDSAR-LSDHHAIUSA-N	1	0	353.447	1.678	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN2CC(F)(F)F)[C@H](OC)C1	ZINC001082385189	907402038	/nfs/dbraw/zinc/40/20/38/907402038.db2.gz	CHELVSPBFZWMIB-RBSFLKMASA-N	1	0	363.424	1.795	20	30		FDEDRO
Cc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)cnn1C	ZINC001082424926	907657307	/nfs/dbraw/zinc/65/73/07/907657307.db2.gz	PMOQWZIYTOMGOF-AUUYWEPGSA-N	1	0	367.453	1.881	20	30		FDEDRO
Cc1cnn(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)c1	ZINC001082439717	907770779	/nfs/dbraw/zinc/77/07/79/907770779.db2.gz	IRQSSKRJCDEDBX-RDTXWAMCSA-N	1	0	355.417	1.839	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C)C(=O)N1CCC(C)CC1	ZINC001082464735	907897946	/nfs/dbraw/zinc/89/79/46/907897946.db2.gz	DVDARFUELARWLE-IIDMSEBBSA-N	1	0	371.485	1.583	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2nnc[nH]2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082465805	907903000	/nfs/dbraw/zinc/90/30/00/907903000.db2.gz	WUSAWQBOBWLBCD-MLGOLLRUSA-N	1	0	356.405	1.385	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1[NH2+]Cc1ccc2c(c1)nnn2C	ZINC001082483465	907905246	/nfs/dbraw/zinc/90/52/46/907905246.db2.gz	FTIACBUVMZJLFU-SJKOYZFVSA-N	1	0	363.425	1.418	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]CC(=O)N1CCCCCC1	ZINC001082480175	907947562	/nfs/dbraw/zinc/94/75/62/907947562.db2.gz	LJDRNRJJUCCKQD-RHSMWYFYSA-N	1	0	357.458	1.339	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1)n1cncn1	ZINC001082481648	907955827	/nfs/dbraw/zinc/95/58/27/907955827.db2.gz	INEVYWCEOMQIND-IIYDPXPESA-N	1	0	356.405	1.487	20	30		FDEDRO
C[C@@H]1CN(C(=O)CO[C@H]2CCOC2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082508086	908153263	/nfs/dbraw/zinc/15/32/63/908153263.db2.gz	PKLKNGDRUCVAIU-RPVQJOFSSA-N	1	0	361.417	1.439	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1	ZINC001082519135	908207713	/nfs/dbraw/zinc/20/77/13/908207713.db2.gz	UULIMCYFQURXPB-DDBAPUKQSA-N	1	0	359.470	1.303	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc[nH]c2C)CC1	ZINC000997356656	908310686	/nfs/dbraw/zinc/31/06/86/908310686.db2.gz	FBHLHFMFWSATCQ-NEWSRXKRSA-N	1	0	368.481	1.530	20	30		FDEDRO
C=CCN1CCO[C@](C)(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1	ZINC001107951881	908366288	/nfs/dbraw/zinc/36/62/88/908366288.db2.gz	VTEIECNMMZTKNK-WSTZPKSXSA-N	1	0	365.518	1.126	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@]1(C)C[N@H+](CCCOCC)CCO1	ZINC001107953258	908428019	/nfs/dbraw/zinc/42/80/19/908428019.db2.gz	WRVUZNXIYXKVHS-AOIWGVFYSA-N	1	0	354.491	1.601	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@]1(C)C[N@H+](CCCCCOC)CCO1	ZINC001107953251	908428370	/nfs/dbraw/zinc/42/83/70/908428370.db2.gz	WEBOJZJDQVOKAI-WSTZPKSXSA-N	1	0	368.518	1.991	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@]1(C)C[N@H+](CCCOCC)CCO1	ZINC001107953259	908428561	/nfs/dbraw/zinc/42/85/61/908428561.db2.gz	WRVUZNXIYXKVHS-ZIFCJYIRSA-N	1	0	354.491	1.601	20	30		FDEDRO
C#CCN(C(=O)NC[C@H](C)CNC(=O)OC(C)(C)C)C1CC[NH+](C)CC1	ZINC000921597192	908552143	/nfs/dbraw/zinc/55/21/43/908552143.db2.gz	QPILNZAKFVMCER-HNNXBMFYSA-N	1	0	366.506	1.886	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082562860	908647052	/nfs/dbraw/zinc/64/70/52/908647052.db2.gz	QWHLZYFJLQCXMB-IAQYHMDHSA-N	1	0	357.439	1.459	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(F)c2F)C1	ZINC001082567909	908704623	/nfs/dbraw/zinc/70/46/23/908704623.db2.gz	KUMWJFFBSSRRIM-OLMNPRSZSA-N	1	0	361.436	1.999	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cc(Cl)cn2)C1	ZINC001082568675	908713234	/nfs/dbraw/zinc/71/32/34/908713234.db2.gz	LQXHIKHNCPBDLS-OIISXLGYSA-N	1	0	363.893	1.071	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1C	ZINC001082569805	908721588	/nfs/dbraw/zinc/72/15/88/908721588.db2.gz	FMYLVFVSIJOOPI-AHMDFLBRSA-N	1	0	373.453	1.307	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C[N@@H+]1C1CC1	ZINC000267908971	908735116	/nfs/dbraw/zinc/73/51/16/908735116.db2.gz	LIIUKCRVTRMRKU-GDBMZVCRSA-N	1	0	354.458	1.410	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082576239	908743228	/nfs/dbraw/zinc/74/32/28/908743228.db2.gz	XGOWHEBVRPYMPM-OAUYIBNBSA-N	1	0	358.417	1.160	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)C3CC(OC)C3)C[C@H]2C)cc1C#N	ZINC001082580548	908780632	/nfs/dbraw/zinc/78/06/32/908780632.db2.gz	RHGLBUDSSWWTEQ-WGDNJCCTSA-N	1	0	357.454	1.928	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccnc(CCC)c3)C[C@H]2C)C1=O	ZINC001082574848	908822947	/nfs/dbraw/zinc/82/29/47/908822947.db2.gz	VDQDOERTORHENW-ATZDWAIDSA-N	1	0	370.497	1.871	20	30		FDEDRO
CCOc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)[nH]n1	ZINC001082585531	908901017	/nfs/dbraw/zinc/90/10/17/908901017.db2.gz	OMRYZWBPVLKDKE-CXAGYDPISA-N	1	0	353.426	1.930	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCc3cncn3C2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082604132	908923603	/nfs/dbraw/zinc/92/36/03/908923603.db2.gz	DQTITZDGIBBTCD-XFQXTVEOSA-N	1	0	363.465	1.954	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1)S(C)(=O)=O	ZINC001082597962	908946790	/nfs/dbraw/zinc/94/67/90/908946790.db2.gz	VAPJUAVLYWVNDI-XHBSWPGZSA-N	1	0	367.446	1.067	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cncn2)C1	ZINC001082599626	908957691	/nfs/dbraw/zinc/95/76/91/908957691.db2.gz	CGSQZGDVSNXWNZ-NVXWUHKLSA-N	1	0	355.442	1.593	20	30		FDEDRO
CCN1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001082608453	908985230	/nfs/dbraw/zinc/98/52/30/908985230.db2.gz	XUSRVGBUEKCHTM-ATZDWAIDSA-N	1	0	356.470	1.215	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2CCC(C(N)=O)CC2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082609837	908995499	/nfs/dbraw/zinc/99/54/99/908995499.db2.gz	JULNZQVXEFYOIR-YOODTLSXSA-N	1	0	368.481	1.786	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1	ZINC000997534306	909037403	/nfs/dbraw/zinc/03/74/03/909037403.db2.gz	FEXRRDGFWIWDAF-CNNODRBYSA-N	1	0	365.477	1.389	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1CN(Cc2cnoc2C)C[C@H]1OC)OCC	ZINC001212354614	909067062	/nfs/dbraw/zinc/06/70/62/909067062.db2.gz	DEKATKGTNTVXAY-BRWVUGGUSA-N	1	0	351.447	1.670	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1OC)OCC	ZINC001212355022	909072777	/nfs/dbraw/zinc/07/27/77/909072777.db2.gz	QGMZKAFHZSZGAD-KZNAEPCWSA-N	1	0	354.491	1.600	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)[C@H](OC)C1	ZINC001212355019	909073123	/nfs/dbraw/zinc/07/31/23/909073123.db2.gz	QFROEIHMWCIKMB-ARFHVFGLSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)CCc3cccnc3)C[C@H]2C)C1=O	ZINC001082622720	909137731	/nfs/dbraw/zinc/13/77/31/909137731.db2.gz	MNQGVMFIFSZXCI-BPQIPLTHSA-N	1	0	356.470	1.238	20	30		FDEDRO
COc1cnc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)nc1	ZINC001082633499	909196993	/nfs/dbraw/zinc/19/69/93/909196993.db2.gz	QYHDZUYRNJSZJH-SJKOYZFVSA-N	1	0	369.400	1.746	20	30		FDEDRO
COCCn1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)n1	ZINC001082635092	909222857	/nfs/dbraw/zinc/22/28/57/909222857.db2.gz	AIDWYHSFHFPNQA-DNVCBOLYSA-N	1	0	367.453	1.651	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC(=O)N2CCC2)CC1	ZINC000997588969	909268228	/nfs/dbraw/zinc/26/82/28/909268228.db2.gz	KGZNBFRPADLWFO-JQHSSLGASA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CN2CCCCCCC2=O)[C@H](OC)C1	ZINC001212371009	909294383	/nfs/dbraw/zinc/29/43/83/909294383.db2.gz	XWGKANDJEULGFH-KZNAEPCWSA-N	1	0	365.518	1.949	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3ccccc3C)C[C@H]2O)nn1	ZINC001077812986	909300743	/nfs/dbraw/zinc/30/07/43/909300743.db2.gz	WUZXMAJRQFQXOJ-SZVBFZGTSA-N	1	0	369.469	1.699	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)Cn2cncc2C)C[C@H]1C	ZINC001082646200	909309513	/nfs/dbraw/zinc/30/95/13/909309513.db2.gz	CHTQOQFCYKVNFN-RDTXWAMCSA-N	1	0	367.453	1.709	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccc(=O)[nH]c2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082648652	909335144	/nfs/dbraw/zinc/33/51/44/909335144.db2.gz	NXHYWYJKXJVLGS-FZKQIMNGSA-N	1	0	368.412	1.977	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082659438	909374570	/nfs/dbraw/zinc/37/45/70/909374570.db2.gz	KYOIQVMGGHROLK-SMNXXWJPSA-N	1	0	358.417	1.160	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc(F)ccc3C)C[C@H]2C)C1=O	ZINC001082671950	909432844	/nfs/dbraw/zinc/43/28/44/909432844.db2.gz	JQWPTTRRQMJESV-FHLIZLRMSA-N	1	0	359.445	1.971	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc(C(C)C)on3)C[C@H]2C)C1=O	ZINC001082670221	909486257	/nfs/dbraw/zinc/48/62/57/909486257.db2.gz	ZXYWTNQJEANFEG-IIAWOOMASA-N	1	0	360.458	1.635	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3n[nH]nc3C)C[C@H]2C)cc1C#N	ZINC001082679376	909501133	/nfs/dbraw/zinc/50/11/33/909501133.db2.gz	RTKRTHWUDVSIKS-IAQYHMDHSA-N	1	0	354.414	1.244	20	30		FDEDRO
Cc1noc(CCC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)n1	ZINC001082674844	909525744	/nfs/dbraw/zinc/52/57/44/909525744.db2.gz	FAOBCWKWZDGGBM-CXAGYDPISA-N	1	0	353.426	1.819	20	30		FDEDRO
Cc1n[nH]c(=O)c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)s3)C2)c1C	ZINC001082677659	909552919	/nfs/dbraw/zinc/55/29/19/909552919.db2.gz	AHHOAUSTSPBUOY-MEBBXXQBSA-N	1	0	371.466	1.983	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCC(C)CC3)C2)cc1	ZINC001082678178	909557747	/nfs/dbraw/zinc/55/77/47/909557747.db2.gz	CAXTZQNKOLGSLM-YLJYHZDGSA-N	1	0	367.493	1.977	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H](CC)c3ccccc3)C[C@H]2O)nn1	ZINC001077814019	909563127	/nfs/dbraw/zinc/56/31/27/909563127.db2.gz	OLIQUNBBFVIJAR-NZSAHSFTSA-N	1	0	369.469	1.780	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@H]2O)nn1	ZINC001077814021	909566984	/nfs/dbraw/zinc/56/69/84/909566984.db2.gz	OPSUKQUMCXBMHU-NVXWUHKLSA-N	1	0	359.474	1.209	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)C3(c4cccnc4)CC3)C[C@H]2C)C1=O	ZINC001082698847	909665054	/nfs/dbraw/zinc/66/50/54/909665054.db2.gz	KGVMYRHEESYKEL-KBAYOESNSA-N	1	0	368.481	1.337	20	30		FDEDRO
CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)CC1	ZINC000997794340	909718958	/nfs/dbraw/zinc/71/89/58/909718958.db2.gz	QTSNLCCWCPHUEP-QXAKKESOSA-N	1	0	358.486	1.528	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(=O)n3nccc3[nH]2)C1	ZINC001082722108	909828885	/nfs/dbraw/zinc/82/88/85/909828885.db2.gz	XXTCBRWOSLWNNZ-ZXYWRSMDSA-N	1	0	357.458	1.561	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@H]3CCCS(=O)(=O)C3)C2)CC1	ZINC001082722955	909832893	/nfs/dbraw/zinc/83/28/93/909832893.db2.gz	QBYLJSOLSQWKBB-JFIYKMOQSA-N	1	0	368.543	1.994	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCc3nnn(C(C)(C)C)n3)C2)C1	ZINC001082729471	909859435	/nfs/dbraw/zinc/85/94/35/909859435.db2.gz	CQRHVVUYKYAKSC-HUUCEWRRSA-N	1	0	360.506	1.763	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OC)nn3)C2)c1	ZINC001082730395	909867002	/nfs/dbraw/zinc/86/70/02/909867002.db2.gz	RXHPUCINIVOHNF-CXAGYDPISA-N	1	0	351.410	1.112	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc(=O)n2C)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082731742	909878442	/nfs/dbraw/zinc/87/84/42/909878442.db2.gz	SMAAEWXJEBDJTJ-CXAGYDPISA-N	1	0	368.412	1.646	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)Cc2ccnc(OC)c2)C[C@H]1C	ZINC001082743673	909957724	/nfs/dbraw/zinc/95/77/24/909957724.db2.gz	SUMZFTFHYINKGF-BXUZGUMPSA-N	1	0	368.275	1.978	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nccn3C)C2)cc1	ZINC001082789741	910153992	/nfs/dbraw/zinc/15/39/92/910153992.db2.gz	RWLATPXSIPAJOJ-CRAIPNDOSA-N	1	0	352.438	1.682	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ncc(Cl)n3C)C2)nn1	ZINC001082791291	910193648	/nfs/dbraw/zinc/19/36/48/910193648.db2.gz	KKDDVOMVIMVJJT-VXGBXAGGSA-N	1	0	363.853	1.101	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082802524	910226855	/nfs/dbraw/zinc/22/68/55/910226855.db2.gz	LEORUENFQIHTAD-SRCQZFHVSA-N	1	0	358.417	1.303	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(C#N)c1	ZINC000998064574	910260470	/nfs/dbraw/zinc/26/04/70/910260470.db2.gz	RKJVCDRXMUXYJQ-QZWWFDLISA-N	1	0	355.442	1.232	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nnnn2C(C)C)CC1	ZINC000998094903	910333472	/nfs/dbraw/zinc/33/34/72/910333472.db2.gz	OKKYWAUDAVLTSO-CVEARBPZSA-N	1	0	362.478	1.173	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(CC3CC3)nn2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082828761	910347249	/nfs/dbraw/zinc/34/72/49/910347249.db2.gz	FPIAPKFPUBXMIA-MLGOLLRUSA-N	1	0	370.482	1.872	20	30		FDEDRO
Cc1cc(=O)c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)s3)C2)c[nH]1	ZINC001082838312	910373846	/nfs/dbraw/zinc/37/38/46/910373846.db2.gz	KQINIDVJFJEGRZ-BDJLRTHQSA-N	1	0	356.451	1.867	20	30		FDEDRO
C=C(C)C[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC000998113504	910375828	/nfs/dbraw/zinc/37/58/28/910375828.db2.gz	ADVDYTUOTDONNN-FGTMMUONSA-N	1	0	365.518	1.901	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cnn(CC4CC4)c3)C[C@H]2C)C1=O	ZINC001082846402	910422683	/nfs/dbraw/zinc/42/26/83/910422683.db2.gz	SYSQQFLLAXDYDW-ZTFGCOKTSA-N	1	0	371.485	1.130	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccc(C)cc2)C1	ZINC001077817960	910446955	/nfs/dbraw/zinc/44/69/55/910446955.db2.gz	BZHCMOODKKKCPZ-WTGUMLROSA-N	1	0	356.466	1.647	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2nncs2)CC1	ZINC000998149647	910457389	/nfs/dbraw/zinc/45/73/89/910457389.db2.gz	XFYVLQJCJGKDRK-HOCLYGCPSA-N	1	0	350.488	1.848	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCOCC2)C1	ZINC001082869037	910509884	/nfs/dbraw/zinc/50/98/84/910509884.db2.gz	LMUBWARHYBLHKR-VQIMIIECSA-N	1	0	371.481	1.960	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCCCO2)C1	ZINC001082869070	910511160	/nfs/dbraw/zinc/51/11/60/910511160.db2.gz	NQCKFTHVYJVVIW-SOLBZPMBSA-N	1	0	357.454	1.713	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OC)nn3)C2)nc1	ZINC001082869226	910512850	/nfs/dbraw/zinc/51/28/50/910512850.db2.gz	YGKIYYPWRQGNAA-CXAGYDPISA-N	1	0	351.410	1.112	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)nn2)C[C@H]1C	ZINC001082866423	910547102	/nfs/dbraw/zinc/54/71/02/910547102.db2.gz	JGEAXRNJKALHBH-ZWNOBZJWSA-N	1	0	368.279	1.501	20	30		FDEDRO
Cc1ccc(=O)n(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)n1	ZINC001082874991	910573048	/nfs/dbraw/zinc/57/30/48/910573048.db2.gz	OQJKLYVCBLSVDC-RDTXWAMCSA-N	1	0	365.437	1.060	20	30		FDEDRO
Cc1nc[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1	ZINC001082884206	910659919	/nfs/dbraw/zinc/65/99/19/910659919.db2.gz	IHPSEEJUMKEDAL-KZULUSFZSA-N	1	0	355.417	1.908	20	30		FDEDRO
Cc1nc[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC001082884750	910663889	/nfs/dbraw/zinc/66/38/89/910663889.db2.gz	DLRHZIMYBALTQJ-KZULUSFZSA-N	1	0	355.417	1.908	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]cnc3C)C[C@H]2C)cc1C#N	ZINC001082885003	910665093	/nfs/dbraw/zinc/66/50/93/910665093.db2.gz	XSUZBQMLLNLEJL-FZKQIMNGSA-N	1	0	367.453	1.778	20	30		FDEDRO
Cc1nn(C)c(F)c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001082889720	910700499	/nfs/dbraw/zinc/70/04/99/910700499.db2.gz	SPQDNMCIZYTXGF-MLGOLLRUSA-N	1	0	355.417	1.990	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN2CCCC2=O)s1	ZINC001085129779	921602611	/nfs/dbraw/zinc/60/26/11/921602611.db2.gz	HBGKBRFAILCRPC-HZPDHXFCSA-N	1	0	360.483	1.759	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)CCc3nccs3)C[C@H]2C)C1=O	ZINC001082929834	910947497	/nfs/dbraw/zinc/94/74/97/910947497.db2.gz	VJDDLSGSQIOHPB-QLFBSQMISA-N	1	0	362.499	1.299	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)C1=CC[N@H+](C)CC1	ZINC000273058789	911010172	/nfs/dbraw/zinc/01/01/72/911010172.db2.gz	YEHCHEYEBYKTQD-CABCVRRESA-N	1	0	369.473	1.219	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@H]1O	ZINC001077821762	911145776	/nfs/dbraw/zinc/14/57/76/911145776.db2.gz	FLYKZDNUBHWTLW-BQJUDKOJSA-N	1	0	370.493	1.818	20	30		FDEDRO
CCn1nc(C)c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)n1	ZINC001082961818	911181969	/nfs/dbraw/zinc/18/19/69/911181969.db2.gz	VRVRANDAUCKMBY-SJKOYZFVSA-N	1	0	370.432	1.868	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cn(C)nn2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082962032	911185651	/nfs/dbraw/zinc/18/56/51/911185651.db2.gz	KNADPQIEHUEFSP-RDTXWAMCSA-N	1	0	352.442	1.256	20	30		FDEDRO
Cn1nc2c(c1C[NH2+]C1CCN(c3ccc(C#N)cn3)CC1)COCC2	ZINC000921670338	911229752	/nfs/dbraw/zinc/22/97/52/911229752.db2.gz	JCQIPFPJCJAQJY-UHFFFAOYSA-N	1	0	352.442	1.518	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2[C@H](C)C[N@H+](CC)C[C@@H]2C)cc1	ZINC000655142304	911626043	/nfs/dbraw/zinc/62/60/43/911626043.db2.gz	YXZPPNOKXQDAFI-GASCZTMLSA-N	1	0	365.499	1.706	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ncnn2CCC)C1	ZINC000998787577	911671743	/nfs/dbraw/zinc/67/17/43/911671743.db2.gz	JIEBIURWJWXINF-BACDZXNISA-N	1	0	361.490	1.748	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CCO[C@@H]3C[N@H+](CC[C@H]4CCCCO4)C[C@@H]32)c1	ZINC001083039787	911758642	/nfs/dbraw/zinc/75/86/42/911758642.db2.gz	PALQTVIHQUDSAI-BPQIPLTHSA-N	1	0	358.442	1.371	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](C(C)C)[NH+](C)C)cn1	ZINC000998953265	911922239	/nfs/dbraw/zinc/92/22/39/911922239.db2.gz	CDXLINSNAODQJX-YDZRNGNQSA-N	1	0	368.481	1.511	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CC[N@@H+](C)C1	ZINC000999012979	911962843	/nfs/dbraw/zinc/96/28/43/911962843.db2.gz	NHWWRDCUUNNDAT-YRPNKDGESA-N	1	0	365.477	1.410	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCCN(C(=O)C4CC4)C3)[C@H]2C1	ZINC001083091951	911975854	/nfs/dbraw/zinc/97/58/54/911975854.db2.gz	KNTIKTWGVMYUOF-OKZBNKHCSA-N	1	0	361.486	1.123	20	30		FDEDRO
C=C(Cl)CN1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)[C@H]2C1	ZINC001083104525	912032620	/nfs/dbraw/zinc/03/26/20/912032620.db2.gz	GUEJHBICYBIZSP-YESZJQIVSA-N	1	0	355.910	1.628	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)CCn3c(C)csc3=O)[C@H]2C1	ZINC001083105806	912044337	/nfs/dbraw/zinc/04/43/37/912044337.db2.gz	SRAQPFJMOJWCRI-JKSUJKDBSA-N	1	0	365.499	1.486	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4ccc(OC)cc43)[C@H]2C1	ZINC001083107681	912057018	/nfs/dbraw/zinc/05/70/18/912057018.db2.gz	RFMFWAAZBWTCCX-YZGWKJHDSA-N	1	0	354.450	1.660	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(CNC(C)=O)cc3)[C@H]2C1	ZINC001083133732	912079022	/nfs/dbraw/zinc/07/90/22/912079022.db2.gz	MVZDZFKTTNEMLA-RBUKOAKNSA-N	1	0	357.454	1.424	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCCCC2)C1	ZINC000999183638	912192973	/nfs/dbraw/zinc/19/29/73/912192973.db2.gz	VWYXNFBPVVHUGR-KSZLIROESA-N	1	0	363.502	1.561	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](C[C@H](O)Cn4cccn4)C[C@H]32)cc1	ZINC001084569034	915407136	/nfs/dbraw/zinc/40/71/36/915407136.db2.gz	DXFAOUHETXUVTD-HSALFYBXSA-N	1	0	364.449	1.072	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCCCC(=O)N4)[C@@H]3C2)c1	ZINC001084653994	915888741	/nfs/dbraw/zinc/88/87/41/915888741.db2.gz	AEXHBIHXLNAZLE-GUDVDZBRSA-N	1	0	366.465	1.650	20	30		FDEDRO
C[C@@]1(C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)CCNC1=O	ZINC001084658017	915918790	/nfs/dbraw/zinc/91/87/90/915918790.db2.gz	YVDMRBCKDMZWAL-MBOZVWFJSA-N	1	0	352.438	1.117	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](NC(=O)OCC)C2)CC1	ZINC000730029069	915967330	/nfs/dbraw/zinc/96/73/30/915967330.db2.gz	BBCXVMVSZIYZAI-INIZCTEOSA-N	1	0	352.479	1.947	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C(N)=O)cc3)C[C@H]21	ZINC001084672794	916066854	/nfs/dbraw/zinc/06/68/54/916066854.db2.gz	NWZSTVIUJDAGMG-MKXGPGLRSA-N	1	0	369.465	1.409	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3CC[N@H+](CCc4ccccc4)C[C@H]32)nn1	ZINC001084708724	916393133	/nfs/dbraw/zinc/39/31/33/916393133.db2.gz	QTIRXIFWPOGITQ-IEBWSBKVSA-N	1	0	351.454	1.853	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CCN4CCOCC4)[C@@H]3C2)cc1	ZINC001084722278	916512452	/nfs/dbraw/zinc/51/24/52/916512452.db2.gz	HKMAYKYUCUZEKO-WOJBJXKFSA-N	1	0	368.481	1.313	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4ncc[nH]4)[C@@H]3C2)cc1	ZINC001084741069	916710700	/nfs/dbraw/zinc/71/07/00/916710700.db2.gz	MRBIWSDTCOJUOP-SJLPKXTDSA-N	1	0	365.437	1.587	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@H]2CC[N@H+](CCn3cccn3)C[C@H]21	ZINC001084765341	916944280	/nfs/dbraw/zinc/94/42/80/916944280.db2.gz	VSBDRNBFARCUDA-IAGOWNOFSA-N	1	0	367.453	1.689	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C[C@H]21)N1CCOCC1	ZINC001084872517	917860275	/nfs/dbraw/zinc/86/02/75/917860275.db2.gz	NVVCWSWKPJPWTA-PWIZWCRZSA-N	1	0	368.481	1.312	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)C4CC(F)(F)C4)C[C@@H]32)C1=O	ZINC001084917814	918274139	/nfs/dbraw/zinc/27/41/39/918274139.db2.gz	OTPQDCLLZUJLAB-BPUTZDHNSA-N	1	0	367.440	1.741	20	30		FDEDRO
Cn1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]32)cc1=O	ZINC001084924262	918340992	/nfs/dbraw/zinc/34/09/92/918340992.db2.gz	QGXSDCLFJSGWMN-QAPCUYQASA-N	1	0	365.437	1.322	20	30		FDEDRO
Cc1nccnc1C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]21	ZINC001084921632	918363189	/nfs/dbraw/zinc/36/31/89/918363189.db2.gz	LBHURXBAGJEUJV-KDOFPFPSSA-N	1	0	350.426	1.721	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(=O)[nH]c4ncn(C)c43)C[C@@H]21	ZINC001084956177	918794419	/nfs/dbraw/zinc/79/44/19/918794419.db2.gz	YLCAYZZXMMOASC-HIFRSBDPSA-N	1	0	353.426	1.234	20	30		FDEDRO
C[NH+](C)CCCNC(=S)NN=C1C(=O)Nc2c1cccc2C(F)(F)F	ZINC000731928524	918844740	/nfs/dbraw/zinc/84/47/40/918844740.db2.gz	KNMJBRAFVYKDKK-UHFFFAOYSA-N	1	0	373.404	1.777	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(NC(=O)Cc2ccc(OCC#N)cc2)CC1	ZINC000732103306	919017237	/nfs/dbraw/zinc/01/72/37/919017237.db2.gz	BSVUMOFNHTWVNB-UHFFFAOYSA-N	1	0	372.469	1.190	20	30		FDEDRO
O=C([C@H]1CCC(=O)NC1)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001084978251	919059479	/nfs/dbraw/zinc/05/94/79/919059479.db2.gz	FJQQQVWJSNZBQH-AABGKKOBSA-N	1	0	365.477	1.487	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(=O)n(CCOC)c3)C[C@@H]21	ZINC001084979934	919133636	/nfs/dbraw/zinc/13/36/36/919133636.db2.gz	HSDYKBWHHIXVHH-AEFFLSMTSA-N	1	0	357.454	1.054	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3OCC(N)=O)C[C@@H]21	ZINC001084984731	919175688	/nfs/dbraw/zinc/17/56/88/919175688.db2.gz	SBXZPEPBTUFPBM-WBVHZDCISA-N	1	0	355.438	1.110	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(CNC(C)=O)cc3)C[C@@H]21	ZINC001084983189	919191492	/nfs/dbraw/zinc/19/14/92/919191492.db2.gz	SAKACCIOVPBQPP-QUCCMNQESA-N	1	0	353.466	1.882	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)C[C@@H]21	ZINC001084996049	919346423	/nfs/dbraw/zinc/34/64/23/919346423.db2.gz	ODPHGRVBPUMROS-PVAVHDDUSA-N	1	0	357.458	1.255	20	30		FDEDRO
C[C@@]1(C(=O)N2CC[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)[C@H]3C2)CNC(=O)C1	ZINC001084996172	919347840	/nfs/dbraw/zinc/34/78/40/919347840.db2.gz	UKLQGBDFKDXCIU-LQWHRVPQSA-N	1	0	366.465	1.507	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn(C)nc3[C@@H]3CCOC3)C[C@@H]21	ZINC001084999557	919411055	/nfs/dbraw/zinc/41/10/55/919411055.db2.gz	HEKTXAARBZLDAH-NUJGCVRESA-N	1	0	356.470	1.484	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(CCC(N)=O)cc3)C[C@@H]21	ZINC001085028138	919817084	/nfs/dbraw/zinc/81/70/84/919817084.db2.gz	OKSMQALTZLMZRM-MJGOQNOKSA-N	1	0	353.466	1.664	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cn(C)nc3C(F)(F)F)C[C@@H]21	ZINC001085044102	920005424	/nfs/dbraw/zinc/00/54/24/920005424.db2.gz	AVNQDBRBIDVALU-OCCSQVGLSA-N	1	0	354.376	1.999	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCS(=O)(=O)C3)C[C@@H]21	ZINC001085047986	920051045	/nfs/dbraw/zinc/05/10/45/920051045.db2.gz	ZHWVUXJNEGDNLJ-IKGGRYGDSA-N	1	0	354.516	1.700	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4ocnc4C)[C@H]3C2)nn1	ZINC001085053103	920124391	/nfs/dbraw/zinc/12/43/91/920124391.db2.gz	CZKQZEMVDZIJSZ-WBVHZDCISA-N	1	0	370.457	1.887	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3(S(C)(=O)=O)CCC3)C[C@@H]21	ZINC001085066128	920331642	/nfs/dbraw/zinc/33/16/42/920331642.db2.gz	JCGHKOKXBZHGMT-CVEARBPZSA-N	1	0	354.516	1.843	20	30		FDEDRO
O=C([C@@H]1CCC(=O)N1)N1CC[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)[C@H]2C1	ZINC001085078635	920545136	/nfs/dbraw/zinc/54/51/36/920545136.db2.gz	DECLEXRKNBJBHJ-NEWSRXKRSA-N	1	0	369.440	1.379	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N(C)C4CC4)[C@H]3C2)nc1	ZINC001085076806	920570743	/nfs/dbraw/zinc/57/07/43/920570743.db2.gz	AEVZWVLKAWBAKE-APWZRJJASA-N	1	0	366.465	1.220	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3c(=O)oc4ccccc43)C[C@@H]21	ZINC001085090737	920826855	/nfs/dbraw/zinc/82/68/55/920826855.db2.gz	CAUFNOYSFZDINJ-WBVHZDCISA-N	1	0	353.422	1.541	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)COc3ccc(C(N)=O)cc3)C[C@@H]21	ZINC001085096142	920882310	/nfs/dbraw/zinc/88/23/10/920882310.db2.gz	IIUMOBUWPLBZCT-QAPCUYQASA-N	1	0	357.454	1.663	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000733333748	920988731	/nfs/dbraw/zinc/98/87/31/920988731.db2.gz	UMQOASJMRQIREL-ZGTROFRASA-N	1	0	364.446	1.502	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCc3ncnn32)c1	ZINC001085162047	921903924	/nfs/dbraw/zinc/90/39/24/921903924.db2.gz	BIYCOEYNXQFRFT-RRFJBIMHSA-N	1	0	353.430	1.296	20	30		FDEDRO
COc1ncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C#N)c[nH]2)c(C)n1	ZINC001085164055	921912958	/nfs/dbraw/zinc/91/29/58/921912958.db2.gz	NOTDMJHLBFQMQU-HZPDHXFCSA-N	1	0	368.441	1.824	20	30		FDEDRO
Cn1oc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)cc1=O	ZINC001085182947	922050459	/nfs/dbraw/zinc/05/04/59/922050459.db2.gz	ALYVRMYFFKJBJM-HZPDHXFCSA-N	1	0	354.410	1.681	20	30		FDEDRO
O=C(NCC[NH2+]Cc1ccc(Br)cn1)C1N=CC=CC1=O	ZINC000733798346	922066477	/nfs/dbraw/zinc/06/64/77/922066477.db2.gz	QNUZYQAHSFMPOX-YPKPFQOOSA-N	1	0	351.204	1.460	20	30		FDEDRO
Cn1cnc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(F)c(C#N)c2)n1	ZINC001085190448	922118728	/nfs/dbraw/zinc/11/87/28/922118728.db2.gz	AOQMCHABSRSKKE-HZPDHXFCSA-N	1	0	356.405	1.657	20	30		FDEDRO
C=CCCC(=O)N1CC[C@H](N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1	ZINC001065693440	922442169	/nfs/dbraw/zinc/44/21/69/922442169.db2.gz	CWXQJCCDJNVNSB-FGTMMUONSA-N	1	0	362.518	1.038	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3c2cnc(C#N)cn2)CC[N@@H+]1C	ZINC001065934600	922506647	/nfs/dbraw/zinc/50/66/47/922506647.db2.gz	NLUFFYMCOZYJPP-AGTSVGGPSA-N	1	0	368.485	1.552	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(c4ncccc4C#N)C[C@H]3C2)CC[N@@H+]1C	ZINC001066079725	922550696	/nfs/dbraw/zinc/55/06/96/922550696.db2.gz	LYFWZTPFYBIRGN-XWTMOSNGSA-N	1	0	353.470	1.578	20	30		FDEDRO
Cc1cc(C#N)nc(N2CC[C@H]3[C@@H]2CCCN3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1	ZINC001066201695	922620743	/nfs/dbraw/zinc/62/07/43/922620743.db2.gz	FVIJLKPCLUOYOU-BGTYHANMSA-N	1	0	368.485	1.567	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3c2ccc(C#N)nn2)CC[N@@H+]1C	ZINC001066201631	922620885	/nfs/dbraw/zinc/62/08/85/922620885.db2.gz	FFYGEWNHLQBKGP-MWQQHZPXSA-N	1	0	354.458	1.258	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3c2cncc(C#N)n2)CC[N@@H+]1C	ZINC001066202374	922622361	/nfs/dbraw/zinc/62/23/61/922622361.db2.gz	KQCDBDGEVRKOKA-MWQQHZPXSA-N	1	0	354.458	1.258	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)C2(F)CCOCC2)C1=O	ZINC001085220516	922883575	/nfs/dbraw/zinc/88/35/75/922883575.db2.gz	XSENRIBEOAGPSX-BZUAXINKSA-N	1	0	367.465	1.309	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(OC)n1	ZINC001085229645	922982252	/nfs/dbraw/zinc/98/22/52/922982252.db2.gz	CMJUCGIZNDUBKB-QRVBRYPASA-N	1	0	370.497	1.705	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1OC	ZINC001085229909	922983623	/nfs/dbraw/zinc/98/36/23/922983623.db2.gz	PYEOBCJBBWRGEW-QRVBRYPASA-N	1	0	370.497	1.705	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc2n(n1)CCC2	ZINC001085229974	922984525	/nfs/dbraw/zinc/98/45/25/922984525.db2.gz	UFDVKNSFXZERCX-AQNXPRMDSA-N	1	0	369.513	1.444	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(C)nc1	ZINC001085230003	922984972	/nfs/dbraw/zinc/98/49/72/922984972.db2.gz	WEOAWILSEQEXCM-QRVBRYPASA-N	1	0	355.486	1.400	20	30		FDEDRO
N#Cc1ccccc1/C=C\C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000734468203	923327922	/nfs/dbraw/zinc/32/79/22/923327922.db2.gz	OVAWWWMASPJPTG-SFFCAUCYSA-N	1	0	354.454	1.094	20	30		FDEDRO
C=CC[C@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccncc1	ZINC000734669627	923609280	/nfs/dbraw/zinc/60/92/80/923609280.db2.gz	YQBOFYHMCBTSSV-SFHVURJKSA-N	1	0	373.501	1.941	20	30		FDEDRO
Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2F)[nH]c1=O	ZINC001085320553	923849662	/nfs/dbraw/zinc/84/96/62/923849662.db2.gz	DOYNXRAIXOXPKV-HZPDHXFCSA-N	1	0	371.416	1.967	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccn(C)c2C)C1=O	ZINC001085323710	923859750	/nfs/dbraw/zinc/85/97/50/923859750.db2.gz	VUSKBTWPJPWTPG-KZNAEPCWSA-N	1	0	358.486	1.751	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc(C)[nH]2)nn1	ZINC001085358759	924172996	/nfs/dbraw/zinc/17/29/96/924172996.db2.gz	RGEBSXQNILTVTE-ZIAGYGMSSA-N	1	0	358.450	1.112	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CC(C)(C)CO2)nn1	ZINC001085356604	924178572	/nfs/dbraw/zinc/17/85/72/924178572.db2.gz	HBVWLNUAKOHNPL-ARFHVFGLSA-N	1	0	361.490	1.910	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[C@H]2CCC(=O)N2)c1	ZINC001085360798	924226419	/nfs/dbraw/zinc/22/64/19/924226419.db2.gz	BIKPEIFHBWDUOG-KZNAEPCWSA-N	1	0	354.454	1.744	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2nc[nH]n2)c(F)c1	ZINC001085388345	924386129	/nfs/dbraw/zinc/38/61/29/924386129.db2.gz	FSXMDIZRMAWRDH-HZPDHXFCSA-N	1	0	356.405	1.575	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cn(C)nn1	ZINC001085406371	924484726	/nfs/dbraw/zinc/48/47/26/924484726.db2.gz	BSCYWBIBBBNQKX-RTBURBONSA-N	1	0	351.454	1.556	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)CCNC(=O)C1N=CC=CC1=O)c1cccs1	ZINC000735836741	924591427	/nfs/dbraw/zinc/59/14/27/924591427.db2.gz	IAZGYKJUWBQSFC-ICDILTBESA-N	1	0	362.455	1.384	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)NC(=O)NCc2ccccc2)CC1	ZINC000735937966	924685411	/nfs/dbraw/zinc/68/54/11/924685411.db2.gz	QHOSBQKEIPTDJS-OAHLLOKOSA-N	1	0	371.437	1.289	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)NC(=O)NCc2ccccc2)CC1	ZINC000735937964	924685632	/nfs/dbraw/zinc/68/56/32/924685632.db2.gz	QHOSBQKEIPTDJS-HNNXBMFYSA-N	1	0	371.437	1.289	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2ccc(C(=O)OC)cc2)CC1	ZINC000735939243	924686557	/nfs/dbraw/zinc/68/65/57/924686557.db2.gz	AYSHDEBJIBGHSN-UHFFFAOYSA-N	1	0	358.394	1.300	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCCCCN2C(=O)c3ccccc3C2=O)CC1	ZINC000735941252	924689001	/nfs/dbraw/zinc/68/90/01/924689001.db2.gz	ZTJSVPDINYCGFA-UHFFFAOYSA-N	1	0	368.433	1.951	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1	ZINC001085817922	925249291	/nfs/dbraw/zinc/24/92/91/925249291.db2.gz	LSIVTQJDPVEPKD-FGTMMUONSA-N	1	0	363.502	1.655	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCc1ccnn1C	ZINC001085864983	925345446	/nfs/dbraw/zinc/34/54/46/925345446.db2.gz	PMQRPTXFKZBIQS-QYZOEREBSA-N	1	0	360.502	1.867	20	30		FDEDRO
CC[N@@H+]1CCCN(CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1	ZINC000740877933	925481511	/nfs/dbraw/zinc/48/15/11/925481511.db2.gz	IGYWRQJGTMBMKT-HNNXBMFYSA-N	1	0	353.426	1.539	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)CC1	ZINC000741206040	925630124	/nfs/dbraw/zinc/63/01/24/925630124.db2.gz	VJERWTMZBOIZCG-NQIIRXRSSA-N	1	0	369.509	1.737	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2OCC[C@H]2C)C1	ZINC001086200546	926273322	/nfs/dbraw/zinc/27/33/22/926273322.db2.gz	GHDVXSDIHOMWEX-OVLVRJBISA-N	1	0	357.454	1.976	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nnc(C3CC3)n2C)C1	ZINC001086201676	926284246	/nfs/dbraw/zinc/28/42/46/926284246.db2.gz	LSRQUDHPAZYSDR-BVUBDWEXSA-N	1	0	359.474	1.268	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cnc3cc(OC)ccc3c2O)CC1	ZINC000743493063	926379151	/nfs/dbraw/zinc/37/91/51/926379151.db2.gz	GLOLYUDLZKPNNK-UHFFFAOYSA-N	1	0	353.422	1.754	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)CC1	ZINC001066540090	927397815	/nfs/dbraw/zinc/39/78/15/927397815.db2.gz	GAHBJAXAAJOVKG-KURKYZTESA-N	1	0	365.518	1.807	20	30		FDEDRO
COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3OCC[C@H]3C)C2)cc1C#N	ZINC001086481376	927521493	/nfs/dbraw/zinc/52/14/93/927521493.db2.gz	CZZQEXLVAFPCSH-VWMOJTHMSA-N	1	0	357.454	1.976	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)CC2([NH+]3CCOCC3)CCCC2)nc1	ZINC000746122219	927627019	/nfs/dbraw/zinc/62/70/19/927627019.db2.gz	RMJPPVOOWZIZTO-UHFFFAOYSA-N	1	0	357.458	1.516	20	30		FDEDRO
CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000746191774	927674335	/nfs/dbraw/zinc/67/43/35/927674335.db2.gz	XPUZTTMVBGTYFQ-AMGRQBIBSA-N	1	0	362.474	1.674	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2snnc2C)C1	ZINC001086503724	927711534	/nfs/dbraw/zinc/71/15/34/927711534.db2.gz	KIKRZHUKVLFXFF-YXWQFLTLSA-N	1	0	350.488	1.812	20	30		FDEDRO
N#CCn1cc(NC(=O)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cn1	ZINC000746353494	927900659	/nfs/dbraw/zinc/90/06/59/927900659.db2.gz	JBXQQONACSXJHA-UHFFFAOYSA-N	1	0	366.425	1.257	20	30		FDEDRO
C=CCN1CCC[C@H]([NH2+][C@H]2CCN(Cc3ccc(OC)cc3)C(=O)C2)C1=O	ZINC001168910229	928177575	/nfs/dbraw/zinc/17/75/75/928177575.db2.gz	UKHIYLKAZGQZQP-HKUYNNGSSA-N	1	0	371.481	1.953	20	30		FDEDRO
COC(=O)c1cn(C2CC[NH+](C[C@H](O)c3cccc(C#N)c3)CC2)nn1	ZINC001169090460	928275657	/nfs/dbraw/zinc/27/56/57/928275657.db2.gz	GTQAWDCTENWDGV-KRWDZBQOSA-N	1	0	355.398	1.307	20	30		FDEDRO
C#CC1CC[NH+]([C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1	ZINC001169213131	928345177	/nfs/dbraw/zinc/34/51/77/928345177.db2.gz	PEAJGCLSASGYTD-HNNXBMFYSA-N	1	0	371.485	1.338	20	30		FDEDRO
CC[NH+](CC)CCN(C(=O)c1coc(C#N)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000866988011	928365265	/nfs/dbraw/zinc/36/52/65/928365265.db2.gz	LORDGVLCSTVBGV-CQSZACIVSA-N	1	0	353.444	1.122	20	30		FDEDRO
CC[NH+]1CCC(NC(=NO)c2ccc(-n3cnc(C)c3)c(OC)n2)CC1	ZINC001169244145	928373132	/nfs/dbraw/zinc/37/31/32/928373132.db2.gz	DEFBEFUVMGFBQS-UHFFFAOYSA-N	1	0	358.446	1.794	20	30		FDEDRO
C#C[C@@H](C)N(C)CN1C(=O)N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O	ZINC000766664951	928463155	/nfs/dbraw/zinc/46/31/55/928463155.db2.gz	RNLNPPSMHPACEB-UZLBHIALSA-N	1	0	354.454	1.484	20	30		FDEDRO
Cc1ccc(C(=Nc2ccc(C(=O)NC3CC[NH+](C)CC3)nn2)NO)nc1	ZINC001169405787	928509419	/nfs/dbraw/zinc/50/94/19/928509419.db2.gz	YKYDPBRWGXOZGD-UHFFFAOYSA-N	1	0	369.429	1.061	20	30		FDEDRO
C=CCN1C(=O)CCC12CC[NH+]([C@H]1CC[C@H](C(=O)OCC)OC1)CC2	ZINC001169386207	928527177	/nfs/dbraw/zinc/52/71/77/928527177.db2.gz	LJKLMKUWDGNOCR-JKSUJKDBSA-N	1	0	350.459	1.740	20	30		FDEDRO
CC(=O)N1CCC[C@@H]([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1	ZINC001169589349	928761776	/nfs/dbraw/zinc/76/17/76/928761776.db2.gz	PJWMFHPGVJWCDD-LJQANCHMSA-N	1	0	354.454	1.763	20	30		FDEDRO
COc1ccc(C(=NO)Nc2ccc(OCC[NH+]3CCCC3)nn2)nc1	ZINC001169600147	928773550	/nfs/dbraw/zinc/77/35/50/928773550.db2.gz	PLOAMWINEFIYBQ-UHFFFAOYSA-N	1	0	358.402	1.603	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC23CCCC3)[C@@H](n2ccnn2)C1	ZINC001129370390	929360782	/nfs/dbraw/zinc/36/07/82/929360782.db2.gz	RIJJJUGVCUFYTQ-BBWFWOEESA-N	1	0	359.474	1.403	20	30		FDEDRO
N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C(N)=O)cc1	ZINC001108947335	929584402	/nfs/dbraw/zinc/58/44/02/929584402.db2.gz	ONEBXSTWPMBSDQ-PMPSAXMXSA-N	1	0	358.467	1.264	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cccn2)[C@@H](n2ccnn2)C1	ZINC001129375853	929626060	/nfs/dbraw/zinc/62/60/60/929626060.db2.gz	KQBBESJTRGPQRR-BBWFWOEESA-N	1	0	357.462	1.434	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3c(c1)ncn3C)C2	ZINC001109590064	929876961	/nfs/dbraw/zinc/87/69/61/929876961.db2.gz	QHRBFCPHIGPIHE-VYDXJSESSA-N	1	0	355.442	1.506	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COC1CCOCC1	ZINC001109605668	929929619	/nfs/dbraw/zinc/92/96/19/929929619.db2.gz	MGOPQCJWOFXFHC-FZCLSBEQSA-N	1	0	366.502	1.477	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000770275503	929940978	/nfs/dbraw/zinc/94/09/78/929940978.db2.gz	XDFMXDYXETXKJY-KRWDZBQOSA-N	1	0	370.453	1.565	20	30		FDEDRO
C#CCOc1ccc(C[N@@H+]2CCN(c3nccn4cnnc34)[C@@H](C)C2)cc1	ZINC000770279866	929942100	/nfs/dbraw/zinc/94/21/00/929942100.db2.gz	HZHVCNOQXDZYCZ-INIZCTEOSA-N	1	0	362.437	1.847	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+](C)C)C3)c1	ZINC001109674059	930115253	/nfs/dbraw/zinc/11/52/53/930115253.db2.gz	YZZSRZRETUPWHP-QYZOEREBSA-N	1	0	368.481	1.280	20	30		FDEDRO
COCCc1nc(C)c(C(C)=NNC(=S)NCCC[NH+](C)C)s1	ZINC000770605630	930151070	/nfs/dbraw/zinc/15/10/70/930151070.db2.gz	FPQJTIOFKAJBPZ-UHFFFAOYSA-N	1	0	357.549	1.780	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc3c1ncn3C)C2	ZINC001109709426	930183824	/nfs/dbraw/zinc/18/38/24/930183824.db2.gz	KMNHVNCUUSGGEJ-KBMXLJTQSA-N	1	0	355.442	1.506	20	30		FDEDRO
C#CCSCCNC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1	ZINC000771213612	930540339	/nfs/dbraw/zinc/54/03/39/930540339.db2.gz	QSCVPPDZHVAFNG-UHFFFAOYSA-N	1	0	352.548	1.553	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncc3ccccc31)C2	ZINC001109854909	930604683	/nfs/dbraw/zinc/60/46/83/930604683.db2.gz	FDROGJVVBHBJKQ-AOIWGVFYSA-N	1	0	354.454	1.960	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C)S(=O)(=O)CC)C2	ZINC001109915187	930725793	/nfs/dbraw/zinc/72/57/93/930725793.db2.gz	NKJDGGITNDGSJR-IKGGRYGDSA-N	1	0	371.547	1.736	20	30		FDEDRO
COCCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1	ZINC001109948663	930851555	/nfs/dbraw/zinc/85/15/55/930851555.db2.gz	WTGTXXMDEPYJHR-QYZOEREBSA-N	1	0	357.454	1.833	20	30		FDEDRO
COC(=O)C1=NOC2(C1)CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2	ZINC000771778840	930879696	/nfs/dbraw/zinc/87/96/96/930879696.db2.gz	IWPBQYUIQOVHCA-GUYCJALGSA-N	1	0	364.446	1.213	20	30		FDEDRO
C=C(Br)CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000771764756	930901183	/nfs/dbraw/zinc/90/11/83/930901183.db2.gz	CUERYXSQORHETM-CQSZACIVSA-N	1	0	359.312	1.705	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC(=O)NCCC)C2	ZINC001109999488	931002053	/nfs/dbraw/zinc/00/20/53/931002053.db2.gz	HFIMWMSKNCJRTR-IKGGRYGDSA-N	1	0	351.491	1.607	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCOC	ZINC001109996673	931015619	/nfs/dbraw/zinc/01/56/19/931015619.db2.gz	MKEWRWODLYNXFW-NJAFHUGGSA-N	1	0	357.454	1.855	20	30		FDEDRO
Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)c(C#N)cn1	ZINC001090433049	931080016	/nfs/dbraw/zinc/08/00/16/931080016.db2.gz	OCBRZKJAURQZPI-BHIYHBOVSA-N	1	0	371.485	1.048	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1	ZINC000772388980	931257830	/nfs/dbraw/zinc/25/78/30/931257830.db2.gz	OVCMJAVILSWPSP-UHFFFAOYSA-N	1	0	373.413	1.149	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)c1cccc(C)c1)C2	ZINC001110059264	931307502	/nfs/dbraw/zinc/30/75/02/931307502.db2.gz	RZUJPHDDDLYYLN-QYZOEREBSA-N	1	0	371.481	1.649	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccccc1)C2	ZINC001110067909	931373812	/nfs/dbraw/zinc/37/38/12/931373812.db2.gz	NMPAAPOOCFUGCA-YSHGAJCASA-N	1	0	371.481	1.729	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cc1	ZINC000772601440	931396229	/nfs/dbraw/zinc/39/62/29/931396229.db2.gz	RGIIOXSJFVVQJW-GDBMZVCRSA-N	1	0	351.472	1.739	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1csc(-c3nc[nH]n3)n1)C2	ZINC001112544660	931420250	/nfs/dbraw/zinc/42/02/50/931420250.db2.gz	PWTUFEVKKFBXKJ-SJCJKPOMSA-N	1	0	356.455	1.393	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)CC1CCCC1)C2	ZINC001112545853	931433977	/nfs/dbraw/zinc/43/39/77/931433977.db2.gz	HWGJKMGATQRENF-RXVVDRJESA-N	1	0	359.514	1.925	20	30		FDEDRO
CCOC(=O)C(C)N=Nc1cc(NC[C@@H]2COCC[NH2+]2)ccc1[N+](=O)[O-]	ZINC001170047588	931450660	/nfs/dbraw/zinc/45/06/60/931450660.db2.gz	OTIFAMYZJONGRO-LPXFMOJISA-N	1	0	365.390	1.346	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)NCc1ccc(C[NH+](CC)CC)cc1)[C@H]1CCCO1	ZINC000785558953	931453199	/nfs/dbraw/zinc/45/31/99/931453199.db2.gz	ATIUPGUSKMIFJY-RTBURBONSA-N	1	0	371.481	1.442	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1cnccn1)C2	ZINC001112557325	931545873	/nfs/dbraw/zinc/54/58/73/931545873.db2.gz	AENKMMZUOQSYEL-PXNSSMCTSA-N	1	0	356.470	1.277	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCc1nc(CC)no1)C2	ZINC001112560731	931566191	/nfs/dbraw/zinc/56/61/91/931566191.db2.gz	MPAJUOZHHSTJJF-KXBFYZLASA-N	1	0	360.458	1.390	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCn1cncn1)C2	ZINC001112558558	931578992	/nfs/dbraw/zinc/57/89/92/931578992.db2.gz	MWCAIIWAUCIAHC-HKUYNNGSSA-N	1	0	361.490	1.479	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H](C)n1cccn1)C2	ZINC001112558954	931582483	/nfs/dbraw/zinc/58/24/83/931582483.db2.gz	FCFXHWLWKCINHF-BJLQDIEVSA-N	1	0	358.486	1.702	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccnc3nc(C)nn31)C2	ZINC001112562767	931595951	/nfs/dbraw/zinc/59/59/51/931595951.db2.gz	NGQGTWJTHCUWSV-KXBFYZLASA-N	1	0	354.458	1.841	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(CC)on1)C2	ZINC001112565202	931610803	/nfs/dbraw/zinc/61/08/03/931610803.db2.gz	OXESDWWAMGOIGN-LIRRHRJNSA-N	1	0	360.458	1.371	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCOCCOC)C2)cn1	ZINC001112566046	931617577	/nfs/dbraw/zinc/61/75/77/931617577.db2.gz	HEBGKWVFZJPFLO-RXVVDRJESA-N	1	0	371.481	1.558	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)C(=O)NC)C1	ZINC001112569784	931663224	/nfs/dbraw/zinc/66/32/24/931663224.db2.gz	OSMPEMAFDXKMPQ-BPXKWBHBSA-N	1	0	367.493	1.563	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1C(=O)CNC1=O)C2	ZINC001112575172	931700535	/nfs/dbraw/zinc/70/05/35/931700535.db2.gz	WCFUGXAGLYERTA-DOXZYTNZSA-N	1	0	362.474	1.111	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(CNC(N)=O)cc1)C2	ZINC001112575931	931707328	/nfs/dbraw/zinc/70/73/28/931707328.db2.gz	KWRAFKKOCNZLGX-RXVVDRJESA-N	1	0	368.481	1.710	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)c1ccccc1F)C2	ZINC001112578332	931734252	/nfs/dbraw/zinc/73/42/52/931734252.db2.gz	JYWUWQHFMFVODM-KKSFZXQISA-N	1	0	371.456	1.797	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3nnc(C)n3C1)C2	ZINC001112583683	931757101	/nfs/dbraw/zinc/75/71/01/931757101.db2.gz	FIATZHJAKNNVMD-UWVAXJGDSA-N	1	0	357.502	1.943	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1[C@H]3[C@@H]1[C@@H]1CC[C@H]3C1)C2	ZINC001112588377	931793699	/nfs/dbraw/zinc/79/36/99/931793699.db2.gz	UTEXMOMCJHBVSW-ICNFQQOGSA-N	1	0	371.525	1.799	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCOC)C1	ZINC001112589458	931806968	/nfs/dbraw/zinc/80/69/68/931806968.db2.gz	AIIGWHZVCHFGTM-AOIWGVFYSA-N	1	0	354.491	1.459	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc(C(N)=O)n1)C2	ZINC001112587679	931812195	/nfs/dbraw/zinc/81/21/95/931812195.db2.gz	KRYZJUCCLUGNKB-YWZLYKJASA-N	1	0	356.470	1.979	20	30		FDEDRO
C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CC[C@@](F)(C#N)C3)cc2)CC1	ZINC000786438879	931917107	/nfs/dbraw/zinc/91/71/07/931917107.db2.gz	FBGKEGFTGJBQGY-LJQANCHMSA-N	1	0	373.432	1.231	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCCCCC1)[C@@H]1CCCO1	ZINC000786629603	931979553	/nfs/dbraw/zinc/97/95/53/931979553.db2.gz	SQIJJSJEZYQXPL-BZSNNMDCSA-N	1	0	363.502	1.300	20	30		FDEDRO
CCN(CCC[NH+](C)C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N	ZINC000786812408	932048078	/nfs/dbraw/zinc/04/80/78/932048078.db2.gz	HOMJDMBKRHFQAY-GJZGRUSLSA-N	1	0	367.494	1.729	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CC[N@@H+]1CCc2ccccc2C1	ZINC000786822370	932053535	/nfs/dbraw/zinc/05/35/35/932053535.db2.gz	XMDJOTXEJKVBEL-AWEZNQCLSA-N	1	0	359.426	1.378	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCN1C(=O)CNC1=O)C2	ZINC001110082198	932137715	/nfs/dbraw/zinc/13/77/15/932137715.db2.gz	BCUXXYRWXVMAEJ-WCVJEAGWSA-N	1	0	362.474	1.395	20	30		FDEDRO
C[NH+](C)CCc1ccc(CNC(=O)CCNC(=O)C2N=CC=CC2=O)cc1	ZINC000787338032	932268123	/nfs/dbraw/zinc/26/81/23/932268123.db2.gz	XIWQLDBPKTZGAC-VXPUYCOJSA-N	1	0	370.453	1.323	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1)[C@H]1CCCO1	ZINC000787614168	932338052	/nfs/dbraw/zinc/33/80/52/932338052.db2.gz	CXTWAJROBRYPMY-RCCFBDPRSA-N	1	0	363.502	1.156	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=S)NC[C@@H]2CCC[N@H+]2CC)n1	ZINC000788331186	932646140	/nfs/dbraw/zinc/64/61/40/932646140.db2.gz	BEFYBRRCGYVUPN-KRWDZBQOSA-N	1	0	363.531	1.324	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)n1	ZINC000788593315	932748815	/nfs/dbraw/zinc/74/88/15/932748815.db2.gz	WQRLGOWXDSXIIK-KRWDZBQOSA-N	1	0	361.490	1.405	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2	ZINC000788766798	932801324	/nfs/dbraw/zinc/80/13/24/932801324.db2.gz	VASUQCXHMUUVKP-OAHLLOKOSA-N	1	0	364.490	1.937	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)n1	ZINC000788849192	932837567	/nfs/dbraw/zinc/83/75/67/932837567.db2.gz	FYEOXZSABHSMRG-GOSISDBHSA-N	1	0	361.490	1.405	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)n1	ZINC000788874672	932846039	/nfs/dbraw/zinc/84/60/39/932846039.db2.gz	LILVMPJUMWXNKP-ZWKOTPCHSA-N	1	0	359.474	1.301	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)n1	ZINC000789063845	932923533	/nfs/dbraw/zinc/92/35/33/932923533.db2.gz	KMBXWMSGNMQGLZ-FUHWJXTLSA-N	1	0	361.490	1.547	20	30		FDEDRO
CC(C)(C#N)CS(=O)(=O)N1CCC(CCC[NH+]2CCOCC2)CC1	ZINC000790048204	933342262	/nfs/dbraw/zinc/34/22/62/933342262.db2.gz	BDFMLODMUCKQMU-UHFFFAOYSA-N	1	0	357.520	1.690	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1	ZINC000790109894	933357991	/nfs/dbraw/zinc/35/79/91/933357991.db2.gz	GYPHBGVFFMRIKW-NRFANRHFSA-N	1	0	366.465	1.502	20	30		FDEDRO
C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2c2ccccc2)n1	ZINC001086588820	933623991	/nfs/dbraw/zinc/62/39/91/933623991.db2.gz	PVEWSVWHWWDCFE-PKOBYXMFSA-N	1	0	366.469	1.166	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@]2(C)CCNC(=O)C2)C1	ZINC001086594883	933869580	/nfs/dbraw/zinc/86/95/80/933869580.db2.gz	YYCAEIMYOOUGHD-UEXGIBASSA-N	1	0	353.466	1.510	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(C(N)=O)cn2C)C1	ZINC001086597582	933971548	/nfs/dbraw/zinc/97/15/48/933971548.db2.gz	MTIMODHMRGXFBM-ZWKOTPCHSA-N	1	0	366.465	1.898	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1C#N	ZINC000793739073	934259964	/nfs/dbraw/zinc/25/99/64/934259964.db2.gz	XXSFTYTYGKXLKQ-UHFFFAOYSA-N	1	0	372.469	1.562	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1nc3ncccn3n1)C2	ZINC001110101362	934266578	/nfs/dbraw/zinc/26/65/78/934266578.db2.gz	LXYRSNCHGQCQFO-WCVJEAGWSA-N	1	0	354.458	1.743	20	30		FDEDRO
CCOC(=O)CN(CC[NH3+])c1nc(/C=N/O)ccc1NC(=O)C(C)(C)C	ZINC001170992008	945072097	/nfs/dbraw/zinc/07/20/97/945072097.db2.gz	IDOUAYPNYZXMIM-VXLYETTFSA-N	1	0	365.434	1.203	20	30		FDEDRO
CCOC(=O)CN(CC[NH3+])c1cc(Br)ccc1OCC#N	ZINC001170994285	945108850	/nfs/dbraw/zinc/10/88/50/945108850.db2.gz	OEVZWOCMWADQIU-UHFFFAOYSA-N	1	0	356.220	1.680	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCc1cc(C#N)ccc1F	ZINC000793901638	938334503	/nfs/dbraw/zinc/33/45/03/938334503.db2.gz	NRNDGNQBLKNBBT-KGLIPLIRSA-N	1	0	360.433	1.550	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(F)cc2OCC#N)[C@@H](C)C1	ZINC000794235597	938374406	/nfs/dbraw/zinc/37/44/06/938374406.db2.gz	AKXHULCCWNXCEW-STQMWFEESA-N	1	0	350.394	1.647	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129417333	938409262	/nfs/dbraw/zinc/40/92/62/938409262.db2.gz	FLBQJVHJHXKBCV-QRQLOZEOSA-N	1	0	351.454	1.837	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c3ncccc23)[C@@H](n2ccnn2)C1	ZINC001129441676	938427122	/nfs/dbraw/zinc/42/71/22/938427122.db2.gz	YXOJJXAUTBGCNY-SJORKVTESA-N	1	0	365.441	1.776	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccc(OC)c(C#N)c1	ZINC000804418815	938427757	/nfs/dbraw/zinc/42/77/57/938427757.db2.gz	XCUBCAVHAILLOQ-MRXNPFEDSA-N	1	0	358.442	1.174	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001129476495	938432478	/nfs/dbraw/zinc/43/24/78/938432478.db2.gz	JRQXWVQOZVMORL-UHOSZYNNSA-N	1	0	369.469	1.974	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CCN(C(C)=O)CC2)C1	ZINC001086623084	938447879	/nfs/dbraw/zinc/44/78/79/938447879.db2.gz	JNJNMGFPZMAEQP-LEWJYISDSA-N	1	0	367.493	1.852	20	30		FDEDRO
N#CCSCC(=O)N1C[C@@H]([NH2+]CCCCCF)[C@@H](n2ccnn2)C1	ZINC001129603825	938462871	/nfs/dbraw/zinc/46/28/71/938462871.db2.gz	LPDKYYMRDABOLE-KGLIPLIRSA-N	1	0	354.455	1.016	20	30		FDEDRO
CC(C)C[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@@H]1n1ccnn1	ZINC001129603652	938462884	/nfs/dbraw/zinc/46/28/84/938462884.db2.gz	DHNLYEGJIKFJNB-OAGGEKHMSA-N	1	0	364.519	1.559	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cnsn2)C[C@@H]1n1ccnn1	ZINC001129613194	938476714	/nfs/dbraw/zinc/47/67/14/938476714.db2.gz	NXWHOCUFZRMVEI-CABCVRRESA-N	1	0	361.475	1.531	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]Cc2ccnc(OC)c2)[C@@H](n2ccnn2)C1	ZINC001129667175	938478756	/nfs/dbraw/zinc/47/87/56/938478756.db2.gz	QHBIAXCFLOORAJ-CVEARBPZSA-N	1	0	356.430	1.190	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]C[C@@H](O)c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129667464	938479044	/nfs/dbraw/zinc/47/90/44/938479044.db2.gz	WDOHSGKQZHMLNZ-FGTMMUONSA-N	1	0	355.442	1.319	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]CCO[C@H]2CC2(F)F)[C@@H](n2ccnn2)C1	ZINC001129671520	938479502	/nfs/dbraw/zinc/47/95/02/938479502.db2.gz	RAOAGZYGLIGTBL-RDBSUJKOSA-N	1	0	355.389	1.010	20	30		FDEDRO
CCCOCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H](n2ccnn2)C1	ZINC001129655748	938482747	/nfs/dbraw/zinc/48/27/47/938482747.db2.gz	FEJYNHFGQYZRFB-MSOLQXFVSA-N	1	0	368.441	1.118	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]([NH2+]CCc2ccc(C)cc2)[C@@H](n2ccnn2)C1	ZINC001129681797	938484315	/nfs/dbraw/zinc/48/43/15/938484315.db2.gz	ZRVLUNPWDCIKKW-MOPGFXCFSA-N	1	0	369.469	1.373	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]CCOc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129678136	938491181	/nfs/dbraw/zinc/49/11/81/938491181.db2.gz	WTDFMSYYJHUBDQ-MSOLQXFVSA-N	1	0	355.442	1.665	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H]([NH2+]Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129732877	938496287	/nfs/dbraw/zinc/49/62/87/938496287.db2.gz	JAJWLKZMJNGBOF-MOPGFXCFSA-N	1	0	369.469	1.803	20	30		FDEDRO
CC(C)CCC[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1n1ccnn1	ZINC001129736912	938497223	/nfs/dbraw/zinc/49/72/23/938497223.db2.gz	BFLKDLVXPRZCIW-SJORKVTESA-N	1	0	355.446	1.569	20	30		FDEDRO
CC(C)(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1n1ccnn1	ZINC001129737609	938497556	/nfs/dbraw/zinc/49/75/56/938497556.db2.gz	RCPDINGSOGATPA-CVEARBPZSA-N	1	0	355.446	1.569	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(OC)no2)C[C@@H]1n1ccnn1	ZINC001129756973	938501971	/nfs/dbraw/zinc/50/19/71/938501971.db2.gz	PFARNQZLVSJCOQ-MCIONIFRSA-N	1	0	360.418	1.285	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CN(CC)CCO2)C1	ZINC001086624981	938507800	/nfs/dbraw/zinc/50/78/00/938507800.db2.gz	DQJGQZROPZYINA-XUVXKRRUSA-N	1	0	355.482	1.315	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2sccc2F)C[C@@H]1n1ccnn1	ZINC001129807520	938518198	/nfs/dbraw/zinc/51/81/98/938518198.db2.gz	LCNCCOIVCONUKL-KGLIPLIRSA-N	1	0	365.434	1.337	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H]([NH2+]CCCC2CCOCC2)[C@@H](n2ccnn2)C1	ZINC001129816640	938520758	/nfs/dbraw/zinc/52/07/58/938520758.db2.gz	GMEADXJUBQFBEB-MOPGFXCFSA-N	1	0	371.485	1.240	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1C[C@@H]([NH2+]Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129822101	938521856	/nfs/dbraw/zinc/52/18/56/938521856.db2.gz	FOUVZDSXFJWNOB-MSOLQXFVSA-N	1	0	351.454	1.869	20	30		FDEDRO
Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@@H]2n2ccnn2)s1	ZINC001129822003	938521921	/nfs/dbraw/zinc/52/19/21/938521921.db2.gz	AHRZOBORIUOOKD-CVEARBPZSA-N	1	0	358.471	1.244	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCOC2)[C@@H](n2ccnn2)C1	ZINC001129822308	938522219	/nfs/dbraw/zinc/52/22/19/938522219.db2.gz	PGSZNIKLADYRNJ-BBWFWOEESA-N	1	0	359.474	1.096	20	30		FDEDRO
COc1cccc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@@H]2n2ccnn2)c1	ZINC001129824839	938522749	/nfs/dbraw/zinc/52/27/49/938522749.db2.gz	DHBQPPSWZMSGES-MOPGFXCFSA-N	1	0	367.453	1.488	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H]([NH2+]C/C=C\c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129825197	938523018	/nfs/dbraw/zinc/52/30/18/938523018.db2.gz	PUXNUGGASPVECD-WTGAGXSVSA-N	1	0	363.465	1.992	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)c2ccccc2OCC#N)(N2CCOCC2)CC1	ZINC001129848211	938526162	/nfs/dbraw/zinc/52/61/62/938526162.db2.gz	REEUAFFVOMRQNX-UHFFFAOYSA-N	1	0	372.469	1.115	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](OCC)C2=CCCC2)C[C@@H]1n1ccnn1	ZINC001129849927	938526650	/nfs/dbraw/zinc/52/66/50/938526650.db2.gz	CDZIEWMNVVPZTC-CEXWTWQISA-N	1	0	371.485	1.548	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccncc2)C[C@@H]1n1ccnn1	ZINC001129855034	938528265	/nfs/dbraw/zinc/52/82/65/938528265.db2.gz	FSHNPEQALDVPAW-MLHJIOFPSA-N	1	0	352.442	1.394	20	30		FDEDRO
CC1(C(=O)N2C[C@@H]([NH2+]CC#Cc3ccc(F)cc3)[C@@H](n3ccnn3)C2)CC1	ZINC001129857815	938529546	/nfs/dbraw/zinc/52/95/46/938529546.db2.gz	FUBYWCUEOBOJDC-MSOLQXFVSA-N	1	0	367.428	1.611	20	30		FDEDRO
CCn1nccc1[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1	ZINC001129859905	938530955	/nfs/dbraw/zinc/53/09/55/938530955.db2.gz	MWPLRBZMLNWESS-IEBWSBKVSA-N	1	0	367.453	1.758	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1)OCC	ZINC001129879172	938536539	/nfs/dbraw/zinc/53/65/39/938536539.db2.gz	VRTIDJLZTGRVGG-PMPSAXMXSA-N	1	0	353.442	1.351	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(=O)c3ccccc23)C1	ZINC001195205740	970766780	/nfs/dbraw/zinc/76/67/80/970766780.db2.gz	XJUCWYPXCZJIHE-MORSLUCNSA-N	1	0	356.422	1.923	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCOc2cccc(C)c2C)C[C@@H]1n1ccnn1	ZINC001129883947	938538504	/nfs/dbraw/zinc/53/85/04/938538504.db2.gz	ALFUIUOIAFWTKB-MSOLQXFVSA-N	1	0	369.469	1.892	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2(COC)CCCCC2)C[C@@H]1n1ccnn1	ZINC001129892364	938543248	/nfs/dbraw/zinc/54/32/48/938543248.db2.gz	TZVNVUWCMQVJMS-SJORKVTESA-N	1	0	359.474	1.240	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccnn2CC(C)C)C[C@@H]1n1ccnn1	ZINC001129876589	938547047	/nfs/dbraw/zinc/54/70/47/938547047.db2.gz	SXDGBVCTKSMJFY-AEFFLSMTSA-N	1	0	371.489	1.752	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2ccncn2)C[C@@H]1n1ccnn1	ZINC001129876750	938547199	/nfs/dbraw/zinc/54/71/99/938547199.db2.gz	XZCUOYCXKCGNSY-JQHSSLGASA-N	1	0	369.473	1.397	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H]([NH2+]CCOC)[C@@H](n3ccnn3)C2)cc1	ZINC001129912444	938551188	/nfs/dbraw/zinc/55/11/88/938551188.db2.gz	GPGBFQICZBOQQO-MSOLQXFVSA-N	1	0	371.441	1.145	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cc(C)ccn2)C[C@@H]1n1ccnn1	ZINC001129912769	938551772	/nfs/dbraw/zinc/55/17/72/938551772.db2.gz	ZXJHQVJYXVFJPD-SJORKVTESA-N	1	0	366.469	1.324	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc3[nH]c(C)nc3c2)C[C@@H]1n1ccnn1	ZINC001129894572	938555776	/nfs/dbraw/zinc/55/57/76/938555776.db2.gz	JXGYHRNKBBKOEA-CVEARBPZSA-N	1	0	366.429	1.089	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(C(N)=O)cn2)C1	ZINC001086626111	938558072	/nfs/dbraw/zinc/55/80/72/938558072.db2.gz	VFFRHSAOPZKHNX-PKOBYXMFSA-N	1	0	364.449	1.954	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(CC)[nH]c(=O)c2)C[C@@H]1n1ccnn1	ZINC001129936522	938563702	/nfs/dbraw/zinc/56/37/02/938563702.db2.gz	BYGUVYPVKJNVEW-CVEARBPZSA-N	1	0	356.430	1.173	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3ccncc3n2)C[C@@H]1n1ccnn1	ZINC001129941415	938566683	/nfs/dbraw/zinc/56/66/83/938566683.db2.gz	ZODQIIFWIBWENQ-MSOLQXFVSA-N	1	0	363.425	1.453	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3c2CCCC3)C[C@@H]1n1ccnn1	ZINC001129920890	938568154	/nfs/dbraw/zinc/56/81/54/938568154.db2.gz	DGRHYALUCPAYDW-SJORKVTESA-N	1	0	369.473	1.502	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3c2CCCC3)C[C@@H]1n1ccnn1	ZINC001129921260	938568555	/nfs/dbraw/zinc/56/85/55/938568555.db2.gz	YJOGUKDNFYRGKY-SJORKVTESA-N	1	0	369.473	1.502	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)nc2)C[C@@H]1n1ccnn1	ZINC001129923585	938569396	/nfs/dbraw/zinc/56/93/96/938569396.db2.gz	LFGYPCUJNRMICK-SJORKVTESA-N	1	0	369.473	1.361	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001129924762	938570309	/nfs/dbraw/zinc/57/03/09/938570309.db2.gz	ISYDJOOGFUZOIC-MSOLQXFVSA-N	1	0	357.433	1.968	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3ccccc3O2)C[C@@H]1n1ccnn1	ZINC001129927276	938571710	/nfs/dbraw/zinc/57/17/10/938571710.db2.gz	TVPFKYZOOIWFRC-ZIFCJYIRSA-N	1	0	367.453	1.590	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2nc(Cl)sc2C)C[C@@H]1n1ccnn1	ZINC001129928631	938571993	/nfs/dbraw/zinc/57/19/93/938571993.db2.gz	CGKFPMKIEZFAID-NEPJUHHUSA-N	1	0	364.862	1.375	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2noc3ccccc23)C[C@@H]1n1ccnn1	ZINC001129928741	938572227	/nfs/dbraw/zinc/57/22/27/938572227.db2.gz	JDLABQOYXSXHCI-SJORKVTESA-N	1	0	366.425	1.580	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccnc(OC)n2)C[C@@H]1n1ccnn1	ZINC001129928985	938572482	/nfs/dbraw/zinc/57/24/82/938572482.db2.gz	YEIWAGIMQSTXES-BMFZPTHFSA-N	1	0	371.445	1.087	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2([C@@H]3CCCCO3)CCC2)C[C@@H]1n1ccnn1	ZINC001129930501	938573035	/nfs/dbraw/zinc/57/30/35/938573035.db2.gz	JUMDOLCYRKVFAW-SQNIBIBYSA-N	1	0	371.485	1.382	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2OCCc3ccccc32)C[C@@H]1n1ccnn1	ZINC001129952081	938575246	/nfs/dbraw/zinc/57/52/46/938575246.db2.gz	HDLBACAGTBJTSK-CEXWTWQISA-N	1	0	367.453	1.510	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCOC2)[C@@H](n2ccnn2)C1	ZINC001129964089	938579449	/nfs/dbraw/zinc/57/94/49/938579449.db2.gz	WHZFCMWWFXVBFA-KSZLIROESA-N	1	0	359.474	1.240	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C)N2CCOCC2)C1	ZINC001086627533	938596869	/nfs/dbraw/zinc/59/68/69/938596869.db2.gz	NLFGOKWEQCHSSM-YSIASYRMSA-N	1	0	355.482	1.315	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cncc3sccc32)C[C@@H]1n1ccnn1	ZINC001129976217	938600666	/nfs/dbraw/zinc/60/06/66/938600666.db2.gz	IKPUCSCZSTZRIR-CVEARBPZSA-N	1	0	366.450	1.566	20	30		FDEDRO
CCC1(C(=O)N2C[C@@H]([NH2+]CC#Cc3ccccc3)[C@@H](n3ccnn3)C2)CC1	ZINC001129994502	938603237	/nfs/dbraw/zinc/60/32/37/938603237.db2.gz	RNCWGTFPFLAZPW-MOPGFXCFSA-N	1	0	363.465	1.862	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2conc2CC)C[C@@H]1n1ccnn1	ZINC001129995916	938604705	/nfs/dbraw/zinc/60/47/05/938604705.db2.gz	QFYBKGXAHXEGLZ-XKQJLSEDSA-N	1	0	358.446	1.839	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]([NH2+]CCCCCC)[C@@H](n3ccnn3)C2)c1	ZINC001129997156	938605343	/nfs/dbraw/zinc/60/53/43/938605343.db2.gz	AWEQAFZASWNOBC-MOPGFXCFSA-N	1	0	366.469	1.890	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]([NH2+]CCc2ccns2)[C@@H](n2ccnn2)C1	ZINC001129986927	938610016	/nfs/dbraw/zinc/61/00/16/938610016.db2.gz	RGKUHZVAJQNWEJ-CVEARBPZSA-N	1	0	360.487	1.675	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]([NH2+]CCO[C@H]2CC2(F)F)[C@@H](n2ccnn2)C1	ZINC001129987114	938610411	/nfs/dbraw/zinc/61/04/11/938610411.db2.gz	YVAIDRQRFDOIHK-ILXRZTDVSA-N	1	0	369.416	1.400	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)CC1	ZINC000804896599	938611835	/nfs/dbraw/zinc/61/18/35/938611835.db2.gz	RMWHNUBQUMEHCF-UHFFFAOYSA-N	1	0	370.453	1.340	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](c3nccn3C)C2)CC1	ZINC000804896737	938611896	/nfs/dbraw/zinc/61/18/96/938611896.db2.gz	WXNVOEDKLGFLEQ-INIZCTEOSA-N	1	0	373.501	1.283	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C[C@@H]1n1ccnn1	ZINC001130015251	938616668	/nfs/dbraw/zinc/61/66/68/938616668.db2.gz	OERRIDKIZNBGKQ-MLHJIOFPSA-N	1	0	369.473	1.123	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnoc2CC)C[C@@H]1n1ccnn1	ZINC001130023853	938617210	/nfs/dbraw/zinc/61/72/10/938617210.db2.gz	BEKGUASBRADPRK-IMJJTQAJSA-N	1	0	358.446	1.839	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130020364	938619255	/nfs/dbraw/zinc/61/92/55/938619255.db2.gz	CFUPJMSRQXCRGW-QRQLOZEOSA-N	1	0	367.453	1.248	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnc3ccccc3c2)C[C@@H]1n1ccnn1	ZINC001130020802	938619908	/nfs/dbraw/zinc/61/99/08/938619908.db2.gz	YAPJYSAKEANARL-MOPGFXCFSA-N	1	0	360.421	1.505	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCCn2ccnc2C)C[C@@H]1n1ccnn1	ZINC001130041053	938627462	/nfs/dbraw/zinc/62/74/62/938627462.db2.gz	ZPBSXYBDWDPOAN-MSOLQXFVSA-N	1	0	371.489	1.571	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCO[C@H]2C(=C)C)C[C@@H]1n1ccnn1	ZINC001130038013	938636118	/nfs/dbraw/zinc/63/61/18/938636118.db2.gz	HQGWHDYINKHZGU-MHORFTMASA-N	1	0	359.474	1.567	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2sc(CC)nc2C)C[C@@H]1n1ccnn1	ZINC001130038182	938636264	/nfs/dbraw/zinc/63/62/64/938636264.db2.gz	QMSXBPGYOFMPFR-KGLIPLIRSA-N	1	0	358.471	1.284	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccccc2COC)C[C@@H]1n1ccnn1	ZINC001130038291	938636312	/nfs/dbraw/zinc/63/63/12/938636312.db2.gz	WJBHMIIHAMYPRV-MOPGFXCFSA-N	1	0	367.453	1.032	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn(CC(C)C)c2)C[C@@H]1n1ccnn1	ZINC001130057075	938642069	/nfs/dbraw/zinc/64/20/69/938642069.db2.gz	HRUAOCIQNLSWSL-SJORKVTESA-N	1	0	357.462	1.362	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2ccccc2F)C[C@@H]1n1ccnn1	ZINC001130044093	938643275	/nfs/dbraw/zinc/64/32/75/938643275.db2.gz	PQUBNEZPJNAICX-LZQZEXGQSA-N	1	0	369.444	1.976	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCN(C)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130046696	938645990	/nfs/dbraw/zinc/64/59/90/938645990.db2.gz	OGYWQYRWPJEBTJ-MOPGFXCFSA-N	1	0	366.469	1.169	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnn(CC)c2C)C[C@@H]1n1ccnn1	ZINC001130049973	938648131	/nfs/dbraw/zinc/64/81/31/938648131.db2.gz	BUOLREWTZDOAJZ-SJORKVTESA-N	1	0	357.462	1.424	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cccc(OC)n2)C[C@@H]1n1ccnn1	ZINC001130066837	938655582	/nfs/dbraw/zinc/65/55/82/938655582.db2.gz	NAIARGAVUTWDDT-UAGQMJEPSA-N	1	0	370.457	1.692	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C)cc2=O)C[C@@H]1n1ccnn1	ZINC001130070883	938657998	/nfs/dbraw/zinc/65/79/98/938657998.db2.gz	KNZUGSLYHVRWMP-XKQJLSEDSA-N	1	0	370.457	1.285	20	30		FDEDRO
C#C[C@@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)c1ccc(Cl)cc1F	ZINC000805102616	938661868	/nfs/dbraw/zinc/66/18/68/938661868.db2.gz	PCSSFCQCEOIYMT-CZUORRHYSA-N	1	0	352.841	1.698	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)CC(C)C)C[C@@H]1n1ccnn1	ZINC001130081485	938662990	/nfs/dbraw/zinc/66/29/90/938662990.db2.gz	RFFWSIADDMVMEH-KURKYZTESA-N	1	0	361.490	1.342	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cccn2)C[C@@H]1n1ccnn1	ZINC001130077651	938670989	/nfs/dbraw/zinc/67/09/89/938670989.db2.gz	SXSRFVJGDMRQMU-BBWFWOEESA-N	1	0	357.462	1.434	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](OC)C(F)(F)F)C[C@@H]1n1ccnn1	ZINC001130077761	938671228	/nfs/dbraw/zinc/67/12/28/938671228.db2.gz	XYNSTAYFPSNZTB-FRRDWIJNSA-N	1	0	361.368	1.163	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C[C@H](OC)C(F)(F)F)C[C@@H]1n1ccnn1	ZINC001130077760	938671302	/nfs/dbraw/zinc/67/13/02/938671302.db2.gz	XYNSTAYFPSNZTB-AGIUHOORSA-N	1	0	361.368	1.163	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cnn(CC)c2)C[C@@H]1n1ccnn1	ZINC001130079327	938672138	/nfs/dbraw/zinc/67/21/38/938672138.db2.gz	FKAHKZMILHFYMV-NXHRZFHOSA-N	1	0	371.489	1.433	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@](C)(OC)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130088667	938674894	/nfs/dbraw/zinc/67/48/94/938674894.db2.gz	CUXLOCQMYCFUQS-HBFSDRIKSA-N	1	0	369.469	1.758	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130088677	938674911	/nfs/dbraw/zinc/67/49/11/938674911.db2.gz	DLBJHLXEBDGGOG-UHOSZYNNSA-N	1	0	367.453	1.073	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn3c2C[C@@H](C)CC3)C[C@@H]1n1ccnn1	ZINC001130107718	938687627	/nfs/dbraw/zinc/68/76/27/938687627.db2.gz	XNHLOMBKLWWFOW-LESCRADOSA-N	1	0	369.473	1.288	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2coc3ccc(F)cc32)C[C@@H]1n1ccnn1	ZINC001130111889	938690598	/nfs/dbraw/zinc/69/05/98/938690598.db2.gz	MDTPDOGFSHPYKN-SJORKVTESA-N	1	0	367.384	1.842	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCOc2ccccc2C)C[C@@H]1n1ccnn1	ZINC001130125424	938696308	/nfs/dbraw/zinc/69/63/08/938696308.db2.gz	NFLCMFYEGGJHBD-MSOLQXFVSA-N	1	0	369.469	1.973	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2nc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001130125416	938696313	/nfs/dbraw/zinc/69/63/13/938696313.db2.gz	MYFFJILFTQQRGQ-KSZLIROESA-N	1	0	369.473	1.108	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ncc3n2CCCC3)C[C@@H]1n1ccnn1	ZINC001130127671	938697594	/nfs/dbraw/zinc/69/75/94/938697594.db2.gz	DBUUJVHVHXZPQY-SJORKVTESA-N	1	0	369.473	1.432	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn3c(cccc3C)n2)C[C@@H]1n1ccnn1	ZINC001130119065	938701946	/nfs/dbraw/zinc/70/19/46/938701946.db2.gz	VBFXHTIEVKKQDO-WBVHZDCISA-N	1	0	365.441	1.466	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCCOCC)C[C@@H]1n1ccnn1	ZINC001130134043	938708792	/nfs/dbraw/zinc/70/87/92/938708792.db2.gz	PRVVLRWKPJXTMI-BBWFWOEESA-N	1	0	365.478	1.027	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)COCCOCC)C[C@@H]1n1ccnn1	ZINC001130140054	938712109	/nfs/dbraw/zinc/71/21/09/938712109.db2.gz	PTHDXQZBYHFPBO-ZACQAIPSSA-N	1	0	365.478	1.027	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2cccc(OCC)c2)C[C@@H]1n1ccnn1	ZINC001130143486	938714504	/nfs/dbraw/zinc/71/45/04/938714504.db2.gz	VYZDWQKIXKBZRY-MOPGFXCFSA-N	1	0	367.453	1.284	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2ccsc2)[C@@H](n2ccnn2)C1	ZINC001130151008	938715411	/nfs/dbraw/zinc/71/54/11/938715411.db2.gz	FTTPAPFLXAFORS-BMFZPTHFSA-N	1	0	361.471	1.472	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CCC2CCCC2)[C@@H](n2ccnn2)C1	ZINC001130151255	938715727	/nfs/dbraw/zinc/71/57/27/938715727.db2.gz	KZBUQBQWWKBJDW-NXHRZFHOSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CC/C=C\CCC)[C@@H](n2ccnn2)C1	ZINC001130151242	938715733	/nfs/dbraw/zinc/71/57/33/938715733.db2.gz	KQTOVRXCDBNDTM-NGQZUZBJSA-N	1	0	361.490	1.957	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccccc2N(C)C)C[C@@H]1n1ccnn1	ZINC001130155729	938718872	/nfs/dbraw/zinc/71/88/72/938718872.db2.gz	XXPJOQOWTIOYCN-MJGOQNOKSA-N	1	0	368.485	1.966	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccco2)[nH]1	ZINC001130177541	938724944	/nfs/dbraw/zinc/72/49/44/938724944.db2.gz	GRYWOMDUSMNVQL-ZFWWWQNUSA-N	1	0	359.430	1.756	20	30		FDEDRO
C=CCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]Cc2cccnc2)[nH]1	ZINC001130193343	938738256	/nfs/dbraw/zinc/73/82/56/938738256.db2.gz	TUCXBWHDOMMJSQ-HOTGVXAUSA-N	1	0	370.457	1.444	20	30		FDEDRO
C=CCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCOCC=C)[nH]1	ZINC001130193469	938738447	/nfs/dbraw/zinc/73/84/47/938738447.db2.gz	ZEZWVZQMYCGOBO-GJZGRUSLSA-N	1	0	363.462	1.052	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC2=CCCCC2)n1	ZINC001130195786	938738789	/nfs/dbraw/zinc/73/87/89/938738789.db2.gz	CECINAMUPRHESU-IRXDYDNUSA-N	1	0	371.485	1.797	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC(C)C)[nH]1	ZINC001130182766	938741713	/nfs/dbraw/zinc/74/17/13/938741713.db2.gz	ANSRAVBCFIEPDM-GJZGRUSLSA-N	1	0	365.478	1.132	20	30		FDEDRO
C[C@H](C#N)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCCCF)[nH]1	ZINC001130203234	938744871	/nfs/dbraw/zinc/74/48/71/938744871.db2.gz	URCZVRYECMGNFQ-RDBSUJKOSA-N	1	0	366.441	1.182	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2=CCCCCC2)n1	ZINC001130204655	938745389	/nfs/dbraw/zinc/74/53/89/938745389.db2.gz	BTNFPQTZLQREKT-IRXDYDNUSA-N	1	0	371.485	1.797	20	30		FDEDRO
CC(C)C#CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C/C=C\Cl)[nH]1	ZINC001130210074	938747876	/nfs/dbraw/zinc/74/78/76/938747876.db2.gz	VGRWQZWKMGALHQ-ALKAVYSUSA-N	1	0	365.865	1.295	20	30		FDEDRO
CC(C)C#CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC[C@H](C)F)[nH]1	ZINC001130212863	938749933	/nfs/dbraw/zinc/74/99/33/938749933.db2.gz	HWHLMWXYTHRELJ-KKUMJFAQSA-N	1	0	365.453	1.291	20	30		FDEDRO
CC[C@@H](F)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C#CC(C)C)[nH]1	ZINC001130213061	938750037	/nfs/dbraw/zinc/75/00/37/938750037.db2.gz	RPGGHUVNXMWNHO-ILXRZTDVSA-N	1	0	365.453	1.291	20	30		FDEDRO
C#CCC1(C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CCF)[nH]2)CCC1	ZINC001130216110	938752392	/nfs/dbraw/zinc/75/23/92/938752392.db2.gz	MSJMFTKFRLKLFC-KBPBESRZSA-N	1	0	363.437	1.046	20	30		FDEDRO
C=C(C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC[C@@H](C)F)[nH]1	ZINC001130216359	938752709	/nfs/dbraw/zinc/75/27/09/938752709.db2.gz	UQRLHYLXBZQFBQ-ILXRZTDVSA-N	1	0	367.469	1.987	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc3occc3[nH]2)[nH]1	ZINC001130216370	938752738	/nfs/dbraw/zinc/75/27/38/938752738.db2.gz	UYSIIXIPYPGRIF-NHYWBVRUSA-N	1	0	370.413	1.457	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C)c(C)o2)n1	ZINC001130200567	938754592	/nfs/dbraw/zinc/75/45/92/938754592.db2.gz	QNFXSPNIIURLQV-HOCLYGCPSA-N	1	0	371.441	1.430	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(F)CCCC2)[nH]1	ZINC001130221107	938756633	/nfs/dbraw/zinc/75/66/33/938756633.db2.gz	VDLLMLCIRQQKPD-KBPBESRZSA-N	1	0	363.437	1.189	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@]23C[C@H]2CCC3)[nH]1	ZINC001130227612	938761259	/nfs/dbraw/zinc/76/12/59/938761259.db2.gz	GXBYHKLNLROQMC-MMMWYMCRSA-N	1	0	357.458	1.097	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)CC(=C)C)[nH]1	ZINC001130232370	938765055	/nfs/dbraw/zinc/76/50/55/938765055.db2.gz	FKEREPXZAXWFND-PMPSAXMXSA-N	1	0	359.474	1.509	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C)CC(=C)C2)[nH]1	ZINC001130235180	938766597	/nfs/dbraw/zinc/76/65/97/938766597.db2.gz	WZKWQCOXIGYPTK-GJZGRUSLSA-N	1	0	359.474	1.815	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C)CC(F)(F)C2)[nH]1	ZINC001130249249	938773529	/nfs/dbraw/zinc/77/35/29/938773529.db2.gz	SCISKMACVXCCJZ-RYUDHWBXSA-N	1	0	369.416	1.504	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H](C)C2CC2)[nH]1	ZINC001130251235	938774667	/nfs/dbraw/zinc/77/46/67/938774667.db2.gz	JIIUKZLLFPWDMS-KBMXLJTQSA-N	1	0	359.474	1.343	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCOC(C)C)[nH]1	ZINC001130253744	938775482	/nfs/dbraw/zinc/77/54/82/938775482.db2.gz	NPTPZORLMGUGBN-GJZGRUSLSA-N	1	0	365.478	1.274	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CSCCC)CC1	ZINC001130274484	938786771	/nfs/dbraw/zinc/78/67/71/938786771.db2.gz	QIUMUVMAJTVMJD-APWZRJJASA-N	1	0	365.543	1.628	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)OCCCC)CC1	ZINC001130276946	938788309	/nfs/dbraw/zinc/78/83/09/938788309.db2.gz	VXOIDDWEHIYZMR-WDYCEAGBSA-N	1	0	365.518	1.853	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COC(C)(C)C)CC1	ZINC001130286105	938790841	/nfs/dbraw/zinc/79/08/41/938790841.db2.gz	XPCPDQLHBUODRR-APWZRJJASA-N	1	0	363.502	1.300	20	30		FDEDRO
C=C(C)CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC(C)(C)O)CC1	ZINC001130288015	938792586	/nfs/dbraw/zinc/79/25/86/938792586.db2.gz	HRNUALHSKYMREK-APWZRJJASA-N	1	0	365.518	1.589	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C/C=C\Cl)CC1	ZINC001130290995	938795610	/nfs/dbraw/zinc/79/56/10/938795610.db2.gz	TVCLGOBYZBXDIY-PGAMUHJASA-N	1	0	365.905	1.874	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCO)CC1	ZINC001130298938	938799245	/nfs/dbraw/zinc/79/92/45/938799245.db2.gz	NMJFWFBKUGWFLY-MDYRTPRTSA-N	1	0	365.518	1.447	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@H](C)COC)CC1	ZINC001130305363	938803590	/nfs/dbraw/zinc/80/35/90/938803590.db2.gz	WATMTVMIUWZRTQ-VPWXQRGCSA-N	1	0	363.502	1.158	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)CCCOC)CC1	ZINC001130307090	938804826	/nfs/dbraw/zinc/80/48/26/938804826.db2.gz	JCUNNHIPLNOOML-SUMDDJOVSA-N	1	0	363.502	1.158	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@H](C)n2cccc2)CC1	ZINC001130307648	938805347	/nfs/dbraw/zinc/80/53/47/938805347.db2.gz	WWPHQAWOKAHEQL-CDXJDZJCSA-N	1	0	370.497	1.548	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1)c1ccncc1	ZINC000805810613	938830820	/nfs/dbraw/zinc/83/08/20/938830820.db2.gz	JCWSVEHDFBXVBZ-GOSISDBHSA-N	1	0	370.453	1.998	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccncc1	ZINC000805810836	938831214	/nfs/dbraw/zinc/83/12/14/938831214.db2.gz	JAJMRBKHVJWUPN-FUHWJXTLSA-N	1	0	356.470	1.759	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C3=COCCO3)C2)c(F)c1	ZINC001086635384	938840728	/nfs/dbraw/zinc/84/07/28/938840728.db2.gz	MARKJZSLYXNGIN-GOEBONIOSA-N	1	0	359.401	1.960	20	30		FDEDRO
C=CCOCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CC[C@@H](C)O2)C1	ZINC001130422912	938843807	/nfs/dbraw/zinc/84/38/07/938843807.db2.gz	CUWRUGNTELMJPR-BFYDXBDKSA-N	1	0	362.474	1.585	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cnc(C)cn3)C2)C1=O	ZINC001086636886	938855256	/nfs/dbraw/zinc/85/52/56/938855256.db2.gz	GUAIDKZZGUSFBU-XHSDSOJGSA-N	1	0	357.458	1.060	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(F)c2)C[C@H]1c1cn(C)cn1	ZINC001130488376	938880411	/nfs/dbraw/zinc/88/04/11/938880411.db2.gz	UDPMRUQONADMAM-PKOBYXMFSA-N	1	0	370.428	1.407	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2C=CCC2)C[C@H]1c1cn(C)cn1	ZINC001130488604	938880712	/nfs/dbraw/zinc/88/07/12/938880712.db2.gz	ZNXRINJNYDTAPW-JENIJYKNSA-N	1	0	356.470	1.310	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCn2cccn2)C[C@H]1c1cn(C)cn1	ZINC001130500475	938884005	/nfs/dbraw/zinc/88/40/05/938884005.db2.gz	KJFIAZZQBQKARQ-JENIJYKNSA-N	1	0	370.501	1.946	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CNC(=O)OC)C[C@H]1c1cn(C)cn1	ZINC001130513310	938892767	/nfs/dbraw/zinc/89/27/67/938892767.db2.gz	USRQHZPIDRUEDX-OFQRWUPVSA-N	1	0	363.462	1.015	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@H](C)c2cnccn2)C1	ZINC001130583676	939883777	/nfs/dbraw/zinc/88/37/77/939883777.db2.gz	LSEDAJQQDWGOOE-JTDSTZFVSA-N	1	0	366.469	1.515	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130583628	939884085	/nfs/dbraw/zinc/88/40/85/939884085.db2.gz	JPMIUMVXUQDFGW-FUHWJXTLSA-N	1	0	356.474	1.247	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(OC)ncn2)C[C@H]1c1cn(C)cn1	ZINC001130596825	939903588	/nfs/dbraw/zinc/90/35/88/939903588.db2.gz	RSBVUNYREUIIMZ-WMLDXEAASA-N	1	0	370.457	1.383	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc3[nH]cnc3c2)C[C@H]1c1cn(C)cn1	ZINC001130601187	939905393	/nfs/dbraw/zinc/90/53/93/939905393.db2.gz	XRFWGINTEWPVHH-WMLDXEAASA-N	1	0	365.441	1.465	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cncc(Cl)c2C)C[C@H]1c1cn(C)cn1	ZINC001130612046	939909632	/nfs/dbraw/zinc/90/96/32/939909632.db2.gz	OMOUESAPIMSDTI-MAUKXSAKSA-N	1	0	371.872	1.998	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C2CCC2)C[C@H]1c1cn(C)cn1	ZINC001130614920	939912368	/nfs/dbraw/zinc/91/23/68/939912368.db2.gz	HOOBZHJLCYDJRZ-VDZJLULYSA-N	1	0	360.502	1.943	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn(C(C)(C)C)nn2)C[C@H]1c1cn(C)cn1	ZINC001130604749	939916118	/nfs/dbraw/zinc/91/61/18/939916118.db2.gz	LYJGEEBMAWXVGQ-GOEBONIOSA-N	1	0	371.489	1.541	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2[nH]ccc2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130605030	939916415	/nfs/dbraw/zinc/91/64/15/939916415.db2.gz	VXDGYQZAIQTRGS-FUHWJXTLSA-N	1	0	351.454	1.847	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1c1cn(C)cn1	ZINC001130605153	939916727	/nfs/dbraw/zinc/91/67/27/939916727.db2.gz	WLCAHOGSTGAOFQ-GOEBONIOSA-N	1	0	350.438	1.399	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3nccn32)C[C@H]1c1cn(C)cn1	ZINC001130608005	939920048	/nfs/dbraw/zinc/92/00/48/939920048.db2.gz	WIOVLPBTNMUVBD-JQHSSLGASA-N	1	0	366.469	1.102	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@H]1c1cn(C)cn1	ZINC001130630055	939934544	/nfs/dbraw/zinc/93/45/44/939934544.db2.gz	CRLHRVYZAJRIGW-BEIYGRMHSA-N	1	0	358.486	1.695	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc3cn[nH]c32)C[C@H]1c1cn(C)cn1	ZINC001130637649	939939450	/nfs/dbraw/zinc/93/94/50/939939450.db2.gz	DYRPLTAHIAUYKB-FUHWJXTLSA-N	1	0	362.437	1.518	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(CCC)n[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130637973	939940268	/nfs/dbraw/zinc/94/02/68/939940268.db2.gz	UWDNXFILTKREQS-MAUKXSAKSA-N	1	0	354.458	1.317	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(c3cccnc3)CC2)C[C@H]1c1cn(C)cn1	ZINC001130652504	939946882	/nfs/dbraw/zinc/94/68/82/939946882.db2.gz	XYDRJSSJKAHVCU-PKOBYXMFSA-N	1	0	363.465	1.454	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3ccc(F)cc32)C[C@H]1c1cn(C)cn1	ZINC001130654422	939948186	/nfs/dbraw/zinc/94/81/86/939948186.db2.gz	IZFBJHDPEZOUTE-CMKODMSKSA-N	1	0	366.440	1.806	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnc(C)nc2)C1	ZINC001130663995	939957009	/nfs/dbraw/zinc/95/70/09/939957009.db2.gz	ANOJTMDGHPRURE-PKOBYXMFSA-N	1	0	368.485	1.959	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC#CCOC)C2)C1	ZINC001130666957	939959128	/nfs/dbraw/zinc/95/91/28/939959128.db2.gz	BQNSZPNMMKWENT-FUHWJXTLSA-N	1	0	356.470	1.310	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C/C=C\Cl)C1	ZINC001130680548	939969047	/nfs/dbraw/zinc/96/90/47/939969047.db2.gz	WPOHKGVAHMRWMF-WYUHPSCZSA-N	1	0	364.877	1.648	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2ccc(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130675583	939973365	/nfs/dbraw/zinc/97/33/65/939973365.db2.gz	WZNQAYQXFYSGNY-HHXXYDBFSA-N	1	0	370.501	1.864	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@H]2CCOC2)C1	ZINC001130685057	939974592	/nfs/dbraw/zinc/97/45/92/939974592.db2.gz	BWVIJRNKDNSLKT-SOLBZPMBSA-N	1	0	360.502	1.943	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3cccnn32)C[C@H]1c1cn(C)cn1	ZINC001130687970	939978277	/nfs/dbraw/zinc/97/82/77/939978277.db2.gz	ZJUUXOWKRSMZDS-FUHWJXTLSA-N	1	0	364.453	1.842	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn(CCC=C)nn2)C[C@H]1c1cn(C)cn1	ZINC001130689786	939979559	/nfs/dbraw/zinc/97/95/59/939979559.db2.gz	LLDCGPKYOBDWTK-DOTOQJQBSA-N	1	0	369.473	1.362	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2sc(CC)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130692568	939981377	/nfs/dbraw/zinc/98/13/77/939981377.db2.gz	RGGRHCZPCPFXSI-GOEBONIOSA-N	1	0	371.510	1.969	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2nccc2C)C[C@H]1c1cn(C)cn1	ZINC001130682755	939982727	/nfs/dbraw/zinc/98/27/27/939982727.db2.gz	JICFQNXXBIYRMF-VDZJLULYSA-N	1	0	370.501	1.864	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)[nH]c2=O)C[C@H]1c1cn(C)cn1	ZINC001130683137	939983138	/nfs/dbraw/zinc/98/31/38/939983138.db2.gz	ZASPURDZMKOFDF-FUHWJXTLSA-N	1	0	369.469	1.993	20	30		FDEDRO
C#CCN1CCN(C(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)CC1	ZINC000806621977	939989342	/nfs/dbraw/zinc/98/93/42/939989342.db2.gz	XUXUWTNAMJSGDF-UHFFFAOYSA-N	1	0	365.481	1.503	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(CC)nn2C)C[C@H]1c1cn(C)cn1	ZINC001130698207	939992353	/nfs/dbraw/zinc/99/23/53/939992353.db2.gz	FJAXVEIWRQHTBW-DOTOQJQBSA-N	1	0	356.474	1.490	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c3cccnc23)C[C@H]1c1cn(C)cn1	ZINC001130709895	939997671	/nfs/dbraw/zinc/99/76/71/939997671.db2.gz	HEMFGEQJDZNVAX-MAUKXSAKSA-N	1	0	362.437	1.518	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130709718	939997735	/nfs/dbraw/zinc/99/77/35/939997735.db2.gz	CIAIEMIMLRHNQT-DOTOQJQBSA-N	1	0	371.489	1.411	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130710441	939998328	/nfs/dbraw/zinc/99/83/28/939998328.db2.gz	WNBIHWOXDVXKSV-OFQRWUPVSA-N	1	0	357.462	1.020	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1c1cn(C)cn1	ZINC001130712845	939999966	/nfs/dbraw/zinc/99/99/66/939999966.db2.gz	OPDWNSDTEWBNIE-DZGCQCFKSA-N	1	0	350.413	1.763	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCC(=O)NC(C)C)C[C@H]1c1cn(C)cn1	ZINC001130715094	940007168	/nfs/dbraw/zinc/00/71/68/940007168.db2.gz	SQZUNHKARRJEFT-DOTOQJQBSA-N	1	0	361.490	1.185	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C)cc2=O)C[C@H]1c1cn(C)cn1	ZINC001130708318	940014005	/nfs/dbraw/zinc/01/40/05/940014005.db2.gz	IZMVAQWJNLUZJK-FUHWJXTLSA-N	1	0	369.469	1.581	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccnc(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130729156	940018091	/nfs/dbraw/zinc/01/80/91/940018091.db2.gz	WVVZNPZSWRLJHJ-MAUKXSAKSA-N	1	0	354.458	1.683	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)cc2OC)C[C@H]1c1cn(C)cn1	ZINC001130717902	940018691	/nfs/dbraw/zinc/01/86/91/940018691.db2.gz	YTOAEIYCLDOSRP-PKOBYXMFSA-N	1	0	366.465	1.958	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COCc2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130723131	940027601	/nfs/dbraw/zinc/02/76/01/940027601.db2.gz	CBGGSWQJWMLOGO-AZUAARDMSA-N	1	0	366.465	1.544	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccnc2N(C)C)C[C@H]1c1cn(C)cn1	ZINC001130725732	940030568	/nfs/dbraw/zinc/03/05/68/940030568.db2.gz	BQPSCOQHJCKACR-FUHWJXTLSA-N	1	0	368.485	1.655	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2nonc2C)C[C@H]1c1cn(C)cn1	ZINC001130741482	940033447	/nfs/dbraw/zinc/03/34/47/940033447.db2.gz	FAPYEOQZCFBNLW-IVMMDQJWSA-N	1	0	358.446	1.664	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c3ncccc23)C[C@H]1c1cn(C)cn1	ZINC001130731442	940044973	/nfs/dbraw/zinc/04/49/73/940044973.db2.gz	DNERRRCGKMBMRS-FUHWJXTLSA-N	1	0	362.437	1.518	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1c1cn(C)cn1	ZINC001130741447	940045941	/nfs/dbraw/zinc/04/59/41/940045941.db2.gz	CLDIPFJLNICUPW-YQQAZPJKSA-N	1	0	361.490	1.314	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C=Cc3ccco3)n2)O1	ZINC001130746578	940051454	/nfs/dbraw/zinc/05/14/54/940051454.db2.gz	GECYWWZODMGZEW-KBUFDJFCSA-N	1	0	369.425	1.560	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccccc3F)n2)O1	ZINC001130746911	940052459	/nfs/dbraw/zinc/05/24/59/940052459.db2.gz	MYBLIAAPBAAOPJ-SWLSCSKDSA-N	1	0	357.389	1.317	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc[nH]3)n2)O1	ZINC001130756616	940079810	/nfs/dbraw/zinc/07/98/10/940079810.db2.gz	QNMJZTAXFQIQPT-WCQYABFASA-N	1	0	364.837	1.625	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C)on3)n2)O1	ZINC001130758368	940084159	/nfs/dbraw/zinc/08/41/59/940084159.db2.gz	ZHMMUYPCUVXKKR-GXTWGEPZSA-N	1	0	360.418	1.417	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCCCO3)n2)O1	ZINC001130775410	940092766	/nfs/dbraw/zinc/09/27/66/940092766.db2.gz	UYXOZHGKUQFZQR-RRFJBIMHSA-N	1	0	363.462	1.376	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ncoc3C)n2)O1	ZINC001130765492	940096205	/nfs/dbraw/zinc/09/62/05/940096205.db2.gz	VCNQTXFWGNEGKL-QWHCGFSZSA-N	1	0	360.418	1.417	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H]3CCCO3)n2)O1	ZINC001130765442	940096510	/nfs/dbraw/zinc/09/65/10/940096510.db2.gz	SWFJPUCYMVGFIK-QLFBSQMISA-N	1	0	363.462	1.376	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COC3CCCC3)n2)O1	ZINC001130767187	940100084	/nfs/dbraw/zinc/10/00/84/940100084.db2.gz	BOSBWKGLJYKEBP-LSDHHAIUSA-N	1	0	363.462	1.376	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCCOCC)n2)O1	ZINC001130767387	940100456	/nfs/dbraw/zinc/10/04/56/940100456.db2.gz	HAYUZJXOYAPGGR-LSDHHAIUSA-N	1	0	363.462	1.071	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H]3CCOC3)n2)O1	ZINC001130769298	940105815	/nfs/dbraw/zinc/10/58/15/940105815.db2.gz	BODZKELRLTXKKU-QLFBSQMISA-N	1	0	363.462	1.233	20	30		FDEDRO
CC[C@H](C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C#CC3CC3)n2)O1	ZINC001130785041	940119430	/nfs/dbraw/zinc/11/94/30/940119430.db2.gz	BRJMELLPXWFRKA-CWRNSKLLSA-N	1	0	359.474	1.690	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COCCCC)n2)O1	ZINC001130777174	940127777	/nfs/dbraw/zinc/12/77/77/940127777.db2.gz	VGNSXRPUCUFFRB-LSDHHAIUSA-N	1	0	363.462	1.071	20	30		FDEDRO
C#CCCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC3CC3)O2)n[nH]1	ZINC001130777187	940128526	/nfs/dbraw/zinc/12/85/26/940128526.db2.gz	VVSXROGOKQDOHQ-JKSUJKDBSA-N	1	0	359.474	1.834	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(C4CC4)CCC3)n2)O1	ZINC001130793810	940144257	/nfs/dbraw/zinc/14/42/57/940144257.db2.gz	BBPNDCHYJDNFTE-JKSUJKDBSA-N	1	0	371.485	1.834	20	30		FDEDRO
C#Cc1ccc(C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCF)O3)n[nH]2)cc1	ZINC001130794060	940144737	/nfs/dbraw/zinc/14/47/37/940144737.db2.gz	KIACVYWBKAYODS-JKSUJKDBSA-N	1	0	371.416	1.495	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](CCC)OC)n2)O1	ZINC001130794408	940146437	/nfs/dbraw/zinc/14/64/37/940146437.db2.gz	VFYKIEDUWDFFBB-MJBXVCDLSA-N	1	0	351.451	1.232	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCO)O2)n[nH]1	ZINC001130796068	940149060	/nfs/dbraw/zinc/14/90/60/940149060.db2.gz	GWBODRNCEUTRSX-SOUVJXGZSA-N	1	0	365.478	1.215	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3C=CC=CC=C3)n2)O1	ZINC001130787490	940156734	/nfs/dbraw/zinc/15/67/34/940156734.db2.gz	UZTSSVMNIKVLHU-JKSUJKDBSA-N	1	0	355.442	1.715	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCC3(F)F)n2)O1	ZINC001130787572	940157206	/nfs/dbraw/zinc/15/72/06/940157206.db2.gz	ZEBBBCPNGYAHRT-RWMBFGLXSA-N	1	0	369.416	1.852	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C)cc(C)n3)n2)O1	ZINC001130790265	940163268	/nfs/dbraw/zinc/16/32/68/940163268.db2.gz	PSGXJLYEGZECFY-GOEBONIOSA-N	1	0	368.441	1.189	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](CC)CC(F)F)n2)O1	ZINC001130790392	940164118	/nfs/dbraw/zinc/16/41/18/940164118.db2.gz	XZGWZWJMYAHMFQ-RWMBFGLXSA-N	1	0	369.416	1.545	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(C)(C)COC)n2)O1	ZINC001130792485	940171048	/nfs/dbraw/zinc/17/10/48/940171048.db2.gz	GZKLOLDBFJUNPD-UONOGXRCSA-N	1	0	365.478	1.479	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(CF)CC3)n2)O1	ZINC001130804491	940175466	/nfs/dbraw/zinc/17/54/66/940175466.db2.gz	GXTWTZHJARHXLC-UONOGXRCSA-N	1	0	365.453	1.947	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](CC(C)C)OC)n2)O1	ZINC001130808997	940184713	/nfs/dbraw/zinc/18/47/13/940184713.db2.gz	BQEVVXAMVCUIGB-RRFJBIMHSA-N	1	0	365.478	1.478	20	30		FDEDRO
C=CCC(C)(C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCO)O2)n[nH]1	ZINC001130809022	940185667	/nfs/dbraw/zinc/18/56/67/940185667.db2.gz	CGCPZTFMVRONQZ-UONOGXRCSA-N	1	0	365.478	1.215	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)c3cncnc3)n2)O1	ZINC001130802199	940197040	/nfs/dbraw/zinc/19/70/40/940197040.db2.gz	HIRNXTKURNQHNO-VHDGCEQUSA-N	1	0	371.445	1.010	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ncoc3C3CC3)n2)O1	ZINC001130812916	940210525	/nfs/dbraw/zinc/21/05/25/940210525.db2.gz	FPSVHVDVKXKODD-QWHCGFSZSA-N	1	0	370.413	1.043	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)CC)C[C@H]1c1cncn1C	ZINC001130882820	940279417	/nfs/dbraw/zinc/27/94/17/940279417.db2.gz	NHAHHNAHHWBPIW-HZPDHXFCSA-N	1	0	361.490	1.139	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccccc2)C[C@H]1c1cncn1C	ZINC001130891495	940305998	/nfs/dbraw/zinc/30/59/98/940305998.db2.gz	HIRLPGMBACLCRK-QZTJIDSGSA-N	1	0	354.454	1.821	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnns2)C[C@H]1c1cncn1C	ZINC001130924832	940321587	/nfs/dbraw/zinc/32/15/87/940321587.db2.gz	FZVQUPZHDWPLHB-BFHYXJOUSA-N	1	0	360.487	1.824	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CCSCC)C[C@H]1c1cncn1C	ZINC001130920819	940330717	/nfs/dbraw/zinc/33/07/17/940330717.db2.gz	IPIKZHYZRSSNNF-HZPDHXFCSA-N	1	0	366.531	1.650	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCc2cnn(C)c2)C1	ZINC001130935578	940344544	/nfs/dbraw/zinc/34/45/44/940344544.db2.gz	AQNLWBYDIDKYLC-IAGOWNOFSA-N	1	0	356.474	1.247	20	30		FDEDRO
CC[C@@H](C[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1c1cncn1C)OC	ZINC001130956861	940361753	/nfs/dbraw/zinc/36/17/53/940361753.db2.gz	HRASCDLSGTZUPV-ZMSDIMECSA-N	1	0	370.457	1.243	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1	ZINC000807454778	940364266	/nfs/dbraw/zinc/36/42/66/940364266.db2.gz	ZAIHMUYLKOGUGZ-YJBOKZPZSA-N	1	0	355.438	1.722	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)SC)C[C@H]1c1cncn1C	ZINC001130959793	940365565	/nfs/dbraw/zinc/36/55/65/940365565.db2.gz	UMTPXOUJABIFMO-INMHGKMJSA-N	1	0	366.531	1.648	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1c1cncn1C	ZINC001130951560	940371165	/nfs/dbraw/zinc/37/11/65/940371165.db2.gz	MEDAAXYFLCPRPI-USXIJHARSA-N	1	0	356.474	1.625	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnc(C)nc2)C1	ZINC001130971660	940381050	/nfs/dbraw/zinc/38/10/50/940381050.db2.gz	XGMWMLYZJLBNFX-QZTJIDSGSA-N	1	0	366.469	1.406	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCCCOC)C1	ZINC001130971656	940381057	/nfs/dbraw/zinc/38/10/57/940381057.db2.gz	XCNPIVNXXBOWKP-QZTJIDSGSA-N	1	0	360.502	1.924	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2cncnc2)C[C@H]1c1cncn1C	ZINC001130973029	940384121	/nfs/dbraw/zinc/38/41/21/940384121.db2.gz	MLYVJKQGMLGPFW-IAGOWNOFSA-N	1	0	354.458	1.303	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCn2cccn2)C1	ZINC001130964656	940386956	/nfs/dbraw/zinc/38/69/56/940386956.db2.gz	WPDXVKNEEDAMRM-QZTJIDSGSA-N	1	0	368.485	1.394	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCC(C)C)C1	ZINC001130988919	940410754	/nfs/dbraw/zinc/41/07/54/940410754.db2.gz	POEYCVNUOCCQCC-KZNAEPCWSA-N	1	0	360.502	1.779	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCCCF)C1	ZINC001130988924	940411238	/nfs/dbraw/zinc/41/12/38/940411238.db2.gz	PQJAXJKMFWQHNZ-GVDBMIGSSA-N	1	0	364.465	1.482	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@H](C)c2cnccn2)C1	ZINC001130991402	940413971	/nfs/dbraw/zinc/41/39/71/940413971.db2.gz	IHQCRCMWVFIFLY-JFIYKMOQSA-N	1	0	366.469	1.515	20	30		FDEDRO
CCCCOCC[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1cncn1C	ZINC001130985738	940423406	/nfs/dbraw/zinc/42/34/06/940423406.db2.gz	NOOUEXIULLOSKM-QZTJIDSGSA-N	1	0	358.486	1.534	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccn(C(C)(C)C)n2)C[C@H]1c1cncn1C	ZINC001131001534	940427892	/nfs/dbraw/zinc/42/78/92/940427892.db2.gz	FFQWLZFADTYKRY-NVXWUHKLSA-N	1	0	368.485	1.593	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2nc(C)sc2C)C[C@H]1c1cncn1C	ZINC001131017610	940438292	/nfs/dbraw/zinc/43/82/92/940438292.db2.gz	CMRLYVJNIPGURI-HUUCEWRRSA-N	1	0	357.483	1.715	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(CC#C)CCOCC2)C[C@H]1c1cncn1C	ZINC001131010677	940441847	/nfs/dbraw/zinc/44/18/47/940441847.db2.gz	YGXCWQXZNOQXML-QZTJIDSGSA-N	1	0	368.481	1.148	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3nc[nH]c3n2)C[C@H]1c1cncn1C	ZINC001131014847	940448259	/nfs/dbraw/zinc/44/82/59/940448259.db2.gz	ILCCKLMRLVSXTP-CZUORRHYSA-N	1	0	365.441	1.465	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cccnc2)C[C@H]1c1cncn1C	ZINC001131020212	940452622	/nfs/dbraw/zinc/45/26/22/940452622.db2.gz	NVAQTKNKZSDQAR-QZTJIDSGSA-N	1	0	365.481	1.700	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCn3nccc32)C[C@H]1c1cncn1C	ZINC001131020349	940452923	/nfs/dbraw/zinc/45/29/23/940452923.db2.gz	RGIGVPVFEKALFR-BRWVUGGUSA-N	1	0	368.485	1.654	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ncccc2CC)C[C@H]1c1cncn1C	ZINC001131020368	940452955	/nfs/dbraw/zinc/45/29/55/940452955.db2.gz	SHURXOIEHSUWQF-IAGOWNOFSA-N	1	0	351.454	1.599	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1c1cncn1C	ZINC001131023180	940456649	/nfs/dbraw/zinc/45/66/49/940456649.db2.gz	QAJOEWLTPTVWDB-IAGOWNOFSA-N	1	0	369.469	1.283	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2CCC)C[C@H]1c1cncn1C	ZINC001131023234	940456695	/nfs/dbraw/zinc/45/66/95/940456695.db2.gz	UFCBHCIFMAIYLW-IAGOWNOFSA-N	1	0	370.501	1.880	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1c1cncn1C	ZINC001131026088	940459643	/nfs/dbraw/zinc/45/96/43/940459643.db2.gz	UFFHQTHCXSPYDZ-ZIAGYGMSSA-N	1	0	371.441	1.276	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2coc(OC)n2)C[C@H]1c1cncn1C	ZINC001131038174	940466111	/nfs/dbraw/zinc/46/61/11/940466111.db2.gz	DIPUHEFUZJSVTQ-ZIAGYGMSSA-N	1	0	359.430	1.581	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCn2ccnc2)C[C@H]1c1cncn1C	ZINC001131038151	940466177	/nfs/dbraw/zinc/46/61/77/940466177.db2.gz	BYZPJQRQQXNRDK-KZNAEPCWSA-N	1	0	370.501	1.946	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2cncc(C)c2)C[C@H]1c1cncn1C	ZINC001131040008	940467932	/nfs/dbraw/zinc/46/79/32/940467932.db2.gz	HBUOGFRPAUZBJL-QZTJIDSGSA-N	1	0	351.454	1.274	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1c1cncn1C	ZINC001131041935	940471499	/nfs/dbraw/zinc/47/14/99/940471499.db2.gz	GBWFRBRQIVXOBW-ZIAGYGMSSA-N	1	0	358.446	1.023	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCc2ccnn2C)C1	ZINC001131059748	940478734	/nfs/dbraw/zinc/47/87/34/940478734.db2.gz	HFIWIVKTFCUTNE-QZTJIDSGSA-N	1	0	370.501	1.637	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCc2ccccc2)C[C@H]1c1cncn1C	ZINC001131061362	940479553	/nfs/dbraw/zinc/47/95/53/940479553.db2.gz	AACYNNKUWYSKDD-RTBURBONSA-N	1	0	350.466	1.960	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccn(CC)c2C)C[C@H]1c1cncn1C	ZINC001131053910	940480845	/nfs/dbraw/zinc/48/08/45/940480845.db2.gz	IRSKYDQUDBMOBJ-QZTJIDSGSA-N	1	0	353.470	1.771	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2csc(=O)[nH]2)C[C@H]1c1cncn1C	ZINC001131055682	940481676	/nfs/dbraw/zinc/48/16/76/940481676.db2.gz	HUBMLOCVSQEMCG-CHWSQXEVSA-N	1	0	361.471	1.746	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2cccnc2C)C[C@H]1c1cncn1C	ZINC001131070068	940484309	/nfs/dbraw/zinc/48/43/09/940484309.db2.gz	DQBUKXMVCCXLFD-QZTJIDSGSA-N	1	0	353.470	1.826	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2cccnc2)C[C@H]1c1cncn1C	ZINC001131072367	940485319	/nfs/dbraw/zinc/48/53/19/940485319.db2.gz	VJAVFJJDBGNJKP-KBAYOESNSA-N	1	0	369.469	1.743	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cn2ccnc2C(C)C)C[C@H]1c1cncn1C	ZINC001131082344	940488062	/nfs/dbraw/zinc/48/80/62/940488062.db2.gz	NSJHWRAPYFZKIV-IAGOWNOFSA-N	1	0	368.485	1.348	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cn2ccc(C)cc2=O)C[C@H]1c1cncn1C	ZINC001131083830	940488882	/nfs/dbraw/zinc/48/88/82/940488882.db2.gz	DBYXIKLWAOQCCM-IAGOWNOFSA-N	1	0	369.469	1.051	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C2(CF)CCOCC2)C[C@H]1c1cncn1C	ZINC001131073957	940490380	/nfs/dbraw/zinc/49/03/80/940490380.db2.gz	RBEZRMHIPYRXGV-HZPDHXFCSA-N	1	0	364.465	1.647	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2sc(CC)nc2C)C[C@H]1c1cncn1C	ZINC001131086599	940493607	/nfs/dbraw/zinc/49/36/07/940493607.db2.gz	VUUYOZXQKIRPCQ-HUUCEWRRSA-N	1	0	371.510	1.969	20	30		FDEDRO
CCC[C@@H](CC)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CCOC)C1	ZINC001131099615	940494075	/nfs/dbraw/zinc/49/40/75/940494075.db2.gz	WNKNOVIOUGCUNL-KZNAEPCWSA-N	1	0	360.502	1.780	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCCOC2)C[C@H]1c1cncn1C	ZINC001131096333	940497159	/nfs/dbraw/zinc/49/71/59/940497159.db2.gz	DLOHAOHDJUMSDY-KZNAEPCWSA-N	1	0	358.486	1.534	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCC(=C)C)C2)nc1	ZINC001131110318	940498239	/nfs/dbraw/zinc/49/82/39/940498239.db2.gz	MEUDMTBRKUDEFP-IEBWSBKVSA-N	1	0	363.465	1.960	20	30		FDEDRO
C[NH+](C)CCN1c2ccccc2C(=NNC(=S)Nc2cccnc2)C1=O	ZINC000807948189	940501024	/nfs/dbraw/zinc/50/10/24/940501024.db2.gz	ZJAUICJPLRHGQI-UHFFFAOYSA-N	1	0	368.466	1.681	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn3c2CCCC3)C[C@H]1c1cncn1C	ZINC001131103552	940501144	/nfs/dbraw/zinc/50/11/44/940501144.db2.gz	QDVDJGCXBMZHGV-IAGOWNOFSA-N	1	0	368.485	1.727	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(OC)cc[nH]c2=O)C[C@H]1c1cncn1C	ZINC001131107878	940502498	/nfs/dbraw/zinc/50/24/98/940502498.db2.gz	DYJHCPXIMAJVNU-ZIAGYGMSSA-N	1	0	371.441	1.303	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn(C(C)C)c2)C[C@H]1c1cncn1C	ZINC001131107882	940502523	/nfs/dbraw/zinc/50/25/23/940502523.db2.gz	FANUIEWYYKTKQY-IAGOWNOFSA-N	1	0	354.458	1.419	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2nccs2)C[C@H]1c1cncn1C	ZINC001131127758	940509760	/nfs/dbraw/zinc/50/97/60/940509760.db2.gz	AXJHQWLUHWBUCR-HUUCEWRRSA-N	1	0	357.483	1.417	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)C(N)=O)C[C@H]1c1cncn1C	ZINC001131136290	940513363	/nfs/dbraw/zinc/51/33/63/940513363.db2.gz	FYSBHUCBGVCOBD-ARFHVFGLSA-N	1	0	361.490	1.028	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCCCC(=O)NC)C[C@H]1c1cncn1C	ZINC001131136564	940513558	/nfs/dbraw/zinc/51/35/58/940513558.db2.gz	TZQROURTIZPVNA-HZPDHXFCSA-N	1	0	361.490	1.187	20	30		FDEDRO
C#CCCS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1	ZINC000808304753	940539452	/nfs/dbraw/zinc/53/94/52/940539452.db2.gz	QYXLFSJHMBCCQB-ZWKOTPCHSA-N	1	0	355.548	1.609	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)COCCCC)C1	ZINC001131304471	940547937	/nfs/dbraw/zinc/54/79/37/940547937.db2.gz	LJEUBUJRDGDNQK-BBWFWOEESA-N	1	0	365.474	1.485	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ncc[nH]2)C1	ZINC001131307315	940549067	/nfs/dbraw/zinc/54/90/67/940549067.db2.gz	OYFAYLUOQYZHOZ-KFWWJZLASA-N	1	0	359.430	1.095	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CC4CCC4)C[C@H]32)C1	ZINC001131307443	940549253	/nfs/dbraw/zinc/54/92/53/940549253.db2.gz	TZVLNXIYWUYILX-KSZLIROESA-N	1	0	359.470	1.696	20	30		FDEDRO
COc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)ccn1	ZINC001086668497	940563056	/nfs/dbraw/zinc/56/30/56/940563056.db2.gz	QRBYCCOCNJLAIT-XJKSGUPXSA-N	1	0	353.426	1.978	20	30		FDEDRO
N#CCSCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C/C=C\Cl)CC1	ZINC001131429673	940567447	/nfs/dbraw/zinc/56/74/47/940567447.db2.gz	QRRNKWKNJHOHFW-QKXIJOGJSA-N	1	0	357.907	1.981	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn(C)c2)CC1	ZINC001131416900	940567691	/nfs/dbraw/zinc/56/76/91/940567691.db2.gz	QHIHEYAFQFQRPM-MSOLQXFVSA-N	1	0	362.474	1.222	20	30		FDEDRO
Cc1nc(C)n(CC[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n1	ZINC001086668875	940595828	/nfs/dbraw/zinc/59/58/28/940595828.db2.gz	BXMSUCJKSNGLMA-GOEBONIOSA-N	1	0	355.446	1.283	20	30		FDEDRO
C=CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCc2cnn(C)c2)CC1	ZINC001131448555	940602332	/nfs/dbraw/zinc/60/23/32/940602332.db2.gz	FBMQEXGVFFPUAO-QUCCMNQESA-N	1	0	360.502	1.915	20	30		FDEDRO
C=CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cn(CC)nn2)CC1	ZINC001131448941	940602833	/nfs/dbraw/zinc/60/28/33/940602833.db2.gz	XZUOIGBKEUDEJE-MJGOQNOKSA-N	1	0	361.490	1.750	20	30		FDEDRO
CC(C)COCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)C#N)CC1	ZINC001131450990	940604159	/nfs/dbraw/zinc/60/41/59/940604159.db2.gz	BVRMGZHCDSNCAG-NXHRZFHOSA-N	1	0	351.491	1.804	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)CC)CC1	ZINC001131456438	940610229	/nfs/dbraw/zinc/61/02/29/940610229.db2.gz	PSWSETGYNUEBOM-VPWXQRGCSA-N	1	0	365.518	1.853	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCOC2)CC1	ZINC001131461146	940615804	/nfs/dbraw/zinc/61/58/04/940615804.db2.gz	GQUXFTILHADJQK-QRVBRYPASA-N	1	0	364.486	1.049	20	30		FDEDRO
C#CCCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H](O)COC)CC1	ZINC001131475905	940619015	/nfs/dbraw/zinc/61/90/15/940619015.db2.gz	IFUCMIGSSOFVTJ-NSHGMRRFSA-N	1	0	366.502	1.173	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H]2COC(=O)C2)CC1	ZINC001131467532	940623575	/nfs/dbraw/zinc/62/35/75/940623575.db2.gz	DGPIQUSVAGDCMY-GMBSWORKSA-N	1	0	350.459	1.501	20	30		FDEDRO
C#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H]2CCN(C)C2=O)CC1	ZINC001131487702	940631152	/nfs/dbraw/zinc/63/11/52/940631152.db2.gz	AQCPOUASIUOLEL-AOIWGVFYSA-N	1	0	361.486	1.006	20	30		FDEDRO
C#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2nncn2C)CC1	ZINC001131482839	940637815	/nfs/dbraw/zinc/63/78/15/940637815.db2.gz	AJLMURLYJFSMDE-APWZRJJASA-N	1	0	359.474	1.104	20	30		FDEDRO
CC(C)C#CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(=O)N(C)C)CC1	ZINC001131495677	940646766	/nfs/dbraw/zinc/64/67/66/940646766.db2.gz	ABGRYIOMANVZGT-SUMDDJOVSA-N	1	0	363.502	1.108	20	30		FDEDRO
C#CCOCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCC[C@H](C)O)CC1	ZINC001131498756	940649421	/nfs/dbraw/zinc/64/94/21/940649421.db2.gz	LWHBZMQQVNSIBG-HQRMLTQVSA-N	1	0	366.502	1.173	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)c2ccnn2C)CC1	ZINC001131500324	940651262	/nfs/dbraw/zinc/65/12/62/940651262.db2.gz	RRMYVXYTKGEIIG-WDYCEAGBSA-N	1	0	358.486	1.533	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NC)CC1	ZINC001131506964	940669517	/nfs/dbraw/zinc/66/95/17/940669517.db2.gz	YJNIBZRBONABQZ-QAPCUYQASA-N	1	0	351.491	1.320	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(OC)n(C)n2)CC1	ZINC001131527863	940696896	/nfs/dbraw/zinc/69/68/96/940696896.db2.gz	CTYOVYRXZSJLSJ-QAPCUYQASA-N	1	0	360.458	1.051	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@]23CCC[C@H]2OCC3)CC1	ZINC001131528250	940697995	/nfs/dbraw/zinc/69/79/95/940697995.db2.gz	NQULCUCXTVAMQH-BNDYYXHWSA-N	1	0	360.498	1.955	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1	ZINC001131531960	940701238	/nfs/dbraw/zinc/70/12/38/940701238.db2.gz	RNNLVDYIILLRGD-UHZRXMQZSA-N	1	0	360.498	1.811	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCC(=O)NC2)CC1	ZINC001131522535	940706080	/nfs/dbraw/zinc/70/60/80/940706080.db2.gz	MEIZXKOHVJQXNB-SCTDSRPQSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn(C)nc2OC)CC1	ZINC001131541246	940715323	/nfs/dbraw/zinc/71/53/23/940715323.db2.gz	FNOBWYCEDZVHGJ-SJORKVTESA-N	1	0	362.474	1.604	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCNC(=O)C(C)(C)C)CC1	ZINC001131538937	940726721	/nfs/dbraw/zinc/72/67/21/940726721.db2.gz	YTFLHBSCHPXJKX-AEFFLSMTSA-N	1	0	365.518	1.711	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCC=C)CC1	ZINC001131555833	940731157	/nfs/dbraw/zinc/73/11/57/940731157.db2.gz	ZDCZUCJXYPUYKO-XLIONFOSSA-N	1	0	361.486	1.078	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c[nH]c(=O)cn2)CC1	ZINC001131549904	940738396	/nfs/dbraw/zinc/73/83/96/940738396.db2.gz	FOHRNDBIVCMALQ-QAPCUYQASA-N	1	0	360.458	1.335	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(C(N)=O)[nH]2)CC1	ZINC001131564945	940740997	/nfs/dbraw/zinc/74/09/97/940740997.db2.gz	YQRIPKIRRNAPCH-PBHICJAKSA-N	1	0	360.458	1.289	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCF)CC1	ZINC001131574944	940751600	/nfs/dbraw/zinc/75/16/00/940751600.db2.gz	LZKOFUMPSHJVOA-KURKYZTESA-N	1	0	369.481	1.413	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)NC(C)=O)CC1	ZINC001131577698	940754717	/nfs/dbraw/zinc/75/47/17/940754717.db2.gz	BRLKURCOSNABTI-SJORKVTESA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC#CC)CC1	ZINC001131578043	940755189	/nfs/dbraw/zinc/75/51/89/940755189.db2.gz	LPWCKDYSOPMMQM-YRPNKDGESA-N	1	0	360.498	1.977	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2cncn2C)CC1	ZINC001131599989	940783638	/nfs/dbraw/zinc/78/36/38/940783638.db2.gz	RMKDRUDFVKWIQT-QUCCMNQESA-N	1	0	358.486	1.362	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCn2cccn2)CC1	ZINC001131607061	940786605	/nfs/dbraw/zinc/78/66/05/940786605.db2.gz	VHXJXZQHTCPJMF-QUCCMNQESA-N	1	0	358.486	1.672	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCOCCOC)CC1	ZINC001131610260	940789911	/nfs/dbraw/zinc/78/99/11/940789911.db2.gz	INGOKGYDGVWPMV-QUCCMNQESA-N	1	0	368.518	1.991	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2nonc2C)CC1	ZINC001131612507	940792120	/nfs/dbraw/zinc/79/21/20/940792120.db2.gz	KBILOIFZFQNKFY-WBVHZDCISA-N	1	0	364.446	1.180	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)NC(=O)C2CCC2)CC1	ZINC001131614841	940793750	/nfs/dbraw/zinc/79/37/50/940793750.db2.gz	BODNYFOCYXICNA-OLMNPRSZSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CCNC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)C1=O	ZINC001131627246	940801190	/nfs/dbraw/zinc/80/11/90/940801190.db2.gz	YKADHTMZCDCERJ-QYZOEREBSA-N	1	0	355.482	1.748	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1C#N	ZINC000809503975	940846217	/nfs/dbraw/zinc/84/62/17/940846217.db2.gz	NDGLDPIGJYWUHW-KRWDZBQOSA-N	1	0	370.453	1.270	20	30		FDEDRO
Cn1c(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)nnc1C1CC1	ZINC001086676013	940924026	/nfs/dbraw/zinc/92/40/26/940924026.db2.gz	MFIOFTHLNQMSLH-GXTWGEPZSA-N	1	0	367.457	1.581	20	30		FDEDRO
CC(C)c1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)[nH]1	ZINC001086676639	940949143	/nfs/dbraw/zinc/94/91/43/940949143.db2.gz	NBOIVXIHZMMCFE-GXTWGEPZSA-N	1	0	355.446	1.816	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccc(Cl)cc1	ZINC000810474677	940998991	/nfs/dbraw/zinc/99/89/91/940998991.db2.gz	UAXSZWRCJPQLIN-MRXNPFEDSA-N	1	0	373.844	1.527	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(F)cn3)C2)C1=O	ZINC001086680429	941025813	/nfs/dbraw/zinc/02/58/13/941025813.db2.gz	RWHQTLGYIHGMCE-YSVLISHTSA-N	1	0	360.433	1.496	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2C[C@H]2c2ccccc2CC)C1=O	ZINC001132989113	941154185	/nfs/dbraw/zinc/15/41/85/941154185.db2.gz	AIMJYTTXDROPNV-IPMKNSEASA-N	1	0	355.482	1.845	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(=O)N[C@@H](C)c2ccc(CC)cc2)CC1	ZINC000747823968	941280375	/nfs/dbraw/zinc/28/03/75/941280375.db2.gz	YBBWSYZDYVXXCR-INIZCTEOSA-N	1	0	355.482	1.888	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H](CNC(=O)OC(C)(C)C)C1CC1	ZINC000812833282	941281020	/nfs/dbraw/zinc/28/10/20/941281020.db2.gz	GKZPYRGFMSKOER-ZDUSSCGKSA-N	1	0	354.451	1.233	20	30		FDEDRO
Cc1ncc(S(=O)(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1C#N	ZINC000813666536	941435890	/nfs/dbraw/zinc/43/58/90/941435890.db2.gz	MHTLCRYJUCDYHQ-MRXNPFEDSA-N	1	0	364.471	1.183	20	30		FDEDRO
C[NH+](C)CCCOc1cnccc1CNC(=O)[C@H](O)c1ccc(C#N)cc1	ZINC000813848160	941486761	/nfs/dbraw/zinc/48/67/61/941486761.db2.gz	XDOLPLBZXRZIDX-LJQANCHMSA-N	1	0	368.437	1.634	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1c2ccccc2CC[C@@H]1C	ZINC001134053321	941529959	/nfs/dbraw/zinc/52/99/59/941529959.db2.gz	SDIAWHLHLNVQNK-WDYCEAGBSA-N	1	0	371.481	1.651	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)Nc1cccc(Cl)c1	ZINC001134062417	941541314	/nfs/dbraw/zinc/54/13/14/941541314.db2.gz	ZXGVWWJGXNXLQM-MAZHCROVSA-N	1	0	365.861	1.964	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc3n(n2)CCO3)C1	ZINC001086718773	941578913	/nfs/dbraw/zinc/57/89/13/941578913.db2.gz	RJMWQKPBGIUHBV-WMLDXEAASA-N	1	0	365.437	1.835	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@H]1CC[C@@H]([NH2+][C@H]2CCN(CC=C)C2=O)C1	ZINC001086718307	941582996	/nfs/dbraw/zinc/58/29/96/941582996.db2.gz	RBNSGNQVDDZFIV-KSZLIROESA-N	1	0	370.497	1.949	20	30		FDEDRO
Cn1nccc1-c1ccccc1C[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000814291810	941608845	/nfs/dbraw/zinc/60/88/45/941608845.db2.gz	ZQNCVFWRIXXBDH-VHEBQXMUSA-N	1	0	351.410	1.703	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1cc(C(=O)OCC)c(C)cc1F	ZINC000815082448	941777843	/nfs/dbraw/zinc/77/78/43/941777843.db2.gz	RIUZYACQLJHPHP-UHFFFAOYSA-N	1	0	370.446	1.544	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCCC[C@H]1C	ZINC001135058579	941874051	/nfs/dbraw/zinc/87/40/51/941874051.db2.gz	WYJCUBKTWWNXQM-RYRKJORJSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccccc1F	ZINC001135067684	941883180	/nfs/dbraw/zinc/88/31/80/941883180.db2.gz	IEGQMHAYWMBJOT-KSSFIOAISA-N	1	0	363.433	1.841	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N(C)C1CCCCC1	ZINC001135067723	941883398	/nfs/dbraw/zinc/88/33/98/941883398.db2.gz	JSOFUALKOHPQQX-HKUYNNGSSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cnc[nH]c2=O)C1	ZINC001086728148	941890601	/nfs/dbraw/zinc/89/06/01/941890601.db2.gz	OHGYOMZGVVSQGH-WDEREUQCSA-N	1	0	355.236	1.579	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]Cc1cnnn1-c1ccccc1	ZINC001135142326	941927896	/nfs/dbraw/zinc/92/78/96/941927896.db2.gz	PLKVQYZEPORVPX-ROUUACIJSA-N	1	0	355.442	1.454	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCN(c2ccc(C)cc2)C1=O	ZINC001135145444	941929159	/nfs/dbraw/zinc/92/91/59/941929159.db2.gz	IOEGFELUSSZOQV-FHWLQOOXSA-N	1	0	371.481	1.787	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CCn1cnc2ccccc2c1=O	ZINC001135147632	941934959	/nfs/dbraw/zinc/93/49/59/941934959.db2.gz	PNLDUWKYVZGOMV-WMZOPIPTSA-N	1	0	370.453	1.084	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)c1ccc(F)cc1F	ZINC001135147586	941942920	/nfs/dbraw/zinc/94/29/20/941942920.db2.gz	NFCXFQNQHGCWOH-XIRDDKMYSA-N	1	0	354.397	1.685	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)c(NC(=O)OC)c1	ZINC000815860398	941996204	/nfs/dbraw/zinc/99/62/04/941996204.db2.gz	JMYGHMJLZJIDOD-UHFFFAOYSA-N	1	0	364.377	1.014	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cnc(C(F)(F)F)cc1OC	ZINC000815860352	941996479	/nfs/dbraw/zinc/99/64/79/941996479.db2.gz	IDANWJKZFPNIQF-UHFFFAOYSA-N	1	0	372.347	1.119	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cnc3ccccn3c2=O)C1	ZINC001086733582	942077829	/nfs/dbraw/zinc/07/78/29/942077829.db2.gz	SLTLBGVPESXYAS-UONOGXRCSA-N	1	0	360.845	1.935	20	30		FDEDRO
C=CCOc1ccccc1C(=O)NC[C@H]1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1	ZINC001086735619	942101498	/nfs/dbraw/zinc/10/14/98/942101498.db2.gz	FYUMTDJIVIPSDL-ZMSDIMECSA-N	1	0	357.454	1.628	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)cc1	ZINC001086773563	942461019	/nfs/dbraw/zinc/46/10/19/942461019.db2.gz	RWASXHDNXKZUNQ-FUHWJXTLSA-N	1	0	367.449	1.305	20	30		FDEDRO
CN1C(=O)CC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1	ZINC001086784730	942495180	/nfs/dbraw/zinc/49/51/80/942495180.db2.gz	OTDFBADSGKRDLQ-WOSRLPQWSA-N	1	0	360.483	1.615	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1	ZINC001086788450	942523790	/nfs/dbraw/zinc/52/37/90/942523790.db2.gz	OMADPJMNNQFKRR-XJKSGUPXSA-N	1	0	351.410	1.330	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCc2cccc(CN3CCOCC3)c2)CC1	ZINC000817182797	942616042	/nfs/dbraw/zinc/61/60/42/942616042.db2.gz	GFWDOGCHWMWAJP-UHFFFAOYSA-N	1	0	356.466	1.907	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3CC)C2)c1	ZINC001086798474	942635379	/nfs/dbraw/zinc/63/53/79/942635379.db2.gz	POGNKPXDIRPULE-DOTOQJQBSA-N	1	0	352.442	1.363	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3c(C)nnn3CC)C2)c1	ZINC001086798658	942636194	/nfs/dbraw/zinc/63/61/94/942636194.db2.gz	ZMIFKYWDRGEGKH-FUHWJXTLSA-N	1	0	366.469	1.671	20	30		FDEDRO
N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CC[C@@H](n2cncn2)C1	ZINC000776877902	970929312	/nfs/dbraw/zinc/92/93/12/970929312.db2.gz	KWLSQPXIXQZQMG-HUUCEWRRSA-N	1	0	359.393	1.762	20	30		FDEDRO
C=CCCN(OCc1ccccc1)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1	ZINC000817985367	943118601	/nfs/dbraw/zinc/11/86/01/943118601.db2.gz	JIWSFRJOKATRFQ-FQEVSTJZSA-N	1	0	357.454	1.735	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(CC)cc2)C[C@H]1O	ZINC001195467905	970971102	/nfs/dbraw/zinc/97/11/02/970971102.db2.gz	XTYGMHVMYKPNOJ-HSALFYBXSA-N	1	0	358.482	1.637	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C[NH2+]C2CC2)cc1	ZINC000818490529	943256348	/nfs/dbraw/zinc/25/63/48/943256348.db2.gz	DVIIUWSZCKJDMC-CYVLTUHYSA-N	1	0	350.444	1.190	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2[NH2+]CC2(C)C)c1	ZINC000818498753	943256676	/nfs/dbraw/zinc/25/66/76/943256676.db2.gz	CRKAWKXERRFLHU-CPOQMQJTSA-N	1	0	364.471	1.436	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@H]1O	ZINC001195474882	970978882	/nfs/dbraw/zinc/97/88/82/970978882.db2.gz	ZEBZABSHVHTHJV-WOJBJXKFSA-N	1	0	356.466	1.614	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O	ZINC000818595649	943326679	/nfs/dbraw/zinc/32/66/79/943326679.db2.gz	HEVGFVPLTVMZBN-QGZVFWFLSA-N	1	0	355.438	1.379	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CCC(=O)c1ccc2c(c1)OCCCO2	ZINC000818602794	943329242	/nfs/dbraw/zinc/32/92/42/943329242.db2.gz	FPVBSDVEUIPWLD-UHFFFAOYSA-N	1	0	358.438	1.882	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000818940714	943353174	/nfs/dbraw/zinc/35/31/74/943353174.db2.gz	CQZNIFPQQKKZFW-UHFFFAOYSA-N	1	0	358.320	1.755	20	30		FDEDRO
CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]CCNc2ccc(C#N)cn2)cc1	ZINC000818952385	943361923	/nfs/dbraw/zinc/36/19/23/943361923.db2.gz	JYBGXDBRAQJPKU-INIZCTEOSA-N	1	0	360.439	1.092	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]CCS(=O)(=O)Cc2ccccc2)cc1	ZINC000818977496	943366557	/nfs/dbraw/zinc/36/65/57/943366557.db2.gz	XDZUQKYSJZQRMW-SFHVURJKSA-N	1	0	374.462	1.503	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1	ZINC000819002878	943380159	/nfs/dbraw/zinc/38/01/59/943380159.db2.gz	OUDKVZBZBSBLFW-UHFFFAOYSA-N	1	0	351.397	1.986	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(F)cn3)C2)nn1	ZINC001086823336	943385969	/nfs/dbraw/zinc/38/59/69/943385969.db2.gz	YGXNIISXWOOPHS-DZGCQCFKSA-N	1	0	358.421	1.687	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000819052016	943395598	/nfs/dbraw/zinc/39/55/98/943395598.db2.gz	YLRCUOGLMYOERL-CVEARBPZSA-N	1	0	361.442	1.897	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)cc1	ZINC000819060830	943400093	/nfs/dbraw/zinc/40/00/93/943400093.db2.gz	IOORQHIHVDZRES-FPOVZHCZSA-N	1	0	373.497	1.725	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]CCc1ccc(Br)cc1F	ZINC000819039262	943411009	/nfs/dbraw/zinc/41/10/09/943411009.db2.gz	AVNOCMQIDZKSSJ-AWEZNQCLSA-N	1	0	358.255	1.927	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nccs3)C2)nn1	ZINC001086824786	943414984	/nfs/dbraw/zinc/41/49/84/943414984.db2.gz	YUSHTSYDTWWXLP-UONOGXRCSA-N	1	0	360.487	1.999	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+]C[C@@H](O)Cn1cnc2cc(C)c(C)cc21	ZINC000819221067	943492975	/nfs/dbraw/zinc/49/29/75/943492975.db2.gz	AVETWIMVUZOHCE-OAHLLOKOSA-N	1	0	351.472	1.204	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)cc1	ZINC000819234744	943500769	/nfs/dbraw/zinc/50/07/69/943500769.db2.gz	JRVIMBGFMRJJKO-SFHVURJKSA-N	1	0	356.401	1.752	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]CC1(COC)CCN(C(=O)OC(C)(C)C)CC1	ZINC000819298844	943508687	/nfs/dbraw/zinc/50/86/87/943508687.db2.gz	NHLMPIDUDSQKJK-UHFFFAOYSA-N	1	0	367.490	1.379	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)C1	ZINC000819358775	943541073	/nfs/dbraw/zinc/54/10/73/943541073.db2.gz	PWLQLFZRWCVVMA-IAGOWNOFSA-N	1	0	361.442	1.817	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cnn(C)n3)C2)cc1C#N	ZINC001086827838	943579069	/nfs/dbraw/zinc/57/90/69/943579069.db2.gz	MXLXKIHPERYSID-GOEBONIOSA-N	1	0	368.441	1.384	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC1CC(C[NH2+]Cc2cc(C#N)ccc2F)C1	ZINC000961942378	1013054095	/nfs/dbraw/zinc/05/40/95/1013054095.db2.gz	HPDRPAUCDHVOOP-QZXDYEHLSA-N	1	0	361.417	1.486	20	30		FDEDRO
CON=C(C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1csc(N)n1	ZINC000820303684	943980439	/nfs/dbraw/zinc/98/04/39/943980439.db2.gz	STHRMHPZMMFSOS-LBPRGKRZSA-N	1	0	351.476	1.410	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)ccc1F	ZINC000820503931	944089688	/nfs/dbraw/zinc/08/96/88/944089688.db2.gz	OTNAXZSYQIEHIY-DOMZBBRYSA-N	1	0	369.462	1.455	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1	ZINC001086839148	944232727	/nfs/dbraw/zinc/23/27/27/944232727.db2.gz	OEOPXTBWJMIMTD-CMPLNLGQSA-N	1	0	369.263	1.510	20	30		FDEDRO
C#CCCN(CCOC)C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1	ZINC000856391257	971112933	/nfs/dbraw/zinc/11/29/33/971112933.db2.gz	PGCGYROBVLNXJU-OALUTQOASA-N	1	0	360.502	1.732	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn(C)c3ccccc23)C1	ZINC001195690701	971137798	/nfs/dbraw/zinc/13/77/98/971137798.db2.gz	CLMMREIHRNKXFL-IEBWSBKVSA-N	1	0	357.454	1.085	20	30		FDEDRO
COC(OC)c1c(C[N@@H+]2CC[C@H](CO)C2)ccnc1NCCCS	ZINC001171000722	945381590	/nfs/dbraw/zinc/38/15/90/945381590.db2.gz	DJGLUKGNQBFBFC-ZDUSSCGKSA-N	1	0	355.504	1.919	20	30		FDEDRO
C#C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1CCOCC1	ZINC000823169188	945549893	/nfs/dbraw/zinc/54/98/93/945549893.db2.gz	WULMWSLGFMLGEF-MOPGFXCFSA-N	1	0	362.518	1.225	20	30		FDEDRO
CON=C(C(=O)Nc1ccc(C[NH+](C)C)cc1F)c1csc(N)n1	ZINC000823576380	945831110	/nfs/dbraw/zinc/83/11/10/945831110.db2.gz	DXZPODGWTNTSFA-UHFFFAOYSA-N	1	0	351.407	1.915	20	30		FDEDRO
CCCCCC[N@H+](C)CC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1C	ZINC001090751041	946250723	/nfs/dbraw/zinc/25/07/23/946250723.db2.gz	OIMPEXLCTKIFOJ-NVXWUHKLSA-N	1	0	358.490	1.801	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H]1C	ZINC001090762119	946369105	/nfs/dbraw/zinc/36/91/05/946369105.db2.gz	XSOBJZICPVSJMP-ZYHUDNBSSA-N	1	0	355.895	1.951	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CN(c2nc(C)ccc2C#N)C[C@H]1C	ZINC001090778136	946567659	/nfs/dbraw/zinc/56/76/59/946567659.db2.gz	NGSNFZCTYFBFBZ-KBRIMQKVSA-N	1	0	361.465	1.883	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]21	ZINC001573282757	946698162	/nfs/dbraw/zinc/69/81/62/946698162.db2.gz	NXUHLBOZSSFGKM-AEGPPILISA-N	1	0	353.430	1.048	20	30		FDEDRO
C#CCCCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573284516	946750775	/nfs/dbraw/zinc/75/07/75/946750775.db2.gz	FNFJIBDLUHSEPW-CHWSQXEVSA-N	1	0	358.421	1.792	20	30		FDEDRO
C#CCCCC(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573285500	946780840	/nfs/dbraw/zinc/78/08/40/946780840.db2.gz	YVSCJKGGTNNEDH-CYBMUJFWSA-N	1	0	358.421	1.746	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1C	ZINC001573285656	946786175	/nfs/dbraw/zinc/78/61/75/946786175.db2.gz	ZZDWXFHJMAXEBU-ZFWWWQNUSA-N	1	0	370.432	1.888	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc(-c2nn[nH]n2)cc1	ZINC000824553879	946794318	/nfs/dbraw/zinc/79/43/18/946794318.db2.gz	JQSWFEGDWKNZRL-CYBMUJFWSA-N	1	0	352.402	1.173	20	30		FDEDRO
C#Cc1ccc(C(=O)NCC2([NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)cn1	ZINC001573287491	946838078	/nfs/dbraw/zinc/83/80/78/946838078.db2.gz	IPXBIFFLQSUXFI-UHFFFAOYSA-N	1	0	373.420	1.295	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CCCCNc1ccc(O[C@@H]2CCC[NH2+]C2)nn1	ZINC001171070712	946853529	/nfs/dbraw/zinc/85/35/29/946853529.db2.gz	ILKVWPCHPJTDMD-CABCVRRESA-N	1	0	363.462	1.246	20	30		FDEDRO
CCc1noc(C[C@]2(O)CCC[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)n1	ZINC000856675422	971301135	/nfs/dbraw/zinc/30/11/35/971301135.db2.gz	YCEBUKUGFOKROG-VQIMIIECSA-N	1	0	356.426	1.607	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C(C)(C)C1	ZINC001573560384	946951601	/nfs/dbraw/zinc/95/16/01/946951601.db2.gz	BNAGVQBIIOMLPN-NHYWBVRUSA-N	1	0	371.420	1.492	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C(C)(C)C1	ZINC001573560601	946953586	/nfs/dbraw/zinc/95/35/86/946953586.db2.gz	DIMKVUPJVFZZPT-WFASDCNBSA-N	1	0	353.430	1.353	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2C1	ZINC001573294031	946975963	/nfs/dbraw/zinc/97/59/63/946975963.db2.gz	RQERZIPGWUWLHF-QEJZJMRPSA-N	1	0	355.446	1.601	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1	ZINC001573562960	946981377	/nfs/dbraw/zinc/98/13/77/946981377.db2.gz	YGNYXOGVLCMJQU-WBMJQRKESA-N	1	0	353.430	1.353	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573294380	946988085	/nfs/dbraw/zinc/98/80/85/946988085.db2.gz	AHZFDDXMUZTBDH-SMDDNHRTSA-N	1	0	363.853	1.920	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573564464	946991459	/nfs/dbraw/zinc/99/14/59/946991459.db2.gz	JALRKDSFEDKKHP-DGCLKSJQSA-N	1	0	357.393	1.198	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@](C)(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573565450	947008195	/nfs/dbraw/zinc/00/81/95/947008195.db2.gz	QYXVHRKCVVSXET-ACJLOTCBSA-N	1	0	353.430	1.355	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@](C)(C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573565553	947010003	/nfs/dbraw/zinc/01/00/03/947010003.db2.gz	RWHOTNYXOXSADM-XIKOKIGWSA-N	1	0	371.420	1.494	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1	ZINC001573295254	947012734	/nfs/dbraw/zinc/01/27/34/947012734.db2.gz	MUVVTZUGSXBXRI-VXGBXAGGSA-N	1	0	363.853	1.778	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2CN([C@@H](C)C(=O)NC(CC)CC)C[C@H]2O)CCC1	ZINC001195940701	971311708	/nfs/dbraw/zinc/31/17/08/971311708.db2.gz	ZZOMWJAPENSCBS-USXIJHARSA-N	1	0	365.518	1.587	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC([N@H+](C)Cc2cc(F)ccc2-c2nn[nH]n2)CC1	ZINC001573566006	947020021	/nfs/dbraw/zinc/02/00/21/947020021.db2.gz	YVDOMOCSSGBKHD-GFCCVEGCSA-N	1	0	371.420	1.588	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573566733	947031589	/nfs/dbraw/zinc/03/15/89/947031589.db2.gz	GFEVXLZYVRWAFN-OLZOCXBDSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1	ZINC001573566898	947032418	/nfs/dbraw/zinc/03/24/18/947032418.db2.gz	HHNUXXKMZSRRID-GXTWGEPZSA-N	1	0	371.420	1.636	20	30		FDEDRO
C=C1CC(C)(C(=O)NC[C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573296961	947059018	/nfs/dbraw/zinc/05/90/18/947059018.db2.gz	CRAQJRHQZXRHQW-LBPRGKRZSA-N	1	0	358.421	1.956	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CCCC1	ZINC001573298197	947070987	/nfs/dbraw/zinc/07/09/87/947070987.db2.gz	NUROXNVOIOUONQ-AWEZNQCLSA-N	1	0	363.853	1.826	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[C@@H]1C	ZINC001573298561	947078022	/nfs/dbraw/zinc/07/80/22/947078022.db2.gz	PRDFBVJVYLZCJL-GXFFZTMASA-N	1	0	363.853	1.635	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573299277	947091083	/nfs/dbraw/zinc/09/10/83/947091083.db2.gz	SDEFJFFVSCZCDK-YGRLFVJLSA-N	1	0	363.853	1.778	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC1(C)CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1	ZINC001573572481	947115494	/nfs/dbraw/zinc/11/54/94/947115494.db2.gz	ITVZCNSLNKTXND-ZDUSSCGKSA-N	1	0	353.430	1.497	20	30		FDEDRO
C=CC(C)(C)C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1	ZINC001573301206	947132475	/nfs/dbraw/zinc/13/24/75/947132475.db2.gz	UBBRNBKULXRQOE-MRXNPFEDSA-N	1	0	372.473	1.330	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@H]1CCCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1	ZINC001573575653	947142150	/nfs/dbraw/zinc/14/21/50/947142150.db2.gz	AHZNVUVOCQYARO-CHWSQXEVSA-N	1	0	373.486	1.949	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)[C@@H](C)C#N)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1	ZINC001573577537	947169224	/nfs/dbraw/zinc/16/92/24/947169224.db2.gz	QYNVCLUOJRHZSP-XHDPSFHLSA-N	1	0	359.409	1.396	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573582712	947194346	/nfs/dbraw/zinc/19/43/46/947194346.db2.gz	GIFHMZZRXSQBRN-ZFWWWQNUSA-N	1	0	353.430	1.355	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573309206	947194446	/nfs/dbraw/zinc/19/44/46/947194446.db2.gz	FAQZXLCPHFPYQX-ZXYWRSMDSA-N	1	0	370.457	1.178	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1	ZINC001573583528	947204925	/nfs/dbraw/zinc/20/49/25/947204925.db2.gz	MROZWEDUVUCNDB-NSHDSACASA-N	1	0	359.459	1.416	20	30		FDEDRO
CC(C)[C@@H](CCNC(=O)[C@@H](C)C#N)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F	ZINC001573583461	947205212	/nfs/dbraw/zinc/20/52/12/947205212.db2.gz	MGFRLKUCQCMRQT-BLLLJJGKSA-N	1	0	373.436	1.786	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1-c1nn[nH]n1	ZINC001573585259	947252888	/nfs/dbraw/zinc/25/28/88/947252888.db2.gz	MNDRQZFWHGPZMA-CUBALJKWSA-N	1	0	351.414	1.248	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1c1ccc(OC)cc1	ZINC001090863158	947311526	/nfs/dbraw/zinc/31/15/26/947311526.db2.gz	BOPZAGZJHZTDJY-ZWKOTPCHSA-N	1	0	357.454	1.388	20	30		FDEDRO
C=CCC1(C(=O)N2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)CC2)CCC1	ZINC001573326576	947375273	/nfs/dbraw/zinc/37/52/73/947375273.db2.gz	QUPMHOWQOYIBSN-UHFFFAOYSA-N	1	0	367.457	1.965	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090868472	947378342	/nfs/dbraw/zinc/37/83/42/947378342.db2.gz	ICMNDIHOCSSQBR-NZSAHSFTSA-N	1	0	371.481	1.682	20	30		FDEDRO
C=CCCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573329384	947417763	/nfs/dbraw/zinc/41/77/63/947417763.db2.gz	ISOBSSIKOYTTMO-BLLLJJGKSA-N	1	0	358.421	1.909	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nccn2CC)C[C@H]1c1ccc(OC)cc1	ZINC001090871078	947419921	/nfs/dbraw/zinc/41/99/21/947419921.db2.gz	QKXFWTKLMLYSEM-ZWKOTPCHSA-N	1	0	352.438	1.743	20	30		FDEDRO
C=CCCC(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2OC)[C@@H]1C	ZINC001573330570	947435832	/nfs/dbraw/zinc/43/58/32/947435832.db2.gz	YYVQDUZQLZUMSJ-XJKSGUPXSA-N	1	0	370.457	1.921	20	30		FDEDRO
CCCC[NH+]=C(NCCNC(=O)c1ccn[nH]1)NCc1ccc(C)cc1	ZINC000305886896	1013074719	/nfs/dbraw/zinc/07/47/19/1013074719.db2.gz	YPEGIIKOFKEHHQ-UHFFFAOYSA-N	1	0	356.474	1.983	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1c1ccc(OC)cc1	ZINC001090874601	947478890	/nfs/dbraw/zinc/47/88/90/947478890.db2.gz	MQUMJTQVVLNLRZ-GBESFXJTSA-N	1	0	371.481	1.682	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H]([NH2+]CC)C1	ZINC001090874163	947522169	/nfs/dbraw/zinc/52/21/69/947522169.db2.gz	CSFSUWVLAHNMBW-ZCNNSNEGSA-N	1	0	355.482	1.697	20	30		FDEDRO
C=CC[N@@H+](C)CCN(CC)C(=O)c1cc(F)c(-c2nn[nH]n2)c(F)c1	ZINC001573341507	947533962	/nfs/dbraw/zinc/53/39/62/947533962.db2.gz	NOLHBQJNCBYUBG-UHFFFAOYSA-N	1	0	350.373	1.725	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2nc(C)no2)C[C@H]1c1ccc(OC)cc1	ZINC001090877517	947534783	/nfs/dbraw/zinc/53/47/83/947534783.db2.gz	UQIROUNMLXGBNS-ZWKOTPCHSA-N	1	0	368.437	1.537	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N(CCC)[C@H]2CC[N@H+](C)C2)c1	ZINC000843992633	947540776	/nfs/dbraw/zinc/54/07/76/947540776.db2.gz	SONRDFVHLXBKBX-INIZCTEOSA-N	1	0	363.483	1.154	20	30		FDEDRO
C=CCOCC(=O)N[C@@H](C)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573342797	947548113	/nfs/dbraw/zinc/54/81/13/947548113.db2.gz	DUQFTJIHFJEYGH-ZDUSSCGKSA-N	1	0	356.430	1.006	20	30		FDEDRO
C=CCOCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573343970	947566108	/nfs/dbraw/zinc/56/61/08/947566108.db2.gz	VHMLXZZDOOSGQP-OKILXGFUSA-N	1	0	374.420	1.193	20	30		FDEDRO
C=CCOCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1	ZINC001573344039	947566566	/nfs/dbraw/zinc/56/65/66/947566566.db2.gz	XCXXCSSKVRFZSV-LBPRGKRZSA-N	1	0	362.459	1.211	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cncnc2)C[C@H]1c1ccc(OC)cc1	ZINC001090879305	947573889	/nfs/dbraw/zinc/57/38/89/947573889.db2.gz	KHGWZELEWPVNOB-UIAACRFSSA-N	1	0	364.449	1.806	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2[nH]c(C)nc2C)C[C@H]1c1ccc(OC)cc1	ZINC001090880699	947595055	/nfs/dbraw/zinc/59/50/55/947595055.db2.gz	FZKXLZHGHFKLCV-ZWKOTPCHSA-N	1	0	352.438	1.866	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090880718	947595361	/nfs/dbraw/zinc/59/53/61/947595361.db2.gz	HDFXQSXEVDLKJU-KCITZHQASA-N	1	0	369.465	1.114	20	30		FDEDRO
CC#CC[NH2+]Cc1ccc(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)c(F)c1	ZINC001573358766	947670482	/nfs/dbraw/zinc/67/04/82/947670482.db2.gz	QEINGPFQRHQYPR-UHFFFAOYSA-N	1	0	367.388	1.377	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)CC1	ZINC000844055972	947674755	/nfs/dbraw/zinc/67/47/55/947674755.db2.gz	XOLFLZIUCIKWIW-CQSZACIVSA-N	1	0	359.392	1.391	20	30		FDEDRO
CO[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+]1CCCC1	ZINC001090892614	947750520	/nfs/dbraw/zinc/75/05/20/947750520.db2.gz	XZBIFFYXYIMOFS-GUDVDZBRSA-N	1	0	371.485	1.393	20	30		FDEDRO
CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N[C@H]1C[NH2+]C[C@H]1C#N	ZINC000844193204	947841262	/nfs/dbraw/zinc/84/12/62/947841262.db2.gz	AOMDHYACMIFWKX-KDOFPFPSSA-N	1	0	360.421	1.960	20	30		FDEDRO
CO[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C	ZINC001090905336	947908201	/nfs/dbraw/zinc/90/82/01/947908201.db2.gz	SHSWVXFIJHYQEJ-KBAYOESNSA-N	1	0	362.449	1.603	20	30		FDEDRO
CN(C[C@@H](O)C[N@H+](C)C[C@H](O)c1ccc(C#N)cc1)C(=O)OC(C)(C)C	ZINC000844362328	948013568	/nfs/dbraw/zinc/01/35/68/948013568.db2.gz	YQMGVYQNJHFHFH-IRXDYDNUSA-N	1	0	363.458	1.751	20	30		FDEDRO
CN(C)S(=O)(=O)c1ccc(C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)cc1	ZINC000844368153	948018073	/nfs/dbraw/zinc/01/80/73/948018073.db2.gz	WXCCMJZYWMNQBG-LJQANCHMSA-N	1	0	373.478	1.974	20	30		FDEDRO
CO[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C	ZINC001090949415	948086117	/nfs/dbraw/zinc/08/61/17/948086117.db2.gz	NUSUHQURHJBWHU-GVDBMIGSSA-N	1	0	357.458	1.147	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC3(C1)CS(=O)(=O)C3)C2	ZINC001110715311	971460213	/nfs/dbraw/zinc/46/02/13/971460213.db2.gz	UUMHMOMHXBHXBQ-DZUCGIPZSA-N	1	0	366.527	1.887	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1	ZINC000844542727	948159737	/nfs/dbraw/zinc/15/97/37/948159737.db2.gz	DYPYAYZCMIZLNE-UHFFFAOYSA-N	1	0	362.405	1.075	20	30		FDEDRO
COC(=O)c1cc2c(nc1N(C)C)CC[N@H+](Cc1cncc(C#N)c1)CC2	ZINC001144080126	948200079	/nfs/dbraw/zinc/20/00/79/948200079.db2.gz	CNJDDMOOHXVGGD-UHFFFAOYSA-N	1	0	365.437	1.802	20	30		FDEDRO
C[C@H]1c2ncc(CN3CC[NH+](C)CC3)n2CCN1Cc1ccc(C#N)cn1	ZINC001144158367	948301754	/nfs/dbraw/zinc/30/17/54/948301754.db2.gz	CYFSOHZKMCNJGP-INIZCTEOSA-N	1	0	365.485	1.474	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3COC[C@@H](C(=O)NCc4ccco4)[C@@H]3C2)nc1	ZINC001144158533	948301978	/nfs/dbraw/zinc/30/19/78/948301978.db2.gz	KECKLRIVKAHBAC-ATZDWAIDSA-N	1	0	366.421	1.557	20	30		FDEDRO
C[NH+](C)CCOCc1ncn2c1CN(Cc1ccc(C#N)cn1)CCC2	ZINC001144160871	948305513	/nfs/dbraw/zinc/30/55/13/948305513.db2.gz	WDTIKQBBLDPITE-UHFFFAOYSA-N	1	0	354.458	1.634	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)/C=C\c2ccc(F)cc2)CC1	ZINC001144210443	948383220	/nfs/dbraw/zinc/38/32/20/948383220.db2.gz	UUKRQEMODHOFMY-HWYHOQROSA-N	1	0	361.461	1.798	20	30		FDEDRO
CC[C@@H](C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1O)[NH+](CC)CC	ZINC001196114773	971484626	/nfs/dbraw/zinc/48/46/26/971484626.db2.gz	BNWWOINDAJLRRT-IXDOHACOSA-N	1	0	364.515	1.401	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC([NH2+]Cc2cc3n(n2)CCC3)C1	ZINC001091034271	948557755	/nfs/dbraw/zinc/55/77/55/948557755.db2.gz	HCBRWDFWKZPHMX-FUICEZJUSA-N	1	0	358.486	1.795	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CCc2ccccc2F)C1	ZINC001196152158	971505342	/nfs/dbraw/zinc/50/53/42/971505342.db2.gz	NJMKGEORUYZSET-KFKAGJAMSA-N	1	0	364.461	1.758	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3ncn(C)c3n2)C1	ZINC001196152309	971505986	/nfs/dbraw/zinc/50/59/86/971505986.db2.gz	PRCPUDVUNNCOSS-IAGOWNOFSA-N	1	0	357.458	1.490	20	30		FDEDRO
CC(C)(C)C#CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573793295	949291540	/nfs/dbraw/zinc/29/15/40/949291540.db2.gz	NZRGNRHYKWEKCN-MRXNPFEDSA-N	1	0	352.442	1.607	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccn(CCC#N)n1	ZINC000845557275	949505873	/nfs/dbraw/zinc/50/58/73/949505873.db2.gz	YPBXYMCOTZIVQP-CYBMUJFWSA-N	1	0	364.450	1.580	20	30		FDEDRO
CC(C)[C@@H](CO)ONC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000845747129	949883228	/nfs/dbraw/zinc/88/32/28/949883228.db2.gz	OKPLMDYZZJKMIE-GOSISDBHSA-N	1	0	360.458	1.770	20	30		FDEDRO
C#Cc1ccc(C[N@H+]2C[C@@H]3COC[C@@H](C(=O)N4CCCCO4)[C@@H]3C2)cc1	ZINC001144569291	949946973	/nfs/dbraw/zinc/94/69/73/949946973.db2.gz	NJDLXMOXFZQOEV-VAMGGRTRSA-N	1	0	354.450	1.916	20	30		FDEDRO
C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC000845817478	949978146	/nfs/dbraw/zinc/97/81/46/949978146.db2.gz	HUFVFGVVQVNWJC-NFAWXSAZSA-N	1	0	365.455	1.108	20	30		FDEDRO
C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(CC#N)ccn1	ZINC000845822740	949985979	/nfs/dbraw/zinc/98/59/79/949985979.db2.gz	ARYVDDXLYPAZNR-AWEZNQCLSA-N	1	0	361.446	1.931	20	30		FDEDRO
CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H](C)C#N	ZINC001574153967	950158406	/nfs/dbraw/zinc/15/84/06/950158406.db2.gz	YOYMMJNOBGXFHK-ZFWWWQNUSA-N	1	0	355.446	1.647	20	30		FDEDRO
C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1ccc(C#N)s1	ZINC001574738624	950175187	/nfs/dbraw/zinc/17/51/87/950175187.db2.gz	HHHLGDZKZFCQJF-SNVBAGLBSA-N	1	0	370.442	1.378	20	30		FDEDRO
C[C@H](CNC(=O)c1c[nH]c(C#N)c1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1	ZINC001574983513	950225548	/nfs/dbraw/zinc/22/55/48/950225548.db2.gz	PTVLJJSEMYKKMI-GFCCVEGCSA-N	1	0	364.413	1.317	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cnn(-c2ccc(C)cc2)c1C	ZINC000845983240	950268085	/nfs/dbraw/zinc/26/80/85/950268085.db2.gz	XRMQDWHKBUNKQY-UHFFFAOYSA-N	1	0	367.453	1.499	20	30		FDEDRO
C[C@H](CN(C)C(=O)c1ccc(C#N)[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1	ZINC001574754116	950563322	/nfs/dbraw/zinc/56/33/22/950563322.db2.gz	YBKWJEHZQKLIOM-GFCCVEGCSA-N	1	0	364.413	1.317	20	30		FDEDRO
N#Cc1cncc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1	ZINC000846235510	950764999	/nfs/dbraw/zinc/76/49/99/950764999.db2.gz	XHQSBDAGNUXBMH-IMJJTQAJSA-N	1	0	350.444	1.003	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C1CCCC1	ZINC000846352406	950985584	/nfs/dbraw/zinc/98/55/84/950985584.db2.gz	AFZVSFXOMBDLQY-JZXOWHBKSA-N	1	0	361.486	1.136	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O	ZINC001196482753	971706738	/nfs/dbraw/zinc/70/67/38/971706738.db2.gz	SEAGOIXKJQKEOB-QZTJIDSGSA-N	1	0	358.482	1.928	20	30		FDEDRO
C[C@H](CNC(=O)c1ccc(C#N)[nH]1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001575018128	951013820	/nfs/dbraw/zinc/01/38/20/951013820.db2.gz	KYSCMCGIFWYUPV-SNVBAGLBSA-N	1	0	368.376	1.114	20	30		FDEDRO
C=C(Br)C[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2cncn2C)C1	ZINC001091239963	951133982	/nfs/dbraw/zinc/13/39/82/951133982.db2.gz	RFNFQASLVPPQIH-NWINJMCUSA-N	1	0	367.291	1.917	20	30		FDEDRO
N#Cc1cccc(-c2nn[nH]n2)c1N1CC[NH2+][C@@H](Cc2ccc(F)cc2)C1	ZINC001571007010	951197188	/nfs/dbraw/zinc/19/71/88/951197188.db2.gz	ZBHCJYKCTISKCA-INIZCTEOSA-N	1	0	363.400	1.898	20	30		FDEDRO
Cc1nc(N[C@@H]2CCCC[C@H]2NC(=O)COCC[NH+](C)C)ccc1C#N	ZINC001091269230	951254449	/nfs/dbraw/zinc/25/44/49/951254449.db2.gz	MEILXGPNNMZTSM-IAGOWNOFSA-N	1	0	359.474	1.679	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)nn(C)c2OC)C1	ZINC001196518995	971729618	/nfs/dbraw/zinc/72/96/18/971729618.db2.gz	JEUMJYGTMYYTBH-HUUCEWRRSA-N	1	0	352.479	1.482	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nnc3ccccc3c2O)C1	ZINC001196500858	971748645	/nfs/dbraw/zinc/74/86/45/971748645.db2.gz	WPJWPWOIYHYNBE-DAXOMENPSA-N	1	0	356.426	1.465	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@]34C[C@H]3COC4)c2)C1	ZINC001091401275	951576183	/nfs/dbraw/zinc/57/61/83/951576183.db2.gz	XLBBFEJAFSDOIH-CVAIRZPRSA-N	1	0	357.454	1.764	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)c2)C1	ZINC001091404162	951598525	/nfs/dbraw/zinc/59/85/25/951598525.db2.gz	GAKQSSLDCUIQMZ-MVJPYGJCSA-N	1	0	369.465	1.599	20	30		FDEDRO
N=C(Nc1nc(Cl)nc2c1C[N@@H+](C1CC1)CC2)c1ccc(C(N)=O)cc1	ZINC001171253006	951622573	/nfs/dbraw/zinc/62/25/73/951622573.db2.gz	CNGFLVAITFHDLM-UHFFFAOYSA-N	1	0	370.844	1.786	20	30		FDEDRO
C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]CC#Cc1ccccc1	ZINC001575069651	951645577	/nfs/dbraw/zinc/64/55/77/951645577.db2.gz	LJJZSZGLPDBAJU-AWEZNQCLSA-N	1	0	363.425	1.202	20	30		FDEDRO
C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)C#CC1CC1)C1CC1	ZINC001575089486	951751264	/nfs/dbraw/zinc/75/12/64/951751264.db2.gz	GEOGXYFXOXLWLH-SFHVURJKSA-N	1	0	370.482	1.716	20	30		FDEDRO
Cc1cc(N(C)CC2CCN(C(=O)[C@@H](C)C#N)CC2)c(-c2nn[nH]n2)c[nH+]1	ZINC001571052118	951819135	/nfs/dbraw/zinc/81/91/35/951819135.db2.gz	OBDLLDVFHUBDNA-LBPRGKRZSA-N	1	0	368.445	1.405	20	30		FDEDRO
C[C@]12CN(C(=O)C3=COCCO3)C[C@H]1C[N@H+](CC#Cc1ccc(F)cc1)C2	ZINC001091455667	951837441	/nfs/dbraw/zinc/83/74/41/951837441.db2.gz	HVNARERCVFDBNX-UTKZUKDTSA-N	1	0	370.424	1.846	20	30		FDEDRO
C[C@]12CN(C(=O)c3ccc(=O)[nH]n3)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001091456191	951841227	/nfs/dbraw/zinc/84/12/27/951841227.db2.gz	XBFZEEVWCCDFAK-UZLBHIALSA-N	1	0	363.421	1.648	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ccsc4)C[C@]3(C)C2)C1=O	ZINC001091465540	951845101	/nfs/dbraw/zinc/84/51/01/951845101.db2.gz	HNPNTAHMXJYXAP-MDZRGWNJSA-N	1	0	359.495	1.929	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2C[N@H+](Cc3cnnn3-c3ccccc3)C[C@@]2(C)C1	ZINC001091543218	951979412	/nfs/dbraw/zinc/97/94/12/951979412.db2.gz	FYJZDMWFHSXIJL-YRNRMSPPSA-N	1	0	364.453	1.707	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)C(=O)C(C)(C)C)C[C@]3(C)C2)C1=O	ZINC001091551146	952027534	/nfs/dbraw/zinc/02/75/34/952027534.db2.gz	FDJPQBGDJQRBDE-SIFCLUCFSA-N	1	0	361.486	1.169	20	30		FDEDRO
C[C@]12CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]1C[N@H+](CCO[C@@H]1CC1(F)F)C2	ZINC001091574288	952110345	/nfs/dbraw/zinc/11/03/45/952110345.db2.gz	CMAOKCJKONTWQO-UNEWFSDZSA-N	1	0	364.396	1.704	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3CCNC(=O)C3)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001091591340	952175342	/nfs/dbraw/zinc/17/53/42/952175342.db2.gz	URQCUVULQNKMKD-KLHJMIIUSA-N	1	0	366.465	1.365	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3CCNC(=O)C3)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001091590210	952194560	/nfs/dbraw/zinc/19/45/60/952194560.db2.gz	IRGPYHBUTINIMT-JQVVWYNYSA-N	1	0	365.477	1.345	20	30		FDEDRO
Cn1cnc(C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@@]3(C)C2)c1	ZINC001091597647	952196671	/nfs/dbraw/zinc/19/66/71/952196671.db2.gz	FNWSQYRUDMIPSL-ACJLOTCBSA-N	1	0	355.467	1.947	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)Cc4cccnc4)C[C@]3(C)C2)C1=O	ZINC001091600571	952217207	/nfs/dbraw/zinc/21/72/07/952217207.db2.gz	WXDLVEKFZRIBNO-OPYAIIAOSA-N	1	0	368.481	1.191	20	30		FDEDRO
CC1CC[NH+](CC(=O)NC[C@H]2CC[C@@H](Nc3ccnc(C#N)n3)C2)CC1	ZINC001091601376	952221033	/nfs/dbraw/zinc/22/10/33/952221033.db2.gz	PDRCQEMPEWRLEV-JKSUJKDBSA-N	1	0	356.474	1.199	20	30		FDEDRO
CN1CCOC[C@@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@]2(C)C1	ZINC001091612546	952295808	/nfs/dbraw/zinc/29/58/08/952295808.db2.gz	XBZOTMRNGVQEBK-SBHAEUEKSA-N	1	0	368.481	1.169	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)Cc4ccoc4)C[C@]3(C)C2)C1=O	ZINC001091620408	952335219	/nfs/dbraw/zinc/33/52/19/952335219.db2.gz	ZFPGFVFQJVCVPW-HLIPFELVSA-N	1	0	357.454	1.389	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)/C=C\c4ccc[nH]4)C[C@]3(C)C2)C1=O	ZINC001091625512	952353224	/nfs/dbraw/zinc/35/32/24/952353224.db2.gz	XHZBGUMDJANCQO-UNGYTHKISA-N	1	0	368.481	1.595	20	30		FDEDRO
Cc1cc(N[C@@H]2CC[C@H](CNC(=O)C[N@H+]3CCC[C@H]3C)C2)c(C#N)cn1	ZINC001091632057	952399811	/nfs/dbraw/zinc/39/98/11/952399811.db2.gz	DKHKLIHMZLZGDR-SOLBZPMBSA-N	1	0	355.486	1.865	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3ccncc3)C2)C1	ZINC001147583970	952444344	/nfs/dbraw/zinc/44/43/44/952444344.db2.gz	ZJHMWBPGJIIHJZ-BPQIPLTHSA-N	1	0	368.481	1.410	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@@]2(C)C1	ZINC001091679871	952624583	/nfs/dbraw/zinc/62/45/83/952624583.db2.gz	OVBORMQXDWRXKA-PYQAKABTSA-N	1	0	361.486	1.027	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](CNc2ccc(C#N)nn2)C1	ZINC001091691384	952644700	/nfs/dbraw/zinc/64/47/00/952644700.db2.gz	YBYLIBKQHBKJER-ZBFHGGJFSA-N	1	0	356.474	1.729	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN(C(=O)C4CC4)C3)C[C@]2(C)C1	ZINC001091695171	952651129	/nfs/dbraw/zinc/65/11/29/952651129.db2.gz	AFTGUYRAWVCMKZ-UEXGIBASSA-N	1	0	359.514	1.991	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)C[C@]2(C)C1	ZINC001091695178	952651225	/nfs/dbraw/zinc/65/12/25/952651225.db2.gz	ASODDXQSLSDPTD-OPYAIIAOSA-N	1	0	357.498	1.439	20	30		FDEDRO
CN1C[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@@]3(C)C2)CC1=O	ZINC001091714918	952709731	/nfs/dbraw/zinc/70/97/31/952709731.db2.gz	NJAZXYXBXQWTKD-OPYAIIAOSA-N	1	0	366.465	1.317	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@]2(C)C1	ZINC001091763160	952847784	/nfs/dbraw/zinc/84/77/84/952847784.db2.gz	CNRJYRGPLKDBAG-XIKOKIGWSA-N	1	0	371.466	1.951	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)N2CCC(C)CC2)C1	ZINC001196710239	971876055	/nfs/dbraw/zinc/87/60/55/971876055.db2.gz	WYQCKIDQQYOSHQ-IAGOWNOFSA-N	1	0	353.507	1.377	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc(C)s3)C2)nc1	ZINC001086856223	952902505	/nfs/dbraw/zinc/90/25/05/952902505.db2.gz	OHVMZHHGKILCFG-LSDHHAIUSA-N	1	0	355.467	1.911	20	30		FDEDRO
CCN1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1	ZINC001086880890	952911487	/nfs/dbraw/zinc/91/14/87/952911487.db2.gz	UNQCBXYMMAZZQE-ZCNNSNEGSA-N	1	0	370.497	1.653	20	30		FDEDRO
CCN1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)C1	ZINC001086880792	952911550	/nfs/dbraw/zinc/91/15/50/952911550.db2.gz	OXFZDNPWPXRIGJ-XUVXKRRUSA-N	1	0	370.497	1.653	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(=O)n(CCC)n2)C1	ZINC001086872761	952921826	/nfs/dbraw/zinc/92/18/26/952921826.db2.gz	YEQYTUNIGSUQDV-UONOGXRCSA-N	1	0	352.866	1.894	20	30		FDEDRO
C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C2)CC1	ZINC001086942042	952945082	/nfs/dbraw/zinc/94/50/82/952945082.db2.gz	HGIHJDRJSXYJFC-IXDOHACOSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C2)CC1	ZINC001086933025	952947155	/nfs/dbraw/zinc/94/71/55/952947155.db2.gz	BAKKCFSMYNMEJI-BBWFWOEESA-N	1	0	363.502	1.689	20	30		FDEDRO
COCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1	ZINC001086959364	952955898	/nfs/dbraw/zinc/95/58/98/952955898.db2.gz	ATIYOJJPQWMNLA-FUHWJXTLSA-N	1	0	371.416	1.161	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001086971141	952973387	/nfs/dbraw/zinc/97/33/87/952973387.db2.gz	ZLGWDEGEJRXQQM-MDASCCDHSA-N	1	0	362.437	1.536	20	30		FDEDRO
Cc1oncc1C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1cnn(C)c1	ZINC001086978412	952990439	/nfs/dbraw/zinc/99/04/39/952990439.db2.gz	VLRTWADHQPCNEJ-ZWKOTPCHSA-N	1	0	353.426	1.214	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cn(C3CCC3)nn2)C[C@H]1c1cnn(C)c1	ZINC001086978966	952991801	/nfs/dbraw/zinc/99/18/01/952991801.db2.gz	BHCACMQKGAHSSM-DLBZAZTESA-N	1	0	369.473	1.511	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC2CC2)C1	ZINC001086979612	952993217	/nfs/dbraw/zinc/99/32/17/952993217.db2.gz	JAQJRAVAECTAAQ-HCXYKTFWSA-N	1	0	358.486	1.695	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2Cc3ccccc3O2)C[C@H]1c1cnn(C)c1	ZINC001086979710	952993616	/nfs/dbraw/zinc/99/36/16/952993616.db2.gz	NTHQBQJELGUMMP-GBESFXJTSA-N	1	0	366.465	1.884	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCC2CC2)C1	ZINC001086983154	952996646	/nfs/dbraw/zinc/99/66/46/952996646.db2.gz	ZQAHFAGHFSAHIS-ZCNNSNEGSA-N	1	0	369.513	1.202	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnc3[nH]ccc3c2)C[C@H]1c1cnn(C)c1	ZINC001086983596	952997622	/nfs/dbraw/zinc/99/76/22/952997622.db2.gz	YPJCIGRSOVFDMK-DLBZAZTESA-N	1	0	350.426	1.632	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)C[C@@H](C)CC3)C[C@H]1c1cnn(C)c1	ZINC001086983984	952998388	/nfs/dbraw/zinc/99/83/88/952998388.db2.gz	SLXPFDUDSWEOAS-BHYGNILZSA-N	1	0	368.485	1.583	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cccnc2)C[C@H]1c1cnn(C)c1	ZINC001086985517	953003054	/nfs/dbraw/zinc/00/30/54/953003054.db2.gz	OBANYAQCOJRIGX-ZWKOTPCHSA-N	1	0	351.454	1.310	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2-c2ccoc2)C[C@H]1c1cnn(C)c1	ZINC001086988826	953013227	/nfs/dbraw/zinc/01/32/27/953013227.db2.gz	UBXFEJNFWYBWER-DLBZAZTESA-N	1	0	364.409	1.234	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccnn2C)C[C@H]1c1cnn(C)c1	ZINC001086989095	953013302	/nfs/dbraw/zinc/01/33/02/953013302.db2.gz	HVGNAFBDJLFSRV-WCXIOVBPSA-N	1	0	354.458	1.027	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(F)ccc2OC)C[C@H]1c1cnn(C)c1	ZINC001086989508	953014906	/nfs/dbraw/zinc/01/49/06/953014906.db2.gz	FISOXBFRUBUINK-DLBZAZTESA-N	1	0	356.401	1.399	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCCC2CCCC2)C[C@H]1O	ZINC001196691537	971890190	/nfs/dbraw/zinc/89/01/90/971890190.db2.gz	GRPKYFCJEWJJIT-IPMKNSEASA-N	1	0	365.518	1.589	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccnn2C(F)F)C[C@H]1c1cnn(C)c1	ZINC001086981024	953031411	/nfs/dbraw/zinc/03/14/11/953031411.db2.gz	KJLCNPHIYIEXQW-QWHCGFSZSA-N	1	0	350.373	1.396	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccnn2[C@@H](C)CC)C[C@H]1c1cnn(C)c1	ZINC001086981574	953032910	/nfs/dbraw/zinc/03/29/10/953032910.db2.gz	QYGBCPGRNDKRES-BHYGNILZSA-N	1	0	354.458	1.419	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc3c(o2)CCCC3)C[C@H]1c1cnn(C)c1	ZINC001086982084	953034360	/nfs/dbraw/zinc/03/43/60/953034360.db2.gz	SKJIRNRTOOHDKG-DLBZAZTESA-N	1	0	352.438	1.723	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ncnc3ccsc32)C[C@H]1c1cnn(C)c1	ZINC001086982001	953034450	/nfs/dbraw/zinc/03/44/50/953034450.db2.gz	ORUNVOSVJJWDDT-DZGCQCFKSA-N	1	0	366.450	1.256	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccc3c2OCC3)C[C@H]1c1cnn(C)c1	ZINC001086997926	953041806	/nfs/dbraw/zinc/04/18/06/953041806.db2.gz	IKHPHOBVIGHUHR-ZWKOTPCHSA-N	1	0	352.438	1.739	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnnc3ccccc32)C[C@H]1c1cnn(C)c1	ZINC001086999012	953045084	/nfs/dbraw/zinc/04/50/84/953045084.db2.gz	OMPNIXHLPTYRNO-PKOBYXMFSA-N	1	0	360.421	1.194	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccn(C(C)C)n2)C[C@H]1c1cnn(C)c1	ZINC001087000008	953048564	/nfs/dbraw/zinc/04/85/64/953048564.db2.gz	BNTBHCSLTQSBQX-FUHWJXTLSA-N	1	0	356.474	1.971	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]cn2)C[C@H]1c1cnn(C)c1	ZINC001087001335	953054631	/nfs/dbraw/zinc/05/46/31/953054631.db2.gz	ORULNOYSBJOLOW-JCGIZDLHSA-N	1	0	356.474	1.482	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccccc2COC)C[C@H]1c1cnn(C)c1	ZINC001087001328	953054731	/nfs/dbraw/zinc/05/47/31/953054731.db2.gz	OHKLVPKYYDDWQW-VQTJNVASSA-N	1	0	366.465	1.326	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2oc(CC(C)C)nc2C)C[C@H]1c1cnn(C)c1	ZINC001087001384	953054889	/nfs/dbraw/zinc/05/48/89/953054889.db2.gz	RMTUYWVVDGGMHV-DLBZAZTESA-N	1	0	369.469	1.746	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2c(C)noc2Cl)C[C@H]1c1cnn(C)c1	ZINC001087001890	953056527	/nfs/dbraw/zinc/05/65/27/953056527.db2.gz	UTWWVFSTJSQSJF-LSDHHAIUSA-N	1	0	363.849	1.683	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2c(C)n[nH]c2C)C[C@H]1c1cnn(C)c1	ZINC001087002260	953057591	/nfs/dbraw/zinc/05/75/91/953057591.db2.gz	QAIOLQGZJIQWQO-AFAVFJNCSA-N	1	0	354.458	1.081	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc(F)c2OCC)C[C@H]1c1cnn(C)c1	ZINC001087003534	953059748	/nfs/dbraw/zinc/05/97/48/953059748.db2.gz	BJGFAZFZGDMOLF-FUHWJXTLSA-N	1	0	370.428	1.789	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3c2C[C@@H](C)CC3)C[C@H]1c1cnn(C)c1	ZINC001087004057	953061271	/nfs/dbraw/zinc/06/12/71/953061271.db2.gz	CZKHXVDFMGSLSP-QANKJYHBSA-N	1	0	368.485	1.652	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3n[nH]cc3C2)C[C@H]1c1cnn(C)c1	ZINC001087005868	953065971	/nfs/dbraw/zinc/06/59/71/953065971.db2.gz	XZCUHPSQULZWCN-RPVQJOFSSA-N	1	0	354.458	1.018	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C2CC2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1OC	ZINC001087015409	953070437	/nfs/dbraw/zinc/07/04/37/953070437.db2.gz	JNAYSMKEGUVUQG-IEBWSBKVSA-N	1	0	357.454	1.930	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnn3c2C[C@H](C)CC3)C[C@H]1c1cnn(C)c1	ZINC001087007821	953093937	/nfs/dbraw/zinc/09/39/37/953093937.db2.gz	YGZWJUCROCLDDL-FHLIZLRMSA-N	1	0	368.485	1.583	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3ccccc32)C[C@H]1c1cnn(C)c1	ZINC001087008188	953094960	/nfs/dbraw/zinc/09/49/60/953094960.db2.gz	RKLMDWJRYQTCAL-DOTOQJQBSA-N	1	0	350.426	1.680	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2cccc(C)c2)C[C@H]1c1cnn(C)c1	ZINC001087008642	953095985	/nfs/dbraw/zinc/09/59/85/953095985.db2.gz	QLARUXSNSTZBDX-FFZOFVMBSA-N	1	0	366.465	1.713	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3nccnc3c2)C[C@H]1c1cnn(C)c1	ZINC001087008708	953096323	/nfs/dbraw/zinc/09/63/23/953096323.db2.gz	ULHXSGLWRSRUCJ-QFBILLFUSA-N	1	0	360.421	1.194	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH]nc3C2)C[C@H]1c1cnn(C)c1	ZINC001087010092	953100795	/nfs/dbraw/zinc/10/07/95/953100795.db2.gz	LFGNNLSKMIKHPC-DKSSEZFCSA-N	1	0	368.485	1.408	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)c2)C[C@H]1c1cnn(C)c1	ZINC001087010873	953102192	/nfs/dbraw/zinc/10/21/92/953102192.db2.gz	VUOJTSYKYPOHIX-ZWKOTPCHSA-N	1	0	356.474	1.247	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C2(c3cccc(C)c3)CC2)C[C@H]1c1cnn(C)c1	ZINC001087011464	953103891	/nfs/dbraw/zinc/10/38/91/953103891.db2.gz	YSCJCUVNVXGIDS-VQTJNVASSA-N	1	0	362.477	1.978	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)n2nc(C)cc2C)C[C@H]1c1cnn(C)c1	ZINC001087011915	953104884	/nfs/dbraw/zinc/10/48/84/953104884.db2.gz	XCQJJEIQJFHHLX-BPQIPLTHSA-N	1	0	356.474	1.565	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cnsn2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087031049	953125681	/nfs/dbraw/zinc/12/56/81/953125681.db2.gz	IARHLSWEWIQBQF-NVXWUHKLSA-N	1	0	371.466	1.677	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cnns2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087031169	953126509	/nfs/dbraw/zinc/12/65/09/953126509.db2.gz	NSOBTUUUDHPEQY-HZPDHXFCSA-N	1	0	371.466	1.677	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)OC)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001087032058	953129948	/nfs/dbraw/zinc/12/99/48/953129948.db2.gz	WQUHAZDPEOVXHH-MZMPZRCHSA-N	1	0	363.433	1.685	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H]2CCCOC2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087033177	953133453	/nfs/dbraw/zinc/13/34/53/953133453.db2.gz	KROJXGKEXJGSMC-XUVXKRRUSA-N	1	0	371.481	1.938	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087024102	953140516	/nfs/dbraw/zinc/14/05/16/953140516.db2.gz	NYFOMEZNMIZWIG-IEBWSBKVSA-N	1	0	367.453	1.559	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1nc(C)oc1C	ZINC001087039713	953155896	/nfs/dbraw/zinc/15/58/96/953155896.db2.gz	AUGWNFQMDVLGNB-CRAIPNDOSA-N	1	0	371.441	1.758	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001087052862	953184457	/nfs/dbraw/zinc/18/44/57/953184457.db2.gz	OGRNJUZYIHZIDQ-NVXWUHKLSA-N	1	0	371.416	1.687	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1cc(C)ncn1	ZINC001087045985	953192817	/nfs/dbraw/zinc/19/28/17/953192817.db2.gz	CVSRHGXGGCYTTI-RDTXWAMCSA-N	1	0	368.441	1.252	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1nccnc1C	ZINC001087046776	953194515	/nfs/dbraw/zinc/19/45/15/953194515.db2.gz	AJDRVLHXGZZNOH-CRAIPNDOSA-N	1	0	368.441	1.252	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]Cc2cnn(C)c2)[C@H](OCC)C1	ZINC001087059899	953202466	/nfs/dbraw/zinc/20/24/66/953202466.db2.gz	ZTGNHZLGLBUVSJ-IEBWSBKVSA-N	1	0	371.485	1.675	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc([C@H]3CCCO3)s2)C1	ZINC001196749253	971908341	/nfs/dbraw/zinc/90/83/41/971908341.db2.gz	ORNJSINNWNRPRV-MGPQQGTHSA-N	1	0	351.472	1.736	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnccc2C)[C@H](OCC)C1	ZINC001087085619	953246792	/nfs/dbraw/zinc/24/67/92/953246792.db2.gz	ODMRYANFHAYSEG-YSTOQKLRSA-N	1	0	373.497	1.934	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccns2)[C@H](OCC)C1	ZINC001087085808	953247117	/nfs/dbraw/zinc/24/71/17/953247117.db2.gz	YNGXLDZAYPOGTM-MXASKKJJSA-N	1	0	365.499	1.687	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)C2CCOCC2)C1=O	ZINC001087108489	953278965	/nfs/dbraw/zinc/27/89/65/953278965.db2.gz	UFBVJGFMWXFCCE-BPQIPLTHSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nccs3)[C@H](OCC)C2)nc1	ZINC001087097559	953284800	/nfs/dbraw/zinc/28/48/00/953284800.db2.gz	XFSYOVWCCKRDNP-NVXWUHKLSA-N	1	0	370.478	1.786	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)c3coc(S(N)(=O)=O)c3)C[C@]2(C)C1	ZINC001091794787	953319435	/nfs/dbraw/zinc/31/94/35/953319435.db2.gz	CWASPMPYNJSPCN-PBHICJAKSA-N	1	0	367.471	1.287	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cnc4ccc(OC)nn43)C[C@]2(C)C1	ZINC001091796937	953323708	/nfs/dbraw/zinc/32/37/08/953323708.db2.gz	GHTKRPNXDDYHMQ-KUHUBIRLSA-N	1	0	353.426	1.155	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)[C@H]2CC)n1	ZINC001091808154	953339394	/nfs/dbraw/zinc/33/93/94/953339394.db2.gz	SORVRRPMBPKONG-JKSUJKDBSA-N	1	0	370.501	1.868	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@H]3CCC(=O)NC3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001091809693	953342985	/nfs/dbraw/zinc/34/29/85/953342985.db2.gz	PXSYAQZRUANZFZ-OPYAIIAOSA-N	1	0	366.465	1.365	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)c4cn[nH]n4)C[C@]3(C)C2)cc1C#N	ZINC001091809941	953343409	/nfs/dbraw/zinc/34/34/09/953343409.db2.gz	BLALEIGDQXBMRK-BEFAXECRSA-N	1	0	366.425	1.279	20	30		FDEDRO
C[C@]12C[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@]1(C)C(=O)NC2=O	ZINC001196833665	971932426	/nfs/dbraw/zinc/93/24/26/971932426.db2.gz	UCZDDYQPCMPPAW-QZTJIDSGSA-N	1	0	374.828	1.525	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1C[C@H]2CCN(c3cnc(C#N)cn3)C[C@H]2C1	ZINC001091859644	953580572	/nfs/dbraw/zinc/58/05/72/953580572.db2.gz	PVGGBIFFFOWCJA-CVEARBPZSA-N	1	0	356.474	1.365	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CCN(c3ccnc(C#N)n3)C[C@H]2C1	ZINC001091865064	953607297	/nfs/dbraw/zinc/60/72/97/953607297.db2.gz	CHSWBJGSGCIWCL-CABCVRRESA-N	1	0	356.474	1.363	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CCN(c3ccc(C#N)cn3)C[C@H]2C1	ZINC001091865176	953608445	/nfs/dbraw/zinc/60/84/45/953608445.db2.gz	GGWWONKMNWPOAB-SJORKVTESA-N	1	0	355.486	1.968	20	30		FDEDRO
Cc1nsc(N2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@@H]3C2)c1C#N	ZINC001091868290	953618777	/nfs/dbraw/zinc/61/87/77/953618777.db2.gz	MVILKELEDNOZSV-CABCVRRESA-N	1	0	361.515	1.950	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCOc2ccccc2)C[C@H]1O	ZINC001196819423	971942924	/nfs/dbraw/zinc/94/29/24/971942924.db2.gz	IYEWMKLQMLNWDJ-NMLBUPMWSA-N	1	0	374.481	1.598	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+]([C@@H]4CCCN(C)C4=O)C[C@@]3(C)C2)cc1	ZINC001091907338	953683967	/nfs/dbraw/zinc/68/39/67/953683967.db2.gz	UURGNJLQTQRDQF-KNKQGSTJSA-N	1	0	365.477	1.683	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)C3(n4cnnn4)CCCCC3)C[C@]2(C)C1	ZINC001091910505	953695827	/nfs/dbraw/zinc/69/58/27/953695827.db2.gz	ZMPGHYAONACIOO-AEFFLSMTSA-N	1	0	356.474	1.136	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@H]3CCNC3=O)C[C@H]1C[N@H+](Cc1ccc(C#N)s1)C2	ZINC001091910523	953695930	/nfs/dbraw/zinc/69/59/30/953695930.db2.gz	ADKJCRHOUAHETD-DWQUBVKVSA-N	1	0	358.467	1.036	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@H]2C[N@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1	ZINC001091917610	953709246	/nfs/dbraw/zinc/70/92/46/953709246.db2.gz	ZEXJAKAXRSNLAP-FCEWJHQRSA-N	1	0	368.543	1.804	20	30		FDEDRO
CN1C(=O)CC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@]2(C)C1	ZINC001091919578	953711001	/nfs/dbraw/zinc/71/10/01/953711001.db2.gz	IXDHZQMFVHGSMX-LQWHRVPQSA-N	1	0	366.465	1.459	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@]3(F)CCOC3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001091951147	953825036	/nfs/dbraw/zinc/82/50/36/953825036.db2.gz	OBKDRTPBCHVYOR-YZGWKJHDSA-N	1	0	357.429	1.967	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCN(CC(F)(F)F)C3)C[C@]2(C)C1	ZINC001091956491	953847550	/nfs/dbraw/zinc/84/75/50/953847550.db2.gz	AWYOADJFBSQHKA-UXLLHSPISA-N	1	0	357.420	1.674	20	30		FDEDRO
CC[NH+](CC)[C@H](C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)[C@@H]1C)C(C)C	ZINC001091998573	953920550	/nfs/dbraw/zinc/92/05/50/953920550.db2.gz	VCMMYGQYGZKKSO-HFTRVMKXSA-N	1	0	358.490	1.798	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cnnc3)cc2)C1	ZINC001196926540	971974049	/nfs/dbraw/zinc/97/40/49/971974049.db2.gz	ZADHLBIDCFJWKO-ZTFGCOKTSA-N	1	0	355.442	1.397	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3c4n(c(=O)n3C)CCCC4)C[C@]2(C)C1	ZINC001092012359	954049012	/nfs/dbraw/zinc/04/90/12/954049012.db2.gz	XRIGFLCITOBXTD-QRWLVFNGSA-N	1	0	358.486	1.493	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1CCN(c2ncc(C#N)cc2F)[C@@H]1C	ZINC001092018262	954077856	/nfs/dbraw/zinc/07/78/56/954077856.db2.gz	QYIQQDDDVSMFIC-KCXAZCMYSA-N	1	0	365.428	1.856	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cncc(N4CCCC4)n3)C[C@]2(C)C1	ZINC001092074221	954213741	/nfs/dbraw/zinc/21/37/41/954213741.db2.gz	SGBWDYZPHWIVLY-UZLBHIALSA-N	1	0	353.470	1.494	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3C[N@H+](C[C@H]4CCCCO4)C[C@@]3(C)C2)nn1	ZINC001092078795	954224563	/nfs/dbraw/zinc/22/45/63/954224563.db2.gz	CFLXNEWIBSGWKA-MDZRGWNJSA-N	1	0	359.474	1.427	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCc3cnn(C)c3)C[C@H]21	ZINC000961997302	1013123975	/nfs/dbraw/zinc/12/39/75/1013123975.db2.gz	ZICAZIHPRCNBNA-QTMHVTGLSA-N	1	0	358.486	1.380	20	30		FDEDRO
C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]3CC)C[C@]2(C)C1	ZINC001092182982	954477324	/nfs/dbraw/zinc/47/73/24/954477324.db2.gz	ZSMYJFRWMZFZCS-RKVPGOIHSA-N	1	0	353.894	1.920	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)Cc3cccc(NC(C)=O)c3)C[C@]2(C)C1	ZINC001092217512	954548701	/nfs/dbraw/zinc/54/87/01/954548701.db2.gz	KXCVWOPJHRYDGL-NQIIRXRSSA-N	1	0	353.466	1.991	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3c(C(F)(F)F)cnn3C)C[C@]2(C)C1	ZINC001092242188	954602507	/nfs/dbraw/zinc/60/25/07/954602507.db2.gz	HGDWGQGXAUULLC-WBMJQRKESA-N	1	0	354.376	1.856	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN(C(=O)CCC)C3)C[C@]2(C)C1	ZINC001092297301	954734513	/nfs/dbraw/zinc/73/45/13/954734513.db2.gz	STNGWCNMFCHKFV-UEXGIBASSA-N	1	0	359.514	1.829	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CN(c3ccc(C#N)cn3)C[C@@]2(C)C1	ZINC001092300807	954750443	/nfs/dbraw/zinc/75/04/43/954750443.db2.gz	IDPRMLPAVNJBGE-UZLBHIALSA-N	1	0	355.486	1.968	20	30		FDEDRO
CC[C@@H](C(=O)N1C[C@H]2CN(c3ccc(C#N)nn3)C[C@@]2(C)C1)[NH+](CC)CC	ZINC001092307508	954775773	/nfs/dbraw/zinc/77/57/73/954775773.db2.gz	ZEDNUXBLUGMKAT-SYNHAJSKSA-N	1	0	370.501	1.753	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N1C[C@H]2CN(c3cnc(C#N)cn3)C[C@@]2(C)C1	ZINC001092293456	954900207	/nfs/dbraw/zinc/90/02/07/954900207.db2.gz	JBVSFUTUBRSACX-BEFAXECRSA-N	1	0	356.474	1.365	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCO2)[C@H](C)C1	ZINC001092449213	955082208	/nfs/dbraw/zinc/08/22/08/955082208.db2.gz	NEALEPFVMIUVMD-BJZITVGISA-N	1	0	357.454	1.930	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@@H](CNC(=O)C[N@H+]3CC[C@@H](C)C3)[C@H](C)C2)n1	ZINC001092444348	955115028	/nfs/dbraw/zinc/11/50/28/955115028.db2.gz	CRTLPERDYAEAKK-IIDMSEBBSA-N	1	0	355.486	1.792	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CN(c3ncc(C#N)cc3F)C[C@H]2C)C1	ZINC001092444873	955117635	/nfs/dbraw/zinc/11/76/35/955117635.db2.gz	KHKWZFZWXXVWRG-SQWLQELKSA-N	1	0	359.449	1.623	20	30		FDEDRO
C[C@@H]1CN(c2ncccc2C#N)C[C@H]1CNC(=O)C[N@@H+]1CCC(C)(C)C1	ZINC001092446374	955123587	/nfs/dbraw/zinc/12/35/87/955123587.db2.gz	SXCPTBAQAJUSLX-NVXWUHKLSA-N	1	0	355.486	1.874	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)c1ccc(=O)[nH]n1	ZINC001092447091	955126860	/nfs/dbraw/zinc/12/68/60/955126860.db2.gz	HQUFPFFWXAFVMH-VXGBXAGGSA-N	1	0	357.439	1.613	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)c1ccc(=O)[nH]n1	ZINC001092447357	955129715	/nfs/dbraw/zinc/12/97/15/955129715.db2.gz	USIRVSVKKIOFCH-CZUORRHYSA-N	1	0	351.410	1.552	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H](CNC(=O)[C@@H](C3CC3)[NH+](C)C)[C@H](C)C2)n1	ZINC001092415922	955147364	/nfs/dbraw/zinc/14/73/64/955147364.db2.gz	KEHBOUOXESZVTN-ZXYWRSMDSA-N	1	0	370.501	1.439	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3ccnc(F)c3)[C@H](C)C2)C1=O	ZINC001092498230	955265201	/nfs/dbraw/zinc/26/52/01/955265201.db2.gz	UIHKKDOMXXRPNF-BMFZPTHFSA-N	1	0	360.433	1.305	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)c1nccnc1N	ZINC001092514744	955298574	/nfs/dbraw/zinc/29/85/74/955298574.db2.gz	YFKGMRSMLFQIDJ-CZUORRHYSA-N	1	0	350.426	1.428	20	30		FDEDRO
C[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC001092553480	955416812	/nfs/dbraw/zinc/41/68/12/955416812.db2.gz	FWIVRSXQZWYABX-KYOSRNDESA-N	1	0	352.385	1.608	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1COCCN1C	ZINC001092555710	955431238	/nfs/dbraw/zinc/43/12/38/955431238.db2.gz	VGANJOSIQBKGPE-MISYRCLQSA-N	1	0	355.482	1.053	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)NCC[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C	ZINC001092533367	955502771	/nfs/dbraw/zinc/50/27/71/955502771.db2.gz	NJGBQYPLDSVNIR-HZPDHXFCSA-N	1	0	358.490	1.659	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)NCC[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C	ZINC001092533313	955502922	/nfs/dbraw/zinc/50/29/22/955502922.db2.gz	KSCCJLBLQNLEPR-HZPDHXFCSA-N	1	0	358.490	1.659	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CCNC(=O)C[N@H+](C)C1CCC1	ZINC001092595100	955588168	/nfs/dbraw/zinc/58/81/68/955588168.db2.gz	AGQUVJHSCGXBJI-HUUCEWRRSA-N	1	0	356.474	1.411	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C	ZINC001092595468	955589565	/nfs/dbraw/zinc/58/95/65/955589565.db2.gz	RGRXDZPKXMWRMH-NUJGCVRESA-N	1	0	370.501	1.801	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CCNC(=O)C[N@H+](C)C1CCC1	ZINC001092595436	955589630	/nfs/dbraw/zinc/58/96/30/955589630.db2.gz	PJUSMRJIWQRSGB-HUUCEWRRSA-N	1	0	356.474	1.411	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CCNC(=O)C12CCC[NH+]1CCC2	ZINC001092604648	955640340	/nfs/dbraw/zinc/64/03/40/955640340.db2.gz	IUQCPHCCEAJYNO-HZPDHXFCSA-N	1	0	368.485	1.555	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1CNC(=O)c1cnnn1C	ZINC001092579117	955709431	/nfs/dbraw/zinc/70/94/31/955709431.db2.gz	WMNRGEVEYZIZAT-GDBMZVCRSA-N	1	0	371.872	1.818	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cc(C)n(C)n2)C[C@H]1C	ZINC001092617177	955829010	/nfs/dbraw/zinc/82/90/10/955829010.db2.gz	FLWNGYQATSQCHJ-OPNNQBFTSA-N	1	0	360.502	1.894	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cnc(C)nc2)C[C@H]1C	ZINC001092617191	955830136	/nfs/dbraw/zinc/83/01/36/955830136.db2.gz	GIPSJZPIUPLYAZ-AXUOBQJMSA-N	1	0	358.486	1.950	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](CNc2cncc(C#N)n2)[C@H](C)C1	ZINC001092661743	955937298	/nfs/dbraw/zinc/93/72/98/955937298.db2.gz	DTGWQGVLLQLVGS-FMKPAKJESA-N	1	0	362.453	1.535	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1C	ZINC001092677931	955996874	/nfs/dbraw/zinc/99/68/74/955996874.db2.gz	QSOCDYTUINGAGE-ZACQAIPSSA-N	1	0	368.485	1.751	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1N(c1nccnc1C#N)CC2	ZINC001092700733	956089826	/nfs/dbraw/zinc/08/98/26/956089826.db2.gz	KCHSDYSMWGDSAB-YLJYHZDGSA-N	1	0	370.501	1.945	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3cc(C)cc(C)n3)[C@H](C)C2)C1=O	ZINC001092757676	956289280	/nfs/dbraw/zinc/28/92/80/956289280.db2.gz	FSAQQGWGROENMB-SUMDDJOVSA-N	1	0	370.497	1.783	20	30		FDEDRO
C#CCN1CCN(C(=O)CN2CCN(Cc3ccc(CC)cc3)CC2)CC1	ZINC001197351665	972203763	/nfs/dbraw/zinc/20/37/63/972203763.db2.gz	YJLOMCTTYQMMGL-UHFFFAOYSA-N	1	0	368.525	1.144	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)c1c[nH]c(=O)cn1	ZINC001092921159	956791640	/nfs/dbraw/zinc/79/16/40/956791640.db2.gz	QNTROSBPNVGMQX-CZUORRHYSA-N	1	0	351.410	1.139	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@@H]1CCCCC(=O)N1	ZINC001092959373	956909584	/nfs/dbraw/zinc/90/95/84/956909584.db2.gz	GLQIQWFOQVBZJS-LZQZEXGQSA-N	1	0	368.481	1.801	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N	ZINC001092926649	956931267	/nfs/dbraw/zinc/93/12/67/956931267.db2.gz	IXICBWRUFNUJIN-AIANPOQGSA-N	1	0	354.458	1.449	20	30		FDEDRO
CCc1nc(C#N)cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C3)n1	ZINC001092994695	957083204	/nfs/dbraw/zinc/08/32/04/957083204.db2.gz	SSWDKJKZONMSEZ-OAFZBRQQSA-N	1	0	370.501	1.723	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H](CNC(=O)c3ccnnc3)[C@H](C)C2)cc1C#N	ZINC001092999339	957099978	/nfs/dbraw/zinc/09/99/78/957099978.db2.gz	HLBSKOXQRXRITB-RDTXWAMCSA-N	1	0	365.437	1.855	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nc1	ZINC001093018491	957142436	/nfs/dbraw/zinc/14/24/36/957142436.db2.gz	HYLZLBVZBPXOSW-DDBAPUKQSA-N	1	0	359.449	1.859	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1	ZINC001093019169	957146341	/nfs/dbraw/zinc/14/63/41/957146341.db2.gz	WQWNQWKVNDVFTM-QXSJWSMHSA-N	1	0	360.437	1.254	20	30		FDEDRO
COc1cncc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)n1	ZINC001093027210	957174746	/nfs/dbraw/zinc/17/47/46/957174746.db2.gz	QDUXSRZGQOHNPZ-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
Cc1nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@@H+](C)C2CCC2)C3)ccc1C#N	ZINC001093057597	957277546	/nfs/dbraw/zinc/27/75/46/957277546.db2.gz	IKJIKQWISJGSMA-KURKYZTESA-N	1	0	353.470	1.972	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1	ZINC001093057714	957278046	/nfs/dbraw/zinc/27/80/46/957278046.db2.gz	RQFWCTGXKYDXHK-JJXSEGSLSA-N	1	0	354.458	1.449	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2CN(c2ccnc(C#N)n2)C3)CC1	ZINC001093105039	957460657	/nfs/dbraw/zinc/46/06/57/957460657.db2.gz	UTFUFLLLEXBPHP-LIRRHRJNSA-N	1	0	354.458	1.165	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2nccnc2C#N)C1	ZINC001093113769	957551580	/nfs/dbraw/zinc/55/15/80/957551580.db2.gz	FVRLWZNFAGYFCM-DGCLKSJQSA-N	1	0	370.379	1.491	20	30		FDEDRO
Cc1cc(C(=O)N2CCN(c3nccnc3C#N)CC2)nn1-c1cc[nH+]cc1	ZINC001197534266	972278108	/nfs/dbraw/zinc/27/81/08/972278108.db2.gz	UDIBOKKTCSQJNK-UHFFFAOYSA-N	1	0	374.408	1.200	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@@H](C)C(=O)NC3CC3)C[C@H]2C)cn1	ZINC001093139621	957633629	/nfs/dbraw/zinc/63/36/29/957633629.db2.gz	MHKIUFBBUZVNED-IJEWVQPXSA-N	1	0	354.454	1.028	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@H]2C)nc1	ZINC001093140760	957637335	/nfs/dbraw/zinc/63/73/35/957637335.db2.gz	KBZOXSTWAVYXDQ-NVXWUHKLSA-N	1	0	351.454	1.337	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]2C)nc1	ZINC001093141513	957638476	/nfs/dbraw/zinc/63/84/76/957638476.db2.gz	POYCOWFMPHCZLR-KBAYOESNSA-N	1	0	368.481	1.277	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3cccc(OC)n3)C[C@H]2C)cn1	ZINC001093143259	957640489	/nfs/dbraw/zinc/64/04/89/957640489.db2.gz	WKIBXBMSEGDVOT-NVXWUHKLSA-N	1	0	364.449	1.964	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)[C@@H]1CCC(=O)N1	ZINC001093143630	957643064	/nfs/dbraw/zinc/64/30/64/957643064.db2.gz	TVMURLPVTRJIPS-VMGRFDJRSA-N	1	0	358.417	1.160	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(CNC(N)=O)cc2)[C@H](C)C1	ZINC001093186307	957805492	/nfs/dbraw/zinc/80/54/92/957805492.db2.gz	GNZTXGDNWQLXGS-MLGOLLRUSA-N	1	0	364.877	1.905	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3cncnc3C)C[C@H]2C)C1=O	ZINC001093270595	957900319	/nfs/dbraw/zinc/90/03/19/957900319.db2.gz	ACIJFELMHAAQOK-KYJSFNMBSA-N	1	0	371.485	1.260	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3cc(C)n[nH]3)C[C@H]2C)C1=O	ZINC001093271102	957937734	/nfs/dbraw/zinc/93/77/34/957937734.db2.gz	FSXFPSREUACJOW-BMFZPTHFSA-N	1	0	359.474	1.193	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)Cc3ccon3)C[C@H]2C)C1=O	ZINC001093271792	957939473	/nfs/dbraw/zinc/93/94/73/957939473.db2.gz	LCWVNWZOYLBFNW-INMHGKMJSA-N	1	0	360.458	1.078	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3nccc(C)n3)C[C@H]2C)C1=O	ZINC001093273647	957943109	/nfs/dbraw/zinc/94/31/09/957943109.db2.gz	DCCCXGCGIZENQG-OIISXLGYSA-N	1	0	371.485	1.260	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCN(C)C2=O)C1	ZINC001093279557	957953470	/nfs/dbraw/zinc/95/34/70/957953470.db2.gz	HLBIGCPMLJDTDU-BRWVUGGUSA-N	1	0	358.486	1.593	20	30		FDEDRO
C#CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1C1CCOCC1)CCO2	ZINC001093403087	958020467	/nfs/dbraw/zinc/02/04/67/958020467.db2.gz	BPNMOCHJGTZWBZ-KYBDOYODSA-N	1	0	360.498	1.812	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093452389	958059973	/nfs/dbraw/zinc/05/99/73/958059973.db2.gz	HYWLLSFLNRZYHL-XSYGEPLQSA-N	1	0	358.486	1.941	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093436967	958068001	/nfs/dbraw/zinc/06/80/01/958068001.db2.gz	MTVVBXQXSYWDGE-IIVZCXTMSA-N	1	0	366.893	1.752	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cc[nH]n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093439398	958074427	/nfs/dbraw/zinc/07/44/27/958074427.db2.gz	MENOFMOEMRJOGR-JOCBIADPSA-N	1	0	366.893	1.671	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093441521	958077075	/nfs/dbraw/zinc/07/70/75/958077075.db2.gz	AQBOOBKIEIMGCA-YFHUEUNASA-N	1	0	364.877	1.809	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)C#CC2CC2)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccnn1C)C2	ZINC001093443476	958085241	/nfs/dbraw/zinc/08/52/41/958085241.db2.gz	RAJZARXJPQFHQD-QCFAMHMHSA-N	1	0	370.497	1.300	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(F)CCOCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093448263	958107336	/nfs/dbraw/zinc/10/73/36/958107336.db2.gz	GSZPMQNJLGWYCN-XLMAVXFVSA-N	1	0	352.450	1.104	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc4c([nH]3)CCOC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093449250	958114815	/nfs/dbraw/zinc/11/48/15/958114815.db2.gz	OBPHQSLVAPPQRA-BNDYYXHWSA-N	1	0	371.481	1.300	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncc(COC)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093449363	958116124	/nfs/dbraw/zinc/11/61/24/958116124.db2.gz	GAPIOILPMYXWAI-XCJLJZCSSA-N	1	0	371.481	1.441	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C4CC4)n(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093450971	958129992	/nfs/dbraw/zinc/12/99/92/958129992.db2.gz	YUFLLWRFPXIBRH-RDPOXOKHSA-N	1	0	370.497	1.510	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(=O)Nc3ccccc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093451905	958137167	/nfs/dbraw/zinc/13/71/67/958137167.db2.gz	AFRNPDWILYOTQR-WIRSXHRWSA-N	1	0	371.481	1.777	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CCO)C3)[C@H]2C(C)C)CC1	ZINC001093463720	958196867	/nfs/dbraw/zinc/19/68/67/958196867.db2.gz	YMAHUMJKRGKAMV-MLYOOKFZSA-N	1	0	350.503	1.691	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CCF)C3)[C@@H]2C(C)C)c1	ZINC001093464114	958197901	/nfs/dbraw/zinc/19/79/01/958197901.db2.gz	CFNPGJRMAMINSO-XSYGEPLQSA-N	1	0	359.445	1.612	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(C(F)(F)F)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093464651	958200504	/nfs/dbraw/zinc/20/05/04/958200504.db2.gz	GACCNISVFUFWRQ-IXYNUQLISA-N	1	0	358.404	1.928	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnc(C4CC4)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093465568	958203534	/nfs/dbraw/zinc/20/35/34/958203534.db2.gz	IHCIVIUQMOEUHM-NEYJZJCJSA-N	1	0	368.481	1.567	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc4c(c3)COC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093466320	958208543	/nfs/dbraw/zinc/20/85/43/958208543.db2.gz	MTAAZXPXHGKXJJ-NXLVEIQXSA-N	1	0	368.477	1.930	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncc(C#C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093467861	958216574	/nfs/dbraw/zinc/21/65/74/958216574.db2.gz	WBCBSUIFEMIUOK-XCJLJZCSSA-N	1	0	351.450	1.276	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(CC)nn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093470411	958228341	/nfs/dbraw/zinc/22/83/41/958228341.db2.gz	UJQBTOFGGQNXTC-MYZZLAAOSA-N	1	0	361.490	1.454	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CC=C)C3)[C@H]2C(C)C)cn1	ZINC001093471927	958237087	/nfs/dbraw/zinc/23/70/87/958237087.db2.gz	HBONDIBNAMOSKK-ANTGDGSKSA-N	1	0	353.466	1.829	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ncc[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093472739	958240710	/nfs/dbraw/zinc/24/07/10/958240710.db2.gz	MTHMCFUWHZXVLS-DTTOXWODSA-N	1	0	366.893	1.671	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3cncn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093476429	958254918	/nfs/dbraw/zinc/25/49/18/958254918.db2.gz	AYIAGAARZPBSNR-JYBIWHBTSA-N	1	0	360.502	1.505	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(OC)cs3)[C@H]2C(C)C)C[C@H]1O	ZINC001093455599	958273950	/nfs/dbraw/zinc/27/39/50/958273950.db2.gz	OUXOFIGHAMDUQC-RRIFGTCXSA-N	1	0	362.495	1.970	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3coc(C(N)=O)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093456115	958276832	/nfs/dbraw/zinc/27/68/32/958276832.db2.gz	VMSHFRDOHGDJFY-UMHPPVOVSA-N	1	0	361.442	1.144	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(COC)o3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093458649	958284102	/nfs/dbraw/zinc/28/41/02/958284102.db2.gz	OPKQFFJYOONOMP-QQTQMKHKSA-N	1	0	360.454	1.639	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccccc3F)[C@H]2C(C)C)C[C@H]1O	ZINC001093477928	958291402	/nfs/dbraw/zinc/29/14/02/958291402.db2.gz	NWUPUUCCFIZQSV-RMVXJAJNSA-N	1	0	358.457	1.968	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3cscn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093478166	958293131	/nfs/dbraw/zinc/29/31/31/958293131.db2.gz	CENSDIGEHKSZOR-RWQQGDIJSA-N	1	0	361.511	1.675	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccn(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093478325	958293937	/nfs/dbraw/zinc/29/39/37/958293937.db2.gz	DYAUHSMKQWSPEL-KONPQCLYSA-N	1	0	366.893	1.752	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)noc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093479412	958298729	/nfs/dbraw/zinc/29/87/29/958298729.db2.gz	UIOIZLYRWXQNNL-CWLMSFPYSA-N	1	0	359.470	1.758	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccccc3OC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093480430	958302690	/nfs/dbraw/zinc/30/26/90/958302690.db2.gz	ZRCQWCCXJQWAFQ-YHBROIRLSA-N	1	0	370.493	1.837	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)cc(=O)[nH]c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093480560	958303352	/nfs/dbraw/zinc/30/33/52/958303352.db2.gz	LWDKUGGRIJJUAR-HQEOYTPBSA-N	1	0	371.481	1.617	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncnc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093480829	958304731	/nfs/dbraw/zinc/30/47/31/958304731.db2.gz	PCQAVADNJOQOEJ-SOAMZJECSA-N	1	0	358.486	1.805	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093622957	958357972	/nfs/dbraw/zinc/35/79/72/958357972.db2.gz	HPEVSLNYMIQXNZ-CZUORRHYSA-N	1	0	351.410	1.552	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3ccccc3F)C[C@H]2C)C1=O	ZINC001093615393	958376372	/nfs/dbraw/zinc/37/63/72/958376372.db2.gz	BTAQIXZQSVJGMH-IIDMSEBBSA-N	1	0	359.445	1.910	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093639727	958408111	/nfs/dbraw/zinc/40/81/11/958408111.db2.gz	QJLKSJHANLQKHZ-CRAIPNDOSA-N	1	0	352.442	1.424	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnsn2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001093650745	958433359	/nfs/dbraw/zinc/43/33/59/958433359.db2.gz	KAYBVZXSPOOWHF-UKRRQHHQSA-N	1	0	371.466	1.938	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001093669478	958475624	/nfs/dbraw/zinc/47/56/24/958475624.db2.gz	CTEGTEYPUYGMQI-RDTXWAMCSA-N	1	0	369.444	1.858	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001093682174	958487603	/nfs/dbraw/zinc/48/76/03/958487603.db2.gz	JKGRIOMGKZKBIO-IUODEOHRSA-N	1	0	368.416	1.567	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCC(F)(F)F	ZINC001110494554	972352616	/nfs/dbraw/zinc/35/26/16/972352616.db2.gz	RFHIJYZYIIIOSI-TUVASFSCSA-N	1	0	362.392	1.451	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]2C)cc1C#N	ZINC001093674990	958522474	/nfs/dbraw/zinc/52/24/74/958522474.db2.gz	CDGJJCZOHRCZCU-KBRIMQKVSA-N	1	0	370.453	1.030	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)[C@H](C)C1	ZINC001093678955	958531376	/nfs/dbraw/zinc/53/13/76/958531376.db2.gz	OOIUBFYSPDWYPV-SQWLQELKSA-N	1	0	363.483	1.434	20	30		FDEDRO
C[C@H]([NH2+]CCC(=O)Nc1cccc(S(N)(=O)=O)c1)c1cccc(C#N)c1	ZINC001197680813	972356461	/nfs/dbraw/zinc/35/64/61/972356461.db2.gz	CBZLQUIUZIBSBC-ZDUSSCGKSA-N	1	0	372.450	1.885	20	30		FDEDRO
CCc1noc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)n1	ZINC001093699530	958565622	/nfs/dbraw/zinc/56/56/22/958565622.db2.gz	CIDBYYWAHSXYHZ-YRGRVCCFSA-N	1	0	356.430	1.891	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1nnnn1C(C)(C)C	ZINC001093722417	958598232	/nfs/dbraw/zinc/59/82/32/958598232.db2.gz	AQMGWIJMRYEJJH-CHWSQXEVSA-N	1	0	370.461	1.126	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)nn1	ZINC001093722588	958599061	/nfs/dbraw/zinc/59/90/61/958599061.db2.gz	QTAZFBYXIGTJAN-CHWSQXEVSA-N	1	0	354.414	1.183	20	30		FDEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(C(=S)Nc1cccc(C#N)c1)CC2	ZINC001197688827	972361287	/nfs/dbraw/zinc/36/12/87/972361287.db2.gz	PIKZKRNCFRRVSE-UHFFFAOYSA-N	1	0	371.510	1.931	20	30		FDEDRO
CC(C)N1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)C1=O	ZINC001093725657	958609228	/nfs/dbraw/zinc/60/92/28/958609228.db2.gz	YBTWSOKGFULADE-FRFSOERESA-N	1	0	357.458	1.193	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001093729709	958625721	/nfs/dbraw/zinc/62/57/21/958625721.db2.gz	KCGPVZJWCPNTOP-IUODEOHRSA-N	1	0	370.432	1.511	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093739643	958653432	/nfs/dbraw/zinc/65/34/32/958653432.db2.gz	VASOWSMYAYDGJZ-CRAIPNDOSA-N	1	0	352.442	1.424	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cncnc2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001093739786	958655369	/nfs/dbraw/zinc/65/53/69/958655369.db2.gz	FFAUDVWZQTYFTO-RDTXWAMCSA-N	1	0	367.428	1.914	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001093796334	958804452	/nfs/dbraw/zinc/80/44/52/958804452.db2.gz	IFMCPSFXUQIKFV-CZUORRHYSA-N	1	0	356.405	1.173	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+][C@H]2CCCN(C)C2=O)[C@H](C)C1	ZINC001093824669	958903401	/nfs/dbraw/zinc/90/34/01/958903401.db2.gz	DARMNSMZDYLSJV-ZACQAIPSSA-N	1	0	358.486	1.593	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+][C@@H]2CCN(CC)C2=O)[C@H](C)C1	ZINC001093824746	958903576	/nfs/dbraw/zinc/90/35/76/958903576.db2.gz	ITRIWEIKNJOKTC-BRWVUGGUSA-N	1	0	358.486	1.593	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cncc(F)c2)[C@H](C)C1	ZINC001093832944	958927365	/nfs/dbraw/zinc/92/73/65/958927365.db2.gz	JZVIESKAUBHPJM-SUMDDJOVSA-N	1	0	358.461	1.502	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cc(C)ncn2)[C@H](C)C1	ZINC001093833099	958928312	/nfs/dbraw/zinc/92/83/12/958928312.db2.gz	RMMOZBJBEXHMFQ-SUMDDJOVSA-N	1	0	355.486	1.067	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001093849833	958974800	/nfs/dbraw/zinc/97/48/00/958974800.db2.gz	RNFMECLZSCFLRA-IUODEOHRSA-N	1	0	369.400	1.691	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093887669	959137102	/nfs/dbraw/zinc/13/71/02/959137102.db2.gz	OHAVHCIVAKHFED-DNVCBOLYSA-N	1	0	364.449	1.755	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)c2ccc(C)cn2)CC1	ZINC000636676752	1013186617	/nfs/dbraw/zinc/18/66/17/1013186617.db2.gz	KOBWGUCJVUFVGZ-UHFFFAOYSA-N	1	0	372.513	1.941	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(OC)nn3)[C@H](C)C2)cc1	ZINC001093954481	959343147	/nfs/dbraw/zinc/34/31/47/959343147.db2.gz	IZVYYIFVLVQEKK-CRAIPNDOSA-N	1	0	364.449	1.964	20	30		FDEDRO
Cc1n[nH]nc1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)c(C#N)c2)[C@H](C)C1	ZINC001093958865	959358101	/nfs/dbraw/zinc/35/81/01/959358101.db2.gz	IXSDLCBXEHWBFQ-IAQYHMDHSA-N	1	0	356.405	1.622	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3ncc(C)cc3C)C[C@H]2C)C1=O	ZINC001093933391	959387263	/nfs/dbraw/zinc/38/72/63/959387263.db2.gz	GMPQYXLQFUFDIC-KURKYZTESA-N	1	0	370.497	1.783	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001094008568	959504974	/nfs/dbraw/zinc/50/49/74/959504974.db2.gz	WAAAXIYUCNYDGE-GDBMZVCRSA-N	1	0	370.453	1.039	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001093980767	959529571	/nfs/dbraw/zinc/52/95/71/959529571.db2.gz	RKYRGPKOOGOEQK-FZWVUDROSA-N	1	0	357.429	1.774	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3ncnn3C(C)C)[C@H](C)C2)c1	ZINC001094027747	959548196	/nfs/dbraw/zinc/54/81/96/959548196.db2.gz	DAGKYKPGRUWGJR-CRAIPNDOSA-N	1	0	366.469	1.733	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3nnc(C)n3CC)[C@H](C)C2)c1	ZINC001094028088	959550013	/nfs/dbraw/zinc/55/00/13/959550013.db2.gz	RISAKUZDGAMUHM-RDTXWAMCSA-N	1	0	366.469	1.481	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)c3nc(C)no3)[C@H](C)C2)c1	ZINC001094027981	959550529	/nfs/dbraw/zinc/55/05/29/959550529.db2.gz	MCOUQRZELVWTKJ-IIYDPXPESA-N	1	0	353.426	1.813	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3nn(C)cc3Cl)[C@H](C)C2)c1	ZINC001094028160	959550550	/nfs/dbraw/zinc/55/05/50/959550550.db2.gz	UFKSVIAFCHVWBJ-CZUORRHYSA-N	1	0	371.872	1.948	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3cc(C4CC4)n[nH]3)C[C@H]2C)C1=O	ZINC001094064658	959677301	/nfs/dbraw/zinc/67/73/01/959677301.db2.gz	XUNZBJGECARDFF-BMFZPTHFSA-N	1	0	371.485	1.372	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3csnn3)[C@H](C)C2)nn1	ZINC001094101257	959726178	/nfs/dbraw/zinc/72/61/78/959726178.db2.gz	KRLIRMKOAWVJEU-CHWSQXEVSA-N	1	0	361.475	1.204	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3nc(C)no3)[C@H](C)C2)nn1	ZINC001094101322	959749338	/nfs/dbraw/zinc/74/93/38/959749338.db2.gz	NOPGHNMUCSRLBJ-TZMCWYRMSA-N	1	0	359.434	1.044	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3cccc(OC)c3)[C@H](C)C2)nn1	ZINC001094095598	959774247	/nfs/dbraw/zinc/77/42/47/959774247.db2.gz	UXXAJSZWOSRFHZ-NVXWUHKLSA-N	1	0	369.469	1.971	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccncn2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001094119256	959816252	/nfs/dbraw/zinc/81/62/52/959816252.db2.gz	NSVQLBLQMJQPGB-CZUORRHYSA-N	1	0	353.401	1.985	20	30		FDEDRO
C[N@@H+]1C[C@H](C(=O)NCCNc2cnc(C#N)cn2)[C@@H](c2ccccc2)C1	ZINC001094131852	959854202	/nfs/dbraw/zinc/85/42/02/959854202.db2.gz	DEEIJDUGROUOBK-SJORKVTESA-N	1	0	350.426	1.222	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cc(OC)no2)[C@H](C)C1	ZINC001094103076	959882603	/nfs/dbraw/zinc/88/26/03/959882603.db2.gz	AMTOQBKWJOYHOO-DEICHXMPSA-N	1	0	363.458	1.849	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001094156928	959927019	/nfs/dbraw/zinc/92/70/19/959927019.db2.gz	ORKFSSBTHRXUPL-IUODEOHRSA-N	1	0	356.405	1.242	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]Cc2ccn(C)n2)[C@H](C)C1	ZINC001094173897	959973712	/nfs/dbraw/zinc/97/37/12/959973712.db2.gz	DWXJYLHGCJOGBZ-HZPDHXFCSA-N	1	0	367.453	1.325	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]Cc2ocnc2C)[C@H](C)C1	ZINC001094174090	959975952	/nfs/dbraw/zinc/97/59/52/959975952.db2.gz	RKRRHVFGRWLHGZ-GDBMZVCRSA-N	1	0	368.437	1.888	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]Cc2cnns2)[C@H](C)C1	ZINC001094174153	959976151	/nfs/dbraw/zinc/97/61/51/959976151.db2.gz	VLLCQBAMRBKKEO-ZIAGYGMSSA-N	1	0	371.466	1.443	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nc(CC)no3)[C@H](C)C2)nc1	ZINC001094174751	959978473	/nfs/dbraw/zinc/97/84/73/959978473.db2.gz	RTJLGMOHOOPXAO-UKRRQHHQSA-N	1	0	353.426	1.506	20	30		FDEDRO
Cc1nonc1CC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1	ZINC001094142333	959999255	/nfs/dbraw/zinc/99/92/55/959999255.db2.gz	ZJXDOTWJUGVSEP-CXAGYDPISA-N	1	0	353.426	1.677	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3[nH]cnc3CC)C[C@H]2C)C1=O	ZINC001094195164	960089071	/nfs/dbraw/zinc/08/90/71/960089071.db2.gz	AIJYFXQRDTYNGW-IIAWOOMASA-N	1	0	359.474	1.057	20	30		FDEDRO
C=C[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2nncn2C)[C@H](C)C1)c1ccccc1	ZINC001094235380	960146065	/nfs/dbraw/zinc/14/60/65/960146065.db2.gz	CLAFKHDZRZGLHW-KBAYOESNSA-N	1	0	353.470	1.969	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@]3(CNC(=O)c4cn[nH]c4)CCC[C@@H]23)C1=O	ZINC001094365386	960322210	/nfs/dbraw/zinc/32/22/10/960322210.db2.gz	BHMLRPJPKKMGKS-FRQCXROJSA-N	1	0	357.458	1.171	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@@]3(CNC(=O)c4cnc(C)[nH]4)CCC[C@@H]23)C1=O	ZINC001094377985	960370118	/nfs/dbraw/zinc/37/01/18/960370118.db2.gz	WAOGLDVMTNKTET-SQGPQFPESA-N	1	0	371.485	1.479	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCCS3(=O)=O)CCC[C@@H]12	ZINC001094432782	960441953	/nfs/dbraw/zinc/44/19/53/960441953.db2.gz	AGAOZSIVHVTDQK-JFIYKMOQSA-N	1	0	354.516	1.891	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(OCC(N)=O)cc3)CCC[C@@H]12	ZINC001094462925	960460111	/nfs/dbraw/zinc/46/01/11/960460111.db2.gz	FDRVJPRBLJDKQS-WIYYLYMNSA-N	1	0	369.465	1.548	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCO[C@H]3c3ccnn3CC)CCC[C@@H]12	ZINC001094437410	960481665	/nfs/dbraw/zinc/48/16/65/960481665.db2.gz	SZJVSLSETKTCFR-XLBJILASSA-N	1	0	370.497	1.975	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(=O)n(C)cn3)CCC[C@@H]12	ZINC001094438240	960484763	/nfs/dbraw/zinc/48/47/63/960484763.db2.gz	AODGXNMPOIEKJL-RHSMWYFYSA-N	1	0	350.850	1.507	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4ccc(OC)nn43)CCC[C@@H]12	ZINC001094448942	960521036	/nfs/dbraw/zinc/52/10/36/960521036.db2.gz	DZEJZBBWBHPQMK-DNVCBOLYSA-N	1	0	353.426	1.346	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)c3coc(S(N)(=O)=O)c3)CCC[C@@H]12	ZINC001094450978	960528905	/nfs/dbraw/zinc/52/89/05/960528905.db2.gz	POJVBLMYFXLVPA-RHSMWYFYSA-N	1	0	367.471	1.478	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC	ZINC001181045197	960532791	/nfs/dbraw/zinc/53/27/91/960532791.db2.gz	COTVLQCQXRTJAZ-KBPBESRZSA-N	1	0	369.462	1.209	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4cnn(C)c4C3)CCC[C@@H]12	ZINC001094497288	960613562	/nfs/dbraw/zinc/61/35/62/960613562.db2.gz	RGKSMSBBYZGKAL-OZOXKJRCSA-N	1	0	354.498	1.909	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4nnn(C)c4C3)CCC[C@@H]12	ZINC001094498160	960615725	/nfs/dbraw/zinc/61/57/25/960615725.db2.gz	ZMLITBDJUMDKGO-QKYXUNIQSA-N	1	0	355.486	1.304	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cncn1C)CC2	ZINC001094515333	960705598	/nfs/dbraw/zinc/70/55/98/960705598.db2.gz	DOEBQGLQXXCCGL-AJYBTWMASA-N	1	0	358.486	1.872	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C)c(C(N)=O)cn3)CCC[C@@H]12	ZINC001094515694	960709193	/nfs/dbraw/zinc/70/91/93/960709193.db2.gz	KAHXURCDIQUSIS-YLJYHZDGSA-N	1	0	354.454	1.487	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)c4nnc[nH]4)CCC[C@@H]23)cc1	ZINC001094539122	960771799	/nfs/dbraw/zinc/77/17/99/960771799.db2.gz	YYQFHJOYMGVXET-VQIMIIECSA-N	1	0	350.426	1.851	20	30		FDEDRO
COCC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2ccncc2)C[C@H]1C	ZINC001181525345	960904645	/nfs/dbraw/zinc/90/46/45/960904645.db2.gz	JTWJNNOTPZZXPI-WQZMEWCLSA-N	1	0	355.482	1.909	20	30		FDEDRO
C=C(C)CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)CC2=O)C1	ZINC001094741036	961136262	/nfs/dbraw/zinc/13/62/62/961136262.db2.gz	WMXCAMGIWWYDJK-SFNKJDCFSA-N	1	0	357.498	1.956	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CC3CCC3)C2)C1	ZINC001094795640	961180605	/nfs/dbraw/zinc/18/06/05/961180605.db2.gz	VEJHLMWBJADQHS-AYBZRNKSSA-N	1	0	361.486	1.169	20	30		FDEDRO
N#Cc1cc(Br)ccc1-c1noc(C2=NO[C@H]3C[NH2+]C[C@H]23)n1	ZINC001212627267	961300797	/nfs/dbraw/zinc/30/07/97/961300797.db2.gz	KCOCPDWTUDDQCX-QWRGUYRKSA-N	1	0	360.171	1.693	20	30		FDEDRO
C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC001171889497	961344224	/nfs/dbraw/zinc/34/42/24/961344224.db2.gz	GXPZNOAPQRSDPG-VSZNYVQBSA-N	1	0	354.491	1.505	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc(C)cn1)C2	ZINC001110251038	961392529	/nfs/dbraw/zinc/39/25/29/961392529.db2.gz	GTJGWHWSELGAKY-NUJGCVRESA-N	1	0	369.469	1.321	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc3c2NC(=O)CO3)c1C#N	ZINC001182252767	961657741	/nfs/dbraw/zinc/65/77/41/961657741.db2.gz	HGICFPSSURFOGY-UHFFFAOYSA-N	1	0	354.370	1.017	20	30		FDEDRO
C[C@H](CCCC#N)[N@@H+]1CC[C@H]2[C@H](CO[C@@H]2CNC(=O)c2cnn(C)c2)C1	ZINC001172498407	961688659	/nfs/dbraw/zinc/68/86/59/961688659.db2.gz	KZZMGSQVRQJDDU-LAVFITLUSA-N	1	0	359.474	1.569	20	30		FDEDRO
C#CCCN1CCC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C(=O)C2)C1=O	ZINC001172664342	961743050	/nfs/dbraw/zinc/74/30/50/961743050.db2.gz	MTVLKIDGUYHJMS-MOPGFXCFSA-N	1	0	353.466	1.782	20	30		FDEDRO
NC(=O)c1ccc(C(=[NH2+])N[C@H]2CCN(Cc3ccccc3)C(=O)C2)cc1	ZINC001172677209	961750652	/nfs/dbraw/zinc/75/06/52/961750652.db2.gz	WXKVSZBSWDUMLZ-KRWDZBQOSA-N	1	0	350.422	1.682	20	30		FDEDRO
C#CCOCCOCC[NH2+]C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C	ZINC001172808528	961797705	/nfs/dbraw/zinc/79/77/05/961797705.db2.gz	AQSBHBQVBCWBFT-ALOPSCKCSA-N	1	0	350.459	1.949	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H](N[C@]2(C[NH3+])CN3CCC2CC3)C[C@H]1C#N	ZINC001172982138	961866215	/nfs/dbraw/zinc/86/62/15/961866215.db2.gz	UMFKGFDTPQAIJQ-JTDSTZFVSA-N	1	0	363.506	1.291	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H](N(c2ncccn2)C2C[NH2+]C2)C[C@H]1C#N	ZINC001172990517	961869899	/nfs/dbraw/zinc/86/98/99/961869899.db2.gz	PBPHOLCXEDDYOZ-KBPBESRZSA-N	1	0	358.446	1.546	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CCC[C@]3(CNC(=O)O3)C2)C[C@H]1C#N	ZINC001172991112	961901211	/nfs/dbraw/zinc/90/12/11/961901211.db2.gz	KQSQCAQNZRCXFU-GLJUWKHASA-N	1	0	364.446	1.852	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCCCCCCNc2ccnc(C#N)n2)CC[N@@H+]1C	ZINC001095003906	961916743	/nfs/dbraw/zinc/91/67/43/961916743.db2.gz	WJOXUCIQNZHQCJ-JKSUJKDBSA-N	1	0	358.490	1.589	20	30		FDEDRO
C=CCOC1CCC([NH+]2CC(N3CCN(c4ncccn4)CC3)C2)CC1	ZINC001173321968	962003893	/nfs/dbraw/zinc/00/38/93/962003893.db2.gz	UBOIJTTZJSKMBY-UHFFFAOYSA-N	1	0	357.502	1.797	20	30		FDEDRO
CN(C)C(=O)Cn1cc2c(n1)[C@@H](C[NH2+]C1CCC(CC#N)CC1)OCC2	ZINC001173325248	962006412	/nfs/dbraw/zinc/00/64/12/962006412.db2.gz	FRZHDKWAJCHTLP-BDVYOWHSSA-N	1	0	359.474	1.647	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([N@@H+]3CCO[C@@H]4C[C@H](CO)C[C@H]43)CC2)cc1	ZINC001173429598	962146219	/nfs/dbraw/zinc/14/62/19/962146219.db2.gz	ABMWZRLHVJUPJR-NSISKUIASA-N	1	0	369.465	1.635	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@]4(CCNC4=O)C3)CC2)cc1	ZINC001173431019	962147769	/nfs/dbraw/zinc/14/77/69/962147769.db2.gz	NPQFZYNYCRQQTN-OAQYLSRUSA-N	1	0	366.465	1.765	20	30		FDEDRO
C=C(C)C(=O)OCC[NH2+][C@H]1CCN(C(=O)c2ccccc2)[C@H](C(=O)OC)C1	ZINC001173504774	962218975	/nfs/dbraw/zinc/21/89/75/962218975.db2.gz	WKUQAZFTWMNTIM-IRXDYDNUSA-N	1	0	374.437	1.542	20	30		FDEDRO
CC[N@H+](CCC#N)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC001173696480	962585357	/nfs/dbraw/zinc/58/53/57/962585357.db2.gz	ACLBOGIEJAINGB-UHFFFAOYSA-N	1	0	366.443	1.983	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)Nc1ncnn2c(Br)ccc12	ZINC001183039534	962751246	/nfs/dbraw/zinc/75/12/46/962751246.db2.gz	QXMPTDHHDCVXRN-UHFFFAOYSA-N	1	0	350.220	1.504	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1Cc2ccnn2C[C@H](C(=O)N2CCCC2)C1	ZINC001183043459	962756154	/nfs/dbraw/zinc/75/61/54/962756154.db2.gz	SBLPVRMZEPOKRB-QGZVFWFLSA-N	1	0	371.485	1.116	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C2(COC2)C1	ZINC001183075780	962778561	/nfs/dbraw/zinc/77/85/61/962778561.db2.gz	DVKOSOGZGLDEAS-OAHLLOKOSA-N	1	0	365.474	1.391	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCCC(C)(C)C	ZINC001110182963	963097017	/nfs/dbraw/zinc/09/70/17/963097017.db2.gz	GKWCPHUWVBBLQQ-YVSFHVDLSA-N	1	0	365.518	1.851	20	30		FDEDRO
CC1([NH+]2CCOCC2)CCN(C(=O)[C@H](C#N)Cc2ccc(O)cc2)CC1	ZINC001183608542	963140493	/nfs/dbraw/zinc/14/04/93/963140493.db2.gz	JWGOQUAUEZNTIY-KRWDZBQOSA-N	1	0	357.454	1.788	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCN1CCCC1=O	ZINC001175348079	963141080	/nfs/dbraw/zinc/14/10/80/963141080.db2.gz	AFOUZLZYJFXDPV-KSZLIROESA-N	1	0	365.518	1.855	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=O)N1CCCC1	ZINC001175360100	963165465	/nfs/dbraw/zinc/16/54/65/963165465.db2.gz	YJSBQMUITUOLLW-ZACQAIPSSA-N	1	0	351.491	1.465	20	30		FDEDRO
N#C[C@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCN(Cc2cccnc2)C1	ZINC001183613947	963190007	/nfs/dbraw/zinc/19/00/07/963190007.db2.gz	VLLBZWIRTUQNMQ-ROUUACIJSA-N	1	0	350.422	1.860	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1cn(C)nn1	ZINC001175630705	963242303	/nfs/dbraw/zinc/24/23/03/963242303.db2.gz	UHYKXXCXOVFGGZ-SZMVWBNQSA-N	1	0	363.506	1.951	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCCO1	ZINC000773564993	963411518	/nfs/dbraw/zinc/41/15/18/963411518.db2.gz	VXVSDSATJQCWCD-WOJBJXKFSA-N	1	0	366.465	1.956	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@]23CCC[C@H]2OCC3)C1	ZINC001184181946	963462675	/nfs/dbraw/zinc/46/26/75/963462675.db2.gz	WQSPWHLXBXOLIS-HLIPFELVSA-N	1	0	363.502	1.561	20	30		FDEDRO
CCOC(=O)C1([C@H](C)[NH2+][C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CCOCC1	ZINC001176658701	963520966	/nfs/dbraw/zinc/52/09/66/963520966.db2.gz	WBLAQAQJVNAJCZ-RVKKMQEKSA-N	1	0	367.490	1.767	20	30		FDEDRO
CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN(c3cccc(C#N)c3)C(=O)O2)C1	ZINC001184381961	963567456	/nfs/dbraw/zinc/56/74/56/963567456.db2.gz	UVPKPARKSJVVEQ-IRXDYDNUSA-N	1	0	356.426	1.825	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)C1	ZINC001184462127	963626513	/nfs/dbraw/zinc/62/65/13/963626513.db2.gz	BQHKWHKBOMNSBG-NZSAHSFTSA-N	1	0	370.497	1.349	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COC[C@@H]2CCCO2)C3)cc1	ZINC001110201412	963713447	/nfs/dbraw/zinc/71/34/47/963713447.db2.gz	FAJCJMRYXWTCLA-FYQPLNBISA-N	1	0	369.465	1.975	20	30		FDEDRO
Cn1cnnc1CCC(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1	ZINC001177432321	963840737	/nfs/dbraw/zinc/84/07/37/963840737.db2.gz	FTQZAXAKRXLHMQ-IYARVYRRSA-N	1	0	366.469	1.918	20	30		FDEDRO
O=C(C#Cc1cccnc1)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1	ZINC001177773932	963948498	/nfs/dbraw/zinc/94/84/98/963948498.db2.gz	PYOIEIDTPGTELV-OXJNMPFZSA-N	1	0	366.396	1.521	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccn(C)c(=O)c1	ZINC001110365942	964023839	/nfs/dbraw/zinc/02/38/39/964023839.db2.gz	FAQMGUNCQYXQID-HPBDAGMYSA-N	1	0	359.470	1.588	20	30		FDEDRO
C#CCN(C(=O)C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C)C1CCCC1	ZINC000774951619	964169383	/nfs/dbraw/zinc/16/93/83/964169383.db2.gz	WRZMKJQWWLPMTH-LJQANCHMSA-N	1	0	371.481	1.819	20	30		FDEDRO
C#CCC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3CCCO[C@H]3C=C)C2)nn1	ZINC001185942953	964205993	/nfs/dbraw/zinc/20/59/93/964205993.db2.gz	PFWOZVDWRJYWSP-QRVBRYPASA-N	1	0	371.485	1.536	20	30		FDEDRO
C#CCC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)nn1	ZINC001185952912	964211900	/nfs/dbraw/zinc/21/19/00/964211900.db2.gz	CBLLRLUFEFJYKK-BRWVUGGUSA-N	1	0	367.457	1.081	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cn2ncnn2)C1	ZINC001186188430	964337687	/nfs/dbraw/zinc/33/76/87/964337687.db2.gz	APVYEWLJNDIRLH-SJLPKXTDSA-N	1	0	370.432	1.057	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCO[C@H]2C(=C)C)C1	ZINC001186243813	964371128	/nfs/dbraw/zinc/37/11/28/964371128.db2.gz	WEJDETUYPIYICF-AOIWGVFYSA-N	1	0	363.502	1.583	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)C1	ZINC001186206078	964373550	/nfs/dbraw/zinc/37/35/50/964373550.db2.gz	JBGWYYKFRUPYCN-IXDOHACOSA-N	1	0	359.857	1.383	20	30		FDEDRO
C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	ZINC001178823514	964476899	/nfs/dbraw/zinc/47/68/99/964476899.db2.gz	RIXIIYBLQIDGPH-KGLIPLIRSA-N	1	0	350.381	1.622	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)CC12CCOCC2	ZINC001186409645	964477828	/nfs/dbraw/zinc/47/78/28/964477828.db2.gz	BFBQEARYZHQUOE-KSZLIROESA-N	1	0	366.502	1.601	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cc1	ZINC000957569651	1013506125	/nfs/dbraw/zinc/50/61/25/1013506125.db2.gz	QYDDGCAGXQMVLE-XWPNQZOQSA-N	1	0	367.493	1.975	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCOC)C2(C1)CCOCC2	ZINC001186494738	964523236	/nfs/dbraw/zinc/52/32/36/964523236.db2.gz	OOKNBWQJFHNJCL-ZACQAIPSSA-N	1	0	352.475	1.069	20	30		FDEDRO
C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccnc2)CC12CCOCC2	ZINC001186511155	964538267	/nfs/dbraw/zinc/53/82/67/964538267.db2.gz	CCCGXDSDVSDYPD-GBESFXJTSA-N	1	0	353.466	1.663	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCF)C2(C1)CCOCC2	ZINC001186522121	964545953	/nfs/dbraw/zinc/54/59/53/964545953.db2.gz	QFSPZCZWGKPERZ-IKGGRYGDSA-N	1	0	354.466	1.782	20	30		FDEDRO
CC(=O)N1CCC([NH+]2CCC(C(=O)Nc3cc(C#N)cnc3C)CC2)CC1	ZINC001179009996	964625066	/nfs/dbraw/zinc/62/50/66/964625066.db2.gz	FNBMPAITORIXCE-UHFFFAOYSA-N	1	0	369.469	1.923	20	30		FDEDRO
C=CCN1CCN(C(=O)[C@@]23COC[C@@H]2CN(C(=O)OC(C)(C)C)C3)CC1	ZINC001179145609	964748505	/nfs/dbraw/zinc/74/85/05/964748505.db2.gz	ZFPAOHZRRLFJAN-KXBFYZLASA-N	1	0	365.474	1.200	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H]1CCCO1	ZINC000773803985	964758089	/nfs/dbraw/zinc/75/80/89/964758089.db2.gz	JDOJGSDXMNLKLH-RBUKOAKNSA-N	1	0	369.465	1.560	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COc1ccccc1C	ZINC001110384911	964781765	/nfs/dbraw/zinc/78/17/65/964781765.db2.gz	CWBDVRSEDLOHFY-MKXGPGLRSA-N	1	0	374.481	1.659	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1COC[C@H]1NC(=O)OC(C)(C)C	ZINC001186934556	964847867	/nfs/dbraw/zinc/84/78/67/964847867.db2.gz	HBYDCGHUMLGXFJ-SOUVJXGZSA-N	1	0	353.463	1.293	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ccnc(N(C)C)c2)C1	ZINC000962321899	1013530490	/nfs/dbraw/zinc/53/04/90/1013530490.db2.gz	QADNWGMWNVDJEP-HIEASXQVSA-N	1	0	358.486	1.723	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1CC	ZINC001179642313	964942724	/nfs/dbraw/zinc/94/27/24/964942724.db2.gz	FIKAMPYELRXMEL-BZUAXINKSA-N	1	0	366.506	1.699	20	30		FDEDRO
Cc1ccc([C@@H]2C[C@H]2C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]2C)cc1C	ZINC001179685673	964943844	/nfs/dbraw/zinc/94/38/44/964943844.db2.gz	IFECISMKBHTKEV-KANFNMMFSA-N	1	0	368.481	1.626	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2OC)[C@H]1C	ZINC001179686145	964943943	/nfs/dbraw/zinc/94/39/43/964943943.db2.gz	WXQXCEFSUOARDT-OWLYRPNTSA-N	1	0	371.481	1.680	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCc1ccccc1	ZINC001110390418	965056805	/nfs/dbraw/zinc/05/68/05/965056805.db2.gz	MBGZHAHUXWTDIS-WTGUMLROSA-N	1	0	374.481	1.488	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C2	ZINC001110392213	965146514	/nfs/dbraw/zinc/14/65/14/965146514.db2.gz	DBLCNUAMPZHISU-ZJPYXAASSA-N	1	0	360.502	1.003	20	30		FDEDRO
CCNC(=O)CCC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001187288871	965167350	/nfs/dbraw/zinc/16/73/50/965167350.db2.gz	OISTVJAVZCCIAZ-ZWKOTPCHSA-N	1	0	354.454	1.507	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C	ZINC001187313956	965236225	/nfs/dbraw/zinc/23/62/25/965236225.db2.gz	KPEIJPCMQHDMCJ-JKSUJKDBSA-N	1	0	366.506	1.304	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)C[C@H]21	ZINC001187320340	965243456	/nfs/dbraw/zinc/24/34/56/965243456.db2.gz	PYHKKNUSRSMTFA-DLBZAZTESA-N	1	0	358.438	1.693	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCc2c(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)cccc2C1	ZINC000964376326	1013560274	/nfs/dbraw/zinc/56/02/74/1013560274.db2.gz	ADMIDVBEIUTUPC-HDMKZQKVSA-N	1	0	368.481	1.687	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CCOC[C@H]4CCCO4)C[C@H]32)[nH]1	ZINC001187545946	965485134	/nfs/dbraw/zinc/48/51/34/965485134.db2.gz	AEZQZFLAXVKLFW-YXJHDRRASA-N	1	0	358.442	1.228	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(OC)c3C)C[C@H]21	ZINC001187591143	965509501	/nfs/dbraw/zinc/50/95/01/965509501.db2.gz	CGYBAPYOLSBUFG-ZWKOTPCHSA-N	1	0	369.465	1.176	20	30		FDEDRO
C#CCCCCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]21	ZINC001187591488	965510146	/nfs/dbraw/zinc/51/01/46/965510146.db2.gz	OUCWBINWBLOXCL-YTQUADARSA-N	1	0	357.498	1.866	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H](CC#N)C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2	ZINC001180783984	965550554	/nfs/dbraw/zinc/55/05/54/965550554.db2.gz	XXXOAPXXTZOOJS-HNNXBMFYSA-N	1	0	362.474	1.738	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CC[C@H]2C[N@@H+](CCn3c(C)csc3=O)C[C@H]21	ZINC001187763858	965729967	/nfs/dbraw/zinc/72/99/67/965729967.db2.gz	VEPVSDFLSFRHBS-DAYGRLMNSA-N	1	0	365.499	1.078	20	30		FDEDRO
C#C[C@H]([NH2+]CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCCO1	ZINC000796012729	1013596618	/nfs/dbraw/zinc/59/66/18/1013596618.db2.gz	UXUAHGYVYVCEDG-JKSUJKDBSA-N	1	0	365.474	1.226	20	30		FDEDRO
CC(C)C#CC(=O)N1CC[C@H]2C[N@H+](C[C@@H](O)COCc3ccccc3)C[C@H]21	ZINC001187849038	965789046	/nfs/dbraw/zinc/78/90/46/965789046.db2.gz	IYRNVCWVKNHBEX-PWRODBHTSA-N	1	0	370.493	1.756	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C)n(C(F)F)n3)[C@@H]2C1	ZINC001188051475	965968195	/nfs/dbraw/zinc/96/81/95/965968195.db2.gz	LVRCOPKJNVBDPQ-DZGCQCFKSA-N	1	0	354.401	1.936	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3nc(C)cc3C(F)F)[C@@H]2C1	ZINC001188026081	965979736	/nfs/dbraw/zinc/97/97/36/965979736.db2.gz	KRHBRUZZPBOFGV-GOEBONIOSA-N	1	0	368.428	1.864	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)NC(C)C)C[C@H]21	ZINC001188063218	965986475	/nfs/dbraw/zinc/98/64/75/965986475.db2.gz	FRMPWTCSGTYHCY-JKSUJKDBSA-N	1	0	350.507	1.829	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CC[C@H]2CN(C[C@H]3CCS(=O)(=O)C3)C[C@H]21	ZINC001188063289	965986568	/nfs/dbraw/zinc/98/65/68/965986568.db2.gz	HGTFZFGUNPWUGX-OWCLPIDISA-N	1	0	354.516	1.556	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@H]21)OCC	ZINC001188095866	966006823	/nfs/dbraw/zinc/00/68/23/966006823.db2.gz	UVEQCGDBLGDLGG-CGTJXYLNSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@H]21	ZINC001188057216	966016880	/nfs/dbraw/zinc/01/68/80/966016880.db2.gz	SJFZFUXIPGPHHP-JKSUJKDBSA-N	1	0	369.531	1.157	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4ncncc4C3)[C@@H]2C1	ZINC001188173146	966076416	/nfs/dbraw/zinc/07/64/16/966076416.db2.gz	FMJHPZLNHFQSMS-TXPKVOOTSA-N	1	0	356.470	1.317	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC1)CC[NH+]([C@@H](C)C(N)=O)CC2	ZINC000957618819	1013626754	/nfs/dbraw/zinc/62/67/54/1013626754.db2.gz	ISYWLIFEXCTXLO-ULQDDVLXSA-N	1	0	363.502	1.546	20	30		FDEDRO
C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1	ZINC001188205688	966123674	/nfs/dbraw/zinc/12/36/74/966123674.db2.gz	RMGJLSXNAZDSKE-OKZBNKHCSA-N	1	0	362.518	1.084	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3nncc4ccccc43)[C@@H]2C1	ZINC001188528979	966363697	/nfs/dbraw/zinc/36/36/97/966363697.db2.gz	YZLVSKOHPSEEPK-FUHWJXTLSA-N	1	0	350.422	1.426	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3COc4ccccc4C3)[C@@H]2C1	ZINC001188494621	966368123	/nfs/dbraw/zinc/36/81/23/966368123.db2.gz	GWTJNRYYOIXENS-GBESFXJTSA-N	1	0	354.450	1.420	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(CC)c1)C2	ZINC001110398995	966387601	/nfs/dbraw/zinc/38/76/01/966387601.db2.gz	PDTJBYSGWYJTLO-KURKYZTESA-N	1	0	371.485	1.439	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]21	ZINC001188884252	966615117	/nfs/dbraw/zinc/61/51/17/966615117.db2.gz	DRFXIUWVOJKGHA-RYQLBKOJSA-N	1	0	368.543	1.946	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)c3ccccc3CC)[C@@H]2C1	ZINC001188956006	966670515	/nfs/dbraw/zinc/67/05/15/966670515.db2.gz	BAUYKTGLBOWVJI-HHXXYDBFSA-N	1	0	353.466	1.533	20	30		FDEDRO
C=CCCCC(=O)N1CC[C@H]2C[N@@H+](CCN3C(=O)NC(C)(C)C3=O)C[C@H]21	ZINC001188985463	966685875	/nfs/dbraw/zinc/68/58/75/966685875.db2.gz	GDZOTPNIUKNIKI-LSDHHAIUSA-N	1	0	362.474	1.206	20	30		FDEDRO
C=CCCCC(=O)N1CC[C@H]2C[N@@H+](CCCNC(=O)C(F)(F)F)C[C@H]21	ZINC001189006884	966696538	/nfs/dbraw/zinc/69/65/38/966696538.db2.gz	LEKUNCRWZVAQOD-UONOGXRCSA-N	1	0	361.408	1.944	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3cncs3)[C@@H]2C1	ZINC001189144122	966790590	/nfs/dbraw/zinc/79/05/90/966790590.db2.gz	MOVVCVIPTRGHHZ-OFQRWUPVSA-N	1	0	362.499	1.299	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)CCC)C2	ZINC001110405701	966849465	/nfs/dbraw/zinc/84/94/65/966849465.db2.gz	JVIWUAPDQWCYRW-YJNKXOJESA-N	1	0	350.463	1.156	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCCC(F)(F)F)[C@@H]2C1	ZINC001189218553	966865811	/nfs/dbraw/zinc/86/58/11/966865811.db2.gz	OHPUKLXVNIRZSV-MELADBBJSA-N	1	0	361.408	1.942	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCC3CCOCC3)[C@@H]2C1	ZINC001189309967	966903044	/nfs/dbraw/zinc/90/30/44/966903044.db2.gz	CTFRSEKQVGWMQL-BPQIPLTHSA-N	1	0	363.502	1.417	20	30		FDEDRO
CN(C)C(=O)CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21	ZINC001189367616	966949574	/nfs/dbraw/zinc/94/95/74/966949574.db2.gz	SDACBJJKPTZMSB-FUHWJXTLSA-N	1	0	370.453	1.100	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1	ZINC000957640490	1013690279	/nfs/dbraw/zinc/69/02/79/1013690279.db2.gz	DYHARWLVTLOXMU-GUXCAODWSA-N	1	0	363.502	1.417	20	30		FDEDRO
N#Cc1ccc(OCCC[NH+]2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852192838	967081603	/nfs/dbraw/zinc/08/16/03/967081603.db2.gz	GTZQBXVHWAVSNF-UHFFFAOYSA-N	1	0	372.469	1.833	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](C[N@@H+]1CC[C@](O)(CC#N)C1)O2	ZINC000852206043	967096902	/nfs/dbraw/zinc/09/69/02/967096902.db2.gz	XJSMMSCOLSMFFQ-RHSMWYFYSA-N	1	0	351.447	1.505	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)COC)[C@@H]2C1	ZINC001189622995	967121166	/nfs/dbraw/zinc/12/11/66/967121166.db2.gz	WNDAGNVSCVCYKZ-FGTMMUONSA-N	1	0	363.502	1.392	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)[C@@H]2C1	ZINC001189647016	967125810	/nfs/dbraw/zinc/12/58/10/967125810.db2.gz	YMDJMHYXKXDVIL-QLFBSQMISA-N	1	0	362.474	1.204	20	30		FDEDRO
COCC#CCN1C[C@@H]2CCN(C(=O)c3cccc(C(=O)N(C)C)c3)[C@@H]2C1	ZINC001189828736	967286858	/nfs/dbraw/zinc/28/68/58/967286858.db2.gz	FBZOVMJVKMZGBY-RBUKOAKNSA-N	1	0	369.465	1.185	20	30		FDEDRO
C#CCC[NH+]1CCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1	ZINC000776594451	967294450	/nfs/dbraw/zinc/29/44/50/967294450.db2.gz	HCXHLPANHNRGGO-QGZVFWFLSA-N	1	0	359.433	1.865	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852455262	967334015	/nfs/dbraw/zinc/33/40/15/967334015.db2.gz	RZGMLPVBRLJFOB-DGCLKSJQSA-N	1	0	353.344	1.234	20	30		FDEDRO
CCOC(=O)CN(CC[NH3+])C(=O)c1cc(F)c(Cl)c(C#N)c1Cl	ZINC001189854740	967358136	/nfs/dbraw/zinc/35/81/36/967358136.db2.gz	AUFMZMVZNDLLGY-UHFFFAOYSA-N	1	0	362.188	1.968	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)N(CC)CCC#N)CCC1	ZINC001110651235	967418147	/nfs/dbraw/zinc/41/81/47/967418147.db2.gz	UJQFUOKCTPSICH-KURKYZTESA-N	1	0	370.497	1.664	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc4c(c3)COC4)[C@@H]2C1	ZINC001189936299	967435715	/nfs/dbraw/zinc/43/57/15/967435715.db2.gz	CIGMPDCESRRJRZ-FXAWDEMLSA-N	1	0	356.466	1.995	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3COc4ccccc4O3)[C@@H]2C1	ZINC001190019434	967467790	/nfs/dbraw/zinc/46/77/90/967467790.db2.gz	AUMDOQITHRYVAQ-FRQCXROJSA-N	1	0	358.438	1.562	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3nc(C)n(C)c3=O)[C@@H]2C1	ZINC001189999780	967491402	/nfs/dbraw/zinc/49/14/02/967491402.db2.gz	ZIZOLBTUTUAKHQ-DLBZAZTESA-N	1	0	361.490	1.169	20	30		FDEDRO
C=CCNC(=O)c1ccccc1NC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1	ZINC000852801813	967618121	/nfs/dbraw/zinc/61/81/21/967618121.db2.gz	ADGROIYNGYPLFM-CQSZACIVSA-N	1	0	368.441	1.761	20	30		FDEDRO
COc1cc(NC(=O)C#CC2CC[NH2+]CC2)c(C(=O)N(C)C)cc1OC	ZINC000852812085	967625490	/nfs/dbraw/zinc/62/54/90/967625490.db2.gz	NXSPHGLDWSQMHY-UHFFFAOYSA-N	1	0	359.426	1.347	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(NC(=O)C#CC3CC[NH2+]CC3)cc2)C[C@@H](C)O1	ZINC000852821018	967632611	/nfs/dbraw/zinc/63/26/11/967632611.db2.gz	WYYRKNFZHHDYJF-HZPDHXFCSA-N	1	0	369.465	1.878	20	30		FDEDRO
Cc1ccc(C(=O)NC2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)s1	ZINC000852825509	967636569	/nfs/dbraw/zinc/63/65/69/967636569.db2.gz	LPBHOOQMFJEQSX-UHFFFAOYSA-N	1	0	359.495	1.780	20	30		FDEDRO
Cc1ccc(NC(=O)C#CC2CC[NH2+]CC2)cc1S(=O)(=O)NC1CC1	ZINC000852845102	967652222	/nfs/dbraw/zinc/65/22/22/967652222.db2.gz	QNSSRDZGLKPGOC-UHFFFAOYSA-N	1	0	361.467	1.377	20	30		FDEDRO
CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)C#CC2CC[NH2+]CC2)C1	ZINC000852848623	967654256	/nfs/dbraw/zinc/65/42/56/967654256.db2.gz	OIHCYWKFZPPTHL-OAHLLOKOSA-N	1	0	373.419	1.639	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1	ZINC000852851527	967657349	/nfs/dbraw/zinc/65/73/49/967657349.db2.gz	FZOUGLQTSBUPJK-GUDVDZBRSA-N	1	0	351.450	1.263	20	30		FDEDRO
CSCC[C@@H](NC(=O)C#CC1CC[NH2+]CC1)c1nnc2ccccn21	ZINC000852856603	967660831	/nfs/dbraw/zinc/66/08/31/967660831.db2.gz	BUNHVDNBLDKESW-OAHLLOKOSA-N	1	0	357.483	1.643	20	30		FDEDRO
NC(=O)C1CCN(c2ccc(NC(=O)C#CC3CC[NH2+]CC3)cc2)CC1	ZINC000852864458	967669407	/nfs/dbraw/zinc/66/94/07/967669407.db2.gz	WYJIXSPNEFLEII-UHFFFAOYSA-N	1	0	354.454	1.330	20	30		FDEDRO
C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000852869711	967675587	/nfs/dbraw/zinc/67/55/87/967675587.db2.gz	DYKGBXCRCLMTHA-XLIONFOSSA-N	1	0	355.482	1.395	20	30		FDEDRO
C[C@H](CNC(=O)C#CC1CC[NH2+]CC1)N1CCN(c2ccccc2)CC1	ZINC000852873488	967680100	/nfs/dbraw/zinc/68/01/00/967680100.db2.gz	WKPTWRUMKAGFGX-GOSISDBHSA-N	1	0	354.498	1.316	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O	ZINC000852890135	967693002	/nfs/dbraw/zinc/69/30/02/967693002.db2.gz	ROTBOYIPOFGIMK-INIZCTEOSA-N	1	0	363.820	1.704	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCCS(=O)(=O)CCc2ccccc2)CCC[NH2+]1	ZINC000852891745	967693339	/nfs/dbraw/zinc/69/33/39/967693339.db2.gz	XIRJOWQNHXHCQK-SFHVURJKSA-N	1	0	350.484	1.458	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)N3CCCCC3)C[C@H]21	ZINC001190439709	967850662	/nfs/dbraw/zinc/85/06/62/967850662.db2.gz	BVLGMWDYKYFIKN-FGTMMUONSA-N	1	0	363.502	1.513	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](CCn3c(C)csc3=O)C[C@H]21	ZINC001190450222	967878916	/nfs/dbraw/zinc/87/89/16/967878916.db2.gz	TWJVARWKYGPNJT-OWCLPIDISA-N	1	0	365.499	1.342	20	30		FDEDRO
COc1cc(C)nc(N(C(=O)c2ccc(C#N)cn2)C2CC[NH2+]CC2)n1	ZINC001190590117	967971123	/nfs/dbraw/zinc/97/11/23/967971123.db2.gz	FEBUXYQWSCBCDS-UHFFFAOYSA-N	1	0	352.398	1.459	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccc(C(=O)Nc3cnc(C#N)cn3)cc2)CC1	ZINC001190831915	968113343	/nfs/dbraw/zinc/11/33/43/968113343.db2.gz	NIAWVQMRNCSCHJ-UHFFFAOYSA-N	1	0	350.426	1.738	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccc(C(=O)Nc3nnccc3C#N)cc2)CC1	ZINC001190841099	968118185	/nfs/dbraw/zinc/11/81/85/968118185.db2.gz	STKATSGYBTVUFO-UHFFFAOYSA-N	1	0	350.426	1.738	20	30		FDEDRO
C[C@]12COC[C@@H]1C[N@H+](CN1CC(=O)N(Cc3ccc(C#N)cc3)C1=O)C2	ZINC000853566843	968129757	/nfs/dbraw/zinc/12/97/57/968129757.db2.gz	RVJZWSMTIIPSGN-LPHOPBHVSA-N	1	0	354.410	1.248	20	30		FDEDRO
CCN(CN1C(=O)N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O)[C@H](C)C#N	ZINC000853578177	968138950	/nfs/dbraw/zinc/13/89/50/968138950.db2.gz	LDEMXWNUMXOKKB-UZLBHIALSA-N	1	0	369.469	1.764	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCCCC2CCOCC2)C[C@H]1O	ZINC001191614980	968621721	/nfs/dbraw/zinc/62/17/21/968621721.db2.gz	SKFQYYIIILADCI-QXAKKESOSA-N	1	0	368.518	1.726	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCCc2cccc(F)c2)C[C@H]1O	ZINC001191614912	968622148	/nfs/dbraw/zinc/62/21/48/968622148.db2.gz	QVUVHXKXUIXFLK-KFKAGJAMSA-N	1	0	364.461	1.901	20	30		FDEDRO
C#CCN(CC(=O)N1CCN(c2cc[nH+]cc2)CC1)C(=O)OC(C)(C)C	ZINC000854292287	968741167	/nfs/dbraw/zinc/74/11/67/968741167.db2.gz	YTXABHJEHUTOJZ-UHFFFAOYSA-N	1	0	358.442	1.601	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccc(C#N)cc3OC)CC[C@@H]2C1	ZINC001192256295	969008824	/nfs/dbraw/zinc/00/88/24/969008824.db2.gz	FHJWNUMNLHFKTQ-VQIMIIECSA-N	1	0	373.453	1.376	20	30		FDEDRO
Cc1ccccc1OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1	ZINC001192280558	969040405	/nfs/dbraw/zinc/04/04/05/969040405.db2.gz	DPESOZXXAQMMEP-QZTJIDSGSA-N	1	0	368.437	1.439	20	30		FDEDRO
CN1CC[NH+](CC2CN(C(=O)C#Cc3ccc(C(F)(F)F)cc3)C2)CC1	ZINC000854643911	969049180	/nfs/dbraw/zinc/04/91/80/969049180.db2.gz	AMPKNPRNADFYCQ-UHFFFAOYSA-N	1	0	365.399	1.763	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@@H+](CCCOCc2ccccc2)C[C@H]1O	ZINC001192320718	969061132	/nfs/dbraw/zinc/06/11/32/969061132.db2.gz	JHOYMQKGNXSAHG-WOJBJXKFSA-N	1	0	358.482	1.948	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)CC1	ZINC000775529512	969138888	/nfs/dbraw/zinc/13/88/88/969138888.db2.gz	SLIYWUIHNNHQPG-KRWDZBQOSA-N	1	0	351.454	1.300	20	30		FDEDRO
C[C@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1cccc(S(N)(=O)=O)c1	ZINC001192868966	969324786	/nfs/dbraw/zinc/32/47/86/969324786.db2.gz	JZIOGIGBIDKCCK-ZDUSSCGKSA-N	1	0	372.450	1.885	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1CN(Cc2cccc(OCCC)c2)C[C@H]1O	ZINC001192885580	969347675	/nfs/dbraw/zinc/34/76/75/969347675.db2.gz	AKPLXQSUKDOFMT-RTBURBONSA-N	1	0	360.454	1.177	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2)C[C@H]1O	ZINC001192892384	969351252	/nfs/dbraw/zinc/35/12/52/969351252.db2.gz	WYPGHZILKCDNHY-ATZDWAIDSA-N	1	0	358.482	1.684	20	30		FDEDRO
N#Cc1ccncc1C(=O)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1	ZINC001192967422	969407379	/nfs/dbraw/zinc/40/73/79/969407379.db2.gz	DWOIIKZNHFUVRB-KUHUBIRLSA-N	1	0	367.384	1.655	20	30		FDEDRO
C#C[C@H]([NH2+][C@@H](C)CC(=O)N1CCC(C(=O)OCC)CC1)[C@H]1CCCO1	ZINC000775573343	969492606	/nfs/dbraw/zinc/49/26/06/969492606.db2.gz	XXFCNWCSALMQGU-BHYGNILZSA-N	1	0	350.459	1.337	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1	ZINC001193127697	969494453	/nfs/dbraw/zinc/49/44/53/969494453.db2.gz	UJODFFUYQUGIEY-MXSMSXNCSA-N	1	0	362.499	1.856	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COc2cccc(C(C)C)c2)C1	ZINC001193174302	969502619	/nfs/dbraw/zinc/50/26/19/969502619.db2.gz	LJCSFERGNKTRCT-RTBURBONSA-N	1	0	362.470	1.553	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cn3cccn3)o2)C1	ZINC001193140739	969510138	/nfs/dbraw/zinc/51/01/38/969510138.db2.gz	GIUXDDPWGUDAKI-USXIJHARSA-N	1	0	358.442	1.654	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)nn2C)C1	ZINC001193247954	969576418	/nfs/dbraw/zinc/57/64/18/969576418.db2.gz	SZTKHPSVBBZVHM-DMDPSCGWSA-N	1	0	360.380	1.569	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(COC)CCOCC2)C1	ZINC001193569455	969741479	/nfs/dbraw/zinc/74/14/79/969741479.db2.gz	VSFWOFOUZJJPHJ-IAGOWNOFSA-N	1	0	354.491	1.337	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCc4ccccc43)C[C@H]2O)CCOCC1	ZINC001193717934	969839221	/nfs/dbraw/zinc/83/92/21/969839221.db2.gz	ADYHUPKHZCAEOM-VAMGGRTRSA-N	1	0	368.477	1.655	20	30		FDEDRO
C=CC[N@@H+](C)CCN(CC)[C@@H](C)C(=O)N1CCC[C@H](C(=O)OCC)C1	ZINC001193914175	969922574	/nfs/dbraw/zinc/92/25/74/969922574.db2.gz	QRSZRXGQKFSJDG-IRXDYDNUSA-N	1	0	353.507	1.616	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc(OC)ccc2OC)C1	ZINC001193919276	969924650	/nfs/dbraw/zinc/92/46/50/969924650.db2.gz	QQHJIEYFOMLLFK-ZTFGCOKTSA-N	1	0	362.470	1.762	20	30		FDEDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)c1cncc(C#N)c1)C2	ZINC001194104379	970019893	/nfs/dbraw/zinc/01/98/93/970019893.db2.gz	AYDJIUJXCFNHDV-UYAOXDASSA-N	1	0	354.454	1.774	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2COC)C1	ZINC001194201388	970047046	/nfs/dbraw/zinc/04/70/46/970047046.db2.gz	HMMGTLSQZZUBLE-NVXWUHKLSA-N	1	0	350.463	1.088	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)NCCCCCC)C1	ZINC000250287229	1013942926	/nfs/dbraw/zinc/94/29/26/1013942926.db2.gz	MTQOVDOTEVMMBA-HZPDHXFCSA-N	1	0	366.506	1.795	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nc(C)[nH]c3C2)C1	ZINC001194251565	970076227	/nfs/dbraw/zinc/07/62/27/970076227.db2.gz	PYCLCKIZBANVQB-ATZDWAIDSA-N	1	0	360.502	1.731	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3ccnc3)n2)C1	ZINC001194309164	970096963	/nfs/dbraw/zinc/09/69/63/970096963.db2.gz	RNRMGDRHTPDRLB-DJIMGWMZSA-N	1	0	355.442	1.397	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(NC(C)=O)n2)C1	ZINC001194376093	970136100	/nfs/dbraw/zinc/13/61/00/970136100.db2.gz	PLFQUERSOPHSQY-ZKYQVNSYSA-N	1	0	352.460	1.231	20	30		FDEDRO
C#Cc1cnc(NC(=O)c2ccc(N3CC[NH+](C)CC3)cc2F)c(C#C)n1	ZINC001194518174	970202531	/nfs/dbraw/zinc/20/25/31/970202531.db2.gz	GPGXQRAAZNSIEL-UHFFFAOYSA-N	1	0	363.396	1.582	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c4c(cccc42)CC3)C1	ZINC001194557238	970248878	/nfs/dbraw/zinc/24/88/78/970248878.db2.gz	RCFPZVQRAPJUCZ-WOJBJXKFSA-N	1	0	366.461	1.916	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)CC1	ZINC000855303431	970279615	/nfs/dbraw/zinc/27/96/15/970279615.db2.gz	CGUOASFAJRQBHC-FQEVSTJZSA-N	1	0	355.486	1.493	20	30		FDEDRO
CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC(=O)N(CCC#N)CCC#N)C1	ZINC000776824133	970552879	/nfs/dbraw/zinc/55/28/79/970552879.db2.gz	RVCBEFGZJQOOJR-CVEARBPZSA-N	1	0	363.462	1.489	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COc3cc(C)c(C)cc32)C1	ZINC001194982370	970585243	/nfs/dbraw/zinc/58/52/43/970585243.db2.gz	GRPXFPNVIUAEFE-KZNAEPCWSA-N	1	0	360.454	1.143	20	30		FDEDRO
C[NH+](C)C1(CC(=O)N[C@@H]2CN(Cc3cccc(C#N)c3)C[C@H]2O)CCCC1	ZINC001194996754	970596729	/nfs/dbraw/zinc/59/67/29/970596729.db2.gz	FOZMRDBPYKUVFI-RTBURBONSA-N	1	0	370.497	1.484	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CN(CCC#N)CCN3CCOCC3)cc2)CC1	ZINC000775633273	970654164	/nfs/dbraw/zinc/65/41/64/970654164.db2.gz	HNMMOMAWVRUCNP-UHFFFAOYSA-N	1	0	371.529	1.486	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)nc3onc(C)c32)C1	ZINC001195081790	970673013	/nfs/dbraw/zinc/67/30/13/970673013.db2.gz	VDLMIELWOVEEAO-APHBMKBZSA-N	1	0	358.442	1.969	20	30		FDEDRO
C#C[C@@H](NCC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)[C@H]1CCCO1	ZINC000775794167	972533413	/nfs/dbraw/zinc/53/34/13/972533413.db2.gz	PVCHUSDYICZLCZ-NHCUHLMSSA-N	1	0	369.509	1.800	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COC1CCOCC1	ZINC001110497267	972566099	/nfs/dbraw/zinc/56/60/99/972566099.db2.gz	RLXHXQSVAFALAU-RWQQGDIJSA-N	1	0	364.486	1.068	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@H]1O	ZINC001197947979	972584449	/nfs/dbraw/zinc/58/44/49/972584449.db2.gz	BPQMWMFAVNJGOZ-QZTJIDSGSA-N	1	0	362.449	1.091	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1	ZINC000957954929	1014045071	/nfs/dbraw/zinc/04/50/71/1014045071.db2.gz	AVTPNCAELMBGPN-IIDMSEBBSA-N	1	0	371.485	1.585	20	30		FDEDRO
Cn1ncc(I)c1C=NNCC[NH+]1CCCCC1	ZINC000863080692	972663415	/nfs/dbraw/zinc/66/34/15/972663415.db2.gz	JWEIAHWTFKMYDB-UHFFFAOYSA-N	1	0	361.231	1.434	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc2c(c1)nnn2C	ZINC001110500720	972696462	/nfs/dbraw/zinc/69/64/62/972696462.db2.gz	KEUFCWZQOHRWCS-DZJHOTPTSA-N	1	0	369.469	1.517	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C(N)=O)cc1	ZINC001110501004	972731608	/nfs/dbraw/zinc/73/16/08/972731608.db2.gz	URZIWBAGJSFMTR-WWNBULGVSA-N	1	0	357.454	1.334	20	30		FDEDRO
C=CCN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)CCCCCCCC)C2)C1=O	ZINC001198087467	972740927	/nfs/dbraw/zinc/74/09/27/972740927.db2.gz	DCLPDWINGXKGNW-FGTMMUONSA-N	1	0	365.518	1.685	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCc3ccccc3C2)C1	ZINC001198127550	972768968	/nfs/dbraw/zinc/76/89/68/972768968.db2.gz	RJMDIQUWHCNASR-NSISKUIASA-N	1	0	358.482	1.546	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@H+](C[C@@H](OC)C3CCC3)C[C@H]2O)CCOCC1	ZINC001198239921	972928391	/nfs/dbraw/zinc/92/83/91/972928391.db2.gz	WRKASPYEQVXJRI-KZNAEPCWSA-N	1	0	366.502	1.336	20	30		FDEDRO
Cn1nc(CON=C(N)c2ccc(CN3CCOCC3)cc2)cc1Cl	ZINC000863456324	972934947	/nfs/dbraw/zinc/93/49/47/972934947.db2.gz	OYHCKAOEZBIEAG-UHFFFAOYSA-N	1	0	363.849	1.743	20	30		FDEDRO
NC(=[NH+]OCCOC1CCOCC1)c1ccc(N2CCC(O)CC2)cc1	ZINC000863458194	972936356	/nfs/dbraw/zinc/93/63/56/972936356.db2.gz	WKGAPYUFFYNUEV-UHFFFAOYSA-N	1	0	363.458	1.480	20	30		FDEDRO
N#Cc1ccc([N+](=O)[O-])c(N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1	ZINC000863477818	972940762	/nfs/dbraw/zinc/94/07/62/972940762.db2.gz	WOEPVAZZFTTWPZ-CVEARBPZSA-N	1	0	357.370	1.228	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)c3ccccc3o2)C1	ZINC001198277082	972944398	/nfs/dbraw/zinc/94/43/98/972944398.db2.gz	ZHKJARSBXIWQBJ-YSVLISHTSA-N	1	0	356.422	1.923	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ccccc3oc2=O)C1	ZINC001198297788	972961517	/nfs/dbraw/zinc/96/15/17/972961517.db2.gz	GEMLJXWWYBVKOM-KBRIMQKVSA-N	1	0	356.422	1.923	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nc3nccc(C)n3n2)C1	ZINC001198345397	973002812	/nfs/dbraw/zinc/00/28/12/973002812.db2.gz	GUODDXOIHRXLSR-HUUCEWRRSA-N	1	0	360.462	1.178	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCOc2ccccc2OC)C1	ZINC001198345475	973002941	/nfs/dbraw/zinc/00/29/41/973002941.db2.gz	LKWYLIWTNZIGEC-BRWVUGGUSA-N	1	0	362.470	1.980	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCOCC1	ZINC000863552328	973010520	/nfs/dbraw/zinc/01/05/20/973010520.db2.gz	XJYTUQCPOHQXAQ-LJQANCHMSA-N	1	0	359.470	1.684	20	30		FDEDRO
COc1ccc(OC)c([C@@H](O)C[NH2+]C[C@@H](O)COc2ccccc2C#N)c1	ZINC000863559795	973017174	/nfs/dbraw/zinc/01/71/74/973017174.db2.gz	VGHUVRCNILGYPZ-QAPCUYQASA-N	1	0	372.421	1.638	20	30		FDEDRO
C[C@@H](CC[NH2+]C[C@H](O)CC1(C#N)CCOCC1)NC(=O)OC(C)(C)C	ZINC000863562424	973018162	/nfs/dbraw/zinc/01/81/62/973018162.db2.gz	ISFZXAFNEOSOBM-LSDHHAIUSA-N	1	0	355.479	1.951	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1	ZINC000645164681	1014091037	/nfs/dbraw/zinc/09/10/37/1014091037.db2.gz	RYDFAWHIUPZHEY-PMACEKPBSA-N	1	0	372.513	1.439	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C	ZINC000863800035	973219756	/nfs/dbraw/zinc/21/97/56/973219756.db2.gz	VUSUQLHVWRWSCN-INIZCTEOSA-N	1	0	367.453	1.332	20	30		FDEDRO
C=CCOC(=O)N[C@@H]1CCCN(C(=O)c2cncn2-c2cc[nH+]cc2)C1	ZINC001198549342	973279152	/nfs/dbraw/zinc/27/91/52/973279152.db2.gz	ORDLWLAKTIBDAS-CQSZACIVSA-N	1	0	355.398	1.784	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COc2ccccc2Cl)C1	ZINC001198599603	973301681	/nfs/dbraw/zinc/30/16/81/973301681.db2.gz	IFCSCFWKKHIMIK-HUUCEWRRSA-N	1	0	354.834	1.083	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccc(Cl)s2)C1	ZINC001198662802	973387256	/nfs/dbraw/zinc/38/72/56/973387256.db2.gz	WFCKKSRIGMNAKK-ZIAGYGMSSA-N	1	0	358.891	1.698	20	30		FDEDRO
N#Cc1ccc([C@H](O)C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)cc1	ZINC000794590206	973407060	/nfs/dbraw/zinc/40/70/60/973407060.db2.gz	CEHSKUQKNBTHDZ-MOPGFXCFSA-N	1	0	351.406	1.797	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCc2cc(C)ccc2C)C1	ZINC001198910633	973669453	/nfs/dbraw/zinc/66/94/53/973669453.db2.gz	HFLRNVUFCNVFPG-WOJBJXKFSA-N	1	0	360.498	1.990	20	30		FDEDRO
C=C[C@H](CC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)c1ccccc1	ZINC001198939577	973713459	/nfs/dbraw/zinc/71/34/59/973713459.db2.gz	AFDLKLGOFFFDTC-MISYRCLQSA-N	1	0	358.482	1.934	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)N2CCCCC2=O)C1	ZINC001198991185	973815090	/nfs/dbraw/zinc/81/50/90/973815090.db2.gz	YGYJOKIZRIYAQX-BRWVUGGUSA-N	1	0	353.507	1.519	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@]3(C#N)CCCOC3)cc2)CC1	ZINC000864879716	973917811	/nfs/dbraw/zinc/91/78/11/973917811.db2.gz	OUDHVRMDDIWAHS-OAQYLSRUSA-N	1	0	370.497	1.761	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3OCC#N)CC[C@@H]21	ZINC000120319053	973967943	/nfs/dbraw/zinc/96/79/43/973967943.db2.gz	YHDNDAMSIPNKDI-CJNGLKHVSA-N	1	0	374.416	1.609	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1cscc1Br	ZINC000867311223	974149876	/nfs/dbraw/zinc/14/98/76/974149876.db2.gz	JRYVTFSGFRAYGU-UHFFFAOYSA-N	1	0	351.291	1.744	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccc(OC)c(Cl)c2)C[C@H]1O	ZINC001199312276	974151535	/nfs/dbraw/zinc/15/15/35/974151535.db2.gz	DORJBLHMJJJZPO-APHBMKBZSA-N	1	0	368.861	1.601	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@H]2O)CCCCC1	ZINC001199278235	974161153	/nfs/dbraw/zinc/16/11/53/974161153.db2.gz	UGAJFXMMLAPUHY-RTBURBONSA-N	1	0	362.514	1.938	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]C[C@@]1(N2CCOCC2)CCSC1	ZINC000865426404	974290994	/nfs/dbraw/zinc/29/09/94/974290994.db2.gz	NUYPHLNMZAIGAP-IBGZPJMESA-N	1	0	360.527	1.922	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]CCNS(=O)(=O)c1ccccc1	ZINC000865433350	974294754	/nfs/dbraw/zinc/29/47/54/974294754.db2.gz	OIBJWXUMUAPITG-UHFFFAOYSA-N	1	0	358.467	1.692	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCC(F)(F)F	ZINC001110533707	974311409	/nfs/dbraw/zinc/31/14/09/974311409.db2.gz	CFTJLDHDBZBVCW-BARDWOONSA-N	1	0	362.392	1.307	20	30		FDEDRO
Cn1c(=O)oc2ccc(CN3[C@@H]4CC[C@H]3[C@H](NC(=O)C#CC3CC3)C4)cc21	ZINC001110540432	974461840	/nfs/dbraw/zinc/46/18/40/974461840.db2.gz	RLRGWRKBFJRKGC-ZACQAIPSSA-N	1	0	365.433	1.766	20	30		FDEDRO
COc1ccc(C[NH2+]Cc2ccc(CN3C(=O)CNC3=O)cc2)cc1C#N	ZINC000865773595	974480906	/nfs/dbraw/zinc/48/09/06/974480906.db2.gz	VXIWRYAQPUZEGZ-UHFFFAOYSA-N	1	0	364.405	1.908	20	30		FDEDRO
N#C[C@]1(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CCCOC1	ZINC000865835458	974525070	/nfs/dbraw/zinc/52/50/70/974525070.db2.gz	ZTSSRJKJMJOSKI-HXUWFJFHSA-N	1	0	357.454	1.580	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC[C@@H]1CCCCO1	ZINC001110551051	974733893	/nfs/dbraw/zinc/73/38/93/974733893.db2.gz	MVSSTGFVIGVHLH-HCXYKTFWSA-N	1	0	364.486	1.334	20	30		FDEDRO
C=CCn1c(=O)ccc2c1CC[C@@H](NC(=S)NCC[NH+]1CCCCC1)C2	ZINC001200437868	974767006	/nfs/dbraw/zinc/76/70/06/974767006.db2.gz	LCAXIQSZPNFRPV-QGZVFWFLSA-N	1	0	374.554	1.842	20	30		FDEDRO
C=CCn1c(=O)ccc2c1CC[C@H](NC(=S)NCC[NH+]1CCCCC1)C2	ZINC001200437867	974767580	/nfs/dbraw/zinc/76/75/80/974767580.db2.gz	LCAXIQSZPNFRPV-KRWDZBQOSA-N	1	0	374.554	1.842	20	30		FDEDRO
C=CCN1CC[C@@]2(CCCN(C(=S)NCC[NH+]3CCCCC3)C2)C1=O	ZINC001200424027	974782732	/nfs/dbraw/zinc/78/27/32/974782732.db2.gz	WEEMBBSKNBELSG-LJQANCHMSA-N	1	0	364.559	1.847	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCOCCCC)C1	ZINC001200529722	974809944	/nfs/dbraw/zinc/80/99/44/974809944.db2.gz	XXVZEJNQKKFNGK-OTWHNJEPSA-N	1	0	368.518	1.991	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]CCOC[C@H]2CCCO2)CC1	ZINC001200637557	974854420	/nfs/dbraw/zinc/85/44/20/974854420.db2.gz	XHNXQQIWDCURSS-QRVBRYPASA-N	1	0	366.502	1.744	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1	ZINC001110559681	974947419	/nfs/dbraw/zinc/94/74/19/974947419.db2.gz	IBSHODJWDXVDNC-KURKYZTESA-N	1	0	361.490	1.763	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CCC([NH2+]CC#Cc3ccccc3)CC2)O1	ZINC001201230809	974974931	/nfs/dbraw/zinc/97/49/31/974974931.db2.gz	WANNUQBWDKPKDQ-YLJYHZDGSA-N	1	0	355.482	1.338	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)CCCO1	ZINC001201437330	975060471	/nfs/dbraw/zinc/06/04/71/975060471.db2.gz	CBFGFCVXMJFEEU-RRFJBIMHSA-N	1	0	352.866	1.483	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCOCC2CC2)C1	ZINC001201437643	975060657	/nfs/dbraw/zinc/06/06/57/975060657.db2.gz	GACASWQAGANOFT-KURKYZTESA-N	1	0	352.475	1.211	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CC1	ZINC001201677919	975106907	/nfs/dbraw/zinc/10/69/07/975106907.db2.gz	VUCJCPLWTIDTEF-OIISXLGYSA-N	1	0	351.491	1.735	20	30		FDEDRO
Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H]1CCCN(O)C1=O	ZINC000866108400	975409962	/nfs/dbraw/zinc/40/99/62/975409962.db2.gz	SCLKKLBDTDOMRW-MRXNPFEDSA-N	1	0	361.446	1.249	20	30		FDEDRO
C#C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1	ZINC000847560783	975827583	/nfs/dbraw/zinc/82/75/83/975827583.db2.gz	KLHRVFHOIXXHCT-INIZCTEOSA-N	1	0	357.454	1.827	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CC[NH+](C(C)(C)CC)CC2)cc1	ZINC000847578039	975855147	/nfs/dbraw/zinc/85/51/47/975855147.db2.gz	WEXJDUYQEYTECZ-UHFFFAOYSA-N	1	0	357.454	1.970	20	30		FDEDRO
C[N@@H+]1CC[C@H](CCOC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1	ZINC000847828315	976074876	/nfs/dbraw/zinc/07/48/76/976074876.db2.gz	AKTCDUJTLMUNRJ-CQSZACIVSA-N	1	0	365.455	1.377	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000867582231	976422034	/nfs/dbraw/zinc/42/20/34/976422034.db2.gz	QHEOTVAAQIEIOH-UHFFFAOYSA-N	1	0	369.462	1.676	20	30		FDEDRO
C=C(Cl)C[C@H](NS(=O)(=O)CCC[NH+]1CCCC1)C(=O)OCC	ZINC000867588662	976442739	/nfs/dbraw/zinc/44/27/39/976442739.db2.gz	HLONOHJBOKLXKE-ZDUSSCGKSA-N	1	0	352.884	1.466	20	30		FDEDRO
O=S(=O)(NC1CC1)c1ccc(N=NC2CCC[N@@H+]3CCCC[C@@H]23)nc1	ZINC000848404229	976720836	/nfs/dbraw/zinc/72/08/36/976720836.db2.gz	HRCKRFZGZRNEQJ-INIZCTEOSA-N	1	0	363.487	1.939	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCCCNC(=O)c1ccccc1	ZINC000867943420	977121739	/nfs/dbraw/zinc/12/17/39/977121739.db2.gz	UWHMZDJWHZHTOR-LJQANCHMSA-N	1	0	362.433	1.681	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC(C(=O)N2CCCC2)CC1	ZINC000867947190	977127029	/nfs/dbraw/zinc/12/70/29/977127029.db2.gz	BJVFVFCWCMXDSI-LJQANCHMSA-N	1	0	366.465	1.606	20	30		FDEDRO
C[C@H](N1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1)C(F)(F)F	ZINC000867958428	977141706	/nfs/dbraw/zinc/14/17/06/977141706.db2.gz	RHEMXIAVIABBJP-BLLLJJGKSA-N	1	0	366.387	1.840	20	30		FDEDRO
COC(=O)c1cccc(CCNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)c1	ZINC000867977008	977159618	/nfs/dbraw/zinc/15/96/18/977159618.db2.gz	YWDSRPXNJCCJNZ-LJQANCHMSA-N	1	0	363.417	1.891	20	30		FDEDRO
C[NH+]=C(NCCNS(=O)(=O)c1ccc(F)cc1F)NCc1ccco1	ZINC000849107632	977318816	/nfs/dbraw/zinc/31/88/16/977318816.db2.gz	GGHHNEBRNORKCO-UHFFFAOYSA-N	1	0	372.397	1.201	20	30		FDEDRO
CN1CCC[NH+]=C1NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N	ZINC000849112130	977323629	/nfs/dbraw/zinc/32/36/29/977323629.db2.gz	WTVYHKYGSWHNDK-UHFFFAOYSA-N	1	0	355.421	1.679	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCCC3(O)CCC3)=[NH+]C[C@@H]2C1	ZINC000849118099	977330457	/nfs/dbraw/zinc/33/04/57/977330457.db2.gz	JDAVMCDJZCKPLO-CQSZACIVSA-N	1	0	352.479	1.562	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)NC2CCN(CC#N)CC2)(c2ccccc2)CC1	ZINC000868225699	977362641	/nfs/dbraw/zinc/36/26/41/977362641.db2.gz	RUTJKXOOYHAARJ-UHFFFAOYSA-N	1	0	369.513	1.937	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1	ZINC000868267317	977419481	/nfs/dbraw/zinc/41/94/81/977419481.db2.gz	HFQQWDLCUXIGSJ-CQSZACIVSA-N	1	0	361.417	1.671	20	30		FDEDRO
C[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)CCc1cccc(C#N)c1	ZINC000868300166	977470698	/nfs/dbraw/zinc/47/06/98/977470698.db2.gz	UFPBMEAXMGKZMW-UHFFFAOYSA-N	1	0	350.422	1.917	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)cc1	ZINC000108611111	977608283	/nfs/dbraw/zinc/60/82/83/977608283.db2.gz	DQCJXDPCBBPKNV-UHFFFAOYSA-N	1	0	357.454	1.827	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1	ZINC000122152150	977621099	/nfs/dbraw/zinc/62/10/99/977621099.db2.gz	GAGMBANDQOHLIN-QAPCUYQASA-N	1	0	355.438	1.580	20	30		FDEDRO
Cc1cc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)n(CCC#N)n1	ZINC000849508265	977702078	/nfs/dbraw/zinc/70/20/78/977702078.db2.gz	UAYCQYIJKBXSGW-HZPDHXFCSA-N	1	0	355.446	1.513	20	30		FDEDRO
CC(C)C[C@H](NC(=O)[C@@]1(C#N)CCCOC1)C(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000868545121	977758679	/nfs/dbraw/zinc/75/86/79/977758679.db2.gz	MKUGAMHYVHMHKG-JTDSTZFVSA-N	1	0	364.490	1.000	20	30		FDEDRO
C#CCCN(CC(F)(F)F)C(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1	ZINC000849575936	977778397	/nfs/dbraw/zinc/77/83/97/977778397.db2.gz	BQEGSMWMUQLOKR-LSDHHAIUSA-N	1	0	356.392	1.870	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@]1(CNC(=O)OC(C)(C)C)CCCOC1	ZINC000868581900	977790657	/nfs/dbraw/zinc/79/06/57/977790657.db2.gz	NPIFFBPMTYIXDW-IBGZPJMESA-N	1	0	367.490	1.379	20	30		FDEDRO
CCOC(=O)NC1CCC([NH2+]CCNC(=O)C2N=CC=CC2=O)CC1	ZINC000850441942	978373099	/nfs/dbraw/zinc/37/30/99/978373099.db2.gz	FFOSWEUEHJMHLM-NXVVXOECSA-N	1	0	350.419	1.160	20	30		FDEDRO
C#CCCN(CCOC)C(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1	ZINC000850709885	978636294	/nfs/dbraw/zinc/63/62/94/978636294.db2.gz	KWTVHMGGTDAUPJ-UHFFFAOYSA-N	1	0	351.491	1.065	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(C(C)(C)C)c1C)C2	ZINC001110626569	978723140	/nfs/dbraw/zinc/72/31/40/978723140.db2.gz	GOAZTMHVHWYDKI-OIISXLGYSA-N	1	0	373.501	1.584	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCS1(=O)=O)C2	ZINC001110629151	978822828	/nfs/dbraw/zinc/82/28/28/978822828.db2.gz	HJENDJUSPTVRMX-ZACQAIPSSA-N	1	0	369.531	1.490	20	30		FDEDRO
CC(=O)N1C[C@@H]2C[N@H+]([C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C[C@@H]2C1	ZINC000880311095	979089209	/nfs/dbraw/zinc/08/92/09/979089209.db2.gz	UKSSQOFLULRFAM-IWYTXGCISA-N	1	0	360.502	1.716	20	30		FDEDRO
COc1cccc2c1CC[C@]2(CO)[NH2+]C[C@H](O)COc1ccccc1C#N	ZINC000880382177	979145999	/nfs/dbraw/zinc/14/59/99/979145999.db2.gz	MAYWJKVRMNUJHY-HRAATJIYSA-N	1	0	368.433	1.730	20	30		FDEDRO
CCOP(=O)(OCC)[C@H](O)C[NH+]1CCN(c2cccc(C#N)n2)CC1	ZINC000851936908	979201004	/nfs/dbraw/zinc/20/10/04/979201004.db2.gz	CCURHXPTQUQIRD-INIZCTEOSA-N	1	0	368.374	1.660	20	30		FDEDRO
C#CCC1(O)CC[NH+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1	ZINC000880481172	979221826	/nfs/dbraw/zinc/22/18/26/979221826.db2.gz	GQLNGGOSYJCFQK-UHFFFAOYSA-N	1	0	351.450	1.903	20	30		FDEDRO
COc1ccc(NC(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1C#N	ZINC000880875397	979506912	/nfs/dbraw/zinc/50/69/12/979506912.db2.gz	POGXLINTCLQBJH-UHFFFAOYSA-N	1	0	373.457	1.489	20	30		FDEDRO
N#Cc1ccsc1NC(=O)Cn1cc(CCCN2CCOCC2)nn1	ZINC000880981890	979560407	/nfs/dbraw/zinc/56/04/07/979560407.db2.gz	FFSGMECYRHLRIF-UHFFFAOYSA-N	1	0	360.443	1.115	20	30		FDEDRO
C[C@H]1CN(C(=O)Nc2cccc(CC#N)n2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000881148855	979718150	/nfs/dbraw/zinc/71/81/50/979718150.db2.gz	GQGWHTWZEVRINW-DOTOQJQBSA-N	1	0	356.474	1.637	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@H]2CCCC[N@@H+]2C)C1	ZINC000968115789	1014674573	/nfs/dbraw/zinc/67/45/73/1014674573.db2.gz	PQIMPGIROZIRGT-SQNIBIBYSA-N	1	0	363.502	1.511	20	30		FDEDRO
CC[N@@H+]1CC[C@@H]1CNC(=O)COc1cccc(Br)c1C#N	ZINC000882493683	980677261	/nfs/dbraw/zinc/67/72/61/980677261.db2.gz	JXCAZFRFCFTOCP-LLVKDONJSA-N	1	0	352.232	1.910	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)CCN1c1cc[nH+]cc1	ZINC000882620809	980761008	/nfs/dbraw/zinc/76/10/08/980761008.db2.gz	WMJRNTKBIROWDD-CYBMUJFWSA-N	1	0	360.414	1.992	20	30		FDEDRO
COc1cc(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)ccc1C#N	ZINC000882637432	980775029	/nfs/dbraw/zinc/77/50/29/980775029.db2.gz	NQMWUVXXCATFLO-SFHVURJKSA-N	1	0	372.469	1.093	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNS(=O)(=O)c3cccnc3C#N)cc2)CC1	ZINC000882662574	980801871	/nfs/dbraw/zinc/80/18/71/980801871.db2.gz	JKTSATVWXCXLGK-UHFFFAOYSA-N	1	0	371.466	1.184	20	30		FDEDRO
N#Cc1c(Cl)nsc1N1CCC(C(N)=O)([NH+]2CCCCC2)CC1	ZINC000882816726	981709856	/nfs/dbraw/zinc/70/98/56/981709856.db2.gz	XHZCJVZZUBPHBM-UHFFFAOYSA-N	1	0	353.879	1.978	20	30		FDEDRO
CCOC(=O)c1[nH]c(C)c(C[NH2+]CCNC(=O)C2N=CC=CC2=O)c1C	ZINC000858137112	981854742	/nfs/dbraw/zinc/85/47/42/981854742.db2.gz	GERPXRLOOBSYKZ-WUKNDPDISA-N	1	0	360.414	1.424	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1	ZINC000858204227	981912773	/nfs/dbraw/zinc/91/27/73/981912773.db2.gz	KHTYFBDTVYJUEO-INIZCTEOSA-N	1	0	351.491	1.748	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1	ZINC000858204228	981912834	/nfs/dbraw/zinc/91/28/34/981912834.db2.gz	KHTYFBDTVYJUEO-MRXNPFEDSA-N	1	0	351.491	1.748	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)cc1C#N	ZINC000883372020	982101238	/nfs/dbraw/zinc/10/12/38/982101238.db2.gz	ITUSNKKYTANMOT-LJQANCHMSA-N	1	0	358.486	1.453	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)N[C@@H]2CC[N@@H+](CCCOCC)C[C@H]2C)CC1	ZINC000883420702	982132559	/nfs/dbraw/zinc/13/25/59/982132559.db2.gz	RNDVMLHGEMSZRS-QZTJIDSGSA-N	1	0	365.518	1.683	20	30		FDEDRO
CC[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000883600862	982297760	/nfs/dbraw/zinc/29/77/60/982297760.db2.gz	LCEWWZFLJAIXLD-IAGOWNOFSA-N	1	0	355.442	1.447	20	30		FDEDRO
C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)Nc1ccc(C3CC3)c(C#N)c1)C2	ZINC000883611928	982309077	/nfs/dbraw/zinc/30/90/77/982309077.db2.gz	NRDXMKUSXFCTGM-BGYRXZFFSA-N	1	0	352.438	1.832	20	30		FDEDRO
C#CCNc1nc(NC[C@H]2C[C@@H](OC)C2)[nH+]c(NC[C@H]2C[C@@H](OC)C2)n1	ZINC000858854362	982335857	/nfs/dbraw/zinc/33/58/57/982335857.db2.gz	WQSFOGRWWKWFGK-VLRMEEEOSA-N	1	0	360.462	1.591	20	30		FDEDRO
C=C(C)C[C@@H](CO)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000883647816	982343694	/nfs/dbraw/zinc/34/36/94/982343694.db2.gz	FJPPGKQDYGJUNR-RBUKOAKNSA-N	1	0	361.486	1.904	20	30		FDEDRO
C=C(C)C[C@@H](CO)NC(=O)NC[C@@H]1CN(Cc2cccc(C)c2)CCO1	ZINC000883804190	982482641	/nfs/dbraw/zinc/48/26/41/982482641.db2.gz	YHVNGHRNUXGABF-RBUKOAKNSA-N	1	0	361.486	1.822	20	30		FDEDRO
N#CC1(C[C@H](O)CN2CCC[N@H+](C[C@H]3CCCO3)CC2)CCOCC1	ZINC000859073203	982504947	/nfs/dbraw/zinc/50/49/47/982504947.db2.gz	GCDTZICVSUJFLW-ZWKOTPCHSA-N	1	0	351.491	1.244	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2CC(C)C)CC1	ZINC001202559305	982527992	/nfs/dbraw/zinc/52/79/92/982527992.db2.gz	ACHZPJMRERPIDS-GDBMZVCRSA-N	1	0	364.490	1.261	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)C(=O)N(C)C(C)C)CC1	ZINC001202559948	982560382	/nfs/dbraw/zinc/56/03/82/982560382.db2.gz	VFBLLPOUKJASLE-UAGQMJEPSA-N	1	0	351.491	1.413	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000859131281	982562385	/nfs/dbraw/zinc/56/23/85/982562385.db2.gz	NWRSUTOCAOYCDZ-CABCVRRESA-N	1	0	353.463	1.657	20	30		FDEDRO
CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000859158616	982584313	/nfs/dbraw/zinc/58/43/13/982584313.db2.gz	FTZYFGPKEOTLHQ-JKSUJKDBSA-N	1	0	367.490	1.999	20	30		FDEDRO
N#CC1(C[C@H](O)CN2CCOC[C@H]2C[C@@H](O)c2ccccc2)CCOCC1	ZINC000859165278	982589653	/nfs/dbraw/zinc/58/96/53/982589653.db2.gz	GLVJCASKUOUXGG-HSALFYBXSA-N	1	0	374.481	1.882	20	30		FDEDRO
CCN(C[C@@H]1COc2ccccc2O1)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884053865	982772505	/nfs/dbraw/zinc/77/25/05/982772505.db2.gz	JJBVLCFGJHMZLP-QNBXZPKWSA-N	1	0	355.438	1.814	20	30		FDEDRO
Cc1cc(C)c(NC(=O)CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c(C)c1	ZINC000884055643	982777593	/nfs/dbraw/zinc/77/75/93/982777593.db2.gz	USALRMWKGXYBCS-LFDOHDQPSA-N	1	0	354.454	1.806	20	30		FDEDRO
C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCC[NH+]1CCCC1	ZINC000800186664	982789273	/nfs/dbraw/zinc/78/92/73/982789273.db2.gz	YTLCRLFVHNVHBW-AWEZNQCLSA-N	1	0	365.455	1.254	20	30		FDEDRO
COc1ccc(OC)c2c1CN(C(=O)C1CC3(C1)C[NH2+]C[C@@H]3C#N)C[C@H]2O	ZINC000884060909	982791938	/nfs/dbraw/zinc/79/19/38/982791938.db2.gz	OVAQKNXVVZXVMK-YYQKHXEJSA-N	1	0	371.437	1.219	20	30		FDEDRO
C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884075678	982825698	/nfs/dbraw/zinc/82/56/98/982825698.db2.gz	HFHSRPWEIYEGSM-IRDXTQHGSA-N	1	0	355.438	1.992	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCc1nnc(C)s1)C2	ZINC001110774228	982829406	/nfs/dbraw/zinc/82/94/06/982829406.db2.gz	DALKRPKEIZAFGT-KFWWJZLASA-N	1	0	366.487	1.287	20	30		FDEDRO
CCCCNC(=O)c1ccc(CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1	ZINC000884092924	982854497	/nfs/dbraw/zinc/85/44/97/982854497.db2.gz	UBYWDZVDRPUUPE-IDYZSHNDSA-N	1	0	368.481	1.972	20	30		FDEDRO
COc1ccc(CCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c(OC)c1OC	ZINC000884102659	982868593	/nfs/dbraw/zinc/86/85/93/982868593.db2.gz	JIHCRSPKMOBVBR-CHWWFWEZSA-N	1	0	373.453	1.510	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000884106185	982874559	/nfs/dbraw/zinc/87/45/59/982874559.db2.gz	JIOVHLPYBQAGRK-MRXNPFEDSA-N	1	0	364.490	1.783	20	30		FDEDRO
COc1ccc(CCCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc1OC	ZINC000884107541	982876688	/nfs/dbraw/zinc/87/66/88/982876688.db2.gz	ZKODTSCNHNCOCG-NGEICVOHSA-N	1	0	357.454	1.892	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCN(Cc3ccccc3)C1=O)C2	ZINC000884110190	982882104	/nfs/dbraw/zinc/88/21/04/982882104.db2.gz	BMHONGNCCZXNTN-MUZJZNNISA-N	1	0	352.438	1.043	20	30		FDEDRO
Cc1cc(N2CCC[C@@H](N3CC[NH+](CCCCC#N)CC3)C2=O)n(C)n1	ZINC000331509860	982899925	/nfs/dbraw/zinc/89/99/25/982899925.db2.gz	UKDUOGOUZKEDCB-QGZVFWFLSA-N	1	0	358.490	1.535	20	30		FDEDRO
COC(=O)[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)Cc1cccc(F)c1	ZINC000884128786	982911102	/nfs/dbraw/zinc/91/11/02/982911102.db2.gz	NYLGCLJQFSIEOM-OXJONJSCSA-N	1	0	373.428	1.413	20	30		FDEDRO
COC(=O)c1cn([C@H]2CCN([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)nn1	ZINC000331605184	982915369	/nfs/dbraw/zinc/91/53/69/982915369.db2.gz	VESMYKDXJUIJRZ-KGLIPLIRSA-N	1	0	374.445	1.043	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCCCC(=O)N1Cc3ccccc3C1)C2	ZINC000884135531	982918897	/nfs/dbraw/zinc/91/88/97/982918897.db2.gz	MLXDQKZXUPIDNK-WBTXTPOCSA-N	1	0	366.465	1.565	20	30		FDEDRO
CCNC(=O)N1CCc2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)cc21	ZINC000884152744	982931445	/nfs/dbraw/zinc/93/14/45/982931445.db2.gz	SKCODFPZTHNPDC-CHWWFWEZSA-N	1	0	367.453	1.856	20	30		FDEDRO
Cc1ccc(N2CCC[C@@H](NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)C2=O)cc1	ZINC000884156891	982933945	/nfs/dbraw/zinc/93/39/45/982933945.db2.gz	OTVUNBTYGLPZKY-QVFKTBPPSA-N	1	0	366.465	1.746	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1cccn(Cc3ccccc3)c1=O)C2	ZINC000884162512	982938839	/nfs/dbraw/zinc/93/88/39/982938839.db2.gz	GZLVKOQWBVQFEI-BATSVXPKSA-N	1	0	362.433	1.974	20	30		FDEDRO
COc1cc(OC)cc(OCCCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c1	ZINC000884172257	982945782	/nfs/dbraw/zinc/94/57/82/982945782.db2.gz	PVVJSECJTRBPTQ-CHWWFWEZSA-N	1	0	373.453	1.728	20	30		FDEDRO
COc1ccccc1N1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1	ZINC000884175308	982947639	/nfs/dbraw/zinc/94/76/39/982947639.db2.gz	OZEDINNOOLZLLX-NGEICVOHSA-N	1	0	354.454	1.483	20	30		FDEDRO
COc1cccc(N2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CC2)c1	ZINC000884177910	982950049	/nfs/dbraw/zinc/95/00/49/982950049.db2.gz	WJIPXOAFQJASAE-LFDOHDQPSA-N	1	0	354.454	1.483	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCN(CCc3ccccc3)CC1)C2	ZINC000884181618	982957397	/nfs/dbraw/zinc/95/73/97/982957397.db2.gz	KRJSSCLMPYDJSN-SCCNAQOGSA-N	1	0	352.482	1.513	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccccc1Cn1cncn1)C2	ZINC000884186857	982962915	/nfs/dbraw/zinc/96/29/15/982962915.db2.gz	LWHMEDCPHDGGNO-TVRKMHQQSA-N	1	0	350.426	1.082	20	30		FDEDRO
Cc1noc(CCC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(C#N)[nH]2)C3)n1	ZINC001095327768	982964085	/nfs/dbraw/zinc/96/40/85/982964085.db2.gz	FODDOLDLNKBMDO-KBMXLJTQSA-N	1	0	354.414	1.546	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](O)Cc2ccccc2)[nH]1	ZINC001095327947	982984758	/nfs/dbraw/zinc/98/47/58/982984758.db2.gz	NGPAIOXXHJHKCK-JYBIWHBTSA-N	1	0	364.449	1.825	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)CC2)CCO1	ZINC000332062689	982987177	/nfs/dbraw/zinc/98/71/77/982987177.db2.gz	QFILJWGEIZWDLD-VQIMIIECSA-N	1	0	366.465	1.952	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCN(Cc3ccc(Cl)nc3)CC1)C2	ZINC000884223596	982997321	/nfs/dbraw/zinc/99/73/21/982997321.db2.gz	UHPKYCCHDYOYIR-WUJZJPHMSA-N	1	0	373.888	1.519	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C	ZINC000884231446	983005807	/nfs/dbraw/zinc/00/58/07/983005807.db2.gz	RAWGGEHOIJISCP-LSDHHAIUSA-N	1	0	353.850	1.506	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCN(c3c(F)cccc3F)C1)C2	ZINC000884232424	983006531	/nfs/dbraw/zinc/00/65/31/983006531.db2.gz	QOSROMXSKHWUFL-UWCWSIQASA-N	1	0	360.408	1.799	20	30		FDEDRO
N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cc2cccc(C(F)(F)F)c2[nH]c1=O	ZINC000884250589	983027014	/nfs/dbraw/zinc/02/70/14/983027014.db2.gz	JABOBUNAGQPZHM-SKDRFNHKSA-N	1	0	350.300	1.801	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1	ZINC000780043649	1014912591	/nfs/dbraw/zinc/91/25/91/1014912591.db2.gz	IGXIORZSGZWBTP-ZDUSSCGKSA-N	1	0	356.426	1.659	20	30		FDEDRO
COc1ccc(N2C[C@H](NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CC2=O)cc1	ZINC000884402206	983139416	/nfs/dbraw/zinc/13/94/16/983139416.db2.gz	MZQARIDTRFQAEM-LNWMTBOKSA-N	1	0	368.437	1.056	20	30		FDEDRO
COC(=O)[C@@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[C@@H]2CCCC[C@@H]12	ZINC000884405342	983141036	/nfs/dbraw/zinc/14/10/36/983141036.db2.gz	NRQFGVCNEKPOHP-JNKKFVPUSA-N	1	0	359.470	1.706	20	30		FDEDRO
Cc1cccc([C@@H]2C(=O)NCCN2C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c1	ZINC000884416396	983145428	/nfs/dbraw/zinc/14/54/28/983145428.db2.gz	AFQXNJHFLPNZLE-ZEVUXNIQSA-N	1	0	352.438	1.134	20	30		FDEDRO
C#CCNC(=O)CC[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Br)cc1	ZINC000860047950	983196470	/nfs/dbraw/zinc/19/64/70/983196470.db2.gz	LVQMRAOWHJKQBE-GDBMZVCRSA-N	1	0	351.244	1.696	20	30		FDEDRO
CCC(C#N)(CC)C(=O)OCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1	ZINC000860196014	983281314	/nfs/dbraw/zinc/28/13/14/983281314.db2.gz	JHRYOKZWMOVTBQ-HNNXBMFYSA-N	1	0	353.463	1.333	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])cc1	ZINC000653234853	1014968721	/nfs/dbraw/zinc/96/87/21/1014968721.db2.gz	RWRYGCWWJAEVLF-WMLDXEAASA-N	1	0	365.499	1.740	20	30		FDEDRO
CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1C#N	ZINC000861523902	983762110	/nfs/dbraw/zinc/76/21/10/983762110.db2.gz	NAECKKRIYXLQAC-SMDDNHRTSA-N	1	0	373.413	1.322	20	30		FDEDRO
N#Cc1ccc(C2(C(=O)NC[C@H]3C[N@@H+]4CCN3CCC4)CCCC2)cc1	ZINC000861550825	983776276	/nfs/dbraw/zinc/77/62/76/983776276.db2.gz	WULAGPBXKMOVGX-IBGZPJMESA-N	1	0	352.482	1.876	20	30		FDEDRO
CCCCCCCCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1	ZINC000861615086	983792784	/nfs/dbraw/zinc/79/27/84/983792784.db2.gz	DLQPALQQILYBCK-UHFFFAOYSA-N	1	0	353.511	1.699	20	30		FDEDRO
C#Cc1ccc(CNC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1	ZINC000861635081	983797961	/nfs/dbraw/zinc/79/79/61/983797961.db2.gz	DZUZVWALAKUYHK-MSOLQXFVSA-N	1	0	368.437	1.135	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)C(C)(C)c3ccc(C#N)cc3)CC2)C1=O	ZINC000861698256	983833469	/nfs/dbraw/zinc/83/34/69/983833469.db2.gz	MCEBGRDCJGDTSW-GOSISDBHSA-N	1	0	368.481	1.647	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1	ZINC000861733289	983880557	/nfs/dbraw/zinc/88/05/57/983880557.db2.gz	UUHSOOZIHJZOLS-LSDHHAIUSA-N	1	0	367.371	1.270	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[C@H]2CNc3ccccc32)CC1	ZINC000884642178	984648971	/nfs/dbraw/zinc/64/89/71/984648971.db2.gz	CHVFUPKXBNPYPO-INIZCTEOSA-N	1	0	370.497	1.859	20	30		FDEDRO
CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(CCC#N)cc1	ZINC000885050875	985141865	/nfs/dbraw/zinc/14/18/65/985141865.db2.gz	MRICUJROQCOHFC-INIZCTEOSA-N	1	0	353.488	1.778	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2	ZINC000885096684	985172659	/nfs/dbraw/zinc/17/26/59/985172659.db2.gz	MTXXXNAAVKOIBK-OAHLLOKOSA-N	1	0	351.491	1.370	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1	ZINC000885096628	985172754	/nfs/dbraw/zinc/17/27/54/985172754.db2.gz	KVRPQNVDASXQSO-IAGOWNOFSA-N	1	0	365.518	1.840	20	30		FDEDRO
C=CCCC[C@H](NC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)c1ccccc1	ZINC000885218552	985250366	/nfs/dbraw/zinc/25/03/66/985250366.db2.gz	XRMHVCBEBKSRRZ-RYQLBKOJSA-N	1	0	359.470	1.775	20	30		FDEDRO
C#CCN(CC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)C(=O)OC(C)(C)C	ZINC000885890882	985761275	/nfs/dbraw/zinc/76/12/75/985761275.db2.gz	LAJQYMNNJJWPMD-INIZCTEOSA-N	1	0	365.474	1.226	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH+]2CCN(Cc3cn4ccccc4n3)CC2)CCC1	ZINC000885942563	985792238	/nfs/dbraw/zinc/79/22/38/985792238.db2.gz	PNEREAKGZOYURR-GOSISDBHSA-N	1	0	353.470	1.897	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H](O)CC2(C#N)CCC2)CCN1C[C@H](O)CC1(C#N)CCC1	ZINC000886048991	985848815	/nfs/dbraw/zinc/84/88/15/985848815.db2.gz	CPQXUXOOKKFUMI-GUDVDZBRSA-N	1	0	374.529	1.882	20	30		FDEDRO
CCC1([NH+]2CCCC2)CCN(C(=O)CCNC(=O)C2N=CC=CC2=O)CC1	ZINC000870269992	985855666	/nfs/dbraw/zinc/85/56/66/985855666.db2.gz	OFBFHOUDGRSWNJ-VHEBQXMUSA-N	1	0	374.485	1.770	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1	ZINC000870386951	985961616	/nfs/dbraw/zinc/96/16/16/985961616.db2.gz	MHQUXMDCFCTHLF-CALCHBBNSA-N	1	0	361.486	1.942	20	30		FDEDRO
Cn1cc(-c2cc3c(nn2)CC[N@H+](C[C@@H](O)CC2(C#N)CCC2)C3)cn1	ZINC000886293716	986041628	/nfs/dbraw/zinc/04/16/28/986041628.db2.gz	NCHUSKOPALNBDE-INIZCTEOSA-N	1	0	352.442	1.680	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CCC[C@@H](C(=O)N[C@@H]3CCC[C@@H](O)C3)C2)CCC1	ZINC000886313966	986057675	/nfs/dbraw/zinc/05/76/75/986057675.db2.gz	IKEVJDCZQLWAIL-TVFCKZIOSA-N	1	0	363.502	1.563	20	30		FDEDRO
C#CC[C@H]1CC[N@@H+]([C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)C1	ZINC000886353862	986091345	/nfs/dbraw/zinc/09/13/45/986091345.db2.gz	RIMMPDRTKGRSIT-RYUDHWBXSA-N	1	0	367.371	1.892	20	30		FDEDRO
C#CC[C@@H]1CC[N@@H+](C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1	ZINC000886363835	986103646	/nfs/dbraw/zinc/10/36/46/986103646.db2.gz	FHMBYNHRLQEJDY-QUCCMNQESA-N	1	0	357.498	1.523	20	30		FDEDRO
C#CCN(C(=O)CNC(=O)c1c(F)cccc1Cl)C1CC[NH+](C)CC1	ZINC000886579037	986379417	/nfs/dbraw/zinc/37/94/17/986379417.db2.gz	VIKIBVCWGYPRPF-UHFFFAOYSA-N	1	0	365.836	1.765	20	30		FDEDRO
C#CCN(C(=O)C(=O)c1cnn(-c2ccccc2)c1)C1CC[NH+](C)CC1	ZINC000886581050	986383202	/nfs/dbraw/zinc/38/32/02/986383202.db2.gz	IKLHOKKBAYFSQZ-UHFFFAOYSA-N	1	0	350.422	1.611	20	30		FDEDRO
C#CCN(C(=O)CCN1c2ccccc2O[C@@H](C)C1=O)C1CC[NH+](C)CC1	ZINC000886585227	986389760	/nfs/dbraw/zinc/38/97/60/986389760.db2.gz	NDYWMFNRKODDBO-INIZCTEOSA-N	1	0	369.465	1.747	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1	ZINC000870981079	986558866	/nfs/dbraw/zinc/55/88/66/986558866.db2.gz	CXPBXQIJCQALGT-ZWKOTPCHSA-N	1	0	356.445	1.982	20	30		FDEDRO
CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C1(C)C	ZINC000870981906	986559424	/nfs/dbraw/zinc/55/94/24/986559424.db2.gz	STJJRDOVSUYBOI-FXAWDEMLSA-N	1	0	374.460	1.878	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1	ZINC000870982130	986559902	/nfs/dbraw/zinc/55/99/02/986559902.db2.gz	XNMHHUYPOROWQZ-ZDUSSCGKSA-N	1	0	368.416	1.460	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC2OCCCO2)C3)c1	ZINC001095353156	986617112	/nfs/dbraw/zinc/61/71/12/986617112.db2.gz	HIWGMJPRKVLVHL-SQNIBIBYSA-N	1	0	355.438	1.933	20	30		FDEDRO
C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]2[C@H](CC[N@H+]2C)C1	ZINC000871054131	986621973	/nfs/dbraw/zinc/62/19/73/986621973.db2.gz	OCNNDIAFPBJTOR-HUUCEWRRSA-N	1	0	367.457	1.642	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)c1	ZINC000886896735	986702712	/nfs/dbraw/zinc/70/27/12/986702712.db2.gz	SEGKZFZUSOENCQ-CYBMUJFWSA-N	1	0	373.425	1.126	20	30		FDEDRO
COC(=O)CCN(CC#N)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1	ZINC000871340806	986910033	/nfs/dbraw/zinc/91/00/33/986910033.db2.gz	GUPITKBCJZLBLF-MRXNPFEDSA-N	1	0	361.417	1.953	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000872448686	987667987	/nfs/dbraw/zinc/66/79/87/987667987.db2.gz	IBISDFYEGLSAPZ-KRWDZBQOSA-N	1	0	363.483	1.788	20	30		FDEDRO
C#CCNC(=O)CC[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1	ZINC000292877425	987921177	/nfs/dbraw/zinc/92/11/77/987921177.db2.gz	SZCUHKGXUXPSNH-QGZVFWFLSA-N	1	0	356.470	1.968	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)c1	ZINC000872661961	987927227	/nfs/dbraw/zinc/92/72/27/987927227.db2.gz	AYNVBGRPPXKCSR-IRXDYDNUSA-N	1	0	363.483	1.460	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(CN3C(=O)N[C@@](C)(c4cccc(C#N)c4)C3=O)CC[C@H]21	ZINC000872725022	988011003	/nfs/dbraw/zinc/01/10/03/988011003.db2.gz	BFRWOHWHURYJAE-MDYRTPRTSA-N	1	0	367.453	1.309	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc2oc(C3CC3)nc2c1	ZINC000293310170	988029549	/nfs/dbraw/zinc/02/95/49/988029549.db2.gz	HZRMLIFIFWKUMJ-UHFFFAOYSA-N	1	0	354.410	1.715	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(Cc2ccc(C(N)=O)cc2F)C2CC2)CC1	ZINC000293594705	988125979	/nfs/dbraw/zinc/12/59/79/988125979.db2.gz	AIBYWKNAKOKGJG-UHFFFAOYSA-N	1	0	357.429	1.761	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1	ZINC000360926486	988212173	/nfs/dbraw/zinc/21/21/73/988212173.db2.gz	JVJLHNSPGNQNAJ-YESZJQIVSA-N	1	0	355.438	1.888	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1	ZINC000361013865	988247976	/nfs/dbraw/zinc/24/79/76/988247976.db2.gz	WKSIDVOVLPCHJR-QGZVFWFLSA-N	1	0	372.469	1.184	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCc3ncnc(N(C)C)c3C2)CC1	ZINC000365939363	988249537	/nfs/dbraw/zinc/24/95/37/988249537.db2.gz	ZEAJXTUYZKNHSS-UHFFFAOYSA-N	1	0	358.490	1.651	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(C)=O	ZINC000293960794	988270058	/nfs/dbraw/zinc/27/00/58/988270058.db2.gz	KXGLYKCLRWFBQF-LJQANCHMSA-N	1	0	354.454	1.286	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)[C@]2(C#N)CC23CCCC3)CC1	ZINC000294680119	988528282	/nfs/dbraw/zinc/52/82/82/988528282.db2.gz	JTEFDHAOPNUBDQ-HXUWFJFHSA-N	1	0	353.470	1.924	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000294691429	988528895	/nfs/dbraw/zinc/52/88/95/988528895.db2.gz	SKTFHRRFLXIIPJ-YJBOKZPZSA-N	1	0	357.454	1.038	20	30		FDEDRO
N#Cc1ccc(Cl)c(NC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1	ZINC000873108522	988573859	/nfs/dbraw/zinc/57/38/59/988573859.db2.gz	YWZITAYCBVJPMG-UWVGGRQHSA-N	1	0	374.750	1.746	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@H+](C)[C@@H]1CC(=O)N(Cc2ccccc2)C1=O	ZINC000362489819	988679313	/nfs/dbraw/zinc/67/93/13/988679313.db2.gz	XAECTFHAFQPQKL-MRXNPFEDSA-N	1	0	356.426	1.008	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cn1	ZINC000367388618	988948154	/nfs/dbraw/zinc/94/81/54/988948154.db2.gz	QGQIBVZQYVQHLP-FQEVSTJZSA-N	1	0	363.465	1.993	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1C#N	ZINC000873663261	988954337	/nfs/dbraw/zinc/95/43/37/988954337.db2.gz	GKGFWKINHJLADM-ZIAGYGMSSA-N	1	0	358.442	1.884	20	30		FDEDRO
C=CCN(CC(=O)N[C@@H](C)C(=O)N(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000363185063	988977336	/nfs/dbraw/zinc/97/73/36/988977336.db2.gz	OPMRJKGHQJBDFQ-HKUYNNGSSA-N	1	0	372.513	1.342	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)CN1CCC(C)(C[NH+]2CCN(C)CC2)CC1	ZINC000368332622	988989338	/nfs/dbraw/zinc/98/93/38/988989338.db2.gz	OORYCKKIODZZPY-HXUWFJFHSA-N	1	0	363.550	1.390	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(=O)N2CC=C(c3ccccc3)CC2)CC1	ZINC000368826164	989011062	/nfs/dbraw/zinc/01/10/62/989011062.db2.gz	ZDKNVCZRTUDGIT-UHFFFAOYSA-N	1	0	365.477	1.764	20	30		FDEDRO
CN(C(=O)c1cccc(CC#N)c1)C1CC[NH+](CC(=O)N2CCCC2)CC1	ZINC000369071454	989023451	/nfs/dbraw/zinc/02/34/51/989023451.db2.gz	GDCGXNZHOMDUOL-UHFFFAOYSA-N	1	0	368.481	1.911	20	30		FDEDRO
CN1CC[NH+](C2(CNC(=O)N3CCO[C@H](C#N)C3)CCCCCC2)CC1	ZINC000369085508	989025396	/nfs/dbraw/zinc/02/53/96/989025396.db2.gz	UFJZEZLVYVCATH-QGZVFWFLSA-N	1	0	363.506	1.261	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1C#N	ZINC000873726688	989071912	/nfs/dbraw/zinc/07/19/12/989071912.db2.gz	CYKLFPIEUIBCLB-AWEZNQCLSA-N	1	0	356.426	1.450	20	30		FDEDRO
COC(=O)CN1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1	ZINC000363331633	989099481	/nfs/dbraw/zinc/09/94/81/989099481.db2.gz	OYBQQXHDHLVXFT-KRWDZBQOSA-N	1	0	372.469	1.502	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000363402501	989167169	/nfs/dbraw/zinc/16/71/69/989167169.db2.gz	MICJQAIDTBBSEZ-MSOLQXFVSA-N	1	0	359.470	1.992	20	30		FDEDRO
Cn1cc(C[C@@H]2CC[N@@H+]([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C2)cn1	ZINC000363586042	989324726	/nfs/dbraw/zinc/32/47/26/989324726.db2.gz	KSOWRVIVNVNJCY-YJBOKZPZSA-N	1	0	363.421	1.488	20	30		FDEDRO
CCC[NH+]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1	ZINC000369992309	989365456	/nfs/dbraw/zinc/36/54/56/989365456.db2.gz	BFGXLTLYJHIEKZ-UHFFFAOYSA-N	1	0	356.405	2.443	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000363663396	989377872	/nfs/dbraw/zinc/37/78/72/989377872.db2.gz	SGNUZARUVSLXDA-GJZGRUSLSA-N	1	0	358.442	1.188	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccccc1OCCF	ZINC000296930145	989450990	/nfs/dbraw/zinc/45/09/90/989450990.db2.gz	MVDIVYYHEXCROF-UHFFFAOYSA-N	1	0	364.421	1.667	20	30		FDEDRO
COc1cc(C#N)ccc1OCCN1CCC[C@H]1C[N@@H+]1CCC[C@H]1CO	ZINC000364056669	989484346	/nfs/dbraw/zinc/48/43/46/989484346.db2.gz	PJYACEHMGSHXKM-ROUUACIJSA-N	1	0	359.470	1.867	20	30		FDEDRO
C[C@@H](C#N)CN(C)C(=O)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000297787107	989690855	/nfs/dbraw/zinc/69/08/55/989690855.db2.gz	QSGNLTCTEGJXJS-WMZOPIPTSA-N	1	0	356.470	1.585	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCN(C(=O)c3ccncc3)C2)CC1	ZINC000370521924	989807245	/nfs/dbraw/zinc/80/72/45/989807245.db2.gz	JEIVFQYTGSFZJG-GOSISDBHSA-N	1	0	371.485	1.636	20	30		FDEDRO
COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1	ZINC000298270194	990002405	/nfs/dbraw/zinc/00/24/05/990002405.db2.gz	NRBHTWQXYNKNFA-QRVBRYPASA-N	1	0	358.438	1.882	20	30		FDEDRO
CN(C(=O)Cc1ccc(OCC#N)cc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000370820107	990014283	/nfs/dbraw/zinc/01/42/83/990014283.db2.gz	NQIFLYLBTUZLNE-LJQANCHMSA-N	1	0	370.497	1.758	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)N(Cc1ccncc1)C[C@H]1CCC[N@H+]1CC	ZINC000298291837	990017724	/nfs/dbraw/zinc/01/77/24/990017724.db2.gz	IBRSHQFRVBFXHC-GOSISDBHSA-N	1	0	358.486	1.929	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCN(c3ccccc3C(N)=O)C2)CC1	ZINC000370875993	990077234	/nfs/dbraw/zinc/07/72/34/990077234.db2.gz	JPGHFLODFKZNMB-QGZVFWFLSA-N	1	0	368.481	1.216	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)[NH+](C)C	ZINC000298583535	990176276	/nfs/dbraw/zinc/17/62/76/990176276.db2.gz	FMITYLZIVRLPRJ-ZDUSSCGKSA-N	1	0	367.409	1.750	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000874365026	990180433	/nfs/dbraw/zinc/18/04/33/990180433.db2.gz	CICLTVWYWHLYHM-CABCVRRESA-N	1	0	357.458	1.748	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C	ZINC000874365734	990183990	/nfs/dbraw/zinc/18/39/90/990183990.db2.gz	DEISHZQUNKAURR-JKSUJKDBSA-N	1	0	359.401	1.471	20	30		FDEDRO
C=CCOCCCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC[NH+](C)C	ZINC000298708242	990235222	/nfs/dbraw/zinc/23/52/22/990235222.db2.gz	ZKMIRTIVUBEDJO-LJQANCHMSA-N	1	0	373.497	1.601	20	30		FDEDRO
CC[N@H+](CCNC(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O)C1CC1	ZINC000371102255	990250264	/nfs/dbraw/zinc/25/02/64/990250264.db2.gz	VXBVDKHNFSGVCH-XOBRGWDASA-N	1	0	367.453	1.526	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1	ZINC000371119953	990262517	/nfs/dbraw/zinc/26/25/17/990262517.db2.gz	SMROWJXGERLIBQ-GOSISDBHSA-N	1	0	367.449	1.118	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C[C@H](O)COc1ccc(C#N)cc1	ZINC000371295541	990343851	/nfs/dbraw/zinc/34/38/51/990343851.db2.gz	SHBNRVXUKNEYJE-BWPNAZKDSA-N	1	0	359.470	1.481	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@](C)(CO)Cc2ccc(OC)c(OC)c2)CC1	ZINC000874741013	990508115	/nfs/dbraw/zinc/50/81/15/990508115.db2.gz	CMDYXSVPQBIJTF-NRFANRHFSA-N	1	0	374.481	1.459	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC2(C[C@@H]2C(=O)N(C)C2CC2)CC1	ZINC000371541474	990512219	/nfs/dbraw/zinc/51/22/19/990512219.db2.gz	BNEUCLNEFKSDIA-DZGCQCFKSA-N	1	0	362.474	1.110	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCN(CCN3CCOCC3)C2)cc1	ZINC000371664021	990608396	/nfs/dbraw/zinc/60/83/96/990608396.db2.gz	OLVGCFSISHLNCB-MJGOQNOKSA-N	1	0	358.486	1.474	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2	ZINC000964593656	1015577644	/nfs/dbraw/zinc/57/76/44/1015577644.db2.gz	MQJMUIUFJGRLCW-ZACQAIPSSA-N	1	0	361.486	1.171	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1	ZINC000875113056	990914100	/nfs/dbraw/zinc/91/41/00/990914100.db2.gz	FJCUICJYIDTIMM-MDZRGWNJSA-N	1	0	351.491	1.158	20	30		FDEDRO
C[C@H](CC[NH+](C)C)NC(=O)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000372208095	990960708	/nfs/dbraw/zinc/96/07/08/990960708.db2.gz	AWEFXSJETNMFMC-PJIJBLCYSA-N	1	0	355.442	1.382	20	30		FDEDRO
C[NH+](C)C1(C)CCC(NC(=O)C(=O)NCc2ccc(C#N)cc2F)CC1	ZINC000875165272	990989610	/nfs/dbraw/zinc/98/96/10/990989610.db2.gz	OMJHWYHTPOGIDE-UHFFFAOYSA-N	1	0	360.433	1.693	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCc2nccn2C1	ZINC000372272370	990990033	/nfs/dbraw/zinc/99/00/33/990990033.db2.gz	GZHUSPLYAPMWNT-SFHVURJKSA-N	1	0	351.454	1.908	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1	ZINC000372289033	990997246	/nfs/dbraw/zinc/99/72/46/990997246.db2.gz	WJQKKGXAXQYOIF-MOPGFXCFSA-N	1	0	368.481	1.603	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2c2cncc(C)c2)CC1	ZINC000875182029	991020752	/nfs/dbraw/zinc/02/07/52/991020752.db2.gz	BZOOXEGVEZRKJA-SFHVURJKSA-N	1	0	356.470	1.820	20	30		FDEDRO
COCC[N@H+](C)CCNC(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1	ZINC000875215355	991098032	/nfs/dbraw/zinc/09/80/32/991098032.db2.gz	IWQYRXBXGBEJAH-UHFFFAOYSA-N	1	0	356.430	1.503	20	30		FDEDRO
Cc1oc(NC(=O)[C@@H](C)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c(C#N)c1C	ZINC000372607790	991265485	/nfs/dbraw/zinc/26/54/85/991265485.db2.gz	WAYWOIPSULRQGI-WBVHZDCISA-N	1	0	373.501	1.807	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1	ZINC000372621467	991275276	/nfs/dbraw/zinc/27/52/76/991275276.db2.gz	VHWGRZRFSBLXOI-GJZGRUSLSA-N	1	0	359.401	1.519	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)C1	ZINC000875308348	991294861	/nfs/dbraw/zinc/29/48/61/991294861.db2.gz	HNAGJWHFXWMJRJ-QGZVFWFLSA-N	1	0	368.441	1.645	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1	ZINC000875603963	991792842	/nfs/dbraw/zinc/79/28/42/991792842.db2.gz	HGAMCEJEIBKFLQ-MJGOQNOKSA-N	1	0	371.481	1.264	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1	ZINC000875604325	991792909	/nfs/dbraw/zinc/79/29/09/991792909.db2.gz	LPLYMNOOZMJKBW-SFHVURJKSA-N	1	0	363.502	1.256	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1	ZINC000875606471	991796722	/nfs/dbraw/zinc/79/67/22/991796722.db2.gz	VLGAHFCVKXBUFM-MSOLQXFVSA-N	1	0	363.502	1.256	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)N1CCC(C[N@@H+](C)CCCC)CC1	ZINC000875606591	991796955	/nfs/dbraw/zinc/79/69/55/991796955.db2.gz	BWQUNRZAJLALCQ-KRWDZBQOSA-N	1	0	351.491	1.111	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1	ZINC000875607984	991798732	/nfs/dbraw/zinc/79/87/32/991798732.db2.gz	REGFQSSFWRLMGT-GOSISDBHSA-N	1	0	363.502	1.256	20	30		FDEDRO
C#Cc1ccc(CNC(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)cc1	ZINC000875630447	991832501	/nfs/dbraw/zinc/83/25/01/991832501.db2.gz	NXUCGNJKRGPYOS-HXUWFJFHSA-N	1	0	357.454	1.083	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH+]1CCC(c2c[nH]c3ccc(C(N)=O)cc32)CC1	ZINC000373125126	991939199	/nfs/dbraw/zinc/93/91/99/991939199.db2.gz	MBTOAYAOWVIPEU-ZDUSSCGKSA-N	1	0	352.438	1.584	20	30		FDEDRO
C#C[C@H](NC(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2)C1CCOCC1	ZINC000875748450	991969103	/nfs/dbraw/zinc/96/91/03/991969103.db2.gz	NHMVLYLOLJJZLN-IBGZPJMESA-N	1	0	353.466	1.942	20	30		FDEDRO
C[C@@H]1CN(CC(=O)Nc2cccc(C#N)c2)CCN1C1CC[NH+](C)CC1	ZINC000373178740	991980742	/nfs/dbraw/zinc/98/07/42/991980742.db2.gz	VWHHKKCKBQUSDA-MRXNPFEDSA-N	1	0	355.486	1.597	20	30		FDEDRO
C[C@H]1CN(CC(=O)Nc2cccc(C#N)c2)CCN1C1CC[NH+](C)CC1	ZINC000373178736	991981004	/nfs/dbraw/zinc/98/10/04/991981004.db2.gz	VWHHKKCKBQUSDA-INIZCTEOSA-N	1	0	355.486	1.597	20	30		FDEDRO
C[NH+](C)C1CCN(CCNC(=O)[C@]2(C#N)CCc3ccccc3C2)CC1	ZINC000373190618	991991550	/nfs/dbraw/zinc/99/15/50/991991550.db2.gz	LMWGDKLIUVGJBA-OAQYLSRUSA-N	1	0	354.498	1.827	20	30		FDEDRO
C=CCC[C@@H](O)CN1CC[N@@H+](C[C@@H](O)CCC=C)C[C@@H]1c1cnn(C)c1	ZINC000373272311	992085193	/nfs/dbraw/zinc/08/51/93/992085193.db2.gz	FFMQKGPYYHERMR-XUVXKRRUSA-N	1	0	362.518	1.733	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)[C@@H]2C1	ZINC000373301132	992146270	/nfs/dbraw/zinc/14/62/70/992146270.db2.gz	FOPJXWMMLRYSNB-WMLDXEAASA-N	1	0	368.416	2.441	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)CC2)CC[N@@H+]1C	ZINC000964847097	1015688771	/nfs/dbraw/zinc/68/87/71/1015688771.db2.gz	YZUJAXOSDIYHPZ-RYQLBKOJSA-N	1	0	371.485	1.728	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1	ZINC000875913755	992186326	/nfs/dbraw/zinc/18/63/26/992186326.db2.gz	HGAPJNTZPWLLQP-RTBURBONSA-N	1	0	359.470	1.481	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000875917763	992190031	/nfs/dbraw/zinc/19/00/31/992190031.db2.gz	FWJLNNUSDAPTNK-XUVXKRRUSA-N	1	0	373.497	1.597	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1	ZINC000875926634	992199454	/nfs/dbraw/zinc/19/94/54/992199454.db2.gz	HVBOMDZZTYYOMX-QGZVFWFLSA-N	1	0	350.507	1.226	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CC[NH+]([C@@H]3CCC[C@@H]3O)CC1)C2	ZINC000876283549	992522843	/nfs/dbraw/zinc/52/28/43/992522843.db2.gz	BQBDWTIDCGKZLD-QRVBRYPASA-N	1	0	354.454	1.266	20	30		FDEDRO
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1	ZINC000876283821	992522895	/nfs/dbraw/zinc/52/28/95/992522895.db2.gz	FXSJNLOSKATZLF-LJQANCHMSA-N	1	0	369.513	1.693	20	30		FDEDRO
N#CCCn1cc(C[N@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)c(-c2ccccc2)n1	ZINC000373970365	992536503	/nfs/dbraw/zinc/53/65/03/992536503.db2.gz	UKOBKXDPSMVIFD-QZTJIDSGSA-N	1	0	365.437	1.553	20	30		FDEDRO
CC[NH2+][C@@H](C)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1	ZINC000876605083	992735774	/nfs/dbraw/zinc/73/57/74/992735774.db2.gz	QOVHSWNXMUTPOV-IBPDABBASA-N	1	0	352.460	1.436	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2	ZINC000876675771	992787567	/nfs/dbraw/zinc/78/75/67/992787567.db2.gz	OEBMNTLODGELNW-RYUDHWBXSA-N	1	0	361.225	1.731	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](CO)Cc1cc(OC)cc(OC)c1	ZINC000876697432	992806602	/nfs/dbraw/zinc/80/66/02/992806602.db2.gz	DMXPNIJJJIDYEN-XJKSGUPXSA-N	1	0	356.850	1.441	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(Cc2cc(F)ccc2OC)CC1	ZINC000876711070	992817287	/nfs/dbraw/zinc/81/72/87/992817287.db2.gz	RGFIGXWDKLRALE-HNNXBMFYSA-N	1	0	355.841	1.948	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1	ZINC000876720901	992833153	/nfs/dbraw/zinc/83/31/53/992833153.db2.gz	KCAMGUQPJCEKCH-VNHYZAJKSA-N	1	0	352.866	1.781	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1	ZINC000876724140	992837398	/nfs/dbraw/zinc/83/73/98/992837398.db2.gz	OLAZBDPFDUEKJC-GJZGRUSLSA-N	1	0	356.898	1.002	20	30		FDEDRO
Cc1cnc(N2CCN(C(=O)[C@@H]3[NH2+]CCc4cc(C#N)ccc43)CC2)s1	ZINC000876770645	992893917	/nfs/dbraw/zinc/89/39/17/992893917.db2.gz	OQOMQAPXVMAECX-QGZVFWFLSA-N	1	0	367.478	1.859	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000876772277	992895104	/nfs/dbraw/zinc/89/51/04/992895104.db2.gz	KSIPARONRYGTFP-PVAVHDDUSA-N	1	0	351.878	1.862	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1	ZINC000876779889	992904970	/nfs/dbraw/zinc/90/49/70/992904970.db2.gz	DAJGBUITHIZWLG-CHWSQXEVSA-N	1	0	371.869	1.281	20	30		FDEDRO
Cc1nnc([C@H]2CCCN(C(=O)[C@@H]3[NH2+]CCc4cc(C#N)ccc43)C2)[nH]1	ZINC000876779877	992905079	/nfs/dbraw/zinc/90/50/79/992905079.db2.gz	CXCOVMWPFGWFNN-DOTOQJQBSA-N	1	0	350.426	1.578	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@]2(C)CCC[NH2+]C2)s1	ZINC000876798998	992918531	/nfs/dbraw/zinc/91/85/31/992918531.db2.gz	VEJVWTWLKOASSV-MRXNPFEDSA-N	1	0	371.528	1.261	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@H]2CC[NH3+])s1	ZINC000876849341	992936723	/nfs/dbraw/zinc/93/67/23/992936723.db2.gz	YLYJOAJABOSXKN-ZDUSSCGKSA-N	1	0	371.528	1.485	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCc2c(cccc2C(N)=O)C1	ZINC000876978004	992993718	/nfs/dbraw/zinc/99/37/18/992993718.db2.gz	IWHSEYTYWYIDPX-LJQANCHMSA-N	1	0	360.417	1.429	20	30		FDEDRO
CNC(=O)CO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(OCC#N)cc1)C2	ZINC001137116517	993081398	/nfs/dbraw/zinc/08/13/98/993081398.db2.gz	HKSGXQKUEDRYCU-ICSRJNTNSA-N	1	0	373.453	1.475	20	30		FDEDRO
N#CCOc1ccc(CN2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)cc1	ZINC001137116708	993083496	/nfs/dbraw/zinc/08/34/96/993083496.db2.gz	NXDSALDZPKWXAP-IEBWSBKVSA-N	1	0	365.437	1.716	20	30		FDEDRO
COCC1(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)CC[NH2+]CC1	ZINC000877216357	993112801	/nfs/dbraw/zinc/11/28/01/993112801.db2.gz	SULFXUUFSOMEKM-UHFFFAOYSA-N	1	0	353.426	1.758	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(N2CCN(C(C)=O)CC2)cc1	ZINC000877291528	993186444	/nfs/dbraw/zinc/18/64/44/993186444.db2.gz	XZLBPKBWRLRUJA-INIZCTEOSA-N	1	0	350.850	1.764	20	30		FDEDRO
Cc1ccc(S(=O)(=O)C2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)cc1	ZINC000877293079	993187727	/nfs/dbraw/zinc/18/77/27/993187727.db2.gz	HZXRLYWYIAANKM-UHFFFAOYSA-N	1	0	374.506	1.763	20	30		FDEDRO
Cn1cncc1[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cccc(SCC#N)c1	ZINC000375519359	993209976	/nfs/dbraw/zinc/20/99/76/993209976.db2.gz	OSGGREWRPXTNOU-RHSMWYFYSA-N	1	0	369.450	1.785	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)cc1	ZINC000375518137	993209998	/nfs/dbraw/zinc/20/99/98/993209998.db2.gz	FRGMXGJTWYOUIC-XWIAVFTESA-N	1	0	353.426	1.412	20	30		FDEDRO
C=CCOc1ccc(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)cc1OC	ZINC000375531857	993217390	/nfs/dbraw/zinc/21/73/90/993217390.db2.gz	GRVHHCJHHIKZDS-SJORKVTESA-N	1	0	370.453	1.694	20	30		FDEDRO
C=CCn1c(-c2nnn(C)c2C)nnc1N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1	ZINC000651512032	1015781192	/nfs/dbraw/zinc/78/11/92/1015781192.db2.gz	UUGUEZJHYPGRTO-OFQRWUPVSA-N	1	0	370.505	1.735	20	30		FDEDRO
C=CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000651512824	1015782528	/nfs/dbraw/zinc/78/25/28/1015782528.db2.gz	DANSWLQUPXTNDH-HZPDHXFCSA-N	1	0	374.489	1.058	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1	ZINC001095559907	993475503	/nfs/dbraw/zinc/47/55/03/993475503.db2.gz	CHXBXFPOXVJXGG-QFHLCROWSA-N	1	0	355.438	1.584	20	30		FDEDRO
CN1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)C1=O	ZINC001095589415	993674476	/nfs/dbraw/zinc/67/44/76/993674476.db2.gz	YRRATFDMMNERRL-RDGPPVDQSA-N	1	0	366.465	1.648	20	30		FDEDRO
C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)CCNC(=O)C1	ZINC001095610869	993780518	/nfs/dbraw/zinc/78/05/18/993780518.db2.gz	ZKUHZLVZMPDEPP-OEMYIYORSA-N	1	0	366.465	1.696	20	30		FDEDRO
CCN1CCOC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1	ZINC001095655570	993896356	/nfs/dbraw/zinc/89/63/56/993896356.db2.gz	KUDBWLIKPFNODR-FUMNGEBKSA-N	1	0	368.481	1.500	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)Cc2ccccc2N2CCCC2=O)CC1	ZINC000878926204	994354928	/nfs/dbraw/zinc/35/49/28/994354928.db2.gz	GCJQNKNBTZVXGN-UHFFFAOYSA-N	1	0	353.466	1.960	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C2CC3(CC(NC(=O)[C@H]4OCC[C@H]4C)C3)C2)C1=O	ZINC000965140443	1015856378	/nfs/dbraw/zinc/85/63/78/1015856378.db2.gz	CEJIEFZADMYACW-SNCNAIARSA-N	1	0	361.486	1.215	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCCOC	ZINC001110892396	994589828	/nfs/dbraw/zinc/58/98/28/994589828.db2.gz	XMLSFQANOYIUBP-TWMKSMIVSA-N	1	0	354.491	1.334	20	30		FDEDRO
CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)CCc2cccc(C#N)c2)C1	ZINC000879434810	994911264	/nfs/dbraw/zinc/91/12/64/994911264.db2.gz	NPTUAFLGKDMWJQ-GOSISDBHSA-N	1	0	357.454	1.834	20	30		FDEDRO
COc1ccc([C@@H]2CN(C[C@H](O)COc3ccc(C#N)cc3)CC[NH2+]2)cc1	ZINC000879519192	994972791	/nfs/dbraw/zinc/97/27/91/994972791.db2.gz	OOVWMRARJYOERJ-RXVVDRJESA-N	1	0	367.449	1.953	20	30		FDEDRO
COc1ccc([C@@H]2CN(C[C@H](O)COc3ccccc3C#N)CC[NH2+]2)cc1	ZINC000879523100	994975720	/nfs/dbraw/zinc/97/57/20/994975720.db2.gz	TXWJYQFLOOSUNH-ICSRJNTNSA-N	1	0	367.449	1.953	20	30		FDEDRO
COc1ccc([C@@H]2CN(C[C@@H](O)COc3ccccc3C#N)CC[NH2+]2)cc1	ZINC000879523101	994976048	/nfs/dbraw/zinc/97/60/48/994976048.db2.gz	TXWJYQFLOOSUNH-QUCCMNQESA-N	1	0	367.449	1.953	20	30		FDEDRO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)cc1	ZINC000879532470	994984893	/nfs/dbraw/zinc/98/48/93/994984893.db2.gz	YPBRCAKEYSBWJE-BHYGNILZSA-N	1	0	368.437	1.177	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccnn1C	ZINC000879685452	995172901	/nfs/dbraw/zinc/17/29/01/995172901.db2.gz	HGLDSPSFGXKIKJ-GDBMZVCRSA-N	1	0	372.498	1.541	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1=O	ZINC000925351541	995524368	/nfs/dbraw/zinc/52/43/68/995524368.db2.gz	KWDIMMPFRPBGBI-JQHSSLGASA-N	1	0	357.454	1.878	20	30		FDEDRO
C#CCN(C(=O)NC[C@@H]1CC[N@H+]1C)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000925432035	995593721	/nfs/dbraw/zinc/59/37/21/995593721.db2.gz	LBWXYKVWMLVNQR-INIZCTEOSA-N	1	0	364.490	1.735	20	30		FDEDRO
C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000925495486	995628256	/nfs/dbraw/zinc/62/82/56/995628256.db2.gz	OMDDIHVBFWFDMM-HLAUDOPJSA-N	1	0	369.425	1.035	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)CN1CCC[C@H]([NH2+]C2CCOCC2)C1	ZINC000880201579	995719765	/nfs/dbraw/zinc/71/97/65/995719765.db2.gz	OZNVCKVOKUKWRQ-RBUKOAKNSA-N	1	0	359.470	1.531	20	30		FDEDRO
CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)COc3ccccc3C#N)C2)[C@@H]1C(C)C	ZINC000926261625	996005882	/nfs/dbraw/zinc/00/58/82/996005882.db2.gz	DOCVMVKSSCFDCY-SGLNWRHMSA-N	1	0	371.481	1.923	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2ccc(C)c(C#N)c2)CC1	ZINC000926857695	996345265	/nfs/dbraw/zinc/34/52/65/996345265.db2.gz	GXPCTTYLSCODPB-UHFFFAOYSA-N	1	0	371.485	1.562	20	30		FDEDRO
N#Cc1ccc2c(c1)[C@H]([NH2+]CC(=O)NCC(=O)NCc1ccccc1)CC2	ZINC000926962893	996374023	/nfs/dbraw/zinc/37/40/23/996374023.db2.gz	CFJJHXNGUOMBEA-LJQANCHMSA-N	1	0	362.433	1.568	20	30		FDEDRO
C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC(=O)N(C)[C@@H]3c3cccnc3)C2)C1	ZINC000965400009	1016041117	/nfs/dbraw/zinc/04/11/17/1016041117.db2.gz	ZLVHUZNMCMLDKU-BMZTVKAZSA-N	1	0	366.465	1.251	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1	ZINC000965435277	1016070220	/nfs/dbraw/zinc/07/02/20/1016070220.db2.gz	BZGIRGAECHSFEE-HZPDHXFCSA-N	1	0	363.502	1.369	20	30		FDEDRO
CCN(C(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[C@H]1CC[NH2+]C1	ZINC000887066833	996900222	/nfs/dbraw/zinc/90/02/22/996900222.db2.gz	UQWZDEISGFOASN-INIZCTEOSA-N	1	0	370.453	1.138	20	30		FDEDRO
C#CCC1([NH2+]C[C@@H](O)COc2cccc(C(=O)OCC)c2)CCOCC1	ZINC000887125865	996955172	/nfs/dbraw/zinc/95/51/72/996955172.db2.gz	MUSHVWJLHDUSRS-QGZVFWFLSA-N	1	0	361.438	1.765	20	30		FDEDRO
C#CCOc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1	ZINC000796482588	1016110891	/nfs/dbraw/zinc/11/08/91/1016110891.db2.gz	NSUKBHIDJLHPJS-SJLPKXTDSA-N	1	0	350.484	1.896	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(CNC(=[NH2+])N3CCOCC3)cc2)C[C@H](C)O1	ZINC000264136345	997411507	/nfs/dbraw/zinc/41/15/07/997411507.db2.gz	ZTCABPOZLLIGDX-GASCZTMLSA-N	1	0	360.458	1.083	20	30		FDEDRO
N#CCOc1cccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1	ZINC000264439301	997511612	/nfs/dbraw/zinc/51/16/12/997511612.db2.gz	DIZMEIXDPDRDCB-INIZCTEOSA-N	1	0	356.426	1.614	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000264498148	997524991	/nfs/dbraw/zinc/52/49/91/997524991.db2.gz	FXQVQHXNUWZQQN-APWZRJJASA-N	1	0	373.497	1.981	20	30		FDEDRO
C[NH+](C)CCn1ncc(C(=O)N2CCO[C@@](C)(C#N)C2)c1-c1ccccc1	ZINC000887684904	997647752	/nfs/dbraw/zinc/64/77/52/997647752.db2.gz	RPNUXYLIRXATDZ-FQEVSTJZSA-N	1	0	367.453	1.866	20	30		FDEDRO
C[NH+](C)CCN1C[C@H](C(=O)N2CCC(c3ccc(C#N)cc3)CC2)CC1=O	ZINC000887704656	997668206	/nfs/dbraw/zinc/66/82/06/997668206.db2.gz	NUYILVLAZFSEIJ-LJQANCHMSA-N	1	0	368.481	1.674	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)N[C@H](CC(=O)N(C)C)c2ccccc2)C1	ZINC000887915924	997945152	/nfs/dbraw/zinc/94/51/52/997945152.db2.gz	DFDMVGZHZQBTIJ-ZWKOTPCHSA-N	1	0	356.470	1.603	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)Cc2cc(C#N)cs2)CC1=O	ZINC000887970523	997987310	/nfs/dbraw/zinc/98/73/10/997987310.db2.gz	CQHLKYCJYMSBLB-CVEARBPZSA-N	1	0	374.510	1.911	20	30		FDEDRO
N#CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ncc[nH]2)C3)cc1	ZINC001095393061	998087092	/nfs/dbraw/zinc/08/70/92/998087092.db2.gz	QXQHWEZUPGJPLX-PVAVHDDUSA-N	1	0	351.410	1.847	20	30		FDEDRO
N#Cc1ccc(C[C@H](C#N)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cc1	ZINC000889756597	998604405	/nfs/dbraw/zinc/60/44/05/998604405.db2.gz	PCMYDGORRUXORA-GUDVDZBRSA-N	1	0	352.438	1.298	20	30		FDEDRO
C[N@H+](CCCNC(=O)C(=O)Nc1cccc(CC#N)n1)Cc1ccccc1	ZINC000889778058	998649344	/nfs/dbraw/zinc/64/93/44/998649344.db2.gz	QFNPZQXYGJWTRD-UHFFFAOYSA-N	1	0	365.437	1.724	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O	ZINC000889817624	998688128	/nfs/dbraw/zinc/68/81/28/998688128.db2.gz	YJODKUOIOQBRLO-LBPRGKRZSA-N	1	0	367.247	1.331	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)n1	ZINC000889908525	998724612	/nfs/dbraw/zinc/72/46/12/998724612.db2.gz	MFOSWPLHECNZLI-INIZCTEOSA-N	1	0	355.442	1.563	20	30		FDEDRO
C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000889934109	998732431	/nfs/dbraw/zinc/73/24/31/998732431.db2.gz	LOLWDOLJAAPMCC-MAUKXSAKSA-N	1	0	356.470	1.990	20	30		FDEDRO
C[C@H](CC#N)NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000890144548	998841507	/nfs/dbraw/zinc/84/15/07/998841507.db2.gz	FMGOSCYPWQIXFN-RHSMWYFYSA-N	1	0	355.442	1.328	20	30		FDEDRO
CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000890149510	998844718	/nfs/dbraw/zinc/84/47/18/998844718.db2.gz	UFTFXIFPXITAHQ-CRAIPNDOSA-N	1	0	369.469	1.718	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)CC1	ZINC000890292475	998894795	/nfs/dbraw/zinc/89/47/95/998894795.db2.gz	LZUVJAJRGZFSLJ-ZACQAIPSSA-N	1	0	361.486	1.988	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)Cc2ccc(NC(=O)C(F)(F)F)cc2)CC1	ZINC000826693035	998929106	/nfs/dbraw/zinc/92/91/06/998929106.db2.gz	LUVKKBQDHVBEBT-UHFFFAOYSA-N	1	0	368.359	1.834	20	30		FDEDRO
CSc1ccc(CNC(=O)NCCN(C)CCC[NH+](C)C)cc1C#N	ZINC000890447854	998947192	/nfs/dbraw/zinc/94/71/92/998947192.db2.gz	MYAKRSXYFSFVAX-UHFFFAOYSA-N	1	0	363.531	1.963	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Cc2ccccc2CC#N)CC1	ZINC000777408896	999069821	/nfs/dbraw/zinc/06/98/21/999069821.db2.gz	MYBKBUSKMSMZMU-GOSISDBHSA-N	1	0	354.454	1.060	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccnn1C	ZINC001110863754	999072903	/nfs/dbraw/zinc/07/29/03/999072903.db2.gz	VKOYTJWDWIPGAM-FTEYMNFISA-N	1	0	360.502	1.913	20	30		FDEDRO
N#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3ncccc31)C2	ZINC001110871104	999087613	/nfs/dbraw/zinc/08/76/13/999087613.db2.gz	RVXIFLVBJRYGDM-XWIAVFTESA-N	1	0	363.421	1.210	20	30		FDEDRO
C[N@H+](CCCNC(=O)CCNC(=O)C1N=CC=CC1=O)C1CCCCC1	ZINC000266824616	999240602	/nfs/dbraw/zinc/24/06/02/999240602.db2.gz	LLZHFVWJVDMVOU-HNENSFHCSA-N	1	0	362.474	1.674	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1	ZINC000266967127	999279296	/nfs/dbraw/zinc/27/92/96/999279296.db2.gz	YLNWHEVSMZACNZ-CABCVRRESA-N	1	0	373.457	1.441	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cccc(OCC#N)c3)CC[C@@H]21	ZINC000269040241	999462804	/nfs/dbraw/zinc/46/28/04/999462804.db2.gz	WUOTZWYUOYFPPV-YOEHRIQHSA-N	1	0	356.426	1.470	20	30		FDEDRO
[NH2+]=C(NCCC1Cc2ccccc2C1)N1CCN(c2ncccn2)CC1	ZINC000270032253	999502626	/nfs/dbraw/zinc/50/26/26/999502626.db2.gz	DQZSUKKFRCRZQO-UHFFFAOYSA-N	1	0	350.470	1.718	20	30		FDEDRO
N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCC[N@@H+](C3CCCC3)CC1)CC2	ZINC000270133387	999516790	/nfs/dbraw/zinc/51/67/90/999516790.db2.gz	BTWPDLYNWOQXPX-UHFFFAOYSA-N	1	0	366.465	1.924	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)nn1CCC#N	ZINC000271029505	999651022	/nfs/dbraw/zinc/65/10/22/999651022.db2.gz	OLHSYTYMCVDOMO-UHFFFAOYSA-N	1	0	360.462	1.424	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C[N@@H+]1C1CC1	ZINC000271580479	999714167	/nfs/dbraw/zinc/71/41/67/999714167.db2.gz	BSODSLKYPXHMSD-AAEUAGOBSA-N	1	0	358.446	1.190	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1	ZINC000283859012	999762589	/nfs/dbraw/zinc/76/25/89/999762589.db2.gz	GZRMCVJPJLVWDV-UHFFFAOYSA-N	1	0	357.454	1.611	20	30		FDEDRO
COc1ccc([C@@H](C[NH+](C)C)NC(=O)C(=O)Nc2cccc(C#N)c2)cc1	ZINC000284324546	999807303	/nfs/dbraw/zinc/80/73/03/999807303.db2.gz	PZWHVGKVSPNPMB-GOSISDBHSA-N	1	0	366.421	1.924	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000284331290	999808786	/nfs/dbraw/zinc/80/87/86/999808786.db2.gz	OVZBITDUDMLVPB-RBUKOAKNSA-N	1	0	366.465	1.816	20	30		FDEDRO
C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N(C)Cc1ccc(C#N)cc1	ZINC000285088913	999901630	/nfs/dbraw/zinc/90/16/30/999901630.db2.gz	PKRLZODHEFNPSA-BRWVUGGUSA-N	1	0	370.497	1.999	20	30		FDEDRO
C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1[C@@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000285890193	999923229	/nfs/dbraw/zinc/92/32/29/999923229.db2.gz	JZJABLQHWXZJHO-ATZDWAIDSA-N	1	0	354.454	1.459	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000286069921	999936098	/nfs/dbraw/zinc/93/60/98/999936098.db2.gz	RVJYBEZTYLAQDI-QUCCMNQESA-N	1	0	354.498	1.016	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C[C@@H](C)O)c2ccccc2)CC1	ZINC000286419995	999944279	/nfs/dbraw/zinc/94/42/79/999944279.db2.gz	FSMHRQKGFOJWLW-AEFFLSMTSA-N	1	0	373.497	1.424	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)CCCOc2ccccc2)CC1	ZINC000286412466	999944294	/nfs/dbraw/zinc/94/42/94/999944294.db2.gz	FJHUTSQBJYUAAQ-UHFFFAOYSA-N	1	0	359.470	1.681	20	30		FDEDRO
C=CCC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1)c1ccccc1	ZINC000286629260	999945518	/nfs/dbraw/zinc/94/55/18/999945518.db2.gz	PUOPCNWAKBWQPN-MSOLQXFVSA-N	1	0	359.470	1.647	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1	ZINC000286635407	999945668	/nfs/dbraw/zinc/94/56/68/999945668.db2.gz	KQKSIFNWNXHHQC-UHFFFAOYSA-N	1	0	361.486	1.710	20	30		FDEDRO
CC1(C(=O)NCCn2cnc(C#N)n2)CC[NH+](Cc2ccccc2)CC1	ZINC000286769654	999950149	/nfs/dbraw/zinc/95/01/49/999950149.db2.gz	IBFCVEXOGNLYHM-UHFFFAOYSA-N	1	0	352.442	1.568	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2nc3cc(C)ccc3n2C)CC1	ZINC000286844802	999952747	/nfs/dbraw/zinc/95/27/47/999952747.db2.gz	YKRTUPQDHNAAHZ-UHFFFAOYSA-N	1	0	369.469	1.265	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)CC1	ZINC000286864184	999952974	/nfs/dbraw/zinc/95/29/74/999952974.db2.gz	ZUYXORJNGIETPC-QGZVFWFLSA-N	1	0	373.472	1.983	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1	ZINC000287304219	999956429	/nfs/dbraw/zinc/95/64/29/999956429.db2.gz	KPDIKRYWVPJUHQ-QZTJIDSGSA-N	1	0	371.481	1.810	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000287385817	999957179	/nfs/dbraw/zinc/95/71/79/999957179.db2.gz	BNUYNHRSMNMBGO-SFHVURJKSA-N	1	0	359.470	1.476	20	30		FDEDRO
C#CCNc1nc(N[C@@H]2CCOC[C@@H]2C)[nH+]c(N[C@@H]2CCOC[C@@H]2C)n1	ZINC000287641242	999958912	/nfs/dbraw/zinc/95/89/12/999958912.db2.gz	HRIKMBSEIQIETN-BYNSBNAKSA-N	1	0	360.462	1.591	20	30		FDEDRO
Cc1ccc([C@H](CNC(=O)NCCn2cnc(C#N)n2)[NH+]2CCCC2)o1	ZINC000287872583	999968363	/nfs/dbraw/zinc/96/83/63/999968363.db2.gz	QBYSLCZYHWDQDZ-AWEZNQCLSA-N	1	0	357.418	1.188	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1	ZINC000288140169	999990281	/nfs/dbraw/zinc/99/02/81/999990281.db2.gz	IZYQSHREVGSWRK-UHFFFAOYSA-N	1	0	359.470	1.294	20	30		FDEDRO
C=CCCCNC(=O)C(=O)N(Cc1ccncc1)C[C@H]1CCC[N@H+]1CC	ZINC000288516159	1000023469	/nfs/dbraw/zinc/02/34/69/1000023469.db2.gz	FYXRPFWATXOYJS-GOSISDBHSA-N	1	0	358.486	1.977	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000289054226	1000071581	/nfs/dbraw/zinc/07/15/81/1000071581.db2.gz	YAWHQLSXIYWLGJ-IBGZPJMESA-N	1	0	373.497	1.818	20	30		FDEDRO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C	ZINC000927816496	1001077293	/nfs/dbraw/zinc/07/72/93/1001077293.db2.gz	AVYJRWAWGCQHSB-RDBSUJKOSA-N	1	0	360.483	1.991	20	30		FDEDRO
CCOC(=O)N1CCC([C@H](C)[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)CC1	ZINC000777644695	1001089106	/nfs/dbraw/zinc/08/91/06/1001089106.db2.gz	OUFTWHBKXRFUNX-GUYCJALGSA-N	1	0	358.442	1.931	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1F	ZINC000927847280	1001111667	/nfs/dbraw/zinc/11/16/67/1001111667.db2.gz	UUCKTPWIVZPTLY-ZYHUDNBSSA-N	1	0	358.295	1.374	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cc1Cl	ZINC000927847903	1001112578	/nfs/dbraw/zinc/11/25/78/1001112578.db2.gz	OLCKXUSGGVJNNC-CMPLNLGQSA-N	1	0	374.750	1.888	20	30		FDEDRO
CC1(C)CN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C[C@H]1[NH3+]	ZINC000927851937	1001121839	/nfs/dbraw/zinc/12/18/39/1001121839.db2.gz	FHMYKMVJIYDHNR-GFCCVEGCSA-N	1	0	365.231	1.455	20	30		FDEDRO
CC1(C)CN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C[C@@H]1[NH3+]	ZINC000927851938	1001122149	/nfs/dbraw/zinc/12/21/49/1001122149.db2.gz	FHMYKMVJIYDHNR-LBPRGKRZSA-N	1	0	365.231	1.455	20	30		FDEDRO
C[NH2+]CCN(C(=O)C(=O)Nc1ccc(C#N)c(Br)c1)C(C)C	ZINC000927865633	1001146297	/nfs/dbraw/zinc/14/62/97/1001146297.db2.gz	WCIJIOKJHWLWGF-UHFFFAOYSA-N	1	0	367.247	1.716	20	30		FDEDRO
CC1([NH+]2CCCC2)CCC(NC(=O)CCNC(=O)C2N=CC=CC2=O)CC1	ZINC000928011803	1001288601	/nfs/dbraw/zinc/28/86/01/1001288601.db2.gz	HVQDGQJZVMGJNH-HNENSFHCSA-N	1	0	374.485	1.816	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC1CCC1)NC(C)=O)C2	ZINC001110943887	1001484313	/nfs/dbraw/zinc/48/43/13/1001484313.db2.gz	LWZOIVNFNINFAX-MKXGPGLRSA-N	1	0	363.502	1.605	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CCO[C@@H]2CNC(=O)OC(C)(C)C)CC1	ZINC000928649395	1001606983	/nfs/dbraw/zinc/60/69/83/1001606983.db2.gz	JPRZSYBWYMCPLH-JKSUJKDBSA-N	1	0	365.474	1.130	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cnc(NC(=O)OC(C)(C)C)cn2)CC1	ZINC000928654085	1001610677	/nfs/dbraw/zinc/61/06/77/1001610677.db2.gz	MUHLKNGFUQLTNA-UHFFFAOYSA-N	1	0	359.430	1.651	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cc(N3C[C@@H](C)O[C@@H](C)C3)ccn2)CC1	ZINC000928653049	1001610682	/nfs/dbraw/zinc/61/06/82/1001610682.db2.gz	WXGIJSPGTCBUTG-IYBDPMFKSA-N	1	0	356.470	1.523	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cc(Cl)c(-n3cnnn3)cc2OC)CC1	ZINC000928656757	1001612454	/nfs/dbraw/zinc/61/24/54/1001612454.db2.gz	COPGGXIXXFNQNJ-UHFFFAOYSA-N	1	0	374.832	1.152	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C[C@H](NC(C)=O)c2c(F)cccc2F)CC1	ZINC000928658333	1001613803	/nfs/dbraw/zinc/61/38/03/1001613803.db2.gz	QGFBUGUXHGAYLR-KRWDZBQOSA-N	1	0	363.408	1.746	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)N2CCCCC2=O)CC1	ZINC000928658693	1001613834	/nfs/dbraw/zinc/61/38/34/1001613834.db2.gz	YWCWKAFJJHGHFE-FQEVSTJZSA-N	1	0	353.466	1.954	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3cccc(SC)c3)C2)CC1	ZINC000928659274	1001614568	/nfs/dbraw/zinc/61/45/68/1001614568.db2.gz	JFSYNKCEXVAEEF-OAHLLOKOSA-N	1	0	371.506	1.975	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H](C)c1cccc(OC)c1)C1CC[NH+](C)CC1	ZINC000929322382	1001934185	/nfs/dbraw/zinc/93/41/85/1001934185.db2.gz	IYGNEINRVBKDPO-OAHLLOKOSA-N	1	0	357.454	1.428	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCN(S(C)(=O)=O)C1	ZINC001110967068	1001965134	/nfs/dbraw/zinc/96/51/34/1001965134.db2.gz	QUXFZBFQLNINBL-VQHPVUNQSA-N	1	0	369.531	1.346	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC000948421696	1002322140	/nfs/dbraw/zinc/32/21/40/1002322140.db2.gz	JCDGGPICGMYFKF-ZTFGCOKTSA-N	1	0	371.485	1.583	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)C1CC[NH+](C)CC1	ZINC000929800015	1002461662	/nfs/dbraw/zinc/46/16/62/1002461662.db2.gz	AGLVNMKTCSRFQY-UHFFFAOYSA-N	1	0	374.460	1.064	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1	ZINC000948579857	1002466811	/nfs/dbraw/zinc/46/68/11/1002466811.db2.gz	NSTXGWNPWFXUKX-RHSMWYFYSA-N	1	0	371.485	1.728	20	30		FDEDRO
C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#Cc1ccccc1	ZINC001111277318	1002471773	/nfs/dbraw/zinc/47/17/73/1002471773.db2.gz	LQDKFSIRWPXMDK-AQNXPRMDSA-N	1	0	355.482	1.338	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1	ZINC000948582348	1002473177	/nfs/dbraw/zinc/47/31/77/1002473177.db2.gz	YMWYHJLYQIINSA-FSPWUOQZSA-N	1	0	369.469	1.337	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1	ZINC000965982676	1016652531	/nfs/dbraw/zinc/65/25/31/1016652531.db2.gz	XGCLOZMVXMKRIN-AVEIZBFRSA-N	1	0	363.502	1.415	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1	ZINC000948775958	1002664598	/nfs/dbraw/zinc/66/45/98/1002664598.db2.gz	WAUWKFABRPZTNT-OKZBNKHCSA-N	1	0	361.486	1.103	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1ccc(OCCC)nc1)C1CC[NH+](C)CC1	ZINC000930003276	1002726230	/nfs/dbraw/zinc/72/62/30/1002726230.db2.gz	RKZXALPCYZTLJF-UHFFFAOYSA-N	1	0	372.469	1.043	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2cnn(CC3CCC3)c2)CC1	ZINC000930006159	1002728443	/nfs/dbraw/zinc/72/84/43/1002728443.db2.gz	CFCAISRSZSJQJV-HNNXBMFYSA-N	1	0	373.501	1.627	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCC2CCC(SC)CC2)CC1	ZINC000930007373	1002731257	/nfs/dbraw/zinc/73/12/57/1002731257.db2.gz	OROHDESXBQJWRQ-UHFFFAOYSA-N	1	0	353.532	1.791	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccc3cnn(CCOC)c3c2)CC1	ZINC000930027977	1002748832	/nfs/dbraw/zinc/74/88/32/1002748832.db2.gz	PVCKWSRUPLRDIF-UHFFFAOYSA-N	1	0	355.442	1.902	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)c1cccc(C#N)c1	ZINC000930213759	1002934566	/nfs/dbraw/zinc/93/45/66/1002934566.db2.gz	PSYJPPASKLXBJU-LBPRGKRZSA-N	1	0	370.375	1.688	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H]1Cc2ccc(Cl)cc2C1)C1CC[NH+](C)CC1	ZINC000930287669	1002999056	/nfs/dbraw/zinc/99/90/56/1002999056.db2.gz	WJMOQQKHQQHJHU-KRWDZBQOSA-N	1	0	373.884	1.479	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](O)Cn2cccn2)CCC1	ZINC001110987242	1003059368	/nfs/dbraw/zinc/05/93/68/1003059368.db2.gz	LEIDZKZDXANAEL-XDNAFOTISA-N	1	0	358.486	1.712	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2C(=O)CCC2=O)CCC1	ZINC001110987485	1003062123	/nfs/dbraw/zinc/06/21/23/1003062123.db2.gz	RQIFGYGXMGZZDM-OAGGEKHMSA-N	1	0	359.470	1.603	20	30		FDEDRO
CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CCO2	ZINC000949200005	1003087685	/nfs/dbraw/zinc/08/76/85/1003087685.db2.gz	CWUOLXYUTLMIIS-ZWKOTPCHSA-N	1	0	356.470	1.240	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNS(=O)(=O)CC	ZINC001110989763	1003095851	/nfs/dbraw/zinc/09/58/51/1003095851.db2.gz	VLCXDKTWJOHDCT-XLMAVXFVSA-N	1	0	371.547	1.640	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCOC2(CC[NH+](C[C@H](C)O)CC2)C1	ZINC000949207789	1003100015	/nfs/dbraw/zinc/10/00/15/1003100015.db2.gz	WSBILKUGFGBSJB-BZSNNMDCSA-N	1	0	366.502	1.432	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC1)C[N@H+](CCCO)CCO2	ZINC000949369746	1003266390	/nfs/dbraw/zinc/26/63/90/1003266390.db2.gz	BYKKBVMTFHGLLQ-SJORKVTESA-N	1	0	352.475	1.043	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)cc1	ZINC000930577328	1003286691	/nfs/dbraw/zinc/28/66/91/1003286691.db2.gz	RXXTXCGOYSZHBB-SFHVURJKSA-N	1	0	353.426	1.417	20	30		FDEDRO
C=CCC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)CC2)C1	ZINC000949474814	1003375451	/nfs/dbraw/zinc/37/54/51/1003375451.db2.gz	NXRSPYGOGCOALH-IAGOWNOFSA-N	1	0	358.486	1.793	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)C[N@H+](C[C@H](C)OC)CCO2	ZINC000949476967	1003378949	/nfs/dbraw/zinc/37/89/49/1003378949.db2.gz	MEXHILMPUWXCMK-BBWFWOEESA-N	1	0	352.475	1.306	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@H]2C)nc1	ZINC000949533040	1003450250	/nfs/dbraw/zinc/45/02/50/1003450250.db2.gz	ZLNLKBHCEPLHIO-IWKCEXAMSA-N	1	0	368.481	1.370	20	30		FDEDRO
Cc1cc(NC(=O)NCC#CC[NH+](C)C)ccc1-n1nnnc1C(C)C	ZINC000930799049	1003518627	/nfs/dbraw/zinc/51/86/27/1003518627.db2.gz	XTFLJQNUIFYNPQ-UHFFFAOYSA-N	1	0	355.446	1.781	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H](CC=C)Cc1ccccc1)C1CC[NH+](C)CC1	ZINC000930863036	1003601530	/nfs/dbraw/zinc/60/15/30/1003601530.db2.gz	UBTHDXUBSGUZOY-LJQANCHMSA-N	1	0	367.493	1.846	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000930956981	1003712361	/nfs/dbraw/zinc/71/23/61/1003712361.db2.gz	IEGSHCUEEYIBTJ-HZPDHXFCSA-N	1	0	360.483	1.711	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[C@H]3C(C)(C)C)C2)CC1	ZINC000949864991	1003758990	/nfs/dbraw/zinc/75/89/90/1003758990.db2.gz	PLWQHASQYYAQCO-NXWXRZEISA-N	1	0	373.541	1.977	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C[C@@H](O)CC(F)(F)F)c1	ZINC001111001779	1003783066	/nfs/dbraw/zinc/78/30/66/1003783066.db2.gz	JHBLEBJUBWCYGR-QXSJWSMHSA-N	1	0	367.371	1.711	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1	ZINC000931082265	1003859023	/nfs/dbraw/zinc/85/90/23/1003859023.db2.gz	PGBGPKWFJUDNDB-UKRRQHHQSA-N	1	0	364.471	1.930	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000931101078	1003886115	/nfs/dbraw/zinc/88/61/15/1003886115.db2.gz	AZOPVKBJEQSDOX-HZPDHXFCSA-N	1	0	351.491	1.153	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCc2nc[nH]c2C12CCOCC2	ZINC000931109038	1003897398	/nfs/dbraw/zinc/89/73/98/1003897398.db2.gz	IGUBQLJZUHHNEA-MRXNPFEDSA-N	1	0	368.437	1.585	20	30		FDEDRO
CCOC(=O)C(C)(C)c1csc(NC(=O)NCC#CC[NH+](C)C)n1	ZINC000931433822	1004156796	/nfs/dbraw/zinc/15/67/96/1004156796.db2.gz	IDNJIWWPCPANLG-UHFFFAOYSA-N	1	0	352.460	1.670	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1	ZINC000931593374	1004297018	/nfs/dbraw/zinc/29/70/18/1004297018.db2.gz	ZCIMTBXGVWWPMV-MRXNPFEDSA-N	1	0	358.417	1.400	20	30		FDEDRO
COC1(OC)CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1O	ZINC000931634169	1004341534	/nfs/dbraw/zinc/34/15/34/1004341534.db2.gz	BOLMVDLEHPKPDO-OAHLLOKOSA-N	1	0	367.833	1.596	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c(C#N)cn1CC	ZINC000931783046	1004490475	/nfs/dbraw/zinc/49/04/75/1004490475.db2.gz	RIDAFLJAQYOAKN-IFXJQAMLSA-N	1	0	373.457	1.972	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2	ZINC001111019617	1004573043	/nfs/dbraw/zinc/57/30/43/1004573043.db2.gz	GSAMQKYCJCPEBK-UHDSXZAQSA-N	1	0	351.491	1.711	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)Nc2cc(N(C)C)n3nc(C)cc3n2)C1	ZINC000931985054	1004671449	/nfs/dbraw/zinc/67/14/49/1004671449.db2.gz	ORKYQLDMGVGGLK-AWEZNQCLSA-N	1	0	355.446	1.323	20	30		FDEDRO
C[C@]1([C@H]2CCC[N@H+](C[C@H](O)COc3ccccc3C#N)C2)COC(=O)N1	ZINC000932022207	1004712647	/nfs/dbraw/zinc/71/26/47/1004712647.db2.gz	KCVAXEHDGSIPFS-TXPKVOOTSA-N	1	0	359.426	1.508	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1	ZINC000932090161	1004764483	/nfs/dbraw/zinc/76/44/83/1004764483.db2.gz	PNIBJYAJFWGDLW-UHFFFAOYSA-N	1	0	357.308	1.879	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=O)CCN2CCC[C@@H](C#N)C2)CC1	ZINC000932154783	1004797633	/nfs/dbraw/zinc/79/76/33/1004797633.db2.gz	MXSYSBGCPAALOI-HNNXBMFYSA-N	1	0	350.463	1.691	20	30		FDEDRO
COc1ncc(NC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1C#N	ZINC000932512898	1004995751	/nfs/dbraw/zinc/99/57/51/1004995751.db2.gz	AVQGLBPFYANQBD-WMLDXEAASA-N	1	0	372.473	1.452	20	30		FDEDRO
COc1ncc(NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)cc1C#N	ZINC000932514237	1004996328	/nfs/dbraw/zinc/99/63/28/1004996328.db2.gz	PQFBJUASVJYHAU-UHFFFAOYSA-N	1	0	372.473	1.642	20	30		FDEDRO
COc1ncc(NC(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc1C#N	ZINC000932519303	1004998536	/nfs/dbraw/zinc/99/85/36/1004998536.db2.gz	JGFYQDIKQVIJBM-OAHLLOKOSA-N	1	0	359.430	1.727	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CN(C)C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000966883302	1016943459	/nfs/dbraw/zinc/94/34/59/1016943459.db2.gz	LKOPCQLBSBASDL-RVKKMQEKSA-N	1	0	371.485	1.537	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1	ZINC000932854468	1005218083	/nfs/dbraw/zinc/21/80/83/1005218083.db2.gz	JKCLKEABRGGJHS-SFHVURJKSA-N	1	0	356.470	1.334	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCN(CC(F)(F)F)C2=O)CC1	ZINC000933355822	1005545496	/nfs/dbraw/zinc/54/54/96/1005545496.db2.gz	UGXHBLPGLZRYMO-CQSZACIVSA-N	1	0	359.392	1.391	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(CN3CCNC3=O)CC2)cc1	ZINC000933592047	1005585838	/nfs/dbraw/zinc/58/58/38/1005585838.db2.gz	BKFPKFBRTCHZSC-QGZVFWFLSA-N	1	0	358.442	1.035	20	30		FDEDRO
CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCC(c3ccc(C#N)cc3)CC2)C1	ZINC000933613567	1005589083	/nfs/dbraw/zinc/58/90/83/1005589083.db2.gz	ZVHIPJCQQGAQGH-HXUWFJFHSA-N	1	0	368.481	1.865	20	30		FDEDRO
CC[N@H+](CCC(=O)NC)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N	ZINC000933864555	1005649899	/nfs/dbraw/zinc/64/98/99/1005649899.db2.gz	ARDWLSDHPSRTBY-CQSZACIVSA-N	1	0	351.410	1.682	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@H+]2Cc3ncccc3N3CCC[C@H]3C2)CCOCC1	ZINC000934492488	1005751903	/nfs/dbraw/zinc/75/19/03/1005751903.db2.gz	NXSGHYBMMSJDBE-IRXDYDNUSA-N	1	0	356.470	1.937	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(CN=[S@](C)(=O)N(C)C)CC1	ZINC000934749259	1005791266	/nfs/dbraw/zinc/79/12/66/1005791266.db2.gz	CVHGWZCBXDXVOE-CPJLOUKISA-N	1	0	370.563	1.862	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)CC1	ZINC000934908788	1005815298	/nfs/dbraw/zinc/81/52/98/1005815298.db2.gz	NCMNCQCWANQVBL-UHFFFAOYSA-N	1	0	353.426	1.675	20	30		FDEDRO
C#Cc1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1	ZINC000934925204	1005817387	/nfs/dbraw/zinc/81/73/87/1005817387.db2.gz	HRALNZUPWQTUKZ-AYHJJNSGSA-N	1	0	354.454	1.873	20	30		FDEDRO
N#CC1(NC(=O)CCN2CCOCC2)CC[NH+](Cc2ccccc2)CC1	ZINC000778447032	1006291254	/nfs/dbraw/zinc/29/12/54/1006291254.db2.gz	MSESPOXOBMCSAD-UHFFFAOYSA-N	1	0	356.470	1.383	20	30		FDEDRO
CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN(C)Cc1cccc(C#N)c1	ZINC000795373416	1006389573	/nfs/dbraw/zinc/38/95/73/1006389573.db2.gz	MQRWMOVVNYFTNO-UHFFFAOYSA-N	1	0	370.375	1.469	20	30		FDEDRO
C=C[C@@H](CC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)c1ccccc1	ZINC000638480899	1006542777	/nfs/dbraw/zinc/54/27/77/1006542777.db2.gz	BYSKEGHMFUJBMU-KRWDZBQOSA-N	1	0	356.470	1.516	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1NC(=O)c3ccccc31)C2	ZINC001111170562	1006590301	/nfs/dbraw/zinc/59/03/01/1006590301.db2.gz	UUUXNDIFOHWYBE-AXUOBQJMSA-N	1	0	369.465	1.785	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)nc3c1cnn3C)C2	ZINC001111184885	1006718686	/nfs/dbraw/zinc/71/86/86/1006718686.db2.gz	JHSJKAVAGYWWKE-OLMNPRSZSA-N	1	0	369.469	1.814	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3sccc3[nH]1)C2	ZINC001111224505	1006958492	/nfs/dbraw/zinc/95/84/92/1006958492.db2.gz	MHKGMDGNNUZPAC-KYOSRNDESA-N	1	0	358.467	1.867	20	30		FDEDRO
NC(=O)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#Cc1ccc(F)cc1	ZINC001111258916	1007261978	/nfs/dbraw/zinc/26/19/78/1007261978.db2.gz	HWZITMLUXGIENO-QRVBRYPASA-N	1	0	371.456	1.944	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]nc1-c1cnn(C)c1)C2	ZINC001111264177	1007352561	/nfs/dbraw/zinc/35/25/61/1007352561.db2.gz	NVXYKQFGHOZEFO-OIISXLGYSA-N	1	0	370.457	1.348	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1	ZINC000955366411	1007392880	/nfs/dbraw/zinc/39/28/80/1007392880.db2.gz	RMPBFFYPGVFEBT-SQNIBIBYSA-N	1	0	363.502	1.510	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1	ZINC000957069540	1007646139	/nfs/dbraw/zinc/64/61/39/1007646139.db2.gz	ACAVLYUUAPSDQN-WIRSXHRWSA-N	1	0	373.497	1.006	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC000957093890	1007701908	/nfs/dbraw/zinc/70/19/08/1007701908.db2.gz	JPOZUFHMKVPIPE-MLGOLLRUSA-N	1	0	366.425	1.238	20	30		FDEDRO
C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1	ZINC000091282147	1007942406	/nfs/dbraw/zinc/94/24/06/1007942406.db2.gz	UHNJVOFJTUSMIF-CQSZACIVSA-N	1	0	357.458	1.431	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cn1	ZINC000957460982	1008311803	/nfs/dbraw/zinc/31/18/03/1008311803.db2.gz	UYOHLXHNLBYROX-ZWQIFLOQSA-N	1	0	368.481	1.370	20	30		FDEDRO
COC(=O)CCCCCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000305047657	1008609848	/nfs/dbraw/zinc/60/98/48/1008609848.db2.gz	YUAZOGPQKRQDPI-AWEZNQCLSA-N	1	0	368.478	1.600	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)c1	ZINC000646486028	1008823512	/nfs/dbraw/zinc/82/35/12/1008823512.db2.gz	ZVYIJWJDCSWDBS-CZUORRHYSA-N	1	0	351.472	1.316	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCN1C(=O)C(C)(C)[NH+]1CCCC1	ZINC000950218968	1008877405	/nfs/dbraw/zinc/87/74/05/1008877405.db2.gz	YTPJUMIHLSYJHL-IKGGRYGDSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)CC1CC[NH+](C)CC1	ZINC000950232808	1008916714	/nfs/dbraw/zinc/91/67/14/1008916714.db2.gz	KPHGNODTZGMPLP-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)nc1	ZINC000950254403	1008963214	/nfs/dbraw/zinc/96/32/14/1008963214.db2.gz	UUVTZQMJMSSFEE-SOLBZPMBSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccnc(N(C)C)c3)C[C@H]21	ZINC000959945349	1009177636	/nfs/dbraw/zinc/17/76/36/1009177636.db2.gz	KGBXYQSWBILAQF-JGLNRKDHSA-N	1	0	370.497	1.675	20	30		FDEDRO
N#Cc1cc(C(=O)N2CCC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)c[nH]1	ZINC000950517269	1009250618	/nfs/dbraw/zinc/25/06/18/1009250618.db2.gz	KSXMJNLRYSOMML-NWANDNLSSA-N	1	0	352.398	1.134	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CO[C@H](C)c1nccn1C)C2	ZINC001111329377	1009662727	/nfs/dbraw/zinc/66/27/27/1009662727.db2.gz	YNALTHBYNDZNQK-VQHPVUNQSA-N	1	0	362.474	1.422	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1	ZINC000647561030	1009715669	/nfs/dbraw/zinc/71/56/69/1009715669.db2.gz	ZJEFZNFYKKGPRD-UHFFFAOYSA-N	1	0	351.491	1.514	20	30		FDEDRO
CCOCCCNC(=[NH2+])NCCC(=O)N1CCN(c2ccccc2)CC1	ZINC000303978594	1009790338	/nfs/dbraw/zinc/79/03/38/1009790338.db2.gz	MLVNDZKPMRHFAB-UHFFFAOYSA-N	1	0	361.490	1.056	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@H]2C1	ZINC000960383412	1010081715	/nfs/dbraw/zinc/08/17/15/1010081715.db2.gz	GRXARFSKSRFJQE-YESZJQIVSA-N	1	0	363.502	1.510	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H](C)c3ccco3)C[C@H]2C)CC1	ZINC000959642420	1010285039	/nfs/dbraw/zinc/28/50/39/1010285039.db2.gz	KOLZIGZZVHHFPW-JFIYKMOQSA-N	1	0	371.481	1.691	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cccc(OC)c1)C2	ZINC001111343985	1010342129	/nfs/dbraw/zinc/34/21/29/1010342129.db2.gz	LKMKOXHPLAULQN-WLWJZTKJSA-N	1	0	369.465	1.097	20	30		FDEDRO
C=CCn1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)nn1	ZINC000648351377	1010450531	/nfs/dbraw/zinc/45/05/31/1010450531.db2.gz	UTJIPEPVRJUHPB-OALUTQOASA-N	1	0	374.533	1.873	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCc2cccc(OCC(N)=O)c2)cc1OC	ZINC000304752344	1010478102	/nfs/dbraw/zinc/47/81/02/1010478102.db2.gz	KCWZVGIASVXGEC-UHFFFAOYSA-N	1	0	372.425	1.172	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1	ZINC000951153356	1010520718	/nfs/dbraw/zinc/52/07/18/1010520718.db2.gz	IYEOOAMTKHZMJI-JQHSSLGASA-N	1	0	363.502	1.559	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(C#N)cc1	ZINC000960685136	1010599444	/nfs/dbraw/zinc/59/94/44/1010599444.db2.gz	QYISDVIGCUGBKB-SNRMKQJTSA-N	1	0	357.454	1.785	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C(C3CC3)C3CC3)C[C@H]2C)CC1	ZINC000959696370	1010637396	/nfs/dbraw/zinc/63/73/96/1010637396.db2.gz	KWFJYCJGRUXKBZ-DNVCBOLYSA-N	1	0	371.525	1.731	20	30		FDEDRO
C=CCN(CC=C)C(=O)CONC(=[NH2+])[C@H]1CN(Cc2ccccc2)CCO1	ZINC000779648044	1010643774	/nfs/dbraw/zinc/64/37/74/1010643774.db2.gz	KRAJCNIZIHLLGF-GOSISDBHSA-N	1	0	372.469	1.586	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=O)NCCCC[NH+]2CCOCC2)c1	ZINC000080089979	1010818636	/nfs/dbraw/zinc/81/86/36/1010818636.db2.gz	YMWWXLUJEKHNEE-UHFFFAOYSA-N	1	0	358.442	1.018	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1NC(=O)NC1=O)C2	ZINC001111374589	1010852737	/nfs/dbraw/zinc/85/27/37/1010852737.db2.gz	TUTKJIWNVOKBSS-FPCVCCKLSA-N	1	0	362.474	1.443	20	30		FDEDRO
C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1	ZINC000951745582	1011051492	/nfs/dbraw/zinc/05/14/92/1011051492.db2.gz	COIUZWPREQZHSJ-MSOLQXFVSA-N	1	0	363.502	1.655	20	30		FDEDRO
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3OCC#N)nc2)CC1	ZINC000194166817	1011138835	/nfs/dbraw/zinc/13/88/35/1011138835.db2.gz	JRCNPIZFSFIYNS-UHFFFAOYSA-N	1	0	351.410	1.988	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)C1CC[NH+](C(C)C)CC1	ZINC000952175307	1011373659	/nfs/dbraw/zinc/37/36/59/1011373659.db2.gz	DEGJLHNAFGVROZ-KURKYZTESA-N	1	0	363.502	1.415	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@H]2C1	ZINC000960812603	1011447918	/nfs/dbraw/zinc/44/79/18/1011447918.db2.gz	SIYNONXXFUZSEL-LUKYLMHMSA-N	1	0	363.502	1.367	20	30		FDEDRO
Cc1nn[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OCC#N)cc1	ZINC001095856295	1011882829	/nfs/dbraw/zinc/88/28/29/1011882829.db2.gz	QYHZCMDBQCSOCH-PVAVHDDUSA-N	1	0	366.425	1.551	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CCC([NH2+]Cc2ncnn2C)CC1	ZINC000963337585	1012164259	/nfs/dbraw/zinc/16/42/59/1012164259.db2.gz	BDSQSMXOISNZDO-BACDZXNISA-N	1	0	361.490	1.656	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3n[nH]c(C)c3c1)C2	ZINC001111408080	1012196122	/nfs/dbraw/zinc/19/61/22/1012196122.db2.gz	HVPYVAQTIXERNI-OIISXLGYSA-N	1	0	355.442	1.804	20	30		FDEDRO
C[NH+](C)CCN1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1=O	ZINC000649687384	1012280342	/nfs/dbraw/zinc/28/03/42/1012280342.db2.gz	OJGHIYSVEREGLF-UHFFFAOYSA-N	1	0	353.388	1.763	20	30		FDEDRO
CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)CC2)C1	ZINC000961406203	1012340231	/nfs/dbraw/zinc/34/02/31/1012340231.db2.gz	PVVXBMFNMLJZDE-QRVBRYPASA-N	1	0	359.514	1.685	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1ccccc1N1CCCCC1	ZINC000305824366	1012776955	/nfs/dbraw/zinc/77/69/55/1012776955.db2.gz	RXXHUPZBIZMNFM-UHFFFAOYSA-N	1	0	359.518	1.674	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(=O)[nH]c(C4CC4)n3)C[C@H]21	ZINC000961814984	1012880000	/nfs/dbraw/zinc/88/00/00/1012880000.db2.gz	MFDIKSVMTSMUPU-LFRCEIEQSA-N	1	0	370.453	1.197	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)CC[N@@H+]1C	ZINC000953977121	1013008220	/nfs/dbraw/zinc/00/82/20/1013008220.db2.gz	LKPUQAIRNPAVCR-CXAGYDPISA-N	1	0	357.458	1.290	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1	ZINC000963973681	1013035720	/nfs/dbraw/zinc/03/57/20/1013035720.db2.gz	ZKAVZEFYPHGGCH-ZKXLYKBJSA-N	1	0	363.502	1.320	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCCC[N@@H+](C)CC(C)C)c1	ZINC000652522170	1017336361	/nfs/dbraw/zinc/33/63/61/1017336361.db2.gz	XKSGMICDFRPXRB-UHFFFAOYSA-N	1	0	367.515	1.859	20	30		FDEDRO
C#CCOc1cccc(Cl)c1C[NH2+]C1CCC2(CC1)NC(=O)NC2=O	ZINC000796516389	1017484373	/nfs/dbraw/zinc/48/43/73/1017484373.db2.gz	SJYAUXYXTXOWGB-UHFFFAOYSA-N	1	0	361.829	1.962	20	30		FDEDRO
N#CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@]2(F)CCOC2)C3)cc1	ZINC001095916823	1017589114	/nfs/dbraw/zinc/58/91/14/1017589114.db2.gz	LJJNHRNTROMVBF-HGKSCXNLSA-N	1	0	373.428	1.939	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H](N(C)C(=O)c3ccc(C#N)[nH]3)CC2)CC[N@@H+]1C	ZINC000967529692	1017592515	/nfs/dbraw/zinc/59/25/15/1017592515.db2.gz	ZFNXZOFLENSPNE-HYVNUMGLSA-N	1	0	371.485	1.680	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(C)C(=O)c3cc(C#N)c[nH]3)CC2)CC[N@@H+]1C	ZINC000967531704	1017593508	/nfs/dbraw/zinc/59/35/08/1017593508.db2.gz	PWMIHJMIXKTNKZ-DJIMGWMZSA-N	1	0	371.485	1.680	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1	ZINC000192981441	178141331	/nfs/dbraw/zinc/14/13/31/178141331.db2.gz	VBJXIBXVIXDRHS-INIZCTEOSA-N	1	0	356.451	1.754	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2ccnc(C#N)c2)cc1	ZINC000193177232	178151156	/nfs/dbraw/zinc/15/11/56/178151156.db2.gz	KNMFPJHEZIPGKX-UHFFFAOYSA-N	1	0	351.410	1.175	20	30		FDEDRO
CC1(CNS(=O)(=O)c2cc(Br)cc(C#N)c2)CC[NH2+]CC1	ZINC000193372128	178159704	/nfs/dbraw/zinc/15/97/04/178159704.db2.gz	KGHQBGWOEZXVFZ-UHFFFAOYSA-N	1	0	372.288	1.989	20	30		FDEDRO
N#Cc1ccc(N2CC[NH+](C3CC3)CC2)nc1N1CCN(C2CC2)CC1	ZINC000195213371	178249108	/nfs/dbraw/zinc/24/91/08/178249108.db2.gz	VUNYSSXSDWUTOK-UHFFFAOYSA-N	1	0	352.486	1.522	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2CCC)cc1	ZINC000508993243	538939825	/nfs/dbraw/zinc/93/98/25/538939825.db2.gz	DZOANRMMLZGMLQ-KRWDZBQOSA-N	1	0	372.469	1.532	20	30		FDEDRO
C=CCn1c(CNC(=O)c2ccco2)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1	ZINC000508888423	538938276	/nfs/dbraw/zinc/93/82/76/538938276.db2.gz	NPPMCCLMFFTRIJ-OAHLLOKOSA-N	1	0	372.473	1.764	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C	ZINC000245516372	178363610	/nfs/dbraw/zinc/36/36/10/178363610.db2.gz	FYCYOVCSSWQKIW-GJYPPUQNSA-N	1	0	356.470	1.441	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@@H](CN4CCOCC4)C3)C2=O)cc1	ZINC000245537680	178364585	/nfs/dbraw/zinc/36/45/85/178364585.db2.gz	YKQSIHFXBMGJIN-AZUAARDMSA-N	1	0	368.481	1.708	20	30		FDEDRO
Cc1nc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)ccc1C#N	ZINC000245601248	178369636	/nfs/dbraw/zinc/36/96/36/178369636.db2.gz	VRQPFRNYNMHIMO-ICSRJNTNSA-N	1	0	364.449	1.875	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CNC(=O)c2cc(-c3ccccc3)on2)CC1	ZINC000517581578	539372571	/nfs/dbraw/zinc/37/25/71/539372571.db2.gz	SQXNLJXHRVZMGY-UHFFFAOYSA-N	1	0	367.409	1.176	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2c2ncc[nH]2)c1	ZINC000116297770	210171113	/nfs/dbraw/zinc/17/11/13/210171113.db2.gz	OPWNJBGQPPWQDV-MRXNPFEDSA-N	1	0	372.450	1.689	20	30		FDEDRO
N#Cc1ccc(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)cc1	ZINC000519123484	539467835	/nfs/dbraw/zinc/46/78/35/539467835.db2.gz	IEANTJMUPAQOMO-UHFFFAOYSA-N	1	0	364.453	1.680	20	30		FDEDRO
N#Cc1cc(Oc2ccc(NC(=O)NCCN3CC[NH2+]CC3)cc2)ccn1	ZINC000521984189	539524410	/nfs/dbraw/zinc/52/44/10/539524410.db2.gz	DDNJQAJVTAOIEQ-UHFFFAOYSA-N	1	0	366.425	1.772	20	30		FDEDRO
C=CCCCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F	ZINC000522030742	539534632	/nfs/dbraw/zinc/53/46/32/539534632.db2.gz	PTPIEFHJNJUIDT-UHFFFAOYSA-N	1	0	353.413	1.937	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)COc2ccc(N3CCCC3=O)cc2)CC1	ZINC000524686367	539657009	/nfs/dbraw/zinc/65/70/09/539657009.db2.gz	PVCOMPGJVXFHMS-UHFFFAOYSA-N	1	0	356.426	1.296	20	30		FDEDRO
CC(C)N(CCC#N)C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1	ZINC000527104609	539698164	/nfs/dbraw/zinc/69/81/64/539698164.db2.gz	AWRXELKDEKWEQV-UHFFFAOYSA-N	1	0	371.485	1.523	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C	ZINC000268191209	180020554	/nfs/dbraw/zinc/02/05/54/180020554.db2.gz	PQVBQLDJQQQJQX-BLLLJJGKSA-N	1	0	356.426	1.494	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@](CO)(c2ccccc2)C1	ZINC000528510014	539764013	/nfs/dbraw/zinc/76/40/13/539764013.db2.gz	OXJFEDNPDNBYNJ-CTNGQTDRSA-N	1	0	352.434	1.934	20	30		FDEDRO
C[C@@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ccc(C#N)cc1	ZINC000268926926	180181283	/nfs/dbraw/zinc/18/12/83/180181283.db2.gz	YINYNDSSEMMJEA-QAPCUYQASA-N	1	0	369.469	1.567	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CCN1c1nccn2cnnc12	ZINC000269401554	180294832	/nfs/dbraw/zinc/29/48/32/180294832.db2.gz	ZBBGSIGXYJIYRW-RHSMWYFYSA-N	1	0	363.425	1.240	20	30		FDEDRO
N#Cc1cc(F)ccc1S(=O)(=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000269659543	180353375	/nfs/dbraw/zinc/35/33/75/180353375.db2.gz	KWBJCXSQHVMJEA-UHFFFAOYSA-N	1	0	367.446	1.621	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCN(c2ccccc2F)C1=O	ZINC000530232070	539915245	/nfs/dbraw/zinc/91/52/45/539915245.db2.gz	WPMQDYANOJAUQO-RDJZCZTQSA-N	1	0	369.396	1.832	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)cc1OC	ZINC000268113542	674084441	/nfs/dbraw/zinc/08/44/41/674084441.db2.gz	ZXRMLZJPNGQHDY-AAEUAGOBSA-N	1	0	370.475	1.148	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c1	ZINC000268274876	674086589	/nfs/dbraw/zinc/08/65/89/674086589.db2.gz	VWRVCZQEEDIUOT-DYVFJYSZSA-N	1	0	363.483	1.363	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@H]1[NH+]1CCCC1	ZINC000274783475	181165564	/nfs/dbraw/zinc/16/55/64/181165564.db2.gz	KRKIDPPFUVFCAS-HZPDHXFCSA-N	1	0	369.487	1.898	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)n(CCC#N)n1	ZINC000532600262	540175827	/nfs/dbraw/zinc/17/58/27/540175827.db2.gz	BXCOSSGDFQWIGD-UKRRQHHQSA-N	1	0	360.462	1.280	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)n(CCC#N)n1	ZINC000532600852	540176375	/nfs/dbraw/zinc/17/63/75/540176375.db2.gz	QEUZRFNKAPQKQO-UHFFFAOYSA-N	1	0	372.473	1.378	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)n(CCC#N)n1	ZINC000533320241	540231553	/nfs/dbraw/zinc/23/15/53/540231553.db2.gz	SDMOZOAELKSDMZ-IIAWOOMASA-N	1	0	374.489	1.526	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)n(CCC#N)n1	ZINC000533455832	540250102	/nfs/dbraw/zinc/25/01/02/540250102.db2.gz	JBRVAXXEASSEKA-HIFRSBDPSA-N	1	0	360.462	1.280	20	30		FDEDRO
Cc1nn(CC(F)(F)F)c(C)c1CC(=O)NC1(C#N)CC[NH+](C)CC1	ZINC000536548599	540614553	/nfs/dbraw/zinc/61/45/53/540614553.db2.gz	NJPYKWWQKCAADS-UHFFFAOYSA-N	1	0	357.380	1.709	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H]2Cc2ccccc2)CC1	ZINC000540350019	541049025	/nfs/dbraw/zinc/04/90/25/541049025.db2.gz	HGDGWZJIUWMESD-PMACEKPBSA-N	1	0	354.498	1.996	20	30		FDEDRO
C=CC[C@@H](CO)C[NH2+][C@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000540396121	541054165	/nfs/dbraw/zinc/05/41/65/541054165.db2.gz	BABWGOUZGKWGSZ-HZPDHXFCSA-N	1	0	368.499	1.543	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2	ZINC000540456555	541062071	/nfs/dbraw/zinc/06/20/71/541062071.db2.gz	MWSLDVFDHVXUDA-FZMZJTMJSA-N	1	0	360.414	1.459	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000934265864	781944837	/nfs/dbraw/zinc/94/48/37/781944837.db2.gz	XLMPTBGRHFIWDD-YZGWKJHDSA-N	1	0	370.497	1.853	20	30		FDEDRO
N#CCC1CC[NH+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC1	ZINC000541022808	541137550	/nfs/dbraw/zinc/13/75/50/541137550.db2.gz	GGLTZEONZLKBCJ-UHFFFAOYSA-N	1	0	360.483	1.658	20	30		FDEDRO
CN1CC[NH+](CCCCNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1	ZINC000542802743	541474018	/nfs/dbraw/zinc/47/40/18/541474018.db2.gz	JPFVIVAOJBPFSC-LJQANCHMSA-N	1	0	366.506	1.392	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)CC1	ZINC000543180409	541544848	/nfs/dbraw/zinc/54/48/48/541544848.db2.gz	SFODRWOCTWRRMD-MWDXBVQZSA-N	1	0	374.510	1.160	20	30		FDEDRO
C[N@H+](CC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCSC1	ZINC000543743889	541650682	/nfs/dbraw/zinc/65/06/82/541650682.db2.gz	NESPAKDRSTUDCA-SJORKVTESA-N	1	0	372.494	1.607	20	30		FDEDRO
CC(C)[NH+](CCCNC(=O)N(C)CCCc1[nH]nc(N)c1C#N)C(C)C	ZINC000543758447	541655307	/nfs/dbraw/zinc/65/53/07/541655307.db2.gz	JDRWVJWVTPEGOE-UHFFFAOYSA-N	1	0	363.510	1.946	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)n(CCC#N)n1	ZINC000544228283	541736716	/nfs/dbraw/zinc/73/67/16/541736716.db2.gz	TZSGUORFPYZLQY-HNNXBMFYSA-N	1	0	360.462	1.424	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNS(=O)(=O)CC2(C#N)CCCC2)CC1	ZINC000544719836	541816739	/nfs/dbraw/zinc/81/67/39/541816739.db2.gz	COIFWGNONTYVSN-UHFFFAOYSA-N	1	0	357.520	1.879	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)NC3CC[NH+](CC4CC4)CC3)CC2)n1	ZINC000544841504	541840975	/nfs/dbraw/zinc/84/09/75/541840975.db2.gz	PLKUZZZLBKDKHF-UHFFFAOYSA-N	1	0	368.485	1.659	20	30		FDEDRO
COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2C[C@@H](O)COc2ccc(C#N)cc2)O1	ZINC000282497066	182020385	/nfs/dbraw/zinc/02/03/85/182020385.db2.gz	QKISICOUAZDUMJ-GSIXPNJASA-N	1	0	374.437	1.481	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCc2cccc(C#N)c2)C1	ZINC000283501054	182199214	/nfs/dbraw/zinc/19/92/14/182199214.db2.gz	ASKBPVHUUUWYFP-GOSISDBHSA-N	1	0	356.470	1.659	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1	ZINC000545295343	541928358	/nfs/dbraw/zinc/92/83/58/541928358.db2.gz	CRNDJDLBHIMGMK-SOUVJXGZSA-N	1	0	372.469	1.988	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2OC)C[C@@H]1C	ZINC000545296273	541928478	/nfs/dbraw/zinc/92/84/78/541928478.db2.gz	VPBUKJUWQZUQFJ-ZFWWWQNUSA-N	1	0	358.442	1.837	20	30		FDEDRO
Cn1cccc1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000284098274	182365344	/nfs/dbraw/zinc/36/53/44/182365344.db2.gz	PMASLXUPUZPGOA-UHFFFAOYSA-N	1	0	367.453	1.103	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](C)C1	ZINC000284142230	182377801	/nfs/dbraw/zinc/37/78/01/182377801.db2.gz	WRJAHAPGGNPHHQ-PMPSAXMXSA-N	1	0	356.470	1.972	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1C#N	ZINC000285350327	182781831	/nfs/dbraw/zinc/78/18/31/182781831.db2.gz	ATZQWXDDMYCBNO-HOCLYGCPSA-N	1	0	351.472	1.764	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@H+]1CC=C(C)CC1	ZINC000546571754	542168922	/nfs/dbraw/zinc/16/89/22/542168922.db2.gz	VUDSYTIOSBBMQB-UHFFFAOYSA-N	1	0	356.426	1.664	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1	ZINC000546709019	542206090	/nfs/dbraw/zinc/20/60/90/542206090.db2.gz	NDNNDIACPYDUIS-KRWDZBQOSA-N	1	0	362.455	1.059	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000546707109	542205240	/nfs/dbraw/zinc/20/52/40/542205240.db2.gz	ALFCVONGLZVOLK-UHFFFAOYSA-N	1	0	358.442	1.931	20	30		FDEDRO
CC[NH+](CC)[C@@H](CNC(=O)NCCn1cnc(C#N)n1)Cc1ccccc1	ZINC000287704125	183360803	/nfs/dbraw/zinc/36/08/03/183360803.db2.gz	FVHYLGOALVIJCN-QGZVFWFLSA-N	1	0	369.473	1.402	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1	ZINC000287709658	183362832	/nfs/dbraw/zinc/36/28/32/183362832.db2.gz	QVEZOQATHZHQCT-JTQLQIEISA-N	1	0	365.231	1.327	20	30		FDEDRO
C[C@H](CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)C[NH+]1CCCC1	ZINC000291722115	183813783	/nfs/dbraw/zinc/81/37/83/183813783.db2.gz	WWIUJSIITIWVHT-NVXWUHKLSA-N	1	0	357.458	1.848	20	30		FDEDRO
CC(C)O[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1(C)C	ZINC000296283985	184149099	/nfs/dbraw/zinc/14/90/99/184149099.db2.gz	OXDLYKZKVCQPND-CABCVRRESA-N	1	0	351.472	1.909	20	30		FDEDRO
CC(C)O[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1(C)C	ZINC000296283992	184149413	/nfs/dbraw/zinc/14/94/13/184149413.db2.gz	OXDLYKZKVCQPND-GJZGRUSLSA-N	1	0	351.472	1.909	20	30		FDEDRO
N#Cc1ccccc1N1CCCN(C(=O)NCC[N@@H+]2CCCOCC2)CC1	ZINC000297050186	184229549	/nfs/dbraw/zinc/22/95/49/184229549.db2.gz	KYNSSBFRCBBBKG-UHFFFAOYSA-N	1	0	371.485	1.502	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1	ZINC000297847267	184341075	/nfs/dbraw/zinc/34/10/75/184341075.db2.gz	MGVBPWGEZRDNDK-SFHVURJKSA-N	1	0	354.454	1.603	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1	ZINC000547318699	542311326	/nfs/dbraw/zinc/31/13/26/542311326.db2.gz	RAPUNMVAEQHLBM-UHFFFAOYSA-N	1	0	365.441	2.219	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1	ZINC000547418520	542336061	/nfs/dbraw/zinc/33/60/61/542336061.db2.gz	YHTYHKDJSHQBOW-CQSZACIVSA-N	1	0	358.442	1.742	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1cccnc1[N+](=O)[O-])C(C)C	ZINC000547710524	542424709	/nfs/dbraw/zinc/42/47/09/542424709.db2.gz	TXLHBOQIMVDHMT-AWEZNQCLSA-N	1	0	368.459	1.967	20	30		FDEDRO
C[NH+](C)CC(C)(C)Cn1c(=O)/c(=C/c2ccsc2)sc1=C(C#N)C#N	ZINC000170721901	258264561	/nfs/dbraw/zinc/26/45/61/258264561.db2.gz	YEDIWPJEBXQQGU-CHHVJCJISA-N	1	0	372.519	1.586	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)C[C@@H]1CCOC1	ZINC000171958079	258270630	/nfs/dbraw/zinc/27/06/30/258270630.db2.gz	MINMGUOJLKWUOI-QGZVFWFLSA-N	1	0	351.472	1.288	20	30		FDEDRO
Cc1c([C@H]2OCC[C@@H]2[NH2+]CC(=O)NCc2ccc(C#N)cc2)cnn1C	ZINC000548664066	542736921	/nfs/dbraw/zinc/73/69/21/542736921.db2.gz	YGZCTPLEJCWVNL-PKOBYXMFSA-N	1	0	353.426	1.336	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C2CC2)C(C)(C)CO)CC1	ZINC000550101670	543006604	/nfs/dbraw/zinc/00/66/04/543006604.db2.gz	RRMPPSQPFVRSKE-FUHWJXTLSA-N	1	0	350.507	1.065	20	30		FDEDRO
N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1	ZINC000550226849	543043109	/nfs/dbraw/zinc/04/31/09/543043109.db2.gz	KQBUEKJZWHRHAN-CQSZACIVSA-N	1	0	360.443	1.369	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2)c1ccc(C#N)cc1	ZINC000550591732	543131933	/nfs/dbraw/zinc/13/19/33/543131933.db2.gz	JANHBVWBDRNXNQ-OAHLLOKOSA-N	1	0	354.454	1.822	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1	ZINC000550706268	543154430	/nfs/dbraw/zinc/15/44/30/543154430.db2.gz	CCYOBRACTVQHQN-TVFCKZIOSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@H](C)[C@@H]1CO)C(C)C	ZINC000551219090	543253948	/nfs/dbraw/zinc/25/39/48/543253948.db2.gz	PRYGBUGLEPXEIC-BBWFWOEESA-N	1	0	351.491	1.031	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@H]1CO)C(C)C	ZINC000551219091	543254178	/nfs/dbraw/zinc/25/41/78/543254178.db2.gz	PRYGBUGLEPXEIC-BRWVUGGUSA-N	1	0	351.491	1.031	20	30		FDEDRO
N#CCCCOc1cccc(C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)c1	ZINC000552245940	543442543	/nfs/dbraw/zinc/44/25/43/543442543.db2.gz	AVZFYYOPIHEYTG-INIZCTEOSA-N	1	0	351.472	1.870	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)N(C)Cc2cccc(C#N)c2)CC1	ZINC000074659048	172085802	/nfs/dbraw/zinc/08/58/02/172085802.db2.gz	CSTVUAGKJBJLJD-KRWDZBQOSA-N	1	0	357.502	1.973	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H](CN2CCOCC2)C1	ZINC000077312191	172124114	/nfs/dbraw/zinc/12/41/14/172124114.db2.gz	BYXVEEFOUATXCO-GOSISDBHSA-N	1	0	359.470	1.990	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1	ZINC000079042244	172157843	/nfs/dbraw/zinc/15/78/43/172157843.db2.gz	RQYLPUZUZFEQEW-QGZVFWFLSA-N	1	0	369.469	1.395	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N(C)Cc1ccc(C#N)cc1	ZINC000102049531	172346000	/nfs/dbraw/zinc/34/60/00/172346000.db2.gz	OKDWSUZGJNLSFP-GOSISDBHSA-N	1	0	371.485	1.642	20	30		FDEDRO
COc1ccccc1C[N@H+](CCO)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000103143939	172361088	/nfs/dbraw/zinc/36/10/88/172361088.db2.gz	RSOQUHQMESTYLS-GOSISDBHSA-N	1	0	356.422	1.801	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](N3CCC(C[NH+]4CCOCC4)CC3)C2=O)cc1	ZINC000103482206	172368270	/nfs/dbraw/zinc/36/82/70/172368270.db2.gz	QEFQMFPZKTWVEP-FQEVSTJZSA-N	1	0	368.481	1.708	20	30		FDEDRO
C[C@H](C(=O)Nc1ccccc1C#N)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000104067722	172374417	/nfs/dbraw/zinc/37/44/17/172374417.db2.gz	MVWTVUOIJLUEMO-RDTXWAMCSA-N	1	0	369.469	1.299	20	30		FDEDRO
Cn1cc(C(=O)NCC2CC[NH+](CCOc3cccc(C#N)c3)CC2)cn1	ZINC000104092318	172375592	/nfs/dbraw/zinc/37/55/92/172375592.db2.gz	ZQOKQWAFQGRDAV-UHFFFAOYSA-N	1	0	367.453	1.813	20	30		FDEDRO
COCCC[N@H+](CCCOc1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1	ZINC000126966212	173061016	/nfs/dbraw/zinc/06/10/16/173061016.db2.gz	KXEAFDNBRZDKLE-KRWDZBQOSA-N	1	0	366.483	1.853	20	30		FDEDRO
C[C@@H]1CCC[N@H+](CCNC(=O)N2CCN(c3ncccc3C#N)CC2)C1	ZINC000127068910	173064079	/nfs/dbraw/zinc/06/40/79/173064079.db2.gz	WHBUNOPATDNHOV-MRXNPFEDSA-N	1	0	356.474	1.517	20	30		FDEDRO
CC1CC[NH+](C2CCC(Nc3c(C#N)c(=O)n(C)c(=O)n3C)CC2)CC1	ZINC000132175568	173224523	/nfs/dbraw/zinc/22/45/23/173224523.db2.gz	ZXSCHZCZTAJZPS-UHFFFAOYSA-N	1	0	359.474	1.411	20	30		FDEDRO
C[C@H]1OCC[C@@H]1S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000135520513	173346946	/nfs/dbraw/zinc/34/69/46/173346946.db2.gz	LLUQKNKNOAGRRQ-PBHICJAKSA-N	1	0	351.472	1.429	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@]2(CO)CCc3ccccc32)cc1	ZINC000136181350	173357624	/nfs/dbraw/zinc/35/76/24/173357624.db2.gz	BBWLKBILJCWCAE-IBGZPJMESA-N	1	0	356.447	1.756	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)Nc1ccc(C#N)cc1F	ZINC000136624654	173362991	/nfs/dbraw/zinc/36/29/91/173362991.db2.gz	PSAKVHJSVREKAN-UHFFFAOYSA-N	1	0	358.373	1.819	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+]C3CCN(S(=O)(=O)C4CC4)CC3)n2c1	ZINC000151272575	173395834	/nfs/dbraw/zinc/39/58/34/173395834.db2.gz	CWFFVRRQDBDPFX-UHFFFAOYSA-N	1	0	359.455	1.252	20	30		FDEDRO
C[C@@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccc(F)cc2C#N)C[C@@H](C)O1	ZINC000175945564	174038731	/nfs/dbraw/zinc/03/87/31/174038731.db2.gz	HBXOMDBMQGFZNP-CHWSQXEVSA-N	1	0	362.405	1.251	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)cc2C#N)CC1	ZINC000175975858	174040644	/nfs/dbraw/zinc/04/06/44/174040644.db2.gz	AFVGZEBZCLFHIH-UHFFFAOYSA-N	1	0	362.405	1.253	20	30		FDEDRO
Cc1sc(NC(=O)CN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c(C#N)c1C	ZINC000177129705	174108348	/nfs/dbraw/zinc/10/83/48/174108348.db2.gz	UNIKYBSNWJHOIS-VXGBXAGGSA-N	1	0	350.488	1.562	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccccc1C#N)N(C)CC[N@H+](C)C1CCN(C)CC1	ZINC000177377269	174126126	/nfs/dbraw/zinc/12/61/26/174126126.db2.gz	RZWJHEQWFHXPIE-INIZCTEOSA-N	1	0	357.502	1.843	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2ccc(F)cc2C#N)CC1	ZINC000177904674	174163984	/nfs/dbraw/zinc/16/39/84/174163984.db2.gz	BFFNZJIDXPQSNE-UHFFFAOYSA-N	1	0	361.421	1.715	20	30		FDEDRO
C[C@@H]([NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1)c1ccc(C#N)cc1	ZINC000174125716	258319338	/nfs/dbraw/zinc/31/93/38/258319338.db2.gz	XLHDHBOLYVMZKW-CQSZACIVSA-N	1	0	373.482	1.796	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1	ZINC000178016351	258327665	/nfs/dbraw/zinc/32/76/65/258327665.db2.gz	DDBRHQUXEGBXHY-CABCVRRESA-N	1	0	358.442	1.884	20	30		FDEDRO
C[NH+](C)C[C@@](C)(O)CNC(=O)NCCSCc1ccccc1C#N	ZINC000178930375	258339922	/nfs/dbraw/zinc/33/99/22/258339922.db2.gz	VNGNYDFNKTYVLY-KRWDZBQOSA-N	1	0	350.488	1.403	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)CC1	ZINC000553330728	543611482	/nfs/dbraw/zinc/61/14/82/543611482.db2.gz	RXDDARFQSPKUOD-UHFFFAOYSA-N	1	0	360.414	1.286	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2CC)CC1	ZINC000553669658	543677879	/nfs/dbraw/zinc/67/78/79/543677879.db2.gz	YISYBRFXFLICOM-QGZVFWFLSA-N	1	0	373.501	1.203	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCC1CC[NH+](CC)CC1	ZINC000553897278	543713604	/nfs/dbraw/zinc/71/36/04/543713604.db2.gz	FCIBDBNODWQDSB-SJORKVTESA-N	1	0	351.491	1.322	20	30		FDEDRO
Cc1cc(=NC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)[nH]n1CCC#N	ZINC000555031956	543904680	/nfs/dbraw/zinc/90/46/80/543904680.db2.gz	WGEHRMCTKAQVDZ-UHFFFAOYSA-N	1	0	368.441	1.787	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)c1C#N	ZINC000555144356	543918076	/nfs/dbraw/zinc/91/80/76/543918076.db2.gz	JRTOSOCXAKNVAJ-JKSUJKDBSA-N	1	0	374.514	1.782	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)c1C#N	ZINC000555144352	543918381	/nfs/dbraw/zinc/91/83/81/543918381.db2.gz	JRTOSOCXAKNVAJ-HOTGVXAUSA-N	1	0	374.514	1.782	20	30		FDEDRO
C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1	ZINC000555194506	543924052	/nfs/dbraw/zinc/92/40/52/543924052.db2.gz	NMCGGTQIWGZPJW-INIZCTEOSA-N	1	0	358.490	1.763	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]CC3(N4CCOCC4)CCCCC3)cnc12	ZINC000555554290	543972248	/nfs/dbraw/zinc/97/22/48/543972248.db2.gz	WBEKEMDLEDKNSP-UHFFFAOYSA-N	1	0	354.458	1.726	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(c2cnccc2C#N)CC1)[N@@H+]1CCC[C@@H](C)C1	ZINC000555535016	543967153	/nfs/dbraw/zinc/96/71/53/543967153.db2.gz	DYMAIUISFWBOKD-SJORKVTESA-N	1	0	370.501	1.905	20	30		FDEDRO
CN1CC[N@H+](CCCNC(=O)NCC2(C#N)CC2)[C@@H](c2ccccc2)C1	ZINC000555680330	544004052	/nfs/dbraw/zinc/00/40/52/544004052.db2.gz	WWODURMBZXHYLG-GOSISDBHSA-N	1	0	355.486	1.968	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CCSC1)C(C)C	ZINC000556206604	544117897	/nfs/dbraw/zinc/11/78/97/544117897.db2.gz	MBAOQLQSTPHTSP-CVEARBPZSA-N	1	0	353.532	1.765	20	30		FDEDRO
C=CCn1c(CC(C)(C)C)nnc1N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1	ZINC000556445366	544145021	/nfs/dbraw/zinc/14/50/21/544145021.db2.gz	ZSNWSCKZVREETO-INIZCTEOSA-N	1	0	374.533	1.843	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1	ZINC000556524495	544152281	/nfs/dbraw/zinc/15/22/81/544152281.db2.gz	GVZGKYOGHHBFSQ-SJORKVTESA-N	1	0	359.474	1.366	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000556692166	544176757	/nfs/dbraw/zinc/17/67/57/544176757.db2.gz	GDXWIDASPCEPEG-RTBURBONSA-N	1	0	364.449	1.875	20	30		FDEDRO
CC(C)NC(=O)CN(C)CC(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000556996478	544230868	/nfs/dbraw/zinc/23/08/68/544230868.db2.gz	FLAJFCHDEBBKMN-UHFFFAOYSA-N	1	0	372.469	1.384	20	30		FDEDRO
N#CC1(c2ccccn2)CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1	ZINC000557305996	544276307	/nfs/dbraw/zinc/27/63/07/544276307.db2.gz	MJRGCSDQVDHGSB-MRXNPFEDSA-N	1	0	369.469	1.099	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[C@H](SCC)C2)CC1	ZINC000557732082	544337983	/nfs/dbraw/zinc/33/79/83/544337983.db2.gz	UNFMOOCUJZHMDD-HOTGVXAUSA-N	1	0	353.532	1.886	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCO[C@H](c3cccs3)C2)CC1	ZINC000557733878	544338081	/nfs/dbraw/zinc/33/80/81/544338081.db2.gz	NHKCIVAYVOXKTH-HNNXBMFYSA-N	1	0	363.483	1.415	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC(OCC3CC3)CC2)CC1	ZINC000557731943	544337917	/nfs/dbraw/zinc/33/79/17/544337917.db2.gz	YKXCBROXAAZMLI-UHFFFAOYSA-N	1	0	363.502	1.561	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1	ZINC000558211353	544400528	/nfs/dbraw/zinc/40/05/28/544400528.db2.gz	ZHMOXVQHONPUIB-CRAIPNDOSA-N	1	0	356.470	1.896	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1	ZINC000558225767	544402087	/nfs/dbraw/zinc/40/20/87/544402087.db2.gz	UEXGCHXYFIGBEI-MRXNPFEDSA-N	1	0	374.485	1.384	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(CN2CCOCC2)cn1	ZINC000558545271	544462803	/nfs/dbraw/zinc/46/28/03/544462803.db2.gz	YHNUVGAALIVZJV-UHFFFAOYSA-N	1	0	359.474	1.221	20	30		FDEDRO
C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C2CCOCC2)CC1	ZINC000558990497	544566582	/nfs/dbraw/zinc/56/65/82/544566582.db2.gz	AJCUSPKSQXYBJR-UHFFFAOYSA-N	1	0	371.489	1.556	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@@H](C)OC[C@@H]1C)C(C)C	ZINC000559865022	544826172	/nfs/dbraw/zinc/82/61/72/544826172.db2.gz	ORUGKTFEMJKUAI-GVDBMIGSSA-N	1	0	351.491	1.437	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1	ZINC000560342638	544965563	/nfs/dbraw/zinc/96/55/63/544965563.db2.gz	JMUCYOAEXAHCDT-QZTJIDSGSA-N	1	0	350.422	1.627	20	30		FDEDRO
COc1cc(C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)ccc1C#N	ZINC000289114499	258799234	/nfs/dbraw/zinc/79/92/34/258799234.db2.gz	DBPYXHRSFUDIEI-HNNXBMFYSA-N	1	0	351.472	1.670	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cnc(C(F)(F)F)c(C#N)c1	ZINC000294363867	258926199	/nfs/dbraw/zinc/92/61/99/258926199.db2.gz	VBTCEMVOXMWXOC-UHFFFAOYSA-N	1	0	371.407	1.928	20	30		FDEDRO
COCCCNC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000299605133	259010108	/nfs/dbraw/zinc/01/01/08/259010108.db2.gz	GQLIBSZMPOTCSM-HNNXBMFYSA-N	1	0	372.469	1.750	20	30		FDEDRO
C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C)C[C@@H]1N1CCOCC1	ZINC000328699997	259054014	/nfs/dbraw/zinc/05/40/14/259054014.db2.gz	ILFWISAIIACRAF-YOEHRIQHSA-N	1	0	352.442	1.511	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CCSC1	ZINC000331859365	259224960	/nfs/dbraw/zinc/22/49/60/259224960.db2.gz	YEOVXROTZQGXLD-SFHVURJKSA-N	1	0	358.511	1.640	20	30		FDEDRO
CC(C)(C)c1csc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1C#N	ZINC000332133755	259244075	/nfs/dbraw/zinc/24/40/75/259244075.db2.gz	KJNHSSISXBGODC-NEPJUHHUSA-N	1	0	360.483	1.924	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@@H](C)C(C)(C)C3)CC2)o1	ZINC000332309728	259256303	/nfs/dbraw/zinc/25/63/03/259256303.db2.gz	NUDDMSJSOVAZIE-CQSZACIVSA-N	1	0	359.474	1.871	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@H](C)CC(C)(C)C3)CC2)o1	ZINC000332411984	259265022	/nfs/dbraw/zinc/26/50/22/259265022.db2.gz	RSPPFTKVJJDWSO-CQSZACIVSA-N	1	0	359.474	1.871	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1F	ZINC000333647064	259366338	/nfs/dbraw/zinc/36/63/38/259366338.db2.gz	JEQALGLJVZPJRK-IRXDYDNUSA-N	1	0	367.446	1.604	20	30		FDEDRO
C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000333825403	259385414	/nfs/dbraw/zinc/38/54/14/259385414.db2.gz	LNFZOUOLMHFJSO-KSSFIOAISA-N	1	0	369.469	1.916	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000362901870	259509994	/nfs/dbraw/zinc/50/99/94/259509994.db2.gz	OZFGCGVKTIZDFC-KBXCAEBGSA-N	1	0	370.453	1.266	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)c1	ZINC000363282817	259567868	/nfs/dbraw/zinc/56/78/68/259567868.db2.gz	OUZHUDHFRYLQLT-QAPCUYQASA-N	1	0	360.433	1.997	20	30		FDEDRO
Cn1cc(C[C@H]2CC[N@@H+]([C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C2)cn1	ZINC000363586039	259623444	/nfs/dbraw/zinc/62/34/44/259623444.db2.gz	KSOWRVIVNVNJCY-CRAIPNDOSA-N	1	0	363.421	1.488	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)n1	ZINC000367426363	260039714	/nfs/dbraw/zinc/03/97/14/260039714.db2.gz	NTGNETRPSSTMKN-HNNXBMFYSA-N	1	0	356.405	1.317	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@@]4(C3)CCCOC4)CC2)o1	ZINC000367450729	260043874	/nfs/dbraw/zinc/04/38/74/260043874.db2.gz	PGQBQHNNDBIGIH-LJQANCHMSA-N	1	0	373.457	1.006	20	30		FDEDRO
N#Cc1ccc(OC2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)c(F)c1	ZINC000367598172	260066929	/nfs/dbraw/zinc/06/69/29/260066929.db2.gz	VLXNLOZQRMYHAE-MRXNPFEDSA-N	1	0	363.433	1.234	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCCS(=O)(=O)C3)C2)c(F)c1	ZINC000367748483	260085126	/nfs/dbraw/zinc/08/51/26/260085126.db2.gz	IALPOBKQLAKCOG-LSDHHAIUSA-N	1	0	351.447	1.833	20	30		FDEDRO
CN1CC[NH+](CC2(C)CCN(S(=O)(=O)c3ccc(C#N)o3)CC2)CC1	ZINC000367873456	260104189	/nfs/dbraw/zinc/10/41/89/260104189.db2.gz	GFZPWLGIFRFVEH-UHFFFAOYSA-N	1	0	366.487	1.189	20	30		FDEDRO
CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1	ZINC000368664071	260216656	/nfs/dbraw/zinc/21/66/56/260216656.db2.gz	UDOITTNPMYCDHB-RTBURBONSA-N	1	0	354.454	1.650	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1	ZINC000368962489	260267898	/nfs/dbraw/zinc/26/78/98/260267898.db2.gz	AIOMTVZLIXEOMV-SFHVURJKSA-N	1	0	354.454	1.507	20	30		FDEDRO
COc1cc(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)ccc1C#N	ZINC000369052777	260287364	/nfs/dbraw/zinc/28/73/64/260287364.db2.gz	DLFGRJNCQHUHMQ-HNAYVOBHSA-N	1	0	353.426	1.610	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N2CCC([C@H](O)c3ncc[nH]3)CC2)c1C#N	ZINC000369174856	260307310	/nfs/dbraw/zinc/30/73/10/260307310.db2.gz	RVYSMNCBBLNMBR-INIZCTEOSA-N	1	0	360.439	1.724	20	30		FDEDRO
N#Cc1cccc(NC(=O)CN2CCC(c3nnc4n3CCC4)CC2)c1	ZINC000369283192	260333336	/nfs/dbraw/zinc/33/33/36/260333336.db2.gz	MPGUBRKKFGFHCM-UHFFFAOYSA-N	1	0	350.426	1.914	20	30		FDEDRO
CC[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@@]2(CCCOC2)O1	ZINC000369533570	260386194	/nfs/dbraw/zinc/38/61/94/260386194.db2.gz	UABZJCONSVBMJU-QWFCFKBJSA-N	1	0	360.454	1.958	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c1	ZINC000373061452	260974577	/nfs/dbraw/zinc/97/45/77/260974577.db2.gz	ZETBCINJMKGVES-RISCZKNCSA-N	1	0	370.272	1.693	20	30		FDEDRO
COc1cccc(CN(C)C(=O)C[NH+]2CCC(n3cnc(C#N)n3)CC2)c1	ZINC000373413918	261008663	/nfs/dbraw/zinc/00/86/63/261008663.db2.gz	UELYJRJMFQMOBJ-UHFFFAOYSA-N	1	0	368.441	1.454	20	30		FDEDRO
CC1(C)C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@@]2(CCCOC2)O1	ZINC000373788876	261040755	/nfs/dbraw/zinc/04/07/55/261040755.db2.gz	BRZSAELIYJZFKY-YLJYHZDGSA-N	1	0	360.454	1.958	20	30		FDEDRO
N#Cc1cccc(-n2ccc(C(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)n2)c1	ZINC000374228188	261097019	/nfs/dbraw/zinc/09/70/19/261097019.db2.gz	FYCLJQMBVOWGAS-SFHVURJKSA-N	1	0	365.437	1.727	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCCc3cccc(C#N)c3)CC2)C1	ZINC000374277005	261103038	/nfs/dbraw/zinc/10/30/38/261103038.db2.gz	HPTIAEHMVFTDIA-IBGZPJMESA-N	1	0	355.486	1.522	20	30		FDEDRO
CN1CCN(C2CCN(c3nc4c(cc3C#N)CCCC4)CC2)C(=O)C1	ZINC000374851356	261211077	/nfs/dbraw/zinc/21/10/77/261211077.db2.gz	DXILWMWSTKRGMN-UHFFFAOYSA-N	1	0	353.470	1.575	20	30		FDEDRO
N#Cc1cc(Cl)ccc1CN1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1	ZINC000375390832	261328678	/nfs/dbraw/zinc/32/86/78/261328678.db2.gz	IBBONEJRJPCYFA-QGZVFWFLSA-N	1	0	367.902	1.953	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(C(=O)c3ccc(C#N)c(O)c3)CC2)CC1	ZINC000408431370	262107561	/nfs/dbraw/zinc/10/75/61/262107561.db2.gz	GGHNGPVFEXNBMZ-UHFFFAOYSA-N	1	0	356.470	1.894	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)n1cnc(C#N)n1	ZINC000409826609	262140846	/nfs/dbraw/zinc/14/08/46/262140846.db2.gz	ZOLBRXJPJBBSFB-ZDUSSCGKSA-N	1	0	368.445	1.275	20	30		FDEDRO
O=C1NC(=O)C2(CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)N1	ZINC000270513087	674220573	/nfs/dbraw/zinc/22/05/73/674220573.db2.gz	KHPXQOBPNJRTJA-UHFFFAOYSA-N	1	0	351.328	1.731	20	30		FDEDRO
CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000527094811	490698804	/nfs/dbraw/zinc/69/88/04/490698804.db2.gz	UODDRZWDAMJUFV-UHFFFAOYSA-N	1	0	372.404	1.232	20	30		FDEDRO
CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000513142243	490710739	/nfs/dbraw/zinc/71/07/39/490710739.db2.gz	YUEMUBDXVPUIGK-UHFFFAOYSA-N	1	0	372.404	1.278	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C[C@@H]1C	ZINC000505047540	490817787	/nfs/dbraw/zinc/81/77/87/490817787.db2.gz	GLNIDQOUROTSST-DZGCQCFKSA-N	1	0	360.462	1.375	20	30		FDEDRO
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NC[C@H]2COCC[NH2+]2)n1	ZINC000528688200	490820040	/nfs/dbraw/zinc/82/00/40/490820040.db2.gz	QLGOJKALRMOWLP-ZDUSSCGKSA-N	1	0	360.805	1.507	20	30		FDEDRO
C[NH+]1CCC(O)(CNC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1	ZINC000541100003	490850080	/nfs/dbraw/zinc/85/00/80/490850080.db2.gz	DRDOKOYTMCWJNA-UHFFFAOYSA-N	1	0	372.404	1.461	20	30		FDEDRO
Cc1cc(NC(=O)CCN2CCN(c3c(C#N)c(C)nn3C)CC2)no1	ZINC000530519394	490910085	/nfs/dbraw/zinc/91/00/85/490910085.db2.gz	NNHXCHUTSRGNGX-UHFFFAOYSA-N	1	0	357.418	1.047	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(Cn3cncn3)c2)c1C#N	ZINC000600815178	491884391	/nfs/dbraw/zinc/88/43/91/491884391.db2.gz	QLINASRACISJFF-UHFFFAOYSA-N	1	0	364.413	1.325	20	30		FDEDRO
Cn1cc(C#N)c(NC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)n1	ZINC000612573449	491935137	/nfs/dbraw/zinc/93/51/37/491935137.db2.gz	BKDXOGUXYDZNCV-UHFFFAOYSA-N	1	0	359.478	1.173	20	30		FDEDRO
Cn1cc(C#N)c(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)n1	ZINC000610876849	492266000	/nfs/dbraw/zinc/26/60/00/492266000.db2.gz	RLUHTCJHCVJYTL-DLBZAZTESA-N	1	0	368.441	1.296	20	30		FDEDRO
NC(=O)C1CC[NH+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1	ZINC000025523441	519068029	/nfs/dbraw/zinc/06/80/29/519068029.db2.gz	GOMXEGWDAXYQOZ-UHFFFAOYSA-N	1	0	367.371	1.370	20	30		FDEDRO
CNC(=O)c1ccc(C[N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)cc1	ZINC000029930995	519333512	/nfs/dbraw/zinc/33/35/12/519333512.db2.gz	PWDDHGKFMMRPCG-SFHVURJKSA-N	1	0	353.422	1.790	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)CC1	ZINC000057175698	522024477	/nfs/dbraw/zinc/02/44/77/522024477.db2.gz	HPRPLFMLTBPIPL-GOSISDBHSA-N	1	0	368.481	1.912	20	30		FDEDRO
CN(C)c1nc(C[N@H+](C)[C@H]2CCN(c3ncccc3C#N)C2)cc(=O)[nH]1	ZINC000275854472	522333964	/nfs/dbraw/zinc/33/39/64/522333964.db2.gz	XCWNZIDJNSKSLY-HNNXBMFYSA-N	1	0	353.430	1.226	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCC2)N1CCN(c2ccccc2OC)CC1	ZINC000072677605	522352609	/nfs/dbraw/zinc/35/26/09/522352609.db2.gz	JRWQYFALGHHQFZ-UHFFFAOYSA-N	1	0	369.473	1.131	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1	ZINC000046862005	522370393	/nfs/dbraw/zinc/37/03/93/522370393.db2.gz	IOHANGYZKFIEDI-HNNXBMFYSA-N	1	0	363.483	1.060	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000047010250	522423361	/nfs/dbraw/zinc/42/33/61/522423361.db2.gz	WPUUWGGJJRGMPU-UHFFFAOYSA-N	1	0	356.386	1.253	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1	ZINC000072904607	522425390	/nfs/dbraw/zinc/42/53/90/522425390.db2.gz	YTNPQAFHKUMAEB-MRXNPFEDSA-N	1	0	374.485	1.269	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(NCc2cccc(Cl)c2)=[NH+]C2CC2)C1	ZINC000073248010	522494561	/nfs/dbraw/zinc/49/45/61/522494561.db2.gz	PGDLEUWVCBSMBI-CYBMUJFWSA-N	1	0	355.891	1.972	20	30		FDEDRO
C[NH+]=C(NC[C@H](c1ccco1)N(C)C)N1CCN(c2ncccn2)CC1	ZINC000073447764	522530739	/nfs/dbraw/zinc/53/07/39/522530739.db2.gz	DONKGOLPMUSNOE-OAHLLOKOSA-N	1	0	357.462	1.070	20	30		FDEDRO
N#CCCn1ccc(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)n1	ZINC000073797317	522608770	/nfs/dbraw/zinc/60/87/70/522608770.db2.gz	NYXPLCCESAYXQU-UHFFFAOYSA-N	1	0	352.442	1.948	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1	ZINC000065638402	522854838	/nfs/dbraw/zinc/85/48/38/522854838.db2.gz	HRTWDYZLMQMNOG-HNNXBMFYSA-N	1	0	358.442	1.742	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1	ZINC000075200512	522891593	/nfs/dbraw/zinc/89/15/93/522891593.db2.gz	UGGDNMDCWYMASE-GOSISDBHSA-N	1	0	354.454	1.669	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCC[N@@H+](C)[C@H](C)CC)cc1	ZINC000066127207	522962177	/nfs/dbraw/zinc/96/21/77/522962177.db2.gz	BEOVETUFHOCNAO-CQSZACIVSA-N	1	0	353.488	1.611	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1	ZINC000066222899	522988888	/nfs/dbraw/zinc/98/88/88/522988888.db2.gz	PDFBOYKQFJPQQG-MRXNPFEDSA-N	1	0	370.453	1.981	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC#N)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1	ZINC000066534338	523098705	/nfs/dbraw/zinc/09/87/05/523098705.db2.gz	BWIHUIZUQHVPDP-IBGZPJMESA-N	1	0	371.529	1.497	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H](C)Oc2ccccc2C#N)CC1	ZINC000076485617	523122833	/nfs/dbraw/zinc/12/28/33/523122833.db2.gz	KKLBYBYFDRDCRH-DLBZAZTESA-N	1	0	358.486	1.715	20	30		FDEDRO
COc1ccccc1N1C[C@H](C(=O)NC2(C#N)CC[NH+](C)CC2)CC1=O	ZINC000077037652	523239633	/nfs/dbraw/zinc/23/96/33/523239633.db2.gz	GGJWOWGQYIFRSH-CQSZACIVSA-N	1	0	356.426	1.152	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(Cc3csc(CC)n3)CC2)CC1	ZINC000066922409	523266356	/nfs/dbraw/zinc/26/63/56/523266356.db2.gz	ROBPGDSPUBZMIR-UHFFFAOYSA-N	1	0	360.527	1.695	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N(C)CCCN1CC[NH+](C)CC1	ZINC000077392597	523320066	/nfs/dbraw/zinc/32/00/66/523320066.db2.gz	DSVLFAFXXDNXMY-UHFFFAOYSA-N	1	0	350.488	1.125	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCCC[NH+]1CCOCC1	ZINC000067347080	523398082	/nfs/dbraw/zinc/39/80/82/523398082.db2.gz	RMTKLKJPPZPJEN-UHFFFAOYSA-N	1	0	374.441	1.124	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCCN(C(C)=O)CC2)c(OC)c1	ZINC000053457501	523437692	/nfs/dbraw/zinc/43/76/92/523437692.db2.gz	XBXWOLCRPSPDFK-GOSISDBHSA-N	1	0	362.470	1.718	20	30		FDEDRO
C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)Cn3cnc(C#N)n3)cc2)C1	ZINC000053620565	523476523	/nfs/dbraw/zinc/47/65/23/523476523.db2.gz	LXZLPMKJECMPEE-HNNXBMFYSA-N	1	0	352.442	1.698	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1	ZINC000054183138	523587351	/nfs/dbraw/zinc/58/73/51/523587351.db2.gz	PBHOLCDVHYUQRT-KBPBESRZSA-N	1	0	359.430	1.132	20	30		FDEDRO
CCn1nc2c(cc1=O)C[N@@H+](CCOc1ccc(C#N)cc1OC)CC2	ZINC000078617874	523617315	/nfs/dbraw/zinc/61/73/15/523617315.db2.gz	KWBJRFDBNHPVLX-UHFFFAOYSA-N	1	0	354.410	1.581	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000054510702	523652083	/nfs/dbraw/zinc/65/20/83/523652083.db2.gz	DGCUEFHGRMAPKA-KRWDZBQOSA-N	1	0	356.474	1.517	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(CS(C)(=O)=O)cc1	ZINC000068233202	523737828	/nfs/dbraw/zinc/73/78/28/523737828.db2.gz	VFTXREISGLDQEG-UHFFFAOYSA-N	1	0	351.472	1.539	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[C@H]([NH+](C)C)C1	ZINC000068341242	523763226	/nfs/dbraw/zinc/76/32/26/523763226.db2.gz	AMFWQKQTWITUKQ-INIZCTEOSA-N	1	0	354.458	1.703	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(NCc2cc(F)ccc2F)=[NH+]C2CC2)C1	ZINC000080750626	523902202	/nfs/dbraw/zinc/90/22/02/523902202.db2.gz	CYYVKDNMZYSLRH-LLVKDONJSA-N	1	0	357.426	1.597	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1	ZINC000110515295	524098987	/nfs/dbraw/zinc/09/89/87/524098987.db2.gz	QYVMEMIWNPCVHZ-MRXNPFEDSA-N	1	0	363.483	1.461	20	30		FDEDRO
C=C(C)COCCNC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000135009134	524103085	/nfs/dbraw/zinc/10/30/85/524103085.db2.gz	QQCPEKZAWWVJQN-UHFFFAOYSA-N	1	0	360.502	1.696	20	30		FDEDRO
C[NH+](C)CC(=O)N1CCN(C(=O)CCCCOc2cccc(C#N)c2)CC1	ZINC000110626643	524114055	/nfs/dbraw/zinc/11/40/55/524114055.db2.gz	LRYDWUUIWRUHOJ-UHFFFAOYSA-N	1	0	372.469	1.340	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)CN2CCN(c3ccc(C#N)cn3)CC2)CC1	ZINC000172246823	524178686	/nfs/dbraw/zinc/17/86/86/524178686.db2.gz	FJKQKWKAVDSEFP-UHFFFAOYSA-N	1	0	370.501	1.064	20	30		FDEDRO
N#Cc1cccc(NC(=O)CCN2CC[NH+](CC3CCOCC3)CC2)c1	ZINC000172422481	524219117	/nfs/dbraw/zinc/21/91/17/524219117.db2.gz	XKTUUQXBLHPGCB-UHFFFAOYSA-N	1	0	356.470	1.931	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000083170703	524242397	/nfs/dbraw/zinc/24/23/97/524242397.db2.gz	VOIMBYPIBBMQAE-IBGZPJMESA-N	1	0	370.453	1.012	20	30		FDEDRO
C=CCN(C)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1	ZINC000157321975	524252866	/nfs/dbraw/zinc/25/28/66/524252866.db2.gz	KREZUTGBBYMWTE-UHFFFAOYSA-N	1	0	366.487	1.663	20	30		FDEDRO
C[NH+]=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)N[C@@H]1C[C@@H]1C	ZINC000083906025	524278443	/nfs/dbraw/zinc/27/84/43/524278443.db2.gz	FHXCEYFZGPKCOK-WMLDXEAASA-N	1	0	364.515	1.661	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCCCOc2cc(OC)cc(OC)c2)CC1	ZINC000084812289	524332207	/nfs/dbraw/zinc/33/22/07/524332207.db2.gz	NDQVSDUKWFVRNY-UHFFFAOYSA-N	1	0	360.454	1.934	20	30		FDEDRO
C[C@H]1CCC[N@H+](CCNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1	ZINC000157929000	524368205	/nfs/dbraw/zinc/36/82/05/524368205.db2.gz	DDRBRLFUPSSMOT-HOTGVXAUSA-N	1	0	371.489	1.300	20	30		FDEDRO
C[C@H](CNC(=O)CSCc1ccc(C#N)cc1)C[NH+]1CCN(C)CC1	ZINC000121802967	524368946	/nfs/dbraw/zinc/36/89/46/524368946.db2.gz	GCBIAJKDICLJET-MRXNPFEDSA-N	1	0	360.527	1.791	20	30		FDEDRO
CC[C@H](NC(=O)N1CCO[C@H](C#N)C1)[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000121903660	524401158	/nfs/dbraw/zinc/40/11/58/524401158.db2.gz	DHHSUKBVKCZEIQ-QYZOEREBSA-N	1	0	372.469	1.600	20	30		FDEDRO
C[NH+]=C(NCC1CCN(C(C)=O)CC1)N(C)Cc1ccc2c(c1)OCO2	ZINC000086630047	524403799	/nfs/dbraw/zinc/40/37/99/524403799.db2.gz	MRJGRXDLZQGMHC-UHFFFAOYSA-N	1	0	360.458	1.681	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc(-c2cnco2)c1	ZINC000122118293	524456274	/nfs/dbraw/zinc/45/62/74/524456274.db2.gz	WLQNXTXKZDTCMX-UHFFFAOYSA-N	1	0	369.425	1.974	20	30		FDEDRO
Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C(=O)Nc1sc3c(c1C#N)CCC3)CC2	ZINC000112549287	524503162	/nfs/dbraw/zinc/50/31/62/524503162.db2.gz	MHLXLGDXVWYBTB-PWSUYJOCSA-N	1	0	370.482	1.940	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CCNC(=O)c2cccs2)c1C#N	ZINC000089662995	524517597	/nfs/dbraw/zinc/51/75/97/524517597.db2.gz	IAWGGAPJUXGVJU-UHFFFAOYSA-N	1	0	360.443	1.253	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)c1C#N	ZINC000089675647	524519451	/nfs/dbraw/zinc/51/94/51/524519451.db2.gz	STTJRSLODIFAKU-KRWDZBQOSA-N	1	0	353.426	1.992	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)NC(=O)c2cccc(C)c2)c1C#N	ZINC000089675405	524520260	/nfs/dbraw/zinc/52/02/60/524520260.db2.gz	CWMWWHRRRMTHFC-CYBMUJFWSA-N	1	0	368.441	1.499	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccn(-c3ccccc3)n2)c1C#N	ZINC000089676300	524520345	/nfs/dbraw/zinc/52/03/45/524520345.db2.gz	RXBQWUPIQHGXGR-UHFFFAOYSA-N	1	0	363.425	1.800	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@](C)(CC)COc1ncccc1Cl	ZINC000159153924	524606601	/nfs/dbraw/zinc/60/66/01/524606601.db2.gz	ULJNKHDFZZTPEX-INIZCTEOSA-N	1	0	354.838	1.884	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)c1	ZINC000174527109	524614783	/nfs/dbraw/zinc/61/47/83/524614783.db2.gz	HCVNUMBBOMTMCH-HNNXBMFYSA-N	1	0	363.483	1.012	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nc(C(F)(F)F)ccc2C#N)CC1	ZINC000151609143	524627983	/nfs/dbraw/zinc/62/79/83/524627983.db2.gz	KUOZFKUHFZIAOF-ZDUSSCGKSA-N	1	0	367.375	1.715	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)n1	ZINC000091190026	524653683	/nfs/dbraw/zinc/65/36/83/524653683.db2.gz	WQZCSSGGYPJAFQ-UHFFFAOYSA-N	1	0	360.462	1.655	20	30		FDEDRO
Cc1cc(N2CC[C@H]([NH2+]Cc3ccc(N(C)CCC#N)cc3)C2=O)n(C)n1	ZINC000174620052	524656126	/nfs/dbraw/zinc/65/61/26/524656126.db2.gz	LGBMDLZQXIDATE-SFHVURJKSA-N	1	0	366.469	1.974	20	30		FDEDRO
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)n1	ZINC000091222820	524667446	/nfs/dbraw/zinc/66/74/46/524667446.db2.gz	VOLDFEBHQGEMPO-AWEZNQCLSA-N	1	0	358.446	1.049	20	30		FDEDRO
CS(=O)(=O)NCCC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000113317447	524670898	/nfs/dbraw/zinc/67/08/98/524670898.db2.gz	BJEXGSUHHYICEB-UHFFFAOYSA-N	1	0	361.471	1.493	20	30		FDEDRO
COc1ccccc1N1CC[C@@H]([NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)C1	ZINC000151859153	524705822	/nfs/dbraw/zinc/70/58/22/524705822.db2.gz	NWNIMROLPMZWNP-APWZRJJASA-N	1	0	350.422	1.962	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1	ZINC000174744031	524720011	/nfs/dbraw/zinc/72/00/11/524720011.db2.gz	XBKFCESGHOOTJB-OAHLLOKOSA-N	1	0	358.442	1.694	20	30		FDEDRO
C[NH+]=C(NCc1cccnc1-n1ccnc1)N1CCC(C(=O)OC)CC1	ZINC000114077722	524742095	/nfs/dbraw/zinc/74/20/95/524742095.db2.gz	UJGYBJBAKDIHMV-UHFFFAOYSA-N	1	0	356.430	1.228	20	30		FDEDRO
Cc1nsc(N2CCC[N@H+](C[C@H](O)COc3ccc(C#N)cc3)CC2)n1	ZINC000174801571	524742030	/nfs/dbraw/zinc/74/20/30/524742030.db2.gz	VDVRUNHUXRUGAM-INIZCTEOSA-N	1	0	373.482	1.670	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)C2CCC(CO)CC2)CC1	ZINC000091631711	524748290	/nfs/dbraw/zinc/74/82/90/524748290.db2.gz	WWALWZGIHZISEP-ABHNRTSZSA-N	1	0	350.507	1.162	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C[N@@H+]1C1CC1	ZINC000123737326	524820035	/nfs/dbraw/zinc/82/00/35/524820035.db2.gz	YGMOHYHMXCNAHG-SOUVJXGZSA-N	1	0	369.473	1.194	20	30		FDEDRO
CN(CCC#N)c1ccc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)cc1	ZINC000091963944	524820225	/nfs/dbraw/zinc/82/02/25/524820225.db2.gz	NAEZWFPIJQBBLW-UHFFFAOYSA-N	1	0	364.515	1.892	20	30		FDEDRO
CC(C)OCCS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000175078952	524861979	/nfs/dbraw/zinc/86/19/79/524861979.db2.gz	HQCWCAJYUAPXJO-UHFFFAOYSA-N	1	0	353.488	1.677	20	30		FDEDRO
C=CCc1ccc(OCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(OC)c1	ZINC000160340607	524863191	/nfs/dbraw/zinc/86/31/91/524863191.db2.gz	TXAPILOEHSNAFE-QGZVFWFLSA-N	1	0	362.470	1.766	20	30		FDEDRO
Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](CCC(=O)N(C)CCC#N)C2)n1	ZINC000092802944	524917550	/nfs/dbraw/zinc/91/75/50/524917550.db2.gz	CTTQFPJOOHIXAR-MRXNPFEDSA-N	1	0	357.458	1.803	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH+]1CCN(c2ncnc3sccc32)CC1	ZINC000092802642	524917819	/nfs/dbraw/zinc/91/78/19/524917819.db2.gz	OVIDDKWCNUTZER-UHFFFAOYSA-N	1	0	358.471	1.575	20	30		FDEDRO
CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000124221574	524933254	/nfs/dbraw/zinc/93/32/54/524933254.db2.gz	CJJFBTYVRLUVNU-UHFFFAOYSA-N	1	0	358.442	1.862	20	30		FDEDRO
CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1ccc(C#N)nc1	ZINC000115346039	524972774	/nfs/dbraw/zinc/97/27/74/524972774.db2.gz	UXYAUIRUIJMJLP-QGZVFWFLSA-N	1	0	358.442	1.833	20	30		FDEDRO
COc1ccc(CC[NH2+]Cc2ccc(C#N)cc2F)cc1S(N)(=O)=O	ZINC000094013622	525009896	/nfs/dbraw/zinc/00/98/96/525009896.db2.gz	DQYGGLLWOPQQKP-UHFFFAOYSA-N	1	0	363.414	1.686	20	30		FDEDRO
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCN3C(=O)NC[C@@H]3C2)cc1	ZINC000175895723	525022925	/nfs/dbraw/zinc/02/29/25/525022925.db2.gz	MLVFBZDJAAURHZ-NVXWUHKLSA-N	1	0	355.442	1.340	20	30		FDEDRO
CCO[C@H]1C[C@@H](O)C12CC[NH+](C[C@H](O)COc1ccc(C#N)cc1)CC2	ZINC000152851707	525027408	/nfs/dbraw/zinc/02/74/08/525027408.db2.gz	DSCFEOLJWIXXEK-UHOSZYNNSA-N	1	0	360.454	1.550	20	30		FDEDRO
C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000175973698	525037143	/nfs/dbraw/zinc/03/71/43/525037143.db2.gz	QBULOTWDPVXOEP-OAHLLOKOSA-N	1	0	362.405	1.205	20	30		FDEDRO
C=C(C)CN1CCC([NH2+]C2CCN(CCN3CCOCC3)CC2)CC1	ZINC000153019946	525079943	/nfs/dbraw/zinc/07/99/43/525079943.db2.gz	VBBOAIPPBFLXMO-UHFFFAOYSA-N	1	0	350.551	1.413	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1	ZINC000176336170	525085742	/nfs/dbraw/zinc/08/57/42/525085742.db2.gz	JJUUHCNTVVESKU-UHFFFAOYSA-N	1	0	372.469	1.765	20	30		FDEDRO
C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2ccc(F)c(C#N)c2)CC1	ZINC000161472605	525115633	/nfs/dbraw/zinc/11/56/33/525115633.db2.gz	XOYFYEVELSWQTO-CYBMUJFWSA-N	1	0	369.462	1.411	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)CC1	ZINC000176500695	525131365	/nfs/dbraw/zinc/13/13/65/525131365.db2.gz	PBXVBXBVEWCLHE-MRXNPFEDSA-N	1	0	374.489	1.255	20	30		FDEDRO
N#CCCn1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)n1	ZINC000125189941	525161106	/nfs/dbraw/zinc/16/11/06/525161106.db2.gz	OKDWZQNMQATBES-CVEARBPZSA-N	1	0	360.462	1.686	20	30		FDEDRO
CN(CCN(C)S(=O)(=O)c1ccc(C#N)cc1)C1CC[NH+](C)CC1	ZINC000097000187	525166318	/nfs/dbraw/zinc/16/63/18/525166318.db2.gz	KNMCEKYGZVAWOM-UHFFFAOYSA-N	1	0	350.488	1.205	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC2(C#N)CCSCC2)CC1=O	ZINC000162471421	525266708	/nfs/dbraw/zinc/26/67/08/525266708.db2.gz	UTJYSUZPEZNUOH-HUUCEWRRSA-N	1	0	364.515	1.225	20	30		FDEDRO
C[NH+]=C(NC[C@H](OC)c1cccc(Cl)c1)N[C@H]1CCc2ncnn2C1	ZINC000126114626	525273111	/nfs/dbraw/zinc/27/31/11/525273111.db2.gz	IEYVAIQWJKVWJQ-GJZGRUSLSA-N	1	0	362.865	1.799	20	30		FDEDRO
CCn1cc(NC(=O)C2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC2)cn1	ZINC000102398697	525285371	/nfs/dbraw/zinc/28/53/71/525285371.db2.gz	HATREJBYPBGXHS-CQSZACIVSA-N	1	0	360.462	1.314	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CNC(=O)c1cccs1	ZINC000117245352	525289972	/nfs/dbraw/zinc/28/99/72/525289972.db2.gz	BOBKWTOHJMYKRA-UHFFFAOYSA-N	1	0	370.478	1.940	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000177512225	525302204	/nfs/dbraw/zinc/30/22/04/525302204.db2.gz	ZGOXGTKXZKOIQQ-HOTGVXAUSA-N	1	0	366.506	1.210	20	30		FDEDRO
N#Cc1ccc(N2C(=O)C[C@H](N3CCC[C@H](CCC(N)=O)C3)C2=O)cc1	ZINC000102937076	525315689	/nfs/dbraw/zinc/31/56/89/525315689.db2.gz	UANGALUIVSFQNC-ZBFHGGJFSA-N	1	0	354.410	1.168	20	30		FDEDRO
Cn1cc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c(=O)n(C)c1=O	ZINC000177716207	525333737	/nfs/dbraw/zinc/33/37/37/525333737.db2.gz	IWHWCQDREJXKRV-UHFFFAOYSA-N	1	0	351.328	1.244	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2cc(S(N)(=O)=O)cc(C)c2C)CC1	ZINC000126875868	525361423	/nfs/dbraw/zinc/36/14/23/525361423.db2.gz	MPXTUDQHJHJDQB-UHFFFAOYSA-N	1	0	365.499	1.721	20	30		FDEDRO
CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)Cc2cc(C#N)ccc2F)CC1	ZINC000163395489	525402131	/nfs/dbraw/zinc/40/21/31/525402131.db2.gz	VEXSLGCMOUNROD-INIZCTEOSA-N	1	0	369.462	1.210	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(NC(C)=O)CC1)C(C)C	ZINC000127282162	525403890	/nfs/dbraw/zinc/40/38/90/525403890.db2.gz	RPZMZTKZICSUPW-SFHVURJKSA-N	1	0	350.507	1.995	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2cccc(NC(C)=O)c2)CC1	ZINC000104711722	525426100	/nfs/dbraw/zinc/42/61/00/525426100.db2.gz	UKBZRPQYKXJNOP-CQSZACIVSA-N	1	0	370.453	1.433	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2CC)cc1	ZINC000118095697	525435590	/nfs/dbraw/zinc/43/55/90/525435590.db2.gz	OJMMBYYXKIVYCJ-INIZCTEOSA-N	1	0	358.442	1.141	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C	ZINC000118097238	525438460	/nfs/dbraw/zinc/43/84/60/525438460.db2.gz	KPHGMIRTXLMIRT-OAHLLOKOSA-N	1	0	358.442	1.884	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC000104800779	525439732	/nfs/dbraw/zinc/43/97/32/525439732.db2.gz	AIPJZGRFLZSYNH-QGZVFWFLSA-N	1	0	357.458	1.287	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C1CC1)[NH+](C)C	ZINC000118102595	525445040	/nfs/dbraw/zinc/44/50/40/525445040.db2.gz	FUUCMZLOLHBHCU-MRXNPFEDSA-N	1	0	358.442	1.740	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](CC)c2cccc(S(N)(=O)=O)c2)CC1	ZINC000104904857	525449883	/nfs/dbraw/zinc/44/98/83/525449883.db2.gz	CWUHWWGHERBESF-KRWDZBQOSA-N	1	0	363.483	1.247	20	30		FDEDRO
CCCN(CC[NH+](C)C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000163813413	525451364	/nfs/dbraw/zinc/45/13/64/525451364.db2.gz	BTJDGUMLVLGEPM-CQSZACIVSA-N	1	0	366.487	1.025	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1	ZINC000118130176	525478817	/nfs/dbraw/zinc/47/88/17/525478817.db2.gz	SUKPWTNLCBVUAJ-CYBMUJFWSA-N	1	0	358.442	1.883	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC([C@H](C)[NH3+])CC2)c1	ZINC000178801580	525484153	/nfs/dbraw/zinc/48/41/53/525484153.db2.gz	HWDCWTGNNNXSPS-ZDUSSCGKSA-N	1	0	351.472	1.350	20	30		FDEDRO
CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000128011328	525492246	/nfs/dbraw/zinc/49/22/46/525492246.db2.gz	KTZYEKCPDMVYKY-UHFFFAOYSA-N	1	0	364.449	1.924	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(C)c(NC(C)=O)c2)c1C#N	ZINC000128126235	525504886	/nfs/dbraw/zinc/50/48/86/525504886.db2.gz	QRPXGLJYVXGYPQ-UHFFFAOYSA-N	1	0	354.414	1.953	20	30		FDEDRO
C[NH+](C)C[C@@](C)(O)CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000178943602	525508075	/nfs/dbraw/zinc/50/80/75/525508075.db2.gz	FQZADJODCKMWQW-INIZCTEOSA-N	1	0	357.376	1.669	20	30		FDEDRO
C[NH+]=C(NC[C@H](C)N1CCc2sccc2C1)N1CCO[C@H](COC)C1	ZINC000179260926	525550098	/nfs/dbraw/zinc/55/00/98/525550098.db2.gz	JSLLQLXDACLEJN-HOCLYGCPSA-N	1	0	366.531	1.417	20	30		FDEDRO
C[NH+]=C(NCc1ccc(-n2ccnc2)c(F)c1)N1CCO[C@@H](COC)C1	ZINC000179265495	525550483	/nfs/dbraw/zinc/55/04/83/525550483.db2.gz	QKFURZYBIJBLAQ-OAHLLOKOSA-N	1	0	361.421	1.434	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)CC1	ZINC000106034608	525553437	/nfs/dbraw/zinc/55/34/37/525553437.db2.gz	VFDQDYFMVBNUDF-LJQANCHMSA-N	1	0	371.481	1.571	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC(C)(C)c2cn(-c3ccccc3)nn2)CC1	ZINC000154634078	525594576	/nfs/dbraw/zinc/59/45/76/525594576.db2.gz	LLWYHOSIIGCSBH-UHFFFAOYSA-N	1	0	351.454	1.964	20	30		FDEDRO
CC[C@@H]1CN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1CCOC	ZINC000106114653	525605624	/nfs/dbraw/zinc/60/56/24/525605624.db2.gz	OSXMCRRDZSHAIY-IEBWSBKVSA-N	1	0	356.470	1.706	20	30		FDEDRO
C[C@@]1(O)CCC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000179660909	525611072	/nfs/dbraw/zinc/61/10/72/525611072.db2.gz	KBTQBGZTDKBTIM-AZUAARDMSA-N	1	0	374.460	1.381	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1	ZINC000154697917	525611743	/nfs/dbraw/zinc/61/17/43/525611743.db2.gz	FZJILHXFYSKHPE-UHFFFAOYSA-N	1	0	359.470	1.972	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CNC(=O)c2ccc(F)c(F)c2)CC1	ZINC000106290759	525688630	/nfs/dbraw/zinc/68/86/30/525688630.db2.gz	UMKKKNOWVNBEQH-UHFFFAOYSA-N	1	0	351.397	1.851	20	30		FDEDRO
C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)N3CCO[C@H](C#N)C3)cc2)C[C@H](C)O1	ZINC000106330799	525693228	/nfs/dbraw/zinc/69/32/28/525693228.db2.gz	GWVVJDGVBHINSJ-JTDSTZFVSA-N	1	0	372.469	1.730	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3nccnc3c2)CC1	ZINC000106349035	525698816	/nfs/dbraw/zinc/69/88/16/525698816.db2.gz	NHJYVTVOGVGPPP-UHFFFAOYSA-N	1	0	353.426	1.725	20	30		FDEDRO
CCc1nn(C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(=O)c(C#N)c1CC	ZINC000106363341	525702894	/nfs/dbraw/zinc/70/28/94/525702894.db2.gz	MRBJTQHVGNUCIS-KRWDZBQOSA-N	1	0	366.465	1.659	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1[C@H](C)C[NH+](C)C[C@H]1C	ZINC000155032280	525720493	/nfs/dbraw/zinc/72/04/93/525720493.db2.gz	VNMPVLNNZJBPMX-CHWSQXEVSA-N	1	0	354.458	1.701	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCc2nccn2C(F)F)cc1OC	ZINC000170912505	525767124	/nfs/dbraw/zinc/76/71/24/525767124.db2.gz	RFRXQONCEBJGIE-UHFFFAOYSA-N	1	0	353.373	1.942	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCC(=O)N(C)Cc2ccccc2)cc1OC	ZINC000170913627	525768199	/nfs/dbraw/zinc/76/81/99/525768199.db2.gz	MTEWDAQFGVSPND-UHFFFAOYSA-N	1	0	370.453	1.767	20	30		FDEDRO
C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000180878427	525770525	/nfs/dbraw/zinc/77/05/25/525770525.db2.gz	XVVQWKUJWXRIRT-NUMWXTGKSA-N	1	0	360.389	1.659	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1	ZINC000181028345	525794114	/nfs/dbraw/zinc/79/41/14/525794114.db2.gz	IUBZGFURZRCQLR-KBPBESRZSA-N	1	0	366.487	1.253	20	30		FDEDRO
C=C(C)C[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1	ZINC000181251216	525827584	/nfs/dbraw/zinc/82/75/84/525827584.db2.gz	MXFMGZYIPBTQCM-UHFFFAOYSA-N	1	0	365.499	1.169	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(C#N)nc1	ZINC000171088332	525832932	/nfs/dbraw/zinc/83/29/32/525832932.db2.gz	BCTJYGBLQUIBQV-UHFFFAOYSA-N	1	0	369.450	1.577	20	30		FDEDRO
C[NH+](C)Cc1cccc(CNC(=O)CNC(=O)c2ccc(C#N)cc2)c1	ZINC000171111090	525853214	/nfs/dbraw/zinc/85/32/14/525853214.db2.gz	GSDCBBFRNPEUEB-UHFFFAOYSA-N	1	0	350.422	1.666	20	30		FDEDRO
C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000171114688	525853455	/nfs/dbraw/zinc/85/34/55/525853455.db2.gz	LXLUNDVSXVAMHX-IBGZPJMESA-N	1	0	364.449	1.577	20	30		FDEDRO
CC(C)(O)C[NH+]1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000171155311	525874589	/nfs/dbraw/zinc/87/45/89/525874589.db2.gz	FTQAJOOHKCLFOE-UHFFFAOYSA-N	1	0	350.850	1.539	20	30		FDEDRO
N#CCOc1ccc(/C=C/C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)cc1	ZINC000131602457	525879372	/nfs/dbraw/zinc/87/93/72/525879372.db2.gz	KPSNLPHVNWQGKO-RUJXFNLJSA-N	1	0	357.454	1.955	20	30		FDEDRO
C[NH+](C)C(C)(C)CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1	ZINC000131632152	525883874	/nfs/dbraw/zinc/88/38/74/525883874.db2.gz	CRTZWHADDCTDRZ-UHFFFAOYSA-N	1	0	351.472	1.834	20	30		FDEDRO
C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)c2ccc(C#N)cn2)CC1	ZINC000107568407	525896263	/nfs/dbraw/zinc/89/62/63/525896263.db2.gz	STGUZFJNGAWCCS-UHFFFAOYSA-N	1	0	371.485	1.509	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000132015597	525928428	/nfs/dbraw/zinc/92/84/28/525928428.db2.gz	KKBAENYKHURNQE-IBGZPJMESA-N	1	0	358.486	1.581	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N(C)[C@H](C)CC#N)cc2)CC1	ZINC000132148810	525940549	/nfs/dbraw/zinc/94/05/49/525940549.db2.gz	GQTJNJWOFJUZSF-MRXNPFEDSA-N	1	0	371.485	1.523	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000181876163	525967109	/nfs/dbraw/zinc/96/71/09/525967109.db2.gz	IGSIJJHWVINMBC-HUUCEWRRSA-N	1	0	354.410	1.389	20	30		FDEDRO
COCCN(CCC#N)C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1	ZINC000132906441	526004688	/nfs/dbraw/zinc/00/46/88/526004688.db2.gz	BCJYLHHLIGLMTN-UHFFFAOYSA-N	1	0	372.469	1.652	20	30		FDEDRO
COc1ccc(-n2nnc(C(=O)N(CCC#N)CCC[NH+](C)C)c2C)cc1	ZINC000171468780	526007100	/nfs/dbraw/zinc/00/71/00/526007100.db2.gz	RBPVFNHQBDHXQR-UHFFFAOYSA-N	1	0	370.457	1.892	20	30		FDEDRO
CCN(CC)c1ccc(/C=[NH+]/C[C@H]2CCN(S(C)(=O)=O)C2)c(O)c1	ZINC000133100588	526021686	/nfs/dbraw/zinc/02/16/86/526021686.db2.gz	FCPHTGZKFFHUAZ-CRRKTRLDSA-N	1	0	353.488	1.939	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)cc2C1=O	ZINC000108783849	526022314	/nfs/dbraw/zinc/02/23/14/526022314.db2.gz	ZYOBGOOPGYVARZ-CYBMUJFWSA-N	1	0	353.422	1.683	20	30		FDEDRO
CCN(CC)c1ccc(/C=[NH+]/C[C@@H]2CCN(S(C)(=O)=O)C2)c(O)c1	ZINC000133100396	526022544	/nfs/dbraw/zinc/02/25/44/526022544.db2.gz	FCPHTGZKFFHUAZ-QCUKBLKESA-N	1	0	353.488	1.939	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(S(C)(=O)=O)nc2)CC1	ZINC000171548141	526030947	/nfs/dbraw/zinc/03/09/47/526030947.db2.gz	BJSOEIYPNHDKNM-UHFFFAOYSA-N	1	0	352.460	1.647	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC1	ZINC000171556061	526034156	/nfs/dbraw/zinc/03/41/56/526034156.db2.gz	ZCULZLOXHGKFCL-QGZVFWFLSA-N	1	0	358.490	1.785	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+]CC3CCS(=O)(=O)CC3)CC2)cc1	ZINC000182078189	526046404	/nfs/dbraw/zinc/04/64/04/526046404.db2.gz	WKBALVNKJADRDH-UHFFFAOYSA-N	1	0	361.511	1.937	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000171701101	526080649	/nfs/dbraw/zinc/08/06/49/526080649.db2.gz	APFJZMCMNIKYKO-GOSISDBHSA-N	1	0	370.501	1.905	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CCc2c(C)nc3nc(N)nn3c2C)CC1	ZINC000171719846	526091238	/nfs/dbraw/zinc/09/12/38/526091238.db2.gz	MSPVPLJNJSBECP-UHFFFAOYSA-N	1	0	357.462	1.023	20	30		FDEDRO
C[NH+]=C(NCc1c(C)noc1C)NCc1ccc(S(C)(=O)=O)cc1	ZINC000156352299	526117147	/nfs/dbraw/zinc/11/71/47/526117147.db2.gz	WPXOQMNYSWIJAS-UHFFFAOYSA-N	1	0	350.444	1.560	20	30		FDEDRO
CC1CC[NH+](CCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1	ZINC000120650102	526137782	/nfs/dbraw/zinc/13/77/82/526137782.db2.gz	IOFMEKCWNGWJJI-UHFFFAOYSA-N	1	0	366.443	1.867	20	30		FDEDRO
C[NH+]1CCN(CCCCNS(=O)(=O)c2ccc(F)cc2C#N)CC1	ZINC000156460091	526141041	/nfs/dbraw/zinc/14/10/41/526141041.db2.gz	JTYOZNMDBOBTHX-UHFFFAOYSA-N	1	0	354.451	1.003	20	30		FDEDRO
C[C@H](CNS(=O)(=O)c1ccc(C#N)cc1Cl)CN1CC[NH+](C)CC1	ZINC000183744300	536041589	/nfs/dbraw/zinc/04/15/89/536041589.db2.gz	VSUHQAZXHIFUKN-CYBMUJFWSA-N	1	0	370.906	1.373	20	30		FDEDRO
Cc1nccc(N2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)n1	ZINC000183787450	536049066	/nfs/dbraw/zinc/04/90/66/536049066.db2.gz	UWXMFUSUFSAEOK-UHFFFAOYSA-N	1	0	350.426	1.808	20	30		FDEDRO
N#CC1(CS(=O)(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1	ZINC000183919393	536068056	/nfs/dbraw/zinc/06/80/56/536068056.db2.gz	URNRKPXBCBHFJC-UHFFFAOYSA-N	1	0	363.483	1.366	20	30		FDEDRO
C[C@@](O)(CNC(=[NH2+])NCCCN1CCOCC1)c1cccc(Cl)c1	ZINC000184878380	536189346	/nfs/dbraw/zinc/18/93/46/536189346.db2.gz	RTNJYQPZVLIGLP-QGZVFWFLSA-N	1	0	354.882	1.174	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1	ZINC000185026135	536196190	/nfs/dbraw/zinc/19/61/90/536196190.db2.gz	XOGOTFJLTQAUMW-UHFFFAOYSA-N	1	0	369.421	1.821	20	30		FDEDRO
C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000185335003	536205819	/nfs/dbraw/zinc/20/58/19/536205819.db2.gz	ADNGVGBWXSRNDQ-CYBMUJFWSA-N	1	0	354.451	1.002	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@]2(C)C(N)=O)c(OC)c1	ZINC000185893829	536220397	/nfs/dbraw/zinc/22/03/97/536220397.db2.gz	WGUCQVDURFZWNM-JXFKEZNVSA-N	1	0	362.470	1.893	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@]2(C)C(N)=O)c(OC)c1	ZINC000185893813	536220427	/nfs/dbraw/zinc/22/04/27/536220427.db2.gz	WGUCQVDURFZWNM-OXJNMPFZSA-N	1	0	362.470	1.893	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)cc1	ZINC000186529682	536236506	/nfs/dbraw/zinc/23/65/06/536236506.db2.gz	VEGIKSTXRSRFNW-HNNXBMFYSA-N	1	0	363.483	1.508	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc3c(c2)CCN3C(=O)COC)CC1	ZINC000187456010	536266776	/nfs/dbraw/zinc/26/67/76/536266776.db2.gz	QERXHWAEHLQITJ-UHFFFAOYSA-N	1	0	355.438	1.506	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1	ZINC000188286668	536288776	/nfs/dbraw/zinc/28/87/76/536288776.db2.gz	ZFPGPHDDNHPNHR-HXUWFJFHSA-N	1	0	358.486	1.317	20	30		FDEDRO
CC(C)CO[C@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1	ZINC000246219202	536902896	/nfs/dbraw/zinc/90/28/96/536902896.db2.gz	ZJDAXTKMZLDOJH-ZWKOTPCHSA-N	1	0	350.507	1.426	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN([C@@H](C(=O)OC)c3cccc(C#N)c3)C2)CC1	ZINC000246256303	536911280	/nfs/dbraw/zinc/91/12/80/536911280.db2.gz	FWEQHYIAAXGEMA-RBUKOAKNSA-N	1	0	356.470	1.484	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1	ZINC000188691721	536927678	/nfs/dbraw/zinc/92/76/78/536927678.db2.gz	RPPNFMSEKUDYSL-SFHVURJKSA-N	1	0	374.460	1.876	20	30		FDEDRO
C=CCNC(=O)C[NH2+]Cc1ccc(Br)cc1N1CCOCC1	ZINC000188760889	536943740	/nfs/dbraw/zinc/94/37/40/536943740.db2.gz	CRVSFWZCQQISON-UHFFFAOYSA-N	1	0	368.275	1.678	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)CCN1CC(C)(C)O	ZINC000188801857	536951883	/nfs/dbraw/zinc/95/18/83/536951883.db2.gz	QRQVAXYQEIUFJV-LBPRGKRZSA-N	1	0	355.435	1.163	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1	ZINC000188956556	536976219	/nfs/dbraw/zinc/97/62/19/536976219.db2.gz	GHDCRBYDDYBRMZ-UHFFFAOYSA-N	1	0	371.485	1.290	20	30		FDEDRO
C[C@@H](NC(=[NH2+])NCC(=O)N1CCOCC1)c1ccc(Cl)cc1Cl	ZINC000263121912	536977657	/nfs/dbraw/zinc/97/76/57/536977657.db2.gz	DOKUWLLSNOQERO-SNVBAGLBSA-N	1	0	359.257	1.818	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N3CC[N@@H+](C)C[C@@H]3C(C)C)CC2)o1	ZINC000189083257	536994496	/nfs/dbraw/zinc/99/44/96/536994496.db2.gz	DQLQHBNJIRTQMX-QGZVFWFLSA-N	1	0	359.474	1.870	20	30		FDEDRO
C[NH+]=C(NCCNS(=O)(=O)c1ccccc1)N1CCc2ccccc2C1	ZINC000263265460	537004847	/nfs/dbraw/zinc/00/48/47/537004847.db2.gz	VAPXOGWUSBMGAN-UHFFFAOYSA-N	1	0	372.494	1.599	20	30		FDEDRO
CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000246918383	537050807	/nfs/dbraw/zinc/05/08/07/537050807.db2.gz	GHDMGCAKFPSHDP-KGLIPLIRSA-N	1	0	366.487	1.072	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CC(=O)N(C)C1(C#N)CCCCC1	ZINC000189471768	537052927	/nfs/dbraw/zinc/05/29/27/537052927.db2.gz	MGVRLTAUVRLMQP-MRXNPFEDSA-N	1	0	350.507	1.448	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)CN1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1	ZINC000246958455	537058456	/nfs/dbraw/zinc/05/84/56/537058456.db2.gz	FZFDTOYDNCQPDD-GUDVDZBRSA-N	1	0	363.550	1.485	20	30		FDEDRO
CC(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000263689303	537066391	/nfs/dbraw/zinc/06/63/91/537066391.db2.gz	GSRAEYANGWMIJV-ROUUACIJSA-N	1	0	359.470	1.782	20	30		FDEDRO
C[C@@H](O)C[N@@H+]1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)[C@H](C)C1	ZINC000189564753	537067239	/nfs/dbraw/zinc/06/72/39/537067239.db2.gz	FGNFHTZCUSDDHS-CHWSQXEVSA-N	1	0	350.850	1.537	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)c1	ZINC000247041639	537073300	/nfs/dbraw/zinc/07/33/00/537073300.db2.gz	AHCXJDVKIWQCJL-LPHOPBHVSA-N	1	0	371.481	1.860	20	30		FDEDRO
COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H](C)N1CC[NH+](C)CC1	ZINC000263730627	537081466	/nfs/dbraw/zinc/08/14/66/537081466.db2.gz	GZWPRZBRQLZESL-MRXNPFEDSA-N	1	0	374.485	1.478	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(C#N)c2)[C@@H](C)C1	ZINC000247137612	537086032	/nfs/dbraw/zinc/08/60/32/537086032.db2.gz	HOIIGYQAYKWGBO-YJBOKZPZSA-N	1	0	372.469	1.750	20	30		FDEDRO
Cc1oc(NC(=O)[C@H](C)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c(C#N)c1C	ZINC000189901644	537112387	/nfs/dbraw/zinc/11/23/87/537112387.db2.gz	ZTNOXWYJNQAARV-OCCSQVGLSA-N	1	0	362.474	1.872	20	30		FDEDRO
Cc1oc(NC(=O)[C@@H](C)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c(C#N)c1C	ZINC000189901627	537112467	/nfs/dbraw/zinc/11/24/67/537112467.db2.gz	ZTNOXWYJNQAARV-TZMCWYRMSA-N	1	0	362.474	1.872	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1nnc(C(C)(C)C)s1	ZINC000189998797	537125137	/nfs/dbraw/zinc/12/51/37/537125137.db2.gz	STQCOZUWPJFYHI-UHFFFAOYSA-N	1	0	366.491	1.468	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NCc1nnc2c(Cl)cc(C(F)(F)F)cn12	ZINC000264054379	537136535	/nfs/dbraw/zinc/13/65/35/537136535.db2.gz	AGCBVHNNAFCTLT-SSDOTTSWSA-N	1	0	364.759	1.841	20	30		FDEDRO
COc1ccccc1[C@@H](CNC(=O)N1CCO[C@H](C#N)C1)[NH+]1CCCC1	ZINC000264422491	537144721	/nfs/dbraw/zinc/14/47/21/537144721.db2.gz	UWHCATJDTCZFEA-NVXWUHKLSA-N	1	0	358.442	1.766	20	30		FDEDRO
CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC000264963178	537150815	/nfs/dbraw/zinc/15/08/15/537150815.db2.gz	BFBDSZVUFWCCBH-UPTRSRDDSA-N	1	0	363.462	1.077	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@@H](O)C1CCOCC1)C(C)C	ZINC000265574800	537158571	/nfs/dbraw/zinc/15/85/71/537158571.db2.gz	PIXQVGBOCRSMLK-ZWKOTPCHSA-N	1	0	353.507	1.772	20	30		FDEDRO
C#C[C@H](C)NC(=O)C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000190285918	537161560	/nfs/dbraw/zinc/16/15/60/537161560.db2.gz	OAUHIOAABYRBBA-DOTOQJQBSA-N	1	0	365.437	1.407	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000191535621	537207846	/nfs/dbraw/zinc/20/78/46/537207846.db2.gz	YKRFJGYZSGNJDB-LJQANCHMSA-N	1	0	368.481	1.896	20	30		FDEDRO
N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1	ZINC000248928179	537221671	/nfs/dbraw/zinc/22/16/71/537221671.db2.gz	XLTBGMWGNLPOEW-KZNAEPCWSA-N	1	0	370.501	1.954	20	30		FDEDRO
C#C[C@@H](C)NC(=O)C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1	ZINC000192187611	537221879	/nfs/dbraw/zinc/22/18/79/537221879.db2.gz	GRQHTLWTXZPWLT-MRXNPFEDSA-N	1	0	356.470	1.602	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3C[N@H+](C(C)C)C[C@H]3C)CC2)o1	ZINC000249085884	537227931	/nfs/dbraw/zinc/22/79/31/537227931.db2.gz	IURLQQYGMYWPQZ-CXAGYDPISA-N	1	0	359.474	1.916	20	30		FDEDRO
N#C[C@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000192763892	537232679	/nfs/dbraw/zinc/23/26/79/537232679.db2.gz	RNENDVIRQHTAKM-QWHCGFSZSA-N	1	0	352.416	1.545	20	30		FDEDRO
C[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1	ZINC000192847177	537234497	/nfs/dbraw/zinc/23/44/97/537234497.db2.gz	YZAHIBFRXYIOIF-UHFFFAOYSA-N	1	0	371.485	1.180	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)C(=O)N(C)CCC#N	ZINC000192947684	537236631	/nfs/dbraw/zinc/23/66/31/537236631.db2.gz	LKBLQQTVNCWSRF-CABCVRRESA-N	1	0	350.488	1.472	20	30		FDEDRO
CC(C)(C)[C@@H](CO)[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000193098031	537240067	/nfs/dbraw/zinc/24/00/67/537240067.db2.gz	RTUYMESUZQDURY-GOEBONIOSA-N	1	0	364.515	1.454	20	30		FDEDRO
C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC[N@@H+]1C	ZINC000193432188	537247359	/nfs/dbraw/zinc/24/73/59/537247359.db2.gz	CPVOIKFHDDGWDX-HIFRSBDPSA-N	1	0	359.474	1.994	20	30		FDEDRO
C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC[N@@H+]1C	ZINC000193432175	537247387	/nfs/dbraw/zinc/24/73/87/537247387.db2.gz	CPVOIKFHDDGWDX-DZGCQCFKSA-N	1	0	359.474	1.994	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCOc2ccccc21)N1CC[C@@H](CN2CCOCC2)C1	ZINC000262775438	537254514	/nfs/dbraw/zinc/25/45/14/537254514.db2.gz	JDECMTLEDHTLBJ-ROUUACIJSA-N	1	0	372.513	1.782	20	30		FDEDRO
N#Cc1ccc2c(c1)N(C(=O)C(=O)N[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2	ZINC000270158407	537288605	/nfs/dbraw/zinc/28/86/05/537288605.db2.gz	HYUSANGQTOISHB-LJQANCHMSA-N	1	0	374.444	1.838	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1	ZINC000272511641	537291161	/nfs/dbraw/zinc/29/11/61/537291161.db2.gz	OVPXZHKTHADASO-HZSPNIEDSA-N	1	0	368.478	1.622	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+](C)C[C@@H](C)C(=O)OC)c(OC)c1	ZINC000298733347	537292109	/nfs/dbraw/zinc/29/21/09/537292109.db2.gz	PLNLGRCJPOXOKT-GDBMZVCRSA-N	1	0	351.443	1.904	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C	ZINC000194589235	537298867	/nfs/dbraw/zinc/29/88/67/537298867.db2.gz	NHAXUANNVSNQDM-UHFFFAOYSA-N	1	0	372.450	1.828	20	30		FDEDRO
C=CCn1c(-c2ccccc2)nnc1N1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000282395653	537324497	/nfs/dbraw/zinc/32/44/97/537324497.db2.gz	WEXBIMNZVFUJKN-UHFFFAOYSA-N	1	0	368.485	1.731	20	30		FDEDRO
C=C(C)Cn1c(C2CC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000293088805	537334430	/nfs/dbraw/zinc/33/44/30/537334430.db2.gz	TUPWBHIMYUEOLG-MRXNPFEDSA-N	1	0	358.490	1.474	20	30		FDEDRO
Cc1nc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)ccc1C#N	ZINC000270531324	537346522	/nfs/dbraw/zinc/34/65/22/537346522.db2.gz	BCMWWNNHSVTUSP-RBUKOAKNSA-N	1	0	364.449	1.875	20	30		FDEDRO
CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@@]3(C#N)CC34CCCC4)CC2)C1	ZINC000333546458	537349291	/nfs/dbraw/zinc/34/92/91/537349291.db2.gz	LWGLWMRIOWEGCK-NQIIRXRSSA-N	1	0	374.529	1.714	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N(CCC)CCC[NH+](C)C	ZINC000276243191	537360200	/nfs/dbraw/zinc/36/02/00/537360200.db2.gz	LDNGGINZLBBDFC-UHFFFAOYSA-N	1	0	363.433	1.967	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c(F)c1	ZINC000283295909	537366706	/nfs/dbraw/zinc/36/67/06/537366706.db2.gz	ONSIAZYUDZMLCA-AWEZNQCLSA-N	1	0	361.392	1.829	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CCOC(C)(C)C1)C(C)C	ZINC000283897977	537389820	/nfs/dbraw/zinc/38/98/20/537389820.db2.gz	FRQDJEKNYSLMBI-IAGOWNOFSA-N	1	0	365.518	1.875	20	30		FDEDRO
C=CCc1cc(C(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)cc(OC)c1OC	ZINC000364936457	537402116	/nfs/dbraw/zinc/40/21/16/537402116.db2.gz	SKHBUVBNNYCWBL-OAHLLOKOSA-N	1	0	362.470	1.961	20	30		FDEDRO
CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C1	ZINC000271161025	537409486	/nfs/dbraw/zinc/40/94/86/537409486.db2.gz	SCSSIMYECGKUAX-OAHLLOKOSA-N	1	0	360.462	1.234	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCN(c3ccccc3)C2)CC1	ZINC000286330114	537433387	/nfs/dbraw/zinc/43/33/87/537433387.db2.gz	AOEKEWLVCKCBBC-GOSISDBHSA-N	1	0	370.497	1.538	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(CC)C[C@@H]2C)cc1	ZINC000287830120	537445601	/nfs/dbraw/zinc/44/56/01/537445601.db2.gz	LGPPBUGXHAYACM-AWEZNQCLSA-N	1	0	358.442	1.094	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(-c2ccco2)nn1C(C)C	ZINC000293453897	537466874	/nfs/dbraw/zinc/46/68/74/537466874.db2.gz	SSFZKOKCWLDUGR-UHFFFAOYSA-N	1	0	371.441	1.734	20	30		FDEDRO
C[NH+](C)C1CCN(CCNS(=O)(=O)c2ccc(C#N)c(F)c2)CC1	ZINC000293468999	537475409	/nfs/dbraw/zinc/47/54/09/537475409.db2.gz	PZNABAUCHVAKJK-UHFFFAOYSA-N	1	0	354.451	1.002	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H](CCO)c2ccccc2)CC1	ZINC000271695349	537477503	/nfs/dbraw/zinc/47/75/03/537477503.db2.gz	RQCGMXVRXYARIY-MOPGFXCFSA-N	1	0	358.486	1.392	20	30		FDEDRO
CCOC(=O)c1cnn(C)c1NC(=O)C[NH2+][C@H](C)c1ccc(C#N)cc1	ZINC000271715170	537480714	/nfs/dbraw/zinc/48/07/14/537480714.db2.gz	WMTIXLLDLYJKSW-GFCCVEGCSA-N	1	0	355.398	1.758	20	30		FDEDRO
COc1cc(F)c(F)cc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000290947250	537486557	/nfs/dbraw/zinc/48/65/57/537486557.db2.gz	ATQGFYFQJDPQGJ-UHFFFAOYSA-N	1	0	368.384	1.606	20	30		FDEDRO
C=CCS(=O)(=O)CCN[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1	ZINC000274381798	537525238	/nfs/dbraw/zinc/52/52/38/537525238.db2.gz	MUIFZFQBVMCAGL-SJORKVTESA-N	1	0	372.918	1.902	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCc2c(F)cccc2F)CC1	ZINC000284773606	537526207	/nfs/dbraw/zinc/52/62/07/537526207.db2.gz	UTEWPTKYZKLUKZ-UHFFFAOYSA-N	1	0	365.424	1.780	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2cccc(C(=O)N3CCOCC3)c2)CC1	ZINC000299273015	537530181	/nfs/dbraw/zinc/53/01/81/537530181.db2.gz	KARLFGCOYLRPAN-UHFFFAOYSA-N	1	0	369.465	1.120	20	30		FDEDRO
C=CCC[N@@H+](C)CC(=O)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O	ZINC000276500055	537553171	/nfs/dbraw/zinc/55/31/71/537553171.db2.gz	WCOMKZAYJFIJGU-GOSISDBHSA-N	1	0	360.414	1.001	20	30		FDEDRO
C[NH+]1CCC(NC(=O)C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC1	ZINC000284829626	537587992	/nfs/dbraw/zinc/58/79/92/537587992.db2.gz	MLMJDHOGSAADCD-UHFFFAOYSA-N	1	0	370.453	1.138	20	30		FDEDRO
CCc1nc(CN2CCC(CNC(=[NH2+])N3CCOCC3)CC2)cs1	ZINC000304752803	537598187	/nfs/dbraw/zinc/59/81/87/537598187.db2.gz	KQLTVDZRPGIHEL-UHFFFAOYSA-N	1	0	351.520	1.564	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@](C)(C[NH3+])C(C)C)ccc1F	ZINC000236834955	537601173	/nfs/dbraw/zinc/60/11/73/537601173.db2.gz	DPWDWUIVCOJSOD-MRXNPFEDSA-N	1	0	357.451	1.393	20	30		FDEDRO
C[NH2+]C[C@H](C)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1	ZINC000237082629	537610957	/nfs/dbraw/zinc/61/09/57/537610957.db2.gz	OPSHEESCJXXRNU-IBPDABBASA-N	1	0	352.460	1.293	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c1	ZINC000237426086	537628403	/nfs/dbraw/zinc/62/84/03/537628403.db2.gz	NWQMQIRMQDFIGK-ZFWWWQNUSA-N	1	0	351.472	1.350	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc1	ZINC000237527292	537631943	/nfs/dbraw/zinc/63/19/43/537631943.db2.gz	ZIBLFTULYNGSLZ-CZUORRHYSA-N	1	0	351.472	1.350	20	30		FDEDRO
C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000291566535	537632217	/nfs/dbraw/zinc/63/22/17/537632217.db2.gz	DDIMRNFBZCNINY-RDJZCZTQSA-N	1	0	357.458	1.990	20	30		FDEDRO
CCc1nc(CC(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)cs1	ZINC000329174886	537635454	/nfs/dbraw/zinc/63/54/54/537635454.db2.gz	LXEXNGCBVCCSLH-AWEZNQCLSA-N	1	0	350.488	1.900	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccc4c(c3)OCC(=O)N4)CC2)C1=O	ZINC000329177994	537635761	/nfs/dbraw/zinc/63/57/61/537635761.db2.gz	NANBEBALCUUYGK-OAHLLOKOSA-N	1	0	372.425	1.667	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H](C(=O)N2CCCC2)C1	ZINC000329503102	537637443	/nfs/dbraw/zinc/63/74/43/537637443.db2.gz	YZIJNJYHLGVWTH-DLBZAZTESA-N	1	0	366.506	1.346	20	30		FDEDRO
Cn1cc([C@@H]2CCN(C(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)C2)cn1	ZINC000329608608	537640701	/nfs/dbraw/zinc/64/07/01/537640701.db2.gz	QWFXRVGPNPKBDE-HZPDHXFCSA-N	1	0	361.490	1.624	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CCC(=O)N1CCN(c2ccccc2)CC1	ZINC000294022508	537643456	/nfs/dbraw/zinc/64/34/56/537643456.db2.gz	QSIMPBLBTJYFFG-UHFFFAOYSA-N	1	0	370.497	1.187	20	30		FDEDRO
CN1CCO[C@H]2CN(C(=O)Nc3cccc(N4CCCCC4=O)c3)C[C@H]21	ZINC000329915236	537645131	/nfs/dbraw/zinc/64/51/31/537645131.db2.gz	DAFMBZOWAZDWKM-SJORKVTESA-N	1	0	358.442	1.764	20	30		FDEDRO
CN1CCC(CNC(=O)[C@@H]2CCCN2C(N)=O)([NH+]2CCCCC2)CC1	ZINC000330028323	537650084	/nfs/dbraw/zinc/65/00/84/537650084.db2.gz	OICGAVZMJBBBGD-HNNXBMFYSA-N	1	0	351.495	1.850	20	30		FDEDRO
CCc1nc(C)c(CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)o1	ZINC000291875978	537686577	/nfs/dbraw/zinc/68/65/77/537686577.db2.gz	HWXXKLKOIUOJGW-CYBMUJFWSA-N	1	0	363.462	1.926	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000285342066	537688979	/nfs/dbraw/zinc/68/89/79/537688979.db2.gz	UWRNFLRGHBQVIR-HNNXBMFYSA-N	1	0	357.454	1.468	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CCN(Cc3cc(=O)n4ccsc4n3)C2)nc1	ZINC000292168795	537712708	/nfs/dbraw/zinc/71/27/08/537712708.db2.gz	LQKULLCWRGEIHQ-AWEZNQCLSA-N	1	0	353.407	1.676	20	30		FDEDRO
C[N@H+](CCNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)C1CCCC1	ZINC000292233977	537719868	/nfs/dbraw/zinc/71/98/68/537719868.db2.gz	JAVBRMCKAUXZTI-KRWDZBQOSA-N	1	0	357.458	1.990	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H](C)[NH+](C)C)cc1	ZINC000298604710	537724907	/nfs/dbraw/zinc/72/49/07/537724907.db2.gz	KKUVNQCAVLHMLX-ZDUSSCGKSA-N	1	0	354.476	1.565	20	30		FDEDRO
CN(C[C@H]1CCC[N@H+](Cc2ccc(OCC#N)cc2)C1)S(C)(=O)=O	ZINC000285750876	537755670	/nfs/dbraw/zinc/75/56/70/537755670.db2.gz	WPAUAOXENKFVDA-MRXNPFEDSA-N	1	0	351.472	1.692	20	30		FDEDRO
COC(=O)C[C@@]1([NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)CCOC1	ZINC000411547133	537768711	/nfs/dbraw/zinc/76/87/11/537768711.db2.gz	UPWJIOGZQYCYOP-KRWDZBQOSA-N	1	0	365.817	1.852	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N1CCC[C@@H](C[NH+]2CCN(C)CC2)C1	ZINC000371266274	537796119	/nfs/dbraw/zinc/79/61/19/537796119.db2.gz	KUZPUIIDPVDAFS-ICSRJNTNSA-N	1	0	370.497	1.732	20	30		FDEDRO
Cc1nc2n(c1CN1CC[NH+](CCC(=O)N(C)CCC#N)CC1)CCCC2	ZINC000371814713	537833113	/nfs/dbraw/zinc/83/31/13/537833113.db2.gz	GCRILQWACJQDCS-UHFFFAOYSA-N	1	0	372.517	1.408	20	30		FDEDRO
CC[NH+](CC)C[C@H]1CCCC[C@H]1NS(=O)(=O)N(CCC#N)CCOC	ZINC000409485323	537851895	/nfs/dbraw/zinc/85/18/95/537851895.db2.gz	NYGJOVNLEQBYLJ-IAGOWNOFSA-N	1	0	374.551	1.583	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000409553968	537859896	/nfs/dbraw/zinc/85/98/96/537859896.db2.gz	OKXCQAYBPMADHE-RDJZCZTQSA-N	1	0	350.488	1.577	20	30		FDEDRO
N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H]3C(=O)NC[C@H]31)CCC2	ZINC000366915155	537887960	/nfs/dbraw/zinc/88/79/60/537887960.db2.gz	REELCCLDURWFGB-TZMCWYRMSA-N	1	0	358.467	1.647	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCn2cc(C)nc21	ZINC000372246730	537905666	/nfs/dbraw/zinc/90/56/66/537905666.db2.gz	GWEGPBYJSQSUAL-HNNXBMFYSA-N	1	0	366.421	1.836	20	30		FDEDRO
CC1(C[NH+]2CCOCC2)CCN(CC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000376806660	537912547	/nfs/dbraw/zinc/91/25/47/537912547.db2.gz	LPWFRCFMRARGEE-UHFFFAOYSA-N	1	0	356.470	1.931	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](CO)[C@H]2CCCOC2)c1C	ZINC000411994190	537927759	/nfs/dbraw/zinc/92/77/59/537927759.db2.gz	MXLIEGUECAYERM-ZWKOTPCHSA-N	1	0	359.470	1.927	20	30		FDEDRO
C=CC[C@@H](CC)NC(=O)C(=O)N(Cc1scnc1C)C[C@@H]1CC[NH2+]C1	ZINC000419137543	537953792	/nfs/dbraw/zinc/95/37/92/537953792.db2.gz	PHWFWKLZMAMDIS-HUUCEWRRSA-N	1	0	364.515	1.861	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1	ZINC000377117568	537956287	/nfs/dbraw/zinc/95/62/87/537956287.db2.gz	AMRDZKRTYWCGBP-DAXOMENPSA-N	1	0	354.451	1.497	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1	ZINC000419157619	537964269	/nfs/dbraw/zinc/96/42/69/537964269.db2.gz	VJVSOXHMSAOGJF-BHYGNILZSA-N	1	0	351.491	1.592	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)CC1	ZINC000377481988	537964490	/nfs/dbraw/zinc/96/44/90/537964490.db2.gz	RBIZIECDIJVNCS-UHFFFAOYSA-N	1	0	374.529	1.955	20	30		FDEDRO
CC[NH+](CC)CCNC(=O)c1ccc(OCc2ncc(C#N)cn2)cc1	ZINC000416902651	537965458	/nfs/dbraw/zinc/96/54/58/537965458.db2.gz	BNVVRMYJFNKDBZ-UHFFFAOYSA-N	1	0	353.426	1.999	20	30		FDEDRO
C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)C1	ZINC000415294597	537992520	/nfs/dbraw/zinc/99/25/20/537992520.db2.gz	GACRRUPRUHBTCW-OAHLLOKOSA-N	1	0	366.425	1.120	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1	ZINC000369040703	537997042	/nfs/dbraw/zinc/99/70/42/537997042.db2.gz	GXTLOHAWQPDGFW-SJORKVTESA-N	1	0	358.442	1.587	20	30		FDEDRO
Cc1oc(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)c(C#N)c1C	ZINC000372693276	538003215	/nfs/dbraw/zinc/00/32/15/538003215.db2.gz	IZCDYKWQRIIZTR-IRXDYDNUSA-N	1	0	360.458	1.940	20	30		FDEDRO
CCc1nc(CN2CCC[C@@H]([N@@H+](C)CC(=O)N(CC)CCC#N)C2)no1	ZINC000369235343	538006656	/nfs/dbraw/zinc/00/66/56/538006656.db2.gz	IPLOFDUCVIETSI-OAHLLOKOSA-N	1	0	362.478	1.290	20	30		FDEDRO
N#C[C@H]1CN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CCN1C1CC1	ZINC000369231332	538007482	/nfs/dbraw/zinc/00/74/82/538007482.db2.gz	LRAHZXGLOMGXQT-FQEVSTJZSA-N	1	0	367.497	1.817	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2ccc(OC)c(S(C)(=O)=O)c2)CC1	ZINC000417335783	538030991	/nfs/dbraw/zinc/03/09/91/538030991.db2.gz	IXRJWAWDHHEMGX-UHFFFAOYSA-N	1	0	367.471	1.871	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000417570194	538051381	/nfs/dbraw/zinc/05/13/81/538051381.db2.gz	DAKXYUFAIBKZEX-FRFSOERESA-N	1	0	359.449	1.963	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000369861830	538071207	/nfs/dbraw/zinc/07/12/07/538071207.db2.gz	LJVPNLYTBZMBLU-QGZVFWFLSA-N	1	0	356.474	1.706	20	30		FDEDRO
C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)NCCOc2ccc(C#N)cc2)cc1	ZINC000419459716	538073460	/nfs/dbraw/zinc/07/34/60/538073460.db2.gz	DMADKVZHRUIUGK-CQSZACIVSA-N	1	0	366.421	1.389	20	30		FDEDRO
C[NH2+]CCC1CCN(C(=O)C(=O)N[C@@H](CCC#N)c2ccccc2)CC1	ZINC000419483135	538076319	/nfs/dbraw/zinc/07/63/19/538076319.db2.gz	ZEMJJIBNAOTERS-SFHVURJKSA-N	1	0	356.470	1.996	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1	ZINC000419871341	538125384	/nfs/dbraw/zinc/12/53/84/538125384.db2.gz	CJFBLYIFDSQDKM-QZTJIDSGSA-N	1	0	359.470	1.682	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C	ZINC000422100639	538156907	/nfs/dbraw/zinc/15/69/07/538156907.db2.gz	LITRZPZMCBYHSW-KRWDZBQOSA-N	1	0	359.470	1.762	20	30		FDEDRO
C=C(CC)CNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-]	ZINC000450915057	538167281	/nfs/dbraw/zinc/16/72/81/538167281.db2.gz	RBRQBGFBWLYIIY-UHFFFAOYSA-N	1	0	356.448	1.813	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+]	ZINC000420018807	538189937	/nfs/dbraw/zinc/18/99/37/538189937.db2.gz	QIYISWMYBCKGKB-ZWKOTPCHSA-N	1	0	356.470	1.929	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1	ZINC000424070534	538228782	/nfs/dbraw/zinc/22/87/82/538228782.db2.gz	SHHWTHICOROWFS-HZPDHXFCSA-N	1	0	359.430	1.947	20	30		FDEDRO
CN1CC[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1=O	ZINC000424195661	538252198	/nfs/dbraw/zinc/25/21/98/538252198.db2.gz	ZIVDWRBVLPYTPH-OAHLLOKOSA-N	1	0	352.442	1.817	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1	ZINC000424294114	538272738	/nfs/dbraw/zinc/27/27/38/538272738.db2.gz	OQNNCONGMOUAIO-JCGIZDLHSA-N	1	0	373.526	1.811	20	30		FDEDRO
Cc1cc(=NC(=O)C(=O)Nc2ccc(C[NH+](C)C)cc2)[nH]n1CCC#N	ZINC000446663361	538307142	/nfs/dbraw/zinc/30/71/42/538307142.db2.gz	HIZJNEVNGNRJRD-UHFFFAOYSA-N	1	0	354.414	1.744	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@](C)(C(=O)OC)c1ccc(F)cc1	ZINC000447023915	538342511	/nfs/dbraw/zinc/34/25/11/538342511.db2.gz	RKVZICMEUDTRIW-KPZWWZAWSA-N	1	0	365.405	1.246	20	30		FDEDRO
N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1	ZINC000442862991	538381234	/nfs/dbraw/zinc/38/12/34/538381234.db2.gz	WKJUNHNBJNCTTM-IKGGRYGDSA-N	1	0	356.474	1.564	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)C2CC2)cc1	ZINC000423577020	538401112	/nfs/dbraw/zinc/40/11/12/538401112.db2.gz	ZPUBTVCIRZMJLH-IAGOWNOFSA-N	1	0	352.438	1.117	20	30		FDEDRO
N#Cc1ccc([C@H]([NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)C(N)=O)cc1	ZINC000435777436	538409184	/nfs/dbraw/zinc/40/91/84/538409184.db2.gz	IPUIKWOMZMAIDF-SQNIBIBYSA-N	1	0	354.454	1.855	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1	ZINC000460069335	538465225	/nfs/dbraw/zinc/46/52/25/538465225.db2.gz	RQRKRAMUFOMTBZ-MSOLQXFVSA-N	1	0	352.438	1.235	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1	ZINC000453915977	538471016	/nfs/dbraw/zinc/47/10/16/538471016.db2.gz	AFRFMKZZPCOTQP-MSOLQXFVSA-N	1	0	357.454	1.723	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+](C)[C@]2(CO)CCOC2)c(OC)c1	ZINC000461366636	538512058	/nfs/dbraw/zinc/51/20/58/538512058.db2.gz	PABNYEMJPXTQMK-APWZRJJASA-N	1	0	351.443	1.247	20	30		FDEDRO
C=CC[C@H](CC)NC(=O)N1CCN([C@@H](C)C(=O)NCCCOC)CC1	ZINC000466406396	538538387	/nfs/dbraw/zinc/53/83/87/538538387.db2.gz	LLZXRIOIWVKCJM-HOTGVXAUSA-N	1	0	354.495	1.210	20	30		FDEDRO
C=CC[N@@H+](C[C@H](C)CS(C)(=O)=O)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000466957441	538583636	/nfs/dbraw/zinc/58/36/36/538583636.db2.gz	HJLKZIYXRUJEAT-LSDHHAIUSA-N	1	0	363.487	1.892	20	30		FDEDRO
CC[C@@]1(O)CC[N@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000495233514	538650482	/nfs/dbraw/zinc/65/04/82/538650482.db2.gz	PKKBEWQIJGEKRB-UYAOXDASSA-N	1	0	374.460	1.381	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2C)C1	ZINC000473692539	538792365	/nfs/dbraw/zinc/79/23/65/538792365.db2.gz	AATOYOXZUJHWFN-QGZVFWFLSA-N	1	0	372.469	1.765	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)c1	ZINC000479664791	538824605	/nfs/dbraw/zinc/82/46/05/538824605.db2.gz	JEPHIXLZLRMAHR-UHFFFAOYSA-N	1	0	353.430	1.009	20	30		FDEDRO
N#CC1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000561061631	545670759	/nfs/dbraw/zinc/67/07/59/545670759.db2.gz	IQFSYAHXCRNKMP-GOSISDBHSA-N	1	0	354.454	1.387	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c1C#N	ZINC000561469431	545866210	/nfs/dbraw/zinc/86/62/10/545866210.db2.gz	RQOWUERUOPSKAC-UHFFFAOYSA-N	1	0	372.385	1.668	20	30		FDEDRO
C[C@@H]1COCC[N@@H+]1C1CCN(CC(=O)NCc2ccc(C#N)cc2)CC1	ZINC000562478846	546152092	/nfs/dbraw/zinc/15/20/92/546152092.db2.gz	PMTPOASBWUCFLB-MRXNPFEDSA-N	1	0	356.470	1.360	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](c3ccncc3)C2)CC1	ZINC000562478865	546152144	/nfs/dbraw/zinc/15/21/44/546152144.db2.gz	PWHGJPNVLKVPOF-RTBURBONSA-N	1	0	355.486	1.563	20	30		FDEDRO
C=CCn1c(N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)nnc1C(C)(C)C	ZINC000562790603	546269430	/nfs/dbraw/zinc/26/94/30/546269430.db2.gz	YAPIGTBFZIXVSK-HNNXBMFYSA-N	1	0	360.506	1.552	20	30		FDEDRO
Cc1ncc2c(n1)CC[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)C2	ZINC000562988808	546344013	/nfs/dbraw/zinc/34/40/13/546344013.db2.gz	SWQRLVCLKNNRBL-ROUUACIJSA-N	1	0	352.438	1.738	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1	ZINC000562994326	546345949	/nfs/dbraw/zinc/34/59/49/546345949.db2.gz	XJCGYZVZKHXQID-OAHLLOKOSA-N	1	0	363.849	1.728	20	30		FDEDRO
Cc1c(I)cn(CC[C@@H]2CC[NH2+]C2)c(=O)c1C#N	ZINC000563080768	546393159	/nfs/dbraw/zinc/39/31/59/546393159.db2.gz	SECYLCIRLPCFKF-JTQLQIEISA-N	1	0	357.195	1.633	20	30		FDEDRO
N#Cc1cccc(CNC(=O)CN2CCC(CO)([NH2+]CC3CC3)CC2)c1	ZINC000563215048	546449222	/nfs/dbraw/zinc/44/92/22/546449222.db2.gz	DDJIDEPDBCJDKI-UHFFFAOYSA-N	1	0	356.470	1.001	20	30		FDEDRO
C[C@H]([NH2+][C@@H](CO)[C@@H]1CCCOC1)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000563234738	546459154	/nfs/dbraw/zinc/45/91/54/546459154.db2.gz	AVOATPCXMPBFCD-FNYPPERVSA-N	1	0	351.491	1.683	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCc3ccc(C#N)cc32)C[C@H]1C	ZINC000563340513	546493887	/nfs/dbraw/zinc/49/38/87/546493887.db2.gz	CRTXAWUOXKXPLS-PBHICJAKSA-N	1	0	354.454	1.779	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)ncc1C#N	ZINC000563386135	546512389	/nfs/dbraw/zinc/51/23/89/546512389.db2.gz	PZFRHLYTBZUQBH-OAHLLOKOSA-N	1	0	355.442	1.391	20	30		FDEDRO
CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC000564122688	546816304	/nfs/dbraw/zinc/81/63/04/546816304.db2.gz	HYDONGGAEMNEQM-HNNXBMFYSA-N	1	0	354.451	1.448	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)N[C@@H](CCC#N)c3ccccc3)C[C@H]2[NH3+])cn1	ZINC000564722870	547015610	/nfs/dbraw/zinc/01/56/10/547015610.db2.gz	WEEPQJNWAMSWTG-KSZLIROESA-N	1	0	352.442	1.901	20	30		FDEDRO
CCO[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1n1cccn1	ZINC000564723712	547016165	/nfs/dbraw/zinc/01/61/65/547016165.db2.gz	PWLVIFRURDQJDK-KSZLIROESA-N	1	0	374.466	1.537	20	30		FDEDRO
CCOC(=O)CC[C@@H](O)C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000564857476	547070065	/nfs/dbraw/zinc/07/00/65/547070065.db2.gz	TYONRZLAPLKXJM-HZPDHXFCSA-N	1	0	363.433	1.960	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C2CC2)C1)C(C)C	ZINC000565378236	547326996	/nfs/dbraw/zinc/32/69/96/547326996.db2.gz	QQIWFBBRAUIKSB-ZWKOTPCHSA-N	1	0	363.502	1.439	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC3(C#N)CC3)c(C)c2)CC1	ZINC000565767494	547472186	/nfs/dbraw/zinc/47/21/86/547472186.db2.gz	OHSCBBHPINALAY-UHFFFAOYSA-N	1	0	369.469	1.495	20	30		FDEDRO
CC(C)(C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1)C1(O)CCOCC1	ZINC000566119326	547613748	/nfs/dbraw/zinc/61/37/48/547613748.db2.gz	YIPRHLVDIDRBJH-KRWDZBQOSA-N	1	0	362.470	1.650	20	30		FDEDRO
Cc1cc(N2CCC[C@H]([NH2+]C[C@H](O)COc3ccc(C#N)cc3)C2)n(C)n1	ZINC000566125667	547616208	/nfs/dbraw/zinc/61/62/08/547616208.db2.gz	UCLDYYCGRKPTND-ROUUACIJSA-N	1	0	369.469	1.599	20	30		FDEDRO
C[C@@H]1CC2(CN1C(=O)C(=O)NCc1ccc(CC#N)cc1)CC[NH2+]CC2	ZINC000566236437	547675654	/nfs/dbraw/zinc/67/56/54/547675654.db2.gz	DNQVTRYIAJYITR-OAHLLOKOSA-N	1	0	354.454	1.359	20	30		FDEDRO
Cc1ccc(C[N@@H+]2CCCN(C(=O)Cn3cc(C#N)ccc3=O)CC2)cc1	ZINC000566499489	547783473	/nfs/dbraw/zinc/78/34/73/547783473.db2.gz	VUKRUBZRASCORO-UHFFFAOYSA-N	1	0	364.449	1.763	20	30		FDEDRO
C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCCn2cnc(C#N)n2)C1	ZINC000566566512	547811317	/nfs/dbraw/zinc/81/13/17/547811317.db2.gz	BKPMSOKSQDVQCK-HOCLYGCPSA-N	1	0	353.430	1.284	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N(C)C1CCOCC1)C(C)C	ZINC000566634957	547835108	/nfs/dbraw/zinc/83/51/08/547835108.db2.gz	JLJNLDZPTFUMFM-KRWDZBQOSA-N	1	0	351.491	1.439	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C	ZINC000566659227	547842528	/nfs/dbraw/zinc/84/25/28/547842528.db2.gz	UUDNZNBUYWNLNT-MRXNPFEDSA-N	1	0	358.442	1.742	20	30		FDEDRO
C[C@@H]1CN(CCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C[C@H](C)O1	ZINC000567536827	548152958	/nfs/dbraw/zinc/15/29/58/548152958.db2.gz	XVZQWCVZRNDAOR-IYBDPMFKSA-N	1	0	365.499	1.421	20	30		FDEDRO
COC(=O)c1ccc(OC[C@H](O)C[NH2+]CCc2cccc(C#N)c2)cc1	ZINC000567700324	548219181	/nfs/dbraw/zinc/21/91/81/548219181.db2.gz	JMTHAQYKEINAMP-GOSISDBHSA-N	1	0	354.406	1.917	20	30		FDEDRO
COCC1(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CCCCC1	ZINC000567708307	548222262	/nfs/dbraw/zinc/22/22/62/548222262.db2.gz	LNXYBDJVNZFMII-UHFFFAOYSA-N	1	0	351.472	1.913	20	30		FDEDRO
CNC(=O)COc1cccc(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)c1	ZINC000567756739	548245096	/nfs/dbraw/zinc/24/50/96/548245096.db2.gz	KNKWNNPOPZKKOT-KRWDZBQOSA-N	1	0	369.421	1.213	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H](CO)Cc2cccnc2)cc1	ZINC000567873101	548301972	/nfs/dbraw/zinc/30/19/72/548301972.db2.gz	MXMPTNQKUVSXQT-QGZVFWFLSA-N	1	0	359.451	1.168	20	30		FDEDRO
C[N@H+](CCN1CCCC1=O)Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000568349291	548499112	/nfs/dbraw/zinc/49/91/12/548499112.db2.gz	BQZGHJGFBVOUMG-UHFFFAOYSA-N	1	0	352.442	1.913	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)Nc2cccc(C#N)c2)(N2CCOCC2)CC1	ZINC000568486191	548555748	/nfs/dbraw/zinc/55/57/48/548555748.db2.gz	RXIOIFGFZFNOLN-UHFFFAOYSA-N	1	0	357.458	1.476	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C	ZINC000568567930	548589416	/nfs/dbraw/zinc/58/94/16/548589416.db2.gz	XAKPBQFWUBAWPV-OAGGEKHMSA-N	1	0	351.491	1.320	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)N(C)CCOCc2ccc(C#N)cc2)CC1	ZINC000569147853	548815464	/nfs/dbraw/zinc/81/54/64/548815464.db2.gz	ZZHRTCKEUSXRQF-UHFFFAOYSA-N	1	0	374.485	1.827	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCC(CC[NH3+])CC2)c1	ZINC000569347400	548884671	/nfs/dbraw/zinc/88/46/71/548884671.db2.gz	AZFQPGVVMCKSRI-UHFFFAOYSA-N	1	0	366.368	1.686	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)cc1	ZINC000570111555	549162261	/nfs/dbraw/zinc/16/22/61/549162261.db2.gz	ULCCJTAWSPSBIE-YZGWKJHDSA-N	1	0	360.454	1.402	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCN(c3ncccc3F)C2)cc1	ZINC000570390412	549262002	/nfs/dbraw/zinc/26/20/02/549262002.db2.gz	CCTZXKNSJSILST-JKSUJKDBSA-N	1	0	356.401	1.701	20	30		FDEDRO
CCN1CCC([NH+]2CCC(C(=O)N=c3cc(C)n(CCC#N)[nH]3)CC2)CC1	ZINC000570736716	549393189	/nfs/dbraw/zinc/39/31/89/549393189.db2.gz	GZEDWKJEQTUHPJ-UHFFFAOYSA-N	1	0	372.517	2.240	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1	ZINC000570975227	549481248	/nfs/dbraw/zinc/48/12/48/549481248.db2.gz	LJXRASKVFDUWCJ-AWEZNQCLSA-N	1	0	353.488	1.609	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)C2=O)cc1	ZINC000571069566	549514826	/nfs/dbraw/zinc/51/48/26/549514826.db2.gz	BKNWUHZNNSQKDV-AEFFLSMTSA-N	1	0	367.453	1.195	20	30		FDEDRO
N#Cc1cc(NC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)ccc1F	ZINC000571146575	549541501	/nfs/dbraw/zinc/54/15/01/549541501.db2.gz	LRXVJWQHHVONDP-DYVFJYSZSA-N	1	0	373.432	1.809	20	30		FDEDRO
N#Cc1c(CN2C(=O)N[C@]3(CCCC[C@@H]3C[NH3+])C2=O)cn2ccccc12	ZINC000571878967	549789906	/nfs/dbraw/zinc/78/99/06/549789906.db2.gz	XAYINEXOCKARRO-KUHUBIRLSA-N	1	0	351.410	1.750	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCCC[N@H+]1CC(C)C	ZINC000572196444	549862700	/nfs/dbraw/zinc/86/27/00/549862700.db2.gz	YSBSRCGFYYCTIW-KURKYZTESA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCSc1ccccc1NC(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1	ZINC000572379698	549901886	/nfs/dbraw/zinc/90/18/86/549901886.db2.gz	NUDLVXITQUZULW-ZIAGYGMSSA-N	1	0	360.483	1.147	20	30		FDEDRO
N#Cc1ncn(CC[NH2+]C[C@H](O)COc2ccc(-c3ccccc3)cc2)n1	ZINC000572715219	549978105	/nfs/dbraw/zinc/97/81/05/549978105.db2.gz	WDVZVOPIDPXYGT-SFHVURJKSA-N	1	0	363.421	1.846	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]CCNC(=O)c2ccccc2F)cc1	ZINC000572834465	550005038	/nfs/dbraw/zinc/00/50/38/550005038.db2.gz	LQFZRRMZSYONEY-HNNXBMFYSA-N	1	0	357.385	1.457	20	30		FDEDRO
CCN(CC)C(=O)CCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000573316965	550110082	/nfs/dbraw/zinc/11/00/82/550110082.db2.gz	QPYGGUATBBSJPP-UHFFFAOYSA-N	1	0	351.472	1.570	20	30		FDEDRO
CC[NH2+]CCCNC(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1	ZINC000573546143	550161112	/nfs/dbraw/zinc/16/11/12/550161112.db2.gz	RNSRPYVMPCWQOR-UHFFFAOYSA-N	1	0	368.441	1.415	20	30		FDEDRO
CS(=O)(=O)Nc1cccc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)c1	ZINC000573938440	550235177	/nfs/dbraw/zinc/23/51/77/550235177.db2.gz	INVXTZGNFNJBJY-UHFFFAOYSA-N	1	0	356.411	1.262	20	30		FDEDRO
C=CCn1c(C)cc(C(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C[NH3+])C2=O)c1C	ZINC000574037154	550249932	/nfs/dbraw/zinc/24/99/32/550249932.db2.gz	DKEUXOYLZDJPHF-QRWLVFNGSA-N	1	0	372.469	1.913	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)CN(CC(=O)OC(C)(C)C)C1CCOCC1	ZINC000574089562	550255523	/nfs/dbraw/zinc/25/55/23/550255523.db2.gz	ODBZPLSWIGAVMD-OAHLLOKOSA-N	1	0	367.490	1.817	20	30		FDEDRO
Cc1cccc([C@H](C[NH2+]C[C@H](O)CN(C)CCC#N)N2CCOCC2)c1	ZINC000574661986	550350434	/nfs/dbraw/zinc/35/04/34/550350434.db2.gz	JYEDXVCKNHIJOD-PMACEKPBSA-N	1	0	360.502	1.164	20	30		FDEDRO
N#Cc1cc(NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)ccc1F	ZINC000574894700	550388126	/nfs/dbraw/zinc/38/81/26/550388126.db2.gz	RYTUTLYGFLRNJZ-UHFFFAOYSA-N	1	0	361.421	1.811	20	30		FDEDRO
CSC1(CNS(=O)(=O)c2ccc(F)cc2C#N)CC[NH+](C)CC1	ZINC000575221275	550445982	/nfs/dbraw/zinc/44/59/82/550445982.db2.gz	NFNGUUVZKYIGCO-UHFFFAOYSA-N	1	0	357.476	1.803	20	30		FDEDRO
C[NH+](C)CCOc1cnccc1CNS(=O)(=O)c1cccc(C#N)c1	ZINC000575900005	550488718	/nfs/dbraw/zinc/48/87/18/550488718.db2.gz	XFQIBJRDBBEXKG-UHFFFAOYSA-N	1	0	360.439	1.372	20	30		FDEDRO
CC(=O)Nc1ccc(C[NH+]2CCC(Nc3ccc(C#N)c(N)n3)CC2)cc1	ZINC000576413053	550546842	/nfs/dbraw/zinc/54/68/42/550546842.db2.gz	ZPRIGHZAOVNLEV-UHFFFAOYSA-N	1	0	364.453	2.570	20	30		FDEDRO
N#Cc1cncc(S(=O)(=O)NC[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)c1	ZINC000576990449	550608414	/nfs/dbraw/zinc/60/84/14/550608414.db2.gz	RIVQSYLUARBJBU-QAPCUYQASA-N	1	0	374.441	1.764	20	30		FDEDRO
COCCN(CCS(=O)(=O)c1ccc(C#N)cn1)Cc1cccs1	ZINC000577299348	550642269	/nfs/dbraw/zinc/64/22/69/550642269.db2.gz	QUFAXHPIMGYXKE-UHFFFAOYSA-N	1	0	365.480	1.937	20	30		FDEDRO
N#Cc1cnn2cc(C[NH+]3CCC(c4nnc5n4CCCC5)CC3)cnc12	ZINC000577373159	550649451	/nfs/dbraw/zinc/64/94/51/550649451.db2.gz	BVUWUZPYBDNKQN-UHFFFAOYSA-N	1	0	362.441	1.908	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)C2)c(F)c1	ZINC000577474678	550659652	/nfs/dbraw/zinc/65/96/52/550659652.db2.gz	GKUNZPLJNZYDKC-BBWFWOEESA-N	1	0	371.460	1.917	20	30		FDEDRO
COC(=O)c1ccc(C[NH2+]C[C@@H]2CNc3c(C#N)cnn3C2)cc1OC	ZINC000577653589	550680272	/nfs/dbraw/zinc/68/02/72/550680272.db2.gz	DZWJMBUEACTHDN-CYBMUJFWSA-N	1	0	355.398	1.381	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1	ZINC000578256947	550745657	/nfs/dbraw/zinc/74/56/57/550745657.db2.gz	ZZVQUAUSNNVAHC-GOSISDBHSA-N	1	0	350.422	1.411	20	30		FDEDRO
CC(C)CN1C[C@@H]2C[N@H+](CCC(=O)Nc3ccc(C#N)cc3)CCN2C1=O	ZINC000578512912	550771781	/nfs/dbraw/zinc/77/17/81/550771781.db2.gz	CQIHCENAVITYOL-SFHVURJKSA-N	1	0	369.469	1.965	20	30		FDEDRO
CCc1cnc(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)s1	ZINC000578618811	550782983	/nfs/dbraw/zinc/78/29/83/550782983.db2.gz	SOFWJDAMCSOJMB-UHFFFAOYSA-N	1	0	350.469	1.578	20	30		FDEDRO
N#Cc1cc2c(n(CC3(CO)COC3)c1=O)CC[N@H+](Cc1ccccc1)C2	ZINC000578911305	550815181	/nfs/dbraw/zinc/81/51/81/550815181.db2.gz	VSDIKCQDIKLSIU-UHFFFAOYSA-N	1	0	365.433	1.287	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC1CCC(Oc2ncccc2C#N)CC1	ZINC000579333056	550860935	/nfs/dbraw/zinc/86/09/35/550860935.db2.gz	NPAMZBIHOKMREY-MFNRNEDNSA-N	1	0	357.458	1.940	20	30		FDEDRO
N#Cc1ncc(NC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)cc1Cl	ZINC000579569237	550886708	/nfs/dbraw/zinc/88/67/08/550886708.db2.gz	XGLMBRUZQCJPEF-UHFFFAOYSA-N	1	0	362.865	1.945	20	30		FDEDRO
C[N@H+](Cc1ccccc1)C1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)C1	ZINC000579867020	550918622	/nfs/dbraw/zinc/91/86/22/550918622.db2.gz	SJHPQHQDTHGVQP-UHFFFAOYSA-N	1	0	362.433	1.631	20	30		FDEDRO
N#Cc1ncn(CC[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)n1	ZINC000579948999	550927051	/nfs/dbraw/zinc/92/70/51/550927051.db2.gz	MSHVDCLGOBNXDQ-NSHDSACASA-N	1	0	356.213	1.486	20	30		FDEDRO
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1	ZINC000579973852	550929884	/nfs/dbraw/zinc/92/98/84/550929884.db2.gz	OADYWMSXLQYGOC-RDBSUJKOSA-N	1	0	373.482	1.857	20	30		FDEDRO
C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC1CCC(Oc2ncccc2C#N)CC1	ZINC000580192401	550953312	/nfs/dbraw/zinc/95/33/12/550953312.db2.gz	NAHSNFMEDPXVLK-LOCSVTFISA-N	1	0	373.457	1.001	20	30		FDEDRO
CC(C)C(=O)N1CCC([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000580362732	550971130	/nfs/dbraw/zinc/97/11/30/550971130.db2.gz	ZIEMQMXBCPQIFT-SFHVURJKSA-N	1	0	359.470	1.729	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)C(=O)N1Cc2ccccc2C1	ZINC000580436345	550982329	/nfs/dbraw/zinc/98/23/29/550982329.db2.gz	ZQMZUWUSVKRJCN-HNAYVOBHSA-N	1	0	365.433	1.818	20	30		FDEDRO
CC[N@H+](C)C[C@H](O)COc1cc(C#N)ccc1I	ZINC000580659878	551005768	/nfs/dbraw/zinc/00/57/68/551005768.db2.gz	URBQGIWGZCIYBX-NSHDSACASA-N	1	0	360.195	1.854	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(C#N)CC2)C[N@@H+]1Cc1ccccc1	ZINC000580914505	551032352	/nfs/dbraw/zinc/03/23/52/551032352.db2.gz	ZLQRCRSQEISGLX-CRAIPNDOSA-N	1	0	354.454	1.528	20	30		FDEDRO
CC(C)[NH+]1CCN([C@H]2CCN(Cc3cnc4c(C#N)cnn4c3)C2)CC1	ZINC000580952296	551036729	/nfs/dbraw/zinc/03/67/29/551036729.db2.gz	VFRBTHBLEFOVGM-SFHVURJKSA-N	1	0	353.474	1.201	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)n1	ZINC000581181330	551060736	/nfs/dbraw/zinc/06/07/36/551060736.db2.gz	LKTOWJPKGULFPJ-OWCLPIDISA-N	1	0	354.458	1.173	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)c1C#N	ZINC000581933850	551151823	/nfs/dbraw/zinc/15/18/23/551151823.db2.gz	XKOLNQIDQWHGMD-QLFBSQMISA-N	1	0	374.514	1.543	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)NC1CCCC1	ZINC000581971144	551157255	/nfs/dbraw/zinc/15/72/55/551157255.db2.gz	JQQCTLKQKNWGFQ-UHFFFAOYSA-N	1	0	350.488	1.699	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCn2cnc3ccccc32)nc1	ZINC000582236265	551194792	/nfs/dbraw/zinc/19/47/92/551194792.db2.gz	KNZHXICOFSNLFX-UHFFFAOYSA-N	1	0	369.450	1.757	20	30		FDEDRO
C=C(C)Cn1c(C2CCC2)nnc1N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1	ZINC000582946797	551283841	/nfs/dbraw/zinc/28/38/41/551283841.db2.gz	FNEDMBKUXRYQAI-KRWDZBQOSA-N	1	0	372.517	1.912	20	30		FDEDRO
C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNS(=O)(=O)c2cncc(C#N)c2)C1	ZINC000583172583	551313950	/nfs/dbraw/zinc/31/39/50/551313950.db2.gz	HBDPLSCSCYUSJM-OKILXGFUSA-N	1	0	350.488	1.988	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCCc3cc(C#N)ccc32)C1	ZINC000583389113	551344429	/nfs/dbraw/zinc/34/44/29/551344429.db2.gz	BBASTPGGKMAJSH-IBGZPJMESA-N	1	0	370.497	1.784	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3CCCC[C@H]3C[NH3+])C2=O)cc1	ZINC000583430493	551350429	/nfs/dbraw/zinc/35/04/29/551350429.db2.gz	BZFQJNPRXVDCEW-KSZLIROESA-N	1	0	369.469	1.476	20	30		FDEDRO
CCN(CC)C(=O)C[NH+]1CCC(NC(=O)Cc2ccc(C#N)cc2)CC1	ZINC000583450203	551353668	/nfs/dbraw/zinc/35/36/68/551353668.db2.gz	JDNNPXSSZBBILU-UHFFFAOYSA-N	1	0	356.470	1.550	20	30		FDEDRO
C[NH2+]CCCC(=O)N1CCC(NC(=O)NCc2cccc(C#N)c2)CC1	ZINC000584243471	551469318	/nfs/dbraw/zinc/46/93/18/551469318.db2.gz	CMOZEUOMIBFZGY-UHFFFAOYSA-N	1	0	357.458	1.348	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC2CCC(N3CC[NH2+]CC3)CC2)c(F)c1	ZINC000584713185	551534665	/nfs/dbraw/zinc/53/46/65/551534665.db2.gz	QNWNTDHKOVZPBU-UHFFFAOYSA-N	1	0	366.462	1.192	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2	ZINC000584716693	551535346	/nfs/dbraw/zinc/53/53/46/551535346.db2.gz	LSPOAERBXHMRCI-FTRWYGJKSA-N	1	0	360.454	1.882	20	30		FDEDRO
C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1	ZINC000584748778	551541553	/nfs/dbraw/zinc/54/15/53/551541553.db2.gz	NOMWCBZAZZACFL-STQMWFEESA-N	1	0	356.405	2.439	20	30		FDEDRO
CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)C1	ZINC000587706101	551634791	/nfs/dbraw/zinc/63/47/91/551634791.db2.gz	UXZVSNOGFCJHFY-RDJZCZTQSA-N	1	0	356.470	1.926	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC[N@H+](C)C2)cc1	ZINC000588293345	551664633	/nfs/dbraw/zinc/66/46/33/551664633.db2.gz	HKRGAZKHBUSTLL-GXTWGEPZSA-N	1	0	350.444	1.588	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)n(CCC#N)n1	ZINC000588728278	551680186	/nfs/dbraw/zinc/68/01/86/551680186.db2.gz	XMTCAYHFXUHEOS-GJZGRUSLSA-N	1	0	358.446	1.129	20	30		FDEDRO
Cc1nccc([C@@H]2CCCN(CCS(=O)(=O)c3ccc(C#N)cn3)C2)n1	ZINC000588957451	551700832	/nfs/dbraw/zinc/70/08/32/551700832.db2.gz	VFPSYOQHTPRSLW-MRXNPFEDSA-N	1	0	371.466	1.705	20	30		FDEDRO
N#Cc1cccc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)n1	ZINC000589457488	551731740	/nfs/dbraw/zinc/73/17/40/551731740.db2.gz	IHVTUEZFDXKMCG-LPHOPBHVSA-N	1	0	350.422	1.566	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1	ZINC000589527469	551735035	/nfs/dbraw/zinc/73/50/35/551735035.db2.gz	CNNQNQHZQDDDDX-IBGZPJMESA-N	1	0	357.502	1.527	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1	ZINC000589858846	551748395	/nfs/dbraw/zinc/74/83/95/551748395.db2.gz	YWSFYUXIZOWIOS-SJORKVTESA-N	1	0	354.458	1.412	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)[C@H]2C1	ZINC000589930319	551752528	/nfs/dbraw/zinc/75/25/28/551752528.db2.gz	VYCWWAGFLMHSOJ-RISCZKNCSA-N	1	0	370.272	1.645	20	30		FDEDRO
C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2cc(Br)cc(C#N)c2)C1	ZINC000589930318	551752554	/nfs/dbraw/zinc/75/25/54/551752554.db2.gz	VYCWWAGFLMHSOJ-FZMZJTMJSA-N	1	0	370.272	1.645	20	30		FDEDRO
C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)C2)C1	ZINC000590165374	551763225	/nfs/dbraw/zinc/76/32/25/551763225.db2.gz	LPFVNMWBLVKOCQ-INIZCTEOSA-N	1	0	364.427	1.573	20	30		FDEDRO
CC(C)C[C@H](NC(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000590399504	551780434	/nfs/dbraw/zinc/78/04/34/551780434.db2.gz	YRUFVRJRRLARGK-ROUUACIJSA-N	1	0	356.470	1.865	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccn(-c2cccc(C#N)c2)n1	ZINC000590402392	551780824	/nfs/dbraw/zinc/78/08/24/551780824.db2.gz	STQUGOOZPWBUFW-MOPGFXCFSA-N	1	0	365.437	1.679	20	30		FDEDRO
COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1	ZINC000590550256	551791001	/nfs/dbraw/zinc/79/10/01/551791001.db2.gz	OMPXLVQBMOZLOY-SJORKVTESA-N	1	0	373.453	1.393	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CCCN(c3ncnc4c3OCCN4)CC2)cc1	ZINC000590573476	551793756	/nfs/dbraw/zinc/79/37/56/551793756.db2.gz	XPCXAIJTHOZMKW-UHFFFAOYSA-N	1	0	350.426	1.865	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]2C(=O)NC[C@H]2CCCC[N@H+]2CCO)cc1	ZINC000590768048	551815016	/nfs/dbraw/zinc/81/50/16/551815016.db2.gz	VFVJDWCMPTWFGW-MOPGFXCFSA-N	1	0	356.470	1.490	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)[C@@H]2C1	ZINC000590785868	551816546	/nfs/dbraw/zinc/81/65/46/551816546.db2.gz	MFVZRPUYQZEWMC-CZUORRHYSA-N	1	0	370.453	1.837	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCO1	ZINC000591297669	551857943	/nfs/dbraw/zinc/85/79/43/551857943.db2.gz	AXHTZUGVPQDHJM-XHDPSFHLSA-N	1	0	374.832	1.977	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1	ZINC000591308452	551860312	/nfs/dbraw/zinc/86/03/12/551860312.db2.gz	SMHAWVYNUKAUGY-UONOGXRCSA-N	1	0	358.417	1.874	20	30		FDEDRO
N#Cc1ccccc1N1CCN(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)CC1	ZINC000591310787	551860571	/nfs/dbraw/zinc/86/05/71/551860571.db2.gz	KNCDBHVVUFXDFH-UHFFFAOYSA-N	1	0	362.437	1.953	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@@H](C[NH3+])C3CCCC3)C2=O)cc1	ZINC000591357132	551865689	/nfs/dbraw/zinc/86/56/89/551865689.db2.gz	OQOLHAZISOUDTO-MSOLQXFVSA-N	1	0	369.469	1.476	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@@H]4CC[NH2+][C@H]4C3)C2=O)cc1	ZINC000591356529	551865714	/nfs/dbraw/zinc/86/57/14/551865714.db2.gz	JLHUMKJSYQYGJA-SZMVWBNQSA-N	1	0	367.453	1.447	20	30		FDEDRO
N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCC[NH2+]C2CC2)CC1	ZINC000591359195	551865950	/nfs/dbraw/zinc/86/59/50/551865950.db2.gz	DRAXXYQMNQXMJB-UHFFFAOYSA-N	1	0	370.413	1.390	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NCC[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1	ZINC000591359541	551865976	/nfs/dbraw/zinc/86/59/76/551865976.db2.gz	LFWWZKJYLCMKQY-IEBWSBKVSA-N	1	0	355.486	1.796	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)NCC[NH2+]C2CCCCCC2)c(F)c1	ZINC000591387952	551867317	/nfs/dbraw/zinc/86/73/17/551867317.db2.gz	FAZWQXPEXOHAND-UHFFFAOYSA-N	1	0	360.433	1.742	20	30		FDEDRO
C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCc1ccc(C#N)c(Cl)c1	ZINC000591395923	551867722	/nfs/dbraw/zinc/86/77/22/551867722.db2.gz	FSBWXFYTRVJQPC-QWHCGFSZSA-N	1	0	350.850	1.808	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NCCC[NH2+]Cc1cccnc1)c1cccc(C#N)c1	ZINC000591404593	551868213	/nfs/dbraw/zinc/86/82/13/551868213.db2.gz	UCEONUPDKOVWDW-OAHLLOKOSA-N	1	0	365.437	1.427	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1	ZINC000591576911	551881114	/nfs/dbraw/zinc/88/11/14/551881114.db2.gz	MOJRDVJOTAEHCG-ZWKOTPCHSA-N	1	0	352.438	1.283	20	30		FDEDRO
COc1ccc(Br)cc1C[NH2+]C[C@@H](O)CN(C)CCC#N	ZINC000591728836	551904293	/nfs/dbraw/zinc/90/42/93/551904293.db2.gz	VNNNGYYGDPSFJY-CQSZACIVSA-N	1	0	356.264	1.754	20	30		FDEDRO
N#CCN1CCC([NH2+]C[C@H](O)COc2ccc(Br)cc2)CC1	ZINC000591736885	551904935	/nfs/dbraw/zinc/90/49/35/551904935.db2.gz	XBGZPJLROAVADS-HNNXBMFYSA-N	1	0	368.275	1.766	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H](O)CN1C(=O)c2ccccc2C1=O	ZINC000591763721	551906819	/nfs/dbraw/zinc/90/68/19/551906819.db2.gz	DWJAODAFCQGYGX-HNAYVOBHSA-N	1	0	361.401	1.792	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCc3cc(O)ccc3C2)nc1	ZINC000591763599	551907053	/nfs/dbraw/zinc/90/70/53/551907053.db2.gz	MYYBCSHDKGAOKN-INIZCTEOSA-N	1	0	357.435	1.580	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C2CCC(OC(F)F)CC2)nc1	ZINC000591770618	551907667	/nfs/dbraw/zinc/90/76/67/551907667.db2.gz	UNTBKPYNQCCILM-UHFFFAOYSA-N	1	0	359.398	1.867	20	30		FDEDRO
Cc1nn(-c2ccccc2)c(Cn2cnc3c(c2=O)CC[NH2+]CC3)c1C#N	ZINC000592178137	551954491	/nfs/dbraw/zinc/95/44/91/551954491.db2.gz	XODBHUAISBKUHD-UHFFFAOYSA-N	1	0	360.421	1.346	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1	ZINC000592340947	551982146	/nfs/dbraw/zinc/98/21/46/551982146.db2.gz	BDULVLOUBRXVBW-SFHVURJKSA-N	1	0	354.454	1.456	20	30		FDEDRO
C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	ZINC000592428401	551994181	/nfs/dbraw/zinc/99/41/81/551994181.db2.gz	IELDXYKFJDZASO-STQMWFEESA-N	1	0	367.409	1.926	20	30		FDEDRO
CC(=O)NCC[N@H+](C[C@H]1CNc2c(C#N)cnn2C1)C1CCSCC1	ZINC000592510028	552003570	/nfs/dbraw/zinc/00/35/70/552003570.db2.gz	MOVLKNJAJUGNFC-CQSZACIVSA-N	1	0	362.503	1.130	20	30		FDEDRO
CCN1CCC([N@@H+]2CCCN(Cc3cnc4c(C#N)cnn4c3)CC2)CC1	ZINC000592516544	552004190	/nfs/dbraw/zinc/00/41/90/552004190.db2.gz	RGEJVKBRMBLIBW-UHFFFAOYSA-N	1	0	367.501	1.593	20	30		FDEDRO
N#CC[C@]1(O)CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1	ZINC000592841921	552034821	/nfs/dbraw/zinc/03/48/21/552034821.db2.gz	WZVXWOCJRHEITQ-FQEVSTJZSA-N	1	0	356.470	1.466	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCC3(CC3(F)F)CC2)CC1	ZINC000593071836	552058328	/nfs/dbraw/zinc/05/83/28/552058328.db2.gz	COORJPSRHXEVSC-HNNXBMFYSA-N	1	0	354.445	1.800	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@@]4(CC4(F)F)C3)CC2)o1	ZINC000593118768	552064650	/nfs/dbraw/zinc/06/46/50/552064650.db2.gz	RRWNNPDUUFNKRA-MRXNPFEDSA-N	1	0	365.384	1.234	20	30		FDEDRO
CCNC(=O)[C@H](C)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593298688	552084963	/nfs/dbraw/zinc/08/49/63/552084963.db2.gz	BVTFSPQDODUGBN-AWEZNQCLSA-N	1	0	357.458	1.346	20	30		FDEDRO
CN1C[C@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCC1=O	ZINC000593346810	552093450	/nfs/dbraw/zinc/09/34/50/552093450.db2.gz	BOFMGVYOFYQNDV-GOSISDBHSA-N	1	0	369.469	1.443	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cccc4ncnn43)CC2)c1	ZINC000593350178	552094179	/nfs/dbraw/zinc/09/41/79/552094179.db2.gz	BQDMFXJBXVNLOI-UHFFFAOYSA-N	1	0	360.421	1.995	20	30		FDEDRO
Cn1cc(CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)nn1	ZINC000593392298	552100893	/nfs/dbraw/zinc/10/08/93/552100893.db2.gz	UDEJGZOJSAFUSL-UHFFFAOYSA-N	1	0	353.430	1.151	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC[C@@]1(O)CCCOC1	ZINC000593506544	552119187	/nfs/dbraw/zinc/11/91/87/552119187.db2.gz	QSHHQZAAKKLXMP-FQEVSTJZSA-N	1	0	374.485	1.563	20	30		FDEDRO
C[C@@](O)(CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CC1	ZINC000593512340	552119976	/nfs/dbraw/zinc/11/99/76/552119976.db2.gz	UAUYSDHULDJBFE-HXUWFJFHSA-N	1	0	356.470	1.983	20	30		FDEDRO
CN(Cc1nc[nH]n1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593513397	552120070	/nfs/dbraw/zinc/12/00/70/552120070.db2.gz	JCCDVSSYACHUQA-UHFFFAOYSA-N	1	0	353.430	1.482	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593518278	552121512	/nfs/dbraw/zinc/12/15/12/552121512.db2.gz	VAUYUEMYOGLSIE-LJQANCHMSA-N	1	0	354.454	1.596	20	30		FDEDRO
CC[NH+](CC)CCCNS(=O)(=O)c1ccc(C#N)cc1C(=O)OC	ZINC000593524951	552122626	/nfs/dbraw/zinc/12/26/26/552122626.db2.gz	XNANVJDHTGQYEU-UHFFFAOYSA-N	1	0	353.444	1.355	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(C)C	ZINC000593579625	552141904	/nfs/dbraw/zinc/14/19/04/552141904.db2.gz	BYDFFFDZLQHWBD-OAHLLOKOSA-N	1	0	368.459	1.967	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2ccsc2C#N)C[C@H]1[NH+]1CCCC1	ZINC000593583043	552143147	/nfs/dbraw/zinc/14/31/47/552143147.db2.gz	GFBRHMMLUTVPFU-YPMHNXCESA-N	1	0	357.526	1.820	20	30		FDEDRO
Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CC2(C#N)CCCC2)CC1	ZINC000593653520	552164839	/nfs/dbraw/zinc/16/48/39/552164839.db2.gz	OKCVCOCNVMSWPS-UHFFFAOYSA-N	1	0	365.503	1.853	20	30		FDEDRO
C[NH2+]Cc1ccccc1CNC(=O)N1CCN(c2cccc(C#N)n2)CC1	ZINC000593722509	552182602	/nfs/dbraw/zinc/18/26/02/552182602.db2.gz	SQNJCUBQTZQSRJ-UHFFFAOYSA-N	1	0	364.453	1.704	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1	ZINC000593732508	552185999	/nfs/dbraw/zinc/18/59/99/552185999.db2.gz	OPUUXDKBDKQIMI-BRWVUGGUSA-N	1	0	363.483	1.916	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1	ZINC000593766394	552194258	/nfs/dbraw/zinc/19/42/58/552194258.db2.gz	IMDBIYSHOCFOTQ-JZXOWHBKSA-N	1	0	370.453	1.550	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000593913219	552224134	/nfs/dbraw/zinc/22/41/34/552224134.db2.gz	SVIDKTKRNCJPET-XYJFISCASA-N	1	0	373.453	1.691	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)c3csc(CN)n3)CC2)c1	ZINC000593918754	552225567	/nfs/dbraw/zinc/22/55/67/552225567.db2.gz	HZOIWQIFXKBTRH-UHFFFAOYSA-N	1	0	355.467	1.868	20	30		FDEDRO
COC(=O)[C@]12C[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)C[C@H]1CCCC2	ZINC000594015977	552238495	/nfs/dbraw/zinc/23/84/95/552238495.db2.gz	RGVGVNIPAGHHOL-MBOZVWFJSA-N	1	0	358.438	1.963	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCn4nncc4C3)CC2)c1	ZINC000594248933	552270500	/nfs/dbraw/zinc/27/05/00/552270500.db2.gz	KFXCDBWNHLMSIH-UHFFFAOYSA-N	1	0	365.441	1.340	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)N[C@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)n1	ZINC000594284473	552277799	/nfs/dbraw/zinc/27/77/99/552277799.db2.gz	YVSYEPKQMYWANU-ZWKOTPCHSA-N	1	0	368.485	1.802	20	30		FDEDRO
COc1cccc(C(=O)N2CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC2)c1	ZINC000594429276	552308495	/nfs/dbraw/zinc/30/84/95/552308495.db2.gz	SBPVFAFJPPXBHY-QGZVFWFLSA-N	1	0	358.442	1.391	20	30		FDEDRO
Cc1ccccc1CC(=O)N1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1	ZINC000594436557	552309882	/nfs/dbraw/zinc/30/98/82/552309882.db2.gz	KHVOLBLNEULULP-GOSISDBHSA-N	1	0	356.470	1.620	20	30		FDEDRO
CN1CCN(C(=O)Cc2cccc(NC(=O)[C@@H]([NH3+])CCCCC#N)c2)CC1	ZINC000594438761	552310471	/nfs/dbraw/zinc/31/04/71/552310471.db2.gz	LHGJLYKOXJECRY-SFHVURJKSA-N	1	0	371.485	1.353	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H](C(=O)N=c1cc[nH][nH]1)c1ccccc1	ZINC000594439463	552310548	/nfs/dbraw/zinc/31/05/48/552310548.db2.gz	WCXZBEKRZGFAQL-GDBMZVCRSA-N	1	0	354.414	1.617	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccc(O)cc2)CC1	ZINC000594439900	552311017	/nfs/dbraw/zinc/31/10/17/552311017.db2.gz	RYDURLBJZDWHRN-QGZVFWFLSA-N	1	0	358.442	1.981	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1	ZINC000594447234	552312156	/nfs/dbraw/zinc/31/21/56/552312156.db2.gz	WALYQDKNFBIYGS-HOTGVXAUSA-N	1	0	370.519	1.251	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12	ZINC000594482752	552322634	/nfs/dbraw/zinc/32/26/34/552322634.db2.gz	FEIKMKNIUPSBLQ-ZFWWWQNUSA-N	1	0	364.427	1.762	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N[C@H](C[NH3+])C(F)(F)F)CC2)nc1	ZINC000594525867	552327432	/nfs/dbraw/zinc/32/74/32/552327432.db2.gz	XJTHJINORKTHMC-GFCCVEGCSA-N	1	0	356.352	1.111	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F	ZINC000594532739	552329841	/nfs/dbraw/zinc/32/98/41/552329841.db2.gz	TZPHZKLCFQVDQG-BXKDBHETSA-N	1	0	374.388	1.883	20	30		FDEDRO
N#Cc1c(-n2cccn2)cccc1N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000594566282	552334809	/nfs/dbraw/zinc/33/48/09/552334809.db2.gz	LBARPYYTDIUMNW-IBGZPJMESA-N	1	0	364.453	1.662	20	30		FDEDRO
C[C@@H](C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)N1C[C@@H](C)O[C@@H](C)C1	ZINC000594577632	552336710	/nfs/dbraw/zinc/33/67/10/552336710.db2.gz	WHQYFUYXVHIHJA-HRCADAONSA-N	1	0	365.499	1.419	20	30		FDEDRO
CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1	ZINC000594620710	552342648	/nfs/dbraw/zinc/34/26/48/552342648.db2.gz	LLUNNJUNBOHNFU-UHFFFAOYSA-N	1	0	360.433	1.646	20	30		FDEDRO
COC(=O)c1ccc(OC[C@H](O)C[NH2+]CCc2ccc(C#N)cc2)cc1	ZINC000594717983	552362878	/nfs/dbraw/zinc/36/28/78/552362878.db2.gz	JPGUOZOPHSNSOR-GOSISDBHSA-N	1	0	354.406	1.917	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCN1C[C@H](C)OC[C@@H]1C	ZINC000595125706	552459093	/nfs/dbraw/zinc/45/90/93/552459093.db2.gz	KPUXHUYBAZEXEK-KBPBESRZSA-N	1	0	374.441	1.121	20	30		FDEDRO
C[NH+]1CCC(N(Cc2ccccc2)C(=O)C(=O)N2CC[C@](C)(C#N)C2)CC1	ZINC000595145721	552467012	/nfs/dbraw/zinc/46/70/12/552467012.db2.gz	FLGOIUSDODAULS-OAQYLSRUSA-N	1	0	368.481	1.872	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CCCCC1	ZINC000595188188	552483380	/nfs/dbraw/zinc/48/33/80/552483380.db2.gz	MZSAAKRKAURPSX-UHFFFAOYSA-N	1	0	352.398	1.796	20	30		FDEDRO
CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000595240673	552502717	/nfs/dbraw/zinc/50/27/17/552502717.db2.gz	VIZNVMOJRQDAPE-UHFFFAOYSA-N	1	0	353.220	1.455	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)NCC3([NH3+])CCCC3)C2=O)cc1	ZINC000595264813	552507958	/nfs/dbraw/zinc/50/79/58/552507958.db2.gz	PXBPFKKMTCPIAS-MRXNPFEDSA-N	1	0	355.442	1.624	20	30		FDEDRO
N#CCCC[C@@H](NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)c1ccccc1	ZINC000595266730	552508300	/nfs/dbraw/zinc/50/83/00/552508300.db2.gz	CRQLZVAPDVBVGC-OAHLLOKOSA-N	1	0	354.414	1.875	20	30		FDEDRO
COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CC[C@@](F)(C#N)C2)cc1F	ZINC000595269819	552509013	/nfs/dbraw/zinc/50/90/13/552509013.db2.gz	MXHPIIZICMLJMK-DHSIGJKJSA-N	1	0	364.396	1.927	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CCN(C(=O)NC/C=C/C[NH3+])CC3)n[nH]2)cc1	ZINC000595275053	552510055	/nfs/dbraw/zinc/51/00/55/552510055.db2.gz	ZIJPGPSAVIUGCU-OWOJBTEDSA-N	1	0	365.441	1.295	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CCCCC1	ZINC000595278979	552511298	/nfs/dbraw/zinc/51/12/98/552511298.db2.gz	VKMXLFQYGBKWON-SJORKVTESA-N	1	0	360.502	1.957	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1	ZINC000595470731	552568014	/nfs/dbraw/zinc/56/80/14/552568014.db2.gz	QYSCZWJGDZDDOJ-WOJBJXKFSA-N	1	0	373.497	1.679	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)N1CCN(c2ccsc2C#N)CC1	ZINC000595552974	552583527	/nfs/dbraw/zinc/58/35/27/552583527.db2.gz	TUSRKJZFSNZOIX-UHFFFAOYSA-N	1	0	365.503	1.420	20	30		FDEDRO
CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)C1	ZINC000595630895	552594922	/nfs/dbraw/zinc/59/49/22/552594922.db2.gz	CIIVEWHTPGWHTD-BBWFWOEESA-N	1	0	351.491	1.827	20	30		FDEDRO
N#CC1(CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CCCCC1	ZINC000595642702	552596568	/nfs/dbraw/zinc/59/65/68/552596568.db2.gz	QVBQUJVREFXTLB-UHFFFAOYSA-N	1	0	363.506	1.752	20	30		FDEDRO
COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000595660786	552598668	/nfs/dbraw/zinc/59/86/68/552598668.db2.gz	DRQNZTSDCPWNJZ-IVXJQHRYSA-N	1	0	351.447	1.226	20	30		FDEDRO
N#Cc1cccc(C2([NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CCOCC2)c1	ZINC000595764195	552612970	/nfs/dbraw/zinc/61/29/70/552612970.db2.gz	GVOBANHOBBCVKR-QGZVFWFLSA-N	1	0	371.397	1.319	20	30		FDEDRO
CN1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCC1=O	ZINC000595780036	552614296	/nfs/dbraw/zinc/61/42/96/552614296.db2.gz	BZMCCXFMZUCRNK-UHFFFAOYSA-N	1	0	360.483	1.991	20	30		FDEDRO
C=CC[C@@]1(C(=O)Nc2ccc(C(=O)NCCC(=O)OC)cc2)CCC[NH2+]1	ZINC000595925139	552634005	/nfs/dbraw/zinc/63/40/05/552634005.db2.gz	SLNJBQJQYYIRPH-IBGZPJMESA-N	1	0	359.426	1.616	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCC[NH2+]1	ZINC000595939832	552635712	/nfs/dbraw/zinc/63/57/12/552635712.db2.gz	MERJWOATHAMCJQ-LJQANCHMSA-N	1	0	372.425	1.578	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1	ZINC000595942486	552636362	/nfs/dbraw/zinc/63/63/62/552636362.db2.gz	ILKRATSOKVBXDO-HOTGVXAUSA-N	1	0	364.471	1.440	20	30		FDEDRO
Cc1cc2c(cc1C#N)[nH]nc2NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1	ZINC000595960534	552638969	/nfs/dbraw/zinc/63/89/69/552638969.db2.gz	VJRKWEHDWCISHM-ZDUSSCGKSA-N	1	0	364.413	1.901	20	30		FDEDRO
N#Cc1sccc1N1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC1	ZINC000595961865	552639145	/nfs/dbraw/zinc/63/91/45/552639145.db2.gz	VRSSNVWOUDGCHH-UHFFFAOYSA-N	1	0	370.482	1.244	20	30		FDEDRO
COC[C@H](Cn1c2c(cc(C#N)c1=O)C[N@@H+](Cc1ccccc1)CC2)OC	ZINC000596318193	552674179	/nfs/dbraw/zinc/67/41/79/552674179.db2.gz	ZIOUFQAYQMBHIK-IBGZPJMESA-N	1	0	367.449	1.940	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1	ZINC000596407731	552677192	/nfs/dbraw/zinc/67/71/92/552677192.db2.gz	GHKHKSKGGWYVCB-GOSISDBHSA-N	1	0	372.469	1.833	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1	ZINC000596570274	552690182	/nfs/dbraw/zinc/69/01/82/552690182.db2.gz	PXONEWTYAIXITD-MRXNPFEDSA-N	1	0	370.453	1.744	20	30		FDEDRO
COc1cc(CNC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)ccc1C#N	ZINC000596605843	552693896	/nfs/dbraw/zinc/69/38/96/552693896.db2.gz	WJJKPDHWPAYRSO-KRWDZBQOSA-N	1	0	360.458	1.819	20	30		FDEDRO
CO[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@@H]1CCOC1	ZINC000596668629	552699224	/nfs/dbraw/zinc/69/92/24/552699224.db2.gz	SNRRLBONKGHNFH-MOPGFXCFSA-N	1	0	374.485	1.683	20	30		FDEDRO
N#Cc1c(F)cc(C(=O)NCCN2CCN(c3ncccn3)CC2)cc1F	ZINC000596834621	552716035	/nfs/dbraw/zinc/71/60/35/552716035.db2.gz	GDGKJNGVGBVGJE-UHFFFAOYSA-N	1	0	372.379	1.178	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCc2cncn2C1	ZINC000596972933	552730500	/nfs/dbraw/zinc/73/05/00/552730500.db2.gz	HLORDDYDMZYBIE-GOSISDBHSA-N	1	0	351.454	1.908	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CC2(C#N)CCOCC2)CC1	ZINC000597052899	552740031	/nfs/dbraw/zinc/74/00/31/552740031.db2.gz	QEQTVJNCAXYEDT-HDICACEKSA-N	1	0	362.518	1.714	20	30		FDEDRO
C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CC2(C#N)CCCCC2)cn1	ZINC000597295032	552771086	/nfs/dbraw/zinc/77/10/86/552771086.db2.gz	XMIAXACLILTHTR-UHFFFAOYSA-N	1	0	360.462	1.364	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCC2(C#N)CCCCC2)CCCO1	ZINC000597303534	552772112	/nfs/dbraw/zinc/77/21/12/552772112.db2.gz	GMHDYAYZIZVVOP-MRXNPFEDSA-N	1	0	364.490	1.194	20	30		FDEDRO
CN1CCC(CNC(=O)CC2(C#N)CCOCC2)([NH+]2CCCCC2)CC1	ZINC000597305326	552772421	/nfs/dbraw/zinc/77/24/21/552772421.db2.gz	UNTNYYOYRIVRDF-UHFFFAOYSA-N	1	0	362.518	1.763	20	30		FDEDRO
CC(C)(CC#N)CNC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1	ZINC000597342271	552777270	/nfs/dbraw/zinc/77/72/70/552777270.db2.gz	LIGMFFKXCZQQEZ-UHFFFAOYSA-N	1	0	364.490	1.050	20	30		FDEDRO
C[NH+](C)CCCN(C(=O)CC1(C#N)CCCCC1)[C@H]1CCS(=O)(=O)C1	ZINC000597361457	552779703	/nfs/dbraw/zinc/77/97/03/552779703.db2.gz	QTPCANPXUBHSOB-INIZCTEOSA-N	1	0	369.531	1.818	20	30		FDEDRO
N#C[C@H]1CC[C@@H](NC(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1	ZINC000597432696	552788626	/nfs/dbraw/zinc/78/86/26/552788626.db2.gz	GSNSVSMPIVBTAJ-HRCADAONSA-N	1	0	371.489	1.401	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@H]3CC34CC[NH2+]CC4)CC2)c1C#N	ZINC000597439374	552789545	/nfs/dbraw/zinc/78/95/45/552789545.db2.gz	IEMCHVUFLLUIDV-AWEZNQCLSA-N	1	0	360.487	1.297	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1	ZINC000598453074	552897313	/nfs/dbraw/zinc/89/73/13/552897313.db2.gz	ODJLVDNDWBUERH-PMACEKPBSA-N	1	0	368.481	1.585	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CCO1	ZINC000598540333	552907320	/nfs/dbraw/zinc/90/73/20/552907320.db2.gz	NZMFVSPTPIUFSZ-KXBFYZLASA-N	1	0	367.490	1.817	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1	ZINC000598584654	552911311	/nfs/dbraw/zinc/91/13/11/552911311.db2.gz	RCXGJNNSCVTTJO-AWEZNQCLSA-N	1	0	371.528	1.792	20	30		FDEDRO
Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C[C@@H](O)CC(C)(C)C#N	ZINC000598590482	552912191	/nfs/dbraw/zinc/91/21/91/552912191.db2.gz	ZQINFPSAXTYBQM-WMLDXEAASA-N	1	0	355.442	1.416	20	30		FDEDRO
CN(C(=O)CN1CCN(C[C@H](O)CC(C)(C)C#N)CC1)C1CCCCC1	ZINC000598588971	552912322	/nfs/dbraw/zinc/91/23/22/552912322.db2.gz	FQRKJRHPTZRZBX-GOSISDBHSA-N	1	0	364.534	1.696	20	30		FDEDRO
COc1ccc([C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)N2CCOCC2)cc1	ZINC000598703016	552927011	/nfs/dbraw/zinc/92/70/11/552927011.db2.gz	AXPFLURFSCDYGU-PKOBYXMFSA-N	1	0	361.486	1.959	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1	ZINC000598724579	552928341	/nfs/dbraw/zinc/92/83/41/552928341.db2.gz	PXKLELDFVPTUED-AWEZNQCLSA-N	1	0	369.462	1.756	20	30		FDEDRO
Cc1cc(C)c(C(=O)NC2CC[NH+](CCC(=O)N(C)CCC#N)CC2)o1	ZINC000598928356	552947573	/nfs/dbraw/zinc/94/75/73/552947573.db2.gz	YYHSRPCEGMCRPJ-UHFFFAOYSA-N	1	0	360.458	1.853	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@H]3C[C@H](C(N)=O)C3)CC2)c1	ZINC000599093156	552966767	/nfs/dbraw/zinc/96/67/67/552966767.db2.gz	PIGNFLRTXDPLGX-JCNLHEQBSA-N	1	0	355.442	1.086	20	30		FDEDRO
C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1	ZINC000599212831	552987833	/nfs/dbraw/zinc/98/78/33/552987833.db2.gz	IDHNPRCFRSMMSJ-BZSNNMDCSA-N	1	0	374.533	1.920	20	30		FDEDRO
CCN(C[C@@H](O)COc1ccccc1C#N)[C@H](C)CS(=O)(=O)CC	ZINC000599293129	553017784	/nfs/dbraw/zinc/01/77/84/553017784.db2.gz	OHKRCTPIKZUDPN-GDBMZVCRSA-N	1	0	354.472	1.443	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)CCOCC1	ZINC000599320017	553025414	/nfs/dbraw/zinc/02/54/14/553025414.db2.gz	PRHGDQUKAFGEBY-UONOGXRCSA-N	1	0	350.381	1.693	20	30		FDEDRO
COC(=O)c1ccc2c(c1)C[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)CC2	ZINC000599346456	553033329	/nfs/dbraw/zinc/03/33/29/553033329.db2.gz	KDNYIBBQAPDQDS-GOSISDBHSA-N	1	0	358.438	1.903	20	30		FDEDRO
C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CC1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000599347836	553033759	/nfs/dbraw/zinc/03/37/59/553033759.db2.gz	BNRNIKOUNGAYQB-UKRRQHHQSA-N	1	0	351.472	1.642	20	30		FDEDRO
COC(=O)C[C@](C)([NH2+]C[C@H](O)COc1ccccc1C#N)c1ccccn1	ZINC000599382067	553041015	/nfs/dbraw/zinc/04/10/15/553041015.db2.gz	SDEHHIVSCKSAOO-JXFKEZNVSA-N	1	0	369.421	1.761	20	30		FDEDRO
N#CC1(C[C@@H](O)CN2CCO[C@H](COc3ccccc3)C2)CCOCC1	ZINC000599391645	553043453	/nfs/dbraw/zinc/04/34/53/553043453.db2.gz	PFVPSYIGEWYJOI-MJGOQNOKSA-N	1	0	360.454	1.838	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)CCOCC1	ZINC000599414837	553052038	/nfs/dbraw/zinc/05/20/38/553052038.db2.gz	JRDCMERWWOJMML-DZGCQCFKSA-N	1	0	350.381	1.837	20	30		FDEDRO
CC(C)OCCOC1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1	ZINC000599435731	553055815	/nfs/dbraw/zinc/05/58/15/553055815.db2.gz	ZZTRABHFGVVOFS-QGZVFWFLSA-N	1	0	354.491	1.964	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)CCOCC1	ZINC000599436534	553055866	/nfs/dbraw/zinc/05/58/66/553055866.db2.gz	KVSRLLZCFGCIDO-FGTMMUONSA-N	1	0	357.454	1.259	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]C2(C(N)=O)C3CC4CC(C3)CC2C4)CCOCC1	ZINC000599436825	553055931	/nfs/dbraw/zinc/05/59/31/553055931.db2.gz	ACSKJUOPLQUIQZ-ITNKIWFMSA-N	1	0	361.486	1.328	20	30		FDEDRO
COC(=O)[C@]1(C)CCC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000599438334	553056673	/nfs/dbraw/zinc/05/66/73/553056673.db2.gz	XGARDESVRPFJAL-HXUWFJFHSA-N	1	0	354.406	1.561	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H](C1CCOCC1)C1(CO)CCC1	ZINC000599439746	553057114	/nfs/dbraw/zinc/05/71/14/553057114.db2.gz	DNOBVQQOLNQOBS-AZUAARDMSA-N	1	0	374.481	1.845	20	30		FDEDRO
CC[NH+](CC)CCS(=O)(=O)NC1(c2ccc(C#N)cc2)CCOCC1	ZINC000599467981	553066040	/nfs/dbraw/zinc/06/60/40/553066040.db2.gz	QWZALRRBCQFIOD-UHFFFAOYSA-N	1	0	365.499	1.825	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@H+](CCN1CCOCC1)CC1CC1	ZINC000599474687	553067858	/nfs/dbraw/zinc/06/78/58/553067858.db2.gz	AXJQKXHJHGDCET-LJQANCHMSA-N	1	0	359.470	1.342	20	30		FDEDRO
C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)C[NH2+]1	ZINC000599896222	553170237	/nfs/dbraw/zinc/17/02/37/553170237.db2.gz	NPRIMTPLWUQEFC-RISCZKNCSA-N	1	0	369.450	1.877	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1C#N	ZINC000599900434	553171361	/nfs/dbraw/zinc/17/13/61/553171361.db2.gz	PZRSZRJGIZSKFC-AAEUAGOBSA-N	1	0	368.359	1.791	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(F)c1	ZINC000599911715	553173147	/nfs/dbraw/zinc/17/31/47/553173147.db2.gz	FFWXWSNEQCKXMR-KRWDZBQOSA-N	1	0	360.433	1.997	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)cc1C#N	ZINC000599938922	553178874	/nfs/dbraw/zinc/17/88/74/553178874.db2.gz	JZMDBIGTSAAFGR-STQMWFEESA-N	1	0	360.389	1.387	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c(F)cc1C#N	ZINC000599984888	553193517	/nfs/dbraw/zinc/19/35/17/553193517.db2.gz	KGKAPFKETPCUFO-IBGZPJMESA-N	1	0	374.416	1.589	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c(F)cc1C#N	ZINC000599992475	553195458	/nfs/dbraw/zinc/19/54/58/553195458.db2.gz	NWWWGOKTGIUMKT-GFCCVEGCSA-N	1	0	362.405	1.633	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c1C#N	ZINC000600049517	553208447	/nfs/dbraw/zinc/20/84/47/553208447.db2.gz	YHHYMYZPKCHKDF-UHFFFAOYSA-N	1	0	370.453	1.519	20	30		FDEDRO
CCCNC(=O)c1cccc(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)c1	ZINC000600716227	553306149	/nfs/dbraw/zinc/30/61/49/553306149.db2.gz	IVQPFHLLVRQFKM-GOSISDBHSA-N	1	0	359.470	1.987	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]Cc2ccc(CN3CCCC3=O)cc2)CCOCC1	ZINC000600717878	553306614	/nfs/dbraw/zinc/30/66/14/553306614.db2.gz	CRXWRSIAYXHDKJ-LJQANCHMSA-N	1	0	371.481	1.970	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]Cc2cccc(C(=O)NC3CC3)c2)CCOCC1	ZINC000600718159	553306789	/nfs/dbraw/zinc/30/67/89/553306789.db2.gz	WACICDDEDMESCE-SFHVURJKSA-N	1	0	357.454	1.740	20	30		FDEDRO
C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C(=O)N1c1ccccc1	ZINC000600724432	553307603	/nfs/dbraw/zinc/30/76/03/553307603.db2.gz	OKBGIDSNPYWOPA-BPQIPLTHSA-N	1	0	357.454	1.841	20	30		FDEDRO
CCOc1ccc(NC(=O)C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)cc1	ZINC000600723732	553307634	/nfs/dbraw/zinc/30/76/34/553307634.db2.gz	ZJZADMXRQHBZQO-INIZCTEOSA-N	1	0	361.442	1.685	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)CCOCC1	ZINC000600723231	553307710	/nfs/dbraw/zinc/30/77/10/553307710.db2.gz	WSOADSIGFNTPGY-QZTJIDSGSA-N	1	0	357.454	1.448	20	30		FDEDRO
Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1	ZINC000600740776	553309752	/nfs/dbraw/zinc/30/97/52/553309752.db2.gz	BFKKCOUJXMVNKC-ROUUACIJSA-N	1	0	362.470	1.704	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)CCOCC1	ZINC000600742543	553309852	/nfs/dbraw/zinc/30/98/52/553309852.db2.gz	WTUFROPPQOHQHX-ZWKOTPCHSA-N	1	0	372.469	1.954	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](n1cccn1)C(F)(F)F	ZINC000600749395	553311002	/nfs/dbraw/zinc/31/10/02/553311002.db2.gz	XPSCDBAGPCWYNQ-DZGCQCFKSA-N	1	0	354.332	1.888	20	30		FDEDRO
COc1ccc(CN2CC[C@@H]2C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)cc1	ZINC000600760287	553312198	/nfs/dbraw/zinc/31/21/98/553312198.db2.gz	QYVPMEZBCLDCHG-RTBURBONSA-N	1	0	373.497	1.930	20	30		FDEDRO
Cn1c2cc(C[NH2+]C[C@H](O)COc3ccc(CC#N)cc3)ccc2oc1=O	ZINC000600759500	553312339	/nfs/dbraw/zinc/31/23/39/553312339.db2.gz	ZNYWAJHCUIZNHY-INIZCTEOSA-N	1	0	367.405	1.727	20	30		FDEDRO
COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1	ZINC000601146031	553352440	/nfs/dbraw/zinc/35/24/40/553352440.db2.gz	ZSXBIGTZKMQVAQ-KBPBESRZSA-N	1	0	358.442	1.183	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(Nc3c(C#N)nnc4ccccc43)CC2)C1=O	ZINC000601176157	553356309	/nfs/dbraw/zinc/35/63/09/553356309.db2.gz	GWTXUXHFMUNXFK-KRWDZBQOSA-N	1	0	350.426	1.608	20	30		FDEDRO
Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCN(CCC#N)CC1	ZINC000601257571	553365203	/nfs/dbraw/zinc/36/52/03/553365203.db2.gz	SOUWHYRCQOWUGG-UHFFFAOYSA-N	1	0	370.501	1.810	20	30		FDEDRO
N#CCc1ccccc1S(=O)(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000601341920	553379965	/nfs/dbraw/zinc/37/99/65/553379965.db2.gz	LVKGUEIZANBMHU-YESZJQIVSA-N	1	0	363.483	1.660	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccccc1CC#N	ZINC000601377004	553388790	/nfs/dbraw/zinc/38/87/90/553388790.db2.gz	YLJOTDWSRRAPLJ-IXDOHACOSA-N	1	0	363.483	1.625	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OC(F)(F)F	ZINC000601576074	553438410	/nfs/dbraw/zinc/43/84/10/553438410.db2.gz	SZZOSVWOXZAAAJ-TXEJJXNPSA-N	1	0	368.315	1.358	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCCn1cnc(C#N)n1	ZINC000601600363	553443327	/nfs/dbraw/zinc/44/33/27/553443327.db2.gz	CDZBECKWQLTUDE-NVXWUHKLSA-N	1	0	367.457	1.217	20	30		FDEDRO
C=C(C)C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)C(=O)OC	ZINC000601783887	553474920	/nfs/dbraw/zinc/47/49/20/553474920.db2.gz	ZAIQOFLHTGLGBJ-MRXNPFEDSA-N	1	0	360.458	1.218	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12	ZINC000601970656	553497649	/nfs/dbraw/zinc/49/76/49/553497649.db2.gz	XLXSHQWRTYZRDP-XLNGHYISSA-N	1	0	364.287	1.883	20	30		FDEDRO
CN1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H](CO)C1	ZINC000602904134	553665433	/nfs/dbraw/zinc/66/54/33/553665433.db2.gz	LXAKNKJYFQGMAZ-CYBMUJFWSA-N	1	0	362.499	1.435	20	30		FDEDRO
COC(=O)CCN1CCC[C@@H]([NH+]2CCC(c3ccc(C#N)cn3)CC2)C1=O	ZINC000602906643	553665888	/nfs/dbraw/zinc/66/58/88/553665888.db2.gz	LQEXEXZIMZLWBI-GOSISDBHSA-N	1	0	370.453	1.687	20	30		FDEDRO
COCc1ncc2c(n1)CC[N@@H+](CCC(=O)Nc1ccccc1C#N)C2	ZINC000602928747	553671816	/nfs/dbraw/zinc/67/18/16/553671816.db2.gz	QLKNFNYSGKBYDX-UHFFFAOYSA-N	1	0	351.410	1.882	20	30		FDEDRO
N#Cc1ccc(N2CCC(C(=O)N[C@@H](CO)C[NH+]3CCCC3)CC2)c(F)c1	ZINC000603052150	553701717	/nfs/dbraw/zinc/70/17/17/553701717.db2.gz	IAMCCUIEXGYKFB-QGZVFWFLSA-N	1	0	374.460	1.487	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F	ZINC000603142775	553714958	/nfs/dbraw/zinc/71/49/58/553714958.db2.gz	FHESUBLRQOFXSK-UBHSHLNASA-N	1	0	373.375	1.511	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)Cn2cc([C@@H](C)[NH2+]C)nn2)cc1	ZINC000603173066	553721510	/nfs/dbraw/zinc/72/15/10/553721510.db2.gz	LBUFPWHUTPZBGF-CQSZACIVSA-N	1	0	356.430	1.904	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)n1cc(C[C@@H]2CC[NH2+]C2)nn1	ZINC000603175862	553722921	/nfs/dbraw/zinc/72/29/21/553722921.db2.gz	MVJWPZOKAGPECE-HOTGVXAUSA-N	1	0	352.442	1.938	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)n1cc(CN2CC[NH2+]CC2)nn1	ZINC000603179169	553723779	/nfs/dbraw/zinc/72/37/79/553723779.db2.gz	UCDBPPAZAJPTOZ-MRXNPFEDSA-N	1	0	367.457	1.191	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)Cn2cc(C[C@@H]3CC[NH2+]C3)nn2)c1	ZINC000603186908	553726434	/nfs/dbraw/zinc/72/64/34/553726434.db2.gz	LGPPFCPBDXQBOJ-KRWDZBQOSA-N	1	0	366.469	1.994	20	30		FDEDRO
C[C@@H]1COCC[C@H]1S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000603278534	553751631	/nfs/dbraw/zinc/75/16/31/553751631.db2.gz	YGHQTSLSUUSKRC-CRAIPNDOSA-N	1	0	365.499	1.677	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(CS(N)(=O)=O)c1	ZINC000603316933	553763516	/nfs/dbraw/zinc/76/35/16/553763516.db2.gz	DKDWVWJFGSZFID-HNAYVOBHSA-N	1	0	374.510	1.800	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000603320458	553763987	/nfs/dbraw/zinc/76/39/87/553763987.db2.gz	VLRMHKGKOCYXRK-GOSISDBHSA-N	1	0	364.453	1.662	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)NCCCN1CCC[N@@H+](C)CC1	ZINC000603403323	553780705	/nfs/dbraw/zinc/78/07/05/553780705.db2.gz	OCOFUMXWZZOARA-UHFFFAOYSA-N	1	0	350.488	1.173	20	30		FDEDRO
CC1(C#N)CCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1	ZINC000603436595	553788258	/nfs/dbraw/zinc/78/82/58/553788258.db2.gz	OGLZTVHSSVOHOZ-QGZVFWFLSA-N	1	0	363.506	1.118	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)CN2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1	ZINC000603848400	553821036	/nfs/dbraw/zinc/82/10/36/553821036.db2.gz	RTOCXBGZHBXTFF-PZJWPPBQSA-N	1	0	373.497	1.679	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1ccc(NC(=O)CNc2ccc(C#N)cc2)cc1	ZINC000604446035	553878070	/nfs/dbraw/zinc/87/80/70/553878070.db2.gz	AFCYLBRAUUHGNF-UHFFFAOYSA-N	1	0	365.437	1.900	20	30		FDEDRO
C[C@H](CC[NH+](C)C)NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000604485059	553881084	/nfs/dbraw/zinc/88/10/84/553881084.db2.gz	NYKCNVWCQPNFOP-CYBMUJFWSA-N	1	0	360.462	1.595	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000604543303	553886814	/nfs/dbraw/zinc/88/68/14/553886814.db2.gz	BZOBUHSFTIYORG-INIZCTEOSA-N	1	0	357.458	1.947	20	30		FDEDRO
N#Cc1ccc(CSCC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1	ZINC000608867026	554326222	/nfs/dbraw/zinc/32/62/22/554326222.db2.gz	IVIRCUHJNMHYCS-QGZVFWFLSA-N	1	0	374.510	1.495	20	30		FDEDRO
COCC[N@@H+]1CCCN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC1	ZINC000609110235	554337947	/nfs/dbraw/zinc/33/79/47/554337947.db2.gz	ZDNHCMHOHASNLO-LJQANCHMSA-N	1	0	356.470	1.708	20	30		FDEDRO
CC[NH+]1CCN(CCCNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC1	ZINC000609112781	554338461	/nfs/dbraw/zinc/33/84/61/554338461.db2.gz	TZXCDAXJMLSZOJ-HXUWFJFHSA-N	1	0	369.513	1.671	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000609202880	554348823	/nfs/dbraw/zinc/34/88/23/554348823.db2.gz	ZLCPVCZYRHBPKE-KRWDZBQOSA-N	1	0	368.441	1.167	20	30		FDEDRO
CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)N1CCO[C@H](C#N)C1	ZINC000609282931	554358943	/nfs/dbraw/zinc/35/89/43/554358943.db2.gz	HKXKNKGRHXAHIV-OAHLLOKOSA-N	1	0	374.441	1.097	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNC(=O)C(=O)Nc2cccc(C#N)c2)CC1	ZINC000609357264	554372461	/nfs/dbraw/zinc/37/24/61/554372461.db2.gz	RIMAWMQFUPOWID-UHFFFAOYSA-N	1	0	358.442	1.502	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000609620106	554403470	/nfs/dbraw/zinc/40/34/70/554403470.db2.gz	MDGAMAVAUBYORM-FPOVZHCZSA-N	1	0	370.497	1.316	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCc3ccc(C#N)cc3F)CC2)C1	ZINC000609685932	554411777	/nfs/dbraw/zinc/41/17/77/554411777.db2.gz	ATAZYNXCAIPXMM-QGZVFWFLSA-N	1	0	359.449	1.619	20	30		FDEDRO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[NH+](C(C)(C)CO)CC1	ZINC000609845852	554428563	/nfs/dbraw/zinc/42/85/63/554428563.db2.gz	JIPFFYPJLRXBET-CYBMUJFWSA-N	1	0	364.877	1.927	20	30		FDEDRO
CCO[C@@H]1C[C@H](O)C12CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2	ZINC000610162125	554470190	/nfs/dbraw/zinc/47/01/90/554470190.db2.gz	WQAPPUOTJVSGQV-HPFXQQBRSA-N	1	0	351.491	1.681	20	30		FDEDRO
N#Cc1ccc(CNC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1	ZINC000610163892	554470529	/nfs/dbraw/zinc/47/05/29/554470529.db2.gz	IUUCMEDEFKYIAH-NRFANRHFSA-N	1	0	364.449	1.994	20	30		FDEDRO
CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1	ZINC000610345932	554493907	/nfs/dbraw/zinc/49/39/07/554493907.db2.gz	CWXXYUXIKSCJLW-ZQIUZPCESA-N	1	0	363.483	1.633	20	30		FDEDRO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[NH+](C(C)(C)CO)CC1	ZINC000610481162	554516711	/nfs/dbraw/zinc/51/67/11/554516711.db2.gz	LTSKPJVSKXJDPV-OHTSDLOESA-N	1	0	364.534	1.694	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1	ZINC000610527113	554522795	/nfs/dbraw/zinc/52/27/95/554522795.db2.gz	JXOUZJGBWULVQD-UYAOXDASSA-N	1	0	368.481	1.708	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC1	ZINC000610762544	554559176	/nfs/dbraw/zinc/55/91/76/554559176.db2.gz	GXNDBMNGLJWTPH-LJQANCHMSA-N	1	0	370.497	1.879	20	30		FDEDRO
C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CCCC[NH+](C)C	ZINC000610808978	554565318	/nfs/dbraw/zinc/56/53/18/554565318.db2.gz	WGAQIFLGGWVEIE-CQSZACIVSA-N	1	0	366.487	1.025	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)n(CCC#N)n1	ZINC000611003961	554592832	/nfs/dbraw/zinc/59/28/32/554592832.db2.gz	TXHWLTZLBZZLKX-UHFFFAOYSA-N	1	0	360.462	1.280	20	30		FDEDRO
COC(=O)c1cccc(CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1C#N	ZINC000611244293	554619066	/nfs/dbraw/zinc/61/90/66/554619066.db2.gz	PDEODCJOYIVMTH-SFHVURJKSA-N	1	0	370.453	1.259	20	30		FDEDRO
N#Cc1ccc(OC2CCC(NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)CC2)nc1	ZINC000611261529	554620241	/nfs/dbraw/zinc/62/02/41/554620241.db2.gz	YPENZMAFYRLKRP-ABHNRTSZSA-N	1	0	369.469	1.149	20	30		FDEDRO
CC[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1OCC(=O)NC	ZINC000611379676	554629865	/nfs/dbraw/zinc/62/98/65/554629865.db2.gz	AIUASMBFIMSOAU-UZLBHIALSA-N	1	0	374.485	1.907	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1	ZINC000612581273	554809785	/nfs/dbraw/zinc/80/97/85/554809785.db2.gz	RAYZSFQOMRYDRB-OKZBNKHCSA-N	1	0	351.491	1.341	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)[nH]c2C(=O)OC)CC1	ZINC000612718191	554829414	/nfs/dbraw/zinc/82/94/14/554829414.db2.gz	IWWBFLYGZGDMDT-UHFFFAOYSA-N	1	0	362.430	1.205	20	30		FDEDRO
CC[C@@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1ccccc1OCC(=O)NC	ZINC000615229169	555175782	/nfs/dbraw/zinc/17/57/82/555175782.db2.gz	WCRKNMMDOLISLL-OAHLLOKOSA-N	1	0	358.442	1.415	20	30		FDEDRO
CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[C@@](F)(C#N)C3)c2)CC1	ZINC000615632774	555223186	/nfs/dbraw/zinc/22/31/86/555223186.db2.gz	IZVAAOIIAMSMBX-LJQANCHMSA-N	1	0	373.432	1.231	20	30		FDEDRO
Cn1cc(C#N)c(=NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)[nH]1	ZINC000617589524	555470230	/nfs/dbraw/zinc/47/02/30/555470230.db2.gz	CYVDUQGVDKVLNG-QGZVFWFLSA-N	1	0	368.441	1.704	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CC[NH+](C[C@H]2CNc3ccnn3C2)CC1	ZINC000619264118	555747113	/nfs/dbraw/zinc/74/71/13/555747113.db2.gz	AWTLYXBCTZUIPA-CYBMUJFWSA-N	1	0	353.430	1.484	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N1CCN(Cc2cc3ccccc3[nH]2)CC1	ZINC000623862180	556502677	/nfs/dbraw/zinc/50/26/77/556502677.db2.gz	OCCHHBSHFBAMIP-UHFFFAOYSA-N	1	0	355.442	1.297	20	30		FDEDRO
C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000624837131	556651811	/nfs/dbraw/zinc/65/18/11/556651811.db2.gz	ODALDEKSCMOMML-IXDOHACOSA-N	1	0	361.490	1.863	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCC[N@@H+](C)C2)c1	ZINC000625422286	556802975	/nfs/dbraw/zinc/80/29/75/556802975.db2.gz	QIZNIKJIJQKCPQ-OAHLLOKOSA-N	1	0	365.499	1.613	20	30		FDEDRO
C=CCC1([NH2+]CC(=O)c2c(N)n(CCOC)c(=O)[nH]c2=O)CCCCC1	ZINC000625935602	556954843	/nfs/dbraw/zinc/95/48/43/556954843.db2.gz	GKCYDJPJTHNHIE-UHFFFAOYSA-N	1	0	364.446	1.229	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)C(=O)N(CC)CC[NH3+]	ZINC000626852527	557197151	/nfs/dbraw/zinc/19/71/51/557197151.db2.gz	KHPUKFUAVVGICN-UHFFFAOYSA-N	1	0	370.247	1.760	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1	ZINC000627434779	557400721	/nfs/dbraw/zinc/40/07/21/557400721.db2.gz	SQBLQCWYJCHQQS-CVEARBPZSA-N	1	0	351.491	1.450	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2COCCN2C)c(OC)c1	ZINC000629599604	557815986	/nfs/dbraw/zinc/81/59/86/557815986.db2.gz	JVYRCUYKPWPVAC-IAGOWNOFSA-N	1	0	350.459	1.084	20	30		FDEDRO
C=CCn1c(COCCOC)nnc1N1CCC[N@@H+](C(C)(C)C)CC1	ZINC000634339023	558452020	/nfs/dbraw/zinc/45/20/20/558452020.db2.gz	USQMYSNAEIJCCK-UHFFFAOYSA-N	1	0	351.495	1.938	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2c3c(ccc2F)OCO3)CC1	ZINC000635049972	558564402	/nfs/dbraw/zinc/56/44/02/558564402.db2.gz	BILQWYPRJUVBGF-UHFFFAOYSA-N	1	0	363.389	1.650	20	30		FDEDRO
C=CCN(C(=O)CN(C)CCc1ccccc1)[C@H]1CCS(=O)(=O)C1	ZINC000635402904	558675099	/nfs/dbraw/zinc/67/50/99/558675099.db2.gz	WLLQOABNNZGSMI-KRWDZBQOSA-N	1	0	350.484	1.363	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000636834086	568124342	/nfs/dbraw/zinc/12/43/42/568124342.db2.gz	SYVSFOONVLZCLK-IAGOWNOFSA-N	1	0	365.518	1.589	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)C2)nc1	ZINC000291652443	568241812	/nfs/dbraw/zinc/24/18/12/568241812.db2.gz	NYGHDJQZTXRFSB-BRWVUGGUSA-N	1	0	355.442	1.743	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000637184532	568538265	/nfs/dbraw/zinc/53/82/65/568538265.db2.gz	PEVBAOXNJKWJNK-MJGOQNOKSA-N	1	0	373.497	1.532	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000637196295	568576243	/nfs/dbraw/zinc/57/62/43/568576243.db2.gz	RFSJSPNQBFTVDE-IYBDPMFKSA-N	1	0	353.507	1.711	20	30		FDEDRO
C#CCCOc1ccc(C[NH2+][C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1	ZINC000271982435	674402176	/nfs/dbraw/zinc/40/21/76/674402176.db2.gz	JSEOTLZSBRGPHM-IEBWSBKVSA-N	1	0	363.479	1.915	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCC[NH+](C)C)cc1	ZINC000272319429	674431775	/nfs/dbraw/zinc/43/17/75/674431775.db2.gz	AHEHTDOEJOKJRG-CYVLTUHYSA-N	1	0	367.475	1.183	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H](NC(=O)C1CC1)[C@@H](C)O)C(C)C	ZINC000272518309	674453302	/nfs/dbraw/zinc/45/33/02/674453302.db2.gz	VOIZSCITKXPWPP-DJIMGWMZSA-N	1	0	351.491	1.077	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H](NC(=O)C1CC1)[C@@H](C)O)C(C)C	ZINC000272518313	674453319	/nfs/dbraw/zinc/45/33/19/674453319.db2.gz	VOIZSCITKXPWPP-OIISXLGYSA-N	1	0	351.491	1.077	20	30		FDEDRO
N#Cc1cccc(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1	ZINC000737730030	599400464	/nfs/dbraw/zinc/40/04/64/599400464.db2.gz	DOPQKGHAGCCAFK-UHFFFAOYSA-N	1	0	360.425	1.846	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)NCc1ccccc1C[NH+](CC)CC	ZINC000272835050	674479283	/nfs/dbraw/zinc/47/92/83/674479283.db2.gz	LQWAKEVFKXVFHC-UHFFFAOYSA-N	1	0	367.515	1.928	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@@H](CC)c1ccccc1OCC(=O)N(C)C	ZINC000272923182	674488667	/nfs/dbraw/zinc/48/86/67/674488667.db2.gz	YJAFYEUSPLJHSU-INIZCTEOSA-N	1	0	368.499	1.795	20	30		FDEDRO
N#Cc1cnn2c1NC[C@H](C[NH2+]C1(c3cccc(-c4nn[nH]n4)c3)CC1)C2	ZINC000826387599	607705258	/nfs/dbraw/zinc/70/52/58/607705258.db2.gz	FOTFLYOXJQZWDZ-GFCCVEGCSA-N	1	0	361.413	1.255	20	30		FDEDRO
C=CC[C@H](CO)[NH2+]Cc1ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c1	ZINC000273355879	674530598	/nfs/dbraw/zinc/53/05/98/674530598.db2.gz	BVDMUIXNKYEKLP-GOEBONIOSA-N	1	0	350.459	1.967	20	30		FDEDRO
C=CCC[C@@H](O)C[N@@H+]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000819734841	606744535	/nfs/dbraw/zinc/74/45/35/606744535.db2.gz	VKTAHFWAVMHFOS-GOSISDBHSA-N	1	0	356.474	1.702	20	30		FDEDRO
N#Cc1ccncc1N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000826387540	607839190	/nfs/dbraw/zinc/83/91/90/607839190.db2.gz	AJNKGHPRKVFAFX-UHFFFAOYSA-N	1	0	360.425	1.846	20	30		FDEDRO
C=CC[N@@H+](CCCNC(=O)C(F)(F)F)Cc1cccc(-c2nn[nH]n2)c1	ZINC000823903670	608108061	/nfs/dbraw/zinc/10/80/61/608108061.db2.gz	HBGZUNYUVHRMPT-UHFFFAOYSA-N	1	0	368.363	1.923	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1cccc(-c2nn[nH]n2)c1	ZINC000824554400	608492101	/nfs/dbraw/zinc/49/21/01/608492101.db2.gz	PHZABWNDPFTEPD-ZDUSSCGKSA-N	1	0	353.430	1.860	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2cc(C)cc(Cl)n2)CC1	ZINC000286444136	675895706	/nfs/dbraw/zinc/89/57/06/675895706.db2.gz	HECFGZMKTGGUEY-UHFFFAOYSA-N	1	0	350.850	1.426	20	30		FDEDRO
C[NH+](C)CCCOC1CCN(S(=O)(=O)c2cccnc2C#N)CC1	ZINC000277176016	674877539	/nfs/dbraw/zinc/87/75/39/674877539.db2.gz	NAECBJGIJFRKBK-UHFFFAOYSA-N	1	0	352.460	1.075	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)NCc1ccccc1OCC[NH+](C)C	ZINC000286610530	675897571	/nfs/dbraw/zinc/89/75/71/675897571.db2.gz	XWYIFJSIVZEMCH-UHFFFAOYSA-N	1	0	365.499	1.279	20	30		FDEDRO
C[NH+]=C(NCCSc1ccccc1)N1CCN(c2ncccn2)CC1	ZINC000073446768	671401454	/nfs/dbraw/zinc/40/14/54/671401454.db2.gz	PMRSLFOZSGWQBS-UHFFFAOYSA-N	1	0	356.499	1.966	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)CC1	ZINC000081463194	671466504	/nfs/dbraw/zinc/46/65/04/671466504.db2.gz	GPAROOHKZOMINU-UHFFFAOYSA-N	1	0	359.392	1.249	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1	ZINC000287161731	675913102	/nfs/dbraw/zinc/91/31/02/675913102.db2.gz	CYSDFGVXSOXTDQ-UHFFFAOYSA-N	1	0	351.422	1.212	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCCn2cc(Br)cn2)CC1	ZINC000287535656	675917576	/nfs/dbraw/zinc/91/75/76/675917576.db2.gz	USLCTVBLFOTKRS-UHFFFAOYSA-N	1	0	356.268	1.595	20	30		FDEDRO
C=C(Br)CNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1	ZINC000119031566	671669815	/nfs/dbraw/zinc/66/98/15/671669815.db2.gz	VLJGBIGKKJISHN-UONOGXRCSA-N	1	0	360.296	1.962	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)N1CCS[C@H](CC)C1	ZINC000123654464	671728430	/nfs/dbraw/zinc/72/84/30/671728430.db2.gz	CHGGUCFAQUSVAN-UONOGXRCSA-N	1	0	362.565	1.061	20	30		FDEDRO
COCC[N@H+]1[C@H](C)CN(CCC(=O)Nc2sccc2C#N)C[C@@H]1C	ZINC000128925328	671782040	/nfs/dbraw/zinc/78/20/40/671782040.db2.gz	NJLQOHUYHKZZRY-OKILXGFUSA-N	1	0	350.488	1.989	20	30		FDEDRO
CC[NH+]=C(NCCN1CCOCC1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2	ZINC000130407912	671794293	/nfs/dbraw/zinc/79/42/93/671794293.db2.gz	XOGKUXRUTPCNQG-BBWFWOEESA-N	1	0	350.507	1.221	20	30		FDEDRO
CC[NH+]=C(NCC1(SC)CCOCC1)N[C@@H]1CCc2nc(C)nn2C1	ZINC000130533078	671795436	/nfs/dbraw/zinc/79/54/36/671795436.db2.gz	JHSFFLFNYIVUJW-CQSZACIVSA-N	1	0	366.535	1.369	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cccc(NS(C)(=O)=O)c1	ZINC000134032349	671825420	/nfs/dbraw/zinc/82/54/20/671825420.db2.gz	KDCWMZAEHPDEFA-CQSZACIVSA-N	1	0	352.456	1.949	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)cc1Cl	ZINC000134113171	671826135	/nfs/dbraw/zinc/82/61/35/671826135.db2.gz	GQKXMTPLRBUEDC-GXFFZTMASA-N	1	0	374.894	1.793	20	30		FDEDRO
CN(C)C(NCc1ccccc1)=[NH+]CCNS(=O)(=O)c1cccs1	ZINC000160480810	672002132	/nfs/dbraw/zinc/00/21/32/672002132.db2.gz	QXDHEVFYZZROQZ-UHFFFAOYSA-N	1	0	366.512	1.734	20	30		FDEDRO
CC(C)(C)OC(=O)NC[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)C1CC1	ZINC000185207058	672257409	/nfs/dbraw/zinc/25/74/09/672257409.db2.gz	NWVCLFDGUZSGHL-KSSFIOAISA-N	1	0	350.463	1.688	20	30		FDEDRO
C[C@@H]1CCCN(C(=[NH2+])NCc2ccc(N3CCCS3(=O)=O)cc2)C1	ZINC000185587472	672261628	/nfs/dbraw/zinc/26/16/28/672261628.db2.gz	LMGJLNVLOOYLBC-CQSZACIVSA-N	1	0	350.488	1.773	20	30		FDEDRO
Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)OCC(F)(F)C(F)F	ZINC000195327659	672402397	/nfs/dbraw/zinc/40/23/97/672402397.db2.gz	FKESQZKWYODOBM-UHFFFAOYSA-N	1	0	361.361	1.667	20	30		FDEDRO
CCCCCCCS(=O)(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000195423553	672404126	/nfs/dbraw/zinc/40/41/26/672404126.db2.gz	SPSWVFIMJZBMIH-MRXNPFEDSA-N	1	0	359.536	1.525	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC)C[C@@H]2C)c1	ZINC000288570666	676023498	/nfs/dbraw/zinc/02/34/98/676023498.db2.gz	UNVQZXDPABFLDE-AWEZNQCLSA-N	1	0	351.472	1.317	20	30		FDEDRO
C[NH+]1CCC(n2c(=O)c(=Cc3ccccc3)sc2=C(C#N)C#N)CC1	ZINC000255562621	672621884	/nfs/dbraw/zinc/62/18/84/672621884.db2.gz	VZPZAIDARCXDTO-UHFFFAOYSA-N	1	0	350.447	1.203	20	30		FDEDRO
CC[NH+]=C(NCc1cnn(C)c1)N1CCN(c2nc(CC)ns2)CC1	ZINC000261687731	672651261	/nfs/dbraw/zinc/65/12/61/672651261.db2.gz	DUYXNOPLEFJAST-UHFFFAOYSA-N	1	0	362.507	1.122	20	30		FDEDRO
CC[NH+]=C(NCCC(F)(F)F)N1CCC([C@]2(C)NC(=O)NC2=O)CC1	ZINC000261708133	672656119	/nfs/dbraw/zinc/65/61/19/672656119.db2.gz	GZHMUSNUQQZZEJ-AWEZNQCLSA-N	1	0	363.384	1.214	20	30		FDEDRO
C[NH+]=C(NCCn1ccnc1C)N(C)Cc1cc(Br)cn1C	ZINC000261711632	672656630	/nfs/dbraw/zinc/65/66/30/672656630.db2.gz	HHCSIBGWSLKGDZ-UHFFFAOYSA-N	1	0	367.295	2.000	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C)C[C@H]2C[NH3+])c1	ZINC000261731562	672660614	/nfs/dbraw/zinc/66/06/14/672660614.db2.gz	HTIADBPZPZBBSW-ZFWWWQNUSA-N	1	0	351.472	1.350	20	30		FDEDRO
CC[C@@H]1CN(C(NCCNS(=O)(=O)c2ccccc2)=[NH+]C)CCS1	ZINC000261745900	672663467	/nfs/dbraw/zinc/66/34/67/672663467.db2.gz	BVNZTQVLMBXVFO-CQSZACIVSA-N	1	0	370.544	1.368	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCC[C@H](C)C1)N1CCN(C(C)(C)C(N)=O)CC1	ZINC000261747167	672663960	/nfs/dbraw/zinc/66/39/60/672663960.db2.gz	NANPQIORCGXITD-JKSUJKDBSA-N	1	0	351.539	1.660	20	30		FDEDRO
C[NH+]=C(NCCS(C)(=O)=O)N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1	ZINC000261805042	672674860	/nfs/dbraw/zinc/67/48/60/672674860.db2.gz	RWJQDXMUVZSLRH-IUODEOHRSA-N	1	0	357.451	1.208	20	30		FDEDRO
C[NH+]=C(NCCc1csc(C)n1)N1CCN(C[C@H]2CCOC2)CC1	ZINC000261808515	672675699	/nfs/dbraw/zinc/67/56/99/672675699.db2.gz	SKWAVWLRIKFOPP-OAHLLOKOSA-N	1	0	351.520	1.224	20	30		FDEDRO
C[NH+]=C(NC[C@H](C)N1CCC[C@H](C)C1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261943239	672698878	/nfs/dbraw/zinc/69/88/78/672698878.db2.gz	FBIYEYHXZPTNPB-GJZGRUSLSA-N	1	0	358.552	1.191	20	30		FDEDRO
C[NH+]=C(NCc1ccc(NS(C)(=O)=O)cc1)N1CC[C@]2(CCOC2)C1	ZINC000261981347	672706486	/nfs/dbraw/zinc/70/64/86/672706486.db2.gz	OXSOKYWDHGWGPD-KRWDZBQOSA-N	1	0	366.487	1.246	20	30		FDEDRO
[NH2+]=C(NCc1cc(Cl)ccc1N1CCOCC1)NC[C@@H]1CCCO1	ZINC000262182168	672742126	/nfs/dbraw/zinc/74/21/26/672742126.db2.gz	QCHAKKGXJIXOAL-HNNXBMFYSA-N	1	0	352.866	1.760	20	30		FDEDRO
CC(C)C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCOC(C)(C)C1	ZINC000262327583	672770761	/nfs/dbraw/zinc/77/07/61/672770761.db2.gz	AHVWJNXWQAZVFW-GJZGRUSLSA-N	1	0	359.536	1.570	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C	ZINC000262329854	672771080	/nfs/dbraw/zinc/77/10/80/672771080.db2.gz	ASWSQTRTGRFYSR-BYNSBNAKSA-N	1	0	357.520	1.178	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H](C)c1cn(C(C)(C)C)nc1C	ZINC000262352924	672775126	/nfs/dbraw/zinc/77/51/26/672775126.db2.gz	FLSNZJYJNOBKNZ-JSGCOSHPSA-N	1	0	369.535	1.607	20	30		FDEDRO
CO[C@]1(C)C[C@H](NC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C(C)C)C1(C)C	ZINC000262352796	672775284	/nfs/dbraw/zinc/77/52/84/672775284.db2.gz	FKJBVMQSDKNREP-JKIFEVAISA-N	1	0	359.536	1.568	20	30		FDEDRO
CC(C)[NH+]=C(NCc1ccc2c(c1)OCO2)NC[C@@H]1CCS(=O)(=O)C1	ZINC000262360922	672776572	/nfs/dbraw/zinc/77/65/72/672776572.db2.gz	GUVZLZGIPRFWLQ-AWEZNQCLSA-N	1	0	367.471	1.294	20	30		FDEDRO
C[C@@H]1C[C@H](C)CN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C[C@H]2CCCO2)C1	ZINC000262369008	672777786	/nfs/dbraw/zinc/77/77/86/672777786.db2.gz	IFUFWEWQUJDMSI-VVLHAWIVSA-N	1	0	371.547	1.524	20	30		FDEDRO
CC[C@]1(C)CCN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C[C@@H]2CCOC2)C1	ZINC000262376370	672779031	/nfs/dbraw/zinc/77/90/31/672779031.db2.gz	JOZOMYYLVORZTQ-XYJFISCASA-N	1	0	371.547	1.525	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCc2c(F)cc(F)cc2C1	ZINC000262403031	672783751	/nfs/dbraw/zinc/78/37/51/672783751.db2.gz	OASUQAHOZXXEOS-LLVKDONJSA-N	1	0	357.426	1.333	20	30		FDEDRO
NS(=O)(=O)c1ccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)s1	ZINC000262422091	672786852	/nfs/dbraw/zinc/78/68/52/672786852.db2.gz	AUXQIPMIEGMCQA-GFCCVEGCSA-N	1	0	366.468	1.324	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1	ZINC000262432233	672788494	/nfs/dbraw/zinc/78/84/94/672788494.db2.gz	SQFWTNCCPROPIZ-ZVDSWSACSA-N	1	0	350.507	1.612	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(N[C@@H]2CCOC3(CCC3)C2)=[NH+]C2CC2)C1	ZINC000262432210	672788568	/nfs/dbraw/zinc/78/85/68/672788568.db2.gz	SQCKKXNKEQVOFD-UKRRQHHQSA-N	1	0	355.504	1.220	20	30		FDEDRO
CC[C@H](C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCSC(C)(C)C1	ZINC000262467335	672794745	/nfs/dbraw/zinc/79/47/45/672794745.db2.gz	YMOBUALTHQGNSJ-KBPBESRZSA-N	1	0	361.577	1.993	20	30		FDEDRO
CCO[C@@H]1C[C@@H](NC(NC2CCN(C(C)=O)CC2)=[NH+]C)C12CCCC2	ZINC000262485893	672797295	/nfs/dbraw/zinc/79/72/95/672797295.db2.gz	WMXZDTGECXDJJB-IAGOWNOFSA-N	1	0	350.507	1.900	20	30		FDEDRO
C[NH+]=C(NCC(C)(C)N1CCOCC1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C	ZINC000262487094	672797325	/nfs/dbraw/zinc/79/73/25/672797325.db2.gz	WTNQTYIAYYXUGN-ARFHVFGLSA-N	1	0	352.523	1.466	20	30		FDEDRO
C[C@H](NC(=[NH2+])NCCN1C(=O)CNC1=O)c1ccc(Cl)cc1Cl	ZINC000262552009	672806345	/nfs/dbraw/zinc/80/63/45/672806345.db2.gz	YXTISDPNIVDNDT-QMMMGPOBSA-N	1	0	358.229	1.511	20	30		FDEDRO
CCc1ccc(CNC(=[NH+]C)N2CCN(C(=O)[C@@H]3CCCO3)CC2)s1	ZINC000262578835	672810669	/nfs/dbraw/zinc/81/06/69/672810669.db2.gz	PPTJQGYIBJPXQA-INIZCTEOSA-N	1	0	364.515	1.709	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1	ZINC000262585019	672811388	/nfs/dbraw/zinc/81/13/88/672811388.db2.gz	NWQMQIRMQDFIGK-UKRRQHHQSA-N	1	0	351.472	1.350	20	30		FDEDRO
C[C@H]1C[NH+]=C(NCCC(=O)N(C)Cc2ccccc2Br)N1	ZINC000262653199	672825532	/nfs/dbraw/zinc/82/55/32/672825532.db2.gz	KVKFMDAMFBLSGR-NSHDSACASA-N	1	0	353.264	1.735	20	30		FDEDRO
CN1CC[NH+]=C1NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1	ZINC000262663029	672827084	/nfs/dbraw/zinc/82/70/84/672827084.db2.gz	NLHDEVIROBPREZ-HNNXBMFYSA-N	1	0	356.392	1.970	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCOc2ccccc2F)CC1	ZINC000264087323	672900744	/nfs/dbraw/zinc/90/07/44/672900744.db2.gz	KFFVVNMJRRRBRC-UHFFFAOYSA-N	1	0	352.410	1.730	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCOc2cccc(F)c2)CC1	ZINC000264111862	672901498	/nfs/dbraw/zinc/90/14/98/672901498.db2.gz	REWBOJZWLBKARF-UHFFFAOYSA-N	1	0	352.410	1.730	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccc(CO)c(F)c2)CC1	ZINC000264126997	672901864	/nfs/dbraw/zinc/90/18/64/672901864.db2.gz	WPVDTHXCGVHLQP-UHFFFAOYSA-N	1	0	352.410	1.343	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1cc(Cl)c2c(c1)OCCO2	ZINC000264122866	672902016	/nfs/dbraw/zinc/90/20/16/672902016.db2.gz	VKULDPYGRKXJLB-UHFFFAOYSA-N	1	0	368.865	1.238	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	ZINC000264136425	672903011	/nfs/dbraw/zinc/90/30/11/672903011.db2.gz	ZUHJNAISTSEIBH-IHRRRGAJSA-N	1	0	352.454	1.879	20	30		FDEDRO
COc1cccc(O[C@H](C)CNC(=[NH2+])NCCCN2CCOCC2)c1	ZINC000267453619	673305764	/nfs/dbraw/zinc/30/57/64/673305764.db2.gz	SBXHPZJERHXGRE-OAHLLOKOSA-N	1	0	350.463	1.089	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1	ZINC000280999192	675478662	/nfs/dbraw/zinc/47/86/62/675478662.db2.gz	XOHKSTRQKLIGDE-CYBMUJFWSA-N	1	0	359.879	1.591	20	30		FDEDRO
C[N@@H+]1CCN(CCNS(=O)(=O)c2ccc(F)cc2C#N)CC1(C)C	ZINC000281708692	675548441	/nfs/dbraw/zinc/54/84/41/675548441.db2.gz	ASGSOZPUSNWTNI-UHFFFAOYSA-N	1	0	354.451	1.002	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@H](CO)[C@H]1CCOC1)C(C)C	ZINC000281896228	675574547	/nfs/dbraw/zinc/57/45/47/675574547.db2.gz	FAJGXURDDPGIFJ-OKZBNKHCSA-N	1	0	353.507	1.629	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@](C)(C(=O)NC)C1)C(C)C	ZINC000281901409	675575574	/nfs/dbraw/zinc/57/55/74/675575574.db2.gz	FMPWLIJGTMQHCR-LPHOPBHVSA-N	1	0	350.507	1.853	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000282578985	675636674	/nfs/dbraw/zinc/63/66/74/675636674.db2.gz	GWBFBIRSYWAICM-DLBZAZTESA-N	1	0	364.515	1.919	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000282578997	675636717	/nfs/dbraw/zinc/63/67/17/675636717.db2.gz	GWBFBIRSYWAICM-SJORKVTESA-N	1	0	364.515	1.919	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1	ZINC000282828181	675643136	/nfs/dbraw/zinc/64/31/36/675643136.db2.gz	MFLWOQIYURORTJ-CQSZACIVSA-N	1	0	356.467	1.526	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000283001691	675646969	/nfs/dbraw/zinc/64/69/69/675646969.db2.gz	NZHXGIQUWDYCEI-SJLPKXTDSA-N	1	0	364.515	1.919	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NCCCCCOC)C(C)C	ZINC000283666153	675660031	/nfs/dbraw/zinc/66/00/31/675660031.db2.gz	BWNQDAJCKLYJTR-QGZVFWFLSA-N	1	0	353.507	1.734	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](c2ccsc2)N(C)C)CC1	ZINC000284273895	675683638	/nfs/dbraw/zinc/68/36/38/675683638.db2.gz	MYLCFYCBMPRVES-INIZCTEOSA-N	1	0	364.515	1.234	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C	ZINC000284456053	675714698	/nfs/dbraw/zinc/71/46/98/675714698.db2.gz	QDCHWYSIYLLTIZ-LZWOXQAQSA-N	1	0	365.499	1.564	20	30		FDEDRO
C#CCNC(=O)CC[N@@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1	ZINC000292659163	676304024	/nfs/dbraw/zinc/30/40/24/676304024.db2.gz	AHYVJXQDLBLLMR-HNNXBMFYSA-N	1	0	361.873	1.555	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCN(Cc2ccc(Cl)nc2)CC1	ZINC000297313488	676425660	/nfs/dbraw/zinc/42/56/60/676425660.db2.gz	IKYBHVVWABYTCX-UHFFFAOYSA-N	1	0	363.893	1.517	20	30		FDEDRO
COC(=O)C1CC[NH+](CCCNS(=O)(=O)c2ccccc2C#N)CC1	ZINC000298657198	676486161	/nfs/dbraw/zinc/48/61/61/676486161.db2.gz	CFJXHWKLHHDROW-UHFFFAOYSA-N	1	0	365.455	1.112	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCNC(=O)OC(C)(C)C)CC1	ZINC000303770247	676542902	/nfs/dbraw/zinc/54/29/02/676542902.db2.gz	BTBVWJIMODZEGE-UHFFFAOYSA-N	1	0	357.455	1.036	20	30		FDEDRO
COCCNS(=O)(=O)c1ccc(CNC(=[NH2+])NC2CCCCC2)cc1	ZINC000303865958	676543346	/nfs/dbraw/zinc/54/33/46/676543346.db2.gz	BZFCPRFTVZAKAI-UHFFFAOYSA-N	1	0	368.503	1.348	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCN(C)CC(F)(F)F)CC1	ZINC000304748326	676544386	/nfs/dbraw/zinc/54/43/86/676544386.db2.gz	HCCGMQLIPSJGOC-UHFFFAOYSA-N	1	0	353.389	1.006	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1	ZINC000305260586	676544924	/nfs/dbraw/zinc/54/49/24/676544924.db2.gz	NZDLJBUTOKFDSF-RBSFLKMASA-N	1	0	350.463	1.469	20	30		FDEDRO
CC(C)C(=O)NCCCNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1	ZINC000305286080	676544955	/nfs/dbraw/zinc/54/49/55/676544955.db2.gz	DZYHDWIKAMNXHM-UHFFFAOYSA-N	1	0	365.909	1.939	20	30		FDEDRO
NS(=O)(=O)[C@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1	ZINC000328622696	676600010	/nfs/dbraw/zinc/60/00/10/676600010.db2.gz	YHZDUZVRRREBEV-HNNXBMFYSA-N	1	0	372.535	1.452	20	30		FDEDRO
C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O	ZINC000328704081	676603117	/nfs/dbraw/zinc/60/31/17/676603117.db2.gz	OPSHDNKOIYHWKQ-IKGGRYGDSA-N	1	0	353.507	1.932	20	30		FDEDRO
C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+]2CCC[C@@H]2C1	ZINC000328721939	676604158	/nfs/dbraw/zinc/60/41/58/676604158.db2.gz	XELWCRVSGPYBDD-LSDHHAIUSA-N	1	0	365.503	1.041	20	30		FDEDRO
CN(CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1	ZINC000328749226	676605082	/nfs/dbraw/zinc/60/50/82/676605082.db2.gz	MGCHTQQSLMZJGL-SJORKVTESA-N	1	0	365.499	1.336	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@H]3C(=O)NC[C@H]32)C1	ZINC000328766322	676605935	/nfs/dbraw/zinc/60/59/35/676605935.db2.gz	FGNUGCKFMGXXMK-ARFHVFGLSA-N	1	0	352.479	1.350	20	30		FDEDRO
O=C(N[C@@H]1CCCC12CCOCC2)N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000328778577	676606620	/nfs/dbraw/zinc/60/66/20/676606620.db2.gz	GHSJMMTYZDGKAS-IAGOWNOFSA-N	1	0	351.491	1.904	20	30		FDEDRO
C[C@H]1Cc2cc(C(=O)NCC[N@H+]3CC=CCC3)ccc2N1S(C)(=O)=O	ZINC000328997951	676615474	/nfs/dbraw/zinc/61/54/74/676615474.db2.gz	KJUOKYUDEHXAMY-AWEZNQCLSA-N	1	0	363.483	1.964	20	30		FDEDRO
C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1CCO[C@@H]2CC[N@H+](C)C[C@@H]21	ZINC000329049711	676617499	/nfs/dbraw/zinc/61/74/99/676617499.db2.gz	WCJNEUGMABKCPE-VSZNYVQBSA-N	1	0	353.507	1.943	20	30		FDEDRO
CC(C)N1C(=O)N[C@@H]2CN(C(=O)NCC[N@@H+]3CCC[C@H](C)C3)CC[C@@H]21	ZINC000329071431	676618323	/nfs/dbraw/zinc/61/83/23/676618323.db2.gz	YYFYPVCZHMZKOA-XHSDSOJGSA-N	1	0	351.495	1.713	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O	ZINC000329076484	676618796	/nfs/dbraw/zinc/61/87/96/676618796.db2.gz	CFWJDQJLAXPZMJ-DISONHOPSA-N	1	0	353.507	1.883	20	30		FDEDRO
CS(=O)(=O)N1CCC(NC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC1	ZINC000329097379	676619866	/nfs/dbraw/zinc/61/98/66/676619866.db2.gz	CDNSENHWDXPUGA-INIZCTEOSA-N	1	0	372.535	1.275	20	30		FDEDRO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)C1	ZINC000329099238	676619970	/nfs/dbraw/zinc/61/99/70/676619970.db2.gz	ZBPLLSCCEQVLOS-DIKXUDHVSA-N	1	0	353.507	1.881	20	30		FDEDRO
C[NH+]1CCN(Cc2cccc(NC(=O)[C@@H]3CCS(=O)(=O)C3)c2)CC1	ZINC000329169687	676623427	/nfs/dbraw/zinc/62/34/27/676623427.db2.gz	JFPSMUYTSYOUPF-OAHLLOKOSA-N	1	0	351.472	1.457	20	30		FDEDRO
O=C(CN1C=Nc2ccccc2S1(=O)=O)NC1CC[NH+](C2CC2)CC1	ZINC000329195604	676624426	/nfs/dbraw/zinc/62/44/26/676624426.db2.gz	VJUJOTUPGVDQRU-UHFFFAOYSA-N	1	0	362.455	1.934	20	30		FDEDRO
C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1	ZINC000329200116	676624871	/nfs/dbraw/zinc/62/48/71/676624871.db2.gz	BGTJEJRWUBPUEF-LSDHHAIUSA-N	1	0	372.535	1.321	20	30		FDEDRO
C[C@H](NC(=O)CN1CCC[C@H]1C[NH+]1CCCC1)C(=O)N1CCCCC1	ZINC000329217409	676626027	/nfs/dbraw/zinc/62/60/27/676626027.db2.gz	QBSLCCBIVCOSNZ-IRXDYDNUSA-N	1	0	350.507	1.904	20	30		FDEDRO
C[C@H]1Cc2cc(C(=O)NCC3=CC[N@H+](C)CC3)ccc2N1S(C)(=O)=O	ZINC000329223823	676626555	/nfs/dbraw/zinc/62/65/55/676626555.db2.gz	YQHDTFKIXDUYSQ-ZDUSSCGKSA-N	1	0	363.483	1.964	20	30		FDEDRO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)C1	ZINC000329298564	676631829	/nfs/dbraw/zinc/63/18/29/676631829.db2.gz	ULIGOFCJMAIOLK-FXUDXRNXSA-N	1	0	353.463	1.078	20	30		FDEDRO
C[C@H](O)CN1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1	ZINC000329369089	676635855	/nfs/dbraw/zinc/63/58/55/676635855.db2.gz	IETKWCYYECUKPU-FUHWJXTLSA-N	1	0	352.523	1.696	20	30		FDEDRO
CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1	ZINC000329541700	676643366	/nfs/dbraw/zinc/64/33/66/676643366.db2.gz	XKLGWMJZKCKJOU-CABCVRRESA-N	1	0	361.508	1.160	20	30		FDEDRO
CS(=O)(=O)C1(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCCC1	ZINC000329613310	676646093	/nfs/dbraw/zinc/64/60/93/676646093.db2.gz	RUMFUHKDARCKFX-AWEZNQCLSA-N	1	0	358.504	1.801	20	30		FDEDRO
CCN(CC)C(=O)N1CCN(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC1	ZINC000329691825	676649528	/nfs/dbraw/zinc/64/95/28/676649528.db2.gz	BZMLPWFPDYELPJ-HNNXBMFYSA-N	1	0	351.495	1.630	20	30		FDEDRO
CCN1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1=O	ZINC000329803626	676657627	/nfs/dbraw/zinc/65/76/27/676657627.db2.gz	ZRCZUEYOWSITJD-UHFFFAOYSA-N	1	0	354.520	1.426	20	30		FDEDRO
CN1CC[NH+](CCC(C)(C)NC(=O)CN2C(=O)NC(=O)C2(C)C)CC1	ZINC000329991345	676667755	/nfs/dbraw/zinc/66/77/55/676667755.db2.gz	JUNLSVSXMJLIMC-UHFFFAOYSA-N	1	0	353.467	1.530	20	30		FDEDRO
C[N@H+](CCO)C1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CC1	ZINC000330089641	676672052	/nfs/dbraw/zinc/67/20/52/676672052.db2.gz	VZIYGTNTFGKJCV-GVDBMIGSSA-N	1	0	351.491	1.637	20	30		FDEDRO
CN(C(=O)NCC1([NH+](C)C)CCCCCC1)[C@@H]1CCN(S(C)(=O)=O)C1	ZINC000330126215	676674402	/nfs/dbraw/zinc/67/44/02/676674402.db2.gz	BWYXZEYWOBFFJE-OAHLLOKOSA-N	1	0	374.551	1.521	20	30		FDEDRO
C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)C1	ZINC000330125593	676674403	/nfs/dbraw/zinc/67/44/03/676674403.db2.gz	BPZCNLHQRQIOGV-CABCVRRESA-N	1	0	374.551	1.377	20	30		FDEDRO
CS[C@@H]1CN(CC(=O)N2CCC[C@H](NC(C)=O)C2)C[C@H]1[NH+]1CCCC1	ZINC000330138018	676674697	/nfs/dbraw/zinc/67/46/97/676674697.db2.gz	VHWAHQIKQQBQEV-GVDBMIGSSA-N	1	0	368.547	1.465	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)CC1	ZINC000330250604	676680870	/nfs/dbraw/zinc/68/08/70/676680870.db2.gz	NAUAXQHVVOFSCQ-UXLLHSPISA-N	1	0	354.445	1.656	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCC(=O)NC1(C)C)c1ccc(F)cc1	ZINC000330430415	676690124	/nfs/dbraw/zinc/69/01/24/676690124.db2.gz	JBEDBEYBFAKHGW-HUUCEWRRSA-N	1	0	350.438	1.989	20	30		FDEDRO
C[C@H](CNC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F)[NH+](C)C	ZINC000330498554	676693764	/nfs/dbraw/zinc/69/37/64/676693764.db2.gz	BQWMEHDSXRSALX-LLVKDONJSA-N	1	0	358.439	1.642	20	30		FDEDRO
CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1	ZINC000330727280	676702205	/nfs/dbraw/zinc/70/22/05/676702205.db2.gz	FYVIOYHCYKRQCZ-CVEARBPZSA-N	1	0	374.551	1.471	20	30		FDEDRO
C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)C(C)(C)C[NH+](C)C	ZINC000330731329	676702472	/nfs/dbraw/zinc/70/24/72/676702472.db2.gz	JBTQTQCUZZKGNZ-BFHYXJOUSA-N	1	0	362.540	1.327	20	30		FDEDRO
C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)C(C)(C)C[NH+](C)C	ZINC000330731330	676702475	/nfs/dbraw/zinc/70/24/75/676702475.db2.gz	JBTQTQCUZZKGNZ-MJBXVCDLSA-N	1	0	362.540	1.327	20	30		FDEDRO
C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O	ZINC000330733581	676702627	/nfs/dbraw/zinc/70/26/27/676702627.db2.gz	KFJDQULJSFXQDJ-RBSFLKMASA-N	1	0	360.524	1.225	20	30		FDEDRO
C[C@H](CNC(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)[N@@H+]1CCC[C@@H](C)C1	ZINC000330738457	676702740	/nfs/dbraw/zinc/70/27/40/676702740.db2.gz	NMONOLSKJWZMCD-KLHDSHLOSA-N	1	0	374.551	1.471	20	30		FDEDRO
Cc1cc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc(S(N)(=O)=O)c1C	ZINC000330772805	676703611	/nfs/dbraw/zinc/70/36/11/676703611.db2.gz	PUKAIQMONWLNKQ-CYBMUJFWSA-N	1	0	351.472	1.906	20	30		FDEDRO
CNS(=O)(=O)c1cccc(NC(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c1	ZINC000330836190	676705868	/nfs/dbraw/zinc/70/58/68/676705868.db2.gz	WWIWZSYKPXVUAS-UONOGXRCSA-N	1	0	372.516	1.118	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[S@](=O)[C@H](C)[C@@H]2C)[C@H](C)C1	ZINC000330868908	676707289	/nfs/dbraw/zinc/70/72/89/676707289.db2.gz	YVDGALXSRNJYSP-YJRGIBMBSA-N	1	0	373.563	1.879	20	30		FDEDRO
COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O	ZINC000330924098	676710371	/nfs/dbraw/zinc/71/03/71/676710371.db2.gz	SYDVLEUELIWQQM-CAOSSQGBSA-N	1	0	355.479	1.457	20	30		FDEDRO
CO[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC[C@H]1C	ZINC000330975876	676712306	/nfs/dbraw/zinc/71/23/06/676712306.db2.gz	JWTWONKAMRXRJN-BZUAXINKSA-N	1	0	354.495	1.200	20	30		FDEDRO
CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCC(OC[C@H]2CCCCO2)CC1	ZINC000331133489	676718195	/nfs/dbraw/zinc/71/81/95/676718195.db2.gz	HPFZFCSWDNUJGO-GOEBONIOSA-N	1	0	355.479	1.864	20	30		FDEDRO
C[C@H]1CN(C(=O)NCCOc2ccc(F)cc2)CC[N@@H+]1CC(C)(C)O	ZINC000331215955	676722323	/nfs/dbraw/zinc/72/23/23/676722323.db2.gz	DIJYDMCWGMWEFP-AWEZNQCLSA-N	1	0	353.438	1.896	20	30		FDEDRO
CC(C)Cc1nnc(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)s1	ZINC000331267973	676724866	/nfs/dbraw/zinc/72/48/66/676724866.db2.gz	KDKJKEARYPBCJA-UHFFFAOYSA-N	1	0	354.524	2.089	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)C[C@@H]1C	ZINC000331298396	676726329	/nfs/dbraw/zinc/72/63/29/676726329.db2.gz	UWRVSVHZBMSDIK-ZFWWWQNUSA-N	1	0	368.503	1.993	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCC1	ZINC000331516715	676730325	/nfs/dbraw/zinc/73/03/25/676730325.db2.gz	YPNWSEZLMVWGOZ-CYBMUJFWSA-N	1	0	364.427	1.715	20	30		FDEDRO
NC(=O)[C@@H]1C[N@H+](CCOCC(F)(F)C(F)(F)F)C[C@H]1C(F)(F)F	ZINC000367489325	677492889	/nfs/dbraw/zinc/49/28/89/677492889.db2.gz	KZWBOUJIDWTXLT-RNFRBKRXSA-N	1	0	358.229	1.796	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1	ZINC000367800354	677495832	/nfs/dbraw/zinc/49/58/32/677495832.db2.gz	IYOWVQJLIKIGKW-HNNXBMFYSA-N	1	0	369.531	1.493	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CCCCC2)C1	ZINC000368815905	677501894	/nfs/dbraw/zinc/50/18/94/677501894.db2.gz	ANWZEQRZBSLJQK-LSDHHAIUSA-N	1	0	350.463	1.111	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)CN(C)C1CC[NH+](C2CCOCC2)CC1	ZINC000368851105	677502016	/nfs/dbraw/zinc/50/20/16/677502016.db2.gz	OLHWXURDDFTIMU-IBGZPJMESA-N	1	0	350.507	1.616	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CCC[N@@H+]1CCc1ccccc1	ZINC000370297851	677562421	/nfs/dbraw/zinc/56/24/21/677562421.db2.gz	MUBSTWHXNVTCPG-FUHWJXTLSA-N	1	0	364.515	1.619	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21	ZINC000370843049	677619688	/nfs/dbraw/zinc/61/96/88/677619688.db2.gz	LNAJDFWGKUBQKD-YESZJQIVSA-N	1	0	363.483	1.739	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N(C)C1CC[NH+](CC(=O)N2CCCC2)CC1	ZINC000370885435	677626337	/nfs/dbraw/zinc/62/63/37/677626337.db2.gz	ICCNVTIBKSRCME-MRXNPFEDSA-N	1	0	351.491	1.513	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Nc2nnc(-c3c[nH]nc3C)s2)CC1	ZINC000372593635	677943800	/nfs/dbraw/zinc/94/38/00/677943800.db2.gz	LRBGDJSZVCNFDQ-UHFFFAOYSA-N	1	0	361.475	2.399	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1	ZINC000374400923	678077752	/nfs/dbraw/zinc/07/77/52/678077752.db2.gz	IFZOWMNTXUSXDD-HYVNUMGLSA-N	1	0	350.488	1.748	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1	ZINC000374582073	678087580	/nfs/dbraw/zinc/08/75/80/678087580.db2.gz	CLGZVMACOUJWAA-BPUTZDHNSA-N	1	0	351.476	1.143	20	30		FDEDRO
C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000376343095	678279452	/nfs/dbraw/zinc/27/94/52/678279452.db2.gz	DVAHNXDKMJRSBS-JSGCOSHPSA-N	1	0	364.427	1.714	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1	ZINC000423025221	680772749	/nfs/dbraw/zinc/77/27/49/680772749.db2.gz	NQNJTVWPOFAVQN-NSHDSACASA-N	1	0	357.863	1.102	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N(CCC#N)CCN2CCOCC2)C1	ZINC000377936523	678655268	/nfs/dbraw/zinc/65/52/68/678655268.db2.gz	HXPFBXLYRZWOCS-SFHVURJKSA-N	1	0	354.470	1.273	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NCC1CCN(c2cc[nH+]cc2)CC1	ZINC000409488162	678849286	/nfs/dbraw/zinc/84/92/86/678849286.db2.gz	UXVYXCPZLGXFNY-UHFFFAOYSA-N	1	0	351.476	1.368	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1	ZINC000409490768	678850627	/nfs/dbraw/zinc/85/06/27/678850627.db2.gz	IVPYGQBDCXCCNX-RDJZCZTQSA-N	1	0	350.488	1.719	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NCc1ccc(C[NH+]2CCCC2)cc1	ZINC000409538331	678856009	/nfs/dbraw/zinc/85/60/09/678856009.db2.gz	SFJMWGSDNJTRNC-HNNXBMFYSA-N	1	0	350.488	1.708	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1	ZINC000410096948	678878138	/nfs/dbraw/zinc/87/81/38/678878138.db2.gz	FYDIFHBYRLWQEA-HNNXBMFYSA-N	1	0	354.476	1.795	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000410152548	678886221	/nfs/dbraw/zinc/88/62/21/678886221.db2.gz	AFMXMDMRPXZERI-IYBDPMFKSA-N	1	0	372.535	1.288	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NCC1([NH+]2CCSCC2)CCCCC1	ZINC000410153508	678886811	/nfs/dbraw/zinc/88/68/11/678886811.db2.gz	FPMQTRHBDWKAIR-UHFFFAOYSA-N	1	0	374.576	1.808	20	30		FDEDRO
CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1C#N	ZINC000411632526	679055334	/nfs/dbraw/zinc/05/53/34/679055334.db2.gz	GFMUPAZGKWTYML-HOTGVXAUSA-N	1	0	364.471	1.337	20	30		FDEDRO
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H]([NH3+])CCCC#N)cc1	ZINC000424067136	680828337	/nfs/dbraw/zinc/82/83/37/680828337.db2.gz	ONUZKDFRAQIJOP-INIZCTEOSA-N	1	0	366.487	1.354	20	30		FDEDRO
Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3Cl)C[C@H]2[NH3+])cn1	ZINC000424396916	680839293	/nfs/dbraw/zinc/83/92/93/680839293.db2.gz	YNHJKXVWGRIBGE-GXTWGEPZSA-N	1	0	365.846	1.061	20	30		FDEDRO
CC(C)C[C@H]([NH3+])c1noc(-c2ccc(S(=O)(=O)NCCC#N)cc2)n1	ZINC000414611277	679360339	/nfs/dbraw/zinc/36/03/39/679360339.db2.gz	CBWVAFYLEMHGIN-AWEZNQCLSA-N	1	0	363.443	1.974	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[NH2+]CC2)cc1	ZINC000414898873	679373383	/nfs/dbraw/zinc/37/33/83/679373383.db2.gz	UFIOWXVYOKRGDH-UHFFFAOYSA-N	1	0	352.460	1.320	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000415266416	679398018	/nfs/dbraw/zinc/39/80/18/679398018.db2.gz	RXLXWRYPUJKFEK-ZDUSSCGKSA-N	1	0	359.327	1.655	20	30		FDEDRO
C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1	ZINC000415292028	679403296	/nfs/dbraw/zinc/40/32/96/679403296.db2.gz	AUVOGEMHDWWCFF-LLVKDONJSA-N	1	0	351.204	1.080	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)N[C@H]1C[NH2+]CCC1(F)F	ZINC000415469102	679435551	/nfs/dbraw/zinc/43/55/51/679435551.db2.gz	KZIORDNBGXTEEG-AWEZNQCLSA-N	1	0	354.357	1.702	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)cc1Br	ZINC000415537458	679446745	/nfs/dbraw/zinc/44/67/45/679446745.db2.gz	GVDZLUMCGMMKMI-LBPRGKRZSA-N	1	0	351.204	1.113	20	30		FDEDRO
C=CCC1(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CCOCC1	ZINC000424667708	680853812	/nfs/dbraw/zinc/85/38/12/680853812.db2.gz	VRBIYZTZOVZNJJ-UHFFFAOYSA-N	1	0	351.491	1.418	20	30		FDEDRO
N#CCCSc1ccccc1NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1	ZINC000415893564	679534627	/nfs/dbraw/zinc/53/46/27/679534627.db2.gz	NFSJDBOMHLFYPU-KGLIPLIRSA-N	1	0	358.467	1.699	20	30		FDEDRO
C[NH2+]C1CCN(C(=O)C(=O)NCCSCc2ccccc2C#N)CC1	ZINC000418917210	680152904	/nfs/dbraw/zinc/15/29/04/680152904.db2.gz	SUZOIVBHCTVJBY-UHFFFAOYSA-N	1	0	360.483	1.118	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCSCc1ccccc1C#N	ZINC000418920948	680153529	/nfs/dbraw/zinc/15/35/29/680153529.db2.gz	LEXUCKGDGPPUPE-CJNGLKHVSA-N	1	0	360.483	1.022	20	30		FDEDRO
[NH3+][C@H](CNC(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CC1	ZINC000419117228	680193292	/nfs/dbraw/zinc/19/32/92/680193292.db2.gz	PTTNFBYCMCWMLZ-CQSZACIVSA-N	1	0	353.344	1.027	20	30		FDEDRO
C[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H](C)C[N@@H+]1CCO	ZINC000419341725	680240086	/nfs/dbraw/zinc/24/00/86/680240086.db2.gz	OSQFQQKOBGJHOG-OLZOCXBDSA-N	1	0	350.850	1.537	20	30		FDEDRO
Cc1sc(NC(=O)CN2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)c(C#N)c1C	ZINC000419344597	680240860	/nfs/dbraw/zinc/24/08/60/680240860.db2.gz	SDBKEGOVRJDUGH-VXGBXAGGSA-N	1	0	350.488	1.562	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C)c1ccc(F)c(F)c1	ZINC000419671691	680314022	/nfs/dbraw/zinc/31/40/22/680314022.db2.gz	FPNYQMOKUGSRHB-OZVIIMIRSA-N	1	0	351.397	1.907	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C	ZINC000420046289	680394227	/nfs/dbraw/zinc/39/42/27/680394227.db2.gz	VQBAXYAPBPBJHP-OCCSQVGLSA-N	1	0	351.472	1.492	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1	ZINC000420096210	680400116	/nfs/dbraw/zinc/40/01/16/680400116.db2.gz	KNOWLVRJWQIBSF-BBRMVZONSA-N	1	0	351.397	1.561	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1	ZINC000420208510	680417679	/nfs/dbraw/zinc/41/76/79/680417679.db2.gz	UYFBTPXOUARPEL-NSHDSACASA-N	1	0	357.863	1.021	20	30		FDEDRO
C[C@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1cccc(Br)c1C#N	ZINC000420431766	680447713	/nfs/dbraw/zinc/44/77/13/680447713.db2.gz	XNCKMDISXCTEKC-UWVGGRQHSA-N	1	0	358.261	1.679	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC[C@@H]1[NH3+]	ZINC000420448959	680456832	/nfs/dbraw/zinc/45/68/32/680456832.db2.gz	JXBPLGGMZIMNAW-RNCFNFMXSA-N	1	0	358.261	1.679	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC[C@@H]1[NH3+]	ZINC000420448969	680456841	/nfs/dbraw/zinc/45/68/41/680456841.db2.gz	JXBPLGGMZIMNAW-ZANVPECISA-N	1	0	358.261	1.679	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N[C@H]1CCC[C@@H]1C[NH3+]	ZINC000420460808	680463698	/nfs/dbraw/zinc/46/36/98/680463698.db2.gz	RNIBGTIYQSUPKY-SKDRFNHKSA-N	1	0	358.261	1.726	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c1	ZINC000420462413	680464699	/nfs/dbraw/zinc/46/46/99/680464699.db2.gz	HMSBGVIICCBFEJ-UKRRQHHQSA-N	1	0	351.472	1.398	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N[C@H](CC[NH3+])C(F)F)cc1C(F)(F)F	ZINC000420472119	680466394	/nfs/dbraw/zinc/46/63/94/680466394.db2.gz	YYVCBFJLRYQJEP-SNVBAGLBSA-N	1	0	357.304	1.838	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)c3ncc(C#N)cc3Cl)CC2)C1=O	ZINC000425302371	680892959	/nfs/dbraw/zinc/89/29/59/680892959.db2.gz	CMYXFMRHZFBGOH-AWEZNQCLSA-N	1	0	361.833	1.032	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](C1CCOCC1)C1(CO)CCC1	ZINC000425540755	680908586	/nfs/dbraw/zinc/90/85/86/680908586.db2.gz	LYFRRWNVXAEILZ-ROUUACIJSA-N	1	0	351.491	1.588	20	30		FDEDRO
Cc1c(NC(=O)C(=O)NCCC[NH+](C)C)ccc(Br)c1C#N	ZINC000425727339	680920796	/nfs/dbraw/zinc/92/07/96/680920796.db2.gz	RAAGREGCWUFALL-UHFFFAOYSA-N	1	0	367.247	1.636	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1	ZINC000425861676	680937094	/nfs/dbraw/zinc/93/70/94/680937094.db2.gz	WDDWFBDTAOICNC-FJIDUMEYSA-N	1	0	350.507	1.245	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC	ZINC000425881187	680938744	/nfs/dbraw/zinc/93/87/44/680938744.db2.gz	SOEAIQFHLKLUQA-AQDBYXPISA-N	1	0	351.491	1.861	20	30		FDEDRO
CC(C)NS(=O)(=O)NCC[NH2+]Cc1cccc(OCCCC#N)c1	ZINC000428569981	681007378	/nfs/dbraw/zinc/00/73/78/681007378.db2.gz	XKCPQZBTRNQBPY-UHFFFAOYSA-N	1	0	354.476	1.291	20	30		FDEDRO
CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc(C#N)cc1	ZINC000429725424	681046272	/nfs/dbraw/zinc/04/62/72/681046272.db2.gz	RUITWUPLYOBLLC-JKSUJKDBSA-N	1	0	364.471	1.337	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C	ZINC000430382816	681074273	/nfs/dbraw/zinc/07/42/73/681074273.db2.gz	FAYGIILRVNHHTP-IRXDYDNUSA-N	1	0	353.507	1.661	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1	ZINC000430394993	681075146	/nfs/dbraw/zinc/07/51/46/681075146.db2.gz	QBFQKJLYGJAXEK-ULQDDVLXSA-N	1	0	351.491	1.178	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCCCC[NH+]1CCN(CC)CC1	ZINC000437637545	681803084	/nfs/dbraw/zinc/80/30/84/681803084.db2.gz	QKOFKHQQJKTNBA-ZWKOTPCHSA-N	1	0	352.523	1.685	20	30		FDEDRO
C[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)CN1CC[NH+](C)CC1	ZINC000440042504	681963026	/nfs/dbraw/zinc/96/30/26/681963026.db2.gz	ATIZEMJONYRQFD-CQSZACIVSA-N	1	0	368.478	1.000	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CC[C@@](C)(NCC(=O)OC(C)(C)C)C1	ZINC000440490317	682001659	/nfs/dbraw/zinc/00/16/59/682001659.db2.gz	QULAVQMKICDPIS-GOSISDBHSA-N	1	0	352.479	1.144	20	30		FDEDRO
N#CCCCCS(=O)(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000443231655	682256390	/nfs/dbraw/zinc/25/63/90/682256390.db2.gz	PLBPYVCBMACMTR-QGZVFWFLSA-N	1	0	351.472	1.237	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1	ZINC000444280319	682395384	/nfs/dbraw/zinc/39/53/84/682395384.db2.gz	HENONRLQIHJDSS-ZDUSSCGKSA-N	1	0	367.471	1.033	20	30		FDEDRO
C[C@H](O)C[N@H+](C)C1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC1	ZINC000451171489	682834983	/nfs/dbraw/zinc/83/49/83/682834983.db2.gz	NRWOLPNAWOMTGU-ZDUSSCGKSA-N	1	0	369.462	1.304	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1	ZINC000451799758	682941198	/nfs/dbraw/zinc/94/11/98/682941198.db2.gz	XXNIDFXRXBLJQW-MRXNPFEDSA-N	1	0	364.515	1.967	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1	ZINC000451799757	682941320	/nfs/dbraw/zinc/94/13/20/682941320.db2.gz	XXNIDFXRXBLJQW-INIZCTEOSA-N	1	0	364.515	1.967	20	30		FDEDRO
CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)Cc2cccc(C#N)c2)CC1	ZINC000452046857	683010952	/nfs/dbraw/zinc/01/09/52/683010952.db2.gz	IXQMUNYFXIOQGO-UHFFFAOYSA-N	1	0	364.515	1.394	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453606029	683169392	/nfs/dbraw/zinc/16/93/92/683169392.db2.gz	XRERKUSFISDRDN-UHFFFAOYSA-N	1	0	366.849	1.429	20	30		FDEDRO
C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000453751545	683205381	/nfs/dbraw/zinc/20/53/81/683205381.db2.gz	SVPPZTZEFICUFL-YPMHNXCESA-N	1	0	361.833	1.630	20	30		FDEDRO
C[C@@H](CNC(=O)Nc1cnc(C#N)c(Cl)c1)C[NH+]1CCN(C)CC1	ZINC000455788101	683500449	/nfs/dbraw/zinc/50/04/49/683500449.db2.gz	NWUKDEGAZCADOU-LBPRGKRZSA-N	1	0	350.854	1.612	20	30		FDEDRO
C=C(C)[C@H]1OCCC[C@H]1C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C	ZINC000457522512	683760629	/nfs/dbraw/zinc/76/06/29/683760629.db2.gz	IKFGIHLHOLZPSN-IXDOHACOSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1	ZINC000459043158	684360727	/nfs/dbraw/zinc/36/07/27/684360727.db2.gz	OLQNFWAIQZEDKP-MLHJIOFPSA-N	1	0	350.507	1.387	20	30		FDEDRO
COCCN(CC#N)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1	ZINC000459537603	684421982	/nfs/dbraw/zinc/42/19/82/684421982.db2.gz	RNMDYXGEBWEHOA-UHFFFAOYSA-N	1	0	362.499	1.646	20	30		FDEDRO
C[C@@H](CO)[N@@H+]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1	ZINC000470053884	685001470	/nfs/dbraw/zinc/00/14/70/685001470.db2.gz	BLHWUFOWDRJUTM-KBXCAEBGSA-N	1	0	353.463	1.163	20	30		FDEDRO
C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1	ZINC000486121316	686836700	/nfs/dbraw/zinc/83/67/00/686836700.db2.gz	AIQZOBPEHNEUQT-KCXAZCMYSA-N	1	0	358.467	1.596	20	30		FDEDRO
Cc1ncc(S(=O)(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1C#N	ZINC000489821247	687116114	/nfs/dbraw/zinc/11/61/14/687116114.db2.gz	XNPRLLYHEFZRPW-CYBMUJFWSA-N	1	0	352.460	1.041	20	30		FDEDRO
C[C@H](CNS(=O)(=O)c1ccc(C#N)c(Br)c1)C[NH+](C)C	ZINC000490052132	687128876	/nfs/dbraw/zinc/12/88/76/687128876.db2.gz	YKAHOXFBORXPRG-SNVBAGLBSA-N	1	0	360.277	1.797	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(C[NH+](C)C)CC2)c1	ZINC000495265193	687614004	/nfs/dbraw/zinc/61/40/04/687614004.db2.gz	OIBVJLOGDDDMIJ-UHFFFAOYSA-N	1	0	365.499	1.565	20	30		FDEDRO
C=CCN(CC(F)(F)F)C(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1	ZINC000498226753	687768660	/nfs/dbraw/zinc/76/86/60/687768660.db2.gz	NUVYAABRAJITMX-KGLIPLIRSA-N	1	0	361.408	1.896	20	30		FDEDRO
C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1	ZINC000501355988	688172327	/nfs/dbraw/zinc/17/23/27/688172327.db2.gz	BBBWQXPWZJGONG-HNNXBMFYSA-N	1	0	363.483	1.788	20	30		FDEDRO
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCCC[NH+]1CCOCC1	ZINC000505781269	688529267	/nfs/dbraw/zinc/52/92/67/688529267.db2.gz	IMFGJJLYEQZLBA-GOSISDBHSA-N	1	0	353.463	1.477	20	30		FDEDRO
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCC1CC[NH+](CCO)CC1	ZINC000507320546	688628255	/nfs/dbraw/zinc/62/82/55/688628255.db2.gz	AUNIITUINVKBEU-GOSISDBHSA-N	1	0	353.463	1.069	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)N(C)[C@H](C)CC#N)[C@@H](C)C1	ZINC000510146449	689350830	/nfs/dbraw/zinc/35/08/30/689350830.db2.gz	HXFHTMQGBQJAQQ-XHSDSOJGSA-N	1	0	360.524	1.192	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cc(C#N)ccc2Cl)CC1	ZINC000511686247	689553970	/nfs/dbraw/zinc/55/39/70/689553970.db2.gz	FKGPZMBGXILINY-UHFFFAOYSA-N	1	0	362.861	1.884	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(S(=O)(=O)CC3(CC#N)CC3)CC2)CC1	ZINC000515421194	689856194	/nfs/dbraw/zinc/85/61/94/689856194.db2.gz	RDHBQQMJKPSUII-UHFFFAOYSA-N	1	0	368.547	1.500	20	30		FDEDRO
Cc1csc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1C#N	ZINC000515496350	689865543	/nfs/dbraw/zinc/86/55/43/689865543.db2.gz	NGLLIWWSZBUVGT-AWEZNQCLSA-N	1	0	361.471	1.699	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1	ZINC000517038767	690027472	/nfs/dbraw/zinc/02/74/72/690027472.db2.gz	MQLRRXNRNPDTMC-UHFFFAOYSA-N	1	0	364.877	1.975	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1COc2cc(F)c(Br)cc21	ZINC000519770321	690264143	/nfs/dbraw/zinc/26/41/43/690264143.db2.gz	UHDFQPSVRFGLPZ-IINYFYTJSA-N	1	0	372.238	1.818	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCCCS1(=O)=O	ZINC000519819334	690275446	/nfs/dbraw/zinc/27/54/46/690275446.db2.gz	CITXQHXKTCGWBG-SJORKVTESA-N	1	0	353.484	1.712	20	30		FDEDRO
CCOC(=O)CC1([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CCCC1	ZINC000521503061	694399903	/nfs/dbraw/zinc/39/99/03/694399903.db2.gz	POIBGVOCTNKKEN-UHFFFAOYSA-N	1	0	365.455	1.583	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2ccc(C#N)cc2F)CC1	ZINC000527389067	694669693	/nfs/dbraw/zinc/66/96/93/694669693.db2.gz	HBXGUYFZOKNDOO-ZDUSSCGKSA-N	1	0	354.451	1.002	20	30		FDEDRO
CC(C)[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1	ZINC000528686676	694743051	/nfs/dbraw/zinc/74/30/51/694743051.db2.gz	HCJVEUIXRPHSBS-XJKSGUPXSA-N	1	0	364.471	1.834	20	30		FDEDRO
C=CCC1([NH2+]CC(=O)NC2CCN(S(C)(=O)=O)CC2)CCCCC1	ZINC000639892227	695511448	/nfs/dbraw/zinc/51/14/48/695511448.db2.gz	UPPKPQAUASEXHG-UHFFFAOYSA-N	1	0	357.520	1.395	20	30		FDEDRO
CC#CC[C@H](CO)[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1	ZINC000641767987	696217429	/nfs/dbraw/zinc/21/74/29/696217429.db2.gz	SVLZVTUDNSKKQS-QGZVFWFLSA-N	1	0	366.889	1.915	20	30		FDEDRO
C=CCC(C)(C)CNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000641826146	696226270	/nfs/dbraw/zinc/22/62/70/696226270.db2.gz	BTULXKXYVOSSKQ-QGZVFWFLSA-N	1	0	352.523	1.685	20	30		FDEDRO
N#C[C@H](c1ccc(N2CCN3CC[NH2+]C[C@@H]3C2)nn1)c1ccccc1F	ZINC001164398662	718836181	/nfs/dbraw/zinc/83/61/81/718836181.db2.gz	IYLVHHFAHAMXII-ZBFHGGJFSA-N	1	0	352.417	1.365	20	30		FDEDRO
N#Cc1c(Cl)nc(C(F)(F)N2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)nc1C(F)(F)F	ZINC001164439815	718986932	/nfs/dbraw/zinc/98/69/32/718986932.db2.gz	GFYFEOJDWBVIPZ-ZMONIFLSSA-N	1	0	353.682	1.959	20	30		FDEDRO
CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cnc(Cl)c(C#N)c1	ZINC001164617821	719014908	/nfs/dbraw/zinc/01/49/08/719014908.db2.gz	QAXLRDICHWGQRD-KGYLQXTDSA-N	1	0	370.787	1.881	20	30		FDEDRO
COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1C[C@H]2OCC[N@H+](C)[C@@H]2C1	ZINC001164672479	719411853	/nfs/dbraw/zinc/41/18/53/719411853.db2.gz	RWGSJOQURSOMEX-HZPDHXFCSA-N	1	0	373.529	1.616	20	30		FDEDRO
C=CCNC(=O)c1cccnc1N1CC[C@@H]2C[N@H+](CCOC)CCO[C@H]2C1	ZINC001164854342	720874876	/nfs/dbraw/zinc/87/48/76/720874876.db2.gz	DXSFFBYTJSCMRV-AEFFLSMTSA-N	1	0	374.485	1.171	20	30		FDEDRO
C=CCNC(=O)c1cccnc1N1CC[C@@H]2C[N@H+](CCOC)CCO[C@@H]2C1	ZINC001164854350	720875263	/nfs/dbraw/zinc/87/52/63/720875263.db2.gz	DXSFFBYTJSCMRV-SJLPKXTDSA-N	1	0	374.485	1.171	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncc(C#N)cc1Cl)CC2	ZINC001164750776	720946795	/nfs/dbraw/zinc/94/67/95/720946795.db2.gz	NILDYGYVTTVMIW-UHFFFAOYSA-N	1	0	374.832	1.449	20	30		FDEDRO
Cc1cnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c(C#N)n1	ZINC001164879810	721130548	/nfs/dbraw/zinc/13/05/48/721130548.db2.gz	UHIXXRNEUDGICY-DLBZAZTESA-N	1	0	350.426	1.531	20	30		FDEDRO
C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(C#N)cc(Cl)n2)CC3)CC1	ZINC001164795289	721507438	/nfs/dbraw/zinc/50/74/38/721507438.db2.gz	JYZTWMDTWWIBSL-UHFFFAOYSA-N	1	0	371.876	1.571	20	30		FDEDRO
C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(CC#N)ccn2)CC3)CC1	ZINC001164799138	721516665	/nfs/dbraw/zinc/51/66/65/721516665.db2.gz	XGFDPWXIUBXXBX-UHFFFAOYSA-N	1	0	351.458	1.112	20	30		FDEDRO
COc1nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1C#N	ZINC001164898563	721521762	/nfs/dbraw/zinc/52/17/62/721521762.db2.gz	IWFTZFITMLAPJE-NVXWUHKLSA-N	1	0	369.400	1.838	20	30		FDEDRO
Cc1nc(C#N)cnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164972507	722135639	/nfs/dbraw/zinc/13/56/39/722135639.db2.gz	AATNKNLIOAXLRE-IEBWSBKVSA-N	1	0	364.453	1.779	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21	ZINC001022717593	782566841	/nfs/dbraw/zinc/56/68/41/782566841.db2.gz	FMBCFRWTDLYMGD-JKIFEVAISA-N	1	0	355.442	1.044	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)C[N@H+]4CCC[C@@H]4C)[C@@H]3C2)cc1	ZINC001022717886	782573511	/nfs/dbraw/zinc/57/35/11/782573511.db2.gz	NUSCUFSRSUQHRC-FFZOFVMBSA-N	1	0	365.477	1.825	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)cc1F	ZINC001022726781	782681510	/nfs/dbraw/zinc/68/15/10/782681510.db2.gz	IOSVTULBBZAIBX-CLWVCHIJSA-N	1	0	358.417	1.336	20	30		FDEDRO
COCCC1(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)CCCCC1	ZINC000274753429	769864106	/nfs/dbraw/zinc/86/41/06/769864106.db2.gz	ICKYICFQLMFFFS-UHFFFAOYSA-N	1	0	360.506	1.900	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccn3ccnc3c2)C[C@H]1C	ZINC001104412621	782790567	/nfs/dbraw/zinc/79/05/67/782790567.db2.gz	FJILVVCNTMBVPX-SJLPKXTDSA-N	1	0	354.454	1.672	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCO[C@@H]3C[N@@H+](CC4CC(F)(F)C4)C[C@@H]32)c1	ZINC001083188487	769982954	/nfs/dbraw/zinc/98/29/54/769982954.db2.gz	XMXXSWMDRCZSJA-DLBZAZTESA-N	1	0	361.392	1.633	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(=O)[nH]c(C3CC3)n2)C1	ZINC001022736872	782798710	/nfs/dbraw/zinc/79/87/10/782798710.db2.gz	HFRKVBGZSXEAFQ-CLWVCHIJSA-N	1	0	358.442	1.388	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2[C@H](C)C[NH+](CC)C[C@H]2C)cc1	ZINC000655142306	770180750	/nfs/dbraw/zinc/18/07/50/770180750.db2.gz	YXZPPNOKXQDAFI-HUUCEWRRSA-N	1	0	365.499	1.706	20	30		FDEDRO
C=C(C)CN1C[C@H]2OCCN(C(=O)c3cc(-n4cccn4)ccn3)[C@H]2C1	ZINC001083190411	770231308	/nfs/dbraw/zinc/23/13/08/770231308.db2.gz	KLHXMPHPIHHJHG-ZWKOTPCHSA-N	1	0	353.426	1.369	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnc3ccc(C)cn32)C[C@H]1C	ZINC001104414116	782821526	/nfs/dbraw/zinc/82/15/26/782821526.db2.gz	CNVNONPWFURGHM-QZTJIDSGSA-N	1	0	368.481	1.980	20	30		FDEDRO
COc1ccc(C#N)cc1CN1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000969705203	770693760	/nfs/dbraw/zinc/69/37/60/770693760.db2.gz	UNKNKQZVYOWVRW-SPYBWZPUSA-N	1	0	370.497	1.844	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@H]1C	ZINC001020585727	770884469	/nfs/dbraw/zinc/88/44/69/770884469.db2.gz	MEVVSPNTPCPPKH-YVSFHVDLSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc(C3CC3)n2C2CC2)C1	ZINC001020604553	770978834	/nfs/dbraw/zinc/97/88/34/770978834.db2.gz	CRJZXTRIHISKPV-SRABZTEZSA-N	1	0	371.485	1.818	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc3c(c2)nnn3C)C1	ZINC000970014855	771202949	/nfs/dbraw/zinc/20/29/49/771202949.db2.gz	OGNTZBXTJYSUDS-RKVPGOIHSA-N	1	0	355.442	1.250	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCc2ccc3c(c2)CCO3)C1	ZINC000970017746	771206883	/nfs/dbraw/zinc/20/68/83/771206883.db2.gz	YSIRLIQATRIKQZ-QRVBRYPASA-N	1	0	356.466	1.946	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCn2nc(C)nc2C)C1	ZINC001020716072	771292717	/nfs/dbraw/zinc/29/27/17/771292717.db2.gz	NNPYTFOAYXUVDT-XSLAGTTESA-N	1	0	361.490	1.503	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1	ZINC001020726371	771303730	/nfs/dbraw/zinc/30/37/30/771303730.db2.gz	HVGKMUMNLFJHAY-MTSZKFMLSA-N	1	0	370.515	1.029	20	30		FDEDRO
CNS(=O)(=O)c1cccc(NC(=O)C[NH2+]Cc2cc(C#N)cs2)c1	ZINC000748099336	771496984	/nfs/dbraw/zinc/49/69/84/771496984.db2.gz	MOCAQGXYWGQPIP-UHFFFAOYSA-N	1	0	364.452	1.256	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC(N)=O)C1	ZINC001104239977	771610222	/nfs/dbraw/zinc/61/02/22/771610222.db2.gz	ZUUKUGGBAXXEKD-HZSPNIEDSA-N	1	0	352.479	1.246	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1CC[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001104240955	771632636	/nfs/dbraw/zinc/63/26/36/771632636.db2.gz	CIQYOEHQDVALHX-GDBMZVCRSA-N	1	0	370.432	1.563	20	30		FDEDRO
Cc1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)cc(C)n1	ZINC001104241126	771637962	/nfs/dbraw/zinc/63/79/62/771637962.db2.gz	LXWVXGFDSUIPDE-CZUORRHYSA-N	1	0	357.458	1.026	20	30		FDEDRO
C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C#N)s1	ZINC000510200747	771647494	/nfs/dbraw/zinc/64/74/94/771647494.db2.gz	NRAAVAYEVMNCAQ-INIZCTEOSA-N	1	0	370.478	1.639	20	30		FDEDRO
CCCCCCC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1	ZINC001167207239	771729573	/nfs/dbraw/zinc/72/95/73/771729573.db2.gz	JCFKNONZBCJATD-JKSUJKDBSA-N	1	0	353.507	1.866	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]Cc2nnc(C)s2)CC1	ZINC001167274390	771850425	/nfs/dbraw/zinc/85/04/25/771850425.db2.gz	PQYOQROWUFVXOG-KGLIPLIRSA-N	1	0	350.488	1.814	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2C=CC=CC=C2)C[C@H]1C	ZINC001104248603	771922971	/nfs/dbraw/zinc/92/29/71/771922971.db2.gz	KVLBYHFZWRBFTM-ZIFCJYIRSA-N	1	0	355.482	1.497	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)c4ccc[nH]4)[C@@H]3C2)CC1	ZINC001021069828	772076400	/nfs/dbraw/zinc/07/64/00/772076400.db2.gz	VQRAIABXMHQGTF-FUHWJXTLSA-N	1	0	354.454	1.033	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC(C)CC2)C1	ZINC000970239113	772156274	/nfs/dbraw/zinc/15/62/74/772156274.db2.gz	IRIUQCNBQSAUHF-AOIWGVFYSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)cc1	ZINC000972236643	782990172	/nfs/dbraw/zinc/99/01/72/782990172.db2.gz	HDWKMHVVFOJJHA-CEXWTWQISA-N	1	0	351.450	1.293	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1coc3c1C(=O)NCCC3)C2	ZINC001112482461	772338381	/nfs/dbraw/zinc/33/83/81/772338381.db2.gz	XSTPTRILVLBCEI-XOBRGWDASA-N	1	0	355.438	1.421	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnn(C)n2)C1)OCC	ZINC001104255410	772434320	/nfs/dbraw/zinc/43/43/20/772434320.db2.gz	PNCIBVVQOWRDGS-NUJGCVRESA-N	1	0	363.506	1.761	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1C	ZINC001104258183	772482061	/nfs/dbraw/zinc/48/20/61/772482061.db2.gz	XSRLHMDNOSTONV-BZUAXINKSA-N	1	0	359.536	1.355	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)CCNC(=O)c2ccncc2)C[C@H]1C	ZINC001104259555	772499918	/nfs/dbraw/zinc/49/99/18/772499918.db2.gz	SUMVPXRKMMVCFB-SJLPKXTDSA-N	1	0	356.470	1.299	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CCn2ccccc2=O)C[C@H]1C	ZINC001104262771	772549557	/nfs/dbraw/zinc/54/95/57/772549557.db2.gz	MPPORZYOHRPYMA-QZTJIDSGSA-N	1	0	361.486	1.515	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@@H]2O)C1	ZINC000970399285	772559962	/nfs/dbraw/zinc/55/99/62/772559962.db2.gz	YANLUDSYJVFFEU-IKGGRYGDSA-N	1	0	363.502	1.294	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2sccc2C#N)CCN1c1cc[nH+]cc1	ZINC000890985389	772640938	/nfs/dbraw/zinc/64/09/38/772640938.db2.gz	ZCBIPWFJSDLXEP-GFCCVEGCSA-N	1	0	355.423	1.691	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ncc(C)cc1C)C2	ZINC001112484548	772676897	/nfs/dbraw/zinc/67/68/97/772676897.db2.gz	WNTRWHYFIWNOCA-UWJYYQICSA-N	1	0	368.481	1.280	20	30		FDEDRO
C[C@@H]1CCN(C(=O)Cn2cnnn2)[C@H](C[NH2+]Cc2ccc(C#N)s2)C1	ZINC001087118159	772688709	/nfs/dbraw/zinc/68/87/09/772688709.db2.gz	XHYMUEPHECRRDG-OLZOCXBDSA-N	1	0	359.459	1.023	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(F)(F)C2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104272264	772707471	/nfs/dbraw/zinc/70/74/71/772707471.db2.gz	VNYQXJUYXPFEMJ-HZSPNIEDSA-N	1	0	356.417	1.136	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2[nH]ccc2C2CC2)C[C@H]1C	ZINC001104278289	772737836	/nfs/dbraw/zinc/73/78/36/772737836.db2.gz	OEZGMKWELGODRP-GDBMZVCRSA-N	1	0	356.470	1.329	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC3CC3)C2)CCC1	ZINC001104279822	772756387	/nfs/dbraw/zinc/75/63/87/772756387.db2.gz	RCCVMFHNEXZPRR-BRWVUGGUSA-N	1	0	359.514	1.921	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)c4ocnc4C)[C@@H]3C2)CC1	ZINC001021313224	772859010	/nfs/dbraw/zinc/85/90/10/772859010.db2.gz	YLORXDLWQVBRCL-DLBZAZTESA-N	1	0	370.453	1.001	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)[C@H]4[C@@H]5CCC[C@@H]54)[C@@H]3C2)CC1	ZINC001021323770	772904435	/nfs/dbraw/zinc/90/44/35/772904435.db2.gz	JYUJHECDGQQSME-CENDIDJXSA-N	1	0	369.509	1.437	20	30		FDEDRO
C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1	ZINC000275643341	772913650	/nfs/dbraw/zinc/91/36/50/772913650.db2.gz	FCUFMDBYMVOVAP-OAHLLOKOSA-N	1	0	357.458	1.385	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCc2cnn(C)c2)C1	ZINC000970560702	772955199	/nfs/dbraw/zinc/95/51/99/772955199.db2.gz	PMXXBGHXBFXFOE-SNRMKQJTSA-N	1	0	360.502	1.770	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1	ZINC000947236612	773111128	/nfs/dbraw/zinc/11/11/28/773111128.db2.gz	XBQBUPFBPHBCDR-KURKYZTESA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@]1(C)C[C@H]3C[C@H]3C1)C2	ZINC001112487798	773147776	/nfs/dbraw/zinc/14/77/76/773147776.db2.gz	KRVSWHIZVMWAPL-ZCZMFWIKSA-N	1	0	357.498	1.390	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4CC4(C)C)[C@@H]3C2)CC1	ZINC001021410890	773232202	/nfs/dbraw/zinc/23/22/02/773232202.db2.gz	AILJEJCOZOBDFQ-OKZBNKHCSA-N	1	0	357.498	1.437	20	30		FDEDRO
CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2cccc(OCC#N)c2)CC1	ZINC000275716547	773296326	/nfs/dbraw/zinc/29/63/26/773296326.db2.gz	RDHMZSKDHDNMCY-UHFFFAOYSA-N	1	0	358.442	1.860	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC#C[C@@H]2CCCCO2)CC1=O	ZINC000891126063	773335269	/nfs/dbraw/zinc/33/52/69/773335269.db2.gz	FMIFZZNHZUVHGI-KSZLIROESA-N	1	0	361.486	1.008	20	30		FDEDRO
C#CC1(F)CN(C(=O)C(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)C1	ZINC000891169314	773523522	/nfs/dbraw/zinc/52/35/22/773523522.db2.gz	LJZCDQHLHWKWSJ-UHFFFAOYSA-N	1	0	374.416	1.007	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)CCc4ncc[nH]4)[C@@H]3C2)nc1	ZINC001021490307	773589431	/nfs/dbraw/zinc/58/94/31/773589431.db2.gz	JVEJJMHAWDBKHG-DOTOQJQBSA-N	1	0	363.421	1.092	20	30		FDEDRO
O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000328697138	773600202	/nfs/dbraw/zinc/60/02/02/773600202.db2.gz	UNPCUMUZKDBDHW-IGKNDFSCSA-N	1	0	363.502	1.825	20	30		FDEDRO
C[C@@H]1CCN(C(=O)CCn2cncn2)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087122553	773691951	/nfs/dbraw/zinc/69/19/51/773691951.db2.gz	YWOWASZIYQVLSP-APWZRJJASA-N	1	0	366.469	1.957	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(CNC(C)=O)s3)[C@H]2C1	ZINC001083206692	773698993	/nfs/dbraw/zinc/69/89/93/773698993.db2.gz	OBOCJMJEUPLVPX-JKSUJKDBSA-N	1	0	363.483	1.486	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c[nH]nc1[C@H]1CCOC1)C2	ZINC001112494836	773940531	/nfs/dbraw/zinc/94/05/31/773940531.db2.gz	XORZUUFRDWODNO-FTRWYGJKSA-N	1	0	356.470	1.769	20	30		FDEDRO
CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1C	ZINC001104297257	774037309	/nfs/dbraw/zinc/03/73/09/774037309.db2.gz	IHHMALAUOXPMQG-QZTJIDSGSA-N	1	0	367.534	1.890	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)nn1	ZINC000891246256	774082147	/nfs/dbraw/zinc/08/21/47/774082147.db2.gz	BJKTZHYWMHHQPT-SFHVURJKSA-N	1	0	356.474	1.953	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000275871883	774199027	/nfs/dbraw/zinc/19/90/27/774199027.db2.gz	ZBARGMMUMSUSIM-HXUWFJFHSA-N	1	0	360.502	1.939	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)C1CCC1)C2	ZINC001112495993	774327568	/nfs/dbraw/zinc/32/75/68/774327568.db2.gz	CEUMWTLGWOOISG-UWJYYQICSA-N	1	0	359.514	1.780	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](OC)C1CCC1)C2	ZINC001112496459	774335244	/nfs/dbraw/zinc/33/52/44/774335244.db2.gz	XWCXDGXYLQVQSQ-QRFRQXIXSA-N	1	0	363.502	1.322	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1	ZINC000275885992	774351340	/nfs/dbraw/zinc/35/13/40/774351340.db2.gz	PBOZTUMBXCFMAH-OAHLLOKOSA-N	1	0	357.454	1.826	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1	ZINC000275886433	774356516	/nfs/dbraw/zinc/35/65/16/774356516.db2.gz	LXUBEZCAKOSICR-ZWKOTPCHSA-N	1	0	355.438	1.100	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccn(C)n2)C1	ZINC001104305998	774437728	/nfs/dbraw/zinc/43/77/28/774437728.db2.gz	FJEKVTVQCAQTPO-LMMKCTJWSA-N	1	0	357.502	1.092	20	30		FDEDRO
C#C[C@H](C)NC(=O)C(=O)Nc1ccc(OC)c(OCC[NH+](CC)CC)c1	ZINC000275921303	774533832	/nfs/dbraw/zinc/53/38/32/774533832.db2.gz	HIRWLEZBXAABCV-AWEZNQCLSA-N	1	0	361.442	1.492	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1	ZINC001021701683	774677622	/nfs/dbraw/zinc/67/76/22/774677622.db2.gz	CLKYPGVLZUKAOV-XYJFISCASA-N	1	0	356.470	1.299	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(=O)NC(C)(C)C)CC1	ZINC001167435328	774843569	/nfs/dbraw/zinc/84/35/69/774843569.db2.gz	SZEGAFSJLKIWPG-RDJZCZTQSA-N	1	0	365.518	1.758	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCc3ccc(C#N)cc32)[C@@H](C)C1	ZINC000275987770	774859531	/nfs/dbraw/zinc/85/95/31/774859531.db2.gz	IDTDTJOSAWPBND-WMLDXEAASA-N	1	0	354.454	1.636	20	30		FDEDRO
CCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)N(CC)CCC#N)C1	ZINC001211503593	774932646	/nfs/dbraw/zinc/93/26/46/774932646.db2.gz	DOSPELSPWIBNHA-ZWKOTPCHSA-N	1	0	356.470	1.743	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C)s3)[C@@H]2C1	ZINC000971128235	774942077	/nfs/dbraw/zinc/94/20/77/774942077.db2.gz	GLJOPVMTDIFVKE-IXDOHACOSA-N	1	0	371.506	1.827	20	30		FDEDRO
C=C1CC(C)(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)C1	ZINC000972312876	783232225	/nfs/dbraw/zinc/23/22/25/783232225.db2.gz	LDQGZTHLTFJCEJ-KZNAEPCWSA-N	1	0	357.498	1.744	20	30		FDEDRO
Cc1cc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cc(C#N)c[nH]2)nn1C	ZINC001087143953	775222676	/nfs/dbraw/zinc/22/26/76/775222676.db2.gz	SUFUULGZZVDSQM-DYVFJYSZSA-N	1	0	354.458	1.959	20	30		FDEDRO
CCn1nncc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC001087144014	775223243	/nfs/dbraw/zinc/22/32/43/775223243.db2.gz	VQYRHAGIHFJUHX-HIFRSBDPSA-N	1	0	355.446	1.528	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)N3CCN(C)CC[N@@H+](C)CC3)cc21	ZINC000933087731	775305232	/nfs/dbraw/zinc/30/52/32/775305232.db2.gz	GTYQFDKGLQYZPY-UHFFFAOYSA-N	1	0	356.474	1.933	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(OCC#N)c2)[C@H](C)C1	ZINC000276053465	775551347	/nfs/dbraw/zinc/55/13/47/775551347.db2.gz	MZZCZLVHDZYYCH-PBHICJAKSA-N	1	0	358.442	1.716	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cncc(N4CCCC4)n3)[C@H]2C1	ZINC001083215003	775670049	/nfs/dbraw/zinc/67/00/49/775670049.db2.gz	CGNXVFHIYQWZOE-ZWKOTPCHSA-N	1	0	371.485	1.568	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2c[nH]c(C#N)c2)C1=O	ZINC001087152131	776085038	/nfs/dbraw/zinc/08/50/38/776085038.db2.gz	CVEMOPNFOHQKHZ-FHLIZLRMSA-N	1	0	369.469	1.504	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)c4ccc[nH]4)C[C@H]32)CC1	ZINC001021884237	776498679	/nfs/dbraw/zinc/49/86/79/776498679.db2.gz	UZCGKVHAWOOPMP-FUHWJXTLSA-N	1	0	354.454	1.033	20	30		FDEDRO
C[C@@H]1CCN(C(=O)CN2CN=NC2=O)[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001087153446	776501670	/nfs/dbraw/zinc/50/16/70/776501670.db2.gz	VEEPPCGDBUZNKA-PBHICJAKSA-N	1	0	368.441	1.272	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cn3c(n2)COCC3)C[C@H]1C	ZINC001104352290	776606517	/nfs/dbraw/zinc/60/65/17/776606517.db2.gz	NPHOOMBBKFSEAK-HZPDHXFCSA-N	1	0	362.474	1.304	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C[C@H]1C	ZINC001104352387	776606628	/nfs/dbraw/zinc/60/66/28/776606628.db2.gz	RYPDIRFCLJACBO-TUVASFSCSA-N	1	0	362.392	1.430	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3c(c2)nnn3C)C[C@H]1C	ZINC001104353844	776826141	/nfs/dbraw/zinc/82/61/41/776826141.db2.gz	JLVYENNKAWUXCP-NVXWUHKLSA-N	1	0	371.485	1.859	20	30		FDEDRO
C=C(C)C[C@@H](CO)NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1	ZINC000891407237	776913916	/nfs/dbraw/zinc/91/39/16/776913916.db2.gz	POOWMGMAJHPAOU-SFHVURJKSA-N	1	0	359.470	1.707	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1c1ccccc1	ZINC001211515401	776985804	/nfs/dbraw/zinc/98/58/04/776985804.db2.gz	SBYCYPRBOPGOSJ-VQTJNVASSA-N	1	0	356.466	1.647	20	30		FDEDRO
CCCc1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC#CCOC)C2)[nH]n1	ZINC001112505495	776989787	/nfs/dbraw/zinc/98/97/87/776989787.db2.gz	RKXACEJSESOFMK-JXFKEZNVSA-N	1	0	358.486	1.844	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2cnn(CC)n2)C1	ZINC001075420926	777049040	/nfs/dbraw/zinc/04/90/40/777049040.db2.gz	BIYFVJCLQWLPGO-SJLPKXTDSA-N	1	0	369.444	1.906	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2ncn(C)n2)C1	ZINC001075421138	777057163	/nfs/dbraw/zinc/05/71/63/777057163.db2.gz	NEJQVRZCHKANTK-NVXWUHKLSA-N	1	0	355.417	1.423	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cnnn2-c2ccccc2)C[C@H]1C	ZINC001104737541	790506967	/nfs/dbraw/zinc/50/69/67/790506967.db2.gz	IGFDQLKXMLXIGV-IAGOWNOFSA-N	1	0	351.454	1.978	20	30		FDEDRO
Cc1cccc([C@@H](C)C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)c1	ZINC001104736265	790525122	/nfs/dbraw/zinc/52/51/22/790525122.db2.gz	RCFBBYIVNVTESX-ZHALLVOQSA-N	1	0	370.497	1.813	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001087160195	777637627	/nfs/dbraw/zinc/63/76/27/777637627.db2.gz	YUINOXWYVGTFJI-COXVUDFISA-N	1	0	356.426	1.383	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087160205	777641973	/nfs/dbraw/zinc/64/19/73/777641973.db2.gz	ZKXLQEDIUZLJOM-XOKHGSTOSA-N	1	0	356.426	1.383	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1	ZINC000971567184	777673330	/nfs/dbraw/zinc/67/33/30/777673330.db2.gz	GEFDBPLBQPLOFS-HSALFYBXSA-N	1	0	365.477	1.364	20	30		FDEDRO
CCc1nnc(C)cc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C1	ZINC001104365060	777751395	/nfs/dbraw/zinc/75/13/95/777751395.db2.gz	RWSPPVRMGGPQEQ-NVXWUHKLSA-N	1	0	358.486	1.685	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)C1	ZINC001022099249	777908049	/nfs/dbraw/zinc/90/80/49/777908049.db2.gz	GTGIBPSXDWZOTN-UUAJXVIYSA-N	1	0	370.515	1.029	20	30		FDEDRO
COc1ccc(C[C@@](C)(CO)[NH2+]C[C@H](O)COc2ccc(C#N)cc2)cc1	ZINC000933424981	778101659	/nfs/dbraw/zinc/10/16/59/778101659.db2.gz	VZBOOTXMIAIEBR-RXVVDRJESA-N	1	0	370.449	1.890	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C#CC2CC2)[C@H](C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1	ZINC001087164740	778104987	/nfs/dbraw/zinc/10/49/87/778104987.db2.gz	NCMMLLHSXWBVMN-NJAFHUGGSA-N	1	0	366.527	1.441	20	30		FDEDRO
CC#CCN1C[C@H]2OCCN(C(=O)Cc3ccccc3OC(C)C)[C@H]2C1	ZINC001083223133	778306321	/nfs/dbraw/zinc/30/63/21/778306321.db2.gz	GHKKOHMLRPWPRZ-AZUAARDMSA-N	1	0	356.466	1.951	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2	ZINC000891557642	778308183	/nfs/dbraw/zinc/30/81/83/778308183.db2.gz	UIJXHEXPGHUBSD-KRWDZBQOSA-N	1	0	357.454	1.657	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnn(C(C)(C)C)c2)C[C@H]1C	ZINC001104375202	778588319	/nfs/dbraw/zinc/58/83/19/778588319.db2.gz	AHATWYLTJLOYSZ-IAGOWNOFSA-N	1	0	360.502	1.976	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)cc1F	ZINC001022228551	778776846	/nfs/dbraw/zinc/77/68/46/778776846.db2.gz	IBAXIZBYBXOOTI-QKPAOTATSA-N	1	0	353.401	1.961	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C=C(C)C)C[C@H]1c1ccccc1	ZINC001211520786	778778740	/nfs/dbraw/zinc/77/87/40/778778740.db2.gz	SSCOOSFOVDOIPR-YTQUADARSA-N	1	0	353.466	1.675	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)c1	ZINC001022230033	778783075	/nfs/dbraw/zinc/78/30/75/778783075.db2.gz	OSPVFGWTINPLBY-QKPAOTATSA-N	1	0	353.401	1.961	20	30		FDEDRO
N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccsc2)C[C@H]1c1ccccc1	ZINC001211522271	778959227	/nfs/dbraw/zinc/95/92/27/778959227.db2.gz	KTMOECBQGGRFKD-DLBZAZTESA-N	1	0	368.462	1.586	20	30		FDEDRO
N#Cc1ccc(NCCC[NH+]2CCN(c3ncccn3)CC2)c(CO)c1	ZINC000891684269	778960349	/nfs/dbraw/zinc/96/03/49/778960349.db2.gz	QALWTKZXKMJPTR-UHFFFAOYSA-N	1	0	352.442	1.465	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1	ZINC001022273313	779060495	/nfs/dbraw/zinc/06/04/95/779060495.db2.gz	GYQAJBPJYSZKAL-GRDNDAEWSA-N	1	0	364.409	1.100	20	30		FDEDRO
O=C1C=COC2(CC[NH+](C[C@@]3(O)CCN(Cc4ccccc4)C3)CC2)C1	ZINC000933644600	779253123	/nfs/dbraw/zinc/25/31/23/779253123.db2.gz	BVKMMJZMZXOJIG-FQEVSTJZSA-N	1	0	356.466	1.961	20	30		FDEDRO
N#CCCCCNC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	ZINC000510555916	779372009	/nfs/dbraw/zinc/37/20/09/779372009.db2.gz	XGUHXIVTSNUULA-UHFFFAOYSA-N	1	0	363.506	1.704	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCC(C)(C)C#N)cc2)CC1	ZINC000510662447	779504851	/nfs/dbraw/zinc/50/48/51/779504851.db2.gz	BZHXUCLSHNCALB-UHFFFAOYSA-N	1	0	371.485	1.429	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CCCC(C)=O)C[C@H]1c1ccccc1	ZINC001211530333	780716839	/nfs/dbraw/zinc/71/68/39/780716839.db2.gz	XDUYNBHNLPLJPN-VQTJNVASSA-N	1	0	356.466	1.980	20	30		FDEDRO
Cc1n[nH]c(C)c1[C@@H]1COCCN1CC(=O)NC1CC[NH+](C2CC2)CC1	ZINC000329013206	780891730	/nfs/dbraw/zinc/89/17/30/780891730.db2.gz	FGVOXIOMJHPORX-KRWDZBQOSA-N	1	0	361.490	1.983	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)CC1	ZINC000891994360	781131811	/nfs/dbraw/zinc/13/18/11/781131811.db2.gz	YMOJCQVAUALGFA-UHFFFAOYSA-N	1	0	359.470	1.925	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C	ZINC001104396680	781223898	/nfs/dbraw/zinc/22/38/98/781223898.db2.gz	XWUGWOJKEIZWES-IXDOHACOSA-N	1	0	356.532	1.852	20	30		FDEDRO
Cn1nnc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC#Cc3ccccc3)C2)n1	ZINC001112510184	781476133	/nfs/dbraw/zinc/47/61/33/781476133.db2.gz	AVOZXUVNBPNYSZ-PXNSSMCTSA-N	1	0	364.453	1.094	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccccc2OCC(N)=O)C[C@H]1C	ZINC001104400530	781837843	/nfs/dbraw/zinc/83/78/43/781837843.db2.gz	LXNNDDHXQBWDSO-HZPDHXFCSA-N	1	0	357.454	1.262	20	30		FDEDRO
C[NH+](C)CCn1ncc(C(=O)N2CCN(CC#N)CC2)c1-c1ccccc1	ZINC000277764823	783238186	/nfs/dbraw/zinc/23/81/86/783238186.db2.gz	SNJASLGKXCESEZ-UHFFFAOYSA-N	1	0	366.469	1.393	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C#N)s2)C1	ZINC000972348619	783395295	/nfs/dbraw/zinc/39/52/95/783395295.db2.gz	MJNMVCSRWOYVRU-MAZHCROVSA-N	1	0	360.483	1.377	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N2CCO[C@@H]3CN(Cc4ccc(C#N)cc4)C[C@@H]32)C1	ZINC001083248062	783427279	/nfs/dbraw/zinc/42/72/79/783427279.db2.gz	QFZDZPSAEDVPCS-SLFFLAALSA-N	1	0	368.481	1.312	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1	ZINC001024137668	783825761	/nfs/dbraw/zinc/82/57/61/783825761.db2.gz	WFUZHOFRIYKIGJ-QLFBSQMISA-N	1	0	371.909	1.327	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ncnn2C(C)C)C1	ZINC001024164736	784156367	/nfs/dbraw/zinc/15/63/67/784156367.db2.gz	GTJAXEPBGYLJSF-ZACQAIPSSA-N	1	0	361.490	1.778	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1c1ccccc1	ZINC001211631773	784890869	/nfs/dbraw/zinc/89/08/69/784890869.db2.gz	NQJLTGNBWPZSBA-ZWKOTPCHSA-N	1	0	367.449	1.133	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN(C(C)=O)C2)C[C@H]1c1ccccc1	ZINC001211631788	784901892	/nfs/dbraw/zinc/90/18/92/784901892.db2.gz	OPRAONOTKAFLBO-PCCBWWKXSA-N	1	0	367.493	1.852	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)N3C4CCC3(C[NH3+])CC4)CC2)cc1	ZINC000892477732	784965396	/nfs/dbraw/zinc/96/53/96/784965396.db2.gz	XSPBYWZPCAINHC-UHFFFAOYSA-N	1	0	353.470	1.752	20	30		FDEDRO
C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	ZINC001024509703	784975767	/nfs/dbraw/zinc/97/57/67/784975767.db2.gz	XYPKMKNEUXEVQN-MJBXVCDLSA-N	1	0	350.381	1.880	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4cnccn4)[C@@H]3C2)cc1	ZINC001075504034	785688927	/nfs/dbraw/zinc/68/89/27/785688927.db2.gz	RMOSEOXNWYNUAD-QFBILLFUSA-N	1	0	363.421	1.725	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCc1cnn(C)c1	ZINC001024702467	785770317	/nfs/dbraw/zinc/77/03/17/785770317.db2.gz	VPKDFOGPXKTISQ-FHWLQOOXSA-N	1	0	360.502	1.915	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2cn(C)nc2Br)CC1	ZINC000924560416	785911541	/nfs/dbraw/zinc/91/15/41/785911541.db2.gz	BQHSSWVEDVAMIT-UHFFFAOYSA-N	1	0	354.252	1.079	20	30		FDEDRO
N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC[N@@H+](C3CCOCC3)CC2)cc1	ZINC000376145657	785995226	/nfs/dbraw/zinc/99/52/26/785995226.db2.gz	BQVPZKZMCJHLGR-IBGZPJMESA-N	1	0	366.465	1.954	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCc3scnc3C)C[C@H]21	ZINC000978725188	805701666	/nfs/dbraw/zinc/70/16/66/805701666.db2.gz	BJVVWFOSNBHPQY-MTSZKFMLSA-N	1	0	361.511	1.879	20	30		FDEDRO
C=C(Br)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@@H]2C1	ZINC000978741051	805735981	/nfs/dbraw/zinc/73/59/81/805735981.db2.gz	LQURAUZHETXCNQ-MBIARJLFSA-N	1	0	355.276	1.757	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]3C2)c1	ZINC000972966625	786932968	/nfs/dbraw/zinc/93/29/68/786932968.db2.gz	GROFDVFTOGLTPQ-KBAYOESNSA-N	1	0	354.454	1.076	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1	ZINC000376310980	787224746	/nfs/dbraw/zinc/22/47/46/787224746.db2.gz	KZMDWINARHLZKJ-BQFCYCMXSA-N	1	0	367.449	1.580	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1	ZINC000936119040	787296476	/nfs/dbraw/zinc/29/64/76/787296476.db2.gz	AXBYDKPXKHVDFK-OLMNPRSZSA-N	1	0	368.437	1.565	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCNC(=O)CC2)C[C@H]1c1ccccc1	ZINC001211640193	787380613	/nfs/dbraw/zinc/38/06/13/787380613.db2.gz	QAAYBEWXFDPKTO-CEXWTWQISA-N	1	0	353.466	1.510	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1	ZINC000892584432	787468552	/nfs/dbraw/zinc/46/85/52/787468552.db2.gz	KDNJFMOIBSXLRV-BCDXTJNWSA-N	1	0	353.470	1.920	20	30		FDEDRO
C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)[C@@H]2C1	ZINC000978834507	805816105	/nfs/dbraw/zinc/81/61/05/805816105.db2.gz	AMLWKBYRGLLVRU-OVYGPGRDSA-N	1	0	364.877	1.335	20	30		FDEDRO
C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CCN1C1CC[NH+](C)CC1	ZINC000376448776	787835383	/nfs/dbraw/zinc/83/53/83/787835383.db2.gz	KDEPDMWBXGZNLW-CYBMUJFWSA-N	1	0	358.446	1.653	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc[nH]c2CCC)C[C@H]1C	ZINC001104566005	787974962	/nfs/dbraw/zinc/97/49/62/787974962.db2.gz	CNNQJNDMCMTLCA-HZPDHXFCSA-N	1	0	358.486	1.404	20	30		FDEDRO
CCn1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)c1C	ZINC001104569262	788038298	/nfs/dbraw/zinc/03/82/98/788038298.db2.gz	QUAKRHPAGNPBQU-GDBMZVCRSA-N	1	0	359.474	1.144	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@]2(COC)CCOC2)C[C@H]1c1ccccc1	ZINC001211642557	788056544	/nfs/dbraw/zinc/05/65/44/788056544.db2.gz	IYYNJTPEFQQJPM-ZVDOUQERSA-N	1	0	356.466	1.647	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1	ZINC000181375656	788337850	/nfs/dbraw/zinc/33/78/50/788337850.db2.gz	BJBWNIOXHQPAKJ-UONOGXRCSA-N	1	0	358.442	1.864	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1	ZINC000181375625	788338147	/nfs/dbraw/zinc/33/81/47/788338147.db2.gz	BJBWNIOXHQPAKJ-KBPBESRZSA-N	1	0	358.442	1.864	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccoc2C2CC2)C[C@H]1C	ZINC001104587657	788737193	/nfs/dbraw/zinc/73/71/93/788737193.db2.gz	ORZZDHGREWSISD-HLLBOEOZSA-N	1	0	371.481	1.983	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2occc2C[NH+](C)C)C1	ZINC001025341357	788829315	/nfs/dbraw/zinc/82/93/15/788829315.db2.gz	ASVWWZBJVIPMHL-HUUCEWRRSA-N	1	0	363.458	1.245	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc3[nH]ccc3c2)C[C@H]1C	ZINC001104606165	788845782	/nfs/dbraw/zinc/84/57/82/788845782.db2.gz	XQXZWWWPLVRSTP-CRAIPNDOSA-N	1	0	366.465	1.605	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC[C@@H]2CCOC2)C1	ZINC001104607324	788848721	/nfs/dbraw/zinc/84/87/21/788848721.db2.gz	PDUGCPQENNDPKO-FGTMMUONSA-N	1	0	365.518	1.570	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C2)CC1	ZINC001104629886	789015257	/nfs/dbraw/zinc/01/52/57/789015257.db2.gz	OTFTUZXQSABLJN-UKRRQHHQSA-N	1	0	350.463	1.002	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCNC(=O)C3CC3)C2)c1	ZINC001104659837	789209831	/nfs/dbraw/zinc/20/98/31/789209831.db2.gz	WDSBZXRFXNFUNQ-CRAIPNDOSA-N	1	0	368.481	1.277	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC(C)C)C2)c1	ZINC001104659845	789209909	/nfs/dbraw/zinc/20/99/09/789209909.db2.gz	WKVVHWNCUUTFCO-SJLPKXTDSA-N	1	0	370.497	1.523	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3Cc4cc(C)c(C)cc4O3)[C@H]2C1	ZINC001083280661	789243572	/nfs/dbraw/zinc/24/35/72/789243572.db2.gz	AKINTLGMONDAAO-YSIASYRMSA-N	1	0	354.450	1.542	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCc2cncs2)C[C@H]1C	ZINC001104682172	789358966	/nfs/dbraw/zinc/35/89/66/789358966.db2.gz	FFZHJPBSQZLTBF-HUUCEWRRSA-N	1	0	364.515	1.452	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCCN(Cc3nccn3C)C2=O)cc1	ZINC000782977962	789542950	/nfs/dbraw/zinc/54/29/50/789542950.db2.gz	HFHHLVKTMISKHV-QAPCUYQASA-N	1	0	367.453	1.992	20	30		FDEDRO
C=CCCC1(CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CCCC1	ZINC000659716757	789544007	/nfs/dbraw/zinc/54/40/07/789544007.db2.gz	CKJPURYRWHNHIE-LSDHHAIUSA-N	1	0	351.491	1.858	20	30		FDEDRO
C[NH+](C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NCCn1cnc(C#N)n1	ZINC000376666774	789622404	/nfs/dbraw/zinc/62/24/04/789622404.db2.gz	LKBXMSGSNABOGL-WBVHZDCISA-N	1	0	353.430	1.067	20	30		FDEDRO
C=C[C@H](CO)[NH2+]CC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F	ZINC000662167661	806054481	/nfs/dbraw/zinc/05/44/81/806054481.db2.gz	LFDRHFOXCBSUDD-LLVKDONJSA-N	1	0	359.348	1.239	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2CC23CCN(c2ccncc2C#N)CC3)O1	ZINC001058655866	791704588	/nfs/dbraw/zinc/70/45/88/791704588.db2.gz	NDENBLLOWATRIL-OLMNPRSZSA-N	1	0	369.469	1.147	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccnc(C3CC3)n2)C[C@H]1C	ZINC001104746848	791861496	/nfs/dbraw/zinc/86/14/96/791861496.db2.gz	WJHZAIMVVRBKBX-GDBMZVCRSA-N	1	0	371.485	1.344	20	30		FDEDRO
COC(=O)c1cc(CN2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cn1C	ZINC000377548596	792177590	/nfs/dbraw/zinc/17/75/90/792177590.db2.gz	HWMMOPVKOIENCK-VLIAUNLRSA-N	1	0	364.405	1.657	20	30		FDEDRO
CCCN(C(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1)[C@H]1CC[NH2+]C1	ZINC000415413569	792218673	/nfs/dbraw/zinc/21/86/73/792218673.db2.gz	YXKCFHDQBRBWQC-INIZCTEOSA-N	1	0	358.442	1.884	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1	ZINC000415435392	792265236	/nfs/dbraw/zinc/26/52/36/792265236.db2.gz	JJELSXQCVHVBFB-UONOGXRCSA-N	1	0	373.457	1.518	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1	ZINC000415437669	792270853	/nfs/dbraw/zinc/27/08/53/792270853.db2.gz	KQIVWIOUUACGHC-ZFWWWQNUSA-N	1	0	358.442	1.870	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1	ZINC000415437660	792270967	/nfs/dbraw/zinc/27/09/67/792270967.db2.gz	KQIVWIOUUACGHC-DZGCQCFKSA-N	1	0	358.442	1.870	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)n2)c(F)c1	ZINC000415444867	792278271	/nfs/dbraw/zinc/27/82/71/792278271.db2.gz	RRMJWFKUOLVOCZ-LZWOXQAQSA-N	1	0	368.416	2.474	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)COc3cc(F)cc(F)c3)[C@H]2C1	ZINC001083286651	792416749	/nfs/dbraw/zinc/41/67/49/792416749.db2.gz	WADZOXAGBQUXTA-DLBZAZTESA-N	1	0	350.365	1.279	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1	ZINC000377664844	792454693	/nfs/dbraw/zinc/45/46/93/792454693.db2.gz	BIHGYULBCXDTMO-GOSISDBHSA-N	1	0	371.485	1.509	20	30		FDEDRO
CN1CCN([C@@H](C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c2ccccc2)CC1	ZINC000377666563	792459583	/nfs/dbraw/zinc/45/95/83/792459583.db2.gz	DRKUKBLPPGTSCA-VQTJNVASSA-N	1	0	367.497	1.174	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1	ZINC000415637245	792730792	/nfs/dbraw/zinc/73/07/92/792730792.db2.gz	ATXJNXAFFWCKSB-UHFFFAOYSA-N	1	0	356.426	1.498	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)c1	ZINC000415672653	792784708	/nfs/dbraw/zinc/78/47/08/792784708.db2.gz	FORXUBVMMATLPV-LLVKDONJSA-N	1	0	366.368	1.686	20	30		FDEDRO
C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c1	ZINC000415712175	792854912	/nfs/dbraw/zinc/85/49/12/792854912.db2.gz	QJDCKYITAFFYPA-KRWDZBQOSA-N	1	0	372.469	1.086	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1c1ccccc1	ZINC001211650673	792865322	/nfs/dbraw/zinc/86/53/22/792865322.db2.gz	SHFVLRDLKGZPAL-BHYGNILZSA-N	1	0	354.458	1.763	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1C#N	ZINC000415758913	792930493	/nfs/dbraw/zinc/93/04/93/792930493.db2.gz	PQOYOLXVQSPXND-GASCZTMLSA-N	1	0	370.453	1.742	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)c1	ZINC000415773560	792959121	/nfs/dbraw/zinc/95/91/21/792959121.db2.gz	WHEWJLIBUMPYGL-UHFFFAOYSA-N	1	0	370.453	1.910	20	30		FDEDRO
CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1	ZINC000415777510	792974689	/nfs/dbraw/zinc/97/46/89/792974689.db2.gz	DAHBSXVTLOLNAY-CQSZACIVSA-N	1	0	354.414	1.153	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)c3ccc(F)cc3)C[C@H]21	ZINC001026054550	793016575	/nfs/dbraw/zinc/01/65/75/793016575.db2.gz	HJHSALMDECTVSA-QKDSSNGWSA-N	1	0	360.429	1.497	20	30		FDEDRO
C[C@H]1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C[C@H]1C[NH3+]	ZINC000415840261	793111938	/nfs/dbraw/zinc/11/19/38/793111938.db2.gz	FZMAERYOLIGQHZ-LSDHHAIUSA-N	1	0	358.442	1.751	20	30		FDEDRO
CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CC1	ZINC000415859665	793200602	/nfs/dbraw/zinc/20/06/02/793200602.db2.gz	MGACKQBDOHPKHO-INIZCTEOSA-N	1	0	358.417	1.872	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(Cl)c[nH]4)[C@@H]3C2)C1=O	ZINC001075541561	793245778	/nfs/dbraw/zinc/24/57/78/793245778.db2.gz	KXNRUBQKQHINDT-APHBMKBZSA-N	1	0	362.861	1.601	20	30		FDEDRO
N#Cc1cccc(-c2csc(NC(=O)C(=O)NCCC[NH2+]C3CC3)n2)c1	ZINC000415875407	793251670	/nfs/dbraw/zinc/25/16/70/793251670.db2.gz	YVKWEOLGBIMLEJ-UHFFFAOYSA-N	1	0	369.450	1.879	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1	ZINC000415882726	793287919	/nfs/dbraw/zinc/28/79/19/793287919.db2.gz	YCXDXNPSIVENTR-WMZOPIPTSA-N	1	0	370.453	1.550	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN([C@H](C)c3nc(CC)no3)C[C@H]21	ZINC001026101817	793302447	/nfs/dbraw/zinc/30/24/47/793302447.db2.gz	JTMYHOCJCGHLDO-GTLGIVGDSA-N	1	0	360.458	1.721	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)Nc3ccc(C[NH3+])cc3)C2=O)cc1	ZINC000415962580	793434201	/nfs/dbraw/zinc/43/42/01/793434201.db2.gz	TYPZEKVNGLLRCA-SFHVURJKSA-N	1	0	363.421	1.940	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]C[C@H]3CCCCO3)C2)nn1	ZINC001104769407	793556277	/nfs/dbraw/zinc/55/62/77/793556277.db2.gz	TXVIYSFHWOKJGP-BRWVUGGUSA-N	1	0	361.490	1.721	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(N)=O)C2)cc1	ZINC001104768869	793563718	/nfs/dbraw/zinc/56/37/18/793563718.db2.gz	SYLXPYWYMFSMKS-HLLBOEOZSA-N	1	0	357.454	1.260	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCOC(C)C)C2)nn1	ZINC001104777358	793599018	/nfs/dbraw/zinc/59/90/18/793599018.db2.gz	GQVJXXJOMZDXKT-IAGOWNOFSA-N	1	0	363.506	1.967	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)CNC(C)=O)C[C@H]1C	ZINC001104781400	793627250	/nfs/dbraw/zinc/62/72/50/793627250.db2.gz	UVHSHFRHGKHTTD-NVXWUHKLSA-N	1	0	353.507	1.426	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cc(CC)n[nH]2)C[C@H]1C(F)(F)F	ZINC001112049965	793657582	/nfs/dbraw/zinc/65/75/82/793657582.db2.gz	KRZAKCNIRQAGKP-TZMCWYRMSA-N	1	0	360.380	1.767	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1	ZINC001104786540	793658269	/nfs/dbraw/zinc/65/82/69/793658269.db2.gz	QVYRQXAVTYUZSD-ATZDWAIDSA-N	1	0	368.481	1.801	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)C#Cc1ccc2c(c1)OCO2	ZINC000378220350	793747331	/nfs/dbraw/zinc/74/73/31/793747331.db2.gz	KBHSDYQEFHZCSE-RYRKJORJSA-N	1	0	356.422	1.477	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(C[NH+]2CCC([C@@]3(C)NC(=O)NC3=O)CC2)cc1	ZINC000378337854	793968211	/nfs/dbraw/zinc/96/82/11/793968211.db2.gz	BDOIYYMZPVLRNK-ORAYPTAESA-N	1	0	356.426	1.788	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)Cn2c(C)cc(C)nc2=O)C[C@H]1C	ZINC001104842790	794021029	/nfs/dbraw/zinc/02/10/29/794021029.db2.gz	SBAHNPSTHGNVPX-CRAIPNDOSA-N	1	0	360.502	1.901	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CN(C)S(=O)(=O)CC)C[C@H]1C	ZINC001104856938	794085464	/nfs/dbraw/zinc/08/54/64/794085464.db2.gz	MHJCUTMBGWQILZ-HZPDHXFCSA-N	1	0	359.536	1.308	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)CCOC)C[C@H]1C	ZINC001104858481	794098635	/nfs/dbraw/zinc/09/86/35/794098635.db2.gz	INNNGOLBXJWDAP-HZPDHXFCSA-N	1	0	353.507	1.426	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnn(CC3CC3)c2)C[C@H]1C	ZINC001104880128	794192043	/nfs/dbraw/zinc/19/20/43/794192043.db2.gz	SWUFEPQIBVPFSK-SJLPKXTDSA-N	1	0	358.486	1.631	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)CCCOC)C[C@H]1C	ZINC001104882098	794195974	/nfs/dbraw/zinc/19/59/74/794195974.db2.gz	MFHUFENNWFWEQA-BRWVUGGUSA-N	1	0	353.507	1.426	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)c2cn([C@@H]3CCOC3)nn2)C[C@H]1C	ZINC001104882953	794198406	/nfs/dbraw/zinc/19/84/06/794198406.db2.gz	RMLRNUVOCBXPDN-BRWVUGGUSA-N	1	0	361.490	1.894	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnon2)C1	ZINC001104892614	794241066	/nfs/dbraw/zinc/24/10/66/794241066.db2.gz	FVLVVWMLHUDOTI-HUUCEWRRSA-N	1	0	371.441	1.917	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)c2ccccc2)C[C@H]1C	ZINC001104917875	794369918	/nfs/dbraw/zinc/36/99/18/794369918.db2.gz	QEWJQUIPJLDBSN-ZIFCJYIRSA-N	1	0	355.482	1.614	20	30		FDEDRO
Cc1cc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C#N)cn1	ZINC001058810073	806324615	/nfs/dbraw/zinc/32/46/15/806324615.db2.gz	FESBCUQWPMFWTN-NRSFXHEJSA-N	1	0	353.470	1.782	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H]2CCOC2)C1	ZINC001104921855	794398269	/nfs/dbraw/zinc/39/82/69/794398269.db2.gz	RKYQUUPTMWDHGV-FGTMMUONSA-N	1	0	371.481	1.818	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)C)C[C@H]1C	ZINC001104939891	794495012	/nfs/dbraw/zinc/49/50/12/794495012.db2.gz	LNJKPZLBZSOOGE-QLFBSQMISA-N	1	0	366.506	1.507	20	30		FDEDRO
COc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)cc1	ZINC001104943218	794503753	/nfs/dbraw/zinc/50/37/53/794503753.db2.gz	KXPYLGHBTRMRDS-GDBMZVCRSA-N	1	0	358.442	1.023	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cccc(OC)c2)C[C@H]1C	ZINC001104947608	794533167	/nfs/dbraw/zinc/53/31/67/794533167.db2.gz	ZHLCKGVLCQCQHJ-NVXWUHKLSA-N	1	0	359.470	1.685	20	30		FDEDRO
Cn1cc(C[NH2+]C2(CO)COC(C)(C)OC2)c(-c2ccc(C#N)cc2)n1	ZINC000365832152	794585923	/nfs/dbraw/zinc/58/59/23/794585923.db2.gz	VDRPLGQBFMDMPV-UHFFFAOYSA-N	1	0	356.426	1.562	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CN(C(C)=O)CCO2)C[C@H]1C	ZINC001104966891	794608408	/nfs/dbraw/zinc/60/84/08/794608408.db2.gz	JORPDHUDXDOKFW-KBAYOESNSA-N	1	0	351.491	1.274	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)Oc2ccccc2)C[C@H]1C	ZINC001104973352	794678625	/nfs/dbraw/zinc/67/86/25/794678625.db2.gz	MOFBZEFFGXGHDI-FGTMMUONSA-N	1	0	371.481	1.278	20	30		FDEDRO
CC[C@@H](C(=O)OC)N1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1	ZINC000511589220	794793053	/nfs/dbraw/zinc/79/30/53/794793053.db2.gz	WUFVSSFVJQWDMY-KRWDZBQOSA-N	1	0	358.442	1.456	20	30		FDEDRO
COC(=O)[C@@H]1CN(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC[N@H+](C)C1	ZINC000416934202	794796163	/nfs/dbraw/zinc/79/61/63/794796163.db2.gz	RZYNJANBMQCSLU-HNNXBMFYSA-N	1	0	374.441	1.914	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)COc2ccc(F)cc2)C[C@H]1C	ZINC001105000197	794826908	/nfs/dbraw/zinc/82/69/08/794826908.db2.gz	IJMBIUNLGWRCRF-IAGOWNOFSA-N	1	0	362.445	1.929	20	30		FDEDRO
CC(C)C[C@H](CNc1ncccc1C#N)NC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC001105002242	794832173	/nfs/dbraw/zinc/83/21/73/794832173.db2.gz	ZECRRIDJULZAKZ-DJIMGWMZSA-N	1	0	359.474	1.615	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccnc(C)n2)C[C@H]1C	ZINC001105022740	794951999	/nfs/dbraw/zinc/95/19/99/794951999.db2.gz	HDNHUQQWHWNNJV-IIAWOOMASA-N	1	0	359.474	1.164	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2nc(C)c(C)s2)C[C@H]1C	ZINC001105031802	794989252	/nfs/dbraw/zinc/98/92/52/794989252.db2.gz	HNFFVBOMIZEHJB-IUODEOHRSA-N	1	0	364.515	1.750	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1CC[NH2+]Cc1cnnn1C	ZINC001105044942	795052160	/nfs/dbraw/zinc/05/21/60/795052160.db2.gz	JRFKSWPPCJWECT-IEBWSBKVSA-N	1	0	365.481	1.831	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C)nc2C)C[C@H]1C	ZINC001105053562	795072558	/nfs/dbraw/zinc/07/25/58/795072558.db2.gz	SPOLGTANPJSQKV-ZTFGCOKTSA-N	1	0	370.497	1.524	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)NCc2ccco2)C[C@H]1C	ZINC001105059210	795092606	/nfs/dbraw/zinc/09/26/06/795092606.db2.gz	PTUWECJDENDOCY-HZPDHXFCSA-N	1	0	362.474	1.729	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCC)C1	ZINC001105064432	795111255	/nfs/dbraw/zinc/11/12/55/795111255.db2.gz	OMBWCMCISRQBGU-HZPDHXFCSA-N	1	0	368.522	1.361	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCCC2)C1	ZINC001105090016	795233008	/nfs/dbraw/zinc/23/30/08/795233008.db2.gz	FPAXMOOABHFZSK-BRWVUGGUSA-N	1	0	351.491	1.274	20	30		FDEDRO
C[C@H]([NH3+])C1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000418014077	795462279	/nfs/dbraw/zinc/46/22/79/795462279.db2.gz	UDHASAZJMKNFOG-KSSFIOAISA-N	1	0	369.469	1.822	20	30		FDEDRO
C#CCNC(=O)c1ccc(N2CCC(N3CC[NH+](CCC)CC3)CC2)nc1	ZINC000364232164	795504446	/nfs/dbraw/zinc/50/44/46/795504446.db2.gz	VYIMYHYMFSKMRF-UHFFFAOYSA-N	1	0	369.513	1.441	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCC[C@H]3CCC[NH2+]3)C2=O)cc1	ZINC000418075544	795509888	/nfs/dbraw/zinc/50/98/88/795509888.db2.gz	HESGACSLAQQONH-QZTJIDSGSA-N	1	0	369.469	1.491	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCCCC)C1	ZINC001112088496	795509987	/nfs/dbraw/zinc/50/99/87/795509987.db2.gz	JLEXVFQMNHXWAD-ZIAGYGMSSA-N	1	0	361.408	1.685	20	30		FDEDRO
CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000418075954	795511463	/nfs/dbraw/zinc/51/14/63/795511463.db2.gz	HUPRDSYXRYOBGT-ZWKOTPCHSA-N	1	0	371.485	1.674	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC1CCC([NH2+]Cc2ccccc2C#N)CC1	ZINC001026560515	795545202	/nfs/dbraw/zinc/54/52/02/795545202.db2.gz	STPBULJMUMSESB-WZOJCFFYSA-N	1	0	368.481	1.800	20	30		FDEDRO
C=CCOCCCNC(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1	ZINC000660350225	795571778	/nfs/dbraw/zinc/57/17/78/795571778.db2.gz	KIGXTFGZUDADBB-UHFFFAOYSA-N	1	0	361.490	1.615	20	30		FDEDRO
COc1cc(CNC(=O)NCCC[NH2+]Cc2cccnc2)ccc1C#N	ZINC000418201786	795622800	/nfs/dbraw/zinc/62/28/00/795622800.db2.gz	SKRNBJCVBNPIGM-UHFFFAOYSA-N	1	0	353.426	1.941	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NCCC[NH2+]C2CC2)C[C@]12C(=O)Nc1ccccc12	ZINC000418293616	795707986	/nfs/dbraw/zinc/70/79/86/795707986.db2.gz	BNWWJIYEQNNNIG-YJYMSZOUSA-N	1	0	353.426	1.184	20	30		FDEDRO
N#C[C@H]1CN(C(=O)NCCC[NH2+]C2CC2)C[C@]12C(=O)Nc1ccccc12	ZINC000418293612	795708488	/nfs/dbraw/zinc/70/84/88/795708488.db2.gz	BNWWJIYEQNNNIG-DJJJIMSYSA-N	1	0	353.426	1.184	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1C(F)(F)F	ZINC001112092612	795730802	/nfs/dbraw/zinc/73/08/02/795730802.db2.gz	GWJZUSXBWQAAGR-UPJWGTAASA-N	1	0	363.380	1.820	20	30		FDEDRO
N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)N[C@H]1CCC[NH2+]C1	ZINC000418385565	795850037	/nfs/dbraw/zinc/85/00/37/795850037.db2.gz	QFNKCFIIGFEDET-AWEZNQCLSA-N	1	0	367.457	1.310	20	30		FDEDRO
CC(C)[C@@H]([NH3+])CNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000418406576	795874813	/nfs/dbraw/zinc/87/48/13/795874813.db2.gz	LZKDTMBLJUXVOP-ZDUSSCGKSA-N	1	0	372.429	1.621	20	30		FDEDRO
N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NC[C@@H]([NH3+])C2CC2)CC1	ZINC000418503107	796021521	/nfs/dbraw/zinc/02/15/21/796021521.db2.gz	WVZFLVXFIXLYSG-CYBMUJFWSA-N	1	0	370.413	1.375	20	30		FDEDRO
C[C@H](C[NH3+])NC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N	ZINC000418517337	796054279	/nfs/dbraw/zinc/05/42/79/796054279.db2.gz	VGNIQLGGEYNEIY-LLVKDONJSA-N	1	0	359.409	1.044	20	30		FDEDRO
C=C(C)Cn1c(-c2ncon2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000909332431	796111543	/nfs/dbraw/zinc/11/15/43/796111543.db2.gz	UZWOMQGZVAHPKZ-CQSZACIVSA-N	1	0	359.434	1.205	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC000979874490	806574289	/nfs/dbraw/zinc/57/42/89/806574289.db2.gz	PHMNUJAKDPPYMY-DTTOXWODSA-N	1	0	354.454	1.028	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)CC4(C)CC4)[C@@H]3C2)CC1	ZINC000974560231	799780242	/nfs/dbraw/zinc/78/02/42/799780242.db2.gz	WORLBKADTBNLKS-QZTJIDSGSA-N	1	0	357.498	1.581	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC2CCC(NC(=O)c3ccc(C#N)[nH]3)CC2)CC[N@@H+]1C	ZINC000980125753	806778603	/nfs/dbraw/zinc/77/86/03/806778603.db2.gz	CQQXWLXYTBPFOE-TXVKYFBMSA-N	1	0	371.485	1.774	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCS(C)(=O)=O)C2)CC1	ZINC001112523192	799831534	/nfs/dbraw/zinc/83/15/34/799831534.db2.gz	HFXIBXFIEPLXTQ-HKUYNNGSSA-N	1	0	368.543	1.996	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nc(C3CC3)no2)C1	ZINC001026850338	799991930	/nfs/dbraw/zinc/99/19/30/799991930.db2.gz	SJAAKINMZLXRBV-BMFZPTHFSA-N	1	0	360.458	1.866	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(OC)nn2)C1	ZINC001026850098	800018774	/nfs/dbraw/zinc/01/87/74/800018774.db2.gz	NHIADTBDZQWONY-UAGQMJEPSA-N	1	0	360.458	1.405	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@H](C4CC4)[NH+](C)C)C[C@H]32)cc1	ZINC000974705996	800160584	/nfs/dbraw/zinc/16/05/84/800160584.db2.gz	LWZPXZHUTUXAOD-AQNXPRMDSA-N	1	0	365.477	1.681	20	30		FDEDRO
C=C(C)Cn1c(-c2ccc(=O)n(C)c2)nnc1N1CC[NH+](C2CCC2)CC1	ZINC000909340678	800179895	/nfs/dbraw/zinc/17/98/95/800179895.db2.gz	UONUFZPLWRGKLB-UHFFFAOYSA-N	1	0	368.485	1.894	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2c(C)nnn2CC)CC1(C)C	ZINC000975063242	800810458	/nfs/dbraw/zinc/81/04/58/800810458.db2.gz	JCRZGXJENLFQAP-HYVNUMGLSA-N	1	0	361.490	1.524	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2noc3c2COCC3)C1	ZINC001027076747	800892662	/nfs/dbraw/zinc/89/26/62/800892662.db2.gz	STLHZJZJEDOMCH-CPUCHLNUSA-N	1	0	361.442	1.277	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21	ZINC000975214963	801011209	/nfs/dbraw/zinc/01/12/09/801011209.db2.gz	VHYAPJGJJMUONS-JJRVBVJISA-N	1	0	355.442	1.044	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2c(C)nnn2CC)C1	ZINC001027116929	801013117	/nfs/dbraw/zinc/01/31/17/801013117.db2.gz	LHNBHLWEJCVYRW-BQFCYCMXSA-N	1	0	361.490	1.526	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(C(N)=O)cc2)C1	ZINC001027117046	801014118	/nfs/dbraw/zinc/01/41/18/801014118.db2.gz	OGZBGBDAKWEFNZ-NEWSRXKRSA-N	1	0	371.481	1.705	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ncnn2CCC)C1	ZINC001027117259	801015396	/nfs/dbraw/zinc/01/53/96/801015396.db2.gz	UKKMOEJQCNXCOB-BQFCYCMXSA-N	1	0	361.490	1.607	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)C4CCCC4)C[C@@H]32)CC1	ZINC000975445900	801331304	/nfs/dbraw/zinc/33/13/04/801331304.db2.gz	RLJJNJMLUCRQHP-PXNSSMCTSA-N	1	0	371.525	1.971	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)C4CC=CC4)C[C@@H]32)CC1	ZINC000975633174	801761533	/nfs/dbraw/zinc/76/15/33/801761533.db2.gz	XJNWCAZKFZSTTN-PXNSSMCTSA-N	1	0	369.509	1.747	20	30		FDEDRO
Cc1nccn1CC(=O)N1CC[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@H]2C1	ZINC000975719290	802124163	/nfs/dbraw/zinc/12/41/63/802124163.db2.gz	LLNCJIBXFSCTJF-RDJZCZTQSA-N	1	0	366.425	1.155	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)C(F)F)[C@H]3C2)CC1	ZINC000975755285	802270768	/nfs/dbraw/zinc/27/07/68/802270768.db2.gz	UTNSLYVBZZTTJL-ZFWWWQNUSA-N	1	0	353.413	1.046	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(CC[NH2+][C@@H]2CCN(C)C2=O)cc1	ZINC001027254961	802640739	/nfs/dbraw/zinc/64/07/39/802640739.db2.gz	VNCTWFRMXWDQAK-QRVBRYPASA-N	1	0	371.481	1.257	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@H]2C1	ZINC000975961330	802750468	/nfs/dbraw/zinc/75/04/68/802750468.db2.gz	FCSNBQXWWXMBIR-KEYYUXOJSA-N	1	0	351.410	1.557	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@H]2C1	ZINC000975972963	802763041	/nfs/dbraw/zinc/76/30/41/802763041.db2.gz	JHYNVWZQUFTESQ-KEYYUXOJSA-N	1	0	351.410	1.557	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)[C@@H](C)C#N)[C@H]3C2)CC1	ZINC000975979457	802773517	/nfs/dbraw/zinc/77/35/17/802773517.db2.gz	AFXSBVLMIPEVEJ-BQFCYCMXSA-N	1	0	360.502	1.716	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)CCC[NH2+]1	ZINC000662722841	802903202	/nfs/dbraw/zinc/90/32/02/802903202.db2.gz	SLCSFRVFJXYKLZ-HXUWFJFHSA-N	1	0	362.518	1.087	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@](CO)(OC)C2)c(OC)c1	ZINC000661398951	803476992	/nfs/dbraw/zinc/47/69/92/803476992.db2.gz	XDPMCXUCPSKFPG-FXAWDEMLSA-N	1	0	365.470	1.637	20	30		FDEDRO
C=CC[C@]1(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)CCC[NH2+]1	ZINC000662819556	803480159	/nfs/dbraw/zinc/48/01/59/803480159.db2.gz	HNDVIJRFGFRTTG-CXAGYDPISA-N	1	0	350.440	1.036	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(C#N)c2)C1	ZINC000976556465	803521276	/nfs/dbraw/zinc/52/12/76/803521276.db2.gz	XBOXDEQFAWBOQR-IAGOWNOFSA-N	1	0	371.485	1.775	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC(N)=O)C2)CCC1	ZINC001112525545	803595085	/nfs/dbraw/zinc/59/50/85/803595085.db2.gz	YMORJHRFLICJJM-LIRRHRJNSA-N	1	0	362.474	1.146	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CCC[NH2+]1	ZINC000662850904	803700793	/nfs/dbraw/zinc/70/07/93/803700793.db2.gz	SMGIHTADSGCIOZ-FVJLSDCUSA-N	1	0	367.449	1.328	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1	ZINC000423120066	814965078	/nfs/dbraw/zinc/96/50/78/814965078.db2.gz	GBVFVFWQKLRUCC-YJBOKZPZSA-N	1	0	356.470	1.883	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1	ZINC000423219330	815007025	/nfs/dbraw/zinc/00/70/25/815007025.db2.gz	WDQHVXDDMPLGBW-BHYGNILZSA-N	1	0	372.425	1.305	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2CCC)CC1	ZINC000977147855	804448106	/nfs/dbraw/zinc/44/81/06/804448106.db2.gz	UGAGTMUFLMGJFS-QQXKLLMISA-N	1	0	357.498	1.341	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C1	ZINC000662958366	804705760	/nfs/dbraw/zinc/70/57/60/804705760.db2.gz	BWKBQLDJIAQCAX-UWWQBHOKSA-N	1	0	359.445	1.894	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)C1	ZINC000662962842	804722118	/nfs/dbraw/zinc/72/21/18/804722118.db2.gz	NJVKXOOHNOMVBP-KBAYOESNSA-N	1	0	363.502	1.546	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@@H](Cc2nc(C)no2)c2ccccc2)CC1	ZINC000759927088	804763901	/nfs/dbraw/zinc/76/39/01/804763901.db2.gz	DHOGNJOPSGZOGQ-SFHVURJKSA-N	1	0	367.453	1.029	20	30		FDEDRO
C=CC[N@@H+](CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C)C(C)(C)C	ZINC000661759183	804822596	/nfs/dbraw/zinc/82/25/96/804822596.db2.gz	CPAWUOKPDOQWEO-CYBMUJFWSA-N	1	0	365.499	1.898	20	30		FDEDRO
C=CC[N@@H+](CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)C(C)(C)C	ZINC000661759750	804822866	/nfs/dbraw/zinc/82/28/66/804822866.db2.gz	KFCLSSJWBAJUSO-UHFFFAOYSA-N	1	0	371.489	1.298	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CCN2C(=O)C[C@@H]2C[C@H]2C2CC2)CC1	ZINC000977854968	805004144	/nfs/dbraw/zinc/00/41/44/805004144.db2.gz	OMPKHGCGKXZLTM-ZCNNSNEGSA-N	1	0	371.525	1.827	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CCN2C(=O)[C@]23C[C@H]2CCC3)CC1	ZINC000977856626	805005455	/nfs/dbraw/zinc/00/54/55/805005455.db2.gz	XVZGABFFSWJPTO-DBXWQHBBSA-N	1	0	357.498	1.581	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O	ZINC000504074152	815052214	/nfs/dbraw/zinc/05/22/14/815052214.db2.gz	HSQMDJSTVGKWQE-KRWDZBQOSA-N	1	0	372.469	1.200	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CCn2nc(C)nc2C)C1	ZINC001027585980	805177054	/nfs/dbraw/zinc/17/70/54/805177054.db2.gz	UHNUUPJFXBNSEL-KSZLIROESA-N	1	0	361.490	1.409	20	30		FDEDRO
O=C(NC[C@@H]1[C@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21)[C@]12C[C@H]1COC2	ZINC000978163321	805228323	/nfs/dbraw/zinc/22/83/23/805228323.db2.gz	DEGGTPYNZTUBGH-RFCWIEKVSA-N	1	0	354.425	1.508	20	30		FDEDRO
C[C@H]1C[C@H](CCNC(=O)NCC(=O)NCC#N)C[N@@H+]1Cc1ccccc1	ZINC000511907108	805289816	/nfs/dbraw/zinc/28/98/16/805289816.db2.gz	RNZFQJGQLRLINK-RDJZCZTQSA-N	1	0	357.458	1.226	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@H]4c4c[nH]cn4)[C@@H]3C2)c1	ZINC000978295536	805346233	/nfs/dbraw/zinc/34/62/33/805346233.db2.gz	SIHGYYBZSCTIBK-NNIGNNQHSA-N	1	0	361.449	1.879	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCc2ccnn2C)C1	ZINC001027612534	805366358	/nfs/dbraw/zinc/36/63/58/805366358.db2.gz	KABUHEJJZAEYIG-QYZOEREBSA-N	1	0	360.502	1.867	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)C12CCC[NH+]1CCC2	ZINC000978421856	805452029	/nfs/dbraw/zinc/45/20/29/805452029.db2.gz	PWFGEVXRYQSSNF-BBWFWOEESA-N	1	0	361.486	1.265	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1	ZINC001087431870	807202575	/nfs/dbraw/zinc/20/25/75/807202575.db2.gz	MWZCLWDQVJTXJZ-GUDVDZBRSA-N	1	0	370.497	1.937	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccc(=O)n(C)c2)C1	ZINC001087432085	807212841	/nfs/dbraw/zinc/21/28/41/807212841.db2.gz	YBOPCKWSWKOROI-WOJBJXKFSA-N	1	0	363.461	1.997	20	30		FDEDRO
C#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2cc(C)nn2C)C1	ZINC001087432237	807282020	/nfs/dbraw/zinc/28/20/20/807282020.db2.gz	DMQDTEWQXANUNT-WOJBJXKFSA-N	1	0	350.466	1.879	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(CF)CCC1)C2	ZINC001112532689	807478159	/nfs/dbraw/zinc/47/81/59/807478159.db2.gz	QNQAYVJJFUMVIL-GUXCAODWSA-N	1	0	363.477	1.482	20	30		FDEDRO
C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1	ZINC000423548155	815127688	/nfs/dbraw/zinc/12/76/88/815127688.db2.gz	CAQYWHFPHHDGDC-KDOFPFPSSA-N	1	0	352.438	1.370	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)C2CC2)cc1	ZINC000423569511	815139495	/nfs/dbraw/zinc/13/94/95/815139495.db2.gz	MTMZQBSIRNZKBK-UHFFFAOYSA-N	1	0	366.465	1.651	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000981463072	808062781	/nfs/dbraw/zinc/06/27/81/808062781.db2.gz	LPXSIZURYSXWRO-IARIHHJXSA-N	1	0	357.458	1.241	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3ccon3)C2)CC1	ZINC000981544945	808116085	/nfs/dbraw/zinc/11/60/85/808116085.db2.gz	XXTULWMHWAOKLL-GOEBONIOSA-N	1	0	358.442	1.035	20	30		FDEDRO
C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N(C)CCOCc2ccc(C#N)cc2)CC1	ZINC000423658617	815187538	/nfs/dbraw/zinc/18/75/38/815187538.db2.gz	DFXVIFUCRYCLFJ-OAHLLOKOSA-N	1	0	372.469	1.119	20	30		FDEDRO
C[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)CC1	ZINC000981649708	808274377	/nfs/dbraw/zinc/27/43/77/808274377.db2.gz	MCUHMVRSAYYSNY-XJKSGUPXSA-N	1	0	357.458	1.243	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@@](CO)(OC)C1)C(C)C	ZINC000663667375	808388604	/nfs/dbraw/zinc/38/86/04/808388604.db2.gz	GMWAHTXIRMPWNL-PKOBYXMFSA-N	1	0	353.507	1.868	20	30		FDEDRO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](CC#Cc1ccccc1)C2	ZINC000981764908	808450925	/nfs/dbraw/zinc/45/09/25/808450925.db2.gz	JSMLNUSXWBJNFY-QZTJIDSGSA-N	1	0	353.422	1.628	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)C3CC[NH+](C4CC4)CC3)C2=O)cc1	ZINC000279181078	808568465	/nfs/dbraw/zinc/56/84/65/808568465.db2.gz	FEUGILXVLMSRQA-IBGZPJMESA-N	1	0	366.465	1.650	20	30		FDEDRO
C[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)[C@@H]1C[NH3+]	ZINC000423733821	815228377	/nfs/dbraw/zinc/22/83/77/815228377.db2.gz	OFOYEOHUPFWZLU-NRSFXHEJSA-N	1	0	354.454	1.338	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1ccco1)C2	ZINC001112533474	808709151	/nfs/dbraw/zinc/70/91/51/808709151.db2.gz	LRVWYVOAGHFARH-WCLQXYBISA-N	1	0	369.465	1.351	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1C	ZINC000504403043	815235195	/nfs/dbraw/zinc/23/51/95/815235195.db2.gz	HFYYULHPOWZBNI-QGPMSJSTSA-N	1	0	369.469	1.836	20	30		FDEDRO
C=CCNC(=O)CN1CCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1	ZINC000418685719	809129770	/nfs/dbraw/zinc/12/97/70/809129770.db2.gz	ZOVQIEHRMANSEL-GOSISDBHSA-N	1	0	373.501	1.096	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1c1ccccc1	ZINC001211718517	809220334	/nfs/dbraw/zinc/22/03/34/809220334.db2.gz	REORUFKLUVCHLA-PKOBYXMFSA-N	1	0	366.465	1.944	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)Cc4ccon4)[C@@H]3C2)cc1	ZINC001075624341	809314926	/nfs/dbraw/zinc/31/49/26/809314926.db2.gz	DXQJCLUVWDVWRR-QFBILLFUSA-N	1	0	366.421	1.852	20	30		FDEDRO
C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCCSCc2ccccc2C#N)C1	ZINC000418928207	809321563	/nfs/dbraw/zinc/32/15/63/809321563.db2.gz	UNVPWBMPDFSACY-HNNXBMFYSA-N	1	0	374.510	1.366	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](NC(C)=O)C2CCCC2)[C@H](OC)C1	ZINC001213145768	809332162	/nfs/dbraw/zinc/33/21/62/809332162.db2.gz	YUZNBAFBOGFRAA-KZNAEPCWSA-N	1	0	351.491	1.463	20	30		FDEDRO
CCC1(CNC(=[NH+]C)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)CCCC1	ZINC000261663143	809336588	/nfs/dbraw/zinc/33/65/88/809336588.db2.gz	BDCMQJDXCXVFFJ-GOSISDBHSA-N	1	0	363.506	1.842	20	30		FDEDRO
COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)NCC(C)(C)CC#N)cc1	ZINC000418975405	809357009	/nfs/dbraw/zinc/35/70/09/809357009.db2.gz	SRJZZJOKKVVGLI-SJORKVTESA-N	1	0	372.469	1.313	20	30		FDEDRO
C=CC[C@H](CC)NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1	ZINC000419130521	809592231	/nfs/dbraw/zinc/59/22/31/809592231.db2.gz	CHYXNQPIYFWDLG-JQHSSLGASA-N	1	0	359.470	1.728	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1	ZINC001087442954	809768475	/nfs/dbraw/zinc/76/84/75/809768475.db2.gz	LLCJGLDIKQAEGL-IEBWSBKVSA-N	1	0	366.465	1.944	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNC(=O)NCC#C[C@@H]2CCCCO2)ccn1	ZINC000893915279	809807022	/nfs/dbraw/zinc/80/70/22/809807022.db2.gz	WYJORLROTDINDW-KRWDZBQOSA-N	1	0	360.458	1.394	20	30		FDEDRO
COc1cc(OC)cc(N2CC[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)C2)c1	ZINC000424159246	815320678	/nfs/dbraw/zinc/32/06/78/815320678.db2.gz	VGONRXZVHSLICR-KBXCAEBGSA-N	1	0	360.458	1.667	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H](C)C(=O)NC)C1	ZINC001211736198	809925683	/nfs/dbraw/zinc/92/56/83/809925683.db2.gz	LYJBONRTMBQEHP-BPQIPLTHSA-N	1	0	359.470	1.298	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000894098581	809941560	/nfs/dbraw/zinc/94/15/60/809941560.db2.gz	IYSPKWYPOIQGLA-MAUKXSAKSA-N	1	0	369.469	1.837	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)C[C@H]1c1ccccc1	ZINC001211743821	809956413	/nfs/dbraw/zinc/95/64/13/809956413.db2.gz	MKAXBVFAVXWMDG-FGTMMUONSA-N	1	0	369.465	1.590	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CC[C@]2(C)CCC(=O)N2)C[C@H]1c1ccccc1	ZINC001211746079	809982945	/nfs/dbraw/zinc/98/29/45/809982945.db2.gz	PZMLKBFMYABARM-UEXGIBASSA-N	1	0	353.466	1.653	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cnnn2C)C1	ZINC001087454674	810049946	/nfs/dbraw/zinc/04/99/46/810049946.db2.gz	CMSSGPSZAHNAEW-IAGOWNOFSA-N	1	0	355.417	1.565	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CC#N)CC[C@@H]2c2cccc(F)c2)CC[N@@H+]1C	ZINC001087455882	810070960	/nfs/dbraw/zinc/07/09/60/810070960.db2.gz	SNMZUODYXXCVGG-UTRMSSBJSA-N	1	0	358.461	1.964	20	30		FDEDRO
N#Cc1ccc(C(F)(F)F)nc1N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1	ZINC000894110267	810078322	/nfs/dbraw/zinc/07/83/22/810078322.db2.gz	CWECCRYQHDJPGI-CYBMUJFWSA-N	1	0	367.375	1.763	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccncc4F)[C@@H]3C2)C1=O	ZINC001075641610	810137689	/nfs/dbraw/zinc/13/76/89/810137689.db2.gz	PBIJMGVXADBBFE-IAOVAPTHSA-N	1	0	358.417	1.154	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)NC1CCN(C(=O)C2CC2)CC1	ZINC000261712445	810173259	/nfs/dbraw/zinc/17/32/59/810173259.db2.gz	KCJJDAOLKRXUQW-KSZLIROESA-N	1	0	374.529	1.900	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C	ZINC000509786236	810179464	/nfs/dbraw/zinc/17/94/64/810179464.db2.gz	AOLJZUZHVXPSLM-XJKSGUPXSA-N	1	0	356.426	1.591	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H]1CCOC[C@H]1C	ZINC000433138131	810205879	/nfs/dbraw/zinc/20/58/79/810205879.db2.gz	QYNGIZXWQCDVJR-CXAGYDPISA-N	1	0	362.474	1.966	20	30		FDEDRO
C=C(C)Cn1c(-c2cn(C)nn2)nnc1N(C)C1CC[NH+](CCC)CC1	ZINC000669333753	810300438	/nfs/dbraw/zinc/30/04/38/810300438.db2.gz	VIGWKSLWPPKVPN-UHFFFAOYSA-N	1	0	358.494	1.960	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)cc1	ZINC000419290849	810336257	/nfs/dbraw/zinc/33/62/57/810336257.db2.gz	RKRDBBPLMQLWFR-MSOLQXFVSA-N	1	0	354.454	1.555	20	30		FDEDRO
N#CCCNC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000426420774	810487669	/nfs/dbraw/zinc/48/76/69/810487669.db2.gz	OZTIOJCTAZOFCM-KRWDZBQOSA-N	1	0	356.474	1.539	20	30		FDEDRO
N#CCCNC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000426420775	810488621	/nfs/dbraw/zinc/48/86/21/810488621.db2.gz	OZTIOJCTAZOFCM-QGZVFWFLSA-N	1	0	356.474	1.539	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCCc2nc(C)no2)C1	ZINC001028548877	810616707	/nfs/dbraw/zinc/61/67/07/810616707.db2.gz	JNUUWDVHVOWKRY-BBWFWOEESA-N	1	0	362.474	1.730	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000982665169	810705248	/nfs/dbraw/zinc/70/52/48/810705248.db2.gz	NFTUWAJFMSAAOH-RRQGHBQHSA-N	1	0	357.458	1.195	20	30		FDEDRO
NC(=O)c1cnn2c1C[C@H](CNC(=[NH2+])Nc1ccc3c(c1)CCC3)CC2	ZINC000261950270	811351592	/nfs/dbraw/zinc/35/15/92/811351592.db2.gz	PKDPVWOKYUOVOC-GFCCVEGCSA-N	1	0	352.442	1.460	20	30		FDEDRO
Cc1nnc(CNC(N[C@H]2CCc3ncnn3C2)=[NH+]C2CCCCC2)n1C	ZINC000261968771	811356847	/nfs/dbraw/zinc/35/68/47/811356847.db2.gz	MDJAFUOBYLLRCD-HNNXBMFYSA-N	1	0	371.493	1.098	20	30		FDEDRO
CC1CCC2(CC1)OC[C@@H](CNC(=[NH2+])N1CCN(c3ncccn3)CC1)O2	ZINC000262230777	811418878	/nfs/dbraw/zinc/41/88/78/811418878.db2.gz	WRZVMDCMNCUHPT-KOHRHEQBSA-N	1	0	374.489	1.235	20	30		FDEDRO
C[C@@H]1CCCC[C@H]1[NH+]=C(NCC(=O)N(C)C)N1CC[C@H](c2cnn(C)c2)C1	ZINC000262248178	811423104	/nfs/dbraw/zinc/42/31/04/811423104.db2.gz	BHODRRKSKUWOAK-SOLBZPMBSA-N	1	0	374.533	1.822	20	30		FDEDRO
CN(C)C(=O)C[NH+]=C(NCc1ccn(C)c1)N[C@@H]1CCOc2ccccc21	ZINC000262248205	811423252	/nfs/dbraw/zinc/42/32/52/811423252.db2.gz	BJGGARJQDCQBJB-QGZVFWFLSA-N	1	0	369.469	1.672	20	30		FDEDRO
COC(=O)CN(CC#N)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F	ZINC000513380523	811435101	/nfs/dbraw/zinc/43/51/01/811435101.db2.gz	IYVSFYGDFONQBK-OAHLLOKOSA-N	1	0	365.380	1.669	20	30		FDEDRO
[NH2+]=C(NCc1c(F)cc(F)c(F)c1F)N1CCN(c2ncccn2)CC1	ZINC000262401340	811459262	/nfs/dbraw/zinc/45/92/62/811459262.db2.gz	HMDTVIDHRZJYPN-UHFFFAOYSA-N	1	0	368.338	1.670	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N1CCN(C(=O)c2ccco2)CC1	ZINC000262406312	811460356	/nfs/dbraw/zinc/46/03/56/811460356.db2.gz	ONWJKBVIJUGGKG-NUEKZKHPSA-N	1	0	360.458	1.426	20	30		FDEDRO
CC[NH+]=C(NCc1nnc2n1CCCCC2)NCc1c(C)nn(C)c1C	ZINC000262694708	811534610	/nfs/dbraw/zinc/53/46/10/811534610.db2.gz	DHBPNDFUVJHLLH-UHFFFAOYSA-N	1	0	358.494	1.610	20	30		FDEDRO
C[NH+]=C(NCc1cc(N(C)C)nc2ccccc12)N[C@H]1CCC(=O)N(C)C1	ZINC000262757168	811546710	/nfs/dbraw/zinc/54/67/10/811546710.db2.gz	DTNGHUUXTDAHRK-HNNXBMFYSA-N	1	0	368.485	1.587	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC001028629295	811665357	/nfs/dbraw/zinc/66/53/57/811665357.db2.gz	ITJREOZNIZZIKS-MCIONIFRSA-N	1	0	350.381	1.737	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@H](C#N)Cc1ccc(C#N)cc1	ZINC000280003624	811695049	/nfs/dbraw/zinc/69/50/49/811695049.db2.gz	LIAPBNZUKDGGRC-LPHOPBHVSA-N	1	0	366.465	1.952	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[N@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000280214047	811742539	/nfs/dbraw/zinc/74/25/39/811742539.db2.gz	KLADSQAWRPWSLS-HNNXBMFYSA-N	1	0	365.433	1.443	20	30		FDEDRO
N#CC1(CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)CCC1	ZINC000419628898	812049999	/nfs/dbraw/zinc/04/99/99/812049999.db2.gz	QLIQQEACKFQMTK-ZWKOTPCHSA-N	1	0	356.470	1.862	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1ccc(F)c(F)c1	ZINC000419673861	812084223	/nfs/dbraw/zinc/08/42/23/812084223.db2.gz	HYXWUCFDJVPNPZ-LPHOPBHVSA-N	1	0	363.408	1.910	20	30		FDEDRO
C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NCCCN1CC[NH2+]CC1	ZINC000419879539	812271867	/nfs/dbraw/zinc/27/18/67/812271867.db2.gz	ZAIJGIOYAUHIEM-UHFFFAOYSA-N	1	0	358.486	1.003	20	30		FDEDRO
CC[N@H+](CCNC(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O)C(C)C	ZINC000514003790	815569121	/nfs/dbraw/zinc/56/91/21/815569121.db2.gz	VEZHFXGTGYHKFA-MGPUTAFESA-N	1	0	369.469	1.772	20	30		FDEDRO
CCCC[N@H+](C)CCNC(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000514026091	815571205	/nfs/dbraw/zinc/57/12/05/815571205.db2.gz	CPRUCGFSITYXIY-YWZLYKJASA-N	1	0	369.469	1.773	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])CC2)cc1	ZINC000420065305	813448569	/nfs/dbraw/zinc/44/85/69/813448569.db2.gz	PMCVEUGVLACBDT-RTBURBONSA-N	1	0	366.465	1.808	20	30		FDEDRO
C=CCCC[C@H]1NC(=O)N(CC2(N3CCOCC3)CC[NH+](C)CC2)C1=O	ZINC000924929613	813938849	/nfs/dbraw/zinc/93/88/49/813938849.db2.gz	ILSKRLFJHANNDC-MRXNPFEDSA-N	1	0	364.490	1.060	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+]C1CCN(OC)CC1	ZINC000421203353	814006534	/nfs/dbraw/zinc/00/65/34/814006534.db2.gz	CXMHLBAFELMXJO-OAHLLOKOSA-N	1	0	360.458	1.946	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)[C@H]2C1	ZINC000502729904	814243714	/nfs/dbraw/zinc/24/37/14/814243714.db2.gz	XHAZYEVCLCBJSW-KHYOSLBOSA-N	1	0	365.474	1.570	20	30		FDEDRO
CCn1nccc1N1CCC[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)C1=O	ZINC000367034138	814261447	/nfs/dbraw/zinc/26/14/47/814261447.db2.gz	VXCNDBSRNQCWBK-INIZCTEOSA-N	1	0	363.425	1.708	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCCCC#N)cc2)CC1	ZINC000273070255	814786943	/nfs/dbraw/zinc/78/69/43/814786943.db2.gz	DLADTXSXGKFCET-UHFFFAOYSA-N	1	0	357.458	1.183	20	30		FDEDRO
COC(=O)COc1ccccc1[C@H](C)[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000273378738	814793629	/nfs/dbraw/zinc/79/36/29/814793629.db2.gz	QVONUSXLPXIGTC-UNQMGURYSA-N	1	0	373.409	1.415	20	30		FDEDRO
N#CCCCNC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000273606300	814797778	/nfs/dbraw/zinc/79/77/78/814797778.db2.gz	SJBVDGKHEWMXDC-GOSISDBHSA-N	1	0	370.501	1.929	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)CC#N)C[N@@H+]1Cc1ccccc1	ZINC000422373121	814813112	/nfs/dbraw/zinc/81/31/12/814813112.db2.gz	CTFNEAWQSJHQPR-NVXWUHKLSA-N	1	0	356.470	1.822	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1	ZINC000503510962	814833190	/nfs/dbraw/zinc/83/31/90/814833190.db2.gz	OEJRMTGGOKGABO-HOTGVXAUSA-N	1	0	372.469	1.918	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)c1	ZINC001028804828	815740002	/nfs/dbraw/zinc/74/00/02/815740002.db2.gz	BFRYYRXMLUYIBQ-KSZLIROESA-N	1	0	354.454	1.398	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]CCCNC(=O)[C@H]1CCCO[C@H]1C(=C)C	ZINC001167956563	815774111	/nfs/dbraw/zinc/77/41/11/815774111.db2.gz	CFZOGDGXQNITBJ-HKUYNNGSSA-N	1	0	365.518	1.878	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCCCCC1	ZINC001167956611	815794750	/nfs/dbraw/zinc/79/47/50/815794750.db2.gz	FEIWYXHYGNIKPD-HKUYNNGSSA-N	1	0	365.518	1.856	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C1(c2cccc(C#N)c2)CC1	ZINC000434996252	815874361	/nfs/dbraw/zinc/87/43/61/815874361.db2.gz	LTUIHGPMIYDHQP-GOSISDBHSA-N	1	0	368.481	1.649	20	30		FDEDRO
C#CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)C1	ZINC001087465966	815878311	/nfs/dbraw/zinc/87/83/11/815878311.db2.gz	RVIOPOGEBNLHKN-BHIYHBOVSA-N	1	0	371.456	1.601	20	30		FDEDRO
N#CCc1ccc(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1	ZINC000514598898	815898142	/nfs/dbraw/zinc/89/81/42/815898142.db2.gz	FTCWBIQRFHINTI-RBUKOAKNSA-N	1	0	356.470	1.930	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)NCCN1CCC([NH+](C)C)CC1	ZINC000505622867	815943565	/nfs/dbraw/zinc/94/35/65/815943565.db2.gz	QEVWNPUHHNFMRV-UHFFFAOYSA-N	1	0	372.513	1.886	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N2CCC(CC[NH3+])CC2)c1	ZINC000514730551	815956279	/nfs/dbraw/zinc/95/62/79/815956279.db2.gz	PPVQUKBRRMPDIX-UHFFFAOYSA-N	1	0	358.442	1.895	20	30		FDEDRO
CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)C1	ZINC000425390248	816079958	/nfs/dbraw/zinc/07/99/58/816079958.db2.gz	VWQMBQQCVQRLHH-RDJZCZTQSA-N	1	0	356.470	1.878	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1C#N	ZINC000435833008	816197133	/nfs/dbraw/zinc/19/71/33/816197133.db2.gz	DBDKJHWKTPJYBI-HNNXBMFYSA-N	1	0	356.426	1.637	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCN2CCCC2=O)C1	ZINC001028856907	816249371	/nfs/dbraw/zinc/24/93/71/816249371.db2.gz	QZUMUHWTAXZREW-LNLFQRSKSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@@H](NC(=O)c2ccc[nH]2)[C@H](OC)C1	ZINC001211842426	816445021	/nfs/dbraw/zinc/44/50/21/816445021.db2.gz	UKBLHLGHFSALMJ-USXIJHARSA-N	1	0	362.474	1.257	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(CC)nnc2C)C[C@H]1C(F)(F)F	ZINC001112137216	816478953	/nfs/dbraw/zinc/47/89/53/816478953.db2.gz	YNHFKXJLGLSXQN-HUUCEWRRSA-N	1	0	354.376	1.963	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@H+](C)CCCN1C(=O)c2ccccc2C1=O	ZINC000425550783	816519581	/nfs/dbraw/zinc/51/95/81/816519581.db2.gz	WVOUGAIKPFTHHX-UHFFFAOYSA-N	1	0	355.438	1.805	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)n(CCC#N)n1	ZINC000516315211	816760727	/nfs/dbraw/zinc/76/07/27/816760727.db2.gz	JNRTYPJQQZUXDU-HNNXBMFYSA-N	1	0	360.462	1.280	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1	ZINC000288917208	816940623	/nfs/dbraw/zinc/94/06/23/816940623.db2.gz	USRQXWQBJHODHS-HXUWFJFHSA-N	1	0	372.444	1.709	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)CNc1cccc(N2CC[NH+](CC3CC3)CC2)c1	ZINC000516762942	816995698	/nfs/dbraw/zinc/99/56/98/816995698.db2.gz	ZONCTFOARJWYHN-NRFANRHFSA-N	1	0	371.529	1.837	20	30		FDEDRO
COC(=O)c1ccc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c(C#N)n1	ZINC000516784612	817010116	/nfs/dbraw/zinc/01/01/16/817010116.db2.gz	OWMJTHUVTBFJJY-HZPDHXFCSA-N	1	0	371.485	1.735	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCC[NH+]1CCC(C)CC1	ZINC000425874545	817289240	/nfs/dbraw/zinc/28/92/40/817289240.db2.gz	RNHHWIWOOHNVOG-MRXNPFEDSA-N	1	0	356.470	1.926	20	30		FDEDRO
CC1=CC[N@H+](CCNC(=O)C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)CC1	ZINC000425882612	817300280	/nfs/dbraw/zinc/30/02/80/817300280.db2.gz	INRNZWVFPRGSAY-INIZCTEOSA-N	1	0	354.454	1.846	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCN(C)C2=O)C1	ZINC001087466770	817377209	/nfs/dbraw/zinc/37/72/09/817377209.db2.gz	KIDUGFYWDMSTIP-CEXWTWQISA-N	1	0	371.456	1.601	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2ccccc2C(N)=O)C[C@H]1C(F)(F)F	ZINC001112141019	817528186	/nfs/dbraw/zinc/52/81/86/817528186.db2.gz	DOXQAOROCDAAMX-HUUCEWRRSA-N	1	0	369.387	1.883	20	30		FDEDRO
C[NH+]=C(NC[C@H](O)c1cc(OC)cc(OC)c1)N1CC[C@]2(CCOC2)C1	ZINC000261954625	817622393	/nfs/dbraw/zinc/62/23/93/817622393.db2.gz	ILHWFKJSGWEHHJ-HKUYNNGSSA-N	1	0	363.458	1.425	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4c(C)coc4C)[C@@H]3C2)C1=O	ZINC001075753197	817665898	/nfs/dbraw/zinc/66/58/98/817665898.db2.gz	GXVWLPZYEKEXFA-GVDBMIGSSA-N	1	0	357.454	1.830	20	30		FDEDRO
C[NH+]=C(NC[C@H](c1cccc(OC)c1)N(C)C)N1CC[C@]2(CCOC2)C1	ZINC000261984684	817910270	/nfs/dbraw/zinc/91/02/70/817910270.db2.gz	PRYKEOVVRCWWHA-QUCCMNQESA-N	1	0	360.502	1.986	20	30		FDEDRO
C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000894422294	818048040	/nfs/dbraw/zinc/04/80/40/818048040.db2.gz	IVGYAAREMJGJJY-KSZLIROESA-N	1	0	367.453	1.005	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)Cc2nc[nH]n2)C1	ZINC001087476511	818377882	/nfs/dbraw/zinc/37/78/82/818377882.db2.gz	QWCSURWSSUMTNT-ROUUACIJSA-N	1	0	369.469	1.906	20	30		FDEDRO
N#CCNC(=O)CNC(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1	ZINC000894817279	818489131	/nfs/dbraw/zinc/48/91/31/818489131.db2.gz	OQSNEFBPBBDLCC-UHFFFAOYSA-N	1	0	369.469	1.423	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@]34C[C@H]3COC4)C2)cc1C#N	ZINC000983714997	818662751	/nfs/dbraw/zinc/66/27/51/818662751.db2.gz	CBALQJAMOPJTIO-VERUCKTNSA-N	1	0	355.438	1.588	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1	ZINC000507278710	818708064	/nfs/dbraw/zinc/70/80/64/818708064.db2.gz	IYYVJRKTCDCYMM-GOSISDBHSA-N	1	0	367.490	1.600	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]C[C@@H]1CCNC(=O)CC1	ZINC001167985466	818750883	/nfs/dbraw/zinc/75/08/83/818750883.db2.gz	ICSXRDYZXDWEQZ-BQFCYCMXSA-N	1	0	351.491	1.370	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@H](C)[NH2+]Cc2cn(C)nn2)CC1	ZINC001029157188	818954380	/nfs/dbraw/zinc/95/43/80/818954380.db2.gz	YGLFJXBKRQPVHQ-WBAXXEDZSA-N	1	0	361.490	1.513	20	30		FDEDRO
CC#CCCNC(=O)C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000440695591	819093994	/nfs/dbraw/zinc/09/39/94/819093994.db2.gz	GMYAFGMASATHDS-UHFFFAOYSA-N	1	0	356.470	1.292	20	30		FDEDRO
CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)C(=O)NC3(C#N)CCCCC3)[C@H]2C1	ZINC000519848329	819096935	/nfs/dbraw/zinc/09/69/35/819096935.db2.gz	MUBJBBISGOKDTB-DKIMLUQUSA-N	1	0	360.502	1.954	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C#CC2CC2)[C@H](CNC(=O)[C@@H]2CCc3nccn3C2)C1	ZINC000983789599	819521665	/nfs/dbraw/zinc/52/16/65/819521665.db2.gz	FNXBBJXJCGGXJT-NXHRZFHOSA-N	1	0	368.481	1.602	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)c3cc(F)cc4n[nH]nc43)CC2)CC1	ZINC000328656793	819524780	/nfs/dbraw/zinc/52/47/80/819524780.db2.gz	OEIMFOOGPLADCN-UHFFFAOYSA-N	1	0	360.437	1.960	20	30		FDEDRO
C[C@H]1CN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC(=O)N1C	ZINC000328706092	819538329	/nfs/dbraw/zinc/53/83/29/819538329.db2.gz	LJBVDTRJFRAJDX-INIZCTEOSA-N	1	0	366.506	1.346	20	30		FDEDRO
Cn1ncnc1[C@H]1COCCN1C(=O)NCC1([NH+](C)C)CCCCCC1	ZINC000328893448	819579591	/nfs/dbraw/zinc/57/95/91/819579591.db2.gz	ULDUVYGZGVEHEQ-OAHLLOKOSA-N	1	0	364.494	1.757	20	30		FDEDRO
CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)C[C@@H]1C	ZINC000328947894	819585963	/nfs/dbraw/zinc/58/59/63/819585963.db2.gz	BPRRADDCICDZCT-SOUVJXGZSA-N	1	0	362.478	1.162	20	30		FDEDRO
CC(C)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1	ZINC000328925089	819595728	/nfs/dbraw/zinc/59/57/28/819595728.db2.gz	DRFUNFJHDMHGTH-KRWDZBQOSA-N	1	0	373.501	1.937	20	30		FDEDRO
COC[C@@H]1C[C@@H](OC)CN1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000328991592	819606997	/nfs/dbraw/zinc/60/69/97/819606997.db2.gz	FPOOXECWOLPHHT-BSDSXHPESA-N	1	0	369.506	1.404	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CC[N@H+](C)C2)c1	ZINC000983809521	819619217	/nfs/dbraw/zinc/61/92/17/819619217.db2.gz	UZFHXKPQFTXXSY-SUMDDJOVSA-N	1	0	368.481	1.372	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2C[N@H+](Cc3cccc4c3OCCO4)C[C@H]21	ZINC001075780627	819626203	/nfs/dbraw/zinc/62/62/03/819626203.db2.gz	RUYBJNXZGUXVAF-FUHWJXTLSA-N	1	0	352.434	1.904	20	30		FDEDRO
CC(C)CNC(=O)N1CCC[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)C1	ZINC000330700851	819636730	/nfs/dbraw/zinc/63/67/30/819636730.db2.gz	GOVNVARKMKKMRC-BRWVUGGUSA-N	1	0	368.522	1.182	20	30		FDEDRO
CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)C1	ZINC000330847788	819648866	/nfs/dbraw/zinc/64/88/66/819648866.db2.gz	MALYSNXCMDVECR-LUKYLMHMSA-N	1	0	368.522	1.371	20	30		FDEDRO
CN1CC[NH+](CC2CCN(C(=O)NCc3ccc(C#N)c(F)c3)CC2)CC1	ZINC000459106343	819980508	/nfs/dbraw/zinc/98/05/08/819980508.db2.gz	CKOAGMOQTAMXII-UHFFFAOYSA-N	1	0	373.476	1.866	20	30		FDEDRO
Cc1cccc(CCC[N@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)c1	ZINC001083414029	820139021	/nfs/dbraw/zinc/13/90/21/820139021.db2.gz	IRGKWKNWXSLKBB-MOPGFXCFSA-N	1	0	352.438	1.603	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc4ncccc4c3)C[C@@H]2O)c[nH]1	ZINC001083414613	820220397	/nfs/dbraw/zinc/22/03/97/820220397.db2.gz	MOFUXZDWINYUBZ-MOPGFXCFSA-N	1	0	361.405	1.410	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000441732309	820428116	/nfs/dbraw/zinc/42/81/16/820428116.db2.gz	SGEYTAQYUOHIEM-QZTJIDSGSA-N	1	0	370.453	1.299	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)CC3CCOCC3)[C@H]2CC)C1=O	ZINC001087526209	820505372	/nfs/dbraw/zinc/50/53/72/820505372.db2.gz	IEHJUIZWURZEOR-RCCFBDPRSA-N	1	0	363.502	1.559	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000984096995	820872054	/nfs/dbraw/zinc/87/20/54/820872054.db2.gz	UKJHNSUEWLSBOD-SOLBZPMBSA-N	1	0	371.485	1.680	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)CN2CCOCC2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087543047	821196699	/nfs/dbraw/zinc/19/66/99/821196699.db2.gz	KHGWTDRXWQUELG-RBUKOAKNSA-N	1	0	356.470	1.360	20	30		FDEDRO
Cc1c(C(=O)N(CCC#N)CCC[NH+](C)C)nnn1Cc1ccncc1	ZINC000508400130	821261210	/nfs/dbraw/zinc/26/12/10/821261210.db2.gz	GZZSILUDBRHNFG-UHFFFAOYSA-N	1	0	355.446	1.337	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@@H]([NH2+][C@@H]2CCCN(O)C2=O)C1	ZINC000895163835	821264562	/nfs/dbraw/zinc/26/45/62/821264562.db2.gz	ZQTRNBHKSLNFBA-JKIFEVAISA-N	1	0	371.437	1.954	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccc(C)nn3)[C@H]2CC)C1=O	ZINC001087569019	821534714	/nfs/dbraw/zinc/53/47/14/821534714.db2.gz	YDUIFXTWPZSNHV-UAGQMJEPSA-N	1	0	357.458	1.155	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)Cc2nnc(C)[nH]2)CC[N@@H+]1CC#Cc1ccc(F)cc1	ZINC001087568105	821544255	/nfs/dbraw/zinc/54/42/55/821544255.db2.gz	YMANNCUGGXBUAF-ZWKOTPCHSA-N	1	0	369.444	1.816	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087576008	821578855	/nfs/dbraw/zinc/57/88/55/821578855.db2.gz	IISYNHOIQKFATK-GSEOLPGOSA-N	1	0	367.493	1.922	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cn[nH]c(=O)c2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087613747	821748149	/nfs/dbraw/zinc/74/81/49/821748149.db2.gz	HQIAODHCVNVKRF-DLBZAZTESA-N	1	0	351.410	1.837	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cnc[nH]c2=O)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087617146	821761827	/nfs/dbraw/zinc/76/18/27/821761827.db2.gz	JTVIAMQSNJDNFL-LSDHHAIUSA-N	1	0	357.439	1.898	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2COCCN2CC)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087632915	821841480	/nfs/dbraw/zinc/84/14/80/821841480.db2.gz	DGWZFHBLSJKTBZ-XUVXKRRUSA-N	1	0	370.497	1.748	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)[C@H]1CC	ZINC001087668065	821968732	/nfs/dbraw/zinc/96/87/32/821968732.db2.gz	AOQVWSPZEADQBF-HCXYKTFWSA-N	1	0	365.518	1.411	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CC[N@@H+]1Cc1cc(C#N)ccc1OC	ZINC001087685709	822033035	/nfs/dbraw/zinc/03/30/35/822033035.db2.gz	XFQMQBFTUPGIEW-YESZJQIVSA-N	1	0	370.453	1.172	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)cn2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087704595	822075973	/nfs/dbraw/zinc/07/59/73/822075973.db2.gz	BBEJVTFKIZJRCP-DOTOQJQBSA-N	1	0	351.410	1.424	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087715087	822174007	/nfs/dbraw/zinc/17/40/07/822174007.db2.gz	RNOKPAUMICFXCY-QKLQHJQFSA-N	1	0	354.454	1.696	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](C[C@@H]3CCNC(=O)CC3)[C@@H]2CC)c1	ZINC001087719050	822186470	/nfs/dbraw/zinc/18/64/70/822186470.db2.gz	XNSAAARUQIBDQI-YTQUADARSA-N	1	0	368.481	1.562	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087759122	822373402	/nfs/dbraw/zinc/37/34/02/822373402.db2.gz	CLKQWMVAFDSMMM-VBNZEHGJSA-N	1	0	360.483	1.758	20	30		FDEDRO
N#C[C@H]1CSCCN1CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O	ZINC000840038587	822409233	/nfs/dbraw/zinc/40/92/33/822409233.db2.gz	BCZOVRCOMGQDNX-YESZJQIVSA-N	1	0	370.478	1.002	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCOC)C1	ZINC001112167757	822446738	/nfs/dbraw/zinc/44/67/38/822446738.db2.gz	CWKJIXBNRQLSLF-SYQHCUMBSA-N	1	0	350.381	1.593	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)[C@@H]2CC)nc1	ZINC001087800307	822459587	/nfs/dbraw/zinc/45/95/87/822459587.db2.gz	LWLZLHKNCDTRBW-PKOBYXMFSA-N	1	0	364.449	1.545	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000937560601	822632239	/nfs/dbraw/zinc/63/22/39/822632239.db2.gz	DUHSBMSHCVYTBJ-FRMKIJSPSA-N	1	0	361.486	1.120	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cccnc4)C[C@@H]3C2)C1=O	ZINC001087867085	822641697	/nfs/dbraw/zinc/64/16/97/822641697.db2.gz	YDIXAELEZCJCSI-SQNIBIBYSA-N	1	0	354.454	1.262	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCO[C@H]1c1ccc(C)cc1	ZINC001168030660	822645326	/nfs/dbraw/zinc/64/53/26/822645326.db2.gz	QTXJSNYMVDZFKD-QUCCMNQESA-N	1	0	371.481	1.308	20	30		FDEDRO
C#CCC1(O)CC[NH+](Cc2ccc(OCC(=O)NCC)c(OC)c2)CC1	ZINC000895675091	822691661	/nfs/dbraw/zinc/69/16/61/822691661.db2.gz	MAGCNQIAMXLQQP-UHFFFAOYSA-N	1	0	360.454	1.560	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccoc4C)C[C@@H]3C2)C1=O	ZINC001087878824	822696334	/nfs/dbraw/zinc/69/63/34/822696334.db2.gz	PSSPXXGMCVTCAL-SOLBZPMBSA-N	1	0	357.454	1.769	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000895690488	822699710	/nfs/dbraw/zinc/69/97/10/822699710.db2.gz	HHRGAXMVGPKBHS-HNNXBMFYSA-N	1	0	357.458	1.945	20	30		FDEDRO
CNC(=O)C1([NH2+]Cc2ccc(OC)c(OCCCC#N)c2)CCOCC1	ZINC000895884216	822783824	/nfs/dbraw/zinc/78/38/24/822783824.db2.gz	MLJWSCRIAUIDKE-UHFFFAOYSA-N	1	0	361.442	1.763	20	30		FDEDRO
C[C@@H](c1cnccn1)[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C1	ZINC001087925340	823937146	/nfs/dbraw/zinc/93/71/46/823937146.db2.gz	HUIKGKNIQRVJLV-IMJJTQAJSA-N	1	0	350.426	1.831	20	30		FDEDRO
Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]3C2)n1	ZINC001087938604	824017648	/nfs/dbraw/zinc/01/76/48/824017648.db2.gz	CAKFQIVRHAPBGN-CVEARBPZSA-N	1	0	367.457	1.189	20	30		FDEDRO
Cn1oc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)CC[C@@H]3C2)cc1=O	ZINC001087948235	824080866	/nfs/dbraw/zinc/08/08/66/824080866.db2.gz	PNWSSYSBFFBCNO-SJORKVTESA-N	1	0	366.421	1.444	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4[nH]ccc4C)C[C@@H]3C2)C1=O	ZINC001087953843	824131568	/nfs/dbraw/zinc/13/15/68/824131568.db2.gz	MTQOWASVCWMJCK-IXDOHACOSA-N	1	0	356.470	1.504	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cc[nH]c4CC)C[C@@H]3C2)C1=O	ZINC001087955401	824143380	/nfs/dbraw/zinc/14/33/80/824143380.db2.gz	LYEWWRCLMAKFMP-GJYPPUQNSA-N	1	0	370.497	1.758	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H]2C[N@H+](C[C@@H](O)Cc3ccc(F)cc3)CC[C@@H]2C1	ZINC001087961891	824183231	/nfs/dbraw/zinc/18/32/31/824183231.db2.gz	OKTWNFKUNKTTAJ-DYXWJJEUSA-N	1	0	370.468	1.923	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@@H]1CCOC2(CCCC2)C1)=[NH+]C1CCOCC1	ZINC000262270781	824489690	/nfs/dbraw/zinc/48/96/90/824489690.db2.gz	GRDNKJWMDWAZPO-MRXNPFEDSA-N	1	0	366.506	1.281	20	30		FDEDRO
CN1C[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC#Cc4ccccc4)CC[C@@H]3C2)CC1=O	ZINC001087985387	824528059	/nfs/dbraw/zinc/52/80/59/824528059.db2.gz	NVUPESGXVFZSSI-AQNXPRMDSA-N	1	0	365.477	1.297	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2OC)C1	ZINC001029846754	828658287	/nfs/dbraw/zinc/65/82/87/828658287.db2.gz	KJNKPWKQMLDSNU-JQHSSLGASA-N	1	0	359.470	1.962	20	30		FDEDRO
Cn1cc(N2CCC[C@@H](NC(=O)N3CCCC34CC[NH+](C)CC4)C2)cn1	ZINC000329042177	824543036	/nfs/dbraw/zinc/54/30/36/824543036.db2.gz	DRYJLJVMYIKTOP-MRXNPFEDSA-N	1	0	360.506	1.863	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1	ZINC000329090608	824574121	/nfs/dbraw/zinc/57/41/21/824574121.db2.gz	WPNLNZIWLAFHTR-JHNDHUHGSA-N	1	0	364.490	1.237	20	30		FDEDRO
Cc1cc(C)c(CNC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c(=O)[nH]1	ZINC000329092244	824576404	/nfs/dbraw/zinc/57/64/04/824576404.db2.gz	ACCFKQNEXSBTTQ-UHFFFAOYSA-N	1	0	363.506	1.776	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1C[C@@H](OC)C[C@H]1C(=O)N1CCCC1	ZINC000329112363	824601177	/nfs/dbraw/zinc/60/11/77/824601177.db2.gz	HBLTWQGQTDQNLP-IKGGRYGDSA-N	1	0	366.506	1.487	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@]1(C)O	ZINC000329116802	824601948	/nfs/dbraw/zinc/60/19/48/824601948.db2.gz	ISTQEDXOUKTIBH-RMJJICAUSA-N	1	0	366.550	1.942	20	30		FDEDRO
C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)C[C@@H]2NC(=O)NC2=O)CC1	ZINC000329169496	824639393	/nfs/dbraw/zinc/63/93/93/824639393.db2.gz	JPCGEXLDMBPORR-AWEZNQCLSA-N	1	0	373.413	1.695	20	30		FDEDRO
O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000329184051	824652737	/nfs/dbraw/zinc/65/27/37/824652737.db2.gz	PCFOCMWUMOARIP-IRXDYDNUSA-N	1	0	366.506	1.718	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccc4c(c3)OCCCO4)CC2)C1=O	ZINC000329201970	824665113	/nfs/dbraw/zinc/66/51/13/824665113.db2.gz	WUFHZTFECAAVKO-INIZCTEOSA-N	1	0	373.453	1.848	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@H]([NH+]3CCCCC3)C2)CC1	ZINC000329209161	824667134	/nfs/dbraw/zinc/66/71/34/824667134.db2.gz	BYYOCFWZLSHDQR-OALUTQOASA-N	1	0	361.534	1.239	20	30		FDEDRO
CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)CNC(=O)NC2CCCCC2)C1	ZINC000329207592	824667183	/nfs/dbraw/zinc/66/71/83/824667183.db2.gz	XSSUFNNYRPSMRX-IRXDYDNUSA-N	1	0	366.506	1.534	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@@H]2c2cccnc2)CC1	ZINC000329244261	824692893	/nfs/dbraw/zinc/69/28/93/824692893.db2.gz	UITJJNKZHKZMQS-RTBURBONSA-N	1	0	355.486	1.911	20	30		FDEDRO
O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C1CCN(c2ccc3nncn3n2)CC1	ZINC000329267879	824702679	/nfs/dbraw/zinc/70/26/79/824702679.db2.gz	GNUVGQVBKMDJBF-AWEZNQCLSA-N	1	0	355.446	1.534	20	30		FDEDRO
Cn1ncc2c1CCC[C@@H]2NC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1	ZINC000329375739	824761238	/nfs/dbraw/zinc/76/12/38/824761238.db2.gz	LMQJHCRXHVQBGZ-AEFFLSMTSA-N	1	0	374.533	1.813	20	30		FDEDRO
C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)NC[C@H]1CN(C)CCO1	ZINC000329459044	824806198	/nfs/dbraw/zinc/80/61/98/824806198.db2.gz	RMDKFVPSMPBBFB-HIFRSBDPSA-N	1	0	362.478	1.557	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1	ZINC000329478393	824822194	/nfs/dbraw/zinc/82/21/94/824822194.db2.gz	OQSMJTLQEGYZGI-QGZVFWFLSA-N	1	0	366.506	1.141	20	30		FDEDRO
C[C@H]1c2nncn2CCN1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C	ZINC000329514339	824844352	/nfs/dbraw/zinc/84/43/52/824844352.db2.gz	YERUBZBNNIRJSX-OFQRWUPVSA-N	1	0	372.477	1.385	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)[C@@]12CC[N@H+](C1)CCC2	ZINC000984781494	824877587	/nfs/dbraw/zinc/87/75/87/824877587.db2.gz	DNGUAJJJZBVLFJ-VPWXQRGCSA-N	1	0	369.469	1.482	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4[nH]ccc4C4CC4)[C@@H]3C2)C1=O	ZINC001075871735	828703061	/nfs/dbraw/zinc/70/30/61/828703061.db2.gz	MGYIFOUSSHUQET-RYQLBKOJSA-N	1	0	368.481	1.825	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC000984781056	824893142	/nfs/dbraw/zinc/89/31/42/824893142.db2.gz	AIUBPGCYNXVLIT-CWLKWCNXSA-N	1	0	371.485	1.726	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1	ZINC001087992623	824954957	/nfs/dbraw/zinc/95/49/57/824954957.db2.gz	COQVGJCWWJCIJN-SJORKVTESA-N	1	0	354.458	1.360	20	30		FDEDRO
C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(OCC#N)cc2)C1	ZINC000984815954	825036498	/nfs/dbraw/zinc/03/64/98/825036498.db2.gz	FAUSFSWOUHQKQN-MYZZLAAOSA-N	1	0	357.454	1.998	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCNC4=O)CC[C@@H]3C2)cc1	ZINC001088016661	825273938	/nfs/dbraw/zinc/27/39/38/825273938.db2.gz	PFTLNKPFBWIYHR-ZIFCJYIRSA-N	1	0	369.465	1.534	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H]3C[N@H+]([C@H](C)C(=O)NC)CC[C@@H]3C2)cc1	ZINC001088016606	825274072	/nfs/dbraw/zinc/27/40/72/825274072.db2.gz	NKHZYNMQRWYJSJ-NXHRZFHOSA-N	1	0	371.481	1.780	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnnn2CC)C1	ZINC000984903128	825341898	/nfs/dbraw/zinc/34/18/98/825341898.db2.gz	UTLDQSCWDBUSLS-LAQRGFTBSA-N	1	0	361.490	1.654	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1C#N	ZINC000439596139	825364767	/nfs/dbraw/zinc/36/47/67/825364767.db2.gz	LCCUIQDRHOVMFD-KRWDZBQOSA-N	1	0	370.453	1.979	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)NCc1nc2ccccc2n1C1CC1	ZINC000329852556	825504167	/nfs/dbraw/zinc/50/41/67/825504167.db2.gz	RMWDFQNTGCFMMM-OAHLLOKOSA-N	1	0	356.474	1.621	20	30		FDEDRO
CO[C@@H]1CN(Cc2cn(C(C)C)nc2C)C[C@H]1NC(=O)CSCC#N	ZINC001211888720	825517417	/nfs/dbraw/zinc/51/74/17/825517417.db2.gz	MEGMMCQHKLUNKL-HZPDHXFCSA-N	1	0	365.503	1.345	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@H](Nc3nc(Cl)c(C#N)s3)C2)O1	ZINC001059461377	825517926	/nfs/dbraw/zinc/51/79/26/825517926.db2.gz	DXWCESMRDGLPOX-GWOFURMSSA-N	1	0	369.878	1.446	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3coc4c3C(=O)NCCC4)C[C@@H]2C1	ZINC001088047660	825575375	/nfs/dbraw/zinc/57/53/75/825575375.db2.gz	MKVHSRQPSRQEGK-CABCVRRESA-N	1	0	355.438	1.373	20	30		FDEDRO
CCCN1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1=O	ZINC000329985917	825578333	/nfs/dbraw/zinc/57/83/33/825578333.db2.gz	RKPQVPQUXDSUHH-IAGOWNOFSA-N	1	0	366.506	1.223	20	30		FDEDRO
Cn1ccnc1[C@@H]1CN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CCN1C	ZINC000329999844	825586504	/nfs/dbraw/zinc/58/65/04/825586504.db2.gz	VLHIIXGQAYDKJB-IRXDYDNUSA-N	1	0	360.506	1.640	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC000984945445	825605577	/nfs/dbraw/zinc/60/55/77/825605577.db2.gz	BKKRBXGZRISLJN-VDNDLQMASA-N	1	0	357.458	1.336	20	30		FDEDRO
CC(C)n1ncc2c1C[C@H]([NH+]=C([O-])N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)CC2	ZINC000330074416	825621983	/nfs/dbraw/zinc/62/19/83/825621983.db2.gz	CWCZBMOGNUNLFK-HLLBOEOZSA-N	1	0	363.506	1.622	20	30		FDEDRO
Cc1nccc(NC(=O)N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1	ZINC000330084224	825626048	/nfs/dbraw/zinc/62/60/48/825626048.db2.gz	BTRHFJCOPXGLQT-INIZCTEOSA-N	1	0	362.478	1.057	20	30		FDEDRO
CN1C(=O)NC2(CCN(C(=O)NCC(C)(C)C[NH+]3CCCC3)CC2)C1=O	ZINC000330111844	825646851	/nfs/dbraw/zinc/64/68/51/825646851.db2.gz	RLLHPYJKZZRKRG-UHFFFAOYSA-N	1	0	365.478	1.243	20	30		FDEDRO
CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCc2c(ncn(C)c2=O)C1	ZINC000330119085	825651533	/nfs/dbraw/zinc/65/15/33/825651533.db2.gz	ZHZYJARGBHQTKG-OAHLLOKOSA-N	1	0	361.490	1.563	20	30		FDEDRO
CC(=O)NC[C@@H]1CCn2ncc(C(=O)N(C)C[C@@H]3CCC[N@H+](C)C3)c2C1	ZINC000330141648	825671488	/nfs/dbraw/zinc/67/14/88/825671488.db2.gz	QBHHLKBXOOFKHT-HZPDHXFCSA-N	1	0	361.490	1.836	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC(=O)Nc4ccccc43)C[C@@H]2C1	ZINC001088059828	825717077	/nfs/dbraw/zinc/71/70/77/825717077.db2.gz	WLFJGAWLLKTMEF-RYRKJORJSA-N	1	0	351.450	1.916	20	30		FDEDRO
CC(C)CN1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1=O	ZINC000330197556	825725561	/nfs/dbraw/zinc/72/55/61/825725561.db2.gz	RXFACKYOBMLXJA-UHFFFAOYSA-N	1	0	366.506	1.346	20	30		FDEDRO
O=C(N[C@@H]1CCn2ccnc2C1)N1CCC(CC[NH+]2CCOCC2)CC1	ZINC000330239675	825751015	/nfs/dbraw/zinc/75/10/15/825751015.db2.gz	BFCSPQIGQZXNAC-QGZVFWFLSA-N	1	0	361.490	1.546	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1	ZINC000330249713	825765683	/nfs/dbraw/zinc/76/56/83/825765683.db2.gz	GLEGFMJCMVOFNR-CABCVRRESA-N	1	0	366.506	1.485	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)CC[C@@H]2C1	ZINC001088067104	825803210	/nfs/dbraw/zinc/80/32/10/825803210.db2.gz	OGTLIWWFHKVERM-XHSDSOJGSA-N	1	0	354.516	1.414	20	30		FDEDRO
CCN1CC[NH+](CCCCNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1	ZINC000280968994	825831735	/nfs/dbraw/zinc/83/17/35/825831735.db2.gz	RNQHGTMIKXXOSL-HXUWFJFHSA-N	1	0	367.497	1.774	20	30		FDEDRO
C[NH+]1CCN(CCCNC(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1	ZINC000281027341	825857886	/nfs/dbraw/zinc/85/78/86/825857886.db2.gz	BPQPBLRVPCGMFQ-UHFFFAOYSA-N	1	0	352.442	1.111	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)CC2)o1	ZINC000281195955	825907729	/nfs/dbraw/zinc/90/77/29/825907729.db2.gz	MWGFIMAUSSKHGJ-PBHICJAKSA-N	1	0	357.458	1.624	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1	ZINC001059799954	832992148	/nfs/dbraw/zinc/99/21/48/832992148.db2.gz	HLSPRDJYTUHIBX-ZACQAIPSSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1	ZINC001059799953	832992156	/nfs/dbraw/zinc/99/21/56/832992156.db2.gz	HLSPRDJYTUHIBX-BBWFWOEESA-N	1	0	363.502	1.417	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CC[C@H](CN2CCOCC2)C1	ZINC000262366603	826086625	/nfs/dbraw/zinc/08/66/25/826086625.db2.gz	HVMWJXCBFYGTRM-XDNAFOTISA-N	1	0	364.534	1.420	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1CCN(c2ncccn2)CC1	ZINC000262371041	826149984	/nfs/dbraw/zinc/14/99/84/826149984.db2.gz	IOSKEELHSCOKDA-XHSDSOJGSA-N	1	0	358.490	1.378	20	30		FDEDRO
CO[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)c1cnn(C)c1	ZINC000281759517	826209897	/nfs/dbraw/zinc/20/98/97/826209897.db2.gz	FKIZVQBWTPVMNM-GOSISDBHSA-N	1	0	355.442	1.570	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3[nH]cnc3C)[C@H]2CC)CC1	ZINC000985110477	826385841	/nfs/dbraw/zinc/38/58/41/826385841.db2.gz	MZMIGTSTTVBTMK-DLBZAZTESA-N	1	0	371.485	1.173	20	30		FDEDRO
C=C(C)COCCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000475078955	826652215	/nfs/dbraw/zinc/65/22/15/826652215.db2.gz	DTJGEFOGVSORDC-OALUTQOASA-N	1	0	361.486	1.761	20	30		FDEDRO
[NH2+]=C(NC[C@H]1COC2(CCCC2)O1)N1CCN(c2ccc(F)cc2)CC1	ZINC000262438614	826792487	/nfs/dbraw/zinc/79/24/87/826792487.db2.gz	UQTSSIALSCEGNQ-KRWDZBQOSA-N	1	0	362.449	1.948	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)[C@H]2C)cc1	ZINC000987468997	833110218	/nfs/dbraw/zinc/11/02/18/833110218.db2.gz	PTZKGWNPZGQWOL-MNEFBYGVSA-N	1	0	369.465	1.512	20	30		FDEDRO
Cc1nonc1CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)CC[C@@H]2C1	ZINC001088157162	826892199	/nfs/dbraw/zinc/89/21/99/826892199.db2.gz	ZWQXJBWBSLKPKQ-KGLIPLIRSA-N	1	0	371.466	1.834	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCCS(=O)(=O)C3)C[C@@H]2C1	ZINC001088163622	826947882	/nfs/dbraw/zinc/94/78/82/826947882.db2.gz	XGULBEXFBSQYBT-KURKYZTESA-N	1	0	368.543	1.948	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCC[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC001059504846	826985694	/nfs/dbraw/zinc/98/56/94/826985694.db2.gz	AWXYUNXYENCAOP-JKIFEVAISA-N	1	0	357.458	1.195	20	30		FDEDRO
C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C[C@@H]2C1	ZINC001088169499	826990110	/nfs/dbraw/zinc/99/01/10/826990110.db2.gz	ZGSMPQGQVVLBMR-MNOVXSKESA-N	1	0	368.821	1.043	20	30		FDEDRO
N#Cc1cc(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)ncc1Br	ZINC000897219326	827179165	/nfs/dbraw/zinc/17/91/65/827179165.db2.gz	KLOFRMKVPSLCJN-UONOGXRCSA-N	1	0	351.248	1.751	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CC[C@H]4CCOC4)CC[C@@H]3C2)cn1	ZINC001088175376	827225796	/nfs/dbraw/zinc/22/57/96/827225796.db2.gz	SSQOZHGKUBFTJT-UHOSZYNNSA-N	1	0	353.466	1.883	20	30		FDEDRO
N#Cc1ccc(F)cc1CN1CC[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@@H]2C1	ZINC001088176702	827272744	/nfs/dbraw/zinc/27/27/44/827272744.db2.gz	KPFHXQJBQIKGNM-HFTRVMKXSA-N	1	0	370.428	1.256	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c(c3)nnn4CC)C[C@@H]2C1	ZINC001088197502	827414425	/nfs/dbraw/zinc/41/44/25/827414425.db2.gz	ONBJQKMQBBNBFH-SJORKVTESA-N	1	0	351.454	1.868	20	30		FDEDRO
C=C[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCC3)CC[C@@H]2C1)c1ccccc1	ZINC001088210064	827482667	/nfs/dbraw/zinc/48/26/67/827482667.db2.gz	VYVFJKYWJNCECG-HSALFYBXSA-N	1	0	367.493	1.969	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3CC(F)(F)F)C[C@@H]2C1	ZINC001088212598	827506082	/nfs/dbraw/zinc/50/60/82/827506082.db2.gz	BRPYGNKCKWYGKN-OWCLPIDISA-N	1	0	357.420	1.817	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2C)cc1	ZINC000523034480	827584784	/nfs/dbraw/zinc/58/47/84/827584784.db2.gz	MGYQXXZSWJNQLC-HNNXBMFYSA-N	1	0	359.430	1.143	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@@H](C[N@H+](C)Cc3cccc(C#N)c3)C2)C1	ZINC001029741140	827956916	/nfs/dbraw/zinc/95/69/16/827956916.db2.gz	JXDHOYLDCRYDQQ-AYOQOUSVSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1=O	ZINC001168075084	827980395	/nfs/dbraw/zinc/98/03/95/827980395.db2.gz	PPXMKUDONFMAHL-OTWHNJEPSA-N	1	0	355.482	1.981	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CCC([N@H+](C)Cc3cccc(C#N)c3)CC2)O1	ZINC000985492176	828013775	/nfs/dbraw/zinc/01/37/75/828013775.db2.gz	LHSWXEJNNUBUHB-OXQOHEQNSA-N	1	0	370.497	1.700	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CCC([N@H+](C)Cc3ccc(C#N)cc3)CC2)O1	ZINC000985493232	828017984	/nfs/dbraw/zinc/01/79/84/828017984.db2.gz	SFWMJJJYIYTMSE-OXQOHEQNSA-N	1	0	370.497	1.700	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)n(CCC#N)n1	ZINC000526666943	828872925	/nfs/dbraw/zinc/87/29/25/828872925.db2.gz	CCMQQANHFNEGCD-UHFFFAOYSA-N	1	0	358.446	1.131	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@@H]2CCN(C(C)C)C2=O)CC1	ZINC000985661648	828874099	/nfs/dbraw/zinc/87/40/99/828874099.db2.gz	OXQJTHXAXUOTMA-KURKYZTESA-N	1	0	363.502	1.510	20	30		FDEDRO
CC1(C)C[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C[C@@H]1O	ZINC000447922595	828937360	/nfs/dbraw/zinc/93/73/60/828937360.db2.gz	AXKCOJBAECXATL-ZBFHGGJFSA-N	1	0	362.499	1.160	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)NCC3([NH+](C)C)CCCC3)CC2)c1C#N	ZINC000527065750	828941056	/nfs/dbraw/zinc/94/10/56/828941056.db2.gz	AFGVLWQHQNHMMU-UHFFFAOYSA-N	1	0	373.505	1.306	20	30		FDEDRO
N#CC1(NC(=O)CN2CCC(C(=O)NCc3ccc(F)cc3)CC2)CCC1	ZINC000527128103	828961000	/nfs/dbraw/zinc/96/10/00/828961000.db2.gz	SSTGUZGVGRXGRK-UHFFFAOYSA-N	1	0	372.444	1.716	20	30		FDEDRO
COc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)ccc1C#N	ZINC000448550161	829178952	/nfs/dbraw/zinc/17/89/52/829178952.db2.gz	RABYTKMMTOXAPA-FUHWJXTLSA-N	1	0	356.470	1.647	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCNCc1nsc(N(C)C)n1	ZINC001168101281	829226368	/nfs/dbraw/zinc/22/63/68/829226368.db2.gz	QCFAKWVZHHMNKX-JSGCOSHPSA-N	1	0	353.492	1.181	20	30		FDEDRO
Cc1[nH]c(C#N)cc1C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1	ZINC000448832041	829260307	/nfs/dbraw/zinc/26/03/07/829260307.db2.gz	BSVNPUCBYJSRPF-UHFFFAOYSA-N	1	0	366.425	1.059	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CC1	ZINC000528296473	829342234	/nfs/dbraw/zinc/34/22/34/829342234.db2.gz	PYRKZHFRHIQFAS-SFHVURJKSA-N	1	0	368.485	1.802	20	30		FDEDRO
CCN(CC)C(=O)C1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1	ZINC000528364253	829360666	/nfs/dbraw/zinc/36/06/66/829360666.db2.gz	LKBZKKGRRJZBDF-GOSISDBHSA-N	1	0	359.470	1.878	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001088383177	829362571	/nfs/dbraw/zinc/36/25/71/829362571.db2.gz	XDWQGTSAMLKWTB-UPJWGTAASA-N	1	0	358.280	1.377	20	30		FDEDRO
Cn1ccnc1[C@H](O)C1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1	ZINC000528424265	829404240	/nfs/dbraw/zinc/40/42/40/829404240.db2.gz	LMGLWZHYTRRGTQ-PKOBYXMFSA-N	1	0	370.453	1.477	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)CN1CCN(c2ncc(F)cn2)CC1	ZINC000528452252	829417964	/nfs/dbraw/zinc/41/79/64/829417964.db2.gz	UVWHYURFOJJYMG-MRXNPFEDSA-N	1	0	357.389	1.049	20	30		FDEDRO
CC(C)(C[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1)C(N)=O	ZINC000528519570	829435743	/nfs/dbraw/zinc/43/57/43/829435743.db2.gz	UNLWTJRQKWBUIP-NVXWUHKLSA-N	1	0	359.470	1.912	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C[N@H+]2CC3(CCOCC3)CC[C@@H]2CO)c1	ZINC000528641871	829482297	/nfs/dbraw/zinc/48/22/97/829482297.db2.gz	WFZJEAGGMAQWPU-GOSISDBHSA-N	1	0	357.454	1.428	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH+]1CCC(Cc2nc(C3CCOCC3)no2)CC1	ZINC000528715739	829531808	/nfs/dbraw/zinc/53/18/08/829531808.db2.gz	OXWBZURPHYWCRS-CQSZACIVSA-N	1	0	362.474	1.909	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N(CC(C)C)C1CC1	ZINC001168110502	829555336	/nfs/dbraw/zinc/55/53/36/829555336.db2.gz	XIUONJYNSPQIEZ-HKUYNNGSSA-N	1	0	365.518	1.711	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cn(CC2CC2)nn1	ZINC000449754211	829650936	/nfs/dbraw/zinc/65/09/36/829650936.db2.gz	LEXBFQIAAYCTFN-UHFFFAOYSA-N	1	0	352.442	1.764	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1CC[C@H](CCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1	ZINC001059653173	829685966	/nfs/dbraw/zinc/68/59/66/829685966.db2.gz	ALHGCBMIPBASOU-IXDOHACOSA-N	1	0	365.518	1.663	20	30		FDEDRO
N#C[C@@H](CO)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1	ZINC000529467065	829903393	/nfs/dbraw/zinc/90/33/93/829903393.db2.gz	LRBGTKVABOJKFT-GBESFXJTSA-N	1	0	350.422	1.298	20	30		FDEDRO
C=C(Cl)CN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)[C@H]1C	ZINC001088619374	837404854	/nfs/dbraw/zinc/40/48/54/837404854.db2.gz	JSQCOPWYTJIJQI-HYVNUMGLSA-N	1	0	355.910	1.961	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1COC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC000729811814	837407244	/nfs/dbraw/zinc/40/72/44/837407244.db2.gz	CSNCPTARDRYULS-INIZCTEOSA-N	1	0	374.397	1.035	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21	ZINC000729811788	837407283	/nfs/dbraw/zinc/40/72/83/837407283.db2.gz	CFIFFQGXYVAPNK-WBTNSWJXSA-N	1	0	365.499	1.353	20	30		FDEDRO
C[NH+](C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C1)C1CC1	ZINC000985974888	830226415	/nfs/dbraw/zinc/22/64/15/830226415.db2.gz	GQJNTHURYXFLMK-RVKKMQEKSA-N	1	0	369.469	1.147	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C1	ZINC000985982658	830238953	/nfs/dbraw/zinc/23/89/53/830238953.db2.gz	HKYUZHXYFPBVCR-UXLLHSPISA-N	1	0	369.469	1.291	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)C[NH+](CC)CC)C1	ZINC001059689917	830489818	/nfs/dbraw/zinc/48/98/18/830489818.db2.gz	ZIUIQWUUCIONDO-KSZLIROESA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)CN2CC[N@H+](CCO)C[C@@H]2C)c(OC)c1	ZINC000452120010	830534427	/nfs/dbraw/zinc/53/44/27/830534427.db2.gz	QUMFOAIUQDKTJO-FUHWJXTLSA-N	1	0	364.486	1.162	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC[C@@H]2C1	ZINC000986081347	830580503	/nfs/dbraw/zinc/58/05/03/830580503.db2.gz	DHWPLMPPAIXMII-DYXWJJEUSA-N	1	0	369.509	1.581	20	30		FDEDRO
N#Cc1cccc(-c2cc(C(=O)NC[C@@H]3CCCC[N@H+]3CCO)on2)c1	ZINC000452380388	830641515	/nfs/dbraw/zinc/64/15/15/830641515.db2.gz	SNSTVOLCLWYBRA-INIZCTEOSA-N	1	0	354.410	1.790	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1C#N	ZINC000453614263	830969150	/nfs/dbraw/zinc/96/91/50/830969150.db2.gz	PJHZJVDCQCFRJC-MJBXVCDLSA-N	1	0	357.458	1.683	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1	ZINC000453639418	830977066	/nfs/dbraw/zinc/97/70/66/830977066.db2.gz	FFVAEVSAPWTFHI-OAHLLOKOSA-N	1	0	358.442	1.884	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(ccnc3OC)c2)CC1	ZINC000453664200	830995232	/nfs/dbraw/zinc/99/52/32/830995232.db2.gz	STKQAQHCCLXQDM-UHFFFAOYSA-N	1	0	368.437	1.949	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)/C(C)=C/C)CC[C@@H]3C2)CC1	ZINC000986245243	831355821	/nfs/dbraw/zinc/35/58/21/831355821.db2.gz	HDJAKOUPLBUPDK-XRZKJLPKSA-N	1	0	357.498	1.605	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4C[C@H]4CC)C[C@H]3C2)CC1	ZINC000986247145	831360368	/nfs/dbraw/zinc/36/03/68/831360368.db2.gz	WVCKLEVRISFZDZ-RSPOEFSDSA-N	1	0	371.525	1.685	20	30		FDEDRO
CC[C@H](C(=O)N1C[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1)[NH+](C)C	ZINC000986320995	831484193	/nfs/dbraw/zinc/48/41/93/831484193.db2.gz	LOUJSTUJSXXEBQ-UKPHBRMFSA-N	1	0	357.458	1.147	20	30		FDEDRO
CC[NH+]=C(NCc1cnc(N(C)C)n1C)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C	ZINC000262799202	831500453	/nfs/dbraw/zinc/50/04/53/831500453.db2.gz	QITOCGANMRZTLE-ARFHVFGLSA-N	1	0	362.522	1.745	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC[C@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC001059721261	831775748	/nfs/dbraw/zinc/77/57/48/831775748.db2.gz	BUILJVGTYKVYKW-FFZOFVMBSA-N	1	0	371.525	1.733	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)C[N@@H+](C)C(C)C)C1	ZINC001059729704	831962048	/nfs/dbraw/zinc/96/20/48/831962048.db2.gz	ZVDKTMRDESUZLA-KURKYZTESA-N	1	0	365.518	1.663	20	30		FDEDRO
Cc1c(C[NH2+]CCNc2ccc(C#N)cn2)c(=O)n(-c2ccccc2)n1C	ZINC000897398390	832087791	/nfs/dbraw/zinc/08/77/91/832087791.db2.gz	CPOKGUWGXHKIDN-UHFFFAOYSA-N	1	0	362.437	1.953	20	30		FDEDRO
[NH2+]=C(NC[C@H]1CS(=O)(=O)c2ccccc21)N[C@H]1CCOc2ccccc21	ZINC000263028758	832240188	/nfs/dbraw/zinc/24/01/88/832240188.db2.gz	AZUSZQFXJAYKNS-BBRMVZONSA-N	1	0	371.462	1.986	20	30		FDEDRO
C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC001105438992	832345694	/nfs/dbraw/zinc/34/56/94/832345694.db2.gz	UVJGSUBECKYSGQ-AWQBJMPUSA-N	1	0	355.482	1.880	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+](C)CC2CCN(C(=O)[C@H]3CC[C@@H](C)O3)CC2)C1=O	ZINC001029998686	832346761	/nfs/dbraw/zinc/34/67/61/832346761.db2.gz	XCDQNAGEDCFIKY-KBAYOESNSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C[C@H]1C[C@@]1(NC(=O)C1CC[NH+](Cc2ccncc2)CC1)C(=O)OCC	ZINC001142348125	832390864	/nfs/dbraw/zinc/39/08/64/832390864.db2.gz	OSUZWIHZRLRUOG-PXNSSMCTSA-N	1	0	357.454	1.918	20	30		FDEDRO
COc1ccc(C#N)cc1CN1CC[C@H](NC(=O)C[C@@H]2COC(=O)C2)[C@H]1C	ZINC001088523090	832410334	/nfs/dbraw/zinc/41/03/34/832410334.db2.gz	QYGFURWVDOVRBA-KMFMINBZSA-N	1	0	371.437	1.599	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)NC(=O)C2CCC2)C[C@H]1C(F)(F)F	ZINC001112220125	832491240	/nfs/dbraw/zinc/49/12/40/832491240.db2.gz	NDVJMHAYSBJXKF-IACUBPJLSA-N	1	0	359.392	1.293	20	30		FDEDRO
CN1CCC[NH+]=C1NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1	ZINC000263119704	832495420	/nfs/dbraw/zinc/49/54/20/832495420.db2.gz	LWQBJIBPQKLJDC-UHFFFAOYSA-N	1	0	355.442	1.837	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@H]21	ZINC001075885091	832511940	/nfs/dbraw/zinc/51/19/40/832511940.db2.gz	DYVQEJQMRVOFGI-XYJFISCASA-N	1	0	356.470	1.441	20	30		FDEDRO
C#CCOc1ccc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)cc1	ZINC000263154951	832586512	/nfs/dbraw/zinc/58/65/12/832586512.db2.gz	PVKPGXAPZCGTST-UHFFFAOYSA-N	1	0	350.426	1.126	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1	ZINC000666292521	832862236	/nfs/dbraw/zinc/86/22/36/832862236.db2.gz	XCCBURKUZBDVDI-KRWDZBQOSA-N	1	0	360.458	1.387	20	30		FDEDRO
C=C(Cl)CN1C[C@@H]2CCN(C(=O)c3cccc4c3NC(=O)CO4)[C@@H]2C1	ZINC001075891994	833585665	/nfs/dbraw/zinc/58/56/65/833585665.db2.gz	AEAAVMNLMCUVEC-GXTWGEPZSA-N	1	0	361.829	1.916	20	30		FDEDRO
CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)NCc1cccc(C#N)c1	ZINC000897434389	833599256	/nfs/dbraw/zinc/59/92/56/833599256.db2.gz	SEGSLKOZFPPETM-UHFFFAOYSA-N	1	0	356.470	1.899	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000987923148	833790604	/nfs/dbraw/zinc/79/06/04/833790604.db2.gz	IACPIEXXLMJFLP-JCGIZDLHSA-N	1	0	371.485	1.537	20	30		FDEDRO
C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@@H]1C)[NH+]1CCCCCC1	ZINC000987948821	833833197	/nfs/dbraw/zinc/83/31/97/833833197.db2.gz	BYVBYWLFPOFVOV-VYDXJSESSA-N	1	0	371.485	1.870	20	30		FDEDRO
CC(C)[NH+]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000508661554	834300434	/nfs/dbraw/zinc/30/04/34/834300434.db2.gz	ZVGUPQNBDFAPEX-SFHVURJKSA-N	1	0	369.469	1.789	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCc2nc(C)no2)[C@@H]1C	ZINC001088575756	835007436	/nfs/dbraw/zinc/00/74/36/835007436.db2.gz	FMZNZKKNBZACRI-SIXLDLHFSA-N	1	0	362.474	1.871	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC2CCN(C(=O)c3ccccc3)CC2)CC1	ZINC000195002646	835289430	/nfs/dbraw/zinc/28/94/30/835289430.db2.gz	MVKUCWJFGNNLNL-UHFFFAOYSA-N	1	0	353.466	1.753	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC1CC1)C2	ZINC001112232190	835317285	/nfs/dbraw/zinc/31/72/85/835317285.db2.gz	HZMDPPDQKJYAIE-PXNSSMCTSA-N	1	0	360.502	1.767	20	30		FDEDRO
[NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000419117354	835437321	/nfs/dbraw/zinc/43/73/21/835437321.db2.gz	PXCVAGHIZKBKSP-ZFWWWQNUSA-N	1	0	367.371	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000454435291	835480648	/nfs/dbraw/zinc/48/06/48/835480648.db2.gz	VJEGZLQAGXAANT-MSOLQXFVSA-N	1	0	359.474	1.236	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3[nH]c(C)cc3C)[C@@H]2C)CC1	ZINC000988505961	835657207	/nfs/dbraw/zinc/65/72/07/835657207.db2.gz	GFXKTGCZCZWISE-AEFFLSMTSA-N	1	0	370.497	1.696	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC3(F)F)[C@@H]2C)CC1	ZINC000988506005	835657239	/nfs/dbraw/zinc/65/72/39/835657239.db2.gz	HWNNJKOMUZUPED-SNPRPXQTSA-N	1	0	353.413	1.092	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)C(=O)C(C)(C)C)[C@@H]2C)CC1	ZINC000988507608	835662313	/nfs/dbraw/zinc/66/23/13/835662313.db2.gz	WWAXDULTBPDFLV-ZBFHGGJFSA-N	1	0	361.486	1.052	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1C	ZINC000988509801	835675614	/nfs/dbraw/zinc/67/56/14/835675614.db2.gz	AQVPIHXPSZXFTB-KMFMINBZSA-N	1	0	357.458	1.480	20	30		FDEDRO
N#CCOc1ccccc1C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1	ZINC000245882956	835710519	/nfs/dbraw/zinc/71/05/19/835710519.db2.gz	NMHLFLFKARAMJO-ROUUACIJSA-N	1	0	365.433	1.954	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C)C1	ZINC000988533869	835805593	/nfs/dbraw/zinc/80/55/93/835805593.db2.gz	XCYCEUOSVDUZAJ-VYDXJSESSA-N	1	0	371.485	1.583	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1C	ZINC000988540089	835852300	/nfs/dbraw/zinc/85/23/00/835852300.db2.gz	KYGTXQCHUSMENO-PVAVHDDUSA-N	1	0	371.485	1.868	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCOCCCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105668824	844097692	/nfs/dbraw/zinc/09/76/92/844097692.db2.gz	ZXFIPOCCOGWOAJ-IZBJGVDFSA-N	1	0	368.518	1.582	20	30		FDEDRO
C[C@H]([NH3+])C(=O)N1[C@H](c2nc(-c3cc(C#N)ccc3F)no2)COC1(C)C	ZINC001211987672	835876530	/nfs/dbraw/zinc/87/65/30/835876530.db2.gz	DRNNOXNIZWXNPI-ZANVPECISA-N	1	0	359.361	1.731	20	30		FDEDRO
N#CCCCOc1cccnc1NC(=O)NC[C@@H]1CCC[N@H+]1CCCO	ZINC000455171436	835926611	/nfs/dbraw/zinc/92/66/11/835926611.db2.gz	VQCZCOLCERXBCZ-HNNXBMFYSA-N	1	0	361.446	1.732	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[NH+](C)C	ZINC000455441238	836062825	/nfs/dbraw/zinc/06/28/25/836062825.db2.gz	MLKTXVFOKKUMGE-ZDUSSCGKSA-N	1	0	372.429	1.588	20	30		FDEDRO
Cc1cc(-c2noc([C@@H]3[C@@H](C)OC(C)(C)N3C(=O)C[NH3+])n2)ccc1C#N	ZINC001212033869	836323187	/nfs/dbraw/zinc/32/31/87/836323187.db2.gz	MDGCINJPSSVRHM-ABAIWWIYSA-N	1	0	355.398	1.900	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ccccc3C2)C[C@H]1OC	ZINC001212032045	836345056	/nfs/dbraw/zinc/34/50/56/836345056.db2.gz	HFFDSOSASYBQKG-NSISKUIASA-N	1	0	358.482	1.810	20	30		FDEDRO
CO[C@@H]1CN(Cc2cc(=O)oc3cc(C)ccc23)C[C@H]1NC(=O)[C@@H](C)C#N	ZINC001212041709	836357221	/nfs/dbraw/zinc/35/72/21/836357221.db2.gz	YNXBAOXMANEDNF-FDQGKXFDSA-N	1	0	369.421	1.577	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H]1C	ZINC000988638378	836430464	/nfs/dbraw/zinc/43/04/64/836430464.db2.gz	DUIGRKQFXLCICG-IKGGRYGDSA-N	1	0	358.486	1.735	20	30		FDEDRO
C[NH+]=C(NCCN1CCOC(C)(C)C1)N1CC[C@H](C)[C@@H](n2ccnc2)C1	ZINC000179226737	836767163	/nfs/dbraw/zinc/76/71/63/836767163.db2.gz	CUEHNAPXOLLCCF-IRXDYDNUSA-N	1	0	362.522	1.452	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1	ZINC000989034395	838145588	/nfs/dbraw/zinc/14/55/88/838145588.db2.gz	BDRWPVMZBWBYCV-XSLAGTTESA-N	1	0	365.518	1.661	20	30		FDEDRO
N#CCSCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CCOCC2)C1	ZINC001112264506	844297276	/nfs/dbraw/zinc/29/72/76/844297276.db2.gz	KRARKJAKRKLGEV-WMZOPIPTSA-N	1	0	351.516	1.888	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1C	ZINC000989050817	838225105	/nfs/dbraw/zinc/22/51/05/838225105.db2.gz	IXMWFLOVSIXGDF-ZACQAIPSSA-N	1	0	358.486	1.735	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CCCO)C3)[C@@H]2C(C)C)cn1	ZINC001105669906	844325542	/nfs/dbraw/zinc/32/55/42/844325542.db2.gz	WLILHINCZCBATR-WERVVEIQSA-N	1	0	371.481	1.025	20	30		FDEDRO
C#CC[C@H]([NH2+]CC(=O)Nc1c(C(=O)OCC)cnn1C)c1ccccc1	ZINC000271730588	838417825	/nfs/dbraw/zinc/41/78/25/838417825.db2.gz	SECYLPPAVZIPQX-INIZCTEOSA-N	1	0	354.410	1.890	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21	ZINC000272317869	838432716	/nfs/dbraw/zinc/43/27/16/838432716.db2.gz	KEGLZYPILRILBE-CJNGLKHVSA-N	1	0	359.401	1.329	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@]34CC[N@H+](C3)CCC4)[C@@H]2C)cn1	ZINC000989158455	838518653	/nfs/dbraw/zinc/51/86/53/838518653.db2.gz	APRLOXKHDPKXEZ-YWMUFLPLSA-N	1	0	366.465	1.268	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCOCC2)[C@@H]1C	ZINC001088631489	838605816	/nfs/dbraw/zinc/60/58/16/838605816.db2.gz	NKAHOJZKNYGIKK-HOJAQTOUSA-N	1	0	361.530	1.870	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C	ZINC000989191049	838645021	/nfs/dbraw/zinc/64/50/21/838645021.db2.gz	MPIIMUKNGXOPAG-UZLBHIALSA-N	1	0	367.493	1.658	20	30		FDEDRO
N#Cc1ccccc1COc1cccc(C[NH2+]C[C@H](O)Cn2ccnn2)c1	ZINC000459693867	838915795	/nfs/dbraw/zinc/91/57/95/838915795.db2.gz	JEPQGUIHLIOCBC-IBGZPJMESA-N	1	0	363.421	1.879	20	30		FDEDRO
CN(C(=O)C(=O)N1CCC(C#N)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000459917923	839079535	/nfs/dbraw/zinc/07/95/35/839079535.db2.gz	KGUPDKNSSRGXEI-GOSISDBHSA-N	1	0	354.454	1.481	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N(C)CC[NH+]1CCCC1	ZINC000460061466	839273850	/nfs/dbraw/zinc/27/38/50/839273850.db2.gz	JWUQLJAGEKHWFK-UHFFFAOYSA-N	1	0	354.454	1.627	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088670421	839552617	/nfs/dbraw/zinc/55/26/17/839552617.db2.gz	GQTLPDBGJMMBIS-OLMNPRSZSA-N	1	0	354.454	1.506	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(NC(=O)OC)c2)c1C#N	ZINC000760305119	839759205	/nfs/dbraw/zinc/75/92/05/839759205.db2.gz	AKINMGSUIFEPAV-UHFFFAOYSA-N	1	0	356.386	1.864	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC000989390770	839868812	/nfs/dbraw/zinc/86/88/12/839868812.db2.gz	MOWWKTLKZAMDBM-LOUJCGABSA-N	1	0	357.458	1.336	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1COC(=O)c1cccc(N2CCCS2(=O)=O)c1	ZINC000729809493	839920421	/nfs/dbraw/zinc/92/04/21/839920421.db2.gz	LCVOTBJIFIWLCJ-KRWDZBQOSA-N	1	0	362.451	1.481	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1C[C@@]2(CN(C(C)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105587389	840028499	/nfs/dbraw/zinc/02/84/99/840028499.db2.gz	GNAAOGGSLORXBL-LFGUQSLTSA-N	1	0	365.518	1.397	20	30		FDEDRO
C[NH+]1CCC(CNC(=S)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1	ZINC000760486964	840047523	/nfs/dbraw/zinc/04/75/23/840047523.db2.gz	RDNYDKIPNHQDDL-IBGZPJMESA-N	1	0	371.554	1.913	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3snnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105594719	840580590	/nfs/dbraw/zinc/58/05/90/840580590.db2.gz	VVNQFSNVPCZTTL-SZXPJGKVSA-N	1	0	362.499	1.450	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CCC(CC)([NH+]3CCC3)CC2)c1	ZINC000898052648	840693337	/nfs/dbraw/zinc/69/33/37/840693337.db2.gz	XSOQORDHIGKFFN-UHFFFAOYSA-N	1	0	353.466	1.761	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCSC)[C@H]2C(C)C)C[C@H]1O	ZINC001105598580	840775886	/nfs/dbraw/zinc/77/58/86/840775886.db2.gz	TXHWTYYEGWFFKI-FPAYPSAMSA-N	1	0	368.543	1.355	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1	ZINC000842032502	840814739	/nfs/dbraw/zinc/81/47/39/840814739.db2.gz	DLAAPTSOTMEWMA-MOPGFXCFSA-N	1	0	369.465	1.029	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+][C@H]3CCN(c4cc(=O)[nH]cn4)C3)CC2)cc1	ZINC000898152973	840831537	/nfs/dbraw/zinc/83/15/37/840831537.db2.gz	QXNPJONUGYZLMH-KRWDZBQOSA-N	1	0	364.453	1.891	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)O1	ZINC001075943168	840957161	/nfs/dbraw/zinc/95/71/61/840957161.db2.gz	FBKHUPHGLYCKBI-XWPNQZOQSA-N	1	0	368.481	1.310	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105600612	840999728	/nfs/dbraw/zinc/99/97/28/840999728.db2.gz	KJBBTZQWWOFVHH-SOAMZJECSA-N	1	0	358.486	1.941	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CSCC#N)[C@H]2C(C)C)C[C@H]1O	ZINC001105601508	841035575	/nfs/dbraw/zinc/03/55/75/841035575.db2.gz	ZMGMXUSAJXVDEH-LMSBXDPUSA-N	1	0	351.516	1.785	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CNC(=O)CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105603472	841170644	/nfs/dbraw/zinc/17/06/44/841170644.db2.gz	KMTVMERHJPXEKV-KNCCTNLNSA-N	1	0	371.909	1.231	20	30		FDEDRO
C=CCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnnn3C)C2)[C@@H]1C(C)C	ZINC001105606444	841213417	/nfs/dbraw/zinc/21/34/17/841213417.db2.gz	DJOHGUDXAQXOOZ-ZAWLATJESA-N	1	0	361.490	1.247	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(CC)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105607581	841232016	/nfs/dbraw/zinc/23/20/16/841232016.db2.gz	UGDJXRCWXILINI-SOAMZJECSA-N	1	0	358.486	1.506	20	30		FDEDRO
CC[NH+]=C(NCC1(O)CCCCC1)N[C@H]1CCCN(c2cnn(C)c2)C1	ZINC000085154635	841398195	/nfs/dbraw/zinc/39/81/95/841398195.db2.gz	FALRDQFVIQYTDO-INIZCTEOSA-N	1	0	362.522	1.639	20	30		FDEDRO
N#Cc1ccccc1C(F)(F)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O	ZINC000912991815	861201108	/nfs/dbraw/zinc/20/11/08/861201108.db2.gz	CBPSBVNSRLCZPC-AWEZNQCLSA-N	1	0	350.369	1.106	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)CN2CCCCC2=O)CCN1CC#Cc1ccccc1	ZINC001088697792	841711871	/nfs/dbraw/zinc/71/18/71/841711871.db2.gz	KFRVUUGVLBTMKO-MJGOQNOKSA-N	1	0	353.466	1.630	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105611010	841748186	/nfs/dbraw/zinc/74/81/86/841748186.db2.gz	OGNQXWMBBNKZFO-ZAWLATJESA-N	1	0	354.491	1.192	20	30		FDEDRO
C=CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000669057083	861237186	/nfs/dbraw/zinc/23/71/86/861237186.db2.gz	GXOYBOCJBKUAGE-INIZCTEOSA-N	1	0	359.478	1.412	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CNC(=O)CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105613807	842224835	/nfs/dbraw/zinc/22/48/35/842224835.db2.gz	CABTVMXXSONSMX-YKCBXCCJSA-N	1	0	365.518	1.445	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCF)C2)[C@@H]1C(C)C	ZINC001105615352	842231524	/nfs/dbraw/zinc/23/15/24/842231524.db2.gz	SWDDMJURVUZFDS-ZAWLATJESA-N	1	0	356.482	1.905	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cccnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105618764	842234042	/nfs/dbraw/zinc/23/40/42/842234042.db2.gz	ALYDPACIAQQJHW-UKAVVXHISA-N	1	0	355.482	1.614	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnnc(C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619395	842237797	/nfs/dbraw/zinc/23/77/97/842237797.db2.gz	KGOUQWJFUHRVNY-SOAMZJECSA-N	1	0	358.486	1.941	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3OCCCO3)[C@H]2C(C)C)C[C@H]1O	ZINC001105619660	842238355	/nfs/dbraw/zinc/23/83/55/842238355.db2.gz	OYLSEYCCEOZRCJ-YKCBXCCJSA-N	1	0	364.486	1.129	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C#N)[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105619805	842239628	/nfs/dbraw/zinc/23/96/28/842239628.db2.gz	REQIUEAKQVHOMN-FTEYMNFISA-N	1	0	354.454	1.489	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(C)c3N)[C@H]2C(C)C)C[C@H]1O	ZINC001105619819	842239968	/nfs/dbraw/zinc/23/99/68/842239968.db2.gz	RMZKLCOPNGMDCG-OAFZBRQQSA-N	1	0	361.490	1.158	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(F)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105619840	842240621	/nfs/dbraw/zinc/24/06/21/842240621.db2.gz	RSHKKEBJRWGFKB-XSYGEPLQSA-N	1	0	359.445	1.824	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(F)=C(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105620016	842241410	/nfs/dbraw/zinc/24/14/10/842241410.db2.gz	VDTODODDMJVMDK-ZTRFORPCSA-N	1	0	366.477	1.866	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3coc(CC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105620151	842242092	/nfs/dbraw/zinc/24/20/92/842242092.db2.gz	XBMQHYLSPGHUAF-ODZKNYGOSA-N	1	0	359.470	1.840	20	30		FDEDRO
COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C#CC(C)(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105626503	842256737	/nfs/dbraw/zinc/25/67/37/842256737.db2.gz	CEADSAXFFJYGDR-QQTQMKHKSA-N	1	0	350.503	1.648	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nn(C)cc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105626507	842256928	/nfs/dbraw/zinc/25/69/28/842256928.db2.gz	CFSMBOILDPAQOD-QQTQMKHKSA-N	1	0	360.502	1.884	20	30		FDEDRO
CC/C(C)=C/C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC#CCOC)C2)[C@@H]1C(C)C	ZINC001105627433	842259319	/nfs/dbraw/zinc/25/93/19/842259319.db2.gz	NPVHGKDNHASRRY-PZBCJVGSSA-N	1	0	362.514	1.959	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3onc(C)c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105636965	842269366	/nfs/dbraw/zinc/26/93/66/842269366.db2.gz	HPONHDYANNZACO-ZTRFORPCSA-N	1	0	359.470	1.894	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)ncn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105636954	842269474	/nfs/dbraw/zinc/26/94/74/842269474.db2.gz	HJEGMYTYRFFEET-CIWUYKSXSA-N	1	0	358.486	1.332	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CCCO)C3)[C@H]2C(C)C)CCC1	ZINC001105637728	842273314	/nfs/dbraw/zinc/27/33/14/842273314.db2.gz	VBIXYUMXGDYYCE-NEYJZJCJSA-N	1	0	362.514	1.529	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3c[nH]cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105637876	842274765	/nfs/dbraw/zinc/27/47/65/842274765.db2.gz	WTWIKJYORWSONG-JYBIWHBTSA-N	1	0	358.486	1.332	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)C(N)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105638091	842275440	/nfs/dbraw/zinc/27/54/40/842275440.db2.gz	ZSEILLVZFGRSMJ-CUYVQJCZSA-N	1	0	351.491	1.040	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(COCC)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105641309	842277110	/nfs/dbraw/zinc/27/71/10/842277110.db2.gz	AIAMLFAXKSVZBE-WOCWXWTJSA-N	1	0	350.503	1.955	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc[nH]c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105632409	842280120	/nfs/dbraw/zinc/28/01/20/842280120.db2.gz	KZUNZLGLOBEQOP-FTEYMNFISA-N	1	0	361.486	1.797	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN(C)C(=O)C3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105634012	842283156	/nfs/dbraw/zinc/28/31/56/842283156.db2.gz	YTPGEKHEOCMFTH-CIWUYKSXSA-N	1	0	363.502	1.007	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3ccncn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105633941	842283337	/nfs/dbraw/zinc/28/33/37/842283337.db2.gz	YAPLAEVOOJJEOB-QCFAMHMHSA-N	1	0	370.497	1.399	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3csnn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105642245	842304560	/nfs/dbraw/zinc/30/45/60/842304560.db2.gz	IGPQMQOKFIQMKY-MMTVNHQJSA-N	1	0	350.488	1.694	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnco3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105643157	842328902	/nfs/dbraw/zinc/32/89/02/842328902.db2.gz	UKAQQFQKWYEGLM-LFEHRJTNSA-N	1	0	363.458	1.457	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105643411	842335974	/nfs/dbraw/zinc/33/59/74/842335974.db2.gz	XYHKGADCLBNAKN-DLVXIWMQSA-N	1	0	360.502	1.966	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3nccc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105656426	842493624	/nfs/dbraw/zinc/49/36/24/842493624.db2.gz	PUWKFWFCKRPVGB-LFGUQSLTSA-N	1	0	358.486	1.181	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C4CC4)n[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105657248	842496878	/nfs/dbraw/zinc/49/68/78/842496878.db2.gz	XLBICQGYFLZRAS-ANTGDGSKSA-N	1	0	370.497	1.890	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)N(C)C)C2)[C@H]1C(C)C	ZINC001105658838	842499944	/nfs/dbraw/zinc/49/99/44/842499944.db2.gz	KDBQVAWTFKWGMK-XNFNUYLZSA-N	1	0	365.518	1.397	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1	ZINC000991423136	861318531	/nfs/dbraw/zinc/31/85/31/861318531.db2.gz	WELSSYBECGJRJN-NJAFHUGGSA-N	1	0	363.502	1.559	20	30		FDEDRO
C[C@@H](OC(=O)COC1CC[NH+](C)CC1)C(=O)N(CCC#N)c1ccccc1	ZINC000923793865	842545474	/nfs/dbraw/zinc/54/54/74/842545474.db2.gz	HJTOOOZDDKLXGY-MRXNPFEDSA-N	1	0	373.453	1.976	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCc2nc(C#N)cs2)CC1=O	ZINC000842094740	842559087	/nfs/dbraw/zinc/55/90/87/842559087.db2.gz	NPARJUDDVWQKIK-GXTWGEPZSA-N	1	0	362.455	1.391	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(OC)o3)[C@H]2C(C)C)C[C@H]1O	ZINC001105660899	842637139	/nfs/dbraw/zinc/63/71/39/842637139.db2.gz	ACBSDZWNAKZKNL-OHRYMORCSA-N	1	0	360.454	1.891	20	30		FDEDRO
COc1nccc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)n1	ZINC001088735998	842678678	/nfs/dbraw/zinc/67/86/78/842678678.db2.gz	VQNMSFCSPLRBNT-CJNGLKHVSA-N	1	0	351.410	1.750	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncccc3F)[C@H]2C(C)C)C[C@H]1O	ZINC001105664203	842886187	/nfs/dbraw/zinc/88/61/87/842886187.db2.gz	XABWZJWYJRJNEC-HBXLWWENSA-N	1	0	359.445	1.824	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC001060051227	843011502	/nfs/dbraw/zinc/01/15/02/843011502.db2.gz	KMLSZHNVDDRUBW-IMFGXOCKSA-N	1	0	367.493	1.977	20	30		FDEDRO
Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2C#N)c(OCC[NH+](C)C)c1	ZINC000461764654	843156804	/nfs/dbraw/zinc/15/68/04/843156804.db2.gz	ATIPLGFWYQSUCD-CABCVRRESA-N	1	0	358.442	1.682	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ncc[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105666699	843293921	/nfs/dbraw/zinc/29/39/21/843293921.db2.gz	ILTYPMHQKBOYON-SMOSDQRPSA-N	1	0	360.502	1.885	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1	ZINC000462103487	843314273	/nfs/dbraw/zinc/31/42/73/843314273.db2.gz	GEHLIYIOCBCMCX-CVEARBPZSA-N	1	0	365.441	2.196	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(CCOC)CCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667332	843610735	/nfs/dbraw/zinc/61/07/35/843610735.db2.gz	ARHXCKIQCRRURX-IKVWTGGYSA-N	1	0	362.514	1.793	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(=O)NCC3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105667991	843745820	/nfs/dbraw/zinc/74/58/20/843745820.db2.gz	VLQDJWWRNSIBKK-WWNBULGVSA-N	1	0	363.502	1.055	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(Cl)no3)[C@H]2C(C)C)C[C@H]1O	ZINC001105668314	843787474	/nfs/dbraw/zinc/78/74/74/843787474.db2.gz	JDHDTRHUMIDCBM-MHRLRVJTSA-N	1	0	365.861	1.931	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCC(=O)NCCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105668497	843800635	/nfs/dbraw/zinc/80/06/35/843800635.db2.gz	KFTNMXSOVUVPQV-YAJHFMINSA-N	1	0	365.518	1.445	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC(N2C[C@H]([NH2+]C3CCC(C#N)CC3)CC2=O)C1	ZINC000898530257	844825107	/nfs/dbraw/zinc/82/51/07/844825107.db2.gz	ZXNHSAXMGAGABC-YMAMQOFZSA-N	1	0	362.474	1.879	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1O	ZINC001083505564	844922678	/nfs/dbraw/zinc/92/26/78/844922678.db2.gz	SWJCJCJSRUHAHT-QYZOEREBSA-N	1	0	356.470	1.094	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)[C@@H]1CCCO1	ZINC000842161972	845109629	/nfs/dbraw/zinc/10/96/29/845109629.db2.gz	DNTHZZZCNKKRMC-OTWHNJEPSA-N	1	0	365.433	1.253	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3ccnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105673771	845425055	/nfs/dbraw/zinc/42/50/55/845425055.db2.gz	OVLYPWRFHADLOH-LFGUQSLTSA-N	1	0	360.502	1.815	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]12CCC[C@H]1[N@H+](CCn1cccn1)CC2	ZINC000990740698	845457658	/nfs/dbraw/zinc/45/76/58/845457658.db2.gz	KYBBGAZYPJPFKI-AJYBTWMASA-N	1	0	358.486	1.978	20	30		FDEDRO
C#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CN(c4ccccn4)C[C@H]3C)CCC[C@H]12	ZINC000990743445	845493560	/nfs/dbraw/zinc/49/35/60/845493560.db2.gz	RTRAGLUWFDQGNE-DCXXXQMHSA-N	1	0	352.482	1.900	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1C(=O)NCC(=O)NCC[NH+]1CCCCCC1	ZINC000899141502	845842443	/nfs/dbraw/zinc/84/24/43/845842443.db2.gz	ZDPUGPKQOVKJMQ-UHFFFAOYSA-N	1	0	356.470	1.897	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CN(Cc2ccnc(OC)c2)C[C@@H]1O	ZINC001083525901	846374211	/nfs/dbraw/zinc/37/42/11/846374211.db2.gz	RGLZBZDHNIEUPS-WBVHZDCISA-N	1	0	356.426	1.053	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@@H]1O	ZINC001083525958	846375833	/nfs/dbraw/zinc/37/58/33/846375833.db2.gz	VJTLGNMSBCXMSZ-NSHGMRRFSA-N	1	0	369.465	1.053	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O	ZINC000842322966	846599301	/nfs/dbraw/zinc/59/93/01/846599301.db2.gz	FBIOMQOVMMTLCW-HUUCEWRRSA-N	1	0	356.422	1.948	20	30		FDEDRO
COc1nc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)co1	ZINC001076090638	847257717	/nfs/dbraw/zinc/25/77/17/847257717.db2.gz	CXCFKEGTAIYIJS-DOTOQJQBSA-N	1	0	352.394	1.901	20	30		FDEDRO
N#Cc1ccc(F)c(CN2C[C@@H]3CCN(C(=O)c4csnn4)[C@@H]3C2)c1	ZINC001076093992	847265561	/nfs/dbraw/zinc/26/55/61/847265561.db2.gz	HBJUPBXJCYBEOW-BLLLJJGKSA-N	1	0	357.414	1.895	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](CNc3cnc(C#N)cn3)C2)CC[N@@H+]1C	ZINC001060101163	847372790	/nfs/dbraw/zinc/37/27/90/847372790.db2.gz	RQRUIJSLVQUNPN-BHYGNILZSA-N	1	0	356.474	1.729	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3C[C@]4(C)C[NH+](C)C[C@@]4(C)C3)cc2C1=O	ZINC000913293929	861819966	/nfs/dbraw/zinc/81/99/66/861819966.db2.gz	VIQKHLSUEWJICK-SFTDATJTSA-N	1	0	367.449	1.882	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C[C@@H]4CCC(=O)N4)[C@@H]3C2)cc1	ZINC001076354641	847937393	/nfs/dbraw/zinc/93/73/93/847937393.db2.gz	FCBGCQAEHGPPOM-OKZBNKHCSA-N	1	0	352.438	1.260	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ncc[nH]3)[C@@H]2C1	ZINC001076402329	848064658	/nfs/dbraw/zinc/06/46/58/848064658.db2.gz	PEPSDYXDOGWUIV-DOTOQJQBSA-N	1	0	365.437	1.565	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(Cc4ccccc4C#N)C[C@H]32)C1	ZINC001076462225	848210292	/nfs/dbraw/zinc/21/02/92/848210292.db2.gz	MPEDNCIRCQJKCL-FFZOFVMBSA-N	1	0	352.482	1.933	20	30		FDEDRO
COc1c(C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)cnn1C	ZINC001076506909	848279753	/nfs/dbraw/zinc/27/97/53/848279753.db2.gz	JYFOBCVCCLXTIN-FUHWJXTLSA-N	1	0	365.437	1.647	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]21	ZINC001076501157	848294080	/nfs/dbraw/zinc/29/40/80/848294080.db2.gz	YUBXNUDWLXVDHT-ZYSHUDEJSA-N	1	0	353.466	1.220	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@@H+](CCc3ccnn3C)C[C@H]21	ZINC001076500845	848294212	/nfs/dbraw/zinc/29/42/12/848294212.db2.gz	TWRPGXBVDVMZAT-PZJWPPBQSA-N	1	0	362.477	1.719	20	30		FDEDRO
Cn1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(OCC#N)cc4)C[C@H]32)n1	ZINC001076569073	848464533	/nfs/dbraw/zinc/46/45/33/848464533.db2.gz	IOQBGXCZMPWRBJ-QFBILLFUSA-N	1	0	365.437	1.669	20	30		FDEDRO
C=C[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21)c1ccccc1	ZINC001076599518	848536303	/nfs/dbraw/zinc/53/63/03/848536303.db2.gz	SIPJPWDXJNGEQU-IPMKNSEASA-N	1	0	368.481	1.514	20	30		FDEDRO
CN1C[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)CCC1=O	ZINC001076609492	848562782	/nfs/dbraw/zinc/56/27/82/848562782.db2.gz	NLRFSPDIRGQGCE-GBESFXJTSA-N	1	0	366.465	1.459	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)C12CCC[NH+]1CCC2	ZINC001076725211	848851494	/nfs/dbraw/zinc/85/14/94/848851494.db2.gz	IWZAEYYEOAPKSO-ULQDDVLXSA-N	1	0	363.502	1.607	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1	ZINC001076748142	848929013	/nfs/dbraw/zinc/92/90/13/848929013.db2.gz	JDVOMGUJSRRQLV-GVDBMIGSSA-N	1	0	363.502	1.158	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCc4ccc(F)cc43)C[C@H]2O)c1	ZINC001076855640	849212736	/nfs/dbraw/zinc/21/27/36/849212736.db2.gz	FXIGKKXKOTYAKP-GUDVDZBRSA-N	1	0	368.412	1.878	20	30		FDEDRO
CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1)c1ccccc1	ZINC001076898625	849283535	/nfs/dbraw/zinc/28/35/35/849283535.db2.gz	SBCMXRAVBFGFCS-KZNAEPCWSA-N	1	0	354.410	1.049	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2scnc2C)C[C@H]1O	ZINC001077016552	849547928	/nfs/dbraw/zinc/54/79/28/849547928.db2.gz	RZLKTMLUPKXCKR-FPCVCCKLSA-N	1	0	365.499	1.137	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccc(C)cc2)C[C@H]1O	ZINC001077018812	849552715	/nfs/dbraw/zinc/55/27/15/849552715.db2.gz	CQBFACSSLREKPM-WTGUMLROSA-N	1	0	358.482	1.680	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CSC(C)C)C[C@]2(C)C1	ZINC001101135633	849692909	/nfs/dbraw/zinc/69/29/09/849692909.db2.gz	UOTXHXUAQGIZJG-RKVPGOIHSA-N	1	0	353.532	1.599	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2c(C)cccc2C)C[C@H]1O	ZINC001077158450	849952155	/nfs/dbraw/zinc/95/21/55/849952155.db2.gz	GJYCVVISNUHTHU-HSALFYBXSA-N	1	0	355.482	1.062	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O	ZINC001077280942	850384261	/nfs/dbraw/zinc/38/42/61/850384261.db2.gz	QRUDNLGVLYKHAL-NJDAHSKKSA-N	1	0	369.509	1.320	20	30		FDEDRO
O=C(N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O)c1ccc2c[nH+]cn2c1	ZINC001077395856	850815662	/nfs/dbraw/zinc/81/56/62/850815662.db2.gz	DVSUQWPTMWRTTB-WOJBJXKFSA-N	1	0	360.417	1.161	20	30		FDEDRO
CC(C)([NH3+])c1ccc(NC(=O)N(CCC#N)CCN2CCOCC2)cc1	ZINC000904581249	851290865	/nfs/dbraw/zinc/29/08/65/851290865.db2.gz	CFXBJTSMHIRMLD-UHFFFAOYSA-N	1	0	359.474	1.960	20	30		FDEDRO
C[C@@](O)(C[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)C(F)(F)C(F)(F)F	ZINC000905255757	851779109	/nfs/dbraw/zinc/77/91/09/851779109.db2.gz	JHJLMVAKNVARQV-RKDXNWHRSA-N	1	0	374.272	1.788	20	30		FDEDRO
C#Cc1cccc(C[NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)c1	ZINC000905280927	851813500	/nfs/dbraw/zinc/81/35/00/851813500.db2.gz	PPBLPOOWIXNYLM-KRWDZBQOSA-N	1	0	364.511	1.759	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1cnnn1-c1ccccc1Br	ZINC000913524264	862289787	/nfs/dbraw/zinc/28/97/87/862289787.db2.gz	GHPVQFWVFMPANO-UHFFFAOYSA-N	1	0	362.231	1.325	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Cc1noc2ccc(Br)cc12	ZINC000913523462	862290112	/nfs/dbraw/zinc/29/01/12/862290112.db2.gz	AQROPXGBPJJHOK-UHFFFAOYSA-N	1	0	350.216	1.814	20	30		FDEDRO
Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NCC#CC[NH+](C)C)C2)c1	ZINC000913516708	862299246	/nfs/dbraw/zinc/29/92/46/862299246.db2.gz	BNRBATTVDOGJRJ-GOSISDBHSA-N	1	0	355.482	1.837	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c1	ZINC000905447284	851924948	/nfs/dbraw/zinc/92/49/48/851924948.db2.gz	PMDUBTUVTLDYBK-LLVKDONJSA-N	1	0	372.315	1.480	20	30		FDEDRO
CCOC(=O)c1cnn(-c2ccc(C(=O)NCC#CC[NH+](C)C)cc2)c1C	ZINC000913516772	862299604	/nfs/dbraw/zinc/29/96/04/862299604.db2.gz	FDEVPAWBHYLMMN-UHFFFAOYSA-N	1	0	368.437	1.652	20	30		FDEDRO
Cc1c(C(=O)NCC#CC[NH+](C)C)nnn1-c1ccc(OC(F)F)cc1	ZINC000913518021	862300715	/nfs/dbraw/zinc/30/07/15/862300715.db2.gz	ABXPHWOQPBJXIR-UHFFFAOYSA-N	1	0	363.368	1.472	20	30		FDEDRO
C#CCN1CCC[C@H]([NH2+]C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000905462506	851963754	/nfs/dbraw/zinc/96/37/54/851963754.db2.gz	UEXNPBFKHBARPA-FXAWDEMLSA-N	1	0	365.518	1.826	20	30		FDEDRO
CN(C)[C@@H](CC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C(F)(F)F	ZINC000905575665	852049593	/nfs/dbraw/zinc/04/95/93/852049593.db2.gz	JNFGOZQOIFBLNT-LBPRGKRZSA-N	1	0	364.393	1.199	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCO[C@@](C)(C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1	ZINC000905589563	852080805	/nfs/dbraw/zinc/08/08/05/852080805.db2.gz	ZGUSZCRMXWVKAS-KSSFIOAISA-N	1	0	355.479	1.903	20	30		FDEDRO
COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]CCS(=O)(=O)c3ccc(C#N)cc3)[C@@H]2C1	ZINC000905654248	852122142	/nfs/dbraw/zinc/12/21/42/852122142.db2.gz	OIWJAINGXANVIS-SRABZTEZSA-N	1	0	362.451	1.509	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@@H]1O	ZINC001083593631	852225230	/nfs/dbraw/zinc/22/52/30/852225230.db2.gz	UOVNNLXPAURSHR-AQNXPRMDSA-N	1	0	370.497	1.340	20	30		FDEDRO
N#Cc1ccc(Cn2cc(CN3CCC([NH3+])CC3)nn2)c(OC(F)F)c1	ZINC000905807393	852277610	/nfs/dbraw/zinc/27/76/10/852277610.db2.gz	MFUCXTUTMANCKI-UHFFFAOYSA-N	1	0	362.384	1.723	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1	ZINC000906479890	852948842	/nfs/dbraw/zinc/94/88/42/852948842.db2.gz	QHJPNTACAJXVNR-ICSRJNTNSA-N	1	0	371.481	1.428	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000906570743	853032215	/nfs/dbraw/zinc/03/22/15/853032215.db2.gz	HZUXYCMDRCJALQ-ROUUACIJSA-N	1	0	373.501	1.476	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000668564882	853121570	/nfs/dbraw/zinc/12/15/70/853121570.db2.gz	BPMZXTUAPRWJDF-GOSISDBHSA-N	1	0	359.470	1.476	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1=O	ZINC000906666120	853128187	/nfs/dbraw/zinc/12/81/87/853128187.db2.gz	LORCLAQTQCBFDX-HNNXBMFYSA-N	1	0	358.442	1.064	20	30		FDEDRO
CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000906700295	853178283	/nfs/dbraw/zinc/17/82/83/853178283.db2.gz	GYWVUJRTLCUYOL-GFCCVEGCSA-N	1	0	365.231	1.373	20	30		FDEDRO
COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000906768783	853291808	/nfs/dbraw/zinc/29/18/08/853291808.db2.gz	JZOZVXYXMZWOHB-ZDUSSCGKSA-N	1	0	362.455	1.078	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)nc1	ZINC000906914004	853498515	/nfs/dbraw/zinc/49/85/15/853498515.db2.gz	XRVJWZWCOBOOQY-GOSISDBHSA-N	1	0	370.478	1.796	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1	ZINC000906966430	853593087	/nfs/dbraw/zinc/59/30/87/853593087.db2.gz	GGSODADTDZFXOA-HOTGVXAUSA-N	1	0	356.474	1.507	20	30		FDEDRO
COc1cc(C#N)cc(OCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1	ZINC000486085024	853607618	/nfs/dbraw/zinc/60/76/18/853607618.db2.gz	YLUGAEYNQWVBFH-GOSISDBHSA-N	1	0	361.442	1.419	20	30		FDEDRO
C[NH+]1CCN(CCNS(=O)(=O)c2c(C#N)sc3ccccc32)CC1	ZINC000907143539	853858662	/nfs/dbraw/zinc/85/86/62/853858662.db2.gz	VDEVACLAPZPWEE-UHFFFAOYSA-N	1	0	364.496	1.299	20	30		FDEDRO
C=CCn1c([C@@H]2CCOC2)nnc1N1CC[N@H+](CCOC)[C@@H](CCC)C1	ZINC000508911109	862507223	/nfs/dbraw/zinc/50/72/23/862507223.db2.gz	GWXUKTNSMGWSKZ-SJORKVTESA-N	1	0	363.506	1.905	20	30		FDEDRO
CC(C)[NH+]1CCN(CCC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1	ZINC000907381949	854167460	/nfs/dbraw/zinc/16/74/60/854167460.db2.gz	CZPSBKQBISGROI-UHFFFAOYSA-N	1	0	370.501	1.018	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCNC(=O)[C@H]1c1c(C)nc2ccccn21	ZINC000907584740	854406839	/nfs/dbraw/zinc/40/68/39/854406839.db2.gz	UNZDCXYZKQMPEK-QGZVFWFLSA-N	1	0	355.442	1.150	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC23CC[NH+](C)CC3)c1	ZINC000907854469	854720702	/nfs/dbraw/zinc/72/07/02/854720702.db2.gz	ZTDORWUQACNRCH-UHFFFAOYSA-N	1	0	363.483	1.461	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)NN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O	ZINC000907884336	854758146	/nfs/dbraw/zinc/75/81/46/854758146.db2.gz	ZNDJAPVFCMBZAZ-SFHVURJKSA-N	1	0	360.414	1.001	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(C(=O)c2cccc(C#CCO)c2)CC1	ZINC000907921032	854808833	/nfs/dbraw/zinc/80/88/33/854808833.db2.gz	IGCOPRVPRHRMFT-UHFFFAOYSA-N	1	0	351.406	1.396	20	30		FDEDRO
N#CC1(CS(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CCCCC1	ZINC000908007997	854897688	/nfs/dbraw/zinc/89/76/88/854897688.db2.gz	UTUVNLSRFGVGCH-JKSUJKDBSA-N	1	0	355.504	1.321	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1	ZINC000908163786	855101355	/nfs/dbraw/zinc/10/13/55/855101355.db2.gz	GZPSIBJJPQPRDZ-UHFFFAOYSA-N	1	0	352.866	1.897	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ncoc1C)C2	ZINC001112277460	855133633	/nfs/dbraw/zinc/13/36/33/855133633.db2.gz	YXSYLYFQTOWPKU-WTANOLMUSA-N	1	0	360.458	1.506	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1C	ZINC000908277130	855262576	/nfs/dbraw/zinc/26/25/76/855262576.db2.gz	BAGYWEXIBNXMEI-UHFFFAOYSA-N	1	0	351.472	1.882	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000908369078	855353864	/nfs/dbraw/zinc/35/38/64/855353864.db2.gz	GTVZLTJSUNBAPL-XWTMOSNGSA-N	1	0	365.518	1.661	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1	ZINC000669250664	862676825	/nfs/dbraw/zinc/67/68/25/862676825.db2.gz	PDTOQQJOZLEFKT-DLBZAZTESA-N	1	0	351.491	1.418	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000669255812	862693346	/nfs/dbraw/zinc/69/33/46/862693346.db2.gz	NKKJZOIIYGLFRH-HZPDHXFCSA-N	1	0	351.491	1.465	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)c1nnc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1C	ZINC000908568321	855582001	/nfs/dbraw/zinc/58/20/01/855582001.db2.gz	JHCKMVRKXWBPRC-HIFRSBDPSA-N	1	0	358.471	1.920	20	30		FDEDRO
C=CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	ZINC000908637292	855635346	/nfs/dbraw/zinc/63/53/46/855635346.db2.gz	RVGBNWZEOJEGBY-APWZRJJASA-N	1	0	355.490	1.714	20	30		FDEDRO
C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1CCN(c2cc[nH+]cc2)[C@H](C)C1	ZINC000908692216	855681215	/nfs/dbraw/zinc/68/12/15/855681215.db2.gz	QQCNZPFPUQLKDL-CABCVRRESA-N	1	0	367.457	1.178	20	30		FDEDRO
C=CCn1c(-c2cnsn2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000908713002	855716385	/nfs/dbraw/zinc/71/63/85/855716385.db2.gz	QSQQWCQCHGQUIT-ZDUSSCGKSA-N	1	0	361.475	1.141	20	30		FDEDRO
C=CCn1c(-c2ncon2)nnc1N1CCC(CC[NH+]2CCOCC2)CC1	ZINC000908732881	855728347	/nfs/dbraw/zinc/72/83/47/855728347.db2.gz	XYOHPQZCQBOPIU-UHFFFAOYSA-N	1	0	373.461	1.453	20	30		FDEDRO
C=CCn1c(-c2ccc(=O)n(C)c2)nnc1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1	ZINC000908744228	855743375	/nfs/dbraw/zinc/74/33/75/855743375.db2.gz	GQFRVMLRXKBAKS-GOEBONIOSA-N	1	0	354.458	1.360	20	30		FDEDRO
C=CCn1c(-c2ccc(=O)n(C)c2)nnc1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1	ZINC000908744233	855744208	/nfs/dbraw/zinc/74/42/08/855744208.db2.gz	GQFRVMLRXKBAKS-HOCLYGCPSA-N	1	0	354.458	1.360	20	30		FDEDRO
Cn1cc(Cl)cc1C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O	ZINC001083623917	855980232	/nfs/dbraw/zinc/98/02/32/855980232.db2.gz	FOMFNHMONCWPOM-AEFFLSMTSA-N	1	0	357.841	1.505	20	30		FDEDRO
C#CCCCc1nnc(N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)n1CCOC	ZINC000909206619	856304490	/nfs/dbraw/zinc/30/44/90/856304490.db2.gz	FFZXHBVNWGFFCK-KRWDZBQOSA-N	1	0	368.485	1.991	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1	ZINC000487783745	856729441	/nfs/dbraw/zinc/72/94/41/856729441.db2.gz	QHAMTSHFNRRINX-QZTJIDSGSA-N	1	0	364.534	1.476	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)nc1	ZINC000487826602	856753480	/nfs/dbraw/zinc/75/34/80/856753480.db2.gz	VBWMDIZYOJUUPP-YESZJQIVSA-N	1	0	355.442	1.743	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000910664861	857479478	/nfs/dbraw/zinc/47/94/78/857479478.db2.gz	QHAIYRKFOHDRMW-AWEZNQCLSA-N	1	0	360.483	1.522	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](Oc3ccccc3)C2)CC1	ZINC000668835965	857525226	/nfs/dbraw/zinc/52/52/26/857525226.db2.gz	NKUOBJDKSXAMJB-LJQANCHMSA-N	1	0	371.481	1.823	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2CCCC2)C[C@H]1C	ZINC001105753097	862931117	/nfs/dbraw/zinc/93/11/17/862931117.db2.gz	JJIRLNMFKWEKSD-IIAWOOMASA-N	1	0	364.490	1.261	20	30		FDEDRO
C#CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C1	ZINC000910725700	857559352	/nfs/dbraw/zinc/55/93/52/857559352.db2.gz	URVAKXSAJQPPCI-DLBZAZTESA-N	1	0	354.454	1.381	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1C	ZINC001105753828	862936012	/nfs/dbraw/zinc/93/60/12/862936012.db2.gz	CTTOGSFLPDLMNV-SJLPKXTDSA-N	1	0	363.502	1.298	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C(=O)N(c2ccc(C#N)cn2)[C@H]2CCC[NH2+]C2)C[C@H]1C	ZINC000910858853	857788926	/nfs/dbraw/zinc/78/89/26/857788926.db2.gz	VLEVAQOYLJSRBP-INMHGKMJSA-N	1	0	369.469	1.543	20	30		FDEDRO
CC(C)[N@H+](CCO)CC1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1	ZINC000910869896	857807159	/nfs/dbraw/zinc/80/71/59/857807159.db2.gz	PUVBJLKFRBUSHK-IBGZPJMESA-N	1	0	359.470	1.533	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCC2(CC1)CC[NH+](C)CC2	ZINC000910905040	857873326	/nfs/dbraw/zinc/87/33/26/857873326.db2.gz	ACSHKIMARZJIEZ-UHFFFAOYSA-N	1	0	374.510	1.913	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)C[C@@H]1CCOC1	ZINC000669335280	863009041	/nfs/dbraw/zinc/00/90/41/863009041.db2.gz	RQRBCUAUFFKNHN-BBWFWOEESA-N	1	0	361.490	1.863	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nnc(CC)n2C)C1	ZINC001112285027	863011396	/nfs/dbraw/zinc/01/13/96/863011396.db2.gz	JGDTUYCVXAOZAT-KXBFYZLASA-N	1	0	361.490	1.298	20	30		FDEDRO
N#Cc1cccc(CN2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@@H](O)C2)c1	ZINC001083644711	858463301	/nfs/dbraw/zinc/46/33/01/858463301.db2.gz	RYSHPHATNHATTE-MOPGFXCFSA-N	1	0	361.405	1.181	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1	ZINC000911332702	858473960	/nfs/dbraw/zinc/47/39/60/858473960.db2.gz	ZVVMYAKSRXEPCQ-WDEREUQCSA-N	1	0	353.410	1.150	20	30		FDEDRO
C[C@H]1[NH2+]CCn2c(C(=O)N3CCN(c4cc(C#N)ccn4)CC3)ccc21	ZINC000911637411	858843302	/nfs/dbraw/zinc/84/33/02/858843302.db2.gz	WNHKKONCQSQMFV-CQSZACIVSA-N	1	0	350.426	1.381	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3C)[C@H](C)C2)cc1	ZINC000994244865	881355960	/nfs/dbraw/zinc/35/59/60/881355960.db2.gz	MGVUITFAGJJYEO-NSISKUIASA-N	1	0	367.493	1.977	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N(CC)[C@H]1CC[N@H+](CC)C1	ZINC000668883874	858896746	/nfs/dbraw/zinc/89/67/46/858896746.db2.gz	OVDDSVXQVOFYKB-KRWDZBQOSA-N	1	0	359.470	1.810	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)CCC[C@H]12	ZINC000991382144	859700692	/nfs/dbraw/zinc/70/06/92/859700692.db2.gz	FQRRDDJUKXELPN-KNCOVGOOSA-N	1	0	360.376	1.469	20	30		FDEDRO
C#CCN(C(=O)NCC(=O)N1CCc2ccccc2C1)C1CC[NH+](C)CC1	ZINC000916210571	881463102	/nfs/dbraw/zinc/46/31/02/881463102.db2.gz	PFEMGEYXVUZICR-UHFFFAOYSA-N	1	0	368.481	1.310	20	30		FDEDRO
Cc1ncc(S(=O)(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1C#N	ZINC000489718915	860076034	/nfs/dbraw/zinc/07/60/34/860076034.db2.gz	MANOFYYQPGKCCZ-UHFFFAOYSA-N	1	0	371.466	1.852	20	30		FDEDRO
C=CCn1c(N2CC[N@H+](C)[C@H](C(C)C)C2)nnc1C1(OC)CCOCC1	ZINC000669007812	860113103	/nfs/dbraw/zinc/11/31/03/860113103.db2.gz	ABXPWGWGNHIEIW-INIZCTEOSA-N	1	0	363.506	1.893	20	30		FDEDRO
C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000912807207	860247864	/nfs/dbraw/zinc/24/78/64/860247864.db2.gz	JFMVBSSHDILYQM-YJBOKZPZSA-N	1	0	356.470	1.867	20	30		FDEDRO
C=CCOc1cn(-c2ccccc2)nc1C(=O)NCC1(O)CC[NH+](C)CC1	ZINC000673845071	881571401	/nfs/dbraw/zinc/57/14/01/881571401.db2.gz	VHPYVGQVISHULH-UHFFFAOYSA-N	1	0	370.453	1.624	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@H]([C@H]2CCOC2)C1	ZINC000669034176	860857304	/nfs/dbraw/zinc/85/73/04/860857304.db2.gz	ISDMHQAQKLXRNA-FJIDUMEYSA-N	1	0	373.501	1.863	20	30		FDEDRO
C=CCn1c(-c2cn(C)nn2)nnc1N1CCC[N@@H+](C2CCCC2)CC1	ZINC000669035379	860906766	/nfs/dbraw/zinc/90/67/66/860906766.db2.gz	CTCWADITLQNUDR-UHFFFAOYSA-N	1	0	356.478	1.714	20	30		FDEDRO
N#Cc1ccc(N2C[C@H](C(=O)N3CC[C@@H]([NH+]4CCC4)C3)CC2=O)cc1Cl	ZINC000912904025	861037467	/nfs/dbraw/zinc/03/74/67/861037467.db2.gz	OJNPEZUFZLEWTD-GDBMZVCRSA-N	1	0	372.856	1.871	20	30		FDEDRO
N#Cc1ccc(N2C[C@H](C(=O)N3CC[C@H]([NH+]4CCC4)C3)CC2=O)cc1Cl	ZINC000912904028	861037644	/nfs/dbraw/zinc/03/76/44/861037644.db2.gz	OJNPEZUFZLEWTD-ZBFHGGJFSA-N	1	0	372.856	1.871	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C)on2)C[C@H]1C	ZINC001105797626	863234003	/nfs/dbraw/zinc/23/40/03/863234003.db2.gz	HNNRGTVIQUIPLR-UKRRQHHQSA-N	1	0	361.446	1.043	20	30		FDEDRO
C=CCC[C@@H](O)C[N@@H+](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000760817052	863289848	/nfs/dbraw/zinc/28/98/48/863289848.db2.gz	JTVFKQLBDBJROA-OAHLLOKOSA-N	1	0	355.479	1.325	20	30		FDEDRO
C[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001105811147	863330769	/nfs/dbraw/zinc/33/07/69/863330769.db2.gz	PHWPNCSXKOWHLM-SJLPKXTDSA-N	1	0	371.456	1.484	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(Cl)o2)C[C@H]1C	ZINC001105825226	863390299	/nfs/dbraw/zinc/39/02/99/863390299.db2.gz	XVJMAUYAUJGEPQ-FRRDWIJNSA-N	1	0	351.834	1.369	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]CCCO[C@@H]1CCOC1	ZINC001105847911	863492193	/nfs/dbraw/zinc/49/21/93/863492193.db2.gz	KGMUZYQRRYNYOS-BZUAXINKSA-N	1	0	355.504	1.123	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]CCOC[C@@H]1CCCCO1	ZINC001105847772	863492775	/nfs/dbraw/zinc/49/27/75/863492775.db2.gz	HNCXIWGRABIVJP-ZACQAIPSSA-N	1	0	369.531	1.513	20	30		FDEDRO
CC(C)Cc1noc(C[NH2+]C[C@@H]2CN(C(=O)CSCC#N)C[C@H]2C)n1	ZINC001105849098	863495648	/nfs/dbraw/zinc/49/56/48/863495648.db2.gz	FLCACHFSDCXXPD-ZIAGYGMSSA-N	1	0	365.503	1.709	20	30		FDEDRO
CCn1nnc(C)c1C[NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C	ZINC001105849162	863497069	/nfs/dbraw/zinc/49/70/69/863497069.db2.gz	IKWMIGMSLWHQSV-TZMCWYRMSA-N	1	0	350.492	1.047	20	30		FDEDRO
C[C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001105867722	863555547	/nfs/dbraw/zinc/55/55/47/863555547.db2.gz	NWQWSJHLNWJVKJ-VQIMIIECSA-N	1	0	353.466	1.248	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CCSCC)C[C@H]2C)C1=O	ZINC001105873804	863575187	/nfs/dbraw/zinc/57/51/87/863575187.db2.gz	MAFCXJYGOSSCIV-BZUAXINKSA-N	1	0	353.532	1.601	20	30		FDEDRO
C=C(C)Cn1c(-c2ncccn2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000669459285	863632392	/nfs/dbraw/zinc/63/23/92/863632392.db2.gz	DWJSVIDUXCNRCS-INIZCTEOSA-N	1	0	369.473	1.612	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ncoc2C)C[C@H]1C	ZINC001105890487	863694521	/nfs/dbraw/zinc/69/45/21/863694521.db2.gz	IOYRVKAIADWCAQ-UKRRQHHQSA-N	1	0	361.446	1.043	20	30		FDEDRO
Cc1cc(NC[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C#N)cn1	ZINC001060317453	863810569	/nfs/dbraw/zinc/81/05/69/863810569.db2.gz	DYYCVWQFXFNQDA-BPQIPLTHSA-N	1	0	355.486	1.817	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1	ZINC001060321662	863910418	/nfs/dbraw/zinc/91/04/18/863910418.db2.gz	NUGDSIJXRGOYCF-ZACQAIPSSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CC2)[C@H](C)C1	ZINC001105913445	863951173	/nfs/dbraw/zinc/95/11/73/863951173.db2.gz	YNVLCTZNFXKFIC-HLLBOEOZSA-N	1	0	351.491	1.178	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NCC(C)C)[C@H](C)C1	ZINC001105929138	864062097	/nfs/dbraw/zinc/06/20/97/864062097.db2.gz	DZXKIQJOZHGCAQ-HUUCEWRRSA-N	1	0	352.479	1.119	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NCc2ccco2)[C@H](C)C1	ZINC001105938335	864132323	/nfs/dbraw/zinc/13/23/23/864132323.db2.gz	QIMMLPHUGFIRTM-OWCLPIDISA-N	1	0	363.458	1.171	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC2CCCCC2)[C@H](C)C1	ZINC001105938589	864133592	/nfs/dbraw/zinc/13/35/92/864133592.db2.gz	SSRZHMBFPNNSBD-IXDOHACOSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(S(C)(=O)=O)o2)[C@H](C)C1	ZINC001105941912	864153949	/nfs/dbraw/zinc/15/39/49/864153949.db2.gz	PSYMHXAOBUSANI-ZIAGYGMSSA-N	1	0	370.471	1.070	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)COCCCC)C[C@H]1C	ZINC001105966412	864261209	/nfs/dbraw/zinc/26/12/09/864261209.db2.gz	OLDAXOIMKCQUFU-QZTJIDSGSA-N	1	0	367.534	1.912	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NCCC)[C@H](C)C1	ZINC001105984577	864342292	/nfs/dbraw/zinc/34/22/92/864342292.db2.gz	PTQBQXKBGSIJSJ-BRWVUGGUSA-N	1	0	353.507	1.568	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]C[C@@H](O)CC(F)(F)F	ZINC001105985024	864345933	/nfs/dbraw/zinc/34/59/33/864345933.db2.gz	ANAPXONVFJSZJN-RTXFEEFZSA-N	1	0	358.364	1.497	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CCC)[C@H](C)C1	ZINC001105987751	864365918	/nfs/dbraw/zinc/36/59/18/864365918.db2.gz	PJQCMHMIOSQYKP-IAGOWNOFSA-N	1	0	363.506	1.855	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C)C(=O)NC(C)(C)C	ZINC001105989334	864382638	/nfs/dbraw/zinc/38/26/38/864382638.db2.gz	YCLYIFMZBRUYRE-UMVBOHGHSA-N	1	0	359.474	1.487	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCC2CCC2)C[C@H]1C	ZINC001105990045	864388630	/nfs/dbraw/zinc/38/86/30/864388630.db2.gz	BIPSGIJONVVDEE-GDBMZVCRSA-N	1	0	364.490	1.263	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccc(F)cc2)[C@H](C)C1)n1cncn1	ZINC001106018089	864659869	/nfs/dbraw/zinc/65/98/69/864659869.db2.gz	DPEVBFZVGVNWRQ-SOLBZPMBSA-N	1	0	369.444	1.714	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+]CC[C@@H]2CCS(=O)(=O)C2)[C@H](C)C1	ZINC001106026053	864815500	/nfs/dbraw/zinc/81/55/00/864815500.db2.gz	SWAAOEPYKSKGEQ-KZNAEPCWSA-N	1	0	368.543	1.689	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+]C[C@H](C)CS(C)(=O)=O)[C@H](C)C1	ZINC001106031281	864904716	/nfs/dbraw/zinc/90/47/16/864904716.db2.gz	ZSLPMICUSIANFK-GVDBMIGSSA-N	1	0	356.532	1.545	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nc(CC(C)C)no2)[C@H](C)C1	ZINC001106058836	865066654	/nfs/dbraw/zinc/06/66/54/865066654.db2.gz	JYRRYXFBNHRCEN-SPYBWZPUSA-N	1	0	364.490	1.779	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(C(N)=O)c2)[C@H](C)C1	ZINC001106059174	865069042	/nfs/dbraw/zinc/06/90/42/865069042.db2.gz	OENUAOXRLMLEEK-WIBUTAKZSA-N	1	0	359.470	1.297	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2cc(OC)ns2)[C@H](C)C1	ZINC001106059506	865071443	/nfs/dbraw/zinc/07/14/43/865071443.db2.gz	XGLMYNDWIFODPK-PBFPGSCMSA-N	1	0	353.488	1.663	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CCCOCC(F)(F)F)[C@H](C)C1	ZINC001106064698	865108662	/nfs/dbraw/zinc/10/86/62/865108662.db2.gz	FDKVFLXXIRFICZ-FMKPAKJESA-N	1	0	366.424	1.967	20	30		FDEDRO
Cc1ccc([C@H](C)C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)s1	ZINC001106876370	881851107	/nfs/dbraw/zinc/85/11/07/881851107.db2.gz	SUBIYTNXFOKNIQ-VHDGCEQUSA-N	1	0	362.499	1.484	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](CCn3nc(C)cc3C)[C@@H]2C)nn1	ZINC001088911205	865400277	/nfs/dbraw/zinc/40/02/77/865400277.db2.gz	DMQIDKIGWPPMBT-SJORKVTESA-N	1	0	371.489	1.560	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3ccccc3)C[C@@H]2O)nn1	ZINC001083849015	881898745	/nfs/dbraw/zinc/89/87/45/881898745.db2.gz	JWTLAOCJJZTSBD-KYJSFNMBSA-N	1	0	355.442	1.390	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](CC[C@H]2CCOC2)[C@@H]1C	ZINC001088989788	865946261	/nfs/dbraw/zinc/94/62/61/865946261.db2.gz	OMUNHMSJZWQWOJ-RYRKJORJSA-N	1	0	357.454	1.713	20	30		FDEDRO
Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCC[C@H]1CN1CCOCC1	ZINC000173373477	865969321	/nfs/dbraw/zinc/96/93/21/865969321.db2.gz	OPQZUEYVEPTFMQ-IBGZPJMESA-N	1	0	366.469	1.879	20	30		FDEDRO
CC(=O)N1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)CC1	ZINC001089029960	866161806	/nfs/dbraw/zinc/16/18/06/866161806.db2.gz	CYFAYRBJTDSTDN-QRWLVFNGSA-N	1	0	368.481	1.896	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cncc(C)c3)[C@@H]2C)CC1	ZINC001089059867	866387765	/nfs/dbraw/zinc/38/77/65/866387765.db2.gz	GBKKHHAKQUCLKP-XLIONFOSSA-N	1	0	354.498	1.814	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1	ZINC000442525905	866659590	/nfs/dbraw/zinc/65/95/90/866659590.db2.gz	RCTNECSBZSFNGH-INIZCTEOSA-N	1	0	370.453	1.886	20	30		FDEDRO
C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)CCC[C@H]12	ZINC000991976044	866694011	/nfs/dbraw/zinc/69/40/11/866694011.db2.gz	QFXHMRCDOCFHSG-DOADOZAASA-N	1	0	363.502	1.165	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1	ZINC000991987993	866856125	/nfs/dbraw/zinc/85/61/25/866856125.db2.gz	OVMROCCDBMIFJI-LNLFQRSKSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H](OC)C1	ZINC000946775705	882068699	/nfs/dbraw/zinc/06/86/99/882068699.db2.gz	OEBBFRAQEFJLGI-NWANDNLSSA-N	1	0	371.909	1.449	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)Cc1ccccc1	ZINC000535257468	867534602	/nfs/dbraw/zinc/53/46/02/867534602.db2.gz	LQYJNPDBIAKSIG-IBGZPJMESA-N	1	0	364.449	1.577	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)C2CC[NH+](C(C)C)CC2)C1	ZINC000992067502	867639793	/nfs/dbraw/zinc/63/97/93/867639793.db2.gz	QQRMWBUFOWDGNN-MSOLQXFVSA-N	1	0	363.502	1.415	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCc3scnc3C)C[C@H]2O)cc1	ZINC001077494073	867967911	/nfs/dbraw/zinc/96/79/11/867967911.db2.gz	ZHCMUILUAUPVPM-IAGOWNOFSA-N	1	0	355.463	1.450	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC2(F)F)C[C@H]1C	ZINC001106094806	867983344	/nfs/dbraw/zinc/98/33/44/867983344.db2.gz	ZLWGYRPXJBTJKZ-RBSFLKMASA-N	1	0	355.429	1.526	20	30		FDEDRO
NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2CC1	ZINC000946784016	882140710	/nfs/dbraw/zinc/14/07/10/882140710.db2.gz	AKHZSIBDZNUWMV-WCIQWLHISA-N	1	0	365.477	1.330	20	30		FDEDRO
C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[C@H](C(=O)N4CCCC4)O3)CCC[C@H]12	ZINC000992167951	868117823	/nfs/dbraw/zinc/11/78/23/868117823.db2.gz	LVOHAKOPVCNMAN-PFRQMTDMSA-N	1	0	361.486	1.456	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C)C(=O)NCC(F)(F)F	ZINC001106106124	868167028	/nfs/dbraw/zinc/16/70/28/868167028.db2.gz	JQLJVNNGKVILPW-MBNYWOFBSA-N	1	0	359.392	1.151	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]CC(=O)Nc1ccc(O)cc1	ZINC001106106190	868179392	/nfs/dbraw/zinc/17/93/92/868179392.db2.gz	MXGYNSSOCXKVQT-GDBMZVCRSA-N	1	0	355.438	1.428	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1	ZINC000443246813	868205135	/nfs/dbraw/zinc/20/51/35/868205135.db2.gz	PLNFQYDCQXTSNC-LJQANCHMSA-N	1	0	371.462	1.474	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@](C(=O)OC)(c2ccccc2)C1	ZINC000428799924	868229209	/nfs/dbraw/zinc/22/92/09/868229209.db2.gz	KYEWTRMYZBFPHY-IFXJQAMLSA-N	1	0	359.426	1.203	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3nc(C)no3)C[C@H]2CC1	ZINC000946786054	882170836	/nfs/dbraw/zinc/17/08/36/882170836.db2.gz	CGEGXIAUHOYEJE-TWMKSMIVSA-N	1	0	360.458	1.640	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C[NH2+][C@H]1CCN(C2CCC2)C1=O	ZINC001106109842	868304212	/nfs/dbraw/zinc/30/42/12/868304212.db2.gz	YDQVHMUWGPAJCE-NUJGCVRESA-N	1	0	359.514	1.873	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nc(CCCC)no2)[C@H](C)C1	ZINC001106111897	868393829	/nfs/dbraw/zinc/39/38/29/868393829.db2.gz	SALKAUZBDNVBQA-BZUAXINKSA-N	1	0	362.474	1.635	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cnns3)C[C@H]2CC1	ZINC000946788647	882190635	/nfs/dbraw/zinc/19/06/35/882190635.db2.gz	XNMJSDATPNHWRK-WTTBNOFXSA-N	1	0	362.499	1.800	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2C#N)[C@H](C)C1	ZINC001106114618	868498074	/nfs/dbraw/zinc/49/80/74/868498074.db2.gz	FSRAHEPCFRSAEB-CRAIPNDOSA-N	1	0	357.429	1.921	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(OCC#N)cc2)[C@H](C)C1	ZINC001106115399	868523663	/nfs/dbraw/zinc/52/36/63/868523663.db2.gz	VDSRFNAYSJDBNR-IEBWSBKVSA-N	1	0	369.465	1.813	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1[N@H+](CCN1CCCC1=O)CC2	ZINC000992242724	868561197	/nfs/dbraw/zinc/56/11/97/868561197.db2.gz	SHJBOXFPGFYONN-NHAYFPRASA-N	1	0	361.486	1.313	20	30		FDEDRO
C=CCCOCCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106123434	868888917	/nfs/dbraw/zinc/88/89/17/868888917.db2.gz	TXFLLVVQBKTAIU-IAGOWNOFSA-N	1	0	364.490	1.073	20	30		FDEDRO
C=CCCOCCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC)[C@H](C)C1	ZINC001106123699	868897429	/nfs/dbraw/zinc/89/74/29/868897429.db2.gz	YHXDVQLMPRCYBK-QZTJIDSGSA-N	1	0	367.534	1.912	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC(NC(=O)C(C)(C)[NH+]2CCCC2)C1	ZINC000992425164	869336977	/nfs/dbraw/zinc/33/69/77/869336977.db2.gz	UVFWUVLWVSRZDE-BACDZXNISA-N	1	0	363.502	1.463	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+]CCCN3CCC[C@H]3C(N)=O)CC2)cc1	ZINC000271871442	869354428	/nfs/dbraw/zinc/35/44/28/869354428.db2.gz	MTWYKRDULUXZMD-FQEVSTJZSA-N	1	0	369.513	1.452	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@H](C)O)C[C@H]2CC1	ZINC000946813616	882331743	/nfs/dbraw/zinc/33/17/43/882331743.db2.gz	YOGVUXVEIPCVRS-OYSTVDSJSA-N	1	0	350.503	1.909	20	30		FDEDRO
C[NH+](C)[C@H]1CCCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C1	ZINC000152303714	870448562	/nfs/dbraw/zinc/44/85/62/870448562.db2.gz	GMIVYKMLAWJATO-KRWDZBQOSA-N	1	0	355.442	1.306	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(CF)cc2)C[C@@H]1O	ZINC001083853879	882410650	/nfs/dbraw/zinc/41/06/50/882410650.db2.gz	UEKVIIYHFFKCIU-RDGPPVDQSA-N	1	0	362.445	1.799	20	30		FDEDRO
N#Cc1cc(CS(=O)(=O)NCC2([NH+]3CCCC3)CCOCC2)cs1	ZINC000914069695	870594360	/nfs/dbraw/zinc/59/43/60/870594360.db2.gz	ZAAYMERAFJPGIS-UHFFFAOYSA-N	1	0	369.512	1.684	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]2C)cn1	ZINC000994382763	882440635	/nfs/dbraw/zinc/44/06/35/882440635.db2.gz	AHAASSSZHLQLHK-LZLYRXPVSA-N	1	0	368.481	1.229	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccncc2C)C[C@H]1C	ZINC001106139060	870778878	/nfs/dbraw/zinc/77/88/78/870778878.db2.gz	KMEAIUPRLVWJPF-SOLBZPMBSA-N	1	0	358.486	1.307	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000914123246	870927740	/nfs/dbraw/zinc/92/77/40/870927740.db2.gz	MHPIHFICXWTOGM-UHFFFAOYSA-N	1	0	364.490	1.783	20	30		FDEDRO
C=CCOCCN1C[C@@H](NC(=O)c2ccc(C)s2)[C@@H](n2ccnn2)C1	ZINC001128634069	882462471	/nfs/dbraw/zinc/46/24/71/882462471.db2.gz	XPFUOMDJKDOEHV-CABCVRRESA-N	1	0	361.471	1.506	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[C@@H]2CCCCO2)C[C@H]1C	ZINC001106143005	871290965	/nfs/dbraw/zinc/29/09/65/871290965.db2.gz	JLDRBAQTPRSMEH-KURKYZTESA-N	1	0	350.503	1.916	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@]3(C)C2)cc1	ZINC000992692720	871340981	/nfs/dbraw/zinc/34/09/81/871340981.db2.gz	ZUKYNEZIZDWGKA-KNKQGSTJSA-N	1	0	365.477	1.683	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC)[C@H](C)C1	ZINC001106146489	871401693	/nfs/dbraw/zinc/40/16/93/871401693.db2.gz	DRQPXHPNCQKIDF-VQHPVUNQSA-N	1	0	351.491	1.130	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2(C)CC2)C[C@H]1C[NH2+]CC(=O)NCC#Cc1ccccc1	ZINC001106156814	871462972	/nfs/dbraw/zinc/46/29/72/871462972.db2.gz	QNOAHIMPOVPPIH-IEBWSBKVSA-N	1	0	367.493	1.639	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Oc2cccc(F)c2)C[C@H]1C	ZINC001106161667	871506340	/nfs/dbraw/zinc/50/63/40/871506340.db2.gz	ZZOBLTRBUIEUFL-IXDOHACOSA-N	1	0	362.445	1.927	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2Cc3ccccc3O2)C[C@H]1C	ZINC001106167204	871524069	/nfs/dbraw/zinc/52/40/69/871524069.db2.gz	QIIZZGKYDTXAAB-QRQLOZEOSA-N	1	0	356.466	1.714	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(CC)ccn2)C[C@H]1C	ZINC001106167334	871525138	/nfs/dbraw/zinc/52/51/38/871525138.db2.gz	WMNWNAHSMUJKML-HLLBOEOZSA-N	1	0	358.486	1.632	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2nsc3ccccc32)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106171428	871547811	/nfs/dbraw/zinc/54/78/11/871547811.db2.gz	YHNBYBHINCEHEC-CHWSQXEVSA-N	1	0	371.466	1.234	20	30		FDEDRO
C#CC[C@@H](CO)NC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1	ZINC000914255750	872072833	/nfs/dbraw/zinc/07/28/33/872072833.db2.gz	VKLLLAOAZQPCNI-FQEVSTJZSA-N	1	0	372.513	1.268	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCC[C@H]2CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1	ZINC001002974234	872086469	/nfs/dbraw/zinc/08/64/69/872086469.db2.gz	NBEMGJDOGCQTOU-AYOQOUSVSA-N	1	0	368.481	1.466	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1OC	ZINC001212487211	872148183	/nfs/dbraw/zinc/14/81/83/872148183.db2.gz	WORAYNRFXCBBOX-QZTJIDSGSA-N	1	0	358.486	1.604	20	30		FDEDRO
C[C@H]1CN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)C[C@H](C)N1CC#N	ZINC000922130531	872288803	/nfs/dbraw/zinc/28/88/03/872288803.db2.gz	CMGOLBMVLAFBKX-IRXDYDNUSA-N	1	0	357.502	1.918	20	30		FDEDRO
C[N@H+](CCNC(=O)C1(c2ccc(C#N)cc2)CCCC1)CCOCCO	ZINC000922131683	872295887	/nfs/dbraw/zinc/29/58/87/872295887.db2.gz	PQRZAOWPIASRGX-UHFFFAOYSA-N	1	0	359.470	1.427	20	30		FDEDRO
C#CCN(C(=O)NCc1cccc(N2CCOC2=O)c1)C1CC[NH+](C)CC1	ZINC000914317991	872348465	/nfs/dbraw/zinc/34/84/65/872348465.db2.gz	NBAKHPBTWQZKLH-UHFFFAOYSA-N	1	0	370.453	1.882	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]2C)cc1	ZINC000994403886	882612144	/nfs/dbraw/zinc/61/21/44/882612144.db2.gz	AAVQHQQLZVIFOD-YSGRDPCXSA-N	1	0	367.493	1.832	20	30		FDEDRO
C#CCN(C(=O)NCc1ccc(S(C)(=O)=O)s1)C1CC[NH+](C)CC1	ZINC000922143590	872434082	/nfs/dbraw/zinc/43/40/82/872434082.db2.gz	YKNOFSDOUCZRNT-UHFFFAOYSA-N	1	0	369.512	1.391	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCc2cnn(CC)c2)C1	ZINC001033493394	882621775	/nfs/dbraw/zinc/62/17/75/882621775.db2.gz	DKYTWMGUSSATGY-FHWLQOOXSA-N	1	0	360.502	1.959	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCC(=O)N(CC)Cc2ccccc2)CC1	ZINC000914367189	872535727	/nfs/dbraw/zinc/53/57/27/872535727.db2.gz	IDPOLRCZAYVSDV-UHFFFAOYSA-N	1	0	356.470	1.432	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)COCCOc2ccccc2)[C@H](OC)C1	ZINC001212504351	872823695	/nfs/dbraw/zinc/82/36/95/872823695.db2.gz	KPJMWPQCZUZJSR-RTBURBONSA-N	1	0	362.470	1.864	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCOCC2)[C@H](C)C1	ZINC001106181060	873017179	/nfs/dbraw/zinc/01/71/79/873017179.db2.gz	FVPMDENGKNZFKV-HZPDHXFCSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C[NH2+]Cc2cc(=O)n3[n-]ccc3n2)[C@H](C)C1	ZINC001106183757	873079086	/nfs/dbraw/zinc/07/90/86/873079086.db2.gz	MQJWAHCVDSOTHZ-HUUCEWRRSA-N	1	0	371.485	1.809	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]3(C)C2)CC[N@@H+]1C	ZINC000992890250	873087747	/nfs/dbraw/zinc/08/77/47/873087747.db2.gz	MZUJVKCUGJFBJP-LXGFNABISA-N	1	0	357.498	1.437	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1)[NH+]1CCCCCC1	ZINC000992898964	873141610	/nfs/dbraw/zinc/14/16/10/873141610.db2.gz	NKNPUNRPKHDNFE-ZWCUEREDSA-N	1	0	371.525	1.971	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CCCC2)CC1	ZINC001003364761	873182305	/nfs/dbraw/zinc/18/23/05/873182305.db2.gz	CZNODGDGJHFRBV-QRVBRYPASA-N	1	0	357.498	1.770	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@]2(C)CCOC2)CC1	ZINC001003365243	873208827	/nfs/dbraw/zinc/20/88/27/873208827.db2.gz	JOLDUXBAYUBVIJ-DCXXXQMHSA-N	1	0	373.497	1.006	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](C[NH2+]Cc2cnn(CC)n2)[C@H](C)C1)OCC	ZINC001106197465	873477759	/nfs/dbraw/zinc/47/77/59/873477759.db2.gz	YNQNTCFRKXXZJW-JFIYKMOQSA-N	1	0	363.506	1.853	20	30		FDEDRO
C#CCN(C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)C1CC[NH+](C)CC1	ZINC000922183655	873533472	/nfs/dbraw/zinc/53/34/72/873533472.db2.gz	VEORAKBBDBLIDC-AWEZNQCLSA-N	1	0	352.479	1.639	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CN(CC#Cc3ccccc3)C[C@@H]2O)C1	ZINC001083719485	873546551	/nfs/dbraw/zinc/54/65/51/873546551.db2.gz	FZURDEMBYHUEBO-HBMCJLEFSA-N	1	0	369.509	1.321	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1	ZINC000922193609	873643816	/nfs/dbraw/zinc/64/38/16/873643816.db2.gz	KUQUTWBTBSTGCX-UHFFFAOYSA-N	1	0	355.482	1.424	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1C	ZINC001106200000	873649360	/nfs/dbraw/zinc/64/93/60/873649360.db2.gz	DUCDAJLVDJGWHW-KGYLQXTDSA-N	1	0	358.280	1.057	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@]2(C)C1	ZINC000993014526	873681856	/nfs/dbraw/zinc/68/18/56/873681856.db2.gz	GKJOVWOLPLTURZ-KLHJMIIUSA-N	1	0	368.481	1.828	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](N(C)c3nccnc3C#N)C2)CC[N@@H+]1C	ZINC001061281036	873728835	/nfs/dbraw/zinc/72/88/35/873728835.db2.gz	MHTCXPRZQLGCEL-HLLBOEOZSA-N	1	0	356.474	1.506	20	30		FDEDRO
C[NH+](C)C1(C(=O)N2C[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@]3(C)C2)CCC1	ZINC000993033126	873794926	/nfs/dbraw/zinc/79/49/26/873794926.db2.gz	QTBONAWJGAMOIQ-KUHUBIRLSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)n2nnnc2C(C)(C)C)C[C@H]1C	ZINC001106229381	874005680	/nfs/dbraw/zinc/00/56/80/874005680.db2.gz	UMIIDTOHZZAVPL-MRVWCRGKSA-N	1	0	368.913	1.968	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3nnnn3C3CC3)[C@H](C)C2)CCC1	ZINC001106236145	874061684	/nfs/dbraw/zinc/06/16/84/874061684.db2.gz	BNESAOILMAVTCU-HUUCEWRRSA-N	1	0	356.474	1.386	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]CCOCC3CC3)[C@H](C)C2)CCOCC1	ZINC001106236341	874063375	/nfs/dbraw/zinc/06/33/75/874063375.db2.gz	LEWCZZUAXOCSLE-IEBWSBKVSA-N	1	0	362.514	1.917	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]CCNC(=O)NC(C)C)[C@H](C)C2)CCC1	ZINC001106237874	874066777	/nfs/dbraw/zinc/06/67/77/874066777.db2.gz	VVRPHYYVALQTDD-IAGOWNOFSA-N	1	0	362.518	1.572	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2conc2C(C)C)C[C@H]1C	ZINC001106242387	874074864	/nfs/dbraw/zinc/07/48/64/874074864.db2.gz	HVCZWWWNJYSZMO-RBSFLKMASA-N	1	0	360.458	1.234	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)C3(C)CC=CC3)C[C@@]2(C)C1	ZINC000993068058	874100131	/nfs/dbraw/zinc/10/01/31/874100131.db2.gz	KBDNTFZKQRMSBY-NPPFBWRTSA-N	1	0	369.509	1.747	20	30		FDEDRO
CC(C)c1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)cn1	ZINC001106248827	874118055	/nfs/dbraw/zinc/11/80/55/874118055.db2.gz	ZNXZZUAAOSPFDH-GDBMZVCRSA-N	1	0	357.458	1.142	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C(C)C)[C@H](C)C1	ZINC001106252629	874146002	/nfs/dbraw/zinc/14/60/02/874146002.db2.gz	PKHCLZIDBOKFEA-IAGOWNOFSA-N	1	0	360.502	1.839	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCN(C)c3ccccc32)C[C@H]1C	ZINC001106270232	874299517	/nfs/dbraw/zinc/29/95/17/874299517.db2.gz	ZQUDVLDXJQJISD-QWFCFKBJSA-N	1	0	369.509	1.944	20	30		FDEDRO
C[C@@H]1CC(N=Nc2ccc(S(=O)(=O)N3CCCCC3)cn2)C[N@@H+]1C	ZINC000761805447	874457997	/nfs/dbraw/zinc/45/79/97/874457997.db2.gz	QRVYZGUSWHSICP-CYBMUJFWSA-N	1	0	351.476	1.748	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1	ZINC000914679816	874481986	/nfs/dbraw/zinc/48/19/86/874481986.db2.gz	JOZOKDRJVNAZFF-AWEZNQCLSA-N	1	0	371.437	1.612	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1	ZINC000914679817	874482415	/nfs/dbraw/zinc/48/24/15/874482415.db2.gz	JOZOKDRJVNAZFF-CQSZACIVSA-N	1	0	371.437	1.612	20	30		FDEDRO
Cc1nc2cc(C(=O)N3C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C3)ccc2o1	ZINC001106297560	874594425	/nfs/dbraw/zinc/59/44/25/874594425.db2.gz	BXPZPLTYWUATIC-IUODEOHRSA-N	1	0	369.425	1.074	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc3cccn3cn2)C[C@H]1C	ZINC001106305725	874668284	/nfs/dbraw/zinc/66/82/84/874668284.db2.gz	HVAJSTLFSPGCDP-OWCLPIDISA-N	1	0	369.469	1.323	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)c2ccncc2)C[C@H]1C	ZINC001106308890	874736637	/nfs/dbraw/zinc/73/66/37/874736637.db2.gz	GIEOEDFFQBGBNQ-JFIYKMOQSA-N	1	0	356.470	1.009	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cn3c(n2)CC[C@H](C)C3)C[C@H]1C	ZINC001106314438	874753409	/nfs/dbraw/zinc/75/34/09/874753409.db2.gz	IZJKIXLILIXKCU-GVDBMIGSSA-N	1	0	358.486	1.413	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@H]1C	ZINC001106316369	874760591	/nfs/dbraw/zinc/76/05/91/874760591.db2.gz	RPIZBIGVUXTIHR-BXUZGUMPSA-N	1	0	360.907	1.248	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccnn2-c2ccccc2)C[C@H]1C	ZINC001106324416	874782122	/nfs/dbraw/zinc/78/21/22/874782122.db2.gz	OIOQEKOTEWKSLT-QZTJIDSGSA-N	1	0	366.465	1.820	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccncc2CC)C[C@H]1C	ZINC001106350764	874870813	/nfs/dbraw/zinc/87/08/13/874870813.db2.gz	RVWAGIKQZUEKEK-HLLBOEOZSA-N	1	0	358.486	1.632	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2cccnc2)C[C@H]1C	ZINC001106352348	874875349	/nfs/dbraw/zinc/87/53/49/874875349.db2.gz	ONBXXXAJTRXAIQ-BRWVUGGUSA-N	1	0	370.497	1.181	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnc3ccccc3c2O)C[C@H]1C	ZINC001106363194	874915389	/nfs/dbraw/zinc/91/53/89/874915389.db2.gz	AYYCPJMSPJDJLV-HZPDHXFCSA-N	1	0	367.449	1.476	20	30		FDEDRO
CC[S@](=O)CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000741419181	874930466	/nfs/dbraw/zinc/93/04/66/874930466.db2.gz	RIOOZGFDZKKSGE-DEOSSOPVSA-N	1	0	350.488	1.400	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(OCC(N)=O)cc2)C[C@H]1C	ZINC001106396158	875066851	/nfs/dbraw/zinc/06/68/51/875066851.db2.gz	CSUZJEDDKRYZQM-IUODEOHRSA-N	1	0	365.861	1.601	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2cncc(C)c2)C[C@H]1C	ZINC001106404878	875142788	/nfs/dbraw/zinc/14/27/88/875142788.db2.gz	AQCLKKNJSDYNHQ-SJLPKXTDSA-N	1	0	358.486	1.309	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ncc(Cl)s2)C[C@H]1C	ZINC001106420620	875208173	/nfs/dbraw/zinc/20/81/73/875208173.db2.gz	NNLXUDKTRXZHAA-GRYCIOLGSA-N	1	0	370.906	1.785	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CN(C(=O)[C@H](CC)[NH+](C)C)C[C@]3(C)C2)nc1	ZINC000993163086	875240292	/nfs/dbraw/zinc/24/02/92/875240292.db2.gz	OIECAIKJJYWDNX-MMOPVJDHSA-N	1	0	368.481	1.324	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(-c3ccn(C)n3)on1)C2	ZINC001112368928	875293007	/nfs/dbraw/zinc/29/30/07/875293007.db2.gz	BSQMKLQLYKJLBA-YWZLYKJASA-N	1	0	367.453	1.930	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3c2O[C@H](C)C3)C[C@H]1C	ZINC001106445090	875329672	/nfs/dbraw/zinc/32/96/72/875329672.db2.gz	VPXPPNGKTLNMML-BFYDXBDKSA-N	1	0	371.481	1.610	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCC2)[C@H](C)C1	ZINC001106486206	875639940	/nfs/dbraw/zinc/63/99/40/875639940.db2.gz	LYOSFNUJIJRLSP-HLIPFELVSA-N	1	0	365.518	1.522	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]CCOCCOC)[C@H](C)C1	ZINC001106486244	875640036	/nfs/dbraw/zinc/64/00/36/875640036.db2.gz	MPDCBRBBXPOMEN-LMMKCTJWSA-N	1	0	356.507	1.562	20	30		FDEDRO
COC[C@]1(C(=O)N2C[C@@H](C[NH2+]Cc3ccccc3C#N)[C@H](C)C2)CCOC1	ZINC001106488995	875657673	/nfs/dbraw/zinc/65/76/73/875657673.db2.gz	ZDLLHFCVKHTFQV-OZOXKJRCSA-N	1	0	371.481	1.795	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2cccc(C)c2)C[C@H]1C	ZINC001106489740	875660349	/nfs/dbraw/zinc/66/03/49/875660349.db2.gz	JHGIPCMYMUMCNO-IEBWSBKVSA-N	1	0	357.498	1.914	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2ccc(C)cc2C)C[C@H]1C	ZINC001106492639	875670277	/nfs/dbraw/zinc/67/02/77/875670277.db2.gz	BRARJAFZEXFOAG-UYAOXDASSA-N	1	0	369.509	1.670	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C(C)C)on2)C[C@H]1C	ZINC001106492231	875693431	/nfs/dbraw/zinc/69/34/31/875693431.db2.gz	KLBXZLHTQPIFPH-RBSFLKMASA-N	1	0	360.458	1.234	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(Cl)c(Cl)[nH]2)C[C@H]1C	ZINC001106498636	875735064	/nfs/dbraw/zinc/73/50/64/875735064.db2.gz	HZOVCINRGBRSNG-GHMZBOCLSA-N	1	0	371.268	1.369	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2coc(=O)c3ccccc23)C[C@H]1C	ZINC001106511172	875778918	/nfs/dbraw/zinc/77/89/18/875778918.db2.gz	BXRVMXYESQMCRA-HZPDHXFCSA-N	1	0	368.433	1.741	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCCCC3)[C@H](C)C2)cc1	ZINC001106511688	875789065	/nfs/dbraw/zinc/78/90/65/875789065.db2.gz	RYTRKVRSHNQBCA-YLJYHZDGSA-N	1	0	367.493	1.978	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)CC3CC3)[C@H](C)C2)cc1	ZINC001106511812	875790979	/nfs/dbraw/zinc/79/09/79/875790979.db2.gz	ZTNCJJZPBNHIBD-OXQOHEQNSA-N	1	0	367.493	1.834	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1C	ZINC001106524270	875851694	/nfs/dbraw/zinc/85/16/94/875851694.db2.gz	FLEXHOJFFMNYFH-MWLCHTKSSA-N	1	0	357.252	1.332	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[C@@H]3C)C[C@H]2C)c1	ZINC001106537475	875885107	/nfs/dbraw/zinc/88/51/07/875885107.db2.gz	VJCBJNDXRPYBHW-MGTHKWJCSA-N	1	0	353.466	1.947	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@]2(C)C=CCC2)C[C@H]1C	ZINC001106538778	875904180	/nfs/dbraw/zinc/90/41/80/875904180.db2.gz	VLFQVDXSKSKEQO-MBOZVWFJSA-N	1	0	360.502	1.789	20	30		FDEDRO
CC(C)[C@H](C(=O)N1C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@]2(C)C1)[NH+](C)C	ZINC000993196429	875931452	/nfs/dbraw/zinc/93/14/52/875931452.db2.gz	LDASGOZBSVIZSN-ZTQAJYAQSA-N	1	0	371.485	1.393	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2nncs2)[C@H](C)C1	ZINC001106563700	875962952	/nfs/dbraw/zinc/96/29/52/875962952.db2.gz	IREIMJOXJRKTAD-MGPQQGTHSA-N	1	0	365.503	1.763	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+][C@H](C)c2nnnn2C2CC2)[C@H](C)C1	ZINC001106559171	875966485	/nfs/dbraw/zinc/96/64/85/875966485.db2.gz	HNGXRZOJTJCPJT-BZUAXINKSA-N	1	0	358.490	1.947	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2nnnn2C2CC2)[C@H](C)C1	ZINC001106559172	875966628	/nfs/dbraw/zinc/96/66/28/875966628.db2.gz	HNGXRZOJTJCPJT-OWCLPIDISA-N	1	0	358.490	1.947	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)[C@@H](C)CO3)C[C@H]1C	ZINC001106566247	875972897	/nfs/dbraw/zinc/97/28/97/875972897.db2.gz	BHUMRKCZKZYYSC-HLLBOEOZSA-N	1	0	371.481	1.782	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cnccn2)[C@H](C)C1	ZINC001106567277	875976314	/nfs/dbraw/zinc/97/63/14/875976314.db2.gz	BXACASZFSHYFDD-BZUAXINKSA-N	1	0	359.474	1.702	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1C	ZINC001106571443	875986165	/nfs/dbraw/zinc/98/61/65/875986165.db2.gz	BADNPYWTGIGCGV-NVXWUHKLSA-N	1	0	360.458	1.102	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H](NC(=O)c3cc[nH]c3C3CC3)[C@@H](O)C2)cc1	ZINC001083732346	876022615	/nfs/dbraw/zinc/02/26/15/876022615.db2.gz	QHVUJYRBJBSKRO-MSOLQXFVSA-N	1	0	350.422	1.739	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3cnn(C)c3C2)C[C@H]1C	ZINC001106585244	876044035	/nfs/dbraw/zinc/04/40/35/876044035.db2.gz	WBLBLBHNARHHMB-SOLBZPMBSA-N	1	0	360.502	1.412	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc(F)c2F)C[C@H]1C	ZINC001106598254	876102672	/nfs/dbraw/zinc/10/26/72/876102672.db2.gz	YLHZWCQLBXALRN-HZSPNIEDSA-N	1	0	363.408	1.400	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(F)c(C)c2)C[C@H]1C	ZINC001106612123	876197375	/nfs/dbraw/zinc/19/73/75/876197375.db2.gz	LZYFINSEVRGMSI-HLLBOEOZSA-N	1	0	359.445	1.570	20	30		FDEDRO
c1ccc(C[NH+]2CCC(N=Nc3nccc(N4CCOCC4)n3)CC2)nc1	ZINC000762601825	876225786	/nfs/dbraw/zinc/22/57/86/876225786.db2.gz	BECCTPFMTNHMGY-UHFFFAOYSA-N	1	0	367.457	1.772	20	30		FDEDRO
N#Cc1cc(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC[C@@H]3CCOC3)C2)c[nH]1	ZINC001099240635	876239920	/nfs/dbraw/zinc/23/99/20/876239920.db2.gz	OOQBOAIGLFPGHH-KCPJHIHWSA-N	1	0	370.375	1.905	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]C[C@H](O)COCCOC)[C@H](C)C2)C1	ZINC001106648832	876370317	/nfs/dbraw/zinc/37/03/17/876370317.db2.gz	SGLXEKUCOYHETJ-ZACQAIPSSA-N	1	0	354.491	1.051	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)NC3CC3)[C@H](C)C2)c1	ZINC001106650316	876387017	/nfs/dbraw/zinc/38/70/17/876387017.db2.gz	JEAFEMJMMHDWBB-CKEIUWERSA-N	1	0	354.454	1.028	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)NCCC)[C@H](C)C2)c1	ZINC001106650425	876388023	/nfs/dbraw/zinc/38/80/23/876388023.db2.gz	NDIXIPKPKLFCBK-RVKKMQEKSA-N	1	0	356.470	1.275	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2c3n(c(=O)n2C)CCCC3)C[C@H]1C	ZINC001106666998	876482102	/nfs/dbraw/zinc/48/21/02/876482102.db2.gz	DBMJSHVCTCJIRI-HZPDHXFCSA-N	1	0	360.502	1.787	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3cc[nH]c3c2)C[C@H]1C	ZINC001106703189	876624503	/nfs/dbraw/zinc/62/45/03/876624503.db2.gz	DVQKOBPPJHKMNA-RHSMWYFYSA-N	1	0	352.438	1.215	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NCC)[C@H](C)C1	ZINC001106708592	876916772	/nfs/dbraw/zinc/91/67/72/876916772.db2.gz	ANBUMEWMYZUYBP-QLFBSQMISA-N	1	0	366.506	1.507	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(S(C)(=O)=O)o2)C[C@H]1C	ZINC001106718587	876948345	/nfs/dbraw/zinc/94/83/45/876948345.db2.gz	OMSVPCUMNKTWDI-ZIAGYGMSSA-N	1	0	370.471	1.183	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2cn(C)nc2Br)CC1	ZINC000917136374	883105869	/nfs/dbraw/zinc/10/58/69/883105869.db2.gz	BUMXLZNCUYZTMH-UHFFFAOYSA-N	1	0	356.268	1.632	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+]([C@H]2CCN(C(C)C)C2=O)CC1	ZINC001003788811	877221182	/nfs/dbraw/zinc/22/11/82/877221182.db2.gz	POVYOTBRKCGZMM-BZSNNMDCSA-N	1	0	363.502	1.558	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2cc(C)no2)[C@H](C)C1	ZINC001106733373	877268474	/nfs/dbraw/zinc/26/84/74/877268474.db2.gz	UJPMVXIRTPCSJW-MZMPZRCHSA-N	1	0	362.474	1.638	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2nccn2C)[C@H](C)C1	ZINC001106733413	877270403	/nfs/dbraw/zinc/27/04/03/877270403.db2.gz	VLSYJSSBEJASHB-OIISXLGYSA-N	1	0	361.490	1.075	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2nonc2C)[C@H](C)C1	ZINC001106733567	877272362	/nfs/dbraw/zinc/27/23/62/877272362.db2.gz	ZZCBINCXRNGOPP-WQVCFCJDSA-N	1	0	363.462	1.033	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]CCOCCCC)[C@H](C)C1	ZINC001106733998	877287562	/nfs/dbraw/zinc/28/75/62/877287562.db2.gz	MAIHVKDOWLBDTD-BHIYHBOVSA-N	1	0	367.534	1.958	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]CCCOCC)[C@H](C)C1	ZINC001106734024	877287980	/nfs/dbraw/zinc/28/79/80/877287980.db2.gz	MRISQADCOJJNTF-KBAYOESNSA-N	1	0	353.507	1.568	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C3)cn1	ZINC001003863164	877383742	/nfs/dbraw/zinc/38/37/42/877383742.db2.gz	RSKFHZUWGUOTEO-AKHDSKFASA-N	1	0	366.465	1.409	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@]2(C)C1	ZINC000993353525	877490113	/nfs/dbraw/zinc/49/01/13/877490113.db2.gz	PJYYKSHEDZJFQG-GQIGUUNPSA-N	1	0	360.502	1.717	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C[C@H]1C	ZINC001106753771	877561674	/nfs/dbraw/zinc/56/16/74/877561674.db2.gz	ONNGXUKPFZZJRS-NCXUSEDFSA-N	1	0	360.502	1.939	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2sc(CC)nc2C)C[C@H]1C	ZINC001106755800	877569788	/nfs/dbraw/zinc/56/97/88/877569788.db2.gz	AJQASAACYPWTGH-TZMCWYRMSA-N	1	0	362.499	1.061	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCCC2)C[C@H]1C	ZINC001106756343	877575749	/nfs/dbraw/zinc/57/57/49/877575749.db2.gz	VLAXDCGHIXBQPM-HZPDHXFCSA-N	1	0	356.532	1.994	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cn3nc(C)cc3[nH]c2=O)C[C@H]1C	ZINC001106763314	877619726	/nfs/dbraw/zinc/61/97/26/877619726.db2.gz	BHONTEPGXAQNNJ-IJEWVQPXSA-N	1	0	371.485	1.983	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@@]3(C)C2)CC1	ZINC000993374742	877654344	/nfs/dbraw/zinc/65/43/44/877654344.db2.gz	NEJNWVXFFRZZIY-BBTUJRGHSA-N	1	0	359.514	1.991	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(OC)c2F)C[C@H]1C	ZINC001106790604	877935723	/nfs/dbraw/zinc/93/57/23/877935723.db2.gz	HUFHJUMIROOPJH-ZIAGYGMSSA-N	1	0	363.433	1.434	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)CC1	ZINC000922379014	877964609	/nfs/dbraw/zinc/96/46/09/877964609.db2.gz	YHSDUJZWQQBRLR-GOSISDBHSA-N	1	0	369.469	1.690	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3[nH]c(C)nc3c2)C[C@H]1C	ZINC001106804355	878050944	/nfs/dbraw/zinc/05/09/44/878050944.db2.gz	NOJPQZDNYKOSIF-RHSMWYFYSA-N	1	0	354.454	1.819	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(CC)CCOCC2)C[C@H]1C	ZINC001106808517	878101689	/nfs/dbraw/zinc/10/16/89/878101689.db2.gz	RBZVZGDCRQYWKJ-BRWVUGGUSA-N	1	0	363.502	1.015	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@]3(C)C2)C1	ZINC000993443939	878230053	/nfs/dbraw/zinc/23/00/53/878230053.db2.gz	XRSSZVJZZIVAAR-QEEYODRMSA-N	1	0	369.469	1.149	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(-c4nc[nH]n4)c3)[C@H]2C1	ZINC001083161211	912348336	/nfs/dbraw/zinc/34/83/36/912348336.db2.gz	QHUSCMACONBBNY-DLBZAZTESA-N	1	0	351.410	1.020	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2CC(=O)N(c3ccccc3F)C2)CC1	ZINC000922561968	878538899	/nfs/dbraw/zinc/53/88/99/878538899.db2.gz	SYUKBSVZIGENSR-HNNXBMFYSA-N	1	0	358.417	1.328	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(OC)cc2F)C[C@H]1C	ZINC001106825178	878613627	/nfs/dbraw/zinc/61/36/27/878613627.db2.gz	DKILDQDVWBUIBR-NVXWUHKLSA-N	1	0	362.445	1.711	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCc2cnn(CC)c2)C1	ZINC001033086450	878821195	/nfs/dbraw/zinc/82/11/95/878821195.db2.gz	IKVSDXBNDVFNQP-QRVBRYPASA-N	1	0	360.502	1.959	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCn2nc(C)nc2C)C1	ZINC001033086295	878821807	/nfs/dbraw/zinc/82/18/07/878821807.db2.gz	GJJCENPZQSCOQS-KSZLIROESA-N	1	0	361.490	1.409	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O	ZINC000922731097	879132282	/nfs/dbraw/zinc/13/22/82/879132282.db2.gz	LGLSFNARKFIUJL-FEFVAOQBSA-N	1	0	351.491	1.499	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2scc3c2OCCO3)C[C@H]1C	ZINC001106828708	879230202	/nfs/dbraw/zinc/23/02/02/879230202.db2.gz	FRFHLEBZWWHXHN-ZIAGYGMSSA-N	1	0	364.467	1.467	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)c2ccn3c[nH+]cc3c2)C1	ZINC001004521156	879780357	/nfs/dbraw/zinc/78/03/57/879780357.db2.gz	KKZDTHQNMMGLHJ-SJORKVTESA-N	1	0	354.410	1.114	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1	ZINC001004540723	879828458	/nfs/dbraw/zinc/82/84/58/879828458.db2.gz	IXWCQZVIDNHPJZ-KURKYZTESA-N	1	0	363.502	1.273	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)c2cccc(C[NH+](C)C)c2)C1	ZINC000993841382	879868523	/nfs/dbraw/zinc/86/85/23/879868523.db2.gz	LRBKSCKRNIXFRI-MSOLQXFVSA-N	1	0	357.454	1.280	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CC3=CCCCC3)C[C@@H]2O)cc1	ZINC001083842176	879880390	/nfs/dbraw/zinc/88/03/90/879880390.db2.gz	AFUYUQUXLVFBDC-UXHICEINSA-N	1	0	354.450	1.974	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](CNC(=O)[C@H]3CN(C)CCO3)[C@H](C)C2)CC1	ZINC000993872107	879926590	/nfs/dbraw/zinc/92/65/90/879926590.db2.gz	GKSCMXIZOGOJGP-KBAYOESNSA-N	1	0	363.502	1.274	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC000993907214	880102837	/nfs/dbraw/zinc/10/28/37/880102837.db2.gz	CRORGFFKTYJNNZ-ZIAGYGMSSA-N	1	0	357.458	1.195	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC000993908621	880114479	/nfs/dbraw/zinc/11/44/79/880114479.db2.gz	QLDKHEFFUPZLLW-QLFBSQMISA-N	1	0	357.458	1.195	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)C3CCN(CC(F)F)CC3)[C@H]2C1	ZINC001083176724	912543567	/nfs/dbraw/zinc/54/35/67/912543567.db2.gz	KYAPJMVKIIWOSA-JKSUJKDBSA-N	1	0	357.445	1.451	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC000994133791	880734233	/nfs/dbraw/zinc/73/42/33/880734233.db2.gz	AXNPYDRZWRLRAT-RKVPGOIHSA-N	1	0	371.485	1.585	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)C2C=CC=CC=C2)[C@H](C)C1	ZINC000994104359	880756207	/nfs/dbraw/zinc/75/62/07/880756207.db2.gz	PEOUFLSQFRNCMA-RLLQIKCJSA-N	1	0	367.493	1.593	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)C1	ZINC000994142532	880800837	/nfs/dbraw/zinc/80/08/37/880800837.db2.gz	IFANGMVPRRNKFM-NZSAHSFTSA-N	1	0	359.514	1.588	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CNC(=O)c2cscn2)C[C@H]1C	ZINC001106846036	881002772	/nfs/dbraw/zinc/00/27/72/881002772.db2.gz	QYCMESZWAYVIEM-RBSFLKMASA-N	1	0	364.515	1.912	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)cn1	ZINC000994216622	881054656	/nfs/dbraw/zinc/05/46/56/881054656.db2.gz	LNZCTZUVCLGLAT-CRAIPNDOSA-N	1	0	368.481	1.229	20	30		FDEDRO
CCCn1nc(C)c(C(=O)N2C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C2)c1C	ZINC001106848516	881082235	/nfs/dbraw/zinc/08/22/35/881082235.db2.gz	KEVVASCBJHYZIC-CRAIPNDOSA-N	1	0	360.502	1.857	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)NCCNc1ccc(C#N)cn1)c1ccccc1	ZINC000915887969	881217294	/nfs/dbraw/zinc/21/72/94/881217294.db2.gz	DSPHWOOALCCVCU-KRWDZBQOSA-N	1	0	352.442	1.967	20	30		FDEDRO
CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)C1CC([NH2+]Cc2cccc(C#N)c2)C1	ZINC000999416482	912703016	/nfs/dbraw/zinc/70/30/16/912703016.db2.gz	CSEIFAQLWHMXLA-VEZWFGLTSA-N	1	0	354.454	1.539	20	30		FDEDRO
C=CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1	ZINC001033951534	883569306	/nfs/dbraw/zinc/56/93/06/883569306.db2.gz	GEOHBKCBVWTZMT-KSZLIROESA-N	1	0	363.502	1.655	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cc(OC)ns2)C1	ZINC000999428394	912752359	/nfs/dbraw/zinc/75/23/59/912752359.db2.gz	QTAUGVUZCQOBAY-VHMBPLKRSA-N	1	0	351.472	1.822	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCCO2)[C@@H](n2ccnn2)C1	ZINC001128891450	883963761	/nfs/dbraw/zinc/96/37/61/883963761.db2.gz	BHMRRCBFTVITIX-FGTMMUONSA-N	1	0	361.490	1.935	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@]2(C)CCOC2)C3)CC1	ZINC001005527276	883965412	/nfs/dbraw/zinc/96/54/12/883965412.db2.gz	DFHSNEOZQXBVPS-WIRSXHRWSA-N	1	0	373.497	1.006	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)[C@@H]3C[C@H]3CCC)[C@H](C)C2)CC1	ZINC000994559948	884158083	/nfs/dbraw/zinc/15/80/83/884158083.db2.gz	BMOJYINGPOMMFV-VBSBHUPXSA-N	1	0	373.541	1.979	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C)C[C@@H]1n1ccnn1	ZINC001128939679	884186295	/nfs/dbraw/zinc/18/62/95/884186295.db2.gz	XVVSHBLAZTVESN-MOPGFXCFSA-N	1	0	351.454	1.932	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1CN(Cc2c(C)noc2CC)C[C@@H]1n1ccnn1	ZINC001128939108	884193600	/nfs/dbraw/zinc/19/36/00/884193600.db2.gz	GTBZXCRPYOVUJW-SJORKVTESA-N	1	0	370.457	1.482	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCCc2nc(C)no2)C1	ZINC001034405076	884323028	/nfs/dbraw/zinc/32/30/28/884323028.db2.gz	XXLDSQVQWDVBQX-BBWFWOEESA-N	1	0	362.474	1.872	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(c3snc(Cl)c3C#N)C2)CC[N@@H+]1C	ZINC001061757342	884471695	/nfs/dbraw/zinc/47/16/95/884471695.db2.gz	JGKCOHPNNCSCFW-IJLUTSLNSA-N	1	0	367.906	1.951	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@@H]1n1ccnn1	ZINC001128961695	884487348	/nfs/dbraw/zinc/48/73/48/884487348.db2.gz	GVVYZUMKLLMKME-ZIFCJYIRSA-N	1	0	359.474	1.447	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cccc(C#N)c3)CC2)C1	ZINC001034647398	884610955	/nfs/dbraw/zinc/61/09/55/884610955.db2.gz	OSXNEPWWYZGTLX-UTRMSSBJSA-N	1	0	368.481	1.990	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CCO[C@@H](C)CC(C)C)[C@@H](n2ccnn2)C1	ZINC001128984928	884694807	/nfs/dbraw/zinc/69/48/07/884694807.db2.gz	CTLQXNBDMSRICB-KSZLIROESA-N	1	0	361.490	1.484	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(C#N)c2)CC1	ZINC001034735448	884928116	/nfs/dbraw/zinc/92/81/16/884928116.db2.gz	HKAQGZSYSKLYML-CADBVGFASA-N	1	0	368.481	1.800	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCNC(=O)CC2)CC1	ZINC001034740345	884935873	/nfs/dbraw/zinc/93/58/73/884935873.db2.gz	KXTKFNXFRBXJRT-TXTZMMAHSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2ccnc2CC)[C@@H](n2ccnn2)C1	ZINC001129004562	884997003	/nfs/dbraw/zinc/99/70/03/884997003.db2.gz	UAPVNQFMBLJZCA-BBWFWOEESA-N	1	0	371.489	1.606	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[C@H]4C[C@H]4C2)C3)CC1	ZINC000999490975	912889406	/nfs/dbraw/zinc/88/94/06/912889406.db2.gz	COPLLLDVPJFAHK-JIFZMYKYSA-N	1	0	369.509	1.626	20	30		FDEDRO
C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C1	ZINC000918957451	885082395	/nfs/dbraw/zinc/08/23/95/885082395.db2.gz	VALDLUSJTDCODT-OAHLLOKOSA-N	1	0	357.863	1.289	20	30		FDEDRO
Cc1onc(CC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)c1C#N	ZINC000498524106	885147001	/nfs/dbraw/zinc/14/70/01/885147001.db2.gz	VBLSTWGENDVRPG-UHFFFAOYSA-N	1	0	367.453	1.726	20	30		FDEDRO
C=C1CCC(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1	ZINC000919072829	885269040	/nfs/dbraw/zinc/26/90/40/885269040.db2.gz	RRTOYIHZJCSBGN-SFHVURJKSA-N	1	0	350.507	1.439	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2CC)[C@@H](n2ccnn2)C1	ZINC001129089539	885715937	/nfs/dbraw/zinc/71/59/37/885715937.db2.gz	KFOWVDNMNSIBNV-LESCRADOSA-N	1	0	371.489	1.584	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)CCc2cncc(OC)c2)[C@@H](n2ccnn2)C1	ZINC001129098127	885730611	/nfs/dbraw/zinc/73/06/11/885730611.db2.gz	FLIBZVPKOZQSOS-MSOLQXFVSA-N	1	0	370.457	1.232	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N[C@H](C)CCC)[C@H](C)C2)nc1	ZINC001106894227	885738990	/nfs/dbraw/zinc/73/89/90/885738990.db2.gz	GNJIOZFPTPFMBY-JFIYKMOQSA-N	1	0	370.497	1.665	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]C[C@H](O)CC(F)(F)F)[C@H](C)C2)cn1	ZINC001106894410	885751371	/nfs/dbraw/zinc/75/13/71/885751371.db2.gz	KJMXQIAAEPOHPR-XNRPHZJLSA-N	1	0	369.387	1.674	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC[N@@H+]([C@@H](C)C(=O)N(C)C)C2)CC1	ZINC001035230679	885818145	/nfs/dbraw/zinc/81/81/45/885818145.db2.gz	PQQSDAYYCUQXFS-BBWFWOEESA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC[N@@H+]([C@@H]3CCCNC3=O)C2)CC1	ZINC001035230593	885818337	/nfs/dbraw/zinc/81/83/37/885818337.db2.gz	NTQGUOKXSGIOEQ-ZACQAIPSSA-N	1	0	361.486	1.171	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1n1ccnn1	ZINC001129127969	885822117	/nfs/dbraw/zinc/82/21/17/885822117.db2.gz	PFZVLMQCHSBMCF-ZIFCJYIRSA-N	1	0	361.490	1.649	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(OC)ccn2)[C@@H](n2ccnn2)C1	ZINC001129144740	885867604	/nfs/dbraw/zinc/86/76/04/885867604.db2.gz	RXOBVAJRNSZNAE-OLMNPRSZSA-N	1	0	370.457	1.692	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1n1ccnn1	ZINC001129148048	885880140	/nfs/dbraw/zinc/88/01/40/885880140.db2.gz	XCYDJCFQKXPWIJ-SJORKVTESA-N	1	0	371.489	1.198	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1n1ccnn1	ZINC001129184413	886079681	/nfs/dbraw/zinc/07/96/81/886079681.db2.gz	FEMLSODQNZOYQR-JQHSSLGASA-N	1	0	361.490	1.649	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCC2CCOCC2)CCO1	ZINC001035508943	886089282	/nfs/dbraw/zinc/08/92/82/886089282.db2.gz	AZUBJHOSEKXNOT-KURKYZTESA-N	1	0	352.475	1.211	20	30		FDEDRO
C=C(C)CN1CCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1	ZINC001035516890	886109788	/nfs/dbraw/zinc/10/97/88/886109788.db2.gz	LTWUBEQMUIZECU-AQNXPRMDSA-N	1	0	357.498	1.725	20	30		FDEDRO
C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCC3(CN(CC#N)C3)CC2)CC1	ZINC001035707384	886341034	/nfs/dbraw/zinc/34/10/34/886341034.db2.gz	HZKKSULMFHOHKB-MSOLQXFVSA-N	1	0	360.502	1.181	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)CC3CC3)[C@H](C)C2)nc1	ZINC001106898172	886382839	/nfs/dbraw/zinc/38/28/39/886382839.db2.gz	WWNIHDPGVLLWNR-CRAIPNDOSA-N	1	0	368.481	1.229	20	30		FDEDRO
CO[C@@H]1C[N@H+](C[C@@H](O)CCc2ccccc2)C[C@H]1NC(=O)C#CC1CC1	ZINC001212245979	886438611	/nfs/dbraw/zinc/43/86/11/886438611.db2.gz	IQFJRILXJSJTEG-XUVXKRRUSA-N	1	0	356.466	1.209	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](CC(=O)OC)c2ccc(OC)cc2)CC1	ZINC000919964633	886469479	/nfs/dbraw/zinc/46/94/79/886469479.db2.gz	VROXEBOCBUNRGS-GOSISDBHSA-N	1	0	358.438	1.761	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2n[nH]c(-c3ccc(OC)c(OC)c3)n2)CC1	ZINC000919965909	886473335	/nfs/dbraw/zinc/47/33/35/886473335.db2.gz	WNQFUUKONWKTGL-UHFFFAOYSA-N	1	0	369.425	1.773	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@@H]1n1ccnn1	ZINC001129209519	886568426	/nfs/dbraw/zinc/56/84/26/886568426.db2.gz	IGWVNCBNZPKRQZ-ZACQAIPSSA-N	1	0	361.490	1.791	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)CC1	ZINC000920117896	886646287	/nfs/dbraw/zinc/64/62/87/886646287.db2.gz	LKVYHYYSBWIWMF-MRXNPFEDSA-N	1	0	364.490	1.687	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H](CNC(=O)CC[NH+](C)C)CC1	ZINC001060741318	886672977	/nfs/dbraw/zinc/67/29/77/886672977.db2.gz	RAECHIUXUQHBJY-TVFCKZIOSA-N	1	0	365.518	1.711	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ccsc1C#N)C2	ZINC000920272947	886791846	/nfs/dbraw/zinc/79/18/46/886791846.db2.gz	ADAIJKXSIDDHNX-CZPYZCIJSA-N	1	0	369.512	1.378	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(C#N)s1)C2	ZINC000920275786	886804193	/nfs/dbraw/zinc/80/41/93/886804193.db2.gz	UNDJOIOBKAGPGL-RRCSTGOVSA-N	1	0	369.512	1.378	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ccccc1C#N)C2	ZINC000920282271	886819785	/nfs/dbraw/zinc/81/97/85/886819785.db2.gz	MBKMUBAZDNIFLU-JOCBIADPSA-N	1	0	363.483	1.316	20	30		FDEDRO
CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)CC(C)(C)CC#N)C2)[C@H]1C(C)C	ZINC000920302426	886841146	/nfs/dbraw/zinc/84/11/46/886841146.db2.gz	IPIWJJCQWGUQQF-YFHUEUNASA-N	1	0	371.547	1.715	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@@H](n2ccnn2)C1	ZINC001129258448	886944666	/nfs/dbraw/zinc/94/46/66/886944666.db2.gz	ZQPXWXLZSLMCQB-PMPSAXMXSA-N	1	0	368.913	1.493	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(c2ccc(C)c(NC(=O)CC[NH+](C)C)c2)C1=O	ZINC000804210181	886988383	/nfs/dbraw/zinc/98/83/83/886988383.db2.gz	GZRHDBROQRKFAA-MRXNPFEDSA-N	1	0	374.441	1.513	20	30		FDEDRO
C[NH+](C)CCn1ccc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)n1	ZINC000376155711	887258901	/nfs/dbraw/zinc/25/89/01/887258901.db2.gz	FNPHZVBNDFWCBP-HNNXBMFYSA-N	1	0	370.432	1.920	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2ccc(P(C)(C)=O)cc2)[C@@H](O)C1	ZINC001084081981	913158505	/nfs/dbraw/zinc/15/85/05/913158505.db2.gz	WNDZATKGDHQDDS-SJORKVTESA-N	1	0	350.399	1.676	20	30		FDEDRO
C[NH+]1CCC(n2ccc(NC(=O)N[C@@H]3COc4ccccc4C3)n2)CC1	ZINC000330233062	887594692	/nfs/dbraw/zinc/59/46/92/887594692.db2.gz	XSRBCPQMEUTIAT-HNNXBMFYSA-N	1	0	355.442	2.479	20	30		FDEDRO
N#Cc1cc(NC[C@H]2CCCC[N@H+]2CCO)nc2ccc([N+](=O)[O-])cc12	ZINC000450616418	887641276	/nfs/dbraw/zinc/64/12/76/887641276.db2.gz	PWLHWHWODQZJAK-OAHLLOKOSA-N	1	0	355.398	2.273	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)[C@H]2C1	ZINC000373301134	887658318	/nfs/dbraw/zinc/65/83/18/887658318.db2.gz	FOPJXWMMLRYSNB-YOEHRIQHSA-N	1	0	368.416	2.441	20	30		FDEDRO
N#Cc1ccc(NC2CCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)nc1	ZINC000373242982	887693732	/nfs/dbraw/zinc/69/37/32/887693732.db2.gz	MVQPMEXMSQJCBF-UHFFFAOYSA-N	1	0	353.470	2.231	20	30		FDEDRO
C#CCN(C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C(C)C	ZINC000921362203	887749425	/nfs/dbraw/zinc/74/94/25/887749425.db2.gz	DAZMNBKUAQGYRW-UHFFFAOYSA-N	1	0	350.507	1.666	20	30		FDEDRO
C=CCCC[C@@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)C(=O)OC	ZINC000921384598	887829838	/nfs/dbraw/zinc/82/98/38/887829838.db2.gz	SPHDBZPPVRXNGI-MRXNPFEDSA-N	1	0	354.472	1.924	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@H]1OC	ZINC001212255680	887843613	/nfs/dbraw/zinc/84/36/13/887843613.db2.gz	OTSKCAVNUHGNQD-ATZDWAIDSA-N	1	0	367.449	1.589	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CCN(C(=O)C2CC2)C[C@@H]1C)C1CC[NH+](C)CC1	ZINC000921423220	887934211	/nfs/dbraw/zinc/93/42/11/887934211.db2.gz	MRQDUHWBMVUVMF-YJBOKZPZSA-N	1	0	360.502	1.372	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@H](C(=O)OC(C)(C)C)C(C)C)CC1	ZINC000923121458	888060696	/nfs/dbraw/zinc/06/06/96/888060696.db2.gz	ZNPMENUVVBIBBS-INIZCTEOSA-N	1	0	351.491	1.997	20	30		FDEDRO
C[C@@H](CNC(=O)N1C[C@@H](C)N(CC#N)[C@@H](C)C1)N1C[C@@H](C)O[C@@H](C)C1	ZINC000923119150	888082900	/nfs/dbraw/zinc/08/29/00/888082900.db2.gz	ZGKGNQZVTGNWBV-ZOFXXKQRSA-N	1	0	351.495	1.112	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2N(C)C)C[C@H]1OC	ZINC001212260907	888110080	/nfs/dbraw/zinc/11/00/80/888110080.db2.gz	OILAUUXCIYRXQN-IEBWSBKVSA-N	1	0	359.470	1.108	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000923181709	888275660	/nfs/dbraw/zinc/27/56/60/888275660.db2.gz	AVIGENWLZPJMHC-QGZVFWFLSA-N	1	0	356.470	1.671	20	30		FDEDRO
C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1	ZINC000999770346	913257263	/nfs/dbraw/zinc/25/72/63/913257263.db2.gz	LFVIAXZBEDGYTF-KSZLIROESA-N	1	0	351.491	1.023	20	30		FDEDRO
CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)C1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC001006002887	888628694	/nfs/dbraw/zinc/62/86/94/888628694.db2.gz	CHJOPEXKVRCPGZ-MSOLQXFVSA-N	1	0	368.481	1.883	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+]([C@@H]2CCN(C(C)C)C2=O)CC1	ZINC001006023750	888759605	/nfs/dbraw/zinc/75/96/05/888759605.db2.gz	XYOOMLKCPCEISJ-KURKYZTESA-N	1	0	363.502	1.510	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC(N)=O)C1	ZINC000245411020	888816617	/nfs/dbraw/zinc/81/66/17/888816617.db2.gz	UQOOOGCKURAJCH-HOTGVXAUSA-N	1	0	372.469	1.918	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000938608825	888918995	/nfs/dbraw/zinc/91/89/95/888918995.db2.gz	CDZHNKVMHOYOKC-YQQAZPJKSA-N	1	0	357.458	1.290	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](N(C)C(=O)[C@]34C[C@H]3CCC4)C2)CC1	ZINC000938669508	889072169	/nfs/dbraw/zinc/07/21/69/889072169.db2.gz	MBKQTOVBDPQRSP-LVCYWYKZSA-N	1	0	357.498	1.581	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[C@H](c3nc(C4CC4)no3)O2)CC1	ZINC000923385856	889091729	/nfs/dbraw/zinc/09/17/29/889091729.db2.gz	FETYEXOLBCLCIY-JKSUJKDBSA-N	1	0	373.457	1.564	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1	ZINC000938716549	889144488	/nfs/dbraw/zinc/14/44/88/889144488.db2.gz	BNGAJUZEWPSWGG-KURKYZTESA-N	1	0	363.502	1.511	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)CN2C[C@@H](OC)C[C@@]2(C)C[NH3+])c(OC)c1	ZINC000923413629	889188240	/nfs/dbraw/zinc/18/82/40/889188240.db2.gz	WOIOWFLGLUJIDM-UWVAXJGDSA-N	1	0	364.486	1.602	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccnn1C1CCOCC1)C2	ZINC001112543457	889236716	/nfs/dbraw/zinc/23/67/16/889236716.db2.gz	BJGICIUJACZXMN-JXFKEZNVSA-N	1	0	356.470	1.700	20	30		FDEDRO
C[NH+](C)CCNC(=O)C1CCN(C(=O)/C=C/c2ccccc2C#N)CC1	ZINC000068498052	889277641	/nfs/dbraw/zinc/27/76/41/889277641.db2.gz	WLSQHNITHALJOE-BQYQJAHWSA-N	1	0	354.454	1.488	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1	ZINC000946901898	889279186	/nfs/dbraw/zinc/27/91/86/889279186.db2.gz	CQAJYOUGLFYAGH-NXHRZFHOSA-N	1	0	363.502	1.417	20	30		FDEDRO
CCc1ccccc1[C@H]([NH3+])CNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N	ZINC000415848131	889399111	/nfs/dbraw/zinc/39/91/11/889399111.db2.gz	UZKVTOYDXTVZNF-MRXNPFEDSA-N	1	0	368.441	1.653	20	30		FDEDRO
C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000246137111	889523998	/nfs/dbraw/zinc/52/39/98/889523998.db2.gz	ZJHOFWZMFZNYLV-KFWWJZLASA-N	1	0	360.462	1.218	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)N(CC)c2nc(C)cc(C#N)n2)CC[N@@H+]1C	ZINC001089759181	889527076	/nfs/dbraw/zinc/52/70/76/889527076.db2.gz	XWRBRJJFEFZELB-HYVNUMGLSA-N	1	0	358.490	1.718	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)Nc1ccccc1F	ZINC001127608620	889722096	/nfs/dbraw/zinc/72/20/96/889722096.db2.gz	BGZMOFNBMSOVLR-CPUCHLNUSA-N	1	0	363.433	1.840	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CCS(=O)(=O)c1ccccc1	ZINC001127608762	889726014	/nfs/dbraw/zinc/72/60/14/889726014.db2.gz	FYUAVMHUWXDSGH-SJORKVTESA-N	1	0	366.483	1.147	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCc1ccc(C)s1	ZINC001127608905	889733650	/nfs/dbraw/zinc/73/36/50/889733650.db2.gz	IWPWNPUWOUBMNE-CVEARBPZSA-N	1	0	365.499	1.360	20	30		FDEDRO
C[C@H]([NH3+])C(=O)N1[C@H](c2nc(-c3ccc(C#N)cn3)no2)CSC1(C)C	ZINC001212289940	889744938	/nfs/dbraw/zinc/74/49/38/889744938.db2.gz	BSPZMXMZXILYKX-CABZTGNLSA-N	1	0	358.427	1.703	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CCOCCOc1ccccc1	ZINC001127612717	889903277	/nfs/dbraw/zinc/90/32/77/889903277.db2.gz	AYASDBQYKKEFIT-MOPGFXCFSA-N	1	0	362.470	1.769	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)C1	ZINC000923590424	889997741	/nfs/dbraw/zinc/99/77/41/889997741.db2.gz	WIBULJOHZMNKET-HNNXBMFYSA-N	1	0	351.454	1.982	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1	ZINC000939120745	890020056	/nfs/dbraw/zinc/02/00/56/890020056.db2.gz	OFJVPVXAQKGRKG-AHRSYUTCSA-N	1	0	367.493	1.658	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1CN(CC(=O)N2CCCC[C@@H]2C)C[C@H]1OC	ZINC001212325224	890149449	/nfs/dbraw/zinc/14/94/49/890149449.db2.gz	SCOYTBNWXDFZBE-GVDBMIGSSA-N	1	0	365.518	1.805	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H](CCNc3cncc(C#N)n3)C2)CC[N@@H+]1C	ZINC001063302257	890429408	/nfs/dbraw/zinc/42/94/08/890429408.db2.gz	SCYLEOFLPJTARX-BFYDXBDKSA-N	1	0	356.474	1.729	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC([C@H](C)NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)c1	ZINC001006181518	890546211	/nfs/dbraw/zinc/54/62/11/890546211.db2.gz	FICPRGSHBZKDHE-ZOCIIQOWSA-N	1	0	368.481	1.370	20	30		FDEDRO
C=CCCC1(C(=O)NC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)CC1	ZINC001065205668	913508480	/nfs/dbraw/zinc/50/84/80/913508480.db2.gz	GHXWVIPXCKSKAW-BRWVUGGUSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](Cc2c(C)nnn2CC)CC1	ZINC001001844322	891423911	/nfs/dbraw/zinc/42/39/11/891423911.db2.gz	MZFTWKYFRZEPNP-AEFFLSMTSA-N	1	0	361.490	1.526	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC(C)C2)C3)CC1	ZINC001001937832	891696859	/nfs/dbraw/zinc/69/68/59/891696859.db2.gz	UWXULPLMZIMGPK-XXXOSLHZSA-N	1	0	357.498	1.626	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCCCO2)C3)CC1	ZINC001002051225	891823827	/nfs/dbraw/zinc/82/38/27/891823827.db2.gz	CLQJNEBCOWTXSM-AKHDSKFASA-N	1	0	373.497	1.149	20	30		FDEDRO
C[C@H](CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(C#N)c1)C2)n1ccnc1	ZINC001002143596	891983815	/nfs/dbraw/zinc/98/38/15/891983815.db2.gz	URQVNTCOZIJORD-YYQUZTFQSA-N	1	0	366.425	1.596	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H](CC)[NH+](C)C)C1	ZINC001002150925	891995686	/nfs/dbraw/zinc/99/56/86/891995686.db2.gz	VZXNABYMQMTBOS-ULQDDVLXSA-N	1	0	351.491	1.273	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1)C1CC[NH+](C)CC1	ZINC000921860958	892133383	/nfs/dbraw/zinc/13/33/83/892133383.db2.gz	HNRHFJZMSRBPKY-HNNXBMFYSA-N	1	0	358.490	1.455	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1	ZINC001002219168	892247421	/nfs/dbraw/zinc/24/74/21/892247421.db2.gz	KUGPHFAXCIAZQB-IXDOHACOSA-N	1	0	351.491	1.128	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)cn1	ZINC000940310924	892258064	/nfs/dbraw/zinc/25/80/64/892258064.db2.gz	KUEBALRXXTYMOT-CRAIPNDOSA-N	1	0	368.481	1.372	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1coc(C3CC3)n1)C2	ZINC001112541376	892449693	/nfs/dbraw/zinc/44/96/93/892449693.db2.gz	UJEYEDAYWTXJRD-YWZLYKJASA-N	1	0	370.453	1.133	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NCCC)[C@H](C)C1	ZINC001106922806	892597532	/nfs/dbraw/zinc/59/75/32/892597532.db2.gz	NDPJZEIBOKTBLZ-MBOZVWFJSA-N	1	0	369.509	1.809	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c(C)cccc2C)C1	ZINC000940624201	892781878	/nfs/dbraw/zinc/78/18/78/892781878.db2.gz	FBEVINZLJJERAZ-QRVBRYPASA-N	1	0	367.493	1.978	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1	ZINC001002483527	893018784	/nfs/dbraw/zinc/01/87/84/893018784.db2.gz	FQENIXBMQOAIGD-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C(F)F)o2)C[C@H]1C	ZINC001106932236	893025335	/nfs/dbraw/zinc/02/53/35/893025335.db2.gz	VNWGXQYPSRMVRM-VXGBXAGGSA-N	1	0	355.385	1.817	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]CCOCCOC)[C@H](C)C2)CCOCC1	ZINC001106933222	893037574	/nfs/dbraw/zinc/03/75/74/893037574.db2.gz	IQMQHVMLYLWKGO-QZTJIDSGSA-N	1	0	368.518	1.706	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C3CC3)cn2)C[C@H]1C	ZINC001106935337	893137072	/nfs/dbraw/zinc/13/70/72/893137072.db2.gz	LVXLRZHHGQHSGF-RVKKMQEKSA-N	1	0	370.497	1.947	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCO[C@@H](c3ccco3)C2)CC1	ZINC000672356302	893175557	/nfs/dbraw/zinc/17/55/57/893175557.db2.gz	HZLCHTZNIVNYAF-QGZVFWFLSA-N	1	0	361.442	1.336	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[C@H]2CCCCO2)CC1	ZINC000672356948	893180293	/nfs/dbraw/zinc/18/02/93/893180293.db2.gz	QZASEZNUBCMMGJ-QGZVFWFLSA-N	1	0	365.518	1.855	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc3ccccc3oc2=O)C[C@H]1C	ZINC001106942306	893287221	/nfs/dbraw/zinc/28/72/21/893287221.db2.gz	DROLXROAFPVLCQ-NVXWUHKLSA-N	1	0	368.433	1.741	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C(C)(C)C1	ZINC000941028304	893695654	/nfs/dbraw/zinc/69/56/54/893695654.db2.gz	LHMQXSLDXYSAQX-OWCLPIDISA-N	1	0	351.491	1.415	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2CCN(Cc3cnc(C(F)(F)F)nc3)C[C@H]21	ZINC001084236698	913798716	/nfs/dbraw/zinc/79/87/16/913798716.db2.gz	OCQAGHLRJZGVDM-CYZMBNFOSA-N	1	0	353.348	1.688	20	30		FDEDRO
N#CCOc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1	ZINC001002782195	893937299	/nfs/dbraw/zinc/93/72/99/893937299.db2.gz	LHTASBISOLJYHF-IAGOWNOFSA-N	1	0	358.398	1.335	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3ccccc3o2)C[C@H]1C	ZINC001106950486	894007338	/nfs/dbraw/zinc/00/73/38/894007338.db2.gz	KQLQQJDIAQWYFU-GDBMZVCRSA-N	1	0	353.422	1.480	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@H]1C	ZINC001106963481	896104114	/nfs/dbraw/zinc/10/41/14/896104114.db2.gz	JRNJLYYGNKTARK-KZNAEPCWSA-N	1	0	369.509	1.786	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)CO[C@@H]4CCOC4)[C@@H]3C2)c1	ZINC001084339522	914086557	/nfs/dbraw/zinc/08/65/57/914086557.db2.gz	DBFZBQPNBRCKST-GUDVDZBRSA-N	1	0	355.438	1.396	20	30		FDEDRO
C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC2(CCOCC2)C1	ZINC001089947900	896816914	/nfs/dbraw/zinc/81/69/14/896816914.db2.gz	RERCSVAXVNPXBZ-ZSYWTGECSA-N	1	0	360.498	1.812	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@]2(CC)CCNC2=O)[C@H](OC)C1	ZINC001212427778	896896348	/nfs/dbraw/zinc/89/63/48/896896348.db2.gz	BBPGKLQITTUFQS-MDZRGWNJSA-N	1	0	351.491	1.465	20	30		FDEDRO
C#CC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@H]3OCC[C@H]3CC)C2)n1	ZINC001128107551	896967284	/nfs/dbraw/zinc/96/72/84/896967284.db2.gz	UCWUAGHEGNBEGU-SUMDDJOVSA-N	1	0	356.470	1.314	20	30		FDEDRO
O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@H]2CCN(CC#Cc3ccccc3)C[C@H]21	ZINC001084349288	914135604	/nfs/dbraw/zinc/13/56/04/914135604.db2.gz	GBLQIQXMSIHCRC-YPAWHYETSA-N	1	0	363.505	1.913	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)COc2ccccc2OC)C[C@H]1C	ZINC001106975486	897283536	/nfs/dbraw/zinc/28/35/36/897283536.db2.gz	TYZKIYSYQOZPGY-IAGOWNOFSA-N	1	0	362.470	1.961	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC2(CCOCC2)C1	ZINC001089959707	897327696	/nfs/dbraw/zinc/32/76/96/897327696.db2.gz	QUCVNXCPUBGZKS-IXDOHACOSA-N	1	0	363.502	1.451	20	30		FDEDRO
CC#CC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3C3CC3)C2)n1	ZINC001128126962	897390164	/nfs/dbraw/zinc/39/01/64/897390164.db2.gz	VCQKTVYCTGKEQE-CEXWTWQISA-N	1	0	352.482	1.936	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCCc3nc(C)no3)C[C@H]21	ZINC001084353261	914160741	/nfs/dbraw/zinc/16/07/41/914160741.db2.gz	ARDXEBDYSNIDLF-TVFCKZIOSA-N	1	0	374.485	1.825	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCc3ccc(OC)cc3)C[C@H]2O)nc1	ZINC001078032407	897675875	/nfs/dbraw/zinc/67/58/75/897675875.db2.gz	MLMXMJGPAYZJAT-WOJBJXKFSA-N	1	0	365.433	1.089	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](C[C@H](O)Cc2ccccc2)C1	ZINC001032047761	897776274	/nfs/dbraw/zinc/77/62/74/897776274.db2.gz	MEBYIUNMMMRANZ-AABGKKOBSA-N	1	0	358.482	1.619	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O	ZINC001078082839	897911625	/nfs/dbraw/zinc/91/16/25/897911625.db2.gz	WWGNARLSRZAUGE-NJDAHSKKSA-N	1	0	370.493	1.313	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1	ZINC000943270424	898643762	/nfs/dbraw/zinc/64/37/62/898643762.db2.gz	NPIZZOCCQFEFSW-LNLFQRSKSA-N	1	0	363.502	1.561	20	30		FDEDRO
C[C@@H]1CCO[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001078472503	898803743	/nfs/dbraw/zinc/80/37/43/898803743.db2.gz	YXXSRWFGGPKBCJ-MNEFBYGVSA-N	1	0	357.454	1.690	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccns2)C1	ZINC001078484352	898835439	/nfs/dbraw/zinc/83/54/39/898835439.db2.gz	HBFYAFIOYDYMTB-XIRDDKMYSA-N	1	0	365.499	1.831	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1	ZINC001078535149	898882238	/nfs/dbraw/zinc/88/22/38/898882238.db2.gz	BKCAVIFOXKGFBJ-JQHSSLGASA-N	1	0	365.518	1.709	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](OC)C1	ZINC000943591646	899051414	/nfs/dbraw/zinc/05/14/14/899051414.db2.gz	MOBTZUQYOXCKPE-BZUAXINKSA-N	1	0	351.491	1.273	20	30		FDEDRO
C#Cc1cncc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C3)c1	ZINC001001707385	899229448	/nfs/dbraw/zinc/22/94/48/899229448.db2.gz	VKDAYUYVFGCPLP-BDXSIMOUSA-N	1	0	352.438	1.019	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1	ZINC001061022362	899286962	/nfs/dbraw/zinc/28/69/62/899286962.db2.gz	JUDFHUQDDYPLOO-MDZRGWNJSA-N	1	0	363.502	1.105	20	30		FDEDRO
C=C[C@H](C(=O)N1C[C@@H](C[NH2+]CCn2cncn2)[C@H](C)C1)c1ccccc1	ZINC001107018170	899557724	/nfs/dbraw/zinc/55/77/24/899557724.db2.gz	HFRWREUXUKZFSQ-QRQLOZEOSA-N	1	0	353.470	1.932	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCO[C@H]3c3cnn(C)c3)[C@@H]2C1	ZINC001084418859	914386644	/nfs/dbraw/zinc/38/66/44/914386644.db2.gz	XHFCEGFEEIUALK-OWYHZJEWSA-N	1	0	356.470	1.444	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001084419374	914390426	/nfs/dbraw/zinc/39/04/26/914390426.db2.gz	OLBPYQCSSDOYII-PIKADFDJSA-N	1	0	355.438	1.395	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C[NH2+]CCOC(C)C)[C@H](C)C1	ZINC001107037205	900036667	/nfs/dbraw/zinc/03/66/67/900036667.db2.gz	WQXHGYCATRHNDS-HZPDHXFCSA-N	1	0	368.522	1.359	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C[NH2+]CCC[C@H](C)O)[C@H](C)C1	ZINC001107037202	900036809	/nfs/dbraw/zinc/03/68/09/900036809.db2.gz	WNUKRSHGVXGVBR-OWCLPIDISA-N	1	0	368.522	1.095	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3c3ncccn3)[C@@H]2C1	ZINC001084421309	914405213	/nfs/dbraw/zinc/40/52/13/914405213.db2.gz	IXLNCJOWGMODRD-KZNAEPCWSA-N	1	0	355.486	1.944	20	30		FDEDRO
CCOCCOCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1	ZINC001107044949	900092447	/nfs/dbraw/zinc/09/24/47/900092447.db2.gz	TUVAXUIFLSVXGB-HUUCEWRRSA-N	1	0	365.499	1.857	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C	ZINC000944300564	900098536	/nfs/dbraw/zinc/09/85/36/900098536.db2.gz	OXXYRMNHZHRBMG-QZWWFDLISA-N	1	0	351.491	1.415	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C)c3c2CCC3)C[C@H]1C	ZINC001107049805	900172451	/nfs/dbraw/zinc/17/24/51/900172451.db2.gz	BNHSGJAQBNBXSV-IAGOWNOFSA-N	1	0	367.493	1.531	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3c3ccnn3CC)[C@@H]2C1	ZINC001084423394	914422372	/nfs/dbraw/zinc/42/23/72/914422372.db2.gz	IQNISLBDAVBWNU-PSBWJHGTSA-N	1	0	356.470	1.537	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001107057272	900246292	/nfs/dbraw/zinc/24/62/92/900246292.db2.gz	UVZKBQGTSIRJFU-LFVTVUPYSA-N	1	0	372.444	1.253	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]Cc2nnc3n2CCCC3)[C@H](C)C1	ZINC001107059041	900308654	/nfs/dbraw/zinc/30/86/54/900308654.db2.gz	OCQDTTNLJSGSDH-HZPDHXFCSA-N	1	0	361.490	1.391	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3nnnn3C)[C@H](C)C2)CCCCC1	ZINC001107059126	900309893	/nfs/dbraw/zinc/30/98/93/900309893.db2.gz	TXAJUPRTYJRWQC-HZPDHXFCSA-N	1	0	358.490	1.368	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(CC)CC)[C@H](C)C1	ZINC001107062204	900442142	/nfs/dbraw/zinc/44/21/42/900442142.db2.gz	CMMKPUNBYRXZRX-IXDOHACOSA-N	1	0	367.534	1.957	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C(C)C)n2C)[C@H](C)C1	ZINC001107062202	900442442	/nfs/dbraw/zinc/44/24/42/900442442.db2.gz	CKYNOIVJRMJSRZ-OWCLPIDISA-N	1	0	363.506	1.714	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ncc(Cl)n2C)[C@H](C)C1	ZINC001107063062	900448294	/nfs/dbraw/zinc/44/82/94/900448294.db2.gz	APJRMISGIFYMHV-HZSPNIEDSA-N	1	0	354.882	1.849	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(CC)s2)[C@H](C)C1	ZINC001107063538	900449215	/nfs/dbraw/zinc/44/92/15/900449215.db2.gz	RPFTTYSNLMCCQD-MGPQQGTHSA-N	1	0	352.504	1.876	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCCC2)[C@H](C)C1	ZINC001107063433	900449529	/nfs/dbraw/zinc/44/95/29/900449529.db2.gz	ORYRNNSSUHCKSH-HZPDHXFCSA-N	1	0	351.491	1.322	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CCCCCn2cncn2)[C@H](C)C1	ZINC001107065086	900453651	/nfs/dbraw/zinc/45/36/51/900453651.db2.gz	FKINWHPVODPMMX-QZTJIDSGSA-N	1	0	363.506	1.725	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCCNC4=O)[C@@H]3C2)cc1	ZINC001084427518	914458228	/nfs/dbraw/zinc/45/82/28/914458228.db2.gz	LBJMLSQSXAQFQE-FGTMMUONSA-N	1	0	352.438	1.117	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)c2c(C)nn(C)c2C)C[C@H]1C	ZINC001107086995	900716602	/nfs/dbraw/zinc/71/66/02/900716602.db2.gz	ICIWOLSXBJYSDZ-IIDMSEBBSA-N	1	0	360.502	1.474	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCCO2)C[C@H]1C	ZINC001107089661	900801603	/nfs/dbraw/zinc/80/16/03/900801603.db2.gz	YJOFEZDMNIJNLR-ZACQAIPSSA-N	1	0	351.491	1.322	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cncc(OC)n2)[C@@H](n2ccnn2)C1	ZINC001129307786	901071626	/nfs/dbraw/zinc/07/16/26/901071626.db2.gz	OOXIWNMYVSXIIK-BMFZPTHFSA-N	1	0	371.445	1.087	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)c4ccc(C#N)[nH]4)C3)CC2)CC[N@@H+]1C	ZINC000944949570	901092876	/nfs/dbraw/zinc/09/28/76/901092876.db2.gz	YRVQCNAHEHGXHF-GDBMZVCRSA-N	1	0	369.469	1.291	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CCNc2ccnc(C#N)n2)CC[N@@H+]1C	ZINC001063852579	901167710	/nfs/dbraw/zinc/16/77/10/901167710.db2.gz	HBUYINSFILILFS-IXDOHACOSA-N	1	0	370.501	1.684	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1(CNC(=O)C[N@@H+](C)CCC)CCC1	ZINC001063855767	901170469	/nfs/dbraw/zinc/17/04/69/901170469.db2.gz	AMPTYVMAKFQZJL-CVEARBPZSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH]cn2)[C@@H](n2ccnn2)C1	ZINC001129312629	901275268	/nfs/dbraw/zinc/27/52/68/901275268.db2.gz	JLRRBVGFYSCWBZ-UAGQMJEPSA-N	1	0	357.462	1.188	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2nc(C)c[nH]2)[C@@H](n2ccnn2)C1	ZINC001129312568	901275596	/nfs/dbraw/zinc/27/55/96/901275596.db2.gz	HJELSBCCAQNLKL-CVEARBPZSA-N	1	0	359.478	1.935	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCCN(c2cncc(C#N)n2)C3)CC[N@@H+]1C	ZINC001064570706	901389172	/nfs/dbraw/zinc/38/91/72/901389172.db2.gz	NWEBGWQGCVVXGJ-WRWLIDTKSA-N	1	0	368.485	1.507	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3ccccc3C#N)C[C@@H]2O)CC1	ZINC001083908722	901565716	/nfs/dbraw/zinc/56/57/16/901565716.db2.gz	SPJIEBJAEDMIBX-UXHICEINSA-N	1	0	370.497	1.340	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2n[nH]c(C)c2C)C1	ZINC001079129681	901935957	/nfs/dbraw/zinc/93/59/57/901935957.db2.gz	ALGTUIXIIXPKIB-RTBURBONSA-N	1	0	366.465	1.737	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cc[nH]c(=O)c2)C1	ZINC001079131443	901941933	/nfs/dbraw/zinc/94/19/33/901941933.db2.gz	TWSVVGIRLAMFMS-RTBURBONSA-N	1	0	365.433	1.498	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2n[nH]cc2F)C1	ZINC001079142525	901949231	/nfs/dbraw/zinc/94/92/31/901949231.db2.gz	FXANNKLGYBOXOI-IAGOWNOFSA-N	1	0	358.417	1.812	20	30		FDEDRO
C#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2c[nH]nc2CC)C1	ZINC001079138198	902018079	/nfs/dbraw/zinc/01/80/79/902018079.db2.gz	SPJOLRJFIUWGMV-RTBURBONSA-N	1	0	352.438	1.293	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]Cc2cnns2)C1	ZINC001079174874	902057716	/nfs/dbraw/zinc/05/77/16/902057716.db2.gz	KMCRSFOBCGTUON-KNXALSJPSA-N	1	0	359.430	1.921	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC(=O)N2CCC2)C1	ZINC001079175143	902060094	/nfs/dbraw/zinc/06/00/94/902060094.db2.gz	XZZZHYLQMNAKIF-RRQGHBQHSA-N	1	0	358.417	1.102	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)nn2)C[C@H]1c1cccc(F)c1	ZINC001079205810	902109786	/nfs/dbraw/zinc/10/97/86/902109786.db2.gz	GJETVZLHHZCWRH-DOTOQJQBSA-N	1	0	354.385	1.455	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC(=O)N2C)C[C@H]1c1cccc(F)c1	ZINC001079208118	902116132	/nfs/dbraw/zinc/11/61/32/902116132.db2.gz	JUXIQUVEIUMKLD-KSZLIROESA-N	1	0	359.445	1.907	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)oc1C)C2	ZINC000995739032	902126091	/nfs/dbraw/zinc/12/60/91/902126091.db2.gz	PSBASTUHFATPEI-BVBHFADKSA-N	1	0	369.465	1.856	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CCF)C1	ZINC001079187594	902135396	/nfs/dbraw/zinc/13/53/96/902135396.db2.gz	NUFPEFNOLHAQMV-OTWHNJEPSA-N	1	0	361.436	1.777	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@H]1c1cccc(F)c1	ZINC001079189024	902140040	/nfs/dbraw/zinc/14/00/40/902140040.db2.gz	CJESEFPFTZXAGQ-DLBZAZTESA-N	1	0	366.458	1.330	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]CCO)C2)cc1	ZINC001079193388	902151181	/nfs/dbraw/zinc/15/11/81/902151181.db2.gz	AIRNNWISUSOVQK-VQTJNVASSA-N	1	0	352.409	1.997	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CN(C(=O)c3cn(C)cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079235787	902176074	/nfs/dbraw/zinc/17/60/74/902176074.db2.gz	QUUDKWANFHTIRT-FUHWJXTLSA-N	1	0	358.486	1.939	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3cnc(C)cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079221254	902222056	/nfs/dbraw/zinc/22/20/56/902222056.db2.gz	WVKKOUAHZJTLRT-FUHWJXTLSA-N	1	0	356.470	1.914	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3cncnc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079225103	902234000	/nfs/dbraw/zinc/23/40/00/902234000.db2.gz	UVWHKDVZNVAROF-ZWKOTPCHSA-N	1	0	356.470	1.914	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)Cc3ccncc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079242194	902237971	/nfs/dbraw/zinc/23/79/71/902237971.db2.gz	RPUFZAHZLLFZIQ-RBUKOAKNSA-N	1	0	353.466	1.505	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3cc(C)nn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079227466	902241426	/nfs/dbraw/zinc/24/14/26/902241426.db2.gz	VUOBJBSXTJJUHS-FUHWJXTLSA-N	1	0	358.486	1.858	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC2(CC[NH+](Cc3cncn3C)CC2)[C@H]2COC[C@H]21	ZINC001079228461	902243647	/nfs/dbraw/zinc/24/36/47/902243647.db2.gz	NJYUSAMBRFHTTJ-BHYGNILZSA-N	1	0	357.458	1.019	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCc4cncn4C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079248340	902264072	/nfs/dbraw/zinc/26/40/72/902264072.db2.gz	UUFHHVXRULLJAJ-YTQUADARSA-N	1	0	370.497	1.571	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3ccnc4n[nH]nc43)[C@@H]3COC[C@@H]32)CC1	ZINC001079251215	902272407	/nfs/dbraw/zinc/27/24/07/902272407.db2.gz	LZAJXNJKFSJTSX-LSDHHAIUSA-N	1	0	368.441	1.092	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)CCn3ccnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079254765	902282394	/nfs/dbraw/zinc/28/23/94/902282394.db2.gz	UIVLDBZNWRHTOG-ZWKOTPCHSA-N	1	0	358.486	1.789	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cc(CCC)n[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079254831	902282550	/nfs/dbraw/zinc/28/25/50/902282550.db2.gz	YEDMEWOJAGLTGK-PKOBYXMFSA-N	1	0	370.497	1.939	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)Cn3ccnc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079273641	902284341	/nfs/dbraw/zinc/28/43/41/902284341.db2.gz	ILXXCJTVWWNVOG-ZWKOTPCHSA-N	1	0	358.486	1.707	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)Cc3ccc(OC)cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079257918	902289172	/nfs/dbraw/zinc/28/91/72/902289172.db2.gz	DHJGMMJCYYTHRP-RBUKOAKNSA-N	1	0	369.465	1.205	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cccnc3OC)[C@@H]3COC[C@@H]32)CC1	ZINC001079258935	902293610	/nfs/dbraw/zinc/29/36/10/902293610.db2.gz	RBIGJJNERQIYLO-DLBZAZTESA-N	1	0	355.438	1.276	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC3(CC[NH+](CCOC)CC3)[C@H]3COC[C@H]32)c1	ZINC001079259612	902295706	/nfs/dbraw/zinc/29/57/06/902295706.db2.gz	KJWNOQAQMRXMQM-RBUKOAKNSA-N	1	0	369.465	1.262	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc(C(F)F)n[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079260948	902299916	/nfs/dbraw/zinc/29/99/16/902299916.db2.gz	XNQUIQGQIOQZJC-SWLSCSKDSA-N	1	0	364.396	1.534	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)CCc3cn[nH]n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079261773	902300824	/nfs/dbraw/zinc/30/08/24/902300824.db2.gz	HNBGHZBIGDEANJ-DLBZAZTESA-N	1	0	359.474	1.253	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ccc(C)nc3OC)[C@@H]3COC[C@@H]32)CC1	ZINC001079265579	902312255	/nfs/dbraw/zinc/31/22/55/902312255.db2.gz	PVPISLOFJUIQEU-ZWKOTPCHSA-N	1	0	369.465	1.585	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1c1ccccc1F	ZINC001079302262	902350626	/nfs/dbraw/zinc/35/06/26/902350626.db2.gz	USKJITUSFJBIMZ-UKPHBRMFSA-N	1	0	366.458	1.330	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC34CCOCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079278221	902365447	/nfs/dbraw/zinc/36/54/47/902365447.db2.gz	NAOTVTMHWZOUNE-FGTMMUONSA-N	1	0	358.482	1.376	20	30		FDEDRO
N#CCN[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1c1ccccc1F	ZINC001079295401	902399129	/nfs/dbraw/zinc/39/91/29/902399129.db2.gz	FKUIWKXOUWRSPX-JENIJYKNSA-N	1	0	356.445	1.575	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(CC3CC3)nn2)C[C@H]1c1ccccc1F	ZINC001079316938	902413545	/nfs/dbraw/zinc/41/35/45/902413545.db2.gz	GIZZHJYSTPQJAW-FUHWJXTLSA-N	1	0	367.428	1.658	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)C2)C[C@H]1c1ccccc1F	ZINC001079322418	902426344	/nfs/dbraw/zinc/42/63/44/902426344.db2.gz	SBZUXLOORSPOEZ-UWWQBHOKSA-N	1	0	359.445	1.764	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccn3nnnc3c2)C[C@H]1c1ccccc1F	ZINC001079305225	902436475	/nfs/dbraw/zinc/43/64/75/902436475.db2.gz	RMQPAPWZCMILQA-DOTOQJQBSA-N	1	0	366.400	1.647	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2=COCCC2)C3)CC1	ZINC000995889205	902594223	/nfs/dbraw/zinc/59/42/23/902594223.db2.gz	GPOMCTFUPLTMFP-QYZOEREBSA-N	1	0	371.481	1.274	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)c1nccnc1N	ZINC001079503547	902676972	/nfs/dbraw/zinc/67/69/72/902676972.db2.gz	PVXPSIFYDVRFTC-CZUORRHYSA-N	1	0	366.425	1.211	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H](O)Cc2ccc(F)cc2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC001079538033	902736360	/nfs/dbraw/zinc/73/63/60/902736360.db2.gz	OFQPTWLTARVWOG-XVGQJIODSA-N	1	0	370.428	1.679	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N(CCOC)C[C@H](O)C(F)(F)F)CC1	ZINC000654431247	902972872	/nfs/dbraw/zinc/97/28/72/902972872.db2.gz	BSMDRLLTTGTNCP-ZDUSSCGKSA-N	1	0	353.385	1.218	20	30		FDEDRO
CCn1nncc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1C	ZINC001079665714	903053754	/nfs/dbraw/zinc/05/37/54/903053754.db2.gz	HVCDOBVEZJRKQA-RHSMWYFYSA-N	1	0	368.441	1.451	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1CCc2nccn2C1	ZINC001079991099	903815910	/nfs/dbraw/zinc/81/59/10/903815910.db2.gz	WAATUEGQUVPEHQ-ATZDWAIDSA-N	1	0	363.465	1.954	20	30		FDEDRO
C=CCCOCC(=O)N(CC)C1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001079981309	903884353	/nfs/dbraw/zinc/88/43/53/903884353.db2.gz	NRDLLCLRHYSAIK-DLBZAZTESA-N	1	0	351.491	1.369	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C1CCC(C(N)=O)CC1	ZINC001080016244	903904622	/nfs/dbraw/zinc/90/46/22/903904622.db2.gz	VAUHDYJUHOLUPB-YOODTLSXSA-N	1	0	368.481	1.786	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccccc3F)CCC[C@@H]12	ZINC001107256114	904156892	/nfs/dbraw/zinc/15/68/92/904156892.db2.gz	GCSFASBHQXSXMJ-YLJYHZDGSA-N	1	0	357.429	1.550	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@@]3(CNC(=O)CCSC)CCC[C@@H]23)C1=O	ZINC001107274115	904293989	/nfs/dbraw/zinc/29/39/89/904293989.db2.gz	QGNYIEZPPPYSLO-GPMSIDNRSA-N	1	0	365.543	1.887	20	30		FDEDRO
CCCCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CSCC#N)CCC[C@@H]12	ZINC001107289768	904310203	/nfs/dbraw/zinc/31/02/03/904310203.db2.gz	ORMUALFDCBGPIL-CRAIPNDOSA-N	1	0	366.531	1.520	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2nnc(CC)[nH]2)CC1	ZINC000996600736	904313361	/nfs/dbraw/zinc/31/33/61/904313361.db2.gz	KYLVPNHJFGWCDT-BMFZPTHFSA-N	1	0	361.490	1.990	20	30		FDEDRO
Cc1cccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)n1	ZINC001107284384	904327857	/nfs/dbraw/zinc/32/78/57/904327857.db2.gz	YOLZYGAVPJFCRM-VQIMIIECSA-N	1	0	355.442	1.004	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)COC3CCCC3)CCC[C@@H]12	ZINC001107296232	904336537	/nfs/dbraw/zinc/33/65/37/904336537.db2.gz	LZNVTQASIXAQLN-YLJYHZDGSA-N	1	0	361.486	1.056	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3c3ccncc3)CC2)C1=O	ZINC000996606928	904341847	/nfs/dbraw/zinc/34/18/47/904341847.db2.gz	KUKBKTWSNNNCRZ-IPMKNSEASA-N	1	0	368.481	1.553	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C=C3CCCCC3)CCC[C@@H]12	ZINC001107312337	904385600	/nfs/dbraw/zinc/38/56/00/904385600.db2.gz	VIFHHKUDXVMDNP-WIYYLYMNSA-N	1	0	357.498	1.987	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccnc(F)c3)CCC[C@@H]12	ZINC001107307412	904403144	/nfs/dbraw/zinc/40/31/44/904403144.db2.gz	UTHKOVNTWZVMEF-DNVCBOLYSA-N	1	0	360.433	1.497	20	30		FDEDRO
C=CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H](C)CS(C)(=O)=O)CC2	ZINC001107326767	904481756	/nfs/dbraw/zinc/48/17/56/904481756.db2.gz	FHZYQDKCITZPHT-LZLYRXPVSA-N	1	0	356.532	1.994	20	30		FDEDRO
C=CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@@H](C)CS(C)(=O)=O)CC2	ZINC001107326766	904482128	/nfs/dbraw/zinc/48/21/28/904482128.db2.gz	FHZYQDKCITZPHT-JFIYKMOQSA-N	1	0	356.532	1.994	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cnccc3C)CCC[C@@H]12	ZINC001107340933	904524373	/nfs/dbraw/zinc/52/43/73/904524373.db2.gz	FIYIVRMJZIPSAT-YLJYHZDGSA-N	1	0	356.470	1.667	20	30		FDEDRO
C=CCOCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@@H](O)COC)CC2	ZINC001107350148	904553149	/nfs/dbraw/zinc/55/31/49/904553149.db2.gz	CEFARZRDZBLQHT-ZHALLVOQSA-N	1	0	354.491	1.337	20	30		FDEDRO
C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnccc1C)CC2	ZINC001107366476	904572295	/nfs/dbraw/zinc/57/22/95/904572295.db2.gz	GHRNONPNHDAISE-WIYYLYMNSA-N	1	0	368.481	1.390	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@](C)(O)C3CC3)CCC[C@@H]12	ZINC001107371993	904595826	/nfs/dbraw/zinc/59/58/26/904595826.db2.gz	JZZYITNPCJMNLS-LSTHTHJFSA-N	1	0	363.502	1.201	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(C)C1CC1)CC2	ZINC001107378859	904622989	/nfs/dbraw/zinc/62/29/89/904622989.db2.gz	PJMSOEJGXFCFPH-LSTHTHJFSA-N	1	0	363.502	1.295	20	30		FDEDRO
CC(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(C)CC1CC1)CC2	ZINC001107394314	904698356	/nfs/dbraw/zinc/69/83/56/904698356.db2.gz	XUSVSNJLPVNVKM-WIYYLYMNSA-N	1	0	359.514	1.875	20	30		FDEDRO
CC(=O)NCCOCC[N@@H+]1CC[C@@]2(CNC(=O)C#CC(C)C)CCC[C@@H]12	ZINC001107396762	904710605	/nfs/dbraw/zinc/71/06/05/904710605.db2.gz	LFZOZOGCGSBVAR-UYAOXDASSA-N	1	0	363.502	1.159	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1	ZINC000996681252	904712599	/nfs/dbraw/zinc/71/25/99/904712599.db2.gz	LBIOKPPXCNOVOI-UGSOOPFHSA-N	1	0	361.417	1.582	20	30		FDEDRO
CC(C)(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC1CC1)CC2	ZINC001107399925	904731122	/nfs/dbraw/zinc/73/11/22/904731122.db2.gz	QHTJTTNKRSTAQI-DYESRHJHSA-N	1	0	359.514	1.923	20	30		FDEDRO
C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cc3n(n1)CCC3)CC2	ZINC001107404750	904749450	/nfs/dbraw/zinc/74/94/50/904749450.db2.gz	LTTROSWVNHYCAQ-TZIWHRDSSA-N	1	0	370.497	1.730	20	30		FDEDRO
C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCc1ccnn1C)CC2	ZINC001107401458	904777079	/nfs/dbraw/zinc/77/70/79/904777079.db2.gz	OZYVNZRRZQSIHU-UYAOXDASSA-N	1	0	358.486	1.363	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccc(OC)nc1)CC2	ZINC001107401238	904778029	/nfs/dbraw/zinc/77/80/29/904778029.db2.gz	DGVAHDOVDRSIIU-YRISNDGFSA-N	1	0	371.481	1.989	20	30		FDEDRO
C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccnc(OC)c1)CC2	ZINC001107401676	904782550	/nfs/dbraw/zinc/78/25/50/904782550.db2.gz	ZJFQCOYNVDOXBQ-HGHGUNKESA-N	1	0	371.481	1.989	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)c3ccoc3C)CCC[C@@H]12	ZINC001107416839	904784691	/nfs/dbraw/zinc/78/46/91/904784691.db2.gz	VBYNUFVHQLPGHA-YLJYHZDGSA-N	1	0	357.454	1.702	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc[nH]c3)CCC[C@@H]12	ZINC001107414827	904825313	/nfs/dbraw/zinc/82/53/13/904825313.db2.gz	ULVBZPSCYWJVEV-YLJYHZDGSA-N	1	0	371.485	1.751	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCc3ccn(C)n3)CCC[C@@H]12	ZINC001107426006	904844567	/nfs/dbraw/zinc/84/45/67/904844567.db2.gz	YNJXQJRQRLEPFJ-UYAOXDASSA-N	1	0	358.486	1.363	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C(=O)C3CC3)CCC[C@@H]12	ZINC001107426391	904848266	/nfs/dbraw/zinc/84/82/66/904848266.db2.gz	MUUHNMUPBOLUDE-CRAIPNDOSA-N	1	0	353.894	1.968	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3(F)CCOCC3)CCC[C@@H]12	ZINC001107429032	904864325	/nfs/dbraw/zinc/86/43/25/904864325.db2.gz	QDHUZMFEBJYSOQ-CRAIPNDOSA-N	1	0	367.465	1.168	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cccn3CC=C)CCC[C@@H]12	ZINC001107437069	904907910	/nfs/dbraw/zinc/90/79/10/904907910.db2.gz	ZYIVAFURZIBTOB-WIYYLYMNSA-N	1	0	370.497	1.951	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3ccc(C(N)=O)nc3)CCC[C@@H]12	ZINC001107449561	904971499	/nfs/dbraw/zinc/97/14/99/904971499.db2.gz	NUYTZYBUDDBNQQ-YLJYHZDGSA-N	1	0	356.470	1.660	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3ccc(F)cn3)CCC[C@@H]12	ZINC001107457172	905020413	/nfs/dbraw/zinc/02/04/13/905020413.db2.gz	HVEHCZDPLDXBMJ-UYAOXDASSA-N	1	0	359.445	1.774	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccnc(OC)n3)CCC[C@@H]12	ZINC001107467562	905046931	/nfs/dbraw/zinc/04/69/31/905046931.db2.gz	OKRROKSSIOPLDC-VQIMIIECSA-N	1	0	360.458	1.662	20	30		FDEDRO
N#Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[NH+]4CCC2CC4)C3)c[nH]1	ZINC000996723659	905051607	/nfs/dbraw/zinc/05/16/07/905051607.db2.gz	GPZJTCQPMIZUDH-OWSLCNJRSA-N	1	0	367.453	1.090	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(=O)n3C)C2)cc1C#N	ZINC001080263901	905084814	/nfs/dbraw/zinc/08/48/14/905084814.db2.gz	PRYNPSAQPLEKAI-IUODEOHRSA-N	1	0	369.425	1.256	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)CCc3ccc(C(N)=O)cc3)CCC[C@@H]12	ZINC001107469852	905085736	/nfs/dbraw/zinc/08/57/36/905085736.db2.gz	OVJCBNDCCLOKHP-WIYYLYMNSA-N	1	0	353.466	1.712	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccn4ccnc4c3)CCC[C@@H]12	ZINC001107469801	905086079	/nfs/dbraw/zinc/08/60/79/905086079.db2.gz	MPOJYAROLOSRNO-WIYYLYMNSA-N	1	0	366.465	1.959	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C)c(C)n3)CCC[C@@H]12	ZINC001107473007	905113988	/nfs/dbraw/zinc/11/39/88/905113988.db2.gz	VWIFEQCOUAOZIM-WIYYLYMNSA-N	1	0	368.481	1.422	20	30		FDEDRO
CCOc1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC#CCOC)CC3)on1	ZINC001107473390	905124799	/nfs/dbraw/zinc/12/47/99/905124799.db2.gz	RGGWVTCCYVRTSE-VQIMIIECSA-N	1	0	361.442	1.698	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCNC(=O)CC3)CCC[C@@H]12	ZINC001107485283	905161239	/nfs/dbraw/zinc/16/12/39/905161239.db2.gz	SCROLSASNABELP-MBOZVWFJSA-N	1	0	363.502	1.466	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CCC(=O)N3C)CCC[C@@H]12	ZINC001107494871	905197645	/nfs/dbraw/zinc/19/76/45/905197645.db2.gz	DFAFMWKQWHDJNE-SQGPQFPESA-N	1	0	361.486	1.008	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCN1CCNC1=O)CC2	ZINC001107496634	905202869	/nfs/dbraw/zinc/20/28/69/905202869.db2.gz	HJMMKLDAYIEDBT-OXQOHEQNSA-N	1	0	362.518	1.975	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[C@@H]3C)CCC[C@@H]12	ZINC001107500486	905240158	/nfs/dbraw/zinc/24/01/58/905240158.db2.gz	GOFNTRXLWNHLJB-MIALQEHNSA-N	1	0	360.502	1.765	20	30		FDEDRO
C#CCCCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H](O)COC)CC2	ZINC001107500658	905240901	/nfs/dbraw/zinc/24/09/01/905240901.db2.gz	MPUWDBRLFIHIBL-NLWGTHIKSA-N	1	0	350.503	1.938	20	30		FDEDRO
CCCC1(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)CCC1	ZINC001107511772	905275890	/nfs/dbraw/zinc/27/58/90/905275890.db2.gz	UYDNQDRGBCBUNI-OXQOHEQNSA-N	1	0	360.502	1.957	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)c3cncnc3)CCC[C@@H]12	ZINC001107519996	905339887	/nfs/dbraw/zinc/33/98/87/905339887.db2.gz	YLJJRYQHDUDBAX-YVWKXTFCSA-N	1	0	356.470	1.591	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](Cc3c[nH]cn3)NC(C)=O)CCC[C@@H]12	ZINC001107525519	905371082	/nfs/dbraw/zinc/37/10/82/905371082.db2.gz	HRAYAJYQSUEZBJ-YQVWRLOYSA-N	1	0	359.474	1.004	20	30		FDEDRO
C=CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCOCC1)CC2	ZINC001107524419	905371511	/nfs/dbraw/zinc/37/15/11/905371511.db2.gz	ZETBFUMHFOGALX-YLJYHZDGSA-N	1	0	363.502	1.562	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1	ZINC000764688283	905384065	/nfs/dbraw/zinc/38/40/65/905384065.db2.gz	PIEKTAOAQUNQKI-INIZCTEOSA-N	1	0	373.453	1.254	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](CC(C)C)OC)CCC[C@@H]12	ZINC001107538822	905437628	/nfs/dbraw/zinc/43/76/28/905437628.db2.gz	WKXKSISYOGKIBK-SQGPQFPESA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ocnc3CC)CCC[C@@H]12	ZINC001107543458	905468990	/nfs/dbraw/zinc/46/89/90/905468990.db2.gz	IVGVOOMFHAUGDM-DNVCBOLYSA-N	1	0	360.458	1.514	20	30		FDEDRO
C#CCOCCC(=O)N1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001082076050	905651763	/nfs/dbraw/zinc/65/17/63/905651763.db2.gz	NFTXTJKMYWLEKI-OKZBNKHCSA-N	1	0	363.502	1.254	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)C3CCCCC3)C[C@H]2C)nn1	ZINC001080580010	905735604	/nfs/dbraw/zinc/73/56/04/905735604.db2.gz	DKTHTBLXLAEWOW-KYJSFNMBSA-N	1	0	361.490	1.455	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@H]2C)nn1	ZINC001080580159	905736169	/nfs/dbraw/zinc/73/61/69/905736169.db2.gz	LSGNXMPGFIDTJL-RHSMWYFYSA-N	1	0	355.442	1.207	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CCc3cccs3)C[C@H]2OC)c1	ZINC001082118240	905834166	/nfs/dbraw/zinc/83/41/66/905834166.db2.gz	NJXGKTSSLFZCNU-QZTJIDSGSA-N	1	0	355.463	1.796	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc(OC)nc3)CCC[C@@H]12	ZINC001107596832	905858476	/nfs/dbraw/zinc/85/84/76/905858476.db2.gz	OLKAPLLYPSGZNG-VQIMIIECSA-N	1	0	358.442	1.109	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@]3(C)CCCOC3)CCC[C@@H]12	ZINC001107593441	905875336	/nfs/dbraw/zinc/87/53/36/905875336.db2.gz	MEGUTVRIGQNJDC-LSTHTHJFSA-N	1	0	363.502	1.466	20	30		FDEDRO
CO[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1	ZINC001082135010	905941478	/nfs/dbraw/zinc/94/14/78/905941478.db2.gz	LQBSKPLSFINEBC-MISYRCLQSA-N	1	0	355.482	1.195	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C(C3CC3)C3CC3)CCC[C@@H]12	ZINC001107606203	905951688	/nfs/dbraw/zinc/95/16/88/905951688.db2.gz	POVRSJOOPGPGTQ-OXQOHEQNSA-N	1	0	358.486	1.423	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)CCCC(=O)N(C)C)CCC[C@@H]12	ZINC001107612274	905977378	/nfs/dbraw/zinc/97/73/78/905977378.db2.gz	ZTYLKNHQLPABNZ-YLJYHZDGSA-N	1	0	365.518	1.808	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)CN3Cc4ccccc4C3=O)CCC[C@@H]12	ZINC001107613168	905984463	/nfs/dbraw/zinc/98/44/63/905984463.db2.gz	JTXICVUBIPDWDZ-WIYYLYMNSA-N	1	0	351.450	1.636	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2scnc2C)C[C@H]1OC	ZINC001082149686	905993022	/nfs/dbraw/zinc/99/30/22/905993022.db2.gz	IPMKTGSUHLETRZ-LVQVYYBASA-N	1	0	365.499	1.401	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(OC)cc3)CCC[C@@H]12	ZINC001107615817	906006336	/nfs/dbraw/zinc/00/63/36/906006336.db2.gz	MFQPTVQPKMAHKB-WIYYLYMNSA-N	1	0	369.465	1.419	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)NC(=O)c3ccccc3)CCC[C@@H]12	ZINC001107625111	906036694	/nfs/dbraw/zinc/03/66/94/906036694.db2.gz	HBUAIPZGWDMQLS-YRISNDGFSA-N	1	0	353.466	1.799	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)C(C)(C)C)CCC[C@@H]12	ZINC001107631139	906074280	/nfs/dbraw/zinc/07/42/80/906074280.db2.gz	DGESYCFLPWMVRF-OXQOHEQNSA-N	1	0	363.502	1.159	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)C1	ZINC001080746096	906109091	/nfs/dbraw/zinc/10/90/91/906109091.db2.gz	XYMODUWRLMNHCR-IIDMSEBBSA-N	1	0	354.454	1.363	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC	ZINC001082196735	906164930	/nfs/dbraw/zinc/16/49/30/906164930.db2.gz	BIIFUCIHRKDIDH-BBWFWOEESA-N	1	0	351.491	1.417	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)Cc3nc(C4CC4)nn3C)CCC[C@@H]12	ZINC001107638938	906187402	/nfs/dbraw/zinc/18/74/02/906187402.db2.gz	RTTRUVVQAFBHSU-OXQOHEQNSA-N	1	0	355.486	1.619	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(C)C)CC2	ZINC001107651151	906230814	/nfs/dbraw/zinc/23/08/14/906230814.db2.gz	RXRSEVYXGLEDJO-FRQCXROJSA-N	1	0	351.491	1.463	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1C	ZINC001080805128	906285876	/nfs/dbraw/zinc/28/58/76/906285876.db2.gz	CANRYDCMEMWLJP-SOLBZPMBSA-N	1	0	357.454	1.570	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+](C[C@@H](OC)C2CCC2)C[C@H]1C	ZINC001080806990	906292049	/nfs/dbraw/zinc/29/20/49/906292049.db2.gz	QQYAOENZBBVKKJ-ATZDWAIDSA-N	1	0	371.481	1.959	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@H]1OC	ZINC001082227567	906421831	/nfs/dbraw/zinc/42/18/31/906421831.db2.gz	SPPCCIQLZJNJEP-NMLBUPMWSA-N	1	0	374.481	1.862	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)CCC[NH+](C)C	ZINC001082259132	906504260	/nfs/dbraw/zinc/50/42/60/906504260.db2.gz	VXRHPCOMWQMAGE-BBWFWOEESA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001080878005	906569947	/nfs/dbraw/zinc/56/99/47/906569947.db2.gz	WEGPNSMMYCXOJH-HUUCEWRRSA-N	1	0	351.491	1.009	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1	ZINC001082303284	906687886	/nfs/dbraw/zinc/68/78/86/906687886.db2.gz	WWQMCKYSFNZUIN-BBWFWOEESA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCN(c2cccc(CNC(=O)[C@H]3OCC[C@H]3C)n2)C1	ZINC001127845803	906716436	/nfs/dbraw/zinc/71/64/36/906716436.db2.gz	LLUMMDOSXDVJIW-SUMDDJOVSA-N	1	0	358.486	1.867	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCc3scnc3C)C[C@H]2OC)cn1	ZINC001082333618	906828419	/nfs/dbraw/zinc/82/84/19/906828419.db2.gz	QTGSNOWBULCESO-IAGOWNOFSA-N	1	0	370.478	1.500	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1OC	ZINC001082345475	906936700	/nfs/dbraw/zinc/93/67/00/906936700.db2.gz	LWOLJZBEUOWJEW-VAMGGRTRSA-N	1	0	356.466	1.595	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3snnc3C)C[C@H]2C)CC1	ZINC001080997358	906969754	/nfs/dbraw/zinc/96/97/54/906969754.db2.gz	AHWMKFBXHQYPGA-CZUORRHYSA-N	1	0	361.515	1.128	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3nc(C4CC4)no3)C[C@H]2C)CC1	ZINC001080997948	906974090	/nfs/dbraw/zinc/97/40/90/906974090.db2.gz	PRZMDBIAXPURMZ-RHSMWYFYSA-N	1	0	371.485	1.229	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2ccc(C(F)(F)F)n2)[C@H](OC)C1	ZINC001082358952	907097292	/nfs/dbraw/zinc/09/72/92/907097292.db2.gz	AMGOKTMNLFLEPY-CHWSQXEVSA-N	1	0	360.380	1.684	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cccc(-n3cnnn3)c2)[C@H](OC)C1	ZINC001082365585	907158395	/nfs/dbraw/zinc/15/83/95/907158395.db2.gz	JQOYXEYLUKIYRI-IAGOWNOFSA-N	1	0	356.430	1.058	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+][C@H](C)c2nnc(CC)[nH]2)CC1	ZINC000997084546	907216901	/nfs/dbraw/zinc/21/69/01/907216901.db2.gz	NWPABASEAIVVMJ-KMFMINBZSA-N	1	0	361.490	1.990	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1c1ccccc1	ZINC001081130111	907228759	/nfs/dbraw/zinc/22/87/59/907228759.db2.gz	WHTFNBNHRMIMQP-YESZJQIVSA-N	1	0	361.873	1.849	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@H]1c1ccccc1	ZINC001081142948	907252921	/nfs/dbraw/zinc/25/29/21/907252921.db2.gz	CLROBOLLGDYWSR-CEXWTWQISA-N	1	0	370.497	1.937	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)N2CCCC2=O)C[C@H]1c1ccccc1	ZINC001081213939	907322026	/nfs/dbraw/zinc/32/20/26/907322026.db2.gz	WRKNFXGFHGPSGU-NZSAHSFTSA-N	1	0	353.466	1.605	20	30		FDEDRO
CNC(=O)CN1CCC([NH2+]Cc2cc(C#N)ccc2Br)CC1	ZINC000921526144	907373028	/nfs/dbraw/zinc/37/30/28/907373028.db2.gz	ZWNOHHBQGJFDJA-UHFFFAOYSA-N	1	0	365.275	1.621	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)C[C@H]1c1ccccc1	ZINC001081196801	907376013	/nfs/dbraw/zinc/37/60/13/907376013.db2.gz	FQGQFTIWQVNJHP-IXDOHACOSA-N	1	0	361.873	1.992	20	30		FDEDRO
C=CC[NH2+]Cc1ccncc1O[C@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC001127893388	907541414	/nfs/dbraw/zinc/54/14/14/907541414.db2.gz	SUOATLKGEHKDLL-UQZKUAJDSA-N	1	0	369.465	1.760	20	30		FDEDRO
COCc1cccc(CN2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@H](OC)C2)c1	ZINC001081498282	907693308	/nfs/dbraw/zinc/69/33/08/907693308.db2.gz	WPSYTRYYNLJKJJ-RTBURBONSA-N	1	0	368.437	1.662	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2nnc[nH]2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082465560	907901491	/nfs/dbraw/zinc/90/14/91/907901491.db2.gz	AAPBDMVHHZOVFW-RHSMWYFYSA-N	1	0	368.441	1.276	20	30		FDEDRO
COc1cccc([C@@H](O)C[NH2+][C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)c1	ZINC001082480371	907948982	/nfs/dbraw/zinc/94/89/82/907948982.db2.gz	FGRNSBCCXBHJEX-ZNOIYHFQSA-N	1	0	368.437	1.679	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@H]2O)cc1	ZINC001077795151	907979339	/nfs/dbraw/zinc/97/93/39/907979339.db2.gz	BPOHBMMBXPWIME-BHIYHBOVSA-N	1	0	358.438	1.043	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cnnc(C)c3)C[C@H]2C)cc1C#N	ZINC001082489570	907993608	/nfs/dbraw/zinc/99/36/08/907993608.db2.gz	OFGAKZMJRAOFFB-FZKQIMNGSA-N	1	0	365.437	1.916	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2ncc[nH]2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082492607	908013360	/nfs/dbraw/zinc/01/33/60/908013360.db2.gz	CCHIIOCIWPMIFP-CXAGYDPISA-N	1	0	355.417	1.990	20	30		FDEDRO
COc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)ncn1	ZINC001082515018	908180375	/nfs/dbraw/zinc/18/03/75/908180375.db2.gz	UOTCWIOHECBKCE-CXAGYDPISA-N	1	0	351.410	1.607	20	30		FDEDRO
C[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC[NH+](CC#Cc2ccccc2)CC1	ZINC000997307891	908225916	/nfs/dbraw/zinc/22/59/16/908225916.db2.gz	SYERGAMINLCGLF-LZQZEXGQSA-N	1	0	353.466	1.376	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccn3nnnc23)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082532274	908288520	/nfs/dbraw/zinc/28/85/20/908288520.db2.gz	IWCBREWFRBPSKO-CXAGYDPISA-N	1	0	361.409	1.246	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccn3nnnc23)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082533352	908298297	/nfs/dbraw/zinc/29/82/97/908298297.db2.gz	XMXJIDHNFDQQNA-CXAGYDPISA-N	1	0	361.409	1.246	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCC3CCCCCC3)C[C@H]2O)nn1	ZINC001077801536	908307153	/nfs/dbraw/zinc/30/71/53/908307153.db2.gz	VOYMAWHIPZBSRI-SJLPKXTDSA-N	1	0	361.490	1.600	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CCc3ccc(CC)cc3)C[C@H]2O)nn1	ZINC001077801543	908308231	/nfs/dbraw/zinc/30/82/31/908308231.db2.gz	VTQNKZHUIBUDIU-IEBWSBKVSA-N	1	0	369.469	1.044	20	30		FDEDRO
C#Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)nc1	ZINC000765722287	908309279	/nfs/dbraw/zinc/30/92/79/908309279.db2.gz	CMOSINFLDZXDFG-UHFFFAOYSA-N	1	0	372.450	1.155	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C=C2CCC2)CC1	ZINC000997357810	908326910	/nfs/dbraw/zinc/32/69/10/908326910.db2.gz	PWFCLRKFLKNCOM-QYZOEREBSA-N	1	0	355.482	1.690	20	30		FDEDRO
COc1nc(C)ncc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001082546379	908458932	/nfs/dbraw/zinc/45/89/32/908458932.db2.gz	PTDUMZVRXBOHIH-FZKQIMNGSA-N	1	0	365.437	1.916	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2c[nH]cn2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082549552	908487099	/nfs/dbraw/zinc/48/70/99/908487099.db2.gz	ITVLIWCPLLBSAT-FZKQIMNGSA-N	1	0	355.417	1.990	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)NC2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082554937	908549306	/nfs/dbraw/zinc/54/93/06/908549306.db2.gz	LKVWGIIXQCNTMJ-FHLIZLRMSA-N	1	0	354.454	1.411	20	30		FDEDRO
CCn1nnc(C)c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)s2)C1	ZINC001082554987	908550259	/nfs/dbraw/zinc/55/02/59/908550259.db2.gz	NLOFQVSNTCVUKH-IAQYHMDHSA-N	1	0	358.471	1.790	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCc3ncnn32)C1	ZINC001082560805	908623354	/nfs/dbraw/zinc/62/33/54/908623354.db2.gz	WQERKFSDMZQJJQ-BZUAXINKSA-N	1	0	354.458	1.503	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc(F)ccc3F)C[C@H]2C)C1=O	ZINC001082560933	908623503	/nfs/dbraw/zinc/62/35/03/908623503.db2.gz	FSFDQHYYTUFRPD-CSMYWGQOSA-N	1	0	363.408	1.802	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1	ZINC001082561394	908626844	/nfs/dbraw/zinc/62/68/44/908626844.db2.gz	MQIBNDZDFOAREQ-NVXWUHKLSA-N	1	0	354.454	1.623	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1	ZINC001082561637	908630140	/nfs/dbraw/zinc/63/01/40/908630140.db2.gz	GSYRXGFROYDBSG-BZUAXINKSA-N	1	0	365.499	1.159	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2c(C)nnn2CC)C1	ZINC001082561905	908630804	/nfs/dbraw/zinc/63/08/04/908630804.db2.gz	YSGACUIBLGBBTC-GDBMZVCRSA-N	1	0	356.474	1.844	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccn4c3CCCC4)C[C@H]2C)C1=O	ZINC001082566356	908688246	/nfs/dbraw/zinc/68/82/46/908688246.db2.gz	KJGGSWOFSCOKFV-KBAYOESNSA-N	1	0	370.497	1.661	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccnc(Cl)c2)C1	ZINC001082567782	908703060	/nfs/dbraw/zinc/70/30/60/908703060.db2.gz	ASEZJWFXDOWEEW-OIISXLGYSA-N	1	0	360.889	1.769	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(OCC)n2)C1	ZINC001082568016	908706913	/nfs/dbraw/zinc/70/69/13/908706913.db2.gz	RVPJSECDAMZKPD-QRQLOZEOSA-N	1	0	370.497	1.514	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)C2CC(OC)C2)C[C@H]1C	ZINC001082580493	908780694	/nfs/dbraw/zinc/78/06/94/908780694.db2.gz	ONCIQYXZZWIOHQ-WGDNJCCTSA-N	1	0	357.454	1.928	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082580745	908782592	/nfs/dbraw/zinc/78/25/92/908782592.db2.gz	CVPMOOPRQRPXRM-CSMYWGQOSA-N	1	0	358.417	1.303	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1)S(C)(=O)=O	ZINC001082598007	908946897	/nfs/dbraw/zinc/94/68/97/908946897.db2.gz	XCEUCXDGVBFALS-XHBSWPGZSA-N	1	0	367.446	1.067	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082610904	909002368	/nfs/dbraw/zinc/00/23/68/909002368.db2.gz	HSEJBLUFKGCORE-SUYBPPKGSA-N	1	0	358.417	1.160	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](NC(=O)CN(C)C(=O)c2cccs2)[C@H](OC)C1	ZINC001212361352	909133384	/nfs/dbraw/zinc/13/33/84/909133384.db2.gz	KAVGFPBMEKPSQI-ZIAGYGMSSA-N	1	0	351.472	1.212	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082632791	909190169	/nfs/dbraw/zinc/19/01/69/909190169.db2.gz	TVQCLPHSASJALR-IAQYHMDHSA-N	1	0	370.384	1.640	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc3n(n2)CCCO3)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082635271	909225623	/nfs/dbraw/zinc/22/56/23/909225623.db2.gz	MRUIFIYLTYCPHE-RDTXWAMCSA-N	1	0	365.437	1.788	20	30		FDEDRO
C=CCn1c(-c2cccn2C)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000282188671	909237147	/nfs/dbraw/zinc/23/71/47/909237147.db2.gz	FZMIGKZOLHBNHG-MRXNPFEDSA-N	1	0	356.474	1.628	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C)C[C@H]2O)nn1	ZINC001077812667	909282062	/nfs/dbraw/zinc/28/20/62/909282062.db2.gz	LWJTXWOUKXMFLQ-SJLPKXTDSA-N	1	0	355.442	1.138	20	30		FDEDRO
C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)CC1	ZINC000997623446	909315991	/nfs/dbraw/zinc/31/59/91/909315991.db2.gz	BMADXWIERVIVTR-KVSKMBFKSA-N	1	0	358.486	1.831	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc4ncccc4o3)C[C@H]2C)C1=O	ZINC001082649502	909347881	/nfs/dbraw/zinc/34/78/81/909347881.db2.gz	VCHQIDSMEDDVCW-IIAWOOMASA-N	1	0	368.437	1.665	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082658968	909428604	/nfs/dbraw/zinc/42/86/04/909428604.db2.gz	LFFDNUDRNMUFEW-CRAIPNDOSA-N	1	0	351.454	1.861	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(C)sc2C)C[C@@H]1O	ZINC001083790548	909544274	/nfs/dbraw/zinc/54/42/74/909544274.db2.gz	OYDSNVJSWMPLQM-NCOADZHNSA-N	1	0	350.484	1.617	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OC)nn3)C2)cc1	ZINC001082678309	909559777	/nfs/dbraw/zinc/55/97/77/909559777.db2.gz	NELGSACZRBBLHX-RDTXWAMCSA-N	1	0	350.422	1.717	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cn(CC)nn2)CC1	ZINC000997782494	909690065	/nfs/dbraw/zinc/69/00/65/909690065.db2.gz	VBDYNLNZMONNQM-MSOLQXFVSA-N	1	0	361.490	1.607	20	30		FDEDRO
C[C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082707913	909738351	/nfs/dbraw/zinc/73/83/51/909738351.db2.gz	KKGFHZREJJRPCX-FZKQIMNGSA-N	1	0	371.416	1.446	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2ccoc2CC(N)=O)C[C@H]1C	ZINC001082708510	909745592	/nfs/dbraw/zinc/74/55/92/909745592.db2.gz	WQUBUTCJDHINIY-BXKDBHETSA-N	1	0	370.247	1.266	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC[NH+](C)CC2)C3)cc1	ZINC000997878551	909852418	/nfs/dbraw/zinc/85/24/18/909852418.db2.gz	AHTDQRJLDRSFFN-AABGKKOBSA-N	1	0	365.477	1.871	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc3nonc3c2)C1	ZINC001082751931	909998270	/nfs/dbraw/zinc/99/82/70/909998270.db2.gz	HNFIUYSUYDWWIV-FOZNTRSISA-N	1	0	356.426	1.750	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cccc4c3OCC4)C[C@H]2C)C1=O	ZINC001082759073	910027892	/nfs/dbraw/zinc/02/78/92/910027892.db2.gz	LCUOYRHGVRJCSV-FHLIZLRMSA-N	1	0	369.465	1.459	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cn3nccc3C)C[C@H]2C)cc1C#N	ZINC001082771254	910084249	/nfs/dbraw/zinc/08/42/49/910084249.db2.gz	VFGFRRBCBZSQIS-RDTXWAMCSA-N	1	0	367.453	1.709	20	30		FDEDRO
COc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)c(C)nn1C	ZINC001082775591	910104934	/nfs/dbraw/zinc/10/49/34/910104934.db2.gz	GQIOPALMRRDVLZ-CXAGYDPISA-N	1	0	367.453	1.859	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnn(C(C)(C)C)c3)C2)nn1	ZINC001082791381	910193804	/nfs/dbraw/zinc/19/38/04/910193804.db2.gz	OOLKPHZUPRRMSD-GDBMZVCRSA-N	1	0	371.489	1.666	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(F)c(F)c3)C2)nn1	ZINC001082791740	910195507	/nfs/dbraw/zinc/19/55/07/910195507.db2.gz	ZZNXABSNYOPZAY-MLGOLLRUSA-N	1	0	361.396	1.993	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2cnn(C)c2)C1	ZINC001082793843	910202073	/nfs/dbraw/zinc/20/20/73/910202073.db2.gz	CGRIFPHICFXXCH-LULLPPNCSA-N	1	0	360.502	1.770	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ccncn3)C[C@H]2C)cc1C#N	ZINC001082814058	910278379	/nfs/dbraw/zinc/27/83/79/910278379.db2.gz	SEJHZPARRWOJRQ-CXAGYDPISA-N	1	0	351.410	1.607	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C3)cn1	ZINC000998073134	910291596	/nfs/dbraw/zinc/29/15/96/910291596.db2.gz	RSKFHZUWGUOTEO-YDZRNGNQSA-N	1	0	366.465	1.409	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC2CCN(C(=O)[C@@H]3CCO[C@H]3C=C)CC2)C1=O	ZINC000998094179	910332110	/nfs/dbraw/zinc/33/21/10/910332110.db2.gz	HOJVQWYOODJQLC-SQNIBIBYSA-N	1	0	361.486	1.193	20	30		FDEDRO
Cc1cc(=O)c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)c[nH]1	ZINC001082838729	910376076	/nfs/dbraw/zinc/37/60/76/910376076.db2.gz	NBGORDLGRPVWIE-KZULUSFZSA-N	1	0	368.412	1.944	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CCC[N@H+](CC(=O)NC2CC2)CC1	ZINC000998131520	910431102	/nfs/dbraw/zinc/43/11/02/910431102.db2.gz	SZRUIDFAHOCMRZ-KURKYZTESA-N	1	0	363.502	1.559	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082861046	910468748	/nfs/dbraw/zinc/46/87/48/910468748.db2.gz	CXDMEJCKZGFITH-FZKQIMNGSA-N	1	0	355.417	1.610	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCCN2C(N)=O)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082853372	910472238	/nfs/dbraw/zinc/47/22/38/910472238.db2.gz	WMCQHQVNVCDWGE-ZTFGCOKTSA-N	1	0	369.469	1.428	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2conc2CC)C1	ZINC001082868948	910509618	/nfs/dbraw/zinc/50/96/18/910509618.db2.gz	FLWVIFKMFBAKNR-RDTXWAMCSA-N	1	0	368.437	1.894	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCOCC2)C1	ZINC001082869103	910510914	/nfs/dbraw/zinc/51/09/14/910510914.db2.gz	PNTKYZASDRHYHJ-CRAIPNDOSA-N	1	0	357.454	1.570	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@@H](O)c3ccccc3F)C2)cn1	ZINC001082871091	910521282	/nfs/dbraw/zinc/52/12/82/910521282.db2.gz	YTHBFIILLLWEKJ-JSNMRZPZSA-N	1	0	367.424	1.986	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)COc3ccccc3)C[C@H]2C)C1=O	ZINC001082879645	910621391	/nfs/dbraw/zinc/62/13/91/910621391.db2.gz	CMKYVONMDYEWQG-BPQIPLTHSA-N	1	0	357.454	1.289	20	30		FDEDRO
COc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)s3)C2)cnn1C	ZINC001082886329	910647844	/nfs/dbraw/zinc/64/78/44/910647844.db2.gz	RDCFULFETBDNHY-IAQYHMDHSA-N	1	0	359.455	1.612	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)C3CCCCC3)C[C@H]2OC)CCC1	ZINC001212393199	910655045	/nfs/dbraw/zinc/65/50/45/910655045.db2.gz	HNCYJBWPFWDSBK-GUDVDZBRSA-N	1	0	362.514	1.937	20	30		FDEDRO
Cc1nc[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1	ZINC001082884511	910661865	/nfs/dbraw/zinc/66/18/65/910661865.db2.gz	XDOSDRAYKLUTTC-KZULUSFZSA-N	1	0	355.417	1.908	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]2OC)CCC1	ZINC001212399794	910975031	/nfs/dbraw/zinc/97/50/31/910975031.db2.gz	SDUCXDBCVOXGDE-IAGOWNOFSA-N	1	0	361.486	1.008	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1	ZINC000273102338	911078822	/nfs/dbraw/zinc/07/88/22/911078822.db2.gz	IRXKDLGFGJFHBY-AWEZNQCLSA-N	1	0	358.442	1.886	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(N)=O)cn2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082956266	911115832	/nfs/dbraw/zinc/11/58/32/911115832.db2.gz	OXSZLIBTSVGIBG-FZKQIMNGSA-N	1	0	363.421	1.302	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(N)=O)cn2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082956478	911117939	/nfs/dbraw/zinc/11/79/39/911117939.db2.gz	DLLMFODMHRWFLO-FZKQIMNGSA-N	1	0	363.421	1.302	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082959616	911156893	/nfs/dbraw/zinc/15/68/93/911156893.db2.gz	BSLBRSQZCUHECG-DFBGVHRSSA-N	1	0	361.471	1.099	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2CC)C[C@H]1O	ZINC001077822112	911169819	/nfs/dbraw/zinc/16/98/19/911169819.db2.gz	ZPJOXRUJDLXHRJ-NMLBUPMWSA-N	1	0	358.482	1.892	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCc2c(C)nc(=O)[nH]c2C)[C@H](OC)C1	ZINC001212406166	911380859	/nfs/dbraw/zinc/38/08/59/911380859.db2.gz	JVLFYGUAYMNLAQ-IAGOWNOFSA-N	1	0	362.474	1.513	20	30		FDEDRO
C#CCC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@@H]1C[C@H]1CC(C)C)CC2	ZINC001128039463	911709784	/nfs/dbraw/zinc/70/97/84/911709784.db2.gz	JVMTZBJEPUWIQS-IXDOHACOSA-N	1	0	357.502	1.894	20	30		FDEDRO
N#Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccn4c[nH+]cc4c2)C3)c[nH]1	ZINC000998814725	911724741	/nfs/dbraw/zinc/72/47/41/911724741.db2.gz	POYXPRWBYLEPPW-NJAFHUGGSA-N	1	0	374.404	1.710	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cccc(C)n2)C1=O	ZINC001085135656	921695193	/nfs/dbraw/zinc/69/51/93/921695193.db2.gz	YOHNCTLLBGYPTM-JFIYKMOQSA-N	1	0	356.470	1.808	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](CC)[NH+](C)C)cn1	ZINC000998955466	911925090	/nfs/dbraw/zinc/92/50/90/911925090.db2.gz	XLBDBSJDPJBPDM-OWSLCNJRSA-N	1	0	354.454	1.265	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(-c4cn[nH]c4)cn3)[C@H]2C1	ZINC001083124949	912090050	/nfs/dbraw/zinc/09/00/50/912090050.db2.gz	XUUSVBWSWGJVOV-RBUKOAKNSA-N	1	0	367.453	1.963	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1	ZINC000999180318	912183479	/nfs/dbraw/zinc/18/34/79/912183479.db2.gz	GRJARRUYYHRDLR-OTWHNJEPSA-N	1	0	371.481	1.847	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C)nn2C)C1=O	ZINC001085144763	921755091	/nfs/dbraw/zinc/75/50/91/921755091.db2.gz	MXRDTLSZCNTULH-OAGGEKHMSA-N	1	0	359.474	1.146	20	30		FDEDRO
C=CCC(CC=C)C(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1	ZINC001065207992	915893831	/nfs/dbraw/zinc/89/38/31/915893831.db2.gz	YJLDXBAIVWSRAE-BPQIPLTHSA-N	1	0	363.502	1.439	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](O)COc2cccc(F)c2)CC1	ZINC000730029094	915967302	/nfs/dbraw/zinc/96/73/02/915967302.db2.gz	CKFHGPPCSOPGJD-KRWDZBQOSA-N	1	0	365.449	1.905	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1	ZINC000730213925	916313715	/nfs/dbraw/zinc/31/37/15/916313715.db2.gz	YJAKHGMFZCTGSB-OAHLLOKOSA-N	1	0	360.433	1.873	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@H]3CC[N@H+](CC[C@H]4CCOC4)C[C@H]32)nn1	ZINC001084712993	916449076	/nfs/dbraw/zinc/44/90/76/916449076.db2.gz	FIQJIHHAJUOWOV-LZLYRXPVSA-N	1	0	359.474	1.427	20	30		FDEDRO
CCc1cccc(C)c1N=C1NC(=O)C(CC(=O)NCC[NH+](C)C)S1	ZINC000730273612	916493615	/nfs/dbraw/zinc/49/36/15/916493615.db2.gz	WQNNRAVCDPVLQR-AWEZNQCLSA-N	1	0	362.499	1.844	20	30		FDEDRO
N#Cc1cc(CN2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)ccc1F	ZINC001084777636	917051129	/nfs/dbraw/zinc/05/11/29/917051129.db2.gz	IMIMHYCROWKKJA-VQIMIIECSA-N	1	0	368.456	1.826	20	30		FDEDRO
CC(=O)N1CC[C@@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1	ZINC001084800544	917217481	/nfs/dbraw/zinc/21/74/81/917217481.db2.gz	MPWUGEZYAUTBLF-VAMGGRTRSA-N	1	0	366.465	1.459	20	30		FDEDRO
CN1C(=O)CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001084804609	917254726	/nfs/dbraw/zinc/25/47/26/917254726.db2.gz	ZYUVIFBHABVDGN-GUDVDZBRSA-N	1	0	366.465	1.602	20	30		FDEDRO
CC#CCCCC(=O)NC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCO1	ZINC001065210496	917353654	/nfs/dbraw/zinc/35/36/54/917353654.db2.gz	FCCPCCQTRPLHAH-FGTMMUONSA-N	1	0	363.502	1.254	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cn4ccccc4=O)[C@@H]3C2)c1	ZINC001084822108	917423088	/nfs/dbraw/zinc/42/30/88/917423088.db2.gz	HVUWNIDUIKHCDU-RTBURBONSA-N	1	0	362.433	1.453	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4cncc(F)c4)C[C@H]32)CC1	ZINC001084851035	917659065	/nfs/dbraw/zinc/65/90/65/917659065.db2.gz	JXQMBSFERMVJAM-UYAOXDASSA-N	1	0	370.472	1.599	20	30		FDEDRO
O=C(CCn1cncn1)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001084891199	918035118	/nfs/dbraw/zinc/03/51/18/918035118.db2.gz	LLXSEVDCLRTIGG-UXHICEINSA-N	1	0	363.465	1.643	20	30		FDEDRO
C=C(Br)CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000731498013	918139956	/nfs/dbraw/zinc/13/99/56/918139956.db2.gz	JDFHXEKECIPJTR-UHFFFAOYSA-N	1	0	361.284	1.137	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4n[nH]cc4C)C[C@@H]32)C1=O	ZINC001084937398	918519732	/nfs/dbraw/zinc/51/97/32/918519732.db2.gz	REKDRTIIHKJOEU-JYJNAYRXSA-N	1	0	357.458	1.041	20	30		FDEDRO
O=C(C[C@@H]1CCNC1=O)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001084956366	918796932	/nfs/dbraw/zinc/79/69/32/918796932.db2.gz	JCDZCKSZRWUJAE-AABGKKOBSA-N	1	0	365.477	1.487	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)c4ccccc43)C[C@@H]21	ZINC001084960629	918835173	/nfs/dbraw/zinc/83/51/73/918835173.db2.gz	YKKABPKKTUBBRY-LZQZEXGQSA-N	1	0	351.450	1.460	20	30		FDEDRO
CCOCc1cc(C=NNC(=S)NCCC[NH+](C)C)ccc1OC	ZINC000731928041	918846470	/nfs/dbraw/zinc/84/64/70/918846470.db2.gz	BXCHGFUAOJQTSQ-UHFFFAOYSA-N	1	0	352.504	1.981	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCNC3=O)C[C@@H]21	ZINC001084964891	918926387	/nfs/dbraw/zinc/92/63/87/918926387.db2.gz	WUTTZCMRMSBBFM-LZQZEXGQSA-N	1	0	366.465	1.507	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3nnc(-c4ccco4)n3)C[C@@H]21	ZINC001084978016	919054500	/nfs/dbraw/zinc/05/45/00/919054500.db2.gz	RRQXLAUGJJXACK-CABCVRRESA-N	1	0	356.430	1.432	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)o3)C[C@@H]21	ZINC001084980725	919146639	/nfs/dbraw/zinc/14/66/39/919146639.db2.gz	UUABTHLSEFFPPJ-KGLIPLIRSA-N	1	0	367.471	1.430	20	30		FDEDRO
CN(CN1CC(=O)N(Cc2ccccc2C#N)C1=O)[C@H]1CC[N@@H+](C2CC2)C1	ZINC000732188715	919162492	/nfs/dbraw/zinc/16/24/92/919162492.db2.gz	LWDXABHSHRYZLW-SFHVURJKSA-N	1	0	367.453	1.448	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(=O)n(CCOC)n3)C[C@@H]21	ZINC001084984622	919174198	/nfs/dbraw/zinc/17/41/98/919174198.db2.gz	JMZIMPIOFLEVNM-WBVHZDCISA-N	1	0	360.458	1.002	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(OC)cc3)C[C@@H]21	ZINC001084983221	919192882	/nfs/dbraw/zinc/19/28/82/919192882.db2.gz	VUQCPSIFGDCIFH-QAPCUYQASA-N	1	0	355.438	1.580	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3nc(C)c4cccnc43)C[C@@H]21	ZINC001084995053	919337481	/nfs/dbraw/zinc/33/74/81/919337481.db2.gz	HXOODOSLWYVRBG-AEFFLSMTSA-N	1	0	351.454	1.686	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnn4c3nc(C)cc4C)C[C@@H]21	ZINC001085003191	919516289	/nfs/dbraw/zinc/51/62/89/919516289.db2.gz	RXINBTOCGQUWKU-AEFFLSMTSA-N	1	0	351.454	1.906	20	30		FDEDRO
C[C@@]1(C(=O)N2CC[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)[C@H]3C2)CCC(=O)N1	ZINC001085025074	919804037	/nfs/dbraw/zinc/80/40/37/919804037.db2.gz	AVHLPZGLUMDITK-LQWHRVPQSA-N	1	0	366.465	1.650	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4[nH]c(C)nc4C)C[C@@H]32)C1=O	ZINC001085036183	919941584	/nfs/dbraw/zinc/94/15/84/919941584.db2.gz	RTXPAHFPBXACKQ-ULQDDVLXSA-N	1	0	371.485	1.350	20	30		FDEDRO
N#C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CCN1C1CC1	ZINC000732664450	919942798	/nfs/dbraw/zinc/94/27/98/919942798.db2.gz	JPFNWKOYMLIMKL-MJGOQNOKSA-N	1	0	353.470	1.492	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c(c3)C(=O)NC4=O)C[C@@H]21	ZINC001085077779	920582787	/nfs/dbraw/zinc/58/27/87/920582787.db2.gz	DXSISFVLFKZGSO-DYVFJYSZSA-N	1	0	351.406	1.130	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)Cn4cncn4)C[C@@H]32)cc1	ZINC001085088252	920757969	/nfs/dbraw/zinc/75/79/69/920757969.db2.gz	JJMKHLJOFSRLGV-MSOLQXFVSA-N	1	0	350.426	1.273	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3CC(F)(F)F)C[C@@H]21	ZINC001085101657	920926734	/nfs/dbraw/zinc/92/67/34/920926734.db2.gz	XTKFYPKCTBGHBP-OAGGEKHMSA-N	1	0	357.420	1.959	20	30		FDEDRO
COc1cc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)cc(OC)c1OC	ZINC000733334341	920990749	/nfs/dbraw/zinc/99/07/49/920990749.db2.gz	HFDGAIOBRDDYJD-VLGSPTGOSA-N	1	0	361.398	1.328	20	30		FDEDRO
CCOC(=O)CN(CC[NH3+])c1nc2cc(OC)c(OC)cc2cc1C#N	ZINC001170991656	945065748	/nfs/dbraw/zinc/06/57/48/945065748.db2.gz	DENGKQMZUVHIPV-UHFFFAOYSA-N	1	0	358.398	1.452	20	30		FDEDRO
COc1coc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C#N)c[nH]2)cc1=O	ZINC001085162351	921905225	/nfs/dbraw/zinc/90/52/25/921905225.db2.gz	MNDCQEXNOZRYIL-HUUCEWRRSA-N	1	0	370.409	1.679	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C#N)c[nH]1)C(=O)N1CCCCC1	ZINC001085162438	921905456	/nfs/dbraw/zinc/90/54/56/921905456.db2.gz	PJUJANWKOPFYNO-DJIMGWMZSA-N	1	0	371.485	1.918	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCCC2)c1	ZINC001085164097	921912870	/nfs/dbraw/zinc/91/28/70/921912870.db2.gz	PWAIZZHHDYYOBW-HZPDHXFCSA-N	1	0	357.458	1.529	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ncccc2C)C1=O	ZINC001085164541	921916306	/nfs/dbraw/zinc/91/63/06/921916306.db2.gz	MKEKYKSPUCOUAB-ZACQAIPSSA-N	1	0	356.470	1.808	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCNC(=O)C1	ZINC001085164544	921916755	/nfs/dbraw/zinc/91/67/55/921916755.db2.gz	MMVXIYQVYYQFTH-JHJVBQTASA-N	1	0	358.280	1.438	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1COC(=O)C1	ZINC001085170691	921976348	/nfs/dbraw/zinc/97/63/48/921976348.db2.gz	OPPSKYRURYCFBT-YNEHKIRRSA-N	1	0	359.264	1.865	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)n1cncn1	ZINC001085175176	921998056	/nfs/dbraw/zinc/99/80/56/921998056.db2.gz	GYRCXRTYPITBMB-JHJVBQTASA-N	1	0	356.268	1.765	20	30		FDEDRO
CCn1cc(CC[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(C#N)c2)cn1	ZINC001085176435	922006243	/nfs/dbraw/zinc/00/62/43/922006243.db2.gz	GCSWJDDIOBRGOT-QZTJIDSGSA-N	1	0	354.458	1.976	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnnc(C)c2)C1=O	ZINC001085182512	922044714	/nfs/dbraw/zinc/04/47/14/922044714.db2.gz	DWFLILJZHUZJNC-ZACQAIPSSA-N	1	0	357.458	1.203	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)CCC[NH+](C)C)CC1	ZINC001066217359	922610942	/nfs/dbraw/zinc/61/09/42/922610942.db2.gz	LDQPYBGJDIHRCD-LNLFQRSKSA-N	1	0	365.518	1.807	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2cnc(C#N)cn2)CC[N@@H+]1C	ZINC001066202064	922620653	/nfs/dbraw/zinc/62/06/53/922620653.db2.gz	IKEPTVPFJGHAIY-DZUCGIPZSA-N	1	0	354.458	1.258	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cn2nccn2)cc1C#N	ZINC001085212217	922796634	/nfs/dbraw/zinc/79/66/34/922796634.db2.gz	NYQYIOSZMNHMPP-IAGOWNOFSA-N	1	0	368.441	1.376	20	30		FDEDRO
CNC(=O)C1([NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCCC1	ZINC000733999787	922821336	/nfs/dbraw/zinc/82/13/36/922821336.db2.gz	MVEPBOXAJXKFEY-AWEZNQCLSA-N	1	0	363.421	1.872	20	30		FDEDRO
CCN1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)CC1=O	ZINC001085216350	922848147	/nfs/dbraw/zinc/84/81/47/922848147.db2.gz	MTZKWEGJIDNFNQ-GUDVDZBRSA-N	1	0	368.481	1.944	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCCNC2=O)c1	ZINC001085233323	923007515	/nfs/dbraw/zinc/00/75/15/923007515.db2.gz	SEWUAHXGEUFRPL-RCCFBDPRSA-N	1	0	354.454	1.601	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cn[nH]c(=O)c1	ZINC001085234942	923046357	/nfs/dbraw/zinc/04/63/57/923046357.db2.gz	VUDIMVNZMHEGAJ-VXGBXAGGSA-N	1	0	355.236	1.721	20	30		FDEDRO
C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)CCNC(=O)C1	ZINC001085242957	923123980	/nfs/dbraw/zinc/12/39/80/923123980.db2.gz	OHHGEKTVKVGFKE-DBXWQHBBSA-N	1	0	368.481	1.992	20	30		FDEDRO
C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)CCNC(=O)C1	ZINC001085243043	923124347	/nfs/dbraw/zinc/12/43/47/923124347.db2.gz	RPRHOXZAEWJVFP-DBXWQHBBSA-N	1	0	368.481	1.992	20	30		FDEDRO
CN1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)CC1=O	ZINC001085247654	923146817	/nfs/dbraw/zinc/14/68/17/923146817.db2.gz	VJGSLWHBUYHUGY-GUDVDZBRSA-N	1	0	368.481	1.944	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1nnc(-c2ccco2)n1	ZINC001085253694	923218634	/nfs/dbraw/zinc/21/86/34/923218634.db2.gz	BJBUPIZNVFPQGN-CHWSQXEVSA-N	1	0	364.837	1.703	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cnnn2)cn1	ZINC001085284611	923466713	/nfs/dbraw/zinc/46/67/13/923466713.db2.gz	DCQUEWIHAGEXGE-ZIAGYGMSSA-N	1	0	361.837	1.440	20	30		FDEDRO
CN1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)C1=O	ZINC001085302092	923676463	/nfs/dbraw/zinc/67/64/63/923676463.db2.gz	CEOPQHCCUOSULI-KZNAEPCWSA-N	1	0	354.454	1.554	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2nnn(C)c2C1	ZINC001085311832	923724096	/nfs/dbraw/zinc/72/40/96/923724096.db2.gz	ATMXIZDDMRHKIH-MGPQQGTHSA-N	1	0	351.882	1.690	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2csc(C)n2)C1=O	ZINC001085308660	923733814	/nfs/dbraw/zinc/73/38/14/923733814.db2.gz	BYAPFZBGYNQWSL-KFWWJZLASA-N	1	0	362.499	1.869	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cn(C(C)C)nn1	ZINC001085337909	923998345	/nfs/dbraw/zinc/99/83/45/923998345.db2.gz	AYZHPBIEWAFLAQ-TVFCKZIOSA-N	1	0	361.490	1.967	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cn(C)nn1	ZINC001085388934	924401433	/nfs/dbraw/zinc/40/14/33/924401433.db2.gz	KHGBSSGTUHYRSJ-HZPDHXFCSA-N	1	0	370.457	1.606	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cncn1C	ZINC001085397734	924444819	/nfs/dbraw/zinc/44/48/19/924444819.db2.gz	WCHOGXBXYFTXEF-QZTJIDSGSA-N	1	0	367.453	1.658	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H](C)c2nnc(C)[nH]2)nc1	ZINC001085398638	924448206	/nfs/dbraw/zinc/44/82/06/924448206.db2.gz	QONATDWBBHGKMA-DAXOMENPSA-N	1	0	352.442	1.881	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCn1cncn1	ZINC001085398523	924448395	/nfs/dbraw/zinc/44/83/95/924448395.db2.gz	LDXJYFCBFIFDIL-IAGOWNOFSA-N	1	0	368.441	1.016	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCN(C(C)C)C2=O)nc1	ZINC001085398659	924448635	/nfs/dbraw/zinc/44/86/35/924448635.db2.gz	RLSCNXCONDJQKF-LMMKCTJWSA-N	1	0	368.481	1.703	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCc2cnn(C)c2)nc1	ZINC001085398761	924449665	/nfs/dbraw/zinc/44/96/65/924449665.db2.gz	YIJFPSNMPXJBKL-QZTJIDSGSA-N	1	0	351.454	1.670	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(C)C1=O	ZINC001085405888	924479298	/nfs/dbraw/zinc/47/92/98/924479298.db2.gz	CVAAGQYHNDPXIY-QRVBRYPASA-N	1	0	353.466	1.458	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O	ZINC001085406409	924484468	/nfs/dbraw/zinc/48/44/68/924484468.db2.gz	DRGLLKRJKWETJU-KZNAEPCWSA-N	1	0	367.449	1.033	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NCc2nonc2C)CC1	ZINC001085432872	924681260	/nfs/dbraw/zinc/68/12/60/924681260.db2.gz	ULGGJCYQQSXAHF-IAGOWNOFSA-N	1	0	359.474	1.240	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)CC1	ZINC000735940934	924688689	/nfs/dbraw/zinc/68/86/89/924688689.db2.gz	WHRQDNKBZODUMH-GDBMZVCRSA-N	1	0	363.458	1.279	20	30		FDEDRO
CN1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)CCC1=O	ZINC001085433974	924692990	/nfs/dbraw/zinc/69/29/90/924692990.db2.gz	NVXZTSJCWJVTLR-IPMKNSEASA-N	1	0	368.481	1.944	20	30		FDEDRO
C=CCCOCC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001066267957	924855151	/nfs/dbraw/zinc/85/51/51/924855151.db2.gz	QQJBYUCSPXMXBO-IXDOHACOSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CC(OC)C2)c1=S	ZINC000738232778	925148039	/nfs/dbraw/zinc/14/80/39/925148039.db2.gz	AKPJYFFJAUOHNR-UHFFFAOYSA-N	1	0	351.520	1.917	20	30		FDEDRO
Cc1nn2c(nc3ccccc3c2=O)c1=CNNc1ccnc(N(C)C)[nH+]1	ZINC000739412232	925256953	/nfs/dbraw/zinc/25/69/53/925256953.db2.gz	UQLFUSBHBQUXKM-UHFFFAOYSA-N	1	0	362.397	1.786	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H](C)NS(=O)(=O)c2cccs2)CC1	ZINC000740737418	925421043	/nfs/dbraw/zinc/42/10/43/925421043.db2.gz	CQCICFPEGCAKOA-CYBMUJFWSA-N	1	0	369.512	1.019	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)Cc2nn(C)c(=O)c3ccccc23)CC1	ZINC000740738008	925421676	/nfs/dbraw/zinc/42/16/76/925421676.db2.gz	QQJUIEAHUZMUTC-UHFFFAOYSA-N	1	0	352.438	1.080	20	30		FDEDRO
CCN(CCC#N)C(=O)COC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1	ZINC000741342655	925726573	/nfs/dbraw/zinc/72/65/73/925726573.db2.gz	MZLWUTSHKIESMT-UHFFFAOYSA-N	1	0	372.469	1.747	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)CC1	ZINC001066361888	925751896	/nfs/dbraw/zinc/75/18/96/925751896.db2.gz	TUCGGZHDGRYDDK-KURKYZTESA-N	1	0	365.518	1.807	20	30		FDEDRO
CC[N@@H+]1CCC(=NNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1	ZINC000741460437	925775600	/nfs/dbraw/zinc/77/56/00/925775600.db2.gz	OSMXXQPYUVTASH-GFCCVEGCSA-N	1	0	354.432	1.732	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3C#N)C2)C1	ZINC001086088527	925942186	/nfs/dbraw/zinc/94/21/86/925942186.db2.gz	BKLYTVAQAQIFDP-KJWYOANISA-N	1	0	354.454	1.457	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC23CC[NH+](C)CC3)c1	ZINC000742185810	925959558	/nfs/dbraw/zinc/95/95/58/925959558.db2.gz	NDSYKLXFNXVMGW-UHFFFAOYSA-N	1	0	363.483	1.461	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CCNc3cncc(C#N)n3)C2)CC[N@@H+]1C	ZINC001066393011	925963176	/nfs/dbraw/zinc/96/31/76/925963176.db2.gz	ADIRUXPMHOQHCR-HYVNUMGLSA-N	1	0	356.474	1.729	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000742239198	925982257	/nfs/dbraw/zinc/98/22/57/925982257.db2.gz	KXHLYDKOHJPKHC-CQSZACIVSA-N	1	0	364.471	1.093	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nnc(C(C)C)n2C)C1	ZINC001086201926	926284370	/nfs/dbraw/zinc/28/43/70/926284370.db2.gz	ZCDMXRVYFRJUEI-QXSJWSMHSA-N	1	0	361.490	1.514	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccnc(N(C)C)c2)C1	ZINC001086201569	926284691	/nfs/dbraw/zinc/28/46/91/926284691.db2.gz	HKPXZQPRRZVMOI-XDNAFOTISA-N	1	0	358.486	1.723	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ncnn2CC(F)F)C1	ZINC001086201617	926284717	/nfs/dbraw/zinc/28/47/17/926284717.db2.gz	JCPDCLWHFZVIIB-RQJABVFESA-N	1	0	369.416	1.119	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cnns2)C1	ZINC001086220447	926325182	/nfs/dbraw/zinc/32/51/82/926325182.db2.gz	AFVDJBYXMFJGCR-XRGAULLZSA-N	1	0	350.488	1.894	20	30		FDEDRO
COC[C@H](C)NC(=S)NN=C(C)c1cccc(OCC[NH+](C)C)c1	ZINC000743525398	926383401	/nfs/dbraw/zinc/38/34/01/926383401.db2.gz	DDWLAKDBXMFNCF-ZDUSSCGKSA-N	1	0	352.504	1.850	20	30		FDEDRO
N#CCn1c(=O)c2ccccc2nc1CN1CCC[C@@H]1C[NH+]1CCCC1	ZINC000744398764	926656663	/nfs/dbraw/zinc/65/66/63/926656663.db2.gz	POWHZETYUCMOEP-MRXNPFEDSA-N	1	0	351.454	1.980	20	30		FDEDRO
C[C@@H]1CCCCN1C(=O)CO[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1	ZINC000744442863	926686612	/nfs/dbraw/zinc/68/66/12/926686612.db2.gz	NAHRLRDPFPXUBV-OAHLLOKOSA-N	1	0	374.485	1.686	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCCN2c2nc(C)ccc2C#N)CC[N@@H+]1C	ZINC001066527004	927150141	/nfs/dbraw/zinc/15/01/41/927150141.db2.gz	RAMCLOPUFRAOEV-FGTMMUONSA-N	1	0	371.485	1.313	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@]1(C)C[N@H+](CCCOCC)CCO1	ZINC001108274485	927203417	/nfs/dbraw/zinc/20/34/17/927203417.db2.gz	GAIWINDQTXLYTH-JENIJYKNSA-N	1	0	354.491	1.601	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1	ZINC001086433898	927228118	/nfs/dbraw/zinc/22/81/18/927228118.db2.gz	OVXREIDJBODCTQ-VMJIZDNZSA-N	1	0	351.450	1.966	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N2CCCC2)C1	ZINC001086500066	927660486	/nfs/dbraw/zinc/66/04/86/927660486.db2.gz	KMGYBFSPLDOEDR-DWRORGKVSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cnnn2CC)C1	ZINC001086500029	927660501	/nfs/dbraw/zinc/66/05/01/927660501.db2.gz	IXJOHINZFCXTJX-LAQRGFTBSA-N	1	0	361.490	1.654	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccccc2SCC#N)CC1	ZINC000766345031	927883334	/nfs/dbraw/zinc/88/33/34/927883334.db2.gz	LXQNLAHWLQLUTM-MRXNPFEDSA-N	1	0	372.494	1.681	20	30		FDEDRO
C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCCNc2ccc(C#N)cn2)C1	ZINC000746414346	927956490	/nfs/dbraw/zinc/95/64/90/927956490.db2.gz	CITLVWSJUNLKHB-KRWDZBQOSA-N	1	0	356.474	1.738	20	30		FDEDRO
CC[C@H](C)[C@H]([NH2+][C@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1)C(=O)NO	ZINC001168919779	928183178	/nfs/dbraw/zinc/18/31/78/928183178.db2.gz	JMNWTHISMSMFMG-YEWWUXTCSA-N	1	0	363.458	1.696	20	30		FDEDRO
C=CC[NH+](CC=C)CCN1CCN([C@H]2CC[C@H](C(=O)OCC)OC2)CC1	ZINC001169418743	928569613	/nfs/dbraw/zinc/56/96/13/928569613.db2.gz	OQAQZPDDBLLCKG-RBUKOAKNSA-N	1	0	365.518	1.389	20	30		FDEDRO
C#C[C@H]([NH2+]C[C@@]1(O)CCCN(C(=O)OCc2ccccc2)C1)[C@@H]1CCCO1	ZINC001169494074	928679352	/nfs/dbraw/zinc/67/93/52/928679352.db2.gz	CFCGJESVUIOIID-ZJOUEHCJSA-N	1	0	372.465	1.921	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(OC)o2)[C@@H](n2ccnn2)C1	ZINC001129342536	928868701	/nfs/dbraw/zinc/86/87/01/928868701.db2.gz	PXHQIVCFIOZPMR-KFWWJZLASA-N	1	0	359.430	1.890	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(OC)o2)[C@@H](n2ccnn2)C1	ZINC001129342537	928869632	/nfs/dbraw/zinc/86/96/32/928869632.db2.gz	PXHQIVCFIOZPMR-ZNMIVQPWSA-N	1	0	359.430	1.890	20	30		FDEDRO
C#CCCN1CCC[C@@H]([NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)C1=O	ZINC001169743182	928880209	/nfs/dbraw/zinc/88/02/09/928880209.db2.gz	GQPMDTOBLLLNNU-RTBURBONSA-N	1	0	353.466	1.895	20	30		FDEDRO
C=CCCC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)CC2=O)C1	ZINC001108545635	928905509	/nfs/dbraw/zinc/90/55/09/928905509.db2.gz	ADBNYBDELZCFEZ-SFNKJDCFSA-N	1	0	357.498	1.956	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2oc(CC)nc2C)[C@@H](n2ccnn2)C1	ZINC001129366316	929282049	/nfs/dbraw/zinc/28/20/49/929282049.db2.gz	ORQRPYUCFQZLNG-CABCVRRESA-N	1	0	358.446	1.758	20	30		FDEDRO
N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCOCC(F)(F)F	ZINC001108951628	929567071	/nfs/dbraw/zinc/56/70/71/929567071.db2.gz	BCUYGMPKPXPZQE-AGIUHOORSA-N	1	0	365.421	1.934	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c(=O)[nH]c(C)cn3n1)C2	ZINC001109560707	929763413	/nfs/dbraw/zinc/76/34/13/929763413.db2.gz	NIINOJBYMSGYFT-YCPHGPKFSA-N	1	0	355.442	1.632	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C2	ZINC001109561970	929779653	/nfs/dbraw/zinc/77/96/53/929779653.db2.gz	WQIAVYICSQCSKO-QYZOEREBSA-N	1	0	374.529	1.112	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3ccnc3)nc1)C2	ZINC001109582115	929837694	/nfs/dbraw/zinc/83/76/94/929837694.db2.gz	GSDHMAUZRLGLLS-SQNIBIBYSA-N	1	0	367.453	1.805	20	30		FDEDRO
COC(=O)C[C@]1([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CCCOC1	ZINC000770703723	930215372	/nfs/dbraw/zinc/21/53/72/930215372.db2.gz	ZCQSUJPUALXCCC-VQIMIIECSA-N	1	0	362.426	1.194	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2	ZINC001109724384	930227325	/nfs/dbraw/zinc/22/73/25/930227325.db2.gz	PUJXKHYWYRKIQC-YVSFHVDLSA-N	1	0	362.518	1.131	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c(=O)[nH]c3ccccc31)C2	ZINC001109764798	930360614	/nfs/dbraw/zinc/36/06/14/930360614.db2.gz	KTMMNMRFNYHACO-HFTRVMKXSA-N	1	0	370.453	1.666	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1C(=O)CNC1=O	ZINC001109768041	930367845	/nfs/dbraw/zinc/36/78/45/930367845.db2.gz	WKRGHMNENINXTO-ILXRZTDVSA-N	1	0	362.474	1.252	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCN(C)S1(=O)=O)C2	ZINC001109826467	930530449	/nfs/dbraw/zinc/53/04/49/930530449.db2.gz	JNVOHTZKNMDXQB-LTIDMASMSA-N	1	0	371.547	1.712	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCN(C)S1(=O)=O)C2	ZINC001109823446	930544987	/nfs/dbraw/zinc/54/49/87/930544987.db2.gz	WNZWUQWIBUOQBA-QZWWFDLISA-N	1	0	369.531	1.488	20	30		FDEDRO
CN(CC[N@H+](C)C1CC1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N	ZINC000771351009	930609631	/nfs/dbraw/zinc/60/96/31/930609631.db2.gz	FCJCWPLUPRGKNR-HIFRSBDPSA-N	1	0	365.478	1.481	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@H]([NH2+]CCCC#N)C[C@H]1C(=O)N1CCSC1	ZINC001170026798	930650787	/nfs/dbraw/zinc/65/07/87/930650787.db2.gz	NOJSJDFODLXVCN-KGLIPLIRSA-N	1	0	368.503	1.791	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCC(=O)NC1=O)C2	ZINC001109934190	930801608	/nfs/dbraw/zinc/80/16/08/930801608.db2.gz	SWPURFVSESCVFM-PMPSAXMXSA-N	1	0	362.474	1.396	20	30		FDEDRO
COC(=O)C1=NOC2(C1)CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2	ZINC000771778836	930879659	/nfs/dbraw/zinc/87/96/59/930879659.db2.gz	IWPBQYUIQOVHCA-CXAGYDPISA-N	1	0	364.446	1.213	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCCC(N)=O)C3)c1	ZINC001109955269	930902070	/nfs/dbraw/zinc/90/20/70/930902070.db2.gz	OHMAAMKAAKVWMB-SQNIBIBYSA-N	1	0	354.454	1.825	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCOC1CCOCC1)C2	ZINC001109958121	930909413	/nfs/dbraw/zinc/90/94/13/930909413.db2.gz	XTYGQARPTWPKJA-NJAFHUGGSA-N	1	0	352.475	1.496	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](O)COCC(C)C)nc1	ZINC001109998257	930996116	/nfs/dbraw/zinc/99/61/16/930996116.db2.gz	PTROKRPMBYNNBZ-JYBIWHBTSA-N	1	0	371.481	1.432	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOC[C@@H]2CCCO2)nc1	ZINC001109998380	930996389	/nfs/dbraw/zinc/99/63/89/930996389.db2.gz	WECLVWZAWUVODN-UMGGQSCQSA-N	1	0	369.465	1.594	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)N[C@H](C)Cc2ccccc2C)CC1	ZINC000772111013	931079797	/nfs/dbraw/zinc/07/97/97/931079797.db2.gz	YKRFABVWWGZVPS-QGZVFWFLSA-N	1	0	356.466	1.931	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCCCc2nc(-c3ccncc3)no2)CC1	ZINC000772114547	931081597	/nfs/dbraw/zinc/08/15/97/931081597.db2.gz	PIVXVAPSYNGLKN-UHFFFAOYSA-N	1	0	354.410	1.953	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000772114116	931082092	/nfs/dbraw/zinc/08/20/92/931082092.db2.gz	KSWDYJFSGNHGJW-UHFFFAOYSA-N	1	0	359.382	1.446	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CO[C@H](C)c1nccn1C)C2	ZINC001110043167	931221296	/nfs/dbraw/zinc/22/12/96/931221296.db2.gz	YNALTHBYNDZNQK-NCOADZHNSA-N	1	0	362.474	1.422	20	30		FDEDRO
C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCn2cncn2)CCOCC1	ZINC001110047309	931248535	/nfs/dbraw/zinc/24/85/35/931248535.db2.gz	ZNWGONJEUVECFZ-IKGGRYGDSA-N	1	0	359.474	1.373	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@]1(C)CCCS1(=O)=O)C2	ZINC001112543930	931414675	/nfs/dbraw/zinc/41/46/75/931414675.db2.gz	DWPYDVXGBGIZNO-JQHSSLGASA-N	1	0	354.516	1.748	20	30		FDEDRO
Cn1ncc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC#Cc3ccccc3)C2)n1	ZINC001112544805	931421353	/nfs/dbraw/zinc/42/13/53/931421353.db2.gz	XPRCKQTWKSNNLV-RXVVDRJESA-N	1	0	363.465	1.699	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn3nc(C)cc3[nH]c1=O)C2	ZINC001112545306	931428109	/nfs/dbraw/zinc/42/81/09/931428109.db2.gz	ARJZSEYAPIGQJV-YWZLYKJASA-N	1	0	369.469	1.739	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)NC(=O)CC1CCCC1)C2	ZINC001112546129	931435132	/nfs/dbraw/zinc/43/51/32/931435132.db2.gz	VDGYDIJCXRPJMA-MDKPJZGXSA-N	1	0	359.514	1.923	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NCc1ccccc1C[NH+](CC)CC)[C@@H]1CCCO1	ZINC000785574639	931515310	/nfs/dbraw/zinc/51/53/10/931515310.db2.gz	PXPXIAJCPNUNRP-OALUTQOASA-N	1	0	371.481	1.442	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccnc(NC(C)=O)c1)C2	ZINC001112549573	931517093	/nfs/dbraw/zinc/51/70/93/931517093.db2.gz	GURXDDGESMQVBT-PXNSSMCTSA-N	1	0	354.454	1.895	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CCCO1	ZINC000785581248	931518019	/nfs/dbraw/zinc/51/80/19/931518019.db2.gz	UHBZNZFRMORMNC-OALUTQOASA-N	1	0	369.465	1.196	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cncc(OCCOC)c1)C2	ZINC001112554562	931520096	/nfs/dbraw/zinc/52/00/96/931520096.db2.gz	YBXJNESXRUHZEF-RXVVDRJESA-N	1	0	371.481	1.962	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C1CC1)C1CC1)C2	ZINC001112560352	931571707	/nfs/dbraw/zinc/57/17/07/931571707.db2.gz	SVUUKGCUQBWWMM-QRFQSNJMSA-N	1	0	371.525	1.779	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c3c(nn1C)CCC3)C2	ZINC001112562326	931593309	/nfs/dbraw/zinc/59/33/09/931593309.db2.gz	RYKXLOVOAUPVGX-KKSFZXQISA-N	1	0	370.497	1.391	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(N(C)C)nn1)C2	ZINC001112564718	931609414	/nfs/dbraw/zinc/60/94/14/931609414.db2.gz	MJEJQPOYVLZCHB-JXFKEZNVSA-N	1	0	371.485	1.024	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@@H](CC)C(N)=O)C2)nc1	ZINC001112565912	931615099	/nfs/dbraw/zinc/61/50/99/931615099.db2.gz	YYJAQKYEKNDHML-FTRWYGJKSA-N	1	0	354.454	1.159	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnn(C)c1OC)C2	ZINC001112570268	931650145	/nfs/dbraw/zinc/65/01/45/931650145.db2.gz	NWLJJOLMQRDSBQ-KXBFYZLASA-N	1	0	362.474	1.463	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc3c(cn1)nc[nH]c3=O)C2	ZINC001112570737	931652542	/nfs/dbraw/zinc/65/25/42/931652542.db2.gz	MLIMBWRUEYBYQW-DJJJIMSYSA-N	1	0	351.410	1.196	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]C[C@H](C)O)C2)CCOCC1	ZINC001112571409	931654340	/nfs/dbraw/zinc/65/43/40/931654340.db2.gz	UYVDBVSDJPRGFC-ZWOKBUDYSA-N	1	0	350.503	1.958	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1ccc(F)cc1)C2	ZINC001112572195	931665977	/nfs/dbraw/zinc/66/59/77/931665977.db2.gz	KFRIJAVIXFSNQX-UWJYYQICSA-N	1	0	371.456	1.336	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCNC(=O)c1ccco1)C2	ZINC001112574977	931699598	/nfs/dbraw/zinc/69/95/98/931699598.db2.gz	LRQNRHMLRAGYMI-JXFKEZNVSA-N	1	0	357.454	1.641	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1C(=O)CNC1=O)C2	ZINC001112575173	931700287	/nfs/dbraw/zinc/70/02/87/931700287.db2.gz	WCFUGXAGLYERTA-VCBZYWHSSA-N	1	0	362.474	1.111	20	30		FDEDRO
Cc1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)c(C)n1C	ZINC001112575559	931704284	/nfs/dbraw/zinc/70/42/84/931704284.db2.gz	PVZRRTVKPGAWBM-JXFKEZNVSA-N	1	0	371.485	1.114	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CCN(C(N)=O)CC1)C2	ZINC001112576137	931708363	/nfs/dbraw/zinc/70/83/63/931708363.db2.gz	XDJRWJORQVFREX-PXNSSMCTSA-N	1	0	362.518	1.962	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c[nH]cc1C)C2	ZINC001112578227	931734070	/nfs/dbraw/zinc/73/40/70/931734070.db2.gz	FCKVABUJTOYQBB-FTRWYGJKSA-N	1	0	358.486	1.846	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)c1cc(C)oc1C)C2	ZINC001112580851	931762416	/nfs/dbraw/zinc/76/24/16/931762416.db2.gz	JMOQQMIQMBXZKY-UWJYYQICSA-N	1	0	371.481	1.868	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C(C)C)C1	ZINC001112585537	931765614	/nfs/dbraw/zinc/76/56/14/931765614.db2.gz	DMCPYZDMTQEYBK-KXBFYZLASA-N	1	0	350.507	1.877	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCCN1C(=O)C(C)C)C2	ZINC001112584259	931782848	/nfs/dbraw/zinc/78/28/48/931782848.db2.gz	JEKHYDMXQBPCCD-UEXGIBASSA-N	1	0	359.514	1.875	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccnc1OCCOC)C2	ZINC001112585068	931787896	/nfs/dbraw/zinc/78/78/96/931787896.db2.gz	YERAVKFQYOTKGY-JXFKEZNVSA-N	1	0	357.454	1.572	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)NC(=O)NCCC)C2	ZINC001112585290	931790222	/nfs/dbraw/zinc/79/02/22/931790222.db2.gz	NUWJGKLDTOPCQE-JXFKEZNVSA-N	1	0	362.518	1.716	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCc2cnn(C)c2)C1	ZINC001112588714	931798512	/nfs/dbraw/zinc/79/85/12/931798512.db2.gz	QNGDXFIBPMCMGC-ICSRJNTNSA-N	1	0	360.502	1.774	20	30		FDEDRO
CC(C)OCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1	ZINC001112590995	931818920	/nfs/dbraw/zinc/81/89/20/931818920.db2.gz	CSAWKHHHBPOYEG-LPHOPBHVSA-N	1	0	364.490	1.050	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCN1C(N)=O)C2	ZINC001112591214	931819142	/nfs/dbraw/zinc/81/91/42/931819142.db2.gz	PNIWDILINKVPDY-ZQIUZPCESA-N	1	0	354.882	1.500	20	30		FDEDRO
N#Cc1cccc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)CCCC(N)=O)C3)c1	ZINC001112592149	931824866	/nfs/dbraw/zinc/82/48/66/931824866.db2.gz	YWYBHXLXCNRJFW-RXVVDRJESA-N	1	0	368.481	1.932	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccnc(-n3cncn3)c1)C2	ZINC001112590949	931841018	/nfs/dbraw/zinc/84/10/18/931841018.db2.gz	ZTLIKTRSHCMUGE-PXNSSMCTSA-N	1	0	364.453	1.518	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3ccccc3)n1)C2	ZINC001110080579	931883386	/nfs/dbraw/zinc/88/33/86/931883386.db2.gz	HREPNXWVQKWLQQ-AOIWGVFYSA-N	1	0	367.453	1.805	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(NC(N)=O)c1)C2	ZINC001110080704	931890228	/nfs/dbraw/zinc/89/02/28/931890228.db2.gz	LUHOAXOPIGSVKG-IKGGRYGDSA-N	1	0	358.442	1.715	20	30		FDEDRO
C[C@@H]([NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1)C(=O)NC1(C#N)CCC1	ZINC000787293679	932246391	/nfs/dbraw/zinc/24/63/91/932246391.db2.gz	JILDYVCPQNDOKF-CHWSQXEVSA-N	1	0	364.471	1.660	20	30		FDEDRO
COc1ccc(CNC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)cc1C#N	ZINC000787294526	932246487	/nfs/dbraw/zinc/24/64/87/932246487.db2.gz	SWEPOYMXSXCYKC-OAHLLOKOSA-N	1	0	372.469	1.962	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)n1	ZINC000788593318	932748880	/nfs/dbraw/zinc/74/88/80/932748880.db2.gz	WQRLGOWXDSXIIK-QGZVFWFLSA-N	1	0	361.490	1.405	20	30		FDEDRO
COc1ccc(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1C#N	ZINC000746774729	932891302	/nfs/dbraw/zinc/89/13/02/932891302.db2.gz	AYKGYFXQASGTLG-MSOLQXFVSA-N	1	0	372.469	1.744	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)NCCCC[NH+]2CCN(C)CC2)n1	ZINC000789032092	932920382	/nfs/dbraw/zinc/92/03/82/932920382.db2.gz	VLGVEEBAWADJOH-UHFFFAOYSA-N	1	0	360.506	1.075	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)n1	ZINC000789074430	932925474	/nfs/dbraw/zinc/92/54/74/932925474.db2.gz	FLJVWODJFDDNOH-DOTOQJQBSA-N	1	0	359.474	1.300	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CC[C@H](OCC[NH+](CC)CC)C2)c1	ZINC000746815267	933047178	/nfs/dbraw/zinc/04/71/78/933047178.db2.gz	YZOJXRHVVMLWHK-SFHVURJKSA-N	1	0	357.454	1.566	20	30		FDEDRO
N#Cc1ccccc1COc1cccc(C[NH2+]C[C@@H]2CC(C(N)=O)=NO2)c1	ZINC000789562504	933106620	/nfs/dbraw/zinc/10/66/20/933106620.db2.gz	XVAFAYQFNRKPNM-SFHVURJKSA-N	1	0	364.405	1.857	20	30		FDEDRO
C#CCN(CC#CC)C(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C	ZINC000789769724	933171821	/nfs/dbraw/zinc/17/18/21/933171821.db2.gz	PYROEVIZNOEFHA-QGZVFWFLSA-N	1	0	353.422	1.495	20	30		FDEDRO
C=CCCCCC[NH+]1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CC1	ZINC001113120664	933187967	/nfs/dbraw/zinc/18/79/67/933187967.db2.gz	IFTIPFSPGSCBRQ-SJORKVTESA-N	1	0	351.491	1.690	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2COCCN2C)C1	ZINC001086584264	933467267	/nfs/dbraw/zinc/46/72/67/933467267.db2.gz	NLCJVKUXTHLCDU-XUVXKRRUSA-N	1	0	357.498	1.867	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnc3n2CCOC3)C1	ZINC001086593809	933845926	/nfs/dbraw/zinc/84/59/26/933845926.db2.gz	PHYYCYDQYFBNFE-ZWKOTPCHSA-N	1	0	364.449	1.634	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2cc(C)nn2C)C1	ZINC001086599328	934028067	/nfs/dbraw/zinc/02/80/67/934028067.db2.gz	IWHNDHKLZUSNPO-VQTJNVASSA-N	1	0	350.466	1.879	20	30		FDEDRO
C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2cc(CC)nn2C)C1	ZINC001086600884	934080566	/nfs/dbraw/zinc/08/05/66/934080566.db2.gz	URLPSGNYNJEATL-VQTJNVASSA-N	1	0	350.466	1.742	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCOCC(F)(F)F)C[C@H]2O)cc1	ZINC001195205565	970765193	/nfs/dbraw/zinc/76/51/93/970765193.db2.gz	UIFFUVGPVGCHKE-HZPDHXFCSA-N	1	0	370.371	1.412	20	30		FDEDRO
C[N@@H+]1CC[C@]2(CCN(CN3C(=O)N[C@](C)(c4cccc(C#N)c4)C3=O)C2)C1	ZINC000793762998	934251092	/nfs/dbraw/zinc/25/10/92/934251092.db2.gz	CKUSPAYBWBXFLK-UXHICEINSA-N	1	0	367.453	1.310	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCc1cc(C#N)ccc1F	ZINC000793901640	938334271	/nfs/dbraw/zinc/33/42/71/938334271.db2.gz	NRNDGNQBLKNBBT-ZIAGYGMSSA-N	1	0	360.433	1.550	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCCN2C(N)=O)C1	ZINC001086619179	938353982	/nfs/dbraw/zinc/35/39/82/938353982.db2.gz	CKXRSXCEKXGFNZ-OTWHNJEPSA-N	1	0	368.481	1.527	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2Cc3cccnc3C2)[C@@H](n2ccnn2)C1	ZINC001129406885	938404383	/nfs/dbraw/zinc/40/43/83/938404383.db2.gz	BHLRUTZNLQEPIJ-UHOSZYNNSA-N	1	0	366.469	1.396	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2cncn2C)[C@@H](n2ccnn2)C1	ZINC001129412799	938408479	/nfs/dbraw/zinc/40/84/79/938408479.db2.gz	XHPYFAJQFSKRKD-NXHRZFHOSA-N	1	0	371.489	1.341	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2[nH]cnc2C)[C@@H](n2ccnn2)C1	ZINC001129403558	938416708	/nfs/dbraw/zinc/41/67/08/938416708.db2.gz	CQIDNWBGODGGPJ-XYPHTWIQSA-N	1	0	357.462	1.249	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)CN(CC)c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129449763	938420337	/nfs/dbraw/zinc/42/03/37/938420337.db2.gz	YCTPFIAKWYUCCR-MOPGFXCFSA-N	1	0	368.485	1.722	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1	ZINC001086622671	938422093	/nfs/dbraw/zinc/42/20/93/938422093.db2.gz	LAGDMOHRZCXFSQ-FUHWJXTLSA-N	1	0	350.422	1.001	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C)C[C@@H]1n1ccnn1	ZINC001129482563	938435074	/nfs/dbraw/zinc/43/50/74/938435074.db2.gz	ZMKDTLLWTMILJW-UHOSZYNNSA-N	1	0	369.469	1.719	20	30		FDEDRO
CC(C)(C)CC[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@@H]1n1ccnn1	ZINC001129603823	938462927	/nfs/dbraw/zinc/46/29/27/938462927.db2.gz	LKGZMDVCKUXASV-KGLIPLIRSA-N	1	0	350.492	1.313	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CCCCCF)[C@@H](n2ccnn2)C1	ZINC001129675641	938490310	/nfs/dbraw/zinc/49/03/10/938490310.db2.gz	VOHSPLDSCANHIC-BBWFWOEESA-N	1	0	367.469	1.741	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2noc3c2COCC3)C1	ZINC001086624873	938499692	/nfs/dbraw/zinc/49/96/92/938499692.db2.gz	YSAZVHJYLLNULC-FUHWJXTLSA-N	1	0	365.433	1.968	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCOC2)[C@@H](n2ccnn2)C1	ZINC001129756941	938501965	/nfs/dbraw/zinc/50/19/65/938501965.db2.gz	OCEIWMNPYXWYEQ-KSZLIROESA-N	1	0	359.474	1.240	20	30		FDEDRO
CCCCCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1n1ccnn1	ZINC001129762811	938503368	/nfs/dbraw/zinc/50/33/68/938503368.db2.gz	PVQSVQSGJHBKNS-SJORKVTESA-N	1	0	355.446	1.713	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccc(F)cn2)C[C@@H]1n1ccnn1	ZINC001129763388	938503625	/nfs/dbraw/zinc/50/36/25/938503625.db2.gz	ZUOMVARIMNNCIT-XKQJLSEDSA-N	1	0	358.421	1.822	20	30		FDEDRO
CO[C@H](C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1n1ccnn1)C1CCCC1	ZINC001129816637	938520765	/nfs/dbraw/zinc/52/07/65/938520765.db2.gz	GGLRUDIJSSBQBB-CEXWTWQISA-N	1	0	371.485	1.238	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H]([NH2+]CC2CC(F)(F)C2)[C@@H](n2ccnn2)C1	ZINC001129822262	938522151	/nfs/dbraw/zinc/52/21/51/938522151.db2.gz	NDVMJSGZXWGXNH-CABCVRRESA-N	1	0	351.401	1.324	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCO[C@H](C)CC(C)C)C[C@@H]1n1ccnn1	ZINC001129845692	938525695	/nfs/dbraw/zinc/52/56/95/938525695.db2.gz	SAUDQKZILKUJHM-KURKYZTESA-N	1	0	361.490	1.484	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccnn2C2CCC2)C[C@@H]1n1ccnn1	ZINC001129855051	938528379	/nfs/dbraw/zinc/52/83/79/938528379.db2.gz	FYXJAYPHLNDZJU-AEFFLSMTSA-N	1	0	369.473	1.821	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccnn2C2CCC2)C[C@@H]1n1ccnn1	ZINC001129856152	938529065	/nfs/dbraw/zinc/52/90/65/938529065.db2.gz	YOIPDOSVINMVKN-WBVHZDCISA-N	1	0	355.446	1.431	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCc3nncn3C2)C1	ZINC001086625696	938533753	/nfs/dbraw/zinc/53/37/53/938533753.db2.gz	RTHCSBRUESNNHL-GBESFXJTSA-N	1	0	363.465	1.448	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H]([NH2+]CCCCCCC)[C@@H](n2ccnn2)C1	ZINC001129837693	938535070	/nfs/dbraw/zinc/53/50/70/938535070.db2.gz	JRAQRRXFUNMWJV-MSOLQXFVSA-N	1	0	361.490	1.630	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H]([NH2+]Cc2cnc(C)s2)[C@@H](n2ccnn2)C1	ZINC001129879094	938536513	/nfs/dbraw/zinc/53/65/13/938536513.db2.gz	RKIOOJSURDAXIE-CVEARBPZSA-N	1	0	360.487	1.941	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2C=CC=CC=C2)C[C@@H]1n1ccnn1	ZINC001129884714	938538921	/nfs/dbraw/zinc/53/89/21/938538921.db2.gz	RZEYXWGCVQENHC-MSOLQXFVSA-N	1	0	355.442	1.121	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H]([NH2+]C[C@@H](CC)OC)[C@@H](n2ccnn2)C1	ZINC001129867854	938544227	/nfs/dbraw/zinc/54/42/27/938544227.db2.gz	YWZFESGOUDPCIW-KURKYZTESA-N	1	0	361.490	1.813	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H]([NH2+]CCOCC(F)F)[C@@H](n2ccnn2)C1	ZINC001129876662	938546955	/nfs/dbraw/zinc/54/69/55/938546955.db2.gz	VNKMKKYBRXQFFM-KGLIPLIRSA-N	1	0	371.432	1.504	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(F)cn2)C[C@@H]1n1ccnn1	ZINC001129912471	938551207	/nfs/dbraw/zinc/55/12/07/938551207.db2.gz	IKBJBDSRHZGAQX-SJORKVTESA-N	1	0	358.421	1.363	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2cccc(CC)c2)C[C@@H]1n1ccnn1	ZINC001129912398	938551265	/nfs/dbraw/zinc/55/12/65/938551265.db2.gz	CVTLCZMDRZSZJB-MOPGFXCFSA-N	1	0	351.454	1.448	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3ccccc32)C[C@@H]1n1ccnn1	ZINC001129912731	938551600	/nfs/dbraw/zinc/55/16/00/938551600.db2.gz	XPBHAOQYNNFUTB-AQNXPRMDSA-N	1	0	363.465	1.763	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cncc(OC)c2C)C[C@@H]1n1ccnn1	ZINC001129914841	938552825	/nfs/dbraw/zinc/55/28/25/938552825.db2.gz	JRPFGNRHVSVDCB-SJORKVTESA-N	1	0	370.457	1.612	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)C2CC2)C[C@@H]1n1ccnn1	ZINC001129934323	938563647	/nfs/dbraw/zinc/56/36/47/938563647.db2.gz	ZNWBMKHKNOMUEN-HSALFYBXSA-N	1	0	363.465	1.837	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@@H]1n1ccnn1	ZINC001129918568	938567243	/nfs/dbraw/zinc/56/72/43/938567243.db2.gz	FDNWWFSZPFGWCL-XKQJLSEDSA-N	1	0	369.473	1.500	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2nc(C)c(C)nc2C)C[C@@H]1n1ccnn1	ZINC001129928843	938572216	/nfs/dbraw/zinc/57/22/16/938572216.db2.gz	PLAYNDCNZUHVPP-SJORKVTESA-N	1	0	369.473	1.615	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccccc2CCC)C[C@@H]1n1ccnn1	ZINC001129928820	938572235	/nfs/dbraw/zinc/57/22/35/938572235.db2.gz	OGPCXYCZJZSOOW-MOPGFXCFSA-N	1	0	351.454	1.909	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2nc3cnccc3s2)C[C@@H]1n1ccnn1	ZINC001129928977	938572586	/nfs/dbraw/zinc/57/25/86/938572586.db2.gz	XXBDNVKYIREFEU-KGLIPLIRSA-N	1	0	369.454	1.514	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c(C)nn(C)c2C)C[C@@H]1n1ccnn1	ZINC001129949054	938573881	/nfs/dbraw/zinc/57/38/81/938573881.db2.gz	MODHHDCDCQHMIP-CVEARBPZSA-N	1	0	357.462	1.250	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cccc3cn[nH]c32)C[C@@H]1n1ccnn1	ZINC001129951914	938574974	/nfs/dbraw/zinc/57/49/74/938574974.db2.gz	ARZXJUUUQOOESH-SJORKVTESA-N	1	0	365.441	1.776	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](OCC)C2CCCC2)C[C@@H]1n1ccnn1	ZINC001129956843	938577280	/nfs/dbraw/zinc/57/72/80/938577280.db2.gz	PPKBWYXFUFQRMX-FGTMMUONSA-N	1	0	359.474	1.238	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H]([NH2+]Cc2cnn(C)c2)[C@@H](n2ccnn2)C1	ZINC001129959362	938577979	/nfs/dbraw/zinc/57/79/79/938577979.db2.gz	SKUPKFJCCFIUOL-MSOLQXFVSA-N	1	0	369.473	1.137	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC2(C)C)C[C@@H]1n1ccnn1	ZINC001129961187	938578476	/nfs/dbraw/zinc/57/84/76/938578476.db2.gz	CEGIUHQVYREDRS-BBWFWOEESA-N	1	0	361.490	1.649	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnc3ccsc3c2)C[C@@H]1n1ccnn1	ZINC001129964006	938579593	/nfs/dbraw/zinc/57/95/93/938579593.db2.gz	RGIVPKGEKUKZNT-CVEARBPZSA-N	1	0	366.450	1.566	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)COCC(F)F)C[C@@H]1n1ccnn1	ZINC001129948077	938582606	/nfs/dbraw/zinc/58/26/06/938582606.db2.gz	YGUVHKRUGUGCMO-OLZOCXBDSA-N	1	0	357.405	1.114	20	30		FDEDRO
CCCC(CCC)C(=O)N1C[C@@H]([NH2+]CC#CCOC)[C@@H](n2ccnn2)C1	ZINC001129985059	938592723	/nfs/dbraw/zinc/59/27/23/938592723.db2.gz	NOHUOAUYVANJOD-MSOLQXFVSA-N	1	0	361.490	1.486	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCCC2(F)F)C[C@@H]1n1ccnn1	ZINC001129977819	938593058	/nfs/dbraw/zinc/59/30/58/938593058.db2.gz	HGEJJHRZDQAMQY-KFWWJZLASA-N	1	0	351.401	1.468	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2ccoc2C2CC2)C[C@@H]1n1ccnn1	ZINC001129982250	938596851	/nfs/dbraw/zinc/59/68/51/938596851.db2.gz	AKYBEHGZFVCMBA-SJORKVTESA-N	1	0	369.425	1.054	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2c(F)cccc2F)C[C@@H]1n1ccnn1	ZINC001129983191	938597904	/nfs/dbraw/zinc/59/79/04/938597904.db2.gz	QTWWOBSUPJVSHN-SJORKVTESA-N	1	0	361.396	1.717	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2cc(F)ccc2F)C[C@@H]1n1ccnn1	ZINC001129983365	938598419	/nfs/dbraw/zinc/59/84/19/938598419.db2.gz	ZEPVJKTYXKDZHK-SJORKVTESA-N	1	0	361.396	1.717	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]([NH2+]C[C@H](C)CC)[C@@H](n3ccnn3)C2)c1	ZINC001129997171	938605226	/nfs/dbraw/zinc/60/52/26/938605226.db2.gz	BHWOQVFWBGNAMA-OLMNPRSZSA-N	1	0	352.442	1.356	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCc3ccccc3OC2)CC1	ZINC000804891898	938610966	/nfs/dbraw/zinc/61/09/66/938610966.db2.gz	KFCMGVJNYXXSGK-QGZVFWFLSA-N	1	0	357.454	1.263	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCc2cnc(C)s2)CC1	ZINC000804894589	938610999	/nfs/dbraw/zinc/61/09/99/938610999.db2.gz	KKFJDGVGNQNGPL-UHFFFAOYSA-N	1	0	350.488	1.267	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2(C)CCCCC2)C[C@@H]1n1ccnn1	ZINC001129988453	938611504	/nfs/dbraw/zinc/61/15/04/938611504.db2.gz	SAVLAHZOHKASSV-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2cc(C#N)ccc2F)CC1	ZINC000804898744	938611874	/nfs/dbraw/zinc/61/18/74/938611874.db2.gz	PJXKPZKACHTFBB-UHFFFAOYSA-N	1	0	358.417	1.470	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@@H]1n1ccnn1	ZINC001130015187	938616615	/nfs/dbraw/zinc/61/66/15/938616615.db2.gz	MHWQINKIDGCCMS-MOPGFXCFSA-N	1	0	351.454	1.611	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3ccccc3C2)C[C@@H]1n1ccnn1	ZINC001130020515	938619271	/nfs/dbraw/zinc/61/92/71/938619271.db2.gz	KNYBXNWEEIITRD-ZCNNSNEGSA-N	1	0	363.465	1.448	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@@H]1n1ccnn1	ZINC001130008070	938625278	/nfs/dbraw/zinc/62/52/78/938625278.db2.gz	WONGQNKOZBLRHF-KGLIPLIRSA-N	1	0	369.416	1.258	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)C=CCC3)C[C@@H]1n1ccnn1	ZINC001130040700	938626981	/nfs/dbraw/zinc/62/69/81/938626981.db2.gz	HUUDWCIRGAGAGG-UXHICEINSA-N	1	0	361.449	1.916	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCn2nc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001130026562	938629482	/nfs/dbraw/zinc/62/94/82/938629482.db2.gz	ULOHPKWUGRUZSL-SJORKVTESA-N	1	0	357.462	1.099	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2C)C[C@@H]1n1ccnn1	ZINC001130034302	938634663	/nfs/dbraw/zinc/63/46/63/938634663.db2.gz	LREOSKBBGKUKQO-NMLBUPMWSA-N	1	0	363.465	1.755	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2c(C)n[nH]c2C)C[C@@H]1n1ccnn1	ZINC001130043822	938642596	/nfs/dbraw/zinc/64/25/96/938642596.db2.gz	BHBURTYJVUBOBG-WQVCFCJDSA-N	1	0	357.462	1.628	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(CCC)on2)C[C@@H]1n1ccnn1	ZINC001130062783	938650961	/nfs/dbraw/zinc/65/09/61/938650961.db2.gz	XMYYXYRHGTWDIZ-SJORKVTESA-N	1	0	358.446	1.840	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(CC)c[nH]c2=O)C[C@@H]1n1ccnn1	ZINC001130066546	938654940	/nfs/dbraw/zinc/65/49/40/938654940.db2.gz	DKVNFDDKUQVBQH-SJORKVTESA-N	1	0	370.457	1.563	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccc(OC)nn2)C[C@@H]1n1ccnn1	ZINC001130070840	938657905	/nfs/dbraw/zinc/65/79/05/938657905.db2.gz	IQMCHSFBPNUAPB-BMFZPTHFSA-N	1	0	371.445	1.087	20	30		FDEDRO
CCC[NH+](CCC)CCCC(=O)N1C[C@@H](NCC#N)[C@@H](n2ccnn2)C1	ZINC001130083997	938665587	/nfs/dbraw/zinc/66/55/87/938665587.db2.gz	TVLONZCLRIBMQA-SJORKVTESA-N	1	0	361.494	1.045	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ncoc2C(C)(C)C)C[C@@H]1n1ccnn1	ZINC001130079568	938672808	/nfs/dbraw/zinc/67/28/08/938672808.db2.gz	PGTDANJWQYYUTJ-KGLIPLIRSA-N	1	0	358.446	1.795	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130088924	938675523	/nfs/dbraw/zinc/67/55/23/938675523.db2.gz	PERCAYNKEPWDME-UHOSZYNNSA-N	1	0	369.469	1.626	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+][C@@H](C)CCC=C)[C@@H](n3ccnn3)C2)cn1	ZINC001130091151	938676330	/nfs/dbraw/zinc/67/63/30/938676330.db2.gz	CRHNXBHMVQPACK-IPELMVKDSA-N	1	0	364.453	1.664	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]CCCC=C)[C@@H](n3ccnn3)C2)cn1	ZINC001130091142	938676343	/nfs/dbraw/zinc/67/63/43/938676343.db2.gz	CHVDQCLXCPBQAN-MSOLQXFVSA-N	1	0	350.426	1.276	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001130091184	938676361	/nfs/dbraw/zinc/67/63/61/938676361.db2.gz	FBSHERQDTTZWPM-MSOLQXFVSA-N	1	0	369.444	1.760	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001130091182	938676503	/nfs/dbraw/zinc/67/65/03/938676503.db2.gz	DZOZOXPVGDUJDQ-UHOSZYNNSA-N	1	0	351.454	1.755	20	30		FDEDRO
CCCCCCCCCC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1	ZINC001130099949	938682544	/nfs/dbraw/zinc/68/25/44/938682544.db2.gz	RQYHOTOYPDCNPQ-SJORKVTESA-N	1	0	351.495	1.753	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cncnc2C2CC2)C[C@@H]1n1ccnn1	ZINC001130107548	938687403	/nfs/dbraw/zinc/68/74/03/938687403.db2.gz	QRPIDRVELFBLJV-SJORKVTESA-N	1	0	367.457	1.567	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2CCC(C(F)F)CC2)C[C@@H]1n1ccnn1	ZINC001130109779	938688725	/nfs/dbraw/zinc/68/87/25/938688725.db2.gz	GRQZYSDCUUBYGQ-FJBKBRRZSA-N	1	0	365.428	1.714	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCOc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130111353	938690183	/nfs/dbraw/zinc/69/01/83/938690183.db2.gz	DXMJXOWNUSPRJG-MSOLQXFVSA-N	1	0	353.426	1.112	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001130112982	938692897	/nfs/dbraw/zinc/69/28/97/938692897.db2.gz	XNEJYMDGVKXGNK-QRQLOZEOSA-N	1	0	369.469	1.972	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c(C)n[nH]c2C)C[C@@H]1n1ccnn1	ZINC001130128071	938697970	/nfs/dbraw/zinc/69/79/70/938697970.db2.gz	ZBVSPCIEHZIZCI-XWIAVFTESA-N	1	0	371.489	1.414	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(OC)ccc2OC)C[C@@H]1n1ccnn1	ZINC001130122894	938705130	/nfs/dbraw/zinc/70/51/30/938705130.db2.gz	ABAGWMJSBZRUOV-SJORKVTESA-N	1	0	371.441	1.527	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2ccn(C)n2)C[C@@H]1n1ccnn1	ZINC001130123726	938705601	/nfs/dbraw/zinc/70/56/01/938705601.db2.gz	ZLBKBDOGMGYRSH-SJORKVTESA-N	1	0	357.462	1.413	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CN(CC)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130136951	938709491	/nfs/dbraw/zinc/70/94/91/938709491.db2.gz	ARGKTBUXQZDGMJ-MSOLQXFVSA-N	1	0	354.458	1.332	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2ccccc2C)[C@@H](n2ccnn2)C1	ZINC001130151220	938715676	/nfs/dbraw/zinc/71/56/76/938715676.db2.gz	JOEKHHDQWRZJQE-UHOSZYNNSA-N	1	0	369.469	1.719	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccc(F)s2)C[C@@H]1n1ccnn1	ZINC001130151360	938715964	/nfs/dbraw/zinc/71/59/64/938715964.db2.gz	NOXOVDDOYZYYBM-OLZOCXBDSA-N	1	0	365.434	1.337	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccccc2N(C)C)C[C@@H]1n1ccnn1	ZINC001130153254	938716865	/nfs/dbraw/zinc/71/68/65/938716865.db2.gz	GEKLXUTZVGRUIV-MJGOQNOKSA-N	1	0	368.485	1.966	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC23CCOCC3)C[C@@H]1n1ccnn1	ZINC001130158797	938720089	/nfs/dbraw/zinc/72/00/89/938720089.db2.gz	ROUBZLXGLSTXKH-ZACQAIPSSA-N	1	0	359.474	1.403	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CC2CCC(OC)CC2)C[C@@H]1n1ccnn1	ZINC001130163935	938722273	/nfs/dbraw/zinc/72/22/73/938722273.db2.gz	YRWBFJSNSOUVSX-HIEASXQVSA-N	1	0	361.490	1.791	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](OCC)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130148263	938722591	/nfs/dbraw/zinc/72/25/91/938722591.db2.gz	LULKCDOLOSQZCP-CEXWTWQISA-N	1	0	367.453	1.421	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccon2)[nH]1	ZINC001130186404	938731916	/nfs/dbraw/zinc/73/19/16/938731916.db2.gz	BLIYNHDAPKIGBE-JSGCOSHPSA-N	1	0	360.418	1.151	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)OCC)n1	ZINC001130187729	938733903	/nfs/dbraw/zinc/73/39/03/938733903.db2.gz	GIDJCWAMZLDMQP-AVGNSLFASA-N	1	0	371.869	1.061	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)SC)[nH]1	ZINC001130187835	938733909	/nfs/dbraw/zinc/73/39/09/938733909.db2.gz	MBBCUBYGEOFPDK-IHRRRGAJSA-N	1	0	367.519	1.601	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cncc(C)c2)[nH]1	ZINC001130195839	938738735	/nfs/dbraw/zinc/73/87/35/938738735.db2.gz	FUJNNZBVDBDZHF-HOTGVXAUSA-N	1	0	370.457	1.476	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cnccc2C)[nH]1	ZINC001130196188	938739603	/nfs/dbraw/zinc/73/96/03/938739603.db2.gz	VZOIBRBJTCTXKN-HOCLYGCPSA-N	1	0	370.457	1.476	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)C2CC2)n1	ZINC001130198505	938740518	/nfs/dbraw/zinc/74/05/18/938740518.db2.gz	NNTWYSLPXTYJKI-UBHSHLNASA-N	1	0	367.881	1.682	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CC(F)(F)C2)[nH]1	ZINC001130198678	938740985	/nfs/dbraw/zinc/74/09/85/938740985.db2.gz	VJYGEJGFKAVZFT-RYUDHWBXSA-N	1	0	355.389	1.114	20	30		FDEDRO
C#CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C[C@H](C)CC)[nH]1	ZINC001130210198	938748007	/nfs/dbraw/zinc/74/80/07/938748007.db2.gz	ZESQJVCIASRVCV-PMPSAXMXSA-N	1	0	361.490	1.733	20	30		FDEDRO
CC1CC(C[NH2+]C[C@@H]2OCC[C@@H]2c2nnc(CNC(=O)C#CC3CC3)[nH]2)C1	ZINC001130212874	938749989	/nfs/dbraw/zinc/74/99/89/938749989.db2.gz	ITSXZNPQIVOYAI-KMZOKZLKSA-N	1	0	371.485	1.343	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=CC2CC2)[nH]1	ZINC001130202699	938755012	/nfs/dbraw/zinc/75/50/12/938755012.db2.gz	FYUDWOHOXXOQLD-HABDOHHLSA-N	1	0	359.474	1.815	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CCCC2)[nH]1	ZINC001130202870	938755489	/nfs/dbraw/zinc/75/54/89/938755489.db2.gz	NBLSNONACQXEQS-QEJZJMRPSA-N	1	0	360.462	1.233	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c(C)cncc2C)[nH]1	ZINC001130223162	938757098	/nfs/dbraw/zinc/75/70/98/938757098.db2.gz	OYQVYKUDEFGHRG-GJZGRUSLSA-N	1	0	370.457	1.395	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](CCC)OC)[nH]1	ZINC001130225236	938759838	/nfs/dbraw/zinc/75/98/38/938759838.db2.gz	YPZYUYJVVPANAI-ZNMIVQPWSA-N	1	0	365.478	1.274	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC2CC(C)(C)C2)n1	ZINC001130229782	938763299	/nfs/dbraw/zinc/76/32/99/938763299.db2.gz	FQUQQCGODWPLAN-GJZGRUSLSA-N	1	0	359.474	1.343	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)co2)[nH]1	ZINC001130230171	938763969	/nfs/dbraw/zinc/76/39/69/938763969.db2.gz	PQZXPMHUAHGKBP-ZFWWWQNUSA-N	1	0	359.430	1.674	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C3CC3)CCC2)[nH]1	ZINC001130230531	938764292	/nfs/dbraw/zinc/76/42/92/938764292.db2.gz	YTCZXQVXWQVDAA-HOTGVXAUSA-N	1	0	371.485	1.487	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)[nH]1	ZINC001130232876	938765188	/nfs/dbraw/zinc/76/51/88/938765188.db2.gz	RPVWKTCERDMLSL-BPUTZDHNSA-N	1	0	361.490	1.895	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccnc2C)[nH]1	ZINC001130232689	938765198	/nfs/dbraw/zinc/76/51/98/938765198.db2.gz	NXLYFUPVBXGFKO-HOTGVXAUSA-N	1	0	370.457	1.476	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCOC)[nH]1	ZINC001130234724	938765901	/nfs/dbraw/zinc/76/59/01/938765901.db2.gz	JAKFXNXEOTYPET-SUNYJGFJSA-N	1	0	365.478	1.132	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@](C)(C=C)CC)[nH]1	ZINC001130234647	938765907	/nfs/dbraw/zinc/76/59/07/938765907.db2.gz	GCHOYGCFXGGTQS-YZVOILCLSA-N	1	0	359.474	1.509	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(CF)CCC2)n1	ZINC001130238200	938767753	/nfs/dbraw/zinc/76/77/53/938767753.db2.gz	YOWGBHKZOKQJNV-KBPBESRZSA-N	1	0	363.437	1.046	20	30		FDEDRO
C=CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@@H](C)COC)[nH]1	ZINC001130238178	938767888	/nfs/dbraw/zinc/76/78/88/938767888.db2.gz	XIMBQYCHKBTMCY-KKUMJFAQSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=CCC(C)(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)[nH]1	ZINC001130240526	938768418	/nfs/dbraw/zinc/76/84/18/938768418.db2.gz	SVTPAYSVCUBVCP-GJZGRUSLSA-N	1	0	361.490	1.895	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC[C@H](C)CC2)[nH]1	ZINC001130247002	938772211	/nfs/dbraw/zinc/77/22/11/938772211.db2.gz	QGEFNQINSRSIHN-VGWMRTNUSA-N	1	0	361.490	1.895	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC(C2CC2)C2CC2)n1	ZINC001130251374	938774596	/nfs/dbraw/zinc/77/45/96/938774596.db2.gz	QQQPAOCZJXOTAF-RDJZCZTQSA-N	1	0	371.485	1.343	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)CCOC)[nH]1	ZINC001130251525	938774949	/nfs/dbraw/zinc/77/49/49/938774949.db2.gz	ZBBALPTZIIAIPN-KKUMJFAQSA-N	1	0	365.478	1.132	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)[nH]1	ZINC001130253985	938775575	/nfs/dbraw/zinc/77/55/75/938775575.db2.gz	ZLVUUHUYSBVKKY-SOBDKHKFSA-N	1	0	371.485	1.361	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCCCF)CC1	ZINC001130282787	938780016	/nfs/dbraw/zinc/78/00/16/938780016.db2.gz	ZYPIRGXIUSMMEH-LESCRADOSA-N	1	0	366.481	1.761	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)C(C)(C)C)CC1	ZINC001130282337	938780027	/nfs/dbraw/zinc/78/00/27/938780027.db2.gz	STLKTANNMVGHFL-WBVHZDCISA-N	1	0	361.486	1.100	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@H]2CCOC2)CC1	ZINC001130276565	938787517	/nfs/dbraw/zinc/78/75/17/938787517.db2.gz	FPJNARFKRNZWBR-MDYRTPRTSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC[C@H](C)F)CC1	ZINC001130279112	938789373	/nfs/dbraw/zinc/78/93/73/938789373.db2.gz	RVWFRKUASRRROE-GMBSWORKSA-N	1	0	369.481	1.413	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@](C)(O)C=C)CC1	ZINC001130288886	938793845	/nfs/dbraw/zinc/79/38/45/938793845.db2.gz	ZCLMDZYLNOBFHL-LSTHTHJFSA-N	1	0	363.502	1.365	20	30		FDEDRO
CC[C@@H](F)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C#CC(C)C)CC1	ZINC001130290805	938795408	/nfs/dbraw/zinc/79/54/08/938795408.db2.gz	LRMYXDATNPUKLV-HLIPFELVSA-N	1	0	365.493	1.869	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC2CCC2)CC1	ZINC001130290824	938795414	/nfs/dbraw/zinc/79/54/14/938795414.db2.gz	MOBCSUVBEHEVMO-NQIIRXRSSA-N	1	0	359.514	1.921	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCCC#CC)CC1	ZINC001130295409	938797783	/nfs/dbraw/zinc/79/77/83/938797783.db2.gz	AJCZNNKFTUYYJO-NQIIRXRSSA-N	1	0	357.498	1.679	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCO)CC1	ZINC001130295488	938797817	/nfs/dbraw/zinc/79/78/17/938797817.db2.gz	DPHIVXZIWUUKFO-WDYCEAGBSA-N	1	0	365.518	1.447	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@@H](C)COC)CC1	ZINC001130305177	938803386	/nfs/dbraw/zinc/80/33/86/938803386.db2.gz	MLVFSYMOYODOBU-MDYRTPRTSA-N	1	0	363.502	1.158	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@@H](C)COC)CC1	ZINC001130305362	938803718	/nfs/dbraw/zinc/80/37/18/938803718.db2.gz	WATMTVMIUWZRTQ-MDYRTPRTSA-N	1	0	363.502	1.158	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COc2ccccc2)CC1	ZINC001130307301	938805236	/nfs/dbraw/zinc/80/52/36/938805236.db2.gz	OLCZXCDLVUGIJD-NQIIRXRSSA-N	1	0	371.481	1.727	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC#CC)CC1	ZINC001130312946	938807554	/nfs/dbraw/zinc/80/75/54/938807554.db2.gz	FWTVPSBKRYZQAV-SUMDDJOVSA-N	1	0	361.486	1.076	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCF)CC1	ZINC001130313296	938807742	/nfs/dbraw/zinc/80/77/42/938807742.db2.gz	SSECTABAXVMAEM-KYJSFNMBSA-N	1	0	369.481	1.413	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccncc1	ZINC000805809997	938830835	/nfs/dbraw/zinc/83/08/35/938830835.db2.gz	BEFBQRSLXCPEAR-FUHWJXTLSA-N	1	0	374.485	1.432	20	30		FDEDRO
N#C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)C1CC[NH+](C2CC2)CC1	ZINC000805856063	938838558	/nfs/dbraw/zinc/83/85/58/938838558.db2.gz	UPLQCIPWKVFMJD-INIZCTEOSA-N	1	0	369.421	1.980	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1	ZINC001130426981	938844895	/nfs/dbraw/zinc/84/48/95/938844895.db2.gz	KZNOMKIWLDDGFT-DDBAPUKQSA-N	1	0	374.485	1.585	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H]1CN(C(C)=O)C[C@H]1c1cn(C)cn1	ZINC001130474060	938864824	/nfs/dbraw/zinc/86/48/24/938864824.db2.gz	LHVUAVKMMDJQJQ-UWWQBHOKSA-N	1	0	361.490	1.137	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccsc2)C[C@H]1c1cn(C)cn1	ZINC001130490412	938881022	/nfs/dbraw/zinc/88/10/22/938881022.db2.gz	GJFOXPJURKBHMR-DOTOQJQBSA-N	1	0	360.483	1.882	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CCCC)C[C@H]1c1cn(C)cn1	ZINC001130506010	938887084	/nfs/dbraw/zinc/88/70/84/938887084.db2.gz	SEINTJKYXLZRNN-YQQAZPJKSA-N	1	0	361.490	1.185	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C2CCC(O)CC2)C[C@H]1c1cn(C)cn1	ZINC001130576184	939879204	/nfs/dbraw/zinc/87/92/04/939879204.db2.gz	KMCNEFPLIFHIQC-BXNZUYAZSA-N	1	0	360.502	1.821	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccnn2C2CCC2)C[C@H]1c1cn(C)cn1	ZINC001130590611	939898225	/nfs/dbraw/zinc/89/82/25/939898225.db2.gz	ZAVHHDFOIWWWNH-FUHWJXTLSA-N	1	0	366.469	1.563	20	30		FDEDRO
Cn1cnc([C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2[NH2+]Cc2ccnn2C)c1	ZINC001130592892	939900068	/nfs/dbraw/zinc/90/00/68/939900068.db2.gz	JYJVVZCVTPANSP-FUHWJXTLSA-N	1	0	368.485	1.287	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CO[C@@H]2CCOC2)C[C@H]1c1cn(C)cn1	ZINC001130594365	939901618	/nfs/dbraw/zinc/90/16/18/939901618.db2.gz	DJJFEKHAAJMVAV-SOLBZPMBSA-N	1	0	362.474	1.076	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)NC(=O)CC)C[C@H]1c1cn(C)cn1	ZINC001130599159	939904601	/nfs/dbraw/zinc/90/46/01/939904601.db2.gz	LLWPDNILWIHZLY-HLLBOEOZSA-N	1	0	361.490	1.185	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2nn(C)cc2Cl)C[C@H]1c1cn(C)cn1	ZINC001130599559	939904936	/nfs/dbraw/zinc/90/49/36/939904936.db2.gz	UVRWKVCNBNSCNU-SWLSCSKDSA-N	1	0	360.849	1.028	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2ccnn2C)C[C@H]1c1cn(C)cn1	ZINC001130599600	939904990	/nfs/dbraw/zinc/90/49/90/939904990.db2.gz	WGOJPKWWNKHCAF-FUHWJXTLSA-N	1	0	356.474	1.247	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cn2ccc(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130599626	939905427	/nfs/dbraw/zinc/90/54/27/939905427.db2.gz	XUPFTWRTECTFME-VDZJLULYSA-N	1	0	370.501	1.721	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CCN(C)C(=O)OC(C)(C)C)c1C#N	ZINC000806380610	939908278	/nfs/dbraw/zinc/90/82/78/939908278.db2.gz	ACRHWZYTPLWBFC-UHFFFAOYSA-N	1	0	364.450	1.629	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C)C2CCC2)C[C@H]1c1cn(C)cn1	ZINC001130614919	939912278	/nfs/dbraw/zinc/91/22/78/939912278.db2.gz	HOOBZHJLCYDJRZ-HHXXYDBFSA-N	1	0	360.502	1.943	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130622077	939920540	/nfs/dbraw/zinc/92/05/40/939920540.db2.gz	OPUPSNVACBPCAM-FUHWJXTLSA-N	1	0	369.469	1.283	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccn3ccccc23)C[C@H]1c1cn(C)cn1	ZINC001130626605	939924115	/nfs/dbraw/zinc/92/41/15/939924115.db2.gz	NUEVHRHMSUWONI-PKOBYXMFSA-N	1	0	361.449	1.894	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnc(Cl)n2C)C[C@H]1c1cn(C)cn1	ZINC001130626664	939924280	/nfs/dbraw/zinc/92/42/80/939924280.db2.gz	QUHIUJUIWKWCER-GXTWGEPZSA-N	1	0	360.849	1.028	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cn2cncc2C)C[C@H]1c1cn(C)cn1	ZINC001130626630	939924378	/nfs/dbraw/zinc/92/43/78/939924378.db2.gz	PGTSOFOEFNYZQP-FUHWJXTLSA-N	1	0	356.474	1.475	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC23CC3)C[C@H]1c1cn(C)cn1	ZINC001130617299	939928964	/nfs/dbraw/zinc/92/89/64/939928964.db2.gz	WZUDLMZOHFLWBK-YQVWRLOYSA-N	1	0	370.497	1.534	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)CC(F)F)C[C@H]1c1cn(C)cn1	ZINC001130632617	939935961	/nfs/dbraw/zinc/93/59/61/939935961.db2.gz	JKHYBSDBHMPFPO-OFQRWUPVSA-N	1	0	368.428	1.245	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnn(C)c2)C1	ZINC001130644220	939952545	/nfs/dbraw/zinc/95/25/45/939952545.db2.gz	KXXDXXOKPALARF-PKOBYXMFSA-N	1	0	368.485	1.431	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CCCC#CC)C[C@H]1c1cn(C)cn1	ZINC001130644677	939952791	/nfs/dbraw/zinc/95/27/91/939952791.db2.gz	YIZQCRFEVLKQCL-PKOBYXMFSA-N	1	0	358.486	1.700	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2csc(=O)[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130657102	939961526	/nfs/dbraw/zinc/96/15/26/939961526.db2.gz	YSCBLOIEISVMTF-GXTWGEPZSA-N	1	0	361.471	1.746	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccncc2Cl)C[C@H]1c1cn(C)cn1	ZINC001130672423	939971500	/nfs/dbraw/zinc/97/15/00/939971500.db2.gz	PICSTUSQNHVMTC-MAUKXSAKSA-N	1	0	371.872	1.619	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2[nH]c(C)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130675311	939973038	/nfs/dbraw/zinc/97/30/38/939973038.db2.gz	REVPRSPEGRZRPB-DOTOQJQBSA-N	1	0	356.474	1.924	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2cn[nH]c2)C[C@H]1c1cn(C)cn1	ZINC001130687504	939977105	/nfs/dbraw/zinc/97/71/05/939977105.db2.gz	CQDQOLQZIWRNTN-FUHWJXTLSA-N	1	0	356.474	1.626	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)nn2CC)C[C@H]1c1cn(C)cn1	ZINC001130682756	939982692	/nfs/dbraw/zinc/98/26/92/939982692.db2.gz	JIKFARSMJOAVJH-DOTOQJQBSA-N	1	0	356.474	1.719	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc3c2OCC3)C[C@H]1c1cn(C)cn1	ZINC001130682981	939983126	/nfs/dbraw/zinc/98/31/26/939983126.db2.gz	RYDDEMPNFFDIRE-PKOBYXMFSA-N	1	0	364.449	1.576	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2c(C)n[nH]c2C)C[C@H]1c1cn(C)cn1	ZINC001130698866	939992830	/nfs/dbraw/zinc/99/28/30/939992830.db2.gz	VLFIUUIXUIBFPH-RPVQJOFSSA-N	1	0	368.485	1.471	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC[C@H](C)F)C2)nc1	ZINC001130714554	940006409	/nfs/dbraw/zinc/00/64/09/940006409.db2.gz	CWVYFSSILAKSRU-URLQWDBASA-N	1	0	369.444	1.742	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCOCC)C2)nc1	ZINC001130714633	940006431	/nfs/dbraw/zinc/00/64/31/940006431.db2.gz	GISOMMCTTCDYEE-QFBILLFUSA-N	1	0	367.453	1.031	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccnc(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130728397	940016368	/nfs/dbraw/zinc/01/63/68/940016368.db2.gz	CQXXKIHIIIKLEJ-MAUKXSAKSA-N	1	0	354.458	1.683	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCOc2ccccc2C)C[C@H]1c1cn(C)cn1	ZINC001130728537	940017101	/nfs/dbraw/zinc/01/71/01/940017101.db2.gz	GDTPGFBTULVFPM-PKOBYXMFSA-N	1	0	366.465	1.715	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2cccc(F)c2)C[C@H]1c1cn(C)cn1	ZINC001130723652	940028625	/nfs/dbraw/zinc/02/86/25/940028625.db2.gz	SZPMBRVOSKKMHT-PKOBYXMFSA-N	1	0	354.429	1.709	20	30		FDEDRO
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c1	ZINC000806808518	940060491	/nfs/dbraw/zinc/06/04/91/940060491.db2.gz	GTXALLCHJAFWSY-LZLYRXPVSA-N	1	0	374.485	1.964	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COC)n2)O1	ZINC001130753254	940062574	/nfs/dbraw/zinc/06/25/74/940062574.db2.gz	ZGCIJSTXTXUPQY-LSDHHAIUSA-N	1	0	365.478	1.623	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)OC)n2)O1	ZINC001130761620	940067382	/nfs/dbraw/zinc/06/73/82/940067382.db2.gz	DJIUSSVCHRKEPJ-MELADBBJSA-N	1	0	351.451	1.232	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)OCCCC)n2)O1	ZINC001130762282	940070056	/nfs/dbraw/zinc/07/00/56/940070056.db2.gz	QYVQJUVJFVYVMT-QLFBSQMISA-N	1	0	365.478	1.622	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCOC(C)C)n2)O1	ZINC001130757944	940082696	/nfs/dbraw/zinc/08/26/96/940082696.db2.gz	MSPAYMHEODMPDS-UONOGXRCSA-N	1	0	351.451	1.232	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[N@@H+](CC)C[C@@H]2C)s1	ZINC000822865956	945295133	/nfs/dbraw/zinc/29/51/33/945295133.db2.gz	HVTCZNFYBCBBMU-ZDUSSCGKSA-N	1	0	371.528	1.308	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CO[C@@H](C)CC)n2)O1	ZINC001130774970	940091836	/nfs/dbraw/zinc/09/18/36/940091836.db2.gz	HDMXBXYFNRLWTD-SOUVJXGZSA-N	1	0	363.462	1.069	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCCOC)n2)O1	ZINC001130767449	940100535	/nfs/dbraw/zinc/10/05/35/940100535.db2.gz	JEYFLNYFHQPFMK-UONOGXRCSA-N	1	0	351.451	1.233	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)/C=C/C(C)(C)C)n2)O1	ZINC001130767605	940102301	/nfs/dbraw/zinc/10/23/01/940102301.db2.gz	OKUDSCVBXUZCQS-LWLVDVGCSA-N	1	0	359.474	1.856	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)COC)n2)O1	ZINC001130770200	940108476	/nfs/dbraw/zinc/10/84/76/940108476.db2.gz	XIILZSCXGJBQJX-SOUVJXGZSA-N	1	0	365.478	1.479	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cncc(C)c3)n2)O1	ZINC001130772425	940112178	/nfs/dbraw/zinc/11/21/78/940112178.db2.gz	MHODESFTUMIFSX-JKSUJKDBSA-N	1	0	370.457	1.824	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3ccon3)n2)O1	ZINC001130776391	940124548	/nfs/dbraw/zinc/12/45/48/940124548.db2.gz	CHTBRRRCDBTTKO-UONOGXRCSA-N	1	0	360.418	1.037	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3c(C)ccn3C)n2)O1	ZINC001130776399	940124980	/nfs/dbraw/zinc/12/49/80/940124980.db2.gz	CTWZKSIBIXRSJI-LSDHHAIUSA-N	1	0	370.457	1.215	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3CC(F)(F)C3)n2)O1	ZINC001130776635	940126189	/nfs/dbraw/zinc/12/61/89/940126189.db2.gz	JDTZZPGABVLJID-QWHCGFSZSA-N	1	0	367.400	1.299	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H]3CCCCO3)n2)O1	ZINC001130776655	940126263	/nfs/dbraw/zinc/12/62/63/940126263.db2.gz	KDLLEWJCADLFBC-SOUVJXGZSA-N	1	0	363.462	1.376	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COCCCC)n2)O1	ZINC001130776807	940126951	/nfs/dbraw/zinc/12/69/51/940126951.db2.gz	LZQJPJMCEXOOEO-UONOGXRCSA-N	1	0	351.451	1.233	20	30		FDEDRO
C#CCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C/C=C\Cl)O2)n[nH]1	ZINC001130778431	940132216	/nfs/dbraw/zinc/13/22/16/940132216.db2.gz	XTQJSTCNUVFLTM-VMZLMLEMSA-N	1	0	365.865	1.787	20	30		FDEDRO
C#CCCCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1	ZINC000806915332	940142351	/nfs/dbraw/zinc/14/23/51/940142351.db2.gz	JLCJRWCOFRHWAD-UHFFFAOYSA-N	1	0	351.397	1.385	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCCC3CC3)n2)O1	ZINC001130795886	940149262	/nfs/dbraw/zinc/14/92/62/940149262.db2.gz	CBCOWTSGSVYLKK-JKSUJKDBSA-N	1	0	359.474	1.834	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCC3(F)F)n2)O1	ZINC001130787481	940157382	/nfs/dbraw/zinc/15/73/82/940157382.db2.gz	UPEFKWHGDZUFDA-QJPTWQEYSA-N	1	0	355.389	1.462	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(CCCC)CC3)n2)O1	ZINC001130804327	940175708	/nfs/dbraw/zinc/17/57/08/940175708.db2.gz	CXXOWFADLUMRRF-LSDHHAIUSA-N	1	0	359.474	1.834	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3COCCO3)C2)cc1F	ZINC001086647293	940178164	/nfs/dbraw/zinc/17/81/64/940178164.db2.gz	ICNZGOXZDKKBAK-XCRHUMRWSA-N	1	0	361.417	1.487	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3occc3C(C)C)n2)O1	ZINC001130799758	940194413	/nfs/dbraw/zinc/19/44/13/940194413.db2.gz	WPABECCEJLPSKR-DZGCQCFKSA-N	1	0	371.441	1.894	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc[nH]c3C3CC3)n2)O1	ZINC001130802369	940197189	/nfs/dbraw/zinc/19/71/89/940197189.db2.gz	QIPWREBDJSFTMV-DZGCQCFKSA-N	1	0	370.457	1.936	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(C)CCCCC3)n2)O1	ZINC001130802459	940197589	/nfs/dbraw/zinc/19/75/89/940197589.db2.gz	VISQLCWVEBLBGL-LSDHHAIUSA-N	1	0	359.474	1.834	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccnc(C)c3)n2)O1	ZINC001130811685	940204746	/nfs/dbraw/zinc/20/47/46/940204746.db2.gz	DUULDSHRXHIFNK-JKSUJKDBSA-N	1	0	368.441	1.271	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1	ZINC000807354112	940318865	/nfs/dbraw/zinc/31/88/65/940318865.db2.gz	FUUOCDHNWLURBO-RDJZCZTQSA-N	1	0	355.438	1.722	20	30		FDEDRO
CCCSCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CCOC)C1	ZINC001130924941	940321634	/nfs/dbraw/zinc/32/16/34/940321634.db2.gz	KCPHWYUGMAXHLQ-HZPDHXFCSA-N	1	0	364.515	1.097	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCn2cccn2)C[C@H]1c1cncn1C	ZINC001130915251	940324646	/nfs/dbraw/zinc/32/46/46/940324646.db2.gz	FPQQOTIQWZQAKO-RCCFBDPRSA-N	1	0	370.501	1.946	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2c(C)nnn2CC)C1	ZINC001130935744	940331603	/nfs/dbraw/zinc/33/16/03/940331603.db2.gz	JLYXHNJDRPOWBZ-HZPDHXFCSA-N	1	0	371.489	1.390	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2nccnc2C)C1	ZINC001130935835	940332135	/nfs/dbraw/zinc/33/21/35/940332135.db2.gz	NNRZSJHZKASUOC-NVXWUHKLSA-N	1	0	354.458	1.569	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnn(CC)c2)C[C@H]1c1cncn1C	ZINC001130940530	940350794	/nfs/dbraw/zinc/35/07/94/940350794.db2.gz	BIAMWRHNSZBDDW-IAGOWNOFSA-N	1	0	356.474	1.801	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)SC)C[C@H]1c1cncn1C	ZINC001130959792	940365799	/nfs/dbraw/zinc/36/57/99/940365799.db2.gz	UMTPXOUJABIFMO-BFYDXBDKSA-N	1	0	366.531	1.648	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ncccc2O)C[C@H]1c1cncn1C	ZINC001130971515	940380294	/nfs/dbraw/zinc/38/02/94/940380294.db2.gz	QXZCVFJPFXVGSM-HUUCEWRRSA-N	1	0	355.442	1.685	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2ncc[nH]2)C[C@H]1c1cncn1C	ZINC001130973172	940384130	/nfs/dbraw/zinc/38/41/30/940384130.db2.gz	SSDADZUNOSQAGH-HZPDHXFCSA-N	1	0	356.474	1.626	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccnn2C)C1	ZINC001130964461	940385624	/nfs/dbraw/zinc/38/56/24/940385624.db2.gz	MAMWARNDLAGZHB-QZTJIDSGSA-N	1	0	368.485	1.431	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC2(F)F)C[C@H]1c1cncn1C	ZINC001130980182	940394381	/nfs/dbraw/zinc/39/43/81/940394381.db2.gz	GIFQEHHMYNASCG-HZSPNIEDSA-N	1	0	354.401	1.162	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCCCF)C1	ZINC001130983757	940399100	/nfs/dbraw/zinc/39/91/00/940399100.db2.gz	ZLXXVAONLHNSSX-MDZRGWNJSA-N	1	0	366.481	1.771	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnn(CC)n2)C[C@H]1c1cncn1C	ZINC001130977828	940408915	/nfs/dbraw/zinc/40/89/15/940408915.db2.gz	BSEWDYBYIXVHQH-GDBMZVCRSA-N	1	0	357.462	1.196	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC[C@@H]2CCCO2)C1	ZINC001130977966	940409035	/nfs/dbraw/zinc/40/90/35/940409035.db2.gz	KMJJFBSTEJAMAL-RCCFBDPRSA-N	1	0	358.486	1.677	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC/C=C/CC)C1	ZINC001130988552	940410286	/nfs/dbraw/zinc/41/02/86/940410286.db2.gz	HSBURJWJVBADTE-AMGLGWGCSA-N	1	0	358.486	1.699	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2coc(C(C)(C)C)n2)C[C@H]1c1cncn1C	ZINC001130988287	940410442	/nfs/dbraw/zinc/41/04/42/940410442.db2.gz	AXOZBUZCSWDBJA-HUUCEWRRSA-N	1	0	369.469	1.927	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnnn2CC)C[C@H]1c1cncn1C	ZINC001130985685	940422972	/nfs/dbraw/zinc/42/29/72/940422972.db2.gz	LKVAOZIFVGRFFP-ARFHVFGLSA-N	1	0	371.489	1.584	20	30		FDEDRO
Cn1cncc1[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]CCC[C@H]1CCOC1	ZINC001130985873	940423320	/nfs/dbraw/zinc/42/33/20/940423320.db2.gz	SRMBRMVAFLWICH-IPMKNSEASA-N	1	0	370.497	1.534	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1C#N	ZINC000807606135	940427556	/nfs/dbraw/zinc/42/75/56/940427556.db2.gz	XQLXMJXAXFCUKH-CYBMUJFWSA-N	1	0	360.458	1.276	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccnc3[nH]cnc32)C[C@H]1c1cncn1C	ZINC001131001777	940428642	/nfs/dbraw/zinc/42/86/42/940428642.db2.gz	NSWGSJFZOKJVKL-HUUCEWRRSA-N	1	0	365.441	1.465	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2nn(C)cc2Cl)C[C@H]1c1cncn1C	ZINC001130998853	940435423	/nfs/dbraw/zinc/43/54/23/940435423.db2.gz	DDKRRMBICGWVAX-TZMCWYRMSA-N	1	0	360.849	1.028	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2nn(C)cc2Cl)C[C@H]1c1cncn1C	ZINC001130999467	940436040	/nfs/dbraw/zinc/43/60/40/940436040.db2.gz	SCLMPUQMWKLPKH-TZMCWYRMSA-N	1	0	362.865	1.581	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)cc1C#N	ZINC000807663953	940437618	/nfs/dbraw/zinc/43/76/18/940437618.db2.gz	VHUMPNBGDXWAMN-UHFFFAOYSA-N	1	0	374.485	1.808	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ncc(C)cc2OC)C[C@H]1c1cncn1C	ZINC001131012895	940444796	/nfs/dbraw/zinc/44/47/96/940444796.db2.gz	RADZADUEFGGCHJ-HZPDHXFCSA-N	1	0	367.453	1.353	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2CC)C[C@H]1c1cncn1C	ZINC001131012947	940444817	/nfs/dbraw/zinc/44/48/17/940444817.db2.gz	UFTQAYCODJXIDJ-RHSMWYFYSA-N	1	0	356.474	1.490	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnc3cc[nH]c3c2)C[C@H]1c1cncn1C	ZINC001131015012	940448239	/nfs/dbraw/zinc/44/82/39/940448239.db2.gz	MBSPVEWGXDKGNY-CRAIPNDOSA-N	1	0	362.437	1.518	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cn2cc(C3CC3)cn2)C[C@H]1c1cncn1C	ZINC001131023227	940456704	/nfs/dbraw/zinc/45/67/04/940456704.db2.gz	SNEICXMUNHVZRJ-QZTJIDSGSA-N	1	0	366.469	1.102	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2nc(C)c(C)nc2C)C[C@H]1c1cncn1C	ZINC001131026027	940459469	/nfs/dbraw/zinc/45/94/69/940459469.db2.gz	QANUGZOIZZAMPY-IAGOWNOFSA-N	1	0	368.485	1.909	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C[C@H]1c1cncn1C	ZINC001131028757	940463312	/nfs/dbraw/zinc/46/33/12/940463312.db2.gz	HPQFIQLSHCHZFO-WJFTUGDTSA-N	1	0	372.513	1.943	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2snnc2CC)C[C@H]1c1cncn1C	ZINC001131028811	940463350	/nfs/dbraw/zinc/46/33/50/940463350.db2.gz	KNANVXILEOBIKA-TZMCWYRMSA-N	1	0	358.471	1.055	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn(C(C)C)cn2)C[C@H]1c1cncn1C	ZINC001131038445	940466831	/nfs/dbraw/zinc/46/68/31/940466831.db2.gz	SEKDRHAVMSOLPV-HZPDHXFCSA-N	1	0	356.474	1.971	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc3cn[nH]c32)C[C@H]1c1cncn1C	ZINC001131040559	940468812	/nfs/dbraw/zinc/46/88/12/940468812.db2.gz	ZYQYDAKJCNIING-IAGOWNOFSA-N	1	0	362.437	1.518	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCF)C1	ZINC001131040556	940468867	/nfs/dbraw/zinc/46/88/67/940468867.db2.gz	ZTAGYCNSMNVOQG-MDZRGWNJSA-N	1	0	366.481	1.893	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2cnn(C)c2)C[C@H]1c1cncn1C	ZINC001131042392	940471715	/nfs/dbraw/zinc/47/17/15/940471715.db2.gz	QHNJPKAUNVHANQ-CGTJXYLNSA-N	1	0	368.485	1.255	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3cccnc32)C[C@H]1c1cncn1C	ZINC001131055629	940481525	/nfs/dbraw/zinc/48/15/25/940481525.db2.gz	FHYLYXQFUQGHCK-KZNAEPCWSA-N	1	0	363.465	1.452	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2ccc(=O)[nH]c2)C[C@H]1c1cncn1C	ZINC001131055722	940481608	/nfs/dbraw/zinc/48/16/08/940481608.db2.gz	JCLUDMYVTWMMTP-IAGOWNOFSA-N	1	0	367.453	1.061	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2cccc(C)c2)C[C@H]1c1cncn1C	ZINC001131066812	940482374	/nfs/dbraw/zinc/48/23/74/940482374.db2.gz	LAPJAHLVGKVRMK-RTBURBONSA-N	1	0	350.466	1.879	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3nc[nH]c32)C[C@H]1c1cncn1C	ZINC001131070441	940484618	/nfs/dbraw/zinc/48/46/18/940484618.db2.gz	VPUXOADCJRKJDC-BFYDXBDKSA-N	1	0	366.469	1.171	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cc2OC)C[C@H]1c1cncn1C	ZINC001131072344	940485294	/nfs/dbraw/zinc/48/52/94/940485294.db2.gz	UCEUJAYJGBSUHF-HUUCEWRRSA-N	1	0	371.441	1.303	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnc(C)cn2)C1	ZINC001131064809	940486627	/nfs/dbraw/zinc/48/66/27/940486627.db2.gz	UCEZQBVFCLETSC-QZTJIDSGSA-N	1	0	368.485	1.959	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(=O)NCC)C1	ZINC001131081774	940487871	/nfs/dbraw/zinc/48/78/71/940487871.db2.gz	AUYGUZXJJQGYBX-HUUCEWRRSA-N	1	0	361.490	1.043	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2cn(C)nc2C)C[C@H]1c1cncn1C	ZINC001131083791	940489001	/nfs/dbraw/zinc/48/90/01/940489001.db2.gz	BCRCXWUMYGCWAE-QZTJIDSGSA-N	1	0	368.485	1.002	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2ccnc2)C[C@H]1c1cncn1C	ZINC001131079218	940491933	/nfs/dbraw/zinc/49/19/33/940491933.db2.gz	GNLBBPYUQBUUHQ-GVDBMIGSSA-N	1	0	354.458	1.175	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)COCc2ccncc2)C[C@H]1c1cncn1C	ZINC001131096502	940497241	/nfs/dbraw/zinc/49/72/41/940497241.db2.gz	GHZHNSBOUSPXAA-IAGOWNOFSA-N	1	0	355.442	1.102	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@H]1c1cncn1C	ZINC001131097069	940497687	/nfs/dbraw/zinc/49/76/87/940497687.db2.gz	YIHFHDUQQXXLMC-GDBMZVCRSA-N	1	0	370.457	1.011	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2csc(Cl)n2)C[C@H]1c1cncn1C	ZINC001131100891	940500117	/nfs/dbraw/zinc/50/01/17/940500117.db2.gz	AZSZJHMETLAOTR-VXGBXAGGSA-N	1	0	363.874	1.751	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)[nH]nc2C(C)C)C[C@H]1c1cncn1C	ZINC001131106114	940501905	/nfs/dbraw/zinc/50/19/05/940501905.db2.gz	PXGVWTYCPQUVQI-HZPDHXFCSA-N	1	0	368.485	1.796	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)nn2)C[C@H]1c1cncn1C	ZINC001131108145	940502751	/nfs/dbraw/zinc/50/27/51/940502751.db2.gz	KZCCISDEGXADPQ-GDBMZVCRSA-N	1	0	369.473	1.050	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC[C@@H](C)F)C2)nc1	ZINC001131110270	940503506	/nfs/dbraw/zinc/50/35/06/940503506.db2.gz	KDDKTFIBOWLVHS-QGPMSJSTSA-N	1	0	369.444	1.742	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C3CC3)cn2)C[C@H]1c1cncn1C	ZINC001131117567	940504291	/nfs/dbraw/zinc/50/42/91/940504291.db2.gz	DSCRHDLQEAARKL-IEBWSBKVSA-N	1	0	363.465	1.914	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(CCOC)CCC2)C[C@H]1c1cncn1C	ZINC001131117674	940504394	/nfs/dbraw/zinc/50/43/94/940504394.db2.gz	LQUFUHMFVHNPNC-IAGOWNOFSA-N	1	0	358.486	1.534	20	30		FDEDRO
c1cnc(C2CCC2)c(N=NC2CC[NH+](CCN3CCOCC3)CC2)n1	ZINC000807993109	940506038	/nfs/dbraw/zinc/50/60/38/940506038.db2.gz	XVHDOMIFKNSYRH-UHFFFAOYSA-N	1	0	358.490	1.940	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cn2ccnc2C)C[C@H]1c1cncn1C	ZINC001131121496	940506598	/nfs/dbraw/zinc/50/65/98/940506598.db2.gz	WJSZRMLHRMIKNL-IAGOWNOFSA-N	1	0	356.474	1.475	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](OC)C2CCCC2)C[C@H]1c1cncn1C	ZINC001131115227	940508675	/nfs/dbraw/zinc/50/86/75/940508675.db2.gz	FLGXKDCEXYLCIA-ZHALLVOQSA-N	1	0	358.486	1.533	20	30		FDEDRO
CCCCCCCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC000808342166	940540492	/nfs/dbraw/zinc/54/04/92/940540492.db2.gz	RMBZEGYYZIBCRR-ROUUACIJSA-N	1	0	367.534	1.957	20	30		FDEDRO
C=CCN(C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C(C)C	ZINC000808346901	940540912	/nfs/dbraw/zinc/54/09/12/940540912.db2.gz	SXGFTUWZJWPEDM-IRXDYDNUSA-N	1	0	351.491	1.294	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CN(C)CCO2)C1	ZINC001086664440	940546254	/nfs/dbraw/zinc/54/62/54/940546254.db2.gz	ONOVERQNCOJJBD-BFHYXJOUSA-N	1	0	360.296	1.100	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cocn2)C1	ZINC001131304936	940548306	/nfs/dbraw/zinc/54/83/06/940548306.db2.gz	YBKWBEIENMQZJZ-IMJJTQAJSA-N	1	0	360.414	1.360	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCOCC)C1	ZINC001131307340	940549127	/nfs/dbraw/zinc/54/91/27/940549127.db2.gz	PNMCCHJBRNEJOM-ZACQAIPSSA-N	1	0	365.474	1.485	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CCC)C[C@H]32)C1	ZINC001131323141	940551815	/nfs/dbraw/zinc/55/18/15/940551815.db2.gz	QSESGNXHIXPJNH-OAGGEKHMSA-N	1	0	351.447	1.095	20	30		FDEDRO
C[C@@H]1CCCCN1C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1	ZINC001086668566	940563337	/nfs/dbraw/zinc/56/33/37/940563337.db2.gz	SURSONFDOUAPAC-HLLBOEOZSA-N	1	0	371.485	1.775	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC(C)C)CC1	ZINC001131414444	940563714	/nfs/dbraw/zinc/56/37/14/940563714.db2.gz	BZRFRJXXGFGMIC-SUMDDJOVSA-N	1	0	365.518	1.709	20	30		FDEDRO
CC(C)(C)n1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1	ZINC001086668347	940566148	/nfs/dbraw/zinc/56/61/48/940566148.db2.gz	NDSXXFUUXWIIMH-GXTWGEPZSA-N	1	0	370.461	1.316	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)C2CC2)CC1	ZINC001131437201	940600747	/nfs/dbraw/zinc/60/07/47/940600747.db2.gz	PHCLUHRDZZENRB-WBVHZDCISA-N	1	0	369.893	1.251	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)/C(C)=C/CC)CC1	ZINC001131456588	940610912	/nfs/dbraw/zinc/61/09/12/940610912.db2.gz	VLEORONKXFNDQP-YLOJZVIVSA-N	1	0	363.502	1.631	20	30		FDEDRO
C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H]2CCCCO2)CC1	ZINC001131461881	940620422	/nfs/dbraw/zinc/62/04/22/940620422.db2.gz	VDKLPPWFMQLAKZ-GGPKGHCWSA-N	1	0	366.502	1.744	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C=C2CCC2)CC1	ZINC001131470753	940626506	/nfs/dbraw/zinc/62/65/06/940626506.db2.gz	RSDWMBVCMFQHRI-XLIONFOSSA-N	1	0	361.486	1.385	20	30		FDEDRO
C#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2nccn2C)CC1	ZINC001131482957	940638295	/nfs/dbraw/zinc/63/82/95/940638295.db2.gz	GTKLBHMMDIOUAY-XLIONFOSSA-N	1	0	358.486	1.709	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)/C=C(\C)CC)CC1	ZINC001131493580	940644264	/nfs/dbraw/zinc/64/42/64/940644264.db2.gz	JGIPCWBYAYAOMD-UJRZMABSSA-N	1	0	361.486	1.078	20	30		FDEDRO
COCCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C#CC(C)C)CC1	ZINC001131496319	940647504	/nfs/dbraw/zinc/64/75/04/940647504.db2.gz	VDKNXZMRRJDVES-QUCCMNQESA-N	1	0	366.502	1.295	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccns2)CC1	ZINC001131510512	940659250	/nfs/dbraw/zinc/65/92/50/940659250.db2.gz	NFSSOJYKCZYXCQ-WBVHZDCISA-N	1	0	363.483	1.392	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)NC(=O)CC)CC1	ZINC001131506476	940668377	/nfs/dbraw/zinc/66/83/77/940668377.db2.gz	ACBLPUJTKBSTOQ-KYJSFNMBSA-N	1	0	351.491	1.463	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn(C)nc2C2CC2)CC1	ZINC001131506692	940668661	/nfs/dbraw/zinc/66/86/61/940668661.db2.gz	LABLYUJBIOVGJW-QUCCMNQESA-N	1	0	370.497	1.920	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2ccncn2)CC1	ZINC001131506902	940669579	/nfs/dbraw/zinc/66/95/79/940669579.db2.gz	VOASWNRCYAVXSV-QUCCMNQESA-N	1	0	356.470	1.418	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccsn2)CC1	ZINC001131517616	940685087	/nfs/dbraw/zinc/68/50/87/940685087.db2.gz	XMWDUQZSOWRFJZ-WBVHZDCISA-N	1	0	363.483	1.392	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccnc(OC)n2)CC1	ZINC001131527942	940697549	/nfs/dbraw/zinc/69/75/49/940697549.db2.gz	GCYJWESQJNHWRM-WBVHZDCISA-N	1	0	358.442	1.108	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2nccn2C)CC1	ZINC001131533532	940704384	/nfs/dbraw/zinc/70/43/84/940704384.db2.gz	KGWZVBXHCIEAKH-XLIONFOSSA-N	1	0	360.502	1.915	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](F)C(C)C)CC1	ZINC001131543448	940719167	/nfs/dbraw/zinc/71/91/67/940719167.db2.gz	CBWGFIPFVXIBIH-SQNIBIBYSA-N	1	0	354.466	1.616	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2nnn(C)n2)CC1	ZINC001131543600	940719545	/nfs/dbraw/zinc/71/95/45/940719545.db2.gz	KKUGZKFPELWBRJ-BMFZPTHFSA-N	1	0	362.478	1.164	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)CC)CC1	ZINC001131552391	940728713	/nfs/dbraw/zinc/72/87/13/940728713.db2.gz	NGLWLIDYKAWXFT-AEFFLSMTSA-N	1	0	363.502	1.158	20	30		FDEDRO
C[N@H+](CC(=O)N1CCC([C@@H]2OCC[C@H]2NCC#N)CC1)CC(C)(C)C	ZINC001131564700	940740968	/nfs/dbraw/zinc/74/09/68/940740968.db2.gz	QZELPSMTEYGDQS-AEFFLSMTSA-N	1	0	350.507	1.474	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOC)CC1	ZINC001131567971	940743224	/nfs/dbraw/zinc/74/32/24/940743224.db2.gz	TWULILNPWOGWOW-BDXSIMOUSA-N	1	0	352.475	1.210	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC(F)(F)C(F)F)CC1	ZINC001131570908	940746714	/nfs/dbraw/zinc/74/67/14/940746714.db2.gz	UBVDEWCAMRORGJ-OCCSQVGLSA-N	1	0	350.356	1.896	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnc3cccnn32)CC1	ZINC001131575195	940751987	/nfs/dbraw/zinc/75/19/87/940751987.db2.gz	UJHGYTIREZFSNP-APWZRJJASA-N	1	0	367.453	1.352	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2conc2COC)CC1	ZINC001131593051	940764447	/nfs/dbraw/zinc/76/44/47/940764447.db2.gz	JWEUKTPEWWAIAB-AEFFLSMTSA-N	1	0	361.442	1.444	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)CCC(C)C)CC1	ZINC001131580524	940766762	/nfs/dbraw/zinc/76/67/62/940766762.db2.gz	VHEHJDMPQCFEII-XLIONFOSSA-N	1	0	363.502	1.158	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)OCCOCC)CC1	ZINC001131606740	940776318	/nfs/dbraw/zinc/77/63/18/940776318.db2.gz	DAYQWRDULFODGC-JQHSSLGASA-N	1	0	354.491	1.600	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)C)CC1	ZINC001131597060	940780340	/nfs/dbraw/zinc/78/03/40/940780340.db2.gz	JJHQBYLEHKFELF-OIISXLGYSA-N	1	0	365.518	1.709	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCCOCC)CC1	ZINC001131610615	940790689	/nfs/dbraw/zinc/79/06/89/940790689.db2.gz	ZQMHUJLGYQKUQS-MJGOQNOKSA-N	1	0	352.475	1.049	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COC[C@@H]2CCCO2)CC1	ZINC001131616127	940794256	/nfs/dbraw/zinc/79/42/56/940794256.db2.gz	KFWMGCVRFSKNJB-NSHGMRRFSA-N	1	0	364.486	1.191	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)CC1	ZINC001131616277	940794599	/nfs/dbraw/zinc/79/45/99/940794599.db2.gz	KYLDHFFLBCGGKX-FGTMMUONSA-N	1	0	365.518	1.709	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](CC(C)C)C(N)=O)CC1	ZINC001131620459	940796513	/nfs/dbraw/zinc/79/65/13/940796513.db2.gz	GKHXETBTCWWEEW-KURKYZTESA-N	1	0	365.518	1.696	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1)[C@@H]1CCCO1	ZINC000809311396	940815490	/nfs/dbraw/zinc/81/54/90/940815490.db2.gz	HMUUUTFAZUJQKT-HIEASXQVSA-N	1	0	361.486	1.006	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1)C1CCCC1	ZINC000809801198	940897044	/nfs/dbraw/zinc/89/70/44/940897044.db2.gz	OVKJGXKVBYVXGU-UHFFFAOYSA-N	1	0	355.482	1.811	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2COCCN2C)C1	ZINC001086675071	940909694	/nfs/dbraw/zinc/90/96/94/940909694.db2.gz	KBBYGTIQSXKRCV-MJBXVCDLSA-N	1	0	360.296	1.100	20	30		FDEDRO
Cc1nc(C)n(CC[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1	ZINC001086676443	940948742	/nfs/dbraw/zinc/94/87/42/940948742.db2.gz	COOCQEYPTKYHJR-GOEBONIOSA-N	1	0	355.446	1.283	20	30		FDEDRO
CN1CCOC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001086677034	940953509	/nfs/dbraw/zinc/95/35/09/940953509.db2.gz	FOQLBAYXHINKKE-KFKAGJAMSA-N	1	0	356.470	1.263	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)O[C@@H]1CCCN(c2cc[nH+]c(N)n2)C1	ZINC000810762162	941053087	/nfs/dbraw/zinc/05/30/87/941053087.db2.gz	ZVEUATFSQMOIJV-DZGCQCFKSA-N	1	0	367.409	1.910	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)O[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000810837623	941066777	/nfs/dbraw/zinc/06/67/77/941066777.db2.gz	JYIYAJZWUFZWIR-CVEARBPZSA-N	1	0	364.467	1.935	20	30		FDEDRO
CCn1nncc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001086690416	941099623	/nfs/dbraw/zinc/09/96/23/941099623.db2.gz	KKDXKOCMBYLPHL-WMLDXEAASA-N	1	0	352.442	1.858	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1	ZINC001086698462	941166417	/nfs/dbraw/zinc/16/64/17/941166417.db2.gz	GCASHQSGDQPFEO-YXCITZCRSA-N	1	0	372.307	1.684	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)C1	ZINC001086698635	941166600	/nfs/dbraw/zinc/16/66/00/941166600.db2.gz	QVTGHHZNCANGHU-ZWQIFLOQSA-N	1	0	368.481	1.847	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](CCO)C[C@@H]2CCCOC2)CC1	ZINC001098482618	941180919	/nfs/dbraw/zinc/18/09/19/941180919.db2.gz	QRHUUQQFYWMJAV-UHOSZYNNSA-N	1	0	366.502	1.289	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C)nc(C)c3)C2)C1=O	ZINC001086707006	941268821	/nfs/dbraw/zinc/26/88/21/941268821.db2.gz	CUGKUZBPMIAXSI-QXAKKESOSA-N	1	0	370.497	1.973	20	30		FDEDRO
C#C[C@H](NC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1)c1ccc(F)cc1	ZINC000812755081	941268868	/nfs/dbraw/zinc/26/88/68/941268868.db2.gz	LGSYKYSWPZXSIY-WDSOQIARSA-N	1	0	371.456	1.949	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@@H](O)COCc2ccc(OC)cc2)CC1	ZINC000747816392	941274264	/nfs/dbraw/zinc/27/42/64/941274264.db2.gz	CNIOOZFJFLSEFS-GOSISDBHSA-N	1	0	360.454	1.034	20	30		FDEDRO
CCN1C[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)CC1=O	ZINC001086711080	941361174	/nfs/dbraw/zinc/36/11/74/941361174.db2.gz	WJIYDWLVAFVHBB-ZYSHUDEJSA-N	1	0	368.481	1.801	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1	ZINC000813517990	941396705	/nfs/dbraw/zinc/39/67/05/941396705.db2.gz	ZWYJKIPIEDSZPL-HUUCEWRRSA-N	1	0	350.463	1.594	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O	ZINC001195278705	970811421	/nfs/dbraw/zinc/81/14/21/970811421.db2.gz	VZTOWDOWTFHSGC-CHWSQXEVSA-N	1	0	352.397	1.719	20	30		FDEDRO
Cn1cncc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CC#Cc1cccc(Cl)c1	ZINC001134049320	941537396	/nfs/dbraw/zinc/53/73/96/941537396.db2.gz	BLQMTWVUFCJQPW-IAGOWNOFSA-N	1	0	356.857	1.935	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(CC)Cc1ccccc1	ZINC001134061860	941540346	/nfs/dbraw/zinc/54/03/46/941540346.db2.gz	GXASOSMQZTUJJF-MSOLQXFVSA-N	1	0	359.470	1.332	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)Nc1ccccc1Cl	ZINC001134061670	941540435	/nfs/dbraw/zinc/54/04/35/941540435.db2.gz	CBPRMJJAEXPILD-IOASZLSFSA-N	1	0	365.861	1.964	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1cc(F)ccc1F	ZINC001134062059	941540769	/nfs/dbraw/zinc/54/07/69/941540769.db2.gz	POCBSCDIEWLAJM-DOMZBBRYSA-N	1	0	353.369	1.200	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)Nc1ccc2c(c1)CCC2	ZINC001134062235	941540911	/nfs/dbraw/zinc/54/09/11/941540911.db2.gz	TXPPEUWWDAZTJE-ZMYBRWDISA-N	1	0	371.481	1.799	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cccc(CC)n3)C2)C1=O	ZINC001086718785	941579080	/nfs/dbraw/zinc/57/90/80/941579080.db2.gz	SCLKMVTXDRGBSV-WDYCEAGBSA-N	1	0	370.497	1.919	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1cccc(Br)c1F	ZINC000815082193	941777860	/nfs/dbraw/zinc/77/78/60/941777860.db2.gz	DNOMZQYCHJXWFD-UHFFFAOYSA-N	1	0	363.252	1.822	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@@H]1CCN(CC)[C@H]1c1cc(F)c(F)c(F)c1	ZINC000815111714	941779913	/nfs/dbraw/zinc/77/99/13/941779913.db2.gz	FRSRRTSYCSNVAS-QAPCUYQASA-N	1	0	353.388	1.968	20	30		FDEDRO
C#CCCCCCC(=O)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O	ZINC001195307016	970839420	/nfs/dbraw/zinc/83/94/20/970839420.db2.gz	KARDMFNWXWODOS-WOJBJXKFSA-N	1	0	370.493	1.909	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1=O	ZINC001135026800	941854326	/nfs/dbraw/zinc/85/43/26/941854326.db2.gz	GBTJTBDVCNYUAW-RCCFBDPRSA-N	1	0	357.454	1.291	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)c1ccc(F)cc1	ZINC001135067620	941883494	/nfs/dbraw/zinc/88/34/94/941883494.db2.gz	DRHFMRIGALJCRF-KSZLIROESA-N	1	0	350.434	1.936	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cnc[nH]c3=O)C2)ccc1F	ZINC001086728297	941891436	/nfs/dbraw/zinc/89/14/36/941891436.db2.gz	XBTJFZXTZQXYGJ-DZGCQCFKSA-N	1	0	369.400	1.881	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CCS(=O)(=O)c1ccccc1	ZINC001135142301	941927791	/nfs/dbraw/zinc/92/77/91/941927791.db2.gz	OGJRPSLKADAUDP-IRXDYDNUSA-N	1	0	366.483	1.147	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)N1CCCCCC1	ZINC001135145443	941929175	/nfs/dbraw/zinc/92/91/75/941929175.db2.gz	IMRAXYUHGXTYPP-ULQDDVLXSA-N	1	0	351.491	1.465	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2OC	ZINC000815861600	941996911	/nfs/dbraw/zinc/99/69/11/941996911.db2.gz	PNNQZCTXVHYVDX-INIZCTEOSA-N	1	0	359.426	1.166	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)cc1Br	ZINC000815861219	941997438	/nfs/dbraw/zinc/99/74/38/941997438.db2.gz	XNYZGDIBMGYFKW-UHFFFAOYSA-N	1	0	370.222	1.598	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)cc1	ZINC000815861170	941997463	/nfs/dbraw/zinc/99/74/63/941997463.db2.gz	URWYELUWDFXFEU-UHFFFAOYSA-N	1	0	371.359	1.638	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1	ZINC001135504980	942133136	/nfs/dbraw/zinc/13/31/36/942133136.db2.gz	KRIHRGXGPSHCRJ-RYGJVYDSSA-N	1	0	363.461	1.787	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccncc3CC)C2)C1=O	ZINC001086738666	942152575	/nfs/dbraw/zinc/15/25/75/942152575.db2.gz	LIYFBFVNTRWIII-WDYCEAGBSA-N	1	0	370.497	1.919	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC(=O)NC2)C1	ZINC001086741638	942185933	/nfs/dbraw/zinc/18/59/33/942185933.db2.gz	ZWESHZQTEYCLIB-BMGDILEWSA-N	1	0	354.454	1.459	20	30		FDEDRO
C[C@H](CCCCNCC#N)NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1	ZINC001170829104	942235064	/nfs/dbraw/zinc/23/50/64/942235064.db2.gz	LJXDTSGOYBLNED-NXHRZFHOSA-N	1	0	350.507	1.521	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3c(C)cncc3C)C2)C1=O	ZINC001086757573	942364022	/nfs/dbraw/zinc/36/40/22/942364022.db2.gz	IMHKJEXLEJMGNZ-KSZLIROESA-N	1	0	370.497	1.973	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCN(c3cnccc3C#N)CC2)C1	ZINC000816994123	942435125	/nfs/dbraw/zinc/43/51/25/942435125.db2.gz	GPDBSADYSLIWBM-LJQANCHMSA-N	1	0	359.449	1.814	20	30		FDEDRO
Cn1c(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3F)C2)c[nH]c1=O	ZINC001086777652	942453326	/nfs/dbraw/zinc/45/33/26/942453326.db2.gz	ZXDLJIRMVUZJBH-DZGCQCFKSA-N	1	0	371.416	1.825	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1	ZINC001086806542	942805654	/nfs/dbraw/zinc/80/56/54/942805654.db2.gz	ZRMFSKCCJZETGE-HPBDAGMYSA-N	1	0	359.470	1.351	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]([NH3+])C2CCC2)c1	ZINC000817922650	943079097	/nfs/dbraw/zinc/07/90/97/943079097.db2.gz	ITDHUWDQQDNYAC-RUAUKMDKSA-N	1	0	364.471	1.565	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]([NH3+])C2CCC2)cc1	ZINC000817923301	943080173	/nfs/dbraw/zinc/08/01/73/943080173.db2.gz	WPSHCVURMIXQSG-MURKYSCBSA-N	1	0	364.471	1.565	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)C1CCCC1	ZINC000817982126	943116532	/nfs/dbraw/zinc/11/65/32/943116532.db2.gz	XUGAACDSFVFFTJ-FUHWJXTLSA-N	1	0	357.429	1.483	20	30		FDEDRO
O=C(C[n+]1ccccc1)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1	ZINC000818202908	943195865	/nfs/dbraw/zinc/19/58/65/943195865.db2.gz	DJWQZBZYRBUESI-UHFFFAOYSA-N	1	0	367.410	1.070	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2[NH2+]CC2(C)C)cc1	ZINC000818490456	943255596	/nfs/dbraw/zinc/25/55/96/943255596.db2.gz	ASDRMQNZAFVGIC-AUQXIXNCSA-N	1	0	364.471	1.436	20	30		FDEDRO
CC[NH2+]CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1	ZINC000818466422	943269976	/nfs/dbraw/zinc/26/99/76/943269976.db2.gz	UUIAWWUUDRSHEP-CAPFRKAQSA-N	1	0	366.487	1.828	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[NH2+]CCNS(=O)(=O)Cc2ccccc2)cc1	ZINC000818958418	943364671	/nfs/dbraw/zinc/36/46/71/943364671.db2.gz	MCPSNHLRUYPEQL-SFHVURJKSA-N	1	0	359.451	1.301	20	30		FDEDRO
O=C(NCC[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)C1N=CC=CC1=O	ZINC000819049450	943394936	/nfs/dbraw/zinc/39/49/36/943394936.db2.gz	KBLYVNUAFGTXSB-HDUPEWFZSA-N	1	0	369.343	1.855	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)cc1	ZINC000819062647	943425762	/nfs/dbraw/zinc/42/57/62/943425762.db2.gz	RROFCZMRILKODR-AZUAARDMSA-N	1	0	359.470	1.531	20	30		FDEDRO
C=CC[C@@H]([NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O)c1ccncc1	ZINC000819074928	943430096	/nfs/dbraw/zinc/43/00/96/943430096.db2.gz	WOFUCPFPZWMMGY-CRAIPNDOSA-N	1	0	351.406	1.946	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CCOCC3)C2)nn1	ZINC001086824844	943436990	/nfs/dbraw/zinc/43/69/90/943436990.db2.gz	CASHUMWZNMRFBX-DLBZAZTESA-N	1	0	361.490	1.769	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1	ZINC000819164666	943456624	/nfs/dbraw/zinc/45/66/24/943456624.db2.gz	XMLAHRKGYVVMRB-DZGCQCFKSA-N	1	0	350.463	1.926	20	30		FDEDRO
CC(C)CS(=O)(=O)N1CCC([NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1	ZINC000819212753	943489368	/nfs/dbraw/zinc/48/93/68/943489368.db2.gz	PBNNWHJWLPVOKU-GOSISDBHSA-N	1	0	365.499	1.631	20	30		FDEDRO
COc1ccc(C2=NO[C@@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)C2)cc1F	ZINC000819294550	943507518	/nfs/dbraw/zinc/50/75/18/943507518.db2.gz	ZJQPNYYHSBBAAV-HUUCEWRRSA-N	1	0	364.421	1.123	20	30		FDEDRO
C[C@H](NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CN(C)CCO1	ZINC000819405602	943554298	/nfs/dbraw/zinc/55/42/98/943554298.db2.gz	VQJVDSFIIMQQFX-ZNMIVQPWSA-N	1	0	368.478	1.409	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cnn(C)n2)C1	ZINC001086827792	943578221	/nfs/dbraw/zinc/57/82/21/943578221.db2.gz	KDGWYTCNSYXWEU-GOEBONIOSA-N	1	0	368.441	1.384	20	30		FDEDRO
CC[NH+]1CCC(CCNC(=O)C(=O)NCc2cc(C#N)ccc2F)CC1	ZINC000805744264	943947587	/nfs/dbraw/zinc/94/75/87/943947587.db2.gz	SPMUGJABUQAMGB-UHFFFAOYSA-N	1	0	360.433	1.552	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ccc(F)cc1	ZINC000820490860	944070355	/nfs/dbraw/zinc/07/03/55/944070355.db2.gz	RGHOGYNEBPYKGT-MSOLQXFVSA-N	1	0	372.444	1.448	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=NOC)c2csc(N)n2)C1	ZINC000820521162	944079654	/nfs/dbraw/zinc/07/96/54/944079654.db2.gz	SQUMFIRFECRVPT-LBPRGKRZSA-N	1	0	369.491	1.035	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccncc1	ZINC000805816209	945533611	/nfs/dbraw/zinc/53/36/11/945533611.db2.gz	VRZDGFZJVJKUAI-SQNIBIBYSA-N	1	0	356.470	1.758	20	30		FDEDRO
CC[C@@H](C(=O)N[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H]1C)[NH+](C)C	ZINC001090742165	946098105	/nfs/dbraw/zinc/09/81/05/946098105.db2.gz	CWYPIVGGUAGWHR-JLLWLGSASA-N	1	0	355.895	1.949	20	30		FDEDRO
C=CCn1cc(CNC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)nn1	ZINC000824012643	946121208	/nfs/dbraw/zinc/12/12/08/946121208.db2.gz	JDIQSOXEHZETKN-UHFFFAOYSA-N	1	0	369.473	1.928	20	30		FDEDRO
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000824395390	946394544	/nfs/dbraw/zinc/39/45/44/946394544.db2.gz	HVGPQNWGNUAMNA-FQEVSTJZSA-N	1	0	356.470	1.824	20	30		FDEDRO
C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H](C)C[NH+]1CCOCC1	ZINC000823909664	946515693	/nfs/dbraw/zinc/51/56/93/946515693.db2.gz	MSCOPCAZDIXNOE-OAHLLOKOSA-N	1	0	370.457	1.350	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CN(c2cc(C)ncc2C#N)C[C@H]1C	ZINC001090777582	946537606	/nfs/dbraw/zinc/53/76/06/946537606.db2.gz	CEDVDWAOZORDJY-KBRIMQKVSA-N	1	0	361.465	1.883	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1	ZINC001090788243	946692693	/nfs/dbraw/zinc/69/26/93/946692693.db2.gz	LFARDVDHQNCOSF-GDBMZVCRSA-N	1	0	365.441	1.211	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]21	ZINC001573282760	946696789	/nfs/dbraw/zinc/69/67/89/946696789.db2.gz	NXUHLBOZSSFGKM-BPLDGKMQSA-N	1	0	353.430	1.048	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)nn1	ZINC000856624083	971265846	/nfs/dbraw/zinc/26/58/46/971265846.db2.gz	GQVGDARQYWFZHU-KRWDZBQOSA-N	1	0	370.457	1.604	20	30		FDEDRO
C#CCCCCCC(=O)N(C)[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1	ZINC001573283836	946728008	/nfs/dbraw/zinc/72/80/08/946728008.db2.gz	YQXATYARRKEOFY-CQSZACIVSA-N	1	0	355.446	1.526	20	30		FDEDRO
C#CCCCC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F	ZINC001573284542	946751075	/nfs/dbraw/zinc/75/10/75/946751075.db2.gz	GDOVJXFWTDNWJU-CYBMUJFWSA-N	1	0	358.421	1.746	20	30		FDEDRO
C=C(Br)C[NH2+][C@H](C)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001573292222	946928947	/nfs/dbraw/zinc/92/89/47/946928947.db2.gz	QJZXHDCBMHKXFI-SECBINFHSA-N	1	0	368.239	1.201	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1	ZINC001573292759	946937730	/nfs/dbraw/zinc/93/77/30/946937730.db2.gz	AVXTZQBDXNWCDJ-DZGCQCFKSA-N	1	0	369.473	1.983	20	30		FDEDRO
CC(C)N(CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)C(=O)[C@H](C)C#N	ZINC001573560806	946955496	/nfs/dbraw/zinc/95/54/96/946955496.db2.gz	GCGDXRWTONWHIH-CYBMUJFWSA-N	1	0	373.436	1.834	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)CCC[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573561673	946964540	/nfs/dbraw/zinc/96/45/40/946964540.db2.gz	LXBUOSLTDNDWIG-GFCCVEGCSA-N	1	0	359.409	1.446	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573294097	946978285	/nfs/dbraw/zinc/97/82/85/946978285.db2.gz	UJZGSWWHZCZTHJ-CJNGLKHVSA-N	1	0	357.462	1.991	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573564133	946990299	/nfs/dbraw/zinc/99/02/99/946990299.db2.gz	GIZDMGWQPQRJCB-NEPJUHHUSA-N	1	0	357.393	1.104	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1	ZINC001573295251	947011499	/nfs/dbraw/zinc/01/14/99/947011499.db2.gz	MUVVTZUGSXBXRI-NWDGAFQWSA-N	1	0	363.853	1.778	20	30		FDEDRO
C[C@H](COCC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1C)[NH+]1CCCC1	ZINC001090823449	947012584	/nfs/dbraw/zinc/01/25/84/947012584.db2.gz	XCJIEIPXKKVOIE-JFIYKMOQSA-N	1	0	371.485	1.395	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001573566511	947026527	/nfs/dbraw/zinc/02/65/27/947026527.db2.gz	COGIYTSKPMDLKE-ZBFHGGJFSA-N	1	0	367.457	1.887	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573566734	947032295	/nfs/dbraw/zinc/03/22/95/947032295.db2.gz	GFEVXLZYVRWAFN-QWHCGFSZSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1-c1nn[nH]n1	ZINC001573567903	947059358	/nfs/dbraw/zinc/05/93/58/947059358.db2.gz	URMZFKNAXIBCCH-IMJJTQAJSA-N	1	0	365.441	1.592	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1cccc(-c3nn[nH]n3)c1)CC2	ZINC001573571976	947107198	/nfs/dbraw/zinc/10/71/98/947107198.db2.gz	CCIMGOIQHZQNFQ-ACWOFJMJSA-N	1	0	365.441	1.640	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H]1CC12CC[NH+](Cc1ccc(-c3nn[nH]n3)cc1)CC2	ZINC001573573032	947117684	/nfs/dbraw/zinc/11/76/84/947117684.db2.gz	LJJSTJPYODENLP-BBRMVZONSA-N	1	0	365.441	1.497	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1(C)C	ZINC001573574119	947128871	/nfs/dbraw/zinc/12/88/71/947128871.db2.gz	QWXIOSINNCTNNV-CJNGLKHVSA-N	1	0	367.457	1.743	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@H](C)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573309708	947207748	/nfs/dbraw/zinc/20/77/48/947207748.db2.gz	NFOWKYQAJWXCEV-FZKQIMNGSA-N	1	0	358.446	1.130	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1C	ZINC001573584318	947218397	/nfs/dbraw/zinc/21/83/97/947218397.db2.gz	TZFUGNSBJFXCRP-YRGRVCCFSA-N	1	0	371.420	1.350	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1	ZINC001573584919	947239037	/nfs/dbraw/zinc/23/90/37/947239037.db2.gz	ATRQYXUZUXSPEW-CQDKDKBSSA-N	1	0	371.420	1.682	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1	ZINC001573585186	947249982	/nfs/dbraw/zinc/24/99/82/947249982.db2.gz	MFDSFIDWGSMVGP-MPESAESLSA-N	1	0	351.414	1.248	20	30		FDEDRO
C=CCC(C)(C)C(=O)NCC[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1	ZINC001573320380	947348796	/nfs/dbraw/zinc/34/87/96/947348796.db2.gz	XIJSXCBPEKTRTQ-UHFFFAOYSA-N	1	0	358.446	1.683	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2NCC#N)cc1	ZINC001090874606	947478860	/nfs/dbraw/zinc/47/88/60/947478860.db2.gz	NAZKBBVXJIQXIL-OTWHNJEPSA-N	1	0	358.486	1.689	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCNC(=O)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090874324	947524528	/nfs/dbraw/zinc/52/45/28/947524528.db2.gz	ASKLGHAYLXCBEQ-WAOWUJCRSA-N	1	0	371.481	1.682	20	30		FDEDRO
C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCC#CC[NH+](C)C	ZINC001573342422	947541419	/nfs/dbraw/zinc/54/14/19/947541419.db2.gz	XVVBBXAYIKIQSO-UHFFFAOYSA-N	1	0	353.430	1.129	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)[C@@H](C)C1	ZINC001573343968	947566502	/nfs/dbraw/zinc/56/65/02/947566502.db2.gz	VFRNLHFEIHFMKG-YOEHRIQHSA-N	1	0	370.457	1.396	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1c1ccc(OC)cc1	ZINC001090879016	947568227	/nfs/dbraw/zinc/56/82/27/947568227.db2.gz	HBGFPFUJAJUHFC-RCCFBDPRSA-N	1	0	357.454	1.386	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1c1ccc(OC)cc1	ZINC001090880744	947595354	/nfs/dbraw/zinc/59/53/54/947595354.db2.gz	IPDYMUDQUGNXOP-QKLQHJQFSA-N	1	0	357.454	1.291	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CCC(N)=O)cc2)C1	ZINC001196062707	971405065	/nfs/dbraw/zinc/40/50/65/971405065.db2.gz	VWGPGIMZISQQHH-BMGDILEWSA-N	1	0	359.470	1.234	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F	ZINC001573350917	947605747	/nfs/dbraw/zinc/60/57/47/947605747.db2.gz	LDTQJUXVSYWEAA-XFJVYGCCSA-N	1	0	374.420	1.191	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1c1ccc(OC)cc1	ZINC001090882524	947619155	/nfs/dbraw/zinc/61/91/55/947619155.db2.gz	HEITUVWXSKACQQ-FUHWJXTLSA-N	1	0	355.442	1.598	20	30		FDEDRO
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C	ZINC000844034517	947630794	/nfs/dbraw/zinc/63/07/94/947630794.db2.gz	BFGYTGFIXOFHQI-ZDUSSCGKSA-N	1	0	369.425	1.442	20	30		FDEDRO
CC#CCCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573358438	947663978	/nfs/dbraw/zinc/66/39/78/947663978.db2.gz	KOSQQBNJHUIVPY-QAQDUYKDSA-N	1	0	352.442	1.797	20	30		FDEDRO
Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N[C@H]3C[NH2+]C[C@H]3C#N)c12	ZINC000844195504	947866115	/nfs/dbraw/zinc/86/61/15/947866115.db2.gz	VIHCKHGHDIMALO-RISCZKNCSA-N	1	0	366.450	1.847	20	30		FDEDRO
CO[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1NC(=O)CCCC[NH+](C)C	ZINC001090903793	947873600	/nfs/dbraw/zinc/87/36/00/947873600.db2.gz	ZYPCSLQPUPDKDG-HUUCEWRRSA-N	1	0	365.503	1.375	20	30		FDEDRO
CC[C@H](C(=O)N[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@H]1OC)[NH+](C)C	ZINC001090904343	947882246	/nfs/dbraw/zinc/88/22/46/947882246.db2.gz	CNPASWOWLGFBOB-GMTAPVOTSA-N	1	0	371.894	1.328	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@](C)(O)CN(C)C(=O)OC(C)(C)C)CC1	ZINC000844287305	947952327	/nfs/dbraw/zinc/95/23/27/947952327.db2.gz	LHPOPWUSWDAWME-LJQANCHMSA-N	1	0	367.490	1.066	20	30		FDEDRO
CO[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1NC(=O)C1([NH+](C)C)CCC1	ZINC001090922569	947962781	/nfs/dbraw/zinc/96/27/81/947962781.db2.gz	LYFWSJNJQNPEJC-NVXWUHKLSA-N	1	0	360.433	1.501	20	30		FDEDRO
COC(=O)C1=NOC2(C1)CC[NH+](Cc1ccc(C#N)cc1[N+](=O)[O-])CC2	ZINC000844319516	947990078	/nfs/dbraw/zinc/99/00/78/947990078.db2.gz	SDRQEFCCRQIRPP-UHFFFAOYSA-N	1	0	358.354	1.750	20	30		FDEDRO
CN(C[C@H](O)C[N@H+](C)C[C@H](O)c1cccc(C#N)c1)C(=O)OC(C)(C)C	ZINC000844371289	947997926	/nfs/dbraw/zinc/99/79/26/947997926.db2.gz	MHINHIYXTAWGPF-SJORKVTESA-N	1	0	363.458	1.751	20	30		FDEDRO
C[N@@H+](C[C@H](O)c1cccc(C#N)c1)C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000844372399	948001517	/nfs/dbraw/zinc/00/15/17/948001517.db2.gz	YAWNFRDYBPAZKO-WMZOPIPTSA-N	1	0	371.393	1.872	20	30		FDEDRO
C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C[C@@H](O)c1cccc(C#N)c1	ZINC000844368225	948017510	/nfs/dbraw/zinc/01/75/10/948017510.db2.gz	XHIYVIWESQITJV-CYBMUJFWSA-N	1	0	372.347	1.302	20	30		FDEDRO
CO[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H]1NC(=O)CCC[NH+](C)C	ZINC001090934572	948039489	/nfs/dbraw/zinc/03/94/89/948039489.db2.gz	RQJQQYQWTPUTHA-VXGBXAGGSA-N	1	0	371.894	1.330	20	30		FDEDRO
CC[C@H](C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1OC)[NH+](CC)CC	ZINC001090945409	948043054	/nfs/dbraw/zinc/04/30/54/948043054.db2.gz	PICSEZFCURMWEW-KZNAEPCWSA-N	1	0	359.474	1.393	20	30		FDEDRO
N#Cc1cc(S(N)(=O)=O)ccc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1	ZINC000772905466	948096167	/nfs/dbraw/zinc/09/61/67/948096167.db2.gz	YVPNIFIHZZKUGS-FZKQIMNGSA-N	1	0	360.483	1.659	20	30		FDEDRO
CN(C)C(=O)CNC(=S)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000844596126	948233974	/nfs/dbraw/zinc/23/39/74/948233974.db2.gz	GPFAGHXVVZZCLP-UHFFFAOYSA-N	1	0	359.499	1.075	20	30		FDEDRO
CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(C#N)n2)C1)C(C)C	ZINC001090993823	948281926	/nfs/dbraw/zinc/28/19/26/948281926.db2.gz	UWHRHOMLGPNGHL-IIDMSEBBSA-N	1	0	358.490	1.395	20	30		FDEDRO
CC[NH+](CC)[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2C#N)C1)C(C)C	ZINC001090993869	948282419	/nfs/dbraw/zinc/28/24/19/948282419.db2.gz	XDBJMMCOJULTAD-OIISXLGYSA-N	1	0	358.490	1.973	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3COC[C@@H](C(=O)Nc4cnccn4)[C@@H]3C2)nc1	ZINC001144157497	948300113	/nfs/dbraw/zinc/30/01/13/948300113.db2.gz	LHFXOCWQAHVJKP-DJIMGWMZSA-N	1	0	364.409	1.076	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2CN(c3cc(C)ncc3C#N)C[C@@H]21	ZINC001091047659	948638124	/nfs/dbraw/zinc/63/81/24/948638124.db2.gz	IINZSCOTSPUZOQ-RBUKOAKNSA-N	1	0	371.485	1.410	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cccn3)n2)C1	ZINC001196123730	971496041	/nfs/dbraw/zinc/49/60/41/971496041.db2.gz	VRYRPVXZUWRLLX-DJIMGWMZSA-N	1	0	355.442	1.397	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NCC1CC([NH2+]Cc2cc(F)ccc2C#N)C1	ZINC001091075807	948993572	/nfs/dbraw/zinc/99/35/72/948993572.db2.gz	AGEKLVOUZBOVDO-AJSNELNMSA-N	1	0	361.417	1.486	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)ccc1F	ZINC000857008256	971528936	/nfs/dbraw/zinc/52/89/36/971528936.db2.gz	FRIWFKYPKNPFCJ-GUYCJALGSA-N	1	0	367.446	1.243	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)ccc1F	ZINC000857008254	971529120	/nfs/dbraw/zinc/52/91/20/971529120.db2.gz	FRIWFKYPKNPFCJ-CXAGYDPISA-N	1	0	367.446	1.243	20	30		FDEDRO
N#Cc1c(F)cccc1N1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1	ZINC001091112773	949294385	/nfs/dbraw/zinc/29/43/85/949294385.db2.gz	HXZPMYSMDJCERH-AEFFLSMTSA-N	1	0	360.433	1.239	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NCC2CC([NH2+]Cc3cccc(C#N)c3)C2)O1	ZINC001091096523	949311464	/nfs/dbraw/zinc/31/14/64/949311464.db2.gz	WSGZNKFAJUTSOW-YOODTLSXSA-N	1	0	356.470	1.262	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NCC2CC([NH2+]Cc3ccc(C#N)cc3)C2)O1	ZINC001091097782	949317979	/nfs/dbraw/zinc/31/79/79/949317979.db2.gz	VOAGGGHFYYTZKZ-YOODTLSXSA-N	1	0	356.470	1.262	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(C#N)CCOCC1	ZINC000845529958	949455976	/nfs/dbraw/zinc/45/59/76/949455976.db2.gz	VAXARXHWSFYCHP-CYBMUJFWSA-N	1	0	354.451	1.020	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCOc2ccccc2C)C[C@H]1O	ZINC001196276468	971602124	/nfs/dbraw/zinc/60/21/24/971602124.db2.gz	QOFJMKIAZSXINF-MKXGPGLRSA-N	1	0	374.481	1.516	20	30		FDEDRO
C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1	ZINC001574982945	950191564	/nfs/dbraw/zinc/19/15/64/950191564.db2.gz	IEGHGKZYURKEKW-JTQLQIEISA-N	1	0	368.376	1.114	20	30		FDEDRO
C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C)(C#N)CC1	ZINC000845928392	950201109	/nfs/dbraw/zinc/20/11/09/950201109.db2.gz	MGRQFPXAWLKSKG-AWEZNQCLSA-N	1	0	352.479	1.984	20	30		FDEDRO
C[C@H](C#N)OCCN1C(=O)NC2(CC[NH+](Cc3ccccc3)CC2)C1=O	ZINC000857225992	971657958	/nfs/dbraw/zinc/65/79/58/971657958.db2.gz	WYEWARCGQOULKH-OAHLLOKOSA-N	1	0	356.426	1.502	20	30		FDEDRO
C[C@@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1cccc(C#N)c1	ZINC001574754539	950572217	/nfs/dbraw/zinc/57/22/17/950572217.db2.gz	MFMXOZNJCHGTFS-LBPRGKRZSA-N	1	0	364.413	1.317	20	30		FDEDRO
CC(=O)NCc1nnn2c1C[N@H+]([C@@H](C)Cc1cccc(C#N)c1)CCC2	ZINC001171216262	950578051	/nfs/dbraw/zinc/57/80/51/950578051.db2.gz	GXAJKTRQIFPREK-AWEZNQCLSA-N	1	0	352.442	1.623	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)nc1	ZINC000846139223	950619262	/nfs/dbraw/zinc/61/92/62/950619262.db2.gz	XUXXLTPFNZEWEE-GVDBMIGSSA-N	1	0	372.473	1.293	20	30		FDEDRO
C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C#CC1CC1	ZINC001574520099	950711687	/nfs/dbraw/zinc/71/16/87/950711687.db2.gz	LOALBDWJKOQZGK-STQMWFEESA-N	1	0	370.432	1.792	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C	ZINC000846269293	950829543	/nfs/dbraw/zinc/82/95/43/950829543.db2.gz	VRTASGFEAMOQKK-KKUMJFAQSA-N	1	0	355.479	1.539	20	30		FDEDRO
CC[NH+]1CCN(CC(C)(C)NC(=O)Cc2ccc(OCC#N)cc2)CC1	ZINC000857300718	971706808	/nfs/dbraw/zinc/70/68/08/971706808.db2.gz	VWDXNJAUSONKJF-UHFFFAOYSA-N	1	0	358.486	1.664	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ccc3c(c2)nnn3C)C1	ZINC001091239053	951128096	/nfs/dbraw/zinc/12/80/96/951128096.db2.gz	LGTUOWISRFQDTL-FCJNSDPXSA-N	1	0	369.469	1.544	20	30		FDEDRO
C[C@@H](Cc1cccc(C#N)c1)N([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccccn1	ZINC001171228501	951163913	/nfs/dbraw/zinc/16/39/13/951163913.db2.gz	GXKIAGNGLRCSFX-MAUKXSAKSA-N	1	0	370.478	1.937	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CCN(C(=O)OC(C)(C)C)C2CC2)CC1	ZINC000846944139	951718621	/nfs/dbraw/zinc/71/86/21/951718621.db2.gz	VQJJLCWFDWHODA-UHFFFAOYSA-N	1	0	350.463	1.880	20	30		FDEDRO
C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)C#CC1CC1)C1CC1	ZINC001575089484	951751914	/nfs/dbraw/zinc/75/19/14/951751914.db2.gz	GEOGXYFXOXLWLH-GOSISDBHSA-N	1	0	370.482	1.716	20	30		FDEDRO
C[C@]12CN(C(=O)Cn3cccn3)C[C@H]1C[N@H+](Cc1ccc(F)c(C#N)c1)C2	ZINC001091482232	951864951	/nfs/dbraw/zinc/86/49/51/951864951.db2.gz	IMTXCUSEPVYPSX-XLIONFOSSA-N	1	0	367.428	1.874	20	30		FDEDRO
C[C@]12CN(C(=O)CCn3cncn3)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001091491026	951898337	/nfs/dbraw/zinc/89/83/37/951898337.db2.gz	DVXURAZJUAOEPZ-QUCCMNQESA-N	1	0	364.453	1.520	20	30		FDEDRO
C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1c[nH]c(C#N)c1	ZINC001575107677	951920626	/nfs/dbraw/zinc/92/06/26/951920626.db2.gz	HPBCMLAAWQQZQU-LBPRGKRZSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[C@H](C[NH2+]Cc1cccc(C#N)c1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001575113941	951949798	/nfs/dbraw/zinc/94/97/98/951949798.db2.gz	ISELLXOXQOLRBO-GFCCVEGCSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2C[N@H+](Cc3cnnn3-c3ccccc3)C[C@@]2(C)C1	ZINC001091543217	951980250	/nfs/dbraw/zinc/98/02/50/951980250.db2.gz	FYJZDMWFHSXIJL-QINHECLXSA-N	1	0	364.453	1.707	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)c3ccccc3)C[C@@]2(C)C1	ZINC001091543807	951982751	/nfs/dbraw/zinc/98/27/51/951982751.db2.gz	OOGSYSVVYMCQHX-YRNRMSPPSA-N	1	0	354.454	1.589	20	30		FDEDRO
C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NCCN1CCC[N@@H+](C)CC1	ZINC001146229606	952005177	/nfs/dbraw/zinc/00/51/77/952005177.db2.gz	DTXUPXFIUWSQRC-DNVCBOLYSA-N	1	0	366.506	1.210	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(CNC(C)=O)c1)C2	ZINC001110118663	952053194	/nfs/dbraw/zinc/05/31/94/952053194.db2.gz	CPLVCOAOWUPRCE-AABGKKOBSA-N	1	0	371.481	1.860	20	30		FDEDRO
C[C@H](c1cnccn1)[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@]2(C)C1	ZINC001091605608	952235564	/nfs/dbraw/zinc/23/55/64/952235564.db2.gz	ZGXKZJZSAVKIBW-LPMFXHHGSA-N	1	0	350.426	1.831	20	30		FDEDRO
C[C@]12CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]1C[N@H+](Cc1ccc(CO)cc1)C2	ZINC001091612754	952284657	/nfs/dbraw/zinc/28/46/57/952284657.db2.gz	BPECJTVGNPJNMY-NQIIRXRSSA-N	1	0	364.449	1.973	20	30		FDEDRO
Cn1nncc1C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@]2(C)C1	ZINC001091639547	952451604	/nfs/dbraw/zinc/45/16/04/952451604.db2.gz	JXRIIRWKCFJTNC-APWZRJJASA-N	1	0	350.426	1.281	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cl)c(OC)c2)C1	ZINC001196683720	971834452	/nfs/dbraw/zinc/83/44/52/971834452.db2.gz	NETVMHXDDVMVPH-HUUCEWRRSA-N	1	0	354.834	1.326	20	30		FDEDRO
CCn1ncc(C(=O)N2C[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@@]3(C)C2)n1	ZINC001091649184	952493423	/nfs/dbraw/zinc/49/34/23/952493423.db2.gz	BVJGXLGGQSGIES-XLIONFOSSA-N	1	0	364.453	1.764	20	30		FDEDRO
C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1	ZINC001091655750	952517290	/nfs/dbraw/zinc/51/72/90/952517290.db2.gz	OSEFMPFVQXDDPF-JUXOCIIHSA-N	1	0	371.525	1.827	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@@]3(C)C2)[nH]1	ZINC001091661336	952524610	/nfs/dbraw/zinc/52/46/10/952524610.db2.gz	HKONODMXNLUROU-NQIIRXRSSA-N	1	0	363.465	1.488	20	30		FDEDRO
C=C(Cl)CN1C[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@]2(C)C1	ZINC001091679646	952613463	/nfs/dbraw/zinc/61/34/63/952613463.db2.gz	ICYDYARRJPVQCW-QAPCUYQASA-N	1	0	365.909	1.591	20	30		FDEDRO
COc1ccc([C@@H]([NH2+]Cc2cc(=O)n3ncc(C#N)c3[nH]2)C2CC2)cn1	ZINC001196667854	971854101	/nfs/dbraw/zinc/85/41/01/971854101.db2.gz	ZXRYNJZNBSWZDE-KRWDZBQOSA-N	1	0	350.382	1.951	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cc(C(F)(F)F)n(C)n3)C[C@]2(C)C1	ZINC001091700203	952674836	/nfs/dbraw/zinc/67/48/36/952674836.db2.gz	FLLNTGGWIWPCOK-WBMJQRKESA-N	1	0	354.376	1.856	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3cccnc3)C2)C1	ZINC001148315199	952705880	/nfs/dbraw/zinc/70/58/80/952705880.db2.gz	FMRMCQFTDNSJKE-RYQLBKOJSA-N	1	0	368.481	1.410	20	30		FDEDRO
C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)C2)C1	ZINC001148424824	952727603	/nfs/dbraw/zinc/72/76/03/952727603.db2.gz	SFLBLQDUUBFUTQ-QZTJIDSGSA-N	1	0	358.486	1.789	20	30		FDEDRO
C=CCOC(=O)N1CCC(CNC(=O)c2ccc(NC(N)=[NH2+])cc2)CC1	ZINC001148656642	952762477	/nfs/dbraw/zinc/76/24/77/952762477.db2.gz	XGNFBCXLMHDAAE-UHFFFAOYSA-N	1	0	359.430	1.756	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCC(=O)N3)C2)c1	ZINC001086857601	952875837	/nfs/dbraw/zinc/87/58/37/952875837.db2.gz	LPSNUMOPPJSEMZ-LXZKKBNFSA-N	1	0	358.417	1.350	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3snnc3C)C2)cn1	ZINC001086857587	952876226	/nfs/dbraw/zinc/87/62/26/952876226.db2.gz	KXKIQWZPPOOJLB-XJKSGUPXSA-N	1	0	355.467	1.911	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cn(C(C)C)nn3)C2)nc1	ZINC001086856122	952901954	/nfs/dbraw/zinc/90/19/54/952901954.db2.gz	JSJPNSQMZDPSRR-DLBZAZTESA-N	1	0	366.469	1.924	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(C3CC3)[nH]c2=O)C1	ZINC001196716021	971878909	/nfs/dbraw/zinc/87/89/09/971878909.db2.gz	BMANXNUGXHPFRR-HZPDHXFCSA-N	1	0	360.458	1.581	20	30		FDEDRO
CC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001086884592	952937500	/nfs/dbraw/zinc/93/75/00/952937500.db2.gz	LKWOKGGLZCQWAQ-PWIZWCRZSA-N	1	0	368.481	1.944	20	30		FDEDRO
C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C2)CC1	ZINC001086933759	952947645	/nfs/dbraw/zinc/94/76/45/952947645.db2.gz	VYKAOEFWTBOHSI-BBWFWOEESA-N	1	0	361.486	1.136	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCc2cccs2)C1	ZINC001086971283	952973886	/nfs/dbraw/zinc/97/38/86/952973886.db2.gz	HCWLVOLDOVTINW-RRQGHBQHSA-N	1	0	357.483	1.768	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cnc3n[nH]cc3c2)C[C@H]1c1cnn(C)c1	ZINC001086983726	952997728	/nfs/dbraw/zinc/99/77/28/952997728.db2.gz	FBKJPFZDYBZHPC-DLBZAZTESA-N	1	0	365.441	1.465	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(C)noc2C(F)F)C[C@H]1c1cnn(C)c1	ZINC001086983938	952997940	/nfs/dbraw/zinc/99/79/40/952997940.db2.gz	PUVXUDMWDLSOKQ-QWHCGFSZSA-N	1	0	363.368	1.485	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccccc2COC)C[C@H]1c1cnn(C)c1	ZINC001086986113	953005480	/nfs/dbraw/zinc/00/54/80/953005480.db2.gz	WXCBYUBMXGPANC-RBUKOAKNSA-N	1	0	352.438	1.398	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c(OC)ccnc2OC)C[C@H]1c1cnn(C)c1	ZINC001086987518	953010004	/nfs/dbraw/zinc/01/00/04/953010004.db2.gz	WVNVMHTYMRKZTO-LSDHHAIUSA-N	1	0	371.441	1.216	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2conc2C(F)(F)F)C[C@H]1c1cnn(C)c1	ZINC001086987590	953010701	/nfs/dbraw/zinc/01/07/01/953010701.db2.gz	AYEHHXLQMWCCID-WCQYABFASA-N	1	0	367.331	1.258	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@H]1c1cnn(C)c1	ZINC001086988062	953011568	/nfs/dbraw/zinc/01/15/68/953011568.db2.gz	AOEHIYCJQJYMEK-GPFWEFOESA-N	1	0	358.486	1.695	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2ccn(C(C)C)n2)C[C@H]1c1cnn(C)c1	ZINC001086989291	953013718	/nfs/dbraw/zinc/01/37/18/953013718.db2.gz	TXXPGMNRLUTQCO-RBUKOAKNSA-N	1	0	370.501	1.900	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(C)ccnc2OCC)C[C@H]1c1cnn(C)c1	ZINC001086989359	953014265	/nfs/dbraw/zinc/01/42/65/953014265.db2.gz	XNOVVMRBJKLWOZ-DLBZAZTESA-N	1	0	367.453	1.353	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2c(C)c(C)n[nH]c2=O)C[C@H]1c1cnn(C)c1	ZINC001086990326	953017377	/nfs/dbraw/zinc/01/73/77/953017377.db2.gz	WVECCTOKJPVBQL-JKSUJKDBSA-N	1	0	370.457	1.306	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nsc3ccccc32)C[C@H]1c1cnn(C)c1	ZINC001086980516	953029848	/nfs/dbraw/zinc/02/98/48/953029848.db2.gz	GTOVMLFCWYSXNH-JKSUJKDBSA-N	1	0	365.462	1.861	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1c1cnn(C)c1	ZINC001086997222	953040143	/nfs/dbraw/zinc/04/01/43/953040143.db2.gz	SLRVGFUJAKEFGS-XOKHGSTOSA-N	1	0	365.909	1.398	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CC2CC3(CCC3)C2)C[C@H]1O	ZINC001196692124	971892357	/nfs/dbraw/zinc/89/23/57/971892357.db2.gz	VPTZMIGWHQIJIF-KZNAEPCWSA-N	1	0	363.502	1.199	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc3nsnc32)C[C@H]1c1cnn(C)c1	ZINC001087004277	953061898	/nfs/dbraw/zinc/06/18/98/953061898.db2.gz	PDXWKZOHFMKISQ-GOEBONIOSA-N	1	0	366.450	1.256	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ncsc2C(C)C)C[C@H]1c1cnn(C)c1	ZINC001087005200	953064169	/nfs/dbraw/zinc/06/41/69/953064169.db2.gz	QISNIZLWNWXKSE-LSDHHAIUSA-N	1	0	357.483	1.831	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn([C@@H](C)CC)c2C)C[C@H]1c1cnn(C)c1	ZINC001087005310	953064324	/nfs/dbraw/zinc/06/43/24/953064324.db2.gz	WUHJFZPRRLXMRB-ZOCIIQOWSA-N	1	0	368.485	1.727	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2c3c(nn2C)CCC3)C[C@H]1c1cnn(C)c1	ZINC001087005816	953065282	/nfs/dbraw/zinc/06/52/82/953065282.db2.gz	VSAFYFHJUXSCDV-FUHWJXTLSA-N	1	0	368.485	1.416	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1cnn(C)c1	ZINC001087006206	953089432	/nfs/dbraw/zinc/08/94/32/953089432.db2.gz	OYRIIFHSJQCSNK-JKSUJKDBSA-N	1	0	363.893	1.152	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COc3ccccc3O2)C[C@H]1c1cnn(C)c1	ZINC001087008323	953095221	/nfs/dbraw/zinc/09/52/21/953095221.db2.gz	ZKHAZIBKNPBLNM-FCEWJHQRSA-N	1	0	368.437	1.330	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)CC)cc2)C[C@H]1c1cnn(C)c1	ZINC001087011807	953105103	/nfs/dbraw/zinc/10/51/03/953105103.db2.gz	QUKBDSRHFWKSGC-VQTJNVASSA-N	1	0	365.481	1.707	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccccc2N(C)C)C[C@H]1c1cnn(C)c1	ZINC001087012323	953106530	/nfs/dbraw/zinc/10/65/30/953106530.db2.gz	RABADWJEFVUVMJ-ZWKOTPCHSA-N	1	0	351.454	1.317	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cnsn2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087029490	953120378	/nfs/dbraw/zinc/12/03/78/953120378.db2.gz	WZQZOLLYJJRCTF-NVXWUHKLSA-N	1	0	371.466	1.677	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)OC)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001087031549	953128412	/nfs/dbraw/zinc/12/84/12/953128412.db2.gz	GGLGTHVVOBHTJU-WOSRLPQWSA-N	1	0	351.472	1.608	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1ncc(Cl)s1	ZINC001087035629	953145681	/nfs/dbraw/zinc/14/56/81/953145681.db2.gz	ICOUYWLGMZCQHO-QJPTWQEYSA-N	1	0	356.879	1.909	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1cccc(COC)c1	ZINC001087036030	953146690	/nfs/dbraw/zinc/14/66/90/953146690.db2.gz	WCSBJXVDUCNIEA-ATZDWAIDSA-N	1	0	359.470	1.946	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1cnc(C)o1	ZINC001087040074	953156880	/nfs/dbraw/zinc/15/68/80/953156880.db2.gz	QBSWCVMNJSCFAU-RHSMWYFYSA-N	1	0	357.414	1.450	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1nocc1C	ZINC001087040230	953157161	/nfs/dbraw/zinc/15/71/61/953157161.db2.gz	XYAVZMWVQKCHGV-RHSMWYFYSA-N	1	0	357.414	1.450	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1coc(C2CC2)n1	ZINC001087052665	953183853	/nfs/dbraw/zinc/18/38/53/953183853.db2.gz	GLAZIJBEYUBPPC-SJLPKXTDSA-N	1	0	357.454	1.919	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H]2CCCNC2=O)[C@H](OCC)C1	ZINC001087057586	953192096	/nfs/dbraw/zinc/19/20/96/953192096.db2.gz	KWDJUCHKBHZQFQ-RBSFLKMASA-N	1	0	371.909	1.497	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1cnc(C)o1	ZINC001087045971	953192715	/nfs/dbraw/zinc/19/27/15/953192715.db2.gz	CGMVXAHRWONAQO-CXAGYDPISA-N	1	0	357.414	1.450	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cnco2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087070483	953222391	/nfs/dbraw/zinc/22/23/91/953222391.db2.gz	RRCUTUWDUKUFJG-SJLPKXTDSA-N	1	0	354.410	1.813	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]C[C@@H]3CCCOC3)[C@H](OCC)C2)c1	ZINC001087082707	953241336	/nfs/dbraw/zinc/24/13/36/953241336.db2.gz	WULMMNIFQIBOEB-DFQSSKMNSA-N	1	0	371.481	1.556	20	30		FDEDRO
C=C(Cl)CN1C[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@]2(C)C1	ZINC001091784300	953301339	/nfs/dbraw/zinc/30/13/39/953301339.db2.gz	VPMPVIZJYRWCNS-APWZRJJASA-N	1	0	369.937	1.878	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CCN1c1nccnc1C#N	ZINC001091785758	953303956	/nfs/dbraw/zinc/30/39/56/953303956.db2.gz	BTBOBFBCUPFBGT-JQHSSLGASA-N	1	0	370.501	1.942	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1	ZINC001196803324	971922698	/nfs/dbraw/zinc/92/26/98/971922698.db2.gz	DLXKISYINSZTHC-BSDSXHPESA-N	1	0	364.873	1.807	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C1	ZINC001196780871	971928507	/nfs/dbraw/zinc/92/85/07/971928507.db2.gz	BGMUCTNFHXZAGC-KLHDSHLOSA-N	1	0	350.484	1.524	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cn(C)nc3[C@H]3CCOC3)C[C@]2(C)C1	ZINC001091887774	953529346	/nfs/dbraw/zinc/52/93/46/953529346.db2.gz	UNDNRWGVCRMMKL-YRNRMSPPSA-N	1	0	356.470	1.341	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cc(F)c[nH]4)C[C@]3(C)C2)C1=O	ZINC001091862349	953598393	/nfs/dbraw/zinc/59/83/93/953598393.db2.gz	JNPLSIMNMTVQNN-AZOIQLNYSA-N	1	0	360.433	1.335	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CCN(c3ccc(C#N)nn3)C[C@H]2C1	ZINC001091866499	953614722	/nfs/dbraw/zinc/61/47/22/953614722.db2.gz	ZLERBUBWVWGXCY-CABCVRRESA-N	1	0	356.474	1.363	20	30		FDEDRO
C[N@H+](CC(=O)N1C[C@H]2CCN(c3cncc(C#N)n3)C[C@H]2C1)CC(C)(C)C	ZINC001091870580	953626944	/nfs/dbraw/zinc/62/69/44/953626944.db2.gz	WIVXMUIYKVXKDF-CVEARBPZSA-N	1	0	370.501	1.611	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001091937779	953788005	/nfs/dbraw/zinc/78/80/05/953788005.db2.gz	VWYRTMMKPBGKBI-AGRFSFNASA-N	1	0	351.450	1.731	20	30		FDEDRO
CN1C(=O)CC[C@@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@@]2(C)C1	ZINC001091945252	953806818	/nfs/dbraw/zinc/80/68/18/953806818.db2.gz	RAOXFASMQXXLQL-OPYAIIAOSA-N	1	0	366.465	1.459	20	30		FDEDRO
C[C@]12CN(C(=O)[C@]3(F)CCOC3)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001091951759	953829099	/nfs/dbraw/zinc/82/90/99/953829099.db2.gz	YHPGIVQUBZHHOE-GIVPXCGWSA-N	1	0	356.441	1.947	20	30		FDEDRO
C[C@]12CN(C(=O)[C@]3(C)CCC(=O)N3)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001091986275	953877578	/nfs/dbraw/zinc/87/75/78/953877578.db2.gz	DFILVJXHXBHTDZ-COPCDDAFSA-N	1	0	365.477	1.487	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3C[N@H+](CC4CCOCC4)C[C@@]3(C)C2)c1	ZINC001091997405	953915796	/nfs/dbraw/zinc/91/57/96/953915796.db2.gz	BVHCAGLTMADDTM-CTNGQTDRSA-N	1	0	353.466	1.883	20	30		FDEDRO
CC[NH+](CC)[C@H](C(=O)N[C@H]1CCN(c2cncc(C#N)n2)[C@@H]1C)C(C)C	ZINC001092000212	953926092	/nfs/dbraw/zinc/92/60/92/953926092.db2.gz	NSZOAECMCDWJBQ-HFTRVMKXSA-N	1	0	358.490	1.798	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCCC2)CCN1c1nccnc1C#N	ZINC001091971996	953955152	/nfs/dbraw/zinc/95/51/52/953955152.db2.gz	CVJHHSZBDZSWQW-CVEARBPZSA-N	1	0	356.474	1.698	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCN(c2ccncc2C#N)[C@@H]1C	ZINC001091972489	953957976	/nfs/dbraw/zinc/95/79/76/953957976.db2.gz	GAIUHFOKZJVQOJ-INMHGKMJSA-N	1	0	357.458	1.005	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3C[N@H+](CC[C@H]4CCOC4)C[C@@]3(C)C2)nn1	ZINC001092079672	954226685	/nfs/dbraw/zinc/22/66/85/954226685.db2.gz	SSICHMOSOKZZSE-FCEWJHQRSA-N	1	0	359.474	1.285	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCc3cnn(C)c3)C[C@@]2(C)C1	ZINC001092090397	954251795	/nfs/dbraw/zinc/25/17/95/954251795.db2.gz	OQPJIMJCVNHFIK-JKBKZWBZSA-N	1	0	372.513	1.724	20	30		FDEDRO
Cn1ncc(C(=O)N2C[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@@]3(C)C2)n1	ZINC001092095731	954276978	/nfs/dbraw/zinc/27/69/78/954276978.db2.gz	NVLRRYAIROJQRO-APWZRJJASA-N	1	0	350.426	1.281	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4oncc4C)C[C@]3(C)C2)C1=O	ZINC001092163018	954422807	/nfs/dbraw/zinc/42/28/07/954422807.db2.gz	UOYGOCOSEWHNKN-VCBZYWHSSA-N	1	0	358.442	1.164	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cc4c([nH]c3=O)CCOC4)C[C@]2(C)C1	ZINC001092185295	954483345	/nfs/dbraw/zinc/48/33/45/954483345.db2.gz	BOHPZSAKGJSIQI-QRWLVFNGSA-N	1	0	355.438	1.277	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3cc4c([nH]c3=O)CCOC4)C[C@]2(C)C1	ZINC001092186023	954486468	/nfs/dbraw/zinc/48/64/68/954486468.db2.gz	UELYSMLXDBCIGC-QRWLVFNGSA-N	1	0	357.454	1.830	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1C[C@H]2CN(c3ccc(C#N)cn3)C[C@@]2(C)C1	ZINC001092297307	954733082	/nfs/dbraw/zinc/73/30/82/954733082.db2.gz	KEDQBMSYKNBTNC-XLIONFOSSA-N	1	0	355.486	1.970	20	30		FDEDRO
C=C[C@@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@]2(C)C1)c1ccccc1	ZINC001092294546	954903388	/nfs/dbraw/zinc/90/33/88/954903388.db2.gz	WMUQDRYMIIMGQG-KNKQGSTJSA-N	1	0	367.493	1.969	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CNC(=O)CCC[NH+]1CCCCC1	ZINC001092366140	955032075	/nfs/dbraw/zinc/03/20/75/955032075.db2.gz	AYUSOWCMFVIKGR-IAGOWNOFSA-N	1	0	370.501	1.803	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CNC(=O)CC[NH+]1CCCCC1	ZINC001092374966	955050919	/nfs/dbraw/zinc/05/09/19/955050919.db2.gz	QLBQDHNEPWEEAT-HZPDHXFCSA-N	1	0	356.474	1.413	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1	ZINC001092423990	955061554	/nfs/dbraw/zinc/06/15/54/955061554.db2.gz	ZWHLHBVPWISRBZ-OGWOLHLISA-N	1	0	368.485	1.411	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CNC(=O)CC1([NH+](C)C)CCCC1	ZINC001092425817	955067400	/nfs/dbraw/zinc/06/74/00/955067400.db2.gz	LZBLXHDGPIAKAO-HZPDHXFCSA-N	1	0	370.501	1.801	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@H](C)C2)n1	ZINC001092434993	955088890	/nfs/dbraw/zinc/08/88/90/955088890.db2.gz	VZWFCSCVFROAAZ-UKRRQHHQSA-N	1	0	356.474	1.187	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1	ZINC001092408856	955135728	/nfs/dbraw/zinc/13/57/28/955135728.db2.gz	YYJBYXCKRNOGCP-HZPDHXFCSA-N	1	0	370.501	1.801	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)c1cnns1	ZINC001092485644	955242062	/nfs/dbraw/zinc/24/20/62/955242062.db2.gz	HIDDDVWLLSWQEW-UKRRQHHQSA-N	1	0	371.466	1.938	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3ccnc(F)c3)[C@H](C)C2)C1=O	ZINC001092498231	955265016	/nfs/dbraw/zinc/26/50/16/955265016.db2.gz	UIHKKDOMXXRPNF-FVQBIDKESA-N	1	0	360.433	1.305	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@@H](C)[C@H](CCNC(=O)[C@H]3CC[N@H+](C)C3)C2)n1	ZINC001092520117	955308601	/nfs/dbraw/zinc/30/86/01/955308601.db2.gz	QYYUCKXIIVQCLY-OLMNPRSZSA-N	1	0	355.486	1.792	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3CCOC3)[C@H](C)C2)c1	ZINC001092495276	955359387	/nfs/dbraw/zinc/35/93/87/955359387.db2.gz	FZNALFXGSFMHPO-KBAYOESNSA-N	1	0	369.465	1.327	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC001092531982	955495977	/nfs/dbraw/zinc/49/59/77/955495977.db2.gz	KBJGQBFYBKDDPZ-RDTXWAMCSA-N	1	0	352.438	1.877	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1	ZINC001092532330	955497688	/nfs/dbraw/zinc/49/76/88/955497688.db2.gz	CWMYJAFECWPQSB-GDBMZVCRSA-N	1	0	356.474	1.269	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1CNC(=O)c1cn(C)nn1	ZINC001092587678	955557383	/nfs/dbraw/zinc/55/73/83/955557383.db2.gz	MGSZVZORCZGUGP-GDBMZVCRSA-N	1	0	371.872	1.818	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CCNC(=O)C[N@@H+]1CCC[C@@H]1C	ZINC001092588251	955560064	/nfs/dbraw/zinc/56/00/64/955560064.db2.gz	KXORUCNMWILFKX-OWCLPIDISA-N	1	0	356.474	1.411	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)n1	ZINC001092571079	955678274	/nfs/dbraw/zinc/67/82/74/955678274.db2.gz	KVDWEWRCWUJYMH-KYJSFNMBSA-N	1	0	370.501	1.720	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)c1cc(=O)n(C)o1	ZINC001092573348	955689041	/nfs/dbraw/zinc/68/90/41/955689041.db2.gz	QEUKMHWLERFXTB-NVXWUHKLSA-N	1	0	353.422	1.328	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1C	ZINC001092676975	955991580	/nfs/dbraw/zinc/99/15/80/955991580.db2.gz	RVDXULZSABNHOV-BZUAXINKSA-N	1	0	358.486	1.639	20	30		FDEDRO
C[NH+](C)CCCCC(=O)NC[C@]12CCC[C@H]1N(c1cnc(C#N)cn1)CC2	ZINC001092700703	956090553	/nfs/dbraw/zinc/09/05/53/956090553.db2.gz	INTBMNMPKOMAGZ-YLJYHZDGSA-N	1	0	370.501	1.945	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1N(c1ccc(C#N)nn1)CC2	ZINC001092701065	956092939	/nfs/dbraw/zinc/09/29/39/956092939.db2.gz	RLIYTOWVGHYCHB-YLJYHZDGSA-N	1	0	370.501	1.945	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)c1cn[nH]c(=O)c1	ZINC001092702877	956103053	/nfs/dbraw/zinc/10/30/53/956103053.db2.gz	VJIBPXPIVFVVRA-MLGOLLRUSA-N	1	0	369.400	1.691	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCn2ccnn2)C3)cc1	ZINC001110489171	972154995	/nfs/dbraw/zinc/15/49/95/972154995.db2.gz	ACMOZLDHUKMRAX-KURKYZTESA-N	1	0	350.426	1.462	20	30		FDEDRO
C[NH+](C)CC1(C(=O)NC[C@]23CCC[C@H]2N(c2ccnc(C#N)n2)CC3)CC1	ZINC001092709887	956139107	/nfs/dbraw/zinc/13/91/07/956139107.db2.gz	KNXPUARYPDOSQW-DNVCBOLYSA-N	1	0	368.485	1.555	20	30		FDEDRO
C=CCOc1ccccc1C(=O)NC[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1C	ZINC001092739706	956234149	/nfs/dbraw/zinc/23/41/49/956234149.db2.gz	AMJRNKYDGWZRES-NUJGCVRESA-N	1	0	371.481	1.828	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)c1ccc(C(N)=O)o1	ZINC001092807123	956374126	/nfs/dbraw/zinc/37/41/26/956374126.db2.gz	KSKHNSUFFZOQGT-CZUORRHYSA-N	1	0	366.421	1.748	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3cc(C)c(C)cn3)[C@H](C)C2)C1=O	ZINC001092844696	956478539	/nfs/dbraw/zinc/47/85/39/956478539.db2.gz	LFKOUSGFBSLYIT-LMMKCTJWSA-N	1	0	370.497	1.783	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)c1c[nH]c(=O)n1C	ZINC001092886602	956673908	/nfs/dbraw/zinc/67/39/08/956673908.db2.gz	WUAQNJMYUIJZED-IUODEOHRSA-N	1	0	371.416	1.634	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)c1c[nH]c(=O)cn1	ZINC001092919703	956786632	/nfs/dbraw/zinc/78/66/32/956786632.db2.gz	XJIFSOYBSRIASG-CZUORRHYSA-N	1	0	351.410	1.139	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N	ZINC001092888402	956798364	/nfs/dbraw/zinc/79/83/64/956798364.db2.gz	ZXOUQBFDYQPGIA-HOSILWTGSA-N	1	0	360.437	1.254	20	30		FDEDRO
CCc1nc(C#N)cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)C3)n1	ZINC001092889988	956802732	/nfs/dbraw/zinc/80/27/32/956802732.db2.gz	SUOSPAUDTZDQOY-PMPSAXMXSA-N	1	0	370.501	1.867	20	30		FDEDRO
Cc1nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2([NH+](C)C)CCC2)C3)ccc1C#N	ZINC001092890971	956803598	/nfs/dbraw/zinc/80/35/98/956803598.db2.gz	ADBANQCAXOEJOR-IKGGRYGDSA-N	1	0	353.470	1.972	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@@H]1CCN(C)C1=O	ZINC001092896306	956821762	/nfs/dbraw/zinc/82/17/62/956821762.db2.gz	QARCLOVOSUNCDX-OLMNPRSZSA-N	1	0	354.454	1.221	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]2C)c1	ZINC001092952609	956885892	/nfs/dbraw/zinc/88/58/92/956885892.db2.gz	OACGDGQNIHILGY-OLMNPRSZSA-N	1	0	364.453	1.140	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)c1cn(C)c(=O)[nH]1	ZINC001092937047	956958847	/nfs/dbraw/zinc/95/88/47/956958847.db2.gz	METRHPLQXJFOPK-NVXWUHKLSA-N	1	0	352.438	1.475	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cc(OC)ns2)C[C@H]1C	ZINC001092978109	956977100	/nfs/dbraw/zinc/97/71/00/956977100.db2.gz	ZMVZUDSJPQBMQZ-XOUADPBQSA-N	1	0	365.499	1.927	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](C[C@@H](O)COCC(C)C)CC1	ZINC001197411730	972238558	/nfs/dbraw/zinc/23/85/58/972238558.db2.gz	VQOOGAIGLDOROH-QYZOEREBSA-N	1	0	368.518	1.535	20	30		FDEDRO
COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)CCC3(C)CC3)C2)cc1C#N	ZINC001197449304	972235174	/nfs/dbraw/zinc/23/51/74/972235174.db2.gz	ACRZJROTGMKTEP-IAGOWNOFSA-N	1	0	357.454	1.808	20	30		FDEDRO
C=CC[NH+](CC=C)CCN1CCN(S(=O)(=O)Cc2cccnc2)CC1	ZINC001197450329	972236033	/nfs/dbraw/zinc/23/60/33/972236033.db2.gz	YOQHIUAGEDMTGI-UHFFFAOYSA-N	1	0	364.515	1.203	20	30		FDEDRO
Cc1ccc(C#N)c(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C3)n1	ZINC001093022913	957159007	/nfs/dbraw/zinc/15/90/07/957159007.db2.gz	JICBJLGKVYBNJV-BDXSIMOUSA-N	1	0	353.470	1.828	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]2C)cc1	ZINC001093031874	957243855	/nfs/dbraw/zinc/24/38/55/957243855.db2.gz	LLOVSCXJHRKKCK-JFIYKMOQSA-N	1	0	371.481	1.473	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1C	ZINC001093039880	957263212	/nfs/dbraw/zinc/26/32/12/957263212.db2.gz	BEHFYETUKTUAHQ-RRIFGTCXSA-N	1	0	363.502	1.273	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3c(C)n[nH]c3C)[C@H](C)C2)C1=O	ZINC001093059330	957284059	/nfs/dbraw/zinc/28/40/59/957284059.db2.gz	HGPOPKYNDXNODN-WQVCFCJDSA-N	1	0	359.474	1.111	20	30		FDEDRO
N#Cc1cncc(N2C[C@@H]3CCC[C@]3(NC(=O)CC[NH+]3CCCCC3)C2)n1	ZINC001093087937	957500544	/nfs/dbraw/zinc/50/05/44/957500544.db2.gz	ZVTWUJMQMVMMCI-JXFKEZNVSA-N	1	0	368.485	1.699	20	30		FDEDRO
CCOC(=O)[C@@H](C#N)NC(=O)c1cccc(CN2CCC[N@H+](C)CC2)c1	ZINC001197521309	972273907	/nfs/dbraw/zinc/27/39/07/972273907.db2.gz	SPFHXTNDIVMOOK-QGZVFWFLSA-N	1	0	358.442	1.009	20	30		FDEDRO
COc1c(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)cnn1C	ZINC001093162527	957710136	/nfs/dbraw/zinc/71/01/36/957710136.db2.gz	PJUXHHAEWQSLNJ-RHSMWYFYSA-N	1	0	367.453	1.798	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nccn3cc(C)nc23)C1	ZINC001197551681	972298855	/nfs/dbraw/zinc/29/88/55/972298855.db2.gz	OXOOAZOKCMZCOE-HZPDHXFCSA-N	1	0	359.474	1.783	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@@H]1CCC(=O)N(C)C1	ZINC001093230512	957866515	/nfs/dbraw/zinc/86/65/15/957866515.db2.gz	IGBQRJBKVANRSL-ATZDWAIDSA-N	1	0	368.481	1.611	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3ccc(F)s3)[C@H](C)C2)C1=O	ZINC001093246430	957918300	/nfs/dbraw/zinc/91/83/00/957918300.db2.gz	VNHDGSRFKVJNEU-MCIONIFRSA-N	1	0	365.474	1.972	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3cnccc3C)C[C@H]2C)C1=O	ZINC001093270936	957937716	/nfs/dbraw/zinc/93/77/16/957937716.db2.gz	CYTKDLRJACOSCB-ZHALLVOQSA-N	1	0	370.497	1.865	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3cnns3)C[C@H]2C)C1=O	ZINC001093272181	957940454	/nfs/dbraw/zinc/94/04/54/957940454.db2.gz	OXWOHOUODHIEHI-MGPQQGTHSA-N	1	0	363.487	1.013	20	30		FDEDRO
CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)C1=O	ZINC001093275295	957945725	/nfs/dbraw/zinc/94/57/25/957945725.db2.gz	XVAKVHRZMMQGIO-CPUCHLNUSA-N	1	0	357.458	1.195	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@@H]2[N@H+](CC(N)=O)CC23CCC3)CC1	ZINC001093379998	958019096	/nfs/dbraw/zinc/01/90/96/958019096.db2.gz	OLCXNWHKAVSWFV-RYRKJORJSA-N	1	0	361.486	1.156	20	30		FDEDRO
C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1C[C@@H](C)CC(=O)N1)CCO2	ZINC001093398180	958037606	/nfs/dbraw/zinc/03/76/06/958037606.db2.gz	NIDGXEHSOZBXPZ-NZEHOUKNSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(=O)[nH]n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093429154	958049873	/nfs/dbraw/zinc/04/98/73/958049873.db2.gz	ZGMPJCPDWCZXMT-IIHSZXCVSA-N	1	0	360.458	1.338	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc[nH]c(=O)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093438427	958071293	/nfs/dbraw/zinc/07/12/93/958071293.db2.gz	FBYRDKSHYDMNEY-HBXLWWENSA-N	1	0	359.470	1.943	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nccc(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093441738	958078570	/nfs/dbraw/zinc/07/85/70/958078570.db2.gz	AJSLYIVGHRLUSY-VIPLHTEESA-N	1	0	358.486	1.941	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(CC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093442982	958082255	/nfs/dbraw/zinc/08/22/55/958082255.db2.gz	MUUHWBAWTZPDHU-NWGLXNPWSA-N	1	0	361.490	1.454	20	30		FDEDRO
Cc1ncoc1C[NH2+][C@@H]1C[C@]2(CN(C(=O)C#CC3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093443047	958084244	/nfs/dbraw/zinc/08/42/44/958084244.db2.gz	NRCAMSOGILUKNF-SGLNWRHMSA-N	1	0	371.481	1.863	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)ncn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093443577	958085695	/nfs/dbraw/zinc/08/56/95/958085695.db2.gz	PLCMMGLJMBOYMR-MLYOOKFZSA-N	1	0	358.486	1.941	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nn(C)cc3Cl)[C@@H]2C(C)C)C[C@H]1O	ZINC001093446495	958095248	/nfs/dbraw/zinc/09/52/48/958095248.db2.gz	IIQBIGWEORFOGY-GZOSKZMVSA-N	1	0	366.893	1.839	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncc4nc[nH]c43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093446880	958098147	/nfs/dbraw/zinc/09/81/47/958098147.db2.gz	NPFMCSTVOBMEKF-ODZKNYGOSA-N	1	0	367.453	1.171	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(CC)ccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093447399	958099791	/nfs/dbraw/zinc/09/97/91/958099791.db2.gz	VGGHYFWGXNKQDQ-ANTGDGSKSA-N	1	0	355.482	1.857	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)nnn3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001093448274	958107479	/nfs/dbraw/zinc/10/74/79/958107479.db2.gz	GUVMRGGJSOZZTR-IIHSZXCVSA-N	1	0	361.490	1.372	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn4c3CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093448384	958107512	/nfs/dbraw/zinc/10/75/12/958107512.db2.gz	IJJSDAZCCVQJTK-UIXUWTQFSA-N	1	0	358.486	1.595	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn4c3CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093448382	958107849	/nfs/dbraw/zinc/10/78/49/958107849.db2.gz	IJJSDAZCCVQJTK-LBKNJMOBSA-N	1	0	358.486	1.595	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)nnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093449504	958116659	/nfs/dbraw/zinc/11/66/59/958116659.db2.gz	PBTLHOVFUDCMEB-FTEYMNFISA-N	1	0	358.486	1.859	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)nnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093449795	958117447	/nfs/dbraw/zinc/11/74/47/958117447.db2.gz	QLMJFTGCZYJFEL-XSYGEPLQSA-N	1	0	356.470	1.306	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc4cc[nH]c4n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093451100	958131098	/nfs/dbraw/zinc/13/10/98/958131098.db2.gz	QYEYCMPBVMTYLH-WIRSXHRWSA-N	1	0	366.465	1.776	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc4n[nH]nc4c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093451285	958132334	/nfs/dbraw/zinc/13/23/34/958132334.db2.gz	SNFGCJZMTFNAOA-JEWRLFTDSA-N	1	0	370.457	1.119	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc4n[nH]cc4c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093451582	958134159	/nfs/dbraw/zinc/13/41/59/958134159.db2.gz	VWKWTSKOKXDULI-WOCWXWTJSA-N	1	0	367.453	1.171	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH]nc3CCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452276	958139658	/nfs/dbraw/zinc/13/96/58/958139658.db2.gz	GFHHHAVWTFZQTA-SOAMZJECSA-N	1	0	358.486	1.575	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(=O)Nc3ccccc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452347	958174463	/nfs/dbraw/zinc/17/44/63/958174463.db2.gz	HHTIEOSPNQJSFN-IKVWTGGYSA-N	1	0	369.465	1.224	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(CC=C)nn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093464490	958199467	/nfs/dbraw/zinc/19/94/67/958199467.db2.gz	BUVSDHYQRSJOBC-MYZZLAAOSA-N	1	0	359.474	1.230	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(CC)c[nH]c3=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001093468664	958221410	/nfs/dbraw/zinc/22/14/10/958221410.db2.gz	AUJOJVULZPDFID-IKVWTGGYSA-N	1	0	371.481	1.563	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(CC)nn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093469963	958225536	/nfs/dbraw/zinc/22/55/36/958225536.db2.gz	NVYJQYNZTMDDBE-PHXBYCTMSA-N	1	0	358.486	1.195	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093470211	958227463	/nfs/dbraw/zinc/22/74/63/958227463.db2.gz	RFZXJCKTVFOONE-JJAZEVLHSA-N	1	0	367.881	1.147	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2csc(COC)n2)C1	ZINC001197604579	972330752	/nfs/dbraw/zinc/33/07/52/972330752.db2.gz	NDHZYKMIKRWCTA-BPLDGKMQSA-N	1	0	353.488	1.348	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncc4ccccn43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452659	958259087	/nfs/dbraw/zinc/25/90/87/958259087.db2.gz	MBYIMUOEDYNGBH-IKVWTGGYSA-N	1	0	366.465	1.547	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncc4ccccn43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452660	958259452	/nfs/dbraw/zinc/25/94/52/958259452.db2.gz	MBYIMUOEDYNGBH-NEYJZJCJSA-N	1	0	366.465	1.547	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3nc(C)no3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093454251	958266889	/nfs/dbraw/zinc/26/68/89/958266889.db2.gz	AWAQJLKACOBYRI-OHDICMOHSA-N	1	0	362.474	1.463	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(Cl)cn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093454646	958268931	/nfs/dbraw/zinc/26/89/31/958268931.db2.gz	BJUDBZVSBNMISF-NWGLXNPWSA-N	1	0	363.889	1.891	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C)ccc3=O)[C@H]2C(C)C)C[C@H]1O	ZINC001093457349	958279969	/nfs/dbraw/zinc/27/99/69/958279969.db2.gz	IYIVRCFYDJMFHH-LBKNJMOBSA-N	1	0	359.470	1.151	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCn3cc(C)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093478650	958294831	/nfs/dbraw/zinc/29/48/31/958294831.db2.gz	GJPJHXUWWDHNBB-JYBIWHBTSA-N	1	0	358.486	1.181	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncnc3C(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093481395	958306934	/nfs/dbraw/zinc/30/69/34/958306934.db2.gz	WJDNYPGYMTUXCF-VGUOSERISA-N	1	0	370.497	1.813	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncc4n3CCCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093482123	958308612	/nfs/dbraw/zinc/30/86/12/958308612.db2.gz	ZWEDWGIEGSIPRL-DCXXXQMHSA-N	1	0	370.497	1.432	20	30		FDEDRO
C#CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@H]2CCO[C@H]2C(=C)C)CC1	ZINC001093489789	958311751	/nfs/dbraw/zinc/31/17/51/958311751.db2.gz	HXDCEADXJCADBS-WOZUAGRISA-N	1	0	371.525	1.740	20	30		FDEDRO
CCCn1c(C)nnc1C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC001093725771	958610240	/nfs/dbraw/zinc/61/02/40/958610240.db2.gz	DNRXSSWGEILSJC-CZUORRHYSA-N	1	0	369.473	1.694	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3coc(CC)n3)C[C@H]2C)C1=O	ZINC001093727954	958615944	/nfs/dbraw/zinc/61/59/44/958615944.db2.gz	RRKABQZZJQZKGO-RBSFLKMASA-N	1	0	360.458	1.322	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093739666	958653767	/nfs/dbraw/zinc/65/37/67/958653767.db2.gz	WGZQUXVIODXRDE-CRAIPNDOSA-N	1	0	352.442	1.424	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001093758953	958691977	/nfs/dbraw/zinc/69/19/77/958691977.db2.gz	FDAAWVOFHSZPFT-GDBMZVCRSA-N	1	0	353.426	1.810	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H](C[NH2+]Cc3ccc(F)c(C#N)c3)[C@H](C)C2)[nH]1	ZINC001093760608	958699568	/nfs/dbraw/zinc/69/95/68/958699568.db2.gz	TYRMWHVGDQZHMY-MLGOLLRUSA-N	1	0	370.432	1.551	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1cccc(C(=O)N(C)C)c1	ZINC001093762518	958702540	/nfs/dbraw/zinc/70/25/40/958702540.db2.gz	RSJRITWBATVLAS-OXQOHEQNSA-N	1	0	367.493	1.986	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C2CC2)[C@H](C)C1	ZINC001093794318	958798843	/nfs/dbraw/zinc/79/88/43/958798843.db2.gz	UGSISEQINLYOQP-DGCLKSJQSA-N	1	0	366.897	1.971	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COc1ccccc1	ZINC001110494162	972379057	/nfs/dbraw/zinc/37/90/57/972379057.db2.gz	JRJVXOFDDALFMZ-BWPNAZKDSA-N	1	0	356.466	1.951	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCC2([C@H]3CCCCO3)CCC2)CC1	ZINC000636676132	1013184142	/nfs/dbraw/zinc/18/41/42/1013184142.db2.gz	DPYSDDMXAJJOBV-QGZVFWFLSA-N	1	0	363.502	1.609	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCOc2ccccc2CC)C1	ZINC001197724211	972394201	/nfs/dbraw/zinc/39/42/01/972394201.db2.gz	PZCYCKKEAAGLIW-QZTJIDSGSA-N	1	0	362.470	1.382	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)CC(C)(C)C)C1	ZINC001197724962	972396156	/nfs/dbraw/zinc/39/61/56/972396156.db2.gz	ZJQNBAVMSPNWMP-BRWVUGGUSA-N	1	0	367.534	1.835	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cnnn3C)[C@H](C)C2)cc1	ZINC001093869878	959052921	/nfs/dbraw/zinc/05/29/21/959052921.db2.gz	GSLMTFPFSAWYQW-NVXWUHKLSA-N	1	0	369.469	1.878	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2nc(-c3ccncn3)no2)[C@H](C)C1	ZINC001093965826	959376706	/nfs/dbraw/zinc/37/67/06/959376706.db2.gz	SFKJEGGOVSDTRJ-ZIAGYGMSSA-N	1	0	370.457	1.923	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)Cc3occc3C)C[C@H]2C)C1=O	ZINC001094026706	959547210	/nfs/dbraw/zinc/54/72/10/959547210.db2.gz	NTPJWOWRRHXVPF-ZACQAIPSSA-N	1	0	359.470	1.602	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)Cc2ccccc2C)C1	ZINC001197784682	972441388	/nfs/dbraw/zinc/44/13/88/972441388.db2.gz	ZYFSMXAGPKXOPS-MISYRCLQSA-N	1	0	360.498	1.928	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001094048178	959618139	/nfs/dbraw/zinc/61/81/39/959618139.db2.gz	NRDIIUIHRJQOEY-DQEVTTJGSA-N	1	0	368.481	1.644	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)nn2)[C@H](C)C1	ZINC001094103114	959883543	/nfs/dbraw/zinc/88/35/43/959883543.db2.gz	BTOXVMKCVWZUGZ-RRIFGTCXSA-N	1	0	374.485	1.651	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C[NH2+]Cc2ccnn2C)[C@H](C)C1	ZINC001094159005	959929362	/nfs/dbraw/zinc/92/93/62/959929362.db2.gz	UELKKFSKFSSEEF-HZPDHXFCSA-N	1	0	369.469	1.878	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nc(N(C)C)no3)[C@H](C)C2)nc1	ZINC001094172607	959970185	/nfs/dbraw/zinc/97/01/85/959970185.db2.gz	TXIFXCQBLKXTIK-UKRRQHHQSA-N	1	0	368.441	1.010	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cccc(OC)n3)[C@H](C)C2)cn1	ZINC001094174273	959976099	/nfs/dbraw/zinc/97/60/99/959976099.db2.gz	BZMYXZQIKXBXHV-NVXWUHKLSA-N	1	0	364.449	1.964	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3c[nH]cc3C3CC3)C[C@H]2C)C1=O	ZINC001094141890	959996499	/nfs/dbraw/zinc/99/64/99/959996499.db2.gz	VRERQGJTPHBDDI-IDHHARJASA-N	1	0	370.497	1.977	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]Cc2cnns2)[C@H](C)C1	ZINC001094188324	960069545	/nfs/dbraw/zinc/06/95/45/960069545.db2.gz	OOABRHPFSXSHCJ-RHSMWYFYSA-N	1	0	354.479	1.946	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cn(C)nn2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001094258572	960236502	/nfs/dbraw/zinc/23/65/02/960236502.db2.gz	OYULKTFWZGEMMR-CRAIPNDOSA-N	1	0	366.469	1.504	20	30		FDEDRO
C=C(C)CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3c3ccnn3C)nn2)C1	ZINC001094307965	960243161	/nfs/dbraw/zinc/24/31/61/960243161.db2.gz	VWCZJMPECIEAHX-IAGOWNOFSA-N	1	0	369.473	1.254	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC[C@@H](C)O	ZINC001110155906	960269683	/nfs/dbraw/zinc/26/96/83/960269683.db2.gz	FFVRZPDKFWUXLF-WCVJEAGWSA-N	1	0	366.506	1.133	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCn2cncn2)CC3)c1	ZINC001094388700	960334040	/nfs/dbraw/zinc/33/40/40/960334040.db2.gz	HUNLJBJVUWAPPX-SJLPKXTDSA-N	1	0	353.430	1.152	20	30		FDEDRO
Cn1cc(CC[N@@H+]2CC[C@@]3(CNC(=O)c4ccc(C#N)[nH]4)CCC[C@@H]23)cn1	ZINC001094396045	960345193	/nfs/dbraw/zinc/34/51/93/960345193.db2.gz	LBTHSYOPMRIKJM-UYAOXDASSA-N	1	0	366.469	1.837	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)c4cn[nH]n4)CCC[C@@H]23)cc1F	ZINC001094457104	960549986	/nfs/dbraw/zinc/54/99/86/960549986.db2.gz	RGWYDXMAOPWNPG-IEBWSBKVSA-N	1	0	368.416	1.990	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4nnn(C)c4C3)CCC[C@@H]12	ZINC001094497495	960612342	/nfs/dbraw/zinc/61/23/42/960612342.db2.gz	ATQZASYZPCINNO-XFQXTVEOSA-N	1	0	355.486	1.304	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@H]4CNC(=O)N4)CCC[C@@H]23)cc1	ZINC001094502243	960640502	/nfs/dbraw/zinc/64/05/02/960640502.db2.gz	WCKAGJDYDODUQB-MBOZVWFJSA-N	1	0	367.453	1.100	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3COCCN3CCCC)CCC[C@@H]12	ZINC001094477540	960650932	/nfs/dbraw/zinc/65/09/32/960650932.db2.gz	GCTXOIORKRPXNS-SFHLNBCPSA-N	1	0	361.530	1.871	20	30		FDEDRO
C#C[C@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)[C@H]1CCCO1	ZINC000775792736	972522696	/nfs/dbraw/zinc/52/26/96/972522696.db2.gz	SNUTVZVRYVMOIB-VNQPRFMTSA-N	1	0	354.244	1.959	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(-n4cncn4)nc3)CCC[C@@H]12	ZINC001094482045	960666464	/nfs/dbraw/zinc/66/64/64/960666464.db2.gz	VKEVFTJTWSLKRA-VQIMIIECSA-N	1	0	350.426	1.270	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3c(C)c[nH]c3CC(N)=O)CCC[C@@H]12	ZINC001094519815	960715536	/nfs/dbraw/zinc/71/55/36/960715536.db2.gz	RBTSCQOPEGFQCG-OXQOHEQNSA-N	1	0	356.470	1.349	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)N1CCCC1=O	ZINC001181311498	960765226	/nfs/dbraw/zinc/76/52/26/960765226.db2.gz	HSZAQEAIUWETQU-INIZCTEOSA-N	1	0	354.454	1.672	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)C2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)CC2)CC1	ZINC000954014480	1013197989	/nfs/dbraw/zinc/19/79/89/1013197989.db2.gz	CKHJXRVZYZBPLJ-VQTJNVASSA-N	1	0	371.525	1.827	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2cncn2C)CC3)cn1	ZINC001094563404	960820072	/nfs/dbraw/zinc/82/00/72/960820072.db2.gz	UNUGVRQYIDIWOZ-TZIWHRDSSA-N	1	0	363.465	1.971	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(-n4cncn4)n3)CCC[C@@H]12	ZINC001094548712	960886783	/nfs/dbraw/zinc/88/67/83/960886783.db2.gz	INTIEERLCAZZOX-VQIMIIECSA-N	1	0	352.442	1.823	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2cnnn2C)C1	ZINC001181525776	960906518	/nfs/dbraw/zinc/90/65/18/960906518.db2.gz	UUWTYGUUESBEBD-VYCZESIESA-N	1	0	361.490	1.371	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)[C@]23C[C@H]2CCC3)CC1	ZINC000954044715	1013219169	/nfs/dbraw/zinc/21/91/69/1013219169.db2.gz	NNGHNDBANZAFOB-PLMTUMEDSA-N	1	0	357.498	1.724	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1C1CCOCC1	ZINC001171771412	961292132	/nfs/dbraw/zinc/29/21/32/961292132.db2.gz	CPVIMJYGZDZOJY-BPQIPLTHSA-N	1	0	365.518	1.616	20	30		FDEDRO
C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	ZINC001171879701	961357634	/nfs/dbraw/zinc/35/76/34/961357634.db2.gz	TVFKAQVQNAMQSF-OTWHNJEPSA-N	1	0	367.534	1.707	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCO[C@H]2CC)C[C@H]1C	ZINC001182150292	961498789	/nfs/dbraw/zinc/49/87/89/961498789.db2.gz	QZZRHNDMJLXPGQ-OAFZBRQQSA-N	1	0	351.491	1.178	20	30		FDEDRO
C[C@@H](CCCC#N)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1	ZINC001172493781	961686577	/nfs/dbraw/zinc/68/65/77/961686577.db2.gz	CSTYBWRHGIZUCP-WMZOPIPTSA-N	1	0	360.506	1.909	20	30		FDEDRO
C[C@@H](CCCC#N)[N@@H+]1C[C@H]2N(c3ncccn3)CCC[C@@]2(C(=O)N(C)C)C1	ZINC001172498614	961688275	/nfs/dbraw/zinc/68/82/75/961688275.db2.gz	NAUSHHXYAAELDO-SQGPQFPESA-N	1	0	370.501	1.918	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC2(C(N)=O)CCOCC2)C[C@H]1C#N	ZINC001172965876	961851851	/nfs/dbraw/zinc/85/18/51/961851851.db2.gz	JVWDSGNRXJKTGE-KGLIPLIRSA-N	1	0	366.462	1.150	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2COCCC23OCCO3)C[C@H]1C#N	ZINC001172969009	961853727	/nfs/dbraw/zinc/85/37/27/961853727.db2.gz	RRRAVONPOJJYPE-KKUMJFAQSA-N	1	0	367.446	1.400	20	30		FDEDRO
CC(=O)N1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1	ZINC001172971164	961855725	/nfs/dbraw/zinc/85/57/25/961855725.db2.gz	MWYOJTQJYGGPTC-CVEARBPZSA-N	1	0	350.463	1.879	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CCC[C@@]3(CCNC3=O)C2)C[C@H]1C#N	ZINC001172990639	961860836	/nfs/dbraw/zinc/86/08/36/961860836.db2.gz	WVPUENFNHMCFIY-ZRGWGRIASA-N	1	0	362.474	1.880	20	30		FDEDRO
C[NH+](C)C[C@H]1CN([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CCO1	ZINC001172981584	961865353	/nfs/dbraw/zinc/86/53/53/961865353.db2.gz	XDXKSYJNYOSCLZ-JYJNAYRXSA-N	1	0	352.479	1.540	20	30		FDEDRO
COCCC[NH+]1CCN([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1	ZINC001172986060	961869388	/nfs/dbraw/zinc/86/93/88/961869388.db2.gz	UINBVMYIZADVRM-IRXDYDNUSA-N	1	0	366.506	1.932	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC3(CNC(=O)N3)CC2)C[C@H]1C#N	ZINC001172991563	961901557	/nfs/dbraw/zinc/90/15/57/961901557.db2.gz	ZLLJSYNMKVIYLY-KGLIPLIRSA-N	1	0	363.462	1.425	20	30		FDEDRO
C[C@H]([NH2+]C1CCC(CC#N)CC1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC001173331727	962005846	/nfs/dbraw/zinc/00/58/46/962005846.db2.gz	GBCDBCAFIIPTJW-OBHHBEAMSA-N	1	0	356.470	1.650	20	30		FDEDRO
N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC[C@H]1CCCO1	ZINC001110301706	962071826	/nfs/dbraw/zinc/07/18/26/962071826.db2.gz	KJKUVLWQJDVWNJ-FPCVCCKLSA-N	1	0	353.488	1.160	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+]C3CN(c4ncccn4)C3)CC2)cc1	ZINC001173427454	962139431	/nfs/dbraw/zinc/13/94/31/962139431.db2.gz	WRRIVDBKNBFDIN-UHFFFAOYSA-N	1	0	362.437	1.431	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([N@@H+]3C[C@@H]4CCNC(=O)[C@@H]4C3)CC2)cc1	ZINC001173434829	962157001	/nfs/dbraw/zinc/15/70/01/962157001.db2.gz	RHLAETRUBWBOHZ-FUHWJXTLSA-N	1	0	352.438	1.231	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@]1(C)C[NH2+]Cc1ccc(C#N)s1	ZINC001182623497	962334409	/nfs/dbraw/zinc/33/44/09/962334409.db2.gz	MQHZMCBOKRVOEA-ZKRNXSKHSA-N	1	0	360.483	1.315	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2OCC[C@H]2C(C)C)C1	ZINC001182654244	962407906	/nfs/dbraw/zinc/40/79/06/962407906.db2.gz	GXZYNTAKCZGVLF-AOIWGVFYSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=CCOCc1nn([C@H]2C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C2)c2c1C[NH2+]C2	ZINC001173575770	962437257	/nfs/dbraw/zinc/43/72/57/962437257.db2.gz	LXVSILRTQALIIW-CLLJXQQHSA-N	1	0	363.414	1.102	20	30		FDEDRO
CN(C)C(=O)COC[C@H]1Cn2nccc2C[N@@H+](C2CCC(C)(C#N)CC2)C1	ZINC001173594597	962471161	/nfs/dbraw/zinc/47/11/61/962471161.db2.gz	BVSJMBDCSGMYGT-ZRZPHAQCSA-N	1	0	373.501	1.892	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NCC)C1	ZINC001182869267	962615812	/nfs/dbraw/zinc/61/58/12/962615812.db2.gz	NDELRDCLRATIBA-WXSAJPJJSA-N	1	0	351.491	1.178	20	30		FDEDRO
C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@H]1CCC[C@@H](n3ncnn3)C1)C2	ZINC001173729441	962671538	/nfs/dbraw/zinc/67/15/38/962671538.db2.gz	FYXRSAZFCXSIKE-GVDBMIGSSA-N	1	0	354.458	1.652	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1Cc2nccn2C[C@H](Cn2cccn2)C1	ZINC001183042762	962755094	/nfs/dbraw/zinc/75/50/94/962755094.db2.gz	CVQFJPPYNBYFKV-KRWDZBQOSA-N	1	0	354.458	1.390	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1	ZINC001183354068	962979834	/nfs/dbraw/zinc/97/98/34/962979834.db2.gz	OEEUBNVTZKICJG-GGPKGHCWSA-N	1	0	369.465	1.094	20	30		FDEDRO
C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCn2cncn2)CCCCC1	ZINC001110178278	963000755	/nfs/dbraw/zinc/00/07/55/963000755.db2.gz	XISCJEOXHQXPJT-SQNIBIBYSA-N	1	0	355.486	1.973	20	30		FDEDRO
C[NH+](C)[C@H]1C[C@@H](C(=O)NC2CCN(C(=O)c3ccccc3C#N)CC2)C1	ZINC001183378931	963025188	/nfs/dbraw/zinc/02/51/88/963025188.db2.gz	AZVPYTBNXHZEMW-WOVMCDHWSA-N	1	0	354.454	1.619	20	30		FDEDRO
Cc1nn(-c2ccccc2)c(CN2CC[NH+](CCCCO)CC2)c1C#N	ZINC000773449980	963030097	/nfs/dbraw/zinc/03/00/97/963030097.db2.gz	DAWLBZZZSGHKBX-UHFFFAOYSA-N	1	0	353.470	1.943	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1	ZINC001175983282	963337900	/nfs/dbraw/zinc/33/79/00/963337900.db2.gz	OAWQQQTWHYYSAY-HNAYVOBHSA-N	1	0	364.490	1.937	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CCCC)NC(N)=O)C2	ZINC001110192875	963360573	/nfs/dbraw/zinc/36/05/73/963360573.db2.gz	GWSQTPVIZDFRLW-WCVJEAGWSA-N	1	0	352.479	1.138	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)/C=C(\C)C1CC1)C2	ZINC001110344882	963468567	/nfs/dbraw/zinc/46/85/67/963468567.db2.gz	AQYOEDPRCCUXGA-YCUCANTOSA-N	1	0	360.458	1.076	20	30		FDEDRO
C=C(CC(=O)OCCCC)C(=O)N1Cc2nccn2C[C@@H](C[NH+](C)C)C1	ZINC001184308175	963530132	/nfs/dbraw/zinc/53/01/32/963530132.db2.gz	GERPIYYBTSLXCN-MRXNPFEDSA-N	1	0	362.474	1.693	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)[C@H]2CN(c3cccc(C#N)c3)C(=O)O2)CC1	ZINC001184375546	963561171	/nfs/dbraw/zinc/56/11/71/963561171.db2.gz	JCRFDHHHCQUETG-QGZVFWFLSA-N	1	0	356.426	1.874	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](CCNC(=O)[C@H]2CN(c3cccc(C#N)c3)C(=O)O2)C1	ZINC001184376376	963561872	/nfs/dbraw/zinc/56/18/72/963561872.db2.gz	RLZSFXCSBLCCQY-WMLDXEAASA-N	1	0	356.426	1.732	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C	ZINC000774782203	963702339	/nfs/dbraw/zinc/70/23/39/963702339.db2.gz	VIQIQEACILTFSN-ZDUSSCGKSA-N	1	0	354.248	1.430	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1=O	ZINC001177224048	963724692	/nfs/dbraw/zinc/72/46/92/963724692.db2.gz	OXJCNOGBWSDRMQ-RCCFBDPRSA-N	1	0	359.445	1.812	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CCC[NH2+]CC(=O)NC)CC1CCCC1	ZINC001177423667	963825110	/nfs/dbraw/zinc/82/51/10/963825110.db2.gz	IMJSFBFQHPQMFP-SJORKVTESA-N	1	0	351.491	1.322	20	30		FDEDRO
C=CCCN1CC(O)(CN(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001177529423	963867082	/nfs/dbraw/zinc/86/70/82/963867082.db2.gz	JLQQQUZESIEJPH-UYAOXDASSA-N	1	0	371.525	1.978	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@H](CC[NH+](C)C)C2)c1	ZINC001177533066	963868393	/nfs/dbraw/zinc/86/83/93/963868393.db2.gz	WERRWSQGBDZPBM-INIZCTEOSA-N	1	0	362.495	1.897	20	30		FDEDRO
CC(C)[N@H+](C)Cc1[nH]nc2c1CCN(C(=O)Cc1ccnc(C#N)c1)C2	ZINC001177667723	963920485	/nfs/dbraw/zinc/92/04/85/963920485.db2.gz	WSYSERJVMCXCNO-UHFFFAOYSA-N	1	0	352.442	1.644	20	30		FDEDRO
O=C(C#Cc1cccnc1)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001177777531	963949948	/nfs/dbraw/zinc/94/99/48/963949948.db2.gz	PQLKOICCEOLCKA-ICSRJNTNSA-N	1	0	365.408	1.936	20	30		FDEDRO
Cn1cc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)c(-c2ccc(F)cc2)n1	ZINC001177816374	963964501	/nfs/dbraw/zinc/96/45/01/963964501.db2.gz	MLXIUUDNWFODJR-VHEBQXMUSA-N	1	0	369.400	1.842	20	30		FDEDRO
O=C(C#Cc1ccccn1)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1	ZINC001177801019	963974788	/nfs/dbraw/zinc/97/47/88/963974788.db2.gz	OAZSTXFADVHXTH-JXFKEZNVSA-N	1	0	366.396	1.521	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)Cc2ccccc2)C1	ZINC001185750349	964104591	/nfs/dbraw/zinc/10/45/91/964104591.db2.gz	XGPKBQTVMQWNNW-QRVBRYPASA-N	1	0	371.481	1.427	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](C)C)[C@@H]1CCCO1	ZINC000774950043	964199021	/nfs/dbraw/zinc/19/90/21/964199021.db2.gz	UINLWPNSZHYLOS-FHWLQOOXSA-N	1	0	371.481	1.265	20	30		FDEDRO
C#CCNCc1cn([C@H]2CCCN(C(=O)[C@]34CCC[C@H]3OCC4)C2)nn1	ZINC001185973905	964242869	/nfs/dbraw/zinc/24/28/69/964242869.db2.gz	DBOIHCVFTKAVIW-SCTDSRPQSA-N	1	0	357.458	1.124	20	30		FDEDRO
C#CCC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccco3)C2)nn1	ZINC001186008615	964252581	/nfs/dbraw/zinc/25/25/81/964252581.db2.gz	YUKONUKINARPHT-RCCFBDPRSA-N	1	0	367.453	1.951	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CCc2nnc[nH]2)C1	ZINC001186179778	964331425	/nfs/dbraw/zinc/33/14/25/964331425.db2.gz	FIOGUHJFCUKRMV-SJLPKXTDSA-N	1	0	369.444	1.732	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCNC(=O)NC(C)C)C1	ZINC001186213709	964379195	/nfs/dbraw/zinc/37/91/95/964379195.db2.gz	LCRFCTQQRZRDFP-IKGGRYGDSA-N	1	0	366.506	1.256	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC12CCOCC2	ZINC001186409821	964476976	/nfs/dbraw/zinc/47/69/76/964476976.db2.gz	GIDVATFPPAECRS-KZNAEPCWSA-N	1	0	365.518	1.126	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC12CCOCC2	ZINC001186374403	964482152	/nfs/dbraw/zinc/48/21/52/964482152.db2.gz	VZVCPLJDIRJFBA-BRWVUGGUSA-N	1	0	363.502	1.322	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC2)CC12CCOCC2	ZINC001186423791	964502770	/nfs/dbraw/zinc/50/27/70/964502770.db2.gz	CEQPPOZKOJDMHA-QRVBRYPASA-N	1	0	360.498	1.670	20	30		FDEDRO
C=CCOCC[NH2+]C[C@H]1CN(C(=O)[C@H]2OCC[C@H]2C)CC12CCOCC2	ZINC001186504390	964532898	/nfs/dbraw/zinc/53/28/98/964532898.db2.gz	LWKFNKCHJPYJSP-SQNIBIBYSA-N	1	0	366.502	1.459	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC12CCOCC2	ZINC001186511658	964537862	/nfs/dbraw/zinc/53/78/62/964537862.db2.gz	HMCTVGSLSJJKBJ-CEXWTWQISA-N	1	0	370.497	1.392	20	30		FDEDRO
CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC12CCOCC2	ZINC001186511683	964538078	/nfs/dbraw/zinc/53/80/78/964538078.db2.gz	IBVJWKFVXNDRAU-GBESFXJTSA-N	1	0	370.497	1.392	20	30		FDEDRO
COCC[N@H+](C)CCN1C[C@H](Nc2nc(C)c(C#N)cc2Cl)CC1=O	ZINC001186757261	964712777	/nfs/dbraw/zinc/71/27/77/964712777.db2.gz	PFXOXZLKIQRCSK-CQSZACIVSA-N	1	0	365.865	1.506	20	30		FDEDRO
C=CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	ZINC001179097673	964718372	/nfs/dbraw/zinc/71/83/72/964718372.db2.gz	NTNAXAJTNJNDIK-MSOLQXFVSA-N	1	0	353.507	1.318	20	30		FDEDRO
CC[C@@H]([NH2+]CC(=O)NCCC#N)c1ccccc1OCC(=O)N1CCCC1	ZINC000775057364	964815167	/nfs/dbraw/zinc/81/51/67/964815167.db2.gz	YMBANGASQIYQPE-QGZVFWFLSA-N	1	0	372.469	1.758	20	30		FDEDRO
N#CCSCC(=O)N1CC[C@H]2C[N@H+](CCOCc3ccccc3)C[C@H]21	ZINC001186917606	964877891	/nfs/dbraw/zinc/87/78/91/964877891.db2.gz	VBRDJMGQJVIYQF-ZWKOTPCHSA-N	1	0	359.495	1.993	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+][C@@H](C)C(=O)NC1CC1	ZINC001179638738	964942127	/nfs/dbraw/zinc/94/21/27/964942127.db2.gz	WZISMYOKQVVLFJ-UAGQMJEPSA-N	1	0	351.491	1.511	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCCCCC[NH2+]C[C@H](O)COC	ZINC001179781044	964975606	/nfs/dbraw/zinc/97/56/06/964975606.db2.gz	GGIAGFMKJSMIBJ-BZSNNMDCSA-N	1	0	356.507	1.631	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCCCC[NH2+][C@H]1CCN(CC)C1=O	ZINC001179797259	964993307	/nfs/dbraw/zinc/99/33/07/964993307.db2.gz	TWTDUFHWXFSIMC-BZSNNMDCSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2csnc2OC)C1	ZINC000962329197	1013540824	/nfs/dbraw/zinc/54/08/24/1013540824.db2.gz	WKUVNQVCHOPHKI-AXVKAWJUSA-N	1	0	351.472	1.727	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H](C[NH3+])C(=O)OCC1c2ccccc2-c2ccccc21	ZINC001179902360	965041159	/nfs/dbraw/zinc/04/11/59/965041159.db2.gz	JPGSCBQMQJQLLO-ORAYPTAESA-N	1	0	363.417	1.945	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](CCCc3nc(C)no3)C[C@H]21	ZINC001187226182	965102321	/nfs/dbraw/zinc/10/23/21/965102321.db2.gz	PNUHLNZGLSBPMH-HYVNUMGLSA-N	1	0	362.474	1.825	20	30		FDEDRO
C=CCCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(c4cnn(C)c4)C3=O)C[C@H]21	ZINC001187240345	965114220	/nfs/dbraw/zinc/11/42/20/965114220.db2.gz	QOHVUJULTUPNAF-BHYGNILZSA-N	1	0	357.458	1.024	20	30		FDEDRO
C=CCCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]21	ZINC001187240705	965116438	/nfs/dbraw/zinc/11/64/38/965116438.db2.gz	XVEWOJQXZQUTKV-BFHYXJOUSA-N	1	0	350.381	1.425	20	30		FDEDRO
COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NCC1(C#N)CCC1	ZINC001180408885	965314543	/nfs/dbraw/zinc/31/45/43/965314543.db2.gz	SSXVKNMLCPZPJV-DLBZAZTESA-N	1	0	355.438	1.718	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCC(F)(F)F)[C@@H]3C2)C1=O	ZINC001187465414	965379760	/nfs/dbraw/zinc/37/97/60/965379760.db2.gz	GHVUZJKGLPEXCH-BFHYXJOUSA-N	1	0	359.392	1.649	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]21	ZINC001187472392	965383046	/nfs/dbraw/zinc/38/30/46/965383046.db2.gz	GTANKOWMMHJVOJ-FGTMMUONSA-N	1	0	365.518	1.757	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C)cc3C)C[C@H]21	ZINC001187591135	965510101	/nfs/dbraw/zinc/51/01/01/965510101.db2.gz	CAXWMOLQEAPTMW-RBUKOAKNSA-N	1	0	353.466	1.476	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(CF)cc3)C[C@H]21	ZINC001187598351	965518710	/nfs/dbraw/zinc/51/87/10/965518710.db2.gz	NLLZHLNGFNKQKL-ZWKOTPCHSA-N	1	0	357.429	1.328	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C)c(C)c3)C[C@H]21	ZINC001187605643	965554812	/nfs/dbraw/zinc/55/48/12/965554812.db2.gz	OWLHTYSHCZBTAL-RBUKOAKNSA-N	1	0	353.466	1.476	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H](CC#N)C(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1	ZINC001180781476	965592902	/nfs/dbraw/zinc/59/29/02/965592902.db2.gz	NQBPBHCUUFWWRI-GJZGRUSLSA-N	1	0	366.462	1.117	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccc2c(c1)OCCO2	ZINC001110396680	965726339	/nfs/dbraw/zinc/72/63/39/965726339.db2.gz	VUBLZRZHECGHMA-SVGFKBNWSA-N	1	0	355.438	1.881	20	30		FDEDRO
CC(C)C#CC(=O)N1CC[C@H]2C[N@H+](C[C@H](O)COCC(F)(F)F)C[C@H]21	ZINC001187841221	965781804	/nfs/dbraw/zinc/78/18/04/965781804.db2.gz	TWABDHMCQNZGPR-SOUVJXGZSA-N	1	0	362.392	1.118	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CC#CCOC)C[C@H]32)cc1	ZINC001187849205	965788674	/nfs/dbraw/zinc/78/86/74/965788674.db2.gz	MAIPVNFZRPIOAQ-PZJWPPBQSA-N	1	0	366.461	1.885	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@H]21	ZINC001187874169	965868271	/nfs/dbraw/zinc/86/82/71/965868271.db2.gz	NPHWIKUPOSZEJF-GOEBONIOSA-N	1	0	350.850	1.109	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)C[C@H]21	ZINC001187881747	965881000	/nfs/dbraw/zinc/88/10/00/965881000.db2.gz	CAVMVNMKSXKMBJ-BPQIPLTHSA-N	1	0	370.449	1.529	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(NC(C)=O)c3)C[C@H]21	ZINC001187882614	965883470	/nfs/dbraw/zinc/88/34/70/965883470.db2.gz	RTPVDIWKDJPFTQ-ZAAXVRCTSA-N	1	0	369.465	1.716	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc[nH]c3)[C@@H]2C1	ZINC001187985047	965943056	/nfs/dbraw/zinc/94/30/56/965943056.db2.gz	ZXYASGPFPMRFKS-BPQIPLTHSA-N	1	0	358.486	1.974	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3nc(C)[nH]c3C2)C1	ZINC000957618060	1013623551	/nfs/dbraw/zinc/62/35/51/1013623551.db2.gz	DRXYBIKAXCJDJM-HACGYAERSA-N	1	0	358.486	1.998	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]cn3)[C@@H]2C1	ZINC001188158451	966106134	/nfs/dbraw/zinc/10/61/34/966106134.db2.gz	IWNPJOLAUYLBHX-FUHWJXTLSA-N	1	0	371.485	1.076	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCC3(F)F)[C@@H]2C1	ZINC001188300425	966171156	/nfs/dbraw/zinc/17/11/56/966171156.db2.gz	WSYCMZWMQLZZIB-HRCADAONSA-N	1	0	369.456	1.989	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cccc4ncccc34)[C@@H]2C1	ZINC001188543327	966410847	/nfs/dbraw/zinc/41/08/47/966410847.db2.gz	BKSNBSMVUDHAGI-GHTZIAJQSA-N	1	0	363.461	1.960	20	30		FDEDRO
C[NH+]1CCN(c2cc(-c3noc([C@@]4(C#N)CCCOC4)n3)ccn2)CC1	ZINC000867042770	966438058	/nfs/dbraw/zinc/43/80/58/966438058.db2.gz	AYOHGDRYHCQJAK-GOSISDBHSA-N	1	0	354.414	1.455	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)[C@@H]2C1	ZINC001188658371	966460180	/nfs/dbraw/zinc/46/01/80/966460180.db2.gz	HTEWTNQACGZDNN-RLFYNMQTSA-N	1	0	369.469	1.832	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]21	ZINC001188897247	966642605	/nfs/dbraw/zinc/64/26/05/966642605.db2.gz	UIYHUGZHDRSQCN-YESZJQIVSA-N	1	0	371.547	1.403	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3cccc(N(C)C)c3)[C@@H]2C1	ZINC001188902959	966644721	/nfs/dbraw/zinc/64/47/21/966644721.db2.gz	CXRGFJXHOIMKRK-PZJWPPBQSA-N	1	0	369.509	1.868	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@H]21	ZINC001188908371	966648988	/nfs/dbraw/zinc/64/89/88/966648988.db2.gz	AYPYTCYUHNNMIN-IXDOHACOSA-N	1	0	369.531	1.157	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)c3ccccc3CC)[C@@H]2C1	ZINC001188956007	966670160	/nfs/dbraw/zinc/67/01/60/966670160.db2.gz	BAUYKTGLBOWVJI-VDZJLULYSA-N	1	0	353.466	1.533	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(C(=O)c3cc(OC)ccc3C#N)CC[C@@H]2C1	ZINC001189076135	966750735	/nfs/dbraw/zinc/75/07/35/966750735.db2.gz	OIWZXWXZWOWHLV-VQIMIIECSA-N	1	0	373.453	1.376	20	30		FDEDRO
C=C(Cl)CN1C[C@@H]2CCN(C(=O)COC[C@@H](C)[NH+]3CCCC3)[C@@H]2C1	ZINC001189181796	966808052	/nfs/dbraw/zinc/80/80/52/966808052.db2.gz	JJSGOQSUZBVYNZ-IXDOHACOSA-N	1	0	355.910	1.773	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cc(F)c(F)cc3F)[C@@H]2C1	ZINC001189230802	966842429	/nfs/dbraw/zinc/84/24/29/966842429.db2.gz	ZZNVJNLNAJJSNV-SCLBCKFNSA-N	1	0	366.383	1.829	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)NS(C)(=O)=O)[C@@H]2C1	ZINC001189245892	966851351	/nfs/dbraw/zinc/85/13/51/966851351.db2.gz	HIESEJOGTPECFW-OWCLPIDISA-N	1	0	359.536	1.427	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CS(=O)(=O)N(CC)CC)[C@@H]2C1	ZINC001189291505	966874778	/nfs/dbraw/zinc/87/47/78/966874778.db2.gz	ARRPMGXSSZSSPN-YESZJQIVSA-N	1	0	371.547	1.545	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(CC)cc3)[C@@H]2C1	ZINC001189261323	966882457	/nfs/dbraw/zinc/88/24/57/966882457.db2.gz	QGQYZDQOOFGOEV-LSTHTHJFSA-N	1	0	367.493	1.462	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCN(C)S3(=O)=O)[C@@H]2C1	ZINC001189390483	966935541	/nfs/dbraw/zinc/93/55/41/966935541.db2.gz	CIAXOGJXJAGFSC-BBWFWOEESA-N	1	0	369.531	1.299	20	30		FDEDRO
CCCCCc1cc(C(=O)N2CC[C@H]3CN(CC#CCOC)C[C@H]32)[nH]n1	ZINC001189405894	966957117	/nfs/dbraw/zinc/95/71/17/966957117.db2.gz	BVSCLUAYXCPSPU-QFBILLFUSA-N	1	0	358.486	1.939	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CNC(=O)CCC(C)C)[C@@H]2C1	ZINC001189444535	966993407	/nfs/dbraw/zinc/99/34/07/966993407.db2.gz	GRCJBGRLRUFWJK-DLBZAZTESA-N	1	0	351.491	1.274	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)c4ccccc43)[C@@H]2C1	ZINC001189498157	967013905	/nfs/dbraw/zinc/01/39/05/967013905.db2.gz	NFCXLXSNTKGFOL-ZYSHUDEJSA-N	1	0	367.449	1.044	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)CC1	ZINC000775276282	967130388	/nfs/dbraw/zinc/13/03/88/967130388.db2.gz	JHEFZKTWYXDBSW-QGZVFWFLSA-N	1	0	368.481	1.241	20	30		FDEDRO
C=CC[N@@H+](CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C)COC	ZINC000852357230	967249170	/nfs/dbraw/zinc/24/91/70/967249170.db2.gz	YFKSGSNIYTYNIF-INIZCTEOSA-N	1	0	369.506	1.979	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1	ZINC000852360390	967250240	/nfs/dbraw/zinc/25/02/40/967250240.db2.gz	XXFDAEGTMNBDNH-HXUWFJFHSA-N	1	0	371.529	1.057	20	30		FDEDRO
CN(C)C(=O)CCCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001189857899	967307621	/nfs/dbraw/zinc/30/76/21/967307621.db2.gz	VLIFTDOXAUVYBU-RBUKOAKNSA-N	1	0	368.481	1.849	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+][C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852453763	967331957	/nfs/dbraw/zinc/33/19/57/967331957.db2.gz	LYIZWKBURJSSPO-YPMHNXCESA-N	1	0	355.360	1.787	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]32)cn1	ZINC001189850957	967352446	/nfs/dbraw/zinc/35/24/46/967352446.db2.gz	CRLOAQPJGDXOAH-CWRNSKLLSA-N	1	0	367.371	1.523	20	30		FDEDRO
C#CCNC(=O)CC[N@H+]1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1	ZINC000852478655	967362702	/nfs/dbraw/zinc/36/27/02/967362702.db2.gz	WOGVZLPWOGKKGR-CABCVRRESA-N	1	0	373.419	1.781	20	30		FDEDRO
C[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C[C@H]1COCCO1	ZINC000852495790	967374075	/nfs/dbraw/zinc/37/40/75/967374075.db2.gz	MWXGFUFNGSKQGK-GJZGRUSLSA-N	1	0	352.394	1.571	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC4(CCC4)CO3)[C@@H]2C1	ZINC001189898875	967416311	/nfs/dbraw/zinc/41/63/11/967416311.db2.gz	RZVYSOBZWKAPDC-IPMKNSEASA-N	1	0	360.498	1.908	20	30		FDEDRO
C=CCC1([NH2+]CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)CCCC1	ZINC000852588411	967449219	/nfs/dbraw/zinc/44/92/19/967449219.db2.gz	RZHQBVLBEQTWJW-UHFFFAOYSA-N	1	0	362.474	1.997	20	30		FDEDRO
CC(=O)N(C)CCCC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001189963208	967456730	/nfs/dbraw/zinc/45/67/30/967456730.db2.gz	QMEZKWKAADMBJA-VQTJNVASSA-N	1	0	368.481	1.849	20	30		FDEDRO
COc1ccc(NC(=O)C#CC2CC[NH2+]CC2)cc1OCC(=O)NC1CC1	ZINC000852810648	967624465	/nfs/dbraw/zinc/62/44/65/967624465.db2.gz	HLFXVFGAUSTRAT-UHFFFAOYSA-N	1	0	371.437	1.294	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1	ZINC000852825277	967636178	/nfs/dbraw/zinc/63/61/78/967636178.db2.gz	MMZKMYOTGCTQPY-IBGZPJMESA-N	1	0	353.466	1.339	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)Nc1ccc(CC(=O)N2CCSCC2)cc1	ZINC000852824664	967636546	/nfs/dbraw/zinc/63/65/46/967636546.db2.gz	DMYIFMQAGUWSPK-UHFFFAOYSA-N	1	0	371.506	1.746	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NCc1ccc(NC(=O)c2cccnc2)cc1	ZINC000852863190	967668499	/nfs/dbraw/zinc/66/84/99/967668499.db2.gz	BRKKIAZRSQPRRN-UHFFFAOYSA-N	1	0	362.433	1.953	20	30		FDEDRO
C[C@]1(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CC1(Br)Br	ZINC000852874647	967681084	/nfs/dbraw/zinc/68/10/84/967681084.db2.gz	BSVFLJAKLJCVNX-ZXFLCMHBSA-N	1	0	351.042	1.110	20	30		FDEDRO
Cc1ccc(NC(=O)N2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)cc1	ZINC000852884972	967688494	/nfs/dbraw/zinc/68/84/94/967688494.db2.gz	QZQXBUHADNZNRC-UHFFFAOYSA-N	1	0	354.454	1.674	20	30		FDEDRO
COc1cc2c(c(OC)c1OC)CCN(C(=O)C#CC1CC[NH2+]CC1)CC2	ZINC000852887377	967690356	/nfs/dbraw/zinc/69/03/56/967690356.db2.gz	MCBNTWGIJHKCNF-UHFFFAOYSA-N	1	0	372.465	1.643	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CS(=O)(=O)NC(C)(C)C)[C@@H]2C1	ZINC001190247762	967695080	/nfs/dbraw/zinc/69/50/80/967695080.db2.gz	VTTJMNNUATXGCF-OWCLPIDISA-N	1	0	371.547	1.592	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1	ZINC000852901743	967695911	/nfs/dbraw/zinc/69/59/11/967695911.db2.gz	PVKDUIRIZKTGEO-UXHICEINSA-N	1	0	353.466	1.101	20	30		FDEDRO
CS(=O)(=O)CCOc1ccc(NC(=O)C#CC2CC[NH2+]CC2)cc1	ZINC000852901181	967696011	/nfs/dbraw/zinc/69/60/11/967696011.db2.gz	CDNXTODCBHGIIT-UHFFFAOYSA-N	1	0	350.440	1.052	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc(Cl)cn3)[C@@H]2C1	ZINC001190305390	967720318	/nfs/dbraw/zinc/72/03/18/967720318.db2.gz	OWRZRWCFYDHYCX-GOEBONIOSA-N	1	0	352.866	1.662	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCS(=O)(=O)N(C)C)[C@@H]2C1	ZINC001190311727	967724546	/nfs/dbraw/zinc/72/45/46/967724546.db2.gz	IXCXKZFDTCSGSN-OWCLPIDISA-N	1	0	357.520	1.155	20	30		FDEDRO
C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCN(C(=O)CC#Cc3ccccc3)[C@@H]2C1	ZINC001190290685	967741182	/nfs/dbraw/zinc/74/11/82/967741182.db2.gz	QNDJRPBTBHIYRF-YTQUADARSA-N	1	0	353.466	1.438	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3c1oc(=O)n3C)C2	ZINC001110659997	967786696	/nfs/dbraw/zinc/78/66/96/967786696.db2.gz	ZAYPSBHCZCCSNQ-BMFZPTHFSA-N	1	0	371.437	1.669	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]21	ZINC001190424861	967837650	/nfs/dbraw/zinc/83/76/50/967837650.db2.gz	HFKPJTSIICETLW-ZWKOTPCHSA-N	1	0	365.518	1.757	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccnc(N(C)C)c3)C[C@H]21	ZINC001190424976	967837962	/nfs/dbraw/zinc/83/79/62/967837962.db2.gz	JFARJMHYILPTCB-ZWKOTPCHSA-N	1	0	358.486	1.773	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)Cc3ccccc3)C[C@H]21	ZINC001190425158	967838936	/nfs/dbraw/zinc/83/89/36/967838936.db2.gz	OJCUVXBHUYGICP-XUVXKRRUSA-N	1	0	358.482	1.715	20	30		FDEDRO
C#C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1	ZINC000853116052	967841235	/nfs/dbraw/zinc/84/12/35/967841235.db2.gz	PJXTXMDMDIXVQB-INIZCTEOSA-N	1	0	352.412	1.387	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)CCCC(N)=O)[C@@H]3C2)cc1	ZINC001190508509	967907721	/nfs/dbraw/zinc/90/77/21/967907721.db2.gz	MFHPLQRAVOEELI-FUHWJXTLSA-N	1	0	370.453	1.277	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)COC[C@@H]4CCCO4)[C@@H]3C2)cc1	ZINC001190520234	967917849	/nfs/dbraw/zinc/91/78/49/967917849.db2.gz	ZFFMZHMQNXLWDA-SLFFLAALSA-N	1	0	369.465	1.787	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CC(F)(F)C(F)(F)F)[C@@H]2C1	ZINC001190535906	967934620	/nfs/dbraw/zinc/93/46/20/967934620.db2.gz	VIWFPNKNPXHDEY-NWDGAFQWSA-N	1	0	354.319	1.757	20	30		FDEDRO
N#Cc1ncc(Br)cc1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000853266415	967950717	/nfs/dbraw/zinc/95/07/17/967950717.db2.gz	DRJHNXOEGVMYIZ-HIFRSBDPSA-N	1	0	351.248	1.751	20	30		FDEDRO
C=CCC1(S(=O)(=O)NCC(=O)N2CC[NH+](C3CCCCC3)CC2)CC1	ZINC001190836290	968116504	/nfs/dbraw/zinc/11/65/04/968116504.db2.gz	OKEPCCYAKRFECO-UHFFFAOYSA-N	1	0	369.531	1.491	20	30		FDEDRO
N#Cc1ccc(Cl)c(S(=O)(=O)N2CCO[C@@H](C[NH+]3CCCC3)C2)c1	ZINC001190962653	968203380	/nfs/dbraw/zinc/20/33/80/968203380.db2.gz	KIYUYKABBTYRHK-AWEZNQCLSA-N	1	0	369.874	1.697	20	30		FDEDRO
C#Cc1ccccc1C(=O)N1CCCn2cnc(COCC[NH+](C)C)c2C1	ZINC001191107236	968276519	/nfs/dbraw/zinc/27/65/19/968276519.db2.gz	HGQYGNUQKQZXPA-UHFFFAOYSA-N	1	0	366.465	1.989	20	30		FDEDRO
N#CCSCC(=O)N[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@H]1O	ZINC001191161699	968305150	/nfs/dbraw/zinc/30/51/50/968305150.db2.gz	FVXZHWLCLJUQCW-HZPDHXFCSA-N	1	0	355.504	1.001	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3c1NC(=O)CO3)C2	ZINC001110675121	968500495	/nfs/dbraw/zinc/50/04/95/968500495.db2.gz	FYBOVAVXFCDLIG-BMFZPTHFSA-N	1	0	371.437	1.555	20	30		FDEDRO
CCN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@@H]1CC[N@H+](C)C1	ZINC000853990997	968506030	/nfs/dbraw/zinc/50/60/30/968506030.db2.gz	ZFMSEVBMWDGYQG-RRFJBIMHSA-N	1	0	365.478	1.481	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCN1c1ncccn1)C2	ZINC001110687400	968906437	/nfs/dbraw/zinc/90/64/37/968906437.db2.gz	MOBJUCOIKWOHLP-ZJPYXAASSA-N	1	0	371.485	1.370	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@@H+](CCn2cc(-c3ccccc3)cn2)C[C@H]1O	ZINC001192503965	969145118	/nfs/dbraw/zinc/14/51/18/969145118.db2.gz	SGJOVSPYUXZNES-WOJBJXKFSA-N	1	0	366.465	1.515	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)Nc2ccc(N3CCOCC3)c(F)c2)CC1	ZINC001192700833	969239478	/nfs/dbraw/zinc/23/94/78/969239478.db2.gz	JMYMWHWBRWDYSU-UHFFFAOYSA-N	1	0	361.421	1.772	20	30		FDEDRO
COCC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2OC)C1	ZINC001192757463	969299148	/nfs/dbraw/zinc/29/91/48/969299148.db2.gz	BPFKGHNFSMDODP-YTQUADARSA-N	1	0	356.466	1.981	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCNC(=O)NC(C)C)C1	ZINC001192794949	969302282	/nfs/dbraw/zinc/30/22/82/969302282.db2.gz	RAWGKEJUEWYVLV-IKGGRYGDSA-N	1	0	366.506	1.208	20	30		FDEDRO
COCC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2c2ccccc2)C1	ZINC001192795181	969302816	/nfs/dbraw/zinc/30/28/16/969302816.db2.gz	VBFHRENDEICNOJ-ZCNNSNEGSA-N	1	0	356.466	1.947	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCc2ccc(Cl)cc2)C[C@H]1O	ZINC001192891093	969350409	/nfs/dbraw/zinc/35/04/09/969350409.db2.gz	HQQYMPPCYPZKHC-KBRIMQKVSA-N	1	0	350.846	1.082	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2c(C)ccc3ccccc32)C[C@H]1O	ZINC001192892513	969352358	/nfs/dbraw/zinc/35/23/58/969352358.db2.gz	YVCAXDKNVUFQGI-ZLGUVYLKSA-N	1	0	366.461	1.848	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N[C@@H]2C[N@H+](CCCCOC)C[C@H]2O)cc1	ZINC001192899674	969354053	/nfs/dbraw/zinc/35/40/53/969354053.db2.gz	UGIIKUOUCAXPRS-RTBURBONSA-N	1	0	360.454	1.290	20	30		FDEDRO
C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(S(=O)(=O)CC#N)CC2	ZINC001192952266	969371783	/nfs/dbraw/zinc/37/17/83/969371783.db2.gz	UXRBOVIZTLLSOO-QGZVFWFLSA-N	1	0	363.483	1.595	20	30		FDEDRO
N#Cc1ccncc1C(=O)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1	ZINC001192967423	969407727	/nfs/dbraw/zinc/40/77/27/969407727.db2.gz	DWOIIKZNHFUVRB-LIRRHRJNSA-N	1	0	367.384	1.655	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN2C(=O)CC)C1	ZINC001193148388	969515139	/nfs/dbraw/zinc/51/51/39/969515139.db2.gz	TUNFSLLWCHNZRQ-KZNAEPCWSA-N	1	0	365.518	1.685	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1CN(CC(=O)N(C)[C@@H](C)CC(C)C)C[C@H]1O	ZINC001193345605	969646848	/nfs/dbraw/zinc/64/68/48/969646848.db2.gz	RRBYMSMGLVEESW-GVDBMIGSSA-N	1	0	367.534	1.643	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cc(OC)no2)C1	ZINC001193362159	969661025	/nfs/dbraw/zinc/66/10/25/969661025.db2.gz	LBVFWSRLYOAMSY-HZPDHXFCSA-N	1	0	351.447	1.524	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCc2ccccc2)C[C@H]1O	ZINC001193369744	969662918	/nfs/dbraw/zinc/66/29/18/969662918.db2.gz	FLVBEJFJLMSICG-IPMKNSEASA-N	1	0	362.470	1.082	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1	ZINC001193422682	969698336	/nfs/dbraw/zinc/69/83/36/969698336.db2.gz	VTWPMFZMEJJDDC-BRWVUGGUSA-N	1	0	367.534	1.765	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCOc2cc(C)cc(C)c2)C1	ZINC001193527647	969736159	/nfs/dbraw/zinc/73/61/59/969736159.db2.gz	KMFSEGMQBDCFRM-RTBURBONSA-N	1	0	362.470	1.436	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cccc(OC)c2F)C1	ZINC001193576812	969744543	/nfs/dbraw/zinc/74/45/43/969744543.db2.gz	BUMZRWPESZZUOI-HZPDHXFCSA-N	1	0	366.433	1.131	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1	ZINC001193892433	969910773	/nfs/dbraw/zinc/91/07/73/969910773.db2.gz	NPYZRGPASXQRLB-NCXUSEDFSA-N	1	0	360.454	1.271	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncn(-c3ccccc3)n2)C1	ZINC001193989510	969948695	/nfs/dbraw/zinc/94/86/95/969948695.db2.gz	ZPOYDHFAIUHVQM-USXIJHARSA-N	1	0	355.442	1.397	20	30		FDEDRO
N#Cc1cncc(C(=O)Nc2ccc(N3CC[NH+](CCO)CC3)cc2)c1	ZINC001194113287	969998042	/nfs/dbraw/zinc/99/80/42/969998042.db2.gz	GBYVPMBVUVDTST-UHFFFAOYSA-N	1	0	351.410	1.320	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(N3CCCC3)n2)C1	ZINC001194258742	970080094	/nfs/dbraw/zinc/08/00/94/970080094.db2.gz	NJCQCLGUWXQPPA-DJIMGWMZSA-N	1	0	359.474	1.206	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cccc3)cc2)C1	ZINC001194460580	970176200	/nfs/dbraw/zinc/17/62/00/970176200.db2.gz	AELXNVKMEQMGHO-RTBURBONSA-N	1	0	355.438	1.455	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(OC)cccc2OC)C1	ZINC001194437479	970192442	/nfs/dbraw/zinc/19/24/42/970192442.db2.gz	YHQIMEVJKITDGX-USXIJHARSA-N	1	0	362.470	1.762	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)C1	ZINC001194500548	970221255	/nfs/dbraw/zinc/22/12/55/970221255.db2.gz	OBOSMJZKVAQZRK-BFYDXBDKSA-N	1	0	350.846	1.771	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(OCCS(C)(=O)=O)cc2)CC1	ZINC000855257307	970245557	/nfs/dbraw/zinc/24/55/57/970245557.db2.gz	AHFMSCLMIOMXNA-UHFFFAOYSA-N	1	0	364.467	1.394	20	30		FDEDRO
C=C[C@@H](CO)NC(=O)c1ccc(Br)cc1N1CC[NH+](C)CC1	ZINC001194610828	970251785	/nfs/dbraw/zinc/25/17/85/970251785.db2.gz	HWANCDGUVMJFSS-ZDUSSCGKSA-N	1	0	368.275	1.478	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(COC)c1	ZINC001110462071	970430227	/nfs/dbraw/zinc/43/02/27/970430227.db2.gz	VXQKOJGPPPADGJ-QRVBRYPASA-N	1	0	369.465	1.194	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nc(CC)nc2C)C1	ZINC001194832806	970454111	/nfs/dbraw/zinc/45/41/11/970454111.db2.gz	SXORMCJGJPAIKO-MORSLUCNSA-N	1	0	360.502	1.714	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000855539514	970480748	/nfs/dbraw/zinc/48/07/48/970480748.db2.gz	NWQLCLZYXRYYSF-CYBMUJFWSA-N	1	0	355.360	1.741	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c(cc(C)cc3C)[nH]2)C1	ZINC001195057680	970641791	/nfs/dbraw/zinc/64/17/91/970641791.db2.gz	GOBHNBSPOZVIDJ-RTBURBONSA-N	1	0	357.454	1.762	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC/C=C\c3ccccc3)C[C@H]2O)nc1	ZINC001197926477	972553943	/nfs/dbraw/zinc/55/39/43/972553943.db2.gz	NIFQMCNDQMEJLN-GVBKJADDSA-N	1	0	361.445	1.941	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2OCCc3ccsc32)C1	ZINC001197934887	972560135	/nfs/dbraw/zinc/56/01/35/972560135.db2.gz	JSNCCZANFUHYQL-OAGGEKHMSA-N	1	0	350.484	1.880	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2OCCc3ccsc32)C1	ZINC001197935202	972562324	/nfs/dbraw/zinc/56/23/24/972562324.db2.gz	NAPUXHZECKWZNM-OAGGEKHMSA-N	1	0	366.483	1.116	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1O	ZINC001197950445	972590119	/nfs/dbraw/zinc/59/01/19/972590119.db2.gz	ZSLCWALMXOZLRL-RTBURBONSA-N	1	0	361.461	1.070	20	30		FDEDRO
COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000775810870	972672627	/nfs/dbraw/zinc/67/26/27/972672627.db2.gz	JUHZIFAELQIWDX-HYVNUMGLSA-N	1	0	361.442	1.754	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1	ZINC000957955951	1014047572	/nfs/dbraw/zinc/04/75/72/1014047572.db2.gz	WEBFVHMHSJQHHW-UWWQBHOKSA-N	1	0	371.485	1.585	20	30		FDEDRO
CC(=NNc1cc[nH+]cc1C)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000863157751	972688192	/nfs/dbraw/zinc/68/81/92/972688192.db2.gz	SEOBGAWRQLKPGN-UHFFFAOYSA-N	1	0	374.466	1.669	20	30		FDEDRO
CC(=NNCC[NH+]1CCCCC1)c1cc(S(N)(=O)=O)c(C)cc1C	ZINC000794495624	972690884	/nfs/dbraw/zinc/69/08/84/972690884.db2.gz	SPQUIRBLQYEZLK-UHFFFAOYSA-N	1	0	352.504	1.750	20	30		FDEDRO
CCCCCCCCC(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1O	ZINC001198088061	972742895	/nfs/dbraw/zinc/74/28/95/972742895.db2.gz	WKBLVPSZYRHGCY-QZTJIDSGSA-N	1	0	371.522	1.051	20	30		FDEDRO
CCCCCCCCC(=O)N[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1O	ZINC001198069266	972760313	/nfs/dbraw/zinc/76/03/13/972760313.db2.gz	VGDRUAAVTRTRPB-IAGOWNOFSA-N	1	0	353.507	1.521	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](C[C@@H](OCC)C2CC2)C[C@H]1O	ZINC001198134247	972775651	/nfs/dbraw/zinc/77/56/51/972775651.db2.gz	PHUHRRRUOIPQBM-VAMGGRTRSA-N	1	0	356.466	1.187	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]CC[S@](=O)Cc2ccccc2)CCOCC1	ZINC000863552158	973008354	/nfs/dbraw/zinc/00/83/54/973008354.db2.gz	KESYLJYIDCHZMS-OSPHWJPCSA-N	1	0	350.484	1.596	20	30		FDEDRO
C[NH+]1CCN(CCOc2ccc(NC[C@H](O)CC3(C#N)CC3)cc2)CC1	ZINC000863558737	973016153	/nfs/dbraw/zinc/01/61/53/973016153.db2.gz	VAJKBFIHDCNYIN-GOSISDBHSA-N	1	0	358.486	1.779	20	30		FDEDRO
C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)CN(C)CCC#N)CN1C(=O)OC(C)(C)C	ZINC000863582858	973033146	/nfs/dbraw/zinc/03/31/46/973033146.db2.gz	VRXWCKLFZJDFEL-OAGGEKHMSA-N	1	0	354.495	1.570	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccco2)C1	ZINC001198352323	973048242	/nfs/dbraw/zinc/04/82/42/973048242.db2.gz	FMDBMIVSUULUGP-HUUCEWRRSA-N	1	0	351.447	1.141	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)(F)F	ZINC000863597122	973050530	/nfs/dbraw/zinc/05/05/30/973050530.db2.gz	FNWFHNSGXIYJDC-FQUUOJAGSA-N	1	0	359.392	1.362	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccccc2C)C1	ZINC001198459010	973125532	/nfs/dbraw/zinc/12/55/32/973125532.db2.gz	OBHWBEVYVWQRHM-CGTJXYLNSA-N	1	0	359.470	1.241	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)NCc1ccccc1CN1CC[NH+](CC)CC1	ZINC000645161342	1014089526	/nfs/dbraw/zinc/08/95/26/1014089526.db2.gz	ONGSAMCQBPEKST-HXUWFJFHSA-N	1	0	372.513	1.398	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc3c(c2)CCCC3)C1	ZINC001198514788	973244026	/nfs/dbraw/zinc/24/40/26/973244026.db2.gz	YVFJFJBAEGGMRE-WOJBJXKFSA-N	1	0	358.482	1.472	20	30		FDEDRO
Cn1c(CC#N)nn(CN2CCC(OCC[NH+]3CCCC3)CC2)c1=S	ZINC000794635525	973496746	/nfs/dbraw/zinc/49/67/46/973496746.db2.gz	DTLQVXJKGROEKW-UHFFFAOYSA-N	1	0	364.519	1.551	20	30		FDEDRO
C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1OCC#N)C(C)(C)C[NH+](C)C	ZINC000120095319	973608362	/nfs/dbraw/zinc/60/83/62/973608362.db2.gz	NLNCTVHQDJVYNI-LBPRGKRZSA-N	1	0	364.421	1.759	20	30		FDEDRO
C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnc(OCC2CCOCC2)nc1	ZINC001198941004	973718569	/nfs/dbraw/zinc/71/85/69/973718569.db2.gz	IGLPKMOGBJMKDU-KRWDZBQOSA-N	1	0	360.458	1.662	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2ccc(OC)cc2)C1	ZINC001198904526	973723243	/nfs/dbraw/zinc/72/32/43/973723243.db2.gz	HDHBHQWSAQDKAC-KFKAGJAMSA-N	1	0	362.470	1.238	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)N=[S@@](C)(=O)c1ccccc1F	ZINC000867311194	974150363	/nfs/dbraw/zinc/15/03/63/974150363.db2.gz	IZDOTZFVYBPBAH-QFIPXVFZSA-N	1	0	361.464	1.072	20	30		FDEDRO
C#CC[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O)c1ccccc1	ZINC001199505405	974326791	/nfs/dbraw/zinc/32/67/91/974326791.db2.gz	HLBPRYOIHOYRGQ-CEWLAPEOSA-N	1	0	370.493	1.914	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O	ZINC000865566751	974363515	/nfs/dbraw/zinc/36/35/15/974363515.db2.gz	PAXYWQJNIHVLTQ-INIZCTEOSA-N	1	0	350.488	1.528	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]C[C@H]1CCCC[C@@H]1NS(C)(=O)=O	ZINC000865565150	974363558	/nfs/dbraw/zinc/36/35/58/974363558.db2.gz	LMVSJRJYLXEADQ-WBVHZDCISA-N	1	0	364.515	1.822	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccc(F)c2)CC1	ZINC000866014821	974622899	/nfs/dbraw/zinc/62/28/99/974622899.db2.gz	KYNDWCNUWYKFEO-AZUAARDMSA-N	1	0	371.456	1.949	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](O)COC)cc1	ZINC001110553273	974767592	/nfs/dbraw/zinc/76/75/92/974767592.db2.gz	GUHIHLDFWOBKDN-LFGUQSLTSA-N	1	0	372.465	1.431	20	30		FDEDRO
N#Cc1cnn(-c2ccccn2)c1NC(=S)NCC[NH+]1CCCCC1	ZINC001200420553	974778898	/nfs/dbraw/zinc/77/88/98/974778898.db2.gz	ZSUXJIPHAPTKHU-UHFFFAOYSA-N	1	0	355.471	1.911	20	30		FDEDRO
CN1CCO[C@H](CNC(=S)Nc2ccc(C#N)cc2Br)C1	ZINC001201131065	974969267	/nfs/dbraw/zinc/96/92/67/974969267.db2.gz	UVBIAWKPVKLIPT-LLVKDONJSA-N	1	0	369.288	1.938	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCCO1	ZINC001201403455	975026581	/nfs/dbraw/zinc/02/65/81/975026581.db2.gz	MCZGDSISQBYPCS-IXDOHACOSA-N	1	0	369.506	1.197	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CCCO1	ZINC001201448000	975064302	/nfs/dbraw/zinc/06/43/02/975064302.db2.gz	PLPRONUUJPQIJH-BARDWOONSA-N	1	0	373.291	1.670	20	30		FDEDRO
CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccccc2)CCCO1	ZINC001201612569	975098609	/nfs/dbraw/zinc/09/86/09/975098609.db2.gz	QOJVEYDXFHIDFA-ZCNNSNEGSA-N	1	0	356.466	1.995	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCOCC(C)C)C1	ZINC001201620512	975099833	/nfs/dbraw/zinc/09/98/33/975099833.db2.gz	FOBPERWBFSVWDP-FHWLQOOXSA-N	1	0	368.518	1.847	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn3c(n1)CCCC3)C2	ZINC001110578742	975279283	/nfs/dbraw/zinc/27/92/83/975279283.db2.gz	VQMQMNGJNZOEGX-KURKYZTESA-N	1	0	358.486	1.686	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000776277064	975289409	/nfs/dbraw/zinc/28/94/09/975289409.db2.gz	OVTSFOZNWCUWFY-QGZVFWFLSA-N	1	0	353.382	1.717	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1	ZINC000847291986	975425534	/nfs/dbraw/zinc/42/55/34/975425534.db2.gz	JWDMYQQQZZRQDK-MSOLQXFVSA-N	1	0	354.454	1.923	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	ZINC000645351831	1014271046	/nfs/dbraw/zinc/27/10/46/1014271046.db2.gz	LDYJZDNCBUWSLM-QGZVFWFLSA-N	1	0	351.491	1.343	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C2(O)CN(C(=O)OC(C)(C)C)C2)CC1	ZINC000847451737	975641255	/nfs/dbraw/zinc/64/12/55/975641255.db2.gz	NUWNUDLKNTZZBJ-UHFFFAOYSA-N	1	0	353.463	1.125	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)Cc2nnc(-c3ccccc3)n2C)CC1	ZINC000847515225	975758314	/nfs/dbraw/zinc/75/83/14/975758314.db2.gz	NRHYZUFYFOBXJT-UHFFFAOYSA-N	1	0	351.454	1.629	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1	ZINC000866665978	975887527	/nfs/dbraw/zinc/88/75/27/975887527.db2.gz	JRLWOXCHHRKZOB-QRVBRYPASA-N	1	0	357.454	1.991	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)NC(=O)C3)C2	ZINC001110591828	975997562	/nfs/dbraw/zinc/99/75/62/975997562.db2.gz	BDZNJSXULXXGNQ-NXHRZFHOSA-N	1	0	355.438	1.719	20	30		FDEDRO
C=CC[C@@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)c1ccncc1	ZINC000866794293	976059810	/nfs/dbraw/zinc/05/98/10/976059810.db2.gz	JCELOXUPLSJZDO-QGZVFWFLSA-N	1	0	352.504	1.256	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1	ZINC000866809074	976082645	/nfs/dbraw/zinc/08/26/45/976082645.db2.gz	DAWWHASAEPTQJC-RBVVOMGSSA-N	1	0	363.483	1.411	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCCOC	ZINC001110595486	976209370	/nfs/dbraw/zinc/20/93/70/976209370.db2.gz	SOTWLHDUYZWVEV-HCXYKTFWSA-N	1	0	366.502	1.500	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C)nc1	ZINC000958169630	1014323213	/nfs/dbraw/zinc/32/32/13/1014323213.db2.gz	WOTSTIMSCGLARB-VQIMIIECSA-N	1	0	368.481	1.372	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1	ZINC000867607663	976493852	/nfs/dbraw/zinc/49/38/52/976493852.db2.gz	KLRSYTYBHFOUJV-JLSDUUJJSA-N	1	0	354.454	1.630	20	30		FDEDRO
C[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1cccc(NS(C)(=O)=O)c1	ZINC000848399043	976717567	/nfs/dbraw/zinc/71/75/67/976717567.db2.gz	ZDKLBGWCXAYTRY-DOMZBBRYSA-N	1	0	352.460	1.647	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000867810647	976911797	/nfs/dbraw/zinc/91/17/97/976911797.db2.gz	XPLFTHGEAXJKHZ-UHFFFAOYSA-N	1	0	350.507	1.087	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCCNC(=O)c1ccccc1F	ZINC000867946892	977127228	/nfs/dbraw/zinc/12/72/28/977127228.db2.gz	WROHRDXFRMAOMG-SFHVURJKSA-N	1	0	366.396	1.430	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1C[C@H](C(N)=O)Cc2ccccc21	ZINC000867949430	977130082	/nfs/dbraw/zinc/13/00/82/977130082.db2.gz	YHBAGCPZVCOFRF-APWZRJJASA-N	1	0	360.417	1.436	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1	ZINC000867952190	977132766	/nfs/dbraw/zinc/13/27/66/977132766.db2.gz	VPOIRSRXXXOWOE-OXJNMPFZSA-N	1	0	360.417	1.667	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CCN1CC(F)(F)F	ZINC000867977484	977162006	/nfs/dbraw/zinc/16/20/06/977162006.db2.gz	INGJUBFUZYOCBT-WBMJQRKESA-N	1	0	366.387	1.840	20	30		FDEDRO
C[NH+]=C(NCCCc1c[nH]c2ccc(F)cc12)NCCN1CCOCC1	ZINC000848988375	977285875	/nfs/dbraw/zinc/28/58/75/977285875.db2.gz	VIPIHYMBLGVEKK-UHFFFAOYSA-N	1	0	361.465	1.737	20	30		FDEDRO
C=CCNC(=[NH2+])NCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1	ZINC000849076429	977304858	/nfs/dbraw/zinc/30/48/58/977304858.db2.gz	HKCBHPQSUGBLPR-UHFFFAOYSA-N	1	0	360.458	1.669	20	30		FDEDRO
C[NH+]=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCCN1CCOCC1	ZINC000849077074	977305601	/nfs/dbraw/zinc/30/56/01/977305601.db2.gz	LBKWKNVSPAASLJ-UHFFFAOYSA-N	1	0	369.853	1.288	20	30		FDEDRO
CCOC(CCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12)OCC	ZINC000849089061	977309215	/nfs/dbraw/zinc/30/92/15/977309215.db2.gz	OLSSJBVXKCSUOG-AWEZNQCLSA-N	1	0	370.494	1.656	20	30		FDEDRO
CCNC(NCCNS(=O)(=O)c1ccc(Cl)cc1F)=[NH+]CC	ZINC000849107586	977318532	/nfs/dbraw/zinc/31/85/32/977318532.db2.gz	BTSVSWKWNOKHDL-UHFFFAOYSA-N	1	0	350.847	1.332	20	30		FDEDRO
C[NH+]=C(NC[C@H](CO)Cc1ccc(OC)c(Br)c1)NC1CC1	ZINC000849110448	977321228	/nfs/dbraw/zinc/32/12/28/977321228.db2.gz	YGAMAXHZBYXRLV-GFCCVEGCSA-N	1	0	370.291	1.936	20	30		FDEDRO
C[NH+]=C(NCCc1ccc(Cl)c(OC)c1)NCCN1CCOCC1	ZINC000849113253	977324962	/nfs/dbraw/zinc/32/49/62/977324962.db2.gz	PJBJMXQPBFLHOQ-UHFFFAOYSA-N	1	0	354.882	1.388	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COC1CCOCC1	ZINC001110610520	977413265	/nfs/dbraw/zinc/41/32/65/977413265.db2.gz	HGJGEYHRRHEJPM-JFRXWTBNSA-N	1	0	366.502	1.621	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(c2ccc(C#N)cc2)CC1	ZINC000868372050	977554049	/nfs/dbraw/zinc/55/40/49/977554049.db2.gz	LMSVNTDCGHZZBE-KRWDZBQOSA-N	1	0	370.501	1.026	20	30		FDEDRO
COc1cc(CNC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)ccc1C#N	ZINC000849597138	977814256	/nfs/dbraw/zinc/81/42/56/977814256.db2.gz	RIAKPVLUGGAYDG-MSOLQXFVSA-N	1	0	367.453	1.652	20	30		FDEDRO
C=CCC[C@H](NC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)C(=O)OCC	ZINC000849602825	977827639	/nfs/dbraw/zinc/82/76/39/977827639.db2.gz	RBKOTGLTNUFESZ-BBWFWOEESA-N	1	0	362.474	1.470	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCc1nc(C(F)(F)F)n2c1CCCC2	ZINC000868652659	977870829	/nfs/dbraw/zinc/87/08/29/977870829.db2.gz	IHIJGGVZSUXGDE-UHFFFAOYSA-N	1	0	371.407	1.993	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)N2CCC([NH+]3CCN(C)CC3)CC2)cc1	ZINC000868675725	977893496	/nfs/dbraw/zinc/89/34/96/977893496.db2.gz	ITIBYLNXPUESMP-UHFFFAOYSA-N	1	0	370.497	1.620	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC(=O)N(CC(C)C)C1)C2	ZINC001110618661	978095322	/nfs/dbraw/zinc/09/53/22/978095322.db2.gz	XIZPPFZNKDJCNI-MLHJIOFPSA-N	1	0	363.502	1.415	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C	ZINC000850507583	978407886	/nfs/dbraw/zinc/40/78/86/978407886.db2.gz	OVHGWONIOJJXMM-KGLIPLIRSA-N	1	0	358.442	1.905	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C	ZINC000850508636	978410021	/nfs/dbraw/zinc/41/00/21/978410021.db2.gz	VJELNMLVWZWZBX-CQSZACIVSA-N	1	0	361.417	1.765	20	30		FDEDRO
N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(I)cc1F	ZINC000850755778	978662092	/nfs/dbraw/zinc/66/20/92/978662092.db2.gz	IIHAKIJLVHDQMZ-RDDDGLTNSA-N	1	0	374.157	1.663	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(CC)C1CN(C(=O)C[NH+]2CCCC2)C1	ZINC000968000939	1014537820	/nfs/dbraw/zinc/53/78/20/1014537820.db2.gz	UITSLLOWLDQHPI-HKUYNNGSSA-N	1	0	363.502	1.513	20	30		FDEDRO
CC[C@H](C#N)Oc1cc(CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)ccc1OC	ZINC000851657208	978986596	/nfs/dbraw/zinc/98/65/96/978986596.db2.gz	YALORJZRPDMLNZ-RBSFLKMASA-N	1	0	364.421	1.957	20	30		FDEDRO
COC(=O)[C@]12CCC[C@H]1C[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)C2	ZINC000880325211	979097996	/nfs/dbraw/zinc/09/79/96/979097996.db2.gz	JZROHWAYEVVPDF-ZWOKBUDYSA-N	1	0	358.438	1.767	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)CN1CC[NH+](CCCOC(C)(C)C)CC1	ZINC000880411584	979170444	/nfs/dbraw/zinc/17/04/44/979170444.db2.gz	HZRXRTJEJQENSH-QGZVFWFLSA-N	1	0	352.523	1.817	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)CN1CC[NH+](CCCOC(C)(C)C)CC1	ZINC000880412541	979171519	/nfs/dbraw/zinc/17/15/19/979171519.db2.gz	UUVIZZNABJELKK-LJQANCHMSA-N	1	0	352.523	1.864	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1NC(C)=O)C2	ZINC001110639605	979195338	/nfs/dbraw/zinc/19/53/38/979195338.db2.gz	PTFNDMGAQVLFBH-OIISXLGYSA-N	1	0	358.442	1.578	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(C)([NH+]3CCC3)CC2)CC1	ZINC000880473471	979216300	/nfs/dbraw/zinc/21/63/00/979216300.db2.gz	FMVUYWDXPMONIN-SFHVURJKSA-N	1	0	361.534	1.239	20	30		FDEDRO
C#CCC1(O)CC[NH+](C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)CC1	ZINC000880482378	979222701	/nfs/dbraw/zinc/22/27/01/979222701.db2.gz	HIMFDFVJAGWJRP-MRXNPFEDSA-N	1	0	358.438	1.161	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1CC[C@@]2(C1)C[N@H+](Cc1ccccc1)C[C@@H](C)O2	ZINC000880502635	979253569	/nfs/dbraw/zinc/25/35/69/979253569.db2.gz	SLBBCNHRUGMEAP-LQWHRVPQSA-N	1	0	355.482	1.490	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1	ZINC000852049736	979306534	/nfs/dbraw/zinc/30/65/34/979306534.db2.gz	FFUOWJMNQORVKU-KRWDZBQOSA-N	1	0	358.442	1.641	20	30		FDEDRO
CC[NH+]1CCN(CC(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)CC1	ZINC000880657281	979376624	/nfs/dbraw/zinc/37/66/24/979376624.db2.gz	JEJYWCLTPNEASV-IBGZPJMESA-N	1	0	355.486	1.233	20	30		FDEDRO
C#CCOCC[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C2(C1)CCOCC2	ZINC000852140910	979387054	/nfs/dbraw/zinc/38/70/54/979387054.db2.gz	LGTURUWNDFYJLA-MRXNPFEDSA-N	1	0	352.475	1.890	20	30		FDEDRO
C[NH+](C)CCN1CCC(NC(=O)Nc2cc(C#N)c(F)cc2F)CC1	ZINC000880716282	979406124	/nfs/dbraw/zinc/40/61/24/979406124.db2.gz	KFIWIGCZJGJUQQ-UHFFFAOYSA-N	1	0	351.401	1.984	20	30		FDEDRO
C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)C1	ZINC000880931003	979531850	/nfs/dbraw/zinc/53/18/50/979531850.db2.gz	ZWQISQWVOFCDFP-ZFWWWQNUSA-N	1	0	356.348	1.527	20	30		FDEDRO
CN1c2ccccc2C(C)(C)/C1=C/C(=O)Cn1cc(C[C@H]([NH3+])CO)nn1	ZINC000880983852	979562194	/nfs/dbraw/zinc/56/21/94/979562194.db2.gz	RGUFPGNIYKXUCU-OCTXWABXSA-N	1	0	355.442	1.021	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3cccc(C#Cc4ccccn4)c3)[C@@H]2C1	ZINC000645618893	1014635523	/nfs/dbraw/zinc/63/55/23/1014635523.db2.gz	LBOMZYPQMZLRCL-YLJYHZDGSA-N	1	0	374.444	1.582	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2)n1cnc(C#N)n1	ZINC000409928636	1014673907	/nfs/dbraw/zinc/67/39/07/1014673907.db2.gz	ACUWKBKXBZGVGB-CYBMUJFWSA-N	1	0	368.441	1.478	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(F)c2)CCN1c1cc[nH+]cc1	ZINC000882619565	980760048	/nfs/dbraw/zinc/76/00/48/980760048.db2.gz	OZCXEOWWKSEGOX-ZDUSSCGKSA-N	1	0	360.414	1.992	20	30		FDEDRO
C#Cc1ccc(C(=O)N(CC)C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC000968190645	1014737103	/nfs/dbraw/zinc/73/71/03/1014737103.db2.gz	BSFTUWZAFPYGCN-RHSMWYFYSA-N	1	0	354.454	1.076	20	30		FDEDRO
CN1CC[NH+](C2CCN(c3ncc(C#N)cc3Br)CC2)CC1	ZINC000882697063	981607486	/nfs/dbraw/zinc/60/74/86/981607486.db2.gz	CQFPWIUIVXNRAK-UHFFFAOYSA-N	1	0	364.291	1.932	20	30		FDEDRO
CN1CC[NH+](C2CCN(c3c(C#N)cnn3-c3ccccc3)CC2)CC1	ZINC000882699633	981608315	/nfs/dbraw/zinc/60/83/15/981608315.db2.gz	QTDLYFDDHBSLDR-UHFFFAOYSA-N	1	0	350.470	1.960	20	30		FDEDRO
COCC[N@H+]1[C@H](C)CN(C[C@H](O)COc2ccc(CC#N)cc2)C[C@@H]1C	ZINC000130135885	981688914	/nfs/dbraw/zinc/68/89/14/981688914.db2.gz	VWCNJHMYWYTMDY-SCTDSRPQSA-N	1	0	361.486	1.533	20	30		FDEDRO
C=CCN1CC[C@H](N2[C@@H]3CC[C@H]2[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C3)C1=O	ZINC001110738849	981745592	/nfs/dbraw/zinc/74/55/92/981745592.db2.gz	WNLJXVFQWNOVQU-NCOADZHNSA-N	1	0	362.518	1.225	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1	ZINC000266012367	981791455	/nfs/dbraw/zinc/79/14/55/981791455.db2.gz	SLQHXBLOMYZPQJ-ZDUSSCGKSA-N	1	0	374.441	1.443	20	30		FDEDRO
C=C(C)C[C@H](CO)NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000883119501	981962683	/nfs/dbraw/zinc/96/26/83/981962683.db2.gz	BCVCYDIZJIDNGC-GOSISDBHSA-N	1	0	360.502	1.825	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3ccccn31)C2	ZINC001110744944	982002304	/nfs/dbraw/zinc/00/23/04/982002304.db2.gz	VQIBWJUOASOZEK-FPCVCCKLSA-N	1	0	367.453	1.360	20	30		FDEDRO
C=CCC[C@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)[C@@H]1CCCO1	ZINC000883205216	982013125	/nfs/dbraw/zinc/01/31/25/982013125.db2.gz	RKKXONKTMZAJQM-BZSNNMDCSA-N	1	0	351.491	1.023	20	30		FDEDRO
C=CCC[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1Cc2ccccc2O1	ZINC000883232071	982025357	/nfs/dbraw/zinc/02/53/57/982025357.db2.gz	AJGKLIUQLKRPDJ-SOLBZPMBSA-N	1	0	350.484	1.948	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000858394083	982025789	/nfs/dbraw/zinc/02/57/89/982025789.db2.gz	FWJKDGDSCGMFJQ-OALUTQOASA-N	1	0	359.470	1.615	20	30		FDEDRO
CCOC(=O)N(C)C1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1	ZINC000859115774	982544050	/nfs/dbraw/zinc/54/40/50/982544050.db2.gz	GOPYGBMFKCKEDM-KRWDZBQOSA-N	1	0	361.442	1.851	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CCCN(c3ncccc3F)CC2)CCOCC1	ZINC000859270459	982664286	/nfs/dbraw/zinc/66/42/86/982664286.db2.gz	CLRYLYAGTJJLQV-INIZCTEOSA-N	1	0	362.449	1.804	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C	ZINC000133431852	982695613	/nfs/dbraw/zinc/69/56/13/982695613.db2.gz	PNGXXTUVEAUCAE-ZDUSSCGKSA-N	1	0	363.433	1.869	20	30		FDEDRO
CC[NH+](CC)CCCOC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000800186426	982789204	/nfs/dbraw/zinc/78/92/04/982789204.db2.gz	VTNASODVYJPIBO-AWEZNQCLSA-N	1	0	367.471	1.500	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NCc2cccc(OCC(=O)NCC)c2)C1	ZINC000884066481	982812577	/nfs/dbraw/zinc/81/25/77/982812577.db2.gz	YYYVLWZGUBGWJF-KRWDZBQOSA-N	1	0	372.469	1.098	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCCNC(=O)c1ccccc1Cl)C2	ZINC000884066855	982813821	/nfs/dbraw/zinc/81/38/21/982813821.db2.gz	LRWBVXJGERDHST-XYEKJYRLSA-N	1	0	360.845	1.325	20	30		FDEDRO
CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884068222	982816225	/nfs/dbraw/zinc/81/62/25/982816225.db2.gz	IJAKVWUNEZDSLW-ZEVUXNIQSA-N	1	0	355.438	1.416	20	30		FDEDRO
CN(C)C(=O)COc1cccc(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c1	ZINC000884074082	982823602	/nfs/dbraw/zinc/82/36/02/982823602.db2.gz	FAIUCWNURNHOJW-SHYRYGCCSA-N	1	0	356.426	1.231	20	30		FDEDRO
CC[C@H](C)NC(=O)c1cccc(CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c1	ZINC000884078513	982833110	/nfs/dbraw/zinc/83/31/10/982833110.db2.gz	OOCZXNCGLLEJHP-LFLNWHNVSA-N	1	0	368.481	1.970	20	30		FDEDRO
COC(=O)[C@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c2ccccc2O1	ZINC000884084087	982840847	/nfs/dbraw/zinc/84/08/47/982840847.db2.gz	HKQXIVYOKFTWGT-HCZHPHPMSA-N	1	0	355.394	1.093	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)C2	ZINC001110774436	982878625	/nfs/dbraw/zinc/87/86/25/982878625.db2.gz	MMJMZRNHMPUZEO-OAGGEKHMSA-N	1	0	362.474	1.641	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCN(C(=O)CC3CCCCC3)CC1)C2	ZINC000884118590	982898395	/nfs/dbraw/zinc/89/83/95/982898395.db2.gz	KLJPUDZFKAKOGO-IDYZSHNDSA-N	1	0	372.513	1.767	20	30		FDEDRO
CCc1ccc2c(c1)[C@H](CCNC(=O)C1CC3(C1)C[NH2+]C[C@@H]3C#N)C(=O)N2	ZINC000884132301	982915017	/nfs/dbraw/zinc/91/50/17/982915017.db2.gz	MBQQDVKXHYDYHQ-AQZMIJIOSA-N	1	0	366.465	1.930	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NCc2ccnc(OC3CCOCC3)c2)C1	ZINC000884146845	982926357	/nfs/dbraw/zinc/92/63/57/982926357.db2.gz	SPSFHGFUNHPQFG-KRWDZBQOSA-N	1	0	372.469	1.536	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c2ccccc2N(C)C1=O	ZINC000884155303	982932724	/nfs/dbraw/zinc/93/27/24/982932724.db2.gz	ZHCCPBJFSSHXOD-OVCBBOEUSA-N	1	0	352.438	1.771	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCN(c3cccc(Cl)c3)C1=O)C2	ZINC000884165228	982941430	/nfs/dbraw/zinc/94/14/30/982941430.db2.gz	CGRZZMRSHHEHNI-VSELKDKVSA-N	1	0	372.856	1.701	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccnc(OCC(F)(F)F)c1)C2	ZINC000884187234	982963506	/nfs/dbraw/zinc/96/35/06/982963506.db2.gz	YIZWYHNQHKHYDZ-MFOWVQHXSA-N	1	0	368.359	1.778	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(N3CCOCC3)c(F)c1)C2	ZINC000884194673	982970810	/nfs/dbraw/zinc/97/08/10/982970810.db2.gz	PMIHKMBVMLFACM-NGEICVOHSA-N	1	0	372.444	1.418	20	30		FDEDRO
CCc1nc(CN2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CC2)cs1	ZINC000884201743	982976969	/nfs/dbraw/zinc/97/69/69/982976969.db2.gz	GLGARNIDRDARQL-HVEKOLDVSA-N	1	0	373.526	1.489	20	30		FDEDRO
C[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccc(N2CCOCC2)cc1	ZINC000884203316	982978399	/nfs/dbraw/zinc/97/83/99/982978399.db2.gz	TYZIMUHSZHLAHI-TYJOOELLSA-N	1	0	368.481	1.840	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCN(c3c(F)cccc3F)C1)C2	ZINC000884232423	983006492	/nfs/dbraw/zinc/00/64/92/983006492.db2.gz	QOSROMXSKHWUFL-SGJMOYSZSA-N	1	0	360.408	1.799	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)C1	ZINC000884242186	983020561	/nfs/dbraw/zinc/02/05/61/983020561.db2.gz	OKBYYUUCWPZUBP-RBUKOAKNSA-N	1	0	368.481	1.432	20	30		FDEDRO
N#Cc1c2ccccc2[nH]c1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000884280829	983052023	/nfs/dbraw/zinc/05/20/23/983052023.db2.gz	VCEDHVSJKYNELK-AWEZNQCLSA-N	1	0	365.359	1.605	20	30		FDEDRO
CS(=O)(=O)C[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccccc1	ZINC000884326743	983088072	/nfs/dbraw/zinc/08/80/72/983088072.db2.gz	AFEUWFLMCWBXLJ-GARNVTTQSA-N	1	0	361.467	1.028	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCNC(=O)[C@H]1CC1CCCCC1)C2	ZINC000884348380	983106688	/nfs/dbraw/zinc/10/66/88/983106688.db2.gz	XPONEALSQZWTHG-MUZJZNNISA-N	1	0	358.486	1.423	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NCCCn2cc(Br)cn2)C1	ZINC000884352888	983109565	/nfs/dbraw/zinc/10/95/65/983109565.db2.gz	QLWMHGGLRRBABY-AWEZNQCLSA-N	1	0	368.279	1.433	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1	ZINC000859959139	983122371	/nfs/dbraw/zinc/12/23/71/983122371.db2.gz	VRUANMVUTMKODL-AYOQOUSVSA-N	1	0	354.450	1.826	20	30		FDEDRO
COc1ccc(C2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CC2)nc1	ZINC000884381523	983129040	/nfs/dbraw/zinc/12/90/40/983129040.db2.gz	IKGBLKJWBDSEMQ-LFDOHDQPSA-N	1	0	354.454	1.936	20	30		FDEDRO
Cc1cccc([C@H]2C(=O)NCCN2C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c1	ZINC000884416393	983145659	/nfs/dbraw/zinc/14/56/59/983145659.db2.gz	AFQXNJHFLPNZLE-ASPXRTSYSA-N	1	0	352.438	1.134	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N1c2ccc(C)cc2[C@H]2C[N@H+](C)CC[C@H]21	ZINC000884435985	983153952	/nfs/dbraw/zinc/15/39/52/983153952.db2.gz	PUVMLGOGYKIEJT-SOLBZPMBSA-N	1	0	357.454	1.576	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NCc2ccc(Cl)c(C(=O)OC)n2)C1	ZINC000884467444	983172573	/nfs/dbraw/zinc/17/25/73/983172573.db2.gz	WMSSOIILFULYNG-ZDUSSCGKSA-N	1	0	364.833	1.418	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)OC(C)(C)C)C1	ZINC000860037183	983184911	/nfs/dbraw/zinc/18/49/11/983184911.db2.gz	QKMMZEDBPIKQDS-WOYTXXSLSA-N	1	0	361.486	1.702	20	30		FDEDRO
N#CCc1ccc(CS(=O)(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1	ZINC000923687230	983291879	/nfs/dbraw/zinc/29/18/79/983291879.db2.gz	FDQZKDXTPYUAAW-QGZVFWFLSA-N	1	0	363.483	1.412	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1	ZINC001588642453	983764354	/nfs/dbraw/zinc/76/43/54/983764354.db2.gz	UTSMVAHGCLYGRW-HNNXBMFYSA-N	1	0	366.849	1.302	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1	ZINC000861636491	983797870	/nfs/dbraw/zinc/79/78/70/983797870.db2.gz	OOJSSXPVPAKGRN-HXUWFJFHSA-N	1	0	371.481	1.999	20	30		FDEDRO
C#C[C@@H](CO)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1	ZINC000861884745	983973803	/nfs/dbraw/zinc/97/38/03/983973803.db2.gz	PQFGGFHIQLNPFI-GVDBMIGSSA-N	1	0	355.463	1.469	20	30		FDEDRO
C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)C[C@H]21	ZINC000861914071	983990213	/nfs/dbraw/zinc/99/02/13/983990213.db2.gz	IGNMOCAEKDKSOT-VQFNDLOPSA-N	1	0	361.486	1.655	20	30		FDEDRO
COC(=O)[C@@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)CC[N@H+](C)C1	ZINC000861990014	984028246	/nfs/dbraw/zinc/02/82/46/984028246.db2.gz	UGERREYAMXIFRN-KRWDZBQOSA-N	1	0	369.465	1.933	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C	ZINC000862193100	984228364	/nfs/dbraw/zinc/22/83/64/984228364.db2.gz	UHWCXLCUWGWVRV-RHSMWYFYSA-N	1	0	373.453	1.555	20	30		FDEDRO
C[C@@H]([NH2+]C1CCN(CC#N)CC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000862278038	984300313	/nfs/dbraw/zinc/30/03/13/984300313.db2.gz	QNUPDPSXAAFTIV-GDBMZVCRSA-N	1	0	352.479	1.588	20	30		FDEDRO
C#CCCOc1ccc(C[N@H+]2CCC[C@H](CS(=O)(=O)NC)C2)cc1	ZINC000862551027	984410427	/nfs/dbraw/zinc/41/04/27/984410427.db2.gz	JRGOKVBPWWZYDF-KRWDZBQOSA-N	1	0	350.484	1.850	20	30		FDEDRO
C=CCCC[C@H](NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)c1ccccc1	ZINC000884723612	984729708	/nfs/dbraw/zinc/72/97/08/984729708.db2.gz	RPIYXJNUSDFBLW-MSOLQXFVSA-N	1	0	359.470	1.695	20	30		FDEDRO
CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)NCc2ccc(CC#N)cc2)C1	ZINC000884730068	984736762	/nfs/dbraw/zinc/73/67/62/984736762.db2.gz	BOUKBCRWTJROCA-FQEVSTJZSA-N	1	0	356.470	1.592	20	30		FDEDRO
C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CC#N)cc1	ZINC000869058124	984792235	/nfs/dbraw/zinc/79/22/35/984792235.db2.gz	BVMMXBYDIMHBCQ-INIZCTEOSA-N	1	0	360.458	1.824	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCC(C[NH+]3CCOCC3)CC1)C2	ZINC000869190932	984933969	/nfs/dbraw/zinc/93/39/69/984933969.db2.gz	WVSXVTLVDQAGDJ-FQEVSTJZSA-N	1	0	368.481	1.779	20	30		FDEDRO
CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(CCC#N)cc1	ZINC000885050877	985142975	/nfs/dbraw/zinc/14/29/75/985142975.db2.gz	MRICUJROQCOHFC-MRXNPFEDSA-N	1	0	353.488	1.778	20	30		FDEDRO
CCC[NH+](CCC)CCCC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1	ZINC000885318347	985333256	/nfs/dbraw/zinc/33/32/56/985333256.db2.gz	MZGDFPNQFAWJPU-WBVHZDCISA-N	1	0	355.504	1.285	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)c(OC)c1	ZINC000869785498	985346213	/nfs/dbraw/zinc/34/62/13/985346213.db2.gz	SFMRAEOHGIOMQK-INIZCTEOSA-N	1	0	362.470	1.764	20	30		FDEDRO
O=C(NCC[NH2+]Cc1ccccc1OCC(F)F)C1N=CC=CC1=O	ZINC000885985690	985821479	/nfs/dbraw/zinc/82/14/79/985821479.db2.gz	NZDOYZRVWHXAIA-MSUUIHNZSA-N	1	0	351.353	1.947	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1	ZINC000890252912	985831226	/nfs/dbraw/zinc/83/12/26/985831226.db2.gz	UHEUMHVWMYLOMY-QGZVFWFLSA-N	1	0	367.453	1.329	20	30		FDEDRO
CCC1([NH+]2CCCC2)CCN(C(=O)CCNC(=O)C2N=CC=CC2=O)CC1	ZINC000870269991	985855788	/nfs/dbraw/zinc/85/57/88/985855788.db2.gz	OFBFHOUDGRSWNJ-HNENSFHCSA-N	1	0	374.485	1.770	20	30		FDEDRO
C#CC[C@H]1CC[N@@H+]([C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)C1	ZINC000886353860	986091792	/nfs/dbraw/zinc/09/17/92/986091792.db2.gz	RIMMPDRTKGRSIT-NEPJUHHUSA-N	1	0	367.371	1.892	20	30		FDEDRO
C#CC[C@@H]1CC[N@@H+](CC(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)C1	ZINC000886361455	986100356	/nfs/dbraw/zinc/10/03/56/986100356.db2.gz	IVKVRKRVORCMPB-MRXNPFEDSA-N	1	0	352.442	1.871	20	30		FDEDRO
C#CC[N@@H+](CCC(=O)NC(=O)NC)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886427818	986205252	/nfs/dbraw/zinc/20/52/52/986205252.db2.gz	YJFMLCJSRDAPHJ-UHFFFAOYSA-N	1	0	366.462	1.167	20	30		FDEDRO
C#CCN(C(=O)c1cn(-c2ccccc2CC)nn1)C1CC[NH+](C)CC1	ZINC000886574784	986374151	/nfs/dbraw/zinc/37/41/51/986374151.db2.gz	TUKXBFVHKDLIMU-UHFFFAOYSA-N	1	0	351.454	1.999	20	30		FDEDRO
C#CCN(C(=O)c1cnn(CC(OCC)OCC)c1)C1CC[NH+](C)CC1	ZINC000886574595	986374704	/nfs/dbraw/zinc/37/47/04/986374704.db2.gz	LZSMYVOHOPMGJN-UHFFFAOYSA-N	1	0	362.474	1.452	20	30		FDEDRO
C#CCN(C(=O)c1cc2c(ncnc2N(C)C)n1C)C1CC[NH+](C)CC1	ZINC000886578692	986380208	/nfs/dbraw/zinc/38/02/08/986380208.db2.gz	IBFUCKGCSQPQGH-UHFFFAOYSA-N	1	0	354.458	1.204	20	30		FDEDRO
C#CCN(C(=O)c1cc(NC(C)=O)c(OC)c(OC)c1)C1CC[NH+](C)CC1	ZINC000886580928	986384025	/nfs/dbraw/zinc/38/40/25/986384025.db2.gz	CQWPOSOUBVBVBP-UHFFFAOYSA-N	1	0	373.453	1.832	20	30		FDEDRO
C#CCN(C(=O)C1=NN(c2ccccc2)[C@@H](C(C)=O)C1)C1CC[NH+](C)CC1	ZINC000886582059	986386511	/nfs/dbraw/zinc/38/65/11/986386511.db2.gz	FAAZRDNJOFBJLU-HXUWFJFHSA-N	1	0	366.465	1.766	20	30		FDEDRO
C#CCN(C(=O)CCc1c(C)nn(CCC#N)c1C)C1CC[NH+](C)CC1	ZINC000886585213	986389115	/nfs/dbraw/zinc/38/91/15/986389115.db2.gz	MQESIQJYJDDKFV-UHFFFAOYSA-N	1	0	355.486	1.902	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)C1CC[NH+](C)CC1	ZINC000886583654	986389459	/nfs/dbraw/zinc/38/94/59/986389459.db2.gz	ZIPKEXYYKSQBHJ-QGZVFWFLSA-N	1	0	360.502	1.470	20	30		FDEDRO
C#CCN(C(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1)C1CC[NH+](C)CC1	ZINC000886587092	986391685	/nfs/dbraw/zinc/39/16/85/986391685.db2.gz	GNJMFKIARIXIEH-UHFFFAOYSA-N	1	0	370.453	1.773	20	30		FDEDRO
C#CCN1CCC[C@H]([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)C1	ZINC000886661230	986465405	/nfs/dbraw/zinc/46/54/05/986465405.db2.gz	PKSRNQAZPAVLFG-HOCLYGCPSA-N	1	0	350.484	1.847	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C2CC[NH2+]CC2)c1	ZINC000870985820	986561669	/nfs/dbraw/zinc/56/16/69/986561669.db2.gz	CJZXXVJNRBFQRZ-ZDUSSCGKSA-N	1	0	351.472	1.269	20	30		FDEDRO
C=CCC1(O)CC[NH+]([C@H](C)C(=O)N2CCC[C@@H](C(=O)OCC)C2)CC1	ZINC000886764020	986565620	/nfs/dbraw/zinc/56/56/20/986565620.db2.gz	JLJQJNYTCPEZGJ-HZPDHXFCSA-N	1	0	352.475	1.580	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1	ZINC000871001928	986581773	/nfs/dbraw/zinc/58/17/73/986581773.db2.gz	JMBKEXYKAAXIRF-LXZKKBNFSA-N	1	0	357.410	1.259	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2cc(CC#N)ccn2)CC1	ZINC000871723025	987209234	/nfs/dbraw/zinc/20/92/34/987209234.db2.gz	UALWWBCIBOKOFO-UHFFFAOYSA-N	1	0	358.446	1.166	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=NOCc2cn(C[C@H]3CCOC3)nn2)cc1	ZINC000871734126	987211599	/nfs/dbraw/zinc/21/15/99/987211599.db2.gz	AGSAHZGHBXIOJP-OAHLLOKOSA-N	1	0	358.446	1.213	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)ccc1Cl	ZINC000871812695	987263480	/nfs/dbraw/zinc/26/34/80/987263480.db2.gz	BOQALFWOXMSDJR-MWLCHTKSSA-N	1	0	367.780	1.969	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1	ZINC000872246400	987540602	/nfs/dbraw/zinc/54/06/02/987540602.db2.gz	KHWAMPVCLRTMRV-WRXVUKFLSA-N	1	0	364.467	1.243	20	30		FDEDRO
CCOC(=O)/C=C/c1ccc(C=NNC(=S)NCCC[NH+](C)C)n1C	ZINC000872350339	987614932	/nfs/dbraw/zinc/61/49/32/987614932.db2.gz	QLTDAPWOHJNDTB-GNTKTSFNSA-N	1	0	365.503	1.351	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c(C#N)c1	ZINC000872484031	987709775	/nfs/dbraw/zinc/70/97/75/987709775.db2.gz	MEFZQZOILUNPJW-UHFFFAOYSA-N	1	0	350.488	1.171	20	30		FDEDRO
CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2c(C)cccc2C#N)CC1	ZINC000872495309	987719789	/nfs/dbraw/zinc/71/97/89/987719789.db2.gz	NIQDQXRHYNCHIY-UHFFFAOYSA-N	1	0	364.515	1.561	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)C[NH+]1CCCC1	ZINC000298900335	987940419	/nfs/dbraw/zinc/94/04/19/987940419.db2.gz	AGBAJDPMNVOXIK-MRXNPFEDSA-N	1	0	356.474	1.517	20	30		FDEDRO
CN(CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O)[C@H]1CCC[C@H]1C#N	ZINC000872684330	987968828	/nfs/dbraw/zinc/96/88/28/987968828.db2.gz	LZAYJRKOYCHGLR-OKYOBFRVSA-N	1	0	366.465	1.685	20	30		FDEDRO
C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)Nc2ccc(C#N)cn2)C1	ZINC000293214032	987991650	/nfs/dbraw/zinc/99/16/50/987991650.db2.gz	ZVOCUFMGEMAFEO-GASCZTMLSA-N	1	0	357.458	1.766	20	30		FDEDRO
CN(CCc1cccc(C#N)c1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O	ZINC000872705748	987993380	/nfs/dbraw/zinc/99/33/80/987993380.db2.gz	XWBGDTVEEANOCV-HXUWFJFHSA-N	1	0	354.454	1.907	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)CN(C[N@@H+]3CC[C@H]4CSC[C@H]4C3)C2=O)cc1	ZINC000872721274	988007288	/nfs/dbraw/zinc/00/72/88/988007288.db2.gz	HGHOWCOLCDIASN-DLBZAZTESA-N	1	0	370.478	1.965	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(-c2ccnn2C)ccc1C	ZINC000293323148	988035694	/nfs/dbraw/zinc/03/56/94/988035694.db2.gz	IXSLBKJKQBBAPT-UHFFFAOYSA-N	1	0	367.453	1.405	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(N(C(C)=O)C2CC2)cc1	ZINC000293504933	988092634	/nfs/dbraw/zinc/09/26/34/988092634.db2.gz	XNXKOZNJXGRXCF-UHFFFAOYSA-N	1	0	370.453	1.212	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2OCCN(C(=O)COc3ccc(C#N)cc3OC)[C@H]2C1	ZINC000293779180	988203520	/nfs/dbraw/zinc/20/35/20/988203520.db2.gz	BPCSHUYCDJMWQP-JKSUJKDBSA-N	1	0	359.426	1.267	20	30		FDEDRO
CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC000872925397	988292734	/nfs/dbraw/zinc/29/27/34/988292734.db2.gz	RYVZBPASSQLZBK-KRWDZBQOSA-N	1	0	358.490	1.761	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C[N@@H+]1C1CC1	ZINC000872932920	988304066	/nfs/dbraw/zinc/30/40/66/988304066.db2.gz	RVHHFMXTHGKXGU-HOCLYGCPSA-N	1	0	354.458	1.410	20	30		FDEDRO
C[C@H]1CN(c2ccccc2CN(CCC#N)CCN2CCOCC2)CCO1	ZINC000294189396	988336024	/nfs/dbraw/zinc/33/60/24/988336024.db2.gz	KUYYUQQCSATQPM-IBGZPJMESA-N	1	0	372.513	1.960	20	30		FDEDRO
C[N@@H+]1CCCC[C@H](CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1	ZINC000873080473	988517265	/nfs/dbraw/zinc/51/72/65/988517265.db2.gz	PKTLARBUTPNGNS-MRXNPFEDSA-N	1	0	356.474	1.517	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc([C@@H]2CCOC2)cc1	ZINC000294826409	988546404	/nfs/dbraw/zinc/54/64/04/988546404.db2.gz	QTYCJQAHKBRBJW-QGZVFWFLSA-N	1	0	372.469	1.823	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000366259119	988580700	/nfs/dbraw/zinc/58/07/00/988580700.db2.gz	YAJUKWHKFDRWEK-SJORKVTESA-N	1	0	373.457	1.227	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(C(=O)c2cc3c(cc(C)cc3C)[nH]2)CC1	ZINC000363063890	988890857	/nfs/dbraw/zinc/89/08/57/988890857.db2.gz	NNQXYVSVWJIIRH-UHFFFAOYSA-N	1	0	366.465	1.682	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CCN1C1CC1	ZINC000363081065	988906499	/nfs/dbraw/zinc/90/64/99/988906499.db2.gz	DROZPGZDMCCXSM-IAGOWNOFSA-N	1	0	357.458	1.798	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1	ZINC000367252268	988943059	/nfs/dbraw/zinc/94/30/59/988943059.db2.gz	LOOQCWSKHIYWGT-PKOBYXMFSA-N	1	0	372.469	1.574	20	30		FDEDRO
COc1ccc(C(=O)N2CCC[N@H+](CCC(=O)N(C)CCC#N)CC2)cc1	ZINC000367511450	988954581	/nfs/dbraw/zinc/95/45/81/988954581.db2.gz	ZOJVWLKLMAKDFX-UHFFFAOYSA-N	1	0	372.469	1.605	20	30		FDEDRO
CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000367578309	988957065	/nfs/dbraw/zinc/95/70/65/988957065.db2.gz	VKPDVBVPNRGKFU-STBDEUKGSA-N	1	0	360.502	1.034	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1C#N	ZINC000873688297	988994501	/nfs/dbraw/zinc/99/45/01/988994501.db2.gz	NXFGVYLGYYQJKX-KGLIPLIRSA-N	1	0	358.442	1.742	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)cc1C#N	ZINC000873689171	988996263	/nfs/dbraw/zinc/99/62/63/988996263.db2.gz	XUXQXEYZFVZDQI-UHFFFAOYSA-N	1	0	358.442	1.696	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000363212283	988998007	/nfs/dbraw/zinc/99/80/07/988998007.db2.gz	MDGDWHDFRNAWFT-LNLFQRSKSA-N	1	0	357.454	1.941	20	30		FDEDRO
C=CCNC(=O)CNC(=O)[C@@H]1CC[N@H+](C[C@H]2CCCc3ccccc32)C1	ZINC000368826411	989011000	/nfs/dbraw/zinc/01/10/00/989011000.db2.gz	QXMIYSVSEZRFHQ-QZTJIDSGSA-N	1	0	355.482	1.847	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCc1nnc2ccc(C(F)(F)F)cn21	ZINC000296183259	989021053	/nfs/dbraw/zinc/02/10/53/989021053.db2.gz	MDDUWLHKYUVUMV-UHFFFAOYSA-N	1	0	368.363	1.502	20	30		FDEDRO
CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)Nc1nn(C(C)C)cc1C#N	ZINC000369515007	989057186	/nfs/dbraw/zinc/05/71/86/989057186.db2.gz	GHOUVEGZKJIUIY-JKSUJKDBSA-N	1	0	372.473	1.749	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)CC1	ZINC000369594219	989062274	/nfs/dbraw/zinc/06/22/74/989062274.db2.gz	XQCQKODSLOFYIJ-SFHVURJKSA-N	1	0	373.522	1.886	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC1CC[NH+](C2CCC2)CC1	ZINC000296287664	989097989	/nfs/dbraw/zinc/09/79/89/989097989.db2.gz	UXKNQVGXPFYKSU-UHFFFAOYSA-N	1	0	373.428	1.909	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCCN2C(=O)[C@@H]2CCCO2)CC1	ZINC000369757372	989148791	/nfs/dbraw/zinc/14/87/91/989148791.db2.gz	LQGQLABREBYLAF-ROUUACIJSA-N	1	0	361.486	1.150	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C(=O)N(C)c2ccccc2)CC1	ZINC000363441092	989203676	/nfs/dbraw/zinc/20/36/76/989203676.db2.gz	GMDDSRXSMCNIOR-HNNXBMFYSA-N	1	0	372.469	1.762	20	30		FDEDRO
Cc1nc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)ccc1C#N	ZINC000369820491	989213176	/nfs/dbraw/zinc/21/31/76/989213176.db2.gz	VDAGAANGJDPAMS-MAUKXSAKSA-N	1	0	352.442	1.808	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1	ZINC000363540027	989280209	/nfs/dbraw/zinc/28/02/09/989280209.db2.gz	RLTSDXGWPWVIRZ-MSOLQXFVSA-N	1	0	372.469	1.665	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)CC1	ZINC000363574418	989316048	/nfs/dbraw/zinc/31/60/48/989316048.db2.gz	FIEGZMBMBRZRTL-QUCCMNQESA-N	1	0	353.466	1.810	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N[C@@H](C)CN3CCOCC3)C2)n1	ZINC000363588040	989326510	/nfs/dbraw/zinc/32/65/10/989326510.db2.gz	WFAAJCNWWSUCMU-FUHWJXTLSA-N	1	0	371.485	1.315	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cnc(Oc2ccccc2)nc1	ZINC000873896083	989409498	/nfs/dbraw/zinc/40/94/98/989409498.db2.gz	NDNHNTDDGIOWGO-UHFFFAOYSA-N	1	0	367.409	1.279	20	30		FDEDRO
CN1CC[NH+](CC2CCN(C(=O)NCC3CCC(C#N)CC3)CC2)CC1	ZINC000370247239	989589060	/nfs/dbraw/zinc/58/90/60/989589060.db2.gz	MXXSPVQFDIMDKZ-UHFFFAOYSA-N	1	0	361.534	1.985	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@@H](O)C1	ZINC000968676369	1015518540	/nfs/dbraw/zinc/51/85/40/1015518540.db2.gz	KCPWMMLCVIAFES-PMPSAXMXSA-N	1	0	351.491	1.007	20	30		FDEDRO
CC(C)N1CC[NH+](C2CCN(CC(=O)N(CCC#N)CCC#N)CC2)CC1	ZINC000370692892	989935664	/nfs/dbraw/zinc/93/56/64/989935664.db2.gz	VULAEBPPHMOTMA-UHFFFAOYSA-N	1	0	374.533	1.133	20	30		FDEDRO
CC(C)CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc(C#N)n1	ZINC000874216554	989945890	/nfs/dbraw/zinc/94/58/90/989945890.db2.gz	MTNCPDBRNWLLDM-UHFFFAOYSA-N	1	0	357.458	1.718	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cn1ncc2cccnc21	ZINC000874245272	989981936	/nfs/dbraw/zinc/98/19/36/989981936.db2.gz	DRZGIEMQCJFUFA-UHFFFAOYSA-N	1	0	362.437	1.893	20	30		FDEDRO
N#CCn1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)cn1	ZINC000874253384	989987779	/nfs/dbraw/zinc/98/77/79/989987779.db2.gz	OCFOKPKESZQMTI-ICSRJNTNSA-N	1	0	365.437	1.884	20	30		FDEDRO
CC[NH+]1CCN(CCCNC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)CC1	ZINC000298452047	990117018	/nfs/dbraw/zinc/11/70/18/990117018.db2.gz	HMPMWEWSUXZEBE-UHFFFAOYSA-N	1	0	373.501	1.352	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CC(=O)NCc1ccc(C#N)cc1	ZINC000371292475	990344004	/nfs/dbraw/zinc/34/40/04/990344004.db2.gz	CEZXADXERDBDHY-QRVBRYPASA-N	1	0	356.470	1.358	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1cnn(C)c1	ZINC001095432707	990346306	/nfs/dbraw/zinc/34/63/06/990346306.db2.gz	AZSQFWAIYIWOLO-GFEQUFNTSA-N	1	0	358.486	1.665	20	30		FDEDRO
CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3)C2)CC1	ZINC000371417458	990416233	/nfs/dbraw/zinc/41/62/33/990416233.db2.gz	KSVRBZMAMZIQCH-SFHVURJKSA-N	1	0	369.469	1.124	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cc1	ZINC000371464961	990451328	/nfs/dbraw/zinc/45/13/28/990451328.db2.gz	YIRBMJBDSBXUKN-KRWDZBQOSA-N	1	0	355.482	1.939	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)cc1	ZINC000371664020	990608130	/nfs/dbraw/zinc/60/81/30/990608130.db2.gz	OLVGCFSISHLNCB-IEBWSBKVSA-N	1	0	358.486	1.474	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1	ZINC000874995145	990697698	/nfs/dbraw/zinc/69/76/98/990697698.db2.gz	XEYOJZPNVDIAFW-RTBURBONSA-N	1	0	371.481	1.484	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)NC[C@@H](CC)[N@@H+]1CCc2ccccc2C1	ZINC000875058330	990803017	/nfs/dbraw/zinc/80/30/17/990803017.db2.gz	LCBUOMMFVMJTJG-RTBURBONSA-N	1	0	371.481	1.094	20	30		FDEDRO
C[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)n1cnc(C#N)n1	ZINC000409755348	990808549	/nfs/dbraw/zinc/80/85/49/990808549.db2.gz	XPPLOMORPRVQDT-RDJZCZTQSA-N	1	0	352.442	1.691	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@H](C[NH+]2CCN(C)CC2)C1	ZINC000372369655	991049046	/nfs/dbraw/zinc/04/90/46/991049046.db2.gz	NJGQCIHADRNXRT-PKOBYXMFSA-N	1	0	369.513	1.845	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccccc1C#N)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000372369292	991049132	/nfs/dbraw/zinc/04/91/32/991049132.db2.gz	XZDLYDABSKDNED-LPHOPBHVSA-N	1	0	369.513	1.986	20	30		FDEDRO
C=CCCOCCNC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000372474970	991145291	/nfs/dbraw/zinc/14/52/91/991145291.db2.gz	PZVAYJDUZVNZEJ-HXUWFJFHSA-N	1	0	361.486	1.858	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)c1C#N	ZINC000372662880	991318908	/nfs/dbraw/zinc/31/89/08/991318908.db2.gz	HDSXCMJQIUZVIG-JKSUJKDBSA-N	1	0	370.453	1.253	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2nn(C)cc2C#N)[C@@H](c2cnn(C)c2)C1	ZINC000875397409	991466841	/nfs/dbraw/zinc/46/68/41/991466841.db2.gz	XKCPBYNSRAKZQX-HZPDHXFCSA-N	1	0	355.446	1.478	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1	ZINC000125432806	991574053	/nfs/dbraw/zinc/57/40/53/991574053.db2.gz	LVORETXKHBQVJJ-OAHLLOKOSA-N	1	0	357.414	1.348	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000875606421	991797095	/nfs/dbraw/zinc/79/70/95/991797095.db2.gz	URXYWNXUQIDGOM-MJGOQNOKSA-N	1	0	371.481	1.264	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)CC2)CC[N@@H+]1C	ZINC000964821519	1015681765	/nfs/dbraw/zinc/68/17/65/1015681765.db2.gz	LQXKZSJIDSZVFH-XYJFISCASA-N	1	0	371.485	1.728	20	30		FDEDRO
C[NH+](C)C[C@](C)(O)CNC(=O)NC1CCN(c2ccccc2C#N)CC1	ZINC000876002778	992248972	/nfs/dbraw/zinc/24/89/72/992248972.db2.gz	ISLIWMITDIZGFS-LJQANCHMSA-N	1	0	359.474	1.139	20	30		FDEDRO
N#Cc1ccccc1N1CCC(NC(=O)NCCNc2cc[nH+]cc2)CC1	ZINC000876002677	992249102	/nfs/dbraw/zinc/24/91/02/992249102.db2.gz	KCQMSJYLIXLEGL-UHFFFAOYSA-N	1	0	364.453	1.755	20	30		FDEDRO
C[C@@H]1CN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC[N@@H+]1CC(C)(C)O	ZINC000876282720	992522358	/nfs/dbraw/zinc/52/23/58/992522358.db2.gz	WTNXALWNASTENY-RDTXWAMCSA-N	1	0	356.470	1.512	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1	ZINC000411662585	992539725	/nfs/dbraw/zinc/53/97/25/992539725.db2.gz	BUOHRDFXDPGHFN-AWEZNQCLSA-N	1	0	358.442	1.744	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C(=O)NC2CCN(c3ccc(C)cn3)CC2)C1=O	ZINC000373987158	992550024	/nfs/dbraw/zinc/55/00/24/992550024.db2.gz	XHUSCURBZOKJKO-KRWDZBQOSA-N	1	0	371.485	1.787	20	30		FDEDRO
CCN1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)CC1=O	ZINC001095492228	992651819	/nfs/dbraw/zinc/65/18/19/992651819.db2.gz	WRWFTNGGBMOWFI-RDGPPVDQSA-N	1	0	366.465	1.648	20	30		FDEDRO
CCN(CC)C(=O)CN1CCC[N@H+](CCCC2(C#N)CCOCC2)CC1	ZINC000374166127	992663507	/nfs/dbraw/zinc/66/35/07/992663507.db2.gz	VCSUFRFIARWPPT-UHFFFAOYSA-N	1	0	364.534	1.963	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1	ZINC000876513239	992678388	/nfs/dbraw/zinc/67/83/88/992678388.db2.gz	JBGUEXXRXCNZRJ-HNNXBMFYSA-N	1	0	350.488	1.385	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1	ZINC000876547474	992696873	/nfs/dbraw/zinc/69/68/73/992696873.db2.gz	BRSSPUOFYZZPRR-SFHVURJKSA-N	1	0	364.405	1.323	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1	ZINC000876559425	992705343	/nfs/dbraw/zinc/70/53/43/992705343.db2.gz	YQUHGGOPSPUUQO-QGZVFWFLSA-N	1	0	356.470	1.695	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[N@@H+]1CCCN(CC(=O)N2CCCC2)CC1	ZINC000876567578	992709839	/nfs/dbraw/zinc/70/98/39/992709839.db2.gz	BESQNWDAOIUDRC-UHFFFAOYSA-N	1	0	369.513	1.754	20	30		FDEDRO
COC(=O)[C@H]1CN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC[N@H+](C)C1	ZINC000411921386	992711111	/nfs/dbraw/zinc/71/11/11/992711111.db2.gz	SHCCTSHQGORYGB-DLBZAZTESA-N	1	0	372.469	1.358	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](CC(=O)OC)c1ccc(OC)c(OC)c1	ZINC000876569426	992711311	/nfs/dbraw/zinc/71/13/11/992711311.db2.gz	STSWUYLZNOWOKE-CHWSQXEVSA-N	1	0	370.833	1.894	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC2CCC(C#N)CC2)CC1=O	ZINC000374237073	992717762	/nfs/dbraw/zinc/71/77/62/992717762.db2.gz	IQEXIBKEXMFEQE-FOIPXRHGSA-N	1	0	360.502	1.765	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)CC1	ZINC000411930474	992720953	/nfs/dbraw/zinc/72/09/53/992720953.db2.gz	ZHDJAOCATFFBCK-AQNXPRMDSA-N	1	0	370.497	1.487	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1	ZINC000876590546	992725316	/nfs/dbraw/zinc/72/53/16/992725316.db2.gz	XBOIGCIGJIDVQR-LRDDRELGSA-N	1	0	365.861	1.991	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1	ZINC000876601652	992732102	/nfs/dbraw/zinc/73/21/02/992732102.db2.gz	WYNNMLLNDSVAFD-CQSZACIVSA-N	1	0	357.788	1.719	20	30		FDEDRO
CCOC(=O)C1CCC(NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876606956	992738457	/nfs/dbraw/zinc/73/84/57/992738457.db2.gz	NDNHDMSWEMYICF-PVARCSIZSA-N	1	0	355.438	1.983	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCc1n[nH]cc1Br	ZINC000876647646	992769363	/nfs/dbraw/zinc/76/93/63/992769363.db2.gz	HACOEVKJRDTVCX-CQSZACIVSA-N	1	0	360.215	1.547	20	30		FDEDRO
C[C@@H]1C[C@H](O)C[N@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000412046203	992780230	/nfs/dbraw/zinc/78/02/30/992780230.db2.gz	ZGMWOTHKWHZTSF-AYOQOUSVSA-N	1	0	374.460	1.237	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O	ZINC000876672114	992784950	/nfs/dbraw/zinc/78/49/50/992784950.db2.gz	STIUNCXBWYBDJX-LSDHHAIUSA-N	1	0	351.834	1.382	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](c1cccc(C)c1)N1CCOCC1	ZINC000876722443	992834844	/nfs/dbraw/zinc/83/48/44/992834844.db2.gz	UXFBQYCBJHHRDU-DLBZAZTESA-N	1	0	351.878	1.954	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1	ZINC000876745820	992865438	/nfs/dbraw/zinc/86/54/38/992865438.db2.gz	PIQNBKGBANHTQU-MRXNPFEDSA-N	1	0	364.877	1.311	20	30		FDEDRO
Cc1nnc([C@H]2CCCN(C(=O)[C@H]3[NH2+]CCc4cc(C#N)ccc43)C2)[nH]1	ZINC000876779879	992904906	/nfs/dbraw/zinc/90/49/06/992904906.db2.gz	CXCOVMWPFGWFNN-RDJZCZTQSA-N	1	0	350.426	1.578	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCC([C@H]3CCOC3)CC2)CC1	ZINC000374593043	992905779	/nfs/dbraw/zinc/90/57/79/992905779.db2.gz	IBMYRQSOMMRMGZ-RBUKOAKNSA-N	1	0	362.518	1.427	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000876780732	992906724	/nfs/dbraw/zinc/90/67/24/992906724.db2.gz	AHEMCJFPEWSPHW-QGZVFWFLSA-N	1	0	366.893	1.403	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000876789441	992914358	/nfs/dbraw/zinc/91/43/58/992914358.db2.gz	AXGHKNCZDGJXCA-LJQANCHMSA-N	1	0	355.486	1.363	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@]2(C)CCC[NH2+]C2)s1	ZINC000876798997	992918641	/nfs/dbraw/zinc/91/86/41/992918641.db2.gz	VEJVWTWLKOASSV-INIZCTEOSA-N	1	0	371.528	1.261	20	30		FDEDRO
N#Cc1ccc2c(c1)CCN[C@H]2C(=O)Nc1cnn(C2CC[NH2+]CC2)c1	ZINC000876800399	992919290	/nfs/dbraw/zinc/91/92/90/992919290.db2.gz	LOUOPBTYMMYMNQ-GOSISDBHSA-N	1	0	350.426	1.505	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1	ZINC000876874710	992944514	/nfs/dbraw/zinc/94/45/14/992944514.db2.gz	ITPJQYPIBDAZMT-AWEZNQCLSA-N	1	0	354.813	1.972	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1	ZINC000876894800	992954174	/nfs/dbraw/zinc/95/41/74/992954174.db2.gz	XLBOGCZYBLTWPM-JKSUJKDBSA-N	1	0	365.861	1.043	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@]3(CCC[NH2+]3)C2)s1	ZINC000876924726	992969313	/nfs/dbraw/zinc/96/93/13/992969313.db2.gz	UUUGZORPSXQDAK-MRXNPFEDSA-N	1	0	369.512	1.109	20	30		FDEDRO
CN(C)C(=O)NC[C@H]1OC[C@@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)C[C@@H]21	ZINC001137116504	993081329	/nfs/dbraw/zinc/08/13/29/993081329.db2.gz	GZYRWRCHWNTRSM-YTQUADARSA-N	1	0	372.469	1.697	20	30		FDEDRO
N#Cc1ccccc1N1CCC(NC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1	ZINC000877175394	993088325	/nfs/dbraw/zinc/08/83/25/993088325.db2.gz	JDYYMIDIAIOPMS-OAHLLOKOSA-N	1	0	364.453	1.757	20	30		FDEDRO
Cc1ccccc1CN1CCO[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1	ZINC000877229970	993123512	/nfs/dbraw/zinc/12/35/12/993123512.db2.gz	UOPPJOLTGVDPNP-RTBURBONSA-N	1	0	358.486	1.723	20	30		FDEDRO
C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CCO1	ZINC000877234976	993127762	/nfs/dbraw/zinc/12/77/62/993127762.db2.gz	KNWJHCFXDOUFGH-ZBFHGGJFSA-N	1	0	353.344	1.925	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)c1cn([C@H]3CCC[NH2+]CC3)nn1)C2	ZINC000877265272	993162119	/nfs/dbraw/zinc/16/21/19/993162119.db2.gz	BAWXMZJVIQRDQE-SJORKVTESA-N	1	0	350.426	1.362	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1	ZINC000877356451	993242161	/nfs/dbraw/zinc/24/21/61/993242161.db2.gz	NYNBBBVUYIZUPG-NEPJUHHUSA-N	1	0	357.332	1.541	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CCn1cncn1	ZINC000968861143	1015772050	/nfs/dbraw/zinc/77/20/50/1015772050.db2.gz	HCAMQDXMNKGIJX-KSZLIROESA-N	1	0	361.490	1.620	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1	ZINC000877514105	993313490	/nfs/dbraw/zinc/31/34/90/993313490.db2.gz	GHDONMAWNVMPLP-INIZCTEOSA-N	1	0	364.515	1.728	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCCC(=O)N2)C3)c1	ZINC001095585258	993611393	/nfs/dbraw/zinc/61/13/93/993611393.db2.gz	FRCUQVYLOLPSML-BDXSIMOUSA-N	1	0	352.438	1.448	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H]3CCCN(O)C3=O)cc2)CC1	ZINC000878022341	993620047	/nfs/dbraw/zinc/62/00/47/993620047.db2.gz	ZPMAXFCTEIVUPD-MRXNPFEDSA-N	1	0	361.446	1.330	20	30		FDEDRO
Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)ccc1=O	ZINC001095677700	993979945	/nfs/dbraw/zinc/97/99/45/993979945.db2.gz	JYLXWBLFWGORNT-QYZOEREBSA-N	1	0	362.433	1.792	20	30		FDEDRO
CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CCCN(O)C2=O)cc1	ZINC000878691959	994124832	/nfs/dbraw/zinc/12/48/32/994124832.db2.gz	MKOSHYACJFPCJI-MRXNPFEDSA-N	1	0	364.446	1.909	20	30		FDEDRO
C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1CCC[N@@H+](C(C)C)CC1	ZINC000651548416	1015839232	/nfs/dbraw/zinc/83/92/32/1015839232.db2.gz	JCBKSQUMWBDCSY-UHFFFAOYSA-N	1	0	358.494	1.879	20	30		FDEDRO
C[C@@H]1C[NH+](C[C@@](C)(O)CN(C)C(=O)OC(C)(C)C)C[C@@H](C)N1CC#N	ZINC000878772148	994214169	/nfs/dbraw/zinc/21/41/69/994214169.db2.gz	GPOUKWMKWXQFSJ-RKVPGOIHSA-N	1	0	354.495	1.522	20	30		FDEDRO
C[NH+]1CCC(NC(=O)CN2CCC(Nc3ccccc3C#N)CC2)CC1	ZINC000878961475	994386416	/nfs/dbraw/zinc/38/64/16/994386416.db2.gz	CBRRMCRVHMYVTH-UHFFFAOYSA-N	1	0	355.486	1.645	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1cnn(CC)n1)C2	ZINC000965140890	1015857266	/nfs/dbraw/zinc/85/72/66/1015857266.db2.gz	JHPNLLRNQBCFGY-JUTOSJBISA-N	1	0	359.474	1.406	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+][C@@H]1CCCN(C)C1=O)C2	ZINC000965159418	1015864156	/nfs/dbraw/zinc/86/41/56/1015864156.db2.gz	DIHHSUMSLJHQTP-DMJMGIBUSA-N	1	0	361.486	1.215	20	30		FDEDRO
C=CCC[C@@H](CO)NC(=O)c1nnn(-c2cccc3c2CC[N@@H+](C)C3)c1C	ZINC000654296572	1015866100	/nfs/dbraw/zinc/86/61/00/1015866100.db2.gz	XRVDONIHFPZMLV-INIZCTEOSA-N	1	0	369.469	1.621	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC[C@@H]21	ZINC000879202703	994631454	/nfs/dbraw/zinc/63/14/54/994631454.db2.gz	NEAIRIDDIRCYEJ-HOCLYGCPSA-N	1	0	351.414	1.697	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CN1C(=O)N[C@@H]([C@H](O)c2cccnc2)C1=O)C(C)C	ZINC000924485410	994734536	/nfs/dbraw/zinc/73/45/36/994734536.db2.gz	NDBKOJNCCPZMHT-FGTMMUONSA-N	1	0	372.469	1.734	20	30		FDEDRO
COc1cccc([C@@H]2CN(CC(=O)NCc3ccc(C#N)cc3)CC[NH2+]2)c1	ZINC000879525534	994977785	/nfs/dbraw/zinc/97/77/85/994977785.db2.gz	NJDDIYBYTZRNIA-FQEVSTJZSA-N	1	0	364.449	1.830	20	30		FDEDRO
CC(C)(C)OC(=O)NCC[C@@H](O)C[NH+]1CCN(c2ccc(C#N)cc2)CC1	ZINC000879586424	995051109	/nfs/dbraw/zinc/05/11/09/995051109.db2.gz	LYXXPEJHEQIBHD-GOSISDBHSA-N	1	0	374.485	1.956	20	30		FDEDRO
C[C@@H](C#N)CN(C)C(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000924878537	995089908	/nfs/dbraw/zinc/08/99/08/995089908.db2.gz	GVKWOIPFDNYJMP-AWEZNQCLSA-N	1	0	367.494	1.777	20	30		FDEDRO
C[NH+](C)CCn1nccc1NC(=O)N1CCN(c2ccc(C#N)cc2)CC1	ZINC000879673216	995158359	/nfs/dbraw/zinc/15/83/59/995158359.db2.gz	GWTHVYHCJXVYJN-UHFFFAOYSA-N	1	0	367.457	1.670	20	30		FDEDRO
C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12	ZINC000925174681	995373489	/nfs/dbraw/zinc/37/34/89/995373489.db2.gz	DNDLLFZTJSQPEB-CABCVRRESA-N	1	0	367.515	1.553	20	30		FDEDRO
CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1	ZINC000128177539	995609505	/nfs/dbraw/zinc/60/95/05/995609505.db2.gz	FUPLWQLDCVLOCQ-OAHLLOKOSA-N	1	0	371.485	1.964	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCNC(=O)CC23CCC3)c(OC)c1	ZINC000880172199	995706970	/nfs/dbraw/zinc/70/69/70/995706970.db2.gz	WOYKRVCMYLWDER-QGZVFWFLSA-N	1	0	374.481	1.908	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](N3CCC[C@H]([NH2+]C4CCOCC4)C3)C2=O)cc1	ZINC000880205611	995721510	/nfs/dbraw/zinc/72/15/10/995721510.db2.gz	QOXDVJBAMBDFLC-ICSRJNTNSA-N	1	0	368.481	1.897	20	30		FDEDRO
N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[NH+]2CCC(F)CC2)CC1	ZINC000880239697	995745600	/nfs/dbraw/zinc/74/56/00/995745600.db2.gz	CRLMLLPWZPEIPL-SFHVURJKSA-N	1	0	362.424	1.968	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O	ZINC000926144086	995935649	/nfs/dbraw/zinc/93/56/49/995935649.db2.gz	SMWHBVBCONCYNX-ATIFRJIPSA-N	1	0	351.491	1.053	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O	ZINC000926235008	995983199	/nfs/dbraw/zinc/98/31/99/995983199.db2.gz	PHJAHAHBBQXCHU-YYCWZVFASA-N	1	0	350.503	1.954	20	30		FDEDRO
CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3cnn(CCC#N)c3C)C2)[C@@H]1C(C)C	ZINC000926252248	995998718	/nfs/dbraw/zinc/99/87/18/995998718.db2.gz	CFZCRBXZYQGLOI-XSYGEPLQSA-N	1	0	373.501	1.705	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1	ZINC000926287777	996025477	/nfs/dbraw/zinc/02/54/77/996025477.db2.gz	OMZCXFJAKHXWKS-MRXNPFEDSA-N	1	0	371.890	1.228	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1	ZINC000926788553	996302746	/nfs/dbraw/zinc/30/27/46/996302746.db2.gz	IBFOTHJFKAMRJX-IBGZPJMESA-N	1	0	373.497	1.741	20	30		FDEDRO
CCO[C@H](CNC(=O)N1CCN(c2ccsc2C#N)CC1)C[NH+](C)C	ZINC000926847985	996338264	/nfs/dbraw/zinc/33/82/64/996338264.db2.gz	PUHAGEPROHRATF-CQSZACIVSA-N	1	0	365.503	1.418	20	30		FDEDRO
Cc1ccc(CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1C#N	ZINC000926868294	996350066	/nfs/dbraw/zinc/35/00/66/996350066.db2.gz	VWTALRAZLUGLTR-SFHVURJKSA-N	1	0	369.469	1.315	20	30		FDEDRO
CCN(C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@@H]1CC[NH2+]C1	ZINC000887000654	996814793	/nfs/dbraw/zinc/81/47/93/996814793.db2.gz	IZBIZJISYSTIDR-GFCCVEGCSA-N	1	0	354.332	1.726	20	30		FDEDRO
CCN(C(=O)C(=O)Nc1ccc(C#N)c(Br)c1)[C@H]1CC[NH2+]C1	ZINC000887007420	996824011	/nfs/dbraw/zinc/82/40/11/996824011.db2.gz	KDPQNNVKXWTBQY-LBPRGKRZSA-N	1	0	365.231	1.470	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F	ZINC000887035317	996851113	/nfs/dbraw/zinc/85/11/13/996851113.db2.gz	LHMJKXCANPGQHH-LBPRGKRZSA-N	1	0	367.400	1.414	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)Nc2ccc(S(C)(=O)=O)cc2)CCOCC1	ZINC000887123506	996954561	/nfs/dbraw/zinc/95/45/61/996954561.db2.gz	RWOCWWKCEYWBHF-UHFFFAOYSA-N	1	0	350.440	1.191	20	30		FDEDRO
C[C@H]1CN(c2cc[nH+]cc2)CCN1CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000887133392	996959719	/nfs/dbraw/zinc/95/97/19/996959719.db2.gz	ZVYKHDYCPXEBCT-INIZCTEOSA-N	1	0	370.478	1.938	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1ccnc(N2CCCCC2)c1	ZINC000264058011	997390884	/nfs/dbraw/zinc/39/08/84/997390884.db2.gz	BRVGVQMZZFNHNS-UHFFFAOYSA-N	1	0	360.506	1.199	20	30		FDEDRO
Cc1cc(C)n(-c2ccc(CNC(=[NH2+])NCCCN3CCOCC3)cn2)n1	ZINC000264071146	997395805	/nfs/dbraw/zinc/39/58/05/997395805.db2.gz	DGVYOQVICUGUTF-UHFFFAOYSA-N	1	0	371.489	1.011	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC)c(OC)c2)CC1	ZINC000264511589	997527444	/nfs/dbraw/zinc/52/74/44/997527444.db2.gz	ZQBOHDOOKMGXJS-UHFFFAOYSA-N	1	0	361.442	1.799	20	30		FDEDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)CCC(=O)N(CCC#N)c1ccccc1	ZINC000264671301	997566950	/nfs/dbraw/zinc/56/69/50/997566950.db2.gz	AXFVOVGQWALIGC-SFHVURJKSA-N	1	0	371.485	1.075	20	30		FDEDRO
COC(=O)C1CC[NH+](CCCNC(=O)Cc2ccc(OCC#N)cc2)CC1	ZINC000264772127	997601040	/nfs/dbraw/zinc/60/10/40/997601040.db2.gz	PIEUGNVUGCQAOY-UHFFFAOYSA-N	1	0	373.453	1.523	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(c2cc(-n3cc(N)c(C#N)n3)cc[nH+]2)CC1	ZINC001212836197	997656193	/nfs/dbraw/zinc/65/61/93/997656193.db2.gz	WDXZSPAAUMUGNH-UHFFFAOYSA-N	1	0	369.429	1.778	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1cccc(OCC(F)(F)F)c1	ZINC000264989073	997668389	/nfs/dbraw/zinc/66/83/89/997668389.db2.gz	OYQSGIOEELZPJS-UHFFFAOYSA-N	1	0	374.407	1.625	20	30		FDEDRO
C[NH+]1CCN(c2cccc(C(=O)N3CCC4(CC3)CC(=O)C=CO4)n2)CC1	ZINC000887775418	997775260	/nfs/dbraw/zinc/77/52/60/997775260.db2.gz	VUFAGQPWRWJYOK-UHFFFAOYSA-N	1	0	370.453	1.311	20	30		FDEDRO
C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000265412943	997784425	/nfs/dbraw/zinc/78/44/25/997784425.db2.gz	NKPMLVICIOORBV-JVMRMLDLSA-N	1	0	370.453	1.192	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000889773331	998637406	/nfs/dbraw/zinc/63/74/06/998637406.db2.gz	ANNGVPCBTWDGQY-RBUKOAKNSA-N	1	0	373.501	1.404	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(OC)c2OC)CC1	ZINC000889903599	998722664	/nfs/dbraw/zinc/72/26/64/998722664.db2.gz	DNNNDSAETWUDKK-UHFFFAOYSA-N	1	0	361.442	1.799	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1C1CC1	ZINC000889937435	998734917	/nfs/dbraw/zinc/73/49/17/998734917.db2.gz	AQRCQKCNJJUEEU-SJORKVTESA-N	1	0	368.437	1.354	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)NC2CC[NH+](C3CCCCC3)CC2)n1	ZINC000889981464	998757639	/nfs/dbraw/zinc/75/76/39/998757639.db2.gz	ZTFZZVVNNMMXDF-UHFFFAOYSA-N	1	0	369.469	1.999	20	30		FDEDRO
C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000890137359	998835015	/nfs/dbraw/zinc/83/50/15/998835015.db2.gz	DGPNWRYDHPMRAC-MAUKXSAKSA-N	1	0	369.469	1.528	20	30		FDEDRO
C=C(C)CCNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000890307603	998899512	/nfs/dbraw/zinc/89/95/12/998899512.db2.gz	PHVRMGNZNKKYPF-SFHVURJKSA-N	1	0	356.470	1.992	20	30		FDEDRO
COC(=O)C1CC[NH+](CCCNC(=O)Cc2ccccc2CC#N)CC1	ZINC000777305699	999000710	/nfs/dbraw/zinc/00/07/10/999000710.db2.gz	RKOIHNANCKWXRM-UHFFFAOYSA-N	1	0	357.454	1.686	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNc3ccc(C#N)c(C)n3)C2)CC[N@@H+]1C	ZINC001066686804	999016561	/nfs/dbraw/zinc/01/65/61/999016561.db2.gz	BEXMCDLVNWDVHS-OKZBNKHCSA-N	1	0	371.485	1.631	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn3c1nc(C)cc3C)C2	ZINC001110882370	999108398	/nfs/dbraw/zinc/10/83/98/999108398.db2.gz	HAJCECIWQNTEIM-NXHRZFHOSA-N	1	0	369.469	1.884	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccn(CC(=O)OC)n1)C(C)C	ZINC000266456919	999167500	/nfs/dbraw/zinc/16/75/00/999167500.db2.gz	RYIYIULBBRRMTN-HNNXBMFYSA-N	1	0	363.462	1.876	20	30		FDEDRO
Cc1cc(NC(=O)CO[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)no1	ZINC000266640011	999207645	/nfs/dbraw/zinc/20/76/45/999207645.db2.gz	TYDUZBCSKUPBRE-UHFFFAOYSA-N	1	0	373.413	1.220	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CO2	ZINC000965722296	1016309433	/nfs/dbraw/zinc/30/94/33/1016309433.db2.gz	XLBMHMYJJYPZSO-OWCLPIDISA-N	1	0	363.502	1.415	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)c(OC)cc2OC)CC1	ZINC000268066315	999422228	/nfs/dbraw/zinc/42/22/28/999422228.db2.gz	PLCBWZNTHRXTAQ-UHFFFAOYSA-N	1	0	365.405	1.548	20	30		FDEDRO
CO/N=C(/C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)c1ccco1	ZINC000269453807	999468630	/nfs/dbraw/zinc/46/86/30/999468630.db2.gz	URPLAGFLSNBQCH-HGNXGAGXSA-N	1	0	357.414	1.804	20	30		FDEDRO
CC(=O)N1CCN(CCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CC1	ZINC000269643791	999470665	/nfs/dbraw/zinc/47/06/65/999470665.db2.gz	RXNORKPZTFUWNN-UHFFFAOYSA-N	1	0	373.379	1.476	20	30		FDEDRO
CC(C)N1CC[NH+](C2CCN(C(=O)COc3ccc(C#N)cc3)CC2)CC1	ZINC000270828811	999621346	/nfs/dbraw/zinc/62/13/46/999621346.db2.gz	CIUQTFAZJIOMLL-UHFFFAOYSA-N	1	0	370.497	1.954	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)nn1CCC#N	ZINC000271064546	999655307	/nfs/dbraw/zinc/65/53/07/999655307.db2.gz	MCVYYGGRBFGLOB-UHFFFAOYSA-N	1	0	360.462	1.234	20	30		FDEDRO
C[N@@H+]1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C(C)(C)C1	ZINC000271075989	999657018	/nfs/dbraw/zinc/65/70/18/999657018.db2.gz	WWVBHAZQCDURNM-UHFFFAOYSA-N	1	0	352.442	1.708	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)CNC(=O)Cc1ccc(O)cc1)C(C)C	ZINC000274299857	999737778	/nfs/dbraw/zinc/73/77/78/999737778.db2.gz	SAZPBWLXQBHUIT-IBGZPJMESA-N	1	0	373.497	1.866	20	30		FDEDRO
C=CCC[C@H](NC(=O)C(=O)NCCC[N@@H+](C)CCOC)c1ccccc1	ZINC000284300811	999801887	/nfs/dbraw/zinc/80/18/87/999801887.db2.gz	UZYIELUDGQKVMJ-SFHVURJKSA-N	1	0	361.486	1.895	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1	ZINC000285705493	999919276	/nfs/dbraw/zinc/91/92/76/999919276.db2.gz	GTRIXIZBMVZQJR-LJQANCHMSA-N	1	0	355.482	1.868	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2OCCN(C(=O)CCCC(=O)Nc3ccccc3C#N)[C@@H]2C1	ZINC000285904397	999924231	/nfs/dbraw/zinc/92/42/31/999924231.db2.gz	SYQSHDSJFIRGMJ-MSOLQXFVSA-N	1	0	370.453	1.599	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(CCO)[C@H]2CCc3ccccc32)CC1	ZINC000286422681	999944266	/nfs/dbraw/zinc/94/42/66/999944266.db2.gz	FZSOUCCPBRZACA-IBGZPJMESA-N	1	0	371.481	1.261	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1	ZINC000286465793	999944631	/nfs/dbraw/zinc/94/46/31/999944631.db2.gz	ZLCFZNIXWPCZSI-AYHJJNSGSA-N	1	0	369.465	1.512	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)CC1	ZINC000286698253	999946372	/nfs/dbraw/zinc/94/63/72/999946372.db2.gz	PTHAKDAADXZLGF-RDJZCZTQSA-N	1	0	359.474	1.059	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)Oc2cccc(C)c2)CC1	ZINC000286828933	999951808	/nfs/dbraw/zinc/95/18/08/999951808.db2.gz	XBXKKGVKMUAPHS-MRXNPFEDSA-N	1	0	359.470	1.645	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(Cc2ccccc2)C[C@@H](O)CC)CC1	ZINC000286840768	999952761	/nfs/dbraw/zinc/95/27/61/999952761.db2.gz	YCSQGSQFELMOCI-IBGZPJMESA-N	1	0	373.497	1.553	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](COC)c2ccc(CC)o2)CC1	ZINC000286855321	999952862	/nfs/dbraw/zinc/95/28/62/999952862.db2.gz	ZCSGXKAOYWFBOE-INIZCTEOSA-N	1	0	363.458	1.412	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2csc(-c3ccco3)n2)CC1	ZINC000286853392	999952987	/nfs/dbraw/zinc/95/29/87/999952987.db2.gz	ZBNVGAMNEZXUDR-UHFFFAOYSA-N	1	0	374.466	1.786	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1cc2n(n1)CCCC2)C(C)C	ZINC000287244824	999955864	/nfs/dbraw/zinc/95/58/64/999955864.db2.gz	ABQYORVVXJPJSR-KRWDZBQOSA-N	1	0	373.501	1.973	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000287290670	999956234	/nfs/dbraw/zinc/95/62/34/999956234.db2.gz	KBDLONHFEYBMPR-DOTOQJQBSA-N	1	0	359.470	1.809	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1	ZINC000287358800	999956840	/nfs/dbraw/zinc/95/68/40/999956840.db2.gz	NJDRYJLHRZODSV-WDSOQIARSA-N	1	0	373.497	1.721	20	30		FDEDRO
N#CCCN(C(=O)C[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1)c1ccccc1	ZINC000287439640	999957987	/nfs/dbraw/zinc/95/79/87/999957987.db2.gz	QAIYBSKZTYWMRA-QGZVFWFLSA-N	1	0	354.454	1.878	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1	ZINC000287534531	999958367	/nfs/dbraw/zinc/95/83/67/999958367.db2.gz	XSHZKXTXNPYQRQ-KRWDZBQOSA-N	1	0	373.497	1.962	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1	ZINC000287529335	999958390	/nfs/dbraw/zinc/95/83/90/999958390.db2.gz	XLFKQXVLGQHWRW-QGZVFWFLSA-N	1	0	371.481	1.812	20	30		FDEDRO
C#CCNc1nc(NC[C@@H]2CC[C@H](O)C2)[nH+]c(NC[C@@H]2CC[C@H](O)C2)n1	ZINC000287753258	999959623	/nfs/dbraw/zinc/95/96/23/999959623.db2.gz	MTBBRWNHMQVSJM-KBXIAJHMSA-N	1	0	360.462	1.063	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1	ZINC000287930952	999973821	/nfs/dbraw/zinc/97/38/21/999973821.db2.gz	PMHQTDJISALTNA-HNNXBMFYSA-N	1	0	356.470	1.894	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1	ZINC000288439460	1000017107	/nfs/dbraw/zinc/01/71/07/1000017107.db2.gz	NYJMXMIICQQGSH-XWSJACJDSA-N	1	0	371.481	1.645	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C	ZINC000289147461	1000077510	/nfs/dbraw/zinc/07/75/10/1000077510.db2.gz	MSBXVCJXNQCLTE-HNAYVOBHSA-N	1	0	366.465	1.672	20	30		FDEDRO
CO/N=C/C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1	ZINC000290456808	1000138649	/nfs/dbraw/zinc/13/86/49/1000138649.db2.gz	TXDSDAKOJZUZLX-KGENOOAVSA-N	1	0	353.426	1.975	20	30		FDEDRO
CO[C@H]1COC[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000290867156	1000162438	/nfs/dbraw/zinc/16/24/38/1000162438.db2.gz	DOIYELVAGJWLAE-ROUUACIJSA-N	1	0	358.442	1.189	20	30		FDEDRO
C[NH+](C)C[C@@H]1NC(=O)N(c2ccc3c(c2)CCC(=O)N3CCCC#N)C1=O	ZINC000927211374	1000708495	/nfs/dbraw/zinc/70/84/95/1000708495.db2.gz	BWTVZAZYOPVSPY-HNNXBMFYSA-N	1	0	369.425	1.256	20	30		FDEDRO
CCOCCOCCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000927526189	1000889817	/nfs/dbraw/zinc/88/98/17/1000889817.db2.gz	FTPQYWBAOWIHIB-UHFFFAOYSA-N	1	0	374.485	1.829	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N(CCC)[C@@H]3CC[NH2+]C3)cc21	ZINC000927792272	1001049915	/nfs/dbraw/zinc/04/99/15/1001049915.db2.gz	GOYUQPVHKJKVTM-MRXNPFEDSA-N	1	0	355.442	1.761	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1	ZINC000927844784	1001104545	/nfs/dbraw/zinc/10/45/45/1001104545.db2.gz	IHHAXIMGOQAYGG-RYUDHWBXSA-N	1	0	354.332	1.543	20	30		FDEDRO
CC1(C)CN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C[C@H]1[NH3+]	ZINC000927852813	1001123808	/nfs/dbraw/zinc/12/38/08/1001123808.db2.gz	RIJXPECIACPELE-GFCCVEGCSA-N	1	0	365.231	1.455	20	30		FDEDRO
N#Cc1ccc(CCC(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)cc1	ZINC000927861193	1001139000	/nfs/dbraw/zinc/13/90/00/1001139000.db2.gz	KTSIHVXNCGJMGG-UHFFFAOYSA-N	1	0	355.438	1.777	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccccc2CSc2nc[nH]n2)CC1	ZINC000928654772	1001611196	/nfs/dbraw/zinc/61/11/96/1001611196.db2.gz	CPBVKOGSEQIKLL-UHFFFAOYSA-N	1	0	355.467	1.924	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2nnn(-c3cccc4cnccc43)c2C)CC1	ZINC000928655778	1001611975	/nfs/dbraw/zinc/61/19/75/1001611975.db2.gz	YGXYRLIMMAFRRC-UHFFFAOYSA-N	1	0	374.448	1.951	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1	ZINC000928656846	1001612479	/nfs/dbraw/zinc/61/24/79/1001612479.db2.gz	FGWBGFHRMYXQNJ-KRWDZBQOSA-N	1	0	359.857	1.907	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccc(F)c2)CC1	ZINC000928660498	1001615790	/nfs/dbraw/zinc/61/57/90/1001615790.db2.gz	OZVRYLUXZWGWML-PKOBYXMFSA-N	1	0	357.429	1.559	20	30		FDEDRO
CC1(C)CN(C(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCO1	ZINC000929112532	1001756357	/nfs/dbraw/zinc/75/63/57/1001756357.db2.gz	YUQIYYLCZCUULF-UHFFFAOYSA-N	1	0	370.497	1.703	20	30		FDEDRO
N#Cc1ccnc(N2CC[NH+](C[C@H](O)CC[C@H](O)c3ccccc3)CC2)c1	ZINC000929267948	1001880722	/nfs/dbraw/zinc/88/07/22/1001880722.db2.gz	BMFKRUSVDAKTBE-UXHICEINSA-N	1	0	366.465	1.950	20	30		FDEDRO
C#CCN(C(=O)C(=O)NC[C@H]1CCCc2ccccc21)C1CC[NH+](C)CC1	ZINC000929501204	1002128863	/nfs/dbraw/zinc/12/88/63/1002128863.db2.gz	JGLLOQJHHTXLAQ-GOSISDBHSA-N	1	0	367.493	1.779	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1	ZINC000189161231	1002232049	/nfs/dbraw/zinc/23/20/49/1002232049.db2.gz	SMXISYKEJPIQLG-MRXNPFEDSA-N	1	0	371.485	1.775	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)c1c[nH+]ccc1N(C)C	ZINC000948579721	1002466755	/nfs/dbraw/zinc/46/67/55/1002466755.db2.gz	GCGUYNKKZKLHLD-MLGOLLRUSA-N	1	0	366.425	1.238	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H]1CCCc2sccc21)C1CC[NH+](C)CC1	ZINC000929950228	1002635225	/nfs/dbraw/zinc/63/52/25/1002635225.db2.gz	GVLRNGPUPZTLBM-INIZCTEOSA-N	1	0	359.495	1.798	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)C2CCOCC2)CC1	ZINC000930006032	1002728620	/nfs/dbraw/zinc/72/86/20/1002728620.db2.gz	AUNMWTZGHGFYMQ-UHFFFAOYSA-N	1	0	351.491	1.322	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[NH+]2CCN(Cc3nnc(C)[nH]3)CC2)cc1	ZINC000930072785	1002787268	/nfs/dbraw/zinc/78/72/68/1002787268.db2.gz	GOKJLNIYHQKQEK-UHFFFAOYSA-N	1	0	352.442	1.241	20	30		FDEDRO
CN1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC[N@H+](C)CC1	ZINC000930179958	1002910828	/nfs/dbraw/zinc/91/08/28/1002910828.db2.gz	KORPRXHKILDZPQ-UHFFFAOYSA-N	1	0	367.400	1.871	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCNC(C)=O	ZINC001110984330	1002966878	/nfs/dbraw/zinc/96/68/78/1002966878.db2.gz	DHQPNYIJFWTSCW-VXNCWWDNSA-N	1	0	351.491	1.463	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)Nc1ccc(OC)c(N2CCOC2=O)c1	ZINC000930255299	1002973071	/nfs/dbraw/zinc/97/30/71/1002973071.db2.gz	GOBDJZNGMOSQHK-UHFFFAOYSA-N	1	0	360.414	1.728	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C	ZINC000949203539	1003092715	/nfs/dbraw/zinc/09/27/15/1003092715.db2.gz	UUHAGMAXXYOFSY-VQIMIIECSA-N	1	0	353.466	1.269	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2cccc(S(=O)(=O)NC)c2C)CC1	ZINC000930432714	1003122659	/nfs/dbraw/zinc/12/26/59/1003122659.db2.gz	SVJHCBYIHGPIPF-UHFFFAOYSA-N	1	0	364.471	1.122	20	30		FDEDRO
CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2cncc(C#N)c2)CC1	ZINC000930498143	1003210172	/nfs/dbraw/zinc/21/01/72/1003210172.db2.gz	WHBRANLPJZSKST-AWEZNQCLSA-N	1	0	350.488	1.835	20	30		FDEDRO
COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)NCC#CC[NH+](C)C)c1	ZINC000930538236	1003249893	/nfs/dbraw/zinc/24/98/93/1003249893.db2.gz	MNZHRDLPPWSETI-UHFFFAOYSA-N	1	0	369.425	1.654	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CNC(=O)C23CC[NH+](CC2)C3)CC1	ZINC000949504365	1003415836	/nfs/dbraw/zinc/41/58/36/1003415836.db2.gz	RDTWQCNLRUKAQT-SJORKVTESA-N	1	0	361.486	1.028	20	30		FDEDRO
C#CC[C@@H]1CCC[N@@H+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1	ZINC000930816695	1003540258	/nfs/dbraw/zinc/54/02/58/1003540258.db2.gz	NZGCGAHHKFUQMZ-CVEARBPZSA-N	1	0	356.532	1.723	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ocnc1CC)C2	ZINC001111000708	1003644217	/nfs/dbraw/zinc/64/42/17/1003644217.db2.gz	RDKOMWIUVOMBIM-OIISXLGYSA-N	1	0	374.485	1.997	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c1	ZINC000930945286	1003692514	/nfs/dbraw/zinc/69/25/14/1003692514.db2.gz	KVYZDDASPJFZFP-MRXNPFEDSA-N	1	0	362.495	1.944	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](O)COCC(C)C)cn1	ZINC001111295636	1003724984	/nfs/dbraw/zinc/72/49/84/1003724984.db2.gz	XUXDHZCGLPZCHE-WTGUMLROSA-N	1	0	371.481	1.432	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)Nc1ccc2c(c1)CCN2C(=O)COC	ZINC000930980057	1003737684	/nfs/dbraw/zinc/73/76/84/1003737684.db2.gz	JFCMDAVDTGRNES-UHFFFAOYSA-N	1	0	358.442	1.299	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1cc2cc(C)ccc2o1)C1CC[NH+](C)CC1	ZINC000930986350	1003744364	/nfs/dbraw/zinc/74/43/64/1003744364.db2.gz	KKKIXGDHJNNOGC-UHFFFAOYSA-N	1	0	367.449	1.913	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(O)(Cc2ccccn2)CC1	ZINC000930988739	1003746472	/nfs/dbraw/zinc/74/64/72/1003746472.db2.gz	OTSLMSIWELOAAS-LJQANCHMSA-N	1	0	367.449	1.763	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)Cc3ccccc3)C2)CC1	ZINC000949862202	1003757256	/nfs/dbraw/zinc/75/72/56/1003757256.db2.gz	OHJQINQWESULEF-YLJYHZDGSA-N	1	0	367.493	1.537	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1	ZINC000949878741	1003770171	/nfs/dbraw/zinc/77/01/71/1003770171.db2.gz	ZXURACABKONIQE-KBRIMQKVSA-N	1	0	357.458	1.337	20	30		FDEDRO
C#CC1(O)CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccc(OC)c(OC)c2)CC1	ZINC000931143741	1003921666	/nfs/dbraw/zinc/92/16/66/1003921666.db2.gz	LQXKHEWJKRFLIK-HNNXBMFYSA-N	1	0	360.454	1.511	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1	ZINC000931606398	1004308622	/nfs/dbraw/zinc/30/86/22/1004308622.db2.gz	FKHFBFPTEOKCQF-UHFFFAOYSA-N	1	0	352.438	1.979	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)Nc2sccc2C#N)(N2CCOCC2)CC1	ZINC000931833423	1004524576	/nfs/dbraw/zinc/52/45/76/1004524576.db2.gz	DVSMITOKYCWTHT-UHFFFAOYSA-N	1	0	363.487	1.538	20	30		FDEDRO
Cn1c(Cl)cnc1-c1csc(NC(=O)NCC#CC[NH+](C)C)n1	ZINC000931895871	1004586517	/nfs/dbraw/zinc/58/65/17/1004586517.db2.gz	GKTFCRBCSBYAOJ-UHFFFAOYSA-N	1	0	352.851	1.884	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)Nc2cc(N(C)C)n3nc(C)cc3n2)C1	ZINC000931985057	1004671237	/nfs/dbraw/zinc/67/12/37/1004671237.db2.gz	ORKYQLDMGVGGLK-CQSZACIVSA-N	1	0	355.446	1.323	20	30		FDEDRO
C[C@]1(C2CC[NH+](C[C@@H](O)COc3ccccc3C#N)CC2)COC(=O)N1	ZINC000932099994	1004769790	/nfs/dbraw/zinc/76/97/90/1004769790.db2.gz	NEQRBYVUERHHJY-VQIMIIECSA-N	1	0	359.426	1.508	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2	ZINC001111028256	1004852216	/nfs/dbraw/zinc/85/22/16/1004852216.db2.gz	PUJXKHYWYRKIQC-VQHPVUNQSA-N	1	0	362.518	1.131	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C[C@@]1(C)CCS(=O)(=O)N1)C(C)C	ZINC000932706603	1005113072	/nfs/dbraw/zinc/11/30/72/1005113072.db2.gz	BGINZJXVNFIYBC-DOTOQJQBSA-N	1	0	357.520	1.273	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H](CC#N)C(F)(F)F)CC1	ZINC000932918979	1005243907	/nfs/dbraw/zinc/24/39/07/1005243907.db2.gz	XYAGDUBAHKJPHT-LBPRGKRZSA-N	1	0	363.384	1.027	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(CN2CCNC2=O)CC1	ZINC000933580698	1005582556	/nfs/dbraw/zinc/58/25/56/1005582556.db2.gz	JRKOWVCTDRMENL-QGZVFWFLSA-N	1	0	358.442	1.035	20	30		FDEDRO
CC(=O)Nc1ccc(OC[C@H](O)C[NH+]2CCC3(CC2)CC(=O)C=CO3)cc1	ZINC000933653111	1005599460	/nfs/dbraw/zinc/59/94/60/1005599460.db2.gz	QIJWOCPUZCLSTM-GOSISDBHSA-N	1	0	374.437	1.722	20	30		FDEDRO
COc1cccc(COC[C@H](O)C[NH+]2CCC3(CC2)CC(=O)C=CO3)c1	ZINC000933654582	1005599941	/nfs/dbraw/zinc/59/99/41/1005599941.db2.gz	ZBYCOJGHLDKSSY-GOSISDBHSA-N	1	0	361.438	1.910	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCC[C@H]1CCC(F)(F)C1)C1CC[NH+](C)CC1	ZINC000933805025	1005638274	/nfs/dbraw/zinc/63/82/74/1005638274.db2.gz	GALCEJZSWMXHID-CQSZACIVSA-N	1	0	355.429	1.484	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(C)CC[N@H+](C)CC1	ZINC000933994269	1005674751	/nfs/dbraw/zinc/67/47/51/1005674751.db2.gz	NEXSHJLPDADSJH-KRWDZBQOSA-N	1	0	364.559	1.830	20	30		FDEDRO
CCOC(=O)N1CCC([C@H](C)[NH2+]CC(=O)N(CC)C[C@@H](C)C#N)CC1	ZINC000778228267	1005709596	/nfs/dbraw/zinc/70/95/96/1005709596.db2.gz	XPZGXMYWRDGEPO-GJZGRUSLSA-N	1	0	352.479	1.841	20	30		FDEDRO
N#Cc1ccc(NC(=O)CN2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cc1Cl	ZINC000934258999	1005723424	/nfs/dbraw/zinc/72/34/24/1005723424.db2.gz	CVBZIWBBVBLDBV-SJORKVTESA-N	1	0	362.861	1.681	20	30		FDEDRO
Cc1sc(NC(=O)CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c(C#N)c1C	ZINC000934261736	1005724517	/nfs/dbraw/zinc/72/45/17/1005724517.db2.gz	GJBUITSIJIOHSR-JKSUJKDBSA-N	1	0	362.499	1.706	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H]3CCOC34CCOCC4)C2=O)cc1	ZINC000934404368	1005741133	/nfs/dbraw/zinc/74/11/33/1005741133.db2.gz	RFTVSUGRONNTJM-MSOLQXFVSA-N	1	0	355.438	1.981	20	30		FDEDRO
C=CCn1c(C)cc(C(=O)Cn2cc(CCN3CCC([NH3+])CC3)nn2)c1C	ZINC000640800506	1006654614	/nfs/dbraw/zinc/65/46/14/1006654614.db2.gz	QADLVVVBALRJHL-UHFFFAOYSA-N	1	0	370.501	1.731	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)C23CCC[NH+]2CCC3)C1	ZINC000954392239	1006680765	/nfs/dbraw/zinc/68/07/65/1006680765.db2.gz	LBCKAANXZNLKBF-IRXDYDNUSA-N	1	0	361.486	1.265	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)CC[NH+]2CCCCC2)C1	ZINC000954403926	1006718528	/nfs/dbraw/zinc/71/85/28/1006718528.db2.gz	GNEFQTIFWXLBAK-MSOLQXFVSA-N	1	0	363.502	1.513	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)CC2CC[NH+](C)CC2)C1	ZINC000954405102	1006723121	/nfs/dbraw/zinc/72/31/21/1006723121.db2.gz	UZGUVBGLXJGAHO-MSOLQXFVSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000954410771	1006744647	/nfs/dbraw/zinc/74/46/47/1006744647.db2.gz	ZGCFTECIEVOXRI-DNVCBOLYSA-N	1	0	371.481	1.874	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CCC[N@H+]2CCC)C1	ZINC000954493005	1006815126	/nfs/dbraw/zinc/81/51/26/1006815126.db2.gz	WYZHPCYDKWPIAF-KSZLIROESA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1	ZINC000954704984	1006971787	/nfs/dbraw/zinc/97/17/87/1006971787.db2.gz	GQPLSEPIXFRLHV-BZSNNMDCSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1	ZINC000954787926	1007024992	/nfs/dbraw/zinc/02/49/92/1007024992.db2.gz	KNUWOTRWALTICV-JQHSSLGASA-N	1	0	363.502	1.511	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000641665868	1007088199	/nfs/dbraw/zinc/08/81/99/1007088199.db2.gz	PELHJKFKCFETMH-GOSISDBHSA-N	1	0	373.497	1.778	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1	ZINC000778978538	1007093595	/nfs/dbraw/zinc/09/35/95/1007093595.db2.gz	PXPKDUIYFPPZRE-CHWSQXEVSA-N	1	0	354.451	1.233	20	30		FDEDRO
C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC000956989881	1007457448	/nfs/dbraw/zinc/45/74/48/1007457448.db2.gz	QKWNXTBFHHEISM-CZUORRHYSA-N	1	0	355.442	1.091	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000957012636	1007522261	/nfs/dbraw/zinc/52/22/61/1007522261.db2.gz	LZVJBLXGUIOURB-PERKRYKHSA-N	1	0	367.493	1.658	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000957013376	1007526457	/nfs/dbraw/zinc/52/64/57/1007526457.db2.gz	ABJVRRSECUQAMJ-JXXFODFXSA-N	1	0	358.486	1.735	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]2C)cc1	ZINC000957105858	1007727558	/nfs/dbraw/zinc/72/75/58/1007727558.db2.gz	ZZMAXMRIHLAQOF-LZQZEXGQSA-N	1	0	371.481	1.616	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1	ZINC000956500862	1008183731	/nfs/dbraw/zinc/18/37/31/1008183731.db2.gz	KDIIOSPVRIQLDL-ZACQAIPSSA-N	1	0	363.502	1.559	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)nc1	ZINC000957457243	1008308504	/nfs/dbraw/zinc/30/85/04/1008308504.db2.gz	MMEHUKPTCNDJGF-ZTFGCOKTSA-N	1	0	354.454	1.124	20	30		FDEDRO
C[NH+]=C(NCCc1ccccc1OC(F)(F)F)NCCN1CCOCC1	ZINC000305011071	1008558221	/nfs/dbraw/zinc/55/82/21/1008558221.db2.gz	KNEWLVCAARCYNY-UHFFFAOYSA-N	1	0	374.407	1.625	20	30		FDEDRO
C=CCN1CC[C@@H](N2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[N@@H+](C)CCC)C3)C1=O	ZINC001111307835	1008887063	/nfs/dbraw/zinc/88/70/63/1008887063.db2.gz	ZYUCOAZCPWETSQ-ZJPYXAASSA-N	1	0	362.518	1.227	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3CCC)C[C@H]2C)CC1	ZINC000958648302	1008897414	/nfs/dbraw/zinc/89/74/14/1008897414.db2.gz	FMNMXQMFRIPJFV-NXWXRZEISA-N	1	0	359.514	1.731	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2ccc(C)o2)C1	ZINC000950648567	1009468574	/nfs/dbraw/zinc/46/85/74/1009468574.db2.gz	RAOPDDQUYUEUHJ-OLMNPRSZSA-N	1	0	357.454	1.191	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	ZINC001114858481	1009546588	/nfs/dbraw/zinc/54/65/88/1009546588.db2.gz	BFNNSQGNSOFWEC-VMENWCDDSA-N	1	0	361.486	1.025	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2CC[C@@H](C(N)=O)O2)cc1	ZINC000960131070	1009562446	/nfs/dbraw/zinc/56/24/46/1009562446.db2.gz	NCGMKXHRCJDBES-OKZBNKHCSA-N	1	0	370.453	1.062	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(OC)nn1	ZINC000960135293	1009570766	/nfs/dbraw/zinc/57/07/66/1009570766.db2.gz	HZJSPEREAUTQKD-BBWFWOEESA-N	1	0	360.458	1.547	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2C(N)=O)c(F)c1	ZINC000960138118	1009580019	/nfs/dbraw/zinc/58/00/19/1009580019.db2.gz	USRQHTZDXNRWAI-XHSDSOJGSA-N	1	0	358.417	1.289	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCN(C)C(=O)OC(C)(C)C)CC1	ZINC000303971313	1009782928	/nfs/dbraw/zinc/78/29/28/1009782928.db2.gz	DIQMYZTYYJXVGX-UHFFFAOYSA-N	1	0	371.482	1.379	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)CCN1CC[NH2+]CC1	ZINC000647835733	1009948636	/nfs/dbraw/zinc/94/86/36/1009948636.db2.gz	LRVLMXVQKZWMKS-MRXNPFEDSA-N	1	0	350.532	1.488	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000950958100	1010122911	/nfs/dbraw/zinc/12/29/11/1010122911.db2.gz	MVWNRKWARQFMPY-GBESFXJTSA-N	1	0	357.498	1.485	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000950994129	1010259481	/nfs/dbraw/zinc/25/94/81/1010259481.db2.gz	VEQXCAUHYBRLOY-BHYGNILZSA-N	1	0	357.458	1.337	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@H]2C)cc1	ZINC000959653225	1010350731	/nfs/dbraw/zinc/35/07/31/1010350731.db2.gz	LGOZIDDGIDOUNQ-GPMSIDNRSA-N	1	0	353.466	1.729	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC000959655889	1010376425	/nfs/dbraw/zinc/37/64/25/1010376425.db2.gz	HFXCPAWDUPPTMY-CZUORRHYSA-N	1	0	357.458	1.195	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1	ZINC000951113284	1010468152	/nfs/dbraw/zinc/46/81/52/1010468152.db2.gz	VPTHVXSMCRNPGC-SJLPKXTDSA-N	1	0	371.481	1.924	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1	ZINC000951153120	1010521681	/nfs/dbraw/zinc/52/16/81/1010521681.db2.gz	FSZKJDVLSCXJOV-AYBZRNKSSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@H]2OCCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]2C1	ZINC000960668332	1010570422	/nfs/dbraw/zinc/57/04/22/1010570422.db2.gz	WCVGUWMJGIANEO-HRCADAONSA-N	1	0	351.491	1.367	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(C#N)cc1	ZINC000960685134	1010599747	/nfs/dbraw/zinc/59/97/47/1010599747.db2.gz	QYISDVIGCUGBKB-IPELMVKDSA-N	1	0	357.454	1.785	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)nc1	ZINC000951377988	1010800872	/nfs/dbraw/zinc/80/08/72/1010800872.db2.gz	LFJDORRLASZYRU-SOLBZPMBSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=C1CCC(C(=O)N2CCO[C@@H]3CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]32)CC1	ZINC000960895845	1011642146	/nfs/dbraw/zinc/64/21/46/1011642146.db2.gz	RNIPUDYCZTYTBO-FGTMMUONSA-N	1	0	363.502	1.511	20	30		FDEDRO
C#CCN1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CC1	ZINC000796427146	1011848661	/nfs/dbraw/zinc/84/86/61/1011848661.db2.gz	AZPPGJWLCZOXTN-GOSISDBHSA-N	1	0	361.436	1.921	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2CC)CC1	ZINC000952607340	1011861447	/nfs/dbraw/zinc/86/14/47/1011861447.db2.gz	BVBMGEVCTUBPEU-RSPOEFSDSA-N	1	0	371.525	1.970	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCn2nc(C)nc2C)cc1	ZINC001095854281	1011892182	/nfs/dbraw/zinc/89/21/82/1011892182.db2.gz	VCPLPNSBVWAVEH-AABGKKOBSA-N	1	0	363.465	1.912	20	30		FDEDRO
Cn1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccccc2C#N)c[nH]c1=O	ZINC001095871259	1012018446	/nfs/dbraw/zinc/01/84/46/1012018446.db2.gz	DQIRYGCALCHGNH-PMPSAXMXSA-N	1	0	351.410	1.533	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1	ZINC000636056817	1012699956	/nfs/dbraw/zinc/69/99/56/1012699956.db2.gz	ZYCOXDRDKPNIGH-YOEHRIQHSA-N	1	0	358.442	1.624	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4C[C@H]4CCC)C[C@@H]3C2)CC1	ZINC000961737628	1012779199	/nfs/dbraw/zinc/77/91/99/1012779199.db2.gz	LGEZXJPWGNPDDS-YSTOQKLRSA-N	1	0	371.525	1.685	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1	ZINC000636532650	1013028956	/nfs/dbraw/zinc/02/89/56/1013028956.db2.gz	NVHHYCREEDNGJO-UHFFFAOYSA-N	1	0	358.486	1.881	20	30		FDEDRO
CCN1CCN(C(=O)[C@@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)CC1	ZINC000507833449	538923322	/nfs/dbraw/zinc/92/33/22/538923322.db2.gz	MFPRQLSAZQBVHC-QGZVFWFLSA-N	1	0	370.497	1.954	20	30		FDEDRO
CC[N@H+](CCNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CC1	ZINC000192325474	178110163	/nfs/dbraw/zinc/11/01/63/178110163.db2.gz	QZWOQLQIQIESGV-GOSISDBHSA-N	1	0	369.469	1.443	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1	ZINC000192542025	178119663	/nfs/dbraw/zinc/11/96/63/178119663.db2.gz	USYRIMKIDUIRKJ-UHFFFAOYSA-N	1	0	357.458	1.796	20	30		FDEDRO
C[C@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000192565945	178120479	/nfs/dbraw/zinc/12/04/79/178120479.db2.gz	HRETXOJZGFZLJT-AWEZNQCLSA-N	1	0	359.474	1.901	20	30		FDEDRO
CC[C@@H]1CN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1C[C@H](C)O	ZINC000245523514	178363323	/nfs/dbraw/zinc/36/33/23/178363323.db2.gz	MWXOCSZADUKDOE-ILZDJORESA-N	1	0	370.497	1.831	20	30		FDEDRO
CCC[C@@H]1CN(C[C@@H](O)COc2ccc(C#N)cc2)CC[N@@H+]1CCOC	ZINC000245897749	178386745	/nfs/dbraw/zinc/38/67/45/178386745.db2.gz	KRSQONOXEYJULI-RTBURBONSA-N	1	0	361.486	1.731	20	30		FDEDRO
CC(C)[N@@H+]1CCO[C@@H](CN2CCN(c3ncc4c(c3C#N)CCC4)CC2)C1	ZINC000516923084	539330177	/nfs/dbraw/zinc/33/01/77/539330177.db2.gz	CFNBXLHGKRBJML-SFHVURJKSA-N	1	0	369.513	1.673	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1	ZINC000517025390	539342894	/nfs/dbraw/zinc/34/28/94/539342894.db2.gz	QESBQKIMAGVFQF-JKSUJKDBSA-N	1	0	366.456	1.725	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@@H]3CC4CCC3CC4)CC2)o1	ZINC000517068243	539345961	/nfs/dbraw/zinc/34/59/61/539345961.db2.gz	HZODOBSNTBTQML-UYSNPLJNSA-N	1	0	357.458	1.672	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CC1	ZINC000517581427	539372408	/nfs/dbraw/zinc/37/24/08/539372408.db2.gz	OYITVFKZLRLDHB-UHFFFAOYSA-N	1	0	370.862	1.429	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)n1	ZINC000518180827	539399076	/nfs/dbraw/zinc/39/90/76/539399076.db2.gz	SSDMNBAYWZQWSB-QGZVFWFLSA-N	1	0	363.421	1.845	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](NC(=O)N(C3CC3)[C@@H]3CC[NH2+]C3)C2=O)cc1	ZINC000521986667	539525419	/nfs/dbraw/zinc/52/54/19/539525419.db2.gz	MTVGWICFDUAXOF-QZTJIDSGSA-N	1	0	367.453	1.195	20	30		FDEDRO
COCC[N@H+](C)CCNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000264040443	179019071	/nfs/dbraw/zinc/01/90/71/179019071.db2.gz	FXMKZQYZLABOKW-UHFFFAOYSA-N	1	0	360.458	1.689	20	30		FDEDRO
CN(C1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1)S(C)(=O)=O	ZINC000264231307	179055319	/nfs/dbraw/zinc/05/53/19/179055319.db2.gz	RNLFHHHSFGLTSC-UHFFFAOYSA-N	1	0	364.471	1.243	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1	ZINC000264381524	179092873	/nfs/dbraw/zinc/09/28/73/179092873.db2.gz	FIXXBURDANMTJW-IEBWSBKVSA-N	1	0	370.497	1.954	20	30		FDEDRO
COC(=O)[C@@H]1CC12CC[NH+]([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)CC2	ZINC000265055209	179276107	/nfs/dbraw/zinc/27/61/07/179276107.db2.gz	MDPCPKBKJBAUJS-DLBZAZTESA-N	1	0	353.422	1.939	20	30		FDEDRO
CC[C@@H](C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[NH+](C)C	ZINC000268750222	180152404	/nfs/dbraw/zinc/15/24/04/180152404.db2.gz	UUDXFEJTLKYZQZ-AWEZNQCLSA-N	1	0	357.414	1.795	20	30		FDEDRO
CCOC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)cc1C#N	ZINC000269792435	180390459	/nfs/dbraw/zinc/39/04/59/180390459.db2.gz	HJXRVDVTLAQURA-NSHDSACASA-N	1	0	361.402	1.131	20	30		FDEDRO
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCCC[NH+]2CCCCCC2)n1	ZINC000271566354	180622627	/nfs/dbraw/zinc/62/26/27/180622627.db2.gz	OBOOFIGURSXFEZ-UHFFFAOYSA-N	1	0	374.489	1.831	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]C1CCN(Cc2ccccn2)CC1	ZINC000530232374	539916415	/nfs/dbraw/zinc/91/64/15/539916415.db2.gz	ZDHXTPJATMGAAP-HXUWFJFHSA-N	1	0	366.465	1.947	20	30		FDEDRO
Cn1nccc1N1CCC[C@H]([NH2+]C[C@H](O)COc2ccccc2C#N)C1	ZINC000530234632	539916438	/nfs/dbraw/zinc/91/64/38/539916438.db2.gz	SBGGMIJJSLZHSP-IRXDYDNUSA-N	1	0	355.442	1.290	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)CNc1cccc(C[N@@H+]2CC[C@H](O)C2)c1	ZINC000530237703	539917311	/nfs/dbraw/zinc/91/73/11/539917311.db2.gz	IYZAAYMDNGXNJL-VQTJNVASSA-N	1	0	367.449	1.977	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]C1CCN(C(=O)c2ccco2)CC1	ZINC000530231997	539915385	/nfs/dbraw/zinc/91/53/85/539915385.db2.gz	UAEVBRYXSHQOAJ-QGZVFWFLSA-N	1	0	369.421	1.785	20	30		FDEDRO
COCCn1cc2c(n1)[C@@H]([NH2+]C[C@H](O)COc1ccccc1C#N)CCC2	ZINC000530232111	539915850	/nfs/dbraw/zinc/91/58/50/539915850.db2.gz	NFNHUYYDLOAJEE-ROUUACIJSA-N	1	0	370.453	1.808	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)NCCN2CC=CCC2)c1	ZINC000530535947	539995469	/nfs/dbraw/zinc/99/54/69/539995469.db2.gz	YDVQSESRUKUDOI-UHFFFAOYSA-N	1	0	370.272	1.861	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1ccc(CNC(=O)Cc2cccc(C#N)c2)cc1	ZINC000530914375	540068661	/nfs/dbraw/zinc/06/86/61/540068661.db2.gz	NBVOSOKLZLONBS-UHFFFAOYSA-N	1	0	364.449	1.709	20	30		FDEDRO
CS[C@H]1CN(CC(=O)NCc2ccc(C#N)cc2)C[C@H]1[NH+]1CCCC1	ZINC000275074678	181231566	/nfs/dbraw/zinc/23/15/66/181231566.db2.gz	LWYJZQBHECBTEB-MSOLQXFVSA-N	1	0	358.511	1.686	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)CN1CCC([N@@H+](C)C[C@H](C)O)CC1	ZINC000533411901	540243742	/nfs/dbraw/zinc/24/37/42/540243742.db2.gz	CQAICVXZAJUIPC-PXNSSMCTSA-N	1	0	362.514	1.932	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)n(CCC#N)n1	ZINC000533461533	540250911	/nfs/dbraw/zinc/25/09/11/540250911.db2.gz	YUYIOTBNCOSZDJ-CVEARBPZSA-N	1	0	372.473	1.517	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CCNC(=O)c2ccc(F)cc2)c1C#N	ZINC000534796321	540413468	/nfs/dbraw/zinc/41/34/68/540413468.db2.gz	CRKOEEWQYMQVLZ-UHFFFAOYSA-N	1	0	372.404	1.331	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)OCC	ZINC000535153120	540454476	/nfs/dbraw/zinc/45/44/76/540454476.db2.gz	SOOOQRWILJQVJI-JKSUJKDBSA-N	1	0	360.520	1.325	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CN2C(=O)CCc3ccccc32)c1C#N	ZINC000536301224	540576881	/nfs/dbraw/zinc/57/68/81/540576881.db2.gz	PRKJUMPMRWCRLU-UHFFFAOYSA-N	1	0	366.425	1.351	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](CN1CCOCC1)c1ccc(C)cc1	ZINC000538141492	540816174	/nfs/dbraw/zinc/81/61/74/540816174.db2.gz	PAJTZPYLVLJIHA-UYAOXDASSA-N	1	0	372.513	1.966	20	30		FDEDRO
C=CC[N@@H+](CCC(=O)N(C)CCC#N)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000538954202	540914288	/nfs/dbraw/zinc/91/42/88/540914288.db2.gz	PNMDILVBTMYZIT-INIZCTEOSA-N	1	0	367.457	1.973	20	30		FDEDRO
CN(CCC[NH+](C)C)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O	ZINC000539416325	540957420	/nfs/dbraw/zinc/95/74/20/540957420.db2.gz	HBJFWRUTJJXQLV-MRXNPFEDSA-N	1	0	371.441	1.173	20	30		FDEDRO
C[C@H]1C[N@H+](C)CCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000540547930	541073140	/nfs/dbraw/zinc/07/31/40/541073140.db2.gz	SWDGXSVNPOZCSH-LPHOPBHVSA-N	1	0	373.476	1.170	20	30		FDEDRO
COCC(=O)N1CCC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1	ZINC000540594341	541078733	/nfs/dbraw/zinc/07/87/33/541078733.db2.gz	RQIRSDYQCFTDQQ-UHFFFAOYSA-N	1	0	370.497	1.750	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)ccc1F	ZINC000269240357	674107849	/nfs/dbraw/zinc/10/78/49/674107849.db2.gz	XJXSHYQCDCQLGT-JSGCOSHPSA-N	1	0	369.462	1.408	20	30		FDEDRO
CCc1ccc([C@H](CO)[NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1	ZINC000541982857	541312148	/nfs/dbraw/zinc/31/21/48/541312148.db2.gz	BJMDDLIJQJWECH-VQTJNVASSA-N	1	0	372.513	1.564	20	30		FDEDRO
COC[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C(C)C	ZINC000542526727	541420050	/nfs/dbraw/zinc/42/00/50/541420050.db2.gz	SXKCNMOHINOLRP-CVEARBPZSA-N	1	0	364.515	1.718	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CCC2)cc1C#N	ZINC000275813538	181422883	/nfs/dbraw/zinc/42/28/83/181422883.db2.gz	JSZMYDUDDIXRHN-UHFFFAOYSA-N	1	0	358.442	1.884	20	30		FDEDRO
CC[NH+](CC)CCOCCNC(=O)C(=O)Nc1ccc(C#N)cc1Cl	ZINC000543526765	541605005	/nfs/dbraw/zinc/60/50/05/541605005.db2.gz	IGECSTTYGMPFAC-UHFFFAOYSA-N	1	0	366.849	1.625	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)[C@H]1CCCOC1	ZINC000543677765	541632981	/nfs/dbraw/zinc/63/29/81/541632981.db2.gz	GNSJGAJGHOWOGI-KRWDZBQOSA-N	1	0	351.472	1.431	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)NCC1(O)CC[NH+](C(C)C)CC1	ZINC000269843542	674118184	/nfs/dbraw/zinc/11/81/84/674118184.db2.gz	QFFWQTBMZUXPEP-UHFFFAOYSA-N	1	0	351.472	1.380	20	30		FDEDRO
C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1	ZINC000545155029	541882880	/nfs/dbraw/zinc/88/28/80/541882880.db2.gz	CVAHYENTNNPXSY-IBGZPJMESA-N	1	0	355.394	1.527	20	30		FDEDRO
COCCCn1nccc1C[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000282784118	182056326	/nfs/dbraw/zinc/05/63/26/182056326.db2.gz	XWWOAUTUKYKVEE-LJQANCHMSA-N	1	0	367.453	1.682	20	30		FDEDRO
C[NH+]1CCN(CCOc2ccc(NC(=O)c3cc(C#N)ccn3)cc2)CC1	ZINC000283244397	182137835	/nfs/dbraw/zinc/13/78/35/182137835.db2.gz	CGMAFMNOOKCDDX-UHFFFAOYSA-N	1	0	365.437	1.832	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1)c1ccc(C#N)cc1	ZINC000284065243	182353612	/nfs/dbraw/zinc/35/36/12/182353612.db2.gz	QZNKVLHXONCODW-OAHLLOKOSA-N	1	0	354.454	1.822	20	30		FDEDRO
N#Cc1cccc(N2CC[NH+](C[C@H](O)COCc3ccccc3F)CC2)n1	ZINC000545504202	541990357	/nfs/dbraw/zinc/99/03/57/541990357.db2.gz	COGYYILUEDFUSI-SFHVURJKSA-N	1	0	370.428	1.792	20	30		FDEDRO
C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1	ZINC000545870288	542034201	/nfs/dbraw/zinc/03/42/01/542034201.db2.gz	REVBZZVOECZAJJ-OAHLLOKOSA-N	1	0	372.347	1.687	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](NC(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1	ZINC000545898837	542043497	/nfs/dbraw/zinc/04/34/97/542043497.db2.gz	ZFUTWHMCJVHLLJ-HNNXBMFYSA-N	1	0	353.430	2.053	20	30		FDEDRO
CC[NH+]1CCN(CC(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1	ZINC000545899759	542044457	/nfs/dbraw/zinc/04/44/57/542044457.db2.gz	UQDVPENFDHBNOZ-UHFFFAOYSA-N	1	0	353.430	1.023	20	30		FDEDRO
CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(S(=O)(=O)c2ccc(C#N)cc2C)C1	ZINC000286274013	183029080	/nfs/dbraw/zinc/02/90/80/183029080.db2.gz	GNDCHRCXCVTVQT-IRXDYDNUSA-N	1	0	363.483	1.741	20	30		FDEDRO
COCCN(CC[NH+](C)C)C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000286222039	183017765	/nfs/dbraw/zinc/01/77/65/183017765.db2.gz	SWJYNRJQAAWNNS-MRXNPFEDSA-N	1	0	362.449	1.560	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)o2)[C@@H](C)C1	ZINC000286940946	183177773	/nfs/dbraw/zinc/17/77/73/183177773.db2.gz	QIOUUBTUNWTOFI-ZFWWWQNUSA-N	1	0	355.460	1.567	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1	ZINC000546707833	542205776	/nfs/dbraw/zinc/20/57/76/542205776.db2.gz	XRQRPSAHHLRTFF-CQSZACIVSA-N	1	0	358.442	1.886	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)CC3(C#N)CCCC3)C2)CC1	ZINC000546769226	542221868	/nfs/dbraw/zinc/22/18/68/542221868.db2.gz	OUPHAJLCLGVZKZ-MRXNPFEDSA-N	1	0	354.520	1.112	20	30		FDEDRO
CC(C)C[C@H](NS(=O)(=O)CC1(C#N)CCCC1)C(=O)NCC[NH+](C)C	ZINC000546779661	542224823	/nfs/dbraw/zinc/22/48/23/542224823.db2.gz	OWSNVPXFAUIKON-HNNXBMFYSA-N	1	0	372.535	1.082	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000292062366	183860982	/nfs/dbraw/zinc/86/09/82/183860982.db2.gz	WSSQISATXITPBG-IAGOWNOFSA-N	1	0	357.458	1.848	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cn1)[C@H](c1ccccc1)[NH+](C)C	ZINC000294864880	184014793	/nfs/dbraw/zinc/01/47/93/184014793.db2.gz	TYRMLQOUSZSNIG-CXAGYDPISA-N	1	0	351.410	1.699	20	30		FDEDRO
C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cnc(C(F)(F)F)c(C#N)c1	ZINC000294698377	184001967	/nfs/dbraw/zinc/00/19/67/184001967.db2.gz	VTTZGWKKWGHUIW-NSHDSACASA-N	1	0	370.375	1.889	20	30		FDEDRO
N#Cc1cnc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1	ZINC000294993388	184025707	/nfs/dbraw/zinc/02/57/07/184025707.db2.gz	QXDQMCAJDSHRFA-MRXNPFEDSA-N	1	0	353.382	1.693	20	30		FDEDRO
C[NH+](C)[C@]1(CNS(=O)(=O)Cc2ccc(F)cc2C#N)CCSC1	ZINC000295255804	184051105	/nfs/dbraw/zinc/05/11/05/184051105.db2.gz	QVHCAHNFZHNMKJ-HNNXBMFYSA-N	1	0	357.476	1.554	20	30		FDEDRO
Cc1oc(NC(=O)[C@@H](C)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c(C#N)c1C	ZINC000295356439	184062168	/nfs/dbraw/zinc/06/21/68/184062168.db2.gz	OEBADFLUNVCEDU-ZYHUDNBSSA-N	1	0	359.386	1.651	20	30		FDEDRO
CN1CCO[C@H](CNC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)C1	ZINC000296665480	184188831	/nfs/dbraw/zinc/18/88/31/184188831.db2.gz	YBNQOCZAEOZAOO-GFCCVEGCSA-N	1	0	364.471	1.303	20	30		FDEDRO
N#Cc1ccccc1N1CCN(C(=O)NCC[N@@H+]2CCCOCC2)CC1	ZINC000297072805	184232537	/nfs/dbraw/zinc/23/25/37/184232537.db2.gz	MEPXZZAYLBKBLE-UHFFFAOYSA-N	1	0	357.458	1.112	20	30		FDEDRO
C[N@@H+]1CC[C@](O)(CNC(=O)Nc2cccc(C#Cc3ccccn3)c2)C1	ZINC000547281373	542298938	/nfs/dbraw/zinc/29/89/38/542298938.db2.gz	AQDCMIYSMWOCGY-FQEVSTJZSA-N	1	0	350.422	1.670	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1	ZINC000547415403	542334980	/nfs/dbraw/zinc/33/49/80/542334980.db2.gz	CPCHNNWSQSDBBZ-UHFFFAOYSA-N	1	0	358.442	1.886	20	30		FDEDRO
C[C@@H]1C[C@@H](C)C[NH+](CCCCNS(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000170663414	258264176	/nfs/dbraw/zinc/26/41/76/258264176.db2.gz	ABTGCGWZZVCOML-HUUCEWRRSA-N	1	0	350.488	1.990	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)C[C@H]1CCOC1	ZINC000171962537	258270405	/nfs/dbraw/zinc/27/04/05/258270405.db2.gz	REHGZYVBRHFOOH-KRWDZBQOSA-N	1	0	351.472	1.288	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCC[N@@H+](C2CC2)CC1	ZINC000172348082	258274461	/nfs/dbraw/zinc/27/44/61/258274461.db2.gz	LBSHHOJDHPWDEX-UHFFFAOYSA-N	1	0	364.453	1.853	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)NCC#Cc3cccc(F)c3)C2)CC1	ZINC000549201713	542850918	/nfs/dbraw/zinc/85/09/18/542850918.db2.gz	BPZJNNOGGFUDAR-IBGZPJMESA-N	1	0	358.461	1.599	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1	ZINC000549936049	542971372	/nfs/dbraw/zinc/97/13/72/542971372.db2.gz	JPMBBNKLEYJQGD-IRXDYDNUSA-N	1	0	359.518	1.777	20	30		FDEDRO
C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000550197964	543036326	/nfs/dbraw/zinc/03/63/26/543036326.db2.gz	XVFNAXUWLCQVSD-XHSDSOJGSA-N	1	0	368.481	1.930	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)c1	ZINC000550502852	543117162	/nfs/dbraw/zinc/11/71/62/543117162.db2.gz	UKXRNTQJLLGREU-ROUUACIJSA-N	1	0	364.467	1.242	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)C1	ZINC000550592126	543132257	/nfs/dbraw/zinc/13/22/57/543132257.db2.gz	QYOBIYAPVRAMEE-GOSISDBHSA-N	1	0	372.469	1.134	20	30		FDEDRO
C=CCCCCNC(=O)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1	ZINC000550613023	543134864	/nfs/dbraw/zinc/13/48/64/543134864.db2.gz	WQVYEGLDMIZZQX-UHFFFAOYSA-N	1	0	373.501	1.312	20	30		FDEDRO
C=CCN(CCC#N)C(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C	ZINC000550998750	543213230	/nfs/dbraw/zinc/21/32/30/543213230.db2.gz	QTPRJNSIUMUVJE-INIZCTEOSA-N	1	0	356.426	1.939	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)Oc2ccc(C)cc2)CC1	ZINC000551234576	543256706	/nfs/dbraw/zinc/25/67/06/543256706.db2.gz	ZMNNJAPSXDXMNK-MRXNPFEDSA-N	1	0	359.470	1.645	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)C)cc1	ZINC000551546994	543300769	/nfs/dbraw/zinc/30/07/69/543300769.db2.gz	UZVRGBWGYKTVBS-INIZCTEOSA-N	1	0	354.410	1.815	20	30		FDEDRO
CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccn(-c2cccc(C#N)c2)n1	ZINC000552024238	543407343	/nfs/dbraw/zinc/40/73/43/543407343.db2.gz	CBYDRRNUAQIHEQ-INIZCTEOSA-N	1	0	355.442	1.567	20	30		FDEDRO
N#Cc1ccc(OCC(=O)NCC(=O)NCC[NH+]2CCCCCC2)cc1	ZINC000552357063	543455955	/nfs/dbraw/zinc/45/59/55/543455955.db2.gz	GAWVWMOMLUUWGV-UHFFFAOYSA-N	1	0	358.442	1.045	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2nccn2C(F)F)CC1	ZINC000552463721	543471725	/nfs/dbraw/zinc/47/17/25/543471725.db2.gz	QXXRPBNQNAHVLB-UHFFFAOYSA-N	1	0	355.389	1.051	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000552472159	543473728	/nfs/dbraw/zinc/47/37/28/543473728.db2.gz	AHHWYIDTAXRVIU-QGZVFWFLSA-N	1	0	354.454	1.648	20	30		FDEDRO
CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc(C#N)cc2C)CC1	ZINC000173457057	258299910	/nfs/dbraw/zinc/29/99/10/258299910.db2.gz	MUWAOHJOQXGBEN-HNNXBMFYSA-N	1	0	364.515	1.419	20	30		FDEDRO
C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000073350385	172061385	/nfs/dbraw/zinc/06/13/85/172061385.db2.gz	OBQQSQBVTAQCEO-PXNSSMCTSA-N	1	0	370.497	1.750	20	30		FDEDRO
C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CCN1CCOCC1	ZINC000074290436	172078022	/nfs/dbraw/zinc/07/80/22/172078022.db2.gz	FMNOCAYNAITZEJ-UHFFFAOYSA-N	1	0	362.499	1.701	20	30		FDEDRO
CCN1CCN(C(=O)[C@H](C)[N@@H+]2CCCN(c3ccccc3C#N)CC2)CC1	ZINC000076969638	172119893	/nfs/dbraw/zinc/11/98/93/172119893.db2.gz	FYWZYIDKEGMYPW-SFHVURJKSA-N	1	0	369.513	1.623	20	30		FDEDRO
C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1	ZINC000091193988	172276698	/nfs/dbraw/zinc/27/66/98/172276698.db2.gz	WVWSMFZSERDOOX-CYBMUJFWSA-N	1	0	360.462	1.296	20	30		FDEDRO
C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1	ZINC000091245657	172282009	/nfs/dbraw/zinc/28/20/09/172282009.db2.gz	JHDUMPOFKBVHCK-KGLIPLIRSA-N	1	0	360.462	1.437	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N(C)Cc1cccc(C#N)c1	ZINC000102049474	172345695	/nfs/dbraw/zinc/34/56/95/172345695.db2.gz	SFWXUCHVORMWLZ-SFHVURJKSA-N	1	0	371.485	1.642	20	30		FDEDRO
C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@@H]1CCCN(c2ccccc2C#N)C1	ZINC000126197261	173032498	/nfs/dbraw/zinc/03/24/98/173032498.db2.gz	DDZYGEBBOIPDSP-APWZRJJASA-N	1	0	359.474	1.139	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[N@@H+]2CCCN(C(=O)c3ccncc3)CC2)cc1	ZINC000127090928	173064219	/nfs/dbraw/zinc/06/42/19/173064219.db2.gz	NEPNVLFYPMPMRC-LJQANCHMSA-N	1	0	350.422	1.835	20	30		FDEDRO
CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2C#N)C1	ZINC000134301865	173321796	/nfs/dbraw/zinc/32/17/96/173321796.db2.gz	FPLBHJQSDFCKKL-OAHLLOKOSA-N	1	0	364.471	1.289	20	30		FDEDRO
CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](CCCOc2cccc(C#N)c2)C1	ZINC000134334126	173323108	/nfs/dbraw/zinc/32/31/08/173323108.db2.gz	BKDRPVGCFDLWBK-QGZVFWFLSA-N	1	0	351.472	1.729	20	30		FDEDRO
CN1CCN(S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c2c[nH+]ccc21	ZINC000176977262	174098204	/nfs/dbraw/zinc/09/82/04/174098204.db2.gz	LAKUGMJQBWFDLS-UHFFFAOYSA-N	1	0	359.367	1.507	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)/C=C/c2ccccc2C#N)CC1	ZINC000178148124	174175036	/nfs/dbraw/zinc/17/50/36/174175036.db2.gz	MPQSDVAKFXXLFM-BLGFXRMMSA-N	1	0	352.438	1.336	20	30		FDEDRO
Cn1cc(C[NH2+]CCC(=O)N2CCOCC2)c(-c2ccc(C#N)cc2)n1	ZINC000180080624	258361609	/nfs/dbraw/zinc/36/16/09/258361609.db2.gz	YMUZORGKFWCUFR-UHFFFAOYSA-N	1	0	353.426	1.297	20	30		FDEDRO
CCS(=O)(=O)NCCC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000180156826	258362686	/nfs/dbraw/zinc/36/26/86/258362686.db2.gz	GDYZPTWEIMIOHU-UHFFFAOYSA-N	1	0	361.471	1.378	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1	ZINC000178016396	258327858	/nfs/dbraw/zinc/32/78/58/258327858.db2.gz	DDBRHQUXEGBXHY-LSDHHAIUSA-N	1	0	358.442	1.884	20	30		FDEDRO
C[NH+](C)CC1CCC(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1	ZINC000178725548	258333338	/nfs/dbraw/zinc/33/33/38/258333338.db2.gz	NVXCITYKGNXXKK-UHFFFAOYSA-N	1	0	370.501	1.905	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](N3CC[NH+](C[C@@H]4CCOC4)CC3)C2=O)cc1	ZINC000178821308	258336237	/nfs/dbraw/zinc/33/62/37/258336237.db2.gz	VDEORBRSXXYSEX-PKOBYXMFSA-N	1	0	354.454	1.318	20	30		FDEDRO
N#Cc1ccc(NC(=O)CN2CC[NH+](C[C@H]3CCOC3)CC2)cc1Cl	ZINC000178831001	258336816	/nfs/dbraw/zinc/33/68/16/258336816.db2.gz	SCYSVKQEOQVHEV-CQSZACIVSA-N	1	0	362.861	1.804	20	30		FDEDRO
Cc1nc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)ccc1C#N	ZINC000183439568	258379394	/nfs/dbraw/zinc/37/93/94/258379394.db2.gz	BKURMPSINLLAAD-SFHVURJKSA-N	1	0	350.422	1.758	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1	ZINC000553210926	543588320	/nfs/dbraw/zinc/58/83/20/543588320.db2.gz	WMNVYLWNWWXZOY-UHFFFAOYSA-N	1	0	361.442	1.463	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCO[C@@H](C(CC)CC)C2)CC1	ZINC000553330303	543610554	/nfs/dbraw/zinc/61/05/54/543610554.db2.gz	DXPSEYMVIIAIAE-QZTJIDSGSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(CCOC)[C@@H]2CC[C@H](C)C2)CC1	ZINC000553671771	543678565	/nfs/dbraw/zinc/67/85/65/543678565.db2.gz	ZNVJWUXIOXDGRQ-DOTOQJQBSA-N	1	0	351.491	1.417	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)n1	ZINC000553970340	543726296	/nfs/dbraw/zinc/72/62/96/543726296.db2.gz	STSVZZRNZQNHEO-UHFFFAOYSA-N	1	0	359.478	1.447	20	30		FDEDRO
N#CCNC(=O)CNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1	ZINC000553827115	543701878	/nfs/dbraw/zinc/70/18/78/543701878.db2.gz	SYJMIFTYOANPPU-UHFFFAOYSA-N	1	0	357.458	1.502	20	30		FDEDRO
Cc1nnc2n1C[C@H](C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)CC2	ZINC000554797853	543873047	/nfs/dbraw/zinc/87/30/47/543873047.db2.gz	AHPDRVHNYAMAQG-HNNXBMFYSA-N	1	0	359.455	1.084	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1	ZINC000556086271	544092282	/nfs/dbraw/zinc/09/22/82/544092282.db2.gz	BQTCFMFFMCQPRM-UHFFFAOYSA-N	1	0	373.497	1.648	20	30		FDEDRO
N#Cc1ccsc1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000556160211	544107905	/nfs/dbraw/zinc/10/79/05/544107905.db2.gz	ZBGAFXUVFLDYDO-UONOGXRCSA-N	1	0	362.455	1.052	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000557016454	544235177	/nfs/dbraw/zinc/23/51/77/544235177.db2.gz	BEDKFEDMYUAXRP-LSDHHAIUSA-N	1	0	353.532	1.791	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1	ZINC000557016541	544235256	/nfs/dbraw/zinc/23/52/56/544235256.db2.gz	AMYHXWJOTGBXRL-INIZCTEOSA-N	1	0	353.532	1.935	20	30		FDEDRO
CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCCCCC#N	ZINC000557704687	544334024	/nfs/dbraw/zinc/33/40/24/544334024.db2.gz	ZUHNXWDWMHCBCO-GOSISDBHSA-N	1	0	356.470	1.777	20	30		FDEDRO
CSC1(CNC(=O)C(=O)Nc2ccc(F)cc2C#N)CC[NH+](C)CC1	ZINC000558539667	544460850	/nfs/dbraw/zinc/46/08/50/544460850.db2.gz	NTABQURECPIGSK-UHFFFAOYSA-N	1	0	364.446	1.579	20	30		FDEDRO
COCC(=O)Nc1cccc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)c1	ZINC000559273533	544622660	/nfs/dbraw/zinc/62/26/60/544622660.db2.gz	SLKYSVDVXADNAU-UHFFFAOYSA-N	1	0	350.382	1.476	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1O)C(C)C	ZINC000559867143	544826546	/nfs/dbraw/zinc/82/65/46/544826546.db2.gz	KDNVJNLOVPBMCU-FGTMMUONSA-N	1	0	365.518	1.563	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000299564661	259006498	/nfs/dbraw/zinc/00/64/98/259006498.db2.gz	SSTRKUQBEWRXFB-QGZVFWFLSA-N	1	0	352.442	1.469	20	30		FDEDRO
CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000299666500	259014707	/nfs/dbraw/zinc/01/47/07/259014707.db2.gz	SWKBDMXPCASYIA-GFCCVEGCSA-N	1	0	357.414	1.053	20	30		FDEDRO
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)COc2ccc(C#N)cc2)CC1	ZINC000299672258	259015132	/nfs/dbraw/zinc/01/51/32/259015132.db2.gz	YXHABQMLXPSVRL-QZTJIDSGSA-N	1	0	370.497	1.954	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)cc1	ZINC000972084158	782029500	/nfs/dbraw/zinc/02/95/00/782029500.db2.gz	ZWJOTEAXXCSEBC-WOJBJXKFSA-N	1	0	365.477	1.835	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C[C@@H]1[NH+](C)C	ZINC000330601573	259153071	/nfs/dbraw/zinc/15/30/71/259153071.db2.gz	ZODRUEJGWRUSOQ-STQMWFEESA-N	1	0	370.456	1.133	20	30		FDEDRO
C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2ncc(C#N)cc2Cl)CC1	ZINC000330641700	259155335	/nfs/dbraw/zinc/15/53/35/259155335.db2.gz	QSSUOGFCFVFTRV-GFCCVEGCSA-N	1	0	350.850	1.771	20	30		FDEDRO
Cc1cc(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c(C#N)cc1N(C)C	ZINC000331249387	259183198	/nfs/dbraw/zinc/18/31/98/259183198.db2.gz	YENWUSYLILCKLQ-CABCVRRESA-N	1	0	359.474	1.852	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000332096928	259241059	/nfs/dbraw/zinc/24/10/59/259241059.db2.gz	PUXMXSZEQBVCBX-BLLLJJGKSA-N	1	0	354.458	1.749	20	30		FDEDRO
Cc1onc(CC(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C#N	ZINC000332260721	259253008	/nfs/dbraw/zinc/25/30/08/259253008.db2.gz	GFCLLNWGQMLGMP-OKILXGFUSA-N	1	0	360.458	1.745	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(CCN3CCCS3(=O)=O)CC2)cc1	ZINC000333231412	259325031	/nfs/dbraw/zinc/32/50/31/259325031.db2.gz	URCAAGFUYZEPOD-UHFFFAOYSA-N	1	0	362.499	1.101	20	30		FDEDRO
COc1cc(C[NH2+]C2CCN(C(=O)c3cnccn3)CC2)ccc1C#N	ZINC000366927819	259979503	/nfs/dbraw/zinc/97/95/03/259979503.db2.gz	MUALBCZHLMDZIU-UHFFFAOYSA-N	1	0	351.410	1.751	20	30		FDEDRO
COC(=O)[C@]12CCC[C@@H]1C[N@@H+]([C@@H]1CC(=O)N(c3ccc(C#N)cc3)C1=O)C2	ZINC000368078025	260132273	/nfs/dbraw/zinc/13/22/73/260132273.db2.gz	XGVNZOPYVVALFL-KKVAFCGZSA-N	1	0	367.405	1.465	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CC1	ZINC000368904261	260257952	/nfs/dbraw/zinc/25/79/52/260257952.db2.gz	JATXASJBRRITSQ-AEFFLSMTSA-N	1	0	351.410	1.840	20	30		FDEDRO
C[C@H](CO)[N@@H+]1CCCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000368973142	260270579	/nfs/dbraw/zinc/27/05/79/260270579.db2.gz	IMCIJFUSDJKOIM-CQSZACIVSA-N	1	0	364.877	1.929	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@H]1CCCCC(=O)N1	ZINC000369159018	260304909	/nfs/dbraw/zinc/30/49/09/260304909.db2.gz	WDGUCDNYSIQLMW-GOSISDBHSA-N	1	0	356.470	1.897	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000369276075	260331180	/nfs/dbraw/zinc/33/11/80/260331180.db2.gz	FGELPOLXTNKONJ-WBVHZDCISA-N	1	0	356.470	1.610	20	30		FDEDRO
Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc(C#N)cc2)n1	ZINC000369283355	260333135	/nfs/dbraw/zinc/33/31/35/260333135.db2.gz	NDTLUDZTOLBMCC-ZWKOTPCHSA-N	1	0	355.442	1.671	20	30		FDEDRO
N#Cc1ncn(C2CC[NH+](CCC(=O)NC(=O)Nc3ccccc3)CC2)n1	ZINC000369389794	260356030	/nfs/dbraw/zinc/35/60/30/260356030.db2.gz	SNPDMZVTLDJUBM-UHFFFAOYSA-N	1	0	367.413	1.525	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1	ZINC000372953564	260956701	/nfs/dbraw/zinc/95/67/01/260956701.db2.gz	TUKYXVXIDQYJAC-GJZGRUSLSA-N	1	0	356.426	1.638	20	30		FDEDRO
Cc1ccccc1CN(C)C(=O)C[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000373400210	261007476	/nfs/dbraw/zinc/00/74/76/261007476.db2.gz	OYAZYIMYDZNJSB-UHFFFAOYSA-N	1	0	352.442	1.754	20	30		FDEDRO
C[C@@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000373405992	261008119	/nfs/dbraw/zinc/00/81/19/261008119.db2.gz	PPOXKRAWXQCPBH-HNNXBMFYSA-N	1	0	364.453	1.760	20	30		FDEDRO
CCn1ncnc1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000373488686	261014398	/nfs/dbraw/zinc/01/43/98/261014398.db2.gz	HKAMCXDEVDWMAJ-UHFFFAOYSA-N	1	0	367.457	1.587	20	30		FDEDRO
C[C@H](CNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1)C[NH+]1CCCC1	ZINC000373699250	261032581	/nfs/dbraw/zinc/03/25/81/261032581.db2.gz	HQOFVWIGQLLSSF-APWZRJJASA-N	1	0	368.481	1.897	20	30		FDEDRO
N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)NCCC[NH+]2CCCC2)c1	ZINC000373756597	261037179	/nfs/dbraw/zinc/03/71/79/261037179.db2.gz	FZOJXPGENUHBNS-GOSISDBHSA-N	1	0	354.454	1.651	20	30		FDEDRO
COc1cc(C[NH2+][C@@H]2CCCN(Cc3ccnc(C)n3)C2=O)ccc1C#N	ZINC000374129016	261081910	/nfs/dbraw/zinc/08/19/10/261081910.db2.gz	JPJXEMLJWWCZBE-GOSISDBHSA-N	1	0	365.437	1.946	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCCc2cccc(C#N)c2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000374193980	261091603	/nfs/dbraw/zinc/09/16/03/261091603.db2.gz	NZGJXCUGLHGXCC-YLJYHZDGSA-N	1	0	369.513	1.768	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c(F)cc(C#N)cc2F)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000374315889	261109140	/nfs/dbraw/zinc/10/91/40/261109140.db2.gz	GJKNSFZDESUDML-DYVFJYSZSA-N	1	0	362.424	1.934	20	30		FDEDRO
Cc1cc(C#N)ccc1C(=O)N1CCN(CC[N@@H+]2CCCOCC2)CC1	ZINC000376139665	261499080	/nfs/dbraw/zinc/49/90/80/261499080.db2.gz	KEIQHXJQULZKPE-UHFFFAOYSA-N	1	0	356.470	1.347	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)CC2)C1	ZINC000376238535	261521869	/nfs/dbraw/zinc/52/18/69/261521869.db2.gz	GBDGTCNLILQYHX-LJQANCHMSA-N	1	0	352.482	1.828	20	30		FDEDRO
C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000409483488	262124701	/nfs/dbraw/zinc/12/47/01/262124701.db2.gz	GYYIJLDKTRTDTJ-CYBMUJFWSA-N	1	0	365.377	1.168	20	30		FDEDRO
C[C@@H](CNS(=O)(=O)c1cccc(Br)c1C#N)C[NH+](C)C	ZINC000490045676	687128441	/nfs/dbraw/zinc/12/84/41/687128441.db2.gz	HCZIOFFYJVIAOQ-JTQLQIEISA-N	1	0	360.277	1.797	20	30		FDEDRO
C[NH+](C)CCn1ccc(NC(=O)C(=O)NCc2ccc(C#N)c(Cl)c2)n1	ZINC000619837385	492279851	/nfs/dbraw/zinc/27/98/51/492279851.db2.gz	LUOBOFUABBHEQK-UHFFFAOYSA-N	1	0	374.832	1.225	20	30		FDEDRO
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1	ZINC000611359020	492286390	/nfs/dbraw/zinc/28/63/90/492286390.db2.gz	CYAFGNDYQANHQL-UONOGXRCSA-N	1	0	358.446	1.191	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	ZINC000041923849	519672663	/nfs/dbraw/zinc/67/26/63/519672663.db2.gz	IUYQDPCKFJTSEL-UHFFFAOYSA-N	1	0	352.822	1.235	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)cc1	ZINC000070011325	521995508	/nfs/dbraw/zinc/99/55/08/521995508.db2.gz	YRJUSOJXCVOTDQ-WOJBJXKFSA-N	1	0	373.497	1.537	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](c2nccn2C)c2ccccc2OC)CC1	ZINC000057154354	522015178	/nfs/dbraw/zinc/01/51/78/522015178.db2.gz	VTNNQLOJJCRERZ-LJQANCHMSA-N	1	0	366.465	1.980	20	30		FDEDRO
C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C(=O)N(C)C	ZINC000046969753	522406298	/nfs/dbraw/zinc/40/62/98/522406298.db2.gz	BROBAXASHPIAOA-OAHLLOKOSA-N	1	0	357.458	1.252	20	30		FDEDRO
CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC000072855439	522409745	/nfs/dbraw/zinc/40/97/45/522409745.db2.gz	SOWOTEQEIREAHP-MRXNPFEDSA-N	1	0	358.442	1.908	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1)[N@@H+]1CCC[C@@H](C)C1	ZINC000062646797	522542793	/nfs/dbraw/zinc/54/27/93/522542793.db2.gz	HQNRQHHOIYXCDO-IAGOWNOFSA-N	1	0	370.501	1.905	20	30		FDEDRO
Cn1c(N[C@H](C[NH+]2CCCC2)c2ccccc2)c(C#N)c(=O)n(C)c1=O	ZINC000074159180	522698439	/nfs/dbraw/zinc/69/84/39/522698439.db2.gz	XQFOSXXSNPUISZ-MRXNPFEDSA-N	1	0	353.426	1.205	20	30		FDEDRO
Cc1cccc2c1ncn(CCC(=O)N(CCC#N)CCC[NH+](C)C)c2=O	ZINC000064361472	522706280	/nfs/dbraw/zinc/70/62/80/522706280.db2.gz	QYUUTMDTRVGTKG-UHFFFAOYSA-N	1	0	369.469	1.789	20	30		FDEDRO
CCN(C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)[C@H](C)c1ccc(C#N)cc1	ZINC000074228076	522721941	/nfs/dbraw/zinc/72/19/41/522721941.db2.gz	GGDDZDUYRKOQLJ-CRAIPNDOSA-N	1	0	356.470	1.878	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1	ZINC000066105834	522957688	/nfs/dbraw/zinc/95/76/88/522957688.db2.gz	AWIQNSQEMYAZSP-MRXNPFEDSA-N	1	0	363.483	1.461	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1	ZINC000076281070	523062961	/nfs/dbraw/zinc/06/29/61/523062961.db2.gz	GORQXDPNTJKSCB-OAHLLOKOSA-N	1	0	359.401	1.473	20	30		FDEDRO
CCOCCCNC(=O)C1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1	ZINC000051738694	523063696	/nfs/dbraw/zinc/06/36/96/523063696.db2.gz	UNXGHNDIHXEMOL-OAHLLOKOSA-N	1	0	352.479	1.002	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC(C[NH+]2CCOCC2)CC1	ZINC000051958183	523098231	/nfs/dbraw/zinc/09/82/31/523098231.db2.gz	BBCYPFFQRXTLFX-KRWDZBQOSA-N	1	0	362.518	1.762	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(NC(=O)C3CC3)cc2)CC1	ZINC000076512826	523127045	/nfs/dbraw/zinc/12/70/45/523127045.db2.gz	BPHMEECAZASMOD-UHFFFAOYSA-N	1	0	370.453	1.740	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)nc1	ZINC000052549153	523199786	/nfs/dbraw/zinc/19/97/86/523199786.db2.gz	XSAFZZJNKBQCBY-IAGOWNOFSA-N	1	0	354.458	1.412	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1	ZINC000052590757	523211775	/nfs/dbraw/zinc/21/17/75/523211775.db2.gz	UCVKVCFFOYZHMS-CQSZACIVSA-N	1	0	358.446	1.349	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC[NH+]2CCCCC2)cc1	ZINC000052655863	523226360	/nfs/dbraw/zinc/22/63/60/523226360.db2.gz	KWAHTELOWSEUPX-UHFFFAOYSA-N	1	0	358.442	1.143	20	30		FDEDRO
C[C@@H](c1ccccc1)N1C[C@H](C(=O)NC2(C#N)CC[NH+](C)CC2)CC1=O	ZINC000077038319	523238183	/nfs/dbraw/zinc/23/81/83/523238183.db2.gz	DQHVYXWEVGFFKG-DOTOQJQBSA-N	1	0	354.454	1.700	20	30		FDEDRO
CSc1ccc(N2C[C@H](C(=O)NC3(C#N)CC[NH+](C)CC3)CC2=O)cc1	ZINC000077039385	523241100	/nfs/dbraw/zinc/24/11/00/523241100.db2.gz	MSGVFYCZKIHSRE-CQSZACIVSA-N	1	0	372.494	1.866	20	30		FDEDRO
Cc1ccc(-n2cnnc2SCC(=O)NC2(C#N)CC[NH+](C)CC2)cc1	ZINC000077039227	523241898	/nfs/dbraw/zinc/24/18/98/523241898.db2.gz	LABSNNAGUDIDNO-UHFFFAOYSA-N	1	0	370.482	1.772	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)CN2CC[NH+](CC3CCOCC3)CC2)cc1	ZINC000077176335	523256840	/nfs/dbraw/zinc/25/68/40/523256840.db2.gz	WXAOALBIKNMYJR-HXUWFJFHSA-N	1	0	373.497	1.537	20	30		FDEDRO
C[C@H](C1CC1)N(C)S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000066914869	523260023	/nfs/dbraw/zinc/26/00/23/523260023.db2.gz	QNNWXJYCORLGJI-OAHLLOKOSA-N	1	0	364.515	1.897	20	30		FDEDRO
C[N@H+](CCNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)Cc1ccccc1	ZINC000077541607	523379971	/nfs/dbraw/zinc/37/99/71/523379971.db2.gz	NYAVMMBTXZXDKW-UHFFFAOYSA-N	1	0	354.385	1.884	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)NC[C@H](C)N2CC[NH+](CC)CC2)c1	ZINC000067344934	523396494	/nfs/dbraw/zinc/39/64/94/523396494.db2.gz	CASTXYXHPYUNBF-INIZCTEOSA-N	1	0	374.485	1.332	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CCC)C2)cc1	ZINC000067393117	523421308	/nfs/dbraw/zinc/42/13/08/523421308.db2.gz	JTGCLGYPAPSOAV-HNNXBMFYSA-N	1	0	372.469	1.389	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC000067397927	523428430	/nfs/dbraw/zinc/42/84/30/523428430.db2.gz	ITTBAWQGVXBRER-HUUCEWRRSA-N	1	0	358.442	1.764	20	30		FDEDRO
CCCNC(=O)CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000053979740	523544992	/nfs/dbraw/zinc/54/49/92/523544992.db2.gz	LAHAMABVXWDXPS-UHFFFAOYSA-N	1	0	357.458	1.302	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)CN1CCC[N@H+](Cc2ccccc2)CC1	ZINC000054984064	523725734	/nfs/dbraw/zinc/72/57/34/523725734.db2.gz	LGDYULCWXQCGGU-UHFFFAOYSA-N	1	0	353.470	1.850	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1	ZINC000054994228	523731347	/nfs/dbraw/zinc/73/13/47/523731347.db2.gz	LUOOKHVTWRWYBT-GJYPPUQNSA-N	1	0	364.490	1.000	20	30		FDEDRO
C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000079291640	523735750	/nfs/dbraw/zinc/73/57/50/523735750.db2.gz	NBQLQQIWHNWHLC-MRXNPFEDSA-N	1	0	356.474	1.659	20	30		FDEDRO
C=C(C)Cn1c(SCC(=O)N2CC([NH+](C)C)C2)nnc1-c1ccco1	ZINC000135028039	524104367	/nfs/dbraw/zinc/10/43/67/524104367.db2.gz	SIJXBJFSZKWUPR-UHFFFAOYSA-N	1	0	361.471	1.979	20	30		FDEDRO
C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C[C@H](O)CN1CCOCC1	ZINC000156680408	524130411	/nfs/dbraw/zinc/13/04/11/524130411.db2.gz	KRHJCAGCDKVWEZ-INIZCTEOSA-N	1	0	372.387	1.562	20	30		FDEDRO
C#CCNC(=O)c1ccc(NCc2ccnc(OCC[NH+](C)C)c2)nc1	ZINC000135390998	524135843	/nfs/dbraw/zinc/13/58/43/524135843.db2.gz	JMKJGYPDUXRNAC-UHFFFAOYSA-N	1	0	353.426	1.392	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1	ZINC000121260491	524203399	/nfs/dbraw/zinc/20/33/99/524203399.db2.gz	HNXSVBGJNCBZMP-UHFFFAOYSA-N	1	0	358.442	1.805	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1	ZINC000111231340	524228415	/nfs/dbraw/zinc/22/84/15/524228415.db2.gz	SWULBJNXYYASHR-HBFSDRIKSA-N	1	0	363.550	1.531	20	30		FDEDRO
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C#Cc1ccc2c(c1)OCO2	ZINC000137530069	524241798	/nfs/dbraw/zinc/24/17/98/524241798.db2.gz	MMZSEQZAKYYLBU-UHFFFAOYSA-N	1	0	357.454	1.251	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)N(CCC#N)CCC#N	ZINC000111308194	524257002	/nfs/dbraw/zinc/25/70/02/524257002.db2.gz	TVILGNYAAJHSLA-GOSISDBHSA-N	1	0	353.470	1.849	20	30		FDEDRO
N#CC1(NC(=O)CN2CCCN(C(=O)c3ccccn3)CC2)CCCCC1	ZINC000138969158	524269055	/nfs/dbraw/zinc/26/90/55/524269055.db2.gz	PGNJUNNZVQYTJL-UHFFFAOYSA-N	1	0	369.469	1.572	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccccc2C#N)[C@H](C)C1	ZINC000157629548	524309996	/nfs/dbraw/zinc/30/99/96/524309996.db2.gz	XDYMNECPRDINCZ-NVXWUHKLSA-N	1	0	365.499	1.974	20	30		FDEDRO
C[C@@H](NC(=O)N1CCN(c2cc(C#N)ccn2)CC1)C(C)(C)C[NH+](C)C	ZINC000085364006	524348002	/nfs/dbraw/zinc/34/80/02/524348002.db2.gz	WYEMUUFNDHWYQF-OAHLLOKOSA-N	1	0	358.490	1.761	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)c1ccccc1	ZINC000086432084	524387083	/nfs/dbraw/zinc/38/70/83/524387083.db2.gz	FTNWMDDVMWLZQE-OAHLLOKOSA-N	1	0	354.414	1.154	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2c[nH]c(=O)c(Br)c2)CC1	ZINC000173580145	524418572	/nfs/dbraw/zinc/41/85/72/524418572.db2.gz	QAWBKMQYPOETDZ-UHFFFAOYSA-N	1	0	354.248	1.908	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+]C2(C(N)=O)CCCCC2)c(OC)c1	ZINC000088545460	524455421	/nfs/dbraw/zinc/45/54/21/524455421.db2.gz	NERZVDUHHWYIJH-INIZCTEOSA-N	1	0	362.470	1.941	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)NC1CCN(CC[NH+](C)C)CC1	ZINC000173798877	524458383	/nfs/dbraw/zinc/45/83/83/524458383.db2.gz	OUBAVAJOWAQJOI-UHFFFAOYSA-N	1	0	362.449	1.985	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCCOc2ccc(C#N)cc2)C1	ZINC000173796383	524459100	/nfs/dbraw/zinc/45/91/00/524459100.db2.gz	YFVRKUJFVBJWLI-SFHVURJKSA-N	1	0	360.458	1.593	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(c2nnc3ccccn32)CC1	ZINC000112337537	524462616	/nfs/dbraw/zinc/46/26/16/524462616.db2.gz	FQXDTJXLHQRWGV-HNNXBMFYSA-N	1	0	354.458	1.917	20	30		FDEDRO
C[NH+]=C(NCC[S@@](=O)C(C)(C)C)N1CCN(C(=O)c2ccco2)CC1	ZINC000088667575	524462711	/nfs/dbraw/zinc/46/27/11/524462711.db2.gz	WEQGXBXVZFTQAR-VWLOTQADSA-N	1	0	368.503	1.160	20	30		FDEDRO
Cc1csc(CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)n1	ZINC000089120257	524476263	/nfs/dbraw/zinc/47/62/63/524476263.db2.gz	VSBVDPJOISAOKL-LBPRGKRZSA-N	1	0	351.476	1.832	20	30		FDEDRO
C[C@@H]1CN(C(C)(C)CNS(=O)(=O)c2ccc(C#N)cc2F)C[C@H](C)O1	ZINC000151037876	524518182	/nfs/dbraw/zinc/51/81/82/524518182.db2.gz	WLZMBDZUHDJLDL-BETUJISGSA-N	1	0	369.462	1.863	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)N2CCc3ccccc3C2)c1C#N	ZINC000089662310	524518689	/nfs/dbraw/zinc/51/86/89/524518689.db2.gz	LXPZQIAYYIYDPL-CQSZACIVSA-N	1	0	366.469	1.819	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3c(c2)CCC(=O)N3)c1C#N	ZINC000089675412	524520040	/nfs/dbraw/zinc/52/00/40/524520040.db2.gz	PEVVFXVIYJWVQX-UHFFFAOYSA-N	1	0	352.398	1.570	20	30		FDEDRO
COCc1ccccc1CNC(=O)CO[NH+]=C(N)c1ccc(N(C)C)cc1	ZINC000151288909	524549963	/nfs/dbraw/zinc/54/99/63/524549963.db2.gz	KMJBLBQXAMAPPS-UHFFFAOYSA-N	1	0	370.453	1.852	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)[C@H]1CCCN(c2ccccc2)C1=O	ZINC000089943715	524557271	/nfs/dbraw/zinc/55/72/71/524557271.db2.gz	PWOQOKDKSBZPPH-KRWDZBQOSA-N	1	0	352.442	1.924	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCN(c3ccn(C)n3)C2=O)cc1	ZINC000174588342	524637240	/nfs/dbraw/zinc/63/72/40/524637240.db2.gz	KXFQJCKKFFXLSW-WMLDXEAASA-N	1	0	353.426	1.996	20	30		FDEDRO
CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N	ZINC000091250799	524683022	/nfs/dbraw/zinc/68/30/22/524683022.db2.gz	QJMUZAPCAGXECD-MRXNPFEDSA-N	1	0	374.489	1.901	20	30		FDEDRO
C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1	ZINC000091280850	524686236	/nfs/dbraw/zinc/68/62/36/524686236.db2.gz	PLOHPXNBOFIVIE-NSHDSACASA-N	1	0	352.822	1.495	20	30		FDEDRO
C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1	ZINC000091279989	524687291	/nfs/dbraw/zinc/68/72/91/524687291.db2.gz	YRPRLPCOOXVGFE-OAHLLOKOSA-N	1	0	358.442	1.766	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1C#N	ZINC000174730412	524713264	/nfs/dbraw/zinc/71/32/64/524713264.db2.gz	RJCXARSHBBYWOF-UHFFFAOYSA-N	1	0	370.453	1.376	20	30		FDEDRO
COC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000091553880	524725277	/nfs/dbraw/zinc/72/52/77/524725277.db2.gz	BLSPFMRQPYNXQG-IAGOWNOFSA-N	1	0	364.490	1.096	20	30		FDEDRO
CC(C)C[C@@H](CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[NH+](C)C	ZINC000114377864	524778123	/nfs/dbraw/zinc/77/81/23/524778123.db2.gz	OWOMYQJAFORXCQ-KRWDZBQOSA-N	1	0	365.499	1.566	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)[N@H+](C)C1CC1	ZINC000123593951	524785234	/nfs/dbraw/zinc/78/52/34/524785234.db2.gz	XKLMCIPQWYALAL-KGLIPLIRSA-N	1	0	357.462	1.051	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCC1CC[NH+](C)CC1	ZINC000174932445	524802624	/nfs/dbraw/zinc/80/26/24/524802624.db2.gz	SSNHLFFVLZKICV-UHFFFAOYSA-N	1	0	361.417	1.624	20	30		FDEDRO
[NH2+]=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)NC1CCCCCC1	ZINC000092277226	524864044	/nfs/dbraw/zinc/86/40/44/524864044.db2.gz	KGKNJTZLRLQJKS-UHFFFAOYSA-N	1	0	371.485	1.386	20	30		FDEDRO
N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CCO1	ZINC000092604843	524899001	/nfs/dbraw/zinc/89/90/01/524899001.db2.gz	UKXXQHMBLUABAK-KRWDZBQOSA-N	1	0	356.426	1.014	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCn3cccn3)CC2)cc1	ZINC000114971580	524933421	/nfs/dbraw/zinc/93/34/21/524933421.db2.gz	HICQYWZNPFEHQZ-UHFFFAOYSA-N	1	0	352.442	1.672	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)CN1CC[NH+](C2CCOCC2)CC1	ZINC000175471921	524968083	/nfs/dbraw/zinc/96/80/83/524968083.db2.gz	DBHWBHPZRNNMLL-HXUWFJFHSA-N	1	0	360.498	1.951	20	30		FDEDRO
C[NH+]=C(NCC[C@@H]1c2ccccc2NC1=O)N1CC[C@H](c2cnn(C)c2)C1	ZINC000175577150	524980672	/nfs/dbraw/zinc/98/06/72/524980672.db2.gz	LXZYUZRFMCLFPE-WMLDXEAASA-N	1	0	366.469	1.911	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1	ZINC000152767822	524998134	/nfs/dbraw/zinc/99/81/34/524998134.db2.gz	UFACEDCQEYJPHN-INIZCTEOSA-N	1	0	358.442	1.442	20	30		FDEDRO
CCS(=O)(=O)CCNC(N[C@H]1CC(C)(C)Oc2ccccc21)=[NH+]C	ZINC000160937581	524999595	/nfs/dbraw/zinc/99/95/95/524999595.db2.gz	UYWZYIBXIBKLNP-AWEZNQCLSA-N	1	0	353.488	1.889	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1	ZINC000152854175	525027574	/nfs/dbraw/zinc/02/75/74/525027574.db2.gz	CRULNILTDFWUDJ-TZMCWYRMSA-N	1	0	364.427	1.571	20	30		FDEDRO
COCc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCN(c3ccc(C#N)cc3)C1=O)CC2	ZINC000124699694	525055749	/nfs/dbraw/zinc/05/57/49/525055749.db2.gz	QIDLBRGPXHUAGY-HOCLYGCPSA-N	1	0	366.425	1.006	20	30		FDEDRO
CCc1nsc(N2CCN(C(NCCc3nccs3)=[NH+]C)CC2)n1	ZINC000153152149	525123052	/nfs/dbraw/zinc/12/30/52/525123052.db2.gz	NHHBXQCGPRLSFL-UHFFFAOYSA-N	1	0	365.532	1.497	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153254481	525156435	/nfs/dbraw/zinc/15/64/35/525156435.db2.gz	JCQZCULVLLFAGV-NSHDSACASA-N	1	0	371.401	1.663	20	30		FDEDRO
Cc1cccc(S(=O)(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1C#N	ZINC000161714231	525158677	/nfs/dbraw/zinc/15/86/77/525158677.db2.gz	PTIXDFFTSVJYGI-OAHLLOKOSA-N	1	0	351.472	1.382	20	30		FDEDRO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)CCCN1C(=O)c2ccccc2C1=O	ZINC000153304968	525172770	/nfs/dbraw/zinc/17/27/70/525172770.db2.gz	XUMFZXIZWUGHKP-UHFFFAOYSA-N	1	0	366.425	1.414	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(C(=O)c2cc3c(cc(F)cc3C)[nH]2)CC1	ZINC000116752726	525204469	/nfs/dbraw/zinc/20/44/69/525204469.db2.gz	OWRFCKVXMSRJQA-UHFFFAOYSA-N	1	0	370.428	1.513	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000125474404	525204594	/nfs/dbraw/zinc/20/45/94/525204594.db2.gz	OOCHJBUYFSKAEO-UHFFFAOYSA-N	1	0	357.374	1.275	20	30		FDEDRO
N#CCCn1ccc(NC(=O)C(=O)N2CC[NH+]([C@H]3C[C@H]4CC[C@@H]3C4)CC2)n1	ZINC000125514657	525208580	/nfs/dbraw/zinc/20/85/80/525208580.db2.gz	YNRHNRDASSOUJV-XHSDSOJGSA-N	1	0	370.457	1.068	20	30		FDEDRO
C=CCNC(=O)CN1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1	ZINC000101562996	525232133	/nfs/dbraw/zinc/23/21/33/525232133.db2.gz	AXSIKZPIEMJLFX-INIZCTEOSA-N	1	0	365.499	1.288	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N1CCC[N@H+](CCCc2ccccc2)CC1	ZINC000101581978	525236782	/nfs/dbraw/zinc/23/67/82/525236782.db2.gz	WZEZEJSNDWQRMB-UHFFFAOYSA-N	1	0	364.515	1.717	20	30		FDEDRO
N#Cc1cccc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000116922383	525253357	/nfs/dbraw/zinc/25/33/57/525253357.db2.gz	FSWFNJBTQKKYEK-UHFFFAOYSA-N	1	0	360.395	1.535	20	30		FDEDRO
CC[NH+]=C(NC[C@@H](C)c1c(C)noc1C)N1CCN(c2ncccn2)CC1	ZINC000162483021	525266291	/nfs/dbraw/zinc/26/62/91/525266291.db2.gz	WMMPPEPCXDOFRP-CQSZACIVSA-N	1	0	371.489	1.973	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Nc1ccc(CC#N)cc1	ZINC000102051003	525271720	/nfs/dbraw/zinc/27/17/20/525271720.db2.gz	KTVFTNGMYGKFSH-QGZVFWFLSA-N	1	0	357.458	1.817	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CNC(=O)c1cccs1	ZINC000117239500	525290315	/nfs/dbraw/zinc/29/03/15/525290315.db2.gz	MXTVPXUUODWYDX-UHFFFAOYSA-N	1	0	370.478	1.940	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)[C@H]1CCOC1	ZINC000162689930	525300689	/nfs/dbraw/zinc/30/06/89/525300689.db2.gz	UDTOWBKSANCBLD-IEZWGBDMSA-N	1	0	374.460	1.549	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1	ZINC000162977998	525343223	/nfs/dbraw/zinc/34/32/23/525343223.db2.gz	KFOYQUJAXVQLFQ-RDJZCZTQSA-N	1	0	357.458	1.118	20	30		FDEDRO
CCCC(=O)Nc1ccc(CNC(NCCN2CCOCC2)=[NH+]C)cc1	ZINC000104170513	525397244	/nfs/dbraw/zinc/39/72/44/525397244.db2.gz	UPSAZCGRGWLYNW-UHFFFAOYSA-N	1	0	361.490	1.422	20	30		FDEDRO
C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1	ZINC000127273406	525404510	/nfs/dbraw/zinc/40/45/10/525404510.db2.gz	IWOHJXKQDJIHJD-JKSUJKDBSA-N	1	0	356.463	1.896	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(C(=O)COc3ccccc3C#N)CC2)c1	ZINC000104515887	525414663	/nfs/dbraw/zinc/41/46/63/525414663.db2.gz	BBBFHDDFOPIWDS-UHFFFAOYSA-N	1	0	352.394	1.689	20	30		FDEDRO
N#CCSc1ccccc1NC(=O)CN1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000178824340	525486333	/nfs/dbraw/zinc/48/63/33/525486333.db2.gz	KFDBRZGGLPWARC-INIZCTEOSA-N	1	0	374.510	1.895	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(F)c(C#N)c2)CC1=O	ZINC000105328621	525501164	/nfs/dbraw/zinc/50/11/64/525501164.db2.gz	QSXHHVGIIBHIKX-ZBFHGGJFSA-N	1	0	358.417	1.969	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)CC1	ZINC000106036778	525553702	/nfs/dbraw/zinc/55/37/02/525553702.db2.gz	WIFWPDQHXVUIDH-HNNXBMFYSA-N	1	0	369.469	1.482	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H](C)Cn2ncc3ccccc3c2=O)CC1	ZINC000179340675	525560647	/nfs/dbraw/zinc/56/06/47/525560647.db2.gz	PJBKADHSVSGYKY-OAHLLOKOSA-N	1	0	369.469	1.735	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1	ZINC000154543554	525567166	/nfs/dbraw/zinc/56/71/66/525567166.db2.gz	FXXVBGSKVUIPGW-HNNXBMFYSA-N	1	0	363.483	1.836	20	30		FDEDRO
COCC[N@H+](C)CCCC1CCN(S(=O)(=O)CC2(C#N)CC2)CC1	ZINC000166232486	525576257	/nfs/dbraw/zinc/57/62/57/525576257.db2.gz	ABVBZYCNJPWERM-UHFFFAOYSA-N	1	0	357.520	1.690	20	30		FDEDRO
C=C(C)COCCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000154665017	525604702	/nfs/dbraw/zinc/60/47/02/525604702.db2.gz	FGUCNKIOXLBNIS-RTBURBONSA-N	1	0	361.486	1.761	20	30		FDEDRO
CC[NH+](CC)CCN(C(=O)c1cc(C#N)cs1)[C@H]1CCS(=O)(=O)C1	ZINC000179751865	525623192	/nfs/dbraw/zinc/62/31/92/525623192.db2.gz	DINBKDWJCQTUJW-AWEZNQCLSA-N	1	0	369.512	1.591	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)CCO1	ZINC000179805369	525633961	/nfs/dbraw/zinc/63/39/61/525633961.db2.gz	LMEWXGMQHIVEMW-LJQANCHMSA-N	1	0	372.469	1.638	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1	ZINC000180177225	525670793	/nfs/dbraw/zinc/67/07/93/525670793.db2.gz	UJMZBZZCAXBKRE-SFHVURJKSA-N	1	0	374.485	1.824	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CNC(=O)c2ccc(OCC)cc2)CC1	ZINC000106291131	525688486	/nfs/dbraw/zinc/68/84/86/525688486.db2.gz	GGMMUXLMSQIDOS-UHFFFAOYSA-N	1	0	359.470	1.972	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCNC(=O)[C@@H]2c2ccccc2)CC1	ZINC000106340856	525698161	/nfs/dbraw/zinc/69/81/61/525698161.db2.gz	VZPDHOYJEHXNSI-SFHVURJKSA-N	1	0	356.470	1.910	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1	ZINC000106349571	525699072	/nfs/dbraw/zinc/69/90/72/525699072.db2.gz	BZUOAEGXSJLBBO-UHFFFAOYSA-N	1	0	360.414	1.998	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-n3cccn3)cc2)CC1	ZINC000106349603	525699602	/nfs/dbraw/zinc/69/96/02/525699602.db2.gz	LOIXPHZWBSYDAN-UHFFFAOYSA-N	1	0	367.453	1.968	20	30		FDEDRO
Cn1ccnc1CN1CCC(C(=O)N(CCC#N)CCC[NH+](C)C)CC1	ZINC000170814213	525723120	/nfs/dbraw/zinc/72/31/20/525723120.db2.gz	VRATXJVTVZBSOM-UHFFFAOYSA-N	1	0	360.506	1.326	20	30		FDEDRO
CC(C)[C@@H](C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)[NH+](C)C	ZINC000106430273	525723808	/nfs/dbraw/zinc/72/38/08/525723808.db2.gz	LMBRDEOYMXAGJX-SFHVURJKSA-N	1	0	368.485	1.961	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)CCC2CCOCC2)CC1	ZINC000180711113	525744740	/nfs/dbraw/zinc/74/47/40/525744740.db2.gz	KICJZWCEVIRJRF-SFHVURJKSA-N	1	0	350.507	1.427	20	30		FDEDRO
COc1ccccc1CNC(=[NH2+])NCCNC(=O)c1ccc(C)c(F)c1	ZINC000170910509	525764792	/nfs/dbraw/zinc/76/47/92/525764792.db2.gz	YMAMYAWEBFWWQV-UHFFFAOYSA-N	1	0	358.417	1.977	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCCN2CCOC(C)(C)C2)cc1OC	ZINC000170912860	525766757	/nfs/dbraw/zinc/76/67/57/525766757.db2.gz	UVZAJSMIKVLKPR-UHFFFAOYSA-N	1	0	364.490	1.261	20	30		FDEDRO
C=CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C	ZINC000119507133	525768285	/nfs/dbraw/zinc/76/82/85/525768285.db2.gz	GBWGCZLMUBXLMI-OAHLLOKOSA-N	1	0	367.515	1.919	20	30		FDEDRO
CC[NH+](CC)CCN(C(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000131047434	525823786	/nfs/dbraw/zinc/82/37/86/525823786.db2.gz	HFXCUFRZMRUYHI-QGZVFWFLSA-N	1	0	363.483	1.529	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1	ZINC000131139041	525830647	/nfs/dbraw/zinc/83/06/47/525830647.db2.gz	KCUHUSKISITRRA-UHFFFAOYSA-N	1	0	365.503	1.111	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N1CCC([N@H+](C)CCCO)CC1	ZINC000119711104	525836519	/nfs/dbraw/zinc/83/65/19/525836519.db2.gz	ACCXTUBDNHYRPW-UHFFFAOYSA-N	1	0	351.472	1.334	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)c1cccc(F)c1	ZINC000171106324	525846522	/nfs/dbraw/zinc/84/65/22/525846522.db2.gz	BGOQIMCAYMLOCN-GOSISDBHSA-N	1	0	368.412	1.846	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CCCC[C@@H]1C	ZINC000181665766	525887167	/nfs/dbraw/zinc/88/71/67/525887167.db2.gz	JCWRDBQAZSLLQO-GJZGRUSLSA-N	1	0	358.442	1.907	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1	ZINC000181665934	525888174	/nfs/dbraw/zinc/88/81/74/525888174.db2.gz	RWRVBTDMVHZJOH-CABCVRRESA-N	1	0	358.442	1.764	20	30		FDEDRO
N#Cc1ccc(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)nc1	ZINC000107470128	525891379	/nfs/dbraw/zinc/89/13/79/525891379.db2.gz	ZDXUXFJMPBAEDU-INIZCTEOSA-N	1	0	363.421	1.903	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=O)NC2CC[NH+](CCCOC)CC2)c1	ZINC000171199897	525891924	/nfs/dbraw/zinc/89/19/24/525891924.db2.gz	AOCKERSXXIRLAF-UHFFFAOYSA-N	1	0	372.469	1.407	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNC(=O)CNc2cccc(C#N)c2)ccn1	ZINC000155633626	525929919	/nfs/dbraw/zinc/92/99/19/525929919.db2.gz	GDINMDSWCALXEI-UHFFFAOYSA-N	1	0	353.426	1.622	20	30		FDEDRO
COCC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H](C)C(N)=O	ZINC000155645301	525931572	/nfs/dbraw/zinc/93/15/72/525931572.db2.gz	RQWODCHCMJQPFI-NSHDSACASA-N	1	0	352.822	1.362	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN([C@@H]3CCN(c4sccc4C#N)C3=O)C2)CC1	ZINC000155683557	525945246	/nfs/dbraw/zinc/94/52/46/525945246.db2.gz	XDLADULGNXUPOI-IAGOWNOFSA-N	1	0	373.526	1.437	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(Cn3ccnn3)CC2)cc1	ZINC000155732638	525959181	/nfs/dbraw/zinc/95/91/81/525959181.db2.gz	CWRWAAGOBWCCIN-SFHVURJKSA-N	1	0	355.442	1.496	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-c3cc[nH]n3)cc2)CC1	ZINC000181876742	525967186	/nfs/dbraw/zinc/96/71/86/525967186.db2.gz	BVRWLHZGYUKRCR-UHFFFAOYSA-N	1	0	353.426	1.782	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C	ZINC000181885425	525970585	/nfs/dbraw/zinc/97/05/85/525970585.db2.gz	BFWMWZRMBHNZPD-KFWWJZLASA-N	1	0	356.426	1.611	20	30		FDEDRO
Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](CC(N)=O)C2CCOCC2)c(C#N)c1C	ZINC000181940157	525992329	/nfs/dbraw/zinc/99/23/29/525992329.db2.gz	XWJJCOGBNSXOTF-XHDPSFHLSA-N	1	0	362.430	1.355	20	30		FDEDRO
C[C@]1(n2cc(C[NH2+]CCOc3ccc(C#N)cc3)cn2)CCS(=O)(=O)C1	ZINC000133126263	526026735	/nfs/dbraw/zinc/02/67/35/526026735.db2.gz	UDKOOSXBFYYDGY-SFHVURJKSA-N	1	0	374.466	1.457	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000171548341	526031546	/nfs/dbraw/zinc/03/15/46/526031546.db2.gz	RTUFTTPAWHAJDS-UHFFFAOYSA-N	1	0	352.460	1.496	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000120361042	526039592	/nfs/dbraw/zinc/03/95/92/526039592.db2.gz	SPWHGWPYBLHEPX-JKSUJKDBSA-N	1	0	371.489	1.443	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](C)c2ccccc2NS(C)(=O)=O)CC1	ZINC000108934208	526046432	/nfs/dbraw/zinc/04/64/32/526046432.db2.gz	IOYKSNQLHCDZOX-CQSZACIVSA-N	1	0	363.483	1.581	20	30		FDEDRO
CN(C)C(=O)C[NH+]=C(NCCc1ccccn1)N1CCc2ccccc21	ZINC000171611907	526049317	/nfs/dbraw/zinc/04/93/17/526049317.db2.gz	ZTUASEWWLBAHKC-UHFFFAOYSA-N	1	0	351.454	1.721	20	30		FDEDRO
CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CCO[C@H](C#N)C3)c2C1	ZINC000171621418	526053768	/nfs/dbraw/zinc/05/37/68/526053768.db2.gz	HNPFKOBKBUPMCY-GOEBONIOSA-N	1	0	370.453	1.736	20	30		FDEDRO
C=CCCS(=O)(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000120458462	526069868	/nfs/dbraw/zinc/06/98/68/526069868.db2.gz	IFHYIXWNFZXAPO-QGZVFWFLSA-N	1	0	365.499	1.379	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2ccc(Cn3cncn3)cc2)CC1	ZINC000171705853	526086329	/nfs/dbraw/zinc/08/63/29/526086329.db2.gz	PAKQQOVKLHJNDD-UHFFFAOYSA-N	1	0	354.458	1.776	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)CC1	ZINC000171727903	526095959	/nfs/dbraw/zinc/09/59/59/526095959.db2.gz	ZHNYZRRDRNPTBG-UHFFFAOYSA-N	1	0	352.438	1.677	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000109257833	526096358	/nfs/dbraw/zinc/09/63/58/526096358.db2.gz	DNAIQWJTKVBCSS-UHFFFAOYSA-N	1	0	371.466	1.184	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)CC1	ZINC000171725613	526096810	/nfs/dbraw/zinc/09/68/10/526096810.db2.gz	AWKXROWFUWIFIN-SFHVURJKSA-N	1	0	357.454	1.181	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2cccc(CS(N)(=O)=O)c2)CC1	ZINC000171728610	526099743	/nfs/dbraw/zinc/09/97/43/526099743.db2.gz	LUDWBKUYNGSKEZ-UHFFFAOYSA-N	1	0	351.472	1.245	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1CC[NH+](C2CC2)CC1	ZINC000156310128	526105032	/nfs/dbraw/zinc/10/50/32/526105032.db2.gz	HLXDZYJJRBWDDQ-UHFFFAOYSA-N	1	0	350.400	1.372	20	30		FDEDRO
C=CCNC(=O)CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1	ZINC000182255438	526113349	/nfs/dbraw/zinc/11/33/49/526113349.db2.gz	KQAUXTKDMOZCFN-UHFFFAOYSA-N	1	0	362.499	1.702	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCC[C@H](CO)C2)CC1	ZINC000182622417	535835312	/nfs/dbraw/zinc/83/53/12/535835312.db2.gz	PAFDZKLGPMOOPX-JKSUJKDBSA-N	1	0	362.499	1.161	20	30		FDEDRO
CO[C@H]1CCC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1	ZINC000182749035	535856576	/nfs/dbraw/zinc/85/65/76/535856576.db2.gz	FBKBJDFWMUMFLX-HOTGVXAUSA-N	1	0	362.499	1.568	20	30		FDEDRO
C=CC[C@@H](CO)NC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1	ZINC000182901354	535885154	/nfs/dbraw/zinc/88/51/54/535885154.db2.gz	IKKFBKTZPAILOG-KRWDZBQOSA-N	1	0	360.458	1.326	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000183154421	535930834	/nfs/dbraw/zinc/93/08/34/535930834.db2.gz	HFBHNSNDXFSPDN-GOSISDBHSA-N	1	0	360.502	1.825	20	30		FDEDRO
N#Cc1ccccc1OCC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1	ZINC000183459706	535985261	/nfs/dbraw/zinc/98/52/61/535985261.db2.gz	SRBODUZYCKKEIU-IBGZPJMESA-N	1	0	365.433	1.820	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1	ZINC000184588344	536168182	/nfs/dbraw/zinc/16/81/82/536168182.db2.gz	QPLPRXJWXITVQW-UHFFFAOYSA-N	1	0	351.414	1.911	20	30		FDEDRO
C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000185337359	536205807	/nfs/dbraw/zinc/20/58/07/536205807.db2.gz	BGEUYVPHIRXIGR-CYBMUJFWSA-N	1	0	370.906	1.516	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)c1C#N	ZINC000185351022	536206105	/nfs/dbraw/zinc/20/61/05/536206105.db2.gz	ICISPQGDSXQYNP-HNNXBMFYSA-N	1	0	350.488	1.171	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC3(CC2)[C@H](O)C[C@H]3OCC)CC1	ZINC000185386350	536207207	/nfs/dbraw/zinc/20/72/07/536207207.db2.gz	RKQGBAWWVIHCGL-IAGOWNOFSA-N	1	0	351.491	1.598	20	30		FDEDRO
C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)c2ccc(F)cc2C#N)CC1	ZINC000185433444	536208513	/nfs/dbraw/zinc/20/85/13/536208513.db2.gz	NREMHWQRAMYLAQ-UHFFFAOYSA-N	1	0	368.478	1.392	20	30		FDEDRO
Cn1cc(S(=O)(=O)N2CCC([NH2+][C@@H]3CCC[C@H](C#N)C3)CC2)cn1	ZINC000185842269	536219005	/nfs/dbraw/zinc/21/90/05/536219005.db2.gz	XZKMYJPIXGCRKK-DZGCQCFKSA-N	1	0	351.476	1.245	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1CCC(CC[NH+](C)C)CC1	ZINC000185900843	536220828	/nfs/dbraw/zinc/22/08/28/536220828.db2.gz	SDZIOBCTKMRKCQ-UHFFFAOYSA-N	1	0	351.472	1.919	20	30		FDEDRO
C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000185936591	536222092	/nfs/dbraw/zinc/22/20/92/536222092.db2.gz	FTSPOVNCHVZLHC-ZDUSSCGKSA-N	1	0	370.906	1.516	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)c1	ZINC000186542326	536236937	/nfs/dbraw/zinc/23/69/37/536236937.db2.gz	YGWOODWODVQRLQ-HNNXBMFYSA-N	1	0	363.483	1.508	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)CC[N@H+](C)C1CC1	ZINC000186723977	536242498	/nfs/dbraw/zinc/24/24/98/536242498.db2.gz	GXSDRHZGJDUCAB-UHFFFAOYSA-N	1	0	354.458	1.703	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)CC1(CO)CC1	ZINC000186795244	536244494	/nfs/dbraw/zinc/24/44/94/536244494.db2.gz	UTIFFHHVLNJYMZ-GOSISDBHSA-N	1	0	374.460	1.239	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C	ZINC000187465228	536266950	/nfs/dbraw/zinc/26/69/50/536266950.db2.gz	DWVBADWQVQRFKX-CQSZACIVSA-N	1	0	372.391	1.910	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1	ZINC000187557504	536269168	/nfs/dbraw/zinc/26/91/68/536269168.db2.gz	ITOMACXBYQWCNC-UHFFFAOYSA-N	1	0	355.438	1.724	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000246315476	536925316	/nfs/dbraw/zinc/92/53/16/536925316.db2.gz	CTDHPCOYESSGPU-HKUYNNGSSA-N	1	0	357.454	1.817	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)CCN1CC(C)(C)O	ZINC000188801833	536951424	/nfs/dbraw/zinc/95/14/24/536951424.db2.gz	QRQVAXYQEIUFJV-GFCCVEGCSA-N	1	0	355.435	1.163	20	30		FDEDRO
Cc1sc(NC(=O)CN2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c(C#N)c1C	ZINC000246441721	536954995	/nfs/dbraw/zinc/95/49/95/536954995.db2.gz	UNIKYBSNWJHOIS-NEPJUHHUSA-N	1	0	350.488	1.562	20	30		FDEDRO
C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000246660511	536998728	/nfs/dbraw/zinc/99/87/28/536998728.db2.gz	RXLVLOIOMNSFCI-SJORKVTESA-N	1	0	356.470	1.929	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2cccc(Cl)c2C#N)CC1	ZINC000189119738	537000362	/nfs/dbraw/zinc/00/03/62/537000362.db2.gz	JGRFJYXLSZOSFF-CYBMUJFWSA-N	1	0	370.906	1.516	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2cccc(C)c2C#N)CC1	ZINC000189117700	537000755	/nfs/dbraw/zinc/00/07/55/537000755.db2.gz	GLJZNJWOUDAZFU-OAHLLOKOSA-N	1	0	350.488	1.171	20	30		FDEDRO
C=CCNC(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)=[NH+]C	ZINC000263255649	537002229	/nfs/dbraw/zinc/00/22/29/537002229.db2.gz	QNHITGUOAAFGOJ-UHFFFAOYSA-N	1	0	350.488	1.712	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1	ZINC000268171444	537011550	/nfs/dbraw/zinc/01/15/50/537011550.db2.gz	LSCFINSWIJSLEA-SUMWQHHRSA-N	1	0	370.453	1.140	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1	ZINC000263698379	537070495	/nfs/dbraw/zinc/07/04/95/537070495.db2.gz	LCXNTFOGSIXMHA-STQMWFEESA-N	1	0	354.451	1.233	20	30		FDEDRO
CCO[C@H]1C[C@](CO)([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1(C)C	ZINC000189992145	537124513	/nfs/dbraw/zinc/12/45/13/537124513.db2.gz	SHPROABOZISYQR-FUHWJXTLSA-N	1	0	366.483	1.488	20	30		FDEDRO
CCO[C@@H]1C[C@](CO)([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1(C)C	ZINC000190016313	537127592	/nfs/dbraw/zinc/12/75/92/537127592.db2.gz	ZKXFOHQRLWGDDH-SJLPKXTDSA-N	1	0	366.483	1.488	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1	ZINC000190021258	537128275	/nfs/dbraw/zinc/12/82/75/537128275.db2.gz	HFMLMANREFNFHX-MRXNPFEDSA-N	1	0	370.453	1.982	20	30		FDEDRO
CC(C)CNC(=[NH2+])NCc1ccccc1OCC(=O)NC[C@H]1CCCO1	ZINC000264098678	537137410	/nfs/dbraw/zinc/13/74/10/537137410.db2.gz	NIINBWJQOKAGPV-MRXNPFEDSA-N	1	0	362.474	1.421	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1	ZINC000264164424	537138621	/nfs/dbraw/zinc/13/86/21/537138621.db2.gz	GLAKEFJWVXWJJD-KGLIPLIRSA-N	1	0	368.478	1.576	20	30		FDEDRO
[NH2+]=C(NCCCNC(=O)c1cccc(Br)c1)N1CCOCC1	ZINC000264300795	537140874	/nfs/dbraw/zinc/14/08/74/537140874.db2.gz	RSCLRGJXSZDEAX-UHFFFAOYSA-N	1	0	369.263	1.216	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@@H]3CCC[C@H](C)[C@H]3C)CC2)o1	ZINC000248568379	537192702	/nfs/dbraw/zinc/19/27/02/537192702.db2.gz	PVFPDTVIBBHLCS-SQWLQELKSA-N	1	0	359.474	1.918	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000248800326	537212889	/nfs/dbraw/zinc/21/28/89/537212889.db2.gz	QCFXUZZVMDEJPC-MSOLQXFVSA-N	1	0	369.469	1.443	20	30		FDEDRO
N#C[C@@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000192763330	537232760	/nfs/dbraw/zinc/23/27/60/537232760.db2.gz	YUNVWCIJJTVTSM-CHWSQXEVSA-N	1	0	352.416	1.545	20	30		FDEDRO
C[C@H]1C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC[C@H]1O	ZINC000249530500	537237745	/nfs/dbraw/zinc/23/77/45/537237745.db2.gz	AWAAMEKLTJZZNN-XJKSGUPXSA-N	1	0	354.372	1.876	20	30		FDEDRO
CC(C)c1csc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)n1	ZINC000193373899	537246207	/nfs/dbraw/zinc/24/62/07/537246207.db2.gz	OBFUFOPTTNMGKT-UHFFFAOYSA-N	1	0	351.476	1.899	20	30		FDEDRO
CCOC1CC(CNC(=[NH2+])Nc2cccc(OC)c2)(N2CCOCC2)C1	ZINC000193827389	537255961	/nfs/dbraw/zinc/25/59/61/537255961.db2.gz	TXFYPNXLMPNJCS-UHFFFAOYSA-N	1	0	362.474	1.692	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cn1	ZINC000363637847	537264613	/nfs/dbraw/zinc/26/46/13/537264613.db2.gz	OOLRXKOWGWXPOP-UHFFFAOYSA-N	1	0	364.471	1.076	20	30		FDEDRO
COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(C)(C)c1cc(F)cc(C#N)c1	ZINC000285803335	537297943	/nfs/dbraw/zinc/29/79/43/537297943.db2.gz	QARXJDWWFRABNY-HNNXBMFYSA-N	1	0	358.373	1.599	20	30		FDEDRO
[NH2+]=C(NCCN1CCNC(=O)C1)Nc1cccc(Oc2ccccc2)c1	ZINC000272664897	537316185	/nfs/dbraw/zinc/31/61/85/537316185.db2.gz	UFOODYCFMKHRQQ-UHFFFAOYSA-N	1	0	353.426	1.637	20	30		FDEDRO
CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C[C@H]1N1CCOCC1	ZINC000332976581	537332043	/nfs/dbraw/zinc/33/20/43/537332043.db2.gz	LBKSWVKARBEION-RCCFBDPRSA-N	1	0	362.518	1.760	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1	ZINC000278486372	537338025	/nfs/dbraw/zinc/33/80/25/537338025.db2.gz	YLDJFQZGGCCQLW-OAHLLOKOSA-N	1	0	358.442	1.422	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@@H](C)Cn1cccn1)C(C)C	ZINC000282934338	537348115	/nfs/dbraw/zinc/34/81/15/537348115.db2.gz	APGTYFIXZJUXQN-DLBZAZTESA-N	1	0	361.490	1.203	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)n1	ZINC000279576734	537350858	/nfs/dbraw/zinc/35/08/58/537350858.db2.gz	UEXCVTIFXPZRMC-MOPGFXCFSA-N	1	0	373.501	1.426	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCC2(S(C)(=O)=O)CCC2)cc1OC	ZINC000279872361	537355634	/nfs/dbraw/zinc/35/56/34/537355634.db2.gz	AGJMVYJCDAOGKN-UHFFFAOYSA-N	1	0	355.460	1.075	20	30		FDEDRO
N#Cc1ccc(CN(CC(=O)NC(=O)NCC(F)(F)F)C2CC2)cc1	ZINC000194963307	537355984	/nfs/dbraw/zinc/35/59/84/537355984.db2.gz	ULZMYBYDRHYGNM-UHFFFAOYSA-N	1	0	354.332	1.911	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](CCOC)CC1	ZINC000195160042	537362400	/nfs/dbraw/zinc/36/24/00/537362400.db2.gz	SFMCSNFUKYFVEB-UHFFFAOYSA-N	1	0	374.485	1.827	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCCc3nccs3)=[NH+]C[C@@H]2C1	ZINC000290678600	537385996	/nfs/dbraw/zinc/38/59/96/537385996.db2.gz	PTGXXABQVPDKIT-CYBMUJFWSA-N	1	0	365.503	1.956	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC(c3ccc(OC)cc3)=NO2)CC1	ZINC000283687629	537386851	/nfs/dbraw/zinc/38/68/51/537386851.db2.gz	WTRDOSNYFMBETC-SFHVURJKSA-N	1	0	355.438	1.650	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CC[C@@H](COCC)C1)C(C)C	ZINC000283887611	537390229	/nfs/dbraw/zinc/39/02/29/537390229.db2.gz	FDOJJELJGOUYCG-MSOLQXFVSA-N	1	0	365.518	1.686	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1	ZINC000283928016	537394245	/nfs/dbraw/zinc/39/42/45/537394245.db2.gz	FKVHQOXQDIJXAC-UHFFFAOYSA-N	1	0	373.497	1.519	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1	ZINC000293229343	537394620	/nfs/dbraw/zinc/39/46/20/537394620.db2.gz	DUHXSGIIFMITMT-HXUWFJFHSA-N	1	0	355.438	1.581	20	30		FDEDRO
CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)C1	ZINC000283958345	537396248	/nfs/dbraw/zinc/39/62/48/537396248.db2.gz	KTXVCLZGILXVJH-WBVHZDCISA-N	1	0	356.470	1.926	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(C2CC[NH+]([C@H](C)c3ccncc3)CC2)C1=O	ZINC000348609415	537397274	/nfs/dbraw/zinc/39/72/74/537397274.db2.gz	WMJLSYKRXPHYRM-PBHICJAKSA-N	1	0	358.442	1.730	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C1(Cc2ccc(F)cc2)CCOCC1	ZINC000293337120	537420905	/nfs/dbraw/zinc/42/09/05/537420905.db2.gz	SBYCJXBZNBURKJ-AWEZNQCLSA-N	1	0	363.433	1.907	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCN(C)C[C@H]2c2ccccc2)CC1	ZINC000286333175	537432720	/nfs/dbraw/zinc/43/27/20/537432720.db2.gz	AREODUKOZSNFLX-IBGZPJMESA-N	1	0	370.497	1.268	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)CC1	ZINC000271605844	537464203	/nfs/dbraw/zinc/46/42/03/537464203.db2.gz	JIXAPYDFJOFSGI-SJORKVTESA-N	1	0	358.490	1.281	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(N2CCCCC2)cc1	ZINC000293461692	537470876	/nfs/dbraw/zinc/47/08/76/537470876.db2.gz	UENBAFWRTUYUPH-UHFFFAOYSA-N	1	0	356.470	1.687	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1nc(C2CCOCC2)cs1	ZINC000293499040	537489033	/nfs/dbraw/zinc/48/90/33/537489033.db2.gz	XASXTRHOLYWKBX-UHFFFAOYSA-N	1	0	364.471	1.047	20	30		FDEDRO
C[NH+](C)C1CCN(CCNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1	ZINC000293502297	537490899	/nfs/dbraw/zinc/49/08/99/537490899.db2.gz	WNZWAFOKKZMKOX-UHFFFAOYSA-N	1	0	369.391	1.728	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(C(=O)N[C@@H](C)CC)cc1	ZINC000293506693	537491663	/nfs/dbraw/zinc/49/16/63/537491663.db2.gz	XSSLMBAWFMPUQF-HNNXBMFYSA-N	1	0	372.469	1.225	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](c3n[nH]cc3CN3CCOCC3)C2)C1=O	ZINC000281327811	537530768	/nfs/dbraw/zinc/53/07/68/537530768.db2.gz	LRBSGEUFAHBGQY-FUHWJXTLSA-N	1	0	373.501	1.208	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)CC[NH+](C)C)cc1	ZINC000299373089	537558224	/nfs/dbraw/zinc/55/82/24/537558224.db2.gz	MVLQDRBWEOVZDY-CQSZACIVSA-N	1	0	368.503	1.955	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)CCN1C1CC1	ZINC000365813904	537587566	/nfs/dbraw/zinc/58/75/66/537587566.db2.gz	IFWZMSLFNRKNBU-MOPGFXCFSA-N	1	0	356.445	1.989	20	30		FDEDRO
N#C[C@H]1CN(C(=O)[C@H]2CCCN2Cc2ccc(F)cc2)CCN1C1CC1	ZINC000365813906	537588344	/nfs/dbraw/zinc/58/83/44/537588344.db2.gz	IFWZMSLFNRKNBU-RBUKOAKNSA-N	1	0	356.445	1.989	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]C(C)(C)COc1ncccc1Br	ZINC000293790392	537589205	/nfs/dbraw/zinc/58/92/05/537589205.db2.gz	MNILYBBCQZAYJS-UHFFFAOYSA-N	1	0	354.248	1.731	20	30		FDEDRO
CNS(=O)(=O)NC1CC[NH+](Cc2ccc(N(C)CCC#N)cc2)CC1	ZINC000291507565	537615164	/nfs/dbraw/zinc/61/51/64/537615164.db2.gz	IBRAVYTVHRDHNB-UHFFFAOYSA-N	1	0	365.503	1.055	20	30		FDEDRO
C[NH2+]CCCC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1	ZINC000237243486	537619365	/nfs/dbraw/zinc/61/93/65/537619365.db2.gz	RGDNXKGAVPCMNM-CYVLTUHYSA-N	1	0	352.460	1.438	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CSc1nnc(C)n1Cc1ccccc1	ZINC000293908121	537621631	/nfs/dbraw/zinc/62/16/31/537621631.db2.gz	FXASFKMHWUFTRB-UHFFFAOYSA-N	1	0	371.510	1.798	20	30		FDEDRO
C#CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C(=O)NC(=O)NCC(F)(F)F	ZINC000285129846	537624710	/nfs/dbraw/zinc/62/47/10/537624710.db2.gz	NWKMAHBUQGDFAV-GXTWGEPZSA-N	1	0	355.360	1.987	20	30		FDEDRO
Cc1nn(C)c2ncc(C(=O)NC3CC[NH+]([C@H]4CCN(C)C4=O)CC3)cc12	ZINC000329167582	537634784	/nfs/dbraw/zinc/63/47/84/537634784.db2.gz	ISTMEDZZHKPVDB-INIZCTEOSA-N	1	0	370.457	1.276	20	30		FDEDRO
Cc1noc([C@@H]2CCCN(C(=O)N[C@@H](C)CN3CC[NH+](C)CC3)C2)n1	ZINC000329179156	537635853	/nfs/dbraw/zinc/63/58/53/537635853.db2.gz	NUSSSWSKGSMCMG-DZGCQCFKSA-N	1	0	350.467	1.107	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cc1	ZINC000237716038	537637891	/nfs/dbraw/zinc/63/78/91/537637891.db2.gz	ZIBLFTULYNGSLZ-BBRMVZONSA-N	1	0	351.472	1.350	20	30		FDEDRO
CN1CCN(CC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1=O	ZINC000329544822	537638599	/nfs/dbraw/zinc/63/85/99/537638599.db2.gz	GIHZHERBLYBKTI-HNNXBMFYSA-N	1	0	364.515	1.691	20	30		FDEDRO
O=C(NC1CCC2(CC1)NC(=O)NC2=O)N1CC[C@H](C[NH+]2CCCC2)C1	ZINC000329711094	537642331	/nfs/dbraw/zinc/64/23/31/537642331.db2.gz	ODESTDNECNINAA-WRSVWVKZSA-N	1	0	363.462	1.884	20	30		FDEDRO
CC(C)[N@@H+]1CCCN(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)CC1	ZINC000329712889	537642474	/nfs/dbraw/zinc/64/24/74/537642474.db2.gz	QSAFWINQXWVXJA-UHFFFAOYSA-N	1	0	351.451	1.882	20	30		FDEDRO
CN1CCO[C@@H]2CN(C(=O)CNC(=O)Cc3cccc4ccccc43)C[C@H]21	ZINC000329923232	537646871	/nfs/dbraw/zinc/64/68/71/537646871.db2.gz	IICAFQJIUJHLJA-RTBURBONSA-N	1	0	367.449	1.880	20	30		FDEDRO
Cn1cc([NH+]=C([O-])N[C@H]2CCn3ccnc3C2)cc(Br)c1=O	ZINC000330232330	537652700	/nfs/dbraw/zinc/65/27/00/537652700.db2.gz	FKLZMTSGSLSOJL-VIFPVBQESA-N	1	0	366.219	1.685	20	30		FDEDRO
CC(C)(CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)N1CCS(=O)CC1	ZINC000330348471	537653951	/nfs/dbraw/zinc/65/39/51/537653951.db2.gz	ITIRGQJYKYAJNY-INIZCTEOSA-N	1	0	371.547	1.429	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Cc1c(C)nc(-c2cccnc2)[nH]c1=O	ZINC000294082973	537654183	/nfs/dbraw/zinc/65/41/83/537654183.db2.gz	WYHRODJTFLTFOW-UHFFFAOYSA-N	1	0	353.426	1.166	20	30		FDEDRO
Cc1nnsc1CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000291900071	537689261	/nfs/dbraw/zinc/68/92/61/537689261.db2.gz	KRRCTIUCVZFLCA-LLVKDONJSA-N	1	0	352.464	1.227	20	30		FDEDRO
COCC1(CNC(=[NH2+])NCc2ccc(OC)c(OC)c2)CCOCC1	ZINC000291995318	537697388	/nfs/dbraw/zinc/69/73/88/537697388.db2.gz	WUVYXIFIRQENGH-UHFFFAOYSA-N	1	0	351.447	1.551	20	30		FDEDRO
Cn1cc(C[NH2+]CCn2cnc(C#N)n2)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000285388659	537697672	/nfs/dbraw/zinc/69/76/72/537697672.db2.gz	DJTKVBDAOAVIAY-UHFFFAOYSA-N	1	0	352.358	1.248	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNS(=O)(=O)CC(C)(C)CC#N)ccn1	ZINC000295115896	537710585	/nfs/dbraw/zinc/71/05/85/537710585.db2.gz	ICQQIPJPPWXKLS-UHFFFAOYSA-N	1	0	354.476	1.381	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)NCC3([NH+](C)C)CCC3)CC2)c1C#N	ZINC000292541031	537743610	/nfs/dbraw/zinc/74/36/10/537743610.db2.gz	QDLZJWCOTUVRCG-UHFFFAOYSA-N	1	0	362.503	1.639	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc(-c4cccc(C#N)c4)no3)[C@H]2C1	ZINC000285730220	537751930	/nfs/dbraw/zinc/75/19/30/537751930.db2.gz	KJLOMDYCLFTNRV-IRXDYDNUSA-N	1	0	352.394	1.758	20	30		FDEDRO
CCOC(=O)C1(NC(=O)[C@@H](C)Oc2ccccc2C#N)CC[NH+](C)CC1	ZINC000371261370	537791537	/nfs/dbraw/zinc/79/15/37/537791537.db2.gz	XOZZBMCEAWTDPK-CQSZACIVSA-N	1	0	359.426	1.469	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CC(=O)NCc1cccc(C#N)c1	ZINC000371293900	537804981	/nfs/dbraw/zinc/80/49/81/537804981.db2.gz	IEZZQLJEKDABIW-CEXWTWQISA-N	1	0	356.470	1.358	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)CN1CCC(C)(C[NH+]2CCOCC2)CC1	ZINC000371374789	537824911	/nfs/dbraw/zinc/82/49/11/537824911.db2.gz	SDKJTLKKTLHLJZ-LJQANCHMSA-N	1	0	350.507	1.475	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(c2ccc(OCC[NH+](C)C)c(OC)c2)C1=O	ZINC000416405746	537829380	/nfs/dbraw/zinc/82/93/80/537829380.db2.gz	UZHJLQDWUNAVOE-CQSZACIVSA-N	1	0	363.414	1.263	20	30		FDEDRO
N#Cc1ccccc1N1CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)CC1	ZINC000414789710	537913544	/nfs/dbraw/zinc/91/35/44/537913544.db2.gz	YNLDSHLYRGRAFT-UHFFFAOYSA-N	1	0	363.421	1.304	20	30		FDEDRO
CN(C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[C@H]1C[NH2+]C[C@@H]1O	ZINC000414855241	537924825	/nfs/dbraw/zinc/92/48/25/537924825.db2.gz	WJBSMHPKCYERTH-RYUDHWBXSA-N	1	0	358.320	1.296	20	30		FDEDRO
CC[NH2+]Cc1cccc(NC(=O)C(=O)NCCOc2ccc(C#N)cc2)c1	ZINC000414877191	537927610	/nfs/dbraw/zinc/92/76/10/537927610.db2.gz	FRAMAVYWRDQQDH-UHFFFAOYSA-N	1	0	366.421	1.801	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C[NH3+])C2CC2)cc1	ZINC000414885539	537932748	/nfs/dbraw/zinc/93/27/48/537932748.db2.gz	BXWGKRYZOWGHLG-HNNXBMFYSA-N	1	0	352.460	1.352	20	30		FDEDRO
C[C@H](CNC(=O)[C@]1(C#N)CCc2ccccc2C1)C[NH+]1CCN(C)CC1	ZINC000367569773	537961094	/nfs/dbraw/zinc/96/10/94/537961094.db2.gz	KVUQXDGWRSGTAE-DYESRHJHSA-N	1	0	354.498	1.685	20	30		FDEDRO
CN(CC(=O)NC1(C#N)CCC1)C1CC[NH+](CCc2ccncc2)CC1	ZINC000368942851	537993008	/nfs/dbraw/zinc/99/30/08/537993008.db2.gz	ZNJIZZVBPQCXJR-UHFFFAOYSA-N	1	0	355.486	1.583	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1	ZINC000377721881	538005193	/nfs/dbraw/zinc/00/51/93/538005193.db2.gz	MVSPYJNRLKJQJI-NOLJZWGESA-N	1	0	365.861	1.748	20	30		FDEDRO
CC(C)[C@H]1CCc2c(C#N)c(NC(=O)C(=O)N[C@H]3CC[NH2+]C3)sc2C1	ZINC000415340326	538012819	/nfs/dbraw/zinc/01/28/19/538012819.db2.gz	WFVXHMCQDDPFLJ-RYUDHWBXSA-N	1	0	360.483	1.797	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H]1CCC[NH2+]C1	ZINC000415347463	538017966	/nfs/dbraw/zinc/01/79/66/538017966.db2.gz	DKXALHOQKGRNDW-ZYHUDNBSSA-N	1	0	366.368	1.602	20	30		FDEDRO
C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000415421774	538041486	/nfs/dbraw/zinc/04/14/86/538041486.db2.gz	VPKUSRKLXDNABR-SECBINFHSA-N	1	0	358.320	1.243	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)CC[NH2+]1	ZINC000415425593	538043114	/nfs/dbraw/zinc/04/31/14/538043114.db2.gz	CSWGQRMXUPJGKQ-LLVKDONJSA-N	1	0	355.423	1.441	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC[NH2+]1	ZINC000415431573	538045819	/nfs/dbraw/zinc/04/58/19/538045819.db2.gz	KJWRHXJIYKMGEZ-JTQLQIEISA-N	1	0	370.331	1.258	20	30		FDEDRO
CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000415432060	538045870	/nfs/dbraw/zinc/04/58/70/538045870.db2.gz	FLLWARWSGGCVSD-LBPRGKRZSA-N	1	0	353.220	1.359	20	30		FDEDRO
Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CNC(=O)c1cc(C#N)oc1C	ZINC000369721450	538054751	/nfs/dbraw/zinc/05/47/51/538054751.db2.gz	FIXXDPSHKIOTKU-UHFFFAOYSA-N	1	0	370.457	1.574	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1=O	ZINC000369755145	538060019	/nfs/dbraw/zinc/06/00/19/538060019.db2.gz	OGBBRNUNHVKEQP-WDSOQIARSA-N	1	0	370.497	1.935	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1=O	ZINC000369861203	538072140	/nfs/dbraw/zinc/07/21/40/538072140.db2.gz	FSYGOZQUUXUJFZ-GOSISDBHSA-N	1	0	371.485	1.474	20	30		FDEDRO
Cc1nc(CN2CCC[C@@H]([NH2+][C@@H](C)C(=O)Nc3cccc(C#N)c3)C2)no1	ZINC000370979859	538096374	/nfs/dbraw/zinc/09/63/74/538096374.db2.gz	QNDZBKKRCNOXBA-SUMWQHHRSA-N	1	0	368.441	1.831	20	30		FDEDRO
Cc1ccc(C(=O)NCC2([NH+](C)C)CCC2)cc1S(=O)(=O)NCC#N	ZINC000438518644	538119174	/nfs/dbraw/zinc/11/91/74/538119174.db2.gz	XFKIUBJAHVVZDX-UHFFFAOYSA-N	1	0	364.471	1.011	20	30		FDEDRO
COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N2CCC(C#N)CC2)cc1	ZINC000419888234	538131061	/nfs/dbraw/zinc/13/10/61/538131061.db2.gz	LMFQGJFLCDFHKA-QZTJIDSGSA-N	1	0	370.453	1.019	20	30		FDEDRO
Cc1c(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cnn1CC(C)C	ZINC000438760360	538132982	/nfs/dbraw/zinc/13/29/82/538132982.db2.gz	LBMKCPYSYXEVSZ-UHFFFAOYSA-N	1	0	362.478	1.480	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1	ZINC000419896816	538136776	/nfs/dbraw/zinc/13/67/76/538136776.db2.gz	QFSJAZHVQUTIKD-MSOLQXFVSA-N	1	0	359.470	1.682	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1	ZINC000419931510	538153248	/nfs/dbraw/zinc/15/32/48/538153248.db2.gz	CSTUGJHUCVKNKA-HNNXBMFYSA-N	1	0	360.414	1.368	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000432852625	538179936	/nfs/dbraw/zinc/17/99/36/538179936.db2.gz	GOXGAVUIYUFILJ-NSHDSACASA-N	1	0	358.261	1.693	20	30		FDEDRO
C[NH+](C)CC[C@](C)(O)CNC(=O)c1cnn(CCC#N)c1-c1ccccc1	ZINC000420003756	538184838	/nfs/dbraw/zinc/18/48/38/538184838.db2.gz	VPRXZIBSKFLSKJ-FQEVSTJZSA-N	1	0	369.469	1.896	20	30		FDEDRO
C[NH+](C)Cc1cccc(NC(=O)C(=O)NCCc2cccc(C#N)c2)c1	ZINC000440148406	538217851	/nfs/dbraw/zinc/21/78/51/538217851.db2.gz	ZPXIJFSDIRXXQA-UHFFFAOYSA-N	1	0	350.422	1.917	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)CC1	ZINC000422299140	538218693	/nfs/dbraw/zinc/21/86/93/538218693.db2.gz	TUQTZXXWFXBPJN-KRWDZBQOSA-N	1	0	374.460	1.287	20	30		FDEDRO
Cc1ccc(CNC(=O)C2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)cc1	ZINC000424112678	538236687	/nfs/dbraw/zinc/23/66/87/538236687.db2.gz	KYJKKGSNDUNCRE-SFHVURJKSA-N	1	0	356.470	1.871	20	30		FDEDRO
COc1cc(CN2CC[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C2)cc(OC)c1	ZINC000424150825	538245934	/nfs/dbraw/zinc/24/59/34/538245934.db2.gz	ZOSLDZARAPJQPV-QAPCUYQASA-N	1	0	360.458	1.415	20	30		FDEDRO
CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@H]1CN(Cc2ccccc2)CCO1	ZINC000424152208	538247028	/nfs/dbraw/zinc/24/70/28/538247028.db2.gz	JBVLDIBMBHVIHT-CEXWTWQISA-N	1	0	358.486	1.803	20	30		FDEDRO
COc1cc2c(cc1OC)CN(CCNC(=O)[C@H]([NH3+])CCCC#N)CC2	ZINC000424151112	538247397	/nfs/dbraw/zinc/24/73/97/538247397.db2.gz	HAJOIGXLIIHTFH-MRXNPFEDSA-N	1	0	360.458	1.199	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000424178466	538249517	/nfs/dbraw/zinc/24/95/17/538249517.db2.gz	WOSQUTVDYQTNBR-KBPBESRZSA-N	1	0	368.359	1.726	20	30		FDEDRO
C[C@@H]1CSC[C@H]1[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000560495648	545523903	/nfs/dbraw/zinc/52/39/03/545523903.db2.gz	HWYBEYZLZUONRK-RBSFLKMASA-N	1	0	364.540	1.798	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@](O)(C(F)F)C2)c(OC)c1	ZINC000451442466	538257040	/nfs/dbraw/zinc/25/70/40/538257040.db2.gz	WDLQTWZDFRYTJI-KDOFPFPSSA-N	1	0	357.397	1.865	20	30		FDEDRO
CC#CCCNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC	ZINC000440709654	538271291	/nfs/dbraw/zinc/27/12/91/538271291.db2.gz	JSHKOBYIKWEENK-UHFFFAOYSA-N	1	0	372.469	1.305	20	30		FDEDRO
COc1cc(C[NH2+]Cc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)ccc1C#N	ZINC000440829606	538285211	/nfs/dbraw/zinc/28/52/11/538285211.db2.gz	WGYMUXGWGPUUNG-HXUWFJFHSA-N	1	0	364.405	1.911	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H](CC[NH3+])C(F)F	ZINC000420471155	538302677	/nfs/dbraw/zinc/30/26/77/538302677.db2.gz	XXMHERYLDVLWEP-VIFPVBQESA-N	1	0	368.203	1.582	20	30		FDEDRO
N#Cc1cccc(CS(=O)(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)c1	ZINC000420471273	538303097	/nfs/dbraw/zinc/30/30/97/538303097.db2.gz	PIEFVJPCJDDUKP-ZWKOTPCHSA-N	1	0	359.426	1.954	20	30		FDEDRO
N#Cc1csc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)c1	ZINC000441382143	538325383	/nfs/dbraw/zinc/32/53/83/538325383.db2.gz	NICIOADDYBUCKM-UHFFFAOYSA-N	1	0	357.407	1.966	20	30		FDEDRO
COCCO[C@@H]1C[C@H](CO)C[N@H+](CCC(=O)Nc2sccc2C#N)C1	ZINC000447388636	538377145	/nfs/dbraw/zinc/37/71/45/538377145.db2.gz	XAUNYYUNRNBDBP-DZGCQCFKSA-N	1	0	367.471	1.294	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1	ZINC000448763951	538411415	/nfs/dbraw/zinc/41/14/15/538411415.db2.gz	PYDZZHSVGFQLNS-GXTWGEPZSA-N	1	0	360.845	1.632	20	30		FDEDRO
N#Cc1ccc([C@@H](Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)C(N)=O)cc1	ZINC000461090467	538502616	/nfs/dbraw/zinc/50/26/16/538502616.db2.gz	SXRLYSRSTMDSOK-RTBURBONSA-N	1	0	350.422	1.763	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CC[C@H]1CCCC[N@@H+]1C	ZINC000500938847	538581051	/nfs/dbraw/zinc/58/10/51/538581051.db2.gz	FUDSEGDMFDVSFT-HZPDHXFCSA-N	1	0	356.474	1.650	20	30		FDEDRO
C=CC[N@@H+](C[C@@H](C)CS(C)(=O)=O)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000466957438	538583851	/nfs/dbraw/zinc/58/38/51/538583851.db2.gz	HJLKZIYXRUJEAT-CABCVRRESA-N	1	0	363.487	1.892	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1	ZINC000472284568	538617409	/nfs/dbraw/zinc/61/74/09/538617409.db2.gz	LTFNPLMDYJBUHA-ZHALLVOQSA-N	1	0	352.523	1.862	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1	ZINC000483214534	538688173	/nfs/dbraw/zinc/68/81/73/538688173.db2.gz	XZMUYSDNWQQMTI-UHFFFAOYSA-N	1	0	371.485	1.897	20	30		FDEDRO
N#CC1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1	ZINC000478225912	538725841	/nfs/dbraw/zinc/72/58/41/538725841.db2.gz	WLFWGNHDPGVBKS-LJQANCHMSA-N	1	0	368.481	1.919	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CCC1	ZINC000474089739	538818960	/nfs/dbraw/zinc/81/89/60/538818960.db2.gz	PQVVMLYXYOSBIC-UHFFFAOYSA-N	1	0	363.483	1.978	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000489699731	538836868	/nfs/dbraw/zinc/83/68/68/538836868.db2.gz	HLXBVCAOZOTYTJ-KBRIMQKVSA-N	1	0	367.446	1.570	20	30		FDEDRO
C[C@H](C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)n1cnc(C#N)n1	ZINC000560760708	545596159	/nfs/dbraw/zinc/59/61/59/545596159.db2.gz	QMOZBOKOQUUEAT-OXQOHEQNSA-N	1	0	364.453	1.835	20	30		FDEDRO
CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)c1ccc(C#N)cn1	ZINC000561136196	545706132	/nfs/dbraw/zinc/70/61/32/545706132.db2.gz	DIKFTZWQYHPGMJ-UHFFFAOYSA-N	1	0	363.465	1.843	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@@H]2COc3ccccc32)CC1	ZINC000561412344	545836623	/nfs/dbraw/zinc/83/66/23/545836623.db2.gz	BZOSCEWVVDAMER-YOEHRIQHSA-N	1	0	357.454	1.434	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@@H](OCC)C23CCCC3)CC1	ZINC000561414791	545838531	/nfs/dbraw/zinc/83/85/31/545838531.db2.gz	ODMYPUPKYQNTRB-DLBZAZTESA-N	1	0	363.502	1.607	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1	ZINC000561743534	545942041	/nfs/dbraw/zinc/94/20/41/545942041.db2.gz	OUDMCHXANMLBRS-UHFFFAOYSA-N	1	0	351.491	1.418	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)CC1(C)COC1	ZINC000562313828	546089236	/nfs/dbraw/zinc/08/92/36/546089236.db2.gz	YRTGWNLNURQEGQ-UHFFFAOYSA-N	1	0	351.472	1.288	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)CC1	ZINC000562544950	546174013	/nfs/dbraw/zinc/17/40/13/546174013.db2.gz	GYMCORKQZPTQOA-ZSYWTGECSA-N	1	0	362.518	1.304	20	30		FDEDRO
C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCN(c3cnccc3C#N)CC2)C1	ZINC000562930058	546315669	/nfs/dbraw/zinc/31/56/69/546315669.db2.gz	ANIZWGUWIMYCJQ-IRXDYDNUSA-N	1	0	356.474	1.658	20	30		FDEDRO
C[C@@H](CN1CCC[C@H](C)C1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000562984189	546341407	/nfs/dbraw/zinc/34/14/07/546341407.db2.gz	ABBINCPZWGUFCT-GJZGRUSLSA-N	1	0	350.488	1.437	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1	ZINC000563114643	546412719	/nfs/dbraw/zinc/41/27/19/546412719.db2.gz	BEMBRHNDXGYSNO-IBGZPJMESA-N	1	0	368.481	1.846	20	30		FDEDRO
CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C(=O)N2CCC(CCC#N)CC2)CC1	ZINC000563140549	546422038	/nfs/dbraw/zinc/42/20/38/546422038.db2.gz	HBIYAHJZMCGTCV-KRWDZBQOSA-N	1	0	360.502	1.765	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+]	ZINC000563142415	546422651	/nfs/dbraw/zinc/42/26/51/546422651.db2.gz	OATMOHCMMRMBDL-SZMVWBNQSA-N	1	0	357.454	1.169	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H](SC)C2)CC1	ZINC000563322087	546487631	/nfs/dbraw/zinc/48/76/31/546487631.db2.gz	QKPRCAKBBBAXTN-MRXNPFEDSA-N	1	0	353.532	1.887	20	30		FDEDRO
Cc1ccccc1C[NH+]1CCC(NC(=O)Cn2cncc(C#N)c2=O)CC1	ZINC000563654711	546633012	/nfs/dbraw/zinc/63/30/12/546633012.db2.gz	GIGFUTXICFCVSH-UHFFFAOYSA-N	1	0	365.437	1.204	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1=O	ZINC000563974467	546761214	/nfs/dbraw/zinc/76/12/14/546761214.db2.gz	XLNBBCWDMOZWOQ-HOTGVXAUSA-N	1	0	351.516	1.449	20	30		FDEDRO
Cc1cc(C[NH2+]C[C@@H]2CCCCN2S(=O)(=O)N(C)C)ccc1C#N	ZINC000564135881	546819859	/nfs/dbraw/zinc/81/98/59/546819859.db2.gz	YLPBPGCWTWNKSZ-KRWDZBQOSA-N	1	0	350.488	1.617	20	30		FDEDRO
C=CCn1c(-c2ccoc2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1	ZINC000564380551	546896662	/nfs/dbraw/zinc/89/66/62/546896662.db2.gz	YYGGIYWIPZMAIG-QGZVFWFLSA-N	1	0	356.474	1.940	20	30		FDEDRO
COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)cc1F	ZINC000564403142	546903987	/nfs/dbraw/zinc/90/39/87/546903987.db2.gz	JKGUZKJXMSNTKP-UHFFFAOYSA-N	1	0	369.462	1.819	20	30		FDEDRO
CCC[C@@]1([NH2+]CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCOC1	ZINC000564554880	546951670	/nfs/dbraw/zinc/95/16/70/546951670.db2.gz	SCEHLSNOTCJOFW-GOSISDBHSA-N	1	0	361.446	1.052	20	30		FDEDRO
N#Cc1c(Cl)cccc1S(=O)(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2	ZINC000564966897	547132692	/nfs/dbraw/zinc/13/26/92/547132692.db2.gz	NBLDXKFDGQICLT-GFCCVEGCSA-N	1	0	369.874	1.588	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+][C@H](CO)Cc2ccc(O)cc2)cc1	ZINC000564977614	547138390	/nfs/dbraw/zinc/13/83/90/547138390.db2.gz	HOVRYIFMZVODEC-HKUYNNGSSA-N	1	0	356.422	1.391	20	30		FDEDRO
CC[C@H](CC#N)[NH2+]CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000565169422	547230925	/nfs/dbraw/zinc/23/09/25/547230925.db2.gz	AJPAZXUDJONSLS-OAHLLOKOSA-N	1	0	367.471	1.368	20	30		FDEDRO
CC[NH2+]CCCNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000565706264	547449840	/nfs/dbraw/zinc/44/98/40/547449840.db2.gz	RIXMRYJEKLRWDM-UHFFFAOYSA-N	1	0	350.422	1.536	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O	ZINC000565770400	547474150	/nfs/dbraw/zinc/47/41/50/547474150.db2.gz	SOQRRGBJBHODFJ-VAMGGRTRSA-N	1	0	363.477	1.695	20	30		FDEDRO
C[C@@H]1CN(Cc2ccc(C(=O)N[C@@](C)(C#N)CN(C)C)cc2)C[C@@H](C)O1	ZINC000565954291	547545673	/nfs/dbraw/zinc/54/56/73/547545673.db2.gz	LLDKBOZJAXOIND-QINHECLXSA-N	1	0	358.486	1.869	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)nc1	ZINC000566120236	547613303	/nfs/dbraw/zinc/61/33/03/547613303.db2.gz	HTTSQVIGKJVCLZ-INIZCTEOSA-N	1	0	374.441	1.735	20	30		FDEDRO
N#Cc1ccc(Br)c(CN2C(=O)N[C@]3(CCC[NH2+]C3)C2=O)c1	ZINC000566182824	547647462	/nfs/dbraw/zinc/64/74/62/547647462.db2.gz	KZPSRYRLFSBEKH-HNNXBMFYSA-N	1	0	363.215	1.495	20	30		FDEDRO
CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000566962903	547944671	/nfs/dbraw/zinc/94/46/71/547944671.db2.gz	SDUZITKZORHNRK-HOTGVXAUSA-N	1	0	357.458	1.894	20	30		FDEDRO
C[NH+](C)C1CCC(NC(=O)N2CCN(c3cnccc3C#N)CC2)CC1	ZINC000567342103	548084564	/nfs/dbraw/zinc/08/45/64/548084564.db2.gz	CUPIYRTWMUQJHN-UHFFFAOYSA-N	1	0	356.474	1.658	20	30		FDEDRO
CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000567353036	548088904	/nfs/dbraw/zinc/08/89/04/548088904.db2.gz	YCENOTOWANAIMH-HOCLYGCPSA-N	1	0	354.472	1.080	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000567692484	548216239	/nfs/dbraw/zinc/21/62/39/548216239.db2.gz	VHLZOWUFWTUREQ-DLBZAZTESA-N	1	0	359.449	1.462	20	30		FDEDRO
CC(C)n1ncc2c1C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)CC2	ZINC000567700410	548219279	/nfs/dbraw/zinc/21/92/79/548219279.db2.gz	LKMFQIDCWYYKNC-INIZCTEOSA-N	1	0	373.482	1.651	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC(CCC#N)CC2)CC1=O	ZINC000567738364	548237847	/nfs/dbraw/zinc/23/78/47/548237847.db2.gz	JNVDCBOSELUWCW-QZTJIDSGSA-N	1	0	360.502	1.862	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)cc1	ZINC000567787595	548258318	/nfs/dbraw/zinc/25/83/18/548258318.db2.gz	YJVFOPPIPMSUAE-HNNXBMFYSA-N	1	0	369.429	1.590	20	30		FDEDRO
CN(C)c1noc([C@@H]2CCC[N@H+](C[C@@H]3CNc4c(C#N)cnn4C3)C2)n1	ZINC000567889146	548310314	/nfs/dbraw/zinc/31/03/14/548310314.db2.gz	ZHWQEULBXMUVSR-QWHCGFSZSA-N	1	0	356.434	1.125	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)C[C@H]1c1ccccc1	ZINC000568095142	548396295	/nfs/dbraw/zinc/39/62/95/548396295.db2.gz	UNKZEYFWIRTZGO-MSOLQXFVSA-N	1	0	354.454	1.340	20	30		FDEDRO
C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C	ZINC000568840702	548697802	/nfs/dbraw/zinc/69/78/02/548697802.db2.gz	LFJLAVGXEPVEER-KBPBESRZSA-N	1	0	358.494	1.877	20	30		FDEDRO
C=CCn1c([C@H](C)CC)nnc1N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1	ZINC000569191111	548827389	/nfs/dbraw/zinc/82/73/89/548827389.db2.gz	IFRQCZQMYVVDNE-HZPDHXFCSA-N	1	0	360.506	1.768	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)Cc3ccc(F)cc3C#N)CC[C@H]21	ZINC000569426760	548912676	/nfs/dbraw/zinc/91/26/76/548912676.db2.gz	SZHCFSGWZORKHC-CXAGYDPISA-N	1	0	351.447	1.943	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]C1CCN(C(=O)CCc2ccccc2)CC1	ZINC000569474804	548931926	/nfs/dbraw/zinc/93/19/26/548931926.db2.gz	RANYZNFKFMNOBX-FQEVSTJZSA-N	1	0	372.513	1.406	20	30		FDEDRO
N#Cc1ccc(NC(=O)NC[C@@H]2C[NH2+]CCCO2)cc1Br	ZINC000569556991	548959002	/nfs/dbraw/zinc/95/90/02/548959002.db2.gz	XHHBAISLGHCNRA-LBPRGKRZSA-N	1	0	353.220	1.821	20	30		FDEDRO
CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000569568778	548962387	/nfs/dbraw/zinc/96/23/87/548962387.db2.gz	ONUUJHIZBDYHCP-JIYWGDOCSA-N	1	0	350.484	1.967	20	30		FDEDRO
CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000569568782	548962560	/nfs/dbraw/zinc/96/25/60/548962560.db2.gz	ONUUJHIZBDYHCP-OJJCSPDDSA-N	1	0	350.484	1.967	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)C[C@@H]2CCCC[C@@H]2O)CC1	ZINC000569996144	549123536	/nfs/dbraw/zinc/12/35/36/549123536.db2.gz	IGZLPSFPEZFDBL-RDJZCZTQSA-N	1	0	351.491	1.153	20	30		FDEDRO
COc1cc(CNC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)ccc1C#N	ZINC000570061748	549146109	/nfs/dbraw/zinc/14/61/09/549146109.db2.gz	ASZZHNJQIHZNRX-UHFFFAOYSA-N	1	0	364.405	1.467	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@]2(CCC)COC)CC1	ZINC000570185927	549188947	/nfs/dbraw/zinc/18/89/47/549188947.db2.gz	OUENBHXCVVPOIA-LJQANCHMSA-N	1	0	351.491	1.561	20	30		FDEDRO
Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]([C@H](C)C(=O)NC3(C#N)CCC3)C2)nc1	ZINC000570334553	549242585	/nfs/dbraw/zinc/24/25/85/549242585.db2.gz	IMVHXVPNHAEMQN-HZPDHXFCSA-N	1	0	369.469	1.992	20	30		FDEDRO
N#Cc1c(N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)nc2cc(Cl)ccn21	ZINC000570429553	549276430	/nfs/dbraw/zinc/27/64/30/549276430.db2.gz	PCWFZVAZPLFDBZ-CYBMUJFWSA-N	1	0	372.860	1.508	20	30		FDEDRO
C=CCCCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1	ZINC000570719611	549388341	/nfs/dbraw/zinc/38/83/41/549388341.db2.gz	WDUWRCGNCXAVHC-IRXDYDNUSA-N	1	0	351.491	1.343	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)n1	ZINC000571028162	549498218	/nfs/dbraw/zinc/49/82/18/549498218.db2.gz	FZHJIGJFYMQBFB-STQMWFEESA-N	1	0	354.389	1.956	20	30		FDEDRO
C[C@@H]1CN(C[C@@H](O)C[NH2+]CCSCc2ccccc2C#N)C[C@@H](C)O1	ZINC000571396480	549629017	/nfs/dbraw/zinc/62/90/17/549629017.db2.gz	FQCLLBLZWXSJGJ-MDZRGWNJSA-N	1	0	363.527	1.851	20	30		FDEDRO
CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CCN(c2cccc(C#N)n2)CC1	ZINC000572227658	549869069	/nfs/dbraw/zinc/86/90/69/549869069.db2.gz	MKQPOUZLVOZAEH-INIZCTEOSA-N	1	0	356.474	1.563	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2ccc3ccccc3n2)CC1	ZINC000572373138	549900096	/nfs/dbraw/zinc/90/00/96/549900096.db2.gz	VOXSCZUFDNSPJQ-UHFFFAOYSA-N	1	0	366.465	1.660	20	30		FDEDRO
COC(=O)c1cccc(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)c1	ZINC000572475481	549922551	/nfs/dbraw/zinc/92/25/51/549922551.db2.gz	FQNFPXFIYATFOX-UHFFFAOYSA-N	1	0	372.446	1.951	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2OCCN(C(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)[C@H]2C1	ZINC000572748690	549987044	/nfs/dbraw/zinc/98/70/44/549987044.db2.gz	JOZIIVYAANIOLY-ZWKOTPCHSA-N	1	0	372.469	1.530	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1	ZINC000572872168	550014610	/nfs/dbraw/zinc/01/46/10/550014610.db2.gz	MVUSIWWCUJLEPT-UHFFFAOYSA-N	1	0	360.458	1.123	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCc2ccc(CC#N)cc2)CC1	ZINC000572956265	550031600	/nfs/dbraw/zinc/03/16/00/550031600.db2.gz	RFTARURCPXMXBZ-UHFFFAOYSA-N	1	0	371.485	1.495	20	30		FDEDRO
COC1CCN(C(C)(C)C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000573317870	550110183	/nfs/dbraw/zinc/11/01/83/550110183.db2.gz	ZEWABNPLPLZOAV-QGZVFWFLSA-N	1	0	361.486	1.777	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH2+]C1CCN(S(C)(=O)=O)CC1	ZINC000573597064	550173320	/nfs/dbraw/zinc/17/33/20/550173320.db2.gz	WJTSBMOISJFEKN-QGZVFWFLSA-N	1	0	368.499	1.168	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1C#N	ZINC000574465085	550318507	/nfs/dbraw/zinc/31/85/07/550318507.db2.gz	AJXFTRBANRKPRZ-DLBZAZTESA-N	1	0	364.471	1.169	20	30		FDEDRO
CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)NCc2ccc(CC#N)cc2)CC1	ZINC000574571460	550335155	/nfs/dbraw/zinc/33/51/55/550335155.db2.gz	MXJDITMCZWCIFK-UHFFFAOYSA-N	1	0	370.497	1.949	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC[C@@H]1[NH2+]CCCC1(C)C	ZINC000574740866	550362204	/nfs/dbraw/zinc/36/22/04/550362204.db2.gz	RACZTYKDXDSQNH-HNNXBMFYSA-N	1	0	367.457	2.347	20	30		FDEDRO
C=CCn1c([C@H]2CCOC2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C	ZINC000574961412	550399696	/nfs/dbraw/zinc/39/96/96/550399696.db2.gz	CRPAWKRDIOHIIL-CVEARBPZSA-N	1	0	361.490	1.658	20	30		FDEDRO
C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)C1	ZINC000575372682	550458685	/nfs/dbraw/zinc/45/86/85/550458685.db2.gz	RBEVBQUXKDLFRO-CQSZACIVSA-N	1	0	358.417	1.826	20	30		FDEDRO
C[NH+](C)CCCC1CCN(C(=O)C(=O)NCc2ccc(CC#N)cc2)CC1	ZINC000575987441	550498728	/nfs/dbraw/zinc/49/87/28/550498728.db2.gz	VQYWYIQJCDTINH-UHFFFAOYSA-N	1	0	370.497	1.949	20	30		FDEDRO
CC[NH+](CC)CCS(=O)(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1	ZINC000576388228	550543370	/nfs/dbraw/zinc/54/33/70/550543370.db2.gz	KABPJEXRQXYVHK-GOSISDBHSA-N	1	0	364.515	1.368	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3[NH2+]CCCC3(C)C)CC2)c1C#N	ZINC000576730367	550579905	/nfs/dbraw/zinc/57/99/05/550579905.db2.gz	KBQIZSIEGCWLTL-INIZCTEOSA-N	1	0	373.505	1.210	20	30		FDEDRO
CC[C@@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)c1ccco1	ZINC000576772743	550584629	/nfs/dbraw/zinc/58/46/29/550584629.db2.gz	SPIBQOKVPACMKX-OCCSQVGLSA-N	1	0	355.398	1.730	20	30		FDEDRO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCOC[C@@H](O)C3)sc2C1	ZINC000576791065	550585968	/nfs/dbraw/zinc/58/59/68/550585968.db2.gz	WMVQOGHCLCBCKW-STQMWFEESA-N	1	0	363.483	1.766	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@H](C)[C@H](OC)C1)C(C)C	ZINC000577205407	550631994	/nfs/dbraw/zinc/63/19/94/550631994.db2.gz	CRUCVUUNXXZYKB-RCCFBDPRSA-N	1	0	365.518	1.685	20	30		FDEDRO
CC(C)Oc1ccc([C@H](CNC(=O)[C@H](C)n2cnc(C#N)n2)[NH+](C)C)cc1	ZINC000577547464	550668334	/nfs/dbraw/zinc/66/83/34/550668334.db2.gz	NOGKHAYBWTVKOF-YOEHRIQHSA-N	1	0	370.457	1.917	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1	ZINC000577705083	550685181	/nfs/dbraw/zinc/68/51/81/550685181.db2.gz	CJJPFSAZORGAJL-INIZCTEOSA-N	1	0	356.474	1.517	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1	ZINC000577806037	550696368	/nfs/dbraw/zinc/69/63/68/550696368.db2.gz	VQMKXVORNAXOLU-AWEZNQCLSA-N	1	0	353.488	1.609	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCCO2)cc1C(F)(F)F	ZINC000577845628	550701065	/nfs/dbraw/zinc/70/10/65/550701065.db2.gz	WNHYHRJLECYWFB-LLVKDONJSA-N	1	0	363.361	1.234	20	30		FDEDRO
C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](C)N1CCOCC1	ZINC000578498991	550770099	/nfs/dbraw/zinc/77/00/99/550770099.db2.gz	ANSXCKXMUJILGT-HUUCEWRRSA-N	1	0	351.472	1.031	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1	ZINC000578625754	550784219	/nfs/dbraw/zinc/78/42/19/550784219.db2.gz	KFECZQZGHKJGPP-GOSISDBHSA-N	1	0	354.454	1.456	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCOc2ccc(F)c(F)c2)nc1	ZINC000578997051	550824426	/nfs/dbraw/zinc/82/44/26/550824426.db2.gz	CKKBGTXZKCDWBB-UHFFFAOYSA-N	1	0	367.377	1.674	20	30		FDEDRO
CN1CC[NH+](CC2(C)CCN(C(=O)Nc3cccc(C#N)n3)CC2)CC1	ZINC000579004705	550825231	/nfs/dbraw/zinc/82/52/31/550825231.db2.gz	NGASBXYTBMSGPT-UHFFFAOYSA-N	1	0	356.474	1.835	20	30		FDEDRO
N#C[C@H]1N(CC(=O)NC2CC[NH+](C3CC3)CC2)CCC[C@@]12CCCCO2	ZINC000579077380	550832458	/nfs/dbraw/zinc/83/24/58/550832458.db2.gz	RMRGJPHGVIPKGA-QUCCMNQESA-N	1	0	360.502	1.657	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)n1	ZINC000579449916	550874229	/nfs/dbraw/zinc/87/42/29/550874229.db2.gz	PCBZKRDPZSMCAN-CYBMUJFWSA-N	1	0	354.389	2.241	20	30		FDEDRO
Cc1nc2ccccn2c(=O)c1CC[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000579888178	550920218	/nfs/dbraw/zinc/92/02/18/550920218.db2.gz	LQIKXNRXJFVYFS-UHFFFAOYSA-N	1	0	365.441	1.287	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])CC2)c1C#N	ZINC000580053381	550937907	/nfs/dbraw/zinc/93/79/07/550937907.db2.gz	ABXHCHDVVDJVBL-UKRRQHHQSA-N	1	0	362.503	1.672	20	30		FDEDRO
COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000580261740	550960075	/nfs/dbraw/zinc/96/00/75/550960075.db2.gz	VKTVMGMGEUANOM-UHFFFAOYSA-N	1	0	365.499	1.821	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO	ZINC000582532075	551237237	/nfs/dbraw/zinc/23/72/37/551237237.db2.gz	YZZKROPMGRDABU-OKYOBFRVSA-N	1	0	359.470	1.512	20	30		FDEDRO
C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CCCO1	ZINC000582541733	551238882	/nfs/dbraw/zinc/23/88/82/551238882.db2.gz	GQYSHSBXGBMYAT-MJGOQNOKSA-N	1	0	361.486	1.583	20	30		FDEDRO
Cc1ccc(C(=O)NCC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)cc1	ZINC000582618735	551248638	/nfs/dbraw/zinc/24/86/38/551248638.db2.gz	HOQJYZINIATKMI-SFHVURJKSA-N	1	0	353.422	1.626	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]CCOc1cccc(Br)c1	ZINC000582899899	551278922	/nfs/dbraw/zinc/27/89/22/551278922.db2.gz	QQIRROUAIZMHIT-AWEZNQCLSA-N	1	0	356.264	1.624	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)cc1	ZINC000583380605	551342839	/nfs/dbraw/zinc/34/28/39/551342839.db2.gz	SFAIRQRZVMHPQA-UHFFFAOYSA-N	1	0	354.454	1.456	20	30		FDEDRO
CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cnc(C(F)(F)F)c(C#N)c1	ZINC000583390378	551344513	/nfs/dbraw/zinc/34/45/13/551344513.db2.gz	PFAJGINGBSKRPB-ZDUSSCGKSA-N	1	0	358.364	1.795	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1	ZINC000583451314	551353843	/nfs/dbraw/zinc/35/38/43/551353843.db2.gz	RCCBQRKQFNYMOH-UHFFFAOYSA-N	1	0	351.491	1.420	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](CNCCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000583688526	551387716	/nfs/dbraw/zinc/38/77/16/551387716.db2.gz	NLTVPFSWVNOGNC-INIZCTEOSA-N	1	0	350.488	1.294	20	30		FDEDRO
CC1CC[NH+](CCNC(=O)N2CCN(c3cnccc3C#N)CC2)CC1	ZINC000584267518	551472391	/nfs/dbraw/zinc/47/23/91/551472391.db2.gz	MGPDAERRMRFFHW-UHFFFAOYSA-N	1	0	356.474	1.517	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NCC[C@H]3CCC[NH2+]C3)CC2)c(F)c1	ZINC000584459383	551500056	/nfs/dbraw/zinc/50/00/56/551500056.db2.gz	DJDIZHKSAXWLBC-OAHLLOKOSA-N	1	0	359.449	1.919	20	30		FDEDRO
CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)CC1	ZINC000585700947	551583875	/nfs/dbraw/zinc/58/38/75/551583875.db2.gz	DBQITJNDKOQONT-OAHLLOKOSA-N	1	0	356.470	1.972	20	30		FDEDRO
CC[C@H](CNC(=O)C(=O)N1CCC(C#N)CC1)[N@@H+]1CCc2ccccc2C1	ZINC000585716409	551586708	/nfs/dbraw/zinc/58/67/08/551586708.db2.gz	XZPHMOGRZSBGQP-LJQANCHMSA-N	1	0	368.481	1.702	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1)c1cccc(C#N)c1	ZINC000585776122	551597605	/nfs/dbraw/zinc/59/76/05/551597605.db2.gz	GEYLUOCQWMKOKE-MRXNPFEDSA-N	1	0	364.449	1.984	20	30		FDEDRO
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H](C)CC[NH+](C)C	ZINC000586812007	551621420	/nfs/dbraw/zinc/62/14/20/551621420.db2.gz	KOBACPXTMZNPFV-MRXNPFEDSA-N	1	0	358.486	1.999	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c(F)c1	ZINC000586864070	551627556	/nfs/dbraw/zinc/62/75/56/551627556.db2.gz	JJSCWSLKNUIQOT-KRWDZBQOSA-N	1	0	372.444	1.790	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1cccc(C#N)c1	ZINC000587664654	551633219	/nfs/dbraw/zinc/63/32/19/551633219.db2.gz	JECQLXIJZPNPRP-YJBOKZPZSA-N	1	0	368.481	1.926	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCC(=O)NCC#N	ZINC000588077618	551644715	/nfs/dbraw/zinc/64/47/15/551644715.db2.gz	RTCPVZHUEGZGMK-HNNXBMFYSA-N	1	0	358.442	1.309	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)n1	ZINC000588351830	551668452	/nfs/dbraw/zinc/66/84/52/551668452.db2.gz	YWGIGBDSVXAWAS-QGZVFWFLSA-N	1	0	367.457	1.676	20	30		FDEDRO
C[N@H+](Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2cncc(C#N)c2)C1	ZINC000589281242	551722875	/nfs/dbraw/zinc/72/28/75/551722875.db2.gz	MMHYANKIRRDZOT-KRWDZBQOSA-N	1	0	356.451	1.848	20	30		FDEDRO
COc1cc(CNC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)ccc1C#N	ZINC000589612540	551738058	/nfs/dbraw/zinc/73/80/58/551738058.db2.gz	VNXZHFBDRFTIFJ-KRWDZBQOSA-N	1	0	371.485	1.535	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CCN(C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)C2)nc1	ZINC000589886852	551749332	/nfs/dbraw/zinc/74/93/32/551749332.db2.gz	KJBDEZDEPFTYLX-SJORKVTESA-N	1	0	355.442	1.600	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)[C@H]2C1	ZINC000589930182	551752862	/nfs/dbraw/zinc/75/28/62/551752862.db2.gz	TYTFYOHBHMCTEW-YGRLFVJLSA-N	1	0	359.373	1.902	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)c1	ZINC000590202303	551764827	/nfs/dbraw/zinc/76/48/27/551764827.db2.gz	CGRIRTATHIYYJJ-UHFFFAOYSA-N	1	0	374.485	1.970	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1	ZINC000590204193	551764927	/nfs/dbraw/zinc/76/49/27/551764927.db2.gz	TZCOUQYPDOBVTN-SFHVURJKSA-N	1	0	369.469	1.179	20	30		FDEDRO
N#Cc1cccc(OCCCCC(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)c1	ZINC000590549698	551790831	/nfs/dbraw/zinc/79/08/31/551790831.db2.gz	NTOLXYQWCVBKPD-ZWKOTPCHSA-N	1	0	357.454	1.775	20	30		FDEDRO
CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000590976144	551831539	/nfs/dbraw/zinc/83/15/39/551831539.db2.gz	RXZWHLKPRMNCBH-UHFFFAOYSA-N	1	0	372.469	1.338	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)CC2)C1	ZINC000591063117	551840608	/nfs/dbraw/zinc/84/06/08/551840608.db2.gz	SEUBVGUZBISJIT-HSALFYBXSA-N	1	0	352.482	1.900	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1	ZINC000591073871	551841797	/nfs/dbraw/zinc/84/17/97/551841797.db2.gz	NZLBRSYPUJADER-ZWKOTPCHSA-N	1	0	364.559	1.896	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3cccc(C[NH3+])c3)C2)nc1	ZINC000591288307	551856368	/nfs/dbraw/zinc/85/63/68/551856368.db2.gz	MBBXMDHVPMKVQB-INIZCTEOSA-N	1	0	365.393	1.030	20	30		FDEDRO
N#Cc1cccc(-c2csc(NC(=O)C(=O)NC[C@H]3CCCC[NH2+]3)n2)c1	ZINC000591292171	551857169	/nfs/dbraw/zinc/85/71/69/551857169.db2.gz	BUHIYMIQWHLGMJ-CQSZACIVSA-N	1	0	369.450	1.879	20	30		FDEDRO
N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NC[C@H]3CCC[NH2+]3)cn2)c1	ZINC000591294630	551857340	/nfs/dbraw/zinc/85/73/40/551857340.db2.gz	WPYCZNQYWOCOGT-CQSZACIVSA-N	1	0	365.393	1.552	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1	ZINC000591297455	551857932	/nfs/dbraw/zinc/85/79/32/551857932.db2.gz	CHVIJYXNSLXINO-BJJXKVORSA-N	1	0	368.416	2.474	20	30		FDEDRO
CC1([NH3+])CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1	ZINC000591303656	551858885	/nfs/dbraw/zinc/85/88/85/551858885.db2.gz	ZPSCDGVQHWUPRA-UHFFFAOYSA-N	1	0	365.231	1.599	20	30		FDEDRO
CC[C@H]1CN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC[C@H]1[NH3+]	ZINC000591304104	551859130	/nfs/dbraw/zinc/85/91/30/551859130.db2.gz	NLJQKAWEEVEAFG-XJKSGUPXSA-N	1	0	358.442	1.870	20	30		FDEDRO
CC[C@@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)CC[C@H]1[NH3+]	ZINC000591304225	551859415	/nfs/dbraw/zinc/85/94/15/551859415.db2.gz	UKJRFKIWQRRXGJ-HUUCEWRRSA-N	1	0	374.441	1.108	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1F	ZINC000591308358	551860098	/nfs/dbraw/zinc/86/00/98/551860098.db2.gz	UEJHCYHUXMDAKN-CABCVRRESA-N	1	0	358.417	1.874	20	30		FDEDRO
CC(C)[C@H]([NH3+])CCN(C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000591350553	551864900	/nfs/dbraw/zinc/86/49/00/551864900.db2.gz	NHNOWCSWCNHNQC-QGZVFWFLSA-N	1	0	358.490	1.937	20	30		FDEDRO
N#CC1CCC(CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1	ZINC000591357766	551865576	/nfs/dbraw/zinc/86/55/76/551865576.db2.gz	DRVDABVRJUWGOA-RUXDESIVSA-N	1	0	361.412	1.452	20	30		FDEDRO
CC(C)C[C@H](C[NH3+])NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000591359645	551865985	/nfs/dbraw/zinc/86/59/85/551865985.db2.gz	ZMOGYHPJTGBLKS-CQSZACIVSA-N	1	0	360.462	1.629	20	30		FDEDRO
C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000591360293	551866169	/nfs/dbraw/zinc/86/61/69/551866169.db2.gz	INIRQUULICMZSE-GXTWGEPZSA-N	1	0	358.446	1.253	20	30		FDEDRO
CCc1nn(C)c(OC)c1C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000591758203	551906610	/nfs/dbraw/zinc/90/66/10/551906610.db2.gz	BAZZLEKBSHRFJG-OAHLLOKOSA-N	1	0	358.442	1.587	20	30		FDEDRO
CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)[C@@]12CCCO2	ZINC000591760127	551906753	/nfs/dbraw/zinc/90/67/53/551906753.db2.gz	OTGUQHQCBQXQIK-FFGOWVMKSA-N	1	0	360.454	1.809	20	30		FDEDRO
Cn1ccnc1[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CCO1	ZINC000591771112	551907576	/nfs/dbraw/zinc/90/75/76/551907576.db2.gz	HBDLAVQQOLQKJH-NUJGCVRESA-N	1	0	356.426	1.541	20	30		FDEDRO
COc1cc(OC)cc([C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c2nccn2C)c1	ZINC000591967303	551921529	/nfs/dbraw/zinc/92/15/29/551921529.db2.gz	KURXZDQJKFDFTJ-DLBZAZTESA-N	1	0	371.441	1.664	20	30		FDEDRO
N#CC[C@]1(O)CCN(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C1	ZINC000591973877	551922547	/nfs/dbraw/zinc/92/25/47/551922547.db2.gz	GGKAZSIDCIRNLO-FQEVSTJZSA-N	1	0	372.469	1.203	20	30		FDEDRO
C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[C@](O)(CC#N)C2)CC1	ZINC000591992411	551924300	/nfs/dbraw/zinc/92/43/00/551924300.db2.gz	LSFCMOQLPFNVBA-DNVCBOLYSA-N	1	0	357.458	1.667	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2c(C)oc(C)c2S(N)(=O)=O)CC1	ZINC000592075574	551936557	/nfs/dbraw/zinc/93/65/57/551936557.db2.gz	MQQYLTUKKHEIPL-UHFFFAOYSA-N	1	0	355.460	1.314	20	30		FDEDRO
C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@](O)(CC#N)C1	ZINC000592148919	551949675	/nfs/dbraw/zinc/94/96/75/551949675.db2.gz	FFGQCGJWVDDDEL-LAUBAEHRSA-N	1	0	370.497	1.506	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](C(=O)NCc2ccccc2)C1	ZINC000592156243	551951288	/nfs/dbraw/zinc/95/12/88/551951288.db2.gz	VNXXLSHXSHQLJY-FXAWDEMLSA-N	1	0	356.470	1.679	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1	ZINC000592359220	551984196	/nfs/dbraw/zinc/98/41/96/551984196.db2.gz	USGZZFZLVZFTSF-UHFFFAOYSA-N	1	0	372.425	1.113	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[NH2+]2)cc1Br	ZINC000592367831	551984949	/nfs/dbraw/zinc/98/49/49/551984949.db2.gz	ZNEIHMZBFSDDBD-LLVKDONJSA-N	1	0	358.261	1.741	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CCO1	ZINC000592373984	551985663	/nfs/dbraw/zinc/98/56/63/551985663.db2.gz	FXDORDOMZRKWNN-ZANVPECISA-N	1	0	374.260	1.057	20	30		FDEDRO
N#CCCC1CCN(C(=O)C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CC1	ZINC000592427709	551993794	/nfs/dbraw/zinc/99/37/94/551993794.db2.gz	SBVUFCBGXJKLAF-HNNXBMFYSA-N	1	0	355.442	1.378	20	30		FDEDRO
CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1	ZINC000592432509	551994533	/nfs/dbraw/zinc/99/45/33/551994533.db2.gz	NZVGBWLIOQUBMV-GOEBONIOSA-N	1	0	354.472	1.080	20	30		FDEDRO
C=CCc1cc(C(=O)N2CCC[NH2+]C[C@H]2C(=O)OC)cc(OC)c1OC	ZINC000592547312	552007135	/nfs/dbraw/zinc/00/71/35/552007135.db2.gz	FKHCPWKBLSSFPN-HNNXBMFYSA-N	1	0	362.426	1.409	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCOC2(CC[NH+](C)CC2)C1	ZINC000592898402	552040509	/nfs/dbraw/zinc/04/05/09/552040509.db2.gz	HMLUYECTSUSEPH-UHFFFAOYSA-N	1	0	359.426	1.269	20	30		FDEDRO
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)[C@H]2CCc3cncn3C2)CC1	ZINC000592947122	552047009	/nfs/dbraw/zinc/04/70/09/552047009.db2.gz	QZXSVADJJRHBGR-QFBILLFUSA-N	1	0	367.428	1.994	20	30		FDEDRO
CCN1CCN(C(=O)c2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc2)CC1	ZINC000592957579	552048716	/nfs/dbraw/zinc/04/87/16/552048716.db2.gz	PEBSHQCBDFPSGR-QGZVFWFLSA-N	1	0	357.458	1.424	20	30		FDEDRO
C=CCOCC[NH+]1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1	ZINC000593044458	552055684	/nfs/dbraw/zinc/05/56/84/552055684.db2.gz	MHSBXJCLTYYKQZ-HNNXBMFYSA-N	1	0	352.475	1.844	20	30		FDEDRO
C[C@H](CCO)[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000593109223	552063488	/nfs/dbraw/zinc/06/34/88/552063488.db2.gz	XFRARCBBHYZNNV-CABCVRRESA-N	1	0	350.488	1.160	20	30		FDEDRO
C[NH+](C)CCN1CCN(c2c(C#N)cnc3c(F)cc(F)cc32)CC1=O	ZINC000593486496	552115985	/nfs/dbraw/zinc/11/59/85/552115985.db2.gz	ZKQLQDWXNMYONR-UHFFFAOYSA-N	1	0	359.380	1.595	20	30		FDEDRO
C[C@]1(C(N)=O)CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000593514213	552120419	/nfs/dbraw/zinc/12/04/19/552120419.db2.gz	TYYUHGKEPRYAAN-FQEVSTJZSA-N	1	0	369.469	1.430	20	30		FDEDRO
C[C@@H]1C[C@H](O)CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000593516866	552121144	/nfs/dbraw/zinc/12/11/44/552121144.db2.gz	OEOVQKPUURDDSD-BEFAXECRSA-N	1	0	356.470	1.935	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCC[N@H+](C)C1CCCC1	ZINC000593545234	552129033	/nfs/dbraw/zinc/12/90/33/552129033.db2.gz	VKLBIEQLGULQSW-UHFFFAOYSA-N	1	0	365.455	1.498	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1	ZINC000593606324	552150380	/nfs/dbraw/zinc/15/03/80/552150380.db2.gz	QPXMNUTUFWFQCQ-CQSZACIVSA-N	1	0	365.455	1.448	20	30		FDEDRO
COCCN1CCN(S(=O)(=O)c2cccc(CC#N)c2)C(C)(C)C1	ZINC000593658866	552166136	/nfs/dbraw/zinc/16/61/36/552166136.db2.gz	WYWSBFVRBQRQKL-UHFFFAOYSA-N	1	0	351.472	1.484	20	30		FDEDRO
C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC2(C#N)CCCC2)cc1	ZINC000593672606	552170774	/nfs/dbraw/zinc/17/07/74/552170774.db2.gz	UOOKZBMPNPGOLN-UHFFFAOYSA-N	1	0	358.442	1.766	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1F	ZINC000593766108	552194235	/nfs/dbraw/zinc/19/42/35/552194235.db2.gz	DFYRMPAIZYDWKW-JJRVBVJISA-N	1	0	374.416	1.381	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1	ZINC000593768230	552194551	/nfs/dbraw/zinc/19/45/51/552194551.db2.gz	XEYOGEOOXWQNRB-ZMSDIMECSA-N	1	0	356.426	1.242	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000593767864	552194673	/nfs/dbraw/zinc/19/46/73/552194673.db2.gz	WCJOGGFSCPEEEG-XYJFISCASA-N	1	0	370.453	1.550	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)C(=O)NCCC3(C[NH3+])CC3)CC2)cc1	ZINC000593772214	552195570	/nfs/dbraw/zinc/19/55/70/552195570.db2.gz	LNIUNWABJIRXBC-UHFFFAOYSA-N	1	0	370.453	1.173	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCC1CC[NH2+]CC1	ZINC000593784121	552196659	/nfs/dbraw/zinc/19/66/59/552196659.db2.gz	NNSAUIDTXRQYOB-UHFFFAOYSA-N	1	0	356.470	1.803	20	30		FDEDRO
CC(C)(C)C(=O)NCC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593884048	552216930	/nfs/dbraw/zinc/21/69/30/552216930.db2.gz	SKQGRCHXQONOHA-UHFFFAOYSA-N	1	0	356.470	1.801	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593932622	552228842	/nfs/dbraw/zinc/22/88/42/552228842.db2.gz	NTUKDWUXWNKDCU-UHFFFAOYSA-N	1	0	366.465	1.839	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000594027064	552240830	/nfs/dbraw/zinc/24/08/30/552240830.db2.gz	LBEDMYGSPCVANE-YESZJQIVSA-N	1	0	372.469	1.081	20	30		FDEDRO
C[C@@H](CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)N1C[C@@H](C)O[C@@H](C)C1	ZINC000594100389	552248827	/nfs/dbraw/zinc/24/88/27/552248827.db2.gz	YSBARDMVJMEANR-GGXPGOJBSA-N	1	0	354.454	1.854	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1C#N	ZINC000594312483	552285155	/nfs/dbraw/zinc/28/51/55/552285155.db2.gz	RMZDUYSORLYXOB-KFWWJZLASA-N	1	0	358.442	1.419	20	30		FDEDRO
COc1cccc(CC(=O)N2CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC2)c1	ZINC000594430989	552308586	/nfs/dbraw/zinc/30/85/86/552308586.db2.gz	FEIBYNAMCNDKNP-SFHVURJKSA-N	1	0	372.469	1.320	20	30		FDEDRO
COc1cc(C(=O)N2CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC2)ccc1C	ZINC000594429849	552308692	/nfs/dbraw/zinc/30/86/92/552308692.db2.gz	XEUGYKRSAODPJS-QGZVFWFLSA-N	1	0	372.469	1.699	20	30		FDEDRO
C[C@@](NC(=O)[C@H]([NH3+])CCCCC#N)(C(N)=O)c1cccc(C(F)(F)F)c1	ZINC000594433324	552309312	/nfs/dbraw/zinc/30/93/12/552309312.db2.gz	NPRFWKISJMAHQN-CJNGLKHVSA-N	1	0	370.375	1.933	20	30		FDEDRO
CN(CCN1CCN(c2ccccc2)CC1)C(=O)[C@H]([NH3+])CCCCC#N	ZINC000594438499	552310179	/nfs/dbraw/zinc/31/01/79/552310179.db2.gz	JGWOTRABSLSOAW-LJQANCHMSA-N	1	0	357.502	1.678	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)NCc1nc2cc(Br)cnc2[nH]1	ZINC000594438535	552310258	/nfs/dbraw/zinc/31/02/58/552310258.db2.gz	JXNVEPSYWMVRAQ-JTQLQIEISA-N	1	0	365.235	1.748	20	30		FDEDRO
N#Cc1ccc(C2(NC(=O)c3cn([C@H]4CCC[NH2+]C4)nn3)CCC2)cc1	ZINC000594450809	552313269	/nfs/dbraw/zinc/31/32/69/552313269.db2.gz	UGROYEWHAZKMKO-INIZCTEOSA-N	1	0	350.426	1.883	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H]([NH2+]C3CCN([C@@H]4CCOC4)CC3)C2=O)cc1	ZINC000594500292	552326746	/nfs/dbraw/zinc/32/67/46/552326746.db2.gz	MGXZNVRZDWZNEJ-WOJBJXKFSA-N	1	0	368.481	1.502	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1	ZINC000594524646	552327621	/nfs/dbraw/zinc/32/76/21/552327621.db2.gz	LALGVFLUWVETIY-NSHDSACASA-N	1	0	372.351	1.145	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000594625527	552344629	/nfs/dbraw/zinc/34/46/29/552344629.db2.gz	KJAZDQRJGJXKTA-QZTJIDSGSA-N	1	0	354.454	1.650	20	30		FDEDRO
N#Cc1cc(Cl)cc(Br)c1N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1	ZINC000594700756	552358640	/nfs/dbraw/zinc/35/86/40/552358640.db2.gz	AELKZFMBXDSKGW-JQWIXIFHSA-N	1	0	369.650	1.722	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1	ZINC000594799628	552389511	/nfs/dbraw/zinc/38/95/11/552389511.db2.gz	NSOUDGXZGAOJPR-ZDUSSCGKSA-N	1	0	365.455	1.496	20	30		FDEDRO
Cc1cnn(C)c1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000594955882	552426472	/nfs/dbraw/zinc/42/64/72/552426472.db2.gz	GKPCGBCHYHGFNX-UHFFFAOYSA-N	1	0	368.441	1.129	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1	ZINC000595075804	552445182	/nfs/dbraw/zinc/44/51/82/552445182.db2.gz	YYCKOJDQOIDLEH-CQSZACIVSA-N	1	0	358.442	1.742	20	30		FDEDRO
C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CCC[C@H](CC#N)C2)c1	ZINC000595085514	552447539	/nfs/dbraw/zinc/44/75/39/552447539.db2.gz	JTYNWTORBUQPIB-OAHLLOKOSA-N	1	0	358.442	1.718	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N1CC2CC1(C[NH3+])C2	ZINC000595117493	552456315	/nfs/dbraw/zinc/45/63/15/552456315.db2.gz	DZALHADJUAINNL-UHFFFAOYSA-N	1	0	356.245	1.433	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1	ZINC000595228271	552498208	/nfs/dbraw/zinc/49/82/08/552498208.db2.gz	NTZJBRRWXACGKG-UHFFFAOYSA-N	1	0	356.386	1.621	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)NCC34CC(C3)C[NH2+]4)n2)c(Cl)c1	ZINC000595230170	552498961	/nfs/dbraw/zinc/49/89/61/552498961.db2.gz	ALWLEFSVXQXZPE-UHFFFAOYSA-N	1	0	356.817	2.271	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)ccc1F	ZINC000595230404	552499079	/nfs/dbraw/zinc/49/90/79/552499079.db2.gz	ZQJXMNHEUMXHKG-UHFFFAOYSA-N	1	0	358.417	1.874	20	30		FDEDRO
N#CCCN(CC1CC1)C(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1	ZINC000595238558	552501881	/nfs/dbraw/zinc/50/18/81/552501881.db2.gz	FPMGJEDVIUMWGG-QGZVFWFLSA-N	1	0	356.426	1.438	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C	ZINC000595241570	552503231	/nfs/dbraw/zinc/50/32/31/552503231.db2.gz	AZUUQJPEFYFRGC-CQSZACIVSA-N	1	0	362.430	1.012	20	30		FDEDRO
COC(=O)[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccccc1Br	ZINC000595255731	552506117	/nfs/dbraw/zinc/50/61/17/552506117.db2.gz	AYVPWAKYVJCKQI-QWHCGFSZSA-N	1	0	368.231	1.801	20	30		FDEDRO
C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@@H](C)c2cccc(C#N)c2)CC1	ZINC000595263347	552507523	/nfs/dbraw/zinc/50/75/23/552507523.db2.gz	VEDYNDKGSQPZAS-HNNXBMFYSA-N	1	0	371.485	1.909	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)c1cccc(C#N)c1	ZINC000595278124	552510791	/nfs/dbraw/zinc/51/07/91/552510791.db2.gz	CUGLJGSMUXEEMJ-DNVCBOLYSA-N	1	0	368.481	1.974	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccc(C#N)cc1	ZINC000595279826	552511366	/nfs/dbraw/zinc/51/13/66/552511366.db2.gz	WGZUBTFYWNEVDP-BEFAXECRSA-N	1	0	368.481	1.974	20	30		FDEDRO
CO[C@H](C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@H]1CCOC1	ZINC000595355837	552535095	/nfs/dbraw/zinc/53/50/95/552535095.db2.gz	RRGCZFSEFATRSS-WMLDXEAASA-N	1	0	372.425	1.980	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2C(=O)OC)C1	ZINC000595356060	552535514	/nfs/dbraw/zinc/53/55/14/552535514.db2.gz	USOULZOIEWAASL-CYBMUJFWSA-N	1	0	351.428	1.107	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)CCO1	ZINC000595405764	552552036	/nfs/dbraw/zinc/55/20/36/552552036.db2.gz	ZSTUUFCSBHQFDY-CQSZACIVSA-N	1	0	371.890	1.943	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCc1ccc(C#N)cc1	ZINC000595552147	552583254	/nfs/dbraw/zinc/58/32/54/552583254.db2.gz	OJCOTLJGZJGKDO-SFHVURJKSA-N	1	0	371.485	1.343	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)c1	ZINC000595595070	552590111	/nfs/dbraw/zinc/59/01/11/552590111.db2.gz	BVORRQINFYXCSE-LJQANCHMSA-N	1	0	357.454	1.332	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@H](Cn4ccnn4)C3)C2=O)cc1	ZINC000595605773	552591349	/nfs/dbraw/zinc/59/13/49/552591349.db2.gz	GAFLTNOJSFDPOY-WMZOPIPTSA-N	1	0	350.426	1.667	20	30		FDEDRO
N#CC[C@H]1CCCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1	ZINC000595610282	552591994	/nfs/dbraw/zinc/59/19/94/552591994.db2.gz	VPDSILKUFQMRDA-GOSISDBHSA-N	1	0	362.518	1.763	20	30		FDEDRO
CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@H](CC#N)C2)cc1	ZINC000595609105	552592246	/nfs/dbraw/zinc/59/22/46/552592246.db2.gz	GJWKADVCRQNYQV-OAHLLOKOSA-N	1	0	351.472	1.941	20	30		FDEDRO
CC(C)([NH2+]CC(=O)N1CCN(c2cnccn2)CC1)c1cccc(C#N)c1	ZINC000595633481	552595640	/nfs/dbraw/zinc/59/56/40/552595640.db2.gz	SQZBHAJSOFQEPW-UHFFFAOYSA-N	1	0	364.453	1.522	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H]2Cc3ccccc3[C@@H]2C)CC1	ZINC000595703845	552604774	/nfs/dbraw/zinc/60/47/74/552604774.db2.gz	ADRGLCWSOCJHLU-PWIZWCRZSA-N	1	0	354.498	1.997	20	30		FDEDRO
CN(C)C(=O)CCC[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595731017	552608055	/nfs/dbraw/zinc/60/80/55/552608055.db2.gz	FZTUATHTSIOZBR-UHFFFAOYSA-N	1	0	366.469	1.939	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C1	ZINC000595808053	552618366	/nfs/dbraw/zinc/61/83/66/552618366.db2.gz	RTHHIPSTHUAQKY-HUUCEWRRSA-N	1	0	357.462	1.053	20	30		FDEDRO
CCOC(=O)CC1([NH2+]CC(=O)NCc2cccc(C#N)c2)CCOCC1	ZINC000595874374	552627210	/nfs/dbraw/zinc/62/72/10/552627210.db2.gz	SGKWTVSXJLUIDI-UHFFFAOYSA-N	1	0	359.426	1.266	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1	ZINC000595907792	552631599	/nfs/dbraw/zinc/63/15/99/552631599.db2.gz	YLRKDEFAKDTMHM-OALUTQOASA-N	1	0	356.470	1.706	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(CCS(=O)(=O)c2ccc(C#N)cc2)CCO1	ZINC000595906345	552631661	/nfs/dbraw/zinc/63/16/61/552631661.db2.gz	JTTKBBVXNQORDW-QGZVFWFLSA-N	1	0	365.499	1.375	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1	ZINC000595960206	552638984	/nfs/dbraw/zinc/63/89/84/552638984.db2.gz	KUQJNCIZQTWYCU-QRVBRYPASA-N	1	0	356.470	1.509	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CCN(C(=O)CC4([NH3+])CC4)CC3)n[nH]2)cc1	ZINC000595966474	552639621	/nfs/dbraw/zinc/63/96/21/552639621.db2.gz	HCDZAXQNMKVZPE-UHFFFAOYSA-N	1	0	350.426	1.478	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CCN(C(=O)[C@H]([NH3+])CC(F)F)CC3)n[nH]2)cc1	ZINC000595969387	552640053	/nfs/dbraw/zinc/64/00/53/552640053.db2.gz	FCSLVPWDZHYBPL-CQSZACIVSA-N	1	0	374.395	1.579	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CCN(C(=O)C[NH2+]C4CC4)CC3)n[nH]2)cc1	ZINC000595971790	552640586	/nfs/dbraw/zinc/64/05/86/552640586.db2.gz	SBUAXFWKELUTKZ-UHFFFAOYSA-N	1	0	350.426	1.349	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1	ZINC000596066628	552651833	/nfs/dbraw/zinc/65/18/33/552651833.db2.gz	UOQONFBNDMFJBV-QGZVFWFLSA-N	1	0	363.483	1.175	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1	ZINC000596067338	552651845	/nfs/dbraw/zinc/65/18/45/552651845.db2.gz	ZIWSZJKEYNRGFA-OALUTQOASA-N	1	0	359.470	1.335	20	30		FDEDRO
CCc1nc(C#N)cc(NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)n1	ZINC000596158760	552660713	/nfs/dbraw/zinc/66/07/13/552660713.db2.gz	JCBBNUWLXNYCHI-UHFFFAOYSA-N	1	0	358.490	1.949	20	30		FDEDRO
CCc1nc(C#N)cc(N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)n1	ZINC000596166178	552661312	/nfs/dbraw/zinc/66/13/12/552661312.db2.gz	QJRMKJLKKSAYRD-SJLPKXTDSA-N	1	0	351.454	2.206	20	30		FDEDRO
N#Cc1cc(Br)cnc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC000596539262	552687135	/nfs/dbraw/zinc/68/71/35/552687135.db2.gz	NRQYVAYCJLLBPR-AWEZNQCLSA-N	1	0	351.248	1.751	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c2ncnn21	ZINC000596687940	552701626	/nfs/dbraw/zinc/70/16/26/552701626.db2.gz	GBUAFCHXLDKENC-WMLDXEAASA-N	1	0	367.457	1.929	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC[C@H](C)[NH+](C)C)cc1	ZINC000596877454	552720623	/nfs/dbraw/zinc/72/06/23/552720623.db2.gz	SPXHHPQAZOSKSE-STQMWFEESA-N	1	0	352.460	1.834	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1	ZINC000596879549	552720793	/nfs/dbraw/zinc/72/07/93/552720793.db2.gz	BZMWKTDLKPTEIX-OALUTQOASA-N	1	0	355.486	1.890	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H](CC(=O)OCC)C(F)(F)F)CC1	ZINC000597008912	552734199	/nfs/dbraw/zinc/73/41/99/552734199.db2.gz	GXCYINADTZWRNY-GFCCVEGCSA-N	1	0	351.369	1.820	20	30		FDEDRO
C[NH+](C)Cc1cccc(CNC(=O)C(=O)NCC2(C#N)CCCCC2)c1	ZINC000597202475	552759935	/nfs/dbraw/zinc/75/99/35/552759935.db2.gz	CFYALISIDSAQHH-UHFFFAOYSA-N	1	0	356.470	1.955	20	30		FDEDRO
C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCCCCC#N)C1	ZINC000597258313	552766070	/nfs/dbraw/zinc/76/60/70/552766070.db2.gz	ZRJXOAZOVWBLAC-SFHVURJKSA-N	1	0	356.470	1.572	20	30		FDEDRO
C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)Cc1cccc(C#N)c1	ZINC000597389770	552783084	/nfs/dbraw/zinc/78/30/84/552783084.db2.gz	UYJJIRSCLWBGSJ-INIZCTEOSA-N	1	0	356.470	1.753	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCC2(C#N)CCCCC2)C[C@H](C)O1	ZINC000597401491	552784457	/nfs/dbraw/zinc/78/44/57/552784457.db2.gz	TXEALDPIZUPHEY-IYBDPMFKSA-N	1	0	364.490	1.192	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]2C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cc1	ZINC000597623887	552813632	/nfs/dbraw/zinc/81/36/32/552813632.db2.gz	DALYNAFZRPGWAG-OALUTQOASA-N	1	0	353.470	1.033	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cc1	ZINC000597623888	552813706	/nfs/dbraw/zinc/81/37/06/552813706.db2.gz	DALYNAFZRPGWAG-RBUKOAKNSA-N	1	0	353.470	1.033	20	30		FDEDRO
Cn1cc(CCC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)nn1	ZINC000597820508	552836436	/nfs/dbraw/zinc/83/64/36/552836436.db2.gz	OFDBHQCKMSZZEM-UHFFFAOYSA-N	1	0	352.442	1.400	20	30		FDEDRO
CCN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@H]1CC[N@H+](C)C1	ZINC000597944443	552849070	/nfs/dbraw/zinc/84/90/70/552849070.db2.gz	CPHUDHKSHDKHRQ-HNNXBMFYSA-N	1	0	364.471	1.045	20	30		FDEDRO
CCN(C(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[C@H]1CC[N@H+](CC)C1	ZINC000598040864	552859464	/nfs/dbraw/zinc/85/94/64/552859464.db2.gz	IAYMNQTVLLAMIP-KRWDZBQOSA-N	1	0	352.442	1.882	20	30		FDEDRO
C[C@@H](C(=O)NCC1CC[NH+](Cc2ccncc2)CC1)n1cnc(C#N)n1	ZINC000598064151	552862405	/nfs/dbraw/zinc/86/24/05/552862405.db2.gz	MGWOVHJMYWICRT-AWEZNQCLSA-N	1	0	353.430	1.134	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CCO1	ZINC000598540331	552907322	/nfs/dbraw/zinc/90/73/22/552907322.db2.gz	NZMFVSPTPIUFSZ-HNAYVOBHSA-N	1	0	367.490	1.817	20	30		FDEDRO
CCc1cnc(CN(C(C)=O)[C@H]2CC[N@H+](C[C@H](O)CC(C)(C)C#N)C2)o1	ZINC000598596523	552913105	/nfs/dbraw/zinc/91/31/05/552913105.db2.gz	SIGSSKWNWTZSPV-JKSUJKDBSA-N	1	0	362.474	1.961	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1	ZINC000598602083	552913953	/nfs/dbraw/zinc/91/39/53/552913953.db2.gz	HKVHPVWRZWPIES-JKSUJKDBSA-N	1	0	357.520	1.614	20	30		FDEDRO
C[C@@H]1[C@H](C)[N@H+](C[C@H](O)CC(C)(C)C#N)CCN1C[C@@H](O)CC(C)(C)C#N	ZINC000598628477	552918041	/nfs/dbraw/zinc/91/80/41/552918041.db2.gz	OGIDHGDBWBYWMP-FZDBZEDMSA-N	1	0	364.534	1.983	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)CN1C(=O)N[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1=O	ZINC000598702651	552926986	/nfs/dbraw/zinc/92/69/86/552926986.db2.gz	WUQDYQPNUHPYML-OXJNMPFZSA-N	1	0	370.453	1.484	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[NH2+]C[C@]1(CO)COCCN1Cc1ccccc1	ZINC000598729049	552928511	/nfs/dbraw/zinc/92/85/11/552928511.db2.gz	GZIBNVOVZAAHGM-ICSRJNTNSA-N	1	0	361.486	1.140	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@]1(CO)COCCN1Cc1ccccc1	ZINC000598729051	552928558	/nfs/dbraw/zinc/92/85/58/552928558.db2.gz	GZIBNVOVZAAHGM-QUCCMNQESA-N	1	0	361.486	1.140	20	30		FDEDRO
C[NH+](C)CC(C)(C)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O	ZINC000598739346	552929834	/nfs/dbraw/zinc/92/98/34/552929834.db2.gz	BNMCTADYDIRQBA-OAHLLOKOSA-N	1	0	371.441	1.220	20	30		FDEDRO
C[NH2+]CCOCCN(C)S(=O)(=O)c1sc2ccc(C#N)cc2c1C	ZINC000599108954	552968904	/nfs/dbraw/zinc/96/89/04/552968904.db2.gz	XAICHJYXKLHFCP-UHFFFAOYSA-N	1	0	367.496	1.938	20	30		FDEDRO
C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1	ZINC000599240279	552998391	/nfs/dbraw/zinc/99/83/91/552998391.db2.gz	XHPXMGCNJVXDOJ-KRWDZBQOSA-N	1	0	370.505	1.461	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)CCOCC1	ZINC000599297828	553019325	/nfs/dbraw/zinc/01/93/25/553019325.db2.gz	PTBVCKYQRVOYGI-IRXDYDNUSA-N	1	0	369.469	1.980	20	30		FDEDRO
COC(=O)C[C@H]1CSCC[N@@H+]1C[C@@H](O)COc1ccccc1C#N	ZINC000599308882	553022326	/nfs/dbraw/zinc/02/23/26/553022326.db2.gz	CIOJSGPZXSIKMV-LSDHHAIUSA-N	1	0	350.440	1.278	20	30		FDEDRO
CC(C)([NH2+]C[C@H](O)COc1ccccc1C#N)C(=O)NCC1CCCC1	ZINC000599340872	553032386	/nfs/dbraw/zinc/03/23/86/553032386.db2.gz	AHWDGKODSMOWRN-KRWDZBQOSA-N	1	0	359.470	1.973	20	30		FDEDRO
N#Cc1cccc(N2CC[NH+](C[C@@H](O)CC3(C#N)CCOCC3)CC2)n1	ZINC000599361615	553036496	/nfs/dbraw/zinc/03/64/96/553036496.db2.gz	UZVOWXLLJMSTJS-KRWDZBQOSA-N	1	0	355.442	1.147	20	30		FDEDRO
C[C@H]1COCCN1C1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1	ZINC000599424284	553054029	/nfs/dbraw/zinc/05/40/29/553054029.db2.gz	MJBQATYFULZRQO-FUHWJXTLSA-N	1	0	351.491	1.243	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)CCOCC1	ZINC000599440156	553057150	/nfs/dbraw/zinc/05/71/50/553057150.db2.gz	LYVMZALKYISENW-QZTJIDSGSA-N	1	0	366.502	1.605	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C	ZINC000599442207	553058373	/nfs/dbraw/zinc/05/83/73/553058373.db2.gz	QOAYTZHVDXTHEC-AEFFLSMTSA-N	1	0	364.515	1.967	20	30		FDEDRO
COC(=O)[C@@H]1CC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)[C@H]2CCC[C@@H]21	ZINC000599645375	553112165	/nfs/dbraw/zinc/11/21/65/553112165.db2.gz	FDSVUOWVOWUHHC-VQHPVUNQSA-N	1	0	350.459	1.721	20	30		FDEDRO
COC(=O)[C@H]1C[N@H+](C[C@H](O)CC2(C#N)CCOCC2)Cc2ccccc21	ZINC000599676756	553119460	/nfs/dbraw/zinc/11/94/60/553119460.db2.gz	GTRVDMRRTUOHBB-AEFFLSMTSA-N	1	0	358.438	1.830	20	30		FDEDRO
COc1cc(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(F)cc1C#N	ZINC000599818116	553154829	/nfs/dbraw/zinc/15/48/29/553154829.db2.gz	UGNDREZOVKEBAY-HOTGVXAUSA-N	1	0	362.405	1.769	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c(F)c1	ZINC000599899933	553171009	/nfs/dbraw/zinc/17/10/09/553171009.db2.gz	NIRFEBPEPMYSEF-MNOVXSKESA-N	1	0	372.322	1.622	20	30		FDEDRO
CC(C)[C@H]1C[NH2+]CCN1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000599908378	553172451	/nfs/dbraw/zinc/17/24/51/553172451.db2.gz	QZVZCWYCUDWTDH-QGZVFWFLSA-N	1	0	356.474	1.561	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@@H]2C)c(F)cc1C#N	ZINC000599932621	553176394	/nfs/dbraw/zinc/17/63/94/553176394.db2.gz	XJCSLKWVDIZBDR-LBPRGKRZSA-N	1	0	362.405	1.635	20	30		FDEDRO
C[NH2+]CCOCCNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000599934018	553176691	/nfs/dbraw/zinc/17/66/91/553176691.db2.gz	AVCCXUUADJNQOL-UHFFFAOYSA-N	1	0	364.421	1.486	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(OC)c(C#N)cc2F)C1	ZINC000599937750	553178567	/nfs/dbraw/zinc/17/85/67/553178567.db2.gz	JQUYHALAABBXAN-GFCCVEGCSA-N	1	0	362.405	1.493	20	30		FDEDRO
Cc1nc(SCC(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)c(C#N)c(C)c1C	ZINC000599938079	553178578	/nfs/dbraw/zinc/17/85/78/553178578.db2.gz	LQZOQISJSOYOFA-HOTGVXAUSA-N	1	0	374.510	1.638	20	30		FDEDRO
N#Cc1cc(Br)ccc1C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1	ZINC000599940137	553180031	/nfs/dbraw/zinc/18/00/31/553180031.db2.gz	LNNWELLWNQEXQS-KGLIPLIRSA-N	1	0	364.243	1.602	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1	ZINC000599943081	553180481	/nfs/dbraw/zinc/18/04/81/553180481.db2.gz	ASZQVTPWBOVDSA-WDEREUQCSA-N	1	0	353.410	1.008	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cc(OC)c(C#N)cc1F	ZINC000599970189	553189082	/nfs/dbraw/zinc/18/90/82/553189082.db2.gz	FWQSSZNVJLZKHL-KGLIPLIRSA-N	1	0	374.416	1.730	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]Cc1cccnc1N1CCOCC1	ZINC000600717167	553306295	/nfs/dbraw/zinc/30/62/95/553306295.db2.gz	JMYXTYJUINXFMH-GOSISDBHSA-N	1	0	368.437	1.319	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]Cc1cccnc1N1CCOCC1	ZINC000600717168	553306414	/nfs/dbraw/zinc/30/64/14/553306414.db2.gz	JMYXTYJUINXFMH-SFHVURJKSA-N	1	0	368.437	1.319	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCCS(=O)(=O)c1ccccc1	ZINC000600719008	553306804	/nfs/dbraw/zinc/30/68/04/553306804.db2.gz	BRTDORWSRSQTLR-KRWDZBQOSA-N	1	0	374.462	1.752	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]CCNC(=O)Cc1cccc(F)c1	ZINC000600724336	553307492	/nfs/dbraw/zinc/30/74/92/553307492.db2.gz	SJHCTLTXIIZVRY-GOSISDBHSA-N	1	0	371.412	1.386	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)CC1	ZINC000600726546	553308046	/nfs/dbraw/zinc/30/80/46/553308046.db2.gz	HLSDMZAROLVFCJ-JTQLQIEISA-N	1	0	363.892	1.324	20	30		FDEDRO
CN(C)C1(C[NH2+]C[C@@H](O)COc2ccccc2C#N)Cc2ccccc2C1	ZINC000600726388	553308119	/nfs/dbraw/zinc/30/81/19/553308119.db2.gz	SQESEGLNXGDNID-HXUWFJFHSA-N	1	0	365.477	1.987	20	30		FDEDRO
CCOC(=O)c1csc(CC[NH2+]C[C@H](O)CC2(C#N)CCOCC2)n1	ZINC000600734416	553308926	/nfs/dbraw/zinc/30/89/26/553308926.db2.gz	PBEKWLONNHQWJN-CYBMUJFWSA-N	1	0	367.471	1.523	20	30		FDEDRO
Cc1cc(N2CCC([NH2+]C[C@H](O)CC3(C#N)CCOCC3)CC2)nc(C)n1	ZINC000600731432	553308945	/nfs/dbraw/zinc/30/89/45/553308945.db2.gz	XHIRGLHFMXSPGA-GOSISDBHSA-N	1	0	373.501	1.723	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H](CO)Cc1c[nH]c2ccccc12	ZINC000600742205	553309843	/nfs/dbraw/zinc/30/98/43/553309843.db2.gz	IYYYLLMRZYOOES-QZTJIDSGSA-N	1	0	365.433	1.972	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]CCCN2C(=O)c3ccccc3C2=O)CCOCC1	ZINC000600743114	553310092	/nfs/dbraw/zinc/31/00/92/553310092.db2.gz	ZQVPRPAJIXIXMV-HNNXBMFYSA-N	1	0	371.437	1.334	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]Cc1cnc(C(F)(F)F)nc1	ZINC000600749765	553310924	/nfs/dbraw/zinc/31/09/24/553310924.db2.gz	RLMHYDCNITZSIF-ZDUSSCGKSA-N	1	0	352.316	1.897	20	30		FDEDRO
N#Cc1ccc(OCc2ccc(C(=O)NCC[N@H+]3CC[C@H](O)C3)o2)cc1	ZINC000600809219	553317189	/nfs/dbraw/zinc/31/71/89/553317189.db2.gz	WOUCRFARDWFFRM-HNNXBMFYSA-N	1	0	355.394	1.527	20	30		FDEDRO
C[NH2+]C1(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCC1	ZINC000600824785	553319318	/nfs/dbraw/zinc/31/93/18/553319318.db2.gz	PMOAOQPLCAGJST-HNNXBMFYSA-N	1	0	369.425	1.022	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2ccccc2CC#N)cc1	ZINC000601041177	553342992	/nfs/dbraw/zinc/34/29/92/553342992.db2.gz	VIHGLUFJUQRUPS-UHFFFAOYSA-N	1	0	364.449	1.974	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)COc2ccc(Br)cn2)CC1	ZINC000601042955	553343264	/nfs/dbraw/zinc/34/32/64/553343264.db2.gz	OMOXUUIJVVOWOD-UHFFFAOYSA-N	1	0	353.220	1.327	20	30		FDEDRO
CC[NH+]1CCN(c2ccccc2NC(=O)N2CCN(CCC#N)CC2)CC1	ZINC000601257272	553365192	/nfs/dbraw/zinc/36/51/92/553365192.db2.gz	NCVVXLIGVYNMIO-UHFFFAOYSA-N	1	0	370.501	1.892	20	30		FDEDRO
C[NH+](C)CC1CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1	ZINC000601423635	553402131	/nfs/dbraw/zinc/40/21/31/553402131.db2.gz	FKWAJJXAGRRZBQ-UHFFFAOYSA-N	1	0	358.261	1.503	20	30		FDEDRO
N#CCc1cccc(S(=O)(=O)N2CCC([N@@H+]3CCCOCC3)CC2)c1	ZINC000601440584	553406486	/nfs/dbraw/zinc/40/64/86/553406486.db2.gz	UCFZWEOMYPZLGM-UHFFFAOYSA-N	1	0	363.483	1.628	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNS(=O)(=O)N(C)CCC#N	ZINC000601482385	553417104	/nfs/dbraw/zinc/41/71/04/553417104.db2.gz	UISGOQFCJQGKEC-DOTOQJQBSA-N	1	0	350.488	1.434	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000601482376	553417173	/nfs/dbraw/zinc/41/71/73/553417173.db2.gz	UDZDZXLWICIAGS-SJLPKXTDSA-N	1	0	364.515	1.824	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(N2CCCC2=O)cn1	ZINC000601922610	553493704	/nfs/dbraw/zinc/49/37/04/553493704.db2.gz	MYSTYEDFUONXSA-UHFFFAOYSA-N	1	0	358.446	1.908	20	30		FDEDRO
C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)Nc3cc(F)cc(C#N)c3)C2)CC1	ZINC000602028229	553503669	/nfs/dbraw/zinc/50/36/69/553503669.db2.gz	AHAKRRAGLNMWKN-HNNXBMFYSA-N	1	0	358.417	1.826	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(C#N)cc1	ZINC000602230241	553543515	/nfs/dbraw/zinc/54/35/15/553543515.db2.gz	LIWVRTBNSDFEFV-KBXCAEBGSA-N	1	0	354.454	1.869	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(C#N)c1	ZINC000602245042	553547261	/nfs/dbraw/zinc/54/72/61/553547261.db2.gz	ZZUJLECCTGQIIN-KDOFPFPSSA-N	1	0	354.454	1.869	20	30		FDEDRO
N#CC1(CNC(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)CCCCC1	ZINC000602523499	553598134	/nfs/dbraw/zinc/59/81/34/553598134.db2.gz	YWDDLVPBELQARN-NSHDSACASA-N	1	0	352.389	1.954	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C	ZINC000602527271	553599304	/nfs/dbraw/zinc/59/93/04/553599304.db2.gz	NRZYORYDXNSAPK-IAGOWNOFSA-N	1	0	350.507	1.618	20	30		FDEDRO
N#Cc1cccc(CNCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)n1	ZINC000602546644	553604093	/nfs/dbraw/zinc/60/40/93/553604093.db2.gz	DQBPXAYVSSCLJI-SFHVURJKSA-N	1	0	363.465	1.940	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1	ZINC000602575241	553607568	/nfs/dbraw/zinc/60/75/68/553607568.db2.gz	PPQANTNUMZCCIR-DNVCBOLYSA-N	1	0	357.454	1.943	20	30		FDEDRO
C[C@@H](CC1(C#N)CCOCC1)Nc1cnn(CC(=O)NCC[NH+](C)C)c1	ZINC000602612372	553611377	/nfs/dbraw/zinc/61/13/77/553611377.db2.gz	IPOMITFZDHJCOT-HNNXBMFYSA-N	1	0	362.478	1.072	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCC(=O)NC(=O)NCc2ccccc2)C[C@H](C)N1CC#N	ZINC000602855550	553651973	/nfs/dbraw/zinc/65/19/73/553651973.db2.gz	IAAQZTINHVPAGQ-IYBDPMFKSA-N	1	0	357.458	1.321	20	30		FDEDRO
C[NH+](C)C[C@@]1(O)CCCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000602888643	553661057	/nfs/dbraw/zinc/66/10/57/553661057.db2.gz	ABAUDTPXNHAQAY-KRWDZBQOSA-N	1	0	350.850	1.539	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@](O)(C[NH+](C)C)C2)c1	ZINC000602891386	553662575	/nfs/dbraw/zinc/66/25/75/553662575.db2.gz	LVVYYLHJZCHPRE-NRFANRHFSA-N	1	0	372.513	1.939	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1	ZINC000602922730	553670026	/nfs/dbraw/zinc/67/00/26/553670026.db2.gz	CRKXOVGUWMOFFZ-DUXKGJEZSA-N	1	0	368.433	1.616	20	30		FDEDRO
COC[C@@](C)(CO)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1	ZINC000602932581	553672872	/nfs/dbraw/zinc/67/28/72/553672872.db2.gz	QCNJCRWIMVFOOI-HXUWFJFHSA-N	1	0	370.453	1.891	20	30		FDEDRO
Cc1nnc(N2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)n1C	ZINC000602945516	553676412	/nfs/dbraw/zinc/67/64/12/553676412.db2.gz	XIZPEOSCGXNUFG-UHFFFAOYSA-N	1	0	353.430	1.146	20	30		FDEDRO
CCOC(=O)c1nnn(C2CC[NH+](CCOCCC#N)CC2)c1C(F)F	ZINC000602968375	553682998	/nfs/dbraw/zinc/68/29/98/553682998.db2.gz	DEZJBZXLWSQQHB-UHFFFAOYSA-N	1	0	371.388	1.960	20	30		FDEDRO
C=C(C)[C@H](CO)[NH+]1CCC(n2nnc(C(=O)OCC)c2C(F)F)CC1	ZINC000602968452	553683435	/nfs/dbraw/zinc/68/34/35/553683435.db2.gz	GRXFEGCROCUDOT-LBPRGKRZSA-N	1	0	358.389	1.966	20	30		FDEDRO
N#Cc1cc(F)cc(NC(=O)N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c1	ZINC000603070068	553705865	/nfs/dbraw/zinc/70/58/65/553705865.db2.gz	GARGPTCLYSWVMA-INIZCTEOSA-N	1	0	359.405	1.516	20	30		FDEDRO
CN(CCC[NH3+])Cc1cn(Cc2ccc(C#N)cc2Br)nn1	ZINC000603243820	553741046	/nfs/dbraw/zinc/74/10/46/553741046.db2.gz	OZHDNZFJOVRFPL-UHFFFAOYSA-N	1	0	363.263	1.741	20	30		FDEDRO
N#Cc1ccc(NC[C@H]2CCCN2CC(F)F)c(CS(N)(=O)=O)c1	ZINC000603411543	553782138	/nfs/dbraw/zinc/78/21/38/553782138.db2.gz	DJWUYKKTKGLHDP-CYBMUJFWSA-N	1	0	358.414	1.488	20	30		FDEDRO
N#Cc1nnc2ccccc2c1N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000603424512	553785133	/nfs/dbraw/zinc/78/51/33/553785133.db2.gz	ZFTUUFNXSQUVPI-MRXNPFEDSA-N	1	0	366.469	1.710	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)cc1	ZINC000606053904	554039170	/nfs/dbraw/zinc/03/91/70/554039170.db2.gz	MPWIIJWFFPDEQC-CYBMUJFWSA-N	1	0	361.446	1.389	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1	ZINC000606092976	554043006	/nfs/dbraw/zinc/04/30/06/554043006.db2.gz	IJDAYYQWWJFIHR-CYBMUJFWSA-N	1	0	373.457	1.532	20	30		FDEDRO
CC[N@H+](CCNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(C)C	ZINC000608838717	554323766	/nfs/dbraw/zinc/32/37/66/554323766.db2.gz	CIXDFAFZIBQSAX-UHFFFAOYSA-N	1	0	351.472	1.320	20	30		FDEDRO
CCC[N@H+](C)CC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N	ZINC000609287424	554359487	/nfs/dbraw/zinc/35/94/87/554359487.db2.gz	MXWSFZZCQWTYNI-UHFFFAOYSA-N	1	0	372.448	1.856	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1	ZINC000609311428	554363406	/nfs/dbraw/zinc/36/34/06/554363406.db2.gz	ALMLUPWGDFULEY-QFBILLFUSA-N	1	0	355.486	1.279	20	30		FDEDRO
CCn1nc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)ccc1=O	ZINC000609516055	554386357	/nfs/dbraw/zinc/38/63/57/554386357.db2.gz	ALCSDXYWPCJUSQ-UHFFFAOYSA-N	1	0	353.426	1.339	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)nc1	ZINC000609639918	554407066	/nfs/dbraw/zinc/40/70/66/554407066.db2.gz	USSSLEIAZZOGTD-MRXNPFEDSA-N	1	0	354.458	1.458	20	30		FDEDRO
COc1ccc(CC[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c(OC)c1OC	ZINC000609676777	554410568	/nfs/dbraw/zinc/41/05/68/554410568.db2.gz	TUNBPYYGFXQGHS-QGZVFWFLSA-N	1	0	369.421	1.943	20	30		FDEDRO
C[C@@H](NC(=O)N1CCN(c2ccc(C#N)cn2)CC1)C1CC[NH+](C)CC1	ZINC000610027396	554450162	/nfs/dbraw/zinc/45/01/62/554450162.db2.gz	GEYVDMGMOLEPTL-OAHLLOKOSA-N	1	0	356.474	1.515	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC[N@@H+]1C	ZINC000610208983	554473885	/nfs/dbraw/zinc/47/38/85/554473885.db2.gz	MEQVFCUKOKIBBM-GDBMZVCRSA-N	1	0	363.483	1.977	20	30		FDEDRO
C=CCNC(=O)CN1CCN(c2c(C#N)cnc3c(F)ccc(F)c32)CC1	ZINC000610245437	554477688	/nfs/dbraw/zinc/47/76/88/554477688.db2.gz	VRJFWHCYBDPTSD-UHFFFAOYSA-N	1	0	371.391	1.809	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC2CCN(CC#N)CC2)C1	ZINC000610460504	554512218	/nfs/dbraw/zinc/51/22/18/554512218.db2.gz	IJFKJHVSJKEYPU-QGZVFWFLSA-N	1	0	351.495	1.117	20	30		FDEDRO
N#CCn1c(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc2ccccc21	ZINC000610527102	554522991	/nfs/dbraw/zinc/52/29/91/554522991.db2.gz	GYSIWUOHUOKNQA-INIZCTEOSA-N	1	0	352.438	1.959	20	30		FDEDRO
CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000610722249	554554368	/nfs/dbraw/zinc/55/43/68/554554368.db2.gz	ZOBOMHCLMUKTFI-KRWDZBQOSA-N	1	0	356.474	1.659	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)c1cccc(C#N)c1	ZINC000610869927	554572662	/nfs/dbraw/zinc/57/26/62/554572662.db2.gz	CHDZWUBMFAWOLC-CYBMUJFWSA-N	1	0	360.377	1.955	20	30		FDEDRO
N#Cc1ccc(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(F)c1	ZINC000610882230	554574686	/nfs/dbraw/zinc/57/46/86/554574686.db2.gz	AXOITHKXKJHJPB-MSOLQXFVSA-N	1	0	360.433	1.874	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1	ZINC000610999189	554592214	/nfs/dbraw/zinc/59/22/14/554592214.db2.gz	JTTGKEVHABODRY-UHFFFAOYSA-N	1	0	372.450	1.650	20	30		FDEDRO
CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)[C@@H]2C1	ZINC000611110064	554606227	/nfs/dbraw/zinc/60/62/27/554606227.db2.gz	WMPLXIBBLLLQNP-AFYVEPGGSA-N	1	0	360.454	1.761	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]2C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)cc1	ZINC000611197035	554614629	/nfs/dbraw/zinc/61/46/29/554614629.db2.gz	VHGRXENTPOPZIT-UXHICEINSA-N	1	0	370.497	1.880	20	30		FDEDRO
CCC[C@H]1CN(C(=O)NC2CCN(CC#N)CC2)CC[N@@H+]1CCOC	ZINC000611233202	554618038	/nfs/dbraw/zinc/61/80/38/554618038.db2.gz	DAUZHWHNQZSGIQ-KRWDZBQOSA-N	1	0	351.495	1.117	20	30		FDEDRO
Cc1nn(-c2ccccc2)c(CN2CC[NH+](CC(C)(C)O)CC2)c1C#N	ZINC000611346870	554627227	/nfs/dbraw/zinc/62/72/27/554627227.db2.gz	NROIAQOMTZPSLP-UHFFFAOYSA-N	1	0	353.470	1.941	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+]CCc3nnc4n3CCC4)CC2)cc1	ZINC000611438541	554633456	/nfs/dbraw/zinc/63/34/56/554633456.db2.gz	RECRAEIPQDCUBJ-UHFFFAOYSA-N	1	0	350.470	1.893	20	30		FDEDRO
Cc1onc(CC(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)c1C#N	ZINC000611528301	554642345	/nfs/dbraw/zinc/64/23/45/554642345.db2.gz	KRGACVOUSYNCLW-UHFFFAOYSA-N	1	0	359.474	1.464	20	30		FDEDRO
C[C@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)C1CC[NH+](C)CC1	ZINC000613156951	554894075	/nfs/dbraw/zinc/89/40/75/554894075.db2.gz	QGQHISGVJUAGSO-ZDUSSCGKSA-N	1	0	353.430	1.991	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO	ZINC000613385303	554919670	/nfs/dbraw/zinc/91/96/70/554919670.db2.gz	PNXFKVYWPUYFDB-WOJBJXKFSA-N	1	0	373.497	1.730	20	30		FDEDRO
C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1	ZINC000613690270	554955098	/nfs/dbraw/zinc/95/50/98/554955098.db2.gz	BJXKBBKHSPNNDS-FXAWDEMLSA-N	1	0	369.513	1.669	20	30		FDEDRO
C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000614711235	555099988	/nfs/dbraw/zinc/09/99/88/555099988.db2.gz	HYONVMCRVWJOBE-HZPDHXFCSA-N	1	0	364.471	1.091	20	30		FDEDRO
C=C[C@@H](O)C(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1	ZINC000616180118	555279012	/nfs/dbraw/zinc/27/90/12/555279012.db2.gz	IOPZLMSHGVKWBL-GOSISDBHSA-N	1	0	363.889	2.000	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000616295211	555289045	/nfs/dbraw/zinc/28/90/45/555289045.db2.gz	XPOGUVCYYKPHLV-IBGZPJMESA-N	1	0	373.497	1.601	20	30		FDEDRO
C[C@@H]1OCC[C@@]1(C)[NH2+]CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000617252597	555406632	/nfs/dbraw/zinc/40/66/32/555406632.db2.gz	LMZSRZQLAPUOIT-QKYXUNIQSA-N	1	0	374.460	1.692	20	30		FDEDRO
N#Cc1ccc(C[C@H](C#N)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1	ZINC000619381975	555769763	/nfs/dbraw/zinc/76/97/63/555769763.db2.gz	RITILEBJUSBWIB-MJGOQNOKSA-N	1	0	352.438	1.610	20	30		FDEDRO
Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C1CCN(CC#N)CC1	ZINC000619465654	555781818	/nfs/dbraw/zinc/78/18/18/555781818.db2.gz	ZOHBNPWEMJTTKF-CQSZACIVSA-N	1	0	350.488	1.589	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2cccc(CC#N)c2)C1	ZINC000619488462	555786832	/nfs/dbraw/zinc/78/68/32/555786832.db2.gz	DPHVTPNEYUNTKJ-KRWDZBQOSA-N	1	0	365.499	1.874	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)n1cnc(C#N)n1	ZINC000619598405	555806620	/nfs/dbraw/zinc/80/66/20/555806620.db2.gz	MPDLLPDQSUCLOQ-OAHLLOKOSA-N	1	0	367.457	1.871	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1OC	ZINC000620489728	555942801	/nfs/dbraw/zinc/94/28/01/555942801.db2.gz	CZXONVIDCYARCD-QGZVFWFLSA-N	1	0	360.454	1.931	20	30		FDEDRO
C=CCn1c(-c2cn[nH]c2)nnc1N1CCC(C[NH+]2CCOCC2)CC1	ZINC000624847459	556654297	/nfs/dbraw/zinc/65/42/97/556654297.db2.gz	MISSDEAJODDMJJ-UHFFFAOYSA-N	1	0	357.462	1.403	20	30		FDEDRO
C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000624990743	556686361	/nfs/dbraw/zinc/68/63/61/556686361.db2.gz	MVMFXOYAEVFZCT-MRXNPFEDSA-N	1	0	371.489	1.793	20	30		FDEDRO
C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CC[NH+](C(C)(C)COC)CC1	ZINC000624992503	556686666	/nfs/dbraw/zinc/68/66/66/556686666.db2.gz	VETIHFQMHMERAC-UHFFFAOYSA-N	1	0	359.478	1.791	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CCN1CCC[C@@H]([NH+]2CCCC2)C1	ZINC000625086376	556710123	/nfs/dbraw/zinc/71/01/23/556710123.db2.gz	XZPCOMHQDZLGET-QGZVFWFLSA-N	1	0	351.450	1.846	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCN(C3CCC3)C2=O)c(OC)c1	ZINC000629617217	557818324	/nfs/dbraw/zinc/81/83/24/557818324.db2.gz	HNPSDHZXMJQNOO-MSOLQXFVSA-N	1	0	374.481	1.906	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](n2cncn2)C(F)(F)F)CC1	ZINC000632986711	558237488	/nfs/dbraw/zinc/23/74/88/558237488.db2.gz	ICJDQRVCIVCKQB-CYBMUJFWSA-N	1	0	360.384	1.721	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)cc1	ZINC000633040485	558247732	/nfs/dbraw/zinc/24/77/32/558247732.db2.gz	XOTSGCVQXAJFFI-GOEBONIOSA-N	1	0	370.453	1.387	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1	ZINC000635207927	558614697	/nfs/dbraw/zinc/61/46/97/558614697.db2.gz	AFNYIECSBQOKKR-HNNXBMFYSA-N	1	0	359.474	1.903	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC([C@H]3NC(=O)C3(C)C)CC2)CC1	ZINC000636743199	568001092	/nfs/dbraw/zinc/00/10/92/568001092.db2.gz	YIRFCXDVTNHHLU-QGZVFWFLSA-N	1	0	362.518	1.973	20	30		FDEDRO
CC1CC[NH+](CCNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1	ZINC000291612398	568226840	/nfs/dbraw/zinc/22/68/40/568226840.db2.gz	JQDFBGBDXNQAKH-QGZVFWFLSA-N	1	0	357.458	1.848	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000272875640	674483678	/nfs/dbraw/zinc/48/36/78/674483678.db2.gz	PPGOSBIVDWTYDG-QGZVFWFLSA-N	1	0	350.484	1.616	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccnc(-c4nn[nH]n4)c3)CC2)cc1	ZINC000826385137	607478713	/nfs/dbraw/zinc/47/87/13/607478713.db2.gz	YVWWYOSIGODJID-UHFFFAOYSA-N	1	0	374.452	1.841	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@H](CN1CCOCC1)c1ccc(CC)cc1	ZINC000273200002	674516004	/nfs/dbraw/zinc/51/60/04/674516004.db2.gz	IJPMJVAKLJQQFX-LJQANCHMSA-N	1	0	366.527	1.813	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1ccc(F)cc1-c1nn[nH]n1	ZINC000825937351	608035532	/nfs/dbraw/zinc/03/55/32/608035532.db2.gz	AKHUCRIEGXJSAE-UHFFFAOYSA-N	1	0	355.381	1.247	20	30		FDEDRO
C=CC[N@@H+](CCC(=O)N(C)CCC#N)Cc1cccc(-c2nn[nH]n2)c1	ZINC000823904121	608088461	/nfs/dbraw/zinc/08/84/61/608088461.db2.gz	VKADDGTWZOWKHW-UHFFFAOYSA-N	1	0	353.430	1.617	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1cccc(-c2nn[nH]n2)c1	ZINC000824571000	608489492	/nfs/dbraw/zinc/48/94/92/608489492.db2.gz	PDDWBIHVCAJSKV-SUMWQHHRSA-N	1	0	364.409	1.829	20	30		FDEDRO
C=CC[N@H+](CCN1C[C@H]2CC[C@@H](C1)O2)Cc1cccc(-c2nn[nH]n2)c1	ZINC000823903654	608578732	/nfs/dbraw/zinc/57/87/32/608578732.db2.gz	GMZLUAWWFXGRLW-HDICACEKSA-N	1	0	354.458	1.718	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1	ZINC000274177045	674586143	/nfs/dbraw/zinc/58/61/43/674586143.db2.gz	CKUQBYNALUWFJS-CQSZACIVSA-N	1	0	369.487	1.446	20	30		FDEDRO
[NH2+]=C(NC[C@@H](CO)Cc1cccc(Br)c1)N1CCOCC1	ZINC000277539732	674963821	/nfs/dbraw/zinc/96/38/21/674963821.db2.gz	YDCLBMTYVLKPCU-ZDUSSCGKSA-N	1	0	356.264	1.247	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCCCN1S(C)(=O)=O)C(C)C	ZINC000047633446	671041942	/nfs/dbraw/zinc/04/19/42/671041942.db2.gz	ONMJCGMAQQDIPA-IAGOWNOFSA-N	1	0	371.547	1.615	20	30		FDEDRO
C[NH+](C)CCNC(=O)CC1S/C(=N/c2cccc(Cl)c2)NC1=O	ZINC000106898561	671608851	/nfs/dbraw/zinc/60/88/51/671608851.db2.gz	UWXHTRQDEHIWCM-GFCCVEGCSA-N	1	0	354.863	1.627	20	30		FDEDRO
C[NH+]=C(NC[C@@]1(N2CCOCC2)CCSC1)N1CCSC(C)(C)C1	ZINC000126117022	671755786	/nfs/dbraw/zinc/75/57/86/671755786.db2.gz	JFQKGXAXPJMBAO-KRWDZBQOSA-N	1	0	372.604	1.597	20	30		FDEDRO
[NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NC[C@]1(CCO)CCOC1	ZINC000126131504	671756069	/nfs/dbraw/zinc/75/60/69/671756069.db2.gz	AKBMAQNALWUHFZ-HNNXBMFYSA-N	1	0	361.364	1.779	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C[C@H]2CC[NH2+]C2)cc1	ZINC000128405772	671776929	/nfs/dbraw/zinc/77/69/29/671776929.db2.gz	ZSJHLKOBSXRINO-MMOSJZJFSA-N	1	0	364.471	1.438	20	30		FDEDRO
Cc1cnc(CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)s1	ZINC000133990627	671825152	/nfs/dbraw/zinc/82/51/52/671825152.db2.gz	KIVVXEXZZZPZGS-GFCCVEGCSA-N	1	0	351.476	1.832	20	30		FDEDRO
C[NH+]=C(NCC(=O)NC(C)C)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1	ZINC000153120783	671895418	/nfs/dbraw/zinc/89/54/18/671895418.db2.gz	YNVCDXMOGKFBIG-XJKSGUPXSA-N	1	0	350.438	1.688	20	30		FDEDRO
CS[C@@H](C)CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000288122692	675962828	/nfs/dbraw/zinc/96/28/28/675962828.db2.gz	JKQCPLAGBFAUSI-AWEZNQCLSA-N	1	0	362.499	1.316	20	30		FDEDRO
CC[NH+]=C(NCCOc1ccccc1C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158573536	671981023	/nfs/dbraw/zinc/98/10/23/671981023.db2.gz	RISDLUCEEYNOSU-UHFFFAOYSA-N	1	0	367.515	1.848	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)ccc1F	ZINC000161086175	672006811	/nfs/dbraw/zinc/00/68/11/672006811.db2.gz	GENKCMTXVOLNSQ-STQMWFEESA-N	1	0	355.435	1.290	20	30		FDEDRO
C=CCCOCCNC(=O)NCc1ccncc1OCCC[NH+](C)C	ZINC000288182916	675971774	/nfs/dbraw/zinc/97/17/74/675971774.db2.gz	AVPMGWGLRAMWCY-UHFFFAOYSA-N	1	0	350.463	1.804	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1ccc(OC(F)(F)F)cc1	ZINC000170909396	672047787	/nfs/dbraw/zinc/04/77/87/672047787.db2.gz	WVFYPHSUZIKFTI-UHFFFAOYSA-N	1	0	360.380	1.582	20	30		FDEDRO
COCCC[N@H+](CCCOc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000171923633	672061401	/nfs/dbraw/zinc/06/14/01/672061401.db2.gz	XECGQUQDPCREBX-KRWDZBQOSA-N	1	0	366.483	1.853	20	30		FDEDRO
CC(C)[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1)N1CC[NH+](C)CC1	ZINC000288238414	675980754	/nfs/dbraw/zinc/98/07/54/675980754.db2.gz	FWBIWGNHIUQLSG-GOSISDBHSA-N	1	0	364.515	1.250	20	30		FDEDRO
C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000288288584	675987927	/nfs/dbraw/zinc/98/79/27/675987927.db2.gz	VRVKBVDJMKOWJV-VIFPVBQESA-N	1	0	353.220	1.326	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NC[C@@H]3CCC(C)(C)O3)=[NH+]C[C@@H]2C1	ZINC000186887135	672276985	/nfs/dbraw/zinc/27/69/85/672276985.db2.gz	GWHCSGDFMQTBSU-KGLIPLIRSA-N	1	0	352.479	1.825	20	30		FDEDRO
CCCCCCCS(=O)(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000195221390	672400486	/nfs/dbraw/zinc/40/04/86/672400486.db2.gz	PSIOXCRPNZGUKX-UHFFFAOYSA-N	1	0	359.536	1.527	20	30		FDEDRO
CC(C)[C@H]([NH3+])C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1	ZINC000236800929	672419248	/nfs/dbraw/zinc/41/92/48/672419248.db2.gz	DWHMENKQNSRBEV-NOMGLIDZSA-N	1	0	352.460	1.421	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1	ZINC000245917158	672472203	/nfs/dbraw/zinc/47/22/03/672472203.db2.gz	RUKMNWPJWISLIX-CABCVRRESA-N	1	0	352.479	1.936	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)C1	ZINC000249502723	672566847	/nfs/dbraw/zinc/56/68/47/672566847.db2.gz	JKLUDEULYMRXRU-STQMWFEESA-N	1	0	350.850	1.537	20	30		FDEDRO
C[NH+]=C(NCC(=O)Nc1ccc(F)c(F)c1F)N(C)C[C@@H]1CCOC1	ZINC000261680501	672649640	/nfs/dbraw/zinc/64/96/40/672649640.db2.gz	QLOKAXIUXUHDJG-JTQLQIEISA-N	1	0	358.364	1.586	20	30		FDEDRO
C[NH+]=C(NCc1ccc(C)s1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1	ZINC000261799482	672673655	/nfs/dbraw/zinc/67/36/55/672673655.db2.gz	RIMWXSVLBAMPTP-KRWDZBQOSA-N	1	0	363.487	1.442	20	30		FDEDRO
CC[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCN(c2cccs2)CC1	ZINC000261847355	672682371	/nfs/dbraw/zinc/68/23/71/672682371.db2.gz	XOGZILXSKDMVTH-CQSZACIVSA-N	1	0	370.544	1.270	20	30		FDEDRO
C[NH+]=C(NCc1nccn1C(F)F)N1CCN(C[C@H]2CCOC2)CC1	ZINC000261862842	672685001	/nfs/dbraw/zinc/68/50/01/672685001.db2.gz	YPNDWUPEMCQIMM-CYBMUJFWSA-N	1	0	356.421	1.008	20	30		FDEDRO
C[NH+]=C(NCc1nccn1C(F)F)N1CCN([C@@H](C)C(F)(F)F)CC1	ZINC000261871169	672686282	/nfs/dbraw/zinc/68/62/82/672686282.db2.gz	OBMQDNAARHTDLO-JTQLQIEISA-N	1	0	368.354	1.922	20	30		FDEDRO
CC[C@H](C)NC(=[NH2+])NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000261877499	672686799	/nfs/dbraw/zinc/68/67/99/672686799.db2.gz	QHHTWJOGIOSSDH-ZDUSSCGKSA-N	1	0	351.882	1.691	20	30		FDEDRO
C[NH+]=C(NCCOc1cccc(F)c1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261935049	672696927	/nfs/dbraw/zinc/69/69/27/672696927.db2.gz	CGADDFLQOVCRQU-UHFFFAOYSA-N	1	0	357.451	1.289	20	30		FDEDRO
C[NH+]=C(NCc1cc(Cl)ccc1OC)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261961015	672702502	/nfs/dbraw/zinc/70/25/02/672702502.db2.gz	KEGHXIRPLRTDET-UHFFFAOYSA-N	1	0	373.906	1.933	20	30		FDEDRO
CC[NH+]=C(NCC1(CCO)CCCC1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261977340	672705650	/nfs/dbraw/zinc/70/56/50/672705650.db2.gz	NYMJRAJQYONYDK-UHFFFAOYSA-N	1	0	359.536	1.404	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCN(CC(F)(F)F)C1)N1CC[C@]2(CCOC2)C1	ZINC000261995618	672708502	/nfs/dbraw/zinc/70/85/02/672708502.db2.gz	SIBSYKJUHOGBCR-HOCLYGCPSA-N	1	0	362.440	1.949	20	30		FDEDRO
C[NH+]=C(NC[C@]1(N(C)C)CCSC1)N1CC[C@H](C)[C@H](n2ccnc2)C1	ZINC000261995931	672708529	/nfs/dbraw/zinc/70/85/29/672708529.db2.gz	SIIDIIUIRRTLTP-LZLYRXPVSA-N	1	0	364.563	1.779	20	30		FDEDRO
CC[NH+]=C(NCCc1c(F)cccc1F)N1CCS(=O)(=O)C(C)(C)C1	ZINC000262009864	672711376	/nfs/dbraw/zinc/71/13/76/672711376.db2.gz	WHWPFJIEYBRTBF-UHFFFAOYSA-N	1	0	373.469	1.982	20	30		FDEDRO
C[NH+]=C(NC[C@@H](C)Oc1ccccc1C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000262015323	672712252	/nfs/dbraw/zinc/71/22/52/672712252.db2.gz	XOZAYOPAHXIFRM-OAHLLOKOSA-N	1	0	367.515	1.847	20	30		FDEDRO
CC(C)(C)NC(=[NH2+])NCC1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000262022127	672713476	/nfs/dbraw/zinc/71/34/76/672713476.db2.gz	YGLXVCIUTAJYSW-UHFFFAOYSA-N	1	0	352.504	1.790	20	30		FDEDRO
C[NH+]=C(NCc1nc(C)c(C)s1)N[C@H]1CCc2nc(COC)nn2C1	ZINC000262023198	672713503	/nfs/dbraw/zinc/71/35/03/672713503.db2.gz	ZFMRJLPGTSWXTC-LBPRGKRZSA-N	1	0	363.491	1.178	20	30		FDEDRO
C#C[C@H](NC(NCCN1CCOCC1)=[NH+]C)c1ccc(Cl)cc1F	ZINC000262199482	672745369	/nfs/dbraw/zinc/74/53/69/672745369.db2.gz	ANNBZEBISGWXID-INIZCTEOSA-N	1	0	352.841	1.651	20	30		FDEDRO
CN(C(=[NH2+])NCC1CCN(S(=O)(=O)c2ccccc2)CC1)C1CC1	ZINC000262205680	672746632	/nfs/dbraw/zinc/74/66/32/672746632.db2.gz	HYNFHDMXUOFHFJ-UHFFFAOYSA-N	1	0	350.488	1.496	20	30		FDEDRO
CC[C@H](C)[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CCO[C@@]2(CCSC2)C1	ZINC000262272472	672759405	/nfs/dbraw/zinc/75/94/05/672759405.db2.gz	HDFXUCLQDKIZAG-VBQJREDUSA-N	1	0	356.536	1.463	20	30		FDEDRO
C=C(C)CNC(NCC(=O)N(C)C)=[NH+][C@@H]1CCO[C@]2(CCSC2)C1	ZINC000262288850	672762550	/nfs/dbraw/zinc/76/25/50/672762550.db2.gz	KVVOBWYDFMNYHE-RHSMWYFYSA-N	1	0	354.520	1.241	20	30		FDEDRO
CC[C@@H](C)[NH+]=C(NCC(=O)N(C)C)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000262297539	672764264	/nfs/dbraw/zinc/76/42/64/672764264.db2.gz	MOXYFFCHKDOASJ-CQSZACIVSA-N	1	0	353.511	1.150	20	30		FDEDRO
C=CCNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@]2(CCCOC2)C1	ZINC000262333482	672772109	/nfs/dbraw/zinc/77/21/09/672772109.db2.gz	BLAWVFTYIVCCOC-FUHWJXTLSA-N	1	0	369.531	1.445	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(NC[C@H]2CCc3ccccc32)=[NH+]C2CC2)C1	ZINC000262363706	672776952	/nfs/dbraw/zinc/77/69/52/672776952.db2.gz	HIQNXEZCDDYZGX-GDBMZVCRSA-N	1	0	361.511	1.849	20	30		FDEDRO
CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=[NH2+])Nc1ccc2c(c1)CCC2	ZINC000262403069	672783796	/nfs/dbraw/zinc/78/37/96/672783796.db2.gz	OBVNIYUYVCVCLW-GOEBONIOSA-N	1	0	350.488	1.620	20	30		FDEDRO
CC[NH+]=C(NC[C@]1(O)CCSC1)N1CCN(Cc2cccs2)CC1	ZINC000262416925	672786162	/nfs/dbraw/zinc/78/61/62/672786162.db2.gz	QGJTUQOSCGPKHH-QGZVFWFLSA-N	1	0	368.572	1.699	20	30		FDEDRO
C[C@]1(CNC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)CCCO1	ZINC000262424539	672787298	/nfs/dbraw/zinc/78/72/98/672787298.db2.gz	RJWGAWKXXAQDFA-RHSMWYFYSA-N	1	0	357.520	1.468	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1C[C@H](OCC)C12CCC2)NC1CCN(C(C)=O)CC1	ZINC000262432150	672788468	/nfs/dbraw/zinc/78/84/68/672788468.db2.gz	ONGPBWOULNHVKG-SJORKVTESA-N	1	0	350.507	1.900	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(=[NH+]C[C@@H]2CCOC2)N2CC[C@@H](C3CC3)C2)C1	ZINC000262436928	672789095	/nfs/dbraw/zinc/78/90/95/672789095.db2.gz	TZPONYCIOILMCV-ZMSDIMECSA-N	1	0	369.531	1.135	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C	ZINC000262450487	672791544	/nfs/dbraw/zinc/79/15/44/672791544.db2.gz	VUUHNJOXSLFGLO-JONQDZQNSA-N	1	0	371.547	1.568	20	30		FDEDRO
C[NH+]=C(NC[C@]1(O)CCSC1)N[C@@H]1CCCN(c2cccc(F)c2)C1	ZINC000262456570	672792587	/nfs/dbraw/zinc/79/25/87/672792587.db2.gz	WVXONEJIOQAPRE-CRAIPNDOSA-N	1	0	366.506	1.828	20	30		FDEDRO
[NH2+]=C(NCCC1CCS(=O)(=O)CC1)N[C@H]1CCOc2ccccc21	ZINC000262688742	672830342	/nfs/dbraw/zinc/83/03/42/672830342.db2.gz	ZNUYWBLKZMRNBY-HNNXBMFYSA-N	1	0	351.472	1.629	20	30		FDEDRO
CC[NH+]=C(NCC1(O)CCC1)N1CCS(=O)(=O)C2(CCCCC2)C1	ZINC000262759387	672843575	/nfs/dbraw/zinc/84/35/75/672843575.db2.gz	CPTCHSIPHIEZKO-UHFFFAOYSA-N	1	0	357.520	1.300	20	30		FDEDRO
C[NH+]=C(NC[C@H](O)C1CCCCC1)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1	ZINC000262774690	672847242	/nfs/dbraw/zinc/84/72/42/672847242.db2.gz	IZRLTMKLLMDDGI-BBWFWOEESA-N	1	0	352.523	1.740	20	30		FDEDRO
CC[NH+]=C(NCCN1CCSCC1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C	ZINC000262778823	672847728	/nfs/dbraw/zinc/84/77/28/672847728.db2.gz	KDUORMSHJNOZQI-XHSDSOJGSA-N	1	0	354.564	1.794	20	30		FDEDRO
C[NH+]=C(NC[C@H](O)c1ccc(Cl)cc1)N[C@@H]1CCCn2nc(C)nc21	ZINC000262777957	672847993	/nfs/dbraw/zinc/84/79/93/672847993.db2.gz	KCFBQCRDRZLLJY-CABCVRRESA-N	1	0	362.865	1.973	20	30		FDEDRO
C[NH+]=C(NCCc1nc(C(C)(C)C)cs1)N1CCN(C2CC2)C(=O)C1	ZINC000262802214	672850758	/nfs/dbraw/zinc/85/07/58/672850758.db2.gz	RJACUWFPZCKJHG-UHFFFAOYSA-N	1	0	363.531	1.865	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(S(C)(=O)=O)nc1	ZINC000267408949	673300748	/nfs/dbraw/zinc/30/07/48/673300748.db2.gz	PUTQXNQGLAXIHT-UHFFFAOYSA-N	1	0	353.448	1.184	20	30		FDEDRO
CC1(C)C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@H]1O	ZINC000279823085	675351899	/nfs/dbraw/zinc/35/18/99/675351899.db2.gz	QOOVZNRZRVFUAZ-OAHLLOKOSA-N	1	0	354.372	1.876	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC2(C[NH+](C)C)CCC2)c1	ZINC000281695740	675546471	/nfs/dbraw/zinc/54/64/71/675546471.db2.gz	LRWUSVXESWRSKR-UHFFFAOYSA-N	1	0	351.472	1.365	20	30		FDEDRO
CC[NH+](CC)Cc1cccc(CNS(=O)(=O)N(C)C[C@H](C)C#N)c1	ZINC000282812343	675642171	/nfs/dbraw/zinc/64/21/71/675642171.db2.gz	KYSRPZNLBHTHNN-OAHLLOKOSA-N	1	0	352.504	1.954	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[N@H+](Cc2ccccc2)CC1	ZINC000282980898	675645437	/nfs/dbraw/zinc/64/54/37/675645437.db2.gz	XIEWQGJPHNXEEY-MRXNPFEDSA-N	1	0	350.488	1.531	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccccc1OCC[NH+](C)C	ZINC000283031439	675647433	/nfs/dbraw/zinc/64/74/33/675647433.db2.gz	QKGQJKYRJIOLFY-AWEZNQCLSA-N	1	0	354.476	1.195	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2CC[NH3+])c1	ZINC000286060671	675867032	/nfs/dbraw/zinc/86/70/32/675867032.db2.gz	LSTQYTKONPWNNJ-HNNXBMFYSA-N	1	0	351.472	1.494	20	30		FDEDRO
CC[C@](C)(C#N)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1	ZINC000286071083	675868332	/nfs/dbraw/zinc/86/83/32/675868332.db2.gz	MMQBMMVEJIYDGP-MRXNPFEDSA-N	1	0	352.460	1.405	20	30		FDEDRO
Cc1cc(Cl)cnc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000291769898	676270244	/nfs/dbraw/zinc/27/02/44/676270244.db2.gz	NYYPFONTJYSMPY-UHFFFAOYSA-N	1	0	351.838	1.676	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(C#N)c(F)c2)CCCO1	ZINC000292656833	676303757	/nfs/dbraw/zinc/30/37/57/676303757.db2.gz	QLFDRXMHGHBGIN-CYBMUJFWSA-N	1	0	355.435	1.477	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CCOCCC#N)C2)cc1	ZINC000292786051	676314451	/nfs/dbraw/zinc/31/44/51/676314451.db2.gz	LBMIWOVDOXWCTE-KRWDZBQOSA-N	1	0	365.499	1.916	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@H](C)N1C	ZINC000294070824	676374570	/nfs/dbraw/zinc/37/45/70/676374570.db2.gz	VVQHADTXOCQEGD-OKILXGFUSA-N	1	0	364.471	1.043	20	30		FDEDRO
CCOC(=O)Cc1cnc(NC(=O)N(CCC#N)CCC[NH+](C)C)s1	ZINC000296904779	676421840	/nfs/dbraw/zinc/42/18/40/676421840.db2.gz	LYAHQBNLOXINEV-UHFFFAOYSA-N	1	0	367.475	1.948	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1	ZINC000297038579	676422712	/nfs/dbraw/zinc/42/27/12/676422712.db2.gz	WXUZQKLKJINDFF-UHFFFAOYSA-N	1	0	371.890	1.498	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N[C@@H](CO)c1cccc(Br)c1	ZINC000297076734	676423060	/nfs/dbraw/zinc/42/30/60/676423060.db2.gz	ZBUGXQOMSZHRSN-HNNXBMFYSA-N	1	0	368.275	1.737	20	30		FDEDRO
CC(C)[N@H+](C)CCCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000298365745	676456113	/nfs/dbraw/zinc/45/61/13/676456113.db2.gz	BJFZDNTXYKUYRE-UHFFFAOYSA-N	1	0	366.487	1.339	20	30		FDEDRO
C[C@@H](O)C[N@H+](CCO)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2	ZINC000298461871	676465574	/nfs/dbraw/zinc/46/55/74/676465574.db2.gz	IDHADVAKAGNQIF-QWHCGFSZSA-N	1	0	365.499	1.748	20	30		FDEDRO
CC(C)CNC(=[NH2+])NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000303974522	676543850	/nfs/dbraw/zinc/54/38/50/676543850.db2.gz	HYKOOLZIPKURNY-UHFFFAOYSA-N	1	0	351.882	1.549	20	30		FDEDRO
[NH2+]=C(NCCNC(=O)c1ccn[nH]1)Nc1ccccc1OC(F)(F)F	ZINC000305823707	676545220	/nfs/dbraw/zinc/54/52/20/676545220.db2.gz	BVMOEOZGDUELFN-UHFFFAOYSA-N	1	0	356.308	1.465	20	30		FDEDRO
O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000328688774	676602395	/nfs/dbraw/zinc/60/23/95/676602395.db2.gz	HUEUHUXRSOZULI-YLFCFFPRSA-N	1	0	351.491	1.685	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)N1C[C@H](O)C[C@H]1c1ccc(F)cc1	ZINC000328821498	676608439	/nfs/dbraw/zinc/60/84/39/676608439.db2.gz	QKKBRUJAWLWQKK-ZACQAIPSSA-N	1	0	350.438	1.093	20	30		FDEDRO
C[C@H]1CN(Cc2csc(NC(=O)N3CCC[N@H+](C)CC3)n2)C[C@H](C)O1	ZINC000328840977	676609239	/nfs/dbraw/zinc/60/92/39/676609239.db2.gz	OMVSAADTHMEFGA-KBPBESRZSA-N	1	0	367.519	1.935	20	30		FDEDRO
NC(=O)N[C@H]1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1	ZINC000328867366	676610198	/nfs/dbraw/zinc/61/01/98/676610198.db2.gz	CDAYDUKULUKTTL-AWEZNQCLSA-N	1	0	369.535	1.809	20	30		FDEDRO
CCS(=O)(=O)N1CCC(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1	ZINC000328870886	676610206	/nfs/dbraw/zinc/61/02/06/676610206.db2.gz	PULLCOVCUUYRCT-MRXNPFEDSA-N	1	0	372.535	1.275	20	30		FDEDRO
Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC1CC[NH+](C(C)C)CC1	ZINC000328928804	676612414	/nfs/dbraw/zinc/61/24/14/676612414.db2.gz	GULGMNFZXWHLKB-LBPRGKRZSA-N	1	0	372.491	1.788	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2[C@H]2CNC(=O)C2)CC1	ZINC000328938966	676612910	/nfs/dbraw/zinc/61/29/10/676612910.db2.gz	GZFKEPBNTHAZHW-GDBMZVCRSA-N	1	0	352.479	1.842	20	30		FDEDRO
CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000329037812	676616929	/nfs/dbraw/zinc/61/69/29/676616929.db2.gz	NIJVXHSVDVWJBT-XOYOTBSWSA-N	1	0	351.491	1.901	20	30		FDEDRO
C[C@@H](Sc1nncn1C)C(=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000329114747	676620648	/nfs/dbraw/zinc/62/06/48/676620648.db2.gz	SLWNZUVXKKOLHH-CYBMUJFWSA-N	1	0	353.492	1.897	20	30		FDEDRO
Cc1noc(CNC(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1	ZINC000329121879	676621139	/nfs/dbraw/zinc/62/11/39/676621139.db2.gz	QTTFDIAAZQCYSF-ZIAGYGMSSA-N	1	0	350.467	1.282	20	30		FDEDRO
CNS(=O)(=O)c1cccc(NC(=O)N2CC[NH+](C3CCC3)CC2)c1C	ZINC000329144450	676622551	/nfs/dbraw/zinc/62/25/51/676622551.db2.gz	MYGRUTTYBIRRNZ-UHFFFAOYSA-N	1	0	366.487	1.619	20	30		FDEDRO
Cc1nn(CC(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)c(C)c1Cl	ZINC000329152418	676622742	/nfs/dbraw/zinc/62/27/42/676622742.db2.gz	BGYFVJURHJZRRB-CQSZACIVSA-N	1	0	367.881	1.805	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2nc(CN3CCOCC3)cs2)CC1	ZINC000329186884	676623974	/nfs/dbraw/zinc/62/39/74/676623974.db2.gz	QSLGHAKCDVSDJU-UHFFFAOYSA-N	1	0	365.503	1.952	20	30		FDEDRO
CC(=O)Nc1nc(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)cs1	ZINC000329193832	676624486	/nfs/dbraw/zinc/62/44/86/676624486.db2.gz	SQFTUZJVRICXJC-ZDUSSCGKSA-N	1	0	365.459	1.751	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2CCN(C(=O)C3CC3)CC2(C)C)CC1	ZINC000329204802	676625330	/nfs/dbraw/zinc/62/53/30/676625330.db2.gz	DFNPNYXPQVHKGV-UHFFFAOYSA-N	1	0	350.507	1.760	20	30		FDEDRO
C[C@@H]1CN(C(C)(C)CNC(=O)[C@@H]2CC[C@H](C(=O)N(C)C)O2)C[C@@H](C)O1	ZINC000329270523	676629794	/nfs/dbraw/zinc/62/97/94/676629794.db2.gz	IUKLGFYRNYCQFV-APIJFGDWSA-N	1	0	355.479	1.467	20	30		FDEDRO
O=C(CCNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCOCC1	ZINC000329338061	676633795	/nfs/dbraw/zinc/63/37/95/676633795.db2.gz	YNGSRGPLAZPZFD-OAHLLOKOSA-N	1	0	355.504	1.409	20	30		FDEDRO
C[NH+](C)CC1CCC(NC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)CC1	ZINC000329346756	676634271	/nfs/dbraw/zinc/63/42/71/676634271.db2.gz	VHRMJUDUGIPFPA-YXYCDRMUSA-N	1	0	353.507	1.883	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O	ZINC000329409736	676637579	/nfs/dbraw/zinc/63/75/79/676637579.db2.gz	BPRHXEDIAAHHBM-DISONHOPSA-N	1	0	353.507	1.883	20	30		FDEDRO
C[C@H](NC(=O)CN1CC[C@H]([NH+]2CCCC2)[C@H]1C)C(=O)N1CCCCC1	ZINC000329428853	676638268	/nfs/dbraw/zinc/63/82/68/676638268.db2.gz	HCWHDZVFDLYLBY-BBWFWOEESA-N	1	0	350.507	1.903	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@H](NC(=O)NC2CC2)C1	ZINC000329516277	676642227	/nfs/dbraw/zinc/64/22/27/676642227.db2.gz	MRCWNGPTIFFVMX-YCPHGPKFSA-N	1	0	351.495	1.761	20	30		FDEDRO
C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)C1	ZINC000329517193	676642280	/nfs/dbraw/zinc/64/22/80/676642280.db2.gz	PGKJTVYRJHEIJP-JKSUJKDBSA-N	1	0	351.495	1.464	20	30		FDEDRO
C[C@H](CCNC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)[NH+]1CCCCC1	ZINC000329577137	676644812	/nfs/dbraw/zinc/64/48/12/676644812.db2.gz	SPQNFOFHTKMNEL-HUUCEWRRSA-N	1	0	360.524	1.179	20	30		FDEDRO
CC(C)C(=O)N1CCC(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1	ZINC000329704241	676650546	/nfs/dbraw/zinc/65/05/46/676650546.db2.gz	IRDCWEKAJJIIGE-KRWDZBQOSA-N	1	0	356.536	1.574	20	30		FDEDRO
O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@@H]1CCCS(=O)(=O)C1	ZINC000329773621	676654998	/nfs/dbraw/zinc/65/49/98/676654998.db2.gz	IBXMFSXASHJFSL-QGZVFWFLSA-N	1	0	365.499	1.863	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCc1nnc(C(C)(C)C)s1	ZINC000329814680	676658510	/nfs/dbraw/zinc/65/85/10/676658510.db2.gz	DGMOHVZQWLQFHG-GFCCVEGCSA-N	1	0	354.524	1.475	20	30		FDEDRO
COCC[C@@H]1COCCN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000329841700	676660248	/nfs/dbraw/zinc/66/02/48/676660248.db2.gz	WVXIXBPYQQKUDJ-ZACQAIPSSA-N	1	0	355.479	1.016	20	30		FDEDRO
C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(S(C)(=O)=O)s1	ZINC000329843724	676660416	/nfs/dbraw/zinc/66/04/16/676660416.db2.gz	LAENIQALBMJMGU-NEPJUHHUSA-N	1	0	357.501	1.734	20	30		FDEDRO
O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCO[C@]2(CCOC2)C1	ZINC000329876975	676661947	/nfs/dbraw/zinc/66/19/47/676661947.db2.gz	IQDZUBBGPHSZGI-GOSISDBHSA-N	1	0	353.463	1.037	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)CC3(C#N)CCCCC3)C2)CC1	ZINC000329997593	676668184	/nfs/dbraw/zinc/66/81/84/676668184.db2.gz	QUMSZLRKVDILAS-QGZVFWFLSA-N	1	0	368.547	1.502	20	30		FDEDRO
Cn1nccc1N1CCC[C@@H](NC(=O)C[N@H+](C)[C@H]2CCSC2)C1=O	ZINC000330051052	676670400	/nfs/dbraw/zinc/67/04/00/676670400.db2.gz	MVHOCKRMOYFWAO-QWHCGFSZSA-N	1	0	351.476	1.309	20	30		FDEDRO
O=C(NC1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1)C1CC1	ZINC000330240028	676680342	/nfs/dbraw/zinc/68/03/42/676680342.db2.gz	BGYSSBABZYTTSB-CVEARBPZSA-N	1	0	350.463	1.329	20	30		FDEDRO
CCCN1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C(C)(C)C1=O	ZINC000330254897	676681353	/nfs/dbraw/zinc/68/13/53/676681353.db2.gz	JPMYEPNRBWUHEN-UHFFFAOYSA-N	1	0	350.507	1.903	20	30		FDEDRO
CCS(=O)(=O)N1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1	ZINC000330253290	676681379	/nfs/dbraw/zinc/68/13/79/676681379.db2.gz	OTCKKFGQDSTFOP-INIZCTEOSA-N	1	0	372.535	1.321	20	30		FDEDRO
CC(C)N1CC[C@H](NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C1=O	ZINC000330271914	676682451	/nfs/dbraw/zinc/68/24/51/676682451.db2.gz	WTHWQQVCUAZMHR-ZBFHGGJFSA-N	1	0	352.479	1.095	20	30		FDEDRO
C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)NC1C[C@H](C)C[C@H](C)C1	ZINC000330362946	676685018	/nfs/dbraw/zinc/68/50/18/676685018.db2.gz	ROCUKBWISBAWRH-MZBDJJRSSA-N	1	0	358.552	1.648	20	30		FDEDRO
CS[C@@H]1CN(CC(=O)NC(=O)Nc2ccc(C)cc2C)C[C@H]1[NH+](C)C	ZINC000330506591	676694530	/nfs/dbraw/zinc/69/45/30/676694530.db2.gz	LTPRQOFYTQQHGX-HZPDHXFCSA-N	1	0	364.515	1.943	20	30		FDEDRO
CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)ccc1OC	ZINC000330594960	676697749	/nfs/dbraw/zinc/69/77/49/676697749.db2.gz	QOGOITZVYZICQL-OLZOCXBDSA-N	1	0	355.460	1.391	20	30		FDEDRO
C[C@H](CNC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O)C[NH+](C)C	ZINC000330616650	676698213	/nfs/dbraw/zinc/69/82/13/676698213.db2.gz	FBFVPRQZNYTIFA-OLZOCXBDSA-N	1	0	353.488	1.900	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)NC1CCN(C(=O)NC(C)(C)C)CC1	ZINC000330686215	676700525	/nfs/dbraw/zinc/70/05/25/676700525.db2.gz	VETDCQXOKZQUIL-CQSZACIVSA-N	1	0	354.495	1.248	20	30		FDEDRO
CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O	ZINC000330736735	676702660	/nfs/dbraw/zinc/70/26/60/676702660.db2.gz	NOCCFKAQIXSLJX-OAGGEKHMSA-N	1	0	374.551	1.615	20	30		FDEDRO
CNS(=O)(=O)c1ccc(C)c(NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c1	ZINC000330794053	676704151	/nfs/dbraw/zinc/70/41/51/676704151.db2.gz	VYEQEPQFAQNJIJ-ZDUSSCGKSA-N	1	0	366.487	1.879	20	30		FDEDRO
CNS(=O)(=O)c1cc(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)c(C)o1	ZINC000330946838	676710577	/nfs/dbraw/zinc/71/05/77/676710577.db2.gz	ATODHKGCNZSXJP-UHFFFAOYSA-N	1	0	357.476	1.923	20	30		FDEDRO
C[C@H](COc1cccc(F)c1)NC(=O)N1CC[NH+](CC(C)(C)O)CC1	ZINC000330959045	676711222	/nfs/dbraw/zinc/71/12/22/676711222.db2.gz	AVSIFZVVTVHFKH-CQSZACIVSA-N	1	0	353.438	1.896	20	30		FDEDRO
CCC(O)(CC)CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000330973054	676712136	/nfs/dbraw/zinc/71/21/36/676712136.db2.gz	DDHROXHLMHGWKH-HNNXBMFYSA-N	1	0	354.495	1.080	20	30		FDEDRO
CNS(=O)(=O)c1cccc(NC(=O)NC[C@]2([NH+](C)C)CCSC2)c1	ZINC000331108252	676717095	/nfs/dbraw/zinc/71/70/95/676717095.db2.gz	HQAXIDNOCFRUNI-OAHLLOKOSA-N	1	0	372.516	1.358	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1	ZINC000331248854	676724000	/nfs/dbraw/zinc/72/40/00/676724000.db2.gz	UUJAHIKLBOGFCZ-FZKQIMNGSA-N	1	0	350.463	1.314	20	30		FDEDRO
CCSc1nnc(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)s1	ZINC000331271409	676725098	/nfs/dbraw/zinc/72/50/98/676725098.db2.gz	NCTAFISPJNTAIR-UHFFFAOYSA-N	1	0	358.537	2.002	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)CC(C)(C)CC#N)CC1	ZINC000331325088	676727523	/nfs/dbraw/zinc/72/75/23/676727523.db2.gz	MJKROEDSZVPWLV-MRXNPFEDSA-N	1	0	356.536	1.358	20	30		FDEDRO
CS[C@@H]1CN(C(=O)Nc2cn(C)nc2C(F)(F)F)C[C@H]1[NH+](C)C	ZINC000331328567	676727609	/nfs/dbraw/zinc/72/76/09/676727609.db2.gz	QZOHBNOFWYDUGP-NXEZZACHSA-N	1	0	351.398	1.962	20	30		FDEDRO
CO[C@@]1(C)CCC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1	ZINC000332349488	676740677	/nfs/dbraw/zinc/74/06/77/676740677.db2.gz	VEOUREWHDWJELY-HKUYNNGSSA-N	1	0	350.507	1.570	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN(C)C(=O)[C@]2([NH+](C)C)CCCSC2)c1	ZINC000361218377	676887308	/nfs/dbraw/zinc/88/73/08/676887308.db2.gz	UPXVNCGZCSKOQU-IBGZPJMESA-N	1	0	359.495	1.892	20	30		FDEDRO
C=CCN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCS(=O)(=O)C1	ZINC000362858244	676925770	/nfs/dbraw/zinc/92/57/70/676925770.db2.gz	ATUGXQAPYFRFDK-RDJZCZTQSA-N	1	0	354.516	1.843	20	30		FDEDRO
Cc1c(Cl)cnc(N2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)c1C#N	ZINC000363684755	676969088	/nfs/dbraw/zinc/96/90/88/676969088.db2.gz	ZNGIVJNFONBLRJ-ZDUSSCGKSA-N	1	0	368.890	1.661	20	30		FDEDRO
C[NH+](C)C[C@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)c2ccccc2O1	ZINC000366181582	677419654	/nfs/dbraw/zinc/41/96/54/677419654.db2.gz	HSYLXMGBCVWXBF-AWEZNQCLSA-N	1	0	358.423	1.471	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)OC)CC1	ZINC000366423683	677442508	/nfs/dbraw/zinc/44/25/08/677442508.db2.gz	VECVHALMMLZUIR-WBVHZDCISA-N	1	0	351.447	1.039	20	30		FDEDRO
C=CC[C@@H](CO)NC(=O)NCC1([NH+]2CCN(C)CC2)CCCCCC1	ZINC000368302893	677499280	/nfs/dbraw/zinc/49/92/80/677499280.db2.gz	ZQELPERQFXYDMP-KRWDZBQOSA-N	1	0	352.523	1.563	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC1CC[NH+](CC2CCCCC2)CC1	ZINC000370008973	677535681	/nfs/dbraw/zinc/53/56/81/677535681.db2.gz	PLYKGXUOPWHHKN-HNNXBMFYSA-N	1	0	356.536	1.957	20	30		FDEDRO
C=C(Cl)CNC(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1	ZINC000372883967	677988150	/nfs/dbraw/zinc/98/81/50/677988150.db2.gz	PVSFTOBTXXPRPP-UHFFFAOYSA-N	1	0	352.822	1.362	20	30		FDEDRO
C[NH+](C)C[C@H]1CN(S(=O)(=O)c2cccnc2C#N)c2ccccc2O1	ZINC000372988713	678004403	/nfs/dbraw/zinc/00/44/03/678004403.db2.gz	DAOUESLIUOHFRE-ZDUSSCGKSA-N	1	0	358.423	1.471	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CCCN(Cc3ncc(Cl)n3C)CC2)C1=O	ZINC000374166800	678073654	/nfs/dbraw/zinc/07/36/54/678073654.db2.gz	YXBHJJDSQJULCZ-CQSZACIVSA-N	1	0	351.882	1.368	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1	ZINC000374634340	678088399	/nfs/dbraw/zinc/08/83/99/678088399.db2.gz	ZZJUWBXVMVWYOS-BHYGNILZSA-N	1	0	363.483	1.350	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1	ZINC000374627919	678088484	/nfs/dbraw/zinc/08/84/84/678088484.db2.gz	DQYQRUUBIQWASG-UAGQMJEPSA-N	1	0	363.483	1.350	20	30		FDEDRO
C#CCCCS(=O)(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000376345939	678281393	/nfs/dbraw/zinc/28/13/93/678281393.db2.gz	DOHYCOHQMKBRAY-CALCHBBNSA-N	1	0	356.532	1.941	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2C[C@H](OC)C[C@@H]2CC(=O)OCC)CC1	ZINC000376922319	678405255	/nfs/dbraw/zinc/40/52/55/678405255.db2.gz	JAEIYOMIUYJOJI-HZPDHXFCSA-N	1	0	353.463	1.389	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1	ZINC000377673849	678588996	/nfs/dbraw/zinc/58/89/96/678588996.db2.gz	JBOWMOFOLIKLBL-GDBMZVCRSA-N	1	0	350.850	1.687	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CCN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1	ZINC000377959346	678660203	/nfs/dbraw/zinc/66/02/03/678660203.db2.gz	QRMBXUMAJSAWBW-QRQLOZEOSA-N	1	0	359.495	1.748	20	30		FDEDRO
CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1	ZINC000378345318	678741629	/nfs/dbraw/zinc/74/16/29/678741629.db2.gz	IZHIXMQAXNTNBR-KRWDZBQOSA-N	1	0	350.488	1.550	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C	ZINC000409482993	678848821	/nfs/dbraw/zinc/84/88/21/678848821.db2.gz	HPJURARKKZBAAC-HLLBOEOZSA-N	1	0	352.504	1.994	20	30		FDEDRO
COCC[N@H+](C)CCCC1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1	ZINC000409492101	678851013	/nfs/dbraw/zinc/85/10/13/678851013.db2.gz	TXRXNFFWWVSAJF-MRXNPFEDSA-N	1	0	374.551	1.393	20	30		FDEDRO
CC[NH+](CC)[C@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)c1ccccc1	ZINC000409533801	678855134	/nfs/dbraw/zinc/85/51/34/678855134.db2.gz	HSKPWIJZNDWROE-IAGOWNOFSA-N	1	0	366.487	1.128	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)N(CC)CCC#N)[C@H](C)C1	ZINC000410125065	678880166	/nfs/dbraw/zinc/88/01/66/678880166.db2.gz	YGVZPZHSTDOQOH-HZPDHXFCSA-N	1	0	360.524	1.193	20	30		FDEDRO
C[C@H]([NH2+]C(C)(C)CNS(=O)(=O)N1CCO[C@@H](C#N)C1)c1ccccc1	ZINC000410130113	678881511	/nfs/dbraw/zinc/88/15/11/678881511.db2.gz	JPPUXPQPWJOSGM-HOCLYGCPSA-N	1	0	366.487	1.175	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NCCc1ccc(OCC[NH+](C)C)cc1	ZINC000410154736	678886886	/nfs/dbraw/zinc/88/68/86/678886886.db2.gz	LLCPIMDSOQREPP-UHFFFAOYSA-N	1	0	368.503	1.239	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](C[NH2+]C)C2)cc1	ZINC000414890204	679372501	/nfs/dbraw/zinc/37/25/01/679372501.db2.gz	HEAMLEXPVCNSSD-CQSZACIVSA-N	1	0	366.487	1.566	20	30		FDEDRO
N#Cc1cc(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1F	ZINC000415123457	679382245	/nfs/dbraw/zinc/38/22/45/679382245.db2.gz	AXBWUKCGKYNTNG-ZDUSSCGKSA-N	1	0	359.327	1.655	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)C(=O)NC(C)(C)C[NH3+]	ZINC000415382056	679419580	/nfs/dbraw/zinc/41/95/80/679419580.db2.gz	OYAFHPFLHGGUOY-UHFFFAOYSA-N	1	0	370.247	1.806	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC[NH2+]1	ZINC000415411988	679425840	/nfs/dbraw/zinc/42/58/40/679425840.db2.gz	HGDUDRMFXJUBDM-VIFPVBQESA-N	1	0	356.304	1.216	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)cc1Br	ZINC000415537457	679446731	/nfs/dbraw/zinc/44/67/31/679446731.db2.gz	GVDZLUMCGMMKMI-GFCCVEGCSA-N	1	0	351.204	1.113	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC2(C[NH3+])CCCC2)cc1	ZINC000415592742	679460497	/nfs/dbraw/zinc/46/04/97/679460497.db2.gz	CLWGCOWUWAHBPQ-LBPRGKRZSA-N	1	0	350.444	1.765	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1C(F)(F)F	ZINC000415664437	679474604	/nfs/dbraw/zinc/47/46/04/679474604.db2.gz	ZIDDWDYHURCLCZ-MNOVXSKESA-N	1	0	354.332	1.902	20	30		FDEDRO
N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1	ZINC000415823632	679515084	/nfs/dbraw/zinc/51/50/84/679515084.db2.gz	TWYNJKXEYIUXGM-UONOGXRCSA-N	1	0	360.845	1.998	20	30		FDEDRO
N#Cc1ccccc1N1CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1	ZINC000416014925	679544598	/nfs/dbraw/zinc/54/45/98/679544598.db2.gz	VSMRLFSFRXDEPS-CQSZACIVSA-N	1	0	355.364	1.670	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1	ZINC000416366363	679585726	/nfs/dbraw/zinc/58/57/26/679585726.db2.gz	CVOGAHNDWDUJSP-RBSFLKMASA-N	1	0	351.472	1.627	20	30		FDEDRO
C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)C1	ZINC000416391967	679600540	/nfs/dbraw/zinc/60/05/40/679600540.db2.gz	RMSMHJJCSSMJGC-NSHDSACASA-N	1	0	372.288	1.893	20	30		FDEDRO
COCCCC[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000419377524	680247803	/nfs/dbraw/zinc/24/78/03/680247803.db2.gz	CIQPAJUYVPSIGF-INIZCTEOSA-N	1	0	364.515	1.815	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+][C@H]1C)c1ccc(F)c(F)c1	ZINC000419677459	680317301	/nfs/dbraw/zinc/31/73/01/680317301.db2.gz	MWIPYEFJWYJESB-XZJROXQQSA-N	1	0	351.397	1.955	20	30		FDEDRO
C=CCN(CC1CCCCC1)C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C	ZINC000420012116	680389447	/nfs/dbraw/zinc/38/94/47/680389447.db2.gz	AQEIHEXPJJSKFX-ZBFHGGJFSA-N	1	0	351.491	1.811	20	30		FDEDRO
C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000420443898	680454298	/nfs/dbraw/zinc/45/42/98/680454298.db2.gz	YUMQVQKPZYHNKI-ZANVPECISA-N	1	0	358.261	1.597	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c1	ZINC000420462411	680464451	/nfs/dbraw/zinc/46/44/51/680464451.db2.gz	HMSBGVIICCBFEJ-DZGCQCFKSA-N	1	0	351.472	1.398	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c1	ZINC000420474565	680467548	/nfs/dbraw/zinc/46/75/48/680467548.db2.gz	FUQOXLDFZOOUCH-CXAGYDPISA-N	1	0	351.472	1.208	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CC(=O)N(C(C)C)C1)C(C)C	ZINC000428904945	681017566	/nfs/dbraw/zinc/01/75/66/681017566.db2.gz	IVAKHFWCGLQQOB-DLBZAZTESA-N	1	0	350.507	1.994	20	30		FDEDRO
CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)N(C)CCC#N	ZINC000439226804	681915762	/nfs/dbraw/zinc/91/57/62/681915762.db2.gz	WWLQTHKRROBBDS-SFHVURJKSA-N	1	0	364.515	1.921	20	30		FDEDRO
N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)C1	ZINC000442794114	682181534	/nfs/dbraw/zinc/18/15/34/682181534.db2.gz	RJZVTMPOKPKEDP-IXDOHACOSA-N	1	0	363.483	1.926	20	30		FDEDRO
CS[C@@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1	ZINC000451320371	682861149	/nfs/dbraw/zinc/86/11/49/682861149.db2.gz	AAXCKNAMIVMCQS-HUUCEWRRSA-N	1	0	364.540	1.894	20	30		FDEDRO
CC(C)(CC#N)CS(=O)(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1	ZINC000451332626	682863091	/nfs/dbraw/zinc/86/30/91/682863091.db2.gz	QHJIRFIWLYRMAZ-JKSUJKDBSA-N	1	0	357.520	1.614	20	30		FDEDRO
CCO[C@@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C[C@@H]1C	ZINC000451542707	682898621	/nfs/dbraw/zinc/89/86/21/682898621.db2.gz	OAAWCQGGBJOUFL-RCCFBDPRSA-N	1	0	350.507	1.426	20	30		FDEDRO
C[C@@H](CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C[NH+](C)C	ZINC000452011317	682999691	/nfs/dbraw/zinc/99/96/91/682999691.db2.gz	WTZYHSCPIACKDL-JSGCOSHPSA-N	1	0	362.861	1.878	20	30		FDEDRO
CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2ccc(C#N)s2)CC1	ZINC000452046889	683011056	/nfs/dbraw/zinc/01/10/56/683011056.db2.gz	JEEVFHSUSBUUDQ-UHFFFAOYSA-N	1	0	356.517	1.314	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1	ZINC000452098575	683026453	/nfs/dbraw/zinc/02/64/53/683026453.db2.gz	UPJXYVFIQAWHTN-MRXNPFEDSA-N	1	0	365.499	1.706	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2CCCO)cc1Cl	ZINC000452786739	683119190	/nfs/dbraw/zinc/11/91/90/683119190.db2.gz	WRHPTFMGHWYABT-AWEZNQCLSA-N	1	0	364.833	1.113	20	30		FDEDRO
CC(C)C[C@H](CNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1)[NH+](C)C	ZINC000453576538	683166230	/nfs/dbraw/zinc/16/62/30/683166230.db2.gz	VOHKXHOZICCGTI-GFCCVEGCSA-N	1	0	351.838	1.638	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC(C)(C)CN1CC[NH+](CC)CC1	ZINC000458725134	684311774	/nfs/dbraw/zinc/31/17/74/684311774.db2.gz	FXRPBSCCMNOLRE-SJORKVTESA-N	1	0	352.523	1.683	20	30		FDEDRO
CC(C)[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C1(CO)CCCC1	ZINC000459541718	684422476	/nfs/dbraw/zinc/42/24/76/684422476.db2.gz	MWEZYPLNLBTQHM-KRWDZBQOSA-N	1	0	365.499	1.894	20	30		FDEDRO
C=C(C)CN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F	ZINC000460055340	684513266	/nfs/dbraw/zinc/51/32/66/684513266.db2.gz	HTTAVOAYGJTIQC-UHFFFAOYSA-N	1	0	353.413	1.890	20	30		FDEDRO
C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1	ZINC000470053888	685001699	/nfs/dbraw/zinc/00/16/99/685001699.db2.gz	BLHWUFOWDRJUTM-KDOFPFPSSA-N	1	0	353.463	1.163	20	30		FDEDRO
CCN(CCC[NH+](C)C)C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1	ZINC000470843417	685079692	/nfs/dbraw/zinc/07/96/92/685079692.db2.gz	YMFFXPZXRJPVSA-UHFFFAOYSA-N	1	0	366.487	1.211	20	30		FDEDRO
CCC[N@H+](CC)CCNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1	ZINC000472221594	685190968	/nfs/dbraw/zinc/19/09/68/685190968.db2.gz	HPPHRVWSYYLXBU-UHFFFAOYSA-N	1	0	366.487	1.027	20	30		FDEDRO
C[NH+](C)CCOC1CCN(S(=O)(=O)CC2(C#N)CCCCC2)CC1	ZINC000476335601	685710517	/nfs/dbraw/zinc/71/05/17/685710517.db2.gz	UFVIZOKIBFHCON-UHFFFAOYSA-N	1	0	357.520	1.833	20	30		FDEDRO
Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C[C@H](C)C#N)C1CC1	ZINC000477476715	685858096	/nfs/dbraw/zinc/85/80/96/685858096.db2.gz	OTFFLBHPMSNRGU-GFCCVEGCSA-N	1	0	353.492	1.374	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1	ZINC000481032080	686283659	/nfs/dbraw/zinc/28/36/59/686283659.db2.gz	CZCVPLHIYMDYFM-HZPDHXFCSA-N	1	0	353.507	1.520	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1	ZINC000483502411	686513274	/nfs/dbraw/zinc/51/32/74/686513274.db2.gz	LDYJZTJULADGBN-NFAWXSAZSA-N	1	0	364.471	1.977	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000487782671	687001442	/nfs/dbraw/zinc/00/14/42/687001442.db2.gz	NKWDAAQVZCVVOG-IAGOWNOFSA-N	1	0	351.491	1.418	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)NCc1ccc(OCCC[NH+](C)C)cc1	ZINC000488767386	687057433	/nfs/dbraw/zinc/05/74/33/687057433.db2.gz	WDGFERGSBVYLLW-UHFFFAOYSA-N	1	0	354.476	1.197	20	30		FDEDRO
Cc1ncc(S(=O)(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cc1C#N	ZINC000489721670	687112129	/nfs/dbraw/zinc/11/21/29/687112129.db2.gz	QXMQMHODWPIMCT-OAHLLOKOSA-N	1	0	350.488	1.908	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC(C)(C)CCC#N)CC1	ZINC000495352830	687619551	/nfs/dbraw/zinc/61/95/51/687619551.db2.gz	GONVDVRLANFZAZ-UHFFFAOYSA-N	1	0	351.495	1.558	20	30		FDEDRO
N#CC1(F)CCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1	ZINC000500128849	688042379	/nfs/dbraw/zinc/04/23/79/688042379.db2.gz	CWNJDXFKDCDDRD-HOTGVXAUSA-N	1	0	352.454	1.792	20	30		FDEDRO
CS[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C[C@@H]1[NH+](C)C	ZINC000507092004	688612869	/nfs/dbraw/zinc/61/28/69/688612869.db2.gz	XWVRVVDURLRWAZ-OGHNNQOOSA-N	1	0	355.504	1.752	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1C#N	ZINC000515312416	689840134	/nfs/dbraw/zinc/84/01/34/689840134.db2.gz	KFKOMMHVTKPAIV-RDJZCZTQSA-N	1	0	364.471	1.169	20	30		FDEDRO
C=CCN(C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)[C@@H]1CCS(=O)(=O)C1	ZINC000515867600	689900413	/nfs/dbraw/zinc/90/04/13/689900413.db2.gz	WJJWPUNEEFLVRJ-HZPDHXFCSA-N	1	0	372.556	1.406	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O	ZINC000519535253	690217441	/nfs/dbraw/zinc/21/74/41/690217441.db2.gz	HBVRZJVAJBGJFB-GDBMZVCRSA-N	1	0	364.877	1.631	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2ccc(C#N)cc2F)CC1	ZINC000527389066	694669661	/nfs/dbraw/zinc/66/96/61/694669661.db2.gz	HBXGUYFZOKNDOO-CYBMUJFWSA-N	1	0	354.451	1.002	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1	ZINC000528750928	694745577	/nfs/dbraw/zinc/74/55/77/694745577.db2.gz	KYAMUBOZHLVVKA-LZQZEXGQSA-N	1	0	366.527	1.964	20	30		FDEDRO
C=CC[C@H]1[N@@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)CCCC1(C)C	ZINC000639612327	695475802	/nfs/dbraw/zinc/47/58/02/695475802.db2.gz	NLUAXBCTWALHGV-MRXNPFEDSA-N	1	0	371.547	1.593	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)n1cc(C[C@H]([NH3+])COC)nn1	ZINC000640928929	695645511	/nfs/dbraw/zinc/64/55/11/695645511.db2.gz	ISVGDKQYCVLTIF-KGLIPLIRSA-N	1	0	363.487	1.632	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1N1CCN(c2cc[nH+]cc2)CC1	ZINC000641267092	696021166	/nfs/dbraw/zinc/02/11/66/696021166.db2.gz	PDZAHDFDJYNDKT-UHFFFAOYSA-N	1	0	358.467	1.873	20	30		FDEDRO
COc1cc(C(F)(F)N2CCO[C@H]3C[NH2+]CC[C@H]3C2)c(C#N)c(Cl)n1	ZINC001164405435	718863273	/nfs/dbraw/zinc/86/32/73/718863273.db2.gz	RWXGLPXFUWASRL-GWCFXTLKSA-N	1	0	372.803	1.975	20	30		FDEDRO
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccc(C#N)c(Cl)n1	ZINC001164618273	719012302	/nfs/dbraw/zinc/01/23/02/719012302.db2.gz	RUEPVLVMRDMSGQ-SRVKXCTJSA-N	1	0	370.787	1.881	20	30		FDEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc3c(C#N)c[nH]c3n1)CC2	ZINC001164684706	719722500	/nfs/dbraw/zinc/72/25/00/719722500.db2.gz	JOXXKFWKGMIEKQ-UHFFFAOYSA-N	1	0	352.442	1.615	20	30		FDEDRO
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncccc1C#N)CCC2	ZINC001164810937	720211638	/nfs/dbraw/zinc/21/16/38/720211638.db2.gz	FRDFZZGNPQWXKY-UHFFFAOYSA-N	1	0	352.442	1.760	20	30		FDEDRO
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncccc2C#N)CC1	ZINC001164825824	720293531	/nfs/dbraw/zinc/29/35/31/720293531.db2.gz	TZVFESDHXNRDQZ-ZWKOTPCHSA-N	1	0	353.470	1.865	20	30		FDEDRO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cncc(C#N)n2)CC1	ZINC001164818897	720302670	/nfs/dbraw/zinc/30/26/70/720302670.db2.gz	BKITXUSXAMZISO-IAGOWNOFSA-N	1	0	354.458	1.260	20	30		FDEDRO
C=CCNC(=O)c1cccnc1N1Cc2nccn2C[C@H](C[NH+](C)C)C1	ZINC001164734227	720523768	/nfs/dbraw/zinc/52/37/68/720523768.db2.gz	OLSUEJUIXHECBA-HNNXBMFYSA-N	1	0	354.458	1.392	20	30		FDEDRO
COc1nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c(F)cc1C#N	ZINC001164742252	720752415	/nfs/dbraw/zinc/75/24/15/720752415.db2.gz	NTJGJBSBZJXKDS-KGLIPLIRSA-N	1	0	370.388	1.233	20	30		FDEDRO
N#Cc1cccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC001164751240	720812109	/nfs/dbraw/zinc/81/21/09/720812109.db2.gz	XPJACDWBNHLYKU-GUDVDZBRSA-N	1	0	363.469	1.924	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3ncnc(Cl)c3C#N)CC[C@@H]2C1	ZINC001164854330	720842444	/nfs/dbraw/zinc/84/24/44/720842444.db2.gz	REXONIMQLGMLIJ-OCCSQVGLSA-N	1	0	351.838	1.175	20	30		FDEDRO
COc1cc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)ncc1C#N	ZINC001164765310	721074971	/nfs/dbraw/zinc/07/49/71/721074971.db2.gz	IWZLGJQABVZWKF-WBVHZDCISA-N	1	0	352.442	1.654	20	30		FDEDRO
N#Cc1ncc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1C#N	ZINC001164880997	721157795	/nfs/dbraw/zinc/15/77/95/721157795.db2.gz	YSLCHWKJLBQCOS-HZPDHXFCSA-N	1	0	361.409	1.095	20	30		FDEDRO
CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nccc(C#N)c4F)C3)O2)CC1	ZINC001164886326	721410692	/nfs/dbraw/zinc/41/06/92/721410692.db2.gz	JALQFWKSRWXLHU-XLIONFOSSA-N	1	0	373.476	1.858	20	30		FDEDRO
CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(CC#N)ccn4)C3)O2)CC1	ZINC001164895815	721424269	/nfs/dbraw/zinc/42/42/69/721424269.db2.gz	PXPWZXWSVCPHLA-TZIWHRDSSA-N	1	0	369.513	1.913	20	30		FDEDRO
Cc1nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)cnc1C#N	ZINC001164896550	721428386	/nfs/dbraw/zinc/42/83/86/721428386.db2.gz	RMKZXCCCGWYFBN-PXNSSMCTSA-N	1	0	370.501	1.422	20	30		FDEDRO
C=CCCn1cc(C[NH2+][C@@H](Cc2ccccc2)CN2CCOCC2)nn1	ZINC000657357529	782201651	/nfs/dbraw/zinc/20/16/51/782201651.db2.gz	XQXVRWYOSDNLNU-IBGZPJMESA-N	1	0	355.486	1.887	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1	ZINC000684787562	782265271	/nfs/dbraw/zinc/26/52/71/782265271.db2.gz	BZHBSBSGZUTVSP-HKUYNNGSSA-N	1	0	373.501	1.614	20	30		FDEDRO
[NH3+]C[C@H]1CN(C(=O)NCCOC(F)(F)C(F)(F)F)C[C@@H]1C(F)(F)F	ZINC000892706345	790322624	/nfs/dbraw/zinc/32/26/24/790322624.db2.gz	UWYOMDAUAGNURI-BQBZGAKWSA-N	1	0	373.244	1.937	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)N2CC[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]32)C1	ZINC001022722775	782620603	/nfs/dbraw/zinc/62/06/03/782620603.db2.gz	BDGLSQHNLQPTOJ-WMLDXEAASA-N	1	0	369.469	1.291	20	30		FDEDRO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCN(C)[C@H](C#N)C1	ZINC000274548902	768863249	/nfs/dbraw/zinc/86/32/49/768863249.db2.gz	WPGFXCRPVFKUCA-BWPNAZKDSA-N	1	0	369.513	1.992	20	30		FDEDRO
Cn1nccc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC001020421540	769395478	/nfs/dbraw/zinc/39/54/78/769395478.db2.gz	SEMRLPYQNDQCHK-QBPKDAKJSA-N	1	0	367.428	1.971	20	30		FDEDRO
C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1	ZINC001020423007	769407600	/nfs/dbraw/zinc/40/76/00/769407600.db2.gz	MQYMMXBWDVCSLW-HTVCTNPSSA-N	1	0	359.264	1.183	20	30		FDEDRO
C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1	ZINC000784923553	769518630	/nfs/dbraw/zinc/51/86/30/769518630.db2.gz	VGKQYTCEUNPJBE-UHFFFAOYSA-N	1	0	368.437	1.000	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000245940088	769846679	/nfs/dbraw/zinc/84/66/79/769846679.db2.gz	APCVPPNWXJEUKU-CEXWTWQISA-N	1	0	361.534	1.237	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2C(F)F)C1	ZINC001022737097	782800041	/nfs/dbraw/zinc/80/00/41/782800041.db2.gz	OOYNTLDQANTACY-RQJABVFESA-N	1	0	354.401	1.686	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc3[nH]ccc3n2)C[C@H]1C	ZINC001104414495	782853280	/nfs/dbraw/zinc/85/32/80/782853280.db2.gz	ZAYRGSBRPIIBOR-HUUCEWRRSA-N	1	0	369.469	1.553	20	30		FDEDRO
Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC001020604120	770979091	/nfs/dbraw/zinc/97/90/91/770979091.db2.gz	YJZUAXXPJMURIW-QBPKDAKJSA-N	1	0	367.428	1.971	20	30		FDEDRO
C=CCc1cc(C(=O)N2CCN(C)CC[N@H+](C)CC2)cc(OC)c1OC	ZINC000888997234	771088510	/nfs/dbraw/zinc/08/85/10/771088510.db2.gz	ZUTNIJQIETUUQW-UHFFFAOYSA-N	1	0	361.486	1.752	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cccc3n[nH]nc32)C[C@H]1C	ZINC001104230167	771212926	/nfs/dbraw/zinc/21/29/26/771212926.db2.gz	JYKDIQZHCCEJSK-HUUCEWRRSA-N	1	0	355.442	1.296	20	30		FDEDRO
Cn1cc([C@@H]2C[C@H]2C(=O)NCCC[NH2+]Cc2ccc(F)c(C#N)c2)cn1	ZINC001167103205	771258308	/nfs/dbraw/zinc/25/83/08/771258308.db2.gz	PEUVRCIOBDOKFP-DLBZAZTESA-N	1	0	355.417	1.830	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCCCCC2)C1	ZINC001020726841	771304759	/nfs/dbraw/zinc/30/47/59/771304759.db2.gz	XWWWKYVNZFLFQS-DWRORGKVSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCS(=O)(=O)CC2)C1	ZINC001020726496	771308174	/nfs/dbraw/zinc/30/81/74/771308174.db2.gz	NTTYLCYORQDDGG-QAETUUGQSA-N	1	0	370.515	1.029	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)CCc2ccc(C(N)=O)cc2)C[C@H]1C	ZINC001104415159	782920101	/nfs/dbraw/zinc/92/01/01/782920101.db2.gz	BJAJGRFNRYFAAD-VQIMIIECSA-N	1	0	355.482	1.816	20	30		FDEDRO
C[C@]1(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CC1(Br)Br	ZINC000852874642	967681505	/nfs/dbraw/zinc/68/15/05/967681505.db2.gz	BSVFLJAKLJCVNX-BKPPORCPSA-N	1	0	351.042	1.110	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)Cn2ccc(C)n2)C[C@H]1C	ZINC001104239106	771585313	/nfs/dbraw/zinc/58/53/13/771585313.db2.gz	XIDGDEXAUCRMQS-ZHALLVOQSA-N	1	0	360.502	1.552	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCOCC2)C1	ZINC001104239528	771598233	/nfs/dbraw/zinc/59/82/33/771598233.db2.gz	BYNUDNRXINOBMY-IAGOWNOFSA-N	1	0	365.518	1.522	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+]CC1(CCNC(=O)[C@H]2C[C@H]2C(N)=O)CC1	ZINC001167245163	771798900	/nfs/dbraw/zinc/79/89/00/771798900.db2.gz	UBDOKTISRWFGNA-CVEARBPZSA-N	1	0	358.417	1.195	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H]2CCS(=O)(=O)C2)C1	ZINC001104246952	771807236	/nfs/dbraw/zinc/80/72/36/771807236.db2.gz	OYXYBXIHSIECHT-BRWVUGGUSA-N	1	0	356.532	1.852	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]Cc2cccc(C(N)=O)c2)CC1	ZINC001167274190	771850447	/nfs/dbraw/zinc/85/04/47/771850447.db2.gz	LJJINXILUADGBO-MSOLQXFVSA-N	1	0	371.481	1.753	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)N2CCCCC2)CC1	ZINC001167274726	771852085	/nfs/dbraw/zinc/85/20/85/771852085.db2.gz	ZOXRUGNHXUDUGA-SJORKVTESA-N	1	0	363.502	1.466	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+][C@H](C)c2nnc(CC)[nH]2)CC1	ZINC001167277525	771856481	/nfs/dbraw/zinc/85/64/81/771856481.db2.gz	NACJKVNLKYEPDI-KFWWJZLASA-N	1	0	361.490	1.895	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+][C@@H](C)C(=O)N(C)C(C)C)CC1	ZINC001167277831	771856847	/nfs/dbraw/zinc/85/68/47/771856847.db2.gz	VBNFSIUPBCAAEO-BBWFWOEESA-N	1	0	365.518	1.709	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](n2cc(C[NH2+]C(C)C)nn2)C1	ZINC001075379737	772054696	/nfs/dbraw/zinc/05/46/96/772054696.db2.gz	PAXSVSOTTQSEMR-SQNIBIBYSA-N	1	0	361.490	1.921	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4CC=CCC4)[C@@H]3C2)CC1	ZINC001021059670	772061746	/nfs/dbraw/zinc/06/17/46/772061746.db2.gz	HJRRCBWCTYNAOP-YZGWKJHDSA-N	1	0	369.509	1.747	20	30		FDEDRO
C[C@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C1C[NH+](Cc2cccc(C#N)c2)C1	ZINC000970203515	772073543	/nfs/dbraw/zinc/07/35/43/772073543.db2.gz	AUEIMTCCDWRCNN-DILOTOHQSA-N	1	0	369.465	1.546	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)/C=C(/C)C4CC4)[C@@H]3C2)CC1	ZINC001021170048	772382351	/nfs/dbraw/zinc/38/23/51/772382351.db2.gz	NTMLQBLEQINTGE-CRTYXLEASA-N	1	0	369.509	1.747	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@@H]2O)CC1	ZINC000970335942	772387726	/nfs/dbraw/zinc/38/77/26/772387726.db2.gz	XTRZIHHDMABNBY-KURKYZTESA-N	1	0	363.502	1.295	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]2O)C1	ZINC000970394903	772544613	/nfs/dbraw/zinc/54/46/13/772544613.db2.gz	JDHLVWPHQLSNFW-MSOLQXFVSA-N	1	0	371.481	1.406	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cccc(OCC(N)=O)c2)C[C@H]1C	ZINC001104262603	772547396	/nfs/dbraw/zinc/54/73/96/772547396.db2.gz	CFXUIRMFMSQHNZ-NVXWUHKLSA-N	1	0	357.454	1.262	20	30		FDEDRO
CNC(=O)NCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(C#N)s2)C1	ZINC001104264261	772570269	/nfs/dbraw/zinc/57/02/69/772570269.db2.gz	HNYDSDYKEIDDDR-CHWSQXEVSA-N	1	0	363.487	1.123	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CCCN2C(=O)CCC2=O)C[C@H]1C	ZINC001104264533	772570676	/nfs/dbraw/zinc/57/06/76/772570676.db2.gz	QMUSUHVQOITMOB-IAGOWNOFSA-N	1	0	363.502	1.956	20	30		FDEDRO
C=CCCn1cc(C[NH2+][C@@H](C)CCNS(=O)(=O)c2ccccc2)nn1	ZINC000657464589	783026358	/nfs/dbraw/zinc/02/63/58/783026358.db2.gz	UAEMVFAGZLRGNK-HNNXBMFYSA-N	1	0	363.487	1.701	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ncn(C)c32)C[C@H]1C	ZINC001104282677	772776133	/nfs/dbraw/zinc/77/61/33/772776133.db2.gz	ONFROFJUUHOASK-ZIAGYGMSSA-N	1	0	355.442	1.385	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)CC1	ZINC000275617581	772819173	/nfs/dbraw/zinc/81/91/73/772819173.db2.gz	MKQDBXKSNPGBII-WMZOPIPTSA-N	1	0	361.490	1.817	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1cn(CC)nn1)C2	ZINC001112486377	772968460	/nfs/dbraw/zinc/96/84/60/772968460.db2.gz	PBPXRKNBBSCXAN-YOEHRIQHSA-N	1	0	351.882	1.811	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1ccnn1C)C2	ZINC001112486388	772971422	/nfs/dbraw/zinc/97/14/22/772971422.db2.gz	PJEUGMCORAIEOB-OOSNJVJTSA-N	1	0	372.513	1.945	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ccn(C)c(=O)c2)C1	ZINC000970572811	772990648	/nfs/dbraw/zinc/99/06/48/772990648.db2.gz	ZXWMKHCMRPLWOH-LJHODMEESA-N	1	0	359.470	1.303	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C	ZINC001021405213	773218109	/nfs/dbraw/zinc/21/81/09/773218109.db2.gz	WITKBHQIRRETKE-ZAXTYVKMSA-N	1	0	363.502	1.558	20	30		FDEDRO
C[NH+](C)C1(C(=O)N2C[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)CCC1	ZINC001021429825	773315699	/nfs/dbraw/zinc/31/56/99/773315699.db2.gz	SARZPJDYFRJLHD-XJKSGUPXSA-N	1	0	355.442	1.044	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)[C@@H](O)C1	ZINC000970798323	773654528	/nfs/dbraw/zinc/65/45/28/773654528.db2.gz	HVVUGARECISCAC-IKGGRYGDSA-N	1	0	365.518	1.541	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1COCCN1CCCC)C2	ZINC001112492957	773732427	/nfs/dbraw/zinc/73/24/27/773732427.db2.gz	KYDJJIMDWVDMBD-ZVDOUQERSA-N	1	0	361.530	1.729	20	30		FDEDRO
COc1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1-n1nnnc1C	ZINC000328748301	774620670	/nfs/dbraw/zinc/62/06/70/774620670.db2.gz	LYYGFQJSCSINRI-HUUCEWRRSA-N	1	0	371.445	1.741	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)c4c[nH]cc4C)[C@@H]3C2)CC1	ZINC001021701071	774681548	/nfs/dbraw/zinc/68/15/48/774681548.db2.gz	WPVSUPQKZZKGJW-PKOBYXMFSA-N	1	0	368.481	1.341	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)C(=O)C(C)(C)C)C1=O	ZINC001087136700	774692113	/nfs/dbraw/zinc/69/21/13/774692113.db2.gz	FAOVRDRIEFERSZ-PMPSAXMXSA-N	1	0	363.502	1.605	20	30		FDEDRO
CC(=O)Nc1cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)ccc1C	ZINC000275958946	774761599	/nfs/dbraw/zinc/76/15/99/774761599.db2.gz	ZWQJNUXCWOSQDN-UHFFFAOYSA-N	1	0	373.457	1.586	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cc(C#N)ccc1OC	ZINC000275973373	774781833	/nfs/dbraw/zinc/78/18/33/774781833.db2.gz	VAHBTKGAMCBGQI-CABCVRRESA-N	1	0	356.426	1.591	20	30		FDEDRO
CNC(=O)CC1CCN(C(NCC2(C(=O)N(C)C)CCCC2)=[NH+]C)CC1	ZINC000261671274	774846949	/nfs/dbraw/zinc/84/69/49/774846949.db2.gz	CADQWUWDZXPKJO-UHFFFAOYSA-N	1	0	365.522	1.059	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1CC[NH2+]Cc1ccccc1C#N	ZINC001104325800	775042555	/nfs/dbraw/zinc/04/25/55/775042555.db2.gz	VVTQVQBOYAPBSU-RHSMWYFYSA-N	1	0	365.437	1.942	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2CN(C)CCO2)[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001087141408	775152025	/nfs/dbraw/zinc/15/20/25/775152025.db2.gz	LJHFUPVVHLPWEY-LSTHTHJFSA-N	1	0	370.497	1.606	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2CN(C)CCO2)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087141729	775157374	/nfs/dbraw/zinc/15/73/74/775157374.db2.gz	UTXQJDLDDDONPF-LSTHTHJFSA-N	1	0	370.497	1.606	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](O)COCCOC)C1	ZINC001104731628	790392694	/nfs/dbraw/zinc/39/26/94/790392694.db2.gz	PPWBPKAALGLFID-KURKYZTESA-N	1	0	370.534	1.687	20	30		FDEDRO
C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C[NH+](CC)CC)cc2)C1=O	ZINC000276137997	775951179	/nfs/dbraw/zinc/95/11/79/775951179.db2.gz	AYNWDILIXIWAMK-UHFFFAOYSA-N	1	0	372.425	1.444	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H](C[NH2+][C@H]2CCCN(C)C2=O)C1	ZINC001087151164	775994986	/nfs/dbraw/zinc/99/49/86/775994986.db2.gz	YFVNEYGWHZWFGJ-KBMXLJTQSA-N	1	0	357.458	1.337	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccsc2)C[C@H]1C	ZINC001104350643	776383870	/nfs/dbraw/zinc/38/38/70/776383870.db2.gz	CTIVEBUQLZLJKD-XYVMCAHJSA-N	1	0	373.522	1.675	20	30		FDEDRO
C=C(C)C[C@H](CO)NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1	ZINC000891404841	776908890	/nfs/dbraw/zinc/90/88/90/776908890.db2.gz	QKAMXJLMYYHUFP-CQSZACIVSA-N	1	0	367.421	1.148	20	30		FDEDRO
C=C(C)C[C@H](CO)NC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1	ZINC000891412758	776938173	/nfs/dbraw/zinc/93/81/73/776938173.db2.gz	QPMPCHMYWMDXRF-QGZVFWFLSA-N	1	0	374.485	1.210	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cnnc(C)c2)C1=O	ZINC001087156574	777075034	/nfs/dbraw/zinc/07/50/34/777075034.db2.gz	PBYZVCDLGTUXQB-FHLIZLRMSA-N	1	0	371.485	1.402	20	30		FDEDRO
Cc1nnc(CNC(=[NH+]C2CC2)N2CCN(Cc3cccs3)CC2)n1C	ZINC000261934299	777525425	/nfs/dbraw/zinc/52/54/25/777525425.db2.gz	CCZNNPZJPODWND-UHFFFAOYSA-N	1	0	373.530	1.611	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2c(C)nnn2CC)C1	ZINC000971555449	777594066	/nfs/dbraw/zinc/59/40/66/777594066.db2.gz	GCHARBUWKZXNSI-JZXOWHBKSA-N	1	0	361.490	1.620	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2ncn(C)n2)[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001087162063	778005973	/nfs/dbraw/zinc/00/59/73/778005973.db2.gz	NPCUJUFOXHKJJZ-PBHICJAKSA-N	1	0	352.442	1.717	20	30		FDEDRO
COc1ccc(C[C@@](C)(CO)[NH2+]C[C@H](O)CC2(C#N)CCOCC2)cc1	ZINC000933430295	778109433	/nfs/dbraw/zinc/10/94/33/778109433.db2.gz	MRRAVVVBLKOQKI-MJGOQNOKSA-N	1	0	362.470	1.650	20	30		FDEDRO
COc1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c(O)c1OC	ZINC000891558189	778317046	/nfs/dbraw/zinc/31/70/46/778317046.db2.gz	ABGFEENUDDFZQD-UHFFFAOYSA-N	1	0	354.410	1.998	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)COC2CCCCC2)C[C@H]1C	ZINC001104373922	778569138	/nfs/dbraw/zinc/56/91/38/778569138.db2.gz	FTVNNQDIZRUGMA-IAGOWNOFSA-N	1	0	363.502	1.159	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)C[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)cn1	ZINC001022211257	778640066	/nfs/dbraw/zinc/64/00/66/778640066.db2.gz	PPEBYXNFAQCKBL-HHXXYDBFSA-N	1	0	366.465	1.078	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1ccccn1)C2	ZINC001112507143	778729883	/nfs/dbraw/zinc/72/98/83/778729883.db2.gz	YHEWRDYLJMDEGT-RXVVDRJESA-N	1	0	355.482	1.882	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)CC[N@@H+]1C	ZINC000971706094	778745371	/nfs/dbraw/zinc/74/53/71/778745371.db2.gz	OTKGHCIXXMDYFP-CYGHRXIMSA-N	1	0	369.469	1.290	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2c(C(=O)OC)nnn2-c2ccccc2)CC1	ZINC000891729354	779194629	/nfs/dbraw/zinc/19/46/29/779194629.db2.gz	MHIVQVKSHVWBSS-UHFFFAOYSA-N	1	0	367.409	1.338	20	30		FDEDRO
C=C(C)CN1C[C@H]2OCCN(C(=O)c3cccc(-n4cccn4)c3)[C@H]2C1	ZINC001083224966	779230966	/nfs/dbraw/zinc/23/09/66/779230966.db2.gz	YZAPNCDGPULPRS-RBUKOAKNSA-N	1	0	352.438	1.974	20	30		FDEDRO
N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2C=CCC2)C[C@H]1c1ccccc1	ZINC001211524536	779320809	/nfs/dbraw/zinc/32/08/09/779320809.db2.gz	PDMCTMWZWVVWAL-NZSAHSFTSA-N	1	0	366.465	1.567	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCCO4)[C@@H]3C2)cc1C#N	ZINC001075525909	790717914	/nfs/dbraw/zinc/71/79/14/790717914.db2.gz	WKZYQFOGOOLMOG-WDYCEAGBSA-N	1	0	355.438	1.779	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[C@H]4[NH2+]CC[C@@H]43)C2=O)cc1	ZINC000891851727	779754520	/nfs/dbraw/zinc/75/45/20/779754520.db2.gz	NZUZZZJIGGQYEH-SQNIBIBYSA-N	1	0	367.453	1.195	20	30		FDEDRO
C#C[C@H]1CCCCN1C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1	ZINC000891861482	779823163	/nfs/dbraw/zinc/82/31/63/779823163.db2.gz	PCYAVSSKAXPCPW-SFHVURJKSA-N	1	0	355.486	1.921	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@](O)(C2(C(=O)OC)CCC2)C1	ZINC000933843562	779855920	/nfs/dbraw/zinc/85/59/20/779855920.db2.gz	YMRBSDLUCHDCCF-JXFKEZNVSA-N	1	0	364.486	1.746	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H]3NC(=O)c4ccccc43)[C@H]2C1	ZINC001083229591	779968600	/nfs/dbraw/zinc/96/86/00/779968600.db2.gz	INZQUYKRKODQOS-CEXWTWQISA-N	1	0	369.465	1.739	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1	ZINC000276872830	779978651	/nfs/dbraw/zinc/97/86/51/779978651.db2.gz	CUUNJYQEWUMBMF-CRAIPNDOSA-N	1	0	364.396	1.588	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1	ZINC000276878609	779986322	/nfs/dbraw/zinc/98/63/22/779986322.db2.gz	DLQKKCMWONTBNB-QAPCUYQASA-N	1	0	364.396	1.588	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1	ZINC000971851425	779988085	/nfs/dbraw/zinc/98/80/85/779988085.db2.gz	POLNKYSFZRYDBU-ZTFGCOKTSA-N	1	0	369.469	1.434	20	30		FDEDRO
[NH2+]=C(NCCC(=O)N1CCN(c2ccccn2)CC1)NC1CCCCCC1	ZINC000092277916	780108623	/nfs/dbraw/zinc/10/86/23/780108623.db2.gz	KVZOJYVEZCICHI-UHFFFAOYSA-N	1	0	372.517	1.747	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001087184351	780351152	/nfs/dbraw/zinc/35/11/52/780351152.db2.gz	ITTNFVDKNJQCKQ-LZQZEXGQSA-N	1	0	368.481	1.801	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1	ZINC000510968680	780445632	/nfs/dbraw/zinc/44/56/32/780445632.db2.gz	NPXGUGCPERBZQM-OLZOCXBDSA-N	1	0	374.407	1.718	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc4c3OCCCO4)[C@H]2C1	ZINC001083234198	781205604	/nfs/dbraw/zinc/20/56/04/781205604.db2.gz	QUZKQCGBUHIUJS-FUHWJXTLSA-N	1	0	358.438	1.949	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CCS(=O)(=O)C2)C[C@H]1C	ZINC001104396679	781224053	/nfs/dbraw/zinc/22/40/53/781224053.db2.gz	XWUGWOJKEIZWES-BRWVUGGUSA-N	1	0	356.532	1.852	20	30		FDEDRO
N#Cc1cccc(CCNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)c1	ZINC000431301728	781461944	/nfs/dbraw/zinc/46/19/44/781461944.db2.gz	LRDDZXIMIBOCER-UHFFFAOYSA-N	1	0	371.485	1.392	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3CN(C(=O)[C@H](C4CC4)[NH+](C)C)C[C@H]32)c1	ZINC001022635126	781693654	/nfs/dbraw/zinc/69/36/54/781693654.db2.gz	MCIZJGMAKRLHJT-UHOSZYNNSA-N	1	0	366.465	1.076	20	30		FDEDRO
Cn1cc(C[NH2+][C@@H]2CN(C(=O)CSCC#N)C[C@H]2c2ccccc2)cn1	ZINC001211537875	781762505	/nfs/dbraw/zinc/76/25/05/781762505.db2.gz	GKYYPXNFINDVRG-ZWKOTPCHSA-N	1	0	369.494	1.761	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H](C)OC)C[C@H]1c1ccccc1	ZINC001211555064	783512645	/nfs/dbraw/zinc/51/26/45/783512645.db2.gz	LLWZKZCIXCBAJI-RYQLBKOJSA-N	1	0	359.470	1.298	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1	ZINC001024120395	783756894	/nfs/dbraw/zinc/75/68/94/783756894.db2.gz	AWFOSYOGCWHWBT-QLFBSQMISA-N	1	0	371.909	1.327	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3ccc(C)cc3)C[C@H]21	ZINC000972834599	783901005	/nfs/dbraw/zinc/90/10/05/783901005.db2.gz	ARUZGONMXPIWOW-HSALFYBXSA-N	1	0	365.477	1.766	20	30		FDEDRO
C=CCN(C(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1OC)[C@H](C)COC	ZINC000658371081	783974709	/nfs/dbraw/zinc/97/47/09/783974709.db2.gz	HEGIEXDDAUQURZ-CQSZACIVSA-N	1	0	363.458	1.745	20	30		FDEDRO
C=CCCNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC	ZINC000658390359	783989122	/nfs/dbraw/zinc/98/91/22/783989122.db2.gz	YJHKPSZCOGPSJR-UHFFFAOYSA-N	1	0	360.458	1.468	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N(CC)[C@@H]2CC[N@H+](CC)C2)cc1	ZINC000658466455	784104790	/nfs/dbraw/zinc/10/47/90/784104790.db2.gz	HEDZVXODVUMUHG-QGZVFWFLSA-N	1	0	372.469	1.484	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@H]2O)C1	ZINC001025542194	790998032	/nfs/dbraw/zinc/99/80/32/790998032.db2.gz	MJAITKQWMNHEDR-GVDBMIGSSA-N	1	0	363.502	1.295	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2c(C)nnn2CC)C1	ZINC001024164371	784152839	/nfs/dbraw/zinc/15/28/39/784152839.db2.gz	BGDSQAAJPITDDY-NUJGCVRESA-N	1	0	361.490	1.526	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ncnn2CCC)C1	ZINC001024165871	784175763	/nfs/dbraw/zinc/17/57/63/784175763.db2.gz	XBUZAVHYPYUTEN-ZACQAIPSSA-N	1	0	361.490	1.607	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ncc(OC)cn2)C[C@H]1c1ccccc1	ZINC001211631422	784810462	/nfs/dbraw/zinc/81/04/62/784810462.db2.gz	FORMZEMSVUAACK-ZWKOTPCHSA-N	1	0	350.422	1.706	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)Cc3ccc4c(c3)OCCO4)[C@H]2C1	ZINC001083267006	785063280	/nfs/dbraw/zinc/06/32/80/785063280.db2.gz	DRVSRAMCMVQNSF-QFBILLFUSA-N	1	0	358.438	1.488	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3nnnn3c2)C[C@H]1c1ccccc1	ZINC001211632683	785068759	/nfs/dbraw/zinc/06/87/59/785068759.db2.gz	GWNFDRNSNKWCIQ-ZWKOTPCHSA-N	1	0	362.437	1.898	20	30		FDEDRO
CN(c1ccc(C#N)cc1[N+](=O)[O-])C1CC[NH+](CC(=O)N2CCCC2)CC1	ZINC000365184440	785316852	/nfs/dbraw/zinc/31/68/52/785316852.db2.gz	GDLDMKUIBQDMBV-UHFFFAOYSA-N	1	0	371.441	1.989	20	30		FDEDRO
CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1	ZINC001024650696	785619242	/nfs/dbraw/zinc/61/92/42/785619242.db2.gz	IYRFHNKAOXIMHB-OKZBNKHCSA-N	1	0	361.486	1.150	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1	ZINC001024652606	785626557	/nfs/dbraw/zinc/62/65/57/785626557.db2.gz	QSEOGFASYNBGBP-GBESFXJTSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC[N@H+](C)C[C@H](C(=O)OC)C2)cc1OC	ZINC000413923988	785809518	/nfs/dbraw/zinc/80/95/18/785809518.db2.gz	RTHZAQQZQBWFPN-HNNXBMFYSA-N	1	0	362.426	1.437	20	30		FDEDRO
C[C@H]1CCOCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000376149922	786011809	/nfs/dbraw/zinc/01/18/09/786011809.db2.gz	KFMYOMKVKQWKQR-LPHOPBHVSA-N	1	0	374.460	1.645	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCCc3nc(C)no3)C[C@H]21	ZINC000978709616	805684251	/nfs/dbraw/zinc/68/42/51/805684251.db2.gz	AUBQMHMMJDRBLL-MTSZKFMLSA-N	1	0	360.458	1.196	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21	ZINC000978718973	805693563	/nfs/dbraw/zinc/69/35/63/805693563.db2.gz	LCGBHFAOUCOKRR-LJDSDSDDSA-N	1	0	365.477	1.056	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnn3c2C[C@H](C)CC3)C1	ZINC001111958574	787417191	/nfs/dbraw/zinc/41/71/91/787417191.db2.gz	NEVLIGUVEAZLIB-WWMYMODYSA-N	1	0	370.497	1.700	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)C1	ZINC000472568595	787474872	/nfs/dbraw/zinc/47/48/72/787474872.db2.gz	GMAAKVQASLQCRZ-GOSISDBHSA-N	1	0	372.469	1.247	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC3CC2(C[NH3+])C3)cc1	ZINC000658985844	787730304	/nfs/dbraw/zinc/73/03/04/787730304.db2.gz	KDKKVKUCOWGKBH-UHFFFAOYSA-N	1	0	364.471	1.448	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2CC[C@@H](C(N)=O)O2)cc1	ZINC001025085134	787795974	/nfs/dbraw/zinc/79/59/74/787795974.db2.gz	NCGMKXHRCJDBES-FGTMMUONSA-N	1	0	370.453	1.062	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cnnn1C	ZINC001025108370	787928016	/nfs/dbraw/zinc/92/80/16/787928016.db2.gz	XZCXUSQDAXKMQB-NJAFHUGGSA-N	1	0	361.490	1.657	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C)C[NH2+]C	ZINC000659111887	788213134	/nfs/dbraw/zinc/21/31/34/788213134.db2.gz	LBCVCLMOKXEQNF-SNVBAGLBSA-N	1	0	370.247	1.677	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CNC(=O)[C@H](C)CC)C1	ZINC001111989236	788259298	/nfs/dbraw/zinc/25/92/98/788259298.db2.gz	ZQSAFOUOUFEEOF-GJYPPUQNSA-N	1	0	351.491	1.322	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CS(=O)(=O)NC)C1	ZINC001111988931	788268504	/nfs/dbraw/zinc/26/85/04/788268504.db2.gz	VDCDMHUEBPLJKL-RDJZCZTQSA-N	1	0	357.520	1.253	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3cccnc32)C[C@H]1C	ZINC001104594372	788783501	/nfs/dbraw/zinc/78/35/01/788783501.db2.gz	UBRPNTGHHIOHTL-NXHRZFHOSA-N	1	0	370.497	1.488	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cccnc2C)C[C@H]1C	ZINC001104601461	788838800	/nfs/dbraw/zinc/83/88/00/788838800.db2.gz	ODVDNGVJEBECAU-HYVNUMGLSA-N	1	0	356.470	1.216	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCNC(=O)C2CCC2)C[C@H]1c1ccccc1	ZINC001211687870	805914206	/nfs/dbraw/zinc/91/42/06/805914206.db2.gz	DGYWTLFUVZDUPP-RBUKOAKNSA-N	1	0	353.466	1.510	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1	ZINC001104613623	788892008	/nfs/dbraw/zinc/89/20/08/788892008.db2.gz	QVQFGBUKAJONAE-RHSMWYFYSA-N	1	0	354.454	1.398	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccc(Cl)[nH]2)C[C@H]1C	ZINC001104648029	789161217	/nfs/dbraw/zinc/16/12/17/789161217.db2.gz	HUJUIDUGGCVVJP-MGPQQGTHSA-N	1	0	364.877	1.494	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCN(C)S(C)(=O)=O)C2)C1	ZINC001104651953	789174197	/nfs/dbraw/zinc/17/41/97/789174197.db2.gz	GDWKSAYEHKDPEA-HZPDHXFCSA-N	1	0	371.547	1.308	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1)c1ccsc1	ZINC001104669456	789276937	/nfs/dbraw/zinc/27/69/37/789276937.db2.gz	FTLHZOYVHNLTHZ-QLFBSQMISA-N	1	0	362.499	1.566	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1	ZINC001104675097	789294668	/nfs/dbraw/zinc/29/46/68/789294668.db2.gz	QSIIKCBYVLZFHA-FQELHTAISA-N	1	0	368.481	1.659	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2Cc3ccncc3C2)C[C@H]1C	ZINC001104682266	789363064	/nfs/dbraw/zinc/36/30/64/789363064.db2.gz	JTHJVDGDMACAEI-BHIYHBOVSA-N	1	0	355.482	1.520	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CCCN(Cc3nccn3C)C2=O)cc1C#N	ZINC000782977514	789538376	/nfs/dbraw/zinc/53/83/76/789538376.db2.gz	GJGZSMPSTTXOOG-MRXNPFEDSA-N	1	0	353.426	1.581	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cc(C)n(C)n2)C1	ZINC001104704307	789553312	/nfs/dbraw/zinc/55/33/12/789553312.db2.gz	RLQPZFLHSHRCMB-OPNNQBFTSA-N	1	0	360.502	1.894	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccnc2)C[C@H]1C	ZINC001104710128	789642987	/nfs/dbraw/zinc/64/29/87/789642987.db2.gz	UVEFHWVPYHLMTC-RSPOEFSDSA-N	1	0	355.482	1.909	20	30		FDEDRO
C=C[C@H](CO)[NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1	ZINC000662165716	806047977	/nfs/dbraw/zinc/04/79/77/806047977.db2.gz	MURFEXDVLZHKBY-PBHICJAKSA-N	1	0	351.878	1.730	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CS(=O)(=O)N(CC)CC)C[C@H]1C	ZINC001104744964	791254235	/nfs/dbraw/zinc/25/42/35/791254235.db2.gz	ARYSURXNTLPGDM-HZPDHXFCSA-N	1	0	359.536	1.308	20	30		FDEDRO
C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000377336425	791573879	/nfs/dbraw/zinc/57/38/79/791573879.db2.gz	UTZFNNBFQOFSTM-RHSMWYFYSA-N	1	0	352.438	1.533	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1cccnc1C)C2	ZINC001112529242	806081506	/nfs/dbraw/zinc/08/15/06/806081506.db2.gz	OVJINWLRNNOQJK-FPOVZHCZSA-N	1	0	355.482	1.801	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CC23CCN(c2cncc(C#N)n2)CC3)CC[N@@H+]1C	ZINC001058656308	791721272	/nfs/dbraw/zinc/72/12/72/791721272.db2.gz	ZZECLSGSGGCXOE-BBWFWOEESA-N	1	0	368.485	1.554	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@]2(C)CCC(=O)N2)C1	ZINC001112029001	791793716	/nfs/dbraw/zinc/79/37/16/791793716.db2.gz	MGHCHJFVNHYELM-VDGAXYAQSA-N	1	0	363.502	1.609	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C2CCC2)[C@H]2CCCO2)CC1	ZINC000636676083	806104272	/nfs/dbraw/zinc/10/42/72/806104272.db2.gz	DENFGVQTUXJDML-MSOLQXFVSA-N	1	0	363.502	1.607	20	30		FDEDRO
CCCN(C(=O)C(=O)Nc1cc(C#N)ccc1OCCOC)[C@H]1CC[NH2+]C1	ZINC000415389082	792161203	/nfs/dbraw/zinc/16/12/03/792161203.db2.gz	FXRHEAJQWJIZLC-HNNXBMFYSA-N	1	0	374.441	1.122	20	30		FDEDRO
C[C@H]1CCCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)[C@@H]1C[NH3+]	ZINC000415437556	792257027	/nfs/dbraw/zinc/25/70/27/792257027.db2.gz	KSQGYGJVUSFDER-BLLLJJGKSA-N	1	0	356.405	2.474	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])n1	ZINC000415438215	792257966	/nfs/dbraw/zinc/25/79/66/792257966.db2.gz	LUBZKZBINUUHAF-SWLSCSKDSA-N	1	0	356.405	2.522	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1	ZINC000415458663	792303770	/nfs/dbraw/zinc/30/37/70/792303770.db2.gz	YRORNBRKARLNQT-HIFRSBDPSA-N	1	0	374.441	1.108	20	30		FDEDRO
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NCC(C)(C)[NH3+])c1C	ZINC000415460395	792308969	/nfs/dbraw/zinc/30/89/69/792308969.db2.gz	AHQZSMHCNRYWOV-UHFFFAOYSA-N	1	0	354.414	1.153	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])cc1	ZINC000415471115	792324215	/nfs/dbraw/zinc/32/42/15/792324215.db2.gz	PMWMYPOKRLLITM-QGZVFWFLSA-N	1	0	370.453	1.389	20	30		FDEDRO
CN(Cc1cnc2ccc(C#N)cn12)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000377626208	792341080	/nfs/dbraw/zinc/34/10/80/792341080.db2.gz	MADJTTOEOLAIJQ-GOSISDBHSA-N	1	0	352.486	1.806	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)COc3cc(F)cc(F)c3)[C@H]2C1	ZINC001083286386	792376131	/nfs/dbraw/zinc/37/61/31/792376131.db2.gz	HGDPLKLEIGIAQX-DLBZAZTESA-N	1	0	352.381	1.831	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1C#N	ZINC000415581894	792597349	/nfs/dbraw/zinc/59/73/49/792597349.db2.gz	NZODHPUZMNJURM-JQFCIGGWSA-N	1	0	370.453	1.870	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1	ZINC000415583204	792615748	/nfs/dbraw/zinc/61/57/48/792615748.db2.gz	QOCRSULIGLDIFJ-UAGQMJEPSA-N	1	0	370.453	1.127	20	30		FDEDRO
C[C@H](CC1CCCC1)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104749778	792823055	/nfs/dbraw/zinc/82/30/55/792823055.db2.gz	IGXODKHOXZPXGK-JFIYKMOQSA-N	1	0	362.518	1.917	20	30		FDEDRO
COC[C@]1(CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CCC[NH2+]1	ZINC000415715798	792862728	/nfs/dbraw/zinc/86/27/28/792862728.db2.gz	ZEROKFHJBDTTGY-LJQANCHMSA-N	1	0	358.442	1.311	20	30		FDEDRO
CC[C@H]([NH3+])CNC(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1	ZINC000415777509	792974577	/nfs/dbraw/zinc/97/45/77/792974577.db2.gz	DAHBSXVTLOLNAY-AWEZNQCLSA-N	1	0	354.414	1.153	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)cc1C#N	ZINC000415851235	793168320	/nfs/dbraw/zinc/16/83/20/793168320.db2.gz	YYBHEPGBQSRAHM-MRXNPFEDSA-N	1	0	358.442	1.918	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1	ZINC000415879805	793276102	/nfs/dbraw/zinc/27/61/02/793276102.db2.gz	QHRQIYFSTLARGF-ZWKOTPCHSA-N	1	0	370.453	1.550	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](O)Cc3ccccc3)C[C@H]21	ZINC001026101800	793302167	/nfs/dbraw/zinc/30/21/67/793302167.db2.gz	HGYZNBMIRVRONO-BCRJPVCJSA-N	1	0	370.493	1.618	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(C(C)C)no2)C[C@H]1C	ZINC001104753980	793308390	/nfs/dbraw/zinc/30/83/90/793308390.db2.gz	XRCDHZWXWVOFLR-HUUCEWRRSA-N	1	0	360.458	1.235	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1	ZINC000979325373	806236970	/nfs/dbraw/zinc/23/69/70/806236970.db2.gz	RODXTPFNKFPVOW-TWMKSMIVSA-N	1	0	361.486	1.217	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccccc2)C[C@H]1C	ZINC001104761507	793532770	/nfs/dbraw/zinc/53/27/70/793532770.db2.gz	LUQJNFBEKDUNCO-AFYVEPGGSA-N	1	0	367.493	1.614	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](NC(=O)COC)C(C)C)C[C@H]1C	ZINC001104761622	793533416	/nfs/dbraw/zinc/53/34/16/793533416.db2.gz	SRRLGZCBWXRRFU-LMMKCTJWSA-N	1	0	367.534	1.814	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc3c(c2)COC3)C[C@H]1C	ZINC001104785770	793670336	/nfs/dbraw/zinc/67/03/36/793670336.db2.gz	CAVACWUSGZDNOS-NVXWUHKLSA-N	1	0	369.465	1.154	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)nn2)C[C@H]1C	ZINC001104790897	793686525	/nfs/dbraw/zinc/68/65/25/793686525.db2.gz	IWDWBYKLOZLKQQ-HZPDHXFCSA-N	1	0	352.442	1.373	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(OC)c(C)c2)C[C@H]1C	ZINC001104793891	793710223	/nfs/dbraw/zinc/71/02/23/793710223.db2.gz	NPBDUJFTMAFCAE-SJLPKXTDSA-N	1	0	371.481	1.441	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]CC[C@@H]1CN(C(=O)c2cnon2)C[C@H]1C	ZINC001104816584	793871141	/nfs/dbraw/zinc/87/11/41/793871141.db2.gz	DCPFOINRDYJCFE-UKRRQHHQSA-N	1	0	369.425	1.838	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000378298435	793911097	/nfs/dbraw/zinc/91/10/97/793911097.db2.gz	ZPTQXJCJGDTUKY-PMACEKPBSA-N	1	0	370.497	1.873	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2nc(C)oc2C)C[C@H]1C	ZINC001104830850	793949887	/nfs/dbraw/zinc/94/98/87/793949887.db2.gz	JULAAFAFZCDKDT-XJKCOSOUSA-N	1	0	360.458	1.117	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2nccs2)C[C@H]1C	ZINC001104831479	793959905	/nfs/dbraw/zinc/95/99/05/793959905.db2.gz	ZVGDDOLCQVYNPK-HZSPNIEDSA-N	1	0	350.488	1.522	20	30		FDEDRO
C=CCc1cc(C[NH+]2CCC([C@@]3(C)NC(=O)NC3=O)CC2)cc(OC)c1O	ZINC000378341570	793980352	/nfs/dbraw/zinc/98/03/52/793980352.db2.gz	LLIFAXAUIFOCFE-HXUWFJFHSA-N	1	0	373.453	1.939	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1	ZINC001104845979	794036524	/nfs/dbraw/zinc/03/65/24/794036524.db2.gz	CWIBVYGXZTUXQI-DNVCBOLYSA-N	1	0	368.481	1.659	20	30		FDEDRO
C[C@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)CCN1C1CC[NH+](C)CC1	ZINC000378373409	794037644	/nfs/dbraw/zinc/03/76/44/794037644.db2.gz	WHVXZAUBWHUUOH-KRWDZBQOSA-N	1	0	370.497	1.758	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCC2)C[C@H]1C	ZINC001104855364	794074966	/nfs/dbraw/zinc/07/49/66/794074966.db2.gz	IYITZLHLDBNANU-HZPDHXFCSA-N	1	0	356.532	1.994	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1	ZINC000378412865	794103911	/nfs/dbraw/zinc/10/39/11/794103911.db2.gz	SDBQXMFUKXMNTJ-IRXDYDNUSA-N	1	0	360.502	1.862	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(F)CCCCC2)C[C@H]1C	ZINC001104871482	794144458	/nfs/dbraw/zinc/14/44/58/794144458.db2.gz	IQGYRNXRRPQYTN-BRWVUGGUSA-N	1	0	365.493	1.871	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cc(Cn3cccn3)on2)C[C@H]1C	ZINC001104889447	794229891	/nfs/dbraw/zinc/22/98/91/794229891.db2.gz	GVAMFPVIIOMFPB-HZPDHXFCSA-N	1	0	355.442	1.631	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCNC(=O)C3CC3)C2)cn1	ZINC001104927811	794436603	/nfs/dbraw/zinc/43/66/03/794436603.db2.gz	VWXBTQJQXNYPLI-CRAIPNDOSA-N	1	0	368.481	1.277	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccccc2OC)C[C@H]1C	ZINC001104941067	794497727	/nfs/dbraw/zinc/49/77/27/794497727.db2.gz	OGUMDTVSLROJEG-BRWVUGGUSA-N	1	0	371.481	1.521	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104941967	794499428	/nfs/dbraw/zinc/49/94/28/794499428.db2.gz	YCLCOINPBMKELX-UKRRQHHQSA-N	1	0	362.861	1.668	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cn(C)nn2)C1	ZINC001104954515	794551208	/nfs/dbraw/zinc/55/12/08/794551208.db2.gz	GEIAAQJTAREOIW-VQIMIIECSA-N	1	0	365.481	1.613	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC2CC2)C1	ZINC001104954572	794552687	/nfs/dbraw/zinc/55/26/87/794552687.db2.gz	ISEAORZCPFRQDA-VQIMIIECSA-N	1	0	367.493	1.563	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1	ZINC000974163446	794578943	/nfs/dbraw/zinc/57/89/43/794578943.db2.gz	QXXBTNWMRYGKHN-WKULXVSPSA-N	1	0	361.486	1.073	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000974187803	794673309	/nfs/dbraw/zinc/67/33/09/794673309.db2.gz	UJZDOWDPOHFEDO-WCXIOVBPSA-N	1	0	371.481	1.969	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1	ZINC000974188444	794676978	/nfs/dbraw/zinc/67/69/78/794676978.db2.gz	OQBNSUGXSILUJM-WEVKCVHISA-N	1	0	363.502	1.461	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(-n3cnnn3)cc2)C[C@H]1C	ZINC001104984989	794736324	/nfs/dbraw/zinc/73/63/24/794736324.db2.gz	NOYSBDANOBBMLI-NVXWUHKLSA-N	1	0	352.442	1.373	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3n[nH]nc3c2)C[C@H]1C	ZINC001105000524	794816770	/nfs/dbraw/zinc/81/67/70/794816770.db2.gz	OIGXIWSMZWWGRT-GDBMZVCRSA-N	1	0	355.442	1.296	20	30		FDEDRO
C[C@@H]1CN(C(=O)Nc2ncccc2OCCCC#N)[C@@H](C)CN1CCO	ZINC000416987662	794867680	/nfs/dbraw/zinc/86/76/80/794867680.db2.gz	BRGCSUIYSAPZSM-CABCVRRESA-N	1	0	361.446	1.683	20	30		FDEDRO
CC[C@H](C)[C@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C1	ZINC001105044514	795038480	/nfs/dbraw/zinc/03/84/80/795038480.db2.gz	OWICBHHKUOJASW-ISARSNTHSA-N	1	0	365.518	1.261	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1CC[NH2+][C@H]1CCNC1=O	ZINC001105045614	795048419	/nfs/dbraw/zinc/04/84/19/795048419.db2.gz	YPXPZNDJLSVYEB-QRQLOZEOSA-N	1	0	353.466	1.391	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2ccncc2F)C[C@H]1C(F)(F)F	ZINC001112075547	795076764	/nfs/dbraw/zinc/07/67/64/795076764.db2.gz	HOMNHZVHJZTEJV-TZMCWYRMSA-N	1	0	359.323	1.463	20	30		FDEDRO
CCc1nc(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C2)cs1	ZINC001105060905	795103986	/nfs/dbraw/zinc/10/39/86/795103986.db2.gz	WUFFMAIFAUNYMR-HZPDHXFCSA-N	1	0	363.527	1.972	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCF)C1	ZINC001105064507	795111994	/nfs/dbraw/zinc/11/19/94/795111994.db2.gz	SHVOTCCJXSXWSV-HUUCEWRRSA-N	1	0	356.486	1.684	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)oc3c2)C[C@H]1C	ZINC001105067686	795147821	/nfs/dbraw/zinc/14/78/21/795147821.db2.gz	PUVSHERVCRJXQA-GDBMZVCRSA-N	1	0	371.437	1.871	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCC(C)(C)C2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001105079086	795175758	/nfs/dbraw/zinc/17/57/58/795175758.db2.gz	KFKPJLMCBXSVHW-IXDOHACOSA-N	1	0	362.518	1.917	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(C)(C)CC)C1	ZINC001105085225	795202053	/nfs/dbraw/zinc/20/20/53/795202053.db2.gz	GGNNILGZDOHJNN-IAGOWNOFSA-N	1	0	367.534	1.958	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(OC)nn2)C1	ZINC001105090431	795234905	/nfs/dbraw/zinc/23/49/05/795234905.db2.gz	VINPIIBPXLRNFE-BZUAXINKSA-N	1	0	362.474	1.651	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(CC)CCC2)C[C@H]1c1ccccc1	ZINC001211653531	795307608	/nfs/dbraw/zinc/30/76/08/795307608.db2.gz	QMHPEEOBLTUFQK-RBUKOAKNSA-N	1	0	367.493	1.900	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnn(C)c2C2CC2)C[C@H]1C	ZINC001105108884	795315220	/nfs/dbraw/zinc/31/52/20/795315220.db2.gz	VAJCCKYOADEWIN-NVXWUHKLSA-N	1	0	358.486	1.635	20	30		FDEDRO
COCC[NH2+]CCNC(=O)NC1CCC(Oc2ccccc2C#N)CC1	ZINC000417602939	795325239	/nfs/dbraw/zinc/32/52/39/795325239.db2.gz	PWBIUXAICHGINW-UHFFFAOYSA-N	1	0	360.458	1.783	20	30		FDEDRO
C[C@]1(C[NH3+])CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000418015029	795462974	/nfs/dbraw/zinc/46/29/74/795462974.db2.gz	VLQGSMZYZOKMHV-QFBILLFUSA-N	1	0	355.442	1.434	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC([NH2+]CCn2nc(C)nc2C)CC1	ZINC001026564271	795559071	/nfs/dbraw/zinc/55/90/71/795559071.db2.gz	YYYRIVWUWSWLDN-HIEASXQVSA-N	1	0	361.490	1.503	20	30		FDEDRO
C=CCOc1ccc(CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1	ZINC000418169166	795593956	/nfs/dbraw/zinc/59/39/56/795593956.db2.gz	PKZLZKVRJAIVIG-MRXNPFEDSA-N	1	0	360.458	1.248	20	30		FDEDRO
C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@]3(C)c3ccccc3)C2)nn1	ZINC001105288747	795821197	/nfs/dbraw/zinc/82/11/97/795821197.db2.gz	SYNRSHSLIVGSBO-PZJWPPBQSA-N	1	0	363.465	1.752	20	30		FDEDRO
CCC[NH2+]CCNC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000418472519	795965094	/nfs/dbraw/zinc/96/50/94/795965094.db2.gz	MAGOHJRTFHVPJF-UHFFFAOYSA-N	1	0	366.469	1.938	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCC(=O)NCC[NH+]1CCCCC1	ZINC000909327515	795967083	/nfs/dbraw/zinc/96/70/83/795967083.db2.gz	OCLSZUMLVHRZJU-OAHLLOKOSA-N	1	0	358.442	1.044	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4CCCC[N@H+]4C)[C@@H]3C2)cn1	ZINC000974462997	796000094	/nfs/dbraw/zinc/00/00/94/796000094.db2.gz	GJKYKVLLBSLAGP-NZSAHSFTSA-N	1	0	366.465	1.220	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CCCCCC)nn2)C1	ZINC001105330167	796147257	/nfs/dbraw/zinc/14/72/57/796147257.db2.gz	SBXLTVHXDVLBPI-MSOLQXFVSA-N	1	0	361.490	1.922	20	30		FDEDRO
C=C(C)CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3cccnc3)C2)nn1	ZINC001105331511	796196227	/nfs/dbraw/zinc/19/62/27/796196227.db2.gz	CSDNGFQJXSIOMG-RBUKOAKNSA-N	1	0	366.469	1.916	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2nnc(C)o2)C1	ZINC001087427493	806538842	/nfs/dbraw/zinc/53/88/42/806538842.db2.gz	GPQIDTNKWYMLBO-QZTJIDSGSA-N	1	0	352.438	1.918	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1Cc3ccncc3C1)C2	ZINC001112530409	806571721	/nfs/dbraw/zinc/57/17/21/806571721.db2.gz	SPUUGNNWPCSKHQ-CBQOVEMMSA-N	1	0	367.493	1.665	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CCC(F)CC1)C2	ZINC001112523111	799811510	/nfs/dbraw/zinc/81/15/10/799811510.db2.gz	CUTMJFKMESVIAV-WIUGKXBGSA-N	1	0	364.465	1.373	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)C[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)cc1	ZINC000974576236	799828248	/nfs/dbraw/zinc/82/82/48/799828248.db2.gz	JYYMBCCEMNGDRO-DFQSSKMNSA-N	1	0	365.477	1.683	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1	ZINC000974585084	799873976	/nfs/dbraw/zinc/87/39/76/799873976.db2.gz	SVOSZSMAFOCDBL-HUUCEWRRSA-N	1	0	365.905	1.920	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C(N)=O)cc2)C1	ZINC001026850748	799994676	/nfs/dbraw/zinc/99/46/76/799994676.db2.gz	CKMPASVNYRNXBS-UHOSZYNNSA-N	1	0	371.481	1.705	20	30		FDEDRO
CC(C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21)[NH+](C)C	ZINC000974685723	800068137	/nfs/dbraw/zinc/06/81/37/800068137.db2.gz	WKTHACOUAVQAPT-DJIMGWMZSA-N	1	0	357.458	1.145	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CC1(C)C	ZINC000974689612	800091320	/nfs/dbraw/zinc/09/13/20/800091320.db2.gz	FOCYQLKZNGVKAK-WBAXXEDZSA-N	1	0	357.454	1.689	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCCC[N@@H+]1CCO[C@H](C)C1	ZINC000893394299	800155935	/nfs/dbraw/zinc/15/59/35/800155935.db2.gz	UADSPQPEFLWRHZ-CYBMUJFWSA-N	1	0	361.442	1.862	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3ccccc3CC[NH+](C)C)C[C@H]21	ZINC000974975893	800628507	/nfs/dbraw/zinc/62/85/07/800628507.db2.gz	RDQVBNSESYSBKW-SZVBFZGTSA-N	1	0	368.481	1.623	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)CC1	ZINC000975022494	800707349	/nfs/dbraw/zinc/70/73/49/800707349.db2.gz	ROOKJFXVINXTJT-QZTJIDSGSA-N	1	0	357.498	1.888	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4CCCC[N@H+]4C)C[C@H]32)c1	ZINC000975064788	800813158	/nfs/dbraw/zinc/81/31/58/800813158.db2.gz	HDUORBXMOGTPIP-NZSAHSFTSA-N	1	0	366.465	1.220	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc3c(c2)nnn3C)C1	ZINC001027075468	800889501	/nfs/dbraw/zinc/88/95/01/800889501.db2.gz	STJKABVSEYDOBM-MDZRGWNJSA-N	1	0	369.469	1.498	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC(=O)N(CC)C2)C1	ZINC001087429186	806874815	/nfs/dbraw/zinc/87/48/15/806874815.db2.gz	XGLKUOFMQBTDHJ-XUVXKRRUSA-N	1	0	367.493	1.852	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)C[N@H+]4CCC[C@H]4C)[C@@H]3C2)cc1	ZINC000975206276	800996540	/nfs/dbraw/zinc/99/65/40/800996540.db2.gz	JIVUKAQRAZJMBD-NSISKUIASA-N	1	0	365.477	1.825	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)CC)C[C@H]1c1ccccc1	ZINC001211662030	801087496	/nfs/dbraw/zinc/08/74/96/801087496.db2.gz	OXLNHNSOTPEGNH-ZWKOTPCHSA-N	1	0	355.482	1.756	20	30		FDEDRO
NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC#Cc2ccc(F)cc2)C1	ZINC001211662116	801138932	/nfs/dbraw/zinc/13/89/32/801138932.db2.gz	SHPMLYYDIIDNCU-RBUKOAKNSA-N	1	0	365.408	1.247	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCc3ccc(S(=O)(=O)NCC)cc32)CCC[NH2+]1	ZINC000662628429	806898449	/nfs/dbraw/zinc/89/84/49/806898449.db2.gz	ZPECPEIZGSVTDJ-GOSISDBHSA-N	1	0	363.483	1.572	20	30		FDEDRO
C=CC[C@]1(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)CCC[NH2+]1	ZINC000662646809	806923026	/nfs/dbraw/zinc/92/30/26/806923026.db2.gz	NKBIFNGCLRKSQS-BMQTXXJKSA-N	1	0	353.466	1.958	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)[C@H](C)CC)C[C@@H]32)CC1	ZINC000975591884	801627806	/nfs/dbraw/zinc/62/78/06/801627806.db2.gz	BBLVSARVQJGVLE-AOIWGVFYSA-N	1	0	359.514	1.827	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)[C@@H]4CC4(C)C)C[C@@H]32)CC1	ZINC000975665991	801886846	/nfs/dbraw/zinc/88/68/46/801886846.db2.gz	RRXLSKNZJHDCRT-WDSOQIARSA-N	1	0	371.525	1.827	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1	ZINC000159319248	806965518	/nfs/dbraw/zinc/96/55/18/806965518.db2.gz	CGCGONPGVYQQSL-HXUWFJFHSA-N	1	0	364.445	1.848	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CCN(C(=O)C#CC3CC3)[C@H]2C1	ZINC000975753532	802205339	/nfs/dbraw/zinc/20/53/39/802205339.db2.gz	KXDCRLVCYXTEJI-OTWHNJEPSA-N	1	0	357.498	1.724	20	30		FDEDRO
C[NH+](C)[C@H](C(=O)N1CC[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@H]2C1)C1CC1	ZINC000975757665	802278768	/nfs/dbraw/zinc/27/87/68/802278768.db2.gz	GGEQMQJRUSQCJN-WBAXXEDZSA-N	1	0	369.469	1.290	20	30		FDEDRO
C[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@H]3C2)CC1	ZINC000975784435	802369043	/nfs/dbraw/zinc/36/90/43/802369043.db2.gz	AUVVXYMAOJIELZ-KSSFIOAISA-N	1	0	369.469	1.291	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)[C@H](F)CC)C[C@@H]32)CC1	ZINC000975881538	802658782	/nfs/dbraw/zinc/65/87/82/802658782.db2.gz	VWJHWKKMAFAGIF-JQHSSLGASA-N	1	0	363.477	1.529	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1	ZINC000661100087	802687787	/nfs/dbraw/zinc/68/77/87/802687787.db2.gz	ZIZPCHAVFUYBAH-GOSISDBHSA-N	1	0	359.470	1.380	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1c1ccccc1	ZINC001211664135	802737538	/nfs/dbraw/zinc/73/75/38/802737538.db2.gz	QELIAHYQKZEDCF-DLBZAZTESA-N	1	0	357.454	1.039	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](Cn3ccnn3)C2)c(OC)c1	ZINC000661149618	802844537	/nfs/dbraw/zinc/84/45/37/802844537.db2.gz	XKTFBFWOSDRCMR-ROUUACIJSA-N	1	0	372.469	1.777	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1	ZINC000893428977	802899181	/nfs/dbraw/zinc/89/91/81/802899181.db2.gz	VMIDXEVZRINSEA-SFHVURJKSA-N	1	0	351.491	1.548	20	30		FDEDRO
C=CC[C@]1(C(=O)N(C)CCN2CCN(c3ccccc3)CC2)CCC[NH2+]1	ZINC000662760588	803085225	/nfs/dbraw/zinc/08/52/25/803085225.db2.gz	XQBZGLBBUWLCIQ-OAQYLSRUSA-N	1	0	356.514	1.965	20	30		FDEDRO
C=CC[C@]1(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)CCC[NH2+]1	ZINC000662800399	803329902	/nfs/dbraw/zinc/32/99/02/803329902.db2.gz	QGCNPQSEOHYDKH-HXUWFJFHSA-N	1	0	356.470	1.992	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@](CO)(OC)C2)c(OC)c1	ZINC000661398952	803477039	/nfs/dbraw/zinc/47/70/39/803477039.db2.gz	XDPMCXUCPSKFPG-PXNSSMCTSA-N	1	0	365.470	1.637	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C23CCC[NH+]2CCC3)c[nH]1	ZINC000976555074	803516781	/nfs/dbraw/zinc/51/67/81/803516781.db2.gz	DSQKLVFRDZBHKN-IAGOWNOFSA-N	1	0	369.469	1.672	20	30		FDEDRO
CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1	ZINC000423059516	814948565	/nfs/dbraw/zinc/94/85/65/814948565.db2.gz	MGBUUHGWNDQCMN-BHUNQDJPSA-N	1	0	358.442	1.526	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1CCC	ZINC000976667798	803712012	/nfs/dbraw/zinc/71/20/12/803712012.db2.gz	RMRVEIHLKFLYCO-ZXXIGWHRSA-N	1	0	361.486	1.025	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CC23CC3)CC1	ZINC000976815851	803934233	/nfs/dbraw/zinc/93/42/33/803934233.db2.gz	QEPKIYAXFPVLLH-RCCFBDPRSA-N	1	0	357.498	1.675	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCC1	ZINC000976950293	804151145	/nfs/dbraw/zinc/15/11/45/804151145.db2.gz	VRNBXDOHWHCLKD-NRKLIOEPSA-N	1	0	361.486	1.025	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]C[C@H](O)COC)C2)C1	ZINC001211670824	804528175	/nfs/dbraw/zinc/52/81/75/804528175.db2.gz	KUESYDPEASZYEQ-GBESFXJTSA-N	1	0	358.482	1.934	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](COC)OC)C[C@H]1c1ccccc1	ZINC001211670859	804544748	/nfs/dbraw/zinc/54/47/48/804544748.db2.gz	MMPRHKZPNWIPLO-GVDBMIGSSA-N	1	0	352.862	1.985	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]21	ZINC000977215189	804594469	/nfs/dbraw/zinc/59/44/69/804594469.db2.gz	FIOZDBQALYRBBB-ZBRFXRBCSA-N	1	0	366.421	1.112	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C[C@H]21	ZINC000977216452	804599096	/nfs/dbraw/zinc/59/90/96/804599096.db2.gz	BGXYFUMPYNUSKW-ZMSHIADSSA-N	1	0	361.486	1.025	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)C1	ZINC000662960614	804734803	/nfs/dbraw/zinc/73/48/03/804734803.db2.gz	PADNTTRHAZMEOZ-NJAFHUGGSA-N	1	0	363.502	1.546	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)CC1(C)C	ZINC000977321060	804752596	/nfs/dbraw/zinc/75/25/96/804752596.db2.gz	XPNGBQAAIBDRIC-KSZLIROESA-N	1	0	360.502	1.770	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]2CN(C)C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC000977531554	804840131	/nfs/dbraw/zinc/84/01/31/804840131.db2.gz	RRIHTVYLYKOXDA-HLLBOEOZSA-N	1	0	357.458	1.290	20	30		FDEDRO
C=CCOCCCNC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1	ZINC000661795010	804861580	/nfs/dbraw/zinc/86/15/80/804861580.db2.gz	USLCXWKOPHVDEL-UHFFFAOYSA-N	1	0	352.523	1.829	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC=C)C2)c1	ZINC001112527012	805082668	/nfs/dbraw/zinc/08/26/68/805082668.db2.gz	INSWXSPXBHYIHD-RXVVDRJESA-N	1	0	366.465	1.197	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(C(N)=O)cc2)C1	ZINC001027584733	805157959	/nfs/dbraw/zinc/15/79/59/805157959.db2.gz	RGPRVDCFBJMDLV-OTWHNJEPSA-N	1	0	371.481	1.799	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)cc1	ZINC000978150256	805237332	/nfs/dbraw/zinc/23/73/32/805237332.db2.gz	WKJBZAWPGWIZOA-KZNAEPCWSA-N	1	0	362.433	1.868	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cnc(C)cn3)C[C@H]21	ZINC000978170484	805268759	/nfs/dbraw/zinc/26/87/59/805268759.db2.gz	WMFPLWXZDRVELQ-QQXKLLMISA-N	1	0	356.470	1.560	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1c1ccccc1	ZINC001211676077	805282964	/nfs/dbraw/zinc/28/29/64/805282964.db2.gz	BWNPOIYAPYYQHJ-RBUKOAKNSA-N	1	0	369.469	1.524	20	30		FDEDRO
CC(C)Oc1ccc([C@H](CNC(=O)NCC(=O)NCC#N)[NH+](C)C)cc1	ZINC000511909932	805306061	/nfs/dbraw/zinc/30/60/61/805306061.db2.gz	LCPJSJYVPILFQS-INIZCTEOSA-N	1	0	361.446	1.015	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CNC(=O)c2cccnc2)C[C@H]1c1ccccc1	ZINC001211678418	805350825	/nfs/dbraw/zinc/35/08/25/805350825.db2.gz	VJRBPNATDPITTR-RBUKOAKNSA-N	1	0	362.433	1.029	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN2C[C@@H]3CCN(C(=O)[C@H](C)SC)[C@@H]3C2)c1	ZINC001075574191	805379888	/nfs/dbraw/zinc/37/98/88/805379888.db2.gz	ZCSNVFGRQMKFLS-QILLFSRXSA-N	1	0	371.506	1.891	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1	ZINC001087432067	807211731	/nfs/dbraw/zinc/21/17/31/807211731.db2.gz	XDVAWSFYJPELRI-IAGOWNOFSA-N	1	0	368.437	1.109	20	30		FDEDRO
C[NH+](C)[C@H]1CN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@@H]1O	ZINC000663549616	807501637	/nfs/dbraw/zinc/50/16/37/807501637.db2.gz	FFCOIYQVUBPFOS-GJZGRUSLSA-N	1	0	355.360	1.373	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1	ZINC000981111387	807568565	/nfs/dbraw/zinc/56/85/65/807568565.db2.gz	LVQFAGGPECNEMP-LESCRADOSA-N	1	0	371.485	1.775	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N[C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)CC1	ZINC000981194188	807698669	/nfs/dbraw/zinc/69/86/69/807698669.db2.gz	BBZSYAGDXLCUOA-DOTOQJQBSA-N	1	0	371.485	1.633	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)c[nH]1	ZINC000981194418	807699965	/nfs/dbraw/zinc/69/99/65/807699965.db2.gz	FBZRVTPYYPZVGW-XCRHUMRWSA-N	1	0	369.469	1.243	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1	ZINC000423571973	815141360	/nfs/dbraw/zinc/14/13/60/815141360.db2.gz	WMUXBARCMNIMOW-UHFFFAOYSA-N	1	0	356.426	1.638	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)C2CC2)cc1	ZINC000423573008	815142018	/nfs/dbraw/zinc/14/20/18/815142018.db2.gz	QPKNEXJBIHAOCV-IAGOWNOFSA-N	1	0	352.438	1.117	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)COC)C[C@H]1c1ccccc1	ZINC001211700698	808426952	/nfs/dbraw/zinc/42/69/52/808426952.db2.gz	QEQPQXBNBNVOJS-YSIASYRMSA-N	1	0	358.482	1.893	20	30		FDEDRO
CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1	ZINC000423726676	815216525	/nfs/dbraw/zinc/21/65/25/815216525.db2.gz	UGVZGVGVFURSOE-ZWKOTPCHSA-N	1	0	370.453	1.059	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)nc1	ZINC000981843820	808608128	/nfs/dbraw/zinc/60/81/28/808608128.db2.gz	VICGKUBMPGBPLU-LZLYRXPVSA-N	1	0	354.454	1.172	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC000981847459	808624356	/nfs/dbraw/zinc/62/43/56/808624356.db2.gz	AWJIUJKODXPZKJ-WTLGNFPFSA-N	1	0	368.481	1.418	20	30		FDEDRO
CC#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1	ZINC001087435644	808791266	/nfs/dbraw/zinc/79/12/66/808791266.db2.gz	YUKBINUJTRWVJA-GUDVDZBRSA-N	1	0	353.466	1.605	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CCCC3(CN(C(=O)[C@H]4OCC[C@H]4C)C3)C2)C1=O	ZINC000982019619	809040323	/nfs/dbraw/zinc/04/03/23/809040323.db2.gz	DAFFZLJBTPWMEC-ZACQAIPSSA-N	1	0	361.486	1.123	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1c1ccccc1	ZINC001211715632	809142933	/nfs/dbraw/zinc/14/29/33/809142933.db2.gz	GMSFMOAFDDSCEN-DLBZAZTESA-N	1	0	365.499	1.038	20	30		FDEDRO
C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3OCCO[C@@H]3c3ccccc3)C[C@@]2(C)C1	ZINC000982300136	809145374	/nfs/dbraw/zinc/14/53/74/809145374.db2.gz	SYORJJXIAOIDLL-CZAYHTPWSA-N	1	0	368.477	1.947	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC(=O)N2C)C[C@H]1c1ccccc1	ZINC001211715786	809150168	/nfs/dbraw/zinc/15/01/68/809150168.db2.gz	OJFXWYWJXLPRAJ-OTWHNJEPSA-N	1	0	353.466	1.605	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)Cc2sc(C)nc2C)[C@H](OC)C1	ZINC001213195020	809161131	/nfs/dbraw/zinc/16/11/31/809161131.db2.gz	BYHROGRNLLPLDY-HUUCEWRRSA-N	1	0	353.488	1.320	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCCCC[C@H]2C[C@H](C)O)CC1	ZINC000512416476	809286771	/nfs/dbraw/zinc/28/67/71/809286771.db2.gz	UMCFNFXIUNGGEI-GBESFXJTSA-N	1	0	364.534	1.694	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1	ZINC000418930365	809321971	/nfs/dbraw/zinc/32/19/71/809321971.db2.gz	BUIMNGZTRQKNCG-SFHVURJKSA-N	1	0	371.481	1.858	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1	ZINC001114946999	809380250	/nfs/dbraw/zinc/38/02/50/809380250.db2.gz	CKMVKRHFIPHLFS-PXTPFGJHSA-N	1	0	354.450	1.495	20	30		FDEDRO
CCOc1ccc(C(=O)N2CCC(NC(=O)[C@H]([NH3+])CCCC#N)CC2)cc1	ZINC000424067094	815302488	/nfs/dbraw/zinc/30/24/88/815302488.db2.gz	VHZFPNNPMXKZJN-GOSISDBHSA-N	1	0	372.469	1.827	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000410685134	809628409	/nfs/dbraw/zinc/62/84/09/809628409.db2.gz	BNGJLJJCPSAEAF-NRFANRHFSA-N	1	0	373.497	1.506	20	30		FDEDRO
CN(C[C@@H](O)COc1ccccc1C(F)(F)F)C(=O)[C@@H]([NH3+])CCCC#N	ZINC000424101059	815307684	/nfs/dbraw/zinc/30/76/84/815307684.db2.gz	MDSOWWPHEAFFNZ-OCCSQVGLSA-N	1	0	373.375	1.925	20	30		FDEDRO
C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCO[C@@](C)(C#N)C2)CC1	ZINC000893782087	809732945	/nfs/dbraw/zinc/73/29/45/809732945.db2.gz	BPMFDBYHJZRBQB-BEFAXECRSA-N	1	0	357.458	1.931	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(CNC(=O)[C@@H]([NH3+])CCCC#N)cc2)C[C@@H](C)O1	ZINC000424109628	815312537	/nfs/dbraw/zinc/31/25/37/815312537.db2.gz	WBXZWZFAPFHOGU-RKVPGOIHSA-N	1	0	372.469	1.573	20	30		FDEDRO
C#CC[N@@H+](C)CCCNc1nc(C(=O)OCC)ncc1Br	ZINC000893989524	809851718	/nfs/dbraw/zinc/85/17/18/809851718.db2.gz	YFEUFFJBTPNNKI-UHFFFAOYSA-N	1	0	355.236	1.205	20	30		FDEDRO
C[NH2+]CCNC(=O)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000419209753	809880529	/nfs/dbraw/zinc/88/05/29/809880529.db2.gz	PXUDODRURXVWIZ-CQSZACIVSA-N	1	0	350.422	1.738	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)cn2)C[C@H]1c1ccccc1	ZINC001211733893	809902962	/nfs/dbraw/zinc/90/29/62/809902962.db2.gz	GHKWCMRHQRILLZ-PKOBYXMFSA-N	1	0	364.449	1.954	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCCO2)C[C@H]1c1ccccc1	ZINC001211736186	809925697	/nfs/dbraw/zinc/92/56/97/809925697.db2.gz	LPPATFYQDLRBTG-OTWHNJEPSA-N	1	0	371.481	1.442	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CCCC)NC(N)=O)C[C@H]1c1ccccc1	ZINC001211736232	809925772	/nfs/dbraw/zinc/92/57/72/809925772.db2.gz	NKQVMIPGRNTOKQ-IPMKNSEASA-N	1	0	370.497	1.821	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC#CCOC)C1	ZINC001211736274	809926414	/nfs/dbraw/zinc/92/64/14/809926414.db2.gz	PBGQGICEDZDHOZ-YSIASYRMSA-N	1	0	356.466	1.812	20	30		FDEDRO
CN(C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCC[N@H+](C)C1	ZINC000894098287	809934335	/nfs/dbraw/zinc/93/43/35/809934335.db2.gz	GFGZTFWGFRAJEC-ZWKOTPCHSA-N	1	0	369.469	1.789	20	30		FDEDRO
C[N@H+]1C[C@H]2CN(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C[C@H]2C1	ZINC000894098334	809934484	/nfs/dbraw/zinc/93/44/84/809934484.db2.gz	GWUICYAASVFFNE-JZXOWHBKSA-N	1	0	367.453	1.257	20	30		FDEDRO
C=CCN(C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)[C@H](C)COC	ZINC000663916860	810026673	/nfs/dbraw/zinc/02/66/73/810026673.db2.gz	QZOCDZAFAIXKEW-CVEARBPZSA-N	1	0	354.495	1.162	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1	ZINC000645119886	810095280	/nfs/dbraw/zinc/09/52/80/810095280.db2.gz	VNNFHIXLKSTUBT-WMZOPIPTSA-N	1	0	359.470	1.906	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C)S(C)(=O)=O)C[C@H]1C(F)(F)F	ZINC001112122669	810167829	/nfs/dbraw/zinc/16/78/29/810167829.db2.gz	ZYXOFJWGSGUGNH-QJPTWQEYSA-N	1	0	356.410	1.365	20	30		FDEDRO
C=CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCNC2=O)C1	ZINC001087457348	810185205	/nfs/dbraw/zinc/18/52/05/810185205.db2.gz	VXCHLBOCTKJXBP-KZNAEPCWSA-N	1	0	359.445	1.812	20	30		FDEDRO
C[C@@H]1COCC[C@@H]1[NH2+]CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000433153054	810228497	/nfs/dbraw/zinc/22/84/97/810228497.db2.gz	UXFQBPISNITFBU-AYOQOUSVSA-N	1	0	374.460	1.549	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+](C)C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1=O	ZINC000419296105	810349833	/nfs/dbraw/zinc/34/98/33/810349833.db2.gz	RKFVPLVHSIUWQF-CRAIPNDOSA-N	1	0	373.453	1.030	20	30		FDEDRO
C[C@@H]1CN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](C)C[N@@H+]1CCO	ZINC000419345272	810579225	/nfs/dbraw/zinc/57/92/25/810579225.db2.gz	SYPIFFPCLGVJEG-GJYPPUQNSA-N	1	0	356.470	1.441	20	30		FDEDRO
CC[NH+]=C(NCc1ccccc1C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1	ZINC000261768487	810789168	/nfs/dbraw/zinc/78/91/68/810789168.db2.gz	NTJYJMXEWUWZIN-FQEVSTJZSA-N	1	0	371.485	1.771	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1	ZINC000982756685	810821130	/nfs/dbraw/zinc/82/11/30/810821130.db2.gz	JAFGDMFTDXWZEV-KSZLIROESA-N	1	0	363.502	1.274	20	30		FDEDRO
CC1CCN(C(=O)CN2C[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)CC1	ZINC001075656972	810892717	/nfs/dbraw/zinc/89/27/17/810892717.db2.gz	JTWBHMDBBUBRFZ-FUHWJXTLSA-N	1	0	369.469	1.291	20	30		FDEDRO
C[C@@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1	ZINC001075658624	810908576	/nfs/dbraw/zinc/90/85/76/810908576.db2.gz	LDNKRGKVOYBAIT-QILLFSRXSA-N	1	0	369.469	1.434	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cc(=O)n(C)o2)C1	ZINC001087464723	811206662	/nfs/dbraw/zinc/20/66/62/811206662.db2.gz	ZRBHJNVTJFTIQN-IAGOWNOFSA-N	1	0	371.412	1.729	20	30		FDEDRO
C[NH+]=C(NCc1cc(F)ccc1N1CCOCC1)N(C)Cc1ccon1	ZINC000261841851	811330840	/nfs/dbraw/zinc/33/08/40/811330840.db2.gz	WRIXIGOFCKYTFW-UHFFFAOYSA-N	1	0	361.421	1.858	20	30		FDEDRO
C[NH+]=C(N[C@H]1C[C@H]1Cc1ccccc1)N1CCN(C(C)(C)C(N)=O)CC1	ZINC000261861466	811333532	/nfs/dbraw/zinc/33/35/32/811333532.db2.gz	YLSISQBCMPJKMN-SJORKVTESA-N	1	0	357.502	1.075	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)[C@H](OCC)C2)C1	ZINC000983287060	815440748	/nfs/dbraw/zinc/44/07/48/815440748.db2.gz	RYYRVCXYOVEELP-IXDOHACOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C[NH+]=C(NCCN1C(=O)CNC1=O)N[C@H]1CC(C)(C)Oc2ccccc21	ZINC000261958588	811353508	/nfs/dbraw/zinc/35/35/08/811353508.db2.gz	JMXPTQYGTLRDFF-ZDUSSCGKSA-N	1	0	359.430	1.006	20	30		FDEDRO
C[NH+]=C(NCc1nnc(C)n1C)N[C@H](C)c1cccc(-n2cccn2)c1	ZINC000261960973	811354094	/nfs/dbraw/zinc/35/40/94/811354094.db2.gz	KDCSUQHRUBDSKN-CYBMUJFWSA-N	1	0	352.446	1.735	20	30		FDEDRO
CCC(=O)N1CC[C@H](NC(NCC(=O)N2CCCc3ccccc32)=[NH+]C)C1	ZINC000262025053	811369496	/nfs/dbraw/zinc/36/94/96/811369496.db2.gz	ZMLTVECRVQKQKW-INIZCTEOSA-N	1	0	371.485	1.142	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)c1	ZINC000982825815	811387641	/nfs/dbraw/zinc/38/76/41/811387641.db2.gz	FHJNIVBWECSMDD-NZSAHSFTSA-N	1	0	368.481	1.372	20	30		FDEDRO
C[C@@H]1CCCC[C@H]1[NH+]=C(NCC(=O)N(C)C)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000262248175	811423026	/nfs/dbraw/zinc/42/30/26/811423026.db2.gz	BHODRRKSKUWOAK-JFIYKMOQSA-N	1	0	374.533	1.822	20	30		FDEDRO
CC[C@H](C)[NH+]=C(NCC(=O)N(C)C)N1CCN(c2ncccc2F)CC1	ZINC000262268855	811427962	/nfs/dbraw/zinc/42/79/62/811427962.db2.gz	GKVOYXHVGVBTSJ-AWEZNQCLSA-N	1	0	364.469	1.175	20	30		FDEDRO
C[NH+]=C(NCc1cn2ccccc2n1)NCC1(C(=O)N(C)C)CCCC1	ZINC000262444951	811469377	/nfs/dbraw/zinc/46/93/77/811469377.db2.gz	DBPLJSZHCUQLQQ-UHFFFAOYSA-N	1	0	356.474	1.648	20	30		FDEDRO
Cc1cccc2nc(CNC(=[NH2+])N3CCN(c4ncccn4)CC3)cn21	ZINC000262480821	811475943	/nfs/dbraw/zinc/47/59/43/811475943.db2.gz	HYYPDNGSVLNYEG-UHFFFAOYSA-N	1	0	350.430	1.070	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[C@@H]2CCNC2=O)C1	ZINC001087465323	811489754	/nfs/dbraw/zinc/48/97/54/811489754.db2.gz	ITIICUDKJGZWTQ-CGTJXYLNSA-N	1	0	359.445	1.812	20	30		FDEDRO
N#Cc1ccc(C[C@@H](C#N)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1	ZINC000280158104	811730575	/nfs/dbraw/zinc/73/05/75/811730575.db2.gz	BTYVHLZBVQMCSB-MOPGFXCFSA-N	1	0	352.438	1.421	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(OC)c1	ZINC000419670006	812081695	/nfs/dbraw/zinc/08/16/95/812081695.db2.gz	BYVWXUCMDCMSQU-UHFFFAOYSA-N	1	0	363.458	1.999	20	30		FDEDRO
C=C[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1	ZINC000419872819	812267787	/nfs/dbraw/zinc/26/77/87/812267787.db2.gz	CWLWHGUPLRIONI-BHIYHBOVSA-N	1	0	371.481	1.824	20	30		FDEDRO
CCC[NH2+]CCNC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000419913468	812283687	/nfs/dbraw/zinc/28/36/87/812283687.db2.gz	ZHDWSPFLFSGTMN-UHFFFAOYSA-N	1	0	358.442	1.044	20	30		FDEDRO
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)NCC1=CC[NH2+]CC1	ZINC000420134514	813472367	/nfs/dbraw/zinc/47/23/67/813472367.db2.gz	FJDRIKLUTNNVAV-ROUUACIJSA-N	1	0	352.438	1.321	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)N[C@H]3CC[C@H](C[NH3+])C3)CC2)cc1	ZINC000420191206	813542668	/nfs/dbraw/zinc/54/26/68/813542668.db2.gz	HKLNLFUNWDNSJF-YJBOKZPZSA-N	1	0	352.438	1.418	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1	ZINC000501597970	813545272	/nfs/dbraw/zinc/54/52/72/813545272.db2.gz	MIBSVAZSTRCJSQ-BZSNNMDCSA-N	1	0	363.502	1.465	20	30		FDEDRO
COC(=O)c1cnc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cn1	ZINC000502074869	813810578	/nfs/dbraw/zinc/81/05/78/813810578.db2.gz	LOARVWPJZINGQW-UHFFFAOYSA-N	1	0	367.409	1.339	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1	ZINC000983008502	813916609	/nfs/dbraw/zinc/91/66/09/813916609.db2.gz	MFYCBRYGMZJGLF-ZACQAIPSSA-N	1	0	361.486	1.171	20	30		FDEDRO
CC(C)([NH2+]CC(=O)N(CCC#N)CCC#N)C(=O)NCC1CCCCC1	ZINC000502731237	814244232	/nfs/dbraw/zinc/24/42/32/814244232.db2.gz	REDRJTXIERJMAN-UHFFFAOYSA-N	1	0	361.490	1.707	20	30		FDEDRO
COC[C@@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000272049894	814556619	/nfs/dbraw/zinc/55/66/19/814556619.db2.gz	ZGXMBABQSPHOOM-APWZRJJASA-N	1	0	374.460	1.503	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N	ZINC000272611258	814768374	/nfs/dbraw/zinc/76/83/74/814768374.db2.gz	VMMGRTRTDIVGCY-CQSZACIVSA-N	1	0	362.430	1.000	20	30		FDEDRO
C[C@@H](CCNC(=O)C(=O)Nc1cccc(OCC#N)c1)[NH+]1CCCCC1	ZINC000273138109	814788571	/nfs/dbraw/zinc/78/85/71/814788571.db2.gz	RUSQSTTYBBIPOG-HNNXBMFYSA-N	1	0	358.442	1.908	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](Oc3ccccc3)C2)CC1	ZINC000422302049	814807039	/nfs/dbraw/zinc/80/70/39/814807039.db2.gz	XPUXIKNJXBBYRZ-IBGZPJMESA-N	1	0	371.481	1.823	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC001028701862	814812761	/nfs/dbraw/zinc/81/27/61/814812761.db2.gz	MHTNCKIOQMYEMP-GIRNWQOFSA-N	1	0	351.450	1.920	20	30		FDEDRO
C[C@H]1CC[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)O1	ZINC000422468896	814820777	/nfs/dbraw/zinc/82/07/77/814820777.db2.gz	TYHCIEVPEXOZEO-YJBOKZPZSA-N	1	0	372.469	1.132	20	30		FDEDRO
C=C(Cl)CN1CC[C@H](CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1	ZINC001028709303	814832843	/nfs/dbraw/zinc/83/28/43/814832843.db2.gz	JAZIUFGYTPXPBY-ZACQAIPSSA-N	1	0	371.909	1.057	20	30		FDEDRO
C#CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1	ZINC001087465753	815792976	/nfs/dbraw/zinc/79/29/76/815792976.db2.gz	HEJAXEXNLNEUCD-KBAYOESNSA-N	1	0	357.429	1.259	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(C(=O)NC)c2)C1	ZINC001028812975	815818803	/nfs/dbraw/zinc/81/88/03/815818803.db2.gz	QXXUBBJFUCXPNS-UHOSZYNNSA-N	1	0	371.481	1.575	20	30		FDEDRO
CN(C)CC[NH+]1CCC(CNC(=O)C2(c3cccc(C#N)c3)CC2)CC1	ZINC000435002431	815869247	/nfs/dbraw/zinc/86/92/47/815869247.db2.gz	DBUWKHHNKZLLPY-UHFFFAOYSA-N	1	0	354.498	1.980	20	30		FDEDRO
C[NH+]1CCC(CNc2c(C#N)cccc2[N+](=O)[O-])(N2CCOCC2)CC1	ZINC000425266186	815884425	/nfs/dbraw/zinc/88/44/25/815884425.db2.gz	HDIYTZFQQFTJTB-UHFFFAOYSA-N	1	0	359.430	1.675	20	30		FDEDRO
N#CCc1ccc(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1	ZINC000514598896	815898062	/nfs/dbraw/zinc/89/80/62/815898062.db2.gz	FTCWBIQRFHINTI-OALUTQOASA-N	1	0	356.470	1.930	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4coc(CC)n4)[C@@H]3C2)C1=O	ZINC001075714993	815932769	/nfs/dbraw/zinc/93/27/69/815932769.db2.gz	PCBKSBLPWUTLIX-CWRNSKLLSA-N	1	0	358.442	1.170	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1	ZINC000505673966	816018303	/nfs/dbraw/zinc/01/83/03/816018303.db2.gz	ZWPGIWXFNWQZHK-QGZVFWFLSA-N	1	0	372.513	1.886	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)Cc1ccccc1	ZINC000435639254	816117250	/nfs/dbraw/zinc/11/72/50/816117250.db2.gz	UAWKLEOPAXPADF-QGZVFWFLSA-N	1	0	368.412	1.925	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1C#N	ZINC000435833009	816197559	/nfs/dbraw/zinc/19/75/59/816197559.db2.gz	DBDKJHWKTPJYBI-OAHLLOKOSA-N	1	0	356.426	1.637	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c1	ZINC000515427322	816256414	/nfs/dbraw/zinc/25/64/14/816256414.db2.gz	ZCIVRTLTCGNMAT-QGZVFWFLSA-N	1	0	355.442	1.685	20	30		FDEDRO
CC[NH+]1CCN(CCCNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1	ZINC000505776903	816378543	/nfs/dbraw/zinc/37/85/43/816378543.db2.gz	LQEDIYCRQSGAGN-LJQANCHMSA-N	1	0	366.506	1.392	20	30		FDEDRO
COCC(C)(C)[NH+]1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000425511863	816409557	/nfs/dbraw/zinc/40/95/57/816409557.db2.gz	XFAHGBCSHBGPAT-SFHVURJKSA-N	1	0	356.470	1.706	20	30		FDEDRO
C=CCn1cc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)nn1	ZINC000425541686	816489346	/nfs/dbraw/zinc/48/93/46/816489346.db2.gz	PWLNUMNJNCVHRY-YJBOKZPZSA-N	1	0	354.458	1.926	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)CCCN1C(=O)c2ccccc2C1=O	ZINC000425544524	816508125	/nfs/dbraw/zinc/50/81/25/816508125.db2.gz	POIJHJUELPGEJQ-OAHLLOKOSA-N	1	0	370.453	1.613	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@]2(C)CNC(=O)C2)C1	ZINC001087466479	816603652	/nfs/dbraw/zinc/60/36/52/816603652.db2.gz	VCYFDYNDSMNHNS-MBOZVWFJSA-N	1	0	359.445	1.812	20	30		FDEDRO
C=C(Br)CN1C[C@@H]2CCN(C(=O)c3cc(=O)n(C)o3)[C@@H]2C1	ZINC001075735443	816955670	/nfs/dbraw/zinc/95/56/70/816955670.db2.gz	QRJNKNWYEFSHDW-WDEREUQCSA-N	1	0	356.220	1.033	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cn(C)nc2-c2ccoc2)c1C#N	ZINC000516709599	816970817	/nfs/dbraw/zinc/97/08/17/816970817.db2.gz	XHFUZSVQDOWMBO-UHFFFAOYSA-N	1	0	353.386	1.679	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)cc1	ZINC000516762769	816995801	/nfs/dbraw/zinc/99/58/01/816995801.db2.gz	NXRYDBRBKGKZJE-AEFFLSMTSA-N	1	0	373.434	1.552	20	30		FDEDRO
N#C[C@H]1CC[C@@H](NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)C1	ZINC000425835821	817209795	/nfs/dbraw/zinc/20/97/95/817209795.db2.gz	AWWBTSYSGIYOHP-WJFTUGDTSA-N	1	0	356.470	1.861	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1	ZINC000425868019	817250719	/nfs/dbraw/zinc/25/07/19/817250719.db2.gz	HUHWJNRIAPQNKD-KSZLIROESA-N	1	0	365.518	1.566	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCN(C)CC2)C1	ZINC000366682826	817440059	/nfs/dbraw/zinc/44/00/59/817440059.db2.gz	ZLNKPPWMSXEMHC-FHWLQOOXSA-N	1	0	364.534	1.637	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1cccc(C#N)n1	ZINC000518530752	817912467	/nfs/dbraw/zinc/91/24/67/817912467.db2.gz	CZXXTHDTXONIDM-UHFFFAOYSA-N	1	0	369.400	1.621	20	30		FDEDRO
N#Cc1ncn(CC[NH2+][C@H]2CCCN(C(=O)OCc3ccccc3)C2)n1	ZINC000894419454	818034855	/nfs/dbraw/zinc/03/48/55/818034855.db2.gz	FCNOYLXZNIRUNK-INIZCTEOSA-N	1	0	354.414	1.541	20	30		FDEDRO
C[C@H]1CC[N@H+](CCNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000894422892	818038358	/nfs/dbraw/zinc/03/83/58/818038358.db2.gz	OEUDMNFVRCDSOV-YJBOKZPZSA-N	1	0	369.469	1.300	20	30		FDEDRO
C[NH+]=C(NCc1nccn1CC(C)C)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000262033327	818100003	/nfs/dbraw/zinc/10/00/03/818100003.db2.gz	XJNPACPZFZQPBI-UHFFFAOYSA-N	1	0	362.522	1.946	20	30		FDEDRO
CNC(=O)c1cccc(CNC(=[NH+]C)N2CC(=O)N(C(C)C)C(C)(C)C2)c1	ZINC000262048687	818272995	/nfs/dbraw/zinc/27/29/95/818272995.db2.gz	ZIDOSFXIMMOMBV-UHFFFAOYSA-N	1	0	373.501	1.453	20	30		FDEDRO
COC(=O)[C@H]1[C@H](CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1(F)F	ZINC000894764436	818424834	/nfs/dbraw/zinc/42/48/34/818424834.db2.gz	UHZBWQYDQBWJDX-JKSUJKDBSA-N	1	0	351.397	1.976	20	30		FDEDRO
C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)Cn3cnc(C#N)n3)cc2)C1	ZINC000426868463	818576587	/nfs/dbraw/zinc/57/65/87/818576587.db2.gz	GZFGWHSMFVXKJO-CQSZACIVSA-N	1	0	354.414	1.509	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]CCNC(=O)NC(C)(C)C	ZINC001167986097	818789267	/nfs/dbraw/zinc/78/92/67/818789267.db2.gz	XCLXBWKERCJLIS-HOTGVXAUSA-N	1	0	368.522	1.551	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1	ZINC000729476214	818864550	/nfs/dbraw/zinc/86/45/50/818864550.db2.gz	CYLAQYLHQMYIJO-OAHLLOKOSA-N	1	0	352.479	1.937	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1	ZINC000983737568	818907904	/nfs/dbraw/zinc/90/79/04/818907904.db2.gz	XNVWJTJEVOBSBZ-CPUCHLNUSA-N	1	0	357.458	1.195	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]Cc2cc(OC)no2)CC1	ZINC001029145776	818933056	/nfs/dbraw/zinc/93/30/56/818933056.db2.gz	FMLUMOOUPWVCLR-XKQJLSEDSA-N	1	0	363.458	1.991	20	30		FDEDRO
CNC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)cc1	ZINC001075776245	819384770	/nfs/dbraw/zinc/38/47/70/819384770.db2.gz	CZNKWTQKXVEPAR-RBUKOAKNSA-N	1	0	351.450	1.492	20	30		FDEDRO
C[C@H](NC(=O)c1ccc2n[nH]c(=O)n2c1)C1([NH+]2CCOCC2)CCCC1	ZINC000328671923	819527839	/nfs/dbraw/zinc/52/78/39/819527839.db2.gz	HSTQDIPUDPBHCU-ZDUSSCGKSA-N	1	0	359.430	1.773	20	30		FDEDRO
O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCN(C2CC2)C(=O)C1	ZINC000328705672	819538207	/nfs/dbraw/zinc/53/82/07/819538207.db2.gz	LEHYGOBZGJRHBJ-KRWDZBQOSA-N	1	0	356.470	1.872	20	30		FDEDRO
C=CCN1CC[C@@H](N2CCC[C@H](n3ncc(N(C)C(C)C)cc3=O)C2)C1=O	ZINC000328765398	819545938	/nfs/dbraw/zinc/54/59/38/819545938.db2.gz	DYRBVJJDHBHPEH-FUHWJXTLSA-N	1	0	373.501	1.512	20	30		FDEDRO
CCn1nncc1C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1	ZINC000328886749	819577055	/nfs/dbraw/zinc/57/70/55/819577055.db2.gz	ZWTJCYYKNRSGFY-UHFFFAOYSA-N	1	0	356.430	1.712	20	30		FDEDRO
CC(=O)N1CC[C@H](NC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)C1	ZINC000328890651	819578958	/nfs/dbraw/zinc/57/89/58/819578958.db2.gz	RVOPLKCMDCMAMJ-KRWDZBQOSA-N	1	0	374.485	1.784	20	30		FDEDRO
Cc1noc([C@@H]2CN(CC(=O)NC3CC[NH+](C4CC4)CC3)CCN2C)n1	ZINC000328971755	819602136	/nfs/dbraw/zinc/60/21/36/819602136.db2.gz	VELKVFXOZVIMNN-INIZCTEOSA-N	1	0	362.478	1.250	20	30		FDEDRO
CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)N(CC(=O)NC2CC[NH+](C3CC3)CC2)C1	ZINC000328984607	819605066	/nfs/dbraw/zinc/60/50/66/819605066.db2.gz	ZILJRYJWVFHHHL-CVEARBPZSA-N	1	0	362.478	1.458	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)CN1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000330437219	819614177	/nfs/dbraw/zinc/61/41/77/819614177.db2.gz	ROTGULRDVPTUIZ-MBOZVWFJSA-N	1	0	364.534	1.862	20	30		FDEDRO
Cc1nc(C(=O)N(C)C)ccc1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	ZINC000330427955	819615583	/nfs/dbraw/zinc/61/55/83/819615583.db2.gz	UHGMQFGHRMNTCH-UHFFFAOYSA-N	1	0	361.490	1.422	20	30		FDEDRO
CC(C)CNC(=O)NC(=O)CN1CCC(C)(C[NH+]2CCN(C)CC2)CC1	ZINC000330826521	819644457	/nfs/dbraw/zinc/64/44/57/819644457.db2.gz	FYDIUJDONJXYDD-UHFFFAOYSA-N	1	0	367.538	1.022	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CCC(C#N)CC2)CC1	ZINC000331178799	819669562	/nfs/dbraw/zinc/66/95/62/819669562.db2.gz	MCVSYTQSDVZEPQ-UHFFFAOYSA-N	1	0	363.506	1.763	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1	ZINC000937481413	820049323	/nfs/dbraw/zinc/04/93/23/820049323.db2.gz	YFTAJCVZJCOKCJ-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1	ZINC000983927419	820122615	/nfs/dbraw/zinc/12/26/15/820122615.db2.gz	XICPHIFWXKFWGS-PBHICJAKSA-N	1	0	369.469	1.339	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc(C)n(C)n3)[C@H]2CC)C1=O	ZINC001087514646	820281329	/nfs/dbraw/zinc/28/13/29/820281329.db2.gz	HLFSTZSZEQUDRL-USXIJHARSA-N	1	0	359.474	1.098	20	30		FDEDRO
C#CCOc1ccccc1CNc1cnn(CC(=O)NCC[NH+](C)C)c1	ZINC000183910477	820289246	/nfs/dbraw/zinc/28/92/46/820289246.db2.gz	UEPSWTUWPRUZCZ-UHFFFAOYSA-N	1	0	355.442	1.185	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC000441732310	820428056	/nfs/dbraw/zinc/42/80/56/820428056.db2.gz	SGEYTAQYUOHIEM-ROUUACIJSA-N	1	0	370.453	1.299	20	30		FDEDRO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O	ZINC000520766300	820656416	/nfs/dbraw/zinc/65/64/16/820656416.db2.gz	RMKHMQZMWALKBD-FUHWJXTLSA-N	1	0	372.469	1.418	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCc3ccnn3C)C[C@H]21	ZINC001075807541	820876713	/nfs/dbraw/zinc/87/67/13/820876713.db2.gz	HUKPHRNXIKRHBL-AITUJVMLSA-N	1	0	358.486	1.477	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC[N@@H+]1C	ZINC000442167942	821074137	/nfs/dbraw/zinc/07/41/37/821074137.db2.gz	PYBXADTVKVSCDO-JQWIXIFHSA-N	1	0	366.368	1.697	20	30		FDEDRO
C[N@@H+]1CC[C@@H](C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C1	ZINC000521358831	821229145	/nfs/dbraw/zinc/22/91/45/821229145.db2.gz	BEQOQILSJWDCTP-CQSZACIVSA-N	1	0	352.442	1.327	20	30		FDEDRO
C=CCC[C@H](NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)OCC	ZINC000521560526	821292763	/nfs/dbraw/zinc/29/27/63/821292763.db2.gz	CBFVTAQKBLCZDQ-FXAWDEMLSA-N	1	0	360.454	1.638	20	30		FDEDRO
C=C(Br)CN1CC[C@H](NC(=O)Cc2cncnc2)[C@H]1CC	ZINC001087556748	821443887	/nfs/dbraw/zinc/44/38/87/821443887.db2.gz	DGWFJCUFBZEMSG-UONOGXRCSA-N	1	0	353.264	1.897	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1	ZINC000984219765	821528005	/nfs/dbraw/zinc/52/80/05/821528005.db2.gz	HMSYHVMUVJWMLR-KURKYZTESA-N	1	0	363.502	1.513	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087592462	821636636	/nfs/dbraw/zinc/63/66/36/821636636.db2.gz	NOBQWSVSWGIODI-UHOFOFEASA-N	1	0	360.483	1.567	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cnc[nH]c2=O)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087617187	821764007	/nfs/dbraw/zinc/76/40/07/821764007.db2.gz	LVABPPOTQXUOKB-DLBZAZTESA-N	1	0	351.410	1.837	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087635232	821853663	/nfs/dbraw/zinc/85/36/63/821853663.db2.gz	QJDJLXBLGGOAAF-FGTMMUONSA-N	1	0	354.454	1.554	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)[C@H]1CC	ZINC001087642207	821883598	/nfs/dbraw/zinc/88/35/98/821883598.db2.gz	ATQPEIQNNCGDJO-GOEBONIOSA-N	1	0	358.442	1.961	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC(=O)CC2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087673381	821984764	/nfs/dbraw/zinc/98/47/64/821984764.db2.gz	JQRBGTFAJFEROS-GBESFXJTSA-N	1	0	368.481	1.944	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CC[N@@H+]1Cc1ccc(C#N)c(F)c1	ZINC001087685479	822031504	/nfs/dbraw/zinc/03/15/04/822031504.db2.gz	PMXPVAMQXUZLJG-HYVNUMGLSA-N	1	0	358.417	1.303	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC[N@@H+]1Cc1ccc(OC)c(C#N)c1	ZINC001087691215	822051998	/nfs/dbraw/zinc/05/19/98/822051998.db2.gz	GGRCYQVPKWVOGT-NMDDUFOESA-N	1	0	369.465	1.928	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)[C@H]1CC	ZINC001087723366	822216217	/nfs/dbraw/zinc/21/62/17/822216217.db2.gz	MZZNHQJHWPFLPK-XWTMOSNGSA-N	1	0	363.502	1.702	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CCCNC(=O)c2ccc(F)cc2F)CC1	ZINC000524686953	828425978	/nfs/dbraw/zinc/42/59/78/828425978.db2.gz	SSSGIELBYMRLTI-UHFFFAOYSA-N	1	0	364.396	1.579	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)[C@@H]2CC)cc1	ZINC001087753442	822368366	/nfs/dbraw/zinc/36/83/66/822368366.db2.gz	INECRNACLRVITE-ZWKOTPCHSA-N	1	0	357.454	1.370	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](C[C@@H](OC)C3CCC3)[C@@H]2CC)nn1	ZINC001087754107	822368955	/nfs/dbraw/zinc/36/89/55/822368955.db2.gz	OEZHSTDYFUQSKD-CGTJXYLNSA-N	1	0	361.490	1.862	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnc(C)nc3C)[C@H]2CC)C1=O	ZINC001087766218	822392132	/nfs/dbraw/zinc/39/21/32/822392132.db2.gz	XBMVNFZYOCFBKF-RCCFBDPRSA-N	1	0	371.485	1.463	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)Cc2nonc2C)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087779820	822429653	/nfs/dbraw/zinc/42/96/53/822429653.db2.gz	AFYCAEIGTGQFJR-FUHWJXTLSA-N	1	0	353.426	1.962	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)C1=O	ZINC000984385059	822480153	/nfs/dbraw/zinc/48/01/53/822480153.db2.gz	RCDDTKOGPSSRAA-FGTAOJJYSA-N	1	0	361.486	1.073	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3ccc(C)nc3)[C@H]2CC)C1=O	ZINC001087830251	822525367	/nfs/dbraw/zinc/52/53/67/822525367.db2.gz	VVMGSKASCUOJBF-IPMKNSEASA-N	1	0	370.497	1.689	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087850879	822600535	/nfs/dbraw/zinc/60/05/35/822600535.db2.gz	YYDZEDDKOBJTSC-OKZBNKHCSA-N	1	0	367.449	1.060	20	30		FDEDRO
COC(=O)[C@@]1(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C[C@@H]1S(C)(=O)=O	ZINC000895510167	822632526	/nfs/dbraw/zinc/63/25/26/822632526.db2.gz	KRSXNCIZQXNWKG-MAUKXSAKSA-N	1	0	362.451	1.308	20	30		FDEDRO
C=C(C)C[C@H](CO)[NH2+]C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1	ZINC000895712829	822714097	/nfs/dbraw/zinc/71/40/97/822714097.db2.gz	DMQYEAVSXWKIIW-JKSUJKDBSA-N	1	0	369.506	1.666	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cc(CC)n[nH]4)C[C@@H]3C2)C1=O	ZINC001087892354	822738080	/nfs/dbraw/zinc/73/80/80/822738080.db2.gz	XFDMNEXYMIIWDD-RVKKMQEKSA-N	1	0	371.485	1.153	20	30		FDEDRO
C[NH+]=C(NCCOC1CCCCC1)N1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000262575512	828546316	/nfs/dbraw/zinc/54/63/16/828546316.db2.gz	OEAKQWJJAMWAKO-QGZVFWFLSA-N	1	0	366.506	1.234	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cscn4)C[C@@H]3C2)C1=O	ZINC001087908162	823742616	/nfs/dbraw/zinc/74/26/16/823742616.db2.gz	QHCOVDPHDAJAQB-YCPHGPKFSA-N	1	0	360.483	1.324	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc4c3OCCO4)CC[C@@H]2C1	ZINC001087909402	823754156	/nfs/dbraw/zinc/75/41/56/823754156.db2.gz	KVWDQRYWFGWOJT-INMHGKMJSA-N	1	0	355.438	1.898	20	30		FDEDRO
NC(=O)CC(=O)N1C[C@@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)CC[C@@H]2C1	ZINC001087915643	823799750	/nfs/dbraw/zinc/79/97/50/823799750.db2.gz	VOLNSKNRYPHFGY-CVEARBPZSA-N	1	0	359.857	1.347	20	30		FDEDRO
Cc1cc(S(=O)(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)ccc1C#N	ZINC000446827910	828579520	/nfs/dbraw/zinc/57/95/20/828579520.db2.gz	QUHMGBBUOUEHHT-UHFFFAOYSA-N	1	0	372.450	1.828	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@@H]1CCO[C@]2(CCOC2)C1)=[NH+]C1CCCCC1	ZINC000262258053	824094601	/nfs/dbraw/zinc/09/46/01/824094601.db2.gz	DGNLESLAIRGUBT-VQIMIIECSA-N	1	0	366.506	1.281	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(C(=O)C[C@@H]2CCC3(CCC3)CO2)CC1	ZINC000896181093	824160590	/nfs/dbraw/zinc/16/05/90/824160590.db2.gz	HGGRWJKFKVRZNG-KRWDZBQOSA-N	1	0	361.486	1.010	20	30		FDEDRO
CO[C@@H](C)c1noc(CN2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)n1	ZINC001087962189	824197899	/nfs/dbraw/zinc/19/78/99/824197899.db2.gz	CDPWYOPEWUCBDX-IMJJTQAJSA-N	1	0	358.442	1.471	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2c(C)[nH]nc2I)CC1	ZINC000896209275	824203270	/nfs/dbraw/zinc/20/32/70/824203270.db2.gz	WVMPPMAPEOPAJU-UHFFFAOYSA-N	1	0	374.226	1.703	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CC[C@H]3[C@H]1CCC[N@H+]3CCO)C2	ZINC000896264023	824261322	/nfs/dbraw/zinc/26/13/22/824261322.db2.gz	LVPIOPDZRDKUCE-CEXWTWQISA-N	1	0	354.454	1.266	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@]45C[C@H]4COC5)C[C@@H]3C2)c1	ZINC001087972691	824303427	/nfs/dbraw/zinc/30/34/27/824303427.db2.gz	SIUOGNPDMFHCBI-JKBKZWBZSA-N	1	0	351.450	1.875	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cc([C@H]4CCCN4C)[nH]n3)C[C@@H]2C1	ZINC001087973001	824304200	/nfs/dbraw/zinc/30/42/00/824304200.db2.gz	FQKNGTCBFMXWHF-JTDSTZFVSA-N	1	0	355.486	1.594	20	30		FDEDRO
CC[C@@H](C#N)Oc1cc(CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)ccc1OC	ZINC000896343391	824344744	/nfs/dbraw/zinc/34/47/44/824344744.db2.gz	UHLOAXVNTCGNCX-SJORKVTESA-N	1	0	373.453	1.713	20	30		FDEDRO
CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)C[C@@H]1C	ZINC000329023497	824535980	/nfs/dbraw/zinc/53/59/80/824535980.db2.gz	ITFNZJVQVCKTAO-SOUVJXGZSA-N	1	0	362.478	1.244	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)Nc2nnn(Cc3noc(C)n3)c2C)CC1	ZINC000329132134	824617512	/nfs/dbraw/zinc/61/75/12/824617512.db2.gz	PCHGLMIKBIJSAQ-UHFFFAOYSA-N	1	0	362.438	1.527	20	30		FDEDRO
CCn1cc([C@H]2OCC[C@@H]2NC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)cn1	ZINC000329153805	824633227	/nfs/dbraw/zinc/63/32/27/824633227.db2.gz	BDSOADKLZJJQAY-LUKYLMHMSA-N	1	0	363.462	1.052	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)CC1	ZINC000329153140	824633283	/nfs/dbraw/zinc/63/32/83/824633283.db2.gz	BOQHCEURXDJSEL-QYZOEREBSA-N	1	0	361.534	1.237	20	30		FDEDRO
Cc1noc([C@H](NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)C2CCOCC2)n1	ZINC000329158194	824633806	/nfs/dbraw/zinc/63/38/06/824633806.db2.gz	CSRCVECUKSYHLU-CWRNSKLLSA-N	1	0	363.462	1.786	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)c3cccc(-n4cccn4)c3)CC2)C1=O	ZINC000329162851	824638408	/nfs/dbraw/zinc/63/84/08/824638408.db2.gz	GEUPLSDWWADAGC-SFHVURJKSA-N	1	0	367.453	1.872	20	30		FDEDRO
Cn1cc(CN2CCN(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CC2)cn1	ZINC000329169675	824639909	/nfs/dbraw/zinc/63/99/09/824639909.db2.gz	JSRFFAUHEOPNDW-UHFFFAOYSA-N	1	0	362.522	1.761	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)Cc1ccccc1	ZINC001029480702	824655356	/nfs/dbraw/zinc/65/53/56/824655356.db2.gz	GRLSRJUVMFGZJV-LUYSREMJSA-N	1	0	370.493	1.856	20	30		FDEDRO
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C	ZINC000896582750	824670158	/nfs/dbraw/zinc/67/01/58/824670158.db2.gz	TZCOJBMCJMHPPN-CZUORRHYSA-N	1	0	355.442	1.615	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1	ZINC000984744199	824683775	/nfs/dbraw/zinc/68/37/75/824683775.db2.gz	XUZCCAFXKKNDQA-JLJPHGGASA-N	1	0	357.458	1.337	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2cc(C)no2)CC1	ZINC000329238781	824687531	/nfs/dbraw/zinc/68/75/31/824687531.db2.gz	LKACVICRPXCSSX-HOCLYGCPSA-N	1	0	367.469	1.883	20	30		FDEDRO
C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CNC(=O)NCc1ccc(F)cc1	ZINC000329242789	824691743	/nfs/dbraw/zinc/69/17/43/824691743.db2.gz	SLPSVAJPWXZGRA-PBHICJAKSA-N	1	0	362.449	1.915	20	30		FDEDRO
O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C1CCN(c2ccc3nncn3n2)CC1	ZINC000329267880	824702885	/nfs/dbraw/zinc/70/28/85/824702885.db2.gz	GNUVGQVBKMDJBF-CQSZACIVSA-N	1	0	355.446	1.534	20	30		FDEDRO
O=C(Nc1ccc(F)c(N2CCCNC2=O)c1)[C@H]1C[N@@H+]2CCN1CCC2	ZINC000329318716	824732530	/nfs/dbraw/zinc/73/25/30/824732530.db2.gz	FSZJEUSJFMVRGP-MRXNPFEDSA-N	1	0	361.421	1.928	20	30		FDEDRO
CN(C(=O)NC[C@H]1CCn2ncc(C(N)=O)c2C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000329379170	824762531	/nfs/dbraw/zinc/76/25/31/824762531.db2.gz	MWSJVIROYXVPEQ-RDGKXADDSA-N	1	0	374.489	1.800	20	30		FDEDRO
Cc1cc(C)nc(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)n1	ZINC000329447031	824795732	/nfs/dbraw/zinc/79/57/32/824795732.db2.gz	LGFQBKLBRFETNM-IAGOWNOFSA-N	1	0	358.490	1.756	20	30		FDEDRO
C[C@H](O)CN1CCN(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC1	ZINC000329483968	824829120	/nfs/dbraw/zinc/82/91/20/824829120.db2.gz	FLVFKLVRJZHJPX-SFHVURJKSA-N	1	0	366.550	1.945	20	30		FDEDRO
C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000329516894	824844888	/nfs/dbraw/zinc/84/48/88/824844888.db2.gz	PCGCVLIHCINQTD-IXDOHACOSA-N	1	0	363.506	1.749	20	30		FDEDRO
C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)C1	ZINC000329557159	824877632	/nfs/dbraw/zinc/87/76/32/824877632.db2.gz	BVQPWLJENXQUEX-CYBMUJFWSA-N	1	0	359.409	1.860	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)[C@H]1C[NH+]2CCC1CC2	ZINC000984792267	824934112	/nfs/dbraw/zinc/93/41/12/824934112.db2.gz	JEOCLFIQBOJAII-OKZBNKHCSA-N	1	0	369.469	1.337	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(-c4cccnc4)nn3)C[C@@H]2C1	ZINC001087987744	824936706	/nfs/dbraw/zinc/93/67/06/824936706.db2.gz	ZLXTTZRKQFQRHQ-CVEARBPZSA-N	1	0	352.442	1.632	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC000984811880	824987744	/nfs/dbraw/zinc/98/77/44/824987744.db2.gz	CYXCPNZUSCNOGF-XDKFSHSGSA-N	1	0	354.454	1.267	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CNC(=O)c4ccccc43)C[C@@H]2C1	ZINC001087996630	825002093	/nfs/dbraw/zinc/00/20/93/825002093.db2.gz	DPZSDUCDFNFQSG-GJYPPUQNSA-N	1	0	351.450	1.317	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(C(N)=O)c2)C1	ZINC000984826307	825033616	/nfs/dbraw/zinc/03/36/16/825033616.db2.gz	QJWPKWXVJLRTDM-DDBAPUKQSA-N	1	0	357.454	1.361	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ncnn2CC(F)F)C1	ZINC000984826448	825033973	/nfs/dbraw/zinc/03/39/73/825033973.db2.gz	UFALITDEIJTDLW-SYQHCUMBSA-N	1	0	369.416	1.119	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c(c3)NC(=O)CO4)C[C@@H]2C1	ZINC001088001018	825064415	/nfs/dbraw/zinc/06/44/15/825064415.db2.gz	PTMCQTJQYUQFIK-CVEARBPZSA-N	1	0	353.422	1.435	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCCNC4=O)C[C@@H]3C2)c1	ZINC001088002735	825112726	/nfs/dbraw/zinc/11/27/26/825112726.db2.gz	QXKGTYHMWDSARA-CEXWTWQISA-N	1	0	366.465	1.365	20	30		FDEDRO
C[N@H+](Cc1ccc(C#N)cc1)C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1	ZINC000985650572	828737823	/nfs/dbraw/zinc/73/78/23/828737823.db2.gz	NNUTZRADWUBRQZ-MSOLQXFVSA-N	1	0	368.481	1.883	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCCC(=O)N4)C[C@@H]3C2)c1	ZINC001088005925	825162160	/nfs/dbraw/zinc/16/21/60/825162160.db2.gz	DEXVXBDMXMROCM-CEXWTWQISA-N	1	0	366.465	1.507	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3sccc3-n3ccnn3)C[C@@H]2C1	ZINC001088006277	825163691	/nfs/dbraw/zinc/16/36/91/825163691.db2.gz	XFGJTKSFRLHUEN-CABCVRRESA-N	1	0	355.467	1.746	20	30		FDEDRO
C[N@@H+]1CCCC12CCN(CC(=O)Nc1cc(-n3cnnn3)ccc1F)CC2	ZINC000329650734	825198271	/nfs/dbraw/zinc/19/82/71/825198271.db2.gz	KPCAYASUKJCAIF-UHFFFAOYSA-N	1	0	373.436	1.950	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3cnc4ccc(OC)nn43)C[C@@H]2C1	ZINC001088017773	825289762	/nfs/dbraw/zinc/28/97/62/825289762.db2.gz	RCJYTOZEDOIHPJ-CABCVRRESA-N	1	0	355.442	1.708	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3c(C)nc4ccnn4c3C)C[C@@H]2C1	ZINC001088019498	825311986	/nfs/dbraw/zinc/31/19/86/825311986.db2.gz	ROZBVRDAAIOUNV-SJORKVTESA-N	1	0	351.454	1.763	20	30		FDEDRO
Cc1nc2ccc(NC(=O)NC(C)(C)CC[NH+]3CCN(C)CC3)cn2n1	ZINC000329781933	825451148	/nfs/dbraw/zinc/45/11/48/825451148.db2.gz	NOBITEQEPHPKDM-UHFFFAOYSA-N	1	0	359.478	1.589	20	30		FDEDRO
C[C@H](NC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCOC1	ZINC000329797969	825461630	/nfs/dbraw/zinc/46/16/30/825461630.db2.gz	GCBNTUYSXQIBEQ-XKGZKEIXSA-N	1	0	361.486	1.894	20	30		FDEDRO
C=C(Cl)CN1CC[C@@H]2CN(C(=O)[C@H]3CCCN(C(N)=O)C3)C[C@@H]2C1	ZINC001088033192	825469615	/nfs/dbraw/zinc/46/96/15/825469615.db2.gz	XFDSKSBEMBWVNA-ILXRZTDVSA-N	1	0	354.882	1.310	20	30		FDEDRO
CN1CCC(CNC(=O)c2cc3n(n2)CCCO3)([NH+]2CCCCC2)CC1	ZINC000329871197	825516764	/nfs/dbraw/zinc/51/67/64/825516764.db2.gz	ANYHEQRSVPGDFR-UHFFFAOYSA-N	1	0	361.490	1.921	20	30		FDEDRO
CO[C@@H]1CN([C@H](C)c2ccc(F)cc2)C[C@H]1NC(=O)CSCC#N	ZINC001211888775	825518228	/nfs/dbraw/zinc/51/82/28/825518228.db2.gz	OAXCILXLFSXURQ-DAXOMENPSA-N	1	0	351.447	1.959	20	30		FDEDRO
CC(C)c1nnc([C@@H]2CN(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)CCO2)o1	ZINC000329905698	825536609	/nfs/dbraw/zinc/53/66/09/825536609.db2.gz	JRMHFQFUGIZQIH-ZFWWWQNUSA-N	1	0	363.462	1.965	20	30		FDEDRO
Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCn3ncnc3C2)CC1	ZINC000329924839	825545910	/nfs/dbraw/zinc/54/59/10/825545910.db2.gz	JHVFEGUNMVAWAT-UHFFFAOYSA-N	1	0	354.458	1.981	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2C[C@H](F)CN2c2cccnn2)C[N@@H+]1C1CC1	ZINC000329950070	825559735	/nfs/dbraw/zinc/55/97/35/825559735.db2.gz	MDHXTIKNVDISKY-CTASWTNQSA-N	1	0	362.453	1.522	20	30		FDEDRO
Cn1ncc(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1C#N	ZINC000526003375	828795648	/nfs/dbraw/zinc/79/56/48/828795648.db2.gz	VASIYDPGIKFMEL-UHFFFAOYSA-N	1	0	366.425	1.370	20	30		FDEDRO
CCNC(=O)N1CC[C@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1	ZINC000329993440	825585076	/nfs/dbraw/zinc/58/50/76/825585076.db2.gz	YKNMYHCXEBAOTG-HNNXBMFYSA-N	1	0	367.494	1.143	20	30		FDEDRO
Cn1ccnc1[C@H]1CN(C(=O)NCC2([NH+](C)C)CCCCC2)CCN1C	ZINC000329997182	825585849	/nfs/dbraw/zinc/58/58/49/825585849.db2.gz	QBIXTLUEKOQBQX-MRXNPFEDSA-N	1	0	362.522	1.887	20	30		FDEDRO
CCc1cc(N2CCC(NC(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)ncn1	ZINC000330093397	825634100	/nfs/dbraw/zinc/63/41/00/825634100.db2.gz	ZSZBKWJYUQMHQA-WMLDXEAASA-N	1	0	360.506	1.994	20	30		FDEDRO
Cn1cnc2c(c1=O)CCN(C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C2	ZINC000330113948	825648767	/nfs/dbraw/zinc/64/87/67/825648767.db2.gz	SLUQXPHBEZRNLF-FUHWJXTLSA-N	1	0	367.453	1.498	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)c2cn([C@H]3CCOC3)nn2)Cc2ccccc2C1	ZINC000330118822	825651713	/nfs/dbraw/zinc/65/17/13/825651713.db2.gz	ZBKAFEFYVBWIAT-INIZCTEOSA-N	1	0	355.442	1.643	20	30		FDEDRO
Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CCN(C)C[C@H]2C)CCCC1	ZINC000330195286	825724637	/nfs/dbraw/zinc/72/46/37/825724637.db2.gz	ZNPVJUWWIIMSSI-CYBMUJFWSA-N	1	0	361.490	1.817	20	30		FDEDRO
C[C@@H]1C[C@H]1N1C[C@H](NC(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)CC1=O	ZINC000330244650	825763767	/nfs/dbraw/zinc/76/37/67/825763767.db2.gz	KHVBZHBILHZPJW-KCYZZUKISA-N	1	0	364.490	1.095	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CC[NH+](C2CCC2)CC1	ZINC000330249496	825765934	/nfs/dbraw/zinc/76/59/34/825765934.db2.gz	ZWLDEGYBEHXNFL-MOPGFXCFSA-N	1	0	364.534	1.838	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1	ZINC000526088297	828828488	/nfs/dbraw/zinc/82/84/88/828828488.db2.gz	QXLHTDOWHVJJBV-CQSZACIVSA-N	1	0	373.457	1.391	20	30		FDEDRO
Cn1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)c([C@H]2CCOC2)n1	ZINC000330299706	825827157	/nfs/dbraw/zinc/82/71/57/825827157.db2.gz	MNTMWZOQKDTWAU-AWEZNQCLSA-N	1	0	370.457	1.707	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1cnn(C)c1	ZINC001029511567	825912814	/nfs/dbraw/zinc/91/28/14/825912814.db2.gz	QPISRUCLWSNOCO-RDGPPVDQSA-N	1	0	358.486	1.619	20	30		FDEDRO
C[C@H]1C[NH+](CCCNC(=O)c2ccn(-c3cccc(C#N)c3)n2)C[C@H](C)O1	ZINC000281249674	825917102	/nfs/dbraw/zinc/91/71/02/825917102.db2.gz	NTHQEVQDWKHSFM-HOTGVXAUSA-N	1	0	367.453	1.973	20	30		FDEDRO
CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)NCc1nccn1C	ZINC000330339956	825943776	/nfs/dbraw/zinc/94/37/76/825943776.db2.gz	XHROAVUADYSRLJ-WMLDXEAASA-N	1	0	359.478	1.583	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1=O	ZINC000281464784	825963522	/nfs/dbraw/zinc/96/35/22/825963522.db2.gz	VNVRHJQHBIULTR-INIZCTEOSA-N	1	0	360.414	1.951	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@@H]1CC	ZINC000984986534	825987164	/nfs/dbraw/zinc/98/71/64/825987164.db2.gz	ISQNNJVSUDKEQE-JQHSSLGASA-N	1	0	371.485	1.870	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCCN3C3CCCC3)C[C@@H]2C1	ZINC001088079198	826130285	/nfs/dbraw/zinc/13/02/85/826130285.db2.gz	QQZFNBYENJCXKU-HBFSDRIKSA-N	1	0	359.514	1.433	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCN(CC(F)(F)F)C3)C[C@@H]2C1	ZINC001088082301	826189959	/nfs/dbraw/zinc/18/99/59/826189959.db2.gz	GUSRAINHVVCJOX-OAGGEKHMSA-N	1	0	357.420	1.674	20	30		FDEDRO
[NH2+]=C(NCCOc1ccc(F)cc1F)N1CCN(c2ncccn2)CC1	ZINC000262389258	826286664	/nfs/dbraw/zinc/28/66/64/826286664.db2.gz	IFEMIDINJWTHGC-UHFFFAOYSA-N	1	0	362.384	1.271	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)[C@H]2CC)nc1	ZINC000985087241	826308878	/nfs/dbraw/zinc/30/88/78/826308878.db2.gz	SQFOJVOYWTVIAU-QXAKKESOSA-N	1	0	368.481	1.657	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1CC[C@H](CN2CCOCC2)C1	ZINC000262404589	826376978	/nfs/dbraw/zinc/37/69/78/826376978.db2.gz	OISQNFZHJDAYKE-XDNAFOTISA-N	1	0	364.534	1.420	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3C[N@H+]([C@H]4CCCN(C)C4=O)CC[C@@H]3C2)c1	ZINC001088099336	826390208	/nfs/dbraw/zinc/39/02/08/826390208.db2.gz	FNWNZKLTVOOKSH-NEWSRXKRSA-N	1	0	366.465	1.078	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4cc5n(n4)CCO5)[C@@H]3C2)cc1	ZINC001075889343	833053265	/nfs/dbraw/zinc/05/32/65/833053265.db2.gz	KFDFTARQAOJUTC-FUHWJXTLSA-N	1	0	363.421	1.494	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)CC1	ZINC000108930468	826549994	/nfs/dbraw/zinc/54/99/94/826549994.db2.gz	FPLWKCMSVIQWHS-UHFFFAOYSA-N	1	0	369.513	1.902	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)C1	ZINC000866904717	826621283	/nfs/dbraw/zinc/62/12/83/826621283.db2.gz	LAYJYDDXMBFJCA-INIZCTEOSA-N	1	0	369.462	1.819	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCN(Cc3cnn(CC)n3)C[C@H]2C1	ZINC001088138166	826621710	/nfs/dbraw/zinc/62/17/10/826621710.db2.gz	WTIHZJNTWBYMTP-NEPXVJNWSA-N	1	0	373.501	1.560	20	30		FDEDRO
Cn1ncc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4)CC[C@@H]3C2)n1	ZINC001088139493	826640978	/nfs/dbraw/zinc/64/09/78/826640978.db2.gz	OXMIIXJOBQLMHA-SJORKVTESA-N	1	0	350.426	1.281	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000985160680	826650565	/nfs/dbraw/zinc/65/05/65/826650565.db2.gz	IWLMGRBKXIKVMV-UKPHBRMFSA-N	1	0	357.458	1.337	20	30		FDEDRO
COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4nc[nH]n4)C[C@@H]3C2)cc1C#N	ZINC001088144640	826698683	/nfs/dbraw/zinc/69/86/83/826698683.db2.gz	TYQRFBNVJYDGQK-ZBFHGGJFSA-N	1	0	366.425	1.279	20	30		FDEDRO
N#Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4ncc[nH]4)C[C@@H]3C2)ccc1F	ZINC001088151960	826805376	/nfs/dbraw/zinc/80/53/76/826805376.db2.gz	DYRBDQZFJYJTON-WBVHZDCISA-N	1	0	367.428	1.943	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)s2)C[C@H]1C(F)(F)F	ZINC001112178155	826916207	/nfs/dbraw/zinc/91/62/07/826916207.db2.gz	VPSPMTSKSFWWEW-NXEZZACHSA-N	1	0	359.373	1.463	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3c[nH]nc3C)[C@H]2CC)CC1	ZINC000985226147	826975361	/nfs/dbraw/zinc/97/53/61/826975361.db2.gz	XSFAHHIPFKXQHO-ZWKOTPCHSA-N	1	0	371.485	1.173	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cnc(Br)c(OC)c2)CC1	ZINC000928652990	827008264	/nfs/dbraw/zinc/00/82/64/827008264.db2.gz	URBKKEVQSSOSAK-UHFFFAOYSA-N	1	0	352.232	1.680	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(N[C@H]2CCc3nc(C)nn3C2)=[NH+]C)C12CCCC2	ZINC000262469004	827141292	/nfs/dbraw/zinc/14/12/92/827141292.db2.gz	YTDISRQEFKCNQD-HRCADAONSA-N	1	0	360.506	1.804	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCCN2CCOCC2)C[C@H]1C(F)(F)F	ZINC001112178820	827163869	/nfs/dbraw/zinc/16/38/69/827163869.db2.gz	FVRRFMPCOYMQHC-HUUCEWRRSA-N	1	0	363.424	1.654	20	30		FDEDRO
CCO[C@@H](C)C(=O)N[C@@H]1CN(CC#Cc2cccc(Cl)c2)C[C@H]1OC	ZINC001211914241	833186921	/nfs/dbraw/zinc/18/69/21/833186921.db2.gz	IGEXYKPOWSYNGB-BMGDILEWSA-N	1	0	364.873	1.932	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cnnn4)cc3)C[C@@H]2C1	ZINC001088192766	827392797	/nfs/dbraw/zinc/39/27/97/827392797.db2.gz	UKQXQMWOXWWCOE-SJORKVTESA-N	1	0	350.426	1.080	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(=O)n(CCCC)n3)C[C@@H]2C1	ZINC001088196930	827411588	/nfs/dbraw/zinc/41/15/88/827411588.db2.gz	HYJAJQYTUVOHFE-SJORKVTESA-N	1	0	356.470	1.461	20	30		FDEDRO
C=C(Br)CN1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1	ZINC001088199290	827428708	/nfs/dbraw/zinc/42/87/08/827428708.db2.gz	JOHSURKPYNSWKQ-ILXRZTDVSA-N	1	0	356.308	1.627	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCc4sccc4C3)C[C@@H]2C1	ZINC001088210790	827486817	/nfs/dbraw/zinc/48/68/17/827486817.db2.gz	BFAGHQSQISANDL-AEFFLSMTSA-N	1	0	357.523	1.910	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1	ZINC000666343401	833208368	/nfs/dbraw/zinc/20/83/68/833208368.db2.gz	APJAUASTLWPBKL-MRXNPFEDSA-N	1	0	353.532	1.935	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(CO[C@H]2CC[N@@H+](CCO)C2)CC1	ZINC001088233835	827596834	/nfs/dbraw/zinc/59/68/34/827596834.db2.gz	AZDCAHYVJLIATD-OTWHNJEPSA-N	1	0	366.502	1.289	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1	ZINC001088234937	827602945	/nfs/dbraw/zinc/60/29/45/827602945.db2.gz	FZESCZLXOHGDOC-NADOGSGZSA-N	1	0	360.498	1.925	20	30		FDEDRO
C[C@H](c1cccnc1)N1CCN(C(=O)NCc2nc(C#N)cs2)CC1	ZINC000897294619	827767016	/nfs/dbraw/zinc/76/70/16/827767016.db2.gz	SFGYTVLYHPINCB-CYBMUJFWSA-N	1	0	356.455	1.998	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCc2ccccc21)N1CCN(C[C@H]2CCOC2)CC1	ZINC000179070151	827813997	/nfs/dbraw/zinc/81/39/97/827813997.db2.gz	NMUWQHGDOYMJPX-MJGOQNOKSA-N	1	0	356.514	1.946	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn(CCOCC)c2)C[C@H]1C(F)(F)F	ZINC001112185092	827876894	/nfs/dbraw/zinc/87/68/94/827876894.db2.gz	TXZZVXWINXYOHR-ZIAGYGMSSA-N	1	0	358.364	1.145	20	30		FDEDRO
CN1C[C@@H](C(=O)N2CC[C@H]3CN(CC#Cc4ccccc4)C[C@H]32)CC1=O	ZINC001075855222	827932461	/nfs/dbraw/zinc/93/24/61/827932461.db2.gz	DQCOLHDQYSTVCX-GBESFXJTSA-N	1	0	351.450	1.049	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(C)n(C)n2)C1	ZINC001029741066	827956927	/nfs/dbraw/zinc/95/69/27/827956927.db2.gz	HXMKJBQOBAIWCJ-UHOSZYNNSA-N	1	0	360.502	1.990	20	30		FDEDRO
C[NH+]=C(NCCn1cnc2ccccc21)N1CCN(c2ccccn2)CC1	ZINC000262595426	828844825	/nfs/dbraw/zinc/84/48/25/828844825.db2.gz	WMWLTTCRJZWQSR-UHFFFAOYSA-N	1	0	363.469	1.829	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(C#N)cc1OC	ZINC000527438983	829066138	/nfs/dbraw/zinc/06/61/38/829066138.db2.gz	YODCGRZMUMZBHX-CABCVRRESA-N	1	0	356.426	1.591	20	30		FDEDRO
C=C(Br)C[NH2+]CCCNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1	ZINC001168095521	829102730	/nfs/dbraw/zinc/10/27/30/829102730.db2.gz	RXPWUNYCRAMNSU-ZIAGYGMSSA-N	1	0	371.279	1.293	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1noc2c1COCC2	ZINC000527602077	829109495	/nfs/dbraw/zinc/10/94/95/829109495.db2.gz	SGQQMFRSSKEYII-UHFFFAOYSA-N	1	0	354.410	1.823	20	30		FDEDRO
Cn1c(C#N)ccc1C(=O)Nc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC000448848932	829270730	/nfs/dbraw/zinc/27/07/30/829270730.db2.gz	QZJTUVMZOSVNOZ-HNNXBMFYSA-N	1	0	365.437	1.846	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000448937955	829313337	/nfs/dbraw/zinc/31/33/37/829313337.db2.gz	RWEHBTWRCYDKOZ-QRVBRYPASA-N	1	0	371.481	1.591	20	30		FDEDRO
CCN(CC)C(=O)C1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1	ZINC000528364254	829360442	/nfs/dbraw/zinc/36/04/42/829360442.db2.gz	LKBZKKGRRJZBDF-SFHVURJKSA-N	1	0	359.470	1.878	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(C[C@@H](O)COc2ccccc2C#N)CC1	ZINC000528375904	829368813	/nfs/dbraw/zinc/36/88/13/829368813.db2.gz	DPDYJAYPUBMKEX-VQTJNVASSA-N	1	0	372.513	1.400	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C[C@H](O)COc1ccccc1C#N	ZINC000528427438	829399146	/nfs/dbraw/zinc/39/91/46/829399146.db2.gz	YXEYJACGXIBBRH-AJYBTWMASA-N	1	0	359.470	1.481	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)=O)C[C@H]1C(F)(F)F	ZINC001112196467	829409745	/nfs/dbraw/zinc/40/97/45/829409745.db2.gz	LZAPVSVNFGDAOP-KFWWJZLASA-N	1	0	361.408	1.942	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1	ZINC000528461640	829415074	/nfs/dbraw/zinc/41/50/74/829415074.db2.gz	BCPMFDHQOALOGN-UONOGXRCSA-N	1	0	371.359	1.298	20	30		FDEDRO
C[C@H]1[C@H]([NH+]2CCCC2)CCN1CC#CCN1C(=O)c2ccccc2C1=O	ZINC000528502975	829428814	/nfs/dbraw/zinc/42/88/14/829428814.db2.gz	JKMQUSCCTFBSQC-QFBILLFUSA-N	1	0	351.450	1.845	20	30		FDEDRO
CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1	ZINC000528535222	829446289	/nfs/dbraw/zinc/44/62/89/829446289.db2.gz	CPUYTGMZERVTME-CJNGLKHVSA-N	1	0	371.359	1.298	20	30		FDEDRO
C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001088396279	829448226	/nfs/dbraw/zinc/44/82/26/829448226.db2.gz	COUXGIBAEUNLRZ-CMKODMSKSA-N	1	0	368.481	1.595	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCn2cncn2)C1	ZINC001088396528	829455986	/nfs/dbraw/zinc/45/59/86/829455986.db2.gz	JVVVXDBRVDYDET-SQNIBIBYSA-N	1	0	361.490	1.620	20	30		FDEDRO
C=CCN1CC[C@H](N2CCN(c3ccccc3OCC[NH+](C)C)CC2)C1=O	ZINC000282041487	833415687	/nfs/dbraw/zinc/41/56/87/833415687.db2.gz	QZTHMQFLZSNWTL-IBGZPJMESA-N	1	0	372.513	1.536	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCCC[C@H]1CC	ZINC001168110318	829552438	/nfs/dbraw/zinc/55/24/38/829552438.db2.gz	RSZAZIHSQFLWKD-AOIWGVFYSA-N	1	0	365.518	1.855	20	30		FDEDRO
C[C@H]1COCCN1CCNC(=O)CCCC(=O)Nc1ccccc1C#N	ZINC000449846367	829695600	/nfs/dbraw/zinc/69/56/00/829695600.db2.gz	XUPZCFICMYNJEU-HNNXBMFYSA-N	1	0	358.442	1.504	20	30		FDEDRO
C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1	ZINC000449891886	829714273	/nfs/dbraw/zinc/71/42/73/829714273.db2.gz	MNQSENQDKHNEFF-UKRRQHHQSA-N	1	0	374.872	1.975	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1	ZINC000449991014	829752855	/nfs/dbraw/zinc/75/28/55/829752855.db2.gz	UBWZLGQTGJMDSJ-MOPGFXCFSA-N	1	0	359.470	1.842	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@H]3CC[NH2+]C34CCC4)C2=O)cc1	ZINC000529319508	829827033	/nfs/dbraw/zinc/82/70/33/829827033.db2.gz	AMYQQDISAGFZSY-IRXDYDNUSA-N	1	0	367.453	1.243	20	30		FDEDRO
Cc1[nH]c(C#N)cc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000450180952	829846319	/nfs/dbraw/zinc/84/63/19/829846319.db2.gz	NJTYQBRRAJZXHN-APWZRJJASA-N	1	0	352.438	1.808	20	30		FDEDRO
N#C[C@H](CO)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1	ZINC000529467063	829903554	/nfs/dbraw/zinc/90/35/54/829903554.db2.gz	LRBGTKVABOJKFT-CEXWTWQISA-N	1	0	350.422	1.298	20	30		FDEDRO
C=CCc1cc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc(OC)c1OC	ZINC000262143082	837427506	/nfs/dbraw/zinc/42/75/06/837427506.db2.gz	YBEGMIAPGQVZEB-QGZVFWFLSA-N	1	0	359.470	1.552	20	30		FDEDRO
CC(C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C1)[NH+](C)C	ZINC000985974659	830225350	/nfs/dbraw/zinc/22/53/50/830225350.db2.gz	FEJVJFXCYULSPX-RVKKMQEKSA-N	1	0	371.485	1.393	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)NCC2([NH+]3CCCC3)CCOCC2)nc1	ZINC000729593610	830350882	/nfs/dbraw/zinc/35/08/82/830350882.db2.gz	VTXXZJHBTOKBRS-UHFFFAOYSA-N	1	0	372.473	1.309	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](O)COc1ccc(C(=O)OC)cc1OC	ZINC000451683205	830427652	/nfs/dbraw/zinc/42/76/52/830427652.db2.gz	TZWOTAREPNPRDI-XHSDSOJGSA-N	1	0	365.426	1.545	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@H]1CCN(C(=O)C[NH+](CC)CC)C1	ZINC001059688968	830460354	/nfs/dbraw/zinc/46/03/54/830460354.db2.gz	MGPVYIJSCVZFHT-LNLFQRSKSA-N	1	0	365.518	1.664	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1	ZINC000986068871	830482345	/nfs/dbraw/zinc/48/23/45/830482345.db2.gz	UYVWXKKHRZUGAB-QYZOEREBSA-N	1	0	357.498	1.581	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)C1	ZINC000986083592	830599616	/nfs/dbraw/zinc/59/96/16/830599616.db2.gz	OOESIHUSPQHQHN-MSOLQXFVSA-N	1	0	357.498	1.439	20	30		FDEDRO
Cc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)nn1-c1cccc(C#N)c1	ZINC000452376332	830638511	/nfs/dbraw/zinc/63/85/11/830638511.db2.gz	KSDXNENEHJDHFF-GOSISDBHSA-N	1	0	367.453	1.629	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N[C@H](C[NH+](C)C)c2ccccc2)ccc1C#N	ZINC000453586100	830959232	/nfs/dbraw/zinc/95/92/32/830959232.db2.gz	ISKBMNWMKNMMIE-MRXNPFEDSA-N	1	0	351.410	1.619	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CC[C@@H](Oc3ccncc3)C2)c1	ZINC000453658181	830990225	/nfs/dbraw/zinc/99/02/25/830990225.db2.gz	CDAXSNJKTNNFOY-QGZVFWFLSA-N	1	0	350.378	1.766	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)ccc1C#N	ZINC000453653226	831003402	/nfs/dbraw/zinc/00/34/02/831003402.db2.gz	GPDAXCNVTAMPEC-OAHLLOKOSA-N	1	0	355.442	1.535	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)ccc1C#N	ZINC000453763994	831058277	/nfs/dbraw/zinc/05/82/77/831058277.db2.gz	OQWDPYDRMINMDX-XJKCOSOUSA-N	1	0	355.442	1.389	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1	ZINC000453760247	831074204	/nfs/dbraw/zinc/07/42/04/831074204.db2.gz	JVUTYEADVCIOSK-HDMKZQKVSA-N	1	0	354.454	1.994	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1	ZINC000532264659	831079638	/nfs/dbraw/zinc/07/96/38/831079638.db2.gz	ONYYDECSMKHBSC-MOPGFXCFSA-N	1	0	372.469	1.614	20	30		FDEDRO
C=C1CC(C)(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)C[C@@H]3C2)C1	ZINC000986156622	831208500	/nfs/dbraw/zinc/20/85/00/831208500.db2.gz	HXZPUVLMDFSXGT-QYZOEREBSA-N	1	0	371.525	1.991	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)CC4CC4)C[C@H]3C2)CC1	ZINC000986245222	831355115	/nfs/dbraw/zinc/35/51/15/831355115.db2.gz	FWBJRVUPRHJFJB-MOPGFXCFSA-N	1	0	357.498	1.439	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)CSC)CC[C@@H]3C2)CC1	ZINC000986246218	831356843	/nfs/dbraw/zinc/35/68/43/831356843.db2.gz	NPRAOASHAPFFTM-SJORKVTESA-N	1	0	363.527	1.002	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)CC[C@@H]3C2)cn1	ZINC000986460029	831746637	/nfs/dbraw/zinc/74/66/37/831746637.db2.gz	OWCQHJMPJWWTPV-MSOLQXFVSA-N	1	0	366.465	1.079	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4C[C@@H]4C)C[C@@H]3C2)CC1	ZINC000986520112	831808313	/nfs/dbraw/zinc/80/83/13/831808313.db2.gz	NXDYJIDWKUNYAQ-NQYYFHDYSA-N	1	0	357.498	1.295	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](CCNC(=O)C[N@@H+](C)CCC)C1	ZINC001059724860	831836762	/nfs/dbraw/zinc/83/67/62/831836762.db2.gz	BNTPUBVLRBPNRC-AOIWGVFYSA-N	1	0	365.518	1.664	20	30		FDEDRO
C[N@@H+](Cc1ccc(C#N)s1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001029964230	831928556	/nfs/dbraw/zinc/92/85/56/831928556.db2.gz	ANHOFSMPLXMYBR-HZPDHXFCSA-N	1	0	362.455	1.955	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CC[C@@H]2C1	ZINC000986685613	832195723	/nfs/dbraw/zinc/19/57/23/832195723.db2.gz	KGDQJNIYEGOXPM-OAGGEKHMSA-N	1	0	369.469	1.291	20	30		FDEDRO
[NH2+]=C(NC[C@@H]1CS(=O)(=O)c2ccccc21)N[C@@H]1CCOc2ccccc21	ZINC000263028760	832240706	/nfs/dbraw/zinc/24/07/06/832240706.db2.gz	AZUSZQFXJAYKNS-CZUORRHYSA-N	1	0	371.462	1.986	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4CC45CC5)C[C@@H]3C2)CC1	ZINC000986767077	832261788	/nfs/dbraw/zinc/26/17/88/832261788.db2.gz	QCEMXPJJZBLHKV-QYZOEREBSA-N	1	0	369.509	1.439	20	30		FDEDRO
C=CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1	ZINC001105438778	832343537	/nfs/dbraw/zinc/34/35/37/832343537.db2.gz	NWUFNZNTJZQTDV-LXGFNABISA-N	1	0	371.481	1.402	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2C[C@H]2CC)C1	ZINC001105439900	832392719	/nfs/dbraw/zinc/39/27/19/832392719.db2.gz	SSMNRNZVUMTKJH-KIQACKJLSA-N	1	0	367.493	1.588	20	30		FDEDRO
C#CCC1(C(=O)N2CC[C@@H](CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CCC1	ZINC001059759451	832417852	/nfs/dbraw/zinc/41/78/52/832417852.db2.gz	VUENFLZPVUYHLP-KZNAEPCWSA-N	1	0	359.514	1.875	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCCCN(C(=O)C[NH+]2CCCC2)C1	ZINC000987033502	832453272	/nfs/dbraw/zinc/45/32/72/832453272.db2.gz	CFWKUEMKCGXPOI-KURKYZTESA-N	1	0	363.502	1.561	20	30		FDEDRO
CN1CC[NH+]=C1NCC1(N2CCN(c3ccccc3)CC2)CCOCC1	ZINC000263136946	832541763	/nfs/dbraw/zinc/54/17/63/832541763.db2.gz	NSKOXYNSNJSTJX-UHFFFAOYSA-N	1	0	357.502	1.249	20	30		FDEDRO
COc1cccc([C@@H]2C[C@H]2NC(=[NH2+])N2CCN(c3ncccn3)CC2)c1	ZINC000263157188	832589465	/nfs/dbraw/zinc/58/94/65/832589465.db2.gz	QBODUJAKLNRTIO-DLBZAZTESA-N	1	0	352.442	1.478	20	30		FDEDRO
C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NCc1cccc(C#N)c1	ZINC000897434511	833599767	/nfs/dbraw/zinc/59/97/67/833599767.db2.gz	VKKWJICJFQXPPN-HNNXBMFYSA-N	1	0	363.421	1.307	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1	ZINC001059845622	833792431	/nfs/dbraw/zinc/79/24/31/833792431.db2.gz	HDEUFGNQMHWRSF-ZACQAIPSSA-N	1	0	365.518	1.663	20	30		FDEDRO
C[C@H](C(=O)N[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@@H]1C)[NH+]1CCCCCC1	ZINC000987948819	833833175	/nfs/dbraw/zinc/83/31/75/833833175.db2.gz	BYVBYWLFPOFVOV-INMHGKMJSA-N	1	0	371.485	1.870	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@H]2C)nc1	ZINC000987975504	833853621	/nfs/dbraw/zinc/85/36/21/833853621.db2.gz	NEQDSIOXGFFLJG-AYBZRNKSSA-N	1	0	368.481	1.655	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)[C@H]2C)c1	ZINC000987963788	833873537	/nfs/dbraw/zinc/87/35/37/833873537.db2.gz	QOLCOILSXXSAMA-BEFAXECRSA-N	1	0	368.481	1.514	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@H](CN(C)C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000988030002	833947560	/nfs/dbraw/zinc/94/75/60/833947560.db2.gz	DVXLAFNXAMVFKX-IIAWOOMASA-N	1	0	357.458	1.147	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C)cc1	ZINC000988068014	833991260	/nfs/dbraw/zinc/99/12/60/833991260.db2.gz	RLTFMIKXGVSXAN-AYBZRNKSSA-N	1	0	369.465	1.370	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](CN(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC000988173455	834155117	/nfs/dbraw/zinc/15/51/17/834155117.db2.gz	YWLPOJRFGDGZBA-KBAYOESNSA-N	1	0	368.481	1.324	20	30		FDEDRO
[NH2+]=C(NCc1cccc(N2CCOCC2)n1)N[C@H]1CCOc2ccccc21	ZINC000262546010	837750007	/nfs/dbraw/zinc/75/00/07/837750007.db2.gz	SBUZUDIXTSVLJP-KRWDZBQOSA-N	1	0	367.453	1.846	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[C@H]3C3CC3)[C@H]2C)CC1	ZINC000988269138	834298098	/nfs/dbraw/zinc/29/80/98/834298098.db2.gz	KLQMGFPGIAJAMA-FDPIWHGQSA-N	1	0	357.498	1.483	20	30		FDEDRO
C=CCN(C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)C(C)C	ZINC000729614548	834772494	/nfs/dbraw/zinc/77/24/94/834772494.db2.gz	JSBQCIMJTZFBRP-UHFFFAOYSA-N	1	0	360.506	1.985	20	30		FDEDRO
C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCC(C)(C)CC#N	ZINC000459254731	834884852	/nfs/dbraw/zinc/88/48/52/834884852.db2.gz	FYTUOXSDRJTVEU-KRWDZBQOSA-N	1	0	373.501	1.515	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCc2ncncc2C1)C(C)C	ZINC000897476649	834986020	/nfs/dbraw/zinc/98/60/20/834986020.db2.gz	BYPVEDPASVTKIQ-SFHVURJKSA-N	1	0	371.485	1.176	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000454326052	835386152	/nfs/dbraw/zinc/38/61/52/835386152.db2.gz	MJBSBNKGYAQWPQ-MOPGFXCFSA-N	1	0	358.486	1.841	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2CCCC[N@H+]2CCO)cc1	ZINC000454543622	835550107	/nfs/dbraw/zinc/55/01/07/835550107.db2.gz	ROWWGDOTDCIRNR-QGZVFWFLSA-N	1	0	360.458	1.571	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@@H]1C	ZINC000988513299	835712972	/nfs/dbraw/zinc/71/29/72/835712972.db2.gz	GXJIQDTYYNRYRR-XOKHGSTOSA-N	1	0	357.458	1.480	20	30		FDEDRO
CN(CCOCc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCCOCC1	ZINC000454998940	835767620	/nfs/dbraw/zinc/76/76/20/835767620.db2.gz	IOEBKEIZKWECBT-UHFFFAOYSA-N	1	0	360.458	1.439	20	30		FDEDRO
CCCO[C@@H]1CCC[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1	ZINC000246110478	835922119	/nfs/dbraw/zinc/92/21/19/835922119.db2.gz	POUWENGEPQNSOZ-RTBURBONSA-N	1	0	364.534	1.960	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C#C)nc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105668973	844114867	/nfs/dbraw/zinc/11/48/67/844114867.db2.gz	NSMHOLISVMSBHR-JBPLPALLSA-N	1	0	365.477	1.666	20	30		FDEDRO
C[C@@H]1CN(CCO)CCN1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000455374418	836024809	/nfs/dbraw/zinc/02/48/09/836024809.db2.gz	ADWMJPXKGYNPRA-LLVKDONJSA-N	1	0	372.347	1.987	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCCNC4=O)[C@@H]3C2)cc1	ZINC001075912235	836149243	/nfs/dbraw/zinc/14/92/43/836149243.db2.gz	QGURJCFMJARMBJ-RCCFBDPRSA-N	1	0	352.438	1.117	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)CC(C)(C)C2)CC[N@@H+]1C	ZINC000990705753	844132390	/nfs/dbraw/zinc/13/23/90/844132390.db2.gz	GWKAPKBKOOTGCS-BPQIPLTHSA-N	1	0	359.514	1.873	20	30		FDEDRO
C=CCN(CCOC)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1	ZINC000478778260	844169995	/nfs/dbraw/zinc/16/99/95/844169995.db2.gz	BJZRALWNBHDKER-UHFFFAOYSA-N	1	0	361.490	1.568	20	30		FDEDRO
O=C(N[C@@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@@H]1O)[C@@H]1CC1(F)F	ZINC001083448375	836821084	/nfs/dbraw/zinc/82/10/84/836821084.db2.gz	IRSZIBBVMFKBSF-ZNMIVQPWSA-N	1	0	354.784	1.508	20	30		FDEDRO
CCn1nnc(C)c1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C	ZINC001088617595	836995155	/nfs/dbraw/zinc/99/51/55/836995155.db2.gz	REYODPAMAKWPGX-PBHICJAKSA-N	1	0	352.442	1.871	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1OC	ZINC001212092490	837104913	/nfs/dbraw/zinc/10/49/13/837104913.db2.gz	CNHJXMVVVOBDOH-GVDBMIGSSA-N	1	0	354.491	1.600	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nc1	ZINC000938039249	837180636	/nfs/dbraw/zinc/18/06/36/837180636.db2.gz	JBYUPBRUGCJJTN-XYJFISCASA-N	1	0	354.454	1.124	20	30		FDEDRO
CNC(NC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(Cc2ccccc2)c1)=[NH+]C	ZINC000262758565	837871927	/nfs/dbraw/zinc/87/19/27/837871927.db2.gz	CLHVMERWMFVHKQ-MAUKXSAKSA-N	1	0	354.458	1.246	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC000989063013	838257066	/nfs/dbraw/zinc/25/70/66/838257066.db2.gz	CPUZJUBXBORTGG-DOMZBBRYSA-N	1	0	366.425	1.380	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21	ZINC000272303845	838432751	/nfs/dbraw/zinc/43/27/51/838432751.db2.gz	HKHIDUUTVBBWIS-BBRMVZONSA-N	1	0	359.401	1.329	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2c(C)noc2CC)[C@@H]1C	ZINC001088631341	838603311	/nfs/dbraw/zinc/60/33/11/838603311.db2.gz	GGERGGDIGYJSKV-NJAFHUGGSA-N	1	0	358.486	1.722	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(OC)c2)[C@@H]1C	ZINC001088630975	838620611	/nfs/dbraw/zinc/62/06/11/838620611.db2.gz	KNGUKRYMSGKKRV-UXPWSPDFSA-N	1	0	355.482	1.872	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)[C@@H]1C	ZINC000989192216	838650278	/nfs/dbraw/zinc/65/02/78/838650278.db2.gz	ZZYCGRMFQMHNQB-QKLQHJQFSA-N	1	0	367.493	1.658	20	30		FDEDRO
COc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cn[nH]c(=O)c3)[C@H]2C)cc1C#N	ZINC001088641670	838779465	/nfs/dbraw/zinc/77/94/65/838779465.db2.gz	PJZPQKGNIKPBRV-WBMJQRKESA-N	1	0	367.409	1.455	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000989231953	838820756	/nfs/dbraw/zinc/82/07/56/838820756.db2.gz	IBWGHMRZXGOTLK-HIFRSBDPSA-N	1	0	357.458	1.480	20	30		FDEDRO
C=CCN1CC[C@H](N2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@H]2C)C1=O	ZINC001088791942	844376272	/nfs/dbraw/zinc/37/62/72/844376272.db2.gz	LLKLRQOULPOAEK-IKGGRYGDSA-N	1	0	362.518	1.227	20	30		FDEDRO
COc1cc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)ccc1OCc1cccc(C#N)c1	ZINC000459689096	838914185	/nfs/dbraw/zinc/91/41/85/838914185.db2.gz	IDYSXTKEECIYHU-OALUTQOASA-N	1	0	368.433	1.931	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1	ZINC000459826266	838969427	/nfs/dbraw/zinc/96/94/27/838969427.db2.gz	WUILGQKOJBCFHI-QZTJIDSGSA-N	1	0	364.534	1.428	20	30		FDEDRO
C#CC[N@H+](C)CCCN1C(=O)N[C@H](c2ccccc2Br)C1=O	ZINC000925312130	839358686	/nfs/dbraw/zinc/35/86/86/839358686.db2.gz	GMBHUIPHRBFJBF-CQSZACIVSA-N	1	0	364.243	1.997	20	30		FDEDRO
COc1ccc(CNC(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1C#N	ZINC000841863285	839458937	/nfs/dbraw/zinc/45/89/37/839458937.db2.gz	NTBIDTCKQJWTSA-MJGOQNOKSA-N	1	0	372.469	1.995	20	30		FDEDRO
N#CC1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1	ZINC000479545305	844468716	/nfs/dbraw/zinc/46/87/16/844468716.db2.gz	MARGNAKFQGETON-SFHVURJKSA-N	1	0	354.454	1.529	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2n[nH]c(C)c2Br)c1C#N	ZINC000760306274	839779913	/nfs/dbraw/zinc/77/99/13/839779913.db2.gz	CQIZENGKJIUKKV-UHFFFAOYSA-N	1	0	366.223	1.480	20	30		FDEDRO
CC[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1C1(C[NH2+]CC(=O)NCC#N)CCC1	ZINC001105565838	839983900	/nfs/dbraw/zinc/98/39/00/839983900.db2.gz	CEFZXENORLZUKC-BRWVUGGUSA-N	1	0	360.502	1.813	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105588074	840038967	/nfs/dbraw/zinc/03/89/67/840038967.db2.gz	QQRFKIVGWPADTG-YAJHFMINSA-N	1	0	365.518	1.301	20	30		FDEDRO
CC[NH+]1CCC(N2CCCN(C(=O)c3cnn(CCC#N)c3C)CC2)CC1	ZINC000897997451	840643976	/nfs/dbraw/zinc/64/39/76/840643976.db2.gz	HOCSLPPAGAIBIO-UHFFFAOYSA-N	1	0	372.517	1.737	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N1CCC(CC)([NH+]2CCCCC2)CC1	ZINC000898141021	840819834	/nfs/dbraw/zinc/81/98/34/840819834.db2.gz	WFOATBSSVFBMCA-QGZVFWFLSA-N	1	0	363.502	1.398	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)CSCC#N)C[C@]12C[C@@H](O)[C@H]([NH2+]C/C=C/Cl)C2	ZINC001105600216	840968034	/nfs/dbraw/zinc/96/80/34/840968034.db2.gz	DBKXRTUUYUMJSX-XUNRSBJBSA-N	1	0	371.934	1.962	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnsn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105600675	841002204	/nfs/dbraw/zinc/00/22/04/841002204.db2.gz	LJLLIWQVOJQXOR-JJAZEVLHSA-N	1	0	350.488	1.694	20	30		FDEDRO
C=CCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC3CC3)C2)[C@H]1C(C)C	ZINC001105606321	841205485	/nfs/dbraw/zinc/20/54/85/841205485.db2.gz	CGYZZWSBGHPRBJ-SMOSDQRPSA-N	1	0	363.502	1.197	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cc(C)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105607094	841212085	/nfs/dbraw/zinc/21/20/85/841212085.db2.gz	LJCKFNVIXSAWIZ-LFGUQSLTSA-N	1	0	360.502	1.734	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3occc3CC)[C@H]2C)CC1	ZINC000989732980	841401713	/nfs/dbraw/zinc/40/17/13/841401713.db2.gz	SZVUQWORJFCYAF-QAPCUYQASA-N	1	0	371.481	1.906	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C)c1	ZINC000989801369	841470184	/nfs/dbraw/zinc/47/01/84/841470184.db2.gz	FLJMEQBYVIXQCZ-KDOFPFPSSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1	ZINC000643494658	841623581	/nfs/dbraw/zinc/62/35/81/841623581.db2.gz	USIJFILNJZFLMG-SJLPKXTDSA-N	1	0	359.470	1.796	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(N)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105610443	841630469	/nfs/dbraw/zinc/63/04/69/841630469.db2.gz	KLAYMEHYKXXPEX-YAJHFMINSA-N	1	0	367.534	1.798	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)[C@H]2C)c1	ZINC000990004459	841793749	/nfs/dbraw/zinc/79/37/49/841793749.db2.gz	FOZPKZANWAFSLX-DAYGRLMNSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H]1C	ZINC000990006386	841806291	/nfs/dbraw/zinc/80/62/91/841806291.db2.gz	SOEHWNRODTXZHF-ZACQAIPSSA-N	1	0	358.486	1.735	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnnc(C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105620082	842241732	/nfs/dbraw/zinc/24/17/32/842241732.db2.gz	WNBXSNVVPHMQCA-MLYOOKFZSA-N	1	0	356.470	1.388	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cncnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105622553	842247874	/nfs/dbraw/zinc/24/78/74/842247874.db2.gz	CPIVQFXGPIFONE-LFGUQSLTSA-N	1	0	356.470	1.009	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105622599	842248247	/nfs/dbraw/zinc/24/82/47/842248247.db2.gz	DJMQBSWCZJMJQQ-MLYOOKFZSA-N	1	0	354.454	1.489	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3c[nH]cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105637875	842274585	/nfs/dbraw/zinc/27/45/85/842274585.db2.gz	WTWIKJYORWSONG-IZBJGVDFSA-N	1	0	358.486	1.332	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@H]1C(C)C	ZINC001105633057	842281718	/nfs/dbraw/zinc/28/17/18/842281718.db2.gz	PQOQNCNVRTYEEN-CIWUYKSXSA-N	1	0	363.502	1.206	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NCC)C2)[C@H]1C(C)C	ZINC001105633754	842283350	/nfs/dbraw/zinc/28/33/50/842283350.db2.gz	WLHOVNDKDMUISM-XNFNUYLZSA-N	1	0	365.518	1.445	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(OC)nc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105641668	842297197	/nfs/dbraw/zinc/29/71/97/842297197.db2.gz	DCXXRVGDXNZHOY-VGUOSERISA-N	1	0	371.481	1.693	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cncc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105642076	842301988	/nfs/dbraw/zinc/30/19/88/842301988.db2.gz	HMMOCUBUUJEPLT-IZBJGVDFSA-N	1	0	358.486	1.181	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(COC)CCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105642697	842319691	/nfs/dbraw/zinc/31/96/91/842319691.db2.gz	LFCTTXUFHSDVCQ-WOCWXWTJSA-N	1	0	350.503	1.955	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3ccc(C)cc3)[C@H]2C)C1=O	ZINC001088715580	842393260	/nfs/dbraw/zinc/39/32/60/842393260.db2.gz	IDNLRSRDAJPBFV-NZSAHSFTSA-N	1	0	355.482	1.903	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)cnn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105645448	842394713	/nfs/dbraw/zinc/39/47/13/842394713.db2.gz	AVJBOWOFLQAAEK-CIWUYKSXSA-N	1	0	360.502	1.884	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCF)[C@H]2C(C)C)C[C@H]1O	ZINC001105652361	842453562	/nfs/dbraw/zinc/45/35/62/842453562.db2.gz	LJRWBFGOLSWTNG-VVWQDTPRSA-N	1	0	369.481	1.004	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cnc[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105654995	842481295	/nfs/dbraw/zinc/48/12/95/842481295.db2.gz	COARBBRUWZZIEW-LFGUQSLTSA-N	1	0	360.502	1.885	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3cn[nH]c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105656371	842492348	/nfs/dbraw/zinc/49/23/48/842492348.db2.gz	PDOAINHDDYNUNA-LFGUQSLTSA-N	1	0	360.502	1.885	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccn(C)c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105659514	842510644	/nfs/dbraw/zinc/51/06/44/842510644.db2.gz	OSVGTOMHFGKPHF-BNDYYXHWSA-N	1	0	357.498	1.937	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2N(C)C)C[C@@H]1O	ZINC001083470538	842593830	/nfs/dbraw/zinc/59/38/30/842593830.db2.gz	YMCZLBNTKHIDDT-JYBIWHBTSA-N	1	0	373.497	1.395	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc3n(n2)CCCO3)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088735775	842671910	/nfs/dbraw/zinc/67/19/10/842671910.db2.gz	HKUZJOLSDHPWPU-PBHICJAKSA-N	1	0	365.437	1.930	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C	ZINC000990566954	842795858	/nfs/dbraw/zinc/79/58/58/842795858.db2.gz	XHQDVHUWEHAQHW-MLHJIOFPSA-N	1	0	363.502	1.511	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CNC(=O)c1ccco1	ZINC000461347881	842998247	/nfs/dbraw/zinc/99/82/47/842998247.db2.gz	CCEHEGRFJAAJLA-UHFFFAOYSA-N	1	0	354.410	1.471	20	30		FDEDRO
CC[NH+](CC)C[C@@H](C)NC(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C	ZINC000462107772	843315839	/nfs/dbraw/zinc/31/58/39/843315839.db2.gz	IFBODYOAVWXGHB-CQSZACIVSA-N	1	0	355.446	2.299	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(CCOC)CCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105667330	843610021	/nfs/dbraw/zinc/61/00/21/843610021.db2.gz	ARHXCKIQCRRURX-DCXXXQMHSA-N	1	0	362.514	1.793	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3cncc(C)c3)[C@H]2C)C1=O	ZINC001088774589	843706266	/nfs/dbraw/zinc/70/62/66/843706266.db2.gz	XFAIXMMIZYNYKT-NJAFHUGGSA-N	1	0	356.470	1.298	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1	ZINC000667606391	844716666	/nfs/dbraw/zinc/71/66/66/844716666.db2.gz	BXBVJMAKZWCPPN-GOSISDBHSA-N	1	0	351.491	1.418	20	30		FDEDRO
C#Cc1ccc(C[NH2+][C@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)cc1	ZINC000898487496	844775698	/nfs/dbraw/zinc/77/56/98/844775698.db2.gz	MLWHINNONVLRMS-HFCFLWKCSA-N	1	0	361.463	1.657	20	30		FDEDRO
C[C@@H](CCC#N)C[NH2+][C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1	ZINC000898530187	844825575	/nfs/dbraw/zinc/82/55/75/844825575.db2.gz	YWRILOVLUXHEBF-KBPBESRZSA-N	1	0	350.463	1.736	20	30		FDEDRO
C=CCN1CC[C@H]([NH+]2CCC(O)(CNC(=O)OC(C)(C)C)CC2)C1=O	ZINC000842167145	845180194	/nfs/dbraw/zinc/18/01/94/845180194.db2.gz	YHKDPVMAUQHHQZ-AWEZNQCLSA-N	1	0	353.463	1.125	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCn3cccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105672696	845203667	/nfs/dbraw/zinc/20/36/67/845203667.db2.gz	CSBNIKBAUZGASJ-LFGUQSLTSA-N	1	0	358.486	1.263	20	30		FDEDRO
N#Cc1ccccc1NC1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1	ZINC000898790819	845234009	/nfs/dbraw/zinc/23/40/09/845234009.db2.gz	GRCMFRBAVLSDJN-SFHVURJKSA-N	1	0	354.454	1.682	20	30		FDEDRO
O=C(NCC(F)(C(F)(F)F)C(F)(F)F)C1C[NH+]([C@@H]2CCOC2)C1	ZINC000899093682	845752104	/nfs/dbraw/zinc/75/21/04/845752104.db2.gz	UYOGCGZNHIIBIA-MRVPVSSYSA-N	1	0	352.250	1.656	20	30		FDEDRO
COCC[N@H+](C)CCN1C[C@H](NC(=O)c2c(C)cc(C#N)cc2C)CC1=O	ZINC000899127466	845831538	/nfs/dbraw/zinc/83/15/38/845831538.db2.gz	MPEZKWPGLOJKFG-QGZVFWFLSA-N	1	0	372.469	1.084	20	30		FDEDRO
N#Cc1ccc(Cn2cc(NC(=O)C3C[NH+](C4CCOCC4)C3)cn2)cc1	ZINC000899172489	845904533	/nfs/dbraw/zinc/90/45/33/845904533.db2.gz	WNSPIKNSSZXVDS-UHFFFAOYSA-N	1	0	365.437	1.852	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nonc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105676590	845975450	/nfs/dbraw/zinc/97/54/50/845975450.db2.gz	XJSKSPRGCDEWOW-IIHSZXCVSA-N	1	0	362.474	1.924	20	30		FDEDRO
C=C(C)C[N@@H+](C)CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1	ZINC000481264185	846295577	/nfs/dbraw/zinc/29/55/77/846295577.db2.gz	ZQZVUXZVMGSXTO-GOSISDBHSA-N	1	0	373.453	1.005	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)CC1	ZINC000899589450	846467290	/nfs/dbraw/zinc/46/72/90/846467290.db2.gz	VLAQDPNPPOJOKD-SJORKVTESA-N	1	0	363.502	1.249	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000899921744	846900484	/nfs/dbraw/zinc/90/04/84/846900484.db2.gz	ZGXZGGFMPVXQDX-UHFFFAOYSA-N	1	0	351.472	1.918	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC(F)(F)F)C1	ZINC001112101551	863296246	/nfs/dbraw/zinc/29/62/46/863296246.db2.gz	RYADSBSKDDVVOK-GHMZBOCLSA-N	1	0	360.298	1.958	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@H]32)cc1	ZINC001076333552	847908091	/nfs/dbraw/zinc/90/80/91/847908091.db2.gz	FPQHJMZILQZKJX-QXAKKESOSA-N	1	0	367.449	1.124	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4ccnc4)nn3)[C@@H]2C1	ZINC001076355121	847942877	/nfs/dbraw/zinc/94/28/77/847942877.db2.gz	XEHNFRSDZGWDPM-DOTOQJQBSA-N	1	0	352.442	1.775	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cc4ncc[nH]4)[C@@H]3C2)cc1C#N	ZINC001076401900	848063220	/nfs/dbraw/zinc/06/32/20/848063220.db2.gz	FQHALJSDUHEUHZ-DOTOQJQBSA-N	1	0	365.437	1.565	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(Cc4ccc(C#N)s4)C[C@H]32)C1	ZINC001076462338	848211793	/nfs/dbraw/zinc/21/17/93/848211793.db2.gz	QPZOSQXQHBAHCY-RVKKMQEKSA-N	1	0	358.511	1.994	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)CC1CC[NH+](C)CC1	ZINC001076490220	848268681	/nfs/dbraw/zinc/26/86/81/848268681.db2.gz	BKRGNDHOYFOZDS-IEZWGBDMSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cccc(OC)c4)[C@@H]3C2)C1=O	ZINC001076493410	848274410	/nfs/dbraw/zinc/27/44/10/848274410.db2.gz	DWTKSPJAAGYLIA-QXAKKESOSA-N	1	0	369.465	1.628	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(Cc4ccn(CC)n4)C[C@H]32)CC1	ZINC001076605843	848556647	/nfs/dbraw/zinc/55/66/47/848556647.db2.gz	WACLVXZWENIVPF-AZUAARDMSA-N	1	0	369.513	1.281	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC001076727602	848870249	/nfs/dbraw/zinc/87/02/49/848870249.db2.gz	SFLBUCBBCQPHHG-ATIWLJMLSA-N	1	0	365.518	1.709	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC3CCC(F)(F)CC3)C[C@H]2O)[nH]1	ZINC001076898531	849283124	/nfs/dbraw/zinc/28/31/24/849283124.db2.gz	NRDJSCMWMBXJEK-HUUCEWRRSA-N	1	0	352.385	1.487	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC[C@H](C)NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1	ZINC001076917304	849314818	/nfs/dbraw/zinc/31/48/18/849314818.db2.gz	DLMRTXCBSKOEMD-HLNWXESRSA-N	1	0	371.525	1.945	20	30		FDEDRO
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(c2cc[nH+]cc2OC)CC1	ZINC000483208475	849380657	/nfs/dbraw/zinc/38/06/57/849380657.db2.gz	IBEORWXKTVLZMO-LJQANCHMSA-N	1	0	366.421	1.998	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1	ZINC000483205901	849380855	/nfs/dbraw/zinc/38/08/55/849380855.db2.gz	WIZPEFRWBKUKOS-KXBFYZLASA-N	1	0	359.474	1.655	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O	ZINC001076986199	849478020	/nfs/dbraw/zinc/47/80/20/849478020.db2.gz	OSOBWPNSIGYOKI-CEXWTWQISA-N	1	0	356.470	1.092	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(Cl)cc2)C[C@H]1O	ZINC001077016527	849547469	/nfs/dbraw/zinc/54/74/69/849547469.db2.gz	RBMKMFLAPCKHHK-TVFCKZIOSA-N	1	0	364.873	1.983	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)C(C)(C)[N@@H+](C)CC	ZINC001077108877	849774760	/nfs/dbraw/zinc/77/47/60/849774760.db2.gz	XGGFHCDGCGHFNI-JYJNAYRXSA-N	1	0	353.507	1.709	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1O	ZINC001077247364	850239329	/nfs/dbraw/zinc/23/93/29/850239329.db2.gz	VIADXVIOQBYCNJ-KBAYOESNSA-N	1	0	360.454	1.453	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CCOC3CCC3)C[C@@H]2O)cc1	ZINC001083577573	850912698	/nfs/dbraw/zinc/91/26/98/850912698.db2.gz	AAKDGRSGLWDYQY-MOPGFXCFSA-N	1	0	360.454	1.595	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(c1nc(Cn3cc(Br)cn3)no1)C2	ZINC000904096485	850968578	/nfs/dbraw/zinc/96/85/78/850968578.db2.gz	IZHBTMLNZJCODT-OPASDULOSA-N	1	0	363.219	1.684	20	30		FDEDRO
O=C(C1CC[NH+](C2CC2)CC1)N(O)CCCN1C(=O)c2ccccc2C1=O	ZINC000904185766	851005303	/nfs/dbraw/zinc/00/53/03/851005303.db2.gz	IPOWBJDZGDJSGV-UHFFFAOYSA-N	1	0	371.437	1.765	20	30		FDEDRO
C[C@@](O)(C[NH2+][C@H]1CCN(CC(F)(F)F)C1=O)C(F)(F)C(F)(F)F	ZINC000905103629	851661397	/nfs/dbraw/zinc/66/13/97/851661397.db2.gz	KZJYIHOAHPYQSW-POYBYMJQSA-N	1	0	358.229	1.688	20	30		FDEDRO
CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC#CC[NH+](C)C)c1	ZINC000913514544	862293732	/nfs/dbraw/zinc/29/37/32/862293732.db2.gz	UHKJBPXHQARCOY-UHFFFAOYSA-N	1	0	351.472	1.012	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1	ZINC000913514319	862293858	/nfs/dbraw/zinc/29/38/58/862293858.db2.gz	MDYCOKWJFYVZDZ-KRWDZBQOSA-N	1	0	369.490	1.770	20	30		FDEDRO
CCN(CC)S(=O)(=O)c1cc(C(=O)NCC#CC[NH+](C)C)ccc1F	ZINC000913514616	862293969	/nfs/dbraw/zinc/29/39/69/862293969.db2.gz	WRLKCLXFHIVGNF-UHFFFAOYSA-N	1	0	369.462	1.151	20	30		FDEDRO
Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)NCC#CC[NH+](C)C)C2)c1	ZINC000913516725	862298675	/nfs/dbraw/zinc/29/86/75/862298675.db2.gz	CAXQWRZRAFOLRV-QGZVFWFLSA-N	1	0	356.470	1.920	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]C[C@H]2CCC3(CCOCC3)CO2)CCOCC1	ZINC000905425109	851931760	/nfs/dbraw/zinc/93/17/60/851931760.db2.gz	NHHOVRWEOFHEIZ-DLBZAZTESA-N	1	0	352.475	1.623	20	30		FDEDRO
CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC#CC[NH+](C)C	ZINC000913518421	862302052	/nfs/dbraw/zinc/30/20/52/862302052.db2.gz	OJISWSPLSLUSKR-LJQANCHMSA-N	1	0	355.482	1.667	20	30		FDEDRO
Cc1cccc(C2N=NC(=S)N2CCC(=O)NCC#CC[NH+](C)C)c1	ZINC000913518819	862302584	/nfs/dbraw/zinc/30/25/84/862302584.db2.gz	BXRSDCSUTBXOQM-UHFFFAOYSA-N	1	0	357.483	1.614	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1cc(=O)[nH]c2c(Br)cccc12	ZINC000913519933	862305309	/nfs/dbraw/zinc/30/53/09/862305309.db2.gz	VJRLRZQUIWOQLX-UHFFFAOYSA-N	1	0	362.227	1.998	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)nc1	ZINC000905507395	851981120	/nfs/dbraw/zinc/98/11/20/851981120.db2.gz	AUONTHKEOWWZTO-GOOCMWNKSA-N	1	0	351.497	1.991	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1cccnc1	ZINC000905555787	852031958	/nfs/dbraw/zinc/03/19/58/852031958.db2.gz	GEJNYKAJGIWLIO-UYAOXDASSA-N	1	0	354.454	1.976	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCCN1CC(F)(F)F	ZINC000905567132	852041308	/nfs/dbraw/zinc/04/13/08/852041308.db2.gz	YOPBCZGJMBZPBW-LSDHHAIUSA-N	1	0	357.376	1.914	20	30		FDEDRO
CN(C)[C@H](CC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C(F)(F)F	ZINC000905574845	852047384	/nfs/dbraw/zinc/04/73/84/852047384.db2.gz	DFJRXSFIISTXNP-CQSZACIVSA-N	1	0	363.405	1.804	20	30		FDEDRO
CC1(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)CCC2(CC1)OCCO2	ZINC000905657775	852126008	/nfs/dbraw/zinc/12/60/08/852126008.db2.gz	XNCAVKPVMUGQGL-MRXNPFEDSA-N	1	0	352.475	1.971	20	30		FDEDRO
N#C[C@H]1CCCN(CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)C1	ZINC000905725374	852229065	/nfs/dbraw/zinc/22/90/65/852229065.db2.gz	RKWGDASHYBNSBA-KURKYZTESA-N	1	0	352.438	1.296	20	30		FDEDRO
C=CC[C@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C(=O)OC	ZINC000905759081	852249890	/nfs/dbraw/zinc/24/98/90/852249890.db2.gz	ILTHAEZZQLRABS-MSOLQXFVSA-N	1	0	359.470	1.591	20	30		FDEDRO
C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCCC[NH+]1CCOCC1	ZINC000668512383	852511055	/nfs/dbraw/zinc/51/10/55/852511055.db2.gz	QFIINPHERKIXFW-IRXDYDNUSA-N	1	0	351.491	1.466	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH+]1CC2(C1)CCCN(C(=O)OC(C)(C)C)C2	ZINC000905978656	852511956	/nfs/dbraw/zinc/51/19/56/852511956.db2.gz	URVITZLLKYRKMI-INIZCTEOSA-N	1	0	366.506	1.526	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)NCCCC[NH+]2CCN(CC)CC2)C1	ZINC000668513674	852528420	/nfs/dbraw/zinc/52/84/20/852528420.db2.gz	VCAGWMGJAUSZIS-GOSISDBHSA-N	1	0	364.534	1.335	20	30		FDEDRO
COC[C@@]1(C[NH+](C)C)COCCN1C(=O)Cc1c(C)cc(C#N)cc1C	ZINC000906124324	852624443	/nfs/dbraw/zinc/62/44/43/852624443.db2.gz	STUTYQYCMAJVTG-FQEVSTJZSA-N	1	0	359.470	1.523	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]1[C@@H](C)O)C(C)C	ZINC000668532202	852720152	/nfs/dbraw/zinc/72/01/52/852720152.db2.gz	XHSUMAZUNWDZFI-BRWVUGGUSA-N	1	0	351.491	1.173	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H](C)n2ncnc21)C(C)C	ZINC000668532045	852720968	/nfs/dbraw/zinc/72/09/68/852720968.db2.gz	RXUUPRNBZNSYNB-ARFHVFGLSA-N	1	0	374.489	1.215	20	30		FDEDRO
CN1CC[N@H+](C)CC(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1	ZINC000907193767	853935987	/nfs/dbraw/zinc/93/59/87/853935987.db2.gz	VIRJKDMJXMGBCS-UHFFFAOYSA-N	1	0	371.485	1.253	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1	ZINC000669209607	862536868	/nfs/dbraw/zinc/53/68/68/862536868.db2.gz	LKMKFIZABYUNPW-AEFFLSMTSA-N	1	0	359.470	1.475	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CC2)c1C#N	ZINC000907664198	854481612	/nfs/dbraw/zinc/48/16/12/854481612.db2.gz	OPPIEXGSMHHGCO-WBVHZDCISA-N	1	0	356.474	1.266	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCC[N@@H+]1C	ZINC000486505109	854738230	/nfs/dbraw/zinc/73/82/30/854738230.db2.gz	DWNBUSLGQYSIKA-FHLIZLRMSA-N	1	0	369.469	1.441	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C(C)C)C[C@H]1OC	ZINC001212150272	862666853	/nfs/dbraw/zinc/66/68/53/862666853.db2.gz	SXRGYBFBGPRMNS-RTBURBONSA-N	1	0	371.481	1.265	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CC(=O)NCC(=O)NCC[NH+]1CCCCCC1	ZINC000908377897	855361797	/nfs/dbraw/zinc/36/17/97/855361797.db2.gz	QHEZQXLPCFAPKY-UHFFFAOYSA-N	1	0	370.497	1.826	20	30		FDEDRO
C=CCn1c(-c2cccnn2)nnc1N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1	ZINC000908710813	855713299	/nfs/dbraw/zinc/71/32/99/855713299.db2.gz	VLWAWGBWVSVJOA-GASCZTMLSA-N	1	0	357.462	1.467	20	30		FDEDRO
C=CCn1c(-c2cnsn2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000908713001	855716580	/nfs/dbraw/zinc/71/65/80/855716580.db2.gz	QSQQWCQCHGQUIT-CYBMUJFWSA-N	1	0	361.475	1.141	20	30		FDEDRO
C=CCn1c(-c2cccnn2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C	ZINC000908716473	855721570	/nfs/dbraw/zinc/72/15/70/855721570.db2.gz	YFNPJGPNGCOUNG-HNNXBMFYSA-N	1	0	369.473	1.611	20	30		FDEDRO
COCCn1c(-c2cccc(C#N)c2)nnc1N1CC[N@H+](C)C(C)(C)C1	ZINC000909089094	856151662	/nfs/dbraw/zinc/15/16/62/856151662.db2.gz	CVQDVSFUHMJEMW-UHFFFAOYSA-N	1	0	354.458	1.994	20	30		FDEDRO
C=C(C)Cn1c(-c2ncnc3[nH]cnc32)nnc1N1CC[NH+](C2CC2)CC1	ZINC000909314917	856434149	/nfs/dbraw/zinc/43/41/49/856434149.db2.gz	WYGNQALITJCGSJ-UHFFFAOYSA-N	1	0	365.445	1.424	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[N@@H+](CC)C[C@H]2C)cc1	ZINC000910293493	857068451	/nfs/dbraw/zinc/06/84/51/857068451.db2.gz	JFGMDBPADIJNCN-OAHLLOKOSA-N	1	0	363.483	1.154	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1	ZINC000910706460	857551448	/nfs/dbraw/zinc/55/14/48/857551448.db2.gz	FCVJJNIILFCKLW-HOCLYGCPSA-N	1	0	360.483	1.521	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CCS[C@@H](C(C)C)C1)C1CC[NH+](C)CC1	ZINC000910888358	857844090	/nfs/dbraw/zinc/84/40/90/857844090.db2.gz	ZNZFJDSLJIMFJP-MRXNPFEDSA-N	1	0	351.516	1.142	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2	ZINC000911000173	858016164	/nfs/dbraw/zinc/01/61/64/858016164.db2.gz	DEFOXEXQTMBXLX-HXUWFJFHSA-N	1	0	357.454	1.612	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2	ZINC000911000172	858016421	/nfs/dbraw/zinc/01/64/21/858016421.db2.gz	DEFOXEXQTMBXLX-FQEVSTJZSA-N	1	0	357.454	1.612	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)N2CCCC[C@@H]2C2(C[NH3+])CCC2)c1	ZINC000911054090	858049077	/nfs/dbraw/zinc/04/90/77/858049077.db2.gz	DDJXCTSKECNKEY-QGZVFWFLSA-N	1	0	354.454	1.685	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c(F)c1	ZINC000911171170	858280266	/nfs/dbraw/zinc/28/02/66/858280266.db2.gz	FCSRYLOZJAEZIO-WCQYABFASA-N	1	0	372.322	1.052	20	30		FDEDRO
C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000669336621	863011906	/nfs/dbraw/zinc/01/19/06/863011906.db2.gz	NTXHOSMDYADOPY-HNNXBMFYSA-N	1	0	374.493	1.197	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1	ZINC000911350244	858500079	/nfs/dbraw/zinc/50/00/79/858500079.db2.gz	DJMRZBYASDDICI-HNNXBMFYSA-N	1	0	351.491	1.370	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1	ZINC000911385126	858547874	/nfs/dbraw/zinc/54/78/74/858547874.db2.gz	IPTOENQAQOMIAY-ZACQAIPSSA-N	1	0	363.502	1.512	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C(=O)NC)C(C)C)cc1	ZINC000489164203	859319001	/nfs/dbraw/zinc/31/90/01/859319001.db2.gz	FIDZXGNLZKOMQS-SFHVURJKSA-N	1	0	360.458	1.692	20	30		FDEDRO
CC(C)[NH+]1CCN(CCC(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)CC1	ZINC000912296768	859570848	/nfs/dbraw/zinc/57/08/48/859570848.db2.gz	VWFGBFZCFAOCEO-NRFANRHFSA-N	1	0	369.513	1.881	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1	ZINC000912297372	859571560	/nfs/dbraw/zinc/57/15/60/859571560.db2.gz	ZDBFGJMPSBCESU-CALCHBBNSA-N	1	0	355.438	1.138	20	30		FDEDRO
C[Si](C)(C)C#CCCNC(=O)CC[NH+]1CCN(c2ccccn2)CC1	ZINC000912332207	859585218	/nfs/dbraw/zinc/58/52/18/859585218.db2.gz	JKCLJFLYUMNGKB-UHFFFAOYSA-N	1	0	358.562	1.981	20	30		FDEDRO
C#CCN(C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)C1CSC1	ZINC000912361962	859674163	/nfs/dbraw/zinc/67/41/63/859674163.db2.gz	LXUSHPQMDBOFCL-CQSZACIVSA-N	1	0	355.504	1.409	20	30		FDEDRO
CC(=O)N1CCN(CCNC(NCCc2ccccc2)=[NH+]C(C)(C)C)CC1	ZINC000912506102	859831363	/nfs/dbraw/zinc/83/13/63/859831363.db2.gz	JFDYOQWHQMESHG-UHFFFAOYSA-N	1	0	373.545	1.727	20	30		FDEDRO
C=CC[NH+]=C(NCc1ccc(O)cc1)N1CCN(C[C@H]2CCOC2)CC1	ZINC000912517983	859841958	/nfs/dbraw/zinc/84/19/58/859841958.db2.gz	IUWZTJSRABKKTC-GOSISDBHSA-N	1	0	358.486	1.678	20	30		FDEDRO
CN(CC[N@H+](C)CCO)C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000912598122	859932937	/nfs/dbraw/zinc/93/29/37/859932937.db2.gz	BVIKYPHZAVXRDK-UHFFFAOYSA-N	1	0	367.490	1.019	20	30		FDEDRO
C=CCn1c(-c2cn(C)nn2)nnc1N1CC[NH+](CCC(C)(C)C)CC1	ZINC000669040698	860938921	/nfs/dbraw/zinc/93/89/21/860938921.db2.gz	YTQOFKLDNLJDBA-UHFFFAOYSA-N	1	0	358.494	1.818	20	30		FDEDRO
CN1c2ccccc2N(C)C1=C1C(=N)N(C[C@@H](C2CC2)[NH+](C)C)CC1=O	ZINC000153983235	881606421	/nfs/dbraw/zinc/60/64/21/881606421.db2.gz	YDVBPHZERMAFKX-INIZCTEOSA-N	1	0	353.470	1.986	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)CSC)C[C@H]2C)c1	ZINC001105799539	863242606	/nfs/dbraw/zinc/24/26/06/863242606.db2.gz	KPUZDASDXAOZAR-GDBMZVCRSA-N	1	0	359.495	1.654	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cncc(C)c2)C1	ZINC001112101193	863278568	/nfs/dbraw/zinc/27/85/68/863278568.db2.gz	BZWUGFUIRXQNDC-HZPDHXFCSA-N	1	0	369.387	1.909	20	30		FDEDRO
CCO[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC#CCOC)C1)C(C)C	ZINC001112101201	863280232	/nfs/dbraw/zinc/28/02/32/863280232.db2.gz	CGRCZBPICVUXHQ-RBSFLKMASA-N	1	0	364.408	1.676	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C)no2)C[C@H]1C	ZINC001105815509	863353523	/nfs/dbraw/zinc/35/35/23/863353523.db2.gz	OVWVTQSNXJWURD-UKRRQHHQSA-N	1	0	361.446	1.043	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]Cc1nc(C2CCC2)no1	ZINC001105848098	863492488	/nfs/dbraw/zinc/49/24/88/863492488.db2.gz	OJAAYUDLWUKBRU-TZMCWYRMSA-N	1	0	363.487	1.778	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2scnc2C)C[C@H]1C	ZINC001105858488	863518656	/nfs/dbraw/zinc/51/86/56/863518656.db2.gz	IIVIBLFPVVQNLB-KWCYVHTRSA-N	1	0	350.488	1.440	20	30		FDEDRO
CCO[C@H](CNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)C[NH+](C)C	ZINC000916469591	881673492	/nfs/dbraw/zinc/67/34/92/881673492.db2.gz	PBBXOEPGUKDCMV-QGZVFWFLSA-N	1	0	374.489	1.188	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccon2)C[C@H]1C	ZINC001105875772	863595004	/nfs/dbraw/zinc/59/50/04/863595004.db2.gz	CSTSTHUULLEJAA-OWCLPIDISA-N	1	0	362.474	1.785	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CCCN2CCCC2=O)[C@H](C)C1	ZINC001105908913	863910324	/nfs/dbraw/zinc/91/03/24/863910324.db2.gz	CFQVRCDXWQZIPO-FGTMMUONSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CCNC(=O)C2CC2)[C@H](C)C1	ZINC001105909513	863912959	/nfs/dbraw/zinc/91/29/59/863912959.db2.gz	HRSDFQWKWRYLSQ-HLLBOEOZSA-N	1	0	351.491	1.178	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC2CN(Cc3cc(C#N)ccc3OC)C2)CC[N@@H+]1C	ZINC001030339095	863926727	/nfs/dbraw/zinc/92/67/27/863926727.db2.gz	GIHIYKSUCLKIOY-ZWKOTPCHSA-N	1	0	356.470	1.598	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1	ZINC000761046316	863928001	/nfs/dbraw/zinc/92/80/01/863928001.db2.gz	DWNWPRBMBAMQTB-OAHLLOKOSA-N	1	0	374.416	1.753	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+]CCCS(=O)(=O)CCOC)[C@H](C)C1	ZINC001105929336	864063615	/nfs/dbraw/zinc/06/36/15/864063615.db2.gz	LKYZYAGFTJMOOE-HZPDHXFCSA-N	1	0	360.520	1.088	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1C(F)(F)F	ZINC001112117008	864105890	/nfs/dbraw/zinc/10/58/90/864105890.db2.gz	MRWPITULHFGEJY-DGAVXFQQSA-N	1	0	350.381	1.735	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)CCc2ccccc2)[C@H](C)C1	ZINC001105941855	864151804	/nfs/dbraw/zinc/15/18/04/864151804.db2.gz	NLRYFLQPWQDSJY-RLLQIKCJSA-N	1	0	360.498	1.867	20	30		FDEDRO
CC(C)CN(C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C)C(C)C	ZINC001105946295	864190538	/nfs/dbraw/zinc/19/05/38/864190538.db2.gz	PPKFCDILAYCVBV-GVDBMIGSSA-N	1	0	350.507	1.723	20	30		FDEDRO
COc1ccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)cc1	ZINC001105946653	864191474	/nfs/dbraw/zinc/19/14/74/864191474.db2.gz	XRIGNQOJZAOOMX-RRFJBIMHSA-N	1	0	358.442	1.477	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]CCOC[C@@H]2CCCO2)[C@H](C)C1	ZINC001105982712	864335922	/nfs/dbraw/zinc/33/59/22/864335922.db2.gz	UVTCFSZCLUJKPP-QRVBRYPASA-N	1	0	368.518	1.849	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NCC(C)C)[C@H](C)C1	ZINC001105984443	864341781	/nfs/dbraw/zinc/34/17/81/864341781.db2.gz	KCGPTLBGXNATDZ-KZNAEPCWSA-N	1	0	367.534	1.814	20	30		FDEDRO
CCCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC001105989141	864381779	/nfs/dbraw/zinc/38/17/79/864381779.db2.gz	QBWZREMWESPOSG-IJEWVQPXSA-N	1	0	359.474	1.489	20	30		FDEDRO
C/C=C(/C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#Cc2ccccc2)[C@H](C)C1	ZINC001105993297	864421122	/nfs/dbraw/zinc/42/11/22/864421122.db2.gz	JBDDZTZFLPCXSA-FLFOHNBESA-N	1	0	367.493	1.805	20	30		FDEDRO
Cc1cc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)n1	ZINC001106015609	864654480	/nfs/dbraw/zinc/65/44/80/864654480.db2.gz	ILZDNQAIXIOGDE-CZUORRHYSA-N	1	0	354.458	1.698	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088863008	864853642	/nfs/dbraw/zinc/85/36/42/864853642.db2.gz	FXKCFJHVKMICGL-DOMZBBRYSA-N	1	0	351.410	1.378	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2cc(OC)no2)C[C@H]1C	ZINC001106028177	864866554	/nfs/dbraw/zinc/86/65/54/864866554.db2.gz	QSSFRJVHIXGBOV-MWLCHTKSSA-N	1	0	358.236	1.890	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2cccc(OC)c2)[C@H](C)C1	ZINC001106035827	864912549	/nfs/dbraw/zinc/91/25/49/864912549.db2.gz	YUBFMLWRFWDXHF-SOLBZPMBSA-N	1	0	371.481	1.580	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]CC[C@@H]2CCCC2(F)F)[C@H](C)C1	ZINC001106035841	864915167	/nfs/dbraw/zinc/91/51/67/864915167.db2.gz	ZWUQHKISYHTWLF-OAGGEKHMSA-N	1	0	369.456	1.636	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106033031	864919849	/nfs/dbraw/zinc/91/98/49/864919849.db2.gz	ZQBFWDSRFMPENM-GDBMZVCRSA-N	1	0	369.444	1.491	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106874870	881862201	/nfs/dbraw/zinc/86/22/01/881862201.db2.gz	VZTUEGVIYUPEQM-IEBWSBKVSA-N	1	0	350.466	1.698	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](CCn2cccn2)[C@@H]1C	ZINC001088989830	865945855	/nfs/dbraw/zinc/94/58/55/865945855.db2.gz	QZAKMQGVRKRCHU-WBVHZDCISA-N	1	0	353.426	1.183	20	30		FDEDRO
O=C(N[C@@H]1CN(CC#Cc2cccc(Cl)c2)C[C@@H]1O)[C@@H]1C[C@H]1C1CC1	ZINC001083849754	881944132	/nfs/dbraw/zinc/94/41/32/881944132.db2.gz	XCRVFMNWCXQRDQ-MANSERQUSA-N	1	0	358.869	1.899	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=O)Nc2ccn(CC[NH+](C)C)n2)c1	ZINC000173947897	866166129	/nfs/dbraw/zinc/16/61/29/866166129.db2.gz	ADGTVBKECOSHHW-UHFFFAOYSA-N	1	0	354.414	1.186	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001089041845	866248351	/nfs/dbraw/zinc/24/83/51/866248351.db2.gz	SMFMLAPJKRFIDO-WBMJQRKESA-N	1	0	351.410	1.378	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2C)C[C@H]1OC	ZINC001212194773	866267411	/nfs/dbraw/zinc/26/74/11/866267411.db2.gz	WSHFMTWROGVZDX-YVWKXTFCSA-N	1	0	362.470	1.516	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3cnc(C)nc3)[C@@H]2C)CC1	ZINC001089059628	866387095	/nfs/dbraw/zinc/38/70/95/866387095.db2.gz	UTDZJVDJRJDIHD-BEFAXECRSA-N	1	0	355.486	1.209	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3ncc(CC)o3)[C@@H]2C)CC1	ZINC001089059961	866390131	/nfs/dbraw/zinc/39/01/31/866390131.db2.gz	KWMWSEKUBPLFOF-QAPCUYQASA-N	1	0	358.486	1.661	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)Cn2ccnc2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001089073824	866523903	/nfs/dbraw/zinc/52/39/03/866523903.db2.gz	BWHZGLDNWGAKEC-QAPCUYQASA-N	1	0	353.426	1.565	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(C(N)=O)cn2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001089072434	866539276	/nfs/dbraw/zinc/53/92/76/866539276.db2.gz	CURQCEGHLLEYLG-DYVFJYSZSA-N	1	0	363.421	1.445	20	30		FDEDRO
C=CCOCC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1	ZINC000456319703	866830620	/nfs/dbraw/zinc/83/06/20/866830620.db2.gz	OATUUGZNRZAXDA-UHFFFAOYSA-N	1	0	373.497	1.677	20	30		FDEDRO
Cc1cc(C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)ncc1C#N	ZINC000457509278	867520441	/nfs/dbraw/zinc/52/04/41/867520441.db2.gz	RHCXWMVRKAKJRQ-CALCHBBNSA-N	1	0	355.486	1.892	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2	ZINC000994311046	882108714	/nfs/dbraw/zinc/10/87/14/882108714.db2.gz	KKZXIXPFFYFZBH-HUUCEWRRSA-N	1	0	369.469	1.339	20	30		FDEDRO
COc1cc(CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)ccc1C#N	ZINC000462476352	867994146	/nfs/dbraw/zinc/99/41/46/867994146.db2.gz	TXLUMEVMVYIBQR-CQSZACIVSA-N	1	0	360.458	1.553	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2cccnc2)[C@H](C)C1	ZINC001106099032	868042290	/nfs/dbraw/zinc/04/22/90/868042290.db2.gz	XLTUGSZPZQJBGH-SJLPKXTDSA-N	1	0	356.470	1.041	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C)C(=O)Nc1nccs1	ZINC001106101353	868095379	/nfs/dbraw/zinc/09/53/79/868095379.db2.gz	UQXYPQPQGIREQO-VNHYZAJKSA-N	1	0	360.483	1.568	20	30		FDEDRO
COc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2C)c1	ZINC001106104915	868134768	/nfs/dbraw/zinc/13/47/68/868134768.db2.gz	IJPZNVZXYXALGC-IAGOWNOFSA-N	1	0	371.481	1.977	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1	ZINC000730285248	868208013	/nfs/dbraw/zinc/20/80/13/868208013.db2.gz	JVWOYJPSMAEIDW-FQEVSTJZSA-N	1	0	355.482	1.357	20	30		FDEDRO
CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C	ZINC001106109072	868298714	/nfs/dbraw/zinc/29/87/14/868298714.db2.gz	CXXGBHKCWVAHGY-HZPDHXFCSA-N	1	0	350.507	1.428	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C[NH2+]CC(=O)NC[C@@H]1CCCO1	ZINC001106109592	868299596	/nfs/dbraw/zinc/29/95/96/868299596.db2.gz	OLZPHPKNDCZDSH-ZACQAIPSSA-N	1	0	363.502	1.015	20	30		FDEDRO
N#Cc1ccccc1C[N@@H+]1CC[C@@]2(NC(=O)[C@H]3C[C@H]3C(N)=O)CCC[C@H]12	ZINC000992204625	868333529	/nfs/dbraw/zinc/33/35/29/868333529.db2.gz	DQJOINYMWAMZSS-YLAKUSLOSA-N	1	0	352.438	1.293	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OCC#N)cc2)[C@H](C)C1	ZINC001106111693	868396850	/nfs/dbraw/zinc/39/68/50/868396850.db2.gz	PLJLEGGSUGMTEG-ZHALLVOQSA-N	1	0	369.465	1.811	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2c(C)nn(C)c2Cl)[C@H](C)C1	ZINC001106115396	868523272	/nfs/dbraw/zinc/52/32/72/868523272.db2.gz	UVZWETJYDGAICE-UKRRQHHQSA-N	1	0	366.893	1.606	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]C[C@@H](OC)C2CCCC2)[C@H](C)C1	ZINC001106117119	868580560	/nfs/dbraw/zinc/58/05/60/868580560.db2.gz	GOAWWBUNIBFVEY-BHIYHBOVSA-N	1	0	350.503	1.916	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)Cc3ccccc3)C[C@@H]2O)cc1	ZINC001083691302	869089044	/nfs/dbraw/zinc/08/90/44/869089044.db2.gz	ISOGGKMABVHGMG-HBMCJLEFSA-N	1	0	364.445	1.046	20	30		FDEDRO
C=C[C@H](C)NC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(CC)CC2)cc1	ZINC000465333770	869206208	/nfs/dbraw/zinc/20/62/08/869206208.db2.gz	FZUWFGWNEQHWTF-HNNXBMFYSA-N	1	0	372.469	1.022	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)CSCC(=O)Nc2ccc(C)cc2)C1	ZINC000923596417	869527573	/nfs/dbraw/zinc/52/75/73/869527573.db2.gz	GFGAIYKRJCTHAN-QGZVFWFLSA-N	1	0	359.495	1.881	20	30		FDEDRO
CN1CC[N@H+](C)CC(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)C1	ZINC000913782322	869621668	/nfs/dbraw/zinc/62/16/68/869621668.db2.gz	QCXXJKOXFQMSJK-HNNXBMFYSA-N	1	0	354.376	1.771	20	30		FDEDRO
C[C@@H]1CN(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C[C@@H](C)N1CC#N	ZINC000913889493	869913060	/nfs/dbraw/zinc/91/30/60/869913060.db2.gz	ZEZNSCXSRJYODU-ZHALLVOQSA-N	1	0	357.502	1.787	20	30		FDEDRO
C#CCN(C(=O)NCCOc1cccc(NC(C)=O)c1)C1CC[NH+](C)CC1	ZINC000916767351	882372819	/nfs/dbraw/zinc/37/28/19/882372819.db2.gz	RMZJNJHDASYWRE-UHFFFAOYSA-N	1	0	372.469	1.763	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)COc2c(C)nn(C)c2C)C[C@H]1C	ZINC001106134467	870201925	/nfs/dbraw/zinc/20/19/25/870201925.db2.gz	XELUDYZKMCOJBO-IAQYHMDHSA-N	1	0	354.882	1.852	20	30		FDEDRO
C#CCN(C(=O)NCc1ccc(C(=O)N(C)C)cc1)C1CC[NH+](C)CC1	ZINC000913989670	870249674	/nfs/dbraw/zinc/24/96/74/870249674.db2.gz	MCCITOACEYKXQH-UHFFFAOYSA-N	1	0	356.470	1.627	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2csc([C@H](C)OC)n2)C[C@H]1C	ZINC001106136133	870379313	/nfs/dbraw/zinc/37/93/13/870379313.db2.gz	SZUHGNYVZFLVHE-QLFBSQMISA-N	1	0	365.499	1.798	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2)C1	ZINC001033431075	882511431	/nfs/dbraw/zinc/51/14/31/882511431.db2.gz	APTVWQWCFQMTNW-KSZLIROESA-N	1	0	357.454	1.409	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)NC(=O)C2CCCC2)C[C@H]1C	ZINC001106167068	871524283	/nfs/dbraw/zinc/52/42/83/871524283.db2.gz	LFNWTFXIZCRFBZ-SOLBZPMBSA-N	1	0	365.518	1.568	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2csc(C)c2C)C[C@H]1C	ZINC001106172901	871591558	/nfs/dbraw/zinc/59/15/58/871591558.db2.gz	VAWZXNGRJHRGCU-IVMMDQJWSA-N	1	0	361.511	1.801	20	30		FDEDRO
CCOCCOC[C@H](O)C[NH2+]Cc1cc(C#N)ccc1Br	ZINC000922054090	871625336	/nfs/dbraw/zinc/62/53/36/871625336.db2.gz	XXCCUHLHUZAOGP-CQSZACIVSA-N	1	0	357.248	1.824	20	30		FDEDRO
COc1cccc(C(=O)N[C@@H]2CN(Cc3ccc(C#N)s3)C[C@@H]2O)c1C	ZINC001083816005	872057119	/nfs/dbraw/zinc/05/71/19/872057119.db2.gz	ZHSXHQYWXZCMEA-SJORKVTESA-N	1	0	371.462	1.912	20	30		FDEDRO
CC(C)(C#N)CS(=O)(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO	ZINC000914299543	872232478	/nfs/dbraw/zinc/23/24/78/872232478.db2.gz	VJCRITOTWYXTTR-IAGOWNOFSA-N	1	0	365.499	1.339	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[NH+]1CCCC1	ZINC001003115880	872596210	/nfs/dbraw/zinc/59/62/10/872596210.db2.gz	HYFGSCSQNQPJTH-DZVNLGKHSA-N	1	0	361.486	1.312	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]2C)cc1	ZINC000994411349	882641147	/nfs/dbraw/zinc/64/11/47/882641147.db2.gz	KSFRGIABSNWEPR-ATZDWAIDSA-N	1	0	355.482	1.832	20	30		FDEDRO
CCCc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)s1	ZINC001106185358	873124246	/nfs/dbraw/zinc/12/42/46/873124246.db2.gz	KVJIRQQTDSSCBD-ZIAGYGMSSA-N	1	0	362.499	1.638	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c(C)cccc2C)C[C@H]1C	ZINC001106187689	873194570	/nfs/dbraw/zinc/19/45/70/873194570.db2.gz	YKGVXYMNTQXQRC-QZTJIDSGSA-N	1	0	355.482	1.279	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2[C@@H]3CCC[C@@H]32)CC1	ZINC001003363732	873218194	/nfs/dbraw/zinc/21/81/94/873218194.db2.gz	SVJQQKJRVKFYKE-NADOGSGZSA-N	1	0	369.509	1.626	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CC(F)(F)F)CC1	ZINC001003363709	873218408	/nfs/dbraw/zinc/21/84/08/873218408.db2.gz	SISQNFNFJGRNEH-KFWWJZLASA-N	1	0	371.403	1.532	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+]CC2CCS(=O)(=O)CC2)[C@H](C)C1	ZINC001106193189	873273646	/nfs/dbraw/zinc/27/36/46/873273646.db2.gz	CCIIGKHCSLNCHM-NVXWUHKLSA-N	1	0	356.532	1.852	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC(C)(C)C)[C@H](C)C1	ZINC001106194538	873280241	/nfs/dbraw/zinc/28/02/41/873280241.db2.gz	SESCYPGNKDZJEH-HUUCEWRRSA-N	1	0	366.506	1.651	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)C[C@H]1C	ZINC001106198513	873602057	/nfs/dbraw/zinc/60/20/57/873602057.db2.gz	DADKJTBSXWOISW-BRWVUGGUSA-N	1	0	351.491	1.132	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](C[NH2+]CCN2CCCC2=O)[C@H](C)C1)OCC	ZINC001106198648	873605954	/nfs/dbraw/zinc/60/59/54/873605954.db2.gz	IKECQHSQNHBOMK-KURKYZTESA-N	1	0	365.518	1.664	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CCNC(=O)c2ccncc2)C[C@H]1C	ZINC001106199794	873646674	/nfs/dbraw/zinc/64/66/74/873646674.db2.gz	BGXKJURWPSSQNQ-CZUORRHYSA-N	1	0	364.877	1.638	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4C)C[C@@]3(C)C2)CC1	ZINC000993017493	873693142	/nfs/dbraw/zinc/69/31/42/873693142.db2.gz	FAVQIKWJURRRDT-LNNXQNCSSA-N	1	0	357.498	1.295	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4CC)C[C@@]3(C)C2)CC1	ZINC000993019671	873709930	/nfs/dbraw/zinc/70/99/30/873709930.db2.gz	MIONRZBTCYZWIK-ITBLURSFSA-N	1	0	371.525	1.685	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C)C1	ZINC000993024240	873733465	/nfs/dbraw/zinc/73/34/65/873733465.db2.gz	JIXPJGIBXYWJPY-LQWHRVPQSA-N	1	0	357.498	1.581	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc3c2OCCO3)C[C@H]1C	ZINC001106211032	873795525	/nfs/dbraw/zinc/79/55/25/873795525.db2.gz	NPCHZRNXPGLLIT-HZPDHXFCSA-N	1	0	358.438	1.405	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@]2(C)C1)[NH+](C)C	ZINC000993035304	873805206	/nfs/dbraw/zinc/80/52/06/873805206.db2.gz	LDASGOZBSVIZSN-LIVBEALHSA-N	1	0	371.485	1.393	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(COC)CCCCC2)C[C@H]1C	ZINC001106216524	873884599	/nfs/dbraw/zinc/88/45/99/873884599.db2.gz	VVMCFTWFTLBIQR-IAGOWNOFSA-N	1	0	365.518	1.570	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](CCn2cc(Cl)cn2)CC1	ZINC001003652957	873928016	/nfs/dbraw/zinc/92/80/16/873928016.db2.gz	UAORKCKDZTTWNB-CVEARBPZSA-N	1	0	352.866	1.708	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCC(F)(F)C2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106226137	873972556	/nfs/dbraw/zinc/97/25/56/873972556.db2.gz	RMLLNVFMRGOYDZ-MGPQQGTHSA-N	1	0	356.417	1.136	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3ncccn3)[C@H](C)C2)CCOCC1	ZINC001106232576	874035853	/nfs/dbraw/zinc/03/58/53/874035853.db2.gz	DCIOVIWYZOLDDF-IAGOWNOFSA-N	1	0	356.470	1.481	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3cc(C)no3)[C@H](C)C2)CCOCC1	ZINC001106232732	874037802	/nfs/dbraw/zinc/03/78/02/874037802.db2.gz	HPSJZKPQJCCQDN-NVXWUHKLSA-N	1	0	359.470	1.987	20	30		FDEDRO
C=CCn1cccc1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2	ZINC001003750284	874141191	/nfs/dbraw/zinc/14/11/91/874141191.db2.gz	ZVKITESJJVRZRE-KURKYZTESA-N	1	0	370.497	1.878	20	30		FDEDRO
C[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@]3(C)C2)CC1	ZINC000993076171	874203699	/nfs/dbraw/zinc/20/36/99/874203699.db2.gz	FTNTZVUVMBNNND-OXJNMPFZSA-N	1	0	369.469	1.149	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2cncs2)C[C@H]1C	ZINC001106286631	874480655	/nfs/dbraw/zinc/48/06/55/874480655.db2.gz	LHBTYVZIYWZAAY-MGPQQGTHSA-N	1	0	350.488	1.060	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cccc(C)n2)[C@@H](n2ccnn2)C1	ZINC001128710932	882835388	/nfs/dbraw/zinc/83/53/88/882835388.db2.gz	SDAMBTRJQLMRMF-JQHSSLGASA-N	1	0	354.458	1.992	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C2CCC2)C[C@H]1C	ZINC001106305642	874666864	/nfs/dbraw/zinc/66/68/64/874666864.db2.gz	DXSAIGCCFCPNTM-IJEWVQPXSA-N	1	0	364.490	1.119	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccccc2CC)C[C@H]1C	ZINC001106305670	874668089	/nfs/dbraw/zinc/66/80/89/874668089.db2.gz	FPKYZIXQCKFIAX-FUHIMQAGSA-N	1	0	369.509	1.614	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C(F)F)ncn2)C[C@H]1C	ZINC001106316270	874759381	/nfs/dbraw/zinc/75/93/81/874759381.db2.gz	MOEXARNUHXOGMI-VXGBXAGGSA-N	1	0	367.400	1.014	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cc(C(F)F)ncn2)C[C@H]1C	ZINC001106316164	874759401	/nfs/dbraw/zinc/75/94/01/874759401.db2.gz	HBKYWYLSWOAFIW-CHWSQXEVSA-N	1	0	354.401	1.915	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](CC)C(N)=O)[C@H](C)C2)cc1	ZINC001106330907	874802184	/nfs/dbraw/zinc/80/21/84/874802184.db2.gz	HHYVTKIRENXQDU-QGPMSJSTSA-N	1	0	359.470	1.813	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)NC)[C@H](C)C2)cc1	ZINC001106330774	874802547	/nfs/dbraw/zinc/80/25/47/874802547.db2.gz	DUMCMTCMOBDHQJ-HLLBOEOZSA-N	1	0	359.470	1.684	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001106356669	874891455	/nfs/dbraw/zinc/89/14/55/874891455.db2.gz	IIWZQRFPHVCEHF-GHMZBOCLSA-N	1	0	370.425	1.185	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(n2)OCCO3)C[C@H]1C	ZINC001106372603	874949483	/nfs/dbraw/zinc/94/94/83/874949483.db2.gz	AUJIRAAGEPPWDU-HUUCEWRRSA-N	1	0	361.442	1.353	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2n[nH]c3ccc(C)cc32)C[C@H]1C	ZINC001106370813	874958872	/nfs/dbraw/zinc/95/88/72/874958872.db2.gz	BHTPAVXPEDLHDT-HUUCEWRRSA-N	1	0	369.469	1.471	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccnc2C2CC2)C[C@H]1C	ZINC001106374021	874962166	/nfs/dbraw/zinc/96/21/66/874962166.db2.gz	YXCSLLXAIVXBDW-GDBMZVCRSA-N	1	0	354.454	1.006	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccnc(C3CC3)c2)C[C@H]1C	ZINC001106379970	874996778	/nfs/dbraw/zinc/99/67/78/874996778.db2.gz	PXPKNZZHTHIMDN-RHSMWYFYSA-N	1	0	356.470	1.559	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C)c(F)c2)C[C@H]1C	ZINC001106394609	875084858	/nfs/dbraw/zinc/08/48/58/875084858.db2.gz	DFDUODSSJLLYTQ-BFYDXBDKSA-N	1	0	359.445	1.570	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CCc2cncc(OC)c2)C[C@H]1C	ZINC001106400373	875100991	/nfs/dbraw/zinc/10/09/91/875100991.db2.gz	LQMBQGFSDKFTHK-SJLPKXTDSA-N	1	0	361.486	1.910	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@]3(C)C2)C1	ZINC000993158002	875101037	/nfs/dbraw/zinc/10/10/37/875101037.db2.gz	VPWJQWMUHOPICN-UZLBHIALSA-N	1	0	357.498	1.745	20	30		FDEDRO
Cc1cc(F)c(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)c(F)c1	ZINC001106403872	875133853	/nfs/dbraw/zinc/13/38/53/875133853.db2.gz	SOGKDEIXLVCWDY-CHWSQXEVSA-N	1	0	364.396	1.211	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc3[nH]ccc3n2)C[C@H]1C	ZINC001106419460	875204677	/nfs/dbraw/zinc/20/46/77/875204677.db2.gz	LVWIXQOHENOEEE-QLFBSQMISA-N	1	0	369.469	1.551	20	30		FDEDRO
Cc1cncn1CC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1	ZINC001106432563	875268603	/nfs/dbraw/zinc/26/86/03/875268603.db2.gz	XTFLFZRUUMZIRF-YLJYHZDGSA-N	1	0	350.466	1.927	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C)c(C)n2)C[C@H]1C	ZINC001106433161	875295639	/nfs/dbraw/zinc/29/56/39/875295639.db2.gz	CVYILYYPDOYTQT-DJIMGWMZSA-N	1	0	356.470	1.134	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C)c(C)n2)C[C@H]1C	ZINC001106433162	875295795	/nfs/dbraw/zinc/29/57/95/875295795.db2.gz	CVYILYYPDOYTQT-HYVNUMGLSA-N	1	0	356.470	1.134	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccn3nnnc13)C2	ZINC001112368918	875300124	/nfs/dbraw/zinc/30/01/24/875300124.db2.gz	BLAHQJBCGAPZND-KXBFYZLASA-N	1	0	354.458	1.922	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cc3c(=O)[nH]c(C)cn3n2)C[C@H]1C	ZINC001106477888	875585096	/nfs/dbraw/zinc/58/50/96/875585096.db2.gz	SGPYUESGYLHREZ-ZWNOBZJWSA-N	1	0	363.849	1.381	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]Cc2cn(CC)nn2)[C@H](C)C1	ZINC001106486530	875642464	/nfs/dbraw/zinc/64/24/64/875642464.db2.gz	WNMUQBZUTWWHNS-GPMSIDNRSA-N	1	0	363.506	1.711	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(C)C)[C@H](C)C1	ZINC001106486550	875642573	/nfs/dbraw/zinc/64/25/73/875642573.db2.gz	XKWYZGFOJHEVEH-MBOZVWFJSA-N	1	0	367.534	1.672	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N(CC)CC)[C@H](C)C2)cc1	ZINC001106512870	875801591	/nfs/dbraw/zinc/80/15/91/875801591.db2.gz	WBILZDVHVHASJD-VQIMIIECSA-N	1	0	355.482	1.834	20	30		FDEDRO
C[C@@H](CC(N)=O)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)[C@H](C)C1	ZINC001106522104	875825832	/nfs/dbraw/zinc/82/58/32/875825832.db2.gz	CZMQCEZYNIRWRO-WOSRLPQWSA-N	1	0	360.433	1.393	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106555273	875943039	/nfs/dbraw/zinc/94/30/39/875943039.db2.gz	ZHAUZJRKZHAWEJ-BHIYHBOVSA-N	1	0	353.466	1.201	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cc(C)no2)[C@H](C)C1	ZINC001106558111	875950785	/nfs/dbraw/zinc/95/07/85/875950785.db2.gz	OXOVXICUKAPXGL-GDBMZVCRSA-N	1	0	360.458	1.799	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(F)(F)F)[C@H](C)C1	ZINC001106558354	875951572	/nfs/dbraw/zinc/95/15/72/875951572.db2.gz	VUCBWMKKLUZWBK-BFHYXJOUSA-N	1	0	363.424	1.951	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](C[NH2+]CCNS(=O)(=O)CC)[C@H](C)C1	ZINC001106563938	875962896	/nfs/dbraw/zinc/96/28/96/875962896.db2.gz	NGZALAWYSKDMJD-ARFHVFGLSA-N	1	0	359.536	1.212	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CCCO2)C[C@H]1C	ZINC001106572905	875989533	/nfs/dbraw/zinc/98/95/33/875989533.db2.gz	JHTDZCVJZFHWTB-INMHGKMJSA-N	1	0	360.458	1.209	20	30		FDEDRO
CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)c1ccncc1	ZINC001106581951	876028928	/nfs/dbraw/zinc/02/89/28/876028928.db2.gz	RISHSUSVXGCLDM-SUMDDJOVSA-N	1	0	371.485	1.145	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3cccnc32)C[C@H]1C	ZINC001106588131	876042114	/nfs/dbraw/zinc/04/21/14/876042114.db2.gz	GTUNINNCAOOCMF-DJIMGWMZSA-N	1	0	356.470	1.098	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)COC2CCOCC2)[C@H](C)C1	ZINC001106612806	876175062	/nfs/dbraw/zinc/17/50/62/876175062.db2.gz	OEMUQBQXRFNSPW-KURKYZTESA-N	1	0	368.518	1.583	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCOCC2)[C@H](C)C1	ZINC001106629886	876261888	/nfs/dbraw/zinc/26/18/88/876261888.db2.gz	VYRDPHQSVSOBKG-GPMSIDNRSA-N	1	0	351.491	1.132	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2occc2Cl)C[C@H]1C	ZINC001106634956	876297656	/nfs/dbraw/zinc/29/76/56/876297656.db2.gz	RBRBFMNZJOLTIB-FRRDWIJNSA-N	1	0	351.834	1.369	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1C	ZINC001106639164	876304445	/nfs/dbraw/zinc/30/44/45/876304445.db2.gz	NHNUVBCBBBWZLM-ZIAGYGMSSA-N	1	0	363.437	1.047	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)NCCCOC)[C@H](C)C2)C1	ZINC001106648537	876367534	/nfs/dbraw/zinc/36/75/34/876367534.db2.gz	JDAMTXARWXGTCU-IXDOHACOSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCCCOC)[C@H](C)C2)C1	ZINC001106647066	876380374	/nfs/dbraw/zinc/38/03/74/876380374.db2.gz	GPBWGMQXVSZJNB-HZPDHXFCSA-N	1	0	351.491	1.180	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(CF)CC2)C[C@H]1C	ZINC001106653973	876400461	/nfs/dbraw/zinc/40/04/61/876400461.db2.gz	NHEOSXAEOPBRIY-HZPDHXFCSA-N	1	0	351.466	1.621	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1C	ZINC001106661735	876463092	/nfs/dbraw/zinc/46/30/92/876463092.db2.gz	QPCIPJFDVXLIFO-IXPVHAAZSA-N	1	0	358.280	1.105	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC(F)(F)C(F)F)C[C@H]1C	ZINC001106670778	876492268	/nfs/dbraw/zinc/49/22/68/876492268.db2.gz	OCJJZXSRWAHENZ-IJLUTSLNSA-N	1	0	365.371	1.099	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C3CC3)nc2C)C[C@H]1C	ZINC001106676293	876540041	/nfs/dbraw/zinc/54/00/41/876540041.db2.gz	IXRMUEBZJOWFBE-RHSMWYFYSA-N	1	0	368.481	1.315	20	30		FDEDRO
Cc1nc(C2CC2)ccc1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106676253	876540163	/nfs/dbraw/zinc/54/01/63/876540163.db2.gz	GYVCZWLUMACCAS-CZUORRHYSA-N	1	0	369.469	1.205	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C)O2)C[C@H]1C	ZINC001106683039	876555176	/nfs/dbraw/zinc/55/51/76/876555176.db2.gz	ILFXJKSAZLEKFF-QBPKDAKJSA-N	1	0	364.490	1.000	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)CCO3)C[C@H]1C	ZINC001106690296	876582333	/nfs/dbraw/zinc/58/23/33/876582333.db2.gz	XRCJIGPHKPXRBK-IIDMSEBBSA-N	1	0	369.465	1.057	20	30		FDEDRO
CC[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1	ZINC001106690607	876583777	/nfs/dbraw/zinc/58/37/77/876583777.db2.gz	KEGKPGZTGRPBMG-NIKGAXFTSA-N	1	0	356.470	1.657	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCC(C)C)C[C@H]1C	ZINC001106691402	876590292	/nfs/dbraw/zinc/59/02/92/876590292.db2.gz	NFJUZCHTSJUFHD-HZPDHXFCSA-N	1	0	366.506	1.509	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)[C@H]4C[C@@H]4C)C[C@]3(C)C2)CC1	ZINC000993255785	876716881	/nfs/dbraw/zinc/71/68/81/876716881.db2.gz	FAVQIKWJURRRDT-DKXUYOFUSA-N	1	0	357.498	1.295	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cnccn2)[C@H](C)C1	ZINC001106709114	876919270	/nfs/dbraw/zinc/91/92/70/876919270.db2.gz	VNICGPNZPSUHQK-HUUCEWRRSA-N	1	0	359.474	1.702	20	30		FDEDRO
Cc1ccnn1CC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1	ZINC001106713488	876922386	/nfs/dbraw/zinc/92/23/86/876922386.db2.gz	HGZKUMFHMBAVTA-YLJYHZDGSA-N	1	0	350.466	1.927	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)N(CC)CC)C[C@H]1C	ZINC001106721395	876960281	/nfs/dbraw/zinc/96/02/81/876960281.db2.gz	FEGVZQUUAHMUBN-HZPDHXFCSA-N	1	0	359.536	1.308	20	30		FDEDRO
C[C@@H]1CN(C(=O)COC[C@H]2CCOC2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106724257	876974851	/nfs/dbraw/zinc/97/48/51/876974851.db2.gz	GMIDGZZWBAVGRL-HLAWJBBLSA-N	1	0	370.493	1.775	20	30		FDEDRO
C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000670219929	877159127	/nfs/dbraw/zinc/15/91/27/877159127.db2.gz	OKCRUBFOKXQPHU-QGZVFWFLSA-N	1	0	371.489	1.556	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)CC1	ZINC000917137689	883111511	/nfs/dbraw/zinc/11/15/11/883111511.db2.gz	UYNMCGPMOARBTJ-KBXCAEBGSA-N	1	0	350.463	1.557	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccsc2C)C[C@H]1C	ZINC001106733790	877275581	/nfs/dbraw/zinc/27/55/81/877275581.db2.gz	HFETVYMJUWEDAR-CKEIUWERSA-N	1	0	363.527	1.974	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccsc2C)C[C@H]1C	ZINC001106733745	877275984	/nfs/dbraw/zinc/27/59/84/877275984.db2.gz	GFHPCQBTBFXANE-CKEIUWERSA-N	1	0	361.511	1.421	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCCC2)C[C@H]1C	ZINC001106756337	877575414	/nfs/dbraw/zinc/57/54/14/877575414.db2.gz	VCRRDYDOAYZYGK-TZMCWYRMSA-N	1	0	362.923	1.780	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cn3nc(C)cc3[nH]c2=O)C[C@H]1C	ZINC001106763313	877619675	/nfs/dbraw/zinc/61/96/75/877619675.db2.gz	BHONTEPGXAQNNJ-IIAWOOMASA-N	1	0	371.485	1.983	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4ccc(F)cc4O3)[C@H]2C1	ZINC001083143451	912257483	/nfs/dbraw/zinc/25/74/83/912257483.db2.gz	IFPQUCVDXCOOIJ-YQVWRLOYSA-N	1	0	358.413	1.454	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2csc(C(C)C)n2)C[C@H]1C	ZINC001106767720	877649799	/nfs/dbraw/zinc/64/97/99/877649799.db2.gz	PLPGCHYDHSICCT-ZIAGYGMSSA-N	1	0	362.499	1.314	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1	ZINC000888282694	877709389	/nfs/dbraw/zinc/70/93/89/877709389.db2.gz	CVMDLEILPDOZAJ-KRWDZBQOSA-N	1	0	351.491	1.742	20	30		FDEDRO
C=CCCn1cc(CNC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)nn1	ZINC000657800480	877846626	/nfs/dbraw/zinc/84/66/26/877846626.db2.gz	FLRWSGSAWRZEPL-HXUWFJFHSA-N	1	0	354.502	1.760	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](OC)c3cccc(OC)c3)[C@H]2C1	ZINC001083153191	912313501	/nfs/dbraw/zinc/31/35/01/912313501.db2.gz	PRFCMKRQLKRPCG-IPMKNSEASA-N	1	0	358.438	1.318	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCC2)C[C@H]1C	ZINC001106818643	878267996	/nfs/dbraw/zinc/26/79/96/878267996.db2.gz	VIDDRJURTZNAEJ-BZUAXINKSA-N	1	0	356.532	1.993	20	30		FDEDRO
C#CCN(C(=O)N[C@H](C)c1noc(COC(C)C)n1)C1CC[NH+](C)CC1	ZINC000922545881	878496424	/nfs/dbraw/zinc/49/64/24/878496424.db2.gz	KLXSJLZZDRFBNY-CQSZACIVSA-N	1	0	363.462	1.795	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1	ZINC000922628090	878847847	/nfs/dbraw/zinc/84/78/47/878847847.db2.gz	BNMVAFNFTAHVEY-KRWDZBQOSA-N	1	0	354.458	1.494	20	30		FDEDRO
C=CCC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CC2	ZINC001128053741	912395736	/nfs/dbraw/zinc/39/57/36/912395736.db2.gz	FTVOQAPVRISURY-FPCVCCKLSA-N	1	0	359.474	1.332	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)cc1	ZINC000922727574	879091817	/nfs/dbraw/zinc/09/18/17/879091817.db2.gz	BTMIEQPILIYWPP-GOSISDBHSA-N	1	0	357.454	1.751	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCO[C@@H](c2ccnn2C)C1)C1CC[NH+](C)CC1	ZINC000922749650	879162256	/nfs/dbraw/zinc/16/22/56/879162256.db2.gz	QLORYVZEGSZBGY-CRAIPNDOSA-N	1	0	359.474	1.379	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnoc2C(C)C)C[C@H]1C	ZINC001106828718	879230097	/nfs/dbraw/zinc/23/00/97/879230097.db2.gz	GCWAGPNMIYABJF-QLFBSQMISA-N	1	0	362.474	1.786	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCc1ccc(C#N)c(F)c1)C2	ZINC000922781216	879257769	/nfs/dbraw/zinc/25/77/69/879257769.db2.gz	INCGSBFEQIWUAJ-MLYOOKFZSA-N	1	0	374.460	1.976	20	30		FDEDRO
COc1cc2cc(C#N)c(NC(=N)N3CC[NH+](C)CC3)nc2cc1OC	ZINC001168735308	879377490	/nfs/dbraw/zinc/37/74/90/879377490.db2.gz	NMOZIWFWSAXBMS-UHFFFAOYSA-N	1	0	354.414	1.718	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3sccc3[nH]2)C[C@H]1C	ZINC001106833683	879746735	/nfs/dbraw/zinc/74/67/35/879746735.db2.gz	OWKGYRYTHYMWLL-CHWSQXEVSA-N	1	0	360.483	1.829	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)c2cc3c[nH]ccc-3n2)C1	ZINC001004523782	879789038	/nfs/dbraw/zinc/78/90/38/879789038.db2.gz	HVNIBNFOCAXHSP-PBHICJAKSA-N	1	0	354.410	1.342	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CCc3ccccc3)C[C@@H]2O)cc1	ZINC001083842504	879894722	/nfs/dbraw/zinc/89/47/22/879894722.db2.gz	PPOIBSLODUDDDG-RTWAWAEBSA-N	1	0	364.445	1.716	20	30		FDEDRO
C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3OCCO[C@@H]3c3ccccc3)CC[C@@H]2C1	ZINC000946631653	879913551	/nfs/dbraw/zinc/91/35/51/879913551.db2.gz	RXESIFVPUCHQIX-PLACYPQZSA-N	1	0	368.477	1.947	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2OC)C1	ZINC000946632769	879919817	/nfs/dbraw/zinc/91/98/17/879919817.db2.gz	PQQVGIYVPSPBJQ-IAGOWNOFSA-N	1	0	363.502	1.417	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC000993881003	879953368	/nfs/dbraw/zinc/95/33/68/879953368.db2.gz	XOPHAKYTGDDFQF-OIISXLGYSA-N	1	0	371.485	1.585	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC2CCC(Nc3nccnc3C#N)CC2)CC[N@@H+]1C	ZINC001060629730	880281060	/nfs/dbraw/zinc/28/10/60/880281060.db2.gz	DHHVAQRNSHELQC-UMPYDWHISA-N	1	0	356.474	1.918	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC2CCC(Nc3ccnc(C#N)n3)CC2)CC[N@@H+]1C	ZINC001060630001	880290126	/nfs/dbraw/zinc/29/01/26/880290126.db2.gz	UAWHKLSFQBSRPY-SSHXOBKSSA-N	1	0	356.474	1.340	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H](C)C2)c1	ZINC000994085923	880631168	/nfs/dbraw/zinc/63/11/68/880631168.db2.gz	UTOYSABYGXRXEK-OHDICMOHSA-N	1	0	368.481	1.227	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)CCN3C)C[C@H]1C	ZINC001106842699	880671136	/nfs/dbraw/zinc/67/11/36/880671136.db2.gz	YDOZOGLWQULXDQ-CRAIPNDOSA-N	1	0	370.497	1.279	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)/C=C(/C)C3CC3)C[C@H]2C)CC1	ZINC000994138091	880901136	/nfs/dbraw/zinc/90/11/36/880901136.db2.gz	YSHQPNLWSAHERO-BGHSRAONSA-N	1	0	371.525	1.899	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC000994138306	880901244	/nfs/dbraw/zinc/90/12/44/880901244.db2.gz	CGKFHAUSGBKWHI-QGPMSJSTSA-N	1	0	371.485	1.585	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)/C=C\c2ccc[nH]2)C[C@H]1C	ZINC000994195645	880989160	/nfs/dbraw/zinc/98/91/60/880989160.db2.gz	ZZDLFJGDZBDONS-GHWLZIDUSA-N	1	0	368.481	1.336	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2cnccc2C)C[C@H]1C	ZINC000994195580	880989419	/nfs/dbraw/zinc/98/94/19/880989419.db2.gz	ZJFCBLFLPQRIEF-LMMKCTJWSA-N	1	0	368.481	1.312	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN([C@@H]3CCN(C4CCC4)C3=O)C[C@@H]2O)CC1	ZINC001083754636	883138269	/nfs/dbraw/zinc/13/82/69/883138269.db2.gz	CABIVQFGLSMTND-KURKYZTESA-N	1	0	361.486	1.048	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC[NH+](CCc2cnn(C)c2)CC1	ZINC001005407579	883245284	/nfs/dbraw/zinc/24/52/84/883245284.db2.gz	AJOYXTOKZGEHHE-MOPGFXCFSA-N	1	0	360.502	1.867	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ccc(C#N)s2)C1	ZINC000999418850	912706875	/nfs/dbraw/zinc/70/68/75/912706875.db2.gz	UWAQWYWQKFDQDW-TUHYSUIHSA-N	1	0	360.483	1.423	20	30		FDEDRO
C#CCN(C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C(C)C	ZINC000917477247	883450862	/nfs/dbraw/zinc/45/08/62/883450862.db2.gz	NZAGJHIZZWFDTN-LJQANCHMSA-N	1	0	370.497	1.937	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2cccc(F)c2C#N)CC1	ZINC000917536984	883508083	/nfs/dbraw/zinc/50/80/83/883508083.db2.gz	SWIYTDSQAXQWBR-UHFFFAOYSA-N	1	0	355.435	1.211	20	30		FDEDRO
CC#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1	ZINC001033952553	883571780	/nfs/dbraw/zinc/57/17/80/883571780.db2.gz	WEMUVVZZYMLKOK-KSZLIROESA-N	1	0	361.486	1.103	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCOc2ccc(C(=O)OC)cc2)CC1	ZINC000917598029	883577526	/nfs/dbraw/zinc/57/75/26/883577526.db2.gz	DHGKTARJCPSVAQ-UHFFFAOYSA-N	1	0	359.426	1.249	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1	ZINC000917587483	883587531	/nfs/dbraw/zinc/58/75/31/883587531.db2.gz	HIAYOQMFGKVQOF-MRXNPFEDSA-N	1	0	351.491	1.484	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](CCc2ccccc2F)C[C@@H]1n1ccnn1	ZINC001128829065	883751074	/nfs/dbraw/zinc/75/10/74/883751074.db2.gz	AAPCESKYADDZNF-XKQJLSEDSA-N	1	0	356.405	1.161	20	30		FDEDRO
C#CCN(C(=O)NCCCNC(=O)c1cccc(F)c1)C1CC[NH+](C)CC1	ZINC000917882484	883900244	/nfs/dbraw/zinc/90/02/44/883900244.db2.gz	VYFILKKRDKZPHR-UHFFFAOYSA-N	1	0	374.460	1.685	20	30		FDEDRO
CCC/C=C\CC[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](n2ccnn2)C1	ZINC001128878387	883918331	/nfs/dbraw/zinc/91/83/31/883918331.db2.gz	RCWZOGQXAPIMHZ-KKSLTYSGSA-N	1	0	367.457	1.880	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](n2ccnn2)C1	ZINC001128903337	884021641	/nfs/dbraw/zinc/02/16/41/884021641.db2.gz	NDFGYISSVBMUJY-XYPHTWIQSA-N	1	0	353.430	1.488	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2cnnn2C)[C@@H](n2ccnn2)C1	ZINC001128939366	884197596	/nfs/dbraw/zinc/19/75/96/884197596.db2.gz	NGSCNNNLOMZCOG-ZBFHGGJFSA-N	1	0	360.466	1.032	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)c1	ZINC000994565159	884262377	/nfs/dbraw/zinc/26/23/77/884262377.db2.gz	AAQWUZCHCVULKC-DNVCBOLYSA-N	1	0	368.481	1.229	20	30		FDEDRO
C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1	ZINC001034398388	884295283	/nfs/dbraw/zinc/29/52/83/884295283.db2.gz	OCEXFEPNGYMATI-OKZBNKHCSA-N	1	0	363.502	1.703	20	30		FDEDRO
CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)C#CC(C)C)[C@@H](n2ccnn2)C1)C1CC1	ZINC001128976091	884544623	/nfs/dbraw/zinc/54/46/23/884544623.db2.gz	JEUDCLKUJRMXOH-SQNIBIBYSA-N	1	0	359.474	1.094	20	30		FDEDRO
CC(C)(C)C#CC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1n1ccnn1	ZINC001128980115	884568595	/nfs/dbraw/zinc/56/85/95/884568595.db2.gz	NZCVKVWDFAWTHB-SJORKVTESA-N	1	0	359.474	1.096	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccccc3C#N)CC2)C1	ZINC001034647363	884611665	/nfs/dbraw/zinc/61/16/65/884611665.db2.gz	NTRRVBCNFOOAIK-UTRMSSBJSA-N	1	0	368.481	1.990	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)CC1	ZINC001078972347	884672068	/nfs/dbraw/zinc/67/20/68/884672068.db2.gz	VIOOIDBJOYEQRM-KURKYZTESA-N	1	0	365.518	1.759	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@@H]1n1ccnn1	ZINC001128988932	884800447	/nfs/dbraw/zinc/80/04/47/884800447.db2.gz	IRGZSXDQVHSSED-QRQLOZEOSA-N	1	0	371.485	1.548	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@@H]1n1ccnn1	ZINC001128989743	884830804	/nfs/dbraw/zinc/83/08/04/884830804.db2.gz	UBYHVWDEJSXRLW-ZACQAIPSSA-N	1	0	361.490	1.484	20	30		FDEDRO
C#CCNC(=O)[C@H](C)SCC[NH+]1CCN(c2cccc(OC)c2)CC1	ZINC000918745446	884905919	/nfs/dbraw/zinc/90/59/19/884905919.db2.gz	LHNXCAYNEXISTH-INIZCTEOSA-N	1	0	361.511	1.688	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cc3n(n2)CCC3)CC1	ZINC001034740284	884935766	/nfs/dbraw/zinc/93/57/66/884935766.db2.gz	HTFHYGNKRAHSDE-RGCFKVTRSA-N	1	0	358.486	1.937	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001128999393	884952676	/nfs/dbraw/zinc/95/26/76/884952676.db2.gz	WJFBZECXANBIJP-MOPGFXCFSA-N	1	0	367.453	1.168	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+]1CCC[C@H]1C	ZINC000784723656	885074859	/nfs/dbraw/zinc/07/48/59/885074859.db2.gz	AFGIACBTHFHRQK-CQSZACIVSA-N	1	0	374.441	1.122	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCOC)C[C@@H]1n1ccnn1	ZINC001129014203	885140757	/nfs/dbraw/zinc/14/07/57/885140757.db2.gz	FAHKQIWSUDOQEL-KGLIPLIRSA-N	1	0	355.870	1.435	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]Cc2ccc(CNC(=O)[C@H]3CC[C@@H](C)O3)cc2)C1=O	ZINC001034825958	885228087	/nfs/dbraw/zinc/22/80/87/885228087.db2.gz	FCKPRHBEJMKQAX-ATZDWAIDSA-N	1	0	371.481	1.747	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCOCC)C[C@@H]1n1ccnn1)OCC	ZINC001129029936	885345186	/nfs/dbraw/zinc/34/51/86/885345186.db2.gz	QEIMDBNBEWOYDH-IXDOHACOSA-N	1	0	365.478	1.027	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C(=O)NC)cc1	ZINC001035053930	885561092	/nfs/dbraw/zinc/56/10/92/885561092.db2.gz	SRSMMBBIMNFBAE-QRVBRYPASA-N	1	0	371.481	1.718	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cnc(C3CC3)o2)[C@@H](n2ccnn2)C1	ZINC001129052753	885580386	/nfs/dbraw/zinc/58/03/86/885580386.db2.gz	KFJTZYYXYMWZGR-CABCVRRESA-N	1	0	356.430	1.765	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[N@@H+](C)CC[C@@H]1C	ZINC000498730813	885641980	/nfs/dbraw/zinc/64/19/80/885641980.db2.gz	ZURSAAJWRCQETM-ZDUSSCGKSA-N	1	0	354.458	1.703	20	30		FDEDRO
CC1(C)C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+](Cc2ccccc2C#N)C1	ZINC001089492540	885642965	/nfs/dbraw/zinc/64/29/65/885642965.db2.gz	KEFOSWBIMXCNSR-KSZLIROESA-N	1	0	368.481	1.786	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2Cl)[C@@H](n2ccnn2)C1	ZINC001129078754	885685200	/nfs/dbraw/zinc/68/52/00/885685200.db2.gz	DWOVAKQBYQKCAC-KGLIPLIRSA-N	1	0	363.853	1.287	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC(C)C)[C@H](C)C2)nc1	ZINC001106894173	885695205	/nfs/dbraw/zinc/69/52/05/885695205.db2.gz	DCTSCGZEUDUKQO-NVXWUHKLSA-N	1	0	356.470	1.133	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc(CC)[nH]c(=O)c2)[C@@H](n2ccnn2)C1	ZINC001129103295	885700528	/nfs/dbraw/zinc/70/05/28/885700528.db2.gz	JTGZZUNWAXDHCX-SJORKVTESA-N	1	0	370.457	1.563	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2ncccc2CC)[C@@H](n2ccnn2)C1	ZINC001129088815	885713988	/nfs/dbraw/zinc/71/39/88/885713988.db2.gz	CTDCFVZKHUXRGH-SJORKVTESA-N	1	0	354.458	1.857	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](CCCC)C(N)=O)[C@H](C)C2)cn1	ZINC001106894640	885764738	/nfs/dbraw/zinc/76/47/38/885764738.db2.gz	PYWBZMHSMKHDBI-QGPMSJSTSA-N	1	0	356.470	1.405	20	30		FDEDRO
C#CCCCCCC(=O)N[C@@H]1C[N@@H+](CCOC(C)C)C[C@@H]1n1ccnn1	ZINC001129154382	885887599	/nfs/dbraw/zinc/88/75/99/885887599.db2.gz	QFZDHGUZTRGSFH-MSOLQXFVSA-N	1	0	361.490	1.628	20	30		FDEDRO
C=CCCN1CCO[C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1	ZINC001035370088	885923880	/nfs/dbraw/zinc/92/38/80/885923880.db2.gz	HCXDLBYIDKZCFK-QRVBRYPASA-N	1	0	365.518	1.126	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)OCC(=O)NC1(C#N)CCC1	ZINC000923846216	885951232	/nfs/dbraw/zinc/95/12/32/885951232.db2.gz	HBZAYYCMALPWFV-WBVHZDCISA-N	1	0	355.438	1.860	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C	ZINC000670608120	886067741	/nfs/dbraw/zinc/06/77/41/886067741.db2.gz	MGFUENAYURSNSA-QYZOEREBSA-N	1	0	373.497	1.373	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnc(C)n2C)[C@@H](n2ccnn2)C1	ZINC001129194404	886174749	/nfs/dbraw/zinc/17/47/49/886174749.db2.gz	CXSYLKZUDHMUMX-UNEWFSDZSA-N	1	0	357.462	1.330	20	30		FDEDRO
C[C@@H](Nc1cnc(C#N)cn1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001061889832	886225612	/nfs/dbraw/zinc/22/56/12/886225612.db2.gz	QNELKHGHYZFLGV-CKEIUWERSA-N	1	0	356.474	1.727	20	30		FDEDRO
C#CCN(C(=O)NCCc1cccc(C(=O)NC)c1)C1CC[NH+](C)CC1	ZINC000919919362	886414167	/nfs/dbraw/zinc/41/41/67/886414167.db2.gz	ZBEQGMWTXJDCEG-UHFFFAOYSA-N	1	0	356.470	1.328	20	30		FDEDRO
C[C@@H](NS(=O)(=O)c1ccc(CCC#N)cc1)[C@@H]1CN(C)CCN1C	ZINC000919975289	886461674	/nfs/dbraw/zinc/46/16/74/886461674.db2.gz	VAMGWENZTJMKOW-PBHICJAKSA-N	1	0	350.488	1.055	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(C[NH+](CCO[C@@H]3CC3(F)F)C2)CC1	ZINC001035801179	886484984	/nfs/dbraw/zinc/48/49/84/886484984.db2.gz	WEZWDGFYGZXBPJ-OWCLPIDISA-N	1	0	370.440	1.926	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](OC)C2CCC2)C[C@@H]1n1ccnn1	ZINC001129210335	886569757	/nfs/dbraw/zinc/56/97/57/886569757.db2.gz	RFBYASSTJDLDMB-SQNIBIBYSA-N	1	0	361.490	1.791	20	30		FDEDRO
CNC(=O)[C@H]1CCC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000499316750	886773183	/nfs/dbraw/zinc/77/31/83/886773183.db2.gz	OAUFZHKPOPRBEI-ZWKOTPCHSA-N	1	0	371.485	1.546	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)c1cccc(C#N)c1)C2	ZINC000920276320	886803672	/nfs/dbraw/zinc/80/36/72/886803672.db2.gz	WEVHCYRIGNCATM-ZJPYXAASSA-N	1	0	363.483	1.316	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)CCC=C)C[C@@H]2n2ccnn2)c1	ZINC001129252544	886881225	/nfs/dbraw/zinc/88/12/25/886881225.db2.gz	BWJIZNSRDLUBAZ-LZQZEXGQSA-N	1	0	364.453	1.664	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCc2cccc(C(=O)N(C)C)c2)CC1	ZINC000920326070	886889848	/nfs/dbraw/zinc/88/98/48/886889848.db2.gz	ZNKNOFUPIZHOMH-UHFFFAOYSA-N	1	0	356.470	1.328	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(c2ccc(N3CC[NH+](CC)CC3)cc2)C1=O	ZINC000804200219	886890790	/nfs/dbraw/zinc/89/07/90/886890790.db2.gz	ANHRUOCVEQLJOU-QGZVFWFLSA-N	1	0	358.442	1.456	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cnc(C#N)cn2)CC[N@@H+]1C	ZINC001062046968	886937315	/nfs/dbraw/zinc/93/73/15/886937315.db2.gz	YPTKWZAKFRWJKN-VVLHAWIVSA-N	1	0	354.458	1.258	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CN(C)c3ccncc3C#N)C2)CC[N@@H+]1C	ZINC001062184944	886953290	/nfs/dbraw/zinc/95/32/90/886953290.db2.gz	DAPXXFIDVIQZPV-RYQLBKOJSA-N	1	0	355.486	1.968	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C	ZINC001062354474	887073000	/nfs/dbraw/zinc/07/30/00/887073000.db2.gz	AWSZUYPPVIPKQM-ZACQAIPSSA-N	1	0	351.491	1.415	20	30		FDEDRO
C#CC[C@@H](CO)NC(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000920893225	887276615	/nfs/dbraw/zinc/27/66/15/887276615.db2.gz	YHMRPFBQHPLQCV-RBUKOAKNSA-N	1	0	359.470	1.115	20	30		FDEDRO
COc1ccc(C#N)cc1CN1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001031681542	887386742	/nfs/dbraw/zinc/38/67/42/887386742.db2.gz	XBPNCHONDSABBM-RDTXWAMCSA-N	1	0	356.470	1.455	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCC2CN(Cc3cc(C#N)ccc3F)C2)CC[N@@H+]1C	ZINC001031684083	887453011	/nfs/dbraw/zinc/45/30/11/887453011.db2.gz	GIDYFJGAXGTQRY-PKOBYXMFSA-N	1	0	358.461	1.976	20	30		FDEDRO
C#CC[C@@H](CO)NC(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1	ZINC000921318457	887631168	/nfs/dbraw/zinc/63/11/68/887631168.db2.gz	XLTZPAKHPOPIJG-IBGZPJMESA-N	1	0	373.497	1.741	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)Nc3ncn(C(C)(C)C)n3)cn2)CC1	ZINC000329575651	887645810	/nfs/dbraw/zinc/64/58/10/887645810.db2.gz	RYGLSUVRENQFDO-UHFFFAOYSA-N	1	0	372.477	1.706	20	30		FDEDRO
C#CCCS(=O)(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F	ZINC000921330157	887694064	/nfs/dbraw/zinc/69/40/64/887694064.db2.gz	DQDKJTGIFIMAHX-HUUCEWRRSA-N	1	0	360.401	1.992	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ccccc3OC)C2)CC1	ZINC000921425588	887939019	/nfs/dbraw/zinc/93/90/19/887939019.db2.gz	JTBLGISJCIBQNO-KRWDZBQOSA-N	1	0	356.470	1.671	20	30		FDEDRO
COCCN(CC[NH+](C)C)C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1	ZINC000509306984	887964306	/nfs/dbraw/zinc/96/43/06/887964306.db2.gz	VDXOKYYFPNIUGH-UHFFFAOYSA-N	1	0	355.442	1.703	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000946864443	888141275	/nfs/dbraw/zinc/14/12/75/888141275.db2.gz	KPEQJVLTAWTADA-KSZLIROESA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1OC	ZINC001212262349	888159394	/nfs/dbraw/zinc/15/93/94/888159394.db2.gz	LYZTYLXQNCWRAR-QZTJIDSGSA-N	1	0	352.475	1.049	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@H+]2CCC[C@H]2C)c1	ZINC001005970966	888294524	/nfs/dbraw/zinc/29/45/24/888294524.db2.gz	CBOGAGLPEVATGM-AXUOBQJMSA-N	1	0	366.465	1.409	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)Cn2nc(C)ccc2=O)C[C@H]1C	ZINC001106903272	888300369	/nfs/dbraw/zinc/30/03/69/888300369.db2.gz	FXXWAVAZNSYZOD-SJLPKXTDSA-N	1	0	360.502	1.982	20	30		FDEDRO
C#CCN(C(=O)NCc1cccnc1N1CCCC1)C1CC[NH+](C)CC1	ZINC000923197189	888360129	/nfs/dbraw/zinc/36/01/29/888360129.db2.gz	IWPDVODVQZLLPX-UHFFFAOYSA-N	1	0	355.486	1.921	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@@H](n2ccnn2)C1	ZINC001129281560	888454016	/nfs/dbraw/zinc/45/40/16/888454016.db2.gz	YONWKEUEWDMTET-SJORKVTESA-N	1	0	355.446	1.500	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccc(Cl)c(C(=O)OC)n2)CC1	ZINC000923243693	888574223	/nfs/dbraw/zinc/57/42/23/888574223.db2.gz	JOTFHBTUUTVECY-UHFFFAOYSA-N	1	0	364.833	1.418	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CCc3ccc(Cl)cc3)C[C@@H]2O)c1	ZINC001083765071	888908365	/nfs/dbraw/zinc/90/83/65/888908365.db2.gz	MAIHZFJMRFNHAB-MOPGFXCFSA-N	1	0	369.852	1.734	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)Cn2cccc(C)c2=O)[C@H](OC)C1	ZINC001212272782	888977667	/nfs/dbraw/zinc/97/76/67/888977667.db2.gz	ZDRNIWBFNCBVIB-QZTJIDSGSA-N	1	0	361.486	1.719	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCC[C@H](C)NC(=O)OC(C)(C)C)CC1	ZINC000923375762	889046227	/nfs/dbraw/zinc/04/62/27/889046227.db2.gz	DFRQVWSXWGPTKD-AWEZNQCLSA-N	1	0	352.479	1.687	20	30		FDEDRO
C[NH+](C)Cc1ccoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1	ZINC000999793820	913311839	/nfs/dbraw/zinc/31/18/39/913311839.db2.gz	CYXZMYQBCVKOPF-IKGGRYGDSA-N	1	0	355.438	1.616	20	30		FDEDRO
COc1cccc([C@@H]2C[NH2+]CCN2C[C@H](O)COc2ccccc2C#N)c1	ZINC000923424406	889203566	/nfs/dbraw/zinc/20/35/66/889203566.db2.gz	XGJCOFNNWNGGSE-ICSRJNTNSA-N	1	0	367.449	1.953	20	30		FDEDRO
CCN(c1cccc(F)c1C#N)[C@H](C)CNC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC001089775717	889667325	/nfs/dbraw/zinc/66/73/25/889667325.db2.gz	REOZORLIAQYSNY-HBUWYVDXSA-N	1	0	362.449	1.747	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)c2ccc(=O)n(-c3ccccc3F)n2)C1	ZINC000923562933	889841658	/nfs/dbraw/zinc/84/16/58/889841658.db2.gz	OJCZIDKTHUWYCL-AWEZNQCLSA-N	1	0	354.385	1.199	20	30		FDEDRO
Nc1nccc([C@@H]2CCCN(CC(=O)NC3CC[NH+](C4CC4)CC3)C2)n1	ZINC000328763262	889895780	/nfs/dbraw/zinc/89/57/80/889895780.db2.gz	ZYMCUMFAJZFRJA-CQSZACIVSA-N	1	0	358.490	1.822	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1cc(F)ccc1F	ZINC001127613181	889942649	/nfs/dbraw/zinc/94/26/49/889942649.db2.gz	SZJUUZFKZDRCCW-CJNGLKHVSA-N	1	0	367.396	1.590	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)N(C(C)C)C(C)C	ZINC001127613170	889943047	/nfs/dbraw/zinc/94/30/47/889943047.db2.gz	SNOGWKUDHWBPPM-ZACQAIPSSA-N	1	0	353.507	1.707	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1CN(C(=O)C2([NH+](C)C)CCC2)C1	ZINC001006168355	889951445	/nfs/dbraw/zinc/95/14/45/889951445.db2.gz	ZKMNIIBANYAUPZ-XIRDDKMYSA-N	1	0	363.502	1.415	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)cn1	ZINC000939121158	890022807	/nfs/dbraw/zinc/02/28/07/890022807.db2.gz	XXNWOHMPZRPGNY-OLMNPRSZSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]1OC	ZINC001212320861	890100349	/nfs/dbraw/zinc/10/03/49/890100349.db2.gz	GDBWNQKKBCCENQ-IPMKNSEASA-N	1	0	368.518	1.604	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001063057362	890159836	/nfs/dbraw/zinc/15/98/36/890159836.db2.gz	YSNDPRIMBKJXED-FVQBIDKESA-N	1	0	356.474	1.288	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1OC	ZINC001212338769	890347588	/nfs/dbraw/zinc/34/75/88/890347588.db2.gz	QYDCSRQPTZNXRX-HUUCEWRRSA-N	1	0	350.463	1.728	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNC(=O)[C@H](F)C[NH+](CC)CC)CCC1	ZINC001063274501	890407688	/nfs/dbraw/zinc/40/76/88/890407688.db2.gz	RISGPLMLUWHUQH-OAGGEKHMSA-N	1	0	369.481	1.413	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1	ZINC000939769413	891249989	/nfs/dbraw/zinc/24/99/89/891249989.db2.gz	GOVLYNZYKIORAH-ZACQAIPSSA-N	1	0	363.502	1.511	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)CC1	ZINC000939803463	891276757	/nfs/dbraw/zinc/27/67/57/891276757.db2.gz	DAXQLOHPCOTTRO-RDTXWAMCSA-N	1	0	371.485	1.583	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(C#N)c[nH]2)C3)C1	ZINC001001896922	891582972	/nfs/dbraw/zinc/58/29/72/891582972.db2.gz	FVRHKJNEAAFUSI-CRNXPOROSA-N	1	0	355.442	1.090	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccn(C)c2)C3)CC1	ZINC001002013722	891789194	/nfs/dbraw/zinc/78/91/94/891789194.db2.gz	FWKLFTDJIAHECA-QRVBRYPASA-N	1	0	368.481	1.232	20	30		FDEDRO
N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)cc1	ZINC001031871801	891920731	/nfs/dbraw/zinc/92/07/31/891920731.db2.gz	PSSQUGYUZWQSHO-GBESFXJTSA-N	1	0	355.438	1.158	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(C#N)c1)C2	ZINC001002129467	891962062	/nfs/dbraw/zinc/96/20/62/891962062.db2.gz	BXZWPILPKWREGZ-WCXIOVBPSA-N	1	0	355.442	1.232	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c[nH]c(C#N)c2)C3)C1	ZINC001002136488	891974739	/nfs/dbraw/zinc/97/47/39/891974739.db2.gz	WGTMUOCTUXJTSL-DXEWXGHRSA-N	1	0	355.442	1.090	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(N(C)C)cc2)C[C@H]1C	ZINC001106916991	892089572	/nfs/dbraw/zinc/08/95/72/892089572.db2.gz	VOBTWJLTVLHKNX-NVXWUHKLSA-N	1	0	358.486	1.353	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2ccoc2)C3)CC1	ZINC001002206800	892163889	/nfs/dbraw/zinc/16/38/89/892163889.db2.gz	FPBPKAAFKGKWSA-QRVBRYPASA-N	1	0	369.465	1.415	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1	ZINC000940311286	892257960	/nfs/dbraw/zinc/25/79/60/892257960.db2.gz	PZSRMKPANFKFRC-CZUORRHYSA-N	1	0	357.458	1.195	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nnc(C)s2)CC1	ZINC000940339298	892290997	/nfs/dbraw/zinc/29/09/97/892290997.db2.gz	BIMCUHJVNIXMLW-KGLIPLIRSA-N	1	0	350.488	1.908	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000921871699	892300758	/nfs/dbraw/zinc/30/07/58/892300758.db2.gz	YHKBYAMWQVQEHH-MRXNPFEDSA-N	1	0	355.442	1.447	20	30		FDEDRO
C=C[C@@H](C(=O)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1ccccc1	ZINC001002247128	892326572	/nfs/dbraw/zinc/32/65/72/892326572.db2.gz	YTIVHAVCPSHFAL-ATZDWAIDSA-N	1	0	355.482	1.871	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(N(C)C)cc2)C[C@H]1C	ZINC001106918057	892355147	/nfs/dbraw/zinc/35/51/47/892355147.db2.gz	CDNYFNGTIIRNMQ-SOLBZPMBSA-N	1	0	370.497	1.188	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CC(C)(C)CO2)C[C@H]1C	ZINC001106920199	892526010	/nfs/dbraw/zinc/52/60/10/892526010.db2.gz	OAZJDCPWRFOKOJ-ZACQAIPSSA-N	1	0	363.502	1.015	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ncccc2OC)C[C@H]1C	ZINC001106923382	892608909	/nfs/dbraw/zinc/60/89/09/892608909.db2.gz	RFYGQBFVNXJQRX-RBSFLKMASA-N	1	0	360.458	1.079	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4cc[nH]n4)[C@@H]3C2)cc1	ZINC001084247449	913692390	/nfs/dbraw/zinc/69/23/90/913692390.db2.gz	JNUYIYLCUDSZTR-VQIMIIECSA-N	1	0	365.437	1.587	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1	ZINC000672306846	892940582	/nfs/dbraw/zinc/94/05/82/892940582.db2.gz	BDPGPIOOCXAFEB-QGZVFWFLSA-N	1	0	357.454	1.468	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1	ZINC000672311391	893006864	/nfs/dbraw/zinc/00/68/64/893006864.db2.gz	FVHUZYWPAZTLJR-SFHVURJKSA-N	1	0	371.481	1.810	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cnn(CCOC)c2)C[C@H]1C	ZINC001106929815	893012664	/nfs/dbraw/zinc/01/26/64/893012664.db2.gz	SEEVMUHTSWBECV-HZPDHXFCSA-N	1	0	350.463	1.030	20	30		FDEDRO
C#CCOCCNC(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1	ZINC000921935128	893086182	/nfs/dbraw/zinc/08/61/82/893086182.db2.gz	JQYSKATXVCLQNZ-UHFFFAOYSA-N	1	0	359.470	1.617	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCc2c[nH]c3ncccc23)CC1	ZINC000672356712	893185873	/nfs/dbraw/zinc/18/58/73/893185873.db2.gz	NTGNFNBJEXEPJM-UHFFFAOYSA-N	1	0	369.469	1.378	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccccc2F)C[C@H]1C	ZINC001106942447	893287899	/nfs/dbraw/zinc/28/78/99/893287899.db2.gz	KUWZTZADAPNDDW-BFYDXBDKSA-N	1	0	361.461	1.743	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COc2ccccc2C)C[C@H]1C	ZINC001106942752	893307042	/nfs/dbraw/zinc/30/70/42/893307042.db2.gz	VTOGSGWYUKAFKP-IAGOWNOFSA-N	1	0	359.470	1.360	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)COCc2ccnn2C)[C@H](OC)C1	ZINC001212451206	893394568	/nfs/dbraw/zinc/39/45/68/893394568.db2.gz	RYVCLIFRZFCCNR-QZTJIDSGSA-N	1	0	366.506	1.723	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCc2ccnn2C)CC1(C)C	ZINC000941040273	893671926	/nfs/dbraw/zinc/67/19/26/893671926.db2.gz	ZHCPQKUBCYGALZ-SQNIBIBYSA-N	1	0	360.502	1.770	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2c(C)nc3sccn32)[C@H](OC)C1	ZINC001212458695	893708139	/nfs/dbraw/zinc/70/81/39/893708139.db2.gz	NDKROBJPNFDFTL-ZIAGYGMSSA-N	1	0	364.471	1.336	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C(C)(C)C1	ZINC000941090273	893841055	/nfs/dbraw/zinc/84/10/55/893841055.db2.gz	BQFIVEQKDMBQQL-JENIJYKNSA-N	1	0	368.481	1.451	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(OC)cc(OC)c1	ZINC000922024222	894440047	/nfs/dbraw/zinc/44/00/47/894440047.db2.gz	NMORDAXIVUOPQG-UHFFFAOYSA-N	1	0	352.456	1.422	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(C(=O)OC)c1	ZINC000922025293	894533339	/nfs/dbraw/zinc/53/33/39/894533339.db2.gz	FXPSAFHRSBVKEM-UHFFFAOYSA-N	1	0	350.440	1.191	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1ccc(-n2cccn2)cc1	ZINC000922025427	894535425	/nfs/dbraw/zinc/53/54/25/894535425.db2.gz	LGTALNKFKJDPTD-UHFFFAOYSA-N	1	0	372.494	1.732	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CCc4nnc[nH]4)[C@@H]3C2)cc1	ZINC001084264315	913878804	/nfs/dbraw/zinc/87/88/04/913878804.db2.gz	SZZXNZGMPFZEST-IAGOWNOFSA-N	1	0	350.426	1.342	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)C[C@H]1C	ZINC001106962181	895981443	/nfs/dbraw/zinc/98/14/43/895981443.db2.gz	BAODBCOJAUGWPO-BZUAXINKSA-N	1	0	364.490	1.405	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cc1	ZINC000941970019	896077899	/nfs/dbraw/zinc/07/78/99/896077899.db2.gz	IHHIXMPIHNLKOX-CEXWTWQISA-N	1	0	353.466	1.729	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)[nH]1	ZINC001084335403	914060178	/nfs/dbraw/zinc/06/01/78/914060178.db2.gz	IJMGPRKMIMVFIJ-IAGOWNOFSA-N	1	0	350.426	1.260	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)n(C)c2C)C[C@H]1C	ZINC001106966534	896407529	/nfs/dbraw/zinc/40/75/29/896407529.db2.gz	XHAWIRNTDIUYGF-FRFSOERESA-N	1	0	360.502	1.630	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C	ZINC001077884238	896637199	/nfs/dbraw/zinc/63/71/99/896637199.db2.gz	MWVSIMBYXWFGSV-YVSFHVDLSA-N	1	0	351.491	1.463	20	30		FDEDRO
C[NH2+]CCN(C(C)C)S(=O)(=O)c1cccc(Br)c1C#N	ZINC000903592173	896787517	/nfs/dbraw/zinc/78/75/17/896787517.db2.gz	XCCMHSPJRWRNEM-UHFFFAOYSA-N	1	0	360.277	1.939	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1	ZINC000942450734	897060284	/nfs/dbraw/zinc/06/02/84/897060284.db2.gz	XFLFKPOSNJXBBS-ZACQAIPSSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@@H]3CCO[C@H]3CC)C2)n1	ZINC001128111462	897120177	/nfs/dbraw/zinc/12/01/77/897120177.db2.gz	BFLDEABVVVTTHL-KSZLIROESA-N	1	0	358.486	1.867	20	30		FDEDRO
C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC2(CCOCC2)C1	ZINC001089958201	897282640	/nfs/dbraw/zinc/28/26/40/897282640.db2.gz	UOCNEHKVABJTJJ-CEXWTWQISA-N	1	0	370.497	1.534	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(NC(C)=O)c2)C[C@H]1C	ZINC001106976329	897305639	/nfs/dbraw/zinc/30/56/39/897305639.db2.gz	FYEJWFDVOQWGQJ-CRAIPNDOSA-N	1	0	357.454	1.593	20	30		FDEDRO
C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CCN(CC(=O)N2CCCC2)CC1	ZINC000360039496	897359998	/nfs/dbraw/zinc/35/99/98/897359998.db2.gz	YTJNMUSIZHVYDK-HXUWFJFHSA-N	1	0	370.497	1.610	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1C[NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1	ZINC000921726586	897369811	/nfs/dbraw/zinc/36/98/11/897369811.db2.gz	UOJTXWNXXICTMI-QGZVFWFLSA-N	1	0	365.499	1.753	20	30		FDEDRO
C#CC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@]34CCC[C@H]3OCC4)C2)n1	ZINC001128126282	897374244	/nfs/dbraw/zinc/37/42/44/897374244.db2.gz	NICDEVRMKRELIH-UEXGIBASSA-N	1	0	368.481	1.459	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NCC1CC[NH+](CCC)CC1	ZINC000184382156	897529920	/nfs/dbraw/zinc/52/99/20/897529920.db2.gz	FXMBXQRDMSGOSK-UHFFFAOYSA-N	1	0	357.454	1.875	20	30		FDEDRO
C#CCN(C(=O)NCCc1cccc(C(=O)OC)c1)C1CC[NH+](C)CC1	ZINC000921746859	897556334	/nfs/dbraw/zinc/55/63/34/897556334.db2.gz	NXFUQTLXTSRLJV-UHFFFAOYSA-N	1	0	357.454	1.755	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CNC(=O)c3ccc(C#N)[nH]3)CCC[C@@H]12	ZINC000995267019	897632634	/nfs/dbraw/zinc/63/26/34/897632634.db2.gz	CEAJZCDSKNJWMT-MBOZVWFJSA-N	1	0	369.469	1.482	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1O	ZINC001078027707	897656952	/nfs/dbraw/zinc/65/69/52/897656952.db2.gz	DKGPEOVWKZRZQK-RTBURBONSA-N	1	0	371.481	1.839	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1O	ZINC001078082872	897911772	/nfs/dbraw/zinc/91/17/72/897911772.db2.gz	XXVSTOWRYWJPTI-NJDAHSKKSA-N	1	0	364.445	1.105	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@]23CCC[C@H]2N(C(=O)C#CC2CC2)CC3)CC[N@@H+]1C	ZINC000995317903	898369480	/nfs/dbraw/zinc/36/94/80/898369480.db2.gz	RIHQQFBELBJJMG-QTQZEZTPSA-N	1	0	357.498	1.627	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)NC(C)(C)C)C[C@H]1C	ZINC001106997516	898414092	/nfs/dbraw/zinc/41/40/92/898414092.db2.gz	GPGOHSOZOGXLPF-HUUCEWRRSA-N	1	0	359.536	1.355	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1O	ZINC001078228569	898438005	/nfs/dbraw/zinc/43/80/05/898438005.db2.gz	VXTRPTCNNCGWFG-GUDVDZBRSA-N	1	0	356.470	1.094	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001078472367	898804481	/nfs/dbraw/zinc/80/44/81/898804481.db2.gz	VOHOCMAXCYXQDY-ZCNNSNEGSA-N	1	0	369.465	1.856	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2nc(C)c(C)s2)C[C@H]1C	ZINC001107000460	898969788	/nfs/dbraw/zinc/96/97/88/898969788.db2.gz	XJAGIMAKBFIURX-OSAQELSMSA-N	1	0	362.499	1.196	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1	ZINC000921836903	898992573	/nfs/dbraw/zinc/99/25/73/898992573.db2.gz	JEHBQTFAZMERTE-AYOQOUSVSA-N	1	0	357.454	1.656	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000943654776	899131062	/nfs/dbraw/zinc/13/10/62/899131062.db2.gz	QMYURCJVVXKSFS-ATIWLJMLSA-N	1	0	363.502	1.605	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C3CC3)cc2)C[C@H]1C	ZINC001107015596	899546093	/nfs/dbraw/zinc/54/60/93/899546093.db2.gz	WUQCNJQYYIECML-JXXFODFXSA-N	1	0	367.493	2.000	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2csc(CC)n2)C[C@H]1C	ZINC001107030554	899644654	/nfs/dbraw/zinc/64/46/54/899644654.db2.gz	LLQYZGQKFDHBAI-ZIAGYGMSSA-N	1	0	364.515	1.234	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2CNC(=O)[C@@H]2C[C@H]2C2CC2)CC1	ZINC000944073284	899819753	/nfs/dbraw/zinc/81/97/53/899819753.db2.gz	RLMGTRPFLBWIIZ-CEXWTWQISA-N	1	0	357.498	1.485	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(C)nn(C)c3n2)C[C@H]1C	ZINC001107039154	900027051	/nfs/dbraw/zinc/02/70/51/900027051.db2.gz	LRRXTUNUNYQWIB-GDBMZVCRSA-N	1	0	371.485	1.777	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000944307303	900123496	/nfs/dbraw/zinc/12/34/96/900123496.db2.gz	SJAHIOQRWNAIDI-AVEIZBFRSA-N	1	0	363.502	1.415	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C23CC(C(C)(C)C)(C2)C3)C[C@H]1C	ZINC001107054115	900203532	/nfs/dbraw/zinc/20/35/32/900203532.db2.gz	GSTFKSNBEXUMKK-AJHHTPGJSA-N	1	0	359.514	1.636	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]C[C@@H](O)COC)[C@H](C)C2)CCCCC1	ZINC001107058895	900285816	/nfs/dbraw/zinc/28/58/16/900285816.db2.gz	GJXZOLWXOVHPPT-KZNAEPCWSA-N	1	0	350.503	1.652	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3c2CCC3)C[C@H]1C	ZINC001107062716	900376987	/nfs/dbraw/zinc/37/69/87/900376987.db2.gz	QPJSMSVJQWXYNG-NVXWUHKLSA-N	1	0	355.482	1.775	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc3c(c2)nnn3C)[C@H](C)C1	ZINC001107062705	900377030	/nfs/dbraw/zinc/37/70/30/900377030.db2.gz	QCWNBZANHZAZJZ-BFYDXBDKSA-N	1	0	371.485	1.744	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ncc(Cl)n2C)[C@H](C)C1	ZINC001107063063	900448117	/nfs/dbraw/zinc/44/81/17/900448117.db2.gz	APJRMISGIFYMHV-MGPQQGTHSA-N	1	0	354.882	1.849	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)(C)CC)[C@H](C)C1	ZINC001107063049	900448285	/nfs/dbraw/zinc/44/82/85/900448285.db2.gz	AGJIOGHJDWKTBV-OWCLPIDISA-N	1	0	353.507	1.566	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCCC2)[C@H](C)C1	ZINC001107063698	900451120	/nfs/dbraw/zinc/45/11/20/900451120.db2.gz	XSKQLLKREUZYHN-OWCLPIDISA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@@H](C)C2CC2)[C@H](C)C1	ZINC001107065573	900456058	/nfs/dbraw/zinc/45/60/58/900456058.db2.gz	SVQDEEDMDYNNCN-HLLBOEOZSA-N	1	0	351.491	1.178	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@H](C)C2CC2)[C@H](C)C1	ZINC001107065572	900456323	/nfs/dbraw/zinc/45/63/23/900456323.db2.gz	SVQDEEDMDYNNCN-BFYDXBDKSA-N	1	0	351.491	1.178	20	30		FDEDRO
CC(C)[C@@H](C)NC(=O)CO[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1	ZINC000072921424	900562688	/nfs/dbraw/zinc/56/26/88/900562688.db2.gz	DBZAYTPBUSUPEK-CQSZACIVSA-N	1	0	362.474	1.445	20	30		FDEDRO
CC(C)C[C@@H](C(N)=O)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1	ZINC001107094509	900830380	/nfs/dbraw/zinc/83/03/80/900830380.db2.gz	GNHHJCYJSDEXQZ-LZQZEXGQSA-N	1	0	370.497	1.890	20	30		FDEDRO
CC(C)C[C@H](C(N)=O)C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1	ZINC001107094976	900839253	/nfs/dbraw/zinc/83/92/53/900839253.db2.gz	XGINURXOMOMGTA-ATZDWAIDSA-N	1	0	370.497	1.890	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+][C@H]3CCC(=O)NC3=O)[C@H](C)C2)CCCC1	ZINC001107098650	900952305	/nfs/dbraw/zinc/95/23/05/900952305.db2.gz	BIJMRFWAJRYDTM-OAGGEKHMSA-N	1	0	361.486	1.612	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC3(CCN(c4cnc(C#N)cn4)C3)CC2)CC[N@@H+]1C	ZINC001063604300	901024378	/nfs/dbraw/zinc/02/43/78/901024378.db2.gz	QOYQIMGGDOBIAT-NVXWUHKLSA-N	1	0	368.485	1.507	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNC(=O)c2ccc3c[nH+]cn3c2)CCC1	ZINC001063635484	901038912	/nfs/dbraw/zinc/03/89/12/901038912.db2.gz	GGJCNWCMJROYST-SJORKVTESA-N	1	0	368.437	1.694	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@H]2CN(c3cccc(F)c3C#N)CCO2)CC[N@@H+]1C	ZINC001063670354	901090674	/nfs/dbraw/zinc/09/06/74/901090674.db2.gz	HRRQDWULDFXNRL-QLFBSQMISA-N	1	0	360.433	1.359	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ncccc2OCC)C[C@H]1C	ZINC001107104336	901182880	/nfs/dbraw/zinc/18/28/80/901182880.db2.gz	YBSVHPMAYSIOLF-HUUCEWRRSA-N	1	0	360.458	1.080	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(c2cccc(N3CC[NH+](CC)CC3)c2)C1=O	ZINC000348645859	901337047	/nfs/dbraw/zinc/33/70/47/901337047.db2.gz	MWSOIJHOOJUUIT-QGZVFWFLSA-N	1	0	358.442	1.456	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@]3(CCN(c4ccc(C#N)nn4)C3)C2)CC[N@@H+]1C	ZINC001064650399	901520972	/nfs/dbraw/zinc/52/09/72/901520972.db2.gz	XMPAHJBREOKUKN-OGWOLHLISA-N	1	0	354.458	1.117	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2CN(c3nccnc3C#N)C[C@H]21	ZINC001090341252	901758776	/nfs/dbraw/zinc/75/87/76/901758776.db2.gz	VGPRYFIROPELKS-SQWLQELKSA-N	1	0	360.437	1.065	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccc(=O)[nH]n2)C1	ZINC001079126019	901925167	/nfs/dbraw/zinc/92/51/67/901925167.db2.gz	PAIARMFHDOMZRU-QZTJIDSGSA-N	1	0	368.437	1.446	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]1CN(CC#N)C[C@H]1O	ZINC001079147565	901973867	/nfs/dbraw/zinc/97/38/67/901973867.db2.gz	WYRURLPZAOKBNV-VAMGGRTRSA-N	1	0	370.497	1.458	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CO[C@H]2CCOC2)CC[C@H]1c1ccc(F)cc1	ZINC001079152224	901986956	/nfs/dbraw/zinc/98/69/56/901986956.db2.gz	BFGIFSFLFNTJAB-GBESFXJTSA-N	1	0	360.429	1.539	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CN(C(=O)C#CC2CC2)CC[C@H]1c1ccc(F)cc1)C(N)=O	ZINC001079152298	901987024	/nfs/dbraw/zinc/98/70/24/901987024.db2.gz	FLBRZDRRXDHCEN-DOPJRALCSA-N	1	0	357.429	1.387	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)CC[C@H]1c1ccc(F)cc1	ZINC001079152200	901987401	/nfs/dbraw/zinc/98/74/01/901987401.db2.gz	ADTXQLCEVHEVPZ-BPQIPLTHSA-N	1	0	359.445	1.764	20	30		FDEDRO
CC[C@@H]([NH2+][C@@H]1CN(C(=O)C#CC2CC2)CC[C@H]1c1ccc(F)cc1)C(N)=O	ZINC001079152609	901988495	/nfs/dbraw/zinc/98/84/95/901988495.db2.gz	UPFHVAIGLWUSLO-IPMKNSEASA-N	1	0	371.456	1.777	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC(=O)NC2)CC[C@H]1c1ccc(F)cc1	ZINC001079153333	901990006	/nfs/dbraw/zinc/99/00/06/901990006.db2.gz	AEAJHGOZCQUPIA-ZYSHUDEJSA-N	1	0	371.456	1.649	20	30		FDEDRO
C=CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1	ZINC001079141352	902031848	/nfs/dbraw/zinc/03/18/48/902031848.db2.gz	AIVNQZWEQBNGNP-MJUUVYJYSA-N	1	0	371.525	1.977	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2c(C)nc[nH]c2=O)C1	ZINC001079141670	902034140	/nfs/dbraw/zinc/03/41/40/902034140.db2.gz	RPIJSAOFJAPGBO-IAGOWNOFSA-N	1	0	368.437	1.364	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]Cc2ccn(C)n2)C1	ZINC001079174727	902056800	/nfs/dbraw/zinc/05/68/00/902056800.db2.gz	DWMFRJAULDYJGR-DOPJRALCSA-N	1	0	355.417	1.803	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CC[C@H]1c1ccc(F)cc1	ZINC001079157912	902077922	/nfs/dbraw/zinc/07/79/22/902077922.db2.gz	ISTVWYYKGHHKDH-GVDBMIGSSA-N	1	0	360.433	1.357	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)CC[C@H]1c1ccc(F)cc1	ZINC001079160319	902084011	/nfs/dbraw/zinc/08/40/11/902084011.db2.gz	MZTCLABUFRXVAK-FGTMMUONSA-N	1	0	359.445	1.955	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(COC)on2)C[C@H]1c1cccc(F)c1	ZINC001079201950	902101836	/nfs/dbraw/zinc/10/18/36/902101836.db2.gz	KYICHSRIDYUYKU-FUHWJXTLSA-N	1	0	357.385	1.791	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3n[nH]nc3C2)C[C@H]1c1cccc(F)c1	ZINC001079207206	902114390	/nfs/dbraw/zinc/11/43/90/902114390.db2.gz	SZJKHFYEVXMNGF-URLQWDBASA-N	1	0	367.428	1.266	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)cs2)C[C@H]1c1cccc(F)c1	ZINC001079210970	902120271	/nfs/dbraw/zinc/12/02/71/902120271.db2.gz	KYNAQONLQNFBBW-JKSUJKDBSA-N	1	0	371.437	1.817	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](NCC#N)C2)CC[N@@H+]1C	ZINC001079185273	902129144	/nfs/dbraw/zinc/12/91/44/902129144.db2.gz	GTCKMRPHYVWFKK-INDMIFKZSA-N	1	0	358.461	1.964	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2COCCN2CC)C[C@H]1c1cccc(F)c1	ZINC001079189680	902142966	/nfs/dbraw/zinc/14/29/66/902142966.db2.gz	WMWLIBBADWANIA-IPMKNSEASA-N	1	0	361.461	1.616	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)Cc3cc(C)n[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079234501	902171675	/nfs/dbraw/zinc/17/16/75/902171675.db2.gz	OPIFLPXMYCRUFK-ZWKOTPCHSA-N	1	0	358.486	1.776	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3c[nH]c(C#N)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079235824	902176217	/nfs/dbraw/zinc/17/62/17/902176217.db2.gz	STYAQWQRKXRUPG-ZWKOTPCHSA-N	1	0	352.438	1.463	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC3(CC[NH+](CC4CC4)CC3)[C@H]3COC[C@H]32)[nH]1	ZINC001079237070	902178763	/nfs/dbraw/zinc/17/87/63/902178763.db2.gz	LRHRZGJPOXUIJN-FUHWJXTLSA-N	1	0	354.454	1.849	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)[C@H](C)n3cncn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079237316	902179174	/nfs/dbraw/zinc/17/91/74/902179174.db2.gz	ZJEZZZSBZQGPNH-YESZJQIVSA-N	1	0	359.474	1.355	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3nccc(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079239476	902186884	/nfs/dbraw/zinc/18/68/84/902186884.db2.gz	VYIXPRDJDTWSDZ-DLBZAZTESA-N	1	0	354.454	1.361	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)C3CC(OCC)C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079240277	902187000	/nfs/dbraw/zinc/18/70/00/902187000.db2.gz	FCSKFTXUJXGXHK-WZOJCFFYSA-N	1	0	360.498	1.764	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)CO[C@H]3CCOC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079241799	902193486	/nfs/dbraw/zinc/19/34/86/902193486.db2.gz	CMSKNYKBBAUJJR-OKZBNKHCSA-N	1	0	364.486	1.307	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)nc2)C[C@H]1c1cccc(F)c1	ZINC001079212314	902198098	/nfs/dbraw/zinc/19/80/98/902198098.db2.gz	UWLWNXUARGHZFO-FUHWJXTLSA-N	1	0	368.412	1.703	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CN(C(=O)c3ccnn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079228554	902243722	/nfs/dbraw/zinc/24/37/22/902243722.db2.gz	QHYRSWDKTVTTPJ-FUHWJXTLSA-N	1	0	358.486	1.939	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cnn4c3CCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079244741	902249527	/nfs/dbraw/zinc/24/95/27/902249527.db2.gz	CHASFPRRCRQQDG-FUHWJXTLSA-N	1	0	356.470	1.568	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cnc4cc[nH]c4c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079247305	902261520	/nfs/dbraw/zinc/26/15/20/902261520.db2.gz	XAFYVWATZZKTTJ-QFBILLFUSA-N	1	0	364.449	1.749	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3coc(OCC)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079250247	902268434	/nfs/dbraw/zinc/26/84/34/902268434.db2.gz	VDSQQXAHFRBLAL-GOEBONIOSA-N	1	0	361.442	1.812	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ncc4ccccn43)[C@@H]3COC[C@@H]32)CC1	ZINC001079251068	902270553	/nfs/dbraw/zinc/27/05/53/902270553.db2.gz	DLJHKMGTIGINTR-ZWKOTPCHSA-N	1	0	364.449	1.521	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cc(OC)ccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079254587	902281440	/nfs/dbraw/zinc/28/14/40/902281440.db2.gz	JZAQTWOKRFWING-PKOBYXMFSA-N	1	0	369.465	1.667	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)Cc3ncccc3F)[C@@H]3COC[C@@H]32)CC1	ZINC001079257872	902288981	/nfs/dbraw/zinc/28/89/81/902288981.db2.gz	AWMBQZGHSGKFIC-QFBILLFUSA-N	1	0	371.456	1.726	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)[C@H](C)c3cncnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079257954	902289027	/nfs/dbraw/zinc/28/90/27/902289027.db2.gz	GCPYLBIDRDODIT-NZSAHSFTSA-N	1	0	368.481	1.543	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)C[C@H](C)n3ccnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079263698	902306435	/nfs/dbraw/zinc/30/64/35/902306435.db2.gz	HRSRJLPOYVGVCE-GBESFXJTSA-N	1	0	370.497	1.797	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)Cn3cc(Cl)cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079264044	902309641	/nfs/dbraw/zinc/30/96/41/902309641.db2.gz	XCBVVGFWMHRXHX-JKSUJKDBSA-N	1	0	362.861	1.109	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cnc(C)nc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079267093	902315582	/nfs/dbraw/zinc/31/55/82/902315582.db2.gz	OBDIUKKHLIAXEU-RBUKOAKNSA-N	1	0	368.481	1.670	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCc4n[nH]cc4C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079270250	902328751	/nfs/dbraw/zinc/32/87/51/902328751.db2.gz	JDLHNQMVQUAVIA-VDZJLULYSA-N	1	0	368.481	1.087	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)Cn3ccccc3=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079273929	902334129	/nfs/dbraw/zinc/33/41/29/902334129.db2.gz	XFBMAHATWFMJPZ-ZWKOTPCHSA-N	1	0	371.481	1.364	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)[C@H](C)c3ccnn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079242913	902339252	/nfs/dbraw/zinc/33/92/52/902339252.db2.gz	AASJCBCRMTZLJZ-ZIFCJYIRSA-N	1	0	370.497	1.486	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cncc4nc[nH]c43)[C@@H]3COC[C@@H]32)CC1	ZINC001079243081	902340062	/nfs/dbraw/zinc/34/00/62/902340062.db2.gz	JWNBIOCOYIDHPB-DOTOQJQBSA-N	1	0	365.437	1.144	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]([NH2+]CCc2cnn(C)c2)C(C)(C)C1	ZINC000995835261	902366927	/nfs/dbraw/zinc/36/69/27/902366927.db2.gz	WLFKAXKKWKXCEV-SQNIBIBYSA-N	1	0	360.502	1.770	20	30		FDEDRO
Cn1nncc1C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1ccccc1F	ZINC001079295950	902400532	/nfs/dbraw/zinc/40/05/32/902400532.db2.gz	ZECYJKFUYSFBNL-PKOBYXMFSA-N	1	0	367.428	1.452	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C(C)C)C2)C[C@H]1c1ccccc1F	ZINC001079296909	902403541	/nfs/dbraw/zinc/40/35/41/902403541.db2.gz	YJCNUABOGOZDQV-HHXXYDBFSA-N	1	0	371.456	1.600	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(CCC)nn2)C[C@H]1c1ccccc1F	ZINC001079317167	902414358	/nfs/dbraw/zinc/41/43/58/902414358.db2.gz	RVCFYIJPRGQQIC-DOTOQJQBSA-N	1	0	355.417	1.658	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@H]1c1ccccc1F	ZINC001079318722	902418903	/nfs/dbraw/zinc/41/89/03/902418903.db2.gz	UUXMTINZJWWYMV-FUHWJXTLSA-N	1	0	355.413	1.908	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3n[nH]nc3C2)C[C@H]1c1ccccc1F	ZINC001079318708	902419138	/nfs/dbraw/zinc/41/91/38/902419138.db2.gz	UIVITGYHOUMTMC-FRIZHTMISA-N	1	0	369.444	1.819	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCC(=O)N2)C[C@H]1c1ccccc1F	ZINC001079309606	902443150	/nfs/dbraw/zinc/44/31/50/902443150.db2.gz	HXWBKOQBOWBQTB-RYQLBKOJSA-N	1	0	359.445	1.955	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21	ZINC001084409498	914640021	/nfs/dbraw/zinc/64/00/21/914640021.db2.gz	ZDUCGLVQOLBPPZ-SOLBZPMBSA-N	1	0	366.469	1.599	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC001079542623	902776966	/nfs/dbraw/zinc/77/69/66/902776966.db2.gz	ZMMYDGPTYNMQFX-SJKOYZFVSA-N	1	0	351.410	1.236	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)c1cnn(C)c1N	ZINC001079606072	902907691	/nfs/dbraw/zinc/90/76/91/902907691.db2.gz	GSLQGJQIDZBPHY-CXAGYDPISA-N	1	0	368.441	1.155	20	30		FDEDRO
Cc1ccnc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]2C)n1	ZINC001079632360	902916764	/nfs/dbraw/zinc/91/67/64/902916764.db2.gz	YRWXRQQLEMFNQE-RDTXWAMCSA-N	1	0	365.437	1.938	20	30		FDEDRO
Cc1cn(C)nc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1C	ZINC001079681396	903014432	/nfs/dbraw/zinc/01/44/32/903014432.db2.gz	KSGSTIQZRCYIMX-RDTXWAMCSA-N	1	0	367.453	1.881	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C#N)[nH]1)C2	ZINC000996096593	903075474	/nfs/dbraw/zinc/07/54/74/903075474.db2.gz	RATWZXBPRPQNTO-BSWAZPDLSA-N	1	0	355.442	1.232	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@]23CC[N@H+](C2)CCC3)c[nH]1	ZINC000996120468	903146477	/nfs/dbraw/zinc/14/64/77/903146477.db2.gz	LKISKMBFLYDIPJ-YLAKUSLOSA-N	1	0	367.453	1.234	20	30		FDEDRO
C[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001079726355	903146730	/nfs/dbraw/zinc/14/67/30/903146730.db2.gz	QDBXYQVHMPOXPX-BCXHYRKLSA-N	1	0	358.461	1.974	20	30		FDEDRO
CCn1ccc(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)n1	ZINC001079732798	903157125	/nfs/dbraw/zinc/15/71/25/903157125.db2.gz	TZTJVVJAJYMIGD-DNVCBOLYSA-N	1	0	351.454	1.954	20	30		FDEDRO
N#Cc1ccccc1N1CCC(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1	ZINC000764062050	903256831	/nfs/dbraw/zinc/25/68/31/903256831.db2.gz	ICMRYRBQNNBRHC-LJQANCHMSA-N	1	0	353.470	1.033	20	30		FDEDRO
CC(C)N1C[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)CC1=O	ZINC001079796869	903353314	/nfs/dbraw/zinc/35/33/14/903353314.db2.gz	QZNNVXRHDVZMRK-AYOQOUSVSA-N	1	0	368.481	1.752	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(N(CC)C(=O)C[NH+]2CCCC2)C1	ZINC001079808430	903394315	/nfs/dbraw/zinc/39/43/15/903394315.db2.gz	QUVPFUCRJSXECA-HKUYNNGSSA-N	1	0	363.502	1.513	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001079860931	903552027	/nfs/dbraw/zinc/55/20/27/903552027.db2.gz	FJGGZSUGMADKNE-BHYGNILZSA-N	1	0	351.491	1.367	20	30		FDEDRO
C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1(C)C	ZINC000996299039	903634675	/nfs/dbraw/zinc/63/46/75/903634675.db2.gz	QFLSVWWYNXUMRY-IKGGRYGDSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccnc(OC)n2)C(C)(C)C1	ZINC000996330910	903711575	/nfs/dbraw/zinc/71/15/75/903711575.db2.gz	NSVURFSCXVJRQJ-PMPSAXMXSA-N	1	0	360.458	1.403	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCn2cncn2)C(C)(C)C1	ZINC000996395476	903841491	/nfs/dbraw/zinc/84/14/91/903841491.db2.gz	RFDDUGLREMMAOC-BBWFWOEESA-N	1	0	361.490	1.476	20	30		FDEDRO
CC(=O)N[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccc1C#N)CC2	ZINC001107267297	904231342	/nfs/dbraw/zinc/23/13/42/904231342.db2.gz	CCFXVCGWSWILBO-NYSBEXSLSA-N	1	0	368.481	1.944	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC([NH2+]Cc3ccccc3C#N)CC2)C1	ZINC000996592780	904273446	/nfs/dbraw/zinc/27/34/46/904273446.db2.gz	OXVPRNNSVLTUPX-RDTXWAMCSA-N	1	0	354.454	1.554	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CC[C@H]3CCCO3)CCC[C@@H]12	ZINC001107292699	904372186	/nfs/dbraw/zinc/37/21/86/904372186.db2.gz	LPDPYHCOBGRXTR-MBOZVWFJSA-N	1	0	363.502	1.609	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCO[C@H]1CC1(F)F)CC2	ZINC001107329109	904492717	/nfs/dbraw/zinc/49/27/17/904492717.db2.gz	ILZPZLUVVXYOGO-HLLBOEOZSA-N	1	0	358.429	1.974	20	30		FDEDRO
CC(C)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C#N)c[nH]3)CCC[C@@H]12	ZINC001107349581	904551101	/nfs/dbraw/zinc/55/11/01/904551101.db2.gz	IFRPVCPJBHCAOG-VQIMIIECSA-N	1	0	357.458	1.385	20	30		FDEDRO
C=CCOCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCCC)CC2	ZINC001107351087	904555098	/nfs/dbraw/zinc/55/50/98/904555098.db2.gz	YLAIXHBITYTPTO-YLJYHZDGSA-N	1	0	365.518	1.856	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](CC)SC)CCC[C@@H]12	ZINC001107363827	904564262	/nfs/dbraw/zinc/56/42/62/904564262.db2.gz	REHOWMSUCZEJGA-HDMKZQKVSA-N	1	0	353.532	1.791	20	30		FDEDRO
C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccnc1)CC2	ZINC001107366917	904576449	/nfs/dbraw/zinc/57/64/49/904576449.db2.gz	YZWXGRODMYYVIE-YLJYHZDGSA-N	1	0	354.454	1.082	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3CC(F)(F)C3)CCC[C@@H]12	ZINC001107356695	904579673	/nfs/dbraw/zinc/57/96/73/904579673.db2.gz	ONIQMFCAISIINQ-RHSMWYFYSA-N	1	0	355.429	1.695	20	30		FDEDRO
C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cncs1)CC2	ZINC001107374059	904604783	/nfs/dbraw/zinc/60/47/83/904604783.db2.gz	ICOJMPWWQMFUIR-CRAIPNDOSA-N	1	0	360.483	1.143	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CC[C@@H](C)OC)CCC[C@@H]12	ZINC001107368361	904627708	/nfs/dbraw/zinc/62/77/08/904627708.db2.gz	VBEUPKHYEWPOII-GPMSIDNRSA-N	1	0	351.491	1.465	20	30		FDEDRO
CO[C@H](C[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](OC)C1)C1CCCC1	ZINC001081507135	904718377	/nfs/dbraw/zinc/71/83/77/904718377.db2.gz	GZIXCVDURAOHAE-KZNAEPCWSA-N	1	0	360.458	1.521	20	30		FDEDRO
CCN(C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C#CC3CC3)CCC[C@@H]12)C1CC1	ZINC001107399683	904729100	/nfs/dbraw/zinc/72/91/00/904729100.db2.gz	DUAUUTSJOMSLSJ-WIYYLYMNSA-N	1	0	357.498	1.772	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCCCC)CC2	ZINC001107402722	904739857	/nfs/dbraw/zinc/73/98/57/904739857.db2.gz	QAKDJWFLHPNUTK-SQGPQFPESA-N	1	0	363.502	1.302	20	30		FDEDRO
C=CCCOCCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(N)=O)CC2	ZINC001107404661	904746357	/nfs/dbraw/zinc/74/63/57/904746357.db2.gz	HTCWRCCHIHBZBR-VQIMIIECSA-N	1	0	351.491	1.596	20	30		FDEDRO
CO[C@@H]1C[N@H+](Cc2ccccc2N(C)C)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC001081563459	904770578	/nfs/dbraw/zinc/77/05/78/904770578.db2.gz	QHOFRFUYACEXTP-IEBWSBKVSA-N	1	0	367.453	1.582	20	30		FDEDRO
O=C(NCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1N=CC=CC1=O	ZINC000764503855	904836865	/nfs/dbraw/zinc/83/68/65/904836865.db2.gz	DLRQRBPYZLUNSO-UHHPSXQGSA-N	1	0	360.458	1.426	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1CCNC(=O)CC1	ZINC001080200948	904936721	/nfs/dbraw/zinc/93/67/21/904936721.db2.gz	WQYRCUXSNGJPKX-ZTFGCOKTSA-N	1	0	354.454	1.411	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)COCc3ccc(OC)nc3)CCC[C@@H]12	ZINC001107448811	904967848	/nfs/dbraw/zinc/96/78/48/904967848.db2.gz	VSZVKZXHKFKKFC-WIYYLYMNSA-N	1	0	371.481	1.991	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccn(C)c(=O)c3)CCC[C@@H]12	ZINC001107453762	904996992	/nfs/dbraw/zinc/99/69/92/904996992.db2.gz	XUSAHJKPHVKLGV-YLJYHZDGSA-N	1	0	357.454	1.010	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)CS(=O)(=O)CC(C)C)CCC[C@@H]12	ZINC001107455136	905014479	/nfs/dbraw/zinc/01/44/79/905014479.db2.gz	ZHMLQPRQYKOKNN-SJLPKXTDSA-N	1	0	356.532	1.994	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)CCN3C(=O)CCC3=O)CCC[C@@H]12	ZINC001107464974	905030802	/nfs/dbraw/zinc/03/08/02/905030802.db2.gz	BTKAQZMFLMPIDO-RDTXWAMCSA-N	1	0	367.877	1.639	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3c(C)oc(C)c3C)CCC[C@@H]12	ZINC001107466395	905040868	/nfs/dbraw/zinc/04/08/68/905040868.db2.gz	HSLROMIYZUVLFD-DYESRHJHSA-N	1	0	371.481	1.929	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CCc3c(C)nc[nH]c3=O)CCC[C@@H]12	ZINC001107463782	905070593	/nfs/dbraw/zinc/07/05/93/905070593.db2.gz	DFEQAHLYAGMOEZ-YLJYHZDGSA-N	1	0	356.470	1.807	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)[C@H](OC)C1	ZINC001081810358	905133053	/nfs/dbraw/zinc/13/30/53/905133053.db2.gz	VYNZZMVBRPVEJL-QBPKDAKJSA-N	1	0	362.474	1.279	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CCC)S(N)(=O)=O)CCC[C@@H]12	ZINC001107485226	905161557	/nfs/dbraw/zinc/16/15/57/905161557.db2.gz	PUGUDFJNAYVOIU-JFIYKMOQSA-N	1	0	371.547	1.771	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cn(C)nc3OC)CCC[C@@H]12	ZINC001107494848	905198059	/nfs/dbraw/zinc/19/80/59/905198059.db2.gz	CFEMYQADRLXWCC-VQIMIIECSA-N	1	0	360.458	1.053	20	30		FDEDRO
C=CC(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@@H](O)Cn1cccn1)CC2	ZINC001107503342	905259075	/nfs/dbraw/zinc/25/90/75/905259075.db2.gz	WZIAQOHEHQBPNN-MBOZVWFJSA-N	1	0	360.502	1.817	20	30		FDEDRO
C=CC(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H](O)Cn1cccn1)CC2	ZINC001107503343	905260293	/nfs/dbraw/zinc/26/02/93/905260293.db2.gz	WZIAQOHEHQBPNN-SQGPQFPESA-N	1	0	360.502	1.817	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(CC)C(=O)C2(C[NH+](C)C)CC2)C1	ZINC001080380493	905286538	/nfs/dbraw/zinc/28/65/38/905286538.db2.gz	WSNKPGWUCFWSCV-IRXDYDNUSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCN1CCNC1=O)CC2	ZINC001107534138	905406473	/nfs/dbraw/zinc/40/64/73/905406473.db2.gz	ZBINTVLCPRZSLQ-LSTHTHJFSA-N	1	0	362.518	1.975	20	30		FDEDRO
COc1ccc(CN2C[C@@H](C)[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)cc1C#N	ZINC001080441658	905441834	/nfs/dbraw/zinc/44/18/34/905441834.db2.gz	USCYOTKLKOJMTQ-GPMSIDNRSA-N	1	0	370.497	1.988	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1nccn2ccnc12	ZINC001080467742	905474093	/nfs/dbraw/zinc/47/40/93/905474093.db2.gz	DLPKLTMMYUZAOF-RHSMWYFYSA-N	1	0	360.421	1.851	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3Cc4ccncc4C3)CCC[C@@H]12	ZINC001107547515	905532856	/nfs/dbraw/zinc/53/28/56/905532856.db2.gz	PWVOUBOALISJPY-SYYKKAFVSA-N	1	0	367.493	1.807	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2CCN(C(=O)C(C)C)CC2)[C@H](OC)C1	ZINC001082009622	905542413	/nfs/dbraw/zinc/54/24/13/905542413.db2.gz	MNJKJAQQBNWPIM-QZTJIDSGSA-N	1	0	365.518	1.663	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CC(C)(C)CO3)C[C@H]2OC)cc1	ZINC001082012680	905554703	/nfs/dbraw/zinc/55/47/03/905554703.db2.gz	DKYKTGVKAQHBAN-GUDVDZBRSA-N	1	0	356.466	1.912	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN(C(C)(C)C)C2=O)[C@H](OC)C1	ZINC001082049813	905618595	/nfs/dbraw/zinc/61/85/95/905618595.db2.gz	CBUGHQYIGFBGJK-BRWVUGGUSA-N	1	0	365.518	1.805	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(CC)C(=O)C[N@@H+]2CCC[C@H]2C)C1	ZINC001080557816	905679110	/nfs/dbraw/zinc/67/91/10/905679110.db2.gz	FLZPRCHRNORUAU-AYBZRNKSSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@H](F)C[NH+](CC)CC)C1	ZINC001080574450	905724819	/nfs/dbraw/zinc/72/48/19/905724819.db2.gz	CWDQTNVKKFNCJV-ZACQAIPSSA-N	1	0	369.481	1.317	20	30		FDEDRO
c1cc2ncnc(N=NC3CC[NH+](CCN4CCOCC4)CC3)c2s1	ZINC000764840496	905774202	/nfs/dbraw/zinc/77/42/02/905774202.db2.gz	IUSMHJDUTAWFET-UHFFFAOYSA-N	1	0	360.487	1.887	20	30		FDEDRO
C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1	ZINC000996832573	905796495	/nfs/dbraw/zinc/79/64/95/905796495.db2.gz	ZFQFVTWECKHVOA-SJORKVTESA-N	1	0	371.909	1.199	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1C	ZINC001080598991	905818132	/nfs/dbraw/zinc/81/81/32/905818132.db2.gz	IPXZDHAUPZGPEC-FDPIWHGQSA-N	1	0	371.481	1.703	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](OC)C3CCCC3)C[C@H]2OC)c1	ZINC001082118095	905832037	/nfs/dbraw/zinc/83/20/37/905832037.db2.gz	GSJRUNPNRARIGA-VAMGGRTRSA-N	1	0	371.481	1.697	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CCCS(=O)(=O)C3)CCC[C@@H]12	ZINC001107599465	905903236	/nfs/dbraw/zinc/90/32/36/905903236.db2.gz	GABYMXDJGYXTQL-LZLYRXPVSA-N	1	0	354.516	1.748	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1cn(CC2CC2)nn1	ZINC001080681768	905947956	/nfs/dbraw/zinc/94/79/56/905947956.db2.gz	GDQJOPVDXPDJOX-RDTXWAMCSA-N	1	0	364.453	1.810	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)n3cccc3)CCC[C@@H]12	ZINC001107614931	905999248	/nfs/dbraw/zinc/99/92/48/905999248.db2.gz	NWAHQORFWNGLPV-DBXWQHBBSA-N	1	0	370.497	1.549	20	30		FDEDRO
COc1ccccc1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107616838	906011745	/nfs/dbraw/zinc/01/17/45/906011745.db2.gz	MUMMZIGBIHODHH-YLJYHZDGSA-N	1	0	370.453	1.309	20	30		FDEDRO
Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)cc1	ZINC001107617276	906014154	/nfs/dbraw/zinc/01/41/54/906014154.db2.gz	BQVCDJFHSYKOPV-YLJYHZDGSA-N	1	0	354.454	1.609	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCC(=O)N3CCOCC3)CCC[C@@H]12	ZINC001107625808	906040510	/nfs/dbraw/zinc/04/05/10/906040510.db2.gz	PAJKEEPPXXIJEX-YLJYHZDGSA-N	1	0	361.486	1.010	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CCC)NC(N)=O)CCC[C@@H]12	ZINC001107620235	906053712	/nfs/dbraw/zinc/05/37/12/906053712.db2.gz	FETFHDNBQJRIFE-GPMSIDNRSA-N	1	0	366.506	1.387	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)c3cc(C)oc3C)CCC[C@@H]12	ZINC001107635448	906124980	/nfs/dbraw/zinc/12/49/80/906124980.db2.gz	QSMJLRZXPRSRMT-YLJYHZDGSA-N	1	0	357.454	1.620	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cccn3CC)CCC[C@@H]12	ZINC001107633535	906152735	/nfs/dbraw/zinc/15/27/35/906152735.db2.gz	WLHZGPLMWBCWCW-YLJYHZDGSA-N	1	0	356.470	1.232	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)CCNC(=O)[C@@H]3CCCO3)CCC[C@@H]12	ZINC001107654973	906256477	/nfs/dbraw/zinc/25/64/77/906256477.db2.gz	NNHBFJTXOYIKNA-SQGPQFPESA-N	1	0	363.502	1.609	20	30		FDEDRO
Cc1ccc(=O)n(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2C)n1	ZINC001080821173	906394447	/nfs/dbraw/zinc/39/44/47/906394447.db2.gz	NVMMECVCUGMGCX-RDTXWAMCSA-N	1	0	365.437	1.060	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1OC	ZINC001082227557	906421207	/nfs/dbraw/zinc/42/12/07/906421207.db2.gz	SGBNBHOYRWGKCW-MLHJIOFPSA-N	1	0	352.475	1.210	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[C@@H]1CCCCC(=O)N1	ZINC001080849222	906438640	/nfs/dbraw/zinc/43/86/40/906438640.db2.gz	OURALWXNPUBLDY-AYOQOUSVSA-N	1	0	368.481	1.944	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(CC)C2=O)C[C@H]1C	ZINC001080851561	906446206	/nfs/dbraw/zinc/44/62/06/906446206.db2.gz	PRWWMGQXWIHQLS-ATZDWAIDSA-N	1	0	353.466	1.268	20	30		FDEDRO
C=CCCCC(=O)N1CCC(CO)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1	ZINC001080878050	906569518	/nfs/dbraw/zinc/56/95/18/906569518.db2.gz	XUUZEUJCWYUELY-DLBZAZTESA-N	1	0	365.518	1.543	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)Cc3ccccc3F)C2)C1=O	ZINC001080883511	906583609	/nfs/dbraw/zinc/58/36/09/906583609.db2.gz	FIQVJMUEYWEHLR-ZTFGCOKTSA-N	1	0	359.445	1.592	20	30		FDEDRO
C#Cc1ccccc1CC(=O)NCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001077677233	906622774	/nfs/dbraw/zinc/62/27/74/906622774.db2.gz	CMVDZKOUFXTJNU-FFZOFVMBSA-N	1	0	369.509	1.952	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)Cc3c(C)noc3C)C2)C1=O	ZINC001080928668	906704823	/nfs/dbraw/zinc/70/48/23/906704823.db2.gz	VINKMHBQAYVAPP-JLZZUVOBSA-N	1	0	360.458	1.057	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)N2CCCCCC2)CC1	ZINC000997010840	906923317	/nfs/dbraw/zinc/92/33/17/906923317.db2.gz	CBANVEGWXMCACE-MSOLQXFVSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2nnc3n2CCCC3)CC1	ZINC000997012078	906927754	/nfs/dbraw/zinc/92/77/54/906927754.db2.gz	OPGKGKKQWSRTOC-CVEARBPZSA-N	1	0	359.474	1.286	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1CCc2nncn2C1	ZINC001080990165	906959259	/nfs/dbraw/zinc/95/92/59/906959259.db2.gz	COXDGIUDYYLXGA-FHLIZLRMSA-N	1	0	364.453	1.349	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN([C@@H](C)c3noc(C)n3)C[C@H]2C)CC1	ZINC001080997862	906974436	/nfs/dbraw/zinc/97/44/36/906974436.db2.gz	MVKATTYCEDZLPJ-JKIFEVAISA-N	1	0	359.474	1.221	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1ccc(C(N)=O)nc1	ZINC001081041529	907019726	/nfs/dbraw/zinc/01/97/26/907019726.db2.gz	ATVSPPXIBGLIDX-FZKQIMNGSA-N	1	0	363.421	1.302	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1	ZINC001077708639	907036914	/nfs/dbraw/zinc/03/69/14/907036914.db2.gz	QLNAFBBSDOXIOZ-XMTFNYHQSA-N	1	0	363.889	1.246	20	30		FDEDRO
C[NH+](C)CC(C)(C)CNC(=S)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000727077486	907163504	/nfs/dbraw/zinc/16/35/04/907163504.db2.gz	INIAIOQCGONCRS-UHFFFAOYSA-N	1	0	360.531	1.538	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1c1ccccc1	ZINC001081222102	907334018	/nfs/dbraw/zinc/33/40/18/907334018.db2.gz	MFWQOQKGKHIMRA-FUHWJXTLSA-N	1	0	352.438	1.554	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@H]1c1ccccc1	ZINC001081227122	907343724	/nfs/dbraw/zinc/34/37/24/907343724.db2.gz	RCRTWGHORIRIFT-DOTOQJQBSA-N	1	0	368.437	1.260	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1OC	ZINC001082384614	907390489	/nfs/dbraw/zinc/39/04/89/907390489.db2.gz	FFXXOVNHFBFCJL-VAMGGRTRSA-N	1	0	370.497	1.748	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c(OC)ncnc2OC)C[C@H]1c1ccccc1	ZINC001081232925	907432101	/nfs/dbraw/zinc/43/21/01/907432101.db2.gz	HNLUHIDXWNOZGU-JKSUJKDBSA-N	1	0	368.437	1.878	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082413754	907633833	/nfs/dbraw/zinc/63/38/33/907633833.db2.gz	NNSJWDDLZMTYGW-CXAGYDPISA-N	1	0	367.409	1.335	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)CC1	ZINC000997141046	907665245	/nfs/dbraw/zinc/66/52/45/907665245.db2.gz	DDZVPXAXJYVBSJ-NSISKUIASA-N	1	0	356.466	1.993	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1C	ZINC001082452943	907743371	/nfs/dbraw/zinc/74/33/71/907743371.db2.gz	VUYUFZYKRUWSIK-IUODEOHRSA-N	1	0	366.425	1.189	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3c[nH]c(C)n3)C[C@H]2C)cc1C#N	ZINC001082449215	907820214	/nfs/dbraw/zinc/82/02/14/907820214.db2.gz	SPDQLZZHTDHCJC-SJKOYZFVSA-N	1	0	353.426	1.849	20	30		FDEDRO
Cc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)nnn1C	ZINC001082456582	907856530	/nfs/dbraw/zinc/85/65/30/907856530.db2.gz	OEZOVFRUSJVYNX-CXAGYDPISA-N	1	0	368.441	1.276	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3Cc2cc(C#N)ccc2F)CC[N@@H+]1C	ZINC001032410968	907892179	/nfs/dbraw/zinc/89/21/79/907892179.db2.gz	CJHMFRVMFAHQBO-XFKAJCMBSA-N	1	0	356.445	1.823	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1[NH2+]C[C@H]1COc2ccccc2O1	ZINC001082464987	907900487	/nfs/dbraw/zinc/90/04/87/907900487.db2.gz	WDGJQQNCORCFFN-UKPHBRMFSA-N	1	0	366.421	1.776	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)CCc2nnc[nH]2)C[C@H]1C	ZINC001082465660	907902849	/nfs/dbraw/zinc/90/28/49/907902849.db2.gz	KCJYFTIMLJJHGO-CZUORRHYSA-N	1	0	368.441	1.254	20	30		FDEDRO
Cc1cc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3F)C2)[nH]n1	ZINC001082470941	907914825	/nfs/dbraw/zinc/91/48/25/907914825.db2.gz	RFNZSFYXDLNKFH-KZULUSFZSA-N	1	0	355.417	1.908	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]Cc1cccc2c1OCCO2	ZINC001082480176	907947414	/nfs/dbraw/zinc/94/74/14/907947414.db2.gz	LLTAOYJBPNKDHE-CXAGYDPISA-N	1	0	366.421	1.908	20	30		FDEDRO
Cc1nn(C)c(Cl)c1C[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC001082480181	907947457	/nfs/dbraw/zinc/94/74/57/907947457.db2.gz	LOLFDGWNUNRYFY-MEBBXXQBSA-N	1	0	360.849	1.832	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)[nH]1	ZINC001082505075	908117670	/nfs/dbraw/zinc/11/76/70/908117670.db2.gz	BRSDSVIBJMYKCG-BDJLRTHQSA-N	1	0	356.405	1.303	20	30		FDEDRO
COc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)ncn1	ZINC001082515049	908180104	/nfs/dbraw/zinc/18/01/04/908180104.db2.gz	WKEFCXBQJBIJGJ-SJKOYZFVSA-N	1	0	369.400	1.746	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CC(C)(F)F)CC1	ZINC000997356947	908310738	/nfs/dbraw/zinc/31/07/38/908310738.db2.gz	HLISKHQYAOJKLP-PMPSAXMXSA-N	1	0	367.440	1.625	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O)C1CC[NH+](C)CC1	ZINC000921568701	908432620	/nfs/dbraw/zinc/43/26/20/908432620.db2.gz	PTQAVFUWKXLYME-AWEZNQCLSA-N	1	0	374.407	1.279	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc3n[nH]nc3n2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082546073	908454701	/nfs/dbraw/zinc/45/47/01/908454701.db2.gz	XHPNRHSQVUIAFQ-SJKOYZFVSA-N	1	0	361.409	1.475	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CN(Cc3ccc(C#N)cc3)CCO2)CC[N@@H+]1C	ZINC001107954288	908480540	/nfs/dbraw/zinc/48/05/40/908480540.db2.gz	MJBGLFDSOIQBGV-BSIFCXSSSA-N	1	0	370.497	1.606	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)CCc3c[nH]cn3)C[C@H]2C)cc1C#N	ZINC001082549558	908487046	/nfs/dbraw/zinc/48/70/46/908487046.db2.gz	JDXOZHPSXLSRQJ-RDTXWAMCSA-N	1	0	367.453	1.859	20	30		FDEDRO
Cc1c(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)cnn1C	ZINC001082551944	908514339	/nfs/dbraw/zinc/51/43/39/908514339.db2.gz	OWPYYJGZOLIUAH-AUUYWEPGSA-N	1	0	351.454	1.779	20	30		FDEDRO
Cc1c(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)cnn1C	ZINC001082551985	908516103	/nfs/dbraw/zinc/51/61/03/908516103.db2.gz	RHLCYBQMJMPANG-BFUOFWGJSA-N	1	0	369.444	1.919	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)C1	ZINC000997390460	908628217	/nfs/dbraw/zinc/62/82/17/908628217.db2.gz	SWAPTYKXGVPGPT-YRXWBPOGSA-N	1	0	357.498	1.626	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn3ncccc23)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082564184	908660981	/nfs/dbraw/zinc/66/09/81/908660981.db2.gz	BSJPWRPJZHEIOM-MLGOLLRUSA-N	1	0	366.450	1.913	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082569815	908721717	/nfs/dbraw/zinc/72/17/17/908721717.db2.gz	FYOBODQOGWSSOF-OBQMCUGOSA-N	1	0	361.417	1.438	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2ccnn2CCOC)C[C@H]1C	ZINC001082582255	908795710	/nfs/dbraw/zinc/79/57/10/908795710.db2.gz	KADPPOQMKBNCHP-DGCLKSJQSA-N	1	0	371.279	1.488	20	30		FDEDRO
COCCn1nccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001082582405	908796724	/nfs/dbraw/zinc/79/67/24/908796724.db2.gz	WWZUZVKLGGXQMY-CRAIPNDOSA-N	1	0	367.453	1.651	20	30		FDEDRO
Cc1cc(OCC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)no1	ZINC001082573260	908807985	/nfs/dbraw/zinc/80/79/85/908807985.db2.gz	DZSAYQQHNBGCFK-CXAGYDPISA-N	1	0	354.410	1.870	20	30		FDEDRO
Cc1ncn(C)c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC001082575647	908830270	/nfs/dbraw/zinc/83/02/70/908830270.db2.gz	RVMXVJCXVDAOIA-SJKOYZFVSA-N	1	0	355.417	1.990	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1C	ZINC001082583382	908885893	/nfs/dbraw/zinc/88/58/93/908885893.db2.gz	PEGFHPVNBQSNLW-MLGOLLRUSA-N	1	0	367.409	1.313	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cccn4nccc34)C[C@H]2C)C1=O	ZINC001082617621	909080337	/nfs/dbraw/zinc/08/03/37/909080337.db2.gz	HFGYYHXERHNUBK-HYVNUMGLSA-N	1	0	367.453	1.171	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(CC)C2)[C@H](OC)C1	ZINC001212355278	909081384	/nfs/dbraw/zinc/08/13/84/909081384.db2.gz	ZYEBIJMQBZPIIM-BRWVUGGUSA-N	1	0	353.507	1.641	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(C(CC)CC)C2)[C@H](OC)C1	ZINC001212357764	909101561	/nfs/dbraw/zinc/10/15/61/909101561.db2.gz	VXDPADYKRNZVKA-CGTJXYLNSA-N	1	0	365.518	1.805	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082632652	909188527	/nfs/dbraw/zinc/18/85/27/909188527.db2.gz	IZINGHZIWVBLCE-IUODEOHRSA-N	1	0	352.394	1.500	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2ncc(OC)cn2)C[C@H]1C	ZINC001082633296	909195858	/nfs/dbraw/zinc/19/58/58/909195858.db2.gz	DCTIJVUXIRWDGT-BXKDBHETSA-N	1	0	355.236	1.444	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc3n(n2)CCCO3)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082635289	909225289	/nfs/dbraw/zinc/22/52/89/909225289.db2.gz	ODWLNAPCTWIMLU-RDTXWAMCSA-N	1	0	365.437	1.788	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc(C(C)C)on3)C[C@H]2C)C1=O	ZINC001082670222	909486054	/nfs/dbraw/zinc/48/60/54/909486054.db2.gz	ZXYWTNQJEANFEG-IJEWVQPXSA-N	1	0	360.458	1.635	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1C	ZINC001082684824	909568582	/nfs/dbraw/zinc/56/85/82/909568582.db2.gz	PXLXPVFBUXYYCQ-IUODEOHRSA-N	1	0	369.425	1.256	20	30		FDEDRO
O=C(C#CC1CC1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3ccnc3C1)C2	ZINC000997747197	909593434	/nfs/dbraw/zinc/59/34/34/909593434.db2.gz	DQOLSGKNMMSECV-NCOADZHNSA-N	1	0	352.438	1.107	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082692742	909631337	/nfs/dbraw/zinc/63/13/37/909631337.db2.gz	NMPVCFLULNIRHZ-SRCQZFHVSA-N	1	0	358.417	1.112	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)C[C@H]1C	ZINC001082697052	909651229	/nfs/dbraw/zinc/65/12/29/909651229.db2.gz	JBZYIRARVCILRX-IXPVHAAZSA-N	1	0	358.280	1.248	20	30		FDEDRO
Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001082698182	909658386	/nfs/dbraw/zinc/65/83/86/909658386.db2.gz	TYQCXPGFRNADBK-MLGOLLRUSA-N	1	0	351.410	1.613	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[NH2+][C@@H](C)c2nnnn2C)CC1	ZINC000997782566	909689232	/nfs/dbraw/zinc/68/92/32/909689232.db2.gz	XBRUCPOBVSDSBS-IMJJTQAJSA-N	1	0	362.478	1.081	20	30		FDEDRO
C[C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082708556	909745425	/nfs/dbraw/zinc/74/54/25/909745425.db2.gz	ZYNDFLUOWXBAAG-FZKQIMNGSA-N	1	0	371.416	1.446	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCc3nn[nH]c32)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082710088	909758625	/nfs/dbraw/zinc/75/86/25/909758625.db2.gz	FZSYTYULPLLMSV-MZMPZRCHSA-N	1	0	364.453	1.733	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC[NH+](C)CC2)C3)nc1	ZINC000997882522	909863739	/nfs/dbraw/zinc/86/37/39/909863739.db2.gz	RDWATFPMYYYVFQ-NEWSRXKRSA-N	1	0	366.465	1.266	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082745993	909974247	/nfs/dbraw/zinc/97/42/47/909974247.db2.gz	BMJRMBYHCALDKU-SJKOYZFVSA-N	1	0	351.410	1.236	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnc(OC)nc2C)C1	ZINC001082752101	909999685	/nfs/dbraw/zinc/99/96/85/909999685.db2.gz	QDGQQPRZCUZCSA-YYQUZTFQSA-N	1	0	360.458	1.321	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc(C)nn3CC)C[C@H]2C)C1=O	ZINC001082760404	910035298	/nfs/dbraw/zinc/03/52/98/910035298.db2.gz	RVPJHUARJFEPSD-FVQBIDKESA-N	1	0	359.474	1.048	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cccc(OC)c3C)C[C@H]2C)C1=O	ZINC001082766526	910060583	/nfs/dbraw/zinc/06/05/83/910060583.db2.gz	CSIKBIXHIJQFMN-FHLIZLRMSA-N	1	0	371.481	1.841	20	30		FDEDRO
COc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)n1	ZINC001082785638	910131253	/nfs/dbraw/zinc/13/12/53/910131253.db2.gz	SVMFMLNFLJXSTB-SJKOYZFVSA-N	1	0	369.400	1.746	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(OC)no2)C1	ZINC001082795172	910180130	/nfs/dbraw/zinc/18/01/30/910180130.db2.gz	IMLZBKJYGTZGJC-VUNQQRPYSA-N	1	0	363.458	1.991	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3c(C)noc3CC)C2)nn1	ZINC001082791112	910192386	/nfs/dbraw/zinc/19/23/86/910192386.db2.gz	BPALUVCFNWZAJI-IUODEOHRSA-N	1	0	358.446	1.573	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082825750	910334955	/nfs/dbraw/zinc/33/49/55/910334955.db2.gz	ZFEUTBDHOPUTJE-SJKOYZFVSA-N	1	0	351.410	1.236	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccn(C)c(=O)c2)CC1	ZINC000998096037	910337547	/nfs/dbraw/zinc/33/75/47/910337547.db2.gz	ZBHFEJGJRORJQM-MSOLQXFVSA-N	1	0	359.470	1.305	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)C[C@H]1C	ZINC001082829841	910352412	/nfs/dbraw/zinc/35/24/12/910352412.db2.gz	PVVHPKUUHOWBNO-KWCYVHTRSA-N	1	0	353.854	1.117	20	30		FDEDRO
Cc1cc(=O)c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)c[nH]1	ZINC001082838760	910376866	/nfs/dbraw/zinc/37/68/66/910376866.db2.gz	PIQBZOVAJMHXNS-KZULUSFZSA-N	1	0	368.412	1.944	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CCCN(Cc2cnn(C)n2)CC1	ZINC000998129484	910424873	/nfs/dbraw/zinc/42/48/73/910424873.db2.gz	IIWDAZNNRCWPIR-KURKYZTESA-N	1	0	361.490	1.609	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ncc(Cl)n3C)C2)nc1	ZINC001082868954	910510115	/nfs/dbraw/zinc/51/01/15/910510115.db2.gz	GASDNQUZIGXHSA-IUODEOHRSA-N	1	0	357.845	1.700	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(N(C)C)nn2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082866481	910549451	/nfs/dbraw/zinc/54/94/51/910549451.db2.gz	MOGNOTOAYAWCHC-RDTXWAMCSA-N	1	0	364.453	1.665	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)cn2)C1	ZINC001082868496	910562272	/nfs/dbraw/zinc/56/22/72/910562272.db2.gz	DASHAKXTKUVRLK-RDTXWAMCSA-N	1	0	368.412	1.878	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)no1	ZINC001082917556	910906226	/nfs/dbraw/zinc/90/62/26/910906226.db2.gz	LISWYBJDVXXRBN-MLGOLLRUSA-N	1	0	367.409	1.430	20	30		FDEDRO
N#Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc4c[nH+]cn4c2)C3)c[nH]1	ZINC000998357545	910913924	/nfs/dbraw/zinc/91/39/24/910913924.db2.gz	BTAKCMAXVZLCIU-NJAFHUGGSA-N	1	0	374.404	1.710	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCC[NH+]1CCCCC1	ZINC000273070062	911024085	/nfs/dbraw/zinc/02/40/85/911024085.db2.gz	OGEQRMOMZRVYBL-UHFFFAOYSA-N	1	0	374.441	1.124	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082959540	911155150	/nfs/dbraw/zinc/15/51/50/911155150.db2.gz	VASVDFNRHFCMBB-XYPHTWIQSA-N	1	0	355.442	1.038	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C3)cc1	ZINC000998629615	911330627	/nfs/dbraw/zinc/33/06/27/911330627.db2.gz	HKLJDHQCBYSWFM-LMCOJAPRSA-N	1	0	365.477	1.871	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]C[C@H](CO)Cc1ccccc1Br	ZINC000843111584	911534030	/nfs/dbraw/zinc/53/40/30/911534030.db2.gz	UMLAUFALZBIDJA-CYBMUJFWSA-N	1	0	353.260	1.329	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2CN(Cc3ccc(C#N)s3)C[C@@H]21	ZINC001083024645	911596830	/nfs/dbraw/zinc/59/68/30/911596830.db2.gz	VIYLLEPMPIYYCD-IXDOHACOSA-N	1	0	360.483	1.126	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3c(C)nc4ccccc43)[C@H]2C1	ZINC001083075359	911700758	/nfs/dbraw/zinc/70/07/58/911700758.db2.gz	QOFIEYCBAXPPDN-RBUKOAKNSA-N	1	0	354.454	1.832	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](C[C@@H](OCC)C2CC2)C[C@H]1OC	ZINC001212409192	911714762	/nfs/dbraw/zinc/71/47/62/911714762.db2.gz	AINNCCLELHHYIF-BHIYHBOVSA-N	1	0	361.486	1.918	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cc(F)ccc2C#N)C1	ZINC000998929276	911868889	/nfs/dbraw/zinc/86/88/89/911868889.db2.gz	QUGCFOCFAMHOLF-QGOKIACBSA-N	1	0	361.417	1.580	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2([NH+](C)C)CCC2)cn1	ZINC000998954247	911923570	/nfs/dbraw/zinc/92/35/70/911923570.db2.gz	KSQGUOQAKWGSRB-SQNIBIBYSA-N	1	0	366.465	1.409	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCC[N@H+]1C	ZINC000999016131	911968900	/nfs/dbraw/zinc/96/89/00/911968900.db2.gz	NXBFQTROAKHTFF-FUMNGEBKSA-N	1	0	365.477	1.553	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)[C@H]2C1	ZINC001083092164	911977283	/nfs/dbraw/zinc/97/72/83/911977283.db2.gz	WSBVRKYZADPTQP-FGTMMUONSA-N	1	0	361.486	1.123	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)CCc3ccccc3OCC)[C@H]2C1	ZINC001083133959	912081381	/nfs/dbraw/zinc/08/13/81/912081381.db2.gz	ZHTWQMGGQIGVMS-AZUAARDMSA-N	1	0	356.466	1.953	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)Cc3ccc(NC(C)=O)cc3)[C@H]2C1	ZINC001083134061	912083100	/nfs/dbraw/zinc/08/31/00/912083100.db2.gz	FZQCIIAJYMBBGZ-RBUKOAKNSA-N	1	0	357.454	1.675	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](C[C@H]4CCNC(=O)CC4)C[C@H]32)cc1	ZINC001084567911	915400694	/nfs/dbraw/zinc/40/06/94/915400694.db2.gz	PCDGDCKVEWVWIQ-MISYRCLQSA-N	1	0	365.477	1.731	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(CO)cc4)C[C@H]32)c1	ZINC001084647973	915824812	/nfs/dbraw/zinc/82/48/12/915824812.db2.gz	OSBUEKCKJCJJKY-TZIWHRDSSA-N	1	0	361.445	1.902	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CN(C(C)=O)c3ccccc3O2)CC1	ZINC000729975979	915900244	/nfs/dbraw/zinc/90/02/44/915900244.db2.gz	RUCYQOSKQALYPH-IBGZPJMESA-N	1	0	357.454	1.957	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(Cc4ccccc4C#N)C[C@H]32)C1	ZINC001084662454	915921600	/nfs/dbraw/zinc/92/16/00/915921600.db2.gz	KODHKBNJTQKIOS-PWIZWCRZSA-N	1	0	352.482	1.933	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](NC(=O)OCC)C2)CC1	ZINC000730029070	915967296	/nfs/dbraw/zinc/96/72/96/915967296.db2.gz	BBCXVMVSZIYZAI-MRXNPFEDSA-N	1	0	352.479	1.947	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2cccc(N3C(=O)CNC3=O)c2)CC1	ZINC000730110061	916157965	/nfs/dbraw/zinc/15/79/65/916157965.db2.gz	MMHYTCRFKAHTAR-UHFFFAOYSA-N	1	0	357.414	1.515	20	30		FDEDRO
C#CCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1	ZINC000730143794	916187143	/nfs/dbraw/zinc/18/71/43/916187143.db2.gz	VPJNLZNGWGJMEG-HNNXBMFYSA-N	1	0	358.467	1.319	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cc(C(N)=O)c[nH]4)[C@@H]3C2)cc1	ZINC001084743632	916746265	/nfs/dbraw/zinc/74/62/65/916746265.db2.gz	VXYXHJBCTRQJRA-CRAIPNDOSA-N	1	0	363.421	1.332	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCOC3)C[C@H]21	ZINC001084783223	917116799	/nfs/dbraw/zinc/11/67/99/917116799.db2.gz	GTAFYZKKLPRAKP-LZLYRXPVSA-N	1	0	355.438	1.276	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@H]2CC[N@H+](CC[C@@H]3CCCO3)C[C@H]21	ZINC001084783541	917120835	/nfs/dbraw/zinc/12/08/35/917120835.db2.gz	WQVPHTHQCKOTOZ-ZIFCJYIRSA-N	1	0	369.465	1.809	20	30		FDEDRO
CC(C)[NH2+][C@H]1CCCN(CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1	ZINC000731032351	917644440	/nfs/dbraw/zinc/64/44/40/917644440.db2.gz	HVMPPOUBQYLLLS-GOEBONIOSA-N	1	0	367.453	1.974	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN([C@@H](C)c4cnccn4)C[C@H]32)CC1	ZINC001084851190	917658847	/nfs/dbraw/zinc/65/88/47/917658847.db2.gz	QYYOUOIKCZLSDO-ILZDJORESA-N	1	0	367.497	1.416	20	30		FDEDRO
CC(=O)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001084858216	917749284	/nfs/dbraw/zinc/74/92/84/917749284.db2.gz	QBVNZNPEMBWUSU-VAMGGRTRSA-N	1	0	366.465	1.602	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cccnc4)C[C@@H]32)C1=O	ZINC001084881054	917954095	/nfs/dbraw/zinc/95/40/95/917954095.db2.gz	UCMBPQLXELAOLM-JQHSSLGASA-N	1	0	354.454	1.405	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H]2CC[N@H+](Cc3cc(-c4cnn(C)c4)no3)[C@H]2C1	ZINC001084907051	918173299	/nfs/dbraw/zinc/17/32/99/918173299.db2.gz	SEDWVVKCOPOLDW-LBTNJELSSA-N	1	0	368.441	1.658	20	30		FDEDRO
c1ccc2c(c1)cnnc2N=NC1CC[NH+](CCN2CCOCC2)CC1	ZINC000731557665	918198553	/nfs/dbraw/zinc/19/85/53/918198553.db2.gz	VQYBATXNUNYBPT-UHFFFAOYSA-N	1	0	354.458	1.826	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4n[nH]c(C)c4C)C[C@@H]32)C1=O	ZINC001084908497	918221353	/nfs/dbraw/zinc/22/13/53/918221353.db2.gz	GREHSGYFXTZMSB-BBWFWOEESA-N	1	0	371.485	1.350	20	30		FDEDRO
Cn1oc(C(=O)N2CC[C@H]3CC[N@H+](Cc4cccc(C#N)c4)[C@H]3C2)cc1=O	ZINC001084928745	918375899	/nfs/dbraw/zinc/37/58/99/918375899.db2.gz	DEIPQPJYLHRJFH-SJORKVTESA-N	1	0	366.421	1.587	20	30		FDEDRO
CCn1nncc1C(=O)N1CC[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@H]2C1	ZINC001084935854	918500971	/nfs/dbraw/zinc/50/09/71/918500971.db2.gz	IMVHLSSZHSDIIG-MJGOQNOKSA-N	1	0	364.453	1.906	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2CC[N@@H+](C[C@@H](O)Cc3ccccc3)[C@H]2C1	ZINC001084937821	918580290	/nfs/dbraw/zinc/58/02/90/918580290.db2.gz	FXPQKBPBUNOHNM-HKBOAZHASA-N	1	0	352.478	1.926	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCn3cncn3)[C@H]2C1	ZINC001084943104	918609230	/nfs/dbraw/zinc/60/92/30/918609230.db2.gz	HJNUTXYZEPKRJN-BDXSIMOUSA-N	1	0	359.474	1.182	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(=O)[nH]c4ncn(C)c43)C[C@@H]21	ZINC001084955979	918792551	/nfs/dbraw/zinc/79/25/51/918792551.db2.gz	LAFCTDVLWJCRHO-HIFRSBDPSA-N	1	0	355.442	1.786	20	30		FDEDRO
COCCOc1ccc(C(C)=NNC(=S)NCCC[NH+](C)C)cc1	ZINC000731929352	918850219	/nfs/dbraw/zinc/85/02/19/918850219.db2.gz	VZNXTVZNMFBRGP-UHFFFAOYSA-N	1	0	352.504	1.852	20	30		FDEDRO
C[NH+](C)CCCNC(=S)NN=Cc1ccc(OC[C@@H]2CCCO2)cc1	ZINC000731930646	918852130	/nfs/dbraw/zinc/85/21/30/918852130.db2.gz	GOEOQFYEDHZRCC-KRWDZBQOSA-N	1	0	364.515	1.994	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3c3ncccn3)C[C@@H]21	ZINC001084962120	918871933	/nfs/dbraw/zinc/87/19/33/918871933.db2.gz	SUQTWZTUSZTJHQ-SQNIBIBYSA-N	1	0	355.486	1.944	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3sccc3-n3ccnn3)C[C@@H]21	ZINC001084966939	918919901	/nfs/dbraw/zinc/91/99/01/918919901.db2.gz	VDJIZEPKYOZKMT-ZBFHGGJFSA-N	1	0	355.467	1.889	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4[nH]c(C)cc4C)C[C@@H]32)C1=O	ZINC001084972758	918984518	/nfs/dbraw/zinc/98/45/18/918984518.db2.gz	ZIJAQYISAHVNQW-KSZLIROESA-N	1	0	370.497	1.955	20	30		FDEDRO
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)CCCN1CC[NH+](C)CC1	ZINC000732114439	919095029	/nfs/dbraw/zinc/09/50/29/919095029.db2.gz	MGIXRCXGNUSPBG-UHFFFAOYSA-N	1	0	369.469	1.960	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3sccc3-n3cnnn3)C[C@@H]21	ZINC001084980434	919140769	/nfs/dbraw/zinc/14/07/69/919140769.db2.gz	WVVLXPJLXIRIMN-HIFRSBDPSA-N	1	0	358.471	1.836	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cn(C)nc3[C@@H]3CCOC3)C[C@@H]21	ZINC001084999513	919410916	/nfs/dbraw/zinc/41/09/16/919410916.db2.gz	FCCPSPIECOGNCC-NUJGCVRESA-N	1	0	356.470	1.484	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CCNC4=O)C[C@@H]32)cc1	ZINC001085005360	919506055	/nfs/dbraw/zinc/50/60/55/919506055.db2.gz	RPNLEVJCUHFCJG-SQNIBIBYSA-N	1	0	352.438	1.117	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3cc(=O)n4nccc4[nH]3)[C@H]2C1	ZINC001085006441	919570621	/nfs/dbraw/zinc/57/06/21/919570621.db2.gz	XXCJWDVWYARCCO-ZBFHGGJFSA-N	1	0	369.469	1.658	20	30		FDEDRO
C[C@H](CNC(=O)NCCNC(=O)C1N=CC=CC1=O)[N@@H+]1CCCC[C@H]1C	ZINC000732450597	919593602	/nfs/dbraw/zinc/59/36/02/919593602.db2.gz	NZEZOEQILUAHRU-SZGQWAQFSA-N	1	0	363.462	1.075	20	30		FDEDRO
C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC000732463406	919642078	/nfs/dbraw/zinc/64/20/78/919642078.db2.gz	ITYLNEVNXRNXMF-GUUPXCIISA-N	1	0	363.462	1.075	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCc3ccnn3C)[C@H]2C1	ZINC001085038173	919967179	/nfs/dbraw/zinc/96/71/79/919967179.db2.gz	ZNZPIPSUWDQQEL-YSHGAJCASA-N	1	0	358.486	1.477	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N(C)C)[C@H]3C2)cc1	ZINC001085050908	920088465	/nfs/dbraw/zinc/08/84/65/920088465.db2.gz	IYFMWUWGXRIYET-APWZRJJASA-N	1	0	369.465	1.323	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)C[C@@H]21	ZINC001085054865	920171118	/nfs/dbraw/zinc/17/11/18/920171118.db2.gz	ZJRJEOUJCGMZRO-AKHDSKFASA-N	1	0	356.470	1.234	20	30		FDEDRO
Cc1nonc1CC(=O)N1CC[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@H]2C1	ZINC001085066351	920387193	/nfs/dbraw/zinc/38/71/93/920387193.db2.gz	DCJHJBDNLYSLBH-MJGOQNOKSA-N	1	0	365.437	1.915	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)CCc3nc4cc[nH]cc-4n3)C[C@@H]21	ZINC001085070441	920402490	/nfs/dbraw/zinc/40/24/90/920402490.db2.gz	FOFWORAZJIHJIY-QAPCUYQASA-N	1	0	351.454	1.837	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn(C4CCOCC4)nn3)C[C@@H]21	ZINC001085070832	920405770	/nfs/dbraw/zinc/40/57/70/920405770.db2.gz	XJTVHROXMCOZMT-QAPCUYQASA-N	1	0	359.474	1.742	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CCC(=O)N4)C[C@@H]32)cc1	ZINC001085078842	920546718	/nfs/dbraw/zinc/54/67/18/920546718.db2.gz	QDVVETJDAHBIFL-SQNIBIBYSA-N	1	0	352.438	1.260	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3nc4nc(C)cc(C)n4n3)C[C@@H]21	ZINC001085087204	920727504	/nfs/dbraw/zinc/72/75/04/920727504.db2.gz	BJWAZIXMYACDCG-CVEARBPZSA-N	1	0	352.442	1.301	20	30		FDEDRO
COc1ccc(C(C)=NNCCS(C)(=O)=O)cc1C[NH+]1CCCC1	ZINC000733204265	920742675	/nfs/dbraw/zinc/74/26/75/920742675.db2.gz	LFKDVLJGGFRXPC-UHFFFAOYSA-N	1	0	353.488	1.649	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1nnn(C)c1C	ZINC001085157902	921863917	/nfs/dbraw/zinc/86/39/17/921863917.db2.gz	BIFWJWCNJVYXMZ-VXGBXAGGSA-N	1	0	356.268	1.663	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cncc(F)c2)C1=O	ZINC001085167065	921927266	/nfs/dbraw/zinc/92/72/66/921927266.db2.gz	FNHZUNMEHYIWTD-ZACQAIPSSA-N	1	0	360.433	1.638	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)nn1	ZINC001085173730	921968908	/nfs/dbraw/zinc/96/89/08/921968908.db2.gz	IMMVHEMYNFJWFP-HUUCEWRRSA-N	1	0	354.414	1.516	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cn(CC3CC3)nn2)c[nH]1	ZINC001085174522	921993014	/nfs/dbraw/zinc/99/30/14/921993014.db2.gz	FSHMNOGMLHLYCS-QZTJIDSGSA-N	1	0	367.457	1.719	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCc3ncnn32)c[nH]1	ZINC001085176353	922005963	/nfs/dbraw/zinc/00/59/63/922005963.db2.gz	AWUZLUMWQHYZNV-ARFHVFGLSA-N	1	0	353.430	1.296	20	30		FDEDRO
CCc1nnc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(C#N)c2)[nH]1	ZINC001085176567	922005990	/nfs/dbraw/zinc/00/59/90/922005990.db2.gz	MSOCLFSMFRISMY-NILFDRSVSA-N	1	0	355.446	1.959	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2nccc(C)n2)C1=O	ZINC001085185888	922107589	/nfs/dbraw/zinc/10/75/89/922107589.db2.gz	PVJAMFBJPRPQDY-OAGGEKHMSA-N	1	0	357.458	1.203	20	30		FDEDRO
CC1CC[NH+](CCCCNC(=O)CCNC(=O)C2N=CC=CC2=O)CC1	ZINC000733890745	922274352	/nfs/dbraw/zinc/27/43/52/922274352.db2.gz	UBBZDJFSQBTEDU-HNENSFHCSA-N	1	0	362.474	1.531	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2nn(C)cc2C)C1=O	ZINC001085195597	922426039	/nfs/dbraw/zinc/42/60/39/922426039.db2.gz	FLXWKQUHQZAUIT-BZUAXINKSA-N	1	0	359.474	1.146	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)nn1	ZINC001085229798	922983530	/nfs/dbraw/zinc/98/35/30/922983530.db2.gz	KSGRINIADDRIDV-KURKYZTESA-N	1	0	371.485	1.100	20	30		FDEDRO
Cn1cnc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)s2)cc1=O	ZINC001085230103	922987496	/nfs/dbraw/zinc/98/74/96/922987496.db2.gz	BXJWZLOJNHABMZ-HUUCEWRRSA-N	1	0	371.466	1.544	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC000734216475	923073065	/nfs/dbraw/zinc/07/30/65/923073065.db2.gz	TULGFWFDKDRWQO-ROUUACIJSA-N	1	0	357.454	1.439	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1Cc2cncn2C(=O)N1	ZINC001085281875	923486118	/nfs/dbraw/zinc/48/61/18/923486118.db2.gz	OZAVBCFSHYUAFC-MCIONIFRSA-N	1	0	351.838	1.135	20	30		FDEDRO
C[C@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)CNC(=O)C1	ZINC001085283226	923503536	/nfs/dbraw/zinc/50/35/36/923503536.db2.gz	HABDZXHIQKRRET-MBOZVWFJSA-N	1	0	354.454	1.601	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCNC(=O)CC1	ZINC001085286265	923527231	/nfs/dbraw/zinc/52/72/31/923527231.db2.gz	ZAURXCSNFXQWDY-ATZDWAIDSA-N	1	0	368.481	1.992	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCS(=O)(=O)C2)C1	ZINC001085325425	923914519	/nfs/dbraw/zinc/91/45/19/923914519.db2.gz	NRTKRBVTIUZRIN-BZUAXINKSA-N	1	0	354.516	1.794	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)nn1	ZINC001085338227	924020980	/nfs/dbraw/zinc/02/09/80/924020980.db2.gz	VBGLYGWNNGDSFE-VQHPVUNQSA-N	1	0	360.458	1.593	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnc(C)o2)nn1	ZINC001085358758	924173342	/nfs/dbraw/zinc/17/33/42/924173342.db2.gz	RDIGRHJFKURQAD-HZPDHXFCSA-N	1	0	358.446	1.981	20	30		FDEDRO
CC(CS(=O)(=O)c1ccccc1)=NNC(=S)NCCC[NH+](C)C	ZINC000735406668	924324851	/nfs/dbraw/zinc/32/48/51/924324851.db2.gz	LEPRXZFOFRCTCZ-UHFFFAOYSA-N	1	0	356.517	1.252	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c[nH]nc2C2CC2)C1=O	ZINC001085381793	924348720	/nfs/dbraw/zinc/34/87/20/924348720.db2.gz	XHCZGXJFQSOLEV-ZACQAIPSSA-N	1	0	371.485	1.705	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccn(C)n1	ZINC001085397575	924443676	/nfs/dbraw/zinc/44/36/76/924443676.db2.gz	PGSNEVXFWQJVKK-QZTJIDSGSA-N	1	0	367.453	1.658	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc(C)n2CC)nc1	ZINC001085398368	924448338	/nfs/dbraw/zinc/44/83/38/924448338.db2.gz	DIWIETPXJTZXLQ-IAGOWNOFSA-N	1	0	366.469	1.814	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]3CN(c4cnc(C#N)cn4)C[C@H]32)CC[N@@H+]1C	ZINC001066252978	924513087	/nfs/dbraw/zinc/51/30/87/924513087.db2.gz	DIELDBNKXNZKAP-YALNPMBYSA-N	1	0	354.458	1.116	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)CCNC(=O)C1N=CC=CC1=O)Cc1ccccc1	ZINC000735834727	924591961	/nfs/dbraw/zinc/59/19/61/924591961.db2.gz	GIPCQSOHPXDFQN-JVMRMLDLSA-N	1	0	370.453	1.192	20	30		FDEDRO
C[NH+](C)[C@@H]1CCCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1	ZINC000738143694	925102398	/nfs/dbraw/zinc/10/23/98/925102398.db2.gz	HFNJOZSUFIOTHP-APWZRJJASA-N	1	0	355.442	1.309	20	30		FDEDRO
C=CC1(CC(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2n2ccnn2)CCCCC1	ZINC001129322819	925288552	/nfs/dbraw/zinc/28/85/52/925288552.db2.gz	YVEWUVYSEDFIGT-ZACQAIPSSA-N	1	0	361.490	1.527	20	30		FDEDRO
CC[N@@H+]1C[C@H](C)N(CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C[C@H]1C	ZINC000766251726	925377159	/nfs/dbraw/zinc/37/71/59/925377159.db2.gz	DTRNNKSSZHFVFH-YCPHGPKFSA-N	1	0	367.453	1.926	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)C2CCN(C(=O)N(CC)CC)CC2)CC1	ZINC000740738031	925422120	/nfs/dbraw/zinc/42/21/20/925422120.db2.gz	RLHJQKKTWOEIFD-UHFFFAOYSA-N	1	0	362.518	1.764	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CS(=O)(=O)NC2CCC(C)CC2)CC1	ZINC000740738785	925430304	/nfs/dbraw/zinc/43/03/04/925430304.db2.gz	MQBQHTWWMBMRGB-UHFFFAOYSA-N	1	0	369.531	1.088	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000740893400	925490888	/nfs/dbraw/zinc/49/08/88/925490888.db2.gz	LHMWKHJUQUIDDY-KRWDZBQOSA-N	1	0	363.483	1.788	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)c2c(C)n[nH]c2C)[C@@H](n2ccnn2)C1	ZINC001129326185	925901739	/nfs/dbraw/zinc/90/17/39/925901739.db2.gz	CKRPSFLPPNGNDY-XKQJLSEDSA-N	1	0	371.489	1.729	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CCNc3cnc(C#N)cn3)C2)CC[N@@H+]1C	ZINC001066393351	925968076	/nfs/dbraw/zinc/96/80/76/925968076.db2.gz	HOENRBBFAVBJOK-BHYGNILZSA-N	1	0	356.474	1.729	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC(C)CC2)C1	ZINC001086201706	926284236	/nfs/dbraw/zinc/28/42/36/926284236.db2.gz	NHLOVUKORZKZKB-XDNAFOTISA-N	1	0	363.502	1.320	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3ccco3)C2)C1=O	ZINC001086205650	926298101	/nfs/dbraw/zinc/29/81/01/926298101.db2.gz	CIKZRTQAWQBYNF-ZHCJQAHYSA-N	1	0	357.454	1.654	20	30		FDEDRO
CC[N@H+](C)C[C@@H]1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1	ZINC000743399765	926348215	/nfs/dbraw/zinc/34/82/15/926348215.db2.gz	XORAZHHPQNXLSM-JXFKEZNVSA-N	1	0	369.469	1.556	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC[N@H+]2CCC[C@H]2C)cc1	ZINC000743982480	926538739	/nfs/dbraw/zinc/53/87/39/926538739.db2.gz	PQEYZAJLRZTAKY-CQSZACIVSA-N	1	0	358.442	1.141	20	30		FDEDRO
C=C(Br)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1	ZINC001086392236	926995541	/nfs/dbraw/zinc/99/55/41/926995541.db2.gz	DIXCEUHYBIQMIZ-FDYHWXHSSA-N	1	0	353.264	1.906	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)CCNC(=O)C1N=CC=CC1=O)c1ccsc1	ZINC000746118104	927624374	/nfs/dbraw/zinc/62/43/74/927624374.db2.gz	KZQXAPBBPIIAKF-WPCFGXOUSA-N	1	0	362.455	1.384	20	30		FDEDRO
C#CCN(C(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000746150850	927641091	/nfs/dbraw/zinc/64/10/91/927641091.db2.gz	DCPNDTYNCXDPPV-SFHVURJKSA-N	1	0	369.446	1.510	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cnn(CC)n2)C1	ZINC001086500184	927660309	/nfs/dbraw/zinc/66/03/09/927660309.db2.gz	PLKBDRLCOYQYBJ-LAQRGFTBSA-N	1	0	361.490	1.654	20	30		FDEDRO
Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2cnn(CC#N)c2)c1	ZINC000746396870	927943406	/nfs/dbraw/zinc/94/34/06/927943406.db2.gz	WUWQVHXNKPKSAE-UHFFFAOYSA-N	1	0	368.441	1.244	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)NC2CC[NH+](CCOC(C)C)CC2)CC1	ZINC000888463590	927943511	/nfs/dbraw/zinc/94/35/11/927943511.db2.gz	YQSWRWDELHLSJK-UHFFFAOYSA-N	1	0	353.507	1.988	20	30		FDEDRO
N#CCn1cc(NC(=O)C(=O)NC2CC[NH+](C3CCCCC3)CC2)cn1	ZINC000746432191	927978439	/nfs/dbraw/zinc/97/84/39/927978439.db2.gz	KRGWLXWBRRPXMB-UHFFFAOYSA-N	1	0	358.446	1.258	20	30		FDEDRO
C[NH+](C)CCCC1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1	ZINC000766443969	928046899	/nfs/dbraw/zinc/04/68/99/928046899.db2.gz	VVNSNMDTPAFPRA-UHFFFAOYSA-N	1	0	350.488	1.764	20	30		FDEDRO
N#C/N=C1\SCCN1Cc1ccc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)nc1	ZINC001168807879	928109898	/nfs/dbraw/zinc/10/98/98/928109898.db2.gz	KMOSBZWEGGSBEP-GICLCMKGSA-N	1	0	353.455	1.469	20	30		FDEDRO
C#CC1CC[NH+]([C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1	ZINC001169213133	928344097	/nfs/dbraw/zinc/34/40/97/928344097.db2.gz	PEAJGCLSASGYTD-OAHLLOKOSA-N	1	0	371.485	1.338	20	30		FDEDRO
COc1ccc(C(=NO)Nc2ccc3nc([C@@H]4CC[NH2+]C4)nn3c2)nc1	ZINC001169608425	928788642	/nfs/dbraw/zinc/78/86/42/928788642.db2.gz	MRGZYMPBPXYNOD-LLVKDONJSA-N	1	0	353.386	1.458	20	30		FDEDRO
C=CCCC[NH+]1CC(N2C[C@@H](NC(=O)[C@]34CCC[C@H]3OCC4)CC2=O)C1	ZINC001108555477	928910403	/nfs/dbraw/zinc/91/04/03/928910403.db2.gz	PNLYLRINZZIDTR-VPWXQRGCSA-N	1	0	361.486	1.313	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](c2cccnc2)C(C)C)[C@@H](n2ccnn2)C1	ZINC001129348544	928929062	/nfs/dbraw/zinc/92/90/62/928929062.db2.gz	SLGTUSWNANASAU-CEXWTWQISA-N	1	0	366.469	1.478	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)COCc2ccncc2)[C@@H](n2ccnn2)C1	ZINC001129348559	928929910	/nfs/dbraw/zinc/92/99/10/928929910.db2.gz	SVQCSPQWYWKMDX-MSOLQXFVSA-N	1	0	370.457	1.198	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N(C)CCCC[NH+](C)C)ccc1F	ZINC000740710199	928975670	/nfs/dbraw/zinc/97/56/70/928975670.db2.gz	FDCHEYKBLZARHY-UHFFFAOYSA-N	1	0	371.478	1.704	20	30		FDEDRO
N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)CCc1ccccc1	ZINC001108951944	929568077	/nfs/dbraw/zinc/56/80/77/929568077.db2.gz	LGSYKGCKGBYOLX-XWSJACJDSA-N	1	0	373.522	1.958	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncc3cc(C)cnc31)C2	ZINC001109529070	929683970	/nfs/dbraw/zinc/68/39/70/929683970.db2.gz	VYKLJBNXPXYCDX-SQNIBIBYSA-N	1	0	369.469	1.664	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CCC)S(N)(=O)=O)C2	ZINC001109559567	929757019	/nfs/dbraw/zinc/75/70/19/929757019.db2.gz	HJNUYCRVEVUSSW-QZWWFDLISA-N	1	0	371.547	1.912	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH+]2CCC(CO)(Cc3ccccc3)CC2)CC1	ZINC000770000879	929792465	/nfs/dbraw/zinc/79/24/65/929792465.db2.gz	KSLGKOLVTMDCBJ-UHFFFAOYSA-N	1	0	369.509	1.081	20	30		FDEDRO
CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCC(C)C	ZINC001109625003	929951437	/nfs/dbraw/zinc/95/14/37/929951437.db2.gz	LWNMSYCRZNJNAW-XWSJACJDSA-N	1	0	350.503	1.935	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)N(C)CC(F)(F)F)C2	ZINC001109639701	929972757	/nfs/dbraw/zinc/97/27/57/929972757.db2.gz	ZMDIPBNAJIUNHZ-KBXIAJHMSA-N	1	0	363.424	1.793	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCS(N)(=O)=O)C2	ZINC001109659773	930065504	/nfs/dbraw/zinc/06/55/04/930065504.db2.gz	FGHNHWVXGLPNBX-PMPSAXMXSA-N	1	0	359.536	1.747	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCNC(C)=O	ZINC001109676986	930087509	/nfs/dbraw/zinc/08/75/09/930087509.db2.gz	DHQPNYIJFWTSCW-DFEOGRTESA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCNC(C)=O)CCC1	ZINC001109683584	930124342	/nfs/dbraw/zinc/12/43/42/930124342.db2.gz	RZTORGBHBNADOE-SQNIBIBYSA-N	1	0	363.502	1.607	20	30		FDEDRO
COC[C@@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OCC#N)cc1	ZINC001109695799	930164692	/nfs/dbraw/zinc/16/46/92/930164692.db2.gz	HVBJDMSAJVTEKD-XGXHKWSGSA-N	1	0	373.453	1.472	20	30		FDEDRO
COC[C@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OCC#N)cc1	ZINC001109695798	930165086	/nfs/dbraw/zinc/16/50/86/930165086.db2.gz	HVBJDMSAJVTEKD-BVBHFADKSA-N	1	0	373.453	1.472	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CCc1ccccc1)C2	ZINC001109728790	930259999	/nfs/dbraw/zinc/25/99/99/930259999.db2.gz	CIJSSMISKSSIGY-HKBOAZHASA-N	1	0	369.509	1.532	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccc(S(=O)(=O)N(C)C)o1	ZINC000770801343	930265326	/nfs/dbraw/zinc/26/53/26/930265326.db2.gz	HLDLOEQBDZFTIP-ZDUSSCGKSA-N	1	0	356.444	1.420	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1COC(=O)C(C)(C)N1C(=O)c2ccccc2C1=O	ZINC000770861451	930289980	/nfs/dbraw/zinc/28/99/80/930289980.db2.gz	IGMFKAWNGHSTNZ-AWEZNQCLSA-N	1	0	354.406	1.702	20	30		FDEDRO
CCOC(=O)CON=C(C(=O)Nc1ccccc1C[NH+](C)C)c1cc[nH]n1	ZINC000770833369	930298832	/nfs/dbraw/zinc/29/88/32/930298832.db2.gz	NZUCGBJTQBSDNR-UHFFFAOYSA-N	1	0	373.413	1.394	20	30		FDEDRO
C=CCNc1ncc(C(=O)NCC2CC[NH+](CCN(C)C)CC2)s1	ZINC000771016040	930386112	/nfs/dbraw/zinc/38/61/12/930386112.db2.gz	MNCSIKIGTJINPX-UHFFFAOYSA-N	1	0	351.520	1.744	20	30		FDEDRO
COCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1	ZINC001109791290	930447757	/nfs/dbraw/zinc/44/77/57/930447757.db2.gz	VTTYOIWBEFQKRS-OAOYMFHYSA-N	1	0	357.454	1.831	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C(F)(F)F)n[nH]1)C2	ZINC001109838619	930548524	/nfs/dbraw/zinc/54/85/24/930548524.db2.gz	NQJPSAGPWDQCGZ-MDZLAQPJSA-N	1	0	358.364	1.966	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3cncn3)n1)C2	ZINC001109904208	930720786	/nfs/dbraw/zinc/72/07/86/930720786.db2.gz	FPJXQEQVRLSRNF-PVAVHDDUSA-N	1	0	352.442	1.964	20	30		FDEDRO
C#C[C@H](C)[NH2+][C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1	ZINC001170027974	930723367	/nfs/dbraw/zinc/72/33/67/930723367.db2.gz	XYXREVQNNVQFDM-IHRRRGAJSA-N	1	0	353.488	1.509	20	30		FDEDRO
C[NH+]1CCN(c2ccc(C=NNC(=S)NC[C@H]3CCCO3)cc2)CC1	ZINC000771555932	930738655	/nfs/dbraw/zinc/73/86/55/930738655.db2.gz	RDBFFDINVNCDRO-QGZVFWFLSA-N	1	0	361.515	1.415	20	30		FDEDRO
C[NH+]1CCN(c2ccc(C=[NH+][N-]c3ccc(-n4cccn4)nn3)cc2)CC1	ZINC000771562899	930743311	/nfs/dbraw/zinc/74/33/11/930743311.db2.gz	FZZVPHASKZEKLY-UHFFFAOYSA-N	1	0	362.441	1.860	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCc1nncn1C)C2	ZINC001109912169	930746670	/nfs/dbraw/zinc/74/66/70/930746670.db2.gz	VNSLFSOMPHMCIE-IKGGRYGDSA-N	1	0	361.490	1.800	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nccn3cc(C)nc13)C2	ZINC001109938012	930843749	/nfs/dbraw/zinc/84/37/49/930843749.db2.gz	PARSXOFHTFDMSF-PMPSAXMXSA-N	1	0	355.442	1.575	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@@H](CCO)C2CC2)CC1	ZINC000771796553	930892895	/nfs/dbraw/zinc/89/28/95/930892895.db2.gz	QSRKTZQKVHVKKH-JKSUJKDBSA-N	1	0	362.499	1.208	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c(C)nn(CC)c1C)C2	ZINC001109988160	930959366	/nfs/dbraw/zinc/95/93/66/930959366.db2.gz	ZUIDLAQHTGGOAF-NEWSRXKRSA-N	1	0	360.502	1.986	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2	ZINC001109982928	930965658	/nfs/dbraw/zinc/96/56/58/930965658.db2.gz	YRFGDIUGBHSTTE-SQNIBIBYSA-N	1	0	372.513	1.004	20	30		FDEDRO
CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1)C(C)C	ZINC001110008912	931075339	/nfs/dbraw/zinc/07/53/39/931075339.db2.gz	VIBLFOWUYBMTSP-FUMNGEBKSA-N	1	0	368.481	1.940	20	30		FDEDRO
CNC(=O)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)CCC1	ZINC001110012331	931079018	/nfs/dbraw/zinc/07/90/18/931079018.db2.gz	QGHYLVKLZBPIKM-SQNIBIBYSA-N	1	0	366.465	1.696	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCc2ccc(NS(C)(=O)=O)cc2)CC1	ZINC000772109490	931079969	/nfs/dbraw/zinc/07/99/69/931079969.db2.gz	JMTBHWFYNWEDON-UHFFFAOYSA-N	1	0	350.440	1.447	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)CC1	ZINC000772119198	931086198	/nfs/dbraw/zinc/08/61/98/931086198.db2.gz	FMFCGZQVVSIXQH-YJBOKZPZSA-N	1	0	370.449	1.903	20	30		FDEDRO
C=CCN1CC[C@H](N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[N@@H+](C)CCC)C3)C1=O	ZINC001110018077	931114268	/nfs/dbraw/zinc/11/42/68/931114268.db2.gz	ZYUCOAZCPWETSQ-OWSLCNJRSA-N	1	0	362.518	1.227	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](CCCC)C(N)=O	ZINC001110034686	931155423	/nfs/dbraw/zinc/15/54/23/931155423.db2.gz	JOFPNSZOPQQEQB-FUMNGEBKSA-N	1	0	367.493	1.976	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@]1(C)CCS(=O)(=O)N1)C2	ZINC001110034825	931155463	/nfs/dbraw/zinc/15/54/63/931155463.db2.gz	POCQWJGWEXMOMY-AESZEHBQSA-N	1	0	355.504	1.146	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)c1cccs1)C2	ZINC001110061390	931293293	/nfs/dbraw/zinc/29/32/93/931293293.db2.gz	OSLPAUPBHZOWRZ-ILXRZTDVSA-N	1	0	363.483	1.402	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1C(=O)CN(C)C1=O)C2	ZINC001110074433	931385151	/nfs/dbraw/zinc/38/51/51/931385151.db2.gz	UDMUBTUPEKKVEL-PMPSAXMXSA-N	1	0	362.474	1.348	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc3n[nH]c(=O)n3c1)C2	ZINC001112545397	931428583	/nfs/dbraw/zinc/42/85/83/931428583.db2.gz	HWTRCAKXRWHRJQ-KXBFYZLASA-N	1	0	353.426	1.290	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc3n[nH]c(=O)n3c1)C2	ZINC001112545488	931429692	/nfs/dbraw/zinc/42/96/92/931429692.db2.gz	MPRYJYRVLGZIRS-KXBFYZLASA-N	1	0	355.442	1.843	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1ccco1)C2	ZINC001112549955	931517675	/nfs/dbraw/zinc/51/76/75/931517675.db2.gz	YOXDXOUJBSOQEU-FTRWYGJKSA-N	1	0	357.454	1.178	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC(=O)NCC(F)(F)F)C2	ZINC001112554477	931520309	/nfs/dbraw/zinc/52/03/09/931520309.db2.gz	SWOVOSJEKPYAEH-BBRMVZONSA-N	1	0	361.408	1.849	20	30		FDEDRO
C=C(Br)COC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1	ZINC000785650577	931525398	/nfs/dbraw/zinc/52/53/98/931525398.db2.gz	BXNSXLGHPRKHII-QWHCGFSZSA-N	1	0	359.264	1.771	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)OC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1	ZINC000785712700	931581740	/nfs/dbraw/zinc/58/17/40/931581740.db2.gz	VOBGFJWLFUQPSX-OAHLLOKOSA-N	1	0	358.438	1.186	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(C)c(C(=O)N3CCOCC3)c2)CC1	ZINC000785757529	931589006	/nfs/dbraw/zinc/58/90/06/931589006.db2.gz	VXFKDGYTSXVCLM-UHFFFAOYSA-N	1	0	369.465	1.751	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@H](C)OC)C1	ZINC001112565204	931610648	/nfs/dbraw/zinc/61/06/48/931610648.db2.gz	PBBUUCODXVHYFD-FIKGOQFSSA-N	1	0	371.481	1.960	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC(=O)NCCC)C2	ZINC001112565432	931613737	/nfs/dbraw/zinc/61/37/37/931613737.db2.gz	BFCRQRWTRMZZBW-PXNSSMCTSA-N	1	0	365.518	1.714	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@@H](C)C(=O)NC)C2)cn1	ZINC001112566329	931618388	/nfs/dbraw/zinc/61/83/88/931618388.db2.gz	XKYCPSZNUBVRNK-UVFQYZLESA-N	1	0	354.454	1.029	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccccc1OC)C2	ZINC001112568330	931630244	/nfs/dbraw/zinc/63/02/44/931630244.db2.gz	KIAUHTWXJFYNGH-KKSFZXQISA-N	1	0	369.465	1.277	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)C)C2	ZINC001112567215	931640873	/nfs/dbraw/zinc/64/08/73/931640873.db2.gz	CPHDVWPYBSBZGC-LIRRHRJNSA-N	1	0	364.490	1.263	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)C(N)=O)C1	ZINC001112569602	931662663	/nfs/dbraw/zinc/66/26/63/931662663.db2.gz	GEDOEAVZCPYVDO-XERREHJYSA-N	1	0	353.466	1.303	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)C(=O)NC)C1	ZINC001112569785	931663083	/nfs/dbraw/zinc/66/30/83/931663083.db2.gz	OSMPEMAFDXKMPQ-WVBUVRCRSA-N	1	0	367.493	1.563	20	30		FDEDRO
Cc1cccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)c1C	ZINC001112572904	931670711	/nfs/dbraw/zinc/67/07/11/931670711.db2.gz	ZDAQQHZYJJOERN-UWJYYQICSA-N	1	0	368.481	1.775	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC(=O)N1CCOCC1)C2	ZINC001112574327	931683433	/nfs/dbraw/zinc/68/34/33/931683433.db2.gz	BGQGQWNBKSJHGM-PXNSSMCTSA-N	1	0	363.502	1.420	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c(C)cc(=O)[nH]c1C)C2	ZINC001112582910	931751421	/nfs/dbraw/zinc/75/14/21/931751421.db2.gz	VVQOAQXBHRPCPM-UWJYYQICSA-N	1	0	371.481	1.886	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCN1C(=O)C(C)C)C2	ZINC001112580914	931762466	/nfs/dbraw/zinc/76/24/66/931762466.db2.gz	MNPDIIFDMLJISS-WFXMLNOXSA-N	1	0	359.514	1.875	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC)C1	ZINC001112585508	931765495	/nfs/dbraw/zinc/76/54/95/931765495.db2.gz	BSXFIJPLVMOXOY-KXBFYZLASA-N	1	0	350.507	1.879	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)C1CCC1)C2	ZINC001112585353	931790385	/nfs/dbraw/zinc/79/03/85/931790385.db2.gz	SJOQVZVPMOSZKR-YJBOKZPZSA-N	1	0	353.894	1.874	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccoc1C(C)C)C2	ZINC001112588059	931792643	/nfs/dbraw/zinc/79/26/43/931792643.db2.gz	FBUYPTPKYNXEMA-KKSFZXQISA-N	1	0	371.481	1.984	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cnnn2CC)C1	ZINC001112589271	931802882	/nfs/dbraw/zinc/80/28/82/931802882.db2.gz	RZIRDWWBVFZIIJ-BXWFABGCSA-N	1	0	361.490	1.607	20	30		FDEDRO
CCn1nc(C)c(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC#CCOC)C2)n1	ZINC001112592219	931827747	/nfs/dbraw/zinc/82/77/47/931827747.db2.gz	CBDMQJCRYYHYJO-LPHOPBHVSA-N	1	0	359.474	1.088	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@](F)(C#N)C3)cc2)CC1	ZINC000786444256	931919092	/nfs/dbraw/zinc/91/90/92/931919092.db2.gz	XVQZYTXIFWSFLP-LJQANCHMSA-N	1	0	373.432	1.231	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC)[C@H]1CCCO1	ZINC000786650903	931984619	/nfs/dbraw/zinc/98/46/19/931984619.db2.gz	QHOPYVSHSIZTBP-IXDOHACOSA-N	1	0	351.491	1.156	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000787107592	932182858	/nfs/dbraw/zinc/18/28/58/932182858.db2.gz	NUVPSGQUEJYTCG-NVXWUHKLSA-N	1	0	351.491	1.607	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1	ZINC000787259346	932232986	/nfs/dbraw/zinc/23/29/86/932232986.db2.gz	CKZPMZJVJMBNMK-HUUCEWRRSA-N	1	0	355.442	1.683	20	30		FDEDRO
C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NCc2cc(C#N)ccc2F)C1	ZINC000787706248	932377188	/nfs/dbraw/zinc/37/71/88/932377188.db2.gz	NJHGJOIAVICBFY-HUUCEWRRSA-N	1	0	374.460	1.798	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NCCC2CC[NH+](C)CC2)n1	ZINC000788961814	932891405	/nfs/dbraw/zinc/89/14/05/932891405.db2.gz	ZKAKAAKKBKNSBI-UHFFFAOYSA-N	1	0	361.490	1.406	20	30		FDEDRO
COc1ccc2nc(C[NH2+]CCNC(=O)C3N=CC=CC3=O)sc2c1	ZINC000788966297	932893489	/nfs/dbraw/zinc/89/34/89/932893489.db2.gz	XABITLWGCZADRH-WUKNDPDISA-N	1	0	358.423	1.921	20	30		FDEDRO
N#Cc1cccc(-c2cc(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)on2)c1	ZINC000789919617	933239006	/nfs/dbraw/zinc/23/90/06/933239006.db2.gz	PSVWXHGDUSCAKF-JKSUJKDBSA-N	1	0	352.394	1.806	20	30		FDEDRO
C=CC[C@@]1(C(=O)NC[C@](C)(O)C[NH+](C)C)CCCN1C(=O)OC(C)(C)C	ZINC000790812311	933729878	/nfs/dbraw/zinc/72/98/78/933729878.db2.gz	AXKMRXLRBXHWGW-OALUTQOASA-N	1	0	369.506	1.761	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(=O)c(OC)c[nH]2)C1	ZINC001086599587	934031752	/nfs/dbraw/zinc/03/17/52/934031752.db2.gz	XURLDMUITIXYAM-FUHWJXTLSA-N	1	0	365.433	1.605	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1	ZINC001086600154	934076490	/nfs/dbraw/zinc/07/64/90/934076490.db2.gz	CRYQBKCUYRPNMC-DLBZAZTESA-N	1	0	352.438	1.554	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1	ZINC000793853872	934301110	/nfs/dbraw/zinc/30/11/10/934301110.db2.gz	IUDBMKRIKBPUAC-UHFFFAOYSA-N	1	0	370.453	1.790	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[C@H]1CCCO1	ZINC000793932077	938340785	/nfs/dbraw/zinc/34/07/85/938340785.db2.gz	SAYKUEGNRVIMLT-WZGPROSRSA-N	1	0	369.465	1.235	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)C2(CCOC)CCCC2)[C@@H](n2ccnn2)C1	ZINC001129476410	938432370	/nfs/dbraw/zinc/43/23/70/938432370.db2.gz	HGYXCTBKFIWODR-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CCN(C(N)=O)CC2)C1	ZINC001086623041	938447325	/nfs/dbraw/zinc/44/73/25/938447325.db2.gz	HPPMQAPUZPMZND-RBUKOAKNSA-N	1	0	370.497	1.937	20	30		FDEDRO
CSCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H](n2ccnn2)C1	ZINC001129553217	938452363	/nfs/dbraw/zinc/45/23/63/938452363.db2.gz	UXTPDAWDMBTJID-SJORKVTESA-N	1	0	370.482	1.445	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cn2cccn2)C[C@@H]1n1ccnn1	ZINC001129578880	938459900	/nfs/dbraw/zinc/45/99/00/938459900.db2.gz	SWQUKACPEITATO-SJORKVTESA-N	1	0	357.462	1.263	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(C)nn2C)C[C@@H]1n1ccnn1	ZINC001129633262	938474173	/nfs/dbraw/zinc/47/41/73/938474173.db2.gz	IOLWWYTZQAMHFC-UNEWFSDZSA-N	1	0	357.462	1.330	20	30		FDEDRO
Cc1cccc(OCC[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2n2ccnn2)c1	ZINC001129691193	938486478	/nfs/dbraw/zinc/48/64/78/938486478.db2.gz	QWURMFYEMNFXPL-JQHSSLGASA-N	1	0	368.441	1.167	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]CCCCC(F)(F)F)[C@@H](n2ccnn2)C1	ZINC001129677914	938491095	/nfs/dbraw/zinc/49/10/95/938491095.db2.gz	QVTFBHDBNPUBBE-UPJWGTAASA-N	1	0	358.368	1.512	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@@H]1n1ccnn1	ZINC001129724483	938494624	/nfs/dbraw/zinc/49/46/24/938494624.db2.gz	WGDHYWHRQAZTDR-IMJJTQAJSA-N	1	0	356.430	1.389	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n3ccnn3)C2)c1	ZINC001129737650	938497371	/nfs/dbraw/zinc/49/73/71/938497371.db2.gz	SUJWQAUAHWSOBC-OLZOCXBDSA-N	1	0	367.335	1.086	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1n1ccnn1	ZINC001129748238	938506608	/nfs/dbraw/zinc/50/66/08/938506608.db2.gz	SYIQAVKHAMLKCJ-WBVHZDCISA-N	1	0	359.478	1.637	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H]([NH2+]CC2=CCCCC2)[C@@H](n2ccnn2)C1	ZINC001129788552	938516553	/nfs/dbraw/zinc/51/65/53/938516553.db2.gz	LKOSLOSTVIVQRB-AOIWGVFYSA-N	1	0	359.474	1.447	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccoc2Cl)C[C@@H]1n1ccnn1	ZINC001129788579	938516560	/nfs/dbraw/zinc/51/65/60/938516560.db2.gz	LWWFCTUNWOGAJY-KGLIPLIRSA-N	1	0	365.821	1.382	20	30		FDEDRO
CO[C@@H](C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1n1ccnn1)C1CCC1	ZINC001129822113	938521957	/nfs/dbraw/zinc/52/19/57/938521957.db2.gz	FWZDBZJMMJUCDY-SQNIBIBYSA-N	1	0	359.474	1.094	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1C[C@@H]([NH2+]CCc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129822389	938522324	/nfs/dbraw/zinc/52/23/24/938522324.db2.gz	TZTJFDPRLZADHD-MOPGFXCFSA-N	1	0	365.481	1.912	20	30		FDEDRO
Cc1cncc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@@H]2n2ccnn2)c1	ZINC001129824814	938522666	/nfs/dbraw/zinc/52/26/66/938522666.db2.gz	CQDYPMGYZCRAOH-MSOLQXFVSA-N	1	0	352.442	1.183	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CCCCCC=C)[C@@H](n2ccnn2)C1	ZINC001129829208	938523421	/nfs/dbraw/zinc/52/34/21/938523421.db2.gz	AUXFKEZKSIQDQR-KSZLIROESA-N	1	0	359.474	1.404	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H]([NH2+]CC2=CCCCC2)[C@@H](n2ccnn2)C1	ZINC001129845652	938525530	/nfs/dbraw/zinc/52/55/30/938525530.db2.gz	RKUXLWPUVSVPRY-MSOLQXFVSA-N	1	0	357.458	1.160	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cn2ccc(C)n2)C[C@@H]1n1ccnn1	ZINC001129866416	938526670	/nfs/dbraw/zinc/52/66/70/938526670.db2.gz	BBVDURLSFPIUPP-UAGQMJEPSA-N	1	0	357.462	1.037	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(OC)ns2)C[C@@H]1n1ccnn1	ZINC001129855594	938528749	/nfs/dbraw/zinc/52/87/49/938528749.db2.gz	OKOKXTSNCPTXAT-OLZOCXBDSA-N	1	0	362.459	1.365	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N2C[C@@H]([NH2+]CC=C)[C@@H](n3ccnn3)C2)cc1	ZINC001129837708	938534917	/nfs/dbraw/zinc/53/49/17/938534917.db2.gz	KFZDOWQAVJBGLM-MOPGFXCFSA-N	1	0	365.437	1.522	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cc3occc3[nH]2)C[C@@H]1n1ccnn1	ZINC001129878713	938536109	/nfs/dbraw/zinc/53/61/09/938536109.db2.gz	AVTDNAIFIRXNQS-CVEARBPZSA-N	1	0	370.413	1.210	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc3c2COCC3)C[C@@H]1n1ccnn1	ZINC001129890460	938541486	/nfs/dbraw/zinc/54/14/86/938541486.db2.gz	JZFDMAHGVYSTKP-MOPGFXCFSA-N	1	0	365.437	1.029	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3c(o2)CCCC3)C[C@@H]1n1ccnn1	ZINC001129890396	938541491	/nfs/dbraw/zinc/54/14/91/938541491.db2.gz	GFDUCAAUSNEGST-CVEARBPZSA-N	1	0	353.426	1.429	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(C)C)nc2)C[C@@H]1n1ccnn1	ZINC001129892362	938543188	/nfs/dbraw/zinc/54/31/88/938543188.db2.gz	TYZGSGAOMNXLEJ-MSOLQXFVSA-N	1	0	352.442	1.475	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2cnccc2OC)C[C@@H]1n1ccnn1	ZINC001129906910	938549037	/nfs/dbraw/zinc/54/90/37/938549037.db2.gz	GTJYNVFZMYJJSJ-SJORKVTESA-N	1	0	370.457	1.232	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C/C=C\c2ccccc2F)C[C@@H]1n1ccnn1	ZINC001129910114	938549594	/nfs/dbraw/zinc/54/95/94/938549594.db2.gz	DIQZYTACLLNQGN-HQJRWBGDSA-N	1	0	367.428	1.886	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2Cl)C[C@@H]1n1ccnn1	ZINC001129910528	938550291	/nfs/dbraw/zinc/55/02/91/938550291.db2.gz	XCJSYRCFSMUOBE-KGLIPLIRSA-N	1	0	363.853	1.287	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2[nH]c(C)cc2C)C[C@@H]1n1ccnn1	ZINC001129912465	938551180	/nfs/dbraw/zinc/55/11/80/938551180.db2.gz	HUFDLTWPVZXCIV-CVEARBPZSA-N	1	0	358.446	1.081	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2nccc3cccnc32)C[C@@H]1n1ccnn1	ZINC001129895578	938557144	/nfs/dbraw/zinc/55/71/44/938557144.db2.gz	DBYLSCNTVDTUSL-CVEARBPZSA-N	1	0	363.425	1.453	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnc3n2CCC3)C[C@@H]1n1ccnn1	ZINC001129898561	938558898	/nfs/dbraw/zinc/55/88/98/938558898.db2.gz	XBUIWQZWJHDYNI-UXLLHSPISA-N	1	0	369.473	1.431	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnc3[nH]ccc3c2)C[C@@H]1n1ccnn1	ZINC001129902405	938561371	/nfs/dbraw/zinc/56/13/71/938561371.db2.gz	JKMICHDNBDXHQB-SJORKVTESA-N	1	0	365.441	1.728	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(OCC)no2)C[C@@H]1n1ccnn1	ZINC001129936553	938563797	/nfs/dbraw/zinc/56/37/97/938563797.db2.gz	DVORRLBSNQTVSR-KGLIPLIRSA-N	1	0	360.418	1.286	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@]23CCC[C@H]2OCC3)C[C@@H]1n1ccnn1	ZINC001129930816	938573224	/nfs/dbraw/zinc/57/32/24/938573224.db2.gz	WBGUYNOCYFBROB-NTDBWNAOSA-N	1	0	359.474	1.545	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH]ncc32)C[C@@H]1n1ccnn1	ZINC001129954706	938576527	/nfs/dbraw/zinc/57/65/27/938576527.db2.gz	ZYHOSXJBOPASMQ-MSOLQXFVSA-N	1	0	365.441	1.776	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]([NH2+]CCC[C@H]2CCOC2)[C@@H](n2ccnn2)C1	ZINC001129959241	938577948	/nfs/dbraw/zinc/57/79/48/938577948.db2.gz	NZSWPZWJNJOCDZ-BBWFWOEESA-N	1	0	361.490	1.649	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H]([NH2+]Cc2cncc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129972607	938591234	/nfs/dbraw/zinc/59/12/34/938591234.db2.gz	DVMCKJGCXPKHSK-MOPGFXCFSA-N	1	0	366.469	1.717	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H]([NH2+]CCOC2CCC2)[C@@H](n2ccnn2)C1	ZINC001129977825	938593104	/nfs/dbraw/zinc/59/31/04/938593104.db2.gz	HHWQCLNWFNTSDA-NXHRZFHOSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H]([NH2+]CCOCC(F)F)[C@@H](n2ccnn2)C1	ZINC001129976459	938600687	/nfs/dbraw/zinc/60/06/87/938600687.db2.gz	NJGPAVFNERFSLD-KFWWJZLASA-N	1	0	371.432	1.504	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3nc[nH]c32)C[C@@H]1n1ccnn1	ZINC001130000621	938607805	/nfs/dbraw/zinc/60/78/05/938607805.db2.gz	HBKNZROZOKZKNJ-OIISXLGYSA-N	1	0	369.473	1.429	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)CC2(C)OCCO2)CC1	ZINC000804895893	938611891	/nfs/dbraw/zinc/61/18/91/938611891.db2.gz	UGYQDGLOKUDAKL-OAHLLOKOSA-N	1	0	367.490	1.049	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2noc3c2CCCC3)C[C@@H]1n1ccnn1	ZINC001130015618	938616799	/nfs/dbraw/zinc/61/67/99/938616799.db2.gz	ZWDSXYOMDFIXBJ-CABCVRRESA-N	1	0	356.430	1.376	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccnc2)C[C@@H]1n1ccnn1	ZINC001130017783	938618303	/nfs/dbraw/zinc/61/83/03/938618303.db2.gz	YDGCJFVXOXGBAL-MANSERQUSA-N	1	0	366.469	1.785	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCc2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001130020680	938619496	/nfs/dbraw/zinc/61/94/96/938619496.db2.gz	RPHLAUFHDFVKOS-MSOLQXFVSA-N	1	0	357.433	1.968	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2cccnc2)C[C@@H]1n1ccnn1	ZINC001130006197	938623614	/nfs/dbraw/zinc/62/36/14/938623614.db2.gz	XICMIIJRIQJTLE-NXHRZFHOSA-N	1	0	370.457	1.448	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cn2ccc(C)n2)C[C@@H]1n1ccnn1	ZINC001130007218	938624662	/nfs/dbraw/zinc/62/46/62/938624662.db2.gz	DYHFVZJHZKJDGA-MSOLQXFVSA-N	1	0	371.489	1.571	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCCCF)[C@@H](n2ccnn2)C1	ZINC001130009177	938625852	/nfs/dbraw/zinc/62/58/52/938625852.db2.gz	AMWZHGHCAUKGDD-NCOADZHNSA-N	1	0	365.453	1.351	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(CCCCC)n[nH]2)C[C@@H]1n1ccnn1	ZINC001130040743	938627221	/nfs/dbraw/zinc/62/72/21/938627221.db2.gz	JYZQJWPZPMBSRA-MSOLQXFVSA-N	1	0	369.473	1.413	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cn2cc(Cl)cn2)C[C@@H]1n1ccnn1	ZINC001130024590	938628481	/nfs/dbraw/zinc/62/84/81/938628481.db2.gz	XRGJTBBJGVKFEI-CABCVRRESA-N	1	0	363.853	1.136	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCCCO2)C[C@@H]1n1ccnn1	ZINC001130026173	938629185	/nfs/dbraw/zinc/62/91/85/938629185.db2.gz	DSKOEODXFZMPMR-KSZLIROESA-N	1	0	361.490	1.935	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2csc(C)n2)C[C@@H]1n1ccnn1	ZINC001130028250	938630438	/nfs/dbraw/zinc/63/04/38/938630438.db2.gz	MUHCBVIGUUGMHV-CVEARBPZSA-N	1	0	358.471	1.041	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2cccnc2)C[C@@H]1n1ccnn1	ZINC001130028243	938630457	/nfs/dbraw/zinc/63/04/57/938630457.db2.gz	MIFLFIACAVFPGJ-NXHRZFHOSA-N	1	0	352.442	1.232	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]([NH2+]CC/C=C/CC)[C@@H](n3ccnn3)C2)nn1	ZINC001130032648	938633449	/nfs/dbraw/zinc/63/34/49/938633449.db2.gz	LSADTSHTQONEKX-HEDFYIJFSA-N	1	0	370.461	1.067	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1	ZINC001130033761	938634224	/nfs/dbraw/zinc/63/42/24/938634224.db2.gz	DNCPNZNBKOOMSA-YVSFHVDLSA-N	1	0	365.453	1.351	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n2ccnn2)C1	ZINC001130038066	938636062	/nfs/dbraw/zinc/63/60/62/938636062.db2.gz	JVOKCGKCZKEVKE-WPIADWPOSA-N	1	0	365.865	1.353	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3ccccc3O2)C[C@@H]1n1ccnn1	ZINC001130054408	938639639	/nfs/dbraw/zinc/63/96/39/938639639.db2.gz	BKPILQNUWIWZEO-AOIWGVFYSA-N	1	0	365.437	1.037	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)COCc2ccncc2)C[C@@H]1n1ccnn1	ZINC001130057121	938643911	/nfs/dbraw/zinc/64/39/11/938643911.db2.gz	JQYAPUHHAYLSQL-MSOLQXFVSA-N	1	0	370.457	1.198	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc3nsnc32)C[C@@H]1n1ccnn1	ZINC001130062537	938650590	/nfs/dbraw/zinc/65/05/90/938650590.db2.gz	KCLDGLHJZDAJIZ-CABCVRRESA-N	1	0	369.454	1.514	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)COc2ccsc2)C[C@@H]1n1ccnn1	ZINC001130086137	938667401	/nfs/dbraw/zinc/66/74/01/938667401.db2.gz	NEDUYOSDRPKAEB-CVEARBPZSA-N	1	0	361.471	1.726	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn(C(C)C)c2C)C[C@@H]1n1ccnn1	ZINC001130079820	938672705	/nfs/dbraw/zinc/67/27/05/938672705.db2.gz	ZXNDUOUXYLIGDX-SJORKVTESA-N	1	0	355.446	1.043	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]CCC(=C)C)[C@@H](n3ccnn3)C2)cn1	ZINC001130091203	938676358	/nfs/dbraw/zinc/67/63/58/938676358.db2.gz	FVVOVSGYTVRKGS-MSOLQXFVSA-N	1	0	350.426	1.276	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001130091181	938676437	/nfs/dbraw/zinc/67/64/37/938676437.db2.gz	DZOZOXPVGDUJDQ-QRQLOZEOSA-N	1	0	351.454	1.755	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(Cl)cc2)C[C@@H]1n1ccnn1	ZINC001130109913	938688654	/nfs/dbraw/zinc/68/86/54/938688654.db2.gz	KSJBERLGESETNY-SJORKVTESA-N	1	0	357.845	1.539	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCCOc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130111674	938690463	/nfs/dbraw/zinc/69/04/63/938690463.db2.gz	LCNMYTDKNYAUSU-MOPGFXCFSA-N	1	0	367.453	1.502	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)COc2ccccc2C)C[C@@H]1n1ccnn1	ZINC001130112826	938692698	/nfs/dbraw/zinc/69/26/98/938692698.db2.gz	STZGWEQUOSDTRG-MSOLQXFVSA-N	1	0	369.469	1.973	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CCC)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130114904	938694311	/nfs/dbraw/zinc/69/43/11/938694311.db2.gz	JBQNAAJOHOEBCT-OTWHNJEPSA-N	1	0	351.454	1.837	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3nccnc3c2)C[C@@H]1n1ccnn1	ZINC001130115115	938694495	/nfs/dbraw/zinc/69/44/95/938694495.db2.gz	VCQXHKVDCHBLFS-MSOLQXFVSA-N	1	0	363.425	1.453	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCOc2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001130125423	938696287	/nfs/dbraw/zinc/69/62/87/938696287.db2.gz	NCWRBJHRULYEKC-MOPGFXCFSA-N	1	0	369.469	1.973	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCOc2ccccc2C)C[C@@H]1n1ccnn1	ZINC001130125310	938696296	/nfs/dbraw/zinc/69/62/96/938696296.db2.gz	GYDDGXJCQGEFDE-SJORKVTESA-N	1	0	353.426	1.030	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c(C)n[nH]c2C)C[C@@H]1n1ccnn1	ZINC001130128070	938697937	/nfs/dbraw/zinc/69/79/37/938697937.db2.gz	ZBVSPCIEHZIZCI-VHSSKADRSA-N	1	0	371.489	1.414	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH]nc3C2)C[C@@H]1n1ccnn1	ZINC001130129555	938698913	/nfs/dbraw/zinc/69/89/13/938698913.db2.gz	NMLQLZRSAHIPDU-QGTPRVQTSA-N	1	0	369.473	1.114	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2c(C)n[nH]c2C)C[C@@H]1n1ccnn1	ZINC001130120928	938703605	/nfs/dbraw/zinc/70/36/05/938703605.db2.gz	FRANJTWRXGKSJH-SJORKVTESA-N	1	0	357.462	1.168	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCOc2cccnc2)C[C@@H]1n1ccnn1	ZINC001130132649	938707493	/nfs/dbraw/zinc/70/74/93/938707493.db2.gz	JOOQGPWOYTYZBK-MSOLQXFVSA-N	1	0	370.457	1.450	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCCn2cccn2)C[C@@H]1n1ccnn1	ZINC001130132768	938707799	/nfs/dbraw/zinc/70/77/99/938707799.db2.gz	OJHVNFOFMHHEEP-KURKYZTESA-N	1	0	371.489	1.651	20	30		FDEDRO
CC[C@H](F)C[NH2+][C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130133967	938708462	/nfs/dbraw/zinc/70/84/62/938708462.db2.gz	LRBABSUHWDFTEX-OTWHNJEPSA-N	1	0	369.444	1.810	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCn2cc(Cl)cn2)C[C@@H]1n1ccnn1	ZINC001130134258	938709215	/nfs/dbraw/zinc/70/92/15/938709215.db2.gz	ZVURZARPFCUIKW-CABCVRRESA-N	1	0	363.853	1.136	20	30		FDEDRO
C#CCOCCNC(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000805278856	938711033	/nfs/dbraw/zinc/71/10/33/938711033.db2.gz	BJSSHRRZXPCLJZ-HXUWFJFHSA-N	1	0	370.497	1.238	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC3CCC2CC3)C[C@@H]1n1ccnn1	ZINC001130143249	938714374	/nfs/dbraw/zinc/71/43/74/938714374.db2.gz	QDGZZTDXDHLZGJ-JIARVOFWSA-N	1	0	371.485	1.096	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]([NH2+][C@H](C)c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001130151033	938715648	/nfs/dbraw/zinc/71/56/48/938715648.db2.gz	GLMBKGGWXIJOFX-QRQLOZEOSA-N	1	0	369.469	1.974	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]([NH2+]CCCCCOC)[C@@H](n2ccnn2)C1	ZINC001130151091	938715708	/nfs/dbraw/zinc/71/57/08/938715708.db2.gz	IIITYJDDFCZUAO-SJORKVTESA-N	1	0	365.478	1.029	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)COCCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130153332	938717230	/nfs/dbraw/zinc/71/72/30/938717230.db2.gz	KFXRCJOHTDBBMN-MOPGFXCFSA-N	1	0	369.469	1.455	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCCn2ccnc2)C[C@@H]1n1ccnn1	ZINC001130158272	938719707	/nfs/dbraw/zinc/71/97/07/938719707.db2.gz	AYKKGRAMCDDFOY-KSZLIROESA-N	1	0	371.489	1.651	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(F)F)[nH]1	ZINC001130175078	938723866	/nfs/dbraw/zinc/72/38/66/938723866.db2.gz	AVLMBDAEKRFKGZ-STQMWFEESA-N	1	0	371.432	1.895	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(F)cc2)n1	ZINC001130181806	938728794	/nfs/dbraw/zinc/72/87/94/938728794.db2.gz	VQJQNKLTLMPYSR-HOTGVXAUSA-N	1	0	371.416	1.359	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCSCC)[nH]1	ZINC001130186873	938732740	/nfs/dbraw/zinc/73/27/40/938732740.db2.gz	PJSRKFDCPXGUGM-KBPBESRZSA-N	1	0	367.519	1.602	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc[nH]2)[nH]1	ZINC001130187254	938733081	/nfs/dbraw/zinc/73/30/81/938733081.db2.gz	XZGRLEZTHSCFRH-ZFWWWQNUSA-N	1	0	358.446	1.491	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H]2C=CCC2)n1	ZINC001130187732	938734078	/nfs/dbraw/zinc/73/40/78/938734078.db2.gz	GSLVGKHWRGGUOC-PMPSAXMXSA-N	1	0	357.458	1.263	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCSCC)n1	ZINC001130187995	938734538	/nfs/dbraw/zinc/73/45/38/938734538.db2.gz	TYEXJSMLKLKCTD-KBPBESRZSA-N	1	0	365.503	1.050	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H](C)OC)[nH]1	ZINC001130193460	938738183	/nfs/dbraw/zinc/73/81/83/938738183.db2.gz	ZAONKENQHWDWIE-KKUMJFAQSA-N	1	0	365.478	1.274	20	30		FDEDRO
CCC(CC)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)C#N)[nH]1	ZINC001130203327	938745188	/nfs/dbraw/zinc/74/51/88/938745188.db2.gz	YPJNWRNDYSFOAE-SNPRPXQTSA-N	1	0	362.478	1.479	20	30		FDEDRO
C=C(C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C[C@H](F)CC)[nH]1	ZINC001130216328	938752814	/nfs/dbraw/zinc/75/28/14/938752814.db2.gz	TYQNZYYMBQVOGP-ILXRZTDVSA-N	1	0	367.469	1.987	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](CC)SC)[nH]1	ZINC001130200339	938754246	/nfs/dbraw/zinc/75/42/46/938754246.db2.gz	IOINQBNMCWURHZ-MELADBBJSA-N	1	0	367.519	1.601	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC23CC3)[nH]1	ZINC001130240075	938760192	/nfs/dbraw/zinc/76/01/92/938760192.db2.gz	HHPSVEFOBRORGE-ZNMIVQPWSA-N	1	0	359.474	1.649	20	30		FDEDRO
C=CC(C)(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C[C@H](F)CC)[nH]1	ZINC001130227696	938761547	/nfs/dbraw/zinc/76/15/47/938761547.db2.gz	KJEVPPOXJIUYNM-RDBSUJKOSA-N	1	0	367.469	1.843	20	30		FDEDRO
C=CC(C)(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C/C=C/Cl)[nH]1	ZINC001130227777	938761745	/nfs/dbraw/zinc/76/17/45/938761745.db2.gz	OJDFRZDPHSNANP-YTDWTQRBSA-N	1	0	367.881	1.848	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCCC2(C)C)[nH]1	ZINC001130227716	938761914	/nfs/dbraw/zinc/76/19/14/938761914.db2.gz	LNWXUFJDTCOBKL-ZNMIVQPWSA-N	1	0	361.490	1.895	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](CCC)OCC)[nH]1	ZINC001130229712	938763096	/nfs/dbraw/zinc/76/30/96/938763096.db2.gz	BCKGEVMTDZRZDB-KKUMJFAQSA-N	1	0	365.478	1.274	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H]2CC=CCC2)[nH]1	ZINC001130229776	938763319	/nfs/dbraw/zinc/76/33/19/938763319.db2.gz	FKKHTIYUHNMFCF-ULQDDVLXSA-N	1	0	371.485	1.653	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccoc2C2CC2)n1	ZINC001130232686	938764934	/nfs/dbraw/zinc/76/49/34/938764934.db2.gz	NURUZMDSYYVCRN-ZFWWWQNUSA-N	1	0	369.425	1.300	20	30		FDEDRO
C=C1CC(C)(C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CC3CC3)[nH]2)C1	ZINC001130234649	938765766	/nfs/dbraw/zinc/76/57/66/938765766.db2.gz	GFRRJRHIFIBRLA-GJZGRUSLSA-N	1	0	359.474	1.649	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2C2CCC2)[nH]1	ZINC001130242410	938769521	/nfs/dbraw/zinc/76/95/21/938769521.db2.gz	VTYNNXMNFWEUDQ-NXOAAHMSSA-N	1	0	373.501	1.895	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H](C)COC)[nH]1	ZINC001130246723	938772063	/nfs/dbraw/zinc/77/20/63/938772063.db2.gz	NRTFUIFFASFTDC-ILXRZTDVSA-N	1	0	365.478	1.132	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2ccco2)CC1	ZINC001130269399	938784283	/nfs/dbraw/zinc/78/42/83/938784283.db2.gz	NOQYLERPHCEKIE-NQIIRXRSSA-N	1	0	371.481	1.711	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCOC(C)C)CC1	ZINC001130274680	938786975	/nfs/dbraw/zinc/78/69/75/938786975.db2.gz	YQJVXEUHSKYUQM-APWZRJJASA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@@H](C)OC)CC1	ZINC001130276840	938788038	/nfs/dbraw/zinc/78/80/38/938788038.db2.gz	RMNIJPJWBFGREX-OGWOLHLISA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC)CC1	ZINC001130278798	938788843	/nfs/dbraw/zinc/78/88/43/938788843.db2.gz	CRGSXARZLIGXEG-LESCRADOSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCO)CC1	ZINC001130290878	938795670	/nfs/dbraw/zinc/79/56/70/938795670.db2.gz	PVHDJEQUSBTRRI-APWZRJJASA-N	1	0	351.491	1.201	20	30		FDEDRO
C=CCOCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2C[C@H]2C)CC1	ZINC001130293215	938796798	/nfs/dbraw/zinc/79/67/98/938796798.db2.gz	OJEZATFRGSRRLL-MYZZLAAOSA-N	1	0	363.502	1.320	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2ccncc2)CC1	ZINC001130293066	938796801	/nfs/dbraw/zinc/79/68/01/938796801.db2.gz	LBMYNIGKLVRVFG-NQIIRXRSSA-N	1	0	368.481	1.123	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC#CC)CC1	ZINC001130295676	938798028	/nfs/dbraw/zinc/79/80/28/938798028.db2.gz	NFBTYDBYKKSHCY-NQIIRXRSSA-N	1	0	357.498	1.679	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@H](C)C2CC2)CC1	ZINC001130307460	938805129	/nfs/dbraw/zinc/80/51/29/938805129.db2.gz	QMTNMOFVSATMJQ-KLHJMIIUSA-N	1	0	359.514	1.921	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@]23C[C@H]2CCC3)C1	ZINC001130401819	938836769	/nfs/dbraw/zinc/83/67/69/938836769.db2.gz	NVNNQZUUISIROW-WRWLIDTKSA-N	1	0	356.470	1.655	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2snnc2C)C[C@H]1c1cn(C)cn1	ZINC001130488047	938880403	/nfs/dbraw/zinc/88/04/03/938880403.db2.gz	MIMVODQYDWRDKD-DZGCQCFKSA-N	1	0	360.487	1.744	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)n2C)C[C@H]1c1cn(C)cn1	ZINC001130497792	938881888	/nfs/dbraw/zinc/88/18/88/938881888.db2.gz	FCNIYTHNTFFPCI-FUHWJXTLSA-N	1	0	371.485	1.467	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(CC)n[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130502371	938885269	/nfs/dbraw/zinc/88/52/69/938885269.db2.gz	JQNWKDRVESOCLG-MAUKXSAKSA-N	1	0	356.474	1.870	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cn2cc(C)cn2)C[C@H]1c1cn(C)cn1	ZINC001130522417	938897484	/nfs/dbraw/zinc/89/74/84/938897484.db2.gz	GMIPLXCWGZMRNJ-FUHWJXTLSA-N	1	0	356.474	1.475	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C2CCC(O)CC2)C[C@H]1c1cn(C)cn1	ZINC001130576676	939879830	/nfs/dbraw/zinc/87/98/30/939879830.db2.gz	ZYZVDCZJYAMZOO-BXNZUYAZSA-N	1	0	360.502	1.821	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3snnc3C)C2)C1=O	ZINC001086641450	939885511	/nfs/dbraw/zinc/88/55/11/939885511.db2.gz	MQCUXHJNVCDADX-BFHYXJOUSA-N	1	0	363.487	1.122	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2c(C)noc2C)C1	ZINC001130578537	939890929	/nfs/dbraw/zinc/89/09/29/939890929.db2.gz	RLTGQTJVJDYVCX-PKOBYXMFSA-N	1	0	369.469	1.913	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2ccncn2)C[C@H]1c1cn(C)cn1	ZINC001130600888	939895782	/nfs/dbraw/zinc/89/57/82/939895782.db2.gz	QUYNAJAFYYUKKM-PKOBYXMFSA-N	1	0	368.485	1.693	20	30		FDEDRO
C=CCCOCCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1	ZINC001130590491	939897460	/nfs/dbraw/zinc/89/74/60/939897460.db2.gz	SFJIQFFNZXMTQM-FUHWJXTLSA-N	1	0	364.490	1.059	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2ccncc2C)C[C@H]1c1cn(C)cn1	ZINC001130590574	939897688	/nfs/dbraw/zinc/89/76/88/939897688.db2.gz	XICPNADZBAOIGZ-PKOBYXMFSA-N	1	0	353.470	1.826	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC2CCCC2)C1	ZINC001130592831	939899760	/nfs/dbraw/zinc/89/97/60/939899760.db2.gz	HGVIMONCAHQIRT-HHXXYDBFSA-N	1	0	358.486	1.533	20	30		FDEDRO
Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000747325414	939901106	/nfs/dbraw/zinc/90/11/06/939901106.db2.gz	IZCYFOZTKANUDH-CABCVRRESA-N	1	0	354.410	1.843	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2OCC[C@H]2C(C)C)C[C@H]1c1cn(C)cn1	ZINC001130594379	939901597	/nfs/dbraw/zinc/90/15/97/939901597.db2.gz	FGBCMJHYNYQSEW-DKKFBQAASA-N	1	0	358.486	1.389	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#CCOC)C1	ZINC001130599135	939904698	/nfs/dbraw/zinc/90/46/98/939904698.db2.gz	KDPQRVBYNGMNLE-AZUAARDMSA-N	1	0	370.497	1.722	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc3n2CCC3)C[C@H]1c1cn(C)cn1	ZINC001130611089	939908207	/nfs/dbraw/zinc/90/82/07/939908207.db2.gz	XGSSAVKVPUKGTP-GOEBONIOSA-N	1	0	354.458	1.337	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cc(C)ncn2)C1	ZINC001130602447	939914103	/nfs/dbraw/zinc/91/41/03/939914103.db2.gz	BGPVXCPKMJIJTI-PKOBYXMFSA-N	1	0	368.485	1.959	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCO)C1)OCC	ZINC001130603098	939915004	/nfs/dbraw/zinc/91/50/04/939915004.db2.gz	YNQBYWNLTIKUQI-CGTJXYLNSA-N	1	0	364.490	1.058	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1c1cn(C)cn1	ZINC001130615542	939918661	/nfs/dbraw/zinc/91/86/61/939918661.db2.gz	VIHQUVRSFHZYKT-GOEBONIOSA-N	1	0	356.430	1.080	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccnc3ccnn32)C[C@H]1c1cn(C)cn1	ZINC001130607495	939918929	/nfs/dbraw/zinc/91/89/29/939918929.db2.gz	DVIAOPQSBFADPU-GOEBONIOSA-N	1	0	365.441	1.237	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(C)cc2)C[C@H]1c1cn(C)cn1	ZINC001130623812	939921914	/nfs/dbraw/zinc/92/19/14/939921914.db2.gz	HRQYCFSBXLSWLZ-AZUAARDMSA-N	1	0	350.466	1.879	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC(C)(C)CO2)C[C@H]1c1cn(C)cn1	ZINC001130624199	939922278	/nfs/dbraw/zinc/92/22/78/939922278.db2.gz	OIGUDCCTDLFHDJ-XYJFISCASA-N	1	0	358.486	1.533	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cn(C)ccc2=O)C[C@H]1c1cn(C)cn1	ZINC001130625982	939923627	/nfs/dbraw/zinc/92/36/27/939923627.db2.gz	FNTMPECKPRKBJU-MAUKXSAKSA-N	1	0	369.469	1.283	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc(Cl)n2C)C[C@H]1c1cn(C)cn1	ZINC001130626592	939924089	/nfs/dbraw/zinc/92/40/89/939924089.db2.gz	MQAIVIKROKQZET-GXTWGEPZSA-N	1	0	362.865	1.581	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3nc[nH]c3n2)C[C@H]1c1cn(C)cn1	ZINC001130616980	939928585	/nfs/dbraw/zinc/92/85/85/939928585.db2.gz	MRLKOUMJLIUODF-SUMWQHHRSA-N	1	0	365.441	1.465	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)nnc2CC)C[C@H]1c1cn(C)cn1	ZINC001130619112	939929730	/nfs/dbraw/zinc/92/97/30/939929730.db2.gz	BSXXLNSFMPAXMM-QFBILLFUSA-N	1	0	368.485	1.855	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2cn(CC)nn2)C[C@H]1c1cn(C)cn1	ZINC001130630092	939934836	/nfs/dbraw/zinc/93/48/36/939934836.db2.gz	FDDIWSVCLZWJHB-FUHWJXTLSA-N	1	0	371.489	1.124	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)c(C)cn2)C[C@H]1c1cn(C)cn1	ZINC001130630857	939935069	/nfs/dbraw/zinc/93/50/69/939935069.db2.gz	YQQKAVGBLRXORM-QFBILLFUSA-N	1	0	351.454	1.653	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@]23C[C@H]2CCC3)C[C@H]1c1cn(C)cn1	ZINC001130632797	939936267	/nfs/dbraw/zinc/93/62/67/939936267.db2.gz	QTXPEVQGXLPROO-YNVMFWSZSA-N	1	0	358.486	1.697	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)C2(COC)CCC2)C[C@H]1c1cn(C)cn1	ZINC001130632897	939936565	/nfs/dbraw/zinc/93/65/65/939936565.db2.gz	VQTPDOGEUOVGTA-GOEBONIOSA-N	1	0	366.893	1.873	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOC)C1	ZINC001130638012	939940263	/nfs/dbraw/zinc/94/02/63/939940263.db2.gz	XKSVVLBAWNIJFU-WDYCEAGBSA-N	1	0	364.490	1.179	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2ccccn2)C[C@H]1c1cn(C)cn1	ZINC001130638037	939940623	/nfs/dbraw/zinc/94/06/23/939940623.db2.gz	YTEHXUCJRZOMKW-PKOBYXMFSA-N	1	0	351.454	1.355	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)nc(OC)c2)C[C@H]1c1cn(C)cn1	ZINC001130654287	939947909	/nfs/dbraw/zinc/94/79/09/939947909.db2.gz	DFXUNHMVEYXUFF-FUHWJXTLSA-N	1	0	367.453	1.353	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3cccnc32)C[C@H]1c1cn(C)cn1	ZINC001130654720	939948397	/nfs/dbraw/zinc/94/83/97/939948397.db2.gz	PUIXFFRYVZWNGN-ZIFCJYIRSA-N	1	0	363.465	1.452	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC2(C)C)C[C@H]1c1cn(C)cn1	ZINC001130647134	939955792	/nfs/dbraw/zinc/95/57/92/939955792.db2.gz	XAZMYFAQMSUWRY-XYJFISCASA-N	1	0	358.486	1.390	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccnn2C)C1	ZINC001130656566	939960836	/nfs/dbraw/zinc/96/08/36/939960836.db2.gz	LIIQXTADGDDXQP-HHXXYDBFSA-N	1	0	370.501	1.840	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C/C=C/Cl)C1	ZINC001130680547	939968989	/nfs/dbraw/zinc/96/89/89/939968989.db2.gz	WPOHKGVAHMRWMF-AJOCTAOLSA-N	1	0	364.877	1.648	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCC(=C)C)C2)c1	ZINC001130669299	939969959	/nfs/dbraw/zinc/96/99/59/939969959.db2.gz	FJKQRRWBPWNLOH-AZUAARDMSA-N	1	0	363.465	1.960	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(OC)c2C)C[C@H]1c1cn(C)cn1	ZINC001130685470	939975740	/nfs/dbraw/zinc/97/57/40/939975740.db2.gz	VGUXJEOKFUUWNA-PKOBYXMFSA-N	1	0	366.465	1.958	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(F)c(OC)c2)C[C@H]1c1cn(C)cn1	ZINC001130685566	939975788	/nfs/dbraw/zinc/97/57/88/939975788.db2.gz	ZJKXOPHGCYOQFZ-MAUKXSAKSA-N	1	0	370.428	1.789	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2cccnc2)C[C@H]1c1cn(C)cn1	ZINC001130687756	939977938	/nfs/dbraw/zinc/97/79/38/939977938.db2.gz	PCYCULZWDOOTPG-IMFGXOCKSA-N	1	0	365.481	1.916	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCC2)C[C@H]1c1cn(C)cn1	ZINC001130689997	939980049	/nfs/dbraw/zinc/98/00/49/939980049.db2.gz	RFIHAIYZYMISJG-HLNWXESRSA-N	1	0	372.513	1.943	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)COc2cccnc2)C[C@H]1c1cn(C)cn1	ZINC001130692644	939981592	/nfs/dbraw/zinc/98/15/92/939981592.db2.gz	VVNHEVNIIOPTLS-PKOBYXMFSA-N	1	0	369.469	1.744	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn(CC)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130682747	939982306	/nfs/dbraw/zinc/98/23/06/939982306.db2.gz	ISXYGTRRQLTBNK-FUHWJXTLSA-N	1	0	356.474	1.719	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnn(C)c2)C1	ZINC001130682858	939982643	/nfs/dbraw/zinc/98/26/43/939982643.db2.gz	MDOHIKJQXJRHAP-FUHWJXTLSA-N	1	0	370.501	1.840	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2nnn(C(C)C)c2C)C[C@H]1c1cn(C)cn1	ZINC001130704675	939985719	/nfs/dbraw/zinc/98/57/19/939985719.db2.gz	YUZDPBPZHCUPTJ-DOTOQJQBSA-N	1	0	369.473	1.122	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn(CC3CC3)nn2)C[C@H]1c1cn(C)cn1	ZINC001130700734	939995920	/nfs/dbraw/zinc/99/59/20/939995920.db2.gz	CUPCGYXFZRHMPM-DOTOQJQBSA-N	1	0	369.473	1.196	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCOC2CCOCC2)C[C@H]1c1cn(C)cn1	ZINC001130709908	939998085	/nfs/dbraw/zinc/99/80/85/939998085.db2.gz	HWQTULXTLCNTML-FUHWJXTLSA-N	1	0	362.474	1.076	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC[C@@H](C)F)C2)cn1	ZINC001130715233	940007699	/nfs/dbraw/zinc/00/76/99/940007699.db2.gz	UNYSIHBWVUMUOB-DKSSEZFCSA-N	1	0	369.444	1.742	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn(CC3CC3)c2)C[C@H]1c1cn(C)cn1	ZINC001130708425	940014281	/nfs/dbraw/zinc/01/42/81/940014281.db2.gz	OYOGDHQJUMVODR-PKOBYXMFSA-N	1	0	368.485	1.801	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H](OC)C(F)(F)F)C[C@H]1c1cn(C)cn1	ZINC001130708508	940014547	/nfs/dbraw/zinc/01/45/47/940014547.db2.gz	VDBKESQJBPVTBZ-IACUBPJLSA-N	1	0	360.380	1.458	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn3c2CCCC3)C[C@H]1c1cn(C)cn1	ZINC001130708572	940014940	/nfs/dbraw/zinc/01/49/40/940014940.db2.gz	YYPMWESKJZLIAE-FUHWJXTLSA-N	1	0	366.469	1.174	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2nc(C)c(C)s2)C[C@H]1c1cn(C)cn1	ZINC001130728565	940016928	/nfs/dbraw/zinc/01/69/28/940016928.db2.gz	GTDQBHYJQDDSMA-GOEBONIOSA-N	1	0	357.483	1.715	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ncc3n2CCCC3)C[C@H]1c1cn(C)cn1	ZINC001130729116	940017829	/nfs/dbraw/zinc/01/78/29/940017829.db2.gz	VSAYQXDJFWIDJL-FUHWJXTLSA-N	1	0	366.469	1.174	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCc2nc(C)no2)C[C@H]1c1cn(C)cn1	ZINC001130729065	940017942	/nfs/dbraw/zinc/01/79/42/940017942.db2.gz	SVFUZDXFRUXNSG-GOEBONIOSA-N	1	0	358.446	1.204	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CNC(=O)CC(C)(C)C)C[C@H]1c1cn(C)cn1	ZINC001130729122	940018004	/nfs/dbraw/zinc/01/80/04/940018004.db2.gz	VYQPHGJSQAGNQM-GOEBONIOSA-N	1	0	361.490	1.043	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccccc2OC)C[C@H]1c1cn(C)cn1	ZINC001130719367	940022856	/nfs/dbraw/zinc/02/28/56/940022856.db2.gz	MDBJKFJKRZXHEF-FUHWJXTLSA-N	1	0	352.438	1.650	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2csc(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130723076	940027804	/nfs/dbraw/zinc/02/78/04/940027804.db2.gz	AKHVHQQVKGWPKA-DOTOQJQBSA-N	1	0	357.483	1.335	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1c1cn(C)cn1	ZINC001130739722	940041681	/nfs/dbraw/zinc/04/16/81/940041681.db2.gz	LPQSZEGQVGTJHJ-XYJFISCASA-N	1	0	356.474	1.556	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCCO)C2)CCCC1	ZINC001130741556	940042956	/nfs/dbraw/zinc/04/29/56/940042956.db2.gz	IQAGVMQOALAZDT-FUHWJXTLSA-N	1	0	360.502	1.823	20	30		FDEDRO
C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130731475	940044713	/nfs/dbraw/zinc/04/47/13/940044713.db2.gz	GAJCDVLMDMFHSZ-XKGZKEIXSA-N	1	0	366.465	1.127	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)C2CCOCC2)C[C@H]1c1cn(C)cn1	ZINC001130749791	940057038	/nfs/dbraw/zinc/05/70/38/940057038.db2.gz	QYZKDOJCIIZGHQ-HHXXYDBFSA-N	1	0	360.502	1.943	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(F)F)n2)O1	ZINC001130749948	940057095	/nfs/dbraw/zinc/05/70/95/940057095.db2.gz	WDXROYVDYCXXLR-SDDRHHMPSA-N	1	0	357.405	1.850	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C=C(C)C)n2)O1	ZINC001130752884	940060046	/nfs/dbraw/zinc/06/00/46/940060046.db2.gz	GMIRWLAEEMTSGE-LSDHHAIUSA-N	1	0	363.462	1.399	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1	ZINC001130761564	940067533	/nfs/dbraw/zinc/06/75/33/940067533.db2.gz	AVZTZKMPLCIJOS-MELADBBJSA-N	1	0	369.441	1.181	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(Cl)c[nH]3)n2)O1	ZINC001130756577	940079519	/nfs/dbraw/zinc/07/95/19/940079519.db2.gz	OWOUCUAUAKAANW-WCQYABFASA-N	1	0	362.821	1.159	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(Cl)c[nH]3)n2)O1	ZINC001130756733	940080460	/nfs/dbraw/zinc/08/04/60/940080460.db2.gz	XVYXWPAMAZHQEW-WCQYABFASA-N	1	0	364.837	1.712	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCCCO3)n2)O1	ZINC001130775439	940092596	/nfs/dbraw/zinc/09/25/96/940092596.db2.gz	WJAVXXWDRRHJIA-ZNMIVQPWSA-N	1	0	363.462	1.376	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H](C)C(C)C)n2)O1	ZINC001130767346	940100763	/nfs/dbraw/zinc/10/07/63/940100763.db2.gz	FRZNSOWWIZVOLM-OWCLPIDISA-N	1	0	361.490	1.936	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COCC=C)n2)O1	ZINC001130767472	940101393	/nfs/dbraw/zinc/10/13/93/940101393.db2.gz	JVTCGGYMHRFZDN-LSDHHAIUSA-N	1	0	363.462	1.399	20	30		FDEDRO
C=CCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C[C@H](F)CC)O2)n[nH]1	ZINC001130767603	940102134	/nfs/dbraw/zinc/10/21/34/940102134.db2.gz	OJWKLXYIGNWRRU-HZSPNIEDSA-N	1	0	353.442	1.945	20	30		FDEDRO
C=CCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C[C@@H](C)OC)O2)n[nH]1	ZINC001130767883	940102795	/nfs/dbraw/zinc/10/27/95/940102795.db2.gz	VISFPOLBBGPNAW-HZSPNIEDSA-N	1	0	351.451	1.232	20	30		FDEDRO
CCC(CC)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)C#N)n2)O1	ZINC001130769322	940105674	/nfs/dbraw/zinc/10/56/74/940105674.db2.gz	CGWFBMGXRLCGHI-VHDGCEQUSA-N	1	0	362.478	1.826	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C#N)c[nH]3)n2)O1	ZINC001130769993	940108216	/nfs/dbraw/zinc/10/82/16/940108216.db2.gz	SYFDSGUIQDDLSD-DZGCQCFKSA-N	1	0	369.429	1.320	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC(C)(C)C=C)n2)O1	ZINC001130785277	940120141	/nfs/dbraw/zinc/12/01/41/940120141.db2.gz	JEKZWRIDGKAXSQ-LSDHHAIUSA-N	1	0	359.474	1.856	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3CC(F)(F)C3)n2)O1	ZINC001130776798	940126360	/nfs/dbraw/zinc/12/63/60/940126360.db2.gz	LTRRTICUIPATPD-QWHCGFSZSA-N	1	0	369.416	1.852	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](CC)SC)n2)O1	ZINC001130776620	940126422	/nfs/dbraw/zinc/12/64/22/940126422.db2.gz	IMVNCEPLXMYJDH-YNEHKIRRSA-N	1	0	353.492	1.558	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COC(C)(C)C)n2)O1	ZINC001130776819	940126878	/nfs/dbraw/zinc/12/68/78/940126878.db2.gz	MPYQATLOCSEYBU-UONOGXRCSA-N	1	0	363.462	1.069	20	30		FDEDRO
C=CCOCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C(C)C)O2)n[nH]1	ZINC001130777170	940127997	/nfs/dbraw/zinc/12/79/97/940127997.db2.gz	VBLCRWKBAMFQAC-LSDHHAIUSA-N	1	0	365.478	1.622	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3[nH]ccc3C)n2)O1	ZINC001130780749	940135078	/nfs/dbraw/zinc/13/50/78/940135078.db2.gz	AAJLWOQYGLVJRL-UONOGXRCSA-N	1	0	358.446	1.757	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccncc3C)n2)O1	ZINC001130781348	940137115	/nfs/dbraw/zinc/13/71/15/940137115.db2.gz	ZXAWFUCAXHHZRH-GOEBONIOSA-N	1	0	370.457	1.824	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3nccc(C)n3)n2)O1	ZINC001130783228	940142981	/nfs/dbraw/zinc/14/29/81/940142981.db2.gz	RAMHQWCRHOMPBW-UONOGXRCSA-N	1	0	371.445	1.219	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C)c(C)cn3)n2)O1	ZINC001130794111	940145521	/nfs/dbraw/zinc/14/55/21/940145521.db2.gz	MRVJFUVGLMPUFJ-GOEBONIOSA-N	1	0	370.457	1.742	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](OC)C(C)C)n2)O1	ZINC001130804258	940175494	/nfs/dbraw/zinc/17/54/94/940175494.db2.gz	BDAJCWWWVVEGSX-LZWOXQAQSA-N	1	0	365.478	1.478	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3C[C@H]3CC(C)C)n2)O1	ZINC001130806694	940181284	/nfs/dbraw/zinc/18/12/84/940181284.db2.gz	IWGQFAWSTKJDMO-YYIAUSFCSA-N	1	0	373.501	1.936	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@]34C[C@@H]3CCCC4)n2)O1	ZINC001130806898	940181547	/nfs/dbraw/zinc/18/15/47/940181547.db2.gz	MCUKENMDYUNEKI-ZTENYAIWSA-N	1	0	359.474	1.997	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC(C)(F)F)n2)O1	ZINC001130809420	940188468	/nfs/dbraw/zinc/18/84/68/940188468.db2.gz	XLAMMNXFAAEBRM-NWDGAFQWSA-N	1	0	355.389	1.299	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2COCCO2)C1	ZINC001086647538	940192452	/nfs/dbraw/zinc/19/24/52/940192452.db2.gz	QXBSELWUQPDLNB-VHSSKADRSA-N	1	0	361.417	1.487	20	30		FDEDRO
C=CCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCOC)O2)n[nH]1	ZINC001130799544	940193200	/nfs/dbraw/zinc/19/32/00/940193200.db2.gz	MEGNSWMLMGSXOJ-LSDHHAIUSA-N	1	0	365.478	1.623	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)C(F)(F)F)n2)O1	ZINC001130799658	940194394	/nfs/dbraw/zinc/19/43/94/940194394.db2.gz	QPZJRJIKIPQENE-OUAUKWLOSA-N	1	0	359.352	1.062	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(C(F)F)CCC3)n2)O1	ZINC001130802080	940196046	/nfs/dbraw/zinc/19/60/46/940196046.db2.gz	AXSZVLGNNZNBND-NWDGAFQWSA-N	1	0	369.416	1.852	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC3CC(C)(C)C3)n2)O1	ZINC001130802166	940196154	/nfs/dbraw/zinc/19/61/54/940196154.db2.gz	FWTHEWQROBIHEW-LSDHHAIUSA-N	1	0	359.474	1.690	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(C3CC3)C3CC3)n2)O1	ZINC001130817245	940221740	/nfs/dbraw/zinc/22/17/40/940221740.db2.gz	IDRMKBYEELGFIL-JKSUJKDBSA-N	1	0	371.485	1.690	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)CCOC)n2)O1	ZINC001130817770	940223590	/nfs/dbraw/zinc/22/35/90/940223590.db2.gz	ZEDCZWYJFKQAIP-MELADBBJSA-N	1	0	351.451	1.089	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3COCCO3)C2)c1	ZINC001086647765	940241598	/nfs/dbraw/zinc/24/15/98/940241598.db2.gz	AVNAVGSPMRLSMY-LESCRADOSA-N	1	0	361.417	1.487	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2CCCCC2)C[C@H]1c1cncn1C	ZINC001130893409	940289257	/nfs/dbraw/zinc/28/92/57/940289257.db2.gz	HDXUZANLILZCKQ-QZTJIDSGSA-N	1	0	358.486	1.534	20	30		FDEDRO
CCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001130897483	940300585	/nfs/dbraw/zinc/30/05/85/940300585.db2.gz	BYTGXJCGBGDZNU-QZTJIDSGSA-N	1	0	367.453	1.412	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CCc2ccco2)C[C@H]1c1cncn1C	ZINC001130902733	940311742	/nfs/dbraw/zinc/31/17/42/940311742.db2.gz	BXLDCQWFNAFXLJ-QZTJIDSGSA-N	1	0	370.453	1.180	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccoc2C)C[C@H]1c1cncn1C	ZINC001130903075	940312006	/nfs/dbraw/zinc/31/20/06/940312006.db2.gz	RSEDLKPDCIJNRI-IAGOWNOFSA-N	1	0	358.442	1.722	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cn2cc(C)cn2)C[C@H]1c1cncn1C	ZINC001130922620	940320051	/nfs/dbraw/zinc/32/00/51/940320051.db2.gz	MYVFSWUCNLCRBC-IAGOWNOFSA-N	1	0	356.474	1.475	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)/C=C(/C)C2CC2)C[C@H]1c1cncn1C	ZINC001130924920	940321399	/nfs/dbraw/zinc/32/13/99/940321399.db2.gz	JGQKFHBFKRIWSR-TXTZYTMVSA-N	1	0	358.486	1.863	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOCC(F)F)C1	ZINC001130935926	940332051	/nfs/dbraw/zinc/33/20/51/940332051.db2.gz	QQNXANIZACCHKW-ZIAGYGMSSA-N	1	0	356.417	1.552	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1c1cncn1C	ZINC001130927343	940335663	/nfs/dbraw/zinc/33/56/63/940335663.db2.gz	MCOHGKYNMUUAMW-ARFHVFGLSA-N	1	0	356.474	1.706	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOc2ccccc2)C1	ZINC001130940534	940350727	/nfs/dbraw/zinc/35/07/27/940350727.db2.gz	BLPTWWOZLOWNKC-KBAYOESNSA-N	1	0	367.453	1.543	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cccnc2C)C1	ZINC001130945992	940357169	/nfs/dbraw/zinc/35/71/69/940357169.db2.gz	HWLJQFGORNUDTP-QZTJIDSGSA-N	1	0	369.469	1.410	20	30		FDEDRO
CC[C@@H](C[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1c1cncn1C)OC	ZINC001130961937	940367382	/nfs/dbraw/zinc/36/73/82/940367382.db2.gz	ZBROGTRSSXRMOF-ZMSDIMECSA-N	1	0	370.457	1.243	20	30		FDEDRO
CC[C@@H](C)C[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1c1cncn1C	ZINC001130951967	940371723	/nfs/dbraw/zinc/37/17/23/940371723.db2.gz	YPICVBNAHGJWCI-FRFSOERESA-N	1	0	354.458	1.864	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cncs2)C1	ZINC001130971586	940380703	/nfs/dbraw/zinc/38/07/03/940380703.db2.gz	UZMYPVYRWSCVQK-HZPDHXFCSA-N	1	0	357.483	1.764	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccnn2CC)C[C@H]1c1cncn1C	ZINC001130971651	940381098	/nfs/dbraw/zinc/38/10/98/940381098.db2.gz	WXBYEPOFZINHEP-HZPDHXFCSA-N	1	0	356.474	1.801	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cc(C)no2)C1	ZINC001130964703	940386842	/nfs/dbraw/zinc/38/68/42/940386842.db2.gz	ZIBFVDDNALMHMN-QZTJIDSGSA-N	1	0	369.469	1.994	20	30		FDEDRO
CC(C)CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1c1cncn1C	ZINC001130975924	940404569	/nfs/dbraw/zinc/40/45/69/940404569.db2.gz	YQOHMLBFXCLYOQ-IAGOWNOFSA-N	1	0	354.458	1.864	20	30		FDEDRO
Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1c1cncn1C	ZINC001130991410	940414146	/nfs/dbraw/zinc/41/41/46/940414146.db2.gz	ITCCCLXBYMRUEZ-SJLPKXTDSA-N	1	0	366.469	1.262	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC[C@@H]2CCOC2)C1	ZINC001130991623	940414429	/nfs/dbraw/zinc/41/44/29/940414429.db2.gz	UQDUXDSMUCYTBV-KZNAEPCWSA-N	1	0	358.486	1.390	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccn(C(C)(C)C)n2)C[C@H]1c1cncn1C	ZINC001131001465	940427896	/nfs/dbraw/zinc/42/78/96/940427896.db2.gz	BKBBXYINGWGDAG-NVXWUHKLSA-N	1	0	368.485	1.593	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccnn2C(F)F)C[C@H]1c1cncn1C	ZINC001131003829	940430356	/nfs/dbraw/zinc/43/03/56/940430356.db2.gz	RUPTXRKIEYSBFR-CHWSQXEVSA-N	1	0	364.400	1.786	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3nccn32)C[C@H]1c1cncn1C	ZINC001131007804	940434125	/nfs/dbraw/zinc/43/41/25/940434125.db2.gz	MGCJFLZBDCNVSC-BRWVUGGUSA-N	1	0	368.485	1.654	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(F)cccc2OC)C[C@H]1c1cncn1C	ZINC001130999255	940436120	/nfs/dbraw/zinc/43/61/20/940436120.db2.gz	MLYLFAYYPBTVDY-GDBMZVCRSA-N	1	0	370.428	1.789	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2[nH]c(C)cc2C)C[C@H]1c1cncn1C	ZINC001131017626	940438257	/nfs/dbraw/zinc/43/82/57/940438257.db2.gz	DDWFXMIMNUSJID-IAGOWNOFSA-N	1	0	369.469	1.213	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C)n(C)n3)C2)C1=O	ZINC001086653652	940440898	/nfs/dbraw/zinc/44/08/98/940440898.db2.gz	FEVCBFAZGJFZAG-ARFHVFGLSA-N	1	0	359.474	1.004	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCCC)C1	ZINC001131010638	940441855	/nfs/dbraw/zinc/44/18/55/940441855.db2.gz	WNWOBQQLZCZLSH-QRVBRYPASA-N	1	0	371.529	1.592	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2cnccc2OC)C[C@H]1c1cncn1C	ZINC001131014599	940447954	/nfs/dbraw/zinc/44/79/54/940447954.db2.gz	BMGCLNDEPJPVQY-IAGOWNOFSA-N	1	0	369.469	1.527	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@H]1c1cncn1C	ZINC001131031366	940450887	/nfs/dbraw/zinc/45/08/87/940450887.db2.gz	MATNWHWPDJQZLN-DOEOUOAPSA-N	1	0	358.486	1.695	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)cc(C)n2)C[C@H]1c1cncn1C	ZINC001131019753	940451909	/nfs/dbraw/zinc/45/19/09/940451909.db2.gz	ADVUKWUIGLWDRC-SJLPKXTDSA-N	1	0	351.454	1.653	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCn3nccc32)C[C@H]1c1cncn1C	ZINC001131019997	940452356	/nfs/dbraw/zinc/45/23/56/940452356.db2.gz	ILGIJHFVLMAQOG-GVDBMIGSSA-N	1	0	366.469	1.102	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(COC)o2)C[C@H]1c1cncn1C	ZINC001131025800	940458695	/nfs/dbraw/zinc/45/86/95/940458695.db2.gz	CRORMJMKQBGQPL-HZPDHXFCSA-N	1	0	356.426	1.381	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(COC)o2)C[C@H]1c1cncn1C	ZINC001131026150	940459675	/nfs/dbraw/zinc/45/96/75/940459675.db2.gz	XRZMPORHQODOOX-HZPDHXFCSA-N	1	0	356.426	1.381	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(Cl)n(C)n2)C[C@H]1c1cncn1C	ZINC001131026168	940459681	/nfs/dbraw/zinc/45/96/81/940459681.db2.gz	YWDHBNGMMAOCKX-TZMCWYRMSA-N	1	0	362.865	1.581	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccnc2OC)C[C@H]1c1cncn1C	ZINC001131059895	940478961	/nfs/dbraw/zinc/47/89/61/940478961.db2.gz	OGGUQIXVUNWDIL-HZPDHXFCSA-N	1	0	355.442	1.598	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3cccnc32)C[C@H]1c1cncn1C	ZINC001131055699	940481580	/nfs/dbraw/zinc/48/15/80/940481580.db2.gz	INJBYXYBAHEYQT-RCCFBDPRSA-N	1	0	363.465	1.452	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@H]1c1cncn1C	ZINC001131055825	940481795	/nfs/dbraw/zinc/48/17/95/940481795.db2.gz	OCDZWRMOHDWURW-RKVPGOIHSA-N	1	0	350.438	1.399	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2(C)CC(=C)C2)C[C@H]1c1cncn1C	ZINC001131066591	940482478	/nfs/dbraw/zinc/48/24/78/940482478.db2.gz	JJWAZNJLJTZMID-IAGOWNOFSA-N	1	0	358.486	1.863	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cccc(=O)n2C)C[C@H]1c1cncn1C	ZINC001131071881	940484931	/nfs/dbraw/zinc/48/49/31/940484931.db2.gz	AWPXYAHFYKRAOI-HZPDHXFCSA-N	1	0	369.469	1.283	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cc(C)ncn2)C1	ZINC001131065012	940486770	/nfs/dbraw/zinc/48/67/70/940486770.db2.gz	ZOHSRVFYLIAQNY-QZTJIDSGSA-N	1	0	368.485	1.959	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CCCC(C)C)C[C@H]1c1cncn1C	ZINC001131082356	940488024	/nfs/dbraw/zinc/48/80/24/940488024.db2.gz	ONTUBBZIPXICRX-QZTJIDSGSA-N	1	0	360.502	1.780	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc(C3CC3)nc2)C[C@H]1c1cncn1C	ZINC001131083844	940488939	/nfs/dbraw/zinc/48/89/39/940488939.db2.gz	DTSUARNLDIYDGK-IAGOWNOFSA-N	1	0	366.469	1.861	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]C[C@H](C)CC)C2)nn1	ZINC001131083864	940489135	/nfs/dbraw/zinc/48/91/35/940489135.db2.gz	FVYONJYMSSSBIA-BZUAXINKSA-N	1	0	371.489	1.442	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1c1cncn1C	ZINC001131073588	940490298	/nfs/dbraw/zinc/49/02/98/940490298.db2.gz	ITDFOFYZSUFVFB-HZPDHXFCSA-N	1	0	357.462	1.021	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@H]1c1cncn1C	ZINC001131076014	940491258	/nfs/dbraw/zinc/49/12/58/940491258.db2.gz	DYOXGNUEYMOTKG-CHWSQXEVSA-N	1	0	354.376	1.670	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc(OC)c2F)C[C@H]1c1cncn1C	ZINC001131093780	940496553	/nfs/dbraw/zinc/49/65/53/940496553.db2.gz	JPDHYCWURDCLMJ-HZPDHXFCSA-N	1	0	370.428	1.789	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2cnn(C)c2)C[C@H]1c1cncn1C	ZINC001131097055	940497658	/nfs/dbraw/zinc/49/76/58/940497658.db2.gz	XWWIWWKFYRSELW-KBAYOESNSA-N	1	0	370.501	1.493	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCCn2cncn2)C[C@H]1c1cncn1C	ZINC001131103282	940500944	/nfs/dbraw/zinc/50/09/44/940500944.db2.gz	BLJVKCFBYKZWBM-IAGOWNOFSA-N	1	0	371.489	1.342	20	30		FDEDRO
C[NH+](C)CCN1c2ccccc2C(=NNc2cn[nH]c(=O)c2Cl)C1=O	ZINC000807959554	940503142	/nfs/dbraw/zinc/50/31/42/940503142.db2.gz	VHANSTIUVATKPW-UHFFFAOYSA-N	1	0	360.805	1.560	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@H]1c1cncn1C	ZINC001131117510	940504293	/nfs/dbraw/zinc/50/42/93/940504293.db2.gz	BBZBTAFOPNQFCQ-HZPDHXFCSA-N	1	0	355.442	1.685	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2nc(C)c(C)s2)C[C@H]1c1cncn1C	ZINC001131123494	940507071	/nfs/dbraw/zinc/50/70/71/940507071.db2.gz	GTEZWPSOARHNGT-HUUCEWRRSA-N	1	0	357.483	1.715	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)n2nc(C)cc2C)C[C@H]1c1cncn1C	ZINC001131130281	940510851	/nfs/dbraw/zinc/51/08/51/940510851.db2.gz	FFARJZODMZSDOT-RCCFBDPRSA-N	1	0	370.501	1.955	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)n2nc(C)cc2C)C[C@H]1c1cncn1C	ZINC001131130455	940511120	/nfs/dbraw/zinc/51/11/20/940511120.db2.gz	NUGGQHRQTOCODP-KZNAEPCWSA-N	1	0	368.485	1.402	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@](C)(NC(C)=O)C(C)C)C[C@H]1c1cncn1C	ZINC001131130622	940511339	/nfs/dbraw/zinc/51/13/39/940511339.db2.gz	WAUPJNJQBKEEFH-MDZRGWNJSA-N	1	0	361.490	1.041	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1c1cncn1C	ZINC001131130647	940511508	/nfs/dbraw/zinc/51/15/08/940511508.db2.gz	XCGHEMIQHSMLJC-GVDBMIGSSA-N	1	0	356.474	1.556	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC2CC(C)C2)C1	ZINC001131136425	940513502	/nfs/dbraw/zinc/51/35/02/940513502.db2.gz	MULDYYMQGGXSMO-OPQOLIRYSA-N	1	0	360.502	1.943	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccccn2)C1	ZINC001131136511	940513620	/nfs/dbraw/zinc/51/36/20/940513620.db2.gz	QGBYPCLVKWGMFY-KBAYOESNSA-N	1	0	369.469	1.490	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)C2CCOCC2)C[C@H]1c1cncn1C	ZINC001131136689	940513690	/nfs/dbraw/zinc/51/36/90/940513690.db2.gz	ZGNLWMQRKBDGCC-KBAYOESNSA-N	1	0	360.502	1.943	20	30		FDEDRO
C=CCOc1ccc(/C=C\C(=O)N[C@H](CO)C[NH+]2CCCC2)cc1OC	ZINC000808217839	940528975	/nfs/dbraw/zinc/52/89/75/940528975.db2.gz	DSZIPAWXABWFQD-KMDWOBIYSA-N	1	0	360.454	1.846	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cnn(CC)c3)C2)C1=O	ZINC001086661982	940536020	/nfs/dbraw/zinc/53/60/20/940536020.db2.gz	SZJHVPWFWUERDV-UAGQMJEPSA-N	1	0	359.474	1.178	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3nccnc3N)C2)c1	ZINC001086662094	940536095	/nfs/dbraw/zinc/53/60/95/940536095.db2.gz	YLVUAWPHDPPLOP-JKSUJKDBSA-N	1	0	350.426	1.619	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)COCCC)C1	ZINC001131306892	940548755	/nfs/dbraw/zinc/54/87/55/940548755.db2.gz	BNUPBVLZQQNBHY-ZACQAIPSSA-N	1	0	365.474	1.485	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CC4CC4)C[C@H]32)C1	ZINC001131307350	940549074	/nfs/dbraw/zinc/54/90/74/940549074.db2.gz	PSVQXXXXWATPNG-ZACQAIPSSA-N	1	0	359.470	1.552	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(C)=O)CC1	ZINC001131402057	940561713	/nfs/dbraw/zinc/56/17/13/940561713.db2.gz	XPMLKZBIKXJVHI-IPELMVKDSA-N	1	0	365.518	1.805	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCC)CC1	ZINC001131424813	940566699	/nfs/dbraw/zinc/56/66/99/940566699.db2.gz	WTOQZWRMBOEVPI-SUMDDJOVSA-N	1	0	363.502	1.300	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)C(C)=O)CC1	ZINC001131429384	940567323	/nfs/dbraw/zinc/56/73/23/940567323.db2.gz	BRJRKOWXAPODGA-MJGOQNOKSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)NC(C)=O)CC1	ZINC001131417056	940567700	/nfs/dbraw/zinc/56/77/00/940567700.db2.gz	TWWZNGBJZQGJNB-WQVCFCJDSA-N	1	0	357.882	1.249	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)SC)CC1	ZINC001131431981	940595343	/nfs/dbraw/zinc/59/53/43/940595343.db2.gz	YKTNCQOTVRHYEL-OIISXLGYSA-N	1	0	354.516	1.373	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)OCC)CC1	ZINC001131434267	940598487	/nfs/dbraw/zinc/59/84/87/940598487.db2.gz	YAGQHYNFZBGDBZ-JQHSSLGASA-N	1	0	354.491	1.600	20	30		FDEDRO
C=CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCNC(=O)C2CC2)CC1	ZINC001131448625	940602318	/nfs/dbraw/zinc/60/23/18/940602318.db2.gz	JHZHPJXPLNPWQH-MJGOQNOKSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)/C(C)=C\CC)CC1	ZINC001131456587	940611083	/nfs/dbraw/zinc/61/10/83/940611083.db2.gz	VLEORONKXFNDQP-OWUGGELOSA-N	1	0	363.502	1.631	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn(C)c2N)CC1	ZINC001131475829	940618191	/nfs/dbraw/zinc/61/81/91/940618191.db2.gz	DMUKQJJNZAAYSL-SJORKVTESA-N	1	0	361.490	1.568	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(F)=C(C)C)CC1	ZINC001131473317	940628381	/nfs/dbraw/zinc/62/83/81/940628381.db2.gz	ZRRNHPDTGGLOIL-QAPCUYQASA-N	1	0	367.465	1.538	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn(C)nn2)CC1	ZINC001131488053	940632533	/nfs/dbraw/zinc/63/25/33/940632533.db2.gz	VIIJHAURBHPDQV-KYJSFNMBSA-N	1	0	361.490	1.769	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NCC1CC[NH+](CCC(C)C)CC1)[C@@H]1CCCO1	ZINC000808837795	940634289	/nfs/dbraw/zinc/63/42/89/940634289.db2.gz	CFKMBMSSDKDNFJ-ROUUACIJSA-N	1	0	363.502	1.158	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2coc(C)n2)CC1	ZINC001131483171	940638857	/nfs/dbraw/zinc/63/88/57/940638857.db2.gz	QYSOKFXNEQPLMC-AEFFLSMTSA-N	1	0	361.442	1.232	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)/C=C(/C)CC)CC1	ZINC001131493642	940644578	/nfs/dbraw/zinc/64/45/78/940644578.db2.gz	KUHMVDPFYRKJII-ULTSILNXSA-N	1	0	363.502	1.631	20	30		FDEDRO
C#CCOCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2ccccn2)CC1	ZINC001131498858	940649298	/nfs/dbraw/zinc/64/92/98/940649298.db2.gz	PWNCDSKCSKXPES-CTNGQTDRSA-N	1	0	371.481	1.607	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)C2CCCC2)CC1	ZINC001131502318	940652613	/nfs/dbraw/zinc/65/26/13/940652613.db2.gz	AFSKIPWTWNMFGW-MJGOQNOKSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)NC(=O)CC)CC1	ZINC001131506597	940668788	/nfs/dbraw/zinc/66/87/88/940668788.db2.gz	GQUMECXPTAJIPP-SUMDDJOVSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)C3CC(F)(F)C3)C2)C1=O	ZINC001086670013	940675388	/nfs/dbraw/zinc/67/53/88/940675388.db2.gz	IGTGRLRLUIYPKO-CFVMTHIKSA-N	1	0	355.429	1.693	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cncc(COC)c2)CC1	ZINC001131515410	940680282	/nfs/dbraw/zinc/68/02/82/940680282.db2.gz	ISXXXSWGEFMQAU-UXHICEINSA-N	1	0	371.481	1.851	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCc3cncn3C2)CC1	ZINC001131522737	940706469	/nfs/dbraw/zinc/70/64/69/940706469.db2.gz	WOWHDNKOBAXAIB-RLLQIKCJSA-N	1	0	370.497	1.455	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2nc(C)cc2C)CC1	ZINC001131526176	940710790	/nfs/dbraw/zinc/71/07/90/940710790.db2.gz	CWAYNSLIYSDMRX-QUCCMNQESA-N	1	0	358.486	1.509	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccnc(OC)c2)CC1	ZINC001131526544	940711386	/nfs/dbraw/zinc/71/13/86/940711386.db2.gz	YNWBKRNOEASZFO-MJGOQNOKSA-N	1	0	357.454	1.713	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ncnc3[nH]ccc32)CC1	ZINC001131526535	940711454	/nfs/dbraw/zinc/71/14/54/940711454.db2.gz	YCWJUSHYGGEHCT-AEFFLSMTSA-N	1	0	367.453	1.532	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(C)CCC2)CC1	ZINC001131541239	940715295	/nfs/dbraw/zinc/71/52/95/940715295.db2.gz	FHYCAUOHPPZPSJ-AEFFLSMTSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](F)CC)CC1	ZINC001131541626	940716268	/nfs/dbraw/zinc/71/62/68/940716268.db2.gz	VIPAXRGMHYHAAT-INMHGKMJSA-N	1	0	355.454	1.022	20	30		FDEDRO
C#CCCCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NC)CC1	ZINC001131543555	940719536	/nfs/dbraw/zinc/71/95/36/940719536.db2.gz	ICZWFCLHHZWRHA-XLIONFOSSA-N	1	0	363.502	1.302	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccn3nnnc3c2)CC1	ZINC001131538712	940726621	/nfs/dbraw/zinc/72/66/21/940726621.db2.gz	UAGMMVYNEJZKJO-AEFFLSMTSA-N	1	0	370.457	1.300	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](OC)C(C)C)CC1	ZINC001131555795	940730989	/nfs/dbraw/zinc/73/09/89/940730989.db2.gz	XJHPUQPPILSGEO-QYZOEREBSA-N	1	0	366.502	1.293	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)Oc2cccnc2)CC1	ZINC001131562529	940736334	/nfs/dbraw/zinc/73/63/34/940736334.db2.gz	XGFWFOWFEREYNH-DBVUQKKJSA-N	1	0	371.481	1.858	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCc3nn[nH]c32)CC1	ZINC001131550502	940739022	/nfs/dbraw/zinc/73/90/22/940739022.db2.gz	WUZBYEHHKWDDHZ-SUMDDJOVSA-N	1	0	371.485	1.234	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCCC(=O)N2)CC1	ZINC001131564517	940740625	/nfs/dbraw/zinc/74/06/25/940740625.db2.gz	MRVAWCBATWJIKZ-LMMKCTJWSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)NC(C)=O)CC1	ZINC001131578003	940755137	/nfs/dbraw/zinc/75/51/37/940755137.db2.gz	KBAIMIFBWSDMBG-MSOLQXFVSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC#CC)CC2)nn1	ZINC001131578294	940755568	/nfs/dbraw/zinc/75/55/68/940755568.db2.gz	PQDQAYGMHZCFTL-MJGOQNOKSA-N	1	0	371.485	1.477	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCCCOC)CC1	ZINC001131590775	940760799	/nfs/dbraw/zinc/76/07/99/940760799.db2.gz	SBQZDJZSRUTTCR-QUCCMNQESA-N	1	0	368.518	1.991	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCC(=O)NCCC)CC1	ZINC001131595467	940778298	/nfs/dbraw/zinc/77/82/98/940778298.db2.gz	YVHOYNOCXDOIHK-XLIONFOSSA-N	1	0	365.518	1.855	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2Cc3cccnc3C2)CC1	ZINC001131599744	940783102	/nfs/dbraw/zinc/78/31/02/940783102.db2.gz	JZORJIICROCJQG-ZVDOUQERSA-N	1	0	367.493	1.805	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](CCC)NC(N)=O)CC1	ZINC001131599891	940783527	/nfs/dbraw/zinc/78/35/27/940783527.db2.gz	PMCZGGUUBZLEQK-ZACQAIPSSA-N	1	0	366.506	1.385	20	30		FDEDRO
COc1ccc([C@H](O)C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1	ZINC000809204033	940784506	/nfs/dbraw/zinc/78/45/06/940784506.db2.gz	MPBBGDMJXYNKPB-MRXNPFEDSA-N	1	0	361.423	1.059	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](CC(C)C)C(N)=O)CC1	ZINC001131621533	940786053	/nfs/dbraw/zinc/78/60/53/940786053.db2.gz	YNLZYENHXSTQGO-KURKYZTESA-N	1	0	363.502	1.143	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@](C)(NC(C)=O)C(C)C)CC1	ZINC001131608505	940788208	/nfs/dbraw/zinc/78/82/08/940788208.db2.gz	CGSUNPHGQUPBPI-HBFSDRIKSA-N	1	0	363.502	1.156	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC#CCOC)CC1	ZINC001131610145	940789297	/nfs/dbraw/zinc/78/92/97/940789297.db2.gz	BGNUJNAAOKGWMM-UHOSZYNNSA-N	1	0	364.486	1.213	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC#CCOC)CC1	ZINC001131610144	940789460	/nfs/dbraw/zinc/78/94/60/940789460.db2.gz	BGNUJNAAOKGWMM-QRQLOZEOSA-N	1	0	364.486	1.213	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)C[C@@H]1C[C@H]1Cc1ccccc1	ZINC001131626644	940799816	/nfs/dbraw/zinc/79/98/16/940799816.db2.gz	BXYZIQRQQNGUHW-MOPGFXCFSA-N	1	0	370.497	1.723	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC[C@@H](C(CC)CC)[NH+]1CCCC1)[C@H]1CCCO1	ZINC000809313729	940816947	/nfs/dbraw/zinc/81/69/47/940816947.db2.gz	UQYAZCBXZGRDJA-OKZBNKHCSA-N	1	0	363.502	1.300	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1)C(=O)N1CCCCC1	ZINC001086673478	940836094	/nfs/dbraw/zinc/83/60/94/940836094.db2.gz	JDDQSCZNKYTPHW-HRCADAONSA-N	1	0	371.485	1.775	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1C#N	ZINC000809503335	940845390	/nfs/dbraw/zinc/84/53/90/940845390.db2.gz	YHWPBWWNCJTHGK-QGZVFWFLSA-N	1	0	370.453	1.270	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@@](C)(O)CNC(=O)OC(C)(C)C	ZINC000809966649	940926918	/nfs/dbraw/zinc/92/69/18/940926918.db2.gz	JUVLRMQTIQSUDI-KRWDZBQOSA-N	1	0	366.466	1.004	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1)c1nnnn1C1CC1	ZINC001086676237	940932794	/nfs/dbraw/zinc/93/27/94/940932794.db2.gz	JNYVTNCBUQANMS-FRRDWIJNSA-N	1	0	368.445	1.457	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1	ZINC000810071063	940945795	/nfs/dbraw/zinc/94/57/95/940945795.db2.gz	VSGVQWJNHMEWMP-VXGBXAGGSA-N	1	0	360.380	1.328	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ncccc3O)C2)C1=O	ZINC001086678685	940976158	/nfs/dbraw/zinc/97/61/58/940976158.db2.gz	FYRGAMPMQOCQMF-ZNMIVQPWSA-N	1	0	358.442	1.062	20	30		FDEDRO
Cn1nncc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC001086686788	941074917	/nfs/dbraw/zinc/07/49/17/941074917.db2.gz	HYBROQBGGQWRMP-DZGCQCFKSA-N	1	0	356.405	1.514	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1	ZINC001132863070	941138106	/nfs/dbraw/zinc/13/81/06/941138106.db2.gz	KFCZMBNMHHAFMC-IJLUTSLNSA-N	1	0	355.891	1.902	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1CNc1ccc(S(N)(=O)=O)cc1C#N	ZINC000811783368	941159262	/nfs/dbraw/zinc/15/92/62/941159262.db2.gz	FCDGTRYYUKRFRK-UHFFFAOYSA-N	1	0	374.466	1.758	20	30		FDEDRO
C[C@@H]1CNC(NN=C2CCN(C(=O)OC(C)(C)C)C[C@H]2[C@H]2CCOC2)=[NH+]1	ZINC000812227461	941187224	/nfs/dbraw/zinc/18/72/24/941187224.db2.gz	CZACVHGIXLAYJR-RDBSUJKOSA-N	1	0	365.478	1.573	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C3CS(=O)(=O)C3)C2)s1	ZINC001086705346	941244679	/nfs/dbraw/zinc/24/46/79/941244679.db2.gz	RDGWCMGDCCWLBY-WCQYABFASA-N	1	0	367.496	1.039	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1	ZINC000747816676	941272037	/nfs/dbraw/zinc/27/20/37/941272037.db2.gz	OHGUHMQPELJQJD-AWEZNQCLSA-N	1	0	359.392	1.249	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(=O)NCCCOc2cccc(C)c2)CC1	ZINC000747816574	941274358	/nfs/dbraw/zinc/27/43/58/941274358.db2.gz	JGBNZPZEGQLGNU-UHFFFAOYSA-N	1	0	371.481	1.342	20	30		FDEDRO
CC1(C)[C@@H](O)CC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000812865392	941289015	/nfs/dbraw/zinc/28/90/15/941289015.db2.gz	NSWNWULJHJJLDX-ROUUACIJSA-N	1	0	374.460	1.380	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)c1	ZINC000813025905	941309760	/nfs/dbraw/zinc/30/97/60/941309760.db2.gz	DVPKLBAISJRCIP-LJQANCHMSA-N	1	0	363.417	1.812	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccc(F)cc1	ZINC000813041940	941314814	/nfs/dbraw/zinc/31/48/14/941314814.db2.gz	QEGXCEPPGSMOOS-MRXNPFEDSA-N	1	0	357.389	1.013	20	30		FDEDRO
C[NH+](C)C[C@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)c1ccc(F)cc1	ZINC000813618608	941423061	/nfs/dbraw/zinc/42/30/61/941423061.db2.gz	NGDWJIUQFBYSMH-MJWGMMHASA-N	1	0	374.416	1.461	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2ccco2)c1	ZINC001134131789	941568275	/nfs/dbraw/zinc/56/82/75/941568275.db2.gz	FKKZHMFTUVZSHJ-IAGOWNOFSA-N	1	0	351.406	1.709	20	30		FDEDRO
CNC(=O)[C@H](C)C[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N	ZINC000747965978	941697865	/nfs/dbraw/zinc/69/78/65/941697865.db2.gz	CNVSIFADSDAMLG-OCCSQVGLSA-N	1	0	351.410	1.538	20	30		FDEDRO
COc1ccc(N2CC[NH+](C[C@@H](O)CN(C)CC(C)(C)C#N)CC2)cc1	ZINC000814669057	941705329	/nfs/dbraw/zinc/70/53/29/941705329.db2.gz	KCFKOWUXHYNPTA-SFHVURJKSA-N	1	0	360.502	1.660	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CC1	ZINC000747980243	941726912	/nfs/dbraw/zinc/72/69/12/941726912.db2.gz	UMSPFOILJPHUFU-GOSISDBHSA-N	1	0	374.460	1.599	20	30		FDEDRO
CS(=O)(=O)Nc1ccc(N2CC[NH+](CCOCCC#N)CC2)cc1	ZINC000815080875	941776191	/nfs/dbraw/zinc/77/61/91/941776191.db2.gz	LQBXIQLZHOJNAA-UHFFFAOYSA-N	1	0	352.460	1.110	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCn3ncc(Br)c3C2)CC1	ZINC000856009302	970839769	/nfs/dbraw/zinc/83/97/69/970839769.db2.gz	CSRSMYAIJRGYOO-UHFFFAOYSA-N	1	0	351.248	1.333	20	30		FDEDRO
CCc1ccc(C#CC(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1	ZINC000815251817	941809141	/nfs/dbraw/zinc/80/91/41/941809141.db2.gz	YMOHXIJTUWPLMC-LJQANCHMSA-N	1	0	353.466	1.541	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]Cc1cc(CO)ccc1F	ZINC001135065076	941881646	/nfs/dbraw/zinc/88/16/46/941881646.db2.gz	UMIYNEYEEXRTHS-WMZOPIPTSA-N	1	0	350.434	1.895	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCc2ccccc2NC1=O	ZINC001135142199	941927336	/nfs/dbraw/zinc/92/73/36/941927336.db2.gz	KSWFKLWIHPNGBS-SZMVWBNQSA-N	1	0	357.454	1.627	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C(=O)N(C)C)cc1	ZINC001135146013	941930263	/nfs/dbraw/zinc/93/02/63/941930263.db2.gz	ZEQQSJXTAXDHJB-ROUUACIJSA-N	1	0	359.470	1.575	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)cc1F	ZINC001135138354	941933413	/nfs/dbraw/zinc/93/34/13/941933413.db2.gz	AKFJCOPPLYCEMR-SJLPKXTDSA-N	1	0	371.416	1.205	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccccc1CC	ZINC001135148031	941935003	/nfs/dbraw/zinc/93/50/03/941935003.db2.gz	ZLDFEYYRORTRBB-LPHOPBHVSA-N	1	0	359.470	1.875	20	30		FDEDRO
CCc1ccc(C#CC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1	ZINC000815825889	941980897	/nfs/dbraw/zinc/98/08/97/941980897.db2.gz	OOZPBYKSJICORW-LJQANCHMSA-N	1	0	353.466	1.366	20	30		FDEDRO
C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3ccc(F)cc3OCC#N)C2)C1	ZINC000815830663	941981646	/nfs/dbraw/zinc/98/16/46/941981646.db2.gz	JLHNLYGCGUVXTJ-IBGZPJMESA-N	1	0	374.416	1.611	20	30		FDEDRO
CCc1ccc(C#CC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc1	ZINC000815879320	941993748	/nfs/dbraw/zinc/99/37/48/941993748.db2.gz	RIONKQANDKQQOR-IBGZPJMESA-N	1	0	357.498	1.809	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cnn(-c2ccccc2Cl)c1	ZINC000815860177	941996471	/nfs/dbraw/zinc/99/64/71/941996471.db2.gz	ZDGJYFARRHQHEI-UHFFFAOYSA-N	1	0	373.844	1.536	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cnc(Br)cc1C	ZINC000815859845	941996929	/nfs/dbraw/zinc/99/69/29/941996929.db2.gz	OMTRXVXAJMVHSP-UHFFFAOYSA-N	1	0	367.247	1.162	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccn([C@@H](C)c2ccccc2)n1	ZINC000815860869	941997392	/nfs/dbraw/zinc/99/73/92/941997392.db2.gz	DZVHTMGLEIKXCE-INIZCTEOSA-N	1	0	367.453	1.502	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)N1CCc2c1cccc2C(F)(F)F	ZINC000815861023	941997566	/nfs/dbraw/zinc/99/75/66/941997566.db2.gz	NEMSSXWVYGFIOZ-UHFFFAOYSA-N	1	0	367.371	1.666	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccncc3CC)C2)C1=O	ZINC001086738665	942152699	/nfs/dbraw/zinc/15/26/99/942152699.db2.gz	LIYFBFVNTRWIII-KVSKMBFKSA-N	1	0	370.497	1.919	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC2(C)C)C1	ZINC001195367087	970889430	/nfs/dbraw/zinc/88/94/30/970889430.db2.gz	SDCCACBPCLJGOS-GVDBMIGSSA-N	1	0	365.518	1.399	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N[C@@H]1CN(c2ccc(Br)cc2)C1=O	ZINC000817028476	942468698	/nfs/dbraw/zinc/46/86/98/942468698.db2.gz	JHLAPMKNYKPWAW-CYBMUJFWSA-N	1	0	352.232	1.398	20	30		FDEDRO
N#CCOc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCNC3=O)C2)cc1	ZINC001086776964	942474812	/nfs/dbraw/zinc/47/48/12/942474812.db2.gz	XHTLPHNSYHJTDH-LZLYRXPVSA-N	1	0	370.453	1.100	20	30		FDEDRO
Cn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)[nH]c1=O	ZINC001086794182	942532942	/nfs/dbraw/zinc/53/29/42/942532942.db2.gz	GDYNQYDGRIQHLO-SWLSCSKDSA-N	1	0	371.416	1.825	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3conc3CC)C2)C1=O	ZINC001086795822	942539014	/nfs/dbraw/zinc/53/90/14/942539014.db2.gz	HIGAPDJBEVBPEX-JJRVBVJISA-N	1	0	360.458	1.512	20	30		FDEDRO
C#C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)C1CCOCC1	ZINC000856109512	970915549	/nfs/dbraw/zinc/91/55/49/970915549.db2.gz	QZJLRWAMRFAXGO-GOSISDBHSA-N	1	0	356.470	1.138	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001086804101	942768286	/nfs/dbraw/zinc/76/82/86/942768286.db2.gz	RGOQYQAMNXECQH-ZSYWTGECSA-N	1	0	368.481	1.657	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1c2ccccc2C[C@H]1CNC(=O)C(F)(F)F	ZINC000817675640	942903516	/nfs/dbraw/zinc/90/35/16/942903516.db2.gz	SVUHFQYNCOPZHH-ZDUSSCGKSA-N	1	0	355.360	1.741	20	30		FDEDRO
C=CCCN(OCc1ccccc1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1	ZINC000817984982	943118729	/nfs/dbraw/zinc/11/87/29/943118729.db2.gz	DKTRJJCVUBNXPS-ROUUACIJSA-N	1	0	357.454	1.733	20	30		FDEDRO
C=CCCN(OCc1ccccc1)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1	ZINC000817985391	943118737	/nfs/dbraw/zinc/11/87/37/943118737.db2.gz	JQAUNNGXOQMYJA-FQEVSTJZSA-N	1	0	357.454	1.877	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@]2(C)CC[NH2+]C2)c1	ZINC000818499323	943256120	/nfs/dbraw/zinc/25/61/20/943256120.db2.gz	NKXXOLCRLCMEAI-SWEXZPIWSA-N	1	0	364.471	1.438	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CCn1cnc2sc(C)c(C)c2c1=O	ZINC000818612044	943300952	/nfs/dbraw/zinc/30/09/52/943300952.db2.gz	MESLXYCZTFCGQV-UHFFFAOYSA-N	1	0	360.483	1.536	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000818592834	943324198	/nfs/dbraw/zinc/32/41/98/943324198.db2.gz	BCVLKYUREOFXQI-OAHLLOKOSA-N	1	0	365.499	1.112	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H](CC)C(N)=O)C2)cc1	ZINC001086822259	943334108	/nfs/dbraw/zinc/33/41/08/943334108.db2.gz	YBEFPJQFJMEVJB-LESCRADOSA-N	1	0	357.454	1.451	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[NH2+]CCS(=O)(=O)NCc2ccccc2)cc1	ZINC000818960654	943343127	/nfs/dbraw/zinc/34/31/27/943343127.db2.gz	JNUCOPXTLJSWPK-SFHVURJKSA-N	1	0	359.451	1.301	20	30		FDEDRO
CNS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)s1	ZINC000818948584	943358825	/nfs/dbraw/zinc/35/88/25/943358825.db2.gz	RVAUOWSSLLGKHG-AWEZNQCLSA-N	1	0	351.453	1.351	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3c(C)noc3C)C2)nn1	ZINC001086823858	943370435	/nfs/dbraw/zinc/37/04/35/943370435.db2.gz	ZUCINYTWIOIDTL-LSDHHAIUSA-N	1	0	358.446	1.757	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCC3CCOCC3)C2)nn1	ZINC001086823549	943389735	/nfs/dbraw/zinc/38/97/35/943389735.db2.gz	KDRLQWAUOHJIFA-DLBZAZTESA-N	1	0	361.490	1.769	20	30		FDEDRO
Cc1ccc(C)c(OC[C@@H](O)C[NH2+]CCNC(=O)C2N=CC=CC2=O)c1	ZINC000819049611	943394944	/nfs/dbraw/zinc/39/49/44/943394944.db2.gz	MDPBMGJNIYHVPO-MJWGMMHASA-N	1	0	359.426	1.159	20	30		FDEDRO
CC(C)c1ccccc1OC[C@@H](O)C[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000819053024	943395548	/nfs/dbraw/zinc/39/55/48/943395548.db2.gz	IBPASKBLWDPSQV-CVTQAYBASA-N	1	0	373.453	1.666	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCn3cccn3)C2)nn1	ZINC001086825178	943441352	/nfs/dbraw/zinc/44/13/52/943441352.db2.gz	VSSGZJAWOAKKNL-JKSUJKDBSA-N	1	0	357.462	1.239	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[NH2+]CCNS(=O)(=O)c2cccs2)cc1	ZINC000819183792	943466353	/nfs/dbraw/zinc/46/63/53/943466353.db2.gz	SERDXIMPRPQUBT-CQSZACIVSA-N	1	0	351.453	1.221	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1	ZINC000819222560	943494921	/nfs/dbraw/zinc/49/49/21/943494921.db2.gz	RYYVJVLVTLWKNH-CYBMUJFWSA-N	1	0	353.362	1.809	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)cc1	ZINC000819235187	943500739	/nfs/dbraw/zinc/50/07/39/943500739.db2.gz	NKBWCTJRXRSOAE-LJQANCHMSA-N	1	0	371.462	1.921	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)cc1	ZINC000819295209	943507360	/nfs/dbraw/zinc/50/73/60/943507360.db2.gz	RPHGJYRBASUIIK-AZUAARDMSA-N	1	0	365.433	1.861	20	30		FDEDRO
C#CC[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)CN1C(=O)c2ccccc2C1=O	ZINC000819305059	943510536	/nfs/dbraw/zinc/51/05/36/943510536.db2.gz	LNBQRMDMMQGVPD-ROUUACIJSA-N	1	0	362.429	1.868	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnn(CC)n2)C1	ZINC001086826386	943540530	/nfs/dbraw/zinc/54/05/30/943540530.db2.gz	NHGXKBLAMOAAEG-MVJTYMMSSA-N	1	0	361.490	1.654	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1	ZINC001086826468	943544210	/nfs/dbraw/zinc/54/42/10/943544210.db2.gz	RGTZDIZMFFZXCK-KPEUIFRASA-N	1	0	374.489	1.364	20	30		FDEDRO
CCOC(=O)Nc1ccc(NC[C@H](O)C[NH+]2CCN(C)CC2)cc1C#N	ZINC000819462348	943601360	/nfs/dbraw/zinc/60/13/60/943601360.db2.gz	QQSDSYOIRKYVGK-INIZCTEOSA-N	1	0	361.446	1.147	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C1=C2CCCN=C2NN1	ZINC001136286403	943820765	/nfs/dbraw/zinc/82/07/65/943820765.db2.gz	QXTFIMUGUXQRHA-UHFFFAOYSA-N	1	0	352.442	1.003	20	30		FDEDRO
CCC(CC)Nc1cc[nH+]cc1NC(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000820139981	943911115	/nfs/dbraw/zinc/91/11/15/943911115.db2.gz	WGHDOYNGOALORG-HNENSFHCSA-N	1	0	371.441	1.959	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)s1	ZINC000820259285	943963626	/nfs/dbraw/zinc/96/36/26/943963626.db2.gz	XHFAWDHTBJTAFR-CYBMUJFWSA-N	1	0	371.528	1.308	20	30		FDEDRO
CON=C(C(=O)N1CC[N@H+](C)CC12CCCCC2)c1csc(N)n1	ZINC000820445580	944044825	/nfs/dbraw/zinc/04/48/25/944044825.db2.gz	KDJWTXNFAWYLRS-UHFFFAOYSA-N	1	0	351.476	1.553	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ccccc1	ZINC000820600182	944139379	/nfs/dbraw/zinc/13/93/79/944139379.db2.gz	UCDSYITXTCZUFC-MSOLQXFVSA-N	1	0	354.454	1.309	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1	ZINC001086839267	944234117	/nfs/dbraw/zinc/23/41/17/944234117.db2.gz	VLCRXZFEWAQYAQ-SUMWQHHRSA-N	1	0	365.437	1.674	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3nn(C)cc32)C1	ZINC001195615328	971082255	/nfs/dbraw/zinc/08/22/55/971082255.db2.gz	RWEXWVJZTXDLOF-KFKAGJAMSA-N	1	0	360.502	1.748	20	30		FDEDRO
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1	ZINC000821399281	944474110	/nfs/dbraw/zinc/47/41/10/944474110.db2.gz	CEDDNDPENLRQNZ-GOSISDBHSA-N	1	0	357.454	1.817	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3nn(C)cc32)C1	ZINC001195640714	971104223	/nfs/dbraw/zinc/10/42/23/971104223.db2.gz	LVZYVKNARBQTHM-ATZDWAIDSA-N	1	0	362.518	1.972	20	30		FDEDRO
COCC[N@H+](C)Cc1ccnc(NC(=N)c2ccc(C(=O)OC)cc2)c1	ZINC001170988582	945032081	/nfs/dbraw/zinc/03/20/81/945032081.db2.gz	SYJZXMPAYLRXFR-UHFFFAOYSA-N	1	0	356.426	1.983	20	30		FDEDRO
CON=C(C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)c1csc(N)n1	ZINC000823111588	945452890	/nfs/dbraw/zinc/45/28/90/945452890.db2.gz	FWPQAQVALNOXQG-LLVKDONJSA-N	1	0	351.476	1.409	20	30		FDEDRO
C#C[C@H](NC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C1CCOCC1	ZINC000823158247	945540550	/nfs/dbraw/zinc/54/05/50/945540550.db2.gz	FQWQUGGEYQUMGR-PMACEKPBSA-N	1	0	371.481	1.481	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCc2cccs2)C[C@H]1O	ZINC001195726574	971157822	/nfs/dbraw/zinc/15/78/22/971157822.db2.gz	YTBOOEYHTRCFPK-DJIMGWMZSA-N	1	0	368.499	1.143	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1(C#N)CCC1	ZINC000823516194	945824661	/nfs/dbraw/zinc/82/46/61/945824661.db2.gz	ZKUJAWMBDYKCTD-ZIAGYGMSSA-N	1	0	350.463	1.974	20	30		FDEDRO
C[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1NC(=O)CCC[NH+]1CCCC1	ZINC001090723160	945983085	/nfs/dbraw/zinc/98/30/85/945983085.db2.gz	GVNGUKLKMSKPNQ-RHSMWYFYSA-N	1	0	359.449	1.909	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)n1	ZINC001090723844	945986151	/nfs/dbraw/zinc/98/61/51/945986151.db2.gz	VPTSTMYXQODKBF-RHSMWYFYSA-N	1	0	356.474	1.474	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCC(Oc2ccc(C(=O)N(C)C)cn2)CC1	ZINC000824464223	946487721	/nfs/dbraw/zinc/48/77/21/946487721.db2.gz	IOGIUSDZSWLJRA-UHFFFAOYSA-N	1	0	360.458	1.271	20	30		FDEDRO
C#CCCCC(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573284477	946748041	/nfs/dbraw/zinc/74/80/41/946748041.db2.gz	DNTFTZXRVOQURR-UHFFFAOYSA-N	1	0	352.442	1.749	20	30		FDEDRO
C#CCCCC(=O)N1CCCC[C@H]1CNc1cc(C)[nH+]cc1-c1nn[nH]n1	ZINC001573285169	946770822	/nfs/dbraw/zinc/77/08/22/946770822.db2.gz	TUXAPCWUSDBOIW-HNNXBMFYSA-N	1	0	367.457	1.589	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccc(-c2nn[nH]n2)cc1	ZINC000824555499	946800019	/nfs/dbraw/zinc/80/00/19/946800019.db2.gz	WVETZNQOPOSLOY-ZDUSSCGKSA-N	1	0	353.430	1.860	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)NCC[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573286840	946819700	/nfs/dbraw/zinc/81/97/00/946819700.db2.gz	IWUGDGFWGGRJIW-STQMWFEESA-N	1	0	374.420	1.029	20	30		FDEDRO
C=CCN1CCN(C)C2(CC[NH+](Cc3cnc4c(C)cccn34)CC2)C1=O	ZINC001136963038	946855672	/nfs/dbraw/zinc/85/56/72/946855672.db2.gz	ICNLBHQMAWIMRR-UHFFFAOYSA-N	1	0	367.497	1.937	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)cc1	ZINC001573288154	946858361	/nfs/dbraw/zinc/85/83/61/946858361.db2.gz	PDYZFOPAILNZPZ-MRXNPFEDSA-N	1	0	373.420	1.300	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000824935284	946884640	/nfs/dbraw/zinc/88/46/40/946884640.db2.gz	QTWJEQUJNIPSED-FHLIZLRMSA-N	1	0	370.453	1.057	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573292767	946937952	/nfs/dbraw/zinc/93/79/52/946937952.db2.gz	BJKUMEQUGLCQGW-MRVPVSSYSA-N	1	0	368.239	1.059	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@H]1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1	ZINC001573292760	946938475	/nfs/dbraw/zinc/93/84/75/946938475.db2.gz	AVXTZQBDXNWCDJ-HIFRSBDPSA-N	1	0	369.473	1.983	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1	ZINC001573293222	946952017	/nfs/dbraw/zinc/95/20/17/946952017.db2.gz	PDPLHIPRHYCXJQ-OKILXGFUSA-N	1	0	367.457	1.759	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1	ZINC001573560605	946954301	/nfs/dbraw/zinc/95/43/01/946954301.db2.gz	DLACSQSOZIPIRC-ZDUSSCGKSA-N	1	0	353.430	1.449	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1	ZINC000825081007	946969689	/nfs/dbraw/zinc/96/96/89/946969689.db2.gz	ZMKJGPRQIGREDN-HNNXBMFYSA-N	1	0	358.442	1.462	20	30		FDEDRO
C[C@H](COCC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1C)[NH+]1CCCC1	ZINC001090822002	946973257	/nfs/dbraw/zinc/97/32/57/946973257.db2.gz	BHHIYMRRXDQMBN-JFIYKMOQSA-N	1	0	371.485	1.395	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)CC(C)(C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573562582	946976573	/nfs/dbraw/zinc/97/65/73/946976573.db2.gz	UVEVQBYTMPLOBR-CYBMUJFWSA-N	1	0	355.446	1.601	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CC1	ZINC001573562998	946980760	/nfs/dbraw/zinc/98/07/60/946980760.db2.gz	YJRJROBTODLOSY-WBMJQRKESA-N	1	0	353.430	1.353	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC([C@H](C)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1	ZINC001573564768	946996212	/nfs/dbraw/zinc/99/62/12/946996212.db2.gz	KLLDZVCHKBVJHA-KGLIPLIRSA-N	1	0	367.457	1.743	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573564781	946997975	/nfs/dbraw/zinc/99/79/75/946997975.db2.gz	KSHSPNZMMMAZMS-KPZWWZAWSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1	ZINC001573565193	947001887	/nfs/dbraw/zinc/00/18/87/947001887.db2.gz	OKGCIRZPYQNVAT-LBPRGKRZSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCCCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573567307	947043903	/nfs/dbraw/zinc/04/39/03/947043903.db2.gz	LUQGSADLTYUNLK-OLZOCXBDSA-N	1	0	354.418	1.026	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)C1	ZINC001573567557	947046181	/nfs/dbraw/zinc/04/61/81/947046181.db2.gz	OPRAKHPYEXVPAD-STQMWFEESA-N	1	0	373.486	1.758	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001573297751	947065678	/nfs/dbraw/zinc/06/56/78/947065678.db2.gz	KZYOUDZZDKIJJD-NSHDSACASA-N	1	0	351.842	1.681	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1	ZINC001573568093	947066402	/nfs/dbraw/zinc/06/64/02/947066402.db2.gz	XRQMFYBWJOUVGS-XYPHTWIQSA-N	1	0	365.441	1.592	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21	ZINC001573569572	947074800	/nfs/dbraw/zinc/07/48/00/947074800.db2.gz	BNQTVRUNCLKAQQ-APHBMKBZSA-N	1	0	351.414	1.059	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001573298533	947076235	/nfs/dbraw/zinc/07/62/35/947076235.db2.gz	PKDQKGPWRNERGP-HZMBPMFUSA-N	1	0	363.853	1.778	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@](C)(C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C1CC1	ZINC001573570871	947096949	/nfs/dbraw/zinc/09/69/49/947096949.db2.gz	VXVKEGFLZHFHFV-BBATYDOGSA-N	1	0	371.420	1.540	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1(C)C	ZINC001573571896	947104162	/nfs/dbraw/zinc/10/41/62/947104162.db2.gz	BIBVKZYZFOGERH-CZUORRHYSA-N	1	0	367.457	1.743	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1	ZINC001573572007	947107026	/nfs/dbraw/zinc/10/70/26/947107026.db2.gz	CTVZFIVNIZHVRD-NSHDSACASA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1(C)C	ZINC001573572682	947114631	/nfs/dbraw/zinc/11/46/31/947114631.db2.gz	JIRFPBWPRAESSZ-CZUORRHYSA-N	1	0	367.457	1.743	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1	ZINC001573573372	947121079	/nfs/dbraw/zinc/12/10/79/947121079.db2.gz	MZHTXQUMCHZKOE-NSHDSACASA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC1CC(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573574450	947130403	/nfs/dbraw/zinc/13/04/03/947130403.db2.gz	RXDRWXSYNIZGCE-IFQILLTASA-N	1	0	357.393	1.150	20	30		FDEDRO
CC(C)[C@H](CNC(=O)[C@@H](C)C#N)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F	ZINC001573577645	947169745	/nfs/dbraw/zinc/16/97/45/947169745.db2.gz	RUFXLIHCBJCIEB-NHYWBVRUSA-N	1	0	359.409	1.396	20	30		FDEDRO
CC(C)[C@H](CNC(=O)[C@H](C)C#N)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F	ZINC001573577641	947169789	/nfs/dbraw/zinc/16/97/89/947169789.db2.gz	RUFXLIHCBJCIEB-ABAIWWIYSA-N	1	0	359.409	1.396	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)[C@@H](C)C#N)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F	ZINC001573577647	947170088	/nfs/dbraw/zinc/17/00/88/947170088.db2.gz	RUFXLIHCBJCIEB-XHDPSFHLSA-N	1	0	359.409	1.396	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573309534	947202627	/nfs/dbraw/zinc/20/26/27/947202627.db2.gz	KEBBTZKAEYVHMP-QFBILLFUSA-N	1	0	370.457	1.274	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@]1(C)CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573309751	947208434	/nfs/dbraw/zinc/20/84/34/947208434.db2.gz	NXZPDXORHAEJHH-OALUTQOASA-N	1	0	370.457	1.274	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC[C@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573584078	947210815	/nfs/dbraw/zinc/21/08/15/947210815.db2.gz	QGJSJRLDLWGGFD-OLZOCXBDSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573584312	947219026	/nfs/dbraw/zinc/21/90/26/947219026.db2.gz	SXSBEPFVDIDHJM-SMDDNHRTSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@H](C#N)C(=O)NCCC1(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1	ZINC001573584387	947221529	/nfs/dbraw/zinc/22/15/29/947221529.db2.gz	VBOVMQZKWUSGJL-CYBMUJFWSA-N	1	0	353.430	1.402	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573584466	947223385	/nfs/dbraw/zinc/22/33/85/947223385.db2.gz	WKMFBIQBNXVRIB-HIFRSBDPSA-N	1	0	353.430	1.355	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573584468	947224149	/nfs/dbraw/zinc/22/41/49/947224149.db2.gz	WKMFBIQBNXVRIB-ZFWWWQNUSA-N	1	0	353.430	1.355	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1	ZINC001573584620	947229952	/nfs/dbraw/zinc/22/99/52/947229952.db2.gz	ZMYILQJNTRGJEK-XJKSGUPXSA-N	1	0	353.430	1.497	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1	ZINC001573584617	947230561	/nfs/dbraw/zinc/23/05/61/947230561.db2.gz	ZMYILQJNTRGJEK-BBRMVZONSA-N	1	0	353.430	1.497	20	30		FDEDRO
C[C@@H](NC(=O)[C@@H](C)C#N)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1	ZINC001573585445	947257932	/nfs/dbraw/zinc/25/79/32/947257932.db2.gz	PDQNXIWLPXVLGH-NWDGAFQWSA-N	1	0	373.486	1.805	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccccc1-c1nn[nH]n1)C2	ZINC001573586818	947296749	/nfs/dbraw/zinc/29/67/49/947296749.db2.gz	UHQAKAATMNKWBG-RFUYNDQBSA-N	1	0	365.441	1.497	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2[NH2+]CCn2cccn2)cc1	ZINC001090867071	947365441	/nfs/dbraw/zinc/36/54/41/947365441.db2.gz	ZBYMPGKYWSHZCH-ZYSHUDEJSA-N	1	0	367.453	1.636	20	30		FDEDRO
C=CCC1(C(=O)N(C)C2CC(Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CCC1	ZINC001573326077	947366958	/nfs/dbraw/zinc/36/69/58/947366958.db2.gz	KBJTVSLSGGXHIZ-UHFFFAOYSA-N	1	0	367.457	1.831	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2[NH2+]Cc2cnns2)cc1	ZINC001090866498	947404918	/nfs/dbraw/zinc/40/49/18/947404918.db2.gz	FHYCUXTUTUNFMO-AFAVFJNCSA-N	1	0	371.466	1.791	20	30		FDEDRO
C=CCCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1	ZINC001573334919	947466480	/nfs/dbraw/zinc/46/64/80/947466480.db2.gz	JLYRSWKZGSEOIQ-GASCZTMLSA-N	1	0	370.457	1.968	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCN(C)C(=O)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090874786	947482801	/nfs/dbraw/zinc/48/28/01/947482801.db2.gz	RBHXYRBCAWKCRB-YTQUADARSA-N	1	0	369.465	1.081	20	30		FDEDRO
C=CCOCC(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H]1CC	ZINC001573343315	947555330	/nfs/dbraw/zinc/55/53/30/947555330.db2.gz	MVXIEFMLYHZJEU-LSDHHAIUSA-N	1	0	371.445	1.246	20	30		FDEDRO
C=CCOCC[NH2+][C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1CC	ZINC001573348071	947579618	/nfs/dbraw/zinc/57/96/18/947579618.db2.gz	MDLCYQGUSZLWIT-ZFWWWQNUSA-N	1	0	373.461	1.228	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1ccccc1-c1nn[nH]n1	ZINC001573350263	947593498	/nfs/dbraw/zinc/59/34/98/947593498.db2.gz	BFAJUIQCDKKHJP-SJORKVTESA-N	1	0	370.457	1.348	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cncc(OC)n2)C[C@H]1c1ccc(OC)cc1	ZINC001090881888	947609562	/nfs/dbraw/zinc/60/95/62/947609562.db2.gz	SMNKSRLNOZIIDB-FUHWJXTLSA-N	1	0	366.421	1.325	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CCCCC3CCOCC3)C[C@H]2O)c1	ZINC001196046264	971427834	/nfs/dbraw/zinc/42/78/34/971427834.db2.gz	REYJHMGAQVDNKE-WOJBJXKFSA-N	1	0	371.481	1.435	20	30		FDEDRO
CC[NH+](CC)CC(=O)N[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@H]1OC	ZINC001090895312	947792294	/nfs/dbraw/zinc/79/22/94/947792294.db2.gz	FFPVZMRVDBPSNS-GHMZBOCLSA-N	1	0	371.894	1.330	20	30		FDEDRO
C[N@H+](C[C@@H](O)c1cccc(C#N)c1)C[C@](C)(O)CNC(=O)OC(C)(C)C	ZINC000844371409	948000968	/nfs/dbraw/zinc/00/09/68/948000968.db2.gz	OGFPEGJUPOJNOF-VQIMIIECSA-N	1	0	363.458	1.799	20	30		FDEDRO
CO[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C	ZINC001090945873	948062376	/nfs/dbraw/zinc/06/23/76/948062376.db2.gz	XCIIGDWLOFKDHV-HZPDHXFCSA-N	1	0	359.474	1.251	20	30		FDEDRO
CO[C@@H]1CN(c2cc(C)ncc2C#N)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C	ZINC001090948787	948083238	/nfs/dbraw/zinc/08/32/38/948083238.db2.gz	DKRKANLDXNSWKO-ZHALLVOQSA-N	1	0	371.485	1.456	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1	ZINC000844542851	948159912	/nfs/dbraw/zinc/15/99/12/948159912.db2.gz	HCNFROOESWCNPW-UHFFFAOYSA-N	1	0	362.405	1.075	20	30		FDEDRO
C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1Nc1nc(Cl)c(C#N)s1	ZINC001090989054	948248249	/nfs/dbraw/zinc/24/82/49/948248249.db2.gz	PARDLOBVYUFZDT-GHMZBOCLSA-N	1	0	371.894	1.505	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](Nc2cc(C#N)nc(CC)n2)C1	ZINC001090992960	948278698	/nfs/dbraw/zinc/27/86/98/948278698.db2.gz	XKIVFLVXQKWLFU-GDBMZVCRSA-N	1	0	358.490	1.901	20	30		FDEDRO
N#Cc1ccc(C[NH+]2CCC3(CCN(C(=O)c4cnccn4)C3)CC2)nc1	ZINC001144158332	948301831	/nfs/dbraw/zinc/30/18/31/948301831.db2.gz	BPSXARQYEIBURH-UHFFFAOYSA-N	1	0	362.437	1.872	20	30		FDEDRO
CC[C@H](C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1O)[NH+](CC)CC	ZINC001196114772	971485364	/nfs/dbraw/zinc/48/53/64/971485364.db2.gz	BNWWOINDAJLRRT-BRWVUGGUSA-N	1	0	364.515	1.401	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N1CCO[C@@H]2CN(c3ccc(C#N)c(C)n3)C[C@@H]21	ZINC001091051293	948664817	/nfs/dbraw/zinc/66/48/17/948664817.db2.gz	XLEMNFPDAAJALC-DLBZAZTESA-N	1	0	357.458	1.020	20	30		FDEDRO
CC[C@@H](C(=O)N1CCO[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]21)[NH+](CC)CC	ZINC001091058192	948765052	/nfs/dbraw/zinc/76/50/52/948765052.db2.gz	GOAKNLMEENWMNM-GBESFXJTSA-N	1	0	371.485	1.490	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(C(N)=O)nc1)C2	ZINC001110715938	971549246	/nfs/dbraw/zinc/54/92/46/971549246.db2.gz	APTINMOQEAIGIH-NZPGVSJUSA-N	1	0	356.470	1.799	20	30		FDEDRO
C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@@H+](Cc1ccc(OC)cn1)C2	ZINC001144428280	949162090	/nfs/dbraw/zinc/16/20/90/949162090.db2.gz	ZWSPAAKKUIAGEB-FQEVSTJZSA-N	1	0	358.486	1.773	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)CCc2ccccc2)C1	ZINC001196222189	971560806	/nfs/dbraw/zinc/56/08/06/971560806.db2.gz	IVCTUGOCKGKXNX-DFQSSKMNSA-N	1	0	359.514	1.677	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O)[NH+]1CCCCC1	ZINC001091117759	949354244	/nfs/dbraw/zinc/35/42/44/949354244.db2.gz	RZIRRWARDTZBLH-NEWSRXKRSA-N	1	0	371.485	1.129	20	30		FDEDRO
C[C@H]([NH3+])CCNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000857107302	971583743	/nfs/dbraw/zinc/58/37/43/971583743.db2.gz	QSJCHDQGRQQATO-AWEZNQCLSA-N	1	0	367.457	1.517	20	30		FDEDRO
CCCCCC[N@H+](C)CC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O	ZINC001091129991	949582473	/nfs/dbraw/zinc/58/24/73/949582473.db2.gz	KHLBXKYDWFEURQ-AEFFLSMTSA-N	1	0	359.474	1.131	20	30		FDEDRO
C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O	ZINC001091160113	949907769	/nfs/dbraw/zinc/90/77/69/949907769.db2.gz	SQLLZHOIRZCRAM-SJORKVTESA-N	1	0	371.485	1.272	20	30		FDEDRO
C#Cc1ccc(C[N@H+]2C[C@@H]3COC[C@@H](C(=O)Nc4cnccn4)[C@@H]3C2)cc1	ZINC001144569452	949947896	/nfs/dbraw/zinc/94/78/96/949947896.db2.gz	RMHULLLQPXHEEJ-GUDVDZBRSA-N	1	0	362.433	1.791	20	30		FDEDRO
C#Cc1ccc(C[N@H+]2CCC[C@]3(CO[C@H](C(=O)N4CCOCC4)C3)C2)cc1	ZINC001144573936	949957179	/nfs/dbraw/zinc/95/71/79/949957179.db2.gz	UPWIJOMKQNRRGA-RBBKRZOGSA-N	1	0	368.477	1.898	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1	ZINC000845891695	950106868	/nfs/dbraw/zinc/10/68/68/950106868.db2.gz	XBNSRPYZGGUGQK-KBPBESRZSA-N	1	0	365.455	1.496	20	30		FDEDRO
C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001574982814	950183263	/nfs/dbraw/zinc/18/32/63/950183263.db2.gz	HKTRVRFEOWIWNP-SNVBAGLBSA-N	1	0	368.376	1.114	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(C(=O)OCC)cc1F	ZINC000845938937	950223488	/nfs/dbraw/zinc/22/34/88/950223488.db2.gz	LMHXTDURJVYQRT-UHFFFAOYSA-N	1	0	356.419	1.236	20	30		FDEDRO
CCN(CN1C(=O)NC2(CC[NH+](Cc3ccccc3)CC2)C1=O)[C@H](C)C#N	ZINC000857235800	971663774	/nfs/dbraw/zinc/66/37/74/971663774.db2.gz	AEYXCIUDEYXBKT-MRXNPFEDSA-N	1	0	369.469	1.764	20	30		FDEDRO
C=CCCN(OCc1ccccc1)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1	ZINC000857244356	971670868	/nfs/dbraw/zinc/67/08/68/971670868.db2.gz	HHGIVDTYIFRGFZ-YLJYHZDGSA-N	1	0	357.454	1.863	20	30		FDEDRO
CC(=O)N1CCOC[C@]2(CN([C@H](C)Cc3cccc(C#N)c3)CCO2)C1	ZINC001171213209	950545230	/nfs/dbraw/zinc/54/52/30/950545230.db2.gz	WYPLSUMQEWJQIQ-UZLBHIALSA-N	1	0	357.454	1.439	20	30		FDEDRO
C[C@H](CNC(=O)c1cc(C#N)c[nH]1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1	ZINC001574997363	950545707	/nfs/dbraw/zinc/54/57/07/950545707.db2.gz	UEDVKGTYJDLCCB-SNVBAGLBSA-N	1	0	368.376	1.114	20	30		FDEDRO
N#Cc1ncccc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1	ZINC000846234178	950758165	/nfs/dbraw/zinc/75/81/65/950758165.db2.gz	BJDXHJAYHVPUOA-NWANDNLSSA-N	1	0	350.444	1.003	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)[C@H](C)C1	ZINC001570994681	950967947	/nfs/dbraw/zinc/96/79/47/950967947.db2.gz	CDNRHAQIBJVZBN-QJPTWQEYSA-N	1	0	359.459	1.272	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)c1	ZINC001571004029	951134303	/nfs/dbraw/zinc/13/43/03/951134303.db2.gz	BXZVPEDGWORMNE-OAHLLOKOSA-N	1	0	362.397	1.071	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC([NH2+]Cc2csnc2OC)C1	ZINC001091243480	951141311	/nfs/dbraw/zinc/14/13/11/951141311.db2.gz	LBQKSHDEKDSFPU-AXVKAWJUSA-N	1	0	351.472	1.727	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)cc1	ZINC001571004468	951146438	/nfs/dbraw/zinc/14/64/38/951146438.db2.gz	KWEOJTRAHMHNCS-HNNXBMFYSA-N	1	0	362.397	1.071	20	30		FDEDRO
C[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(C#N)n1)CC(C)(C)C	ZINC001091295755	951337826	/nfs/dbraw/zinc/33/78/26/951337826.db2.gz	HPCAVVFTBSJOKO-HUUCEWRRSA-N	1	0	358.490	1.587	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nnc3ccccc3c2O)C1	ZINC001196500857	971747825	/nfs/dbraw/zinc/74/78/25/971747825.db2.gz	WPJWPWOIYHYNBE-APHBMKBZSA-N	1	0	356.426	1.465	20	30		FDEDRO
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1	ZINC000846730532	951501306	/nfs/dbraw/zinc/50/13/06/951501306.db2.gz	IEGFZKWLXASMOH-SQNIBIBYSA-N	1	0	372.469	1.039	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@]34C[C@H]3COC4)c2)C1	ZINC001091399855	951569981	/nfs/dbraw/zinc/56/99/81/951569981.db2.gz	DJJHYZYWBCRKHJ-CVAIRZPRSA-N	1	0	355.438	1.211	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)c2)C1	ZINC001091400696	951572714	/nfs/dbraw/zinc/57/27/14/951572714.db2.gz	NFLUSEYIHUZPQB-KZNAEPCWSA-N	1	0	367.453	1.864	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)c2)C1	ZINC001091403797	951596379	/nfs/dbraw/zinc/59/63/79/951596379.db2.gz	AOKMEHDPVXPDFT-NADOGSGZSA-N	1	0	369.465	1.760	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@H]3CCO[C@H]3C(=C)C)c2)C1	ZINC001091405791	951602499	/nfs/dbraw/zinc/60/24/99/951602499.db2.gz	JZLZFQHZNBKYNZ-UFYCRDLUSA-N	1	0	369.465	1.765	20	30		FDEDRO
N=C(Nc1cccc2c1NC(=O)C21CC[NH2+]CC1)c1ccc(C(N)=O)cc1	ZINC001171258939	951728860	/nfs/dbraw/zinc/72/88/60/951728860.db2.gz	QVCDHWYPASKZIV-UHFFFAOYSA-N	1	0	363.421	1.396	20	30		FDEDRO
CCOC(=O)N1CCN(C(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCC2)CC1	ZINC000847055041	951808105	/nfs/dbraw/zinc/80/81/05/951808105.db2.gz	WVOVCJNWOFOSAJ-UHFFFAOYSA-N	1	0	370.453	1.828	20	30		FDEDRO
C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)c1ccc(C#N)[nH]1	ZINC001575103671	951877320	/nfs/dbraw/zinc/87/73/20/951877320.db2.gz	VEOJNSQNMYBZMT-SNVBAGLBSA-N	1	0	370.442	1.378	20	30		FDEDRO
Cn1cc(CC(=O)N2C[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@@]3(C)C2)cn1	ZINC001091528414	951946294	/nfs/dbraw/zinc/94/62/94/951946294.db2.gz	FYJBBHZKGFQNRB-CTNGQTDRSA-N	1	0	363.465	1.815	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)C[C@@]2(C)C1	ZINC001091543753	951982657	/nfs/dbraw/zinc/98/26/57/951982657.db2.gz	OKYHFBHHOMIIKJ-NBQZKYEYSA-N	1	0	355.438	1.898	20	30		FDEDRO
CNC(=O)c1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@]3(C)C2)cc1	ZINC001091544650	951983850	/nfs/dbraw/zinc/98/38/50/951983850.db2.gz	DTMWMJHBRSBYKC-ZTQAJYAQSA-N	1	0	354.454	1.486	20	30		FDEDRO
CN1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@@]3(C)C2)C1	ZINC001091565656	952091752	/nfs/dbraw/zinc/09/17/52/952091752.db2.gz	UXNHWJYJYMYQIR-DYXWJJEUSA-N	1	0	368.481	1.169	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)c1ccsc1)C2	ZINC001110119083	952100009	/nfs/dbraw/zinc/10/00/09/952100009.db2.gz	WDLTVPJRHAGGQE-PMPSAXMXSA-N	1	0	363.483	1.402	20	30		FDEDRO
Cc1nc(N[C@@H]2CC[C@H](CNC(=O)COCC[NH+](C)C)C2)ccc1C#N	ZINC001091593736	952187272	/nfs/dbraw/zinc/18/72/72/952187272.db2.gz	OPOVBXYDGZSGPW-DOTOQJQBSA-N	1	0	359.474	1.537	20	30		FDEDRO
Cc1ncc(C[N@@H+]2C[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@]3(C)C2)cn1	ZINC001091604342	952225255	/nfs/dbraw/zinc/22/52/55/952225255.db2.gz	DRAITUSTZNWJFC-BEFAXECRSA-N	1	0	350.426	1.579	20	30		FDEDRO
Cn1ncc(C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@@]3(C)C2)c1N	ZINC001091617003	952322123	/nfs/dbraw/zinc/32/21/23/952322123.db2.gz	GPZMUTFXGXTILQ-XIKOKIGWSA-N	1	0	370.482	1.530	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCO[C@H]3C=C)C2)C1	ZINC001147583476	952444367	/nfs/dbraw/zinc/44/43/67/952444367.db2.gz	QWYZXONXTAFWCB-BBWFWOEESA-N	1	0	361.486	1.193	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cc[nH]c4CC)C[C@]3(C)C2)C1=O	ZINC001091644808	952469347	/nfs/dbraw/zinc/46/93/47/952469347.db2.gz	DWHSDCRQKBIMHO-FPDPHYFHSA-N	1	0	370.497	1.758	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ccncc4C)C[C@]3(C)C2)C1=O	ZINC001091649952	952480091	/nfs/dbraw/zinc/48/00/91/952480091.db2.gz	UAIBNONNJYUNEG-BLIXFSHQSA-N	1	0	368.481	1.571	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2Nc2ncccc2C#N)cn1	ZINC001091655327	952516863	/nfs/dbraw/zinc/51/68/63/952516863.db2.gz	BXHQZYOLBKTLEJ-DLBZAZTESA-N	1	0	367.457	1.045	20	30		FDEDRO
NC(=O)c1ccc(C(N)=NC(=O)c2ccc(CC[NH+]3CCCC3)nc2)cc1	ZINC001147975920	952581578	/nfs/dbraw/zinc/58/15/78/952581578.db2.gz	MCZRJASLBXEPCM-UHFFFAOYSA-N	1	0	365.437	1.365	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)Cc3nn(C)c4ccccc34)C[C@]2(C)C1	ZINC001091672496	952588763	/nfs/dbraw/zinc/58/87/63/952588763.db2.gz	OIQIMDAGYJEJND-IERDGZPVSA-N	1	0	350.466	1.919	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3c3ccncc3)C[C@]2(C)C1	ZINC001091679887	952624407	/nfs/dbraw/zinc/62/44/07/952624407.db2.gz	POKKEIBWBJBFIC-BNDYYXHWSA-N	1	0	353.466	1.963	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cc([C@H]4CCCN4C)[nH]n3)C[C@]2(C)C1	ZINC001091690061	952662023	/nfs/dbraw/zinc/66/20/23/952662023.db2.gz	GWFNVBSLSOLDFY-ZTNFWEORSA-N	1	0	355.486	1.594	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CN(Cc3nnnn3C)C[C@@]2(C)C1	ZINC001091701755	952669083	/nfs/dbraw/zinc/66/90/83/952669083.db2.gz	GMFVTQPPHFDHJT-WBMJQRKESA-N	1	0	352.870	1.269	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3[nH]nc4c3cccc4OC)C[C@]2(C)C1	ZINC001091706815	952689987	/nfs/dbraw/zinc/68/99/87/952689987.db2.gz	RKQWJKAJPVPUIF-VLIAUNLRSA-N	1	0	352.438	1.989	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@]2(C)C1	ZINC001091738700	952767982	/nfs/dbraw/zinc/76/79/82/952767982.db2.gz	CWXIYDNLWKUJTC-QINHECLXSA-N	1	0	356.470	1.347	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H](C)c3nncn3C)C2)cn1	ZINC001086857417	952875238	/nfs/dbraw/zinc/87/52/38/952875238.db2.gz	BUDJUMWQJXPRDE-JKIFEVAISA-N	1	0	352.442	1.441	20	30		FDEDRO
Cn1cccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)c1=O	ZINC001086856132	952901905	/nfs/dbraw/zinc/90/19/05/952901905.db2.gz	KJNGWGAKAMRVPQ-MAUKXSAKSA-N	1	0	364.449	1.945	20	30		FDEDRO
Cn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)n(C)c1=O	ZINC001086883985	952936687	/nfs/dbraw/zinc/93/66/87/952936687.db2.gz	GFVFSRNDLPLNGF-WMLDXEAASA-N	1	0	367.453	1.284	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C[C@@H]1C)CC[NH+](CC(=O)N(C)C)CC2	ZINC001086943897	952946163	/nfs/dbraw/zinc/94/61/63/952946163.db2.gz	IHBCNFUFUFERPV-BBWFWOEESA-N	1	0	363.502	1.369	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)C3CC3)C[C@H]2[NH2+]Cc2ccc(F)c(C#N)c2)cn1	ZINC001086961598	952959264	/nfs/dbraw/zinc/95/92/64/952959264.db2.gz	MHZSZHSMMUZWEJ-PKOBYXMFSA-N	1	0	367.428	1.925	20	30		FDEDRO
Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1c1cnn(C)c1	ZINC001086970723	952972336	/nfs/dbraw/zinc/97/23/36/952972336.db2.gz	FWZGKMZCMDYEEX-MZPVMMEZSA-N	1	0	356.430	1.269	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001086971142	952973327	/nfs/dbraw/zinc/97/33/27/952973327.db2.gz	ZLGWDEGEJRXQQM-ZOCIIQOWSA-N	1	0	362.437	1.536	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnc3n2[C@@H](C)CCC3)C[C@H]1c1cnn(C)c1	ZINC001086979691	952993496	/nfs/dbraw/zinc/99/34/96/952993496.db2.gz	NCWNBSKIBJCCLI-BHYGNILZSA-N	1	0	368.485	1.898	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1c1cnn(C)c1	ZINC001086982453	952995354	/nfs/dbraw/zinc/99/53/54/952995354.db2.gz	KLVQRAAKOCPLRK-BBWFWOEESA-N	1	0	365.909	1.397	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccn(CC(F)F)n2)C[C@H]1c1cnn(C)c1	ZINC001086983333	952996808	/nfs/dbraw/zinc/99/68/08/952996808.db2.gz	JCXILBMLJCZSOM-DZGCQCFKSA-N	1	0	364.400	1.266	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccsc2)C[C@H]1c1cnn(C)c1	ZINC001086984563	952999177	/nfs/dbraw/zinc/99/91/77/952999177.db2.gz	SGMOXOFNXCQZPW-XWTMOSNGSA-N	1	0	354.479	1.803	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc3cnccc3o2)C[C@H]1c1cnn(C)c1	ZINC001086986449	953006299	/nfs/dbraw/zinc/00/62/99/953006299.db2.gz	PXTDWZRSBYTZID-JKSUJKDBSA-N	1	0	351.410	1.945	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COc3ccccc3C2)C[C@H]1c1cnn(C)c1	ZINC001086986746	953007298	/nfs/dbraw/zinc/00/72/98/953007298.db2.gz	HJKZDDIRRANRIL-YTQUADARSA-N	1	0	364.449	1.189	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cc(C)ccc2OC)C[C@H]1c1cnn(C)c1	ZINC001086987089	953008822	/nfs/dbraw/zinc/00/88/22/953008822.db2.gz	YWZYLWNCXOUQCJ-RBUKOAKNSA-N	1	0	366.465	1.497	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc3oc(=O)[nH]c32)C[C@H]1c1cnn(C)c1	ZINC001086987423	953009596	/nfs/dbraw/zinc/00/95/96/953009596.db2.gz	RMZMVMORTUTCGW-LSDHHAIUSA-N	1	0	365.393	1.098	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(OCC)no2)C[C@H]1c1cnn(C)c1	ZINC001086987791	953011175	/nfs/dbraw/zinc/01/11/75/953011175.db2.gz	NMJBBKBRZUFENA-LSDHHAIUSA-N	1	0	359.430	1.581	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cncn2C)C1	ZINC001086991132	953019842	/nfs/dbraw/zinc/01/98/42/953019842.db2.gz	MJIQRRHTYXHPAU-DLBZAZTESA-N	1	0	356.474	1.450	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C2(C(F)F)CCCC2)C[C@H]1c1cnn(C)c1	ZINC001086993151	953026226	/nfs/dbraw/zinc/02/62/26/953026226.db2.gz	JCTPNSDAYZJJBO-LSDHHAIUSA-N	1	0	350.413	1.763	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3ccc(F)cc32)C[C@H]1c1cnn(C)c1	ZINC001086993812	953028188	/nfs/dbraw/zinc/02/81/88/953028188.db2.gz	TYLHCBKXSPWLOR-CEXWTWQISA-N	1	0	352.413	1.416	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)(C)C)nn2C)C[C@H]1c1cnn(C)c1	ZINC001086994217	953028679	/nfs/dbraw/zinc/02/86/79/953028679.db2.gz	OFDPHEOCYZEDMZ-JKSUJKDBSA-N	1	0	370.501	1.835	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(C3CCC3)cnn2C)C[C@H]1c1cnn(C)c1	ZINC001086980198	953029155	/nfs/dbraw/zinc/02/91/55/953029155.db2.gz	PZZZYGFJNBBORL-ZWKOTPCHSA-N	1	0	366.469	1.252	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c(F)cccc2OC)C[C@H]1c1cnn(C)c1	ZINC001086980551	953030539	/nfs/dbraw/zinc/03/05/39/953030539.db2.gz	IHNQYPLYPXTALE-GOEBONIOSA-N	1	0	358.417	1.952	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C)Cn2ccc(C)n2)C[C@H]1c1cnn(C)c1	ZINC001086980986	953031400	/nfs/dbraw/zinc/03/14/00/953031400.db2.gz	ICKMRGRSMUUCDD-AYOQOUSVSA-N	1	0	370.501	1.721	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)nn2C)C[C@H]1c1cnn(C)c1	ZINC001086981451	953033041	/nfs/dbraw/zinc/03/30/41/953033041.db2.gz	JRYCCUPSSVWERQ-DOTOQJQBSA-N	1	0	354.458	1.415	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CC/C=C\CCC)C[C@H]1O	ZINC001196691306	971891001	/nfs/dbraw/zinc/89/10/01/971891001.db2.gz	CAXJUJDQXOIRHU-MCHFGCRHSA-N	1	0	351.491	1.365	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2noc3c2CCCC3)C[C@H]1c1cnn(C)c1	ZINC001086998703	953043249	/nfs/dbraw/zinc/04/32/49/953043249.db2.gz	ADQBIUKAUIOATQ-JKSUJKDBSA-N	1	0	355.442	1.671	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccn(C(CC)CC)n2)C[C@H]1c1cnn(C)c1	ZINC001087000769	953051917	/nfs/dbraw/zinc/05/19/17/953051917.db2.gz	MYHWQNKXFCASJJ-PKOBYXMFSA-N	1	0	368.485	1.809	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCO[C@H]2C(=C)C)C[C@H]1c1cnn(C)c1	ZINC001087001506	953055647	/nfs/dbraw/zinc/05/56/47/953055647.db2.gz	YNXZVSMVJOIEHV-OKYOBFRVSA-N	1	0	358.486	1.861	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]2NCC#N)cn1	ZINC001087002183	953056800	/nfs/dbraw/zinc/05/68/00/953056800.db2.gz	LYLYGXUNGQTIAB-RBUKOAKNSA-N	1	0	366.469	1.203	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2c(C)n[nH]c2C)C[C@H]1c1cnn(C)c1	ZINC001087002352	953057667	/nfs/dbraw/zinc/05/76/67/953057667.db2.gz	VEPAXMFOHNNGBK-OAUYIBNBSA-N	1	0	356.474	1.634	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccc(OC)c2F)C[C@H]1c1cnn(C)c1	ZINC001087003111	953058861	/nfs/dbraw/zinc/05/88/61/953058861.db2.gz	FSSYOJVDODQKGW-JKSUJKDBSA-N	1	0	358.417	1.952	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nc(C3CC3)oc2C)C[C@H]1c1cnn(C)c1	ZINC001087004211	953061697	/nfs/dbraw/zinc/06/16/97/953061697.db2.gz	LPZDZAMETRUYMF-JKSUJKDBSA-N	1	0	353.426	1.425	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OCC)cc2)C[C@H]1c1cnn(C)c1	ZINC001087008090	953094717	/nfs/dbraw/zinc/09/47/17/953094717.db2.gz	MXAGJXQXLQVDOI-RBUKOAKNSA-N	1	0	352.438	1.650	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cn2ccc3ccccc32)C[C@H]1c1cnn(C)c1	ZINC001087010166	953100835	/nfs/dbraw/zinc/10/08/35/953100835.db2.gz	ORCZIRPSPSXPKW-RBUKOAKNSA-N	1	0	361.449	1.592	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2ccccc2)C[C@H]1c1cnn(C)c1	ZINC001087010472	953101332	/nfs/dbraw/zinc/10/13/32/953101332.db2.gz	CBBSVCDVGFYZPQ-FFZOFVMBSA-N	1	0	350.466	1.816	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3[nH]c(=O)oc3c2)C[C@H]1c1cnn(C)c1	ZINC001087011278	953103282	/nfs/dbraw/zinc/10/32/82/953103282.db2.gz	NFSGEYRJJVZGAV-GOEBONIOSA-N	1	0	365.393	1.098	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087033299	953134762	/nfs/dbraw/zinc/13/47/62/953134762.db2.gz	NUPUDOZLVJOENX-IPMKNSEASA-N	1	0	357.454	1.548	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1ccc(COC)cc1	ZINC001087035532	953145299	/nfs/dbraw/zinc/14/52/99/953145299.db2.gz	DDLBJHFOROOROT-KFKAGJAMSA-N	1	0	359.470	1.946	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1sc(C)nc1C	ZINC001087035659	953145706	/nfs/dbraw/zinc/14/57/06/953145706.db2.gz	IXWJKFFKEBONDJ-KCPJHIHWSA-N	1	0	350.488	1.873	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1nnc(C)n1C1CC1	ZINC001087035816	953146336	/nfs/dbraw/zinc/14/63/36/953146336.db2.gz	NPZAUPUCEYWUPB-JGGQBBKZSA-N	1	0	360.462	1.034	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1ccc2nonc2c1	ZINC001087053422	953185835	/nfs/dbraw/zinc/18/58/35/953185835.db2.gz	OABALROLCFLPQG-VQIMIIECSA-N	1	0	368.437	1.589	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cccnc2)[C@H](OCC)C1	ZINC001087060245	953203330	/nfs/dbraw/zinc/20/33/30/953203330.db2.gz	WIKAPKWZDNQPEQ-HSALFYBXSA-N	1	0	370.497	1.132	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cnco2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087070644	953223027	/nfs/dbraw/zinc/22/30/27/953223027.db2.gz	AJLIDFZQOWSUNY-SJLPKXTDSA-N	1	0	354.410	1.813	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H]2CCN(C(C)C)C2=O)[C@H](OCC)C1	ZINC001087071749	953226587	/nfs/dbraw/zinc/22/65/87/953226587.db2.gz	BOGRSJWPFHCRAN-BRWVUGGUSA-N	1	0	365.518	1.661	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087076652	953233335	/nfs/dbraw/zinc/23/33/35/953233335.db2.gz	MBJPGYAPEXXBFR-RTBURBONSA-N	1	0	368.437	1.742	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3nccn3C)[C@H](OCC)C2)c1	ZINC001087082257	953240570	/nfs/dbraw/zinc/24/05/70/953240570.db2.gz	CVKFCUAJXQAZSL-QZTJIDSGSA-N	1	0	367.453	1.063	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3ocnc3C)[C@H](OCC)C2)c1	ZINC001087082430	953241056	/nfs/dbraw/zinc/24/10/56/953241056.db2.gz	LMWYHXCPQYLMKL-IEBWSBKVSA-N	1	0	368.437	1.626	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]CC3CCOCC3)[C@H](OCC)C2)c1	ZINC001087082773	953241626	/nfs/dbraw/zinc/24/16/26/953241626.db2.gz	YRCFCHQMFWHSRF-WOJBJXKFSA-N	1	0	371.481	1.556	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087094003	953260272	/nfs/dbraw/zinc/26/02/72/953260272.db2.gz	NEODRNHUQNVGCP-QZTJIDSGSA-N	1	0	367.453	1.477	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]CC2CC2)[C@H](OCC)C1	ZINC001087097272	953284435	/nfs/dbraw/zinc/28/44/35/953284435.db2.gz	GEFQRQWYLYYBCY-SJLPKXTDSA-N	1	0	357.454	1.570	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cnn(C)c3)[C@H](OCC)C2)nc1	ZINC001087097508	953284814	/nfs/dbraw/zinc/28/48/14/953284814.db2.gz	UESOSNFKVCUFIS-IEBWSBKVSA-N	1	0	367.453	1.063	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]2CC)n1	ZINC001091794214	953318584	/nfs/dbraw/zinc/31/85/84/953318584.db2.gz	FUVMCWNMAVVYKL-XHSDSOJGSA-N	1	0	358.490	1.724	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3sccc3-n3cnnn3)C[C@]2(C)C1	ZINC001091815819	953465925	/nfs/dbraw/zinc/46/59/25/953465925.db2.gz	RFIHHSWJORHNDC-DYVFJYSZSA-N	1	0	358.471	1.694	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(c3cc(C)ncc3C#N)C[C@H]2C1	ZINC001091860609	953586507	/nfs/dbraw/zinc/58/65/07/953586507.db2.gz	ZJVKPGLXRPKWQD-AEFFLSMTSA-N	1	0	355.486	1.888	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@H]3CCNC3=O)C[C@H]1C[N@H+](Cc1cc(C#N)ccc1F)C2	ZINC001091910747	953697062	/nfs/dbraw/zinc/69/70/62/953697062.db2.gz	GOWOLMAJBXUIFR-QINHECLXSA-N	1	0	370.428	1.114	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001091935732	953782456	/nfs/dbraw/zinc/78/24/56/953782456.db2.gz	ADAGZCOQTTZFPB-KOVVAJLHSA-N	1	0	350.462	1.711	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C[C@H]1C[N@H+](Cc1ccc(C#N)s1)C2	ZINC001091937509	953786426	/nfs/dbraw/zinc/78/64/26/953786426.db2.gz	ISKCYYSHTIRQCF-ZXBXUNHQSA-N	1	0	357.479	1.792	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCN(C(C)(C)C)C3=O)C[C@]2(C)C1	ZINC001091943247	953801576	/nfs/dbraw/zinc/80/15/76/953801576.db2.gz	YXBQFOCBEDOIBL-WWMYMODYSA-N	1	0	359.514	1.827	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]c3cc(C)ccc23)C1	ZINC001196854143	971961622	/nfs/dbraw/zinc/96/16/22/971961622.db2.gz	PALCRBQOXIBFID-RTBURBONSA-N	1	0	357.454	1.383	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]2C)n1	ZINC001091994247	953908165	/nfs/dbraw/zinc/90/81/65/953908165.db2.gz	HVAUBOILNBGCNL-ZBFHGGJFSA-N	1	0	358.490	1.726	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)C(C)(C)C(F)F)C[C@]3(C)C2)C1=O	ZINC001091994665	953909990	/nfs/dbraw/zinc/90/99/90/953909990.db2.gz	OVSFXXSKFTUHJZ-TYILLQQXSA-N	1	0	369.456	1.845	20	30		FDEDRO
CC[NH+](CC)[C@H](C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)[C@@H]1C)C(C)C	ZINC001091998392	953920676	/nfs/dbraw/zinc/92/06/76/953920676.db2.gz	RAMKMHFPBNOEOG-VKJFTORMSA-N	1	0	358.490	1.798	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CCN1c1ncccc1C#N	ZINC001092004967	953941546	/nfs/dbraw/zinc/94/15/46/953941546.db2.gz	MGCSLCZABYRLFW-PBHICJAKSA-N	1	0	357.458	1.147	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)CN3c4ccccc4CC3=O)C[C@]2(C)C1	ZINC001092047643	954030911	/nfs/dbraw/zinc/03/09/11/954030911.db2.gz	JHFIVKQGZVMJCR-UTKZUKDTSA-N	1	0	351.450	1.379	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)C2CCCCC2)C1	ZINC001196897888	971979911	/nfs/dbraw/zinc/97/99/11/971979911.db2.gz	FUEZVLGUDFUBPR-KBAYOESNSA-N	1	0	365.518	1.589	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cnc(C)nc3)C[C@@]2(C)C1	ZINC001092029964	954128972	/nfs/dbraw/zinc/12/89/72/954128972.db2.gz	LWTYLVPMOKOKRZ-XSYGEPLQSA-N	1	0	356.470	1.656	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@H](NC(=O)C[N@H+](C)C3CCC3)[C@H]2C)n1	ZINC001092063413	954183841	/nfs/dbraw/zinc/18/38/41/954183841.db2.gz	MRIOSTUTRKRCRU-CJNGLKHVSA-N	1	0	356.474	1.478	20	30		FDEDRO
C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H](C)C3)C[C@]2(C)C1	ZINC001092075259	954217215	/nfs/dbraw/zinc/21/72/15/954217215.db2.gz	LWYSUMBJPYQWFI-SIIHOXLZSA-N	1	0	353.894	1.778	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3C[N@H+](CC[C@@H]4CCOC4)C[C@@]3(C)C2)nn1	ZINC001092079673	954227114	/nfs/dbraw/zinc/22/71/14/954227114.db2.gz	SSICHMOSOKZZSE-MDZRGWNJSA-N	1	0	359.474	1.285	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@H]3C[N@@H+](Cc4conc4C)C[C@@]3(C)C2)nn1	ZINC001092085094	954234655	/nfs/dbraw/zinc/23/46/55/954234655.db2.gz	BPBLIAOCLAXMDA-APWZRJJASA-N	1	0	370.457	1.745	20	30		FDEDRO
C[C@]12CN(C(=O)c3cnon3)C[C@H]1C[N@H+](Cc1ccc(F)c(C#N)c1)C2	ZINC001092116118	954351717	/nfs/dbraw/zinc/35/17/17/954351717.db2.gz	QLDCDCZASOPRCY-KDOFPFPSSA-N	1	0	355.373	1.674	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3cccc(OC)c23)C1	ZINC001196954248	972008309	/nfs/dbraw/zinc/00/83/09/972008309.db2.gz	VAZJRUZDRCWJLE-NUEKZKHPSA-N	1	0	358.442	1.473	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cccc(-n4cncn4)n3)C[C@]2(C)C1	ZINC001092150434	954399976	/nfs/dbraw/zinc/39/99/76/954399976.db2.gz	SOEZZJIDVAFUAE-BEFAXECRSA-N	1	0	350.426	1.080	20	30		FDEDRO
C[C@]12CN(C(=O)Cc3ncc[nH]3)C[C@H]1C[N@H+](Cc1ccc(F)c(C#N)c1)C2	ZINC001092138328	954445653	/nfs/dbraw/zinc/44/56/53/954445653.db2.gz	WBAUJEKVOLOURE-UZLBHIALSA-N	1	0	367.428	1.943	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]1C[N@H+](Cc1ccc(C#N)s1)C2	ZINC001092215120	954543570	/nfs/dbraw/zinc/54/35/70/954543570.db2.gz	KJKDDLCLXSIUGI-MRAWALMUSA-N	1	0	358.467	1.179	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001092215977	954545693	/nfs/dbraw/zinc/54/56/93/954545693.db2.gz	XXJNURDJYCFJDO-UWVAXJGDSA-N	1	0	352.438	1.117	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@H]2C[N@@H+](C[C@@H](CC)OC)C[C@@]2(C)C1	ZINC001092209974	954615491	/nfs/dbraw/zinc/61/54/91/954615491.db2.gz	ASFVLVBAPYGMLZ-LZJOCLMNSA-N	1	0	371.481	1.913	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@H+](CCN4CCCC4=O)C[C@@]3(C)C2)cn1	ZINC001092211427	954617857	/nfs/dbraw/zinc/61/78/57/954617857.db2.gz	FYQGTOQIPQMSBG-UTKZUKDTSA-N	1	0	366.465	1.079	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+](Cc4cc(C)ncn4)C[C@@]3(C)C2)nc1	ZINC001092211840	954619572	/nfs/dbraw/zinc/61/95/72/954619572.db2.gz	PSGAEBJCFKHNPD-UTKZUKDTSA-N	1	0	361.449	1.755	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+](CCc4ccnn4C)C[C@@]3(C)C2)nc1	ZINC001092211973	954620559	/nfs/dbraw/zinc/62/05/59/954620559.db2.gz	WWVSAZJOUZSUFS-UTKZUKDTSA-N	1	0	363.465	1.433	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cccc(-n4cnnn4)c3)C[C@]2(C)C1	ZINC001092267298	954636056	/nfs/dbraw/zinc/63/60/56/954636056.db2.gz	SCXMJJFAONMACA-APWZRJJASA-N	1	0	350.426	1.080	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCCN3C(=O)C(C)C)C[C@]2(C)C1	ZINC001092298198	954737211	/nfs/dbraw/zinc/73/72/11/954737211.db2.gz	RSHHIJOSLHKKNP-OPYAIIAOSA-N	1	0	359.514	1.827	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CN(c3ccc(C#N)nn3)C[C@@]2(C)C1	ZINC001092301138	954750935	/nfs/dbraw/zinc/75/09/35/954750935.db2.gz	TXIRNFNLIBARQZ-KUHUBIRLSA-N	1	0	356.474	1.363	20	30		FDEDRO
C[N@H+](CC(=O)N1C[C@H]2CN(c3cncc(C#N)n3)C[C@@]2(C)C1)CC(C)(C)C	ZINC001092306760	954773275	/nfs/dbraw/zinc/77/32/75/954773275.db2.gz	DJFWVKQIZKZYDI-QRWLVFNGSA-N	1	0	370.501	1.611	20	30		FDEDRO
C[C@]12CN(C(=O)CCC[NH+]3CCCC3)C[C@H]1CN(c1ccc(C#N)nn1)C2	ZINC001092291858	954890606	/nfs/dbraw/zinc/89/06/06/954890606.db2.gz	MJELELSBRHARTL-UZLBHIALSA-N	1	0	368.485	1.509	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H](CNC(=O)CC[N@@H+](C)CC)[C@H](C)C2)n1	ZINC001092396274	955000433	/nfs/dbraw/zinc/00/04/33/955000433.db2.gz	WZWJVFAHASVVEW-HUUCEWRRSA-N	1	0	358.490	1.441	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CNC(=O)c2cnn(C)c2)[C@H](C)C1	ZINC001092454065	955160684	/nfs/dbraw/zinc/16/06/84/955160684.db2.gz	BIINGQWQFSMVLW-RHSMWYFYSA-N	1	0	367.453	1.798	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H](CNC(=O)c3ccn[nH]3)[C@H](C)C2)cc1C#N	ZINC001092476722	955223047	/nfs/dbraw/zinc/22/30/47/955223047.db2.gz	ZHCWPUKGQPYGIG-CZUORRHYSA-N	1	0	353.426	1.788	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C	ZINC001092547838	955387224	/nfs/dbraw/zinc/38/72/24/955387224.db2.gz	LSWQSVNHIOZFDG-NUJGCVRESA-N	1	0	370.501	1.800	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CCNC(=O)[C@@H](C1CC1)[NH+](C)C	ZINC001092550326	955397214	/nfs/dbraw/zinc/39/72/14/955397214.db2.gz	UIDYNSPWVBROPF-FRFSOERESA-N	1	0	356.474	1.267	20	30		FDEDRO
C[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC001092551058	955401096	/nfs/dbraw/zinc/40/10/96/955401096.db2.gz	HPFVORNSKOJSJK-LALPHHSUSA-N	1	0	352.385	1.608	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CCNC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001092551455	955404397	/nfs/dbraw/zinc/40/43/97/955404397.db2.gz	FXEHWBZYQUFGTC-QGPMSJSTSA-N	1	0	368.485	1.269	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC001092553262	955414259	/nfs/dbraw/zinc/41/42/59/955414259.db2.gz	KVSQJABQACWBEP-RDTXWAMCSA-N	1	0	352.438	1.877	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)NCC[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C	ZINC001092557930	955442095	/nfs/dbraw/zinc/44/20/95/955442095.db2.gz	GLKXYZSTIFAGIC-HUUCEWRRSA-N	1	0	358.490	1.657	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)c1cnn(C)c1N	ZINC001092559142	955448243	/nfs/dbraw/zinc/44/82/43/955448243.db2.gz	XKEOAWMQVAOCTL-CZUORRHYSA-N	1	0	352.442	1.372	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC001092532238	955497197	/nfs/dbraw/zinc/49/71/97/955497197.db2.gz	RZMFUKUBCPKPBZ-CXAGYDPISA-N	1	0	365.437	1.483	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CCNC(=O)C[N@@H+]1CCC(C)(C)C1	ZINC001092586127	955551580	/nfs/dbraw/zinc/55/15/80/955551580.db2.gz	ZOXAPVOGKVNHFB-HZPDHXFCSA-N	1	0	370.501	1.659	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C	ZINC001092595151	955588254	/nfs/dbraw/zinc/58/82/54/955588254.db2.gz	DAPJNTTWYMSQKE-NUJGCVRESA-N	1	0	370.501	1.801	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3ccncc3C)[C@H](C)C2)C1=O	ZINC001092596101	955594305	/nfs/dbraw/zinc/59/43/05/955594305.db2.gz	HHXHNODTBLECTQ-NUJGCVRESA-N	1	0	356.470	1.475	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2CN(c3ccnc(C#N)n3)C[C@H]2C)CC[N@@H+]1C	ZINC001092598305	955603311	/nfs/dbraw/zinc/60/33/11/955603311.db2.gz	WMDSZNWMTNFTDI-WCXIOVBPSA-N	1	0	370.501	1.657	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)c1cc(=O)n(C)o1	ZINC001092573645	955690223	/nfs/dbraw/zinc/69/02/23/955690223.db2.gz	YMIRTJFHIBIROX-CZUORRHYSA-N	1	0	354.410	1.348	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC001092573510	955690272	/nfs/dbraw/zinc/69/02/72/955690272.db2.gz	UKVCZZGERZGNTR-LTIDMASMSA-N	1	0	370.501	1.657	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CCC([NH2+]CC(=O)N2CCC2)CC1	ZINC000964024039	1013139185	/nfs/dbraw/zinc/13/91/85/1013139185.db2.gz	IQVVRLHAOMXXKO-AKSNENBUSA-N	1	0	363.502	1.559	20	30		FDEDRO
CC[C@@H](C(=O)NC[C@]12CCC[C@H]1N(c1nc(C)cc(C#N)n1)CC2)[NH+](C)C	ZINC001092701666	956095527	/nfs/dbraw/zinc/09/55/27/956095527.db2.gz	HRUZZQOGOPLDAK-SQGPQFPESA-N	1	0	370.501	1.862	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@]12CCC[C@H]1N(c1nccnc1C#N)CC2	ZINC001092712707	956149766	/nfs/dbraw/zinc/14/97/66/956149766.db2.gz	FDEXOWYXFNNOMJ-WRWLIDTKSA-N	1	0	368.485	1.698	20	30		FDEDRO
C=CCOc1ccccc1C(=O)NC[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1C	ZINC001092740076	956234809	/nfs/dbraw/zinc/23/48/09/956234809.db2.gz	ICWVOKOQXRMRDT-HZPDHXFCSA-N	1	0	369.469	1.878	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)c3ncccc3CC)[C@H](C)C2)C1=O	ZINC001092753544	956279455	/nfs/dbraw/zinc/27/94/55/956279455.db2.gz	PESDNBVNKJOYLN-NXHRZFHOSA-N	1	0	370.497	1.729	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)c1cncn1C	ZINC001092788485	956323368	/nfs/dbraw/zinc/32/33/68/956323368.db2.gz	UCOGVLRZQBWSLV-NVXWUHKLSA-N	1	0	367.453	1.820	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(C(N)=O)o1	ZINC001092806789	956372525	/nfs/dbraw/zinc/37/25/25/956372525.db2.gz	DHRRIDDWSHORBU-NVXWUHKLSA-N	1	0	365.433	1.728	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2sccc2-n2cnnn2)[C@H](C)C1	ZINC001092769726	956392765	/nfs/dbraw/zinc/39/27/65/956392765.db2.gz	FWRFAEDYQXTJEJ-ZYHUDNBSSA-N	1	0	366.878	1.774	20	30		FDEDRO
C[NH+](C)CCCCNS(=O)(=O)c1ccc(Br)c(C#N)c1	ZINC001197277578	972183458	/nfs/dbraw/zinc/18/34/58/972183458.db2.gz	KWJVVNUCOJEEGT-UHFFFAOYSA-N	1	0	360.277	1.941	20	30		FDEDRO
COc1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)nn1C	ZINC001092810713	956444692	/nfs/dbraw/zinc/44/46/92/956444692.db2.gz	BXGAKDSXJRAROB-RHSMWYFYSA-N	1	0	367.453	1.798	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)c1cn(C)c(=O)cn1	ZINC001092841182	956466463	/nfs/dbraw/zinc/46/64/63/956466463.db2.gz	DFONKIMSHSBLIZ-RHSMWYFYSA-N	1	0	365.437	1.150	20	30		FDEDRO
COc1ccccc1C[C@](C)(CO)[NH2+]Cc1cc(=O)n2ncc(C#N)c2[nH]1	ZINC001197305056	972191248	/nfs/dbraw/zinc/19/12/48/972191248.db2.gz	VFWQEZPKYJCXHZ-LJQANCHMSA-N	1	0	367.409	1.398	20	30		FDEDRO
CCN1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(Br)c(C#N)c1	ZINC001197310770	972191534	/nfs/dbraw/zinc/19/15/34/972191534.db2.gz	JMWKGQRYTBEDAS-RYUDHWBXSA-N	1	0	370.272	1.788	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)[C@@H]1CCNC1=O	ZINC001092883175	956656110	/nfs/dbraw/zinc/65/61/10/956656110.db2.gz	CUVVJJYEGVZYPO-DAXOMENPSA-N	1	0	358.417	1.018	20	30		FDEDRO
CCc1nc(C#N)cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C3)n1	ZINC001092862710	956726221	/nfs/dbraw/zinc/72/62/21/956726221.db2.gz	SSWDKJKZONMSEZ-PASDCYSWSA-N	1	0	370.501	1.723	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)c3conc3CC)[C@H](C)C2)C1=O	ZINC001092942330	956864978	/nfs/dbraw/zinc/86/49/78/956864978.db2.gz	IJJVGHSQJTWWPU-CKEIUWERSA-N	1	0	360.458	1.322	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]2C)c1	ZINC001092952838	956887996	/nfs/dbraw/zinc/88/79/96/956887996.db2.gz	SHRUHIMKBXDJJD-SZVBFZGTSA-N	1	0	368.481	1.277	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)c3occc3CC)[C@H](C)C2)C1=O	ZINC001092938767	956962222	/nfs/dbraw/zinc/96/22/22/956962222.db2.gz	BDASMUFPOPXOSD-DJIMGWMZSA-N	1	0	359.470	1.927	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3[nH]c(C)nc3C)[C@H](C)C2)C1=O	ZINC001092975364	956965826	/nfs/dbraw/zinc/96/58/26/956965826.db2.gz	UJRNWEZOFNGERA-WQVCFCJDSA-N	1	0	359.474	1.111	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2c3n(c(=O)n2C)CCCC3)[C@H](C)C1	ZINC001092968145	957010673	/nfs/dbraw/zinc/01/06/73/957010673.db2.gz	NORILAFZOSQMLN-TZMCWYRMSA-N	1	0	366.893	1.573	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1	ZINC001092971989	957029631	/nfs/dbraw/zinc/02/96/31/957029631.db2.gz	LEZKESIIQIPQSY-DQEVTTJGSA-N	1	0	368.481	1.644	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1	ZINC001092972083	957029720	/nfs/dbraw/zinc/02/97/20/957029720.db2.gz	QAJJIVSPYLRKSW-APIJFGDWSA-N	1	0	374.510	1.705	20	30		FDEDRO
N#Cc1cncc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCC[NH+]2CCCC2)C3)n1	ZINC001092989679	957059820	/nfs/dbraw/zinc/05/98/20/957059820.db2.gz	MXMIGBRZKKDQPO-KURKYZTESA-N	1	0	368.485	1.840	20	30		FDEDRO
Cc1ccc(C#N)c(N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2([NH+](C)C)CCC2)C3)n1	ZINC001093023048	957159929	/nfs/dbraw/zinc/15/99/29/957159929.db2.gz	MHUOTEGKFKYMTL-ZACQAIPSSA-N	1	0	353.470	1.972	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccnn3C)C[C@H]2C)nn1	ZINC001093035394	957253504	/nfs/dbraw/zinc/25/35/04/957253504.db2.gz	BJRARUZPGXNQLY-HUUCEWRRSA-N	1	0	357.462	1.086	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CNC(=O)c2ncccn2)[C@H](C)C1	ZINC001093072419	957328584	/nfs/dbraw/zinc/32/85/84/957328584.db2.gz	ZSZNZQZLBDGQCS-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)c2cccc(OC)c2)C1	ZINC001197486781	972262593	/nfs/dbraw/zinc/26/25/93/972262593.db2.gz	RPMVLAQIZNHNPG-QZTJIDSGSA-N	1	0	362.470	1.337	20	30		FDEDRO
C[N@H+](CC(=O)N[C@]12CCC[C@H]1CN(c1ccc(C#N)nc1)C2)C1CCC1	ZINC001093106595	957476235	/nfs/dbraw/zinc/47/62/35/957476235.db2.gz	SZGLLYOVRPGVNB-YWZLYKJASA-N	1	0	353.470	1.913	20	30		FDEDRO
CCn1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]2C)nn1	ZINC001093089981	957523258	/nfs/dbraw/zinc/52/32/58/957523258.db2.gz	ONAWZBDJWUDEOM-CZUORRHYSA-N	1	0	370.432	1.807	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)c2cccc(-n3cncn3)n2)[C@H](C)C1	ZINC001093091025	957532271	/nfs/dbraw/zinc/53/22/71/957532271.db2.gz	IRBQRAPPMDJMBG-HZPDHXFCSA-N	1	0	354.458	1.926	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(c1nccnc1C#N)C2	ZINC001093091903	957538736	/nfs/dbraw/zinc/53/87/36/957538736.db2.gz	SAVAHVCFCJQGCE-KXBFYZLASA-N	1	0	356.474	1.555	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2cnc(C#N)cn2)C1	ZINC001093114164	957552228	/nfs/dbraw/zinc/55/22/28/957552228.db2.gz	NWGLESUJKAWKML-CHWSQXEVSA-N	1	0	370.379	1.491	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NC[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1C	ZINC001093118320	957568461	/nfs/dbraw/zinc/56/84/61/957568461.db2.gz	INBQMLNNAQRAOU-IAGOWNOFSA-N	1	0	369.469	1.841	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(CNc2ccnc(C#N)n2)C1	ZINC001093124913	957590553	/nfs/dbraw/zinc/59/05/53/957590553.db2.gz	SDKHMCBHFQHDHP-KXBFYZLASA-N	1	0	356.474	1.153	20	30		FDEDRO
Cc1nonc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1C	ZINC001093252763	957931763	/nfs/dbraw/zinc/93/17/63/957931763.db2.gz	PKHLXXIVWPSALV-IAQYHMDHSA-N	1	0	357.389	1.887	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3cc(C)on3)C[C@H]2C)C1=O	ZINC001093270868	957937839	/nfs/dbraw/zinc/93/78/39/957937839.db2.gz	MZOXTNOYQAMBDC-FVQBIDKESA-N	1	0	360.458	1.458	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3[nH]ccc3C)C[C@H]2C)C1=O	ZINC001093273763	957942910	/nfs/dbraw/zinc/94/29/10/957942910.db2.gz	GCDJTUUYNJHUPH-BRWVUGGUSA-N	1	0	358.486	1.798	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H]3CCN(CC)C3=O)C2)c1	ZINC001093284291	957964604	/nfs/dbraw/zinc/96/46/04/957964604.db2.gz	FVBFOJDQTMQXOB-SUMDDJOVSA-N	1	0	368.481	1.372	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3n[nH]cc3F)C[C@H]2C)C1=O	ZINC001093286217	957970487	/nfs/dbraw/zinc/97/04/87/957970487.db2.gz	YKBKUWRKIJTPBL-NFAWXSAZSA-N	1	0	363.437	1.024	20	30		FDEDRO
C=CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1ccnn1C)CCO2	ZINC001093403078	958021775	/nfs/dbraw/zinc/02/17/75/958021775.db2.gz	BHQIZFLCNNMQBB-MUZJZNNISA-N	1	0	358.486	1.839	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc(C)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093427957	958045505	/nfs/dbraw/zinc/04/55/05/958045505.db2.gz	OACOZUJNUWKPGT-PHXBYCTMSA-N	1	0	358.486	1.941	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCn3cncn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093431862	958055777	/nfs/dbraw/zinc/05/57/77/958055777.db2.gz	XWDUJGMTAXOARO-PSBWJHGTSA-N	1	0	361.490	1.210	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cc(C)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093435001	958062670	/nfs/dbraw/zinc/06/26/70/958062670.db2.gz	QUERVHNLGURZAI-LFGUQSLTSA-N	1	0	360.502	1.734	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)nn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093435719	958065973	/nfs/dbraw/zinc/06/59/73/958065973.db2.gz	VLDIMLICRVDGOW-PHXBYCTMSA-N	1	0	360.502	1.884	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc(=O)[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093438948	958072400	/nfs/dbraw/zinc/07/24/00/958072400.db2.gz	HXFRICWSTLLVMK-CIWUYKSXSA-N	1	0	359.470	1.943	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nnn(C)c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093439844	958074601	/nfs/dbraw/zinc/07/46/01/958074601.db2.gz	QKGNNEVBTPIBCT-FXRXJOCMSA-N	1	0	361.490	1.279	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncccc3O)[C@@H]2C(C)C)C[C@H]1O	ZINC001093441477	958077002	/nfs/dbraw/zinc/07/70/02/958077002.db2.gz	ACUMVCCABDBPAZ-QSFMABPGSA-N	1	0	359.470	1.943	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3OCCCO3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093443458	958085561	/nfs/dbraw/zinc/08/55/61/958085561.db2.gz	QTFLBHHOAVTDOK-RGCFKVTRSA-N	1	0	352.475	1.292	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3OCCCO3)[C@H]2C(C)C)C[C@H]1O	ZINC001093443456	958085593	/nfs/dbraw/zinc/08/55/93/958085593.db2.gz	QTFLBHHOAVTDOK-LTDCPUDJSA-N	1	0	352.475	1.292	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc4[nH]ccc4c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093448773	958112083	/nfs/dbraw/zinc/11/20/83/958112083.db2.gz	CHKBSHPUGCSHRP-DCXXXQMHSA-N	1	0	366.465	1.727	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C4CC4)cnn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093449786	958117421	/nfs/dbraw/zinc/11/74/21/958117421.db2.gz	QKYKCNCKMWFYBK-VGUOSERISA-N	1	0	370.497	1.510	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cnccc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093451456	958132515	/nfs/dbraw/zinc/13/25/15/958132515.db2.gz	ULYXJSBIUSIMJW-RMVXJAJNSA-N	1	0	355.482	1.532	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc4n3CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093451741	958135513	/nfs/dbraw/zinc/13/55/13/958135513.db2.gz	XJHRDZIHPXYTIJ-QSFMABPGSA-N	1	0	356.470	1.042	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3n[nH]c4c3CCCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093459827	958185125	/nfs/dbraw/zinc/18/51/25/958185125.db2.gz	WFXHCHYOOSSQAK-ZJSJBZJDSA-N	1	0	370.497	1.501	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CC=C)C3)[C@H]2C(C)C)c1	ZINC001093464083	958197703	/nfs/dbraw/zinc/19/77/03/958197703.db2.gz	BYEGBHVNVUEPGM-ANTGDGSKSA-N	1	0	353.466	1.829	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccncc3Cl)[C@H]2C(C)C)C[C@H]1O	ZINC001093464503	958199421	/nfs/dbraw/zinc/19/94/21/958199421.db2.gz	BXYQHNOXDOWNBX-VXIBKDFQSA-N	1	0	361.873	1.948	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ocnc3C3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093464656	958200485	/nfs/dbraw/zinc/20/04/85/958200485.db2.gz	GARQRAUJPVPBQO-OHRYMORCSA-N	1	0	357.454	1.765	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3cn[nH]n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093464607	958200592	/nfs/dbraw/zinc/20/05/92/958200592.db2.gz	CPVRZPSCWUPZIR-ZAWLATJESA-N	1	0	361.490	1.280	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(CC)nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093464754	958200723	/nfs/dbraw/zinc/20/07/23/958200723.db2.gz	DAGYXRCYPNSAGW-FTEYMNFISA-N	1	0	358.486	1.424	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CCC)C3)[C@@H]2C(C)C)nn1	ZINC001093466587	958209672	/nfs/dbraw/zinc/20/96/72/958209672.db2.gz	OABPWMQWKBRUMY-VYCZESIESA-N	1	0	361.490	1.454	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(COC)on3)[C@H]2C(C)C)C[C@H]1O	ZINC001093467207	958213752	/nfs/dbraw/zinc/21/37/52/958213752.db2.gz	RQABAYKQLSJFOD-VXNCWWDNSA-N	1	0	363.458	1.587	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc(OC)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093470979	958231629	/nfs/dbraw/zinc/23/16/29/958231629.db2.gz	AYJJVAHVXZZOOR-ANTGDGSKSA-N	1	0	356.466	1.908	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C)nc3Cl)[C@@H]2C(C)C)C[C@H]1O	ZINC001093471356	958232591	/nfs/dbraw/zinc/23/25/91/958232591.db2.gz	DKDFWBXMPGJHIY-ATNYBXOESA-N	1	0	366.893	1.839	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C)nc3Cl)[C@H]2C(C)C)C[C@H]1O	ZINC001093471357	958233273	/nfs/dbraw/zinc/23/32/73/958233273.db2.gz	DKDFWBXMPGJHIY-BSXFFOKHSA-N	1	0	366.893	1.839	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)c3cnc[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093471757	958235283	/nfs/dbraw/zinc/23/52/83/958235283.db2.gz	GNYDYHQZBPCOCW-MXHNKVEKSA-N	1	0	360.502	1.839	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc4c([nH]3)CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093472217	958237822	/nfs/dbraw/zinc/23/78/22/958237822.db2.gz	JRHYCIRFGIHQRF-ANTGDGSKSA-N	1	0	355.482	1.716	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccc(OC)cc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093475080	958250758	/nfs/dbraw/zinc/25/07/58/958250758.db2.gz	WIRPAZDSZCJCBR-UGESXGAOSA-N	1	0	370.493	1.837	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3coc(CCC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093475683	958253128	/nfs/dbraw/zinc/25/31/28/958253128.db2.gz	ZXWVIRFSBLLYEM-BIJSTVTOSA-N	1	0	359.470	1.840	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)cc(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452838	958258926	/nfs/dbraw/zinc/25/89/26/958258926.db2.gz	OURFAHUOEMHKIZ-ANTGDGSKSA-N	1	0	355.482	1.911	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncc4ccccn43)[C@H]2C(C)C)C[C@H]1O	ZINC001093452658	958259399	/nfs/dbraw/zinc/25/93/99/958259399.db2.gz	MBYIMUOEDYNGBH-DCXXXQMHSA-N	1	0	366.465	1.547	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncccc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093453036	958261743	/nfs/dbraw/zinc/26/17/43/958261743.db2.gz	SJACETRJNNUZKX-VGUOSERISA-N	1	0	355.482	1.857	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(Cl)cn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093454649	958269675	/nfs/dbraw/zinc/26/96/75/958269675.db2.gz	BJUDBZVSBNMISF-VYCZESIESA-N	1	0	363.889	1.891	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3coc(C(N)=O)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093456116	958277054	/nfs/dbraw/zinc/27/70/54/958277054.db2.gz	VMSHFRDOHGDJFY-ZLHSVIROSA-N	1	0	361.442	1.144	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3ccnc(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093456513	958277276	/nfs/dbraw/zinc/27/72/76/958277276.db2.gz	FCKAZIWGMARALC-QCFAMHMHSA-N	1	0	370.497	1.317	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nc(C)c(C)nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093456542	958277344	/nfs/dbraw/zinc/27/73/44/958277344.db2.gz	FODPISVZVWSCTQ-ZJSJBZJDSA-N	1	0	370.497	1.615	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCn3cc(C)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093478645	958295218	/nfs/dbraw/zinc/29/52/18/958295218.db2.gz	GJPJHXUWWDHNBB-HNBVOPMISA-N	1	0	358.486	1.181	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(=O)[nH]c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093480267	958301734	/nfs/dbraw/zinc/30/17/34/958301734.db2.gz	YCBQDLSMJGZQMW-CIWUYKSXSA-N	1	0	359.470	1.943	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCn3cc(C)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093480888	958304769	/nfs/dbraw/zinc/30/47/69/958304769.db2.gz	PWJQQBJUFKJFFI-IZBJGVDFSA-N	1	0	360.502	1.734	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C)nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093480976	958306178	/nfs/dbraw/zinc/30/61/78/958306178.db2.gz	QYCKQXREJRLUOS-BNDYYXHWSA-N	1	0	355.482	1.911	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN(C)c3ccccc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093482035	958308694	/nfs/dbraw/zinc/30/86/94/958308694.db2.gz	ZMNUETVLYVKLNN-WKDRNLAYSA-N	1	0	369.509	1.722	20	30		FDEDRO
C=CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1	ZINC001093487838	958309413	/nfs/dbraw/zinc/30/94/13/958309413.db2.gz	RGBLMCBTQJDMQH-FCGDIQPGSA-N	1	0	369.513	1.839	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093620649	958351943	/nfs/dbraw/zinc/35/19/43/958351943.db2.gz	MWDMVPLJYSUPLJ-VXGBXAGGSA-N	1	0	357.439	1.613	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCOC2CCOCC2)C1	ZINC001197666993	972342806	/nfs/dbraw/zinc/34/28/06/972342806.db2.gz	NWPGVSOXAYLOPK-QZTJIDSGSA-N	1	0	356.507	1.704	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3cc(C)oc3C)C[C@H]2C)C1=O	ZINC001093629876	958388649	/nfs/dbraw/zinc/38/86/49/958388649.db2.gz	PTIFEAUCNTVKJO-QBIMZIAESA-N	1	0	359.470	1.981	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1C	ZINC001093651411	958437405	/nfs/dbraw/zinc/43/74/05/958437405.db2.gz	YKSWHTXUAIRFJF-CXAGYDPISA-N	1	0	353.426	1.788	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093670125	958463617	/nfs/dbraw/zinc/46/36/17/958463617.db2.gz	XZNDNGUAVSIKLB-DNVCBOLYSA-N	1	0	351.454	1.719	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2nc3ccccc3c(=O)n2C)[C@H](C)C1	ZINC001093678943	958531868	/nfs/dbraw/zinc/53/18/68/958531868.db2.gz	OKLJLYZMEWPHFI-RRFJBIMHSA-N	1	0	367.453	1.277	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C3CC(F)(F)C3)C[C@H]2C)C1=O	ZINC001093705417	958539494	/nfs/dbraw/zinc/53/94/94/958539494.db2.gz	NPDMOJHKTIAHIJ-BPLDGKMQSA-N	1	0	355.429	1.503	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3cncc(C)c3)C[C@H]2C)C1=O	ZINC001093690479	958549480	/nfs/dbraw/zinc/54/94/80/958549480.db2.gz	WNRJKZNBYAIOEW-KBAYOESNSA-N	1	0	356.470	1.475	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C)c1nnnn1C1CC1	ZINC001093699708	958565781	/nfs/dbraw/zinc/56/57/81/958565781.db2.gz	IFSOAMNYSRBYNG-YRGRVCCFSA-N	1	0	368.445	1.267	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1cn(CC2CC2)nn1	ZINC001093699842	958566857	/nfs/dbraw/zinc/56/68/57/958566857.db2.gz	LIFVRCRFVBPTNF-CZUORRHYSA-N	1	0	367.457	1.386	20	30		FDEDRO
COc1coc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)cc1=O	ZINC001093699899	958566993	/nfs/dbraw/zinc/56/69/93/958566993.db2.gz	OKBZRRAZLIRYOX-TZMCWYRMSA-N	1	0	370.409	1.346	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1nnc(C2CC2)[nH]1	ZINC001093700093	958568436	/nfs/dbraw/zinc/56/84/36/958568436.db2.gz	XZIKWHNTVPUHSX-BXUZGUMPSA-N	1	0	353.430	1.380	20	30		FDEDRO
C=CCN1CC[C@@H](N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+]2CCCC2)C3)C1=O	ZINC001110148321	958570758	/nfs/dbraw/zinc/57/07/58/958570758.db2.gz	UPHJCPWKDMGFSW-YDZRNGNQSA-N	1	0	374.529	1.371	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1nccn1C(F)F	ZINC001093721890	958596618	/nfs/dbraw/zinc/59/66/18/958596618.db2.gz	JMNIKSZKBGBBAF-VXGBXAGGSA-N	1	0	362.384	1.976	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1nn(C)cc1Cl	ZINC001093722418	958597605	/nfs/dbraw/zinc/59/76/05/958597605.db2.gz	ASLGIGHAXIRYCJ-VXGBXAGGSA-N	1	0	360.849	1.771	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1)n1cncn1	ZINC001093725371	958605992	/nfs/dbraw/zinc/60/59/92/958605992.db2.gz	ITHDGUKUTPKVHH-RVKKMQEKSA-N	1	0	352.442	1.595	20	30		FDEDRO
CC(C)n1ncnc1C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC001093726388	958612300	/nfs/dbraw/zinc/61/23/00/958612300.db2.gz	UUPUFBRJHKFGIW-UKRRQHHQSA-N	1	0	355.446	1.557	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3csnc3C)C[C@H]2C)C1=O	ZINC001093728730	958620693	/nfs/dbraw/zinc/62/06/93/958620693.db2.gz	QMEGVJACHQRPDV-XNRPHZJLSA-N	1	0	362.499	1.536	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cncnc2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001093729759	958626022	/nfs/dbraw/zinc/62/60/22/958626022.db2.gz	MTTDBBNKVYSHRY-CRAIPNDOSA-N	1	0	365.437	1.877	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001093748029	958667774	/nfs/dbraw/zinc/66/77/74/958667774.db2.gz	OQEPRTOVOSDRKB-IUODEOHRSA-N	1	0	356.405	1.324	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001093749295	958670763	/nfs/dbraw/zinc/67/07/63/958670763.db2.gz	SEBBDHVNADYESP-IUODEOHRSA-N	1	0	356.405	1.324	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093827656	958910099	/nfs/dbraw/zinc/91/00/99/958910099.db2.gz	SVUGKGKCBPLVNM-RHSMWYFYSA-N	1	0	365.437	1.645	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3occ4c3CCC4)C[C@H]2C)C1=O	ZINC001093940503	959410310	/nfs/dbraw/zinc/41/03/10/959410310.db2.gz	OVWMAKITEHPYDI-QGPMSJSTSA-N	1	0	371.481	1.853	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001094046384	959615321	/nfs/dbraw/zinc/61/53/21/959615321.db2.gz	VRBMJKKXTBBXTL-MPESAESLSA-N	1	0	358.417	1.003	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+][C@H](C)c3ncccn3)[C@H](C)C2)nn1	ZINC001094095271	959772212	/nfs/dbraw/zinc/77/22/12/959772212.db2.gz	LFUZEDRZMULEQW-RBSFLKMASA-N	1	0	355.446	1.313	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3cnc(C)nc3)[C@H](C)C2)nn1	ZINC001094099979	959784922	/nfs/dbraw/zinc/78/49/22/959784922.db2.gz	VQUPHPODMWUCLO-RHSMWYFYSA-N	1	0	369.473	1.451	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001094106747	959892089	/nfs/dbraw/zinc/89/20/89/959892089.db2.gz	BCNRBDNIIMESPW-OLMNPRSZSA-N	1	0	354.454	1.411	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001094157086	959928213	/nfs/dbraw/zinc/92/82/13/959928213.db2.gz	QLGDPMNIJPOWRU-IUODEOHRSA-N	1	0	356.405	1.242	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(OC)nn3)[C@H](C)C2)nc1	ZINC001094171929	959969267	/nfs/dbraw/zinc/96/92/67/959969267.db2.gz	GIOPIXWRZQKHRR-GDBMZVCRSA-N	1	0	365.437	1.359	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3cc(Cl)no3)C[C@H]2C)C1=O	ZINC001094181575	959992663	/nfs/dbraw/zinc/99/26/63/959992663.db2.gz	VVHRUXBDFMKVPD-JHJVBQTASA-N	1	0	366.849	1.413	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001094206661	960003123	/nfs/dbraw/zinc/00/31/23/960003123.db2.gz	QCQVMEAMFXBBFT-RHSMWYFYSA-N	1	0	365.437	1.150	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001094221521	960050406	/nfs/dbraw/zinc/05/04/06/960050406.db2.gz	OUVHZFWVDGWOJP-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)Cc3ccc(C)nc3)C[C@H]2C)C1=O	ZINC001094223828	960055650	/nfs/dbraw/zinc/05/56/50/960055650.db2.gz	CJAYLTNBSFHEPX-LZQZEXGQSA-N	1	0	370.497	1.404	20	30		FDEDRO
CC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1	ZINC001094247419	960178502	/nfs/dbraw/zinc/17/85/02/960178502.db2.gz	AZXRNDKIRGCAJO-CDHQVMDDSA-N	1	0	368.481	1.753	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCn2cncn2)CC3)c[nH]1	ZINC001094396989	960347121	/nfs/dbraw/zinc/34/71/21/960347121.db2.gz	GYNVRSFAIHNIFY-SJLPKXTDSA-N	1	0	353.430	1.152	20	30		FDEDRO
Cn1nncc1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2	ZINC001094406451	960457740	/nfs/dbraw/zinc/45/77/40/960457740.db2.gz	XPBOXSDRLKSBJM-TZIWHRDSSA-N	1	0	363.465	1.841	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3c3ncccn3)CCC[C@@H]12	ZINC001094438288	960484589	/nfs/dbraw/zinc/48/45/89/960484589.db2.gz	DBYIJLVPWGQCID-SQGPQFPESA-N	1	0	355.486	1.992	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4c(c3)NC(=O)CO4)CCC[C@@H]12	ZINC001094460037	960561910	/nfs/dbraw/zinc/56/19/10/960561910.db2.gz	WORVSKABWYZUNM-OXQOHEQNSA-N	1	0	368.437	1.410	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NC2CC2)CC3)cc1	ZINC001094486849	960575547	/nfs/dbraw/zinc/57/55/47/960575547.db2.gz	KOCLDNLLKQJOEY-DENIHFKCSA-N	1	0	365.477	1.921	20	30		FDEDRO
C#C[C@H]([NH2+][C@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCCO1	ZINC000775793033	972516455	/nfs/dbraw/zinc/51/64/55/972516455.db2.gz	IZXKEOHEGPZASD-MNEFBYGVSA-N	1	0	359.445	1.633	20	30		FDEDRO
NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2	ZINC001094513415	960703712	/nfs/dbraw/zinc/70/37/12/960703712.db2.gz	VDTPJBGIMHHKEH-VQQMMKBISA-N	1	0	365.477	1.520	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3C(=O)C3CC3)CCC[C@@H]12	ZINC001094531481	960741684	/nfs/dbraw/zinc/74/16/84/960741684.db2.gz	RTFXDKQDPVHRCR-WAOWUJCRSA-N	1	0	357.498	1.772	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](C[C@@H](CC)OC)CC3)nn1	ZINC001094531486	960741914	/nfs/dbraw/zinc/74/19/14/960741914.db2.gz	RWXHTMREAWLJTP-SZVBFZGTSA-N	1	0	361.490	1.864	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(-n4ccnc4)nn3)CCC[C@@H]12	ZINC001094535930	960757125	/nfs/dbraw/zinc/75/71/25/960757125.db2.gz	XOOWLAREXGGZQP-VQIMIIECSA-N	1	0	352.442	1.823	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(C(=O)N(C)C)c3)CCC[C@@H]12	ZINC001094563646	960823001	/nfs/dbraw/zinc/82/30/01/960823001.db2.gz	KMGMRLHMJNRGQJ-WIYYLYMNSA-N	1	0	353.466	1.996	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(C(=O)NC)n3)CCC[C@@H]12	ZINC001094572126	960843961	/nfs/dbraw/zinc/84/39/61/960843961.db2.gz	MQHIIQBFBZZBJG-YLJYHZDGSA-N	1	0	354.454	1.439	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnccn1)C2	ZINC001110245126	960904923	/nfs/dbraw/zinc/90/49/23/960904923.db2.gz	DIGBDAGFTVATKL-INMHGKMJSA-N	1	0	357.458	1.236	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cc4c([nH]c3=O)CCOC4)CCC[C@@H]12	ZINC001094557286	960910601	/nfs/dbraw/zinc/91/06/01/960910601.db2.gz	QDPAMIGGFFHYSU-WIYYLYMNSA-N	1	0	369.465	1.858	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc4nnn(C)c43)CCC[C@@H]12	ZINC001094591720	960924874	/nfs/dbraw/zinc/92/48/74/960924874.db2.gz	YNLFUARNEDXOFE-YLJYHZDGSA-N	1	0	351.454	1.966	20	30		FDEDRO
C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C[C@H]1C	ZINC001181772380	961093852	/nfs/dbraw/zinc/09/38/52/961093852.db2.gz	MJFZGRLIVPGULF-DCXXXQMHSA-N	1	0	359.514	1.875	20	30		FDEDRO
COC(=O)C1(Nc2nnccc2C#N)CC[NH+](Cc2ccccc2)CC1	ZINC001171504521	961209302	/nfs/dbraw/zinc/20/93/02/961209302.db2.gz	VRQNYQSKVNZMFB-UHFFFAOYSA-N	1	0	351.410	1.968	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1ccsc1	ZINC001171516081	961212893	/nfs/dbraw/zinc/21/28/93/961212893.db2.gz	QYAJZNKZDMJPRU-HYVNUMGLSA-N	1	0	361.511	1.866	20	30		FDEDRO
C=CCOC[C@H]1CCC[C@@]12C[N@H+](C1C[C@@H]3COC[C@H](C1)N3C)CCO2	ZINC001172139164	961482752	/nfs/dbraw/zinc/48/27/52/961482752.db2.gz	JXRDFTRKGDULQC-DZJYIKFMSA-N	1	0	350.503	1.922	20	30		FDEDRO
N#Cc1ccccc1C(=O)N1CCC([NH2+][C@H]2CCN3C(=O)CC[C@@H]3C2)CC1	ZINC001172153553	961514563	/nfs/dbraw/zinc/51/45/63/961514563.db2.gz	CVUBSRBBXPDLJL-ZWKOTPCHSA-N	1	0	366.465	1.906	20	30		FDEDRO
CNC(=O)CN1C(=O)CC[C@]12CCC[N@@H+]([C@H](C)Cc1ccc(C#N)cc1)C2	ZINC001172304525	961616502	/nfs/dbraw/zinc/61/65/02/961616502.db2.gz	NSPCAVDFKOLUNE-IERDGZPVSA-N	1	0	368.481	1.692	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC(NC(=O)N2CCOCC2)CC1	ZINC001172312995	961618236	/nfs/dbraw/zinc/61/82/36/961618236.db2.gz	NJZGVPTWOKXOAQ-MRXNPFEDSA-N	1	0	356.470	1.995	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)C23CCC(C(=O)OC)(CC2)CC3)c1C#N	ZINC001182253349	961659319	/nfs/dbraw/zinc/65/93/19/961659319.db2.gz	YAQDVZKZGATYRI-UHFFFAOYSA-N	1	0	373.457	1.885	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCCN(C3COC3)C2)C[C@H]1C#N	ZINC001172966508	961854741	/nfs/dbraw/zinc/85/47/41/961854741.db2.gz	AORZEKKBVXEOFP-XHSDSOJGSA-N	1	0	364.490	1.731	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CN(c3ccncn3)C2)C[C@H]1C#N	ZINC001172979015	961861739	/nfs/dbraw/zinc/86/17/39/961861739.db2.gz	VABIUCXONLCZOZ-ZFWWWQNUSA-N	1	0	358.446	1.546	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC3(C[C@H](O)CO3)CC2)C[C@H]1C#N	ZINC001172987131	961869209	/nfs/dbraw/zinc/86/92/09/961869209.db2.gz	AYIJRVFDRFEYLV-JYJNAYRXSA-N	1	0	365.474	1.894	20	30		FDEDRO
C[N@H+](C1CN([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1)[C@H]1CCOC1	ZINC001172989674	961871566	/nfs/dbraw/zinc/87/15/66/961871566.db2.gz	JMXPPMHZOWYUKB-JYJNAYRXSA-N	1	0	364.490	1.683	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1cccnc1)N(C)C)C2	ZINC001110167836	961933716	/nfs/dbraw/zinc/93/37/16/961933716.db2.gz	GHAAOAKFRCZTCT-YDZRNGNQSA-N	1	0	358.486	1.608	20	30		FDEDRO
C#CCOCCOCC[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-]	ZINC001173184146	961954811	/nfs/dbraw/zinc/95/48/11/961954811.db2.gz	OOEJHNFKBMVGNU-ZDUSSCGKSA-N	1	0	354.378	1.930	20	30		FDEDRO
C=CCOC1CCC([N@@H+]2C[C@@H](C(=O)N(C)C)C3(CN(C(C)=O)C3)C2)CC1	ZINC001173323677	962003297	/nfs/dbraw/zinc/00/32/97/962003297.db2.gz	GCDOFIKYYYGOEH-ABHNRTSZSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[C@H](c3ccccc3)O2)C1	ZINC001182639328	962353345	/nfs/dbraw/zinc/35/33/45/962353345.db2.gz	HGRJVEYVNHCROP-KURKYZTESA-N	1	0	357.454	1.399	20	30		FDEDRO
CN(C)S(=O)(=O)N1CC[C@@H]2C[N@@H+](C3CCC(C)(C#N)CC3)C[C@H]2C1	ZINC001173594734	962470581	/nfs/dbraw/zinc/47/05/81/962470581.db2.gz	KTHFWHAUKWFSPV-XNIRIUNOSA-N	1	0	354.520	1.519	20	30		FDEDRO
CCOC(=O)C[C@@H]1CC[C@@H](NC(=[NH2+])c2ccc(S(C)(=O)=O)cc2)C1	ZINC001173632785	962511014	/nfs/dbraw/zinc/51/10/14/962511014.db2.gz	AZWICAPKGPQUCE-TZMCWYRMSA-N	1	0	352.456	1.917	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NCC)C1	ZINC001182846416	962560170	/nfs/dbraw/zinc/56/01/70/962560170.db2.gz	GAZBWXUTYQDVTP-NDUPCHFUSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=CCOCc1nn(C)c2c1C[N@H+]([C@@H]1CCC[C@@H](n3ncnn3)C1)CC2	ZINC001173755790	962631003	/nfs/dbraw/zinc/63/10/03/962631003.db2.gz	WIXFYUSYYMKGLT-HUUCEWRRSA-N	1	0	357.462	1.651	20	30		FDEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)COc1ccc(C#N)cc1)CC2	ZINC001182914233	962658067	/nfs/dbraw/zinc/65/80/67/962658067.db2.gz	VNRJWGONEUNNJD-UHFFFAOYSA-N	1	0	370.453	1.140	20	30		FDEDRO
N#Cc1ccc(N2CC[NH+]([C@@H]3CCC[C@H](n4ncnn4)C3)CC2)c(F)c1	ZINC001173770504	962667174	/nfs/dbraw/zinc/66/71/74/962667174.db2.gz	QAAMIHOIGNNMKC-CVEARBPZSA-N	1	0	355.421	1.990	20	30		FDEDRO
C#CCC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1	ZINC001183607638	963139055	/nfs/dbraw/zinc/13/90/55/963139055.db2.gz	ULFSWFWZOAYVRQ-WDSOQIARSA-N	1	0	360.454	1.776	20	30		FDEDRO
NC(=O)c1ccc(C(=[NH2+])NC([O-])=C2CC[N@H+](Cc3ccccc3)C2)cc1	ZINC001183575783	963148797	/nfs/dbraw/zinc/14/87/97/963148797.db2.gz	LCHZOYPOJNSILQ-QGZVFWFLSA-N	1	0	350.422	1.540	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1nnnn1C(C)C	ZINC001175358745	963163499	/nfs/dbraw/zinc/16/34/99/963163499.db2.gz	OFGHOMQYCYIXMZ-OAGGEKHMSA-N	1	0	364.494	1.610	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=O)N1CCCCC1	ZINC001175360062	963165977	/nfs/dbraw/zinc/16/59/77/963165977.db2.gz	XIQUSBKYLKLNDT-KURKYZTESA-N	1	0	365.518	1.855	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCNC(=O)NC(C)C	ZINC001175365912	963169631	/nfs/dbraw/zinc/16/96/31/963169631.db2.gz	OKCDPKMWPXSMJK-ZACQAIPSSA-N	1	0	368.522	1.550	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1C1CC1	ZINC001175644998	963246360	/nfs/dbraw/zinc/24/63/60/963246360.db2.gz	RCSONDSNYQPMOW-VNQPRFMTSA-N	1	0	364.490	1.309	20	30		FDEDRO
CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC001175664017	963259541	/nfs/dbraw/zinc/25/95/41/963259541.db2.gz	OITIGHHMIXPSHM-IMFGXOCKSA-N	1	0	370.497	1.889	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)N1CCC1	ZINC001175663471	963259758	/nfs/dbraw/zinc/25/97/58/963259758.db2.gz	DSXZGMGOHSTEFV-BQFCYCMXSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=O)NCC1CC1	ZINC001175664352	963260940	/nfs/dbraw/zinc/26/09/40/963260940.db2.gz	SUKCUCGSGQJPCE-AYBZRNKSSA-N	1	0	365.518	1.758	20	30		FDEDRO
N#Cc1ccccc1CN1CCCC[C@@H]1C(=O)n1cc(C[NH3+])cnc1=N	ZINC001183842995	963308458	/nfs/dbraw/zinc/30/84/58/963308458.db2.gz	XSNJOTOIKDEJMN-QGZVFWFLSA-N	1	0	350.426	1.388	20	30		FDEDRO
N#C[C@H](NC(=O)CCC[NH+](Cc1ccccc1)Cc1ccccc1)C(N)=O	ZINC001183985658	963387366	/nfs/dbraw/zinc/38/73/66/963387366.db2.gz	ROLRXGVCBZKJEC-IBGZPJMESA-N	1	0	364.449	1.963	20	30		FDEDRO
N#CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCC(N)=O)C3)cc1	ZINC001110198495	963600096	/nfs/dbraw/zinc/60/00/96/963600096.db2.gz	AEGDGLWIMOVKCM-NJAFHUGGSA-N	1	0	370.453	1.466	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1	ZINC001184470104	963629966	/nfs/dbraw/zinc/62/99/66/963629966.db2.gz	ZIKROLHMUHQFIJ-KURKYZTESA-N	1	0	351.491	1.023	20	30		FDEDRO
N#Cc1ccc(NC(=O)N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cc1	ZINC001184725227	963703122	/nfs/dbraw/zinc/70/31/22/963703122.db2.gz	HSGGDVUFXYMSBS-SJORKVTESA-N	1	0	364.409	1.718	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2CN(C(=O)CN(CCC#N)C(=O)OC(C)(C)C)C[C@@H]21	ZINC001184855449	963739170	/nfs/dbraw/zinc/73/91/70/963739170.db2.gz	CGORQVGNRYZESF-GJZGRUSLSA-N	1	0	350.463	1.690	20	30		FDEDRO
N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1	ZINC001185148338	963852306	/nfs/dbraw/zinc/85/23/06/963852306.db2.gz	FJGYJCCNVUAWQB-IJLUTSLNSA-N	1	0	366.874	1.335	20	30		FDEDRO
COc1ccnc(N(C(=O)Cc2ccnc(C#N)c2)C2CC[NH2+]CC2)c1	ZINC001177671446	963921963	/nfs/dbraw/zinc/92/19/63/963921963.db2.gz	WNQMAQVXASSTAT-UHFFFAOYSA-N	1	0	351.410	1.685	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C(N)=O)cc1	ZINC001110366474	964030738	/nfs/dbraw/zinc/03/07/38/964030738.db2.gz	SXPZETHEWQZMNY-PIKADFDJSA-N	1	0	371.481	1.988	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCOCC(F)(F)C(F)F)C1	ZINC001185758321	964089248	/nfs/dbraw/zinc/08/92/48/964089248.db2.gz	AFSDCRYJSQJNTC-UPJWGTAASA-N	1	0	368.371	1.685	20	30		FDEDRO
C[NH+](C)C1(C)CN(C(=O)c2cc(C#N)ccc2I)C1	ZINC001185795621	964108316	/nfs/dbraw/zinc/10/83/16/964108316.db2.gz	RALDASOQYHXOIP-UHFFFAOYSA-N	1	0	369.206	1.939	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC[C@H](c1ccc(CC)cc1)[NH+](C)C)[C@H]1CCCO1	ZINC000774950049	964199006	/nfs/dbraw/zinc/19/90/06/964199006.db2.gz	UINLWPNSZHYLOS-IPMKNSEASA-N	1	0	371.481	1.265	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CCCO[C@H]1C=C	ZINC001178506376	964260256	/nfs/dbraw/zinc/26/02/56/964260256.db2.gz	RHSYTFLZKYCMFP-KURKYZTESA-N	1	0	365.518	1.925	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C(C)C)[C@@H]1C	ZINC001178724981	964361236	/nfs/dbraw/zinc/36/12/36/964361236.db2.gz	BXEILJAMPARDSP-YVSFHVDLSA-N	1	0	351.491	1.413	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2C[N@@H+](C)CC2(C)C)ccc1F	ZINC001178710264	964390237	/nfs/dbraw/zinc/39/02/37/964390237.db2.gz	YKGCMILVBXZBFN-OAHLLOKOSA-N	1	0	369.462	1.360	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+][C@H]2CCN(C(=O)[C@]34C[C@H]3COC4)[C@H]2C)c1	ZINC001178740789	964414623	/nfs/dbraw/zinc/41/46/23/964414623.db2.gz	SULXJVSZDKJPHG-MWUWBQKZSA-N	1	0	367.449	1.222	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O	ZINC001178750448	964425698	/nfs/dbraw/zinc/42/56/98/964425698.db2.gz	SMLGRXUNWNSZFP-JYJNAYRXSA-N	1	0	367.490	1.371	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C)O2)CC12CCOCC2	ZINC001186506330	964534410	/nfs/dbraw/zinc/53/44/10/964534410.db2.gz	ZMVIYAXTBPSJSB-KZNAEPCWSA-N	1	0	364.486	1.049	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](C[NH2+]CC#CC)C2(C1)CCOCC2	ZINC001186522534	964547646	/nfs/dbraw/zinc/54/76/46/964547646.db2.gz	UERDZMIVBWTUJL-FHWLQOOXSA-N	1	0	360.498	1.836	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@]12CCC[C@H]1OCC2	ZINC001179004471	964616063	/nfs/dbraw/zinc/61/60/63/964616063.db2.gz	TYZSGUSJTQWGMM-QKLQHJQFSA-N	1	0	363.502	1.350	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C)[C@@H]1CCCO1	ZINC000773792399	964637746	/nfs/dbraw/zinc/63/77/46/964637746.db2.gz	CZKUNCHLVSDAEE-RDJZCZTQSA-N	1	0	373.453	1.171	20	30		FDEDRO
CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21	ZINC001186750320	964707210	/nfs/dbraw/zinc/70/72/10/964707210.db2.gz	YWLBJYAOYBWSPM-UCLAIMLFSA-N	1	0	370.453	1.146	20	30		FDEDRO
C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)C[C@@H]1C[C@H]1Cc1ccccc1	ZINC001179197244	964762784	/nfs/dbraw/zinc/76/27/84/964762784.db2.gz	UOAGTIUONFUGSE-NQYYFHDYSA-N	1	0	368.481	1.474	20	30		FDEDRO
CC(C)C(=O)N1CC[C@H]2CN(CC(=O)NCC#Cc3ccccc3)C[C@H]21	ZINC001186866138	964832107	/nfs/dbraw/zinc/83/21/07/964832107.db2.gz	CIOKMMFKPAWTBW-RBUKOAKNSA-N	1	0	353.466	1.343	20	30		FDEDRO
CC(C)(C)N1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CSCC#N)[C@@H]3C2)C1=O	ZINC001186917195	964876009	/nfs/dbraw/zinc/87/60/09/964876009.db2.gz	IMNSLHKJDRVENM-SOUVJXGZSA-N	1	0	364.515	1.175	20	30		FDEDRO
C[C@H]1[C@@H]([NH2+]CC#Cc2ccccc2)CCN1C(=O)[C@H]1CC[C@@H](C(N)=O)C1	ZINC001179544066	964911601	/nfs/dbraw/zinc/91/16/01/964911601.db2.gz	SNIWKNYDKLGUBQ-NQYYFHDYSA-N	1	0	353.466	1.519	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CCO[C@H]1C=C	ZINC001179637911	964941658	/nfs/dbraw/zinc/94/16/58/964941658.db2.gz	DWDXNXBRCNUULG-BBWFWOEESA-N	1	0	351.491	1.534	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1cccnc1	ZINC001179661405	964941747	/nfs/dbraw/zinc/94/17/47/964941747.db2.gz	HVRYTDVGNSAYCA-NZSAHSFTSA-N	1	0	370.497	1.589	20	30		FDEDRO
C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@@]1(C)C[C@@H]1c1ccccc1	ZINC001179692003	964945408	/nfs/dbraw/zinc/94/54/08/964945408.db2.gz	IQCVZBNSZXQKOS-FORWCCJISA-N	1	0	354.454	1.399	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCCCCC[NH2+]CC(=O)NCC#N	ZINC001179781002	964974323	/nfs/dbraw/zinc/97/43/23/964974323.db2.gz	DKKOONBQYHVXRE-WMZOPIPTSA-N	1	0	364.490	1.264	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCCCCC[NH2+][C@@H]1CCN(C)C1=O	ZINC001179781138	964975812	/nfs/dbraw/zinc/97/58/12/964975812.db2.gz	LIBKLKADAMMNEA-KSZLIROESA-N	1	0	365.518	1.855	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCCCC[NH2+][C@@H]1CCN(C)C1=O	ZINC001179797080	964992213	/nfs/dbraw/zinc/99/22/13/964992213.db2.gz	KTSHVTJZFJDADD-BBWFWOEESA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCCCC[NH2+][C@@H]1CCCN(C)C1=O	ZINC001179797227	964993410	/nfs/dbraw/zinc/99/34/10/964993410.db2.gz	RQLAHFXWHLMBSM-KSZLIROESA-N	1	0	365.518	1.855	20	30		FDEDRO
CC(C)[NH+]1CCN(CC(=O)Nc2cnc(C#N)c(C(F)(F)F)c2)CC1	ZINC001180342655	965233666	/nfs/dbraw/zinc/23/36/66/965233666.db2.gz	FFHSGHHSJBZDDD-UHFFFAOYSA-N	1	0	355.364	1.937	20	30		FDEDRO
C=CCSCC(=O)N1CCCn2cnc(COCC[NH+](C)C)c2C1	ZINC001180559525	965400316	/nfs/dbraw/zinc/40/03/16/965400316.db2.gz	STMCGEUVPPPVBS-UHFFFAOYSA-N	1	0	352.504	1.613	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)SC)[C@@H]2C1	ZINC001187561625	965528588	/nfs/dbraw/zinc/52/85/88/965528588.db2.gz	ONNHSGXVOLJGIQ-IXDOHACOSA-N	1	0	365.543	1.861	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C(=O)NC)cc3)C[C@H]21	ZINC001187756192	965722521	/nfs/dbraw/zinc/72/25/21/965722521.db2.gz	XRFJAHALMYLLGR-WAOWUJCRSA-N	1	0	371.481	1.406	20	30		FDEDRO
Cc1cccc(CNC(=O)CN2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)c1	ZINC001187819549	965760104	/nfs/dbraw/zinc/76/01/04/965760104.db2.gz	FBMGOECZQCIPTP-VQTJNVASSA-N	1	0	365.477	1.557	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](C[C@@H](O)COCc3ccccc3)C[C@H]21	ZINC001187821343	965765040	/nfs/dbraw/zinc/76/50/40/965765040.db2.gz	WAAFBTDXZQMRPA-PWRODBHTSA-N	1	0	368.477	1.510	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@@H+](CCOc3ccc(F)cc3)C[C@H]21	ZINC001187857455	965796805	/nfs/dbraw/zinc/79/68/05/965796805.db2.gz	MVKIXXQIXNWUTB-QFBILLFUSA-N	1	0	360.429	1.777	20	30		FDEDRO
CC(C)N(C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1)C(C)C	ZINC001187832814	965824019	/nfs/dbraw/zinc/82/40/19/965824019.db2.gz	AFKRVWDPDJJFLF-YTQUADARSA-N	1	0	359.514	1.966	20	30		FDEDRO
C=CCCOCCCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]21	ZINC001187904744	965848250	/nfs/dbraw/zinc/84/82/50/965848250.db2.gz	ZZWNYRNFNRCZDG-YESZJQIVSA-N	1	0	351.491	1.417	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(CO)ccc3F)C[C@H]21	ZINC001187873754	965868106	/nfs/dbraw/zinc/86/81/06/965868106.db2.gz	FYAJVYZDJDOBBU-QFBILLFUSA-N	1	0	360.429	1.391	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cccc4c3CCOC4)C[C@H]21	ZINC001187882166	965880382	/nfs/dbraw/zinc/88/03/82/965880382.db2.gz	KCAHUWDFIFVBEY-PLMTUMEDSA-N	1	0	368.477	1.830	20	30		FDEDRO
CCC(=O)N[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001187996136	965950354	/nfs/dbraw/zinc/95/03/54/965950354.db2.gz	BANXIMMQUKCDAO-FHLIZLRMSA-N	1	0	354.454	1.506	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1CC[C@H]2C[N@@H+](CCOCCNC(C)=O)C[C@H]21	ZINC001188034205	965983842	/nfs/dbraw/zinc/98/38/42/965983842.db2.gz	ZVSGJOYJOVTYER-RBUKOAKNSA-N	1	0	363.502	1.440	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCC(C)(F)F)[C@@H]3C2)C1=O	ZINC001188382359	966251780	/nfs/dbraw/zinc/25/17/80/966251780.db2.gz	KWLOHCBFFYSARR-RRFJBIMHSA-N	1	0	355.429	1.741	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C(=O)N(C)C)cc1	ZINC001110402009	966561654	/nfs/dbraw/zinc/56/16/54/966561654.db2.gz	UVZQGLFXFPSUCO-PILAGYSTSA-N	1	0	354.454	1.770	20	30		FDEDRO
CC#CCCCC(=O)N1CC[C@H]2CN(C[C@@H](C)CS(C)(=O)=O)C[C@H]21	ZINC001188866539	966606519	/nfs/dbraw/zinc/60/65/19/966606519.db2.gz	MLXOLTOAXDQOLP-IXDOHACOSA-N	1	0	354.516	1.393	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](CCOCCNC(C)=O)C[C@H]21	ZINC001188884356	966614958	/nfs/dbraw/zinc/61/49/58/966614958.db2.gz	HDBXTRACYUXIKC-BPQIPLTHSA-N	1	0	351.491	1.274	20	30		FDEDRO
CC#CCCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@H]21	ZINC001188855999	966624022	/nfs/dbraw/zinc/62/40/22/966624022.db2.gz	LITSONGGKRXNCU-QXAKKESOSA-N	1	0	357.498	1.866	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnc(C4CC4)[nH]c3=O)[C@@H]2C1	ZINC001189341585	966921535	/nfs/dbraw/zinc/92/15/35/966921535.db2.gz	FQXSEPJDRNAOFN-GOEBONIOSA-N	1	0	358.442	1.409	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)[C@@H]2C1	ZINC001189584089	967086503	/nfs/dbraw/zinc/08/65/03/967086503.db2.gz	NRBIWEFDQLAFFG-XYJFISCASA-N	1	0	359.474	1.427	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-c3ccn(C)c3)n[nH]1)C2	ZINC001110644452	967104182	/nfs/dbraw/zinc/10/41/82/967104182.db2.gz	MWNGGWJPUSUKSM-SUMDDJOVSA-N	1	0	369.469	1.953	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)S(=O)(=O)CC)[C@@H]2C1	ZINC001189627920	967126875	/nfs/dbraw/zinc/12/68/75/967126875.db2.gz	BYTQCOWRBCQXMT-OWCLPIDISA-N	1	0	357.520	1.155	20	30		FDEDRO
C[NH+](C)CCCS(=O)(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1	ZINC001189762775	967244450	/nfs/dbraw/zinc/24/44/50/967244450.db2.gz	KQBLCCLTZNMQCB-UHFFFAOYSA-N	1	0	370.906	1.615	20	30		FDEDRO
N#CCCNC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1	ZINC000852475043	967359192	/nfs/dbraw/zinc/35/91/92/967359192.db2.gz	XTDREWGSWBKYKE-UONOGXRCSA-N	1	0	374.407	1.672	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3ccccc3)[C@@H]2C1	ZINC001189923233	967386716	/nfs/dbraw/zinc/38/67/16/967386716.db2.gz	MSRGRRNZBWKLGQ-NZSAHSFTSA-N	1	0	355.482	1.843	20	30		FDEDRO
COC(=O)C1(C#N)CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1	ZINC000852586086	967448300	/nfs/dbraw/zinc/44/83/00/967448300.db2.gz	CCDZWOVHILWTGF-OAHLLOKOSA-N	1	0	362.474	1.882	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc4c[nH]nc4c3)[C@@H]2C1	ZINC001189978539	967473166	/nfs/dbraw/zinc/47/31/66/967473166.db2.gz	HYGYBKDNGSNEGZ-PKOBYXMFSA-N	1	0	352.438	1.288	20	30		FDEDRO
C#C[C@H](NC(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1)C1CCOCC1	ZINC000852644475	967496279	/nfs/dbraw/zinc/49/62/79/967496279.db2.gz	PKFSFKUMAUPFPS-MSOLQXFVSA-N	1	0	351.491	1.557	20	30		FDEDRO
CCOC(=O)CSc1nnc(NC(=O)C#CC2CC[NH2+]CC2)s1	ZINC000852801008	967616860	/nfs/dbraw/zinc/61/68/60/967616860.db2.gz	DSTLKLQRVMSDCK-UHFFFAOYSA-N	1	0	354.457	1.135	20	30		FDEDRO
C[C@H](NC(=O)C#CC1CC[NH2+]CC1)c1ccc(OCC(=O)NC2CC2)cc1	ZINC000852813118	967626190	/nfs/dbraw/zinc/62/61/90/967626190.db2.gz	BZNGTEPAVHKHIH-HNNXBMFYSA-N	1	0	369.465	1.524	20	30		FDEDRO
CC[C@@H]([NH2+]C)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1	ZINC000852817399	967629998	/nfs/dbraw/zinc/62/99/98/967629998.db2.gz	BTKYBMFVYZURCR-FJAMSSDQSA-N	1	0	352.460	1.436	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])c1	ZINC000852818078	967630702	/nfs/dbraw/zinc/63/07/02/967630702.db2.gz	PLQZCUJZWKYIEN-JXGZPRAZSA-N	1	0	364.471	1.565	20	30		FDEDRO
CS(=O)(=O)CCOc1cccc(NC(=O)C#CC2CC[NH2+]CC2)c1	ZINC000852827232	967638628	/nfs/dbraw/zinc/63/86/28/967638628.db2.gz	DSYKBPNVCXTXHA-UHFFFAOYSA-N	1	0	350.440	1.052	20	30		FDEDRO
Cc1cc(C(=O)NC2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)c(C)o1	ZINC000852832409	967643017	/nfs/dbraw/zinc/64/30/17/967643017.db2.gz	MAJWSEJHTGMUPY-UHFFFAOYSA-N	1	0	357.454	1.620	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccnc(OC)n1	ZINC001110423948	967650430	/nfs/dbraw/zinc/65/04/30/967650430.db2.gz	BXJGXSPVOSJPPH-ZACQAIPSSA-N	1	0	360.458	1.690	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)COc3ccccc3)[C@@H]2C1	ZINC001190202800	967657100	/nfs/dbraw/zinc/65/71/00/967657100.db2.gz	DILDSBDOENQESQ-CMKODMSKSA-N	1	0	356.466	1.884	20	30		FDEDRO
COc1ccccc1[C@H](NC(=O)C#CC1CC[NH2+]CC1)c1nccn1C	ZINC000852857511	967661507	/nfs/dbraw/zinc/66/15/07/967661507.db2.gz	VVKVXPURYYLENW-IBGZPJMESA-N	1	0	352.438	1.637	20	30		FDEDRO
C[C@@H]1CN(c2ccc(CNC(=O)C#CC3CC[NH2+]CC3)cn2)C[C@H](C)O1	ZINC000852857942	967661707	/nfs/dbraw/zinc/66/17/07/967661707.db2.gz	KQFKPJREJMRKFS-IYBDPMFKSA-N	1	0	356.470	1.314	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CC(C)(c3nnc(-c4cccnc4)o3)C2)CCC[NH2+]1	ZINC000852938819	967721078	/nfs/dbraw/zinc/72/10/78/967721078.db2.gz	KZWFKXJTWKAWIZ-IBGZPJMESA-N	1	0	353.426	1.930	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(c3nnc4n3CCCC4)CC2)CC1	ZINC000775374654	967753661	/nfs/dbraw/zinc/75/36/61/967753661.db2.gz	GTYCBWXOLNXXMV-UHFFFAOYSA-N	1	0	355.486	1.666	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3c(C)c(C)sc3=O)[C@@H]2C1	ZINC001190334718	967761890	/nfs/dbraw/zinc/76/18/90/967761890.db2.gz	YTFHVBWADJKEQB-JKSUJKDBSA-N	1	0	365.499	1.262	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(C(N)=O)c3)C[C@H]21	ZINC001190424881	967838260	/nfs/dbraw/zinc/83/82/60/967838260.db2.gz	HKKZYCURLDKNBE-ZWKOTPCHSA-N	1	0	357.454	1.411	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)c3ccc(F)cc3)C[C@H]21	ZINC001190439795	967849780	/nfs/dbraw/zinc/84/97/80/967849780.db2.gz	CEGWOTFOXQKJMQ-UHOSZYNNSA-N	1	0	362.445	1.985	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)c3ccc(F)cc3)C[C@H]21	ZINC001190439788	967849945	/nfs/dbraw/zinc/84/99/45/967849945.db2.gz	CEGWOTFOXQKJMQ-QXAKKESOSA-N	1	0	362.445	1.985	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)N(CC)CC)C[C@H]21	ZINC001190440041	967850239	/nfs/dbraw/zinc/85/02/39/967850239.db2.gz	DYQAVLFPFZFMCM-IXDOHACOSA-N	1	0	351.491	1.369	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C(=O)NC)cc3)C[C@H]21	ZINC001190441366	967854647	/nfs/dbraw/zinc/85/46/47/967854647.db2.gz	SILUWVSVLYNFIT-ZYSHUDEJSA-N	1	0	371.481	1.670	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3csc(COC)n3)[C@@H]2C1	ZINC001190467288	967894654	/nfs/dbraw/zinc/89/46/54/967894654.db2.gz	RPWBXYGXUPESFL-DZGCQCFKSA-N	1	0	351.472	1.638	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCCCCS(N)(=O)=O)[C@@H]2C1	ZINC001190618124	967962628	/nfs/dbraw/zinc/96/26/28/967962628.db2.gz	QBMOPLYLOGPCSZ-IXDOHACOSA-N	1	0	371.547	1.723	20	30		FDEDRO
O=[N+]([O-])c1ccc(N2CCC(=NNC3=[NH+][C@H]4CCCC[C@H]4N3)CC2)cn1	ZINC000853324526	967970536	/nfs/dbraw/zinc/97/05/36/967970536.db2.gz	JRJWTALAHVSSHR-GASCZTMLSA-N	1	0	357.418	1.806	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1	ZINC001190589963	967971430	/nfs/dbraw/zinc/97/14/30/967971430.db2.gz	NHUVPVBSHDPCFV-ROUUACIJSA-N	1	0	363.421	1.464	20	30		FDEDRO
C[C@@H](c1ccc2c(c1)CCC2)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1	ZINC001191162321	968307188	/nfs/dbraw/zinc/30/71/88/968307188.db2.gz	QJTWYLGBSVGXDO-MORSLUCNSA-N	1	0	359.495	1.654	20	30		FDEDRO
CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)c2ccc(C#CC(C)(C)O)cc2)O1	ZINC001191188576	968355708	/nfs/dbraw/zinc/35/57/08/968355708.db2.gz	GVYWPYVSLXHOHB-ZHALLVOQSA-N	1	0	360.454	1.264	20	30		FDEDRO
C[NH+](C)CCn1cc(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cn1	ZINC000867066644	968459132	/nfs/dbraw/zinc/45/91/32/968459132.db2.gz	PBOOLVBLWSRTRB-GOSISDBHSA-N	1	0	353.426	1.530	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3nccnc3c1)C2	ZINC001110675371	968467286	/nfs/dbraw/zinc/46/72/86/968467286.db2.gz	UGHAHGVNIFENSC-INMHGKMJSA-N	1	0	353.426	1.563	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1	ZINC000853988691	968502116	/nfs/dbraw/zinc/50/21/16/968502116.db2.gz	BODXCMBMTVGAQB-ILXRZTDVSA-N	1	0	365.478	1.529	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ccn1	ZINC001191547878	968605704	/nfs/dbraw/zinc/60/57/04/968605704.db2.gz	DPJQQPIOEANWDW-MOPGFXCFSA-N	1	0	363.421	1.464	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@H]1O	ZINC001191598908	968651761	/nfs/dbraw/zinc/65/17/61/968651761.db2.gz	RIZPUZPDBJEDPB-KFKAGJAMSA-N	1	0	369.465	1.877	20	30		FDEDRO
C=CC[C@@]1(C(=O)N[C@@H](CO)C[NH+](C)C)CCCN1C(=O)OC(C)(C)C	ZINC000854464953	968912914	/nfs/dbraw/zinc/91/29/14/968912914.db2.gz	NFQSCQNNDNZEQD-KDOFPFPSSA-N	1	0	355.479	1.371	20	30		FDEDRO
COc1cc(C#N)ccc1C(=O)N1Cc2nccn2C[C@H](C[NH+](C)C)C1	ZINC001192256408	969009708	/nfs/dbraw/zinc/00/97/08/969009708.db2.gz	GAFOLKSZTJERCC-HNNXBMFYSA-N	1	0	353.426	1.597	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O	ZINC001192328424	969066201	/nfs/dbraw/zinc/06/62/01/969066201.db2.gz	GHKXNBOHAHDMET-RTBURBONSA-N	1	0	356.466	1.519	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1ccc2[nH]c(=O)n(CC(F)(F)F)c2c1	ZINC000854664352	969066993	/nfs/dbraw/zinc/06/69/93/969066993.db2.gz	QWPICMUPHGGWMD-UHFFFAOYSA-N	1	0	368.359	1.989	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@H+](CCOc2cccc(CC)c2)C[C@H]1O	ZINC001192374208	969086337	/nfs/dbraw/zinc/08/63/37/969086337.db2.gz	ACLLXIYQACOPIZ-WOJBJXKFSA-N	1	0	358.482	1.983	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCOc2cc(C)cc(C)c2)C[C@H]1O	ZINC001192546462	969157177	/nfs/dbraw/zinc/15/71/77/969157177.db2.gz	GXDAENUZOQYKKB-GGPKGHCWSA-N	1	0	362.470	1.171	20	30		FDEDRO
N#Cc1cccc([C@H](O)C[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)c1	ZINC001192731548	969247887	/nfs/dbraw/zinc/24/78/87/969247887.db2.gz	WRPJAXGKJVBQQQ-LJQANCHMSA-N	1	0	366.421	1.629	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1C[N@H+](C[C@H]2[C@H](c3ccccc3)C2(F)F)C[C@H]1O	ZINC001192761366	969273106	/nfs/dbraw/zinc/27/31/06/969273106.db2.gz	GDWWTCOERDDSPQ-FAJBIJEISA-N	1	0	362.420	1.856	20	30		FDEDRO
COc1ccc(OCCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C2)cc1	ZINC001192804905	969308682	/nfs/dbraw/zinc/30/86/82/969308682.db2.gz	LZMSDONTRNLTOO-RTBURBONSA-N	1	0	360.454	1.285	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1CN([C@H](C)c2ccc(Cl)cc2)C[C@H]1O	ZINC001192878760	969327747	/nfs/dbraw/zinc/32/77/47/969327747.db2.gz	LHRVXFCNZFIDIK-KBRIMQKVSA-N	1	0	350.846	1.602	20	30		FDEDRO
C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CCN(S(=O)(=O)CC#N)CC2	ZINC001192951625	969371036	/nfs/dbraw/zinc/37/10/36/969371036.db2.gz	KVYIWQLGZUOZEK-AWEZNQCLSA-N	1	0	353.444	1.188	20	30		FDEDRO
N#Cc1ccncc1C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1	ZINC001192968099	969407404	/nfs/dbraw/zinc/40/74/04/969407404.db2.gz	RXOHGZDNXLSTEW-YQQAZPJKSA-N	1	0	364.409	1.015	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2CC(F)F)C1	ZINC001192977933	969415538	/nfs/dbraw/zinc/41/55/38/969415538.db2.gz	MTBCMOUDTQUXRR-UKRRQHHQSA-N	1	0	356.417	1.670	20	30		FDEDRO
COC(=O)c1cn([C@H]2CCC[N@H+](C[C@@H](O)c3cccc(C#N)c3)C2)nn1	ZINC001193055535	969460154	/nfs/dbraw/zinc/46/01/54/969460154.db2.gz	XNJMRXMBVXTGOX-DOTOQJQBSA-N	1	0	355.398	1.307	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3c2cccc3OC)C1	ZINC001193415692	969692256	/nfs/dbraw/zinc/69/22/56/969692256.db2.gz	KDQCATMKOPYSAW-FRFSOERESA-N	1	0	358.442	1.473	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1O)OCC	ZINC001193422347	969697625	/nfs/dbraw/zinc/69/76/25/969697625.db2.gz	PLQRPQKCAKIWNA-BRWVUGGUSA-N	1	0	352.500	1.823	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1	ZINC001193456153	969719378	/nfs/dbraw/zinc/71/93/78/969719378.db2.gz	NTUBTDPUAMSIOM-KZNAEPCWSA-N	1	0	367.534	1.623	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(OCCOC)nc2)C1	ZINC001193535412	969721548	/nfs/dbraw/zinc/72/15/48/969721548.db2.gz	KSDRCBHTZUTUAN-USXIJHARSA-N	1	0	363.458	1.236	20	30		FDEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)c1ccc([O-])c(C#N)c1)CC2	ZINC001193505805	969729111	/nfs/dbraw/zinc/72/91/11/969729111.db2.gz	JACXCHXNPWEXNY-UHFFFAOYSA-N	1	0	356.426	1.080	20	30		FDEDRO
Cn1ccnc1S(=O)(=O)NC1(C#N)CCN(Cc2ccccc2)CC1	ZINC001193622446	969773182	/nfs/dbraw/zinc/77/31/82/969773182.db2.gz	SMWULTGXUQKSMT-UHFFFAOYSA-N	1	0	359.455	1.257	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@H]2O)CCOCC1	ZINC001193726407	969817491	/nfs/dbraw/zinc/81/74/91/969817491.db2.gz	BZBXPXHLWCLOTF-QZTJIDSGSA-N	1	0	360.498	1.548	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](CCCC(C)(C)C)C[C@H]2O)CCOCC1	ZINC001193728669	969818834	/nfs/dbraw/zinc/81/88/34/969818834.db2.gz	QKFUZNJSGKJTCK-IAGOWNOFSA-N	1	0	350.503	1.794	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cccnc3)c2)C1	ZINC001193737734	969821136	/nfs/dbraw/zinc/82/11/36/969821136.db2.gz	FYCDBHOHKATTER-RTBURBONSA-N	1	0	369.469	1.789	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](CCCc3cccc(OC)c3)C[C@H]2O)CCC1	ZINC001193711271	969836343	/nfs/dbraw/zinc/83/63/43/969836343.db2.gz	QOSBGEGPMHGTNC-WOJBJXKFSA-N	1	0	370.493	1.983	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc3c(c2)NC(=O)C3)C1	ZINC001193842513	969867215	/nfs/dbraw/zinc/86/72/15/969867215.db2.gz	AVDRHLXTSNJPNY-MORSLUCNSA-N	1	0	357.454	1.240	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]cnc2C(F)(F)F)C1	ZINC001193812851	969877501	/nfs/dbraw/zinc/87/75/01/969877501.db2.gz	UZUOKVABXJIFBB-VXGBXAGGSA-N	1	0	360.380	1.950	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@@H+](CC)[C@@H]2CCN(C)C2=O)CC1	ZINC000957755705	1013916513	/nfs/dbraw/zinc/91/65/13/1013916513.db2.gz	OCCZZMYRCBBOHI-KURKYZTESA-N	1	0	363.502	1.369	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1O	ZINC001193902431	969914974	/nfs/dbraw/zinc/91/49/74/969914974.db2.gz	RSNXCDPXQGYLQK-IAOVAPTHSA-N	1	0	362.499	1.155	20	30		FDEDRO
CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)C1	ZINC000776752974	969929309	/nfs/dbraw/zinc/92/93/09/969929309.db2.gz	PZXVDKRQHYMHCW-COXVUDFISA-N	1	0	358.442	1.931	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCc2ccnn2C)C1	ZINC001194024012	969959083	/nfs/dbraw/zinc/95/90/83/969959083.db2.gz	VHWXHWLNNSWQJZ-IAGOWNOFSA-N	1	0	352.479	1.068	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](NC(C)=O)C2CCCC2)C1	ZINC001194545257	970241853	/nfs/dbraw/zinc/24/18/53/970241853.db2.gz	NWGQBPNZPPYPOO-QRVBRYPASA-N	1	0	367.534	1.813	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COc3ccc(Cl)cc32)C1	ZINC001194652291	970288749	/nfs/dbraw/zinc/28/87/49/970288749.db2.gz	PPBIGIRDOSLVSS-BZUAXINKSA-N	1	0	350.846	1.944	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OC)cc1	ZINC001110461695	970425580	/nfs/dbraw/zinc/42/55/80/970425580.db2.gz	DSTDLBBGPRRSSL-NXHRZFHOSA-N	1	0	355.438	1.056	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](CCc2scnc2C)C[C@H]1O	ZINC001195019917	970647292	/nfs/dbraw/zinc/64/72/92/970647292.db2.gz	CDNYDNYPKYLIQI-RKVPGOIHSA-N	1	0	367.515	1.384	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3cc(F)ccc3n2)C1	ZINC001195068791	970658909	/nfs/dbraw/zinc/65/89/09/970658909.db2.gz	VQPIOFJNSDLZHI-KBRIMQKVSA-N	1	0	360.433	1.532	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1ccc(F)cc1	ZINC001110466309	970720973	/nfs/dbraw/zinc/72/09/73/970720973.db2.gz	KUMWFWBFDDCFTG-PILAGYSTSA-N	1	0	357.429	1.748	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1ccccc1F	ZINC001110466414	970722111	/nfs/dbraw/zinc/72/21/11/970722111.db2.gz	OKJMUWRWJXCTIH-JFTQMJAMSA-N	1	0	357.429	1.748	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2nc(C(C)C)no2)C1	ZINC001195198128	970761564	/nfs/dbraw/zinc/76/15/64/970761564.db2.gz	MQNHRWBEYGTYSO-RRFJBIMHSA-N	1	0	350.463	1.642	20	30		FDEDRO
C#C[C@@H](NCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[C@H]1CCCO1	ZINC000775807679	972642955	/nfs/dbraw/zinc/64/29/55/972642955.db2.gz	UPSJZDYDYIJJDE-UKRRQHHQSA-N	1	0	370.858	1.452	20	30		FDEDRO
C#C[C@@H](NCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[C@@H]1CCCO1	ZINC000775807678	972643264	/nfs/dbraw/zinc/64/32/64/972643264.db2.gz	UPSJZDYDYIJJDE-HIFRSBDPSA-N	1	0	370.858	1.452	20	30		FDEDRO
Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C=NNc1cc[nH+]cc1C	ZINC000863156841	972686980	/nfs/dbraw/zinc/68/69/80/972686980.db2.gz	CYOYSIJFQYNCQW-LBPRGKRZSA-N	1	0	367.862	1.776	20	30		FDEDRO
CC(=NNc1cc[nH+]c(C)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000863158601	972688272	/nfs/dbraw/zinc/68/82/72/972688272.db2.gz	ISGKKTABTQACHE-UHFFFAOYSA-N	1	0	374.466	1.669	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N(CC)CC)cc2)C1	ZINC001198103267	972783037	/nfs/dbraw/zinc/78/30/37/972783037.db2.gz	BESITQTVEROFMI-RTBURBONSA-N	1	0	361.486	1.510	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C(F)(F)F)cnn2C)C1	ZINC001198261352	972913283	/nfs/dbraw/zinc/91/32/83/972913283.db2.gz	CSHHSWJWBVIMRA-CYZMBNFOSA-N	1	0	360.380	1.569	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@H](O)COc2ccccc2C#N)C1	ZINC000863553554	973010955	/nfs/dbraw/zinc/01/09/55/973010955.db2.gz	DWSCLHIHAHIXLP-INIZCTEOSA-N	1	0	361.442	1.754	20	30		FDEDRO
C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)[C@H](O)c1ccc2c(c1)OCO2	ZINC000863562934	973017980	/nfs/dbraw/zinc/01/79/80/973017980.db2.gz	NKSDBVCHYOQDJO-JOQOYGCGSA-N	1	0	362.426	1.498	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1	ZINC000645164685	1014091222	/nfs/dbraw/zinc/09/12/22/1014091222.db2.gz	RYDFAWHIUPZHEY-WOJBJXKFSA-N	1	0	372.513	1.439	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)CC(=O)Nc2ccc3c(c2)OCCO3)CC1	ZINC000863748149	973166974	/nfs/dbraw/zinc/16/69/74/973166974.db2.gz	WVCJWQILGWXMOH-UHFFFAOYSA-N	1	0	371.437	1.200	20	30		FDEDRO
C#C[C@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)c1ccc(Cl)cc1	ZINC000867281298	973280373	/nfs/dbraw/zinc/28/03/73/973280373.db2.gz	DJEJKTGIPNZTSC-KRWDZBQOSA-N	1	0	369.918	1.571	20	30		FDEDRO
Cn1c(CC#N)nn(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1=S	ZINC000794632637	973493614	/nfs/dbraw/zinc/49/36/14/973493614.db2.gz	JDISRNWSHHIZCP-MGPQQGTHSA-N	1	0	350.492	1.158	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C(=O)NC)c2)C1	ZINC001198833303	973526186	/nfs/dbraw/zinc/52/61/86/973526186.db2.gz	AIISPUXXGLCNBM-QZTJIDSGSA-N	1	0	359.470	1.568	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c3c2cccc3CC)C1	ZINC001199065017	973874786	/nfs/dbraw/zinc/87/47/86/973874786.db2.gz	USEQQWNNXTZBLH-QZTJIDSGSA-N	1	0	357.454	1.708	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cc(F)ccc2F)C1	ZINC001199088184	973906018	/nfs/dbraw/zinc/90/60/18/973906018.db2.gz	JDXGNESWHTUMGW-IAGOWNOFSA-N	1	0	354.397	1.261	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)/C=C\CN1CCOCC1	ZINC000865040666	974033480	/nfs/dbraw/zinc/03/34/80/974033480.db2.gz	VVRGACDFJMRZST-DAXSKMNVSA-N	1	0	356.470	1.337	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@](C)(NC(C)=O)C(C)C)C1	ZINC001199262294	974097005	/nfs/dbraw/zinc/09/70/05/974097005.db2.gz	YTTRPKODDVVRIA-ZHALLVOQSA-N	1	0	353.507	1.445	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cccc(OC(C)C)c2)C1	ZINC001199292207	974130826	/nfs/dbraw/zinc/13/08/26/974130826.db2.gz	DOASJDQBCWHIOO-RTBURBONSA-N	1	0	362.470	1.380	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ccccc2OC(C)C)C[C@H]1O	ZINC001199312246	974151454	/nfs/dbraw/zinc/15/14/54/974151454.db2.gz	DMKJGPQTYGYVPF-KBAYOESNSA-N	1	0	362.470	1.726	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(OC)ncnc2OC)C1	ZINC001199439788	974285052	/nfs/dbraw/zinc/28/50/52/974285052.db2.gz	XDYBXJZFYPZYEN-ZIAGYGMSSA-N	1	0	364.446	1.015	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]C[C@]1(N2CCOCC2)CCSC1	ZINC000865426405	974290474	/nfs/dbraw/zinc/29/04/74/974290474.db2.gz	NUYPHLNMZAIGAP-LJQANCHMSA-N	1	0	360.527	1.922	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@]2(C)CCC(=O)N2)C1	ZINC001199589481	974392823	/nfs/dbraw/zinc/39/28/23/974392823.db2.gz	AFSYIHDMUGMEPG-GPMSIDNRSA-N	1	0	353.507	1.567	20	30		FDEDRO
C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C	ZINC000865706441	974431288	/nfs/dbraw/zinc/43/12/88/974431288.db2.gz	WHQWTWFWJHDYAI-ZIAGYGMSSA-N	1	0	374.913	1.384	20	30		FDEDRO
Cc1cccc(OC[C@@H](O)C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC2CC2)C3)c1	ZINC001110543617	974554619	/nfs/dbraw/zinc/55/46/19/974554619.db2.gz	ZUEPGGHFGHAEIC-JYRKZWEQSA-N	1	0	368.477	1.870	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@]2(NC(=O)OC(C)(C)C)CC2(F)F)CC1	ZINC000866016017	974623743	/nfs/dbraw/zinc/62/37/43/974623743.db2.gz	UUXIBGUKVCATJJ-KRWDZBQOSA-N	1	0	371.428	1.893	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)c1ccc(F)cc1	ZINC001110551003	974734100	/nfs/dbraw/zinc/73/41/00/974734100.db2.gz	KSNBRJWCGVMVFK-YRXWBPOGSA-N	1	0	360.429	1.621	20	30		FDEDRO
C=CCN1CC[C@]2(CCCN(C(=S)NCC[NH+]3CCCCC3)C2)C1=O	ZINC001200424026	974782220	/nfs/dbraw/zinc/78/22/20/974782220.db2.gz	WEEMBBSKNBELSG-IBGZPJMESA-N	1	0	364.559	1.847	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCCCCOC)C1	ZINC001200529226	974808787	/nfs/dbraw/zinc/80/87/87/974808787.db2.gz	SRDUCLXTUFVULQ-QRVBRYPASA-N	1	0	368.518	1.991	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCCO[C@H]2C(C)C)CC1	ZINC001200637444	974853108	/nfs/dbraw/zinc/85/31/08/974853108.db2.gz	UNSUUCPBTDRWGY-SZMVWBNQSA-N	1	0	365.518	1.709	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)CCCO1	ZINC001200721056	974882174	/nfs/dbraw/zinc/88/21/74/974882174.db2.gz	FUSLGTMCLWVRIB-KURKYZTESA-N	1	0	362.474	1.281	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)c1	ZINC000105728048	974933469	/nfs/dbraw/zinc/93/34/69/974933469.db2.gz	LDSGCPDGBCISNR-UHFFFAOYSA-N	1	0	364.405	1.359	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@]23CCC[C@H]2OCC3)CCCO1	ZINC001200944115	974942695	/nfs/dbraw/zinc/94/26/95/974942695.db2.gz	GBMIXQXLICVMSW-LMMKCTJWSA-N	1	0	352.475	1.355	20	30		FDEDRO
C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)CCCO1	ZINC001201021483	974946238	/nfs/dbraw/zinc/94/62/38/974946238.db2.gz	ATZPRTNRCYIQAX-AABGKKOBSA-N	1	0	356.466	1.617	20	30		FDEDRO
C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1ccc(OCC#N)cc1	ZINC000776163435	975025638	/nfs/dbraw/zinc/02/56/38/975025638.db2.gz	QWAJQCWPRMHUNR-ZDUSSCGKSA-N	1	0	364.427	1.347	20	30		FDEDRO
COc1cccc([C@@]2(C)NC(=O)N(N=Cc3c[nH+]ccc3N(C)C)C2=O)c1	ZINC000776186227	975053806	/nfs/dbraw/zinc/05/38/06/975053806.db2.gz	VSAPZWKJUBTMHA-LJQANCHMSA-N	1	0	367.409	1.957	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCOCC2CC2)C1	ZINC001201437642	975060496	/nfs/dbraw/zinc/06/04/96/975060496.db2.gz	GACASWQAGANOFT-KSZLIROESA-N	1	0	352.475	1.211	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCCOC(C)C)C1	ZINC001201438853	975061309	/nfs/dbraw/zinc/06/13/09/975061309.db2.gz	PXEVQDLNPYCPCO-KSZLIROESA-N	1	0	354.491	1.600	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[C@H]1CCCCO1)C2	ZINC001110572414	975200558	/nfs/dbraw/zinc/20/05/58/975200558.db2.gz	AQLDETWNGOCDQH-WCXIOVBPSA-N	1	0	361.486	1.053	20	30		FDEDRO
C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1	ZINC000867418172	975208260	/nfs/dbraw/zinc/20/82/60/975208260.db2.gz	SQQDRFGZSQAHRS-LRDDRELGSA-N	1	0	361.870	1.205	20	30		FDEDRO
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1	ZINC000847317859	975466489	/nfs/dbraw/zinc/46/64/89/975466489.db2.gz	ZMJBEEYCCSLNQP-GVDBMIGSSA-N	1	0	358.442	1.328	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1	ZINC000866771695	976022784	/nfs/dbraw/zinc/02/27/84/976022784.db2.gz	ISZFFYPNQRPJNY-DLBZAZTESA-N	1	0	367.446	1.604	20	30		FDEDRO
N#CCc1ccccc1S(=O)(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000866791683	976054086	/nfs/dbraw/zinc/05/40/86/976054086.db2.gz	HYEXOCINNHZDCT-KRWDZBQOSA-N	1	0	363.483	1.674	20	30		FDEDRO
Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H]3CCCN(O)C3=O)CC2)c1	ZINC000848136692	976367651	/nfs/dbraw/zinc/36/76/51/976367651.db2.gz	PXWDCZWNIDGSFF-QGZVFWFLSA-N	1	0	360.458	1.004	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000848774204	977082951	/nfs/dbraw/zinc/08/29/51/977082951.db2.gz	KMJXWOIZJZKKOQ-GDBMZVCRSA-N	1	0	359.426	1.452	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCCC(=O)NC1CCCCC1	ZINC000867945715	977125427	/nfs/dbraw/zinc/12/54/27/977125427.db2.gz	HGCXULOJSNMLDQ-LJQANCHMSA-N	1	0	354.454	1.700	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N(CCC(N)=O)Cc1ccccc1	ZINC000867947444	977126960	/nfs/dbraw/zinc/12/69/60/977126960.db2.gz	FIVONTUMVUFXON-HXUWFJFHSA-N	1	0	362.433	1.649	20	30		FDEDRO
Cn1cc(CCNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)c2cccnc21	ZINC000867999781	977184817	/nfs/dbraw/zinc/18/48/17/977184817.db2.gz	NDDGVVBYKNZQLM-LJQANCHMSA-N	1	0	359.433	1.991	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)NC2(CCOC)CC[NH2+]CC2)cc1	ZINC000868110103	977293105	/nfs/dbraw/zinc/29/31/05/977293105.db2.gz	SKAKHYZLVYESFV-UHFFFAOYSA-N	1	0	360.458	1.883	20	30		FDEDRO
CC(C)CC(=O)N1CCN(C(=O)CCCCCNC2=[NH+]C[C@H](C)N2)CC1	ZINC000849050613	977293417	/nfs/dbraw/zinc/29/34/17/977293417.db2.gz	ZWLZFAFHLZUPRV-INIZCTEOSA-N	1	0	365.522	1.201	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1	ZINC000849079118	977306260	/nfs/dbraw/zinc/30/62/60/977306260.db2.gz	TYWZAVJEMRNVKJ-UHFFFAOYSA-N	1	0	365.377	1.800	20	30		FDEDRO
Cc1ncsc1CCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000849114937	977326988	/nfs/dbraw/zinc/32/69/88/977326988.db2.gz	ZEYDULRXVLFVKU-CYBMUJFWSA-N	1	0	365.503	1.875	20	30		FDEDRO
N#CCCN(CCN1CCOCC1)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1	ZINC000868185680	977336791	/nfs/dbraw/zinc/33/67/91/977336791.db2.gz	XZKPIUVDOMJTMS-ZWKOTPCHSA-N	1	0	357.458	1.581	20	30		FDEDRO
N#Cc1cccc([C@@H](NC(=O)NCCCN2CC[NH2+]CC2)C(F)(F)F)c1	ZINC000868210445	977347087	/nfs/dbraw/zinc/34/70/87/977347087.db2.gz	OVMPODFZBITUBN-OAHLLOKOSA-N	1	0	369.391	1.756	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cc1C#N	ZINC000868251840	977395279	/nfs/dbraw/zinc/39/52/79/977395279.db2.gz	BFJJIGJJKSIBIM-QGZVFWFLSA-N	1	0	370.453	1.742	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000868259164	977406845	/nfs/dbraw/zinc/40/68/45/977406845.db2.gz	HYJRKVKLFVHTHF-UHFFFAOYSA-N	1	0	370.497	1.620	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1	ZINC000868267316	977419048	/nfs/dbraw/zinc/41/90/48/977419048.db2.gz	HFQQWDLCUXIGSJ-AWEZNQCLSA-N	1	0	361.417	1.671	20	30		FDEDRO
C#CCOc1cccc(NC(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)c1	ZINC000108516602	977460171	/nfs/dbraw/zinc/46/01/71/977460171.db2.gz	ADCDJFWLAXOIGI-UHFFFAOYSA-N	1	0	372.469	1.717	20	30		FDEDRO
C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCO[C@H]1c1cnn(C)c1	ZINC001114420160	977507624	/nfs/dbraw/zinc/50/76/24/977507624.db2.gz	CPUCICDBWUYRGL-GFEQUFNTSA-N	1	0	358.486	1.900	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1	ZINC000868365913	977543080	/nfs/dbraw/zinc/54/30/80/977543080.db2.gz	KIMVWFBEPISQCW-MRXNPFEDSA-N	1	0	357.433	1.766	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](C(=O)N2CCSC[C@@H]2C#N)[C@@H](c2cnn(C)c2)C1	ZINC000849572881	977773807	/nfs/dbraw/zinc/77/38/07/977773807.db2.gz	DUVQNQRTIDGSLK-YESZJQIVSA-N	1	0	361.515	1.702	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](C(=O)N2CCSC[C@H]2C#N)[C@H](c2cnn(C)c2)C1	ZINC000849572877	977774643	/nfs/dbraw/zinc/77/46/43/977774643.db2.gz	DUVQNQRTIDGSLK-IKGGRYGDSA-N	1	0	361.515	1.702	20	30		FDEDRO
C=CCn1cc(CNC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)nn1	ZINC000849606384	977836884	/nfs/dbraw/zinc/83/68/84/977836884.db2.gz	OSUOLELSFNFPMR-QZTJIDSGSA-N	1	0	371.489	1.328	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCNC(=O)c1ccncc1)C2	ZINC001110618165	978118830	/nfs/dbraw/zinc/11/88/30/978118830.db2.gz	PJWIBZZSXOMROF-KURKYZTESA-N	1	0	356.470	1.889	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N(CC)[C@@H]1CC[N@H+](CC)C1	ZINC000850607572	978476917	/nfs/dbraw/zinc/47/69/17/978476917.db2.gz	LVHYOMVNXRCVRA-OAHLLOKOSA-N	1	0	361.417	1.719	20	30		FDEDRO
N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc(I)cc1F	ZINC000850755776	978662010	/nfs/dbraw/zinc/66/20/10/978662010.db2.gz	IIHAKIJLVHDQMZ-HQJQHLMTSA-N	1	0	374.157	1.663	20	30		FDEDRO
N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc(I)cc1F	ZINC000850755770	978662130	/nfs/dbraw/zinc/66/21/30/978662130.db2.gz	IIHAKIJLVHDQMZ-CPCISQLKSA-N	1	0	374.157	1.663	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(c2nc(C)ncc2C)CC1	ZINC001110630045	978875652	/nfs/dbraw/zinc/87/56/52/978875652.db2.gz	IYOLHADKIZZWMS-VQIMIIECSA-N	1	0	369.513	1.864	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(c2ccc(C#N)nn2)CC1	ZINC001110630010	978875826	/nfs/dbraw/zinc/87/58/26/978875826.db2.gz	HDHFWAAMPYUIME-CRAIPNDOSA-N	1	0	366.469	1.119	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(CC)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1	ZINC000967998819	1014535222	/nfs/dbraw/zinc/53/52/22/1014535222.db2.gz	BTCVPBDIZPJQTN-SZMVWBNQSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1	ZINC000968002503	1014541326	/nfs/dbraw/zinc/54/13/26/1014541326.db2.gz	CKQSMZJHAKIOGS-IEZWGBDMSA-N	1	0	363.502	1.369	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@H]2CCN(Cc3ccc(OC)cc3)C2=O)CC1	ZINC000851740385	979023585	/nfs/dbraw/zinc/02/35/85/979023585.db2.gz	QNXYWZRRSKYPJM-IBGZPJMESA-N	1	0	369.465	1.258	20	30		FDEDRO
C#CCN(CC(=O)N1CCCN(c2cc[nH+]cc2)CC1)C(=O)OC(C)(C)C	ZINC000880379295	979143875	/nfs/dbraw/zinc/14/38/75/979143875.db2.gz	XOIHRNJZRGMWKK-UHFFFAOYSA-N	1	0	372.469	1.991	20	30		FDEDRO
COc1cccc2c1CC[C@]2(CO)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1	ZINC000880379993	979144981	/nfs/dbraw/zinc/14/49/81/979144981.db2.gz	KSRYPEVLINSTDG-IIBYNOLFSA-N	1	0	368.433	1.730	20	30		FDEDRO
CC[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)[C@@H]1CCCOC1	ZINC000880470169	979215373	/nfs/dbraw/zinc/21/53/73/979215373.db2.gz	NRFPVWXFQJTIJS-FGTMMUONSA-N	1	0	350.507	1.474	20	30		FDEDRO
C#CCC1(O)CC[NH+]([C@@H](C)C(=O)N2CCC(C(=O)OCC)CC2)CC1	ZINC000880477525	979218217	/nfs/dbraw/zinc/21/82/17/979218217.db2.gz	JJCSQPYKMSAMMP-HNNXBMFYSA-N	1	0	350.459	1.027	20	30		FDEDRO
C#CCC1(O)CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)CC1	ZINC000880479841	979220482	/nfs/dbraw/zinc/22/04/82/979220482.db2.gz	ZSVNSIKFCNJLAR-HOTGVXAUSA-N	1	0	372.465	1.874	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000968010458	1014563547	/nfs/dbraw/zinc/56/35/47/1014563547.db2.gz	HMOMOMIMDSZJNI-BGTYHANMSA-N	1	0	363.502	1.367	20	30		FDEDRO
C#C[C@](C)(CC)[NH2+][C@@H](C)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1	ZINC000852098331	979350212	/nfs/dbraw/zinc/35/02/12/979350212.db2.gz	KLQCIWSEAFGPNX-HXPMCKFVSA-N	1	0	360.410	1.978	20	30		FDEDRO
C#C[C@@](C)(CC)[NH2+]CC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1	ZINC000852100598	979350984	/nfs/dbraw/zinc/35/09/84/979350984.db2.gz	IMOIXNWXBZQTNL-KRWDZBQOSA-N	1	0	367.471	1.276	20	30		FDEDRO
C[NH+]1CCN(C(C)(C)CNC(=O)Nc2cc(C#N)c(F)cc2F)CC1	ZINC000880716517	979406089	/nfs/dbraw/zinc/40/60/89/979406089.db2.gz	PLCXPYIGPJCOCX-UHFFFAOYSA-N	1	0	351.401	1.984	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3cccc(C#Cc4ccccn4)c3)[C@H]2C1	ZINC000645618542	1014630324	/nfs/dbraw/zinc/63/03/24/1014630324.db2.gz	LBOMZYPQMZLRCL-XLIONFOSSA-N	1	0	374.444	1.582	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)c2cc(F)cc(C#N)c2)CCN1c1cc[nH+]cc1	ZINC000882619588	980759965	/nfs/dbraw/zinc/75/99/65/980759965.db2.gz	PVDKCIWXVLRKJN-ZDUSSCGKSA-N	1	0	360.414	1.992	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C	ZINC000780466543	981792476	/nfs/dbraw/zinc/79/24/76/981792476.db2.gz	RUWCXRLUJUPSTJ-INIZCTEOSA-N	1	0	359.470	1.685	20	30		FDEDRO
C=CCC[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)[C@H]1Cc2ccccc2O1	ZINC000883232072	982025526	/nfs/dbraw/zinc/02/55/26/982025526.db2.gz	AJGKLIUQLKRPDJ-XYJFISCASA-N	1	0	350.484	1.948	20	30		FDEDRO
C=C(C)C[C@@H](CO)NC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000883313483	982066763	/nfs/dbraw/zinc/06/67/63/982066763.db2.gz	FKAAFWIOGVANCX-OALUTQOASA-N	1	0	360.502	1.601	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)NC3CCN(CC#N)CC3)cc2)CC1	ZINC000883349009	982090981	/nfs/dbraw/zinc/09/09/81/982090981.db2.gz	MIJKASZSRQWRCE-UHFFFAOYSA-N	1	0	370.501	1.226	20	30		FDEDRO
C#CCCOc1ccc(C[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)cc1	ZINC000883372332	982101393	/nfs/dbraw/zinc/10/13/93/982101393.db2.gz	XAMCADVFWFYQQC-OAQYLSRUSA-N	1	0	371.525	1.975	20	30		FDEDRO
C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000883388701	982108006	/nfs/dbraw/zinc/10/80/06/982108006.db2.gz	ARBDBBUKHJFPQJ-WBVHZDCISA-N	1	0	368.499	1.685	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)Nc2cc(C)on2)CC1	ZINC001202559731	982555993	/nfs/dbraw/zinc/55/59/93/982555993.db2.gz	LMLDWQJJYVNDAG-CABCVRRESA-N	1	0	362.430	1.093	20	30		FDEDRO
C[N@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000859153542	982580177	/nfs/dbraw/zinc/58/01/77/982580177.db2.gz	SZMFWLOOQCGTEI-JKSUJKDBSA-N	1	0	367.490	1.999	20	30		FDEDRO
Cc1noc(COc2ccc(C(=O)NC3(C#N)CC[NH+](C)CC3)cn2)n1	ZINC000859255864	982651356	/nfs/dbraw/zinc/65/13/56/982651356.db2.gz	CSVXCJXJFMZYLZ-UHFFFAOYSA-N	1	0	356.386	1.070	20	30		FDEDRO
C[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)C1CN(C(=O)OC(C)(C)C)C1	ZINC000859310996	982702504	/nfs/dbraw/zinc/70/25/04/982702504.db2.gz	ZPXGZDRMGLVEDR-HNNXBMFYSA-N	1	0	353.463	1.609	20	30		FDEDRO
O=C1OCCN1C[C@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000859318617	982707936	/nfs/dbraw/zinc/70/79/36/982707936.db2.gz	ILVXROZNTNCNMP-HNNXBMFYSA-N	1	0	367.405	1.060	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)NC1CCC([NH+]2CCCCC2)CC1	ZINC000800075198	982727609	/nfs/dbraw/zinc/72/76/09/982727609.db2.gz	VVOWRCYWBUGKRA-UHFFFAOYSA-N	1	0	372.535	1.480	20	30		FDEDRO
CCCCCCCNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C	ZINC000859343122	982728178	/nfs/dbraw/zinc/72/81/78/982728178.db2.gz	QUAXJXYEQKUERV-MRXNPFEDSA-N	1	0	353.507	1.785	20	30		FDEDRO
C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCC[NH+]1CCCC1	ZINC000800186088	982789208	/nfs/dbraw/zinc/78/92/08/982789208.db2.gz	RXBABBPPIFJGND-CQSZACIVSA-N	1	0	365.455	1.254	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)c2ccnc(N3CC[NH2+]CC3)c2)cc1	ZINC000884097229	982861968	/nfs/dbraw/zinc/86/19/68/982861968.db2.gz	YNZMUPOYXWEYOW-UHFFFAOYSA-N	1	0	365.437	1.659	20	30		FDEDRO
CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1	ZINC000884099613	982865120	/nfs/dbraw/zinc/86/51/20/982865120.db2.gz	UFUJZWPLBZMPAC-QQKHQHAUSA-N	1	0	360.502	1.669	20	30		FDEDRO
N#CCC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1	ZINC000331448509	982877085	/nfs/dbraw/zinc/87/70/85/982877085.db2.gz	LZLHXMWJRFRINM-GOSISDBHSA-N	1	0	354.454	1.483	20	30		FDEDRO
CCCCCC(=O)NC1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1	ZINC000884116087	982893308	/nfs/dbraw/zinc/89/33/08/982893308.db2.gz	LXMXVZJDFOLVCU-LFDOHDQPSA-N	1	0	360.502	1.813	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCN(C(=O)CC3CCCCC3)CC1)C2	ZINC000884118591	982898044	/nfs/dbraw/zinc/89/80/44/982898044.db2.gz	KLJPUDZFKAKOGO-WBTXTPOCSA-N	1	0	372.513	1.767	20	30		FDEDRO
COC(=O)[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)Cc1cccc(C)c1	ZINC000884129926	982912234	/nfs/dbraw/zinc/91/22/34/982912234.db2.gz	UBCMWRAMZYJNCI-RAJLDSNDSA-N	1	0	369.465	1.582	20	30		FDEDRO
CCN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[C@H]1CCN(c2ccccc2)C1=O	ZINC000884135240	982918027	/nfs/dbraw/zinc/91/80/27/982918027.db2.gz	FJBPLRZQPRRJGT-ZBZXYNRHSA-N	1	0	366.465	1.780	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1	ZINC000859572750	982923976	/nfs/dbraw/zinc/92/39/76/982923976.db2.gz	UAUSFEUAYUWBQV-INIZCTEOSA-N	1	0	351.244	1.008	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21	ZINC000331753773	982937673	/nfs/dbraw/zinc/93/76/73/982937673.db2.gz	COXVIEJJBWNZRR-ZWKOTPCHSA-N	1	0	359.474	1.278	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)N2CCC(C#N)CC2)C1	ZINC000331774541	982941521	/nfs/dbraw/zinc/94/15/21/982941521.db2.gz	FUGKZSCPOOIHPG-FUHWJXTLSA-N	1	0	360.502	1.862	20	30		FDEDRO
CCOc1ccc(C(=O)N(C)C)cc1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884167688	982942897	/nfs/dbraw/zinc/94/28/97/982942897.db2.gz	LLILNKSOGYBMKH-CHWWFWEZSA-N	1	0	370.453	1.865	20	30		FDEDRO
CCC(CC)[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)N1CCOCC1	ZINC000884184800	982960393	/nfs/dbraw/zinc/96/03/93/982960393.db2.gz	ZYNAFZQRGNNFBG-SFANZJOMSA-N	1	0	362.518	1.379	20	30		FDEDRO
CCn1c(CCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)nc2ccccc21	ZINC000884204097	982979007	/nfs/dbraw/zinc/97/90/07/982979007.db2.gz	NIURXDOSDCUNAL-CHWWFWEZSA-N	1	0	351.454	1.854	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C	ZINC000884231445	983006011	/nfs/dbraw/zinc/00/60/11/983006011.db2.gz	RAWGGEHOIJISCP-GJZGRUSLSA-N	1	0	353.850	1.506	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1	ZINC000884299019	983064807	/nfs/dbraw/zinc/06/48/07/983064807.db2.gz	JMVSWWOMDPXUSI-UAGQMJEPSA-N	1	0	363.433	1.082	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCO[C@H](CCc3ccccc3)C1)C2	ZINC000884313065	983076331	/nfs/dbraw/zinc/07/63/31/983076331.db2.gz	VLIRKWKEAFEUGG-XTBIFASLSA-N	1	0	353.466	1.986	20	30		FDEDRO
Cc1ccc(CN2CC[C@H](NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)C2=O)cc1	ZINC000884321963	983083651	/nfs/dbraw/zinc/08/36/51/983083651.db2.gz	CCTXDMVWTCRTPH-KQNFGGRRSA-N	1	0	366.465	1.352	20	30		FDEDRO
C[C@H](O)[C@](C)(CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)Cc1ccccc1	ZINC000884327250	983087697	/nfs/dbraw/zinc/08/76/97/983087697.db2.gz	NTYLVHOGMTYRGS-ZIIVORIMSA-N	1	0	355.482	1.872	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000884328773	983089312	/nfs/dbraw/zinc/08/93/12/983089312.db2.gz	XFJXSRFPGLEPDC-JQHSSLGASA-N	1	0	359.470	1.460	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CC[C@@H](C(=O)N3CCCCC3)C1)C2	ZINC000884334857	983094283	/nfs/dbraw/zinc/09/42/83/983094283.db2.gz	DJFNVKDIPAKHMA-RMEMFKQDSA-N	1	0	358.486	1.423	20	30		FDEDRO
C[C@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CCN1Cc1ccccc1	ZINC000884427118	983149738	/nfs/dbraw/zinc/14/97/38/983149738.db2.gz	IFNMRFFJVDFRTI-OMMGITJUSA-N	1	0	352.482	1.859	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1	ZINC000884466939	983172062	/nfs/dbraw/zinc/17/20/62/983172062.db2.gz	KMOMQDBPNRCGNR-HXUWFJFHSA-N	1	0	369.513	1.690	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)CN(C[N@@H+]3CC[C@@H]([C@H]4CCCO4)C3)C2=O)cc1	ZINC000884482500	983184485	/nfs/dbraw/zinc/18/44/85/983184485.db2.gz	CCEKOUJSQZBUGX-QZTJIDSGSA-N	1	0	368.437	1.781	20	30		FDEDRO
CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1C#N	ZINC000861523896	983762108	/nfs/dbraw/zinc/76/21/08/983762108.db2.gz	NAECKKRIYXLQAC-BXUZGUMPSA-N	1	0	373.413	1.322	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2ccsc2)C1	ZINC001111572158	983938549	/nfs/dbraw/zinc/93/85/49/983938549.db2.gz	AJXSAUQVGDZVCP-QOKNQOGYSA-N	1	0	361.511	1.952	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1	ZINC000118896071	984357291	/nfs/dbraw/zinc/35/72/91/984357291.db2.gz	KLVMNJYCVPOJQH-MRXNPFEDSA-N	1	0	357.454	1.875	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nnc3ccccc3n1)C2	ZINC001110820092	984388983	/nfs/dbraw/zinc/38/89/83/984388983.db2.gz	GTQBZFSBNQVMFB-XYPHTWIQSA-N	1	0	353.426	1.563	20	30		FDEDRO
CC(=O)NCC(=O)N1CCC[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)CC1	ZINC000862503734	984402021	/nfs/dbraw/zinc/40/20/21/984402021.db2.gz	DCDWCVKDOKZYAY-OAHLLOKOSA-N	1	0	358.442	1.148	20	30		FDEDRO
C#CC[C@H](COC)[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000862548287	984409626	/nfs/dbraw/zinc/40/96/26/984409626.db2.gz	BTHHERJMNHBJHD-MRXNPFEDSA-N	1	0	366.483	1.476	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnc3c1CCCC3)C2	ZINC001110821917	984419942	/nfs/dbraw/zinc/41/99/42/984419942.db2.gz	POJPCMAWWHFGEV-SUMDDJOVSA-N	1	0	358.486	1.686	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCc3c(F)ccc(C(=O)OC)c3C2)CC1	ZINC000862692028	984494759	/nfs/dbraw/zinc/49/47/59/984494759.db2.gz	YLBIWQHZJGEAKK-UHFFFAOYSA-N	1	0	358.413	1.842	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC2(OCCO)CCC(F)(F)CC2)CC1	ZINC000862742397	984518513	/nfs/dbraw/zinc/51/85/13/984518513.db2.gz	ZIAMIESAILUZSR-UHFFFAOYSA-N	1	0	358.429	1.405	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c1	ZINC000862791124	984536593	/nfs/dbraw/zinc/53/65/93/984536593.db2.gz	XPRUNZRKHUFGNK-HNNXBMFYSA-N	1	0	363.483	1.060	20	30		FDEDRO
C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1	ZINC000122320814	984664416	/nfs/dbraw/zinc/66/44/16/984664416.db2.gz	HIBGUZKOFLZNGR-CJNGLKHVSA-N	1	0	374.416	1.609	20	30		FDEDRO
CCCCCCCCNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2	ZINC000884668638	984672650	/nfs/dbraw/zinc/67/26/50/984672650.db2.gz	YFNWRBRWQQPUPT-INIZCTEOSA-N	1	0	353.507	1.738	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1	ZINC000884855469	984892125	/nfs/dbraw/zinc/89/21/25/984892125.db2.gz	HLKSBZRVEBMTPF-IAGOWNOFSA-N	1	0	365.518	1.840	20	30		FDEDRO
CC[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)[C@@]3(C#N)CCCOC3)C2)ccn1	ZINC000869350289	985044307	/nfs/dbraw/zinc/04/43/07/985044307.db2.gz	YMKBNRMOSBDFOO-AZUAARDMSA-N	1	0	372.469	1.833	20	30		FDEDRO
N#CCCc1ccc(S(=O)(=O)NC[C@H]2CCCCN2CCO)cc1	ZINC000885213847	985246817	/nfs/dbraw/zinc/24/68/17/985246817.db2.gz	IHODKESMNOZSGN-MRXNPFEDSA-N	1	0	351.472	1.268	20	30		FDEDRO
C=CC[C@@H]1N(C(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CCCC1(C)C	ZINC000885280655	985285241	/nfs/dbraw/zinc/28/52/41/985285241.db2.gz	RRFFBYGGOPJOEP-KGLIPLIRSA-N	1	0	357.445	1.941	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](CC)OC[C@H]2CC)CC1	ZINC000653393108	1015119062	/nfs/dbraw/zinc/11/90/62/1015119062.db2.gz	SKGNSIHABUEOSS-IAGOWNOFSA-N	1	0	351.491	1.559	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CC[N@@H+](CC(C)(C)O)C3)cc2C1=O	ZINC000869785227	985345552	/nfs/dbraw/zinc/34/55/52/985345552.db2.gz	ICWFCFAMYFJWCM-AWEZNQCLSA-N	1	0	371.437	1.044	20	30		FDEDRO
C#CCN1CCC[C@@H]([NH2+]Cc2ccc(OCC(=O)NCC)c(OC)c2)C1	ZINC000886213325	985978531	/nfs/dbraw/zinc/97/85/31/985978531.db2.gz	QPRLZPTVEWWMBK-QGZVFWFLSA-N	1	0	359.470	1.397	20	30		FDEDRO
CC[C@@H](C[NH+](C)C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000870550783	986114605	/nfs/dbraw/zinc/11/46/05/986114605.db2.gz	TVQLNQFVTKVNKK-OCCSQVGLSA-N	1	0	353.444	1.108	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@]2(CO)CCCN(C(=O)OC(C)(C)C)C2)C1=O	ZINC000886429314	986208801	/nfs/dbraw/zinc/20/88/01/986208801.db2.gz	ZMCLUVOBIUJTKV-KBXCAEBGSA-N	1	0	353.463	1.125	20	30		FDEDRO
CN(C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)[C@@H]1CCC[C@@H]1C#N	ZINC000870669124	986215334	/nfs/dbraw/zinc/21/53/34/986215334.db2.gz	OTSAVOMHOMQGAR-QLFBSQMISA-N	1	0	352.479	1.982	20	30		FDEDRO
C#CCN(C(=O)[C@H]1CN(Cc2ccccc2)CCO1)C1CC[NH+](C)CC1	ZINC000886580998	986383565	/nfs/dbraw/zinc/38/35/65/986383565.db2.gz	GANAGEAZKUPIQD-HXUWFJFHSA-N	1	0	355.482	1.443	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CCCN(C(=O)NCC(C)C)C1)C1CC[NH+](C)CC1	ZINC000886581078	986383779	/nfs/dbraw/zinc/38/37/79/986383779.db2.gz	IXQGNIXRIQMGAB-QGZVFWFLSA-N	1	0	362.518	1.620	20	30		FDEDRO
C#CCN(C(=O)CCCNC(=O)c1ccc(F)cc1)C1CC[NH+](C)CC1	ZINC000886583086	986387295	/nfs/dbraw/zinc/38/72/95/986387295.db2.gz	ABQHYSOZGPAPCS-UHFFFAOYSA-N	1	0	359.445	1.892	20	30		FDEDRO
C#CCN(C(=O)CCN1c2ccccc2O[C@H](C)C1=O)C1CC[NH+](C)CC1	ZINC000886585228	986389424	/nfs/dbraw/zinc/38/94/24/986389424.db2.gz	NDYWMFNRKODDBO-MRXNPFEDSA-N	1	0	369.465	1.747	20	30		FDEDRO
C#CCN(C(=O)CSCC(=O)N1CCCCC1)C1CC[NH+](C)CC1	ZINC000886585016	986389717	/nfs/dbraw/zinc/38/97/17/986389717.db2.gz	CXRBXOJBJMNWQK-UHFFFAOYSA-N	1	0	351.516	1.288	20	30		FDEDRO
C#CCN(C(=O)COc1cccc(N2CCCC2=O)c1)C1CC[NH+](C)CC1	ZINC000886587512	986392914	/nfs/dbraw/zinc/39/29/14/986392914.db2.gz	ZVFPKFOPHNIZEL-UHFFFAOYSA-N	1	0	369.465	1.748	20	30		FDEDRO
C#CCN(C(=O)CCc1nc2ccccc2oc1=O)C1CC[NH+](C)CC1	ZINC000886587302	986393360	/nfs/dbraw/zinc/39/33/60/986393360.db2.gz	QUSSVXRVTHPIAB-UHFFFAOYSA-N	1	0	353.422	1.677	20	30		FDEDRO
C#CCN(C(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C1CC[NH+](C)CC1	ZINC000886589068	986394340	/nfs/dbraw/zinc/39/43/40/986394340.db2.gz	IKVGYBBAWUIJMU-UHFFFAOYSA-N	1	0	363.483	1.107	20	30		FDEDRO
CCC1([NH+]2CCC2)CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1	ZINC000886717647	986496814	/nfs/dbraw/zinc/49/68/14/986496814.db2.gz	FNKCKQQFVFJDSB-UHFFFAOYSA-N	1	0	362.499	1.677	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)c3cn(C4CC[NH2+]CC4)nn3)CC2)cc1	ZINC000870981339	986559332	/nfs/dbraw/zinc/55/93/32/986559332.db2.gz	HGVRDKPBBMWOGY-UHFFFAOYSA-N	1	0	365.441	1.037	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1COc2cccc(Br)c2C1	ZINC000871008158	986589445	/nfs/dbraw/zinc/58/94/45/986589445.db2.gz	PTQYIOOHPDRDAO-GWCFXTLKSA-N	1	0	352.232	1.890	20	30		FDEDRO
C=CCn1c(-c2cn(C)nn2)nnc1N(CCOC)CC1CC[NH+](C)CC1	ZINC000871050512	986617705	/nfs/dbraw/zinc/61/77/05/986617705.db2.gz	GBDFXTAVOSMYNR-UHFFFAOYSA-N	1	0	374.493	1.054	20	30		FDEDRO
C=C(C)[C@@H](CO)[N@H+]1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1	ZINC000886882366	986685101	/nfs/dbraw/zinc/68/51/01/986685101.db2.gz	OVHCMXYRSFBKAV-YYHKSVKZSA-N	1	0	353.459	1.766	20	30		FDEDRO
COC[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCCOC1	ZINC000886913386	986734880	/nfs/dbraw/zinc/73/48/80/986734880.db2.gz	AXTGVXNMTHZJIC-DOTOQJQBSA-N	1	0	352.456	1.363	20	30		FDEDRO
CC(=O)[C@@](C#N)(CCSc1nnnn1CC[NH+](C)C)c1ccccc1	ZINC000871648209	987181449	/nfs/dbraw/zinc/18/14/49/987181449.db2.gz	AGCDQDNHNVBEHY-KRWDZBQOSA-N	1	0	358.471	1.767	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(Cc2nc([C@@H](C)C[NH2+]C)no2)s1	ZINC000871786054	987241594	/nfs/dbraw/zinc/24/15/94/987241594.db2.gz	XTPHKBCPKZUWRH-JTQLQIEISA-N	1	0	356.473	1.509	20	30		FDEDRO
C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)C2	ZINC000871815525	987269587	/nfs/dbraw/zinc/26/95/87/987269587.db2.gz	YBFSDQUIPAVMSB-SMDDNHRTSA-N	1	0	359.373	1.807	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1	ZINC000872188317	987491261	/nfs/dbraw/zinc/49/12/61/987491261.db2.gz	UDHMRVMOOWXGQB-FXAWDEMLSA-N	1	0	352.438	1.141	20	30		FDEDRO
CS(=O)(=O)c1ccc([C@H](O)C[NH2+][C@H]2Cc3ccc(C#N)cc3C2)cc1	ZINC000872238853	987535716	/nfs/dbraw/zinc/53/57/16/987535716.db2.gz	LMNIWZRDJNUSEK-PKOBYXMFSA-N	1	0	356.447	1.752	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](Cn2ncc3c2ccc(C)c3C(=O)OC)CC1	ZINC000872573475	987809511	/nfs/dbraw/zinc/80/95/11/987809511.db2.gz	CEPCTIRIKHHXLK-UHFFFAOYSA-N	1	0	368.437	1.550	20	30		FDEDRO
C[N@@H+]1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CCC1(C)C	ZINC000872695240	987983559	/nfs/dbraw/zinc/98/35/59/987983559.db2.gz	UYEONDIDQZHIQD-FQEVSTJZSA-N	1	0	369.469	1.699	20	30		FDEDRO
C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3cccc(OCC#N)c3)C2)C1	ZINC000293232306	987998823	/nfs/dbraw/zinc/99/88/23/987998823.db2.gz	DVHARHSERXPVCW-IBGZPJMESA-N	1	0	356.426	1.472	20	30		FDEDRO
COC(=O)c1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)[nH]1	ZINC000293317465	988032075	/nfs/dbraw/zinc/03/20/75/988032075.db2.gz	LUENXPKVHIGDDQ-UHFFFAOYSA-N	1	0	354.410	1.877	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)CC1	ZINC000360554419	988073873	/nfs/dbraw/zinc/07/38/73/988073873.db2.gz	GHDVHWMALDLKRB-QGZVFWFLSA-N	1	0	359.514	1.829	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC[N@@H+](C2CCC2)C1	ZINC000293494847	988089852	/nfs/dbraw/zinc/08/98/52/988089852.db2.gz	VJPDBIVYQRPWQU-OAHLLOKOSA-N	1	0	366.465	1.780	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1	ZINC000872863895	988200288	/nfs/dbraw/zinc/20/02/88/988200288.db2.gz	LKKVVXVZFHJEAR-UHFFFAOYSA-N	1	0	353.507	1.664	20	30		FDEDRO
CO/N=C/C(=O)NC1CCC([NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000366002474	988293867	/nfs/dbraw/zinc/29/38/67/988293867.db2.gz	DSXDFMQWVNPZAM-CPNJWEJPSA-N	1	0	368.478	1.599	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cn2)C[N@@H+]1Cc1ccccc1	ZINC000294096415	988305418	/nfs/dbraw/zinc/30/54/18/988305418.db2.gz	MYFGZNPLWVFDOX-RHSMWYFYSA-N	1	0	363.421	1.671	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccc(CCOC)cc2)C1=O	ZINC000294239750	988353344	/nfs/dbraw/zinc/35/33/44/988353344.db2.gz	UCDUJXDZVKYDJA-MJGOQNOKSA-N	1	0	362.470	1.334	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1	ZINC000361453044	988385406	/nfs/dbraw/zinc/38/54/06/988385406.db2.gz	XJGNSVYLLOOIAP-MRXNPFEDSA-N	1	0	373.428	1.863	20	30		FDEDRO
N#Cc1ncn(C2CCN(C(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)CC2)n1	ZINC000366272109	988592230	/nfs/dbraw/zinc/59/22/30/988592230.db2.gz	UNWADVAYDPVLDG-INIZCTEOSA-N	1	0	357.462	1.513	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1	ZINC000295094118	988604792	/nfs/dbraw/zinc/60/47/92/988604792.db2.gz	VDBOVISCMKGLHL-HNNXBMFYSA-N	1	0	356.470	1.855	20	30		FDEDRO
C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)cc1	ZINC000366300047	988606093	/nfs/dbraw/zinc/60/60/93/988606093.db2.gz	PZPPDZWVKAQHSM-UYAOXDASSA-N	1	0	357.498	1.756	20	30		FDEDRO
C[C@]12C[NH2+]C[C@H]1CN(C(=O)Nc1ccn(-c3cccc(F)c3C#N)n1)C2	ZINC000873317721	988709954	/nfs/dbraw/zinc/70/99/54/988709954.db2.gz	RNUCPLLQXGSFHM-KPZWWZAWSA-N	1	0	354.389	1.956	20	30		FDEDRO
C=CCN1CC[C@H](N2CC(C)(C)N([C@H]3CCN(CC=C)C3=O)C[C@@H]2C)C1=O	ZINC000295849596	988787856	/nfs/dbraw/zinc/78/78/56/988787856.db2.gz	BWFDWCMYEUEEEB-BZSNNMDCSA-N	1	0	374.529	1.345	20	30		FDEDRO
CN1CC[NH+](C[C@@H]2CCCN(C(=O)Cc3cccc(OCC#N)c3)C2)CC1	ZINC000366886809	988835256	/nfs/dbraw/zinc/83/52/56/988835256.db2.gz	PHYFBDKGODIBEN-IBGZPJMESA-N	1	0	370.497	1.617	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC(=O)N[C@@H]2CCOc3ccccc32)CC1	ZINC000367058034	988911416	/nfs/dbraw/zinc/91/14/16/988911416.db2.gz	PIKKFBSHYXPOBA-QGZVFWFLSA-N	1	0	355.438	1.088	20	30		FDEDRO
COc1cc(OC)cc(N2CC[C@H]([N@H+](C)CCC(=O)N(C)CCC#N)C2)c1	ZINC000367108810	988927648	/nfs/dbraw/zinc/92/76/48/988927648.db2.gz	GLEBJCKJNBEVMK-INIZCTEOSA-N	1	0	374.485	1.976	20	30		FDEDRO
COc1cccc(C(=O)NC2CC[NH+](CCC(=O)N(C)CCC#N)CC2)c1	ZINC000367499221	988953933	/nfs/dbraw/zinc/95/39/33/988953933.db2.gz	ZVQGVTKEEZKPDZ-UHFFFAOYSA-N	1	0	372.469	1.652	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C#N	ZINC000873663688	988955634	/nfs/dbraw/zinc/95/56/34/988955634.db2.gz	JHCBZLKLLRBEGE-GASCZTMLSA-N	1	0	372.469	1.990	20	30		FDEDRO
C#CCOCCC(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000367714319	988963356	/nfs/dbraw/zinc/96/33/56/988963356.db2.gz	AHWWBFBUFLVCOQ-FQEVSTJZSA-N	1	0	355.482	1.445	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1	ZINC000368069115	988976919	/nfs/dbraw/zinc/97/69/19/988976919.db2.gz	DUULKSFULJUAEW-KNXALSJPSA-N	1	0	366.412	1.700	20	30		FDEDRO
C=CCOCCCC(=O)NCc1c(C)nn(C)c1N1CCC[N@H+](C)CC1	ZINC000369725145	989121053	/nfs/dbraw/zinc/12/10/53/989121053.db2.gz	GMWKDXKTXSQSOA-UHFFFAOYSA-N	1	0	363.506	1.469	20	30		FDEDRO
COC(=O)c1cccc(OCC[NH+]2CCC(n3cnc(C#N)n3)CC2)c1	ZINC000369731161	989129630	/nfs/dbraw/zinc/12/96/30/989129630.db2.gz	SZNJGMLNLSXRTB-UHFFFAOYSA-N	1	0	355.398	1.652	20	30		FDEDRO
C#Cc1ccc(CNC(=O)NCc2cccnc2N2CC[NH+](C)CC2)cc1	ZINC000296347157	989136805	/nfs/dbraw/zinc/13/68/05/989136805.db2.gz	MWEOKLBPOKQWEY-UHFFFAOYSA-N	1	0	363.465	1.814	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1	ZINC000363383038	989148696	/nfs/dbraw/zinc/14/86/96/989148696.db2.gz	IEUDLAILGMLDCJ-HOTGVXAUSA-N	1	0	364.490	1.501	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCCN(C(=O)c3ccc[nH]3)CC2)CC1	ZINC000363489378	989242147	/nfs/dbraw/zinc/24/21/47/989242147.db2.gz	LITFNPWBSYSMAG-UHFFFAOYSA-N	1	0	373.501	1.913	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1C#N	ZINC000873831401	989274835	/nfs/dbraw/zinc/27/48/35/989274835.db2.gz	AXIONZCWMHSZMM-BBRMVZONSA-N	1	0	356.426	1.448	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1	ZINC000363540030	989280048	/nfs/dbraw/zinc/28/00/48/989280048.db2.gz	RLTSDXGWPWVIRZ-ZWKOTPCHSA-N	1	0	372.469	1.665	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)c1	ZINC000363540247	989280298	/nfs/dbraw/zinc/28/02/98/989280298.db2.gz	UGNXCOJBIUWETA-AYOQOUSVSA-N	1	0	369.465	1.612	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)N1CCC[C@@H]([NH+]2CCCCCC2)C1	ZINC000369935937	989322141	/nfs/dbraw/zinc/32/21/41/989322141.db2.gz	OLWVAHVKDAMMJS-DVSFIDLUSA-N	1	0	374.485	1.770	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc1C#N	ZINC000873891849	989401626	/nfs/dbraw/zinc/40/16/26/989401626.db2.gz	JZCNFXLOOKSVMA-AWEZNQCLSA-N	1	0	370.453	1.838	20	30		FDEDRO
CC[C@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1=O)c1ccc(C#N)cc1	ZINC000370083105	989439073	/nfs/dbraw/zinc/43/90/73/989439073.db2.gz	PMKOBWGSCWDUIX-VQTJNVASSA-N	1	0	370.497	1.922	20	30		FDEDRO
CN(C(=O)C#Cc1ccc2c(c1)OCO2)C1CC[NH+](C2CCOCC2)CC1	ZINC000363874528	989453618	/nfs/dbraw/zinc/45/36/18/989453618.db2.gz	VVJQIBZXAKXJPP-UHFFFAOYSA-N	1	0	370.449	1.869	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)NCCN2CCC([NH+](C)C)CC2)cc1	ZINC000297372805	989522173	/nfs/dbraw/zinc/52/21/73/989522173.db2.gz	PWPIYNDAPCYMGR-UHFFFAOYSA-N	1	0	358.486	1.524	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1	ZINC000297409841	989530054	/nfs/dbraw/zinc/53/00/54/989530054.db2.gz	GVZRDGJFOYSMOA-UHFFFAOYSA-N	1	0	371.481	1.952	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1	ZINC000297562081	989563869	/nfs/dbraw/zinc/56/38/69/989563869.db2.gz	QNTKTSHKUCSZQQ-ROUUACIJSA-N	1	0	362.518	1.204	20	30		FDEDRO
N#Cc1cccc(CNC(=O)CN2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)c1	ZINC000370354543	989682817	/nfs/dbraw/zinc/68/28/17/989682817.db2.gz	DRWRNVNAAPYVRB-OALUTQOASA-N	1	0	356.470	1.096	20	30		FDEDRO
C#CCN(C)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1	ZINC000297937079	989784961	/nfs/dbraw/zinc/78/49/61/989784961.db2.gz	TXGGOTXTVKABFO-MOPGFXCFSA-N	1	0	353.466	1.591	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@]2(CNC(=O)O2)C1)C(C)C	ZINC000364869316	989853900	/nfs/dbraw/zinc/85/39/00/989853900.db2.gz	SBQOSLBYPGXYOZ-VQIMIIECSA-N	1	0	364.490	1.969	20	30		FDEDRO
CC(C)CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1cnn(CC#N)c1	ZINC000874216424	989945896	/nfs/dbraw/zinc/94/58/96/989945896.db2.gz	JKFBXLDWQFEXMQ-UHFFFAOYSA-N	1	0	360.462	1.172	20	30		FDEDRO
CN1C(=O)CS/C1=C\C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000874245028	989981804	/nfs/dbraw/zinc/98/18/04/989981804.db2.gz	CNRIDBPKIKWQIR-ZDLGFXPLSA-N	1	0	358.467	1.495	20	30		FDEDRO
C[C@@H](NC(=O)C(C)(C)C)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000298501857	990134266	/nfs/dbraw/zinc/13/42/66/990134266.db2.gz	NUEYMPFYOXAACH-OAHLLOKOSA-N	1	0	358.486	1.999	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N(C)C[C@@H](C)C#N	ZINC000298589952	990181877	/nfs/dbraw/zinc/18/18/77/990181877.db2.gz	PFGQUXNBLRIQNP-WMZOPIPTSA-N	1	0	371.485	1.513	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cc1C#N	ZINC000874370705	990208420	/nfs/dbraw/zinc/20/84/20/990208420.db2.gz	ZTINZNRDOSPPKP-SJORKVTESA-N	1	0	370.453	1.979	20	30		FDEDRO
CCOC(=O)C1(NC(=O)/C=C/c2ccc(OCC#N)cc2)CC[NH+](C)CC1	ZINC000371366384	990383661	/nfs/dbraw/zinc/38/36/61/990383661.db2.gz	LFRBPCPFKSYZCW-RMKNXTFCSA-N	1	0	371.437	1.746	20	30		FDEDRO
C[NH+](C)CCN1C[C@@H](C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC1=O	ZINC000371414040	990413664	/nfs/dbraw/zinc/41/36/64/990413664.db2.gz	CDLNXUCKJAONIF-IBGZPJMESA-N	1	0	366.465	1.584	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1	ZINC000371474801	990458449	/nfs/dbraw/zinc/45/84/49/990458449.db2.gz	LHHTZXOBIHIPCV-IBGZPJMESA-N	1	0	353.466	1.639	20	30		FDEDRO
C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)c2c[nH]c(C#N)c2)CC1	ZINC000371497561	990478125	/nfs/dbraw/zinc/47/81/25/990478125.db2.gz	PZSZEMGZKVXFHZ-UHFFFAOYSA-N	1	0	351.410	1.916	20	30		FDEDRO
N#CC1(NC(=O)[C@@H]2CCCN(C(N)=O)C2)CC[NH+](Cc2ccccc2)CC1	ZINC000371533514	990508372	/nfs/dbraw/zinc/50/83/72/990508372.db2.gz	HNVDUVFYHZASMM-QGZVFWFLSA-N	1	0	369.469	1.452	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1=O)c1cccc(C#N)c1	ZINC000371582449	990546080	/nfs/dbraw/zinc/54/60/80/990546080.db2.gz	VJOODPBTWOECTJ-VQIMIIECSA-N	1	0	356.470	1.532	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1	ZINC000874847977	990576725	/nfs/dbraw/zinc/57/67/25/990576725.db2.gz	QTDHIEUJIYENHK-SJORKVTESA-N	1	0	363.483	1.460	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)[C@]2([NH+](C)C)CCc3ccccc32)CC1	ZINC000371627010	990580662	/nfs/dbraw/zinc/58/06/62/990580662.db2.gz	HULKQCYRKMHRDO-NRFANRHFSA-N	1	0	353.466	1.378	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1	ZINC000875047444	990789571	/nfs/dbraw/zinc/78/95/71/990789571.db2.gz	FZWAUJKBUCBWAA-SFHVURJKSA-N	1	0	357.454	1.053	20	30		FDEDRO
C[C@@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)n1cnc(C#N)n1	ZINC000409755346	990808404	/nfs/dbraw/zinc/80/84/04/990808404.db2.gz	XPPLOMORPRVQDT-DOTOQJQBSA-N	1	0	352.442	1.691	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1	ZINC000875060897	990811118	/nfs/dbraw/zinc/81/11/18/990811118.db2.gz	GWJQYDNDDAYJLF-YESZJQIVSA-N	1	0	351.491	1.015	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1	ZINC000875113053	990914239	/nfs/dbraw/zinc/91/42/39/990914239.db2.gz	FJCUICJYIDTIMM-FCEWJHQRSA-N	1	0	351.491	1.158	20	30		FDEDRO
N#Cc1ccc(CNC(=O)CN2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cc1	ZINC000372283044	990994090	/nfs/dbraw/zinc/99/40/90/990994090.db2.gz	RBLMDTQVFXARCG-MRXNPFEDSA-N	1	0	368.397	1.616	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1	ZINC000410435228	991347736	/nfs/dbraw/zinc/34/77/36/991347736.db2.gz	PXLQOBLOKUUBMV-GOSISDBHSA-N	1	0	372.469	1.086	20	30		FDEDRO
CN1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3cccc(OCC#N)c3)C2)CC1	ZINC000372859473	991609988	/nfs/dbraw/zinc/60/99/88/991609988.db2.gz	URIYRWGBIZXVJL-QGZVFWFLSA-N	1	0	356.470	1.416	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)Cc2cccc(C#N)c2)C[C@H]1C	ZINC000410735734	991751417	/nfs/dbraw/zinc/75/14/17/991751417.db2.gz	KBTUFRVOJYMTAV-QAPCUYQASA-N	1	0	356.470	1.848	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1	ZINC000875598957	991785960	/nfs/dbraw/zinc/78/59/60/991785960.db2.gz	CKAFGCNGFCOQGM-SFHVURJKSA-N	1	0	359.470	1.251	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1	ZINC000875604324	991793466	/nfs/dbraw/zinc/79/34/66/991793466.db2.gz	LPLYMNOOZMJKBW-GOSISDBHSA-N	1	0	363.502	1.256	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1	ZINC000875623188	991818948	/nfs/dbraw/zinc/81/89/48/991818948.db2.gz	ONRADCNIFNFNEN-UHFFFAOYSA-N	1	0	350.426	1.880	20	30		FDEDRO
COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N(C)C[C@H](C)C#N)CC1	ZINC000410833105	991925625	/nfs/dbraw/zinc/92/56/25/991925625.db2.gz	FXLQUUVTTQGIJX-MRXNPFEDSA-N	1	0	366.506	1.201	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(OC)cc1	ZINC000373178397	991980868	/nfs/dbraw/zinc/98/08/68/991980868.db2.gz	LNSWLSZNUXTUCB-APWZRJJASA-N	1	0	374.485	1.680	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1	ZINC000875766124	991980966	/nfs/dbraw/zinc/98/09/66/991980966.db2.gz	JDGPEPNZWIYPPJ-CQSZACIVSA-N	1	0	372.307	1.925	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)cc1C#N	ZINC000373186744	991987998	/nfs/dbraw/zinc/98/79/98/991987998.db2.gz	QUZZIQDCZSTFTK-PBHICJAKSA-N	1	0	370.453	1.837	20	30		FDEDRO
N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]CCN2CCN(c3ncccn3)CC2)O1	ZINC000373224386	992032545	/nfs/dbraw/zinc/03/25/45/992032545.db2.gz	SXQTUYMUEFZDGV-MKXGPGLRSA-N	1	0	370.501	1.428	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CC[C@](O)(C3CC3)C2)CC1	ZINC000373277771	992096726	/nfs/dbraw/zinc/09/67/26/992096726.db2.gz	IIMKXFWCHZBVJF-VQIMIIECSA-N	1	0	374.510	1.304	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)CC2)CC[N@@H+]1C	ZINC000964847095	1015689247	/nfs/dbraw/zinc/68/92/47/1015689247.db2.gz	YZUJAXOSDIYHPZ-BPQIPLTHSA-N	1	0	371.485	1.728	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000875913691	992185709	/nfs/dbraw/zinc/18/57/09/992185709.db2.gz	GLNXGVXXBODWQO-LJQANCHMSA-N	1	0	373.497	1.741	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000875916706	992188403	/nfs/dbraw/zinc/18/84/03/992188403.db2.gz	MEGVTBBRNMBGNQ-SJLPKXTDSA-N	1	0	350.507	1.225	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000875923676	992197333	/nfs/dbraw/zinc/19/73/33/992197333.db2.gz	CZDGMQPZSZQVMP-ICSRJNTNSA-N	1	0	359.470	1.303	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000875923677	992197998	/nfs/dbraw/zinc/19/79/98/992197998.db2.gz	CZDGMQPZSZQVMP-QUCCMNQESA-N	1	0	359.470	1.303	20	30		FDEDRO
C#CCN(C(=O)NCCC1CC[NH+](C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1	ZINC000876030626	992258454	/nfs/dbraw/zinc/25/84/54/992258454.db2.gz	LDRJWWGYFNMHFR-QGZVFWFLSA-N	1	0	369.531	1.329	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2nccn2-c2ccccc2)CC1	ZINC000411223326	992267987	/nfs/dbraw/zinc/26/79/87/992267987.db2.gz	INNQFGWPQOFABM-UHFFFAOYSA-N	1	0	367.453	1.968	20	30		FDEDRO
C[NH+](C)CC1(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCC1	ZINC000373990937	992552667	/nfs/dbraw/zinc/55/26/67/992552667.db2.gz	SKLPPDTWESHSTL-QGZVFWFLSA-N	1	0	369.469	1.443	20	30		FDEDRO
C#C[C@H]1CC[C@H](NC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)CC1	ZINC000876444160	992610866	/nfs/dbraw/zinc/61/08/66/992610866.db2.gz	YVPNAOINSMPLDY-ULQDDVLXSA-N	1	0	350.507	1.570	20	30		FDEDRO
COC[C@@]1(C[NH+](C)C)COCCN1C(=O)[C@H](C)Cc1ccc(C#N)cc1	ZINC000876475973	992649278	/nfs/dbraw/zinc/64/92/78/992649278.db2.gz	SVRJXJYZZUBQDS-UZLBHIALSA-N	1	0	359.470	1.542	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N(CCC)[C@@H]2CC[NH2+]C2)s1	ZINC000876526321	992685663	/nfs/dbraw/zinc/68/56/63/992685663.db2.gz	WRQCINCRHKVDKU-CYBMUJFWSA-N	1	0	371.528	1.355	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N(CCC)[C@H]2CC[NH2+]C2)s1	ZINC000876526322	992685968	/nfs/dbraw/zinc/68/59/68/992685968.db2.gz	WRQCINCRHKVDKU-ZDUSSCGKSA-N	1	0	371.528	1.355	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000876546352	992695933	/nfs/dbraw/zinc/69/59/33/992695933.db2.gz	ISVYGCUZWWKDOD-AWEZNQCLSA-N	1	0	357.863	1.880	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(C(=O)NCCCOC(C)C)CC1	ZINC000876589062	992723575	/nfs/dbraw/zinc/72/35/75/992723575.db2.gz	IGFWBDSZHNHEDK-OAHLLOKOSA-N	1	0	359.898	1.626	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cn1	ZINC000964933611	1015730142	/nfs/dbraw/zinc/73/01/42/1015730142.db2.gz	LLMFXLXSSKOIRV-ATZDWAIDSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@]2(COC)C[NH2+]CCO2)cc1	ZINC000876607094	992738404	/nfs/dbraw/zinc/73/84/04/992738404.db2.gz	PEQPPAQBYSVSPR-FQEVSTJZSA-N	1	0	373.453	1.444	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1	ZINC000411964370	992741072	/nfs/dbraw/zinc/74/10/72/992741072.db2.gz	IODVGPZRMZHGBU-KKSFZXQISA-N	1	0	368.481	1.847	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1	ZINC000876620452	992746758	/nfs/dbraw/zinc/74/67/58/992746758.db2.gz	LUNDNDVNJCTALX-JKSUJKDBSA-N	1	0	365.861	1.682	20	30		FDEDRO
C[C@H](CCC#N)C[N@H+](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000876630961	992756219	/nfs/dbraw/zinc/75/62/19/992756219.db2.gz	OPMSFCGHGFMMIR-OAHLLOKOSA-N	1	0	352.479	1.937	20	30		FDEDRO
CC(C)C(=O)NC[C@H]1CCCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876633811	992758612	/nfs/dbraw/zinc/75/86/12/992758612.db2.gz	XYUZWTCGFOUKLY-APWZRJJASA-N	1	0	368.481	1.756	20	30		FDEDRO
C=CCc1cc(CNC(=O)[C@]2(COC)C[NH2+]CCO2)cc(OC)c1OC	ZINC000876634683	992759659	/nfs/dbraw/zinc/75/96/59/992759659.db2.gz	YNRIDDPWMSBPLA-LJQANCHMSA-N	1	0	364.442	1.054	20	30		FDEDRO
COc1cccc([C@H](O)CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)c1	ZINC000876637406	992761985	/nfs/dbraw/zinc/76/19/85/992761985.db2.gz	NGLXHTRAQGNPPO-MOPGFXCFSA-N	1	0	351.406	1.603	20	30		FDEDRO
N#Cc1cccc(CN2CCC(NS(=O)(=O)[C@H]3CCC[NH2+]C3)CC2)c1	ZINC000923651568	992776407	/nfs/dbraw/zinc/77/64/07/992776407.db2.gz	HOELQHHIMXQZGJ-SFHVURJKSA-N	1	0	362.499	1.194	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1	ZINC000876721154	992833381	/nfs/dbraw/zinc/83/33/81/992833381.db2.gz	LHWRWICERQVHLD-GFCCVEGCSA-N	1	0	357.241	1.685	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@@H]1CCN(CC(F)(F)F)C1	ZINC000876742873	992861150	/nfs/dbraw/zinc/86/11/50/992861150.db2.gz	XWYQWIFUDFUETI-HIFRSBDPSA-N	1	0	352.360	1.498	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1	ZINC000876779890	992904918	/nfs/dbraw/zinc/90/49/18/992904918.db2.gz	DAJGBUITHIZWLG-OLZOCXBDSA-N	1	0	371.869	1.281	20	30		FDEDRO
Cc1nnc([C@@H]2CCCN(C(=O)[C@H]3[NH2+]CCc4cc(C#N)ccc43)C2)[nH]1	ZINC000876779880	992905126	/nfs/dbraw/zinc/90/51/26/992905126.db2.gz	CXCOVMWPFGWFNN-WBVHZDCISA-N	1	0	350.426	1.578	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCN(Cc2cccnc2)CC1	ZINC000876873483	992943804	/nfs/dbraw/zinc/94/38/04/992943804.db2.gz	ICOZCPBRHHBIEK-HXUWFJFHSA-N	1	0	361.449	1.484	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCc2c(cccc2S(=O)(=O)N(C)C)C1	ZINC000876912446	992964061	/nfs/dbraw/zinc/96/40/61/992964061.db2.gz	UYHJOIIGALXONQ-CQSZACIVSA-N	1	0	371.890	1.292	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NCCC[NH2+]C2CC2)s1	ZINC000876938381	992974463	/nfs/dbraw/zinc/97/44/63/992974463.db2.gz	BZKAMZCUTYJSIH-UHFFFAOYSA-N	1	0	357.501	1.013	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCO[C@H](CC(F)(F)F)C1	ZINC000876978086	992993807	/nfs/dbraw/zinc/99/38/07/992993807.db2.gz	FSWQHCYSVXWZCM-UKRRQHHQSA-N	1	0	353.344	1.925	20	30		FDEDRO
CS(=O)(=O)CCN1CCC([NH2+]Cc2cc(C#N)cnc2Cl)CC1	ZINC000877008074	993006051	/nfs/dbraw/zinc/00/60/51/993006051.db2.gz	FQGFALXAQCSRTP-UHFFFAOYSA-N	1	0	356.879	1.205	20	30		FDEDRO
COC(=O)c1cnc(C2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)s1	ZINC000877011066	993008846	/nfs/dbraw/zinc/00/88/46/993008846.db2.gz	VIHVUXIXUJYUCD-UHFFFAOYSA-N	1	0	361.467	1.639	20	30		FDEDRO
C=CCc1cc(C[N@H+]2CC[C@H](n3cc(C(=O)OC)nn3)C2)cc(OC)c1O	ZINC000375199947	993022992	/nfs/dbraw/zinc/02/29/92/993022992.db2.gz	DYTFXFXFJJVSCJ-HNNXBMFYSA-N	1	0	372.425	1.954	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@@H](n1cncn1)C(F)(F)F	ZINC000877148412	993070919	/nfs/dbraw/zinc/07/09/19/993070919.db2.gz	JWIWHODPKFXPFP-KGLIPLIRSA-N	1	0	364.331	1.256	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCCOc1cncc(Cl)c1	ZINC000877147004	993071207	/nfs/dbraw/zinc/07/12/07/993071207.db2.gz	YRZWNRXSQIGDEB-QGZVFWFLSA-N	1	0	356.813	1.989	20	30		FDEDRO
COC[C@]1(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)CCCC[NH2+]1	ZINC000877215059	993111763	/nfs/dbraw/zinc/11/17/63/993111763.db2.gz	IYQLIFGILOCQKA-IBGZPJMESA-N	1	0	353.426	1.900	20	30		FDEDRO
Cc1ccccc1CN1CCO[C@@H](CNC(=O)C#CC2CC[NH2+]CC2)C1	ZINC000877228884	993119991	/nfs/dbraw/zinc/11/99/91/993119991.db2.gz	FHQHFCVQSNGKJL-FQEVSTJZSA-N	1	0	355.482	1.315	20	30		FDEDRO
Cc1ccccc1CN1CCO[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1	ZINC000877229968	993122069	/nfs/dbraw/zinc/12/20/69/993122069.db2.gz	UOPPJOLTGVDPNP-OALUTQOASA-N	1	0	358.486	1.723	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Nc1ncccc1N1CCOCC1	ZINC000375465324	993162177	/nfs/dbraw/zinc/16/21/77/993162177.db2.gz	IBYQZJYHOGIMOF-UHFFFAOYSA-N	1	0	360.462	1.617	20	30		FDEDRO
N#Cc1cccc(CNC(=O)CN2CCC(OCC[NH+]3CCCC3)CC2)c1	ZINC000466905931	993246822	/nfs/dbraw/zinc/24/68/22/993246822.db2.gz	XEXUAJCPTUPYBP-UHFFFAOYSA-N	1	0	370.497	1.751	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCc2ncnn21	ZINC001095537957	993301019	/nfs/dbraw/zinc/30/10/19/993301019.db2.gz	QVLOUYVYKIKJOQ-QZWWFDLISA-N	1	0	366.469	1.788	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]CCS(=O)(=O)C1CCOCC1	ZINC000877568112	993346449	/nfs/dbraw/zinc/34/64/49/993346449.db2.gz	YAWYHKCEPUTJKO-UHFFFAOYSA-N	1	0	351.472	1.308	20	30		FDEDRO
COCC(=O)NC1CC[NH+](CC[C@@](C#N)(C(C)=O)c2ccccc2)CC1	ZINC000877962776	993575952	/nfs/dbraw/zinc/57/59/52/993575952.db2.gz	WMTRPIPBVXSYDK-HXUWFJFHSA-N	1	0	357.454	1.654	20	30		FDEDRO
C=C(C)COc1cc(C[NH2+]C2CCN(CC(=O)NC)CC2)ccc1OC	ZINC000127275470	994100557	/nfs/dbraw/zinc/10/05/57/994100557.db2.gz	BBBBRNUEECPAPK-UHFFFAOYSA-N	1	0	361.486	1.950	20	30		FDEDRO
C#CCN(C(=O)NC[C@@H]1CC(=O)c2ccccc2O1)C1CC[NH+](C)CC1	ZINC000923923004	994269692	/nfs/dbraw/zinc/26/96/92/994269692.db2.gz	YLGMWFBEWIYHEL-INIZCTEOSA-N	1	0	355.438	1.759	20	30		FDEDRO
C#CC[N@@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)C1CSC1	ZINC000878911512	994342672	/nfs/dbraw/zinc/34/26/72/994342672.db2.gz	HPIMJRPMNCDZKI-UHFFFAOYSA-N	1	0	359.495	1.902	20	30		FDEDRO
C#CC[NH+]1CCC(c2nc(-c3cnn(-c4nccs4)c3N)no2)CC1	ZINC000924305540	994565980	/nfs/dbraw/zinc/56/59/80/994565980.db2.gz	FNZGBAZFJAIVIU-UHFFFAOYSA-N	1	0	355.427	1.774	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CN1C(=O)N[C@H]([C@@H](O)c2cccnc2)C1=O)C(C)C	ZINC000924485412	994734467	/nfs/dbraw/zinc/73/44/67/994734467.db2.gz	NDBKOJNCCPZMHT-KURKYZTESA-N	1	0	372.469	1.734	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1ccccc1=O)C2	ZINC001110895074	994874030	/nfs/dbraw/zinc/87/40/30/994874030.db2.gz	RIVIKZWTAGLWPY-KURKYZTESA-N	1	0	359.470	1.553	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)CCc2cccc(C#N)c2)CC1	ZINC000879432737	994909682	/nfs/dbraw/zinc/90/96/82/994909682.db2.gz	FQZHUCCMEQQKCZ-HXUWFJFHSA-N	1	0	367.497	1.725	20	30		FDEDRO
COC(=O)C1CCN(C(=O)[C@@H](C)[N@H+](C)CCc2cccc(C#N)c2)CC1	ZINC000879433474	994910768	/nfs/dbraw/zinc/91/07/68/994910768.db2.gz	UBIZQXSYJRIBOI-OAHLLOKOSA-N	1	0	357.454	1.833	20	30		FDEDRO
CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+](C)CCc2cccc(C#N)c2)CC1	ZINC000879434802	994911587	/nfs/dbraw/zinc/91/15/87/994911587.db2.gz	YSXKIVHBLWFRJA-INIZCTEOSA-N	1	0	372.469	1.722	20	30		FDEDRO
CN(C)c1cc[nH+]c(CNC(=O)N2CCN(c3cnccc3C#N)CC2)c1	ZINC000924673651	994924245	/nfs/dbraw/zinc/92/42/45/994924245.db2.gz	WWWJYGBPJVUWED-UHFFFAOYSA-N	1	0	365.441	1.446	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@H+]2Cc3cccnc3N3CCC[C@@H]3C2)CCOCC1	ZINC000879500915	994965140	/nfs/dbraw/zinc/96/51/40/994965140.db2.gz	CWGDKEZRYJJKAY-QZTJIDSGSA-N	1	0	356.470	1.937	20	30		FDEDRO
COc1ccc([C@@H]2CN(C[C@@H](O)COc3ccc(C#N)cc3)CC[NH2+]2)cc1	ZINC000879519191	994972651	/nfs/dbraw/zinc/97/26/51/994972651.db2.gz	OOVWMRARJYOERJ-NQIIRXRSSA-N	1	0	367.449	1.953	20	30		FDEDRO
COc1ccc([C@@H]2CN(CC(=O)NCc3cccc(C#N)c3)CC[NH2+]2)cc1	ZINC000879520131	994973582	/nfs/dbraw/zinc/97/35/82/994973582.db2.gz	BPHLVPLLPVONQB-FQEVSTJZSA-N	1	0	364.449	1.830	20	30		FDEDRO
CN1C(=O)[C@H]2C[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C[C@H]2C1=O	ZINC000879533510	994986029	/nfs/dbraw/zinc/98/60/29/994986029.db2.gz	HXZWBTBBWBTVFM-OKILXGFUSA-N	1	0	352.312	1.483	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)CC[C@H]21	ZINC000879578746	995036916	/nfs/dbraw/zinc/03/69/16/995036916.db2.gz	VSGPSTYALPETQW-MAUKXSAKSA-N	1	0	364.453	1.708	20	30		FDEDRO
N#Cc1ccc(N2CC[NH+](CCc3nnnn3-c3ccccc3)CC2)cc1	ZINC000879585426	995050330	/nfs/dbraw/zinc/05/03/30/995050330.db2.gz	DZQNIOXZIGLAKE-UHFFFAOYSA-N	1	0	359.437	1.899	20	30		FDEDRO
COC(=O)/C(C)=C/CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000925034700	995252625	/nfs/dbraw/zinc/25/26/25/995252625.db2.gz	FUCSSSXRHVQNJJ-LZYBPNLTSA-N	1	0	370.453	1.895	20	30		FDEDRO
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12	ZINC000925168688	995362649	/nfs/dbraw/zinc/36/26/49/995362649.db2.gz	XINQRJYPGWKBOK-KURKYZTESA-N	1	0	374.510	1.813	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H](C(=O)N[C@@H]3CCC[C@@H](O)C3)C2)cc1	ZINC000879973861	995497579	/nfs/dbraw/zinc/49/75/79/995497579.db2.gz	DQVKFKSBBJAOAB-UAFMIMERSA-N	1	0	371.481	1.723	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](N3CCC[C@@H]([NH2+]C4CCOCC4)C3)C2=O)cc1	ZINC000880205613	995721401	/nfs/dbraw/zinc/72/14/01/995721401.db2.gz	QOXDVJBAMBDFLC-UYAOXDASSA-N	1	0	368.481	1.897	20	30		FDEDRO
N#CC1(c2ccccc2)CCC([NH2+]CC[C@H]2CNCCS2(=O)=O)CC1	ZINC000925791403	995774451	/nfs/dbraw/zinc/77/44/51/995774451.db2.gz	GMMQSNNIPWKASV-XBMUEBEBSA-N	1	0	361.511	1.757	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)Cc1cccc(OCC#N)c1)C2	ZINC000926167316	995953716	/nfs/dbraw/zinc/95/37/16/995953716.db2.gz	ZLKGHIHKDOLTAX-RMVXJAJNSA-N	1	0	371.481	1.727	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)Cc1cccc(OCC#N)c1)C2	ZINC000926167319	995953934	/nfs/dbraw/zinc/95/39/34/995953934.db2.gz	ZLKGHIHKDOLTAX-VURPSTOHSA-N	1	0	371.481	1.727	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)[C@H](C)Oc1ccccc1C#N)C2	ZINC000926182601	995964360	/nfs/dbraw/zinc/96/43/60/995964360.db2.gz	ICZUPSBORQZEKD-CUEXMPOTSA-N	1	0	371.481	1.921	20	30		FDEDRO
N#Cc1cccc([C@@H](NC(=O)NCCN2CCC([NH3+])CC2)C(F)(F)F)c1	ZINC000926190132	995969353	/nfs/dbraw/zinc/96/93/53/995969353.db2.gz	TZDXBRJRKUJKKT-OAHLLOKOSA-N	1	0	369.391	1.884	20	30		FDEDRO
CON=Cc1ccc(C(=O)N[C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1	ZINC000926190683	995970011	/nfs/dbraw/zinc/97/00/11/995970011.db2.gz	YXQZSDASSCURRI-SOAMZJECSA-N	1	0	359.470	1.876	20	30		FDEDRO
CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)CC3(C#N)CCOCC3)C2)[C@@H]1C(C)C	ZINC000926239802	995988539	/nfs/dbraw/zinc/98/85/39/995988539.db2.gz	VVIXIPLTYPMJBJ-HBXLWWENSA-N	1	0	363.502	1.683	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(S(=O)(=O)CC(N)=O)cc1	ZINC000926344761	996073079	/nfs/dbraw/zinc/07/30/79/996073079.db2.gz	XXABLVWZAQHXLJ-SIIHOXLZSA-N	1	0	366.483	1.577	20	30		FDEDRO
C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1COC[C@@H]1O	ZINC000926779155	996301037	/nfs/dbraw/zinc/30/10/37/996301037.db2.gz	QJIDVHBFDDAVEC-KFWWJZLASA-N	1	0	353.463	1.655	20	30		FDEDRO
CCO[C@H](CNC(=O)N1CCN(c2ccc(C#N)cc2)CC1)C[NH+](C)C	ZINC000926849146	996338767	/nfs/dbraw/zinc/33/87/67/996338767.db2.gz	HNLZJFUXFJGZMM-GOSISDBHSA-N	1	0	359.474	1.357	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)NCC(=O)N(C)Cc1ccccc1)c1ccc(C#N)cc1	ZINC000926965767	996378142	/nfs/dbraw/zinc/37/81/42/996378142.db2.gz	VLCFKBFBWSZQGA-INIZCTEOSA-N	1	0	364.449	1.984	20	30		FDEDRO
C[C@H]([NH2+]CCNc1ccc(C#N)cn1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000927164182	996474187	/nfs/dbraw/zinc/47/41/87/996474187.db2.gz	INZSWFLROAVTRX-AWEZNQCLSA-N	1	0	373.482	1.966	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F	ZINC000887034310	996846779	/nfs/dbraw/zinc/84/67/79/996846779.db2.gz	QFQMYZRKPPWGOJ-NSHDSACASA-N	1	0	369.343	1.137	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1C[C@@H]2CC[C@H]1[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12	ZINC000887110460	996938110	/nfs/dbraw/zinc/93/81/10/996938110.db2.gz	PZGMUHDJKWPZIF-PBWTXFEYSA-N	1	0	367.449	1.184	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N2CCN(Cc3ccccc3C)CC2)CCOCC1	ZINC000887124386	996954136	/nfs/dbraw/zinc/95/41/36/996954136.db2.gz	BHABMLUDJJUUND-UHFFFAOYSA-N	1	0	369.509	1.801	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)NCc2cccc(C(=O)NC3CC3)c2)CCOCC1	ZINC000887124591	996955294	/nfs/dbraw/zinc/95/52/94/996955294.db2.gz	KTEMOVNNWYKMHL-UHFFFAOYSA-N	1	0	369.465	1.357	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NCc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000264075556	997396737	/nfs/dbraw/zinc/39/67/37/997396737.db2.gz	FNYZZENLVJBFQU-SOUVJXGZSA-N	1	0	362.474	1.375	20	30		FDEDRO
CN1CCCc2cc(CNC(=[NH2+])N3CCN(c4ncccn4)CC3)ccc21	ZINC000264136726	997411341	/nfs/dbraw/zinc/41/13/41/997411341.db2.gz	ZVXCXMCOKGBJHE-UHFFFAOYSA-N	1	0	365.485	1.496	20	30		FDEDRO
C=C(C)CNC(=[NH2+])NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1	ZINC000264143590	997413225	/nfs/dbraw/zinc/41/32/25/997413225.db2.gz	XFOCUSVACIUOQJ-INIZCTEOSA-N	1	0	362.474	1.558	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(C(=O)OC)ccc2C)CC1	ZINC000264399205	997494549	/nfs/dbraw/zinc/49/45/49/997494549.db2.gz	DOHKAUWNTKNVTH-UHFFFAOYSA-N	1	0	373.453	1.877	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCCNC(=O)c2ccc(C)c(F)c2)CC1	ZINC000264448137	997513889	/nfs/dbraw/zinc/51/38/89/997513889.db2.gz	YBVNBUUDIAKFMC-UHFFFAOYSA-N	1	0	362.449	1.814	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)/C=C/c2ccc(OCC#N)c(OC)c2)C1	ZINC000264522194	997529504	/nfs/dbraw/zinc/52/95/04/997529504.db2.gz	MWEZMBFJJIEZFD-NBUZRDOWSA-N	1	0	359.426	1.448	20	30		FDEDRO
CCN1CCC([NH+]2CCC(C(=O)NCc3nc(C#N)cs3)CC2)CC1	ZINC000887978685	997991654	/nfs/dbraw/zinc/99/16/54/997991654.db2.gz	DYXDLTHPSPAZCO-UHFFFAOYSA-N	1	0	361.515	1.827	20	30		FDEDRO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@@H]1CCCc2cc(C#N)ccc21	ZINC000889252470	998246626	/nfs/dbraw/zinc/24/66/26/998246626.db2.gz	UNTRRYKHXQNZNI-RDTXWAMCSA-N	1	0	369.469	1.697	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)N3CCN(CCC#N)CC3)cc2)CC1	ZINC000889659283	998507766	/nfs/dbraw/zinc/50/77/66/998507766.db2.gz	TZEWOZMENPPTSI-UHFFFAOYSA-N	1	0	370.501	1.179	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(CC#N)n1)c1cccs1	ZINC000889762958	998617114	/nfs/dbraw/zinc/61/71/14/998617114.db2.gz	RLVOQBKENJJGBU-ZDUSSCGKSA-N	1	0	357.439	1.567	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)n1	ZINC000889838283	998698274	/nfs/dbraw/zinc/69/82/74/998698274.db2.gz	AKOIBUQHDWJUMW-UHFFFAOYSA-N	1	0	355.442	1.563	20	30		FDEDRO
C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1cccc(CC#N)n1	ZINC000889873262	998715499	/nfs/dbraw/zinc/71/54/99/998715499.db2.gz	YOFYOZDUUYAMNN-QLFBSQMISA-N	1	0	357.458	1.569	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1cccc(CC#N)n1)[N@H+](C)Cc1ccccc1	ZINC000889911511	998725809	/nfs/dbraw/zinc/72/58/09/998725809.db2.gz	JSRRNCBEUAACTA-OAHLLOKOSA-N	1	0	365.437	1.723	20	30		FDEDRO
C#CCCN(CCOC)C(=O)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1	ZINC000826662818	998731057	/nfs/dbraw/zinc/73/10/57/998731057.db2.gz	PQNLPLFCKAQOEB-IBGZPJMESA-N	1	0	371.481	1.438	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2ccc(C3CC3)c(C#N)c2)CCSC1	ZINC000889981752	998757654	/nfs/dbraw/zinc/75/76/54/998757654.db2.gz	JLSDPFSMCZNQMP-IBGZPJMESA-N	1	0	372.494	1.928	20	30		FDEDRO
Cn1ccc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(F)c(C#N)c2)n1	ZINC001095402993	998981686	/nfs/dbraw/zinc/98/16/86/998981686.db2.gz	LQMISPDRDLSGLV-NEWSRXKRSA-N	1	0	367.428	1.895	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCNC(=O)NC(C)C)cc1	ZINC001110884070	999111975	/nfs/dbraw/zinc/11/19/75/999111975.db2.gz	USTPHXCKIHFWNP-QRVBRYPASA-N	1	0	368.481	1.711	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1	ZINC000266521836	999180198	/nfs/dbraw/zinc/18/01/98/999180198.db2.gz	ARCIWMNKBGDPGV-MRXNPFEDSA-N	1	0	374.441	1.145	20	30		FDEDRO
C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1	ZINC000267353968	999318717	/nfs/dbraw/zinc/31/87/17/999318717.db2.gz	IISPPRBMIIQBSM-SJORKVTESA-N	1	0	356.474	1.658	20	30		FDEDRO
C[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)Oc1ccc(F)cc1	ZINC000267435136	999334344	/nfs/dbraw/zinc/33/43/44/999334344.db2.gz	NSIFZRZSWXANDX-CQSZACIVSA-N	1	0	358.421	1.520	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCCOc2ncccc2F)cc1OC	ZINC000269497394	999469151	/nfs/dbraw/zinc/46/91/51/999469151.db2.gz	VTBHIJPMVQESBX-UHFFFAOYSA-N	1	0	362.405	1.764	20	30		FDEDRO
N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCC[C@@H]([NH+]3CCCC3)CC1)CC2	ZINC000270183030	999522303	/nfs/dbraw/zinc/52/23/03/999522303.db2.gz	MEKLWOCDHKIURA-GOSISDBHSA-N	1	0	366.465	1.924	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCc3ccc(C#N)cc32)C1	ZINC000270239963	999529055	/nfs/dbraw/zinc/52/90/55/999529055.db2.gz	VONISKIKBKCZEA-QGZVFWFLSA-N	1	0	368.481	1.932	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNC(=O)C#Cc2ccc3c(c2)OCO3)ccn1	ZINC000270615179	999586050	/nfs/dbraw/zinc/58/60/50/999586050.db2.gz	IZBDJTDFWRNVDH-UHFFFAOYSA-N	1	0	367.405	1.419	20	30		FDEDRO
C[C@H](CN1CCOCC1)[N@H+](CCC(=O)N(C)CCC#N)Cc1ccccc1	ZINC000270617677	999586583	/nfs/dbraw/zinc/58/65/83/999586583.db2.gz	CNUWYMQPHZWPOJ-LJQANCHMSA-N	1	0	372.513	1.971	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(C#N)cc1	ZINC000284005403	999767930	/nfs/dbraw/zinc/76/79/30/999767930.db2.gz	NGWCHDKHDPTGJT-WBVHZDCISA-N	1	0	354.454	1.680	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)NCc1ccc(OC)cn1)C(C)C	ZINC000284100414	999776513	/nfs/dbraw/zinc/77/65/13/999776513.db2.gz	POUMKPOZVGDSSF-SFHVURJKSA-N	1	0	374.485	1.521	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000284108868	999777116	/nfs/dbraw/zinc/77/71/16/999777116.db2.gz	CHVYBAQOIATLHU-IRXDYDNUSA-N	1	0	357.454	1.611	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)NC1CC[NH+](C(C)C)CC1	ZINC000284984400	999890766	/nfs/dbraw/zinc/89/07/66/999890766.db2.gz	SLAFRCXYVKRPIG-UHFFFAOYSA-N	1	0	359.470	1.857	20	30		FDEDRO
COC(=O)Nc1cccc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)c1	ZINC000285075413	999900373	/nfs/dbraw/zinc/90/03/73/999900373.db2.gz	MVXCVYWFAFHESN-UHFFFAOYSA-N	1	0	369.429	1.292	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc([C@@H](C)O)cc2)CC1	ZINC000285210403	999904615	/nfs/dbraw/zinc/90/46/15/999904615.db2.gz	RIGZGFIGLQSPIT-OAHLLOKOSA-N	1	0	359.470	1.513	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cc(C#N)ccc2NC)CC1=O	ZINC000285868681	999921731	/nfs/dbraw/zinc/92/17/31/999921731.db2.gz	HWSHYTQXSDGLBX-CVEARBPZSA-N	1	0	369.469	1.871	20	30		FDEDRO
CC(C)[NH+]1CCN(c2ccc(C(=O)NCCn3cnc(C#N)n3)cc2)CC1	ZINC000286517533	999945238	/nfs/dbraw/zinc/94/52/38/999945238.db2.gz	BOBGJEKYPUUXSI-UHFFFAOYSA-N	1	0	367.457	1.110	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccnc(O[C@@H](C)CC)c2)CC1	ZINC000286708490	999946939	/nfs/dbraw/zinc/94/69/39/999946939.db2.gz	QGEQLLOAFSQAGK-HNNXBMFYSA-N	1	0	374.485	1.642	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)C(=O)NCCCCC#N)CC[N@@H+]1Cc1ccccc1	ZINC000286751050	999948828	/nfs/dbraw/zinc/94/88/28/999948828.db2.gz	ROLFYXRCMUREMB-FUHWJXTLSA-N	1	0	356.470	1.966	20	30		FDEDRO
C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1	ZINC000286814318	999951154	/nfs/dbraw/zinc/95/11/54/999951154.db2.gz	XBADINHGWPOOFF-QUCCMNQESA-N	1	0	356.514	1.804	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1	ZINC000287333074	999956575	/nfs/dbraw/zinc/95/65/75/999956575.db2.gz	MBJWGNAFTBAQNP-UHFFFAOYSA-N	1	0	359.470	1.810	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1	ZINC000287384207	999957207	/nfs/dbraw/zinc/95/72/07/999957207.db2.gz	OSPOJPMZLYGXBO-MRXNPFEDSA-N	1	0	359.470	1.668	20	30		FDEDRO
CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H](C)CC#N)c1	ZINC000287821804	999963439	/nfs/dbraw/zinc/96/34/39/999963439.db2.gz	PPLKOHNPPXZQSU-ZDUSSCGKSA-N	1	0	359.430	1.324	20	30		FDEDRO
C[C@@H](C[NH+](C)C)NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000287948504	999975513	/nfs/dbraw/zinc/97/55/13/999975513.db2.gz	GODUNNZNCUNJSL-ZDUSSCGKSA-N	1	0	372.429	1.588	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)C(C)(C)C	ZINC000288229631	999998980	/nfs/dbraw/zinc/99/89/80/999998980.db2.gz	AJQDIMMBTNRZTN-SFHVURJKSA-N	1	0	370.497	1.537	20	30		FDEDRO
C[NH+](C)CCCOc1cnccc1CNC(=O)COc1ccc(C#N)cc1	ZINC000288659720	1000035966	/nfs/dbraw/zinc/03/59/66/1000035966.db2.gz	GGYQDINCWNHWAA-UHFFFAOYSA-N	1	0	368.437	1.979	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1	ZINC000289394738	1000096038	/nfs/dbraw/zinc/09/60/38/1000096038.db2.gz	MIXKGFJJUGEGHU-UHFFFAOYSA-N	1	0	373.497	1.818	20	30		FDEDRO
COc1cc(C[NH+]2CCC(C(=O)N3CCN(C)CC3)CC2)ccc1C#N	ZINC000289972906	1000123258	/nfs/dbraw/zinc/12/32/58/1000123258.db2.gz	ZFVYRGDEVITZNB-UHFFFAOYSA-N	1	0	356.470	1.553	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCNC(=O)c1cc(-c2cccc(C#N)c2)no1	ZINC000290220149	1000127171	/nfs/dbraw/zinc/12/71/71/1000127171.db2.gz	VALTXTYZTIRMLU-UHFFFAOYSA-N	1	0	355.442	1.827	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N(C)CCC[N@@H+](C)CCN(C)C	ZINC000291000104	1000165134	/nfs/dbraw/zinc/16/51/34/1000165134.db2.gz	LXBKXWRVQKPOCT-UHFFFAOYSA-N	1	0	360.502	1.724	20	30		FDEDRO
C=C[C@@H](CO)NC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1	ZINC000291271114	1000178920	/nfs/dbraw/zinc/17/89/20/1000178920.db2.gz	MZFCPTJVYLTIGA-HOCLYGCPSA-N	1	0	364.465	1.875	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)NCc3cc(N(C)C)cc[nH+]3)CC2)o1	ZINC000927698701	1000989090	/nfs/dbraw/zinc/98/90/90/1000989090.db2.gz	BKFRVTKHWHLGJX-UHFFFAOYSA-N	1	0	368.441	1.849	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)cc21	ZINC000927803220	1001063138	/nfs/dbraw/zinc/06/31/38/1001063138.db2.gz	NYQIMRDCCPHTTI-NUEKZKHPSA-N	1	0	367.453	1.665	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1	ZINC000927850004	1001117531	/nfs/dbraw/zinc/11/75/31/1001117531.db2.gz	YDPDMKUCHKQCLX-NEPJUHHUSA-N	1	0	354.332	1.543	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c1	ZINC000927850143	1001118281	/nfs/dbraw/zinc/11/82/81/1001118281.db2.gz	ZNFAKXPWTRRUBO-KGLIPLIRSA-N	1	0	369.343	1.375	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)NC[C@]34CCC[C@H]3[NH2+]CC4)cc21	ZINC000927869017	1001154478	/nfs/dbraw/zinc/15/44/78/1001154478.db2.gz	PFUYXKIMEPQIGA-YLJYHZDGSA-N	1	0	367.453	1.809	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CC[C@@H](C[NH3+])[C@@H](C)C3)cc21	ZINC000927894100	1001197407	/nfs/dbraw/zinc/19/74/07/1001197407.db2.gz	ZYFHULLMWJGSCP-KBPBESRZSA-N	1	0	355.442	1.604	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)ccc1F	ZINC000928456673	1001532565	/nfs/dbraw/zinc/53/25/65/1001532565.db2.gz	PRRZJJKBJNQCAP-BXUZGUMPSA-N	1	0	355.435	1.112	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CCc2ccccc2N2CCOCC2)CC1	ZINC000928651181	1001608342	/nfs/dbraw/zinc/60/83/42/1001608342.db2.gz	QELVWAICCVPUSJ-UHFFFAOYSA-N	1	0	355.482	1.670	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)CC1	ZINC000928654696	1001611176	/nfs/dbraw/zinc/61/11/76/1001611176.db2.gz	AFZXNKMYGBENFQ-KRWDZBQOSA-N	1	0	354.454	1.148	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1	ZINC000928655247	1001611255	/nfs/dbraw/zinc/61/12/55/1001611255.db2.gz	SKGJSAUGANSJGW-MRXNPFEDSA-N	1	0	365.474	1.226	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CCNC(=O)N2CCc3ccccc3C2)CC1	ZINC000928654924	1001611263	/nfs/dbraw/zinc/61/12/63/1001611263.db2.gz	HWTBXCLCHCBPRV-UHFFFAOYSA-N	1	0	368.481	1.358	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1	ZINC000928656771	1001612486	/nfs/dbraw/zinc/61/24/86/1001612486.db2.gz	GGKGPGYJQZXLTA-IBGZPJMESA-N	1	0	367.493	1.682	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H](Cc2ccc(F)cc2)n2nnnc2C)CC1	ZINC000928657197	1001612517	/nfs/dbraw/zinc/61/25/17/1001612517.db2.gz	RKXCEQZIXVFAIA-SFHVURJKSA-N	1	0	370.432	1.118	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CCc2c(C)nc3cc(C)nn3c2C)CC1	ZINC000928658184	1001613952	/nfs/dbraw/zinc/61/39/52/1001613952.db2.gz	DHHOBYZTYBWTLN-UHFFFAOYSA-N	1	0	353.470	1.801	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H](CCSC)NC(=O)c2ccco2)CC1	ZINC000928660910	1001615708	/nfs/dbraw/zinc/61/57/08/1001615708.db2.gz	JQPVAQPAKZSFOH-OAHLLOKOSA-N	1	0	363.483	1.345	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(OCC)cc3)C2)CC1	ZINC000928660367	1001615724	/nfs/dbraw/zinc/61/57/24/1001615724.db2.gz	AWESGQULFXKJIC-MRXNPFEDSA-N	1	0	369.465	1.652	20	30		FDEDRO
C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)C1	ZINC000928715477	1001634044	/nfs/dbraw/zinc/63/40/44/1001634044.db2.gz	DSTRLCHRBGJOMR-QFBILLFUSA-N	1	0	357.458	1.203	20	30		FDEDRO
C[N@@H+]1CCC[C@](O)(CC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)C1	ZINC000928715476	1001634186	/nfs/dbraw/zinc/63/41/86/1001634186.db2.gz	DSTRLCHRBGJOMR-LPHOPBHVSA-N	1	0	357.458	1.203	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H](c1ccccc1)C1CC1)C1CC[NH+](C)CC1	ZINC000929089881	1001744221	/nfs/dbraw/zinc/74/42/21/1001744221.db2.gz	UGWNULGLDQILAN-LJQANCHMSA-N	1	0	353.466	1.810	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1	ZINC000948205413	1002176424	/nfs/dbraw/zinc/17/64/24/1002176424.db2.gz	XDFHJOMCVCNCSW-CZUORRHYSA-N	1	0	357.458	1.337	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)CC1	ZINC000948448369	1002348070	/nfs/dbraw/zinc/34/80/70/1002348070.db2.gz	ANTXCNWUDZYMMF-YQVWRLOYSA-N	1	0	358.486	1.927	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1C#N	ZINC000929696028	1002355659	/nfs/dbraw/zinc/35/56/59/1002355659.db2.gz	UDYMFWRZNDBFOQ-GDBMZVCRSA-N	1	0	356.470	1.720	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(NC(=O)[C@H]2CCCC[N@H+]2CC)CC1	ZINC000948477103	1002385620	/nfs/dbraw/zinc/38/56/20/1002385620.db2.gz	PKUZYORKKGZDJR-KURKYZTESA-N	1	0	363.502	1.559	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2	ZINC000948570424	1002459245	/nfs/dbraw/zinc/45/92/45/1002459245.db2.gz	PLWODXDTSJVEHU-RHSMWYFYSA-N	1	0	369.469	1.339	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC000948570518	1002460440	/nfs/dbraw/zinc/46/04/40/1002460440.db2.gz	URRZAVHDSBATPJ-ZTFGCOKTSA-N	1	0	371.485	1.583	20	30		FDEDRO
CCN(C[C@H](C)C#N)C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000779221812	1002737841	/nfs/dbraw/zinc/73/78/41/1002737841.db2.gz	PJXISXZGWNCFKS-MJGOQNOKSA-N	1	0	360.502	1.660	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1	ZINC000190018689	1002748510	/nfs/dbraw/zinc/74/85/10/1002748510.db2.gz	NNOVDFTVQBSCCU-MRXNPFEDSA-N	1	0	373.428	1.863	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000948965341	1002887063	/nfs/dbraw/zinc/88/70/63/1002887063.db2.gz	CVEBZPNJSLJEOM-HKUYNNGSSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000948966158	1002887549	/nfs/dbraw/zinc/88/75/49/1002887549.db2.gz	VJNHUSFWAINOML-MSOLQXFVSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=CCCCNC(=O)C(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1	ZINC000930319471	1003022538	/nfs/dbraw/zinc/02/25/38/1003022538.db2.gz	PCQNDRNGLUJNRD-UHFFFAOYSA-N	1	0	373.497	1.866	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(CC[NH+](C[C@@H](CC)OC)CC2)C1	ZINC000949194369	1003082087	/nfs/dbraw/zinc/08/20/87/1003082087.db2.gz	SENRUEQTSVEONU-KURKYZTESA-N	1	0	366.502	1.696	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C	ZINC000949313540	1003217014	/nfs/dbraw/zinc/21/70/14/1003217014.db2.gz	BQMWWHGVGAJGPF-KBAYOESNSA-N	1	0	370.497	1.593	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H]1C[C@@H](OC(C)C)C1(C)C)C1CC[NH+](C)CC1	ZINC000930516686	1003229011	/nfs/dbraw/zinc/22/90/11/1003229011.db2.gz	YLVJICDNOLGOMK-IAGOWNOFSA-N	1	0	363.502	1.251	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(CC1)C[N@H+](CCOC)CCO2	ZINC000949489507	1003391293	/nfs/dbraw/zinc/39/12/93/1003391293.db2.gz	HPLIJYWMDUWBOR-ROUUACIJSA-N	1	0	366.502	1.698	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1	ZINC000930717026	1003428596	/nfs/dbraw/zinc/42/85/96/1003428596.db2.gz	DWSNMOMDCPTNNC-OAHLLOKOSA-N	1	0	360.483	1.711	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)cc1C#N	ZINC000930742226	1003458224	/nfs/dbraw/zinc/45/82/24/1003458224.db2.gz	DGMWMFSPOZIVHD-UHFFFAOYSA-N	1	0	354.454	1.474	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)[C@@H](O)C2)C1	ZINC000966306032	1016776672	/nfs/dbraw/zinc/77/66/72/1016776672.db2.gz	OEKBURUYGZGELE-BBWFWOEESA-N	1	0	363.502	1.009	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O	ZINC000777940989	1003542724	/nfs/dbraw/zinc/54/27/24/1003542724.db2.gz	QNGRERHRZGJJBZ-AWEZNQCLSA-N	1	0	354.237	1.828	20	30		FDEDRO
N#CC[C@@]1(O)CC[N@H+](C[C@@]2(O)CCCN(C(=O)OCc3ccccc3)C2)C1	ZINC000930819442	1003545812	/nfs/dbraw/zinc/54/58/12/1003545812.db2.gz	WHRNQMAHDCENQE-UXHICEINSA-N	1	0	373.453	1.501	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[N@@H+](CCOC)C[C@H](O)C(F)(F)F)cc1	ZINC000930883244	1003632395	/nfs/dbraw/zinc/63/23/95/1003632395.db2.gz	CPZHYFOEQCJOGG-HNNXBMFYSA-N	1	0	358.360	1.868	20	30		FDEDRO
CC1([NH+]2CCC2)CCC(NC(=O)C(=O)NCc2ccc(CC#N)cc2)CC1	ZINC000930905656	1003650668	/nfs/dbraw/zinc/65/06/68/1003650668.db2.gz	YBLGGEPPKCDQBT-UHFFFAOYSA-N	1	0	368.481	1.892	20	30		FDEDRO
C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O	ZINC000930910708	1003654934	/nfs/dbraw/zinc/65/49/34/1003654934.db2.gz	HJZILTXRWDDEPZ-KFWWJZLASA-N	1	0	353.422	1.260	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOC[C@@H]2CCCO2)nc1	ZINC001111293213	1003683452	/nfs/dbraw/zinc/68/34/52/1003683452.db2.gz	WECLVWZAWUVODN-BWPNAZKDSA-N	1	0	369.465	1.594	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H](C)C1CCC(F)(F)CC1)C1CC[NH+](C)CC1	ZINC000930952192	1003703276	/nfs/dbraw/zinc/70/32/76/1003703276.db2.gz	BFVIIQNQONQTMQ-AWEZNQCLSA-N	1	0	369.456	1.873	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](O)COCC(C)C)nc1	ZINC001111295446	1003723033	/nfs/dbraw/zinc/72/30/33/1003723033.db2.gz	PTROKRPMBYNNBZ-LFGUQSLTSA-N	1	0	371.481	1.432	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCN(C2CC2)C1=O	ZINC000930979669	1003736948	/nfs/dbraw/zinc/73/69/48/1003736948.db2.gz	NWPPJCXJDZNSAO-LJQANCHMSA-N	1	0	368.481	1.849	20	30		FDEDRO
COCCN1C(=O)CCc2cc(NC(=O)NCC#CC[NH+](C)C)ccc21	ZINC000930985950	1003743670	/nfs/dbraw/zinc/74/36/70/1003743670.db2.gz	DPDPVABGIVVPBI-UHFFFAOYSA-N	1	0	358.442	1.299	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](O)COCCOC)C1	ZINC001111001404	1003772205	/nfs/dbraw/zinc/77/22/05/1003772205.db2.gz	AZDIJALNSJBRQE-VQHPVUNQSA-N	1	0	352.475	1.088	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H](c1ccccn1)C1CCC1)C1CC[NH+](C)CC1	ZINC000931065649	1003840495	/nfs/dbraw/zinc/84/04/95/1003840495.db2.gz	KVTGASKWIWSXTR-IBGZPJMESA-N	1	0	368.481	1.595	20	30		FDEDRO
Cn1cc(C2=NC[C@H](C[NH+]3CCC(c4ccc(C#N)cn4)CC3)O2)cn1	ZINC000931113673	1003900104	/nfs/dbraw/zinc/90/01/04/1003900104.db2.gz	SMNKUEUQEVHZNR-QGZVFWFLSA-N	1	0	350.426	1.712	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H](C1CCC1)[C@@H]1CCCO1)C1CC[NH+](C)CC1	ZINC000931129917	1003910953	/nfs/dbraw/zinc/91/09/53/1003910953.db2.gz	ZISOWBQRHMKVFF-ROUUACIJSA-N	1	0	361.486	1.006	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000931192606	1003949426	/nfs/dbraw/zinc/94/94/26/1003949426.db2.gz	ZXUUEBWSCRWGNR-CVEARBPZSA-N	1	0	351.491	1.153	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)CN1CCC([N@@H+]2CCCOCC2)CC1	ZINC000931285526	1004027397	/nfs/dbraw/zinc/02/73/97/1004027397.db2.gz	PKKVNTJHWLNCOU-LJQANCHMSA-N	1	0	359.470	1.485	20	30		FDEDRO
N#Cc1ccc(-c2nnc(CN3CC[NH+](CCCCCO)CC3)o2)cc1	ZINC000931501431	1004221089	/nfs/dbraw/zinc/22/10/89/1004221089.db2.gz	YVFUJHUZMOIXST-UHFFFAOYSA-N	1	0	355.442	1.888	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc(-n3cccn3)c1)C2	ZINC001111012925	1004225366	/nfs/dbraw/zinc/22/53/66/1004225366.db2.gz	YFJAIMCDULELRT-KURKYZTESA-N	1	0	367.453	1.805	20	30		FDEDRO
CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)NCc2cc(C#N)ccc2F)CC1	ZINC000931591411	1004295536	/nfs/dbraw/zinc/29/55/36/1004295536.db2.gz	CRHCVFCVSBDXQF-UHFFFAOYSA-N	1	0	374.460	1.892	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)Nc2ccc(OCC[NH+](C)C)c(OC)c2)C1	ZINC000931766209	1004480172	/nfs/dbraw/zinc/48/01/72/1004480172.db2.gz	AREKBTCRBYFZRZ-QGZVFWFLSA-N	1	0	374.485	1.855	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)Nc2ccc(OCC[NH+](C)C)c(OC)c2)C1	ZINC000931766208	1004480459	/nfs/dbraw/zinc/48/04/59/1004480459.db2.gz	AREKBTCRBYFZRZ-KRWDZBQOSA-N	1	0	374.485	1.855	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)c(C#N)cn1CC	ZINC000931783272	1004490458	/nfs/dbraw/zinc/49/04/58/1004490458.db2.gz	WBTJOPQHSSJHSS-JSGCOSHPSA-N	1	0	359.430	1.724	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC[C@@H]1C)C2	ZINC001111020792	1004626622	/nfs/dbraw/zinc/62/66/22/1004626622.db2.gz	JNESXAVGGFZCCG-MANSERQUSA-N	1	0	374.529	1.393	20	30		FDEDRO
C[C@]1([C@H]2CCC[N@H+](CC(=O)NCc3cccc(C#N)c3)C2)COC(=O)N1	ZINC000932027537	1004716532	/nfs/dbraw/zinc/71/65/32/1004716532.db2.gz	QNOKAIGWQLWQKT-QFBILLFUSA-N	1	0	356.426	1.385	20	30		FDEDRO
CN(C(=O)C[N@@H+]1CCC[C@@H]([C@]2(C)COC(=O)N2)C1)C1(C#N)CCCCC1	ZINC000932030143	1004718471	/nfs/dbraw/zinc/71/84/71/1004718471.db2.gz	SCSMAADDWHLKJR-QAPCUYQASA-N	1	0	362.474	1.882	20	30		FDEDRO
CCO[C@@H](CNC(=O)C(=O)N(Cc1ccc(C#N)cc1)C(C)C)C[NH+](C)C	ZINC000932471686	1004975925	/nfs/dbraw/zinc/97/59/25/1004975925.db2.gz	IVOGSVVOADZBDW-SFHVURJKSA-N	1	0	374.485	1.378	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1C#N	ZINC000932477220	1004979827	/nfs/dbraw/zinc/97/98/27/1004979827.db2.gz	VXMXPJJSGNVVST-SFHVURJKSA-N	1	0	354.454	1.570	20	30		FDEDRO
COc1ncc(NC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1C#N	ZINC000932512899	1004995554	/nfs/dbraw/zinc/99/55/54/1004995554.db2.gz	AVQGLBPFYANQBD-YOEHRIQHSA-N	1	0	372.473	1.452	20	30		FDEDRO
COc1ncc(NC(=O)NCC2CC[NH+](C3CCOCC3)CC2)cc1C#N	ZINC000932516021	1004997400	/nfs/dbraw/zinc/99/74/00/1004997400.db2.gz	AYHNZGNVPMDVDZ-UHFFFAOYSA-N	1	0	373.457	1.974	20	30		FDEDRO
COc1ncc(NC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)cc1C#N	ZINC000932519302	1004998367	/nfs/dbraw/zinc/99/83/67/1004998367.db2.gz	JGFYQDIKQVIJBM-HNNXBMFYSA-N	1	0	359.430	1.727	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](CCNC(=O)OC(C)(C)C)C1	ZINC000932703002	1005109804	/nfs/dbraw/zinc/10/98/04/1005109804.db2.gz	ZZCCCNWIRFIZPU-ZDUSSCGKSA-N	1	0	354.451	1.235	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1C[C@@H](C[NH3+])[C@H](OCC)C1	ZINC000652357251	1016964014	/nfs/dbraw/zinc/96/40/14/1016964014.db2.gz	FLCAXNAWIGGVDH-BFYDXBDKSA-N	1	0	351.516	1.947	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(CN3CCNC3=O)CC2)cc1	ZINC000933581371	1005583030	/nfs/dbraw/zinc/58/30/30/1005583030.db2.gz	ZQGCBDRDLAMSOJ-SFHVURJKSA-N	1	0	372.469	1.230	20	30		FDEDRO
C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCO[C@@](C)(C#N)C1	ZINC000933603084	1005587932	/nfs/dbraw/zinc/58/79/32/1005587932.db2.gz	FTWHBMDVJXSSIJ-POAQFYNOSA-N	1	0	356.470	1.380	20	30		FDEDRO
CN(C[C@H](O)C[NH+]1CCC2(CC1)CC(=O)C=CO2)C(=O)OC(C)(C)C	ZINC000933645333	1005597601	/nfs/dbraw/zinc/59/76/01/1005597601.db2.gz	MEOLIBBHUFASOU-HNNXBMFYSA-N	1	0	354.447	1.552	20	30		FDEDRO
O=C(CC[NH+]1CCC2(CC1)CC(=O)C=CO2)NC(=O)NCC(F)(F)F	ZINC000933648564	1005598219	/nfs/dbraw/zinc/59/82/19/1005598219.db2.gz	DELWIGMYUVIVIK-UHFFFAOYSA-N	1	0	363.336	1.102	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(C)Cc2cc(C#N)cs2)C1	ZINC000933777597	1005633991	/nfs/dbraw/zinc/63/39/91/1005633991.db2.gz	CQNOULIQRUADGZ-MRXNPFEDSA-N	1	0	364.515	1.525	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2CCOC23CCOCC3)c1	ZINC000934404441	1005741043	/nfs/dbraw/zinc/74/10/43/1005741043.db2.gz	RRMPAACUQMFFMD-INIZCTEOSA-N	1	0	350.440	1.260	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@H](c2ccncc2)C2CC2)CC1	ZINC000934698597	1005780715	/nfs/dbraw/zinc/78/07/15/1005780715.db2.gz	NTAGINZIELOFBC-QUCCMNQESA-N	1	0	355.486	1.815	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1=O	ZINC000637664522	1006119709	/nfs/dbraw/zinc/11/97/09/1006119709.db2.gz	IYKLNXHBXKQMOZ-MRXNPFEDSA-N	1	0	360.462	1.400	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1oc(C3CC3)nc1C)C2	ZINC001111120477	1006295084	/nfs/dbraw/zinc/29/50/84/1006295084.db2.gz	UNIHXKCYXWZMOE-XZDPQHSOSA-N	1	0	370.453	1.333	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC(=O)N(CC)CC)C2	ZINC001111156338	1006509937	/nfs/dbraw/zinc/50/99/37/1006509937.db2.gz	XBWVFYZSZHOQSS-KURKYZTESA-N	1	0	365.518	1.949	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH]c(=O)c1=O)C2	ZINC001111157607	1006518259	/nfs/dbraw/zinc/51/82/59/1006518259.db2.gz	OOYBNRRIKSJUFA-ZACQAIPSSA-N	1	0	374.485	1.395	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1	ZINC000954381115	1006652360	/nfs/dbraw/zinc/65/23/60/1006652360.db2.gz	VCGGHQQTQGCRRE-AYBZRNKSSA-N	1	0	363.502	1.369	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3C3CCC3)C2)CC1	ZINC000954387228	1006665409	/nfs/dbraw/zinc/66/54/09/1006665409.db2.gz	VYLRSIJKPFAQKP-RBUKOAKNSA-N	1	0	357.498	1.437	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000954394930	1006694287	/nfs/dbraw/zinc/69/42/87/1006694287.db2.gz	TYTCIDUJQNPRPV-FJIDUMEYSA-N	1	0	363.502	1.367	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1	ZINC000954395173	1006694463	/nfs/dbraw/zinc/69/44/63/1006694463.db2.gz	YHSYRRZYFWZLLU-BZSNNMDCSA-N	1	0	363.502	1.511	20	30		FDEDRO
C[NH+]=C(N[C@@H]1C[C@@H]1C1CCCCC1)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000155834420	1006730534	/nfs/dbraw/zinc/73/05/34/1006730534.db2.gz	OKSQYEQIWRLCAC-IAGOWNOFSA-N	1	0	358.490	1.613	20	30		FDEDRO
C=C[C@H](C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1ccccc1	ZINC000954410903	1006744468	/nfs/dbraw/zinc/74/44/68/1006744468.db2.gz	MUPLBEWNIBTOSK-AYOQOUSVSA-N	1	0	355.482	1.966	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3ccncc3c1)C2	ZINC001111230559	1006978773	/nfs/dbraw/zinc/97/87/73/1006978773.db2.gz	QOOCGTNIFSBHFC-QRVBRYPASA-N	1	0	364.449	1.872	20	30		FDEDRO
C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](CCC(=O)N(C)CCC#N)C1	ZINC000778979564	1007096807	/nfs/dbraw/zinc/09/68/07/1007096807.db2.gz	WJXNXQQGYATVPZ-CABCVRRESA-N	1	0	352.479	1.984	20	30		FDEDRO
C=CC[C@@H]1CCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1	ZINC000641841804	1007191778	/nfs/dbraw/zinc/19/17/78/1007191778.db2.gz	XKEVCUVPXDUYMH-MSOLQXFVSA-N	1	0	350.507	1.391	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NCCCN(C)c2ncc(C#N)cc2Cl)O1	ZINC001095770688	1007321902	/nfs/dbraw/zinc/32/19/02/1007321902.db2.gz	BMKZQSPPNSEMSI-IUODEOHRSA-N	1	0	365.865	1.268	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCN(C(=O)C2CC[NH+](C)CC2)CC1	ZINC000947278778	1007488210	/nfs/dbraw/zinc/48/82/10/1007488210.db2.gz	GIIBSHNZECADDU-MSOLQXFVSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@](C)(NC(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000957003884	1007491382	/nfs/dbraw/zinc/49/13/82/1007491382.db2.gz	FBLXJQNNEDJAHD-UEXGIBASSA-N	1	0	357.498	1.485	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C	ZINC000957064822	1007640446	/nfs/dbraw/zinc/64/04/46/1007640446.db2.gz	MBCQEDLRTJFHJA-FUHIMQAGSA-N	1	0	367.493	1.515	20	30		FDEDRO
C[C@]12C[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C[C@@]1(C)C(=O)NC2=O	ZINC000639948514	1007654239	/nfs/dbraw/zinc/65/42/39/1007654239.db2.gz	IFZVJYLWVOPAIW-CALCHBBNSA-N	1	0	366.339	1.921	20	30		FDEDRO
C=CCc1cc(OC)cc(C[NH+]2CCC(CNS(C)(=O)=O)CC2)c1O	ZINC000795670385	1007798300	/nfs/dbraw/zinc/79/83/00/1007798300.db2.gz	JCCVTGBLYLDIQQ-UHFFFAOYSA-N	1	0	368.499	1.891	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1	ZINC000956064354	1007834910	/nfs/dbraw/zinc/83/49/10/1007834910.db2.gz	NOGMPRYAHYJJAH-LNLFQRSKSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1	ZINC000956501331	1008184661	/nfs/dbraw/zinc/18/46/61/1008184661.db2.gz	YDUCNSHLIOMQOO-IXDOHACOSA-N	1	0	363.502	1.415	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)C[C@H]2C)CC1	ZINC000957424985	1008277768	/nfs/dbraw/zinc/27/77/68/1008277768.db2.gz	GXZVDEKENIYMEX-NXWXRZEISA-N	1	0	373.541	1.977	20	30		FDEDRO
C=CCn1cc(C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)nn1	ZINC000648735311	1008575842	/nfs/dbraw/zinc/57/58/42/1008575842.db2.gz	JXWIEWMSFAJXRI-UHFFFAOYSA-N	1	0	354.458	1.142	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)cc1	ZINC000646238068	1008600364	/nfs/dbraw/zinc/60/03/64/1008600364.db2.gz	NSGJNQRIEAMGJB-AWEZNQCLSA-N	1	0	373.457	1.186	20	30		FDEDRO
C#CCOCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C2	ZINC001111746487	1009479590	/nfs/dbraw/zinc/47/95/90/1009479590.db2.gz	XZPIYNUTRDIHKI-LZWOXQAQSA-N	1	0	362.392	1.310	20	30		FDEDRO
CCc1ccc([C@@H](CNC(=[NH2+])NCCCN2CCOCC2)N(C)C)cc1	ZINC000303785411	1009582721	/nfs/dbraw/zinc/58/27/21/1009582721.db2.gz	QHFCFRQLTSHJIL-LJQANCHMSA-N	1	0	361.534	1.478	20	30		FDEDRO
C[NH+]=C(NCCOc1ccc(C(C)(C)C)cc1)NCCN1CCOCC1	ZINC000303784957	1009583296	/nfs/dbraw/zinc/58/32/96/1009583296.db2.gz	PYELZARMYUUDMM-UHFFFAOYSA-N	1	0	362.518	1.860	20	30		FDEDRO
CCc1nc(C#N)cc(NC2CC[NH+](CCNC(=O)[C@@H]3C[C@H]3CC)CC2)n1	ZINC001111321544	1009599808	/nfs/dbraw/zinc/59/98/08/1009599808.db2.gz	RKUUMCPBJOXKAI-RHSMWYFYSA-N	1	0	370.501	1.949	20	30		FDEDRO
CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1	ZINC001111322203	1009604228	/nfs/dbraw/zinc/60/42/28/1009604228.db2.gz	WJPYWVSBVQBRQM-TVFCKZIOSA-N	1	0	369.469	1.617	20	30		FDEDRO
CCCNC(=[NH2+])NCCCCCC(=O)N1CCN(C(=O)CC(C)C)CC1	ZINC000303977696	1009789680	/nfs/dbraw/zinc/78/96/80/1009789680.db2.gz	LNEQLRJTWANBBD-UHFFFAOYSA-N	1	0	367.538	1.578	20	30		FDEDRO
C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O	ZINC000960347338	1010012508	/nfs/dbraw/zinc/01/25/08/1010012508.db2.gz	NTFREPUCJGSNLC-LFRCEIEQSA-N	1	0	365.905	1.967	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)CC2(C)C)CC[N@@H+]1C	ZINC000967048216	1017085729	/nfs/dbraw/zinc/08/57/29/1017085729.db2.gz	ZTTWOBAFAYXZCO-FRFSOERESA-N	1	0	371.485	1.583	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C	ZINC000950987785	1010228829	/nfs/dbraw/zinc/22/88/29/1010228829.db2.gz	JNUXBWMDRPVBHE-AHRSYUTCSA-N	1	0	367.493	1.658	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1	ZINC000960502372	1010288337	/nfs/dbraw/zinc/28/83/37/1010288337.db2.gz	ZORCLNZJSPEQJP-DLBZAZTESA-N	1	0	363.502	1.513	20	30		FDEDRO
C[NH+]=C(NCCOc1cccc(C(C)(C)C)c1)NCCN1CCOCC1	ZINC000304527504	1010294687	/nfs/dbraw/zinc/29/46/87/1010294687.db2.gz	LWMWYAMLIRXDIX-UHFFFAOYSA-N	1	0	362.518	1.860	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@H]2OCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)[C@H]2C1	ZINC000960560756	1010383056	/nfs/dbraw/zinc/38/30/56/1010383056.db2.gz	AVVCZYHGSVPFTI-YESZJQIVSA-N	1	0	363.502	1.511	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3ncsc3c1)C2	ZINC001111353219	1010408872	/nfs/dbraw/zinc/40/88/72/1010408872.db2.gz	OFCBKAWWJOGPNU-BMFZPTHFSA-N	1	0	368.462	1.381	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](NC(=O)[C@@H]3C[C@H]3CCC)C2)CC1	ZINC000951078957	1010429124	/nfs/dbraw/zinc/42/91/24/1010429124.db2.gz	NKTQYQQWZCDIFP-GUDVDZBRSA-N	1	0	359.514	1.875	20	30		FDEDRO
CC(C)COc1ccc(CCNC(=[NH2+])NCCCN2CCOCC2)cc1	ZINC000304765728	1010489967	/nfs/dbraw/zinc/48/99/67/1010489967.db2.gz	ZPZMKRQSZHNAIN-UHFFFAOYSA-N	1	0	362.518	1.891	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)cn1	ZINC000951386195	1010806580	/nfs/dbraw/zinc/80/65/80/1010806580.db2.gz	XCHFRZFYQQJGIV-FGTMMUONSA-N	1	0	354.454	1.124	20	30		FDEDRO
Cc1nc(N2CCC[C@@](CO)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)ccc1C#N	ZINC001111373395	1010835958	/nfs/dbraw/zinc/83/59/58/1010835958.db2.gz	HLRMIIFCBWHAME-WRWLIDTKSA-N	1	0	371.485	1.049	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCC[C@](CO)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001111373974	1010844413	/nfs/dbraw/zinc/84/44/13/1010844413.db2.gz	VZTGBTVZPQKUQE-MDYRTPRTSA-N	1	0	371.485	1.049	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cncn3)nc1)C2	ZINC001095843764	1010997137	/nfs/dbraw/zinc/99/71/37/1010997137.db2.gz	HEBYVWPIKLLYNQ-IKGGRYGDSA-N	1	0	352.442	1.964	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(C#N)cc1	ZINC000960862555	1011568505	/nfs/dbraw/zinc/56/85/05/1011568505.db2.gz	AUTNPUXFZKJYTA-OTWHNJEPSA-N	1	0	368.481	1.705	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cccc(C#N)c1	ZINC000960872158	1011582521	/nfs/dbraw/zinc/58/25/21/1011582521.db2.gz	YKUNUYSKMCZGHM-QRVBRYPASA-N	1	0	368.481	1.705	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@@H](O)C1	ZINC000963013246	1011756858	/nfs/dbraw/zinc/75/68/58/1011756858.db2.gz	SOOIHPQXBRHQHZ-IKGGRYGDSA-N	1	0	365.518	1.540	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@@H](O)C1	ZINC000963013902	1011757328	/nfs/dbraw/zinc/75/73/28/1011757328.db2.gz	YELIMMZYZDLLOU-PMPSAXMXSA-N	1	0	351.491	1.149	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC000963159249	1011940728	/nfs/dbraw/zinc/94/07/28/1011940728.db2.gz	XGWWIBMJCWZJGA-ZSGPHXLJSA-N	1	0	369.469	1.432	20	30		FDEDRO
N#Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCNC2=O)C3)cc1F	ZINC001095866834	1011988058	/nfs/dbraw/zinc/98/80/58/1011988058.db2.gz	QJHIQRCNNKUWPB-OHFALNGGSA-N	1	0	356.401	1.055	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+](CCCO)C2)CC1	ZINC000961412445	1012349107	/nfs/dbraw/zinc/34/91/07/1012349107.db2.gz	SGWGXCREWJDJGX-QRVBRYPASA-N	1	0	350.503	1.911	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)nn3)CC2)CC[N@@H+]1C	ZINC001066799054	1012536406	/nfs/dbraw/zinc/53/64/06/1012536406.db2.gz	YKQHDGPISZDFEL-BHYGNILZSA-N	1	0	356.474	1.554	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCCC3)[C@@H](O)C2)C1	ZINC000963812612	1012726737	/nfs/dbraw/zinc/72/67/37/1012726737.db2.gz	YJQPZSOLWKZOSQ-CVEARBPZSA-N	1	0	363.502	1.295	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2OCC[C@H]2C)cc1C#N	ZINC000961811247	1012874640	/nfs/dbraw/zinc/87/46/40/1012874640.db2.gz	YAYIKPLLWNWUMM-DPFUCDOTSA-N	1	0	355.438	1.538	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1	ZINC000953973948	1012992762	/nfs/dbraw/zinc/99/27/62/1012992762.db2.gz	IHSAUDZQZFZULF-NJAFHUGGSA-N	1	0	363.502	1.369	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)[C@H](C)C#N)CC[C@@H]3C2)CC[N@@H+]1C	ZINC000967381752	1017449100	/nfs/dbraw/zinc/44/91/00/1017449100.db2.gz	LZAHCJZEEMPZPB-DFBDCSAJSA-N	1	0	360.502	1.573	20	30		FDEDRO
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000506621552	538901713	/nfs/dbraw/zinc/90/17/13/538901713.db2.gz	SMHCSIOHZCBNSP-DNVCBOLYSA-N	1	0	365.474	1.429	20	30		FDEDRO
CCN1CCN(C(=O)CC2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)CC1	ZINC000191332347	178052434	/nfs/dbraw/zinc/05/24/34/178052434.db2.gz	BLANWIXTGIWHOU-UHFFFAOYSA-N	1	0	357.502	1.663	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C1CC[NH+](C2CC2)CC1	ZINC000192708926	178128488	/nfs/dbraw/zinc/12/84/88/178128488.db2.gz	IASCEKMZNGFARU-CQSZACIVSA-N	1	0	354.458	1.260	20	30		FDEDRO
C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000193643675	178174383	/nfs/dbraw/zinc/17/43/83/178174383.db2.gz	CJSOMWFSHBSFCG-BDJLRTHQSA-N	1	0	360.483	1.941	20	30		FDEDRO
CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000508736324	538936439	/nfs/dbraw/zinc/93/64/39/538936439.db2.gz	KALQRBGRDYMEHT-MSOLQXFVSA-N	1	0	356.470	1.942	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(c3ccnn3CCO)CC2)cc1	ZINC000195508287	178267964	/nfs/dbraw/zinc/26/79/64/178267964.db2.gz	ROEJBXVXRRUQDN-SFHVURJKSA-N	1	0	370.453	1.366	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000245792351	178381590	/nfs/dbraw/zinc/38/15/90/178381590.db2.gz	CIZSCSFKODJOAP-WOJBJXKFSA-N	1	0	372.513	1.400	20	30		FDEDRO
C[C@@](CO)([NH2+]CC(=O)NC1(C#N)CCC1)c1ccc(Br)cc1	ZINC000511559632	538961090	/nfs/dbraw/zinc/96/10/90/538961090.db2.gz	BSFWVWCQQWNHRW-HNNXBMFYSA-N	1	0	366.259	1.809	20	30		FDEDRO
CC[C@@H](C(=O)OC)N1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000511546478	538960796	/nfs/dbraw/zinc/96/07/96/538960796.db2.gz	POFCUSCGYIQIAN-KRWDZBQOSA-N	1	0	358.442	1.456	20	30		FDEDRO
C[NH+](C)CCNC(=O)C1CCN(C(=O)c2cc(C#N)ccc2Cl)CC1	ZINC000512327944	538971943	/nfs/dbraw/zinc/97/19/43/538971943.db2.gz	JGZKLDWUPFPPHB-UHFFFAOYSA-N	1	0	362.861	1.742	20	30		FDEDRO
CO[C@@H](C)C[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000513261788	538991102	/nfs/dbraw/zinc/99/11/02/538991102.db2.gz	PFWOFSXRCMCVIX-LSDHHAIUSA-N	1	0	350.488	1.424	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1	ZINC000512827872	538981531	/nfs/dbraw/zinc/98/15/31/538981531.db2.gz	LVZZYTZJQUCFFW-IBGZPJMESA-N	1	0	374.485	1.144	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NCCC[NH+]2CCCC2)C[C@]12C(=O)Nc1ccccc12	ZINC000513848951	539007402	/nfs/dbraw/zinc/00/74/02/539007402.db2.gz	QGYFNQOITOJKIP-QRWLVFNGSA-N	1	0	367.453	1.527	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1	ZINC000516233167	539024976	/nfs/dbraw/zinc/02/49/76/539024976.db2.gz	XGRQZOMMFXPWRU-HOTGVXAUSA-N	1	0	354.454	1.922	20	30		FDEDRO
CCN1CCN(C(=O)Cc2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc2)CC1	ZINC000519647240	539495675	/nfs/dbraw/zinc/49/56/75/539495675.db2.gz	SDBTYIWDQDKRKT-GOSISDBHSA-N	1	0	371.485	1.353	20	30		FDEDRO
COc1cccc([C@H]2C[C@@H]2C(=O)N(CCC#N)CCN2CCOCC2)c1	ZINC000520735649	539509094	/nfs/dbraw/zinc/50/90/94/539509094.db2.gz	QIIIGZSKZQASTC-MOPGFXCFSA-N	1	0	357.454	1.873	20	30		FDEDRO
CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H]3CCN(c4sccc4C#N)C3=O)[C@H]2C1	ZINC000520884177	539511387	/nfs/dbraw/zinc/51/13/87/539511387.db2.gz	MYOLLMAAIHPUNC-LUKYLMHMSA-N	1	0	372.494	1.962	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2cccc(C#N)c2)CC1	ZINC000264038134	179018478	/nfs/dbraw/zinc/01/84/78/179018478.db2.gz	FLJIZORLRCZVLZ-UHFFFAOYSA-N	1	0	357.458	1.254	20	30		FDEDRO
COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCC(=O)Nc2ccccc2C#N)C1	ZINC000264227645	179054508	/nfs/dbraw/zinc/05/45/08/179054508.db2.gz	QTRJCKMEUWPWPT-NVXWUHKLSA-N	1	0	372.469	1.750	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3cccc(C#N)c3)CC2)c1	ZINC000264285618	179069177	/nfs/dbraw/zinc/06/91/77/179069177.db2.gz	SFUBRZVECXDQFB-UHFFFAOYSA-N	1	0	365.393	1.249	20	30		FDEDRO
Cn1cc(N2CC[C@@H]([NH2+]C3CCN(c4ccc(C#N)cc4)CC3)C2=O)cn1	ZINC000264738069	179184792	/nfs/dbraw/zinc/18/47/92/179184792.db2.gz	JOCKTZNTICBOCW-LJQANCHMSA-N	1	0	364.453	1.656	20	30		FDEDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCCSCc1ccccc1C#N	ZINC000264773728	179196595	/nfs/dbraw/zinc/19/65/95/179196595.db2.gz	WOOWMNCBLZAUNC-KRWDZBQOSA-N	1	0	361.515	1.336	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000264867075	179224890	/nfs/dbraw/zinc/22/48/90/179224890.db2.gz	QMVJJFFUMKNQSM-KRWDZBQOSA-N	1	0	356.474	1.659	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1	ZINC000265020848	179268714	/nfs/dbraw/zinc/26/87/14/179268714.db2.gz	HBMHQLHQPPANLE-LSDHHAIUSA-N	1	0	359.474	1.046	20	30		FDEDRO
COC(=O)CCCS(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000265457800	179382074	/nfs/dbraw/zinc/38/20/74/179382074.db2.gz	FYRMFYWQIAYBLP-UHFFFAOYSA-N	1	0	367.471	1.205	20	30		FDEDRO
CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1	ZINC000268272830	180041632	/nfs/dbraw/zinc/04/16/32/180041632.db2.gz	UPPMRNUTFGFZLQ-NVXWUHKLSA-N	1	0	356.474	1.514	20	30		FDEDRO
CCN(CC)C(=O)CN1CCCN(c2nccc(C#N)c2[N+](=O)[O-])CC1	ZINC000268482656	180093507	/nfs/dbraw/zinc/09/35/07/180093507.db2.gz	LTWANLPVILEQRC-UHFFFAOYSA-N	1	0	360.418	1.242	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)NCCCC[N@@H+]1CCC[C@H]1CO	ZINC000269290669	180264869	/nfs/dbraw/zinc/26/48/69/180264869.db2.gz	CYTCFNXHJMNIEP-INIZCTEOSA-N	1	0	361.442	1.299	20	30		FDEDRO
C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2ccc(C#N)cc2F)CCSC1	ZINC000269364821	180285043	/nfs/dbraw/zinc/28/50/43/180285043.db2.gz	WWZYADURUWRIDC-MRXNPFEDSA-N	1	0	350.419	1.189	20	30		FDEDRO
Cn1ccnc1[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)CCO1	ZINC000530234129	539916365	/nfs/dbraw/zinc/91/63/65/539916365.db2.gz	NTZVCXSZSATPSX-JZXOWHBKSA-N	1	0	356.426	1.541	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCCN(c2cccnc2)C1=O	ZINC000530231546	539915878	/nfs/dbraw/zinc/91/58/78/539915878.db2.gz	JPTHHMASRXUPHP-ZWKOTPCHSA-N	1	0	366.421	1.478	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C(=O)NCC(F)(F)F)CC1	ZINC000530338120	539944982	/nfs/dbraw/zinc/94/49/82/539944982.db2.gz	UHDAQRIKLKDTEG-NSHDSACASA-N	1	0	360.380	1.328	20	30		FDEDRO
CC[NH+]1CCN(CC(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)CC1	ZINC000530877124	540060706	/nfs/dbraw/zinc/06/07/06/540060706.db2.gz	DFQAUAVDOWAQQN-OAHLLOKOSA-N	1	0	370.375	1.904	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@H]1[NH+](C)C	ZINC000274833260	181173272	/nfs/dbraw/zinc/17/32/72/181173272.db2.gz	ZXAGZYMEZHUJTM-OLZOCXBDSA-N	1	0	359.904	1.878	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-n3cncn3)cc2)c1C#N	ZINC000534791224	540412469	/nfs/dbraw/zinc/41/24/69/540412469.db2.gz	PFMXLAPEBBQHJV-UHFFFAOYSA-N	1	0	350.386	1.266	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cc(C)n(-c3nc(C)cc(C)n3)n2)CC1	ZINC000535723531	540498087	/nfs/dbraw/zinc/49/80/87/540498087.db2.gz	DUOJXWDBVVEABG-UHFFFAOYSA-N	1	0	354.458	1.968	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1	ZINC000537037941	540676611	/nfs/dbraw/zinc/67/66/11/540676611.db2.gz	JLVFYEHFXVXJOS-QRVBRYPASA-N	1	0	362.518	1.427	20	30		FDEDRO
C=CC[C@@H](CO)CNC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1	ZINC000538211062	540825933	/nfs/dbraw/zinc/82/59/33/540825933.db2.gz	QTWDHLCNXIVARJ-MRXNPFEDSA-N	1	0	368.522	1.097	20	30		FDEDRO
C=CC[N@@H+](CCC(=O)N(C)CCC#N)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000538954203	540913746	/nfs/dbraw/zinc/91/37/46/540913746.db2.gz	PNMDILVBTMYZIT-MRXNPFEDSA-N	1	0	367.457	1.973	20	30		FDEDRO
C[C@H]1C[N@H+](C)CCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000539452007	540961753	/nfs/dbraw/zinc/96/17/53/540961753.db2.gz	JLJAPZIXZNXXSZ-HOTGVXAUSA-N	1	0	361.515	1.093	20	30		FDEDRO
CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1C	ZINC000539597491	540976456	/nfs/dbraw/zinc/97/64/56/540976456.db2.gz	NJBNKJYSILDACL-LLVKDONJSA-N	1	0	371.462	1.277	20	30		FDEDRO
C[C@@H]1CCN(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000539788127	540993542	/nfs/dbraw/zinc/99/35/42/540993542.db2.gz	DPWPYSQGBBWKPT-OAHLLOKOSA-N	1	0	350.488	1.508	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(CC(C)C)[nH]c(=O)c2)c1C#N	ZINC000539720720	540985443	/nfs/dbraw/zinc/98/54/43/540985443.db2.gz	HLNFKDQCMFJKDC-UHFFFAOYSA-N	1	0	356.430	1.985	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2ccccc2C#N)C[C@H]1[NH+]1CCCC1	ZINC000275482096	181328831	/nfs/dbraw/zinc/32/88/31/181328831.db2.gz	NXWHFAWEYFSCBX-HUUCEWRRSA-N	1	0	351.497	1.759	20	30		FDEDRO
CC(C)S(=O)(=O)c1ccc(CC(=O)NC2(C#N)CC[NH+](C)CC2)cc1	ZINC000540971548	541127241	/nfs/dbraw/zinc/12/72/41/541127241.db2.gz	KDTMDENQTINEKJ-UHFFFAOYSA-N	1	0	363.483	1.515	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@H](CO)C2CCCCC2)CC1	ZINC000541056123	541143492	/nfs/dbraw/zinc/14/34/92/541143492.db2.gz	YHRAEDYATSITIA-QZTJIDSGSA-N	1	0	350.507	1.210	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCSC[C@H]2CO)c(OC)c1	ZINC000541326220	541186741	/nfs/dbraw/zinc/18/67/41/541186741.db2.gz	TVVVILHAGVDVCD-CVEARBPZSA-N	1	0	353.484	1.573	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)CCCc1[nH]nc(N)c1C#N	ZINC000541895875	541291875	/nfs/dbraw/zinc/29/18/75/541291875.db2.gz	AVCKJSVJEAONDL-ZIAGYGMSSA-N	1	0	361.494	1.558	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC[NH2+]C2)cc1	ZINC000269243912	674108092	/nfs/dbraw/zinc/10/80/92/674108092.db2.gz	JCNZAXBLWREWRH-RILUTCLRSA-N	1	0	350.444	1.047	20	30		FDEDRO
C=CCc1cc(C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)cc(OC)c1O	ZINC000269505997	674109843	/nfs/dbraw/zinc/10/98/43/674109843.db2.gz	RLRYGOBVOHALNP-AWEZNQCLSA-N	1	0	368.499	1.891	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Nc2nnc(CC(=O)OCC)s2)CC1	ZINC000269850319	674120144	/nfs/dbraw/zinc/12/01/44/674120144.db2.gz	SERYOQYEUIFUIP-UHFFFAOYSA-N	1	0	367.475	1.806	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	ZINC000282686441	182042472	/nfs/dbraw/zinc/04/24/72/182042472.db2.gz	WZNZLQXSVRJVNH-UHFFFAOYSA-N	1	0	350.488	1.171	20	30		FDEDRO
C[C@H](O)CN1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C[C@H]1C	ZINC000282815817	182059704	/nfs/dbraw/zinc/05/97/04/182059704.db2.gz	RJFZSTXEOCHUIK-CABCVRRESA-N	1	0	353.426	1.271	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)C(=O)N(Cc2ccc(C#N)cc2)C(C)C)CC1	ZINC000283368403	182167372	/nfs/dbraw/zinc/16/73/72/182167372.db2.gz	IEZSGCLVJCCUBB-UHFFFAOYSA-N	1	0	356.470	1.896	20	30		FDEDRO
COC(=O)[C@]1(C)C[N@@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@H]1C	ZINC000283868576	182298009	/nfs/dbraw/zinc/29/80/09/182298009.db2.gz	SVBQQQYZDONEQM-XFHNUULXSA-N	1	0	355.394	1.321	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1CC[N@H+](Cc2ccccc2)[C@H](CC)C1	ZINC000545397452	541958943	/nfs/dbraw/zinc/95/89/43/541958943.db2.gz	MGRFEMRBUXAULJ-SJLPKXTDSA-N	1	0	358.486	1.983	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1	ZINC000284176526	182389678	/nfs/dbraw/zinc/38/96/78/182389678.db2.gz	ZEOLEEUJMILCLC-HKUYNNGSSA-N	1	0	366.465	1.650	20	30		FDEDRO
CCN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)N(C)CCC#N	ZINC000545471737	541979797	/nfs/dbraw/zinc/97/97/97/541979797.db2.gz	OUAQJOLDLUQJLL-QGZVFWFLSA-N	1	0	350.488	1.673	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C	ZINC000546002892	542072720	/nfs/dbraw/zinc/07/27/20/542072720.db2.gz	SNNZYWVPYQDLQD-KGLIPLIRSA-N	1	0	358.442	1.884	20	30		FDEDRO
COC(=O)C1CC[NH+](CCCNS(=O)(=O)CC2(C#N)CCCC2)CC1	ZINC000546076840	542091946	/nfs/dbraw/zinc/09/19/46/542091946.db2.gz	LTRJKRUEHXAEAN-UHFFFAOYSA-N	1	0	371.503	1.265	20	30		FDEDRO
CC(=O)OCCCS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000286476238	183077060	/nfs/dbraw/zinc/07/70/60/183077060.db2.gz	BXRRUTFDFXQYQJ-UHFFFAOYSA-N	1	0	367.471	1.205	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCn1cnc(C#N)n1	ZINC000286674011	183125484	/nfs/dbraw/zinc/12/54/84/183125484.db2.gz	MDVIZUYYADBRKD-RDJZCZTQSA-N	1	0	367.457	1.360	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)o2)[C@H](C)C1	ZINC000286940938	183177705	/nfs/dbraw/zinc/17/77/05/183177705.db2.gz	QIOUUBTUNWTOFI-HIFRSBDPSA-N	1	0	355.460	1.567	20	30		FDEDRO
CC[NH+](CC)CCOc1ccc(C(=O)NCCn2cnc(C#N)n2)cc1	ZINC000286960410	183182333	/nfs/dbraw/zinc/18/23/33/183182333.db2.gz	SAGQJENDIRMAGT-UHFFFAOYSA-N	1	0	356.430	1.300	20	30		FDEDRO
Cc1nn(C)cc1S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000286987142	183187259	/nfs/dbraw/zinc/18/72/59/183187259.db2.gz	SNTLNROSKMSIIW-UHFFFAOYSA-N	1	0	361.471	1.353	20	30		FDEDRO
COc1ccc(NC(=O)C[C@H](C)[NH2+]CCn2cnc(C#N)n2)c(OC)c1	ZINC000287644080	183345488	/nfs/dbraw/zinc/34/54/88/183345488.db2.gz	USNJRXPBXUHMBP-LBPRGKRZSA-N	1	0	358.402	1.174	20	30		FDEDRO
CC[NH+](CC)[C@H](CNC(=O)NCCn1cnc(C#N)n1)Cc1ccccc1	ZINC000287704123	183361047	/nfs/dbraw/zinc/36/10/47/183361047.db2.gz	FVHYLGOALVIJCN-KRWDZBQOSA-N	1	0	369.473	1.402	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)CCCO1	ZINC000291201942	183754185	/nfs/dbraw/zinc/75/41/85/183754185.db2.gz	GVPRGZKWIFQCKT-CYBMUJFWSA-N	1	0	362.405	1.253	20	30		FDEDRO
Cn1cc(C[NH2+][C@H]2CCCN(CCCO)C2)c(-c2ccc(C#N)cc2)n1	ZINC000295078536	184032229	/nfs/dbraw/zinc/03/22/29/184032229.db2.gz	HYORWCYLCAUHGI-IBGZPJMESA-N	1	0	353.470	1.895	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc(C#N)cc(N(C)C)c1	ZINC000295386800	184065231	/nfs/dbraw/zinc/06/52/31/184065231.db2.gz	PMTRGXSYAJCXOG-HNNXBMFYSA-N	1	0	356.470	1.950	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cnc1C(F)(F)F	ZINC000295547815	184081834	/nfs/dbraw/zinc/08/18/34/184081834.db2.gz	SQNDMOFUWHXSAN-CYBMUJFWSA-N	1	0	356.348	1.549	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c(Cl)c1	ZINC000295950295	184116557	/nfs/dbraw/zinc/11/65/57/184116557.db2.gz	AZCMHSOFANQBOJ-ZDUSSCGKSA-N	1	0	364.833	1.113	20	30		FDEDRO
C[NH+](C)C1CCN(CCNS(=O)(=O)Cc2ccc(F)cc2C#N)CC1	ZINC000296128938	184132907	/nfs/dbraw/zinc/13/29/07/184132907.db2.gz	FYTGZZNXQBEDIP-UHFFFAOYSA-N	1	0	368.478	1.143	20	30		FDEDRO
N#Cc1cnc(N2CCN(Cc3cn4ccccc4n3)CC2)c([N+](=O)[O-])c1	ZINC000296179217	184138196	/nfs/dbraw/zinc/13/81/96/184138196.db2.gz	AXSURHLEKGIVTF-UHFFFAOYSA-N	1	0	363.381	1.831	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC[N@@H+](C2CC2)C1	ZINC000296373677	184159335	/nfs/dbraw/zinc/15/93/35/184159335.db2.gz	WJAYCPDVGAXDDK-AWEZNQCLSA-N	1	0	371.485	1.996	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(c3ncc(C#N)cc3[N+](=O)[O-])CC2)CC1	ZINC000297560202	184287670	/nfs/dbraw/zinc/28/76/70/184287670.db2.gz	RMFWAMALUTVARZ-UHFFFAOYSA-N	1	0	358.446	1.856	20	30		FDEDRO
COc1ccc(C[NH+]2CCC(n3cnc(C(N)=O)c3N)CC2)cc1C#N	ZINC000297730004	184317936	/nfs/dbraw/zinc/31/79/36/184317936.db2.gz	SJCDICZOASLFGK-UHFFFAOYSA-N	1	0	354.414	1.282	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1	ZINC000297756727	184323639	/nfs/dbraw/zinc/32/36/39/184323639.db2.gz	HWYIFUCTJJYKFB-MSOLQXFVSA-N	1	0	354.454	1.459	20	30		FDEDRO
CCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1	ZINC000297994029	184370662	/nfs/dbraw/zinc/37/06/62/184370662.db2.gz	XGRVCMKTRSKEGU-QAPCUYQASA-N	1	0	356.470	1.883	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCC[N@H+]2CC=C(C)CC2)c1	ZINC000547281914	542298759	/nfs/dbraw/zinc/29/87/59/542298759.db2.gz	NZXGZYQVNYUDEH-UHFFFAOYSA-N	1	0	363.483	1.533	20	30		FDEDRO
C[NH+]1CCN(CCCCNS(=O)(=O)CC2(C#N)CCCCC2)CC1	ZINC000547469329	542349284	/nfs/dbraw/zinc/34/92/84/542349284.db2.gz	YUBHYFOTSFELNN-UHFFFAOYSA-N	1	0	356.536	1.407	20	30		FDEDRO
C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000549162699	542845978	/nfs/dbraw/zinc/84/59/78/542845978.db2.gz	QSXMHBPXDYRESL-QWHCGFSZSA-N	1	0	372.450	1.883	20	30		FDEDRO
CC1CCC([NH+]2CCN(C(=O)C(=O)Nc3ccc(C#N)cn3)CC2)CC1	ZINC000550417711	543096550	/nfs/dbraw/zinc/09/65/50/543096550.db2.gz	DUIBQWLBCGKVDO-UHFFFAOYSA-N	1	0	355.442	1.615	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N(C[C@@H](O)CC(C)(C)C)C1CC[NH+](C)CC1	ZINC000550429147	543099650	/nfs/dbraw/zinc/09/96/50/543099650.db2.gz	UWGHTEHRMHMJSX-INIZCTEOSA-N	1	0	374.551	1.270	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCC[C@]1(C)CO)C(C)C	ZINC000551220912	543254081	/nfs/dbraw/zinc/25/40/81/543254081.db2.gz	DZLMMNGCQSBEBS-QFBILLFUSA-N	1	0	351.491	1.175	20	30		FDEDRO
N#CC1(NC(=O)[C@@H]2CCc3nncn3C2)CC[NH+](Cc2ccccc2)CC1	ZINC000551829446	543348166	/nfs/dbraw/zinc/34/81/66/543348166.db2.gz	KVPZBYYIRZNHFP-QGZVFWFLSA-N	1	0	364.453	1.515	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1	ZINC000552202276	543436916	/nfs/dbraw/zinc/43/69/16/543436916.db2.gz	OEXCIOANLKZOSL-WBVHZDCISA-N	1	0	361.511	1.801	20	30		FDEDRO
N#Cc1cc(F)cc(C2(C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)CC2)c1	ZINC000552262049	543444734	/nfs/dbraw/zinc/44/47/34/543444734.db2.gz	CQZMEIHMSVJRRV-HNNXBMFYSA-N	1	0	357.429	1.910	20	30		FDEDRO
N#CC1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1	ZINC000552510668	543478922	/nfs/dbraw/zinc/47/89/22/543478922.db2.gz	CSAMCIQWACNKKO-INIZCTEOSA-N	1	0	374.510	1.838	20	30		FDEDRO
C=CCN(CC1CCCCC1)C(=O)C(=O)NC[C@H]1CCC[N@H+]1CCOC	ZINC000552939722	543539916	/nfs/dbraw/zinc/53/99/16/543539916.db2.gz	VYIZINJUULVUEE-GOSISDBHSA-N	1	0	365.518	1.808	20	30		FDEDRO
CCN1CC[NH+](CCCCNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC1	ZINC000042593522	171902462	/nfs/dbraw/zinc/90/24/62/171902462.db2.gz	FJZLIBASXMABIZ-QGZVFWFLSA-N	1	0	358.486	1.859	20	30		FDEDRO
CC(C)[NH+](CCNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(C)C	ZINC000044848563	171909407	/nfs/dbraw/zinc/90/94/07/171909407.db2.gz	VWAITONGGQYBHQ-UHFFFAOYSA-N	1	0	365.499	1.708	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1F	ZINC000076541774	172112459	/nfs/dbraw/zinc/11/24/59/172112459.db2.gz	RVJFONFXSUNWEJ-AWEZNQCLSA-N	1	0	358.417	1.970	20	30		FDEDRO
C[C@@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)N1CC[NH+](C)CC1	ZINC000078049908	172141339	/nfs/dbraw/zinc/14/13/39/172141339.db2.gz	CFJZKOGIVUILMJ-LBPRGKRZSA-N	1	0	356.879	1.126	20	30		FDEDRO
CCCCN(C)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000079269035	172160682	/nfs/dbraw/zinc/16/06/82/172160682.db2.gz	KNYJTNPUVBCITC-UHFFFAOYSA-N	1	0	352.504	1.899	20	30		FDEDRO
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCC[NH+]2CCCCCC2)n1	ZINC000091194018	172276815	/nfs/dbraw/zinc/27/68/15/172276815.db2.gz	SUUAVWFIXKGHNK-UHFFFAOYSA-N	1	0	360.462	1.440	20	30		FDEDRO
C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(C#N)cc1	ZINC000102046911	172344593	/nfs/dbraw/zinc/34/45/93/172344593.db2.gz	DUNZOUMFSPBJCE-MAUKXSAKSA-N	1	0	371.485	1.861	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N(C)Cc1ccc(C#N)cc1	ZINC000102049526	172345743	/nfs/dbraw/zinc/34/57/43/172345743.db2.gz	OKDWSUZGJNLSFP-SFHVURJKSA-N	1	0	371.485	1.642	20	30		FDEDRO
CCNC(=O)CCCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000104138168	172375974	/nfs/dbraw/zinc/37/59/74/172375974.db2.gz	RVUVKHDXRKCULU-UHFFFAOYSA-N	1	0	356.470	1.899	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1	ZINC000127446726	173077199	/nfs/dbraw/zinc/07/71/99/173077199.db2.gz	YGLPWYBJSBGNGG-ROUUACIJSA-N	1	0	370.453	1.381	20	30		FDEDRO
Cc1oc(NC(=O)[C@@H](C)N2CC[C@H](C[NH+]3CCOCC3)C2)c(C#N)c1C	ZINC000129147287	173129548	/nfs/dbraw/zinc/12/95/48/173129548.db2.gz	DRMDFZPCVWIEJZ-GDBMZVCRSA-N	1	0	360.458	1.749	20	30		FDEDRO
CN1CC[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1=O	ZINC000129995413	173156655	/nfs/dbraw/zinc/15/66/55/173156655.db2.gz	NSPIAGDZXNTCFF-KRWDZBQOSA-N	1	0	355.442	1.006	20	30		FDEDRO
CC(=O)N1CC[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1	ZINC000134202480	173320399	/nfs/dbraw/zinc/32/03/99/173320399.db2.gz	MFJZNDCXNJQWEM-LJQANCHMSA-N	1	0	369.469	1.396	20	30		FDEDRO
CC(C)NS(=O)(=O)[C@H]1CC[N@H+](CCCOc2ccc(C#N)cc2)C1	ZINC000134303167	173322077	/nfs/dbraw/zinc/32/20/77/173322077.db2.gz	HSWRRWVRWCCGSU-KRWDZBQOSA-N	1	0	351.472	1.729	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNS(=O)(=O)c2cccc(C#N)c2)ccn1	ZINC000135089191	173338466	/nfs/dbraw/zinc/33/84/66/173338466.db2.gz	BWKBEDHEMRMQSH-UHFFFAOYSA-N	1	0	360.439	1.372	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000136949067	173366629	/nfs/dbraw/zinc/36/66/29/173366629.db2.gz	AABMQLCNJXNQJZ-JKSUJKDBSA-N	1	0	357.454	1.943	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000136948993	173366697	/nfs/dbraw/zinc/36/66/97/173366697.db2.gz	AABMQLCNJXNQJZ-HOTGVXAUSA-N	1	0	357.454	1.943	20	30		FDEDRO
C[NH+](C)CCCOC1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)CC1	ZINC000176336669	174065461	/nfs/dbraw/zinc/06/54/61/174065461.db2.gz	CHHWOPFBKYWPSV-UHFFFAOYSA-N	1	0	358.442	1.456	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1	ZINC000177109267	174106086	/nfs/dbraw/zinc/10/60/86/174106086.db2.gz	NNYPBAIYLFFPQF-WBMJQRKESA-N	1	0	366.469	1.892	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@@H](N2CC[NH+](C3CCOCC3)CC2)C1=O	ZINC000177180021	174111033	/nfs/dbraw/zinc/11/10/33/174111033.db2.gz	DBPOIOXCBQPEHS-MRXNPFEDSA-N	1	0	360.483	1.522	20	30		FDEDRO
Cc1sc(NC(=O)CN2CC[NH+](C3CCOCC3)CC2)c(C#N)c1C	ZINC000177365775	174124830	/nfs/dbraw/zinc/12/48/30/174124830.db2.gz	IWTDPEAYRKITNS-UHFFFAOYSA-N	1	0	362.499	1.972	20	30		FDEDRO
N#Cc1cc(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c[nH]1	ZINC000181212670	174211598	/nfs/dbraw/zinc/21/15/98/174211598.db2.gz	GDFOVTWMUWNKAJ-UHFFFAOYSA-N	1	0	357.458	1.341	20	30		FDEDRO
CC[C@@H](CO)[NH+]1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC1	ZINC000179410836	258349979	/nfs/dbraw/zinc/34/99/79/258349979.db2.gz	RYQLJJRDSKIDRO-KRWDZBQOSA-N	1	0	372.469	1.582	20	30		FDEDRO
Cn1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1=O	ZINC000173539123	258302260	/nfs/dbraw/zinc/30/22/60/258302260.db2.gz	CUBNLMWRSIJZFR-UHFFFAOYSA-N	1	0	365.437	1.997	20	30		FDEDRO
CC[C@@H](CO)[NH+]1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000173740069	258309130	/nfs/dbraw/zinc/30/91/30/258309130.db2.gz	ZONVYMMRKBWLAH-HNNXBMFYSA-N	1	0	350.850	1.539	20	30		FDEDRO
C[C@H]([NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1)c1ccc(C#N)cc1	ZINC000174125707	258319384	/nfs/dbraw/zinc/31/93/84/258319384.db2.gz	XLHDHBOLYVMZKW-AWEZNQCLSA-N	1	0	373.482	1.796	20	30		FDEDRO
Cc1c(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cnn1C	ZINC000179334417	258348438	/nfs/dbraw/zinc/34/84/38/258348438.db2.gz	JYLAKMJFELBRCF-UHFFFAOYSA-N	1	0	354.458	1.874	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3C[N@H+](C(C)C)C[C@@H]3C)CC2)o1	ZINC000193505650	258393599	/nfs/dbraw/zinc/39/35/99/258393599.db2.gz	IURLQQYGMYWPQZ-GUYCJALGSA-N	1	0	359.474	1.916	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cc(C#N)cn3C(C)(C)C)[C@H]2C1	ZINC000279409297	258553866	/nfs/dbraw/zinc/55/38/66/258553866.db2.gz	NNSYZEDJTDKUEF-GJZGRUSLSA-N	1	0	357.458	1.606	20	30		FDEDRO
CC[NH+]1CCN(CC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)CC1	ZINC000553209707	543588017	/nfs/dbraw/zinc/58/80/17/543588017.db2.gz	WUPXLBGRBRIMJG-UHFFFAOYSA-N	1	0	374.460	1.705	20	30		FDEDRO
N#Cc1ccc(NCC(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)nc1	ZINC000553382726	543622903	/nfs/dbraw/zinc/62/29/03/543622903.db2.gz	VWIROGIJZMHTIK-UHFFFAOYSA-N	1	0	365.437	1.961	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCC23CCOCC3)CC1	ZINC000553397185	543626808	/nfs/dbraw/zinc/62/68/08/543626808.db2.gz	NBFHZQBSBLUCHM-QGZVFWFLSA-N	1	0	363.502	1.609	20	30		FDEDRO
N#Cc1ccccc1CSCC[NH2+]C1CCC2(CC1)NC(=O)NC2=O	ZINC000553543750	543655102	/nfs/dbraw/zinc/65/51/02/543655102.db2.gz	NGYZPRAOZKQGAG-UHFFFAOYSA-N	1	0	358.467	1.902	20	30		FDEDRO
C[C@]1(CNC(=O)C(=O)NCCCCC#N)CCC[N@@H+]1Cc1ccccc1	ZINC000553611557	543669022	/nfs/dbraw/zinc/66/90/22/543669022.db2.gz	NUYOAFXSSDYPGY-HXUWFJFHSA-N	1	0	356.470	1.967	20	30		FDEDRO
CC1CC[NH+](Cc2cccc(CNC(=O)NCC(=O)NCC#N)c2)CC1	ZINC000553871592	543708794	/nfs/dbraw/zinc/70/87/94/543708794.db2.gz	LKJFOIUSLHUAEE-UHFFFAOYSA-N	1	0	357.458	1.357	20	30		FDEDRO
C[C@@H]1OCC[C@]1(O)C[N@H+](CC(=O)NC1(C#N)CCC1)Cc1ccccc1	ZINC000554251989	543768889	/nfs/dbraw/zinc/76/88/89/543768889.db2.gz	XOWHZJYJLCHROL-JXFKEZNVSA-N	1	0	357.454	1.591	20	30		FDEDRO
CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000555170389	543921591	/nfs/dbraw/zinc/92/15/91/543921591.db2.gz	PTEOIKPVHAUCRS-MRXNPFEDSA-N	1	0	358.490	1.905	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1	ZINC000555860090	544042354	/nfs/dbraw/zinc/04/23/54/544042354.db2.gz	UTPKVYAHXMNABZ-DOTOQJQBSA-N	1	0	351.491	1.320	20	30		FDEDRO
COC1CC[NH+](C2(CNC(=O)C(=O)NCCCCC#N)CCCC2)CC1	ZINC000557687879	544330720	/nfs/dbraw/zinc/33/07/20/544330720.db2.gz	RSOZRCMGBBBIES-UHFFFAOYSA-N	1	0	364.490	1.336	20	30		FDEDRO
CCC[N@H+](C)[C@H](CNC(=O)NCC(=O)NCC#N)c1ccc(Cl)cc1	ZINC000558107388	544385714	/nfs/dbraw/zinc/38/57/14/544385714.db2.gz	MXYAELQLYMPVQC-OAHLLOKOSA-N	1	0	365.865	1.662	20	30		FDEDRO
CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCN(c2cnccc2C#N)CC1	ZINC000559064823	544583501	/nfs/dbraw/zinc/58/35/01/544583501.db2.gz	PYNZTLXPCBSYBB-MRXNPFEDSA-N	1	0	358.490	1.905	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](n2cc(CO)nn2)C1	ZINC000559307203	544638365	/nfs/dbraw/zinc/63/83/65/544638365.db2.gz	RCKJUCHFTPLEPY-INIZCTEOSA-N	1	0	354.414	1.308	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)C1	ZINC000559441989	544686226	/nfs/dbraw/zinc/68/62/26/544686226.db2.gz	OTGLCOBDXFPTPM-YJBOKZPZSA-N	1	0	372.469	1.208	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCO[C@@H](C(C)C)C2)CC1	ZINC000559496394	544705988	/nfs/dbraw/zinc/70/59/88/544705988.db2.gz	WFQLDVZBXOTESV-ZWKOTPCHSA-N	1	0	350.507	1.426	20	30		FDEDRO
C[C@H](C#N)CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1	ZINC000560382265	544987018	/nfs/dbraw/zinc/98/70/18/544987018.db2.gz	SJDMFNRQKLMALV-LZQZEXGQSA-N	1	0	351.454	1.912	20	30		FDEDRO
N#Cc1cc2c(nc1N1CCC([N@H+]3CCC[C@H]3C(N)=O)CC1)CCCC2	ZINC000301948515	259036829	/nfs/dbraw/zinc/03/68/29/259036829.db2.gz	IAAOJXYDTVWJEQ-SFHVURJKSA-N	1	0	353.470	1.751	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@@H]1[NH+](C)C	ZINC000330755077	259161019	/nfs/dbraw/zinc/16/10/19/259161019.db2.gz	FWWSGJLOQKXGGT-STQMWFEESA-N	1	0	359.904	1.878	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O)C(=O)Nc1cccc(C#N)c1	ZINC000331207828	259181152	/nfs/dbraw/zinc/18/11/52/259181152.db2.gz	ZDHYPRDGOIMFFK-MAZHCROVSA-N	1	0	364.471	1.335	20	30		FDEDRO
CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)s1	ZINC000331820421	259222043	/nfs/dbraw/zinc/22/20/43/259222043.db2.gz	PHVAOFKOVNOLIR-AAEUAGOBSA-N	1	0	360.483	1.924	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1	ZINC000332086367	259240257	/nfs/dbraw/zinc/24/02/57/259240257.db2.gz	RGQPQIPAMGPJOY-HNNXBMFYSA-N	1	0	360.433	1.314	20	30		FDEDRO
CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)s1	ZINC000332192914	259248528	/nfs/dbraw/zinc/24/85/28/259248528.db2.gz	UQYQUSWPUHNFBC-YPMHNXCESA-N	1	0	360.483	1.924	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCCO[C@@H](C[NH3+])C2)cc1Br	ZINC000332236671	259251643	/nfs/dbraw/zinc/25/16/43/259251643.db2.gz	RUTJSWYPGJGGKO-NSHDSACASA-N	1	0	374.260	1.059	20	30		FDEDRO
C[NH+](C)C1CCC(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1	ZINC000332528838	259274084	/nfs/dbraw/zinc/27/40/84/259274084.db2.gz	UJUMYLRWGWCOOV-UHFFFAOYSA-N	1	0	356.474	1.658	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C[C@H](C)[NH2+]1	ZINC000332529476	259274132	/nfs/dbraw/zinc/27/41/32/259274132.db2.gz	GOZROZXUQHQAAI-GASCZTMLSA-N	1	0	352.438	1.383	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)C3(c4ccc(C#N)cc4)CC3)CC2)C1=O	ZINC000333465875	259351139	/nfs/dbraw/zinc/35/11/39/259351139.db2.gz	MSHGSQWRSZBKNF-GOSISDBHSA-N	1	0	366.465	1.401	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000333562340	259360120	/nfs/dbraw/zinc/36/01/20/259360120.db2.gz	LMWDFJZNZPXXAN-COXVUDFISA-N	1	0	355.442	1.351	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)NCCC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000365922446	259889167	/nfs/dbraw/zinc/88/91/67/259889167.db2.gz	USFHNQYWVQUYTE-UHFFFAOYSA-N	1	0	357.502	1.823	20	30		FDEDRO
N#Cc1ccc(S(N)(=O)=O)cc1NC1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000367442734	260042813	/nfs/dbraw/zinc/04/28/13/260042813.db2.gz	KJEXYAHJPJVQOH-ZDUSSCGKSA-N	1	0	364.471	1.118	20	30		FDEDRO
N#Cc1cc(N2CCC(CC[NH+]3CCOCC3)CC2)cc(N)c1[N+](=O)[O-]	ZINC000367641793	260072414	/nfs/dbraw/zinc/07/24/14/260072414.db2.gz	GVNSUEPDTMFYRF-UHFFFAOYSA-N	1	0	359.430	1.987	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCc3ccccc3OC2)nc1	ZINC000367992991	260120570	/nfs/dbraw/zinc/12/05/70/260120570.db2.gz	HNWZPXRMHDHJRY-INIZCTEOSA-N	1	0	357.435	1.710	20	30		FDEDRO
CN(CC(=O)NCc1ccc(C#N)cc1)C1CC[NH+](C2CCOCC2)CC1	ZINC000368858133	260249721	/nfs/dbraw/zinc/24/97/21/260249721.db2.gz	BPFLNWFAGOLVQS-UHFFFAOYSA-N	1	0	370.497	1.750	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@H]1CCO[C@H]1C1CC1	ZINC000368904264	260257979	/nfs/dbraw/zinc/25/79/79/260257979.db2.gz	JATXASJBRRITSQ-WMZOPIPTSA-N	1	0	351.410	1.840	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000369373510	260351063	/nfs/dbraw/zinc/35/10/63/260351063.db2.gz	PNXNPXZBZDOSGD-GOSISDBHSA-N	1	0	355.486	1.868	20	30		FDEDRO
C[C@@H]1Cc2ccccc2N1C(=O)C[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000369389889	260356105	/nfs/dbraw/zinc/35/61/05/260356105.db2.gz	UICYMXLZBKVOIS-CQSZACIVSA-N	1	0	350.426	1.764	20	30		FDEDRO
C[C@H](C(=O)NCCc1cccs1)[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000373411422	261008428	/nfs/dbraw/zinc/00/84/28/261008428.db2.gz	GTEKTKDVZAFQTO-CYBMUJFWSA-N	1	0	358.471	1.596	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)N1CCC(n2cnc(C#N)n2)CC1)c1ccccc1	ZINC000373445003	261011219	/nfs/dbraw/zinc/01/12/19/261011219.db2.gz	ZCMIRVWOTZBHGG-QGZVFWFLSA-N	1	0	367.457	1.799	20	30		FDEDRO
Cn1cc(C[N@@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)c(-c2ccc(C#N)cc2)n1	ZINC000373968078	261059269	/nfs/dbraw/zinc/05/92/69/261059269.db2.gz	JPNBZQPSDMUQAL-IAGOWNOFSA-N	1	0	351.410	1.048	20	30		FDEDRO
Cn1cc(C[N@@H+]2CC[C@@H]3OCC(=O)N[C@@H]3C2)c(-c2ccc(C#N)cc2)n1	ZINC000373968080	261059300	/nfs/dbraw/zinc/05/93/00/261059300.db2.gz	JPNBZQPSDMUQAL-SJORKVTESA-N	1	0	351.410	1.048	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1	ZINC000374103839	261079354	/nfs/dbraw/zinc/07/93/54/261079354.db2.gz	BSAOINPKRFYDJY-IBGZPJMESA-N	1	0	372.425	1.256	20	30		FDEDRO
C[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)C(=O)Nc1cccc(C#N)c1	ZINC000374219197	261095697	/nfs/dbraw/zinc/09/56/97/261095697.db2.gz	HVPIYXNNPWQARV-PBHICJAKSA-N	1	0	350.426	1.934	20	30		FDEDRO
C[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)C(=O)Nc1cccc(C#N)c1	ZINC000374219204	261095939	/nfs/dbraw/zinc/09/59/39/261095939.db2.gz	HVPIYXNNPWQARV-YOEHRIQHSA-N	1	0	350.426	1.934	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CCN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)C[C@@H]21	ZINC000375033639	261253757	/nfs/dbraw/zinc/25/37/57/261253757.db2.gz	XAYATMDLOGQHLQ-YJBOKZPZSA-N	1	0	364.453	1.708	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[NH+]1CCC2(CC1)SCC(=O)N2C	ZINC000378619141	262055668	/nfs/dbraw/zinc/05/56/68/262055668.db2.gz	IDQNLOGXYUIFAI-UHFFFAOYSA-N	1	0	361.467	1.943	20	30		FDEDRO
Cc1cc(NC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)c(C#N)cc1N(C)C	ZINC000408472543	262112957	/nfs/dbraw/zinc/11/29/57/262112957.db2.gz	VSURIGIHJMTKOA-ZWKOTPCHSA-N	1	0	357.458	1.870	20	30		FDEDRO
CC[C@@H]1CN(C(=O)[C@H](C)n2cnc(C#N)n2)CC[N@@H+]1Cc1ccccc1	ZINC000409927867	262146124	/nfs/dbraw/zinc/14/61/24/262146124.db2.gz	VGPPDVQPNRRXHQ-DOTOQJQBSA-N	1	0	352.442	1.834	20	30		FDEDRO
C[C@@H](C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)n1cnc(C#N)n1	ZINC000409957244	262148266	/nfs/dbraw/zinc/14/82/66/262148266.db2.gz	PTPSONHKBWNXFO-HNAYVOBHSA-N	1	0	352.442	1.882	20	30		FDEDRO
CCCC(=O)N1CSC[C@H]1C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N	ZINC000534792319	490410489	/nfs/dbraw/zinc/41/04/89/490410489.db2.gz	QCSWVBUMFQSQLE-ZDUSSCGKSA-N	1	0	364.475	1.073	20	30		FDEDRO
C[NH+](C)CCOc1ccc(NC(=O)C(=O)Nc2ccn(CCC#N)n2)cc1	ZINC000527350314	490718844	/nfs/dbraw/zinc/71/88/44/490718844.db2.gz	GTTSTMUOMJUYMA-UHFFFAOYSA-N	1	0	370.413	1.314	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)n1	ZINC000540266510	490812140	/nfs/dbraw/zinc/81/21/40/490812140.db2.gz	DOBVCQBPQFQTBL-OAHLLOKOSA-N	1	0	372.473	1.464	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3c(c2)N(C)C(=O)CO3)c1C#N	ZINC000530260718	490895655	/nfs/dbraw/zinc/89/56/55/490895655.db2.gz	CBMLEAISIARODL-UHFFFAOYSA-N	1	0	368.397	1.041	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccnc(O[C@H]3CCOC3)c2)c1C#N	ZINC000544593275	490973011	/nfs/dbraw/zinc/97/30/11/490973011.db2.gz	GRJDSFAWJCHKTM-ZDUSSCGKSA-N	1	0	370.413	1.248	20	30		FDEDRO
Cc1cc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)ncc1C#N	ZINC000603118758	492015623	/nfs/dbraw/zinc/01/56/23/492015623.db2.gz	JKUAFQFSEMHKOX-HNNXBMFYSA-N	1	0	356.430	1.032	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000022086031	518892536	/nfs/dbraw/zinc/89/25/36/518892536.db2.gz	KUQOTSJMNIOBQT-GJZGRUSLSA-N	1	0	361.442	1.561	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H](c2ccccc2)N2CCOCC2)CC1	ZINC000057154890	522015927	/nfs/dbraw/zinc/01/59/27/522015927.db2.gz	WOBHSWHVXQYKHY-HXUWFJFHSA-N	1	0	355.482	1.521	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CCCCNC3=O)CC2)cc1	ZINC000045669140	522133436	/nfs/dbraw/zinc/13/34/36/522133436.db2.gz	PHUDMWQBSVGASH-SFHVURJKSA-N	1	0	369.469	1.444	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cnc2n(c1=O)CCS2)C(C)C	ZINC000046049211	522211923	/nfs/dbraw/zinc/21/19/23/522211923.db2.gz	VBMDLXIEWNHHRD-HNNXBMFYSA-N	1	0	362.499	1.777	20	30		FDEDRO
CC(C)CC[N@H+](CCC#N)CCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000072692046	522360718	/nfs/dbraw/zinc/36/07/18/522360718.db2.gz	ZKIOJGIIQIZOAR-UHFFFAOYSA-N	1	0	366.487	1.924	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)c1	ZINC000046861385	522372295	/nfs/dbraw/zinc/37/22/95/522372295.db2.gz	GNPHAQUZCPXWHI-OAHLLOKOSA-N	1	0	363.483	1.060	20	30		FDEDRO
CC[C@@H](CO)[NH+]1CCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1	ZINC000072797379	522384403	/nfs/dbraw/zinc/38/44/03/522384403.db2.gz	KWIIBLHGKRCBFJ-NRGCRIOASA-N	1	0	364.534	1.694	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1	ZINC000073118918	522470720	/nfs/dbraw/zinc/47/07/20/522470720.db2.gz	DKZNYHHJEZOJMW-MRXNPFEDSA-N	1	0	374.441	1.520	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@@]2(CNC(=O)C2)C1)C(C)C	ZINC000073710733	522591651	/nfs/dbraw/zinc/59/16/51/522591651.db2.gz	HITQEHVMZBTOSP-FXAWDEMLSA-N	1	0	362.518	1.997	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN(c2cnn(C)c2)CC1)C(C)C	ZINC000074853173	522846020	/nfs/dbraw/zinc/84/60/20/522846020.db2.gz	FLZVHUCGLYAJIK-IBGZPJMESA-N	1	0	374.533	1.950	20	30		FDEDRO
CC[NH+]=C(NC[C@](C)(O)c1ccco1)N1CCN(c2ncccn2)CC1	ZINC000075023370	522870811	/nfs/dbraw/zinc/87/08/11/522870811.db2.gz	WWXVXLIHYBRHQO-SFHVURJKSA-N	1	0	358.446	1.065	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)CC1	ZINC000050033510	522881104	/nfs/dbraw/zinc/88/11/04/522881104.db2.gz	KTJMXQMSDMZHMV-IBGZPJMESA-N	1	0	354.410	1.025	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCCC1	ZINC000050172317	522896878	/nfs/dbraw/zinc/89/68/78/522896878.db2.gz	VKGMKCVYSGALFV-INIZCTEOSA-N	1	0	358.442	1.742	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)N1CCCCC1	ZINC000065975189	522932286	/nfs/dbraw/zinc/93/22/86/522932286.db2.gz	MOGDRJZMMIYPJL-UHFFFAOYSA-N	1	0	350.488	1.653	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(NC(C)=O)CC2)c(OC)c1	ZINC000050989731	522956626	/nfs/dbraw/zinc/95/66/26/522956626.db2.gz	VZNWTLRJWLEILB-SFHVURJKSA-N	1	0	362.470	1.764	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)NCc3ccc(C#N)cc3)CC2)CC1	ZINC000051273813	523005523	/nfs/dbraw/zinc/00/55/23/523005523.db2.gz	KQCSFCNTKRFEKB-UHFFFAOYSA-N	1	0	355.486	1.916	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)CC1	ZINC000076316346	523075482	/nfs/dbraw/zinc/07/54/82/523075482.db2.gz	WGMJNZGZHHWFQV-UHFFFAOYSA-N	1	0	370.457	1.905	20	30		FDEDRO
CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1CCOc1cccc(C#N)c1	ZINC000052134738	523126733	/nfs/dbraw/zinc/12/67/33/523126733.db2.gz	IHZCDQMSNXPHFI-INIZCTEOSA-N	1	0	351.472	1.731	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C(=O)NCC)ccc2C)CC1	ZINC000076526415	523129533	/nfs/dbraw/zinc/12/95/33/523129533.db2.gz	XZLWSQUNNILBLU-UHFFFAOYSA-N	1	0	372.469	1.450	20	30		FDEDRO
C=CCCC[N@@H+](C)CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1	ZINC000076738483	523183269	/nfs/dbraw/zinc/18/32/69/523183269.db2.gz	IQLBXIMPJAUKSH-UHFFFAOYSA-N	1	0	359.470	1.673	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CCCC1	ZINC000052498855	523186554	/nfs/dbraw/zinc/18/65/54/523186554.db2.gz	VIQCJOQJWLJKIF-UHFFFAOYSA-N	1	0	356.474	1.659	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](C)c2cccc(S(=O)(=O)NC)c2)CC1	ZINC000066748602	523188482	/nfs/dbraw/zinc/18/84/82/523188482.db2.gz	UZDPSAVRQJXMQT-CQSZACIVSA-N	1	0	363.483	1.117	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(CC[NH+]2CCCC2)CC1	ZINC000052850922	523286718	/nfs/dbraw/zinc/28/67/18/523286718.db2.gz	JMKAYKFAGXDBEP-QGZVFWFLSA-N	1	0	356.470	1.566	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1	ZINC000067368531	523407947	/nfs/dbraw/zinc/40/79/47/523407947.db2.gz	NUQXRKNVLIKJKP-UHFFFAOYSA-N	1	0	370.453	1.982	20	30		FDEDRO
O=C(NCC[NH+]1CCCC1)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000077769788	523456767	/nfs/dbraw/zinc/45/67/67/523456767.db2.gz	POOKDLNNJKHQGF-UHFFFAOYSA-N	1	0	362.433	1.632	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)CC1	ZINC000077830594	523481985	/nfs/dbraw/zinc/48/19/85/523481985.db2.gz	CRGCFKFRFBVJRZ-UHFFFAOYSA-N	1	0	356.430	1.372	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2cccc(CN3CCO[C@H](C)C3)c2)CC1	ZINC000067846065	523608981	/nfs/dbraw/zinc/60/89/81/523608981.db2.gz	IVAQCZRPPZDXMZ-GOSISDBHSA-N	1	0	369.509	1.869	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc3c(c2)C(=O)N(CC2CC2)C3=O)CC1	ZINC000068040006	523673522	/nfs/dbraw/zinc/67/35/22/523673522.db2.gz	BLROGQLWZZMDPL-UHFFFAOYSA-N	1	0	365.433	1.976	20	30		FDEDRO
C[C@H](Sc1nncn1C)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000068310128	523754539	/nfs/dbraw/zinc/75/45/39/523754539.db2.gz	GUVRRHJCBIDJDD-AWEZNQCLSA-N	1	0	372.498	1.758	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1	ZINC000079548628	523764398	/nfs/dbraw/zinc/76/43/98/523764398.db2.gz	KBRMPTWJTWCGGW-IAGOWNOFSA-N	1	0	354.458	1.412	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CNS(=O)(=O)c2ccc(C#N)cc2)cc1	ZINC000055246499	523778863	/nfs/dbraw/zinc/77/88/63/523778863.db2.gz	KZJSCQZMUAIUAU-UHFFFAOYSA-N	1	0	359.451	1.977	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1	ZINC000068498211	523803505	/nfs/dbraw/zinc/80/35/05/523803505.db2.gz	WLKCBFHAEBHVRW-HNNXBMFYSA-N	1	0	372.469	1.242	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2ccn(-c3ccc(OC)cc3)n2)CC1	ZINC000068714436	523849201	/nfs/dbraw/zinc/84/92/01/523849201.db2.gz	KBFSCXCCBMLTMU-UHFFFAOYSA-N	1	0	352.438	1.842	20	30		FDEDRO
C[C@@H]1C[C@@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)CC[N@@H+]1Cc1ccccc1	ZINC000080230881	523853673	/nfs/dbraw/zinc/85/36/73/523853673.db2.gz	HJABIESISIXLLO-ZBFHGGJFSA-N	1	0	367.453	1.421	20	30		FDEDRO
C[NH+]=C(NCCc1c[nH]c2cc(F)ccc12)NC[C@H]1CCS(=O)(=O)C1	ZINC000080622998	523893897	/nfs/dbraw/zinc/89/38/97/523893897.db2.gz	VSZUBXCEWUTKBV-GFCCVEGCSA-N	1	0	366.462	1.449	20	30		FDEDRO
COc1cc(C#N)ccc1C[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1	ZINC000121014835	524125550	/nfs/dbraw/zinc/12/55/50/524125550.db2.gz	OWFWGAYRBSBMMD-UHFFFAOYSA-N	1	0	367.453	1.942	20	30		FDEDRO
CC#CCNC(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1	ZINC000135335450	524128250	/nfs/dbraw/zinc/12/82/50/524128250.db2.gz	AQVVSEFEHOGYKV-UHFFFAOYSA-N	1	0	359.470	1.999	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)Cc2ccc(OCC#N)cc2)CC1	ZINC000110714805	524128547	/nfs/dbraw/zinc/12/85/47/524128547.db2.gz	FQZKQZSRTCBPCV-UHFFFAOYSA-N	1	0	372.469	1.144	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1	ZINC000081751465	524177883	/nfs/dbraw/zinc/17/78/83/524177883.db2.gz	FSMWNGQRFWDVFS-UHFFFAOYSA-N	1	0	353.426	1.118	20	30		FDEDRO
C=CCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1	ZINC000121213825	524188899	/nfs/dbraw/zinc/18/88/99/524188899.db2.gz	XSJJPYUUFNVIKL-UHFFFAOYSA-N	1	0	365.499	1.254	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[NH+](CC2CCOCC2)CC1	ZINC000172458806	524225125	/nfs/dbraw/zinc/22/51/25/524225125.db2.gz	JCJJKYYZQNBVDH-MRXNPFEDSA-N	1	0	357.454	1.896	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(CC(=O)NC2(C#N)CCCCC2)CC1	ZINC000111230877	524228591	/nfs/dbraw/zinc/22/85/91/524228591.db2.gz	RQXQFZAKDIXOLQ-GOSISDBHSA-N	1	0	361.534	1.431	20	30		FDEDRO
C[N@H+](CCN1CCN(S(=O)(=O)CCCC#N)CC1)Cc1ccccc1	ZINC000111340307	524265050	/nfs/dbraw/zinc/26/50/50/524265050.db2.gz	DEROKACROMIQND-UHFFFAOYSA-N	1	0	364.515	1.370	20	30		FDEDRO
C[NH+](C)Cc1cccc(NC(=O)C(=O)NCCOc2ccc(C#N)cc2)c1	ZINC000173226072	524348141	/nfs/dbraw/zinc/34/81/41/524348141.db2.gz	MLBOIEQVCIGYFQ-UHFFFAOYSA-N	1	0	366.421	1.754	20	30		FDEDRO
CC(C)[N@H+](C)CC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000144773751	524393850	/nfs/dbraw/zinc/39/38/50/524393850.db2.gz	HPXATNSNDBUWPZ-UHFFFAOYSA-N	1	0	354.458	1.715	20	30		FDEDRO
C[NH+]=C(NCc1cnc(N(C)C)n1C)N1CCN(c2ccccc2)CC1	ZINC000086990447	524403593	/nfs/dbraw/zinc/40/35/93/524403593.db2.gz	JFEIODCOGVZYFW-UHFFFAOYSA-N	1	0	355.490	1.384	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cnn(-c2ccccc2)c1	ZINC000122122426	524456216	/nfs/dbraw/zinc/45/62/16/524456216.db2.gz	YNPXMZBBZJYNBV-UHFFFAOYSA-N	1	0	368.441	1.505	20	30		FDEDRO
CCCC[N@H+](C)CCNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1	ZINC000112308673	524456926	/nfs/dbraw/zinc/45/69/26/524456926.db2.gz	GDDCOHWAXZBNKS-UHFFFAOYSA-N	1	0	366.487	1.259	20	30		FDEDRO
Cc1nc2ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc2o1	ZINC000122146264	524461904	/nfs/dbraw/zinc/46/19/04/524461904.db2.gz	GTNYLUSDCWAOTG-UHFFFAOYSA-N	1	0	357.414	1.769	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(S(N)(=O)=O)c(C)o1)C(C)C	ZINC000088676839	524465376	/nfs/dbraw/zinc/46/53/76/524465376.db2.gz	IXVBAOPSUKYQNF-AWEZNQCLSA-N	1	0	369.487	1.664	20	30		FDEDRO
C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1C#N)CN1CC[NH+](C)CC1	ZINC000122254928	524492646	/nfs/dbraw/zinc/49/26/46/524492646.db2.gz	USADEYMVRJHWET-ZDUSSCGKSA-N	1	0	370.906	1.373	20	30		FDEDRO
C[NH+]=C(NC[C@H](C)c1c(C)noc1C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158599921	524497888	/nfs/dbraw/zinc/49/78/88/524497888.db2.gz	OYBUWYCKWSPACK-NSHDSACASA-N	1	0	356.492	1.479	20	30		FDEDRO
CCc1nc(CCNC(=[NH+]C)N2CCS(=O)(=O)C(C)(C)C2)cs1	ZINC000158623748	524501866	/nfs/dbraw/zinc/50/18/66/524501866.db2.gz	UFDWAXARIGGRJK-UHFFFAOYSA-N	1	0	358.533	1.332	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1	ZINC000122354190	524516421	/nfs/dbraw/zinc/51/64/21/524516421.db2.gz	HRFKMXXWEFGTFZ-QAPCUYQASA-N	1	0	355.438	1.580	20	30		FDEDRO
N#Cc1ccnc(NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1[N+](=O)[O-]	ZINC000089645023	524516791	/nfs/dbraw/zinc/51/67/91/524516791.db2.gz	AJRJRZFDIBIRCA-HZPDHXFCSA-N	1	0	353.382	1.909	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cn(-c3cccc(C)c3)nn2)c1C#N	ZINC000089674818	524519762	/nfs/dbraw/zinc/51/97/62/524519762.db2.gz	XYWDGHXXJGTEFV-UHFFFAOYSA-N	1	0	364.413	1.575	20	30		FDEDRO
CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)C1	ZINC000089676792	524520150	/nfs/dbraw/zinc/52/01/50/524520150.db2.gz	YMZXZXTXUMVYTG-UONOGXRCSA-N	1	0	374.489	1.657	20	30		FDEDRO
N#CCOc1cccc(CC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1	ZINC000089825633	524532605	/nfs/dbraw/zinc/53/26/05/524532605.db2.gz	YXCGNCWGSHYOJY-GOSISDBHSA-N	1	0	357.454	1.702	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)CN(C)CCN1C(=O)c2ccccc2C1=O	ZINC000158900588	524549862	/nfs/dbraw/zinc/54/98/62/524549862.db2.gz	SSOFJRRRZHZLLL-LJQANCHMSA-N	1	0	356.426	1.269	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1	ZINC000151459937	524581320	/nfs/dbraw/zinc/58/13/20/524581320.db2.gz	BIZWLCNTBHRMFE-UHFFFAOYSA-N	1	0	361.471	1.660	20	30		FDEDRO
C#CCCCCNC(=O)C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000159081412	524588395	/nfs/dbraw/zinc/58/83/95/524588395.db2.gz	KPGGERHPZZWMMT-UHFFFAOYSA-N	1	0	370.497	1.682	20	30		FDEDRO
C[NH+]=C(NCc1ccc(Cl)cc1)N[C@@H]1CCc2nc(COC)nn2C1	ZINC000159130080	524600563	/nfs/dbraw/zinc/60/05/63/524600563.db2.gz	NSHQSEQRCHZEDB-CQSZACIVSA-N	1	0	362.865	1.758	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1c(C)ccn(C)c1=O)C(C)C	ZINC000091194442	524657055	/nfs/dbraw/zinc/65/70/55/524657055.db2.gz	VPWLSQLVSYBIQB-INIZCTEOSA-N	1	0	374.485	1.447	20	30		FDEDRO
CCS(=O)(=O)NCC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000113329277	524671856	/nfs/dbraw/zinc/67/18/56/524671856.db2.gz	IEMQEJVEMUWYOW-UHFFFAOYSA-N	1	0	361.471	1.493	20	30		FDEDRO
CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@@H](C)C#N)c2)CC1	ZINC000091267377	524687096	/nfs/dbraw/zinc/68/70/96/524687096.db2.gz	RLRFURHYBYDBJB-HNNXBMFYSA-N	1	0	357.458	1.431	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1	ZINC000151856582	524705786	/nfs/dbraw/zinc/70/57/86/524705786.db2.gz	HPGWAHOACWPTFH-TZMCWYRMSA-N	1	0	359.401	1.518	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)Nc2cccc(C)c2C#N)CC1	ZINC000174770236	524729923	/nfs/dbraw/zinc/72/99/23/524729923.db2.gz	NPBVBDHPOUDGFD-OAHLLOKOSA-N	1	0	371.485	1.195	20	30		FDEDRO
CC[N@@H+]1CCCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1	ZINC000159809798	524744073	/nfs/dbraw/zinc/74/40/73/524744073.db2.gz	YUKGJOJPCILLSJ-UHFFFAOYSA-N	1	0	356.474	1.659	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3cccc(C)c3C#N)C2)CC1	ZINC000174846068	524759136	/nfs/dbraw/zinc/75/91/36/524759136.db2.gz	ZAPVCYPYBKXNCM-INIZCTEOSA-N	1	0	369.469	1.044	20	30		FDEDRO
C[C@H](CNC(=O)/C=C/c1ccc(OCC#N)cc1)C[NH+]1CCN(C)CC1	ZINC000114379817	524778613	/nfs/dbraw/zinc/77/86/13/524778613.db2.gz	STMSGSASIJVYFZ-ZGRWHYIRSA-N	1	0	356.470	1.602	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1C#N	ZINC000174940014	524806866	/nfs/dbraw/zinc/80/68/66/524806866.db2.gz	TUJDKFBRYTUVGM-OAHLLOKOSA-N	1	0	358.442	1.158	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C[N@@H+]1C1CC1	ZINC000123736878	524819676	/nfs/dbraw/zinc/81/96/76/524819676.db2.gz	YGMOHYHMXCNAHG-KKUMJFAQSA-N	1	0	369.473	1.194	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@@H](C)c3ccncc3)CC2)o1	ZINC000091986003	524823832	/nfs/dbraw/zinc/82/38/32/524823832.db2.gz	YIUWLJBJBXARPX-AWEZNQCLSA-N	1	0	368.441	1.591	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)NC2CC[NH+](C3CCCC3)CC2)cc1	ZINC000175003994	524830975	/nfs/dbraw/zinc/83/09/75/524830975.db2.gz	VOQPIMBWSMHRMV-UHFFFAOYSA-N	1	0	354.454	1.811	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1	ZINC000092803530	524917452	/nfs/dbraw/zinc/91/74/52/524917452.db2.gz	YVSJSMIZPJDVIT-MRXNPFEDSA-N	1	0	361.421	1.784	20	30		FDEDRO
CS(=O)(=O)NCCCNC(=[NH2+])Nc1ccccc1OC(F)(F)F	ZINC000160668136	524942083	/nfs/dbraw/zinc/94/20/83/524942083.db2.gz	AYVHLRUDULWQTH-UHFFFAOYSA-N	1	0	354.354	1.251	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)cn1	ZINC000115383604	524979762	/nfs/dbraw/zinc/97/97/62/524979762.db2.gz	XWODDWHNZOQFIJ-UHFFFAOYSA-N	1	0	369.469	1.408	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000152802682	525010309	/nfs/dbraw/zinc/01/03/09/525010309.db2.gz	ARXOBVVLMIFHMQ-NVXWUHKLSA-N	1	0	370.453	1.091	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC([N@H+](C)CCCO)CC1	ZINC000115549757	525018015	/nfs/dbraw/zinc/01/80/15/525018015.db2.gz	JMFPBAFWYDGQFF-INIZCTEOSA-N	1	0	350.507	1.496	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(C(=O)C2(Cc3ccccc3)CC2)CC1	ZINC000175879223	525023015	/nfs/dbraw/zinc/02/30/15/525023015.db2.gz	VWKGGZZUAPLWNW-UHFFFAOYSA-N	1	0	353.466	1.293	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1	ZINC000115586073	525031613	/nfs/dbraw/zinc/03/16/13/525031613.db2.gz	GGFARLFNBHHTAT-HNNXBMFYSA-N	1	0	365.499	1.565	20	30		FDEDRO
C[NH+]=C(NCCc1c(C)noc1C)N[C@@H]1CCc2nnc(C(C)C)n2C1	ZINC000176033815	525045665	/nfs/dbraw/zinc/04/56/65/525045665.db2.gz	GLDAEWRTTHQJCQ-CQSZACIVSA-N	1	0	359.478	1.729	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)[C@H](C)C1	ZINC000115891203	525085359	/nfs/dbraw/zinc/08/53/59/525085359.db2.gz	OMWODBYGJVMWOO-QAPCUYQASA-N	1	0	372.469	1.750	20	30		FDEDRO
C=CC1CCN(C(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CC1	ZINC000125064232	525132410	/nfs/dbraw/zinc/13/24/10/525132410.db2.gz	YYLOOJNZBYVNGP-UHFFFAOYSA-N	1	0	372.469	1.940	20	30		FDEDRO
C[C@H](CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1)C[NH+]1CCN(C)CC1	ZINC000153178518	525133407	/nfs/dbraw/zinc/13/34/07/525133407.db2.gz	GNDJTIVCUXCKSP-MRXNPFEDSA-N	1	0	371.485	1.214	20	30		FDEDRO
CN(CCC#N)c1ccc(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)cc1	ZINC000125139091	525149936	/nfs/dbraw/zinc/14/99/36/525149936.db2.gz	NAVQOCWNWMONLO-UHFFFAOYSA-N	1	0	350.488	1.504	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c(F)c1	ZINC000161699154	525153573	/nfs/dbraw/zinc/15/35/73/525153573.db2.gz	CRZIJBRSMQWPDK-CQSZACIVSA-N	1	0	355.435	1.213	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1nc2ccccc2s1	ZINC000153252882	525156546	/nfs/dbraw/zinc/15/65/46/525156546.db2.gz	QXIJUCPZBXLONH-UHFFFAOYSA-N	1	0	369.454	1.976	20	30		FDEDRO
C[C@H](C(=O)NCCc1ccc(F)cc1)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153276719	525164096	/nfs/dbraw/zinc/16/40/96/525164096.db2.gz	VVRQRFOUIFPPOV-CYBMUJFWSA-N	1	0	372.448	1.614	20	30		FDEDRO
CC[NH+]=C(NC[C@@H](O)c1ccc(C)cc1)N[C@@H]1CCc2nc(C)nn2C1	ZINC000153381705	525195850	/nfs/dbraw/zinc/19/58/50/525195850.db2.gz	ZGFRRLLUGXJXPE-IAGOWNOFSA-N	1	0	356.474	1.498	20	30		FDEDRO
C[C@@H]1C[NH+](C[C@H](O)CN2CCN([C@@H](C#N)c3ccccc3)CC2)C[C@@H](C)O1	ZINC000098144021	525210508	/nfs/dbraw/zinc/21/05/08/525210508.db2.gz	OOTTTXPCSFEOMU-UKAVVXHISA-N	1	0	372.513	1.339	20	30		FDEDRO
C#CCC[NH+]1CCN(Cc2nc3oc(C)c(C(=O)OCC)c3c(N)n2)CC1	ZINC000162118584	525216259	/nfs/dbraw/zinc/21/62/59/525216259.db2.gz	DKBTZXXFNZOUOH-UHFFFAOYSA-N	1	0	371.441	1.431	20	30		FDEDRO
CCN(CC(=O)c1c(N)n(CC)c(=O)[nH]c1=O)[C@@H](C)c1ccc(C#N)cc1	ZINC000125766599	525235128	/nfs/dbraw/zinc/23/51/28/525235128.db2.gz	ZJGYXUBJNRFPML-LBPRGKRZSA-N	1	0	369.425	1.276	20	30		FDEDRO
CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C#N	ZINC000125803086	525239548	/nfs/dbraw/zinc/23/95/48/525239548.db2.gz	DWTNXIDYGRNUOD-INIZCTEOSA-N	1	0	351.472	1.731	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CC2CC[NH+](C)CC2)c1	ZINC000103452836	525355284	/nfs/dbraw/zinc/35/52/84/525355284.db2.gz	NRULJQISUHHZOZ-UHFFFAOYSA-N	1	0	363.483	1.012	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000178101372	525383624	/nfs/dbraw/zinc/38/36/24/525383624.db2.gz	KNLDBLFYNSRCNE-GOSISDBHSA-N	1	0	373.501	1.527	20	30		FDEDRO
C=CCCOCCNC(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1	ZINC000127172551	525391652	/nfs/dbraw/zinc/39/16/52/525391652.db2.gz	BOQVLQABSIHLPL-KRWDZBQOSA-N	1	0	366.506	1.307	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NCC[N@@H+](C)[C@@H](C)CC)c1	ZINC000104103680	525394149	/nfs/dbraw/zinc/39/41/49/525394149.db2.gz	HPWKOBVMLGOPPJ-AWEZNQCLSA-N	1	0	353.488	1.611	20	30		FDEDRO
Cc1nc2ccccc2n1CCCNC(=[NH2+])NCCCN1CCOCC1	ZINC000104156023	525397607	/nfs/dbraw/zinc/39/76/07/525397607.db2.gz	JGSJNQYQSJLJSE-UHFFFAOYSA-N	1	0	358.490	1.361	20	30		FDEDRO
CCCNC(=[NH2+])NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1	ZINC000104154796	525398390	/nfs/dbraw/zinc/39/83/90/525398390.db2.gz	SOYDXYSQQXZLCI-HNNXBMFYSA-N	1	0	350.463	1.391	20	30		FDEDRO
CC[NH+](CC)[C@H](CNC(=O)Cn1cnc(C#N)n1)c1cccc(OC)c1	ZINC000178368812	525417561	/nfs/dbraw/zinc/41/75/61/525417561.db2.gz	OCJFBWXTFMQARL-MRXNPFEDSA-N	1	0	356.430	1.358	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2cccc(NC(C)=O)c2)CC1	ZINC000104711861	525427645	/nfs/dbraw/zinc/42/76/45/525427645.db2.gz	SQSSIDBFNYLXEF-CQSZACIVSA-N	1	0	372.469	1.986	20	30		FDEDRO
[NH2+]=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCCCN1CCOCC1	ZINC000178570316	525447644	/nfs/dbraw/zinc/44/76/44/525447644.db2.gz	LXLOFLMFZLNYQI-UHFFFAOYSA-N	1	0	363.462	1.544	20	30		FDEDRO
N#Cc1cccc(OC2CC[NH+](C[C@@H](O)COC[C@@H]3CCCO3)CC2)c1	ZINC000104963103	525455006	/nfs/dbraw/zinc/45/50/06/525455006.db2.gz	ONHAVVNGELPHTR-XLIONFOSSA-N	1	0	360.454	1.958	20	30		FDEDRO
CC[N@H+](CCNC(=O)C(=O)Nc1cccc(OCCCC#N)c1)C1CC1	ZINC000118121323	525465681	/nfs/dbraw/zinc/46/56/81/525465681.db2.gz	AVGRTLCYMIHQJA-UHFFFAOYSA-N	1	0	358.442	1.908	20	30		FDEDRO
C#CCCOc1ccc(C[NH2+]C[C@H]2CCC[C@H]2NS(C)(=O)=O)cc1	ZINC000154291606	525484265	/nfs/dbraw/zinc/48/42/65/525484265.db2.gz	UWCQQNHINUEWSO-SJLPKXTDSA-N	1	0	350.484	1.896	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CC1	ZINC000106036975	525552868	/nfs/dbraw/zinc/55/28/68/525552868.db2.gz	FZUVSUQJSTVIMZ-SFHVURJKSA-N	1	0	369.469	1.263	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1	ZINC000154669073	525605510	/nfs/dbraw/zinc/60/55/10/525605510.db2.gz	NWWVKJWOCVZGIY-UHFFFAOYSA-N	1	0	374.485	1.081	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N2CC[NH+](C3CCCCC3)CC2)cc1	ZINC000154723747	525621324	/nfs/dbraw/zinc/62/13/24/525621324.db2.gz	BMDWEOMOFCWSHV-UHFFFAOYSA-N	1	0	354.454	1.765	20	30		FDEDRO
CC(C)[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)C(=O)N1CCOCC1	ZINC000180069421	525658846	/nfs/dbraw/zinc/65/88/46/525658846.db2.gz	ZPVLARSJYBKXPZ-LJQANCHMSA-N	1	0	372.469	1.406	20	30		FDEDRO
C=CCC[C@H]([NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1	ZINC000180259632	525679278	/nfs/dbraw/zinc/67/92/78/525679278.db2.gz	QYBDYLFRMMHQKV-INIZCTEOSA-N	1	0	367.453	1.731	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CNC(=O)c2ccccc2OCC)CC1	ZINC000106291167	525688522	/nfs/dbraw/zinc/68/85/22/525688522.db2.gz	VJGZGOGCRKISMK-UHFFFAOYSA-N	1	0	359.470	1.972	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2-n2cccn2)CC1	ZINC000106349356	525699120	/nfs/dbraw/zinc/69/91/20/525699120.db2.gz	BOBKXLIXKZTPOO-UHFFFAOYSA-N	1	0	367.453	1.968	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(=O)NCC)cc2)CC1	ZINC000106349137	525699759	/nfs/dbraw/zinc/69/97/59/525699759.db2.gz	IVIYFWZQBHUKSF-UHFFFAOYSA-N	1	0	372.469	1.532	20	30		FDEDRO
CCc1nn(C[C@H](O)C[N@H+](C)Cc2ccccc2)c(=O)c(C#N)c1CC	ZINC000106363349	525702589	/nfs/dbraw/zinc/70/25/89/525702589.db2.gz	PEQVYNCFHQKLOQ-MRXNPFEDSA-N	1	0	354.454	1.733	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1	ZINC000180640983	525733303	/nfs/dbraw/zinc/73/33/03/525733303.db2.gz	ANSYDPLMWIZIRG-AYHJJNSGSA-N	1	0	356.470	1.783	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCc2nnc3n2CCCC3)cc1OC	ZINC000170907449	525765068	/nfs/dbraw/zinc/76/50/68/525765068.db2.gz	QVIRGSNXGMWLRB-UHFFFAOYSA-N	1	0	358.446	1.279	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2cccnc2-n2cccn2)CC1	ZINC000170912220	525766705	/nfs/dbraw/zinc/76/67/05/525766705.db2.gz	ZDJPVTJLTQTGIT-UHFFFAOYSA-N	1	0	371.445	1.293	20	30		FDEDRO
CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)cc1	ZINC000181042377	525796700	/nfs/dbraw/zinc/79/67/00/525796700.db2.gz	YVCRQAGMIHFPRE-OLZOCXBDSA-N	1	0	352.460	1.006	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NCC1([NH+]2CCSCC2)CCCCC1	ZINC000181140483	525810416	/nfs/dbraw/zinc/81/04/16/525810416.db2.gz	QMCJFTUIMRNPOE-UHFFFAOYSA-N	1	0	354.520	1.340	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCc2nc(C)nn2C1)C(C)C	ZINC000171040964	525813197	/nfs/dbraw/zinc/81/31/97/525813197.db2.gz	VIJAQQXHZNQEFD-IAGOWNOFSA-N	1	0	360.506	1.899	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)C[C@@H]1CCCCO1	ZINC000171088302	525833376	/nfs/dbraw/zinc/83/33/76/525833376.db2.gz	NRMIWKGIYLGNEQ-SFHVURJKSA-N	1	0	365.499	1.821	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)n1	ZINC000181336604	525840128	/nfs/dbraw/zinc/84/01/28/525840128.db2.gz	HYBHUFNGVLJKGJ-CYBMUJFWSA-N	1	0	374.470	1.755	20	30		FDEDRO
C[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccc(OCC#N)cc1	ZINC000181636203	525884132	/nfs/dbraw/zinc/88/41/32/525884132.db2.gz	XYUMRCBBGXGKNK-AWEZNQCLSA-N	1	0	351.472	1.911	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)c1	ZINC000119857875	525887055	/nfs/dbraw/zinc/88/70/55/525887055.db2.gz	KTURMMZNQBQTJQ-QAPCUYQASA-N	1	0	357.454	1.826	20	30		FDEDRO
COCC[N@H+](C)CCNC(=O)N1CCN(c2cccc(F)c2C#N)CC1	ZINC000171211562	525899266	/nfs/dbraw/zinc/89/92/66/525899266.db2.gz	GMAZPGBZKGGFEM-UHFFFAOYSA-N	1	0	363.437	1.107	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@H+](C)C1CCN(CCc2ccccn2)CC1	ZINC000131776939	525901100	/nfs/dbraw/zinc/90/11/00/525901100.db2.gz	LMXMZGMQHRIDBM-UHFFFAOYSA-N	1	0	357.502	1.782	20	30		FDEDRO
CC[NH+]=C(NCc1c(C)nn(C)c1C)N1CCN(Cc2cc(C)on2)CC1	ZINC000119952405	525919366	/nfs/dbraw/zinc/91/93/66/525919366.db2.gz	WOIIPULBCFCZKX-UHFFFAOYSA-N	1	0	373.505	1.617	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccn(CC[NH+](C)C)n1	ZINC000120057443	525947184	/nfs/dbraw/zinc/94/71/84/525947184.db2.gz	AQLURKYHTXVMRP-UHFFFAOYSA-N	1	0	357.462	1.743	20	30		FDEDRO
CCc1n[nH]c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1[N+](=O)[O-]	ZINC000171371786	525967814	/nfs/dbraw/zinc/96/78/14/525967814.db2.gz	ITWNLGOCKKZPNN-UHFFFAOYSA-N	1	0	370.413	1.956	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1	ZINC000155805624	525980552	/nfs/dbraw/zinc/98/05/52/525980552.db2.gz	CXOFQBNTNHLPIA-YJBOKZPZSA-N	1	0	356.470	1.739	20	30		FDEDRO
C[C@H]([NH2+][C@@H](CC(N)=O)C1CCOCC1)C(=O)N(CCC#N)c1ccccc1	ZINC000181962293	525999802	/nfs/dbraw/zinc/99/98/02/525999802.db2.gz	QFKOYJOJSLJIOY-YJBOKZPZSA-N	1	0	372.469	1.582	20	30		FDEDRO
C[C@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(OCC#N)cc1	ZINC000181978705	526006931	/nfs/dbraw/zinc/00/69/31/526006931.db2.gz	MPEJMFFLYFBFRQ-WMZOPIPTSA-N	1	0	372.469	1.173	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1	ZINC000132981611	526011100	/nfs/dbraw/zinc/01/11/00/526011100.db2.gz	IUCDSSDGZHYTEA-UHFFFAOYSA-N	1	0	359.474	1.587	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCC(=O)NCC3CC3)CC2)cc1	ZINC000182001721	526014748	/nfs/dbraw/zinc/01/47/48/526014748.db2.gz	AYNHEYSKLODPJL-UHFFFAOYSA-N	1	0	369.469	1.302	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1	ZINC000171621437	526053927	/nfs/dbraw/zinc/05/39/27/526053927.db2.gz	GWKPMACYBLKKKL-IRXDYDNUSA-N	1	0	367.453	1.715	20	30		FDEDRO
C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1	ZINC000133713337	526084979	/nfs/dbraw/zinc/08/49/79/526084979.db2.gz	ILJLYCUDIGBJIH-PBHICJAKSA-N	1	0	372.469	1.482	20	30		FDEDRO
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)COc2ccccc2C#N)CC1	ZINC000133754506	526091818	/nfs/dbraw/zinc/09/18/18/526091818.db2.gz	AMGLTUGOVFIFPH-QZTJIDSGSA-N	1	0	370.497	1.954	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CCc2c(C)c3c(C)nn(C)c3[nH]c2=O)CC1	ZINC000171719261	526092241	/nfs/dbraw/zinc/09/22/41/526092241.db2.gz	IHMRUTJZBIBUTG-UHFFFAOYSA-N	1	0	371.485	1.578	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)NCC)ccc2C)CC1	ZINC000171726672	526097234	/nfs/dbraw/zinc/09/72/34/526097234.db2.gz	WWCWMYZNQMRQTM-UHFFFAOYSA-N	1	0	365.499	1.673	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)NCc3ccc(OCC#N)cc3)C2)CC1	ZINC000171733173	526101596	/nfs/dbraw/zinc/10/15/96/526101596.db2.gz	CIJRDWKUNUNBBM-GOSISDBHSA-N	1	0	371.485	1.510	20	30		FDEDRO
CC[C@](C)([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(N)=O	ZINC000133987544	526114325	/nfs/dbraw/zinc/11/43/25/526114325.db2.gz	DMZWCUWBVLYLAI-INIZCTEOSA-N	1	0	355.360	1.417	20	30		FDEDRO
CCC(CC)C[N@H+](CCC#N)CCn1cnc2c1c(=O)n(C)c(=O)n2C	ZINC000182391878	526157200	/nfs/dbraw/zinc/15/72/00/526157200.db2.gz	GGSHLWUXSLTYPA-UHFFFAOYSA-N	1	0	360.462	1.086	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)cc1	ZINC000120785342	526182656	/nfs/dbraw/zinc/18/26/56/526182656.db2.gz	UZDMNLZPCPPQPA-INIZCTEOSA-N	1	0	362.455	1.043	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(C(=O)Cc3ccc(OCC#N)cc3)CC2)c1	ZINC000110299841	526234943	/nfs/dbraw/zinc/23/49/43/526234943.db2.gz	HVOXJXNDKZJBCT-UHFFFAOYSA-N	1	0	366.421	1.884	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cccc3c2CCN3C(=O)COC)CC1	ZINC000182649797	535840196	/nfs/dbraw/zinc/84/01/96/535840196.db2.gz	UZQRCCASAJHJEN-UHFFFAOYSA-N	1	0	355.438	1.506	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(n4cncn4)CC3)C2=O)cc1	ZINC000182723183	535852386	/nfs/dbraw/zinc/85/23/86/535852386.db2.gz	UVFZWTYTULIUIF-GOSISDBHSA-N	1	0	350.426	1.982	20	30		FDEDRO
CCOCC[N@H+](CC)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000182773211	535860042	/nfs/dbraw/zinc/86/00/42/535860042.db2.gz	AWYMCCOMTDACTE-MRXNPFEDSA-N	1	0	364.515	1.815	20	30		FDEDRO
CC[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c1cccc(S(N)(=O)=O)c1	ZINC000183010476	535902964	/nfs/dbraw/zinc/90/29/64/535902964.db2.gz	ZBYAMKAQUVHACQ-RDJZCZTQSA-N	1	0	366.487	1.429	20	30		FDEDRO
COCCC[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000183167360	535932441	/nfs/dbraw/zinc/93/24/41/535932441.db2.gz	SVEWVCTXPFGJAC-OAHLLOKOSA-N	1	0	350.488	1.425	20	30		FDEDRO
C[C@H](O)CC[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000183181863	535937864	/nfs/dbraw/zinc/93/78/64/535937864.db2.gz	OAYABDALDWLKSK-YJBOKZPZSA-N	1	0	362.449	1.237	20	30		FDEDRO
CC[NH+]1CCC(CCNS(=O)(=O)c2ccc(C#N)cc2OC)CC1	ZINC000185776070	536217338	/nfs/dbraw/zinc/21/73/38/536217338.db2.gz	QJGGHFSBDVHUCX-UHFFFAOYSA-N	1	0	351.472	1.967	20	30		FDEDRO
N#C[C@@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000185828039	536218632	/nfs/dbraw/zinc/21/86/32/536218632.db2.gz	HGDHOYWFSBYNJG-CHWSQXEVSA-N	1	0	352.416	1.545	20	30		FDEDRO
COCCNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)c1	ZINC000185837402	536218903	/nfs/dbraw/zinc/21/89/03/536218903.db2.gz	JXDHBJAQUOJIOI-GOEBONIOSA-N	1	0	351.472	1.783	20	30		FDEDRO
C[C@H](CNC(=O)Nc1ncccc1OCCCC#N)C[NH+]1CCN(C)CC1	ZINC000186444551	536234697	/nfs/dbraw/zinc/23/46/97/536234697.db2.gz	BFYPYZCTSWVGNN-MRXNPFEDSA-N	1	0	374.489	1.769	20	30		FDEDRO
CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCCCCC#N)c2)CC1	ZINC000187149247	536255981	/nfs/dbraw/zinc/25/59/81/536255981.db2.gz	OLUJDLJBLDHOPG-UHFFFAOYSA-N	1	0	357.458	1.577	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1	ZINC000187216791	536258005	/nfs/dbraw/zinc/25/80/05/536258005.db2.gz	LMFMALQSIUWVJU-UHFFFAOYSA-N	1	0	357.454	1.875	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1	ZINC000188228992	536286742	/nfs/dbraw/zinc/28/67/42/536286742.db2.gz	WTCIUFCMSCXBHJ-ZIAGYGMSSA-N	1	0	351.472	1.966	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N(CC)CCC[NH+](C)C)cc1	ZINC000188957477	536977668	/nfs/dbraw/zinc/97/76/68/536977668.db2.gz	MIOCGOGUADCFOL-UHFFFAOYSA-N	1	0	351.472	1.012	20	30		FDEDRO
C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2ccc(F)cc2C#N)CCSC1	ZINC000267556070	536978981	/nfs/dbraw/zinc/97/89/81/536978981.db2.gz	LLRYBMOHYGHJRG-MRXNPFEDSA-N	1	0	350.419	1.189	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)CN1CCO[C@@H](Cn2cccn2)C1	ZINC000246585332	536986397	/nfs/dbraw/zinc/98/63/97/536986397.db2.gz	SLHIIZFHHVJYSM-RTBURBONSA-N	1	0	357.454	1.752	20	30		FDEDRO
CCOC(=O)c1csc(CCNC(=[NH2+])NCc2ccccc2OC)n1	ZINC000189068929	536992805	/nfs/dbraw/zinc/99/28/05/536992805.db2.gz	BBUKMNIZJDMONK-UHFFFAOYSA-N	1	0	362.455	1.975	20	30		FDEDRO
CC[NH+]=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)NC1CC1	ZINC000263232990	536997371	/nfs/dbraw/zinc/99/73/71/536997371.db2.gz	IPLCGQUFFQWLCV-UHFFFAOYSA-N	1	0	364.515	1.805	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNS(=O)(=O)Cc2cccc(C#N)c2)CC1	ZINC000189116825	536999920	/nfs/dbraw/zinc/99/99/20/536999920.db2.gz	WHVNQGVHUZOAQN-OAHLLOKOSA-N	1	0	350.488	1.004	20	30		FDEDRO
Cc1ccc(OC(F)F)c(CNC(=[NH2+])NCCCN2CCOCC2)c1	ZINC000268058349	537009157	/nfs/dbraw/zinc/00/91/57/537009157.db2.gz	CCSDVCHPKXOBPF-UHFFFAOYSA-N	1	0	356.417	1.723	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1	ZINC000268171443	537011921	/nfs/dbraw/zinc/01/19/21/537011921.db2.gz	LSCFINSWIJSLEA-GUYCJALGSA-N	1	0	370.453	1.140	20	30		FDEDRO
NC(=NOCCOCC(F)F)c1ccccc1C[NH+]1CCC(O)CC1	ZINC000189279937	537020840	/nfs/dbraw/zinc/02/08/40/537020840.db2.gz	KXGBNJVUHQBKKS-UHFFFAOYSA-N	1	0	357.401	1.562	20	30		FDEDRO
Cc1nsc(N2CCC[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)n1	ZINC000246797552	537029655	/nfs/dbraw/zinc/02/96/55/537029655.db2.gz	VDVRUNHUXRUGAM-MRXNPFEDSA-N	1	0	373.482	1.670	20	30		FDEDRO
CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000246982883	537063343	/nfs/dbraw/zinc/06/33/43/537063343.db2.gz	KDYFIAQQBSUMRC-KBPBESRZSA-N	1	0	366.487	1.072	20	30		FDEDRO
Cc1ccc([C@@H](CNc2c(C#N)c(=O)n(C)c(=O)n2C)[NH+]2CCCC2)o1	ZINC000263757731	537089863	/nfs/dbraw/zinc/08/98/63/537089863.db2.gz	UDVAILDPZYBMAS-CQSZACIVSA-N	1	0	357.414	1.106	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2)[C@@H](C)C1	ZINC000247208276	537094888	/nfs/dbraw/zinc/09/48/88/537094888.db2.gz	MFEMEGQUEFWHEX-MAUKXSAKSA-N	1	0	365.499	1.974	20	30		FDEDRO
COCCC[N@H+](CCO)CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000189895838	537112115	/nfs/dbraw/zinc/11/21/15/537112115.db2.gz	QEISTNIZZYYLCJ-UHFFFAOYSA-N	1	0	351.472	1.768	20	30		FDEDRO
N#Cc1ncn(CC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1	ZINC000247561895	537134409	/nfs/dbraw/zinc/13/44/09/537134409.db2.gz	RXLMPIIHQQDGNE-QZTJIDSGSA-N	1	0	364.453	1.663	20	30		FDEDRO
CC(C)CNC(=[NH2+])NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1	ZINC000264098676	537137280	/nfs/dbraw/zinc/13/72/80/537137280.db2.gz	NIINBWJQOKAGPV-INIZCTEOSA-N	1	0	362.474	1.421	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[N@H+]2C)ccc1F	ZINC000264911253	537150039	/nfs/dbraw/zinc/15/00/39/537150039.db2.gz	NMJKTXLSTHKQRL-CYBMUJFWSA-N	1	0	355.435	1.114	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1c(C)nn(-c2ccccc2)c1C	ZINC000264970153	537150722	/nfs/dbraw/zinc/15/07/22/537150722.db2.gz	DZXSZTLZFJZYOL-UHFFFAOYSA-N	1	0	370.501	1.486	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1N1CCN(C(=O)CSCC#N)CC1	ZINC000265649452	537164840	/nfs/dbraw/zinc/16/48/40/537164840.db2.gz	SXQQKUVWQHFGSM-UHFFFAOYSA-N	1	0	362.499	1.532	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C#N)cc2OC)[C@@H](C)C1	ZINC000248644139	537200149	/nfs/dbraw/zinc/20/01/49/537200149.db2.gz	NTUGNOSWPRPNES-DZGCQCFKSA-N	1	0	351.472	1.918	20	30		FDEDRO
C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1	ZINC000192009727	537218318	/nfs/dbraw/zinc/21/83/18/537218318.db2.gz	WFRPTWNKYVIEAH-UDCYCAJLSA-N	1	0	352.460	1.421	20	30		FDEDRO
C[C@H](C1CC1)n1nccc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000192085046	537220126	/nfs/dbraw/zinc/22/01/26/537220126.db2.gz	HAKFGRNPHINEQH-CQSZACIVSA-N	1	0	360.462	1.487	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1	ZINC000249119588	537230445	/nfs/dbraw/zinc/23/04/45/537230445.db2.gz	UZDSLNSQTCDCLH-DOTOQJQBSA-N	1	0	370.453	1.456	20	30		FDEDRO
C=CCn1c(SCC(=O)NCCC[NH+](C)C)nc2ccccc2c1=O	ZINC000192723904	537231029	/nfs/dbraw/zinc/23/10/29/537231029.db2.gz	ZDAOFVOPFRNTPI-UHFFFAOYSA-N	1	0	360.483	1.743	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1	ZINC000249411510	537235034	/nfs/dbraw/zinc/23/50/34/537235034.db2.gz	FGSGNSHGWZZLKN-IRXDYDNUSA-N	1	0	369.465	1.970	20	30		FDEDRO
Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C2)n1	ZINC000249681724	537240328	/nfs/dbraw/zinc/24/03/28/537240328.db2.gz	DGSLEQWRHFYLNS-HZPDHXFCSA-N	1	0	357.458	1.801	20	30		FDEDRO
C[C@@H](CN1CCOCC1)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000193586679	537251591	/nfs/dbraw/zinc/25/15/91/537251591.db2.gz	UTDQNMMKGVLHNT-KRWDZBQOSA-N	1	0	373.501	1.352	20	30		FDEDRO
CCc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C#N)cn2)[NH+](C)C)cc1	ZINC000292999964	537281955	/nfs/dbraw/zinc/28/19/55/537281955.db2.gz	JKWSWQFCPWDPJW-QGZVFWFLSA-N	1	0	365.437	1.873	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1	ZINC000290210999	537289642	/nfs/dbraw/zinc/28/96/42/537289642.db2.gz	NTKLJVFNQXDMDS-UHFFFAOYSA-N	1	0	354.454	1.507	20	30		FDEDRO
C=CCN(C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)C1CC1	ZINC000276182326	537321219	/nfs/dbraw/zinc/32/12/19/537321219.db2.gz	UBWBQANNJPKFHR-UHFFFAOYSA-N	1	0	356.470	1.550	20	30		FDEDRO
CCOC(=O)C[C@@H](C)CNC(=[NH2+])NCCc1ccc(OC)c(OC)c1	ZINC000270430785	537331841	/nfs/dbraw/zinc/33/18/41/537331841.db2.gz	BKJGJULTUFFJBV-CYBMUJFWSA-N	1	0	351.447	1.740	20	30		FDEDRO
C=CCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1	ZINC000290429929	537349042	/nfs/dbraw/zinc/34/90/42/537349042.db2.gz	QMXUXGVHRPYLTN-INIZCTEOSA-N	1	0	355.490	1.675	20	30		FDEDRO
CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@]3(C#N)CC34CCCC4)CC2)C1	ZINC000333546453	537349181	/nfs/dbraw/zinc/34/91/81/537349181.db2.gz	LWGLWMRIOWEGCK-GHTZIAJQSA-N	1	0	374.529	1.714	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1	ZINC000298883614	537354914	/nfs/dbraw/zinc/35/49/14/537354914.db2.gz	ZINAQPMQGWZOKI-LJQANCHMSA-N	1	0	368.481	1.994	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)c(F)c1	ZINC000283291387	537366508	/nfs/dbraw/zinc/36/65/08/537366508.db2.gz	OGWLYNPLPMIIKO-QGZVFWFLSA-N	1	0	367.421	1.438	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(C[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)C1=O	ZINC000348436970	537385560	/nfs/dbraw/zinc/38/55/60/537385560.db2.gz	YGQVFLFUYKPTBO-MSOLQXFVSA-N	1	0	373.453	1.955	20	30		FDEDRO
C[C@H](C#N)CN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1	ZINC000298996890	537401340	/nfs/dbraw/zinc/40/13/40/537401340.db2.gz	GYJZBYYEUVEBPK-CQSZACIVSA-N	1	0	364.877	1.848	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccccc1OCC(F)(F)F	ZINC000293325505	537415539	/nfs/dbraw/zinc/41/55/39/537415539.db2.gz	IZUYVYDUTQSBQI-UHFFFAOYSA-N	1	0	371.359	1.638	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)c1	ZINC000299045832	537420521	/nfs/dbraw/zinc/42/05/21/537420521.db2.gz	GWVZQJFLXGJPTF-OAHLLOKOSA-N	1	0	365.499	1.613	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCN(c2cccc(Br)c2C#N)CC1	ZINC000290855741	537430397	/nfs/dbraw/zinc/43/03/97/537430397.db2.gz	XVVMLWLKLCBTIA-UHFFFAOYSA-N	1	0	365.275	1.921	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)NC1CC[NH+](CC=C)CC1	ZINC000286339115	537432972	/nfs/dbraw/zinc/43/29/72/537432972.db2.gz	AXRCMRJGCNWOHR-UHFFFAOYSA-N	1	0	357.454	1.634	20	30		FDEDRO
CCOC(CCNC(=[NH2+])NCCc1ccc(OC)c(OC)c1)OCC	ZINC000276349710	537440523	/nfs/dbraw/zinc/44/05/23/537440523.db2.gz	JZQLNSLCKQKTLU-UHFFFAOYSA-N	1	0	353.463	1.940	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1	ZINC000287201265	537441418	/nfs/dbraw/zinc/44/14/18/537441418.db2.gz	FUIGUULQVJMLCH-ZBFHGGJFSA-N	1	0	357.454	1.609	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC[N@@H+](C2CCC2)C1	ZINC000293401459	537442300	/nfs/dbraw/zinc/44/23/00/537442300.db2.gz	KORVGUDGPKHWPE-AWEZNQCLSA-N	1	0	358.446	1.068	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000299128053	537449898	/nfs/dbraw/zinc/44/98/98/537449898.db2.gz	YNYWRDJQNYXCLL-ZWKOTPCHSA-N	1	0	366.469	1.893	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N(C)CC1CC[NH+](C)CC1	ZINC000299126202	537450775	/nfs/dbraw/zinc/45/07/75/537450775.db2.gz	MBALCSRFCKNQRZ-UHFFFAOYSA-N	1	0	368.481	1.873	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1	ZINC000293500996	537490517	/nfs/dbraw/zinc/49/05/17/537490517.db2.gz	XENVOZGUXNVDID-UHFFFAOYSA-N	1	0	373.787	1.951	20	30		FDEDRO
C[C@@H]1CN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@H](C)[N@H+]1C	ZINC000293516605	537496308	/nfs/dbraw/zinc/49/63/08/537496308.db2.gz	VQZGWDVERAKNRR-GASCZTMLSA-N	1	0	352.442	1.707	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC2CC[NH+](CC(=O)N3CCCC3)CC2)nc1	ZINC000365395637	537508292	/nfs/dbraw/zinc/50/82/92/537508292.db2.gz	OKTIFFZHMSDOTD-UHFFFAOYSA-N	1	0	371.485	1.496	20	30		FDEDRO
C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1	ZINC000281184254	537511278	/nfs/dbraw/zinc/51/12/78/537511278.db2.gz	RPUQVRCYIRUFKS-KOLCDFICSA-N	1	0	363.277	1.684	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1F	ZINC000293643444	537546841	/nfs/dbraw/zinc/54/68/41/537546841.db2.gz	ZWMNZDYDZUZPBH-UHFFFAOYSA-N	1	0	367.446	1.621	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CCN(C(=O)CCCCN3CCOCC3)C2)nc1	ZINC000293660534	537553898	/nfs/dbraw/zinc/55/38/98/537553898.db2.gz	HRFJHBJBZZOPPN-KRWDZBQOSA-N	1	0	358.442	1.435	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccc(C#N)c(F)c1	ZINC000291427965	537589492	/nfs/dbraw/zinc/58/94/92/537589492.db2.gz	YEHLHNPEQRCEEI-ZDUSSCGKSA-N	1	0	374.416	1.348	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(N[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)=[NH+]C[C@@H]2C1	ZINC000305030919	537598016	/nfs/dbraw/zinc/59/80/16/537598016.db2.gz	QXXIQFVPGKEHPJ-BARDWOONSA-N	1	0	364.490	1.680	20	30		FDEDRO
CCOCCCNC(=[NH2+])NCC1CCN(Cc2nc(C)c(C)o2)CC1	ZINC000304751247	537598352	/nfs/dbraw/zinc/59/83/52/537598352.db2.gz	JAXJMBANCGUIJN-UHFFFAOYSA-N	1	0	351.495	1.834	20	30		FDEDRO
C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1[C@@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000289849393	537602744	/nfs/dbraw/zinc/60/27/44/537602744.db2.gz	PSDCQBWGZOQEAC-ATZDWAIDSA-N	1	0	354.454	1.459	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1	ZINC000293870034	537613505	/nfs/dbraw/zinc/61/35/05/537613505.db2.gz	BVKOMPJTULCOQG-UHFFFAOYSA-N	1	0	355.360	1.507	20	30		FDEDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCCc1nc2c(s1)CCCC2	ZINC000329031415	537633452	/nfs/dbraw/zinc/63/34/52/537633452.db2.gz	PSWNTIXWUKEPOM-ZDUSSCGKSA-N	1	0	351.520	1.314	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@H]2CCO[C@@H]2c2cccnc2)C1	ZINC000329027612	537634259	/nfs/dbraw/zinc/63/42/59/537634259.db2.gz	KEUIQSXPPUNXSX-OKZBNKHCSA-N	1	0	362.474	1.772	20	30		FDEDRO
CS(=O)(=O)NCC1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1	ZINC000329502657	537637706	/nfs/dbraw/zinc/63/77/06/537637706.db2.gz	KSWVQJVVLQHVDQ-UHFFFAOYSA-N	1	0	372.535	1.036	20	30		FDEDRO
CN1CCN(CC(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC1=O	ZINC000329505429	537637904	/nfs/dbraw/zinc/63/79/04/537637904.db2.gz	AIWHSHOKBBSMJZ-UHFFFAOYSA-N	1	0	364.515	1.691	20	30		FDEDRO
Cc1cnn([C@@H]2CCN(C([O-])=[NH+]C3CC[NH+](C4CCN(C)CC4)CC3)C2)c1	ZINC000329598697	537639712	/nfs/dbraw/zinc/63/97/12/537639712.db2.gz	JLPSHFIYKOHXAZ-LJQANCHMSA-N	1	0	374.533	1.911	20	30		FDEDRO
C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1ccccc1CN1C(=O)CCC1=O	ZINC000329658261	537641028	/nfs/dbraw/zinc/64/10/28/537641028.db2.gz	HEEBCONZQNOIRE-ZIAGYGMSSA-N	1	0	358.442	1.906	20	30		FDEDRO
C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccccc1CN1C(=O)CCC1=O	ZINC000329658260	537641219	/nfs/dbraw/zinc/64/12/19/537641219.db2.gz	HEEBCONZQNOIRE-UONOGXRCSA-N	1	0	358.442	1.906	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CCOCC1	ZINC000294024245	537644176	/nfs/dbraw/zinc/64/41/76/537644176.db2.gz	FCXQSYLBTBBGHL-UHFFFAOYSA-N	1	0	356.348	1.813	20	30		FDEDRO
Cn1cc([C@H]2[C@H](C(=O)NCC3([NH+](C)C)CCCC3)OCC(=O)N2C)cn1	ZINC000329919499	537645850	/nfs/dbraw/zinc/64/58/50/537645850.db2.gz	DIRRNKZJESYOQX-JKSUJKDBSA-N	1	0	363.462	1.149	20	30		FDEDRO
COCc1ncc(C(=O)NCC2([NH+]3CCSCC3)CCCC2)c(N)n1	ZINC000330001036	537648489	/nfs/dbraw/zinc/64/84/89/537648489.db2.gz	XMOGHGPIJJNNCA-UHFFFAOYSA-N	1	0	365.503	1.871	20	30		FDEDRO
CC(=O)N1CCC[C@H](CNC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C1	ZINC000330029714	537650495	/nfs/dbraw/zinc/65/04/95/537650495.db2.gz	QNBCNOIRHPQTFX-QGZVFWFLSA-N	1	0	367.538	1.117	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1	ZINC000330227087	537652013	/nfs/dbraw/zinc/65/20/13/537652013.db2.gz	PBXMGEKBNKBMFJ-GJZGRUSLSA-N	1	0	364.490	1.096	20	30		FDEDRO
CC(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(=O)NC2CCCCC2)C1	ZINC000330674800	537659869	/nfs/dbraw/zinc/65/98/69/537659869.db2.gz	QWXOSHZECKOKHW-ZFWWWQNUSA-N	1	0	352.479	1.586	20	30		FDEDRO
Cc1nsc(NC(=O)NCc2ccnc(N3CCOCC3)c2)c1C#N	ZINC000294167604	537669754	/nfs/dbraw/zinc/66/97/54/537669754.db2.gz	JBCBOAKJEPBGNT-UHFFFAOYSA-N	1	0	358.427	1.877	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)NC1CC[NH+](CCOC)CC1	ZINC000285327320	537685306	/nfs/dbraw/zinc/68/53/06/537685306.db2.gz	FDUPDMHRDMTHIW-UHFFFAOYSA-N	1	0	363.458	1.064	20	30		FDEDRO
C[NH+](C)CCN1CCN(C(=O)c2ccc(Br)cc2C#N)CC1	ZINC000294347200	537685928	/nfs/dbraw/zinc/68/59/28/537685928.db2.gz	IXBAFDNSAWPRSB-UHFFFAOYSA-N	1	0	365.275	1.640	20	30		FDEDRO
N#CCCCCNC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000285379493	537694638	/nfs/dbraw/zinc/69/46/38/537694638.db2.gz	HONAWQVBGIJPSX-GOSISDBHSA-N	1	0	356.470	1.967	20	30		FDEDRO
C[N@@H+]1CC[C@@]2(CCN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)C2)C1	ZINC000292040879	537701456	/nfs/dbraw/zinc/70/14/56/537701456.db2.gz	ANPYMKFVPWXUHJ-HXUWFJFHSA-N	1	0	364.453	1.710	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccnc(N3CCCC3)c2)CC1	ZINC000285470688	537717176	/nfs/dbraw/zinc/71/71/76/537717176.db2.gz	CEGDEPQCNXLGEG-UHFFFAOYSA-N	1	0	371.485	1.065	20	30		FDEDRO
COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000292273262	537723644	/nfs/dbraw/zinc/72/36/44/537723644.db2.gz	LEWDMXKPYVIRFK-UHFFFAOYSA-N	1	0	369.462	1.819	20	30		FDEDRO
N#Cc1ccc(CN2CC[NH+](C[C@@H](O)COCC(F)(F)F)CC2)cc1	ZINC000292342227	537728768	/nfs/dbraw/zinc/72/87/68/537728768.db2.gz	DMUYWYMESXXDNJ-MRXNPFEDSA-N	1	0	357.376	1.616	20	30		FDEDRO
C[C@H](c1ccccc1)[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)C(N)=O	ZINC000292373309	537730868	/nfs/dbraw/zinc/73/08/68/537730868.db2.gz	YRWDQBXNGHXHGF-DKSSEZFCSA-N	1	0	353.422	1.545	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1	ZINC000418913436	537845448	/nfs/dbraw/zinc/84/54/48/537845448.db2.gz	FBSKHFBUYZPCDN-BHYGNILZSA-N	1	0	372.494	1.103	20	30		FDEDRO
N#CC1(NC(=O)c2cc(C(N)=O)c[nH]2)CC[NH+](Cc2ccccc2)CC1	ZINC000376181675	537846434	/nfs/dbraw/zinc/84/64/34/537846434.db2.gz	NNYMWESJIRESPB-UHFFFAOYSA-N	1	0	351.410	1.402	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000409508331	537855471	/nfs/dbraw/zinc/85/54/71/537855471.db2.gz	MBEHREUQXSYWSB-OWCLPIDISA-N	1	0	360.524	1.049	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1	ZINC000418934333	537856620	/nfs/dbraw/zinc/85/66/20/537856620.db2.gz	JLPGJSTYWSJCQZ-UHFFFAOYSA-N	1	0	371.481	1.858	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NC1CC[NH+](CCc2ccccc2)CC1	ZINC000409571488	537862083	/nfs/dbraw/zinc/86/20/83/537862083.db2.gz	WIDXASNOPCNSEP-UHFFFAOYSA-N	1	0	364.515	1.763	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@H]1CCCCNC1=O	ZINC000366950597	537896743	/nfs/dbraw/zinc/89/67/43/537896743.db2.gz	GTFFECWUTRPAGQ-GOSISDBHSA-N	1	0	356.470	1.755	20	30		FDEDRO
N#CCCN(C(=O)C[NH2+][C@H](CO)[C@H]1CCCOC1)c1cccc(Cl)c1	ZINC000411990755	537925175	/nfs/dbraw/zinc/92/51/75/537925175.db2.gz	IMKDGIUGNBAVMQ-WMLDXEAASA-N	1	0	365.861	1.964	20	30		FDEDRO
C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000419116171	537945346	/nfs/dbraw/zinc/94/53/46/537945346.db2.gz	OPNYENHAEBZDOQ-SWLSCSKDSA-N	1	0	367.371	1.430	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000367135276	537948727	/nfs/dbraw/zinc/94/87/27/537948727.db2.gz	JGTMDRUOXSGKFR-AEFFLSMTSA-N	1	0	364.515	1.824	20	30		FDEDRO
O=C(NCC#Cc1cccc(C(F)(F)F)c1)C(=O)NCC[C@H]1CCC[NH2+]1	ZINC000419124301	537948827	/nfs/dbraw/zinc/94/88/27/537948827.db2.gz	ZDEYRHMWTFQEDO-OAHLLOKOSA-N	1	0	367.371	1.431	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1	ZINC000377117425	537956814	/nfs/dbraw/zinc/95/68/14/537956814.db2.gz	AAVKSLBUACOQGV-KBRIMQKVSA-N	1	0	368.478	1.887	20	30		FDEDRO
CCCCCCCCNC(=[NH2+])NCc1cn([C@@H]2COC[C@H]2OC)nn1	ZINC000377328789	537961024	/nfs/dbraw/zinc/96/10/24/537961024.db2.gz	CZQVTAUPGRYXRW-HZPDHXFCSA-N	1	0	352.483	1.839	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1	ZINC000419157622	537963888	/nfs/dbraw/zinc/96/38/88/537963888.db2.gz	VJVSOXHMSAOGJF-XIRDDKMYSA-N	1	0	351.491	1.592	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCC(c3ccccn3)CC2)CC1	ZINC000367619084	537967028	/nfs/dbraw/zinc/96/70/28/537967028.db2.gz	SCVZDNGWPCOHAP-HXUWFJFHSA-N	1	0	369.513	1.953	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c(F)c1	ZINC000367630378	537967154	/nfs/dbraw/zinc/96/71/54/537967154.db2.gz	FDCQFVKVZAWLCX-VBQJREDUSA-N	1	0	373.403	1.827	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1	ZINC000369040702	537997321	/nfs/dbraw/zinc/99/73/21/537997321.db2.gz	GXTLOHAWQPDGFW-IRXDYDNUSA-N	1	0	358.442	1.587	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)c1C	ZINC000377732459	538009246	/nfs/dbraw/zinc/00/92/46/538009246.db2.gz	LPAYFACAUWQOSI-SJORKVTESA-N	1	0	354.454	1.618	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(-c3ccnn3C)nn2)CC1	ZINC000417334620	538030894	/nfs/dbraw/zinc/03/08/94/538030894.db2.gz	FRBVZBFPFLUDGW-UHFFFAOYSA-N	1	0	355.446	2.039	20	30		FDEDRO
C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000415397388	538031447	/nfs/dbraw/zinc/03/14/47/538031447.db2.gz	RBOIQXJBHDRYBU-JTQLQIEISA-N	1	0	354.332	1.583	20	30		FDEDRO
CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000415440353	538048150	/nfs/dbraw/zinc/04/81/50/538048150.db2.gz	OCTNVJHSVMFVJV-GFCCVEGCSA-N	1	0	372.347	1.537	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)NC[C@H]3CCC[NH2+]C3)n2)c(Cl)c1	ZINC000415448390	538051934	/nfs/dbraw/zinc/05/19/34/538051934.db2.gz	HZEXPTBSFHHHLQ-ZDUSSCGKSA-N	1	0	358.833	2.518	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)CC[N@@H+]1C	ZINC000377982768	538054335	/nfs/dbraw/zinc/05/43/35/538054335.db2.gz	AHWNVBIIHYQTRU-UJKGCTCZSA-N	1	0	352.438	1.589	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H](C(=O)N(C)C)C1)C(C)C	ZINC000413118418	538056806	/nfs/dbraw/zinc/05/68/06/538056806.db2.gz	UGIKLDHIXRSZOT-DLBZAZTESA-N	1	0	350.507	1.805	20	30		FDEDRO
N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N[C@H](C[NH3+])C1CC1	ZINC000415454870	538058925	/nfs/dbraw/zinc/05/89/25/538058925.db2.gz	OUTXSNLCTZQNRC-OAHLLOKOSA-N	1	0	365.393	1.538	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C	ZINC000415464480	538063089	/nfs/dbraw/zinc/06/30/89/538063089.db2.gz	CVCLZIBZQQNEAD-DOMZBBRYSA-N	1	0	362.430	1.818	20	30		FDEDRO
N#CCC[C@@H](NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)c1ccccc1	ZINC000419482307	538074243	/nfs/dbraw/zinc/07/42/43/538074243.db2.gz	YDYWQQMREQFNIR-GOSISDBHSA-N	1	0	372.469	1.504	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1	ZINC000371088698	538098937	/nfs/dbraw/zinc/09/89/37/538098937.db2.gz	OOXCZERJSWETIF-ZXYWRSMDSA-N	1	0	356.426	1.788	20	30		FDEDRO
C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000423633674	538125769	/nfs/dbraw/zinc/12/57/69/538125769.db2.gz	PMDNUYSBUHCVKI-LSDHHAIUSA-N	1	0	370.453	1.137	20	30		FDEDRO
CCCN(C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1)[C@@H]1CC[NH2+]C1	ZINC000423638887	538127452	/nfs/dbraw/zinc/12/74/52/538127452.db2.gz	FDNRJMGTFOLOIA-KURKYZTESA-N	1	0	354.454	1.353	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1	ZINC000422201608	538187200	/nfs/dbraw/zinc/18/72/00/538187200.db2.gz	DLAPNUNERMBYPP-MSOLQXFVSA-N	1	0	350.507	1.532	20	30		FDEDRO
CCOC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CC12COC2	ZINC000451133588	538192146	/nfs/dbraw/zinc/19/21/46/538192146.db2.gz	JWESCVUILVAUOJ-INIZCTEOSA-N	1	0	357.410	1.398	20	30		FDEDRO
COC[C@@]1(C(=O)OC)CC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1	ZINC000451328992	538231068	/nfs/dbraw/zinc/23/10/68/538231068.db2.gz	MHGAZPGTSDWSIB-QGZVFWFLSA-N	1	0	351.447	1.183	20	30		FDEDRO
COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)[C@@H]([NH3+])CCCC#N)C2=O)c1	ZINC000424118027	538239580	/nfs/dbraw/zinc/23/95/80/538239580.db2.gz	CAQZGLMPMURQJO-IRXDYDNUSA-N	1	0	374.441	1.289	20	30		FDEDRO
CS(=O)(=O)c1ccccc1-n1cc(NC(=O)[C@@H]([NH3+])CCCC#N)cn1	ZINC000424135098	538244109	/nfs/dbraw/zinc/24/41/09/538244109.db2.gz	IUBBPYVXVBEANY-ZDUSSCGKSA-N	1	0	361.427	1.235	20	30		FDEDRO
CCN(CC)Cc1nc(C2(NC(=O)[C@@H]([NH3+])CCCC#N)CCCC2)no1	ZINC000424153270	538246815	/nfs/dbraw/zinc/24/68/15/538246815.db2.gz	JXLLKTVOLSRNLK-AWEZNQCLSA-N	1	0	362.478	1.818	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](c2cccnc2)C2CC2)CC1	ZINC000445805604	538255669	/nfs/dbraw/zinc/25/56/69/538255669.db2.gz	MHUJEMLHZKEIPC-AZUAARDMSA-N	1	0	355.486	1.815	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1	ZINC000424294111	538272790	/nfs/dbraw/zinc/27/27/90/538272790.db2.gz	OQNNCONGMOUAIO-FHLIZLRMSA-N	1	0	373.526	1.811	20	30		FDEDRO
CC(C)[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H](CO)C(C)C	ZINC000451593427	538283923	/nfs/dbraw/zinc/28/39/23/538283923.db2.gz	HZANJQTXZLAEJJ-DOTOQJQBSA-N	1	0	353.488	1.606	20	30		FDEDRO
CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1cccc(Br)c1C#N	ZINC000420415525	538288597	/nfs/dbraw/zinc/28/85/97/538288597.db2.gz	AZGHNMNCSCPEGF-GFCCVEGCSA-N	1	0	358.261	1.679	20	30		FDEDRO
COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)c2cccc(C#N)c2)cc1	ZINC000440867157	538288834	/nfs/dbraw/zinc/28/88/34/538288834.db2.gz	RVFTXYUEFFFYLL-OALUTQOASA-N	1	0	371.462	1.991	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])c1	ZINC000420429479	538294456	/nfs/dbraw/zinc/29/44/56/538294456.db2.gz	ZVRATRALQKOUSH-HIFRSBDPSA-N	1	0	351.472	1.350	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NCC(=O)N[C@@H](C)c1ccc(F)cc1	ZINC000451679492	538301664	/nfs/dbraw/zinc/30/16/64/538301664.db2.gz	HOEUKUICUDYIPV-XKQJLSEDSA-N	1	0	363.433	1.442	20	30		FDEDRO
CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N=c1ccn(CCC#N)[nH]1	ZINC000441422585	538326479	/nfs/dbraw/zinc/32/64/79/538326479.db2.gz	QAOWDFBBBUTZLS-JKSUJKDBSA-N	1	0	374.489	1.752	20	30		FDEDRO
C=CC[N@H+](C[C@@H]1CCS(=O)(=O)C1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000434539231	538328379	/nfs/dbraw/zinc/32/83/79/538328379.db2.gz	FUDXDBWLOHSUJI-CABCVRRESA-N	1	0	361.471	1.646	20	30		FDEDRO
C=CCC1(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CCOCC1	ZINC000424648093	538338232	/nfs/dbraw/zinc/33/82/32/538338232.db2.gz	VRSHPTLFHJQDAP-UHFFFAOYSA-N	1	0	373.497	1.967	20	30		FDEDRO
N#Cc1cnc(C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(Cl)c1	ZINC000448264434	538402451	/nfs/dbraw/zinc/40/24/51/538402451.db2.gz	SKIZBUFDPCPQOP-MRXNPFEDSA-N	1	0	370.840	1.756	20	30		FDEDRO
N#Cc1ccc([C@@H]([NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)C(N)=O)cc1	ZINC000435777435	538409102	/nfs/dbraw/zinc/40/91/02/538409102.db2.gz	IPUIKWOMZMAIDF-FGTMMUONSA-N	1	0	354.454	1.855	20	30		FDEDRO
C=CCC[C@@H](CO)NC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1	ZINC000457641753	538504107	/nfs/dbraw/zinc/50/41/07/538504107.db2.gz	DJMSWXOAWAAGCB-IBGZPJMESA-N	1	0	360.502	1.560	20	30		FDEDRO
C[C@@]1(n2cc(C[NH2+]CCc3cccc(C#N)c3)cn2)CCS(=O)(=O)C1	ZINC000466422817	538543903	/nfs/dbraw/zinc/54/39/03/538543903.db2.gz	ALAWJPIOGARLCL-GOSISDBHSA-N	1	0	358.467	1.621	20	30		FDEDRO
C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2C#N)cc1	ZINC000461772090	538562971	/nfs/dbraw/zinc/56/29/71/538562971.db2.gz	FXSSVQZJNYIECO-XJKSGUPXSA-N	1	0	371.441	1.324	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1	ZINC000458193664	538574383	/nfs/dbraw/zinc/57/43/83/538574383.db2.gz	PSIMFELHSUSRGN-HNNXBMFYSA-N	1	0	365.499	1.613	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1	ZINC000472099906	538581352	/nfs/dbraw/zinc/58/13/52/538581352.db2.gz	LRHVWBFKENEVML-HNNXBMFYSA-N	1	0	360.458	1.088	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1	ZINC000472284566	538617843	/nfs/dbraw/zinc/61/78/43/538617843.db2.gz	LTFNPLMDYJBUHA-SCTDSRPQSA-N	1	0	352.523	1.862	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1	ZINC000495288057	538651683	/nfs/dbraw/zinc/65/16/83/538651683.db2.gz	FGPZXOCOIIOCTB-UHFFFAOYSA-N	1	0	366.421	1.883	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1	ZINC000495289057	538652109	/nfs/dbraw/zinc/65/21/09/538652109.db2.gz	QZDYAVABOMDBQE-OAHLLOKOSA-N	1	0	356.426	1.592	20	30		FDEDRO
CCCN(CC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000478448533	538744571	/nfs/dbraw/zinc/74/45/71/538744571.db2.gz	KFHRBIAWPOILTH-UHFFFAOYSA-N	1	0	366.487	1.292	20	30		FDEDRO
C=CCN(C(=O)[C@H]([NH3+])CC(F)F)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000498216160	538814873	/nfs/dbraw/zinc/81/48/73/538814873.db2.gz	NBANLPPBUHTFDP-BXUZGUMPSA-N	1	0	350.373	1.720	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCC#Cc2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000485374015	538839260	/nfs/dbraw/zinc/83/92/60/538839260.db2.gz	DVXFWHDGSLDPFL-QUCCMNQESA-N	1	0	354.498	1.706	20	30		FDEDRO
C[NH+](C)CCCCNS(=O)(=O)c1cccc(NC(=O)C(C)(C)C#N)c1	ZINC000560810414	545610249	/nfs/dbraw/zinc/61/02/49/545610249.db2.gz	CJGLDAIXPUDPOJ-UHFFFAOYSA-N	1	0	366.487	1.795	20	30		FDEDRO
COC(=O)CCN1CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)[C@@H](C)C1	ZINC000561205415	545744213	/nfs/dbraw/zinc/74/42/13/545744213.db2.gz	AUOHVMWAJQQCOZ-HNNXBMFYSA-N	1	0	358.442	1.456	20	30		FDEDRO
COC(=O)CCN1CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)[C@H](C)C1	ZINC000561205416	545744297	/nfs/dbraw/zinc/74/42/97/545744297.db2.gz	AUOHVMWAJQQCOZ-OAHLLOKOSA-N	1	0	358.442	1.456	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(S(=O)(=O)CC2(C#N)CCC2)CC1	ZINC000561396538	545833280	/nfs/dbraw/zinc/83/32/80/545833280.db2.gz	OUPFMLLECBDDDE-UHFFFAOYSA-N	1	0	350.444	1.236	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@@H](OC)C2(CC)CC)CC1	ZINC000561413076	545838625	/nfs/dbraw/zinc/83/86/25/545838625.db2.gz	CIDVACGFHSKCNS-DLBZAZTESA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@@H](OC)C2(CC)CC)CC1	ZINC000561414459	545838686	/nfs/dbraw/zinc/83/86/86/545838686.db2.gz	CDUVVEYOMKUPBD-JKSUJKDBSA-N	1	0	351.491	1.463	20	30		FDEDRO
C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)NCC(=O)NCC#N)C1	ZINC000561499733	545876200	/nfs/dbraw/zinc/87/62/00/545876200.db2.gz	TZJIPHWZBCCTJS-IYBDPMFKSA-N	1	0	371.485	1.603	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1	ZINC000561814655	545958544	/nfs/dbraw/zinc/95/85/44/545958544.db2.gz	HJFCQCJQPRKMPM-MRXNPFEDSA-N	1	0	353.507	1.664	20	30		FDEDRO
N#Cc1ccccc1N1CCCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1	ZINC000562819665	546283484	/nfs/dbraw/zinc/28/34/84/546283484.db2.gz	ALBWPMJXMAWDQX-MRXNPFEDSA-N	1	0	363.412	1.777	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)nc1	ZINC000562998246	546348320	/nfs/dbraw/zinc/34/83/20/546348320.db2.gz	DDIIBCCVSBWVER-IAGOWNOFSA-N	1	0	372.450	1.632	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]C2CCN(c3cccnn3)CC2)cc1	ZINC000563003168	546350716	/nfs/dbraw/zinc/35/07/16/546350716.db2.gz	QELHUQQFEGZKPG-QGZVFWFLSA-N	1	0	353.426	1.347	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)s1	ZINC000563445608	546538696	/nfs/dbraw/zinc/53/86/96/546538696.db2.gz	HYJCHSXHJJJBQX-ZFWWWQNUSA-N	1	0	355.485	1.527	20	30		FDEDRO
COc1ccc2c(c1)OC[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C2	ZINC000563707318	546654537	/nfs/dbraw/zinc/65/45/37/546654537.db2.gz	KCBAOVYVDSRQES-OAHLLOKOSA-N	1	0	373.434	1.329	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1	ZINC000563821050	546697850	/nfs/dbraw/zinc/69/78/50/546697850.db2.gz	NXMLSHGLJBWKNG-GOSISDBHSA-N	1	0	364.534	1.476	20	30		FDEDRO
CC[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000564421441	546909927	/nfs/dbraw/zinc/90/99/27/546909927.db2.gz	FIYHOYSUNWUING-FUHWJXTLSA-N	1	0	369.469	1.789	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1	ZINC000564863582	547072215	/nfs/dbraw/zinc/07/22/15/547072215.db2.gz	KRVMTTXZWZXLKZ-ZDUSSCGKSA-N	1	0	359.879	1.039	20	30		FDEDRO
Cn1nccc1N1CCC[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000564865076	547073404	/nfs/dbraw/zinc/07/34/04/547073404.db2.gz	VZOSFXOZBCBMPX-MRXNPFEDSA-N	1	0	373.482	1.324	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](Oc3ccccc3)C2)CC1	ZINC000565655431	547433661	/nfs/dbraw/zinc/43/36/61/547433661.db2.gz	SDKFAJJACUOQIG-PMACEKPBSA-N	1	0	370.497	1.832	20	30		FDEDRO
CC[N@H+](C)C[C@@H](O)CN1CCN([C@H](C#N)c2cccc(Cl)c2)CC1	ZINC000565665996	547438101	/nfs/dbraw/zinc/43/81/01/547438101.db2.gz	NTSLPLVFFXZVAJ-QZTJIDSGSA-N	1	0	350.894	1.835	20	30		FDEDRO
C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000565756242	547467197	/nfs/dbraw/zinc/46/71/97/547467197.db2.gz	QNCMIBLMTDDRFP-QGZVFWFLSA-N	1	0	370.501	1.905	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]CC2(N3CCCC3)CCOCC2)cc1	ZINC000566107043	547606819	/nfs/dbraw/zinc/60/68/19/547606819.db2.gz	DOJKDDKXPMKZPL-LJQANCHMSA-N	1	0	373.497	1.727	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c(OC)c1	ZINC000566110551	547607894	/nfs/dbraw/zinc/60/78/94/547607894.db2.gz	MAQVGGXGWSYAAX-DDBAPUKQSA-N	1	0	374.481	1.762	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1	ZINC000566232510	547672858	/nfs/dbraw/zinc/67/28/58/547672858.db2.gz	QLPUWSZKBMJUIX-NLWGTHIKSA-N	1	0	374.481	1.650	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N1CCC(CO)([NH2+]CC2CC2)CC1	ZINC000566680744	547851100	/nfs/dbraw/zinc/85/11/00/547851100.db2.gz	AGWUKFUEBNAXKC-SFHVURJKSA-N	1	0	357.454	1.599	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)C[NH+]1CCC(C)CC1	ZINC000566867034	547913953	/nfs/dbraw/zinc/91/39/53/547913953.db2.gz	SPNSDYNKNQKICB-CQSZACIVSA-N	1	0	351.472	1.966	20	30		FDEDRO
C[C@H]1COCC[N@@H+]1C1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000567403008	548106143	/nfs/dbraw/zinc/10/61/43/548106143.db2.gz	DFFDKKMPQMDDNT-OXJNMPFZSA-N	1	0	368.481	1.849	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cc1	ZINC000567530478	548151701	/nfs/dbraw/zinc/15/17/01/548151701.db2.gz	SOVATOVBDHRHPN-FQEVSTJZSA-N	1	0	370.453	1.095	20	30		FDEDRO
CC(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(CC#N)cc2)CC1	ZINC000567586958	548171426	/nfs/dbraw/zinc/17/14/26/548171426.db2.gz	NJXZJCPECWDSLW-UHFFFAOYSA-N	1	0	356.470	1.605	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCCN(S(C)(=O)=O)C1	ZINC000567681561	548209604	/nfs/dbraw/zinc/20/96/04/548209604.db2.gz	VTFHULNNNPAWIZ-IRXDYDNUSA-N	1	0	368.499	1.168	20	30		FDEDRO
CN(C(=O)C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)C1CCCCC1	ZINC000567683497	548211094	/nfs/dbraw/zinc/21/10/94/548211094.db2.gz	OYDJXURCRMUPET-GOSISDBHSA-N	1	0	359.470	1.873	20	30		FDEDRO
CSC1(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CCOCC1	ZINC000567689017	548214011	/nfs/dbraw/zinc/21/40/11/548214011.db2.gz	ANSPJVYYRFAAMK-MRXNPFEDSA-N	1	0	350.484	1.994	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1	ZINC000568032700	548370833	/nfs/dbraw/zinc/37/08/33/548370833.db2.gz	NZVHSXMDJDUQJC-AWEZNQCLSA-N	1	0	358.895	1.665	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)Cc1ccc(CC#N)cc1	ZINC000568623654	548611942	/nfs/dbraw/zinc/61/19/42/548611942.db2.gz	SKLZBBKDRPZVSX-KRWDZBQOSA-N	1	0	351.472	1.283	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC(CO)([NH2+]CC2CC2)CC1	ZINC000568633554	548617464	/nfs/dbraw/zinc/61/74/64/548617464.db2.gz	IFCZOPMYXBCUEY-OAHLLOKOSA-N	1	0	356.470	1.712	20	30		FDEDRO
CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+]CCS(=O)(=O)c1cccc(C#N)c1	ZINC000569232998	548844787	/nfs/dbraw/zinc/84/47/87/548844787.db2.gz	RKAASPWYICUKEB-NVXWUHKLSA-N	1	0	363.483	1.615	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(c2cnccc2C#N)CC1	ZINC000569298351	548865233	/nfs/dbraw/zinc/86/52/33/548865233.db2.gz	QXOYMWMVJGKIDP-RHSMWYFYSA-N	1	0	354.458	1.268	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)Cc3ccc(F)cc3C#N)CC[C@@H]21	ZINC000569426762	548912653	/nfs/dbraw/zinc/91/26/53/548912653.db2.gz	SZHCFSGWZORKHC-GUYCJALGSA-N	1	0	351.447	1.943	20	30		FDEDRO
CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC(=O)N(C)C3(C#N)CCCCC3)[C@@H]2C1	ZINC000570314164	549236124	/nfs/dbraw/zinc/23/61/24/549236124.db2.gz	IDOJYJIXTCTRFN-KSZLIROESA-N	1	0	360.502	1.908	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C2CCN(c3ccccn3)CC2)nc1	ZINC000570758042	549400028	/nfs/dbraw/zinc/40/00/28/549400028.db2.gz	RZFOHHSBKOHCJG-UHFFFAOYSA-N	1	0	371.466	1.381	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC1	ZINC000570939148	549468373	/nfs/dbraw/zinc/46/83/73/549468373.db2.gz	DECSLWWVYZWVIM-UHFFFAOYSA-N	1	0	355.442	1.933	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000571031045	549499147	/nfs/dbraw/zinc/49/91/47/549499147.db2.gz	HBGOYGXIKABOCF-JCGIZDLHSA-N	1	0	369.469	1.570	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000571062369	549512946	/nfs/dbraw/zinc/51/29/46/549512946.db2.gz	YYXGSBJJKOXLAS-BMGDILEWSA-N	1	0	369.469	1.428	20	30		FDEDRO
CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)n1)[NH+]1CCCC1	ZINC000571080338	549519400	/nfs/dbraw/zinc/51/94/00/549519400.db2.gz	VMYQIRITZYXZTF-MRXNPFEDSA-N	1	0	357.458	1.909	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@]23CCNC3=O)c(OC)c1	ZINC000571342027	549611446	/nfs/dbraw/zinc/61/14/46/549611446.db2.gz	UBDRXBBVMJXEPR-UZLBHIALSA-N	1	0	360.454	1.518	20	30		FDEDRO
N#CCC[C@H](C#N)C[NH2+]C[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1	ZINC000571382585	549623736	/nfs/dbraw/zinc/62/37/36/549623736.db2.gz	XITQYXWBFDVYMS-MSOLQXFVSA-N	1	0	372.444	1.876	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)CC2)C1=O	ZINC000572477427	549923039	/nfs/dbraw/zinc/92/30/39/549923039.db2.gz	VFUFAEQKGDFRRP-IPMKNSEASA-N	1	0	366.465	1.473	20	30		FDEDRO
C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1cccc(Br)c1C#N	ZINC000572613490	549956005	/nfs/dbraw/zinc/95/60/05/549956005.db2.gz	DKGYBMMAIGQJJL-VHSXEESVSA-N	1	0	358.261	1.821	20	30		FDEDRO
N#CCCC[C@H](NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1ccccc1	ZINC000572736956	549983941	/nfs/dbraw/zinc/98/39/41/549983941.db2.gz	LDQKGEXODFZXBC-ULQDDVLXSA-N	1	0	355.442	1.375	20	30		FDEDRO
COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+][C@H](C)C(=O)NC1(C#N)CCC1	ZINC000573075836	550058095	/nfs/dbraw/zinc/05/80/95/550058095.db2.gz	NGZUJWSOHFFRBR-ZMSDIMECSA-N	1	0	357.454	1.947	20	30		FDEDRO
C/C=C\c1ccc(OC[C@H](O)C[NH2+]CCn2cnc(C#N)n2)c(OC)c1	ZINC000573199770	550085153	/nfs/dbraw/zinc/08/51/53/550085153.db2.gz	FBOZVAKOVMBZAM-ABCZVMIZSA-N	1	0	357.414	1.221	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1	ZINC000573359638	550120556	/nfs/dbraw/zinc/12/05/56/550120556.db2.gz	ZGAAIGNYVYJNEH-UYSNPLJNSA-N	1	0	362.440	1.588	20	30		FDEDRO
CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NCc2ccc(CC#N)cc2)CC1	ZINC000574201013	550274982	/nfs/dbraw/zinc/27/49/82/550274982.db2.gz	IBUWIHLQQSGTPQ-UHFFFAOYSA-N	1	0	356.470	1.748	20	30		FDEDRO
COC[C@@H](C)OC[C@H](O)C[NH2+]C1CCC(Oc2ncccc2C#N)CC1	ZINC000574870871	550384164	/nfs/dbraw/zinc/38/41/64/550384164.db2.gz	BZONBEAPLUZBFH-CCGTUFIJSA-N	1	0	363.458	1.645	20	30		FDEDRO
N#Cc1c2c(cnc1N1CCCN(CC(=O)N3CCCC3)CC1)CCC2	ZINC000576340823	550537243	/nfs/dbraw/zinc/53/72/43/550537243.db2.gz	NQPAPUBKZBMSHF-UHFFFAOYSA-N	1	0	353.470	1.576	20	30		FDEDRO
CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2snc(C)c2C#N)CC1	ZINC000576482407	550554045	/nfs/dbraw/zinc/55/40/45/550554045.db2.gz	HVSKRMIHCYUBAI-UHFFFAOYSA-N	1	0	350.492	1.861	20	30		FDEDRO
Cc1cc(C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)ncc1C#N	ZINC000576713723	550578212	/nfs/dbraw/zinc/57/82/12/550578212.db2.gz	SOLRABQZCYFJHG-HXUWFJFHSA-N	1	0	363.465	1.980	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c(F)c1	ZINC000576850531	550592796	/nfs/dbraw/zinc/59/27/96/550592796.db2.gz	JEMLAJQIFGHSTF-DOTOQJQBSA-N	1	0	367.446	1.604	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c(F)c1	ZINC000576850534	550592971	/nfs/dbraw/zinc/59/29/71/550592971.db2.gz	JEMLAJQIFGHSTF-WBVHZDCISA-N	1	0	367.446	1.604	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](c3cccnc3)C2)CC1	ZINC000577059404	550615731	/nfs/dbraw/zinc/61/57/31/550615731.db2.gz	OBAZSBUZZGQRRB-MOPGFXCFSA-N	1	0	355.486	1.563	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](c3cccnc3)C2)CC1	ZINC000577059407	550615897	/nfs/dbraw/zinc/61/58/97/550615897.db2.gz	OBAZSBUZZGQRRB-RTBURBONSA-N	1	0	355.486	1.563	20	30		FDEDRO
COc1ccc(F)c(N2CC[NH+](C[C@@H]3CNc4c(C#N)cnn4C3)CC2)c1	ZINC000577610298	550675576	/nfs/dbraw/zinc/67/55/76/550675576.db2.gz	BMZPXQDEUVAYSE-AWEZNQCLSA-N	1	0	370.432	1.766	20	30		FDEDRO
C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCC(CCC#N)CC2)CC1	ZINC000577627716	550677234	/nfs/dbraw/zinc/67/72/34/550677234.db2.gz	FYZFKPIAGZUZCW-UHFFFAOYSA-N	1	0	363.506	1.702	20	30		FDEDRO
C=CCOc1cccc(C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1	ZINC000577709231	550685391	/nfs/dbraw/zinc/68/53/91/550685391.db2.gz	DNXZMUGMYGEHLQ-UXHICEINSA-N	1	0	370.497	1.972	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)n1cnc(C#N)n1	ZINC000578060881	550724083	/nfs/dbraw/zinc/72/40/83/550724083.db2.gz	QOUIPIYMKADGPH-BPQIPLTHSA-N	1	0	364.453	1.691	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1	ZINC000578640328	550785944	/nfs/dbraw/zinc/78/59/44/550785944.db2.gz	TZKGABNQSXUHMK-JSGCOSHPSA-N	1	0	368.840	1.380	20	30		FDEDRO
N#Cc1ncn(CC[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)n1	ZINC000578642382	550786289	/nfs/dbraw/zinc/78/62/89/550786289.db2.gz	DAJNDCXQIYUISV-LLVKDONJSA-N	1	0	356.213	1.486	20	30		FDEDRO
CO[C@]1(C)C[C@@H](N(C)CCS(=O)(=O)c2ccc(C#N)cn2)C1(C)C	ZINC000578657827	550787896	/nfs/dbraw/zinc/78/78/96/550787896.db2.gz	AIKJPPKORZSCOD-RHSMWYFYSA-N	1	0	351.472	1.862	20	30		FDEDRO
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(S(=O)(=O)CCC(C)(C)C#N)CC1	ZINC000578680647	550790280	/nfs/dbraw/zinc/79/02/80/550790280.db2.gz	YQCOOLGQGJVCGW-IAGOWNOFSA-N	1	0	370.563	1.746	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+][C@@H]3CCCN(C(=O)N4CCCC4)C3)cnc12	ZINC000579354805	550864651	/nfs/dbraw/zinc/86/46/51/550864651.db2.gz	MHCOAKHPAJJUSY-MRXNPFEDSA-N	1	0	353.430	1.371	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H](O)CN(C)CCC#N)cc1Br	ZINC000579704023	550901554	/nfs/dbraw/zinc/90/15/54/550901554.db2.gz	VNTBLSGJJHLFIT-CYBMUJFWSA-N	1	0	356.264	1.754	20	30		FDEDRO
CC(C)(C#N)CCS(=O)(=O)NC[C@@H](O)CN1CCc2ccccc2C1	ZINC000579932657	550924742	/nfs/dbraw/zinc/92/47/42/550924742.db2.gz	RPEJXBXUKXWFHC-QGZVFWFLSA-N	1	0	365.499	1.265	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)N3C[C@H]4CC[NH2+]C[C@H]4C3)CC2)cc1	ZINC000579942127	550925877	/nfs/dbraw/zinc/92/58/77/550925877.db2.gz	BBHUAMDIYRPEJY-MOPGFXCFSA-N	1	0	364.449	1.242	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1	ZINC000579964811	550929071	/nfs/dbraw/zinc/92/90/71/550929071.db2.gz	VDONIBOLRIHXGI-UHFFFAOYSA-N	1	0	359.430	1.452	20	30		FDEDRO
C[NH+]1CCC(n2ccc(=NC(=O)C(=O)Nc3ccc(C#N)c(F)c3)[nH]2)CC1	ZINC000580082468	550941921	/nfs/dbraw/zinc/94/19/21/550941921.db2.gz	FMNZZUGASBHIHQ-UHFFFAOYSA-N	1	0	370.388	1.738	20	30		FDEDRO
CN(C)C(=O)c1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cc1	ZINC000580143521	550947412	/nfs/dbraw/zinc/94/74/12/550947412.db2.gz	RHHKWGULLHABOV-UHFFFAOYSA-N	1	0	371.462	1.824	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CCCNC(=O)[C@@H]2CC=CCC2)c1C#N	ZINC000580143849	550947453	/nfs/dbraw/zinc/94/74/53/550947453.db2.gz	IBMODWPZXHQZRG-CQSZACIVSA-N	1	0	372.473	1.625	20	30		FDEDRO
Cc1cccc(OC[C@@H](O)C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)c1	ZINC000580431556	550981693	/nfs/dbraw/zinc/98/16/93/550981693.db2.gz	QTIGZXVKIYBAHV-ROUUACIJSA-N	1	0	356.422	1.636	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)n(CCC#N)n1	ZINC000580592475	550998460	/nfs/dbraw/zinc/99/84/60/550998460.db2.gz	XXUOQTKLZLGPQP-GJZGRUSLSA-N	1	0	358.446	1.129	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)n2)c(Cl)c1	ZINC000580999896	551041749	/nfs/dbraw/zinc/04/17/49/551041749.db2.gz	FPHCNUQOIIWMTE-ZIAGYGMSSA-N	1	0	370.844	2.471	20	30		FDEDRO
C[C@H]1CN(Cc2cccc(C[NH2+]C[C@H](O)CN(C)CCC#N)c2)CCO1	ZINC000581066861	551048323	/nfs/dbraw/zinc/04/83/23/551048323.db2.gz	ZCZGFMQKHOQATC-PXNSSMCTSA-N	1	0	360.502	1.203	20	30		FDEDRO
C[N@H+](CCOc1cccc(CNc2ncncc2C#N)c1)C1CCOCC1	ZINC000582297939	551203598	/nfs/dbraw/zinc/20/35/98/551203598.db2.gz	PUHFHHNSEXDGSE-UHFFFAOYSA-N	1	0	367.453	1.872	20	30		FDEDRO
C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000582409927	551219960	/nfs/dbraw/zinc/21/99/60/551219960.db2.gz	JDODAYCTDSCAOI-LHUBUQBQSA-N	1	0	357.458	1.940	20	30		FDEDRO
N#Cc1cnc2ccccc2c1N1CCN(C(=O)NC[C@H]([NH3+])C2CC2)CC1	ZINC000582894813	551278405	/nfs/dbraw/zinc/27/84/05/551278405.db2.gz	QPYNGLQMRSUISD-KRWDZBQOSA-N	1	0	364.453	1.675	20	30		FDEDRO
N#Cc1cnc2ccccc2c1N1CCN(C(=O)NC[C@@H]([NH3+])C2CC2)CC1	ZINC000582894814	551278423	/nfs/dbraw/zinc/27/84/23/551278423.db2.gz	QPYNGLQMRSUISD-QGZVFWFLSA-N	1	0	364.453	1.675	20	30		FDEDRO
Cc1cccc(C[C@H](CO)[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)c1	ZINC000583024544	551292840	/nfs/dbraw/zinc/29/28/40/551292840.db2.gz	BUVCPOBPLQXJFO-GOSISDBHSA-N	1	0	358.463	1.834	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1	ZINC000583574657	551372000	/nfs/dbraw/zinc/37/20/00/551372000.db2.gz	FXTIWJGZGJYBGJ-QGZVFWFLSA-N	1	0	350.507	1.087	20	30		FDEDRO
C[C@@H]1C[NH+](C[C@@H]2CCCN2Cc2cnc3c(C#N)cnn3c2)C[C@@H](C)O1	ZINC000583631588	551379616	/nfs/dbraw/zinc/37/96/16/551379616.db2.gz	KTGVKISQOCGPAL-RKVPGOIHSA-N	1	0	354.458	1.675	20	30		FDEDRO
N#Cc1cccc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)n1	ZINC000583692268	551388782	/nfs/dbraw/zinc/38/87/82/551388782.db2.gz	RNTPBLDYMSPJGY-WMZOPIPTSA-N	1	0	365.437	1.958	20	30		FDEDRO
Cc1nnc([C@@H]2CC[N@@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)[nH]1	ZINC000583739104	551394578	/nfs/dbraw/zinc/39/45/78/551394578.db2.gz	ALKYYCHRKGDEDW-NVXWUHKLSA-N	1	0	350.426	1.970	20	30		FDEDRO
CC(C)(C#N)CCS(=O)(=O)N1CCC(OCC[NH+]2CCCC2)CC1	ZINC000583899348	551418257	/nfs/dbraw/zinc/41/82/57/551418257.db2.gz	LSQWOQUNUQTZIS-UHFFFAOYSA-N	1	0	357.520	1.833	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)n1)[NH+]1CCC(C)CC1	ZINC000584051677	551439789	/nfs/dbraw/zinc/43/97/89/551439789.db2.gz	LBMNEZTYXZEKPU-MRXNPFEDSA-N	1	0	357.458	1.764	20	30		FDEDRO
Cn1c(S[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(C#N)c(=O)n(C)c1=O	ZINC000584109324	551448330	/nfs/dbraw/zinc/44/83/30/551448330.db2.gz	OBTRWVOPHJCEFL-HNNXBMFYSA-N	1	0	370.478	1.712	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)cc1C#N	ZINC000584481219	551504016	/nfs/dbraw/zinc/50/40/16/551504016.db2.gz	FSJRZMMMFGPWOL-DOTOQJQBSA-N	1	0	360.414	1.516	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1	ZINC000584546366	551515332	/nfs/dbraw/zinc/51/53/32/551515332.db2.gz	VXADLRDUUCPWOX-UHFFFAOYSA-N	1	0	374.397	1.087	20	30		FDEDRO
C[N@H+](CCOCc1ccc(C#N)cc1)C[C@H]1CCCN(S(C)(=O)=O)C1	ZINC000584553065	551516362	/nfs/dbraw/zinc/51/63/62/551516362.db2.gz	DVNWMWBCUWOCQI-GOSISDBHSA-N	1	0	365.499	1.678	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)NC[C@]3(C)CCC[NH2+]C3)CC2)c1C#N	ZINC000584580647	551521362	/nfs/dbraw/zinc/52/13/62/551521362.db2.gz	VHLTUBHFXWEBSX-QGZVFWFLSA-N	1	0	362.503	1.545	20	30		FDEDRO
C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C1CCN(CC#N)CC1	ZINC000585725079	551587825	/nfs/dbraw/zinc/58/78/25/551587825.db2.gz	GPRDJXUPXVNTLY-LBPRGKRZSA-N	1	0	353.264	1.577	20	30		FDEDRO
C[C@@H]1CCC[C@](CNC(=O)C(=O)NCc2ccc(C#N)cc2F)([NH+](C)C)C1	ZINC000585775503	551597448	/nfs/dbraw/zinc/59/74/48/551597448.db2.gz	JZSABBZMPGLZKC-VLIAUNLRSA-N	1	0	374.460	1.940	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1	ZINC000586778614	551618894	/nfs/dbraw/zinc/61/88/94/551618894.db2.gz	CLXOWIFRCLXIJK-BFYDXBDKSA-N	1	0	372.387	1.985	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)C1	ZINC000586831613	551623661	/nfs/dbraw/zinc/62/36/61/551623661.db2.gz	VACKRSIZQDUGNU-RDJZCZTQSA-N	1	0	356.470	1.972	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)c(F)c1	ZINC000586865008	551628281	/nfs/dbraw/zinc/62/82/81/551628281.db2.gz	XPCAIODFNWRHOK-UHFFFAOYSA-N	1	0	372.444	1.790	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C#N)c1	ZINC000587715713	551634579	/nfs/dbraw/zinc/63/45/79/551634579.db2.gz	FZTCYXIOISPZJS-OWCLPIDISA-N	1	0	372.469	1.351	20	30		FDEDRO
C[C@@H]1[C@H](NC(=O)NC2CCN(CC#N)CC2)CC[N@@H+]1Cc1ccccc1	ZINC000588341460	551667940	/nfs/dbraw/zinc/66/79/40/551667940.db2.gz	QWBFHKFROSSERR-VQIMIIECSA-N	1	0	355.486	1.937	20	30		FDEDRO
CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2cnccc2C#N)CC1	ZINC000589901434	551750454	/nfs/dbraw/zinc/75/04/54/551750454.db2.gz	RMRKUAQZZBJLSZ-KRWDZBQOSA-N	1	0	356.474	1.659	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1	ZINC000590243115	551767147	/nfs/dbraw/zinc/76/71/47/551767147.db2.gz	LALPPYPBBKZIOG-KRWDZBQOSA-N	1	0	355.486	1.523	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)[C@@H]2C1	ZINC000590282864	551770394	/nfs/dbraw/zinc/77/03/94/551770394.db2.gz	XIUMWLRDYJXEAH-SMDDNHRTSA-N	1	0	366.343	1.678	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)c1	ZINC000590304029	551771535	/nfs/dbraw/zinc/77/15/35/551771535.db2.gz	JKVXICKJVDHPRC-IBGZPJMESA-N	1	0	356.470	1.951	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000590333848	551774298	/nfs/dbraw/zinc/77/42/98/551774298.db2.gz	SVWJVAKFJFKJQT-OAQYLSRUSA-N	1	0	364.449	1.971	20	30		FDEDRO
CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1	ZINC000590831706	551820838	/nfs/dbraw/zinc/82/08/38/551820838.db2.gz	MZYBIKLANOXOCM-HIFRSBDPSA-N	1	0	364.471	1.930	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](CCNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000590921929	551826976	/nfs/dbraw/zinc/82/69/76/551826976.db2.gz	XLTNIOPXFYHYKX-INIZCTEOSA-N	1	0	370.501	1.953	20	30		FDEDRO
COC(=O)[C@H]1CN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC[N@H+](C)C1	ZINC000591225137	551851707	/nfs/dbraw/zinc/85/17/07/551851707.db2.gz	JOEKSIILELZWRA-SJLPKXTDSA-N	1	0	370.453	1.090	20	30		FDEDRO
COC(=O)[C@H]1CN(C(=O)c2cc3ccccc3n2CC#N)CC[N@H+](C)C1	ZINC000591225180	551851718	/nfs/dbraw/zinc/85/17/18/551851718.db2.gz	ZPGNLBKSOCKJGT-OAHLLOKOSA-N	1	0	354.410	1.342	20	30		FDEDRO
N#Cc1cccc(Oc2ccc(NC(=O)NCCN3CC[NH2+]CC3)cn2)c1	ZINC000591278019	551855739	/nfs/dbraw/zinc/85/57/39/551855739.db2.gz	JBQHRAUFJJHDBM-UHFFFAOYSA-N	1	0	366.425	1.772	20	30		FDEDRO
N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)cn2)cc1	ZINC000591288872	551856770	/nfs/dbraw/zinc/85/67/70/551856770.db2.gz	HPBKASPLBIYJBQ-CQSZACIVSA-N	1	0	365.393	1.634	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@H](C)[C@@H]3CCC[NH2+]C3)CC2)c1C#N	ZINC000591359146	551865918	/nfs/dbraw/zinc/86/59/18/551865918.db2.gz	QNQQTQINXXVEQF-TZMCWYRMSA-N	1	0	362.503	1.543	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1	ZINC000591360465	551866241	/nfs/dbraw/zinc/86/62/41/551866241.db2.gz	YNYZYFMOBINYMJ-ZIAGYGMSSA-N	1	0	358.446	1.525	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]CCCN2CCCCCC2=O)c1	ZINC000591723112	551903348	/nfs/dbraw/zinc/90/33/48/551903348.db2.gz	CTXQGMLQCRZCSG-UHFFFAOYSA-N	1	0	363.483	1.714	20	30		FDEDRO
CCc1nc(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cs1	ZINC000591734222	551904789	/nfs/dbraw/zinc/90/47/89/551904789.db2.gz	KJIVLRGSQJTVAQ-UHFFFAOYSA-N	1	0	350.469	1.578	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)cc1	ZINC000591754191	551906424	/nfs/dbraw/zinc/90/64/24/551906424.db2.gz	HFOGFPNPZGIDBO-RBUKOAKNSA-N	1	0	371.481	1.873	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1	ZINC000591876243	551912869	/nfs/dbraw/zinc/91/28/69/551912869.db2.gz	AXPVSKIFZYYDSR-CQSZACIVSA-N	1	0	368.441	1.474	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@](O)(CC#N)C2)[C@H](C)C1	ZINC000591962705	551921010	/nfs/dbraw/zinc/92/10/10/551921010.db2.gz	AHWGQZGWPUZMBO-SOLBZPMBSA-N	1	0	352.479	1.183	20	30		FDEDRO
N#CCc1ccc(CS(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1	ZINC000592030893	551929084	/nfs/dbraw/zinc/92/90/84/551929084.db2.gz	MQPNPTYUCCOLBB-KRWDZBQOSA-N	1	0	351.472	1.019	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccc(CCNS(C)(=O)=O)s2)CC1	ZINC000592069422	551935597	/nfs/dbraw/zinc/93/55/97/551935597.db2.gz	JOIDXSJODAKADH-UHFFFAOYSA-N	1	0	371.528	1.220	20	30		FDEDRO
C[N@H+]1C[C@@H](c2ccccc2)[C@H](CNS(=O)(=O)c2cccnc2C#N)C1	ZINC000592088799	551938858	/nfs/dbraw/zinc/93/88/58/551938858.db2.gz	LSNWKBLGPNFYCE-CVEARBPZSA-N	1	0	356.451	1.577	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CCO1	ZINC000592373983	551985536	/nfs/dbraw/zinc/98/55/36/551985536.db2.gz	FXDORDOMZRKWNN-TVQRCGJNSA-N	1	0	374.260	1.057	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@H](O)Cc2cccc(F)c2)c1	ZINC000592431604	551994391	/nfs/dbraw/zinc/99/43/91/551994391.db2.gz	OUSWIZZOILDITH-QGZVFWFLSA-N	1	0	362.426	1.664	20	30		FDEDRO
C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000592441967	551996076	/nfs/dbraw/zinc/99/60/76/551996076.db2.gz	BXSRNXXXLFNYII-ZIAGYGMSSA-N	1	0	358.442	1.170	20	30		FDEDRO
COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)C1	ZINC000592528646	552005437	/nfs/dbraw/zinc/00/54/37/552005437.db2.gz	AGIGSSHDMUXZLA-JKSUJKDBSA-N	1	0	362.426	1.734	20	30		FDEDRO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(-c2cccc(C#N)c2)no1	ZINC000592875403	552037571	/nfs/dbraw/zinc/03/75/71/552037571.db2.gz	XLOPKVFJLXUGOC-ZDUSSCGKSA-N	1	0	367.409	1.405	20	30		FDEDRO
COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1	ZINC000593018395	552053373	/nfs/dbraw/zinc/05/33/73/552053373.db2.gz	JDSBUXSYOYPENA-UHFFFAOYSA-N	1	0	372.385	1.623	20	30		FDEDRO
CCN(CCC#N)C(=O)CN1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21	ZINC000593067340	552057796	/nfs/dbraw/zinc/05/77/96/552057796.db2.gz	JZAZYVIZLSMJDS-VQTJNVASSA-N	1	0	370.497	1.724	20	30		FDEDRO
Cc1c2cc(C#N)ccc2sc1C(=O)N1CCN(CC[NH+](C)C)C(=O)C1	ZINC000593235332	552075552	/nfs/dbraw/zinc/07/55/52/552075552.db2.gz	NZESCQXUBPLCBC-UHFFFAOYSA-N	1	0	370.478	1.927	20	30		FDEDRO
Cc1ccn(CC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c(=O)c1	ZINC000593350766	552094267	/nfs/dbraw/zinc/09/42/67/552094267.db2.gz	GNFZFZQYIRYFBM-UHFFFAOYSA-N	1	0	364.449	1.809	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc4n(n3)CCCO4)CC2)c1	ZINC000593350121	552094272	/nfs/dbraw/zinc/09/42/72/552094272.db2.gz	AXEMVAZEBSTAHV-UHFFFAOYSA-N	1	0	365.437	1.932	20	30		FDEDRO
COCC[C@@H](COC)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593406182	552103888	/nfs/dbraw/zinc/10/38/88/552103888.db2.gz	DCTFYDLCBFOBPP-IBGZPJMESA-N	1	0	374.485	1.873	20	30		FDEDRO
C[NH+]1CCC(O)(CNC(=O)Cc2ccc(Br)cc2C#N)CC1	ZINC000593497615	552117937	/nfs/dbraw/zinc/11/79/37/552117937.db2.gz	KIRDMWWGPRNYDB-UHFFFAOYSA-N	1	0	366.259	1.436	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCn4cnnc4C3)CC2)c1	ZINC000593511312	552119667	/nfs/dbraw/zinc/11/96/67/552119667.db2.gz	KFDMFMWXDOSUTK-UHFFFAOYSA-N	1	0	365.441	1.340	20	30		FDEDRO
CN(C[C@@H](O)C1CC1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593511944	552120156	/nfs/dbraw/zinc/12/01/56/552120156.db2.gz	HFBRDHUAIDLNHV-LJQANCHMSA-N	1	0	356.470	1.935	20	30		FDEDRO
Cn1ncc2c1nc(NC1CC[NH+](Cc3cccc(C#N)c3)CC1)nc2N	ZINC000593514454	552120854	/nfs/dbraw/zinc/12/08/54/552120854.db2.gz	AZWCCMYLKDQPCC-UHFFFAOYSA-N	1	0	362.441	1.894	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1	ZINC000593541076	552127404	/nfs/dbraw/zinc/12/74/04/552127404.db2.gz	MKYQBEUVZVZKSU-AWEZNQCLSA-N	1	0	363.439	1.204	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000593553990	552131866	/nfs/dbraw/zinc/13/18/66/552131866.db2.gz	VVDMMMGWGVHGNJ-WCQYABFASA-N	1	0	351.428	1.106	20	30		FDEDRO
CC[NH+]1CCN(CCNS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)CC1	ZINC000593582653	552143362	/nfs/dbraw/zinc/14/33/62/552143362.db2.gz	WJLIQIDKBYCARJ-UHFFFAOYSA-N	1	0	364.515	1.404	20	30		FDEDRO
CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(C#N)cc1C(=O)OC	ZINC000593590884	552145486	/nfs/dbraw/zinc/14/54/86/552145486.db2.gz	KFTXAYJFIALTIU-AWEZNQCLSA-N	1	0	365.455	1.450	20	30		FDEDRO
C[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)[C@H]1CC[NH3+]	ZINC000593731392	552185664	/nfs/dbraw/zinc/18/56/64/552185664.db2.gz	VGBNTOQPXSUQMF-YPMHNXCESA-N	1	0	352.416	1.604	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCCC1CC[NH2+]CC1	ZINC000593783968	552196682	/nfs/dbraw/zinc/19/66/82/552196682.db2.gz	LUHAUAXFCOBKDF-UHFFFAOYSA-N	1	0	354.454	1.579	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)c3nccn4ccnc34)CC2)c1	ZINC000593884059	552216732	/nfs/dbraw/zinc/21/67/32/552216732.db2.gz	SROLLJHMCKNUKD-UHFFFAOYSA-N	1	0	360.421	1.995	20	30		FDEDRO
Cc1nc(SCC(=O)N(C)CCN2CC[NH2+]CC2)c(C#N)c(C)c1C	ZINC000593903883	552222714	/nfs/dbraw/zinc/22/27/14/552222714.db2.gz	FUTMEZVWSOZNAL-UHFFFAOYSA-N	1	0	361.515	1.334	20	30		FDEDRO
N#Cc1ccc2c(c1)CN(C(=O)NC1CC[NH+]([C@H]3CCC[C@@H]3O)CC1)C2	ZINC000594231619	552268213	/nfs/dbraw/zinc/26/82/13/552268213.db2.gz	RJBKEYILWCKHOX-OALUTQOASA-N	1	0	354.454	1.961	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)Cc3ccc(C#N)cc3)C2)CC1	ZINC000594281168	552276675	/nfs/dbraw/zinc/27/66/75/552276675.db2.gz	CBAGKXMZJSFRGB-YLJYHZDGSA-N	1	0	354.498	1.975	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000594299705	552281935	/nfs/dbraw/zinc/28/19/35/552281935.db2.gz	NSJUEXLMMNJUII-XLIONFOSSA-N	1	0	370.497	1.260	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1	ZINC000594311395	552284646	/nfs/dbraw/zinc/28/46/46/552284646.db2.gz	FQWOATCWBFAJKE-MELADBBJSA-N	1	0	358.442	1.419	20	30		FDEDRO
C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CCCCC#N)c1	ZINC000594342210	552292289	/nfs/dbraw/zinc/29/22/89/552292289.db2.gz	AHBRFJISMWPJHT-UHFFFAOYSA-N	1	0	352.460	1.549	20	30		FDEDRO
Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)[C@@H]([NH3+])CCCCC#N)c1C	ZINC000594428534	552308596	/nfs/dbraw/zinc/30/85/96/552308596.db2.gz	YYOQIXCZBLAJIG-HNNXBMFYSA-N	1	0	366.487	1.904	20	30		FDEDRO
C[C@@H]1CN(Cc2cccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)c2)CCO1	ZINC000594438657	552310264	/nfs/dbraw/zinc/31/02/64/552310264.db2.gz	PKFNXOWCKXGYGG-APWZRJJASA-N	1	0	358.486	1.935	20	30		FDEDRO
CC(C)(C#N)c1ccc(C[NH2+]CCNS(=O)(=O)Cc2ccon2)cc1	ZINC000594497226	552326101	/nfs/dbraw/zinc/32/61/01/552326101.db2.gz	DVUOJKXJJNONTA-UHFFFAOYSA-N	1	0	362.455	1.685	20	30		FDEDRO
Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@H](CC#N)C1	ZINC000594801030	552389803	/nfs/dbraw/zinc/38/98/03/552389803.db2.gz	JBERRWKTDARRLG-OAHLLOKOSA-N	1	0	353.492	1.376	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1	ZINC000595108551	552453578	/nfs/dbraw/zinc/45/35/78/552453578.db2.gz	SHGXKLXIHAIAGQ-HNNXBMFYSA-N	1	0	359.474	1.193	20	30		FDEDRO
Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC[C@@H]1C[NH2+]CCCO1	ZINC000595109784	552453870	/nfs/dbraw/zinc/45/38/70/552453870.db2.gz	PQCAVKFRQPJOFA-ZDUSSCGKSA-N	1	0	365.480	1.738	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)s1	ZINC000595113435	552454874	/nfs/dbraw/zinc/45/48/74/552454874.db2.gz	NBWLNVPOZPPHKK-BNOWGMLFSA-N	1	0	355.485	1.669	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[NH2+]C2(CCC2)C1	ZINC000595121330	552458050	/nfs/dbraw/zinc/45/80/50/552458050.db2.gz	WVVAAOFMGZJJMT-NSHDSACASA-N	1	0	350.400	1.419	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)C1	ZINC000595146326	552467335	/nfs/dbraw/zinc/46/73/35/552467335.db2.gz	XQIOBWGRRKTCPA-HLIPFELVSA-N	1	0	360.502	1.862	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc1F	ZINC000595239989	552502348	/nfs/dbraw/zinc/50/23/48/552502348.db2.gz	JMVXULGMETVSRW-HNNXBMFYSA-N	1	0	358.417	1.874	20	30		FDEDRO
COC(=O)[C@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccccc1Br	ZINC000595255729	552506160	/nfs/dbraw/zinc/50/61/60/552506160.db2.gz	AYVPWAKYVJCKQI-CHWSQXEVSA-N	1	0	368.231	1.801	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NC1(CN2CCN(c3ccccc3)CC2)CC1	ZINC000595258412	552506570	/nfs/dbraw/zinc/50/65/70/552506570.db2.gz	UWLNXNATTWJNMN-SFHVURJKSA-N	1	0	355.486	1.479	20	30		FDEDRO
C[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H](C[NH3+])C1	ZINC000595273776	552509964	/nfs/dbraw/zinc/50/99/64/552509964.db2.gz	IEOLOLVKRSJSAL-JLSDUUJJSA-N	1	0	369.469	1.428	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CCCCC1	ZINC000595278896	552510704	/nfs/dbraw/zinc/51/07/04/552510704.db2.gz	SOMPRFCIIYRHMS-KRWDZBQOSA-N	1	0	354.454	1.661	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)c1ccc(C#N)cc1	ZINC000595279734	552511035	/nfs/dbraw/zinc/51/10/35/552511035.db2.gz	RIQSJROTODJKQF-KXBFYZLASA-N	1	0	368.481	1.974	20	30		FDEDRO
CC(C)[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2C#N)CC[NH2+]1	ZINC000595412961	552554414	/nfs/dbraw/zinc/55/44/14/552554414.db2.gz	PXXZNTIJKNIQRT-CYBMUJFWSA-N	1	0	372.288	1.939	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1	ZINC000595525713	552578771	/nfs/dbraw/zinc/57/87/71/552578771.db2.gz	GSTDIIXKFXJCET-KRWDZBQOSA-N	1	0	358.442	1.490	20	30		FDEDRO
CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)C1	ZINC000595630896	552594953	/nfs/dbraw/zinc/59/49/53/552594953.db2.gz	CIIVEWHTPGWHTD-BRWVUGGUSA-N	1	0	351.491	1.827	20	30		FDEDRO
C[C@H](NC(=O)C[NH2+]C(C)(C)c1cccc(C#N)c1)C(=O)N1CCCCC1	ZINC000595634419	552595856	/nfs/dbraw/zinc/59/58/56/552595856.db2.gz	CBRDQPXUUUZANS-HNNXBMFYSA-N	1	0	356.470	1.900	20	30		FDEDRO
CCN(C(=O)C[NH2+]C(C)(C)c1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000595643710	552596384	/nfs/dbraw/zinc/59/63/84/552596384.db2.gz	YWIMSGOJRFMYFE-MRXNPFEDSA-N	1	0	363.483	1.419	20	30		FDEDRO
C=CC[C@@]1(C(=O)Nc2cccc(-n3cc(C(=O)OC)nn3)c2)CCC[NH2+]1	ZINC000595952219	552637741	/nfs/dbraw/zinc/63/77/41/552637741.db2.gz	NIACXKBXCGZQNY-SFHVURJKSA-N	1	0	355.398	1.691	20	30		FDEDRO
CC1(C)C[NH2+][C@H]1C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595970787	552640193	/nfs/dbraw/zinc/64/01/93/552640193.db2.gz	NRPTZMRIEKCXEE-SFHVURJKSA-N	1	0	364.453	1.595	20	30		FDEDRO
N#CC1(C(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CCCC1	ZINC000595986699	552641591	/nfs/dbraw/zinc/64/15/91/552641591.db2.gz	REECGPQMYHZVHZ-HNNXBMFYSA-N	1	0	356.474	1.609	20	30		FDEDRO
CCc1nc(C#N)cc(NCCCC[NH+]2CCN(c3ncccn3)CC2)n1	ZINC000596106451	552655644	/nfs/dbraw/zinc/65/56/44/552655644.db2.gz	CTDRCWHMALKKBA-UHFFFAOYSA-N	1	0	366.473	1.715	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1ccc(NC(=O)CC2(C#N)CCOCC2)cc1	ZINC000596786691	552710299	/nfs/dbraw/zinc/71/02/99/552710299.db2.gz	MGGONIPBSGEPEN-UHFFFAOYSA-N	1	0	358.442	1.627	20	30		FDEDRO
CO[C@]1(CO)CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1	ZINC000597186751	552759017	/nfs/dbraw/zinc/75/90/17/552759017.db2.gz	IHQKWSXFNGZORU-LJQANCHMSA-N	1	0	355.442	1.832	20	30		FDEDRO
C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCCCCC#N)C1	ZINC000597258310	552766079	/nfs/dbraw/zinc/76/60/79/552766079.db2.gz	ZRJXOAZOVWBLAC-GOSISDBHSA-N	1	0	356.470	1.572	20	30		FDEDRO
Cc1oc(C#N)cc1C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000597692942	552822820	/nfs/dbraw/zinc/82/28/20/552822820.db2.gz	RFKVZDLVBCCYGN-YOEHRIQHSA-N	1	0	360.458	1.767	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000597926379	552846512	/nfs/dbraw/zinc/84/65/12/552846512.db2.gz	ZUHKQTLGDOYKDG-OAHLLOKOSA-N	1	0	352.442	1.929	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC2(C#N)CCCCC2)CC1=O	ZINC000598304334	552884604	/nfs/dbraw/zinc/88/46/04/552884604.db2.gz	KGYXBSCZZAQKNK-SJORKVTESA-N	1	0	360.502	1.909	20	30		FDEDRO
N#Cc1cccc(-c2cc(C(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)on2)c1	ZINC000598450683	552896709	/nfs/dbraw/zinc/89/67/09/552896709.db2.gz	FXNWYKQGYGDRMS-QGZVFWFLSA-N	1	0	366.421	1.884	20	30		FDEDRO
CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)C[C@@H](O)CC(C)(C)C#N)C1	ZINC000598589573	552912333	/nfs/dbraw/zinc/91/23/33/552912333.db2.gz	JOXXKBVNJDSENP-GJZGRUSLSA-N	1	0	353.463	1.021	20	30		FDEDRO
CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)C[C@@H](O)CC(C)(C)C#N)C1	ZINC000598589562	552912370	/nfs/dbraw/zinc/91/23/70/552912370.db2.gz	JOXXKBVNJDSENP-CABCVRRESA-N	1	0	353.463	1.021	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[N@@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1	ZINC000598625399	552917562	/nfs/dbraw/zinc/91/75/62/552917562.db2.gz	PFRBXGQFEFUPPD-ZACQAIPSSA-N	1	0	355.438	1.404	20	30		FDEDRO
CC(C)NS(=O)(=O)c1cccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)c1	ZINC000598714738	552927699	/nfs/dbraw/zinc/92/76/99/552927699.db2.gz	JVIALZHMOMNPFJ-OAHLLOKOSA-N	1	0	353.488	1.764	20	30		FDEDRO
CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]C[C@@H](O)CC(C)(C)C#N	ZINC000598714101	552927778	/nfs/dbraw/zinc/92/77/78/552927778.db2.gz	FQFMZLGOTKKCPI-KRWDZBQOSA-N	1	0	367.515	1.905	20	30		FDEDRO
C[NH+](C)C1CC(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1	ZINC000598718532	552928049	/nfs/dbraw/zinc/92/80/49/552928049.db2.gz	KEFZVJQJUBHEHG-OPFPJEHXSA-N	1	0	360.845	1.773	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[NH2+]Cc1cccc(OCCN2CCOCC2)c1	ZINC000598718371	552928055	/nfs/dbraw/zinc/92/80/55/552928055.db2.gz	ALDNNUCNTPWUST-SFHVURJKSA-N	1	0	361.486	1.788	20	30		FDEDRO
COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1	ZINC000599263247	553007527	/nfs/dbraw/zinc/00/75/27/553007527.db2.gz	FNSVPMOBEVOAEU-YVSFHVDLSA-N	1	0	350.459	1.864	20	30		FDEDRO
C[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)CC(C)(C)CN1CCOCC1	ZINC000599336471	553030975	/nfs/dbraw/zinc/03/09/75/553030975.db2.gz	NCOWOGBVELLCIP-KRWDZBQOSA-N	1	0	353.507	1.348	20	30		FDEDRO
COC(=O)C(C)(C)[C@H]1CCC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000599345486	553032550	/nfs/dbraw/zinc/03/25/50/553032550.db2.gz	RNXVFDZEBMPADB-HOTGVXAUSA-N	1	0	352.475	1.969	20	30		FDEDRO
C[C@H]([NH2+]C[C@H](O)CC1(C#N)CC1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000599347834	553033649	/nfs/dbraw/zinc/03/36/49/553033649.db2.gz	BNRNIKOUNGAYQB-DZGCQCFKSA-N	1	0	351.472	1.642	20	30		FDEDRO
C[N@H+](C[C@H](O)COc1ccccc1C#N)[C@H](CC(N)=O)c1ccccc1	ZINC000599390604	553043630	/nfs/dbraw/zinc/04/36/30/553043630.db2.gz	NHHHTKDYCWPORD-ZWKOTPCHSA-N	1	0	353.422	1.846	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)CC1(C)COC1	ZINC000599571355	553092072	/nfs/dbraw/zinc/09/20/72/553092072.db2.gz	DMYPWXNITUWQBV-OAHLLOKOSA-N	1	0	362.499	1.425	20	30		FDEDRO
N#CCCCN1c2ccc(NC(=O)NCCOCCC[NH3+])cc2CCC1=O	ZINC000599605903	553101530	/nfs/dbraw/zinc/10/15/30/553101530.db2.gz	HJIGODLNRHFAIH-UHFFFAOYSA-N	1	0	373.457	1.756	20	30		FDEDRO
C[NH2+]CCOCCN(C)C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1	ZINC000599607442	553101909	/nfs/dbraw/zinc/10/19/09/553101909.db2.gz	YBGOZQUSDXTHON-ZDUSSCGKSA-N	1	0	368.459	1.072	20	30		FDEDRO
N#Cc1ccc(C2(NC(=O)N[C@@H](C[NH3+])C(F)(F)F)CCOCC2)cc1	ZINC000599607083	553101923	/nfs/dbraw/zinc/10/19/23/553101923.db2.gz	KHBZJHUVSXANKD-ZDUSSCGKSA-N	1	0	356.348	1.753	20	30		FDEDRO
CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1	ZINC000599607421	553101942	/nfs/dbraw/zinc/10/19/42/553101942.db2.gz	XBCYWEYNRYBXHD-TUKIKUTGSA-N	1	0	350.444	1.634	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)NC[C@]1(CO)COCC2(CCC2)N1C	ZINC000599755689	553138841	/nfs/dbraw/zinc/13/88/41/553138841.db2.gz	MKZPRYLOOAJXIY-IBGZPJMESA-N	1	0	358.442	1.604	20	30		FDEDRO
CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1cc(OC)c(C#N)cc1F	ZINC000599811463	553153898	/nfs/dbraw/zinc/15/38/98/553153898.db2.gz	AVNURNVVYAEUSJ-ZDUSSCGKSA-N	1	0	352.410	1.920	20	30		FDEDRO
COc1cc(NC(=O)NCCN2CCC([NH+](C)C)CC2)c(F)cc1C#N	ZINC000599818764	553154886	/nfs/dbraw/zinc/15/48/86/553154886.db2.gz	HNLHOESJYHFQSM-UHFFFAOYSA-N	1	0	363.437	1.853	20	30		FDEDRO
COc1cc(NC(=O)NCCCC[NH+]2CCN(C)CC2)c(F)cc1C#N	ZINC000599816903	553154924	/nfs/dbraw/zinc/15/49/24/553154924.db2.gz	KTNGUTGBRKCSJC-UHFFFAOYSA-N	1	0	363.437	1.855	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1F	ZINC000599899266	553170973	/nfs/dbraw/zinc/17/09/73/553170973.db2.gz	LAJAMIQEOUSGFA-CMPLNLGQSA-N	1	0	372.322	1.622	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1	ZINC000599903410	553171544	/nfs/dbraw/zinc/17/15/44/553171544.db2.gz	DDXCITPAIMAYPO-KRWDZBQOSA-N	1	0	370.453	1.422	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)C(=O)Nc1cc(OC)c(C#N)cc1F	ZINC000599930313	553175494	/nfs/dbraw/zinc/17/54/94/553175494.db2.gz	IFGFPNOFHMJQSQ-UHFFFAOYSA-N	1	0	350.394	1.493	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C	ZINC000599988765	553194660	/nfs/dbraw/zinc/19/46/60/553194660.db2.gz	LRDWLSGKOUYIPW-VQFNDLOPSA-N	1	0	352.442	1.169	20	30		FDEDRO
C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)C[C@H]21	ZINC000599991505	553195566	/nfs/dbraw/zinc/19/55/66/553195566.db2.gz	IOFKFJOAODQVEY-MNZLEMJZSA-N	1	0	356.445	1.932	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c(F)cc1C#N	ZINC000599992476	553195627	/nfs/dbraw/zinc/19/56/27/553195627.db2.gz	NWWWGOKTGIUMKT-LBPRGKRZSA-N	1	0	362.405	1.633	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)ncc1C#N	ZINC000600013077	553200361	/nfs/dbraw/zinc/20/03/61/553200361.db2.gz	WOHJBVGGQZRKRW-MRXNPFEDSA-N	1	0	355.442	1.723	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)ccc1C#N	ZINC000600013365	553200664	/nfs/dbraw/zinc/20/06/64/553200664.db2.gz	YKADHPYARDZXOX-MRXNPFEDSA-N	1	0	355.442	1.723	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1	ZINC000600060539	553210474	/nfs/dbraw/zinc/21/04/74/553210474.db2.gz	AKOGXFURUNZCPG-OAHLLOKOSA-N	1	0	356.426	1.638	20	30		FDEDRO
COC(=O)[C@]1(OC)CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1	ZINC000600191066	553228978	/nfs/dbraw/zinc/22/89/78/553228978.db2.gz	IIOJGGTVDPIHJX-IBGZPJMESA-N	1	0	369.425	1.623	20	30		FDEDRO
N#CCn1c(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cc2ccccc21	ZINC000600234934	553234335	/nfs/dbraw/zinc/23/43/35/553234335.db2.gz	ZEOYGLODHTZNTP-INIZCTEOSA-N	1	0	353.426	1.234	20	30		FDEDRO
N#Cc1ccccc1COc1ccc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)cc1	ZINC000600532830	553281608	/nfs/dbraw/zinc/28/16/08/553281608.db2.gz	OKLHPYJHRYGADF-LJQANCHMSA-N	1	0	365.433	1.934	20	30		FDEDRO
CCNC(=O)c1cccc(C[NH2+]C[C@H](O)COc2ccccc2C#N)c1	ZINC000600717285	553306551	/nfs/dbraw/zinc/30/65/51/553306551.db2.gz	PYTFGSWMNURHGZ-SFHVURJKSA-N	1	0	353.422	1.837	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]CCNC(=O)c2ccc(Cl)cc2)CCOCC1	ZINC000600720306	553306570	/nfs/dbraw/zinc/30/65/70/553306570.db2.gz	YEQLGOADZNQQLO-MRXNPFEDSA-N	1	0	365.861	1.731	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]CCNC(=O)c1ccccc1Cl	ZINC000600717345	553306815	/nfs/dbraw/zinc/30/68/15/553306815.db2.gz	KHKAPEOQQPFMID-OAHLLOKOSA-N	1	0	373.840	1.971	20	30		FDEDRO
C[C@@H]1CN(C(C)(C)C[NH2+]C[C@@H](O)COc2ccccc2C#N)C[C@@H](C)O1	ZINC000600720475	553306994	/nfs/dbraw/zinc/30/69/94/553306994.db2.gz	ZFPRLJVXHCAMMV-JFIYKMOQSA-N	1	0	361.486	1.775	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]CCNC(=O)c2cccc(Br)c2)CC1	ZINC000600723959	553307504	/nfs/dbraw/zinc/30/75/04/553307504.db2.gz	QWTBMNMBFCOUQO-AWEZNQCLSA-N	1	0	366.259	1.823	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]CCCc1nnc2n1CCCCC2	ZINC000600723333	553307639	/nfs/dbraw/zinc/30/76/39/553307639.db2.gz	CBMRHYAXLYGICU-QGZVFWFLSA-N	1	0	369.469	1.838	20	30		FDEDRO
CCc1cc(N2CCC[C@H]([NH2+]C[C@@H](O)CC3(C#N)CCOCC3)C2)ncn1	ZINC000600727685	553308134	/nfs/dbraw/zinc/30/81/34/553308134.db2.gz	QDEWROQTTWIQRE-ROUUACIJSA-N	1	0	373.501	1.669	20	30		FDEDRO
COC[C@@]1(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)OCCc2ccccc21	ZINC000600741830	553310012	/nfs/dbraw/zinc/31/00/12/553310012.db2.gz	QNNYTXITYIWVTM-WIYYLYMNSA-N	1	0	374.481	1.762	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]C[C@H](O)COc2ccc(F)cc2)CCOCC1	ZINC000600745522	553310314	/nfs/dbraw/zinc/31/03/14/553310314.db2.gz	RJPBVATXWHCLGW-HOTGVXAUSA-N	1	0	352.406	1.226	20	30		FDEDRO
CNC(=O)CC1(C[NH2+]C[C@H](O)COc2ccccc2C#N)CCCCC1	ZINC000600747577	553310711	/nfs/dbraw/zinc/31/07/11/553310711.db2.gz	YUGIZDWSLYMEPP-KRWDZBQOSA-N	1	0	359.470	1.974	20	30		FDEDRO
CN1C(=O)c2ccccc2[C@@H]1C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1	ZINC000600756771	553312028	/nfs/dbraw/zinc/31/20/28/553312028.db2.gz	PJIDOKFOJBAJDH-JXFKEZNVSA-N	1	0	365.433	1.909	20	30		FDEDRO
N#Cc1ccccc1N1CCC[N@@H+](C[C@@H](O)CC2(O)CCOCC2)CC1	ZINC000600846586	553321586	/nfs/dbraw/zinc/32/15/86/553321586.db2.gz	QCQMXIPUZVFQEV-SFHVURJKSA-N	1	0	359.470	1.363	20	30		FDEDRO
CCC1([NH+](C)C)CCN([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1	ZINC000600888217	553324966	/nfs/dbraw/zinc/32/49/66/553324966.db2.gz	VWOOEOBXQLDZTF-QGZVFWFLSA-N	1	0	354.454	1.996	20	30		FDEDRO
C[NH+](C)CCn1cc(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cn1	ZINC000601034019	553341943	/nfs/dbraw/zinc/34/19/43/553341943.db2.gz	WJAIIURSWIQWOT-UHFFFAOYSA-N	1	0	367.457	1.110	20	30		FDEDRO
N#CCN1CCC([NH2+]Cc2ccc(OCCN3CCOCC3)cc2)CC1	ZINC000601106673	553348006	/nfs/dbraw/zinc/34/80/06/553348006.db2.gz	URNHDUUTCNZTSU-UHFFFAOYSA-N	1	0	358.486	1.475	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2ccccc2CC#N)CC1	ZINC000601339239	553379402	/nfs/dbraw/zinc/37/94/02/553379402.db2.gz	ATBAFCGXLDCUCU-UHFFFAOYSA-N	1	0	365.499	1.920	20	30		FDEDRO
N#CCc1ccccc1S(=O)(=O)NC1CCC(N2CC[NH2+]CC2)CC1	ZINC000601342396	553379958	/nfs/dbraw/zinc/37/99/58/553379958.db2.gz	WREBHMLJMLMBQK-UHFFFAOYSA-N	1	0	362.499	1.247	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2ccccc2CC#N)CC1	ZINC000601398375	553394028	/nfs/dbraw/zinc/39/40/28/553394028.db2.gz	DPCNEAAKGYSVCF-HNNXBMFYSA-N	1	0	350.488	1.057	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNS(=O)(=O)N(C)CCC#N	ZINC000601482388	553417266	/nfs/dbraw/zinc/41/72/66/553417266.db2.gz	UISGOQFCJQGKEC-WBVHZDCISA-N	1	0	350.488	1.434	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1	ZINC000601524210	553428406	/nfs/dbraw/zinc/42/84/06/553428406.db2.gz	YQVVYHNEEASSRP-WMZOPIPTSA-N	1	0	364.515	1.885	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCCn1cnc(C#N)n1	ZINC000601600367	553443337	/nfs/dbraw/zinc/44/33/37/553443337.db2.gz	CDZBECKWQLTUDE-WBVHZDCISA-N	1	0	367.457	1.217	20	30		FDEDRO
C[NH+](C)CCn1cc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)cn1	ZINC000601672915	553456474	/nfs/dbraw/zinc/45/64/74/553456474.db2.gz	OEDPBOUCBHLMIZ-UHFFFAOYSA-N	1	0	367.453	1.752	20	30		FDEDRO
C=C(C)C[C@H](NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)C(=O)OC	ZINC000601781812	553474588	/nfs/dbraw/zinc/47/45/88/553474588.db2.gz	MDMVQPBAQZJNNT-SFHVURJKSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C(C)C[C@@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)C(=O)OC	ZINC000601782034	553474898	/nfs/dbraw/zinc/47/48/98/553474898.db2.gz	NCJMAMSEPAIEOM-GOSISDBHSA-N	1	0	359.470	1.672	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]CCn1ccc(C(F)(F)F)n1	ZINC000601975038	553497899	/nfs/dbraw/zinc/49/78/99/553497899.db2.gz	YVUTXXNPNVSJOB-CYBMUJFWSA-N	1	0	354.332	1.803	20	30		FDEDRO
N#Cc1cc(F)cc(NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1	ZINC000602027566	553503679	/nfs/dbraw/zinc/50/36/79/553503679.db2.gz	RKGZMKGVQQFCBE-ZDUSSCGKSA-N	1	0	374.416	1.253	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)Nc1cc(F)cc(C#N)c1	ZINC000602031793	553504690	/nfs/dbraw/zinc/50/46/90/553504690.db2.gz	YMGKWAFEBCKEGQ-UHFFFAOYSA-N	1	0	358.373	1.819	20	30		FDEDRO
CC[NH+](CC)CCOCCNC(=O)C(=O)Nc1cc(F)cc(C#N)c1	ZINC000602034726	553505422	/nfs/dbraw/zinc/50/54/22/553505422.db2.gz	JWQAVXATMPSAJN-UHFFFAOYSA-N	1	0	350.394	1.110	20	30		FDEDRO
Cc1ccc(-n2nc(CCCNC(=O)[C@@H](C)[NH+](C)C)c(C#N)c2N)cc1	ZINC000602068737	553512585	/nfs/dbraw/zinc/51/25/85/553512585.db2.gz	ZFBQQOIJBZHQLJ-CQSZACIVSA-N	1	0	354.458	1.634	20	30		FDEDRO
CN(C(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@@H]1CCC[C@@H]1C#N	ZINC000602073368	553513645	/nfs/dbraw/zinc/51/36/45/553513645.db2.gz	FYPJEHFOKJBSKT-RHSMWYFYSA-N	1	0	358.442	1.716	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)C1	ZINC000602088301	553516976	/nfs/dbraw/zinc/51/69/76/553516976.db2.gz	KVMHKCXEQIPHKJ-ZBFHGGJFSA-N	1	0	358.467	1.740	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)CCO1	ZINC000602099733	553519172	/nfs/dbraw/zinc/51/91/72/553519172.db2.gz	YJPRPAPLYSKKKX-GGPKGHCWSA-N	1	0	355.438	1.276	20	30		FDEDRO
C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1(C)C	ZINC000602169702	553533105	/nfs/dbraw/zinc/53/31/05/553533105.db2.gz	GTYSKZCLKYKJCT-HZPDHXFCSA-N	1	0	352.442	1.785	20	30		FDEDRO
Cc1cccc(N2CC[NH+](CCC(=O)N3CCN(CCC#N)CC3)CC2)c1	ZINC000602208883	553540506	/nfs/dbraw/zinc/54/05/06/553540506.db2.gz	UVMSGVMVWXZEDR-UHFFFAOYSA-N	1	0	369.513	1.565	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@@](C)(C(=O)OCC)C2)CC1	ZINC000602249130	553548436	/nfs/dbraw/zinc/54/84/36/553548436.db2.gz	ZERVQTSYBYBSAV-GOSISDBHSA-N	1	0	353.463	1.391	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CC[C@@](O)(CC#N)C1	ZINC000602389719	553574566	/nfs/dbraw/zinc/57/45/66/553574566.db2.gz	RHLHINXKRIUJGD-POAQFYNOSA-N	1	0	356.470	1.815	20	30		FDEDRO
C[C@H](CCC#N)C[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000602502002	553594777	/nfs/dbraw/zinc/59/47/77/553594777.db2.gz	JEOGGMWKJFMMMN-OAHLLOKOSA-N	1	0	351.472	1.737	20	30		FDEDRO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCNS(=O)(=O)c1cccs1	ZINC000602574699	553607117	/nfs/dbraw/zinc/60/71/17/553607117.db2.gz	LOSROUFYDTZWDZ-ZDUSSCGKSA-N	1	0	357.501	1.715	20	30		FDEDRO
CCOC1CC(C[NH2+][C@H](C)CC2(C#N)CCOCC2)(N2CCOCC2)C1	ZINC000602635766	553615583	/nfs/dbraw/zinc/61/55/83/553615583.db2.gz	BRHYXYGUQRBJTC-PGYGNJIDSA-N	1	0	365.518	1.945	20	30		FDEDRO
CC(C)[C@H]([NH2+]Cc1cccc(C#N)n1)C(=O)N(C)Cc1nnc2n1CCC2	ZINC000602651095	553617896	/nfs/dbraw/zinc/61/78/96/553617896.db2.gz	VFUAXAPMYZKAEF-SFHVURJKSA-N	1	0	367.457	1.264	20	30		FDEDRO
COC[C@@]1(C(=O)OC(C)(C)C)CC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1	ZINC000602730384	553628185	/nfs/dbraw/zinc/62/81/85/553628185.db2.gz	BTCSMBBQOQOMIR-LJQANCHMSA-N	1	0	371.441	1.781	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1	ZINC000602727031	553628274	/nfs/dbraw/zinc/62/82/74/553628274.db2.gz	YSRIJTXKHUXROW-MJGOQNOKSA-N	1	0	358.486	1.971	20	30		FDEDRO
C[NH+](C)C[C@H]1COC2(CCCC2)CN1CC(=O)NCc1cccc(C#N)c1	ZINC000602910652	553666878	/nfs/dbraw/zinc/66/68/78/553666878.db2.gz	BZXMUMNQKGCENX-IBGZPJMESA-N	1	0	370.497	1.750	20	30		FDEDRO
C[NH+](C)C[C@H]1COC2(CCCC2)CN1CC(=O)NC1(C#N)CCCCC1	ZINC000602911783	553667747	/nfs/dbraw/zinc/66/77/47/553667747.db2.gz	GHCLRUWBDSKWLJ-KRWDZBQOSA-N	1	0	362.518	1.904	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(CCO)(CCO)CC3)C2=O)cc1	ZINC000602966634	553682563	/nfs/dbraw/zinc/68/25/63/553682563.db2.gz	MHUJGHHQKCYVMP-IBGZPJMESA-N	1	0	371.481	1.901	20	30		FDEDRO
N#Cc1cccc(NC(=O)CC[NH+]2CCN(CCc3cnccn3)CC2)c1	ZINC000602998655	553688641	/nfs/dbraw/zinc/68/86/41/553688641.db2.gz	GCLLSERWGGVYSA-UHFFFAOYSA-N	1	0	364.453	1.537	20	30		FDEDRO
N#Cc1ccc(OCc2ccc(C(=O)N[C@H](CO)C[NH+]3CCCC3)o2)cc1	ZINC000603052611	553701981	/nfs/dbraw/zinc/70/19/81/553701981.db2.gz	JTSQMUNJFKDKAN-INIZCTEOSA-N	1	0	369.421	1.917	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N2CCCN(c3cc[nH+]cc3)CC2)cc1	ZINC000603083912	553706947	/nfs/dbraw/zinc/70/69/47/553706947.db2.gz	OQMDCRPNFANSRB-UHFFFAOYSA-N	1	0	363.421	1.422	20	30		FDEDRO
Cc1cc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)ncc1C#N	ZINC000603118948	553712360	/nfs/dbraw/zinc/71/23/60/553712360.db2.gz	IWSDTMHWDLOZEG-UHFFFAOYSA-N	1	0	365.441	1.730	20	30		FDEDRO
C[NH+]1CCN(Cc2cn(CC(=O)Nc3cc(Cl)ccc3C#N)nn2)CC1	ZINC000603164544	553718905	/nfs/dbraw/zinc/71/89/05/553718905.db2.gz	TYPHMEZIVGPICK-UHFFFAOYSA-N	1	0	373.848	1.189	20	30		FDEDRO
N#CCSc1ccccc1NC(=O)Cn1cc([C@@H]2CCC[NH2+]C2)nn1	ZINC000603178189	553723234	/nfs/dbraw/zinc/72/32/34/553723234.db2.gz	RLDSPQJZINWXLR-CYBMUJFWSA-N	1	0	356.455	1.999	20	30		FDEDRO
COCC[NH2+]Cc1ccn(Cc2cn([C@H](C)c3cccc(C#N)c3)nn2)n1	ZINC000603231898	553737515	/nfs/dbraw/zinc/73/75/15/553737515.db2.gz	DGGMXUVYRSMMCJ-OAHLLOKOSA-N	1	0	365.441	1.740	20	30		FDEDRO
COCCOCc1cc(C#N)ccc1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000603287965	553755354	/nfs/dbraw/zinc/75/53/54/553755354.db2.gz	FPSVPDDRSGTDBB-UXHICEINSA-N	1	0	359.470	1.757	20	30		FDEDRO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1cc(C#N)c(Br)cn1	ZINC000603398705	553779925	/nfs/dbraw/zinc/77/99/25/553779925.db2.gz	ONPFNGGHIGUFRX-JTQLQIEISA-N	1	0	352.236	1.272	20	30		FDEDRO
Cc1cc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)c(C#N)cc1[N+](=O)[O-]	ZINC000603424477	553785326	/nfs/dbraw/zinc/78/53/26/553785326.db2.gz	XUGPHZYQOZCTJQ-QGZVFWFLSA-N	1	0	373.457	1.983	20	30		FDEDRO
N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCN(CCN3CCOCC3)C1)CC2	ZINC000603429604	553786654	/nfs/dbraw/zinc/78/66/54/553786654.db2.gz	ZMEDIOBBBZMMGN-CTNGQTDRSA-N	1	0	354.498	1.932	20	30		FDEDRO
N#Cc1ccsc1NC(=O)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1	ZINC000603832909	553819780	/nfs/dbraw/zinc/81/97/80/553819780.db2.gz	BZCOUEZVEVFPJK-CQSZACIVSA-N	1	0	362.455	1.272	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)CN2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1	ZINC000603848382	553821058	/nfs/dbraw/zinc/82/10/58/553821058.db2.gz	PGJDQCKAHKJVIK-UYAOXDASSA-N	1	0	359.470	1.485	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000603884936	553824245	/nfs/dbraw/zinc/82/42/45/553824245.db2.gz	DHOCEMSTGZKLOQ-UHFFFAOYSA-N	1	0	369.252	1.827	20	30		FDEDRO
C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	ZINC000604130022	553844807	/nfs/dbraw/zinc/84/48/07/553844807.db2.gz	HGPUEZZLJGGYMI-UHFFFAOYSA-N	1	0	367.409	1.752	20	30		FDEDRO
C[NH+]1CCN(CCCNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC1	ZINC000609161085	554345164	/nfs/dbraw/zinc/34/51/64/554345164.db2.gz	VRIWZFOKWDQHBD-IBGZPJMESA-N	1	0	355.486	1.281	20	30		FDEDRO
C[C@H]1COCCN1CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000609213494	554350046	/nfs/dbraw/zinc/35/00/46/554350046.db2.gz	PURSLHWARNYEOD-KRWDZBQOSA-N	1	0	373.501	1.352	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cc(C#N)ccc2OC)CC1=O	ZINC000609213768	554350500	/nfs/dbraw/zinc/35/05/00/554350500.db2.gz	ICMHCHXASPQGEE-HOTGVXAUSA-N	1	0	370.453	1.838	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H](NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C1	ZINC000609268791	554353843	/nfs/dbraw/zinc/35/38/43/554353843.db2.gz	BRVTUISIFWKACW-HNNXBMFYSA-N	1	0	360.458	1.435	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C1	ZINC000609269422	554354139	/nfs/dbraw/zinc/35/41/39/554354139.db2.gz	QDSLRAZAHQYOOG-HKUYNNGSSA-N	1	0	356.470	1.754	20	30		FDEDRO
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1C[N@H+](C)CCN1C	ZINC000609550514	554391724	/nfs/dbraw/zinc/39/17/24/554391724.db2.gz	CVHUUHALBWCTAK-IBGZPJMESA-N	1	0	357.502	1.972	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H]1CCCN1c1cccnn1)C(=O)Nc1cccc(C#N)c1	ZINC000609574808	554395982	/nfs/dbraw/zinc/39/59/82/554395982.db2.gz	ZPIAVWQEFMFSST-YOEHRIQHSA-N	1	0	350.426	1.934	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC1	ZINC000609582959	554397023	/nfs/dbraw/zinc/39/70/23/554397023.db2.gz	FNOGFODMYHIYGQ-PXNSSMCTSA-N	1	0	369.513	1.669	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@](C)(CO)c1cccc(C(F)(F)F)c1	ZINC000609799948	554422809	/nfs/dbraw/zinc/42/28/09/554422809.db2.gz	UWKRXXJLWACINI-OAHLLOKOSA-N	1	0	359.348	1.514	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cc1	ZINC000609926685	554438384	/nfs/dbraw/zinc/43/83/84/554438384.db2.gz	RWUCDIUVMAKKCI-KBMXLJTQSA-N	1	0	358.360	1.880	20	30		FDEDRO
C[C@@H]([NH2+][C@@H](C)C(=O)N1CCN(c2ncccn2)CC1)c1cccc(C#N)c1	ZINC000610346221	554493939	/nfs/dbraw/zinc/49/39/39/554493939.db2.gz	PBIAJSCGQTZQNL-CVEARBPZSA-N	1	0	364.453	1.736	20	30		FDEDRO
CCN1CCO[C@@H](C(=O)N[C@@H](C#N)c2ccccc2Br)C1	ZINC000610428945	554504858	/nfs/dbraw/zinc/50/48/58/554504858.db2.gz	ABKCDAHKUXJBFL-UONOGXRCSA-N	1	0	352.232	1.851	20	30		FDEDRO
CCC[N@H+](CC)CCNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000610465213	554512962	/nfs/dbraw/zinc/51/29/62/554512962.db2.gz	XNOOSNXBMHDNKF-UHFFFAOYSA-N	1	0	374.489	1.987	20	30		FDEDRO
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1	ZINC000610582150	554533895	/nfs/dbraw/zinc/53/38/95/554533895.db2.gz	BNLCJCMFOFURPE-RBUKOAKNSA-N	1	0	357.454	1.959	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H](N2CCC[N@H+](C[C@@H]3CCCO3)CC2)C1=O	ZINC000610582162	554534200	/nfs/dbraw/zinc/53/42/00/554534200.db2.gz	DGHCUCHJFVMEFJ-IRXDYDNUSA-N	1	0	374.510	1.912	20	30		FDEDRO
C[C@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1cccc(C#N)c1	ZINC000610870020	554573170	/nfs/dbraw/zinc/57/31/70/554573170.db2.gz	XTYKALDZTZPOHX-ZDUSSCGKSA-N	1	0	354.414	1.132	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)n(CCC#N)n1	ZINC000610951607	554586868	/nfs/dbraw/zinc/58/68/68/554586868.db2.gz	NPTALRLGYBDHTH-HNNXBMFYSA-N	1	0	358.446	1.131	20	30		FDEDRO
C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)C1	ZINC000611055568	554600233	/nfs/dbraw/zinc/60/02/33/554600233.db2.gz	QXFCWVZEQAKAOR-AWEZNQCLSA-N	1	0	369.450	1.831	20	30		FDEDRO
CC(C)N1CC[NH+](C2CCN(C(=O)CNc3ccc(C#N)cc3)CC2)CC1	ZINC000611177025	554612810	/nfs/dbraw/zinc/61/28/10/554612810.db2.gz	ZJTDOCAZPIPNNV-UHFFFAOYSA-N	1	0	369.513	1.987	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@](C)(CO)c2ccccc2)CC1	ZINC000611371749	554629201	/nfs/dbraw/zinc/62/92/01/554629201.db2.gz	YMEFNRJVVIJGTH-UYAOXDASSA-N	1	0	358.486	1.176	20	30		FDEDRO
Cc1cc(=NC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)[nH]n1CCC#N	ZINC000611481830	554636891	/nfs/dbraw/zinc/63/68/91/554636891.db2.gz	ACDXBWOIQVTJRO-DOTOQJQBSA-N	1	0	373.505	1.595	20	30		FDEDRO
COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCC(CC#N)CC1	ZINC000611650268	554660143	/nfs/dbraw/zinc/66/01/43/554660143.db2.gz	VUEGOWVVRZICNO-UHFFFAOYSA-N	1	0	358.442	1.848	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1	ZINC000612040616	554724461	/nfs/dbraw/zinc/72/44/61/554724461.db2.gz	MFWWQPIOFDRIBL-UYTYNIKBSA-N	1	0	365.518	1.851	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1	ZINC000613312273	554912183	/nfs/dbraw/zinc/91/21/83/554912183.db2.gz	YCSVHVHJVCYPAY-UHFFFAOYSA-N	1	0	370.409	1.689	20	30		FDEDRO
COc1ccc([C@@H](CNC(=O)N2CC[C@](F)(C#N)C2)[NH+](C)C)cc1OC	ZINC000615578122	555215898	/nfs/dbraw/zinc/21/58/98/555215898.db2.gz	VYMJYFQQDGAHCE-KDOFPFPSSA-N	1	0	364.421	1.954	20	30		FDEDRO
N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1	ZINC000615632992	555223011	/nfs/dbraw/zinc/22/30/11/555223011.db2.gz	QFXXWSREZSANCP-IBGZPJMESA-N	1	0	358.417	1.728	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC[N@H+](C)C2)cc1	ZINC000617928482	555541375	/nfs/dbraw/zinc/54/13/75/555541375.db2.gz	GXWSCYCPEQOMNP-OAHLLOKOSA-N	1	0	366.487	1.709	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000618816297	555680904	/nfs/dbraw/zinc/68/09/04/555680904.db2.gz	MRYLQBFGNPYHJC-AEFFLSMTSA-N	1	0	369.469	1.432	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000618848048	555688460	/nfs/dbraw/zinc/68/84/60/555688460.db2.gz	HNRGZPARWZZMQC-OTWHNJEPSA-N	1	0	354.454	1.786	20	30		FDEDRO
C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)N3CC[C@@](F)(C#N)C3)cccc21	ZINC000619078599	555722177	/nfs/dbraw/zinc/72/21/77/555722177.db2.gz	URFHKNPJZSKDLN-KBXCAEBGSA-N	1	0	360.389	1.474	20	30		FDEDRO
CC(C)[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)C(=O)N(C)Cc1nnc2n1CCC2	ZINC000619431970	555775737	/nfs/dbraw/zinc/77/57/37/555775737.db2.gz	HXKXDOWBPZYSQB-RKVPGOIHSA-N	1	0	358.490	1.879	20	30		FDEDRO
CC[NH+]1CCN(c2cccc(NC(=O)[C@H](C)n3cnc(C#N)n3)c2)CC1	ZINC000619599455	555806486	/nfs/dbraw/zinc/80/64/86/555806486.db2.gz	ZPVXTNYWNZMUIS-AWEZNQCLSA-N	1	0	353.430	1.491	20	30		FDEDRO
Cc1c([C@H]2[C@H]([NH2+]CCCC3(C#N)CCOCC3)CC(=O)N2C)cnn1C	ZINC000619621522	555810777	/nfs/dbraw/zinc/81/07/77/555810777.db2.gz	KSTPYXOQYBMSRC-AEFFLSMTSA-N	1	0	359.474	1.691	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C	ZINC000624463072	556592581	/nfs/dbraw/zinc/59/25/81/556592581.db2.gz	QQZRGYNABWZJPX-MQVJKMGUSA-N	1	0	350.507	1.972	20	30		FDEDRO
C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CC[NH+](C2CCOCC2)CC1	ZINC000624992283	556686840	/nfs/dbraw/zinc/68/68/40/556686840.db2.gz	RDJNXBYIUPLXKF-UHFFFAOYSA-N	1	0	357.462	1.545	20	30		FDEDRO
C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C	ZINC000624991894	556686886	/nfs/dbraw/zinc/68/68/86/556686886.db2.gz	SWQMCEKVBOYVMQ-HNNXBMFYSA-N	1	0	371.489	1.934	20	30		FDEDRO
COC[C@H]([NH2+]CC#CCN1C(=O)c2ccccc2C1=O)C1CCOCC1	ZINC000625530490	556842679	/nfs/dbraw/zinc/84/26/79/556842679.db2.gz	BNOTYGAHRIHOHB-SFHVURJKSA-N	1	0	356.422	1.317	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000627434752	557400532	/nfs/dbraw/zinc/40/05/32/557400532.db2.gz	RGABBYFVRTVPMC-JYJNAYRXSA-N	1	0	351.491	1.450	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1	ZINC000627434753	557400685	/nfs/dbraw/zinc/40/06/85/557400685.db2.gz	RGABBYFVRTVPMC-XHSDSOJGSA-N	1	0	351.491	1.450	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCS(=O)(=O)[C@@H]2C)c(OC)c1	ZINC000629605091	557816622	/nfs/dbraw/zinc/81/66/22/557816622.db2.gz	ZGAXTZUAVHPLKS-FVQBIDKESA-N	1	0	369.483	1.329	20	30		FDEDRO
C=CCN1CCC(NS(=O)(=O)c2c(C(F)(F)F)cnn2C)CC1	ZINC000631909190	558062549	/nfs/dbraw/zinc/06/25/49/558062549.db2.gz	WBKJBTWJEJBMHC-UHFFFAOYSA-N	1	0	352.382	1.368	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H]4C[NH2+]CC[C@H]43)cc2C1=O	ZINC000632857572	558225843	/nfs/dbraw/zinc/22/58/43/558225843.db2.gz	VBFGESKNXJKDTB-WMLDXEAASA-N	1	0	353.422	1.683	20	30		FDEDRO
CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000482182170	568302543	/nfs/dbraw/zinc/30/25/43/568302543.db2.gz	PPKXBNLDBKOHTE-UONOGXRCSA-N	1	0	366.487	1.072	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccccc2-c2nn[nH]n2)CC1	ZINC000735375884	598930462	/nfs/dbraw/zinc/93/04/62/598930462.db2.gz	SZDCYNYPFMPOPM-AWEZNQCLSA-N	1	0	368.441	1.238	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)NCC2(C)CC[NH+](C)CC2)cc1	ZINC000272533022	674454983	/nfs/dbraw/zinc/45/49/83/674454983.db2.gz	JOILMSGAICMVFJ-UHFFFAOYSA-N	1	0	363.483	1.060	20	30		FDEDRO
N#CC1(C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCC1	ZINC000737675071	599383156	/nfs/dbraw/zinc/38/31/56/599383156.db2.gz	MHRAZLBDWACALE-UHFFFAOYSA-N	1	0	365.441	1.595	20	30		FDEDRO
C=CCS(=O)(=O)CCN[C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1	ZINC000272797073	674475341	/nfs/dbraw/zinc/47/53/41/674475341.db2.gz	APVIZYARAPFFQA-LBPRGKRZSA-N	1	0	361.485	1.350	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=[NH2+])Nc1ccccc1OC(F)(F)F	ZINC000272854155	674481638	/nfs/dbraw/zinc/48/16/38/674481638.db2.gz	QQUPPQMXCIUMAP-UHFFFAOYSA-N	1	0	351.350	1.913	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1	ZINC000821584764	606018736	/nfs/dbraw/zinc/01/87/36/606018736.db2.gz	RLROCQQEYMGBCR-UHFFFAOYSA-N	1	0	360.397	1.705	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC000821585936	606316701	/nfs/dbraw/zinc/31/67/01/606316701.db2.gz	BHTUBEWCQOFHDI-UHFFFAOYSA-N	1	0	364.413	1.270	20	30		FDEDRO
C#CC[NH+](CC#C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2	ZINC000819697547	606503294	/nfs/dbraw/zinc/50/32/94/606503294.db2.gz	HVQHONKJEKRIAS-UHFFFAOYSA-N	1	0	368.466	1.704	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cc(-c3nn[nH]n3)ccc2NCC)CC1	ZINC000819701720	607100114	/nfs/dbraw/zinc/10/01/14/607100114.db2.gz	LJPGEXGZOLUHMP-UHFFFAOYSA-N	1	0	353.430	1.582	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1ccc(F)c(-c2nn[nH]n2)c1	ZINC000825938427	608036442	/nfs/dbraw/zinc/03/64/42/608036442.db2.gz	SUXHSUGOKFRYTQ-UHFFFAOYSA-N	1	0	355.381	1.247	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1c[nH]c(C#N)c1	ZINC000825865402	609203983	/nfs/dbraw/zinc/20/39/83/609203983.db2.gz	CPOYWVWNYNQZGK-UHFFFAOYSA-N	1	0	364.413	1.270	20	30		FDEDRO
CCCN(CC[NH+](CC)CC)C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000274117437	674584828	/nfs/dbraw/zinc/58/48/28/674584828.db2.gz	RULVBPICSABTIG-ZCXUNETKSA-N	1	0	350.463	1.483	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)cc1	ZINC000274506964	674592884	/nfs/dbraw/zinc/59/28/84/674592884.db2.gz	QCHZBKRUHUIPHG-INIZCTEOSA-N	1	0	365.499	1.754	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2nnc(SC)s2)CC1	ZINC000275592875	674625204	/nfs/dbraw/zinc/62/52/04/674625204.db2.gz	KBRXJZAYUQHXLR-UHFFFAOYSA-N	1	0	358.493	1.285	20	30		FDEDRO
C=CCOc1c(Br)cc(C[NH2+]C[C@H](O)CO)cc1OCC	ZINC000276764141	674764364	/nfs/dbraw/zinc/76/43/64/674764364.db2.gz	NNTXQOBMFNISHS-LBPRGKRZSA-N	1	0	360.248	1.855	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2cccnc2C#N)C[C@@H]1[NH+]1CCCC1	ZINC000277003107	674829818	/nfs/dbraw/zinc/82/98/18/674829818.db2.gz	IDLNDVGMCSXVGB-KBPBESRZSA-N	1	0	352.485	1.154	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NC[C@@H](CO)Cc1ccccc1Br	ZINC000277514521	674958614	/nfs/dbraw/zinc/95/86/14/674958614.db2.gz	WMSDQLZFJUYXHM-NEPJUHHUSA-N	1	0	358.280	1.539	20	30		FDEDRO
Cc1cc(S(=O)(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)ccc1C#N	ZINC000277700085	675007437	/nfs/dbraw/zinc/00/74/37/675007437.db2.gz	LMSBUHXLVGIFAC-HNNXBMFYSA-N	1	0	351.472	1.646	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCc2ncccc2S(C)(=O)=O)CC1	ZINC000278484527	675143827	/nfs/dbraw/zinc/14/38/27/675143827.db2.gz	SJHTUIJHXCKPIT-UHFFFAOYSA-N	1	0	366.487	1.325	20	30		FDEDRO
C#CCOc1ccc(Br)cc1C[NH2+]CCNS(C)(=O)=O	ZINC000041641621	670900801	/nfs/dbraw/zinc/90/08/01/670900801.db2.gz	IPKSPNGGGQWINR-UHFFFAOYSA-N	1	0	361.261	1.100	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2ccc(OCC(F)(F)F)nc2)CC1	ZINC000057171520	671262831	/nfs/dbraw/zinc/26/28/31/671262831.db2.gz	ZTORPSQSMARSEC-UHFFFAOYSA-N	1	0	355.360	1.984	20	30		FDEDRO
N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)sc2c1CCC2	ZINC000278774736	675194290	/nfs/dbraw/zinc/19/42/90/675194290.db2.gz	CRJBXOKCHDLMPU-GOSISDBHSA-N	1	0	358.467	1.649	20	30		FDEDRO
[NH2+]=C(NC[C@]1(O)CCSC1)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000083053601	671471071	/nfs/dbraw/zinc/47/10/71/671471071.db2.gz	IUHWKTHCLPYCRS-MRXNPFEDSA-N	1	0	354.907	1.645	20	30		FDEDRO
CC[NH+]=C(NCC1(O)CCCCC1)N1CC[C@@H](CN2CCOCC2)C1	ZINC000085171363	671480875	/nfs/dbraw/zinc/48/08/75/671480875.db2.gz	KTUWPPNWDUDBFI-KRWDZBQOSA-N	1	0	352.523	1.301	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2cccc(CSC)c2)CC1	ZINC000286866993	675909368	/nfs/dbraw/zinc/90/93/68/675909368.db2.gz	ZZPVBZABWRGPGP-UHFFFAOYSA-N	1	0	361.511	1.932	20	30		FDEDRO
CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)O[C@@H](C)C#CC[NH+](CC)CC	ZINC000121517486	671706421	/nfs/dbraw/zinc/70/64/21/671706421.db2.gz	DXTPQVKZPMGPAO-DLBZAZTESA-N	1	0	372.531	1.858	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)cc1Cl	ZINC000134112960	671826064	/nfs/dbraw/zinc/82/60/64/671826064.db2.gz	GQKXMTPLRBUEDC-MFKMUULPSA-N	1	0	374.894	1.793	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(F)cc1OCC#N	ZINC000135325662	671836212	/nfs/dbraw/zinc/83/62/12/671836212.db2.gz	UDANHKUXBALUDD-CQSZACIVSA-N	1	0	350.394	1.960	20	30		FDEDRO
C[NH+]=C(NCCNS(=O)(=O)c1cccs1)N1CCc2ccccc21	ZINC000151117554	671860216	/nfs/dbraw/zinc/86/02/16/671860216.db2.gz	KBSNDRQMLWIPFP-UHFFFAOYSA-N	1	0	364.496	1.665	20	30		FDEDRO
C[NH+]=C(NCCNS(=O)(=O)c1cc(C)sc1C)NCc1ccco1	ZINC000151401569	671864054	/nfs/dbraw/zinc/86/40/54/671864054.db2.gz	CWVPQTPCWYRPTK-UHFFFAOYSA-N	1	0	370.500	1.601	20	30		FDEDRO
C[NH+]=C(NCCNS(=O)(=O)c1cccs1)N1C[C@H](C)C[C@H](C)C1	ZINC000151636764	671869738	/nfs/dbraw/zinc/86/97/38/671869738.db2.gz	UDBGSXQYZXLUJZ-BETUJISGSA-N	1	0	358.533	1.580	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)NCCCC[N@H+]2CCC[C@@H]2CO)cc1	ZINC000288210630	675976272	/nfs/dbraw/zinc/97/62/72/675976272.db2.gz	DAQWYWDHIMCSOZ-QGZVFWFLSA-N	1	0	351.472	1.215	20	30		FDEDRO
[NH2+]=C(NCc1ccc(Br)cc1N1CCOCC1)NC1CC1	ZINC000178995605	672152939	/nfs/dbraw/zinc/15/29/39/672152939.db2.gz	SWPUNNPEIILJGT-UHFFFAOYSA-N	1	0	353.264	1.852	20	30		FDEDRO
[NH2+]=C(NCc1cccc(N2CCCS2(=O)=O)c1)N1CCCCCC1	ZINC000184875200	672250908	/nfs/dbraw/zinc/25/09/08/672250908.db2.gz	KBEPXOZKKDQADQ-UHFFFAOYSA-N	1	0	350.488	1.917	20	30		FDEDRO
CCOC(=O)N1CCC([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)CC1	ZINC000186422099	672272245	/nfs/dbraw/zinc/27/22/45/672272245.db2.gz	HZDCYRRYBARAGE-FZKQIMNGSA-N	1	0	350.463	1.641	20	30		FDEDRO
CC(C)(C#N)CCC[NH+]1CCN(c2ccccc2S(N)(=O)=O)CC1	ZINC000190315441	672323675	/nfs/dbraw/zinc/32/36/75/672323675.db2.gz	QUIBZFKNVBKPLN-UHFFFAOYSA-N	1	0	350.488	1.786	20	30		FDEDRO
C=C(Br)CNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1	ZINC000192161438	672351269	/nfs/dbraw/zinc/35/12/69/672351269.db2.gz	MYUJRXOVGJUMBB-UHFFFAOYSA-N	1	0	359.312	1.564	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NC2(C)CC[NH2+]CC2)ccc1F	ZINC000193360295	672367481	/nfs/dbraw/zinc/36/74/81/672367481.db2.gz	ZCPMKIUDFJMFSL-UHFFFAOYSA-N	1	0	355.435	1.162	20	30		FDEDRO
CCc1nsc(N2CCN(C(NCCC(F)(F)F)=[NH+]C)CC2)n1	ZINC000261736008	672661524	/nfs/dbraw/zinc/66/15/24/672661524.db2.gz	JZUSEGKODXPCNR-UHFFFAOYSA-N	1	0	350.414	1.750	20	30		FDEDRO
CC[NH+]=C(NCc1cnn(C)c1)N[C@@H]1CCN(c2ncccc2Cl)C1	ZINC000261759007	672666302	/nfs/dbraw/zinc/66/63/02/672666302.db2.gz	MTCUYQPXZOOGQQ-CQSZACIVSA-N	1	0	361.881	1.803	20	30		FDEDRO
CC[NH+]=C(NC[C@H](O)c1cccc(C)c1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261941672	672698351	/nfs/dbraw/zinc/69/83/51/672698351.db2.gz	DQIFMUOCMCICSW-INIZCTEOSA-N	1	0	367.515	1.503	20	30		FDEDRO
CNS(=O)(=O)c1cccc(CNC(NC[C@@H]2CCCS2)=[NH+]C)c1	ZINC000261941508	672698359	/nfs/dbraw/zinc/69/83/59/672698359.db2.gz	DNQSFJUHRATQDW-ZDUSSCGKSA-N	1	0	356.517	1.155	20	30		FDEDRO
CC[NH+]=C(NCC1(O)CCCC1)N1CCN([C@H](C)C(F)(F)F)CC1	ZINC000261957166	672701894	/nfs/dbraw/zinc/70/18/94/672701894.db2.gz	ZTXFAVKQJRFIJA-CYBMUJFWSA-N	1	0	350.429	1.825	20	30		FDEDRO
C[C@@H]1CCCN(C(=[NH2+])NCCNS(=O)(=O)c2cccc(Cl)c2)C1	ZINC000261977510	672705615	/nfs/dbraw/zinc/70/56/15/672705615.db2.gz	GOODPDDWFZYWQD-GFCCVEGCSA-N	1	0	358.895	1.665	20	30		FDEDRO
C[C@H]1CCCN(C(=[NH2+])NCCNS(=O)(=O)c2cccc(Cl)c2)C1	ZINC000261977513	672705729	/nfs/dbraw/zinc/70/57/29/672705729.db2.gz	GOODPDDWFZYWQD-LBPRGKRZSA-N	1	0	358.895	1.665	20	30		FDEDRO
C[NH+]=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)NC[C@@H]1COCCO1	ZINC000262002214	672709759	/nfs/dbraw/zinc/70/97/59/672709759.db2.gz	UDSKAOAUOJGJOB-KGLIPLIRSA-N	1	0	362.257	1.607	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1C(F)(F)F	ZINC000262020987	672713196	/nfs/dbraw/zinc/71/31/96/672713196.db2.gz	IQUCHKIJCQGZAC-WFBYXXMGSA-N	1	0	359.373	1.935	20	30		FDEDRO
CC(C)NS(=O)(=O)c1cccc(CNC(=[NH2+])N2CCSCC2)c1	ZINC000262025870	672713960	/nfs/dbraw/zinc/71/39/60/672713960.db2.gz	ZHXCQLZMSKIGEL-UHFFFAOYSA-N	1	0	356.517	1.237	20	30		FDEDRO
C[NH+]=C(NCC(=O)N(C)C)NCc1nc(-c2cccc(Cl)c2)no1	ZINC000262294016	672763484	/nfs/dbraw/zinc/76/34/84/672763484.db2.gz	LYKQLDMNNJCMQY-UHFFFAOYSA-N	1	0	350.810	1.143	20	30		FDEDRO
C[NH+]=C(NCc1cc(Br)cs1)NC[C@@H](O)c1cnn(C)c1	ZINC000262310335	672766946	/nfs/dbraw/zinc/76/69/46/672766946.db2.gz	BILNNXYOKXQYEZ-GFCCVEGCSA-N	1	0	372.292	1.643	20	30		FDEDRO
C[NH+]=C(NCC(=O)N(C)C)N1CCc2c(Br)ccc(F)c2C1	ZINC000262324614	672769937	/nfs/dbraw/zinc/76/99/37/672769937.db2.gz	SUQCFUJUXQTLCH-UHFFFAOYSA-N	1	0	371.254	1.610	20	30		FDEDRO
C[NH+]=C(NC[C@@]1(O)CCSC1)N[C@@H]1CCN(c2cccc(OC)c2)C1	ZINC000262352863	672775256	/nfs/dbraw/zinc/77/52/56/672775256.db2.gz	FKXYMSHWMUHTCM-KDOFPFPSSA-N	1	0	364.515	1.307	20	30		FDEDRO
CC[C@H](C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](O)C(C)(C)C1	ZINC000262356208	672775953	/nfs/dbraw/zinc/77/59/53/672775953.db2.gz	FXQWRTMARCZXJK-SOUVJXGZSA-N	1	0	359.536	1.258	20	30		FDEDRO
CCc1cnc(CNC(=[NH+]C)N2CCN(Cc3cc(C)on3)CC2)s1	ZINC000262401215	672783380	/nfs/dbraw/zinc/78/33/80/672783380.db2.gz	NSSZWYPAKARSAB-UHFFFAOYSA-N	1	0	362.503	1.895	20	30		FDEDRO
C[C@H](O)[C@@H]1CCN(C(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)C1	ZINC000262408170	672784734	/nfs/dbraw/zinc/78/47/34/672784734.db2.gz	OWFBRBJJRGDBLQ-RRFJBIMHSA-N	1	0	357.520	1.012	20	30		FDEDRO
CN(Cc1cccn1C)C(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CCCC1	ZINC000262409685	672784779	/nfs/dbraw/zinc/78/47/79/672784779.db2.gz	PBELZUPFOUBORY-HNNXBMFYSA-N	1	0	366.531	1.780	20	30		FDEDRO
CC(C)C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCOC2(CCC2)C1	ZINC000262417904	672786155	/nfs/dbraw/zinc/78/61/55/672786155.db2.gz	QMNRSGIUHBIEMA-HOTGVXAUSA-N	1	0	371.547	1.714	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@]2(CCCOC2)C1	ZINC000262424584	672787271	/nfs/dbraw/zinc/78/72/71/672787271.db2.gz	RLJPCMVIPFKOOP-DOTOQJQBSA-N	1	0	357.520	1.279	20	30		FDEDRO
CC(C)(C)OC1CCN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)CC1	ZINC000262477254	672796054	/nfs/dbraw/zinc/79/60/54/672796054.db2.gz	ZWNYFXDNFJVKDV-AWEZNQCLSA-N	1	0	371.547	1.809	20	30		FDEDRO
C[C@@H]1CN(C(=[NH2+])NCCNC(=O)c2ccc(Br)cc2)CCO1	ZINC000262494996	672798738	/nfs/dbraw/zinc/79/87/38/672798738.db2.gz	WDSUMLVAYVFERT-LLVKDONJSA-N	1	0	369.263	1.214	20	30		FDEDRO
C[C@@H]1CN(C(=[NH2+])NCC2(N3CCOC(C)(C)C3)CCCCC2)CCO1	ZINC000262506430	672800624	/nfs/dbraw/zinc/80/06/24/672800624.db2.gz	ZZODJCJZFFNJLO-MRXNPFEDSA-N	1	0	352.523	1.836	20	30		FDEDRO
CS(=O)(=O)N1CCCC[C@H]1CNC(=[NH2+])N[C@H]1CCOc2ccccc21	ZINC000262628048	672821041	/nfs/dbraw/zinc/82/10/41/672821041.db2.gz	DZOCCAXMIRVTKD-ZFWWWQNUSA-N	1	0	366.487	1.229	20	30		FDEDRO
COc1cccc(NC(=[NH2+])NC[C@H]2CCCC[C@H]2NS(C)(=O)=O)c1	ZINC000262645445	672824419	/nfs/dbraw/zinc/82/44/19/672824419.db2.gz	IZCVVGOUEUGJSF-IUODEOHRSA-N	1	0	354.476	1.530	20	30		FDEDRO
[NH2+]=C(NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)Nc1ccccn1	ZINC000262664810	672827794	/nfs/dbraw/zinc/82/77/94/672827794.db2.gz	OGBHQFHGWCVTPS-LBPRGKRZSA-N	1	0	365.484	1.581	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)NC[C@@](C)(O)c1ccsc1	ZINC000262756638	672843176	/nfs/dbraw/zinc/84/31/76/672843176.db2.gz	DNQSRQOOPBIGBL-CXAGYDPISA-N	1	0	362.503	1.283	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1	ZINC000264219374	672904320	/nfs/dbraw/zinc/90/43/20/672904320.db2.gz	XYIPGCZIDMTIQX-UHFFFAOYSA-N	1	0	368.264	1.891	20	30		FDEDRO
[NH2+]=C(NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)N1CCOCC1	ZINC000264238188	672904799	/nfs/dbraw/zinc/90/47/99/672904799.db2.gz	DNBIDVWDXSUTQN-INIZCTEOSA-N	1	0	352.866	1.360	20	30		FDEDRO
CCCCOCCNC(=O)CON=C(N)c1ccc(C[NH+](C)C)cc1	ZINC000266991230	673230381	/nfs/dbraw/zinc/23/03/81/673230381.db2.gz	BCDJEJIHJWDTFV-UHFFFAOYSA-N	1	0	350.463	1.318	20	30		FDEDRO
CN(CCCN(C)CCS(=O)(=O)c1ccc(C#N)cc1)CC[NH+](C)C	ZINC000289356364	676124097	/nfs/dbraw/zinc/12/40/97/676124097.db2.gz	GTZUWPLPAAEFCA-UHFFFAOYSA-N	1	0	366.531	1.147	20	30		FDEDRO
N#Cc1cncc(S(=O)(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1	ZINC000289777817	676177163	/nfs/dbraw/zinc/17/71/63/676177163.db2.gz	LQOVUTJTBBXTAR-UHFFFAOYSA-N	1	0	356.451	1.680	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1	ZINC000281724196	675550681	/nfs/dbraw/zinc/55/06/81/675550681.db2.gz	FJWIKVVBJXCJBE-BFYDXBDKSA-N	1	0	350.488	1.575	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000281834634	675566545	/nfs/dbraw/zinc/56/65/45/675566545.db2.gz	VXLCOTZPAGYSHM-AEFFLSMTSA-N	1	0	364.515	1.777	20	30		FDEDRO
N#CCOc1ccc(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)cc1	ZINC000282204574	675614060	/nfs/dbraw/zinc/61/40/60/675614060.db2.gz	OCIOGFKJEZSCKK-UHFFFAOYSA-N	1	0	363.483	1.979	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1	ZINC000282588821	675636957	/nfs/dbraw/zinc/63/69/57/675636957.db2.gz	HPTYDJGFWIBAPW-SJLPKXTDSA-N	1	0	364.515	1.477	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1	ZINC000282803159	675641599	/nfs/dbraw/zinc/64/15/99/675641599.db2.gz	YOYZSUUNDSYSOU-GJZGRUSLSA-N	1	0	370.544	1.886	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1	ZINC000282967620	675644553	/nfs/dbraw/zinc/64/45/53/675644553.db2.gz	WLASPYHWEDGHKP-NVXWUHKLSA-N	1	0	350.488	1.749	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H](c1cccs1)[NH+]1CCCC1	ZINC000282989839	675646001	/nfs/dbraw/zinc/64/60/01/675646001.db2.gz	XWQPSYQDROOIQP-UONOGXRCSA-N	1	0	356.517	1.811	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NCc1ccccc1OCC[NH+](C)C	ZINC000283031442	675647366	/nfs/dbraw/zinc/64/73/66/675647366.db2.gz	QKGQJKYRJIOLFY-CQSZACIVSA-N	1	0	354.476	1.195	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1	ZINC000283017791	675647410	/nfs/dbraw/zinc/64/74/10/675647410.db2.gz	PFDVSOGFTSDJAN-JKSUJKDBSA-N	1	0	352.504	1.965	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H](CO)C1)C(C)C	ZINC000283155840	675649467	/nfs/dbraw/zinc/64/94/67/675649467.db2.gz	KGJULIJPDKHDAJ-SJORKVTESA-N	1	0	351.491	1.032	20	30		FDEDRO
CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1	ZINC000286135038	675876885	/nfs/dbraw/zinc/87/68/85/675876885.db2.gz	OFKPNBHUDOUTQF-GOSISDBHSA-N	1	0	362.499	1.541	20	30		FDEDRO
CCCC[N@H+](C)C[C@H](C)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1	ZINC000290817099	676234852	/nfs/dbraw/zinc/23/48/52/676234852.db2.gz	FRGLHWAFKDDECT-AWEZNQCLSA-N	1	0	366.487	1.073	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CSc2nnc(CCC)n2N)CC1	ZINC000291467805	676262139	/nfs/dbraw/zinc/26/21/39/676262139.db2.gz	IWUUIIUHBDWUBA-UHFFFAOYSA-N	1	0	352.508	1.193	20	30		FDEDRO
C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000293211322	676337837	/nfs/dbraw/zinc/33/78/37/676337837.db2.gz	ZUZIMLOOHWDZPK-UHFFFAOYSA-N	1	0	367.247	1.716	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NC[C@@H](c1cccs1)N1CCOCC1	ZINC000296203963	676415931	/nfs/dbraw/zinc/41/59/31/676415931.db2.gz	NPNFOFTZEYNLAL-INIZCTEOSA-N	1	0	364.515	1.376	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCCCS(=O)(=O)c1ccccc1	ZINC000296276374	676417444	/nfs/dbraw/zinc/41/74/44/676417444.db2.gz	IADAUMFYEBZFML-UHFFFAOYSA-N	1	0	351.472	1.105	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+][C@](C)(C(N)=O)C(C)C)c(OC)c1	ZINC000297312859	676425742	/nfs/dbraw/zinc/42/57/42/676425742.db2.gz	BVHFDVGLKIPLDC-KXBFYZLASA-N	1	0	350.459	1.653	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CCNS(=O)(=O)c1cccs1	ZINC000299666294	676538638	/nfs/dbraw/zinc/53/86/38/676538638.db2.gz	RILVSNNAVZGHRQ-UHFFFAOYSA-N	1	0	372.516	1.110	20	30		FDEDRO
CC(C)C(=O)NCCNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1	ZINC000303779657	676542847	/nfs/dbraw/zinc/54/28/47/676542847.db2.gz	KTOUUDRHQMVITF-UHFFFAOYSA-N	1	0	351.882	1.549	20	30		FDEDRO
[NH2+]=C(NCCc1ccc(OCC(=O)NC2CC2)cc1)N1CCSCC1	ZINC000303881981	676543532	/nfs/dbraw/zinc/54/35/32/676543532.db2.gz	LGDKHUDFSGLUGA-UHFFFAOYSA-N	1	0	362.499	1.250	20	30		FDEDRO
CC(C)(CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)NS(C)(=O)=O	ZINC000304745904	676544335	/nfs/dbraw/zinc/54/43/35/676544335.db2.gz	FJAWCBHGZZOCMG-UHFFFAOYSA-N	1	0	368.381	1.640	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCCc2c(C)noc2C)CC1	ZINC000304823759	676544835	/nfs/dbraw/zinc/54/48/35/676544835.db2.gz	FAWFYXXQBSOXMH-UHFFFAOYSA-N	1	0	351.451	1.749	20	30		FDEDRO
O=C(Nc1nc(CN2CCOCC2)cs1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000328644122	676600514	/nfs/dbraw/zinc/60/05/14/676600514.db2.gz	FSPAQNWODCGSDQ-HUUCEWRRSA-N	1	0	365.503	1.928	20	30		FDEDRO
O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC[C@@H]1CCC2(CCOCC2)[C@H]1O	ZINC000328705163	676603171	/nfs/dbraw/zinc/60/31/71/676603171.db2.gz	PEYYLKPJVCUYQJ-ZOBUZTSGSA-N	1	0	351.491	1.542	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCC(=O)NC23CCC3)C1	ZINC000328744270	676604920	/nfs/dbraw/zinc/60/49/20/676604920.db2.gz	NVSCHJONSBMHTJ-HUUCEWRRSA-N	1	0	352.479	1.888	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H]2CCC(=O)NC2(C)C)CC1	ZINC000328760669	676605813	/nfs/dbraw/zinc/60/58/13/676605813.db2.gz	XQMPBXCKDAIXBT-CABCVRRESA-N	1	0	353.511	1.661	20	30		FDEDRO
C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CC[C@@H]2OCCN(C)[C@@H]2C1	ZINC000328912013	676611911	/nfs/dbraw/zinc/61/19/11/676611911.db2.gz	ORWYJGRMUQIZHU-BMFZPTHFSA-N	1	0	352.479	1.983	20	30		FDEDRO
Cc1noc([C@@H]2CN(C(=O)NCC3([NH+](C)C)CCCC3)CCN2C)n1	ZINC000328993929	676615387	/nfs/dbraw/zinc/61/53/87/676615387.db2.gz	VYCPRUQVCFQKAF-AWEZNQCLSA-N	1	0	350.467	1.455	20	30		FDEDRO
O=C(NC[C@@H](O)C1CCOCC1)NC1CC[NH+](CC2CCCC2)CC1	ZINC000329002037	676615612	/nfs/dbraw/zinc/61/56/12/676615612.db2.gz	HCGSVHZJCIPNOM-GOSISDBHSA-N	1	0	353.507	1.932	20	30		FDEDRO
C[C@H](CNC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)[N@@H+]1CCC[C@@H](C)C1	ZINC000329002010	676615727	/nfs/dbraw/zinc/61/57/27/676615727.db2.gz	XRGPUCXGMLFAEV-VFVRVIDISA-N	1	0	350.463	1.988	20	30		FDEDRO
COCCOc1ncccc1NC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1	ZINC000329047501	676617375	/nfs/dbraw/zinc/61/73/75/676617375.db2.gz	VNOXMSGESXIVFD-LSDHHAIUSA-N	1	0	350.419	1.057	20	30		FDEDRO
O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C1(N2CCOCC2)CCC1	ZINC000329091682	676619495	/nfs/dbraw/zinc/61/94/95/676619495.db2.gz	JQNLYUXQJAXBHU-INIZCTEOSA-N	1	0	351.491	1.699	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)C1	ZINC000329131423	676621904	/nfs/dbraw/zinc/62/19/04/676621904.db2.gz	OVDHBQNQOCEMGV-XDNAFOTISA-N	1	0	353.507	1.883	20	30		FDEDRO
C[C@H](C(=O)Nc1nccs1)N1CCC[C@@](O)(C(=O)N2CCCC2)C1	ZINC000329147278	676622575	/nfs/dbraw/zinc/62/25/75/676622575.db2.gz	XSJHSMZOVSADBB-WBMJQRKESA-N	1	0	352.460	1.569	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CSc2nnnn2C2CCOCC2)CC1	ZINC000329155862	676622991	/nfs/dbraw/zinc/62/29/91/676622991.db2.gz	VMFWBZVSPYRFLQ-UHFFFAOYSA-N	1	0	354.480	1.558	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1	ZINC000329224586	676626571	/nfs/dbraw/zinc/62/65/71/676626571.db2.gz	ZYNDAEOFKUVYCH-BFYDXBDKSA-N	1	0	373.519	1.101	20	30		FDEDRO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1	ZINC000329284506	676630950	/nfs/dbraw/zinc/63/09/50/676630950.db2.gz	ONEKBRCEYDYXNR-FMKPAKJESA-N	1	0	372.535	1.175	20	30		FDEDRO
CN(C[C@H]1CC[N@H+](C)C1)C(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000329310652	676632442	/nfs/dbraw/zinc/63/24/42/676632442.db2.gz	FWNLVBKCADIIIZ-HOTGVXAUSA-N	1	0	351.495	1.464	20	30		FDEDRO
CC[C@@H]1CN(C(=O)NC2CC[NH+](CC(C)C)CC2)C[C@H](C)S1(=O)=O	ZINC000329308434	676632459	/nfs/dbraw/zinc/63/24/59/676632459.db2.gz	YVMBHHZVQXHWJY-GOEBONIOSA-N	1	0	359.536	1.918	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O	ZINC000329334911	676633526	/nfs/dbraw/zinc/63/35/26/676633526.db2.gz	OHCFZIJWUMDZIT-XMTFNYHQSA-N	1	0	353.507	1.883	20	30		FDEDRO
CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1	ZINC000329429447	676638335	/nfs/dbraw/zinc/63/83/35/676638335.db2.gz	HGZFBKPFFIQSFN-HUUCEWRRSA-N	1	0	372.535	1.273	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccc(OCC(F)(F)F)nc1	ZINC000329434200	676638463	/nfs/dbraw/zinc/63/84/63/676638463.db2.gz	ISRNZIYPGRCGCM-GFCCVEGCSA-N	1	0	361.368	1.594	20	30		FDEDRO
COCCC(=O)N1CCC(NC(=O)NC2CC[NH+](C3CC3)CC2)CC1	ZINC000329563914	676644137	/nfs/dbraw/zinc/64/41/37/676644137.db2.gz	SDBQJEIMCHRHAI-UHFFFAOYSA-N	1	0	352.479	1.144	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H](NC(=O)NC3CC3)C2)C1	ZINC000329574228	676644839	/nfs/dbraw/zinc/64/48/39/676644839.db2.gz	NRIMVFSBHVPIOK-ZBFHGGJFSA-N	1	0	351.495	1.761	20	30		FDEDRO
C[C@@H]1CN(C(C)(C)CNC(=O)N2CC[S@](=O)[C@H](C)[C@@H]2C)C[C@@H](C)O1	ZINC000329600248	676645555	/nfs/dbraw/zinc/64/55/55/676645555.db2.gz	PZVITJXKXYSXKP-KTNWVHJHSA-N	1	0	359.536	1.630	20	30		FDEDRO
O=C(N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)N1CC[N@@H+]2CCCC[C@@H]2C1	ZINC000329709136	676650732	/nfs/dbraw/zinc/65/07/32/676650732.db2.gz	MTRDYOLRWSICJM-HUUCEWRRSA-N	1	0	370.519	1.027	20	30		FDEDRO
C[C@]1(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCO[C@@H]1C1CC1	ZINC000329727254	676651958	/nfs/dbraw/zinc/65/19/58/676651958.db2.gz	FCIYPYFFHNIJRS-YJLNNSPDSA-N	1	0	351.491	1.949	20	30		FDEDRO
CCS(=O)(=O)N1CCC(NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)CC1	ZINC000329841376	676660274	/nfs/dbraw/zinc/66/02/74/676660274.db2.gz	NMMVOEBASPAWKT-AWEZNQCLSA-N	1	0	374.551	1.377	20	30		FDEDRO
CCC[NH+]1CCC(CNC(=O)[C@H]2C[C@H](OC)CN2S(C)(=O)=O)CC1	ZINC000329867956	676661693	/nfs/dbraw/zinc/66/16/93/676661693.db2.gz	WUMADFXTFDSVEP-LSDHHAIUSA-N	1	0	361.508	1.114	20	30		FDEDRO
Cn1cc([C@@]2(C)CN(C(=O)NC[C@@]3([NH+](C)C)CCSC3)CCO2)cn1	ZINC000329967655	676666116	/nfs/dbraw/zinc/66/61/16/676666116.db2.gz	WHYDKDQDQPWYHL-SJORKVTESA-N	1	0	367.519	1.319	20	30		FDEDRO
Cc1cnc(NC(=O)N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)o1	ZINC000329984516	676667465	/nfs/dbraw/zinc/66/74/65/676667465.db2.gz	CIJIAVUCXIAPTM-HNNXBMFYSA-N	1	0	351.451	1.255	20	30		FDEDRO
O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)N[C@@H]1CC[S@@](=O)C1	ZINC000330030883	676669219	/nfs/dbraw/zinc/66/92/19/676669219.db2.gz	SFNMBCMWTDUEGT-CPJLOUKISA-N	1	0	365.499	1.168	20	30		FDEDRO
CCC(=O)N1CC[C@H](NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C1	ZINC000330272686	676682428	/nfs/dbraw/zinc/68/24/28/676682428.db2.gz	XYWZNAFVMWIGQZ-GJZGRUSLSA-N	1	0	352.479	1.096	20	30		FDEDRO
CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H]1CCCC[C@H]1S(C)(=O)=O	ZINC000330273597	676682676	/nfs/dbraw/zinc/68/26/76/676682676.db2.gz	ZLDYJVNZLKZSMA-QKPAOTATSA-N	1	0	357.520	1.815	20	30		FDEDRO
COC(=O)[C@]1(C)CN(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)C[C@H]1C	ZINC000330368884	676684936	/nfs/dbraw/zinc/68/49/36/676684936.db2.gz	ATTNDCUXJQZNIV-IIDMSEBBSA-N	1	0	354.495	1.057	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CN2CCOCC2)C1	ZINC000330371617	676685974	/nfs/dbraw/zinc/68/59/74/676685974.db2.gz	ALOYOQKSRDUPMX-ZIFCJYIRSA-N	1	0	350.507	1.474	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)NCC2CCN(S(C)(=O)=O)CC2)CCCC1	ZINC000330431175	676690221	/nfs/dbraw/zinc/69/02/21/676690221.db2.gz	LPSVISNEUHXWPX-UHFFFAOYSA-N	1	0	360.524	1.036	20	30		FDEDRO
CS[C@@H]1CN(CC(=O)NC(=O)Nc2cccc(C)c2C)C[C@@H]1[NH+](C)C	ZINC000330506726	676694426	/nfs/dbraw/zinc/69/44/26/676694426.db2.gz	LWZZEWYHWKDHGN-JKSUJKDBSA-N	1	0	364.515	1.943	20	30		FDEDRO
Cc1occc1C(=O)NC1CC[NH+](CCCS(=O)(=O)N(C)C)CC1	ZINC000330540378	676695127	/nfs/dbraw/zinc/69/51/27/676695127.db2.gz	VLUUZCOKIXKUPT-UHFFFAOYSA-N	1	0	357.476	1.639	20	30		FDEDRO
Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1	ZINC000330699578	676701318	/nfs/dbraw/zinc/70/13/18/676701318.db2.gz	HRAZAIYWIRRFRQ-IJLUTSLNSA-N	1	0	357.476	1.906	20	30		FDEDRO
CNS(=O)(=O)c1cc(NC(=O)N2CC[NH+](C(C)C)CC2)ccc1C	ZINC000330795923	676704407	/nfs/dbraw/zinc/70/44/07/676704407.db2.gz	FIJUBJGAYILAHG-UHFFFAOYSA-N	1	0	354.476	1.475	20	30		FDEDRO
CNS(=O)(=O)c1cccc(NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1	ZINC000330883280	676708092	/nfs/dbraw/zinc/70/80/92/676708092.db2.gz	JLYWLOHFQNVZTI-ZDUSSCGKSA-N	1	0	368.503	1.802	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O	ZINC000331158030	676719044	/nfs/dbraw/zinc/71/90/44/676719044.db2.gz	DZWDJBUVZLPIQA-RBSFLKMASA-N	1	0	360.524	1.225	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](CNC(=O)NCc2ncccc2S(C)(=O)=O)C1	ZINC000331178437	676720180	/nfs/dbraw/zinc/72/01/80/676720180.db2.gz	QKCUGKBTJUWKAH-CYBMUJFWSA-N	1	0	354.476	1.221	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)CCCC1	ZINC000331319467	676727080	/nfs/dbraw/zinc/72/70/80/676727080.db2.gz	KNQBQEBLRSQTAX-LBPRGKRZSA-N	1	0	364.412	1.918	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1	ZINC000332592120	676743314	/nfs/dbraw/zinc/74/33/14/676743314.db2.gz	FQMUDZABZOICFY-HOCLYGCPSA-N	1	0	363.483	1.460	20	30		FDEDRO
N#Cc1ccsc1NC(=O)CN1CCC(CC[NH+]2CCOCC2)CC1	ZINC000360186282	676863294	/nfs/dbraw/zinc/86/32/94/676863294.db2.gz	DKVCETJQSZLFSA-UHFFFAOYSA-N	1	0	362.499	1.993	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(CCC(=O)Nc3sccc3C#N)CC2)C1	ZINC000362944127	676927888	/nfs/dbraw/zinc/92/78/88/676927888.db2.gz	XEQUSRLCFXRRKT-INIZCTEOSA-N	1	0	361.515	1.660	20	30		FDEDRO
N#Cc1ccc(OCCC[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1	ZINC000365519964	677361329	/nfs/dbraw/zinc/36/13/29/677361329.db2.gz	ZKNMPKVPHVFMHS-QGZVFWFLSA-N	1	0	363.483	1.827	20	30		FDEDRO
N#CC1(CCC[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)CCOCC1	ZINC000366869316	677471722	/nfs/dbraw/zinc/47/17/22/677471722.db2.gz	OLCVPDZUARNDPW-MRXNPFEDSA-N	1	0	355.504	1.587	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000367031493	677480715	/nfs/dbraw/zinc/48/07/15/677480715.db2.gz	VUKIZQGULLAMMN-QYZOEREBSA-N	1	0	350.551	1.757	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1C[C@H](C(=O)OC)[C@@H](c2ccc(F)cc2F)C1	ZINC000368833850	677501836	/nfs/dbraw/zinc/50/18/36/677501836.db2.gz	JRMGEAFIJBKHDX-DFBGVHRSSA-N	1	0	350.365	1.291	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)NCC1CCN(c2cc[nH+]cc2)CC1	ZINC000369115881	677503190	/nfs/dbraw/zinc/50/31/90/677503190.db2.gz	KBTFZTBWLMJMFN-OAHLLOKOSA-N	1	0	365.503	1.614	20	30		FDEDRO
C#CCSCCNC(=O)N1CCC(N2CC[NH+](CCC)CC2)CC1	ZINC000369606612	677506337	/nfs/dbraw/zinc/50/63/37/677506337.db2.gz	DZJRBJVHACAQML-UHFFFAOYSA-N	1	0	352.548	1.554	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1C(F)(F)F	ZINC000370674589	677603808	/nfs/dbraw/zinc/60/38/08/677603808.db2.gz	WUQYXYOYYUZYCC-PWSUYJOCSA-N	1	0	359.373	1.807	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC(=O)N(c3ccccc3Cl)C2)CC1	ZINC000370878384	677625362	/nfs/dbraw/zinc/62/53/62/677625362.db2.gz	ZHHJCJDRJAGNBW-OAHLLOKOSA-N	1	0	359.857	1.907	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)c([N+](=O)[O-])c1	ZINC000370981705	677635306	/nfs/dbraw/zinc/63/53/06/677635306.db2.gz	DYFUXZOAORIXLO-CQSZACIVSA-N	1	0	364.427	1.212	20	30		FDEDRO
CCCCCCC[NH+]1CCC([C@H](O)c2cn(C)c(=O)n(C)c2=O)CC1	ZINC000371106142	677647509	/nfs/dbraw/zinc/64/75/09/677647509.db2.gz	IVJKSSCVXIGFMC-KRWDZBQOSA-N	1	0	351.491	1.800	20	30		FDEDRO
CNS(=O)(=O)C1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1	ZINC000372399620	677910021	/nfs/dbraw/zinc/91/00/21/677910021.db2.gz	QFMUNJXCBFDCML-UHFFFAOYSA-N	1	0	351.472	1.883	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)cc1Cl	ZINC000372991986	678004499	/nfs/dbraw/zinc/00/44/99/678004499.db2.gz	HLNDJLXRGPPDKK-AWEZNQCLSA-N	1	0	353.875	1.957	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1	ZINC000373998237	678070355	/nfs/dbraw/zinc/07/03/55/678070355.db2.gz	LEBOMVHDNSWZAG-SJORKVTESA-N	1	0	350.507	1.831	20	30		FDEDRO
Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)N3CCO[C@@H](C#N)C3)[C@@H](C)C2)s1	ZINC000374180953	678073929	/nfs/dbraw/zinc/07/39/29/678073929.db2.gz	UBGXJOQZADBTSU-NOLJZWGESA-N	1	0	363.487	1.596	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1	ZINC000374536102	678085318	/nfs/dbraw/zinc/08/53/18/678085318.db2.gz	IBVBGIQAZNIPJQ-WBVHZDCISA-N	1	0	365.503	1.362	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1	ZINC000374543442	678086511	/nfs/dbraw/zinc/08/65/11/678086511.db2.gz	LOOLPDVAIHNKQZ-JFIYKMOQSA-N	1	0	364.515	1.965	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1c2ccccc2CC[C@@H]1[NH+](C)C	ZINC000375708662	678158759	/nfs/dbraw/zinc/15/87/59/678158759.db2.gz	WTYHHJJACANINV-XOKHGSTOSA-N	1	0	350.488	1.672	20	30		FDEDRO
C[C@H]1CCOCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000376151772	678232420	/nfs/dbraw/zinc/23/24/20/678232420.db2.gz	PUIFFVCQPDRWEA-JKSUJKDBSA-N	1	0	362.499	1.568	20	30		FDEDRO
CCC[NH+]1CCC(N2CCN(S(=O)(=O)c3ccc(C#N)o3)CC2)CC1	ZINC000376245696	678252361	/nfs/dbraw/zinc/25/23/61/678252361.db2.gz	ARPQLDWCFNRICG-UHFFFAOYSA-N	1	0	366.487	1.332	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)N1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1	ZINC000376409973	678297789	/nfs/dbraw/zinc/29/77/89/678297789.db2.gz	OCUTZVFWPARKBM-ZBFHGGJFSA-N	1	0	357.520	1.682	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](N3CC[NH+]([C@H]4CCSC4)CC3)C2=O)cc1	ZINC000378015964	678672815	/nfs/dbraw/zinc/67/28/15/678672815.db2.gz	CGWWMULUPVZICG-ZWKOTPCHSA-N	1	0	356.495	1.787	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C	ZINC000409589363	678864672	/nfs/dbraw/zinc/86/46/72/678864672.db2.gz	PMOPATUIOHYLNF-WBVHZDCISA-N	1	0	352.504	1.914	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c1	ZINC000423982740	680824338	/nfs/dbraw/zinc/82/43/38/680824338.db2.gz	KBQDFDBHCGVLTF-CXAGYDPISA-N	1	0	351.472	1.208	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl	ZINC000424102617	680829744	/nfs/dbraw/zinc/82/97/44/680829744.db2.gz	BLFUCVVSFDJXFH-CMPLNLGQSA-N	1	0	360.241	1.870	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N[C@H](C(N)=O)c1cccc(Br)c1	ZINC000424109079	680830304	/nfs/dbraw/zinc/83/03/04/680830304.db2.gz	AMBGNJYHNCRNRM-RYUDHWBXSA-N	1	0	353.220	1.113	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1CCN(Cc2nc3ccccc3s2)CC1	ZINC000424144395	680830863	/nfs/dbraw/zinc/83/08/63/680830863.db2.gz	XLTRGFFCJQWMDE-CQSZACIVSA-N	1	0	357.483	1.962	20	30		FDEDRO
C[NH+](C)CCOc1ccc(NS(=O)(=O)c2cncc(C#N)c2)c(F)c1	ZINC000414476195	679355566	/nfs/dbraw/zinc/35/55/66/679355566.db2.gz	XFPJIFJPFULYBB-UHFFFAOYSA-N	1	0	364.402	1.834	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@](C)(C[NH3+])C2)cc1	ZINC000414896126	679373104	/nfs/dbraw/zinc/37/31/04/679373104.db2.gz	OIZJOSWZPIFZTQ-KRWDZBQOSA-N	1	0	366.487	1.696	20	30		FDEDRO
C[NH2+]CCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	ZINC000415365864	679415575	/nfs/dbraw/zinc/41/55/75/679415575.db2.gz	WYTAKIQAAWVATD-UHFFFAOYSA-N	1	0	374.388	1.985	20	30		FDEDRO
C[NH2+]C[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1	ZINC000415457470	679433909	/nfs/dbraw/zinc/43/39/09/679433909.db2.gz	LFROJPSVXJZSJT-CYBMUJFWSA-N	1	0	358.833	2.471	20	30		FDEDRO
CCC([NH3+])(CC)CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000415496586	679440035	/nfs/dbraw/zinc/44/00/35/679440035.db2.gz	RWLJRKXKTXIFOX-UHFFFAOYSA-N	1	0	367.247	1.893	20	30		FDEDRO
CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)s1	ZINC000415610969	679464841	/nfs/dbraw/zinc/46/48/41/679464841.db2.gz	WTYPNDKFYFLFOX-NSHDSACASA-N	1	0	350.444	1.042	20	30		FDEDRO
C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000415620171	679466853	/nfs/dbraw/zinc/46/68/53/679466853.db2.gz	UIRAKNHOXBBPSH-ZANVPECISA-N	1	0	365.231	1.373	20	30		FDEDRO
N#Cc1cc(NC(=O)NCCN2CC[NH2+]CC2)ccc1OC(F)(F)F	ZINC000415654591	679472623	/nfs/dbraw/zinc/47/26/23/679472623.db2.gz	HXFHLFDKEUXWNP-UHFFFAOYSA-N	1	0	357.336	1.484	20	30		FDEDRO
CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000415658955	679473430	/nfs/dbraw/zinc/47/34/30/679473430.db2.gz	MIUOFASFZGKYPE-SECBINFHSA-N	1	0	353.220	1.373	20	30		FDEDRO
CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000415793561	679503536	/nfs/dbraw/zinc/50/35/36/679503536.db2.gz	VGTJKAJRGLJJJN-JTQLQIEISA-N	1	0	358.320	1.291	20	30		FDEDRO
N#Cc1ncc(NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1Cl	ZINC000415813322	679511889	/nfs/dbraw/zinc/51/18/89/679511889.db2.gz	UBMRVVVZGNXWCG-GFCCVEGCSA-N	1	0	364.837	1.458	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1	ZINC000418569116	680092256	/nfs/dbraw/zinc/09/22/56/680092256.db2.gz	PILPZUQYLCQAMM-IUODEOHRSA-N	1	0	352.385	1.012	20	30		FDEDRO
O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC(F)(F)C(F)(F)C1	ZINC000418613333	680098302	/nfs/dbraw/zinc/09/83/02/680098302.db2.gz	JMKCTDDUUYHEAG-QMMMGPOBSA-N	1	0	366.281	1.118	20	30		FDEDRO
C=CCCCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1	ZINC000419047980	680179074	/nfs/dbraw/zinc/17/90/74/680179074.db2.gz	ZAEBJZLAZLHEHV-CZUORRHYSA-N	1	0	351.397	1.609	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1	ZINC000419821408	680363967	/nfs/dbraw/zinc/36/39/67/680363967.db2.gz	OICJSTNCIDCXRK-UHFFFAOYSA-N	1	0	365.231	1.470	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000420443885	680454305	/nfs/dbraw/zinc/45/43/05/680454305.db2.gz	YUMQVQKPZYHNKI-NOZJJQNGSA-N	1	0	358.261	1.597	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1	ZINC000420453241	680459385	/nfs/dbraw/zinc/45/93/85/680459385.db2.gz	CUAZOQOZTQWOAN-JSGCOSHPSA-N	1	0	364.427	1.619	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)s1	ZINC000420895308	680567948	/nfs/dbraw/zinc/56/79/48/680567948.db2.gz	YYDWBOAXRHBFMQ-UHFFFAOYSA-N	1	0	361.471	1.069	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CS[C@H](C)C1)C(C)C	ZINC000421740004	680674211	/nfs/dbraw/zinc/67/42/11/680674211.db2.gz	GKFIVJPQHQAYCY-OWCLPIDISA-N	1	0	353.532	1.811	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)CCOCC1CC1	ZINC000425157434	680876120	/nfs/dbraw/zinc/87/61/20/680876120.db2.gz	OATUBRQLZZWMON-UHFFFAOYSA-N	1	0	365.499	1.678	20	30		FDEDRO
CCOC1(C)CC[NH+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1	ZINC000428729697	681012304	/nfs/dbraw/zinc/01/23/04/681012304.db2.gz	NZEHJFGXWXXCKO-QGZVFWFLSA-N	1	0	350.507	1.570	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1	ZINC000430391334	681074880	/nfs/dbraw/zinc/07/48/80/681074880.db2.gz	ZBYMLUUHTOEVCJ-HZMVEIRTSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CCN(C(=O)C[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1	ZINC000433303341	681179007	/nfs/dbraw/zinc/17/90/07/681179007.db2.gz	KRWBBTQECFTVOG-IAGOWNOFSA-N	1	0	350.484	1.881	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)c1	ZINC000440086034	681968595	/nfs/dbraw/zinc/96/85/95/681968595.db2.gz	DBUDLKDZMXALLF-INIZCTEOSA-N	1	0	365.499	1.754	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1	ZINC000440348149	681989308	/nfs/dbraw/zinc/98/93/08/681989308.db2.gz	XCSSKNKXNXSAEB-DZGCQCFKSA-N	1	0	351.472	1.269	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c1	ZINC000440416623	681996802	/nfs/dbraw/zinc/99/68/02/681996802.db2.gz	ARLBOOLXAWAMRD-DZGCQCFKSA-N	1	0	351.472	1.350	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@]2(C)CCC[NH2+]C2)c1	ZINC000440861063	682035328	/nfs/dbraw/zinc/03/53/28/682035328.db2.gz	QAWCZAOPZFGEAE-KRWDZBQOSA-N	1	0	351.472	1.270	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)CC1	ZINC000444709534	682421557	/nfs/dbraw/zinc/42/15/57/682421557.db2.gz	SIIDGELNBUGHHC-LSDHHAIUSA-N	1	0	360.424	1.953	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C[NH3+])C2CCCC2)c1	ZINC000447247838	682539785	/nfs/dbraw/zinc/53/97/85/682539785.db2.gz	SEXFYWNHLHEEQN-MRXNPFEDSA-N	1	0	351.472	1.398	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@]2(C[NH3+])CCCC[C@H]2C)c1	ZINC000448177346	682599869	/nfs/dbraw/zinc/59/98/69/682599869.db2.gz	FHNRALSAGNQNCQ-RDTXWAMCSA-N	1	0	365.499	1.788	20	30		FDEDRO
CC1(C)CN(C(=O)COc2ccc(C#N)c(Br)c2)CC[NH2+]1	ZINC000450081046	682733340	/nfs/dbraw/zinc/73/33/40/682733340.db2.gz	IUFIZHFDHHKUIG-UHFFFAOYSA-N	1	0	352.232	1.910	20	30		FDEDRO
C[NH+]1CCC(CCO)(NC(=O)c2cccc(C#N)c2Br)CC1	ZINC000450680485	682772950	/nfs/dbraw/zinc/77/29/50/682772950.db2.gz	LZOHIANLVNAVEG-UHFFFAOYSA-N	1	0	366.259	1.897	20	30		FDEDRO
COC[C@]1(C(=O)OC)CC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1	ZINC000451332886	682863165	/nfs/dbraw/zinc/86/31/65/682863165.db2.gz	XFILWMQXPYKRAE-PBHICJAKSA-N	1	0	351.447	1.229	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1	ZINC000453660705	683179053	/nfs/dbraw/zinc/17/90/53/683179053.db2.gz	ZLLYRFGRXJCUCX-ZDUSSCGKSA-N	1	0	364.833	1.181	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453672103	683182595	/nfs/dbraw/zinc/18/25/95/683182595.db2.gz	QTYBWMMEEYYBNC-MEDUHNTESA-N	1	0	360.845	1.943	20	30		FDEDRO
C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000455751651	683495258	/nfs/dbraw/zinc/49/52/58/683495258.db2.gz	AQSFNIQIKQQSCH-NSHDSACASA-N	1	0	351.838	1.916	20	30		FDEDRO
CC[C@H]1CN(C(=O)Nc2cnc(C#N)c(Cl)c2)CC[N@@H+]1C[C@H](C)O	ZINC000455780398	683499450	/nfs/dbraw/zinc/49/94/50/683499450.db2.gz	ILCZUKCUJUMXDJ-AAEUAGOBSA-N	1	0	351.838	1.916	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+](CC)C[C@H]2CC)c1	ZINC000456354015	683614211	/nfs/dbraw/zinc/61/42/11/683614211.db2.gz	OZDGFJSANRSOHL-MRXNPFEDSA-N	1	0	365.499	1.707	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](CC)C[C@H]2CC)cc1	ZINC000456359772	683614703	/nfs/dbraw/zinc/61/47/03/683614703.db2.gz	UTUJTLAIMPHVFG-MRXNPFEDSA-N	1	0	365.499	1.707	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000460060583	684514376	/nfs/dbraw/zinc/51/43/76/684514376.db2.gz	NZORCCHCCFPVER-HZPDHXFCSA-N	1	0	351.491	1.369	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1	ZINC000464197655	684727897	/nfs/dbraw/zinc/72/78/97/684727897.db2.gz	WQXSXNQKWQDFPL-MRXNPFEDSA-N	1	0	363.483	1.919	20	30		FDEDRO
CC[NH+]1CCN(CC(=O)N[C@H](C#N)c2ccc(Br)cc2)CC1	ZINC000468611383	684913889	/nfs/dbraw/zinc/91/38/89/684913889.db2.gz	UWKNWIZYSWSBCM-OAHLLOKOSA-N	1	0	365.275	1.767	20	30		FDEDRO
CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)N(C)CCC#N	ZINC000469416171	684969135	/nfs/dbraw/zinc/96/91/35/684969135.db2.gz	MYYGVPXPBBGATE-QGZVFWFLSA-N	1	0	352.504	1.823	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCSC[C@@H]2CCO)c(OC)c1	ZINC000470204649	685015140	/nfs/dbraw/zinc/01/51/40/685015140.db2.gz	BCTGTELNORJNTA-IRXDYDNUSA-N	1	0	367.511	1.963	20	30		FDEDRO
C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000480717184	686213046	/nfs/dbraw/zinc/21/30/46/686213046.db2.gz	SMJINRQNFVLATB-AWEZNQCLSA-N	1	0	368.478	1.143	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1	ZINC000483091707	686467863	/nfs/dbraw/zinc/46/78/63/686467863.db2.gz	VSRLMOHLLYZQCF-NVXWUHKLSA-N	1	0	361.511	1.974	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1	ZINC000483502413	686513032	/nfs/dbraw/zinc/51/30/32/686513032.db2.gz	LDYJZTJULADGBN-VNHYZAJKSA-N	1	0	364.471	1.977	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl	ZINC000490502588	687145721	/nfs/dbraw/zinc/14/57/21/687145721.db2.gz	ZKEHGJJYZHEFSA-ZDUSSCGKSA-N	1	0	364.833	1.377	20	30		FDEDRO
CC(C)[C@@H](CNS(=O)(=O)CC1(C#N)CCCC1)N1CC[NH+](C)CC1	ZINC000498914570	687878719	/nfs/dbraw/zinc/87/87/19/687878719.db2.gz	ZRDCEGXZICPJRP-MRXNPFEDSA-N	1	0	356.536	1.262	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccccc2CNS(=O)(=O)[C@@H](C)C#N)CC1	ZINC000510807874	689424283	/nfs/dbraw/zinc/42/42/83/689424283.db2.gz	CTWREMNOUBAVIZ-HNNXBMFYSA-N	1	0	350.488	1.156	20	30		FDEDRO
C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1	ZINC000512433043	689614661	/nfs/dbraw/zinc/61/46/61/689614661.db2.gz	JKWYTPKREZOSMU-ZACQAIPSSA-N	1	0	352.475	1.620	20	30		FDEDRO
CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1cnc2ccc(C#N)cn12	ZINC000512860000	689644495	/nfs/dbraw/zinc/64/44/95/689644495.db2.gz	FZRHDFBGWKLWPZ-GOEBONIOSA-N	1	0	361.471	1.404	20	30		FDEDRO
COc1cc(C[NH2+]C[C@H]2CCCCN2S(=O)(=O)N(C)C)ccc1C#N	ZINC000514753868	689762390	/nfs/dbraw/zinc/76/23/90/689762390.db2.gz	VAEVCDYUIDOQNK-MRXNPFEDSA-N	1	0	366.487	1.317	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1	ZINC000515339504	689843455	/nfs/dbraw/zinc/84/34/55/689843455.db2.gz	JONPGUSGRIDLPN-ROUUACIJSA-N	1	0	363.483	1.606	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1C(F)(F)F	ZINC000516768990	689988377	/nfs/dbraw/zinc/98/83/77/689988377.db2.gz	KYJMTMTWMQACAA-VXGBXAGGSA-N	1	0	359.373	1.807	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1	ZINC000525618662	694631106	/nfs/dbraw/zinc/63/11/06/694631106.db2.gz	ZKFOOCBKCXKYOY-HIFRSBDPSA-N	1	0	351.472	1.363	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1	ZINC000525618655	694631266	/nfs/dbraw/zinc/63/12/66/694631266.db2.gz	ZKFOOCBKCXKYOY-DZGCQCFKSA-N	1	0	351.472	1.363	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1	ZINC000528404300	694715585	/nfs/dbraw/zinc/71/55/85/694715585.db2.gz	ICRCVVJKIACEAL-ZBFHGGJFSA-N	1	0	358.360	1.933	20	30		FDEDRO
C=CC[C@@H]1[N@@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)CCCC1(C)C	ZINC000639612321	695475886	/nfs/dbraw/zinc/47/58/86/695475886.db2.gz	NLUAXBCTWALHGV-INIZCTEOSA-N	1	0	371.547	1.593	20	30		FDEDRO
COc1cc(C(F)(F)N2C[C@@H]3C[NH2+]C[C@]3(CO)C2)c(C#N)c(Cl)n1	ZINC001164404582	718852298	/nfs/dbraw/zinc/85/22/98/718852298.db2.gz	KJSXNPBQHVHKTJ-LKFCYVNXSA-N	1	0	358.776	1.178	20	30		FDEDRO
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cnc(C#N)cn2)CC1	ZINC001164819648	720300424	/nfs/dbraw/zinc/30/04/24/720300424.db2.gz	FKYIYZGBWPQOOV-DLBZAZTESA-N	1	0	354.458	1.260	20	30		FDEDRO
CCc1nc(C#N)c(C#N)nc1N1Cc2nccn2C[C@H](C[NH+](C)C)C1	ZINC001164735844	720532633	/nfs/dbraw/zinc/53/26/33/720532633.db2.gz	SIEKJZDSQSEAKC-ZDUSSCGKSA-N	1	0	350.430	1.177	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1	ZINC001164743552	720808042	/nfs/dbraw/zinc/80/80/42/720808042.db2.gz	GZIIXQRMVUNOPZ-GBESFXJTSA-N	1	0	363.469	1.924	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc(Cl)c3C#N)CC[C@@H]2C1	ZINC001164854335	720842044	/nfs/dbraw/zinc/84/20/44/720842044.db2.gz	REXONIMQLGMLIJ-TZMCWYRMSA-N	1	0	351.838	1.175	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3nccc(Cl)c3C#N)CC[C@@H]2C1	ZINC001164857143	720843568	/nfs/dbraw/zinc/84/35/68/720843568.db2.gz	XTNXBACYALZLLU-CZUORRHYSA-N	1	0	350.850	1.780	20	30		FDEDRO
CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncc(C#N)cc4F)C3)O2)CC1	ZINC001164890806	721424983	/nfs/dbraw/zinc/42/49/83/721424983.db2.gz	FWWACGNVRZTZDO-XLIONFOSSA-N	1	0	373.476	1.858	20	30		FDEDRO
COc1nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1C#N	ZINC001164898564	721521875	/nfs/dbraw/zinc/52/18/75/721521875.db2.gz	IWFTZFITMLAPJE-RDJZCZTQSA-N	1	0	369.400	1.838	20	30		FDEDRO
CCOC(=O)c1cc(C)nc(N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)c1C#N	ZINC001164928079	721856501	/nfs/dbraw/zinc/85/65/01/721856501.db2.gz	NGGRUFXGLNKSRR-QZTJIDSGSA-N	1	0	371.485	1.653	20	30		FDEDRO
C=CCCn1cc(CN[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)nn1	ZINC000657371635	782347225	/nfs/dbraw/zinc/34/72/25/782347225.db2.gz	XUIGYRVMTWJKDO-ICSRJNTNSA-N	1	0	355.486	1.827	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)c2ccn(CCOC)n2)C[C@H]1C	ZINC001104405958	782348170	/nfs/dbraw/zinc/34/81/70/782348170.db2.gz	WKADSJMILBWFHI-UKRRQHHQSA-N	1	0	354.882	1.970	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N2C[C@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@H]32)CC1	ZINC000972142485	782481023	/nfs/dbraw/zinc/48/10/23/782481023.db2.gz	PMJVSPLGGZCLGY-SJLPKXTDSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(C)n[nH]2)C[C@H]1c1ccccc1	ZINC001211541772	782498306	/nfs/dbraw/zinc/49/83/06/782498306.db2.gz	GYUHANZKJJBSGF-FUHWJXTLSA-N	1	0	367.453	1.218	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21	ZINC000972152149	782550035	/nfs/dbraw/zinc/55/00/35/782550035.db2.gz	LVQIIICHKUKXIV-ZTFGCOKTSA-N	1	0	369.469	1.432	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)C[N@H+]4CCC[C@@H]4C)[C@@H]3C2)cn1	ZINC001022717889	782573256	/nfs/dbraw/zinc/57/32/56/782573256.db2.gz	NWGXHMDNPJXUIL-VDZJLULYSA-N	1	0	366.465	1.220	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)C[N@H+]4CC[C@@H](C)C4)[C@@H]3C2)cn1	ZINC001022719806	782585897	/nfs/dbraw/zinc/58/58/97/782585897.db2.gz	BRLPBZAQRJOXGC-HHXXYDBFSA-N	1	0	366.465	1.078	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCOC23CCOCC3)cc1	ZINC000934406016	782636480	/nfs/dbraw/zinc/63/64/80/782636480.db2.gz	NYVQLHQZIYCKHC-INIZCTEOSA-N	1	0	350.440	1.260	20	30		FDEDRO
COC(=O)COc1ccc([C@H](C)[NH2+]CC(=O)N(CCC#N)CCC#N)cc1	ZINC000274492579	768819773	/nfs/dbraw/zinc/81/97/73/768819773.db2.gz	SXQPQIOEDNWVKD-HNNXBMFYSA-N	1	0	372.425	1.545	20	30		FDEDRO
COCC#CCN1C[C@@H](NC(=O)c2cccnc2C(F)F)[C@H](OC)C1	ZINC001213147208	769030039	/nfs/dbraw/zinc/03/00/39/769030039.db2.gz	QOWOHPJZMZFNHF-ZIAGYGMSSA-N	1	0	353.369	1.098	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cncc(OC(C)C)n2)CC1	ZINC000654777582	769051484	/nfs/dbraw/zinc/05/14/84/769051484.db2.gz	USCWTHJCCQTCCG-UHFFFAOYSA-N	1	0	361.446	1.359	20	30		FDEDRO
C#CCSCC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1	ZINC000889092495	769733429	/nfs/dbraw/zinc/73/34/29/769733429.db2.gz	GUMCZMAXUJQPKA-UHFFFAOYSA-N	1	0	361.511	1.642	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@H](CO)CC[NH+](CC)CC)cc2C1=O	ZINC000655047712	769900106	/nfs/dbraw/zinc/90/01/06/769900106.db2.gz	KMKPWXUHXHWDGT-HNNXBMFYSA-N	1	0	373.453	1.291	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCc3ccccc32)C1	ZINC001022737029	782798568	/nfs/dbraw/zinc/79/85/68/782798568.db2.gz	NAIZKPWWXIHWRR-NTDBWNAOSA-N	1	0	369.465	1.404	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc1F	ZINC000969396892	770080245	/nfs/dbraw/zinc/08/02/45/770080245.db2.gz	BUKOEYUHUIKAMU-OMWFQVSUSA-N	1	0	355.413	1.811	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@@H](O)C2)CC1	ZINC000969508470	770340260	/nfs/dbraw/zinc/34/02/60/770340260.db2.gz	KIMFGYZOUMXOLI-SJORKVTESA-N	1	0	363.502	1.295	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1C	ZINC001020599553	770946625	/nfs/dbraw/zinc/94/66/25/770946625.db2.gz	GGAFVHIHGCMRBR-NBMRYCAZSA-N	1	0	368.437	1.645	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2C(F)F)C1	ZINC001020604794	770983121	/nfs/dbraw/zinc/98/31/21/770983121.db2.gz	OOYNTLDQANTACY-SYQHCUMBSA-N	1	0	354.401	1.686	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2nc(CCC(C)C)no2)C1	ZINC001020605393	770985725	/nfs/dbraw/zinc/98/57/25/770985725.db2.gz	GEAPEHGSNFPIFI-FPCVCCKLSA-N	1	0	362.474	1.986	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCO[C@H]3C(=C)C)C2)C1=O	ZINC001020713904	771286282	/nfs/dbraw/zinc/28/62/82/771286282.db2.gz	IAVWFSXTIRXISL-TXTZMMAHSA-N	1	0	361.486	1.381	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1	ZINC001020714874	771287318	/nfs/dbraw/zinc/28/73/18/771287318.db2.gz	ZYPZVWWBJTUGFN-RXYDEIHYSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc(CC)n2C)C1	ZINC001020716369	771293547	/nfs/dbraw/zinc/29/35/47/771293547.db2.gz	RWISVLDCDUPWBX-XSWJXKHESA-N	1	0	361.490	1.486	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2c(C)cncc2C)C[C@H]1C	ZINC001104415434	782922518	/nfs/dbraw/zinc/92/25/18/782922518.db2.gz	QRNBOXBQQDNLJV-KZNAEPCWSA-N	1	0	370.497	1.524	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC(=O)NC)C1	ZINC001104239723	771607263	/nfs/dbraw/zinc/60/72/63/771607263.db2.gz	MPFVHUFKFMNTFW-QLFBSQMISA-N	1	0	366.506	1.507	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1	ZINC000430373629	771708809	/nfs/dbraw/zinc/70/88/09/771708809.db2.gz	FWUITNTVNIODMT-MSOLQXFVSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1	ZINC000430395684	771764339	/nfs/dbraw/zinc/76/43/39/771764339.db2.gz	AVOUOEIHRNLLAG-SJLPKXTDSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCNC(C)=O)C1	ZINC001104246744	771805108	/nfs/dbraw/zinc/80/51/08/771805108.db2.gz	CWWIKHMNNWJJBK-SJLPKXTDSA-N	1	0	353.507	1.570	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+][C@@H](C)C(=O)NC(C)(C)C)CC1	ZINC001167277861	771857011	/nfs/dbraw/zinc/85/70/11/771857011.db2.gz	VUFRWQBKUZGNML-XHSDSOJGSA-N	1	0	365.518	1.757	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)c4cc(C)on4)[C@@H]3C2)CC1	ZINC001021031679	771948228	/nfs/dbraw/zinc/94/82/28/771948228.db2.gz	BGDPIZUEUPLRKD-FUHWJXTLSA-N	1	0	370.453	1.001	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000668619188	782971221	/nfs/dbraw/zinc/97/12/21/782971221.db2.gz	ZVWVBXKYPNHZHO-MSOLQXFVSA-N	1	0	350.507	1.084	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)C2)C1=O	ZINC001021112563	772165456	/nfs/dbraw/zinc/16/54/56/772165456.db2.gz	AWGQZZQPMSAYIK-LTFXXXRZSA-N	1	0	371.456	1.953	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1	ZINC000970270097	772225608	/nfs/dbraw/zinc/22/56/08/772225608.db2.gz	NDVCPSATADYUMR-CVEARBPZSA-N	1	0	351.491	1.007	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)c2nnnn2C)C1	ZINC001112512828	782994260	/nfs/dbraw/zinc/99/42/60/782994260.db2.gz	VADVTYMKFCFZMT-BXWFABGCSA-N	1	0	358.490	1.683	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(C)C)C1)OCC	ZINC001104255403	772433880	/nfs/dbraw/zinc/43/38/80/772433880.db2.gz	PAFJOULKKAGRIY-KURKYZTESA-N	1	0	367.534	1.957	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CCN1c1cc[nH+]cc1	ZINC000890985569	772641343	/nfs/dbraw/zinc/64/13/43/772641343.db2.gz	AVPULGXSSUINKF-ZDUSSCGKSA-N	1	0	367.384	1.768	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC(F)(F)C2)C[C@H]1C	ZINC001104272228	772706897	/nfs/dbraw/zinc/70/68/97/772706897.db2.gz	UHQFVKFGPPEPIA-RBSFLKMASA-N	1	0	357.445	1.798	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC)C2)CCOCC1	ZINC001104279571	772754987	/nfs/dbraw/zinc/75/49/87/772754987.db2.gz	FSFJWISOWHXUFU-BRWVUGGUSA-N	1	0	363.502	1.015	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1	ZINC001021324536	772912751	/nfs/dbraw/zinc/91/27/51/772912751.db2.gz	FUROTEUEYMMTCW-CGTJXYLNSA-N	1	0	369.469	1.434	20	30		FDEDRO
C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1	ZINC000275653511	772966885	/nfs/dbraw/zinc/96/68/85/772966885.db2.gz	GRWOKYLADBUQAU-OAHLLOKOSA-N	1	0	371.485	1.774	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCCc2nc(C)no2)C1	ZINC000970572168	772990175	/nfs/dbraw/zinc/99/01/75/772990175.db2.gz	RVCVWGQKFOSJFU-OWQGQXMQSA-N	1	0	362.474	1.728	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(CO)(OC)CC2)c(OC)c1	ZINC000683679510	773008900	/nfs/dbraw/zinc/00/89/00/773008900.db2.gz	RKVHNOAXPZJENP-KRWDZBQOSA-N	1	0	365.470	1.637	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1	ZINC000947236610	773111266	/nfs/dbraw/zinc/11/12/66/773111266.db2.gz	XBQBUPFBPHBCDR-KSZLIROESA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1nnc(C2CC2)[nH]1	ZINC001021385036	773121446	/nfs/dbraw/zinc/12/14/46/773121446.db2.gz	KNMSUVSZRSDOHV-VEDBGLOESA-N	1	0	371.485	1.885	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCCC1	ZINC001021384902	773121536	/nfs/dbraw/zinc/12/15/36/773121536.db2.gz	FRHYMUKSAIRNFA-FVAVCCDCSA-N	1	0	361.486	1.312	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnnn1C	ZINC001021407323	773218303	/nfs/dbraw/zinc/21/83/03/773218303.db2.gz	NNMQLSQGPLRQCD-SGTLBZGDSA-N	1	0	359.474	1.408	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)Nc1ccc(OC)c(OCC[NH+](CC)CC)c1	ZINC000275712863	773260698	/nfs/dbraw/zinc/26/06/98/773260698.db2.gz	NAXPZOCFHYANJP-UHFFFAOYSA-N	1	0	363.458	1.999	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1	ZINC000656027224	773314484	/nfs/dbraw/zinc/31/44/84/773314484.db2.gz	XLYCUPHYJMLYHA-DLBZAZTESA-N	1	0	351.491	1.594	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)CCc2c(C)nc(=O)[nH]c2C)C[C@H]1C	ZINC001104289019	773483555	/nfs/dbraw/zinc/48/35/55/773483555.db2.gz	CDZHRBQBSKNULW-RHSMWYFYSA-N	1	0	358.486	1.829	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000275770372	773715500	/nfs/dbraw/zinc/71/55/00/773715500.db2.gz	DMSFZACQLPHWJO-UHFFFAOYSA-N	1	0	371.441	1.589	20	30		FDEDRO
CC(=O)Nc1ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc1	ZINC000275780122	773729972	/nfs/dbraw/zinc/72/99/72/773729972.db2.gz	FKWBUVFMNYDVOK-UHFFFAOYSA-N	1	0	359.430	1.277	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(F)ccc2F)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104294139	773878233	/nfs/dbraw/zinc/87/82/33/773878233.db2.gz	XWKJSCQBWZRKLQ-CHWSQXEVSA-N	1	0	364.396	1.292	20	30		FDEDRO
N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ncc(Br)cc1Br	ZINC000834500850	773963683	/nfs/dbraw/zinc/96/36/83/773963683.db2.gz	XFOLQDVVFLWOHU-IMTBSYHQSA-N	1	0	374.036	1.448	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCS(=O)(=O)CC	ZINC001111488564	774329385	/nfs/dbraw/zinc/32/93/85/774329385.db2.gz	NUEOCGQCDAZZKU-JJXSEGSLSA-N	1	0	358.504	1.124	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nocc2C)C1	ZINC001104306290	774442665	/nfs/dbraw/zinc/44/26/65/774442665.db2.gz	VYLIFMWCKYYPMU-SUMDDJOVSA-N	1	0	358.486	1.655	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21	ZINC000275918680	774513489	/nfs/dbraw/zinc/51/34/89/774513489.db2.gz	IVROITDAQTYHGF-WMLDXEAASA-N	1	0	373.428	1.719	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC1(C[NH2+][C@@H](C)C(=O)N(C)C)CC1	ZINC001167422232	774561379	/nfs/dbraw/zinc/56/13/79/774561379.db2.gz	LNKBBXZYTYVQKY-ULQDDVLXSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1	ZINC001021699769	774666349	/nfs/dbraw/zinc/66/63/49/774666349.db2.gz	VZZADDWYCRKEDX-SOUVJXGZSA-N	1	0	353.894	1.776	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1	ZINC001021709404	774736702	/nfs/dbraw/zinc/73/67/02/774736702.db2.gz	AYKAMQCZBRFUAG-MLHJIOFPSA-N	1	0	361.486	1.123	20	30		FDEDRO
C[NH+]=C(NCc1nnc(C)n1C)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1	ZINC000261706968	774867345	/nfs/dbraw/zinc/86/73/45/774867345.db2.gz	GVKBCAFRIPNLOT-BLLLJJGKSA-N	1	0	360.437	1.800	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)CC1	ZINC001167437818	774948087	/nfs/dbraw/zinc/94/80/87/774948087.db2.gz	GRPSLDIHFZPVTJ-RBUKOAKNSA-N	1	0	367.493	1.724	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2cncs2)C[C@H]1C	ZINC001104324259	774987465	/nfs/dbraw/zinc/98/74/65/774987465.db2.gz	XAUZDXBZDVLYIZ-RBSFLKMASA-N	1	0	364.515	1.451	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1COC	ZINC000891346155	775040283	/nfs/dbraw/zinc/04/02/83/775040283.db2.gz	HJSXRQDEGBPTON-HNNXBMFYSA-N	1	0	355.479	1.589	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1	ZINC000430556689	775924609	/nfs/dbraw/zinc/92/46/09/775924609.db2.gz	ZFVATTCGDZUQHB-WMZOPIPTSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](O)Cn2cccn2)C1	ZINC001104731694	790405597	/nfs/dbraw/zinc/40/55/97/790405597.db2.gz	SQADUPOVZSFGIA-KURKYZTESA-N	1	0	362.518	1.921	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1nc(C)n(-c3nc[nH]n3)n1)C2	ZINC001112503140	776059687	/nfs/dbraw/zinc/05/96/87/776059687.db2.gz	ADGCZLFDNCXSAO-KSSFIOAISA-N	1	0	370.461	1.102	20	30		FDEDRO
COc1cncc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2c[nH]c(C#N)c2)n1	ZINC001087152114	776083025	/nfs/dbraw/zinc/08/30/25/776083025.db2.gz	ALGDXLOOSOIORP-DYVFJYSZSA-N	1	0	368.441	1.715	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)COCc2ccnc(OC)c2)C[C@H]1C	ZINC001104348650	776286001	/nfs/dbraw/zinc/28/60/01/776286001.db2.gz	MVQVKEGKVIRTTE-SJLPKXTDSA-N	1	0	359.470	1.704	20	30		FDEDRO
C[C@@H]1CCN(C(=O)CN2CN=NC2=O)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087153138	776442110	/nfs/dbraw/zinc/44/21/10/776442110.db2.gz	FNGRTZPEBDLRFG-PBHICJAKSA-N	1	0	368.441	1.272	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)c4ccc(C)o4)C[C@H]32)CC1	ZINC001021883154	776481651	/nfs/dbraw/zinc/48/16/51/776481651.db2.gz	ABOMHZQJIWHULX-ZWKOTPCHSA-N	1	0	369.465	1.606	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)c4coc(C)n4)C[C@H]32)CC1	ZINC001021883550	776484086	/nfs/dbraw/zinc/48/40/86/776484086.db2.gz	IDPHQPPJLDPIJO-FUHWJXTLSA-N	1	0	370.453	1.001	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)/C=C\C4CC4)C[C@H]32)CC1	ZINC001021884266	776498718	/nfs/dbraw/zinc/49/87/18/776498718.db2.gz	VFTCIBSBMKOWSK-ZYHOBAKYSA-N	1	0	355.482	1.357	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@H]4CC45CCC5)C[C@H]32)CC1	ZINC001021886636	776501625	/nfs/dbraw/zinc/50/16/25/776501625.db2.gz	JUAIBUUXNMHPHE-IPMKNSEASA-N	1	0	369.509	1.581	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H]2COCCO2)C1	ZINC001075419049	776502658	/nfs/dbraw/zinc/50/26/58/776502658.db2.gz	PDJGDZOGEXIQEY-QRQLOZEOSA-N	1	0	362.445	1.949	20	30		FDEDRO
C[C@H](C[C@@H]1CCCO1)NC(=O)NCc1cccnc1N1CC[NH+](C)CC1	ZINC000328775389	776546329	/nfs/dbraw/zinc/54/63/29/776546329.db2.gz	SIFXMSKJSQQWKT-WBVHZDCISA-N	1	0	361.490	1.795	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1	ZINC001007661525	790459661	/nfs/dbraw/zinc/45/96/61/790459661.db2.gz	YZXALDRYTJNLOT-QINHECLXSA-N	1	0	363.502	1.369	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000892710772	790478053	/nfs/dbraw/zinc/47/80/53/790478053.db2.gz	BLYHLBIKESDIJB-ZWKOTPCHSA-N	1	0	368.485	1.800	20	30		FDEDRO
C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000892712991	790493174	/nfs/dbraw/zinc/49/31/74/790493174.db2.gz	RRWSYHDREKKPRF-RDJZCZTQSA-N	1	0	354.458	1.268	20	30		FDEDRO
C[C@]1(C2CC2)NC(=O)N(c2ccc(CNC(=[NH2+])N3CCOCC3)cc2)C1=O	ZINC000261909192	776963135	/nfs/dbraw/zinc/96/31/35/776963135.db2.gz	XUNZHBFDOJXIHP-LJQANCHMSA-N	1	0	371.441	1.058	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2ncn(C)n2)C1	ZINC001075421235	777067107	/nfs/dbraw/zinc/06/71/07/777067107.db2.gz	UOSWASVNIYRFIO-NVXWUHKLSA-N	1	0	357.433	1.976	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H]2CCNC2=O)C1	ZINC001075422354	777286518	/nfs/dbraw/zinc/28/65/18/777286518.db2.gz	ZBTQALXAKYMHJN-NXHRZFHOSA-N	1	0	359.445	1.670	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H]2CCC(=O)NC2)C1	ZINC001075422366	777286548	/nfs/dbraw/zinc/28/65/48/777286548.db2.gz	ZQZFBGVEMSFWHJ-ZHALLVOQSA-N	1	0	371.456	1.507	20	30		FDEDRO
Cc1cccc([C@H](C)C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)c1	ZINC001104736266	790525371	/nfs/dbraw/zinc/52/53/71/790525371.db2.gz	RCFBBYIVNVTESX-ZIFCJYIRSA-N	1	0	370.497	1.813	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(C#N)ccc3F)C2)C1	ZINC001022098589	777902294	/nfs/dbraw/zinc/90/22/94/777902294.db2.gz	NAENQXDOGHVVID-FIUQPQMISA-N	1	0	358.417	1.349	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)N2CCCCC2)C1	ZINC001022101748	777931392	/nfs/dbraw/zinc/93/13/92/777931392.db2.gz	QYXHQBBXJRWPKG-SFFUCWETSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CC2(O)CCC2)C1=O	ZINC001087164227	778095271	/nfs/dbraw/zinc/09/52/71/778095271.db2.gz	OBLLLVZUJVPRIH-IKGGRYGDSA-N	1	0	363.502	1.295	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2n[nH]cc2C)C1=O	ZINC001087164842	778106790	/nfs/dbraw/zinc/10/67/90/778106790.db2.gz	RUSARUGPUBNHDK-KBMXLJTQSA-N	1	0	359.474	1.335	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4ccnc4)nn3)[C@H]2C1	ZINC001083222648	778201050	/nfs/dbraw/zinc/20/10/50/778201050.db2.gz	DKTSAOUEKKECPW-DLBZAZTESA-N	1	0	368.441	1.154	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccncc2CC)C[C@H]1C	ZINC001104370757	778236657	/nfs/dbraw/zinc/23/66/57/778236657.db2.gz	BZQPDWDNXQINTR-SOLBZPMBSA-N	1	0	370.497	1.470	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ncccc2CC)C[C@H]1C	ZINC001104370832	778239391	/nfs/dbraw/zinc/23/93/91/778239391.db2.gz	GJODKADQEKUEMA-NVXWUHKLSA-N	1	0	358.486	1.634	20	30		FDEDRO
CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCCN2CC(=O)NCCC#N	ZINC000933505202	778281158	/nfs/dbraw/zinc/28/11/58/778281158.db2.gz	YACUCROCXVEHAG-KSSFIOAISA-N	1	0	350.463	1.786	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)C[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)nc1	ZINC001022211248	778639367	/nfs/dbraw/zinc/63/93/67/778639367.db2.gz	POYMMVCVQFEXEA-JENIJYKNSA-N	1	0	366.465	1.078	20	30		FDEDRO
N#CCOc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)cc1	ZINC001022228733	778777311	/nfs/dbraw/zinc/77/73/11/778777311.db2.gz	NCJBFNDHKJWPNE-CYGHRXIMSA-N	1	0	365.437	1.853	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CN(C)C(=O)N1)C2	ZINC001112507717	778988309	/nfs/dbraw/zinc/98/83/09/778988309.db2.gz	WXISXUVGIKZKLS-QKLQHJQFSA-N	1	0	362.518	1.975	20	30		FDEDRO
CC(=O)N[C@@H]1CCCN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1	ZINC000328863222	779132947	/nfs/dbraw/zinc/13/29/47/779132947.db2.gz	ZDRFZRZKSKGWNT-QGZVFWFLSA-N	1	0	374.489	1.688	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@H]32)cn1	ZINC001022294612	779195081	/nfs/dbraw/zinc/19/50/81/779195081.db2.gz	NSRKNPJGMMJQQJ-IWKCEXAMSA-N	1	0	366.465	1.076	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)NCc1nc(C#N)cs1)[NH+]1CCN(C)CC1	ZINC000891753363	779261088	/nfs/dbraw/zinc/26/10/88/779261088.db2.gz	WYTOZEGKJMNMHP-CQSZACIVSA-N	1	0	350.492	1.086	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)N3CCCO[C@H](C)C3)cn2)CC1	ZINC000328890723	779264765	/nfs/dbraw/zinc/26/47/65/779264765.db2.gz	RZGQAEGDTYSYMA-MRXNPFEDSA-N	1	0	361.490	1.748	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1	ZINC000276750716	779301275	/nfs/dbraw/zinc/30/12/75/779301275.db2.gz	HQDHYAAIEAVPTR-UHFFFAOYSA-N	1	0	358.442	1.744	20	30		FDEDRO
C[NH2+]C[C@H]1CCCCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000891764428	779303057	/nfs/dbraw/zinc/30/30/57/779303057.db2.gz	IRAZWOCMOKKESX-MSOLQXFVSA-N	1	0	369.469	1.837	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@]34CCC[C@@H]3[NH2+]CC4)C2=O)cc1	ZINC000891764953	779318312	/nfs/dbraw/zinc/31/83/12/779318312.db2.gz	MPVJROYHZZUOOD-ZWOKBUDYSA-N	1	0	367.453	1.637	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1	ZINC000891767980	779325653	/nfs/dbraw/zinc/32/56/53/779325653.db2.gz	TYDDURJHKSNYHN-RDJZCZTQSA-N	1	0	371.547	1.916	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@H]32)cc1	ZINC001022336446	779448048	/nfs/dbraw/zinc/44/80/48/779448048.db2.gz	JKAQKBPIKFWWKX-IPMKNSEASA-N	1	0	351.450	1.293	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1	ZINC000276808314	779692399	/nfs/dbraw/zinc/69/23/99/779692399.db2.gz	SJKFHFURSHDXSZ-UHFFFAOYSA-N	1	0	357.454	1.875	20	30		FDEDRO
CC(C)(C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1)[NH+]1CCCC1	ZINC000971851572	779989903	/nfs/dbraw/zinc/98/99/03/779989903.db2.gz	SKUFKFGTKHIWGJ-RHSMWYFYSA-N	1	0	369.469	1.434	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4CCCC[N@H+]4C)[C@@H]3C2)cc1	ZINC001022424264	780030223	/nfs/dbraw/zinc/03/02/23/780030223.db2.gz	SAQUNIXSWGBKFB-SLFFLAALSA-N	1	0	365.477	1.825	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H]2COCC[C@H]2OC)cc1	ZINC000934043161	780641410	/nfs/dbraw/zinc/64/14/10/780641410.db2.gz	FWNBBZIZAUPQSV-QZTJIDSGSA-N	1	0	361.442	1.725	20	30		FDEDRO
COC(=O)C[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)C(C)(C)C	ZINC000934031718	780650933	/nfs/dbraw/zinc/65/09/33/780650933.db2.gz	OSOIDEALOQGUAB-HZPDHXFCSA-N	1	0	366.506	1.246	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cnc3c(c2)NC(=O)CO3)C[C@H]1C	ZINC001104390249	780661561	/nfs/dbraw/zinc/66/15/61/780661561.db2.gz	PQEABVIDCFXAAG-ZIAGYGMSSA-N	1	0	356.426	1.124	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@H]2O)CC1	ZINC001025491324	790829544	/nfs/dbraw/zinc/82/95/44/790829544.db2.gz	XTRZIHHDMABNBY-RCCFBDPRSA-N	1	0	363.502	1.295	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2CCN(C(=O)Cc3ncc[nH]3)[C@@H]2C1	ZINC001022524577	780939514	/nfs/dbraw/zinc/93/95/14/780939514.db2.gz	XROXDIQBAJCLIG-GOEBONIOSA-N	1	0	353.426	1.313	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@](C)(O)CN2Cc3ccccc3C2=O)CC1	ZINC000277169748	780958628	/nfs/dbraw/zinc/95/86/28/780958628.db2.gz	RKYVUPIZNAOHEW-HXUWFJFHSA-N	1	0	357.454	1.160	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2O)CC1	ZINC001025491068	790844229	/nfs/dbraw/zinc/84/42/29/790844229.db2.gz	NQJCRSIGGSOGLH-IAGOWNOFSA-N	1	0	363.502	1.153	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](OC)C(C)C)C2	ZINC001112522699	790897579	/nfs/dbraw/zinc/89/75/79/790897579.db2.gz	KRYAXMHUMXLGOK-IEZWGBDMSA-N	1	0	351.491	1.178	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)CCC(F)F)C[C@H]2C)C1=O	ZINC001104423411	783293401	/nfs/dbraw/zinc/29/34/01/783293401.db2.gz	IBYXSJVRMYRVDZ-KFWWJZLASA-N	1	0	357.445	1.893	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2)C1	ZINC000972350017	783416125	/nfs/dbraw/zinc/41/61/25/783416125.db2.gz	XVYIBFQVKCAFRH-KSZLIROESA-N	1	0	354.454	1.315	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCn2cc(Cl)cn2)C1	ZINC000972375993	783547521	/nfs/dbraw/zinc/54/75/21/783547521.db2.gz	VEGKBAGQWLUOJX-OAGGEKHMSA-N	1	0	352.866	1.660	20	30		FDEDRO
C=CCn1c([C@@H]2CCO[C@H]2C)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000647372613	783745883	/nfs/dbraw/zinc/74/58/83/783745883.db2.gz	QKYCRLFNQMWPPM-YESZJQIVSA-N	1	0	361.490	1.515	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1	ZINC001024120396	783757035	/nfs/dbraw/zinc/75/70/35/783757035.db2.gz	AWFOSYOGCWHWBT-RBSFLKMASA-N	1	0	371.909	1.327	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1c1ccccc1	ZINC001211629450	783787565	/nfs/dbraw/zinc/78/75/65/783787565.db2.gz	RAFLNJVHEIPZTD-ZWKOTPCHSA-N	1	0	354.454	1.009	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[N@H+]3CC)C2)CC1	ZINC001024137680	783825483	/nfs/dbraw/zinc/82/54/83/783825483.db2.gz	XLSNOROCDAKBKZ-FGTMMUONSA-N	1	0	363.502	1.295	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(C(=O)/C(C)=C\c2ccc(F)cc2)CC1	ZINC000255684883	783870961	/nfs/dbraw/zinc/87/09/61/783870961.db2.gz	CCWMZWQBUUAPBD-PEZBUJJGSA-N	1	0	357.429	1.513	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1	ZINC000658504994	784184572	/nfs/dbraw/zinc/18/45/72/784184572.db2.gz	QXHBNGXZIGZCNS-UHFFFAOYSA-N	1	0	365.518	1.810	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N1CCN(Cc2ccccc2)C(C)(C)C1	ZINC000658542613	784257924	/nfs/dbraw/zinc/25/79/24/784257924.db2.gz	WSEVNHAPAPJUHX-UHFFFAOYSA-N	1	0	373.497	1.818	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccc(C#N)s1	ZINC001024491064	784898518	/nfs/dbraw/zinc/89/85/18/784898518.db2.gz	UYHYLCCUGQABOO-ZQIUZPCESA-N	1	0	363.483	1.894	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1	ZINC001024531333	785045220	/nfs/dbraw/zinc/04/52/20/785045220.db2.gz	KCPWMMLCVIAFES-BZUAXINKSA-N	1	0	351.491	1.007	20	30		FDEDRO
CCCn1nc2c(cc1=O)C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)CC2	ZINC000364423371	785054892	/nfs/dbraw/zinc/05/48/92/785054892.db2.gz	KZYXHUJUYUPIIG-UHFFFAOYSA-N	1	0	365.437	1.912	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4cnnn4)cc3)[C@H]2C1	ZINC001083267547	785205854	/nfs/dbraw/zinc/20/58/54/785205854.db2.gz	HHZXNSUQWURHML-ZWKOTPCHSA-N	1	0	368.441	1.154	20	30		FDEDRO
CC(C)[NH+]1CCN([C@H]2CCN(C(=O)COc3ccccc3C#N)C2)CC1	ZINC000375887617	785228070	/nfs/dbraw/zinc/22/80/70/785228070.db2.gz	ZELYFXCSXNLJCT-SFHVURJKSA-N	1	0	356.470	1.564	20	30		FDEDRO
CN1CCC2(CC[NH+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)C1=O	ZINC000376031311	785583201	/nfs/dbraw/zinc/58/32/01/785583201.db2.gz	VNMJKUPDPFZMJW-GOSISDBHSA-N	1	0	366.465	1.998	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCC(=O)N(CCC#N)CCC#N	ZINC000376053084	785693033	/nfs/dbraw/zinc/69/30/33/785693033.db2.gz	CTKCGCZPMOYPTE-FGTMMUONSA-N	1	0	361.490	1.121	20	30		FDEDRO
COC(=O)[C@@H]1CN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC[N@H+](C)C1	ZINC000413899946	785723393	/nfs/dbraw/zinc/72/33/93/785723393.db2.gz	YTBFKQHECAAOTJ-KRWDZBQOSA-N	1	0	357.454	1.690	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCn1cncn1	ZINC001024701143	785779230	/nfs/dbraw/zinc/77/92/30/785779230.db2.gz	LBGSWHDGGYBCPD-BZSNNMDCSA-N	1	0	361.490	1.620	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)COc3ccc(OC)cc3)[C@H]2C1	ZINC001083272689	786568171	/nfs/dbraw/zinc/56/81/71/786568171.db2.gz	BAMKFLMSVVCSBZ-RBUKOAKNSA-N	1	0	360.454	1.952	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCn3nc(C)cc3C)C[C@H]21	ZINC000978734166	805724275	/nfs/dbraw/zinc/72/42/75/805724275.db2.gz	SPRCBJLIKFACAE-QQXKLLMISA-N	1	0	358.486	1.385	20	30		FDEDRO
N#Cc1ccccc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@@H]2C1	ZINC000978756367	805733678	/nfs/dbraw/zinc/73/36/78/805733678.db2.gz	JZFGATBEWDSMQT-YRYYUTHUSA-N	1	0	351.450	1.920	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2cn(CC)nn2)C[C@H]1c1ccccc1	ZINC001211640101	787355313	/nfs/dbraw/zinc/35/53/13/787355313.db2.gz	NNKUCUKSNXHZEY-RBUKOAKNSA-N	1	0	351.454	1.448	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)NC(=O)NCC)C[C@H]1c1ccccc1	ZINC001211684303	805807582	/nfs/dbraw/zinc/80/75/82/805807582.db2.gz	RANPGRUILCGNCT-ZWKOTPCHSA-N	1	0	370.497	1.692	20	30		FDEDRO
CC1(C)CN(CCNC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)CCO1	ZINC000892606099	787644778	/nfs/dbraw/zinc/64/47/78/787644778.db2.gz	XZFUDDCCZLMFNJ-SFHVURJKSA-N	1	0	372.469	1.752	20	30		FDEDRO
C=C(Br)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1C	ZINC001104553976	787768590	/nfs/dbraw/zinc/76/85/90/787768590.db2.gz	KXPWUDDBGBUIMB-OLOXDWRXSA-N	1	0	357.292	1.862	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3nc(C)c(Cl)c3C)[C@H]2C1	ZINC001083277624	787780626	/nfs/dbraw/zinc/78/06/26/787780626.db2.gz	MDHLBLSSMWWTCA-LSDHHAIUSA-N	1	0	352.866	1.641	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1	ZINC001104557728	787832724	/nfs/dbraw/zinc/83/27/24/787832724.db2.gz	TXXINCGILPVMGT-LZQZEXGQSA-N	1	0	368.481	1.611	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2C(=O)CNC2=O)C1	ZINC001104563214	787921062	/nfs/dbraw/zinc/92/10/62/787921062.db2.gz	KCXXRZUAEXKNEY-BZUAXINKSA-N	1	0	364.490	1.215	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1	ZINC000978871201	805835652	/nfs/dbraw/zinc/83/56/52/805835652.db2.gz	RKXGCBJNEQJCHH-ILOCAZANSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1c1ccccc1	ZINC001211642438	788028855	/nfs/dbraw/zinc/02/88/55/788028855.db2.gz	DBPAXJUNBSYXRO-ZWKOTPCHSA-N	1	0	369.469	1.132	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000376496219	788064036	/nfs/dbraw/zinc/06/40/36/788064036.db2.gz	VNNCSZYOSLBEPM-RLLQIKCJSA-N	1	0	370.497	1.853	20	30		FDEDRO
N#Cc1cc(CN2C[C@H]3OCCN(C(=O)Cc4ccc[nH]4)[C@H]3C2)ccc1F	ZINC001083279119	788147334	/nfs/dbraw/zinc/14/73/34/788147334.db2.gz	KEYBHMGQSOYHIF-RBUKOAKNSA-N	1	0	368.412	1.680	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1CC[NH2+]CC#Cc1ccccc1	ZINC001104572890	788180777	/nfs/dbraw/zinc/18/07/77/788180777.db2.gz	WTKLMIBWNOWVMU-MISYRCLQSA-N	1	0	367.493	1.733	20	30		FDEDRO
COC(=O)[C@H]1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC[N@H+](C)C1	ZINC000414418189	788253580	/nfs/dbraw/zinc/25/35/80/788253580.db2.gz	YVABUPUAHDGDSE-CQSZACIVSA-N	1	0	361.446	1.683	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)OC2(CC[NH+](CCO)CC2)C1	ZINC001098599537	788345336	/nfs/dbraw/zinc/34/53/36/788345336.db2.gz	FPRIXHYZKWJBKD-ZACQAIPSSA-N	1	0	352.475	1.042	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1	ZINC000973312160	788547415	/nfs/dbraw/zinc/54/74/15/788547415.db2.gz	QXXBTNWMRYGKHN-ZKXLYKBJSA-N	1	0	361.486	1.073	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1	ZINC000973325943	788614902	/nfs/dbraw/zinc/61/49/02/788614902.db2.gz	OZQQSFKETGCZFR-LFTXJNCRSA-N	1	0	358.442	1.258	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)CNC(C)=O)C[C@H]1c1ccccc1	ZINC001211687836	805913695	/nfs/dbraw/zinc/91/36/95/805913695.db2.gz	BRMACZMVRLBAIL-RBUKOAKNSA-N	1	0	355.482	1.756	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2occc2C[NH+](C)C)C1	ZINC001025344811	788868657	/nfs/dbraw/zinc/86/86/57/788868657.db2.gz	ZWKLWJFQXTWOJH-CLCXKQKWSA-N	1	0	363.458	1.245	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(CCC=C)CC2)C[C@H]1C	ZINC001104631154	789058344	/nfs/dbraw/zinc/05/83/44/789058344.db2.gz	BXGQOVXDLJTKME-FGTMMUONSA-N	1	0	359.514	1.945	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2CCC(=C)CC2)C[C@H]1C	ZINC001104631709	789059483	/nfs/dbraw/zinc/05/94/83/789059483.db2.gz	XQTPQHOJAHXDPO-ZHALLVOQSA-N	1	0	359.514	1.945	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2CCC(F)CC2)C[C@H]1C	ZINC001104632483	789060382	/nfs/dbraw/zinc/06/03/82/789060382.db2.gz	CKPLOPZTSYBXPV-KZYLPZIUSA-N	1	0	353.482	1.891	20	30		FDEDRO
COC[C@H](OC)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(C#N)s2)C1	ZINC001104647578	789160337	/nfs/dbraw/zinc/16/03/37/789160337.db2.gz	BZWIKRAEECMVES-CPUCHLNUSA-N	1	0	365.499	1.855	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000892694208	789170528	/nfs/dbraw/zinc/17/05/28/789170528.db2.gz	DLPYFPUCRGATAM-MRXNPFEDSA-N	1	0	350.507	1.832	20	30		FDEDRO
CC[C@@H](C#N)Oc1cc(CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)ccc1OC	ZINC000376605027	789183712	/nfs/dbraw/zinc/18/37/12/789183712.db2.gz	ZLKPZZHDTFSGJU-IRXDYDNUSA-N	1	0	372.469	1.382	20	30		FDEDRO
C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C[C@H]1C	ZINC001104674889	789293976	/nfs/dbraw/zinc/29/39/76/789293976.db2.gz	IMXNXPMPHNUXAJ-TVFCKZIOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2[nH]c(C)nc2C)C[C@H]1C	ZINC001104695587	789441646	/nfs/dbraw/zinc/44/16/46/789441646.db2.gz	NRIHAYWXTNBUOT-IVMMDQJWSA-N	1	0	361.490	1.405	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1	ZINC000659674185	789453229	/nfs/dbraw/zinc/45/32/29/789453229.db2.gz	QXFOFTNTUKWDBT-BZSNNMDCSA-N	1	0	363.502	1.322	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnnn2CC)C1	ZINC001104704096	789552445	/nfs/dbraw/zinc/55/24/45/789552445.db2.gz	JCHSMWXUSLQHCK-AHCXZYCDSA-N	1	0	361.490	1.463	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@H]1C	ZINC001104716273	789676300	/nfs/dbraw/zinc/67/63/00/789676300.db2.gz	SHJHOKUWBFANCB-VQIMIIECSA-N	1	0	367.493	1.225	20	30		FDEDRO
CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000422981417	814927985	/nfs/dbraw/zinc/92/79/85/814927985.db2.gz	SQJUFJHFSYHWNA-UWWQBHOKSA-N	1	0	360.433	1.549	20	30		FDEDRO
N#Cc1cccc([C@H]2CN(C(=O)C(=O)Nc3ccc(C[NH3+])cc3)CCO2)c1	ZINC000415015372	791201201	/nfs/dbraw/zinc/20/12/01/791201201.db2.gz	YNQXZEADLKORKP-GOSISDBHSA-N	1	0	364.405	1.556	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(S(C)(=O)=O)o2)C[C@H]1C	ZINC001104745288	791308093	/nfs/dbraw/zinc/30/80/93/791308093.db2.gz	JSCHFBRIAQWUCG-ZIAGYGMSSA-N	1	0	354.472	1.947	20	30		FDEDRO
CC1CCC([NH+]2CCC(N(C)C(=O)NCCn3cnc(C#N)n3)CC2)CC1	ZINC000377227226	791315096	/nfs/dbraw/zinc/31/50/96/791315096.db2.gz	YPJRVXFAALGUNO-UHFFFAOYSA-N	1	0	373.505	1.834	20	30		FDEDRO
C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)NCCn1cnc(C#N)n1	ZINC000377249736	791353603	/nfs/dbraw/zinc/35/36/03/791353603.db2.gz	NULALFRUMKHDEF-INIZCTEOSA-N	1	0	367.457	1.456	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2csc3cncn32)C[C@H]1C	ZINC001104745740	791359825	/nfs/dbraw/zinc/35/98/25/791359825.db2.gz	UZCRDPMRMDGZCQ-HUUCEWRRSA-N	1	0	360.483	1.733	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cnc4onc(CC)c4c3)[C@H]2C1	ZINC001083284892	791633373	/nfs/dbraw/zinc/63/33/73/791633373.db2.gz	VQKMNLHAHLGEPK-DLBZAZTESA-N	1	0	356.426	1.887	20	30		FDEDRO
C=CC(C)(C)CNC(=O)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1	ZINC000415265126	791806622	/nfs/dbraw/zinc/80/66/22/791806622.db2.gz	PKRPWDCDYPEHJG-UHFFFAOYSA-N	1	0	374.485	1.238	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1	ZINC001025690856	791834573	/nfs/dbraw/zinc/83/45/73/791834573.db2.gz	NCKQQPTVHQXFIF-HUUCEWRRSA-N	1	0	351.491	1.009	20	30		FDEDRO
C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N	ZINC000415414632	792221642	/nfs/dbraw/zinc/22/16/42/792221642.db2.gz	KAJIGWQFZDHKKF-CYBMUJFWSA-N	1	0	367.409	1.656	20	30		FDEDRO
CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000415445698	792278958	/nfs/dbraw/zinc/27/89/58/792278958.db2.gz	GYGIZWXQAKPCKD-SFHVURJKSA-N	1	0	350.422	1.519	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4c(C)noc4C)[C@@H]3C2)C1=O	ZINC001075536222	792341866	/nfs/dbraw/zinc/34/18/66/792341866.db2.gz	SLTCCBZDHXJPDO-HRCADAONSA-N	1	0	358.442	1.225	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO	ZINC000893000878	792412472	/nfs/dbraw/zinc/41/24/72/792412472.db2.gz	JSOYLRLBRFHHKY-QZTJIDSGSA-N	1	0	357.454	1.439	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N(CC[NH3+])CCc2ccccc2)c1C#N	ZINC000415685787	792809250	/nfs/dbraw/zinc/80/92/50/792809250.db2.gz	CHYJTFNCRIAAIA-UHFFFAOYSA-N	1	0	350.422	1.835	20	30		FDEDRO
COC[C@@]1(CNC(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)CCC[NH2+]1	ZINC000415707972	792846408	/nfs/dbraw/zinc/84/64/08/792846408.db2.gz	NBKNOGCWBWBSSZ-IBGZPJMESA-N	1	0	374.441	1.169	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1	ZINC000415727872	792888197	/nfs/dbraw/zinc/88/81/97/792888197.db2.gz	RDVJMWILJDVMDC-HXUWFJFHSA-N	1	0	370.453	1.910	20	30		FDEDRO
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H]2C)c1C	ZINC000415746413	792920182	/nfs/dbraw/zinc/92/01/82/792920182.db2.gz	OUMJGIXSWLHBLF-BBRMVZONSA-N	1	0	366.425	1.247	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1C#N	ZINC000415810095	793037141	/nfs/dbraw/zinc/03/71/41/793037141.db2.gz	NROGIXHUWAJTLD-DZGCQCFKSA-N	1	0	358.442	1.918	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1	ZINC000979325988	806237382	/nfs/dbraw/zinc/23/73/82/806237382.db2.gz	UVFWUVLWVSRZDE-TWMKSMIVSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccn(CC)n2)C[C@H]1C	ZINC001104754961	793420665	/nfs/dbraw/zinc/42/06/65/793420665.db2.gz	LRKSSFQGJSDZQY-BZUAXINKSA-N	1	0	361.490	1.282	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)C[C@H]1CC[NH2+]CC#Cc1ccccc1	ZINC001104786288	793654380	/nfs/dbraw/zinc/65/43/80/793654380.db2.gz	OUHQDOPBCKDOKE-MISYRCLQSA-N	1	0	367.493	1.781	20	30		FDEDRO
CCc1cc(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC#CCOC)C2)[nH]n1	ZINC001112050041	793660742	/nfs/dbraw/zinc/66/07/42/793660742.db2.gz	OKUCYEPVFPJXRJ-TZMCWYRMSA-N	1	0	358.364	1.214	20	30		FDEDRO
CNC(=O)C1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ccccc3C#N)C2)CC1	ZINC001104790407	793700672	/nfs/dbraw/zinc/70/06/72/793700672.db2.gz	SBCVJZFXWCFPEP-CRAIPNDOSA-N	1	0	368.481	1.659	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(C[NH+]2CCC([C@]3(C)NC(=O)NC3=O)CC2)cc1	ZINC000378337853	793968167	/nfs/dbraw/zinc/96/81/67/793968167.db2.gz	BDOIYYMZPVLRNK-DJJJIMSYSA-N	1	0	356.426	1.788	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnc(COC)s3)[C@H]2C1	ZINC001083292545	794023262	/nfs/dbraw/zinc/02/32/62/794023262.db2.gz	KTJKUICRVZBHBK-UONOGXRCSA-N	1	0	351.472	1.781	20	30		FDEDRO
C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)CCCC(=O)Nc1ccccc1C#N	ZINC000416317582	794026540	/nfs/dbraw/zinc/02/65/40/794026540.db2.gz	XAWUEJHZACVYKM-HZPDHXFCSA-N	1	0	372.469	1.581	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@]2(C)CCN(C(C)=O)C2)C[C@H]1C	ZINC001104881511	794200899	/nfs/dbraw/zinc/20/08/99/794200899.db2.gz	FICGIPQJDHGGDR-POAQFYNOSA-N	1	0	365.518	1.522	20	30		FDEDRO
CC(C)c1nnnn1CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000378484625	794206000	/nfs/dbraw/zinc/20/60/00/794206000.db2.gz	WGQALRMKIKVWKX-UHFFFAOYSA-N	1	0	367.457	1.471	20	30		FDEDRO
[NH3+]CC1(CCNC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1	ZINC000652634684	806313157	/nfs/dbraw/zinc/31/31/57/806313157.db2.gz	OJKRJFUDVGRWEE-UHFFFAOYSA-N	1	0	362.433	1.665	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCN(C(=O)c3cccnc3)C2)CC1	ZINC000363858168	794286538	/nfs/dbraw/zinc/28/65/38/794286538.db2.gz	UPBGAOQUPOJZES-SFHVURJKSA-N	1	0	371.485	1.636	20	30		FDEDRO
CCCc1occc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104901596	794307122	/nfs/dbraw/zinc/30/71/22/794307122.db2.gz	HPJVCGWUTIOBQF-HUUCEWRRSA-N	1	0	360.458	1.560	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2oc(CC)cc2C)C[C@H]1C	ZINC001104911048	794366214	/nfs/dbraw/zinc/36/62/14/794366214.db2.gz	WSNXVZSCZWJOLG-HZPDHXFCSA-N	1	0	359.470	1.588	20	30		FDEDRO
C[C@@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1)n1cccc1	ZINC001104927112	794426714	/nfs/dbraw/zinc/42/67/14/794426714.db2.gz	RTAFMSRXSMESBY-IXDOHACOSA-N	1	0	359.474	1.153	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2sccc2OC)C[C@H]1C	ZINC001104936183	794469361	/nfs/dbraw/zinc/46/93/61/794469361.db2.gz	IBELJTBBZPDXDO-ZIAGYGMSSA-N	1	0	363.483	1.194	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CCCCC(=O)N2)C[C@H]1C	ZINC001104954524	794551494	/nfs/dbraw/zinc/55/14/94/794551494.db2.gz	GMSURITUEMVHPS-KZNAEPCWSA-N	1	0	365.518	1.712	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2Cc3cccnc3C2)C[C@H]1C	ZINC001104957668	794567749	/nfs/dbraw/zinc/56/77/49/794567749.db2.gz	KJVRDIIQSGAJAK-QRQLOZEOSA-N	1	0	355.482	1.520	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCN(C(C)=O)C2)C[C@H]1C	ZINC001104960564	794597008	/nfs/dbraw/zinc/59/70/08/794597008.db2.gz	YVAUVZVVKYCCGK-NXHRZFHOSA-N	1	0	351.491	1.132	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C(F)F)o2)C[C@H]1C	ZINC001104962511	794603433	/nfs/dbraw/zinc/60/34/33/794603433.db2.gz	CANZPOKLUQCLEN-CHWSQXEVSA-N	1	0	367.396	1.654	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)Cc2cccc(OC)c2)C[C@H]1C	ZINC001104974594	794686115	/nfs/dbraw/zinc/68/61/15/794686115.db2.gz	FXQGNZBXOZKOMY-IEBWSBKVSA-N	1	0	358.482	1.962	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)c2ccccc2)C[C@H]1C	ZINC001104978594	794719445	/nfs/dbraw/zinc/71/94/45/794719445.db2.gz	BXQZMQVBIVDTOJ-ZHALLVOQSA-N	1	0	355.482	1.902	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H](N[C@@H](C)c2nnc(C)[nH]2)C1	ZINC001112069661	794729710	/nfs/dbraw/zinc/72/97/10/794729710.db2.gz	IAJKTHNFTMATDD-MVWJERBFSA-N	1	0	361.368	1.356	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1	ZINC001104986401	794741565	/nfs/dbraw/zinc/74/15/65/794741565.db2.gz	FIHAMMTYOCDASI-CRAIPNDOSA-N	1	0	352.442	1.424	20	30		FDEDRO
Cc1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)sc1C	ZINC001104988820	794749343	/nfs/dbraw/zinc/74/93/43/794749343.db2.gz	JYWBQPZOHNEHKX-UKRRQHHQSA-N	1	0	362.499	1.693	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H]2CCCOC2)C1	ZINC001112070022	794757958	/nfs/dbraw/zinc/75/79/58/794757958.db2.gz	XGUOUEGMLBYTDA-MGPQQGTHSA-N	1	0	350.381	1.595	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CN(C)c3ccncc3C#N)C2)CC[N@@H+]1C	ZINC001058708284	794759186	/nfs/dbraw/zinc/75/91/86/794759186.db2.gz	HEQDCQFYJJEJFT-SOLBZPMBSA-N	1	0	355.486	1.968	20	30		FDEDRO
C=C[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1)c1ccccc1	ZINC001105050209	795065883	/nfs/dbraw/zinc/06/58/83/795065883.db2.gz	LYKXBBOEYNIEGG-BHIYHBOVSA-N	1	0	368.481	1.670	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3nnc(C)n3C2)C[C@H]1C	ZINC001105053556	795072741	/nfs/dbraw/zinc/07/27/41/795072741.db2.gz	SIIJZVYZQGAYFM-WQVCFCJDSA-N	1	0	365.909	1.976	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[NH2+][C@H](C(C)C)C2)c1	ZINC000660189305	795139243	/nfs/dbraw/zinc/13/92/43/795139243.db2.gz	YZPJMBMSGBSYBO-INIZCTEOSA-N	1	0	351.472	1.221	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H](C)OC)C1	ZINC001112079604	795233621	/nfs/dbraw/zinc/23/36/21/795233621.db2.gz	PSLHRAXEJZQLHF-BFHYXJOUSA-N	1	0	352.397	1.983	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(CC)C2CC2)C1	ZINC001105090726	795237244	/nfs/dbraw/zinc/23/72/44/795237244.db2.gz	HYWOXYALXWVHAQ-IXDOHACOSA-N	1	0	365.518	1.663	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000418017540	795457667	/nfs/dbraw/zinc/45/76/67/795457667.db2.gz	YJCVUIXGPKMSHD-QGTPRVQTSA-N	1	0	369.469	1.965	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H](C)C(=O)NC)C1	ZINC001211655314	795573124	/nfs/dbraw/zinc/57/31/24/795573124.db2.gz	HAGMTXFOLVILQL-YTQUADARSA-N	1	0	355.482	1.899	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCc3nn(CC)c(=O)cc3C2)CC1	ZINC000364274809	795577430	/nfs/dbraw/zinc/57/74/30/795577430.db2.gz	YGDZTYUDGCYDTI-UHFFFAOYSA-N	1	0	359.474	1.371	20	30		FDEDRO
C=CCOc1ccc(CNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cc1	ZINC000418159817	795590365	/nfs/dbraw/zinc/59/03/65/795590365.db2.gz	CPYAGOCGNOMZGC-KRWDZBQOSA-N	1	0	374.485	1.781	20	30		FDEDRO
Cc1cc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)ccn1	ZINC000500303568	795817225	/nfs/dbraw/zinc/81/72/25/795817225.db2.gz	OCPCVCYWJVQYSO-MRXNPFEDSA-N	1	0	363.377	1.527	20	30		FDEDRO
N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)N[C@@H](C[NH3+])C1CC1	ZINC000418400699	795868329	/nfs/dbraw/zinc/86/83/29/795868329.db2.gz	MRKDNHMWKMJAQZ-KRWDZBQOSA-N	1	0	367.457	1.295	20	30		FDEDRO
CC(C)C[C@H](C[NH3+])NC(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000418420676	795890568	/nfs/dbraw/zinc/89/05/68/795890568.db2.gz	ACGZKDBUFUFASC-KSMMKXTCSA-N	1	0	355.442	1.415	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO[C@@H]2CC2(F)F)C1	ZINC001112098591	795936323	/nfs/dbraw/zinc/93/63/23/795936323.db2.gz	MOLCDKGACGOMSV-JHJVBQTASA-N	1	0	366.330	1.803	20	30		FDEDRO
CCCC[C@H](C[NH3+])NC(=O)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000418461774	795947104	/nfs/dbraw/zinc/94/71/04/795947104.db2.gz	JMIVFLMEENLERM-PJIJBLCYSA-N	1	0	355.442	1.559	20	30		FDEDRO
C[C@H](ONC(N)=C1C(=[NH2+])C2(CCCC2)N(C)C1=O)c1cccc(C#N)c1	ZINC000194627481	796000640	/nfs/dbraw/zinc/00/06/40/796000640.db2.gz	CTFPSMWXKBMTOE-LBPRGKRZSA-N	1	0	353.426	1.906	20	30		FDEDRO
C#CCN1CCN(C(=O)CN2CC[N@H+](Cc3ccccc3)[C@H](CC)C2)CC1	ZINC000759892342	796060772	/nfs/dbraw/zinc/06/07/72/796060772.db2.gz	XWUUYDUVDUYTDA-OAQYLSRUSA-N	1	0	368.525	1.360	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)C2	ZINC001112530420	806579576	/nfs/dbraw/zinc/57/95/76/806579576.db2.gz	UBRLNFZEENCJEU-YLAKUSLOSA-N	1	0	363.502	1.309	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC000980083532	806742633	/nfs/dbraw/zinc/74/26/33/806742633.db2.gz	CKUOFBKIUVGFOQ-DTTOXWODSA-N	1	0	354.454	1.028	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)C[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)cn1	ZINC000974578787	799837512	/nfs/dbraw/zinc/83/75/12/799837512.db2.gz	CDWSTTSJNUMMOH-SZVBFZGTSA-N	1	0	366.465	1.078	20	30		FDEDRO
N#CCOc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@]34C[C@H]3COC4)C2)cc1	ZINC001026854291	800031865	/nfs/dbraw/zinc/03/18/65/800031865.db2.gz	FSAQRSLXCMFIRG-ZWOKBUDYSA-N	1	0	355.438	1.564	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CC1(C)C	ZINC000974689609	800090938	/nfs/dbraw/zinc/09/09/38/800090938.db2.gz	FOCYQLKZNGVKAK-QGTPRVQTSA-N	1	0	357.454	1.689	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C(C)C)CCO2)C[C@H]1c1ccccc1	ZINC001211659323	800096480	/nfs/dbraw/zinc/09/64/80/800096480.db2.gz	JXJBOCIQUHTIML-PWRODBHTSA-N	1	0	369.509	1.703	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC001026894700	800130362	/nfs/dbraw/zinc/13/03/62/800130362.db2.gz	MDHYRCUUUTUIHG-JOQOYGCGSA-N	1	0	361.417	1.439	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)c4cocc4C)[C@@H]3C2)CC1	ZINC000974812522	800344988	/nfs/dbraw/zinc/34/49/88/800344988.db2.gz	NOTPAUCDAQKWCN-IEBWSBKVSA-N	1	0	369.465	1.606	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCC(=O)Nc2ccc(-n3cccn3)cc2)CCC[NH2+]1	ZINC000662561608	806840464	/nfs/dbraw/zinc/84/04/64/806840464.db2.gz	SJDHNQPRODUBBC-IBGZPJMESA-N	1	0	353.426	1.625	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3CCN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)c1	ZINC000975064796	800813262	/nfs/dbraw/zinc/81/32/62/800813262.db2.gz	HIOLOYMVXYGNIX-IEBWSBKVSA-N	1	0	366.465	1.078	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cn(C)nc2C(F)F)C1	ZINC001027074630	800885740	/nfs/dbraw/zinc/88/57/40/800885740.db2.gz	CRBGCGZJNUAFKH-CFVMTHIKSA-N	1	0	368.428	1.887	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCc3ccc(S(=O)(=O)N(C)C)cc32)CCC[NH2+]1	ZINC000662602123	806870842	/nfs/dbraw/zinc/87/08/42/806870842.db2.gz	PIUVYJJLPOMPOK-SFHVURJKSA-N	1	0	363.483	1.524	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1	ZINC000975206319	800996993	/nfs/dbraw/zinc/99/69/93/800996993.db2.gz	KFCRPWQUCLCTOX-YQVWRLOYSA-N	1	0	370.497	1.831	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnnn2CCC)C1	ZINC001027116874	801012808	/nfs/dbraw/zinc/01/28/08/801012808.db2.gz	KZYFDDTUXMZXHM-VYDXJSESSA-N	1	0	362.478	1.002	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1	ZINC000975219451	801018794	/nfs/dbraw/zinc/01/87/94/801018794.db2.gz	ZBKNNQYKUVOROC-ATZDWAIDSA-N	1	0	368.481	1.623	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000975311382	801159806	/nfs/dbraw/zinc/15/98/06/801159806.db2.gz	SHSWJZQKXHJEFX-IJEWVQPXSA-N	1	0	357.458	1.195	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCN(C(=O)[C@]34C[C@H]3CCC4)C2)CC1	ZINC000975334267	801189763	/nfs/dbraw/zinc/18/97/63/801189763.db2.gz	UIEYROJWPDJQJY-SFGWALBWSA-N	1	0	371.525	1.877	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)CCC[NH2+]1	ZINC000662667819	806941374	/nfs/dbraw/zinc/94/13/74/806941374.db2.gz	YXYDPDXMXFEZQE-HXUWFJFHSA-N	1	0	374.460	1.607	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)C4=CCCC4)C[C@@H]32)CC1	ZINC000975659511	801868110	/nfs/dbraw/zinc/86/81/10/801868110.db2.gz	OGBMPGIKKGZWPA-PXNSSMCTSA-N	1	0	369.509	1.891	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000660866131	801874748	/nfs/dbraw/zinc/87/47/48/801874748.db2.gz	WOEBGSBHLCPHRE-CEXWTWQISA-N	1	0	364.534	1.827	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]32)C1	ZINC000975665128	801883947	/nfs/dbraw/zinc/88/39/47/801883947.db2.gz	OEDUINCHCQCYNR-MPGHIAIKSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCc2cccc(OCCN3CCOCC3)c2)CCC[NH2+]1	ZINC000662697521	806969082	/nfs/dbraw/zinc/96/90/82/806969082.db2.gz	FYJGKBXTSPHWFI-NRFANRHFSA-N	1	0	373.497	1.712	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21	ZINC000975755380	802271052	/nfs/dbraw/zinc/27/10/52/802271052.db2.gz	XNDLTERUMWUIQK-OALUTQOASA-N	1	0	357.498	1.725	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21	ZINC000975819897	802514734	/nfs/dbraw/zinc/51/47/34/802514734.db2.gz	SBRFHNMCJKLURH-ROUUACIJSA-N	1	0	355.482	1.478	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1	ZINC000975854808	802580760	/nfs/dbraw/zinc/58/07/60/802580760.db2.gz	DONGSKONYPRYGK-BBWFWOEESA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCCC=C)C[C@H]1c1ccccc1	ZINC001211663981	802689789	/nfs/dbraw/zinc/68/97/89/802689789.db2.gz	KEVCCVDJOACGQG-RBUKOAKNSA-N	1	0	353.466	1.676	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@H]3C2)C1	ZINC000976025652	802863851	/nfs/dbraw/zinc/86/38/51/802863851.db2.gz	RRHWCNNRRFXDER-VKJFTORMSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=CC[C@]1(C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)CCC[NH2+]1	ZINC000662716896	802871347	/nfs/dbraw/zinc/87/13/47/802871347.db2.gz	JNECHXULMOIVIT-HXUWFJFHSA-N	1	0	371.485	1.098	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)CCC[NH2+]1	ZINC000662788330	803257810	/nfs/dbraw/zinc/25/78/10/803257810.db2.gz	IYKDSGWHUKAZQN-FQEVSTJZSA-N	1	0	353.470	1.905	20	30		FDEDRO
C=CCn1cc(CNC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)nn1	ZINC000661338429	803299666	/nfs/dbraw/zinc/29/96/66/803299666.db2.gz	JICIETGTDWRAAX-UHFFFAOYSA-N	1	0	369.473	1.571	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)C1	ZINC000976539984	803492309	/nfs/dbraw/zinc/49/23/09/803492309.db2.gz	VDSCGZGGVOCETJ-NUEKZKHPSA-N	1	0	357.458	1.385	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1	ZINC000423079506	814955471	/nfs/dbraw/zinc/95/54/71/814955471.db2.gz	AIFILDZATQDPAB-SFHVURJKSA-N	1	0	354.454	1.507	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1	ZINC000423082379	814956977	/nfs/dbraw/zinc/95/69/77/814956977.db2.gz	FAVWJKCNVAFVOZ-SFHVURJKSA-N	1	0	354.454	1.507	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1	ZINC000423129260	814967934	/nfs/dbraw/zinc/96/79/34/814967934.db2.gz	QYODVNCEYZDFSF-ROUUACIJSA-N	1	0	354.454	1.365	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1	ZINC000423129259	814968050	/nfs/dbraw/zinc/96/80/50/814968050.db2.gz	QYODVNCEYZDFSF-QZTJIDSGSA-N	1	0	354.454	1.365	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC(C)(F)F)C[C@H]1c1ccccc1	ZINC001211669066	803939510	/nfs/dbraw/zinc/93/95/10/803939510.db2.gz	HOUADOKRRIZWDS-JKSUJKDBSA-N	1	0	363.408	1.365	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1	ZINC000423194239	814997320	/nfs/dbraw/zinc/99/73/20/814997320.db2.gz	YQFFDRKFMSWIBJ-QAPCUYQASA-N	1	0	354.454	1.516	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](C(=O)OC(C)(C)C)c2ccnn2C)CC1	ZINC000843730004	815016347	/nfs/dbraw/zinc/01/63/47/815016347.db2.gz	UASMZMHNVPUSPU-INIZCTEOSA-N	1	0	360.458	1.264	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@H]1C	ZINC000977195952	804527229	/nfs/dbraw/zinc/52/72/29/804527229.db2.gz	JQOCNWZEVUQRCT-KQHFAPEESA-N	1	0	361.486	1.025	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1	ZINC000662960550	804736964	/nfs/dbraw/zinc/73/69/64/804736964.db2.gz	SBVHPTBCVOOEIN-JCGIZDLHSA-N	1	0	359.445	1.894	20	30		FDEDRO
Cc1cc(NC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C)c(C#N)cn1	ZINC001126131032	804788509	/nfs/dbraw/zinc/78/85/09/804788509.db2.gz	WYZHNCBFQHYLEX-QGPMSJSTSA-N	1	0	357.502	1.967	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)C1([NH+](C)C)CCC1	ZINC000977797648	804954165	/nfs/dbraw/zinc/95/41/65/804954165.db2.gz	UEUVRPLDEMWFSF-BBWFWOEESA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C)CC1	ZINC000977943988	805082952	/nfs/dbraw/zinc/08/29/52/805082952.db2.gz	IMFMIVVMTFIHIP-KURKYZTESA-N	1	0	363.502	1.369	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1c1ccccc1	ZINC001211678271	805312524	/nfs/dbraw/zinc/31/25/24/805312524.db2.gz	MHEZLWYMYLGLPG-ADAARDCZSA-N	1	0	368.477	1.788	20	30		FDEDRO
CCC[C@H]1CN(C(=O)NCC(=O)NCC#N)CC[N@@H+]1Cc1ccccc1	ZINC000511919766	805369759	/nfs/dbraw/zinc/36/97/59/805369759.db2.gz	AKGPBXGANOJGCN-KRWDZBQOSA-N	1	0	357.458	1.322	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1ccn2c[nH+]cc2c1	ZINC000978422357	805453509	/nfs/dbraw/zinc/45/35/09/805453509.db2.gz	SSTKIUJLLCHZRC-NXHRZFHOSA-N	1	0	368.437	1.598	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cn1	ZINC001143528054	807160153	/nfs/dbraw/zinc/16/01/53/807160153.db2.gz	CJIKETDGTNXCNH-UHFFFAOYSA-N	1	0	364.453	1.809	20	30		FDEDRO
CC1(C)CN(C(=O)C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC[NH2+]1	ZINC000423528505	815101304	/nfs/dbraw/zinc/10/13/04/815101304.db2.gz	OLBUYCSGSOFVDX-IRXDYDNUSA-N	1	0	354.454	1.495	20	30		FDEDRO
C[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1	ZINC000423519733	815109906	/nfs/dbraw/zinc/10/99/06/815109906.db2.gz	DNFIWIWRNWVWGH-ZWKOTPCHSA-N	1	0	354.454	1.495	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000981111547	807569768	/nfs/dbraw/zinc/56/97/68/807569768.db2.gz	RUGANMVGWXPGPW-JXSMBQFASA-N	1	0	371.485	1.631	20	30		FDEDRO
C=C(C)C[NH+]1CCC(Nc2noc3ccc(S(N)(=O)=O)cc32)CC1	ZINC000663568182	807682134	/nfs/dbraw/zinc/68/21/34/807682134.db2.gz	RHDZBSUGMQGPGN-UHFFFAOYSA-N	1	0	350.444	1.928	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1	ZINC000981194533	807700004	/nfs/dbraw/zinc/70/00/04/807700004.db2.gz	GKGQTURSAUSUEC-YXJHDRRASA-N	1	0	371.485	1.775	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1	ZINC000981340768	807917259	/nfs/dbraw/zinc/91/72/59/807917259.db2.gz	VURJHMZRVWSZKV-LESCRADOSA-N	1	0	371.485	1.774	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1	ZINC000981380564	807964169	/nfs/dbraw/zinc/96/41/69/807964169.db2.gz	JSIATBQJSABIPQ-LZLYRXPVSA-N	1	0	354.454	1.029	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1	ZINC000981456641	808057780	/nfs/dbraw/zinc/05/77/80/808057780.db2.gz	SEMDWQRIPKLEMM-MLHJIOFPSA-N	1	0	363.502	1.465	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)C=C3CCC3)C2)CC1	ZINC000981544048	808114460	/nfs/dbraw/zinc/11/44/60/808114460.db2.gz	BUBGJNAXOIBHCZ-PKOBYXMFSA-N	1	0	357.498	1.843	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3cc[nH]c3)C2)CC1	ZINC000981544295	808114911	/nfs/dbraw/zinc/11/49/11/808114911.db2.gz	HJDFJRLSNDAYSA-MAUKXSAKSA-N	1	0	356.470	1.375	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1	ZINC000981582794	808182953	/nfs/dbraw/zinc/18/29/53/808182953.db2.gz	JFWRECJIJQNCCW-GVDBMIGSSA-N	1	0	358.486	1.641	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCOC4)[C@@H]3C2)cc1C#N	ZINC001075600618	808512024	/nfs/dbraw/zinc/51/20/24/808512024.db2.gz	ZWOXZJZQFGDZMV-XYJFISCASA-N	1	0	355.438	1.636	20	30		FDEDRO
C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCO[C@H]3c3cnn(C)c3)C2)C1	ZINC000981821091	808557470	/nfs/dbraw/zinc/55/74/70/808557470.db2.gz	YTCRAUDYWBLVDV-MOPGFXCFSA-N	1	0	370.497	1.836	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)NCCCC[NH+]2CCN(CC)CC2)n1	ZINC000279182494	808570726	/nfs/dbraw/zinc/57/07/26/808570726.db2.gz	HAUALLVUPAHWHL-UHFFFAOYSA-N	1	0	374.533	1.466	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001028138831	808613209	/nfs/dbraw/zinc/61/32/09/808613209.db2.gz	CGDHFUXAZJJTDC-OKZBNKHCSA-N	1	0	354.454	1.363	20	30		FDEDRO
N#CCOc1ccc(CN2C[C@@H](NC(=O)Cc3ccsc3)[C@@H](O)C2)cc1	ZINC001083320825	808620631	/nfs/dbraw/zinc/62/06/31/808620631.db2.gz	FXYNEWFWZJMVOO-MSOLQXFVSA-N	1	0	371.462	1.554	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1	ZINC001028142626	808652444	/nfs/dbraw/zinc/65/24/44/808652444.db2.gz	PYKJOEADZKXYIP-KURKYZTESA-N	1	0	357.454	1.457	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1	ZINC001087435731	808814912	/nfs/dbraw/zinc/81/49/12/808814912.db2.gz	DKJRPZLQJPSWNP-KZNAEPCWSA-N	1	0	356.470	1.608	20	30		FDEDRO
C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC001028193234	808956290	/nfs/dbraw/zinc/95/62/90/808956290.db2.gz	RKSFKSLNHKMKEC-ZIFCJYIRSA-N	1	0	356.470	1.758	20	30		FDEDRO
C[N@@H+](CC(=O)NC1(C#N)CCCCC1)C[C@@H]1C[C@H](F)CN1c1ccncn1	ZINC000279457233	809002428	/nfs/dbraw/zinc/00/24/28/809002428.db2.gz	ZVWJQZVQYCIGEP-HOTGVXAUSA-N	1	0	374.464	1.668	20	30		FDEDRO
CC[C@@H](CO)[NH+]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1	ZINC000279476702	809016274	/nfs/dbraw/zinc/01/62/74/809016274.db2.gz	WGPWUFFLYKOQCV-IBGZPJMESA-N	1	0	368.485	1.747	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCC3(CN(C(=O)[C@H]4C[C@H]4C(N)=O)C3)C2)s1	ZINC000982015689	809032370	/nfs/dbraw/zinc/03/23/70/809032370.db2.gz	UONIWZHUEOEQRF-CABCVRRESA-N	1	0	358.467	1.166	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CCO)CC[C@@H]2c2ccccc2)nn1	ZINC001087439421	809086618	/nfs/dbraw/zinc/08/66/18/809086618.db2.gz	WZRPIMQZFMRTTI-IAGOWNOFSA-N	1	0	355.442	1.044	20	30		FDEDRO
C[NH+]=C(NCC#Cc1ccc(C(F)(F)F)cc1)NCCN1CCOCC1	ZINC000178589189	809090397	/nfs/dbraw/zinc/09/03/97/809090397.db2.gz	YFXHTFBWHAJVQP-UHFFFAOYSA-N	1	0	368.403	1.554	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C(C)=O)CCO2)C[C@H]1c1ccccc1	ZINC001211715518	809141828	/nfs/dbraw/zinc/14/18/28/809141828.db2.gz	ASAAIMJEWXYPHS-XUVXKRRUSA-N	1	0	371.481	1.394	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000418708081	809147591	/nfs/dbraw/zinc/14/75/91/809147591.db2.gz	UCIOLXDBLBKNHH-VXGBXAGGSA-N	1	0	358.402	1.374	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CNC(=O)c2ccco2)C[C@H]1c1ccccc1	ZINC001211718251	809214726	/nfs/dbraw/zinc/21/47/26/809214726.db2.gz	GURUMKYSVNPKDN-DLBZAZTESA-N	1	0	351.406	1.227	20	30		FDEDRO
C=CCN(C(=O)NCc1cccnc1N1CC[NH+](C)CC1)[C@@H](C)COC	ZINC000663828915	809314910	/nfs/dbraw/zinc/31/49/10/809314910.db2.gz	BCEYNFQDZXAOIR-INIZCTEOSA-N	1	0	361.490	1.566	20	30		FDEDRO
CCCN(C(=O)C(=O)NCCSCc1ccccc1C#N)[C@@H]1CC[NH2+]C1	ZINC000418927727	809321468	/nfs/dbraw/zinc/32/14/68/809321468.db2.gz	TUZIRPYQMYXJJN-QGZVFWFLSA-N	1	0	374.510	1.508	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)C(C)C)C[C@H]1c1ccccc1	ZINC001211724044	809338017	/nfs/dbraw/zinc/33/80/17/809338017.db2.gz	JJWAEKZLNUKSGX-ZWKOTPCHSA-N	1	0	364.511	1.970	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N2CCCC2=O)C[C@H]1c1ccccc1	ZINC001211724139	809340258	/nfs/dbraw/zinc/34/02/58/809340258.db2.gz	OKYWGFXYGYRBPS-XUVXKRRUSA-N	1	0	367.493	1.995	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C[C@@]2(C)C1	ZINC000982376386	809430955	/nfs/dbraw/zinc/43/09/55/809430955.db2.gz	JACJHNOOEMUAFJ-GJJHYRHESA-N	1	0	363.502	1.546	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H](C)C[NH2+]1	ZINC000419107151	809564668	/nfs/dbraw/zinc/56/46/68/809564668.db2.gz	DVFSXROQDIJZNU-OLZOCXBDSA-N	1	0	367.371	1.382	20	30		FDEDRO
C[C@]1(C[NH3+])CCN(C(=O)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000419108862	809569361	/nfs/dbraw/zinc/56/93/61/809569361.db2.gz	GPPIHVRYJZRGST-QGZVFWFLSA-N	1	0	367.371	1.370	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NCc1cccc(NC(=O)Cn2cccn2)c1	ZINC000424099969	815307564	/nfs/dbraw/zinc/30/75/64/815307564.db2.gz	JUWZRXVHHAEHGZ-MRXNPFEDSA-N	1	0	354.414	1.159	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC(=O)N2C)C1	ZINC001087442569	809691415	/nfs/dbraw/zinc/69/14/15/809691415.db2.gz	OZQWFHUNXKNVAH-AQNXPRMDSA-N	1	0	367.493	1.995	20	30		FDEDRO
COc1ccc(CCC(=O)N2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)cc1	ZINC000424106155	815311348	/nfs/dbraw/zinc/31/13/48/815311348.db2.gz	LQNLEQIAQFVJFG-SFHVURJKSA-N	1	0	372.469	1.320	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NCCC[NH3+])c1ccc(-c2cccc(C#N)c2)cc1	ZINC000419207502	809771978	/nfs/dbraw/zinc/77/19/78/809771978.db2.gz	MTYNWFNNNGYZGF-CQSZACIVSA-N	1	0	350.422	1.867	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)CCCC)C[C@H]1c1ccccc1	ZINC001211732705	809822033	/nfs/dbraw/zinc/82/20/33/809822033.db2.gz	VXYXHXIASWHIBY-ZWKOTPCHSA-N	1	0	364.511	1.972	20	30		FDEDRO
COCCOc1ccccc1N1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1	ZINC000424170352	815322350	/nfs/dbraw/zinc/32/23/50/815322350.db2.gz	KYQDFCUVZUBDRB-INIZCTEOSA-N	1	0	360.458	1.382	20	30		FDEDRO
COc1cc2c(c(OC)c1OC)CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2	ZINC000424172652	815322837	/nfs/dbraw/zinc/32/28/37/815322837.db2.gz	NPSWLHDMTNYPLD-HNNXBMFYSA-N	1	0	361.442	1.661	20	30		FDEDRO
CCOC(=O)Cn1cc(CN(CC)C[C@@H](C)C#N)c(-c2cnn(C)c2)n1	ZINC000893994538	809847376	/nfs/dbraw/zinc/84/73/76/809847376.db2.gz	HUDYSBSNMOOIRK-AWEZNQCLSA-N	1	0	358.446	1.828	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1)C1CC1	ZINC000473438346	809886283	/nfs/dbraw/zinc/88/62/83/809886283.db2.gz	OHEQWFONKCBCIW-ZWKOTPCHSA-N	1	0	354.454	1.506	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1)C1CC1	ZINC000473438341	809886303	/nfs/dbraw/zinc/88/63/03/809886303.db2.gz	OHEQWFONKCBCIW-MSOLQXFVSA-N	1	0	354.454	1.506	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4oc(C)nc4C)[C@@H]3C2)C1=O	ZINC001075644128	810225765	/nfs/dbraw/zinc/22/57/65/810225765.db2.gz	XOSORBVUMHTIGN-HRCADAONSA-N	1	0	358.442	1.225	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1	ZINC000249135373	810225923	/nfs/dbraw/zinc/22/59/23/810225923.db2.gz	DPPNCEAEFGLVIB-KFWWJZLASA-N	1	0	358.442	1.857	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)cc1	ZINC000433383685	810490850	/nfs/dbraw/zinc/49/08/50/810490850.db2.gz	BLHGPHJHPUBQTF-OAHLLOKOSA-N	1	0	354.414	1.371	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ncn(C)n2)C1	ZINC001087464455	811199038	/nfs/dbraw/zinc/19/90/38/811199038.db2.gz	KJKUEYIELTZWQQ-IAGOWNOFSA-N	1	0	355.417	1.565	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)nc1	ZINC000729387450	811224642	/nfs/dbraw/zinc/22/46/42/811224642.db2.gz	YNKHEUWXVUPNRR-UHFFFAOYSA-N	1	0	362.477	1.953	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N1CCN(c2ncccn2)CC1	ZINC000261605368	811283957	/nfs/dbraw/zinc/28/39/57/811283957.db2.gz	DFTZTFPXGFYOBJ-GVDBMIGSSA-N	1	0	370.501	1.522	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1	ZINC000433632252	811325649	/nfs/dbraw/zinc/32/56/49/811325649.db2.gz	BCOLTNNCXNQXOW-AWEZNQCLSA-N	1	0	358.442	1.422	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCCCNC(N)=O)C[C@H]1C(F)(F)F	ZINC001112128316	811350660	/nfs/dbraw/zinc/35/06/60/811350660.db2.gz	COCRYTOCWGDKBS-CHWSQXEVSA-N	1	0	364.412	1.770	20	30		FDEDRO
Cc1nnc(CNC(=[NH+]C2CC2)N(C)Cc2ccc3c(c2)OCO3)n1C	ZINC000261996577	811363673	/nfs/dbraw/zinc/36/36/73/811363673.db2.gz	SPSBTHXJTXLZQZ-UHFFFAOYSA-N	1	0	356.430	1.592	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cccc(C(N)=O)c4)C[C@H]32)[nH]1	ZINC001075700036	815444411	/nfs/dbraw/zinc/44/44/11/815444411.db2.gz	AEEBAOAQRBWQOU-MAUKXSAKSA-N	1	0	363.421	1.332	20	30		FDEDRO
C[NH+]=C(NC[C@@H](c1ccsc1)N(C)C)N1CCN(c2ncccn2)CC1	ZINC000262567124	811495586	/nfs/dbraw/zinc/49/55/86/811495586.db2.gz	MBIHFNGCZDCFOY-INIZCTEOSA-N	1	0	373.530	1.538	20	30		FDEDRO
C[NH+]=C(NC[C@H](c1ccsc1)N(C)C)N1CCN(c2ncccn2)CC1	ZINC000262567125	811496030	/nfs/dbraw/zinc/49/60/30/811496030.db2.gz	MBIHFNGCZDCFOY-MRXNPFEDSA-N	1	0	373.530	1.538	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)O1	ZINC001028627335	811637103	/nfs/dbraw/zinc/63/71/03/811637103.db2.gz	BMROEKWNTUCMDY-GPMSIDNRSA-N	1	0	356.470	1.215	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)cc1	ZINC000333526722	811642720	/nfs/dbraw/zinc/64/27/20/811642720.db2.gz	PCMXSIMOMJXPNR-KRWDZBQOSA-N	1	0	357.454	1.678	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)C(=O)NCC[NH2+]C2CCCCCC2)cc1	ZINC000419471072	811965961	/nfs/dbraw/zinc/96/59/61/811965961.db2.gz	YZSGIZXLMRWIRR-UHFFFAOYSA-N	1	0	372.469	1.482	20	30		FDEDRO
N#CCC[C@H](NC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1)c1ccccc1	ZINC000419477252	811970402	/nfs/dbraw/zinc/97/04/02/811970402.db2.gz	RHNYMSBCHANNMH-ROUUACIJSA-N	1	0	350.422	1.964	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)c1ccc(F)c(F)c1	ZINC000419673453	812084662	/nfs/dbraw/zinc/08/46/62/812084662.db2.gz	HKQGBTSUPSYJJL-BBRMVZONSA-N	1	0	367.396	1.274	20	30		FDEDRO
C=C(C)[C@@H](NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1ccc(F)c(F)c1	ZINC000419673869	812084874	/nfs/dbraw/zinc/08/48/74/812084874.db2.gz	HYXWUCFDJVPNPZ-VQIMIIECSA-N	1	0	363.408	1.910	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1ccc(F)c(F)c1	ZINC000419673444	812084884	/nfs/dbraw/zinc/08/48/84/812084884.db2.gz	HKDAAHPHYGVIPZ-IXKJSCDLSA-N	1	0	363.408	1.894	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1	ZINC000419891841	812277819	/nfs/dbraw/zinc/27/78/19/812277819.db2.gz	NRVQCEVGEWOGHD-CRAIPNDOSA-N	1	0	356.470	1.800	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N(Cc1ccc(C#N)cc1)C1CC1)[C@@H]1CCC[NH2+]C1	ZINC000419899429	812280440	/nfs/dbraw/zinc/28/04/40/812280440.db2.gz	RUZMGGTXKWZGEE-RHSMWYFYSA-N	1	0	354.454	1.554	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCCC(C)(C)[C@H]2C#N)CC1=O	ZINC000434445175	815566474	/nfs/dbraw/zinc/56/64/74/815566474.db2.gz	HLJQSRZLSZMNKJ-GVDBMIGSSA-N	1	0	360.502	1.860	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1	ZINC000366504566	813392475	/nfs/dbraw/zinc/39/24/75/813392475.db2.gz	DIZDNZHJASZHBG-LZLYRXPVSA-N	1	0	352.438	1.748	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C	ZINC000420044474	813420682	/nfs/dbraw/zinc/42/06/82/813420682.db2.gz	TTZMIHPSILNDLK-PBHICJAKSA-N	1	0	372.469	1.524	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])CC2)cc1	ZINC000420065304	813448508	/nfs/dbraw/zinc/44/85/08/813448508.db2.gz	PMCVEUGVLACBDT-RBUKOAKNSA-N	1	0	366.465	1.808	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CC[NH2+]1	ZINC000420133440	813472184	/nfs/dbraw/zinc/47/21/84/813472184.db2.gz	SZXLKNVYFNEZET-ZBFHGGJFSA-N	1	0	370.453	1.185	20	30		FDEDRO
CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000420167820	813524249	/nfs/dbraw/zinc/52/42/49/813524249.db2.gz	JPZNAWYSFJZJJY-CQSZACIVSA-N	1	0	358.442	1.042	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1	ZINC000420220667	813565401	/nfs/dbraw/zinc/56/54/01/813565401.db2.gz	YKERXSDFWJJQHN-CEXWTWQISA-N	1	0	368.481	1.800	20	30		FDEDRO
COc1ccc(C[NH2+]CCNC(=O)c2ccn[nH]2)cc1OCCCC#N	ZINC000272535273	814743088	/nfs/dbraw/zinc/74/30/88/814743088.db2.gz	KJXDMVPKRAEFMO-UHFFFAOYSA-N	1	0	357.414	1.620	20	30		FDEDRO
C=CCN(CC1CCCCC1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1	ZINC000652729015	814782016	/nfs/dbraw/zinc/78/20/16/814782016.db2.gz	LUXKRUYJCRDWPW-IAGOWNOFSA-N	1	0	351.491	1.404	20	30		FDEDRO
COC(=O)COc1ccccc1[C@@H](C)[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000273378734	814793599	/nfs/dbraw/zinc/79/35/99/814793599.db2.gz	QVONUSXLPXIGTC-LTFJSZEESA-N	1	0	373.409	1.415	20	30		FDEDRO
CC[NH+]=C(NCCC1CCCC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1	ZINC000261863289	814798888	/nfs/dbraw/zinc/79/88/88/814798888.db2.gz	ZPSTVWAYUGLZFD-LJQANCHMSA-N	1	0	363.506	1.842	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc3nccn3c2)C[C@H]1C(F)(F)F	ZINC001112130194	814799792	/nfs/dbraw/zinc/79/97/92/814799792.db2.gz	GCIUSLZDOKTVLN-CHWSQXEVSA-N	1	0	353.348	1.898	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](OCC)C1	ZINC000983139065	814802245	/nfs/dbraw/zinc/80/22/45/814802245.db2.gz	KZXSSXKKCZIGTL-OWCLPIDISA-N	1	0	351.491	1.273	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(N2CCc3ccccc32)CC1	ZINC000503414915	814827661	/nfs/dbraw/zinc/82/76/61/814827661.db2.gz	GQEXMWWHAVIKCY-OAHLLOKOSA-N	1	0	356.470	1.914	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1	ZINC001028710263	814832276	/nfs/dbraw/zinc/83/22/76/814832276.db2.gz	SXEBCKJDVRVFDP-OTWHNJEPSA-N	1	0	365.518	1.271	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](C[C@H](O)c4ccccc4F)C[C@H]32)c[nH]1	ZINC001075703530	815597736	/nfs/dbraw/zinc/59/77/36/815597736.db2.gz	GOMZKJJCOSHVDF-BKTGTZMESA-N	1	0	368.412	1.905	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCCNc1cc[nH+]cc1	ZINC000434609998	815630430	/nfs/dbraw/zinc/63/04/30/815630430.db2.gz	USNKEPGNHPGBJQ-UHFFFAOYSA-N	1	0	354.414	1.098	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2)C1	ZINC001028810068	815786293	/nfs/dbraw/zinc/78/62/93/815786293.db2.gz	VUZBGTBRMAZXOK-JQHSSLGASA-N	1	0	357.454	1.315	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N(CC)CCC#N	ZINC001167956719	815815174	/nfs/dbraw/zinc/81/51/74/815815174.db2.gz	JOQWDRGRVVPYLY-WMZOPIPTSA-N	1	0	364.490	1.216	20	30		FDEDRO
CNC(=O)N[C@@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1	ZINC000434981444	815867972	/nfs/dbraw/zinc/86/79/72/815867972.db2.gz	JTSRVLNTPWQRHU-MRXNPFEDSA-N	1	0	353.430	1.362	20	30		FDEDRO
CC1=CC[N@H+](CCNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1	ZINC000435096690	815910053	/nfs/dbraw/zinc/91/00/53/815910053.db2.gz	OHUOLHCLRDBEDE-UHFFFAOYSA-N	1	0	357.458	1.821	20	30		FDEDRO
COc1cccc([C@@H]2[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)CCN2C2CC2)c1	ZINC000514788799	815979399	/nfs/dbraw/zinc/97/93/99/815979399.db2.gz	YYKMXIACEFRUOT-CEWLAPEOSA-N	1	0	372.513	1.769	20	30		FDEDRO
CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)C1	ZINC000425390246	816080610	/nfs/dbraw/zinc/08/06/10/816080610.db2.gz	VWQMBQQCVQRLHH-DOTOQJQBSA-N	1	0	356.470	1.878	20	30		FDEDRO
C=CCOC[C@H](NC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1)C(=O)OC	ZINC000435933164	816253637	/nfs/dbraw/zinc/25/36/37/816253637.db2.gz	BNEUJCNZWYQIME-IRXDYDNUSA-N	1	0	364.417	1.651	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2cnn(C)c2)C[C@H]1C(F)(F)F	ZINC001112136726	816456628	/nfs/dbraw/zinc/45/66/28/816456628.db2.gz	BZYKDRUUQNITAS-NWANDNLSSA-N	1	0	356.392	1.916	20	30		FDEDRO
COC(=O)c1ccc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c(C#N)n1	ZINC000516784611	817009968	/nfs/dbraw/zinc/00/99/68/817009968.db2.gz	OWMJTHUVTBFJJY-HOTGVXAUSA-N	1	0	371.485	1.735	20	30		FDEDRO
C[NH+]=C(NCCc1ccc2ccccc2n1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261944811	817132824	/nfs/dbraw/zinc/13/28/24/817132824.db2.gz	FLSOPIBHMDHJDF-UHFFFAOYSA-N	1	0	374.510	1.862	20	30		FDEDRO
N#C[C@H]1CC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1	ZINC000425851667	817228238	/nfs/dbraw/zinc/22/82/38/817228238.db2.gz	UECNHZKYBVEZGC-WJFTUGDTSA-N	1	0	356.470	1.861	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000425875880	817291495	/nfs/dbraw/zinc/29/14/95/817291495.db2.gz	UOHMVIVETCFPEB-OTWHNJEPSA-N	1	0	371.481	1.475	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1	ZINC000425886253	817295245	/nfs/dbraw/zinc/29/52/45/817295245.db2.gz	YWCPQGBUSJJPCK-HKUYNNGSSA-N	1	0	364.534	1.779	20	30		FDEDRO
C=CCn1cc(CNC(=O)N[C@H](C[NH+](C)C)c2ccc(OC)cc2)nn1	ZINC000425882415	817300557	/nfs/dbraw/zinc/30/05/57/817300557.db2.gz	UVRHWIVGLWYOHR-QGZVFWFLSA-N	1	0	358.446	1.575	20	30		FDEDRO
C=CCc1cc(CNC(=O)NC[C@](C)(O)C[NH+](C)C)cc(OC)c1OC	ZINC000506448359	817810461	/nfs/dbraw/zinc/81/04/61/817810461.db2.gz	QIMYZDCEPQPEGR-IBGZPJMESA-N	1	0	365.474	1.544	20	30		FDEDRO
CC[NH+]=C(NCC(=O)Nc1cccnc1)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000261968465	817831674	/nfs/dbraw/zinc/83/16/74/817831674.db2.gz	QCCWMKWETCASKI-UHFFFAOYSA-N	1	0	374.489	1.317	20	30		FDEDRO
C[NH+]=C(NCC(=O)N1CCCc2ccccc21)N1CC[C@]2(CCOC2)C1	ZINC000261973925	817875835	/nfs/dbraw/zinc/87/58/35/817875835.db2.gz	NHMHGAJIJXYKEZ-FQEVSTJZSA-N	1	0	356.470	1.654	20	30		FDEDRO
CN(C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCC[N@H+](C)C1	ZINC000894424356	818039330	/nfs/dbraw/zinc/03/93/30/818039330.db2.gz	YVVMEDFSJCLAIF-MSOLQXFVSA-N	1	0	369.469	1.395	20	30		FDEDRO
Cc1nc(C(=O)N(Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)ccc1C#N	ZINC000519548598	818090792	/nfs/dbraw/zinc/09/07/92/818090792.db2.gz	UWUDYLNWVKKTTK-KRWDZBQOSA-N	1	0	364.453	1.780	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C2=COCCO2)C1	ZINC001087471875	818105797	/nfs/dbraw/zinc/10/57/97/818105797.db2.gz	AGBXQHWDWGFRMY-OALUTQOASA-N	1	0	370.449	1.881	20	30		FDEDRO
C[NH+]=C(NC[C@H](O)c1ccccc1F)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000262038142	818137361	/nfs/dbraw/zinc/13/73/61/818137361.db2.gz	XXPXPFWDBXOUNH-INIZCTEOSA-N	1	0	364.465	1.766	20	30		FDEDRO
C#CCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2cn(C)nc2C)C1	ZINC001087472917	818185775	/nfs/dbraw/zinc/18/57/75/818185775.db2.gz	DTECDWJDZVCFJE-ICSRJNTNSA-N	1	0	366.465	1.958	20	30		FDEDRO
CN(CC[N@H+](C)Cc1csc(C#N)c1)c1ccc(S(N)(=O)=O)cc1	ZINC000894689858	818330315	/nfs/dbraw/zinc/33/03/15/818330315.db2.gz	NSFQVUNYHLEQBE-UHFFFAOYSA-N	1	0	364.496	1.835	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)Cn2cncn2)C1	ZINC001087476530	818378946	/nfs/dbraw/zinc/37/89/46/818378946.db2.gz	SDEXPCGTNMZALW-ROUUACIJSA-N	1	0	355.442	1.447	20	30		FDEDRO
C#CCOc1ccc(NC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1	ZINC000108523024	818560932	/nfs/dbraw/zinc/56/09/32/818560932.db2.gz	RXEGEPYQLZJERG-SFHVURJKSA-N	1	0	372.469	1.763	20	30		FDEDRO
C[NH+](C)C[C@H](O)COc1ccc(NC(=O)COc2ccc(C#N)cc2)cc1	ZINC000426870715	818577139	/nfs/dbraw/zinc/57/71/39/818577139.db2.gz	FQTBNUKTZYETNN-KRWDZBQOSA-N	1	0	369.421	1.877	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(C(N)=O)c2)C1	ZINC000983697286	818595736	/nfs/dbraw/zinc/59/57/36/818595736.db2.gz	FHAZSMFSBPHONK-OWYHZJEWSA-N	1	0	371.481	1.751	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]Cc2cn(C)nn2)CC1	ZINC001029101783	818599843	/nfs/dbraw/zinc/59/98/43/818599843.db2.gz	MSHLGIWIRTUVCX-QGTPRVQTSA-N	1	0	361.490	1.513	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]CCCc1nc(C)no1	ZINC001167985166	818715970	/nfs/dbraw/zinc/71/59/70/818715970.db2.gz	BFRWULXKCRQFDI-RDJZCZTQSA-N	1	0	350.463	1.778	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1	ZINC000280789217	818895773	/nfs/dbraw/zinc/89/57/73/818895773.db2.gz	FOIMXVUYTJLUIG-SFHVURJKSA-N	1	0	354.454	1.858	20	30		FDEDRO
C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)CC(=C)C)C[C@H]1C(F)(F)F	ZINC001112149753	818912355	/nfs/dbraw/zinc/91/23/55/818912355.db2.gz	QNIHLMWVJDRDMD-BFHYXJOUSA-N	1	0	359.392	1.317	20	30		FDEDRO
C[C@@H]([NH2+]Cc1ccc(C#N)cc1)C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1	ZINC001029144439	818928657	/nfs/dbraw/zinc/92/86/57/818928657.db2.gz	JBMBRFCRDAMHFF-XWIAVFTESA-N	1	0	354.454	1.396	20	30		FDEDRO
C#Cc1ccc(C[NH2+]C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)cc1	ZINC000894873238	818948888	/nfs/dbraw/zinc/94/88/88/818948888.db2.gz	KPKSNQDTQNCZOA-UHFFFAOYSA-N	1	0	372.494	1.951	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1	ZINC000473878726	818952267	/nfs/dbraw/zinc/95/22/67/818952267.db2.gz	UCNPLFRMWWLDLR-HXUWFJFHSA-N	1	0	367.534	1.958	20	30		FDEDRO
COc1cc(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)ccc1C#N	ZINC000894947686	819381064	/nfs/dbraw/zinc/38/10/64/819381064.db2.gz	GYAREEPWJQDYNT-IAGOWNOFSA-N	1	0	358.442	1.307	20	30		FDEDRO
CNC(=O)NC1CN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1	ZINC000328724815	819532055	/nfs/dbraw/zinc/53/20/55/819532055.db2.gz	YSSIODSMVBYACA-UHFFFAOYSA-N	1	0	359.474	1.904	20	30		FDEDRO
O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1ccc2n[nH]c(=O)n2c1	ZINC000328678692	819532809	/nfs/dbraw/zinc/53/28/09/819532809.db2.gz	MODJEYLXGHBWNY-UHFFFAOYSA-N	1	0	359.430	1.775	20	30		FDEDRO
CC(C)(O)CN1CCN(C(=O)Nc2cn(Cc3ccccc3)nn2)CC1	ZINC000328758028	819545275	/nfs/dbraw/zinc/54/52/75/819545275.db2.gz	VMVNBWKURPKCIJ-UHFFFAOYSA-N	1	0	358.446	1.260	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2CCN(c3ccc(C(N)=O)cn3)CC2)CC1	ZINC000328728593	819548301	/nfs/dbraw/zinc/54/83/01/819548301.db2.gz	VQTDCINFLNHLSY-UHFFFAOYSA-N	1	0	374.489	1.528	20	30		FDEDRO
Cn1cncc1[C@H]1[C@H](NC(=O)NC2CC[NH+](C)CC2)CCC(=O)N1C1CC1	ZINC000328946291	819585583	/nfs/dbraw/zinc/58/55/83/819585583.db2.gz	GNEHPIGUAWGCSV-CRAIPNDOSA-N	1	0	374.489	1.212	20	30		FDEDRO
C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O	ZINC000328988730	819605688	/nfs/dbraw/zinc/60/56/88/819605688.db2.gz	UVFVXDQIBFUXQV-PSFFPDNBSA-N	1	0	367.490	1.204	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](C[C@H](O)Cc3ccc(F)cc3)C[C@H]21	ZINC001075780273	819620937	/nfs/dbraw/zinc/62/09/37/819620937.db2.gz	HOZPNKKMAQXIIV-DFQSSKMNSA-N	1	0	356.441	1.675	20	30		FDEDRO
CC[C@@H]1CN(C(=O)c2cccc(NC(=O)N(C)C)c2)CC[N@@H+]1C[C@H](C)O	ZINC000330699458	819630961	/nfs/dbraw/zinc/63/09/61/819630961.db2.gz	XPKASZBASLVDFH-WMLDXEAASA-N	1	0	362.474	1.711	20	30		FDEDRO
CC[C@@H]1CN(C(=O)c2cccc(NC(=O)N(C)C)c2)CC[N@@H+]1C[C@@H](C)O	ZINC000330699457	819631305	/nfs/dbraw/zinc/63/13/05/819631305.db2.gz	XPKASZBASLVDFH-RHSMWYFYSA-N	1	0	362.474	1.711	20	30		FDEDRO
Cn1cc(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)ccc1=O	ZINC000331162896	819669120	/nfs/dbraw/zinc/66/91/20/819669120.db2.gz	GMVGNWQPVRMCEQ-UHFFFAOYSA-N	1	0	362.474	1.317	20	30		FDEDRO
C[C@H]1CN(C(=O)NCc2ccc(OC(F)F)cn2)CC[N@@H+]1CC(C)(C)O	ZINC000331353877	819680169	/nfs/dbraw/zinc/68/01/69/819680169.db2.gz	YRGVGRNNKWSDNX-LBPRGKRZSA-N	1	0	372.416	1.874	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cccc(C)n3)[C@H]2CC)C1=O	ZINC001087504407	819761318	/nfs/dbraw/zinc/76/13/18/819761318.db2.gz	DWUANDQAFVHJEA-JQHSSLGASA-N	1	0	356.470	1.760	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)c2ccoc2)CC1	ZINC000983852294	819788458	/nfs/dbraw/zinc/78/84/58/819788458.db2.gz	XPIRQBQNPWNQDZ-APWZRJJASA-N	1	0	371.481	1.982	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)c(F)c1	ZINC000520547231	820061662	/nfs/dbraw/zinc/06/16/62/820061662.db2.gz	XBADIJLTCHFGPL-BBWFWOEESA-N	1	0	371.460	1.917	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1occc1C[NH+](C)C	ZINC000984038605	820631312	/nfs/dbraw/zinc/63/13/12/820631312.db2.gz	SXMDSEZLWWMARP-FMKPAKJESA-N	1	0	360.458	1.858	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cccc(=O)[nH]3)[C@H]2CC)C1=O	ZINC001087532221	820684385	/nfs/dbraw/zinc/68/43/85/820684385.db2.gz	XJPGKZUMNCPJDR-NUEKZKHPSA-N	1	0	358.442	1.157	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC000984080551	820740364	/nfs/dbraw/zinc/74/03/64/820740364.db2.gz	FUSYFPPHJWPAKX-VYDXJSESSA-N	1	0	371.485	1.728	20	30		FDEDRO
N#CC1(NC(=O)CC(=O)NCC2CC2)CC[NH+](Cc2ccccc2)CC1	ZINC000427705403	820769282	/nfs/dbraw/zinc/76/92/82/820769282.db2.gz	OHWXULXRAYERQM-UHFFFAOYSA-N	1	0	354.454	1.577	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000442140615	821065256	/nfs/dbraw/zinc/06/52/56/821065256.db2.gz	RVYWSAMEZMJKGS-DZGCQCFKSA-N	1	0	358.442	1.883	20	30		FDEDRO
CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000521377758	821236392	/nfs/dbraw/zinc/23/63/92/821236392.db2.gz	RDBIYBAEFSAUCF-INIZCTEOSA-N	1	0	358.490	1.905	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1CCc1cnn(CC)c1	ZINC001087545405	821246539	/nfs/dbraw/zinc/24/65/39/821246539.db2.gz	HXKISXBCXSNXDL-FUHWJXTLSA-N	1	0	354.458	1.928	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1CCn1nc(C)cc1C	ZINC001087548890	821303517	/nfs/dbraw/zinc/30/35/17/821303517.db2.gz	UGRMXJPSTBMGJG-ZWKOTPCHSA-N	1	0	354.458	1.983	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(=O)n(C)o2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087555624	821438069	/nfs/dbraw/zinc/43/80/69/821438069.db2.gz	TWXIBOPSGBPPKO-JKSUJKDBSA-N	1	0	354.410	1.633	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)Cn2nccn2)CC[N@@H+]1Cc1cc(C#N)ccc1OC	ZINC001087587246	821616071	/nfs/dbraw/zinc/61/60/71/821616071.db2.gz	DSMYGXPVWUEJRP-DLBZAZTESA-N	1	0	368.441	1.328	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(CO)cc2)[C@@H]1CC	ZINC001087607163	821714486	/nfs/dbraw/zinc/71/44/86/821714486.db2.gz	ONPYAXFSNUQPPJ-HBMCJLEFSA-N	1	0	369.509	1.746	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)[C@H]1CC	ZINC001087608401	821721681	/nfs/dbraw/zinc/72/16/81/821721681.db2.gz	HRLYTUTXVULBLE-XMTFNYHQSA-N	1	0	358.486	1.880	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3cncs3)[C@H]2CC)C1=O	ZINC001087612377	821739839	/nfs/dbraw/zinc/73/98/39/821739839.db2.gz	LTBKUSWIZMAQMB-ARFHVFGLSA-N	1	0	362.499	1.442	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1C(F)(F)F	ZINC001112166511	821746120	/nfs/dbraw/zinc/74/61/20/821746120.db2.gz	XUDIMACPQYUIIW-XJFOESAGSA-N	1	0	361.408	1.833	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cn[nH]c(=O)c2)CC[N@@H+]1CC#Cc1ccc(F)cc1	ZINC001087614010	821749439	/nfs/dbraw/zinc/74/94/39/821749439.db2.gz	VUJTVEKGCCMIHG-ZWKOTPCHSA-N	1	0	368.412	1.956	20	30		FDEDRO
COCC#CCN[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C(F)(F)F	ZINC001112166487	821772883	/nfs/dbraw/zinc/77/28/83/821772883.db2.gz	WGUBUCMBGWGVBP-RBSFLKMASA-N	1	0	361.408	1.099	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCN(C)C(=O)C2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087627729	821803816	/nfs/dbraw/zinc/80/38/16/821803816.db2.gz	FSEOLZAJXLPTNA-GBESFXJTSA-N	1	0	368.481	1.896	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H]([NH2+]C3CCN(C(=O)C4CC4)CC3)C2=O)cc1	ZINC000524450755	828380929	/nfs/dbraw/zinc/38/09/29/828380929.db2.gz	CVSVSHRDRGKXMK-GOSISDBHSA-N	1	0	352.438	1.654	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC(=O)CC2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087673055	821983699	/nfs/dbraw/zinc/98/36/99/821983699.db2.gz	UCSGBAFQYVRFHB-GBESFXJTSA-N	1	0	368.481	1.944	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000984267274	822062863	/nfs/dbraw/zinc/06/28/63/822062863.db2.gz	YGHFVNSOJVUIOH-XYJFISCASA-N	1	0	371.485	1.680	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@]2(C)CCNC2=O)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087723361	822215928	/nfs/dbraw/zinc/21/59/28/822215928.db2.gz	MOYMCFSYMYPLKM-SQGPQFPESA-N	1	0	354.454	1.554	20	30		FDEDRO
CO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1	ZINC000329100011	822216156	/nfs/dbraw/zinc/21/61/56/822216156.db2.gz	ZHFKRXVOWFJUGG-BMRXWSCTSA-N	1	0	362.478	1.506	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cncc(C)c3)[C@@H]2CC)nn1	ZINC001087754226	822369488	/nfs/dbraw/zinc/36/94/88/822369488.db2.gz	UIBVKFQCDPGULW-FUHWJXTLSA-N	1	0	354.458	1.950	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+](CCn2cncn2)[C@@H]1CC	ZINC001087790012	822437292	/nfs/dbraw/zinc/43/72/92/822437292.db2.gz	RCANVMVHGCOJFG-JKSUJKDBSA-N	1	0	370.457	1.521	20	30		FDEDRO
C[NH+]=C(NCC(=O)N1CCCc2ccccc21)NC1CCN(C(C)=O)CC1	ZINC000262210177	822484160	/nfs/dbraw/zinc/48/41/60/822484160.db2.gz	IVEKDDLQQIFOEH-UHFFFAOYSA-N	1	0	371.485	1.142	20	30		FDEDRO
CO[C@@H](C[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1)c1ccccc1	ZINC001083417755	822509687	/nfs/dbraw/zinc/50/96/87/822509687.db2.gz	BKGNITYUSCDLEJ-SQNIBIBYSA-N	1	0	354.410	1.049	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCC(F)(F)C3)C[C@@H]2O)c[nH]1	ZINC001083418041	822535170	/nfs/dbraw/zinc/53/51/70/822535170.db2.gz	OTLGIGVHHQMCDZ-DFBGVHRSSA-N	1	0	352.385	1.487	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3ccco3)[C@H]2CC)CC1	ZINC000984447782	822544364	/nfs/dbraw/zinc/54/43/64/822544364.db2.gz	UJFDPGJKTPBCAL-DLBZAZTESA-N	1	0	357.454	1.734	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3cnc(C)nc3)[C@@H]2CC)CC1	ZINC001087839944	822558387	/nfs/dbraw/zinc/55/83/87/822558387.db2.gz	AZSYGIFEFKZTEA-VQTJNVASSA-N	1	0	369.513	1.599	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C(=O)O1	ZINC000895594212	822667038	/nfs/dbraw/zinc/66/70/38/822667038.db2.gz	KSTGSUHQYWVFTK-DYVFJYSZSA-N	1	0	356.426	1.526	20	30		FDEDRO
CCN(CCC(=O)NC)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000895594798	822667391	/nfs/dbraw/zinc/66/73/91/822667391.db2.gz	UMODNFJSWWQGBN-UHFFFAOYSA-N	1	0	371.485	1.690	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C4=COCCO4)C[C@@H]3C2)s1	ZINC001087874155	822669161	/nfs/dbraw/zinc/66/91/61/822669161.db2.gz	JCCLZLHPJPWJND-KGLIPLIRSA-N	1	0	359.451	1.788	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)OC)C[C@@H]2C1	ZINC001087901568	822773622	/nfs/dbraw/zinc/77/36/22/822773622.db2.gz	OFGRHYKXQVPUSE-LESCRADOSA-N	1	0	357.454	1.882	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(C#N)cc2)C1	ZINC001029840257	828489351	/nfs/dbraw/zinc/48/93/51/828489351.db2.gz	VAEWAYIHPXENHR-OTWHNJEPSA-N	1	0	368.481	1.563	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2CCN(Cc3cc(=O)n4ccsc4n3)C[C@H]2C1	ZINC001087911044	823770551	/nfs/dbraw/zinc/77/05/51/823770551.db2.gz	IEWSPZRGWCLCCD-MJBXVCDLSA-N	1	0	371.466	1.196	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@H]1CCOC2(CCCC2)C1)=[NH+]C[C@@H]1CCOC1	ZINC000262249193	823781098	/nfs/dbraw/zinc/78/10/98/823781098.db2.gz	BOHOWCUEJFGXBO-HOTGVXAUSA-N	1	0	366.506	1.138	20	30		FDEDRO
CC(C)N1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]3C2)C1=O	ZINC001087924828	823919561	/nfs/dbraw/zinc/91/95/61/823919561.db2.gz	KQACISPJWHSQNC-RYRKJORJSA-N	1	0	369.469	1.290	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[N@@H+](CCCN4CCCC4=O)CC[C@@H]3C2)c1	ZINC001087924845	823919688	/nfs/dbraw/zinc/91/96/88/823919688.db2.gz	LKLKJRZICQALEB-SJORKVTESA-N	1	0	369.469	1.293	20	30		FDEDRO
C[C@@H](c1cnccn1)[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C1	ZINC001087938787	824017400	/nfs/dbraw/zinc/01/74/00/824017400.db2.gz	KYJQBQOOLSNMEW-ZNMIVQPWSA-N	1	0	350.426	1.831	20	30		FDEDRO
Cn1nncc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)CC[C@@H]2C1	ZINC001087953156	824129238	/nfs/dbraw/zinc/12/92/38/824129238.db2.gz	GWJOEDRABZGNBO-ZBFHGGJFSA-N	1	0	368.416	1.420	20	30		FDEDRO
NC(=O)c1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)cc1	ZINC001087961680	824182048	/nfs/dbraw/zinc/18/20/48/824182048.db2.gz	FBQAOZSXIDFKQH-MOPGFXCFSA-N	1	0	351.450	1.479	20	30		FDEDRO
CC(C)[NH+]1CCN(c2cccc(NC(=O)c3cn(C)c(=O)[nH]c3=O)c2)CC1	ZINC000329006555	824532546	/nfs/dbraw/zinc/53/25/46/824532546.db2.gz	NAZSRIOMVNAZKA-UHFFFAOYSA-N	1	0	371.441	1.653	20	30		FDEDRO
COCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCCC12CC[NH+](C)CC2	ZINC000329044375	824544640	/nfs/dbraw/zinc/54/46/40/824544640.db2.gz	FHSNLBIIXSJNAT-CQSZACIVSA-N	1	0	362.478	1.734	20	30		FDEDRO
CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)C1	ZINC000329056307	824549383	/nfs/dbraw/zinc/54/93/83/824549383.db2.gz	XWVWSRQFDWMPQM-YESZJQIVSA-N	1	0	366.506	1.200	20	30		FDEDRO
CC(=O)N1CCC[C@](O)(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1	ZINC000329060378	824550307	/nfs/dbraw/zinc/55/03/07/824550307.db2.gz	UOCOLLUJQKLBBA-HXUWFJFHSA-N	1	0	374.485	1.395	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)C[N@@H+]1C1CC1	ZINC000329078190	824561948	/nfs/dbraw/zinc/56/19/48/824561948.db2.gz	QHJXKHNIEIYUBN-IVMMDQJWSA-N	1	0	374.489	1.775	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCCN(CC(F)F)CC1	ZINC000329085898	824568997	/nfs/dbraw/zinc/56/89/97/824568997.db2.gz	UMMHWYRGABVPQX-HZPDHXFCSA-N	1	0	374.476	1.551	20	30		FDEDRO
CNC(=O)[C@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C[C@@H]1c1cnn(C)c1	ZINC000329149455	824626530	/nfs/dbraw/zinc/62/65/30/824626530.db2.gz	YXJSIFPCTPCIQK-HONMWMINSA-N	1	0	362.434	1.443	20	30		FDEDRO
O=C(CN1CCN(Cc2ccncc2)CC1)NC1CC[NH+](C2CC2)CC1	ZINC000329155685	824632949	/nfs/dbraw/zinc/63/29/49/824632949.db2.gz	BTPVEZJPXXZCPC-UHFFFAOYSA-N	1	0	357.502	1.783	20	30		FDEDRO
CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)C1	ZINC000329163050	824638692	/nfs/dbraw/zinc/63/86/92/824638692.db2.gz	GCGJJHOMLMAOBK-VUHPKUFZSA-N	1	0	367.490	1.424	20	30		FDEDRO
C[C@H](OC[C@@H]1CCCCO1)C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1	ZINC000329162065	824638784	/nfs/dbraw/zinc/63/87/84/824638784.db2.gz	FWODBLNMFPLSTH-XIRDDKMYSA-N	1	0	367.490	1.612	20	30		FDEDRO
CC1(CNC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CC[N@@H+]2C3)COC1	ZINC000329172634	824645888	/nfs/dbraw/zinc/64/58/88/824645888.db2.gz	AJCUZDZETOMQNL-DLBZAZTESA-N	1	0	372.469	1.125	20	30		FDEDRO
CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)C1	ZINC000329206228	824666333	/nfs/dbraw/zinc/66/63/33/824666333.db2.gz	XIPVHIVZFDWXKS-PMPSAXMXSA-N	1	0	366.506	1.485	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCNC(=O)CC1	ZINC001029481032	824673448	/nfs/dbraw/zinc/67/34/48/824673448.db2.gz	WRVPUHTTZYSRLE-AVEIZBFRSA-N	1	0	361.486	1.169	20	30		FDEDRO
CC1(C)CN(C(=O)C2CC2)CCN1CC(=O)NC1CC[NH+](C2CC2)CC1	ZINC000329232220	824685577	/nfs/dbraw/zinc/68/55/77/824685577.db2.gz	LDNWTMNPDCSQGJ-UHFFFAOYSA-N	1	0	362.518	1.903	20	30		FDEDRO
O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCO[C@@]2(CCCOC2)C1	ZINC000329248012	824693153	/nfs/dbraw/zinc/69/31/53/824693153.db2.gz	WMTKTHUUUOQETN-IBGZPJMESA-N	1	0	367.490	1.427	20	30		FDEDRO
O=C(NCCN1CCNC(=O)C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1	ZINC000329255308	824697383	/nfs/dbraw/zinc/69/73/83/824697383.db2.gz	ACVVGAZXTIXEAR-QGZVFWFLSA-N	1	0	365.522	1.761	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O	ZINC000329263720	824702845	/nfs/dbraw/zinc/70/28/45/824702845.db2.gz	FJEUNVULORUKQD-BZUAXINKSA-N	1	0	364.490	1.144	20	30		FDEDRO
Cc1nc(CN2CCN(CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)no1	ZINC000329273856	824708028	/nfs/dbraw/zinc/70/80/28/824708028.db2.gz	AWRAEFSVQXTFHI-UHFFFAOYSA-N	1	0	362.478	1.079	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCN1CCCC1=O	ZINC001029481965	824721491	/nfs/dbraw/zinc/72/14/91/824721491.db2.gz	NPXMOGCWVHJQOW-XDNAFOTISA-N	1	0	361.486	1.265	20	30		FDEDRO
O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1	ZINC000329309641	824726788	/nfs/dbraw/zinc/72/67/88/824726788.db2.gz	FNVDIYWDLZWTCH-IXDOHACOSA-N	1	0	365.474	1.366	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)N3CCOCC4(CC4)C3)ccn2)CC1	ZINC000329465934	824813184	/nfs/dbraw/zinc/81/31/84/824813184.db2.gz	RQSHLMNTJANSNQ-UHFFFAOYSA-N	1	0	359.474	1.360	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)CC1	ZINC000329482475	824828284	/nfs/dbraw/zinc/82/82/84/824828284.db2.gz	PXJKWNWDZOARFU-QYZOEREBSA-N	1	0	361.534	1.237	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCNC3=O)C[C@@H]2C1	ZINC001087990471	824933783	/nfs/dbraw/zinc/93/37/83/824933783.db2.gz	GXWFQIXYPXPHIE-LZQZEXGQSA-N	1	0	366.465	1.365	20	30		FDEDRO
CC(C)C(=O)N1CCC(NC(=O)NCC2(O)CC[NH+](C(C)C)CC2)CC1	ZINC000329622139	825039976	/nfs/dbraw/zinc/03/99/76/825039976.db2.gz	HCMWWSLONKDZHI-UHFFFAOYSA-N	1	0	368.522	1.372	20	30		FDEDRO
C=CC[C@@H]1N(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CCCC1(C)C	ZINC000447423996	828744460	/nfs/dbraw/zinc/74/44/60/828744460.db2.gz	UACDKOAIBYTYCS-HNNXBMFYSA-N	1	0	361.490	1.977	20	30		FDEDRO
N#CC[C@@H](CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccccc1	ZINC000475652256	828754746	/nfs/dbraw/zinc/75/47/46/828754746.db2.gz	AVBJSMUYLNNTDS-IBGZPJMESA-N	1	0	368.481	1.841	20	30		FDEDRO
O=C(CN1CCN2CCOC[C@@H]2C1)NCC1(c2ccccc2)CCOCC1	ZINC000329663379	825256173	/nfs/dbraw/zinc/25/61/73/825256173.db2.gz	JJJWDHAOBQZRJD-IBGZPJMESA-N	1	0	373.497	1.708	20	30		FDEDRO
C[C@@H](NC(=O)N1CCC(C(=O)N2CCOCC2)CC1)C1=CC[N@H+](C)CC1	ZINC000329715308	825362262	/nfs/dbraw/zinc/36/22/62/825362262.db2.gz	UUPZDBMHHKRUDF-OAHLLOKOSA-N	1	0	364.490	1.122	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]1C(F)(F)F	ZINC001112173933	825365900	/nfs/dbraw/zinc/36/59/00/825365900.db2.gz	UVEQJCFBBAZRPB-VXGBXAGGSA-N	1	0	370.437	1.755	20	30		FDEDRO
C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CN2CCN(C)C(=O)C2)CC1	ZINC000329729675	825386606	/nfs/dbraw/zinc/38/66/06/825386606.db2.gz	PGYMLPVYVICBTB-MRXNPFEDSA-N	1	0	358.486	1.943	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](CNCc2nc(CCC)no2)C1	ZINC000984918738	825458776	/nfs/dbraw/zinc/45/87/76/825458776.db2.gz	CTHSADQEMHMMFE-XSWJXKHESA-N	1	0	362.474	1.988	20	30		FDEDRO
O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCN2CCOC[C@H]2C1	ZINC000329805875	825467097	/nfs/dbraw/zinc/46/70/97/825467097.db2.gz	AVEOWYJFOMFGAG-GOSISDBHSA-N	1	0	359.474	1.228	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3ccc(C(N)=O)cc3)C[C@@H]2C1	ZINC001088040206	825520915	/nfs/dbraw/zinc/52/09/15/825520915.db2.gz	FCLGESJVKNJWQY-MOPGFXCFSA-N	1	0	353.466	1.522	20	30		FDEDRO
CC(=O)N[C@H](CC1CCC1)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000329888349	825524864	/nfs/dbraw/zinc/52/48/64/825524864.db2.gz	YUCJEIPDTXOKEE-SJORKVTESA-N	1	0	364.490	1.287	20	30		FDEDRO
Cc1nnc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)[C@H](C)C(=O)NC(=O)NC2CC2)o1	ZINC000329948528	825558959	/nfs/dbraw/zinc/55/89/59/825558959.db2.gz	KUVOIXZFORSKOR-CDMKHQONSA-N	1	0	368.413	1.648	20	30		FDEDRO
COCc1nc2n(n1)CCC[C@H]2NC(=O)NC1CC[NH+](CC2CC2)CC1	ZINC000329977580	825573718	/nfs/dbraw/zinc/57/37/18/825573718.db2.gz	GGIYNMITVIGBBH-OAHLLOKOSA-N	1	0	362.478	1.637	20	30		FDEDRO
CC(=O)N1CCC[C@H](CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1	ZINC000329983073	825577438	/nfs/dbraw/zinc/57/74/38/825577438.db2.gz	AVAXTBWLQCUHAT-QGZVFWFLSA-N	1	0	366.506	1.394	20	30		FDEDRO
COc1cc(C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)nn1C	ZINC000330009029	825592257	/nfs/dbraw/zinc/59/22/57/825592257.db2.gz	FWPAQIFJENKCST-UHFFFAOYSA-N	1	0	371.441	1.843	20	30		FDEDRO
C[NH+]1CCC(O)(CNC(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)CC1	ZINC000330033284	825606530	/nfs/dbraw/zinc/60/65/30/825606530.db2.gz	VKXXXQUNSDDVAI-OAHLLOKOSA-N	1	0	366.506	1.968	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccnc4[nH]c(CC)nc43)C[C@@H]2C1	ZINC001088051171	825624409	/nfs/dbraw/zinc/62/44/09/825624409.db2.gz	QVBAMFXSSGATGE-CABCVRRESA-N	1	0	351.454	1.938	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2ccn(C)c(=O)c2)CC1	ZINC000985657758	828814901	/nfs/dbraw/zinc/81/49/01/828814901.db2.gz	MZCXBOKOESLWBG-MSOLQXFVSA-N	1	0	359.470	1.399	20	30		FDEDRO
Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@@]4(CC[N@@H+](C)C4)C3)C2)nn1	ZINC000330169812	825701549	/nfs/dbraw/zinc/70/15/49/825701549.db2.gz	BNWBVLCJRRPQRQ-QFBILLFUSA-N	1	0	358.490	1.695	20	30		FDEDRO
CC(C)CN1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1=O	ZINC000330236313	825749539	/nfs/dbraw/zinc/74/95/39/825749539.db2.gz	AFAUQFYOZKOORZ-IAGOWNOFSA-N	1	0	366.506	1.078	20	30		FDEDRO
C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1=O	ZINC000330238025	825750498	/nfs/dbraw/zinc/75/04/98/825750498.db2.gz	ASYATWQTRZQQGM-SPUZQDLCSA-N	1	0	356.470	1.774	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+]([C@H](C)C(=O)NC4CC4)CC[C@@H]3C2)cc1	ZINC001088062015	825751835	/nfs/dbraw/zinc/75/18/35/825751835.db2.gz	JLHQTWORCKXNPY-LZQZEXGQSA-N	1	0	365.477	1.729	20	30		FDEDRO
CC[C@@H]1CN(C(=O)N[C@@H]2CCOC3(CCOCC3)C2)CC[N@@H+]1CCOC	ZINC000330270885	825783160	/nfs/dbraw/zinc/78/31/60/825783160.db2.gz	UZGURRLEVPWSGH-IAGOWNOFSA-N	1	0	369.506	1.671	20	30		FDEDRO
CC[C@@H]1CN(C(=O)N[C@H]2CCOC3(CCOCC3)C2)CC[N@@H+]1CCOC	ZINC000330270884	825783572	/nfs/dbraw/zinc/78/35/72/825783572.db2.gz	UZGURRLEVPWSGH-DLBZAZTESA-N	1	0	369.506	1.671	20	30		FDEDRO
CC(C)C(=O)N1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1	ZINC000330308632	825865544	/nfs/dbraw/zinc/86/55/44/825865544.db2.gz	MISBDQKWQSHYKC-SJORKVTESA-N	1	0	366.506	1.078	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccn(-c2cccc(C#N)c2)n1	ZINC000281164945	825904502	/nfs/dbraw/zinc/90/45/02/825904502.db2.gz	GNBSFFLIGACUFK-HNNXBMFYSA-N	1	0	352.442	1.110	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)C[C@H](C)C[N@H+](C)[C@H]2CCN(CC=C)C2=O)C1=O	ZINC000281239240	825920625	/nfs/dbraw/zinc/92/06/25/825920625.db2.gz	FZOYPSAZZLTHBB-BCDXTJNWSA-N	1	0	362.518	1.060	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CC[C@H]1CC[C@@H](C2OCCO2)O1	ZINC000896891774	825956084	/nfs/dbraw/zinc/95/60/84/825956084.db2.gz	ZLOCFJIRLJDVEH-CVEARBPZSA-N	1	0	353.463	1.381	20	30		FDEDRO
N#Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4[C@@H]5COC[C@@H]54)C[C@@H]3C2)ccc1F	ZINC001088073099	825973870	/nfs/dbraw/zinc/97/38/70/825973870.db2.gz	NJLNBSGZRMHFMZ-RFSOPEBBSA-N	1	0	369.440	1.870	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)N3CC[C@@H](O)C34CCCC4)CC2)CC1	ZINC000330360907	825982313	/nfs/dbraw/zinc/98/23/13/825982313.db2.gz	XRVLMPQKUNRPEM-GOSISDBHSA-N	1	0	364.534	1.838	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@@H]1CC	ZINC000984986344	825985691	/nfs/dbraw/zinc/98/56/91/825985691.db2.gz	GZHJJAAGEQZTEJ-KSZLIROESA-N	1	0	371.485	1.870	20	30		FDEDRO
O=C(N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1)[C@]1(F)CCOC1	ZINC001088080851	826144257	/nfs/dbraw/zinc/14/42/57/826144257.db2.gz	PQRKXCSIAKXHRP-DYXWJJEUSA-N	1	0	356.441	1.947	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2CC)c1	ZINC000985065190	826267440	/nfs/dbraw/zinc/26/74/40/826267440.db2.gz	DUANBAOYBYMBFI-RBUKOAKNSA-N	1	0	368.481	1.514	20	30		FDEDRO
[NH2+]=C(NCc1ccc2c(c1)C(=O)NCC2)N[C@@H]1CCOc2ccccc21	ZINC000262394732	826300894	/nfs/dbraw/zinc/30/08/94/826300894.db2.gz	SKWWSBRBXBFHGZ-QGZVFWFLSA-N	1	0	350.422	1.901	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H]3C[N@@H+](CCN4C(=O)CCC4=O)CC[C@@H]3C2)C1	ZINC001088098345	826386960	/nfs/dbraw/zinc/38/69/60/826386960.db2.gz	FLJNFAZOQVVDAL-CVEARBPZSA-N	1	0	359.470	1.272	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@H]3C2)c(F)c1	ZINC001088108445	826425393	/nfs/dbraw/zinc/42/53/93/826425393.db2.gz	BBFIIZFHDAUKQX-XBVQOTNRSA-N	1	0	370.428	1.099	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(S(C)(=O)=O)o3)C[C@@H]2C1	ZINC001088125818	826514142	/nfs/dbraw/zinc/51/41/42/826514142.db2.gz	BKPPAAIHEUWZGA-KGLIPLIRSA-N	1	0	352.456	1.653	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H]3C[N@H+]([C@@H](CC)C(N)=O)CC[C@@H]3C2)cc1	ZINC001088132735	826570023	/nfs/dbraw/zinc/57/00/23/826570023.db2.gz	DKBSQQCBIRNYIT-AOIWGVFYSA-N	1	0	369.465	1.356	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4cc(C)ncn4)CC[C@@H]3C2)nn1	ZINC001088133458	826573727	/nfs/dbraw/zinc/57/37/27/826573727.db2.gz	JOGIWDXPCUXXSJ-CVEARBPZSA-N	1	0	367.457	1.157	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C)[nH]c1C)C2	ZINC001112536692	826581340	/nfs/dbraw/zinc/58/13/40/826581340.db2.gz	VARCGVWQBXSSJS-FIKGOQFSSA-N	1	0	370.497	1.601	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(CNC(C)=O)s1)C2	ZINC001112536771	826625374	/nfs/dbraw/zinc/62/53/74/826625374.db2.gz	YPFKCFKGJZKJEJ-KXBFYZLASA-N	1	0	359.495	1.849	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cn4cccc(C)c4n3)C[C@@H]2C1	ZINC001088140212	826628622	/nfs/dbraw/zinc/62/86/22/826628622.db2.gz	ZOCSPQNCFCEPOD-MSOLQXFVSA-N	1	0	350.466	1.989	20	30		FDEDRO
COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cnon4)C[C@@H]3C2)cc1C#N	ZINC001088145463	826706471	/nfs/dbraw/zinc/70/64/71/826706471.db2.gz	HBHXZZILLWIKGL-ZBFHGGJFSA-N	1	0	367.409	1.544	20	30		FDEDRO
O=C(Cc1ncc[nH]1)N1C[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)CC[C@@H]2C1	ZINC001088152004	826805531	/nfs/dbraw/zinc/80/55/31/826805531.db2.gz	HEPNFTGWDYEUKC-MSOLQXFVSA-N	1	0	366.440	1.923	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2CC)nc1	ZINC000985209527	826928589	/nfs/dbraw/zinc/92/85/89/826928589.db2.gz	CYRHYDGBTZNRPU-ZIFCJYIRSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2CC)cc1	ZINC000985229691	826966515	/nfs/dbraw/zinc/96/65/15/826966515.db2.gz	BDZLWVBDBCWRGM-RBUKOAKNSA-N	1	0	353.466	1.873	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)cc1	ZINC000897178208	827125239	/nfs/dbraw/zinc/12/52/39/827125239.db2.gz	DGTDSZUOEKIOSA-FQEVSTJZSA-N	1	0	363.461	1.687	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c(c3)C(=O)NC4=O)C[C@@H]2C1	ZINC001088174613	827221712	/nfs/dbraw/zinc/22/17/12/827221712.db2.gz	FZOUNCLDDQCPKX-CABCVRRESA-N	1	0	353.422	1.540	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc4c(c3)OCCO4)C[C@@H]2C1	ZINC001088191952	827385839	/nfs/dbraw/zinc/38/58/39/827385839.db2.gz	BPYYVQDEMRPWKA-MSOLQXFVSA-N	1	0	354.450	1.804	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cnnn4)c3)C[C@@H]2C1	ZINC001088196530	827408906	/nfs/dbraw/zinc/40/89/06/827408906.db2.gz	MHKSKJBDEAFZKL-SJORKVTESA-N	1	0	350.426	1.080	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3-n3cnnn3)C[C@@H]2C1	ZINC001088196997	827411902	/nfs/dbraw/zinc/41/19/02/827411902.db2.gz	LQLSWAURFGJFAT-CVEARBPZSA-N	1	0	352.442	1.632	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)[C@@]12CC[N@H+](C1)CCC2	ZINC000987532506	833200571	/nfs/dbraw/zinc/20/05/71/833200571.db2.gz	IFVPRPPHBFPYAH-WTANOLMUSA-N	1	0	355.442	1.091	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccnc(-n4cncn4)c3)C[C@@H]2C1	ZINC001088220027	827544450	/nfs/dbraw/zinc/54/44/50/827544450.db2.gz	ICYZNIFESDXXET-SJORKVTESA-N	1	0	352.442	1.632	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1	ZINC000121299290	827615454	/nfs/dbraw/zinc/61/54/54/827615454.db2.gz	KXBCFTMMNYBDPC-OAHLLOKOSA-N	1	0	368.437	1.862	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1	ZINC001088239187	827657154	/nfs/dbraw/zinc/65/71/54/827657154.db2.gz	OQHCGYZFRSQDJN-WCIQWLHISA-N	1	0	360.498	1.907	20	30		FDEDRO
C[NH+](C)C1CCN(CCNS(=O)(=O)c2cc(F)cc(C#N)c2)CC1	ZINC000866917047	827668807	/nfs/dbraw/zinc/66/88/07/827668807.db2.gz	DRARSYICLJYHMK-UHFFFAOYSA-N	1	0	354.451	1.002	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@@H](C[N@H+](C)Cc3ccccc3C#N)C2)C1	ZINC001029740825	827956085	/nfs/dbraw/zinc/95/60/85/827956085.db2.gz	AZQUOETXTFFEHV-JTDSTZFVSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1	ZINC000985492020	828012115	/nfs/dbraw/zinc/01/21/15/828012115.db2.gz	BKJAPZVNGXJBES-KGLIPLIRSA-N	1	0	350.381	1.832	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000985493041	828016343	/nfs/dbraw/zinc/01/63/43/828016343.db2.gz	IQTVWYNFRLZPMW-UKPHBRMFSA-N	1	0	357.458	1.480	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H](C[N@H+](C)Cc3ccc(C#N)cc3)C2)O1	ZINC001029767581	828031288	/nfs/dbraw/zinc/03/12/88/828031288.db2.gz	UXEAFCZFQMMTFP-LSTHTHJFSA-N	1	0	370.497	1.558	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1	ZINC000163263010	828226559	/nfs/dbraw/zinc/22/65/59/828226559.db2.gz	MCZYUQMNAJEXJH-UHFFFAOYSA-N	1	0	374.416	1.823	20	30		FDEDRO
CC[NH+](CC)CCNC(=O)c1ccc(OCC(=O)NC2(C#N)CCC2)cc1	ZINC000526126727	828855996	/nfs/dbraw/zinc/85/59/96/828855996.db2.gz	NNYMUQRLWZYYSI-UHFFFAOYSA-N	1	0	372.469	1.699	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C[C@@H]4CCNC4=O)[C@@H]3C2)cc1	ZINC001075874141	828986645	/nfs/dbraw/zinc/98/66/45/828986645.db2.gz	IRVIJRQZKWYTCL-OKZBNKHCSA-N	1	0	352.438	1.117	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([N@H+](C)CCn2cncn2)CC1	ZINC000985691859	828994855	/nfs/dbraw/zinc/99/48/55/828994855.db2.gz	GFOBNHIMJVDCAB-ROUUACIJSA-N	1	0	361.490	1.572	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]C[C@H](O)c1ccc(F)cc1	ZINC001168110241	829550788	/nfs/dbraw/zinc/55/07/88/829550788.db2.gz	RARBZDKEUUVXHR-BZSNNMDCSA-N	1	0	350.434	1.936	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[NH2+]C34CCC4)CC2)c(F)c1	ZINC000529365931	829849687	/nfs/dbraw/zinc/84/96/87/829849687.db2.gz	KPONKFJVYXUDPH-QGZVFWFLSA-N	1	0	357.433	1.814	20	30		FDEDRO
C#CCN1CCC[C@H]1COC(=O)CS[C@@H](C)C(=O)Nc1cc(C)on1	ZINC000729808972	837432143	/nfs/dbraw/zinc/43/21/43/837432143.db2.gz	HZJFTKBUVNUMQY-KBPBESRZSA-N	1	0	365.455	1.684	20	30		FDEDRO
C#CCN1CCC[C@@H]1COC(=O)c1cccc(S(=O)(=O)NCC=C)c1	ZINC000729809005	837432298	/nfs/dbraw/zinc/43/22/98/837432298.db2.gz	IBYWDCSRDXQDDO-MRXNPFEDSA-N	1	0	362.451	1.405	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4CC4(C)C)C[C@@H]3C2)CC1	ZINC000985975995	830227895	/nfs/dbraw/zinc/22/78/95/830227895.db2.gz	OKSBNUQDFZPYOS-QYZOEREBSA-N	1	0	371.525	1.685	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1	ZINC001059689918	830490523	/nfs/dbraw/zinc/49/05/23/830490523.db2.gz	ZIUIQWUUCIONDO-KURKYZTESA-N	1	0	365.518	1.664	20	30		FDEDRO
COC(=O)[C@@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@@H]1c1ccccc1	ZINC000451998896	830498234	/nfs/dbraw/zinc/49/82/34/830498234.db2.gz	CEIGPBVYEYUTTJ-QZTJIDSGSA-N	1	0	368.437	1.531	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)c2ccc(C#N)cn2)CC1	ZINC000531430406	830738363	/nfs/dbraw/zinc/73/83/63/830738363.db2.gz	QUJMISGNENFHNM-UHFFFAOYSA-N	1	0	357.458	1.310	20	30		FDEDRO
C=CCn1c(CNC(=O)c2ccco2)nnc1N(C)[C@H]1CC[N@@H+](C(C)C)C1	ZINC000453424104	830933522	/nfs/dbraw/zinc/93/35/22/830933522.db2.gz	HGMHQRJXXHUXBD-HNNXBMFYSA-N	1	0	372.473	1.906	20	30		FDEDRO
Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C#N)c(C)n2)[NH+](C)C)cc1	ZINC000453640321	830977598	/nfs/dbraw/zinc/97/75/98/830977598.db2.gz	QKXNPLQOOPPRKR-KRWDZBQOSA-N	1	0	365.437	1.928	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C)n2)C1	ZINC000453687783	831005850	/nfs/dbraw/zinc/00/58/50/831005850.db2.gz	GECGCTJKOMHUPE-INIZCTEOSA-N	1	0	373.457	1.160	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)Nc2cc(C)cc(C#N)c2)C1	ZINC000453705732	831028726	/nfs/dbraw/zinc/02/87/26/831028726.db2.gz	YHYGFYDDLAFPTM-SFHVURJKSA-N	1	0	372.469	1.765	20	30		FDEDRO
CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccc(C#N)c(C)n1	ZINC000453755113	831071291	/nfs/dbraw/zinc/07/12/91/831071291.db2.gz	WVWPOKUGIHXTLA-UHFFFAOYSA-N	1	0	357.458	1.925	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)ccc1C#N	ZINC000453761031	831073844	/nfs/dbraw/zinc/07/38/44/831073844.db2.gz	VFIADDAFTQJDFD-MRXNPFEDSA-N	1	0	369.400	1.758	20	30		FDEDRO
C=C(C)CCNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1	ZINC000453884897	831168784	/nfs/dbraw/zinc/16/87/84/831168784.db2.gz	JHKBORIIZPELEK-UHFFFAOYSA-N	1	0	360.414	1.177	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C1	ZINC000986283222	831429728	/nfs/dbraw/zinc/42/97/28/831429728.db2.gz	NAIYORQTJQJXFK-SQNIBIBYSA-N	1	0	370.497	1.546	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1	ZINC000986324354	831489570	/nfs/dbraw/zinc/48/95/70/831489570.db2.gz	OSXMWKGDHTVLLG-MOPGFXCFSA-N	1	0	369.509	1.583	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@@H]2C1	ZINC000986411278	831635517	/nfs/dbraw/zinc/63/55/17/831635517.db2.gz	ONDSPNGXKUWPMO-SVFBPWRDSA-N	1	0	369.509	1.581	20	30		FDEDRO
CC[C@@H](C(=O)N1C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CC[C@@H]2C1)[NH+](C)C	ZINC000986425287	831658003	/nfs/dbraw/zinc/65/80/03/831658003.db2.gz	NHPXSJYNVTUBDZ-KEYYUXOJSA-N	1	0	357.458	1.147	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@H](CCNC(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC001059730815	831994913	/nfs/dbraw/zinc/99/49/13/831994913.db2.gz	QUFWAKMFUPYWFB-IIAWOOMASA-N	1	0	357.458	1.195	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)CC)C[C@H]1C(F)(F)F	ZINC001112211896	832044918	/nfs/dbraw/zinc/04/49/18/832044918.db2.gz	BOFPQGICUKULQT-VXGBXAGGSA-N	1	0	356.410	1.366	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)[C@H]2C)nc1	ZINC000988845214	837608403	/nfs/dbraw/zinc/60/84/03/837608403.db2.gz	LWHBRLBQFAQDED-HFTRVMKXSA-N	1	0	354.454	1.266	20	30		FDEDRO
[NH2+]=C(NC[C@H]1CS(=O)(=O)c2ccccc21)N[C@@H]1CCOc2ccccc21	ZINC000263028761	832240422	/nfs/dbraw/zinc/24/04/22/832240422.db2.gz	AZUSZQFXJAYKNS-XJKSGUPXSA-N	1	0	371.462	1.986	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CCN(C(=O)C#CC3CC3)CC2)CC[N@@H+]1C	ZINC000986874044	832296078	/nfs/dbraw/zinc/29/60/78/832296078.db2.gz	NJHAECFDRMWJOB-AYOQOUSVSA-N	1	0	359.514	1.873	20	30		FDEDRO
CC#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1	ZINC001105438351	832336431	/nfs/dbraw/zinc/33/64/31/832336431.db2.gz	FANGBGOCKWWYSB-PSHVLCQKSA-N	1	0	367.493	1.540	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(C[C@H](c2cccc(OC)c2)[NH+]2CCCC2)C1=O	ZINC000348489501	832419251	/nfs/dbraw/zinc/41/92/51/832419251.db2.gz	VCARPNONKPMVNJ-QZTJIDSGSA-N	1	0	373.453	1.955	20	30		FDEDRO
C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)[C@@H]1C)n1cncn1	ZINC001088530722	832478618	/nfs/dbraw/zinc/47/86/18/832478618.db2.gz	IKIBNEPADFDNJA-RKVPGOIHSA-N	1	0	368.441	1.521	20	30		FDEDRO
CC[N@@H+]1C[C@H](C)N(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)C[C@H]1C	ZINC000475824934	832606377	/nfs/dbraw/zinc/60/63/77/832606377.db2.gz	KGQCAAJUCACWTP-JTDSTZFVSA-N	1	0	368.481	1.990	20	30		FDEDRO
C[C@@H](c1nc(-c2ccnc(OCC[NH+](C)C)c2)no1)n1cnc(C#N)n1	ZINC000350169265	833458831	/nfs/dbraw/zinc/45/88/31/833458831.db2.gz	OCLWSUHOHLQASQ-NSHDSACASA-N	1	0	354.374	1.144	20	30		FDEDRO
Cc1nn(C)cc1CC(=O)N1CC[C@H]2CN(Cc3ccc(C#N)s3)C[C@H]21	ZINC001075891000	833486005	/nfs/dbraw/zinc/48/60/05/833486005.db2.gz	DLTARLACYAYGKZ-KBXCAEBGSA-N	1	0	369.494	1.937	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C)C1	ZINC000987626933	833503553	/nfs/dbraw/zinc/50/35/53/833503553.db2.gz	ZIMLAZKLZVNXFU-VYDXJSESSA-N	1	0	371.485	1.728	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc(Cl)cn1)C2	ZINC001112537307	833663191	/nfs/dbraw/zinc/66/31/91/833663191.db2.gz	ZTADPZIKBDCMDJ-YJBOKZPZSA-N	1	0	364.877	1.405	20	30		FDEDRO
C=CCOCCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO	ZINC000666521487	833877041	/nfs/dbraw/zinc/87/70/41/833877041.db2.gz	GXWMKZWCXAFYBW-OALUTQOASA-N	1	0	361.486	1.761	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](CN(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000988185485	834208802	/nfs/dbraw/zinc/20/88/02/834208802.db2.gz	ZYZNHUPNHKMXCU-YVWKXTFCSA-N	1	0	367.493	1.929	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C)nc1	ZINC000988319023	834364561	/nfs/dbraw/zinc/36/45/61/834364561.db2.gz	BTBHLIRBHRUZFH-SRABZTEZSA-N	1	0	354.454	1.122	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000359883058	835040273	/nfs/dbraw/zinc/04/02/73/835040273.db2.gz	WYULBDVTKISYFH-DLBZAZTESA-N	1	0	361.417	1.901	20	30		FDEDRO
C[C@@H]1CN(Cc2c(C#N)cccc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000459373771	835189891	/nfs/dbraw/zinc/18/98/91/835189891.db2.gz	NCPXEUXYGCYPJN-QAPCUYQASA-N	1	0	357.458	1.924	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(CCOCC(F)(F)F)C[C@H]1OC	ZINC001211972326	835317485	/nfs/dbraw/zinc/31/74/85/835317485.db2.gz	IQZAAIDTXHUKDL-BFHYXJOUSA-N	1	0	368.396	1.362	20	30		FDEDRO
Cc1cc(NCCCN2CCNC(=O)C2)n2c3ccccc3nc2c1C#N	ZINC000532853947	835513622	/nfs/dbraw/zinc/51/36/22/835513622.db2.gz	QWDUZBUKNPXZSU-UHFFFAOYSA-N	1	0	362.437	1.901	20	30		FDEDRO
CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cc(C)nn1CCC#N)[NH+](C)C	ZINC000533003622	835620679	/nfs/dbraw/zinc/62/06/79/835620679.db2.gz	XWXBTOHMBXEBHE-OAHLLOKOSA-N	1	0	362.478	1.526	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)CC2CCN(C(=O)C#CC3CC3)CC2)CC[N@@H+]1C	ZINC000988529872	835772120	/nfs/dbraw/zinc/77/21/20/835772120.db2.gz	VRAYRQPWUWLDFE-RBUKOAKNSA-N	1	0	359.514	1.827	20	30		FDEDRO
C=CCN1CC[C@H](N2CC[C@H](NC(=O)c3cc4occc4[nH]3)[C@H]2C)C1=O	ZINC001088600293	835940043	/nfs/dbraw/zinc/94/00/43/835940043.db2.gz	HUZVDLREKNYHPY-WWGRRREGSA-N	1	0	356.426	1.740	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088603833	835987299	/nfs/dbraw/zinc/98/72/99/835987299.db2.gz	ZENOXDJIJXLMRR-HFTRVMKXSA-N	1	0	370.453	1.146	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccc(F)cc2)C[C@H]1OC	ZINC001212022604	836300760	/nfs/dbraw/zinc/30/07/60/836300760.db2.gz	YXVXTHVHMDTDPR-RCCFBDPRSA-N	1	0	350.434	1.511	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)C[C@H]1OC	ZINC001212032386	836347605	/nfs/dbraw/zinc/34/76/05/836347605.db2.gz	YGBAGBSXIPPBCF-RTBURBONSA-N	1	0	355.438	1.753	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000989065224	838261275	/nfs/dbraw/zinc/26/12/75/838261275.db2.gz	RZLCCVAKNUWOQK-DOMZBBRYSA-N	1	0	366.425	1.380	20	30		FDEDRO
CN(CC[NH+]1CCCC1)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000508691782	838351178	/nfs/dbraw/zinc/35/11/78/838351178.db2.gz	PYBVKZFTRPFQJM-SFHVURJKSA-N	1	0	369.469	1.791	20	30		FDEDRO
C[N@H+](CCCCNC(=O)N1CCN(c2ncccc2C#N)CC1)C1CC1	ZINC000455611407	838366935	/nfs/dbraw/zinc/36/69/35/838366935.db2.gz	MBNVLAFTRUWORC-UHFFFAOYSA-N	1	0	356.474	1.659	20	30		FDEDRO
C=CC[N@@H+](CCc1ccco1)C[C@@H](O)CN1C(=O)c2ccccc2C1=O	ZINC000272237611	838431236	/nfs/dbraw/zinc/43/12/36/838431236.db2.gz	FVMUQEJLBYEELZ-OAHLLOKOSA-N	1	0	354.406	1.967	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1	ZINC000272331162	838433635	/nfs/dbraw/zinc/43/36/35/838433635.db2.gz	NCJRXZHWSNLWEQ-PBHICJAKSA-N	1	0	370.453	1.094	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1cncnc1OC)C(C)C	ZINC000272941340	838439304	/nfs/dbraw/zinc/43/93/04/838439304.db2.gz	PAXTXGBCAGMGOR-HNNXBMFYSA-N	1	0	361.446	1.239	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H]2C)nc1	ZINC000989161076	838532486	/nfs/dbraw/zinc/53/24/86/838532486.db2.gz	FILGIWIHBVYEFJ-NXHRZFHOSA-N	1	0	368.481	1.657	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C)cn1	ZINC000989163839	838546510	/nfs/dbraw/zinc/54/65/10/838546510.db2.gz	IAUOJVYKMXNSIK-MNEFBYGVSA-N	1	0	368.481	1.657	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C)nc1	ZINC000989166862	838558272	/nfs/dbraw/zinc/55/82/72/838558272.db2.gz	NDFBRQLOWJTIJK-SRABZTEZSA-N	1	0	354.454	1.122	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCNC2=O)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088638646	838740258	/nfs/dbraw/zinc/74/02/58/838740258.db2.gz	NSBQCMYCWJTXIE-OLMNPRSZSA-N	1	0	370.453	1.194	20	30		FDEDRO
C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)CCO2	ZINC001105474573	838938643	/nfs/dbraw/zinc/93/86/43/838938643.db2.gz	LMKZHLZYVDTRKC-BOHSKOPMSA-N	1	0	365.518	1.411	20	30		FDEDRO
COc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cnc[nH]c3=O)[C@H]2C)cc1C#N	ZINC001088649171	838991446	/nfs/dbraw/zinc/99/14/46/838991446.db2.gz	NELGSURSXQCVPE-WBMJQRKESA-N	1	0	367.409	1.455	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N(C)C[C@H]1CC[N@H+](C)C1	ZINC000460018017	839212176	/nfs/dbraw/zinc/21/21/76/839212176.db2.gz	HTXZMMUUVKKHTL-KRWDZBQOSA-N	1	0	359.470	1.620	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1	ZINC000989289251	839285169	/nfs/dbraw/zinc/28/51/69/839285169.db2.gz	BDRWPVMZBWBYCV-FJIDUMEYSA-N	1	0	365.518	1.661	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)[C@H]1C	ZINC001088662942	839505032	/nfs/dbraw/zinc/50/50/32/839505032.db2.gz	IPOWBJSNEWBOGY-RQJABVFESA-N	1	0	350.381	1.878	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3CCOCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105584169	839993749	/nfs/dbraw/zinc/99/37/49/839993749.db2.gz	FAPAQKDTXUYZDR-XSYGEPLQSA-N	1	0	350.503	1.955	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(C)c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105593857	840296945	/nfs/dbraw/zinc/29/69/45/840296945.db2.gz	HHOSAIXHDMQETJ-MLYOOKFZSA-N	1	0	358.486	1.332	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105593813	840308293	/nfs/dbraw/zinc/30/82/93/840308293.db2.gz	GRPLAOMVYOBHOI-MLYOOKFZSA-N	1	0	359.470	1.244	20	30		FDEDRO
C=CCOc1ccc(C[NH2+]CCS(=O)(=O)N2CCCC2)cc1OC	ZINC000897832690	840474717	/nfs/dbraw/zinc/47/47/17/840474717.db2.gz	VBNGUNYYOJPSDG-UHFFFAOYSA-N	1	0	354.472	1.775	20	30		FDEDRO
Cn1nc(C2CC2)cc1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O	ZINC001083499866	844548434	/nfs/dbraw/zinc/54/84/34/844548434.db2.gz	SNRHNFRDRKKAPU-MJGOQNOKSA-N	1	0	365.437	1.144	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N1CCC(CC)([NH+]2CCCCC2)CC1	ZINC000897943567	840614598	/nfs/dbraw/zinc/61/45/98/840614598.db2.gz	SGSQVICZQVKKTP-UHFFFAOYSA-N	1	0	365.518	1.952	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCSC)[C@H]2C(C)C)C[C@H]1O	ZINC001105598796	840780286	/nfs/dbraw/zinc/78/02/86/840780286.db2.gz	XCQMCLBXQDPJPT-FPAYPSAMSA-N	1	0	370.559	1.908	20	30		FDEDRO
C=CCc1cc(C[NH2+][C@H]2CCN(c3cc(=O)[nH]cn3)C2)cc(OC)c1O	ZINC000898155841	840834694	/nfs/dbraw/zinc/83/46/94/840834694.db2.gz	SNQSPVPWOBHQKB-HNNXBMFYSA-N	1	0	356.426	1.993	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH2+][C@H]2CCN(c3cc(=O)[nH]cn3)C2)cc1	ZINC000898158879	840838827	/nfs/dbraw/zinc/83/88/27/840838827.db2.gz	HCJXNBAMVVIRNC-INIZCTEOSA-N	1	0	352.442	1.901	20	30		FDEDRO
C#CC[N@H+](C)CCCNc1c(I)cncc1[N+](=O)[O-]	ZINC000842043222	840884224	/nfs/dbraw/zinc/88/42/24/840884224.db2.gz	HSCWTEFUEATTPJ-UHFFFAOYSA-N	1	0	374.182	1.383	20	30		FDEDRO
CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CSCC#N)[C@@H]2C(C)C)C[C@H]1O	ZINC001105601258	841045284	/nfs/dbraw/zinc/04/52/84/841045284.db2.gz	VJSJCYPMWSLRDG-AHCXZYCDSA-N	1	0	369.531	1.246	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ncc(Br)cn2)CC1	ZINC000898380057	841064948	/nfs/dbraw/zinc/06/49/48/841064948.db2.gz	LBYJKKCQDYUPIP-UHFFFAOYSA-N	1	0	352.236	1.136	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2occc2C[NH+](C)C)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000989538179	841152431	/nfs/dbraw/zinc/15/24/31/841152431.db2.gz	DSPWHSOKMZRKSQ-DOMZBBRYSA-N	1	0	369.425	1.574	20	30		FDEDRO
C=CCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3nccn3C)C2)[C@@H]1C(C)C	ZINC001105603715	841178623	/nfs/dbraw/zinc/17/86/23/841178623.db2.gz	OMAGGVDHPUIIIF-YAJHFMINSA-N	1	0	360.502	1.852	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc[nH]n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105604309	841183442	/nfs/dbraw/zinc/18/34/42/841183442.db2.gz	SQSDAQSHEKASJE-MTNOOBJLSA-N	1	0	362.474	1.192	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CNC(=O)C3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105604521	841184729	/nfs/dbraw/zinc/18/47/29/841184729.db2.gz	UNERHHYSGABCMJ-CIWUYKSXSA-N	1	0	363.502	1.055	20	30		FDEDRO
C=CCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)N(C)C)C2)[C@H]1C(C)C	ZINC001105606980	841211194	/nfs/dbraw/zinc/21/11/94/841211194.db2.gz	JMUPAVGWDOSCRQ-OHDICMOHSA-N	1	0	351.491	1.007	20	30		FDEDRO
C=CCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnn(C)c3)C2)[C@H]1C(C)C	ZINC001105607266	841224366	/nfs/dbraw/zinc/22/43/66/841224366.db2.gz	ONWWUOGLKHRSOU-LFGUQSLTSA-N	1	0	360.502	1.852	20	30		FDEDRO
C=CCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NCCC)C2)[C@H]1C(C)C	ZINC001105607724	841232638	/nfs/dbraw/zinc/23/26/38/841232638.db2.gz	WTEXBMSFDGEPQQ-XNFNUYLZSA-N	1	0	365.518	1.445	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCC3CC3)C2)[C@H]1C(C)C	ZINC001105609882	841451716	/nfs/dbraw/zinc/45/17/16/841451716.db2.gz	CUTRSTWCKGOWMG-HNBVOPMISA-N	1	0	350.503	1.955	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)CN2CCCCC2=O)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088698034	841704005	/nfs/dbraw/zinc/70/40/05/841704005.db2.gz	XTHVDAIJBWOHSW-QAPCUYQASA-N	1	0	354.454	1.650	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3CCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105610811	841728310	/nfs/dbraw/zinc/72/83/10/841728310.db2.gz	NVLZJBHAFMFXCT-RMVXJAJNSA-N	1	0	362.514	1.793	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)[C@H]2C)cc1	ZINC000990003736	841790550	/nfs/dbraw/zinc/79/05/50/841790550.db2.gz	ZKCLNVVSJBHTPM-FCEWJHQRSA-N	1	0	353.466	1.871	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncoc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105611504	841889471	/nfs/dbraw/zinc/88/94/71/841889471.db2.gz	SBNVPURHGZXPAP-CWLMSFPYSA-N	1	0	359.470	1.840	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@@H]1C(C)C	ZINC001105613854	842225055	/nfs/dbraw/zinc/22/50/55/842225055.db2.gz	CKFLLOBEJBKZKG-IZBJGVDFSA-N	1	0	368.518	1.582	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)/C(C)=C\C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105614597	842227563	/nfs/dbraw/zinc/22/75/63/842227563.db2.gz	IWOMLZSDLAOYOF-SPNYLXCPSA-N	1	0	363.502	1.221	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)/C(C)=C\C)[C@H]2C(C)C)C[C@H]1O	ZINC001105614594	842227753	/nfs/dbraw/zinc/22/77/53/842227753.db2.gz	IWOMLZSDLAOYOF-LNXFIUFJSA-N	1	0	363.502	1.221	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3oc(C)nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105615013	842228472	/nfs/dbraw/zinc/22/84/72/842228472.db2.gz	NIXRRZPAEABHRV-CIWUYKSXSA-N	1	0	359.470	1.894	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(F)nc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105615150	842229305	/nfs/dbraw/zinc/22/93/05/842229305.db2.gz	PPIIHCNUGUWRGS-HBXLWWENSA-N	1	0	359.445	1.824	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(F)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619838	842240007	/nfs/dbraw/zinc/24/00/07/842240007.db2.gz	RSHKKEBJRWGFKB-MLYOOKFZSA-N	1	0	359.445	1.824	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)ncn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105620117	842241952	/nfs/dbraw/zinc/24/19/52/842241952.db2.gz	WTAOOKAFWIGKBP-FTEYMNFISA-N	1	0	356.470	1.388	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nccc(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105622591	842248423	/nfs/dbraw/zinc/24/84/23/842248423.db2.gz	DHHJXTDHMBFRTL-VIPLHTEESA-N	1	0	356.470	1.388	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(=O)NCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105623214	842250653	/nfs/dbraw/zinc/25/06/53/842250653.db2.gz	OFGFEKJJMREXEP-DTDBQYNISA-N	1	0	371.909	1.231	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nn(C)cc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105626958	842258933	/nfs/dbraw/zinc/25/89/33/842258933.db2.gz	JUUVKTJWEDTRNL-HBXLWWENSA-N	1	0	358.486	1.332	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(C)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105628331	842260980	/nfs/dbraw/zinc/26/09/80/842260980.db2.gz	URFJLQJZIIYIGO-MXHNKVEKSA-N	1	0	363.502	1.055	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(C)C(=O)C(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105631348	842264226	/nfs/dbraw/zinc/26/42/26/842264226.db2.gz	ACOLLHCLTPSASB-ZTRFORPCSA-N	1	0	365.518	1.253	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3nccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105631489	842264665	/nfs/dbraw/zinc/26/46/65/842264665.db2.gz	CZXNQRZVPAFYGW-RWQQGDIJSA-N	1	0	361.490	1.210	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCC=C)C2)[C@H]1C(C)C	ZINC001105631464	842264883	/nfs/dbraw/zinc/26/48/83/842264883.db2.gz	CMZFTAOLQQHXAR-VURPSTOHSA-N	1	0	362.514	1.959	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cnccc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105637275	842270923	/nfs/dbraw/zinc/27/09/23/842270923.db2.gz	MMOFBJSLXOPIDS-KRXUUXHPSA-N	1	0	369.509	1.922	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCC3CCCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637864	842274533	/nfs/dbraw/zinc/27/45/33/842274533.db2.gz	WTDFJQJCVHGQQF-UKAVVXHISA-N	1	0	362.514	1.793	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH]nc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105638015	842275484	/nfs/dbraw/zinc/27/54/84/842275484.db2.gz	YSRIGMDRBLCJHF-MLYOOKFZSA-N	1	0	358.486	1.575	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3ccncn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105633942	842283435	/nfs/dbraw/zinc/28/34/35/842283435.db2.gz	YAPLAEVOOJJEOB-RMVXJAJNSA-N	1	0	370.497	1.399	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cncc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105642077	842301760	/nfs/dbraw/zinc/30/17/60/842301760.db2.gz	HMMOCUBUUJEPLT-JYBIWHBTSA-N	1	0	358.486	1.181	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cncc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105643417	842335540	/nfs/dbraw/zinc/33/55/40/842335540.db2.gz	XYKHUJZTFGUFNJ-JYBIWHBTSA-N	1	0	358.486	1.181	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@H]1C(C)C	ZINC001105645439	842395263	/nfs/dbraw/zinc/39/52/63/842395263.db2.gz	AQMVPBAVKYDPOJ-LFGUQSLTSA-N	1	0	350.503	1.529	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)cnn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105645761	842395776	/nfs/dbraw/zinc/39/57/76/842395776.db2.gz	CQHPHFCAXQYKAR-ZTRFORPCSA-N	1	0	358.486	1.332	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)COC)[C@H]2C(C)C)C[C@H]1O	ZINC001105646338	842405569	/nfs/dbraw/zinc/40/55/69/842405569.db2.gz	IUCLUFDJYKLZOU-WWNBULGVSA-N	1	0	350.503	1.648	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)COCC(F)F)[C@@H]2C(C)C)C[C@H]1O	ZINC001105646395	842406983	/nfs/dbraw/zinc/40/69/83/842406983.db2.gz	JIHQNUAMHCEXNV-DTTOXWODSA-N	1	0	360.445	1.810	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCF)[C@@H]2C(C)C)C[C@H]1O	ZINC001105653452	842454942	/nfs/dbraw/zinc/45/49/42/842454942.db2.gz	VBWLYKLQJXVHQC-RWQQGDIJSA-N	1	0	356.482	1.905	20	30		FDEDRO
CCC1(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CC#CCOC)C3)[C@@H]2C(C)C)CC1	ZINC001105654786	842475783	/nfs/dbraw/zinc/47/57/83/842475783.db2.gz	BQLGLLNQTUHRMZ-WIRSXHRWSA-N	1	0	362.514	1.793	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cccnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105655894	842480579	/nfs/dbraw/zinc/48/05/79/842480579.db2.gz	LUZYSCPBLNRWQV-CZAYHTPWSA-N	1	0	369.509	1.922	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3conc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105655064	842482557	/nfs/dbraw/zinc/48/25/57/842482557.db2.gz	DZRZUMYWDFOLCW-FTEYMNFISA-N	1	0	359.470	1.840	20	30		FDEDRO
C=CCCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@H]1C(C)C	ZINC001105659806	842505457	/nfs/dbraw/zinc/50/54/57/842505457.db2.gz	QOEYEBRAIQJTCH-RGCFKVTRSA-N	1	0	351.491	1.055	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088721209	842519541	/nfs/dbraw/zinc/51/95/41/842519541.db2.gz	GGMLUZDYDLBEIH-OLMNPRSZSA-N	1	0	369.469	1.428	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(F)cc2C)C[C@@H]1O	ZINC001083470602	842633365	/nfs/dbraw/zinc/63/33/65/842633365.db2.gz	BKFSXSKQVNOJBO-YRXWBPOGSA-N	1	0	362.445	1.777	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCCCN2C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC000990527560	842670847	/nfs/dbraw/zinc/67/08/47/842670847.db2.gz	SQQWQXHYTYZBKV-HYVNUMGLSA-N	1	0	371.485	1.680	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)nc(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105661313	842707293	/nfs/dbraw/zinc/70/72/93/842707293.db2.gz	HFGLRUXLERNWKP-ANTGDGSKSA-N	1	0	370.497	1.696	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3ncccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105661557	842716968	/nfs/dbraw/zinc/71/69/68/842716968.db2.gz	KDMKIHWKYORFEY-DGQTTZFYSA-N	1	0	370.497	1.399	20	30		FDEDRO
COc1coc(C(=O)N[C@H]2CCN(CC#Cc3ccccc3)[C@@H]2C)cc1=O	ZINC001088747614	842788989	/nfs/dbraw/zinc/78/89/89/842788989.db2.gz	NHPFTQFMFFJZCB-WBVHZDCISA-N	1	0	366.417	1.893	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(=O)N(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105663862	842858901	/nfs/dbraw/zinc/85/89/01/842858901.db2.gz	VWJQDUFVSZCFKV-XNFNUYLZSA-N	1	0	365.518	1.397	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncccc3F)[C@H]2C(C)C)C[C@H]1O	ZINC001105664208	842887350	/nfs/dbraw/zinc/88/73/50/842887350.db2.gz	XABWZJWYJRJNEC-ZTRFORPCSA-N	1	0	359.445	1.824	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCCCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105665743	843016904	/nfs/dbraw/zinc/01/69/04/843016904.db2.gz	BURDDBHWSWZKHL-LFGUQSLTSA-N	1	0	366.502	1.029	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCCCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105665738	843017521	/nfs/dbraw/zinc/01/75/21/843017521.db2.gz	BURDDBHWSWZKHL-IZBJGVDFSA-N	1	0	366.502	1.029	20	30		FDEDRO
C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@H]3CCC[C@H]3C#N)c2)CC1	ZINC000461776301	843151090	/nfs/dbraw/zinc/15/10/90/843151090.db2.gz	XSUXLOCVTITYMG-WMZOPIPTSA-N	1	0	369.469	1.181	20	30		FDEDRO
Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2C#N)c(OCC[NH+](C)C)c1	ZINC000461764656	843157026	/nfs/dbraw/zinc/15/70/26/843157026.db2.gz	ATIPLGFWYQSUCD-HUUCEWRRSA-N	1	0	358.442	1.682	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N[C@H]2CCC[C@H]2C#N)CC1	ZINC000461952682	843248307	/nfs/dbraw/zinc/24/83/07/843248307.db2.gz	GMWFKWCXONKEGT-HOTGVXAUSA-N	1	0	363.506	1.605	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N[C@@H]2CCC[C@@H]2C#N)CC1	ZINC000461952683	843248738	/nfs/dbraw/zinc/24/87/38/843248738.db2.gz	GMWFKWCXONKEGT-HZPDHXFCSA-N	1	0	363.506	1.605	20	30		FDEDRO
C[C@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(C#N)c1	ZINC000462035681	843291212	/nfs/dbraw/zinc/29/12/12/843291212.db2.gz	XNEVGDFDSJLFFJ-YJBOKZPZSA-N	1	0	356.470	1.721	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ncc[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105666700	843293838	/nfs/dbraw/zinc/29/38/38/843293838.db2.gz	ILTYPMHQKBOYON-XNFNUYLZSA-N	1	0	360.502	1.885	20	30		FDEDRO
C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1	ZINC000667267204	843464908	/nfs/dbraw/zinc/46/49/08/843464908.db2.gz	BOUJPRLKMGGNDP-AWEZNQCLSA-N	1	0	353.447	1.907	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3nonc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105667064	843482338	/nfs/dbraw/zinc/48/23/38/843482338.db2.gz	NMDHCVDZNFPJCA-FPAYPSAMSA-N	1	0	362.474	1.463	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(Cl)no3)[C@H]2C(C)C)C[C@H]1O	ZINC001105667300	843614291	/nfs/dbraw/zinc/61/42/91/843614291.db2.gz	ALFFMXVSZFTJMA-GQGSAGHOSA-N	1	0	365.861	1.931	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncccc3OC)[C@H]2C(C)C)C[C@H]1O	ZINC001105667466	843638443	/nfs/dbraw/zinc/63/84/43/843638443.db2.gz	BKUVXALUZCKLHL-IIZJSDIPSA-N	1	0	371.481	1.693	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCCC(N)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105668027	843749187	/nfs/dbraw/zinc/74/91/87/843749187.db2.gz	VXHPRAXYYFANCJ-VVWQDTPRSA-N	1	0	351.491	1.184	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH]nc3C3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105668439	843795276	/nfs/dbraw/zinc/79/52/76/843795276.db2.gz	XOIXGYODRJEUER-ZJSJBZJDSA-N	1	0	370.497	1.890	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3nnc[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105668448	843796603	/nfs/dbraw/zinc/79/66/03/843796603.db2.gz	XWPGCUGQIHRYBR-LTDCPUDJSA-N	1	0	361.490	1.280	20	30		FDEDRO
CC1(C)CC[N@H+](CCNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000898591383	844890177	/nfs/dbraw/zinc/89/01/77/844890177.db2.gz	ROXZUJUDRNUULI-INIZCTEOSA-N	1	0	357.458	1.848	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)NC1(CNC(=O)OC(C)(C)C)CCOCC1	ZINC000913160433	861542378	/nfs/dbraw/zinc/54/23/78/861542378.db2.gz	ZIIIJIOOJZXTSA-UHFFFAOYSA-N	1	0	355.479	1.684	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCC(N)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105672737	845209017	/nfs/dbraw/zinc/20/90/17/845209017.db2.gz	BBKQPXIDFFIBCX-VVWQDTPRSA-N	1	0	351.491	1.184	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCOCCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105673504	845385328	/nfs/dbraw/zinc/38/53/28/845385328.db2.gz	MHZBITDSMKSTOP-PSBWJHGTSA-N	1	0	354.491	1.192	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@@H]1C(C)C	ZINC001105674061	845418660	/nfs/dbraw/zinc/41/86/60/845418660.db2.gz	RYIKZKHVUMDAKL-ZAWLATJESA-N	1	0	354.491	1.192	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CN(c4ccccn4)C[C@H]3C)CCC[C@@H]12	ZINC000990743452	845493725	/nfs/dbraw/zinc/49/37/25/845493725.db2.gz	RTRAGLUWFDQGNE-IKVWTGGYSA-N	1	0	352.482	1.900	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCOCC(C)C)C2	ZINC001112267733	845725449	/nfs/dbraw/zinc/72/54/49/845725449.db2.gz	DJSWKGWTGVBDCE-PXNSSMCTSA-N	1	0	363.502	1.017	20	30		FDEDRO
CN(C)c1ccc([C@H](CNC(=O)N2CC[C@](O)(CC#N)C2)[NH+](C)C)cc1	ZINC000899097958	845759053	/nfs/dbraw/zinc/75/90/53/845759053.db2.gz	JLKQMCKAEJOSEU-PKOBYXMFSA-N	1	0	359.474	1.415	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CNC(=O)C3CCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105675967	845802303	/nfs/dbraw/zinc/80/23/03/845802303.db2.gz	SMYXGAOQAAFFCY-ZTRFORPCSA-N	1	0	363.502	1.055	20	30		FDEDRO
C#CC[C@H]1NC(=O)N(CCCC[NH+]2CCN(c3cccc(C)c3)CC2)C1=O	ZINC000842236549	845856730	/nfs/dbraw/zinc/85/67/30/845856730.db2.gz	PLKKCLBWTJFPLR-LJQANCHMSA-N	1	0	368.481	1.841	20	30		FDEDRO
C#CC[C@@H]1NC(=O)N(CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1=O	ZINC000842240449	845883883	/nfs/dbraw/zinc/88/38/83/845883883.db2.gz	RDEPOEXKEFJTGK-KRWDZBQOSA-N	1	0	374.872	1.796	20	30		FDEDRO
COc1nccc(C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)n1	ZINC001076025523	847076314	/nfs/dbraw/zinc/07/63/14/847076314.db2.gz	BIESUKNPXQGAGF-FUHWJXTLSA-N	1	0	363.421	1.703	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCCN(C)C4=O)C[C@H]32)cc1	ZINC001076119468	847315543	/nfs/dbraw/zinc/31/55/43/847315543.db2.gz	LWLZSHMSBSNNKB-GBESFXJTSA-N	1	0	351.450	1.435	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N3C[C@@]4(C)C[NH+](C)C[C@]4(C)C3)CC2)o1	ZINC000913281377	861793165	/nfs/dbraw/zinc/79/31/65/861793165.db2.gz	PHMAVKGZNSAWOD-WOJBJXKFSA-N	1	0	371.485	1.871	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N3C[C@]4(C)C[N@@H+](C)C[C@]4(C)C3)CC2)o1	ZINC000913281375	861793792	/nfs/dbraw/zinc/79/37/92/861793792.db2.gz	PHMAVKGZNSAWOD-BGYRXZFFSA-N	1	0	371.485	1.871	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)CCCOC)C3)C1=O	ZINC001112271058	847557394	/nfs/dbraw/zinc/55/73/94/847557394.db2.gz	YFSPQSJEOJSNST-QKLQHJQFSA-N	1	0	363.502	1.418	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+](CCn4nc(C)cc4C)C[C@H]32)c1	ZINC001076223054	847589161	/nfs/dbraw/zinc/58/91/61/847589161.db2.gz	GCBYBLVEZASGGX-AZUAARDMSA-N	1	0	363.465	1.723	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C)nn4CC)[C@@H]3C2)C1=O	ZINC001076278652	847732830	/nfs/dbraw/zinc/73/28/30/847732830.db2.gz	SGHRMJXQVNYPNY-LZLYRXPVSA-N	1	0	371.485	1.145	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4nc(C)oc4C)[C@@H]3C2)C1=O	ZINC001076395465	848038196	/nfs/dbraw/zinc/03/81/96/848038196.db2.gz	XDTQUZGGIKZPGL-HRCADAONSA-N	1	0	358.442	1.225	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CCn4nc(C)nc4C)C[C@H]32)nc1	ZINC001076476161	848240457	/nfs/dbraw/zinc/24/04/57/848240457.db2.gz	YXTVDOSRMWDMJG-PKOBYXMFSA-N	1	0	364.453	1.118	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(Cc4ccc(F)cn4)C[C@H]32)cn1	ZINC001076476810	848241756	/nfs/dbraw/zinc/24/17/56/848241756.db2.gz	CQIPTFADHBDPEW-HNAYVOBHSA-N	1	0	350.397	1.944	20	30		FDEDRO
CC(=O)N1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001076479153	848248465	/nfs/dbraw/zinc/24/84/65/848248465.db2.gz	LKLLOBPQZNUCCY-SLFFLAALSA-N	1	0	366.465	1.602	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ncccc4OC)[C@@H]3C2)C1=O	ZINC001076500167	848291742	/nfs/dbraw/zinc/29/17/42/848291742.db2.gz	XZEGAPOMNLQTKH-HRCADAONSA-N	1	0	370.453	1.023	20	30		FDEDRO
Cc1nc[nH]c1C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21	ZINC001076644619	848644901	/nfs/dbraw/zinc/64/49/01/848644901.db2.gz	RHXQTMIKQPEAAP-FUHWJXTLSA-N	1	0	365.437	1.967	20	30		FDEDRO
C=C[C@](C)(O)C(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1	ZINC000668113433	848658092	/nfs/dbraw/zinc/65/80/92/848658092.db2.gz	QKFXKHVFPPZKJG-FQEVSTJZSA-N	1	0	362.470	1.729	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1	ZINC001076725176	848851455	/nfs/dbraw/zinc/85/14/55/848851455.db2.gz	HJTSDWOZAKZUJY-LNLFQRSKSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C	ZINC001076740245	848912982	/nfs/dbraw/zinc/91/29/82/848912982.db2.gz	LROHHHRHLGRIOK-BBWFWOEESA-N	1	0	367.534	1.957	20	30		FDEDRO
COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)cc1C#N	ZINC001076852721	849204862	/nfs/dbraw/zinc/20/48/62/849204862.db2.gz	GTDMOIOQKMTQHP-MUDKKEKZSA-N	1	0	355.438	1.274	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](Cc3ccc4ncccc4c3)C[C@H]2O)c1	ZINC001076855672	849213589	/nfs/dbraw/zinc/21/35/89/849213589.db2.gz	HGSVDFBHHBUEJO-RTBURBONSA-N	1	0	361.405	1.410	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1O	ZINC001076986041	849476801	/nfs/dbraw/zinc/47/68/01/849476801.db2.gz	HXIMBPKATLWFBQ-CEXWTWQISA-N	1	0	356.470	1.092	20	30		FDEDRO
C=C(Cl)C[C@H](NC(=O)CCN1CC[NH+](C(C)C)CC1)C(=O)OCC	ZINC000913437073	862048358	/nfs/dbraw/zinc/04/83/58/862048358.db2.gz	BTSQPQUYPJSGRO-HNNXBMFYSA-N	1	0	359.898	1.593	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O	ZINC001077132180	849860720	/nfs/dbraw/zinc/86/07/20/849860720.db2.gz	REVPWTINEANVJL-NJDAHSKKSA-N	1	0	369.509	1.462	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)cc1	ZINC001077396245	850818256	/nfs/dbraw/zinc/81/82/56/850818256.db2.gz	WFNUVNNCVSBECW-RTBURBONSA-N	1	0	361.405	1.181	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1	ZINC000904966189	851560412	/nfs/dbraw/zinc/56/04/12/851560412.db2.gz	HMSUPOQVCWBAKG-NEPJUHHUSA-N	1	0	374.388	1.316	20	30		FDEDRO
CCOC(=O)C1CCC(O)(C[C@@H](O)C[NH2+]CC#Cc2ccccc2)CC1	ZINC000905030801	851628549	/nfs/dbraw/zinc/62/85/49/851628549.db2.gz	JUUOPVBSEHLKEI-OBXNSHGQSA-N	1	0	359.466	1.863	20	30		FDEDRO
C[C@](O)(C[NH2+]CCNC(=O)C1N=CC=CC1=O)C(F)(F)C(F)(F)F	ZINC000905103737	851661925	/nfs/dbraw/zinc/66/19/25/851661925.db2.gz	LPGUAOAFRWYEAP-USKTWTLRSA-N	1	0	357.279	1.051	20	30		FDEDRO
C#C[C@@H]([NH2+]C[C@@H](O)COc1cn(-c2ccccc2)nc1C(=O)OC)C(C)C	ZINC000905245885	851770354	/nfs/dbraw/zinc/77/03/54/851770354.db2.gz	YCEHKHATDFLVJQ-IAGOWNOFSA-N	1	0	371.437	1.646	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1	ZINC000905355324	851853416	/nfs/dbraw/zinc/85/34/16/851853416.db2.gz	CBPIXSHSIFCFSI-QGZVFWFLSA-N	1	0	363.483	1.966	20	30		FDEDRO
CC(C)n1ncc(C(=O)NCC#CC[NH+](C)C)c1I	ZINC000913525291	862291837	/nfs/dbraw/zinc/29/18/37/862291837.db2.gz	QRUBUWOHGGHQFU-UHFFFAOYSA-N	1	0	374.226	1.363	20	30		FDEDRO
N#Cc1ccc(N[C@@H]2CCCN(S(=O)(=O)CC3CC[NH2+]CC3)C2)nc1	ZINC000905361434	851861552	/nfs/dbraw/zinc/86/15/52/851861552.db2.gz	FVAZSDBWHBYDAL-MRXNPFEDSA-N	1	0	363.487	1.159	20	30		FDEDRO
CSCC[C@@H](C(=O)NCC#CC[NH+](C)C)N1C(=O)c2ccccc2C1=O	ZINC000913514652	862292930	/nfs/dbraw/zinc/29/29/30/862292930.db2.gz	XVYYSAJIYTZDQB-INIZCTEOSA-N	1	0	373.478	1.086	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12	ZINC000913517934	862300005	/nfs/dbraw/zinc/30/00/05/862300005.db2.gz	WQFHMGHMGCVWCJ-KRWDZBQOSA-N	1	0	370.478	1.364	20	30		FDEDRO
COc1ccc(-c2noc(CCCC(=O)NCC#CC[NH+](C)C)n2)cc1	ZINC000913517079	862300974	/nfs/dbraw/zinc/30/09/74/862300974.db2.gz	RKKAUFVWXXHYBJ-UHFFFAOYSA-N	1	0	356.426	1.749	20	30		FDEDRO
CCOC(=O)N1[C@@H](C(=O)NCC#CC[NH+](C)C)CC[C@@H]1c1ccc(C)o1	ZINC000913518902	862302308	/nfs/dbraw/zinc/30/23/08/862302308.db2.gz	FWPBWGPBCLYQFM-HZPDHXFCSA-N	1	0	361.442	1.931	20	30		FDEDRO
COc1ccc([C@@H]2[C@@H](C(=O)NCC#CC[NH+](C)C)CCC(=O)N2C)cc1	ZINC000913519286	862305217	/nfs/dbraw/zinc/30/52/17/862305217.db2.gz	USMMZWMDNHPGDY-PKOBYXMFSA-N	1	0	357.454	1.286	20	30		FDEDRO
CS(=O)(=O)c1ccccc1CC[NH2+]C[C@H](O)COc1ccccc1C#N	ZINC000905558282	852034619	/nfs/dbraw/zinc/03/46/19/852034619.db2.gz	ZAFMYXIBDSNNPH-KRWDZBQOSA-N	1	0	374.462	1.534	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@]1(C#N)CC2CCC1CC2	ZINC000906504261	852972166	/nfs/dbraw/zinc/97/21/66/852972166.db2.gz	CYLRBZJPIAPMFN-TXTJOAKRSA-N	1	0	360.502	1.765	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CCNS(=O)(=O)c2ccc(C#N)cn2)cc1	ZINC000906919639	853557274	/nfs/dbraw/zinc/55/72/74/853557274.db2.gz	NRVFUDAPHWZUAI-UHFFFAOYSA-N	1	0	374.466	1.415	20	30		FDEDRO
C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1c(C#N)sc2ccccc21	ZINC000907064388	853770068	/nfs/dbraw/zinc/77/00/68/853770068.db2.gz	FGEMUYZGFVGSPT-HNNXBMFYSA-N	1	0	353.469	1.364	20	30		FDEDRO
N#Cc1ccc([C@@H]2CN(S(=O)(=O)CCC[NH+]3CCCC3)CCO2)cc1	ZINC000907510584	854282575	/nfs/dbraw/zinc/28/25/75/854282575.db2.gz	ZCFGCDICRQIFFN-SFHVURJKSA-N	1	0	363.483	1.747	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1	ZINC000907513494	854334080	/nfs/dbraw/zinc/33/40/80/854334080.db2.gz	YHPSLEJLMCRMAK-UHFFFAOYSA-N	1	0	363.409	1.713	20	30		FDEDRO
CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)C23CC[NH+](CC2)C3)C1=O	ZINC000907882529	854756444	/nfs/dbraw/zinc/75/64/44/854756444.db2.gz	LTUYYTRJYHZRLJ-QGZVFWFLSA-N	1	0	350.463	1.784	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1cccc(C#N)c1)CC2	ZINC000991116846	855134305	/nfs/dbraw/zinc/13/43/05/855134305.db2.gz	JHGHAEHRMIXGIY-DZJZLKLXSA-N	1	0	369.465	1.975	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N[C@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2	ZINC000991121259	855144152	/nfs/dbraw/zinc/14/41/52/855144152.db2.gz	SOYYGRDNWOCOLX-UFGBVDADSA-N	1	0	368.477	1.955	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC2)c1C#N	ZINC000908284334	855267349	/nfs/dbraw/zinc/26/73/49/855267349.db2.gz	CFJVBUDXQYCMNK-GOEBONIOSA-N	1	0	359.499	1.989	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)c3ccnn3CC[NH+](C)C)CC2)c1C#N	ZINC000908284410	855267518	/nfs/dbraw/zinc/26/75/18/855267518.db2.gz	FEDRRGBWNBOALQ-UHFFFAOYSA-N	1	0	373.486	1.044	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H](C)n1cnc2c1ncnc2N)C(C)C	ZINC000668683335	855430102	/nfs/dbraw/zinc/43/01/02/855430102.db2.gz	VGTYCWSDDZHMFJ-HUUCEWRRSA-N	1	0	371.489	1.784	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000908451148	855461379	/nfs/dbraw/zinc/46/13/79/855461379.db2.gz	HGXRJOWNVGNWIA-UHFFFAOYSA-N	1	0	360.414	1.387	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)[C@@H](O)C1	ZINC001083618142	855491904	/nfs/dbraw/zinc/49/19/04/855491904.db2.gz	RZIHFOAEQHMEIO-VYDXJSESSA-N	1	0	350.846	1.771	20	30		FDEDRO
C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cccc(N2CC[NH+](C)CC2)n1	ZINC000908653857	855658888	/nfs/dbraw/zinc/65/88/88/855658888.db2.gz	XADFTXMZHFIPGV-KRWDZBQOSA-N	1	0	356.470	1.973	20	30		FDEDRO
C=CCn1c(-c2cnsn2)nnc1N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000908721763	855701320	/nfs/dbraw/zinc/70/13/20/855701320.db2.gz	XHICYRWFLMRDLG-CYBMUJFWSA-N	1	0	363.491	1.530	20	30		FDEDRO
C=CCn1c(-c2ncnc3[nH]cnc32)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1	ZINC000908712316	855715957	/nfs/dbraw/zinc/71/59/57/855715957.db2.gz	RDWPHDGVAKISIW-ZDUSSCGKSA-N	1	0	365.445	1.422	20	30		FDEDRO
COCC[N@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)[C@H]1CCC[C@H]1C	ZINC000488010497	856979450	/nfs/dbraw/zinc/97/94/50/856979450.db2.gz	PUYFGSQGTHKBFZ-CEXWTWQISA-N	1	0	364.534	1.816	20	30		FDEDRO
CCC[NH+]1CCC(N(C)C(=O)C(=O)N(C)Cc2cc(C#N)cs2)CC1	ZINC000910585030	857351188	/nfs/dbraw/zinc/35/11/88/857351188.db2.gz	GBIJRDXXZCDMDL-UHFFFAOYSA-N	1	0	362.499	1.911	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[C@@H]2Cc2cnn(C)c2)CC1	ZINC000668835696	857451776	/nfs/dbraw/zinc/45/17/76/857451776.db2.gz	HPMGZSSVBJHQQN-AEFFLSMTSA-N	1	0	373.501	1.014	20	30		FDEDRO
C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000669316601	862915634	/nfs/dbraw/zinc/91/56/34/862915634.db2.gz	GAWVZLSPHVJWIP-KRWDZBQOSA-N	1	0	373.505	1.802	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1	ZINC000910987522	857988031	/nfs/dbraw/zinc/98/80/31/857988031.db2.gz	PTCCBFZDOZOTNH-ZIAGYGMSSA-N	1	0	353.344	1.022	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)C[C@H]1CCOC1	ZINC000669335281	863008611	/nfs/dbraw/zinc/00/86/11/863008611.db2.gz	RQRBCUAUFFKNHN-ZACQAIPSSA-N	1	0	361.490	1.863	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nnc(C3CC3)o2)C1	ZINC001112285035	863013716	/nfs/dbraw/zinc/01/37/16/863013716.db2.gz	JIWKPSHQFUNVCA-KXBFYZLASA-N	1	0	360.458	1.868	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1	ZINC000911359947	858518939	/nfs/dbraw/zinc/51/89/39/858518939.db2.gz	GRTMCRSKYOVTRN-HNNXBMFYSA-N	1	0	351.491	1.451	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C	ZINC000911379621	858542327	/nfs/dbraw/zinc/54/23/27/858542327.db2.gz	DNILZWIZOLJHFL-NEPJUHHUSA-N	1	0	355.891	1.888	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)c1	ZINC000911367106	858557613	/nfs/dbraw/zinc/55/76/13/858557613.db2.gz	VWHVGJSFRRLVLO-KRWDZBQOSA-N	1	0	366.396	1.144	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)c1	ZINC000911404455	858593360	/nfs/dbraw/zinc/59/33/60/858593360.db2.gz	ZFUDTDFSOHNIIW-QAPCUYQASA-N	1	0	372.444	1.694	20	30		FDEDRO
C=C(C)Cn1c(-c2cc[nH]n2)nnc1N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000669344362	863056321	/nfs/dbraw/zinc/05/63/21/863056321.db2.gz	UNSBMMWQHPLKLS-HNNXBMFYSA-N	1	0	359.478	1.791	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H](c2nnc3ccccn32)C(C)C)CC1	ZINC000916107457	881355858	/nfs/dbraw/zinc/35/58/58/881355858.db2.gz	ZZGXKNAGECKCTM-KRWDZBQOSA-N	1	0	354.458	1.823	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12	ZINC000912080956	859335991	/nfs/dbraw/zinc/33/59/91/859335991.db2.gz	DBJJGMWYPBOMMT-BPLDGKMQSA-N	1	0	354.497	1.285	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)nn2)C1	ZINC000999192823	912212140	/nfs/dbraw/zinc/21/21/40/912212140.db2.gz	IGTCZZLBNZSKJN-BBWFWOEESA-N	1	0	360.458	1.547	20	30		FDEDRO
Cc1nc(C)c(CC(=O)N[C@@H]2CN(Cc3cccc(C#N)c3)C[C@@H]2O)s1	ZINC001083653813	859686743	/nfs/dbraw/zinc/68/67/43/859686743.db2.gz	FRMUBDOOUUOPRS-SJORKVTESA-N	1	0	370.478	1.536	20	30		FDEDRO
Cc1n[nH]cc1CCCNC(NCCCN1CCOCC1)=[NH+]C(C)(C)C	ZINC000912499576	859826373	/nfs/dbraw/zinc/82/63/73/859826373.db2.gz	SHKOVWHAHDISQF-UHFFFAOYSA-N	1	0	364.538	1.707	20	30		FDEDRO
CC(C)(C)[NH+]=C(NCCCN1CCOCC1)NC[C@](C)(O)c1ccco1	ZINC000912506607	859831044	/nfs/dbraw/zinc/83/10/44/859831044.db2.gz	RIIMOHKOZWJDJF-IBGZPJMESA-N	1	0	366.506	1.543	20	30		FDEDRO
CN1CC[N@H+](C)CC(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)C1	ZINC000912514753	859837543	/nfs/dbraw/zinc/83/75/43/859837543.db2.gz	PUXZVMFQJMRBAB-UHFFFAOYSA-N	1	0	356.470	1.174	20	30		FDEDRO
C=CCn1c([C@@H]2CN(C)C[C@@H](C)O2)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1	ZINC000669014573	860164338	/nfs/dbraw/zinc/16/43/38/860164338.db2.gz	RGUGWKRGGMNCHG-IKGGRYGDSA-N	1	0	362.522	1.632	20	30		FDEDRO
C=CCn1c(-c2cc[nH]n2)nnc1N1CC[N@H+](CCOC)[C@@H](CCC)C1	ZINC000669031195	860288640	/nfs/dbraw/zinc/28/86/40/860288640.db2.gz	GPBDVOZYUGEKRW-HNNXBMFYSA-N	1	0	359.478	1.791	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000669039964	860918976	/nfs/dbraw/zinc/91/89/76/860918976.db2.gz	UEYYCQWKGMIYHH-PKOBYXMFSA-N	1	0	373.497	1.722	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1C[C@@H](C)N(CCO)C[C@H]1C	ZINC000916416462	881610024	/nfs/dbraw/zinc/61/00/24/881610024.db2.gz	BWKNFUXRCWXFSS-HZPDHXFCSA-N	1	0	365.499	1.392	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@H]1C	ZINC001105796001	863226863	/nfs/dbraw/zinc/22/68/63/863226863.db2.gz	HYURRDLWDVBVII-BRWVUGGUSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1C	ZINC001105796356	863227646	/nfs/dbraw/zinc/22/76/46/863227646.db2.gz	OKCVXBOBLYQHCC-MWLCHTKSSA-N	1	0	355.236	1.389	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[NH+]1CCCC1	ZINC001004818062	881651633	/nfs/dbraw/zinc/65/16/33/881651633.db2.gz	VGAMTZQIRXCVFR-AQNXPRMDSA-N	1	0	365.477	1.554	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC(C)(C)C)C[C@H]1C	ZINC001105827962	863381624	/nfs/dbraw/zinc/38/16/24/863381624.db2.gz	ZXFDJOAOXZEMBP-QLFBSQMISA-N	1	0	366.506	1.507	20	30		FDEDRO
C=CCc1cc(CNC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cc(OC)c1OC	ZINC000669430419	863460376	/nfs/dbraw/zinc/46/03/76/863460376.db2.gz	QEDLWWPMTDMKCB-SUMWQHHRSA-N	1	0	363.458	1.690	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C)c1nnnn1C1CC1	ZINC001105846078	863474649	/nfs/dbraw/zinc/47/46/49/863474649.db2.gz	HJPXETLHZQRYLV-JHJVBQTASA-N	1	0	363.491	1.010	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]Cc1cn(CC2CC2)nn1	ZINC001105849245	863497505	/nfs/dbraw/zinc/49/75/05/863497505.db2.gz	LVMCALNDKYYQBT-UKRRQHHQSA-N	1	0	362.503	1.129	20	30		FDEDRO
C=CCn1c(-c2ncccn2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000669455151	863610936	/nfs/dbraw/zinc/61/09/36/863610936.db2.gz	OFXXAGFOQHGVBK-HNNXBMFYSA-N	1	0	355.446	1.222	20	30		FDEDRO
C=CCN1CC(=O)N(Cc2ccc(CN3CC[NH+](CC)CC3)cc2)C1=O	ZINC000761003836	863663797	/nfs/dbraw/zinc/66/37/97/863663797.db2.gz	JGHFTDMWLRDDBD-UHFFFAOYSA-N	1	0	356.470	1.774	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc3n[nH]nc3n2)C[C@H]1C(F)(F)F	ZINC001112110489	863736814	/nfs/dbraw/zinc/73/68/14/863736814.db2.gz	RQHBGIYWUUHXGR-ZWNOBZJWSA-N	1	0	368.363	1.912	20	30		FDEDRO
C#CCNS(=O)(=O)N1CC[NH+](Cc2c(C)c(C)c(C)c(C)c2C)CC1	ZINC000761037290	863849602	/nfs/dbraw/zinc/84/96/02/863849602.db2.gz	OOJYFDINXNLNHD-UHFFFAOYSA-N	1	0	363.527	1.814	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cncc(OC)n2)[C@H](C)C1	ZINC001105909209	863906067	/nfs/dbraw/zinc/90/60/67/863906067.db2.gz	FYMLXGAFRWGGPS-BZUAXINKSA-N	1	0	362.474	1.651	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)CC[NH+](C)C)C1	ZINC001060321661	863909070	/nfs/dbraw/zinc/90/90/70/863909070.db2.gz	NUGDSIJXRGOYCF-BBWFWOEESA-N	1	0	351.491	1.274	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC2CC2)[C@H](C)C1	ZINC001105913061	863949855	/nfs/dbraw/zinc/94/98/55/863949855.db2.gz	TZJYBACRMHHCEX-JFIYKMOQSA-N	1	0	365.518	1.520	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H](N[C@@H](C)C(=O)NC)C2)CCC1	ZINC001112114255	863993572	/nfs/dbraw/zinc/99/35/72/863993572.db2.gz	HPSBAACPRZUPQY-YNEHKIRRSA-N	1	0	359.392	1.293	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2Cc2ccccc2)[C@H](C)C1	ZINC001105923428	864034805	/nfs/dbraw/zinc/03/48/05/864034805.db2.gz	ZYDQGPIAORCMGK-SJLPKXTDSA-N	1	0	368.485	1.872	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2nc(-c3ccoc3)no2)[C@H](C)C1	ZINC001105942899	864163619	/nfs/dbraw/zinc/16/36/19/864163619.db2.gz	PHOPTKWQDBEIHL-UKRRQHHQSA-N	1	0	360.414	1.716	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)Nc2nccs2)[C@H](C)C1	ZINC001105943159	864165773	/nfs/dbraw/zinc/16/57/73/864165773.db2.gz	XUQHURNKYMQBMY-MGPQQGTHSA-N	1	0	366.487	1.357	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2ccc(F)cc2)[C@H](C)C1	ZINC001105945811	864186911	/nfs/dbraw/zinc/18/69/11/864186911.db2.gz	FHPXYPZWRKCXBG-IIAWOOMASA-N	1	0	360.433	1.286	20	30		FDEDRO
Cc1ccc(CNC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)cc1	ZINC001105951563	864210629	/nfs/dbraw/zinc/21/06/29/864210629.db2.gz	HDCJKMYZBYVFIV-JFIYKMOQSA-N	1	0	356.470	1.455	20	30		FDEDRO
COCCOCC(=O)N1C[C@@H](C[NH2+]Cc2cc(C#N)ccc2F)[C@H](C)C1	ZINC001105953369	864217057	/nfs/dbraw/zinc/21/70/57/864217057.db2.gz	UUVIFJSXWMUIPF-RHSMWYFYSA-N	1	0	363.433	1.544	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)CC(F)(F)F)[C@H](C)C1	ZINC001105982748	864335443	/nfs/dbraw/zinc/33/54/43/864335443.db2.gz	WJSCBOAWVMLPSF-RBSFLKMASA-N	1	0	366.424	1.967	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]C[C@H](O)Cc1ccccc1	ZINC001105985207	864346800	/nfs/dbraw/zinc/34/68/00/864346800.db2.gz	DRWDEHZEIWTCAD-ATZDWAIDSA-N	1	0	366.465	1.788	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]Cc2nc(COC)no2)[C@H](C)C1	ZINC001105985482	864348094	/nfs/dbraw/zinc/34/80/94/864348094.db2.gz	MATNVELXFVMYBF-HUUCEWRRSA-N	1	0	366.462	1.383	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@H](C)C(C)C)[C@H](C)C1	ZINC001105987728	864365543	/nfs/dbraw/zinc/36/55/43/864365543.db2.gz	OSEBCSJTWQZCMW-KZNAEPCWSA-N	1	0	367.534	1.814	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]CCOC[C@H]1CCCO1	ZINC001105988698	864377376	/nfs/dbraw/zinc/37/73/76/864377376.db2.gz	FJUVBASCDRKJIL-DJIMGWMZSA-N	1	0	360.458	1.380	20	30		FDEDRO
O=C(C#Cc1ccc2c(c1)OCO2)OCC(=O)NC1CC[NH+](C2CC2)CC1	ZINC000761220226	864414005	/nfs/dbraw/zinc/41/40/05/864414005.db2.gz	OGGCSQBERHNMEQ-UHFFFAOYSA-N	1	0	370.405	1.053	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)Cc2cc(C)n[nH]2)C[C@H]1C	ZINC001106000568	864476910	/nfs/dbraw/zinc/47/69/10/864476910.db2.gz	HMQIRIWZYOILQY-ZWNOBZJWSA-N	1	0	355.280	1.853	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCOC)C1	ZINC001111622189	864479594	/nfs/dbraw/zinc/47/95/94/864479594.db2.gz	AUHRDPHTKHMEJM-PXNSSMCTSA-N	1	0	363.502	1.584	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106004984	864558259	/nfs/dbraw/zinc/55/82/59/864558259.db2.gz	BXLCTNNEVCDATE-BPQIPLTHSA-N	1	0	371.456	1.388	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CCCCC(=O)N2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088850685	864629519	/nfs/dbraw/zinc/62/95/19/864629519.db2.gz	DMQICRZTOVUUHK-FHLIZLRMSA-N	1	0	354.454	1.696	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCCO2)C[C@H]1C	ZINC001106012527	864644904	/nfs/dbraw/zinc/64/49/04/864644904.db2.gz	KHXTZDAXYBTPOA-KURKYZTESA-N	1	0	365.518	1.664	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]CCOCC(F)(F)F	ZINC001106020745	864714259	/nfs/dbraw/zinc/71/42/59/864714259.db2.gz	LLIPLRZERUNOBA-VXGBXAGGSA-N	1	0	358.364	1.763	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2Cl)[C@H](C)C1	ZINC001106029506	864883212	/nfs/dbraw/zinc/88/32/12/864883212.db2.gz	VKWPXUMXQMJUHD-GDBMZVCRSA-N	1	0	361.873	1.664	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2C#N)[C@H](C)C1	ZINC001106029595	864884429	/nfs/dbraw/zinc/88/44/29/864884429.db2.gz	ZUXHCJMIWJARMG-RHSMWYFYSA-N	1	0	370.428	1.021	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CCc2ccccc2)C[C@H]1OC	ZINC001212187220	864901032	/nfs/dbraw/zinc/90/10/32/864901032.db2.gz	LNMCVKBCOPFSFC-XUVXKRRUSA-N	1	0	358.482	1.599	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)CN(CN3CC[C@@H]([NH+]4CCCC4)C3)C2=O)cc1	ZINC000170728673	864902366	/nfs/dbraw/zinc/90/23/66/864902366.db2.gz	SEQGLZBHDWWPEC-GOSISDBHSA-N	1	0	367.453	1.450	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]CC/C=C\c2ccccc2)[C@H](C)C1	ZINC001106034483	864912469	/nfs/dbraw/zinc/91/24/69/864912469.db2.gz	FFBRLHMLUDJMSL-GDSCYZHGSA-N	1	0	367.493	1.914	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2cc(C)ccc2OC)[C@H](C)C1	ZINC001106034406	864912814	/nfs/dbraw/zinc/91/28/14/864912814.db2.gz	DBPDFYFWUWENEH-SJLPKXTDSA-N	1	0	371.481	1.327	20	30		FDEDRO
CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)c(C#N)c2)[C@H](C)C1	ZINC001106033140	864922663	/nfs/dbraw/zinc/92/26/63/864922663.db2.gz	BWKJQEIQCVXQNN-CZUORRHYSA-N	1	0	360.433	1.408	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2cc(C)sc2C)[C@H](C)C1	ZINC001106033535	864923706	/nfs/dbraw/zinc/92/37/06/864923706.db2.gz	VWEUMPCNHDNFKT-CXAGYDPISA-N	1	0	361.511	1.689	20	30		FDEDRO
CNC(=O)CC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccc(Cl)cc2)[C@H](C)C1	ZINC001106044163	864963986	/nfs/dbraw/zinc/96/39/86/864963986.db2.gz	FKLMCKWDCHFFRD-GDBMZVCRSA-N	1	0	361.873	1.512	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc3nonc3c2)[C@@H]1C	ZINC001088868596	865002672	/nfs/dbraw/zinc/00/26/72/865002672.db2.gz	NUGXVEJFUHCRFB-TXPWEPMLSA-N	1	0	356.426	1.893	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@H](O)c2cccc(F)c2)CC1	ZINC000170911749	865015942	/nfs/dbraw/zinc/01/59/42/865015942.db2.gz	LAZFUGRUGCWLEE-HNNXBMFYSA-N	1	0	366.437	1.727	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1C	ZINC001106054237	865036135	/nfs/dbraw/zinc/03/61/35/865036135.db2.gz	AWHHZNBGQQOHDF-MWLCHTKSSA-N	1	0	358.236	1.185	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106054570	865038440	/nfs/dbraw/zinc/03/84/40/865038440.db2.gz	GIDPOFKCRVYJCJ-NVXWUHKLSA-N	1	0	353.422	1.328	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nc(C(C)C)no2)[C@H](C)C1	ZINC001106059513	865071164	/nfs/dbraw/zinc/07/11/64/865071164.db2.gz	XNGYOJRJBCFUFS-LBTNJELSSA-N	1	0	350.463	1.704	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@](C)(O)C=C)C[C@H]1C	ZINC001106065223	865105701	/nfs/dbraw/zinc/10/57/01/865105701.db2.gz	SRUYTYOBFXCRAT-HLIPFELVSA-N	1	0	363.502	1.198	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN(S(=O)(=O)Cc1csc(C#N)c1)CCO2	ZINC000916630232	881849049	/nfs/dbraw/zinc/84/90/49/881849049.db2.gz	NFFOUNLYSUSQJX-UHFFFAOYSA-N	1	0	355.485	1.246	20	30		FDEDRO
CCCN1C[C@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)CC1=O	ZINC001088890472	865266396	/nfs/dbraw/zinc/26/63/96/865266396.db2.gz	VCEUKXSYSCYCHZ-LZQZEXGQSA-N	1	0	368.481	1.896	20	30		FDEDRO
CCCN1C[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)CC1=O	ZINC001088890473	865267614	/nfs/dbraw/zinc/26/76/14/865267614.db2.gz	VCEUKXSYSCYCHZ-MNEFBYGVSA-N	1	0	368.481	1.896	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cnn(C)n2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088919335	865468167	/nfs/dbraw/zinc/46/81/67/865468167.db2.gz	AQMYWMSSJUXYBC-CJNGLKHVSA-N	1	0	354.414	1.110	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@H]1C	ZINC001106876980	881880983	/nfs/dbraw/zinc/88/09/83/881880983.db2.gz	HQWOPFKWLNNRJY-QLFBSQMISA-N	1	0	361.490	1.062	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ncccn2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088934790	865555152	/nfs/dbraw/zinc/55/51/52/865555152.db2.gz	XCWOUWYFRFQMRJ-PBHICJAKSA-N	1	0	351.410	1.772	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CCCCN2C(N)=O)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088972053	865813804	/nfs/dbraw/zinc/81/38/04/865813804.db2.gz	PPPMSJPROFJPIE-FHLIZLRMSA-N	1	0	369.469	1.570	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1Cc1ccc(F)c(C#N)c1	ZINC001088983393	865911097	/nfs/dbraw/zinc/91/10/97/865911097.db2.gz	UZLQMCYOFZVEPZ-KDOFPFPSSA-N	1	0	356.445	1.872	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(N(C)C)nn2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088986172	865927950	/nfs/dbraw/zinc/92/79/50/865927950.db2.gz	MSQRFZKDFILCNP-PBHICJAKSA-N	1	0	364.453	1.807	20	30		FDEDRO
CC[NH+](CC)[C@H]1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000173469281	865975432	/nfs/dbraw/zinc/97/54/32/865975432.db2.gz	RXEHHVXIUMMQCL-SFHVURJKSA-N	1	0	369.469	1.696	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H](C[NH2+]CC#Cc3ccc(F)cc3)[C@H](C)C2)o1	ZINC001106083623	866227376	/nfs/dbraw/zinc/22/73/76/866227376.db2.gz	UHPPDDOPMPLWJS-RHSMWYFYSA-N	1	0	370.428	1.795	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3nccnc3C)[C@@H]2C)CC1	ZINC001089059451	866384837	/nfs/dbraw/zinc/38/48/37/866384837.db2.gz	MUFQZYHURZZWIJ-AEFFLSMTSA-N	1	0	355.486	1.209	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3ncc(C4CC4)o3)[C@@H]2C)CC1	ZINC001089060039	866389787	/nfs/dbraw/zinc/38/97/87/866389787.db2.gz	PIJCTHBTZPPNBO-QAPCUYQASA-N	1	0	370.497	1.976	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1	ZINC000456315233	866829024	/nfs/dbraw/zinc/82/90/24/866829024.db2.gz	MTAQLANHCWKAHH-QGZVFWFLSA-N	1	0	356.470	1.634	20	30		FDEDRO
C[C@H]1CN(C(=O)CNc2ccc(C#N)cn2)CC[N@H+](Cc2ccccc2)C1	ZINC000456322495	866830012	/nfs/dbraw/zinc/83/00/12/866830012.db2.gz	DLTAGVXOEYPEQK-QGZVFWFLSA-N	1	0	363.465	2.346	20	30		FDEDRO
C=CCn1c(COC)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1	ZINC000669804049	867483981	/nfs/dbraw/zinc/48/39/81/867483981.db2.gz	MIZPHIBBXPYIJN-UHFFFAOYSA-N	1	0	362.522	1.605	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)N(C)CC(C)(C)C#N)cn2)CC1	ZINC000457659464	867605477	/nfs/dbraw/zinc/60/54/77/867605477.db2.gz	FIBUORDHUBNWHX-UHFFFAOYSA-N	1	0	358.490	1.915	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)Cc2c(C)nn(C(F)F)c2C)c1C#N	ZINC000535511947	867725022	/nfs/dbraw/zinc/72/50/22/867725022.db2.gz	YNDCYAIULKNZCT-UHFFFAOYSA-N	1	0	365.388	1.823	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(Cc3oc(CC)nc3C)C[C@H]2O)cc1	ZINC001077493594	867960369	/nfs/dbraw/zinc/96/03/69/867960369.db2.gz	BYLCTOZCQXIXGL-IAGOWNOFSA-N	1	0	353.422	1.502	20	30		FDEDRO
C[C@@H]1CCCC[C@H]1OCCNC(=O)CON=C(N)C[N@@H+]1CCCC[C@@H]1C	ZINC000151535200	868006804	/nfs/dbraw/zinc/00/68/04/868006804.db2.gz	GLTJDUOQNLHKBN-IXDOHACOSA-N	1	0	368.522	1.861	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1C	ZINC001106098855	868038868	/nfs/dbraw/zinc/03/88/68/868038868.db2.gz	SANCUWLEPKDXPH-OWCLPIDISA-N	1	0	361.490	1.521	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2ccccc2)[C@H](C)C1	ZINC001106098959	868041555	/nfs/dbraw/zinc/04/15/55/868041555.db2.gz	VCFIEOWMJSKJIS-IEBWSBKVSA-N	1	0	355.482	1.646	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)c2ccccc2)[C@H](C)C1	ZINC001106099801	868065140	/nfs/dbraw/zinc/06/51/40/868065140.db2.gz	PKKFLHPMSKKSEU-QZTJIDSGSA-N	1	0	355.482	1.993	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COCc2ccco2)[C@H](C)C1	ZINC001106104583	868132670	/nfs/dbraw/zinc/13/26/70/868132670.db2.gz	AVHKXTIWYMAURN-KZNAEPCWSA-N	1	0	362.470	1.501	20	30		FDEDRO
C[C@@H](C1CC1)N(C(=O)C[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C)C1CC1	ZINC001106106295	868185213	/nfs/dbraw/zinc/18/52/13/868185213.db2.gz	QPKLQJRCXYRUMY-JTDSTZFVSA-N	1	0	371.525	1.873	20	30		FDEDRO
NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@]12CCC[C@@H]1[N@H+](CC#Cc1ccccc1)CC2	ZINC000992182436	868194313	/nfs/dbraw/zinc/19/43/13/868194313.db2.gz	ROFMQVUUQTYFTI-WKRCXCSHSA-N	1	0	351.450	1.273	20	30		FDEDRO
C=CCn1cccc1C(=O)NCC1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000992189979	868242631	/nfs/dbraw/zinc/24/26/31/868242631.db2.gz	FDCXOAGUFSFMIO-RDHHWEPZSA-N	1	0	358.486	1.639	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]2CC1	ZINC000946786380	882171167	/nfs/dbraw/zinc/17/11/67/882171167.db2.gz	JOOPJLGRDZHTAT-ILOCAZANSA-N	1	0	361.486	1.027	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(Cc3csnn3)C[C@H]2CC1	ZINC000946786822	882172793	/nfs/dbraw/zinc/17/27/93/882172793.db2.gz	QVBRASIWKHDLFM-WTTBNOFXSA-N	1	0	362.499	1.800	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C[NH2+]CC1(CS(C)(=O)=O)CC1	ZINC001106109046	868298119	/nfs/dbraw/zinc/29/81/19/868298119.db2.gz	BRPGIHFVOWXTSA-HZPDHXFCSA-N	1	0	368.543	1.545	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C[NH2+]C[C@@H]1CCCS(=O)(=O)C1	ZINC001106109585	868301072	/nfs/dbraw/zinc/30/10/72/868301072.db2.gz	OGAANOTXVGKXQA-IXDOHACOSA-N	1	0	368.543	1.545	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2c(C)nn(C)c2Cl)[C@H](C)C1	ZINC001106111301	868388750	/nfs/dbraw/zinc/38/87/50/868388750.db2.gz	LORRZGFHDUQTJM-BPLDGKMQSA-N	1	0	366.893	1.604	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2noc3c2CCCC3)[C@H](C)C1	ZINC001106111540	868392482	/nfs/dbraw/zinc/39/24/82/868392482.db2.gz	OPEJWOHAEJDHPS-BZUAXINKSA-N	1	0	359.470	1.776	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cccc(N(C)C)c2)[C@H](C)C1	ZINC001106112101	868402371	/nfs/dbraw/zinc/40/23/71/868402371.db2.gz	WWXQSOVMUMZXIV-ZHALLVOQSA-N	1	0	357.498	1.975	20	30		FDEDRO
CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000443325337	868403602	/nfs/dbraw/zinc/40/36/02/868403602.db2.gz	WFGZQLHEBKJYGV-UHFFFAOYSA-N	1	0	372.347	1.852	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2ncc(Cl)n2C)[C@H](C)C1	ZINC001106114504	868491613	/nfs/dbraw/zinc/49/16/13/868491613.db2.gz	AINAGPWSGBYDNK-ZIAGYGMSSA-N	1	0	352.866	1.298	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cn(C)nc2C(F)F)[C@H](C)C1	ZINC001106116897	868581641	/nfs/dbraw/zinc/58/16/41/868581641.db2.gz	RYIXMQLRXRVBKI-MGPQQGTHSA-N	1	0	368.428	1.580	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(C)(C)CC)[C@H](C)C1	ZINC001106117497	868609819	/nfs/dbraw/zinc/60/98/19/868609819.db2.gz	RRBWTUAPDRGNLZ-IXDOHACOSA-N	1	0	365.518	1.404	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)NC1CC(NS(C)(=O)=O)C1)C(C)C	ZINC000669889719	868700589	/nfs/dbraw/zinc/70/05/89/868700589.db2.gz	JPQGAAHDLUKCCG-UYSNPLJNSA-N	1	0	372.535	1.064	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)N2CCCCC2=O)C[C@H]1C	ZINC001106124669	868920894	/nfs/dbraw/zinc/92/08/94/868920894.db2.gz	XRNDHVYLZAWLHN-KZNAEPCWSA-N	1	0	363.502	1.111	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCN(CC=C)C2=O)C1	ZINC001112330716	868980164	/nfs/dbraw/zinc/98/01/64/868980164.db2.gz	XAGQSHKZHPAXCG-WFXMLNOXSA-N	1	0	357.498	1.795	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H](NC(=O)c3cccc4c[nH]nc43)[C@@H](O)C2)s1	ZINC001083689187	869010361	/nfs/dbraw/zinc/01/03/61/869010361.db2.gz	HJJHVSYSRCYYTO-CVEARBPZSA-N	1	0	367.434	1.471	20	30		FDEDRO
CC[NH+](CC)C[C@H](C)NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000464806854	869030630	/nfs/dbraw/zinc/03/06/30/869030630.db2.gz	GKXQQTPMTOBUGR-GJZGRUSLSA-N	1	0	359.478	1.299	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCCCOC)C1	ZINC001112333146	869086740	/nfs/dbraw/zinc/08/67/40/869086740.db2.gz	ZIUPCXNDRUQPTD-PXNSSMCTSA-N	1	0	363.502	1.161	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nnc(CC)o2)C1	ZINC001112334871	869188015	/nfs/dbraw/zinc/18/80/15/869188015.db2.gz	MKUCGHRCJFTHOL-KYNGSXCRSA-N	1	0	362.474	1.677	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCC1=CC[N@H+](C)CC1	ZINC000271825047	869222339	/nfs/dbraw/zinc/22/23/39/869222339.db2.gz	DFIGZBCWDULPLE-UHFFFAOYSA-N	1	0	356.426	1.662	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccccc2CC)C[C@@H]1O	ZINC001083853211	882279808	/nfs/dbraw/zinc/27/98/08/882279808.db2.gz	INKPXTPLSMYCJD-WOZUAGRISA-N	1	0	372.509	1.934	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(C#N)c(F)c1	ZINC000271917895	869600390	/nfs/dbraw/zinc/60/03/90/869600390.db2.gz	CSIZSNUFEOURNK-WMLDXEAASA-N	1	0	360.433	1.281	20	30		FDEDRO
C=C(C)C[C@@H](NC(=O)c1cccc(N2CC[NH+](C)CC2)n1)C(=O)OCC	ZINC000916727398	882351931	/nfs/dbraw/zinc/35/19/31/882351931.db2.gz	VOABYJNQPAHVJY-MRXNPFEDSA-N	1	0	360.458	1.461	20	30		FDEDRO
C#CCN(C(=O)NCCNC(=O)c1ccc(C)c(F)c1)C1CC[NH+](C)CC1	ZINC000914003643	870310817	/nfs/dbraw/zinc/31/08/17/870310817.db2.gz	OGFDJAQVGUTQSO-UHFFFAOYSA-N	1	0	374.460	1.603	20	30		FDEDRO
C#CCN(C(=O)NCc1ccnc(N2CCOCC2)c1)C1CC[NH+](C)CC1	ZINC000914032721	870415444	/nfs/dbraw/zinc/41/54/44/870415444.db2.gz	ITBRVUHDOUWLED-UHFFFAOYSA-N	1	0	371.485	1.157	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@@H](C#N)C3)cn2)CC1	ZINC000914058567	870507193	/nfs/dbraw/zinc/50/71/93/870507193.db2.gz	AHJLFDJDHAPJAL-INIZCTEOSA-N	1	0	356.474	1.669	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)Cc3csc(C#N)c3)CC2)C1	ZINC000914117515	870877652	/nfs/dbraw/zinc/87/76/52/870877652.db2.gz	UIDHXSPLFOLRDI-OAHLLOKOSA-N	1	0	368.528	1.161	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)CCC2CCCC2)[C@@H](n2ccnn2)C1	ZINC001128647120	882494615	/nfs/dbraw/zinc/49/46/15/882494615.db2.gz	LUXFXCNZTOZKIC-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1	ZINC001033427762	882497394	/nfs/dbraw/zinc/49/73/94/882497394.db2.gz	IUZKFARUHVACND-SQNIBIBYSA-N	1	0	354.454	1.493	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106143925	871373795	/nfs/dbraw/zinc/37/37/95/871373795.db2.gz	QIEHWNUVEMKGRH-HNBVOPMISA-N	1	0	367.493	1.637	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2[nH]cnc2C(C)(C)C)C[C@H]1C	ZINC001106149847	871391662	/nfs/dbraw/zinc/39/16/62/871391662.db2.gz	VXKUEDYBZVWBKV-ZIAGYGMSSA-N	1	0	361.490	1.307	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2CCCN(C(=O)OCC)C2)CC1	ZINC000922069560	871789628	/nfs/dbraw/zinc/78/96/28/871789628.db2.gz	YDEOWLZXUAHREA-HOTGVXAUSA-N	1	0	364.490	1.640	20	30		FDEDRO
CCOC(=O)N1CCC([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000009513316	871915947	/nfs/dbraw/zinc/91/59/47/871915947.db2.gz	MIQMHBRCKXIQEP-KRWDZBQOSA-N	1	0	361.442	1.703	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cccc3ncn(C)c32)[C@H](OC)C1	ZINC001212481444	871946751	/nfs/dbraw/zinc/94/67/51/871946751.db2.gz	RGAMQIVANIDTIR-IAGOWNOFSA-N	1	0	358.442	1.205	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2CCCN(C3CCCCC3)C2=O)CC1	ZINC000922126246	872264621	/nfs/dbraw/zinc/26/46/21/872264621.db2.gz	FQDBSESVVGBFPC-SFHVURJKSA-N	1	0	360.502	1.707	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@]3(C)C2)C1	ZINC000992810654	872448848	/nfs/dbraw/zinc/44/88/48/872448848.db2.gz	XRSSZVJZZIVAAR-SXGZJXTBSA-N	1	0	369.469	1.149	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000466072123	872534397	/nfs/dbraw/zinc/53/43/97/872534397.db2.gz	XEGWHNHSQIIBBG-UHFFFAOYSA-N	1	0	373.501	1.354	20	30		FDEDRO
C=C(Br)CNC(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O	ZINC000914418461	872795006	/nfs/dbraw/zinc/79/50/06/872795006.db2.gz	LHPZAUGDPYTMKP-CXTNEJHOSA-N	1	0	360.296	1.674	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1	ZINC001003245595	872868839	/nfs/dbraw/zinc/86/88/39/872868839.db2.gz	JWVSDVCZUAIXML-MOPGFXCFSA-N	1	0	371.481	1.528	20	30		FDEDRO
CC(C)(C(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1)[NH+]1CCCCC1	ZINC000992889274	873083857	/nfs/dbraw/zinc/08/38/57/873083857.db2.gz	CZNLTCDHRRYTGH-PGRDOPGGSA-N	1	0	371.525	1.971	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(C#N)c1	ZINC001003354610	873186969	/nfs/dbraw/zinc/18/69/69/873186969.db2.gz	IKYPNDCNNHQCRW-ZJPYXAASSA-N	1	0	369.469	1.622	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C(=O)C(C)(C)C)CC1	ZINC001003362680	873215541	/nfs/dbraw/zinc/21/55/41/873215541.db2.gz	DQNNFOHRFFPQOA-ZACQAIPSSA-N	1	0	373.497	1.195	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(C#N)c[nH]1	ZINC001003372289	873238707	/nfs/dbraw/zinc/23/87/07/873238707.db2.gz	SCAXKACRGXYWDD-XYVMCAHJSA-N	1	0	369.469	1.622	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@H]2CCOC2)[C@H](C)C1	ZINC001106190485	873249015	/nfs/dbraw/zinc/24/90/15/873249015.db2.gz	LXPUFPQZNKAHFX-BRWVUGGUSA-N	1	0	351.491	1.180	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NCCCOCC)[C@H](C)C1	ZINC001106191925	873268687	/nfs/dbraw/zinc/26/86/87/873268687.db2.gz	RUUKVTDRMHMNNK-FGTMMUONSA-N	1	0	367.534	1.958	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@H]2CCCO2)[C@H](C)C1	ZINC001106193858	873274365	/nfs/dbraw/zinc/27/43/65/873274365.db2.gz	WGCXEWXCWDRINY-BRWVUGGUSA-N	1	0	351.491	1.322	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COCC(F)(F)F)[C@H](C)C1	ZINC001106194361	873275033	/nfs/dbraw/zinc/27/50/33/873275033.db2.gz	LJICLKOLJMNMAX-RBSFLKMASA-N	1	0	366.424	1.967	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@]3(C)C2)CC1	ZINC000992942223	873323027	/nfs/dbraw/zinc/32/30/27/873323027.db2.gz	NEJNWVXFFRZZIY-OPYAIIAOSA-N	1	0	359.514	1.991	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CC2)[C@H](C)C1)OCC	ZINC001106197092	873424666	/nfs/dbraw/zinc/42/46/66/873424666.db2.gz	GBLPRPUSVBCRLS-NXHRZFHOSA-N	1	0	365.518	1.568	20	30		FDEDRO
CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@H](O)CC2(C#N)CCC2)c1	ZINC001168466132	873657634	/nfs/dbraw/zinc/65/76/34/873657634.db2.gz	LBCHYSAQXBAKNW-ZFWWWQNUSA-N	1	0	351.472	1.690	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)CCC4CC4)C[C@@]3(C)C2)CC1	ZINC000993018102	873695923	/nfs/dbraw/zinc/69/59/23/873695923.db2.gz	FQPCXRURHMNFNP-KNQAVFIVSA-N	1	0	371.525	1.829	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](N(C)c3cncc(C#N)n3)C2)CC[N@@H+]1C	ZINC001061281073	873728805	/nfs/dbraw/zinc/72/88/05/873728805.db2.gz	NHBNADOLNZPOMW-YESZJQIVSA-N	1	0	356.474	1.506	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H](N(C)c3ncc(C#N)cc3F)C2)CC[N@@H+]1C	ZINC001061281326	873731571	/nfs/dbraw/zinc/73/15/71/873731571.db2.gz	VOAKSGFCOILXMO-VNQPRFMTSA-N	1	0	359.449	1.860	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c(C)[nH]nc2Cl)C[C@H]1C	ZINC001106225729	873971060	/nfs/dbraw/zinc/97/10/60/873971060.db2.gz	DUGJBDFRLQQNOG-KGYLQXTDSA-N	1	0	367.881	1.360	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCN2c2ccccc2)C[C@H]1C	ZINC001106225855	873971109	/nfs/dbraw/zinc/97/11/09/873971109.db2.gz	JOEYTKAPQDLDMX-SBHAEUEKSA-N	1	0	369.509	1.989	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(F)c(F)c2)C[C@H]1C	ZINC001106251545	874150432	/nfs/dbraw/zinc/15/04/32/874150432.db2.gz	ISAFXNVQLKPSLJ-TZMCWYRMSA-N	1	0	351.397	1.565	20	30		FDEDRO
Cc1cccc2c(C(=O)N3C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C3)coc21	ZINC001106255390	874166783	/nfs/dbraw/zinc/16/67/83/874166783.db2.gz	PQGBLXVJBFWRIC-HUUCEWRRSA-N	1	0	368.437	1.679	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2C)[C@@H](n2ccnn2)C1	ZINC001128705701	882814678	/nfs/dbraw/zinc/81/46/78/882814678.db2.gz	RIKPQQUQZAHRDP-XYPHTWIQSA-N	1	0	357.462	1.330	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(F)c(C)cc2F)C[C@H]1C	ZINC001106283166	874423901	/nfs/dbraw/zinc/42/39/01/874423901.db2.gz	NQVFLGOAXOEQJT-ZIAGYGMSSA-N	1	0	363.408	1.320	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@]2(C)C1	ZINC000993108294	874431651	/nfs/dbraw/zinc/43/16/51/874431651.db2.gz	XTRBRTVURJRFNB-MDYRTPRTSA-N	1	0	369.469	1.291	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCN(C)C2=O)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106297598	874594561	/nfs/dbraw/zinc/59/45/61/874594561.db2.gz	DQFICGWWRLSFMR-MISYRCLQSA-N	1	0	367.493	1.591	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cn3c(n2)C[C@@H](OC)CC3)C[C@H]1C	ZINC001106307196	874662059	/nfs/dbraw/zinc/66/20/59/874662059.db2.gz	GJVRZGMIKLJQOZ-YUELXQCFSA-N	1	0	366.893	1.895	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@H]1C	ZINC001106316488	874761721	/nfs/dbraw/zinc/76/17/21/874761721.db2.gz	YAHSYBYTZUIEQU-GDBMZVCRSA-N	1	0	354.516	1.462	20	30		FDEDRO
CCC/C=C/CC[N@@H+]1C[C@@H](NC(=O)CSCC#N)[C@@H](n2ccnn2)C1	ZINC001128724211	882863754	/nfs/dbraw/zinc/86/37/54/882863754.db2.gz	VONWNNDRUSTJOZ-SGFLJFKBSA-N	1	0	362.503	1.623	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)CC(C)C)C[C@H]1C	ZINC001106329737	874799795	/nfs/dbraw/zinc/79/97/95/874799795.db2.gz	JBLDDNCJKKHHKE-TZMCWYRMSA-N	1	0	350.912	1.494	20	30		FDEDRO
C#CCOc1ccccc1C[NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1	ZINC000925419171	874806476	/nfs/dbraw/zinc/80/64/76/874806476.db2.gz	BSWDQAIMYXWTKP-OAHLLOKOSA-N	1	0	350.484	1.848	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cccc(-n3ccnc3)n2)C[C@H]1C	ZINC001106353914	874879330	/nfs/dbraw/zinc/87/93/30/874879330.db2.gz	GWHGEYHJZOWNHD-IAGOWNOFSA-N	1	0	369.469	1.768	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)COC2CCCCC2)C[C@H]1C	ZINC001106355734	874887718	/nfs/dbraw/zinc/88/77/18/874887718.db2.gz	RCBWMEBHRKHIEJ-BRWVUGGUSA-N	1	0	365.518	1.711	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)COC2CCCCC2)C[C@H]1C	ZINC001106355871	874888121	/nfs/dbraw/zinc/88/81/21/874888121.db2.gz	YBPXHJJPOVDBGR-IXDOHACOSA-N	1	0	363.502	1.158	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)N(C)C(=O)C3)C[C@H]1C	ZINC001106381674	875009829	/nfs/dbraw/zinc/00/98/29/875009829.db2.gz	ASSAPWKCAQKBRO-CRAIPNDOSA-N	1	0	371.481	1.706	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(OC)nc2)C[C@H]1C	ZINC001106399710	875093427	/nfs/dbraw/zinc/09/34/27/875093427.db2.gz	NVJWDNZHJZQFJM-IIAWOOMASA-N	1	0	360.458	1.079	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3c(cn2)CCCC3)C[C@H]1C	ZINC001106401074	875102684	/nfs/dbraw/zinc/10/26/84/875102684.db2.gz	VWMDPDNQWJGWNG-CRAIPNDOSA-N	1	0	368.481	1.008	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H](NC(C)=O)C2CCCC2)C[C@H]1C	ZINC001106403352	875131040	/nfs/dbraw/zinc/13/10/40/875131040.db2.gz	XSEUJTUXQYRDHE-ATZDWAIDSA-N	1	0	365.518	1.568	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)OCc2ccccc2)C[C@H]1C	ZINC001106410313	875175670	/nfs/dbraw/zinc/17/56/70/875175670.db2.gz	HPGQBSCITBCZQD-WSTZPKSXSA-N	1	0	358.482	1.926	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc3[nH]ccc3n2)C[C@H]1C	ZINC001106419461	875204780	/nfs/dbraw/zinc/20/47/80/875204780.db2.gz	LVWIXQOHENOEEE-RBSFLKMASA-N	1	0	369.469	1.551	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(COC)CC2)C[C@H]1C	ZINC001106429374	875259228	/nfs/dbraw/zinc/25/92/28/875259228.db2.gz	ZYHINBWEMQRMRE-IAGOWNOFSA-N	1	0	363.502	1.298	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3cc(F)ccc32)C[C@H]1C	ZINC001106436019	875285883	/nfs/dbraw/zinc/28/58/83/875285883.db2.gz	YBVWTFRASMKMEV-OGWOLHLISA-N	1	0	371.456	1.289	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCC(C)(C)CO2)C[C@H]1C	ZINC001106450374	875357090	/nfs/dbraw/zinc/35/70/90/875357090.db2.gz	FCFDAEAAVSMQCZ-BRWVUGGUSA-N	1	0	363.502	1.015	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)C#Cc2ccc3c(c2)OCO3)Cc2ccccc2C1	ZINC000762219409	875481976	/nfs/dbraw/zinc/48/19/76/875481976.db2.gz	AWWNHQLNHDCEPP-UHFFFAOYSA-N	1	0	362.429	1.982	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)[C@H](C)C1	ZINC001106482005	875620540	/nfs/dbraw/zinc/62/05/40/875620540.db2.gz	BTQACBRGHAFILL-QINHECLXSA-N	1	0	367.534	1.814	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](OCC)C2CCCC2)C[C@H]1C	ZINC001106486764	875624656	/nfs/dbraw/zinc/62/46/56/875624656.db2.gz	GVNFSNCDQYWGIL-SZVBFZGTSA-N	1	0	363.502	1.015	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)C)[C@H](C)C1	ZINC001106486237	875639858	/nfs/dbraw/zinc/63/98/58/875639858.db2.gz	MNKZVNKIYBKPNW-GPMSIDNRSA-N	1	0	353.507	1.424	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]Cc2cnnn2CC)[C@H](C)C1	ZINC001106486053	875640010	/nfs/dbraw/zinc/64/00/10/875640010.db2.gz	KHDPCZSZUQPNEC-MDZRGWNJSA-N	1	0	363.506	1.711	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C(C)C)[C@H](C)C1	ZINC001106486534	875642605	/nfs/dbraw/zinc/64/26/05/875642605.db2.gz	WVJVCFIWLUZICV-HLIPFELVSA-N	1	0	367.534	1.766	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(C3CCC3)CCC2)C[C@H]1C	ZINC001106487856	875652233	/nfs/dbraw/zinc/65/22/33/875652233.db2.gz	BSGDVLGAEZQIDH-BRWVUGGUSA-N	1	0	359.514	1.779	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccccc2N2CCOCC2)CC1	ZINC000915199891	875722632	/nfs/dbraw/zinc/72/26/32/875722632.db2.gz	SNCIGQLEHHIZMU-UHFFFAOYSA-N	1	0	356.470	1.420	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CCNC(=O)C(C)(C)C)C[C@H]1C	ZINC001106502440	875732308	/nfs/dbraw/zinc/73/23/08/875732308.db2.gz	MATRFWXRUZPOMQ-HZPDHXFCSA-N	1	0	353.507	1.426	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3cc(F)ccc3[nH]2)C[C@H]1C	ZINC001106505201	875754960	/nfs/dbraw/zinc/75/49/60/875754960.db2.gz	JEQVVNJDFZNGOG-UKRRQHHQSA-N	1	0	370.428	1.354	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cnn3c2nc(C)cc3C)C[C@H]1C	ZINC001106510024	875773380	/nfs/dbraw/zinc/77/33/80/875773380.db2.gz	XPRHUGGYCZQJGZ-RHSMWYFYSA-N	1	0	371.485	1.846	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)NCC=C)[C@H](C)C2)cc1	ZINC001106512904	875801458	/nfs/dbraw/zinc/80/14/58/875801458.db2.gz	XPOXXKORKSOXMA-GPMSIDNRSA-N	1	0	353.466	1.656	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2nncs2)[C@H](C)C1	ZINC001106517615	875813072	/nfs/dbraw/zinc/81/30/72/875813072.db2.gz	MVPQTKTZYBHNHJ-CHWSQXEVSA-N	1	0	365.503	1.763	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COCCOC)[C@H](C)C1	ZINC001106517627	875813109	/nfs/dbraw/zinc/81/31/09/875813109.db2.gz	NPXJEXUGLUYLAF-BRWVUGGUSA-N	1	0	356.507	1.297	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NC2CC2)[C@H](C)C1	ZINC001106531245	875864161	/nfs/dbraw/zinc/86/41/61/875864161.db2.gz	UJWFHHXISDDCHB-HZSPNIEDSA-N	1	0	364.490	1.259	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C/C=C(/C)C=C)C[C@H]1C	ZINC001106550841	875926703	/nfs/dbraw/zinc/92/67/03/875926703.db2.gz	SXTCBLUTTUJREM-IAGRGRHTSA-N	1	0	362.474	1.205	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc3n2CCOC3)[C@H](C)C1	ZINC001106563784	875963141	/nfs/dbraw/zinc/96/31/41/875963141.db2.gz	KEJBGFDJVLNFFG-BZUAXINKSA-N	1	0	361.490	1.595	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCOCC2)[C@H](C)C1	ZINC001106567664	875977093	/nfs/dbraw/zinc/97/70/93/875977093.db2.gz	OUCPSAKHJIMKFO-IXDOHACOSA-N	1	0	351.491	1.132	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCc3cccnc32)C[C@H]1C	ZINC001106571356	875985319	/nfs/dbraw/zinc/98/53/19/875985319.db2.gz	WKIFRURFWVHXIF-QRQLOZEOSA-N	1	0	355.482	1.835	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2occc2-c2cnn(C)c2)C[C@H]1C	ZINC001106576178	876008082	/nfs/dbraw/zinc/00/80/82/876008082.db2.gz	VILAVHKYAFSBRY-HZPDHXFCSA-N	1	0	370.453	1.628	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3nnn(C)c3C2)C[C@H]1C	ZINC001106584820	876037462	/nfs/dbraw/zinc/03/74/62/876037462.db2.gz	JSGAMOKKRDGKCR-MRVWCRGKSA-N	1	0	351.882	1.357	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc(F)c2F)C[C@H]1C	ZINC001106598009	876101375	/nfs/dbraw/zinc/10/13/75/876101375.db2.gz	TZVRNDGMVXCKFX-MGPQQGTHSA-N	1	0	365.424	1.953	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCOC(C)C)[C@H](C)C1	ZINC001106612623	876173662	/nfs/dbraw/zinc/17/36/62/876173662.db2.gz	GJPISPZKCXAVJY-QZTJIDSGSA-N	1	0	367.534	1.958	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)CCC)C[C@H]1C	ZINC001106614473	876210220	/nfs/dbraw/zinc/21/02/20/876210220.db2.gz	NEVYILSIKQEIIH-HUUCEWRRSA-N	1	0	366.506	1.509	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2conc2C)C[C@H]1C	ZINC001106617079	876228878	/nfs/dbraw/zinc/22/88/78/876228878.db2.gz	FXIMURWNKFKCDV-GDBMZVCRSA-N	1	0	360.458	1.481	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(C(C)(C)C)nn2C)C[C@H]1C	ZINC001106622742	876249379	/nfs/dbraw/zinc/24/93/79/876249379.db2.gz	OAHNRYUMJVINTQ-HZPDHXFCSA-N	1	0	360.502	1.665	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](C[NH2+]CCOCCNC(C)=O)[C@H](C)C1	ZINC001106627922	876270305	/nfs/dbraw/zinc/27/03/05/876270305.db2.gz	AJBRMLFLVLIGEQ-SZVBFZGTSA-N	1	0	353.507	1.426	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@H]21	ZINC000915431370	876307061	/nfs/dbraw/zinc/30/70/61/876307061.db2.gz	KBURENPDAKPOFZ-MSOLQXFVSA-N	1	0	363.483	1.410	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]C[C@@H](C)CS(C)(=O)=O)[C@H](C)C2)C1	ZINC001106648470	876366415	/nfs/dbraw/zinc/36/64/15/876366415.db2.gz	GPXSBUMAOAOFJY-BZUAXINKSA-N	1	0	356.532	1.708	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C(C)C)cn2)C[C@H]1C	ZINC001106665246	876472533	/nfs/dbraw/zinc/47/25/33/876472533.db2.gz	OCXDZRLRPYKSHQ-NVXWUHKLSA-N	1	0	356.470	1.252	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCS(=O)(=O)CC)[C@H](C)C1	ZINC001106680351	876547611	/nfs/dbraw/zinc/54/76/11/876547611.db2.gz	MBIVLNGVGJWPFQ-VQHPVUNQSA-N	1	0	372.531	1.086	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cn(CC)nc2C)C[C@H]1C	ZINC001106712626	876904676	/nfs/dbraw/zinc/90/46/76/876904676.db2.gz	FHEKWQWALZUFAH-FVQBIDKESA-N	1	0	361.490	1.200	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21	ZINC000272351601	877001888	/nfs/dbraw/zinc/00/18/88/877001888.db2.gz	QSIZGSFSFNUULV-WBVHZDCISA-N	1	0	370.453	1.837	20	30		FDEDRO
Cc1ccccc1[C@@H](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106727763	877009664	/nfs/dbraw/zinc/00/96/64/877009664.db2.gz	SIZIVFGQQQWQKO-RCCFBDPRSA-N	1	0	370.497	1.813	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2cccnc2)[C@H](C)C1	ZINC001106733296	877266262	/nfs/dbraw/zinc/26/62/62/877266262.db2.gz	QERYJIJFJLYAKX-ATZDWAIDSA-N	1	0	358.486	1.737	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccccc2)C[C@H]1C	ZINC001106739795	877340655	/nfs/dbraw/zinc/34/06/55/877340655.db2.gz	ZIBMZFMDPGGKHG-OWYHZJEWSA-N	1	0	355.482	1.776	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CC[C@@]2(C1)CN(Cc1ccccc1)C(=O)CO2	ZINC000922288595	877347425	/nfs/dbraw/zinc/34/74/25/877347425.db2.gz	VDXBSUUUANMRGQ-OAQYLSRUSA-N	1	0	371.481	1.524	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cccc(C(N)=O)c2)C1	ZINC000999188542	912225167	/nfs/dbraw/zinc/22/51/67/912225167.db2.gz	AVCUYGCVVQFPLL-OTWHNJEPSA-N	1	0	371.481	1.847	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCCC)[C@H](C)C2)cc1	ZINC001106740222	877404223	/nfs/dbraw/zinc/40/42/23/877404223.db2.gz	DYILYWJTDLNDNC-SJLPKXTDSA-N	1	0	371.481	1.523	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@]2(C)C1	ZINC000993353526	877490339	/nfs/dbraw/zinc/49/03/39/877490339.db2.gz	PJYYKSHEDZJFQG-TWOQFEAHSA-N	1	0	360.502	1.717	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC2)C[C@H]1C	ZINC001106750058	877505636	/nfs/dbraw/zinc/50/56/36/877505636.db2.gz	OCCQUJJKSKVKQK-NRSFXHEJSA-N	1	0	360.502	1.479	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)c2occc2C[NH+](C)C)C1	ZINC001003909405	877514643	/nfs/dbraw/zinc/51/46/43/877514643.db2.gz	JDLIVMRABUCBMR-CVEARBPZSA-N	1	0	361.442	1.121	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C[C@H]1C	ZINC001106750952	877524762	/nfs/dbraw/zinc/52/47/62/877524762.db2.gz	YZULCQIINVZVLD-PHXBYCTMSA-N	1	0	368.481	1.308	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnc4cc(OC)ccn43)[C@H]2C1	ZINC001083142856	912247767	/nfs/dbraw/zinc/24/77/67/912247767.db2.gz	CWEXPWNBLADICK-ZWKOTPCHSA-N	1	0	370.453	1.834	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(-n3cccn3)c2)C[C@H]1C	ZINC001106765561	877639910	/nfs/dbraw/zinc/63/99/10/877639910.db2.gz	IPLQVGRITGCGGR-IEBWSBKVSA-N	1	0	366.465	1.820	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(CNC(C)=O)o2)C[C@H]1C	ZINC001106769375	877676406	/nfs/dbraw/zinc/67/64/06/877676406.db2.gz	SDFSNALOFIPQME-BXUZGUMPSA-N	1	0	353.850	1.966	20	30		FDEDRO
C=CCOCC(=O)N(C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1	ZINC001078884046	877812543	/nfs/dbraw/zinc/81/25/43/877812543.db2.gz	ANNYUTFQXGPFPR-FGTMMUONSA-N	1	0	365.518	1.759	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(Cn4ccnn4)o3)[C@H]2C1	ZINC001083151359	912298022	/nfs/dbraw/zinc/29/80/22/912298022.db2.gz	VQEGIOZCENREPV-FUHWJXTLSA-N	1	0	371.441	1.411	20	30		FDEDRO
C#CCN(C(=O)NCc1ccnc(OC(F)F)c1)C1CC[NH+](C)CC1	ZINC000922395903	878054174	/nfs/dbraw/zinc/05/41/74/878054174.db2.gz	DWHVTGNPJXVJRT-UHFFFAOYSA-N	1	0	352.385	1.922	20	30		FDEDRO
CN(C)c1ncc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1	ZINC000272613553	878056975	/nfs/dbraw/zinc/05/69/75/878056975.db2.gz	VAYQJNCAWTXWAJ-QGZVFWFLSA-N	1	0	350.426	1.699	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](OC)c3cccc(OC)c3)[C@H]2C1	ZINC001083153192	912313212	/nfs/dbraw/zinc/31/32/12/912313212.db2.gz	PRFCMKRQLKRPCG-OTWHNJEPSA-N	1	0	358.438	1.318	20	30		FDEDRO
C#CCN(C(=O)NCC1CCN(C(=O)OC)CC1)C1CC[NH+](C)CC1	ZINC000922453144	878245011	/nfs/dbraw/zinc/24/50/11/878245011.db2.gz	YPSDTBPLELHICA-UHFFFAOYSA-N	1	0	350.463	1.204	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c[nH]cc2C2CC2)C[C@H]1C	ZINC001106818504	878266271	/nfs/dbraw/zinc/26/62/71/878266271.db2.gz	OJMRRFGGRAYMGX-IIAWOOMASA-N	1	0	358.486	1.881	20	30		FDEDRO
COc1cc(C[NH2+]Cc2cn(CC(F)(F)F)c(=O)[nH]c2=O)ccc1C#N	ZINC000922494424	878331960	/nfs/dbraw/zinc/33/19/60/878331960.db2.gz	CKZGPYLPXQKKTK-UHFFFAOYSA-N	1	0	368.315	1.681	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCC[C@H]2CN(C(C)=O)C[C@@H]21)C1CC[NH+](C)CC1	ZINC000922504609	878401441	/nfs/dbraw/zinc/40/14/41/878401441.db2.gz	IVVFLMDZUONNME-YTQUADARSA-N	1	0	360.502	1.372	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCC(NC(=O)C[NH+]2CCCC2)CC1	ZINC001004231313	878633636	/nfs/dbraw/zinc/63/36/36/878633636.db2.gz	LEIBFOMISSJHFL-HIEASXQVSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(CCOC)CC1	ZINC000508956436	878692861	/nfs/dbraw/zinc/69/28/61/878692861.db2.gz	PTTBYTRQPUGXKW-SFHVURJKSA-N	1	0	369.469	1.909	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C(C)C)nn2C)C[C@H]1C	ZINC001106827012	878901252	/nfs/dbraw/zinc/90/12/52/878901252.db2.gz	APUJMCAYYJJBSP-HUUCEWRRSA-N	1	0	361.490	1.143	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2noc(-c3ccccc3C)n2)CC1	ZINC000922701724	879059290	/nfs/dbraw/zinc/05/92/90/879059290.db2.gz	OSCPOXHFAXRQCA-UHFFFAOYSA-N	1	0	353.426	1.942	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)CC1	ZINC000922761985	879202879	/nfs/dbraw/zinc/20/28/79/879202879.db2.gz	GOHWYRMMYIORAJ-JKSUJKDBSA-N	1	0	368.481	1.750	20	30		FDEDRO
Cc1cc(C[NH2+]CC(=O)NCC(=O)N(C)Cc2ccccc2)ccc1C#N	ZINC000922764026	879208451	/nfs/dbraw/zinc/20/84/51/879208451.db2.gz	RVRNKUVLXKAIDS-UHFFFAOYSA-N	1	0	364.449	1.731	20	30		FDEDRO
C#Cc1cncc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C3)c1	ZINC001004357955	879212620	/nfs/dbraw/zinc/21/26/20/879212620.db2.gz	DLYNZZBPFLIQEZ-AITUJVMLSA-N	1	0	366.465	1.266	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O	ZINC001083832762	879213603	/nfs/dbraw/zinc/21/36/03/879213603.db2.gz	UIIUASCCUWPSTQ-HKBOAZHASA-N	1	0	369.509	1.462	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)cc1	ZINC001004396481	879343368	/nfs/dbraw/zinc/34/33/68/879343368.db2.gz	QWGIYDVXCJUBTC-QRVBRYPASA-N	1	0	363.461	1.625	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[N@H+](CC3CC(C)(C)C3)C[C@@H]2O)cc1	ZINC001083842309	879884634	/nfs/dbraw/zinc/88/46/34/879884634.db2.gz	GZWKORJKWIXJEB-MOPGFXCFSA-N	1	0	356.466	1.910	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CN(Cc3ccc(CC)cc3)C[C@@H]2O)nn1	ZINC001083843539	879960619	/nfs/dbraw/zinc/96/06/19/879960619.db2.gz	MHQMZEHALWFKRT-AEFFLSMTSA-N	1	0	355.442	1.002	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2cnc([C@@H]3CCCO3)s2)[C@@H](O)C1	ZINC001083844223	880024183	/nfs/dbraw/zinc/02/41/83/880024183.db2.gz	VIYZKSJMHGQMOJ-RDBSUJKOSA-N	1	0	351.472	1.736	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2nc3ccccn3c2F)C[C@H]1C	ZINC001106834892	880027355	/nfs/dbraw/zinc/02/73/55/880027355.db2.gz	WWJIEHSZXLSHMW-HUUCEWRRSA-N	1	0	360.433	1.974	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1	ZINC000993929182	880071789	/nfs/dbraw/zinc/07/17/89/880071789.db2.gz	HTLNMVLMFHBJPE-SZMVWBNQSA-N	1	0	363.502	1.273	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC000994053962	880556414	/nfs/dbraw/zinc/55/64/14/880556414.db2.gz	OQWGJYDUJZRNEZ-KBRIMQKVSA-N	1	0	369.469	1.052	20	30		FDEDRO
C=C1CCC(C(=O)N2CCO[C@@H]3C[N@@H+]([C@H]4CCN(CC)C4=O)C[C@@H]32)CC1	ZINC001083183915	912621077	/nfs/dbraw/zinc/62/10/77/912621077.db2.gz	DYXATBIKYMLWIG-OKZBNKHCSA-N	1	0	361.486	1.265	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2cncc(C)c2)C[C@H]1C	ZINC000994195549	880988965	/nfs/dbraw/zinc/98/89/65/880988965.db2.gz	YWXNRCBSDONSHF-QRQLOZEOSA-N	1	0	368.481	1.312	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2(C(=O)N(C)C)CC2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001106860685	881174169	/nfs/dbraw/zinc/17/41/69/881174169.db2.gz	LGGJSRUFFJEVFN-CRAIPNDOSA-N	1	0	368.481	1.611	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N(C)C2CC[NH+](CC#Cc3ccccc3)CC2)C1	ZINC001005405377	883236174	/nfs/dbraw/zinc/23/61/74/883236174.db2.gz	DQZYJTRLASHXKS-YLJYHZDGSA-N	1	0	367.493	1.876	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC000999405521	912714517	/nfs/dbraw/zinc/71/45/17/912714517.db2.gz	GTNLATAOWQJAGO-OWQGQXMQSA-N	1	0	361.417	1.582	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1	ZINC000917527294	883520523	/nfs/dbraw/zinc/52/05/23/883520523.db2.gz	FMHVGJPSWPVHLJ-UHFFFAOYSA-N	1	0	355.435	1.211	20	30		FDEDRO
Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC(CO)([NH2+]C(C)C)CC1	ZINC000917554049	883543881	/nfs/dbraw/zinc/54/38/81/883543881.db2.gz	WTMTUMHYCCXIES-UHFFFAOYSA-N	1	0	369.462	1.519	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCc3ccccc32)C[C@@H]1n1ccnn1	ZINC001128811846	883700485	/nfs/dbraw/zinc/70/04/85/883700485.db2.gz	GJLLUDSURXMQPY-QYZOEREBSA-N	1	0	367.453	1.510	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](CCCc2ccsc2)C[C@@H]1n1ccnn1	ZINC001128829718	883754774	/nfs/dbraw/zinc/75/47/74/883754774.db2.gz	JCTCLPHSTUBCTK-BMFZPTHFSA-N	1	0	358.471	1.474	20	30		FDEDRO
CCc1ccccc1C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C#N)[C@@H](n2ccnn2)C1	ZINC001128830168	883755438	/nfs/dbraw/zinc/75/54/38/883755438.db2.gz	NOCCYSMYEWXXER-QGTPRVQTSA-N	1	0	352.442	1.542	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnccc2C)[C@@H](n2ccnn2)C1	ZINC001128845246	883827001	/nfs/dbraw/zinc/82/70/01/883827001.db2.gz	APDVFETZNZSBJG-NXHRZFHOSA-N	1	0	354.458	1.992	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](N(C)C(=O)C#CC3CC3)CC2)CC[N@@H+]1C	ZINC001078957750	883874689	/nfs/dbraw/zinc/87/46/89/883874689.db2.gz	XMDKVEQQTKPEMY-CEXWTWQISA-N	1	0	359.514	1.970	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]CCC[C@@H](C)O)[C@H](C)C1	ZINC001106890691	884063932	/nfs/dbraw/zinc/06/39/32/884063932.db2.gz	BACSHRGDXWQRNN-BRWVUGGUSA-N	1	0	359.470	1.552	20	30		FDEDRO
C#CC[C@@H]1CCCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C1	ZINC000827995668	884079875	/nfs/dbraw/zinc/07/98/75/884079875.db2.gz	GOQFYXVTNVKMOM-MRXNPFEDSA-N	1	0	352.504	1.486	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2ncccc2O)[C@@H](n2ccnn2)C1	ZINC001128913534	884097785	/nfs/dbraw/zinc/09/77/85/884097785.db2.gz	JVALXFXWZCAMAU-CVEARBPZSA-N	1	0	370.457	1.780	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ccccc3F)C2=O)CC1	ZINC000918284290	884285564	/nfs/dbraw/zinc/28/55/64/884285564.db2.gz	PSCLHGMGOUBPPF-INIZCTEOSA-N	1	0	358.417	1.328	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1	ZINC001034397454	884289600	/nfs/dbraw/zinc/28/96/00/884289600.db2.gz	ADEDWIKLMMZFNI-JQHSSLGASA-N	1	0	370.453	1.181	20	30		FDEDRO
Cc1cc(F)cc(C#N)c1S(=O)(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1	ZINC000918368468	884374247	/nfs/dbraw/zinc/37/42/47/884374247.db2.gz	KBMCVWZCXZMOLW-IAGOWNOFSA-N	1	0	351.447	1.968	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(c3snc(Cl)c3C#N)C2)CC[N@@H+]1C	ZINC001061757340	884471836	/nfs/dbraw/zinc/47/18/36/884471836.db2.gz	JGKCOHPNNCSCFW-GRYCIOLGSA-N	1	0	367.906	1.951	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@@H]1n1ccnn1	ZINC001128966802	884481654	/nfs/dbraw/zinc/48/16/54/884481654.db2.gz	OIVSJJQXJQDNRA-JTDSTZFVSA-N	1	0	361.490	1.383	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001128976256	884545313	/nfs/dbraw/zinc/54/53/13/884545313.db2.gz	MBUIYZVGCMPZOO-QRQLOZEOSA-N	1	0	367.453	1.167	20	30		FDEDRO
CC(C)(C)C#CC(=O)N[C@@H]1C[N@H+](CCc2cccs2)C[C@@H]1n1ccnn1	ZINC001128979809	884563733	/nfs/dbraw/zinc/56/37/33/884563733.db2.gz	AMXRCLWXDNGKEQ-SJORKVTESA-N	1	0	371.510	1.973	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCCN(C(=O)CSCC#N)CC2)CC[N@@H+]1C	ZINC001078971524	884652464	/nfs/dbraw/zinc/65/24/64/884652464.db2.gz	ARWZIOIZIXYRDX-BZUAXINKSA-N	1	0	366.531	1.423	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N(C)C2CC[NH+](Cc3ccc(C#N)cc3)CC2)O1	ZINC001005572983	884664845	/nfs/dbraw/zinc/66/48/45/884664845.db2.gz	CROJZXHSVMFATD-OXQOHEQNSA-N	1	0	370.497	1.700	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@@H]1n1ccnn1	ZINC001128990036	884838187	/nfs/dbraw/zinc/83/81/87/884838187.db2.gz	XGMGVBAYYILASX-NXHRZFHOSA-N	1	0	359.474	1.238	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@@H]1n1ccnn1	ZINC001128999264	884950567	/nfs/dbraw/zinc/95/05/67/884950567.db2.gz	ULQQDUBMJQHOMR-SJORKVTESA-N	1	0	361.490	1.486	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](CC)OC)C[C@@H]1n1ccnn1	ZINC001129014785	885130913	/nfs/dbraw/zinc/13/09/13/885130913.db2.gz	RRCPFNDTXRTBPH-KFWWJZLASA-N	1	0	369.897	1.823	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCC(F)(F)C3)C[C@@H]2O)nc1	ZINC001083969522	912917584	/nfs/dbraw/zinc/91/75/84/912917584.db2.gz	GVGCRQJPVCAINR-UAGQMJEPSA-N	1	0	363.408	1.663	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2(CCOC)CC2)[C@@H](n2ccnn2)C1	ZINC001129043511	885520765	/nfs/dbraw/zinc/52/07/65/885520765.db2.gz	ROYRUIBEIRTPKR-ZACQAIPSSA-N	1	0	361.490	1.791	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)c2cccc(CC#N)c2)C1	ZINC000919310779	885562907	/nfs/dbraw/zinc/56/29/07/885562907.db2.gz	UDOZIOQFBFDRSO-GOSISDBHSA-N	1	0	373.453	1.382	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2nc(C)sc2C)[C@@H](n2ccnn2)C1	ZINC001129064429	885651061	/nfs/dbraw/zinc/65/10/61/885651061.db2.gz	DWPWGRHUHQHVAC-CABCVRRESA-N	1	0	360.487	1.973	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)C1=O	ZINC001127486965	885680981	/nfs/dbraw/zinc/68/09/81/885680981.db2.gz	YDUVKQAFTHYQDD-KURKYZTESA-N	1	0	355.482	1.919	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129072014	885695520	/nfs/dbraw/zinc/69/55/20/885695520.db2.gz	SMTBTSSRAPYTPQ-MSOLQXFVSA-N	1	0	355.442	1.065	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)CCc2ccc(OC)nc2)[C@@H](n2ccnn2)C1	ZINC001129098350	885730112	/nfs/dbraw/zinc/73/01/12/885730112.db2.gz	JGDZVVFDTZVZST-SJORKVTESA-N	1	0	370.457	1.232	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cc(C)nn2C)[C@@H](n2ccnn2)C1	ZINC001129098965	885732530	/nfs/dbraw/zinc/73/25/30/885732530.db2.gz	WECLDGGBIDLBQC-NXHRZFHOSA-N	1	0	371.489	1.259	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCCCC3)[C@H](C)C2)cn1	ZINC001106894638	885763408	/nfs/dbraw/zinc/76/34/08/885763408.db2.gz	PXORXUYWFKQLEY-SJLPKXTDSA-N	1	0	368.481	1.373	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)[C@@H](n2ccnn2)C1	ZINC001129118518	885786901	/nfs/dbraw/zinc/78/69/01/885786901.db2.gz	MZFPYXBJORXKKG-KONPQCLYSA-N	1	0	369.473	1.123	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)c2cnn(C)c2)[C@@H](n2ccnn2)C1	ZINC001129128115	885823840	/nfs/dbraw/zinc/82/38/40/885823840.db2.gz	QCBAFDHDXJYMII-NXHRZFHOSA-N	1	0	371.489	1.513	20	30		FDEDRO
C=CCCN1CCO[C@H](CNC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1	ZINC001035401357	885971746	/nfs/dbraw/zinc/97/17/46/885971746.db2.gz	AAAXJPBBSGMVQU-KURKYZTESA-N	1	0	363.502	1.561	20	30		FDEDRO
C#CCCCCCC(=O)N[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@@H]1n1ccnn1	ZINC001129180679	886025835	/nfs/dbraw/zinc/02/58/35/886025835.db2.gz	VPUCAYXBOPLFCD-KURKYZTESA-N	1	0	361.490	1.364	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)Cc2cnoc2)[C@@H](n2ccnn2)C1	ZINC001129184397	886078039	/nfs/dbraw/zinc/07/80/39/886078039.db2.gz	DTTRZFOAPGUMBD-SJORKVTESA-N	1	0	358.446	1.597	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC2(C[NH+](Cc3cccc(C#N)c3)C2)CC1	ZINC001035726139	886383052	/nfs/dbraw/zinc/38/30/52/886383052.db2.gz	MJBWMKDJMGUDMI-LPHOPBHVSA-N	1	0	369.465	1.787	20	30		FDEDRO
CO[C@@H]1C[N@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1NC(=O)C#CC1CC1	ZINC001212245983	886438444	/nfs/dbraw/zinc/43/84/44/886438444.db2.gz	ITGWAIHTUJEPGZ-WOJBJXKFSA-N	1	0	364.449	1.601	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1)C1CC[NH+](C)CC1	ZINC000920029212	886538706	/nfs/dbraw/zinc/53/87/06/886538706.db2.gz	FLVMOHVZXHYAGM-HOCLYGCPSA-N	1	0	355.504	1.081	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1	ZINC000994659389	886569582	/nfs/dbraw/zinc/56/95/82/886569582.db2.gz	QRRIBKIBGKYGPJ-OXQOHEQNSA-N	1	0	371.525	1.733	20	30		FDEDRO
CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)CC3(CC#N)CC3)C2)[C@@H]1C(C)C	ZINC000920301429	886838475	/nfs/dbraw/zinc/83/84/75/886838475.db2.gz	CKYBVCGHFGSMPB-XLMAVXFVSA-N	1	0	369.531	1.469	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CC[N@@H+](C)[C@H]2CCN(C)C2=O)CC1	ZINC001036603998	886904413	/nfs/dbraw/zinc/90/44/13/886904413.db2.gz	WPTIJVRFIWDEGE-SQNIBIBYSA-N	1	0	363.502	1.369	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCCN2C(=O)COc3ccccc32)CC1	ZINC000920417427	886919207	/nfs/dbraw/zinc/91/92/07/886919207.db2.gz	OPKIOOVUZQCGPK-UHFFFAOYSA-N	1	0	370.453	1.199	20	30		FDEDRO
Cc1cc(C#N)nc(N(C)C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001062186182	886970686	/nfs/dbraw/zinc/97/06/86/886970686.db2.gz	GRVJCYGADDTZDP-BFYDXBDKSA-N	1	0	356.474	1.282	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC(CN(C)c3ccc(C#N)nn3)CC2)CC[N@@H+]1C	ZINC001062234826	886991908	/nfs/dbraw/zinc/99/19/08/886991908.db2.gz	OVJMINQBAOWIRL-RHSMWYFYSA-N	1	0	356.474	1.363	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C)CC=CC1)C2	ZINC001005841978	887586811	/nfs/dbraw/zinc/58/68/11/887586811.db2.gz	CFWILKVKEYMQKD-BDXSIMOUSA-N	1	0	355.482	1.688	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCNC(=O)CCCc2ccccc2)CC1	ZINC000922960513	887600789	/nfs/dbraw/zinc/60/07/89/887600789.db2.gz	PCFIRGPXYXCXAF-UHFFFAOYSA-N	1	0	370.497	1.522	20	30		FDEDRO
CO[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1NC(=O)C#CC(C)(C)C	ZINC001212253668	887601175	/nfs/dbraw/zinc/60/11/75/887601175.db2.gz	ICKSIRUHXNKOPC-IPMKNSEASA-N	1	0	358.482	1.455	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F	ZINC000923035533	887861596	/nfs/dbraw/zinc/86/15/96/887861596.db2.gz	MFJMYXUIJXUSMZ-JYJNAYRXSA-N	1	0	354.372	1.735	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C)nn1CCC#N	ZINC000505334818	887943542	/nfs/dbraw/zinc/94/35/42/887943542.db2.gz	FJFGBYTXQUHMIE-UHFFFAOYSA-N	1	0	362.478	1.621	20	30		FDEDRO
CC1(CNC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC[NH2+]CC1	ZINC000415429137	888030731	/nfs/dbraw/zinc/03/07/31/888030731.db2.gz	AWSSXMWIUPJTPH-UHFFFAOYSA-N	1	0	356.405	2.394	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCCc2ccc(C)cc2)C[C@H]1OC	ZINC001212258271	888078377	/nfs/dbraw/zinc/07/83/77/888078377.db2.gz	PWXHCFSGKFXWCN-MISYRCLQSA-N	1	0	358.482	1.781	20	30		FDEDRO
C#CCN(C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1	ZINC000923118120	888079555	/nfs/dbraw/zinc/07/95/55/888079555.db2.gz	GYLDQRSPNNIXMR-YESZJQIVSA-N	1	0	350.507	1.223	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCc3ccccc32)C[C@H]1OC	ZINC001212258519	888082381	/nfs/dbraw/zinc/08/23/81/888082381.db2.gz	VCJASCBPFHRFPF-HSALFYBXSA-N	1	0	356.466	1.919	20	30		FDEDRO
C#CCCN1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1	ZINC000064443459	888119151	/nfs/dbraw/zinc/11/91/51/888119151.db2.gz	JKQKQNGHLLYTQK-UHFFFAOYSA-N	1	0	356.426	1.976	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCc3ccccc3C2)C[C@H]1OC	ZINC001212262729	888172343	/nfs/dbraw/zinc/17/23/43/888172343.db2.gz	XHVDRMDVCBMWLH-IOMROCGXSA-N	1	0	370.493	1.647	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](C[C@H](Cc3ccccc3)OC)C[C@@H]2O)C1	ZINC001083763446	888199779	/nfs/dbraw/zinc/19/97/79/888199779.db2.gz	LHHFPCHHEJMNRV-OTWHNJEPSA-N	1	0	358.482	1.762	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C(C)C)[NH+](C)C)c1	ZINC001005972005	888298513	/nfs/dbraw/zinc/29/85/13/888298513.db2.gz	LZNHWWRWKZHLGR-YRXWBPOGSA-N	1	0	368.481	1.511	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](CC)OC)C[C@H]1OC	ZINC001212267870	888508917	/nfs/dbraw/zinc/50/89/17/888508917.db2.gz	GCUBWEKGVDJOLZ-KZNAEPCWSA-N	1	0	356.507	1.990	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1	ZINC000999769411	913256655	/nfs/dbraw/zinc/25/66/55/913256655.db2.gz	DXMZNXIGNHBMIQ-BBWFWOEESA-N	1	0	371.909	1.199	20	30		FDEDRO
C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	ZINC001089658475	888748648	/nfs/dbraw/zinc/74/86/48/888748648.db2.gz	LAICSTFLVYZFAV-MCIONIFRSA-N	1	0	362.392	1.573	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1	ZINC001060755878	888816723	/nfs/dbraw/zinc/81/67/23/888816723.db2.gz	SWQATZJZLASZJI-ZKXLYKBJSA-N	1	0	365.518	1.709	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1	ZINC000938586566	888826785	/nfs/dbraw/zinc/82/67/85/888826785.db2.gz	AGVYAMWBWYDLMQ-LNLFQRSKSA-N	1	0	363.502	1.513	20	30		FDEDRO
Cn1ccnc1CN(C[C@@H](O)c1ccc(C#N)cc1)[C@H]1CC12CC[NH2+]CC2	ZINC000923342543	888961316	/nfs/dbraw/zinc/96/13/16/888961316.db2.gz	PGLVXANDIIXIRA-MOPGFXCFSA-N	1	0	365.481	1.969	20	30		FDEDRO
CC1(C)CC[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)[N@H+](Cc2cccc(C#N)c2)C1	ZINC001089695276	889132288	/nfs/dbraw/zinc/13/22/88/889132288.db2.gz	HFTMSPVIHWXKKS-KURKYZTESA-N	1	0	368.481	1.786	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H]1C	ZINC001106907999	889216543	/nfs/dbraw/zinc/21/65/43/889216543.db2.gz	LPAKNWBGNWUZGQ-HZSPNIEDSA-N	1	0	352.479	1.117	20	30		FDEDRO
C#Cc1cncc(C(=O)NC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c1	ZINC000946907676	889403297	/nfs/dbraw/zinc/40/32/97/889403297.db2.gz	MZKLMEMMRLTDAJ-RDTXWAMCSA-N	1	0	354.454	1.124	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@H]1C	ZINC001106910134	889403427	/nfs/dbraw/zinc/40/34/27/889403427.db2.gz	RNUYINPKXJDBSD-IJEWVQPXSA-N	1	0	361.873	1.776	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC000946909421	889483041	/nfs/dbraw/zinc/48/30/41/889483041.db2.gz	UCGUBTNZVNGFSE-DDBAPUKQSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)COc1cccc(C)c1	ZINC001127608941	889735272	/nfs/dbraw/zinc/73/52/72/889735272.db2.gz	JLKDJDRUNGMYSG-UHOSZYNNSA-N	1	0	362.470	1.422	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H](NC(=O)/C=C/C(=O)NCc2ccc(OC)cc2)C1	ZINC000923550292	889780436	/nfs/dbraw/zinc/78/04/36/889780436.db2.gz	AHZZCABRDBCOMO-SXSDINLZSA-N	1	0	355.438	1.081	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)COc2c(C)nn(C)c2C)[C@H](OC)C1	ZINC001212291071	889780774	/nfs/dbraw/zinc/78/07/74/889780774.db2.gz	AAPDVLCZQKXUHD-IAOVAPTHSA-N	1	0	364.490	1.586	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CCN(C(=O)C[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000939032806	889848226	/nfs/dbraw/zinc/84/82/26/889848226.db2.gz	ABEMUBRGTKOSKR-ZCNNSNEGSA-N	1	0	371.525	1.827	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1OC	ZINC001212295497	889937766	/nfs/dbraw/zinc/93/77/66/889937766.db2.gz	SMNQBGXGMIEHMI-ZJPYXAASSA-N	1	0	352.475	1.210	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCC(C)C)C[C@H]1OC	ZINC001212295536	889938722	/nfs/dbraw/zinc/93/87/22/889938722.db2.gz	VDSXULAICLHZMI-AKHDSKFASA-N	1	0	368.518	1.846	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)Cc2ccc(F)cc2F)[C@H](OC)C1	ZINC001212301285	889980552	/nfs/dbraw/zinc/98/05/52/889980552.db2.gz	LUKWXHPYMBJTCT-IAGOWNOFSA-N	1	0	354.397	1.525	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F	ZINC001127618004	890008758	/nfs/dbraw/zinc/00/87/58/890008758.db2.gz	OBSZTGWFZJCSPU-FWIFWCIWSA-N	1	0	359.392	1.056	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cnn(CCC)c2)[C@@H](n2ccnn2)C1	ZINC001129293222	890122691	/nfs/dbraw/zinc/12/26/91/890122691.db2.gz	DUYZFAXRRXTFKA-SJORKVTESA-N	1	0	357.462	1.506	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2csc3cncn32)[C@@H](n2ccnn2)C1	ZINC001129294331	890165386	/nfs/dbraw/zinc/16/53/86/890165386.db2.gz	RBGJXEMMBKPWMR-KGLIPLIRSA-N	1	0	371.470	1.609	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(NC(=O)CCC[NH+](C)C)CCC1	ZINC001063204648	890293936	/nfs/dbraw/zinc/29/39/36/890293936.db2.gz	JNXHPMVFYYSNKW-RDJZCZTQSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)NC1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCC1	ZINC001063227239	890350400	/nfs/dbraw/zinc/35/04/00/890350400.db2.gz	JDZBYGNDKMRMAT-IXDOHACOSA-N	1	0	365.518	1.853	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H](CCNc3nccnc3C#N)C2)CC[N@@H+]1C	ZINC001063301837	890427786	/nfs/dbraw/zinc/42/77/86/890427786.db2.gz	FMAOJJNSTKJUNF-BZUAXINKSA-N	1	0	356.474	1.729	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](Nc3ccc(C#N)nn3)CC2)CC[N@@H+]1C	ZINC001063408859	890522364	/nfs/dbraw/zinc/52/23/64/890522364.db2.gz	WXSGFOFOJPPGDB-NXNVCVFFSA-N	1	0	356.474	1.918	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC(c3cccnc3)CC2)CC1	ZINC000672356000	890554277	/nfs/dbraw/zinc/55/42/77/890554277.db2.gz	YUQRUNSSVJUSNN-UHFFFAOYSA-N	1	0	356.470	1.554	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)c1	ZINC000939565500	890896944	/nfs/dbraw/zinc/89/69/44/890896944.db2.gz	RYIXBRKUSKYUEJ-GBESFXJTSA-N	1	0	368.481	1.466	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)CC1	ZINC000939803842	891277399	/nfs/dbraw/zinc/27/73/99/891277399.db2.gz	KNJWSRYUOGYNOT-RDTXWAMCSA-N	1	0	371.485	1.583	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1	ZINC001001933252	891685050	/nfs/dbraw/zinc/68/50/50/891685050.db2.gz	BKCPHYLIOBSXJR-WBAXXEDZSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)COCc2nccn2C)[C@H](OC)C1	ZINC001212444451	891936550	/nfs/dbraw/zinc/93/65/50/891936550.db2.gz	ZPDRKBXOUNCJLN-IAGOWNOFSA-N	1	0	364.490	1.499	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C1	ZINC001002220302	892253662	/nfs/dbraw/zinc/25/36/62/892253662.db2.gz	WRKOOFUZWXJDPE-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(C)=O)C[C@H]2c2ccccc2)CC1	ZINC000940730364	892989836	/nfs/dbraw/zinc/98/98/36/892989836.db2.gz	WXRGCZIZOVSUMD-VQTJNVASSA-N	1	0	353.466	1.462	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(C)C)[C@H](C)C2)CCOCC1	ZINC001106932312	893026352	/nfs/dbraw/zinc/02/63/52/893026352.db2.gz	ZXUBYHZILCYKTO-IAGOWNOFSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCOc3cc(OC)ccc32)CC1	ZINC000672355812	893175110	/nfs/dbraw/zinc/17/51/10/893175110.db2.gz	MIMKPKVPVROGQM-QGZVFWFLSA-N	1	0	373.453	1.402	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCOC[C@H]2c2ccco2)CC1	ZINC000672356771	893182654	/nfs/dbraw/zinc/18/26/54/893182654.db2.gz	LQVQLMHCLZKVIB-INIZCTEOSA-N	1	0	361.442	1.336	20	30		FDEDRO
C#Cc1cncc(C(=O)N(C)C[C@@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1	ZINC001002555277	893201226	/nfs/dbraw/zinc/20/12/26/893201226.db2.gz	IHFSZLRLDPTGCQ-AYOQOUSVSA-N	1	0	368.481	1.466	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CCCN2C(=O)[C@@H]2C[C@H]2C2CC2)CC1	ZINC001002556367	893207116	/nfs/dbraw/zinc/20/71/16/893207116.db2.gz	UELITEHNZCAPIN-HSALFYBXSA-N	1	0	371.525	1.827	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(Cc3ccc(C#N)cc3F)C[C@H]21	ZINC001084232082	913783604	/nfs/dbraw/zinc/78/36/04/913783604.db2.gz	SNQIDVOCRNIUHJ-NZSAHSFTSA-N	1	0	356.445	1.824	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(Cc3cc(C#N)ccc3F)C[C@H]21	ZINC001084232230	913783987	/nfs/dbraw/zinc/78/39/87/913783987.db2.gz	XNESFDHHTCVBSS-AYOQOUSVSA-N	1	0	356.445	1.824	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C2CC2)CC1(C)C	ZINC000941038233	893663235	/nfs/dbraw/zinc/66/32/35/893663235.db2.gz	CQQGKUCDRKGNLH-IKGGRYGDSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2	ZINC001002709628	893677469	/nfs/dbraw/zinc/67/74/69/893677469.db2.gz	PODJBDZAKLBYNL-ZACQAIPSSA-N	1	0	361.486	1.123	20	30		FDEDRO
N#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](C[C@@H](O)c4ccccc4)C[C@H]32)[nH]1	ZINC001084288935	913821010	/nfs/dbraw/zinc/82/10/10/913821010.db2.gz	ICJYPHBIJUWWRZ-ATZDWAIDSA-N	1	0	350.422	1.766	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(OC(C)C)cc2)C[C@H]1C	ZINC001106950458	894008231	/nfs/dbraw/zinc/00/82/31/894008231.db2.gz	JAWBWFKUUHNWGC-SJLPKXTDSA-N	1	0	371.481	1.521	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc3c(s2)CCC3)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106951078	894092676	/nfs/dbraw/zinc/09/26/76/894092676.db2.gz	QDBORPYFJQOKHA-TZMCWYRMSA-N	1	0	360.483	1.174	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(NC(N)=O)cc2)C[C@H]1C	ZINC001106952853	894359918	/nfs/dbraw/zinc/35/99/18/894359918.db2.gz	CTCWVWDFKZXANQ-GDBMZVCRSA-N	1	0	358.442	1.125	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(CC)nn(C)c1CC	ZINC000922022770	894400639	/nfs/dbraw/zinc/40/06/39/894400639.db2.gz	AFAPIZMKLKGHDB-UHFFFAOYSA-N	1	0	352.504	1.263	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C)c(NC(C)=O)c1	ZINC000922022879	894402879	/nfs/dbraw/zinc/40/28/79/894402879.db2.gz	CMIHTVYBIZWWBI-UHFFFAOYSA-N	1	0	363.483	1.672	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc2nsnc21	ZINC000922024034	894432771	/nfs/dbraw/zinc/43/27/71/894432771.db2.gz	ZPWAOMGNVCYTLD-UHFFFAOYSA-N	1	0	350.469	1.409	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C	ZINC000922021658	894465741	/nfs/dbraw/zinc/46/57/41/894465741.db2.gz	BFVWPRUUFZYBNN-UHFFFAOYSA-N	1	0	365.455	1.930	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(OC)c(F)c1C	ZINC000922021995	894466456	/nfs/dbraw/zinc/46/64/56/894466456.db2.gz	DIEIQIAPUTXKKS-UHFFFAOYSA-N	1	0	354.447	1.861	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1cc(C(C)(C)C)on1	ZINC000922022086	894480911	/nfs/dbraw/zinc/48/09/11/894480911.db2.gz	HGONSTGAHXJZBC-UHFFFAOYSA-N	1	0	353.488	1.831	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)CC1(C(=O)OC)CCCCC1	ZINC000922022600	894515428	/nfs/dbraw/zinc/51/54/28/894515428.db2.gz	OUELQKOMRRQXSW-UHFFFAOYSA-N	1	0	370.515	1.469	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C	ZINC000922025389	894535338	/nfs/dbraw/zinc/53/53/38/894535338.db2.gz	ZNYRKRXDSGONTB-UHFFFAOYSA-N	1	0	365.455	1.930	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ncccc1Br	ZINC000922026241	894539714	/nfs/dbraw/zinc/53/97/14/894539714.db2.gz	RTZHPUZWCOFJSL-UHFFFAOYSA-N	1	0	372.288	1.562	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(F)ccc1C(=O)OC	ZINC000922024308	894561803	/nfs/dbraw/zinc/56/18/03/894561803.db2.gz	OWKPYZMONJYGDJ-UHFFFAOYSA-N	1	0	368.430	1.330	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](Cc2cccc(C(N)=O)c2)CC1	ZINC001002847855	894590137	/nfs/dbraw/zinc/59/01/37/894590137.db2.gz	GJJNBSOWJIQBEV-MOPGFXCFSA-N	1	0	371.481	1.847	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](OC)C1	ZINC000941375386	894851793	/nfs/dbraw/zinc/85/17/93/894851793.db2.gz	QIVYYTVWIDCXBR-HZSPNIEDSA-N	1	0	357.882	1.201	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C2C[NH+](C[C@@H](CC)OC)C2)CC1	ZINC000941604051	895365969	/nfs/dbraw/zinc/36/59/69/895365969.db2.gz	PKAZKQFHHLZCJE-QYZOEREBSA-N	1	0	365.518	1.221	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@H](OC)C2)C1	ZINC000941786306	895692314	/nfs/dbraw/zinc/69/23/14/895692314.db2.gz	SCPDFSAUSBQQSP-IAGOWNOFSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000941791884	895770514	/nfs/dbraw/zinc/77/05/14/895770514.db2.gz	HKYZBKPYSWWAMM-NXHRZFHOSA-N	1	0	368.437	1.646	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](OC)C1	ZINC000941915527	895983796	/nfs/dbraw/zinc/98/37/96/895983796.db2.gz	FIHMOCHAGNZHMM-BRWVUGGUSA-N	1	0	363.502	1.273	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](CCc2ccc3c(c2)CCO3)C1	ZINC001031988749	896174950	/nfs/dbraw/zinc/17/49/50/896174950.db2.gz	NIPIUTSHJCCMBU-MOPGFXCFSA-N	1	0	356.466	1.803	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ncc[nH]4)[C@@H]3C2)cc1	ZINC001084330672	914042082	/nfs/dbraw/zinc/04/20/82/914042082.db2.gz	WLPAXQWKOPQOQK-NVXWUHKLSA-N	1	0	351.410	1.659	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3OCC[C@H]3CC)nn2)C1	ZINC000999992827	896533730	/nfs/dbraw/zinc/53/37/30/896533730.db2.gz	QXIOKVZCEIYNPQ-NJAFHUGGSA-N	1	0	361.490	1.922	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC000671109788	896767239	/nfs/dbraw/zinc/76/72/39/896767239.db2.gz	XKXGGFLNIUGDFW-RBUKOAKNSA-N	1	0	355.482	1.987	20	30		FDEDRO
CO[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C	ZINC001212428305	896909845	/nfs/dbraw/zinc/90/98/45/896909845.db2.gz	WKTMVJDVTJKGFC-VAMGGRTRSA-N	1	0	370.497	1.748	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cc2ccc(F)cc2)C[C@H]1OC	ZINC001212348856	896916504	/nfs/dbraw/zinc/91/65/04/896916504.db2.gz	CVFCLAYDAIOLRM-GUDVDZBRSA-N	1	0	364.461	1.901	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1	ZINC001084350727	914146939	/nfs/dbraw/zinc/14/69/39/914146939.db2.gz	LWBAHCJPPTYXKJ-UTRMSSBJSA-N	1	0	366.465	1.506	20	30		FDEDRO
C#CC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)n1	ZINC001128133409	897438690	/nfs/dbraw/zinc/43/86/90/897438690.db2.gz	XIEGDEHROUHHTB-TVFCKZIOSA-N	1	0	354.454	1.067	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3ccc(C)o3)n[nH]2)C[C@H]1C	ZINC001106983852	897512145	/nfs/dbraw/zinc/51/21/45/897512145.db2.gz	MZGTUQQXTHAOOO-GDBMZVCRSA-N	1	0	370.453	1.926	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@H]2OCCO[C@H]2C)C1	ZINC000995269999	897674610	/nfs/dbraw/zinc/67/46/10/897674610.db2.gz	ZQVVKFPFACSRLF-IHPCNDPISA-N	1	0	371.481	1.559	20	30		FDEDRO
CC[C@@H](C(=O)N1CC[C@@]2(CNC(=O)c3c[nH]c(C#N)c3)CCC[C@@H]12)[NH+](C)C	ZINC000995279490	897790977	/nfs/dbraw/zinc/79/09/77/897790977.db2.gz	WMIRTOOANVOQPQ-SQGPQFPESA-N	1	0	371.485	1.728	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)[N@H+](CC)C[C@H]2C)cc1	ZINC000765931221	898178632	/nfs/dbraw/zinc/17/86/32/898178632.db2.gz	GNGGVAZPJSOBBQ-HUUCEWRRSA-N	1	0	363.483	1.153	20	30		FDEDRO
Cc1cc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)cc(C)c1F	ZINC001106993760	898192223	/nfs/dbraw/zinc/19/22/23/898192223.db2.gz	REOXKMWCCZYBOA-GDBMZVCRSA-N	1	0	360.433	1.380	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC000942981329	898228905	/nfs/dbraw/zinc/22/89/05/898228905.db2.gz	WJGTZRGOGFOTBI-ZACQAIPSSA-N	1	0	361.486	1.123	20	30		FDEDRO
CC[C@@H](C)C(=O)NCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1	ZINC001106994608	898272677	/nfs/dbraw/zinc/27/26/77/898272677.db2.gz	PJZBLKJXDIOHOO-GPMSIDNRSA-N	1	0	370.497	1.905	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CCCCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000943286156	898623683	/nfs/dbraw/zinc/62/36/83/898623683.db2.gz	MJPKMJKZFGMBJO-UKPHBRMFSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1	ZINC000943270423	898644012	/nfs/dbraw/zinc/64/40/12/898644012.db2.gz	NPIZZOCCQFEFSW-AOIWGVFYSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1	ZINC000943341885	898759904	/nfs/dbraw/zinc/75/99/04/898759904.db2.gz	PSVBXEXFQGCVIG-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cnccc2C)C1	ZINC001078471730	898798747	/nfs/dbraw/zinc/79/87/47/898798747.db2.gz	CESZJXWRJQZXNV-OTWHNJEPSA-N	1	0	359.470	1.688	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cn(C)nc2C)C1	ZINC001078472207	898801810	/nfs/dbraw/zinc/80/18/10/898801810.db2.gz	QPRJUUDXEVPUJK-KURKYZTESA-N	1	0	362.474	1.027	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@H+](CCc2cnn(C)c2)CC1	ZINC001001257513	898931060	/nfs/dbraw/zinc/93/10/60/898931060.db2.gz	UHQXPSOJLDJOPC-OALUTQOASA-N	1	0	358.486	1.692	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2C[C@H]2c2ccco2)CC1	ZINC001078671978	898977471	/nfs/dbraw/zinc/97/74/71/898977471.db2.gz	BDWYVJGKEZOFKA-CGTJXYLNSA-N	1	0	371.481	1.739	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)C[N@@H+](C)C2CCC2)C1	ZINC000943552288	899007319	/nfs/dbraw/zinc/00/73/19/899007319.db2.gz	YMOBSMOQDAJHIW-JQHSSLGASA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(=O)[nH]c(C3CC3)n2)[C@H](OC)C1	ZINC001212442163	899053068	/nfs/dbraw/zinc/05/30/68/899053068.db2.gz	DXQKBHMHBLDXLE-DAXOMENPSA-N	1	0	360.458	1.843	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC(F)(F)F)n2)[C@H](OC)C1	ZINC001212442683	899116285	/nfs/dbraw/zinc/11/62/85/899116285.db2.gz	UMTFXFKFUDSWMV-ZIAGYGMSSA-N	1	0	360.380	1.841	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)N[C@@H]2CN(Cc3ccc(C#N)s3)C[C@@H]2O)C1	ZINC001083781100	899293644	/nfs/dbraw/zinc/29/36/44/899293644.db2.gz	UULURCOTXDZOIP-CVEARBPZSA-N	1	0	362.499	1.013	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C)c1nnnn1C	ZINC001107017319	899554870	/nfs/dbraw/zinc/55/48/70/899554870.db2.gz	STFDASNLQNGMJI-JFIYKMOQSA-N	1	0	366.469	1.397	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)C[C@H]1C	ZINC001107023143	899616454	/nfs/dbraw/zinc/61/64/54/899616454.db2.gz	GZQAPHQUGMDPRA-BZUAXINKSA-N	1	0	359.536	1.307	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)N2CCCCC2=O)C[C@H]1C	ZINC001107026426	899630503	/nfs/dbraw/zinc/63/05/03/899630503.db2.gz	PDWHTZMXOZUPTJ-IXDOHACOSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]nc3ccccc32)C[C@H]1C	ZINC001107029580	899642121	/nfs/dbraw/zinc/64/21/21/899642121.db2.gz	WIMZZMWNKPNPQX-HZPDHXFCSA-N	1	0	356.470	1.992	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)C[NH+]1CCCC1	ZINC000944031273	899744436	/nfs/dbraw/zinc/74/44/36/899744436.db2.gz	UFLHDVYXPDUIAP-AOIWGVFYSA-N	1	0	363.502	1.561	20	30		FDEDRO
Cc1cccc(C2(C(=O)N3C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C3)CC2)c1	ZINC001107037470	900018779	/nfs/dbraw/zinc/01/87/79/900018779.db2.gz	KBWGNINEBOSPDE-IAGOWNOFSA-N	1	0	368.481	1.351	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1CCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000944618916	900383642	/nfs/dbraw/zinc/38/36/42/900383642.db2.gz	QQKNETMYRHAEPM-YESZJQIVSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C(C)C)[C@H](C)C1	ZINC001107063033	900392538	/nfs/dbraw/zinc/39/25/38/900392538.db2.gz	ZYGQUJQCAZNEST-QLFBSQMISA-N	1	0	350.467	1.029	20	30		FDEDRO
[NH2+]=C(NCCc1ccccc1)NCc1ccc(N2CCCS2(=O)=O)cc1	ZINC000185587836	900816564	/nfs/dbraw/zinc/81/65/64/900816564.db2.gz	UTJBOCJHXMAEQX-UHFFFAOYSA-N	1	0	372.494	1.874	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)NCc1ccc(S(=O)(=O)N(CC)CC)cc1	ZINC000763954626	900959793	/nfs/dbraw/zinc/95/97/93/900959793.db2.gz	QRHVTUWHMHYJRY-UHFFFAOYSA-N	1	0	353.488	1.451	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(c3nc(C)ccc3C#N)CCO2)CC[N@@H+]1C	ZINC001063670562	901091787	/nfs/dbraw/zinc/09/17/87/901091787.db2.gz	LBUNZJKUZOYYTO-FGTMMUONSA-N	1	0	371.485	1.313	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC2(CNC(=O)[C@]34C[C@H]3CCC4)CCC2)CC1	ZINC001063954801	901193391	/nfs/dbraw/zinc/19/33/91/901193391.db2.gz	HGCRQLHXLAQFGA-DYESRHJHSA-N	1	0	357.498	1.677	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC(CCN(C)c3cnc(C#N)cn3)CC2)CC[N@@H+]1C	ZINC001063974944	901221459	/nfs/dbraw/zinc/22/14/59/901221459.db2.gz	VURZOWDQSSLJDZ-CRAIPNDOSA-N	1	0	370.501	1.753	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(C[C@H](c2ccccc2OC)[NH+]2CCCC2)C1=O	ZINC000348492245	901319052	/nfs/dbraw/zinc/31/90/52/901319052.db2.gz	YOTAXDMBPGHIEJ-IAGOWNOFSA-N	1	0	373.453	1.955	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(-c3noc(C4(C#N)CCOCC4)n3)cn2)CC1	ZINC000350107583	901525631	/nfs/dbraw/zinc/52/56/31/901525631.db2.gz	IHGXAVUZVSMYHP-UHFFFAOYSA-N	1	0	368.441	1.845	20	30		FDEDRO
N#Cc1nccnc1N1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1	ZINC001090317797	901650422	/nfs/dbraw/zinc/65/04/22/901650422.db2.gz	JFJLNCAXDLGYTE-FUHWJXTLSA-N	1	0	368.485	1.651	20	30		FDEDRO
N#Cc1cncc(N2C[C@@H]3CCN(C(=O)CCC[NH+]4CCCCC4)[C@@H]3C2)n1	ZINC001090317847	901650511	/nfs/dbraw/zinc/65/05/11/901650511.db2.gz	LHRYJVXRSSSHPC-FUHWJXTLSA-N	1	0	368.485	1.651	20	30		FDEDRO
C=CCCn1cc(-c2nc(-c3cc(N4CC[NH+](C)CC4)ccn3)no2)nn1	ZINC000351364444	901779522	/nfs/dbraw/zinc/77/95/22/901779522.db2.gz	XOGBFBAGARVKIA-UHFFFAOYSA-N	1	0	366.429	1.718	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(C(=O)C#CC(C)(C)C)CCO2)CC[N@@H+]1C	ZINC001065141481	901876996	/nfs/dbraw/zinc/87/69/96/901876996.db2.gz	FXADIAFTGWRVKS-YESZJQIVSA-N	1	0	363.502	1.110	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2cncc(C#N)n2)CC[N@@H+]1C	ZINC001065170489	901881525	/nfs/dbraw/zinc/88/15/25/901881525.db2.gz	JGUUDNKFTVZHIA-VSZNYVQBSA-N	1	0	368.485	1.648	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1CCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001065161413	901891578	/nfs/dbraw/zinc/89/15/78/901891578.db2.gz	OYXUQFTVRNYUPS-YESZJQIVSA-N	1	0	365.518	1.663	20	30		FDEDRO
CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2c[nH]c(C#N)c2)C1	ZINC001079131531	901944169	/nfs/dbraw/zinc/94/41/69/901944169.db2.gz	YPZPCSBBQHFLNB-RTBURBONSA-N	1	0	352.438	1.984	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccnnc2)C1	ZINC001079144877	901954700	/nfs/dbraw/zinc/95/47/00/901954700.db2.gz	FAHWAYLZLBXVTP-RTBURBONSA-N	1	0	350.422	1.187	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cc(CC)on2)C1	ZINC001079146321	901963899	/nfs/dbraw/zinc/96/38/99/901963899.db2.gz	DUOZLMCGISSXDL-WOJBJXKFSA-N	1	0	367.449	1.948	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cncnc2)CC[C@H]1c1ccc(F)cc1	ZINC001079151241	901984159	/nfs/dbraw/zinc/98/41/59/901984159.db2.gz	HWBCKMYELNPCCO-RBUKOAKNSA-N	1	0	352.413	1.766	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2N)CC[C@H]1c1ccc(F)cc1	ZINC001079151457	901985935	/nfs/dbraw/zinc/98/59/35/901985935.db2.gz	TWTQDAITRUGQFH-DOTOQJQBSA-N	1	0	355.417	1.363	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1c1ccc(F)cc1	ZINC001079152615	901988352	/nfs/dbraw/zinc/98/83/52/901988352.db2.gz	VAMGCGCGWGWCRH-DLBZAZTESA-N	1	0	358.421	1.363	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC(=O)N(C)C2)C1	ZINC001079135688	902000552	/nfs/dbraw/zinc/00/05/52/902000552.db2.gz	HTBITLCUOBWUMG-GUDVDZBRSA-N	1	0	371.481	1.115	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC(=O)N(C)C2)C1	ZINC001079135689	902001610	/nfs/dbraw/zinc/00/16/10/902001610.db2.gz	HTBITLCUOBWUMG-IPMKNSEASA-N	1	0	371.481	1.115	20	30		FDEDRO
C=CCCC(=O)N1CCOC2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1	ZINC001079137248	902011894	/nfs/dbraw/zinc/01/18/94/902011894.db2.gz	CRFVBSKJOYWNGE-IAGOWNOFSA-N	1	0	363.502	1.513	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2c[nH]c(=O)n2C)C1	ZINC001079140501	902027885	/nfs/dbraw/zinc/02/78/85/902027885.db2.gz	LORJFEMJOHUBGV-QZTJIDSGSA-N	1	0	370.453	1.389	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)CC[C@H]1c1ccc(F)cc1	ZINC001079154511	902068274	/nfs/dbraw/zinc/06/82/74/902068274.db2.gz	HFWPDUBXZADGIS-RYQLBKOJSA-N	1	0	357.429	1.259	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)CC[C@H]1c1ccc(F)cc1	ZINC001079154508	902068345	/nfs/dbraw/zinc/06/83/45/902068345.db2.gz	HBVVAUJLVITMPU-RCCFBDPRSA-N	1	0	359.445	1.812	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+]CCO)C1	ZINC001079159006	902080586	/nfs/dbraw/zinc/08/05/86/902080586.db2.gz	FLZWHJKGMALAMX-MANSERQUSA-N	1	0	362.445	1.683	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CC[C@H]1c1ccc(F)cc1	ZINC001079161491	902086975	/nfs/dbraw/zinc/08/69/75/902086975.db2.gz	SIYSXNQNTDCWLE-OKZBNKHCSA-N	1	0	359.445	1.955	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)nn2)CC[C@H]1c1ccc(F)cc1	ZINC001079161433	902087221	/nfs/dbraw/zinc/08/72/21/902087221.db2.gz	PDTIGZFSZPZWPL-FUHWJXTLSA-N	1	0	368.412	1.845	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cn2ccccc2=O)CC[C@H]1c1ccc(F)cc1	ZINC001079162617	902088475	/nfs/dbraw/zinc/08/84/75/902088475.db2.gz	SVDJPGDAULEMDP-RBUKOAKNSA-N	1	0	367.424	1.595	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1c1cccc(F)c1	ZINC001079198605	902097860	/nfs/dbraw/zinc/09/78/60/902097860.db2.gz	JJUHKXIDCQASCK-QKLQHJQFSA-N	1	0	359.445	1.812	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2OC)C[C@H]1c1cccc(F)c1	ZINC001079208385	902116147	/nfs/dbraw/zinc/11/61/47/902116147.db2.gz	QBWKHJMIAGEVMK-DLBZAZTESA-N	1	0	356.401	1.399	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)N(C)C2)C[C@H]1c1cccc(F)c1	ZINC001079210923	902120996	/nfs/dbraw/zinc/12/09/96/902120996.db2.gz	IOOPYORQNCYNBO-RYQLBKOJSA-N	1	0	357.429	1.211	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn3ncccc23)C[C@H]1c1cccc(F)c1	ZINC001079187409	902133571	/nfs/dbraw/zinc/13/35/71/902133571.db2.gz	DMNVZEIKJATXIN-ZWKOTPCHSA-N	1	0	363.396	1.699	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cn(C)nc2C)C[C@H]1c1cccc(F)c1	ZINC001079187707	902135719	/nfs/dbraw/zinc/13/57/19/902135719.db2.gz	VCOGYAMFUMNLTR-RBUKOAKNSA-N	1	0	354.429	1.628	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)cn2C)C[C@H]1c1cccc(F)c1	ZINC001079190232	902144700	/nfs/dbraw/zinc/14/47/00/902144700.db2.gz	HDEDHOJXUWFBLJ-DLBZAZTESA-N	1	0	368.412	1.094	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(OC)n(C)n2)C[C@H]1c1cccc(F)c1	ZINC001079190553	902146019	/nfs/dbraw/zinc/14/60/19/902146019.db2.gz	ZFTHMHQYYLEQSG-DOTOQJQBSA-N	1	0	356.401	1.399	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc3nccn3c2)C[C@H]1c1cccc(F)c1	ZINC001079191624	902149090	/nfs/dbraw/zinc/14/90/90/902149090.db2.gz	ZGFVIGGLVZEUJF-ZWKOTPCHSA-N	1	0	363.396	1.699	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@H]1c1cccc(F)c1	ZINC001079194664	902154587	/nfs/dbraw/zinc/15/45/87/902154587.db2.gz	FXPXOACPGKAICW-KSZLIROESA-N	1	0	359.445	1.907	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3nn[nH]c32)C[C@H]1c1cccc(F)c1	ZINC001079195099	902155980	/nfs/dbraw/zinc/15/59/80/902155980.db2.gz	CYONUBYRAXFVHI-SOLBZPMBSA-N	1	0	367.428	1.581	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)C[C@H]1c1cccc(F)c1	ZINC001079195438	902157403	/nfs/dbraw/zinc/15/74/03/902157403.db2.gz	VLZCTMAFTVGPJI-QKLQHJQFSA-N	1	0	359.445	1.812	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)C[C@@H]3CCCCO3)[C@@H]3COC[C@@H]32)CC1	ZINC001079234490	902171756	/nfs/dbraw/zinc/17/17/56/902171756.db2.gz	NXMSAIABLZIQBK-GBESFXJTSA-N	1	0	360.498	1.908	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCNC(=O)C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079235948	902175550	/nfs/dbraw/zinc/17/55/50/902175550.db2.gz	ZGTGAFOXZKWOFF-YESZJQIVSA-N	1	0	361.486	1.028	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3snnc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079221630	902221549	/nfs/dbraw/zinc/22/15/49/902221549.db2.gz	DXGJDEJRDNLBMD-LSDHHAIUSA-N	1	0	362.499	1.976	20	30		FDEDRO
Cc1ncoc1C[NH+]1CCC2(CN(C(=O)[C@H](C)C#N)[C@@H]3COC[C@@H]32)CC1	ZINC001079228430	902242018	/nfs/dbraw/zinc/24/20/18/902242018.db2.gz	LZZJUBFFGUDPSF-VNQPRFMTSA-N	1	0	358.442	1.582	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CN(C(=O)c3nccnc3N)[C@@H]3COC[C@@H]32)CC1	ZINC001079230281	902247756	/nfs/dbraw/zinc/24/77/56/902247756.db2.gz	VMPJMCAAUCVSNS-JKSUJKDBSA-N	1	0	371.485	1.578	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cnn4c3CCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079244866	902250810	/nfs/dbraw/zinc/25/08/10/902250810.db2.gz	JXUBZHWXECSDET-PKOBYXMFSA-N	1	0	368.481	1.406	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)C[C@H]3CCNC3=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079245030	902252772	/nfs/dbraw/zinc/25/27/72/902252772.db2.gz	UBXYUWKRAWVJPS-IXDOHACOSA-N	1	0	361.486	1.028	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)Cc3cnccc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079245634	902254475	/nfs/dbraw/zinc/25/44/75/902254475.db2.gz	DCKRGBCDLYWAGD-VQTJNVASSA-N	1	0	367.493	1.895	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC2(CCN(CC#N)CC2)[C@H]2COC[C@H]21	ZINC001079246141	902256809	/nfs/dbraw/zinc/25/68/09/902256809.db2.gz	RTSHGHKGAKZXDY-FGTMMUONSA-N	1	0	360.502	1.324	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3OCC[C@H]3CC)[C@@H]3COC[C@@H]32)CC1	ZINC001079247248	902261236	/nfs/dbraw/zinc/26/12/36/902261236.db2.gz	UKPQJVGPCSEEHR-HCXYKTFWSA-N	1	0	360.498	1.764	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)CCc3cccnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079249923	902265601	/nfs/dbraw/zinc/26/56/01/902265601.db2.gz	BNHQWHDPVPQSOA-VQTJNVASSA-N	1	0	367.493	1.977	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)CCN3CCCC3=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079273504	902265649	/nfs/dbraw/zinc/26/56/49/902265649.db2.gz	CYILAMOABWDOOO-DLBZAZTESA-N	1	0	361.486	1.124	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ccnc(OC)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079250249	902268723	/nfs/dbraw/zinc/26/87/23/902268723.db2.gz	VFYVTTZANUQAJV-DLBZAZTESA-N	1	0	355.438	1.276	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cc(Cl)n(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079251020	902269338	/nfs/dbraw/zinc/26/93/38/902269338.db2.gz	AOOVJFZKUJIVCN-DZGCQCFKSA-N	1	0	364.877	1.813	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cccn4nccc34)[C@@H]3COC[C@@H]32)CC1	ZINC001079250326	902269647	/nfs/dbraw/zinc/26/96/47/902269647.db2.gz	YAXNXHCDLOQBSJ-PKOBYXMFSA-N	1	0	364.449	1.521	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)[C@@H]3COC[C@@H]32)CC1	ZINC001079253076	902276120	/nfs/dbraw/zinc/27/61/20/902276120.db2.gz	ZEYZZOJPDFYNOU-LTFXXXRZSA-N	1	0	358.482	1.374	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCc4nn[nH]c43)[C@@H]3COC[C@@H]32)CC1	ZINC001079256939	902286287	/nfs/dbraw/zinc/28/62/87/902286287.db2.gz	NDBVFJRCHXPRJN-YQQAZPJKSA-N	1	0	371.485	1.350	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@]3(F)CCOC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079257074	902287645	/nfs/dbraw/zinc/28/76/45/902287645.db2.gz	SANKVIXIZVUTQL-FRQCXROJSA-N	1	0	352.450	1.631	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cc(C)nn3CC)[C@@H]3COC[C@@H]32)CC1	ZINC001079263015	902303906	/nfs/dbraw/zinc/30/39/06/902303906.db2.gz	IMHHMAWRIAAUBX-PKOBYXMFSA-N	1	0	370.497	1.788	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3ccnc(N(C)C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079263346	902305258	/nfs/dbraw/zinc/30/52/58/902305258.db2.gz	RFIDLQKYBNWGNM-ZWKOTPCHSA-N	1	0	370.497	1.887	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3ccc(C)[nH]c3=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079263679	902306945	/nfs/dbraw/zinc/30/69/45/902306945.db2.gz	GQMKKKWNZBDSBP-ZWKOTPCHSA-N	1	0	369.465	1.672	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3ccn(CC)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079265495	902311955	/nfs/dbraw/zinc/31/19/55/902311955.db2.gz	LRARZZDEUXHPCV-FUHWJXTLSA-N	1	0	356.470	1.479	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ncc4n3CCCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079273883	902318461	/nfs/dbraw/zinc/31/84/61/902318461.db2.gz	UWGGZXSMJVCYAD-ZWKOTPCHSA-N	1	0	368.481	1.406	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cnn(C4CCC4)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079242401	902337765	/nfs/dbraw/zinc/33/77/65/902337765.db2.gz	XZZLYNAHVODHRO-RBUKOAKNSA-N	1	0	368.481	1.794	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1c1ccccc1F	ZINC001079299421	902343259	/nfs/dbraw/zinc/34/32/59/902343259.db2.gz	PHXJCVDXTDNSQF-FUHWJXTLSA-N	1	0	353.397	1.355	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ccc(C)nc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079274285	902354853	/nfs/dbraw/zinc/35/48/53/902354853.db2.gz	LKHIZPYEHXXQRS-RBUKOAKNSA-N	1	0	353.466	1.885	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)[C@H](C)c3cnn(C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079276354	902361110	/nfs/dbraw/zinc/36/11/10/902361110.db2.gz	GLUHBSHXDFVIFA-NZSAHSFTSA-N	1	0	370.497	1.486	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CCO)C1	ZINC001079295390	902399317	/nfs/dbraw/zinc/39/93/17/902399317.db2.gz	DHZKTTOHEVEAPY-JFRXWTBNSA-N	1	0	362.445	1.683	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccnc3ccnn32)C[C@H]1c1ccccc1F	ZINC001079298805	902406104	/nfs/dbraw/zinc/40/61/04/902406104.db2.gz	HQQSJIUREYKKQN-DOTOQJQBSA-N	1	0	363.396	1.699	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC(=O)NC2)C[C@H]1c1ccccc1F	ZINC001079298921	902406412	/nfs/dbraw/zinc/40/64/12/902406412.db2.gz	NICJHXFYNBNGPI-UWWQBHOKSA-N	1	0	357.429	1.259	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC(=O)N2C)C[C@H]1c1ccccc1F	ZINC001079319913	902422015	/nfs/dbraw/zinc/42/20/15/902422015.db2.gz	WJJPSSFKFFBWBQ-JQHSSLGASA-N	1	0	357.429	1.354	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)C2)C[C@H]1c1ccccc1F	ZINC001079322345	902426393	/nfs/dbraw/zinc/42/63/93/902426393.db2.gz	PVCXMERYJODGRK-UWWQBHOKSA-N	1	0	357.429	1.211	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)C[C@H]1c1ccccc1F	ZINC001079323698	902427714	/nfs/dbraw/zinc/42/77/14/902427714.db2.gz	YMJJRFRPBBSMFO-UAGQMJEPSA-N	1	0	360.433	1.439	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn3cccnc23)C[C@H]1c1ccccc1F	ZINC001079305115	902436615	/nfs/dbraw/zinc/43/66/15/902436615.db2.gz	MCNXUBZADLNJIR-FUHWJXTLSA-N	1	0	363.396	1.699	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)C[C@H]1c1ccccc1F	ZINC001079307592	902440413	/nfs/dbraw/zinc/44/04/13/902440413.db2.gz	SWKRSWRESJFXHF-VPWXQRGCSA-N	1	0	357.429	1.259	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3CCCOC3)C2)cc1C#N	ZINC001079481725	902625585	/nfs/dbraw/zinc/62/55/85/902625585.db2.gz	SJNYJZININQUPB-UWWQBHOKSA-N	1	0	357.454	1.930	20	30		FDEDRO
CC[C@@H]1CCCCN1C(=O)CN1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1	ZINC001079540891	902775409	/nfs/dbraw/zinc/77/54/09/902775409.db2.gz	ZKZKUYRMHNWNCE-QGPMSJSTSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=CCOCCCC(=O)N(CC)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001079552978	902788243	/nfs/dbraw/zinc/78/82/43/902788243.db2.gz	QFGOWVRCEZWOMV-NVXWUHKLSA-N	1	0	351.491	1.369	20	30		FDEDRO
Cc1cccn(CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2C)c1=O	ZINC001079690401	903059388	/nfs/dbraw/zinc/05/93/88/903059388.db2.gz	ZOBNAUDLXHCSMC-VQIMIIECSA-N	1	0	364.449	1.665	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C#N)[nH]1)C2	ZINC000996108718	903110964	/nfs/dbraw/zinc/11/09/64/903110964.db2.gz	OEXWCHKJXVWPMU-LAVFITLUSA-N	1	0	369.469	1.621	20	30		FDEDRO
C=C(Br)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1	ZINC001079710606	903121397	/nfs/dbraw/zinc/12/13/97/903121397.db2.gz	PLGWWFQZJAMYEB-BYCMXARLSA-N	1	0	356.308	1.673	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1C	ZINC001079721283	903137544	/nfs/dbraw/zinc/13/75/44/903137544.db2.gz	WNYFOHBBVOVMGU-AXUOBQJMSA-N	1	0	360.502	1.918	20	30		FDEDRO
COc1ccc(C#N)cc1CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001079726420	903146465	/nfs/dbraw/zinc/14/64/65/903146465.db2.gz	UISFJDMOUFHSBX-OHDICMOHSA-N	1	0	370.497	1.844	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c[nH]c(C#N)c2)C3)C1	ZINC000996121525	903150000	/nfs/dbraw/zinc/15/00/00/903150000.db2.gz	WGTMUOCTUXJTSL-IEAZIUSSSA-N	1	0	355.442	1.090	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(C#N)c1)C2	ZINC000996126222	903160718	/nfs/dbraw/zinc/16/07/18/903160718.db2.gz	LRYVWSSNXVTQAL-OWSLCNJRSA-N	1	0	369.469	1.622	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[NH+]3CCC2CC3)c[nH]1	ZINC000996126976	903161857	/nfs/dbraw/zinc/16/18/57/903161857.db2.gz	NZUTXKQPARUZQN-OWSLCNJRSA-N	1	0	367.453	1.090	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C(C)(C)C1	ZINC000996311719	903674110	/nfs/dbraw/zinc/67/41/10/903674110.db2.gz	ULQPDJNXUHFBCK-SQNIBIBYSA-N	1	0	368.481	1.609	20	30		FDEDRO
C=CCC[C@@H](C)[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)nn2)C1	ZINC001107185169	903687814	/nfs/dbraw/zinc/68/78/14/903687814.db2.gz	LDOXACWCZRFEOF-YSVXCWOHSA-N	1	0	371.485	1.529	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1cnc2n1CCOC2	ZINC001079894947	903693878	/nfs/dbraw/zinc/69/38/78/903693878.db2.gz	LOXBBCJHWAPRQY-RHSMWYFYSA-N	1	0	365.437	1.535	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C3CC(OC)C3)C2)cc1C#N	ZINC001079920547	903715804	/nfs/dbraw/zinc/71/58/04/903715804.db2.gz	DPHXNFLHRXNDEN-WGDNJCCTSA-N	1	0	357.454	1.928	20	30		FDEDRO
CC(=O)NCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccc(C#N)s1)CC2	ZINC001107255095	904153374	/nfs/dbraw/zinc/15/33/74/904153374.db2.gz	QZBGPUDDHPDEEW-SJLPKXTDSA-N	1	0	360.483	1.617	20	30		FDEDRO
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C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C(=O)N1CC[C@H](C)C1	ZINC001080746095	906108242	/nfs/dbraw/zinc/10/82/42/906108242.db2.gz	XYMODUWRLMNHCR-HDMKZQKVSA-N	1	0	354.454	1.363	20	30		FDEDRO
CC(C)n1cccc1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107633421	906152609	/nfs/dbraw/zinc/15/26/09/906152609.db2.gz	SUKIVZXHGGXFMQ-YLJYHZDGSA-N	1	0	371.485	1.683	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1CCc2n[nH]nc2C1	ZINC001080774234	906228118	/nfs/dbraw/zinc/22/81/18/906228118.db2.gz	IIPANZZWWISNDX-ACWOFJMJSA-N	1	0	364.453	1.418	20	30		FDEDRO
C[C@@H]1CN(Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001080779465	906243075	/nfs/dbraw/zinc/24/30/75/906243075.db2.gz	OUJJXBJOXDDLGV-ZRGWGRIASA-N	1	0	358.461	1.976	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3cccc(C)c3)C[C@H]2OC)nn1	ZINC001082214097	906302042	/nfs/dbraw/zinc/30/20/42/906302042.db2.gz	NTCQWZFWRSNVKB-SZVBFZGTSA-N	1	0	369.469	1.963	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3F)C[C@H]2C)nc1	ZINC001080810704	906365286	/nfs/dbraw/zinc/36/52/86/906365286.db2.gz	ZAPLJSBPGPSKMO-JSNMRZPZSA-N	1	0	367.424	1.986	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)C[N@@H+](C)CCC	ZINC001077665052	906503091	/nfs/dbraw/zinc/50/30/91/906503091.db2.gz	BVTSUAUHTCLRMQ-BQFCYCMXSA-N	1	0	353.507	1.711	20	30		FDEDRO
CC(=O)N1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2C)CC1	ZINC001080915731	906658520	/nfs/dbraw/zinc/65/85/20/906658520.db2.gz	KXJAVESYTDNZPE-FOIQADDNSA-N	1	0	368.481	1.753	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)Cn1ccccc1=O	ZINC001080919281	906669788	/nfs/dbraw/zinc/66/97/88/906669788.db2.gz	UPGDQZBVZHLYJC-CRAIPNDOSA-N	1	0	350.422	1.357	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C(=O)N(C)C)[C@H](OC)C1	ZINC001082330840	906797733	/nfs/dbraw/zinc/79/77/33/906797733.db2.gz	MIFVCRDQQXXSNF-QZTJIDSGSA-N	1	0	359.470	1.784	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC3CC(OCC)C3)C[C@H]2OC)cn1	ZINC001082333627	906828524	/nfs/dbraw/zinc/82/85/24/906828524.db2.gz	REWJWMUMMYEUGI-UNLQRWGISA-N	1	0	357.454	1.307	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H](OC)C3CCC3)C[C@H]2OC)cn1	ZINC001082334065	906832179	/nfs/dbraw/zinc/83/21/79/906832179.db2.gz	QNSMNRFSHZGZGH-CEXWTWQISA-N	1	0	357.454	1.307	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCc3cccs3)C[C@H]2OC)cn1	ZINC001082334008	906832549	/nfs/dbraw/zinc/83/25/49/906832549.db2.gz	NTIMVXRJQFYFIM-QZTJIDSGSA-N	1	0	355.463	1.796	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](NC(=O)C2CCC(C(=O)N(C)C)CC2)[C@H](OC)C1	ZINC001082322548	906869454	/nfs/dbraw/zinc/86/94/54/906869454.db2.gz	YZJWWWQZCPXHLO-BHUNQDJPSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)C3CC3)C[C@H]2c2ccccc2)C1=O	ZINC001081076173	907122954	/nfs/dbraw/zinc/12/29/54/907122954.db2.gz	WESDRPSSABCBGR-GBESFXJTSA-N	1	0	353.466	1.768	20	30		FDEDRO
CCn1nncc1C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1ccccc1	ZINC001081115683	907217539	/nfs/dbraw/zinc/21/75/39/907217539.db2.gz	IQHIYCFKBRNDHC-VQTJNVASSA-N	1	0	363.465	1.796	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COc2c(C)nn(C)c2C)C[C@H]1c1ccccc1	ZINC001081117258	907223527	/nfs/dbraw/zinc/22/35/27/907223527.db2.gz	ZFRIWXCGHDYJNU-RBUKOAKNSA-N	1	0	366.465	1.633	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccn(CC(F)F)n2)C[C@H]1c1ccccc1	ZINC001081129760	907227358	/nfs/dbraw/zinc/22/73/58/907227358.db2.gz	CRMVARSPHFDOQR-DOTOQJQBSA-N	1	0	358.392	1.979	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1c1ccccc1	ZINC001081140151	907245964	/nfs/dbraw/zinc/24/59/64/907245964.db2.gz	KWNMQYIRHKYYGC-ZWKOTPCHSA-N	1	0	356.470	1.562	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3nc(C)nn3C2)C[C@H]1c1ccccc1	ZINC001081151241	907264008	/nfs/dbraw/zinc/26/40/08/907264008.db2.gz	CPULUEIKSRPNOV-CEXWTWQISA-N	1	0	365.481	1.919	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](OC)c2cnn(C)c2)C[C@H]1c1ccccc1	ZINC001081151988	907265845	/nfs/dbraw/zinc/26/58/45/907265845.db2.gz	XRHIWCKOBVYXCB-OTWHNJEPSA-N	1	0	352.438	1.325	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1c1ccccc1	ZINC001081162220	907280201	/nfs/dbraw/zinc/28/02/01/907280201.db2.gz	BKFUFUFMVKOMBT-IXDOHACOSA-N	1	0	361.873	1.801	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN(C)C2=O)C[C@H]1c1ccccc1	ZINC001081213626	907319622	/nfs/dbraw/zinc/31/96/22/907319622.db2.gz	HTGDPQXGCKXVOZ-GBESFXJTSA-N	1	0	353.466	1.462	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1c1ccccc1	ZINC001081178182	907347054	/nfs/dbraw/zinc/34/70/54/907347054.db2.gz	JWCYQSQCWKMXAX-FRQCXROJSA-N	1	0	361.873	1.849	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3nnnn3CC2)C[C@H]1c1ccccc1	ZINC001081184943	907357072	/nfs/dbraw/zinc/35/70/72/907357072.db2.gz	CZEUZXOMZYWDGF-FGTMMUONSA-N	1	0	366.469	1.396	20	30		FDEDRO
O=S(=O)(c1ccc(N=NC2CC[N@@H+]3CCC[C@@H]23)nc1)N1CCCCC1	ZINC000765569628	907625279	/nfs/dbraw/zinc/62/52/79/907625279.db2.gz	LPXSMVKLWDYFLU-INIZCTEOSA-N	1	0	363.487	1.892	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2cncnc2C)C[C@H]1C	ZINC001082435557	907715076	/nfs/dbraw/zinc/71/50/76/907715076.db2.gz	KXXWQXAQHZUXAE-FZKQIMNGSA-N	1	0	365.437	1.916	20	30		FDEDRO
C[C@@H](C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O)[NH+]1CCCCCC1	ZINC001077774426	907810297	/nfs/dbraw/zinc/81/02/97/907810297.db2.gz	ZZJNEPRDTUPASV-PWIZWCRZSA-N	1	0	370.497	1.484	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC#Cc2ccc(F)cc2)CC[N@@H+]1C	ZINC001032410754	907890094	/nfs/dbraw/zinc/89/00/94/907890094.db2.gz	SOZGBEKVJLDYBF-XFWGSAIBSA-N	1	0	355.457	1.803	20	30		FDEDRO
COc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)on1	ZINC001082484457	907911252	/nfs/dbraw/zinc/91/12/52/907911252.db2.gz	IWVSYITVKPLSNM-IAQYHMDHSA-N	1	0	358.373	1.944	20	30		FDEDRO
Cc1cc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)[nH]n1	ZINC001082470785	907914741	/nfs/dbraw/zinc/91/47/41/907914741.db2.gz	BVXWXVLSRHUVKD-KZULUSFZSA-N	1	0	355.417	1.908	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082472727	907923503	/nfs/dbraw/zinc/92/35/03/907923503.db2.gz	ZMRFIGAAKSINJJ-PBFPGSCMSA-N	1	0	358.417	1.160	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2COC(=O)C2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082474319	907929085	/nfs/dbraw/zinc/92/90/85/907929085.db2.gz	HSIAVCWPWMFKGI-SUYBPPKGSA-N	1	0	359.401	1.587	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1)n1cncn1	ZINC001082481649	907955472	/nfs/dbraw/zinc/95/54/72/907955472.db2.gz	INEVYWCEOMQIND-PBFPGSCMSA-N	1	0	356.405	1.487	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C)C(=O)N1CCC(C)CC1	ZINC001082482126	907957885	/nfs/dbraw/zinc/95/78/85/907957885.db2.gz	STDVQPGKYREVRU-IIDMSEBBSA-N	1	0	371.485	1.583	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cncnc3)C[C@H]2C)cc1C#N	ZINC001082484749	907971577	/nfs/dbraw/zinc/97/15/77/907971577.db2.gz	IBQGCXCVQCTSLY-CXAGYDPISA-N	1	0	351.410	1.607	20	30		FDEDRO
Cc1cn(C)nc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1	ZINC001082505936	908128309	/nfs/dbraw/zinc/12/83/09/908128309.db2.gz	UJQUIQMGOGIRHH-SJKOYZFVSA-N	1	0	355.417	1.990	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082506540	908136059	/nfs/dbraw/zinc/13/60/59/908136059.db2.gz	NSXQMSCKDARJML-FZKQIMNGSA-N	1	0	355.417	1.610	20	30		FDEDRO
CCn1ccc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)n1	ZINC001082523275	908237274	/nfs/dbraw/zinc/23/72/74/908237274.db2.gz	HCJYOSIJMLVNLW-DNVCBOLYSA-N	1	0	351.454	1.954	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cccs2)CC1	ZINC000997356215	908311344	/nfs/dbraw/zinc/31/13/44/908311344.db2.gz	AZIKQTBBJAELRG-IKGGRYGDSA-N	1	0	371.506	1.955	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C(F)=C(C)C)CC1	ZINC000997356235	908311834	/nfs/dbraw/zinc/31/18/34/908311834.db2.gz	BLPWEFDNHOAKQP-IKGGRYGDSA-N	1	0	361.461	1.843	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082541723	908407545	/nfs/dbraw/zinc/40/75/45/908407545.db2.gz	JRIGJEBCJYDGDA-ISTRZQFTSA-N	1	0	358.417	1.112	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C#N)C1)N1C(=O)CCC1=O	ZINC001082543720	908426106	/nfs/dbraw/zinc/42/61/06/908426106.db2.gz	LTBQYESNTDJPPS-CKEIUWERSA-N	1	0	368.437	1.032	20	30		FDEDRO
COc1ccc(CNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1C#N	ZINC000921571150	908439852	/nfs/dbraw/zinc/43/98/52/908439852.db2.gz	DVSRBQVEQFAUIN-CVEARBPZSA-N	1	0	360.483	1.946	20	30		FDEDRO
COc1ccc(CNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)cc1C#N	ZINC000921571158	908440895	/nfs/dbraw/zinc/44/08/95/908440895.db2.gz	DVSRBQVEQFAUIN-HZPDHXFCSA-N	1	0	360.483	1.946	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cnc(C4CC4)o3)C[C@H]2C)C1=O	ZINC001082567718	908702544	/nfs/dbraw/zinc/70/25/44/908702544.db2.gz	XNDKCSDICURGIH-BPLDGKMQSA-N	1	0	358.442	1.389	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082575829	908739977	/nfs/dbraw/zinc/73/99/77/908739977.db2.gz	CGEMDUWLKSBFIA-ISTRZQFTSA-N	1	0	358.417	1.160	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082576116	908742040	/nfs/dbraw/zinc/74/20/40/908742040.db2.gz	PZNSWZUYOLBCEI-SRCQZFHVSA-N	1	0	358.417	1.160	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1	ZINC001082579013	908767602	/nfs/dbraw/zinc/76/76/02/908767602.db2.gz	DUFVRGYVPYATGY-MEBBXXQBSA-N	1	0	357.389	1.685	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)COc2cc(C)on2)C[C@H]1C	ZINC001082573367	908809156	/nfs/dbraw/zinc/80/91/56/908809156.db2.gz	NAHQSPAOZSTFCK-BXKDBHETSA-N	1	0	358.236	1.707	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082590376	908847793	/nfs/dbraw/zinc/84/77/93/908847793.db2.gz	SWQFMCVPMGTCAN-OHDICMOHSA-N	1	0	356.470	1.214	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082599605	908958309	/nfs/dbraw/zinc/95/83/09/908958309.db2.gz	BLVDQQGGQWACHP-IIDMSEBBSA-N	1	0	354.454	1.363	20	30		FDEDRO
CCN1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001082608414	908985357	/nfs/dbraw/zinc/98/53/57/908985357.db2.gz	VWFQZCIKOGPTTD-LZQZEXGQSA-N	1	0	356.470	1.215	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](CC)[NH+](C)C	ZINC000997542653	909089508	/nfs/dbraw/zinc/08/95/08/909089508.db2.gz	DECWZFNGJPDGAP-QZWWFDLISA-N	1	0	358.486	1.876	20	30		FDEDRO
CCO[C@@H](CNS(=O)(=O)Cc1c(C)cc(C#N)cc1C)C[NH+](C)C	ZINC000921636872	909091046	/nfs/dbraw/zinc/09/10/46/909091046.db2.gz	QSJGUILDCRDIOD-INIZCTEOSA-N	1	0	353.488	1.561	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082632577	909188634	/nfs/dbraw/zinc/18/86/34/909188634.db2.gz	CISKTZKCFKXWBL-IAQYHMDHSA-N	1	0	370.384	1.640	20	30		FDEDRO
COc1cnc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)nc1	ZINC001082633354	909196867	/nfs/dbraw/zinc/19/68/67/909196867.db2.gz	HXILDYBDHPQVKV-SJKOYZFVSA-N	1	0	369.400	1.746	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccnc3n[nH]nc32)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082634951	909221481	/nfs/dbraw/zinc/22/14/81/909221481.db2.gz	QLOCSIIIQHBHGS-MLGOLLRUSA-N	1	0	361.409	1.475	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)C2(c3ccc(F)cc3)CC2)[C@H](OC)C1	ZINC001212370841	909294839	/nfs/dbraw/zinc/29/48/39/909294839.db2.gz	UWQJUBJNAZADTQ-QZTJIDSGSA-N	1	0	362.445	1.875	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)CN2CCCCCCC2=O)[C@H](OC)C1	ZINC001212371034	909295321	/nfs/dbraw/zinc/29/53/21/909295321.db2.gz	YTDGMDNVBNLBJH-IAGOWNOFSA-N	1	0	351.491	1.561	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnc3nccn3c2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082644925	909298325	/nfs/dbraw/zinc/29/83/25/909298325.db2.gz	QCJLZCGWSZVKDT-RDTXWAMCSA-N	1	0	360.421	1.851	20	30		FDEDRO
COc1c[nH]c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)cc1=O	ZINC001082644886	909299146	/nfs/dbraw/zinc/29/91/46/909299146.db2.gz	NHJNUJKFSBTKLI-CXAGYDPISA-N	1	0	366.421	1.505	20	30		FDEDRO
Cc1cncn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC001082646290	909312545	/nfs/dbraw/zinc/31/25/45/909312545.db2.gz	KBAIJMUHOSRGOW-FZKQIMNGSA-N	1	0	355.417	1.839	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2ccc3n[nH]nc3n2)[C@H](OC)C1	ZINC001212373609	909324954	/nfs/dbraw/zinc/32/49/54/909324954.db2.gz	WTKBSOPQEBPFGZ-HZPDHXFCSA-N	1	0	360.462	1.752	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2ccc3n[nH]nc3n2)[C@H](OC)C1	ZINC001212373435	909325175	/nfs/dbraw/zinc/32/51/75/909325175.db2.gz	NOLIXRUORMAIRP-HZPDHXFCSA-N	1	0	358.446	1.528	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)Cc3cncc(C)c3)C[C@H]2C)C1=O	ZINC001082666140	909459083	/nfs/dbraw/zinc/45/90/83/909459083.db2.gz	AEUDEFAZEJQNCZ-KBAYOESNSA-N	1	0	356.470	1.156	20	30		FDEDRO
COc1nc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(C#N)ccc3OC)C2)co1	ZINC001082667200	909468221	/nfs/dbraw/zinc/46/82/21/909468221.db2.gz	HAQUOYGPMVKPLN-IUODEOHRSA-N	1	0	370.409	1.814	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccccc2CC)C[C@@H]1O	ZINC001083790173	909522056	/nfs/dbraw/zinc/52/20/56/909522056.db2.gz	SCQCFZNNFGLVFU-ZRNYENFQSA-N	1	0	358.482	1.544	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2=O)C1	ZINC001082686116	909573337	/nfs/dbraw/zinc/57/33/37/909573337.db2.gz	ZGYMTMWWOTWLIR-FRRDWIJNSA-N	1	0	361.408	1.798	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)CCc3ccccn3)C[C@H]2C)C1=O	ZINC001082680593	909588227	/nfs/dbraw/zinc/58/82/27/909588227.db2.gz	PGMWCPNDZLXZTI-BPQIPLTHSA-N	1	0	356.470	1.238	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082697636	909655498	/nfs/dbraw/zinc/65/54/98/909655498.db2.gz	ONYGYEWDZWYMAS-WIBUTAKZSA-N	1	0	354.454	1.411	20	30		FDEDRO
C[C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082708492	909744993	/nfs/dbraw/zinc/74/49/93/909744993.db2.gz	VJHDBXJRLXISKP-MLGOLLRUSA-N	1	0	359.455	1.369	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccc4n[nH]cc4c3)C[C@H]2C)C1=O	ZINC001082710774	909767818	/nfs/dbraw/zinc/76/78/18/909767818.db2.gz	MZSDDPOJJOUTIX-FSPWUOQZSA-N	1	0	367.453	1.400	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CCC(C[NH2+]Cc3ccc(C#N)cc3)CC2)O1	ZINC000997857175	909833889	/nfs/dbraw/zinc/83/38/89/909833889.db2.gz	XSVBQVZGWIMNGC-OXQOHEQNSA-N	1	0	370.497	1.606	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(OC)ns3)C2)c1	ZINC001082730456	909866935	/nfs/dbraw/zinc/86/69/35/909866935.db2.gz	VZUFPARRXZFPLC-MLGOLLRUSA-N	1	0	356.451	1.778	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2	ZINC000997888942	909878287	/nfs/dbraw/zinc/87/82/87/909878287.db2.gz	XZIXBLGIDFBKRS-ZBRFXRBCSA-N	1	0	361.486	1.167	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc(=O)n2C)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082731667	909878731	/nfs/dbraw/zinc/87/87/31/909878731.db2.gz	MSTPBMWJHWNKCU-RHSMWYFYSA-N	1	0	350.422	1.507	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1C	ZINC001082737615	909913422	/nfs/dbraw/zinc/91/34/22/909913422.db2.gz	GNMZTWVHPFZYHB-OWDMVUQNSA-N	1	0	370.453	1.030	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2nccn3ccnc23)C[C@H]1C	ZINC001082750163	909986480	/nfs/dbraw/zinc/98/64/80/909986480.db2.gz	XDYZQDGPMOFBEK-ZYHUDNBSSA-N	1	0	364.247	1.688	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C(=O)NC)cc2)C1	ZINC001082752157	909999653	/nfs/dbraw/zinc/99/96/53/909999653.db2.gz	TYJDAUSHVBXYQE-AXUOBQJMSA-N	1	0	371.481	1.574	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cccc(OCC)c3)C[C@H]2C)C1=O	ZINC001082766209	910059343	/nfs/dbraw/zinc/05/93/43/910059343.db2.gz	GDMQMNMTSIKUBN-ATZDWAIDSA-N	1	0	371.481	1.922	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cn(CC)nc3C)C[C@H]2C)C1=O	ZINC001082772697	910092511	/nfs/dbraw/zinc/09/25/11/910092511.db2.gz	ZOZGIGSYQZXKKH-KBRIMQKVSA-N	1	0	359.474	1.048	20	30		FDEDRO
C#CCC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)C[C@@H]1C[C@H]1C1CC1)CC2	ZINC001128013073	910099590	/nfs/dbraw/zinc/09/95/90/910099590.db2.gz	UYLOJEKUOREUDO-BBWFWOEESA-N	1	0	355.486	1.648	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C)C2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082788196	910170697	/nfs/dbraw/zinc/17/06/97/910170697.db2.gz	CADXBKVEUCIECS-GPMSIDNRSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cnc3cccnn32)C[C@H]1C	ZINC001082790538	910189739	/nfs/dbraw/zinc/18/97/39/910189739.db2.gz	FGZZLAIZFYGFRM-ZYHUDNBSSA-N	1	0	364.247	1.688	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082825736	910335428	/nfs/dbraw/zinc/33/54/28/910335428.db2.gz	YJRNQWNKCHRLSP-PIGZYNQJSA-N	1	0	369.400	1.375	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cccc(C(N)=O)c2)CC1	ZINC000998095730	910336868	/nfs/dbraw/zinc/33/68/68/910336868.db2.gz	VOKVXARRNVAZJQ-MOPGFXCFSA-N	1	0	371.481	1.705	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CCC[N@H+](CC(=O)N(C)C)CC1	ZINC000998131939	910431531	/nfs/dbraw/zinc/43/15/31/910431531.db2.gz	WKXOXSZBJCFJIZ-BBWFWOEESA-N	1	0	351.491	1.369	20	30		FDEDRO
CCn1cc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)cn1	ZINC001082853587	910475295	/nfs/dbraw/zinc/47/52/95/910475295.db2.gz	JBEIMQQQDUSGJT-DNVCBOLYSA-N	1	0	351.454	1.954	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@H](O)c3ccccc3F)C2)cn1	ZINC001082871092	910521044	/nfs/dbraw/zinc/52/10/44/910521044.db2.gz	YTHBFIILLLWEKJ-XMCHAPAWSA-N	1	0	367.424	1.986	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCn3nc(C)cc3C)C2)cn1	ZINC001082870868	910521340	/nfs/dbraw/zinc/52/13/40/910521340.db2.gz	PLXINMUOTNNCFJ-AUUYWEPGSA-N	1	0	351.454	1.627	20	30		FDEDRO
C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CC[C@@H]([NH+]3CCCC3)C2)C1=O	ZINC000727170136	910571121	/nfs/dbraw/zinc/57/11/21/910571121.db2.gz	SAKPENKVATZZEF-YLJYHZDGSA-N	1	0	367.453	1.453	20	30		FDEDRO
C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CC[C@H]([NH+]3CCCC3)C2)C1=O	ZINC000727170134	910571363	/nfs/dbraw/zinc/57/13/63/910571363.db2.gz	SAKPENKVATZZEF-PXNSSMCTSA-N	1	0	367.453	1.453	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn3cc[nH]c23)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082883506	910653953	/nfs/dbraw/zinc/65/39/53/910653953.db2.gz	XWNBTWRMHWKSPF-IAQYHMDHSA-N	1	0	354.439	1.846	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccnn2C)C1	ZINC001082885010	910665023	/nfs/dbraw/zinc/66/50/23/910665023.db2.gz	XYJLHRUNEBLCGV-OXQOHEQNSA-N	1	0	350.466	1.623	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCOC3CCC3)C[C@H]2OC)CCOCC1	ZINC001212395426	910733793	/nfs/dbraw/zinc/73/37/93/910733793.db2.gz	GJLGHQUSCACIQR-QZTJIDSGSA-N	1	0	364.486	1.191	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)Cc3cccc(OC)c3)C[C@H]2C)C1=O	ZINC001082898550	910754063	/nfs/dbraw/zinc/75/40/63/910754063.db2.gz	OFYLOOVJOCZWCL-ATZDWAIDSA-N	1	0	371.481	1.461	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)Cc3c(C)noc3C)C[C@H]2C)C1=O	ZINC001082915638	910892418	/nfs/dbraw/zinc/89/24/18/910892418.db2.gz	JFWMHWKIACAQMT-CSMYWGQOSA-N	1	0	360.458	1.057	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc(C(N)=O)n2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082950846	911071968	/nfs/dbraw/zinc/07/19/68/911071968.db2.gz	IYLNYATVCHKLJF-FZKQIMNGSA-N	1	0	363.421	1.302	20	30		FDEDRO
C=CCN1CC[C@H](N(C)CC[C@H](C)[N@H+](C)[C@H]2CCN(CC=C)C2=O)C1=O	ZINC000281488842	911262659	/nfs/dbraw/zinc/26/26/59/911262659.db2.gz	XCYSLXNEMUWJTF-BZSNNMDCSA-N	1	0	362.518	1.202	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C3)cn1	ZINC000998625946	911331697	/nfs/dbraw/zinc/33/16/97/911331697.db2.gz	QGWUOXDOYLTOIG-OAOYMFHYSA-N	1	0	366.465	1.266	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnn(C)c2C)C1=O	ZINC001085134967	921661725	/nfs/dbraw/zinc/66/17/25/921661725.db2.gz	RSAFCILIYNAMPF-BRWVUGGUSA-N	1	0	359.474	1.146	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cccc(C#N)c3)C2)C1	ZINC000998784287	911658067	/nfs/dbraw/zinc/65/80/67/911658067.db2.gz	DVNLCZKRMPTQSE-HELAGCTPSA-N	1	0	354.454	1.552	20	30		FDEDRO
CC1(C)CO[C@@H](C[N@@H+]2C[C@H]3OCCN(C(=O)c4cc(C#N)c[nH]4)[C@H]3C2)C1	ZINC001083040552	911761623	/nfs/dbraw/zinc/76/16/23/911761623.db2.gz	SHOQAVQUSNWEBN-HYVNUMGLSA-N	1	0	358.442	1.227	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cccc(C)n2)C1=O	ZINC001085135657	921694982	/nfs/dbraw/zinc/69/49/82/921694982.db2.gz	YOHNCTLLBGYPTM-NUJGCVRESA-N	1	0	356.470	1.808	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3cnn4c3CCCC4)[C@H]2C1	ZINC001083110980	911897491	/nfs/dbraw/zinc/89/74/91/911897491.db2.gz	GFMHZJOOWDQJIU-RBUKOAKNSA-N	1	0	358.486	1.640	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4c(c3)nnn4C)[C@H]2C1	ZINC001083121393	911934156	/nfs/dbraw/zinc/93/41/56/911934156.db2.gz	JCPOPXRXWBTPKG-ZWKOTPCHSA-N	1	0	355.442	1.460	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3cnn4ccccc34)[C@H]2C1	ZINC001083108595	912065290	/nfs/dbraw/zinc/06/52/90/912065290.db2.gz	FBBMFLOSDAFURX-RBUKOAKNSA-N	1	0	354.454	1.755	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(OC)nc(OC)c3)[C@H]2C1	ZINC001083131373	912130934	/nfs/dbraw/zinc/13/09/34/912130934.db2.gz	QBSPGYCKVKDFRA-JKSUJKDBSA-N	1	0	361.442	1.590	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3nnc4ccccc4n3)[C@H]2C1	ZINC001083145161	912206311	/nfs/dbraw/zinc/20/63/11/912206311.db2.gz	UDQUFELWOLQRSD-DLBZAZTESA-N	1	0	353.426	1.516	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCCN3CC3CCC3)[C@@H]2C1	ZINC001084548044	915313591	/nfs/dbraw/zinc/31/35/91/915313591.db2.gz	YXLIKYJKOGOWNX-VAMGGRTRSA-N	1	0	361.530	1.986	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C)n(C)n2)C1=O	ZINC001085145631	921767585	/nfs/dbraw/zinc/76/75/85/921767585.db2.gz	BCIHQNMEIFWQIM-OAGGEKHMSA-N	1	0	359.474	1.146	20	30		FDEDRO
C[C@@]1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)CCC(=O)NC1	ZINC001084596892	915579127	/nfs/dbraw/zinc/57/91/27/915579127.db2.gz	WMRYTEHJRUDNJI-DBXWQHBBSA-N	1	0	366.465	1.507	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)/C(=C\c2ccc(F)cc2)n2nnnc2C)CC1	ZINC000729977140	915900469	/nfs/dbraw/zinc/90/04/69/915900469.db2.gz	JWFJSDHQFLYJFW-QGOAFFKASA-N	1	0	370.432	1.885	20	30		FDEDRO
N#CCSc1ccccc1C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000730218735	916325181	/nfs/dbraw/zinc/32/51/81/916325181.db2.gz	PBCHWUHSHMARKW-INIZCTEOSA-N	1	0	372.494	1.857	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCCOC3)C[C@H]21	ZINC001084783420	917120978	/nfs/dbraw/zinc/12/09/78/917120978.db2.gz	POTXUPGGQGPYER-YQVWRLOYSA-N	1	0	369.465	1.667	20	30		FDEDRO
N#Cc1cc(CN2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)ccc1F	ZINC001084832803	917535089	/nfs/dbraw/zinc/53/50/89/917535089.db2.gz	YRZCOPXURUKNMQ-VQIMIIECSA-N	1	0	356.445	1.826	20	30		FDEDRO
C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1	ZINC000731027106	917636330	/nfs/dbraw/zinc/63/63/30/917636330.db2.gz	POXWYXKCBCATKT-GJZGRUSLSA-N	1	0	358.446	1.856	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN([C@@H](C)c4ncc(C)o4)C[C@H]32)CC1	ZINC001084851105	917658340	/nfs/dbraw/zinc/65/83/40/917658340.db2.gz	MYTGPSNNOTZUKE-QXAKKESOSA-N	1	0	370.497	1.922	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)c1	ZINC000731126193	917773840	/nfs/dbraw/zinc/77/38/40/917773840.db2.gz	CZCBWPZPABUXHV-UHFFFAOYSA-N	1	0	355.438	1.628	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ccc(C)nc4)C[C@@H]32)C1=O	ZINC001084891069	918034940	/nfs/dbraw/zinc/03/49/40/918034940.db2.gz	AJYNPYSCJBYZRQ-WDSOQIARSA-N	1	0	368.481	1.713	20	30		FDEDRO
Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)n1	ZINC001084915175	918280737	/nfs/dbraw/zinc/28/07/37/918280737.db2.gz	IIFLFLPTCDLLCZ-AEFFLSMTSA-N	1	0	367.457	1.331	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CCNC(=O)C4)C[C@@H]32)c1	ZINC001084919696	918318694	/nfs/dbraw/zinc/31/86/94/918318694.db2.gz	IBFLMFPNBKDHCF-QRVBRYPASA-N	1	0	366.465	1.507	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4nccn4CC)C[C@@H]32)C1=O	ZINC001084930218	918452308	/nfs/dbraw/zinc/45/23/08/918452308.db2.gz	XFTBQMZBTOIJDQ-ULQDDVLXSA-N	1	0	371.485	1.226	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cnn4c3cccc4OC)C[C@@H]21	ZINC001084952246	918721817	/nfs/dbraw/zinc/72/18/17/918721817.db2.gz	GXYSBIRYJQCQQD-QAPCUYQASA-N	1	0	352.438	1.903	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCCS3(=O)=O)C[C@@H]21	ZINC001084956050	918792086	/nfs/dbraw/zinc/79/20/86/918792086.db2.gz	OXARWZZTCXSEBV-IKGGRYGDSA-N	1	0	354.516	1.843	20	30		FDEDRO
O=C(c1cn[nH]c(=O)c1)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001084965692	918933736	/nfs/dbraw/zinc/93/37/36/918933736.db2.gz	LEESLARXTCJLIP-MJGOQNOKSA-N	1	0	362.433	1.770	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)c3cn[nH]c(=O)c3)C[C@@H]21	ZINC001084965768	918934809	/nfs/dbraw/zinc/93/48/09/918934809.db2.gz	QPVRCYZQJAYVMM-KDOFPFPSSA-N	1	0	363.421	1.790	20	30		FDEDRO
C=CCOc1ccc(/C=C/C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1OC	ZINC000732150078	919151211	/nfs/dbraw/zinc/15/12/11/919151211.db2.gz	WBNCKHXTLJAZHT-UGAXZCSASA-N	1	0	359.470	1.635	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3OCC(N)=O)C[C@@H]21	ZINC001084984646	919174107	/nfs/dbraw/zinc/17/41/07/919174107.db2.gz	KZUMBWDZUUORPI-WBVHZDCISA-N	1	0	357.454	1.663	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCO[C@H](C)C3)[C@H]2C1	ZINC001085004876	919549926	/nfs/dbraw/zinc/54/99/26/919549926.db2.gz	QOSMRTYJRLVGTR-ZACQAIPSSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3CC[N@H+](CC[C@@H]4CCOC4)[C@H]3C2)nn1	ZINC001085051927	920100698	/nfs/dbraw/zinc/10/06/98/920100698.db2.gz	SDUBMOZXWVCMIT-NUJGCVRESA-N	1	0	359.474	1.427	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3csc(-c4nc[nH]n4)n3)C[C@@H]21	ZINC001085055791	920185010	/nfs/dbraw/zinc/18/50/10/920185010.db2.gz	ZIABUGOZQAZIBQ-OCCSQVGLSA-N	1	0	356.455	1.488	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)C[C@@H]4CCC(=O)N4)C[C@@H]32)cc1	ZINC001085055717	920185874	/nfs/dbraw/zinc/18/58/74/920185874.db2.gz	VNYSWVRNSUOQRP-QYZOEREBSA-N	1	0	366.465	1.650	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)c4nc[nH]n4)C[C@@H]32)cc1	ZINC001085059270	920271227	/nfs/dbraw/zinc/27/12/27/920271227.db2.gz	HTMHVYASWPTDFC-WBVHZDCISA-N	1	0	366.425	1.444	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4oncc4C)C[C@@H]32)C1=O	ZINC001085067759	920382176	/nfs/dbraw/zinc/38/21/76/920382176.db2.gz	PPUARRXSHLKGNY-XHSDSOJGSA-N	1	0	358.442	1.306	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC2CCN(C(=O)OC(C)C)CC2)CC1	ZINC000733040583	920529087	/nfs/dbraw/zinc/52/90/87/920529087.db2.gz	GNGNXMVRMDQFIQ-UHFFFAOYSA-N	1	0	352.479	1.945	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C[NH+](C)C)C(C)C)ccc1F	ZINC000733165032	920713676	/nfs/dbraw/zinc/71/36/76/920713676.db2.gz	GFIMEFAIOSMRJH-OAHLLOKOSA-N	1	0	371.478	1.606	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3ccc(C(F)(F)F)n3)C[C@@H]21	ZINC001085088549	920763998	/nfs/dbraw/zinc/76/39/98/920763998.db2.gz	KUOLZXMIBDSDKP-KGLIPLIRSA-N	1	0	354.376	1.848	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)COc3ccc(C(N)=O)cc3)C[C@@H]21	ZINC001085096071	920883567	/nfs/dbraw/zinc/88/35/67/920883567.db2.gz	BDDGVOFWJUXJRT-QAPCUYQASA-N	1	0	355.438	1.110	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)COc3ccc(C(N)=O)cc3)C[C@@H]21	ZINC001085096225	920886708	/nfs/dbraw/zinc/88/67/08/920886708.db2.gz	OLPOBSGFCIFHJD-QAPCUYQASA-N	1	0	357.454	1.663	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000733333747	920988267	/nfs/dbraw/zinc/98/82/67/920988267.db2.gz	UMQOASJMRQIREL-PVEMMZBWSA-N	1	0	364.446	1.502	20	30		FDEDRO
O=C(NCC[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1)C1N=CC=CC1=O	ZINC000733332779	920988587	/nfs/dbraw/zinc/98/85/87/920988587.db2.gz	AMOUOTFAXJYLGP-NHKNDPDJSA-N	1	0	371.437	1.860	20	30		FDEDRO
O=C(NC1CC1)c1ccc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1	ZINC000733334880	920989345	/nfs/dbraw/zinc/98/93/45/920989345.db2.gz	SPRVHCKWTQHGLM-ZPHPHTNESA-N	1	0	354.410	1.195	20	30		FDEDRO
COc1cc2c(cc1C[NH2+]CCNC(=O)C1N=CC=CC1=O)O[C@@H](C)C2	ZINC000733334889	920989511	/nfs/dbraw/zinc/98/95/11/920989511.db2.gz	TVLLMWOGVRGJIU-OUIWWDRTSA-N	1	0	357.410	1.635	20	30		FDEDRO
N#CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCC(=O)N2)cc1	ZINC001085150818	921811060	/nfs/dbraw/zinc/81/10/60/921811060.db2.gz	ZRRFOAVJEQRNLX-KZNAEPCWSA-N	1	0	370.453	1.385	20	30		FDEDRO
CC(C)c1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)[nH]1	ZINC001085173675	921968729	/nfs/dbraw/zinc/96/87/29/921968729.db2.gz	GGUNWRPFDGEACA-ZIAGYGMSSA-N	1	0	355.446	1.959	20	30		FDEDRO
COc1cncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)n1	ZINC001085171985	921982585	/nfs/dbraw/zinc/98/25/85/921982585.db2.gz	JTYGRFWHPZNPOQ-HUUCEWRRSA-N	1	0	354.414	1.516	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCCCC2)c[nH]1	ZINC001085174479	921993003	/nfs/dbraw/zinc/99/30/03/921993003.db2.gz	CWIMDAOEBVTSPL-QZTJIDSGSA-N	1	0	371.485	1.920	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1	ZINC000282586889	922182886	/nfs/dbraw/zinc/18/28/86/922182886.db2.gz	VILFXSOLXMTLHJ-SFHVURJKSA-N	1	0	352.438	1.941	20	30		FDEDRO
Cc1nnc(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)[nH]1	ZINC001085195387	922358555	/nfs/dbraw/zinc/35/85/55/922358555.db2.gz	VUOZWZMVXDCZIJ-IAGOWNOFSA-N	1	0	352.442	1.745	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3c2ccc(C#N)nn2)CC[N@@H+]1C	ZINC001065934671	922508446	/nfs/dbraw/zinc/50/84/46/922508446.db2.gz	RVNRVMHCRINSFO-AGTSVGGPSA-N	1	0	368.485	1.552	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(C(=O)CSCC#N)CC2)CC[N@@H+]1C	ZINC001066218405	922615565	/nfs/dbraw/zinc/61/55/65/922615565.db2.gz	FULLSVDPJRLEQU-OWCLPIDISA-N	1	0	366.531	1.471	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2cncc(C#N)n2)CC[N@@H+]1C	ZINC001066203420	922625378	/nfs/dbraw/zinc/62/53/78/922625378.db2.gz	RQOMIMANPBETNF-MLHJIOFPSA-N	1	0	368.485	1.648	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)n(C)n1	ZINC001085229734	922981866	/nfs/dbraw/zinc/98/18/66/922981866.db2.gz	HVFWSAMMFXRJEU-QRVBRYPASA-N	1	0	357.502	1.343	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCC(=O)NC2)cc1	ZINC001085253930	923219373	/nfs/dbraw/zinc/21/93/73/923219373.db2.gz	LPIOJIYCCORPCK-RCCFBDPRSA-N	1	0	354.454	1.601	20	30		FDEDRO
N#CCSc1ccccc1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000734467344	923329230	/nfs/dbraw/zinc/32/92/30/923329230.db2.gz	JSMWWKJFQOYICU-MRXNPFEDSA-N	1	0	374.510	1.439	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCNC(=O)CC2)c1	ZINC001085286137	923527402	/nfs/dbraw/zinc/52/74/02/923527402.db2.gz	UQOGWLQJAHNJTB-GUDVDZBRSA-N	1	0	368.481	1.992	20	30		FDEDRO
C[C@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)CCC(=O)NC1	ZINC001085305202	923704175	/nfs/dbraw/zinc/70/41/75/923704175.db2.gz	LBCSHSQITCMSSG-OPYAIIAOSA-N	1	0	368.481	1.992	20	30		FDEDRO
CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001085307450	923718363	/nfs/dbraw/zinc/71/83/63/923718363.db2.gz	XPALLPURYIYCAE-BZUAXINKSA-N	1	0	360.483	1.758	20	30		FDEDRO
Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)[nH]c1=O	ZINC001085320715	923849571	/nfs/dbraw/zinc/84/95/71/923849571.db2.gz	MMHRIJNVNXKDRJ-HZPDHXFCSA-N	1	0	353.426	1.828	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCc3ncnn32)c1	ZINC001085326646	923889387	/nfs/dbraw/zinc/88/93/87/923889387.db2.gz	ZWUVQQFIMVFSHR-RCCFBDPRSA-N	1	0	364.453	1.473	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2cccnc2C)C1=O	ZINC001085331087	923935833	/nfs/dbraw/zinc/93/58/33/923935833.db2.gz	SBHAAJKDOFUSMI-GUDVDZBRSA-N	1	0	370.497	1.736	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2cscn2)C1=O	ZINC001085354309	924135616	/nfs/dbraw/zinc/13/56/16/924135616.db2.gz	ZLUWIGFCJMYETJ-BZUAXINKSA-N	1	0	362.499	1.490	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C(N)=O)c[nH]1	ZINC001085376689	924317045	/nfs/dbraw/zinc/31/70/45/924317045.db2.gz	PFXXJCMQXJQUEE-VXGBXAGGSA-N	1	0	369.263	1.653	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(C)[nH]1	ZINC001085398409	924448042	/nfs/dbraw/zinc/44/80/42/924448042.db2.gz	GLUDFAGQRJKHBF-HZPDHXFCSA-N	1	0	368.441	1.351	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCN(C(C)C)C2=O)nc1	ZINC001085398660	924448279	/nfs/dbraw/zinc/44/82/79/924448279.db2.gz	RLSCNXCONDJQKF-ZHALLVOQSA-N	1	0	368.481	1.703	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(=O)[nH]c2)C1=O	ZINC001085412761	924526997	/nfs/dbraw/zinc/52/69/97/924526997.db2.gz	MPKIBPYYIMESMP-BZUAXINKSA-N	1	0	358.442	1.205	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(C(N)=O)c2)cc1	ZINC001085424807	924619372	/nfs/dbraw/zinc/61/93/72/924619372.db2.gz	JHNNMTUZRNOJQN-IAGOWNOFSA-N	1	0	365.437	1.816	20	30		FDEDRO
C=CCNc1nc(C(=O)OCC(=O)NC2CC[NH+](C(C)C)CC2)cs1	ZINC000735967132	924709890	/nfs/dbraw/zinc/70/98/90/924709890.db2.gz	ACTSNBKNVPCWBQ-UHFFFAOYSA-N	1	0	366.487	1.887	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN1C(N)=O	ZINC001085440160	924742731	/nfs/dbraw/zinc/74/27/31/924742731.db2.gz	HCTBTPAVLVRMBY-KURKYZTESA-N	1	0	369.469	1.618	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCCN2S(=O)(=O)CCC)CC1	ZINC000740735813	925419907	/nfs/dbraw/zinc/41/99/07/925419907.db2.gz	QFVHCFDLTYMLEU-QGZVFWFLSA-N	1	0	369.531	1.185	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccc3c(c2)[nH]c(=O)n(CC)c3=O)CC1	ZINC000740735840	925419990	/nfs/dbraw/zinc/41/99/90/925419990.db2.gz	RCELITRJKHQZQT-UHFFFAOYSA-N	1	0	368.437	1.340	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H](C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001006272474	925442209	/nfs/dbraw/zinc/44/22/09/925442209.db2.gz	CEHVCHXJFQWFMP-BFYDXBDKSA-N	1	0	358.486	1.591	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CCNc3ccnc(C#N)n3)C2)CC[N@@H+]1C	ZINC001066393940	925985071	/nfs/dbraw/zinc/98/50/71/925985071.db2.gz	OTFASVDAFZYGHI-HRCADAONSA-N	1	0	356.474	1.151	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccnc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129326459	926002123	/nfs/dbraw/zinc/00/21/23/926002123.db2.gz	IDGISCIZOAQZOI-NXHRZFHOSA-N	1	0	354.458	1.992	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC001086111238	926022740	/nfs/dbraw/zinc/02/27/40/926022740.db2.gz	ZUNIBARKTLEVGG-ZKNMIIFVSA-N	1	0	361.417	1.486	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1	ZINC001086156916	926167888	/nfs/dbraw/zinc/16/78/88/926167888.db2.gz	WIDWHIREPYAOQG-TWMKSMIVSA-N	1	0	371.909	1.103	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)s1	ZINC001086200350	926270532	/nfs/dbraw/zinc/27/05/32/926270532.db2.gz	VKFRGTKLGGOCES-MQYQWHSLSA-N	1	0	360.483	1.506	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(OC)ns2)C1	ZINC001086202343	926288443	/nfs/dbraw/zinc/28/84/43/926288443.db2.gz	USLZHAUIMMUICP-OSRDXIQISA-N	1	0	351.472	1.727	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2snnc2C)C1	ZINC001086223309	926352929	/nfs/dbraw/zinc/35/29/29/926352929.db2.gz	KIKRZHUKVLFXFF-FQLMCAECSA-N	1	0	350.488	1.812	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)CC1	ZINC000743489015	926377492	/nfs/dbraw/zinc/37/74/92/926377492.db2.gz	BYPCEBKOLNDUDD-UHFFFAOYSA-N	1	0	361.398	1.586	20	30		FDEDRO
COC[C@@H](C)NC(=S)NN=C(C)c1cccc(OCC[NH+](C)C)c1	ZINC000743525396	926383660	/nfs/dbraw/zinc/38/36/60/926383660.db2.gz	DDWLAKDBXMFNCF-CYBMUJFWSA-N	1	0	352.504	1.850	20	30		FDEDRO
COC(=O)CC[N@H+](CCOc1ccc(C#N)cc1OC)C1CCOCC1	ZINC000743871815	926483274	/nfs/dbraw/zinc/48/32/74/926483274.db2.gz	UTXVQFPIUIYYOQ-UHFFFAOYSA-N	1	0	362.426	1.990	20	30		FDEDRO
CC[NH+](CC)CCN1c2ccccc2C(=NNC(=S)NC2CC2)C1=O	ZINC000744685219	926807970	/nfs/dbraw/zinc/80/79/70/926807970.db2.gz	IPDAVBGHJRHKLW-UHFFFAOYSA-N	1	0	359.499	1.706	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cn(C(C)C)nn2)C1	ZINC001086369159	926862926	/nfs/dbraw/zinc/86/29/26/926862926.db2.gz	TWPQMTCLDUUKNV-AHCXZYCDSA-N	1	0	361.490	1.825	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2snnc2C)C1	ZINC001086369543	926865262	/nfs/dbraw/zinc/86/52/62/926865262.db2.gz	NBKXMOJLZXMBTA-TUVASFSCSA-N	1	0	350.488	1.812	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1	ZINC001086476412	927489144	/nfs/dbraw/zinc/48/91/44/927489144.db2.gz	LOLNTXYWMPLWTA-YHUYYLMFSA-N	1	0	369.893	1.393	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc3n(n2)CCCC3)C1	ZINC001086483215	927539004	/nfs/dbraw/zinc/53/90/04/927539004.db2.gz	QRFSDVKBHNPWPH-RGCFKVTRSA-N	1	0	358.486	1.795	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1	ZINC001086503708	927709542	/nfs/dbraw/zinc/70/95/42/927709542.db2.gz	JNGWYWFTKIFNFM-DNCCFGNJSA-N	1	0	359.474	1.231	20	30		FDEDRO
CCc1ccc([C@H](CNC(=O)C(=O)Nc2cnn(CC#N)c2)[NH+](C)C)cc1	ZINC000746344659	927886864	/nfs/dbraw/zinc/88/68/64/927886864.db2.gz	PVKMTAHHIUSTMQ-KRWDZBQOSA-N	1	0	368.441	1.327	20	30		FDEDRO
C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cnn(CC#N)c2)C1	ZINC000746377813	927926028	/nfs/dbraw/zinc/92/60/28/927926028.db2.gz	PDBFJXUUQALOLQ-HOCLYGCPSA-N	1	0	366.425	1.297	20	30		FDEDRO
CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)c1ccco1	ZINC000746381463	927931522	/nfs/dbraw/zinc/93/15/22/927931522.db2.gz	IYEYHTFZVDTQAZ-CQSZACIVSA-N	1	0	358.402	1.137	20	30		FDEDRO
C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1	ZINC000746420643	927966452	/nfs/dbraw/zinc/96/64/52/927966452.db2.gz	ASMQQEQTMVUCPZ-KRWDZBQOSA-N	1	0	366.425	1.078	20	30		FDEDRO
C[C@H](CCNC(=O)C(=O)Nc1cnn(CC#N)c1)[N@H+](C)Cc1ccccc1	ZINC000746422644	927969716	/nfs/dbraw/zinc/96/97/16/927969716.db2.gz	QFCUWSIFUYSWHT-OAHLLOKOSA-N	1	0	368.441	1.372	20	30		FDEDRO
COc1ccc(CN2CC[C@@H]([NH+]3CCN(CCC#N)CC3)CC2=O)cc1	ZINC001168939041	928190086	/nfs/dbraw/zinc/19/00/86/928190086.db2.gz	FDHYXONARQIDQP-GOSISDBHSA-N	1	0	356.470	1.717	20	30		FDEDRO
Cc1nc(CC[NH3+])nn1-c1ncc2c(c1C#N)N(Cc1ccccc1)CC2	ZINC001168985556	928206667	/nfs/dbraw/zinc/20/66/67/928206667.db2.gz	NAKJMVZJKPXRNV-UHFFFAOYSA-N	1	0	359.437	1.906	20	30		FDEDRO
C=CCN1CC[C@]2(CCC[N@@H+]([C@@H]3CC[C@H](C(=O)OCC)OC3)C2)C1=O	ZINC001169389878	928533305	/nfs/dbraw/zinc/53/33/05/928533305.db2.gz	TXVINJZTJIVTHT-MDZRGWNJSA-N	1	0	350.459	1.598	20	30		FDEDRO
C#CCCN1CCC[C@@H]([NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)C1=O	ZINC001169743181	928879982	/nfs/dbraw/zinc/87/99/82/928879982.db2.gz	GQPMDTOBLLLNNU-RBUKOAKNSA-N	1	0	353.466	1.895	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCCCCC)C2)C1	ZINC001108575279	928944602	/nfs/dbraw/zinc/94/46/02/928944602.db2.gz	BDDYXKWTKKTSPW-NXHRZFHOSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@](C)(CNC(=O)OC(C)(C)C)C1CC1	ZINC000766943356	929005385	/nfs/dbraw/zinc/00/53/85/929005385.db2.gz	ZBGRBGZZZKAUOS-KRWDZBQOSA-N	1	0	354.451	1.281	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2cnn(C)c2)[C@@H](n2ccnn2)C1	ZINC001129366006	929277063	/nfs/dbraw/zinc/27/70/63/929277063.db2.gz	KMYXTGJKWDJXRF-JQHSSLGASA-N	1	0	371.489	1.198	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000767459746	929296464	/nfs/dbraw/zinc/29/64/64/929296464.db2.gz	ALDMFUWINZQUNK-ROUUACIJSA-N	1	0	370.453	1.186	20	30		FDEDRO
CC(=O)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OCC#N)cc1	ZINC001108956354	929592813	/nfs/dbraw/zinc/59/28/13/929592813.db2.gz	OSVYCCJZQKWCDT-NEWSRXKRSA-N	1	0	370.453	1.289	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CCc2cc(C)cc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129375855	929625607	/nfs/dbraw/zinc/62/56/07/929625607.db2.gz	KTSDAQBFQZMCGG-UXHICEINSA-N	1	0	365.481	1.893	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COCCN1CC(F)F)C2	ZINC001109560759	929762793	/nfs/dbraw/zinc/76/27/93/929762793.db2.gz	PXBXQFNGJTWJJB-UGUYLWEFSA-N	1	0	357.445	1.640	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1cnn(C)c1	ZINC001109566604	929793755	/nfs/dbraw/zinc/79/37/55/929793755.db2.gz	KMOSAHZVXPVYAZ-LXZJYRNTSA-N	1	0	360.502	1.913	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O)C2	ZINC001109579400	929825227	/nfs/dbraw/zinc/82/52/27/929825227.db2.gz	UATSXYOIHUUTSV-KBMXLJTQSA-N	1	0	360.458	1.817	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1COC(=O)c1nccn2c(Br)cnc12	ZINC000770124050	929871120	/nfs/dbraw/zinc/87/11/20/929871120.db2.gz	HTGXSAJJADZSHK-NSHDSACASA-N	1	0	363.215	1.746	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCS(N)(=O)=O)C2	ZINC001109657271	930042512	/nfs/dbraw/zinc/04/25/12/930042512.db2.gz	HYZLTKZIVBYKAM-PMPSAXMXSA-N	1	0	357.520	1.523	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2	ZINC001109719944	930242506	/nfs/dbraw/zinc/24/25/06/930242506.db2.gz	SGQOJDPFXXDXCE-HKBOAZHASA-N	1	0	369.509	1.776	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nn(C)c(C)c1Cl)C2	ZINC001109767916	930367727	/nfs/dbraw/zinc/36/77/27/930367727.db2.gz	QRMWKLAJTGAFKP-RDBSUJKOSA-N	1	0	352.866	1.920	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCOC	ZINC001109806267	930468429	/nfs/dbraw/zinc/46/84/29/930468429.db2.gz	UDASUNUVZMUGJK-XWSJACJDSA-N	1	0	365.518	1.996	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccnn1C	ZINC001109804589	930495567	/nfs/dbraw/zinc/49/55/67/930495567.db2.gz	VCNWFUQUGHFOOY-XWSJACJDSA-N	1	0	373.501	1.155	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](OCC)C2CC2)nn1	ZINC001109814213	930516679	/nfs/dbraw/zinc/51/66/79/930516679.db2.gz	RHABZJQBLMNNGN-MXSMSXNCSA-N	1	0	359.474	1.614	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCN(C)S1(=O)=O)C2	ZINC001109826468	930529864	/nfs/dbraw/zinc/52/98/64/930529864.db2.gz	JNVOHTZKNMDXQB-QZWWFDLISA-N	1	0	371.547	1.712	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1	ZINC000771286948	930550177	/nfs/dbraw/zinc/55/01/77/930550177.db2.gz	HXTLONLJUCPBDX-ZIAGYGMSSA-N	1	0	362.376	1.959	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](C(=O)OC)c2ccc(OC)c(O)c2)CC1	ZINC000771569774	930750257	/nfs/dbraw/zinc/75/02/57/930750257.db2.gz	DMAAULSBZIKUMA-QGZVFWFLSA-N	1	0	360.410	1.076	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)NCc2ccc(COCC)cc2)CC1	ZINC000772109307	931080146	/nfs/dbraw/zinc/08/01/46/931080146.db2.gz	AVQWSUWCFPIOIW-UHFFFAOYSA-N	1	0	372.465	1.728	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2ccc(C(=O)OCC)cc2)CC1	ZINC000772115038	931082726	/nfs/dbraw/zinc/08/27/26/931082726.db2.gz	UXLQFVBBJKOIGC-UHFFFAOYSA-N	1	0	372.421	1.690	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2ccnn2C2CCCC2)CC1	ZINC000772115534	931083019	/nfs/dbraw/zinc/08/30/19/931083019.db2.gz	IURBTOWCNQWPSE-UHFFFAOYSA-N	1	0	358.442	1.825	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1nc3ncccn3n1)C2	ZINC001112548956	931512770	/nfs/dbraw/zinc/51/27/70/931512770.db2.gz	AXVDXZXKMOLIDT-KXBFYZLASA-N	1	0	370.457	1.159	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(N3CCOCC3)CCC1)C2	ZINC001112554370	931519515	/nfs/dbraw/zinc/51/95/15/931519515.db2.gz	OAHRCZQZNWZJEJ-ICSRJNTNSA-N	1	0	359.514	1.483	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC13CCCC3)C2	ZINC001112557995	931550065	/nfs/dbraw/zinc/55/00/65/931550065.db2.gz	JJDWQHMQLQRUOX-YRNRMSPPSA-N	1	0	358.486	1.425	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc3c([nH]c1=O)CCOC3)C2	ZINC001112561664	931589728	/nfs/dbraw/zinc/58/97/28/931589728.db2.gz	LTSOMLIWVPUFDK-KKSFZXQISA-N	1	0	369.465	1.715	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1[nH]c(=O)[nH]c(=O)c1OC)C2	ZINC001112562841	931595745	/nfs/dbraw/zinc/59/57/45/931595745.db2.gz	QGAMDMLNTGUYAV-SGTLLEGYSA-N	1	0	362.430	1.304	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)c1cccnc1)C2	ZINC001112564625	931608593	/nfs/dbraw/zinc/60/85/93/931608593.db2.gz	GPXMNMFWRGNXNK-MDKPJZGXSA-N	1	0	368.481	1.153	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC)C2)cn1	ZINC001112566207	931617591	/nfs/dbraw/zinc/61/75/91/931617591.db2.gz	PVQZKCBXTJMFKF-JXFKEZNVSA-N	1	0	354.454	1.031	20	30		FDEDRO
C[C@H]1CC[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)CC1	ZINC001112566570	931621348	/nfs/dbraw/zinc/62/13/48/931621348.db2.gz	LVEJENZXENVICN-BOSXTWCSSA-N	1	0	360.502	1.671	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@]1(C)CCS(=O)(=O)N1)C2	ZINC001112569903	931662952	/nfs/dbraw/zinc/66/29/52/931662952.db2.gz	USWZQTNNXILAEQ-JQHSSLGASA-N	1	0	369.531	1.253	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(CNC(N)=O)cc1)C2	ZINC001112575903	931707309	/nfs/dbraw/zinc/70/73/09/931707309.db2.gz	JTEIZEDXCOOBEZ-PXNSSMCTSA-N	1	0	356.470	1.873	20	30		FDEDRO
C[C@@](C#N)(NC(=O)COC(=O)CC1([NH+]2CCOCC2)CCCC1)C1CC1	ZINC000786095339	931746931	/nfs/dbraw/zinc/74/69/31/931746931.db2.gz	COCDCOWVODDIQH-SFHVURJKSA-N	1	0	363.458	1.373	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C13CCC(CC1)CC3)C2	ZINC001112583238	931753414	/nfs/dbraw/zinc/75/34/14/931753414.db2.gz	KGJQXXDPYQYTBY-JLPSEHFJSA-N	1	0	371.525	1.925	20	30		FDEDRO
CNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC#Cc1ccccc1)C2	ZINC001112583291	931753718	/nfs/dbraw/zinc/75/37/18/931753718.db2.gz	MKWVXSVCNKGYJK-JLMWRMLUSA-N	1	0	367.493	1.781	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)c1cc(C)oc1C)C2	ZINC001112581095	931763604	/nfs/dbraw/zinc/76/36/04/931763604.db2.gz	VRYISVZZGFAJBH-UWJYYQICSA-N	1	0	371.481	1.868	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)NC(=O)NC)C2	ZINC001112584973	931787711	/nfs/dbraw/zinc/78/77/11/931787711.db2.gz	SDCYJZUDURZVIH-KXBFYZLASA-N	1	0	350.507	1.879	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCCN(C)C2=O)C1	ZINC001112588787	931798523	/nfs/dbraw/zinc/79/85/23/931798523.db2.gz	UQOMYEZTMJCRHW-QKLQHJQFSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](CCCC)C(N)=O)C1	ZINC001112588902	931801240	/nfs/dbraw/zinc/80/12/40/931801240.db2.gz	BKCAJADIRAFVLI-QKLQHJQFSA-N	1	0	365.518	1.842	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(C(N)=O)cn1)C2	ZINC001112589874	931807722	/nfs/dbraw/zinc/80/77/22/931807722.db2.gz	UHMIHTRVEDVVBQ-JXFKEZNVSA-N	1	0	356.470	1.979	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)c1ccccc1)C2	ZINC001112590294	931835786	/nfs/dbraw/zinc/83/57/86/931835786.db2.gz	NKBOKGZHUACGDC-UGKGYDQZSA-N	1	0	369.509	1.991	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCCCS(N)(=O)=O)C2	ZINC001112595329	931893645	/nfs/dbraw/zinc/89/36/45/931893645.db2.gz	NVKPTKGRCSRGBP-WMZOPIPTSA-N	1	0	371.547	1.630	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1	ZINC000786681610	931991963	/nfs/dbraw/zinc/99/19/63/931991963.db2.gz	AVMDYKTZGKNGEE-UHFFFAOYSA-N	1	0	372.473	1.143	20	30		FDEDRO
N#Cc1ccnc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)c1	ZINC001170067770	932181234	/nfs/dbraw/zinc/18/12/34/932181234.db2.gz	WPDXGDJUBXLYQP-UHFFFAOYSA-N	1	0	353.407	1.655	20	30		FDEDRO
C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)NCc2cc(C#N)ccc2F)C1	ZINC000787706247	932377526	/nfs/dbraw/zinc/37/75/26/932377526.db2.gz	NJHGJOIAVICBFY-GJZGRUSLSA-N	1	0	374.460	1.798	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)NCCCC[NH+]1CCOCC1)c1ccncc1	ZINC000787895610	932478617	/nfs/dbraw/zinc/47/86/17/932478617.db2.gz	RYPMMUPKDVTBOP-QGZVFWFLSA-N	1	0	360.458	1.044	20	30		FDEDRO
CC(C)(C#N)CS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000790043759	933310796	/nfs/dbraw/zinc/31/07/96/933310796.db2.gz	UBJRZQNJKNJCTG-IRXDYDNUSA-N	1	0	365.499	1.339	20	30		FDEDRO
COC(=O)C[C@@]1([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCCOC1	ZINC000790339745	933495102	/nfs/dbraw/zinc/49/51/02/933495102.db2.gz	OOAKMFXJUOTPBI-XLIONFOSSA-N	1	0	371.437	1.756	20	30		FDEDRO
C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC000790968434	933805922	/nfs/dbraw/zinc/80/59/22/933805922.db2.gz	OKUXVNWXTZMACB-MRXNPFEDSA-N	1	0	358.442	1.764	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCN(C)C(=O)C2)C1	ZINC001086595573	933901256	/nfs/dbraw/zinc/90/12/56/933901256.db2.gz	IUOSHOVFWCNILN-GBESFXJTSA-N	1	0	353.466	1.462	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCOc3ccccc3)C[C@H]2O)cc1	ZINC001195205347	970765817	/nfs/dbraw/zinc/76/58/17/970765817.db2.gz	QTBZGKFJHKDBCZ-NHCUHLMSSA-N	1	0	364.445	1.912	20	30		FDEDRO
C#CCC[C@H](O)CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2	ZINC000822679125	945154855	/nfs/dbraw/zinc/15/48/55/945154855.db2.gz	AROOHQAJDBUXFP-ZVDOUQERSA-N	1	0	356.466	1.416	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC[C@H](c1ccco1)[NH+](CC)CC)[C@@H]1CCCO1	ZINC000793847958	938323752	/nfs/dbraw/zinc/32/37/52/938323752.db2.gz	PYQJICHRFHZZBJ-XHSDSOJGSA-N	1	0	361.442	1.076	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC2(CNc3nccnc3C#N)CCCCC2)CC[N@@H+]1C	ZINC001114186864	938325635	/nfs/dbraw/zinc/32/56/35/938325635.db2.gz	WRBKVWBKUYNCOE-HUUCEWRRSA-N	1	0	356.474	1.919	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2	ZINC001110101883	938376419	/nfs/dbraw/zinc/37/64/19/938376419.db2.gz	JPYHONFJKDKEGW-SQNIBIBYSA-N	1	0	360.502	1.004	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnn(CCOC)c2)C1	ZINC001086621752	938381668	/nfs/dbraw/zinc/38/16/68/938381668.db2.gz	MLAWOZJYZRMXLQ-RBUKOAKNSA-N	1	0	354.454	1.913	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC(=O)N2C)C1	ZINC001086622402	938399911	/nfs/dbraw/zinc/39/99/11/938399911.db2.gz	VNMKRCHQGDEJNJ-OTWHNJEPSA-N	1	0	353.466	1.605	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2CN(CC#CC)C[C@@H]2n2ccnn2)CCOCC1	ZINC001129412757	938408079	/nfs/dbraw/zinc/40/80/79/938408079.db2.gz	WGUOQNOWBUGEQF-SJORKVTESA-N	1	0	357.458	1.016	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)Cc2c(C)n[nH]c2C)[C@@H](n2ccnn2)C1	ZINC001129427552	938413476	/nfs/dbraw/zinc/41/34/76/938413476.db2.gz	DQUVXVHTVSGBNM-SJORKVTESA-N	1	0	357.462	1.168	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)CCc2ccccc2F)[C@@H](n2ccnn2)C1	ZINC001129428037	938413998	/nfs/dbraw/zinc/41/39/98/938413998.db2.gz	OZNGGWGCRQDXNH-MSOLQXFVSA-N	1	0	357.433	1.968	20	30		FDEDRO
C=CCN1C[C@@H](NC(=O)COc2ccc(C)c(C)c2)[C@@H](n2ccnn2)C1	ZINC001129445202	938418076	/nfs/dbraw/zinc/41/80/76/938418076.db2.gz	DIAZQTNHKMXGAR-MSOLQXFVSA-N	1	0	355.442	1.501	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1	ZINC001086622658	938422165	/nfs/dbraw/zinc/42/21/65/938422165.db2.gz	JNMQHNHNBKJESU-FUHWJXTLSA-N	1	0	352.438	1.554	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cncnc2CC)[C@@H](n2ccnn2)C1	ZINC001129438327	938425675	/nfs/dbraw/zinc/42/56/75/938425675.db2.gz	RGOFVFGDWKHLHT-SJORKVTESA-N	1	0	355.446	1.252	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2ccc(C)cc2)[C@@H](n2ccnn2)C1	ZINC001129471263	938430737	/nfs/dbraw/zinc/43/07/37/938430737.db2.gz	VVBMZGDHFGTCRR-SXLOBPIMSA-N	1	0	365.481	1.830	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC/C=C/CCC)C[C@@H]1n1ccnn1	ZINC001129481469	938434172	/nfs/dbraw/zinc/43/41/72/938434172.db2.gz	LUZNDOPHVUGUAU-GGMNTJEBSA-N	1	0	361.490	1.957	20	30		FDEDRO
C=CCN1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@@H](n2ccnn2)C1	ZINC001129460352	938435881	/nfs/dbraw/zinc/43/58/81/938435881.db2.gz	KAUWEFQMLNXQJO-SQNIBIBYSA-N	1	0	360.506	1.316	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)CCc2cscn2)[C@@H](n2ccnn2)C1	ZINC001129484899	938440434	/nfs/dbraw/zinc/44/04/34/938440434.db2.gz	OMHNLKOSVYKMJW-CVEARBPZSA-N	1	0	360.487	1.675	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@@H](n2ccnn2)C1	ZINC001129667541	938479003	/nfs/dbraw/zinc/47/90/03/938479003.db2.gz	YMHOXFFAEAVDRQ-MSOLQXFVSA-N	1	0	368.416	1.797	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cncc(C(N)=O)c2)C1	ZINC001086624441	938485628	/nfs/dbraw/zinc/48/56/28/938485628.db2.gz	FOBVOGUHXGBZKQ-ZWKOTPCHSA-N	1	0	350.422	1.564	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCCCC)C[C@@H]1n1ccnn1	ZINC001129674936	938490066	/nfs/dbraw/zinc/49/00/66/938490066.db2.gz	BALATIOUHZCBTL-BBWFWOEESA-N	1	0	365.478	1.027	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]CCOc2cccc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129677414	938490766	/nfs/dbraw/zinc/49/07/66/938490766.db2.gz	HBKOLVLOITZRKO-MOPGFXCFSA-N	1	0	369.469	1.973	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]C/C=C/c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129678187	938491440	/nfs/dbraw/zinc/49/14/40/938491440.db2.gz	YVCXJJBIKCYWJV-PRUJXARGSA-N	1	0	350.426	1.493	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cc(C)n[nH]2)C[C@@H]1n1ccnn1	ZINC001129727886	938495208	/nfs/dbraw/zinc/49/52/08/938495208.db2.gz	LUODFLJBGUFCCL-XYPHTWIQSA-N	1	0	357.462	1.249	20	30		FDEDRO
CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1n1ccnn1	ZINC001129738087	938497775	/nfs/dbraw/zinc/49/77/75/938497775.db2.gz	ZMWVWTCWTLUZSM-ZLKFPQNLSA-N	1	0	367.457	1.880	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]Cc2cnc(C)s2)[C@@H](n2ccnn2)C1	ZINC001129795260	938508931	/nfs/dbraw/zinc/50/89/31/938508931.db2.gz	DKKSKNUFWYEEEU-CVEARBPZSA-N	1	0	358.471	1.388	20	30		FDEDRO
CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1n1ccnn1	ZINC001129777969	938513512	/nfs/dbraw/zinc/51/35/12/938513512.db2.gz	GQPFTWWVBBAGHF-ZLKFPQNLSA-N	1	0	367.457	1.880	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cc2cncnc2)C[C@@H]1n1ccnn1	ZINC001129788470	938516286	/nfs/dbraw/zinc/51/62/86/938516286.db2.gz	JQCFEWZZPVZDHE-MSOLQXFVSA-N	1	0	369.473	1.399	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)nc2)[C@@H](n2ccnn2)C1	ZINC001129829662	938523700	/nfs/dbraw/zinc/52/37/00/938523700.db2.gz	MBJZLTWOXFTLKY-SJORKVTESA-N	1	0	368.441	1.027	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CCNC(=O)C[C@@H]2C[C@H]2c2ccc(OC)cc2)C1=O	ZINC001129845506	938525606	/nfs/dbraw/zinc/52/56/06/938525606.db2.gz	HBUPYBNOPBMTQQ-WDSOQIARSA-N	1	0	371.481	1.682	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3n[nH]cc32)C[C@@H]1n1ccnn1	ZINC001129845733	938525687	/nfs/dbraw/zinc/52/56/87/938525687.db2.gz	TUWLMSFWSAQZHK-XKQJLSEDSA-N	1	0	355.446	1.039	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCc2csc(C)n2)C[C@@H]1n1ccnn1	ZINC001129858084	938529861	/nfs/dbraw/zinc/52/98/61/938529861.db2.gz	ORCQZTIZZJATBZ-CVEARBPZSA-N	1	0	358.471	1.041	20	30		FDEDRO
CCn1nccc1[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]Cc1cccc(C#N)c1	ZINC001129860471	938530828	/nfs/dbraw/zinc/53/08/28/938530828.db2.gz	WKWIXMUAFFNLDX-IEBWSBKVSA-N	1	0	367.453	1.758	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCOCC(F)F)C[C@@H]1n1ccnn1	ZINC001129863815	938531906	/nfs/dbraw/zinc/53/19/06/938531906.db2.gz	KVJRVLUIFSNQTN-KFWWJZLASA-N	1	0	371.432	1.646	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc3c2CCCC3)C[C@@H]1n1ccnn1	ZINC001129864137	938531964	/nfs/dbraw/zinc/53/19/64/938531964.db2.gz	QJMNAYRRSIRUQK-UXHICEINSA-N	1	0	363.465	1.836	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C2(c3ccccn3)CC2)C[C@@H]1n1ccnn1	ZINC001129838604	938535454	/nfs/dbraw/zinc/53/54/54/938535454.db2.gz	YLRZQQWUNXCZQU-SJORKVTESA-N	1	0	366.469	1.713	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCOc2ccc(C)c(C)c2)C[C@@H]1n1ccnn1	ZINC001129884422	938538870	/nfs/dbraw/zinc/53/88/70/938538870.db2.gz	NONBTSZMWCXUQI-MOPGFXCFSA-N	1	0	369.469	1.892	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2(CC(C)C)CC2)C[C@@H]1n1ccnn1	ZINC001129890683	938541727	/nfs/dbraw/zinc/54/17/27/938541727.db2.gz	VWFTXXIENLZODW-SJORKVTESA-N	1	0	361.490	1.649	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H]([NH2+]C[C@H](CC)OC)[C@@H](n2ccnn2)C1	ZINC001129867852	938544141	/nfs/dbraw/zinc/54/41/41/938544141.db2.gz	YWZFESGOUDPCIW-KSZLIROESA-N	1	0	361.490	1.813	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C(C)(C)C(=C)Cl)C[C@@H]1n1ccnn1	ZINC001129867533	938544209	/nfs/dbraw/zinc/54/42/09/938544209.db2.gz	SZCJSXTVSINJMZ-CABCVRRESA-N	1	0	367.881	1.601	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H]([NH2+]CCOC2CCC2)[C@@H](n2ccnn2)C1	ZINC001129876192	938546476	/nfs/dbraw/zinc/54/64/76/938546476.db2.gz	DZBCSNQNYYVTKM-SJORKVTESA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H]([NH2+]CCc2cnn(C)c2)[C@@H](n2ccnn2)C1	ZINC001129876094	938546528	/nfs/dbraw/zinc/54/65/28/938546528.db2.gz	AYGYMNGDXQWDFI-SJORKVTESA-N	1	0	371.489	1.198	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C2(C(F)(F)F)CCC2)C[C@@H]1n1ccnn1	ZINC001129912524	938551548	/nfs/dbraw/zinc/55/15/48/938551548.db2.gz	MUGXDXKACFNHLB-OLZOCXBDSA-N	1	0	357.380	1.928	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccncc2CC)C[C@@H]1n1ccnn1	ZINC001129917064	938553830	/nfs/dbraw/zinc/55/38/30/938553830.db2.gz	KBNMAGZUHQMVCG-MSOLQXFVSA-N	1	0	370.457	1.093	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@](C)(F)CCCC)C[C@@H]1n1ccnn1	ZINC001129916940	938553941	/nfs/dbraw/zinc/55/39/41/938553941.db2.gz	IDIBFVGEVWBTBM-SOLBZPMBSA-N	1	0	367.469	1.741	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ncn3ccc(C)cc23)C[C@@H]1n1ccnn1	ZINC001129917484	938554454	/nfs/dbraw/zinc/55/44/54/938554454.db2.gz	UMTQQNBIDRMJGN-WBVHZDCISA-N	1	0	365.441	1.466	20	30		FDEDRO
CCC(CC)[C@@H](C)C(=O)N1C[C@@H]([NH2+]CC#CCOC)[C@@H](n2ccnn2)C1	ZINC001129917557	938554501	/nfs/dbraw/zinc/55/45/01/938554501.db2.gz	WNBMACZWNTWQDM-NXHRZFHOSA-N	1	0	361.490	1.342	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H]([NH2+]CCCOCC)[C@@H](n3ccnn3)C2)CCC1	ZINC001129894545	938555650	/nfs/dbraw/zinc/55/56/50/938555650.db2.gz	JBZWUUBFXHLIFA-SJORKVTESA-N	1	0	359.474	1.240	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCc2ncc(C)o2)C[C@@H]1n1ccnn1	ZINC001129894946	938556310	/nfs/dbraw/zinc/55/63/10/938556310.db2.gz	ZXJFMFJGQDYIJY-CVEARBPZSA-N	1	0	358.446	1.515	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2snnc2C2CC2)C[C@@H]1n1ccnn1	ZINC001129899840	938559452	/nfs/dbraw/zinc/55/94/52/938559452.db2.gz	OHCAQBQEKQLRPQ-OLZOCXBDSA-N	1	0	359.459	1.238	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001129931799	938561972	/nfs/dbraw/zinc/56/19/72/938561972.db2.gz	AADXLDFTVNDHAI-MOPGFXCFSA-N	1	0	351.454	1.584	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2cncnc2)C[C@@H]1n1ccnn1	ZINC001129932417	938562708	/nfs/dbraw/zinc/56/27/08/938562708.db2.gz	XMWIBPVRFJOXAC-SJORKVTESA-N	1	0	355.446	1.009	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)onc2C2CC2)C[C@@H]1n1ccnn1	ZINC001129936493	938563775	/nfs/dbraw/zinc/56/37/75/938563775.db2.gz	ATUSHUPTBGZDCN-CABCVRRESA-N	1	0	354.414	1.131	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC(C)(C)CO2)C[C@@H]1n1ccnn1	ZINC001129939751	938565797	/nfs/dbraw/zinc/56/57/97/938565797.db2.gz	VKRMBGWFBCWPGV-BBWFWOEESA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C(=O)Nc2ccccc2)C[C@@H]1n1ccnn1	ZINC001129923826	938569711	/nfs/dbraw/zinc/56/97/11/938569711.db2.gz	YUCKTXAQJLRYDC-SJORKVTESA-N	1	0	368.441	1.225	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc3cnccc3o2)C[C@@H]1n1ccnn1	ZINC001129924987	938570546	/nfs/dbraw/zinc/57/05/46/938570546.db2.gz	PPVVRFZKRFZUTM-CABCVRRESA-N	1	0	352.398	1.651	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc3[nH]ccc3n2)C[C@@H]1n1ccnn1	ZINC001129930777	938573215	/nfs/dbraw/zinc/57/32/15/938573215.db2.gz	UALJAKCNNRCZHF-MSOLQXFVSA-N	1	0	365.441	1.776	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCc2ccccc2C)C[C@@H]1n1ccnn1	ZINC001129948926	938573576	/nfs/dbraw/zinc/57/35/76/938573576.db2.gz	GPIKXBIOXGGMAC-UHOSZYNNSA-N	1	0	369.469	1.719	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](OCC)C2CCCC2)C[C@@H]1n1ccnn1	ZINC001129956944	938577274	/nfs/dbraw/zinc/57/72/74/938577274.db2.gz	PPKBWYXFUFQRMX-SQNIBIBYSA-N	1	0	359.474	1.238	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2ccc(C)n2)C[C@@H]1n1ccnn1	ZINC001129964065	938579616	/nfs/dbraw/zinc/57/96/16/938579616.db2.gz	UYPXKZMJDJWOMY-KSZLIROESA-N	1	0	371.489	1.742	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2cccc(Cl)c2)C[C@@H]1n1ccnn1	ZINC001129947503	938581932	/nfs/dbraw/zinc/58/19/32/938581932.db2.gz	CGVCIPBTUOXSQT-MSOLQXFVSA-N	1	0	371.872	1.929	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cn(C(C)C)cn2)C[C@@H]1n1ccnn1	ZINC001129947773	938582252	/nfs/dbraw/zinc/58/22/52/938582252.db2.gz	PAKKBDOPPPNYGQ-WBVHZDCISA-N	1	0	357.462	1.677	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cc[nH]c2C(C)C)C[C@@H]1n1ccnn1	ZINC001129972540	938591319	/nfs/dbraw/zinc/59/13/19/938591319.db2.gz	ADWVKJAPEBPYGM-SJORKVTESA-N	1	0	370.457	1.035	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H]([NH2+]CCOCC2CC2)[C@@H](n2ccnn2)C1	ZINC001129977855	938593092	/nfs/dbraw/zinc/59/30/92/938593092.db2.gz	IEFHPUIYURHKOL-JQHSSLGASA-N	1	0	361.490	1.649	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3ccc(F)cc32)C[C@@H]1n1ccnn1	ZINC001129980742	938596022	/nfs/dbraw/zinc/59/60/22/938596022.db2.gz	XAUTWGPGFJZXER-KSZLIROESA-N	1	0	353.401	1.122	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3cccnc32)C[C@@H]1n1ccnn1	ZINC001129983139	938597854	/nfs/dbraw/zinc/59/78/54/938597854.db2.gz	OCHOALZEWVBPIB-BBWFWOEESA-N	1	0	352.442	1.321	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](CCC)OCC)C[C@@H]1n1ccnn1	ZINC001129976751	938601370	/nfs/dbraw/zinc/60/13/70/938601370.db2.gz	XUACCYLTCCMDLW-IXDOHACOSA-N	1	0	365.478	1.027	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]([NH2+]CCC(=C)C)[C@@H](n3ccnn3)C2)c1	ZINC001129997590	938605631	/nfs/dbraw/zinc/60/56/31/938605631.db2.gz	UGBLZDTWVKIJSJ-MSOLQXFVSA-N	1	0	350.426	1.276	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccnc(OCC)c2)C[C@@H]1n1ccnn1	ZINC001130003028	938605955	/nfs/dbraw/zinc/60/59/55/938605955.db2.gz	ZPOJGBRUKCGBDK-SJORKVTESA-N	1	0	370.457	1.693	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001129986754	938610094	/nfs/dbraw/zinc/61/00/94/938610094.db2.gz	KURXQKAMMLBMDZ-MOPGFXCFSA-N	1	0	351.454	1.666	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC(c3cn[nH]c3)CC2)CC1	ZINC000804895391	938611861	/nfs/dbraw/zinc/61/18/61/938611861.db2.gz	IWOWFSPKDUFVHW-UHFFFAOYSA-N	1	0	359.474	1.272	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cccnc2OC)C[C@@H]1n1ccnn1	ZINC001129990018	938612199	/nfs/dbraw/zinc/61/21/99/938612199.db2.gz	IFJYZNYOBKGDFM-UAGQMJEPSA-N	1	0	370.457	1.692	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@@H]1n1ccnn1	ZINC001130012197	938614827	/nfs/dbraw/zinc/61/48/27/938614827.db2.gz	UJQTXPWAJZDPTJ-KONPQCLYSA-N	1	0	369.473	1.123	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)c(F)c2F)C[C@@H]1n1ccnn1	ZINC001130015613	938616731	/nfs/dbraw/zinc/61/67/31/938616731.db2.gz	ZOUBUONZSCCPDS-CABCVRRESA-N	1	0	359.380	1.543	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2noc3c2CCCCC3)C[C@@H]1n1ccnn1	ZINC001130023908	938618839	/nfs/dbraw/zinc/61/88/39/938618839.db2.gz	DSBROLBRSIWTRN-CVEARBPZSA-N	1	0	370.457	1.766	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001130022499	938620467	/nfs/dbraw/zinc/62/04/67/938620467.db2.gz	CCRHWADLSOYQKE-QRQLOZEOSA-N	1	0	351.454	1.755	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2ccco2)C[C@@H]1n1ccnn1	ZINC001130006177	938623631	/nfs/dbraw/zinc/62/36/31/938623631.db2.gz	WVAZLBPIGBDZMT-XHSDSOJGSA-N	1	0	359.430	1.219	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccn(CC)n2)C[C@@H]1n1ccnn1	ZINC001130028127	938630267	/nfs/dbraw/zinc/63/02/67/938630267.db2.gz	IMQGCKHEEQBUOS-UAGQMJEPSA-N	1	0	357.462	1.505	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2cn(C)nc2C)C[C@@H]1n1ccnn1	ZINC001130028262	938630434	/nfs/dbraw/zinc/63/04/34/938630434.db2.gz	NEIONMOFXBKOLC-MSOLQXFVSA-N	1	0	371.489	1.261	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3cc(F)ccc3o2)C[C@@H]1n1ccnn1	ZINC001130028410	938630832	/nfs/dbraw/zinc/63/08/32/938630832.db2.gz	RJHJUKGGYULGGP-CVEARBPZSA-N	1	0	367.384	1.842	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2nc(CC)oc2C)C[C@@H]1n1ccnn1	ZINC001130038324	938636334	/nfs/dbraw/zinc/63/63/34/938636334.db2.gz	XPVZPZRUBTVRLP-CABCVRRESA-N	1	0	358.446	1.758	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3ccccc3O2)C[C@@H]1n1ccnn1	ZINC001130054826	938640010	/nfs/dbraw/zinc/64/00/10/938640010.db2.gz	RDNCWUDCUKJGBO-AOIWGVFYSA-N	1	0	367.453	1.590	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCOc3ccccc32)C[C@@H]1n1ccnn1	ZINC001130044034	938643031	/nfs/dbraw/zinc/64/30/31/938643031.db2.gz	MWDLBVDXDFHDLY-KSZLIROESA-N	1	0	365.437	1.209	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cncc(Cl)c2)C[C@@H]1n1ccnn1	ZINC001130046996	938645897	/nfs/dbraw/zinc/64/58/97/938645897.db2.gz	SADMDVCCEUVXMK-CVEARBPZSA-N	1	0	360.849	1.948	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2scnc2C)C[C@@H]1n1ccnn1	ZINC001130065792	938653662	/nfs/dbraw/zinc/65/36/62/938653662.db2.gz	SWEIVTSAHOASHM-CABCVRRESA-N	1	0	358.471	1.041	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn(CC)c2C2CC2)C[C@@H]1n1ccnn1	ZINC001130081221	938662126	/nfs/dbraw/zinc/66/21/26/938662126.db2.gz	DLNAFBRMKQOITH-SJORKVTESA-N	1	0	367.457	1.051	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C(C)(C)CC(C)C)C[C@@H]1n1ccnn1	ZINC001130081259	938662610	/nfs/dbraw/zinc/66/26/10/938662610.db2.gz	FTGJVEFIZAGUAH-SJORKVTESA-N	1	0	363.506	1.895	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3nc[nH]c3C2)C[C@@H]1n1ccnn1	ZINC001130077363	938670760	/nfs/dbraw/zinc/67/07/60/938670760.db2.gz	DUXCENZMIZDJNV-QGTPRVQTSA-N	1	0	369.473	1.114	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)CC(F)(F)F)C[C@@H]1n1ccnn1	ZINC001130088867	938675221	/nfs/dbraw/zinc/67/52/21/938675221.db2.gz	MLAXVEFATDAJQE-MJBXVCDLSA-N	1	0	357.380	1.622	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)CC(C)C)C[C@@H]1n1ccnn1	ZINC001130089056	938675604	/nfs/dbraw/zinc/67/56/04/938675604.db2.gz	WLKJYPPKJNRXMX-KURKYZTESA-N	1	0	363.506	1.895	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]CCCCC)[C@@H](n3ccnn3)C2)nc1	ZINC001130091403	938676776	/nfs/dbraw/zinc/67/67/76/938676776.db2.gz	QJYZETBHONOEJV-MSOLQXFVSA-N	1	0	352.442	1.500	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2cc(C)ccc2F)C[C@@H]1n1ccnn1	ZINC001130094860	938679660	/nfs/dbraw/zinc/67/96/60/938679660.db2.gz	STXWEWYPKLQGOS-MSOLQXFVSA-N	1	0	355.417	1.333	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)cc2)C[C@@H]1n1ccnn1	ZINC001130099538	938682136	/nfs/dbraw/zinc/68/21/36/938682136.db2.gz	HLUHWWVHCNFOMR-MSOLQXFVSA-N	1	0	371.441	1.145	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(OC)cc2)C[C@@H]1n1ccnn1	ZINC001130099986	938682536	/nfs/dbraw/zinc/68/25/36/938682536.db2.gz	SZYUKEZHRZJDEG-MOPGFXCFSA-N	1	0	369.469	1.837	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)cc2)C[C@@H]1n1ccnn1	ZINC001130102275	938684512	/nfs/dbraw/zinc/68/45/12/938684512.db2.gz	PZDAYKJDSPXYKJ-MSOLQXFVSA-N	1	0	352.442	1.023	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c(C)nn(C)c2F)C[C@@H]1n1ccnn1	ZINC001130105362	938686254	/nfs/dbraw/zinc/68/62/54/938686254.db2.gz	YZGOQFVTCNAOAT-KGLIPLIRSA-N	1	0	361.425	1.081	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cncnc2C2CC2)C[C@@H]1n1ccnn1	ZINC001130107032	938686827	/nfs/dbraw/zinc/68/68/27/938686827.db2.gz	FFOKUSNVNANGQQ-CVEARBPZSA-N	1	0	353.430	1.177	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]([NH2+]CC(C)C)[C@@H](n3ccnn3)C2)CCOCC1	ZINC001130109658	938688485	/nfs/dbraw/zinc/68/84/85/938688485.db2.gz	DRIHMYHQRXYGCY-SJORKVTESA-N	1	0	361.490	1.649	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2ccccc2Cl)C[C@@H]1n1ccnn1	ZINC001130112764	938692648	/nfs/dbraw/zinc/69/26/48/938692648.db2.gz	QLRRZPVSEAQKKM-MSOLQXFVSA-N	1	0	371.872	1.929	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)OC)C[C@@H]1n1ccnn1	ZINC001130127906	938697646	/nfs/dbraw/zinc/69/76/46/938697646.db2.gz	OWEVNFPIDIIHKX-CEXWTWQISA-N	1	0	369.469	1.453	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CN2CCc3ccccc32)C[C@@H]1n1ccnn1	ZINC001130127891	938697683	/nfs/dbraw/zinc/69/76/83/938697683.db2.gz	NXPPLTHHBMIXGD-MJGOQNOKSA-N	1	0	366.469	1.258	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2c(C)n[nH]c2C)C[C@@H]1n1ccnn1	ZINC001130120977	938703562	/nfs/dbraw/zinc/70/35/62/938703562.db2.gz	HOGWVNMAIDDWDP-SJORKVTESA-N	1	0	357.462	1.168	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCOCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130132665	938707802	/nfs/dbraw/zinc/70/78/02/938707802.db2.gz	KFLXOXVKPVCSRN-MOPGFXCFSA-N	1	0	369.469	1.803	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2cscn2)C[C@@H]1n1ccnn1	ZINC001130148090	938712976	/nfs/dbraw/zinc/71/29/76/938712976.db2.gz	FKKYKNFAVHPIPA-CVEARBPZSA-N	1	0	360.487	1.675	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2ccccc2C)C[C@@H]1n1ccnn1	ZINC001130143495	938714493	/nfs/dbraw/zinc/71/44/93/938714493.db2.gz	WINIRVQCOXWJBH-RLLQIKCJSA-N	1	0	365.481	1.830	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2ccccc2C)C[C@@H]1n1ccnn1	ZINC001130153509	938717594	/nfs/dbraw/zinc/71/75/94/938717594.db2.gz	WJTPHJGSSSAMLM-MOPGFXCFSA-N	1	0	365.481	1.929	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)CCOc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130158828	938720380	/nfs/dbraw/zinc/72/03/80/938720380.db2.gz	UIEJOEJRLPTCSH-UHOSZYNNSA-N	1	0	369.469	1.911	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CC(F)(F)C(F)(F)F)C[C@@H]1n1ccnn1	ZINC001130163454	938721942	/nfs/dbraw/zinc/72/19/42/938721942.db2.gz	KVBHVXUFJSAPAX-MNOVXSKESA-N	1	0	367.322	1.783	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CC(F)(F)C(F)(F)F)C[C@@H]1n1ccnn1	ZINC001130163180	938721990	/nfs/dbraw/zinc/72/19/90/938721990.db2.gz	DPFLCLAGXAYCEG-ZJUUUORDSA-N	1	0	353.295	1.393	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]([NH2+][C@@H](C)COC)[C@@H](n3ccnn3)C2)CCCC1	ZINC001130163788	938722028	/nfs/dbraw/zinc/72/20/28/938722028.db2.gz	RJJBKTVFBPIHKM-BBWFWOEESA-N	1	0	361.490	1.791	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCC2CCCC2)n1	ZINC001130181468	938728293	/nfs/dbraw/zinc/72/82/93/938728293.db2.gz	JBKXNXRKRQMYBT-HOTGVXAUSA-N	1	0	359.474	1.487	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2oc(C)cc2C)[nH]1	ZINC001130195831	938738783	/nfs/dbraw/zinc/73/87/83/938738783.db2.gz	FATOYCLRDILLFW-GJZGRUSLSA-N	1	0	371.441	1.430	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2oc(C)cc2C)n1	ZINC001130196155	938739420	/nfs/dbraw/zinc/73/94/20/938739420.db2.gz	UPFHGNCGRGOZPM-KBPBESRZSA-N	1	0	357.414	1.040	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)C2CC2)[nH]1	ZINC001130196105	938739572	/nfs/dbraw/zinc/73/95/72/938739572.db2.gz	SCLOGEBBLQAGQK-KBMXLJTQSA-N	1	0	361.490	1.895	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)oc2C)[nH]1	ZINC001130183194	938742776	/nfs/dbraw/zinc/74/27/76/938742776.db2.gz	VTTHZKYVKQRKLI-HOCLYGCPSA-N	1	0	371.441	1.430	20	30		FDEDRO
CC/C=C/CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)C#N)[nH]1	ZINC001130203206	938744877	/nfs/dbraw/zinc/74/48/77/938744877.db2.gz	SXQHULSSHWQXDQ-LSAHJQLBSA-N	1	0	360.462	1.399	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2=CCCC2)[nH]1	ZINC001130203283	938745175	/nfs/dbraw/zinc/74/51/75/938745175.db2.gz	WXCZYTLZBDLNLM-HOTGVXAUSA-N	1	0	359.474	1.960	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(CC=C)CC=C)[nH]1	ZINC001130213238	938750482	/nfs/dbraw/zinc/75/04/82/938750482.db2.gz	VOUSXEOJJSRROH-HOTGVXAUSA-N	1	0	359.474	1.837	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2C=CC=CC=C2)n1	ZINC001130216006	938752249	/nfs/dbraw/zinc/75/22/49/938752249.db2.gz	MENXYBHIAQMYJT-IRXDYDNUSA-N	1	0	367.453	1.205	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1	ZINC001130225228	938759831	/nfs/dbraw/zinc/75/98/31/938759831.db2.gz	YBAFERHZUMMKCQ-STQMWFEESA-N	1	0	353.442	1.455	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)[nH]c2C)[nH]1	ZINC001130240138	938763020	/nfs/dbraw/zinc/76/30/20/938763020.db2.gz	KDTSPKPSTHTQCU-ZFWWWQNUSA-N	1	0	358.446	1.328	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)[nH]1	ZINC001130234951	938766075	/nfs/dbraw/zinc/76/60/75/938766075.db2.gz	QPKLWFIDPLGCQR-YZVOILCLSA-N	1	0	361.490	1.895	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(CF)CCC2)[nH]1	ZINC001130237788	938767234	/nfs/dbraw/zinc/76/72/34/938767234.db2.gz	DRELDEWYVZLYLJ-KBPBESRZSA-N	1	0	365.453	1.599	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)c2cccnc2)[nH]1	ZINC001130249163	938773690	/nfs/dbraw/zinc/77/36/90/938773690.db2.gz	MWQZQEGCTZRRRS-KBMXLJTQSA-N	1	0	370.457	1.268	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CO[C@H](C)CC)CC1	ZINC001130281572	938779468	/nfs/dbraw/zinc/77/94/68/938779468.db2.gz	JKUKAULWMOHPHE-MDYRTPRTSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CC=CC[C@H]2C(F)(F)F)C1=O	ZINC001130271293	938784902	/nfs/dbraw/zinc/78/49/02/938784902.db2.gz	SSRRBTFTTRUMTF-MCIONIFRSA-N	1	0	359.392	1.624	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCOCC)CC1	ZINC001130276464	938787280	/nfs/dbraw/zinc/78/72/80/938787280.db2.gz	BHOFGSNLVJMDTK-APWZRJJASA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@@H](C)OC)CC1	ZINC001130276792	938787828	/nfs/dbraw/zinc/78/78/28/938787828.db2.gz	PTQDVHZJNOSLQZ-OGWOLHLISA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](CC)OC)CC1	ZINC001130285563	938790473	/nfs/dbraw/zinc/79/04/73/938790473.db2.gz	KLAUACIABSPIHH-LMMKCTJWSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC(C)(C)O)CC1	ZINC001130288483	938793472	/nfs/dbraw/zinc/79/34/72/938793472.db2.gz	RLNAUKWQXHVXFN-APWZRJJASA-N	1	0	365.518	1.589	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(C)(C)COC)CC1	ZINC001130293544	938796955	/nfs/dbraw/zinc/79/69/55/938796955.db2.gz	ZJXNAQPANRXSDO-AEFFLSMTSA-N	1	0	363.502	1.158	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1	ZINC001130298890	938799043	/nfs/dbraw/zinc/79/90/43/938799043.db2.gz	KXGOPHSFNJJTOZ-AYBZRNKSSA-N	1	0	351.491	1.056	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)C(C)(F)F)CC1	ZINC001130301827	938800300	/nfs/dbraw/zinc/80/03/00/938800300.db2.gz	GYYLNWVMHKAAJO-BJJXKVORSA-N	1	0	355.429	1.386	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC(C)C)CC1	ZINC001130309024	938806364	/nfs/dbraw/zinc/80/63/64/938806364.db2.gz	BJBXUMBMMXSJFM-XLIONFOSSA-N	1	0	365.518	1.711	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)CC1	ZINC000805753188	938816335	/nfs/dbraw/zinc/81/63/35/938816335.db2.gz	MTCAGGKTJZQDGA-UHFFFAOYSA-N	1	0	373.472	1.584	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(C)nn2C)C[C@H]1c1cn(C)cn1	ZINC001130510675	938883979	/nfs/dbraw/zinc/88/39/79/938883979.db2.gz	FCCMWMLIKPURMR-DOTOQJQBSA-N	1	0	356.474	1.626	20	30		FDEDRO
C#CCCN1CC[NH+](C[C@@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000822784954	945224524	/nfs/dbraw/zinc/22/45/24/945224524.db2.gz	IYZAJDFEWNODQA-GOSISDBHSA-N	1	0	365.518	1.635	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCCCF)C1	ZINC001130573880	939874119	/nfs/dbraw/zinc/87/41/19/939874119.db2.gz	DLWCGUDVYYGYFW-WDYCEAGBSA-N	1	0	366.481	1.771	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cc[nH]c2CC)C[C@H]1c1cn(C)cn1	ZINC001130576587	939879718	/nfs/dbraw/zinc/87/97/18/939879718.db2.gz	VFBTYKQTQBZXDE-QFBILLFUSA-N	1	0	371.485	1.711	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2C=CC=CC=C2)C[C@H]1c1cn(C)cn1	ZINC001130600893	939895683	/nfs/dbraw/zinc/89/56/83/939895683.db2.gz	RCRTWUGXQWCNMX-AZUAARDMSA-N	1	0	366.465	1.252	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC/C=C/CC)C1	ZINC001130592871	939900077	/nfs/dbraw/zinc/90/00/77/939900077.db2.gz	IYFQKHBDWYNESM-UWGFLQGQSA-N	1	0	358.486	1.699	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)nn2C)C[C@H]1c1cn(C)cn1	ZINC001130598979	939904741	/nfs/dbraw/zinc/90/47/41/939904741.db2.gz	BMAPWAGLBYJNJC-MAUKXSAKSA-N	1	0	366.469	1.252	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccnn2[C@@H](C)CC)C[C@H]1c1cn(C)cn1	ZINC001130599359	939905010	/nfs/dbraw/zinc/90/50/10/939905010.db2.gz	PEHFQSGYQYMINV-XYJFISCASA-N	1	0	368.485	1.809	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccn(C(F)F)n2)C[C@H]1c1cn(C)cn1	ZINC001130599631	939905477	/nfs/dbraw/zinc/90/54/77/939905477.db2.gz	XYHSFDKMGZOONS-SWLSCSKDSA-N	1	0	362.384	1.233	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1c1cn(C)cn1	ZINC001130611673	939909446	/nfs/dbraw/zinc/90/94/46/939909446.db2.gz	GHOXIUPINODVFV-OFQRWUPVSA-N	1	0	361.490	1.170	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccnn2C)C1	ZINC001130602658	939914223	/nfs/dbraw/zinc/91/42/23/939914223.db2.gz	MFVMHPOTYAPMDX-FUHWJXTLSA-N	1	0	370.501	1.840	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cncn2C)C1	ZINC001130602493	939914239	/nfs/dbraw/zinc/91/42/39/939914239.db2.gz	DLOSVGXBKXZRBK-FUHWJXTLSA-N	1	0	356.474	1.594	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOCCOC)C1	ZINC001130603104	939914923	/nfs/dbraw/zinc/91/49/23/939914923.db2.gz	YXHFEZUNUSXQQI-FUHWJXTLSA-N	1	0	364.490	1.323	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(F)(F)C2)C[C@H]1c1cn(C)cn1	ZINC001130604817	939916052	/nfs/dbraw/zinc/91/60/52/939916052.db2.gz	PGFYGWUGBIGIRV-IJEWVQPXSA-N	1	0	350.413	1.763	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC2(F)F)C[C@H]1c1cn(C)cn1	ZINC001130615495	939917029	/nfs/dbraw/zinc/91/70/29/939917029.db2.gz	SEWJQOKUHCJNQE-SQWLQELKSA-N	1	0	368.428	1.552	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2conc2C(C)C)C[C@H]1c1cn(C)cn1	ZINC001130607699	939919381	/nfs/dbraw/zinc/91/93/81/939919381.db2.gz	JZWLCQIFVAJSFV-WMLDXEAASA-N	1	0	355.442	1.753	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c(C)nnn2CC)C[C@H]1c1cn(C)cn1	ZINC001130608013	939919989	/nfs/dbraw/zinc/91/99/89/939919989.db2.gz	WVTFWIIPZMWSQH-DOTOQJQBSA-N	1	0	371.489	1.504	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cncc3[nH]ccc32)C[C@H]1c1cn(C)cn1	ZINC001130622150	939920905	/nfs/dbraw/zinc/92/09/05/939920905.db2.gz	TVPRCSFPZVPEHV-QFBILLFUSA-N	1	0	362.437	1.518	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)COCc2ncc(C)o2)C[C@H]1c1cn(C)cn1	ZINC001130625897	939923284	/nfs/dbraw/zinc/92/32/84/939923284.db2.gz	BCCWKVMOKRWFTP-GOEBONIOSA-N	1	0	359.430	1.003	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2cncc(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130627196	939924903	/nfs/dbraw/zinc/92/49/03/939924903.db2.gz	YRSWWVRMTZTROR-AZUAARDMSA-N	1	0	365.481	1.664	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnc(Cl)n2C)C[C@H]1c1cn(C)cn1	ZINC001130628200	939925478	/nfs/dbraw/zinc/92/54/78/939925478.db2.gz	DPROICSRNZAIQD-GXTWGEPZSA-N	1	0	360.849	1.028	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2CC)C[C@H]1c1cn(C)cn1	ZINC001130621797	939931636	/nfs/dbraw/zinc/93/16/36/939931636.db2.gz	FSFRFICHOCKHSP-MAUKXSAKSA-N	1	0	356.474	1.870	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ncc(C)cc2C)C[C@H]1c1cn(C)cn1	ZINC001130630853	939935059	/nfs/dbraw/zinc/93/50/59/939935059.db2.gz	YNQYUCJDDGGPTI-FUHWJXTLSA-N	1	0	351.454	1.653	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2ccnc(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130637715	939939431	/nfs/dbraw/zinc/93/94/31/939939431.db2.gz	IJKNSTLNZFKVAD-PKOBYXMFSA-N	1	0	368.485	1.611	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](OCC)C2CCCC2)C[C@H]1c1cn(C)cn1	ZINC001130637621	939939519	/nfs/dbraw/zinc/93/95/19/939939519.db2.gz	CIMFMBVJBYTCFN-QXAKKESOSA-N	1	0	358.486	1.533	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@@H](C)C(=O)NC)C1	ZINC001130642528	939950108	/nfs/dbraw/zinc/95/01/08/939950108.db2.gz	RDDRFTFTCSMFMD-OFQRWUPVSA-N	1	0	361.490	1.041	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)CC(F)(F)F)C[C@H]1c1cn(C)cn1	ZINC001130659032	939965014	/nfs/dbraw/zinc/96/50/14/939965014.db2.gz	AUGSCCWCNCMSQT-KCQAQPDRSA-N	1	0	356.392	1.916	20	30		FDEDRO
C[N@H+](Cc1ccccc1)C1CN(C(=O)NCCNc2ncccc2C#N)C1	ZINC000806535348	939966827	/nfs/dbraw/zinc/96/68/27/939966827.db2.gz	QZDCSTLUXNMQCA-UHFFFAOYSA-N	1	0	364.453	1.891	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CC(C)(F)F)C[C@H]1c1cn(C)cn1	ZINC001130662424	939967797	/nfs/dbraw/zinc/96/77/97/939967797.db2.gz	XXHKGNVYVCPOTJ-DZGCQCFKSA-N	1	0	356.417	1.552	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccnc2)C[C@H]1c1cn(C)cn1	ZINC001130677633	939974206	/nfs/dbraw/zinc/97/42/06/939974206.db2.gz	BGHHMFFCZYMDLX-HLNWXESRSA-N	1	0	363.465	1.526	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCc2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130682650	939982211	/nfs/dbraw/zinc/98/22/11/939982211.db2.gz	HBNVMCLTHNMRAQ-IMFGXOCKSA-N	1	0	366.465	1.543	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130683010	939983014	/nfs/dbraw/zinc/98/30/14/939983014.db2.gz	UGRSHBVHCDRWOU-KBXCAEBGSA-N	1	0	352.442	1.242	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2nc(C3CC3)oc2C)C[C@H]1c1cn(C)cn1	ZINC001130704373	939985238	/nfs/dbraw/zinc/98/52/38/939985238.db2.gz	MOBYTVJXIIUWDO-DOTOQJQBSA-N	1	0	367.453	1.815	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C)cc2=O)C[C@H]1c1cn(C)cn1	ZINC001130708209	940013935	/nfs/dbraw/zinc/01/39/35/940013935.db2.gz	BJXFQSCDUGLTPP-DOTOQJQBSA-N	1	0	355.442	1.191	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ncccc2OC)C[C@H]1c1cn(C)cn1	ZINC001130719374	940022814	/nfs/dbraw/zinc/02/28/14/940022814.db2.gz	MMNXCXAUOVBILG-DOTOQJQBSA-N	1	0	369.469	1.988	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCOc2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130725981	940030713	/nfs/dbraw/zinc/03/07/13/940030713.db2.gz	KBQXLKWWNGWZDN-PKOBYXMFSA-N	1	0	352.438	1.406	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2sc(C)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130726170	940030975	/nfs/dbraw/zinc/03/09/75/940030975.db2.gz	OARXZTWSIFWUFY-GOEBONIOSA-N	1	0	357.483	1.715	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@H]2COC(=O)NC)CC1	ZINC000806744575	940043546	/nfs/dbraw/zinc/04/35/46/940043546.db2.gz	FHQGERQVXQGMMI-INIZCTEOSA-N	1	0	352.479	1.947	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCC=C)C[C@H]1c1cn(C)cn1	ZINC001130741435	940044978	/nfs/dbraw/zinc/04/49/78/940044978.db2.gz	BPZIAVKAQDOMOC-SOLBZPMBSA-N	1	0	362.474	1.098	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccco3)n2)O1	ZINC001130745326	940049645	/nfs/dbraw/zinc/04/96/45/940049645.db2.gz	WFDJXOLBUJGJDB-NWDGAFQWSA-N	1	0	365.821	1.890	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CSC)n2)O1	ZINC001130752857	940060586	/nfs/dbraw/zinc/06/05/86/940060586.db2.gz	DUGRCEFPZAGBGH-MELADBBJSA-N	1	0	367.519	1.948	20	30		FDEDRO
CCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC#CCOC)O2)n[nH]1	ZINC001130762588	940070899	/nfs/dbraw/zinc/07/08/99/940070899.db2.gz	YAQANSGQKUMZDG-LSDHHAIUSA-N	1	0	363.462	1.071	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCCC(C)=O)n2)O1	ZINC001130756387	940077684	/nfs/dbraw/zinc/07/76/84/940077684.db2.gz	DMRDNJPZAOXZJU-LSDHHAIUSA-N	1	0	361.446	1.013	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCOCC)n2)O1	ZINC001130764979	940093926	/nfs/dbraw/zinc/09/39/26/940093926.db2.gz	AXJNNOSYJLZGFP-UONOGXRCSA-N	1	0	351.451	1.233	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3=COCCC3)n2)O1	ZINC001130767752	940102176	/nfs/dbraw/zinc/10/21/76/940102176.db2.gz	QVFRIQJKKMNEEH-LSDHHAIUSA-N	1	0	361.446	1.501	20	30		FDEDRO
C=CCOCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C/C=C\Cl)O2)n[nH]1	ZINC001130767616	940102330	/nfs/dbraw/zinc/10/23/30/940102330.db2.gz	PFIHEFZAISCDJQ-SRGUYAIJSA-N	1	0	369.853	1.186	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H](C)OC)n2)O1	ZINC001130769599	940106815	/nfs/dbraw/zinc/10/68/15/940106815.db2.gz	LLPWWTCNLZLNJB-FRRDWIJNSA-N	1	0	371.869	1.408	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](CC)SC)n2)O1	ZINC001130776379	940124909	/nfs/dbraw/zinc/12/49/09/940124909.db2.gz	BPSMMVZEFCZEQU-BFHYXJOUSA-N	1	0	365.503	1.396	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C)cs3)n2)O1	ZINC001130778407	940132273	/nfs/dbraw/zinc/13/22/73/940132273.db2.gz	WPZYRUGWMCLZHC-QWHCGFSZSA-N	1	0	359.455	1.548	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(C)nn3)n2)O1	ZINC001130780759	940135167	/nfs/dbraw/zinc/13/51/67/940135167.db2.gz	AQJJFKBRFOOEOJ-DZGCQCFKSA-N	1	0	371.445	1.219	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccncc3C)n2)O1	ZINC001130781091	940136117	/nfs/dbraw/zinc/13/61/17/940136117.db2.gz	NWWXMZXOQAQIQE-GOEBONIOSA-N	1	0	368.441	1.271	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCCOCC3)n2)O1	ZINC001130781092	940136223	/nfs/dbraw/zinc/13/62/23/940136223.db2.gz	NYYXGEYPVZYCPM-QLFBSQMISA-N	1	0	363.462	1.233	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3c(C)coc3C)n2)O1	ZINC001130781297	940137229	/nfs/dbraw/zinc/13/72/29/940137229.db2.gz	XGEVPTKSMWOCBE-LSDHHAIUSA-N	1	0	371.441	1.778	20	30		FDEDRO
C#CCCCNC(=O)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1	ZINC000806912838	940139459	/nfs/dbraw/zinc/13/94/59/940139459.db2.gz	MOHHDOZAJWCLTN-UHFFFAOYSA-N	1	0	355.482	1.887	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3sccc3F)n2)O1	ZINC001130783226	940143035	/nfs/dbraw/zinc/14/30/35/940143035.db2.gz	QZYPAOTUSLTMTB-CMPLNLGQSA-N	1	0	363.418	1.378	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCCC3CC3)n2)O1	ZINC001130796152	940150702	/nfs/dbraw/zinc/15/07/02/940150702.db2.gz	KGOXVXHYBOYODD-JKSUJKDBSA-N	1	0	359.474	1.834	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3cnccc3C)n2)O1	ZINC001130787201	940154897	/nfs/dbraw/zinc/15/48/97/940154897.db2.gz	DSJAYEOKOHSGPC-JKSUJKDBSA-N	1	0	370.457	1.363	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)C3CCC3)n2)O1	ZINC001130792581	940171502	/nfs/dbraw/zinc/17/15/02/940171502.db2.gz	LENGEXKSLNKRHL-VNQPRFMTSA-N	1	0	359.474	1.690	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)C(CC)CC)n2)O1	ZINC001130792680	940171859	/nfs/dbraw/zinc/17/18/59/940171859.db2.gz	REZACBWBMHBMOV-VNQPRFMTSA-N	1	0	361.490	1.936	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3ccc(C)cc3)n2)O1	ZINC001130792636	940172002	/nfs/dbraw/zinc/17/20/02/940172002.db2.gz	OCCBIENXIWALQX-DLBZAZTESA-N	1	0	367.453	1.415	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](OC)C(C)C)n2)O1	ZINC001130804260	940175521	/nfs/dbraw/zinc/17/55/21/940175521.db2.gz	BDAJCWWWVVEGSX-SQWLQELKSA-N	1	0	365.478	1.478	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3occc3CC)n2)O1	ZINC001130804753	940176174	/nfs/dbraw/zinc/17/61/74/940176174.db2.gz	NTRQRHQJCJWNDO-UONOGXRCSA-N	1	0	357.414	1.333	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(C)CC=CC3)n2)O1	ZINC001130804830	940177004	/nfs/dbraw/zinc/17/70/04/940177004.db2.gz	PFAYQIZOCMZMHY-LSDHHAIUSA-N	1	0	357.458	1.610	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(CC=C)CCC3)n2)O1	ZINC001130805050	940177027	/nfs/dbraw/zinc/17/70/27/940177027.db2.gz	UAKTVLJAYZGRIU-LSDHHAIUSA-N	1	0	357.458	1.610	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccn(C)c3CC)n2)O1	ZINC001130809058	940185540	/nfs/dbraw/zinc/18/55/40/940185540.db2.gz	FGVJCNZHBAPQON-XJKSGUPXSA-N	1	0	370.457	1.079	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)C(C)(F)F)n2)O1	ZINC001130809407	940188103	/nfs/dbraw/zinc/18/81/03/940188103.db2.gz	WWEYROQYYYTPOO-SDDRHHMPSA-N	1	0	357.405	1.708	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCCF)n2)O1	ZINC001130799501	940192126	/nfs/dbraw/zinc/19/21/26/940192126.db2.gz	JZBSWZVBEQKXGD-UONOGXRCSA-N	1	0	353.442	1.947	20	30		FDEDRO
C=CCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C[C@@H](C)OC)O2)n[nH]1	ZINC001130799691	940193952	/nfs/dbraw/zinc/19/39/52/940193952.db2.gz	SHDFNYCQWYNOII-QLFBSQMISA-N	1	0	365.478	1.622	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC(C)C)O2)n[nH]1	ZINC001130822798	940203041	/nfs/dbraw/zinc/20/30/41/940203041.db2.gz	MKLMOAAIHLTEJB-SOUVJXGZSA-N	1	0	365.478	1.478	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(C)CCOCC3)n2)O1	ZINC001130813576	940212365	/nfs/dbraw/zinc/21/23/65/940212365.db2.gz	RWVJQIDFUXFXDR-UONOGXRCSA-N	1	0	363.462	1.233	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccccc3OC)n2)O1	ZINC001130816040	940217179	/nfs/dbraw/zinc/21/71/79/940217179.db2.gz	KOFSLCFKDIHAKV-XJKSGUPXSA-N	1	0	371.441	1.739	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)CCOC)n2)O1	ZINC001130817358	940221540	/nfs/dbraw/zinc/22/15/40/940221540.db2.gz	MSLBGZSANWDMBE-SOUVJXGZSA-N	1	0	365.478	1.479	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccccc2O)C[C@H]1c1cncn1C	ZINC001130915940	940325092	/nfs/dbraw/zinc/32/50/92/940325092.db2.gz	SUGBEMCCBHLOTO-IAGOWNOFSA-N	1	0	370.453	1.526	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@H]1c1cncn1C	ZINC001130921113	940331610	/nfs/dbraw/zinc/33/16/10/940331610.db2.gz	XDZGLNQJKAFXPN-ARFHVFGLSA-N	1	0	361.515	1.916	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cncnc3C)C2)C1=O	ZINC001086651360	940339736	/nfs/dbraw/zinc/33/97/36/940339736.db2.gz	SPAIKPSHAHFHIC-UXLLHSPISA-N	1	0	357.458	1.060	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCc2ccnn2C)C1	ZINC001130935622	940344659	/nfs/dbraw/zinc/34/46/59/940344659.db2.gz	CUXFISUHTIWWCQ-IAGOWNOFSA-N	1	0	356.474	1.247	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCC(=O)NCC)C[C@H]1c1cncn1C	ZINC001130944121	940354469	/nfs/dbraw/zinc/35/44/69/940354469.db2.gz	WHIAJDOALFCURH-HZPDHXFCSA-N	1	0	361.490	1.187	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1c1cncn1C	ZINC001130957025	940362355	/nfs/dbraw/zinc/36/23/55/940362355.db2.gz	JPFPRMQPHFLHAH-NVXWUHKLSA-N	1	0	352.442	1.784	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@H]2COC(=O)C2)C[C@H]1c1cncn1C	ZINC001130959553	940365246	/nfs/dbraw/zinc/36/52/46/940365246.db2.gz	OQACGWRHPBEYAE-BZUAXINKSA-N	1	0	360.458	1.224	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2oc(C)cc2C)C[C@H]1c1cncn1C	ZINC001130953825	940374132	/nfs/dbraw/zinc/37/41/32/940374132.db2.gz	LKEGDRRQEOJQLY-IAGOWNOFSA-N	1	0	370.453	1.478	20	30		FDEDRO
C[C@H]1[C@H](NC(=O)C(=O)Nc2cnn(CC#N)c2)CC[N@@H+]1Cc1ccccc1	ZINC000807544496	940397051	/nfs/dbraw/zinc/39/70/51/940397051.db2.gz	UHKLQHOUZLSIAO-WMLDXEAASA-N	1	0	366.425	1.124	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCc2ccns2)C1	ZINC001130991468	940414089	/nfs/dbraw/zinc/41/40/89/940414089.db2.gz	MSLIQTIFGDHPQF-IAGOWNOFSA-N	1	0	371.510	1.663	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCF)C1	ZINC001130991682	940414396	/nfs/dbraw/zinc/41/43/96/940414396.db2.gz	XIBTVIDVSOICLL-KONPQCLYSA-N	1	0	364.465	1.645	20	30		FDEDRO
Cc1oncc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1c1cncn1C	ZINC001130991577	940414641	/nfs/dbraw/zinc/41/46/41/940414641.db2.gz	SANRRKMJVAEWET-IAGOWNOFSA-N	1	0	355.442	1.460	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)CC1	ZINC000747404525	940415175	/nfs/dbraw/zinc/41/51/75/940415175.db2.gz	LTSYIQVBCDSCBD-UHFFFAOYSA-N	1	0	364.449	1.560	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccncc2)C[C@H]1c1cncn1C	ZINC001130994099	940416012	/nfs/dbraw/zinc/41/60/12/940416012.db2.gz	GMZRIJGKNPPYBI-WJFTUGDTSA-N	1	0	363.465	1.526	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn(C3CCC3)nn2)C[C@H]1c1cncn1C	ZINC001130995488	940419009	/nfs/dbraw/zinc/41/90/09/940419009.db2.gz	BOHHTSKCEDCWMT-HZPDHXFCSA-N	1	0	369.473	1.511	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCO)C1)OCC	ZINC001131003761	940430004	/nfs/dbraw/zinc/43/00/04/940430004.db2.gz	OGPWTMSLPDFIQV-NUJGCVRESA-N	1	0	364.490	1.058	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(F)(F)C2)C[C@H]1c1cncn1C	ZINC001131005936	940431981	/nfs/dbraw/zinc/43/19/81/940431981.db2.gz	CXALWIFPZIZTFB-RBSFLKMASA-N	1	0	350.413	1.763	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3nccn32)C[C@H]1c1cncn1C	ZINC001131007610	940433744	/nfs/dbraw/zinc/43/37/44/940433744.db2.gz	CEQCGCNWXCIYOB-BRWVUGGUSA-N	1	0	366.469	1.102	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]C[C@@H](C)OC)C2)CCC1	ZINC001131007733	940434135	/nfs/dbraw/zinc/43/41/35/940434135.db2.gz	IQRVSFCGFJLZMD-BRWVUGGUSA-N	1	0	358.486	1.533	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOCC)C1	ZINC001131007778	940434197	/nfs/dbraw/zinc/43/41/97/940434197.db2.gz	KXKHXEJTZNOCTJ-IAGOWNOFSA-N	1	0	371.485	1.642	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)C1CCCC1	ZINC000807662338	940437061	/nfs/dbraw/zinc/43/70/61/940437061.db2.gz	CCPMREKAUXQCSM-UHFFFAOYSA-N	1	0	368.481	1.819	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC(C)C)C1	ZINC001131010486	940441628	/nfs/dbraw/zinc/44/16/28/940441628.db2.gz	NKVBAQQJSCFRAZ-QRVBRYPASA-N	1	0	371.529	1.448	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1)[C@H]1CCCO1	ZINC000807684511	940455566	/nfs/dbraw/zinc/45/55/66/940455566.db2.gz	HBHXIGKWAZYQMI-OPQOLIRYSA-N	1	0	361.486	1.197	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2C[C@H]2C2CC2)C[C@H]1c1cncn1C	ZINC001131035612	940464918	/nfs/dbraw/zinc/46/49/18/940464918.db2.gz	JPGLYRMOOGCPEO-INDMIFKZSA-N	1	0	372.513	1.943	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c(C)nn(C)c2C)C[C@H]1c1cncn1C	ZINC001131039892	940467421	/nfs/dbraw/zinc/46/74/21/940467421.db2.gz	ADMRMAWDAWGNHJ-IAGOWNOFSA-N	1	0	370.501	1.934	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2cnn(C)c2)C[C@H]1c1cncn1C	ZINC001131041998	940471552	/nfs/dbraw/zinc/47/15/52/940471552.db2.gz	IRESEAYANBFMNW-CGTJXYLNSA-N	1	0	370.501	1.808	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1	ZINC000807807984	940478600	/nfs/dbraw/zinc/47/86/00/940478600.db2.gz	ANFPZDCBBUEYPI-UHFFFAOYSA-N	1	0	372.238	1.399	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)CC(F)(F)F)C[C@H]1c1cncn1C	ZINC001131061366	940479542	/nfs/dbraw/zinc/47/95/42/940479542.db2.gz	AFKPNKNZZFHKSM-BFHYXJOUSA-N	1	0	356.392	1.916	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]C/C=C\Cl)C2)c1	ZINC001131067917	940483101	/nfs/dbraw/zinc/48/31/01/940483101.db2.gz	AZLOXAVPXDSLPZ-OSNZYPHYSA-N	1	0	369.856	1.747	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2(CF)CC2)C[C@H]1c1cncn1C	ZINC001131067949	940483240	/nfs/dbraw/zinc/48/32/40/940483240.db2.gz	CSTUZGVTMQRNSS-HUUCEWRRSA-N	1	0	350.438	1.256	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ncn(C(C)(C)C)n2)C[C@H]1c1cncn1C	ZINC001131070314	940484506	/nfs/dbraw/zinc/48/45/06/940484506.db2.gz	OUDYEYCUYCBQSS-HUUCEWRRSA-N	1	0	371.489	1.541	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2[nH]c(C)nc2C)C[C@H]1c1cncn1C	ZINC001131072186	940485176	/nfs/dbraw/zinc/48/51/76/940485176.db2.gz	MJNMFUGSNAGZNC-HZPDHXFCSA-N	1	0	356.474	1.924	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C=C)C[C@H]1c1cncn1C	ZINC001131072253	940485243	/nfs/dbraw/zinc/48/52/43/940485243.db2.gz	PUKCVMVBMPQAKR-MTNOOBJLSA-N	1	0	374.485	1.098	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc3nonc3c2)C[C@H]1c1cncn1C	ZINC001131064301	940486449	/nfs/dbraw/zinc/48/64/49/940486449.db2.gz	FJXBJYMORNKRQA-RHSMWYFYSA-N	1	0	364.409	1.177	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2ccnc2)C[C@H]1c1cncn1C	ZINC001131079874	940487359	/nfs/dbraw/zinc/48/73/59/940487359.db2.gz	YVPDYJMOAQAXRH-GVDBMIGSSA-N	1	0	356.474	1.728	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@H]1c1cncn1C	ZINC001131076650	940491387	/nfs/dbraw/zinc/49/13/87/940491387.db2.gz	WFGDPSLCIVGZNN-CHWSQXEVSA-N	1	0	354.376	1.670	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2scnc2C2CC2)C[C@H]1c1cncn1C	ZINC001131086332	940493372	/nfs/dbraw/zinc/49/33/72/940493372.db2.gz	MPBGBDJIWOMGQE-HUUCEWRRSA-N	1	0	369.494	1.975	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCn2ccnc2C)C[C@H]1c1cncn1C	ZINC001131089735	940494991	/nfs/dbraw/zinc/49/49/91/940494991.db2.gz	XAEKTYWBKOOXSC-IAGOWNOFSA-N	1	0	356.474	1.475	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2ccco2)C[C@H]1c1cncn1C	ZINC001131089692	940495102	/nfs/dbraw/zinc/49/51/02/940495102.db2.gz	UQOBILGIJXKYJU-CGTJXYLNSA-N	1	0	354.454	1.799	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccn3ccnc23)C[C@H]1c1cncn1C	ZINC001131093764	940496555	/nfs/dbraw/zinc/49/65/55/940496555.db2.gz	IWMZZPKGOPZNLQ-IAGOWNOFSA-N	1	0	364.453	1.842	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn(CC)c2C)C[C@H]1c1cncn1C	ZINC001131094050	940496693	/nfs/dbraw/zinc/49/66/93/940496693.db2.gz	RNTMAQNOVHDZBT-IAGOWNOFSA-N	1	0	356.474	1.719	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCCOC2)C[C@H]1c1cncn1C	ZINC001131096334	940497152	/nfs/dbraw/zinc/49/71/52/940497152.db2.gz	DLOHAOHDJUMSDY-RCCFBDPRSA-N	1	0	358.486	1.534	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccccc2OC)C[C@H]1c1cncn1C	ZINC001131113155	940499369	/nfs/dbraw/zinc/49/93/69/940499369.db2.gz	VUHZJFREYVKPCZ-IAGOWNOFSA-N	1	0	352.438	1.650	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2coc(CCC)n2)C[C@H]1c1cncn1C	ZINC001131107905	940502539	/nfs/dbraw/zinc/50/25/39/940502539.db2.gz	FWTXMLCQXQHBHB-HUUCEWRRSA-N	1	0	355.442	1.582	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2Cl)C[C@H]1c1cncn1C	ZINC001131108170	940502754	/nfs/dbraw/zinc/50/27/54/940502754.db2.gz	LZHPFRILOSKBEO-TZMCWYRMSA-N	1	0	360.849	1.028	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(CC=C)CCOCC2)C[C@H]1c1cncn1C	ZINC001131115485	940503612	/nfs/dbraw/zinc/50/36/12/940503612.db2.gz	OXDWIBWWZZKRHO-QZTJIDSGSA-N	1	0	370.497	1.700	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccnc2OCC)C[C@H]1c1cncn1C	ZINC001131117481	940504232	/nfs/dbraw/zinc/50/42/32/940504232.db2.gz	ACWXICVTDXDFLM-IAGOWNOFSA-N	1	0	367.453	1.435	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(F)cc2)C[C@H]1c1cncn1C	ZINC001131117733	940504420	/nfs/dbraw/zinc/50/44/20/940504420.db2.gz	OXRFTPIPFQVSMD-QZTJIDSGSA-N	1	0	354.429	1.709	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](NC(C)=O)C(C)C)C[C@H]1c1cncn1C	ZINC001131115345	940508804	/nfs/dbraw/zinc/50/88/04/940508804.db2.gz	MBVAXXLMRMAJBI-JFIYKMOQSA-N	1	0	361.490	1.041	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnc(C3CC3)s2)C[C@H]1c1cncn1C	ZINC001131115337	940508933	/nfs/dbraw/zinc/50/89/33/940508933.db2.gz	LRSRWBVXWUDUMZ-HUUCEWRRSA-N	1	0	369.494	1.975	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CN(C)c2ccccc2)C[C@H]1c1cncn1C	ZINC001131132228	940512392	/nfs/dbraw/zinc/51/23/92/940512392.db2.gz	DRRYNISDJDXKOM-RTBURBONSA-N	1	0	365.481	1.464	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2O)CC1	ZINC000808143569	940522030	/nfs/dbraw/zinc/52/20/30/940522030.db2.gz	BCSZTUBYTGBHRL-KGLIPLIRSA-N	1	0	358.442	1.212	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2nccnc2N)C1	ZINC001086662051	940536070	/nfs/dbraw/zinc/53/60/70/940536070.db2.gz	WJRZOYCUXHHRLI-BLLLJJGKSA-N	1	0	368.416	1.758	20	30		FDEDRO
C#CCCS(=O)(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1	ZINC000808304747	940539438	/nfs/dbraw/zinc/53/94/38/940539438.db2.gz	QYXLFSJHMBCCQB-QZTJIDSGSA-N	1	0	355.548	1.609	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ccccn2)C1	ZINC001131297687	940544842	/nfs/dbraw/zinc/54/48/42/940544842.db2.gz	JCHHRBKAKFXDTO-JQHSSLGASA-N	1	0	370.453	1.767	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCCOC)C1	ZINC001131301002	940546795	/nfs/dbraw/zinc/54/67/95/940546795.db2.gz	IRCZMXIOYCRZBD-OAGGEKHMSA-N	1	0	351.447	1.095	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCC4CC4)C[C@H]32)C1	ZINC001131307241	940549035	/nfs/dbraw/zinc/54/90/35/940549035.db2.gz	MUYHPDCESJJKIK-KSZLIROESA-N	1	0	359.470	1.696	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CC4CC4)C[C@H]32)C1	ZINC001131307349	940549085	/nfs/dbraw/zinc/54/90/85/940549085.db2.gz	PSVQXXXXWATPNG-BBWFWOEESA-N	1	0	359.470	1.552	20	30		FDEDRO
C#CCCCCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CC(C)C)C[C@H]32)C1	ZINC001131310017	940549624	/nfs/dbraw/zinc/54/96/24/940549624.db2.gz	FGHDNPZPUFAONX-KSZLIROESA-N	1	0	361.486	1.942	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C2(CCF)CC2)C1	ZINC001131310335	940550231	/nfs/dbraw/zinc/55/02/31/940550231.db2.gz	OXYIKYANJCZUFJ-OAGGEKHMSA-N	1	0	365.449	1.808	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCCF)C1	ZINC001131313255	940552841	/nfs/dbraw/zinc/55/28/41/940552841.db2.gz	LXYYEIGNDBTKPC-XHSDSOJGSA-N	1	0	353.438	1.808	20	30		FDEDRO
CC#CCCCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CC4CC4)C[C@H]32)C1	ZINC001131313357	940552985	/nfs/dbraw/zinc/55/29/85/940552985.db2.gz	OZNCXWCGRUSOOV-KURKYZTESA-N	1	0	359.470	1.696	20	30		FDEDRO
C#CCN(C(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1)C1CCCC1	ZINC000808517699	940554333	/nfs/dbraw/zinc/55/43/33/940554333.db2.gz	KHEQSPCBIZJVCR-UHFFFAOYSA-N	1	0	363.502	1.396	20	30		FDEDRO
CC(C)n1ncnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1	ZINC001086668560	940563367	/nfs/dbraw/zinc/56/33/67/940563367.db2.gz	SQPYRANWRQRMRN-DZGCQCFKSA-N	1	0	355.446	1.747	20	30		FDEDRO
COc1ccc(O)c([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)c1	ZINC000808743921	940599899	/nfs/dbraw/zinc/59/98/99/940599899.db2.gz	RRFFFEWCNYXCDA-GFCCVEGCSA-N	1	0	361.423	1.792	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(=O)C(C)(C)C)CC1	ZINC001131451163	940604872	/nfs/dbraw/zinc/60/48/72/940604872.db2.gz	IJRVNUWLKSNLKK-SJORKVTESA-N	1	0	364.486	1.237	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NC(C)(C)C)CC1	ZINC001131454229	940608406	/nfs/dbraw/zinc/60/84/06/940608406.db2.gz	RINJTKHNBIPXBB-LXZKKBNFSA-N	1	0	364.490	1.046	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H]2CCOC2)CC1	ZINC001131458933	940613903	/nfs/dbraw/zinc/61/39/03/940613903.db2.gz	ZGPPOGYQRYKWKS-POAQFYNOSA-N	1	0	366.502	1.601	20	30		FDEDRO
C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cncs2)CC1	ZINC001131461614	940620031	/nfs/dbraw/zinc/62/00/31/940620031.db2.gz	RLWVYFXRCQPCNH-AEFFLSMTSA-N	1	0	365.499	1.831	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnnn2C)CC1	ZINC001131487753	940631105	/nfs/dbraw/zinc/63/11/05/940631105.db2.gz	DJOLIQDWMUDDIB-LESCRADOSA-N	1	0	361.490	1.769	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCC(=C)C)CC1	ZINC001131478565	940634264	/nfs/dbraw/zinc/63/42/64/940634264.db2.gz	DJIIZAWYADQBDR-XLIONFOSSA-N	1	0	361.486	1.078	20	30		FDEDRO
CC(C)C#CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCC[C@H](C)O)CC1	ZINC001131495869	940646999	/nfs/dbraw/zinc/64/69/99/940646999.db2.gz	IKJADTCQNGQJIO-HQRMLTQVSA-N	1	0	350.503	1.793	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2cccc(C)c2=O)CC1	ZINC001131496008	940647155	/nfs/dbraw/zinc/64/71/55/940647155.db2.gz	KNABQWNTGVVEIR-QUCCMNQESA-N	1	0	371.481	1.166	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H](C)CC)CC1	ZINC001131496414	940647933	/nfs/dbraw/zinc/64/79/33/940647933.db2.gz	ZNOOOJVOXXABHC-VPWXQRGCSA-N	1	0	365.518	1.711	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn3c(n2)CCCC3)CC1	ZINC001131510498	940659332	/nfs/dbraw/zinc/65/93/32/940659332.db2.gz	MBLZJSDNKNQRAA-XLIONFOSSA-N	1	0	370.497	1.842	20	30		FDEDRO
C=C(C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H]2CCN(C)C2=O)CC1	ZINC001131506867	940669506	/nfs/dbraw/zinc/66/95/06/940669506.db2.gz	SZHCRULAXQDIJY-LMMKCTJWSA-N	1	0	363.502	1.559	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2nc(CC)c[nH]2)CC1	ZINC001131515418	940680481	/nfs/dbraw/zinc/68/04/81/940680481.db2.gz	JHSKZLMOLQBIGP-XLIONFOSSA-N	1	0	358.486	1.524	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCn2ccnn2)CC1	ZINC001131515614	940680936	/nfs/dbraw/zinc/68/09/36/940680936.db2.gz	VCRJPQRKOXPDMN-MJGOQNOKSA-N	1	0	361.490	1.620	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(COC)CCOCC2)CC1	ZINC001131511995	940693685	/nfs/dbraw/zinc/69/36/85/940693685.db2.gz	HKQFZPIVXVFTGD-MSOLQXFVSA-N	1	0	364.486	1.049	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnc3n[nH]nc3c2)CC1	ZINC001131512339	940694657	/nfs/dbraw/zinc/69/46/57/940694657.db2.gz	YTSXPYMNMGHDJK-WBVHZDCISA-N	1	0	370.457	1.528	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccc3ncnn32)CC1	ZINC001131528275	940697889	/nfs/dbraw/zinc/69/78/89/940697889.db2.gz	PATVDZQVYORZLF-APWZRJJASA-N	1	0	369.469	1.905	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccn3ccnc3c2)CC1	ZINC001131528270	940698110	/nfs/dbraw/zinc/69/81/10/940698110.db2.gz	OZQMNDLVLVIBKV-QUCCMNQESA-N	1	0	366.465	1.957	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2cn(CC)nn2)CC1	ZINC001131533714	940704728	/nfs/dbraw/zinc/70/47/28/940704728.db2.gz	RXBZNTLCZJIVLO-MJGOQNOKSA-N	1	0	361.490	1.402	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(N(C)C)nc2)CC1	ZINC001131526161	940710810	/nfs/dbraw/zinc/71/08/10/940710810.db2.gz	BXTLOIWOVMGTJQ-QUCCMNQESA-N	1	0	370.497	1.770	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCCc2c[nH]nn2)CC1	ZINC001131535751	940725304	/nfs/dbraw/zinc/72/53/04/940725304.db2.gz	NCTSGPPNWUPHPX-MJGOQNOKSA-N	1	0	361.490	1.689	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](COC)OC)CC1	ZINC001131558399	940733424	/nfs/dbraw/zinc/73/34/24/940733424.db2.gz	ZBMGWBWAJSWACY-OAGGEKHMSA-N	1	0	360.882	1.386	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c[nH]c(=O)cc2C)CC1	ZINC001131562145	940735873	/nfs/dbraw/zinc/73/58/73/940735873.db2.gz	MCWMBLZXIIFJOJ-MJGOQNOKSA-N	1	0	357.454	1.718	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(C(N)=O)co2)CC1	ZINC001131562517	940736453	/nfs/dbraw/zinc/73/64/53/940736453.db2.gz	WONVWSUTERUWBC-WBVHZDCISA-N	1	0	359.426	1.001	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCC(=O)N2C)CC1	ZINC001131548285	940737588	/nfs/dbraw/zinc/73/75/88/940737588.db2.gz	QCBOQGJGBTWKMX-LMMKCTJWSA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)c2cncnc2)CC1	ZINC001131549828	940738393	/nfs/dbraw/zinc/73/83/93/940738393.db2.gz	AUBIZDJPIIGVNZ-IPELMVKDSA-N	1	0	356.470	1.589	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COC[C@H]2CCOC2)CC1	ZINC001131573347	940749287	/nfs/dbraw/zinc/74/92/87/940749287.db2.gz	XIQGETYDNGPMQK-HQRMLTQVSA-N	1	0	364.486	1.049	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](CC)C(N)=O)CC1	ZINC001131573074	940749348	/nfs/dbraw/zinc/74/93/48/940749348.db2.gz	SSGUDEHSMHPFDH-ZACQAIPSSA-N	1	0	365.518	1.838	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C(C)C)CC1	ZINC001131575129	940752015	/nfs/dbraw/zinc/75/20/15/940752015.db2.gz	PZQVENYYYVZWLM-QYZOEREBSA-N	1	0	365.518	1.851	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccnc(C3CC3)n2)CC1	ZINC001131575451	940752543	/nfs/dbraw/zinc/75/25/43/940752543.db2.gz	YOVPVUSFILPJGU-MJGOQNOKSA-N	1	0	368.481	1.977	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn3ccccc23)CC1	ZINC001131578017	940755054	/nfs/dbraw/zinc/75/50/54/940755054.db2.gz	KMTHFAINTZDFHM-QUCCMNQESA-N	1	0	366.465	1.957	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COc2cccnc2)CC1	ZINC001131578470	940756133	/nfs/dbraw/zinc/75/61/33/940756133.db2.gz	ZEOWTELJEBBRDA-QUCCMNQESA-N	1	0	357.454	1.469	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H](C)COC)CC1	ZINC001131588032	940757127	/nfs/dbraw/zinc/75/71/27/940757127.db2.gz	NFKKLYGPUIXIOD-HQRMLTQVSA-N	1	0	368.518	1.847	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(OC)nn2)CC1	ZINC001131590425	940759901	/nfs/dbraw/zinc/75/99/01/940759901.db2.gz	AGFNGZGQUCPAHE-QAPCUYQASA-N	1	0	358.442	1.108	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)CC1	ZINC001131597267	940781291	/nfs/dbraw/zinc/78/12/91/940781291.db2.gz	UEAYQQDQYPTUES-OWCLPIDISA-N	1	0	366.506	1.241	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2ccc(C)nc2)CC1	ZINC001131606844	940785626	/nfs/dbraw/zinc/78/56/26/940785626.db2.gz	INSFCCFZLSKYLY-CTNGQTDRSA-N	1	0	355.482	1.942	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)OCCOCC)CC1	ZINC001131607007	940786464	/nfs/dbraw/zinc/78/64/64/940786464.db2.gz	RYZOLOPSVJLHFE-UHOSZYNNSA-N	1	0	366.502	1.437	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCOCCOC)CC1	ZINC001131610156	940789327	/nfs/dbraw/zinc/78/93/27/940789327.db2.gz	CBWBTIPFABJYDM-MJGOQNOKSA-N	1	0	354.491	1.601	20	30		FDEDRO
C=CCCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOC(C)C)CC1	ZINC001131610295	940789916	/nfs/dbraw/zinc/78/99/16/940789916.db2.gz	JZWRANVBYDAOJW-QUCCMNQESA-N	1	0	368.518	1.990	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(CC)n(C)n2)CC1	ZINC001131615479	940794267	/nfs/dbraw/zinc/79/42/67/940794267.db2.gz	FUDAGCCNYFQWEF-MJGOQNOKSA-N	1	0	358.486	1.605	20	30		FDEDRO
CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NCc1ccc(OC)c(C#N)c1	ZINC000809501014	940844545	/nfs/dbraw/zinc/84/45/45/940844545.db2.gz	ANMYQBYLCARWLM-UHFFFAOYSA-N	1	0	372.469	1.517	20	30		FDEDRO
C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C)C(=O)N(C)CCC#N	ZINC000809562002	940856964	/nfs/dbraw/zinc/85/69/64/940856964.db2.gz	IBHCCFOZTGCBHK-KKUMJFAQSA-N	1	0	352.479	1.982	20	30		FDEDRO
C#CCCOc1ccc(C[NH+]2CCC(CNS(C)(=O)=O)CC2)cc1	ZINC000809693872	940879642	/nfs/dbraw/zinc/87/96/42/940879642.db2.gz	FRABJGXFVZQTDT-UHFFFAOYSA-N	1	0	350.484	1.850	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(C(=O)N3CCN(C)CC3)CC2)cc1	ZINC000809732345	940887490	/nfs/dbraw/zinc/88/74/90/940887490.db2.gz	BZZOLROYBZWECP-KRWDZBQOSA-N	1	0	370.497	1.963	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CCc2c(C)nc3ccccn3c2=O)CC1	ZINC000809937801	940924540	/nfs/dbraw/zinc/92/45/40/940924540.db2.gz	IKUJOJGVBVMHTC-UHFFFAOYSA-N	1	0	352.438	1.007	20	30		FDEDRO
CCn1cc(CC[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)cn1	ZINC001086676359	940933872	/nfs/dbraw/zinc/93/38/72/940933872.db2.gz	WUOOOXZBCYPAKS-GOEBONIOSA-N	1	0	354.458	1.834	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@@H]3CCc4ncnn43)C2)c[nH]1	ZINC001086676735	940949037	/nfs/dbraw/zinc/94/90/37/940949037.db2.gz	SEWQOVIUCBYGKA-BJJXKVORSA-N	1	0	353.430	1.153	20	30		FDEDRO
CN1CCOC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1	ZINC001086677493	940954978	/nfs/dbraw/zinc/95/49/78/940954978.db2.gz	YNKBCAUBKLGZAV-VBQJREDUSA-N	1	0	362.499	1.325	20	30		FDEDRO
CC(=O)N1CC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1	ZINC001086682440	941046701	/nfs/dbraw/zinc/04/67/01/941046701.db2.gz	QCCJWTKWKOLQSZ-PKOBYXMFSA-N	1	0	354.454	1.411	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cccc(N3C(=O)N[C@@H](C)C3=O)c2C)CC1	ZINC000811538395	941140122	/nfs/dbraw/zinc/14/01/22/941140122.db2.gz	UXNRPIMIUMAFTH-AWEZNQCLSA-N	1	0	368.437	1.723	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1	ZINC001086698881	941169420	/nfs/dbraw/zinc/16/94/20/941169420.db2.gz	FVQQICXZNUHNDT-AITUJVMLSA-N	1	0	373.497	1.741	20	30		FDEDRO
C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1C[C@@H](C)CC(=O)N1	ZINC001133396077	941250624	/nfs/dbraw/zinc/25/06/24/941250624.db2.gz	QBXZJXWDRSKNFZ-RHSMWYFYSA-N	1	0	361.873	1.806	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(=O)NCc2ccc(COCC)cc2)CC1	ZINC000747816572	941274245	/nfs/dbraw/zinc/27/42/45/941274245.db2.gz	JDQRABWGBNUVMX-UHFFFAOYSA-N	1	0	371.481	1.301	20	30		FDEDRO
CCN1C[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)CC1=O	ZINC001086710911	941360726	/nfs/dbraw/zinc/36/07/26/941360726.db2.gz	PGMKLULZSDIHTB-GBESFXJTSA-N	1	0	368.481	1.801	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)CC1	ZINC000747854730	941391147	/nfs/dbraw/zinc/39/11/47/941391147.db2.gz	PINUQVKFZUIOLV-UHFFFAOYSA-N	1	0	356.470	1.419	20	30		FDEDRO
N#Cc1ccc(CNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)nc1	ZINC000813707569	941455314	/nfs/dbraw/zinc/45/53/14/941455314.db2.gz	OBHFVZYQHBCHQZ-UHFFFAOYSA-N	1	0	350.426	1.177	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1c2ccccc2C[C@@H]1C	ZINC001134054482	941531090	/nfs/dbraw/zinc/53/10/90/941531090.db2.gz	KZITZOROZPCTSM-LESCRADOSA-N	1	0	357.454	1.261	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NCc1ccccc1C	ZINC001134062367	941541237	/nfs/dbraw/zinc/54/12/37/941541237.db2.gz	YKAXEZRMQXTNPF-NXHRZFHOSA-N	1	0	359.470	1.297	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1	ZINC001134080229	941549670	/nfs/dbraw/zinc/54/96/70/941549670.db2.gz	OERQLIOOBHNLEC-QXAKKESOSA-N	1	0	355.482	1.804	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=C)Br)C1	ZINC001086720547	941624627	/nfs/dbraw/zinc/62/46/27/941624627.db2.gz	BQBWOQCYHZVIOH-XHSDSOJGSA-N	1	0	368.319	1.867	20	30		FDEDRO
N#Cc1cccc([C@H](O)C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1	ZINC001170757054	941702033	/nfs/dbraw/zinc/70/20/33/941702033.db2.gz	RCWSOZDLWAIZON-UKRRQHHQSA-N	1	0	355.360	1.982	20	30		FDEDRO
N#Cc1cccc([C@H](O)C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1	ZINC001170757048	941702307	/nfs/dbraw/zinc/70/23/07/941702307.db2.gz	RCWSOZDLWAIZON-DZGCQCFKSA-N	1	0	355.360	1.982	20	30		FDEDRO
C[N@H+](CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)CC(C)(C)C#N	ZINC000814668899	941705278	/nfs/dbraw/zinc/70/52/78/941705278.db2.gz	ACJPNXWSVXSEIQ-UHFFFAOYSA-N	1	0	352.479	1.937	20	30		FDEDRO
CC(=NNC(=S)NCCC[NH+](C)C)c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000814845138	941730771	/nfs/dbraw/zinc/73/07/71/941730771.db2.gz	GSLWRSIDUWKYTD-UHFFFAOYSA-N	1	0	367.431	1.463	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(OC(F)F)c(F)c1	ZINC000815082332	941776947	/nfs/dbraw/zinc/77/69/47/941776947.db2.gz	LHNAFCGITCYQOL-UHFFFAOYSA-N	1	0	350.362	1.661	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1	ZINC000815082812	941777181	/nfs/dbraw/zinc/77/71/81/941777181.db2.gz	GOYDEBMXABAHGY-LBPRGKRZSA-N	1	0	357.501	1.179	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(F)ccc1Br	ZINC000815082300	941777889	/nfs/dbraw/zinc/77/78/89/941777889.db2.gz	JMXDLZUZWCZFNY-UHFFFAOYSA-N	1	0	363.252	1.822	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1cccc(C)c1Br	ZINC000815083259	941778260	/nfs/dbraw/zinc/77/82/60/941778260.db2.gz	UQVDGICEQKECGS-UHFFFAOYSA-N	1	0	359.289	1.991	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCO[C@H]1c1ccc(C)cc1	ZINC001135099453	941904219	/nfs/dbraw/zinc/90/42/19/941904219.db2.gz	UHHBIIYNUPTQAS-UHOSZYNNSA-N	1	0	371.481	1.306	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)N1CCCCCC1	ZINC001135145442	941929001	/nfs/dbraw/zinc/92/90/01/941929001.db2.gz	IMRAXYUHGXTYPP-IKGGRYGDSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@H](CC)C(=O)Nc1cc(C)on1	ZINC001135145194	941929202	/nfs/dbraw/zinc/92/92/02/941929202.db2.gz	BDMXETZWYJLLJN-LZWOXQAQSA-N	1	0	364.446	1.387	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCc1ccccc1C	ZINC001135145668	941929210	/nfs/dbraw/zinc/92/92/10/941929210.db2.gz	ORUXHKCETBDSJT-HKUYNNGSSA-N	1	0	359.470	1.298	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccc(C)cc1F	ZINC001135147508	941942276	/nfs/dbraw/zinc/94/22/76/941942276.db2.gz	JVVANPFZHHNOFM-KSSFIOAISA-N	1	0	363.433	1.760	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(-n2ccc(C)n2)cc1	ZINC000815861614	941996894	/nfs/dbraw/zinc/99/68/94/941996894.db2.gz	QRBUJGGBFCXCTN-UHFFFAOYSA-N	1	0	353.426	1.191	20	30		FDEDRO
C#CCn1cc(CNC(=O)c2ccc(N3CC[NH+](CC)CC3)cc2)cn1	ZINC000816370650	942175419	/nfs/dbraw/zinc/17/54/19/942175419.db2.gz	HMTXWPANDNUNSZ-UHFFFAOYSA-N	1	0	351.454	1.588	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(C(N)=O)o2)C1	ZINC001086752555	942283970	/nfs/dbraw/zinc/28/39/70/942283970.db2.gz	SHCCLKYXKODOGP-WDEREUQCSA-N	1	0	370.247	1.775	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](C)c2ncc(Br)cn2)CC1	ZINC000816749005	942331909	/nfs/dbraw/zinc/33/19/09/942331909.db2.gz	ARPVPICVTIIYEU-LLVKDONJSA-N	1	0	351.248	1.762	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC2(C)C)C1	ZINC001195367083	970889765	/nfs/dbraw/zinc/88/97/65/970889765.db2.gz	SDCCACBPCLJGOS-BRWVUGGUSA-N	1	0	365.518	1.399	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CCCOc2ccc(F)cc2)C[C@H]1O	ZINC001195333856	970902330	/nfs/dbraw/zinc/90/23/30/970902330.db2.gz	QBTSAJHMBZCQOT-IAGOWNOFSA-N	1	0	350.434	1.968	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCNC3=O)C2)ccc1F	ZINC001086776561	942473331	/nfs/dbraw/zinc/47/33/31/942473331.db2.gz	KTQINVSJTLHMCI-NUEKZKHPSA-N	1	0	358.417	1.208	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(=O)cn3)C2)s1	ZINC001086788190	942522128	/nfs/dbraw/zinc/52/21/28/942522128.db2.gz	DTSUKODZJRHWFE-NWDGAFQWSA-N	1	0	357.439	1.391	20	30		FDEDRO
Cn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)[nH]c1=O	ZINC001086794086	942533088	/nfs/dbraw/zinc/53/30/88/942533088.db2.gz	AXORKJZXAAWTMH-JKSUJKDBSA-N	1	0	353.426	1.686	20	30		FDEDRO
C#C[C@@H](NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)C1CCOCC1	ZINC000856109044	970915665	/nfs/dbraw/zinc/91/56/65/970915665.db2.gz	MXQHKSAIOWVHKR-HXUWFJFHSA-N	1	0	355.482	1.592	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)c1	ZINC000817153012	942590601	/nfs/dbraw/zinc/59/06/01/942590601.db2.gz	RKVBDXRYYANRLX-MRXNPFEDSA-N	1	0	355.463	1.765	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCc2ccc(CN3CCOCC3)cc2)CC1	ZINC000817183075	942615985	/nfs/dbraw/zinc/61/59/85/942615985.db2.gz	ROFGUCNIEVDURF-UHFFFAOYSA-N	1	0	356.466	1.907	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCc3cnn(C)c3)C2)c1	ZINC001086798326	942634523	/nfs/dbraw/zinc/63/45/23/942634523.db2.gz	IFSSQKGKDNAFMV-QFBILLFUSA-N	1	0	351.454	1.527	20	30		FDEDRO
N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CC[C@H](n2cncn2)C1	ZINC000776877901	970929460	/nfs/dbraw/zinc/92/94/60/970929460.db2.gz	KWLSQPXIXQZQMG-GJZGRUSLSA-N	1	0	359.393	1.762	20	30		FDEDRO
CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1nc2ccccc2nc1NC(=O)CC#N	ZINC001170868588	942781128	/nfs/dbraw/zinc/78/11/28/942781128.db2.gz	VDLSHNRGMCISQW-BXUZGUMPSA-N	1	0	368.397	1.045	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)NCCCC[NH+]2CCC(C)CC2)c1	ZINC000817466677	942801482	/nfs/dbraw/zinc/80/14/82/942801482.db2.gz	AURZVPZXNWZPSS-UHFFFAOYSA-N	1	0	355.482	1.912	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nc(C3CC3)nn2C)C1	ZINC001086807647	942830635	/nfs/dbraw/zinc/83/06/35/942830635.db2.gz	MIYBGEQPEILZDZ-SVGFKBNWSA-N	1	0	373.501	1.658	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3nnnn3CC2)C1	ZINC001086808135	942832668	/nfs/dbraw/zinc/83/26/68/942832668.db2.gz	QFOVBJCNKBMCNI-MELADBBJSA-N	1	0	352.870	1.253	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1	ZINC000817786274	942977085	/nfs/dbraw/zinc/97/70/85/942977085.db2.gz	VEWIFLCMZZPMGM-HZPDHXFCSA-N	1	0	351.491	1.951	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1	ZINC000817845968	943009429	/nfs/dbraw/zinc/00/94/29/943009429.db2.gz	KXXVOICEUUENSF-IBGZPJMESA-N	1	0	353.466	1.761	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1O	ZINC001195422785	970957877	/nfs/dbraw/zinc/95/78/77/970957877.db2.gz	LFINRPLDXMNJTC-WOJBJXKFSA-N	1	0	366.465	1.727	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)ccc1F	ZINC000818016161	943153299	/nfs/dbraw/zinc/15/32/99/943153299.db2.gz	DZHDSWPLFZACHB-QGZVFWFLSA-N	1	0	367.446	1.258	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000818612428	943300739	/nfs/dbraw/zinc/30/07/39/943300739.db2.gz	ZFHBNHLZOYTEHG-UHFFFAOYSA-N	1	0	358.442	1.883	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@]1(NC(=O)OCc2ccccc2)CCOC1	ZINC000818593417	943323654	/nfs/dbraw/zinc/32/36/54/943323654.db2.gz	YTFCKMONEWKBMG-FQEVSTJZSA-N	1	0	373.453	1.143	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1	ZINC000818606133	943329925	/nfs/dbraw/zinc/32/99/25/943329925.db2.gz	DWAROSRISYEWKQ-UHFFFAOYSA-N	1	0	356.253	1.795	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)CSc1nc(-c2cccc(OC)c2)no1	ZINC000818609023	943331727	/nfs/dbraw/zinc/33/17/27/943331727.db2.gz	GUPNPPCDUTVDOY-UHFFFAOYSA-N	1	0	374.466	1.909	20	30		FDEDRO
CN(C)S(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)cc1	ZINC000818960423	943343291	/nfs/dbraw/zinc/34/32/91/943343291.db2.gz	CQIJOVQIRRBUTD-SFHVURJKSA-N	1	0	359.451	1.632	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]CC(=O)Nc1ccc(Br)cc1C	ZINC000818942131	943353717	/nfs/dbraw/zinc/35/37/17/943353717.db2.gz	FYICYRSVCBZDFJ-UHFFFAOYSA-N	1	0	352.232	1.425	20	30		FDEDRO
COc1ccccc1[C@@H](NC[C@H](O)CN(C)CCC#N)c1nccn1C	ZINC000818946650	943356233	/nfs/dbraw/zinc/35/62/33/943356233.db2.gz	SJAXVXGDSBJZCQ-MAUKXSAKSA-N	1	0	357.458	1.314	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[N@H+](CCOc2cccc(CC)c2)C[C@H]1O	ZINC001195484156	970985577	/nfs/dbraw/zinc/98/55/77/970985577.db2.gz	QRXZTUKICXJNBX-WOJBJXKFSA-N	1	0	358.482	1.983	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncc(CC)o3)C2)nn1	ZINC001086823080	943384417	/nfs/dbraw/zinc/38/44/17/943384417.db2.gz	LKZNNDNZGJSYND-UONOGXRCSA-N	1	0	358.446	1.703	20	30		FDEDRO
O=C(NCC[NH2+]C[C@H](O)COc1cccc2[nH]ccc21)C1N=CC=CC1=O	ZINC000819049483	943394731	/nfs/dbraw/zinc/39/47/31/943394731.db2.gz	KZIXBXMMIZKADR-UNQMGURYSA-N	1	0	370.409	1.024	20	30		FDEDRO
C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)CC1(C)OCCO1	ZINC000819095238	943418335	/nfs/dbraw/zinc/41/83/35/943418335.db2.gz	CJQMXDPFWFUDKP-CYBMUJFWSA-N	1	0	353.444	1.106	20	30		FDEDRO
COc1ccc(CN2CC[C@@H]([NH2+]C[C@H](O)c3ccc(C#N)cc3)C2=O)cc1	ZINC000819077275	943431986	/nfs/dbraw/zinc/43/19/86/943431986.db2.gz	JZUHSVIQTTVRFG-UXHICEINSA-N	1	0	365.433	1.991	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCc3cnn(C)c3)C2)nn1	ZINC001086824950	943437734	/nfs/dbraw/zinc/43/77/34/943437734.db2.gz	IWKNKRVXKRZZDG-DOTOQJQBSA-N	1	0	371.489	1.319	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1	ZINC000819254840	943484561	/nfs/dbraw/zinc/48/45/61/943484561.db2.gz	YPCBNWBLRZABJK-OWCLPIDISA-N	1	0	354.495	1.618	20	30		FDEDRO
C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000819262534	943515526	/nfs/dbraw/zinc/51/55/26/943515526.db2.gz	NZFABOLLVJGZLE-LBPRGKRZSA-N	1	0	368.459	1.230	20	30		FDEDRO
C[C@H](C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)NC(=O)OC(C)(C)C	ZINC000819273233	943521487	/nfs/dbraw/zinc/52/14/87/943521487.db2.gz	CKTMZILYPYXRSX-CYBMUJFWSA-N	1	0	367.471	1.835	20	30		FDEDRO
C[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)NC(=O)OC(C)(C)C	ZINC000819273741	943522486	/nfs/dbraw/zinc/52/24/86/943522486.db2.gz	FYHDHYXKRHCJLY-GFCCVEGCSA-N	1	0	368.459	1.230	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C	ZINC000819326974	943527807	/nfs/dbraw/zinc/52/78/07/943527807.db2.gz	YJBVJGCDCNYBFC-KKUMJFAQSA-N	1	0	358.458	1.130	20	30		FDEDRO
C#CCN(C)CCC[NH2+]C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000819335302	943530872	/nfs/dbraw/zinc/53/08/72/943530872.db2.gz	VQAIBQIZAIIRRV-QGZVFWFLSA-N	1	0	353.507	1.539	20	30		FDEDRO
C=C[C@@H]1C[C@]1(Nc1ccc(C(=O)NC2CC[NH+](C)CC2)nn1)C(=O)OCC	ZINC001170925727	943547471	/nfs/dbraw/zinc/54/74/71/943547471.db2.gz	UQDAMFQITPWZTD-BFUOFWGJSA-N	1	0	373.457	1.220	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC1CC(C[NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC000961942472	1013055630	/nfs/dbraw/zinc/05/56/30/1013055630.db2.gz	KIEQDDYLARRTTP-QZXDYEHLSA-N	1	0	361.417	1.486	20	30		FDEDRO
C#C[C@H](NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c1ccc(Cl)cc1	ZINC000820552360	944095308	/nfs/dbraw/zinc/09/53/08/944095308.db2.gz	IJLQTUWQSOKHQX-INIZCTEOSA-N	1	0	364.877	1.676	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccnn2CC[NH+](C)C)c1	ZINC000820714428	944170555	/nfs/dbraw/zinc/17/05/55/944170555.db2.gz	AEHBCYMMUHYPSL-UHFFFAOYSA-N	1	0	374.466	1.494	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C(N)=O)c[nH]3)C2)s1	ZINC001086839302	944234916	/nfs/dbraw/zinc/23/49/16/944234916.db2.gz	WXZCLVVJMKBRNJ-WCQYABFASA-N	1	0	371.466	1.735	20	30		FDEDRO
CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)nn1	ZINC001086840520	944287037	/nfs/dbraw/zinc/28/70/37/944287037.db2.gz	IUBRGFIKRYAFHR-DLBZAZTESA-N	1	0	352.442	1.858	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O	ZINC001195567120	971076545	/nfs/dbraw/zinc/07/65/45/971076545.db2.gz	JNHBPCPPCQZMDJ-BFHYXJOUSA-N	1	0	352.397	1.719	20	30		FDEDRO
CON=C(C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1csc(N)n1	ZINC000821365940	944461266	/nfs/dbraw/zinc/46/12/66/944461266.db2.gz	PDTRVSTXGPMNFR-WFASDCNBSA-N	1	0	359.455	1.637	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2=CC[N@H+](C)CC2)s1	ZINC000821728899	944616248	/nfs/dbraw/zinc/61/62/48/944616248.db2.gz	NOBDKORVHPJCNJ-UHFFFAOYSA-N	1	0	369.512	1.133	20	30		FDEDRO
C#C[C@H](NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1)[C@H]1CCCO1	ZINC000822074384	944850713	/nfs/dbraw/zinc/85/07/13/944850713.db2.gz	XFRFBXGLYLLUAS-WMLDXEAASA-N	1	0	356.426	1.214	20	30		FDEDRO
COC(=O)c1ccc(C(=N)Nc2ccc(N3CC[NH2+][C@@H](C)C3)nn2)cc1	ZINC001170980777	944896843	/nfs/dbraw/zinc/89/68/43/944896843.db2.gz	AIOVRIVYPYWIJG-LBPRGKRZSA-N	1	0	354.414	1.098	20	30		FDEDRO
C#C[C@@H](NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)C1CCOCC1	ZINC000823163006	945544170	/nfs/dbraw/zinc/54/41/70/945544170.db2.gz	DTNLVOQOQDCOFL-ZZJWQFMZSA-N	1	0	363.502	1.698	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCC=CCC1)C2	ZINC001110106198	945634018	/nfs/dbraw/zinc/63/40/18/945634018.db2.gz	JOFYDFFRSDKFFW-IKGGRYGDSA-N	1	0	374.485	1.466	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2cc(F)cc(C#N)c2)C[C@@H]1[NH+]1CCCC1	ZINC000867125167	971170247	/nfs/dbraw/zinc/17/02/47/971170247.db2.gz	UERRKQUSBIBHMW-JKSUJKDBSA-N	1	0	369.487	1.898	20	30		FDEDRO
C=C[C@@H](CO)NC(=O)c1cccnc1N1CC[N@@H+](C)C[C@@H]1c1ccccc1	ZINC001195707450	971174396	/nfs/dbraw/zinc/17/43/96/971174396.db2.gz	BXCKENRVLIKQAY-PKOBYXMFSA-N	1	0	366.465	1.851	20	30		FDEDRO
C#CCCS(=O)(=O)N1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1	ZINC000856543787	971222821	/nfs/dbraw/zinc/22/28/21/971222821.db2.gz	WPMKMJMRAQYJFT-QGZVFWFLSA-N	1	0	351.472	1.340	20	30		FDEDRO
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC[C@](C#N)(c2ccccn2)C1	ZINC000824395394	946394034	/nfs/dbraw/zinc/39/40/34/946394034.db2.gz	HVGPQNWGNUAMNA-HXUWFJFHSA-N	1	0	356.470	1.824	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)Cc1noc(C)c1-c1nn[nH]n1)C(C)C	ZINC000823903552	946509261	/nfs/dbraw/zinc/50/92/61/946509261.db2.gz	CUBVUAUZKLPRFG-HNNXBMFYSA-N	1	0	373.461	1.520	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)C1	ZINC001573282497	946693786	/nfs/dbraw/zinc/69/37/86/946693786.db2.gz	JPAWOYFRUXLXNL-CQSZACIVSA-N	1	0	353.430	1.002	20	30		FDEDRO
C#CCCCCC(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC001573283477	946717432	/nfs/dbraw/zinc/71/74/32/946717432.db2.gz	ULZNKDQXVGERMK-UHFFFAOYSA-N	1	0	352.442	1.799	20	30		FDEDRO
C#CCN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CC[NH+](C/C=C/Cl)CC1	ZINC001573283511	946718172	/nfs/dbraw/zinc/71/81/72/946718172.db2.gz	SMLLAWINFXLMQJ-ZZXKWVIFSA-N	1	0	373.848	1.487	20	30		FDEDRO
C#CCN(C(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CC[NH+](CC2CCC2)CC1	ZINC001573283596	946720676	/nfs/dbraw/zinc/72/06/76/946720676.db2.gz	UEZFFDIULRPXJW-UHFFFAOYSA-N	1	0	367.457	1.535	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1C	ZINC001573283642	946723096	/nfs/dbraw/zinc/72/30/96/946723096.db2.gz	WHKOJJWBNWVZCH-CZUORRHYSA-N	1	0	367.457	1.705	20	30		FDEDRO
C=CCn1cc(CNC(=O)N(CCc2ccccc2)CC[NH+](C)C)nn1	ZINC000824731258	946731827	/nfs/dbraw/zinc/73/18/27/946731827.db2.gz	ISCOMDWMRQKENS-UHFFFAOYSA-N	1	0	356.474	1.780	20	30		FDEDRO
C#CCO[C@H](C)C(=O)NCC[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573286839	946821630	/nfs/dbraw/zinc/82/16/30/946821630.db2.gz	IWUGDGFWGGRJIW-QWHCGFSZSA-N	1	0	374.420	1.029	20	30		FDEDRO
C=CCOCC[N@@H+]1CCCN(C(=O)[C@@H]2CCO[C@H]2c2ccncc2)CC1	ZINC001195875632	971298655	/nfs/dbraw/zinc/29/86/55/971298655.db2.gz	KEIRFOBMCNBXOA-MOPGFXCFSA-N	1	0	359.470	1.896	20	30		FDEDRO
C=C(Br)C[NH2+][C@H](C)[C@@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573292213	946927842	/nfs/dbraw/zinc/92/78/42/946927842.db2.gz	PTKMRYFWOMFLLJ-RKDXNWHRSA-N	1	0	368.239	1.200	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN([C@H](C)C(=O)NCCC(C)C)C[C@H]2O)CC1	ZINC001195876265	971300093	/nfs/dbraw/zinc/30/00/93/971300093.db2.gz	JQXPXKRIIGJLAC-KBAYOESNSA-N	1	0	365.518	1.445	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573561687	946963895	/nfs/dbraw/zinc/96/38/95/946963895.db2.gz	MBXNCLBXAPFHHJ-DGCLKSJQSA-N	1	0	357.393	1.198	20	30		FDEDRO
C=C(C)CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1	ZINC001573294149	946979419	/nfs/dbraw/zinc/97/94/19/946979419.db2.gz	WLJJHHYEGPSEHY-GOSISDBHSA-N	1	0	371.445	1.078	20	30		FDEDRO
C[C@@H](COCC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1C)[NH+]1CCCC1	ZINC001090823059	946981777	/nfs/dbraw/zinc/98/17/77/946981777.db2.gz	QMGHIXSNYMCQHL-JTDSTZFVSA-N	1	0	371.485	1.395	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573564438	946992082	/nfs/dbraw/zinc/99/20/82/946992082.db2.gz	IRANRCMPJCOTBP-DGCLKSJQSA-N	1	0	357.393	1.104	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573564466	946994346	/nfs/dbraw/zinc/99/43/46/946994346.db2.gz	JALRKDSFEDKKHP-YPMHNXCESA-N	1	0	357.393	1.198	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C12CCC2	ZINC001573295303	947013585	/nfs/dbraw/zinc/01/35/85/947013585.db2.gz	OBXJDPOXMZHDOV-QWHCGFSZSA-N	1	0	361.837	1.578	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C12CCC2	ZINC001573295304	947014445	/nfs/dbraw/zinc/01/44/45/947014445.db2.gz	OBXJDPOXMZHDOV-STQMWFEESA-N	1	0	361.837	1.578	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC[C@@H]21	ZINC001573295503	947020908	/nfs/dbraw/zinc/02/09/08/947020908.db2.gz	QVMJTCSLLJJTKD-RISCZKNCSA-N	1	0	361.837	1.484	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F	ZINC001573566516	947026564	/nfs/dbraw/zinc/02/65/64/947026564.db2.gz	CRLJPOOGLURJQD-DOMZBBRYSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573566765	947032459	/nfs/dbraw/zinc/03/24/59/947032459.db2.gz	GTLHEZMVUPYLDN-ZIAGYGMSSA-N	1	0	353.430	1.355	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@H](C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573566967	947034588	/nfs/dbraw/zinc/03/45/88/947034588.db2.gz	INOCDWLXRSOWSG-GOEBONIOSA-N	1	0	367.457	1.697	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573567888	947059255	/nfs/dbraw/zinc/05/92/55/947059255.db2.gz	UMLGGJMJAQIPEW-AAEUAGOBSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)[C@H](C)C1	ZINC001573570201	947087292	/nfs/dbraw/zinc/08/72/92/947087292.db2.gz	LZVVNSGSQYPMRK-LALPHHSUSA-N	1	0	371.420	1.350	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1	ZINC001573572085	947109349	/nfs/dbraw/zinc/10/93/49/947109349.db2.gz	FAYHXIIKFYNOGN-BMIGLBTASA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@H](C#N)C(=O)NC1CC2(C1)CC([NH2+]Cc1ccccc1-c1nn[nH]n1)C2	ZINC001573572229	947111046	/nfs/dbraw/zinc/11/10/46/947111046.db2.gz	FXTOPDXVHKQQNP-IZVLDTAISA-N	1	0	365.441	1.543	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC1(C)CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1	ZINC001573574664	947133082	/nfs/dbraw/zinc/13/30/82/947133082.db2.gz	SMKWSTFEQJBUJY-LBPRGKRZSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C	ZINC001573576048	947147268	/nfs/dbraw/zinc/14/72/68/947147268.db2.gz	CYQOEXVAPVRWFE-BXUZGUMPSA-N	1	0	354.418	1.142	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC1([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCC1	ZINC001573577820	947174480	/nfs/dbraw/zinc/17/44/80/947174480.db2.gz	TUBGCTOVOGNHTB-LLVKDONJSA-N	1	0	357.393	1.294	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC1(C)CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC001573577927	947175392	/nfs/dbraw/zinc/17/53/92/947175392.db2.gz	VQOQKVSOIVUREP-CQSZACIVSA-N	1	0	367.457	1.745	20	30		FDEDRO
C[C@H](C#N)C(=O)NCCC1(C[NH2+]Cc2ccccc2-c2nn[nH]n2)CC1	ZINC001573582179	947186948	/nfs/dbraw/zinc/18/69/48/947186948.db2.gz	BSBLDDMGPVMURH-CYBMUJFWSA-N	1	0	353.430	1.402	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCCC1(C[NH2+]Cc2ccccc2-c2nn[nH]n2)CC1	ZINC001573582182	947187000	/nfs/dbraw/zinc/18/70/00/947187000.db2.gz	BSBLDDMGPVMURH-ZDUSSCGKSA-N	1	0	353.430	1.402	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573582701	947193091	/nfs/dbraw/zinc/19/30/91/947193091.db2.gz	GHSCXTSVCGHAAF-OLZOCXBDSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1	ZINC001573582854	947196668	/nfs/dbraw/zinc/19/66/68/947196668.db2.gz	HQBSIONPIVCZCB-LBPRGKRZSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573583128	947200900	/nfs/dbraw/zinc/20/09/00/947200900.db2.gz	JXEZEFZIIWYXCZ-ZIAGYGMSSA-N	1	0	353.430	1.355	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573584168	947214340	/nfs/dbraw/zinc/21/43/40/947214340.db2.gz	QUHNZTNYKMWIEF-TZMCWYRMSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573584803	947236340	/nfs/dbraw/zinc/23/63/40/947236340.db2.gz	FNCUUSUOEUKTPP-HFBAOOFYSA-N	1	0	371.420	1.682	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1C	ZINC001573584877	947238670	/nfs/dbraw/zinc/23/86/70/947238670.db2.gz	HBQNUNVNIMXUMR-UEKVPHQBSA-N	1	0	357.393	1.102	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccccc1-c1nn[nH]n1)C2	ZINC001573586819	947297514	/nfs/dbraw/zinc/29/75/14/947297514.db2.gz	UHQAKAATMNKWBG-WTANOLMUSA-N	1	0	365.441	1.497	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2NCc2nncs2)cc1	ZINC001090866754	947357528	/nfs/dbraw/zinc/35/75/28/947357528.db2.gz	ODCGHUVFEREERA-VBNZEHGJSA-N	1	0	371.466	1.791	20	30		FDEDRO
C=CCCC(=O)NC1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2OC)CC1	ZINC001573327514	947389014	/nfs/dbraw/zinc/38/90/14/947389014.db2.gz	HIPZCUKAJKRBSQ-UHFFFAOYSA-N	1	0	370.457	1.922	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573329387	947417725	/nfs/dbraw/zinc/41/77/25/947417725.db2.gz	ISOBSSIKOYTTMO-WBMJQRKESA-N	1	0	358.421	1.909	20	30		FDEDRO
C=CCC1(C(=O)N[C@H]2C[C@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)CCC1	ZINC001573329785	947424978	/nfs/dbraw/zinc/42/49/78/947424978.db2.gz	PHMMQMDGDNZRCN-HDJSIYSDSA-N	1	0	367.457	1.798	20	30		FDEDRO
C=CCCCC(=O)N1CCC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1	ZINC001573333639	947439134	/nfs/dbraw/zinc/43/91/34/947439134.db2.gz	CCRXDFQJWAJKDR-AWEZNQCLSA-N	1	0	355.446	1.751	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1	ZINC001573333819	947442009	/nfs/dbraw/zinc/44/20/09/947442009.db2.gz	GCQYLBHPVRJINB-FZKQIMNGSA-N	1	0	357.462	1.991	20	30		FDEDRO
O=C(NCC[NH2+]Cc1ccnn1CCc1ccccc1)C1N=CC=CC1=O	ZINC000856770716	971388852	/nfs/dbraw/zinc/38/88/52/971388852.db2.gz	KWBCJKVAHOTNAZ-VXPUYCOJSA-N	1	0	365.437	1.742	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1c1ccc(OC)cc1	ZINC001090875859	947551014	/nfs/dbraw/zinc/55/10/14/947551014.db2.gz	KAAVAYMQDVRBQM-JKSUJKDBSA-N	1	0	369.421	1.771	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1CC	ZINC001573348067	947578893	/nfs/dbraw/zinc/57/88/93/947578893.db2.gz	MDLCYQGUSZLWIT-DZGCQCFKSA-N	1	0	373.461	1.228	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1c1ccc(OC)cc1	ZINC001090880660	947594080	/nfs/dbraw/zinc/59/40/80/947594080.db2.gz	DMOSQKMWCKRQAI-YDZRNGNQSA-N	1	0	371.481	1.490	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@H]1c1ccc(OC)cc1	ZINC001090878546	947615399	/nfs/dbraw/zinc/61/53/99/947615399.db2.gz	SUACITHODYIFQD-OTWHNJEPSA-N	1	0	371.481	1.776	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)NC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC	ZINC000844107469	947758653	/nfs/dbraw/zinc/75/86/53/947758653.db2.gz	RLKQNRQIVINWLG-AWEZNQCLSA-N	1	0	371.403	1.844	20	30		FDEDRO
CCOc1ccc(-c2nc(CC(=O)N[C@@H]3C[NH2+]C[C@@H]3C#N)cs2)cc1	ZINC000844195518	947865610	/nfs/dbraw/zinc/86/56/10/947865610.db2.gz	VUSGWVADXUZFRX-XJKSGUPXSA-N	1	0	356.451	1.979	20	30		FDEDRO
Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N[C@@H]3C[NH2+]C[C@@H]3C#N)c12	ZINC000844195505	947865922	/nfs/dbraw/zinc/86/59/22/947865922.db2.gz	VIHCKHGHDIMALO-SMDDNHRTSA-N	1	0	366.450	1.847	20	30		FDEDRO
CO[C@@H]1CN(c2nc(C)ccc2C#N)C[C@H]1NC(=O)CCCC[NH+](C)C	ZINC001090903355	947870332	/nfs/dbraw/zinc/87/03/32/947870332.db2.gz	UVNXVCZEMJOMME-IAGOWNOFSA-N	1	0	359.474	1.313	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCN2CCCC2=O)C3)c1	ZINC001110110762	948134692	/nfs/dbraw/zinc/13/46/92/948134692.db2.gz	JGLRRERDNBMOCT-QYZOEREBSA-N	1	0	366.465	1.792	20	30		FDEDRO
CC(C)CN1C[C@H]2CC[N@H+](Cc3ccc(C#N)cn3)CC[C@H]2S1(=O)=O	ZINC001144157430	948299603	/nfs/dbraw/zinc/29/96/03/948299603.db2.gz	HUFYENLTSOVRGO-SJLPKXTDSA-N	1	0	362.499	1.835	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1Nc1ccnc(C#N)n1	ZINC001091014453	948443743	/nfs/dbraw/zinc/44/37/43/948443743.db2.gz	NHVRCDHJPQCXPV-NVXWUHKLSA-N	1	0	370.501	1.684	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)CC1	ZINC000844947904	948565921	/nfs/dbraw/zinc/56/59/21/948565921.db2.gz	DDKJDYQLWVMRNE-IBGZPJMESA-N	1	0	374.485	1.734	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1CCO[C@@H]2CN(c3nc(C)ccc3C#N)C[C@@H]21	ZINC001091049230	948649427	/nfs/dbraw/zinc/64/94/27/948649427.db2.gz	JTVQFYDMAJTZNH-DLBZAZTESA-N	1	0	357.458	1.020	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(CN3CCCC3)on2)C1	ZINC001196185508	971498034	/nfs/dbraw/zinc/49/80/34/971498034.db2.gz	WZRJBRQZCDIIKH-ZTFGCOKTSA-N	1	0	362.474	1.400	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NOC[C@H]3CCOC3)CC2)c1	ZINC000845142455	948727758	/nfs/dbraw/zinc/72/77/58/948727758.db2.gz	NZVOQPWVFYXQKW-KRWDZBQOSA-N	1	0	358.442	1.790	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)Cc2ccccc2F)C1	ZINC001196160293	971513462	/nfs/dbraw/zinc/51/34/62/971513462.db2.gz	FVWBMGBUEDFZBZ-ZTFGCOKTSA-N	1	0	350.434	1.368	20	30		FDEDRO
CC(=O)N[C@@H](CS)C(=O)N(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1	ZINC001144426934	949238637	/nfs/dbraw/zinc/23/86/37/949238637.db2.gz	MJAAUYQFMKHRFB-JYJNAYRXSA-N	1	0	350.488	1.115	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573793112	949287209	/nfs/dbraw/zinc/28/72/09/949287209.db2.gz	LHWBASHBEMDJQD-CQSZACIVSA-N	1	0	370.432	1.746	20	30		FDEDRO
Cc1nc(N2C[C@@H](NC(=O)CCCC[NH+]3CCCC3)[C@@H](O)C2)ccc1C#N	ZINC001091119466	949368226	/nfs/dbraw/zinc/36/82/26/949368226.db2.gz	GHYYCEXNPAIBBJ-MSOLQXFVSA-N	1	0	371.485	1.194	20	30		FDEDRO
N#Cc1ccccc1CN1C(=O)CN(C[N@H+](C[C@H]2CCOC2)C2CC2)C1=O	ZINC000102390255	971589838	/nfs/dbraw/zinc/58/98/38/971589838.db2.gz	RMYRCMYSBKOIOJ-OAHLLOKOSA-N	1	0	368.437	1.781	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)OC[C@H]2CC[N@H+]2C(C)(C)C)c1	ZINC000845732623	949865152	/nfs/dbraw/zinc/86/51/52/949865152.db2.gz	GXQMJQHWCPKBLU-OAHLLOKOSA-N	1	0	364.467	1.628	20	30		FDEDRO
N#Cc1sccc1S(=O)(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000845859691	950024498	/nfs/dbraw/zinc/02/44/98/950024498.db2.gz	SQQWSWIDQBWQKV-CYBMUJFWSA-N	1	0	355.485	1.541	20	30		FDEDRO
CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)[C@@H](C)C#N	ZINC001574151103	950056399	/nfs/dbraw/zinc/05/63/99/950056399.db2.gz	KYAIGELIQNOAHQ-WFASDCNBSA-N	1	0	373.436	1.786	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCSC[C@H]1C#N	ZINC000845916291	950085783	/nfs/dbraw/zinc/08/57/83/950085783.db2.gz	WXIHKNCHCHJONH-CHWSQXEVSA-N	1	0	356.492	1.299	20	30		FDEDRO
C[C@@H](CN(C)C(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001574739384	950189952	/nfs/dbraw/zinc/18/99/52/950189952.db2.gz	OMICFHPIODKSLR-LBPRGKRZSA-N	1	0	364.413	1.317	20	30		FDEDRO
Cc1cc(N(C)C[C@H]2CCCN2C(=O)[C@H](C)C#N)c(-c2nn[nH]n2)c[nH+]1	ZINC001570967502	950210041	/nfs/dbraw/zinc/21/00/41/950210041.db2.gz	IQAUSCAEEDMBJD-DGCLKSJQSA-N	1	0	354.418	1.157	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@](C)(C#N)C1	ZINC000845936878	950213852	/nfs/dbraw/zinc/21/38/52/950213852.db2.gz	JBLOQHOXMQFPKR-KDOFPFPSSA-N	1	0	352.479	1.984	20	30		FDEDRO
C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCS(=O)(=O)NC	ZINC000857217444	971653570	/nfs/dbraw/zinc/65/35/70/971653570.db2.gz	BPBMNAUMXLDPRI-UHFFFAOYSA-N	1	0	373.548	1.134	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCC[N@@H+](C)CC(C)C	ZINC000846014273	950334116	/nfs/dbraw/zinc/33/41/16/950334116.db2.gz	FBZCYZNJABZEEV-UHFFFAOYSA-N	1	0	363.433	1.870	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C	ZINC000846059526	950369150	/nfs/dbraw/zinc/36/91/50/950369150.db2.gz	FHKJEAADGNAEQD-XHSDSOJGSA-N	1	0	369.506	1.929	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1	ZINC000857233917	971662959	/nfs/dbraw/zinc/66/29/59/971662959.db2.gz	KUPIRFRNGGZQBL-LBPRGKRZSA-N	1	0	353.435	1.141	20	30		FDEDRO
C[C@@H](CC#N)N(C)CN1C(=O)NC2(CC[NH+](Cc3ccccc3)CC2)C1=O	ZINC000857232124	971661981	/nfs/dbraw/zinc/66/19/81/971661981.db2.gz	MPOZNHSKUFWUSQ-INIZCTEOSA-N	1	0	369.469	1.764	20	30		FDEDRO
C[C@H](CNC(=O)c1cc(C#N)c[nH]1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F	ZINC001574997721	950547771	/nfs/dbraw/zinc/54/77/71/950547771.db2.gz	XFEWCCZCIMQSJE-SNVBAGLBSA-N	1	0	368.376	1.114	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CNC(C)=O)s2)C1	ZINC001196428838	971692418	/nfs/dbraw/zinc/69/24/18/971692418.db2.gz	BQOMKLYKVSFHFM-HUUCEWRRSA-N	1	0	351.472	1.125	20	30		FDEDRO
C[C@@H]1CN(c2cc(F)cc(NC(=O)N[C@H]3C[NH2+]C[C@@H]3C#N)c2)C[C@H](C)O1	ZINC000846311871	950906971	/nfs/dbraw/zinc/90/69/71/950906971.db2.gz	CPOOADDFWDAFCS-LKQDWFRTSA-N	1	0	361.421	1.672	20	30		FDEDRO
N#Cc1nccnc1N1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21	ZINC001091213503	950943540	/nfs/dbraw/zinc/94/35/40/950943540.db2.gz	JZWNYOJYOJHGGC-WMZOPIPTSA-N	1	0	368.485	1.651	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1	ZINC000846663818	951430704	/nfs/dbraw/zinc/43/07/04/951430704.db2.gz	PCDKUQCIFCPRPQ-QGZVFWFLSA-N	1	0	368.437	1.828	20	30		FDEDRO
CNC(=O)c1cc(C#N)cc(C)c1NC(=O)[C@H]([NH3+])Cc1cccc(OC)c1	ZINC001144941338	951572634	/nfs/dbraw/zinc/57/26/34/951572634.db2.gz	JFXDUEOEZAHDMI-QGZVFWFLSA-N	1	0	366.421	1.743	20	30		FDEDRO
C#CCCN1CC[NH+](C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000846836715	951641501	/nfs/dbraw/zinc/64/15/01/951641501.db2.gz	HZLLBZZUGLQUFQ-LJQANCHMSA-N	1	0	351.491	1.389	20	30		FDEDRO
C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C#CC1CC1	ZINC001575079527	951694592	/nfs/dbraw/zinc/69/45/92/951694592.db2.gz	QLNOSIYVGSHQFN-LBPRGKRZSA-N	1	0	356.405	1.356	20	30		FDEDRO
C#C[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)C1	ZINC000847021870	951774521	/nfs/dbraw/zinc/77/45/21/951774521.db2.gz	CGOOWWOQRRMJLK-GOSISDBHSA-N	1	0	369.513	1.902	20	30		FDEDRO
C[C@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001575101195	951855604	/nfs/dbraw/zinc/85/56/04/951855604.db2.gz	ATMADLYKKCIHMH-SNVBAGLBSA-N	1	0	370.442	1.378	20	30		FDEDRO
C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[NH2+]CCO	ZINC001146419737	952054454	/nfs/dbraw/zinc/05/44/54/952054454.db2.gz	NYTDZDMXJQFJCS-HNNXBMFYSA-N	1	0	357.495	1.714	20	30		FDEDRO
CCc1nc(C#N)cc(N[C@@H]2CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C2)n1	ZINC001091591221	952173398	/nfs/dbraw/zinc/17/33/98/952173398.db2.gz	CMLGABHBBIVCGX-SQWLQELKSA-N	1	0	358.490	1.948	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3COC(=O)N3)C[C@H]1C[N@H+](CC#Cc1ccc(F)cc1)C2	ZINC001091641443	952447931	/nfs/dbraw/zinc/44/79/31/952447931.db2.gz	RIGRLDHAWLDBSO-MDYRTPRTSA-N	1	0	371.412	1.066	20	30		FDEDRO
Cn1nncc1C(=O)N1C[C@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@]2(C)C1	ZINC001091639020	952450176	/nfs/dbraw/zinc/45/01/76/952450176.db2.gz	BYIBWVQUMCEOAY-BEFAXECRSA-N	1	0	368.416	1.420	20	30		FDEDRO
Cn1nncc1C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@]2(C)C1	ZINC001091639823	952452008	/nfs/dbraw/zinc/45/20/08/952452008.db2.gz	LFPHZPZEYJBNCL-PXAZEXFGSA-N	1	0	356.455	1.342	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)NC[C@H]2CC[C@@H](Nc3ccnc(C#N)n3)C2)C1	ZINC001091639926	952452580	/nfs/dbraw/zinc/45/25/80/952452580.db2.gz	WMZNWOIMXFUZKB-LSDHHAIUSA-N	1	0	356.474	1.199	20	30		FDEDRO
C[C@]12CN(C(=O)CO[C@@H]3CCOC3)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001091666780	952552076	/nfs/dbraw/zinc/55/20/76/952552076.db2.gz	FTXRJNFVBDIPPV-SJBKTWHCSA-N	1	0	368.477	1.624	20	30		FDEDRO
COc1cccc(NC(=O)C[C@@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)c1	ZINC000772985339	952578097	/nfs/dbraw/zinc/57/80/97/952578097.db2.gz	QWPGIMPBWJAZAQ-NIVDNSEKSA-N	1	0	372.425	1.528	20	30		FDEDRO
COC(=O)n1ncc(C#N)c1NC(=O)c1ccc(CC[NH+]2CCCC2)nc1	ZINC001147976217	952581862	/nfs/dbraw/zinc/58/18/62/952581862.db2.gz	PUONHRAHTGYJSZ-UHFFFAOYSA-N	1	0	368.397	1.655	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1COCCN1C(C)=O)C2	ZINC001110121315	952667656	/nfs/dbraw/zinc/66/76/56/952667656.db2.gz	TURYELLEZCKSDT-YDZRNGNQSA-N	1	0	365.518	1.926	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)C(=O)N(CC)CC)C2	ZINC001148310372	952679702	/nfs/dbraw/zinc/67/97/02/952679702.db2.gz	FIDHXWJYUMQYMP-BBWFWOEESA-N	1	0	363.502	1.369	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(C(CC)CC)C3)C[C@]2(C)C1	ZINC001091709164	952696734	/nfs/dbraw/zinc/69/67/34/952696734.db2.gz	FFFFGIUHOBYBPG-LZJOCLMNSA-N	1	0	359.514	1.827	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CNC(=O)c4ccccc43)C[C@]2(C)C1	ZINC001091746449	952786574	/nfs/dbraw/zinc/78/65/74/952786574.db2.gz	ORCJYLNQFPHDKI-YWMUFLPLSA-N	1	0	353.466	1.870	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@]3(C4CCCC4)CCNC3=O)C[C@]2(C)C1	ZINC001091751276	952800054	/nfs/dbraw/zinc/80/00/54/952800054.db2.gz	ZJCOAYPCDOUQED-QMMLZNLJSA-N	1	0	357.498	1.487	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3CCCNC3=O)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001091760590	952840113	/nfs/dbraw/zinc/84/01/13/952840113.db2.gz	ZDIBRAWPALBANL-LQWHRVPQSA-N	1	0	366.465	1.365	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(OC)nn3)C2)cn1	ZINC001086857748	952876096	/nfs/dbraw/zinc/87/60/96/952876096.db2.gz	TZZCLPSZMQSFKS-WMLDXEAASA-N	1	0	365.437	1.550	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2nonc2C)C1	ZINC001086888894	952943622	/nfs/dbraw/zinc/94/36/22/952943622.db2.gz	UHKWWFSGSAUPST-GOEBONIOSA-N	1	0	369.425	1.947	20	30		FDEDRO
COCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001086959361	952955981	/nfs/dbraw/zinc/95/59/81/952955981.db2.gz	ANDVMVIVMUIIOO-ZWKOTPCHSA-N	1	0	353.426	1.022	20	30		FDEDRO
Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2c2cnn(C)c2)s1	ZINC001086970613	952972042	/nfs/dbraw/zinc/97/20/42/952972042.db2.gz	AIONNXGIPGSVGF-KNXALSJPSA-N	1	0	358.471	1.429	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1cnn(C)c1)c1cnccn1	ZINC001086978410	952990544	/nfs/dbraw/zinc/99/05/44/952990544.db2.gz	VJTOGQXDSFPGCC-UCLAIMLFSA-N	1	0	364.453	1.269	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1c1cnn(C)c1	ZINC001086982454	952995332	/nfs/dbraw/zinc/99/53/32/952995332.db2.gz	KLVQRAAKOCPLRK-GVDBMIGSSA-N	1	0	365.909	1.397	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cn2cc(C3CC3)cn2)C[C@H]1c1cnn(C)c1	ZINC001086984848	953000050	/nfs/dbraw/zinc/00/00/50/953000050.db2.gz	HQPUHXDTBOWAPQ-ZWKOTPCHSA-N	1	0	354.458	1.264	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3cncn3C2)C[C@H]1c1cnn(C)c1	ZINC001086985011	953000421	/nfs/dbraw/zinc/00/04/21/953000421.db2.gz	PCURGHFSUUPGEV-AYOQOUSVSA-N	1	0	368.485	1.339	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3nnc(C)n3c2)C[C@H]1c1cnn(C)c1	ZINC001086985462	953002299	/nfs/dbraw/zinc/00/22/99/953002299.db2.gz	LOAIKXLCJWVRPQ-DLBZAZTESA-N	1	0	365.441	1.155	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2CCC)C[C@H]1c1cnn(C)c1	ZINC001086985732	953003935	/nfs/dbraw/zinc/00/39/35/953003935.db2.gz	ABZSTVHRUWRTAU-ZWKOTPCHSA-N	1	0	370.501	1.880	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2ccc(F)cc2)C[C@H]1c1cnn(C)c1	ZINC001086986517	953006919	/nfs/dbraw/zinc/00/69/19/953006919.db2.gz	TUZZANGIZXAXFD-RBUKOAKNSA-N	1	0	354.429	1.709	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCn2nc(C)cc2C)C[C@H]1c1cnn(C)c1	ZINC001086989682	953015050	/nfs/dbraw/zinc/01/50/50/953015050.db2.gz	NRGUNFYWPKRBBR-RBUKOAKNSA-N	1	0	370.501	1.784	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnc3c(c2)ncn3C)C[C@H]1c1cnn(C)c1	ZINC001086990975	953019226	/nfs/dbraw/zinc/01/92/26/953019226.db2.gz	CTQPSJOENJTRLA-DOTOQJQBSA-N	1	0	365.441	1.086	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccn(C(C)C)c2C)C[C@H]1c1cnn(C)c1	ZINC001086992507	953024122	/nfs/dbraw/zinc/02/41/22/953024122.db2.gz	BLDMECFIUYYWGJ-RBUKOAKNSA-N	1	0	353.470	1.942	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2[C@H]2CCCO2)C[C@H]1c1cnn(C)c1	ZINC001086992937	953025201	/nfs/dbraw/zinc/02/52/01/953025201.db2.gz	YHWFNOYQSZUVSI-GVDBMIGSSA-N	1	0	370.457	1.379	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(Cl)cnn2CC)C[C@H]1c1cnn(C)c1	ZINC001086980690	953030634	/nfs/dbraw/zinc/03/06/34/953030634.db2.gz	PQSOQEXVLYDJOX-DZGCQCFKSA-N	1	0	360.849	1.121	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)c2C)C[C@H]1c1cnn(C)c1	ZINC001086981134	953032087	/nfs/dbraw/zinc/03/20/87/953032087.db2.gz	QPRVUSSYAOJGSS-ZWKOTPCHSA-N	1	0	356.474	1.165	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2cnn(C)c2C)C[C@H]1c1cnn(C)c1	ZINC001086981959	953034479	/nfs/dbraw/zinc/03/44/79/953034479.db2.gz	MOAGXJUDLVAVIG-ZWKOTPCHSA-N	1	0	356.474	1.165	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2nccn3ccnc23)C[C@H]1c1cnn(C)c1	ZINC001086997767	953040812	/nfs/dbraw/zinc/04/08/12/953040812.db2.gz	YJHGYRMCKQCCCM-JKSUJKDBSA-N	1	0	365.441	1.237	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCc2cn(C)nc2C)C[C@H]1c1cnn(C)c1	ZINC001087000100	953049690	/nfs/dbraw/zinc/04/96/90/953049690.db2.gz	GMMPYWWZYQOVIW-ZWKOTPCHSA-N	1	0	356.474	1.165	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OCC)c(C)c2)C[C@H]1c1cnn(C)c1	ZINC001087000335	953050129	/nfs/dbraw/zinc/05/01/29/953050129.db2.gz	QSROFDOAFJSQJU-RBUKOAKNSA-N	1	0	366.465	1.958	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c(C)noc2C)C[C@H]1c1cnn(C)c1	ZINC001087000740	953052147	/nfs/dbraw/zinc/05/21/47/953052147.db2.gz	MFYPCFNQYDJLFC-ZNZDAUKMSA-N	1	0	371.485	1.974	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2c(C)n[nH]c2C)C[C@H]1c1cnn(C)c1	ZINC001087002261	953057403	/nfs/dbraw/zinc/05/74/03/953057403.db2.gz	QAIOLQGZJIQWQO-OAUYIBNBSA-N	1	0	354.458	1.081	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cc(C)oc2C)C[C@H]1c1cnn(C)c1	ZINC001087002258	953057619	/nfs/dbraw/zinc/05/76/19/953057619.db2.gz	PXYACSBBHPKRNV-ZOCIIQOWSA-N	1	0	354.454	1.951	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cnc(C)nc2C)C[C@H]1c1cnn(C)c1	ZINC001087002594	953057932	/nfs/dbraw/zinc/05/79/32/953057932.db2.gz	FNHVLGALUXIKKY-ZWKOTPCHSA-N	1	0	354.458	1.601	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2coc3ccccc23)C[C@H]1c1cnn(C)c1	ZINC001087003996	953060925	/nfs/dbraw/zinc/06/09/25/953060925.db2.gz	ZUVXBEKQMYXPKA-RBUKOAKNSA-N	1	0	362.433	1.926	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2nnn(C(C)C)c2C)C[C@H]1c1cnn(C)c1	ZINC001087003966	953060965	/nfs/dbraw/zinc/06/09/65/953060965.db2.gz	YKXBOBVKWORWQL-DLBZAZTESA-N	1	0	371.489	1.675	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2nc3ccccn3c2F)C[C@H]1c1cnn(C)c1	ZINC001087004784	953063135	/nfs/dbraw/zinc/06/31/35/953063135.db2.gz	VDBPCMMMTJOSAD-LSDHHAIUSA-N	1	0	368.416	1.591	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cnn(CC3CC3)c2)C[C@H]1c1cnn(C)c1	ZINC001087005260	953064380	/nfs/dbraw/zinc/06/43/80/953064380.db2.gz	UBRLUGQGSOMYEM-RBUKOAKNSA-N	1	0	368.485	1.801	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2cccc(COC)c2)C[C@H]1c1cnn(C)c1	ZINC001087005586	953064868	/nfs/dbraw/zinc/06/48/68/953064868.db2.gz	KLZUWERYKRGFAM-VQTJNVASSA-N	1	0	368.481	1.879	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C2CC3(C2)CCOCC3)C[C@H]1c1cnn(C)c1	ZINC001087005653	953065353	/nfs/dbraw/zinc/06/53/53/953065353.db2.gz	NFIWAWSVIOUXHC-ZWKOTPCHSA-N	1	0	356.470	1.144	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2Cl)C[C@H]1c1cnn(C)c1	ZINC001087005841	953065887	/nfs/dbraw/zinc/06/58/87/953065887.db2.gz	WGIMZXLCQMMEDA-DZGCQCFKSA-N	1	0	362.865	1.581	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3ccccc3n2)C[C@H]1c1cnn(C)c1	ZINC001087006985	953091833	/nfs/dbraw/zinc/09/18/33/953091833.db2.gz	FKXVXLQNLOXLLV-FXAWDEMLSA-N	1	0	359.433	1.799	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3ncsc3c2)C[C@H]1c1cnn(C)c1	ZINC001087008077	953094859	/nfs/dbraw/zinc/09/48/59/953094859.db2.gz	MAWITBZJXMGMAP-DOTOQJQBSA-N	1	0	365.462	1.861	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c(C)nn3cccnc23)C[C@H]1c1cnn(C)c1	ZINC001087009335	953097967	/nfs/dbraw/zinc/09/79/67/953097967.db2.gz	ADSTWJNSVXIVAS-JKSUJKDBSA-N	1	0	365.441	1.155	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2cccc(F)c2)C[C@H]1c1cnn(C)c1	ZINC001087011666	953104385	/nfs/dbraw/zinc/10/43/85/953104385.db2.gz	JGOPERUGYSJMJW-RYGJVYDSSA-N	1	0	368.456	1.955	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C(CC)CC)C[C@H]2OCC)C1=O	ZINC001087027994	953116047	/nfs/dbraw/zinc/11/60/47/953116047.db2.gz	QNSLQGWRKRSBDU-KZNAEPCWSA-N	1	0	365.518	1.663	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087032859	953132409	/nfs/dbraw/zinc/13/24/09/953132409.db2.gz	AYNUWJGFGCPRCF-GUDVDZBRSA-N	1	0	357.454	1.548	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087033956	953136715	/nfs/dbraw/zinc/13/67/15/953136715.db2.gz	JOTXNECQYSMNKO-IEBWSBKVSA-N	1	0	367.453	1.559	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1ccccc1N(C)C	ZINC001087035521	953145313	/nfs/dbraw/zinc/14/53/13/953145313.db2.gz	CSDFQMPXQZGGLX-KVSKMBFKSA-N	1	0	358.486	1.865	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1cnn(C(C)(C)C)c1	ZINC001087035718	953145638	/nfs/dbraw/zinc/14/56/38/953145638.db2.gz	KSPSBPRAXBPKSJ-USXIJHARSA-N	1	0	361.490	1.751	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1noc2c1CCCC2	ZINC001087035785	953145685	/nfs/dbraw/zinc/14/56/85/953145685.db2.gz	MRNBAVJBJVWNHK-PMUMKWKESA-N	1	0	360.458	1.666	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1cncs1	ZINC001087040082	953156741	/nfs/dbraw/zinc/15/67/41/953156741.db2.gz	QLCACSKDRSOBFW-CZUORRHYSA-N	1	0	359.455	1.610	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C=C3CCC3)C[C@H]2OCC)C1=O	ZINC001087043409	953165059	/nfs/dbraw/zinc/16/50/59/953165059.db2.gz	OCOUKNZGZNOJIS-KZNAEPCWSA-N	1	0	361.486	1.337	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087034458	953171767	/nfs/dbraw/zinc/17/17/67/953171767.db2.gz	GMGRFEWXZZRDNK-IEBWSBKVSA-N	1	0	367.453	1.559	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1ccn(CC)n1	ZINC001087047012	953195458	/nfs/dbraw/zinc/19/54/58/953195458.db2.gz	NRRRYYLBROZROW-CRAIPNDOSA-N	1	0	370.457	1.370	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C(C)(C)C=C)C[C@H]2OCC)C1=O	ZINC001087072193	953226910	/nfs/dbraw/zinc/22/69/10/953226910.db2.gz	WGKMHHIOQNIDGY-IXDOHACOSA-N	1	0	363.502	1.439	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087086785	953247858	/nfs/dbraw/zinc/24/78/58/953247858.db2.gz	CAVLNFYUYOTBML-RTBURBONSA-N	1	0	365.437	1.615	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](C[NH2+]Cc2cnnn2CC)[C@H](OCC)C1	ZINC001087080171	953265767	/nfs/dbraw/zinc/26/57/67/953265767.db2.gz	XTUZRKNQBDKGML-SZVBFZGTSA-N	1	0	363.506	1.853	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nccn3C)[C@H](OCC)C2)nc1	ZINC001087097221	953283987	/nfs/dbraw/zinc/28/39/87/953283987.db2.gz	CNFOTPORKASVNL-SJLPKXTDSA-N	1	0	367.453	1.063	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ccns3)[C@H](OCC)C2)cn1	ZINC001087097196	953284142	/nfs/dbraw/zinc/28/41/42/953284142.db2.gz	ATJQKHBRJZESQE-CRAIPNDOSA-N	1	0	370.478	1.786	20	30		FDEDRO
C[C@]12CN(C(=O)c3cnc[nH]c3=O)C[C@H]1C[N@H+](Cc1ccc(C#N)s1)C2	ZINC001091771118	953294834	/nfs/dbraw/zinc/29/48/34/953294834.db2.gz	SYTDRRSLFBLDTK-XIKOKIGWSA-N	1	0	369.450	1.709	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@]2(C)C1	ZINC001091793771	953317605	/nfs/dbraw/zinc/31/76/05/953317605.db2.gz	MFBYAMFLCHXHQD-CEQIKUNHSA-N	1	0	369.465	1.534	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1c1ncc(C#N)cc1F	ZINC001091820928	953479316	/nfs/dbraw/zinc/47/93/16/953479316.db2.gz	DRYFIZGPLLFISC-JKSUJKDBSA-N	1	0	359.449	1.908	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)Cc3cn4cc(F)ccc4n3)C[C@]2(C)C1	ZINC001091889533	953530709	/nfs/dbraw/zinc/53/07/09/953530709.db2.gz	KDYHGXJOJTUCQS-QRWLVFNGSA-N	1	0	354.429	1.820	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N1C[C@H]2CCN(c3ncccc3C#N)C[C@H]2C1	ZINC001091856821	953565231	/nfs/dbraw/zinc/56/52/31/953565231.db2.gz	MOFRAMZYTOGRED-MSOLQXFVSA-N	1	0	355.486	1.970	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H]2CN(C(=O)c3ccnc4[nH]c(CC)nc43)C[C@]2(C)C1	ZINC001091874769	953640738	/nfs/dbraw/zinc/64/07/38/953640738.db2.gz	OBCYPIQLHLSKIY-VLIAUNLRSA-N	1	0	351.454	1.938	20	30		FDEDRO
C[C@]12CN(C(=O)[C@]3(C)CNC(=O)C3)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001091876786	953646231	/nfs/dbraw/zinc/64/62/31/953646231.db2.gz	RZXHHSDHJUOAAF-QMMLZNLJSA-N	1	0	366.465	1.365	20	30		FDEDRO
CCCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCCS2(=O)=O)C1	ZINC001196819322	971942945	/nfs/dbraw/zinc/94/29/45/971942945.db2.gz	GIJOYXGEASMLEV-INMHGKMJSA-N	1	0	360.520	1.085	20	30		FDEDRO
CN1C(=O)CC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@]2(C)C1	ZINC001091918673	953709629	/nfs/dbraw/zinc/70/96/29/953709629.db2.gz	NIKQFAQOINPGBU-LQWHRVPQSA-N	1	0	366.465	1.459	20	30		FDEDRO
CN1CC[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@@]3(C)C2)C1=O	ZINC001091930694	953725984	/nfs/dbraw/zinc/72/59/84/953725984.db2.gz	PSWAZWNKSOQDBL-OPYAIIAOSA-N	1	0	366.465	1.317	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC(=O)Nc4ccccc43)C[C@]2(C)C1	ZINC001091898949	953739620	/nfs/dbraw/zinc/73/96/20/953739620.db2.gz	ZWGWQWTZUNAFHF-KUDFPVQQSA-N	1	0	351.450	1.916	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cccnc4C)C[C@]3(C)C2)C1=O	ZINC001091963728	953748711	/nfs/dbraw/zinc/74/87/11/953748711.db2.gz	GJBUFWNXVZZPIC-BLIXFSHQSA-N	1	0	368.481	1.571	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@H]3C[N@@H+]([C@@H]4CCC(=O)NC4=O)C[C@@]3(C)C2)CC1	ZINC001091978901	953974072	/nfs/dbraw/zinc/97/40/72/953974072.db2.gz	KKMSGOMXSWNVMY-QINHECLXSA-N	1	0	359.470	1.318	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@H](NC(=O)C3(C[NH+](C)C)CC3)[C@H]2C)n1	ZINC001092042558	954018259	/nfs/dbraw/zinc/01/82/59/954018259.db2.gz	BGPUFBLSYWYYDI-HIFRSBDPSA-N	1	0	356.474	1.336	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CCN1c1nccnc1C#N	ZINC001092028985	954126846	/nfs/dbraw/zinc/12/68/46/954126846.db2.gz	SNYKOVIXSXMOHL-CVEARBPZSA-N	1	0	370.501	1.944	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3C[N@@H+]([C@@H](C)c4cnccn4)C[C@@]3(C)C2)nn1	ZINC001092078824	954225863	/nfs/dbraw/zinc/22/58/63/954225863.db2.gz	DLPJIICYBYFFQI-KHYOSLBOSA-N	1	0	367.457	1.409	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H]2CN(C(=O)c3cnn4cc(OC)ccc34)C[C@]2(C)C1	ZINC001092099613	954295472	/nfs/dbraw/zinc/29/54/72/954295472.db2.gz	ZWYDSJAFMRGIQL-QRWLVFNGSA-N	1	0	352.438	1.760	20	30		FDEDRO
C[C@]12CN(C(=O)c3nc[nH]n3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1F)C2	ZINC001092110738	954341832	/nfs/dbraw/zinc/34/18/32/954341832.db2.gz	NEUIMWLSEAGTGK-KDOFPFPSSA-N	1	0	354.389	1.410	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)Cc3cccc(NC(C)=O)c3)C[C@]2(C)C1	ZINC001092217378	954548456	/nfs/dbraw/zinc/54/84/56/954548456.db2.gz	INIODNKNMWAOIT-NQIIRXRSSA-N	1	0	353.466	1.991	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3nc4nc(C)cc(C)n4n3)C[C@]2(C)C1	ZINC001092249257	954705087	/nfs/dbraw/zinc/70/50/87/954705087.db2.gz	KKBZFBIQHYJWPQ-BEFAXECRSA-N	1	0	352.442	1.158	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1C[C@H]2CN(c3cc(C)ncc3C#N)C[C@@]2(C)C1	ZINC001092290259	954880534	/nfs/dbraw/zinc/88/05/34/954880534.db2.gz	XYKGJVZCOLTVID-XLIONFOSSA-N	1	0	355.486	1.888	20	30		FDEDRO
C[C@]12CN(C(=O)CCC[NH+]3CCCC3)C[C@H]1CN(c1ccnc(C#N)n1)C2	ZINC001092292153	954892567	/nfs/dbraw/zinc/89/25/67/954892567.db2.gz	WDQMSAZGHSEDAW-UZLBHIALSA-N	1	0	368.485	1.509	20	30		FDEDRO
Cc1nc(N2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)ccc1C#N	ZINC001092292608	954895916	/nfs/dbraw/zinc/89/59/16/954895916.db2.gz	OZGLDOOFYPVKPC-XLIONFOSSA-N	1	0	371.485	1.125	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc4[nH]c(=O)n(C)c4c3)C[C@]2(C)C1	ZINC001092328184	954950564	/nfs/dbraw/zinc/95/05/64/954950564.db2.gz	QXEHOLWEARQZKM-QRWLVFNGSA-N	1	0	352.438	1.696	20	30		FDEDRO
C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C)[NH+]1CCCCCC1	ZINC001092405221	955027444	/nfs/dbraw/zinc/02/74/44/955027444.db2.gz	MLYXRWCNNBLQSO-IXDOHACOSA-N	1	0	370.501	1.801	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CNC(=O)CCC[NH+]1CCCCC1	ZINC001092366682	955033087	/nfs/dbraw/zinc/03/30/87/955033087.db2.gz	QLMSUNPCYROTLN-IAGOWNOFSA-N	1	0	370.501	1.803	20	30		FDEDRO
C=C(C)CN1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1nccn12	ZINC001092373664	955047530	/nfs/dbraw/zinc/04/75/30/955047530.db2.gz	WUEWXYKRDMAYHX-GVDBMIGSSA-N	1	0	357.502	1.761	20	30		FDEDRO
Cc1cc(N2C[C@@H](CNC(=O)C[N@H+]3CC[C@H](C)C3)[C@H](C)C2)c(C#N)cn1	ZINC001092444671	955116318	/nfs/dbraw/zinc/11/63/18/955116318.db2.gz	IBGHEGAFOFOEPE-HDMKZQKVSA-N	1	0	355.486	1.792	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](CCNC(=O)[C@H]3CC[N@H+](C)C3)C2)n1	ZINC001092519472	955306790	/nfs/dbraw/zinc/30/67/90/955306790.db2.gz	BZOJYLPHDSMLDC-BMFZPTHFSA-N	1	0	356.474	1.187	20	30		FDEDRO
Cc1nsc(N2C[C@@H](C)[C@H](CCNC(=O)[C@H]3CC[N@H+](C)C3)C2)c1C#N	ZINC001092519452	955307141	/nfs/dbraw/zinc/30/71/41/955307141.db2.gz	BTYSBEJFOXSRSM-YUELXQCFSA-N	1	0	361.515	1.854	20	30		FDEDRO
C[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC001092551057	955401285	/nfs/dbraw/zinc/40/12/85/955401285.db2.gz	HPFVORNSKOJSJK-JMSVASOKSA-N	1	0	352.385	1.608	20	30		FDEDRO
C[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC001092553792	955418669	/nfs/dbraw/zinc/41/86/69/955418669.db2.gz	VFJHEEUYXRYRGJ-FRFSOERESA-N	1	0	371.485	1.583	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)N2CCCC[C@H]2C)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC001092530595	955488285	/nfs/dbraw/zinc/48/82/85/955488285.db2.gz	FTOCLEJJQFSXBG-BFYDXBDKSA-N	1	0	371.485	1.585	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CCNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001092531704	955492766	/nfs/dbraw/zinc/49/27/66/955492766.db2.gz	PHLUQFCLYZKMHR-OWCLPIDISA-N	1	0	356.474	1.269	20	30		FDEDRO
COc1cc(C(=O)NC[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2C)ncn1	ZINC001092610984	955667569	/nfs/dbraw/zinc/66/75/69/955667569.db2.gz	CMUUQKKHAHBIMX-SJLPKXTDSA-N	1	0	364.449	1.835	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC(=O)NC2CCCC2)C1	ZINC001197154757	972123696	/nfs/dbraw/zinc/12/36/96/972123696.db2.gz	HNQOLSIDJVWDTG-DJIMGWMZSA-N	1	0	351.491	1.341	20	30		FDEDRO
C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CCNc1ccc(C#N)cn1	ZINC001092618625	955840177	/nfs/dbraw/zinc/84/01/77/955840177.db2.gz	GUQMNHKLAABDQD-NVXWUHKLSA-N	1	0	359.474	1.428	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@@H]1C[N@H+]([C@@H]2CCN(CC)C2=O)C[C@H]1C	ZINC001092678154	955997987	/nfs/dbraw/zinc/99/79/87/955997987.db2.gz	XHADKQUCHYJTNU-JFIYKMOQSA-N	1	0	358.486	1.593	20	30		FDEDRO
C[NH+](C)C1(C(=O)NC[C@]23CCC[C@H]2N(c2cncc(C#N)n2)CC3)CCC1	ZINC001092704727	956115844	/nfs/dbraw/zinc/11/58/44/956115844.db2.gz	MXVDXRJQYSVHBV-VQIMIIECSA-N	1	0	368.485	1.698	20	30		FDEDRO
CC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1N(c1nc(C)cc(C#N)n1)CC2	ZINC001092706692	956125874	/nfs/dbraw/zinc/12/58/74/956125874.db2.gz	SWINLZGGANLUFR-YLJYHZDGSA-N	1	0	370.501	1.864	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)c1cnc[nH]c1=O	ZINC001092711039	956144309	/nfs/dbraw/zinc/14/43/09/956144309.db2.gz	LEUBILAAXFSXIA-IUODEOHRSA-N	1	0	369.400	1.691	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)NC[C@]23CCC[C@H]2N(c2cncc(C#N)n2)CC3)C1	ZINC001092715128	956162634	/nfs/dbraw/zinc/16/26/34/956162634.db2.gz	POEHTLVHQKCUPA-XAUMDUMWSA-N	1	0	368.485	1.555	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@H]1CCN(C)C(=O)C1	ZINC001092738336	956230838	/nfs/dbraw/zinc/23/08/38/956230838.db2.gz	MEEZYQLJLHEOLK-AYOQOUSVSA-N	1	0	368.481	1.611	20	30		FDEDRO
CCN1CCOC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C	ZINC001092753201	956278396	/nfs/dbraw/zinc/27/83/96/956278396.db2.gz	AESQIIXGZXZESK-NSISKUIASA-N	1	0	370.497	1.463	20	30		FDEDRO
CCN1CCOC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C	ZINC001092753195	956278461	/nfs/dbraw/zinc/27/84/61/956278461.db2.gz	AESQIIXGZXZESK-AHRSYUTCSA-N	1	0	370.497	1.463	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCO[C@](C)(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001092776852	956414120	/nfs/dbraw/zinc/41/41/20/956414120.db2.gz	CKOSVWWISSPGQZ-WRWLIDTKSA-N	1	0	371.485	1.313	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nc1	ZINC001092837645	956451317	/nfs/dbraw/zinc/45/13/17/956451317.db2.gz	SNXQARQCPVGBKG-FXECBMLZSA-N	1	0	369.469	1.147	20	30		FDEDRO
COc1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)nn1C	ZINC001092810732	956451445	/nfs/dbraw/zinc/45/14/45/956451445.db2.gz	CTDWVMNIVSDWFF-RHSMWYFYSA-N	1	0	367.453	1.798	20	30		FDEDRO
N#Cc1ccc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCCCC2)C3)nn1	ZINC001092843996	956476011	/nfs/dbraw/zinc/47/60/11/956476011.db2.gz	CQAYIVVAURGCAX-IKGGRYGDSA-N	1	0	354.458	1.450	20	30		FDEDRO
CN1CC2(C1)CN(S(=O)(=O)c1ccc(Br)c(C#N)c1)C2	ZINC001197310910	972191890	/nfs/dbraw/zinc/19/18/90/972191890.db2.gz	OQXGUIUVXXKESX-UHFFFAOYSA-N	1	0	356.245	1.257	20	30		FDEDRO
COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cc(=O)n2ncc(C#N)c2[nH]1	ZINC001197305051	972191045	/nfs/dbraw/zinc/19/10/45/972191045.db2.gz	VFWQEZPKYJCXHZ-IBGZPJMESA-N	1	0	367.409	1.398	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncccc1C#N	ZINC001092887642	956678019	/nfs/dbraw/zinc/67/80/19/956678019.db2.gz	GOPTVHKGWXVOKS-NCOADZHNSA-N	1	0	359.449	1.859	20	30		FDEDRO
C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2COCCN2CCCC)[C@H](C)C1	ZINC001092856082	956702861	/nfs/dbraw/zinc/70/28/61/956702861.db2.gz	WDEYRUIUCNQAFT-OIISXLGYSA-N	1	0	357.926	1.924	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2c[nH]nc2[C@@H]2CCOC2)[C@H](C)C1	ZINC001092857801	956709276	/nfs/dbraw/zinc/70/92/76/956709276.db2.gz	OGIZSLHUEJXZEO-MRVWCRGKSA-N	1	0	352.866	1.964	20	30		FDEDRO
C[C@@H]1C[N@H+](C)CC[C@@H]1NS(=O)(=O)c1ccc(Br)c(C#N)c1	ZINC001197339511	972211886	/nfs/dbraw/zinc/21/18/86/972211886.db2.gz	HKIVGMRNRQPXIN-YGRLFVJLSA-N	1	0	372.288	1.939	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)c1cn(C)c(=O)[nH]1	ZINC001092936734	956958079	/nfs/dbraw/zinc/95/80/79/956958079.db2.gz	IBSMMXCQZVHUPH-IUODEOHRSA-N	1	0	371.416	1.634	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)c1ccc(C(N)=O)[nH]1	ZINC001092969005	957015610	/nfs/dbraw/zinc/01/56/10/957015610.db2.gz	DZNZJXYNRAYUKH-CZUORRHYSA-N	1	0	365.437	1.483	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O	ZINC001092971091	957026178	/nfs/dbraw/zinc/02/61/78/957026178.db2.gz	UTFWDLXWDHJPNY-MPESAESLSA-N	1	0	358.417	1.003	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@H]2C)nn1	ZINC001093035304	957253797	/nfs/dbraw/zinc/25/37/97/957253797.db2.gz	XCWQADKKVAQIDX-CRAIPNDOSA-N	1	0	369.469	1.454	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@H+](C[C@@H](OC)C3CCC3)C[C@H]2C)nn1	ZINC001093035228	957253883	/nfs/dbraw/zinc/25/38/83/957253883.db2.gz	TUNSIDPQGGOSOH-QGPMSJSTSA-N	1	0	361.490	1.577	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3cncn3C)C[C@H]2C)nn1	ZINC001093035457	957254577	/nfs/dbraw/zinc/25/45/77/957254577.db2.gz	FUGWWOSKWIYIKJ-HUUCEWRRSA-N	1	0	357.462	1.086	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3cc(C)no3)C[C@H]2C)nn1	ZINC001093035519	957255035	/nfs/dbraw/zinc/25/50/35/957255035.db2.gz	IAEGQCZBTQOQES-UKRRQHHQSA-N	1	0	358.446	1.649	20	30		FDEDRO
Cc1nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(C[NH+](C)C)CC2)C3)ccc1C#N	ZINC001093037744	957259200	/nfs/dbraw/zinc/25/92/00/957259200.db2.gz	VTUGJQYGSKHHFL-ZACQAIPSSA-N	1	0	353.470	1.829	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3conc3C)C[C@H]2C)nn1	ZINC001093040959	957266080	/nfs/dbraw/zinc/26/60/80/957266080.db2.gz	YMGUYQPGIOULIC-UKRRQHHQSA-N	1	0	358.446	1.649	20	30		FDEDRO
C[NH+]1CCN(c2ccc(NS(=O)(=O)Cc3cccnc3)cc2C#N)CC1	ZINC001197457500	972267056	/nfs/dbraw/zinc/26/70/56/972267056.db2.gz	ILDJKNJNYRRTHF-UHFFFAOYSA-N	1	0	371.466	1.647	20	30		FDEDRO
CC[C@H](C(=O)N[C@]12CCC[C@H]1CN(c1ccc(C#N)nn1)C2)[NH+](CC)CC	ZINC001093103930	957450339	/nfs/dbraw/zinc/45/03/39/957450339.db2.gz	RZLCRANNHHWWML-VPWXQRGCSA-N	1	0	370.501	1.944	20	30		FDEDRO
C[NH+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2ncccc2C#N)C1	ZINC001093115652	957557935	/nfs/dbraw/zinc/55/79/35/957557935.db2.gz	LIRFSCHPPSSULY-CHWSQXEVSA-N	1	0	355.364	1.706	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@@H]1CCCC(=O)N1C	ZINC001093167850	957725030	/nfs/dbraw/zinc/72/50/30/957725030.db2.gz	FSONQLZYCPDGDZ-LZQZEXGQSA-N	1	0	368.481	1.753	20	30		FDEDRO
CCN1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)C1	ZINC001093215388	957835417	/nfs/dbraw/zinc/83/54/17/957835417.db2.gz	XJWJRNPDROMRON-NSISKUIASA-N	1	0	370.497	1.463	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3ccc(C)nc3C)[C@H](C)C2)C1=O	ZINC001093220127	957845974	/nfs/dbraw/zinc/84/59/74/957845974.db2.gz	SGKXIUNPXDLDSU-BJZITVGISA-N	1	0	370.497	1.783	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(Cc3cnns3)C[C@H]2C)CC1	ZINC001093224462	957856698	/nfs/dbraw/zinc/85/66/98/957856698.db2.gz	XJIFUAUHMPJAJI-GDBMZVCRSA-N	1	0	361.515	1.067	20	30		FDEDRO
CCn1nc(C)c(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)n1	ZINC001093258156	957892544	/nfs/dbraw/zinc/89/25/44/957892544.db2.gz	BHSGECAEQZGHFE-RDTXWAMCSA-N	1	0	366.469	1.976	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3cccn3C)C[C@H]2C)C1=O	ZINC001093270686	957936581	/nfs/dbraw/zinc/93/65/81/957936581.db2.gz	BLOODLWBZMMMPG-ZACQAIPSSA-N	1	0	358.486	1.500	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1CC[NH2+][C@@H]1CCCN(C)C1=O	ZINC001093274528	957944661	/nfs/dbraw/zinc/94/46/61/957944661.db2.gz	QJVWYLZXTWWECH-FVQBIDKESA-N	1	0	357.458	1.195	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)Cc3ccoc3)C[C@H]2C)C1=O	ZINC001093274539	957945051	/nfs/dbraw/zinc/94/50/51/957945051.db2.gz	QVZGXRXHHGQTTM-KBAYOESNSA-N	1	0	359.470	1.683	20	30		FDEDRO
CC(C)N1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)C1=O	ZINC001093275234	957945750	/nfs/dbraw/zinc/94/57/50/957945750.db2.gz	XHJPIGICAPPQMA-RKVPGOIHSA-N	1	0	371.485	1.583	20	30		FDEDRO
CC#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2OCCO[C@H]2C)CC1	ZINC001093370952	958013935	/nfs/dbraw/zinc/01/39/35/958013935.db2.gz	HYVYEGGIUWQGCH-YTQUADARSA-N	1	0	360.498	1.907	20	30		FDEDRO
C#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1	ZINC001093374552	958014558	/nfs/dbraw/zinc/01/45/58/958014558.db2.gz	KNIUGAGCLKZIHV-HAGHYFMRSA-N	1	0	372.509	1.764	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncccc3O)[C@H]2C(C)C)C[C@H]1O	ZINC001093441475	958078016	/nfs/dbraw/zinc/07/80/16/958078016.db2.gz	ACUMVCCABDBPAZ-GNUPYSACSA-N	1	0	359.470	1.943	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(CC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093442983	958082859	/nfs/dbraw/zinc/08/28/59/958082859.db2.gz	MUUHWBAWTZPDHU-VYCZESIESA-N	1	0	361.490	1.454	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)C#CC2CC2)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnn(C)c1)C2	ZINC001093443889	958087517	/nfs/dbraw/zinc/08/75/17/958087517.db2.gz	VZTKNABUSNIMFU-QCFAMHMHSA-N	1	0	370.497	1.300	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)C#CC2CC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cnn(C)c1)C2	ZINC001093443890	958087632	/nfs/dbraw/zinc/08/76/32/958087632.db2.gz	VZTKNABUSNIMFU-RMVXJAJNSA-N	1	0	370.497	1.300	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(OC)ns3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093446363	958093472	/nfs/dbraw/zinc/09/34/72/958093472.db2.gz	HKACGDNDAXGHHW-ZHCAMHROSA-N	1	0	363.483	1.365	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(Cl)cnn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093447086	958097354	/nfs/dbraw/zinc/09/73/54/958097354.db2.gz	QRYHNJBOQZEMPO-AHEZYBDSSA-N	1	0	366.893	1.839	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnn3C3CCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093446950	958097573	/nfs/dbraw/zinc/09/75/73/958097573.db2.gz	OJZKLHAJDSRAFN-RBAQFSTRSA-N	1	0	370.497	1.821	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(C)(C)O)[C@H]2C(C)C)C[C@H]1O	ZINC001093446935	958098103	/nfs/dbraw/zinc/09/81/03/958098103.db2.gz	OAPGBBDGIVYOAR-DEICHXMPSA-N	1	0	358.910	1.866	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnc4[nH]cnc43)[C@H]2C(C)C)C[C@H]1O	ZINC001093448166	958106060	/nfs/dbraw/zinc/10/60/60/958106060.db2.gz	FLJRERGZVPXFNK-RNKNFESXSA-N	1	0	369.469	1.724	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3ccnn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093448413	958107688	/nfs/dbraw/zinc/10/76/88/958107688.db2.gz	JELBUHMSEIEJJB-HNBVOPMISA-N	1	0	360.502	1.505	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc4n(n3)CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093450038	958120729	/nfs/dbraw/zinc/12/07/29/958120729.db2.gz	SJWBNXXBTLKFMY-SOAMZJECSA-N	1	0	356.470	1.042	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C)nc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093451520	958132857	/nfs/dbraw/zinc/13/28/57/958132857.db2.gz	VDVCTJPAGKHHSZ-MLYOOKFZSA-N	1	0	358.486	1.195	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(=O)Nc3ccccc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093452349	958180555	/nfs/dbraw/zinc/18/05/55/958180555.db2.gz	HHTIEOSPNQJSFN-WIRSXHRWSA-N	1	0	369.465	1.224	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3cncnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093460046	958186394	/nfs/dbraw/zinc/18/63/94/958186394.db2.gz	XSFRLHNTKVMAQN-IZBJGVDFSA-N	1	0	358.486	1.561	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(CF)CCOCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093464028	958197750	/nfs/dbraw/zinc/19/77/50/958197750.db2.gz	BIFGGDXVGZIIHB-VIPLHTEESA-N	1	0	368.493	1.905	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3cc(C)on3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093464953	958201776	/nfs/dbraw/zinc/20/17/76/958201776.db2.gz	HITNRYXWNVUVBS-HNBVOPMISA-N	1	0	359.470	1.515	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CCF)C3)[C@@H]2C(C)C)nn1	ZINC001093466160	958207826	/nfs/dbraw/zinc/20/78/26/958207826.db2.gz	LYHKSCLURJTJOD-NYCLONFESA-N	1	0	365.453	1.013	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cc(Cl)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093466700	958211143	/nfs/dbraw/zinc/21/11/43/958211143.db2.gz	PECUWDGUSSVWRI-JOCBIADPSA-N	1	0	364.877	1.136	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3ccc(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093466729	958211231	/nfs/dbraw/zinc/21/12/31/958211231.db2.gz	PFKHDPYQZUCSBN-LFGUQSLTSA-N	1	0	360.502	1.734	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3ccc(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093466724	958211295	/nfs/dbraw/zinc/21/12/95/958211295.db2.gz	PFKHDPYQZUCSBN-HNBVOPMISA-N	1	0	360.502	1.734	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(CF)CCOCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093467130	958213346	/nfs/dbraw/zinc/21/33/46/958213346.db2.gz	SWWMSEJTJZBFEI-VIPLHTEESA-N	1	0	366.477	1.352	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C)nc3OC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093468010	958216989	/nfs/dbraw/zinc/21/69/89/958216989.db2.gz	WYLHKKBWBWXHRW-NEYJZJCJSA-N	1	0	371.481	1.612	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3conc3C3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093468228	958217806	/nfs/dbraw/zinc/21/78/06/958217806.db2.gz	XZPXNZKGQSZQEL-HBXLWWENSA-N	1	0	357.454	1.765	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)nc(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093470383	958228386	/nfs/dbraw/zinc/22/83/86/958228386.db2.gz	UGOFWJUSMUPJRT-MLYOOKFZSA-N	1	0	356.470	1.306	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc(OC)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093470982	958232113	/nfs/dbraw/zinc/23/21/13/958232113.db2.gz	AYJJVAHVXZZOOR-XCJLJZCSSA-N	1	0	356.466	1.908	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CCF)C3)[C@H]2C(C)C)cn1	ZINC001093471433	958233923	/nfs/dbraw/zinc/23/39/23/958233923.db2.gz	DJTABSWPYAOIHR-SOAMZJECSA-N	1	0	359.445	1.612	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(CC)c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093474329	958247883	/nfs/dbraw/zinc/24/78/83/958247883.db2.gz	UVNKZLCSDHJXQJ-FTEYMNFISA-N	1	0	358.486	1.424	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3nonc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093474771	958250000	/nfs/dbraw/zinc/25/00/00/958250000.db2.gz	WSIUOVILESWMMI-FPAYPSAMSA-N	1	0	362.474	1.463	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COc3cccc(C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093477287	958257052	/nfs/dbraw/zinc/25/70/52/958257052.db2.gz	GQIVGBIXYPAEMT-WKDRNLAYSA-N	1	0	370.493	1.973	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(C)c3Cl)[C@@H]2C(C)C)C[C@H]1O	ZINC001093453584	958263335	/nfs/dbraw/zinc/26/33/35/958263335.db2.gz	WTBQCUKBTAWZAN-ADAWSYLGSA-N	1	0	366.893	1.839	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccc(=O)[nH]c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093454242	958266807	/nfs/dbraw/zinc/26/68/07/958266807.db2.gz	ASFMCPUCXGGSFP-SMOSDQRPSA-N	1	0	359.470	1.482	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH]c(=O)n3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093455349	958272803	/nfs/dbraw/zinc/27/28/03/958272803.db2.gz	MFBVOMPNKVVRTH-RGPZOAQRSA-N	1	0	362.474	1.282	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C)ccc3=O)[C@H]2C(C)C)C[C@H]1O	ZINC001093457350	958280022	/nfs/dbraw/zinc/28/00/22/958280022.db2.gz	IYIVRCFYDJMFHH-PHXBYCTMSA-N	1	0	359.470	1.151	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnc(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093477977	958291480	/nfs/dbraw/zinc/29/14/80/958291480.db2.gz	BATPDHWFDYAJPS-MLYOOKFZSA-N	1	0	358.486	1.941	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nn(CC)nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093479065	958297502	/nfs/dbraw/zinc/29/75/02/958297502.db2.gz	GREDEEBYBDNBRC-RRIFGTCXSA-N	1	0	361.490	1.372	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncnc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001093480842	958305407	/nfs/dbraw/zinc/30/54/07/958305407.db2.gz	PEGLPXBVAIAAFP-XSYGEPLQSA-N	1	0	356.470	1.252	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3cccc(F)c3)C[C@H]2C)C1=O	ZINC001093619608	958350137	/nfs/dbraw/zinc/35/01/37/958350137.db2.gz	QTWXPDBLPFIWJX-QGPMSJSTSA-N	1	0	359.445	1.910	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCOC3)C[C@H]2C)cc1C#N	ZINC001093665342	958465124	/nfs/dbraw/zinc/46/51/24/958465124.db2.gz	WFHWGFAKOKGXMP-QGPMSJSTSA-N	1	0	357.454	1.787	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1C	ZINC001093684987	958498211	/nfs/dbraw/zinc/49/82/11/958498211.db2.gz	RGLIRJDSGIHBSE-RHSMWYFYSA-N	1	0	367.453	1.717	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nn2)[C@H](C)C1	ZINC001093673514	958515825	/nfs/dbraw/zinc/51/58/25/958515825.db2.gz	SCIIPJDMUYLVAF-ARFHVFGLSA-N	1	0	352.442	1.611	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001093675278	958523846	/nfs/dbraw/zinc/52/38/46/958523846.db2.gz	NOGNPQBFUYVLHR-SRCQZFHVSA-N	1	0	358.417	1.160	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1cc2n(n1)CCCC2	ZINC001093699886	958566457	/nfs/dbraw/zinc/56/64/57/958566457.db2.gz	NPZHRWFLIWVTDN-GDBMZVCRSA-N	1	0	366.469	1.917	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]C[C@@H]1CCNC(=O)CC1	ZINC001093699912	958566477	/nfs/dbraw/zinc/56/64/77/958566477.db2.gz	OYFJWCWCYUABNU-IJEWVQPXSA-N	1	0	357.458	1.100	20	30		FDEDRO
COc1ncccc1C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC001093722439	958597625	/nfs/dbraw/zinc/59/76/25/958597625.db2.gz	DCLAINCKMVSWCQ-UKRRQHHQSA-N	1	0	353.426	1.788	20	30		FDEDRO
COc1coc(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)cc1=O	ZINC001093725402	958607728	/nfs/dbraw/zinc/60/77/28/958607728.db2.gz	JWHPZULVZMLDTD-TZMCWYRMSA-N	1	0	370.409	1.346	20	30		FDEDRO
COc1nccc(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)n1	ZINC001093725938	958610561	/nfs/dbraw/zinc/61/05/61/958610561.db2.gz	JYEHSCMJFBKIRI-TZMCWYRMSA-N	1	0	354.414	1.183	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C)c1nnnn1C1CC1	ZINC001093725861	958610628	/nfs/dbraw/zinc/61/06/28/958610628.db2.gz	HYWDXTHXIVLBHU-MBNYWOFBSA-N	1	0	368.445	1.267	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1nnc2n1CCCC2	ZINC001093726219	958612809	/nfs/dbraw/zinc/61/28/09/958612809.db2.gz	SFQPXIGBRKDMLJ-UKRRQHHQSA-N	1	0	367.457	1.312	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)/C=C\c3ccc[nH]3)C[C@H]2C)C1=O	ZINC001093736639	958645770	/nfs/dbraw/zinc/64/57/70/958645770.db2.gz	ZYFYJYMKHQUACV-VCKBAZOKSA-N	1	0	356.470	1.499	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093739677	958653840	/nfs/dbraw/zinc/65/38/40/958653840.db2.gz	XHGHRGZFIKZDTQ-ZIAGYGMSSA-N	1	0	358.471	1.486	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3cn(C)nn3)C[C@H]2C)cc1C#N	ZINC001093752587	958680072	/nfs/dbraw/zinc/68/00/72/958680072.db2.gz	XOMYXSPGJGFHKQ-CZUORRHYSA-N	1	0	368.441	1.193	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001093764607	958708252	/nfs/dbraw/zinc/70/82/52/958708252.db2.gz	BQMSODBQRUWIOA-RHSMWYFYSA-N	1	0	369.444	1.858	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093804093	958837562	/nfs/dbraw/zinc/83/75/62/958837562.db2.gz	BXKHPDGZVMSYNJ-FHLIZLRMSA-N	1	0	354.454	1.221	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cncc(OC)n2)[C@H](C)C1	ZINC001093778977	958875879	/nfs/dbraw/zinc/87/58/79/958875879.db2.gz	RSIZXKPFNMQNDX-AHCXZYCDSA-N	1	0	374.485	1.651	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cc3n(n2)CCC3)[C@H](C)C1	ZINC001093778836	958876166	/nfs/dbraw/zinc/87/61/66/958876166.db2.gz	LTSOXEDCCNXIBC-SMOSDQRPSA-N	1	0	372.513	1.995	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)Cc3cnccc3C)C[C@H]2C)C1=O	ZINC001093832983	958927180	/nfs/dbraw/zinc/92/71/80/958927180.db2.gz	LTRKBWDYKWUWMV-QRQLOZEOSA-N	1	0	370.497	1.404	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCNC(=O)C2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093860391	959023000	/nfs/dbraw/zinc/02/30/00/959023000.db2.gz	HDBXHRVVVCUMHN-FQELHTAISA-N	1	0	368.481	1.659	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3[nH]c(C)cc3C)C[C@H]2C)C1=O	ZINC001093866058	959044823	/nfs/dbraw/zinc/04/48/23/959044823.db2.gz	XVTRPZGWDBZBGY-DJIMGWMZSA-N	1	0	358.486	1.716	20	30		FDEDRO
COc1nccc(C(=O)N2C[C@@H](C[NH2+]Cc3ccccc3C#N)[C@H](C)C2)n1	ZINC001093910281	959175833	/nfs/dbraw/zinc/17/58/33/959175833.db2.gz	NVPVHUIGDHJPJJ-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=S)Nc2cccc(C#N)c2)CC1	ZINC001197744047	972408742	/nfs/dbraw/zinc/40/87/42/972408742.db2.gz	VYACBOSJPJQTRZ-SHTZXODSSA-N	1	0	359.499	1.834	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCCC(=O)N2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093904854	959282521	/nfs/dbraw/zinc/28/25/21/959282521.db2.gz	BRYNPESZAADVRV-LZQZEXGQSA-N	1	0	368.481	1.801	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)c2ccc(C)cn2)CC1	ZINC000636677827	1013187853	/nfs/dbraw/zinc/18/78/53/1013187853.db2.gz	YQYDNTCLJMXXSU-UHFFFAOYSA-N	1	0	358.486	1.550	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093966782	959377347	/nfs/dbraw/zinc/37/73/47/959377347.db2.gz	MQIUITWOEMKSBF-CZUORRHYSA-N	1	0	353.426	1.495	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3cccnc3C)C[C@H]2C)C1=O	ZINC001094002399	959493869	/nfs/dbraw/zinc/49/38/69/959493869.db2.gz	KLWDIBUHKPOHPN-KYJSFNMBSA-N	1	0	356.470	1.475	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001093975580	959521408	/nfs/dbraw/zinc/52/14/08/959521408.db2.gz	OJVVBCNHSUIJRR-FZWVUDROSA-N	1	0	357.429	1.774	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3nc(COC)no3)[C@H](C)C2)c1	ZINC001094028086	959549900	/nfs/dbraw/zinc/54/99/00/959549900.db2.gz	RIDADDXKFHPOEG-CZUORRHYSA-N	1	0	369.425	1.090	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001094045660	959614849	/nfs/dbraw/zinc/61/48/49/959614849.db2.gz	HRVGTUKXLAJCCQ-AXUOBQJMSA-N	1	0	368.481	1.467	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C(C)C)[C@H](C)C1	ZINC001094055116	959644793	/nfs/dbraw/zinc/64/47/93/959644793.db2.gz	IVFYGIXJXQKOHE-FPCVCCKLSA-N	1	0	362.478	1.029	20	30		FDEDRO
C#C[C@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)[C@@H]1CCCO1	ZINC000775789113	972452323	/nfs/dbraw/zinc/45/23/23/972452323.db2.gz	KPKLCNPPQMSUCY-KBMXLJTQSA-N	1	0	354.244	1.959	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3cc(C)on3)[C@H](C)C2)nn1	ZINC001094101103	959700861	/nfs/dbraw/zinc/70/08/61/959700861.db2.gz	IJLVVTILMJGZIS-UKRRQHHQSA-N	1	0	358.446	1.649	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1C	ZINC001094074543	959700935	/nfs/dbraw/zinc/70/09/35/959700935.db2.gz	IJKCXQALYBLDJP-RHSMWYFYSA-N	1	0	367.453	1.717	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(F)cn3)[C@H](C)C2)nn1	ZINC001094095179	959771067	/nfs/dbraw/zinc/77/10/67/959771067.db2.gz	IIMBMTNZJRVQLH-ZIAGYGMSSA-N	1	0	358.421	1.496	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)cc3)[C@H](C)C2)nn1	ZINC001094095281	959772342	/nfs/dbraw/zinc/77/23/42/959772342.db2.gz	LQKXDPFGABALTA-CRAIPNDOSA-N	1	0	364.453	1.834	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(OC)nc3)[C@H](C)C2)nn1	ZINC001094095577	959772378	/nfs/dbraw/zinc/77/23/78/959772378.db2.gz	UOWOIAWGVSZQJH-GDBMZVCRSA-N	1	0	370.457	1.366	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001094114101	959803905	/nfs/dbraw/zinc/80/39/05/959803905.db2.gz	RLLQOGPAACHQTR-YLJYHZDGSA-N	1	0	370.497	1.465	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccncn2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001094120598	959820820	/nfs/dbraw/zinc/82/08/20/959820820.db2.gz	XKSUQYSLFGUQPL-CZUORRHYSA-N	1	0	353.401	1.985	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ccnn3C)[C@H](C)C2)nn1	ZINC001094101498	959883611	/nfs/dbraw/zinc/88/36/11/959883611.db2.gz	WHTQPFMMWFHCOA-HUUCEWRRSA-N	1	0	357.462	1.086	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2csnn2)[C@H](C)C1	ZINC001094103517	959884584	/nfs/dbraw/zinc/88/45/84/959884584.db2.gz	SZFJRXYMMYMSRD-VDERGJSUSA-N	1	0	350.488	1.703	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCOC2)[C@H](C)C1	ZINC001094158889	959929694	/nfs/dbraw/zinc/92/96/94/959929694.db2.gz	NLMBAGPZZAFTSJ-IXDOHACOSA-N	1	0	359.470	1.981	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2nncn2C)[C@H](C)C1	ZINC001094188024	960067654	/nfs/dbraw/zinc/06/76/54/960067654.db2.gz	DMRKNFKEBQCSCD-JTDSTZFVSA-N	1	0	365.481	1.784	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]Cc2cnn(C)n2)[C@H](C)C1	ZINC001094188367	960070171	/nfs/dbraw/zinc/07/01/71/960070171.db2.gz	QGMFGKGHPIJZLY-CRAIPNDOSA-N	1	0	351.454	1.223	20	30		FDEDRO
C=C[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2cnn(C)n2)[C@H](C)C1)c1ccccc1	ZINC001094237187	960148105	/nfs/dbraw/zinc/14/81/05/960148105.db2.gz	YCESNEUCHYXRDD-SUMDDJOVSA-N	1	0	353.470	1.969	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC(C)C	ZINC001110156026	960275037	/nfs/dbraw/zinc/27/50/37/960275037.db2.gz	MPJZPRMCAXXOAU-PMPSAXMXSA-N	1	0	366.506	1.397	20	30		FDEDRO
C#C[C@@H](NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCO1	ZINC000775791435	972491849	/nfs/dbraw/zinc/49/18/49/972491849.db2.gz	MJWQKNDVCBLODY-WOJBJXKFSA-N	1	0	355.482	1.669	20	30		FDEDRO
N#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)N2CCC2)CC3)[nH]1	ZINC001094394214	960343224	/nfs/dbraw/zinc/34/32/24/960343224.db2.gz	GXMOQHVDTMIECN-VQIMIIECSA-N	1	0	355.442	1.093	20	30		FDEDRO
O=C(NC[C@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2)[C@H]1CCC(=O)N1	ZINC001094379856	960373468	/nfs/dbraw/zinc/37/34/68/960373468.db2.gz	DYZNFYNLOBGTBH-WOIUINJBSA-N	1	0	365.477	1.678	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)CCC[C@@H]12	ZINC001094415011	960404371	/nfs/dbraw/zinc/40/43/71/960404371.db2.gz	IYVGHPITZDNRSK-XAUMDUMWSA-N	1	0	371.485	1.700	20	30		FDEDRO
O=C(NC[C@]12CCC[C@H]1[N@H+](CC#Cc1ccc(F)cc1)CC2)c1cn[nH]n1	ZINC001094456636	960547404	/nfs/dbraw/zinc/54/74/04/960547404.db2.gz	KPJUJRLJJRQDBL-UYAOXDASSA-N	1	0	367.428	1.970	20	30		FDEDRO
O=C(NC[C@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2)[C@@H]1CCNC1=O	ZINC001094487776	960577678	/nfs/dbraw/zinc/57/76/78/960577678.db2.gz	AAYXVTDGINQCDU-WOIUINJBSA-N	1	0	365.477	1.535	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4c(c3)ncn4C)CCC[C@@H]12	ZINC001094487563	960578116	/nfs/dbraw/zinc/57/81/16/960578116.db2.gz	ZYDGRVQVKHFSAO-YLJYHZDGSA-N	1	0	351.454	1.966	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4cnn(C)c4C3)CCC[C@@H]12	ZINC001094497450	960612225	/nfs/dbraw/zinc/61/22/25/960612225.db2.gz	YKUGHLUEFAOFBG-LDQXTDLNSA-N	1	0	354.498	1.909	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(-n4cnnn4)cn3)CCC[C@@H]12	ZINC001094477355	960647556	/nfs/dbraw/zinc/64/75/56/960647556.db2.gz	CPAKYZNIMDTWOK-IEBWSBKVSA-N	1	0	365.441	1.055	20	30		FDEDRO
C#C[C@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)[C@@H]1CCCO1	ZINC000775792727	972521649	/nfs/dbraw/zinc/52/16/49/972521649.db2.gz	SNUTVZVRYVMOIB-BPUTZDHNSA-N	1	0	354.244	1.959	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cn(C)nc3[C@H]3CCOC3)CCC[C@@H]12	ZINC001094477392	960648755	/nfs/dbraw/zinc/64/87/55/960648755.db2.gz	FFNGZCCXMDYMFK-XAUMDUMWSA-N	1	0	356.470	1.532	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[C@H](OC)CN3C(C)=O)CCC[C@@H]12	ZINC001094477595	960651368	/nfs/dbraw/zinc/65/13/68/960651368.db2.gz	HIJHLNVBKPLNQE-JRBPQWBISA-N	1	0	361.486	1.006	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCn2cccn2)CC3)c1	ZINC001094508852	960687914	/nfs/dbraw/zinc/68/79/14/960687914.db2.gz	QSXXJEJRAFAUGN-TZIWHRDSSA-N	1	0	363.465	1.934	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)c3c(C)c[nH]c3CC(N)=O)CCC[C@@H]12	ZINC001094519287	960716880	/nfs/dbraw/zinc/71/68/80/960716880.db2.gz	DUZBGNDGEMKRCE-OXQOHEQNSA-N	1	0	358.486	1.901	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3c(F)cccc3NC(N)=O)CCC[C@@H]12	ZINC001094524748	960721129	/nfs/dbraw/zinc/72/11/29/960721129.db2.gz	OCDVJPSKPJYLGW-DNVCBOLYSA-N	1	0	358.417	1.924	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@@]3(CNC(=O)c4nc(C)c[nH]4)CCC[C@@H]23)C1=O	ZINC001094532646	960744647	/nfs/dbraw/zinc/74/46/47/960744647.db2.gz	GXXMBTLPMPFOBR-JXXFODFXSA-N	1	0	371.485	1.479	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3nc4nc(C)cc(C)n4n3)CCC[C@@H]12	ZINC001094571673	960842283	/nfs/dbraw/zinc/84/22/83/960842283.db2.gz	SKXSKRPKIROMCT-DNVCBOLYSA-N	1	0	354.458	1.902	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2CCCN(C(=O)OC)C2)CC1	ZINC000773315066	961073314	/nfs/dbraw/zinc/07/33/14/961073314.db2.gz	OEBUZUUFTRCJMK-GJZGRUSLSA-N	1	0	352.479	1.803	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCC(C)(C)C)C2)C1	ZINC001094788336	961165545	/nfs/dbraw/zinc/16/55/45/961165545.db2.gz	QIMCBRZGHAZZSS-OIISXLGYSA-N	1	0	363.502	1.415	20	30		FDEDRO
C#C[C@H](C)N(C)C(=O)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1	ZINC000773948512	961172794	/nfs/dbraw/zinc/17/27/94/961172794.db2.gz	LIQXNVWHSMGTRL-INIZCTEOSA-N	1	0	356.470	1.636	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CC(C)C)C2)C1	ZINC001094791840	961173661	/nfs/dbraw/zinc/17/36/61/961173661.db2.gz	JBKVAHNRGZUCCY-AYBZRNKSSA-N	1	0	363.502	1.415	20	30		FDEDRO
C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCCNc2ccc(C#N)cn2)CC1	ZINC001094835977	961232278	/nfs/dbraw/zinc/23/22/78/961232278.db2.gz	MKEAPOITJBBGLA-MJGOQNOKSA-N	1	0	371.485	1.618	20	30		FDEDRO
C=CCOC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)C1	ZINC001171721508	961268206	/nfs/dbraw/zinc/26/82/06/961268206.db2.gz	RAPGBIMMTWZLKH-UONOGXRCSA-N	1	0	367.446	1.899	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCN(C4CC4)C(=O)C3)CC2)cc1	ZINC001172006271	961376013	/nfs/dbraw/zinc/37/60/13/961376013.db2.gz	VSWDRPRMLSGRGI-GOSISDBHSA-N	1	0	366.465	1.906	20	30		FDEDRO
COc1ccc(C#CC(=O)n2cc(Br)ccc2=NCC[NH3+])cc1	ZINC001182049292	961379638	/nfs/dbraw/zinc/37/96/38/961379638.db2.gz	CTVKSUIHYORUII-UHFFFAOYSA-N	1	0	374.238	1.811	20	30		FDEDRO
C=CCOC(=O)C[C@H](NC1CC[NH+](CCCOC)CC1)C(=O)OCC=C	ZINC001172250028	961596447	/nfs/dbraw/zinc/59/64/47/961596447.db2.gz	MEAYCEXFOLSVRN-KRWDZBQOSA-N	1	0	368.474	1.294	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@H]2C[C@H](C(=O)N3CCOCC3)[C@@H](C1)O2	ZINC001172305739	961617181	/nfs/dbraw/zinc/61/71/81/961617181.db2.gz	FVSQZRYBFUNIDR-JOCLIGHLSA-N	1	0	369.465	1.437	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2sc([C@@H]3CCOC3)nc2C)c1C#N	ZINC001182252895	961657722	/nfs/dbraw/zinc/65/77/22/961657722.db2.gz	MQVFHXKYQDUSAK-LLVKDONJSA-N	1	0	374.470	1.955	20	30		FDEDRO
CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OCC#N)cc1	ZINC001110265616	961671738	/nfs/dbraw/zinc/67/17/38/961671738.db2.gz	URQPRCPFOHFNAC-QVSURHGTSA-N	1	0	370.453	1.335	20	30		FDEDRO
C[C@H](CCCC#N)[N@@H+]1CCCn2nnc(COCC(=O)N3CCCC3)c2C1	ZINC001172495789	961687936	/nfs/dbraw/zinc/68/79/36/961687936.db2.gz	HSMVBCLJEANIDV-MRXNPFEDSA-N	1	0	374.489	1.705	20	30		FDEDRO
C=CCN1CCC[C@H]([NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)C1=O	ZINC001172885955	961816176	/nfs/dbraw/zinc/81/61/76/961816176.db2.gz	AATWNFVNMINVSC-INIZCTEOSA-N	1	0	351.491	1.559	20	30		FDEDRO
COCCOCCOCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1	ZINC001172968923	961854534	/nfs/dbraw/zinc/85/45/34/961854534.db2.gz	QSMRYNZRGIIWGR-CVEARBPZSA-N	1	0	371.478	1.547	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CCN(C3COC3)C2)C[C@H]1C#N	ZINC001172966644	961854651	/nfs/dbraw/zinc/85/46/51/961854651.db2.gz	CKBKJPZTUKJQGE-ILXRZTDVSA-N	1	0	350.463	1.341	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(c3cnccn3)C2)C[C@H]1C#N	ZINC001172973484	961857962	/nfs/dbraw/zinc/85/79/62/961857962.db2.gz	GXXYFBOAUCHBKQ-OAGGEKHMSA-N	1	0	372.473	1.937	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C#N	ZINC001172976438	961860335	/nfs/dbraw/zinc/86/03/35/961860335.db2.gz	PRVXWSZNCXICIM-IHRRRGAJSA-N	1	0	357.476	1.302	20	30		FDEDRO
CN1CCC(CO)([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1	ZINC001172977877	961860892	/nfs/dbraw/zinc/86/08/92/961860892.db2.gz	GQHQCSDOTKZEDW-CABCVRRESA-N	1	0	352.479	1.324	20	30		FDEDRO
CC[C@@H]1CCO[C@@H]1C(=O)NC1(CCOC)CC[NH+](CC#CCOC)CC1	ZINC001151167843	961918860	/nfs/dbraw/zinc/91/88/60/961918860.db2.gz	KSADONUVDLYBIM-MSOLQXFVSA-N	1	0	366.502	1.439	20	30		FDEDRO
C=CCOC1CCC(N([C@@H]2CC[NH2+]C2)S(=O)(=O)c2ccccn2)CC1	ZINC001173322774	962004087	/nfs/dbraw/zinc/00/40/87/962004087.db2.gz	LUEWMENLHYAIDJ-AQFXKWCLSA-N	1	0	365.499	1.948	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2CCCC2=O)C3)c1	ZINC001095154830	962113881	/nfs/dbraw/zinc/11/38/81/962113881.db2.gz	TXHOOZVXABXHMB-SQNIBIBYSA-N	1	0	352.438	1.402	20	30		FDEDRO
C[C@@]1([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CCS(=O)(=O)C1	ZINC001173424877	962127447	/nfs/dbraw/zinc/12/74/47/962127447.db2.gz	MTWBFKJGADMGFK-GOSISDBHSA-N	1	0	361.467	1.330	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH+]3CCN(CCCO)CC3)CC2)cc1	ZINC001173429850	962145646	/nfs/dbraw/zinc/14/56/46/962145646.db2.gz	DSUVQDHCZZPYAC-UHFFFAOYSA-N	1	0	356.470	1.163	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+]C[C@@H](O)c3ccncc3)CC2)cc1	ZINC001173429670	962145818	/nfs/dbraw/zinc/14/58/18/962145818.db2.gz	UUDHQHTUIHWDDW-LJQANCHMSA-N	1	0	350.422	1.881	20	30		FDEDRO
CC(C)[N@H+](C)CC1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1	ZINC000774519770	962324956	/nfs/dbraw/zinc/32/49/56/962324956.db2.gz	WSSHKOYCFGNWAT-UHFFFAOYSA-N	1	0	350.488	1.762	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2cnc(C)cn2)C1	ZINC001182669814	962380395	/nfs/dbraw/zinc/38/03/95/962380395.db2.gz	YKCBQGUQCCCSPL-XUMLPFHTSA-N	1	0	358.486	1.950	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCO1	ZINC000774546720	962540103	/nfs/dbraw/zinc/54/01/03/962540103.db2.gz	XMTLFJCZHPCQNC-OALUTQOASA-N	1	0	369.465	1.064	20	30		FDEDRO
CN1CCN(c2cc(NC(=O)COc3ccc(C#N)cc3)ncn2)CC1	ZINC001182914279	962658238	/nfs/dbraw/zinc/65/82/38/962658238.db2.gz	OLNDFUQWDUAHTG-UHFFFAOYSA-N	1	0	352.398	1.118	20	30		FDEDRO
C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@H]1CCC[C@H](n3ncnn3)C1)C2	ZINC001173729439	962671022	/nfs/dbraw/zinc/67/10/22/962671022.db2.gz	FYXRSAZFCXSIKE-BBWFWOEESA-N	1	0	354.458	1.652	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1C[C@@H]2COC[C@]2(CNC(=O)CC(C)C)C1	ZINC001183042761	962754856	/nfs/dbraw/zinc/75/48/56/962754856.db2.gz	CVLMTFVJTPDSNF-XLIONFOSSA-N	1	0	363.502	1.276	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)Nc1ccc(CCS(=O)(=O)NC)cc1	ZINC001183076288	962778591	/nfs/dbraw/zinc/77/85/91/962778591.db2.gz	VNKAYJIIQJVZDE-UHFFFAOYSA-N	1	0	351.472	1.369	20	30		FDEDRO
N#Cc1cc(-n2ccc(=[NH+]CCN3CCOCC3)c(N)c2)ccc1Cl	ZINC001174401560	962824718	/nfs/dbraw/zinc/82/47/18/962824718.db2.gz	GONHRICVUOUPQU-UHFFFAOYSA-N	1	0	357.845	1.817	20	30		FDEDRO
C[C@@H](CCCC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)[C@H]1C[C@H]1C(N)=O	ZINC001175289966	963126710	/nfs/dbraw/zinc/12/67/10/963126710.db2.gz	XIVXDHSSFWIOMT-MAZHCROVSA-N	1	0	360.433	1.583	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH+]2CCN(c3cc(Cl)ccn3)CC2)CCOCC1	ZINC001176288608	963402301	/nfs/dbraw/zinc/40/23/01/963402301.db2.gz	PNXCXKKOBKVOHH-MRXNPFEDSA-N	1	0	364.877	1.928	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)Cc1cccc(NS(C)(=O)=O)c1	ZINC001184012812	963409870	/nfs/dbraw/zinc/40/98/70/963409870.db2.gz	JCDGONKVZMPOQU-INIZCTEOSA-N	1	0	351.472	1.367	20	30		FDEDRO
Cn1cnnc1CC1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1	ZINC001176296882	963421168	/nfs/dbraw/zinc/42/11/68/963421168.db2.gz	ZKQKCYFLHKQJKN-UHFFFAOYSA-N	1	0	352.442	1.970	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F	ZINC001176511447	963458975	/nfs/dbraw/zinc/45/89/75/963458975.db2.gz	IPVRMUZYNZBHTA-VHDGCEQUSA-N	1	0	365.424	1.855	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H]2CN(c3cccc(C#N)c3)C(=O)O2)C1	ZINC001184376378	963562078	/nfs/dbraw/zinc/56/20/78/963562078.db2.gz	RLZSFXCSBLCCQY-YOEHRIQHSA-N	1	0	356.426	1.732	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC)C1	ZINC001111558745	963593399	/nfs/dbraw/zinc/59/33/99/963593399.db2.gz	AEJFRDLAPLDMLD-GJYPPUQNSA-N	1	0	351.491	1.417	20	30		FDEDRO
COc1cc(C)nc(N(C(=O)Cc2ccnc(C#N)c2)C2CC[NH2+]CC2)n1	ZINC001177670828	963922157	/nfs/dbraw/zinc/92/21/57/963922157.db2.gz	JQFJDSVQSNCWJE-UHFFFAOYSA-N	1	0	366.425	1.388	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@H](C)c2ccccc2OC(F)F)CC1	ZINC000774883064	963947043	/nfs/dbraw/zinc/94/70/43/963947043.db2.gz	LBYUKJXLVFIPMV-CQSZACIVSA-N	1	0	351.397	1.716	20	30		FDEDRO
C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@H](C#N)Cc2cccs2)C1	ZINC001177907869	964017252	/nfs/dbraw/zinc/01/72/52/964017252.db2.gz	GGXBGHHCNVKZCJ-GJZGRUSLSA-N	1	0	357.483	1.847	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCc2cccc(C)c2)C1	ZINC001185749163	964086306	/nfs/dbraw/zinc/08/63/06/964086306.db2.gz	CVBQYJOKSHQSGP-QRVBRYPASA-N	1	0	371.481	1.393	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3n(c1)CCCC3)C2	ZINC001110216575	964103007	/nfs/dbraw/zinc/10/30/07/964103007.db2.gz	USHNLKFCTAVQNI-VLQPXKRTSA-N	1	0	368.481	1.297	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](n2cc(C[NH2+]CC(C)C)nn2)C1	ZINC001186008008	964250534	/nfs/dbraw/zinc/25/05/34/964250534.db2.gz	MXYIIEPCHHPXAE-KSZLIROESA-N	1	0	361.490	1.778	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cn2cnnn2)C1	ZINC001186166541	964352875	/nfs/dbraw/zinc/35/28/75/964352875.db2.gz	WTSWZZDNNYALSP-SJLPKXTDSA-N	1	0	370.432	1.057	20	30		FDEDRO
C[NH+]1CCC(CCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C#N)CC1	ZINC001186213238	964377593	/nfs/dbraw/zinc/37/75/93/964377593.db2.gz	OPDCQFDZJWRMKV-UHFFFAOYSA-N	1	0	352.416	1.477	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC12CCOCC2	ZINC001186402273	964473791	/nfs/dbraw/zinc/47/37/91/964473791.db2.gz	KCBPYOWDMIORRW-BRWVUGGUSA-N	1	0	358.486	1.934	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN2[C@@H]3CC[C@H]2[C@H](NC(=O)CCOCC)C3)c1	ZINC001110381539	964530258	/nfs/dbraw/zinc/53/02/58/964530258.db2.gz	LWEUYWDYEMBTSF-QRVBRYPASA-N	1	0	369.465	1.755	20	30		FDEDRO
C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)CC12CCOCC2	ZINC001186505788	964533917	/nfs/dbraw/zinc/53/39/17/964533917.db2.gz	WGLBKWKFUHQXGD-RCCFBDPRSA-N	1	0	370.497	1.392	20	30		FDEDRO
CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N(CC)CCC#N)[C@@H]1C	ZINC001178926133	964539245	/nfs/dbraw/zinc/53/92/45/964539245.db2.gz	QGPJFOBGBWXVFB-DFGXFYAUSA-N	1	0	364.490	1.143	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H](C[NH2+]CCO)C2(C1)CCOCC2	ZINC001186530956	964549955	/nfs/dbraw/zinc/54/99/55/964549955.db2.gz	SCVDYDJFTLWKRX-BZSNNMDCSA-N	1	0	366.502	1.195	20	30		FDEDRO
C=CCOCC[NH2+]CCCCCCNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1	ZINC001179053615	964651296	/nfs/dbraw/zinc/65/12/96/964651296.db2.gz	IEBYUPKDSGYIIV-SJORKVTESA-N	1	0	369.506	1.268	20	30		FDEDRO
CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N(CC)CCC#N)[C@@H]1C	ZINC001179197087	964762064	/nfs/dbraw/zinc/76/20/64/964762064.db2.gz	MEJSESPXUBOJQI-YVSFHVDLSA-N	1	0	364.490	1.143	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2C[C@H]2Cc2ccccc2)[C@H]1C	ZINC001179197071	964762556	/nfs/dbraw/zinc/76/25/56/964762556.db2.gz	LDAUVIJSCDUMOT-RNQOJCNYSA-N	1	0	367.493	1.584	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCc1ccco1	ZINC001110384935	964781612	/nfs/dbraw/zinc/78/16/12/964781612.db2.gz	FJDHGSVMOPNEOC-AHCXZYCDSA-N	1	0	364.442	1.081	20	30		FDEDRO
C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1	ZINC001179572742	964903517	/nfs/dbraw/zinc/90/35/17/964903517.db2.gz	BFCVSFKMAHECHZ-ZWKOTPCHSA-N	1	0	365.518	1.999	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2OCC[C@H]2C)[C@H]1C	ZINC001179557913	964917187	/nfs/dbraw/zinc/91/71/87/964917187.db2.gz	UPJJNEGRNHXGLK-CVYDXHPNSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+]CC(=O)NC(C)(C)C	ZINC001179630278	964939788	/nfs/dbraw/zinc/93/97/88/964939788.db2.gz	OCQURDMMLPQXPR-CVEARBPZSA-N	1	0	353.507	1.758	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)[C@H]1C	ZINC001179689136	964944624	/nfs/dbraw/zinc/94/46/24/964944624.db2.gz	UAFVCNKJSUPTJW-FZDIXFNVSA-N	1	0	369.465	1.127	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C)c2)[C@H]1C	ZINC001179691960	964945299	/nfs/dbraw/zinc/94/52/99/964945299.db2.gz	HALYVEWMJWJBRP-KANFNMMFSA-N	1	0	353.466	1.427	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCCCCC[NH2+]Cc1ncnn1C	ZINC001179781099	964975799	/nfs/dbraw/zinc/97/57/99/964975799.db2.gz	KAVFTAZHDUYRHX-WMZOPIPTSA-N	1	0	363.506	1.953	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCCCC[NH2+]CC(=O)N1CCCC1	ZINC001179797066	964991785	/nfs/dbraw/zinc/99/17/85/964991785.db2.gz	JXTRTQWWXWHERO-HKUYNNGSSA-N	1	0	365.518	1.856	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2C[NH+]3CCC2CC3)c1	ZINC001179893456	965019365	/nfs/dbraw/zinc/01/93/65/965019365.db2.gz	JSJDSTGCGZXZJG-INIZCTEOSA-N	1	0	363.483	1.223	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(CC[NH+](C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC001179896034	965019943	/nfs/dbraw/zinc/01/99/43/965019943.db2.gz	NELJJXMNZKUPMJ-GJZGRUSLSA-N	1	0	352.479	1.936	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]32)c1	ZINC001187455915	965368636	/nfs/dbraw/zinc/36/86/36/965368636.db2.gz	KDGIBMZQNYVBQA-OUCADQQQSA-N	1	0	356.348	1.346	20	30		FDEDRO
C=CCSCC(=O)NC[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C1	ZINC001180560944	965400001	/nfs/dbraw/zinc/40/00/01/965400001.db2.gz	LKWGHBOMYNINSZ-CABCVRRESA-N	1	0	369.531	1.963	20	30		FDEDRO
CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1	ZINC001187547467	965492512	/nfs/dbraw/zinc/49/25/12/965492512.db2.gz	WGJIHIIAHBUHHN-JKIFEVAISA-N	1	0	357.458	1.288	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCC(F)(F)C3)C[C@H]21	ZINC001187591923	965511647	/nfs/dbraw/zinc/51/16/47/965511647.db2.gz	YWXMRFYPNBCAOP-SOUVJXGZSA-N	1	0	353.413	1.094	20	30		FDEDRO
C#CCCCCC(=O)N1CC[C@H]2C[N@@H+](CCn3c(C)csc3=O)C[C@H]21	ZINC001187591776	965512390	/nfs/dbraw/zinc/51/23/90/965512390.db2.gz	SXRMNWJIOGIQOH-DLBZAZTESA-N	1	0	361.511	1.945	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@H]21	ZINC001187605339	965552669	/nfs/dbraw/zinc/55/26/69/965552669.db2.gz	FQAXRTUIIGMPOC-DOTOQJQBSA-N	1	0	359.857	1.512	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CC[C@H]2CN(CC(=O)N(C)c3ccccc3)C[C@H]21	ZINC001187763726	965730854	/nfs/dbraw/zinc/73/08/54/965730854.db2.gz	TWZSGHKVPOIYDR-YRISNDGFSA-N	1	0	371.481	1.509	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3cn(C(C)C)nc3C)C[C@H]21	ZINC001187864590	965807914	/nfs/dbraw/zinc/80/79/14/965807914.db2.gz	DGQHKMBDYZNCFC-JENIJYKNSA-N	1	0	358.486	1.843	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(COC)cc3)C[C@H]21	ZINC001187882337	965883586	/nfs/dbraw/zinc/88/35/86/965883586.db2.gz	NKGALQPQQSXZQF-FFZOFVMBSA-N	1	0	356.466	1.904	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CCNC(=O)COC)[C@@H]2C1	ZINC001188118646	966037624	/nfs/dbraw/zinc/03/76/24/966037624.db2.gz	JNOZFDOGTAOJTE-DLBZAZTESA-N	1	0	351.491	1.418	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCNC(=O)COC)[C@@H]2C1	ZINC001188118585	966038165	/nfs/dbraw/zinc/03/81/65/966038165.db2.gz	HHHWNHYYBCAVPO-DLBZAZTESA-N	1	0	353.507	1.642	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(c3)OCC(=O)N4)[C@@H]2C1	ZINC001188212402	966126697	/nfs/dbraw/zinc/12/66/97/966126697.db2.gz	IGQKKMGEXYJNBV-DOTOQJQBSA-N	1	0	371.437	1.366	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4ccc(OC)cc43)[C@@H]2C1	ZINC001188219510	966134135	/nfs/dbraw/zinc/13/41/35/966134135.db2.gz	QSOVQSSDARIJNP-FBBABVLZSA-N	1	0	368.477	1.908	20	30		FDEDRO
C=C(C)C(=O)NCCCNC(=O)c1ccccc1CN1CC[NH+](C)CC1	ZINC001188355516	966270280	/nfs/dbraw/zinc/27/02/80/966270280.db2.gz	FFLNFHAJFKAJQV-UHFFFAOYSA-N	1	0	358.486	1.246	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(-n4ccnc4)n3)[C@@H]2C1	ZINC001188405466	966298677	/nfs/dbraw/zinc/29/86/77/966298677.db2.gz	HFHRHFNWNZIPGA-FUHWJXTLSA-N	1	0	367.453	1.616	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3cncc(OC)c3)[C@@H]2C1	ZINC001188502722	966379339	/nfs/dbraw/zinc/37/93/39/966379339.db2.gz	RPJASSUHUXJYJX-PKOBYXMFSA-N	1	0	357.454	1.205	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3ncc4cc(C)cnc43)[C@@H]2C1	ZINC001188568833	966401851	/nfs/dbraw/zinc/40/18/51/966401851.db2.gz	VCNNGGARKYLDNE-FUHWJXTLSA-N	1	0	369.469	1.475	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(Cn4ccnn4)o3)[C@@H]2C1	ZINC001188630579	966477833	/nfs/dbraw/zinc/47/78/33/966477833.db2.gz	ROQWGTLABDUFQD-DOTOQJQBSA-N	1	0	371.441	1.268	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cnnn4)cn3)[C@@H]2C1	ZINC001188635859	966481007	/nfs/dbraw/zinc/48/10/07/966481007.db2.gz	AWCSPBWEUSVGMB-WMLDXEAASA-N	1	0	353.430	1.170	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC(C)(C)COC)[C@@H]2C1	ZINC001188636977	966483898	/nfs/dbraw/zinc/48/38/98/966483898.db2.gz	ZIRPDOSCAAWQNG-OWCLPIDISA-N	1	0	351.491	1.273	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CCN(C(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000957632164	1013659344	/nfs/dbraw/zinc/65/93/44/1013659344.db2.gz	FAJQUSBQECNLSW-UWVAXJGDSA-N	1	0	368.437	1.646	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3CN(CC(=O)N[C@H](C)CCC)C[C@H]32)c1	ZINC001189076929	966751530	/nfs/dbraw/zinc/75/15/30/966751530.db2.gz	FBWMBDZOXYHEAW-HHXXYDBFSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3C[N@H+](CCCO[C@H]4CCOC4)C[C@H]32)c1	ZINC001189077189	966752936	/nfs/dbraw/zinc/75/29/36/966752936.db2.gz	LNLGSMFVXFWRJX-YSIASYRMSA-N	1	0	369.465	1.405	20	30		FDEDRO
COCCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001189302831	966881659	/nfs/dbraw/zinc/88/16/59/966881659.db2.gz	HDHZITTYGFUXSR-ZYSHUDEJSA-N	1	0	357.454	1.642	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc4c3ccn4C)[C@@H]2C1	ZINC001189433321	966976750	/nfs/dbraw/zinc/97/67/50/966976750.db2.gz	NTPKIKKYCLXRBI-OXJNMPFZSA-N	1	0	351.450	1.974	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccccc3NC(C)=O)[C@@H]2C1	ZINC001189444528	966993596	/nfs/dbraw/zinc/99/35/96/966993596.db2.gz	FWIXIPUCVDJUMU-AZUAARDMSA-N	1	0	369.465	1.370	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C)nc4c3cnn4C)[C@@H]2C1	ZINC001189537007	967057700	/nfs/dbraw/zinc/05/77/00/967057700.db2.gz	ASPOELFDUXVCGR-MAUKXSAKSA-N	1	0	367.453	1.073	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC(=O)NCC(F)(F)F)[C@@H]2C1	ZINC001189597691	967067631	/nfs/dbraw/zinc/06/76/31/967067631.db2.gz	MCEQZAVBDJKMEF-HZSPNIEDSA-N	1	0	361.408	1.942	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(CCOCC)c3)[C@@H]2C1	ZINC001189569436	967078011	/nfs/dbraw/zinc/07/80/11/967078011.db2.gz	VDIANFQAJNEHSO-FUHWJXTLSA-N	1	0	362.474	1.269	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(c3)CCN4C)[C@@H]2C1	ZINC001189652462	967163444	/nfs/dbraw/zinc/16/34/44/967163444.db2.gz	HHXJSROCBQJRFT-AZUAARDMSA-N	1	0	353.466	1.475	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)CC(=O)NCC4CC4)[C@@H]3C2)c1	ZINC001189723821	967179024	/nfs/dbraw/zinc/17/90/24/967179024.db2.gz	JGNVHFXYBPWLMN-RBUKOAKNSA-N	1	0	366.465	1.507	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCCOC3CCOCC3)[C@@H]2C1	ZINC001189748319	967219179	/nfs/dbraw/zinc/21/91/79/967219179.db2.gz	GMDRFDXAFUINES-PKOBYXMFSA-N	1	0	364.486	1.145	20	30		FDEDRO
C=CC[C@H]1CCC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1	ZINC000852411057	967282452	/nfs/dbraw/zinc/28/24/52/967282452.db2.gz	RPKRGMJJIYMAEC-HNNXBMFYSA-N	1	0	362.474	1.951	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]32)nc1	ZINC001189844088	967345192	/nfs/dbraw/zinc/34/51/92/967345192.db2.gz	PORBOAPYYPLTHU-HHXXYDBFSA-N	1	0	368.481	1.465	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1C[C@@H]2CCN(C(=O)C[N@@H+](C)CCC)[C@@H]2C1	ZINC001189899039	967416430	/nfs/dbraw/zinc/41/64/30/967416430.db2.gz	VWXKHURTOTXDKX-ZWKOTPCHSA-N	1	0	364.534	1.286	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H]2CCc3ncnn32)CCC1	ZINC001110652566	967465455	/nfs/dbraw/zinc/46/54/55/967465455.db2.gz	KFUMMARGVXDNTR-TWMKSMIVSA-N	1	0	353.470	1.681	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)OCCc3ccccc3)[C@@H]2C1	ZINC001189992741	967484106	/nfs/dbraw/zinc/48/41/06/967484106.db2.gz	RLIKTIASBNQVGZ-SESVDKBCSA-N	1	0	370.493	1.817	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CC[C@H](OCC[NH+](CC)CC)C1)C1CCOCC1	ZINC000852644478	967496126	/nfs/dbraw/zinc/49/61/26/967496126.db2.gz	PKFSFKUMAUPFPS-ZWKOTPCHSA-N	1	0	351.491	1.557	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1)C1CCOCC1	ZINC000852646714	967497944	/nfs/dbraw/zinc/49/79/44/967497944.db2.gz	SABPHAGVSVIMED-QGZVFWFLSA-N	1	0	358.442	1.350	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCC(NC(=O)c2ccc(F)cc2)CC1	ZINC000852810973	967624270	/nfs/dbraw/zinc/62/42/70/967624270.db2.gz	ZQIHWHVINCIPNR-UHFFFAOYSA-N	1	0	357.429	1.550	20	30		FDEDRO
COc1ccc(CCC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c(Br)c1	ZINC000852827308	967638743	/nfs/dbraw/zinc/63/87/43/967638743.db2.gz	GFGWNDDEMKQEST-FZMZJTMJSA-N	1	0	352.232	1.618	20	30		FDEDRO
COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1	ZINC001190229882	967644650	/nfs/dbraw/zinc/64/46/50/967644650.db2.gz	PLHKSOASCLPIQJ-QRVBRYPASA-N	1	0	357.454	1.342	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N[C@H]1CCN(CCCc2ccccc2)C1=O	ZINC000852850505	967656322	/nfs/dbraw/zinc/65/63/22/967656322.db2.gz	WJXGRBRMFJRGNG-IBGZPJMESA-N	1	0	353.466	1.339	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1	ZINC000852858121	967662739	/nfs/dbraw/zinc/66/27/39/967662739.db2.gz	QLSQLSJUVBPBPB-UHFFFAOYSA-N	1	0	360.845	1.218	20	30		FDEDRO
CC(C)[C@H](NC(=O)C#CC1CC[NH2+]CC1)c1nc(-c2ccncc2)no1	ZINC000852864427	967669430	/nfs/dbraw/zinc/66/94/30/967669430.db2.gz	VIMZCLYXGSISIU-KRWDZBQOSA-N	1	0	353.426	1.948	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCNC(=O)CC1	ZINC001110425079	967745369	/nfs/dbraw/zinc/74/53/69/967745369.db2.gz	FNCMVTFIKLXGLZ-TVFCKZIOSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCC(c2nccc(-c3cnn(C)c3)n2)CC1	ZINC000852996766	967765104	/nfs/dbraw/zinc/76/51/04/967765104.db2.gz	XKFPKDPIHZXBAN-UHFFFAOYSA-N	1	0	354.458	1.701	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2	ZINC001110661414	967839570	/nfs/dbraw/zinc/83/95/70/967839570.db2.gz	RVYFTPRGWFJANA-YRXWBPOGSA-N	1	0	374.529	1.417	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@H]21	ZINC001190430216	967841426	/nfs/dbraw/zinc/84/14/26/967841426.db2.gz	ACTVOZODLVOGIH-GOEBONIOSA-N	1	0	352.866	1.662	20	30		FDEDRO
CCNc1nc(N=NCc2ccnn2-c2cc[nH+]cc2)nc(NCC)n1	ZINC000853266472	967950630	/nfs/dbraw/zinc/95/06/30/967950630.db2.gz	GFHFMUABSIWUIR-UHFFFAOYSA-N	1	0	352.406	1.762	20	30		FDEDRO
C#CCCN(CCOC)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1	ZINC000853273176	967953819	/nfs/dbraw/zinc/95/38/19/967953819.db2.gz	CAFLFBMOEYAQLC-UHFFFAOYSA-N	1	0	359.474	1.015	20	30		FDEDRO
C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC001190923301	968168749	/nfs/dbraw/zinc/16/87/49/968168749.db2.gz	YKUWPQCAAGTHNG-MJBXVCDLSA-N	1	0	366.380	1.068	20	30		FDEDRO
CC[NH+](CC)C[C@@H]1CN(S(=O)(=O)c2cc(C#N)ccc2Cl)CCO1	ZINC001190962641	968203172	/nfs/dbraw/zinc/20/31/72/968203172.db2.gz	JRRLRQQOJSGVRW-CQSZACIVSA-N	1	0	371.890	1.943	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1	ZINC000853652191	968226274	/nfs/dbraw/zinc/22/62/74/968226274.db2.gz	DAGBWVZPQFWBGA-QGZVFWFLSA-N	1	0	358.442	1.330	20	30		FDEDRO
C#CCCN(CCOC)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1	ZINC000853873102	968387423	/nfs/dbraw/zinc/38/74/23/968387423.db2.gz	TVYVAJXKHTZYOK-ROUUACIJSA-N	1	0	351.491	1.436	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1	ZINC001191583519	968593978	/nfs/dbraw/zinc/59/39/78/968593978.db2.gz	ZSWYJTOVOTZHHA-MSOLQXFVSA-N	1	0	362.499	1.673	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](CC2CCC(C(F)(F)F)CC2)C[C@H]1O	ZINC001191771007	968738143	/nfs/dbraw/zinc/73/81/43/968738143.db2.gz	JLYOUNLJAFPXGE-NEXFUWMNSA-N	1	0	364.408	1.719	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H](CNc2ccc(C#N)nn2)C2CCCC2)CC[N@@H+]1C	ZINC001110684115	968791414	/nfs/dbraw/zinc/79/14/14/968791414.db2.gz	XBRCWSNXGMMSBU-XYPHTWIQSA-N	1	0	356.474	1.775	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H](CNc2ccnc(C#N)n2)C2CCCC2)CC[N@@H+]1C	ZINC001110684008	968838797	/nfs/dbraw/zinc/83/87/97/968838797.db2.gz	SUSJXVIBWQAAFY-BMFZPTHFSA-N	1	0	356.474	1.197	20	30		FDEDRO
CC[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)CCNC1=O	ZINC001110686039	968846767	/nfs/dbraw/zinc/84/67/67/968846767.db2.gz	JYJIEHYRXGYIEW-WIRSXHRWSA-N	1	0	366.465	1.696	20	30		FDEDRO
COc1cc(C#N)ccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1	ZINC001192235964	969022734	/nfs/dbraw/zinc/02/27/34/969022734.db2.gz	LPTNGTKCQWQYNE-UHFFFAOYSA-N	1	0	351.410	1.966	20	30		FDEDRO
Cc1ncc(C(=O)N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)cc1C#N	ZINC001192300242	969027762	/nfs/dbraw/zinc/02/77/62/969027762.db2.gz	POQIFVQXCVPBFX-UHFFFAOYSA-N	1	0	364.409	1.639	20	30		FDEDRO
CC(C)C[C@H](NC(=O)C#Cc1cccs1)C(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000854632248	969037212	/nfs/dbraw/zinc/03/72/12/969037212.db2.gz	HLVGPIBAASNLQV-RDJZCZTQSA-N	1	0	361.511	1.793	20	30		FDEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)c1cnc(C)c(C#N)c1)CC2	ZINC001192285177	969043585	/nfs/dbraw/zinc/04/35/85/969043585.db2.gz	LIOLTWHZAGIOFO-UHFFFAOYSA-N	1	0	355.442	1.078	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCCOc2ccccc2C)C[C@H]1O	ZINC001192548030	969158823	/nfs/dbraw/zinc/15/88/23/969158823.db2.gz	XSRWFWSBCFTUDM-MBOZVWFJSA-N	1	0	362.470	1.252	20	30		FDEDRO
CCN(CCC#N)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)n1cccc1)C2	ZINC001110449787	969277542	/nfs/dbraw/zinc/27/75/42/969277542.db2.gz	CGOMFIXVNPMUQF-TVFCKZIOSA-N	1	0	371.485	1.533	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CCOCCOC)C1	ZINC001192777284	969282207	/nfs/dbraw/zinc/28/22/07/969282207.db2.gz	BHFXOGQMWHRJFX-BZSNNMDCSA-N	1	0	354.491	1.553	20	30		FDEDRO
COCC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2c2ccccc2)C1	ZINC001192795439	969303218	/nfs/dbraw/zinc/30/32/18/969303218.db2.gz	YWMLPSRYZIUZGK-XUVXKRRUSA-N	1	0	356.466	1.742	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N[C@@H]2C[N@H+](CCC[C@H](C)O)C[C@H]2O)cc1	ZINC001192899133	969353285	/nfs/dbraw/zinc/35/32/85/969353285.db2.gz	IUWJCYMYWOKOMP-KFKAGJAMSA-N	1	0	360.454	1.025	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CCOC)c2C)C1	ZINC001192962087	969378214	/nfs/dbraw/zinc/37/82/14/969378214.db2.gz	KSJMEBAEXXCIPE-QZTJIDSGSA-N	1	0	366.506	1.583	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC(F)(F)F)c2)C1	ZINC001193791684	969851289	/nfs/dbraw/zinc/85/12/89/969851289.db2.gz	OPSCPEGHORFFTL-IACUBPJLSA-N	1	0	360.380	1.575	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC/C=C/c2ccccc2)C[C@H]1O	ZINC001193849833	969895887	/nfs/dbraw/zinc/89/58/87/969895887.db2.gz	OXQPIUVQBZDELL-HIUNTZKUSA-N	1	0	367.493	1.349	20	30		FDEDRO
CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)C1	ZINC000776752977	969929363	/nfs/dbraw/zinc/92/93/63/969929363.db2.gz	PZXVDKRQHYMHCW-XOKHGSTOSA-N	1	0	358.442	1.931	20	30		FDEDRO
C=C[C@H]1C[C@@]1(NC(=O)c1cncc(N2CC[NH+](C)CC2)c1)C(=O)OCC	ZINC001193951089	969953408	/nfs/dbraw/zinc/95/34/08/969953408.db2.gz	BSKJFGWBTUHWRC-KXBFYZLASA-N	1	0	358.442	1.071	20	30		FDEDRO
C=C[C@H](O)C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C	ZINC000854988945	970085491	/nfs/dbraw/zinc/08/54/91/970085491.db2.gz	QILBRBUMZPFJPP-AWEZNQCLSA-N	1	0	356.264	1.932	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccc(OCC)cc2)C1	ZINC001194352911	970121809	/nfs/dbraw/zinc/12/18/09/970121809.db2.gz	ZPQRUNPIWUEMKJ-RTBURBONSA-N	1	0	362.470	1.382	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)Nc1nn(C)c(C)c1CNC(=O)OC(C)(C)C	ZINC000855123501	970164288	/nfs/dbraw/zinc/16/42/88/970164288.db2.gz	NXHZIUYEAWSUEC-UHFFFAOYSA-N	1	0	351.451	1.810	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cc1	ZINC000855166587	970192103	/nfs/dbraw/zinc/19/21/03/970192103.db2.gz	MFNRDBNXXIXJQY-OAHLLOKOSA-N	1	0	363.483	1.201	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)Nc2ccc(OC)cc2)C1	ZINC001194491866	970215678	/nfs/dbraw/zinc/21/56/78/970215678.db2.gz	BUIDPLRLUCPYPJ-IAOVAPTHSA-N	1	0	361.442	1.150	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)C1	ZINC001194493841	970217138	/nfs/dbraw/zinc/21/71/38/970217138.db2.gz	UNVZPVKSRCSAHI-DAXOMENPSA-N	1	0	365.861	1.795	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H](F)C(C)C)C[C@H]2C)CC1	ZINC000957865849	1013988666	/nfs/dbraw/zinc/98/86/66/1013988666.db2.gz	PTOXVKIFTAHHQP-OIISXLGYSA-N	1	0	351.466	1.289	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc3c2C(=O)NCCC3)C1	ZINC001194865744	970483434	/nfs/dbraw/zinc/48/34/34/970483434.db2.gz	RBJHXMWJXFBBJT-BPLDGKMQSA-N	1	0	361.442	1.085	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCc1cccc(C)c1	ZINC001110462803	970507833	/nfs/dbraw/zinc/50/78/33/970507833.db2.gz	DMMXBHUAHUNOJJ-AQNXPRMDSA-N	1	0	367.493	1.789	20	30		FDEDRO
CC[C@H](CC#N)[NH2+]C[C@H](O)COc1cn(-c2ccccc2)nc1C(=O)OC	ZINC001194940808	970538791	/nfs/dbraw/zinc/53/87/91/970538791.db2.gz	AONITLZBGPUCIM-ZBFHGGJFSA-N	1	0	372.425	1.680	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCc2ccccc21	ZINC001110465828	970667913	/nfs/dbraw/zinc/66/79/13/970667913.db2.gz	VNPFCBGKQOQTCC-YSHGAJCASA-N	1	0	351.450	1.535	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccc(Cl)cc1	ZINC001110465877	970668550	/nfs/dbraw/zinc/66/85/50/970668550.db2.gz	XOBORRZPTACSNA-KURKYZTESA-N	1	0	373.884	1.744	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1	ZINC000855809833	970696550	/nfs/dbraw/zinc/69/65/50/970696550.db2.gz	NBDFBBVBALNMGW-ORIGZDJFSA-N	1	0	360.458	1.426	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCN(C(=O)C(C)C)CC2)C1	ZINC001195181788	970728568	/nfs/dbraw/zinc/72/85/68/970728568.db2.gz	NVXWSRIZUJXVDC-KBAYOESNSA-N	1	0	365.518	1.397	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1	ZINC000957954930	1014045039	/nfs/dbraw/zinc/04/50/39/1014045039.db2.gz	AVTPNCAELMBGPN-RVKKMQEKSA-N	1	0	371.485	1.585	20	30		FDEDRO
C#C[C@H](NCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@H]1CCCO1	ZINC000775805303	972608660	/nfs/dbraw/zinc/60/86/60/972608660.db2.gz	FULGHRHJWYMRJV-LEWJYISDSA-N	1	0	369.509	1.846	20	30		FDEDRO
CC(=[NH+]N[C@@H]1CCCS(=O)(=O)C1)c1cccc(N2CCOCC2)c1	ZINC000863129709	972672325	/nfs/dbraw/zinc/67/23/25/972672325.db2.gz	MSBPNIJQFQBJRB-MRXNPFEDSA-N	1	0	351.472	1.414	20	30		FDEDRO
CC(C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OCC#N)cc1	ZINC001110502043	972797969	/nfs/dbraw/zinc/79/79/69/972797969.db2.gz	DISCMKJDHIFUCJ-NXHRZFHOSA-N	1	0	357.454	1.971	20	30		FDEDRO
CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1	ZINC000119420865	972845274	/nfs/dbraw/zinc/84/52/74/972845274.db2.gz	DSPJKSUBTPKDCP-ZDUSSCGKSA-N	1	0	362.405	1.467	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3nnn(C)c3c2)C1	ZINC001198186743	972903864	/nfs/dbraw/zinc/90/38/64/972903864.db2.gz	SVRZNJCONPRRHA-SJLPKXTDSA-N	1	0	357.458	1.490	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]Cc2ccc(N3CCCC3=O)cc2)CCOCC1	ZINC000863546383	973001567	/nfs/dbraw/zinc/00/15/67/973001567.db2.gz	CLQVYGRYUYUCIE-SFHVURJKSA-N	1	0	357.454	1.974	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]C1CCN(C[C@H]2CCCO2)CC1	ZINC000863550895	973007134	/nfs/dbraw/zinc/00/71/34/973007134.db2.gz	CESOKMFEHPVAOT-RBUKOAKNSA-N	1	0	359.470	1.531	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]CCS(=O)(=O)Cc2ccccc2)CCOCC1	ZINC000863550992	973007173	/nfs/dbraw/zinc/00/71/73/973007173.db2.gz	HIRDASZGKYBBLY-QGZVFWFLSA-N	1	0	366.483	1.262	20	30		FDEDRO
COc1cc(OC)cc([C@H](O)C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)c1	ZINC000863559600	973016798	/nfs/dbraw/zinc/01/67/98/973016798.db2.gz	QTQZNZLHXVHMMX-MAUKXSAKSA-N	1	0	364.442	1.398	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCCCNC(C)=O)C1	ZINC001198393146	973106067	/nfs/dbraw/zinc/10/60/67/973106067.db2.gz	SHWLFEDGRYBCNM-QZTJIDSGSA-N	1	0	353.507	1.591	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1	ZINC000645153544	1014087178	/nfs/dbraw/zinc/08/71/78/1014087178.db2.gz	FEEBCVJPFMWRAH-IBGZPJMESA-N	1	0	358.486	1.008	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccccc2F)C1	ZINC001198639167	973343130	/nfs/dbraw/zinc/34/31/30/973343130.db2.gz	UULXNDXLOJBMFD-KBRIMQKVSA-N	1	0	363.433	1.072	20	30		FDEDRO
C=C[C@H](CC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O)c1ccccc1	ZINC001198941112	973718177	/nfs/dbraw/zinc/71/81/77/973718177.db2.gz	YMDSOSMUYAVPMY-MISYRCLQSA-N	1	0	358.482	1.934	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(C(=O)CCC)C2)C1	ZINC001198982766	973778779	/nfs/dbraw/zinc/77/87/79/973778779.db2.gz	MPCHYLXWODMRQA-GVDBMIGSSA-N	1	0	351.491	1.153	20	30		FDEDRO
O=C(CC#Cc1ccccc1)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1O	ZINC001198944816	973784722	/nfs/dbraw/zinc/78/47/22/973784722.db2.gz	ONRBLLWJKFNEDG-NHCUHLMSSA-N	1	0	370.493	1.796	20	30		FDEDRO
CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC#Cc2ccccc2)C1)C1CCCC1	ZINC001198945032	973787295	/nfs/dbraw/zinc/78/72/95/973787295.db2.gz	UCIJKYHYBUNNEP-NJDAHSKKSA-N	1	0	370.493	1.795	20	30		FDEDRO
CCO[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)[C@@H]1CCOC1	ZINC000865040536	974034848	/nfs/dbraw/zinc/03/48/48/974034848.db2.gz	RULPUFSPNGUZMM-MOPGFXCFSA-N	1	0	359.470	1.890	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N(C)C(C)=O)cc2)C1	ZINC001199246156	974068065	/nfs/dbraw/zinc/06/80/65/974068065.db2.gz	YAMQFVMEQMRWKS-NIKGAXFTSA-N	1	0	359.470	1.799	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(NC(=O)NC)cc2)C1	ZINC001199253772	974081106	/nfs/dbraw/zinc/08/11/06/974081106.db2.gz	XLDHDDZUJGHHOW-KBRIMQKVSA-N	1	0	360.458	1.568	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCCc2cccc(OC)c2)C[C@H]1O	ZINC001199318669	974186882	/nfs/dbraw/zinc/18/68/82/974186882.db2.gz	ZERQZBBNGAGEFN-KFKAGJAMSA-N	1	0	362.470	1.380	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1O	ZINC001199331595	974198197	/nfs/dbraw/zinc/19/81/97/974198197.db2.gz	QHKYYJYLMLAAHV-KFKAGJAMSA-N	1	0	370.453	1.125	20	30		FDEDRO
CC(C)(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCc1ccco1	ZINC001110531590	974210124	/nfs/dbraw/zinc/21/01/24/974210124.db2.gz	GCOADXNMNKGBCL-RWQQGDIJSA-N	1	0	374.481	1.928	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)c2ccccc2OC)C1	ZINC001199465795	974278919	/nfs/dbraw/zinc/27/89/19/974278919.db2.gz	DKQSYQQWYKGUSU-IAGOWNOFSA-N	1	0	362.470	1.337	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]CCS(=O)(=O)NCc1ccccc1	ZINC000865432154	974294003	/nfs/dbraw/zinc/29/40/03/974294003.db2.gz	XPDBJLHIRRGOAB-UHFFFAOYSA-N	1	0	372.494	1.833	20	30		FDEDRO
C#CC[C@H](CC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)c1ccccc1	ZINC001199506696	974328635	/nfs/dbraw/zinc/32/86/35/974328635.db2.gz	WHIIBASMMWPQQU-NJDAHSKKSA-N	1	0	370.493	1.772	20	30		FDEDRO
N#Cc1cnc(C(=O)N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)cn1	ZINC001199664212	974449866	/nfs/dbraw/zinc/44/98/66/974449866.db2.gz	AJLLWJGGKOLRIL-XCRHUMRWSA-N	1	0	364.409	1.157	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)[nH]1	ZINC001199677607	974457204	/nfs/dbraw/zinc/45/72/04/974457204.db2.gz	AOMUPXBRVQMMBV-SJORKVTESA-N	1	0	351.410	1.397	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)CC1	ZINC000776056071	974694183	/nfs/dbraw/zinc/69/41/83/974694183.db2.gz	KILYFTBBRJWFBG-CQSZACIVSA-N	1	0	367.475	1.015	20	30		FDEDRO
C=CCCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCCO1	ZINC001201042884	974956267	/nfs/dbraw/zinc/95/62/67/974956267.db2.gz	OVSMONSWWOKTCC-XLAORIBOSA-N	1	0	352.475	1.211	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N2Cc3nccn3C[C@H](C[NH+](C)C)C2)cc1C#N	ZINC001201304332	975001021	/nfs/dbraw/zinc/00/10/21/975001021.db2.gz	QDRNLSWCDVPWLN-HNNXBMFYSA-N	1	0	373.482	1.446	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2CC)CCCO1	ZINC001201446104	975063482	/nfs/dbraw/zinc/06/34/82/975063482.db2.gz	CHTZENCNAIUJKS-KZNAEPCWSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CCCOCC)C1	ZINC001201612537	975098047	/nfs/dbraw/zinc/09/80/47/975098047.db2.gz	QJPYGTCTXXHVMP-QYZOEREBSA-N	1	0	368.518	1.991	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C1CCN(C(=O)C[C@@H]2C[C@H]2C2CC2)CC1	ZINC001201700858	975123055	/nfs/dbraw/zinc/12/30/55/975123055.db2.gz	FTEJRJUOYSWGAF-WMZOPIPTSA-N	1	0	360.502	1.765	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C1CCN(C(=O)C[C@@H]2C[C@H]2Cc2ccccc2)CC1	ZINC001201744073	975138383	/nfs/dbraw/zinc/13/83/83/975138383.db2.gz	KXDDELGOLUXEFR-MSOLQXFVSA-N	1	0	368.481	1.476	20	30		FDEDRO
C#C[C@H](NC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1)[C@@H]1CCCO1	ZINC000776225987	975192572	/nfs/dbraw/zinc/19/25/72/975192572.db2.gz	FKLBNYVULLBFIC-PMACEKPBSA-N	1	0	370.497	1.911	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)n1	ZINC000847445873	975634512	/nfs/dbraw/zinc/63/45/12/975634512.db2.gz	IENCZRWJCAOFGJ-RTBURBONSA-N	1	0	373.501	1.691	20	30		FDEDRO
C[NH+](C)CCn1ccc(C(=O)NC2CCN(c3ccccc3C#N)CC2)n1	ZINC000847524098	975775368	/nfs/dbraw/zinc/77/53/68/975775368.db2.gz	CKZUCMWTOPANPN-UHFFFAOYSA-N	1	0	366.469	1.715	20	30		FDEDRO
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1	ZINC000866668603	975891229	/nfs/dbraw/zinc/89/12/29/975891229.db2.gz	SPAOQYBFBFNDJY-RBUKOAKNSA-N	1	0	357.454	1.863	20	30		FDEDRO
CC[N@H+](CCO)CCNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000847747728	976019380	/nfs/dbraw/zinc/01/93/80/976019380.db2.gz	OVDWIRMOGAPDJF-UHFFFAOYSA-N	1	0	367.490	1.067	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1	ZINC000866779922	976035669	/nfs/dbraw/zinc/03/56/69/976035669.db2.gz	WRQXRVHJBDUBLR-GWCFXTLKSA-N	1	0	365.352	1.845	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCCOC	ZINC001110595487	976210496	/nfs/dbraw/zinc/21/04/96/976210496.db2.gz	SOTWLHDUYZWVEV-MKXGPGLRSA-N	1	0	366.502	1.500	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C)cn1	ZINC000958169076	1014321494	/nfs/dbraw/zinc/32/14/94/1014321494.db2.gz	DMPKJWIYLXXJSO-VQIMIIECSA-N	1	0	368.481	1.372	20	30		FDEDRO
O=C(N[C@@H]1CCCN(O)C1=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1	ZINC000848139581	976375801	/nfs/dbraw/zinc/37/58/01/976375801.db2.gz	ZCAFWWWMEDJNFQ-QGZVFWFLSA-N	1	0	361.442	1.001	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1	ZINC000848409629	976721724	/nfs/dbraw/zinc/72/17/24/976721724.db2.gz	ZLRPRBJQFZODKB-CQSZACIVSA-N	1	0	363.849	1.626	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c3c(nn1C)CCCC3)C2	ZINC001110602468	976753647	/nfs/dbraw/zinc/75/36/47/976753647.db2.gz	SQPLJHHLQSPHMB-OLMNPRSZSA-N	1	0	358.486	1.837	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@H]1CCN(CC(F)(F)F)C1	ZINC000867958759	977143287	/nfs/dbraw/zinc/14/32/87/977143287.db2.gz	HCYOVZNHSIUMCJ-CZUORRHYSA-N	1	0	366.387	1.745	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCc2cc(Cl)nnc2C1	ZINC000867981306	977166177	/nfs/dbraw/zinc/16/61/77/977166177.db2.gz	MENRLNDWSIRPBA-QGZVFWFLSA-N	1	0	353.813	1.773	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1	ZINC000868134395	977313032	/nfs/dbraw/zinc/31/30/32/977313032.db2.gz	KJJSORSXDQWSSN-BMFZPTHFSA-N	1	0	355.398	1.266	20	30		FDEDRO
C[NH+]=C(NC[C@H](CO)Cc1cc(Br)ccc1OC)NC1CC1	ZINC000849110405	977321102	/nfs/dbraw/zinc/32/11/02/977321102.db2.gz	WIOKAJMLCJVLMY-LLVKDONJSA-N	1	0	370.291	1.936	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1	ZINC000868169546	977332012	/nfs/dbraw/zinc/33/20/12/977332012.db2.gz	ZEDUNSYBJPKSTA-ZDUSSCGKSA-N	1	0	359.327	1.419	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCc2cc(C(=O)OCC)no2)CC1	ZINC000868221536	977359728	/nfs/dbraw/zinc/35/97/28/977359728.db2.gz	JLQNJVLSCJORMB-UHFFFAOYSA-N	1	0	350.419	1.691	20	30		FDEDRO
Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cccc(OCC#N)c2)cn1	ZINC000849500634	977694499	/nfs/dbraw/zinc/69/44/99/977694499.db2.gz	IEFVPSHMEAVIPZ-QZTJIDSGSA-N	1	0	353.426	1.996	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCC1=O)OCC	ZINC001110616586	978037663	/nfs/dbraw/zinc/03/76/63/978037663.db2.gz	KZWLGPZCLRDRAH-BDXSIMOUSA-N	1	0	363.502	1.702	20	30		FDEDRO
COC[C@H](C)Oc1ccc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1	ZINC000850137662	978199554	/nfs/dbraw/zinc/19/95/54/978199554.db2.gz	TWUOFOPWVOXJES-JGWKNBOWSA-N	1	0	359.426	1.716	20	30		FDEDRO
C=CCN(C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[C@H](C)COC	ZINC000850586175	978447976	/nfs/dbraw/zinc/44/79/76/978447976.db2.gz	NAPQTGYYLCKACE-MRXNPFEDSA-N	1	0	374.485	1.426	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@](C)(C#N)C3)cc2)CC1	ZINC000850701069	978627352	/nfs/dbraw/zinc/62/73/52/978627352.db2.gz	DKIXABRCBRNWJK-FQEVSTJZSA-N	1	0	369.469	1.529	20	30		FDEDRO
C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CC[C@](C)(C#N)C2)CC1	ZINC000850701122	978627821	/nfs/dbraw/zinc/62/78/21/978627821.db2.gz	FPZUQKZXNUMXFN-LJQANCHMSA-N	1	0	355.442	1.139	20	30		FDEDRO
C#CCCN(CCOC)C(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1	ZINC000850710268	978636907	/nfs/dbraw/zinc/63/69/07/978636907.db2.gz	WXHLOXYYWMKFKK-UHFFFAOYSA-N	1	0	359.470	1.205	20	30		FDEDRO
C#CCCN(CCOC)C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1	ZINC000850725372	978648291	/nfs/dbraw/zinc/64/82/91/978648291.db2.gz	LGXHOEMRDVPJGT-UHFFFAOYSA-N	1	0	371.481	1.762	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCNC(=O)COC)C2	ZINC001110624089	978666066	/nfs/dbraw/zinc/66/60/66/978666066.db2.gz	HIVOWTDKNLDERY-ZACQAIPSSA-N	1	0	353.507	1.831	20	30		FDEDRO
C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1	ZINC000776522199	978872412	/nfs/dbraw/zinc/87/24/12/978872412.db2.gz	XTUMUYBLDRERIL-SOUVJXGZSA-N	1	0	365.478	1.339	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(c2ccnc(C)n2)CC1	ZINC001110630347	978877004	/nfs/dbraw/zinc/87/70/04/978877004.db2.gz	XXBPMTVTDYRIEW-CRAIPNDOSA-N	1	0	355.486	1.556	20	30		FDEDRO
C=CC[C@H](NC(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1)c1ccncc1	ZINC000851656913	978986562	/nfs/dbraw/zinc/98/65/62/978986562.db2.gz	RXUHSMBPWLZULK-SFHVURJKSA-N	1	0	373.501	1.989	20	30		FDEDRO
CCOP(=O)(OCC)[C@H](O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1	ZINC000851729935	979019723	/nfs/dbraw/zinc/01/97/23/979019723.db2.gz	SODJWLQRPOWZMY-INIZCTEOSA-N	1	0	368.374	1.660	20	30		FDEDRO
C#C[C@H]([NH2+]C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)[C@H]1CCCO1	ZINC000851949368	979215312	/nfs/dbraw/zinc/21/53/12/979215312.db2.gz	DEYHJSQQBXRTLW-HRCADAONSA-N	1	0	350.459	1.925	20	30		FDEDRO
C#CCC1(O)CC[NH+](CC(=O)N(CC)Cc2ccc(OC)c(OC)c2)CC1	ZINC000880479256	979219544	/nfs/dbraw/zinc/21/95/44/979219544.db2.gz	RFBDWLCRAHZLLD-UHFFFAOYSA-N	1	0	374.481	1.903	20	30		FDEDRO
C#CCC1(O)CC[NH+]([C@H](C)C(=O)N2CCN(c3ccccc3)CC2)CC1	ZINC000880478255	979219752	/nfs/dbraw/zinc/21/97/52/979219752.db2.gz	YMCQHJCLTURNHZ-GOSISDBHSA-N	1	0	355.482	1.574	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)nc1	ZINC000851982315	979243578	/nfs/dbraw/zinc/24/35/78/979243578.db2.gz	SEJQQIWPOCDTMR-QGZVFWFLSA-N	1	0	356.474	1.786	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1CN(C(=O)C[N@H+](C)C2CCC2)C1	ZINC000968010891	1014564866	/nfs/dbraw/zinc/56/48/66/1014564866.db2.gz	VKLMGJUXQSRZAU-MSOLQXFVSA-N	1	0	363.502	1.511	20	30		FDEDRO
C#C[C@@](C)(CC)[NH2+][C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1	ZINC000852100959	979351215	/nfs/dbraw/zinc/35/12/15/979351215.db2.gz	LQOZVDDHOHRWPF-GUYCJALGSA-N	1	0	351.472	1.655	20	30		FDEDRO
C#CCC[C@@H](O)CNC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000881130165	979703714	/nfs/dbraw/zinc/70/37/14/979703714.db2.gz	XFCWAUUEYVSMPB-RTBURBONSA-N	1	0	356.470	1.867	20	30		FDEDRO
Cc1cccc([C@@H](O)CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)c1	ZINC000128870484	979743755	/nfs/dbraw/zinc/74/37/55/979743755.db2.gz	NCHRHLOOQOKYGR-SJORKVTESA-N	1	0	374.485	1.909	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3ccc(OC)nn31)C2	ZINC001110734461	981694835	/nfs/dbraw/zinc/69/48/35/981694835.db2.gz	PPYJWFMXWSXREG-KFWWJZLASA-N	1	0	371.441	1.276	20	30		FDEDRO
N#Cc1cc(N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)nc(C2CC2)n1	ZINC000882813253	981704798	/nfs/dbraw/zinc/70/47/98/981704798.db2.gz	IZMMOARVUPFDNU-UHFFFAOYSA-N	1	0	354.458	1.536	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1	ZINC000266012365	981791589	/nfs/dbraw/zinc/79/15/89/981791589.db2.gz	SLQHXBLOMYZPQJ-CYBMUJFWSA-N	1	0	374.441	1.443	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)NCc1ccccc1CN1CC[NH+](CC)CC1	ZINC000858151421	981866559	/nfs/dbraw/zinc/86/65/59/981866559.db2.gz	FQETWXWQTXNQQT-FQEVSTJZSA-N	1	0	372.513	1.662	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1	ZINC000858151100	981866905	/nfs/dbraw/zinc/86/69/05/981866905.db2.gz	SVPATYJLVASHOC-FQEVSTJZSA-N	1	0	372.513	1.662	20	30		FDEDRO
C#CC[C@H](CO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1	ZINC000883124586	981965213	/nfs/dbraw/zinc/96/52/13/981965213.db2.gz	KSKGPRWKPCDIQN-LLVKDONJSA-N	1	0	360.151	1.673	20	30		FDEDRO
C=CCC[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)[C@@H]1CCCO1	ZINC000883207107	982014064	/nfs/dbraw/zinc/01/40/64/982014064.db2.gz	GSGDOGZYOUUCNL-KKUMJFAQSA-N	1	0	359.513	1.986	20	30		FDEDRO
C=CCC[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)[C@H]1CCCO1	ZINC000883207109	982014401	/nfs/dbraw/zinc/01/44/01/982014401.db2.gz	GSGDOGZYOUUCNL-SOUVJXGZSA-N	1	0	359.513	1.986	20	30		FDEDRO
C=CCC[C@@H]([NH2+]Cc1nnc2c(=O)n(C)ccn12)[C@H]1Cc2ccccc2O1	ZINC000883337742	982084285	/nfs/dbraw/zinc/08/42/85/982084285.db2.gz	LSXRRVRCHUVASE-NVXWUHKLSA-N	1	0	365.437	1.856	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCc2cn(C3CC3)c(=O)[nH]c2=O)CC1	ZINC000883342013	982086840	/nfs/dbraw/zinc/08/68/40/982086840.db2.gz	HPMMGIBSNJSDOI-UHFFFAOYSA-N	1	0	361.446	1.124	20	30		FDEDRO
C#CCOc1ccc(C[NH2+][C@H]2CCCN(CCN3CCOCC3)C2)cc1	ZINC000883371870	982100613	/nfs/dbraw/zinc/10/06/13/982100613.db2.gz	CKNCIASMEPLJQB-FQEVSTJZSA-N	1	0	357.498	1.585	20	30		FDEDRO
N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1cc2n(n1)CCN(Cc1ccccc1)C2	ZINC000883591353	982289721	/nfs/dbraw/zinc/28/97/21/982289721.db2.gz	ABMBCFWPLSEYEY-RDJZCZTQSA-N	1	0	365.441	1.132	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CCOC2CN(C(=O)OC(C)(C)C)C2)CC1	ZINC000777072910	982397672	/nfs/dbraw/zinc/39/76/72/982397672.db2.gz	TYRRGEFJPKZLNT-UHFFFAOYSA-N	1	0	366.462	1.117	20	30		FDEDRO
C=CCN1CCN(C)C2(CC[NH+](Cc3cnc4cccc(C)n34)CC2)C1=O	ZINC001137195406	982419874	/nfs/dbraw/zinc/41/98/74/982419874.db2.gz	LWIOAHIRMAZWPT-UHFFFAOYSA-N	1	0	367.497	1.937	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000883748042	982435213	/nfs/dbraw/zinc/43/52/13/982435213.db2.gz	WKDZLMBQVARBAY-IBGZPJMESA-N	1	0	373.497	1.741	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1	ZINC000859024363	982464235	/nfs/dbraw/zinc/46/42/35/982464235.db2.gz	FBUDZXBUJCTNRQ-SFHVURJKSA-N	1	0	364.534	1.664	20	30		FDEDRO
CC(C)COC(=O)N1CCC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)CC1	ZINC000859112287	982540053	/nfs/dbraw/zinc/54/00/53/982540053.db2.gz	ALTKDBFMIYTABK-KRWDZBQOSA-N	1	0	367.490	1.858	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN(C)CC(=O)NC(C)C)C2	ZINC001110767473	982567416	/nfs/dbraw/zinc/56/74/16/982567416.db2.gz	WLMGBCGAGKQTEX-ZACQAIPSSA-N	1	0	350.507	1.131	20	30		FDEDRO
C=CCNC(=O)N1CCC([N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1	ZINC001202570073	982603811	/nfs/dbraw/zinc/60/38/11/982603811.db2.gz	WZHLELOOASFTCW-AWEZNQCLSA-N	1	0	352.479	1.945	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1	ZINC001202584549	982636938	/nfs/dbraw/zinc/63/69/38/982636938.db2.gz	PHGYUJPQAZAVCU-KURKYZTESA-N	1	0	363.502	1.559	20	30		FDEDRO
CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000859263138	982658325	/nfs/dbraw/zinc/65/83/25/982658325.db2.gz	WWWQOLQRLFPPJX-IXDOHACOSA-N	1	0	367.490	1.904	20	30		FDEDRO
CC(C)(C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(C#N)cc1	ZINC000859418136	982787479	/nfs/dbraw/zinc/78/74/79/982787479.db2.gz	AQDAIKOQYCWVOQ-IBGZPJMESA-N	1	0	370.497	1.359	20	30		FDEDRO
CCN(CC)C(=O)c1ccc(CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1	ZINC000884073803	982822783	/nfs/dbraw/zinc/82/27/83/982822783.db2.gz	VHNJSHWGFUYSKH-IDYZSHNDSA-N	1	0	368.481	1.924	20	30		FDEDRO
C[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccc2c(c1)CCC(=O)N2	ZINC000884088389	982848907	/nfs/dbraw/zinc/84/89/07/982848907.db2.gz	IOGXLHJNIPQOFG-WEMPVXMLSA-N	1	0	352.438	1.888	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCCCS(=O)(=O)c1ccccc1)C2	ZINC000884108018	982878278	/nfs/dbraw/zinc/87/82/78/982878278.db2.gz	MCNVUJDWIVSOEM-CSLYMUCUSA-N	1	0	361.467	1.106	20	30		FDEDRO
CCOc1c(OC)cc(CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1OC	ZINC000884109768	982880411	/nfs/dbraw/zinc/88/04/11/982880411.db2.gz	QHIOFGBJTUSBEI-RDYUPDBUSA-N	1	0	373.453	1.858	20	30		FDEDRO
COc1ccc(C[C@H](C)NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc1OC	ZINC000884128032	982909165	/nfs/dbraw/zinc/90/91/65/982909165.db2.gz	SAZWOWIDOIGSTH-JWBFORJRSA-N	1	0	357.454	1.890	20	30		FDEDRO
COC(=O)[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccc(C)cc1	ZINC000884130578	982912980	/nfs/dbraw/zinc/91/29/80/982912980.db2.gz	NYFVBHFKKXIZTK-ASPXRTSYSA-N	1	0	355.438	1.507	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)N2CCC(C#N)CC2)C1	ZINC000331774545	982941392	/nfs/dbraw/zinc/94/13/92/982941392.db2.gz	FUGKZSCPOOIHPG-SJLPKXTDSA-N	1	0	360.502	1.862	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1ccc(N3CCOCC3)c(F)c1)C2	ZINC000884210892	982987381	/nfs/dbraw/zinc/98/73/81/982987381.db2.gz	MQMZDEYGOZTMNC-SHYRYGCCSA-N	1	0	358.417	1.740	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000884223389	982997293	/nfs/dbraw/zinc/99/72/93/982997293.db2.gz	PKDRKMRPTQGKBI-BPQIPLTHSA-N	1	0	359.470	1.460	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCNC[C@H]1c1ccccc1Cl)C2	ZINC000884278251	983049057	/nfs/dbraw/zinc/04/90/57/983049057.db2.gz	HFCZYWOHPOTDMF-XQCDLMLLSA-N	1	0	358.873	1.952	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1	ZINC000884326171	983087095	/nfs/dbraw/zinc/08/70/95/983087095.db2.gz	LWKYXIKCTSXMED-LSDHHAIUSA-N	1	0	370.808	1.826	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CC[C@@H](C(=O)N3CCCCC3)C1)C2	ZINC000884334856	983093841	/nfs/dbraw/zinc/09/38/41/983093841.db2.gz	DJFNVKDIPAKHMA-QLARPANUSA-N	1	0	358.486	1.423	20	30		FDEDRO
COc1ccc(N2CC[C@H](CNC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)C2)cc1	ZINC000884369215	983119175	/nfs/dbraw/zinc/11/91/75/983119175.db2.gz	WPHBIQSRJXZALQ-BAQZJKQNSA-N	1	0	368.481	1.777	20	30		FDEDRO
COc1ccccc1OC[C@@H](C)CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884378556	983126379	/nfs/dbraw/zinc/12/63/79/983126379.db2.gz	WLMGYYYWFMCCPF-ZZPBVIFJSA-N	1	0	357.454	1.966	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1	ZINC000884378675	983127344	/nfs/dbraw/zinc/12/73/44/983127344.db2.gz	ZQIYSZWTYVHRTQ-AEFFLSMTSA-N	1	0	365.518	1.936	20	30		FDEDRO
Cc1cc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(C#N)[nH]2)C3)n1	ZINC001095329317	983157717	/nfs/dbraw/zinc/15/77/17/983157717.db2.gz	GMGVMRQGROTBQG-NJAFHUGGSA-N	1	0	352.442	1.735	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1	ZINC000653155145	1014918534	/nfs/dbraw/zinc/91/85/34/1014918534.db2.gz	YPOJFLZMLJDVPX-MSOLQXFVSA-N	1	0	351.491	1.864	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)c1ccncc1	ZINC000861494007	983746723	/nfs/dbraw/zinc/74/67/23/983746723.db2.gz	ISFNRYSKPIOWRT-KRWDZBQOSA-N	1	0	366.421	1.936	20	30		FDEDRO
C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1	ZINC000861541613	983771081	/nfs/dbraw/zinc/77/10/81/983771081.db2.gz	FCKVPURICXENRQ-SNVBAGLBSA-N	1	0	360.805	1.141	20	30		FDEDRO
C#C[C@@H](NC(=O)NC[C@@H]1COCC[NH2+]1)c1ccc(Br)cc1	ZINC000861687760	983827851	/nfs/dbraw/zinc/82/78/51/983827851.db2.gz	YBTHJLRHOAPDKI-ZIAGYGMSSA-N	1	0	352.232	1.411	20	30		FDEDRO
CSc1nc(C2CC2)cc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)c1C#N	ZINC000861711052	983850176	/nfs/dbraw/zinc/85/01/76/983850176.db2.gz	SANDDPGNHVPFFD-KGLIPLIRSA-N	1	0	372.494	1.834	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1	ZINC000861733285	983880283	/nfs/dbraw/zinc/88/02/83/983880283.db2.gz	UUHSOOZIHJZOLS-CABCVRRESA-N	1	0	367.371	1.270	20	30		FDEDRO
C[C@H]([NH2+]C1CCN(CC#N)CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000862278046	984300429	/nfs/dbraw/zinc/30/04/29/984300429.db2.gz	QNUPDPSXAAFTIV-HOCLYGCPSA-N	1	0	352.479	1.588	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@H](C)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000862311597	984322356	/nfs/dbraw/zinc/32/23/56/984322356.db2.gz	PCWSILOFWMHDOI-KGLIPLIRSA-N	1	0	362.492	1.201	20	30		FDEDRO
CN(CCOCC[NH2+]Cc1cnc2c(C#N)cnn2c1)C(=O)OC(C)(C)C	ZINC000862484958	984400062	/nfs/dbraw/zinc/40/00/62/984400062.db2.gz	DSBCRXLRIMCNPC-UHFFFAOYSA-N	1	0	374.445	1.574	20	30		FDEDRO
CCCC[C@@H](ON=C(C)C)C(=O)NC[C@]1(CO)COCC2(CCC2)N1C	ZINC000862641524	984453530	/nfs/dbraw/zinc/45/35/30/984453530.db2.gz	BOZYNUOOYWPDIS-APWZRJJASA-N	1	0	369.506	1.690	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cc1	ZINC000862789621	984535228	/nfs/dbraw/zinc/53/52/28/984535228.db2.gz	MLANZURCQOMEJB-HNNXBMFYSA-N	1	0	363.483	1.060	20	30		FDEDRO
C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C#N)c(F)c1	ZINC000868792945	984607839	/nfs/dbraw/zinc/60/78/39/984607839.db2.gz	YUDGVNXOMVYHHK-HNNXBMFYSA-N	1	0	364.421	1.768	20	30		FDEDRO
N#CCCc1ccc(S(=O)(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1	ZINC000923688966	984648054	/nfs/dbraw/zinc/64/80/54/984648054.db2.gz	UWFRHTPRWOSPPY-INIZCTEOSA-N	1	0	363.483	1.661	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CCCCC1	ZINC000884786333	984793476	/nfs/dbraw/zinc/79/34/76/984793476.db2.gz	NZORFHMEEOSIHR-KRWDZBQOSA-N	1	0	354.454	1.407	20	30		FDEDRO
CC[C@]1(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCNC1=O	ZINC000869164008	984919649	/nfs/dbraw/zinc/91/96/49/984919649.db2.gz	DUEXRJVGFGQJTR-FQEVSTJZSA-N	1	0	354.454	1.555	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)/C=C/CN3CCOCC3)CC2)c1	ZINC000869164471	984920151	/nfs/dbraw/zinc/92/01/51/984920151.db2.gz	WIQYNFARCJYHTJ-GORDUTHDSA-N	1	0	368.481	1.527	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@@H](NC(=O)NC1CC[NH+](C[C@H]3CCCO3)CC1)C2	ZINC000869190132	984932837	/nfs/dbraw/zinc/93/28/37/984932837.db2.gz	YRHRXFRURHOPCW-VQTJNVASSA-N	1	0	368.481	1.968	20	30		FDEDRO
C#CCN(C(=O)NCc1c(Br)cnn1C)C1CC[NH+](C)CC1	ZINC000923609361	985027198	/nfs/dbraw/zinc/02/71/98/985027198.db2.gz	LHBGTRWZJLTGEV-UHFFFAOYSA-N	1	0	368.279	1.422	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000885007147	985062757	/nfs/dbraw/zinc/06/27/57/985062757.db2.gz	GFBFYOPNSSFDCP-REPLKXPHSA-N	1	0	366.465	1.720	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2	ZINC000885149841	985204027	/nfs/dbraw/zinc/20/40/27/985204027.db2.gz	CNJZDZRNEFOPSD-GOSISDBHSA-N	1	0	371.481	1.476	20	30		FDEDRO
CCOC(=O)C1CCN(C(=O)C[N@H+](C)C[C@H](O)CC2(C#N)CCC2)CC1	ZINC000885981953	985817373	/nfs/dbraw/zinc/81/73/73/985817373.db2.gz	RJAXJDFGEBMYSW-MRXNPFEDSA-N	1	0	365.474	1.165	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)C(C)C	ZINC000890261302	985895167	/nfs/dbraw/zinc/89/51/67/985895167.db2.gz	SNQWJGNARCDZJX-MOPGFXCFSA-N	1	0	368.481	1.684	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)C(C)C	ZINC000890261305	985895322	/nfs/dbraw/zinc/89/53/22/985895322.db2.gz	SNQWJGNARCDZJX-RTBURBONSA-N	1	0	368.481	1.684	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CC[C@@H](N3CC(=O)Nc4ccccc43)C2)CCC1	ZINC000886134337	985923478	/nfs/dbraw/zinc/92/34/78/985923478.db2.gz	PKUMNXRREQSRDW-CVEARBPZSA-N	1	0	354.454	1.964	20	30		FDEDRO
N#C[C@]12CN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)C[C@@H]1CS(=O)(=O)C2	ZINC000886202399	985963533	/nfs/dbraw/zinc/96/35/33/985963533.db2.gz	QNSSGTITXHCRJQ-IEBWSBKVSA-N	1	0	373.478	1.293	20	30		FDEDRO
N#C[C@]12CN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C[C@@H]1CS(=O)(=O)C2	ZINC000886205734	985969023	/nfs/dbraw/zinc/96/90/23/985969023.db2.gz	WSBKYRPBPDROGU-IIDMSEBBSA-N	1	0	365.499	1.038	20	30		FDEDRO
C#CCCOc1ccc(C[NH2+]CCc2nnc3c(=O)n(C)ccn23)cc1	ZINC000886284423	986022390	/nfs/dbraw/zinc/02/23/90/986022390.db2.gz	WUZLTYSEPXPZJI-UHFFFAOYSA-N	1	0	351.410	1.162	20	30		FDEDRO
N#Cc1ccnc(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)c1	ZINC000282955999	986048354	/nfs/dbraw/zinc/04/83/54/986048354.db2.gz	LJBLMKOCBSWFFN-UHFFFAOYSA-N	1	0	363.465	1.891	20	30		FDEDRO
C#CC[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C1	ZINC000886361511	986099661	/nfs/dbraw/zinc/09/96/61/986099661.db2.gz	KJIMRDVTUMDZEB-KBPBESRZSA-N	1	0	357.410	1.840	20	30		FDEDRO
C#CCN(C(=O)CCNC(=O)c1cc2ccccc2[nH]1)C1CC[NH+](C)CC1	ZINC000886572209	986370566	/nfs/dbraw/zinc/37/05/66/986370566.db2.gz	CNWVWHKOVRLKBI-UHFFFAOYSA-N	1	0	366.465	1.844	20	30		FDEDRO
C#CCN(C(=O)[C@H](CCOC)NC(=O)OC(C)(C)C)C1CC[NH+](C)CC1	ZINC000886572587	986372337	/nfs/dbraw/zinc/37/23/37/986372337.db2.gz	RTGYWODFVWPPKK-INIZCTEOSA-N	1	0	367.490	1.472	20	30		FDEDRO
C#CCN(C(=O)[C@H]1CCCN(C(=O)NCC(C)C)C1)C1CC[NH+](C)CC1	ZINC000886581077	986384135	/nfs/dbraw/zinc/38/41/35/986384135.db2.gz	IXQGNIXRIQMGAB-KRWDZBQOSA-N	1	0	362.518	1.620	20	30		FDEDRO
C#CCN(C(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O)C1CC[NH+](C)CC1	ZINC000886583302	986387008	/nfs/dbraw/zinc/38/70/08/986387008.db2.gz	KUGNSCBTRFTGCY-GOSISDBHSA-N	1	0	357.429	1.735	20	30		FDEDRO
N#CCCN1CCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1	ZINC000870982462	986560470	/nfs/dbraw/zinc/56/04/70/986560470.db2.gz	ICDXLFYNCZSZCZ-CQSZACIVSA-N	1	0	351.248	1.507	20	30		FDEDRO
C=CCC1(O)CC[NH+](C[C@H](O)COc2c(OC)cccc2OC)CC1	ZINC000886763729	986565410	/nfs/dbraw/zinc/56/54/10/986565410.db2.gz	CRYALVCMBLSCLG-HNNXBMFYSA-N	1	0	351.443	1.847	20	30		FDEDRO
C=CCC1(O)CC[NH+](C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)CC1	ZINC000886778700	986580354	/nfs/dbraw/zinc/58/03/54/986580354.db2.gz	OZUBLKCDZCMXNB-INIZCTEOSA-N	1	0	360.454	1.714	20	30		FDEDRO
C=CCn1c(-c2cnn(C)c2)nnc1N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000871054503	986623210	/nfs/dbraw/zinc/62/32/10/986623210.db2.gz	UQYHFBGEISYGFJ-UHFFFAOYSA-N	1	0	370.505	1.081	20	30		FDEDRO
COC(=O)C1CC2(C1)C[N@H+](CCO[C@H](C)C#N)C[C@@H]2C(=O)OC(C)(C)C	ZINC000886883836	986687250	/nfs/dbraw/zinc/68/72/50/986687250.db2.gz	NUBYBJPWSBODJF-PPXVZNSRSA-N	1	0	366.458	1.758	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1	ZINC000871813935	987267025	/nfs/dbraw/zinc/26/70/25/987267025.db2.gz	LWLRNTJSZVMBLV-MNOVXSKESA-N	1	0	363.361	1.325	20	30		FDEDRO
COc1ccc([C@H](C[NH3+])CN2CCN(c3ccc(C#N)nc3)CC2)cc1	ZINC000872146097	987460750	/nfs/dbraw/zinc/46/07/50/987460750.db2.gz	FPALCJDJBPMNAL-QGZVFWFLSA-N	1	0	351.454	1.826	20	30		FDEDRO
N#Cc1cccnc1NCC[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1	ZINC000872200123	987511211	/nfs/dbraw/zinc/51/12/11/987511211.db2.gz	VBZXSWSOCUBSKN-HXUWFJFHSA-N	1	0	351.454	1.592	20	30		FDEDRO
CS(=O)(=O)c1ccc([C@H](O)C[NH2+][C@@H]2Cc3ccc(C#N)cc3C2)cc1	ZINC000872238851	987535559	/nfs/dbraw/zinc/53/55/59/987535559.db2.gz	LMNIWZRDJNUSEK-IEBWSBKVSA-N	1	0	356.447	1.752	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1	ZINC000872246397	987540661	/nfs/dbraw/zinc/54/06/61/987540661.db2.gz	KHWAMPVCLRTMRV-PDOIAVGCSA-N	1	0	364.467	1.243	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1	ZINC000872257664	987552052	/nfs/dbraw/zinc/55/20/52/987552052.db2.gz	VBFRDZWOLFXUGM-ZBFHGGJFSA-N	1	0	372.425	1.044	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1	ZINC000872259297	987553686	/nfs/dbraw/zinc/55/36/86/987553686.db2.gz	QZSAUPLAEPMTMZ-AEFFLSMTSA-N	1	0	371.437	1.649	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCO[C@@H](c3noc(C4CC4)n3)C2)CC1	ZINC000872902065	988262725	/nfs/dbraw/zinc/26/27/25/988262725.db2.gz	KXKAAPLEVGOHQO-OAHLLOKOSA-N	1	0	361.446	1.680	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1)[NH+]1CCCCC1	ZINC000872924944	988291182	/nfs/dbraw/zinc/29/11/82/988291182.db2.gz	ZXFHHQAYNPHBCH-INIZCTEOSA-N	1	0	356.474	1.659	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC000872937046	988307579	/nfs/dbraw/zinc/30/75/79/988307579.db2.gz	CKPOTYZVGQZRFC-KDOFPFPSSA-N	1	0	354.458	1.268	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)C[C@H](C)O1	ZINC000361299168	988330110	/nfs/dbraw/zinc/33/01/10/988330110.db2.gz	OPXRIKYNOGFASB-YRNRMSPPSA-N	1	0	371.481	1.939	20	30		FDEDRO
C[C@H]1CCC[N@H+](CCNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000366083209	988380242	/nfs/dbraw/zinc/38/02/42/988380242.db2.gz	UQPVKLZSIGAREW-DOTOQJQBSA-N	1	0	357.458	1.848	20	30		FDEDRO
N#Cc1ccc(CNC(=O)CN2CCC(C[NH+]3CCOCC3)CC2)cc1	ZINC000299372500	988389772	/nfs/dbraw/zinc/38/97/72/988389772.db2.gz	GUPAESGJKYYBHA-UHFFFAOYSA-N	1	0	356.470	1.219	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)CC1	ZINC000299415123	988446172	/nfs/dbraw/zinc/44/61/72/988446172.db2.gz	RLGFDNFXAUJWTQ-INIZCTEOSA-N	1	0	372.391	1.022	20	30		FDEDRO
C=CCOc1ccc(CC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1	ZINC000294629805	988505887	/nfs/dbraw/zinc/50/58/87/988505887.db2.gz	SGKPAPOXWLIZGL-IBGZPJMESA-N	1	0	373.497	1.853	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(F)c1	ZINC000873106150	988564280	/nfs/dbraw/zinc/56/42/80/988564280.db2.gz	FEPLLPIJSGYOJH-UWVGGRQHSA-N	1	0	358.295	1.231	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)Cc3cccc(OCC#N)c3)C2)CC1	ZINC000362068775	988574139	/nfs/dbraw/zinc/57/41/39/988574139.db2.gz	ZSSLTTUBIWKNBP-LJQANCHMSA-N	1	0	370.497	1.758	20	30		FDEDRO
C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCC(n2cnc(C#N)n2)CC1	ZINC000366331588	988626826	/nfs/dbraw/zinc/62/68/26/988626826.db2.gz	VHSWFPLOXGSSIU-BZUAXINKSA-N	1	0	373.505	1.863	20	30		FDEDRO
Cc1ccccc1CCNC(=O)[C@@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000366343232	988633892	/nfs/dbraw/zinc/63/38/92/988633892.db2.gz	ZXKSYPJXIBXWAW-MRXNPFEDSA-N	1	0	366.469	1.843	20	30		FDEDRO
COC[C@@]1(C(=O)OC)CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1	ZINC000295243705	988638660	/nfs/dbraw/zinc/63/86/60/988638660.db2.gz	YJOXYQUFNIGLIC-OXQOHEQNSA-N	1	0	373.453	1.833	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000362718764	988715162	/nfs/dbraw/zinc/71/51/62/988715162.db2.gz	BAEAHLPPZXGKNF-OXQOHEQNSA-N	1	0	369.513	1.986	20	30		FDEDRO
C=CCn1c([C@@H]2CCCO2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000295837258	988784954	/nfs/dbraw/zinc/78/49/54/988784954.db2.gz	DANSWLQUPXTNDH-CVEARBPZSA-N	1	0	374.489	1.058	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1	ZINC000366832146	988803384	/nfs/dbraw/zinc/80/33/84/988803384.db2.gz	PULVRXFEBVHUKE-PJODQICGSA-N	1	0	362.405	1.087	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccco2)C1	ZINC000367213226	988941124	/nfs/dbraw/zinc/94/11/24/988941124.db2.gz	MSWGMAMFMSOEPE-HOTGVXAUSA-N	1	0	360.458	1.730	20	30		FDEDRO
N#CCNC(=O)CNC(=O)[C@]12C[N@H+](Cc3ccccc3)C[C@H]1CCCC2	ZINC000367733713	988965105	/nfs/dbraw/zinc/96/51/05/988965105.db2.gz	JTWWJSJEZJAUSE-YLJYHZDGSA-N	1	0	354.454	1.435	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCNC(=O)[C@@H]2c2ccccc2C)CC1	ZINC000368100934	988978606	/nfs/dbraw/zinc/97/86/06/988978606.db2.gz	WSYQTIHTXKUSLW-SFHVURJKSA-N	1	0	356.470	1.828	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000368613494	989000190	/nfs/dbraw/zinc/00/01/90/989000190.db2.gz	JWAWMTWRCPNFDW-HOTGVXAUSA-N	1	0	366.506	1.304	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(CC(=O)N2CCOCC2)CC1	ZINC000368803268	989009342	/nfs/dbraw/zinc/00/93/42/989009342.db2.gz	WBCZHUVYJKUGRM-QGZVFWFLSA-N	1	0	363.502	1.536	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)CC1	ZINC000369077188	989024010	/nfs/dbraw/zinc/02/40/10/989024010.db2.gz	ULQCWESXSMCWLP-MRXNPFEDSA-N	1	0	372.469	1.750	20	30		FDEDRO
CC[N@@H+]1CCc2c(cccc2-n2nnc(C(=O)N[C@H](C)CC#N)c2C)C1	ZINC000369116737	989026014	/nfs/dbraw/zinc/02/60/14/989026014.db2.gz	MERRLVOSNCEDNY-CYBMUJFWSA-N	1	0	352.442	1.986	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1C#N	ZINC000873714004	989044463	/nfs/dbraw/zinc/04/44/63/989044463.db2.gz	QWBANWBHTAVEQU-MRXNPFEDSA-N	1	0	360.458	1.988	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1	ZINC000369591888	989062057	/nfs/dbraw/zinc/06/20/57/989062057.db2.gz	NTLXARFMVCFNMZ-UHFFFAOYSA-N	1	0	374.485	1.091	20	30		FDEDRO
C[C@@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000369728548	989124209	/nfs/dbraw/zinc/12/42/09/989124209.db2.gz	AWHHNLGXSXGKNC-ZDUSSCGKSA-N	1	0	356.405	1.631	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000363393603	989157095	/nfs/dbraw/zinc/15/70/95/989157095.db2.gz	SXXRIWZPMHMTKX-ZHALLVOQSA-N	1	0	364.534	1.920	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(C[C@H](O)COc3ccc(C#N)cc3)CC2)C1	ZINC000363416047	989179391	/nfs/dbraw/zinc/17/93/91/989179391.db2.gz	AVCAKMRAGRNSCX-OALUTQOASA-N	1	0	358.486	1.010	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)nc1	ZINC000363462055	989219677	/nfs/dbraw/zinc/21/96/77/989219677.db2.gz	GLOJWXRINROFJN-ROUUACIJSA-N	1	0	368.485	1.848	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccccc2)CC1	ZINC000363574419	989315520	/nfs/dbraw/zinc/31/55/20/989315520.db2.gz	FIEGZMBMBRZRTL-UYAOXDASSA-N	1	0	353.466	1.810	20	30		FDEDRO
C[NH+]1CCC2(CCCN(C(=O)C(=O)Nc3cc(F)cc(C#N)c3)C2)CC1	ZINC000873864451	989351667	/nfs/dbraw/zinc/35/16/67/989351667.db2.gz	RTKKOMWYDBAOLJ-UHFFFAOYSA-N	1	0	358.417	1.970	20	30		FDEDRO
C#Cc1ccc(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)cc1	ZINC000296679085	989360283	/nfs/dbraw/zinc/36/02/83/989360283.db2.gz	XAGAHOPGRHBOQW-UHFFFAOYSA-N	1	0	363.465	1.814	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2	ZINC000296762097	989401024	/nfs/dbraw/zinc/40/10/24/989401024.db2.gz	FVSXZDIVLIPTOO-SFHVURJKSA-N	1	0	373.501	1.281	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(C)c(C)c1C(=O)OC	ZINC000873896145	989409600	/nfs/dbraw/zinc/40/96/00/989409600.db2.gz	OUSUJVMGYFJYDC-UHFFFAOYSA-N	1	0	359.426	1.100	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@H](c1nccn1C)c1cccc(F)c1	ZINC000296857787	989437623	/nfs/dbraw/zinc/43/76/23/989437623.db2.gz	KIDYEQBHBJSTNA-KRWDZBQOSA-N	1	0	357.433	1.903	20	30		FDEDRO
Cn1cc([C@H]2[C@@H](CNc3nccc(C#N)c3[N+](=O)[O-])CCC[N@@H+]2C)cn1	ZINC000363885846	989454903	/nfs/dbraw/zinc/45/49/03/989454903.db2.gz	AHCVSERNSMXHJD-UKRRQHHQSA-N	1	0	355.402	2.090	20	30		FDEDRO
Cn1cc([C@@H]2[C@H](CNc3nccc(C#N)c3[N+](=O)[O-])CCC[N@@H+]2C)cn1	ZINC000363885848	989455155	/nfs/dbraw/zinc/45/51/55/989455155.db2.gz	AHCVSERNSMXHJD-ZFWWWQNUSA-N	1	0	355.402	2.090	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@H](c1nccn1C)c1ccc(F)cc1	ZINC000296980517	989456255	/nfs/dbraw/zinc/45/62/55/989456255.db2.gz	SAKAWAAPVZOFNT-KRWDZBQOSA-N	1	0	357.433	1.903	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCc1ccccc1C[NH+]1CCC[C@@H]1CO	ZINC000297160554	989486235	/nfs/dbraw/zinc/48/62/35/989486235.db2.gz	DPUWFCICEMZJOZ-HXUWFJFHSA-N	1	0	372.513	1.398	20	30		FDEDRO
N#Cc1cccc(/C=C/C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)c1	ZINC000364087935	989491216	/nfs/dbraw/zinc/49/12/16/989491216.db2.gz	DEPCDQZJXBMALK-SNAWJCMRSA-N	1	0	355.438	1.257	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1cc(C)c(C#N)cn1	ZINC000873972498	989552860	/nfs/dbraw/zinc/55/28/60/989552860.db2.gz	OLZMRCCZDARWFD-UHFFFAOYSA-N	1	0	373.457	1.017	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1	ZINC000873973854	989556663	/nfs/dbraw/zinc/55/66/63/989556663.db2.gz	QZJAMNHEJWGTNK-INIZCTEOSA-N	1	0	359.470	1.705	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC3(C2)C[NH+](Cc2ccccc2)C3)nc1	ZINC000873974612	989560554	/nfs/dbraw/zinc/56/05/54/989560554.db2.gz	XRXYHQVAIAKEGI-UHFFFAOYSA-N	1	0	361.405	1.236	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(c2nnc3cc(C)ccn32)CC1	ZINC000364599522	989670959	/nfs/dbraw/zinc/67/09/59/989670959.db2.gz	MAEIXOODCTUYSA-AWEZNQCLSA-N	1	0	370.457	1.617	20	30		FDEDRO
C=CCN1CC[C@H]([NH+]2CCC(n3cnc(C(=O)OCC)c3N)CC2)C1=O	ZINC000297754476	989675512	/nfs/dbraw/zinc/67/55/12/989675512.db2.gz	ULVFOBZNWUAKNP-AWEZNQCLSA-N	1	0	361.446	1.066	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)n1	ZINC000364621357	989682975	/nfs/dbraw/zinc/68/29/75/989682975.db2.gz	HPXUHOFFKHXKQD-LJQANCHMSA-N	1	0	374.485	1.135	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1	ZINC000297819591	989709457	/nfs/dbraw/zinc/70/94/57/989709457.db2.gz	PYSJHIVOHRFXJX-SJLPKXTDSA-N	1	0	359.470	1.779	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)Oc3ccc(C#N)cc3)C2)CC1	ZINC000370422749	989732282	/nfs/dbraw/zinc/73/22/82/989732282.db2.gz	GJYZKIFLZRHZOS-PKOBYXMFSA-N	1	0	370.497	1.952	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)CN1CCCN(c2ncccc2F)CC1	ZINC000364750188	989762928	/nfs/dbraw/zinc/76/29/28/989762928.db2.gz	QDSFSUHWSXTUDK-UHFFFAOYSA-N	1	0	358.421	1.389	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1	ZINC000874120730	989768627	/nfs/dbraw/zinc/76/86/27/989768627.db2.gz	ARLYIDOJMIOCHD-UHFFFAOYSA-N	1	0	358.442	1.884	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1	ZINC000874169426	989854636	/nfs/dbraw/zinc/85/46/36/989854636.db2.gz	DWOCQPHDXJBNSU-DOTOQJQBSA-N	1	0	370.453	1.094	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1	ZINC000364994294	989943092	/nfs/dbraw/zinc/94/30/92/989943092.db2.gz	XTYMBSOKGHTEBW-IBGZPJMESA-N	1	0	366.465	1.816	20	30		FDEDRO
CC[NH+](CC)CC1CCN(C(=O)C(=NOC)c2csc(N)n2)CC1	ZINC000874248340	989983612	/nfs/dbraw/zinc/98/36/12/989983612.db2.gz	OTMHWQZNPLINJJ-UHFFFAOYSA-N	1	0	353.492	1.656	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NCC[N@@H+](CC)C2CC2)s1	ZINC000874338065	990118638	/nfs/dbraw/zinc/11/86/38/990118638.db2.gz	TXTKSGSKQQKGBX-UHFFFAOYSA-N	1	0	371.528	1.355	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1cccc(OCC#N)c1)[N@@H+]1CCC[C@H](C)C1	ZINC000298574452	990168544	/nfs/dbraw/zinc/16/85/44/990168544.db2.gz	CVOSJYWJEHQIAI-LSDHHAIUSA-N	1	0	358.442	1.764	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C	ZINC000874365164	990182192	/nfs/dbraw/zinc/18/21/92/990182192.db2.gz	QGKAEJMPJBIHAF-CVEARBPZSA-N	1	0	356.426	1.591	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1	ZINC000298591740	990183006	/nfs/dbraw/zinc/18/30/06/990183006.db2.gz	PLDYZSHEGAAMMT-QGZVFWFLSA-N	1	0	359.470	1.762	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c(F)cc1C#N	ZINC000874365301	990183648	/nfs/dbraw/zinc/18/36/48/990183648.db2.gz	DBZOHNMLTXAANZ-HUUCEWRRSA-N	1	0	360.389	1.340	20	30		FDEDRO
C[NH+](C)CCN1CCCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1	ZINC000365543948	990283915	/nfs/dbraw/zinc/28/39/15/990283915.db2.gz	BKRNQDDXCVBGCE-IBGZPJMESA-N	1	0	353.470	1.336	20	30		FDEDRO
C[C@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000371269143	990327091	/nfs/dbraw/zinc/32/70/91/990327091.db2.gz	QVWWPFSVEMLQMS-FUHWJXTLSA-N	1	0	369.465	1.251	20	30		FDEDRO
CCCNC(=O)CCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000371532738	990506994	/nfs/dbraw/zinc/50/69/94/990506994.db2.gz	ANUJCBUYUQQGLL-UHFFFAOYSA-N	1	0	356.470	1.967	20	30		FDEDRO
C#CCCOc1ccc(C[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)cc1	ZINC000371664431	990609095	/nfs/dbraw/zinc/60/90/95/990609095.db2.gz	SZRXNGPLIBSBPK-HXUWFJFHSA-N	1	0	357.498	1.585	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1	ZINC000875011303	990725710	/nfs/dbraw/zinc/72/57/10/990725710.db2.gz	OXUAIWKUNSILOG-IBGZPJMESA-N	1	0	371.481	1.443	20	30		FDEDRO
C[NH+](C)CCN1CCC(NC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1	ZINC000875056220	990799883	/nfs/dbraw/zinc/79/98/83/990799883.db2.gz	LAVNPSRGDHMCTP-LJQANCHMSA-N	1	0	355.486	1.351	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC2(CCNC2=O)CC1)C(C)C	ZINC000875087437	990867871	/nfs/dbraw/zinc/86/78/71/990867871.db2.gz	MEVZPWYQBZOYQV-KRWDZBQOSA-N	1	0	362.518	1.997	20	30		FDEDRO
CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1CCC(=O)Nc1ccccc1C#N	ZINC000372273139	990990152	/nfs/dbraw/zinc/99/01/52/990990152.db2.gz	LCBOSNNSHSNTMK-HOTGVXAUSA-N	1	0	359.426	1.929	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2c3ccccc3CN2C)CC1	ZINC000875182395	991021767	/nfs/dbraw/zinc/02/17/67/991021767.db2.gz	MPEBFSFCWQEHLK-LJQANCHMSA-N	1	0	370.497	1.446	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@H](C[NH+]2CCN(C)CC2)C1	ZINC000372369653	991049580	/nfs/dbraw/zinc/04/95/80/991049580.db2.gz	NJGQCIHADRNXRT-IEBWSBKVSA-N	1	0	369.513	1.845	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)Nc1cc(C)n(-c2cccc(C#N)c2)n1	ZINC000372476024	991144963	/nfs/dbraw/zinc/14/49/63/991144963.db2.gz	UAOVOGJCLQTIOU-UHFFFAOYSA-N	1	0	370.457	2.142	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)C1CCN(Cc2ccncc2)CC1	ZINC000372581555	991243504	/nfs/dbraw/zinc/24/35/04/991243504.db2.gz	DNYZWDPUEUFGFL-KRWDZBQOSA-N	1	0	357.502	1.986	20	30		FDEDRO
N#Cc1ccc(CCC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1	ZINC000372606100	991262308	/nfs/dbraw/zinc/26/23/08/991262308.db2.gz	NKSUHYWPOXRLTG-IBGZPJMESA-N	1	0	356.470	1.014	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1	ZINC000372627352	991278791	/nfs/dbraw/zinc/27/87/91/991278791.db2.gz	ZOKHAEJAPKVIDI-PKOBYXMFSA-N	1	0	370.497	1.954	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1	ZINC000875307195	991292062	/nfs/dbraw/zinc/29/20/62/991292062.db2.gz	WUSUTCCARQEOLS-MRXNPFEDSA-N	1	0	353.507	1.712	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@H]1CO	ZINC000372651726	991300355	/nfs/dbraw/zinc/30/03/55/991300355.db2.gz	KFLRDFRCFFQXAE-SJORKVTESA-N	1	0	370.453	1.253	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1	ZINC000875350779	991373278	/nfs/dbraw/zinc/37/32/78/991373278.db2.gz	QTZYPGJKWAWPFJ-NQIIRXRSSA-N	1	0	371.481	1.169	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)c1	ZINC000372713022	991377222	/nfs/dbraw/zinc/37/72/22/991377222.db2.gz	ISCSEXVXQTVJRX-OAHLLOKOSA-N	1	0	361.442	1.105	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)cc1	ZINC000373115529	991930713	/nfs/dbraw/zinc/93/07/13/991930713.db2.gz	LMJNXPOTEOKLPA-OALUTQOASA-N	1	0	356.470	1.407	20	30		FDEDRO
CCc1nnc(N2CCC(O)(C[NH+]3CCOCC3)CC2)c(C#N)c1CC	ZINC000373257054	992067610	/nfs/dbraw/zinc/06/76/10/992067610.db2.gz	RZIXXQBWHSALIO-UHFFFAOYSA-N	1	0	359.474	1.137	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2nccn2-c2ccccc2)CC1	ZINC000411255286	992291643	/nfs/dbraw/zinc/29/16/43/992291643.db2.gz	GVCZVPCNOWZADX-UHFFFAOYSA-N	1	0	353.426	1.577	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CCO1	ZINC000876281424	992521354	/nfs/dbraw/zinc/52/13/54/992521354.db2.gz	ROUOUOIHQXMXLO-MOPGFXCFSA-N	1	0	356.470	1.778	20	30		FDEDRO
C#CC[C@@H]1CCCN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1	ZINC000825877260	992598380	/nfs/dbraw/zinc/59/83/80/992598380.db2.gz	WRLPVEMBOVZBSL-QGZVFWFLSA-N	1	0	370.497	1.923	20	30		FDEDRO
COC[C@]1(C[NH+](C)C)COCCN1C(=O)[C@@H](C)Oc1ccccc1C#N	ZINC000876471023	992628442	/nfs/dbraw/zinc/62/84/42/992628442.db2.gz	KGZSTGZLZMRCGW-DNVCBOLYSA-N	1	0	361.442	1.131	20	30		FDEDRO
COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1cc(C#N)cc(N(C)C)c1	ZINC000876475168	992646847	/nfs/dbraw/zinc/64/68/47/992646847.db2.gz	LUVRWJBZFWGJEA-IBGZPJMESA-N	1	0	360.458	1.043	20	30		FDEDRO
C=CCN1CC[C@H]([NH+]2CCC(NC(=O)c3cccc(OC)c3)CC2)C1=O	ZINC000374161540	992658545	/nfs/dbraw/zinc/65/85/45/992658545.db2.gz	ORZMYGJHNGGJGF-SFHVURJKSA-N	1	0	357.454	1.676	20	30		FDEDRO
C[NH+](C)CC1(NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCC1	ZINC000374166802	992664622	/nfs/dbraw/zinc/66/46/22/992664622.db2.gz	YXFYNFMQOFZQLS-UHFFFAOYSA-N	1	0	356.405	2.489	20	30		FDEDRO
CC(C)(C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)c1ccc(C#N)cc1	ZINC000876512730	992677129	/nfs/dbraw/zinc/67/71/29/992677129.db2.gz	WPZCMRIGBXZZLO-QGZVFWFLSA-N	1	0	368.481	1.506	20	30		FDEDRO
C[C@@H](C(=O)NC1CC1)N1CCN(Cc2cc(C#N)ccc2N(C)C)CC1	ZINC000876556947	992704290	/nfs/dbraw/zinc/70/42/90/992704290.db2.gz	YXDRZVWNWFUQCK-HNNXBMFYSA-N	1	0	355.486	1.409	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@@H](O)COc1ccccc1	ZINC000876602917	992732988	/nfs/dbraw/zinc/73/29/88/992732988.db2.gz	XLTNMHVOQMGTEG-APWZRJJASA-N	1	0	351.406	1.301	20	30		FDEDRO
CC[NH2+][C@@H](C)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1	ZINC000876606493	992737214	/nfs/dbraw/zinc/73/72/14/992737214.db2.gz	ACVQWLVLRUWOEO-OGAOFSLMSA-N	1	0	352.460	1.436	20	30		FDEDRO
CC[NH2+][C@@H](C)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1	ZINC000876606492	992737666	/nfs/dbraw/zinc/73/76/66/992737666.db2.gz	ACVQWLVLRUWOEO-IBPDABBASA-N	1	0	352.460	1.436	20	30		FDEDRO
C=CCNC(=O)c1ccc(N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)nc1	ZINC000374256246	992738124	/nfs/dbraw/zinc/73/81/24/992738124.db2.gz	NBNDNLAZPHEXSM-MRXNPFEDSA-N	1	0	357.502	1.602	20	30		FDEDRO
Cc1cccc(OC[C@H](O)CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)c1	ZINC000876619825	992746284	/nfs/dbraw/zinc/74/62/84/992746284.db2.gz	CLBXOBHFMHSTTF-XLIONFOSSA-N	1	0	365.433	1.610	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@@H](O)COc1ccc(F)cc1	ZINC000876620080	992747064	/nfs/dbraw/zinc/74/70/64/992747064.db2.gz	HKYBADLRWZWKEU-APWZRJJASA-N	1	0	369.396	1.440	20	30		FDEDRO
N#Cc1cccc(CN2CCC(NS(=O)(=O)[C@@H]3CCC[NH2+]C3)CC2)c1	ZINC000923651567	992777062	/nfs/dbraw/zinc/77/70/62/992777062.db2.gz	HOELQHHIMXQZGJ-GOSISDBHSA-N	1	0	362.499	1.194	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCN(c2ccc(O)cc2)CC1	ZINC000876707191	992813926	/nfs/dbraw/zinc/81/39/26/992813926.db2.gz	WUXRHCWCYGQIKT-FQEVSTJZSA-N	1	0	362.433	1.799	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1	ZINC000876709829	992814906	/nfs/dbraw/zinc/81/49/06/992814906.db2.gz	AYONUCALWMQNPY-OAHLLOKOSA-N	1	0	368.840	1.378	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1	ZINC000876713962	992820759	/nfs/dbraw/zinc/82/07/59/992820759.db2.gz	QZQQUKGWKOVYCT-DZKIICNBSA-N	1	0	370.925	1.105	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(Cc2ccc(OC)c(F)c2)CC1	ZINC000876714105	992820803	/nfs/dbraw/zinc/82/08/03/992820803.db2.gz	WRDZSPITROTFHD-OAHLLOKOSA-N	1	0	355.841	1.948	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1	ZINC000876735676	992851767	/nfs/dbraw/zinc/85/17/67/992851767.db2.gz	BEHJTJURNBPJTF-WMLDXEAASA-N	1	0	351.878	1.993	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCCN1CCc2sccc2C1	ZINC000876736637	992852833	/nfs/dbraw/zinc/85/28/33/992852833.db2.gz	MHSBWTTXNWDDTI-LJQANCHMSA-N	1	0	366.490	1.981	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N[C@@H]1CCN(CC(F)(F)F)C1	ZINC000876742874	992861162	/nfs/dbraw/zinc/86/11/62/992861162.db2.gz	XWYQWIFUDFUETI-UKRRQHHQSA-N	1	0	352.360	1.498	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(c2ncnc3ccsc32)CC1	ZINC000876762212	992884282	/nfs/dbraw/zinc/88/42/82/992884282.db2.gz	CKROFZTYWZLAEQ-LLVKDONJSA-N	1	0	351.863	1.810	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CCN1CCN(c2ccccc2)CC1	ZINC000876784835	992912810	/nfs/dbraw/zinc/91/28/10/992912810.db2.gz	LIVYDLYYZPJIEF-KRWDZBQOSA-N	1	0	350.894	1.737	20	30		FDEDRO
N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)Nc1cnn(C2CC[NH2+]CC2)c1	ZINC000876800400	992919591	/nfs/dbraw/zinc/91/95/91/992919591.db2.gz	LOUOPBTYMMYMNQ-SFHVURJKSA-N	1	0	350.426	1.505	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)s1	ZINC000876832527	992929801	/nfs/dbraw/zinc/92/98/01/992929801.db2.gz	DQVDIBYFEZHEQB-VXGBXAGGSA-N	1	0	357.501	1.012	20	30		FDEDRO
Cc1c(C#N)cccc1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1	ZINC000412458815	992933775	/nfs/dbraw/zinc/93/37/75/992933775.db2.gz	DNGNLGVOJGEWSB-UHFFFAOYSA-N	1	0	356.470	1.393	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC(Cn2cncn2)CC1	ZINC000876895422	992955144	/nfs/dbraw/zinc/95/51/44/992955144.db2.gz	BADPPBJCAFSLEX-SFHVURJKSA-N	1	0	350.426	1.275	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CC[C@H](OCc2ccncc2)C1	ZINC000876909599	992962710	/nfs/dbraw/zinc/96/27/10/992962710.db2.gz	CPMKXSRWGDSZBK-AZUAARDMSA-N	1	0	362.433	1.958	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CC[NH2+]C23CCC3)s1	ZINC000877003930	993005376	/nfs/dbraw/zinc/00/53/76/993005376.db2.gz	CYVOWQWMXPIJQU-ZDUSSCGKSA-N	1	0	369.512	1.156	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1	ZINC000375277278	993047053	/nfs/dbraw/zinc/04/70/53/993047053.db2.gz	XTFLIDCCAREHRG-XIRDDKMYSA-N	1	0	359.474	1.407	20	30		FDEDRO
C=C(Cl)C[C@H](NC(=O)c1cc(C2CC[NH2+]CC2)no1)C(=O)OCC	ZINC000877144052	993069011	/nfs/dbraw/zinc/06/90/11/993069011.db2.gz	FMPACZURPPTAPB-ZDUSSCGKSA-N	1	0	355.822	1.946	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21	ZINC001137116523	993081018	/nfs/dbraw/zinc/08/10/18/993081018.db2.gz	HLKJTVUUUISCDR-CEXWTWQISA-N	1	0	357.454	1.904	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH2+]CC3CCS(=O)(=O)CC3)C2=O)cc1	ZINC000877185923	993092402	/nfs/dbraw/zinc/09/24/02/993092402.db2.gz	XEBGQQWVWFCJDC-KRWDZBQOSA-N	1	0	361.467	1.468	20	30		FDEDRO
COc1ccc(N2CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC2)c(OC)c1	ZINC000877228377	993120250	/nfs/dbraw/zinc/12/02/50/993120250.db2.gz	YRPZDDIARNTFHC-MRXNPFEDSA-N	1	0	360.458	1.764	20	30		FDEDRO
COc1cccc([C@H]([NH3+])C(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1	ZINC000877296876	993193846	/nfs/dbraw/zinc/19/38/46/993193846.db2.gz	KOTMZCHAZHZLQN-SFHVURJKSA-N	1	0	351.410	1.310	20	30		FDEDRO
COCCN1CCO[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)CC[C@H]2C1=O	ZINC001137118262	993198451	/nfs/dbraw/zinc/19/84/51/993198451.db2.gz	RQCUPNZYQVJOTD-MOPGFXCFSA-N	1	0	373.453	1.285	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)c1	ZINC000923701776	993404526	/nfs/dbraw/zinc/40/45/26/993404526.db2.gz	XCGOSYOWZVTBGA-HIFRSBDPSA-N	1	0	351.472	1.208	20	30		FDEDRO
C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCO[C@H]1c1nccn1C)C2	ZINC001095559067	993471417	/nfs/dbraw/zinc/47/14/17/993471417.db2.gz	GQAJSBHAKIZASM-DFBDCSAJSA-N	1	0	356.470	1.633	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]C2CCN(C(=O)[C@H]3OCC[C@H]3C)CC2)c1	ZINC001202546687	993471812	/nfs/dbraw/zinc/47/18/12/993471812.db2.gz	RQNGPKPAABLBTE-QRWLVFNGSA-N	1	0	369.465	1.612	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)cc1OCCCC#N	ZINC000877720302	993476203	/nfs/dbraw/zinc/47/62/03/993476203.db2.gz	NIZZOODKAIEORE-GASCZTMLSA-N	1	0	357.410	1.424	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(-c3cccc(C#N)c3)no2)CC1	ZINC000468241980	993501224	/nfs/dbraw/zinc/50/12/24/993501224.db2.gz	AXOKDELZZIXETQ-OAHLLOKOSA-N	1	0	367.453	1.969	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@@]2(O)CCN(Cc3ccccc3)C2)CC1	ZINC000878018952	993615000	/nfs/dbraw/zinc/61/50/00/993615000.db2.gz	OJOJLZWWMTWDQZ-NRFANRHFSA-N	1	0	355.482	1.085	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccc(-n3nnnc3C)cc2F)CC1	ZINC000826014425	993627896	/nfs/dbraw/zinc/62/78/96/993627896.db2.gz	WEKKWZIUQHSJTN-UHFFFAOYSA-N	1	0	356.405	1.327	20	30		FDEDRO
C[C@H](CO)[N@@H+]1CCCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1	ZINC000469044451	993748867	/nfs/dbraw/zinc/74/88/67/993748867.db2.gz	SBLZHAVKLLGOJB-CQSZACIVSA-N	1	0	354.410	1.742	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1Br	ZINC000923715174	993792081	/nfs/dbraw/zinc/79/20/81/993792081.db2.gz	QAFJZPVJLMICJF-NWDGAFQWSA-N	1	0	370.272	1.551	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3c(c1)NC(=O)CO3)C2	ZINC001095697529	994082415	/nfs/dbraw/zinc/08/24/15/994082415.db2.gz	OXAGOHYNYQMBGS-YCPHGPKFSA-N	1	0	356.426	1.714	20	30		FDEDRO
C[C@@H]1C[N@@H+](C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)C[C@H](C)N1CC#N	ZINC000878772157	994214819	/nfs/dbraw/zinc/21/48/19/994214819.db2.gz	GWOSZINTSULGTG-JTDSTZFVSA-N	1	0	366.506	1.667	20	30		FDEDRO
C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C)C(=O)C(=O)OC	ZINC000777498279	994451359	/nfs/dbraw/zinc/45/13/59/994451359.db2.gz	OLVRVISRGOWUON-CYBMUJFWSA-N	1	0	366.487	1.715	20	30		FDEDRO
Cc1cc(NC(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)nn1CCC#N	ZINC000879078711	994516231	/nfs/dbraw/zinc/51/62/31/994516231.db2.gz	UHXPWKBDRUMLEO-MRXNPFEDSA-N	1	0	360.462	1.870	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3ccsc3c1)C2	ZINC001110888564	994548759	/nfs/dbraw/zinc/54/87/59/994548759.db2.gz	JZQDZWABEGGTHK-BMFZPTHFSA-N	1	0	370.478	1.934	20	30		FDEDRO
COCCN(CC(=O)Nc1sccc1C#N)CC1CC[NH+](C)CC1	ZINC000879126141	994560903	/nfs/dbraw/zinc/56/09/03/994560903.db2.gz	UJMRNFNUGOSKQN-UHFFFAOYSA-N	1	0	350.488	1.848	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)N(C)C	ZINC001110891840	994586626	/nfs/dbraw/zinc/58/66/26/994586626.db2.gz	BRSFCRKVSJTWKX-OAGGEKHMSA-N	1	0	371.547	1.592	20	30		FDEDRO
C=CC[NH+]1CCC(N2C(=O)N[C@@H]([C@@H](O)c3ccc(Cl)cc3)C2=O)CC1	ZINC000924596933	994864505	/nfs/dbraw/zinc/86/45/05/994864505.db2.gz	ASPTWXAAHXGJSH-HOTGVXAUSA-N	1	0	363.845	1.944	20	30		FDEDRO
COc1ccc([C@H]2CN(C[C@H](O)COc3ccc(C#N)cc3)CC[NH2+]2)cc1	ZINC000879519190	994972174	/nfs/dbraw/zinc/97/21/74/994972174.db2.gz	OOVWMRARJYOERJ-GHTZIAJQSA-N	1	0	367.449	1.953	20	30		FDEDRO
COc1cccc([C@H]2CN(CC(=O)NCc3cccc(C#N)c3)CC[NH2+]2)c1	ZINC000879525045	994977028	/nfs/dbraw/zinc/97/70/28/994977028.db2.gz	GQUWRTIOKQQMNX-HXUWFJFHSA-N	1	0	364.449	1.830	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1	ZINC000879591201	995059087	/nfs/dbraw/zinc/05/90/87/995059087.db2.gz	QXUSMEQGXYXYMH-SFHVURJKSA-N	1	0	372.444	1.891	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000879592418	995061531	/nfs/dbraw/zinc/06/15/31/995061531.db2.gz	KNPSSIJIDLWRDD-INIZCTEOSA-N	1	0	355.486	1.597	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)cc1	ZINC000925314917	995482777	/nfs/dbraw/zinc/48/27/77/995482777.db2.gz	FQBLNHSLSWXQLK-XJKSGUPXSA-N	1	0	366.487	1.707	20	30		FDEDRO
N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(CO)(CO)CC1)CCC2	ZINC000879969826	995486027	/nfs/dbraw/zinc/48/60/27/995486027.db2.gz	FTAZPSQAHFFMCT-UHFFFAOYSA-N	1	0	363.483	1.504	20	30		FDEDRO
N#Cc1ccc(Br)c(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)c1	ZINC000880072287	995609706	/nfs/dbraw/zinc/60/97/06/995609706.db2.gz	ZNVWCRJNOQOSGQ-LSDHHAIUSA-N	1	0	350.260	1.962	20	30		FDEDRO
CCOC(=O)[C@@H]1CN(CC(=O)N[C@](C)(C#N)C(C)C)C[C@H]1C(F)(F)F	ZINC000880155000	995691087	/nfs/dbraw/zinc/69/10/87/995691087.db2.gz	KKXLOYPOPXQVAF-LALPHHSUSA-N	1	0	363.380	1.714	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccccc1OCC#N)C2	ZINC000926177777	995960409	/nfs/dbraw/zinc/96/04/09/995960409.db2.gz	BBIZBTUHUUHDCK-ZTRFORPCSA-N	1	0	357.454	1.798	20	30		FDEDRO
Cc1c(C(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)cnn1CCC#N	ZINC000926180643	995963311	/nfs/dbraw/zinc/96/33/11/995963311.db2.gz	QERZZGQWURKSNE-MTNOOBJLSA-N	1	0	359.474	1.315	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cccc(C#CCO)c1)C2	ZINC000926191406	995970811	/nfs/dbraw/zinc/97/08/11/995970811.db2.gz	DPRRBRKAEXMETD-ANTGDGSKSA-N	1	0	356.466	1.240	20	30		FDEDRO
CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)COc3cccc(C#N)c3)C2)[C@H]1C(C)C	ZINC000926254405	996000247	/nfs/dbraw/zinc/00/02/47/996000247.db2.gz	IROBKXJOLGNFTC-VURPSTOHSA-N	1	0	371.481	1.923	20	30		FDEDRO
CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)CNc3ccc(C#N)cc3)C2)[C@@H]1C(C)C	ZINC000926258949	996004170	/nfs/dbraw/zinc/00/41/70/996004170.db2.gz	YPSXHRUMYRXFEQ-RMVXJAJNSA-N	1	0	370.497	1.956	20	30		FDEDRO
CCO[C@@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)C[NH+](C)C	ZINC000926829463	996327752	/nfs/dbraw/zinc/32/77/52/996327752.db2.gz	HXZUUXXQWABEMS-SFHVURJKSA-N	1	0	373.501	1.747	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1ncnn1C)C2	ZINC000965423163	1016059009	/nfs/dbraw/zinc/05/90/09/1016059009.db2.gz	CJJFTCWLRGVIBR-PWVIFBGPSA-N	1	0	359.474	1.313	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1	ZINC000887078722	996913712	/nfs/dbraw/zinc/91/37/12/996913712.db2.gz	BOWSEMUFJGZGRX-HXUWFJFHSA-N	1	0	354.454	1.509	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)Nc2ccccc2C(=O)NC(C)C)CCOCC1	ZINC000887123436	996954123	/nfs/dbraw/zinc/95/41/23/996954123.db2.gz	PAPCMKPGSCDKTK-UHFFFAOYSA-N	1	0	357.454	1.925	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N(C)CC(=O)Nc2ccc(C)cc2)CCOCC1	ZINC000887124418	996955354	/nfs/dbraw/zinc/95/53/54/996955354.db2.gz	CTAIXNSFXWJLRK-UHFFFAOYSA-N	1	0	357.454	1.554	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)NCCc2ccc(OC)c(OC)c2)CCOCC1	ZINC000887126125	996956188	/nfs/dbraw/zinc/95/61/88/996956188.db2.gz	XSFMSZZBNNANKN-UHFFFAOYSA-N	1	0	360.454	1.525	20	30		FDEDRO
C=CCNc1nc(-c2cn(CCN3CC[C@@H]([NH+](C)C)C3)nn2)c(C)s1	ZINC000887350233	997198821	/nfs/dbraw/zinc/19/88/21/997198821.db2.gz	ZWVLIHALQHVPHV-CQSZACIVSA-N	1	0	361.519	1.944	20	30		FDEDRO
N#Cc1ncc(C(F)(F)F)cc1-n1cc(CN2CCC[C@H]([NH3+])C2)nn1	ZINC000887411188	997245806	/nfs/dbraw/zinc/24/58/06/997245806.db2.gz	FTTJETQSCIRBRA-NSHDSACASA-N	1	0	351.336	1.476	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1ccc(N2CCCCC2=O)cc1	ZINC000264077993	997397268	/nfs/dbraw/zinc/39/72/68/997397268.db2.gz	GICFKHRWCYHGJY-UHFFFAOYSA-N	1	0	373.501	1.330	20	30		FDEDRO
C=C(C)CNC(=[NH2+])NCc1ccccc1OCC(=O)NC[C@H]1CCCO1	ZINC000264083239	997398446	/nfs/dbraw/zinc/39/84/46/997398446.db2.gz	IESULOJICHGLQS-MRXNPFEDSA-N	1	0	360.458	1.341	20	30		FDEDRO
Cn1c(=O)c(C#N)c(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n(C)c1=O	ZINC000264248120	997439257	/nfs/dbraw/zinc/43/92/57/997439257.db2.gz	AWWOPTSPURYTGE-OAHLLOKOSA-N	1	0	359.474	1.048	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCC(=O)N2CCc3ccccc32)CC1	ZINC000264254158	997439267	/nfs/dbraw/zinc/43/92/67/997439267.db2.gz	HZVFCHMNCXPAGO-UHFFFAOYSA-N	1	0	373.457	1.101	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1	ZINC000264441826	997513263	/nfs/dbraw/zinc/51/32/63/997513263.db2.gz	OBKLEOFEWUDORD-UHFFFAOYSA-N	1	0	357.458	1.873	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(=O)OCC)cc2)CC1	ZINC000264460323	997517128	/nfs/dbraw/zinc/51/71/28/997517128.db2.gz	PRPJKQVHUYNHNR-UHFFFAOYSA-N	1	0	373.453	1.959	20	30		FDEDRO
COc1ccc(C[NH2+]CCCN2CCC[C@@H]2C(N)=O)cc1OCCCC#N	ZINC000264618459	997555962	/nfs/dbraw/zinc/55/59/62/997555962.db2.gz	RBWOQZDLNOFZHZ-QGZVFWFLSA-N	1	0	374.485	1.807	20	30		FDEDRO
CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000264985560	997666841	/nfs/dbraw/zinc/66/68/41/997666841.db2.gz	VSKRHPIQQBBNQY-MSUUIHNZSA-N	1	0	360.370	1.610	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(C(=O)c2ccccc2OC(C)C)CC1	ZINC000265080576	997692201	/nfs/dbraw/zinc/69/22/01/997692201.db2.gz	XKBUVFNVLOMZDS-UHFFFAOYSA-N	1	0	357.454	1.371	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCO[C@@H](CNC(C)=O)C1)C(C)C	ZINC000265375098	997776430	/nfs/dbraw/zinc/77/64/30/997776430.db2.gz	HTURKFSODAFGST-ROUUACIJSA-N	1	0	366.506	1.232	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)Nc3ccc(C#N)cn3)cn2)CC1	ZINC000889220700	998228598	/nfs/dbraw/zinc/22/85/98/998228598.db2.gz	GVVIYZNBRZOKNT-UHFFFAOYSA-N	1	0	351.414	1.422	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1	ZINC000889658323	998506838	/nfs/dbraw/zinc/50/68/38/998506838.db2.gz	CMHTXSIFOCPDFE-UHFFFAOYSA-N	1	0	370.497	1.498	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1cccc(CC#N)n1	ZINC000889798928	998668049	/nfs/dbraw/zinc/66/80/49/998668049.db2.gz	CQHLLRBKBLNKPQ-OAHLLOKOSA-N	1	0	357.458	1.857	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(C3CC3)c(C#N)c2)CCOCC1	ZINC000889926458	998729452	/nfs/dbraw/zinc/72/94/52/998729452.db2.gz	SBKBGBMHBKAVMX-UHFFFAOYSA-N	1	0	370.453	1.601	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1	ZINC000826669129	998754624	/nfs/dbraw/zinc/75/46/24/998754624.db2.gz	ZGDBAMPBFVGKAC-DVSFIDLUSA-N	1	0	374.485	1.816	20	30		FDEDRO
C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000890057927	998796424	/nfs/dbraw/zinc/79/64/24/998796424.db2.gz	QTQQRLGOWBSWRL-YOEHRIQHSA-N	1	0	355.442	1.185	20	30		FDEDRO
C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000890137358	998835420	/nfs/dbraw/zinc/83/54/20/998835420.db2.gz	DGPNWRYDHPMRAC-CRAIPNDOSA-N	1	0	369.469	1.528	20	30		FDEDRO
C[C@H](CC#N)NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000890144547	998841644	/nfs/dbraw/zinc/84/16/44/998841644.db2.gz	FMGOSCYPWQIXFN-PBHICJAKSA-N	1	0	355.442	1.328	20	30		FDEDRO
CSc1ccc(CNC(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1C#N	ZINC000890450748	998948442	/nfs/dbraw/zinc/94/84/42/998948442.db2.gz	JYZKRRCCRNRBBE-MRXNPFEDSA-N	1	0	362.499	1.926	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cccc(OCC)n1)C2	ZINC001110838437	999007198	/nfs/dbraw/zinc/00/71/98/999007198.db2.gz	RRAPEQTYUCIAPE-KURKYZTESA-N	1	0	359.470	1.947	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)Cc3ccccc3CC#N)CC2)CC1	ZINC000777375230	999044993	/nfs/dbraw/zinc/04/49/93/999044993.db2.gz	OZTZHECGJGOZDT-UHFFFAOYSA-N	1	0	354.498	1.970	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncc(-n3ccnn3)c1)C2	ZINC001110858598	999056369	/nfs/dbraw/zinc/05/63/69/999056369.db2.gz	HRUSJGOEGBKVEQ-NXHRZFHOSA-N	1	0	352.442	1.964	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1	ZINC000266646307	999209017	/nfs/dbraw/zinc/20/90/17/999209017.db2.gz	FNUPBGKFSUDSKI-INIZCTEOSA-N	1	0	373.453	1.371	20	30		FDEDRO
C#CCOc1ccccc1CNC(=[NH2+])NC1CCN(C(=O)OCC)CC1	ZINC000267402431	999326760	/nfs/dbraw/zinc/32/67/60/999326760.db2.gz	GGKGAHHUWFVKBI-UHFFFAOYSA-N	1	0	358.442	1.724	20	30		FDEDRO
C[N@H+](CCNC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)C1CC1	ZINC000269855012	999476401	/nfs/dbraw/zinc/47/64/01/999476401.db2.gz	YPGDILFRSALZHI-UHFFFAOYSA-N	1	0	369.450	1.831	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CO)C[C@H](O)c2ccccc2)CC1	ZINC000270062032	999506236	/nfs/dbraw/zinc/50/62/36/999506236.db2.gz	KIDKSFHGCFQBQW-MOPGFXCFSA-N	1	0	361.486	1.811	20	30		FDEDRO
C#CC[C@H](NC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1)c1ccccc1	ZINC000270191484	999523941	/nfs/dbraw/zinc/52/39/41/999523941.db2.gz	DBWKBWHDZYICJI-IBGZPJMESA-N	1	0	370.497	1.947	20	30		FDEDRO
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)n1	ZINC000271563082	999712558	/nfs/dbraw/zinc/71/25/58/999712558.db2.gz	NHKNERUUVJZJEU-ZIAGYGMSSA-N	1	0	358.446	1.191	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1	ZINC000271641760	999720222	/nfs/dbraw/zinc/72/02/22/999720222.db2.gz	BDMVUHMUAAKYHM-OLZOCXBDSA-N	1	0	360.414	1.694	20	30		FDEDRO
COC(=O)CC[N@@H+]1CCN(CCOc2ccc(C#N)cc2OC)[C@H](C)C1	ZINC000271683268	999724876	/nfs/dbraw/zinc/72/48/76/999724876.db2.gz	CWVUNDVDGMPQSU-OAHLLOKOSA-N	1	0	361.442	1.515	20	30		FDEDRO
N#CCC[C@H](C#N)CN1C(=O)N[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1=O	ZINC000274368044	999738317	/nfs/dbraw/zinc/73/83/17/999738317.db2.gz	ZERUKZKWUFWYRO-VQIMIIECSA-N	1	0	351.410	1.626	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1	ZINC000284011367	999769754	/nfs/dbraw/zinc/76/97/54/999769754.db2.gz	NRDBHUYKFZMRKM-SFHVURJKSA-N	1	0	354.454	1.651	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N(C)Cc1ccc(C#N)cc1	ZINC000284887760	999878856	/nfs/dbraw/zinc/87/88/56/999878856.db2.gz	FKDLNRCTFSQOCW-JKSUJKDBSA-N	1	0	356.470	1.753	20	30		FDEDRO
C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000285787267	999921205	/nfs/dbraw/zinc/92/12/05/999921205.db2.gz	FFKSTHJSIRBRTQ-UXPWSPDFSA-N	1	0	368.481	1.849	20	30		FDEDRO
C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1[C@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000285890206	999923119	/nfs/dbraw/zinc/92/31/19/999923119.db2.gz	JZJABLQHWXZJHO-MNEFBYGVSA-N	1	0	354.454	1.459	20	30		FDEDRO
C[N@@H+]1CC[C@H]2OCCN(C(=O)CCCC(=O)Nc3ccccc3C#N)[C@@H]2C1	ZINC000285904399	999924281	/nfs/dbraw/zinc/92/42/81/999924281.db2.gz	SYQSHDSJFIRGMJ-QZTJIDSGSA-N	1	0	370.453	1.599	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N3CCO[C@H]4CC[N@@H+](C)C[C@H]43)CC2)o1	ZINC000285925029	999926129	/nfs/dbraw/zinc/92/61/29/999926129.db2.gz	URSMFJIAPZRALR-SJORKVTESA-N	1	0	373.457	1.003	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C(=O)NCCCCC#N)CC[N@@H+]1Cc1ccccc1	ZINC000286382351	999944172	/nfs/dbraw/zinc/94/41/72/999944172.db2.gz	DUJGAYPJPBIORI-QGZVFWFLSA-N	1	0	356.470	1.919	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(CCO)[C@@H]2CCc3ccccc32)CC1	ZINC000286422684	999944309	/nfs/dbraw/zinc/94/43/09/999944309.db2.gz	FZSOUCCPBRZACA-LJQANCHMSA-N	1	0	371.481	1.261	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1	ZINC000286588288	999945385	/nfs/dbraw/zinc/94/53/85/999945385.db2.gz	HMAQJPDHCUZJTJ-UHFFFAOYSA-N	1	0	359.470	1.834	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1	ZINC000287242002	999955869	/nfs/dbraw/zinc/95/58/69/999955869.db2.gz	HUKSSRRKZVZTQX-MRXNPFEDSA-N	1	0	359.470	1.668	20	30		FDEDRO
C#CCN(Cc1ccccc1)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C	ZINC000287653263	999959091	/nfs/dbraw/zinc/95/90/91/999959091.db2.gz	KCURLKKQJXOGSD-IBGZPJMESA-N	1	0	370.497	1.774	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C	ZINC000288050042	999986250	/nfs/dbraw/zinc/98/62/50/999986250.db2.gz	RXDDGSYHEBWDIH-KRWDZBQOSA-N	1	0	362.474	1.678	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1	ZINC000288439465	1000017143	/nfs/dbraw/zinc/01/71/43/1000017143.db2.gz	NYJMXMIICQQGSH-YRXWBPOGSA-N	1	0	371.481	1.645	20	30		FDEDRO
CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000289109595	1000075457	/nfs/dbraw/zinc/07/54/57/1000075457.db2.gz	PWXKAZVESYJYCK-UHFFFAOYSA-N	1	0	374.489	1.783	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CCNS(=O)(=O)c2cncc(C#N)c2)cc1	ZINC000290000502	1000123778	/nfs/dbraw/zinc/12/37/78/1000123778.db2.gz	YZHUHATVHLUCOH-UHFFFAOYSA-N	1	0	374.466	1.415	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@H]3C[N@H+](C4CC4)C[C@H]3C)CC2)c1C#N	ZINC000290722855	1000155199	/nfs/dbraw/zinc/15/51/99/1000155199.db2.gz	MESDAWREIIAXLA-WBMJQRKESA-N	1	0	374.514	1.638	20	30		FDEDRO
CC(C)CCOCCNC(=O)CN1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292091963	1000208759	/nfs/dbraw/zinc/20/87/59/1000208759.db2.gz	FQDRYCDRYZFHKU-QGZVFWFLSA-N	1	0	360.458	1.585	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC1(CS(C)(=O)=O)CC1	ZINC001110925230	1000908917	/nfs/dbraw/zinc/90/89/17/1000908917.db2.gz	PJPCGEFDJCCPNL-ZACQAIPSSA-N	1	0	366.527	1.726	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N[C@@H]3CC[NH2+]C34CCC4)cc21	ZINC000927805393	1001065375	/nfs/dbraw/zinc/06/53/75/1001065375.db2.gz	AWUJVVACHVURJK-MRXNPFEDSA-N	1	0	353.426	1.562	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)c1	ZINC000927819078	1001079566	/nfs/dbraw/zinc/07/95/66/1001079566.db2.gz	DSYVATFJDAGXPE-MRXNPFEDSA-N	1	0	373.453	1.465	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c(F)c1	ZINC000927845565	1001106354	/nfs/dbraw/zinc/10/63/54/1001106354.db2.gz	MVVKDXVLGMBCFZ-ONGXEEELSA-N	1	0	358.295	1.374	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c1C#N	ZINC000927849429	1001115642	/nfs/dbraw/zinc/11/56/42/1001115642.db2.gz	RGOHTVUSMQPQLC-NEPJUHHUSA-N	1	0	354.332	1.543	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1	ZINC000927850005	1001117419	/nfs/dbraw/zinc/11/74/19/1001117419.db2.gz	YDPDMKUCHKQCLX-NWDGAFQWSA-N	1	0	354.332	1.543	20	30		FDEDRO
[NH3+]CC[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1	ZINC000927885439	1001180437	/nfs/dbraw/zinc/18/04/37/1001180437.db2.gz	GGIIQRZLGIXCGF-QGZVFWFLSA-N	1	0	362.433	1.617	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(NC(=O)[C@H]3CC[C@@H](C)O3)CC2)CC1	ZINC000947040820	1001417383	/nfs/dbraw/zinc/41/73/83/1001417383.db2.gz	FBIRJSSVHKUXTL-CRAIPNDOSA-N	1	0	361.486	1.006	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H](C)Cc2c(C)nn(COCC)c2C)CC1	ZINC000928648838	1001607209	/nfs/dbraw/zinc/60/72/09/1001607209.db2.gz	DUHHHVHRUFIIEF-OAHLLOKOSA-N	1	0	360.502	1.886	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2c(C)nn(Cc3ccccc3)c2N)CC1	ZINC000928653761	1001610345	/nfs/dbraw/zinc/61/03/45/1001610345.db2.gz	ZNZOCFNHDAXHAS-UHFFFAOYSA-N	1	0	351.454	1.649	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cnc(OCc3ccccc3)cn2)CC1	ZINC000928653113	1001610407	/nfs/dbraw/zinc/61/04/07/1001610407.db2.gz	ZLUPDMGRKCUAFH-UHFFFAOYSA-N	1	0	350.422	1.883	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1	ZINC000928655245	1001611235	/nfs/dbraw/zinc/61/12/35/1001611235.db2.gz	SKGJSAUGANSJGW-INIZCTEOSA-N	1	0	365.474	1.226	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1	ZINC000928655115	1001611301	/nfs/dbraw/zinc/61/13/01/1001611301.db2.gz	REHMNPFNWPBNKF-UHFFFAOYSA-N	1	0	353.382	1.608	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1	ZINC000928656705	1001612596	/nfs/dbraw/zinc/61/25/96/1001612596.db2.gz	BXEGXWNWBYHLKW-AWEZNQCLSA-N	1	0	359.857	1.907	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1	ZINC000928657914	1001613194	/nfs/dbraw/zinc/61/31/94/1001613194.db2.gz	DVBSTKLNMDXZIR-UHFFFAOYSA-N	1	0	366.465	1.927	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CC1	ZINC000928657928	1001613217	/nfs/dbraw/zinc/61/32/17/1001613217.db2.gz	FLAFTCSTUFUAFX-UHFFFAOYSA-N	1	0	369.874	1.539	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Cc2sc(-c3ccn(C)n3)nc2C)CC1	ZINC000928659869	1001615342	/nfs/dbraw/zinc/61/53/42/1001615342.db2.gz	BZBTZLODRYDSJD-UHFFFAOYSA-N	1	0	357.483	1.608	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccccc3OCC)C2)CC1	ZINC000928661291	1001615915	/nfs/dbraw/zinc/61/59/15/1001615915.db2.gz	POHFNFPWDOWBQN-MRXNPFEDSA-N	1	0	369.465	1.652	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)CC1	ZINC000928661020	1001615986	/nfs/dbraw/zinc/61/59/86/1001615986.db2.gz	KRYYTMJXSAVJBP-IBGZPJMESA-N	1	0	355.482	1.963	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C[NH+](C)C)C2	ZINC001110948870	1001643879	/nfs/dbraw/zinc/64/38/79/1001643879.db2.gz	OWYQFBRZJMGNPS-DZUCGIPZSA-N	1	0	374.485	1.367	20	30		FDEDRO
CCCCCCCCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000929143061	1001769863	/nfs/dbraw/zinc/76/98/63/1001769863.db2.gz	JPBXNUPPUCHPAP-IAGOWNOFSA-N	1	0	353.507	1.521	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)cc1C#N	ZINC000929172269	1001791063	/nfs/dbraw/zinc/79/10/63/1001791063.db2.gz	BBVDYJFESVPDEY-UHFFFAOYSA-N	1	0	356.470	1.864	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@]2(C)CCCN(c3ccnc(C#N)n3)C2)CC[N@@H+]1C	ZINC001110963739	1001797126	/nfs/dbraw/zinc/79/71/26/1001797126.db2.gz	LFLFBINHHGNCSI-RZQQEMMASA-N	1	0	370.501	1.801	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H](CC)c1ccc(OC)cc1)C1CC[NH+](C)CC1	ZINC000929215107	1001821398	/nfs/dbraw/zinc/82/13/98/1001821398.db2.gz	BKFVTUKKVRQBEH-LJQANCHMSA-N	1	0	371.481	1.819	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCCOc1ccc(C)cc1C)C1CC[NH+](C)CC1	ZINC000929238220	1001841229	/nfs/dbraw/zinc/84/12/29/1001841229.db2.gz	NPLDWRCBQMJOLE-UHFFFAOYSA-N	1	0	371.481	1.354	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCCCOc1ccccc1)C1CC[NH+](C)CC1	ZINC000929256707	1001868653	/nfs/dbraw/zinc/86/86/53/1001868653.db2.gz	HNTDIGDCGIGDBK-UHFFFAOYSA-N	1	0	357.454	1.128	20	30		FDEDRO
N#Cc1cnc2ccccc2c1N1CC[NH+](C[C@H](O)C2(O)CCC2)CC1	ZINC000929427391	1002043973	/nfs/dbraw/zinc/04/39/73/1002043973.db2.gz	UPECPTVYAOWGSJ-SFHVURJKSA-N	1	0	352.438	1.504	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1	ZINC000948207159	1002177809	/nfs/dbraw/zinc/17/78/09/1002177809.db2.gz	GRJSBFFRRISVQA-SJKOYZFVSA-N	1	0	362.393	1.425	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1	ZINC000948410454	1002310937	/nfs/dbraw/zinc/31/09/37/1002310937.db2.gz	PXUZWGSERDLPSF-JQHSSLGASA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCCc1ccc(F)cc1F)C1CC[NH+](C)CC1	ZINC000929651746	1002311356	/nfs/dbraw/zinc/31/13/56/1002311356.db2.gz	MVKFTFXNBJBAGS-UHFFFAOYSA-N	1	0	363.408	1.180	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)CC1	ZINC000929693025	1002351759	/nfs/dbraw/zinc/35/17/59/1002351759.db2.gz	MYXDAWDGGUWWNV-IYBDPMFKSA-N	1	0	371.485	1.914	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)CC[N@@H+]1C	ZINC000948581863	1002471045	/nfs/dbraw/zinc/47/10/45/1002471045.db2.gz	GJSMKMIEUPXIHJ-VJUNAUMWSA-N	1	0	357.458	1.193	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3ccccc3)[C@@H](C)C2)CC1	ZINC000930007468	1002731036	/nfs/dbraw/zinc/73/10/36/1002731036.db2.gz	RJJQQCDKIQECSW-KRWDZBQOSA-N	1	0	370.497	1.490	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](c2ncccn2)C2CC2)CC1	ZINC000930010897	1002734524	/nfs/dbraw/zinc/73/45/24/1002734524.db2.gz	WDXOXSHXVNSTBX-INIZCTEOSA-N	1	0	357.458	1.201	20	30		FDEDRO
C=CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1	ZINC000948959531	1002876770	/nfs/dbraw/zinc/87/67/70/1002876770.db2.gz	YMBMDEPXEFOIIK-FGTMMUONSA-N	1	0	357.454	1.311	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)CC2)CC1	ZINC000948998105	1002915384	/nfs/dbraw/zinc/91/53/84/1002915384.db2.gz	LIGYJVAFGBOVEB-VQTJNVASSA-N	1	0	371.525	1.733	20	30		FDEDRO
C#CCN(C(=O)C(=O)NC[C@H](SC)C(C)(C)C)C1CC[NH+](C)CC1	ZINC000930349701	1003043424	/nfs/dbraw/zinc/04/34/24/1003043424.db2.gz	ZHESOQICPLVYFI-HNNXBMFYSA-N	1	0	353.532	1.436	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C	ZINC000949197221	1003084540	/nfs/dbraw/zinc/08/45/40/1003084540.db2.gz	JCVXSIAVOKXKGI-JFIYKMOQSA-N	1	0	371.481	1.780	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCOC2(CC[NH+]([C@H](C)COC)CC2)C1	ZINC000949209938	1003103521	/nfs/dbraw/zinc/10/35/21/1003103521.db2.gz	XLPGCCZAUJZTND-SQNIBIBYSA-N	1	0	366.502	1.696	20	30		FDEDRO
C#CCN(C(=O)C(=O)NC[C@H](c1cccnc1)C(C)C)C1CC[NH+](C)CC1	ZINC000930445759	1003141116	/nfs/dbraw/zinc/14/11/16/1003141116.db2.gz	MLIVEJMXGGGJOS-IBGZPJMESA-N	1	0	370.497	1.493	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H]1C[C@@H](OC)C1(CC)CC)C1CC[NH+](C)CC1	ZINC000930511400	1003221580	/nfs/dbraw/zinc/22/15/80/1003221580.db2.gz	ICUTXQKMFCSVHT-IAGOWNOFSA-N	1	0	363.502	1.252	20	30		FDEDRO
C=C(C)CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)C1	ZINC000949473166	1003372631	/nfs/dbraw/zinc/37/26/31/1003372631.db2.gz	UYRXJQAAWQGHKC-SJORKVTESA-N	1	0	363.502	1.548	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1	ZINC000930717025	1003428206	/nfs/dbraw/zinc/42/82/06/1003428206.db2.gz	DWSNMOMDCPTNNC-HNNXBMFYSA-N	1	0	360.483	1.711	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@@H](O)C2)C1	ZINC000966368891	1016795662	/nfs/dbraw/zinc/79/56/62/1016795662.db2.gz	MKDFSLXECKCDME-BBWFWOEESA-N	1	0	363.502	1.294	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1	ZINC000930973715	1003731653	/nfs/dbraw/zinc/73/16/53/1003731653.db2.gz	YVNXBUYHEYDONS-UHFFFAOYSA-N	1	0	355.446	1.410	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CCC)C[C@H]2C)cn1	ZINC000949838445	1003740672	/nfs/dbraw/zinc/74/06/72/1003740672.db2.gz	ILSNSVDSMGNKIL-ATZDWAIDSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=C[C@H](CO)[NH2+]C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2	ZINC000931067151	1003843387	/nfs/dbraw/zinc/84/33/87/1003843387.db2.gz	MDHSMSDVUSGJDS-CABCVRRESA-N	1	0	358.360	1.304	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000931192608	1003949232	/nfs/dbraw/zinc/94/92/32/1003949232.db2.gz	ZXUUEBWSCRWGNR-HZPDHXFCSA-N	1	0	351.491	1.153	20	30		FDEDRO
CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2cc(C#N)ccc2F)C1	ZINC000931594063	1004297797	/nfs/dbraw/zinc/29/77/97/1004297797.db2.gz	GKJNZPMEWGQGCO-HNNXBMFYSA-N	1	0	360.433	1.504	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2cc(C#N)ccc2F)[C@@H](C)C1	ZINC000931595743	1004299428	/nfs/dbraw/zinc/29/94/28/1004299428.db2.gz	MMZLELZPKCDAAM-GUYCJALGSA-N	1	0	360.433	1.502	20	30		FDEDRO
C#CCC1([NH2+]C[C@@H](O)CC2(O)CCC(C(=O)OCC)CC2)CCOCC1	ZINC000931760284	1004476956	/nfs/dbraw/zinc/47/69/56/1004476956.db2.gz	ICSUHCMZDDVCRI-GNZRSQJKSA-N	1	0	367.486	1.384	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC([C@]2(C)COC(=O)N2)CC1	ZINC000932089849	1004764245	/nfs/dbraw/zinc/76/42/45/1004764245.db2.gz	MQEUNWVYUZVVIM-KSSFIOAISA-N	1	0	362.474	1.928	20	30		FDEDRO
CN(C(=O)C[NH+]1CCC([C@@]2(C)COC(=O)N2)CC1)C1(C#N)CCCCC1	ZINC000932092017	1004765926	/nfs/dbraw/zinc/76/59/26/1004765926.db2.gz	QLSIFYAMMSWWBZ-GOSISDBHSA-N	1	0	362.474	1.882	20	30		FDEDRO
COc1ccc(N2CC[NH+](C[C@H](O)CN3CCC[C@H](C#N)C3)CC2)cc1	ZINC000932153677	1004797663	/nfs/dbraw/zinc/79/76/63/1004797663.db2.gz	QKXVRIGFPUSELX-MJGOQNOKSA-N	1	0	358.486	1.414	20	30		FDEDRO
N#Cc1cccc([C@H](NC(=O)NCC[NH+]2CCC(O)CC2)C(F)(F)F)c1	ZINC000932235928	1004844937	/nfs/dbraw/zinc/84/49/37/1004844937.db2.gz	WIVVBSVVFYPFDK-HNNXBMFYSA-N	1	0	370.375	1.918	20	30		FDEDRO
Cc1nc(CC2CC[NH+](C[C@H](O)COc3ccccc3C#N)CC2)no1	ZINC000932241805	1004848819	/nfs/dbraw/zinc/84/88/19/1004848819.db2.gz	NQJLXLQYLHNEPP-KRWDZBQOSA-N	1	0	356.426	1.944	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H]1CCCc2cccnc21)C1CC[NH+](C)CC1	ZINC000932748866	1005144358	/nfs/dbraw/zinc/14/43/58/1005144358.db2.gz	ZTGUACMGHPNTIC-QGZVFWFLSA-N	1	0	354.454	1.131	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC([C@@H]4COC(=O)N4)CC3)C2=O)cc1	ZINC000932778579	1005166476	/nfs/dbraw/zinc/16/64/76/1005166476.db2.gz	WSCHRBHPRQAVJX-ZWKOTPCHSA-N	1	0	368.437	1.874	20	30		FDEDRO
Cc1cccc(NCCNC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)n1	ZINC000932807120	1005190483	/nfs/dbraw/zinc/19/04/83/1005190483.db2.gz	NJANLKWEESBTDW-UHFFFAOYSA-N	1	0	351.410	1.448	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCC(O)(C3CCC3)CC2)CC1	ZINC000932819089	1005197240	/nfs/dbraw/zinc/19/72/40/1005197240.db2.gz	LMSRWPLOOVHVGT-GOSISDBHSA-N	1	0	362.518	1.306	20	30		FDEDRO
C[C@H](O)[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F	ZINC000932945562	1005263820	/nfs/dbraw/zinc/26/38/20/1005263820.db2.gz	ZMMZZQSSHTXSTD-HSNKUXOKSA-N	1	0	357.241	1.831	20	30		FDEDRO
C#CCC1([NH2+][C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CCC1	ZINC000933298638	1005535350	/nfs/dbraw/zinc/53/53/50/1005535350.db2.gz	FPQKKDNGJFGPFM-CQSZACIVSA-N	1	0	363.483	1.800	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N([C@@H]2CCS(=O)(=O)C2)C2CCCCC2)CCC1	ZINC000933304874	1005535667	/nfs/dbraw/zinc/53/56/67/1005535667.db2.gz	UYHXFVUCDRUOFM-QGZVFWFLSA-N	1	0	366.527	1.870	20	30		FDEDRO
CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC(c3ccc(C#N)cc3)CC2)CC1	ZINC000933613758	1005588970	/nfs/dbraw/zinc/58/89/70/1005588970.db2.gz	GHJCCKAKDORDCS-MRXNPFEDSA-N	1	0	368.481	1.817	20	30		FDEDRO
COc1ccccc1COC[C@@H](O)C[NH+]1CCC2(CC1)CC(=O)C=CO2	ZINC000933653566	1005599736	/nfs/dbraw/zinc/59/97/36/1005599736.db2.gz	FYUKRNWQIWBQEF-SFHVURJKSA-N	1	0	361.438	1.910	20	30		FDEDRO
COC(=O)[C@@H]1C[N@H+](CCOCCC#N)CC12CN(C(=O)OC(C)(C)C)C2	ZINC000934052689	1005680989	/nfs/dbraw/zinc/68/09/89/1005680989.db2.gz	PDTSSICQRFUYBU-AWEZNQCLSA-N	1	0	367.446	1.259	20	30		FDEDRO
CCOC(=O)N1CCC([C@@H](C)[NH2+]CC(=O)N(CC)C[C@@H](C)C#N)CC1	ZINC000778228269	1005709547	/nfs/dbraw/zinc/70/95/47/1005709547.db2.gz	XPZGXMYWRDGEPO-LSDHHAIUSA-N	1	0	352.479	1.841	20	30		FDEDRO
Cc1sc(NC(=O)CN2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c(C#N)c1C	ZINC000934261735	1005724614	/nfs/dbraw/zinc/72/46/14/1005724614.db2.gz	GJBUITSIJIOHSR-HZPDHXFCSA-N	1	0	362.499	1.706	20	30		FDEDRO
Cc1oc(NC(=O)[C@H](C)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c(C#N)c1C	ZINC000934265475	1005725443	/nfs/dbraw/zinc/72/54/43/1005725443.db2.gz	SYQQTMMBGWTQBE-RRQGHBQHSA-N	1	0	360.458	1.626	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@H](C)[C@@H](OC)c2ccccc2Cl)CC1	ZINC000778242960	1005736783	/nfs/dbraw/zinc/73/67/83/1005736783.db2.gz	IOCJWGNGYATTQR-DNVCBOLYSA-N	1	0	363.889	1.783	20	30		FDEDRO
CCCCCCC[NH+]1CCN(c2nc(N)nc(C(=O)OCC)n2)CC1	ZINC000934756578	1005793981	/nfs/dbraw/zinc/79/39/81/1005793981.db2.gz	BJBGWPMSMPFGCX-UHFFFAOYSA-N	1	0	350.467	1.723	20	30		FDEDRO
C#CCCCCCC[NH+]1CCN(c2nc(N)nc(C(=O)OCC)n2)CC1	ZINC000934759736	1005795349	/nfs/dbraw/zinc/79/53/49/1005795349.db2.gz	WJWNZZRBUIJPRJ-UHFFFAOYSA-N	1	0	360.462	1.336	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)nc1	ZINC000934834685	1005806817	/nfs/dbraw/zinc/80/68/17/1005806817.db2.gz	RIKFMTUIYLCMQU-DLBZAZTESA-N	1	0	363.483	1.866	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](OCC)C2CC2)nn1	ZINC001111112518	1006227538	/nfs/dbraw/zinc/22/75/38/1006227538.db2.gz	RHABZJQBLMNNGN-LMSBXDPUSA-N	1	0	359.474	1.614	20	30		FDEDRO
C[C@@H](O)c1cn(CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)nn1	ZINC000778447600	1006292105	/nfs/dbraw/zinc/29/21/05/1006292105.db2.gz	ZWSWKQFWSZODEI-OAHLLOKOSA-N	1	0	368.441	1.006	20	30		FDEDRO
Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)c1	ZINC001111126015	1006321646	/nfs/dbraw/zinc/32/16/46/1006321646.db2.gz	PRZYBCCLKKBXCA-ZRSRNVLSSA-N	1	0	366.465	1.460	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)C2CN(C(=O)C[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000954500643	1006820141	/nfs/dbraw/zinc/82/01/41/1006820141.db2.gz	YANZLAURFSSZHV-HKUYNNGSSA-N	1	0	357.498	1.437	20	30		FDEDRO
C=CCN1CC[C@@H](n2cc(-c3cccc(NC(=O)C[NH2+]C)c3)nn2)C1=O	ZINC000641110103	1006971210	/nfs/dbraw/zinc/97/12/10/1006971210.db2.gz	YIIBYPXBJZRSFV-MRXNPFEDSA-N	1	0	354.414	1.062	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CCOCC1	ZINC000641672822	1007106423	/nfs/dbraw/zinc/10/64/23/1007106423.db2.gz	ZVSINYMMXKQAAE-GOSISDBHSA-N	1	0	365.518	1.272	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1	ZINC000641841160	1007189735	/nfs/dbraw/zinc/18/97/35/1007189735.db2.gz	NDABEAOSYCOGQY-OALUTQOASA-N	1	0	364.534	1.781	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1	ZINC000955347037	1007350795	/nfs/dbraw/zinc/35/07/95/1007350795.db2.gz	QLQKCWJAYZYMOP-WMZOPIPTSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3nccs3)c1)C2	ZINC001111263968	1007351843	/nfs/dbraw/zinc/35/18/43/1007351843.db2.gz	IYHMLNKYBCSLQA-OAGGEKHMSA-N	1	0	373.482	1.867	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3nccs3)c1)C2	ZINC001111264669	1007353203	/nfs/dbraw/zinc/35/32/03/1007353203.db2.gz	ZBNNWSWZDKDZGI-OAGGEKHMSA-N	1	0	371.466	1.314	20	30		FDEDRO
CCn1cc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)nn1	ZINC001095799119	1007455330	/nfs/dbraw/zinc/45/53/30/1007455330.db2.gz	SFZFNPTYWKEBSV-QYZOEREBSA-N	1	0	364.453	1.634	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CCN(C(=O)C2([NH+](C)C)CCC2)C1	ZINC000957011510	1007517053	/nfs/dbraw/zinc/51/70/53/1007517053.db2.gz	LXIBUSVEPLFJSM-GJYPPUQNSA-N	1	0	363.502	1.559	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000957013866	1007530333	/nfs/dbraw/zinc/53/03/33/1007530333.db2.gz	KYBJQHRGPVNRIG-GMBSWORKSA-N	1	0	357.458	1.337	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCC[C@@H](n2ccnn2)CC1	ZINC000639826549	1007584977	/nfs/dbraw/zinc/58/49/77/1007584977.db2.gz	SLBPKGXLCCGPBW-MRXNPFEDSA-N	1	0	363.421	1.605	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@]2(C)CCN(C(=O)[C@H]3CC[C@@H](C)O3)C2)CC1	ZINC000957070835	1007648016	/nfs/dbraw/zinc/64/80/16/1007648016.db2.gz	YFXHFMULSQCFEH-WRWLIDTKSA-N	1	0	361.486	1.006	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1	ZINC000947649629	1007781329	/nfs/dbraw/zinc/78/13/29/1007781329.db2.gz	ACLQSEPDJUYGBD-FGTMMUONSA-N	1	0	365.518	1.661	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)C23CC[NH+](CC2)C3)C1	ZINC000957224371	1008013685	/nfs/dbraw/zinc/01/36/85/1008013685.db2.gz	MFXXCBYBEQFLGM-JTDSTZFVSA-N	1	0	361.486	1.171	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC(C)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cn1	ZINC000956386745	1008090229	/nfs/dbraw/zinc/09/02/29/1008090229.db2.gz	SKRNFOOUSGAMSF-CRAIPNDOSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCCO[C@H](C[NH3+])C1	ZINC000643605660	1008160290	/nfs/dbraw/zinc/16/02/90/1008160290.db2.gz	VVWGGBVFYTWEEZ-MRXNPFEDSA-N	1	0	356.426	1.627	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C#CC2CC2)CC[N@@H+]1C	ZINC000959734701	1008628680	/nfs/dbraw/zinc/62/86/80/1008628680.db2.gz	WGBCBKUIROJGJO-IQZDNPOKSA-N	1	0	357.498	1.626	20	30		FDEDRO
CC[N@@H+]1CCN(CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)[C@@H](C)C1	ZINC000796316167	1008673670	/nfs/dbraw/zinc/67/36/70/1008673670.db2.gz	MABMVDZBDJCLIZ-ZFWWWQNUSA-N	1	0	353.426	1.538	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)nn1	ZINC000648843024	1008673959	/nfs/dbraw/zinc/67/39/59/1008673959.db2.gz	TZLHZRCWDJFWOI-DLBZAZTESA-N	1	0	355.442	1.077	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)cc1	ZINC000646484149	1008821775	/nfs/dbraw/zinc/82/17/75/1008821775.db2.gz	NNIJKKYTUYDCGV-CZUORRHYSA-N	1	0	351.472	1.316	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1n[nH]c(=O)c3ccccc31)C2	ZINC001111307503	1008882577	/nfs/dbraw/zinc/88/25/77/1008882577.db2.gz	LQPPVQKWZSHQJJ-XYPHTWIQSA-N	1	0	368.437	1.873	20	30		FDEDRO
C=CCN1CC[C@H](N2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[N@@H+](C)CCC)C3)C1=O	ZINC001111307834	1008885616	/nfs/dbraw/zinc/88/56/16/1008885616.db2.gz	ZYUCOAZCPWETSQ-BDXSIMOUSA-N	1	0	362.518	1.227	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccn2c[nH+]cc2c1	ZINC000950230832	1008913616	/nfs/dbraw/zinc/91/36/16/1008913616.db2.gz	MYBDXVDIIXJUNC-NXHRZFHOSA-N	1	0	368.437	1.646	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C(C)(C)C(F)F)C[C@H]2C)CC1	ZINC000958664653	1008923878	/nfs/dbraw/zinc/92/38/78/1008923878.db2.gz	PPXVCSWRYBWDMF-UKRRQHHQSA-N	1	0	369.456	1.586	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@]34C[C@@H]3CCCC4)C[C@H]2C)CC1	ZINC000958669831	1008937943	/nfs/dbraw/zinc/93/79/43/1008937943.db2.gz	ARTYKMFBDDMHSD-TXXUCJGISA-N	1	0	371.525	1.875	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3CCCC[N@H+]3CC)C2)c1	ZINC000958715229	1008986261	/nfs/dbraw/zinc/98/62/61/1008986261.db2.gz	RGASISFOVYKDBO-ATZDWAIDSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C	ZINC000950390176	1009117837	/nfs/dbraw/zinc/11/78/37/1009117837.db2.gz	OJRGCSLMXSWVSF-XZKMEQPCSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C	ZINC000950432579	1009167496	/nfs/dbraw/zinc/16/74/96/1009167496.db2.gz	VBTLLDCAQDFQOE-UHOSZYNNSA-N	1	0	371.481	1.670	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc(C(N)=O)c3)C[C@H]21	ZINC000959949179	1009185715	/nfs/dbraw/zinc/18/57/15/1009185715.db2.gz	WLCVBNCZJWOILO-GFEQUFNTSA-N	1	0	369.465	1.313	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1	ZINC000646953875	1009330857	/nfs/dbraw/zinc/33/08/57/1009330857.db2.gz	JQGAKZRZVVCBDO-IBGZPJMESA-N	1	0	371.481	1.544	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@H]1CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC000950591638	1009354011	/nfs/dbraw/zinc/35/40/11/1009354011.db2.gz	SYOXOSQIZJYTKT-IXDOHACOSA-N	1	0	358.486	1.735	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C3CCC3)C[C@H]2C)CC1	ZINC000950592199	1009355504	/nfs/dbraw/zinc/35/55/04/1009355504.db2.gz	QOKAPGWZBUKTSN-JTDSTZFVSA-N	1	0	359.514	1.731	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]([NH3+])[C@@H](CC)C2)c1	ZINC000647004781	1009384135	/nfs/dbraw/zinc/38/41/35/1009384135.db2.gz	QAWLRLFTIODUBF-XJKSGUPXSA-N	1	0	351.472	1.350	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@]1(C)CCS(=O)(=O)N1)C2	ZINC001111322065	1009602955	/nfs/dbraw/zinc/60/29/55/1009602955.db2.gz	POCQWJGWEXMOMY-AIANPOQGSA-N	1	0	355.504	1.146	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1	ZINC000958860233	1009606677	/nfs/dbraw/zinc/60/66/77/1009606677.db2.gz	HMBKISPULSBUTP-YVSFHVDLSA-N	1	0	363.502	1.103	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCC(=O)NC2CCCCC2)CC1	ZINC000303989052	1009793869	/nfs/dbraw/zinc/79/38/69/1009793869.db2.gz	XICMSIZAIOMASC-UHFFFAOYSA-N	1	0	367.494	1.303	20	30		FDEDRO
N#Cc1cnc(NC2CC[NH+](CCNC(=O)C[C@@H]3C[C@H]3C3CC3)CC2)cn1	ZINC001111340384	1010188590	/nfs/dbraw/zinc/18/85/90/1010188590.db2.gz	XEWUSLKTGNDYSD-YJBOKZPZSA-N	1	0	368.485	1.777	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@H]2OCCN(C(=O)CC[C@H]3CCC[N@H+]3C)[C@H]2C1	ZINC000960560755	1010381678	/nfs/dbraw/zinc/38/16/78/1010381678.db2.gz	AVVCZYHGSVPFTI-IXDOHACOSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@H]3OCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]3C2)CC1	ZINC000960568580	1010389434	/nfs/dbraw/zinc/38/94/34/1010389434.db2.gz	HAKNKWCVJOOXOF-FGTMMUONSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1	ZINC000951084836	1010435476	/nfs/dbraw/zinc/43/54/76/1010435476.db2.gz	RAJABRQZJUSCRB-SQNIBIBYSA-N	1	0	368.437	1.646	20	30		FDEDRO
CCOC(=O)c1ccc(CNC(=[NH2+])NC2CCN(C(=O)OCC)CC2)o1	ZINC000304795191	1010491050	/nfs/dbraw/zinc/49/10/50/1010491050.db2.gz	VFPLNDBKDBREPR-UHFFFAOYSA-N	1	0	366.418	1.482	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@H]2OCCN(C(=O)c3ccc4c[nH+]cn4c3)[C@H]2C1	ZINC000960635056	1010505589	/nfs/dbraw/zinc/50/55/89/1010505589.db2.gz	NAOSESFBEVLMBY-DLBZAZTESA-N	1	0	368.437	1.598	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(C#N)s1	ZINC000960685272	1010601924	/nfs/dbraw/zinc/60/19/24/1010601924.db2.gz	UHNIYCHWAPQDOI-VBQJREDUSA-N	1	0	363.483	1.846	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCOc3cccnc3)=[NH+]C[C@H]2C1	ZINC000304991403	1010687944	/nfs/dbraw/zinc/68/79/44/1010687944.db2.gz	DFZZLUTWKYVYLO-AWEZNQCLSA-N	1	0	361.446	1.341	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC000951421426	1010824028	/nfs/dbraw/zinc/82/40/28/1010824028.db2.gz	PLFRPPMECVENKR-IKGGRYGDSA-N	1	0	361.486	1.171	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1-n1cnnn1)C2	ZINC001111383758	1010992438	/nfs/dbraw/zinc/99/24/38/1010992438.db2.gz	MOFNTSVNKFNLFH-KYJSFNMBSA-N	1	0	352.442	1.964	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCC[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)c1	ZINC000951957828	1011147577	/nfs/dbraw/zinc/14/75/77/1011147577.db2.gz	KMALLAAMRUXULS-CEXWTWQISA-N	1	0	368.481	1.514	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2nnc(C(C)C)[nH]2)C1	ZINC000962413784	1011243364	/nfs/dbraw/zinc/24/33/64/1011243364.db2.gz	DYRVPVVVBARYSX-NDTCATRNSA-N	1	0	361.490	1.894	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@H]2C[N@H+](C)Cc2cccc(C#N)c2)O1	ZINC000960722173	1011254657	/nfs/dbraw/zinc/25/46/57/1011254657.db2.gz	YUKGRIIHFIEUDD-LSTHTHJFSA-N	1	0	370.497	1.700	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)C(C)(C)[NH+]1CCCCC1	ZINC000952175755	1011378353	/nfs/dbraw/zinc/37/83/53/1011378353.db2.gz	OXDUNGDOTZNKMF-ZACQAIPSSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C1CCC(C(=O)N2CCO[C@@H]3CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]32)CC1	ZINC000960895847	1011642099	/nfs/dbraw/zinc/64/20/99/1011642099.db2.gz	RNIPUDYCZTYTBO-OKZBNKHCSA-N	1	0	363.502	1.511	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCCN3C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC000962876745	1011657208	/nfs/dbraw/zinc/65/72/08/1011657208.db2.gz	MTQZXGHILUNMRS-LFVTVUPYSA-N	1	0	369.469	1.432	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3OCCN(C(=O)C[N@H+]4CC[C@H](C)C4)[C@H]3C2)C1	ZINC000960953149	1011756557	/nfs/dbraw/zinc/75/65/57/1011756557.db2.gz	FOMRGUWFHZJRLT-BHYGNILZSA-N	1	0	361.486	1.123	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@@H](O)C1	ZINC000963017594	1011758590	/nfs/dbraw/zinc/75/85/90/1011758590.db2.gz	DUUZCJKNBNUKDE-ZACQAIPSSA-N	1	0	365.518	1.541	20	30		FDEDRO
C=CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1	ZINC000963551415	1012381256	/nfs/dbraw/zinc/38/12/56/1012381256.db2.gz	MJARICQEPQYGAC-PQAZSJQKSA-N	1	0	350.381	1.878	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)C2	ZINC001111412632	1012390498	/nfs/dbraw/zinc/39/04/98/1012390498.db2.gz	WWALUJYTWGXPGU-QXSJWSMHSA-N	1	0	355.504	1.146	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000953818602	1012529481	/nfs/dbraw/zinc/52/94/81/1012529481.db2.gz	ZCKMYFJZTNZQJI-BZSNNMDCSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1cn(C)nn1)C2	ZINC000963815856	1012731106	/nfs/dbraw/zinc/73/11/06/1012731106.db2.gz	MNSNZPLZBXXSTL-JUTOSJBISA-N	1	0	359.474	1.313	20	30		FDEDRO
C=C(Br)C[NH2+]C1CC2(CC(NC(=O)[C@]34C[C@H]3COC4)C2)C1	ZINC000963823635	1012743077	/nfs/dbraw/zinc/74/30/77/1012743077.db2.gz	VRIFJKZLIPZRJT-VBWFJGOSSA-N	1	0	355.276	1.949	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(-c3nncnn3)cc2)CC1	ZINC000650852682	1012841402	/nfs/dbraw/zinc/84/14/02/1012841402.db2.gz	NKHRFMCCAZTROS-UHFFFAOYSA-N	1	0	367.457	1.773	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@H]21	ZINC000961815232	1012881344	/nfs/dbraw/zinc/88/13/44/1012881344.db2.gz	NHVSLDDSSYKGKV-OWYFMNJBSA-N	1	0	350.850	1.174	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1	ZINC000967048380	1017085107	/nfs/dbraw/zinc/08/51/07/1017085107.db2.gz	XNDNWGIUNQGUJJ-IXDOHACOSA-N	1	0	363.502	1.417	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](NC(=O)NCC[NH+]3CCCCC3)C2=O)cc1	ZINC000191980032	178079265	/nfs/dbraw/zinc/07/92/65/178079265.db2.gz	HHTLTUZJYNHCQG-GOSISDBHSA-N	1	0	369.469	1.444	20	30		FDEDRO
CNC(=O)c1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1	ZINC000192245037	178105057	/nfs/dbraw/zinc/10/50/57/178105057.db2.gz	VQCJEGOTJSLFTI-IBGZPJMESA-N	1	0	362.433	1.809	20	30		FDEDRO
COCC[N@H+](C)CCCC1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1	ZINC000509203303	538944809	/nfs/dbraw/zinc/94/48/09/538944809.db2.gz	PAVYWZWXMHXMOK-INIZCTEOSA-N	1	0	374.551	1.536	20	30		FDEDRO
C[C@H](C(=O)Nc1ccccc1C#N)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1	ZINC000245442988	178358461	/nfs/dbraw/zinc/35/84/61/178358461.db2.gz	WSZKQWGBBHFNQH-IEBWSBKVSA-N	1	0	369.513	1.987	20	30		FDEDRO
Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1cc(C#N)n(C)c1	ZINC000513006687	538983953	/nfs/dbraw/zinc/98/39/53/538983953.db2.gz	BLEVUQNCXCSKCJ-UHFFFAOYSA-N	1	0	366.874	1.927	20	30		FDEDRO
N#CCCCS(=O)(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1	ZINC000518447080	539419805	/nfs/dbraw/zinc/41/98/05/539419805.db2.gz	WAQYIODNHQXRBE-UHFFFAOYSA-N	1	0	351.472	1.884	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CC)cc1	ZINC000521070120	539512746	/nfs/dbraw/zinc/51/27/46/539512746.db2.gz	DNFMKRRKJMKTHG-INIZCTEOSA-N	1	0	365.499	1.755	20	30		FDEDRO
N#Cc1cccc(OCCCCC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c1	ZINC000264790188	179202575	/nfs/dbraw/zinc/20/25/75/179202575.db2.gz	RJOBDAHLNLFPMA-SFHVURJKSA-N	1	0	372.469	1.563	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1	ZINC000265360431	179351971	/nfs/dbraw/zinc/35/19/71/179351971.db2.gz	FGBWTZATWSJDNZ-HNNXBMFYSA-N	1	0	358.442	1.742	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[NH+](CC2CCOCC2)CC1	ZINC000265493681	179390166	/nfs/dbraw/zinc/39/01/66/179390166.db2.gz	KYHAGDZFHMDJOT-INIZCTEOSA-N	1	0	356.470	1.929	20	30		FDEDRO
C[NH+]1CCN(c2cccc(-c3noc(Cc4ccc(C#N)nc4)n3)n2)CC1	ZINC000528149969	539737663	/nfs/dbraw/zinc/73/76/63/539737663.db2.gz	WQMVNUVFODIYSS-UHFFFAOYSA-N	1	0	361.409	1.741	20	30		FDEDRO
CC(C)(Oc1ccc(C#N)cc1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O	ZINC000268881491	180172364	/nfs/dbraw/zinc/17/23/64/180172364.db2.gz	FLVOHJRMMHFWSC-INIZCTEOSA-N	1	0	358.442	1.172	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC(C)([NH+]2CCOCC2)CC1	ZINC000528728310	539779433	/nfs/dbraw/zinc/77/94/33/539779433.db2.gz	AKFIZSLWMIPNIB-KRWDZBQOSA-N	1	0	362.518	1.904	20	30		FDEDRO
COC(=O)C[C@H]1CSCCN1[C@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000269580178	180334572	/nfs/dbraw/zinc/33/45/72/180334572.db2.gz	FESWWUNJMLORHF-HOTGVXAUSA-N	1	0	359.451	1.644	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCCCO[C@H]2CCOC2)cc1OC	ZINC000268068934	674072134	/nfs/dbraw/zinc/07/21/34/674072134.db2.gz	IYRJHVVPSDFSAW-HNNXBMFYSA-N	1	0	351.447	1.346	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]C1CCN(C(=O)c2ccoc2)CC1	ZINC000530229896	539914731	/nfs/dbraw/zinc/91/47/31/539914731.db2.gz	BEMWKIYWEJIBOI-SFHVURJKSA-N	1	0	369.421	1.785	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC(=O)N(C2CCCCC2)C1	ZINC000530232122	539915884	/nfs/dbraw/zinc/91/58/84/539915884.db2.gz	NJFVDIYQCHNGJV-SJLPKXTDSA-N	1	0	357.454	1.821	20	30		FDEDRO
CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(C#N)cc1OC	ZINC000530410397	539964597	/nfs/dbraw/zinc/96/45/97/539964597.db2.gz	BKCQEDNCSHNOEP-UHFFFAOYSA-N	1	0	358.442	1.840	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)N[C@@H](C)C[NH+]3CCCCC3)CC2)c1C#N	ZINC000530513704	539988958	/nfs/dbraw/zinc/98/89/58/539988958.db2.gz	AWKFNNOZOGQANO-HNNXBMFYSA-N	1	0	373.505	1.306	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@H]3C[C@H](C)[N@@H+](C4CC4)C3)cc2C1=O	ZINC000530766901	540038532	/nfs/dbraw/zinc/03/85/32/540038532.db2.gz	FGFNRHWHJABNQL-JSGCOSHPSA-N	1	0	353.422	1.824	20	30		FDEDRO
C[C@@H]1C[N@H+](C)CCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000532981645	540192611	/nfs/dbraw/zinc/19/26/11/540192611.db2.gz	LWJGXBDLPOKTSY-CQSZACIVSA-N	1	0	353.388	1.809	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)C[N@@H+]1C1CC1	ZINC000546896412	542254107	/nfs/dbraw/zinc/25/41/07/542254107.db2.gz	IJELUQZJCZKJFA-GOEBONIOSA-N	1	0	354.458	1.410	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)n(CCC#N)n1	ZINC000533454737	540249975	/nfs/dbraw/zinc/24/99/75/540249975.db2.gz	QXSNTLGZFSRUKB-INIZCTEOSA-N	1	0	372.473	1.521	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)n(CCC#N)n1	ZINC000533459298	540250359	/nfs/dbraw/zinc/25/03/59/540250359.db2.gz	WUPJTQWJNJKYFS-UHFFFAOYSA-N	1	0	372.473	1.567	20	30		FDEDRO
CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1cnc(C)c(C#N)c1	ZINC000489283238	538802866	/nfs/dbraw/zinc/80/28/66/538802866.db2.gz	YSGZFRVZTWZTIB-UHFFFAOYSA-N	1	0	354.476	1.241	20	30		FDEDRO
COCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2cccc(C(=O)OC)c2C#N)C1	ZINC000534487142	540372541	/nfs/dbraw/zinc/37/25/41/540372541.db2.gz	NUYAOGUQONGBEX-GOEBONIOSA-N	1	0	373.453	1.708	20	30		FDEDRO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)[C@@H]3CCNC3=O)sc2C1	ZINC000535379918	540469710	/nfs/dbraw/zinc/46/97/10/540469710.db2.gz	LPZBNLLQARUMJU-BXUZGUMPSA-N	1	0	360.483	1.893	20	30		FDEDRO
CCOC(=O)c1ccc(C#N)c(SCC(=O)NCCC[NH+](C)C)n1	ZINC000537429787	540729335	/nfs/dbraw/zinc/72/93/35/540729335.db2.gz	ZUFCENBVDVYBPQ-UHFFFAOYSA-N	1	0	350.444	1.290	20	30		FDEDRO
C=CC[C@H](CO)CNC(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000538184898	540822726	/nfs/dbraw/zinc/82/27/26/540822726.db2.gz	NTZRQYKFNZRFLN-FQEVSTJZSA-N	1	0	374.529	1.808	20	30		FDEDRO
C=CC[C@H](CO)CNC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000538212097	540825732	/nfs/dbraw/zinc/82/57/32/540825732.db2.gz	BGTNQCWBQDZXAR-PKOBYXMFSA-N	1	0	360.502	1.459	20	30		FDEDRO
CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(C)(C)[NH3+])cc1	ZINC000269045826	674106001	/nfs/dbraw/zinc/10/60/01/674106001.db2.gz	MXOQESXVLDRWKJ-HKWRFOASSA-N	1	0	366.487	1.955	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1	ZINC000539227224	540937188	/nfs/dbraw/zinc/93/71/88/540937188.db2.gz	QAGXZKTYJXGMRK-LLVKDONJSA-N	1	0	351.403	1.375	20	30		FDEDRO
CCc1ccc([C@@H](CO)[NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1	ZINC000541982856	541312681	/nfs/dbraw/zinc/31/26/81/541312681.db2.gz	BJMDDLIJQJWECH-UXHICEINSA-N	1	0	372.513	1.564	20	30		FDEDRO
CC(C)C[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1	ZINC000269252943	674108136	/nfs/dbraw/zinc/10/81/36/674108136.db2.gz	NCMZHVORTJNNPJ-QOBDKFOYSA-N	1	0	366.487	1.811	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)CC1	ZINC000543180410	541544583	/nfs/dbraw/zinc/54/45/83/541544583.db2.gz	SFODRWOCTWRRMD-NXOAAHMSSA-N	1	0	374.510	1.160	20	30		FDEDRO
N#CCc1ccc(C[NH+]2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1	ZINC000544072091	541709154	/nfs/dbraw/zinc/70/91/54/541709154.db2.gz	RJKRETASUVQRRT-UHFFFAOYSA-N	1	0	370.478	1.722	20	30		FDEDRO
CCOC(=O)C1CCC(O)(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)CC1	ZINC000277514263	181794751	/nfs/dbraw/zinc/79/47/51/181794751.db2.gz	QTJNNBQVSFXBHV-UHFFFAOYSA-N	1	0	372.469	1.560	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)C1	ZINC000283852017	182293720	/nfs/dbraw/zinc/29/37/20/182293720.db2.gz	FSTNSNBKNYZUSA-DOTOQJQBSA-N	1	0	356.470	1.972	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1)[NH+]1CCC(C)CC1	ZINC000283857218	182294526	/nfs/dbraw/zinc/29/45/26/182294526.db2.gz	FXRGRBDHXXFAAG-HZPDHXFCSA-N	1	0	356.470	1.972	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1	ZINC000545294709	541927486	/nfs/dbraw/zinc/92/74/86/541927486.db2.gz	DQEZSZRVGRVCNL-INIZCTEOSA-N	1	0	370.453	1.982	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NCC1([NH+](C)C)CCCCC1	ZINC000283869851	182299199	/nfs/dbraw/zinc/29/91/99/182299199.db2.gz	CJFZJUSYGUTCLB-UHFFFAOYSA-N	1	0	356.470	1.897	20	30		FDEDRO
CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)NCc2cccc(C#N)c2)c1	ZINC000284174417	182389340	/nfs/dbraw/zinc/38/93/40/182389340.db2.gz	ZAIYOIACWNWLDH-UHFFFAOYSA-N	1	0	364.449	1.943	20	30		FDEDRO
COc1ccc(C[NH+]2CCC3(CC2)NC(=O)NC3=O)cc1OCCCC#N	ZINC000545490332	541985772	/nfs/dbraw/zinc/98/57/72/541985772.db2.gz	JIQPWRSEMCNTPO-UHFFFAOYSA-N	1	0	372.425	1.552	20	30		FDEDRO
C[NH+](C)CC1(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)CCCC1	ZINC000545510740	541992279	/nfs/dbraw/zinc/99/22/79/541992279.db2.gz	DLXIVFZNWQLBHO-UHFFFAOYSA-N	1	0	370.501	1.907	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C	ZINC000545906017	542046477	/nfs/dbraw/zinc/04/64/77/542046477.db2.gz	LXMIZKRZRSJQST-INIZCTEOSA-N	1	0	367.457	2.395	20	30		FDEDRO
C[C@@H](C(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1)n1cnc(C#N)n1	ZINC000546268687	542134868	/nfs/dbraw/zinc/13/48/68/542134868.db2.gz	JJFNRBDASKYFBQ-HNNXBMFYSA-N	1	0	368.441	1.848	20	30		FDEDRO
CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCCn1cnc(C#N)n1	ZINC000286716902	183134615	/nfs/dbraw/zinc/13/46/15/183134615.db2.gz	HGWJIAMQTUXCND-QGZVFWFLSA-N	1	0	369.473	1.606	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)n1	ZINC000286970519	183183308	/nfs/dbraw/zinc/18/33/08/183183308.db2.gz	DUYQSRKCDVRLNL-AWEZNQCLSA-N	1	0	357.418	1.269	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1	ZINC000546712170	542206809	/nfs/dbraw/zinc/20/68/09/542206809.db2.gz	XAZVXNAFNUFWGS-INIZCTEOSA-N	1	0	370.453	1.696	20	30		FDEDRO
C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCn1cnc(C#N)n1	ZINC000287342803	183268245	/nfs/dbraw/zinc/26/82/45/183268245.db2.gz	GLWIERCBHUBRNI-CYBMUJFWSA-N	1	0	360.849	1.830	20	30		FDEDRO
CC[NH+](CC)CCOCCNC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000546749385	542217770	/nfs/dbraw/zinc/21/77/70/542217770.db2.gz	ZJXGGQPLLISGPJ-UHFFFAOYSA-N	1	0	374.489	1.143	20	30		FDEDRO
Cn1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1	ZINC000287626461	183339917	/nfs/dbraw/zinc/33/99/17/183339917.db2.gz	SUEFWTQCGCHOOS-UHFFFAOYSA-N	1	0	367.453	1.103	20	30		FDEDRO
C[C@@H]1C[C@H](S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CCO1	ZINC000295194268	184043779	/nfs/dbraw/zinc/04/37/79/184043779.db2.gz	LSDIXRYNVAFOJU-CRAIPNDOSA-N	1	0	365.499	1.819	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cc1Cl	ZINC000296444069	184167272	/nfs/dbraw/zinc/16/72/72/184167272.db2.gz	NPUCCOCGVBJXRQ-CQSZACIVSA-N	1	0	364.833	1.113	20	30		FDEDRO
C[C@@H](NC(=[NH2+])NCCCN1CCOCC1)c1ccc([S@@](C)=O)cc1	ZINC000270024605	674155627	/nfs/dbraw/zinc/15/56/27/674155627.db2.gz	BVHQDIJLXKAHAR-JBEBIEQOSA-N	1	0	352.504	1.112	20	30		FDEDRO
Cc1onc(CC(=O)N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)c1C#N	ZINC000548017569	542524436	/nfs/dbraw/zinc/52/44/36/542524436.db2.gz	VCMHIWXJIXFTPL-IFXJQAMLSA-N	1	0	370.457	1.672	20	30		FDEDRO
Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]Cc1cc(C#N)cs1	ZINC000548176439	542576401	/nfs/dbraw/zinc/57/64/01/542576401.db2.gz	LNMQEMDMIOWZBN-UHFFFAOYSA-N	1	0	358.470	1.158	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+]CCN3C(=O)NC4(CCCC4)C3=O)n2c1	ZINC000548176431	542576489	/nfs/dbraw/zinc/57/64/89/542576489.db2.gz	JHOMUHMOHHANNQ-UHFFFAOYSA-N	1	0	352.398	1.160	20	30		FDEDRO
C=CCn1c(COCC)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1	ZINC000548848530	542791195	/nfs/dbraw/zinc/79/11/95/542791195.db2.gz	GEOGBUKOUVKOMK-QGZVFWFLSA-N	1	0	362.522	1.605	20	30		FDEDRO
C[C@@H]1CN(CCC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C[C@@H](C)O1	ZINC000549111146	542838261	/nfs/dbraw/zinc/83/82/61/542838261.db2.gz	NWHNAVZHCXAWIT-HZPDHXFCSA-N	1	0	365.499	1.421	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1	ZINC000550313784	543065978	/nfs/dbraw/zinc/06/59/78/543065978.db2.gz	NUKLGCVZYILMPW-CYBMUJFWSA-N	1	0	356.348	1.813	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCOC[C@H]1CC)C(C)C	ZINC000551216765	543253666	/nfs/dbraw/zinc/25/36/66/543253666.db2.gz	CPLYHTMPHQMCAA-SJORKVTESA-N	1	0	351.491	1.439	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)n(CCC#N)n1	ZINC000551373253	543276214	/nfs/dbraw/zinc/27/62/14/543276214.db2.gz	ZVWOUJOMQMKTKL-SQWLQELKSA-N	1	0	372.473	1.232	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+][C@@H]3CCCN(CC(F)(F)F)C3=O)n2c1	ZINC000551803235	543343563	/nfs/dbraw/zinc/34/35/63/543343563.db2.gz	NTZOVFFZEPVRNE-CYBMUJFWSA-N	1	0	351.332	1.849	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N1CCC(CCCn2ccnc2)CC1	ZINC000552504292	543477640	/nfs/dbraw/zinc/47/76/40/543477640.db2.gz	RFJDDDRZDBYSAQ-UHFFFAOYSA-N	1	0	364.515	1.937	20	30		FDEDRO
C[C@H](CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C[NH+](C)C	ZINC000552884430	543532399	/nfs/dbraw/zinc/53/23/99/543532399.db2.gz	WCQCDMNWSAHOEP-CJNGLKHVSA-N	1	0	371.441	1.077	20	30		FDEDRO
C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000077540602	172128391	/nfs/dbraw/zinc/12/83/91/172128391.db2.gz	FBLQITNKMGJNNS-QGZVFWFLSA-N	1	0	368.412	1.925	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)N(C)Cc1cccc(C#N)c1)[NH+]1CCN(C)CC1	ZINC000079126228	172158795	/nfs/dbraw/zinc/15/87/95/172158795.db2.gz	WNYHOXVUHGDGST-LJQANCHMSA-N	1	0	357.502	1.972	20	30		FDEDRO
CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccc3C#N)CC2)C1	ZINC000085791490	172220206	/nfs/dbraw/zinc/22/02/06/172220206.db2.gz	PTFURZVZUIOEBD-INIZCTEOSA-N	1	0	362.499	1.352	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)[NH+]1CCCC1	ZINC000091206883	172277563	/nfs/dbraw/zinc/27/75/63/172277563.db2.gz	SVTALBXPBWIHCT-OAHLLOKOSA-N	1	0	374.489	1.685	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)CC1	ZINC000103492816	172368705	/nfs/dbraw/zinc/36/87/05/172368705.db2.gz	RYUMZTPNYZDUNA-INIZCTEOSA-N	1	0	371.485	1.371	20	30		FDEDRO
C[C@H]1C[C@H](CNc2c(C#N)c(=O)n(C)c(=O)n2C)C[N@@H+]1Cc1ccccc1	ZINC000128312430	173106423	/nfs/dbraw/zinc/10/64/23/173106423.db2.gz	GAKWJVIYMRMBEV-GOEBONIOSA-N	1	0	367.453	1.278	20	30		FDEDRO
Cc1cc(C#N)ccc1C(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1	ZINC000128771698	173119136	/nfs/dbraw/zinc/11/91/36/173119136.db2.gz	KDAFYOXAHUNMAH-MRXNPFEDSA-N	1	0	363.483	1.448	20	30		FDEDRO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1	ZINC000132329798	173228867	/nfs/dbraw/zinc/22/88/67/173228867.db2.gz	GMUJZOLVSIYLGK-VYDXJSESSA-N	1	0	371.489	1.297	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNc2nccc(C#N)c2[N+](=O)[O-])CC1	ZINC000133675536	173271782	/nfs/dbraw/zinc/27/17/82/173271782.db2.gz	YQRPWUFQYZFRQU-UHFFFAOYSA-N	1	0	353.386	1.620	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2ccc(C#N)cc2F)C[C@H](C)O1	ZINC000135762212	173352846	/nfs/dbraw/zinc/35/28/46/173352846.db2.gz	LWQDBEJXSKDSHV-BETUJISGSA-N	1	0	362.405	1.251	20	30		FDEDRO
N#Cc1ccc(OCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1	ZINC000160343649	173707413	/nfs/dbraw/zinc/70/74/13/173707413.db2.gz	RTPSLKUPBSSPKE-RTBURBONSA-N	1	0	357.454	1.821	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1C#N	ZINC000174864355	173965758	/nfs/dbraw/zinc/96/57/58/173965758.db2.gz	HSHDDDANLIRJFF-MRXNPFEDSA-N	1	0	370.453	1.376	20	30		FDEDRO
C[NH+](C)C1CCN(CCNS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1	ZINC000176920188	174094987	/nfs/dbraw/zinc/09/49/87/174094987.db2.gz	NWNDARFQJHQZMX-UHFFFAOYSA-N	1	0	370.906	1.516	20	30		FDEDRO
N#Cc1ccc(C[NH2+]Cc2ccc(C(=O)N3CCNC(=O)C3)cc2)s1	ZINC000176949509	174096598	/nfs/dbraw/zinc/09/65/98/174096598.db2.gz	AZDZTQDMGREZST-UHFFFAOYSA-N	1	0	354.435	1.482	20	30		FDEDRO
Cc1sc(NC(=O)CN2CC[NH+](C[C@@H]3CCOC3)CC2)c(C#N)c1C	ZINC000177374090	174126272	/nfs/dbraw/zinc/12/62/72/174126272.db2.gz	YDIDVSYQTNEUCR-HNNXBMFYSA-N	1	0	362.499	1.829	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Br)c(C)n1	ZINC000293291594	676343002	/nfs/dbraw/zinc/34/30/02/676343002.db2.gz	GUWXAEQKOMGLNF-UHFFFAOYSA-N	1	0	367.247	1.162	20	30		FDEDRO
Cn1cc(C[N@H+](C)C[C@H](O)CN2CCOCC2)c(-c2ccc(C#N)cc2)n1	ZINC000180184793	258363853	/nfs/dbraw/zinc/36/38/53/258363853.db2.gz	CDOXGOGVVGONTK-IBGZPJMESA-N	1	0	369.469	1.084	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](N3CC[NH+](C[C@H]4CCOC4)CC3)C2=O)cc1	ZINC000178821330	258336146	/nfs/dbraw/zinc/33/61/46/258336146.db2.gz	VDEORBRSXXYSEX-IEBWSBKVSA-N	1	0	354.454	1.318	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1	ZINC000193206194	258393239	/nfs/dbraw/zinc/39/32/39/258393239.db2.gz	NUGJNNYLRMQQBP-ZDUSSCGKSA-N	1	0	370.906	1.516	20	30		FDEDRO
COc1cccc(N2C[C@H]([NH2+]C[C@H]3CNc4c(C#N)cnn4C3)CC2=O)c1	ZINC000553425548	543634071	/nfs/dbraw/zinc/63/40/71/543634071.db2.gz	SGAGLLQZHUHOJA-DZGCQCFKSA-N	1	0	366.425	1.200	20	30		FDEDRO
CC(C)[C@H](C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)N1CCOCC1	ZINC000553490823	543646117	/nfs/dbraw/zinc/64/61/17/543646117.db2.gz	PZPRQOHMGWOQJP-QUCCMNQESA-N	1	0	361.486	1.439	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)C2CCC(CO)CC2)CC1	ZINC000553670870	543678616	/nfs/dbraw/zinc/67/86/16/543678616.db2.gz	LBSFXGBPRAHTPO-UHFFFAOYSA-N	1	0	351.491	1.153	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2oc3ccccc3c2OC)CC1	ZINC000553670924	543678689	/nfs/dbraw/zinc/67/86/89/543678689.db2.gz	MGSVZUJGWDWZIF-UHFFFAOYSA-N	1	0	371.437	1.824	20	30		FDEDRO
CN1C(=O)C[C@@H]([NH2+]CC(=O)NC2(C#N)CCC2)[C@@H]1c1ccc(Cl)cc1	ZINC000553911588	543716838	/nfs/dbraw/zinc/71/68/38/543716838.db2.gz	BAMOGMLXTNMWCU-PBHICJAKSA-N	1	0	360.845	1.764	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000554342740	543788206	/nfs/dbraw/zinc/78/82/06/543788206.db2.gz	DBKWGJFNOUHQQA-RDJZCZTQSA-N	1	0	359.470	1.809	20	30		FDEDRO
C=CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1	ZINC000554882486	543885833	/nfs/dbraw/zinc/88/58/33/543885833.db2.gz	BPXHBEUJQRMJEJ-KRWDZBQOSA-N	1	0	374.485	1.209	20	30		FDEDRO
C=C(C)Cn1c(CC(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1	ZINC000555270586	543933833	/nfs/dbraw/zinc/93/38/33/543933833.db2.gz	CHRPEPDWHPJXMY-INIZCTEOSA-N	1	0	374.533	1.842	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1	ZINC000555592356	543983024	/nfs/dbraw/zinc/98/30/24/543983024.db2.gz	OJMIVBZMQHEHGD-RTBURBONSA-N	1	0	372.469	1.576	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNCc2cnc3c(C#N)cnn3c2)CC1	ZINC000556207858	544118130	/nfs/dbraw/zinc/11/81/30/544118130.db2.gz	VMILXNASLZVKQV-UHFFFAOYSA-N	1	0	362.441	1.038	20	30		FDEDRO
COc1cc(CNC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)ccc1C#N	ZINC000557199773	544261982	/nfs/dbraw/zinc/26/19/82/544261982.db2.gz	KAPHZZHXXWYALX-HKUYNNGSSA-N	1	0	372.469	1.995	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCc3c2cccc3OC)CC1	ZINC000557620391	544319663	/nfs/dbraw/zinc/31/96/63/544319663.db2.gz	VJBRVTPINHTPHQ-QGZVFWFLSA-N	1	0	357.454	1.565	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1	ZINC000557890678	544360012	/nfs/dbraw/zinc/36/00/12/544360012.db2.gz	JJJYFCMHEXRAJF-OAHLLOKOSA-N	1	0	353.507	1.853	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@H+](C)[C@@H](C)C1CCN(S(=O)(=O)CC)CC1	ZINC000558173503	544393989	/nfs/dbraw/zinc/39/39/89/544393989.db2.gz	LJUSMRCLPRQHOX-HNNXBMFYSA-N	1	0	372.535	1.131	20	30		FDEDRO
C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[NH+](C2CCOCC2)CC1	ZINC000558676935	544501157	/nfs/dbraw/zinc/50/11/57/544501157.db2.gz	WGLGZCJTAZYNRH-DOTOQJQBSA-N	1	0	361.490	1.863	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)c1ccc(C#N)cc1	ZINC000559717125	544773256	/nfs/dbraw/zinc/77/32/56/544773256.db2.gz	XHXZTSGJVJMSOO-NNGSBXSVSA-N	1	0	354.454	1.869	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O	ZINC000560321206	544952774	/nfs/dbraw/zinc/95/27/74/544952774.db2.gz	XHMYIEQGSIBFAH-XKQJLSEDSA-N	1	0	370.453	1.745	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)nn1	ZINC000302015662	259037733	/nfs/dbraw/zinc/03/77/33/259037733.db2.gz	YHPQNBLNZHXBJV-QGZVFWFLSA-N	1	0	363.469	1.782	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C[C@H]1[NH+](C)C	ZINC000330601570	259152924	/nfs/dbraw/zinc/15/29/24/259152924.db2.gz	ZODRUEJGWRUSOQ-CHWSQXEVSA-N	1	0	370.456	1.133	20	30		FDEDRO
CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1sccc1C#N	ZINC000331186918	259180438	/nfs/dbraw/zinc/18/04/38/259180438.db2.gz	NUIZRFKHKGRVPI-RYUDHWBXSA-N	1	0	356.473	1.008	20	30		FDEDRO
Cc1cc(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c(C#N)cc1N(C)C	ZINC000331248294	259183230	/nfs/dbraw/zinc/18/32/30/259183230.db2.gz	WWCVMGGRHACSPZ-GJZGRUSLSA-N	1	0	359.474	1.852	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2CCO[C@@H](c3cccc(C#N)c3)C2)CC1	ZINC000331651772	259209955	/nfs/dbraw/zinc/20/99/55/259209955.db2.gz	WDICDRBVPFOAQR-LJQANCHMSA-N	1	0	356.470	1.532	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000331765768	259218733	/nfs/dbraw/zinc/21/87/33/259218733.db2.gz	CUWJOMSUOBCXHU-MRXNPFEDSA-N	1	0	355.442	1.542	20	30		FDEDRO
C[C@H](C(=O)Nc1ccccc1C#N)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1	ZINC000332086092	259240466	/nfs/dbraw/zinc/24/04/66/259240466.db2.gz	QZLSDMUSPXFONL-IAGOWNOFSA-N	1	0	369.513	1.986	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1	ZINC000332534905	259274551	/nfs/dbraw/zinc/27/45/51/259274551.db2.gz	XQUMUQAHNZEYGJ-UHFFFAOYSA-N	1	0	356.474	1.659	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)C2=O)cc1	ZINC000333641613	259365545	/nfs/dbraw/zinc/36/55/45/259365545.db2.gz	UMECQRXQGWJIBJ-SZMVWBNQSA-N	1	0	367.453	1.447	20	30		FDEDRO
N#Cc1cnc2ccccc2c1N1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1	ZINC000333679484	259369027	/nfs/dbraw/zinc/36/90/27/259369027.db2.gz	OOXNKGFJMNQHQC-HNNXBMFYSA-N	1	0	350.426	1.300	20	30		FDEDRO
N#Cc1ccc(OC2CCC(NC(=O)N3C[C@H]4C[NH2+]CC[C@@H]4C3)CC2)nc1	ZINC000333779908	259381099	/nfs/dbraw/zinc/38/10/99/259381099.db2.gz	KSRFHYKFDAWIQW-MRLCAUJQSA-N	1	0	369.469	1.894	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](N3CCNCC3=O)C2)cc1C(F)(F)F	ZINC000333925095	259394843	/nfs/dbraw/zinc/39/48/43/259394843.db2.gz	UHDRQNCLWUMPJW-CQSZACIVSA-N	1	0	352.360	1.978	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(NC(=O)c3ccc[nH]3)CC2)cc1	ZINC000363202856	259551737	/nfs/dbraw/zinc/55/17/37/259551737.db2.gz	YTYGXIPFFBIINX-QGZVFWFLSA-N	1	0	368.437	1.520	20	30		FDEDRO
CCc1nnc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(C#N)c1CC	ZINC000367199030	260008814	/nfs/dbraw/zinc/00/88/14/260008814.db2.gz	AEJRSFIAYFELJV-BEFAXECRSA-N	1	0	356.518	1.935	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)n1	ZINC000367551652	260059508	/nfs/dbraw/zinc/05/95/08/260059508.db2.gz	LPFJQMJSXVPDLQ-DLBZAZTESA-N	1	0	365.441	1.066	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)n1	ZINC000367551655	260060094	/nfs/dbraw/zinc/06/00/94/260060094.db2.gz	LPFJQMJSXVPDLQ-SJORKVTESA-N	1	0	365.441	1.066	20	30		FDEDRO
Cc1ncccc1O[C@@H]1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000367989796	260119871	/nfs/dbraw/zinc/11/98/71/260119871.db2.gz	RWTVAAVNGIAVJE-MRXNPFEDSA-N	1	0	372.450	1.584	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N2CCN(Cc3ccc(C#N)cc3)C(=O)C2)CC1	ZINC000368283898	260161194	/nfs/dbraw/zinc/16/11/94/260161194.db2.gz	ZIZYUQNUXOIYKM-UHFFFAOYSA-N	1	0	354.454	1.461	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC(O)(C[NH+]2CCOCC2)CC1	ZINC000368680483	260220204	/nfs/dbraw/zinc/22/02/04/260220204.db2.gz	MZGHJPBDKKGIQL-INIZCTEOSA-N	1	0	372.469	1.044	20	30		FDEDRO
COC(=O)c1cn([C@@H]2CC[N@H+](CCC(=O)Nc3sccc3C#N)C2)nn1	ZINC000368855887	260250147	/nfs/dbraw/zinc/25/01/47/260250147.db2.gz	UJZVOAAYOVXEOA-GFCCVEGCSA-N	1	0	374.426	1.273	20	30		FDEDRO
N#Cc1cccc(CNC(=O)CN2CCC(NC(=O)C3CCC3)CC2)c1	ZINC000368921889	260261142	/nfs/dbraw/zinc/26/11/42/260261142.db2.gz	ARJYAHCVIKDVNX-UHFFFAOYSA-N	1	0	354.454	1.555	20	30		FDEDRO
Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc(C#N)cc2)cn1	ZINC000369230847	260317567	/nfs/dbraw/zinc/31/75/67/260317567.db2.gz	VZEXJJCXFPLRKJ-QWFCFKBJSA-N	1	0	370.453	1.620	20	30		FDEDRO
C[NH+](C)[C@H]1CCc2ccccc2[C@H]1NS(=O)(=O)c1ccc(C#N)nc1	ZINC000369464257	260372436	/nfs/dbraw/zinc/37/24/36/260372436.db2.gz	BYKKANCFCGSSAM-ZWKOTPCHSA-N	1	0	356.451	1.849	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CCN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1	ZINC000371099481	260658383	/nfs/dbraw/zinc/65/83/83/260658383.db2.gz	LCASICQDBXJBGA-QRQLOZEOSA-N	1	0	359.495	1.748	20	30		FDEDRO
N#Cc1ccc(C2(C(=O)N3CCC(O)(C[NH+]4CCOCC4)CC3)CC2)cc1	ZINC000372430523	260864237	/nfs/dbraw/zinc/86/42/37/260864237.db2.gz	FSOUVNFGOGTPSS-UHFFFAOYSA-N	1	0	369.465	1.276	20	30		FDEDRO
COC(=O)[C@]12C[N@H+](CCC(=O)Nc3ccc(C#N)cc3)C[C@H]1COCC2	ZINC000373593873	261023340	/nfs/dbraw/zinc/02/33/40/261023340.db2.gz	MVYKDBFTVLNCAK-HNAYVOBHSA-N	1	0	357.410	1.398	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)[C@H]2C1	ZINC000374892202	261219606	/nfs/dbraw/zinc/21/96/06/261219606.db2.gz	JGKLMNIMDBSOMM-DYVFJYSZSA-N	1	0	350.426	1.492	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1	ZINC000375064601	261260684	/nfs/dbraw/zinc/26/06/84/261260684.db2.gz	JELOSJRJWNIWQR-MAUKXSAKSA-N	1	0	366.469	1.703	20	30		FDEDRO
CNS(=O)(=O)[C@H]1CCN(Cc2cccn2Cc2ccccc2C#N)C1	ZINC000375355931	261321475	/nfs/dbraw/zinc/32/14/75/261321475.db2.gz	LFJXHCPDEYFCEE-SFHVURJKSA-N	1	0	358.467	1.532	20	30		FDEDRO
N#Cc1cc(Cl)ccc1CN1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1	ZINC000375390824	261329250	/nfs/dbraw/zinc/32/92/50/261329250.db2.gz	IBBONEJRJPCYFA-KRWDZBQOSA-N	1	0	367.902	1.953	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@]2(CC[NH2+]C2)C1	ZINC000376752350	261643067	/nfs/dbraw/zinc/64/30/67/261643067.db2.gz	YKBGHXSJTSONRI-OAHLLOKOSA-N	1	0	350.400	1.231	20	30		FDEDRO
C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000408432628	262107484	/nfs/dbraw/zinc/10/74/84/262107484.db2.gz	OUEAFLBSYDPGEL-RYUDHWBXSA-N	1	0	350.400	1.324	20	30		FDEDRO
C[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)n1cnc(C#N)n1	ZINC000409595158	262128968	/nfs/dbraw/zinc/12/89/68/262128968.db2.gz	FGVBBLPNUVYICT-WBVHZDCISA-N	1	0	352.442	1.882	20	30		FDEDRO
C[C@@H](C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)n1cnc(C#N)n1	ZINC000409639279	262131023	/nfs/dbraw/zinc/13/10/23/262131023.db2.gz	QEJYDSRDBCILNY-KRWDZBQOSA-N	1	0	366.469	1.878	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C)n1cnc(C#N)n1	ZINC000409872189	262142905	/nfs/dbraw/zinc/14/29/05/262142905.db2.gz	ZWSNHYAGVSHJSY-PMPSAXMXSA-N	1	0	352.442	1.832	20	30		FDEDRO
CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H](C)n1cnc(C#N)n1	ZINC000409930537	262146376	/nfs/dbraw/zinc/14/63/76/262146376.db2.gz	HMWWCGPPUFQGCY-WBVHZDCISA-N	1	0	354.458	1.984	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)NC[C@H]3C[NH2+]CCO3)n2)c(Cl)c1	ZINC000520542573	490159916	/nfs/dbraw/zinc/15/99/16/490159916.db2.gz	SWNDNAVKYWMNKB-GFCCVEGCSA-N	1	0	360.805	1.507	20	30		FDEDRO
C=CCOc1ccc(CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1	ZINC000506208050	490855648	/nfs/dbraw/zinc/85/56/48/490855648.db2.gz	QUOSLQOIHDKZIS-UHFFFAOYSA-N	1	0	371.441	1.264	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)nn1CCC#N	ZINC000542357751	490894021	/nfs/dbraw/zinc/89/40/21/490894021.db2.gz	SHLWEDDTJKBSLB-AWEZNQCLSA-N	1	0	360.462	1.424	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccc(O)cc3)CC2)cc1	ZINC000029630561	519306854	/nfs/dbraw/zinc/30/68/54/519306854.db2.gz	YDCQURCBESXKHM-IBGZPJMESA-N	1	0	353.422	1.826	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)NCC[NH+](C(C)C)C(C)C)cc1	ZINC000032244659	519487010	/nfs/dbraw/zinc/48/70/10/519487010.db2.gz	ZNTHLHUNQBGFRF-UHFFFAOYSA-N	1	0	365.499	1.447	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCCC[NH+](CC)CC)c1	ZINC000041590342	519659939	/nfs/dbraw/zinc/65/99/39/519659939.db2.gz	DOVHNAPAEGSCAB-UHFFFAOYSA-N	1	0	353.488	1.613	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1cccc(OCC#N)c1)[N@@H+]1CCC[C@H](C)C1	ZINC000041654228	519663711	/nfs/dbraw/zinc/66/37/11/519663711.db2.gz	CVOSJYWJEHQIAI-GJZGRUSLSA-N	1	0	358.442	1.764	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1	ZINC000069317460	521856360	/nfs/dbraw/zinc/85/63/60/521856360.db2.gz	OIAKDXFXWALNNB-UHFFFAOYSA-N	1	0	372.469	1.843	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1	ZINC000070750525	522027040	/nfs/dbraw/zinc/02/70/40/522027040.db2.gz	AQMXCSCOVMZWCD-UHFFFAOYSA-N	1	0	358.442	1.908	20	30		FDEDRO
N#Cc1c(NC(=O)CCN2CC[NH+](CCO)CC2)sc2c1CCCC2	ZINC000057449294	522094602	/nfs/dbraw/zinc/09/46/02/522094602.db2.gz	DPAGGJULBSQIMB-UHFFFAOYSA-N	1	0	362.499	1.437	20	30		FDEDRO
COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCC(C#N)CC3)CC2)cc1	ZINC000057878064	522174905	/nfs/dbraw/zinc/17/49/05/522174905.db2.gz	MULOXFDQCHMEAF-UHFFFAOYSA-N	1	0	370.497	1.965	20	30		FDEDRO
N#Cc1ccccc1N1CCC[N@@H+](C[C@@H](O)COC[C@@H]2CCCO2)CC1	ZINC000058580494	522282657	/nfs/dbraw/zinc/28/26/57/522282657.db2.gz	UTZLRCBTUVFLQK-MOPGFXCFSA-N	1	0	359.470	1.627	20	30		FDEDRO
COc1cc(C#N)ccc1OCCCC(=O)N1CCN(CC[NH+](C)C)CC1	ZINC000046744265	522345963	/nfs/dbraw/zinc/34/59/63/522345963.db2.gz	LTHVJKPBHFNWPC-UHFFFAOYSA-N	1	0	374.485	1.432	20	30		FDEDRO
N#Cc1ccc(CN2CC[NH+](C[C@H](O)COC[C@@H]3CCCO3)CC2)cc1	ZINC000073021438	522452350	/nfs/dbraw/zinc/45/23/50/522452350.db2.gz	FKBUFFVOXZYTNT-PMACEKPBSA-N	1	0	359.470	1.232	20	30		FDEDRO
C#CCCNC(=O)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1	ZINC000073085297	522462726	/nfs/dbraw/zinc/46/27/26/522462726.db2.gz	WTNBRCMVWGMHLY-UHFFFAOYSA-N	1	0	370.453	1.579	20	30		FDEDRO
C[NH+]=C(NCCS(C)(=O)=O)N1CCN(c2cccc(Cl)c2)CC1	ZINC000073354271	522515352	/nfs/dbraw/zinc/51/53/52/522515352.db2.gz	UQPTXVRFXGWXEA-UHFFFAOYSA-N	1	0	358.895	1.082	20	30		FDEDRO
C[NH+]=C(NCc1sccc1C)N1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000073777841	522607422	/nfs/dbraw/zinc/60/74/22/522607422.db2.gz	DLYGRZHOMQZLOA-AWEZNQCLSA-N	1	0	350.488	1.455	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)NCC1CC[NH+](CCN(C)C)CC1	ZINC000074139291	522693234	/nfs/dbraw/zinc/69/32/34/522693234.db2.gz	UTNREHCRLPIEFR-MRXNPFEDSA-N	1	0	358.486	1.715	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)CNc3ccc(C#N)cc3)ccn2)CC1	ZINC000064725165	522746291	/nfs/dbraw/zinc/74/62/91/522746291.db2.gz	XXYSHEUHXHKQKW-UHFFFAOYSA-N	1	0	364.453	1.433	20	30		FDEDRO
Cn1c(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c(C#N)c(=O)n(C)c1=O	ZINC000065201940	522789674	/nfs/dbraw/zinc/78/96/74/522789674.db2.gz	SPQHFGAQPRNWDS-INIZCTEOSA-N	1	0	367.453	1.422	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCCN(c3nc(CC)ns3)CC2)CC1	ZINC000075390997	522915010	/nfs/dbraw/zinc/91/50/10/522915010.db2.gz	BYJXUZRCYPDCET-UHFFFAOYSA-N	1	0	361.515	1.484	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC)nc2Cl)CC1	ZINC000271614068	674360532	/nfs/dbraw/zinc/36/05/32/674360532.db2.gz	HJMAGUGRPLUASF-UHFFFAOYSA-N	1	0	352.822	1.449	20	30		FDEDRO
CCS(=O)(=O)NCCC[NH2+]Cc1ccc(OC)c(OCCCC#N)c1	ZINC000051189077	522992655	/nfs/dbraw/zinc/99/26/55/522992655.db2.gz	DDFJPRXLCHNAJU-UHFFFAOYSA-N	1	0	369.487	1.797	20	30		FDEDRO
CC(C)[C@H](CNC(=O)NCc1ccc(OCC#N)cc1)[NH+]1CCN(C)CC1	ZINC000076055865	523015630	/nfs/dbraw/zinc/01/56/30/523015630.db2.gz	YFCKQJGVXZWCDC-IBGZPJMESA-N	1	0	373.501	1.660	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C1CC1	ZINC000076299485	523071123	/nfs/dbraw/zinc/07/11/23/523071123.db2.gz	NTJZLXNAZHMVCI-AWEZNQCLSA-N	1	0	368.359	1.972	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1)C[NH+]1CCCCC1	ZINC000052557010	523203208	/nfs/dbraw/zinc/20/32/08/523203208.db2.gz	DKWUBMLMZKGWIP-QGZVFWFLSA-N	1	0	370.501	1.907	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H](c2ccc(C)cc2)N2CCOCC2)CC1	ZINC000066920860	523264738	/nfs/dbraw/zinc/26/47/38/523264738.db2.gz	KQEWYNNTWNJBAS-OAQYLSRUSA-N	1	0	369.509	1.830	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1	ZINC000066920030	523265545	/nfs/dbraw/zinc/26/55/45/523265545.db2.gz	ZFPZCLRMRJCQRU-UHFFFAOYSA-N	1	0	364.515	1.921	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC1CC[NH+](C(C)C)CC1	ZINC000067322532	523390633	/nfs/dbraw/zinc/39/06/33/523390633.db2.gz	ZIOJBSWWXAYPDY-UHFFFAOYSA-N	1	0	358.442	1.884	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000067435838	523447827	/nfs/dbraw/zinc/44/78/27/523447827.db2.gz	ARTOLDFMEKXVNP-QGZVFWFLSA-N	1	0	350.488	1.721	20	30		FDEDRO
CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ncn(Cc2ccccc2)n1	ZINC000077770161	523456892	/nfs/dbraw/zinc/45/68/92/523456892.db2.gz	MHKPKEIBIJLNSI-UHFFFAOYSA-N	1	0	358.446	1.763	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NCC2([NH+](C)C)CCCC2)c1	ZINC000055239729	523776522	/nfs/dbraw/zinc/77/65/22/523776522.db2.gz	QLMOPGDERWZOCW-UHFFFAOYSA-N	1	0	365.499	1.755	20	30		FDEDRO
C=CCN(CC=C)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1	ZINC000080213996	523852802	/nfs/dbraw/zinc/85/28/02/523852802.db2.gz	AKMBAPFKIRFYQM-UHFFFAOYSA-N	1	0	350.507	1.997	20	30		FDEDRO
C[NH+]1CCN(c2cc(C(=O)NCc3cc(C#N)ccc3F)ccn2)CC1	ZINC000080791813	523906371	/nfs/dbraw/zinc/90/63/71/523906371.db2.gz	YLOSCLKJUYGFDM-UHFFFAOYSA-N	1	0	353.401	1.774	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CNc1cccc(C#N)c1	ZINC000156622184	524117807	/nfs/dbraw/zinc/11/78/07/524117807.db2.gz	XEIVXVUJEWTWLP-KRWDZBQOSA-N	1	0	357.458	1.029	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)CCCN1CC[NH+](C)CC1	ZINC000110866842	524150201	/nfs/dbraw/zinc/15/02/01/524150201.db2.gz	NUYHVEGBBRNEBR-UHFFFAOYSA-N	1	0	374.533	1.442	20	30		FDEDRO
C[NH+]1CCC(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1	ZINC000156991856	524188951	/nfs/dbraw/zinc/18/89/51/524188951.db2.gz	NHOKGIGJWSZWAI-UHFFFAOYSA-N	1	0	352.416	1.477	20	30		FDEDRO
C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1	ZINC000172292012	524193435	/nfs/dbraw/zinc/19/34/35/524193435.db2.gz	GNWOEHXZLHVITD-HNNXBMFYSA-N	1	0	358.442	1.718	20	30		FDEDRO
[NH2+]=C(NC[C@@H](O)COc1ccc(F)cc1)N[C@@H]1CCOc2ccccc21	ZINC000083033586	524235351	/nfs/dbraw/zinc/23/53/51/524235351.db2.gz	WYEMGAJZFZSHIO-RHSMWYFYSA-N	1	0	359.401	1.994	20	30		FDEDRO
C=CCCN1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1	ZINC000172618930	524249956	/nfs/dbraw/zinc/24/99/56/524249956.db2.gz	LJOFBJOIHCIFOW-UHFFFAOYSA-N	1	0	352.456	1.746	20	30		FDEDRO
C=CCC[C@@H](O)C[N@@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000121425885	524255366	/nfs/dbraw/zinc/25/53/66/524255366.db2.gz	GHXXNAPFIRGWDQ-MRXNPFEDSA-N	1	0	356.463	1.849	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1C#N	ZINC000173277996	524361941	/nfs/dbraw/zinc/36/19/41/524361941.db2.gz	KZNQWWJDYNPQSU-HNNXBMFYSA-N	1	0	370.453	1.422	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC#N)N1CC[NH+](CCCOCC(F)(F)F)CC1	ZINC000143385088	524368693	/nfs/dbraw/zinc/36/86/93/524368693.db2.gz	WIDFWWSVAOKUAF-AWEZNQCLSA-N	1	0	364.412	1.334	20	30		FDEDRO
CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)CC(C)C	ZINC000086446217	524388736	/nfs/dbraw/zinc/38/87/36/524388736.db2.gz	GEVGGWMEXANBSP-HNNXBMFYSA-N	1	0	362.478	1.608	20	30		FDEDRO
C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccn(CCC#N)n2)C1	ZINC000086449874	524393477	/nfs/dbraw/zinc/39/34/77/524393477.db2.gz	TXMMHIDFCPXJBZ-CQSZACIVSA-N	1	0	360.462	1.362	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1	ZINC000112219136	524430562	/nfs/dbraw/zinc/43/05/62/524430562.db2.gz	JIRGUJCFJCMPIE-KRWDZBQOSA-N	1	0	355.438	1.177	20	30		FDEDRO
CCCC[N@H+](C)CCNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1	ZINC000112309977	524456313	/nfs/dbraw/zinc/45/63/13/524456313.db2.gz	FHQLBZBQYORAFH-UHFFFAOYSA-N	1	0	366.487	1.027	20	30		FDEDRO
N#Cc1ncn(CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)n1	ZINC000122126966	524457758	/nfs/dbraw/zinc/45/77/58/524457758.db2.gz	WNJSVISYNBBIIL-OAHLLOKOSA-N	1	0	358.833	1.756	20	30		FDEDRO
Cn1nc(C2CCCC2)cc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000122139692	524460075	/nfs/dbraw/zinc/46/00/75/524460075.db2.gz	IIEWRBNTBMSHFI-UHFFFAOYSA-N	1	0	374.489	1.710	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCC[S@@](=O)C(C)(C)C)=[NH+]C[C@@H]2C1	ZINC000089120898	524476206	/nfs/dbraw/zinc/47/62/06/524476206.db2.gz	ZBCVMTNMHIGTQF-SHZVTRLKSA-N	1	0	372.535	1.414	20	30		FDEDRO
Cc1cccc(S(=O)(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c1C#N	ZINC000122254304	524491362	/nfs/dbraw/zinc/49/13/62/524491362.db2.gz	AEJCWLSXBIGGQD-AWEZNQCLSA-N	1	0	350.488	1.029	20	30		FDEDRO
C[NH+]=C(NC[C@@H](C)c1c(C)noc1C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158600121	524497854	/nfs/dbraw/zinc/49/78/54/524497854.db2.gz	OYBUWYCKWSPACK-LLVKDONJSA-N	1	0	356.492	1.479	20	30		FDEDRO
CC[NH+]=C(NCc1ncc(CC)s1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158637559	524503059	/nfs/dbraw/zinc/50/30/59/524503059.db2.gz	FMHLFKPLLRNFCB-UHFFFAOYSA-N	1	0	358.533	1.680	20	30		FDEDRO
CC[NH+]=C(NC[C@H](O)c1cccc(F)c1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158641882	524503374	/nfs/dbraw/zinc/50/33/74/524503374.db2.gz	DGQOMKFVOLWMEJ-HNNXBMFYSA-N	1	0	371.478	1.334	20	30		FDEDRO
CCCNC(=O)c1cccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)c1	ZINC000089674976	524519348	/nfs/dbraw/zinc/51/93/48/524519348.db2.gz	JBQSAFWGGJJYQQ-UHFFFAOYSA-N	1	0	368.441	1.825	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](CC(C)C)N2CCCCC2=O)c1C#N	ZINC000089675089	524519519	/nfs/dbraw/zinc/51/95/19/524519519.db2.gz	FFBJFEHFZZWKPA-MRXNPFEDSA-N	1	0	374.489	1.799	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(C(=O)NC3CC3)cc2)c1C#N	ZINC000089676413	524520050	/nfs/dbraw/zinc/52/00/50/524520050.db2.gz	MXCWQVMOXRKXCD-UHFFFAOYSA-N	1	0	366.425	1.578	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(C)C	ZINC000112919931	524594807	/nfs/dbraw/zinc/59/48/07/524594807.db2.gz	ZVIXPZDPPJKTJO-KRWDZBQOSA-N	1	0	370.453	1.645	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCCC(=O)Nc1ccccc1C#N	ZINC000151534405	524605958	/nfs/dbraw/zinc/60/59/58/524605958.db2.gz	DAYVSHZXFKPMPT-QGZVFWFLSA-N	1	0	372.469	1.894	20	30		FDEDRO
Cc1cc(N2CC[C@H]([NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)C2=O)n(C)n1	ZINC000174620344	524656714	/nfs/dbraw/zinc/65/67/14/524656714.db2.gz	PIGXWFIHLAOMPF-YOEHRIQHSA-N	1	0	353.426	1.915	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)n1	ZINC000091254466	524685545	/nfs/dbraw/zinc/68/55/45/524685545.db2.gz	KPLCEATWTUPYMU-UHFFFAOYSA-N	1	0	374.489	1.855	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NC[C@@H](C)C#N)cc2)CC1	ZINC000091280782	524688222	/nfs/dbraw/zinc/68/82/22/524688222.db2.gz	JMCKAXGLXWLBTN-HNNXBMFYSA-N	1	0	357.458	1.038	20	30		FDEDRO
C[C@@H](CC#N)NC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1	ZINC000123186782	524701113	/nfs/dbraw/zinc/70/11/13/524701113.db2.gz	KKHWZYUBSSJRIW-HNNXBMFYSA-N	1	0	369.469	1.575	20	30		FDEDRO
N#Cc1ccc2ncc(CNC[C@@H](O)C[N@@H+]3CCc4ccccc4C3)n2c1	ZINC000123273049	524717703	/nfs/dbraw/zinc/71/77/03/524717703.db2.gz	HECXQCZVLXRWLH-HXUWFJFHSA-N	1	0	361.449	1.715	20	30		FDEDRO
CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1(C)C	ZINC000091581141	524731553	/nfs/dbraw/zinc/73/15/53/524731553.db2.gz	XJNMXJHKARWFEY-RCCFBDPRSA-N	1	0	364.534	1.814	20	30		FDEDRO
CN(C)C(=O)COc1cccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)c1	ZINC000123355887	524734355	/nfs/dbraw/zinc/73/43/55/524734355.db2.gz	UCUGFYVDWURLDF-UHFFFAOYSA-N	1	0	363.421	1.963	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2c(C)c[nH]c2=O)cc1	ZINC000159882054	524759245	/nfs/dbraw/zinc/75/92/45/524759245.db2.gz	PTZQADZENWVBLM-KGLIPLIRSA-N	1	0	371.441	1.525	20	30		FDEDRO
CCCC[N@H+](C)CCNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000123547379	524774113	/nfs/dbraw/zinc/77/41/13/524774113.db2.gz	IGGJQASRMGMAMW-HNNXBMFYSA-N	1	0	359.478	1.300	20	30		FDEDRO
Cc1ccc(/N=C2\NC(=O)C(CC(=O)NCCC[NH+](C)C)S2)cc1C	ZINC000174892011	524780385	/nfs/dbraw/zinc/78/03/85/524780385.db2.gz	VVQVMSZWWALNGL-HNNXBMFYSA-N	1	0	362.499	1.981	20	30		FDEDRO
CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1	ZINC000123589824	524785021	/nfs/dbraw/zinc/78/50/21/524785021.db2.gz	KWSVEDDTFUELDU-GFCCVEGCSA-N	1	0	352.416	1.429	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3)CC2)CCO1	ZINC000124450666	524990878	/nfs/dbraw/zinc/99/08/78/524990878.db2.gz	IOQHXKYMJKKNGZ-AWEZNQCLSA-N	1	0	356.426	1.208	20	30		FDEDRO
CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000115441694	524996699	/nfs/dbraw/zinc/99/66/99/524996699.db2.gz	VBJAOHDVFKXPBE-KRWDZBQOSA-N	1	0	363.483	1.273	20	30		FDEDRO
C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000152863881	525031143	/nfs/dbraw/zinc/03/11/43/525031143.db2.gz	VMRDPJDJGDEVMA-DOMZBBRYSA-N	1	0	355.410	1.941	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1	ZINC000152882901	525038352	/nfs/dbraw/zinc/03/83/52/525038352.db2.gz	RYGFTUQJFYKXNP-GOSISDBHSA-N	1	0	357.454	1.630	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(C(=O)NCCOc2ccc(C#N)cc2)CC1	ZINC000175982407	525038585	/nfs/dbraw/zinc/03/85/85/525038585.db2.gz	WPXCXKJEYVZXJA-UHFFFAOYSA-N	1	0	360.458	1.425	20	30		FDEDRO
CC[C@@H](C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)[NH+](C)C	ZINC000124727129	525060502	/nfs/dbraw/zinc/06/05/02/525060502.db2.gz	VWMSYJJUBPLBTF-KRWDZBQOSA-N	1	0	354.458	1.715	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)N2CC[NH+]([C@H]3C[C@H]4CC[C@@H]3C4)CC2)c1	ZINC000176275365	525076940	/nfs/dbraw/zinc/07/69/40/525076940.db2.gz	LQORNTOHYNOICP-LESCRADOSA-N	1	0	352.438	1.830	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CNC(=O)c1cc(F)cc(F)c1	ZINC000176641211	525160224	/nfs/dbraw/zinc/16/02/24/525160224.db2.gz	CODFTWCUVKWPNY-UHFFFAOYSA-N	1	0	352.385	1.389	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1	ZINC000161801524	525171314	/nfs/dbraw/zinc/17/13/14/525171314.db2.gz	RMBLWCIICAAQNQ-INIZCTEOSA-N	1	0	358.486	1.890	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1Cl	ZINC000125259448	525178671	/nfs/dbraw/zinc/17/86/71/525178671.db2.gz	SHHHVPXJBJGCQU-MRXNPFEDSA-N	1	0	360.845	1.766	20	30		FDEDRO
C[C@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccc(C#N)cc1	ZINC000125534925	525210116	/nfs/dbraw/zinc/21/01/16/525210116.db2.gz	ZYJJIPBPJHUWDX-ZDUSSCGKSA-N	1	0	354.414	1.132	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000125694655	525225645	/nfs/dbraw/zinc/22/56/45/525225645.db2.gz	TUQNJLYWCBBNAK-UHFFFAOYSA-N	1	0	374.470	1.387	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1	ZINC000177221894	525257327	/nfs/dbraw/zinc/25/73/27/525257327.db2.gz	QCRPAKOLOAEPRH-HBFSDRIKSA-N	1	0	370.497	1.974	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC#N)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1	ZINC000101921585	525261148	/nfs/dbraw/zinc/26/11/48/525261148.db2.gz	CYMSZTUAUMAPRN-BBRMVZONSA-N	1	0	361.421	1.782	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000162543201	525276769	/nfs/dbraw/zinc/27/67/69/525276769.db2.gz	YVKNYPLSWMERRL-DLBZAZTESA-N	1	0	350.507	1.038	20	30		FDEDRO
[NH2+]=C(NCCc1ccc(I)s1)N1CCOCC1	ZINC000104192767	525400589	/nfs/dbraw/zinc/40/05/89/525400589.db2.gz	SXPRLXVFMYCAFV-UHFFFAOYSA-N	1	0	365.240	1.542	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccn(CCC#N)n2)CC1=O	ZINC000117854418	525403145	/nfs/dbraw/zinc/40/31/45/525403145.db2.gz	GSDWAARUBXLGIU-HUUCEWRRSA-N	1	0	358.446	1.068	20	30		FDEDRO
Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)N(CCC#N)CCC[NH+](C)C	ZINC000104327247	525405276	/nfs/dbraw/zinc/40/52/76/525405276.db2.gz	BRULKMSOEYSATK-UHFFFAOYSA-N	1	0	372.473	1.678	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)cc1	ZINC000117947563	525415120	/nfs/dbraw/zinc/41/51/20/525415120.db2.gz	SHLJXPPPXROIMV-GOSISDBHSA-N	1	0	352.442	1.665	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1	ZINC000127433774	525421840	/nfs/dbraw/zinc/42/18/40/525421840.db2.gz	FCAHXIBBWVXBAX-RTBURBONSA-N	1	0	369.465	1.491	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000118097023	525439951	/nfs/dbraw/zinc/43/99/51/525439951.db2.gz	KAKMQLBUQZSNET-MRXNPFEDSA-N	1	0	358.442	1.908	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCC([C@H](C)[NH3+])CC2)ccc1F	ZINC000178804345	525482694	/nfs/dbraw/zinc/48/26/94/525482694.db2.gz	XYPVRZSOKCOAHD-LBPRGKRZSA-N	1	0	369.462	1.489	20	30		FDEDRO
Cc1ccncc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000105532500	525512699	/nfs/dbraw/zinc/51/26/99/525512699.db2.gz	UHNKZSMDLRLYHO-UHFFFAOYSA-N	1	0	365.437	1.791	20	30		FDEDRO
C=CCC[C@H](O)C[NH+]1CCN(CCNC(=O)c2ccc(OC)cc2)CC1	ZINC000128471141	525546099	/nfs/dbraw/zinc/54/60/99/525546099.db2.gz	YFXPQHZQAQRKJY-SFHVURJKSA-N	1	0	361.486	1.370	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CN2C(=O)NC(CC)(CC)C2=O)CC1	ZINC000106040323	525552894	/nfs/dbraw/zinc/55/28/94/525552894.db2.gz	ZMIVPYSZLFDBMW-UHFFFAOYSA-N	1	0	350.463	1.254	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C2=NN(c3ccc(C)cc3)C(=O)CN2)CC1	ZINC000106038989	525552964	/nfs/dbraw/zinc/55/29/64/525552964.db2.gz	GUVJFGRNVUZYDJ-UHFFFAOYSA-N	1	0	369.469	1.401	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C2CCN(S(=O)(=O)CC)CC2)CC1	ZINC000106038820	525554638	/nfs/dbraw/zinc/55/46/38/525554638.db2.gz	XQQTZQXIYFCXBN-UHFFFAOYSA-N	1	0	357.520	1.205	20	30		FDEDRO
Cc1nc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(=O)[nH]c1C	ZINC000154557860	525572958	/nfs/dbraw/zinc/57/29/58/525572958.db2.gz	YOJLCLWFGCQXCJ-UHFFFAOYSA-N	1	0	353.426	1.462	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCC(C)(C)C[NH+](C)C	ZINC000118896832	525577042	/nfs/dbraw/zinc/57/70/42/525577042.db2.gz	HZDMNMDWBWWJMP-UHFFFAOYSA-N	1	0	360.458	1.988	20	30		FDEDRO
N#CC1(CS(=O)(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)CC1	ZINC000166385512	525582104	/nfs/dbraw/zinc/58/21/04/525582104.db2.gz	KOFBQHKMMRRSLA-QGZVFWFLSA-N	1	0	363.483	1.366	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCC[NH2+]C2)c1	ZINC000154634747	525596737	/nfs/dbraw/zinc/59/67/37/525596737.db2.gz	VPLIYHGTHJMOBK-MMOSJZJFSA-N	1	0	364.471	1.438	20	30		FDEDRO
CN(C)C(=O)CN1CCC[N@H+](Cc2cccc(OCCCC#N)c2)CC1	ZINC000129366929	525647691	/nfs/dbraw/zinc/64/76/91/525647691.db2.gz	XFGGURBMORXXKF-UHFFFAOYSA-N	1	0	358.486	1.965	20	30		FDEDRO
COc1cc(C[NH+](CCO)CCO)ccc1OCc1cccc(C#N)c1	ZINC000154925656	525687078	/nfs/dbraw/zinc/68/70/78/525687078.db2.gz	ZKRSUKWFLZWXHG-UHFFFAOYSA-N	1	0	356.422	1.932	20	30		FDEDRO
COc1cccc([C@H](CNC(=O)N2CCO[C@H](C#N)C2)[NH+]2CCCC2)c1	ZINC000106328848	525692189	/nfs/dbraw/zinc/69/21/89/525692189.db2.gz	JRJBRSZZOQVOCM-MSOLQXFVSA-N	1	0	358.442	1.766	20	30		FDEDRO
CCc1nn(C[C@H](O)C[N@@H+]2CCc3ccccc3C2)c(=O)c(C#N)c1CC	ZINC000106363339	525703502	/nfs/dbraw/zinc/70/35/02/525703502.db2.gz	MRBJTQHVGNUCIS-QGZVFWFLSA-N	1	0	366.465	1.659	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1	ZINC000180684246	525741726	/nfs/dbraw/zinc/74/17/26/525741726.db2.gz	ZTLGBZRAFKLCHM-KRWDZBQOSA-N	1	0	374.485	1.824	20	30		FDEDRO
C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000180899546	525772700	/nfs/dbraw/zinc/77/27/00/525772700.db2.gz	NHKQRROPKLXSMQ-OAHLLOKOSA-N	1	0	368.441	1.372	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1	ZINC000119642103	525815081	/nfs/dbraw/zinc/81/50/81/525815081.db2.gz	KNWLAZNETMEQCP-WMWLNJEOSA-N	1	0	361.534	1.284	20	30		FDEDRO
N#Cc1ccc(NCC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1	ZINC000119718108	525838145	/nfs/dbraw/zinc/83/81/45/525838145.db2.gz	MAHZKNXHFSIZTF-HXUWFJFHSA-N	1	0	364.449	1.506	20	30		FDEDRO
C[C@H]1CCC[N@H+](CCCCNC(=O)CNC(=O)c2ccc(C#N)cc2)C1	ZINC000171112537	525854527	/nfs/dbraw/zinc/85/45/27/525854527.db2.gz	NICHLZMZKAQOEW-INIZCTEOSA-N	1	0	356.470	1.916	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NCC2CC[NH+](Cc3ccccc3F)CC2)CCO1	ZINC000107393563	525886712	/nfs/dbraw/zinc/88/67/12/525886712.db2.gz	QOKUWZQJYUUPRJ-QGZVFWFLSA-N	1	0	360.433	1.972	20	30		FDEDRO
C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N	ZINC000181666761	525888626	/nfs/dbraw/zinc/88/86/26/525888626.db2.gz	UBRKUCZVPGSUHF-CABCVRRESA-N	1	0	358.442	1.907	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1	ZINC000181683766	525889955	/nfs/dbraw/zinc/88/99/55/525889955.db2.gz	KJZHSORJMCWGDO-IEBWSBKVSA-N	1	0	372.469	1.574	20	30		FDEDRO
C=CC[N@@H+](CCn1cnc2c1c(=O)n(C)c(=O)n2C)Cc1ccccc1	ZINC000181958590	525997449	/nfs/dbraw/zinc/99/74/49/525997449.db2.gz	LMCDTEVFYQGAOX-UHFFFAOYSA-N	1	0	353.426	1.122	20	30		FDEDRO
C[C@H]([NH2+][C@H](CC(N)=O)C1CCOCC1)C(=O)N(CCC#N)c1ccccc1	ZINC000181962334	526000208	/nfs/dbraw/zinc/00/02/08/526000208.db2.gz	QFKOYJOJSLJIOY-MAUKXSAKSA-N	1	0	372.469	1.582	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)CC1	ZINC000171715282	526089089	/nfs/dbraw/zinc/08/90/89/526089089.db2.gz	AWKXROWFUWIFIN-GOSISDBHSA-N	1	0	357.454	1.181	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000171726735	526095818	/nfs/dbraw/zinc/09/58/18/526095818.db2.gz	GULJQUZHXNKJQM-ZDUSSCGKSA-N	1	0	360.414	1.480	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCC(=O)NCc2ccc(OC)cc2)CC1	ZINC000171725659	526096924	/nfs/dbraw/zinc/09/69/24/526096924.db2.gz	JKNLAPFRBXDXJS-UHFFFAOYSA-N	1	0	360.458	1.261	20	30		FDEDRO
C=C(C)COc1cc(C[NH2+]CCC(=O)N2CCN(C)CC2)ccc1OC	ZINC000171764395	526111443	/nfs/dbraw/zinc/11/14/43/526111443.db2.gz	NSLQPDIKLHMZMY-UHFFFAOYSA-N	1	0	361.486	1.904	20	30		FDEDRO
COC(=O)CN(CC#N)C(=O)CCC[NH+]1CCN(c2ccccc2)CC1	ZINC000120569724	526112254	/nfs/dbraw/zinc/11/22/54/526112254.db2.gz	LNOIYVKMZQBTPT-UHFFFAOYSA-N	1	0	358.442	1.114	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(CCC#N)CC(C)(C)C)C1	ZINC000109812563	526192097	/nfs/dbraw/zinc/19/20/97/526192097.db2.gz	WSGYHBNWAHKYPM-QGZVFWFLSA-N	1	0	352.523	1.721	20	30		FDEDRO
CN(C(=O)C[N@@H+]1CCCC[C@@H]1CN1CCOCC1)C1(C#N)CCCCC1	ZINC000109819575	526192490	/nfs/dbraw/zinc/19/24/90/526192490.db2.gz	JRDXGCHMXWWNQC-GOSISDBHSA-N	1	0	362.518	1.858	20	30		FDEDRO
C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC1(CO)COC1	ZINC000120865890	526203874	/nfs/dbraw/zinc/20/38/74/526203874.db2.gz	YAIPRIWNZBOEDV-UHFFFAOYSA-N	1	0	352.504	1.594	20	30		FDEDRO
CCCC[N@H+](CCO)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000182750807	535856435	/nfs/dbraw/zinc/85/64/35/535856435.db2.gz	YNFRCEZPIFCQHM-MRXNPFEDSA-N	1	0	364.515	1.551	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCCO1	ZINC000182747637	535856452	/nfs/dbraw/zinc/85/64/52/535856452.db2.gz	AVKWZQRIXFVERT-APWZRJJASA-N	1	0	374.460	1.645	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@@H]1CCSC1	ZINC000183065685	535912694	/nfs/dbraw/zinc/91/26/94/535912694.db2.gz	YSUVUFJDQUBHTF-HUUCEWRRSA-N	1	0	364.540	1.894	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000183060772	535913173	/nfs/dbraw/zinc/91/31/73/535913173.db2.gz	QLRZCSAGSJRNBO-LJQANCHMSA-N	1	0	360.502	1.431	20	30		FDEDRO
C[NH+](C)C1(CNS(=O)(=O)c2ccc(C#N)cc2Cl)CCOCC1	ZINC000183663429	536024829	/nfs/dbraw/zinc/02/48/29/536024829.db2.gz	YCYWKHIHFMYMFV-UHFFFAOYSA-N	1	0	357.863	1.601	20	30		FDEDRO
C[NH+](C)C1CCN(CCNS(=O)(=O)c2cc(C#N)ccc2Cl)CC1	ZINC000185047956	536196758	/nfs/dbraw/zinc/19/67/58/536196758.db2.gz	RTYGAHUNYVMEJH-UHFFFAOYSA-N	1	0	370.906	1.516	20	30		FDEDRO
C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000185334835	536205715	/nfs/dbraw/zinc/20/57/15/536205715.db2.gz	WIYSLINKKSDOAW-ZDUSSCGKSA-N	1	0	370.906	1.516	20	30		FDEDRO
N#CCCN(CCN1CCOCC1)C(=O)c1ccc2c(c1O)CCCC2	ZINC000185710138	536215716	/nfs/dbraw/zinc/21/57/16/536215716.db2.gz	ULYBPQKDKPRDAO-UHFFFAOYSA-N	1	0	357.454	1.959	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C#N)cc2OC)[C@H](C)C1	ZINC000185755757	536216761	/nfs/dbraw/zinc/21/67/61/536216761.db2.gz	NTUGNOSWPRPNES-HIFRSBDPSA-N	1	0	351.472	1.918	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(C)CC[N@H+](C)C2CC2)c1	ZINC000186799882	536244845	/nfs/dbraw/zinc/24/48/45/536244845.db2.gz	MCUTUEUHCNKCJT-UHFFFAOYSA-N	1	0	351.472	1.317	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)C2(c3ccc(C#N)cc3)CC2)CC1	ZINC000186918188	536248502	/nfs/dbraw/zinc/24/85/02/536248502.db2.gz	OFDDMODZIBQRDF-KRWDZBQOSA-N	1	0	354.498	1.980	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)CC2([NH+](C)C)CCC2)cc1	ZINC000188069633	536281813	/nfs/dbraw/zinc/28/18/13/536281813.db2.gz	MPVOVDWXNLWUCP-UHFFFAOYSA-N	1	0	365.499	1.707	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000188324295	536290381	/nfs/dbraw/zinc/29/03/81/536290381.db2.gz	FHFGXLYOKNYGGH-OAQYLSRUSA-N	1	0	359.514	1.980	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)CN1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1	ZINC000246242817	536908653	/nfs/dbraw/zinc/90/86/53/536908653.db2.gz	DKPZEAUDHLBTBS-MISYRCLQSA-N	1	0	362.514	1.932	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(=O)OCC)cc2)CC1	ZINC000266682128	536919373	/nfs/dbraw/zinc/91/93/73/536919373.db2.gz	KTXVAHPTVLRNRB-UHFFFAOYSA-N	1	0	359.426	1.568	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1	ZINC000188691694	536928062	/nfs/dbraw/zinc/92/80/62/536928062.db2.gz	RPPNFMSEKUDYSL-GOSISDBHSA-N	1	0	374.460	1.876	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)N1CCC[N@@H+](C2CCCC2)CC1	ZINC000266813453	536935207	/nfs/dbraw/zinc/93/52/07/536935207.db2.gz	DGKIFUHHCBQROP-HNENSFHCSA-N	1	0	360.458	1.380	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](N3CC[NH+](C4CCOCC4)CC3)C2=O)cc1	ZINC000267019272	536948951	/nfs/dbraw/zinc/94/89/51/536948951.db2.gz	QAXGLPHBPIJGKL-LJQANCHMSA-N	1	0	354.454	1.460	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[NH+]3CCC2CC3)ccc1F	ZINC000188831056	536956938	/nfs/dbraw/zinc/95/69/38/536956938.db2.gz	HIXDGNNZNHQLJR-UHFFFAOYSA-N	1	0	367.446	1.210	20	30		FDEDRO
C[NH+]=C(NCc1cc(Br)cs1)N1CCN(C(C)=O)CC1	ZINC000263231779	536997172	/nfs/dbraw/zinc/99/71/72/536997172.db2.gz	IHZQDMKBEQFYQT-UHFFFAOYSA-N	1	0	359.293	1.750	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C	ZINC000189141733	537004344	/nfs/dbraw/zinc/00/43/44/537004344.db2.gz	RCFSPSZXMBESFP-OAHLLOKOSA-N	1	0	360.458	1.882	20	30		FDEDRO
C[C@H]1C[N@H+](CC(C)(C)O)CCN1CC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000189405575	537040811	/nfs/dbraw/zinc/04/08/11/537040811.db2.gz	HDCUKUARKZVJRS-ZDUSSCGKSA-N	1	0	364.877	1.927	20	30		FDEDRO
CC(=O)Nc1cccc(CONC(N)=C2C(=[NH2+])C3(CCCC3)N(C)C2=O)c1	ZINC000263755276	537089319	/nfs/dbraw/zinc/08/93/19/537089319.db2.gz	TXORKFDQBCAYPY-UHFFFAOYSA-N	1	0	371.441	1.431	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)cc2)[C@@H](C)C1	ZINC000247208291	537095160	/nfs/dbraw/zinc/09/51/60/537095160.db2.gz	MFEMEGQUEFWHEX-YJBOKZPZSA-N	1	0	365.499	1.974	20	30		FDEDRO
Cn1ccnc1C[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000247322394	537107623	/nfs/dbraw/zinc/10/76/23/537107623.db2.gz	SRPKMDMSJJFPFS-QZTJIDSGSA-N	1	0	354.454	1.986	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NC[C@H](O)COc2ccc3c(c2)OCO3)cc1	ZINC000264100169	537137284	/nfs/dbraw/zinc/13/72/84/537137284.db2.gz	NWNKWAHMBBVIDG-ZDUSSCGKSA-N	1	0	359.382	1.590	20	30		FDEDRO
CCCCCCNC(=[NH2+])NCc1ccc(C(=O)N2CCNC(=O)C2)cc1	ZINC000264153257	537138761	/nfs/dbraw/zinc/13/87/61/537138761.db2.gz	ZSGWKMVWUUSELF-UHFFFAOYSA-N	1	0	359.474	1.243	20	30		FDEDRO
N#CCOc1ccc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)cc1	ZINC000264295983	537140730	/nfs/dbraw/zinc/14/07/30/537140730.db2.gz	QQSSCMSFIJTUTB-UHFFFAOYSA-N	1	0	351.414	1.016	20	30		FDEDRO
N#Cc1ccc(CN2CCC[N@@H+](C[C@@H](O)COC[C@@H]3CCCO3)CC2)cc1	ZINC000247638681	537141518	/nfs/dbraw/zinc/14/15/18/537141518.db2.gz	FTZREEDURQMOAE-RTWAWAEBSA-N	1	0	373.497	1.622	20	30		FDEDRO
N#CCCN(C(=O)C[NH2+]C1(CO)CCOCC1)c1cccc(Cl)c1	ZINC000264570806	537145729	/nfs/dbraw/zinc/14/57/29/537145729.db2.gz	YAQNJJUZFPUBBY-UHFFFAOYSA-N	1	0	351.834	1.718	20	30		FDEDRO
CC[C@@H]1CN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC[N@@H+]1C[C@H](C)O	ZINC000247767954	537148676	/nfs/dbraw/zinc/14/86/76/537148676.db2.gz	OJDQYJFWPJBDSG-DUVNUKRYSA-N	1	0	362.474	1.872	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1)[NH+](C)C	ZINC000265491284	537153427	/nfs/dbraw/zinc/15/34/27/537153427.db2.gz	CXLATAFAAJCREZ-HNNXBMFYSA-N	1	0	350.422	1.486	20	30		FDEDRO
C=C(Cl)CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1	ZINC000265576175	537159071	/nfs/dbraw/zinc/15/90/71/537159071.db2.gz	BFUWRRDMSQGWSR-UHFFFAOYSA-N	1	0	350.850	1.241	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C	ZINC000190353212	537167226	/nfs/dbraw/zinc/16/72/26/537167226.db2.gz	WFZQZZBZIWTDCP-UHFFFAOYSA-N	1	0	360.458	1.942	20	30		FDEDRO
CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1	ZINC000265706619	537167611	/nfs/dbraw/zinc/16/76/11/537167611.db2.gz	VKZDHWZMUMONFG-KRWDZBQOSA-N	1	0	374.441	1.097	20	30		FDEDRO
C[C@H](O)[C@@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000248526905	537189627	/nfs/dbraw/zinc/18/96/27/537189627.db2.gz	CZRYUGHKZSGOMJ-KVSKMBFKSA-N	1	0	374.460	1.237	20	30		FDEDRO
N#CCOc1ccc(/C=C/C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1	ZINC000266202619	537191146	/nfs/dbraw/zinc/19/11/46/537191146.db2.gz	HVRAHWPSIQHZNF-HNSSHINMSA-N	1	0	355.438	1.783	20	30		FDEDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000266396497	537200411	/nfs/dbraw/zinc/20/04/11/537200411.db2.gz	NYNHCIKSYDKOSX-ZDUSSCGKSA-N	1	0	355.364	1.944	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H]1CO	ZINC000248862073	537216894	/nfs/dbraw/zinc/21/68/94/537216894.db2.gz	AEJSLGJUVVZHDZ-CJNGLKHVSA-N	1	0	354.372	1.876	20	30		FDEDRO
C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000249310803	537233231	/nfs/dbraw/zinc/23/32/31/537233231.db2.gz	IADZZOQMNAABCB-KGLIPLIRSA-N	1	0	353.488	1.798	20	30		FDEDRO
C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000193648397	537253413	/nfs/dbraw/zinc/25/34/13/537253413.db2.gz	NVTCHBGXTAQTEY-MLGOLLRUSA-N	1	0	367.371	1.287	20	30		FDEDRO
C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1	ZINC000293025344	537299395	/nfs/dbraw/zinc/29/93/95/537299395.db2.gz	LTTQBRBARIEBJJ-UHFFFAOYSA-N	1	0	365.231	1.470	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(OCCOC)c(OC)c1	ZINC000272793783	537342066	/nfs/dbraw/zinc/34/20/66/537342066.db2.gz	ACCPGZBSVRXUCF-CQSZACIVSA-N	1	0	357.472	1.972	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)CC1	ZINC000282879703	537343619	/nfs/dbraw/zinc/34/36/19/537343619.db2.gz	SBSASVAYRSTQTK-GOSISDBHSA-N	1	0	354.454	1.754	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NC[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1	ZINC000282909816	537345891	/nfs/dbraw/zinc/34/58/91/537345891.db2.gz	GSPDRWMCVBCFOC-WMZOPIPTSA-N	1	0	361.486	1.710	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)NC2CC[NH+](CCOC)CC2)c(F)c1	ZINC000282930877	537346942	/nfs/dbraw/zinc/34/69/42/537346942.db2.gz	LURJQMIZUCLVAM-UHFFFAOYSA-N	1	0	365.380	1.112	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1	ZINC000293107477	537346931	/nfs/dbraw/zinc/34/69/31/537346931.db2.gz	CPTWFDHZGVLZRA-FQEVSTJZSA-N	1	0	370.453	1.838	20	30		FDEDRO
CS(=O)(=O)C1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCC1	ZINC000279620348	537351388	/nfs/dbraw/zinc/35/13/88/537351388.db2.gz	ATCBVEDOUITMPG-UHFFFAOYSA-N	1	0	373.482	1.916	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000195159288	537361685	/nfs/dbraw/zinc/36/16/85/537361685.db2.gz	REWFWNSPVCYNLD-QGZVFWFLSA-N	1	0	363.506	1.608	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC(c3ccc(OC)c(F)c3)=NO2)CC1	ZINC000283502748	537379729	/nfs/dbraw/zinc/37/97/29/537379729.db2.gz	KLNGUBLLRAKYHZ-MRXNPFEDSA-N	1	0	373.428	1.789	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1	ZINC000280363368	537401000	/nfs/dbraw/zinc/40/10/00/537401000.db2.gz	LKYBQZWFXMGWHG-SFHVURJKSA-N	1	0	354.454	1.592	20	30		FDEDRO
C[NH+](C)C1CCN(CCNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1	ZINC000280357728	537401035	/nfs/dbraw/zinc/40/10/35/537401035.db2.gz	KZDCMKJINFRMCY-GOSISDBHSA-N	1	0	353.470	1.383	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@H](C)C1CCOCC1)C(C)C	ZINC000284253885	537405381	/nfs/dbraw/zinc/40/53/81/537405381.db2.gz	ZLTQSOWNADBSTG-AEFFLSMTSA-N	1	0	365.518	1.733	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(NC(=O)C(C)C)ccc1C	ZINC000293439376	537461619	/nfs/dbraw/zinc/46/16/19/537461619.db2.gz	RKORJLLICNIFBW-UHFFFAOYSA-N	1	0	372.469	1.599	20	30		FDEDRO
C[C@H](c1nc(-c2ccccc2OCC[NH+](C)C)no1)n1cnc(C#N)n1	ZINC000350049432	537465144	/nfs/dbraw/zinc/46/51/44/537465144.db2.gz	SLAVTHBOHXKLBM-GFCCVEGCSA-N	1	0	353.386	1.749	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C	ZINC000284679917	537474746	/nfs/dbraw/zinc/47/47/46/537474746.db2.gz	VJDQWMZYPFZBEB-MRXNPFEDSA-N	1	0	351.422	1.254	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(OC(=O)NC)c2)CC1	ZINC000293484675	537482542	/nfs/dbraw/zinc/48/25/42/537482542.db2.gz	SRPUNXCSDWWVIX-UHFFFAOYSA-N	1	0	374.441	1.500	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)c3ccc4c(c3)CC[NH2+]CC4)CC2)c1	ZINC000276405204	537484251	/nfs/dbraw/zinc/48/42/51/537484251.db2.gz	ARYRBVOCTKHBFT-UHFFFAOYSA-N	1	0	361.449	1.604	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)[N@H+](C)Cc1ccccc1	ZINC000293494645	537487496	/nfs/dbraw/zinc/48/74/96/537487496.db2.gz	UEYTWVRYVBKWQI-AWEZNQCLSA-N	1	0	351.410	1.528	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)C(=O)Nc1ccc(C#N)cc1	ZINC000365339292	537488021	/nfs/dbraw/zinc/48/80/21/537488021.db2.gz	KSHPAWUVHSXEGS-FHLIZLRMSA-N	1	0	370.453	1.502	20	30		FDEDRO
C[C@@H](C#N)CN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1	ZINC000299222643	537490942	/nfs/dbraw/zinc/49/09/42/537490942.db2.gz	XEIQVJMBJPTCPJ-ZDUSSCGKSA-N	1	0	366.412	1.473	20	30		FDEDRO
N#Cc1ccc(C[C@H](C#N)C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)cc1	ZINC000281390000	537536279	/nfs/dbraw/zinc/53/62/79/537536279.db2.gz	BLMQGOYIPYNULL-RTBURBONSA-N	1	0	354.454	1.594	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2cccc(OCC(=O)NCC)c2)CC1	ZINC000299329495	537551420	/nfs/dbraw/zinc/55/14/20/537551420.db2.gz	ZCSUQNYEVAJOPR-UHFFFAOYSA-N	1	0	357.454	1.163	20	30		FDEDRO
COC(=O)c1ccc(C)c(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1	ZINC000275837368	537580383	/nfs/dbraw/zinc/58/03/83/537580383.db2.gz	JGDWSLMYZNVDQL-UHFFFAOYSA-N	1	0	374.441	1.414	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc1OC	ZINC000275902366	537590031	/nfs/dbraw/zinc/59/00/31/537590031.db2.gz	RDLCUUQVPRFELN-UHFFFAOYSA-N	1	0	362.430	1.336	20	30		FDEDRO
Cc1sc(NC(=O)CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(C#N)c1C	ZINC000363602226	537616185	/nfs/dbraw/zinc/61/61/85/537616185.db2.gz	FWYDYVURZMOQRT-HOTGVXAUSA-N	1	0	362.499	1.706	20	30		FDEDRO
COc1cc[nH]c(=O)c1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C	ZINC000329163830	537634726	/nfs/dbraw/zinc/63/47/26/537634726.db2.gz	GNEMPVPIJZNXAO-BLLLJJGKSA-N	1	0	359.430	1.917	20	30		FDEDRO
Cc1ccc(N2CCC[C@H](NC(=O)N3CC[N@@H+](C)C[C@@H]3C(C)C)C2)nn1	ZINC000329417757	537636428	/nfs/dbraw/zinc/63/64/28/537636428.db2.gz	GNZWFYXAGJTZQN-DLBZAZTESA-N	1	0	360.506	1.940	20	30		FDEDRO
COCCn1cc2c(n1)[C@H](NC(=O)N1C[C@@H]3CCC[N@@H+]3C[C@@H]1C)CCC2	ZINC000329503380	537637767	/nfs/dbraw/zinc/63/77/67/537637767.db2.gz	ICUWVLWFJDQZIH-BHYGNILZSA-N	1	0	361.490	1.989	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C[NH3+])C1CCCCC1	ZINC000237817462	537641797	/nfs/dbraw/zinc/64/17/97/537641797.db2.gz	NVZQHRTZCWRMJC-CYBMUJFWSA-N	1	0	352.416	1.652	20	30		FDEDRO
C[C@H](O)C[C@@H]1COCCN1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000329861224	537643792	/nfs/dbraw/zinc/64/37/92/537643792.db2.gz	QCXRVNPJPNLKRM-HPBDAGMYSA-N	1	0	369.506	1.140	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)CN2CCN(S(C)(=O)=O)CC2)CCCCCC1	ZINC000329912349	537645148	/nfs/dbraw/zinc/64/51/48/537645148.db2.gz	OHJUUJADKKYYAH-UHFFFAOYSA-N	1	0	374.551	1.175	20	30		FDEDRO
CC(C)(O)C[NH+]1CCN(C(=O)NCc2nnc(C(C)(C)C)s2)CC1	ZINC000329921646	537645678	/nfs/dbraw/zinc/64/56/78/537645678.db2.gz	SRRLAONJFNOVJE-UHFFFAOYSA-N	1	0	355.508	1.638	20	30		FDEDRO
COCCn1cc2c(n1)[C@H](NC([O-])=[NH+]C[C@H]1CCc3nccn3C1)CCC2	ZINC000329919303	537646144	/nfs/dbraw/zinc/64/61/44/537646144.db2.gz	ROINZAMLSMHZBX-GDBMZVCRSA-N	1	0	372.473	1.870	20	30		FDEDRO
NC(=O)[C@@]1(O)CC[N@H+](CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)C1	ZINC000329955706	537647808	/nfs/dbraw/zinc/64/78/08/537647808.db2.gz	PGFRMEVCKSUTBP-LJQANCHMSA-N	1	0	374.441	1.485	20	30		FDEDRO
C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1C[C@]2(CCOC2)OC(C)(C)C1	ZINC000330061703	537651427	/nfs/dbraw/zinc/65/14/27/537651427.db2.gz	AFKGDIGDBCDNAK-ACJLOTCBSA-N	1	0	353.463	1.222	20	30		FDEDRO
CNS(=O)(=O)c1cccc(NC(=O)N2CC[NH+](CC(C)C)CC2)c1	ZINC000330414682	537655724	/nfs/dbraw/zinc/65/57/24/537655724.db2.gz	NAFGOEGBIOCHII-UHFFFAOYSA-N	1	0	354.476	1.414	20	30		FDEDRO
Cc1cnn(CC2CC[NH+](CC(=O)NC(=O)NCC(F)(F)F)CC2)c1	ZINC000330668878	537659651	/nfs/dbraw/zinc/65/96/51/537659651.db2.gz	ZKZQHKKTIMFWLR-UHFFFAOYSA-N	1	0	361.368	1.496	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCC(N(C)C(C)=O)CC2)CC1	ZINC000330999159	537663157	/nfs/dbraw/zinc/66/31/57/537663157.db2.gz	ZIXHFZRUIXUKDO-MRXNPFEDSA-N	1	0	367.538	1.117	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CCN(C(=O)NC3CC[NH+](C4CC4)CC3)C2)nc1	ZINC000291759381	537672795	/nfs/dbraw/zinc/67/27/95/537672795.db2.gz	URBFHNSEELJSPO-KRWDZBQOSA-N	1	0	355.442	1.743	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000291765826	537674439	/nfs/dbraw/zinc/67/44/39/537674439.db2.gz	VYQSGNAXBLERQK-SFHVURJKSA-N	1	0	354.454	1.902	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000292061999	537704741	/nfs/dbraw/zinc/70/47/41/537704741.db2.gz	BZXJJMKCXVSGBN-IEBWSBKVSA-N	1	0	364.405	1.718	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CC[NH+]1CCC(C(=O)N2CCOCC2)CC1	ZINC000292546214	537743961	/nfs/dbraw/zinc/74/39/61/537743961.db2.gz	JVFXKRMVIQTLDQ-UHFFFAOYSA-N	1	0	370.453	1.458	20	30		FDEDRO
C=CCC[C@H](O)C[N@H+]1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000375897783	537792581	/nfs/dbraw/zinc/79/25/81/537792581.db2.gz	LOPGFGQZPGSKOZ-IRXDYDNUSA-N	1	0	353.507	1.941	20	30		FDEDRO
N#CC1(C(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)CCOCC1	ZINC000404205137	537804694	/nfs/dbraw/zinc/80/46/94/537804694.db2.gz	TVQSNYIVVYITSZ-MOPGFXCFSA-N	1	0	369.465	1.809	20	30		FDEDRO
CC(C)(O)C[N@@H+]1CCCN(CCC(=O)Nc2sccc2C#N)CC1	ZINC000366681087	537822691	/nfs/dbraw/zinc/82/26/91/537822691.db2.gz	OMXFEMZNTKFXJP-UHFFFAOYSA-N	1	0	350.488	1.727	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CCCCn2cc(C(N)=O)nn2)c(C(F)(F)F)c1	ZINC000414571060	537839376	/nfs/dbraw/zinc/83/93/76/537839376.db2.gz	UEZGFIWEKCHZKS-UHFFFAOYSA-N	1	0	366.347	1.837	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)NCC[N@H+]3CC=CCC3)n2)c(F)c1	ZINC000366768178	537850681	/nfs/dbraw/zinc/85/06/81/537850681.db2.gz	NITBQNRHEIJVEW-UHFFFAOYSA-N	1	0	354.389	2.266	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)[C@@H](C)C1	ZINC000410117128	537879988	/nfs/dbraw/zinc/87/99/88/537879988.db2.gz	DGVGTWQIUHPFQJ-PMPSAXMXSA-N	1	0	360.524	1.049	20	30		FDEDRO
C[C@H]([NH2+][C@H](CO)[C@H]1CCCOC1)C(=O)N(CCC#N)c1ccc(F)cc1	ZINC000411991189	537925772	/nfs/dbraw/zinc/92/57/72/537925772.db2.gz	IRQBMIRORSUTMA-RLFYNMQTSA-N	1	0	363.433	1.838	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC[C@H]1[NH3+]	ZINC000419104314	537940434	/nfs/dbraw/zinc/94/04/34/537940434.db2.gz	AJTFWVDBFLOMGD-IUODEOHRSA-N	1	0	367.371	1.369	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(=O)N2CCC[C@H]2c2ccsc2)CC1	ZINC000377481707	537964228	/nfs/dbraw/zinc/96/42/28/537964228.db2.gz	MXKGWWXOFYHJRG-KRWDZBQOSA-N	1	0	359.495	1.873	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c(OC)c1	ZINC000377530181	537971273	/nfs/dbraw/zinc/97/12/73/537971273.db2.gz	NBANSBUZCFXYLZ-KRWDZBQOSA-N	1	0	359.470	1.309	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CCN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)nc1	ZINC000377563046	537977837	/nfs/dbraw/zinc/97/78/37/537977837.db2.gz	MKPOCUUDVCAINU-ZACQAIPSSA-N	1	0	360.483	1.143	20	30		FDEDRO
C=CCN1CC[C@H](N(C)[C@H]2CCCN(c3ccccc3OC)C2=O)C1=O	ZINC000368531149	537982991	/nfs/dbraw/zinc/98/29/91/537982991.db2.gz	TXKOITORLNMEFZ-IRXDYDNUSA-N	1	0	357.454	1.909	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)NCC1(N2CCOCC2)CC(OCC)C1)OCC	ZINC000368912981	537994178	/nfs/dbraw/zinc/99/41/78/537994178.db2.gz	JUHQWABZBISNFG-TVRKMHQQSA-N	1	0	354.491	1.744	20	30		FDEDRO
CN1CC[NH+]([C@@H]2CCCCN(Cc3cnc4ccc(C#N)cn34)C2)CC1	ZINC000377676307	537995067	/nfs/dbraw/zinc/99/50/67/537995067.db2.gz	PXQZRTMBSUNABN-GOSISDBHSA-N	1	0	352.486	1.808	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)[N@H+](C)Cc1ccccc1	ZINC000369220524	538005979	/nfs/dbraw/zinc/00/59/79/538005979.db2.gz	SWNHHLAPLQOTLU-QFBILLFUSA-N	1	0	355.486	1.889	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1	ZINC000415347801	538018387	/nfs/dbraw/zinc/01/83/87/538018387.db2.gz	DOZBEPVGVXROSR-HIFRSBDPSA-N	1	0	358.442	1.788	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1	ZINC000415407921	538034644	/nfs/dbraw/zinc/03/46/44/538034644.db2.gz	QKSYIKJREAFPOQ-AWEZNQCLSA-N	1	0	358.442	1.790	20	30		FDEDRO
CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000415453156	538055508	/nfs/dbraw/zinc/05/55/08/538055508.db2.gz	YWTSZPXSPSQPHM-LBPRGKRZSA-N	1	0	353.220	1.359	20	30		FDEDRO
N#CCC[C@H](NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1	ZINC000419483138	538076115	/nfs/dbraw/zinc/07/61/15/538076115.db2.gz	ZFXNDIMUZFFCKH-TVFCKZIOSA-N	1	0	354.454	1.652	20	30		FDEDRO
C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000423621436	538123690	/nfs/dbraw/zinc/12/36/90/538123690.db2.gz	YBLJSKOXMSZCFZ-INIZCTEOSA-N	1	0	370.453	1.138	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1	ZINC000419867837	538123896	/nfs/dbraw/zinc/12/38/96/538123896.db2.gz	BCXUGOQLGUMZJF-QAPCUYQASA-N	1	0	356.470	1.801	20	30		FDEDRO
N#Cc1cccc(OC2CCN(C(=O)C(=O)N[C@H]3CCC[C@H]([NH3+])C3)CC2)c1	ZINC000419903500	538139400	/nfs/dbraw/zinc/13/94/00/538139400.db2.gz	WVNVTOBOJJSPNE-HOTGVXAUSA-N	1	0	370.453	1.314	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1	ZINC000419906246	538140362	/nfs/dbraw/zinc/14/03/62/538140362.db2.gz	WPHLVZIXGPTUSA-MAUKXSAKSA-N	1	0	372.469	1.038	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)cc1	ZINC000439340847	538168674	/nfs/dbraw/zinc/16/86/74/538168674.db2.gz	CYDAWJUYVAFGNA-CQSZACIVSA-N	1	0	358.442	1.094	20	30		FDEDRO
N#CCCn1ccc(=NC(=O)C(=O)NC2CC[NH+](C3CCCCC3)CC2)[nH]1	ZINC000444528102	538172481	/nfs/dbraw/zinc/17/24/81/538172481.db2.gz	NCOCWVJXFMPIJQ-UHFFFAOYSA-N	1	0	372.473	1.649	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CCc2nnnn2CC1)C(C)C	ZINC000422160779	538172938	/nfs/dbraw/zinc/17/29/38/538172938.db2.gz	CDGXAISVLQYTPV-HOTGVXAUSA-N	1	0	361.494	1.376	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCc2nnnn2CC1)C(C)C	ZINC000422160780	538172979	/nfs/dbraw/zinc/17/29/79/538172979.db2.gz	CDGXAISVLQYTPV-HZPDHXFCSA-N	1	0	361.494	1.376	20	30		FDEDRO
C=CCN=c1[nH]cc(C(=O)N2CC[C@@H](OCC[NH+](CC)CC)C2)s1	ZINC000433216206	538216930	/nfs/dbraw/zinc/21/69/30/538216930.db2.gz	VYQWWSFODMXKNL-CQSZACIVSA-N	1	0	352.504	2.314	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1	ZINC000420094944	538217791	/nfs/dbraw/zinc/21/77/91/538217791.db2.gz	HWJRPPZKCZMAQG-HXUWFJFHSA-N	1	0	372.469	1.039	20	30		FDEDRO
CC(C)(C)c1ccc(S(=O)(=O)CCNC(=O)[C@H]([NH3+])CCCC#N)cc1	ZINC000424111523	538236048	/nfs/dbraw/zinc/23/60/48/538236048.db2.gz	APLLAEWNQYAISX-MRXNPFEDSA-N	1	0	365.499	1.895	20	30		FDEDRO
C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000424111701	538236222	/nfs/dbraw/zinc/23/62/22/538236222.db2.gz	GZTNVGQPUCFMEX-WFASDCNBSA-N	1	0	352.460	1.135	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)CCCc2ccccc2)CC1	ZINC000424112939	538237296	/nfs/dbraw/zinc/23/72/96/538237296.db2.gz	LHFMSWXHDLRXFK-SFHVURJKSA-N	1	0	356.470	1.701	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1	ZINC000424117484	538239362	/nfs/dbraw/zinc/23/93/62/538239362.db2.gz	YYLCJQFNIFMYBW-INIZCTEOSA-N	1	0	360.483	1.764	20	30		FDEDRO
CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)[C@H]([NH3+])CCCC#N)C1	ZINC000424119014	538239455	/nfs/dbraw/zinc/23/94/55/538239455.db2.gz	DBWBSXCRMTWWAR-CHWSQXEVSA-N	1	0	362.396	1.657	20	30		FDEDRO
C=CCn1c(-c2nnn(C)c2C)nnc1N1CC[NH+](C(C)(C)COC)CC1	ZINC000424133951	538244272	/nfs/dbraw/zinc/24/42/72/538244272.db2.gz	HGQMOZUZPBLODB-UHFFFAOYSA-N	1	0	374.493	1.115	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NCc1cn2cc(Br)ccc2n1	ZINC000424133352	538244281	/nfs/dbraw/zinc/24/42/81/538244281.db2.gz	MBAIJKKZEKPIMT-LBPRGKRZSA-N	1	0	350.220	1.734	20	30		FDEDRO
C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)[C@@H]([NH3+])CCCC#N	ZINC000424152102	538247171	/nfs/dbraw/zinc/24/71/71/538247171.db2.gz	IGMUJTYPQHMHOA-MJGOQNOKSA-N	1	0	358.486	1.757	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000424178470	538248547	/nfs/dbraw/zinc/24/85/47/538248547.db2.gz	WOSQUTVDYQTNBR-UONOGXRCSA-N	1	0	368.359	1.726	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O	ZINC000424177465	538249335	/nfs/dbraw/zinc/24/93/35/538249335.db2.gz	UNHUHWQUMGYFQH-QWHCGFSZSA-N	1	0	368.359	1.948	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1	ZINC000420201446	538254593	/nfs/dbraw/zinc/25/45/93/538254593.db2.gz	FHQHNBAYZWDLNT-FGTMMUONSA-N	1	0	371.481	1.714	20	30		FDEDRO
C=CCN(Cc1ccccc1F)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1	ZINC000420201545	538254864	/nfs/dbraw/zinc/25/48/64/538254864.db2.gz	FLTDTWXCNQAPNB-BHYGNILZSA-N	1	0	359.445	1.845	20	30		FDEDRO
CCn1cncc1S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000433813267	538273834	/nfs/dbraw/zinc/27/38/34/538273834.db2.gz	PJSHWQXHVALNMR-UHFFFAOYSA-N	1	0	361.471	1.527	20	30		FDEDRO
C[C@@]1(CNC(=O)CNc2ccc(C#N)cn2)CCC[N@@H+]1Cc1ccccc1	ZINC000428324856	538287609	/nfs/dbraw/zinc/28/76/09/538287609.db2.gz	KIRYYEODOFCKES-NRFANRHFSA-N	1	0	363.465	2.536	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H](C)C[C@H]2C[NH3+])c1	ZINC000420429483	538294032	/nfs/dbraw/zinc/29/40/32/538294032.db2.gz	ZVRATRALQKOUSH-ZFWWWQNUSA-N	1	0	351.472	1.350	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CC[NH2+]CC2(C)C)c1	ZINC000420470635	538302094	/nfs/dbraw/zinc/30/20/94/538302094.db2.gz	XKXYVBZAHILXJP-OAHLLOKOSA-N	1	0	351.472	1.269	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000441722853	538335863	/nfs/dbraw/zinc/33/58/63/538335863.db2.gz	AOACTFIXEODEOB-IAGOWNOFSA-N	1	0	374.416	1.130	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@](C)(C(=O)OC)c1ccc(F)cc1	ZINC000447023917	538342197	/nfs/dbraw/zinc/34/21/97/538342197.db2.gz	RKVZICMEUDTRIW-SGTLLEGYSA-N	1	0	365.405	1.246	20	30		FDEDRO
C=C(C)COCCNC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C	ZINC000434814108	538353287	/nfs/dbraw/zinc/35/32/87/538353287.db2.gz	MVMSHZOZHKBGFD-MRXNPFEDSA-N	1	0	361.442	1.719	20	30		FDEDRO
C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)N3CCC(C#N)CC3)cccc21	ZINC000434913291	538365523	/nfs/dbraw/zinc/36/55/23/538365523.db2.gz	MRTGMOGGFNDKNX-INIZCTEOSA-N	1	0	356.426	1.772	20	30		FDEDRO
C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@@H](C#N)C1	ZINC000420971671	538368119	/nfs/dbraw/zinc/36/81/19/538368119.db2.gz	IQDHBODZJHCFDX-OCCSQVGLSA-N	1	0	352.416	1.497	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)C2(c3cccc(C#N)c3)CC2)CC1	ZINC000435026401	538376772	/nfs/dbraw/zinc/37/67/72/538376772.db2.gz	IGTOSKSMXWSJEJ-QGZVFWFLSA-N	1	0	354.498	1.980	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C[C@H](C)[NH2+]1	ZINC000423527075	538398593	/nfs/dbraw/zinc/39/85/93/538398593.db2.gz	MBNOFHGWULUPAO-CIRFHOKZSA-N	1	0	354.454	1.494	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)C[C@H](C)[NH2+]1	ZINC000423527076	538399163	/nfs/dbraw/zinc/39/91/63/538399163.db2.gz	MBNOFHGWULUPAO-CYGHRXIMSA-N	1	0	354.454	1.494	20	30		FDEDRO
N#Cc1ncc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1Cl	ZINC000453647512	538415973	/nfs/dbraw/zinc/41/59/73/538415973.db2.gz	WIKVOUVVXNPSPX-LLVKDONJSA-N	1	0	361.833	1.678	20	30		FDEDRO
Cc1cc(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)ncc1C#N	ZINC000457399046	538490231	/nfs/dbraw/zinc/49/02/31/538490231.db2.gz	XRPAUAXJRSAREH-UHFFFAOYSA-N	1	0	363.465	1.809	20	30		FDEDRO
CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)Cn1cnc(C#N)n1	ZINC000494401984	538536048	/nfs/dbraw/zinc/53/60/48/538536048.db2.gz	CLFHLZUZBFVMFK-KRWDZBQOSA-N	1	0	366.469	1.739	20	30		FDEDRO
CC[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000560602222	545554305	/nfs/dbraw/zinc/55/43/05/545554305.db2.gz	MAXBPHMSWLEFBT-OAGGEKHMSA-N	1	0	362.499	1.614	20	30		FDEDRO
C[N@H+](Cc1ccccc1)C1(CNC(=O)NCCn2cnc(C#N)n2)CCC1	ZINC000454938106	538644205	/nfs/dbraw/zinc/64/42/05/538644205.db2.gz	FTZBVMGNSVPVIB-UHFFFAOYSA-N	1	0	367.457	1.504	20	30		FDEDRO
C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2ccc(C#N)nc2)c1	ZINC000462754034	538655811	/nfs/dbraw/zinc/65/58/11/538655811.db2.gz	NDKZPZCHAXXXFJ-UHFFFAOYSA-N	1	0	373.438	1.045	20	30		FDEDRO
N#CC1(CS(=O)(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CCC1	ZINC000477606563	538660929	/nfs/dbraw/zinc/66/09/29/538660929.db2.gz	UGOGMCKWALOVDJ-UHFFFAOYSA-N	1	0	355.504	1.587	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH+]2C[C@H](OC)[C@@H](OC)C2)c(OC)c1	ZINC000488106735	538710747	/nfs/dbraw/zinc/71/07/47/538710747.db2.gz	LXHVFAROCQXGEJ-MNEFBYGVSA-N	1	0	351.443	1.509	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1	ZINC000488179952	538721262	/nfs/dbraw/zinc/72/12/62/538721262.db2.gz	QKFFOBYKRUSBKU-IAGOWNOFSA-N	1	0	350.507	1.086	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCN(CCC(=O)Nc2sccc2C#N)CC1	ZINC000473050465	538740153	/nfs/dbraw/zinc/74/01/53/538740153.db2.gz	TVZBLDHSTAPQPI-UHFFFAOYSA-N	1	0	363.487	1.044	20	30		FDEDRO
CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N(CCC#N)CCC[NH+](C)C)c1	ZINC000469215758	538785917	/nfs/dbraw/zinc/78/59/17/538785917.db2.gz	IBRQELMQVWRKGD-UHFFFAOYSA-N	1	0	369.491	1.009	20	30		FDEDRO
C=CCCCS(=O)(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1	ZINC000489097600	538788386	/nfs/dbraw/zinc/78/83/86/538788386.db2.gz	FCSQCKGNEOEAGL-UHFFFAOYSA-N	1	0	352.504	1.609	20	30		FDEDRO
C=CCN(C(=O)[C@H]([NH3+])CC(F)F)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000498216164	538814458	/nfs/dbraw/zinc/81/44/58/538814458.db2.gz	NBANLPPBUHTFDP-SMDDNHRTSA-N	1	0	350.373	1.720	20	30		FDEDRO
COc1cccc([C@H](CNC(=O)c2cnn(C)c2C#N)[NH+]2CCCC2)c1	ZINC000474215358	538828054	/nfs/dbraw/zinc/82/80/54/538828054.db2.gz	UUZRDZPFORVOLL-SFHVURJKSA-N	1	0	353.426	1.867	20	30		FDEDRO
CC(C)[C@H]([NH2+]CC#Cc1ccccc1)C(=O)N(C)Cc1nnc2n1CCC2	ZINC000471025260	538843783	/nfs/dbraw/zinc/84/37/83/538843783.db2.gz	KGSKWIABTAZXGR-FQEVSTJZSA-N	1	0	365.481	1.849	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC2CC[NH+](C)CC2)cc1	ZINC000480975035	538868074	/nfs/dbraw/zinc/86/80/74/538868074.db2.gz	YACQNAXEAJBIBK-ZDUSSCGKSA-N	1	0	364.471	1.836	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)CCc2ccc(C#N)cc2)(N2CCOCC2)CC1	ZINC000560776315	545602327	/nfs/dbraw/zinc/60/23/27/545602327.db2.gz	CWAZDUVYIUCIBS-UHFFFAOYSA-N	1	0	370.497	1.404	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)CC1	ZINC000560863346	545622280	/nfs/dbraw/zinc/62/22/80/545622280.db2.gz	IATTVUAQSYYQJX-SFHVURJKSA-N	1	0	356.470	1.382	20	30		FDEDRO
C[NH+](C)CCOC1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1	ZINC000561713503	545934077	/nfs/dbraw/zinc/93/40/77/545934077.db2.gz	WKNHVHMIFYYSPA-UHFFFAOYSA-N	1	0	351.472	1.431	20	30		FDEDRO
CC1(C)COC[C@@H]1[NH2+]CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000562738075	546249592	/nfs/dbraw/zinc/24/95/92/546249592.db2.gz	OCUXWTNHRZXFDH-MSOLQXFVSA-N	1	0	374.460	1.549	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCN(S(C)(=O)=O)C1)C(C)C	ZINC000563232803	546458184	/nfs/dbraw/zinc/45/81/84/546458184.db2.gz	KWMWKYCRQFVBFI-JKSUJKDBSA-N	1	0	372.535	1.018	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@@]1(c2ccccc2)CCC(=O)NC1	ZINC000563374607	546505815	/nfs/dbraw/zinc/50/58/15/546505815.db2.gz	PNPAAGNNUOMHIF-FQEVSTJZSA-N	1	0	356.470	1.528	20	30		FDEDRO
Cc1nsc(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1C#N	ZINC000563497320	546557815	/nfs/dbraw/zinc/55/78/15/546557815.db2.gz	XCGCFJCOTLPVFA-SNVBAGLBSA-N	1	0	362.381	1.281	20	30		FDEDRO
C=CCn1c(N2CCN(C(=O)C[NH+]3CCCC3)CC2)nnc1C(C)(C)C	ZINC000563549044	546584817	/nfs/dbraw/zinc/58/48/17/546584817.db2.gz	SPLUZGTXZZPOGI-UHFFFAOYSA-N	1	0	360.506	1.506	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@]4(CC[NH2+]C4)C3)n2)c(F)c1	ZINC000563797071	546686238	/nfs/dbraw/zinc/68/62/38/546686238.db2.gz	PPHXCZHXZBFHJY-SFHVURJKSA-N	1	0	354.389	2.100	20	30		FDEDRO
Cc1c(Br)cc(C(=O)NC2(C#N)CC[NH+](C)CC2)c(=O)n1C	ZINC000564557260	546952061	/nfs/dbraw/zinc/95/20/61/546952061.db2.gz	LTNXFWGEHGTJDL-UHFFFAOYSA-N	1	0	367.247	1.174	20	30		FDEDRO
CC(C)CN1CCCC[C@@H]1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000564854505	547069262	/nfs/dbraw/zinc/06/92/62/547069262.db2.gz	QTFUDCKFVATUFG-QGZVFWFLSA-N	1	0	364.515	1.827	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCO[C@H](C2CC2)C1)C(C)C	ZINC000565378235	547327421	/nfs/dbraw/zinc/32/74/21/547327421.db2.gz	QQIWFBBRAUIKSB-ROUUACIJSA-N	1	0	363.502	1.439	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2ccc3c(c2)OCCO3)nc1	ZINC000565681392	547442244	/nfs/dbraw/zinc/44/22/44/547442244.db2.gz	IJHVKLIAYLJXAR-UHFFFAOYSA-N	1	0	359.407	1.288	20	30		FDEDRO
Cc1nn(C)c(C)c1C[C@H](C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000565829072	547498612	/nfs/dbraw/zinc/49/86/12/547498612.db2.gz	SXRWHSGLZCNWGP-ZDUSSCGKSA-N	1	0	360.483	1.903	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+]CC(=O)N2CCCCC2)c(OC)c1	ZINC000565887578	547520307	/nfs/dbraw/zinc/52/03/07/547520307.db2.gz	WIKULVAKUZCBAL-QGZVFWFLSA-N	1	0	362.470	1.766	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1	ZINC000565904304	547527591	/nfs/dbraw/zinc/52/75/91/547527591.db2.gz	CXPUPBMVSCKZAJ-SFHVURJKSA-N	1	0	359.470	1.601	20	30		FDEDRO
C[C@@H](COCC(F)(F)F)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1	ZINC000566109677	547607976	/nfs/dbraw/zinc/60/79/76/547607976.db2.gz	RLAMSFJOQQPHEH-NSHDSACASA-N	1	0	350.362	1.889	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]CCC(=O)N2CCCCCC2)c1	ZINC000566108962	547607991	/nfs/dbraw/zinc/60/79/91/547607991.db2.gz	HOWWPFIZRBPEBP-UHFFFAOYSA-N	1	0	363.483	1.714	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CCOC3(CCOCC3)C2)c1	ZINC000566114728	547611615	/nfs/dbraw/zinc/61/16/15/547611615.db2.gz	DMAUHFIELHBKGB-MRXNPFEDSA-N	1	0	364.467	1.650	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)cc1	ZINC000566125084	547616255	/nfs/dbraw/zinc/61/62/55/547616255.db2.gz	PBJLUOLVQFGYRK-SUMDDJOVSA-N	1	0	355.394	1.518	20	30		FDEDRO
CCOC(=O)CC[C@@H](O)C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000566131955	547618566	/nfs/dbraw/zinc/61/85/66/547618566.db2.gz	HUUJMUKKQLFFNS-IAGOWNOFSA-N	1	0	359.426	1.347	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc3c(c2)C(=O)NCC3)cc1	ZINC000566132663	547619034	/nfs/dbraw/zinc/61/90/34/547619034.db2.gz	ZJMLVUUNAIAGKJ-KRWDZBQOSA-N	1	0	351.406	1.374	20	30		FDEDRO
COc1ccc([C@H](CO)C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)cc1	ZINC000566230876	547672056	/nfs/dbraw/zinc/67/20/56/547672056.db2.gz	FPZOYVCPFUOXJR-ROUUACIJSA-N	1	0	356.422	1.672	20	30		FDEDRO
N#Cc1cnn2c1NC[C@H](C[N@@H+]1CCC[C@H](c3noc(C4CC4)n3)C1)C2	ZINC000566245863	547681402	/nfs/dbraw/zinc/68/14/02/547681402.db2.gz	WSHXAENCIULAFH-OCCSQVGLSA-N	1	0	353.430	1.936	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CCC(CC[NH3+])CC2)cc1C#N	ZINC000566366966	547730755	/nfs/dbraw/zinc/73/07/55/547730755.db2.gz	HCCVCXAGXASEMB-UHFFFAOYSA-N	1	0	358.442	1.871	20	30		FDEDRO
O=C(NCC#Cc1cccc(F)c1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000566784549	547883946	/nfs/dbraw/zinc/88/39/46/547883946.db2.gz	JNSBEEOXPBGFEQ-RBUKOAKNSA-N	1	0	359.445	1.854	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000566963384	547945553	/nfs/dbraw/zinc/94/55/53/547945553.db2.gz	WEBZALXXOZINRF-YVSFHVDLSA-N	1	0	364.490	1.010	20	30		FDEDRO
N#CCCC1CCN(C(=O)C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC1	ZINC000567110405	547998400	/nfs/dbraw/zinc/99/84/00/547998400.db2.gz	CNFOULSFQMWCJP-UHFFFAOYSA-N	1	0	358.417	1.952	20	30		FDEDRO
N#Cc1c(C#N)c(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)nc2c1CCCCCC2	ZINC000567179321	548024570	/nfs/dbraw/zinc/02/45/70/548024570.db2.gz	CYUSHCOYCCOBDT-CXAGYDPISA-N	1	0	364.453	1.232	20	30		FDEDRO
CC(C)[NH2+]CCCNC(=O)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1	ZINC000567364106	548093550	/nfs/dbraw/zinc/09/35/50/548093550.db2.gz	FVKODHHZYSEIIH-UHFFFAOYSA-N	1	0	354.454	1.678	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)NCc1ccc(CC#N)cc1)[NH+]1CCC(C)CC1	ZINC000567384068	548100578	/nfs/dbraw/zinc/10/05/78/548100578.db2.gz	QSTUWHNAQIKWOF-MRXNPFEDSA-N	1	0	356.470	1.605	20	30		FDEDRO
COc1ccc2c(c1)OC[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C2	ZINC000567685509	548211979	/nfs/dbraw/zinc/21/19/79/548211979.db2.gz	BNZJXNJHSHINQF-MRXNPFEDSA-N	1	0	372.446	1.934	20	30		FDEDRO
COc1ccc2c(c1)OC[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C2	ZINC000567685508	548212782	/nfs/dbraw/zinc/21/27/82/548212782.db2.gz	BNZJXNJHSHINQF-INIZCTEOSA-N	1	0	372.446	1.934	20	30		FDEDRO
CS(=O)(=O)C1CCC([NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000567689350	548213603	/nfs/dbraw/zinc/21/36/03/548213603.db2.gz	IMJLQUAHQPYTQJ-CKDBGZEDSA-N	1	0	352.456	1.243	20	30		FDEDRO
CC(C)[NH2+]CCCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000567712044	548224708	/nfs/dbraw/zinc/22/47/08/548224708.db2.gz	CURLHPDXJRDTHL-UHFFFAOYSA-N	1	0	372.347	1.900	20	30		FDEDRO
C[NH+](C)CCCOc1cnccc1CNS(=O)(=O)c1ccc(C#N)o1	ZINC000568319714	548488928	/nfs/dbraw/zinc/48/89/28/548488928.db2.gz	RKPUGNSLYBUNHZ-UHFFFAOYSA-N	1	0	364.427	1.355	20	30		FDEDRO
N#Cc1ccc(NCCCC[NH+]2CCN(Cc3ccccc3)CC2)nc1N	ZINC000568531629	548577586	/nfs/dbraw/zinc/57/75/86/548577586.db2.gz	ISFRDWOREBHTAU-UHFFFAOYSA-N	1	0	364.497	2.545	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1	ZINC000568601196	548600363	/nfs/dbraw/zinc/60/03/63/548600363.db2.gz	RKZPUFKRBJGJHS-MKXGPGLRSA-N	1	0	359.470	1.655	20	30		FDEDRO
COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C[C@@H]2CNc3c(C#N)cnn3C2)CC1	ZINC000568765631	548673243	/nfs/dbraw/zinc/67/32/43/548673243.db2.gz	PUCWSDDWJFYTDT-XKQJLSEDSA-N	1	0	373.457	1.087	20	30		FDEDRO
C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C	ZINC000568840704	548697567	/nfs/dbraw/zinc/69/75/67/548697567.db2.gz	LFJLAVGXEPVEER-UONOGXRCSA-N	1	0	358.494	1.877	20	30		FDEDRO
C[S@@](=O)Cc1ccc(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)cc1	ZINC000568874228	548715300	/nfs/dbraw/zinc/71/53/00/548715300.db2.gz	VFMINENETRUHSB-AVRWGWEMSA-N	1	0	358.463	1.966	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)Cc3ccc(F)cc3C#N)CC[C@@H]21	ZINC000569426761	548912195	/nfs/dbraw/zinc/91/21/95/548912195.db2.gz	SZHCFSGWZORKHC-DYVFJYSZSA-N	1	0	351.447	1.943	20	30		FDEDRO
C[C@@H]1COCC[C@H]1[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000569657186	548995985	/nfs/dbraw/zinc/99/59/85/548995985.db2.gz	NXDRBBPQKIMCBS-OAGGEKHMSA-N	1	0	362.499	1.472	20	30		FDEDRO
CC(C)[NH2+]CCCNS(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000569693143	549013903	/nfs/dbraw/zinc/01/39/03/549013903.db2.gz	WEHRRUFSYKDQQR-UHFFFAOYSA-N	1	0	360.277	1.987	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[C@H](CC[NH3+])C3)C2=O)cc1	ZINC000569794281	549048849	/nfs/dbraw/zinc/04/88/49/549048849.db2.gz	MQSPURZLQVFQTN-AEFFLSMTSA-N	1	0	369.469	1.430	20	30		FDEDRO
CSc1ccc([C@H](CNC(=O)[C@@H](C)n2cnc(C#N)n2)[NH+](C)C)cc1	ZINC000569959818	549110466	/nfs/dbraw/zinc/11/04/66/549110466.db2.gz	FDYRWMHYVZVBNW-DOMZBBRYSA-N	1	0	358.471	1.852	20	30		FDEDRO
CSc1ccc([C@H](CNC(=O)[C@H](C)n2cnc(C#N)n2)[NH+](C)C)cc1	ZINC000569959946	549110662	/nfs/dbraw/zinc/11/06/62/549110662.db2.gz	FDYRWMHYVZVBNW-WFASDCNBSA-N	1	0	358.471	1.852	20	30		FDEDRO
CS(=O)(=O)Cc1ccc(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)cc1	ZINC000570144644	549173596	/nfs/dbraw/zinc/17/35/96/549173596.db2.gz	MROJRXBBAMJKNS-SFHVURJKSA-N	1	0	374.462	1.632	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)CCCO1	ZINC000570358181	549251164	/nfs/dbraw/zinc/25/11/64/549251164.db2.gz	FAJXZMIYABKPKI-MRXNPFEDSA-N	1	0	372.469	1.134	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]CCc2cn3c(n2)SCC3)cc1	ZINC000570391214	549261828	/nfs/dbraw/zinc/26/18/28/549261828.db2.gz	YADQUEMKDHEUQG-INIZCTEOSA-N	1	0	358.467	1.627	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCN(c3ncccc3F)C2)cc1	ZINC000570390409	549262194	/nfs/dbraw/zinc/26/21/94/549262194.db2.gz	CCTZXKNSJSILST-HZPDHXFCSA-N	1	0	356.401	1.701	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]CCc2cn3c(n2)CCCC3)c1	ZINC000570444505	549281986	/nfs/dbraw/zinc/28/19/86/549281986.db2.gz	QLWYHHQJBMAEKZ-UHFFFAOYSA-N	1	0	358.467	1.697	20	30		FDEDRO
COCCCN1CCC([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000570509283	549305464	/nfs/dbraw/zinc/30/54/64/549305464.db2.gz	WUOALDLTXWNAHL-UHFFFAOYSA-N	1	0	365.499	1.422	20	30		FDEDRO
CC(=O)NCC[C@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000570994407	549486828	/nfs/dbraw/zinc/48/68/28/549486828.db2.gz	JYPXBZGTXKSJSI-MJGOQNOKSA-N	1	0	354.454	1.902	20	30		FDEDRO
CCCN(C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CC[NH2+]C1	ZINC000571387819	549626329	/nfs/dbraw/zinc/62/63/29/549626329.db2.gz	HOYDBHSYOQIJSJ-QZTJIDSGSA-N	1	0	369.469	1.443	20	30		FDEDRO
CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCO[C@@H](C#N)C1	ZINC000572254155	549875516	/nfs/dbraw/zinc/87/55/16/549875516.db2.gz	MEQJXCRTEZZURA-CEXWTWQISA-N	1	0	372.469	1.457	20	30		FDEDRO
C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cn2)C1	ZINC000572345959	549894034	/nfs/dbraw/zinc/89/40/34/549894034.db2.gz	ZJAVKFDAKDQBGW-WMLDXEAASA-N	1	0	363.421	1.843	20	30		FDEDRO
C=CCSc1ccccc1NC(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1	ZINC000572379695	549901714	/nfs/dbraw/zinc/90/17/14/549901714.db2.gz	NUDLVXITQUZULW-KBPBESRZSA-N	1	0	360.483	1.147	20	30		FDEDRO
C[C@H](NC(=O)C(=O)Nc1cccc(C#N)n1)[C@@H](c1ccccc1)[NH+](C)C	ZINC000572840621	550006607	/nfs/dbraw/zinc/00/66/07/550006607.db2.gz	JXVCLFUDYKGXGA-GUYCJALGSA-N	1	0	351.410	1.699	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1	ZINC000572971043	550035666	/nfs/dbraw/zinc/03/56/66/550035666.db2.gz	LSJZDWARHSUZJB-HXUWFJFHSA-N	1	0	370.453	1.143	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)N2CCN(c3cnccc3C#N)CC2)CC1	ZINC000573658293	550185714	/nfs/dbraw/zinc/18/57/14/550185714.db2.gz	MDSPQXLKCCKCPY-UHFFFAOYSA-N	1	0	356.474	1.659	20	30		FDEDRO
C[NH+](C)CCOc1cnccc1CNS(=O)(=O)CCC(C)(C)C#N	ZINC000574487344	550321779	/nfs/dbraw/zinc/32/17/79/550321779.db2.gz	GKYKNHKKIVZWNM-UHFFFAOYSA-N	1	0	354.476	1.381	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)CC1	ZINC000574605016	550340599	/nfs/dbraw/zinc/34/05/99/550340599.db2.gz	FBJBVDSZEIESQV-CWVBCOCOSA-N	1	0	356.514	1.823	20	30		FDEDRO
N#CC1CCC(CNC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CC1	ZINC000574623667	550343671	/nfs/dbraw/zinc/34/36/71/550343671.db2.gz	YIDZDBANMHWCPX-HIEASXQVSA-N	1	0	360.502	1.813	20	30		FDEDRO
CCNC(=O)c1cccc(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)c1	ZINC000574803665	550373250	/nfs/dbraw/zinc/37/32/50/550373250.db2.gz	QFPHDVZBNLOXGB-SFHVURJKSA-N	1	0	353.422	1.837	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000575355964	550457293	/nfs/dbraw/zinc/45/72/93/550457293.db2.gz	PXZCVYWISCJAMM-BHYGNILZSA-N	1	0	351.491	1.341	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)ncc1C#N	ZINC000576170356	550519074	/nfs/dbraw/zinc/51/90/74/550519074.db2.gz	HQPJEOREULVJHS-JGGQBBKZSA-N	1	0	355.442	1.389	20	30		FDEDRO
Cc1cc(C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)ncc1C#N	ZINC000576713722	550578225	/nfs/dbraw/zinc/57/82/25/550578225.db2.gz	SOLRABQZCYFJHG-FQEVSTJZSA-N	1	0	363.465	1.980	20	30		FDEDRO
C[C@H](CN1C[C@H](C)C[C@@H](C)C1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000577275331	550639306	/nfs/dbraw/zinc/63/93/06/550639306.db2.gz	UYVNHLMCGVWNKF-BZUAXINKSA-N	1	0	364.515	1.683	20	30		FDEDRO
C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)C(=O)NC[C@@H]1CCS(=O)(=O)C1	ZINC000577667021	550681341	/nfs/dbraw/zinc/68/13/41/550681341.db2.gz	WKAYGBXHPRJRPM-JDFRZJQESA-N	1	0	361.467	1.075	20	30		FDEDRO
CC[C@@H]1Oc2cc([C@H](C)[NH2+]C[C@@H](O)CN(C)CCC#N)ccc2NC1=O	ZINC000578006514	550718145	/nfs/dbraw/zinc/71/81/45/550718145.db2.gz	ICJBXDLRDXIWCU-LXZKKBNFSA-N	1	0	360.458	1.653	20	30		FDEDRO
COC(=O)c1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(C#N)c(OC)c2)cc1	ZINC000578500260	550769862	/nfs/dbraw/zinc/76/98/62/550769862.db2.gz	SDQLGJPBOIITPP-KRWDZBQOSA-N	1	0	370.405	1.883	20	30		FDEDRO
CCc1ccccc1[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(C#N)cc1OC	ZINC000578739569	550795935	/nfs/dbraw/zinc/79/59/35/550795935.db2.gz	HQIYZESARQVPPP-MRXNPFEDSA-N	1	0	366.421	1.884	20	30		FDEDRO
C[N@@H+]1CCN(CCNS(=O)(=O)Cc2ccc(CC#N)cc2)CC1(C)C	ZINC000579117421	550837825	/nfs/dbraw/zinc/83/78/25/550837825.db2.gz	DCZPUVKWFRGKJB-UHFFFAOYSA-N	1	0	364.515	1.198	20	30		FDEDRO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)CC1	ZINC000579349073	550863707	/nfs/dbraw/zinc/86/37/07/550863707.db2.gz	ATIFVVAIXOENOZ-IKGGRYGDSA-N	1	0	374.510	1.568	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1	ZINC000579368417	550866482	/nfs/dbraw/zinc/86/64/82/550866482.db2.gz	SWLRUNBOTGZEGK-DLBZAZTESA-N	1	0	351.406	1.817	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCSCC(F)(F)F)nc1	ZINC000579583041	550888500	/nfs/dbraw/zinc/88/85/00/550888500.db2.gz	ZGQDOCCZRNTFKM-UHFFFAOYSA-N	1	0	353.391	1.612	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1	ZINC000579710092	550902378	/nfs/dbraw/zinc/90/23/78/550902378.db2.gz	AHLJNKDGMCMJKG-ZHALLVOQSA-N	1	0	360.454	1.455	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCCS(=O)(=O)C1	ZINC000579944290	550926318	/nfs/dbraw/zinc/92/63/18/550926318.db2.gz	LAUHJNQHPISWCG-DOTOQJQBSA-N	1	0	353.484	1.569	20	30		FDEDRO
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCC2CC[NH2+]CC2)n1	ZINC000580298269	550963809	/nfs/dbraw/zinc/96/38/09/550963809.db2.gz	JRAOLLAHDOWVBL-UHFFFAOYSA-N	1	0	358.833	2.518	20	30		FDEDRO
C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)C(=O)N1Cc2ccccc2C1	ZINC000580436347	550982307	/nfs/dbraw/zinc/98/23/07/550982307.db2.gz	ZQMZUWUSVKRJCN-KXBFYZLASA-N	1	0	365.433	1.818	20	30		FDEDRO
N#Cc1nc(N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)ccc1C(F)(F)F	ZINC000580755269	551014673	/nfs/dbraw/zinc/01/46/73/551014673.db2.gz	QZYUFZPCNXQYES-LBPRGKRZSA-N	1	0	367.375	1.763	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000580867412	551026774	/nfs/dbraw/zinc/02/67/74/551026774.db2.gz	UBEVFAZZLVYTIX-HNNXBMFYSA-N	1	0	356.426	1.450	20	30		FDEDRO
C[C@H]1COCCN1C1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000580930616	551033619	/nfs/dbraw/zinc/03/36/19/551033619.db2.gz	QSKDFFNUTXVANL-QFBILLFUSA-N	1	0	359.470	1.483	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@@]4(CCOC4)C3)CC2)o1	ZINC000581173290	551059551	/nfs/dbraw/zinc/05/95/51/551059551.db2.gz	ODODGDJAGTVHQH-LJQANCHMSA-N	1	0	373.457	1.006	20	30		FDEDRO
C=CCn1c([C@H]2CCOC2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C	ZINC000581516904	551098622	/nfs/dbraw/zinc/09/86/22/551098622.db2.gz	CRPAWKRDIOHIIL-HOTGVXAUSA-N	1	0	361.490	1.658	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)Nc2ccc(CC#N)cc2)(N2CCOCC2)CC1	ZINC000581990146	551159794	/nfs/dbraw/zinc/15/97/94/551159794.db2.gz	CHDJQJNLDLJQFR-UHFFFAOYSA-N	1	0	371.485	1.671	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1	ZINC000582112050	551177291	/nfs/dbraw/zinc/17/72/91/551177291.db2.gz	JHSDJNANKCTHGJ-CQSZACIVSA-N	1	0	360.483	1.105	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000582143531	551182189	/nfs/dbraw/zinc/18/21/89/551182189.db2.gz	XBANXTMVEAGJDE-HZPDHXFCSA-N	1	0	351.491	1.417	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+]CCN3C[C@H]4CC[C@@H](C3)O4)CC2)cc1	ZINC000582163013	551183891	/nfs/dbraw/zinc/18/38/91/551183891.db2.gz	XBIXBXOYYTZAQB-OYRHEFFESA-N	1	0	354.498	1.975	20	30		FDEDRO
CC[NH+](CC)CCOC1CCN(C(=O)C(=O)Nc2cccc(C#N)n2)CC1	ZINC000582359192	551212542	/nfs/dbraw/zinc/21/25/42/551212542.db2.gz	WOKIVBPYMWDUEI-UHFFFAOYSA-N	1	0	373.457	1.241	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]Cc3ccnc(OC4CCOCC4)c3)cnc12	ZINC000583026053	551293501	/nfs/dbraw/zinc/29/35/01/551293501.db2.gz	PWJOUYQFFNTTLP-UHFFFAOYSA-N	1	0	364.409	1.844	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCC(CO)([NH2+]CC2CC2)CC1	ZINC000583148910	551310767	/nfs/dbraw/zinc/31/07/67/551310767.db2.gz	TXRMINQQLLMVKP-YJBOKZPZSA-N	1	0	350.507	1.256	20	30		FDEDRO
CN1CCC(CCO)([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1	ZINC000583154102	551311336	/nfs/dbraw/zinc/31/13/36/551311336.db2.gz	YILPNDQVUVXHHP-UHFFFAOYSA-N	1	0	356.514	1.959	20	30		FDEDRO
CN(C)C[C@](C)(C#N)NC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1	ZINC000583179310	551314582	/nfs/dbraw/zinc/31/45/82/551314582.db2.gz	LJTARWBFTAIMGZ-HNNXBMFYSA-N	1	0	366.347	1.860	20	30		FDEDRO
C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)N1CCC(C)CC1	ZINC000583866740	551413082	/nfs/dbraw/zinc/41/30/82/551413082.db2.gz	FWRJOCMJEBKGTD-HNNXBMFYSA-N	1	0	350.488	1.437	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@]4(CC[NH2+]C4)C3)cc2C1=O	ZINC000583870204	551413349	/nfs/dbraw/zinc/41/33/49/551413349.db2.gz	DPZLOYIMXVMYOC-FQEVSTJZSA-N	1	0	353.422	1.684	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H](O)CCc2ccccc2)c1	ZINC000584232209	551468083	/nfs/dbraw/zinc/46/80/83/551468083.db2.gz	JQRXENCOQAOEDL-SFHVURJKSA-N	1	0	358.463	1.915	20	30		FDEDRO
N#CCCn1cc(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c(-c2ccncc2)n1	ZINC000584236450	551468838	/nfs/dbraw/zinc/46/88/38/551468838.db2.gz	IICFEIBGVRWSLL-HNNXBMFYSA-N	1	0	364.453	1.959	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)NCc1ccc(C#N)cc1F)c1cccs1	ZINC000585685910	551581829	/nfs/dbraw/zinc/58/18/29/551581829.db2.gz	WNAQPVNCCUBTNO-OAHLLOKOSA-N	1	0	374.441	1.794	20	30		FDEDRO
C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C1CCN(CC#N)CC1	ZINC000585725074	551587767	/nfs/dbraw/zinc/58/77/67/551587767.db2.gz	GPRDJXUPXVNTLY-GFCCVEGCSA-N	1	0	353.264	1.577	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCc1ccc(C#N)cc1F	ZINC000585777653	551598300	/nfs/dbraw/zinc/59/83/00/551598300.db2.gz	TXZURFAVDYONCL-KGLIPLIRSA-N	1	0	360.433	1.550	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)NCc1ccc(C#N)cc1F)[NH+]1CCC(C)CC1	ZINC000586827774	551623243	/nfs/dbraw/zinc/62/32/43/551623243.db2.gz	GINCKVLIUFVVIN-AWEZNQCLSA-N	1	0	360.433	1.550	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)NCc1ccc(C#N)cc1F)C[NH+]1CCCCC1	ZINC000586859650	551626544	/nfs/dbraw/zinc/62/65/44/551626544.db2.gz	DJZPHQAUEUAOFJ-CQSZACIVSA-N	1	0	360.433	1.552	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCc2ccc(C#N)cc2F)C1	ZINC000586860380	551626632	/nfs/dbraw/zinc/62/66/32/551626632.db2.gz	CSIMGFPAVHJXLN-NVXWUHKLSA-N	1	0	358.417	1.256	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCc2ccc(C#N)cc2F)C1	ZINC000586864310	551628156	/nfs/dbraw/zinc/62/81/56/551628156.db2.gz	QQDBHOJEJUDMRT-MRXNPFEDSA-N	1	0	374.460	1.798	20	30		FDEDRO
CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)c1ccc(C#N)nc1	ZINC000587137504	551631186	/nfs/dbraw/zinc/63/11/86/551631186.db2.gz	MOMVAFYFMIDNFP-UHFFFAOYSA-N	1	0	363.465	1.843	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2)c1cccc(C#N)c1	ZINC000587674542	551633882	/nfs/dbraw/zinc/63/38/82/551633882.db2.gz	NBMWICRZTXWDOP-HNNXBMFYSA-N	1	0	354.454	1.822	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1cccc(C#N)c1	ZINC000587732201	551635689	/nfs/dbraw/zinc/63/56/89/551635689.db2.gz	RWINDCGJZMZRME-MAUKXSAKSA-N	1	0	354.454	1.822	20	30		FDEDRO
N#Cc1ccnc(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c1	ZINC000588382414	551669831	/nfs/dbraw/zinc/66/98/31/551669831.db2.gz	FGCWMEIKONRWKQ-UHFFFAOYSA-N	1	0	369.469	1.408	20	30		FDEDRO
COc1ccc(OCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1	ZINC000589057910	551707071	/nfs/dbraw/zinc/70/70/71/551707071.db2.gz	OKCGZVMMSYCLEZ-UHFFFAOYSA-N	1	0	361.423	1.404	20	30		FDEDRO
N#Cc1ccc(C[N@H+](CCO)CCN2CCOCC2)c(C(F)(F)F)c1	ZINC000589497405	551733427	/nfs/dbraw/zinc/73/34/27/551733427.db2.gz	TXYXTEWVYXXENY-UHFFFAOYSA-N	1	0	357.376	1.704	20	30		FDEDRO
C[NH+](C)CCCOc1cnccc1CNC(=O)c1cc(O)cc(C#N)c1	ZINC000589528430	551735004	/nfs/dbraw/zinc/73/50/04/551735004.db2.gz	JVARANRXKNVLPI-UHFFFAOYSA-N	1	0	354.410	1.919	20	30		FDEDRO
COc1cc(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccc1C#N	ZINC000589626286	551739090	/nfs/dbraw/zinc/73/90/90/551739090.db2.gz	CIYPTLGATHYXHC-MSOLQXFVSA-N	1	0	372.469	1.744	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCN(c3cnccc3C#N)CC2)C1	ZINC000589877082	551748700	/nfs/dbraw/zinc/74/87/00/551748700.db2.gz	VXCVWEKGEAPZTN-QGZVFWFLSA-N	1	0	370.501	1.905	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)[C@@H]2C1	ZINC000590010809	551757199	/nfs/dbraw/zinc/75/71/99/551757199.db2.gz	YQJWKWNJYAEOIN-RHSMWYFYSA-N	1	0	350.426	1.318	20	30		FDEDRO
C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)C1	ZINC000590231986	551766218	/nfs/dbraw/zinc/76/62/18/551766218.db2.gz	ISZOSILLPHFHJF-KRWDZBQOSA-N	1	0	363.421	1.625	20	30		FDEDRO
C[NH+](C)C[C@@H](CO)NC(=O)c1cccc(OCc2ccccc2C#N)c1	ZINC000590369408	551776682	/nfs/dbraw/zinc/77/66/82/551776682.db2.gz	FFBOWZLSQJXSCC-SFHVURJKSA-N	1	0	353.422	1.790	20	30		FDEDRO
CN1CC[NH+](CC2CN(C(=O)CCCCOc3cccc(C#N)c3)C2)CC1	ZINC000590399187	551780516	/nfs/dbraw/zinc/78/05/16/551780516.db2.gz	IQCNKQUFZHADJK-UHFFFAOYSA-N	1	0	370.497	1.813	20	30		FDEDRO
N#Cc1ccc(CNC(=O)CN2CCC[C@H]([NH+]3CCOCC3)CC2)cc1	ZINC000590600454	551797038	/nfs/dbraw/zinc/79/70/38/551797038.db2.gz	PDKGVTAFGLWXDQ-IBGZPJMESA-N	1	0	356.470	1.361	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1	ZINC000590781917	551815983	/nfs/dbraw/zinc/81/59/83/551815983.db2.gz	KOMAQKBFJOJGGF-GOSISDBHSA-N	1	0	369.469	1.044	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCNC1=O	ZINC000590950377	551829177	/nfs/dbraw/zinc/82/91/77/551829177.db2.gz	MYUPIWZJNQMNBK-QGZVFWFLSA-N	1	0	357.458	1.158	20	30		FDEDRO
Cc1cc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c(C#N)cc1[N+](=O)[O-]	ZINC000591151057	551847587	/nfs/dbraw/zinc/84/75/87/551847587.db2.gz	ZCWLTWXJIDMDMH-OAHLLOKOSA-N	1	0	357.414	1.693	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]2C(=O)N[C@@H](CO)C[NH+]2CCCCC2)cc1	ZINC000591219349	551851575	/nfs/dbraw/zinc/85/15/75/551851575.db2.gz	ZFCPUSNPLGSTII-MJGOQNOKSA-N	1	0	356.470	1.490	20	30		FDEDRO
N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCC3([NH3+])CCC3)cn2)c1	ZINC000591301252	551858363	/nfs/dbraw/zinc/85/83/63/551858363.db2.gz	BHCMLEWMKRJOCC-UHFFFAOYSA-N	1	0	365.393	1.682	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1	ZINC000591309176	551860316	/nfs/dbraw/zinc/86/03/16/551860316.db2.gz	ZPAUBJRWNQDGFH-LSDHHAIUSA-N	1	0	356.426	1.353	20	30		FDEDRO
C[C@H]([NH3+])CNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N	ZINC000591361257	551866142	/nfs/dbraw/zinc/86/61/42/551866142.db2.gz	OQWMVJUQFRRQLF-NSHDSACASA-N	1	0	359.409	1.044	20	30		FDEDRO
N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NC/C=C\C[NH3+])CC1	ZINC000591360930	551866185	/nfs/dbraw/zinc/86/61/85/551866185.db2.gz	LPVHSVZURARLNE-UPHRSURJSA-N	1	0	356.386	1.153	20	30		FDEDRO
C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCc1ccc(C#N)c(Cl)c1	ZINC000591395919	551867732	/nfs/dbraw/zinc/86/77/32/551867732.db2.gz	FSBWXFYTRVJQPC-CHWSQXEVSA-N	1	0	350.850	1.808	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O	ZINC000591610436	551884389	/nfs/dbraw/zinc/88/43/89/551884389.db2.gz	KVTCZJFQYNBPDX-KBPBESRZSA-N	1	0	368.359	1.948	20	30		FDEDRO
Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@H](O)CN(C)CCC#N	ZINC000591723173	551903265	/nfs/dbraw/zinc/90/32/65/551903265.db2.gz	JWBQEUOXICYYHS-IBGZPJMESA-N	1	0	355.486	1.844	20	30		FDEDRO
CN(C)[C@@]1(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CCSC1	ZINC000591748052	551905587	/nfs/dbraw/zinc/90/55/87/551905587.db2.gz	PMWVXGHDIQLOFX-MRXNPFEDSA-N	1	0	353.513	1.359	20	30		FDEDRO
COc1cc(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)ccc1O	ZINC000591756602	551906402	/nfs/dbraw/zinc/90/64/02/551906402.db2.gz	KIIWKCKTROXALN-UHFFFAOYSA-N	1	0	360.435	1.878	20	30		FDEDRO
CCc1nn(C)c(OC)c1C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1	ZINC000591758202	551906566	/nfs/dbraw/zinc/90/65/66/551906566.db2.gz	BAZZLEKBSHRFJG-HNNXBMFYSA-N	1	0	358.442	1.587	20	30		FDEDRO
N#CC[C@]1(O)CCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1	ZINC000591936870	551918418	/nfs/dbraw/zinc/91/84/18/551918418.db2.gz	ITWGNTSBRHPTPT-ICSRJNTNSA-N	1	0	356.470	1.959	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(N)=O)CC1	ZINC000592069402	551935836	/nfs/dbraw/zinc/93/58/36/551935836.db2.gz	DJUWCXMJOOZKDQ-SFHVURJKSA-N	1	0	369.469	1.514	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1cc(C#N)ccc1Cl)CCO2	ZINC000592102896	551942034	/nfs/dbraw/zinc/94/20/34/551942034.db2.gz	CJCWORMCNFCJGO-UHFFFAOYSA-N	1	0	369.874	1.697	20	30		FDEDRO
N#CC[C@@]1(O)CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1	ZINC000592148222	551949766	/nfs/dbraw/zinc/94/97/66/551949766.db2.gz	WSUAAPSLWABQKY-HXUWFJFHSA-N	1	0	356.470	1.249	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2)C1	ZINC000592156624	551951596	/nfs/dbraw/zinc/95/15/96/551951596.db2.gz	ZVTMBFQYSYKQSF-DOTOQJQBSA-N	1	0	354.454	1.576	20	30		FDEDRO
COC(=O)[C@@H]1C[C@H](O)C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000592199893	551958134	/nfs/dbraw/zinc/95/81/34/551958134.db2.gz	VGCIHPXZBXLVMW-OCCSQVGLSA-N	1	0	365.817	1.396	20	30		FDEDRO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000592252385	551967891	/nfs/dbraw/zinc/96/78/91/551967891.db2.gz	DQIJGICYJHKDQP-ZDUSSCGKSA-N	1	0	360.462	1.698	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)c3cccn3C3CC[NH2+]CC3)CC2)c1	ZINC000592258876	551968887	/nfs/dbraw/zinc/96/88/87/551968887.db2.gz	YEFYBFVYNWSINO-UHFFFAOYSA-N	1	0	364.453	1.642	20	30		FDEDRO
COc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)Cc1ccc(CC#N)cc1	ZINC000592364018	551984631	/nfs/dbraw/zinc/98/46/31/551984631.db2.gz	PCMQUUQYKKGGKZ-KRWDZBQOSA-N	1	0	359.451	1.881	20	30		FDEDRO
CC1(C)C[NH2+]CCN1S(=O)(=O)c1cccc(Br)c1C#N	ZINC000592372203	551985623	/nfs/dbraw/zinc/98/56/23/551985623.db2.gz	ONEHQICUQLVCOA-UHFFFAOYSA-N	1	0	358.261	1.693	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@H](CC(C)C)N2CCOCC2)CC1	ZINC000592481744	551999962	/nfs/dbraw/zinc/99/99/62/551999962.db2.gz	PZSIETBGSNFFBX-SFHVURJKSA-N	1	0	352.523	1.683	20	30		FDEDRO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc2ccccc2n1CC#N	ZINC000592870398	552037230	/nfs/dbraw/zinc/03/72/30/552037230.db2.gz	COMIQIZVWPUKEJ-CQSZACIVSA-N	1	0	353.426	1.357	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(Cn3cnnc3)CC2)cc1	ZINC000593075543	552058688	/nfs/dbraw/zinc/05/86/88/552058688.db2.gz	GSGFFWNQMBOYJC-SFHVURJKSA-N	1	0	355.442	1.496	20	30		FDEDRO
COCC[N@@H+]1CCN(CC(=O)N(C)C2(C#N)CCCCC2)C(C)(C)C1	ZINC000593098995	552061902	/nfs/dbraw/zinc/06/19/02/552061902.db2.gz	GMGJPGAZPHCYBC-UHFFFAOYSA-N	1	0	350.507	1.714	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)Cc2ccc(Br)cc2C#N)CC1	ZINC000593110222	552063576	/nfs/dbraw/zinc/06/35/76/552063576.db2.gz	FZQUEICGXKERES-UHFFFAOYSA-N	1	0	361.243	1.967	20	30		FDEDRO
COCCOCCCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593343631	552092891	/nfs/dbraw/zinc/09/28/91/552092891.db2.gz	MGHUDZOYDZUYKZ-UHFFFAOYSA-N	1	0	374.485	1.875	20	30		FDEDRO
CN1CC[C@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1=O	ZINC000593356188	552095049	/nfs/dbraw/zinc/09/50/49/552095049.db2.gz	UFKYKEWOXWJZDK-KRWDZBQOSA-N	1	0	354.454	1.507	20	30		FDEDRO
C[C@@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)N1C(=O)CCC1=O	ZINC000593355867	552095188	/nfs/dbraw/zinc/09/51/88/552095188.db2.gz	QYGJCBLADBPZEV-AWEZNQCLSA-N	1	0	368.437	1.176	20	30		FDEDRO
C[NH+](C)CCN1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)CC1=O	ZINC000593383083	552099855	/nfs/dbraw/zinc/09/98/55/552099855.db2.gz	SOZXYRYPDJOCJT-QGZVFWFLSA-N	1	0	357.458	1.447	20	30		FDEDRO
C[C@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C[C@H](CO)O1	ZINC000593513384	552120189	/nfs/dbraw/zinc/12/01/89/552120189.db2.gz	IRRJQMBKUFPVCZ-HNAYVOBHSA-N	1	0	372.469	1.314	20	30		FDEDRO
C[C@H]1C(=O)NCCN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593512536	552120310	/nfs/dbraw/zinc/12/03/10/552120310.db2.gz	XIXCZRLQRWZQNJ-AWEZNQCLSA-N	1	0	355.442	1.053	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@H]3CC[C@@H](O)C3)CC2)c1	ZINC000593514655	552120558	/nfs/dbraw/zinc/12/05/58/552120558.db2.gz	YAKFAZMWYDWSDM-QFBILLFUSA-N	1	0	356.470	1.983	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000593530319	552124496	/nfs/dbraw/zinc/12/44/96/552124496.db2.gz	KBKHCUKAQJKKBJ-HUUCEWRRSA-N	1	0	363.439	1.250	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2ccsc2C#N)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000593567933	552137442	/nfs/dbraw/zinc/13/74/42/552137442.db2.gz	FOGJOKLVBMUAKI-KGLIPLIRSA-N	1	0	368.528	1.266	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CC[C@]2(CC[N@H+](C)C2)C1	ZINC000593596670	552147437	/nfs/dbraw/zinc/14/74/37/552147437.db2.gz	CTAGZXZWEYIXKZ-KRWDZBQOSA-N	1	0	363.439	1.061	20	30		FDEDRO
C[NH+](C)CCOc1cccc(NC(=O)C(=O)NCC2(C#N)CCCC2)c1	ZINC000593673087	552170675	/nfs/dbraw/zinc/17/06/75/552170675.db2.gz	VYVGTAJMCVYLRU-UHFFFAOYSA-N	1	0	358.442	1.766	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1	ZINC000593763311	552193488	/nfs/dbraw/zinc/19/34/88/552193488.db2.gz	HWEBRSLWJGOYLS-DJJJIMSYSA-N	1	0	368.416	2.476	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)ccc1F	ZINC000593766338	552194237	/nfs/dbraw/zinc/19/42/37/552194237.db2.gz	GNFHYNRQSUMTPC-JDFRZJQESA-N	1	0	374.416	1.381	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1F	ZINC000593766107	552194240	/nfs/dbraw/zinc/19/42/40/552194240.db2.gz	DFYRMPAIZYDWKW-GRDNDAEWSA-N	1	0	374.416	1.381	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2cnc(C#N)n2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1	ZINC000593772540	552195515	/nfs/dbraw/zinc/19/55/15/552195515.db2.gz	STJNQWBFZXNEHN-OWCLPIDISA-N	1	0	352.442	1.660	20	30		FDEDRO
Cc1nc(N)nc(C)c1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593885617	552217364	/nfs/dbraw/zinc/21/73/64/552217364.db2.gz	HGQUCNKKLYNYOM-UHFFFAOYSA-N	1	0	364.453	1.942	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1	ZINC000593919051	552225544	/nfs/dbraw/zinc/22/55/44/552225544.db2.gz	MVCWDXFGRSVGJE-JFIYKMOQSA-N	1	0	373.453	1.833	20	30		FDEDRO
C[NH+](C)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCC#N	ZINC000593965522	552233843	/nfs/dbraw/zinc/23/38/43/552233843.db2.gz	SFMBGVCYQACXPT-SFHVURJKSA-N	1	0	356.470	1.702	20	30		FDEDRO
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000594243121	552269805	/nfs/dbraw/zinc/26/98/05/552269805.db2.gz	ZXBJWTGSJUHNOM-KSZLIROESA-N	1	0	369.469	1.299	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000594325777	552288498	/nfs/dbraw/zinc/28/84/98/552288498.db2.gz	JVGZTGWKEHORAD-GOEBONIOSA-N	1	0	356.426	1.638	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)NC1CCN(C(=O)c2ccccc2F)CC1	ZINC000594429441	552308590	/nfs/dbraw/zinc/30/85/90/552308590.db2.gz	UGROSZGVRKBTKE-QGZVFWFLSA-N	1	0	360.433	1.958	20	30		FDEDRO
C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000594427493	552308933	/nfs/dbraw/zinc/30/89/33/552308933.db2.gz	INPCGVGNHCFDRW-BBRMVZONSA-N	1	0	366.487	1.525	20	30		FDEDRO
C[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)N1CCN(c2ccccc2)CC1	ZINC000594438802	552310368	/nfs/dbraw/zinc/31/03/68/552310368.db2.gz	LSNXYPKFGIESFT-MJGOQNOKSA-N	1	0	357.502	1.725	20	30		FDEDRO
C[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)N1CCN(c2ccccc2)CC1	ZINC000594438801	552310501	/nfs/dbraw/zinc/31/05/01/552310501.db2.gz	LSNXYPKFGIESFT-IEBWSBKVSA-N	1	0	357.502	1.725	20	30		FDEDRO
COc1cc(OC)cc(N2CC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)C2)c1	ZINC000594438607	552310555	/nfs/dbraw/zinc/31/05/55/552310555.db2.gz	KPNGYONTBAAQBN-KBXCAEBGSA-N	1	0	360.458	1.810	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1	ZINC000594439365	552310706	/nfs/dbraw/zinc/31/07/06/552310706.db2.gz	UZCTWORPKVQEAR-SFHVURJKSA-N	1	0	371.485	1.253	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)NCCNc1ccc(-c2ccccc2)nn1	ZINC000594440371	552310911	/nfs/dbraw/zinc/31/09/11/552310911.db2.gz	YLEQPCVEKWPQOA-MRXNPFEDSA-N	1	0	352.442	2.083	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1	ZINC000594446074	552312252	/nfs/dbraw/zinc/31/22/52/552312252.db2.gz	PCEAFXPSNQTPBX-ZWKOTPCHSA-N	1	0	362.449	1.726	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)C2=O)cc1	ZINC000594525955	552327490	/nfs/dbraw/zinc/32/74/90/552327490.db2.gz	YWEMYUUOSZHKAB-QWHCGFSZSA-N	1	0	369.347	1.242	20	30		FDEDRO
COC(=O)c1ccc(NCc2ccnc(OCC[NH+](C)C)c2)c(C#N)n1	ZINC000594569980	552334673	/nfs/dbraw/zinc/33/46/73/552334673.db2.gz	YDMVOQDVXFBMSV-UHFFFAOYSA-N	1	0	355.398	1.687	20	30		FDEDRO
N#Cc1ccc(CC[NH2+]C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)cc1	ZINC000594717960	552362933	/nfs/dbraw/zinc/36/29/33/552362933.db2.gz	IXCMZFXFBSDSKS-GOSISDBHSA-N	1	0	364.405	1.568	20	30		FDEDRO
C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)Cc1ccc(CC#N)cc1	ZINC000594803484	552390849	/nfs/dbraw/zinc/39/08/49/552390849.db2.gz	OVTYTFGMHNLZHF-INIZCTEOSA-N	1	0	366.531	1.444	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1	ZINC000594819511	552397869	/nfs/dbraw/zinc/39/78/69/552397869.db2.gz	JVSFDKNRNCDSRQ-SFHVURJKSA-N	1	0	371.462	1.603	20	30		FDEDRO
N#Cc1ccccc1S(=O)(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1	ZINC000594819353	552398002	/nfs/dbraw/zinc/39/80/02/552398002.db2.gz	IPKJSNFBDCMHAS-SFHVURJKSA-N	1	0	371.462	1.603	20	30		FDEDRO
CN(CCC[NH+](C)C)CCNS(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000594822258	552398989	/nfs/dbraw/zinc/39/89/89/552398989.db2.gz	ULSVZJKOYLGFMJ-UHFFFAOYSA-N	1	0	358.895	1.373	20	30		FDEDRO
COc1cc(C[NH2+]CCc2ccc(C#N)cc2)cc(OC)c1OCC(N)=O	ZINC000594955485	552426426	/nfs/dbraw/zinc/42/64/26/552426426.db2.gz	PMICXMNPSZQSNN-UHFFFAOYSA-N	1	0	369.421	1.772	20	30		FDEDRO
N#CC1(c2ccc(C[NH2+]CCNS(=O)(=O)c3cccnc3)cc2)CC1	ZINC000594956815	552426933	/nfs/dbraw/zinc/42/69/33/552426933.db2.gz	OBZOXEOUDDSQRS-UHFFFAOYSA-N	1	0	356.451	1.705	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@@]2(CO)COCCN2Cc2ccccc2)cc1	ZINC000594990228	552433331	/nfs/dbraw/zinc/43/33/31/552433331.db2.gz	ONKGFCJXDPECPY-OAQYLSRUSA-N	1	0	351.450	1.911	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000595234833	552500641	/nfs/dbraw/zinc/50/06/41/552500641.db2.gz	GFSYKCUYGBAZGS-OAHLLOKOSA-N	1	0	374.441	1.075	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000595237010	552501556	/nfs/dbraw/zinc/50/15/56/552501556.db2.gz	VBKXXNRKKFATBC-MRXNPFEDSA-N	1	0	358.442	1.374	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1C#N	ZINC000595242192	552503512	/nfs/dbraw/zinc/50/35/12/552503512.db2.gz	JCBKRRQYSUPVDV-LSDHHAIUSA-N	1	0	357.414	1.121	20	30		FDEDRO
C[C@H]([NH3+])[C@H](C)NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595273331	552509569	/nfs/dbraw/zinc/50/95/69/552509569.db2.gz	KRYSNLQYGUMJQM-KBPBESRZSA-N	1	0	367.457	1.516	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1	ZINC000595275371	552509999	/nfs/dbraw/zinc/50/99/99/552509999.db2.gz	LPKNPNGTLSGJKA-CVEARBPZSA-N	1	0	366.425	1.622	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)c1cccc(C#N)c1	ZINC000595278125	552510765	/nfs/dbraw/zinc/51/07/65/552510765.db2.gz	CUGLJGSMUXEEMJ-HNAYVOBHSA-N	1	0	368.481	1.974	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CCCCC1	ZINC000595278639	552510820	/nfs/dbraw/zinc/51/08/20/552510820.db2.gz	QXJPETYSVSDOOR-KRWDZBQOSA-N	1	0	360.502	1.815	20	30		FDEDRO
N#Cc1cc(F)ccc1CS(=O)(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC000595384010	552543887	/nfs/dbraw/zinc/54/38/87/552543887.db2.gz	HHHNQYCNDZDSGY-KRWDZBQOSA-N	1	0	367.446	1.058	20	30		FDEDRO
C[NH+](C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)c1cncc(C#N)c1	ZINC000595404057	552550989	/nfs/dbraw/zinc/55/09/89/552550989.db2.gz	QZJXOVHABSWWDL-OAHLLOKOSA-N	1	0	364.471	1.217	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(S(=O)(=O)Cc2cccc(C#N)c2)CCO1	ZINC000595403936	552551234	/nfs/dbraw/zinc/55/12/34/552551234.db2.gz	KEKUQXFHGXIIHT-KRWDZBQOSA-N	1	0	351.472	1.431	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1C#N	ZINC000595403383	552551245	/nfs/dbraw/zinc/55/12/45/552551245.db2.gz	DKXKDMGEFLMOTG-OAHLLOKOSA-N	1	0	351.472	1.598	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2)CCO1	ZINC000595403391	552551270	/nfs/dbraw/zinc/55/12/70/552551270.db2.gz	DPFAUPDCAUELEC-KRWDZBQOSA-N	1	0	351.472	1.431	20	30		FDEDRO
C[NH+](C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)c1cccnc1C#N	ZINC000595403557	552551306	/nfs/dbraw/zinc/55/13/06/552551306.db2.gz	DBSFIHLVLQLFOW-CQSZACIVSA-N	1	0	364.471	1.217	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(S(=O)(=O)Cc2cc(C#N)ccc2F)CCO1	ZINC000595405002	552551517	/nfs/dbraw/zinc/55/15/17/552551517.db2.gz	QUYZPHPHKONVFL-INIZCTEOSA-N	1	0	369.462	1.570	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N1CCC(CO)([NH2+]CC(C)C)CC1	ZINC000595513609	552576275	/nfs/dbraw/zinc/57/62/75/552576275.db2.gz	XNPUUHMSAFPQQP-SFHVURJKSA-N	1	0	359.470	1.845	20	30		FDEDRO
CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000595632449	552595482	/nfs/dbraw/zinc/59/54/82/552595482.db2.gz	OGOIAVPFUNMMCN-CUDHKJQZSA-N	1	0	362.470	1.648	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000595665779	552600232	/nfs/dbraw/zinc/60/02/32/552600232.db2.gz	XLXXVDXDJSTTNP-CVEARBPZSA-N	1	0	357.458	1.989	20	30		FDEDRO
C[C@H](O)[C@H]1CCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000595765874	552612927	/nfs/dbraw/zinc/61/29/27/552612927.db2.gz	KQMKQEBTVGOFBB-IPELMVKDSA-N	1	0	374.460	1.380	20	30		FDEDRO
C[C@](C#N)(NC(=O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1)C1CC1	ZINC000595774779	552613766	/nfs/dbraw/zinc/61/37/66/552613766.db2.gz	RZQIDELGKGCFDH-LJQANCHMSA-N	1	0	352.438	1.962	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@H](CN4CCCC4=O)C3)C2=O)cc1	ZINC000595828882	552620983	/nfs/dbraw/zinc/62/09/83/552620983.db2.gz	MFZNGMGHPMWMQP-WMZOPIPTSA-N	1	0	352.438	1.608	20	30		FDEDRO
N#CCNC(=O)CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2	ZINC000595832842	552621625	/nfs/dbraw/zinc/62/16/25/552621625.db2.gz	RAUIEMORNQFESL-QGZVFWFLSA-N	1	0	369.469	1.228	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)CC1	ZINC000595907246	552631805	/nfs/dbraw/zinc/63/18/05/552631805.db2.gz	AABUCNNTRMBFOW-NRSPTQNISA-N	1	0	374.529	1.571	20	30		FDEDRO
N#CC1(CC(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)CCCCC1	ZINC000595920796	552633574	/nfs/dbraw/zinc/63/35/74/552633574.db2.gz	WPMJAXNSAFHUFY-UHFFFAOYSA-N	1	0	364.471	1.726	20	30		FDEDRO
N#Cc1sccc1N1CCN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC1	ZINC000595938748	552635903	/nfs/dbraw/zinc/63/59/03/552635903.db2.gz	RMAQWJAILQPTEN-UHFFFAOYSA-N	1	0	371.470	1.098	20	30		FDEDRO
N#Cc1cc2cccnc2nc1N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000596112871	552656381	/nfs/dbraw/zinc/65/63/81/552656381.db2.gz	WGNYGHZJYFBZAC-UHFFFAOYSA-N	1	0	350.426	1.246	20	30		FDEDRO
N#Cc1ccc(CCNC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1	ZINC000596669046	552699324	/nfs/dbraw/zinc/69/93/24/552699324.db2.gz	FTGNBYOZDUNGQT-LJQANCHMSA-N	1	0	356.470	1.997	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)NCCc3ccc(C#N)cc3)C2)CC1	ZINC000596674648	552700084	/nfs/dbraw/zinc/70/00/84/552700084.db2.gz	SZHCJCMPLQSXRC-LJQANCHMSA-N	1	0	355.486	1.522	20	30		FDEDRO
C=CCCSCCNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1	ZINC000596715361	552704263	/nfs/dbraw/zinc/70/42/63/552704263.db2.gz	DWMRJAUJMGXRJP-UHFFFAOYSA-N	1	0	354.564	1.965	20	30		FDEDRO
C=CCCSCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000596717349	552704632	/nfs/dbraw/zinc/70/46/32/552704632.db2.gz	MHJAFSLKFOPOJK-HNNXBMFYSA-N	1	0	354.520	1.244	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CCC(=O)N(c3cccc(F)c3)C2)CC1	ZINC000597167783	552756832	/nfs/dbraw/zinc/75/68/32/552756832.db2.gz	ZCTQQCKZFPUNOO-CQSZACIVSA-N	1	0	358.417	1.673	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1	ZINC000597218591	552762103	/nfs/dbraw/zinc/76/21/03/552762103.db2.gz	XYOIOQUYZOKAEW-HRCADAONSA-N	1	0	355.548	1.895	20	30		FDEDRO
N#Cc1c(F)cc(C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1F	ZINC000597387513	552782853	/nfs/dbraw/zinc/78/28/53/552782853.db2.gz	WLHLMPVYZRSVHP-MRXNPFEDSA-N	1	0	371.387	1.985	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H]1CC[N@@H+](CCC)C1	ZINC000597402101	552784898	/nfs/dbraw/zinc/78/48/98/552784898.db2.gz	PJKWHNFBEBCYNW-GOSISDBHSA-N	1	0	354.454	1.673	20	30		FDEDRO
N#Cc1c(F)cc(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)cc1F	ZINC000597464563	552792620	/nfs/dbraw/zinc/79/26/20/552792620.db2.gz	ASCYGKNNRAOGIQ-UHFFFAOYSA-N	1	0	365.380	1.136	20	30		FDEDRO
COC(=O)CCN1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)[C@@H](C)C1	ZINC000597478423	552794088	/nfs/dbraw/zinc/79/40/88/552794088.db2.gz	REZDTRYFAHXGJE-NSHDSACASA-N	1	0	351.353	1.546	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@]1(NC(=O)[C@H](C)C#N)CC[N@H+](Cc2ccccc2)C1	ZINC000597621824	552813071	/nfs/dbraw/zinc/81/30/71/552813071.db2.gz	NBQAMLTZUVZGPN-JXXFODFXSA-N	1	0	367.453	1.183	20	30		FDEDRO
CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc(F)c(C#N)c(F)c2)CC1	ZINC000597756124	552829315	/nfs/dbraw/zinc/82/93/15/552829315.db2.gz	VOSIIEGCRPTBHB-UHFFFAOYSA-N	1	0	350.413	1.982	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)Cc3ccc(=O)[nH]c3)CC2)c1	ZINC000597825781	552837038	/nfs/dbraw/zinc/83/70/38/552837038.db2.gz	XNFIAOTVJYIOQB-UHFFFAOYSA-N	1	0	350.422	1.982	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000597926378	552846487	/nfs/dbraw/zinc/84/64/87/552846487.db2.gz	ZUHKQTLGDOYKDG-HNNXBMFYSA-N	1	0	352.442	1.929	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1	ZINC000598453076	552897180	/nfs/dbraw/zinc/89/71/80/552897180.db2.gz	ODJLVDNDWBUERH-UXHICEINSA-N	1	0	368.481	1.585	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC000598454155	552897488	/nfs/dbraw/zinc/89/74/88/552897488.db2.gz	VPNNVFVSAHUGFI-INIZCTEOSA-N	1	0	359.426	1.003	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[NH2+][C@H](C(C)C)C1	ZINC000598572808	552910493	/nfs/dbraw/zinc/91/04/93/552910493.db2.gz	LRPAIDJMMDAUNH-KRWDZBQOSA-N	1	0	354.458	1.607	20	30		FDEDRO
C[C@H]1C[N@H+](C[C@H](O)CC(C)(C)C#N)CCN1C[C@H](O)CC(C)(C)C#N	ZINC000598594558	552912812	/nfs/dbraw/zinc/91/28/12/552912812.db2.gz	ATINAKMGPVOVEF-GVDBMIGSSA-N	1	0	350.507	1.594	20	30		FDEDRO
CCc1cnc(CN(C(C)=O)[C@@H]2CC[N@H+](C[C@H](O)CC(C)(C)C#N)C2)o1	ZINC000598596522	552913221	/nfs/dbraw/zinc/91/32/21/552913221.db2.gz	SIGSSKWNWTZSPV-HZPDHXFCSA-N	1	0	362.474	1.961	20	30		FDEDRO
C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)C[C@H](O)CC(C)(C)C#N	ZINC000598619531	552916441	/nfs/dbraw/zinc/91/64/41/552916441.db2.gz	DQEGSINNFLVXOK-GFCCVEGCSA-N	1	0	373.450	1.084	20	30		FDEDRO
CCOCCn1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cn1	ZINC000598893990	552940201	/nfs/dbraw/zinc/94/02/01/552940201.db2.gz	GUSHCMQXGXTTCB-UHFFFAOYSA-N	1	0	369.469	1.995	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)CCOCC1	ZINC000599257363	553005296	/nfs/dbraw/zinc/00/52/96/553005296.db2.gz	JQKQCUXCHKZANE-GOSISDBHSA-N	1	0	357.454	1.821	20	30		FDEDRO
COC(=O)CC[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)C[C@@H]1CCCO1	ZINC000599294471	553018199	/nfs/dbraw/zinc/01/81/99/553018199.db2.gz	DVKHNQHGJNRUSI-HOTGVXAUSA-N	1	0	354.447	1.102	20	30		FDEDRO
C[C@@H](c1cccnc1)N1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1	ZINC000599299880	553019667	/nfs/dbraw/zinc/01/96/67/553019667.db2.gz	PDFXZMPAJOVNIF-PKOBYXMFSA-N	1	0	358.486	1.832	20	30		FDEDRO
C[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)[C@H]1CCN(c2ccccc2)C1=O	ZINC000599325130	553027649	/nfs/dbraw/zinc/02/76/49/553027649.db2.gz	ACCRMNDHVGVTKK-ROUUACIJSA-N	1	0	357.454	1.795	20	30		FDEDRO
CS(=O)(=O)C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1ccccc1	ZINC000599353131	553035232	/nfs/dbraw/zinc/03/52/32/553035232.db2.gz	FTRSWIUOOOWLQT-DLBZAZTESA-N	1	0	366.483	1.433	20	30		FDEDRO
Cc1noc(C)c1CO[C@@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000599359977	553036055	/nfs/dbraw/zinc/03/60/55/553036055.db2.gz	IAGFWPFTHYGNCA-DLBZAZTESA-N	1	0	363.458	1.954	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH+]2CCC(c3nnc4n3CCCC4)CC2)CCOCC1	ZINC000599371514	553038418	/nfs/dbraw/zinc/03/84/18/553038418.db2.gz	OXMBWXRSWCXVMD-KRWDZBQOSA-N	1	0	373.501	1.865	20	30		FDEDRO
COC(=O)CC1([NH2+]Cc2ccc(C)c(C#N)c2)CCS(=O)(=O)CC1	ZINC000599381922	553041100	/nfs/dbraw/zinc/04/11/00/553041100.db2.gz	GDMMPBATSBWZGF-UHFFFAOYSA-N	1	0	350.440	1.467	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1	ZINC000599386341	553042410	/nfs/dbraw/zinc/04/24/10/553042410.db2.gz	ATYUMDFIEKXXGV-MRXNPFEDSA-N	1	0	371.397	1.740	20	30		FDEDRO
CCOC(=O)[C@@]1(C(C)C)CC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000599387406	553042834	/nfs/dbraw/zinc/04/28/34/553042834.db2.gz	LJWDBNQBKPRBNC-LPHOPBHVSA-N	1	0	352.475	1.969	20	30		FDEDRO
CC(=O)NCC[N@@H+](Cc1ccsc1)C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599400880	553046815	/nfs/dbraw/zinc/04/68/15/553046815.db2.gz	GUVDSXWMVGUBTE-KRWDZBQOSA-N	1	0	365.499	1.758	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C1CC1)C1(CO)CCOCC1	ZINC000599460279	553063523	/nfs/dbraw/zinc/06/35/23/553063523.db2.gz	VEXXAXHKSJIGAP-HKUYNNGSSA-N	1	0	360.454	1.455	20	30		FDEDRO
COC(=O)[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2C#N)[C@H]2CCC[C@H]21	ZINC000599644796	553111740	/nfs/dbraw/zinc/11/17/40/553111740.db2.gz	CBVIGMGYNBTRDF-FJIDUMEYSA-N	1	0	358.438	1.962	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)c1	ZINC000599891897	553169133	/nfs/dbraw/zinc/16/91/33/553169133.db2.gz	SNUSMIAYHHXVOQ-ZDUSSCGKSA-N	1	0	364.352	1.499	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2	ZINC000599891833	553169208	/nfs/dbraw/zinc/16/92/08/553169208.db2.gz	RFUWEIXDIUISIF-INIZCTEOSA-N	1	0	356.426	1.685	20	30		FDEDRO
C[C@H]1CC[C@H](NC(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)C[NH2+]1	ZINC000599896221	553170216	/nfs/dbraw/zinc/17/02/16/553170216.db2.gz	NPRIMTPLWUQEFC-FZMZJTMJSA-N	1	0	369.450	1.877	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1	ZINC000599900475	553171220	/nfs/dbraw/zinc/17/12/20/553171220.db2.gz	RTIYCMFEAGPHJJ-TZMCWYRMSA-N	1	0	368.359	1.677	20	30		FDEDRO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@H]1COCC[NH2+]1	ZINC000599900728	553171347	/nfs/dbraw/zinc/17/13/47/553171347.db2.gz	ZEOBIGVLYXLJKK-STQMWFEESA-N	1	0	362.455	1.124	20	30		FDEDRO
CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000599901198	553171727	/nfs/dbraw/zinc/17/17/27/553171727.db2.gz	XUWBJZCXYKQHNF-QWHCGFSZSA-N	1	0	365.231	1.516	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)NCC3([NH3+])CCOCC3)CC2)cc1	ZINC000599931135	553176004	/nfs/dbraw/zinc/17/60/04/553176004.db2.gz	WDJZRCAVVTXLPB-UHFFFAOYSA-N	1	0	358.442	1.619	20	30		FDEDRO
CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCC(=O)NCC#N	ZINC000599935021	553177284	/nfs/dbraw/zinc/17/72/84/553177284.db2.gz	VDQWOYVFSYPPGB-QZTJIDSGSA-N	1	0	356.470	1.537	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c(F)cc1C#N	ZINC000599954231	553184447	/nfs/dbraw/zinc/18/44/47/553184447.db2.gz	BWJVGTXKYQZSLO-ZUZCIYMTSA-N	1	0	360.389	1.243	20	30		FDEDRO
C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C[NH2+]1	ZINC000599962391	553187053	/nfs/dbraw/zinc/18/70/53/553187053.db2.gz	OABJEWBKAQRNTK-GDBMZVCRSA-N	1	0	370.453	1.185	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)CC2)c(F)cc1C#N	ZINC000599984477	553193373	/nfs/dbraw/zinc/19/33/73/553193373.db2.gz	WLIDFFDTQOMGNN-ZDUSSCGKSA-N	1	0	362.405	1.587	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c(F)cc1C#N	ZINC000599984890	553193449	/nfs/dbraw/zinc/19/34/49/553193449.db2.gz	KGKAPFKETPCUFO-LJQANCHMSA-N	1	0	374.416	1.589	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(F)cc1C#N	ZINC000599993511	553195784	/nfs/dbraw/zinc/19/57/84/553195784.db2.gz	VHNVHXNTYIQXBJ-GDBMZVCRSA-N	1	0	374.416	1.778	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+](C)C2)c(F)cc1C#N	ZINC000600032568	553205389	/nfs/dbraw/zinc/20/53/89/553205389.db2.gz	VVYFFCIQLYRIRB-LBPRGKRZSA-N	1	0	362.405	1.493	20	30		FDEDRO
CN(C)C(=O)c1cccc(C[NH2+]C[C@@H](O)COc2ccccc2C#N)c1	ZINC000600719855	553306820	/nfs/dbraw/zinc/30/68/20/553306820.db2.gz	VFTIXUHFRFAATL-GOSISDBHSA-N	1	0	353.422	1.790	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)CCOCC1	ZINC000600726584	553307859	/nfs/dbraw/zinc/30/78/59/553307859.db2.gz	MUQRILJQAGACIG-HOTGVXAUSA-N	1	0	372.469	1.025	20	30		FDEDRO
CCc1cc(N2CCC[C@H]([NH2+]C[C@H](O)CC3(C#N)CCOCC3)C2)ncn1	ZINC000600727686	553307929	/nfs/dbraw/zinc/30/79/29/553307929.db2.gz	QDEWROQTTWIQRE-ZWKOTPCHSA-N	1	0	373.501	1.669	20	30		FDEDRO
Cc1ccc(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)c(N2CCOCC2)c1	ZINC000600730292	553308547	/nfs/dbraw/zinc/30/85/47/553308547.db2.gz	LDPLDJUBOKSIDC-LJQANCHMSA-N	1	0	373.497	1.993	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)CCOCC1	ZINC000600749827	553310991	/nfs/dbraw/zinc/31/09/91/553310991.db2.gz	RZPBJIUANVNWBI-ULQDDVLXSA-N	1	0	352.475	1.358	20	30		FDEDRO
CN1C(=O)c2ccccc2[C@H]1C[NH2+]C[C@H](O)COc1ccccc1C#N	ZINC000600756777	553311871	/nfs/dbraw/zinc/31/18/71/553311871.db2.gz	PLQVXYHKNLMTGH-MAUKXSAKSA-N	1	0	351.406	1.714	20	30		FDEDRO
CN1C(=O)c2ccccc2[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1C#N	ZINC000600756779	553312037	/nfs/dbraw/zinc/31/20/37/553312037.db2.gz	PLQVXYHKNLMTGH-QAPCUYQASA-N	1	0	351.406	1.714	20	30		FDEDRO
C[NH+](C)CCCS(=O)(=O)N1CCN([C@H](C#N)c2ccccc2)CC1	ZINC000601292430	553370015	/nfs/dbraw/zinc/37/00/15/553370015.db2.gz	NBOCPZHPHFKFDO-QGZVFWFLSA-N	1	0	350.488	1.150	20	30		FDEDRO
C[N@@H+]1CCN(CCNS(=O)(=O)c2ccccc2CC#N)CC1(C)C	ZINC000601409282	553397513	/nfs/dbraw/zinc/39/75/13/553397513.db2.gz	MBVJRARCJRMSCM-UHFFFAOYSA-N	1	0	350.488	1.057	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N1CCC([N@@H+]2CCCOCC2)CC1	ZINC000601439716	553406187	/nfs/dbraw/zinc/40/61/87/553406187.db2.gz	JKFPTVLFNCFDDM-UHFFFAOYSA-N	1	0	363.483	1.742	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CCNC(=O)N2CCN(CCC#N)CC2)cc1	ZINC000601571761	553437550	/nfs/dbraw/zinc/43/75/50/553437550.db2.gz	NWFXSKAERRJYBI-UHFFFAOYSA-N	1	0	373.501	1.410	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1	ZINC000601575398	553438508	/nfs/dbraw/zinc/43/85/08/553438508.db2.gz	HXGSSNVXHMNCEF-MGPQQGTHSA-N	1	0	360.483	1.930	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000601576956	553438815	/nfs/dbraw/zinc/43/88/15/553438815.db2.gz	ZIXNMTFOLFTFBP-MCIONIFRSA-N	1	0	358.467	1.840	20	30		FDEDRO
C[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)n1cnc(C#N)n1	ZINC000601704636	553459794	/nfs/dbraw/zinc/45/97/94/553459794.db2.gz	IIEXUSITERGFNQ-BFYDXBDKSA-N	1	0	352.442	1.595	20	30		FDEDRO
C[C@](O)(C[C@H](O)C[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CC1	ZINC000601962766	553496649	/nfs/dbraw/zinc/49/66/49/553496649.db2.gz	APYHHFJPVLMDLW-BJLQDIEVSA-N	1	0	357.454	1.161	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H]3CCCS(=O)(=O)CC3)C2=O)cc1	ZINC000602014178	553501746	/nfs/dbraw/zinc/50/17/46/553501746.db2.gz	CCSQNLYCAWDTCP-DOTOQJQBSA-N	1	0	361.467	1.611	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1	ZINC000602031551	553504649	/nfs/dbraw/zinc/50/46/49/553504649.db2.gz	VVPWXTHATRYORN-UHFFFAOYSA-N	1	0	351.476	1.124	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNC(=O)C(=O)Nc2cc(F)cc(C#N)c2)CCCO1	ZINC000602035993	553505720	/nfs/dbraw/zinc/50/57/20/553505720.db2.gz	CKGRQHPUWGATTL-ZDUSSCGKSA-N	1	0	362.405	1.253	20	30		FDEDRO
COCCNS(=O)(=O)c1cccc(C[NH2+]C2CCC(C#N)CC2)c1	ZINC000602553992	553605092	/nfs/dbraw/zinc/60/50/92/553605092.db2.gz	LWVYIWMNMMIETC-UHFFFAOYSA-N	1	0	351.472	1.783	20	30		FDEDRO
Cc1cc(N2CCC[C@@H](N3CC[NH+](C[C@@H](C)CCC#N)CC3)C2=O)n(C)n1	ZINC000602598592	553610126	/nfs/dbraw/zinc/61/01/26/553610126.db2.gz	XIJXVQFXARTVTH-FUHWJXTLSA-N	1	0	372.517	1.781	20	30		FDEDRO
COc1ccc(C[NH+]2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)cc1OCCCC#N	ZINC000602732940	553629043	/nfs/dbraw/zinc/62/90/43/553629043.db2.gz	VWDMUVGXCZZFJO-PMACEKPBSA-N	1	0	371.437	1.862	20	30		FDEDRO
N#Cc1ccc(NC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)cc1	ZINC000602767680	553633692	/nfs/dbraw/zinc/63/36/92/553633692.db2.gz	RVVIIDSYCBVSCA-SFHVURJKSA-N	1	0	357.458	1.476	20	30		FDEDRO
COc1cccc(OC)c1OC[C@H](O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1	ZINC000602856528	553651684	/nfs/dbraw/zinc/65/16/84/553651684.db2.gz	MYBLCJWWGNBONJ-HRCADAONSA-N	1	0	363.458	1.362	20	30		FDEDRO
N#Cc1ccccc1NC1CC[NH+](C[C@H](O)COC[C@@H]2CCCO2)CC1	ZINC000602898354	553664190	/nfs/dbraw/zinc/66/41/90/553664190.db2.gz	RDQWKJOCFBEBBA-OALUTQOASA-N	1	0	359.470	1.991	20	30		FDEDRO
COC(=O)CCN1CC[C@H]([NH+]2CCC(Nc3ccccc3C#N)CC2)C1=O	ZINC000602901916	553664917	/nfs/dbraw/zinc/66/49/17/553664917.db2.gz	RPMXXOCXZPGXBN-SFHVURJKSA-N	1	0	370.453	1.599	20	30		FDEDRO
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCN(C)C[C@@H]1CO	ZINC000602905362	553665893	/nfs/dbraw/zinc/66/58/93/553665893.db2.gz	NLOCRKXOKQSBNV-HUUCEWRRSA-N	1	0	362.499	1.628	20	30		FDEDRO
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@@H](O)C[C@@]1(C)CO	ZINC000602907958	553666492	/nfs/dbraw/zinc/66/64/92/553666492.db2.gz	NXWPXNMAQZPIFR-GLJUWKHASA-N	1	0	363.483	1.837	20	30		FDEDRO
Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2CCOc2cccc(C#N)c2)cn1	ZINC000602939965	553674702	/nfs/dbraw/zinc/67/47/02/553674702.db2.gz	CTZWLXLGURCIOW-QGZVFWFLSA-N	1	0	353.426	1.565	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3CCC(CCF)CC3)CC2)o1	ZINC000602949332	553677498	/nfs/dbraw/zinc/67/74/98/553677498.db2.gz	YIOFLDDMKLSFKV-UHFFFAOYSA-N	1	0	363.437	1.575	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C[C@H](C)N1CC#N	ZINC000603091846	553707399	/nfs/dbraw/zinc/70/73/99/553707399.db2.gz	OQDWLTKBLLFACA-HLLBOEOZSA-N	1	0	350.532	1.649	20	30		FDEDRO
C[NH+]1CCN(Cc2cn(CC(=O)Nc3ccc(C#N)c(Cl)c3)nn2)CC1	ZINC000603171318	553721079	/nfs/dbraw/zinc/72/10/79/553721079.db2.gz	NMLXWVMMYQKIHM-UHFFFAOYSA-N	1	0	373.848	1.189	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](n3cc(C[C@@H]4CCC[NH2+]C4)nn3)C2=O)cc1	ZINC000603190205	553727276	/nfs/dbraw/zinc/72/72/76/553727276.db2.gz	DRAPTGCDIBCAJT-MAUKXSAKSA-N	1	0	350.426	1.670	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](n3cc(C[C@H]4CCC[NH2+]C4)nn3)C2=O)cc1	ZINC000603190208	553727278	/nfs/dbraw/zinc/72/72/78/553727278.db2.gz	DRAPTGCDIBCAJT-QAPCUYQASA-N	1	0	350.426	1.670	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH+]3CCCCC3)CC2)c(CS(N)(=O)=O)c1	ZINC000603277298	553751694	/nfs/dbraw/zinc/75/16/94/553751694.db2.gz	AHBUASSXURCXNY-UHFFFAOYSA-N	1	0	362.499	1.801	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(c3c(C#N)cnn3-c3ccccc3)CC2)C1	ZINC000603292046	553756813	/nfs/dbraw/zinc/75/68/13/553756813.db2.gz	HBKOHOWACLSGAB-IBGZPJMESA-N	1	0	350.470	1.960	20	30		FDEDRO
N#Cc1cnc2ccccc2c1N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000603423887	553784924	/nfs/dbraw/zinc/78/49/24/553784924.db2.gz	QKVABWUFRVLUSE-GOSISDBHSA-N	1	0	365.481	1.737	20	30		FDEDRO
CN(CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C(=O)C1CC1	ZINC000603687310	553810311	/nfs/dbraw/zinc/81/03/11/553810311.db2.gz	NCPXNUUPIHJUGE-UHFFFAOYSA-N	1	0	354.454	1.461	20	30		FDEDRO
Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2C[C@H]3C[NH2+]C[C@H]3C2)c1C#N	ZINC000603909593	553829282	/nfs/dbraw/zinc/82/92/82/553829282.db2.gz	DFOPLMPXJSXCJB-IYBDPMFKSA-N	1	0	367.453	1.708	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000603919469	553830172	/nfs/dbraw/zinc/83/01/72/553830172.db2.gz	JQYSOYDPIVANDR-SJORKVTESA-N	1	0	361.467	1.216	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1	ZINC000604323611	553862400	/nfs/dbraw/zinc/86/24/00/553862400.db2.gz	ZFOMQPCVMGIHKR-QZTJIDSGSA-N	1	0	351.454	1.711	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(CC(=O)NC2CCCC2)CC1	ZINC000604415939	553875567	/nfs/dbraw/zinc/87/55/67/553875567.db2.gz	NGAILPJHTVFCOT-AWEZNQCLSA-N	1	0	364.490	1.548	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1	ZINC000604573612	553890778	/nfs/dbraw/zinc/89/07/78/553890778.db2.gz	YCMWJBQBUHPNSJ-KRWDZBQOSA-N	1	0	373.453	1.659	20	30		FDEDRO
C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000609083827	554336408	/nfs/dbraw/zinc/33/64/08/554336408.db2.gz	KETZMKTVSZFGJF-UHFFFAOYSA-N	1	0	354.357	1.555	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1	ZINC000609112599	554338033	/nfs/dbraw/zinc/33/80/33/554338033.db2.gz	GPJHWBMOAJQCIX-GOSISDBHSA-N	1	0	370.453	1.001	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)[C@@H]1C[NH+]2CCC1CC2	ZINC000609532488	554388349	/nfs/dbraw/zinc/38/83/49/554388349.db2.gz	DLLFOBUTWHJGPI-GOSISDBHSA-N	1	0	366.469	1.703	20	30		FDEDRO
CN(C(=O)CNc1ccc(C#N)cc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000609559746	554393412	/nfs/dbraw/zinc/39/34/12/554393412.db2.gz	NTKVKDYWDUYBAK-IBGZPJMESA-N	1	0	355.486	1.597	20	30		FDEDRO
C[C@H]([NH2+]C[C@H]1CCCN1c1cccnn1)C(=O)Nc1cccc(C#N)c1	ZINC000609574807	554395919	/nfs/dbraw/zinc/39/59/19/554395919.db2.gz	ZPIAVWQEFMFSST-WMLDXEAASA-N	1	0	350.426	1.934	20	30		FDEDRO
C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000609574512	554395950	/nfs/dbraw/zinc/39/59/50/554395950.db2.gz	JFXOZUSMLVIYHX-KGLIPLIRSA-N	1	0	366.487	1.348	20	30		FDEDRO
C[N@@H+]1CCCN(CCCNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC1	ZINC000609623903	554404128	/nfs/dbraw/zinc/40/41/28/554404128.db2.gz	GIIACKXZOFPARG-HXUWFJFHSA-N	1	0	369.513	1.671	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NC(=O)NC2CCN(CC#N)CC2)[C@H](C)C1	ZINC000609686063	554411822	/nfs/dbraw/zinc/41/18/22/554411822.db2.gz	GZQNJAVOKAHRPT-SJLPKXTDSA-N	1	0	365.522	1.411	20	30		FDEDRO
CC(C)(CO)[NH+]1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000609845869	554428351	/nfs/dbraw/zinc/42/83/51/554428351.db2.gz	MQJVBHSSWJYLGC-UHFFFAOYSA-N	1	0	350.850	1.539	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[NH+](C(C)(C)CO)CC1	ZINC000609845853	554428444	/nfs/dbraw/zinc/42/84/44/554428444.db2.gz	JIPFFYPJLRXBET-ZDUSSCGKSA-N	1	0	364.877	1.927	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1	ZINC000610002543	554447914	/nfs/dbraw/zinc/44/79/14/554447914.db2.gz	QURVPVQRDYSTOV-ROUUACIJSA-N	1	0	362.518	1.904	20	30		FDEDRO
CCO[C@@H]1C[C@H](O)C12CC[NH+](C[C@@H](O)COc1ccc(CC#N)cc1)CC2	ZINC000610162778	554470349	/nfs/dbraw/zinc/47/03/49/554470349.db2.gz	YFYRLBDMGOUNPL-YZGWKJHDSA-N	1	0	374.481	1.744	20	30		FDEDRO
C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000610375551	554497385	/nfs/dbraw/zinc/49/73/85/554497385.db2.gz	XJZWGFWPDXTGMK-LBPRGKRZSA-N	1	0	354.332	1.726	20	30		FDEDRO
Cn1cc(C#N)c(=NC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)[nH]1	ZINC000610563133	554529330	/nfs/dbraw/zinc/52/93/30/554529330.db2.gz	SVTBNDJPFLLJDC-UHFFFAOYSA-N	1	0	356.430	1.596	20	30		FDEDRO
COC1CC[NH+](CCNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000610572595	554531792	/nfs/dbraw/zinc/53/17/92/554531792.db2.gz	AJBFERKLICYAEQ-UHFFFAOYSA-N	1	0	364.833	1.377	20	30		FDEDRO
N#CCN1CCC(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1	ZINC000610860233	554571913	/nfs/dbraw/zinc/57/19/13/554571913.db2.gz	BEIZZTONQFPKOM-ROUUACIJSA-N	1	0	363.506	1.041	20	30		FDEDRO
N#CCCN1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1	ZINC000611174751	554612354	/nfs/dbraw/zinc/61/23/54/554612354.db2.gz	PTRKRXITXNWVLJ-UHFFFAOYSA-N	1	0	369.513	1.430	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1	ZINC000611209093	554615430	/nfs/dbraw/zinc/61/54/30/554615430.db2.gz	DUHSYTKCCSCQIM-RNKNFESXSA-N	1	0	360.502	1.905	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(OCCCO)CC3)C2=O)cc1	ZINC000611516403	554640338	/nfs/dbraw/zinc/64/03/38/554640338.db2.gz	SBUHUABBHRMJFX-LJQANCHMSA-N	1	0	357.454	1.917	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)CC1	ZINC000613245626	554903805	/nfs/dbraw/zinc/90/38/05/554903805.db2.gz	IVJACBHEHGUKPR-KRWDZBQOSA-N	1	0	359.474	1.328	20	30		FDEDRO
C[NH+](C)CCn1c2cc(NC(=O)c3cc(O)cc(C#N)c3)ccc2oc1=O	ZINC000614364927	555043087	/nfs/dbraw/zinc/04/30/87/555043087.db2.gz	GOTYZZWQHBSJNP-UHFFFAOYSA-N	1	0	366.377	1.986	20	30		FDEDRO
C=CC(C)(C)C(=O)N(C)CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O	ZINC000614861657	555129070	/nfs/dbraw/zinc/12/90/70/555129070.db2.gz	SCNIPRYDHXCZKK-UHFFFAOYSA-N	1	0	357.454	1.885	20	30		FDEDRO
N#C[C@]1(F)CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1	ZINC000615632996	555223063	/nfs/dbraw/zinc/22/30/63/555223063.db2.gz	QFXXWSREZSANCP-LJQANCHMSA-N	1	0	358.417	1.728	20	30		FDEDRO
N#CCCn1cc(C[NH2+]CCC2CS(=O)(=O)C2)c(-c2ccccc2)n1	ZINC000615728205	555233565	/nfs/dbraw/zinc/23/35/65/555233565.db2.gz	UAAJJPXJHGCULR-UHFFFAOYSA-N	1	0	358.467	1.988	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)c2cc(O)cc(C#N)c2)CC1	ZINC000616034256	555265775	/nfs/dbraw/zinc/26/57/75/555265775.db2.gz	CJAVUXWMVKKIIS-UHFFFAOYSA-N	1	0	351.410	1.341	20	30		FDEDRO
C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)N3CC[C@](F)(C#N)C3)cccc21	ZINC000619078601	555721944	/nfs/dbraw/zinc/72/19/44/555721944.db2.gz	URFHKNPJZSKDLN-KDOFPFPSSA-N	1	0	360.389	1.474	20	30		FDEDRO
N#Cc1ccc(C[C@@H](C#N)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1	ZINC000619381973	555769626	/nfs/dbraw/zinc/76/96/26/555769626.db2.gz	RITILEBJUSBWIB-HKUYNNGSSA-N	1	0	352.438	1.610	20	30		FDEDRO
Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C1CCN(CC#N)CC1	ZINC000619465653	555781891	/nfs/dbraw/zinc/78/18/91/555781891.db2.gz	ZOHBNPWEMJTTKF-AWEZNQCLSA-N	1	0	350.488	1.589	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC12CCC[NH+]1CCC2	ZINC000619574192	555801439	/nfs/dbraw/zinc/80/14/39/555801439.db2.gz	YZSSBSDUUDBNTE-UHFFFAOYSA-N	1	0	366.469	1.895	20	30		FDEDRO
C[C@@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)n1cnc(C#N)n1	ZINC000619599709	555806353	/nfs/dbraw/zinc/80/63/53/555806353.db2.gz	YXACMESKFLPJBV-RDJZCZTQSA-N	1	0	368.441	1.118	20	30		FDEDRO
O[C@@H](C[NH2+]CC#Cc1cccc(C(F)(F)F)c1)CC1(O)CCOCC1	ZINC000634698225	558506227	/nfs/dbraw/zinc/50/62/27/558506227.db2.gz	DXNGAUZGISJKKS-MRXNPFEDSA-N	1	0	357.372	1.939	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1	ZINC000636724998	567978550	/nfs/dbraw/zinc/97/85/50/567978550.db2.gz	AVGDJGAQHHMYTF-INIZCTEOSA-N	1	0	351.491	1.561	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(S(=O)(=O)c2cccc(C)c2C#N)CC1	ZINC000481482876	567980873	/nfs/dbraw/zinc/98/08/73/567980873.db2.gz	RSZREJAEPVVJLO-UHFFFAOYSA-N	1	0	372.450	1.781	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1	ZINC000636833803	568124217	/nfs/dbraw/zinc/12/42/17/568124217.db2.gz	MFKLTEFHPMLSOJ-UHFFFAOYSA-N	1	0	353.507	1.711	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](Oc3cccnc3N(C)C)C2)CC[N@@H+]1C	ZINC000330331836	568249365	/nfs/dbraw/zinc/24/93/65/568249365.db2.gz	OJYOVOIUWWTZSQ-BZUAXINKSA-N	1	0	361.490	1.997	20	30		FDEDRO
CN1CC[C@@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CC1=O	ZINC000365393687	568605655	/nfs/dbraw/zinc/60/56/55/568605655.db2.gz	JXRBNXFRYGKGGS-QGZVFWFLSA-N	1	0	354.454	1.529	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)nc1	ZINC000737717476	598467330	/nfs/dbraw/zinc/46/73/30/598467330.db2.gz	DKNATPRHNZNMLN-UHFFFAOYSA-N	1	0	360.425	1.892	20	30		FDEDRO
C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc(=O)n2nccc2[nH]1	ZINC000735426613	598538573	/nfs/dbraw/zinc/53/85/73/598538573.db2.gz	SVNRDRONDQYRSU-UHFFFAOYSA-N	1	0	362.397	1.391	20	30		FDEDRO
C=CCOc1ccccc1C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1	ZINC000735437152	598713719	/nfs/dbraw/zinc/71/37/19/598713719.db2.gz	YKCIFIDUQVMJCB-CYBMUJFWSA-N	1	0	366.429	1.460	20	30		FDEDRO
C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(-c2nn[nH]n2)c(F)c1	ZINC000824598770	609150835	/nfs/dbraw/zinc/15/08/35/609150835.db2.gz	ILRZUFJKQAYSSW-OZEUQTTQSA-N	1	0	371.376	1.183	20	30		FDEDRO
C=CCOCCNC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1	ZINC000823925853	609199795	/nfs/dbraw/zinc/19/97/95/609199795.db2.gz	OIAZZOUSZNUFBX-UHFFFAOYSA-N	1	0	373.461	1.143	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1	ZINC000275134425	674607900	/nfs/dbraw/zinc/60/79/00/674607900.db2.gz	ZGNAWDPJJPWJIW-LBPRGKRZSA-N	1	0	362.396	1.347	20	30		FDEDRO
CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2cccnc2C#N)CC1	ZINC000277163269	674874900	/nfs/dbraw/zinc/87/49/00/674874900.db2.gz	LXUDWDOZXLUJKX-UHFFFAOYSA-N	1	0	352.460	1.121	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1	ZINC000277269761	674903457	/nfs/dbraw/zinc/90/34/57/674903457.db2.gz	MHRWRNPJSDYCAA-MRXNPFEDSA-N	1	0	363.483	1.154	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCc2ncccc2S(C)(=O)=O)cc1	ZINC000278643304	675166096	/nfs/dbraw/zinc/16/60/96/675166096.db2.gz	ZJQWLHBCTSLOAX-UHFFFAOYSA-N	1	0	362.455	1.141	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(C[NH2+]CCS(=O)(=O)NCC2CCC2)cc1	ZINC000068986745	671375344	/nfs/dbraw/zinc/37/53/44/671375344.db2.gz	JZZUJPWFGVHPLS-AWEZNQCLSA-N	1	0	351.472	1.787	20	30		FDEDRO
CC[NH+]=C(NC[C@]1(N2CCOCC2)CCSC1)N1CCC(C)CC1	ZINC000073462965	671401471	/nfs/dbraw/zinc/40/14/71/671401471.db2.gz	MCQSPZREOCMDBJ-GOSISDBHSA-N	1	0	354.564	1.892	20	30		FDEDRO
C#CCOc1ccccc1C[NH2+]C1CCN(S(=O)(=O)CCC)CC1	ZINC000078999712	671446192	/nfs/dbraw/zinc/44/61/92/671446192.db2.gz	MUZWZOPAXBHEER-UHFFFAOYSA-N	1	0	350.484	1.992	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2cc(C)cc(Cl)n2)CC1	ZINC000286804721	675906783	/nfs/dbraw/zinc/90/67/83/675906783.db2.gz	VDXNVJQYKSXXFZ-UHFFFAOYSA-N	1	0	364.877	1.816	20	30		FDEDRO
C=CCc1cc(C[N@H+](CCO)CCN2CCOCC2)cc(OC)c1O	ZINC000092186534	671515202	/nfs/dbraw/zinc/51/52/02/671515202.db2.gz	YUZZYMHUTUNCIX-UHFFFAOYSA-N	1	0	350.459	1.256	20	30		FDEDRO
C=CCc1cc(OC)cc(C[N@H+]2CC[C@@H](S(=O)(=O)NCC)C2)c1O	ZINC000092304353	671515943	/nfs/dbraw/zinc/51/59/43/671515943.db2.gz	LBBPCEVAWAHIRR-MRXNPFEDSA-N	1	0	354.472	1.643	20	30		FDEDRO
CCN(CC)C(=[NH2+])NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000104183716	671595033	/nfs/dbraw/zinc/59/50/33/671595033.db2.gz	MOWPBUHXQZJXLF-UHFFFAOYSA-N	1	0	351.882	1.645	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NCC[N@@H+](CC)C(C)C)ccc1F	ZINC000112928465	671644488	/nfs/dbraw/zinc/64/44/88/671644488.db2.gz	WJSQGVDZXLCSLE-UHFFFAOYSA-N	1	0	371.478	1.750	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1	ZINC000119011208	671669448	/nfs/dbraw/zinc/66/94/48/671669448.db2.gz	NTJDKZYGEXVJQN-CQSZACIVSA-N	1	0	351.472	1.909	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C[C@H]2CC[NH2+]C2)c1	ZINC000128415594	671777030	/nfs/dbraw/zinc/77/70/30/671777030.db2.gz	BDNQSLDQNJVVDO-MMOSJZJFSA-N	1	0	364.471	1.438	20	30		FDEDRO
[NH2+]=C(NCCNS(=O)(=O)c1ccc(Cl)s1)N1CCCCCC1	ZINC000130671267	671796391	/nfs/dbraw/zinc/79/63/91/671796391.db2.gz	VMLASNFQRZHMNU-UHFFFAOYSA-N	1	0	364.924	1.871	20	30		FDEDRO
[NH2+]=C(NCCc1ccccc1)NC[C@H](O)CS(=O)(=O)c1cccs1	ZINC000130776297	671797723	/nfs/dbraw/zinc/79/77/23/671797723.db2.gz	IGHZREAHQIDXGH-AWEZNQCLSA-N	1	0	367.496	1.030	20	30		FDEDRO
COc1cccc(NC(=[NH2+])NCCN(C)S(=O)(=O)c2cccs2)c1	ZINC000151405455	671864576	/nfs/dbraw/zinc/86/45/76/671864576.db2.gz	GXCRXQZHPIVOEF-UHFFFAOYSA-N	1	0	368.484	1.804	20	30		FDEDRO
CC[S@@](=O)[C@@H]1CCC[C@H](NC(NCc2c(C)nn(C)c2C)=[NH+]C)C1	ZINC000155984446	671949478	/nfs/dbraw/zinc/94/94/78/671949478.db2.gz	MGFGRDGYHLVNGQ-OWWKKJFISA-N	1	0	353.536	1.782	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCOC[C@@H]2C[C@H](O)c2cccs2)CC1	ZINC000176978167	672119556	/nfs/dbraw/zinc/11/95/56/672119556.db2.gz	SWCVPJAVFURFQF-IRXDYDNUSA-N	1	0	362.495	1.744	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C[C@@H]2CCC[NH2+]2)cc1	ZINC000178429913	672141453	/nfs/dbraw/zinc/14/14/53/672141453.db2.gz	JMAWADFZPWJSGX-IXPAQYDLSA-N	1	0	364.471	1.580	20	30		FDEDRO
CC(C)(C)OC(=O)NC[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)C1CC1	ZINC000185207110	672257390	/nfs/dbraw/zinc/25/73/90/672257390.db2.gz	NWVCLFDGUZSGHL-RDTXWAMCSA-N	1	0	350.463	1.688	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NC[C@H]3CCC(C)(C)O3)=[NH+]C[C@@H]2C1	ZINC000186887114	672276978	/nfs/dbraw/zinc/27/69/78/672276978.db2.gz	GWHCSGDFMQTBSU-ZIAGYGMSSA-N	1	0	352.479	1.825	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCC[NH2+]2)ccc1F	ZINC000237732679	672424384	/nfs/dbraw/zinc/42/43/84/672424384.db2.gz	QJGYTRMKXJKYSK-ZDUSSCGKSA-N	1	0	355.435	1.162	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CON=Cc2ccc(F)cc2)C1	ZINC000255629919	672623614	/nfs/dbraw/zinc/62/36/14/672623614.db2.gz	KARMLYYIEQGFOY-KRWDZBQOSA-N	1	0	351.422	1.649	20	30		FDEDRO
C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)NC1CCC(C)(C)CC1	ZINC000261658345	672644898	/nfs/dbraw/zinc/64/48/98/672644898.db2.gz	NMBIIKMIDFSIKB-UHFFFAOYSA-N	1	0	358.552	1.792	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)N[C@@H](C)Cc1ccc(C)s1	ZINC000261664311	672646310	/nfs/dbraw/zinc/64/63/10/672646310.db2.gz	BGPUJFMHCMTUCS-JSGCOSHPSA-N	1	0	372.560	1.434	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])c1	ZINC000261731558	672660233	/nfs/dbraw/zinc/66/02/33/672660233.db2.gz	HTIADBPZPZBBSW-HIFRSBDPSA-N	1	0	351.472	1.350	20	30		FDEDRO
C[NH+]=C(NCc1ccc(Cl)cc1)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261764621	672667713	/nfs/dbraw/zinc/66/77/13/672667713.db2.gz	OOMGFHVSSHIZED-UHFFFAOYSA-N	1	0	360.849	1.498	20	30		FDEDRO
CC[NH+]=C(NCc1cccc(S(N)(=O)=O)c1)N1CC[C@@](C)(CC)C1	ZINC000261813796	672676718	/nfs/dbraw/zinc/67/67/18/672676718.db2.gz	SWMSSYBVFYJCLF-QGZVFWFLSA-N	1	0	352.504	1.922	20	30		FDEDRO
C[NH+]=C(NCc1nncn1C)N(C)Cc1cc(Br)cn1C	ZINC000261847292	672682598	/nfs/dbraw/zinc/68/25/98/672682598.db2.gz	XMSUCOHVPKZHEX-UHFFFAOYSA-N	1	0	354.256	1.124	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N[C@@H]1CCN(C(=O)CC)C1	ZINC000261966242	672703700	/nfs/dbraw/zinc/70/37/00/672703700.db2.gz	LNMKAZSRAXGWIF-WTTBNOFXSA-N	1	0	350.507	1.756	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)NC1CCC(C(C)C)CC1	ZINC000261974421	672705104	/nfs/dbraw/zinc/70/51/04/672705104.db2.gz	NJJVGUYPDFYSSZ-FHERZECASA-N	1	0	358.552	1.648	20	30		FDEDRO
CC[NH+]=C(NC[C@H](c1ccco1)N(C)C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000262014429	672711908	/nfs/dbraw/zinc/71/19/08/672711908.db2.gz	XJJWBDOGUABTEN-CQSZACIVSA-N	1	0	370.519	1.357	20	30		FDEDRO
CC[NH+]=C(NCC1(N(C)C)CCCCC1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000262015326	672712190	/nfs/dbraw/zinc/71/21/90/672712190.db2.gz	XOZKSOSCZPDQDY-UHFFFAOYSA-N	1	0	372.579	1.725	20	30		FDEDRO
CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=[NH2+])Nc1cc(F)ccc1F	ZINC000262237155	672752166	/nfs/dbraw/zinc/75/21/66/672752166.db2.gz	ANJMCMNHXKSIBS-GXFFZTMASA-N	1	0	360.430	1.799	20	30		FDEDRO
CCC[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCc2ccc(F)cc2C1	ZINC000262327606	672770625	/nfs/dbraw/zinc/77/06/25/672770625.db2.gz	AIJOLEKUMOAPFY-CQSZACIVSA-N	1	0	367.490	1.974	20	30		FDEDRO
CC(C)C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCOC(C)(C)C1	ZINC000262327588	672770681	/nfs/dbraw/zinc/77/06/81/672770681.db2.gz	AHVWJNXWQAZVFW-LSDHHAIUSA-N	1	0	359.536	1.570	20	30		FDEDRO
CC[NH+]=C(NCCc1cc(F)ccc1F)N1CCN(C2CC2)C(=O)C1	ZINC000262337767	672772847	/nfs/dbraw/zinc/77/28/47/672772847.db2.gz	CBTHIZUDIRDTNO-UHFFFAOYSA-N	1	0	350.413	1.779	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)NC[C@H]1COC2(CCCCC2)O1	ZINC000262340178	672773124	/nfs/dbraw/zinc/77/31/24/672773124.db2.gz	CLCHPIONZGOMGC-GJZGRUSLSA-N	1	0	373.519	1.052	20	30		FDEDRO
C#C[C@H](NC(=[NH2+])N1CCN(c2ncccn2)CC1)c1ccc(Cl)cc1	ZINC000262347120	672774560	/nfs/dbraw/zinc/77/45/60/672774560.db2.gz	DYFUPOQAMKAZGF-INIZCTEOSA-N	1	0	354.845	1.941	20	30		FDEDRO
CN(CC1CCOCC1)C(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CCCC1	ZINC000262347312	672774628	/nfs/dbraw/zinc/77/46/28/672774628.db2.gz	DLWDFASSDVNWOM-MRXNPFEDSA-N	1	0	371.547	1.668	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(NCc2ccc(Cl)cn2)=[NH+]C2CC2)C1	ZINC000262378301	672779461	/nfs/dbraw/zinc/77/94/61/672779461.db2.gz	JYGLTVBHYZKKQI-LLVKDONJSA-N	1	0	356.879	1.367	20	30		FDEDRO
C[NH+]=C(NCc1ccc(C(N)=O)o1)N1CCN(Cc2cccs2)CC1	ZINC000262389072	672781630	/nfs/dbraw/zinc/78/16/30/672781630.db2.gz	LTBGYNAQTVNREQ-UHFFFAOYSA-N	1	0	361.471	1.333	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCc2ccccc2C1	ZINC000262403609	672783667	/nfs/dbraw/zinc/78/36/67/672783667.db2.gz	OCEQWISENVOPAR-YJBOKZPZSA-N	1	0	363.527	1.922	20	30		FDEDRO
COCC1(C)CCN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)CC1	ZINC000262449641	672791499	/nfs/dbraw/zinc/79/14/99/672791499.db2.gz	VSLTWFNTVRGDQM-AWEZNQCLSA-N	1	0	357.520	1.278	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(NC[C@H]2CCOC2)=[NH+]C2CCCCC2)C1	ZINC000262450542	672791533	/nfs/dbraw/zinc/79/15/33/672791533.db2.gz	VVUWKWAWQXJALF-HUUCEWRRSA-N	1	0	357.520	1.326	20	30		FDEDRO
CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=[NH2+])N[C@H]1CCOc2ccccc21	ZINC000262454714	672792664	/nfs/dbraw/zinc/79/26/64/672792664.db2.gz	WOXJYEUHBIUZNZ-CFVMTHIKSA-N	1	0	366.487	1.132	20	30		FDEDRO
CN(Cc1cccc(F)c1)C(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CC1	ZINC000262539813	672804981	/nfs/dbraw/zinc/80/49/81/672804981.db2.gz	KYMAMMDUGDMUGD-CQSZACIVSA-N	1	0	353.463	1.800	20	30		FDEDRO
C[C@@H]1C[NH+]=C(NCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)N1	ZINC000262683002	672830043	/nfs/dbraw/zinc/83/00/43/672830043.db2.gz	XBANEPDDGJOOGZ-ZIAGYGMSSA-N	1	0	350.488	1.545	20	30		FDEDRO
C[NH+]=C(NCC1(O)CCCC1)N1CCS(=O)(=O)C2(CCCCC2)C1	ZINC000262774606	672847445	/nfs/dbraw/zinc/84/74/45/672847445.db2.gz	IVIZMQOHRPMKLI-UHFFFAOYSA-N	1	0	357.520	1.300	20	30		FDEDRO
C[NH+]=C(NCC1CCN(C(C)=O)CC1)N1CCC[C@@]2(CCCOC2)C1	ZINC000262789296	672849949	/nfs/dbraw/zinc/84/99/49/672849949.db2.gz	NPUBSTPBCDGXAB-LJQANCHMSA-N	1	0	350.507	1.713	20	30		FDEDRO
CCS(=O)(=O)c1cc(Cl)cc(CNC(=[NH2+])N2CCSCC2)c1	ZINC000263063342	672860679	/nfs/dbraw/zinc/86/06/79/672860679.db2.gz	FVHPJGQLRMFNLA-UHFFFAOYSA-N	1	0	361.920	1.997	20	30		FDEDRO
CCNC(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)=[NH+]CC	ZINC000264079821	672900284	/nfs/dbraw/zinc/90/02/84/672900284.db2.gz	GYHMOTGYWPLDJP-UHFFFAOYSA-N	1	0	352.504	1.936	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1csc(Br)c1	ZINC000264078903	672900340	/nfs/dbraw/zinc/90/03/40/672900340.db2.gz	GTZSCFIFXQREMB-UHFFFAOYSA-N	1	0	361.309	1.637	20	30		FDEDRO
CCS(=O)(=O)N(C)CCCNC(=[NH2+])Nc1ccc(OC)c(OC)c1	ZINC000264117667	672901876	/nfs/dbraw/zinc/90/18/76/672901876.db2.gz	TWFBAMQBXDAMBH-UHFFFAOYSA-N	1	0	358.464	1.102	20	30		FDEDRO
COC(=O)C[C@H]1CSCC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1	ZINC000266961866	673224109	/nfs/dbraw/zinc/22/41/09/673224109.db2.gz	WVJNPIFUSFQMIW-GJZGRUSLSA-N	1	0	350.440	1.278	20	30		FDEDRO
C=CCc1cc(C[NH+]2CCC(CNS(C)(=O)=O)CC2)cc(OC)c1O	ZINC000289358598	676124457	/nfs/dbraw/zinc/12/44/57/676124457.db2.gz	KBXTXFMZRUMAIG-UHFFFAOYSA-N	1	0	368.499	1.891	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCC2([NH+](C)C)CCOCC2)cc1OC	ZINC000267393868	673299195	/nfs/dbraw/zinc/29/91/95/673299195.db2.gz	DNZWPOKEEWZRSU-UHFFFAOYSA-N	1	0	350.463	1.219	20	30		FDEDRO
CN(C)S(=O)(=O)CCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1	ZINC000290623532	676218613	/nfs/dbraw/zinc/21/86/13/676218613.db2.gz	KPSMBYFYIRFJDJ-UHFFFAOYSA-N	1	0	354.354	1.203	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CCC[NH+]2CCCC2)c1	ZINC000281803146	675561884	/nfs/dbraw/zinc/56/18/84/675561884.db2.gz	TZUYUCFOIOGVFR-UHFFFAOYSA-N	1	0	363.483	1.156	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C	ZINC000281856572	675569178	/nfs/dbraw/zinc/56/91/78/675569178.db2.gz	BOEPTUSCQXLSSU-RDJZCZTQSA-N	1	0	368.503	1.374	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NCC1([NH+](C)C)Cc2ccccc2C1	ZINC000282326667	675622705	/nfs/dbraw/zinc/62/27/05/675622705.db2.gz	AQMXMQZWDTZIPQ-AWEZNQCLSA-N	1	0	350.488	1.154	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000282332582	675623575	/nfs/dbraw/zinc/62/35/75/675623575.db2.gz	QBMKBIYLPVVQHH-NUJGCVRESA-N	1	0	364.515	1.965	20	30		FDEDRO
CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)N(C)C[C@H](C)C#N	ZINC000282354659	675625212	/nfs/dbraw/zinc/62/52/12/675625212.db2.gz	AUWQSUSTEOTABT-OAHLLOKOSA-N	1	0	352.504	1.954	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1	ZINC000282504887	675631335	/nfs/dbraw/zinc/63/13/35/675631335.db2.gz	ZFHBRYLRTGYLAX-MAUKXSAKSA-N	1	0	364.515	1.823	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)NCc1nc(C)cs1)C(C)C	ZINC000283489348	675657871	/nfs/dbraw/zinc/65/78/71/675657871.db2.gz	OBSJKGBFERPEJJ-HNNXBMFYSA-N	1	0	364.515	1.883	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CCOC1)C(C)C	ZINC000284012480	675668082	/nfs/dbraw/zinc/66/80/82/675668082.db2.gz	KQPHHLPZRKNHEL-IRXDYDNUSA-N	1	0	351.491	1.296	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[NH+]1CCC(CNS(C)(=O)=O)CC1	ZINC000285414697	675824575	/nfs/dbraw/zinc/82/45/75/675824575.db2.gz	JGPFFKXJFMKNOS-UHFFFAOYSA-N	1	0	367.471	1.207	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2CC[NH3+])cc1	ZINC000285917851	675853263	/nfs/dbraw/zinc/85/32/63/675853263.db2.gz	DTOODKBVLWSSSU-OAHLLOKOSA-N	1	0	351.472	1.494	20	30		FDEDRO
C=CCOc1c(Br)cc(C[NH2+][C@@H]2COC[C@H]2O)cc1OC	ZINC000295774374	676410168	/nfs/dbraw/zinc/41/01/68/676410168.db2.gz	YRVNIUQRZVDONB-CHWSQXEVSA-N	1	0	358.232	1.872	20	30		FDEDRO
C[C@H](O)C[N@H+](CCO)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2	ZINC000298461877	676465543	/nfs/dbraw/zinc/46/55/43/676465543.db2.gz	IDHADVAKAGNQIF-STQMWFEESA-N	1	0	365.499	1.748	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)NCCCN1CCCC1=O)C(C)C	ZINC000298609068	676480904	/nfs/dbraw/zinc/48/09/04/676480904.db2.gz	DEERBPJNFBQICF-KRWDZBQOSA-N	1	0	350.507	1.997	20	30		FDEDRO
CCOCCCNC(=[NH2+])NC[C@H](c1cccc(F)c1)N1CCOCC1	ZINC000303882313	676543498	/nfs/dbraw/zinc/54/34/98/676543498.db2.gz	LHOJHZRLZXGTPR-QGZVFWFLSA-N	1	0	352.454	1.530	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2nccn2CC(C)C)CC1	ZINC000304751522	676544436	/nfs/dbraw/zinc/54/44/36/676544436.db2.gz	JJXXNEDPBXQMFA-UHFFFAOYSA-N	1	0	350.467	1.564	20	30		FDEDRO
C[C@H]1CCCN(C(=[NH2+])NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1	ZINC000304765845	676544550	/nfs/dbraw/zinc/54/45/50/676544550.db2.gz	ZVRJXKCONABHPH-NSHDSACASA-N	1	0	370.441	1.595	20	30		FDEDRO
CCO[C@H]1C[C@@H](NC(=[NH2+])NCCCN2CCOCC2)C12CCCCC2	ZINC000304781488	676544556	/nfs/dbraw/zinc/54/45/56/676544556.db2.gz	GIQDNOFJRXULFT-SJORKVTESA-N	1	0	352.523	1.741	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(CCNC(=[NH2+])N2CCCCCC2)CC1	ZINC000305066459	676544796	/nfs/dbraw/zinc/54/47/96/676544796.db2.gz	NASPGJFAEQKTSL-UHFFFAOYSA-N	1	0	353.511	1.730	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C	ZINC000328299058	676598564	/nfs/dbraw/zinc/59/85/64/676598564.db2.gz	UDNKUMFMWOQFCG-UHFFFAOYSA-N	1	0	359.835	1.790	20	30		FDEDRO
C[C@H](CNC(=O)N[C@@H]1CCCC12CCOCC2)C[NH+]1CCN(C)CC1	ZINC000328644206	676600445	/nfs/dbraw/zinc/60/04/45/676600445.db2.gz	AMTJVXZGZRVTEO-IAGOWNOFSA-N	1	0	352.523	1.723	20	30		FDEDRO
Cc1cc(C)c(CNC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c(=O)[nH]1	ZINC000328656326	676600980	/nfs/dbraw/zinc/60/09/80/676600980.db2.gz	NQRFSBKWSLFGSC-OAHLLOKOSA-N	1	0	350.463	1.764	20	30		FDEDRO
CS(=O)(=O)N1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1	ZINC000328664273	676601320	/nfs/dbraw/zinc/60/13/20/676601320.db2.gz	BRQQSHVAAOJQKI-INIZCTEOSA-N	1	0	373.519	1.258	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)C[N@@H+]1C1CC1	ZINC000328685803	676602130	/nfs/dbraw/zinc/60/21/30/676602130.db2.gz	FUNODYGBLNJTHF-AESZEHBQSA-N	1	0	351.491	1.683	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)CC[N@@H+]1C	ZINC000328690883	676602497	/nfs/dbraw/zinc/60/24/97/676602497.db2.gz	BTHVYOWCPATSLF-HUUCEWRRSA-N	1	0	372.535	1.273	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)[C@H]2CSCN2C(=O)C(C)(C)C)CC1(C)C	ZINC000328696117	676602691	/nfs/dbraw/zinc/60/26/91/676602691.db2.gz	GPOYWKUKMQSUDV-CQSZACIVSA-N	1	0	370.563	1.917	20	30		FDEDRO
CN(CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1	ZINC000328749224	676605132	/nfs/dbraw/zinc/60/51/32/676605132.db2.gz	MGCHTQQSLMZJGL-IAGOWNOFSA-N	1	0	365.499	1.336	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2CCN(S(C)(=O)=O)CC2)C[C@H]1C	ZINC000328753630	676605283	/nfs/dbraw/zinc/60/52/83/676605283.db2.gz	NVXQWCIIGFUGRZ-ZBFHGGJFSA-N	1	0	374.551	1.377	20	30		FDEDRO
CS(=O)(=O)NC[C@H]1CCCN(C(=O)NC2CC[NH+](CC3CC3)CC2)C1	ZINC000328772448	676606295	/nfs/dbraw/zinc/60/62/95/676606295.db2.gz	BEHWJXSHSSGBOX-OAHLLOKOSA-N	1	0	372.535	1.036	20	30		FDEDRO
C[NH+](C)CC1(NC(=O)Nc2nc(CN3CCOCC3)cs2)CCC1	ZINC000328821917	676608495	/nfs/dbraw/zinc/60/84/95/676608495.db2.gz	PBEPBXUOAQLRJB-UHFFFAOYSA-N	1	0	353.492	1.595	20	30		FDEDRO
Cn1ncnc1[C@H]1COCCN1C(=O)NCC1([NH+](C)C)CCCCC1	ZINC000328888641	676610791	/nfs/dbraw/zinc/61/07/91/676610791.db2.gz	QFKXMGAYCGXREE-CQSZACIVSA-N	1	0	350.467	1.367	20	30		FDEDRO
O=C(CCN1CCCS1(=O)=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000328924733	676612342	/nfs/dbraw/zinc/61/23/42/676612342.db2.gz	DNQOBIQXSGLPDD-HZPDHXFCSA-N	1	0	373.519	1.136	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCO[C@H]2c2nccn2C)C1	ZINC000328948559	676613579	/nfs/dbraw/zinc/61/35/79/676613579.db2.gz	KOSGOYWWGVKENK-ARFHVFGLSA-N	1	0	350.463	1.811	20	30		FDEDRO
Cc1noc([C@H]2CCN(C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)C2)n1	ZINC000328978562	676614566	/nfs/dbraw/zinc/61/45/66/676614566.db2.gz	CKOVSGUEJMPFII-AWEZNQCLSA-N	1	0	350.467	1.107	20	30		FDEDRO
CCN(C(=O)NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1CCS(=O)(=O)C1	ZINC000329103198	676620093	/nfs/dbraw/zinc/62/00/93/676620093.db2.gz	FZLFWGVVWNWCFO-OAHLLOKOSA-N	1	0	373.519	1.054	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1C[C@@H](OC)C[C@H]1C[NH+]1CCCC1	ZINC000329159132	676622928	/nfs/dbraw/zinc/62/29/28/676622928.db2.gz	DCVPYNOREWOMTN-JONQDZQNSA-N	1	0	352.479	1.841	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@@H](C(=O)N2CCCC2)C1	ZINC000329227264	676626737	/nfs/dbraw/zinc/62/67/37/676626737.db2.gz	IBLUCTSRSDOKIR-IXDOHACOSA-N	1	0	350.507	1.965	20	30		FDEDRO
N#CC1(CS(=O)(=O)NCC2([NH+]3CCCC3)CCOCC2)CCCC1	ZINC000329515192	676642160	/nfs/dbraw/zinc/64/21/60/676642160.db2.gz	MFMSYFWLZPTVRV-UHFFFAOYSA-N	1	0	355.504	1.635	20	30		FDEDRO
C[C@@H]1CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C[C@H](C)S1(=O)=O	ZINC000329634734	676647156	/nfs/dbraw/zinc/64/71/56/676647156.db2.gz	XIHSTVPXISSNJQ-OKILXGFUSA-N	1	0	357.520	1.815	20	30		FDEDRO
CC[C@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)C[C@@H]1N1CCOCC1	ZINC000329727083	676651985	/nfs/dbraw/zinc/65/19/85/676651985.db2.gz	CHVPCDDBCQASNB-HOTGVXAUSA-N	1	0	355.504	1.443	20	30		FDEDRO
Cc1nnc([C@H](C)NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)s1	ZINC000329768135	676654295	/nfs/dbraw/zinc/65/42/95/676654295.db2.gz	DLZAHZAZEFGKOF-GDLCADMTSA-N	1	0	353.492	1.789	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1	ZINC000329811869	676658164	/nfs/dbraw/zinc/65/81/64/676658164.db2.gz	RTTKZUHHGUUXMD-PXAZEXFGSA-N	1	0	363.483	1.915	20	30		FDEDRO
O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)N1CCO[C@@H](CO)C1	ZINC000329892502	676662506	/nfs/dbraw/zinc/66/25/06/676662506.db2.gz	AALSPZMTGFUSHI-JXQTWKCFSA-N	1	0	365.396	1.399	20	30		FDEDRO
C[C@H](C(=O)NCC1CC[NH+](C2CC2)CC1)S(=O)(=O)C1CCOCC1	ZINC000329965021	676665911	/nfs/dbraw/zinc/66/59/11/676665911.db2.gz	UEYCKHPPVOVFFT-CYBMUJFWSA-N	1	0	358.504	1.800	20	30		FDEDRO
CN(C(=O)N[C@@H]1CC[S@](=O)C1)C1CC[NH+](CCc2ccccn2)CC1	ZINC000329982348	676667111	/nfs/dbraw/zinc/66/71/11/676667111.db2.gz	AFUXGJLLWHHQNQ-CPJLOUKISA-N	1	0	364.515	1.455	20	30		FDEDRO
C[NH+]1CCC(O)(CNC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1	ZINC000330035077	676669652	/nfs/dbraw/zinc/66/96/52/676669652.db2.gz	XAEPZBJWDDWKEQ-HNNXBMFYSA-N	1	0	352.479	1.327	20	30		FDEDRO
CC(C)(C)c1cn2c(n1)CC[C@H]([NH+]=C([O-])NC[C@@H]1CCCS1(=O)=O)C2	ZINC000330093737	676672061	/nfs/dbraw/zinc/67/20/61/676672061.db2.gz	ZYQMOEVEJHEEDL-STQMWFEESA-N	1	0	368.503	1.576	20	30		FDEDRO
Cc1noc(C2CCN(C(=O)NC[C@]3([NH+](C)C)CCSC3)CC2)n1	ZINC000330132564	676674595	/nfs/dbraw/zinc/67/45/95/676674595.db2.gz	GDOORTPZCBCWRZ-MRXNPFEDSA-N	1	0	353.492	1.909	20	30		FDEDRO
Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@H]2CCC[C@@H]2C#N)CC1	ZINC000330148874	676675245	/nfs/dbraw/zinc/67/52/45/676675245.db2.gz	JTANVJODNYLGME-HIFRSBDPSA-N	1	0	351.476	1.462	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CCO[C@@H]2CCC[C@@H]21	ZINC000330215397	676679161	/nfs/dbraw/zinc/67/91/61/676679161.db2.gz	GZOOXKUFTHMHDD-VSZNYVQBSA-N	1	0	351.491	1.922	20	30		FDEDRO
C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CCC[C@H](c2ccnn2C)C1	ZINC000330466490	676692004	/nfs/dbraw/zinc/69/20/04/676692004.db2.gz	XFIOVNDPUVICPS-MNOVXSKESA-N	1	0	361.368	1.581	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(S(N)(=O)=O)nc2)C1	ZINC000330545728	676696229	/nfs/dbraw/zinc/69/62/29/676696229.db2.gz	YRXJQBJAVMXZNS-CYBMUJFWSA-N	1	0	354.476	1.402	20	30		FDEDRO
C[NH+](C)C1CCN(CCNC(=O)N2CCC(O)(C(F)(F)F)CC2)CC1	ZINC000330717240	676701837	/nfs/dbraw/zinc/70/18/37/676701837.db2.gz	ZSQZMHIQGVCVNO-UHFFFAOYSA-N	1	0	366.428	1.316	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC(O)(C(F)(F)F)CC2)C1	ZINC000330714100	676701895	/nfs/dbraw/zinc/70/18/95/676701895.db2.gz	XGSIBWHOZOZURN-ZDUSSCGKSA-N	1	0	367.412	1.646	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O	ZINC000330719849	676702045	/nfs/dbraw/zinc/70/20/45/676702045.db2.gz	FPWYLGXPZXMQHN-QKPAOTATSA-N	1	0	374.551	1.471	20	30		FDEDRO
C[NH+](C)CC1(CNC(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)CCCC1	ZINC000330765891	676703427	/nfs/dbraw/zinc/70/34/27/676703427.db2.gz	QLKGTRZZQOCJNT-HUUCEWRRSA-N	1	0	374.551	1.472	20	30		FDEDRO
Cc1cc(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc(S(N)(=O)=O)c1C	ZINC000330772806	676703847	/nfs/dbraw/zinc/70/38/47/676703847.db2.gz	PUKAIQMONWLNKQ-ZDUSSCGKSA-N	1	0	351.472	1.906	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[S@](=O)[C@H](C)[C@@H]2C)[C@@H](C)C1	ZINC000330868907	676707311	/nfs/dbraw/zinc/70/73/11/676707311.db2.gz	YVDGALXSRNJYSP-LDYWLHGHSA-N	1	0	373.563	1.879	20	30		FDEDRO
C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](CS(C)(=O)=O)C2)C1	ZINC000331140146	676718328	/nfs/dbraw/zinc/71/83/28/676718328.db2.gz	WXSVKKUCEYJODE-CABCVRRESA-N	1	0	359.536	1.777	20	30		FDEDRO
C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H](CS(C)(=O)=O)C2)C1	ZINC000331140147	676718396	/nfs/dbraw/zinc/71/83/96/676718396.db2.gz	WXSVKKUCEYJODE-HUUCEWRRSA-N	1	0	359.536	1.777	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H](CNC(=O)NC2CCN(S(=O)(=O)C(C)C)CC2)C1	ZINC000331298848	676726244	/nfs/dbraw/zinc/72/62/44/676726244.db2.gz	UAMIQFWVXGDAPW-HNNXBMFYSA-N	1	0	374.551	1.425	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC(CS(N)(=O)=O)CC1	ZINC000331298483	676726376	/nfs/dbraw/zinc/72/63/76/676726376.db2.gz	VDMWLSHIBAEZGH-KGLIPLIRSA-N	1	0	360.524	1.021	20	30		FDEDRO
Cn1cc([C@H](NC(=O)N2CC[NH+](CC(C)(C)O)CC2)C(F)(F)F)cn1	ZINC000331324903	676727592	/nfs/dbraw/zinc/72/75/92/676727592.db2.gz	NHKNTBVWPXCAJK-LBPRGKRZSA-N	1	0	363.384	1.326	20	30		FDEDRO
CC[C@H](CNS(=O)(=O)N(C)C[C@H](C)C#N)[N@@H+]1CCc2ccccc2C1	ZINC000332665042	676743639	/nfs/dbraw/zinc/74/36/39/676743639.db2.gz	FIPTVDAEYODRPR-CRAIPNDOSA-N	1	0	364.515	1.749	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2COC3(CCOCC3)O2)CC1	ZINC000360793224	676875633	/nfs/dbraw/zinc/87/56/33/676875633.db2.gz	NYDRAVDJUHRYTN-INIZCTEOSA-N	1	0	353.463	1.248	20	30		FDEDRO
C#CC[C@H](C)[NH2+]C1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1	ZINC000361053387	676882421	/nfs/dbraw/zinc/88/24/21/676882421.db2.gz	QRZPSVAVXURJLU-AWEZNQCLSA-N	1	0	363.483	1.800	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000362164928	676910571	/nfs/dbraw/zinc/91/05/71/676910571.db2.gz	WPNBUWGBPSQZSB-XYPHTWIQSA-N	1	0	367.446	1.570	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1	ZINC000369529183	677505901	/nfs/dbraw/zinc/50/59/01/677505901.db2.gz	WQBDTQMTGJKWQM-SJLPKXTDSA-N	1	0	364.515	1.967	20	30		FDEDRO
COC(=O)[C@H]1CN(C(=O)Nc2ccc(CC#N)cc2Cl)CC[N@H+](C)C1	ZINC000417175503	679747574	/nfs/dbraw/zinc/74/75/74/679747574.db2.gz	JNJCPKATJLOKPL-CYBMUJFWSA-N	1	0	364.833	1.975	20	30		FDEDRO
C[N@H+](CC(=O)Nc1sccc1C#N)C1CCN(c2cccnn2)CC1	ZINC000370431775	677577545	/nfs/dbraw/zinc/57/75/45/677577545.db2.gz	BDHLRXSCTCFFMY-UHFFFAOYSA-N	1	0	356.455	1.949	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(C2CC2)C2CC[NH2+]CC2)cc1	ZINC000370785796	677614274	/nfs/dbraw/zinc/61/42/74/677614274.db2.gz	GJDMLLAVQNGQSX-UHFFFAOYSA-N	1	0	363.483	1.508	20	30		FDEDRO
N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@H](n3cncn3)C1)CCC2	ZINC000372369469	677905025	/nfs/dbraw/zinc/90/50/25/677905025.db2.gz	QSKCXUOGSNWLOC-LBPRGKRZSA-N	1	0	356.455	1.976	20	30		FDEDRO
C(#CC[N@@H+]1CCS[C@@H]2COCC[C@@H]21)CN1CCS[C@@H]2COCC[C@@H]21	ZINC000372697450	677961792	/nfs/dbraw/zinc/96/17/92/677961792.db2.gz	XVQPTRCLQNBIQP-WNRNVDISSA-N	1	0	368.568	1.402	20	30		FDEDRO
C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C[C@H]1C[NH3+]	ZINC000422551578	680740031	/nfs/dbraw/zinc/74/00/31/680740031.db2.gz	FFVQITSETMDWQR-IJLUTSLNSA-N	1	0	352.416	1.460	20	30		FDEDRO
C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C[C@@H]1C[NH3+]	ZINC000422551579	680740064	/nfs/dbraw/zinc/74/00/64/680740064.db2.gz	FFVQITSETMDWQR-UTUOFQBUSA-N	1	0	352.416	1.460	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(C#N)s1	ZINC000373020036	678009607	/nfs/dbraw/zinc/00/96/07/678009607.db2.gz	BBGAEIXDCFKCSN-XBFCOCLRSA-N	1	0	355.485	1.492	20	30		FDEDRO
C[N@H+](Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2cccnc2C#N)C1	ZINC000373036131	678013222	/nfs/dbraw/zinc/01/32/22/678013222.db2.gz	PSNRGADGLXWJAV-MRXNPFEDSA-N	1	0	356.451	1.848	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1	ZINC000374416029	678079136	/nfs/dbraw/zinc/07/91/36/678079136.db2.gz	PFLACRNVVDFANK-NVXWUHKLSA-N	1	0	370.519	1.042	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000374604590	678088186	/nfs/dbraw/zinc/08/81/86/678088186.db2.gz	VXLLDMWQKSSRSJ-NVXWUHKLSA-N	1	0	350.488	1.577	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1	ZINC000374694904	678089956	/nfs/dbraw/zinc/08/99/56/678089956.db2.gz	QZTAMHWLYXWZSB-QGZVFWFLSA-N	1	0	365.499	1.551	20	30		FDEDRO
C[C@H](CO)[N@@H+]1CCCN(CC(=O)Nc2ccccc2SCC#N)CC1	ZINC000375480095	678101588	/nfs/dbraw/zinc/10/15/88/678101588.db2.gz	ABBKFNLCLNOGLY-OAHLLOKOSA-N	1	0	362.499	1.629	20	30		FDEDRO
C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000376343097	678279832	/nfs/dbraw/zinc/27/98/32/678279832.db2.gz	DVAHNXDKMJRSBS-TZMCWYRMSA-N	1	0	364.427	1.714	20	30		FDEDRO
N#Cc1ccc(S(N)(=O)=O)cc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1	ZINC000376402424	678296139	/nfs/dbraw/zinc/29/61/39/678296139.db2.gz	IMIFZJUUSYQJKP-YOEHRIQHSA-N	1	0	360.483	1.659	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1	ZINC000423022718	680772567	/nfs/dbraw/zinc/77/25/67/680772567.db2.gz	IHDQXQWONJZXQL-OLZOCXBDSA-N	1	0	367.902	1.984	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@]2(F)CC[NH2+]C2)c1	ZINC000378210030	678717776	/nfs/dbraw/zinc/71/77/76/678717776.db2.gz	CNNNUOHBBCJROM-ZGPWBKFBSA-N	1	0	368.434	1.140	20	30		FDEDRO
CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1	ZINC000378345319	678741919	/nfs/dbraw/zinc/74/19/19/678741919.db2.gz	IZHIXMQAXNTNBR-QGZVFWFLSA-N	1	0	350.488	1.550	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N(CCCc1ccccc1)CC[NH+](C)C	ZINC000409559599	678859461	/nfs/dbraw/zinc/85/94/61/678859461.db2.gz	VMAQJYIQKPKWCU-QGZVFWFLSA-N	1	0	366.531	1.819	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)N(CC)CCC#N)[C@H](C)C1	ZINC000410125063	678880011	/nfs/dbraw/zinc/88/00/11/678880011.db2.gz	YGVZPZHSTDOQOH-CVEARBPZSA-N	1	0	360.524	1.193	20	30		FDEDRO
CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)[C@@H]([NH3+])CCCC#N)cc1	ZINC000424100086	680829734	/nfs/dbraw/zinc/82/97/34/680829734.db2.gz	HERJWFASJSKZQK-INIZCTEOSA-N	1	0	366.487	1.152	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1	ZINC000424103798	680829961	/nfs/dbraw/zinc/82/99/61/680829961.db2.gz	SXSRXIGJRNIYSE-OAHLLOKOSA-N	1	0	350.444	1.335	20	30		FDEDRO
CCCCNS(=O)(=O)c1cccc(NC(=O)[C@H]([NH3+])CCCC#N)c1	ZINC000424063602	680827897	/nfs/dbraw/zinc/82/78/97/680827897.db2.gz	IHIPAAGGPXUXAO-OAHLLOKOSA-N	1	0	352.460	1.725	20	30		FDEDRO
CSc1ccccc1OC[C@H](O)C[N@H+](CC(=O)NCC#N)C(C)C	ZINC000411983326	679139301	/nfs/dbraw/zinc/13/93/01/679139301.db2.gz	LDQWVWAOUZDVEU-CQSZACIVSA-N	1	0	351.472	1.498	20	30		FDEDRO
CN(CC(=O)Nc1ccccc1Br)C(=O)[C@H]([NH3+])CCCC#N	ZINC000424075067	680828731	/nfs/dbraw/zinc/82/87/31/680828731.db2.gz	IPLXROBNIDWXFA-GFCCVEGCSA-N	1	0	367.247	1.867	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O	ZINC000424164175	680831026	/nfs/dbraw/zinc/83/10/26/680831026.db2.gz	BWUNKOXQXJDFJZ-KBPBESRZSA-N	1	0	352.797	1.722	20	30		FDEDRO
C=C(C)Cn1c(COCC)nnc1N1CC[NH+](C(C)(C)COC)CC1	ZINC000424225505	680832890	/nfs/dbraw/zinc/83/28/90/680832890.db2.gz	VJTSCVMMNXSLGV-UHFFFAOYSA-N	1	0	351.495	1.938	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)CSc1nnc(NCc2ccco2)s1	ZINC000414097014	679330384	/nfs/dbraw/zinc/33/03/84/679330384.db2.gz	MTIQWCISERYCQS-LLVKDONJSA-N	1	0	353.473	2.042	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCC[C@@H]2[NH+](C)C)c1	ZINC000414464072	679352801	/nfs/dbraw/zinc/35/28/01/679352801.db2.gz	MBJYZUCZKZQAHD-HOTGVXAUSA-N	1	0	351.472	1.363	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1	ZINC000414889412	679372560	/nfs/dbraw/zinc/37/25/60/679372560.db2.gz	GKYXVXVGSQZIOS-ZFWWWQNUSA-N	1	0	366.487	1.742	20	30		FDEDRO
C[C@H]([NH3+])[C@H](C)NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	ZINC000414914841	679373821	/nfs/dbraw/zinc/37/38/21/679373821.db2.gz	PNHYRWNXPUTIRE-UWVGGRQHSA-N	1	0	362.484	2.559	20	30		FDEDRO
C[C@@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000415378878	679419098	/nfs/dbraw/zinc/41/90/98/679419098.db2.gz	QHRMXEAKADBAAA-SECBINFHSA-N	1	0	358.320	1.291	20	30		FDEDRO
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NC[C@@H]2CCC[NH2+]C2)n1	ZINC000415442322	679431798	/nfs/dbraw/zinc/43/17/98/679431798.db2.gz	FNFJSIKYIOVEJU-GFCCVEGCSA-N	1	0	358.833	2.518	20	30		FDEDRO
CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000415503775	679441135	/nfs/dbraw/zinc/44/11/35/679441135.db2.gz	VGSGNZKLZWVIPO-LLVKDONJSA-N	1	0	354.357	1.732	20	30		FDEDRO
CC(C)C[C@@H](C[NH3+])NC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1	ZINC000415591808	679460211	/nfs/dbraw/zinc/46/02/11/679460211.db2.gz	BCXQIXDOQBGSCU-JSGCOSHPSA-N	1	0	352.460	1.867	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC[C@H]2CCC[NH2+]2)cc1	ZINC000415602465	679462840	/nfs/dbraw/zinc/46/28/40/679462840.db2.gz	RUIDBTDSZYBVFC-QWHCGFSZSA-N	1	0	350.444	1.636	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000415620167	679466960	/nfs/dbraw/zinc/46/69/60/679466960.db2.gz	UIRAKNHOXBBPSH-RNCFNFMXSA-N	1	0	365.231	1.373	20	30		FDEDRO
C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000415687405	679479329	/nfs/dbraw/zinc/47/93/29/679479329.db2.gz	VOJVNQVQFSHFHP-ZANVPECISA-N	1	0	365.231	1.516	20	30		FDEDRO
N#CCCSc1ccccc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1	ZINC000415752311	679492631	/nfs/dbraw/zinc/49/26/31/679492631.db2.gz	XCBKATWNXQKYIJ-ZIAGYGMSSA-N	1	0	358.467	1.699	20	30		FDEDRO
C[C@H](CCC[NH3+])NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000415760574	679494450	/nfs/dbraw/zinc/49/44/50/679494450.db2.gz	LXSIKCGNZZYETK-SECBINFHSA-N	1	0	358.320	1.639	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH3+]	ZINC000415815659	679512576	/nfs/dbraw/zinc/51/25/76/679512576.db2.gz	WRZJEWPMGNPMOM-ZJUUUORDSA-N	1	0	370.247	1.804	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NCCC[NH2+]C2CC2)ccc1Br	ZINC000415867151	679530420	/nfs/dbraw/zinc/53/04/20/679530420.db2.gz	KLWOBURRHQOZFG-UHFFFAOYSA-N	1	0	365.231	1.518	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)c1cnn2c1OCCC2)C(C)C	ZINC000416470444	679633571	/nfs/dbraw/zinc/63/35/71/679633571.db2.gz	HFRRGHSPDRXROQ-OAHLLOKOSA-N	1	0	368.503	1.643	20	30		FDEDRO
C=CCSCCNC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000417328717	679758083	/nfs/dbraw/zinc/75/80/83/679758083.db2.gz	GXOFATLCDXJUFF-GJZGRUSLSA-N	1	0	354.520	1.195	20	30		FDEDRO
C=CCSCCNC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000417328709	679758089	/nfs/dbraw/zinc/75/80/89/679758089.db2.gz	GXOFATLCDXJUFF-CABCVRRESA-N	1	0	354.520	1.195	20	30		FDEDRO
C=C(CC)CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1	ZINC000418885751	680148964	/nfs/dbraw/zinc/14/89/64/680148964.db2.gz	JIKMDJWUVAUJFJ-BBRMVZONSA-N	1	0	351.397	1.609	20	30		FDEDRO
C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCSCc1ccccc1C#N	ZINC000418923812	680154395	/nfs/dbraw/zinc/15/43/95/680154395.db2.gz	OGUUSXVWAJGPCK-MRXNPFEDSA-N	1	0	360.483	1.118	20	30		FDEDRO
[NH3+]C1(CNC(=O)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCC1	ZINC000419109481	680191817	/nfs/dbraw/zinc/19/18/17/680191817.db2.gz	HMESJGBKWIANSL-UHFFFAOYSA-N	1	0	353.344	1.171	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1	ZINC000420096213	680400078	/nfs/dbraw/zinc/40/00/78/680400078.db2.gz	KNOWLVRJWQIBSF-CJNGLKHVSA-N	1	0	351.397	1.561	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1	ZINC000420096218	680400133	/nfs/dbraw/zinc/40/01/33/680400133.db2.gz	KNOWLVRJWQIBSF-XJKSGUPXSA-N	1	0	351.397	1.561	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C[NH3+])cc1Br	ZINC000420419554	680443518	/nfs/dbraw/zinc/44/35/18/680443518.db2.gz	MUVQMABJJROHQS-LLVKDONJSA-N	1	0	358.261	1.823	20	30		FDEDRO
C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cccc(Br)c1C#N	ZINC000420441969	680453311	/nfs/dbraw/zinc/45/33/11/680453311.db2.gz	DHNWSMLKYOKNMM-JTQLQIEISA-N	1	0	358.261	1.693	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1Br	ZINC000420448694	680456556	/nfs/dbraw/zinc/45/65/56/680456556.db2.gz	JOZSRNREMWFSMX-MFKMUULPSA-N	1	0	358.261	1.726	20	30		FDEDRO
CC[C@@H](CS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)OC	ZINC000420655644	680502553	/nfs/dbraw/zinc/50/25/53/680502553.db2.gz	PDZUEWNNUMCKEO-KRWDZBQOSA-N	1	0	353.488	1.677	20	30		FDEDRO
CC[C@H](CS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)OC	ZINC000420655645	680502741	/nfs/dbraw/zinc/50/27/41/680502741.db2.gz	PDZUEWNNUMCKEO-QGZVFWFLSA-N	1	0	353.488	1.677	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000474160109	685375985	/nfs/dbraw/zinc/37/59/85/685375985.db2.gz	LVACERBLYPKZOT-HNNXBMFYSA-N	1	0	352.460	1.075	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC2CCC([NH+](C)C)CC2)c1	ZINC000422005541	680684250	/nfs/dbraw/zinc/68/42/50/680684250.db2.gz	JJLXMXXKBHHXHM-UHFFFAOYSA-N	1	0	365.499	1.754	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c1	ZINC000425216180	680886812	/nfs/dbraw/zinc/88/68/12/680886812.db2.gz	PSVKNQKTKVSVKB-DOTOQJQBSA-N	1	0	363.483	1.317	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](C1CCOCC1)C1(CO)CCC1	ZINC000425540757	680908590	/nfs/dbraw/zinc/90/85/90/680908590.db2.gz	LYFRRWNVXAEILZ-ZWKOTPCHSA-N	1	0	351.491	1.588	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1	ZINC000425866981	680937578	/nfs/dbraw/zinc/93/75/78/680937578.db2.gz	GJIMCFNVAFLKSH-RDJZCZTQSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1	ZINC000425879911	680938585	/nfs/dbraw/zinc/93/85/85/680938585.db2.gz	JCTRBEORCDJHJB-MTSZKFMLSA-N	1	0	351.491	1.176	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCCC[N@H+]1CC(C)C	ZINC000425880876	680938778	/nfs/dbraw/zinc/93/87/78/680938778.db2.gz	GRBBKKOJHJSXSG-BBWFWOEESA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cc1	ZINC000430706256	681091946	/nfs/dbraw/zinc/09/19/46/681091946.db2.gz	CVRDVIDTICTKOG-INIZCTEOSA-N	1	0	365.499	1.659	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC([C@H](O)C(=O)NC2CC2)CC1	ZINC000434716650	681515729	/nfs/dbraw/zinc/51/57/29/681515729.db2.gz	GUGYZQVGDLSZDO-PBHICJAKSA-N	1	0	351.491	1.151	20	30		FDEDRO
CCOC(=O)[C@]1(COC)CCC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1	ZINC000439469218	681930290	/nfs/dbraw/zinc/93/02/90/681930290.db2.gz	MHRLCLLZSNXWLV-RHSMWYFYSA-N	1	0	351.447	1.229	20	30		FDEDRO
C[N@@H+]1CCN(CCNS(=O)(=O)Cc2cc(C#N)ccc2F)CC1(C)C	ZINC000443097270	682233927	/nfs/dbraw/zinc/23/39/27/682233927.db2.gz	KYZXTXQWMDSWMG-UHFFFAOYSA-N	1	0	368.478	1.143	20	30		FDEDRO
C[NH+](C)C[C@](C)(O)CNC(=O)COc1cccc(Br)c1C#N	ZINC000450206066	682744148	/nfs/dbraw/zinc/74/41/48/682744148.db2.gz	SDFWAWBDOMTKNT-OAHLLOKOSA-N	1	0	370.247	1.128	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)CC1(CC#N)CC1	ZINC000451131155	682825350	/nfs/dbraw/zinc/82/53/50/682825350.db2.gz	QAPYKHAAASZKEY-UHFFFAOYSA-N	1	0	360.483	1.946	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000451164809	682832729	/nfs/dbraw/zinc/83/27/29/682832729.db2.gz	LEPCFGYLMMFELV-INIZCTEOSA-N	1	0	355.435	1.228	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1	ZINC000451295025	682857744	/nfs/dbraw/zinc/85/77/44/682857744.db2.gz	LTGKMZPFZVTTRN-ZDUSSCGKSA-N	1	0	359.348	1.730	20	30		FDEDRO
N#CCc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c(Cl)c1	ZINC000453663076	683179824	/nfs/dbraw/zinc/17/98/24/683179824.db2.gz	SXANZYJULFNHSA-AWEZNQCLSA-N	1	0	358.829	1.817	20	30		FDEDRO
CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000453721480	683196131	/nfs/dbraw/zinc/19/61/31/683196131.db2.gz	BKROZSUYPVTVEN-UHFFFAOYSA-N	1	0	363.849	1.880	20	30		FDEDRO
C=C(C)[C@H]1OCCC[C@H]1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C	ZINC000457522508	683760567	/nfs/dbraw/zinc/76/05/67/683760567.db2.gz	IKFGIHLHOLZPSN-BRWVUGGUSA-N	1	0	351.491	1.417	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(C(=O)NCC(C)(C)CC#N)CC1	ZINC000459237009	684384698	/nfs/dbraw/zinc/38/46/98/684384698.db2.gz	MGAKACWBQIRXSN-UHFFFAOYSA-N	1	0	354.495	1.695	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000460060581	684514456	/nfs/dbraw/zinc/51/44/56/684514456.db2.gz	NZORCCHCCFPVER-HOTGVXAUSA-N	1	0	351.491	1.369	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1	ZINC000464195073	684727304	/nfs/dbraw/zinc/72/73/04/684727304.db2.gz	OZWMIMYWUKBQIA-JSGCOSHPSA-N	1	0	355.485	1.233	20	30		FDEDRO
CC[NH+](CC)CCOC1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1	ZINC000466899469	684832645	/nfs/dbraw/zinc/83/26/45/684832645.db2.gz	JQPDCKPAUARDTM-UHFFFAOYSA-N	1	0	366.487	1.465	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(CCC)CC[NH+](C)C)c1	ZINC000478453243	685906353	/nfs/dbraw/zinc/90/63/53/685906353.db2.gz	BWMVKSBPALFNLX-UHFFFAOYSA-N	1	0	353.488	1.565	20	30		FDEDRO
Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]Cc1ccc(C#N)cc1	ZINC000482517373	686413588	/nfs/dbraw/zinc/41/35/88/686413588.db2.gz	YVYOIERRLGDTQV-UHFFFAOYSA-N	1	0	352.441	1.097	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCOC[C@@H]2OCCOC)CC1	ZINC000486197282	686848888	/nfs/dbraw/zinc/84/88/88/686848888.db2.gz	XRHGXPOAESXHOA-SJORKVTESA-N	1	0	355.479	1.147	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000487782668	687001458	/nfs/dbraw/zinc/00/14/58/687001458.db2.gz	NKWDAAQVZCVVOG-DLBZAZTESA-N	1	0	351.491	1.418	20	30		FDEDRO
C=CCCCS(=O)(=O)NCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000489109636	687078319	/nfs/dbraw/zinc/07/83/19/687078319.db2.gz	KZTRMXLSSIJBLG-UHFFFAOYSA-N	1	0	351.516	1.690	20	30		FDEDRO
CC(C)N1C(=O)C[C@H]([NH2+]CC(=O)NCC#N)[C@H]1c1ccc(Cl)c(F)c1	ZINC000494214263	687505991	/nfs/dbraw/zinc/50/59/91/687505991.db2.gz	ZKZCHGLMSPKZCI-WMLDXEAASA-N	1	0	366.824	1.759	20	30		FDEDRO
C[NH+]1CCC(CCO)(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1	ZINC000498199776	687762110	/nfs/dbraw/zinc/76/21/10/687762110.db2.gz	ZAPUJUAASYAUCV-UHFFFAOYSA-N	1	0	356.348	1.549	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C[NH+](CC)CC)c1	ZINC000501238753	688164609	/nfs/dbraw/zinc/16/46/09/688164609.db2.gz	ZKPYTYKUEUWRNW-AWEZNQCLSA-N	1	0	353.488	1.611	20	30		FDEDRO
CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1cccc(C#N)c1	ZINC000510775203	689420054	/nfs/dbraw/zinc/42/00/54/689420054.db2.gz	CZVCTHAYJJGIRY-CVEARBPZSA-N	1	0	364.471	1.337	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1	ZINC000511064595	689457300	/nfs/dbraw/zinc/45/73/00/689457300.db2.gz	LCMLYPYLZJYQED-JKSUJKDBSA-N	1	0	359.536	1.403	20	30		FDEDRO
CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000511328099	689507948	/nfs/dbraw/zinc/50/79/48/689507948.db2.gz	WBSZIWQTKZQDBP-UHFFFAOYSA-N	1	0	366.443	1.963	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCN2S(=O)(=O)CCCC)CC1	ZINC000513720023	689695040	/nfs/dbraw/zinc/69/50/40/689695040.db2.gz	GGWJUFUSPFBCNH-INIZCTEOSA-N	1	0	357.520	1.347	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O	ZINC000514933682	689788213	/nfs/dbraw/zinc/78/82/13/689788213.db2.gz	VQFXHQZTSJSXLW-DZGCQCFKSA-N	1	0	350.850	1.241	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCO[C@]3(CCSC3)C2)nc1	ZINC000517230789	690047546	/nfs/dbraw/zinc/04/75/46/690047546.db2.gz	IGZBZDQHQSDQPT-GOEBONIOSA-N	1	0	367.496	1.371	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1C(=O)NC1CC[NH+](CC(=O)N(CC)CC)CC1	ZINC000517244194	690049429	/nfs/dbraw/zinc/04/94/29/690049429.db2.gz	BISGCEHIUXOBQD-SJLPKXTDSA-N	1	0	351.491	1.417	20	30		FDEDRO
N#C[C@H](CO)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1	ZINC000529465406	694782412	/nfs/dbraw/zinc/78/24/12/694782412.db2.gz	AMQGDBNCXIXFQL-BZUAXINKSA-N	1	0	356.451	1.359	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(CCC(=O)Nc2sccc2C#N)CC1	ZINC000532976805	694898484	/nfs/dbraw/zinc/89/84/84/694898484.db2.gz	PMFCJERYBPHMBT-UHFFFAOYSA-N	1	0	350.488	1.727	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](CF)c2ccc(F)cc2)CC1	ZINC000636677333	695195531	/nfs/dbraw/zinc/19/55/31/695195531.db2.gz	RXPOIRBPQXYLST-MRXNPFEDSA-N	1	0	351.397	1.719	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)cc1	ZINC000639027097	695421604	/nfs/dbraw/zinc/42/16/04/695421604.db2.gz	JVKJBFMEBNNQQY-DOTOQJQBSA-N	1	0	363.483	1.365	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC2([NH+](C)C)CC2)cc1	ZINC000639541137	695468891	/nfs/dbraw/zinc/46/88/91/695468891.db2.gz	JPTYQPKNPFVSME-UHFFFAOYSA-N	1	0	366.487	1.709	20	30		FDEDRO
COc1cc(C(F)(F)N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)c(C#N)c(Cl)n1	ZINC001164404583	718852415	/nfs/dbraw/zinc/85/24/15/718852415.db2.gz	KJSXNPBQHVHKTJ-OTYXRUKQSA-N	1	0	358.776	1.178	20	30		FDEDRO
N#Cc1nccnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC001164747492	720811158	/nfs/dbraw/zinc/81/11/58/720811158.db2.gz	OEVXPACAVBCJPU-XYJFISCASA-N	1	0	364.457	1.319	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3nc4c(cc3C#N)COCC4)CC[C@@H]2C1	ZINC001164856612	720884623	/nfs/dbraw/zinc/88/46/23/720884623.db2.gz	ILOJPULBDNCOSX-BEFAXECRSA-N	1	0	372.469	1.199	20	30		FDEDRO
CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cnc(C#N)c(C#N)n1)[C@@H]2C	ZINC001164864586	721009074	/nfs/dbraw/zinc/00/90/74/721009074.db2.gz	YHEFYOMXBZDRFK-CYBMUJFWSA-N	1	0	350.430	1.838	20	30		FDEDRO
N#Cc1cc(F)cnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164870947	721060001	/nfs/dbraw/zinc/06/00/01/721060001.db2.gz	XNLJHFKOXHVJFH-MSOLQXFVSA-N	1	0	353.401	1.967	20	30		FDEDRO
Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncc5c(C#N)c[nH]c5n4)C[C@H]3C2)cn1	ZINC001164762546	721177363	/nfs/dbraw/zinc/17/73/63/721177363.db2.gz	CSUJJNPJOXUHBS-GOEBONIOSA-N	1	0	362.441	1.521	20	30		FDEDRO
CCOC(=O)c1cc(C)nc(N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c1C#N	ZINC001164928080	721856663	/nfs/dbraw/zinc/85/66/63/721856663.db2.gz	NGGRUFXGLNKSRR-ROUUACIJSA-N	1	0	371.485	1.653	20	30		FDEDRO
Cc1nc(C#N)cnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164972510	722135518	/nfs/dbraw/zinc/13/55/18/722135518.db2.gz	AATNKNLIOAXLRE-MJGOQNOKSA-N	1	0	364.453	1.779	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)[C@H](C[NH2+]Cc2ccc(C#N)s2)C1	ZINC001087206266	782433982	/nfs/dbraw/zinc/43/39/82/782433982.db2.gz	HQYQECLXNAHPOA-XUJVJEKNSA-N	1	0	361.471	1.018	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)C[N@H+]4CC[C@H](C)C4)[C@@H]3C2)cc1	ZINC001022724004	782641064	/nfs/dbraw/zinc/64/10/64/782641064.db2.gz	OVGUULTVPDTVAB-FFZOFVMBSA-N	1	0	365.477	1.683	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3c(C)nn(C(C)C)c3C)[C@H]2C1	ZINC001083244791	782719289	/nfs/dbraw/zinc/71/92/89/782719289.db2.gz	KGXNEHFKZGKFEL-RBUKOAKNSA-N	1	0	358.486	1.558	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1	ZINC000969220847	769461340	/nfs/dbraw/zinc/46/13/40/769461340.db2.gz	FBWWCCMORHXBAO-GJYPPUQNSA-N	1	0	356.426	1.238	20	30		FDEDRO
C[NH+]1CCC(CNc2ncc(C#N)cc2[N+](=O)[O-])(N2CCOCC2)CC1	ZINC000413484674	782757570	/nfs/dbraw/zinc/75/75/70/782757570.db2.gz	UENZJHMQJWJVMT-UHFFFAOYSA-N	1	0	360.418	1.070	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(COC)CCC1)C2	ZINC001112474866	769798982	/nfs/dbraw/zinc/79/89/82/769798982.db2.gz	LPOZAMDTIDHCJN-JXFKEZNVSA-N	1	0	363.502	1.324	20	30		FDEDRO
C=CC[C@H](CO)C[NH2+]Cc1cn(C)nc1CN1C(=O)c2ccccc2C1=O	ZINC000657426733	782795039	/nfs/dbraw/zinc/79/50/39/782795039.db2.gz	JPUDGCOIESVNDQ-AWEZNQCLSA-N	1	0	368.437	1.491	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)N2CCC(C)CC2)C1	ZINC001022736808	782797514	/nfs/dbraw/zinc/79/75/14/782797514.db2.gz	CXQPPJXCNSZCHH-SFFUCWETSA-N	1	0	363.502	1.461	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N1CCO[C@@H]2CN(Cc3cccc(C#N)c3)C[C@@H]21	ZINC001083193430	771095848	/nfs/dbraw/zinc/09/58/48/771095848.db2.gz	RLTFDTBQUMSMSV-LSTHTHJFSA-N	1	0	368.481	1.454	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N1CCO[C@@H]2CN(CC#Cc3ccccc3)C[C@@H]21	ZINC001083193435	771096853	/nfs/dbraw/zinc/09/68/53/771096853.db2.gz	RPFJSVQIHHJQCO-SESVDKBCSA-N	1	0	367.493	1.434	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NCc2nnc(CCC)s2)C1	ZINC000970017570	771206870	/nfs/dbraw/zinc/20/68/70/771206870.db2.gz	WGQZCTZOHUKUNC-MCIONIFRSA-N	1	0	350.488	1.772	20	30		FDEDRO
C=CCN(Cc1ccccc1)c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2	ZINC001167122390	771403042	/nfs/dbraw/zinc/40/30/42/771403042.db2.gz	FDLINGBTVCVCCT-UHFFFAOYSA-N	1	0	372.494	1.761	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2nn(C)cc2Cl)C[C@H]1C	ZINC001104233279	771442634	/nfs/dbraw/zinc/44/26/34/771442634.db2.gz	MNAHSQOBBGUACW-ZIAGYGMSSA-N	1	0	352.866	1.411	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](O)COCCOC)C1	ZINC001104239708	771607306	/nfs/dbraw/zinc/60/73/06/771607306.db2.gz	LYDVEIAVCRSYKL-KURKYZTESA-N	1	0	370.534	1.687	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](O)Cn2cccn2)C1	ZINC001104239980	771610217	/nfs/dbraw/zinc/61/02/17/771610217.db2.gz	ZXROQPVUSKDINJ-KURKYZTESA-N	1	0	362.518	1.921	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1CC[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001104241094	771634963	/nfs/dbraw/zinc/63/49/63/771634963.db2.gz	KBTWEWMNJFQNLN-RHSMWYFYSA-N	1	0	370.432	1.563	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1	ZINC000430378873	771718097	/nfs/dbraw/zinc/71/80/97/771718097.db2.gz	NEUUCNVYNFMZCP-KURKYZTESA-N	1	0	363.502	1.274	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000275495742	771847963	/nfs/dbraw/zinc/84/79/63/771847963.db2.gz	RQWCISFRPSCGAY-HXUWFJFHSA-N	1	0	361.486	1.823	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnc(Cl)n2C)C[C@H]1C	ZINC001104417404	782973665	/nfs/dbraw/zinc/97/36/65/782973665.db2.gz	NHTKZAKGAPVFRE-ZIAGYGMSSA-N	1	0	352.866	1.411	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)[C@H]4CC=CCC4)[C@@H]3C2)CC1	ZINC001021059669	772061715	/nfs/dbraw/zinc/06/17/15/772061715.db2.gz	HJRRCBWCTYNAOP-YSIASYRMSA-N	1	0	369.509	1.747	20	30		FDEDRO
C[C@@H]1CCN(C(=O)Cn2cnnn2)[C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC001087118019	772676982	/nfs/dbraw/zinc/67/69/82/772676982.db2.gz	RZDLRJAJOQTPBE-CJNGLKHVSA-N	1	0	371.420	1.101	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C[C@@H](O)Cn2cccn2)C1	ZINC001211549348	783043409	/nfs/dbraw/zinc/04/34/09/783043409.db2.gz	GGWRLQAZBIKRJY-HSALFYBXSA-N	1	0	368.481	1.794	20	30		FDEDRO
CN1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1(C)C	ZINC000891008446	772815899	/nfs/dbraw/zinc/81/58/99/772815899.db2.gz	TXCUBYDGDAPLTB-UHFFFAOYSA-N	1	0	358.442	1.860	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1CC[NH2+]CC#Cc1ccccc1	ZINC001104287235	773049267	/nfs/dbraw/zinc/04/92/67/773049267.db2.gz	YSAYYAUBZQYPBR-MISYRCLQSA-N	1	0	367.493	1.639	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1CC[NH2+]CC#Cc1ccccc1	ZINC001104287236	773049337	/nfs/dbraw/zinc/04/93/37/773049337.db2.gz	YSAYYAUBZQYPBR-YZGWKJHDSA-N	1	0	367.493	1.639	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@H](OCC)C(C)C)C[C@H]1C	ZINC001104287995	773076085	/nfs/dbraw/zinc/07/60/85/773076085.db2.gz	PCHGPHAUMHIEPY-KURKYZTESA-N	1	0	365.518	1.261	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1Cc3cncn3C(=O)N1)C2	ZINC001112487842	773149006	/nfs/dbraw/zinc/14/90/06/773149006.db2.gz	MFDZAPPKICOTBU-QOKNQOGYSA-N	1	0	357.458	1.160	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1ccnc(C)n1)C2	ZINC001112488127	773158296	/nfs/dbraw/zinc/15/82/96/773158296.db2.gz	PQHUVYVBEZEHTP-RXVVDRJESA-N	1	0	370.497	1.586	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1	ZINC001021403556	773205120	/nfs/dbraw/zinc/20/51/20/773205120.db2.gz	VXMGHUXFFNBOFX-QILLFSRXSA-N	1	0	369.469	1.434	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1)[NH+](C)C	ZINC001021410940	773232968	/nfs/dbraw/zinc/23/29/68/773232968.db2.gz	CJRVFJWHMSZHOF-XKQJLSEDSA-N	1	0	357.458	1.145	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3ccc(F)c(Cl)c3)[C@H]2C1	ZINC001083204486	773250291	/nfs/dbraw/zinc/25/02/91/773250291.db2.gz	SBBQZQCAFADXCU-DLBZAZTESA-N	1	0	350.821	1.957	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCCO[C@@H]2c2cnn(C)c2)CC1	ZINC000275709252	773254567	/nfs/dbraw/zinc/25/45/67/773254567.db2.gz	VBFGNAJSABGRJH-ZWKOTPCHSA-N	1	0	361.490	1.980	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3CN(C(=O)CC[NH+]4CCCCC4)C[C@H]32)c[nH]1	ZINC001021429524	773308896	/nfs/dbraw/zinc/30/88/96/773308896.db2.gz	MPEPVPJFDIWKNQ-MAUKXSAKSA-N	1	0	369.469	1.435	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1	ZINC001021428853	773310555	/nfs/dbraw/zinc/31/05/55/773310555.db2.gz	CJSNPKVXWJYDSW-BMGDILEWSA-N	1	0	369.469	1.432	20	30		FDEDRO
C#CC[NH+]1CCC(c2nc(-c3ccccc3S(=O)(=O)N(C)C)no2)CC1	ZINC000277725497	783087660	/nfs/dbraw/zinc/08/76/60/783087660.db2.gz	BBIHULDNCARFJE-UHFFFAOYSA-N	1	0	374.466	1.800	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(CCF)CC1)C2	ZINC001112489130	773355497	/nfs/dbraw/zinc/35/54/97/773355497.db2.gz	MUESUDLUYRRAOC-KXBFYZLASA-N	1	0	351.466	1.647	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cccc3c2oc(=O)n3C)C[C@H]1C	ZINC001104289030	773484439	/nfs/dbraw/zinc/48/44/39/773484439.db2.gz	CSFQCKMZTGUTQF-HUUCEWRRSA-N	1	0	355.438	1.843	20	30		FDEDRO
Cn1cnc2cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)ccc21	ZINC000275752583	773600391	/nfs/dbraw/zinc/60/03/91/773600391.db2.gz	BJFWTONBPWDBPT-UHFFFAOYSA-N	1	0	356.430	1.206	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)C4CC(C)(C)C4)[C@@H]3C2)CC1	ZINC001021527531	773723733	/nfs/dbraw/zinc/72/37/33/773723733.db2.gz	AZEICRBOONFLNJ-PKOBYXMFSA-N	1	0	371.525	1.827	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn(C)nc1[C@H]1CCOC1)C2	ZINC001112494387	773936220	/nfs/dbraw/zinc/93/62/20/773936220.db2.gz	RVPOUDWWCBLCOL-FTRWYGJKSA-N	1	0	356.470	1.389	20	30		FDEDRO
C#CCCCc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CC(=C)C	ZINC000909321002	773992079	/nfs/dbraw/zinc/99/20/79/773992079.db2.gz	KWJOVSZCQSWXML-GOSISDBHSA-N	1	0	357.502	1.969	20	30		FDEDRO
CC(C)c1nccn1CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]21	ZINC001021628803	774300180	/nfs/dbraw/zinc/30/01/80/774300180.db2.gz	FXSCKAFZRSGRKT-HRCADAONSA-N	1	0	357.458	1.616	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CCC(=O)NC3(C)C)cn2)CC1	ZINC000328739140	774380801	/nfs/dbraw/zinc/38/08/01/774380801.db2.gz	LCFCBVAYKORJPT-OAHLLOKOSA-N	1	0	374.489	1.735	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C)c(C)n2)C[C@H]1C	ZINC001104421408	783174548	/nfs/dbraw/zinc/17/45/48/783174548.db2.gz	RMNBUMCIAHNFMK-BPQIPLTHSA-N	1	0	370.497	1.524	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CC(N)=O)cc1C#N	ZINC001087138261	774798433	/nfs/dbraw/zinc/79/84/33/774798433.db2.gz	DNLAWDBGUUXSMV-CJNGLKHVSA-N	1	0	358.442	1.159	20	30		FDEDRO
CC[NH+]=C(NCCNC(=O)c1ccccc1F)N1CC[C@@]2(CCOC2)C1	ZINC000261659704	774799159	/nfs/dbraw/zinc/79/91/59/774799159.db2.gz	AOEJYFRZZDZBRI-LJQANCHMSA-N	1	0	362.449	1.633	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1	ZINC000276023069	775255975	/nfs/dbraw/zinc/25/59/75/775255975.db2.gz	KTURMMZNQBQTJQ-MAUKXSAKSA-N	1	0	357.454	1.826	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2onc(C)c2C)C[C@H]1C	ZINC001104335433	775503584	/nfs/dbraw/zinc/50/35/84/775503584.db2.gz	YSDDFMMQKQBAIS-UHOFOFEASA-N	1	0	362.474	1.670	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1	ZINC000276070406	775659517	/nfs/dbraw/zinc/65/95/17/775659517.db2.gz	LKWWAEKAKHMYIK-ZDUSSCGKSA-N	1	0	359.401	1.543	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cncc(N4CCCC4)n3)[C@H]2C1	ZINC001083215312	775706494	/nfs/dbraw/zinc/70/64/94/775706494.db2.gz	RSXNVYODEPHNBO-DLBZAZTESA-N	1	0	357.458	1.178	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC23CC3)C[C@H]1C	ZINC001104724261	790394506	/nfs/dbraw/zinc/39/45/06/790394506.db2.gz	OFNHCFBDKFWEMJ-ZACQAIPSSA-N	1	0	360.502	1.623	20	30		FDEDRO
N#CCCCOc1cccnc1NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000276106663	775888371	/nfs/dbraw/zinc/88/83/71/775888371.db2.gz	TVKLQCCLMXTZLV-INIZCTEOSA-N	1	0	373.457	1.950	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3sc(N(C)C)nc3C)[C@H]2C1	ZINC001083216055	775934283	/nfs/dbraw/zinc/93/42/83/775934283.db2.gz	GCOMIPQZQYAWQT-UONOGXRCSA-N	1	0	350.488	1.619	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H](C[NH2+]C[C@@H]2CCc3ncnn32)C1	ZINC001087152187	776064989	/nfs/dbraw/zinc/06/49/89/776064989.db2.gz	JDGJDTLPJCFVKG-COXVUDFISA-N	1	0	367.457	1.496	20	30		FDEDRO
CN(C(=[NH2+])NCc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1)C1CC1	ZINC000261897087	776568248	/nfs/dbraw/zinc/56/82/48/776568248.db2.gz	VBQHDGGLYJQRCA-LJQANCHMSA-N	1	0	355.442	1.820	20	30		FDEDRO
C=CCn1cc(C(=O)N2CCO[C@@H]3C[N@H+](CCC4=CCCCC4)C[C@@H]32)nn1	ZINC001083217663	776584509	/nfs/dbraw/zinc/58/45/09/776584509.db2.gz	JMYDKBPTPDYLKV-RBUKOAKNSA-N	1	0	371.485	1.880	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)C2=CCOCC2)C1=O	ZINC001087155022	776972426	/nfs/dbraw/zinc/97/24/26/776972426.db2.gz	XMYITOYIDKWWFF-NJAFHUGGSA-N	1	0	361.486	1.337	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)CCC1	ZINC000933301241	777042892	/nfs/dbraw/zinc/04/28/92/777042892.db2.gz	PKARBAGZFANQRY-CYBMUJFWSA-N	1	0	361.467	1.147	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2cn(C)nn2)C1	ZINC001075421065	777055514	/nfs/dbraw/zinc/05/55/14/777055514.db2.gz	JEFHXQXKBHGCIX-NVXWUHKLSA-N	1	0	355.417	1.423	20	30		FDEDRO
C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)cc1	ZINC000160976846	777382112	/nfs/dbraw/zinc/38/21/12/777382112.db2.gz	HLKKRSJHAZYIBF-OAHLLOKOSA-N	1	0	365.433	1.765	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1ccccc1C(N)=O)C2	ZINC001112506527	777782217	/nfs/dbraw/zinc/78/22/17/777782217.db2.gz	QYURZUPKJMBADB-UWJYYQICSA-N	1	0	353.466	1.570	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cccc3ncn(C)c32)C[C@H]1C	ZINC001104365600	777794571	/nfs/dbraw/zinc/79/45/71/777794571.db2.gz	QUPCSBFBRWTNLE-IAGOWNOFSA-N	1	0	368.481	1.911	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@](C)(CO)Cc1ccc(Br)cc1	ZINC000933443632	778141300	/nfs/dbraw/zinc/14/13/00/778141300.db2.gz	YLRBPFLRHDRXLM-INIZCTEOSA-N	1	0	353.260	1.472	20	30		FDEDRO
Cn1cncc1CCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000276572723	778234214	/nfs/dbraw/zinc/23/42/14/778234214.db2.gz	LITAHPCHWGKUHT-UHFFFAOYSA-N	1	0	351.454	1.959	20	30		FDEDRO
C=CC[C@@H](NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccncc1	ZINC000891563209	778340412	/nfs/dbraw/zinc/34/04/12/778340412.db2.gz	AZQJMBNMYZVBSR-HZMVEIRTSA-N	1	0	371.441	1.275	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(C(N)=O)cc1)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000261962693	778369143	/nfs/dbraw/zinc/36/91/43/778369143.db2.gz	PLIOZMVMUOCZOA-UHFFFAOYSA-N	1	0	373.501	1.582	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCC(C)C	ZINC001111489788	778892126	/nfs/dbraw/zinc/89/21/26/778892126.db2.gz	KYSUISDLUYMYAP-TVFCKZIOSA-N	1	0	354.491	1.334	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CN(C)C(=O)N1)C2	ZINC001112507718	778988098	/nfs/dbraw/zinc/98/80/98/778988098.db2.gz	WXISXUVGIKZKLS-ZWOKBUDYSA-N	1	0	362.518	1.975	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1	ZINC000657060564	779100540	/nfs/dbraw/zinc/10/05/40/779100540.db2.gz	IMAHMXJKMXMGBL-OAHLLOKOSA-N	1	0	365.499	1.754	20	30		FDEDRO
COc1ccc(CNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)cc1C#N	ZINC000891702441	779119266	/nfs/dbraw/zinc/11/92/66/779119266.db2.gz	VSRRAENIWKHDNP-MRXNPFEDSA-N	1	0	358.442	1.525	20	30		FDEDRO
Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(=O)NCC#N)C2)o1	ZINC001211522670	779122015	/nfs/dbraw/zinc/12/20/15/779122015.db2.gz	YSIPZIMWSPWIEV-DLBZAZTESA-N	1	0	366.421	1.426	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4CCCC[N@H+]4C)C[C@H]32)cn1	ZINC001022294615	779195170	/nfs/dbraw/zinc/19/51/70/779195170.db2.gz	NVJGXWJOCYJTTI-YTQUADARSA-N	1	0	366.465	1.220	20	30		FDEDRO
CC(C)(C#N)CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1	ZINC000510700731	779577270	/nfs/dbraw/zinc/57/72/70/779577270.db2.gz	OJDINSAZYUQWHO-UHFFFAOYSA-N	1	0	374.510	1.882	20	30		FDEDRO
N#Cc1ccc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c(CO)c1	ZINC000891831696	779628821	/nfs/dbraw/zinc/62/88/21/779628821.db2.gz	ZXUGLSPSUIMNTC-UHFFFAOYSA-N	1	0	370.497	1.869	20	30		FDEDRO
CCCc1c(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C2)cnn1C	ZINC001104381898	779640416	/nfs/dbraw/zinc/64/04/16/779640416.db2.gz	LQLCUBKGUXWCBI-IAGOWNOFSA-N	1	0	360.502	1.710	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2sccc2-n2cnnn2)C[C@H]1C	ZINC001104384650	779711694	/nfs/dbraw/zinc/71/16/94/779711694.db2.gz	BZTYJKNEVSRIHV-ZIAGYGMSSA-N	1	0	358.471	1.435	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C3CCOCC3)C2)C1=O	ZINC001022420323	780001289	/nfs/dbraw/zinc/00/12/89/780001289.db2.gz	QDCFMGRNGQURDJ-RZFLPCETSA-N	1	0	361.486	1.073	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](CCC)OC)C2	ZINC001112508125	780140416	/nfs/dbraw/zinc/14/04/16/780140416.db2.gz	OUQKHUCOIAXUHM-BXWFABGCSA-N	1	0	351.491	1.322	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cn[nH]n2)[C@H](C[NH2+]Cc2cc(C#N)ccc2F)C1	ZINC001087184973	780365681	/nfs/dbraw/zinc/36/56/81/780365681.db2.gz	NATNXRGZJCYYRI-DOMZBBRYSA-N	1	0	356.405	1.846	20	30		FDEDRO
C[NH+](C)[C@@H]1CCCN(CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1	ZINC000277056904	780691412	/nfs/dbraw/zinc/69/14/12/780691412.db2.gz	CVKRCIRCBWJCOF-GDBMZVCRSA-N	1	0	367.453	1.928	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@H]2O)CC1	ZINC001025491425	790829488	/nfs/dbraw/zinc/82/94/88/790829488.db2.gz	ZOKSNNVDEQJTCT-KZNAEPCWSA-N	1	0	363.502	1.294	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cn3ccc(C)cc3n2)C[C@H]1C	ZINC001104393998	780951972	/nfs/dbraw/zinc/95/19/72/780951972.db2.gz	KXOJUKUNBDVIBT-QZTJIDSGSA-N	1	0	368.481	1.980	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#C)C1	ZINC001112508397	781004244	/nfs/dbraw/zinc/00/42/44/781004244.db2.gz	DGHLLACNEMPTDP-RXVVDRJESA-N	1	0	357.498	1.538	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@H](C[NH3+])C3CCCCC3)CC2)cn1	ZINC000892009369	781198842	/nfs/dbraw/zinc/19/88/42/781198842.db2.gz	ZRVMUUNZOFPANP-GOSISDBHSA-N	1	0	356.474	1.692	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3CN(C(=O)C[C@H]4CC[N@@H+](C)C4)C[C@H]32)c1	ZINC001022634689	781689725	/nfs/dbraw/zinc/68/97/25/781689725.db2.gz	CSTKUXDTXOPJKN-ZIFCJYIRSA-N	1	0	366.465	1.078	20	30		FDEDRO
CC[C@H]([NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@H]1c1ccccc1)C(N)=O	ZINC001211537873	781762941	/nfs/dbraw/zinc/76/29/41/781762941.db2.gz	GKDLWZJYOIKCHB-HRCADAONSA-N	1	0	360.483	1.091	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)CC1	ZINC001075454066	783475910	/nfs/dbraw/zinc/47/59/10/783475910.db2.gz	KLEOQPVPPGWJTH-WSTZPKSXSA-N	1	0	361.530	1.679	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3coc(CC)n3)C[C@H]21	ZINC000972834637	783901174	/nfs/dbraw/zinc/90/11/74/783901174.db2.gz	CNIAMYANRXNOBA-HYVNUMGLSA-N	1	0	370.453	1.008	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3ocnc3CC)C[C@H]21	ZINC000972835111	783902809	/nfs/dbraw/zinc/90/28/09/783902809.db2.gz	OHLCTYUZPAPODI-HYVNUMGLSA-N	1	0	370.453	1.008	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001024158072	784034429	/nfs/dbraw/zinc/03/44/29/784034429.db2.gz	KBQFPGOYCBCUIB-IPELMVKDSA-N	1	0	368.481	1.611	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(OC)nn2)C1	ZINC001024164808	784157133	/nfs/dbraw/zinc/15/71/33/784157133.db2.gz	HVTDKVHDKMCIFW-OIISXLGYSA-N	1	0	360.458	1.405	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ccnc(OC)n2)C1	ZINC001024165597	784174284	/nfs/dbraw/zinc/17/42/84/784174284.db2.gz	SNFDMMJYVMAXAE-UAGQMJEPSA-N	1	0	360.458	1.405	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1	ZINC000658584173	784506837	/nfs/dbraw/zinc/50/68/37/784506837.db2.gz	VHUWJZHOUIXLSE-UHFFFAOYSA-N	1	0	364.449	1.945	20	30		FDEDRO
CN(CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(=O)NCC#CCO	ZINC000923775691	784722249	/nfs/dbraw/zinc/72/22/49/784722249.db2.gz	BIPYBNBFAFPDAJ-LJQANCHMSA-N	1	0	359.470	1.069	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(C3CC3)no2)C[C@H]1C	ZINC001104742919	791051303	/nfs/dbraw/zinc/05/13/03/791051303.db2.gz	RVIXHLKZSMOPAD-UKRRQHHQSA-N	1	0	360.458	1.542	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccnc3n[nH]nc32)C[C@H]1c1ccccc1	ZINC001211631632	784840515	/nfs/dbraw/zinc/84/05/15/784840515.db2.gz	IWRDKIYPBMQBNC-DLBZAZTESA-N	1	0	360.421	1.574	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3[nH]nc4ccccc43)[C@H]2C1	ZINC001083283352	791068668	/nfs/dbraw/zinc/06/86/68/791068668.db2.gz	WHLCKMXDXGHBGU-RBUKOAKNSA-N	1	0	354.454	1.983	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1	ZINC000658748452	785029990	/nfs/dbraw/zinc/02/99/90/785029990.db2.gz	VUSWOBQIVOFHNH-ROUUACIJSA-N	1	0	363.502	1.372	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000364517769	785086252	/nfs/dbraw/zinc/08/62/52/785086252.db2.gz	KZMKGBBCCHVZCV-NIKGAXFTSA-N	1	0	366.465	1.648	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1	ZINC000364938187	785237820	/nfs/dbraw/zinc/23/78/20/785237820.db2.gz	XGWVDBOQPFXXFR-LPHOPBHVSA-N	1	0	359.470	1.877	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CCN(c3snc(Cl)c3C#N)C2)O1	ZINC001058588234	785522483	/nfs/dbraw/zinc/52/24/83/785522483.db2.gz	VGQAAANOJWNEEJ-CKYFFXLPSA-N	1	0	369.878	1.082	20	30		FDEDRO
C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1	ZINC001024651214	785621039	/nfs/dbraw/zinc/62/10/39/785621039.db2.gz	XFIISMIOLIMEFZ-OKZBNKHCSA-N	1	0	363.502	1.703	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)CC1	ZINC001024649273	785630578	/nfs/dbraw/zinc/63/05/78/785630578.db2.gz	SGKJTJVXSQLECK-QZTJIDSGSA-N	1	0	368.437	1.382	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCC(=O)N(CCC#N)CCC#N	ZINC000376053085	785692622	/nfs/dbraw/zinc/69/26/22/785692622.db2.gz	CTKCGCZPMOYPTE-KURKYZTESA-N	1	0	361.490	1.121	20	30		FDEDRO
N#CCc1cccc(C(=O)N2CCN(CC[N@@H+]3CCCOCC3)CC2)c1	ZINC000376098592	785868598	/nfs/dbraw/zinc/86/85/98/785868598.db2.gz	BHXAPYPMOAPACA-UHFFFAOYSA-N	1	0	356.470	1.233	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](c2ccccc2)[C@H](NCc2nnnn2C)C1	ZINC001211682029	805654650	/nfs/dbraw/zinc/65/46/50/805654650.db2.gz	GBSFPDCHIFZKHW-DLBZAZTESA-N	1	0	368.485	1.897	20	30		FDEDRO
C[C@@H]1CCOCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000376149926	786012608	/nfs/dbraw/zinc/01/26/08/786012608.db2.gz	KFMYOMKVKQWKQR-VQIMIIECSA-N	1	0	374.460	1.645	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC#N)C1	ZINC001211682357	805667382	/nfs/dbraw/zinc/66/73/82/805667382.db2.gz	VZAGLXJFMHWUFZ-ZWKOTPCHSA-N	1	0	368.481	1.813	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1c1ccccc1	ZINC001211682317	805667800	/nfs/dbraw/zinc/66/78/00/805667800.db2.gz	UNZBFUIGWGYTSF-YESZJQIVSA-N	1	0	370.453	1.135	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4CC[C@@H](C)O4)[C@@H]3C2)cc1C#N	ZINC000978723863	805700001	/nfs/dbraw/zinc/70/00/01/805700001.db2.gz	SUIQOKRSXXVXNI-MFARTGTESA-N	1	0	369.465	1.928	20	30		FDEDRO
N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)O1	ZINC000376169408	786591662	/nfs/dbraw/zinc/59/16/62/786591662.db2.gz	ZBOSIFUTMVLEMW-BRSBDYLESA-N	1	0	370.453	1.231	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)NC[C@@H]2CCC[N@@H+]2CCc2ccccc2)n1	ZINC000376334786	787331545	/nfs/dbraw/zinc/33/15/45/787331545.db2.gz	SDAZPTZDGKFWMC-KRWDZBQOSA-N	1	0	367.457	1.156	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)NC(=O)NCC)C[C@H]1c1ccccc1	ZINC001211683769	805780227	/nfs/dbraw/zinc/78/02/27/805780227.db2.gz	ARHXXQYBSCGVEL-ZWKOTPCHSA-N	1	0	370.497	1.692	20	30		FDEDRO
C[C@@H](O)CC[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000245883682	805792183	/nfs/dbraw/zinc/79/21/83/805792183.db2.gz	OAYABDALDWLKSK-CRAIPNDOSA-N	1	0	362.449	1.237	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2c2nc(C(N)=O)no2)CC1	ZINC000376396717	787587515	/nfs/dbraw/zinc/58/75/15/787587515.db2.gz	ITOSQVFPQJIFQI-ZDUSSCGKSA-N	1	0	362.434	1.056	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC(=O)NC)C1	ZINC001104553706	787783143	/nfs/dbraw/zinc/78/31/43/787783143.db2.gz	FQDPCOONQVMGGV-OWCLPIDISA-N	1	0	364.490	1.098	20	30		FDEDRO
C[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CCN1C1CC[NH+](C)CC1	ZINC000376448779	787834948	/nfs/dbraw/zinc/83/49/48/787834948.db2.gz	KDEPDMWBXGZNLW-ZDUSSCGKSA-N	1	0	358.446	1.653	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]1c1ccccc1	ZINC001211684420	805827464	/nfs/dbraw/zinc/82/74/64/805827464.db2.gz	XMONQDHWTNZNAZ-DLBZAZTESA-N	1	0	362.495	1.417	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCOCC2)C1	ZINC001104563521	787924268	/nfs/dbraw/zinc/92/42/68/787924268.db2.gz	NRLSLSLFDBUMIA-KZNAEPCWSA-N	1	0	365.518	1.522	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1	ZINC000659074821	787947079	/nfs/dbraw/zinc/94/70/79/787947079.db2.gz	MTCPOWMBWCYZBY-IKGGRYGDSA-N	1	0	359.426	1.136	20	30		FDEDRO
N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC2)C[C@H]1c1ccccc1	ZINC001211685547	805836867	/nfs/dbraw/zinc/83/68/67/805836867.db2.gz	BIXULNUQBJYPIO-ZSYWTGECSA-N	1	0	366.465	1.256	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CS(=O)(=O)NC(C)(C)C)C1	ZINC001111990233	788294005	/nfs/dbraw/zinc/29/40/05/788294005.db2.gz	RJOARMBWKHIXHB-YJBOKZPZSA-N	1	0	371.547	1.641	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1	ZINC000973370089	788802966	/nfs/dbraw/zinc/80/29/66/788802966.db2.gz	NOHTYXOMJMRHHH-ZKXLYKBJSA-N	1	0	363.502	1.604	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC2CCOCC2)C1	ZINC001104606713	788847689	/nfs/dbraw/zinc/84/76/89/788847689.db2.gz	BTHBYQRBFUOKML-IAGOWNOFSA-N	1	0	365.518	1.712	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC(N)=O)C2)CC1	ZINC001104631545	789059610	/nfs/dbraw/zinc/05/96/10/789059610.db2.gz	RIERKDZGWVPEGF-RBSFLKMASA-N	1	0	364.490	1.390	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)c1ccco1)C2	ZINC001112528982	805932278	/nfs/dbraw/zinc/93/22/78/805932278.db2.gz	ZAONSBGHTOLOBA-FTRWYGJKSA-N	1	0	359.470	1.904	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccc(Cl)[nH]2)C[C@H]1C	ZINC001104648028	789161096	/nfs/dbraw/zinc/16/10/96/789161096.db2.gz	HUJUIDUGGCVVJP-HZSPNIEDSA-N	1	0	364.877	1.494	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1	ZINC000892694226	789171400	/nfs/dbraw/zinc/17/14/00/789171400.db2.gz	DQOXPZSXZOYGNI-KFWWJZLASA-N	1	0	350.463	1.555	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]C[C@H]3CCS(=O)(=O)C3)C2)C1	ZINC001104653031	789176489	/nfs/dbraw/zinc/17/64/89/789176489.db2.gz	SOKAVEPWIYYYSE-BRWVUGGUSA-N	1	0	368.543	1.852	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnns3)C2)c1	ZINC001104659874	789210677	/nfs/dbraw/zinc/21/06/77/789210677.db2.gz	YDSVHKVVNSQIHB-UKRRQHHQSA-N	1	0	355.467	1.802	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cc(C(F)F)n[nH]2)C[C@H]1C	ZINC001104665107	789231424	/nfs/dbraw/zinc/23/14/24/789231424.db2.gz	LMQCCARBGAVARW-CHWSQXEVSA-N	1	0	354.401	1.685	20	30		FDEDRO
O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cn([C@@H]2CCOC2)nn1	ZINC000330025906	789267048	/nfs/dbraw/zinc/26/70/48/789267048.db2.gz	BFLSVISYAWIJAS-MRXNPFEDSA-N	1	0	356.430	1.856	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1C	ZINC001104673250	789270746	/nfs/dbraw/zinc/27/07/46/789270746.db2.gz	VHNHNWDQAANTKR-WCXIOVBPSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nncs2)C1	ZINC001104699082	789509386	/nfs/dbraw/zinc/50/93/86/789509386.db2.gz	BUKFPIZXPPUXEA-TUVASFSCSA-N	1	0	350.488	1.703	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)CC)C1	ZINC001104699981	789520676	/nfs/dbraw/zinc/52/06/76/789520676.db2.gz	SRJIFJDMDCUGEP-VQHPVUNQSA-N	1	0	351.491	1.130	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)c2cccnc2)C[C@H]1C	ZINC001104709352	789567049	/nfs/dbraw/zinc/56/70/49/789567049.db2.gz	AUWSXRHYWKXIBB-SJLPKXTDSA-N	1	0	358.486	1.852	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccnc2)C[C@H]1C	ZINC001104709947	789617088	/nfs/dbraw/zinc/61/70/88/789617088.db2.gz	QISHXFGTYVFIMF-OQIJWPOYSA-N	1	0	368.481	1.009	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@]1(C)C[NH+]2CCC1CC2	ZINC000892789789	791250607	/nfs/dbraw/zinc/25/06/07/791250607.db2.gz	UERYOTMPBHETSR-FQEVSTJZSA-N	1	0	366.469	1.751	20	30		FDEDRO
CC[NH+]1CCC(CCNC(=O)N2CCC(n3cnc(C#N)n3)CC2)CC1	ZINC000365544197	791299165	/nfs/dbraw/zinc/29/91/65/791299165.db2.gz	CTEQSCHDHWZKKM-UHFFFAOYSA-N	1	0	359.478	1.618	20	30		FDEDRO
Cc1cc(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)nn1-c1cccc(C#N)c1	ZINC000377246990	791362304	/nfs/dbraw/zinc/36/23/04/791362304.db2.gz	XXBJNTKAWFBPSC-INIZCTEOSA-N	1	0	352.442	2.468	20	30		FDEDRO
C[C@H](CCNC(=O)C(=O)N(C)Cc1cccc(C#N)c1)[NH+]1CCCCC1	ZINC000290278116	791547968	/nfs/dbraw/zinc/54/79/68/791547968.db2.gz	APFJABHGVLEYTE-MRXNPFEDSA-N	1	0	356.470	1.897	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2cccc3c2CCOC3)CC1	ZINC000636675788	806096411	/nfs/dbraw/zinc/09/64/11/806096411.db2.gz	ALCRMZBCAUGOHC-UHFFFAOYSA-N	1	0	371.481	1.532	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC2(CC1)CC(=O)C=CO2	ZINC000892944556	791895838	/nfs/dbraw/zinc/89/58/38/791895838.db2.gz	RVFGZSNAMSRKMF-OAHLLOKOSA-N	1	0	351.447	1.145	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1	ZINC001025742843	791916348	/nfs/dbraw/zinc/91/63/48/791916348.db2.gz	QWYSWDWNZCKFNA-IAGOWNOFSA-N	1	0	363.502	1.009	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1C#N	ZINC000415317801	791919577	/nfs/dbraw/zinc/91/95/77/791919577.db2.gz	PYAUTGAOAJNLDO-CQSZACIVSA-N	1	0	373.457	1.664	20	30		FDEDRO
C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1	ZINC000415445138	792280535	/nfs/dbraw/zinc/28/05/35/792280535.db2.gz	OVJZADLGYKELEO-CABCVRRESA-N	1	0	358.442	1.893	20	30		FDEDRO
C[NH2+]CC1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1	ZINC000415446661	792283175	/nfs/dbraw/zinc/28/31/75/792283175.db2.gz	TWCLWNXSENXWKW-UHFFFAOYSA-N	1	0	356.405	2.346	20	30		FDEDRO
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCN(C)CC[N@H+](C)CC2)c1	ZINC000892976183	792291292	/nfs/dbraw/zinc/29/12/92/792291292.db2.gz	BGCZAMALVNYRIA-GOSISDBHSA-N	1	0	373.501	1.756	20	30		FDEDRO
COCC1(CNC(=O)Nc2ncccc2OCCCC#N)CC[NH2+]CC1	ZINC000415503804	792397630	/nfs/dbraw/zinc/39/76/30/792397630.db2.gz	SFZCHJRRDCYNSF-UHFFFAOYSA-N	1	0	361.446	1.902	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCC1(C)CC[NH2+]CC1	ZINC000415574884	792565108	/nfs/dbraw/zinc/56/51/08/792565108.db2.gz	SEQHFCLVCAFXKM-UHFFFAOYSA-N	1	0	358.442	1.790	20	30		FDEDRO
C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000415671236	792783667	/nfs/dbraw/zinc/78/36/67/792783667.db2.gz	JBGQQIHIEGSVBI-KXBFYZLASA-N	1	0	362.433	1.677	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN(CC(=O)Nc3cccc(C#N)c3)C2)CC1	ZINC000377829999	792885273	/nfs/dbraw/zinc/88/52/73/792885273.db2.gz	AARWSKPQIGIIHG-LJQANCHMSA-N	1	0	355.486	1.597	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1	ZINC000415738133	792902483	/nfs/dbraw/zinc/90/24/83/792902483.db2.gz	DIFCYYCOCKOTJO-VXGBXAGGSA-N	1	0	364.352	1.166	20	30		FDEDRO
C[C@H](CCC[NH3+])NC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000415760653	792939177	/nfs/dbraw/zinc/93/91/77/792939177.db2.gz	MGLLYIMKYLXJGR-OAHLLOKOSA-N	1	0	350.422	1.664	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1	ZINC000415787520	792993307	/nfs/dbraw/zinc/99/33/07/792993307.db2.gz	QDCONUYHZICEOC-RHSMWYFYSA-N	1	0	356.426	1.518	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2ccco2)C1=O	ZINC001026064615	793079475	/nfs/dbraw/zinc/07/94/75/793079475.db2.gz	BVOIFXFLQGUFEU-UDOHHAEJSA-N	1	0	355.438	1.216	20	30		FDEDRO
COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+]CC#Cc2ccccc2)cc1	ZINC000893128734	793178921	/nfs/dbraw/zinc/17/89/21/793178921.db2.gz	XUDDPPCEEMQFFR-UHFFFAOYSA-N	1	0	371.458	1.916	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CN2CCOCC2)C1	ZINC001087425436	806220800	/nfs/dbraw/zinc/22/08/00/806220800.db2.gz	VVDIVZLJKCSMEW-WOJBJXKFSA-N	1	0	355.482	1.316	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)cc1	ZINC000415865941	793244368	/nfs/dbraw/zinc/24/43/68/793244368.db2.gz	YCNDASDYBZJEJY-ZWKOTPCHSA-N	1	0	366.396	1.979	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(=O)NC3CC3)C[C@H]21	ZINC001026096462	793285324	/nfs/dbraw/zinc/28/53/24/793285324.db2.gz	AHKMRARTOKNSJJ-DOTURHINSA-N	1	0	361.486	1.071	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1OCCO[C@H]1C)C[C@@H](C)O2	ZINC001098606289	793351970	/nfs/dbraw/zinc/35/19/70/793351970.db2.gz	PKWIRPJYIBSXMH-SQNIBIBYSA-N	1	0	366.502	1.838	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccon2)C1	ZINC001104757939	793482824	/nfs/dbraw/zinc/48/28/24/793482824.db2.gz	VHIWEBWLJHFWRJ-QGPMSJSTSA-N	1	0	362.474	1.720	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC(=C)C)NC(C)=O)C[C@H]1C	ZINC001104757670	793482967	/nfs/dbraw/zinc/48/29/67/793482967.db2.gz	HJIRKTDJNMJSAX-QRQLOZEOSA-N	1	0	365.518	1.734	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC2)c(F)c1	ZINC000416013756	793491948	/nfs/dbraw/zinc/49/19/48/793491948.db2.gz	UNWBLUNQXOZPLS-CQSZACIVSA-N	1	0	373.354	1.809	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cccnc3)C2)nn1	ZINC001104769293	793555391	/nfs/dbraw/zinc/55/53/91/793555391.db2.gz	OGFBLLALRGAJPU-NVXWUHKLSA-N	1	0	354.458	1.747	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cc(C)no3)C2)nn1	ZINC001104769272	793555570	/nfs/dbraw/zinc/55/55/70/793555570.db2.gz	NKBWKBCSBYBIES-UKRRQHHQSA-N	1	0	358.446	1.649	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2C)C[C@H]1C(F)(F)F	ZINC001112047689	793560894	/nfs/dbraw/zinc/56/08/94/793560894.db2.gz	HHLJLVIIMXVPOF-ZIAGYGMSSA-N	1	0	360.380	1.524	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccnn2C2CCOCC2)C[C@H]1C	ZINC001104775434	793585464	/nfs/dbraw/zinc/58/54/64/793585464.db2.gz	FUUHRNIWYNPNEL-IAGOWNOFSA-N	1	0	358.486	1.946	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCCOCC)C2)nn1	ZINC001104777384	793599004	/nfs/dbraw/zinc/59/90/04/793599004.db2.gz	HZHUXVSISBWSGM-IAGOWNOFSA-N	1	0	363.506	1.969	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(C)CCOCC2)C[C@H]1C	ZINC001104795982	793728590	/nfs/dbraw/zinc/72/85/90/793728590.db2.gz	CJUHXWWQERBYKG-BRWVUGGUSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2COCCN2C)C1	ZINC001087425650	806273738	/nfs/dbraw/zinc/27/37/38/806273738.db2.gz	KHNYCYMJEIBMBF-AQNXPRMDSA-N	1	0	357.498	1.867	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cccc3nccnc32)C[C@H]1C	ZINC001104830896	793949840	/nfs/dbraw/zinc/94/98/40/793949840.db2.gz	LZHZIPDANOSZML-IAGOWNOFSA-N	1	0	366.465	1.967	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnn(C(F)F)c2)C[C@H]1C	ZINC001104839613	793999740	/nfs/dbraw/zinc/99/97/40/793999740.db2.gz	IPGKSEQVULYVPB-ZIAGYGMSSA-N	1	0	354.401	1.616	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cnn(-c3ccncc3)c2)C[C@H]1C	ZINC001104846085	794037442	/nfs/dbraw/zinc/03/74/42/794037442.db2.gz	ICSKERHGMGFSMM-IAGOWNOFSA-N	1	0	351.454	1.978	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)COCc2ncnn2C)C[C@H]1C	ZINC001104857089	794086331	/nfs/dbraw/zinc/08/63/31/794086331.db2.gz	SVVAKRGMAPEGHK-BRWVUGGUSA-N	1	0	363.506	1.761	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc3c([nH]2)CCCC3)C[C@H]1C	ZINC001104878704	794184179	/nfs/dbraw/zinc/18/41/79/794184179.db2.gz	PNLHZORFVNEVPJ-NVXWUHKLSA-N	1	0	370.497	1.331	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ncoc2C(C)C)C[C@H]1C	ZINC001104878913	794185399	/nfs/dbraw/zinc/18/53/99/794185399.db2.gz	VKFVZLKZAWNJOW-HUUCEWRRSA-N	1	0	360.458	1.235	20	30		FDEDRO
C=C(Br)C[NH2+]CC[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1C	ZINC001104891560	794237412	/nfs/dbraw/zinc/23/74/12/794237412.db2.gz	JKEHWCNABXAEKU-ZYHUDNBSSA-N	1	0	356.268	1.330	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1F	ZINC001104891714	794238761	/nfs/dbraw/zinc/23/87/61/794238761.db2.gz	QCKYFMZXCRTAPQ-CZUORRHYSA-N	1	0	370.432	1.632	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cn(C)nc2Cl)C[C@H]1C	ZINC001104898849	794295909	/nfs/dbraw/zinc/29/59/09/794295909.db2.gz	UTGLFNBJQDAGBW-ZIAGYGMSSA-N	1	0	354.882	1.964	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3n[nH]cc3C2)C[C@H]1C	ZINC001104905010	794319969	/nfs/dbraw/zinc/31/99/69/794319969.db2.gz	TWHQJYIVXNEQTL-IXDOHACOSA-N	1	0	358.486	1.239	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N[C@@H](C)CC)C2)cn1	ZINC001104927842	794436453	/nfs/dbraw/zinc/43/64/53/794436453.db2.gz	XGHNFQLYEUIGLJ-SOLBZPMBSA-N	1	0	370.497	1.665	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc(Cl)c2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104943334	794503727	/nfs/dbraw/zinc/50/37/27/794503727.db2.gz	QJUUNQNYZYIMIQ-UKRRQHHQSA-N	1	0	362.861	1.668	20	30		FDEDRO
Cc1cc(C)cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)c1	ZINC001104948794	794526505	/nfs/dbraw/zinc/52/65/05/794526505.db2.gz	OSYJIDZMPMBJMB-IAGOWNOFSA-N	1	0	356.470	1.631	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2(CCOC)CCC2)C[C@H]1C	ZINC001104952152	794535989	/nfs/dbraw/zinc/53/59/89/794535989.db2.gz	IVTAQUOBYGDZIT-IAGOWNOFSA-N	1	0	363.502	1.017	20	30		FDEDRO
C=CCN(C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1	ZINC000660071344	794550647	/nfs/dbraw/zinc/55/06/47/794550647.db2.gz	YBIGJUNLAKXPSZ-JKSUJKDBSA-N	1	0	356.532	1.946	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CCCN(C)C(C)=O)C[C@H]1C	ZINC001104958501	794583844	/nfs/dbraw/zinc/58/38/44/794583844.db2.gz	YRELJZCOADDMHR-SJLPKXTDSA-N	1	0	353.507	1.522	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cnn(CCOC)c2)C[C@H]1C	ZINC001104961473	794589741	/nfs/dbraw/zinc/58/97/41/794589741.db2.gz	GDRWYNWBBAONAW-IAGOWNOFSA-N	1	0	364.490	1.420	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H]3CCNC3=O)C2)CCOCC1	ZINC001104960115	794595633	/nfs/dbraw/zinc/59/56/33/794595633.db2.gz	PXZWGMLSYYNVBA-BRWVUGGUSA-N	1	0	363.502	1.322	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1	ZINC000416762675	794607081	/nfs/dbraw/zinc/60/70/81/794607081.db2.gz	BAUITEDNXRODNS-AWEZNQCLSA-N	1	0	360.414	1.525	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cncnc2C2CC2)C[C@H]1C	ZINC001104965643	794614630	/nfs/dbraw/zinc/61/46/30/794614630.db2.gz	ZTXOQUUFVSVMHS-NVXWUHKLSA-N	1	0	356.470	1.692	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2ccc(F)cc2)C[C@H]1C	ZINC001104968733	794627541	/nfs/dbraw/zinc/62/75/41/794627541.db2.gz	TZWZWCKJUJDBQG-NVXWUHKLSA-N	1	0	359.445	1.192	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1	ZINC000974179922	794636569	/nfs/dbraw/zinc/63/65/69/794636569.db2.gz	ICCJCLKMSMVFJD-WJWMFLMHSA-N	1	0	363.502	1.461	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H](N[C@H](C)c2nnc(C)[nH]2)C1	ZINC001112069662	794729633	/nfs/dbraw/zinc/72/96/33/794729633.db2.gz	IAJKTHNFTMATDD-YUSALJHKSA-N	1	0	361.368	1.356	20	30		FDEDRO
Cc1nc(C)c(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)s1	ZINC001104988605	794748690	/nfs/dbraw/zinc/74/86/90/794748690.db2.gz	DBSZDHPPTBXSNV-BXUZGUMPSA-N	1	0	363.487	1.088	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1ncc(-c2ccccc2)cn1	ZINC000185589966	794749469	/nfs/dbraw/zinc/74/94/69/794749469.db2.gz	DUOQPTNBTJTPEV-UHFFFAOYSA-N	1	0	354.458	1.141	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(CNC(N)=O)cc2)C[C@H]1C	ZINC001104993759	794773718	/nfs/dbraw/zinc/77/37/18/794773718.db2.gz	ABSBFIOECBSVDU-CRAIPNDOSA-N	1	0	356.470	1.566	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cccc(-n3cnnn3)c2)C[C@H]1C	ZINC001104997267	794799455	/nfs/dbraw/zinc/79/94/55/794799455.db2.gz	WEDMFWSWQUZULA-NVXWUHKLSA-N	1	0	352.442	1.373	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cccn2CC)C[C@H]1C	ZINC001105018238	794947308	/nfs/dbraw/zinc/94/73/08/794947308.db2.gz	ZLBZCNONEYQIHH-IXDOHACOSA-N	1	0	360.502	1.887	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]nc3ccccc32)C[C@H]1C	ZINC001105059113	795091817	/nfs/dbraw/zinc/09/18/17/795091817.db2.gz	KXNZYECRVNXHEI-IAGOWNOFSA-N	1	0	368.481	1.829	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]c3ncccc23)C[C@H]1C	ZINC001105079022	795175337	/nfs/dbraw/zinc/17/53/37/795175337.db2.gz	GIRFCUHXWXVOTN-IAGOWNOFSA-N	1	0	368.481	1.829	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@](C)(NC(C)=O)C(C)C)C[C@H]1C	ZINC001105082698	795180203	/nfs/dbraw/zinc/18/02/03/795180203.db2.gz	OCVFTRPCQHOSHW-POAQFYNOSA-N	1	0	367.534	1.814	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H]3CCNC3=O)C2)CCCCC1	ZINC001105084210	795188869	/nfs/dbraw/zinc/18/88/69/795188869.db2.gz	NLUYNQRUZISSBM-KZNAEPCWSA-N	1	0	359.514	1.923	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(C)(C)C)C1	ZINC001105085260	795198434	/nfs/dbraw/zinc/19/84/34/795198434.db2.gz	IHEONBNLGWYOFI-HZPDHXFCSA-N	1	0	353.507	1.568	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N[C@H](C)C(C)C)C1	ZINC001105085515	795206318	/nfs/dbraw/zinc/20/63/18/795206318.db2.gz	UBBIQSPAXIFLNX-KZNAEPCWSA-N	1	0	367.534	1.814	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccn(C)c(=O)c2)C1	ZINC001105089964	795232499	/nfs/dbraw/zinc/23/24/99/795232499.db2.gz	CTSPHQPNFJKAIL-JFIYKMOQSA-N	1	0	361.486	1.551	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NCC=C)C1	ZINC001105090443	795235080	/nfs/dbraw/zinc/23/50/80/795235080.db2.gz	VSNXGIGXJYBUIT-IXDOHACOSA-N	1	0	351.491	1.344	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cc(OC)no2)C1	ZINC001105090723	795236909	/nfs/dbraw/zinc/23/69/09/795236909.db2.gz	HXPYSKXBSFMMOS-QLFBSQMISA-N	1	0	351.447	1.849	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2coc3ccccc32)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001105108460	795313446	/nfs/dbraw/zinc/31/34/46/795313446.db2.gz	CRRFDNSJRIKDGN-HUUCEWRRSA-N	1	0	368.437	1.760	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2coc3ccccc32)C[C@H]1C	ZINC001105108898	795315281	/nfs/dbraw/zinc/31/52/81/795315281.db2.gz	VWIDWJLTLSPCCY-HZPDHXFCSA-N	1	0	367.449	1.870	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)NCCC[C@@H]3CCC[NH2+]3)C2=O)cc1	ZINC000418012984	795461372	/nfs/dbraw/zinc/46/13/72/795461372.db2.gz	SRVGPDBWZDNKRO-FUHWJXTLSA-N	1	0	369.469	1.885	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CCN(c3ccc(C)cc3)C2=O)CC1	ZINC000364248743	795521120	/nfs/dbraw/zinc/52/11/20/795521120.db2.gz	AXVUNRLEHINSLN-LJQANCHMSA-N	1	0	353.466	1.952	20	30		FDEDRO
C=CCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCO[C@H]3C(C)C)C2)nn1	ZINC001105243111	795533074	/nfs/dbraw/zinc/53/30/74/795533074.db2.gz	VSNFDLGFQVTORE-ROUUACIJSA-N	1	0	361.490	1.778	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CC[NH+](CC(C)C)CC3)cc2C1=O	ZINC000043008553	795713022	/nfs/dbraw/zinc/71/30/22/795713022.db2.gz	AZNNGUXMNXMWRA-UHFFFAOYSA-N	1	0	355.438	1.882	20	30		FDEDRO
CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1CCOc1ccc(C#N)cc1OC	ZINC000364344394	795780660	/nfs/dbraw/zinc/78/06/60/795780660.db2.gz	YIIFYKXNXGYIMA-CVEARBPZSA-N	1	0	362.426	1.988	20	30		FDEDRO
COCCN1C(=O)C[C@@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)[C@@H]1c1cnn(C)c1C	ZINC000278835187	795863303	/nfs/dbraw/zinc/86/33/03/795863303.db2.gz	ULXQJZLNFXNQBN-OGNFBWPZSA-N	1	0	373.501	1.937	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]([NH3+])c1ccccc1	ZINC000418423154	795900478	/nfs/dbraw/zinc/90/04/78/795900478.db2.gz	FIVPKJXKOKPSAE-GOEBONIOSA-N	1	0	365.441	1.268	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC#N)C1	ZINC001211657997	795967290	/nfs/dbraw/zinc/96/72/90/795967290.db2.gz	XLRQYBGZKSSRSO-NZSAHSFTSA-N	1	0	368.481	1.813	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)NCC(=O)NCC[NH+]1CCCCC1	ZINC000909327513	795967369	/nfs/dbraw/zinc/96/73/69/795967369.db2.gz	OCLSZUMLVHRZJU-HNNXBMFYSA-N	1	0	358.442	1.044	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)NCC(=O)NCC[NH+]1CCCCC1	ZINC000909328954	795974803	/nfs/dbraw/zinc/97/48/03/795974803.db2.gz	OCEKMANDTBJXKV-HNNXBMFYSA-N	1	0	358.442	1.044	20	30		FDEDRO
N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)NC[C@@H]([NH3+])C1CC1	ZINC000418502998	796021240	/nfs/dbraw/zinc/02/12/40/796021240.db2.gz	WHLTYSORFMOILH-MRXNPFEDSA-N	1	0	367.457	1.295	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC(F)(F)F)C1	ZINC001112100861	796028850	/nfs/dbraw/zinc/02/88/50/796028850.db2.gz	NSLDUFDEZSIUNI-HBNTYKKESA-N	1	0	360.298	1.956	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)C2	ZINC001112530078	806540765	/nfs/dbraw/zinc/54/07/65/806540765.db2.gz	BYXSVRWMSWMLOH-LLDVTBCESA-N	1	0	353.894	1.859	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC2CCC(NC(=O)c3c[nH]c(C#N)c3)CC2)CC[N@@H+]1C	ZINC000980133074	806790428	/nfs/dbraw/zinc/79/04/28/806790428.db2.gz	ZNBOVOIUNZFDEN-IGHZYHEGSA-N	1	0	357.458	1.384	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnc(C)s2)C1	ZINC001026849693	800016526	/nfs/dbraw/zinc/01/65/26/800016526.db2.gz	CEJRDMSENODZLG-KFWWJZLASA-N	1	0	350.488	1.766	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@H]1c1ccccc1	ZINC001211659030	800032846	/nfs/dbraw/zinc/03/28/46/800032846.db2.gz	DLBKLXAXKRSTQK-NSHGMRRFSA-N	1	0	360.429	1.349	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C(=O)NC)cc1	ZINC001111482640	800060243	/nfs/dbraw/zinc/06/02/43/800060243.db2.gz	QQBDPOHORLKKFC-QRVBRYPASA-N	1	0	371.481	1.860	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)C[N@H+]4CCC[C@@H]4C)C[C@H]32)nc1	ZINC000974681318	800064591	/nfs/dbraw/zinc/06/45/91/800064591.db2.gz	UXXDBZRBWHSEHU-KVSKMBFKSA-N	1	0	366.465	1.220	20	30		FDEDRO
C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C(C)(C)C1	ZINC000974684251	800082549	/nfs/dbraw/zinc/08/25/49/800082549.db2.gz	GZODFPVXJUNGPD-IPMKNSEASA-N	1	0	356.466	1.993	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]21	ZINC000974695713	800110254	/nfs/dbraw/zinc/11/02/54/800110254.db2.gz	YXXGMGDEYIGIID-HSALFYBXSA-N	1	0	365.477	1.221	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)C4([NH+](C)C)CCC4)C[C@H]32)cc1	ZINC000974702817	800122647	/nfs/dbraw/zinc/12/26/47/800122647.db2.gz	RBVMJTLLMQZRNW-RTBURBONSA-N	1	0	365.477	1.825	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCN(C(=O)Cc3ccc(C)cc3)CC2)CCC[NH2+]1	ZINC000662559334	806839248	/nfs/dbraw/zinc/83/92/48/806839248.db2.gz	BPOFUIYPKGZHBZ-NRFANRHFSA-N	1	0	355.482	1.907	20	30		FDEDRO
CC1CC[NH+](CC(=O)N2C[C@H]3CCN(C(=O)c4ccc(C#N)[nH]4)C[C@H]32)CC1	ZINC000974910787	800535820	/nfs/dbraw/zinc/53/58/20/800535820.db2.gz	IQXJFNFUTVUFLS-CRAIPNDOSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CO)[C@H]2CCC[C@H](OC)C2)CC1	ZINC000660598020	800693028	/nfs/dbraw/zinc/69/30/28/800693028.db2.gz	VYMYHVDYHBTJDK-RYQLBKOJSA-N	1	0	353.507	1.892	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4C[C@H]4CCC)[C@@H]3C2)CC1	ZINC000975047395	800770609	/nfs/dbraw/zinc/77/06/09/800770609.db2.gz	AOGLHVYOASJWFL-UAFMIMERSA-N	1	0	371.525	1.827	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)CC1(C)C	ZINC000975069065	800820788	/nfs/dbraw/zinc/82/07/88/800820788.db2.gz	ZDLGXXGTCKENPT-FGTMMUONSA-N	1	0	371.481	1.703	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21	ZINC000975211340	801004224	/nfs/dbraw/zinc/00/42/24/801004224.db2.gz	JABGBJNYZQHEAE-JJRVBVJISA-N	1	0	355.442	1.044	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC000975428927	801342449	/nfs/dbraw/zinc/34/24/49/801342449.db2.gz	HLAFQANUDXBHRW-BPQIPLTHSA-N	1	0	368.481	1.372	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1	ZINC000975553067	801492221	/nfs/dbraw/zinc/49/22/21/801492221.db2.gz	FFLOTSQYDSSWCC-JQHSSLGASA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)CCC[NH2+]1	ZINC000662671835	806945615	/nfs/dbraw/zinc/94/56/15/806945615.db2.gz	YETQCCTWCAEEMG-HXUWFJFHSA-N	1	0	362.518	1.232	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CCN(C(=O)C[NH+]4CCCC4)C[C@@H]32)cc1	ZINC000975717936	802116971	/nfs/dbraw/zinc/11/69/71/802116971.db2.gz	RCTVVDPQTFQZEN-ICSRJNTNSA-N	1	0	365.477	1.827	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@@H]32)nc1	ZINC000975718568	802119956	/nfs/dbraw/zinc/11/99/56/802119956.db2.gz	JWJINHALMOKTBY-SCTDSRPQSA-N	1	0	366.465	1.078	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)C=C4CCC4)[C@H]3C2)CC1	ZINC000975754281	802208258	/nfs/dbraw/zinc/20/82/58/802208258.db2.gz	INLFFMZKZJPDIV-ICSRJNTNSA-N	1	0	369.509	1.891	20	30		FDEDRO
Cc1cn(C(C)(C)C(=O)N2CC[C@H]3CCN(C(=O)C#CC4CC4)[C@H]3C2)cn1	ZINC000975778987	802293266	/nfs/dbraw/zinc/29/32/66/802293266.db2.gz	FYWNVRRZOLZNLO-ROUUACIJSA-N	1	0	368.481	1.789	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2CCN(C(=O)C[NH+]3CCCC3)[C@H]2C1	ZINC000975769155	802299002	/nfs/dbraw/zinc/29/90/02/802299002.db2.gz	WHRCRMMSOMRSSF-HKUYNNGSSA-N	1	0	370.497	1.833	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@H]3C2)C1	ZINC000975818645	802510495	/nfs/dbraw/zinc/51/04/95/802510495.db2.gz	IHFBHDVYNCAMID-MPGHIAIKSA-N	1	0	369.469	1.291	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]32)c[nH]1	ZINC000975821859	802522267	/nfs/dbraw/zinc/52/22/67/802522267.db2.gz	MFGNTSLZAVRIJD-YOEHRIQHSA-N	1	0	367.453	1.045	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@H]3C2)nc1	ZINC000975836105	802553108	/nfs/dbraw/zinc/55/31/08/802553108.db2.gz	INDLIKZQNJKXQB-LNLFQRSKSA-N	1	0	366.465	1.078	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1	ZINC000661311405	803238672	/nfs/dbraw/zinc/23/86/72/803238672.db2.gz	JIGGCWCHYPGAGE-SFHVURJKSA-N	1	0	364.534	1.781	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)CCC[NH2+]1	ZINC000662787549	803254154	/nfs/dbraw/zinc/25/41/54/803254154.db2.gz	CFRARHNACGMJEF-HXUWFJFHSA-N	1	0	367.453	1.546	20	30		FDEDRO
CCC1(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(=O)NCC#N)C2)CC1	ZINC001211666630	803291283	/nfs/dbraw/zinc/29/12/83/803291283.db2.gz	GXRSDKGWVMAIDQ-DLBZAZTESA-N	1	0	354.454	1.401	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](OC)C(C)C)C[C@H]1c1ccccc1	ZINC001211666718	803341175	/nfs/dbraw/zinc/34/11/75/803341175.db2.gz	JTNGYZMEHHEOQP-ZCNNSNEGSA-N	1	0	358.482	1.891	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(C)CC=CC2)C[C@H]1c1ccccc1	ZINC001211667211	803394682	/nfs/dbraw/zinc/39/46/82/803394682.db2.gz	ZGNHJPWICUYSSC-RBUKOAKNSA-N	1	0	365.477	1.676	20	30		FDEDRO
CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(c2ccccc2C#N)CC1	ZINC000423064024	814950262	/nfs/dbraw/zinc/95/02/62/814950262.db2.gz	XWPDZJFYAUOZTG-QGZVFWFLSA-N	1	0	371.485	1.039	20	30		FDEDRO
C#Cc1ccc(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)nc1	ZINC000728822504	803788496	/nfs/dbraw/zinc/78/84/96/803788496.db2.gz	PIYYAJYULPIRFX-UHFFFAOYSA-N	1	0	350.422	1.284	20	30		FDEDRO
N#C[C@]1(C(=O)N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)CC2CCC1CC2	ZINC000909365056	803954559	/nfs/dbraw/zinc/95/45/59/803954559.db2.gz	FKUHYPJASYEOHC-QCECMTGHSA-N	1	0	358.486	1.519	20	30		FDEDRO
N#Cc1cccc(C2(NC(=O)C3C[C@@H]4C[NH2+]C[C@H](C3)C4=O)CCOCC2)c1	ZINC000662882351	803983660	/nfs/dbraw/zinc/98/36/60/803983660.db2.gz	CFJMKISDABTQNK-ALOPSCKCSA-N	1	0	367.449	1.495	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1	ZINC000976893835	804016864	/nfs/dbraw/zinc/01/68/64/804016864.db2.gz	TZXMVASPIKVLOQ-TVFCKZIOSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2	ZINC000423171569	814987136	/nfs/dbraw/zinc/98/71/36/814987136.db2.gz	OZTRGNJJKAZGRE-CALCHBBNSA-N	1	0	357.454	1.563	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCCC[N@H+]2C)c1	ZINC000976920853	804095172	/nfs/dbraw/zinc/09/51/72/804095172.db2.gz	KAAFOSCUWCNXGZ-GUDVDZBRSA-N	1	0	368.481	1.704	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2	ZINC000423187331	814994545	/nfs/dbraw/zinc/99/45/45/814994545.db2.gz	MLWNEZCNQJXBFM-HDICACEKSA-N	1	0	352.438	1.426	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c(OC)c1	ZINC000661610907	804287421	/nfs/dbraw/zinc/28/74/21/804287421.db2.gz	ULEQKNPMFPLDLW-KURKYZTESA-N	1	0	374.481	1.764	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1	ZINC000423217950	815006140	/nfs/dbraw/zinc/00/61/40/815006140.db2.gz	SWKZFUIIJZBWLC-HOCLYGCPSA-N	1	0	374.441	1.553	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@H]([N@H+](C)Cc3ccc(C#N)cc3)C2)O1	ZINC001027466008	804354481	/nfs/dbraw/zinc/35/44/81/804354481.db2.gz	ZOGGNOWKYPRSJI-LSTHTHJFSA-N	1	0	370.497	1.700	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@H]21	ZINC000977216453	804599541	/nfs/dbraw/zinc/59/95/41/804599541.db2.gz	BGXYFUMPYNUSKW-ZXXIGWHRSA-N	1	0	361.486	1.025	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000652187644	804632925	/nfs/dbraw/zinc/63/29/25/804632925.db2.gz	RBGXDSXFAJVYLO-FPSMNIFISA-N	1	0	351.491	1.896	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H]2CN(C)C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC000977531559	804840063	/nfs/dbraw/zinc/84/00/63/804840063.db2.gz	RRIHTVYLYKOXDA-YQQAZPJKSA-N	1	0	357.458	1.290	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(F)cn3)C[C@H]21	ZINC000978170769	805269208	/nfs/dbraw/zinc/26/92/08/805269208.db2.gz	WWTZHWKOIWLZOQ-QQXKLLMISA-N	1	0	359.445	1.996	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)C(C)(C)[NH+]1CCCC1	ZINC000978433574	805442471	/nfs/dbraw/zinc/44/24/71/805442471.db2.gz	OXUFQHWSPDZLQA-BBWFWOEESA-N	1	0	363.502	1.511	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC23CC3)C[C@H]1c1ccccc1	ZINC001211680206	805502436	/nfs/dbraw/zinc/50/24/36/805502436.db2.gz	LHFJJVNGWPALLN-RCCFBDPRSA-N	1	0	353.466	1.673	20	30		FDEDRO
C[N@H+](CCc1ccccc1)CC(=O)N1C[C@@H]2CCC[C@]2(CNCC#N)C1	ZINC001112531764	807087882	/nfs/dbraw/zinc/08/78/82/807087882.db2.gz	PFEJZLDDNYSLLC-FPOVZHCZSA-N	1	0	354.498	1.903	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cn(CCC)nn2)C[C@H]1c1ccccc1	ZINC001211696439	807197199	/nfs/dbraw/zinc/19/71/99/807197199.db2.gz	GMDQAXPGMNPJQJ-ZWKOTPCHSA-N	1	0	351.454	1.909	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1	ZINC000423558805	815114999	/nfs/dbraw/zinc/11/49/99/815114999.db2.gz	DDZVUXJUKHQBJB-RHSMWYFYSA-N	1	0	354.454	1.635	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C)c(C(N)=O)cn1)C2	ZINC001112532678	807475797	/nfs/dbraw/zinc/47/57/97/807475797.db2.gz	QFEQRQBJMZLDSR-YWZLYKJASA-N	1	0	356.470	1.897	20	30		FDEDRO
COc1ccc(S(=O)(=O)N2CC([NH2+][C@H](C)CC(C)(C)C#N)C2)cc1	ZINC000893627132	807490322	/nfs/dbraw/zinc/49/03/22/807490322.db2.gz	NCVJPXDXHWHOGD-CYBMUJFWSA-N	1	0	351.472	1.986	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C2CC2)cc1	ZINC000423556613	815133155	/nfs/dbraw/zinc/13/31/55/815133155.db2.gz	BRUJTTYBJCRXKT-AEFFLSMTSA-N	1	0	352.438	1.260	20	30		FDEDRO
COc1ccc(CN2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cc1C#N	ZINC000981194261	807698435	/nfs/dbraw/zinc/69/84/35/807698435.db2.gz	OQBDEOAOBLUUNS-VQIMIIECSA-N	1	0	370.497	1.941	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ocnc2C)C1	ZINC000981625928	808256211	/nfs/dbraw/zinc/25/62/11/808256211.db2.gz	VNHPCIHDXNWKTR-XHSDSOJGSA-N	1	0	358.442	1.095	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1	ZINC000981650598	808275460	/nfs/dbraw/zinc/27/54/60/808275460.db2.gz	GAAQDFKKBLFASD-HPBDAGMYSA-N	1	0	363.502	1.320	20	30		FDEDRO
COC(CN(CCCO)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)OC	ZINC000279093208	808335544	/nfs/dbraw/zinc/33/55/44/808335544.db2.gz	NXGCTWUJJAVDMK-QGZVFWFLSA-N	1	0	361.442	1.357	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1	ZINC000981684841	808339014	/nfs/dbraw/zinc/33/90/14/808339014.db2.gz	NSAXJCKGAZSRND-YSVLISHTSA-N	1	0	357.458	1.385	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnc(OC)nc2)C[C@H]1c1ccccc1	ZINC001211700681	808430487	/nfs/dbraw/zinc/43/04/87/808430487.db2.gz	PERSEJULGAFFFI-ZWKOTPCHSA-N	1	0	350.422	1.706	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1	ZINC000423702826	815206866	/nfs/dbraw/zinc/20/68/66/815206866.db2.gz	ZAEGPNQTBDNMDA-WBAXXEDZSA-N	1	0	370.453	1.186	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+]([C@@H]1CCCNC1=O)C2	ZINC000981776629	808476612	/nfs/dbraw/zinc/47/66/12/808476612.db2.gz	SQFRLSRFCQNZFI-ZACQAIPSSA-N	1	0	361.486	1.171	20	30		FDEDRO
CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1	ZINC000423717868	815211502	/nfs/dbraw/zinc/21/15/02/815211502.db2.gz	KOAIPEPDEWSHAF-SQNIBIBYSA-N	1	0	354.454	1.353	20	30		FDEDRO
CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1	ZINC000423726668	815216462	/nfs/dbraw/zinc/21/64/62/815216462.db2.gz	UGVZGVGVFURSOE-MSOLQXFVSA-N	1	0	370.453	1.059	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)C[N@H+]3CCC[C@@H]3C)C2)cn1	ZINC000981843953	808608969	/nfs/dbraw/zinc/60/89/69/808608969.db2.gz	AXTCEZLHNHGUDG-TXPKVOOTSA-N	1	0	368.481	1.562	20	30		FDEDRO
C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C2)C1	ZINC000981842803	808614195	/nfs/dbraw/zinc/61/41/95/808614195.db2.gz	MHGJRVPJXCETRJ-KGLIPLIRSA-N	1	0	360.376	1.280	20	30		FDEDRO
C[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)[C@H]1C[NH3+]	ZINC000423733819	815228398	/nfs/dbraw/zinc/22/83/98/815228398.db2.gz	OFOYEOHUPFWZLU-BGTYHANMSA-N	1	0	354.454	1.338	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H](C)NC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N	ZINC000418692006	809136015	/nfs/dbraw/zinc/13/60/15/809136015.db2.gz	FGSHPRHCXATUMC-VXGBXAGGSA-N	1	0	373.436	1.433	20	30		FDEDRO
C[C@@H](NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@H](C)[NH3+]	ZINC000418708075	809147508	/nfs/dbraw/zinc/14/75/08/809147508.db2.gz	UCIOLXDBLBKNHH-NWDGAFQWSA-N	1	0	358.402	1.374	20	30		FDEDRO
CC[C@@H]([NH3+])CNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000418723790	809164061	/nfs/dbraw/zinc/16/40/61/809164061.db2.gz	JIMIEXRVQJIBGS-CYBMUJFWSA-N	1	0	355.446	1.295	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cc(Br)cn3ncnc23)CC1	ZINC000932140427	809341436	/nfs/dbraw/zinc/34/14/36/809341436.db2.gz	BESJWPYDJROIDU-UHFFFAOYSA-N	1	0	364.247	1.872	20	30		FDEDRO
CC(C)(CC#N)CNC(=O)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1	ZINC000418970221	809354635	/nfs/dbraw/zinc/35/46/35/809354635.db2.gz	HRUYNQYFVCHCRQ-CVEARBPZSA-N	1	0	360.433	1.525	20	30		FDEDRO
C[C@@H]1CN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)[C@@H](C)C[N@@H+]1CCO	ZINC000419005379	809380273	/nfs/dbraw/zinc/38/02/73/809380273.db2.gz	PHADLOQENLYGDL-OLZOCXBDSA-N	1	0	355.398	1.906	20	30		FDEDRO
C=CCCCNC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1	ZINC000419045175	809460202	/nfs/dbraw/zinc/46/02/02/809460202.db2.gz	RPZMWZLXPKXVFH-UHFFFAOYSA-N	1	0	358.486	1.179	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1	ZINC000728916341	809466506	/nfs/dbraw/zinc/46/65/06/809466506.db2.gz	ARHICGGHCZGQQW-MRXNPFEDSA-N	1	0	365.271	1.944	20	30		FDEDRO
O=C(NCC#Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H]1CCCC[NH2+]C1	ZINC000419115144	809587070	/nfs/dbraw/zinc/58/70/70/809587070.db2.gz	NNINXJROVGPNSN-HNNXBMFYSA-N	1	0	367.371	1.431	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC)C1	ZINC001211729736	809674155	/nfs/dbraw/zinc/67/41/55/809674155.db2.gz	HSWDRAHBDSCJLE-DLBZAZTESA-N	1	0	358.486	1.854	20	30		FDEDRO
COc1cc(OC)cc(C(=O)N2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)c1	ZINC000424104917	815309065	/nfs/dbraw/zinc/30/90/65/815309065.db2.gz	VGUVZMJZMMTWLT-KRWDZBQOSA-N	1	0	374.441	1.009	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CC[N@H+]2CC)ccc1F	ZINC000893872752	809781429	/nfs/dbraw/zinc/78/14/29/809781429.db2.gz	UVEQKRWBHGFOEL-ZDUSSCGKSA-N	1	0	355.435	1.114	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(CC#N)CC[C@@H]2c2ccccc2)CC1	ZINC001087443831	809801991	/nfs/dbraw/zinc/80/19/91/809801991.db2.gz	INWRMDCVDXDKEW-NHCUHLMSSA-N	1	0	364.493	1.829	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000473361049	809805694	/nfs/dbraw/zinc/80/56/94/809805694.db2.gz	NJGMEMQTDNOBHA-INIZCTEOSA-N	1	0	370.453	1.422	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1	ZINC001087444740	809832566	/nfs/dbraw/zinc/83/25/66/809832566.db2.gz	SQYZCKPRFJFKQA-QRVBRYPASA-N	1	0	368.481	1.527	20	30		FDEDRO
COC(=O)c1cccc(NC2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)c1	ZINC000424168358	815322178	/nfs/dbraw/zinc/32/21/78/815322178.db2.gz	GIGJFUDTOAVGRF-KRWDZBQOSA-N	1	0	358.442	1.897	20	30		FDEDRO
C[C@@H]1CC[N@H+](CCNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000894100316	809977605	/nfs/dbraw/zinc/97/76/05/809977605.db2.gz	YPYGXRRSYQHLDX-QAPCUYQASA-N	1	0	369.469	1.695	20	30		FDEDRO
CC#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCC(=O)N2)C1	ZINC001087453669	810039519	/nfs/dbraw/zinc/03/95/19/810039519.db2.gz	FFFCVNDYEPNAEE-KZNAEPCWSA-N	1	0	357.429	1.402	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1	ZINC001087454373	810045533	/nfs/dbraw/zinc/04/55/33/810045533.db2.gz	QNFQVRDSPVIMPF-BHIYHBOVSA-N	1	0	371.456	1.649	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cc2nnc(C)[nH]2)C1	ZINC001087455216	810069115	/nfs/dbraw/zinc/06/91/15/810069115.db2.gz	IDRQJWRHCVFLDL-IAGOWNOFSA-N	1	0	357.433	1.955	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc(C(N)=O)c2)C[C@H]1C(F)(F)F	ZINC001112122403	810110167	/nfs/dbraw/zinc/11/01/67/810110167.db2.gz	LSUGJALNINOMJB-ZIAGYGMSSA-N	1	0	355.360	1.954	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1	ZINC001087457596	810203608	/nfs/dbraw/zinc/20/36/08/810203608.db2.gz	IOKDODSKMBBHLH-BRWVUGGUSA-N	1	0	360.433	1.357	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@]3(C)CN(C(=O)[C@@H]4C[C@H]4CC)C[C@@]3(C)C2)C1=O	ZINC000982573624	810402200	/nfs/dbraw/zinc/40/22/00/810402200.db2.gz	BGJKSSDAYVORFN-PELSAHOSSA-N	1	0	359.514	1.990	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C(N)=O)cc4)C[C@H]32)c[nH]1	ZINC001075698687	815367661	/nfs/dbraw/zinc/36/76/61/815367661.db2.gz	GLQZXIHYZNHGIF-MAUKXSAKSA-N	1	0	363.421	1.332	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](Cc3ccnn3C)C[C@]2(C)C1	ZINC000982573820	810406590	/nfs/dbraw/zinc/40/65/90/810406590.db2.gz	FTFNVOCTWPIRSP-BWPNAZKDSA-N	1	0	358.486	1.682	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(C)nc1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1	ZINC000261736030	810552638	/nfs/dbraw/zinc/55/26/38/810552638.db2.gz	KADCFVIDEICGGO-LJQANCHMSA-N	1	0	372.473	1.166	20	30		FDEDRO
COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)cc1	ZINC000424540646	815387477	/nfs/dbraw/zinc/38/74/77/815387477.db2.gz	GRHXNKZSTKQUMF-NZPGVSJUSA-N	1	0	370.453	1.065	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)cn1	ZINC000728982470	810901167	/nfs/dbraw/zinc/90/11/67/810901167.db2.gz	BMCMNEZIMZWPLL-UHFFFAOYSA-N	1	0	368.481	1.517	20	30		FDEDRO
C=CCCn1cc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)nn1	ZINC000424756212	815430409	/nfs/dbraw/zinc/43/04/09/815430409.db2.gz	GAIRKFPBOAXCIL-SFHVURJKSA-N	1	0	369.469	1.741	20	30		FDEDRO
C[NH+]=C(N[C@@H]1C[C@@H]1Cc1ccccc1)N1CCN(C[C@H]2CCOC2)CC1	ZINC000261613180	811285420	/nfs/dbraw/zinc/28/54/20/811285420.db2.gz	AKWWEHBZXCREMA-HSALFYBXSA-N	1	0	356.514	1.847	20	30		FDEDRO
C[NH+]=C(NCCn1cnc2ccccc21)N1CCN(C[C@H]2CCOC2)CC1	ZINC000261706079	811301505	/nfs/dbraw/zinc/30/15/05/811301505.db2.gz	JNUWIQJROOIPNM-QGZVFWFLSA-N	1	0	370.501	1.266	20	30		FDEDRO
Cc1nn(C)c(C)c1CNC(NCc1nnc(C)n1C)=[NH+]C1CCCC1	ZINC000261949650	811351189	/nfs/dbraw/zinc/35/11/89/811351189.db2.gz	GZWBVTSGKVNCNW-UHFFFAOYSA-N	1	0	358.494	1.652	20	30		FDEDRO
CC[NH+]=C(NCc1nnc2n1CCC2)N1CC[C@@H](C)[C@@H](n2ccnc2)C1	ZINC000261983425	811360690	/nfs/dbraw/zinc/36/06/90/811360690.db2.gz	PMWPULLFDMOXTJ-CABCVRRESA-N	1	0	356.478	1.469	20	30		FDEDRO
C=CC[NH+]=C(NCc1nnc(C)n1C)N1CC[C@@H](C)[C@@H](n2ccnc2)C1	ZINC000262001982	811365079	/nfs/dbraw/zinc/36/50/79/811365079.db2.gz	UQDYVPZDCVKNRI-ZBFHGGJFSA-N	1	0	356.478	1.535	20	30		FDEDRO
CN(C)C(=O)C[NH+]=C(NCc1ccco1)N[C@H]1CCc2ccccc2C1	ZINC000262261150	811426261	/nfs/dbraw/zinc/42/62/61/811426261.db2.gz	DWOIYVFYWGRIMB-KRWDZBQOSA-N	1	0	354.454	1.961	20	30		FDEDRO
[NH2+]=C(NCc1ccnc(N2CCCC2)c1)N1CCN(c2ncccn2)CC1	ZINC000262309917	811438266	/nfs/dbraw/zinc/43/82/66/811438266.db2.gz	OWGDPHUOOKYUQK-UHFFFAOYSA-N	1	0	366.473	1.109	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@@H]1CCN(c2ccccc2)C1)=[NH+]C1CCOCC1	ZINC000262326848	811442383	/nfs/dbraw/zinc/44/23/83/811442383.db2.gz	UECMJXGXOYUTNJ-QGZVFWFLSA-N	1	0	373.501	1.068	20	30		FDEDRO
CN(C)C(=O)C[NH+]=C(NCc1ccnn1C)N[C@H]1CCOc2ccccc21	ZINC000262330747	811443255	/nfs/dbraw/zinc/44/32/55/811443255.db2.gz	UYBAHBMFSINBSJ-INIZCTEOSA-N	1	0	370.457	1.067	20	30		FDEDRO
CC[NH+]=C(NCc1cc2c(cc1OC)C[C@H](C)O2)N1CCN(C(C)=O)CC1	ZINC000262748221	811544366	/nfs/dbraw/zinc/54/43/66/811544366.db2.gz	FKFDXDNEDLSRQX-AWEZNQCLSA-N	1	0	374.485	1.648	20	30		FDEDRO
C=CCC1(C(=O)N2CCC([NH+](CCOC)CCOC)CC2)CCOCC1	ZINC000424834564	815457998	/nfs/dbraw/zinc/45/79/98/815457998.db2.gz	KWTRLXQLNTURBX-UHFFFAOYSA-N	1	0	368.518	1.945	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](CNC(=O)[C@]34C[C@H]3CCC4)C2)CC1	ZINC000982866852	811755552	/nfs/dbraw/zinc/75/55/52/811755552.db2.gz	QXABXAFWAKLJAW-HGHGUNKESA-N	1	0	357.498	1.487	20	30		FDEDRO
N#CC1(CNC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCC1	ZINC000419406951	811928013	/nfs/dbraw/zinc/92/80/13/811928013.db2.gz	VWIDUVLRQOAQIJ-UHFFFAOYSA-N	1	0	355.486	1.797	20	30		FDEDRO
CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCC3(C#N)CCC3)c2)CC1	ZINC000419817803	812211237	/nfs/dbraw/zinc/21/12/37/812211237.db2.gz	MWYSZPUXOLZLID-UHFFFAOYSA-N	1	0	369.469	1.577	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)[C@H]1CCC[NH2+]C1	ZINC000419882681	812275207	/nfs/dbraw/zinc/27/52/07/812275207.db2.gz	IOYKYBLOXQPTHQ-DSLXNQLJSA-N	1	0	368.481	1.789	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)NCC[C@H]1CCC[NH2+]1	ZINC000419943797	812309239	/nfs/dbraw/zinc/30/92/39/812309239.db2.gz	HUPWYNNYFAXCLY-KURKYZTESA-N	1	0	354.454	1.543	20	30		FDEDRO
Cc1cc(C(=O)NC[C@@](C)(O)CC[NH+](C)C)nn1-c1cccc(C#N)c1	ZINC000420010514	813396577	/nfs/dbraw/zinc/39/65/77/813396577.db2.gz	HAVFWIUVZNDVFI-IBGZPJMESA-N	1	0	355.442	1.485	20	30		FDEDRO
C=CCCCCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1	ZINC000420085252	813444764	/nfs/dbraw/zinc/44/47/64/813444764.db2.gz	AWBMVDFOVSHDHB-WMLDXEAASA-N	1	0	365.424	1.999	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000420149877	813510585	/nfs/dbraw/zinc/51/05/85/813510585.db2.gz	WBIWDGIHAONHRR-RDTXWAMCSA-N	1	0	370.453	1.042	20	30		FDEDRO
CC1(C)CCCc2cc(C#N)c(N3CCC[C@H](C(=O)NCC[NH3+])C3)nc21	ZINC000420177079	813515853	/nfs/dbraw/zinc/51/58/53/813515853.db2.gz	YGOPRRFHQZZBJK-HNNXBMFYSA-N	1	0	355.486	1.858	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1	ZINC000501965016	813764042	/nfs/dbraw/zinc/76/40/42/813764042.db2.gz	SHIKCQOMFPOBMI-INIZCTEOSA-N	1	0	367.534	1.910	20	30		FDEDRO
CN(C)c1cnc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cn1	ZINC000502078337	813814419	/nfs/dbraw/zinc/81/44/19/813814419.db2.gz	VRMHFQUQEFQNLE-UHFFFAOYSA-N	1	0	352.442	1.618	20	30		FDEDRO
CC(C)(CC#N)CNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1	ZINC000420838086	813824484	/nfs/dbraw/zinc/82/44/84/813824484.db2.gz	CMJYTJMAHZCSNW-QGZVFWFLSA-N	1	0	356.470	1.996	20	30		FDEDRO
C[C@@H]1CC[C@@H](O)C[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000421008265	813912192	/nfs/dbraw/zinc/91/21/92/813912192.db2.gz	IBONRZUTCTVJDW-ATZDWAIDSA-N	1	0	374.460	1.380	20	30		FDEDRO
CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000421308401	814068335	/nfs/dbraw/zinc/06/83/35/814068335.db2.gz	YGPAGEZOFHITEP-GFCCVEGCSA-N	1	0	366.368	1.651	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C	ZINC000421294178	814078760	/nfs/dbraw/zinc/07/87/60/814078760.db2.gz	GCXYYBFXWBWAKA-OAHLLOKOSA-N	1	0	358.442	1.837	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000983068209	814300576	/nfs/dbraw/zinc/30/05/76/814300576.db2.gz	VSFJTBNBZXHPSJ-MBOZVWFJSA-N	1	0	367.493	1.515	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C)c(C)o4)[C@@H]3C2)C1=O	ZINC001075689525	814454728	/nfs/dbraw/zinc/45/47/28/814454728.db2.gz	PMTGMXPYYHCLGE-GVDBMIGSSA-N	1	0	357.454	1.830	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000271777825	814476734	/nfs/dbraw/zinc/47/67/34/814476734.db2.gz	GKXLQJMODVYPQK-JJLJGCLUSA-N	1	0	364.446	1.548	20	30		FDEDRO
CN(c1ccc(NC(=O)C(=O)NCCCC#N)cc1)C1CC[NH+](C)CC1	ZINC000273114726	814788088	/nfs/dbraw/zinc/78/80/88/814788088.db2.gz	NNLOXCDFNZLASC-UHFFFAOYSA-N	1	0	357.458	1.575	20	30		FDEDRO
CN(C(=[NH2+])NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1)C1CC1	ZINC000273339572	814793016	/nfs/dbraw/zinc/79/30/16/814793016.db2.gz	MHEAWIVTASKKOM-INIZCTEOSA-N	1	0	360.458	1.270	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)s1	ZINC001028698141	814802103	/nfs/dbraw/zinc/80/21/03/814802103.db2.gz	AIQHKCYJODBTSI-XTENKEOPSA-N	1	0	357.479	1.981	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1	ZINC001028801553	815676422	/nfs/dbraw/zinc/67/64/22/815676422.db2.gz	YPRRJPUIDJSPKS-OKZBNKHCSA-N	1	0	354.454	1.221	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)Nc1nccs1	ZINC001167956909	815836012	/nfs/dbraw/zinc/83/60/12/815836012.db2.gz	NRIGEDVASYNPKA-ZFWWWQNUSA-N	1	0	366.487	1.549	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccc(C(C)(C)C#N)cc3)CC2)C1=O	ZINC000425316071	815978602	/nfs/dbraw/zinc/97/86/02/815978602.db2.gz	XOTKBPUJZMUZGO-GOSISDBHSA-N	1	0	368.481	1.913	20	30		FDEDRO
CN(CCC#N)C(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1	ZINC000283394329	816009199	/nfs/dbraw/zinc/00/91/99/816009199.db2.gz	WCZUFXYVWVYSHX-UHFFFAOYSA-N	1	0	371.485	1.775	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000425388001	816064688	/nfs/dbraw/zinc/06/46/88/816064688.db2.gz	RTJSEWNXBMEICW-CRAIPNDOSA-N	1	0	352.438	1.550	20	30		FDEDRO
Cn1ncc(C(=O)N2CC[C@H]3CN(Cc4ccc(C#N)c(F)c4)C[C@H]32)c1N	ZINC001075717765	816073572	/nfs/dbraw/zinc/07/35/72/816073572.db2.gz	LLWBPMSDLMKFPH-WMLDXEAASA-N	1	0	368.416	1.360	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001028856618	816244465	/nfs/dbraw/zinc/24/44/65/816244465.db2.gz	LOZGNIIYWVYAAZ-VDZJLULYSA-N	1	0	354.454	1.062	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001028856617	816244573	/nfs/dbraw/zinc/24/45/73/816244573.db2.gz	LOZGNIIYWVYAAZ-HHXXYDBFSA-N	1	0	354.454	1.062	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC000425446503	816298431	/nfs/dbraw/zinc/29/84/31/816298431.db2.gz	PDOGWELDGUROEG-QAPCUYQASA-N	1	0	371.485	1.848	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(OC)nn2)C1	ZINC001028861877	816303632	/nfs/dbraw/zinc/30/36/32/816303632.db2.gz	FFSZZBBNCJMWBH-ZVZYQTTQSA-N	1	0	360.458	1.405	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)/C=C\c4ccc[nH]4)[C@@H]3C2)C1=O	ZINC001075731074	816753011	/nfs/dbraw/zinc/75/30/11/816753011.db2.gz	UMNUCJDIGHTXMV-IHPGBTGWSA-N	1	0	354.454	1.348	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCc2cccc(C#N)c2)CC1	ZINC000516803282	817028373	/nfs/dbraw/zinc/02/83/73/817028373.db2.gz	MOQZIWPMRMWKLK-UHFFFAOYSA-N	1	0	371.485	1.343	20	30		FDEDRO
C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1	ZINC000437403895	817071750	/nfs/dbraw/zinc/07/17/50/817071750.db2.gz	ADOWTTZHHVHPNV-CYBMUJFWSA-N	1	0	359.430	1.133	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(C#N)n2)C[N@@H+]1Cc1ccccc1	ZINC000516969411	817136383	/nfs/dbraw/zinc/13/63/83/817136383.db2.gz	CUUXXTKQJOCSHG-YOEHRIQHSA-N	1	0	363.421	1.671	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1	ZINC000425867606	817252506	/nfs/dbraw/zinc/25/25/06/817252506.db2.gz	HOBSXRTUYIBPIE-KUHUBIRLSA-N	1	0	374.510	1.631	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1	ZINC000425871121	817272483	/nfs/dbraw/zinc/27/24/83/817272483.db2.gz	MGDXFUMWHDKHAC-FHWLQOOXSA-N	1	0	371.481	1.647	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1	ZINC000425880830	817288111	/nfs/dbraw/zinc/28/81/11/817288111.db2.gz	CCNMJBVCZNXDAE-XSLAGTTESA-N	1	0	357.454	1.255	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1	ZINC000425907130	817358659	/nfs/dbraw/zinc/35/86/59/817358659.db2.gz	BGDWRRYEZFQUGI-ROUUACIJSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C)o1	ZINC000425910091	817364130	/nfs/dbraw/zinc/36/41/30/817364130.db2.gz	SUXOOVAIMWGKAX-RDJZCZTQSA-N	1	0	363.458	1.186	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1	ZINC000425909977	817365623	/nfs/dbraw/zinc/36/56/23/817365623.db2.gz	SAOOTSMZBRUAKW-CVEARBPZSA-N	1	0	356.470	1.926	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]CCNC(=O)c2ccccc2Cl)cc1	ZINC000517358711	817399857	/nfs/dbraw/zinc/39/98/57/817399857.db2.gz	MGSDREGUYDVGNZ-HNNXBMFYSA-N	1	0	373.840	1.971	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCN(C)C(=O)C2)c(OC)c1	ZINC000517733160	817554179	/nfs/dbraw/zinc/55/41/79/817554179.db2.gz	VARYQOVMDUVZQJ-DLBZAZTESA-N	1	0	362.470	1.621	20	30		FDEDRO
Cn1nccc1N1CCC[C@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000518170842	817765522	/nfs/dbraw/zinc/76/55/22/817765522.db2.gz	HTXYHRCUMPGQHB-INIZCTEOSA-N	1	0	373.482	1.324	20	30		FDEDRO
C[NH+]=C(NCC(=O)NCc1ccco1)N1CC[C@H](C)[C@@H](n2ccnc2)C1	ZINC000261962845	817813810	/nfs/dbraw/zinc/81/38/10/817813810.db2.gz	KQKNZYBKZIMZDU-HOCLYGCPSA-N	1	0	358.446	1.251	20	30		FDEDRO
CC[NH+]=C(NCc1ccnc(N2CCOCC2)c1)N1CC[C@]2(CCOC2)C1	ZINC000261996003	818004463	/nfs/dbraw/zinc/00/44/63/818004463.db2.gz	SLDAZRSXFOVDEB-FQEVSTJZSA-N	1	0	373.501	1.496	20	30		FDEDRO
N#Cc1ccc([C@@H]([NH2+]CCCN2c3ccccc3OCC2=O)C(N)=O)cc1	ZINC000439616480	818021414	/nfs/dbraw/zinc/02/14/14/818021414.db2.gz	RPMQFBQRAPRWLA-LJQANCHMSA-N	1	0	364.405	1.490	20	30		FDEDRO
N#Cc1ncn(CC[NH2+][C@@H]2CCCN(C(=O)OCc3ccccc3)C2)n1	ZINC000894419455	818035136	/nfs/dbraw/zinc/03/51/36/818035136.db2.gz	FCNOYLXZNIRUNK-MRXNPFEDSA-N	1	0	354.414	1.541	20	30		FDEDRO
C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000894422288	818048118	/nfs/dbraw/zinc/04/81/18/818048118.db2.gz	IVGYAAREMJGJJY-BZSNNMDCSA-N	1	0	367.453	1.005	20	30		FDEDRO
C=C(Br)CN1C[C@@H]2CCN(C(=O)Cc3nnc(C)o3)[C@@H]2C1	ZINC001075761832	818082356	/nfs/dbraw/zinc/08/23/56/818082356.db2.gz	BIPLLVHWYKMUOZ-NWDGAFQWSA-N	1	0	355.236	1.362	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO	ZINC000894500784	818131764	/nfs/dbraw/zinc/13/17/64/818131764.db2.gz	WLUJSYZJYSHBKJ-IPMKNSEASA-N	1	0	354.454	1.786	20	30		FDEDRO
COc1ccc([C@@H]2CC[N@H+](CCO)C[C@@H]2NC(=O)c2ccc(C#N)[nH]2)cc1	ZINC001087473454	818215029	/nfs/dbraw/zinc/21/50/29/818215029.db2.gz	FMCQXQUGVNSZDA-HKUYNNGSSA-N	1	0	368.437	1.475	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)Cc2nnc(C)[nH]2)C1	ZINC001087474077	818245301	/nfs/dbraw/zinc/24/53/01/818245301.db2.gz	LAWJYMFABGIXEI-ROUUACIJSA-N	1	0	369.469	1.825	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1	ZINC001087474286	818247892	/nfs/dbraw/zinc/24/78/92/818247892.db2.gz	WDHUTCNTWDRISY-ULQDDVLXSA-N	1	0	359.426	1.264	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CCCC(=O)N2)C1	ZINC001087474739	818280981	/nfs/dbraw/zinc/28/09/81/818280981.db2.gz	WSOOPCDVTSEACL-OTWHNJEPSA-N	1	0	371.481	1.824	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1	ZINC000519611160	818823659	/nfs/dbraw/zinc/82/36/59/818823659.db2.gz	LBZIXNAXINAVEV-INIZCTEOSA-N	1	0	374.416	1.349	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccncc4C)[C@@H]3C2)C1=O	ZINC001075769955	818919785	/nfs/dbraw/zinc/91/97/85/818919785.db2.gz	ZGFPNLWPUMTLOH-CGTJXYLNSA-N	1	0	354.454	1.323	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]Cc2csnn2)CC1	ZINC001029146218	818933873	/nfs/dbraw/zinc/93/38/73/818933873.db2.gz	NNIWBAYLFKUJJY-WQVCFCJDSA-N	1	0	350.488	1.846	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(C)[nH]c1=O)C2	ZINC001112535807	819120906	/nfs/dbraw/zinc/12/09/06/819120906.db2.gz	BIWOSVQNOQYABR-JXFKEZNVSA-N	1	0	357.454	1.577	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2CNC(=O)[C@@H]2C[C@H]2C2CC2)CC1	ZINC000937420805	819126116	/nfs/dbraw/zinc/12/61/16/819126116.db2.gz	QRGMLLQGYDPPMS-SLFFLAALSA-N	1	0	371.525	1.875	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C2=COCCO2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001087493431	819214044	/nfs/dbraw/zinc/21/40/44/819214044.db2.gz	VOBLHLYRDWSUKV-ZWKOTPCHSA-N	1	0	371.437	1.946	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(C(C)C)CCO2)C[C@H]1C(F)(F)F	ZINC001112151913	819223681	/nfs/dbraw/zinc/22/36/81/819223681.db2.gz	AUBAAPCWDJZIFT-KFWWJZLASA-N	1	0	361.408	1.098	20	30		FDEDRO
COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000520168481	819234672	/nfs/dbraw/zinc/23/46/72/819234672.db2.gz	AMKSMOAJFOWQNF-CRAIPNDOSA-N	1	0	372.469	1.038	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)cc1	ZINC000520220072	819258605	/nfs/dbraw/zinc/25/86/05/819258605.db2.gz	QIVSETHEXDRYNA-ZFWWWQNUSA-N	1	0	371.359	1.441	20	30		FDEDRO
N#CCc1ccc(CNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)cc1	ZINC000520411221	819340716	/nfs/dbraw/zinc/34/07/16/819340716.db2.gz	TVTPJKXCUPFXNI-UHFFFAOYSA-N	1	0	363.465	1.976	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](N2CCOCC2)C1	ZINC000520425465	819347382	/nfs/dbraw/zinc/34/73/82/819347382.db2.gz	WZUQLQPZSYVSGF-WOJBJXKFSA-N	1	0	360.498	1.951	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H]2CCC(=O)NC23CCC3)CC1	ZINC000328692629	819535757	/nfs/dbraw/zinc/53/57/57/819535757.db2.gz	JGLANPLBUDJQCY-HZPDHXFCSA-N	1	0	361.490	1.310	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](C)N3CCN(C)CC3)cn2)CC1	ZINC000328761385	819545902	/nfs/dbraw/zinc/54/59/02/819545902.db2.gz	XZEOYPQJZCBDTB-QGZVFWFLSA-N	1	0	374.533	1.316	20	30		FDEDRO
O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000328733857	819549440	/nfs/dbraw/zinc/54/94/40/819549440.db2.gz	HZSIMJRBYGMMJY-JKSUJKDBSA-N	1	0	364.490	1.986	20	30		FDEDRO
C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O)C(=O)N1CCCCC1	ZINC000328778408	819554626	/nfs/dbraw/zinc/55/46/26/819554626.db2.gz	IQDKSRGSPWGRMY-MWDXBVQZSA-N	1	0	367.490	1.206	20	30		FDEDRO
CC[NH+]1CCN(c2ccccc2NC(=O)N2C[C@@H]3COC[C@H](C2)O3)CC1	ZINC000328782563	819555973	/nfs/dbraw/zinc/55/59/73/819555973.db2.gz	HOZXJHMYZACASY-IYBDPMFKSA-N	1	0	360.458	1.474	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CC[N@H+](C)C2)cc1	ZINC000983803210	819574976	/nfs/dbraw/zinc/57/49/76/819574976.db2.gz	FPFONHPKICMOKM-UXPWSPDFSA-N	1	0	367.493	1.977	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1	ZINC000328883707	819576869	/nfs/dbraw/zinc/57/68/69/819576869.db2.gz	MILQSTBKFZNLOU-CPUCHLNUSA-N	1	0	368.428	1.232	20	30		FDEDRO
COC[C@@H]1C[C@H](OC)CN1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000328991596	819606738	/nfs/dbraw/zinc/60/67/38/819606738.db2.gz	FPOOXECWOLPHHT-WNRNVDISSA-N	1	0	369.506	1.404	20	30		FDEDRO
CC(C)[N@H+](C)CCNC(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1	ZINC000330898598	819653462	/nfs/dbraw/zinc/65/34/62/819653462.db2.gz	VCAOCSKCNCSLFI-UHFFFAOYSA-N	1	0	362.478	1.135	20	30		FDEDRO
CNC(=O)c1cccc(CCC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1	ZINC000331300369	819677290	/nfs/dbraw/zinc/67/72/90/819677290.db2.gz	QVHDRNFENMLCMI-OAHLLOKOSA-N	1	0	361.486	1.857	20	30		FDEDRO
Cc1cc(C)cc(OCCN2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)c1	ZINC001083413521	820019660	/nfs/dbraw/zinc/01/96/60/820019660.db2.gz	SCCWMOMJLHNJOD-MOPGFXCFSA-N	1	0	368.437	1.357	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccc(C)nc3)[C@H]2CC)C1=O	ZINC001087506653	820023270	/nfs/dbraw/zinc/02/32/70/820023270.db2.gz	GTPYUCNGJWFWMZ-KSZLIROESA-N	1	0	356.470	1.760	20	30		FDEDRO
C=CCCC(C)(C)NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1	ZINC000665128294	820212848	/nfs/dbraw/zinc/21/28/48/820212848.db2.gz	OKQFSCOGUVXHIY-UHFFFAOYSA-N	1	0	352.523	1.827	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2C[C@@H]2C)CC1	ZINC000983982708	820368744	/nfs/dbraw/zinc/36/87/44/820368744.db2.gz	VFLYRZZZIXRDGE-NEPXVJNWSA-N	1	0	359.514	1.731	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1occc1C[NH+](C)C	ZINC000984038609	820630998	/nfs/dbraw/zinc/63/09/98/820630998.db2.gz	SXMDSEZLWWMARP-YCPHGPKFSA-N	1	0	360.458	1.858	20	30		FDEDRO
C=C(Cl)CN1C[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1	ZINC001075804173	820676838	/nfs/dbraw/zinc/67/68/38/820676838.db2.gz	ZLALSEWYDOKFIP-GOEBONIOSA-N	1	0	351.882	1.344	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000984093557	820839551	/nfs/dbraw/zinc/83/95/51/820839551.db2.gz	HWUVGOLVHZIQAI-VNQPRFMTSA-N	1	0	357.458	1.290	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]CC(=O)N2CCc3ccccc32)cc1	ZINC000520798594	820924877	/nfs/dbraw/zinc/92/48/77/820924877.db2.gz	YDUFOFYPTGEWJR-KRWDZBQOSA-N	1	0	351.406	1.477	20	30		FDEDRO
C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000441832881	820943403	/nfs/dbraw/zinc/94/34/03/820943403.db2.gz	KPKJQMOWYKSWFE-UHFFFAOYSA-N	1	0	372.347	1.210	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC[N@@H+]1C	ZINC000442152172	821070833	/nfs/dbraw/zinc/07/08/33/821070833.db2.gz	FFTDSYYJGPLJPZ-GOEBONIOSA-N	1	0	358.442	1.907	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1CCCN1CCCC1=O	ZINC001087541424	821119389	/nfs/dbraw/zinc/11/93/89/821119389.db2.gz	PZCITJIHHCBTIM-DOTOQJQBSA-N	1	0	357.458	1.482	20	30		FDEDRO
C[NH+]=C(NC[C@@H](O)C1CCCCC1)N1CCN(Cc2cc(C)on2)CC1	ZINC000262162871	821242956	/nfs/dbraw/zinc/24/29/56/821242956.db2.gz	BIQCJDIQRMBWOC-GOSISDBHSA-N	1	0	363.506	1.617	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)cc1	ZINC000521609814	821312779	/nfs/dbraw/zinc/31/27/79/821312779.db2.gz	WQQQCPARXPRYAB-KRWDZBQOSA-N	1	0	353.426	1.976	20	30		FDEDRO
COCCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1cccc(F)c1C#N	ZINC001126538438	821420401	/nfs/dbraw/zinc/42/04/01/821420401.db2.gz	QZXABEKNAIEIHT-HUUCEWRRSA-N	1	0	362.449	1.607	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cnnn2C)CCN1Cc1cc(C#N)ccc1F	ZINC001087559288	821467067	/nfs/dbraw/zinc/46/70/67/821467067.db2.gz	BNRAYNIOYPNBLP-JKSUJKDBSA-N	1	0	356.405	1.609	20	30		FDEDRO
N#Cc1cc(NCCC[N@H+]2CCC[C@H]2C(N)=O)nc2ccc([N+](=O)[O-])cc12	ZINC000443450242	821549838	/nfs/dbraw/zinc/54/98/38/821549838.db2.gz	VGFZGGQBVXHJSH-INIZCTEOSA-N	1	0	368.397	1.766	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc4n(n3)CCC4)[C@H]2CC)C1=O	ZINC001087595045	821618528	/nfs/dbraw/zinc/61/85/28/821618528.db2.gz	LLHXVLSKOSXIPC-CGTJXYLNSA-N	1	0	371.485	1.199	20	30		FDEDRO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1(O)CN(C(=O)OC(C)(C)C)C1	ZINC000895206911	821852468	/nfs/dbraw/zinc/85/24/68/821852468.db2.gz	NQTRVMSILSOZAG-AWEZNQCLSA-N	1	0	353.463	1.657	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3c(C)cnn3C)[C@H]2CC)C1=O	ZINC001087692081	822065486	/nfs/dbraw/zinc/06/54/86/822065486.db2.gz	CDZSQMYLIUIZMV-ARFHVFGLSA-N	1	0	359.474	1.098	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCc2nc(C)no2)[C@@H]1CC	ZINC001087732155	822276252	/nfs/dbraw/zinc/27/62/52/822276252.db2.gz	FEJVNTURSHYCHV-TWMKSMIVSA-N	1	0	362.474	1.871	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCN(CC=C)C3=O)[C@@H]2CC)cn1	ZINC001087801171	822460716	/nfs/dbraw/zinc/46/07/16/822460716.db2.gz	AQGWZBLUEAPUTI-IPMKNSEASA-N	1	0	366.465	1.433	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)CN2C(=O)CCC2=O)CCN1Cc1ccccc1C#N	ZINC001087822700	822504648	/nfs/dbraw/zinc/50/46/48/822504648.db2.gz	FSBFFUUSCFMZPI-DLBZAZTESA-N	1	0	368.437	1.176	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)CN2C(=O)CCC2=O)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087822795	822505082	/nfs/dbraw/zinc/50/50/82/822505082.db2.gz	KFGCKYMKIVVCLM-ZWKOTPCHSA-N	1	0	367.449	1.156	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cncnc3CC)[C@H]2CC)C1=O	ZINC001087831871	822528583	/nfs/dbraw/zinc/52/85/83/822528583.db2.gz	KEEBRPXXCWODDG-KSZLIROESA-N	1	0	371.485	1.409	20	30		FDEDRO
COc1ccc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)c(O)c1OC	ZINC000895493002	822624256	/nfs/dbraw/zinc/62/42/56/822624256.db2.gz	KAYBJKVIDPMNCW-UHFFFAOYSA-N	1	0	354.410	1.998	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCc4ccccc43)C[C@@H]2O)c[nH]1	ZINC001083418454	822632677	/nfs/dbraw/zinc/63/26/77/822632677.db2.gz	KHTKURZLEHTNSH-QRVBRYPASA-N	1	0	350.422	1.739	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3nc[nH]c3C2)C[C@H]1C(F)(F)F	ZINC001112190322	828530637	/nfs/dbraw/zinc/53/06/37/828530637.db2.gz	VZAKUADQQAOPBH-LALPHHSUSA-N	1	0	354.376	1.517	20	30		FDEDRO
C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@H](C)n3nnnc3C(C)(C)C)[C@@H]2C1	ZINC001075869278	828532570	/nfs/dbraw/zinc/53/25/70/828532570.db2.gz	KKRNUKDAEKRNMR-MELADBBJSA-N	1	0	366.897	1.817	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)C3CCCCC3)CC[C@@H]2C1	ZINC001087909159	823754767	/nfs/dbraw/zinc/75/47/67/823754767.db2.gz	ATUGFGNUKJDZIO-BBWFWOEESA-N	1	0	360.502	1.717	20	30		FDEDRO
CNC(=O)c1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]3C2)cc1	ZINC001087911021	823770408	/nfs/dbraw/zinc/77/04/08/823770408.db2.gz	HFIAFUNTKQJZNB-OLMNPRSZSA-N	1	0	354.454	1.486	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3cn(C)nc3C(F)F)CC[C@@H]2C1	ZINC001087911128	823771435	/nfs/dbraw/zinc/77/14/35/823771435.db2.gz	KYSFPQCSCAXNJZ-UPJWGTAASA-N	1	0	351.401	1.798	20	30		FDEDRO
Cc1c(C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cnn1CCC#N	ZINC000896023215	823943207	/nfs/dbraw/zinc/94/32/07/823943207.db2.gz	GQVVLQRFPUWKNI-CALCHBBNSA-N	1	0	372.517	1.736	20	30		FDEDRO
C#CCN1CCC[C@@H]([NH2+]C2CCN(CCNC(=O)OC(C)(C)C)CC2)C1	ZINC000896044121	823976700	/nfs/dbraw/zinc/97/67/00/823976700.db2.gz	XJCCNDLIIVHGGC-GOSISDBHSA-N	1	0	364.534	1.663	20	30		FDEDRO
Cn1ncc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4)CC[C@@H]3C2)c1N	ZINC001087942993	824030051	/nfs/dbraw/zinc/03/00/51/824030051.db2.gz	CROPUXPFVWBMOR-SJORKVTESA-N	1	0	364.453	1.468	20	30		FDEDRO
COc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]3C2)sn1	ZINC001087940509	824036781	/nfs/dbraw/zinc/03/67/81/824036781.db2.gz	LWDLGIZOBUNPIE-OCCSQVGLSA-N	1	0	371.466	1.946	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)CC4OCCCO4)C[C@@H]3C2)c1	ZINC001087944869	824049928	/nfs/dbraw/zinc/04/99/28/824049928.db2.gz	UTTZTNWFHUTTLW-MOPGFXCFSA-N	1	0	369.465	1.992	20	30		FDEDRO
CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1	ZINC001087961955	824182955	/nfs/dbraw/zinc/18/29/55/824182955.db2.gz	RFXLQTINSYXTPE-HSALFYBXSA-N	1	0	371.525	1.971	20	30		FDEDRO
C#CCN(CC)C(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1	ZINC000840473007	824206104	/nfs/dbraw/zinc/20/61/04/824206104.db2.gz	PYLDBVDHGYIHLT-UHFFFAOYSA-N	1	0	356.470	1.549	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C(C)(F)F)C[C@@H]3C2)CC1	ZINC000985631246	828627190	/nfs/dbraw/zinc/62/71/90/828627190.db2.gz	DAOIFBVKBGZHPP-CVEARBPZSA-N	1	0	367.440	1.294	20	30		FDEDRO
C=C(Cl)CN1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@@H]2C1	ZINC001087969966	824264786	/nfs/dbraw/zinc/26/47/86/824264786.db2.gz	XTGNHIHNOXAVHX-CVEARBPZSA-N	1	0	365.909	1.591	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(Cn4cccn4)o3)C[C@@H]2C1	ZINC001087976002	824317128	/nfs/dbraw/zinc/31/71/28/824317128.db2.gz	TZGFINLZYMXZOW-SJORKVTESA-N	1	0	352.438	1.942	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C	ZINC000329021665	824534827	/nfs/dbraw/zinc/53/48/27/824534827.db2.gz	ICSXWLYXXQMQIE-JFIYKMOQSA-N	1	0	363.506	1.870	20	30		FDEDRO
CCC(=O)N1CCC[C@H](C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)C1	ZINC000329053029	824548953	/nfs/dbraw/zinc/54/89/53/824548953.db2.gz	AFJSSBBCXPYONK-HOCLYGCPSA-N	1	0	364.490	1.287	20	30		FDEDRO
CC(=O)N1CCC(CNC(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1	ZINC000329097305	824580463	/nfs/dbraw/zinc/58/04/63/824580463.db2.gz	LPEGADLIWUUIEW-UHFFFAOYSA-N	1	0	373.501	1.808	20	30		FDEDRO
CN1C(=O)N[C@@H]2CN(C(=O)N[C@H]3CCc4nc(C(C)(C)C)cn4C3)CC[C@@H]21	ZINC000329128604	824613238	/nfs/dbraw/zinc/61/32/38/824613238.db2.gz	NLYWUNLZBQYILJ-MJBXVCDLSA-N	1	0	374.489	1.712	20	30		FDEDRO
CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)NCCN1CCOC(C)(C)C1	ZINC000329127254	824613338	/nfs/dbraw/zinc/61/33/38/824613338.db2.gz	MWVWLFMBOWCLRZ-GJZGRUSLSA-N	1	0	365.478	1.347	20	30		FDEDRO
CC(C)[C@H](C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1)N1CCCC1=O	ZINC000329160713	824637735	/nfs/dbraw/zinc/63/77/35/824637735.db2.gz	FIJFTVXLRCNXJW-DOTOQJQBSA-N	1	0	364.490	1.285	20	30		FDEDRO
COC(=O)CN(C)C(=O)CC[NH+]1CCC(Oc2cccc(C#N)c2)CC1	ZINC000525623381	828675280	/nfs/dbraw/zinc/67/52/80/828675280.db2.gz	ZDOBXQFTWWKKSN-UHFFFAOYSA-N	1	0	359.426	1.423	20	30		FDEDRO
Cc1c(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)cnn1C(C)(C)C	ZINC000329205583	824666192	/nfs/dbraw/zinc/66/61/92/824666192.db2.gz	XWCKEHMRLNOOKA-MRXNPFEDSA-N	1	0	361.490	1.946	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@@H]([NH+]3CCCCC3)C2)CC1	ZINC000329209163	824666818	/nfs/dbraw/zinc/66/68/18/824666818.db2.gz	BYYOCFWZLSHDQR-RTBURBONSA-N	1	0	361.534	1.239	20	30		FDEDRO
Cc1noc([C@@H]2CN(C(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)CCN2C)n1	ZINC000329210790	824670840	/nfs/dbraw/zinc/67/08/40/824670840.db2.gz	YWWHLVBRRYAFHF-CVEARBPZSA-N	1	0	362.478	1.597	20	30		FDEDRO
Cc1noc2ncc(C(=O)NC3CC[NH+]([C@H]4CCN(C)C4=O)CC3)cc12	ZINC000329210925	824671783	/nfs/dbraw/zinc/67/17/83/824671783.db2.gz	ZUQWAIPQQBDHSQ-HNNXBMFYSA-N	1	0	357.414	1.531	20	30		FDEDRO
O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCOC[C@@H]1[C@@H]1CCCO1	ZINC000329238170	824687553	/nfs/dbraw/zinc/68/75/53/824687553.db2.gz	PMNHSMZNUQBHIS-SJORKVTESA-N	1	0	367.490	1.425	20	30		FDEDRO
Cc1nc([C@@H]2CCCN2C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)no1	ZINC000329397135	824770127	/nfs/dbraw/zinc/77/01/27/824770127.db2.gz	UVFCQNLXRJZODB-ZBFHGGJFSA-N	1	0	363.462	1.930	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C2CCOCC2)CC1	ZINC000329429526	824782555	/nfs/dbraw/zinc/78/25/55/824782555.db2.gz	HWVPWZLVLHROGW-RTBURBONSA-N	1	0	362.518	1.570	20	30		FDEDRO
Cc1noc([C@H](C)N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)n1	ZINC000329485370	824829770	/nfs/dbraw/zinc/82/97/70/824829770.db2.gz	SOJYHAASYNZKJZ-NUEKZKHPSA-N	1	0	362.478	1.597	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)C[N@@H+]1CC[C@H](C)C1	ZINC000984782194	824878930	/nfs/dbraw/zinc/87/89/30/824878930.db2.gz	IVNBAPGEHODCBJ-JLJPHGGASA-N	1	0	357.458	1.337	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(=O)[nH]c4ncn(C)c43)C[C@@H]2C1	ZINC001087990171	824932577	/nfs/dbraw/zinc/93/25/77/824932577.db2.gz	QYKALFFENIVSAP-KGLIPLIRSA-N	1	0	355.442	1.644	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CNC(=O)c4ccccc43)C[C@@H]2C1	ZINC001087996872	825007385	/nfs/dbraw/zinc/00/73/85/825007385.db2.gz	YDBDUUHNHJAOGO-GJYPPUQNSA-N	1	0	353.466	1.870	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1	ZINC000329628411	825047189	/nfs/dbraw/zinc/04/71/89/825047189.db2.gz	UQNYUVIFEUVJHN-DLBZAZTESA-N	1	0	359.474	1.136	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C[C@@H]2C1	ZINC001088013281	825259263	/nfs/dbraw/zinc/25/92/63/825259263.db2.gz	ZCESDUIAWNVCHS-BARDWOONSA-N	1	0	360.376	1.136	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cnc4ccc(OC)nn43)C[C@@H]2C1	ZINC001088017681	825288828	/nfs/dbraw/zinc/28/88/28/825288828.db2.gz	MKDPVSBFQVXUBQ-CABCVRRESA-N	1	0	353.426	1.155	20	30		FDEDRO
Cc1ccc(N2CCC[C@H](NC(=O)N(C)C[C@H]3CCC[N@H+](C)C3)C2)nn1	ZINC000329683078	825300915	/nfs/dbraw/zinc/30/09/15/825300915.db2.gz	SVGLQEHTYFLTSP-IRXDYDNUSA-N	1	0	360.506	1.941	20	30		FDEDRO
C=CCOCCNC(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1	ZINC000669555368	825504208	/nfs/dbraw/zinc/50/42/08/825504208.db2.gz	TYRDAZPPBAOYKH-UHFFFAOYSA-N	1	0	361.490	1.968	20	30		FDEDRO
CCN1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1c1ncc[nH]1	ZINC000329900231	825535030	/nfs/dbraw/zinc/53/50/30/825535030.db2.gz	FZYVEAKGYHIRTK-QGZVFWFLSA-N	1	0	360.506	1.672	20	30		FDEDRO
CN(C[C@@H]1C[C@H](F)CN1c1ccncn1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1	ZINC000329908721	825539555	/nfs/dbraw/zinc/53/95/55/825539555.db2.gz	LZHJKFHFIMMTQO-DZKIICNBSA-N	1	0	362.453	1.476	20	30		FDEDRO
C[C@@H]1OCC[C@]12CN(C(=O)NC1CC[NH+]([C@@H]3CCC[C@@H]3O)CC1)CCO2	ZINC000329928397	825546678	/nfs/dbraw/zinc/54/66/78/825546678.db2.gz	XWDUZCLQWWYWEW-RUENVJTFSA-N	1	0	367.490	1.158	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[C@H]3C3CC3)[C@H]2CC)CC1	ZINC000984934294	825551893	/nfs/dbraw/zinc/55/18/93/825551893.db2.gz	VJTBWIFWJDAFKG-ZGXWSNOMSA-N	1	0	371.525	1.873	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(CC(=O)Nc3ccc4c(c3)OCO4)C2)CC1	ZINC000329953298	825561578	/nfs/dbraw/zinc/56/15/78/825561578.db2.gz	NTRATAUHCSEGNZ-MRXNPFEDSA-N	1	0	360.458	1.715	20	30		FDEDRO
Cc1noc(C2CCN(C(=O)N[C@@H](C)CC[NH+]3CCN(C)CC3)CC2)n1	ZINC000329952956	825561989	/nfs/dbraw/zinc/56/19/89/825561989.db2.gz	NNKGFGXXRNXJTG-AWEZNQCLSA-N	1	0	364.494	1.497	20	30		FDEDRO
CC(C)(O)C[NH+]1CCN(C(=O)Nc2ccccc2O[C@@H]2CCOC2)CC1	ZINC000329955228	825562751	/nfs/dbraw/zinc/56/27/51/825562751.db2.gz	OFORNRIWVBDUKQ-OAHLLOKOSA-N	1	0	363.458	1.788	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C([O-])=[NH+]C[C@H]1CCc2nccn2C1	ZINC000329961696	825569017	/nfs/dbraw/zinc/56/90/17/825569017.db2.gz	RSXYSWBNNFXYSO-JKSUJKDBSA-N	1	0	361.490	1.545	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCCN3CC3CCC3)C[C@@H]2C1	ZINC001088052849	825637007	/nfs/dbraw/zinc/63/70/07/825637007.db2.gz	KXRGLFHUHISNLL-AABGKKOBSA-N	1	0	361.530	1.844	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCCN3CC3CCC3)C[C@@H]2C1	ZINC001088052990	825637703	/nfs/dbraw/zinc/63/77/03/825637703.db2.gz	PPUDRGUMWBTXRB-HSALFYBXSA-N	1	0	359.514	1.291	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cn(C)nc3[C@H]3CCOC3)C[C@@H]2C1	ZINC001088054851	825658654	/nfs/dbraw/zinc/65/86/54/825658654.db2.gz	YTPCJEDQEYGNNV-IKGGRYGDSA-N	1	0	358.486	1.894	20	30		FDEDRO
Cc1cc(N2CCC(NC(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)nc(C)n1	ZINC000330182739	825709642	/nfs/dbraw/zinc/70/96/42/825709642.db2.gz	HMMZOHHBFWAEQD-MRXNPFEDSA-N	1	0	358.490	1.803	20	30		FDEDRO
Cc1cccc(NC(=O)NCC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1	ZINC000330182746	825710024	/nfs/dbraw/zinc/71/00/24/825710024.db2.gz	HMVUCTFTGOSZGU-INIZCTEOSA-N	1	0	360.458	1.502	20	30		FDEDRO
CN1CCO[C@H](CNC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C1	ZINC000330189106	825712689	/nfs/dbraw/zinc/71/26/89/825712689.db2.gz	LOWHZRHNYXSNTN-UYAOXDASSA-N	1	0	360.502	1.875	20	30		FDEDRO
COc1ccc([C@H]2OCC[C@@H]2NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cn1	ZINC000330196831	825725615	/nfs/dbraw/zinc/72/56/15/825725615.db2.gz	QXYGBRWXLFCJRP-WDYCEAGBSA-N	1	0	360.458	1.862	20	30		FDEDRO
O=C(NC1CCN(c2cccnn2)CC1)N1CC[NH+](C2CCOCC2)CC1	ZINC000330242836	825762966	/nfs/dbraw/zinc/76/29/66/825762966.db2.gz	CHBWOCJHQPHEJX-UHFFFAOYSA-N	1	0	374.489	1.156	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCO[C@@H](C)C3)CC[C@@H]2C1	ZINC001088066682	825800998	/nfs/dbraw/zinc/80/09/98/825800998.db2.gz	UZAGLJTWQCHYBS-BBWFWOEESA-N	1	0	363.502	1.226	20	30		FDEDRO
C#CCN(CC#N)CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1	ZINC000281264534	825922713	/nfs/dbraw/zinc/92/27/13/825922713.db2.gz	FMWGBFNTUDKNEQ-HXUWFJFHSA-N	1	0	368.481	1.797	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCN(C)C1=O	ZINC001029508876	825898095	/nfs/dbraw/zinc/89/80/95/825898095.db2.gz	SGCCNJMTQKBWIU-RZFLPCETSA-N	1	0	361.486	1.264	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCN(CC)C1=O	ZINC001029511169	825909916	/nfs/dbraw/zinc/90/99/16/825909916.db2.gz	ABXMDKGFZLVYGM-RZFLPCETSA-N	1	0	361.486	1.264	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C)C2)C[C@H]1C(F)(F)F	ZINC001112174993	826034846	/nfs/dbraw/zinc/03/48/46/826034846.db2.gz	FDFLYAUEOPRTQR-MGPQQGTHSA-N	1	0	361.408	1.800	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C)C(C)C	ZINC000281665270	826151871	/nfs/dbraw/zinc/15/18/71/826151871.db2.gz	YUVGPWSQMVCULN-SFHVURJKSA-N	1	0	370.497	1.849	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCN(CC(F)(F)F)C3)C[C@@H]2C1	ZINC001088082480	826190929	/nfs/dbraw/zinc/19/09/29/826190929.db2.gz	RSGHZSTVBOQCHH-PMPSAXMXSA-N	1	0	357.420	1.674	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnc(C3CC3)nc2)C[C@H]1C(F)(F)F	ZINC001112175235	826231926	/nfs/dbraw/zinc/23/19/26/826231926.db2.gz	RNDQCYUKCNHCEH-ZIAGYGMSSA-N	1	0	352.360	1.970	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1	ZINC000281768725	826233241	/nfs/dbraw/zinc/23/32/41/826233241.db2.gz	LVOTZNZODFIRIJ-CZUORRHYSA-N	1	0	355.398	1.303	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[NH2+]Cc3cnc4c(C#N)cnn4c3)[C@@H]2C1	ZINC000896900986	826274588	/nfs/dbraw/zinc/27/45/88/826274588.db2.gz	OFQCIWTVVFVJHZ-PHZGNYQRSA-N	1	0	368.441	1.803	20	30		FDEDRO
NC(=O)C1(C(=O)N2C[C@@H]3C[N@@H+](CC#Cc4ccc(F)cc4)CC[C@@H]3C2)CC1	ZINC001088088264	826308426	/nfs/dbraw/zinc/30/84/26/826308426.db2.gz	LQXJTYIVSKNFJA-SJORKVTESA-N	1	0	369.440	1.223	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnc(C)nc3)CC[C@@H]2C1	ZINC001088112946	826445450	/nfs/dbraw/zinc/44/54/50/826445450.db2.gz	FNBPDHWTAJCHRK-HCXYKTFWSA-N	1	0	356.470	1.656	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cn(C)nc3C(F)(F)F)C[C@@H]2C1	ZINC001088122381	826510848	/nfs/dbraw/zinc/51/08/48/826510848.db2.gz	ZCKSKSITWIQBNM-OLZOCXBDSA-N	1	0	354.376	1.856	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C3(N4CCOCC4)CCCC3)C[C@@H]2C1	ZINC001088126480	826530801	/nfs/dbraw/zinc/53/08/01/826530801.db2.gz	GUTVBYLZIWAEEC-MOPGFXCFSA-N	1	0	359.514	1.435	20	30		FDEDRO
C[Si](C)(C)C#Cn1c2ncnc-2c(OCc2ccc(C[NH3+])cc2)nc1N	ZINC001168054084	826609957	/nfs/dbraw/zinc/60/99/57/826609957.db2.gz	GFQCHWSFVNBHER-UHFFFAOYSA-N	1	0	366.501	1.963	20	30		FDEDRO
N#Cc1cc(-n2c3ncnc-3c(OCc3ccc(C[NH3+])cc3)nc2N)ccn1	ZINC001168055695	826629269	/nfs/dbraw/zinc/62/92/69/826629269.db2.gz	ZMPVLZRAQOMRNT-UHFFFAOYSA-N	1	0	372.392	1.532	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C)nc4n[nH]c(C)c43)C[C@@H]2C1	ZINC001088140380	826652988	/nfs/dbraw/zinc/65/29/88/826652988.db2.gz	IUHOMFHNGGBOMA-CVEARBPZSA-N	1	0	351.454	1.992	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4nc[nH]n4)C[C@@H]3C2)cc1	ZINC001088144124	826695640	/nfs/dbraw/zinc/69/56/40/826695640.db2.gz	UMOWDAZURCJIFO-CVEARBPZSA-N	1	0	366.425	1.301	20	30		FDEDRO
[NH2+]=C(NCCc1nnc2n1CCCCC2)N[C@@H]1CCOc2ccccc21	ZINC000262436749	826800593	/nfs/dbraw/zinc/80/05/93/826800593.db2.gz	CIQALQMCJANWGE-OAHLLOKOSA-N	1	0	354.458	1.975	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1CC	ZINC000985222419	826969201	/nfs/dbraw/zinc/96/92/01/826969201.db2.gz	PBDSGNJKBUXJDF-VQTJNVASSA-N	1	0	367.493	1.802	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCC[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC001059504845	826985618	/nfs/dbraw/zinc/98/56/18/826985618.db2.gz	AWXYUNXYENCAOP-CKEIUWERSA-N	1	0	357.458	1.195	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccn4c(=O)[nH]nc34)C[C@@H]2C1	ZINC001088169100	826987340	/nfs/dbraw/zinc/98/73/40/826987340.db2.gz	HGNMHOUKOLROGI-CABCVRRESA-N	1	0	355.442	1.795	20	30		FDEDRO
C[C@@H]1CN(C(=[NH2+])NCC(=O)N2CCC(Cc3ccccc3)CC2)CCO1	ZINC000262451097	826991813	/nfs/dbraw/zinc/99/18/13/826991813.db2.gz	JXCNVPZRZYBQAY-MRXNPFEDSA-N	1	0	358.486	1.503	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1	ZINC000928655390	827060900	/nfs/dbraw/zinc/06/09/00/827060900.db2.gz	QOCKJKCXXXMFOM-UHFFFAOYSA-N	1	0	370.421	1.439	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)COc2cccnc2)C[C@H]1C(F)(F)F	ZINC001112178859	827166174	/nfs/dbraw/zinc/16/61/74/827166174.db2.gz	HVKMTCRIICYAGY-HUUCEWRRSA-N	1	0	371.359	1.089	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H]2C[N@H+]([C@H](C)COC)CC[C@@H]2C1	ZINC001088174628	827222458	/nfs/dbraw/zinc/22/24/58/827222458.db2.gz	GQPNVBQXTRGAHP-ZACQAIPSSA-N	1	0	357.454	1.522	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H]2C[N@H+](C[C@@H](C)OC)CC[C@@H]2C1	ZINC001088175018	827223689	/nfs/dbraw/zinc/22/36/89/827223689.db2.gz	ZKNPQZXOPBVKDR-ZACQAIPSSA-N	1	0	357.454	1.522	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CC4CCOCC4)CC[C@@H]3C2)nc1	ZINC001088175445	827225818	/nfs/dbraw/zinc/22/58/18/827225818.db2.gz	WOZGTXOIGFXDAM-MOPGFXCFSA-N	1	0	353.466	1.883	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C(=O)N(C)C)c3)C[C@@H]2C1	ZINC001088173734	827253427	/nfs/dbraw/zinc/25/34/27/827253427.db2.gz	PUFFPFPPKARVHP-MOPGFXCFSA-N	1	0	353.466	1.806	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)CC[C@@H]2C1	ZINC001088183838	827309392	/nfs/dbraw/zinc/30/93/92/827309392.db2.gz	ZBJYNQHZGLQCKS-DBVUQKKJSA-N	1	0	367.493	1.467	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c(cn3)nc[nH]c4=O)C[C@@H]2C1	ZINC001088185460	827321149	/nfs/dbraw/zinc/32/11/49/827321149.db2.gz	AQBWRGDXJNDRGW-KGLIPLIRSA-N	1	0	351.410	1.148	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000985343666	827508984	/nfs/dbraw/zinc/50/89/84/827508984.db2.gz	OLVJYQROVIPMFD-FUHWJXTLSA-N	1	0	371.485	1.728	20	30		FDEDRO
COc1cc(CNC(=O)c2cnn(C)c2C#N)ccc1OCC[NH+](C)C	ZINC000475458476	827714508	/nfs/dbraw/zinc/71/45/08/827714508.db2.gz	NCISKEXKVYWWTN-UHFFFAOYSA-N	1	0	357.414	1.171	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@H+](C)CCN2CCCC2=O)CC1	ZINC000985435804	827819537	/nfs/dbraw/zinc/81/95/37/827819537.db2.gz	PBTBWHCFVILVOA-MSOLQXFVSA-N	1	0	363.502	1.513	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@H]2CCCN(C)C2=O)CC1	ZINC000985436090	827821497	/nfs/dbraw/zinc/82/14/97/827821497.db2.gz	UWFYSSBPBJAXIA-SQNIBIBYSA-N	1	0	363.502	1.511	20	30		FDEDRO
CN1C[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)CC1=O	ZINC001075856018	827942314	/nfs/dbraw/zinc/94/23/14/827942314.db2.gz	ZMCSWUWEGGWLIP-RCCFBDPRSA-N	1	0	352.438	1.069	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CC(=O)NCC(F)(F)F)C[C@H]1C(F)(F)F	ZINC001112186320	827954797	/nfs/dbraw/zinc/95/47/97/827954797.db2.gz	YIBZXRGJOFXYTP-RKDXNWHRSA-N	1	0	361.286	1.220	20	30		FDEDRO
C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1	ZINC000985550002	828163599	/nfs/dbraw/zinc/16/35/99/828163599.db2.gz	LWGQZSMRODLSOL-MOPGFXCFSA-N	1	0	365.518	1.365	20	30		FDEDRO
N#Cc1ccc(NCC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1	ZINC000440515626	828174550	/nfs/dbraw/zinc/17/45/50/828174550.db2.gz	RTXZKQVCXBVBQZ-OAQYLSRUSA-N	1	0	364.449	1.723	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1=O	ZINC000985667468	828898230	/nfs/dbraw/zinc/89/82/30/828898230.db2.gz	MNNHEUJMPWOSBQ-TVFCKZIOSA-N	1	0	361.486	1.264	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C	ZINC000527079885	828952750	/nfs/dbraw/zinc/95/27/50/828952750.db2.gz	VNXGWJMXQYELSG-HNNXBMFYSA-N	1	0	358.442	1.838	20	30		FDEDRO
C#CC[N@@H+](C)C1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1	ZINC000985694179	829016276	/nfs/dbraw/zinc/01/62/76/829016276.db2.gz	ITZZIIVPVBMYKT-PKOBYXMFSA-N	1	0	354.454	1.157	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)c4ccoc4)C[C@@H]3C2)CC1	ZINC000985726066	829221590	/nfs/dbraw/zinc/22/15/90/829221590.db2.gz	MSRASHJXUYUNDS-MJGOQNOKSA-N	1	0	369.465	1.545	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N(CC(C)C)C(C)C	ZINC001168101721	829239325	/nfs/dbraw/zinc/23/93/25/829239325.db2.gz	XMTTVWLNIGLWCR-HKUYNNGSSA-N	1	0	367.534	1.957	20	30		FDEDRO
CCOC(=O)c1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)on1	ZINC000448817488	829250606	/nfs/dbraw/zinc/25/06/06/829250606.db2.gz	XGLDHMQGRZUQFQ-UHFFFAOYSA-N	1	0	370.409	1.927	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(C[C@H](O)COc2ccccc2C#N)CC1	ZINC000528375903	829369023	/nfs/dbraw/zinc/36/90/23/829369023.db2.gz	DPDYJAYPUBMKEX-UXHICEINSA-N	1	0	372.513	1.400	20	30		FDEDRO
C[N@H+](CC1CC1)C[C@@H]1CCN(CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000528392554	829380553	/nfs/dbraw/zinc/38/05/53/829380553.db2.gz	DXLPDKYUHZLXHK-SFHVURJKSA-N	1	0	365.477	1.950	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](N2CCOCC2)CC1	ZINC000528493431	829433252	/nfs/dbraw/zinc/43/32/52/829433252.db2.gz	VFTLMDDNSZBPMG-RBUKOAKNSA-N	1	0	359.470	1.485	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@](C(N)=O)(c2ccccc2)C1	ZINC000528521812	829435633	/nfs/dbraw/zinc/43/56/33/829435633.db2.gz	FVIIRBJNRDCOQL-GHTZIAJQSA-N	1	0	365.433	1.427	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2	ZINC000528523698	829436683	/nfs/dbraw/zinc/43/66/83/829436683.db2.gz	VLEQEMISSCLNBR-RCCFBDPRSA-N	1	0	350.418	1.833	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@H+]2CC3(CCOCC3)CC[C@H]2CO)cc1	ZINC000528641579	829481694	/nfs/dbraw/zinc/48/16/94/829481694.db2.gz	ULTBPWUCDKTUCS-RBUKOAKNSA-N	1	0	374.481	1.746	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(CC)CC	ZINC001168110178	829549838	/nfs/dbraw/zinc/54/98/38/829549838.db2.gz	PZFGDLKZYVECQI-XIRDDKMYSA-N	1	0	353.507	1.757	20	30		FDEDRO
N#Cc1ccc(C2([NH2+]CCn3nc4ccccn4c3=O)CCOCC2)cc1	ZINC000528782794	829561036	/nfs/dbraw/zinc/56/10/36/829561036.db2.gz	LWFQAMLNQIUKOB-UHFFFAOYSA-N	1	0	363.421	1.663	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3CC[NH2+]C34CCC4)C2=O)cc1	ZINC000529328329	829833938	/nfs/dbraw/zinc/83/39/38/829833938.db2.gz	YSJNMMUIIBIWGG-IRXDYDNUSA-N	1	0	367.453	1.637	20	30		FDEDRO
Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000450180954	829846665	/nfs/dbraw/zinc/84/66/65/829846665.db2.gz	NJTYQBRRAJZXHN-QFBILLFUSA-N	1	0	352.438	1.808	20	30		FDEDRO
N#Cc1cccc(N2CCCN(CC(=O)N3CCCC3)CC2)c1[N+](=O)[O-]	ZINC000450248480	829894565	/nfs/dbraw/zinc/89/45/65/829894565.db2.gz	XTCBWFXRVKZBLD-UHFFFAOYSA-N	1	0	357.414	1.601	20	30		FDEDRO
N#Cc1ccnc(N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)n1	ZINC000450288356	829904745	/nfs/dbraw/zinc/90/47/45/829904745.db2.gz	TWCMVFTXDMFSRZ-UHFFFAOYSA-N	1	0	356.474	1.557	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C)cc1	ZINC000729809815	837434225	/nfs/dbraw/zinc/43/42/25/837434225.db2.gz	PPBAUJGDCJJOIR-HZPDHXFCSA-N	1	0	364.467	1.303	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH+]1CCC(n2cc(C(=O)OCC)cn2)CC1	ZINC000451207402	830294745	/nfs/dbraw/zinc/29/47/45/830294745.db2.gz	KDPPKKDGMSKIBB-UHFFFAOYSA-N	1	0	360.458	1.897	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)CN2CCCC2=O)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088462489	830504227	/nfs/dbraw/zinc/50/42/27/830504227.db2.gz	XFAXLJMDOWRNOS-QAPCUYQASA-N	1	0	370.453	1.290	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)C[C@@H]21	ZINC000453041717	830850731	/nfs/dbraw/zinc/85/07/31/830850731.db2.gz	UZGGIPCVTBICTH-AEFFLSMTSA-N	1	0	354.454	1.876	20	30		FDEDRO
C=CCn1c(-c2nnn(C)c2C)nnc1N1CC[C@H](C[NH+](CC)CC)C1	ZINC000453433289	830935655	/nfs/dbraw/zinc/93/56/55/830935655.db2.gz	WKXWCKMXMCWOPG-OAHLLOKOSA-N	1	0	358.494	1.736	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)ccc1C#N	ZINC000453667571	830997812	/nfs/dbraw/zinc/99/78/12/830997812.db2.gz	JRDVDZLAPOXFIK-UHFFFAOYSA-N	1	0	371.466	1.852	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc3n[nH]nc3c2)C[C@H]1C(F)(F)F	ZINC001112204619	831228170	/nfs/dbraw/zinc/22/81/70/831228170.db2.gz	AYAQNYPNUYPOCY-BXUZGUMPSA-N	1	0	351.332	1.574	20	30		FDEDRO
C[NH+]=C(NCCc1c(C)noc1C)N[C@H]1CCCN(c2cnn(C)c2)C1	ZINC000262769470	831354861	/nfs/dbraw/zinc/35/48/61/831354861.db2.gz	IILYPYUXVKYBNM-HNNXBMFYSA-N	1	0	359.478	1.401	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)C4CC(C)C4)C[C@H]3C2)CC1	ZINC000986247279	831361120	/nfs/dbraw/zinc/36/11/20/831361120.db2.gz	ZPJHGOMMBHGZMB-MLFFRYNPSA-N	1	0	371.525	1.685	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H](CCNC(=O)CC[NH+](C)C)C1	ZINC001059718188	831677060	/nfs/dbraw/zinc/67/70/60/831677060.db2.gz	OPHZPDDCAPJCGN-LNLFQRSKSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](CCNC(=O)CC[NH+](C)C)C1	ZINC001059725708	831851765	/nfs/dbraw/zinc/85/17/65/831851765.db2.gz	XBEVXICWQMKHAM-BQFCYCMXSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)C[N@@H+](C)C(C)C)C1	ZINC001059729703	831962082	/nfs/dbraw/zinc/96/20/82/831962082.db2.gz	ZVDKTMRDESUZLA-KSZLIROESA-N	1	0	365.518	1.663	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000986883012	832298265	/nfs/dbraw/zinc/29/82/65/832298265.db2.gz	IRZAUGCBCXJCRH-NXHRZFHOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001105438573	832341258	/nfs/dbraw/zinc/34/12/58/832341258.db2.gz	JWNUIIYAKOBBCV-WIRSXHRWSA-N	1	0	355.482	1.880	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C[C@H](O)Cc1ccccc1	ZINC001088529052	832453058	/nfs/dbraw/zinc/45/30/58/832453058.db2.gz	BGMOMDQJZTWUEX-OLMNPRSZSA-N	1	0	352.438	1.683	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)COC[C@H]2CCCO2)C[C@H]1C(F)(F)F	ZINC001112220156	832495544	/nfs/dbraw/zinc/49/55/44/832495544.db2.gz	OMYLQPFPRZRVJO-MGPQQGTHSA-N	1	0	350.381	1.737	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3ncoc3C)[C@H]2C)CC1	ZINC000987422895	832967780	/nfs/dbraw/zinc/96/77/80/832967780.db2.gz	ZFHVCKSJVOITRW-CJNGLKHVSA-N	1	0	358.442	1.047	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1	ZINC000988014169	833919345	/nfs/dbraw/zinc/91/93/45/833919345.db2.gz	QXDWIPGMMNJFMD-KURKYZTESA-N	1	0	363.502	1.370	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[C@H]3C3CCC3)[C@H]2C)CC1	ZINC000988269475	834298654	/nfs/dbraw/zinc/29/86/54/834298654.db2.gz	OJZBOZZVOSIUFO-NMLACTOBSA-N	1	0	371.525	1.873	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1	ZINC001059865127	834299281	/nfs/dbraw/zinc/29/92/81/834299281.db2.gz	JPUNWYOCVXJRED-NXHRZFHOSA-N	1	0	363.502	1.274	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C	ZINC000988323237	834376229	/nfs/dbraw/zinc/37/62/29/834376229.db2.gz	OZINFFQMWOPOKW-SMOSDQRPSA-N	1	0	367.493	1.656	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCOC3(CC(C(=O)OC)C3)C2)CC1	ZINC000888185527	834395489	/nfs/dbraw/zinc/39/54/89/834395489.db2.gz	NURRXRMKRODCCQ-NLGTXKQRSA-N	1	0	365.474	1.437	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H]2CCOC3(CC(C(=O)OC)C3)C2)CC1	ZINC000888185528	834396332	/nfs/dbraw/zinc/39/63/32/834396332.db2.gz	NURRXRMKRODCCQ-RCDNUKIMSA-N	1	0	365.474	1.437	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)Cc3ccc[nH]3)[C@H]2C)CC1	ZINC000988363662	834639100	/nfs/dbraw/zinc/63/91/00/834639100.db2.gz	WYUHYZIOBSDRGU-QAPCUYQASA-N	1	0	356.470	1.008	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)n(CCC#N)n1	ZINC000532616510	834757539	/nfs/dbraw/zinc/75/75/39/834757539.db2.gz	PXFHHXZSXCDETH-UHFFFAOYSA-N	1	0	368.441	1.422	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2)[C@@H]1C	ZINC001088575678	835000453	/nfs/dbraw/zinc/00/04/53/835000453.db2.gz	AMRAHFHMQWCPPH-OAOYMFHYSA-N	1	0	371.481	1.846	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3cc(C)co3)[C@@H]2C)CC1	ZINC000988506717	835659095	/nfs/dbraw/zinc/65/90/95/835659095.db2.gz	NRVQQHUOBWFPOF-WBVHZDCISA-N	1	0	357.454	1.652	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCOCCCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105668828	844097117	/nfs/dbraw/zinc/09/71/17/844097117.db2.gz	ZXFIPOCCOGWOAJ-LFGUQSLTSA-N	1	0	368.518	1.582	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1OC	ZINC001211994645	836022439	/nfs/dbraw/zinc/02/24/39/836022439.db2.gz	GTYBRTTZXGYITH-QXAKKESOSA-N	1	0	368.518	1.990	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCCOCCc2ccccc2)C[C@H]1NC(=O)[C@@H](C)C#N	ZINC001212045523	836374974	/nfs/dbraw/zinc/37/49/74/836374974.db2.gz	PYMAIIZAINPZDT-QXAKKESOSA-N	1	0	359.470	1.611	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cncn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105669217	844158466	/nfs/dbraw/zinc/15/84/66/844158466.db2.gz	PYJMMVSMXBEILQ-PSBWJHGTSA-N	1	0	361.490	1.210	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)N1CCC[C@@H](c2nnc3n2CCCCC3)C1	ZINC000249724734	836512200	/nfs/dbraw/zinc/51/22/00/836512200.db2.gz	OYLCLPUWIGTIFY-HZPDHXFCSA-N	1	0	358.490	1.944	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1	ZINC000938028812	836994309	/nfs/dbraw/zinc/99/43/09/836994309.db2.gz	WMAPXRMSIMLSGD-LNLFQRSKSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](CCc2scnc2C)C[C@H]1OC	ZINC001212092566	837105066	/nfs/dbraw/zinc/10/50/66/837105066.db2.gz	HCAWPAYXKXTASJ-HZPDHXFCSA-N	1	0	367.515	1.792	20	30		FDEDRO
CO[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)/C=C/C1CC1	ZINC001212084978	837122465	/nfs/dbraw/zinc/12/24/65/837122465.db2.gz	KJPWOIYIINUQIT-DCQHUWKXSA-N	1	0	355.438	1.871	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@@H]1O	ZINC001083456027	837334591	/nfs/dbraw/zinc/33/45/91/837334591.db2.gz	DGUPROBPCUZKMF-IKGGRYGDSA-N	1	0	362.499	1.154	20	30		FDEDRO
C[NH+]=C(NCc1cccnc1N1CCN(C)CC1)N1CC[C@]2(CCOC2)C1	ZINC000261979653	837382044	/nfs/dbraw/zinc/38/20/44/837382044.db2.gz	ONVJLUATLSUKOL-FQEVSTJZSA-N	1	0	372.517	1.021	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCC(=O)N2C)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088790672	844290770	/nfs/dbraw/zinc/29/07/70/844290770.db2.gz	UDHIZOJANYICAA-JLSDUUJJSA-N	1	0	354.454	1.648	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C)nc1	ZINC000989164361	838536367	/nfs/dbraw/zinc/53/63/67/838536367.db2.gz	WDAJGHUXLDJNNL-JLSDUUJJSA-N	1	0	366.465	1.124	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)[C@@H]1C	ZINC000989195455	838677067	/nfs/dbraw/zinc/67/70/67/838677067.db2.gz	MCVLIRPWSYZHKT-HLIPFELVSA-N	1	0	367.493	1.800	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@](C)(C(N)=O)C(C)C)cc1	ZINC000459453414	838685162	/nfs/dbraw/zinc/68/51/62/838685162.db2.gz	AOUORAKUHHJCIJ-LJQANCHMSA-N	1	0	360.458	1.822	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC2(CC1)OCCc1ccccc12	ZINC000459537678	838803427	/nfs/dbraw/zinc/80/34/27/838803427.db2.gz	ZNGMWEVUDAHRAW-HNNXBMFYSA-N	1	0	357.454	1.951	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CCCO)C3)[C@H]2C(C)C)nc1	ZINC001105670354	844382985	/nfs/dbraw/zinc/38/29/85/844382985.db2.gz	ZNPFFFVZJMHIKE-ANTGDGSKSA-N	1	0	371.481	1.025	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCNC(=O)C2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088657331	839423452	/nfs/dbraw/zinc/42/34/52/839423452.db2.gz	AGNFHZWNDAONKM-LIVBEALHSA-N	1	0	354.454	1.554	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cccc(OCC#N)c2)c1C#N	ZINC000760307810	839779954	/nfs/dbraw/zinc/77/99/54/839779954.db2.gz	KFWOJNWDSZBILA-UHFFFAOYSA-N	1	0	352.398	1.517	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)c3cn4c(n3)C[C@H](OC)CC4)[C@@H]2C1	ZINC001075938936	839838206	/nfs/dbraw/zinc/83/82/06/839838206.db2.gz	PXBLIYYIAOBEIT-LZLYRXPVSA-N	1	0	358.486	1.957	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)c2cnn(C3CCC3)c2)[C@H](C)C1	ZINC001101970449	840046347	/nfs/dbraw/zinc/04/63/47/840046347.db2.gz	WRVVIUPMKBNKBP-BZUAXINKSA-N	1	0	371.485	1.044	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105588276	840081170	/nfs/dbraw/zinc/08/11/70/840081170.db2.gz	UKZIKUCZTCOYBE-ANTGDGSKSA-N	1	0	371.481	1.311	20	30		FDEDRO
Cn1ncc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)c1C#N	ZINC000476337903	840300222	/nfs/dbraw/zinc/30/02/22/840300222.db2.gz	PGBOJLIXZWNUNG-UHFFFAOYSA-N	1	0	353.430	1.469	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1	ZINC000667541957	844539929	/nfs/dbraw/zinc/53/99/29/844539929.db2.gz	GJGNLOKHGNOKDR-XJKSGUPXSA-N	1	0	371.441	1.143	20	30		FDEDRO
N#CCCCOc1cccc(C[NH2+]CCS(=O)(=O)N2CCCC2)c1	ZINC000897832260	840474962	/nfs/dbraw/zinc/47/49/62/840474962.db2.gz	MTJSTKCGZPHUQO-UHFFFAOYSA-N	1	0	351.472	1.884	20	30		FDEDRO
C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NCC1(C#N)CCCCC1	ZINC000898126008	840797939	/nfs/dbraw/zinc/79/79/39/840797939.db2.gz	QVPYHOTVGPRDLH-INIZCTEOSA-N	1	0	369.469	1.709	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)nn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105600075	840983415	/nfs/dbraw/zinc/98/34/15/840983415.db2.gz	AIISIRAMFLMBMQ-LBKNJMOBSA-N	1	0	358.486	1.332	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)nn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105600529	840996371	/nfs/dbraw/zinc/99/63/71/840996371.db2.gz	IXCMYMMZHXGYDS-UIXUWTQFSA-N	1	0	358.486	1.332	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN(C)C(C)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105601353	841030823	/nfs/dbraw/zinc/03/08/23/841030823.db2.gz	WVLRIPWAOTVKGG-LFGUQSLTSA-N	1	0	365.518	1.397	20	30		FDEDRO
C=CCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnnn3C)C2)[C@H]1C(C)C	ZINC001105606442	841213648	/nfs/dbraw/zinc/21/36/48/841213648.db2.gz	DJOHGUDXAQXOOZ-RWQQGDIJSA-N	1	0	361.490	1.247	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCC(=O)NCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105607494	841229559	/nfs/dbraw/zinc/22/95/59/841229559.db2.gz	SCVVNZLYVDHLMJ-YKCBXCCJSA-N	1	0	365.518	1.445	20	30		FDEDRO
CC(C)[NH+]1CC(Nc2ccccc2COC(=O)ON2C(=O)CCC2=O)C1	ZINC001168314076	841402690	/nfs/dbraw/zinc/40/26/90/841402690.db2.gz	JWYLHLHODPNVAP-UHFFFAOYSA-N	1	0	361.398	1.908	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCOC)C2)[C@H]1C(C)C	ZINC001105610135	841560306	/nfs/dbraw/zinc/56/03/06/841560306.db2.gz	IFRRTCCBUKUNOX-PSBWJHGTSA-N	1	0	354.491	1.192	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnccc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105612178	841961667	/nfs/dbraw/zinc/96/16/67/841961667.db2.gz	YDGQLBPQIZKFNE-BNDYYXHWSA-N	1	0	355.482	1.993	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105612224	841977846	/nfs/dbraw/zinc/97/78/46/841977846.db2.gz	YONOEAWDEIXTIA-LFGUQSLTSA-N	1	0	368.518	1.582	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cccc3ncnn32)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088711917	842211548	/nfs/dbraw/zinc/21/15/48/842211548.db2.gz	IBSFASITCNVLCF-PBHICJAKSA-N	1	0	360.421	1.994	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CNC(=O)CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105614435	842227822	/nfs/dbraw/zinc/22/78/22/842227822.db2.gz	HGSNFLSLJKPEET-OHDICMOHSA-N	1	0	351.491	1.055	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC#CC)C2)[C@H]1C(C)C	ZINC001105615219	842230200	/nfs/dbraw/zinc/23/02/00/842230200.db2.gz	QHVNJGXIINVXCJ-UKAVVXHISA-N	1	0	362.514	1.959	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncc(F)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105618719	842233561	/nfs/dbraw/zinc/23/35/61/842233561.db2.gz	AGPZHXBAFNOEBH-SOAMZJECSA-N	1	0	359.445	1.824	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3OCCCO3)[C@H]2C(C)C)C[C@H]1O	ZINC001105619611	842238650	/nfs/dbraw/zinc/23/86/50/842238650.db2.gz	OJZWKCWTHRJQQC-YAJHFMINSA-N	1	0	366.502	1.682	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@H]1C(C)C	ZINC001105619957	842241375	/nfs/dbraw/zinc/24/13/75/842241375.db2.gz	UKHLNCAGKPSUME-HNBVOPMISA-N	1	0	350.503	1.529	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(=O)NC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105622900	842248850	/nfs/dbraw/zinc/24/88/50/842248850.db2.gz	JVTWNTZXQUNQDL-RGCFKVTRSA-N	1	0	351.491	1.055	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3ncc[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105622911	842250015	/nfs/dbraw/zinc/25/00/15/842250015.db2.gz	JXZHGDQSELOEKL-XNFNUYLZSA-N	1	0	358.486	1.332	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccnn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105623571	842252596	/nfs/dbraw/zinc/25/25/96/842252596.db2.gz	RPMPJIXBMLUYIE-IZBJGVDFSA-N	1	0	360.502	1.505	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)C(N)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105636943	842269433	/nfs/dbraw/zinc/26/94/33/842269433.db2.gz	HBOCJZAYBZWDAT-DICRZQGBSA-N	1	0	365.518	1.430	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3onc(C)c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637352	842271161	/nfs/dbraw/zinc/27/11/61/842271161.db2.gz	OCIOHLYLJYSMCM-QQTQMKHKSA-N	1	0	359.470	1.894	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCOCC3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105632481	842279903	/nfs/dbraw/zinc/27/99/03/842279903.db2.gz	LQWVHRQPSXWCAI-HNBVOPMISA-N	1	0	350.503	1.955	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@H]1C(C)C	ZINC001105633411	842282374	/nfs/dbraw/zinc/28/23/74/842282374.db2.gz	UFWZIOASDPMCBV-BCXHYRKLSA-N	1	0	351.491	1.040	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCC3CC3)C2)[C@@H]1C(C)C	ZINC001105633589	842282716	/nfs/dbraw/zinc/28/27/16/842282716.db2.gz	VQTHVMYORMNFNB-QCFAMHMHSA-N	1	0	362.514	1.793	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cncc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105641450	842292185	/nfs/dbraw/zinc/29/21/85/842292185.db2.gz	BGYMECHGSMXHCC-HNBVOPMISA-N	1	0	360.502	1.734	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(COC)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105641695	842297247	/nfs/dbraw/zinc/29/72/47/842297247.db2.gz	DJNZGJXTKJBEPD-VIPLHTEESA-N	1	0	350.503	1.955	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105641932	842306521	/nfs/dbraw/zinc/30/65/21/842306521.db2.gz	FZZTVWBFDSVMBQ-SOAMZJECSA-N	1	0	356.470	1.388	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCn3ccnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105646843	842399668	/nfs/dbraw/zinc/39/96/68/842399668.db2.gz	MHOUVHZMUDHUQK-LFGUQSLTSA-N	1	0	360.502	1.815	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CCCO)C3)[C@H]2C(C)C)cc1	ZINC001105645995	842402184	/nfs/dbraw/zinc/40/21/84/842402184.db2.gz	GHZNQUJGHUVWJR-VMBXEPDQSA-N	1	0	370.493	1.630	20	30		FDEDRO
COc1cc(CNC(=O)NCCN2CCC([NH+](C)C)CC2)ccc1C#N	ZINC000460539097	842440374	/nfs/dbraw/zinc/44/03/74/842440374.db2.gz	MJSHXQRKULQKOJ-UHFFFAOYSA-N	1	0	359.474	1.392	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCF)[C@@H]2C(C)C)C[C@H]1O	ZINC001105651875	842444195	/nfs/dbraw/zinc/44/41/95/842444195.db2.gz	JKJKUCZEZKMIMW-PSBWJHGTSA-N	1	0	354.466	1.352	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCF)[C@H]2C(C)C)C[C@H]1O	ZINC001105652358	842453753	/nfs/dbraw/zinc/45/37/53/842453753.db2.gz	LJRWBFGOLSWTNG-LTDCPUDJSA-N	1	0	369.481	1.004	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ocnc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105656607	842487549	/nfs/dbraw/zinc/48/75/49/842487549.db2.gz	ROZJHJSWNXEAJI-ZTRFORPCSA-N	1	0	359.470	1.840	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH]c(=O)cc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105656560	842487584	/nfs/dbraw/zinc/48/75/84/842487584.db2.gz	QYVTVGHTDXVAQX-VGUOSERISA-N	1	0	371.481	1.699	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C)[nH]c3=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105657380	842494486	/nfs/dbraw/zinc/49/44/86/842494486.db2.gz	YQMQEOPDQAOSKE-WIRSXHRWSA-N	1	0	371.481	1.699	20	30		FDEDRO
C=CCN(CC1CCCCC1)C(=O)C(=O)NC1CC[NH+](CCOC)CC1	ZINC000477628454	842680557	/nfs/dbraw/zinc/68/05/57/842680557.db2.gz	UHNNNNDZAVBLSR-UHFFFAOYSA-N	1	0	365.518	1.808	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)n[nH]c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105663474	842813578	/nfs/dbraw/zinc/81/35/78/842813578.db2.gz	UAINPLYYNLGNDO-HBXLWWENSA-N	1	0	358.486	1.630	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)COCCCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105665989	843053323	/nfs/dbraw/zinc/05/33/23/843053323.db2.gz	BYDWOXQYPSQXGP-HNBVOPMISA-N	1	0	368.518	1.582	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+]C1CCN(C(C)=O)CC1	ZINC000461621562	843100193	/nfs/dbraw/zinc/10/01/93/843100193.db2.gz	VQKPBVRTCPGGIW-HNNXBMFYSA-N	1	0	372.469	1.931	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(CCOC)CCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105667337	843611509	/nfs/dbraw/zinc/61/15/09/843611509.db2.gz	ARHXCKIQCRRURX-WIRSXHRWSA-N	1	0	362.514	1.793	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2csnn2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088776691	843740379	/nfs/dbraw/zinc/74/03/79/843740379.db2.gz	KAVKJANWJZJZAZ-DOMZBBRYSA-N	1	0	357.439	1.833	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCCC(N)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105668062	843750881	/nfs/dbraw/zinc/75/08/81/843750881.db2.gz	WAWVJSMBWXDRCC-XNFNUYLZSA-N	1	0	363.502	1.022	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccn(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105668089	843754449	/nfs/dbraw/zinc/75/44/49/843754449.db2.gz	HJEAQIVWMVQCJB-XSYGEPLQSA-N	1	0	360.502	1.966	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(Cl)no3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105668315	843788669	/nfs/dbraw/zinc/78/86/69/843788669.db2.gz	JDHDTRHUMIDCBM-ZHCAMHROSA-N	1	0	365.861	1.931	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000667641811	844933706	/nfs/dbraw/zinc/93/37/06/844933706.db2.gz	DULZXHGCVKIVDF-SFHVURJKSA-N	1	0	350.507	1.132	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccc(C)nc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105672963	845257705	/nfs/dbraw/zinc/25/77/05/845257705.db2.gz	DMTZGVXZXHZGHA-WKDRNLAYSA-N	1	0	369.509	1.922	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCC(N)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105673522	845394781	/nfs/dbraw/zinc/39/47/81/845394781.db2.gz	MNMXEWXXQJGJAI-XNFNUYLZSA-N	1	0	365.518	1.574	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCn3ccnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105673697	845414604	/nfs/dbraw/zinc/41/46/04/845414604.db2.gz	OEMIMBJVJBFWOO-IZBJGVDFSA-N	1	0	360.502	1.815	20	30		FDEDRO
O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)Nc1cccc(C#Cc2cccs2)c1	ZINC000667698238	845422878	/nfs/dbraw/zinc/42/28/78/845422878.db2.gz	MRKKTSLLRKOGQK-INIZCTEOSA-N	1	0	369.446	1.191	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1	ZINC000899120833	845818260	/nfs/dbraw/zinc/81/82/60/845818260.db2.gz	UANIXNPTQPTBJE-QGZVFWFLSA-N	1	0	354.454	1.600	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)CC#Cc2ccccc2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2	ZINC001105676537	845955302	/nfs/dbraw/zinc/95/53/02/845955302.db2.gz	WXWBZTJJNPLFSH-UGESXGAOSA-N	1	0	370.493	1.387	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH+]1CC2(C1)CCN(C(=O)OC(C)(C)C)C2	ZINC000899912967	846869671	/nfs/dbraw/zinc/86/96/71/846869671.db2.gz	VCUPQYAWXMKMFG-OAHLLOKOSA-N	1	0	352.479	1.136	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2C)C[C@@H]1O	ZINC001083535836	846923273	/nfs/dbraw/zinc/92/32/73/846923273.db2.gz	PFZNNEVMDSLGMX-AABGKKOBSA-N	1	0	355.482	1.062	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4cncc(C)c4)[C@@H]3C2)C1=O	ZINC001076090823	847257648	/nfs/dbraw/zinc/25/76/48/847257648.db2.gz	LDSSIZWIMDHLRZ-IPMKNSEASA-N	1	0	368.481	1.252	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](CNc3ccnc(C#N)n3)C2)CC[N@@H+]1C	ZINC001060098467	847264026	/nfs/dbraw/zinc/26/40/26/847264026.db2.gz	ALUJNPQJNNEWFL-HRCADAONSA-N	1	0	356.474	1.151	20	30		FDEDRO
N#Cc1ccc(F)c(CN2C[C@@H]3CCN(C(=O)c4n[nH]cc4F)[C@@H]3C2)c1	ZINC001076215308	847581147	/nfs/dbraw/zinc/58/11/47/847581147.db2.gz	ZTCBOGYWSRMIHT-BLLLJJGKSA-N	1	0	357.364	1.906	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C)[nH]c4C)[C@@H]3C2)C1=O	ZINC001076297534	847803095	/nfs/dbraw/zinc/80/30/95/847803095.db2.gz	ZCOFHZCPDALBLE-CGTJXYLNSA-N	1	0	356.470	1.565	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(F)cc4)C[C@H]32)nn1	ZINC001076335023	847880451	/nfs/dbraw/zinc/88/04/51/847880451.db2.gz	UVDSFGPMIODZRB-MAUKXSAKSA-N	1	0	355.417	1.950	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4csc(C)c4)[C@@H]3C2)C1=O	ZINC001076363130	847960318	/nfs/dbraw/zinc/96/03/18/847960318.db2.gz	HKTIJHZMMUADTK-BHYGNILZSA-N	1	0	359.495	1.990	20	30		FDEDRO
N#Cc1ccc(F)cc1CN1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1	ZINC001076467770	848194889	/nfs/dbraw/zinc/19/48/89/848194889.db2.gz	RHWROMRTQRGTDQ-QFBILLFUSA-N	1	0	368.456	1.826	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](C[C@@H]4CCNC(=O)CC4)C[C@H]32)nc1	ZINC001076475859	848239559	/nfs/dbraw/zinc/23/95/59/848239559.db2.gz	JLNYQDYOLSEGKA-JENIJYKNSA-N	1	0	366.465	1.126	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4[C@H]5[C@@H]4[C@@H]4CC[C@H]5C4)[C@@H]3C2)C1=O	ZINC001076623268	848603688	/nfs/dbraw/zinc/60/36/88/848603688.db2.gz	NNQAYDZFJYNZPZ-NCSOOZNJSA-N	1	0	369.509	1.598	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cn4ccnc4)[C@@H]3C2)cc1C#N	ZINC001076632627	848617790	/nfs/dbraw/zinc/61/77/90/848617790.db2.gz	XPWDQFVCEQPPEG-FUHWJXTLSA-N	1	0	365.437	1.496	20	30		FDEDRO
CC(C)CC(N)=NOCC(=O)NCc1ccccc1CN1CCCC1=O	ZINC000151307801	861933831	/nfs/dbraw/zinc/93/38/31/861933831.db2.gz	WURSOKHDYUPEQE-UHFFFAOYSA-N	1	0	360.458	1.760	20	30		FDEDRO
COc1ccc(C#N)cc1CN1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C	ZINC001088835770	848964533	/nfs/dbraw/zinc/96/45/33/848964533.db2.gz	NOYUCUIIYVZYOF-BEFAXECRSA-N	1	0	370.497	1.988	20	30		FDEDRO
O=C(N[C@@H]1CN(CC#Cc2cccc(Cl)c2)C[C@H]1O)[C@H]1CCCOC1	ZINC001076802922	849084607	/nfs/dbraw/zinc/08/46/07/849084607.db2.gz	YNPGMISJAOBHDE-CGTJXYLNSA-N	1	0	362.857	1.279	20	30		FDEDRO
COc1ccccc1CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1	ZINC001076907299	849302424	/nfs/dbraw/zinc/30/24/24/849302424.db2.gz	JIFYJNYZTCDYDS-QZTJIDSGSA-N	1	0	368.437	1.303	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)CC[NH+]1CCCCC1	ZINC001076919132	849317465	/nfs/dbraw/zinc/31/74/65/849317465.db2.gz	XQVGDPAUGMCRHJ-LNLFQRSKSA-N	1	0	365.518	1.855	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1O	ZINC001076986332	849479071	/nfs/dbraw/zinc/47/90/71/849479071.db2.gz	ULKOEDMWIABVQC-GUDVDZBRSA-N	1	0	356.470	1.092	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCC(F)(F)CC2)C[C@H]1O	ZINC001077016526	849547838	/nfs/dbraw/zinc/54/78/38/849547838.db2.gz	RASZOOIHXYJJCK-VQHPVUNQSA-N	1	0	372.456	1.954	20	30		FDEDRO
C=C(Br)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2COCCO2)C1	ZINC001102696890	849703425	/nfs/dbraw/zinc/70/34/25/849703425.db2.gz	OEJYMIIEILSWQF-BNOWGMLFSA-N	1	0	361.280	1.385	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@H]2O)cc1	ZINC001077245621	850231836	/nfs/dbraw/zinc/23/18/36/850231836.db2.gz	BZSOIBQZGHBBAS-GUDVDZBRSA-N	1	0	360.454	1.595	20	30		FDEDRO
N#Cc1ccc([C@@H]2CN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CCO2)cc1	ZINC000904520325	851272562	/nfs/dbraw/zinc/27/25/62/851272562.db2.gz	QMEWMLPCWZYFAU-KBPBESRZSA-N	1	0	356.348	1.921	20	30		FDEDRO
COC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F	ZINC000904537745	851282078	/nfs/dbraw/zinc/28/20/78/851282078.db2.gz	JFOOBGIQRPIMPN-KBPBESRZSA-N	1	0	356.348	1.791	20	30		FDEDRO
N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccnn1Cc1ccc(Cl)s1	ZINC000904547115	851286557	/nfs/dbraw/zinc/28/65/57/851286557.db2.gz	ARXIGHXTNXBDQH-GXSJLCMTSA-N	1	0	350.835	1.879	20	30		FDEDRO
C#CCN1C(=O)C[C@H]([N@@H+]2C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C2)C1=O	ZINC000905024291	851619205	/nfs/dbraw/zinc/61/92/05/851619205.db2.gz	OPYYUJRLCLPTRB-KFWWJZLASA-N	1	0	363.458	1.230	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)CC1(O)CCC(C(=O)OCC)CC1	ZINC000905245934	851770379	/nfs/dbraw/zinc/77/03/79/851770379.db2.gz	ZCUXAFDBDLQVTD-VIYSVWJJSA-N	1	0	369.502	1.793	20	30		FDEDRO
Cc1cccc(-c2nnc3n2C[C@H](C(=O)NCC#CC[NH+](C)C)CC3)c1	ZINC000913522970	862287711	/nfs/dbraw/zinc/28/77/11/862287711.db2.gz	HHUFDCCBRFVRQS-QGZVFWFLSA-N	1	0	351.454	1.497	20	30		FDEDRO
CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC#CC[NH+](C)C)cc1	ZINC000913513157	862291371	/nfs/dbraw/zinc/29/13/71/862291371.db2.gz	AKOWQGPSSQCSBV-UHFFFAOYSA-N	1	0	351.472	1.012	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1	ZINC000913515339	862295908	/nfs/dbraw/zinc/29/59/08/862295908.db2.gz	SNSQSUHXIWHAGU-UHFFFAOYSA-N	1	0	352.438	1.418	20	30		FDEDRO
C[C@](O)(C[NH2+]C[C@H](n1cncn1)C(F)(F)F)C(F)(F)C(F)(F)F	ZINC000905399296	851905579	/nfs/dbraw/zinc/90/55/79/851905579.db2.gz	KAUNJQSNHAWUJQ-BQBZGAKWSA-N	1	0	356.217	1.920	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1	ZINC000913517923	862300453	/nfs/dbraw/zinc/30/04/53/862300453.db2.gz	VVFKNCUXPPCHDT-SFHVURJKSA-N	1	0	371.481	1.375	20	30		FDEDRO
COC(=O)c1cc(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)n(C)c1C	ZINC000905437795	851941371	/nfs/dbraw/zinc/94/13/71/851941371.db2.gz	IECXBPWSRRJHCW-INIZCTEOSA-N	1	0	357.410	1.521	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@H](O)Cc2ccccc2F)cc1	ZINC000905471878	851970304	/nfs/dbraw/zinc/97/03/04/851970304.db2.gz	IFCALECPODQIIX-MSOLQXFVSA-N	1	0	358.413	1.825	20	30		FDEDRO
Cc1cc2c(ncnc2N2CCC[C@@H]2C(=O)NCC#CC[NH+](C)C)s1	ZINC000913519801	862305154	/nfs/dbraw/zinc/30/51/54/862305154.db2.gz	PBGZHVBQRRAMOF-OAHLLOKOSA-N	1	0	357.483	1.650	20	30		FDEDRO
Cc1cc(C(F)(F)F)nn1CC[NH2+]C[C@H](O)CC1(C#N)CCOCC1	ZINC000905520726	852012734	/nfs/dbraw/zinc/01/27/34/852012734.db2.gz	PBQXLYTYQLQPFY-CYBMUJFWSA-N	1	0	360.380	1.871	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1	ZINC000668466358	852013298	/nfs/dbraw/zinc/01/32/98/852013298.db2.gz	RRBRWVCSJDLSMZ-UHFFFAOYSA-N	1	0	373.497	1.785	20	30		FDEDRO
CS(=O)(=O)c1ccccc1CC[NH2+]C[C@@H](O)COc1ccccc1C#N	ZINC000905558283	852034798	/nfs/dbraw/zinc/03/47/98/852034798.db2.gz	ZAFMYXIBDSNNPH-QGZVFWFLSA-N	1	0	374.462	1.534	20	30		FDEDRO
CC1(C)O[C@@H]2C[C@@H]([NH2+]CCS(=O)(=O)c3ccc(C#N)cc3)C[C@@H]2O1	ZINC000905605363	852063105	/nfs/dbraw/zinc/06/31/05/852063105.db2.gz	CHMNRAFDUSVFGF-MKZZRHPPSA-N	1	0	350.440	1.604	20	30		FDEDRO
COC[C@]1(C[NH+](C)C)COCCN1C(=O)Cc1c(C)cc(C#N)cc1C	ZINC000906124327	852624611	/nfs/dbraw/zinc/62/46/11/852624611.db2.gz	STUTYQYCMAJVTG-HXUWFJFHSA-N	1	0	359.470	1.523	20	30		FDEDRO
CN1CC[N@H+](C)CC(C(=O)N[C@@H](C#N)c2cccc(Br)c2)C1	ZINC000906478287	852947095	/nfs/dbraw/zinc/94/70/95/852947095.db2.gz	BCQJNCYPZRZVPJ-HNNXBMFYSA-N	1	0	365.275	1.623	20	30		FDEDRO
C#Cc1ccc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1	ZINC000907052531	853755906	/nfs/dbraw/zinc/75/59/06/853755906.db2.gz	HLOOCJQSINDFKO-MOPGFXCFSA-N	1	0	362.495	1.714	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3CCC(C(F)F)CC3)CC2)o1	ZINC000486140169	853785319	/nfs/dbraw/zinc/78/53/19/853785319.db2.gz	XGCFFYJNAQMHSD-UHFFFAOYSA-N	1	0	367.400	1.480	20	30		FDEDRO
C=CCn1c([C@@H]2CCOC2)nnc1N1CC[N@H+](CCOC)[C@H](CCC)C1	ZINC000508911103	862507192	/nfs/dbraw/zinc/50/71/92/862507192.db2.gz	GWXUKTNSMGWSKZ-IAGOWNOFSA-N	1	0	363.506	1.905	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@@H](O)C2)cc1	ZINC001083607287	853962866	/nfs/dbraw/zinc/96/28/66/853962866.db2.gz	PHBKFYLFXMLUIJ-MOPGFXCFSA-N	1	0	361.405	1.181	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCS(=O)(=O)CC)C1	ZINC001112282879	862517900	/nfs/dbraw/zinc/51/79/00/862517900.db2.gz	SFHOQYAGEOYHRI-WMZOPIPTSA-N	1	0	356.532	1.996	20	30		FDEDRO
CC(C)[NH+]1CCN(CCC(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1	ZINC000907396166	854144153	/nfs/dbraw/zinc/14/41/53/854144153.db2.gz	PRTLEGJYSZEWEQ-UHFFFAOYSA-N	1	0	367.457	1.494	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCC(n2cnc(C(=O)OCC)c2N)CC1	ZINC000907757322	854601334	/nfs/dbraw/zinc/60/13/34/854601334.db2.gz	DHZBFLCMSWWZPJ-UHFFFAOYSA-N	1	0	363.462	1.313	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)C(F)(F)c2ccccc2C#N)CC1(C)C	ZINC000908001712	854885774	/nfs/dbraw/zinc/88/57/74/854885774.db2.gz	NZYGYXUPDAZHGE-UHFFFAOYSA-N	1	0	350.413	1.792	20	30		FDEDRO
CSc1nc(C2CC2)cc(C(=O)N[C@H](CO)C[NH+]2CCCC2)c1C#N	ZINC000908203457	855189417	/nfs/dbraw/zinc/18/94/17/855189417.db2.gz	DIMREBLTBPCTDM-ZDUSSCGKSA-N	1	0	360.483	1.739	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1	ZINC000669251179	862671668	/nfs/dbraw/zinc/67/16/68/862671668.db2.gz	BQLIODSRQJUNRT-RCCFBDPRSA-N	1	0	365.518	1.855	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Cn1c(=O)sc(C)c1-c1ccccc1	ZINC000908437829	855423590	/nfs/dbraw/zinc/42/35/90/855423590.db2.gz	UMRYCPPXUUMXOK-UHFFFAOYSA-N	1	0	357.479	1.957	20	30		FDEDRO
CON=C(C(=O)N1CC[N@H+](C)C2(CCCCC2)C1)c1csc(N)n1	ZINC000908575876	855590440	/nfs/dbraw/zinc/59/04/40/855590440.db2.gz	WGLIABNJOIDIFS-UHFFFAOYSA-N	1	0	351.476	1.553	20	30		FDEDRO
C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(c2cc[nH+]cc2)[C@@H](C)C1	ZINC000908655903	855660794	/nfs/dbraw/zinc/66/07/94/855660794.db2.gz	XRYROALQVMDDGP-RDJZCZTQSA-N	1	0	370.457	1.662	20	30		FDEDRO
C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1CCN(c2cc[nH+]cc2)[C@@H](C)C1	ZINC000908692217	855681569	/nfs/dbraw/zinc/68/15/69/855681569.db2.gz	QQCNZPFPUQLKDL-GJZGRUSLSA-N	1	0	367.457	1.178	20	30		FDEDRO
C=CCn1c(-c2ncon2)nnc1N1CCC(C[NH+]2CCOCC2)CC1	ZINC000908728645	855723074	/nfs/dbraw/zinc/72/30/74/855723074.db2.gz	FYJBFIJLIJWRIN-UHFFFAOYSA-N	1	0	359.434	1.063	20	30		FDEDRO
C=CCn1c(-c2ncon2)nnc1N1CCC(CC)([NH+]2CCOCC2)CC1	ZINC000908737173	855732269	/nfs/dbraw/zinc/73/22/69/855732269.db2.gz	XBTVTMAWOQVJCA-UHFFFAOYSA-N	1	0	373.461	1.595	20	30		FDEDRO
C=CCn1c(-c2ccc(=O)n(C)c2)nnc1N1CC[NH+]([C@H](C)CC)CC1	ZINC000908739972	855736779	/nfs/dbraw/zinc/73/67/79/855736779.db2.gz	GNIQLSXQDWMATG-OAHLLOKOSA-N	1	0	356.474	1.750	20	30		FDEDRO
C#CCCCc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CCOC	ZINC000909197642	856288808	/nfs/dbraw/zinc/28/88/08/856288808.db2.gz	XIPURZWPCUHIKJ-KRWDZBQOSA-N	1	0	361.490	1.039	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCC(=O)NCC[NH+]1CCCCC1	ZINC000909316367	856397564	/nfs/dbraw/zinc/39/75/64/856397564.db2.gz	VYSNMPOTWNIUEG-INIZCTEOSA-N	1	0	356.470	1.455	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H](C)c2cc(C)ccc2C)C[C@H]1OC	ZINC001212152715	862806535	/nfs/dbraw/zinc/80/65/35/862806535.db2.gz	YXCXXHGDGNMSJT-BHIYHBOVSA-N	1	0	371.481	1.319	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1	ZINC000487783747	856729586	/nfs/dbraw/zinc/72/95/86/856729586.db2.gz	QHAMTSHFNRRINX-ROUUACIJSA-N	1	0	364.534	1.476	20	30		FDEDRO
Cc1cc(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)cc(C)c1C#N	ZINC000910405983	857143161	/nfs/dbraw/zinc/14/31/61/857143161.db2.gz	NHQCWSYDOXGRRF-UHFFFAOYSA-N	1	0	370.497	1.702	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2CCCC2)C[C@H]1C	ZINC001105753098	862930960	/nfs/dbraw/zinc/93/09/60/862930960.db2.gz	JJIRLNMFKWEKSD-IJEWVQPXSA-N	1	0	364.490	1.261	20	30		FDEDRO
CC[C@H]1CCCN(C(=O)C(=O)N(c2ccc(C#N)cn2)[C@H]2CCC[NH2+]C2)C1	ZINC000910858631	857787806	/nfs/dbraw/zinc/78/78/06/857787806.db2.gz	QFEACWZCAADKRE-RDJZCZTQSA-N	1	0	369.469	1.687	20	30		FDEDRO
C#CCN(C(=O)C(=O)N(C)Cc1ccccc1Cl)C1CC[NH+](C)CC1	ZINC000910885546	857837521	/nfs/dbraw/zinc/83/75/21/857837521.db2.gz	KZQNTMUMTKWWPK-UHFFFAOYSA-N	1	0	361.873	1.854	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1	ZINC000910954012	857924642	/nfs/dbraw/zinc/92/46/42/857924642.db2.gz	WVIBSMNESCCDDT-DZKDUJFISA-N	1	0	371.481	1.259	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)C1	ZINC000668852606	857958438	/nfs/dbraw/zinc/95/84/38/857958438.db2.gz	CLFLVSWKZWDFCA-MRXNPFEDSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@](C)(C(N)=O)C1	ZINC000669335909	863004261	/nfs/dbraw/zinc/00/42/61/863004261.db2.gz	ZTBIDRUXMQJWIN-VCBZYWHSSA-N	1	0	374.489	1.092	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccnc2)C[C@H]1C	ZINC001105765373	863009994	/nfs/dbraw/zinc/00/99/94/863009994.db2.gz	QSCXXMQSDOLQGG-SJLPKXTDSA-N	1	0	356.470	1.580	20	30		FDEDRO
CCCCCCCCNC(=O)C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1	ZINC000911265401	858416815	/nfs/dbraw/zinc/41/68/15/858416815.db2.gz	BYMTWAVEMVWHQP-HNNXBMFYSA-N	1	0	367.490	1.265	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NCC[NH2+]C2CCCCCC2)cc1C#N	ZINC000911299132	858433613	/nfs/dbraw/zinc/43/36/13/858433613.db2.gz	VKUZASPPACCMHN-UHFFFAOYSA-N	1	0	356.470	1.912	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1C#N	ZINC000911431908	858613384	/nfs/dbraw/zinc/61/33/84/858613384.db2.gz	IRCVBNNAVGFNQF-UHFFFAOYSA-N	1	0	354.454	1.474	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)cc1C#N	ZINC000911433089	858614612	/nfs/dbraw/zinc/61/46/12/858614612.db2.gz	WEKFYBXVNILEDZ-HKUYNNGSSA-N	1	0	368.481	1.864	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1)[N@@H+]1CCC[C@H](C)C1	ZINC000249755952	863045246	/nfs/dbraw/zinc/04/52/46/863045246.db2.gz	HQNRQHHOIYXCDO-DLBZAZTESA-N	1	0	370.501	1.905	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1	ZINC000911557749	858762383	/nfs/dbraw/zinc/76/23/83/858762383.db2.gz	QIDAVJDTTZWDPH-QGZVFWFLSA-N	1	0	359.470	1.858	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)CCC[C@H]12	ZINC000991382138	859700900	/nfs/dbraw/zinc/70/09/00/859700900.db2.gz	FQRRDDJUKXELPN-FQLMCAECSA-N	1	0	360.376	1.469	20	30		FDEDRO
N#Cc1cc(CN2C[C@@H](NC(=O)C[C@@H]3C[C@H]3C3CC3)[C@@H](O)C2)ccc1F	ZINC001083654771	859838878	/nfs/dbraw/zinc/83/88/78/859838878.db2.gz	FTXQPBMSEFXSQT-WQCNXYOZSA-N	1	0	357.429	1.795	20	30		FDEDRO
CN1CC[N@H+](C)CC(C(=O)N2CCC(Nc3ccccc3C#N)CC2)C1	ZINC000912536328	859872149	/nfs/dbraw/zinc/87/21/49/859872149.db2.gz	TYWNIZYIDYTDAH-UHFFFAOYSA-N	1	0	355.486	1.455	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)Nc1ccc(C(=O)N=[S@](C)(=O)N(C)C)cc1	ZINC000912595124	859927640	/nfs/dbraw/zinc/92/76/40/859927640.db2.gz	LPPWCZQLVNDSKR-DEOSSOPVSA-N	1	0	352.460	1.458	20	30		FDEDRO
C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000912807206	860248185	/nfs/dbraw/zinc/24/81/85/860248185.db2.gz	JFMVBSSHDILYQM-QAPCUYQASA-N	1	0	356.470	1.867	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)Cc1cnccn1	ZINC000669034610	860852347	/nfs/dbraw/zinc/85/23/47/860852347.db2.gz	SXHXNKLQCCOEFI-CVEARBPZSA-N	1	0	355.446	1.426	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C[C@H]1C	ZINC001106872030	881591321	/nfs/dbraw/zinc/59/13/21/881591321.db2.gz	BTLBKHQELAINTA-VXGBXAGGSA-N	1	0	350.419	1.160	20	30		FDEDRO
C=CCn1c(-c2cn(C)nn2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1	ZINC000669037102	860940367	/nfs/dbraw/zinc/94/03/67/860940367.db2.gz	AERFRONCPZSCDB-CQSZACIVSA-N	1	0	356.478	1.570	20	30		FDEDRO
CC(=O)N(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)c(C#N)c2)[C@H](C)C1	ZINC001105849822	863484486	/nfs/dbraw/zinc/48/44/86/863484486.db2.gz	DBEPGHMPHDMOOR-CXAGYDPISA-N	1	0	360.433	1.360	20	30		FDEDRO
CCOc1nnc(C[NH2+]C[C@@H]2CN(C(=O)CSCC#N)C[C@H]2C)s1	ZINC001105850766	863489451	/nfs/dbraw/zinc/48/94/51/863489451.db2.gz	XUSCZZPYOQKMNK-VXGBXAGGSA-N	1	0	369.516	1.378	20	30		FDEDRO
CCc1noc(C)c1C[NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C	ZINC001105847941	863492590	/nfs/dbraw/zinc/49/25/90/863492590.db2.gz	LFSNSKUTSRSVLN-TZMCWYRMSA-N	1	0	350.488	1.986	20	30		FDEDRO
COCc1nc(C[NH2+]C[C@@H]2CN(C(=O)CSCC#N)C[C@H]2C)cs1	ZINC001105848349	863493714	/nfs/dbraw/zinc/49/37/14/863493714.db2.gz	WYNNVXTYKNYKHN-CHWSQXEVSA-N	1	0	368.528	1.730	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]CC(=O)N1CCCCCC1	ZINC001105849377	863497443	/nfs/dbraw/zinc/49/74/43/863497443.db2.gz	REYMVPKDUFFPSI-HZPDHXFCSA-N	1	0	366.531	1.330	20	30		FDEDRO
CC(C)c1nnc(C[NH2+]C[C@@H]2CN(C(=O)CSCC#N)C[C@H]2C)[nH]1	ZINC001105849488	863498667	/nfs/dbraw/zinc/49/86/67/863498667.db2.gz	WPEIBWIZXWERKC-CHWSQXEVSA-N	1	0	350.492	1.369	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2scnc2C)C[C@H]1C	ZINC001105858489	863518871	/nfs/dbraw/zinc/51/88/71/863518871.db2.gz	IIVIBLFPVVQNLB-MRVWCRGKSA-N	1	0	350.488	1.440	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CCCOCC)C[C@H]2C)C1=O	ZINC001105862705	863546031	/nfs/dbraw/zinc/54/60/31/863546031.db2.gz	PXVPDSHSLNHPAP-BRWVUGGUSA-N	1	0	351.491	1.274	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCN(Cc2cc(Cl)ccc2OCC#N)CC1	ZINC000760986585	863609354	/nfs/dbraw/zinc/60/93/54/863609354.db2.gz	WQQGQHOKXOZUQF-UHFFFAOYSA-N	1	0	364.877	1.838	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCCOC)C[C@H]1C	ZINC001105915284	863973714	/nfs/dbraw/zinc/97/37/14/863973714.db2.gz	ZSXXWFNRGPHAFB-IAGOWNOFSA-N	1	0	366.506	1.249	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1C	ZINC001105915422	863976708	/nfs/dbraw/zinc/97/67/08/863976708.db2.gz	GBVQMITZFJOFCN-BXUZGUMPSA-N	1	0	355.280	1.555	20	30		FDEDRO
C[C@@H]1CN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC[N@@H+]1C	ZINC000761072592	864014704	/nfs/dbraw/zinc/01/47/04/864014704.db2.gz	UIVFOQWNVRCMNM-CQSZACIVSA-N	1	0	353.388	1.809	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)c2ccc(F)cc2F)[C@H](C)C1	ZINC001105937877	864130002	/nfs/dbraw/zinc/13/00/02/864130002.db2.gz	JRENOJBSTLMXTR-LBTNJELSSA-N	1	0	368.424	1.885	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)COC)C[C@H]1C	ZINC001105940077	864140719	/nfs/dbraw/zinc/14/07/19/864140719.db2.gz	MWLDHUWXDVVQMT-IXDOHACOSA-N	1	0	351.491	1.154	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)[C@@H](C)CC(C)C)[C@H](C)C1	ZINC001105941733	864151948	/nfs/dbraw/zinc/15/19/48/864151948.db2.gz	JPUAMUZRHGSQMA-FGTMMUONSA-N	1	0	367.534	1.766	20	30		FDEDRO
C#CCN(C(=O)NCc1nccn1CC(F)(F)F)C1CC[NH+](C)CC1	ZINC000916551333	881741065	/nfs/dbraw/zinc/74/10/65/881741065.db2.gz	KWXFVHNNFJEKHT-UHFFFAOYSA-N	1	0	357.380	1.684	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1C	ZINC001105957055	864229727	/nfs/dbraw/zinc/22/97/27/864229727.db2.gz	TVABYPHDYLPSQF-MWLCHTKSSA-N	1	0	354.252	1.265	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ncccc2C)C[C@H]1C	ZINC001105992573	864409206	/nfs/dbraw/zinc/40/92/06/864409206.db2.gz	SPGRTXZYKXVDBJ-IAGOWNOFSA-N	1	0	371.485	1.450	20	30		FDEDRO
CCC[C@@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC001106021489	864720443	/nfs/dbraw/zinc/72/04/43/864720443.db2.gz	XQEINCFJRKDGSF-RBSFLKMASA-N	1	0	359.474	1.489	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+]Cc2nc(CCOC)no2)[C@H](C)C1	ZINC001106026103	864812558	/nfs/dbraw/zinc/81/25/58/864812558.db2.gz	WBWNLIQEKGFIMT-HZPDHXFCSA-N	1	0	362.474	1.636	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2N(C)C)[C@H](C)C1	ZINC001106028932	864873472	/nfs/dbraw/zinc/87/34/72/864873472.db2.gz	AEPZERGCEPHGDQ-SJLPKXTDSA-N	1	0	370.497	1.076	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]C/C=C/c2ccccc2)[C@H](C)C1	ZINC001106029191	864877542	/nfs/dbraw/zinc/87/75/42/864877542.db2.gz	KNYSDLIQACZKPE-FFRPFHMCSA-N	1	0	353.466	1.523	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCCc3ccccc32)[C@H](C)C1	ZINC001106034266	864911120	/nfs/dbraw/zinc/91/11/20/864911120.db2.gz	AVUMHSUVZXKSAL-YVWKXTFCSA-N	1	0	367.493	1.888	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCc3c2cccc3F)[C@H](C)C1	ZINC001106034562	864912758	/nfs/dbraw/zinc/91/27/58/864912758.db2.gz	HEESFCHNKUSCMU-CLCXKQKWSA-N	1	0	371.456	1.637	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NCCCOC)[C@H](C)C1	ZINC001106057143	865053014	/nfs/dbraw/zinc/05/30/14/865053014.db2.gz	VBMGKFOKGDDKCC-BRWVUGGUSA-N	1	0	351.491	1.015	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCC(C)(C)C)[C@H](C)C1	ZINC001106058998	865068588	/nfs/dbraw/zinc/06/85/88/865068588.db2.gz	MLBNHYYDQLIXNF-JXXFODFXSA-N	1	0	367.534	1.550	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)Cc2cncnc2)C[C@H]1C	ZINC001106061092	865074482	/nfs/dbraw/zinc/07/44/82/865074482.db2.gz	RDHHZHIXOMPRSM-BXUZGUMPSA-N	1	0	353.264	1.612	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cncnc2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106060798	865077785	/nfs/dbraw/zinc/07/77/85/865077785.db2.gz	FHVRZIPMYZSOKF-VQIMIIECSA-N	1	0	366.440	1.894	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CC3(OC)CCC3)C[C@H]2C)C1=O	ZINC001106067963	865140815	/nfs/dbraw/zinc/14/08/15/865140815.db2.gz	PZLASUSEDIOFDM-ZACQAIPSSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1COc2c(cccc2OC)C1)C1CC[NH+](C)CC1	ZINC000916624062	881841189	/nfs/dbraw/zinc/84/11/89/881841189.db2.gz	JSSWIMXBWFBGDP-MRXNPFEDSA-N	1	0	357.454	1.738	20	30		FDEDRO
N#Cc1ccccc1/C=C/C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000171340817	865192407	/nfs/dbraw/zinc/19/24/07/865192407.db2.gz	KWNDDZJXYAURJH-BQYQJAHWSA-N	1	0	352.438	1.338	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc4nonc4c3)[C@@H]2C)nn1	ZINC001088907285	865373290	/nfs/dbraw/zinc/37/32/90/865373290.db2.gz	JYIWBUYXPSHVTR-OCCSQVGLSA-N	1	0	367.413	1.393	20	30		FDEDRO
C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)[C@H]1C	ZINC001088912752	865404951	/nfs/dbraw/zinc/40/49/51/865404951.db2.gz	OZWPWMFCSGYCEO-QSOKESPWSA-N	1	0	356.470	1.756	20	30		FDEDRO
COc1ccnc(C(=N)Nc2nc(C3CC[NH2+]CC3)cc3nc[nH]c32)n1	ZINC001168420717	865453912	/nfs/dbraw/zinc/45/39/12/865453912.db2.gz	DEEBNKNTPXBRGN-UHFFFAOYSA-N	1	0	352.402	1.261	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2Cc3c(cccc3C)O2)C[C@H]1C	ZINC001106883813	881895752	/nfs/dbraw/zinc/89/57/52/881895752.db2.gz	KHTARHVUOGYSSG-GPMSIDNRSA-N	1	0	371.481	1.285	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3n[nH]nc3C2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088978259	865858355	/nfs/dbraw/zinc/85/83/55/865858355.db2.gz	HXGCTIWKJZFBIM-COXVUDFISA-N	1	0	364.453	1.560	20	30		FDEDRO
COc1ccc(C#N)cc1CN1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C	ZINC001088983193	865911444	/nfs/dbraw/zinc/91/14/44/865911444.db2.gz	LUXJQOLTUHUTMJ-QAPCUYQASA-N	1	0	368.481	1.742	20	30		FDEDRO
C=CCN1CC[C@H](N2CC[C@H](NC(=O)c3c[nH+]ccc3N(C)C)[C@H]2C)C1=O	ZINC001088985883	865926061	/nfs/dbraw/zinc/92/60/61/865926061.db2.gz	YQZALUFWXKIEGH-HFTRVMKXSA-N	1	0	371.485	1.127	20	30		FDEDRO
CC[NH+](CC)[C@@H]1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000173469270	865975606	/nfs/dbraw/zinc/97/56/06/865975606.db2.gz	RXEHHVXIUMMQCL-GOSISDBHSA-N	1	0	369.469	1.696	20	30		FDEDRO
CC(=O)N1CC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)C1	ZINC001089007192	866052075	/nfs/dbraw/zinc/05/20/75/866052075.db2.gz	TVKBPDQFNWHQSV-CCKFTAQKSA-N	1	0	354.454	1.506	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3ccccc3OC)[C@H]2C)C1=O	ZINC001089025165	866125701	/nfs/dbraw/zinc/12/57/01/866125701.db2.gz	QPXMIEUXQYTNIS-BPQIPLTHSA-N	1	0	371.481	1.604	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)Cn2ccccc2=O)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001089031222	866169736	/nfs/dbraw/zinc/16/97/36/866169736.db2.gz	XLGKIEVYGIRTAU-QAPCUYQASA-N	1	0	350.422	1.499	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)Cn2ccccc2=O)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001089031161	866169954	/nfs/dbraw/zinc/16/99/54/866169954.db2.gz	UFRMZRQMEYJOIX-QAPCUYQASA-N	1	0	350.422	1.499	20	30		FDEDRO
CCN1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)C1	ZINC001089053484	866333654	/nfs/dbraw/zinc/33/36/54/866333654.db2.gz	YPTLTCBGNGIICN-AYOQOUSVSA-N	1	0	356.470	1.358	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3noc(C4CC4)n3)[C@@H]2C)CC1	ZINC001089060018	866390033	/nfs/dbraw/zinc/39/00/33/866390033.db2.gz	NZDMQIXMTQVLHN-PBHICJAKSA-N	1	0	371.485	1.371	20	30		FDEDRO
COc1cc(CNC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)ccc1C#N	ZINC000462475208	867993272	/nfs/dbraw/zinc/99/32/72/867993272.db2.gz	OVCKKAZVPWMBDL-KRWDZBQOSA-N	1	0	360.458	1.459	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]CC2CCS(=O)(=O)CC2)[C@H](C)C1	ZINC001106099765	868063563	/nfs/dbraw/zinc/06/35/63/868063563.db2.gz	ORWKOEPISXUKJW-NVXWUHKLSA-N	1	0	354.516	1.155	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]CC(=O)N(C)Cc1ccccc1	ZINC001106101172	868094692	/nfs/dbraw/zinc/09/46/92/868094692.db2.gz	KTKZPANFOVXIKK-YLJYHZDGSA-N	1	0	367.493	1.743	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]CCOC[C@H]2CCCCO2)[C@H](C)C1	ZINC001106105283	868138361	/nfs/dbraw/zinc/13/83/61/868138361.db2.gz	QAJLULPCLUNUFM-GUDVDZBRSA-N	1	0	350.503	1.916	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C)C(=O)NCc1ccccc1	ZINC001106106187	868179610	/nfs/dbraw/zinc/17/96/10/868179610.db2.gz	MRTQQPJBGQARII-MBOZVWFJSA-N	1	0	367.493	1.789	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C	ZINC001106106212	868181715	/nfs/dbraw/zinc/18/17/15/868181715.db2.gz	NPQOXNAZRYGQDD-IAGOWNOFSA-N	1	0	360.502	1.482	20	30		FDEDRO
COc1cccc([C@H](O)C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)c1	ZINC001106106480	868189377	/nfs/dbraw/zinc/18/93/77/868189377.db2.gz	ZIVALDSHIXHPBW-XFQXTVEOSA-N	1	0	356.466	1.826	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]C[C@H](O)COCc1ccco1	ZINC001106106494	868190344	/nfs/dbraw/zinc/19/03/44/868190344.db2.gz	ZVOOVARPFQGGBY-NXHRZFHOSA-N	1	0	360.454	1.255	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1C	ZINC001106107538	868247611	/nfs/dbraw/zinc/24/76/11/868247611.db2.gz	DUUCJLUIPATGGX-DGCLKSJQSA-N	1	0	355.280	1.555	20	30		FDEDRO
N#Cc1ccc(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1O	ZINC000443283935	868265116	/nfs/dbraw/zinc/26/51/16/868265116.db2.gz	LQWPEAFOOZHBKY-HXUWFJFHSA-N	1	0	351.406	1.631	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2CC1	ZINC000946786095	882170959	/nfs/dbraw/zinc/17/09/59/882170959.db2.gz	FBZKFKHTYLWYOK-ATLSCFEFSA-N	1	0	361.486	1.027	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C[NH2+]CC(=O)N1CCC[C@@H](C)C1	ZINC001106109650	868299727	/nfs/dbraw/zinc/29/97/27/868299727.db2.gz	OXSUKSANOZLIQP-KZNAEPCWSA-N	1	0	361.530	1.979	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cccc(OCC)n2)[C@H](C)C1	ZINC001106111219	868388280	/nfs/dbraw/zinc/38/82/80/868388280.db2.gz	IXPWQSWHVBRITK-IXDOHACOSA-N	1	0	359.470	1.703	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cn(C(C)(C)C)nc2C)C[C@H]1C	ZINC001106113154	868420717	/nfs/dbraw/zinc/42/07/17/868420717.db2.gz	XAXSKQIAGAIPRK-NVXWUHKLSA-N	1	0	360.502	1.894	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]CCCC2CCOCC2)[C@H](C)C1	ZINC001106115098	868513963	/nfs/dbraw/zinc/51/39/63/868513963.db2.gz	ORVMWEHYMSTMHH-IEBWSBKVSA-N	1	0	350.503	1.917	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1cc(C)ncn1)CC2	ZINC000992237922	868537524	/nfs/dbraw/zinc/53/75/24/868537524.db2.gz	BLVYZOZEPHGRRF-DOADOZAASA-N	1	0	356.470	1.989	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000992312830	868953502	/nfs/dbraw/zinc/95/35/02/868953502.db2.gz	KEOSQGZDVJPDNJ-GDBMZVCRSA-N	1	0	357.454	1.532	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@]2(CNC(=O)C2)C1	ZINC000464800923	869018971	/nfs/dbraw/zinc/01/89/71/869018971.db2.gz	HQQROAAHLNUIOQ-JXFKEZNVSA-N	1	0	354.454	1.924	20	30		FDEDRO
COc1ccccc1N1CC[C@H]([NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)C1	ZINC000464995809	869085558	/nfs/dbraw/zinc/08/55/58/869085558.db2.gz	NWNIMROLPMZWNP-QFBILLFUSA-N	1	0	350.422	1.962	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCC[NH+]1CCCC1	ZINC000465219453	869171937	/nfs/dbraw/zinc/17/19/37/869171937.db2.gz	XVVGTAKNLOCTAP-HNNXBMFYSA-N	1	0	357.462	1.054	20	30		FDEDRO
C=C(C)C[C@@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C(=O)OCC	ZINC000916734022	882357211	/nfs/dbraw/zinc/35/72/11/882357211.db2.gz	BYGBWLDGLJTJIL-MRXNPFEDSA-N	1	0	360.458	1.461	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@H](CS(N)(=O)=O)C1)C(C)C	ZINC000914127516	870947761	/nfs/dbraw/zinc/94/77/61/870947761.db2.gz	KGBGDOVPTRLQKU-HOTGVXAUSA-N	1	0	372.535	1.005	20	30		FDEDRO
C[NH+](C)C1CCN(C(=O)Cc2noc(Cc3ccccc3CC#N)n2)CC1	ZINC000350980931	870952595	/nfs/dbraw/zinc/95/25/95/870952595.db2.gz	XFJDPOQMZWRJIC-UHFFFAOYSA-N	1	0	367.453	1.822	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cscc2C(F)F)C[C@H]1C	ZINC001106142251	871207708	/nfs/dbraw/zinc/20/77/08/871207708.db2.gz	WCCOXABHEYKYED-VXGBXAGGSA-N	1	0	369.437	1.733	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@H]2C)cn1	ZINC000994385897	882491020	/nfs/dbraw/zinc/49/10/20/882491020.db2.gz	JMQZVUFWFPTQKT-JFIYKMOQSA-N	1	0	368.481	1.372	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@]2(C)C1	ZINC000992687452	871329560	/nfs/dbraw/zinc/32/95/60/871329560.db2.gz	KBPJZJFFTLMDPN-CSODHUTKSA-N	1	0	370.497	1.689	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3cccnc3n2)C[C@H]1C	ZINC001106154962	871449015	/nfs/dbraw/zinc/44/90/15/871449015.db2.gz	MSYJUGQIQRALPC-GDBMZVCRSA-N	1	0	367.453	1.230	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NC)[C@H](C)C1	ZINC001106173862	871601973	/nfs/dbraw/zinc/60/19/73/871601973.db2.gz	JLHWENOWADFHRZ-IIAWOOMASA-N	1	0	364.490	1.283	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)NC[C@@H](C)N1CC[NH+](C)CC1	ZINC000914172985	871671347	/nfs/dbraw/zinc/67/13/47/871671347.db2.gz	ZODOWCFPNUXZSS-MRXNPFEDSA-N	1	0	364.515	1.230	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCCN(C)C(=O)OC(C)(C)C)CC1	ZINC000914173100	871671961	/nfs/dbraw/zinc/67/19/61/871671961.db2.gz	CVFBAUNPRXIWOV-UHFFFAOYSA-N	1	0	352.479	1.640	20	30		FDEDRO
C#CCN(C(=O)NCc1cccnc1-n1ccnc1C)C1CC[NH+](C)CC1	ZINC000914323008	872363126	/nfs/dbraw/zinc/36/31/26/872363126.db2.gz	RTXYNQIZGSTIQB-UHFFFAOYSA-N	1	0	366.469	1.815	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cnc3[nH]c(=O)[nH]c3c2)[C@H](OC)C1	ZINC001212493907	872427680	/nfs/dbraw/zinc/42/76/80/872427680.db2.gz	JQXGNXHUCFJAJU-KCPJHIHWSA-N	1	0	359.430	1.447	20	30		FDEDRO
C[NH+](C)CCOCCNC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1	ZINC000922145178	872448973	/nfs/dbraw/zinc/44/89/73/872448973.db2.gz	PHBHIAORJPKURN-MRXNPFEDSA-N	1	0	360.462	1.117	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@]3(C)C2)C1	ZINC000992815788	872471116	/nfs/dbraw/zinc/47/11/16/872471116.db2.gz	LUMGLQXHJNVRIT-KKVAFCGZSA-N	1	0	369.469	1.149	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001033490723	882619761	/nfs/dbraw/zinc/61/97/61/882619761.db2.gz	VLRNZZMFDYMCOO-ZIFCJYIRSA-N	1	0	356.470	1.710	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C3)nc1	ZINC001003150882	872668144	/nfs/dbraw/zinc/66/81/44/872668144.db2.gz	MIFBBOCIXBGODV-DZLVSBGCSA-N	1	0	366.465	1.265	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1	ZINC000423137179	872909526	/nfs/dbraw/zinc/90/95/26/872909526.db2.gz	ZUXXEWAMNVGUSV-UHFFFAOYSA-N	1	0	368.481	1.899	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)c2cc(C(C)C)nn2CC)[C@H](OC)C1	ZINC001212508001	872964731	/nfs/dbraw/zinc/96/47/31/872964731.db2.gz	YIHYIAVSYGUPJK-SJLPKXTDSA-N	1	0	364.490	1.658	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NCCCOC)[C@H](C)C1	ZINC001106181187	873019048	/nfs/dbraw/zinc/01/90/48/873019048.db2.gz	KJRGMEKZSOMBCJ-BRWVUGGUSA-N	1	0	367.534	1.814	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)[C@H](C)C1	ZINC001106183700	873078036	/nfs/dbraw/zinc/07/80/36/873078036.db2.gz	KENPDHIOHYRHNT-BZUAXINKSA-N	1	0	356.532	1.708	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1nnn(C)c1C(F)(F)F)C2	ZINC001112541971	873082690	/nfs/dbraw/zinc/08/26/90/873082690.db2.gz	YOZUBRVTZJQRGA-NHYWBVRUSA-N	1	0	357.380	1.852	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C)C1	ZINC000992904194	873125927	/nfs/dbraw/zinc/12/59/27/873125927.db2.gz	LIZQSRCCWVEKOE-KNKQGSTJSA-N	1	0	371.525	1.970	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C)C1)[NH+]1CCCCCC1	ZINC000992904748	873128581	/nfs/dbraw/zinc/12/85/81/873128581.db2.gz	NKNPUNRPKHDNFE-KPLVRAHFSA-N	1	0	371.525	1.971	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CC(C)(F)F)CC1	ZINC001003365110	873183509	/nfs/dbraw/zinc/18/35/09/873183509.db2.gz	HLISKHQYAOJKLP-OAGGEKHMSA-N	1	0	367.440	1.625	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c(F)cncc2F)C[C@H]1C	ZINC001106186778	873183673	/nfs/dbraw/zinc/18/36/73/873183673.db2.gz	BVMCIYDPRYOFBL-JHJVBQTASA-N	1	0	366.412	1.348	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2)[C@@H](n2ccnn2)C1	ZINC001128688509	882697728	/nfs/dbraw/zinc/69/77/28/882697728.db2.gz	LJMDIJRKYWHYOI-SJORKVTESA-N	1	0	357.462	1.413	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@]23C[C@H]2CCC3)CC1	ZINC001003365265	873213551	/nfs/dbraw/zinc/21/35/51/873213551.db2.gz	KGEMHXJGIVCTFI-FHRFECMSSA-N	1	0	369.509	1.770	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+]Cc2nc(CCOC)no2)[C@H](C)C1	ZINC001106190160	873242556	/nfs/dbraw/zinc/24/25/56/873242556.db2.gz	WLFPAOQDYOWTKB-HUUCEWRRSA-N	1	0	350.463	1.799	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@@H]2CCCO2)[C@H](C)C1	ZINC001106193859	873274796	/nfs/dbraw/zinc/27/47/96/873274796.db2.gz	WGCXEWXCWDRINY-ZACQAIPSSA-N	1	0	351.491	1.322	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C(C)C)[C@H](C)C1)OCC	ZINC001106197388	873466400	/nfs/dbraw/zinc/46/64/00/873466400.db2.gz	UQGCGYQZUPPCOT-KZNAEPCWSA-N	1	0	367.534	1.909	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C[C@H]1C	ZINC001106201209	873656021	/nfs/dbraw/zinc/65/60/21/873656021.db2.gz	XNLWYFGGMWAVOO-IXDOHACOSA-N	1	0	365.518	1.520	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC000761662242	873882611	/nfs/dbraw/zinc/88/26/11/873882611.db2.gz	BBFQNSDCCJDQFX-HOTGVXAUSA-N	1	0	362.405	1.791	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3nnc(CC)n3C)[C@H](C)C2)CCC1	ZINC001106236147	874062073	/nfs/dbraw/zinc/06/20/73/874062073.db2.gz	BQTMSHHFDITIQV-HZPDHXFCSA-N	1	0	357.502	1.755	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]CCOCCNC(C)=O)[C@H](C)C2)CCC1	ZINC001106237073	874065408	/nfs/dbraw/zinc/06/54/08/874065408.db2.gz	DKKILTZHINIHKS-SJLPKXTDSA-N	1	0	363.502	1.017	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106239886	874079701	/nfs/dbraw/zinc/07/97/01/874079701.db2.gz	BJGWETCVOBEXFC-NZSAHSFTSA-N	1	0	353.466	1.248	20	30		FDEDRO
CCCCCCCCOCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(N)=O)[C@H](C)C1	ZINC001106255694	874169776	/nfs/dbraw/zinc/16/97/76/874169776.db2.gz	FDUAXCDAUOKWBK-BRWVUGGUSA-N	1	0	355.523	1.921	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CNC(=O)c3ccccc32)C[C@H]1C	ZINC001106260901	874210538	/nfs/dbraw/zinc/21/05/38/874210538.db2.gz	HGJAVJAAGWVKKO-MRRJBJDNSA-N	1	0	361.873	1.950	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnc(C(F)(F)F)nc2)C[C@H]1C	ZINC001106294252	874561360	/nfs/dbraw/zinc/56/13/60/874561360.db2.gz	QIRZGJLAAMUSEI-TZMCWYRMSA-N	1	0	370.375	1.443	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@H]1C	ZINC001106327448	874790132	/nfs/dbraw/zinc/79/01/32/874790132.db2.gz	FHJTZDUNQFDBAN-ZYHUDNBSSA-N	1	0	367.309	1.014	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2coc(S(N)(=O)=O)c2)C[C@H]1C	ZINC001106333493	874819604	/nfs/dbraw/zinc/81/96/04/874819604.db2.gz	JROLDGZXVUMXDN-TZMCWYRMSA-N	1	0	355.460	1.191	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccncc2CC)C[C@H]1C	ZINC001106350457	874869815	/nfs/dbraw/zinc/86/98/15/874869815.db2.gz	JGLNSYQIDYHTIE-BFYDXBDKSA-N	1	0	356.470	1.080	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c[nH]nc2CCC)C[C@H]1C	ZINC001106360367	874906884	/nfs/dbraw/zinc/90/68/84/874906884.db2.gz	ALOCWEMPYIGGST-RBSFLKMASA-N	1	0	361.490	1.351	20	30		FDEDRO
N#CCSCC(=O)N[C@@H]1C[N@H+](CCCC2CCC2)C[C@@H]1n1ccnn1	ZINC001128723708	882875346	/nfs/dbraw/zinc/87/53/46/882875346.db2.gz	AQTZLNLTXWTPDW-CVEARBPZSA-N	1	0	362.503	1.457	20	30		FDEDRO
CCC(CC)C[N@@H+]1C[C@@H](NC(=O)CSCC#N)[C@@H](n2ccnn2)C1	ZINC001128723770	882875721	/nfs/dbraw/zinc/87/57/21/882875721.db2.gz	DHKAQGULPCMFOG-CABCVRRESA-N	1	0	350.492	1.313	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CCc2c(C)nc[nH]c2=O)C[C@H]1C	ZINC001106365761	874919480	/nfs/dbraw/zinc/91/94/80/874919480.db2.gz	FSQVVACDRWLMBQ-BXUZGUMPSA-N	1	0	352.866	1.860	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cn(-c3ccccc3)nn2)C[C@H]1C	ZINC001106365599	874919671	/nfs/dbraw/zinc/91/96/71/874919671.db2.gz	UIUIZXTZSRCULO-IAGOWNOFSA-N	1	0	367.453	1.215	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(=O)NC(C)C)C[C@H]1C	ZINC001106373975	874962125	/nfs/dbraw/zinc/96/21/25/874962125.db2.gz	WWPBZRALCRYRTO-IAGOWNOFSA-N	1	0	352.523	1.093	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(CC)s2)C[C@H]1C	ZINC001106389758	875046325	/nfs/dbraw/zinc/04/63/25/875046325.db2.gz	VTFXIUFPSAGVFI-QLFBSQMISA-N	1	0	361.511	1.746	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(COC)CC2)C[C@H]1C	ZINC001106425011	875231538	/nfs/dbraw/zinc/23/15/38/875231538.db2.gz	CZSSEFUTBAFSTR-IAGOWNOFSA-N	1	0	365.518	1.522	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC(C)(C)CC(F)F)C[C@H]1C	ZINC001106451749	875366343	/nfs/dbraw/zinc/36/63/43/875366343.db2.gz	BENYDUYVGOJYOE-RBSFLKMASA-N	1	0	371.472	1.880	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ncc(C)cc2C)C[C@H]1C	ZINC001106458608	875433971	/nfs/dbraw/zinc/43/39/71/875433971.db2.gz	FVZKQFPICTUASZ-BRWVUGGUSA-N	1	0	356.470	1.134	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)C1	ZINC000762231430	875545951	/nfs/dbraw/zinc/54/59/51/875545951.db2.gz	BOKGGESBAVSLCT-QGZVFWFLSA-N	1	0	358.438	1.726	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]nc2[C@H]2CCOC2)C[C@H]1C	ZINC001106481570	875619041	/nfs/dbraw/zinc/61/90/41/875619041.db2.gz	VAUPYAAAGKHHTN-KWCYVHTRSA-N	1	0	352.866	1.964	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]Cc2cnnn2CC)[C@H](C)C1	ZINC001106486052	875639732	/nfs/dbraw/zinc/63/97/32/875639732.db2.gz	KHDPCZSZUQPNEC-GPMSIDNRSA-N	1	0	363.506	1.711	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2csnn2)C[C@H]1C	ZINC001106492307	875693646	/nfs/dbraw/zinc/69/36/46/875693646.db2.gz	OFUNVFBANPPRSK-ZIAGYGMSSA-N	1	0	363.487	1.036	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@@]3(C)C2)nc1	ZINC000993190118	875777739	/nfs/dbraw/zinc/77/77/39/875777739.db2.gz	DOHMIYHHMWVOHI-YRISNDGFSA-N	1	0	366.465	1.078	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@@]3(C)C2)nc1	ZINC000993190116	875777961	/nfs/dbraw/zinc/77/79/61/875777961.db2.gz	DOHMIYHHMWVOHI-DJPFJPOOSA-N	1	0	366.465	1.078	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(F)(F)F)[C@H](C)C1	ZINC001106517525	875811943	/nfs/dbraw/zinc/81/19/43/875811943.db2.gz	IYLGPRXTNCBDFH-CHWSQXEVSA-N	1	0	363.424	1.951	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NC)[C@H](C)C1	ZINC001106533784	875886728	/nfs/dbraw/zinc/88/67/28/875886728.db2.gz	KOIAYRKFBCWBGU-OWCLPIDISA-N	1	0	364.490	1.098	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COCC(C)C)[C@H](C)C1	ZINC001106556150	875945889	/nfs/dbraw/zinc/94/58/89/875945889.db2.gz	HWVOFALESZEODV-GUDVDZBRSA-N	1	0	352.519	1.898	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]CC[C@H]2CCS(=O)(=O)C2)[C@H](C)C1	ZINC001106559283	875966364	/nfs/dbraw/zinc/96/63/64/875966364.db2.gz	MWSFCDDCHQQCAQ-FGTMMUONSA-N	1	0	368.543	1.689	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2ccco2)[C@H](C)C1	ZINC001106559443	875966408	/nfs/dbraw/zinc/96/64/08/875966408.db2.gz	URYLZNUCXLKWPK-IAGOWNOFSA-N	1	0	359.470	1.774	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NCC)[C@H](C)C1	ZINC001106567249	875976133	/nfs/dbraw/zinc/97/61/33/875976133.db2.gz	AZGCVYVVINQUNO-QLFBSQMISA-N	1	0	352.479	1.119	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)N(C)CC(F)(F)F)C[C@H]1C	ZINC001106574614	875993709	/nfs/dbraw/zinc/99/37/09/875993709.db2.gz	MFKZNCFRZVROPB-RBSFLKMASA-N	1	0	365.440	1.756	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)N(C)CC(F)(F)F)C[C@H]1C	ZINC001106574585	875993885	/nfs/dbraw/zinc/99/38/85/875993885.db2.gz	KYJGZVIIVTZIGL-RBSFLKMASA-N	1	0	363.424	1.203	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2nc(Cl)cs2)C[C@H]1C	ZINC001106581564	876027480	/nfs/dbraw/zinc/02/74/80/876027480.db2.gz	IKDCAXKRBYSSGC-GRYCIOLGSA-N	1	0	368.890	1.232	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(=O)c2ccccc2)C[C@H]1C	ZINC001106612792	876174783	/nfs/dbraw/zinc/17/47/83/876174783.db2.gz	NUECYKKFRXEEAM-IEBWSBKVSA-N	1	0	371.481	1.093	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cccc(Cl)c2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106614354	876209068	/nfs/dbraw/zinc/20/90/68/876209068.db2.gz	HMRSJURYYLDQDR-UKRRQHHQSA-N	1	0	362.861	1.206	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCOCC3)[C@H](C)C2)CC1	ZINC001106633563	876284051	/nfs/dbraw/zinc/28/40/51/876284051.db2.gz	MSYJCJJNXVJSMX-IAGOWNOFSA-N	1	0	363.502	1.276	20	30		FDEDRO
C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1O	ZINC001083733207	876305512	/nfs/dbraw/zinc/30/55/12/876305512.db2.gz	DINRTFVIPHECJE-MSOLQXFVSA-N	1	0	368.437	1.188	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(CC)CC2)C[C@H]1C	ZINC001106635268	876310145	/nfs/dbraw/zinc/31/01/45/876310145.db2.gz	WAAMHECAQGRYCD-RBSFLKMASA-N	1	0	364.490	1.261	20	30		FDEDRO
COC[C@H](OC)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1	ZINC001106643912	876351536	/nfs/dbraw/zinc/35/15/36/876351536.db2.gz	NXZNZWQQCSOTLM-IOASZLSFSA-N	1	0	351.472	1.465	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCCCC)[C@H](C)C2)c1	ZINC001106650791	876388976	/nfs/dbraw/zinc/38/89/76/876388976.db2.gz	DCTZQZKNQSYPMS-CRAIPNDOSA-N	1	0	356.470	1.277	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNC(=O)COc2cccc(C#N)c2)ccn1	ZINC000762728984	876469256	/nfs/dbraw/zinc/46/92/56/876469256.db2.gz	OLKGILDEZSXNAY-UHFFFAOYSA-N	1	0	354.410	1.589	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CCC2)[C@H](C)C1	ZINC001106681049	876550343	/nfs/dbraw/zinc/55/03/43/876550343.db2.gz	SEAPIVYZZSKGRU-DDBAPUKQSA-N	1	0	363.502	1.178	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C)cc2Cl)C[C@H]1C	ZINC001106687565	876566333	/nfs/dbraw/zinc/56/63/33/876566333.db2.gz	VJAKMFVXCQLTSN-HUUCEWRRSA-N	1	0	361.873	1.696	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(F)c(F)c(F)c2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106694699	876578670	/nfs/dbraw/zinc/57/86/70/876578670.db2.gz	YLETWABETWZEHN-ZYHUDNBSSA-N	1	0	368.359	1.041	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3ccccc3C2)C[C@H]1C	ZINC001106699717	876608688	/nfs/dbraw/zinc/60/86/88/876608688.db2.gz	HLBROYMZQFJCDY-LSTHTHJFSA-N	1	0	369.509	1.778	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc(OCC)c2)C[C@H]1C	ZINC001106703117	876624512	/nfs/dbraw/zinc/62/45/12/876624512.db2.gz	AODVRQWIPHXJIA-JFIYKMOQSA-N	1	0	371.481	1.521	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)[C@H](C)C1	ZINC001106711266	876901377	/nfs/dbraw/zinc/90/13/77/876901377.db2.gz	OUQNGLJVRQCGHL-OWCLPIDISA-N	1	0	356.532	1.708	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C3CC3)no2)C[C@H]1C	ZINC001106715243	876927133	/nfs/dbraw/zinc/92/71/33/876927133.db2.gz	CLXZWYFRDLWMHH-UMVBOHGHSA-N	1	0	360.458	1.540	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCCCO2)C[C@H]1C	ZINC001106716011	876935222	/nfs/dbraw/zinc/93/52/22/876935222.db2.gz	UFDPJZSUKXKDLQ-BRWVUGGUSA-N	1	0	351.491	1.322	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cnn(-c3ccccn3)c2)C[C@H]1C	ZINC001106720960	876959226	/nfs/dbraw/zinc/95/92/26/876959226.db2.gz	OOFSRPOVQKUKNN-IAGOWNOFSA-N	1	0	369.469	1.768	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2cccnc2)[C@H](C)C1	ZINC001106733297	877266820	/nfs/dbraw/zinc/26/68/20/877266820.db2.gz	QERYJIJFJLYAKX-LZQZEXGQSA-N	1	0	358.486	1.737	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2cnns2)[C@H](C)C1	ZINC001106733621	877272310	/nfs/dbraw/zinc/27/23/10/877272310.db2.gz	CAKZRGADAGYQOR-XNRPHZJLSA-N	1	0	365.503	1.193	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC(=C)C)NC(C)=O)C[C@H]1C	ZINC001106733624	877272659	/nfs/dbraw/zinc/27/26/59/877272659.db2.gz	CCBJMNIFHIQAOI-NXHRZFHOSA-N	1	0	351.491	1.344	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](NC(=O)COC)C(C)C)C[C@H]1C	ZINC001106738079	877332936	/nfs/dbraw/zinc/33/29/36/877332936.db2.gz	BSGZIBGIGXRTKH-XPKDYRNWSA-N	1	0	359.898	1.210	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)C[C@H]1C	ZINC001106738605	877334097	/nfs/dbraw/zinc/33/40/97/877334097.db2.gz	IRPRFXIRZLMYGW-AEKKOLJUSA-N	1	0	367.493	1.559	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)c3ccccc32)[C@H](OC)C1	ZINC001212416859	912234909	/nfs/dbraw/zinc/23/49/09/912234909.db2.gz	VBQXJRFAQOLWAV-RCCFBDPRSA-N	1	0	357.454	1.295	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@@]2(C)C1	ZINC000993344816	877432115	/nfs/dbraw/zinc/43/21/15/877432115.db2.gz	FHTWPLWFJKVFOQ-HZUJVAHNSA-N	1	0	368.481	1.828	20	30		FDEDRO
CC(C)c1nc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)cs1	ZINC001106767802	877651570	/nfs/dbraw/zinc/65/15/70/877651570.db2.gz	UQNODWNEBQCMOD-CHWSQXEVSA-N	1	0	363.487	1.204	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnn3ccccc23)C[C@H]1C	ZINC001106775375	877743572	/nfs/dbraw/zinc/74/35/72/877743572.db2.gz	AFNGMFKISGRQIR-OWCLPIDISA-N	1	0	369.469	1.323	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCN(C)c2ccccc2)C[C@H]1C	ZINC001106776596	877756632	/nfs/dbraw/zinc/75/66/32/877756632.db2.gz	VTJVSDCCWYXHHO-RTBURBONSA-N	1	0	357.498	1.847	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3CN(C(=O)C[C@@H]4CC[N@@H+](C)C4)C[C@@]3(C)C2)C1	ZINC000993386931	877766541	/nfs/dbraw/zinc/76/65/41/877766541.db2.gz	OCGODKPOUGERTE-FVJLSDCUSA-N	1	0	359.514	1.991	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)CCc3c(C)nn(C)c3C)[C@H]2C1	ZINC001083157005	912289414	/nfs/dbraw/zinc/28/94/14/912289414.db2.gz	ZGPXUTJIUVHIQS-RBUKOAKNSA-N	1	0	360.502	1.847	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)CC(C)C)C[C@H]1C	ZINC001106807270	878087361	/nfs/dbraw/zinc/08/73/61/878087361.db2.gz	KJXGSVNZTJFURM-BZUAXINKSA-N	1	0	366.506	1.365	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3[nH]c(C)nc3c2)C[C@H]1C	ZINC001106810146	878154407	/nfs/dbraw/zinc/15/44/07/878154407.db2.gz	UWPMYLPOGOZKEE-CZUORRHYSA-N	1	0	369.469	1.471	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cnn(-c3ccncc3)c2)C[C@H]1C	ZINC001106811261	878171697	/nfs/dbraw/zinc/17/16/97/878171697.db2.gz	YGXFSVYMEZNAMV-IAGOWNOFSA-N	1	0	369.469	1.768	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1C	ZINC001106811734	878186498	/nfs/dbraw/zinc/18/64/98/878186498.db2.gz	QIAUUZGQFUCJJZ-ZWNOBZJWSA-N	1	0	358.280	1.105	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCc2ccc(Br)nc2N)CC1	ZINC000922443782	878191070	/nfs/dbraw/zinc/19/10/70/878191070.db2.gz	DMIHGJDGVZPZPA-UHFFFAOYSA-N	1	0	352.232	1.815	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(NC(N)=O)CCCCC1)C2	ZINC001112540081	912358637	/nfs/dbraw/zinc/35/86/37/912358637.db2.gz	DZMYMZXXVBBCNA-LPHOPBHVSA-N	1	0	360.502	1.599	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1CCOc2c(cccc2C(=O)OC)C1	ZINC000922628067	878847766	/nfs/dbraw/zinc/84/77/66/878847766.db2.gz	BDSHOGINDPIELO-UHFFFAOYSA-N	1	0	359.426	1.332	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCCc2nc(C)no2)C1	ZINC001033087283	878850443	/nfs/dbraw/zinc/85/04/43/878850443.db2.gz	UNAYWOKYVJDOPS-BBWFWOEESA-N	1	0	362.474	1.825	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H](c2ncc(C(=O)OC)s2)C1	ZINC000922629504	878851299	/nfs/dbraw/zinc/85/12/99/878851299.db2.gz	LLPNPJBMGGJLRO-ZDUSSCGKSA-N	1	0	364.471	1.384	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)Oc3ccc(OC)cc3)[C@H]2C1	ZINC001083158439	912393634	/nfs/dbraw/zinc/39/36/34/912393634.db2.gz	ZKTFRNILWCXAOM-ZYSHUDEJSA-N	1	0	360.454	1.950	20	30		FDEDRO
N#CCCn1cc(C[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)c(-c2ccncc2)n1	ZINC000922726639	879090943	/nfs/dbraw/zinc/09/09/43/879090943.db2.gz	XHLWRYHWNWUPJH-NXHRZFHOSA-N	1	0	353.426	1.752	20	30		FDEDRO
C[C@H](C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1O)[NH+]1CCCCCC1	ZINC001083831463	879130559	/nfs/dbraw/zinc/13/05/59/879130559.db2.gz	MXLWDUOLCSSQRO-AHRSYUTCSA-N	1	0	370.497	1.484	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)c3ccoc3C)[C@H](C)C2)CC1	ZINC000993728756	879467732	/nfs/dbraw/zinc/46/77/32/879467732.db2.gz	GPNPQTSUMXSRCZ-CRAIPNDOSA-N	1	0	371.481	1.758	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3C[N@H+](C4CC4)C[C@@H]3C)CC2)o1	ZINC000332721005	879617483	/nfs/dbraw/zinc/61/74/83/879617483.db2.gz	DWUJJCVGYYPAIP-SJCJKPOMSA-N	1	0	357.458	1.670	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)c2ccc3c[nH+]cn3c2C)C1	ZINC001004542111	879830386	/nfs/dbraw/zinc/83/03/86/879830386.db2.gz	RXQZFJQNAAKETP-MSOLQXFVSA-N	1	0	368.437	1.422	20	30		FDEDRO
C=C1CC(C)(C(=O)NC2CN(C(=O)[C@@H]3CN(c4ccccn4)C[C@H]3C)C2)C1	ZINC000999292430	912531428	/nfs/dbraw/zinc/53/14/28/912531428.db2.gz	BWHUGPHHIPFSEC-NVXWUHKLSA-N	1	0	368.481	1.837	20	30		FDEDRO
C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC000993908503	880114469	/nfs/dbraw/zinc/11/44/69/880114469.db2.gz	PBLWUJOOOPMQSS-HUUCEWRRSA-N	1	0	369.469	1.339	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC000994138305	880901390	/nfs/dbraw/zinc/90/13/90/880901390.db2.gz	CGKFHAUSGBKWHI-KYJSFNMBSA-N	1	0	371.485	1.585	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)c3ccoc3C)C[C@H]2C)CC1	ZINC000994138169	880901617	/nfs/dbraw/zinc/90/16/17/880901617.db2.gz	ZBRQOJIELSRSEV-CRAIPNDOSA-N	1	0	371.481	1.758	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)Cc3ccco3)C[C@H]2C)CC1	ZINC000994139482	880906412	/nfs/dbraw/zinc/90/64/12/880906412.db2.gz	LEZUUHDJZLRLRJ-SJLPKXTDSA-N	1	0	371.481	1.378	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H](OC)C(F)(F)F)C[C@H]1C	ZINC001106846407	881012884	/nfs/dbraw/zinc/01/28/84/881012884.db2.gz	YWNGZIINNUEFLI-MGPQQGTHSA-N	1	0	350.381	1.288	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CCc2nc3cc[nH]cc-3n2)C[C@H]1C	ZINC001106847225	881029045	/nfs/dbraw/zinc/02/90/45/881029045.db2.gz	RZLZXGOOLZAHGH-HZPDHXFCSA-N	1	0	371.485	1.777	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNC(=O)N2C[C@@H](C)N(CC#N)[C@H](C)C2)CC1	ZINC000917419323	883398591	/nfs/dbraw/zinc/39/85/91/883398591.db2.gz	PVJIBSDNXHVBMI-HZPDHXFCSA-N	1	0	365.522	1.504	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1	ZINC001033951706	883569091	/nfs/dbraw/zinc/56/90/91/883569091.db2.gz	JIDWEKXMWASZGV-YESZJQIVSA-N	1	0	351.491	1.511	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1	ZINC001033951705	883569538	/nfs/dbraw/zinc/56/95/38/883569538.db2.gz	JIDWEKXMWASZGV-IXDOHACOSA-N	1	0	351.491	1.511	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](CCCc2nc(C)no2)C1	ZINC001033954421	883578942	/nfs/dbraw/zinc/57/89/42/883578942.db2.gz	OQGQAAJMZGLWBL-BBWFWOEESA-N	1	0	362.474	1.825	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1	ZINC000917652971	883655862	/nfs/dbraw/zinc/65/58/62/883655862.db2.gz	FCUIWRJDBQLWFA-JKSUJKDBSA-N	1	0	363.483	1.508	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1	ZINC000917652967	883656010	/nfs/dbraw/zinc/65/60/10/883656010.db2.gz	FCUIWRJDBQLWFA-CVEARBPZSA-N	1	0	363.483	1.508	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)C2CCCCCC2)[C@@H](n2ccnn2)C1	ZINC001128804202	883684190	/nfs/dbraw/zinc/68/41/90/883684190.db2.gz	WGMYTZWSTHAMAT-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc3c(s2)CCOC3)C[C@H]1C	ZINC001106889634	883776158	/nfs/dbraw/zinc/77/61/58/883776158.db2.gz	XQORAJMZIBIMTQ-GDBMZVCRSA-N	1	0	362.495	1.768	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)CC1	ZINC000994541980	883844000	/nfs/dbraw/zinc/84/40/00/883844000.db2.gz	JLTBVZHFDOVATE-VQIMIIECSA-N	1	0	359.514	1.731	20	30		FDEDRO
C[NH+]1CCN(CC2CN(S(=O)(=O)c3ccc(CCC#N)cc3)C2)CC1	ZINC000917889115	883914610	/nfs/dbraw/zinc/91/46/10/883914610.db2.gz	BWPSXEALCUNRQB-UHFFFAOYSA-N	1	0	362.499	1.011	20	30		FDEDRO
CC/C=C/CC[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](n2ccnn2)C1	ZINC001128878560	883920408	/nfs/dbraw/zinc/92/04/08/883920408.db2.gz	WPBFOJSLMJMOEA-YRLOJYSSSA-N	1	0	353.430	1.489	20	30		FDEDRO
C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)CC1	ZINC001005524236	883952100	/nfs/dbraw/zinc/95/21/00/883952100.db2.gz	GMMIIAXJZHEJGK-IEBWSBKVSA-N	1	0	358.486	1.927	20	30		FDEDRO
C#CCN(C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[C@H]1CCCc2ccccc21	ZINC000917972160	883969426	/nfs/dbraw/zinc/96/94/26/883969426.db2.gz	MDPSWZZWGGPHSX-ICSRJNTNSA-N	1	0	354.498	1.955	20	30		FDEDRO
CCCCCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](n2ccnn2)C1	ZINC001128898446	883999763	/nfs/dbraw/zinc/99/97/63/883999763.db2.gz	WUEDPIXZRHVCOM-SJORKVTESA-N	1	0	355.446	1.713	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(F)cn2)[C@@H](n2ccnn2)C1	ZINC001128914521	884105145	/nfs/dbraw/zinc/10/51/45/884105145.db2.gz	ZMRARDQDPDPGSY-XKQJLSEDSA-N	1	0	358.421	1.822	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](OCC)C2CC2)C[C@@H]1n1ccnn1	ZINC001128938883	884153360	/nfs/dbraw/zinc/15/33/60/884153360.db2.gz	CFKITWGYWRFKPL-FGTMMUONSA-N	1	0	359.474	1.238	20	30		FDEDRO
COC(=O)c1ccccc1NC(=O)CO[NH+]=C(N)c1ccc(N(C)C)cc1	ZINC000918185745	884204271	/nfs/dbraw/zinc/20/42/71/884204271.db2.gz	YUFYQYMZRXRFFS-UHFFFAOYSA-N	1	0	370.409	1.815	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)n1	ZINC000245606015	884241370	/nfs/dbraw/zinc/24/13/70/884241370.db2.gz	QYJKBWOLGFIYNW-UONOGXRCSA-N	1	0	360.462	1.511	20	30		FDEDRO
C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1	ZINC001034401231	884306303	/nfs/dbraw/zinc/30/63/03/884306303.db2.gz	ZUTSCNWNUWZKKJ-OKZBNKHCSA-N	1	0	361.486	1.150	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccc(C(N)=O)cc2)C1	ZINC001034404034	884317215	/nfs/dbraw/zinc/31/72/15/884317215.db2.gz	NTZVEHMKVHNBSR-QRVBRYPASA-N	1	0	371.481	1.847	20	30		FDEDRO
C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001034436182	884368703	/nfs/dbraw/zinc/36/87/03/884368703.db2.gz	PKBSQXAEAILVAJ-ZIFCJYIRSA-N	1	0	356.470	1.758	20	30		FDEDRO
C[NH+]1C[C@@]2(C)CN(S(=O)(=O)Cc3ccc(C#N)cc3F)C[C@]2(C)C1	ZINC000918360770	884370014	/nfs/dbraw/zinc/37/00/14/884370014.db2.gz	VGTYNOKRAMXOCB-IRXDYDNUSA-N	1	0	351.447	1.801	20	30		FDEDRO
CC(C)(C)C#CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1n1ccnn1	ZINC001128980071	884566387	/nfs/dbraw/zinc/56/63/87/884566387.db2.gz	MDZCTHOPZMMHIR-BBWFWOEESA-N	1	0	359.474	1.096	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)Cc1csc(C#N)c1	ZINC000918512863	884582394	/nfs/dbraw/zinc/58/23/94/884582394.db2.gz	OYEQUCWYVSRUSF-UHFFFAOYSA-N	1	0	371.528	1.740	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCCC2CCC2)C[C@@H]1n1ccnn1	ZINC001128988851	884800526	/nfs/dbraw/zinc/80/05/26/884800526.db2.gz	GNMJJQGTPZFZTO-JQHSSLGASA-N	1	0	359.474	1.238	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCn2nc(C)nc2C)CC1	ZINC001034737367	884943989	/nfs/dbraw/zinc/94/39/89/884943989.db2.gz	YYYRIVWUWSWLDN-TVFCKZIOSA-N	1	0	361.490	1.503	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCN(C)C2=O)CC1	ZINC001034752943	884963443	/nfs/dbraw/zinc/96/34/43/884963443.db2.gz	ANUHNLUHNMUHIQ-ATIWLJMLSA-N	1	0	363.502	1.605	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)[C@H](O)c3ccc(C#N)cc3)cc2)CC1	ZINC000918857450	884963567	/nfs/dbraw/zinc/96/35/67/884963567.db2.gz	OWKNBVVTILLYAP-HXUWFJFHSA-N	1	0	364.449	1.660	20	30		FDEDRO
C[C@H](CNc1ccc(C#N)cn1)NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1	ZINC001108154298	884983578	/nfs/dbraw/zinc/98/35/78/884983578.db2.gz	UWUKCBGUPYPHJO-BJZITVGISA-N	1	0	371.485	1.617	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCc1ccc(C[NH2+][C@H]2CCNC2=O)cc1	ZINC001034818477	885168478	/nfs/dbraw/zinc/16/84/78/885168478.db2.gz	HSGRALZPCXMKDN-SQNIBIBYSA-N	1	0	357.454	1.262	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)C[C@@H]2O)nc1	ZINC001083969830	912919460	/nfs/dbraw/zinc/91/94/60/912919460.db2.gz	WRADPHQOOBCGMA-UXHICEINSA-N	1	0	360.417	1.519	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001034960216	885352532	/nfs/dbraw/zinc/35/25/32/885352532.db2.gz	WEHUVOISBXIJCB-XCRHUMRWSA-N	1	0	361.417	1.582	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CCOC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000919316122	885551596	/nfs/dbraw/zinc/55/15/96/885551596.db2.gz	USWTVUKOLOEVQV-QGZVFWFLSA-N	1	0	364.467	1.891	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc3cc[nH]c3n2)[C@@H](n2ccnn2)C1	ZINC001129054754	885588175	/nfs/dbraw/zinc/58/81/75/885588175.db2.gz	MPQNRCGYLPVQFR-SJORKVTESA-N	1	0	365.441	1.776	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2ccnc2)[C@@H](n2ccnn2)C1	ZINC001129054689	885589067	/nfs/dbraw/zinc/58/90/67/885589067.db2.gz	JUSJQHQBPKLCDO-SQNIBIBYSA-N	1	0	369.473	1.127	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC(C)(C)C1	ZINC001089490747	885638934	/nfs/dbraw/zinc/63/89/34/885638934.db2.gz	CRVXJKQDCVHWQC-HRCADAONSA-N	1	0	351.491	1.592	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc(CC)nnc2C)[C@@H](n2ccnn2)C1	ZINC001129122287	885767213	/nfs/dbraw/zinc/76/72/13/885767213.db2.gz	IOQGCYAOHFQNQB-MSOLQXFVSA-N	1	0	369.473	1.560	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCC3(C2)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC3)cc1	ZINC001035227856	885776941	/nfs/dbraw/zinc/77/69/41/885776941.db2.gz	AOWCWJHUGLGIQP-MSOLQXFVSA-N	1	0	366.465	1.494	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCCC(=O)NC(C)C)C[C@H]1C	ZINC001106895030	885826597	/nfs/dbraw/zinc/82/65/97/885826597.db2.gz	BXGKGOZFRVTNFV-IAGOWNOFSA-N	1	0	351.491	1.015	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2coc(OC)n2)[C@@H](n2ccnn2)C1	ZINC001129133705	885830800	/nfs/dbraw/zinc/83/08/00/885830800.db2.gz	HPKOYLMXTBBLAI-GUTXKFCHSA-N	1	0	360.418	1.285	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2c(C)nn(C)c2C)[C@@H](n2ccnn2)C1	ZINC001129139058	885841374	/nfs/dbraw/zinc/84/13/74/885841374.db2.gz	DYTFLSMSMUKOBF-XYPHTWIQSA-N	1	0	371.489	1.638	20	30		FDEDRO
CN(c1cccc(C#N)c1)[C@@H]1CCN(S(=O)(=O)CCC[NH+](C)C)C1	ZINC000919627881	885941575	/nfs/dbraw/zinc/94/15/75/885941575.db2.gz	PBBNEAGGSOJVDN-QGZVFWFLSA-N	1	0	350.488	1.350	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)c2cc(C#N)ccn2)CC1	ZINC000498931058	886033804	/nfs/dbraw/zinc/03/38/04/886033804.db2.gz	QFAARGGWBOSXLU-UHFFFAOYSA-N	1	0	371.485	1.654	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC2CCOCC2)CCO1	ZINC001035542421	886132180	/nfs/dbraw/zinc/13/21/80/886132180.db2.gz	OPFRVWYFDBVNIN-SQNIBIBYSA-N	1	0	352.475	1.211	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2)C[C@H]1C	ZINC001106897082	886158792	/nfs/dbraw/zinc/15/87/92/886158792.db2.gz	ZIBMZFMDPGGKHG-OQIJWPOYSA-N	1	0	355.482	1.776	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@]2(F)CCOC2)[C@@H](n2ccnn2)C1	ZINC001129194422	886174920	/nfs/dbraw/zinc/17/49/20/886174920.db2.gz	DNPORZSOCHBHSC-RYRKJORJSA-N	1	0	365.453	1.495	20	30		FDEDRO
CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)CCCCC#N)C2)[C@@H]1C(C)C	ZINC000920294910	886872083	/nfs/dbraw/zinc/87/20/83/886872083.db2.gz	GZZGHJBKKGQMNN-NCOADZHNSA-N	1	0	357.520	1.469	20	30		FDEDRO
CN1CCN(Cc2ccccc2)[C@H](C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)C1	ZINC000694783938	886915367	/nfs/dbraw/zinc/91/53/67/886915367.db2.gz	XGRQAOJYOBTFHH-FGZHOGPDSA-N	1	0	364.493	1.997	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(C#N)cn2)CC[N@@H+]1C	ZINC001062046903	886937196	/nfs/dbraw/zinc/93/71/96/886937196.db2.gz	VDIAMIVJPDCGLB-XWTMOSNGSA-N	1	0	353.470	1.863	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2nccnc2C#N)CC[N@@H+]1C	ZINC001062046651	886937383	/nfs/dbraw/zinc/93/73/83/886937383.db2.gz	JEUXXCXUCLDQDB-QSJFSLAZSA-N	1	0	354.458	1.258	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CN(C)c3ccc(C#N)nc3)C2)CC[N@@H+]1C	ZINC001062185594	886956022	/nfs/dbraw/zinc/95/60/22/886956022.db2.gz	PXAKFAWMJLWNHJ-ZYSHUDEJSA-N	1	0	355.486	1.968	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC(CN(C)c3ccnc(C#N)n3)CC2)CC[N@@H+]1C	ZINC001062234885	886992377	/nfs/dbraw/zinc/99/23/77/886992377.db2.gz	SSEMQQSBZRXRQH-DLBZAZTESA-N	1	0	370.501	1.753	20	30		FDEDRO
C[C@H](Nc1ccn(C2CC[NH+](C)CC2)n1)C(=O)Nc1ccccc1C#N	ZINC000377503043	887593632	/nfs/dbraw/zinc/59/36/32/887593632.db2.gz	QFONMJFCBKRJKT-AWEZNQCLSA-N	1	0	352.442	2.461	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@@H](n2ccnn2)C1	ZINC001129279712	888137129	/nfs/dbraw/zinc/13/71/29/888137129.db2.gz	JXEOWMYGYSEDRS-VHSSKADRSA-N	1	0	369.473	1.889	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@H]1C	ZINC001106903396	888297426	/nfs/dbraw/zinc/29/74/26/888297426.db2.gz	PWBGHYMQAKNSAL-FRRDWIJNSA-N	1	0	361.408	1.397	20	30		FDEDRO
Cc1ccc(F)c(CC(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)c1	ZINC001106903244	888298740	/nfs/dbraw/zinc/29/87/40/888298740.db2.gz	CXXSYPKEXMZYFC-GDBMZVCRSA-N	1	0	360.433	1.001	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](CCCOCC)C[C@H]1OC	ZINC001212267929	888538185	/nfs/dbraw/zinc/53/81/85/888538185.db2.gz	IQWTWCPENIKZNM-QZTJIDSGSA-N	1	0	356.507	1.991	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@]2(C)CCOC2)C3)CC1	ZINC000999746651	913275895	/nfs/dbraw/zinc/27/58/95/913275895.db2.gz	DFHSNEOZQXBVPS-WKRCXCSHSA-N	1	0	373.497	1.006	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](CCc2cnn(CC)c2)CC1	ZINC001006022987	888759325	/nfs/dbraw/zinc/75/93/25/888759325.db2.gz	REUOZAZCNNCNMS-MOPGFXCFSA-N	1	0	360.502	1.959	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCO[C@H]1c1ccc(OC)nc1)C1CC[NH+](C)CC1	ZINC000923382959	889062968	/nfs/dbraw/zinc/06/29/68/889062968.db2.gz	OQINDRNFIPTQGX-MJGOQNOKSA-N	1	0	372.469	1.659	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1	ZINC000946898853	889223082	/nfs/dbraw/zinc/22/30/82/889223082.db2.gz	AKPPFPQUOSOYLZ-KURKYZTESA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CCn1cnc2ccccc2c1=O	ZINC001127604267	889489954	/nfs/dbraw/zinc/48/99/54/889489954.db2.gz	CARMNUUVIUVQKH-AEFFLSMTSA-N	1	0	370.453	1.084	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)cc1	ZINC000999788885	913352095	/nfs/dbraw/zinc/35/20/95/913352095.db2.gz	GVPWGISILNBAPO-ZGXWSNOMSA-N	1	0	369.465	1.690	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(CC)C1CCCCC1	ZINC001127608736	889725212	/nfs/dbraw/zinc/72/52/12/889725212.db2.gz	FALHTYFPTPWWEP-MSOLQXFVSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)[C@H](OC)C1	ZINC001212293505	889823450	/nfs/dbraw/zinc/82/34/50/889823450.db2.gz	SVJPWILJEWQMEV-NCXUSEDFSA-N	1	0	372.513	1.936	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCc2ccccc2C1	ZINC001127613190	889944459	/nfs/dbraw/zinc/94/44/59/889944459.db2.gz	UNIXYKWSKAVRCI-MOPGFXCFSA-N	1	0	371.481	1.258	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1CN(C(=O)C2CC[NH+](C)CC2)C1	ZINC001006168302	889951673	/nfs/dbraw/zinc/95/16/73/889951673.db2.gz	YYHUKXKSPUEUGH-WBAXXEDZSA-N	1	0	363.502	1.273	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)Cc2ccc(NC(=O)NCCC)cc2)C1	ZINC000923582028	889970757	/nfs/dbraw/zinc/97/07/57/889970757.db2.gz	GTIDCUJSEXEPFL-GOSISDBHSA-N	1	0	356.470	1.974	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnoc2CC)[C@@H](n2ccnn2)C1	ZINC001129289392	890070562	/nfs/dbraw/zinc/07/05/62/890070562.db2.gz	YAEAOAXXHBIGEW-IMJJTQAJSA-N	1	0	358.446	1.839	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cn(CC)nc2C)[C@@H](n2ccnn2)C1	ZINC001129288646	890074354	/nfs/dbraw/zinc/07/43/54/890074354.db2.gz	HGRJCFNRQGBCOY-OLMNPRSZSA-N	1	0	371.489	1.813	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)NCC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCC1	ZINC001062870527	890081714	/nfs/dbraw/zinc/08/17/14/890081714.db2.gz	GKYHPCFFDVPZHL-HDMKZQKVSA-N	1	0	351.491	1.199	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](CCNc3ccnc(C#N)n3)C2)CC[N@@H+]1C	ZINC001063301823	890427821	/nfs/dbraw/zinc/42/78/21/890427821.db2.gz	FCAQRUDOEYIPLJ-IXDOHACOSA-N	1	0	370.501	1.541	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CCNc3ccnc(C#N)n3)C2)CC[N@@H+]1C	ZINC001063302308	890429276	/nfs/dbraw/zinc/42/92/76/890429276.db2.gz	UMYRFUWYAGIONM-OWCLPIDISA-N	1	0	356.474	1.151	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3CCC)CCC2)CC1	ZINC001063341070	890474688	/nfs/dbraw/zinc/47/46/88/890474688.db2.gz	HQDFDTNORMPRCY-QZTJIDSGSA-N	1	0	359.514	1.923	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](N(C)C(=O)CC[NH+](C)C)CC1	ZINC001079068959	890492099	/nfs/dbraw/zinc/49/20/99/890492099.db2.gz	VOTAOZBEXPLKOL-AOIWGVFYSA-N	1	0	365.518	1.759	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC([C@@H](C)NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cc1	ZINC001006179941	890522149	/nfs/dbraw/zinc/52/21/49/890522149.db2.gz	RFJIFJPEHUKWDQ-UIAACRFSSA-N	1	0	367.493	1.975	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCCO2)C[C@H]1OC	ZINC001212344745	891025197	/nfs/dbraw/zinc/02/51/97/891025197.db2.gz	KVVSLQWHUNJHDZ-RCCFBDPRSA-N	1	0	354.491	1.744	20	30		FDEDRO
COc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2ccncc2)cc1C#N	ZINC001127648263	891311617	/nfs/dbraw/zinc/31/16/17/891311617.db2.gz	MFYGKUKPEJYYHX-ZWKOTPCHSA-N	1	0	350.422	1.971	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(C#N)c[nH]2)C3)CC1	ZINC001001888549	891565876	/nfs/dbraw/zinc/56/58/76/891565876.db2.gz	GRPKQZYRFBVZFD-NUJGCVRESA-N	1	0	369.469	1.480	20	30		FDEDRO
CC[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(OCC#N)cc2)C1	ZINC001031865612	891636641	/nfs/dbraw/zinc/63/66/41/891636641.db2.gz	AAPQWJXXUWIMJY-MOPGFXCFSA-N	1	0	357.454	1.952	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(C#N)[nH]2)C3)CC[N@@H+]1C	ZINC001002090857	891914267	/nfs/dbraw/zinc/91/42/67/891914267.db2.gz	QGRGLWIJSVBJHN-RYECPLHJSA-N	1	0	355.442	1.088	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2ccnn2CCOC)[C@H](OC)C1	ZINC001212444380	891933983	/nfs/dbraw/zinc/93/39/83/891933983.db2.gz	VJLREAXWIRFDJU-SJLPKXTDSA-N	1	0	364.490	1.705	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CC(C)(C)CO2)C[C@H]1C	ZINC001106919775	892468140	/nfs/dbraw/zinc/46/81/40/892468140.db2.gz	BSCATGHXUHFNSX-KZNAEPCWSA-N	1	0	350.503	1.916	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1coc(C3CC3)n1)C2	ZINC001112541404	892578807	/nfs/dbraw/zinc/57/88/07/892578807.db2.gz	VPOGHFYCCZEPPU-LIRRHRJNSA-N	1	0	371.441	1.024	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccc(N3CCOC3=O)cc2)CC1	ZINC000921901274	892659926	/nfs/dbraw/zinc/65/99/26/892659926.db2.gz	PZUFAIXOJIJHJR-UHFFFAOYSA-N	1	0	356.426	1.540	20	30		FDEDRO
Cc1csc(Cl)c1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106926177	892772756	/nfs/dbraw/zinc/77/27/56/892772756.db2.gz	RFLPPDZYUPSGOJ-ZYHUDNBSSA-N	1	0	368.890	1.647	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1cccc(OCC#N)c1)C[NH+]1CCCCC1	ZINC000265787766	892949880	/nfs/dbraw/zinc/94/98/80/892949880.db2.gz	HZSXOOWYNYEPKQ-HNNXBMFYSA-N	1	0	358.442	1.766	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2sc(C)cc2C)C[C@H]1C	ZINC001106933205	893036133	/nfs/dbraw/zinc/03/61/33/893036133.db2.gz	HXXWMVXHCVNBPY-GDBMZVCRSA-N	1	0	363.527	1.894	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1	ZINC000940739833	893060815	/nfs/dbraw/zinc/06/08/15/893060815.db2.gz	QSZIOYBMYCFAHJ-ZACQAIPSSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000940764560	893089642	/nfs/dbraw/zinc/08/96/42/893089642.db2.gz	DBNRTLJQFZUKTJ-SZVBFZGTSA-N	1	0	371.481	1.922	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1	ZINC001002604157	893374716	/nfs/dbraw/zinc/37/47/16/893374716.db2.gz	XRBGHFUCRKJJDN-ZACQAIPSSA-N	1	0	363.502	1.511	20	30		FDEDRO
N#Cc1ncn(CC(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)n1	ZINC000921964681	893574405	/nfs/dbraw/zinc/57/44/05/893574405.db2.gz	SIJLSLJIQYFRQH-INIZCTEOSA-N	1	0	351.414	1.073	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000672637347	894345896	/nfs/dbraw/zinc/34/58/96/894345896.db2.gz	FGRQGNCNYNXGNJ-HZPDHXFCSA-N	1	0	350.507	1.132	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)c(C(=O)OC)c1	ZINC000922024208	894407153	/nfs/dbraw/zinc/40/71/53/894407153.db2.gz	NHBPHBQGUZPDMP-UHFFFAOYSA-N	1	0	368.430	1.330	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(Cl)nc2sccn21	ZINC000922023957	894432273	/nfs/dbraw/zinc/43/22/73/894432273.db2.gz	NBVUWLTVRGYBBW-UHFFFAOYSA-N	1	0	372.903	1.767	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC2CCC(O)(c3cccnc3)CC2)CC1	ZINC000922026210	894539922	/nfs/dbraw/zinc/53/99/22/894539922.db2.gz	RGIWWMDBLRSSMM-UHFFFAOYSA-N	1	0	356.470	1.609	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+]([C@H]2CCN(C(C)C)C2=O)CC1	ZINC001002845925	894579309	/nfs/dbraw/zinc/57/93/09/894579309.db2.gz	AEGRPVCTWBWMQK-SQNIBIBYSA-N	1	0	363.502	1.558	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](OC)C1	ZINC000941906766	895979454	/nfs/dbraw/zinc/97/94/54/895979454.db2.gz	XRTBYPQSGQMZKT-HZPDHXFCSA-N	1	0	365.518	1.805	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@H]1C	ZINC001106963480	896103905	/nfs/dbraw/zinc/10/39/05/896103905.db2.gz	JRNJLYYGNKTARK-FGTMMUONSA-N	1	0	369.509	1.786	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)[C@H]3CCCC[N@H+]3CC)[C@H](OC)C2)C1	ZINC000942132778	896459637	/nfs/dbraw/zinc/45/96/37/896459637.db2.gz	CCSNCHGOIPBKBB-BRWVUGGUSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)CC2(CCOCC2)C1	ZINC001089948493	896823111	/nfs/dbraw/zinc/82/31/11/896823111.db2.gz	WVNLHMZXGYIBMA-GVDBMIGSSA-N	1	0	358.486	1.697	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(CC#Cc3ccccc3)C[C@H]2O)CC1	ZINC001077928103	896929241	/nfs/dbraw/zinc/92/92/41/896929241.db2.gz	WZBQARABTCRKDL-NHCUHLMSSA-N	1	0	369.509	1.320	20	30		FDEDRO
O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@H]2CCN(CC#Cc3ccccc3)C[C@H]21	ZINC001084349287	914135289	/nfs/dbraw/zinc/13/52/89/914135289.db2.gz	GBLQIQXMSIHCRC-BHIFYINESA-N	1	0	363.505	1.913	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2-n2cnnn2)C[C@H]1C	ZINC001106970889	897210987	/nfs/dbraw/zinc/21/09/87/897210987.db2.gz	ZAYZIZICGYSITI-TZMCWYRMSA-N	1	0	360.849	1.713	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H](C1CC1)[NH+]1CCCC1	ZINC000273646230	897217332	/nfs/dbraw/zinc/21/73/32/897217332.db2.gz	GAYGTTBYOJKXNX-YOEHRIQHSA-N	1	0	354.458	1.260	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1	ZINC000942548344	897317207	/nfs/dbraw/zinc/31/72/07/897317207.db2.gz	UKWYYFDWTNPPCO-HZPDHXFCSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=CCC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@H]3OCC[C@H]3C)C2)n1	ZINC001128119756	897320001	/nfs/dbraw/zinc/32/00/01/897320001.db2.gz	ZIBFFQOPBDXSEW-AYBZRNKSSA-N	1	0	358.486	1.867	20	30		FDEDRO
CCN1C[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)CC1=O	ZINC001084385747	914148473	/nfs/dbraw/zinc/14/84/73/914148473.db2.gz	PDSRSVMCFWCYDF-GUDVDZBRSA-N	1	0	366.465	1.459	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)CC1	ZINC000921721412	897332008	/nfs/dbraw/zinc/33/20/08/897332008.db2.gz	IBKKWOOJLFICTD-INIZCTEOSA-N	1	0	364.490	1.687	20	30		FDEDRO
C=CCC[N@H+]1C[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC2(CCOCC2)C1	ZINC001089960047	897333457	/nfs/dbraw/zinc/33/34/57/897333457.db2.gz	WZOVCWGYBMOQGO-IXDOHACOSA-N	1	0	363.502	1.274	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)[C@H](OC)C2)cc1	ZINC000942596288	897500242	/nfs/dbraw/zinc/50/02/42/897500242.db2.gz	YAWFEYIAYNRMOL-CEXWTWQISA-N	1	0	369.465	1.108	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1	ZINC000995266720	897631190	/nfs/dbraw/zinc/63/11/90/897631190.db2.gz	MBTWWVSBPHLNLH-NZSAHSFTSA-N	1	0	370.497	1.833	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCCc3ccc(C)cc3)C[C@H]2O)nc1	ZINC001078030215	897666683	/nfs/dbraw/zinc/66/66/83/897666683.db2.gz	NIRXEVNJSWGYNX-NHCUHLMSSA-N	1	0	363.461	1.779	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCCc3cccc(C)c3)C[C@H]2O)cn1	ZINC001078032646	897679101	/nfs/dbraw/zinc/67/91/01/897679101.db2.gz	YWRSXXBEGZSDDE-NHCUHLMSSA-N	1	0	363.461	1.779	20	30		FDEDRO
N#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2N(C(=O)C[NH+]2CCCC2)CC3)[nH]1	ZINC000995283738	897836793	/nfs/dbraw/zinc/83/67/93/897836793.db2.gz	SMEKUVUQBAQFEK-YLJYHZDGSA-N	1	0	369.469	1.483	20	30		FDEDRO
CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1	ZINC000942814797	897901779	/nfs/dbraw/zinc/90/17/79/897901779.db2.gz	UCBCIBJCIBYFMX-XOKHGSTOSA-N	1	0	357.458	1.290	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000943285297	898618102	/nfs/dbraw/zinc/61/81/02/898618102.db2.gz	MJOMHXOVRMJFHD-BPQIPLTHSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cnoc2C)C1	ZINC001078402762	898735882	/nfs/dbraw/zinc/73/58/82/898735882.db2.gz	XKORTTJTMGSMBM-KURKYZTESA-N	1	0	363.458	1.671	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cncc(C)c2)C1	ZINC001078472030	898799927	/nfs/dbraw/zinc/79/99/27/898799927.db2.gz	MCZBINPDNFGNCE-OTWHNJEPSA-N	1	0	359.470	1.688	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2nc(C)cs2)C1	ZINC001078472097	898800369	/nfs/dbraw/zinc/80/03/69/898800369.db2.gz	NQSJZJDGPVKMAB-XHSDSOJGSA-N	1	0	365.499	1.750	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCn2cccn2)C[C@H]1C	ZINC001107000126	898929092	/nfs/dbraw/zinc/92/90/92/898929092.db2.gz	GIFZJILVPZARQN-BRWVUGGUSA-N	1	0	361.490	1.038	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H](C)CCNC(=O)OC(C)(C)C)CC1	ZINC000921837128	898992505	/nfs/dbraw/zinc/99/25/05/898992505.db2.gz	CVWNAONZPLLOPP-CQSZACIVSA-N	1	0	352.479	1.687	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H](NC(=O)[C@@H]3C[C@H]3CC)C2)CC1	ZINC000943556431	899011085	/nfs/dbraw/zinc/01/10/85/899011085.db2.gz	RVESWSXKWCXXHJ-BHIYHBOVSA-N	1	0	359.514	1.875	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCN(C)C2=O)[C@H](OC)C1	ZINC001212442601	899114984	/nfs/dbraw/zinc/11/49/84/899114984.db2.gz	RCEQIJOGAUSVPA-BRWVUGGUSA-N	1	0	351.491	1.417	20	30		FDEDRO
CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C	ZINC001107016795	899552048	/nfs/dbraw/zinc/55/20/48/899552048.db2.gz	FYACRVXZQZOBEW-IEBWSBKVSA-N	1	0	355.482	1.637	20	30		FDEDRO
C[C@@H]1CN(C(=O)CNC(=O)C2CCC2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001107030934	899650195	/nfs/dbraw/zinc/65/01/95/899650195.db2.gz	DCIMSOWRAZPGNF-DNVCBOLYSA-N	1	0	368.481	1.659	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](C[C@@H](O)c3ccccc3)C[C@H]21	ZINC001084417795	914378904	/nfs/dbraw/zinc/37/89/04/914378904.db2.gz	FQOZAVAEZAEZOC-PLACYPQZSA-N	1	0	367.493	1.350	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C	ZINC000944185094	899957147	/nfs/dbraw/zinc/95/71/47/899957147.db2.gz	VAOPMUACZYCODV-XDNAFOTISA-N	1	0	363.502	1.559	20	30		FDEDRO
CCS(=O)(=O)CC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1	ZINC001107035473	899986190	/nfs/dbraw/zinc/98/61/90/899986190.db2.gz	ILUXARVOCMEXOW-SJLPKXTDSA-N	1	0	362.495	1.157	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C[NH2+]C/C=C\Cl)[C@H](C)C1	ZINC001107036698	900002071	/nfs/dbraw/zinc/00/20/71/900002071.db2.gz	PSXRCLOAFUSTDJ-YOIVVXPQSA-N	1	0	356.898	1.687	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(C)nn(C)c3n2)C[C@H]1C	ZINC001107039785	900076466	/nfs/dbraw/zinc/07/64/66/900076466.db2.gz	YUSYQEAOVCDPBD-GDBMZVCRSA-N	1	0	369.469	1.224	20	30		FDEDRO
CCOc1cccc(CC(=O)N2C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C2)c1	ZINC001107044589	900087525	/nfs/dbraw/zinc/08/75/25/900087525.db2.gz	IJDXTWBFDABLTP-IEBWSBKVSA-N	1	0	358.482	1.962	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C(C)C)s2)C[C@H]1C	ZINC001107052078	900145775	/nfs/dbraw/zinc/14/57/75/900145775.db2.gz	XWIJRZHXFACIMX-HUUCEWRRSA-N	1	0	361.511	1.919	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]c3ncccc23)C[C@H]1C	ZINC001107050218	900176507	/nfs/dbraw/zinc/17/65/07/900176507.db2.gz	MQSLPXHOXOKSME-NVXWUHKLSA-N	1	0	354.454	1.439	20	30		FDEDRO
C[C@@H]1CN(C(=O)C23CC(C(C)(C)C)(C2)C3)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001107054371	900204291	/nfs/dbraw/zinc/20/42/91/900204291.db2.gz	MYUWUDONNGFLCD-SNEKZUEESA-N	1	0	360.502	1.527	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C(C)C)C(C)C)[C@H](C)C1	ZINC001107059079	900308694	/nfs/dbraw/zinc/30/86/94/900308694.db2.gz	QJFLQWBCNVRIII-QZTJIDSGSA-N	1	0	367.534	1.909	20	30		FDEDRO
Cc1cc(OCC(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)no1	ZINC001084424724	914436767	/nfs/dbraw/zinc/43/67/67/914436767.db2.gz	OMGMZYOFSSJOPJ-QZTJIDSGSA-N	1	0	366.421	1.966	20	30		FDEDRO
C=C1CCC(C(=O)N2CCO[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1	ZINC000944617115	900371937	/nfs/dbraw/zinc/37/19/37/900371937.db2.gz	UAHJSRVVWBECGG-BPQIPLTHSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C(C)(C)C)[C@H](C)C1	ZINC001107062180	900442242	/nfs/dbraw/zinc/44/22/42/900442242.db2.gz	BUDJPBBIZNPKPJ-QLFBSQMISA-N	1	0	364.494	1.203	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+][C@H]2CCN(C(C)C)C2=O)[C@H](C)C1	ZINC001107065079	900453570	/nfs/dbraw/zinc/45/35/70/900453570.db2.gz	FFHUPTWIBOBKHH-ZACQAIPSSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COCC(C)C)[C@H](C)C1	ZINC001107065177	900454956	/nfs/dbraw/zinc/45/49/56/900454956.db2.gz	IXMHNFYBWRJNHK-KZNAEPCWSA-N	1	0	356.507	1.297	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CCCCCn2cncn2)[C@H](C)C1	ZINC001107065522	900455981	/nfs/dbraw/zinc/45/59/81/900455981.db2.gz	QXKSQRDDXVCJEI-KZNAEPCWSA-N	1	0	363.506	1.724	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCC1	ZINC001063850100	901166097	/nfs/dbraw/zinc/16/60/97/901166097.db2.gz	ZYUSOTGGTCWXNQ-IXDOHACOSA-N	1	0	365.518	1.709	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)CC(=O)N(C)C)[C@@H](n2ccnn2)C1	ZINC001129312903	901278311	/nfs/dbraw/zinc/27/83/11/901278311.db2.gz	QSWZFQJONQKBRB-CVEARBPZSA-N	1	0	364.494	1.068	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCO[C@H]2C(=C)C)[C@@H](n2ccnn2)C1	ZINC001129313083	901281257	/nfs/dbraw/zinc/28/12/57/901281257.db2.gz	WVPQWZFJILBFHY-MHORFTMASA-N	1	0	359.474	1.567	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2cn[nH]c2)[C@@H](n2ccnn2)C1	ZINC001129315440	901296437	/nfs/dbraw/zinc/29/64/37/901296437.db2.gz	CJLYUTRIBHETLF-MSOLQXFVSA-N	1	0	371.489	1.722	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(C[C@@H](CC)[N@@H+]2CCc3ccccc3C2)C1=O	ZINC000348422450	901310899	/nfs/dbraw/zinc/31/08/99/901310899.db2.gz	FLUKJLCRARKUJO-QZTJIDSGSA-N	1	0	357.454	1.946	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NC(=O)CC[N@@H+](C)CCC)CCC1	ZINC001064583871	901432253	/nfs/dbraw/zinc/43/22/53/901432253.db2.gz	RBRUYDAOKYRBQI-CVEARBPZSA-N	1	0	351.491	1.465	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CCN(c4ccc(C#N)nn4)C3)C2)CC[N@@H+]1C	ZINC001064650398	901521427	/nfs/dbraw/zinc/52/14/27/901521427.db2.gz	XMPAHJBREOKUKN-IDHHARJASA-N	1	0	354.458	1.117	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2nocc2C)C3)CC1	ZINC001006193840	901558590	/nfs/dbraw/zinc/55/85/90/901558590.db2.gz	UZMUWFAELSWMER-ZACQAIPSSA-N	1	0	370.453	1.190	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNc2cc(C)ncc2C#N)CC[N@@H+]1C	ZINC001065033457	901799102	/nfs/dbraw/zinc/79/91/02/901799102.db2.gz	KBEIKBDNYNUDFP-JENIJYKNSA-N	1	0	355.486	1.817	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cn(C)cn2)C1	ZINC001079132660	901946713	/nfs/dbraw/zinc/94/67/13/901946713.db2.gz	ZPLOTFHKIWOLHH-RTBURBONSA-N	1	0	354.454	1.684	20	30		FDEDRO
N#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@]23CC[N@H+](C2)CCC3)C1	ZINC001079147067	901972045	/nfs/dbraw/zinc/97/20/45/901972045.db2.gz	VDRQCVCWKQLFRG-SBHAEUEKSA-N	1	0	368.481	1.070	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nnn(C)c2C)CC[C@H]1c1ccc(F)cc1	ZINC001079149755	901980834	/nfs/dbraw/zinc/98/08/34/901980834.db2.gz	JINPFCVKRNPEIF-DLBZAZTESA-N	1	0	355.417	1.484	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccc(F)cn2)C1	ZINC001079133364	901991376	/nfs/dbraw/zinc/99/13/76/901991376.db2.gz	CPQUEIRREFCGSM-WOJBJXKFSA-N	1	0	367.424	1.932	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC(=O)NC2)C1	ZINC001079137914	902014171	/nfs/dbraw/zinc/01/41/71/902014171.db2.gz	BSCPSINHWZMKBS-IPMKNSEASA-N	1	0	371.481	1.163	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2coc(OC)n2)C1	ZINC001079139317	902022201	/nfs/dbraw/zinc/02/22/01/902022201.db2.gz	MPHQHDNBQAXDLT-QZTJIDSGSA-N	1	0	371.437	1.947	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2c(C)cnn2C)C1	ZINC001079141756	902034235	/nfs/dbraw/zinc/03/42/35/902034235.db2.gz	WUTSAWOXCARDMO-RTBURBONSA-N	1	0	368.481	1.992	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCN(C)C2=O)C1	ZINC001079141798	902035514	/nfs/dbraw/zinc/03/55/14/902035514.db2.gz	ZCFKXMNRNFUMTF-GUDVDZBRSA-N	1	0	371.481	1.115	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1c1cccc(F)c1	ZINC001079171081	902047078	/nfs/dbraw/zinc/04/70/78/902047078.db2.gz	QRFVHQRFPWEVAE-ZWKOTPCHSA-N	1	0	359.445	1.908	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCNC2=O)CC[C@H]1c1ccc(F)cc1	ZINC001079154507	902068628	/nfs/dbraw/zinc/06/86/28/902068628.db2.gz	HBVVAUJLVITMPU-OKZBNKHCSA-N	1	0	359.445	1.812	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)CC[C@H]1c1ccc(F)cc1	ZINC001079155443	902071154	/nfs/dbraw/zinc/07/11/54/902071154.db2.gz	AHJXXNNCYCPOAJ-SQGPQFPESA-N	1	0	359.445	1.812	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C(=O)N(C)CCC#N	ZINC000901726754	902074266	/nfs/dbraw/zinc/07/42/66/902074266.db2.gz	ALXZQPVPIVOPKU-GHMZBOCLSA-N	1	0	354.252	1.311	20	30		FDEDRO
C=CCCC(=O)NCCCCC[NH+]1CCN(C(=O)[C@H]2OCC[C@H]2C)CC1	ZINC001079158434	902079429	/nfs/dbraw/zinc/07/94/29/902079429.db2.gz	IEKXCGKFRNDUGG-MJGOQNOKSA-N	1	0	365.518	1.808	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc(OC)nc2)CC[C@H]1c1ccc(F)cc1	ZINC001079161594	902086638	/nfs/dbraw/zinc/08/66/38/902086638.db2.gz	YNQCXIRAMHDCAZ-ZWKOTPCHSA-N	1	0	368.412	1.845	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2cn(C)nn2)CC[C@H]1c1ccc(F)cc1	ZINC001079162392	902088589	/nfs/dbraw/zinc/08/85/89/902088589.db2.gz	JNWNJRQSFJOBGI-RBUKOAKNSA-N	1	0	369.444	1.494	20	30		FDEDRO
C#CC[NH+]1CCC(N2C(=O)N[C@H]3CN(C(=O)[C@@H]4C[C@H]4C4CC4)CC[C@@H]32)CC1	ZINC001079165177	902093302	/nfs/dbraw/zinc/09/33/02/902093302.db2.gz	IEMSFMVJJFREOZ-RDGPPVDQSA-N	1	0	370.497	1.125	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)CC)C[C@H]2c2cccc(F)c2)C1=O	ZINC001079165307	902093535	/nfs/dbraw/zinc/09/35/35/902093535.db2.gz	NDRIUGDUWRRLEU-OKZBNKHCSA-N	1	0	359.445	1.907	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1c1cccc(F)c1	ZINC001079198829	902099621	/nfs/dbraw/zinc/09/96/21/902099621.db2.gz	URQQGIIRXBVODY-MXSMSXNCSA-N	1	0	359.445	1.797	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3nc[nH]c3C2)C[C@H]1c1cccc(F)c1	ZINC001079206126	902111084	/nfs/dbraw/zinc/11/10/84/902111084.db2.gz	XRDUXTYBBREEOX-OXFYSEKESA-N	1	0	366.440	1.871	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2C)C[C@H]1c1cccc(F)c1	ZINC001079208119	902115777	/nfs/dbraw/zinc/11/57/77/902115777.db2.gz	JUXIQUVEIUMKLD-RCCFBDPRSA-N	1	0	359.445	1.907	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCS2(=O)=O)C[C@H]1c1cccc(F)c1	ZINC001079210803	902118964	/nfs/dbraw/zinc/11/89/64/902118964.db2.gz	BHKWDUXWDRZDFS-GVDBMIGSSA-N	1	0	366.458	1.473	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(OC)ncn2)C[C@H]1c1cccc(F)c1	ZINC001079183814	902126733	/nfs/dbraw/zinc/12/67/33/902126733.db2.gz	VWKBOQAWXGTPGR-DOTOQJQBSA-N	1	0	354.385	1.455	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC)C2)C[C@H]1c1cccc(F)c1	ZINC001079186141	902130366	/nfs/dbraw/zinc/13/03/66/902130366.db2.gz	BQNYYIUQMWNZQR-RYQLBKOJSA-N	1	0	359.445	1.764	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3ccnc3C2)C[C@H]1c1cccc(F)c1	ZINC001079188488	902137076	/nfs/dbraw/zinc/13/70/76/902137076.db2.gz	BEKODYDFPVIQAR-NZSAHSFTSA-N	1	0	366.440	1.802	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1c1cccc(F)c1	ZINC001079189092	902140091	/nfs/dbraw/zinc/14/00/91/902140091.db2.gz	DXGFFDLRZSUNQE-ZWKOTPCHSA-N	1	0	355.413	1.908	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CC=CCC2)C3)CC1	ZINC000995743556	902144188	/nfs/dbraw/zinc/14/41/88/902144188.db2.gz	CXEHZWVLPGVOOA-RNQOJCNYSA-N	1	0	369.509	1.936	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cc(CC)nn2C)C[C@H]1c1cccc(F)c1	ZINC001079191371	902147791	/nfs/dbraw/zinc/14/77/91/902147791.db2.gz	LXPUMAAGLNITNX-VQTJNVASSA-N	1	0	368.456	1.882	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(C)nc[nH]c2=O)C[C@H]1c1cccc(F)c1	ZINC001079195104	902156197	/nfs/dbraw/zinc/15/61/97/902156197.db2.gz	DJQSICUJNJCRAK-JKSUJKDBSA-N	1	0	354.385	1.461	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CN(CC)CCO2)C[C@H]1c1cccc(F)c1	ZINC001079211232	902163883	/nfs/dbraw/zinc/16/38/83/902163883.db2.gz	XQKDPOCWFPQUBJ-IPMKNSEASA-N	1	0	361.461	1.616	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)C[C@](C)(O)C3CC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079235873	902175698	/nfs/dbraw/zinc/17/56/98/902175698.db2.gz	WKUKHYPFPUSSMN-NSHGMRRFSA-N	1	0	360.498	1.500	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)Cc3nnc(C)o3)[C@@H]3COC[C@@H]32)CC1	ZINC001079239384	902185642	/nfs/dbraw/zinc/18/56/42/902185642.db2.gz	PSHYIJKUSMSHDW-JKSUJKDBSA-N	1	0	360.458	1.436	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC2(CCN(CC#N)CC2)[C@H]2COC[C@H]21	ZINC001079240781	902190488	/nfs/dbraw/zinc/19/04/88/902190488.db2.gz	CBYUKJIAOQIEDZ-RCCFBDPRSA-N	1	0	360.502	1.322	20	30		FDEDRO
Cc1ncoc1C[NH+]1CCC2(CN(C(=O)C#CC3CC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079241463	902193866	/nfs/dbraw/zinc/19/38/66/902193866.db2.gz	YLXKXWNGAZCLME-ZWKOTPCHSA-N	1	0	369.465	1.836	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc(C)nc(C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079242096	902224719	/nfs/dbraw/zinc/22/47/19/902224719.db2.gz	PVFAJASTQAYXCE-RBUKOAKNSA-N	1	0	353.466	1.885	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3OCC[C@H]3CC)[C@@H]3COC[C@@H]32)CC1	ZINC001079246009	902256738	/nfs/dbraw/zinc/25/67/38/902256738.db2.gz	OUHCQHPSDVDIFD-HCXYKTFWSA-N	1	0	360.498	1.764	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cncc4[nH]ccc43)[C@@H]3COC[C@@H]32)CC1	ZINC001079250000	902267147	/nfs/dbraw/zinc/26/71/47/902267147.db2.gz	GFKDVGVQFFKLGY-PKOBYXMFSA-N	1	0	364.449	1.749	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3n[nH]c4c3CCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079250334	902269298	/nfs/dbraw/zinc/26/92/98/902269298.db2.gz	YOMQQRYJSOEFHZ-DOTOQJQBSA-N	1	0	356.470	1.637	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3ccnnc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079250283	902269801	/nfs/dbraw/zinc/26/98/01/902269801.db2.gz	WFZCCCYGGXNANM-ZWKOTPCHSA-N	1	0	356.470	1.914	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3ccc(OC)nc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079251371	902273557	/nfs/dbraw/zinc/27/35/57/902273557.db2.gz	SXZWYIXUPWNIHE-DLBZAZTESA-N	1	0	357.454	1.829	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)C[C@H]3CCC(=O)N3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079254681	902281028	/nfs/dbraw/zinc/28/10/28/902281028.db2.gz	PAIWEJZKEOAARD-IXDOHACOSA-N	1	0	361.486	1.123	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)Cc3ccc(C)nc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079273715	902293661	/nfs/dbraw/zinc/29/36/61/902293661.db2.gz	NFKKSKAMVZWGJU-VQTJNVASSA-N	1	0	367.493	1.895	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cc(C(N)=O)co3)[C@@H]3COC[C@@H]32)CC1	ZINC001079259911	902296285	/nfs/dbraw/zinc/29/62/85/902296285.db2.gz	UUDMIJBOMOEGAW-LSDHHAIUSA-N	1	0	359.426	1.118	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCc4nc[nH]c43)[C@@H]3COC[C@@H]32)CC1	ZINC001079260934	902300763	/nfs/dbraw/zinc/30/07/63/902300763.db2.gz	XDEWTIYRSHCLRE-SOLBZPMBSA-N	1	0	368.481	1.402	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)Cn3nccc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079264074	902308724	/nfs/dbraw/zinc/30/87/24/902308724.db2.gz	YFWRAQMLXLVPCR-ZWKOTPCHSA-N	1	0	358.486	1.707	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC3(CC[NH+](CCOC)CC3)[C@H]3COC[C@H]32)cn1	ZINC001079270129	902326969	/nfs/dbraw/zinc/32/69/69/902326969.db2.gz	CIJRMNBWKVTXMB-RBUKOAKNSA-N	1	0	369.465	1.262	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1c1ccccc1F	ZINC001079300290	902345176	/nfs/dbraw/zinc/34/51/76/902345176.db2.gz	AFGKAIMHQKOHNJ-UWWQBHOKSA-N	1	0	359.445	1.812	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C2CCC(C(N)=O)CC2)C[C@H]1c1ccccc1F	ZINC001079300550	902346039	/nfs/dbraw/zinc/34/60/39/902346039.db2.gz	NMMFLESBTCALJV-YXGQEBDGSA-N	1	0	371.456	1.635	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCc4c[nH]nc4C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079274142	902355231	/nfs/dbraw/zinc/35/52/31/902355231.db2.gz	JDMKYQYQKFXMES-VDZJLULYSA-N	1	0	370.497	1.640	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccn3nnnc23)C[C@H]1c1ccccc1F	ZINC001079296847	902401767	/nfs/dbraw/zinc/40/17/67/902401767.db2.gz	UIIRFRCAYPWTSC-DOTOQJQBSA-N	1	0	364.384	1.094	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@]2(CC)CCNC2=O)C[C@H]1c1ccccc1F	ZINC001079298970	902407677	/nfs/dbraw/zinc/40/76/77/902407677.db2.gz	PRHGDMYNHCLZEA-VPWXQRGCSA-N	1	0	359.445	1.812	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)C[C@H]1c1ccccc1F	ZINC001079316048	902412010	/nfs/dbraw/zinc/41/20/10/902412010.db2.gz	UDEJXAKLHJIOHA-UWWQBHOKSA-N	1	0	359.445	1.955	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3n[nH]cc3C2)C[C@H]1c1ccccc1F	ZINC001079318408	902417520	/nfs/dbraw/zinc/41/75/20/902417520.db2.gz	BNHZTXJZMZPTMF-CFLQYTFWSA-N	1	0	366.440	1.871	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2OC)C[C@H]1c1ccccc1F	ZINC001079319871	902420482	/nfs/dbraw/zinc/42/04/82/902420482.db2.gz	ULDQLOPQVLEDAR-DOTOQJQBSA-N	1	0	356.401	1.399	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cn2cc(Cl)cn2)C[C@H]1c1ccccc1F	ZINC001079313623	902449013	/nfs/dbraw/zinc/44/90/13/902449013.db2.gz	MJBWJHHKQVLDMC-DOTOQJQBSA-N	1	0	360.820	1.893	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1c1ccccc1F	ZINC001079312589	902449086	/nfs/dbraw/zinc/44/90/86/902449086.db2.gz	ZNBWJQZHCUQIGN-YQYZPQCESA-N	1	0	359.445	1.797	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21	ZINC001084409224	914637337	/nfs/dbraw/zinc/63/73/37/914637337.db2.gz	PTPOHTSELLQRRG-YQVWRLOYSA-N	1	0	370.497	1.737	20	30		FDEDRO
C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1C)n1cccn1	ZINC001079439154	902603933	/nfs/dbraw/zinc/60/39/33/902603933.db2.gz	VEHGPCXPQFLRIR-JTDSTZFVSA-N	1	0	367.453	1.983	20	30		FDEDRO
CC[C@H]1CCCCN1C(=O)CN1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1	ZINC001079540892	902775541	/nfs/dbraw/zinc/77/55/41/902775541.db2.gz	ZKZKUYRMHNWNCE-UWWQBHOKSA-N	1	0	371.485	1.728	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H]2COc3ccccc3O2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC001079589460	902868065	/nfs/dbraw/zinc/86/80/65/902868065.db2.gz	GCWUCZAHZKFHIN-UKPHBRMFSA-N	1	0	366.421	1.776	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC001079599807	902897357	/nfs/dbraw/zinc/89/73/57/902897357.db2.gz	BDPHHVJUBDBELB-NIKGAXFTSA-N	1	0	352.438	1.540	20	30		FDEDRO
CC1CC[NH+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(C#N)[nH]2)C3)CC1	ZINC000996097766	903077478	/nfs/dbraw/zinc/07/74/78/903077478.db2.gz	NMGCYWSKEXUWHT-NJAFHUGGSA-N	1	0	369.469	1.480	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C#N)[nH]1)C2	ZINC000996108723	903111099	/nfs/dbraw/zinc/11/10/99/903111099.db2.gz	OEXWCHKJXVWPMU-UBDQQSCGSA-N	1	0	369.469	1.621	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C#N)[nH]1)C2	ZINC000996110210	903115614	/nfs/dbraw/zinc/11/56/14/903115614.db2.gz	WFGPSFSFKYXKDO-IRWJRLHMSA-N	1	0	355.442	1.232	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(C#N)c1)C2	ZINC000996122100	903151076	/nfs/dbraw/zinc/15/10/76/903151076.db2.gz	JSCAVAOGSBOGML-VSZNYVQBSA-N	1	0	369.469	1.621	20	30		FDEDRO
N#Cc1ccccc1N1CCC(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1	ZINC000764062032	903257245	/nfs/dbraw/zinc/25/72/45/903257245.db2.gz	ICMRYRBQNNBRHC-IBGZPJMESA-N	1	0	353.470	1.033	20	30		FDEDRO
CC(C)N1C[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)CC1=O	ZINC001079796515	903351308	/nfs/dbraw/zinc/35/13/08/903351308.db2.gz	JZICFXHHTORGFJ-AYOQOUSVSA-N	1	0	368.481	1.752	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2N(C)C)C[C@H]1C	ZINC001079878189	903602904	/nfs/dbraw/zinc/60/29/04/903602904.db2.gz	LOUMXAKGSGNJIU-QFUCXCTJSA-N	1	0	368.525	1.787	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1cnn(CCF)c1	ZINC001080014935	903903898	/nfs/dbraw/zinc/90/38/98/903903898.db2.gz	SGYFNRUWHCURHT-RDTXWAMCSA-N	1	0	355.417	1.975	20	30		FDEDRO
CC(=O)NCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2	ZINC001107254901	904153205	/nfs/dbraw/zinc/15/32/05/904153205.db2.gz	HBIPMFUFWVHAQO-TZIWHRDSSA-N	1	0	353.466	1.535	20	30		FDEDRO
CC(=O)N[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2	ZINC001107267829	904236636	/nfs/dbraw/zinc/23/66/36/904236636.db2.gz	LUMHDJLUSCVSMV-NQSCKRDGSA-N	1	0	367.493	1.924	20	30		FDEDRO
O=C(Cn1cnnn1)NC[C@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2	ZINC001107279426	904278414	/nfs/dbraw/zinc/27/84/14/904278414.db2.gz	ZUUODKAPODIBHV-UYAOXDASSA-N	1	0	364.453	1.086	20	30		FDEDRO
CCN(CC)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CSCC#N)CCC[C@@H]12	ZINC001107289506	904308498	/nfs/dbraw/zinc/30/84/98/904308498.db2.gz	BBFQOZQTIKJFHL-CRAIPNDOSA-N	1	0	366.531	1.472	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@@H]3CCCO[C@H]3C=C)CC2)C1=O	ZINC000996599865	904312138	/nfs/dbraw/zinc/31/21/38/904312138.db2.gz	DDKCEQVGAMZDDT-KURKYZTESA-N	1	0	361.486	1.335	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccnc(OC)n2)CC1	ZINC000996600893	904317976	/nfs/dbraw/zinc/31/79/76/904317976.db2.gz	MXNNHTJCURGAOL-SJORKVTESA-N	1	0	360.458	1.547	20	30		FDEDRO
Cc1cnc(C[N@@H+]2CC[C@@]3(CNC(=O)CSCC#N)CCC[C@@H]23)cn1	ZINC001107291337	904364753	/nfs/dbraw/zinc/36/47/53/904364753.db2.gz	VVLPRKBFFRHZDE-SJLPKXTDSA-N	1	0	359.499	1.903	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)OC)CCC[C@@H]12	ZINC001107305059	904393895	/nfs/dbraw/zinc/39/38/95/904393895.db2.gz	CVHHZDNXLZOUSK-FRQCXROJSA-N	1	0	364.490	1.144	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN2C(=O)OCC[C@@H]2C1)C(C)C	ZINC000764342485	904411916	/nfs/dbraw/zinc/41/19/16/904411916.db2.gz	ZXJJSWHBMWZJMO-IAGOWNOFSA-N	1	0	364.490	1.921	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(C)C(C)C)CC2	ZINC001107330753	904462565	/nfs/dbraw/zinc/46/25/65/904462565.db2.gz	MTCOLCOIGVQLKV-VQIMIIECSA-N	1	0	351.491	1.417	20	30		FDEDRO
CCC(=O)NCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2	ZINC001107332272	904469737	/nfs/dbraw/zinc/46/97/37/904469737.db2.gz	VRXXUTBIDKEGNN-DENIHFKCSA-N	1	0	367.493	1.925	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)Nc1ccc(O)cc1)CC2	ZINC001107338916	904515401	/nfs/dbraw/zinc/51/54/01/904515401.db2.gz	YSKOHCQSPFSZAR-JNAXZKDPSA-N	1	0	370.453	1.851	20	30		FDEDRO
CC(C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2)=C1CCCC1	ZINC001107353814	904533432	/nfs/dbraw/zinc/53/34/32/904533432.db2.gz	KDPWCVPUAQUEIS-YLJYHZDGSA-N	1	0	358.486	1.877	20	30		FDEDRO
CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C#N)c[nH]3)CCC[C@@H]12	ZINC001107349531	904550701	/nfs/dbraw/zinc/55/07/01/904550701.db2.gz	FSNHGMUZGMHMCY-WIBUTAKZSA-N	1	0	371.485	1.775	20	30		FDEDRO
C=CCOCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCOC)CC2	ZINC001107351060	904554786	/nfs/dbraw/zinc/55/47/86/904554786.db2.gz	XSOCTCPFHKEMEI-UYAOXDASSA-N	1	0	368.518	1.993	20	30		FDEDRO
C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC(F)(F)C1)CC2	ZINC001107374534	904606387	/nfs/dbraw/zinc/60/63/87/904606387.db2.gz	VSQXHDZYQWHMCZ-CRAIPNDOSA-N	1	0	367.440	1.532	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(CC)CC)CC2	ZINC001107378824	904623003	/nfs/dbraw/zinc/62/30/03/904623003.db2.gz	OBZYCCRGIGANGB-LSTHTHJFSA-N	1	0	365.518	1.543	20	30		FDEDRO
CCc1nc(C)c(CN2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@H](OC)C2)o1	ZINC001081507086	904717844	/nfs/dbraw/zinc/71/78/44/904717844.db2.gz	DRXNHIUSRDLPSD-GDBMZVCRSA-N	1	0	357.414	1.374	20	30		FDEDRO
CC(C)COC[C@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)C#CC3CC3)CCC[C@@H]12	ZINC001107399645	904728918	/nfs/dbraw/zinc/72/89/18/904728918.db2.gz	BOWJCXVPMIDIEG-SFHLNBCPSA-N	1	0	362.514	1.794	20	30		FDEDRO
O=C(C#CC1CC1)NC[C@]12CCC[C@H]1[N@H+](C[C@@H]1CCS(=O)(=O)C1)CC2	ZINC001107399674	904729201	/nfs/dbraw/zinc/72/92/01/904729201.db2.gz	DFENJYBQTRGXPD-YQVWRLOYSA-N	1	0	364.511	1.195	20	30		FDEDRO
O=C(C#CC1CC1)NC[C@]12CCC[C@H]1[N@H+](C[C@@H]1CCNC(=O)CC1)CC2	ZINC001107399803	904730988	/nfs/dbraw/zinc/73/09/88/904730988.db2.gz	KMGCNUMWJVHRTP-WAOWUJCRSA-N	1	0	357.498	1.677	20	30		FDEDRO
C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCc1cnn(C)c1)CC2	ZINC001107402471	904739493	/nfs/dbraw/zinc/73/94/93/904739493.db2.gz	LTKPGQHDAXADOG-YVWKXTFCSA-N	1	0	358.486	1.362	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCc2ccc(C)cc2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC001081563342	904770755	/nfs/dbraw/zinc/77/07/55/904770755.db2.gz	JVWDTTWOEQBBBH-RTBURBONSA-N	1	0	352.438	1.867	20	30		FDEDRO
CN1CC[C@@H](CC(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1=O	ZINC001084435947	914843002	/nfs/dbraw/zinc/84/30/02/914843002.db2.gz	OLFOFQCOVNYRKU-IPMKNSEASA-N	1	0	366.465	1.459	20	30		FDEDRO
Cc1cc(CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2C)n(C)n1	ZINC001080122906	904801243	/nfs/dbraw/zinc/80/12/43/904801243.db2.gz	YRGNELCPDJHAHF-AUUYWEPGSA-N	1	0	351.454	1.779	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C4CC4)nn3C)CCC[C@@H]12	ZINC001107424533	904833610	/nfs/dbraw/zinc/83/36/10/904833610.db2.gz	SWUZRVFECSYYBH-TZIWHRDSSA-N	1	0	370.497	1.922	20	30		FDEDRO
CCn1cc(CC(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)nn1	ZINC001080177763	904840340	/nfs/dbraw/zinc/84/03/40/904840340.db2.gz	ZJSXCBBGAPDVCN-RDTXWAMCSA-N	1	0	352.442	1.349	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](Cn3cccn3)N(C)C)CCC[C@@H]12	ZINC001107435942	904896004	/nfs/dbraw/zinc/89/60/04/904896004.db2.gz	GXTJAZCZUPLKBY-QWFCFKBJSA-N	1	0	359.518	1.750	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3OCCO[C@H]3C)CCC[C@@H]12	ZINC001107439858	904923194	/nfs/dbraw/zinc/92/31/94/904923194.db2.gz	WLAUIMAXUJERTC-MJQMVNBJSA-N	1	0	352.475	1.354	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4n[nH]cc4c3)CCC[C@@H]12	ZINC001107446694	904962589	/nfs/dbraw/zinc/96/25/89/904962589.db2.gz	SZIUGOQTVZYBND-YLJYHZDGSA-N	1	0	367.453	1.582	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCn3nc(C)nc3C)C[C@H]2C)cc1	ZINC001080244742	904997006	/nfs/dbraw/zinc/99/70/06/904997006.db2.gz	JKCDAHWMAKCYQY-AUUYWEPGSA-N	1	0	351.454	1.627	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)CS(=O)(=O)CC(C)C)CCC[C@@H]12	ZINC001107455109	905014580	/nfs/dbraw/zinc/01/45/80/905014580.db2.gz	WYLXJZSHZQDUOV-SJLPKXTDSA-N	1	0	356.532	1.994	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)CS(=O)(=O)C3CCCC3)CCC[C@@H]12	ZINC001107455007	905015277	/nfs/dbraw/zinc/01/52/77/905015277.db2.gz	UHNJCIYJHZMBQH-SJLPKXTDSA-N	1	0	354.516	1.891	20	30		FDEDRO
CS(=O)(=O)CCCCO[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1	ZINC000764561903	905060324	/nfs/dbraw/zinc/06/03/24/905060324.db2.gz	AJNHZWASBRQAAN-UHFFFAOYSA-N	1	0	369.487	1.109	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1OC	ZINC001081811329	905135211	/nfs/dbraw/zinc/13/52/11/905135211.db2.gz	SJEZLELCJLNPLO-QHAWAJNXSA-N	1	0	369.509	1.532	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)CCC[C@@H]12	ZINC001107479627	905152275	/nfs/dbraw/zinc/15/22/75/905152275.db2.gz	KTDYOSMPXVUVJE-AXVVYFOYSA-N	1	0	363.502	1.736	20	30		FDEDRO
N#CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3C[C@H]3c3ccncc3)CC2)CC1	ZINC000996774933	905310297	/nfs/dbraw/zinc/31/02/97/905310297.db2.gz	BPHBABCJVHDDMO-GHBBCFCZSA-N	1	0	367.497	1.754	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(Cc3ccc(C#N)c(F)c3)C[C@H]2C)C1	ZINC001080446282	905449374	/nfs/dbraw/zinc/44/93/74/905449374.db2.gz	GNPLJASNXCFYKF-SPYBWZPUSA-N	1	0	358.461	1.976	20	30		FDEDRO
CC(C)(C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2)C(F)F	ZINC001107543637	905468845	/nfs/dbraw/zinc/46/88/45/905468845.db2.gz	QVBHZERZWUTZIY-SJKOYZFVSA-N	1	0	356.417	1.278	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)C(F)F)CCC[C@@H]12	ZINC001107543707	905471304	/nfs/dbraw/zinc/47/13/04/905471304.db2.gz	URRRTCMHWREXLR-FZKQIMNGSA-N	1	0	357.445	1.941	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@H](OC)c3ccccc3)C[C@H]2C)nn1	ZINC001080580203	905735913	/nfs/dbraw/zinc/73/59/13/905735913.db2.gz	NVUTXZMYKWMQHG-SUMDDJOVSA-N	1	0	369.469	1.902	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(COC)cc3)C[C@H]2C)nn1	ZINC001080580118	905736313	/nfs/dbraw/zinc/73/63/13/905736313.db2.gz	JZFHRHBLVGBCAF-CRAIPNDOSA-N	1	0	369.469	1.861	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCCO3)C[C@H]2C)nn1	ZINC001080585854	905748325	/nfs/dbraw/zinc/74/83/25/905748325.db2.gz	NQHBZBIITRQCIZ-BRWVUGGUSA-N	1	0	361.490	1.864	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)C(=O)NCC(F)(F)F)CCC[C@@H]12	ZINC001107589476	905804653	/nfs/dbraw/zinc/80/46/53/905804653.db2.gz	IYWDFTMAEBTQKD-CZUORRHYSA-N	1	0	361.408	1.992	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cn(C(C)C)nn3)CCC[C@@H]12	ZINC001107590878	905813627	/nfs/dbraw/zinc/81/36/27/905813627.db2.gz	MFCWWGVSJHFBSW-IEBWSBKVSA-N	1	0	359.474	1.483	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)CCC[C@@H]12	ZINC001107586337	905832581	/nfs/dbraw/zinc/83/25/81/905832581.db2.gz	QUDYDTGXPLPUCQ-DNVCBOLYSA-N	1	0	358.442	1.123	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2ccc(C)cc2)C[C@H]1OC	ZINC001082150687	905995915	/nfs/dbraw/zinc/99/59/15/905995915.db2.gz	LWVKYWBYDQGDSL-YSTOQKLRSA-N	1	0	374.481	1.780	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)COCc3cccnc3)CCC[C@@H]12	ZINC001107620227	906054823	/nfs/dbraw/zinc/05/48/23/906054823.db2.gz	DUHXMDCUKUQJSV-TZIWHRDSSA-N	1	0	371.481	1.609	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CO[C@H](C)c3nccn3C)CCC[C@@H]12	ZINC001107621075	906061149	/nfs/dbraw/zinc/06/11/49/906061149.db2.gz	IYHXXDKRHVMQDT-MBOZVWFJSA-N	1	0	358.486	1.882	20	30		FDEDRO
CC(=O)N1CC[C@](C)(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2C)C1	ZINC001080738317	906078498	/nfs/dbraw/zinc/07/84/98/906078498.db2.gz	CUDKUVXQYFUYEW-VMRPVKRXSA-N	1	0	368.481	1.753	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)[C@@]34C[C@@H]3CCCC4)C2)cc1F	ZINC001077643489	906093843	/nfs/dbraw/zinc/09/38/43/906093843.db2.gz	FCJASCHRZHQSOG-MMTROXRISA-N	1	0	357.429	1.939	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)CS(C)(=O)=O)CCC[C@@H]12	ZINC001107647185	906269748	/nfs/dbraw/zinc/26/97/48/906269748.db2.gz	ICNADKSEICPCFB-JFIYKMOQSA-N	1	0	356.532	1.994	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1C	ZINC001080805126	906285468	/nfs/dbraw/zinc/28/54/68/906285468.db2.gz	BZCCUZNTQHQLNQ-VQIMIIECSA-N	1	0	371.481	1.960	20	30		FDEDRO
Cc1nn(C)c(F)c1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C	ZINC001080863483	906488062	/nfs/dbraw/zinc/48/80/62/906488062.db2.gz	OONNREREYOQTTF-MLGOLLRUSA-N	1	0	355.417	1.990	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cnn(-c3ccncc3)c2)[C@H](OC)C1	ZINC001082279077	906598586	/nfs/dbraw/zinc/59/85/86/906598586.db2.gz	LRUUMEZQZPVDLU-QZTJIDSGSA-N	1	0	355.442	1.663	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)Cc3cccc(F)c3)C2)C1=O	ZINC001080895939	906680997	/nfs/dbraw/zinc/68/09/97/906680997.db2.gz	FNBWYXVYTTWVQC-ZTFGCOKTSA-N	1	0	359.445	1.592	20	30		FDEDRO
C=CCC[NH2+][C@H]1CCN(c2cccc(CNC(=O)[C@H]3OCC[C@H]3C)n2)C1	ZINC001127845802	906717552	/nfs/dbraw/zinc/71/75/52/906717552.db2.gz	LLUMMDOSXDVJIW-AYBZRNKSSA-N	1	0	358.486	1.867	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](OC)C1	ZINC001082317717	906762039	/nfs/dbraw/zinc/76/20/39/906762039.db2.gz	JNSVIWLDINLXMK-IAGOWNOFSA-N	1	0	355.910	1.676	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)N2CCCC[C@H]2C)CC1	ZINC000997012520	906928901	/nfs/dbraw/zinc/92/89/01/906928901.db2.gz	UYLPIPMPFBTFFV-NXHRZFHOSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1O	ZINC001077698862	906967836	/nfs/dbraw/zinc/96/78/36/906967836.db2.gz	DBRQBVNBWUUDDE-OWYHZJEWSA-N	1	0	355.438	1.420	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3cnc(C)cn3)C[C@H]2C)CC1	ZINC001080997593	906970700	/nfs/dbraw/zinc/97/07/00/906970700.db2.gz	GHALZNBTYZNPRP-DNVCBOLYSA-N	1	0	355.486	1.067	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN([C@@H](C)c3ncc(C)o3)C[C@H]2C)CC1	ZINC001080998162	906976091	/nfs/dbraw/zinc/97/60/91/906976091.db2.gz	VJOYEKTUDZMUCQ-UWWQBHOKSA-N	1	0	358.486	1.826	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+][C@@H](C)c2nnc(CC)[nH]2)CC1	ZINC000997084547	907216124	/nfs/dbraw/zinc/21/61/24/907216124.db2.gz	NWPABASEAIVVMJ-QRTARXTBSA-N	1	0	361.490	1.990	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cc2nnc(C)[nH]2)C[C@H]1c1ccccc1	ZINC001081115340	907216504	/nfs/dbraw/zinc/21/65/04/907216504.db2.gz	XWHXQOCHWOSHJP-JKSUJKDBSA-N	1	0	359.861	1.992	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2nc(C)c(Cl)c2C)[C@H](OC)C1	ZINC001082373957	907282858	/nfs/dbraw/zinc/28/28/58/907282858.db2.gz	HUWOVAOEZYZTGQ-HUUCEWRRSA-N	1	0	354.882	1.935	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@H]2c2ccccc2)cc1F	ZINC001081171171	907295334	/nfs/dbraw/zinc/29/53/34/907295334.db2.gz	FUOQAIZZNPPVJE-FUHWJXTLSA-N	1	0	366.396	1.267	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1c1ccccc1	ZINC001081213606	907320811	/nfs/dbraw/zinc/32/08/11/907320811.db2.gz	GZVGZSRBKJDFHB-DLBZAZTESA-N	1	0	370.453	1.041	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C(N)=O)C[C@H]1c1ccccc1	ZINC001081213991	907322665	/nfs/dbraw/zinc/32/26/65/907322665.db2.gz	YVTDJUQFQWFRFQ-KSZLIROESA-N	1	0	356.470	1.690	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](OC)C1	ZINC001082381979	907360079	/nfs/dbraw/zinc/36/00/79/907360079.db2.gz	ISNOPXSBGULVID-IAGOWNOFSA-N	1	0	351.878	1.930	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C2CCS(=O)(=O)CC2)C[C@H]1c1ccccc1	ZINC001081190549	907368295	/nfs/dbraw/zinc/36/82/95/907368295.db2.gz	IJODHULMMIKBDV-ZWKOTPCHSA-N	1	0	360.479	1.029	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(N)=O)C1	ZINC001081195751	907374614	/nfs/dbraw/zinc/37/46/14/907374614.db2.gz	SAOHARPJRNIQFK-BMFAXAFESA-N	1	0	357.454	1.037	20	30		FDEDRO
C[NH+](C)CCn1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H](NCC#N)C2)cn1	ZINC001081195784	907375905	/nfs/dbraw/zinc/37/59/05/907375905.db2.gz	TZQASHKOVBOPQZ-RBUKOAKNSA-N	1	0	366.469	1.166	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N[C@@H]2C[N@@H+]([C@H](C)COC)C[C@H]2OC)cc1	ZINC001082387330	907419400	/nfs/dbraw/zinc/41/94/00/907419400.db2.gz	YXJYVRSVKKHTRE-ATZDWAIDSA-N	1	0	362.470	1.644	20	30		FDEDRO
CC#CCNCc1ccncc1O[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001127887854	907477063	/nfs/dbraw/zinc/47/70/63/907477063.db2.gz	BNDDZYXLFNHMHG-NZSAHSFTSA-N	1	0	370.497	1.514	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2c3ccccc3NC2=O)[C@H](OC)C1	ZINC001082394074	907476839	/nfs/dbraw/zinc/47/68/39/907476839.db2.gz	TUDVPPJZBVQCLK-KBAYOESNSA-N	1	0	357.454	1.894	20	30		FDEDRO
Cc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)cnn1C	ZINC001082424843	907656773	/nfs/dbraw/zinc/65/67/73/907656773.db2.gz	FXDARHOHYCJPRS-KZULUSFZSA-N	1	0	355.417	1.990	20	30		FDEDRO
Cc1cnn(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)c1	ZINC001082439984	907772528	/nfs/dbraw/zinc/77/25/28/907772528.db2.gz	WTZICXAEPMTZKD-RDTXWAMCSA-N	1	0	355.417	1.839	20	30		FDEDRO
Cc1cnn(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3F)C2)c1	ZINC001082439862	907772859	/nfs/dbraw/zinc/77/28/59/907772859.db2.gz	OVGUGRONGGPVHK-RDTXWAMCSA-N	1	0	355.417	1.839	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1[NH2+]Cc1cccc(C(N)=O)c1	ZINC001082464573	907897916	/nfs/dbraw/zinc/89/79/16/907897916.db2.gz	UURLNIFSBAHNOP-SJKOYZFVSA-N	1	0	351.410	1.236	20	30		FDEDRO
CNC(=O)c1ccc(C[NH2+][C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)cc1	ZINC001082464513	907898414	/nfs/dbraw/zinc/89/84/14/907898414.db2.gz	RCDJJLAHKDNAKJ-FZKQIMNGSA-N	1	0	365.437	1.496	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1[NH2+]Cc1ccc2c(c1)OCCO2	ZINC001082483816	907907717	/nfs/dbraw/zinc/90/77/17/907907717.db2.gz	MHEFSOATRCAQPL-CXAGYDPISA-N	1	0	366.421	1.908	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCNC(=O)C3)C[C@H]2C)cc1C#N	ZINC001082472308	907922329	/nfs/dbraw/zinc/92/23/29/907922329.db2.gz	FOWQTPUYRDNQQV-FRFSOERESA-N	1	0	370.453	1.030	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2COC(=O)C2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082474318	907929381	/nfs/dbraw/zinc/92/93/81/907929381.db2.gz	HSIAVCWPWMFKGI-HACGYAERSA-N	1	0	359.401	1.587	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C)n2cncn2)C[C@H]1C	ZINC001082481644	907955549	/nfs/dbraw/zinc/95/55/49/907955549.db2.gz	IIRJXGRLXUPINA-CKEIUWERSA-N	1	0	368.441	1.356	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082490782	907999437	/nfs/dbraw/zinc/99/94/37/907999437.db2.gz	BMHAXVFUGOQIMV-FZKQIMNGSA-N	1	0	355.417	1.610	20	30		FDEDRO
CO[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1)C1CC1	ZINC001082493545	908019955	/nfs/dbraw/zinc/01/99/55/908019955.db2.gz	SIZJDPFFWLCXNB-NIKGAXFTSA-N	1	0	357.454	1.950	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)Cc3ccncc3C)C[C@H]2C)C1=O	ZINC001082513375	908032809	/nfs/dbraw/zinc/03/28/09/908032809.db2.gz	LSJPYVMJJXVZRG-BPQIPLTHSA-N	1	0	356.470	1.156	20	30		FDEDRO
CCn1nncc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1	ZINC001082501926	908096669	/nfs/dbraw/zinc/09/66/69/908096669.db2.gz	UQSAXKMADHBCQX-RHSMWYFYSA-N	1	0	368.441	1.451	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2nc(C)nc2C)C1	ZINC001082519549	908209910	/nfs/dbraw/zinc/20/99/10/908209910.db2.gz	TUWSRECSUXNYOX-PILAGYSTSA-N	1	0	361.490	1.313	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H](CC)c3ccccc3)C[C@H]2O)nn1	ZINC001077801158	908298346	/nfs/dbraw/zinc/29/83/46/908298346.db2.gz	FNHDBMBGSKLVIK-KBAYOESNSA-N	1	0	355.442	1.390	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3cccc(C)c3)C[C@H]2O)nn1	ZINC001077801327	908304015	/nfs/dbraw/zinc/30/40/15/908304015.db2.gz	MRCXSOIZYROHNX-YXJHDRRASA-N	1	0	355.442	1.309	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C)C(C)C)CC1	ZINC000997356711	908311919	/nfs/dbraw/zinc/31/19/19/908311919.db2.gz	FKPMQULPMLMAGZ-YSHGAJCASA-N	1	0	359.514	1.872	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccoc2C)CC1	ZINC000997357305	908325274	/nfs/dbraw/zinc/32/52/74/908325274.db2.gz	JTNKWWTVSUSMNK-NEWSRXKRSA-N	1	0	369.465	1.795	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@@H]2CCCO2)CC1	ZINC000997357956	908327513	/nfs/dbraw/zinc/32/75/13/908327513.db2.gz	RZMVBPGFPMLJLY-XWSJACJDSA-N	1	0	373.497	1.149	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC=CC2)CC1	ZINC000997357959	908328794	/nfs/dbraw/zinc/32/87/94/908328794.db2.gz	SCEUUUAELHGZRV-QYZOEREBSA-N	1	0	355.482	1.546	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CC2CCN(S(C)(=O)=O)CC2)CC1	ZINC000654748748	908346972	/nfs/dbraw/zinc/34/69/72/908346972.db2.gz	IBDGNXDOQXNADZ-UHFFFAOYSA-N	1	0	357.520	1.205	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2cc3c(cc2OC)C[C@@H](C)O3)CC1	ZINC000921566131	908381962	/nfs/dbraw/zinc/38/19/62/908381962.db2.gz	AXKGBIGQJILOCC-CQSZACIVSA-N	1	0	357.454	1.915	20	30		FDEDRO
CCN1C[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)CC1=O	ZINC001082542504	908415370	/nfs/dbraw/zinc/41/53/70/908415370.db2.gz	KLKPJXDPXXAGKB-ZTFGCOKTSA-N	1	0	354.454	1.363	20	30		FDEDRO
Cc1c(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)cnn1C	ZINC001082552043	908516337	/nfs/dbraw/zinc/51/63/37/908516337.db2.gz	WLQFZGCXQUCZJH-BFUOFWGJSA-N	1	0	369.444	1.919	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C)CC1	ZINC000921595962	908550373	/nfs/dbraw/zinc/55/03/73/908550373.db2.gz	IVTGNJZFEBTMEE-CQSZACIVSA-N	1	0	352.479	1.544	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1C	ZINC001082556610	908581562	/nfs/dbraw/zinc/58/15/62/908581562.db2.gz	WGLBOXXMNGDNAV-UKPHBRMFSA-N	1	0	370.453	1.030	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cnc4[nH]ccc4c3)C[C@H]2C)C1=O	ZINC001082577832	908753170	/nfs/dbraw/zinc/75/31/70/908753170.db2.gz	UTBOPXOLAWELCB-XOKHGSTOSA-N	1	0	367.453	1.352	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](CNC(=O)CCC[NH+](C)C)CC1	ZINC001060849431	908870764	/nfs/dbraw/zinc/87/07/64/908870764.db2.gz	UWUJGGLZLDZSHK-TVFCKZIOSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc4cccn4cn3)C[C@H]2C)C1=O	ZINC001082586172	908906059	/nfs/dbraw/zinc/90/60/59/908906059.db2.gz	GNDQUMRUTMVADJ-QGPMSJSTSA-N	1	0	367.453	1.171	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCc3nccn3C2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082603145	908912704	/nfs/dbraw/zinc/91/27/04/908912704.db2.gz	LXNRGSAUSWPAEB-AYOQOUSVSA-N	1	0	363.465	1.954	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCN(C)C(=O)C2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082599958	908960769	/nfs/dbraw/zinc/96/07/69/908960769.db2.gz	SZYYOIMRLKSIOX-DVOMOZLQSA-N	1	0	360.483	1.425	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1	ZINC001082600234	908962104	/nfs/dbraw/zinc/96/21/04/908962104.db2.gz	IVYWBBYIAYQVPR-BPQIPLTHSA-N	1	0	371.481	1.922	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc(C)cc(C)n3)C[C@H]2C)C1=O	ZINC001082610629	909000176	/nfs/dbraw/zinc/00/01/76/909000176.db2.gz	SNIJYMDFWHSIPY-UWWQBHOKSA-N	1	0	356.470	1.535	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(N(C)C)c2)C[C@@H]1O	ZINC001083789766	909032568	/nfs/dbraw/zinc/03/25/68/909032568.db2.gz	VDHIREZXQWLUDS-YRXWBPOGSA-N	1	0	359.470	1.005	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082614678	909049377	/nfs/dbraw/zinc/04/93/77/909049377.db2.gz	ATEAJTNGBWOSJR-FZKQIMNGSA-N	1	0	368.412	1.646	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[NH+]1CCCC1	ZINC000997547367	909124247	/nfs/dbraw/zinc/12/42/47/909124247.db2.gz	ABCGPJJJOOVWCP-IKGGRYGDSA-N	1	0	356.470	1.632	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C(N)=O)cn2C)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082621295	909128889	/nfs/dbraw/zinc/12/88/89/909128889.db2.gz	HIHQVNIFSWGBNX-CXAGYDPISA-N	1	0	365.437	1.246	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C(N)=O)cn2C)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082621453	909130036	/nfs/dbraw/zinc/13/00/36/909130036.db2.gz	RUHDIXRNSQFIDB-IAQYHMDHSA-N	1	0	371.466	1.307	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccc(C)c(F)c3)C[C@H]2C)C1=O	ZINC001082628726	909161685	/nfs/dbraw/zinc/16/16/85/909161685.db2.gz	PTWLYSXVJWUIJT-FHLIZLRMSA-N	1	0	359.445	1.971	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ccccc2OCC(N)=O)C[C@H]1C	ZINC001082630457	909172091	/nfs/dbraw/zinc/17/20/91/909172091.db2.gz	XRTTXTDBNMRFKT-BXUZGUMPSA-N	1	0	351.834	1.353	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)ccc2=O)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082635787	909229422	/nfs/dbraw/zinc/22/94/22/909229422.db2.gz	ZZKNMPLYEQYSPT-FZKQIMNGSA-N	1	0	368.412	1.646	20	30		FDEDRO
COc1c[nH]c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)cc1=O	ZINC001082644922	909298238	/nfs/dbraw/zinc/29/82/38/909298238.db2.gz	PTZPTVLBBGBYGA-CXAGYDPISA-N	1	0	366.421	1.505	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3c(C)cccc3C)C[C@H]2O)nn1	ZINC001077813062	909301863	/nfs/dbraw/zinc/30/18/63/909301863.db2.gz	YHZQFFHFHUROEV-IEBWSBKVSA-N	1	0	369.469	1.446	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082660390	909380763	/nfs/dbraw/zinc/38/07/63/909380763.db2.gz	YAKNVCJGLRKPOC-SMNXXWJPSA-N	1	0	358.417	1.160	20	30		FDEDRO
C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1	ZINC000997692457	909482693	/nfs/dbraw/zinc/48/26/93/909482693.db2.gz	SOUUDDWVGNRRQG-UHOSZYNNSA-N	1	0	365.518	1.269	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)c2C)C[C@@H]1O	ZINC001083790246	909519836	/nfs/dbraw/zinc/51/98/36/909519836.db2.gz	XEQXGDFHJWANJO-BDXSIMOUSA-N	1	0	360.454	1.256	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)cc1	ZINC001082678181	909558260	/nfs/dbraw/zinc/55/82/60/909558260.db2.gz	CFRQJWWBVFEGIK-UWWQBHOKSA-N	1	0	360.479	1.153	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3c[nH]c(=O)n3C)C[C@H]2C)cc1C#N	ZINC001082684978	909568660	/nfs/dbraw/zinc/56/86/60/909568660.db2.gz	VESYMMOJUMIPRM-IUODEOHRSA-N	1	0	369.425	1.256	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@H]2CCS(=O)(=O)C2)C1	ZINC001082682025	909600769	/nfs/dbraw/zinc/60/07/69/909600769.db2.gz	MOVQAHWURPYOKT-OWCLPIDISA-N	1	0	356.532	1.850	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C[C@H]2C)cc1C#N	ZINC001082693912	909637438	/nfs/dbraw/zinc/63/74/38/909637438.db2.gz	GLEOTHYZLVXVLL-ZIIYPAMZSA-N	1	0	355.438	1.396	20	30		FDEDRO
COc1cc(=O)[nH]cc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001082747274	909691879	/nfs/dbraw/zinc/69/18/79/909691879.db2.gz	IRUUTYIHBJKXJQ-CXAGYDPISA-N	1	0	366.421	1.918	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCCC(=O)N2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082734814	909903326	/nfs/dbraw/zinc/90/33/26/909903326.db2.gz	ZMSQZYNUVGKFAV-ZTFGCOKTSA-N	1	0	354.454	1.554	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)C3Cc4ccccc4C3)C[C@H]2C)C1=O	ZINC001082761322	910042446	/nfs/dbraw/zinc/04/24/46/910042446.db2.gz	URPILCVVPBGSMC-UIAACRFSSA-N	1	0	367.493	1.625	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)CCCc2ncc(C)o2)[C@H](OC)C1	ZINC001212386454	910161396	/nfs/dbraw/zinc/16/13/96/910161396.db2.gz	DOHZUABOUMFMOK-HZPDHXFCSA-N	1	0	351.447	1.324	20	30		FDEDRO
COCc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)no1	ZINC001082789117	910176751	/nfs/dbraw/zinc/17/67/51/910176751.db2.gz	NSADOIIBDALGKJ-FZKQIMNGSA-N	1	0	354.410	1.943	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(OC)no3)C2)cc1	ZINC001082790394	910190092	/nfs/dbraw/zinc/19/00/92/910190092.db2.gz	CEVSLIKXEKDEMR-RDTXWAMCSA-N	1	0	369.421	1.946	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082802462	910226462	/nfs/dbraw/zinc/22/64/62/910226462.db2.gz	JZWDJKNCKQKJJS-OAUYIBNBSA-N	1	0	358.417	1.303	20	30		FDEDRO
Cc1cc(=O)c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)c[nH]1	ZINC001082838475	910374525	/nfs/dbraw/zinc/37/45/25/910374525.db2.gz	WNYCPAGHHDZZMJ-FZKQIMNGSA-N	1	0	350.422	1.805	20	30		FDEDRO
CCN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)CC1	ZINC000998125799	910407645	/nfs/dbraw/zinc/40/76/45/910407645.db2.gz	KVGURMKCCOCQPL-OTWHNJEPSA-N	1	0	368.481	1.883	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ncoc3C(C)C)C[C@H]2C)C1=O	ZINC001082845441	910418292	/nfs/dbraw/zinc/41/82/92/910418292.db2.gz	XRFMTIPVVYRVFV-RBSFLKMASA-N	1	0	360.458	1.635	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C)n(C)n2)C1	ZINC001082851389	910463740	/nfs/dbraw/zinc/46/37/40/910463740.db2.gz	AZWKXONOLMPNJA-RHSMWYFYSA-N	1	0	369.469	1.939	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cccc3c2COCC3)[C@H](OC)C1	ZINC001212390853	910479609	/nfs/dbraw/zinc/47/96/09/910479609.db2.gz	GABMZABAPQYCRN-RTBURBONSA-N	1	0	360.454	1.391	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc(F)cc(F)c3)C[C@H]2C)C1=O	ZINC001082903609	910794177	/nfs/dbraw/zinc/79/41/77/910794177.db2.gz	RJPSIUGWODIXPU-OAUYIBNBSA-N	1	0	363.408	1.802	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(N)=O)cc2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082914946	910839486	/nfs/dbraw/zinc/83/94/86/910839486.db2.gz	WJTKAFRGLDLQDC-AUUYWEPGSA-N	1	0	362.433	1.907	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)Cn2ccnc2C)C[C@H]1C	ZINC001082922683	910930633	/nfs/dbraw/zinc/93/06/33/910930633.db2.gz	VHUQUYRVFUOQSK-RDTXWAMCSA-N	1	0	367.453	1.709	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3nc(C)c(C)s3)C[C@H]2C)C1=O	ZINC001082929481	910945942	/nfs/dbraw/zinc/94/59/42/910945942.db2.gz	XSYFXMBHTXLRKG-KCPJHIHWSA-N	1	0	362.499	1.597	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NCc3nc(C)oc3C)C2)CC1	ZINC001082941508	911018246	/nfs/dbraw/zinc/01/82/46/911018246.db2.gz	UYOLPPHHOYTPDP-AUUYWEPGSA-N	1	0	358.486	1.573	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccccc2CC)C[C@H]1O	ZINC001077821819	911139893	/nfs/dbraw/zinc/13/98/93/911139893.db2.gz	INKPXTPLSMYCJD-BQJUDKOJSA-N	1	0	372.509	1.934	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)CC1	ZINC000727647526	911140146	/nfs/dbraw/zinc/14/01/46/911140146.db2.gz	WRJGGXCHGPWJFG-INIZCTEOSA-N	1	0	371.437	1.738	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(CC)c2)C[C@H]1O	ZINC001077821720	911144250	/nfs/dbraw/zinc/14/42/50/911144250.db2.gz	CPABDYRSXKIRDM-NMLBUPMWSA-N	1	0	358.482	1.892	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(CF)cc2)C[C@H]1O	ZINC001077822022	911158171	/nfs/dbraw/zinc/15/81/71/911158171.db2.gz	UEKVIIYHFFKCIU-MANSERQUSA-N	1	0	362.445	1.799	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(C(C)=O)c3ccccc32)CC1	ZINC000921667203	911177535	/nfs/dbraw/zinc/17/75/35/911177535.db2.gz	MBIDVOQRSJBPAX-GOSISDBHSA-N	1	0	354.454	1.881	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cc3n(n2)CCC3)C1	ZINC000998784932	911660587	/nfs/dbraw/zinc/66/05/87/911660587.db2.gz	LXKTYJFBAXVVAM-CTVCJKGISA-N	1	0	358.486	1.890	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cn(C(C)C)nn2)C1	ZINC000998787210	911669820	/nfs/dbraw/zinc/66/98/20/911669820.db2.gz	GEDWKWLSYGEQMN-SYNTWQANSA-N	1	0	361.490	1.919	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CCO[C@@H]3C[N@H+](CCc4cccs4)C[C@@H]32)c1	ZINC001083040198	911761799	/nfs/dbraw/zinc/76/17/99/911761799.db2.gz	AFHSEWANVLXNFQ-DLBZAZTESA-N	1	0	356.451	1.716	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)CCC4CCC4)[C@H]3C2)C1=O	ZINC001083040640	911763385	/nfs/dbraw/zinc/76/33/85/911763385.db2.gz	WPSSKFFRPRRCKS-FGTMMUONSA-N	1	0	361.486	1.265	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@H+]2CC[C@H](C)C2)cn1	ZINC000998955094	911923903	/nfs/dbraw/zinc/92/39/03/911923903.db2.gz	UQVBCLAHEBYSDF-VLQPXKRTSA-N	1	0	366.465	1.266	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3cn4ccccc4n3)[C@H]2C1	ZINC001083122519	911947701	/nfs/dbraw/zinc/94/77/01/911947701.db2.gz	XJSXUAXSAZSYOE-ZWKOTPCHSA-N	1	0	354.454	1.755	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2COCCO2)ccc1F	ZINC001085137181	921704450	/nfs/dbraw/zinc/70/44/50/921704450.db2.gz	ZUSUPUYNIVVOSO-KURKYZTESA-N	1	0	361.417	1.630	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(-c4ccn(C)n4)on3)[C@H]2C1	ZINC001083093083	911979691	/nfs/dbraw/zinc/97/96/91/911979691.db2.gz	PVMQZXABZIJPAX-DOTOQJQBSA-N	1	0	357.414	1.176	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC(=O)N(CC(C)C)C3)[C@H]2C1	ZINC001083099117	912002684	/nfs/dbraw/zinc/00/26/84/912002684.db2.gz	VDEMUGQVSZRKPW-FGTMMUONSA-N	1	0	363.502	1.369	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc4ccccc4c(=O)[nH]3)[C@H]2C1	ZINC001083104976	912036690	/nfs/dbraw/zinc/03/66/90/912036690.db2.gz	CGQGESUEQIRDMJ-ZWKOTPCHSA-N	1	0	351.406	1.489	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc4sccn4c3=O)[C@@H]2C1	ZINC001084497705	915008427	/nfs/dbraw/zinc/00/84/27/915008427.db2.gz	ZANRDTMOMYGSPD-UKRRQHHQSA-N	1	0	358.467	1.869	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4ccc(=O)[nH]c4)[C@@H]3C2)c1	ZINC001084526837	915195799	/nfs/dbraw/zinc/19/57/99/915195799.db2.gz	MQYZLMJRZVTDDS-RTBURBONSA-N	1	0	362.433	1.934	20	30		FDEDRO
CN1C(=O)CC[C@H]1CC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001084570396	915414065	/nfs/dbraw/zinc/41/40/65/915414065.db2.gz	HVEAALXULNXGAE-CEXWTWQISA-N	1	0	366.465	1.602	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2ccc(OCC(=O)N(C)C)cc2)CC1	ZINC000730124736	916178188	/nfs/dbraw/zinc/17/81/88/916178188.db2.gz	DQPYMWYKPSLPHH-UHFFFAOYSA-N	1	0	360.458	1.926	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1	ZINC000730213924	916314628	/nfs/dbraw/zinc/31/46/28/916314628.db2.gz	YJAKHGMFZCTGSB-HNNXBMFYSA-N	1	0	360.433	1.873	20	30		FDEDRO
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)CN1CC[NH+](C)CC1	ZINC000730227337	916365461	/nfs/dbraw/zinc/36/54/61/916365461.db2.gz	CFFACJUHZYGPFE-CQSZACIVSA-N	1	0	355.442	1.616	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000730278291	916505915	/nfs/dbraw/zinc/50/59/15/916505915.db2.gz	JZDSLSKTHRNMJZ-NRFANRHFSA-N	1	0	368.525	1.803	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@H]2CC[N@@H+](C[C@H](CC)OC)C[C@H]21	ZINC001084783246	917118839	/nfs/dbraw/zinc/11/88/39/917118839.db2.gz	HUCXWHLMTQDBQB-SOLBZPMBSA-N	1	0	357.454	1.665	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4cncs4)C[C@H]32)CC1	ZINC001084851012	917656440	/nfs/dbraw/zinc/65/64/40/917656440.db2.gz	JEIJILGUQZIVSZ-SJLPKXTDSA-N	1	0	358.511	1.521	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4conc4CC)C[C@H]32)CC1	ZINC001084851373	917660979	/nfs/dbraw/zinc/66/09/79/917660979.db2.gz	ZHXCCYHJYCFIDA-YLJYHZDGSA-N	1	0	370.497	1.615	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cccnc4)C[C@@H]32)C1=O	ZINC001084881055	917953778	/nfs/dbraw/zinc/95/37/78/917953778.db2.gz	UCMBPQLXELAOLM-SZMVWBNQSA-N	1	0	354.454	1.405	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cc(CC)n[nH]4)C[C@@H]32)C1=O	ZINC001084893200	918061184	/nfs/dbraw/zinc/06/11/84/918061184.db2.gz	OXCLDXRVHJEIGY-QGTPRVQTSA-N	1	0	371.485	1.295	20	30		FDEDRO
C=C1CC(C)(C(=O)NC[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCO2)C1	ZINC001065212747	918221566	/nfs/dbraw/zinc/22/15/66/918221566.db2.gz	UZMUUSSVEUCPNW-YESZJQIVSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)Cc4ccc(C)o4)C[C@@H]32)C1=O	ZINC001084924394	918343983	/nfs/dbraw/zinc/34/39/83/918343983.db2.gz	DDSYCKVHJCUTNR-WDSOQIARSA-N	1	0	371.481	1.840	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)Cc4ccc(C)o4)C[C@@H]32)C1=O	ZINC001084924393	918344322	/nfs/dbraw/zinc/34/43/22/918344322.db2.gz	DDSYCKVHJCUTNR-UHOSZYNNSA-N	1	0	371.481	1.840	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cn([C@@H](C)COC)nc3C)C[C@@H]21	ZINC001084940094	918560267	/nfs/dbraw/zinc/56/02/67/918560267.db2.gz	DAVVUSNRZZHLDF-WDYCEAGBSA-N	1	0	358.486	1.959	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3c[nH]cc3-c3cnn(C)c3)C[C@@H]21	ZINC001084939203	918599520	/nfs/dbraw/zinc/59/95/20/918599520.db2.gz	WVBFCUGBOUOHQW-BEFAXECRSA-N	1	0	351.454	1.975	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cncn3C)[C@H]2C1	ZINC001084943228	918610611	/nfs/dbraw/zinc/61/06/11/918610611.db2.gz	OUNUAUDZBDRNAS-YSHGAJCASA-N	1	0	358.486	1.824	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cnn(C)c3)[C@H]2C1	ZINC001084943256	918610844	/nfs/dbraw/zinc/61/08/44/918610844.db2.gz	QIVMFMOHFUVEDK-YRXWBPOGSA-N	1	0	358.486	1.824	20	30		FDEDRO
CN1C[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CC#Cc4ccccc4)[C@H]3C2)CC1=O	ZINC001084952639	918726781	/nfs/dbraw/zinc/72/67/81/918726781.db2.gz	BKIZNLLDTYUORI-AABGKKOBSA-N	1	0	365.477	1.439	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2CC[N@H+](C)C2)cc1	ZINC000731895312	918759683	/nfs/dbraw/zinc/75/96/83/918759683.db2.gz	OERIHCCERGIAHE-NIGUIEARSA-N	1	0	364.471	1.390	20	30		FDEDRO
COc1cc(C=NNC(=S)NCCC[NH+](C)C)c([N+](=O)[O-])cc1O	ZINC000731928242	918844942	/nfs/dbraw/zinc/84/49/42/918844942.db2.gz	GWAHWCHKSMRGMH-UHFFFAOYSA-N	1	0	355.420	1.059	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3cncs3)[C@H]2C1	ZINC001084961091	918906639	/nfs/dbraw/zinc/90/66/39/918906639.db2.gz	KILWORRXVMYKEK-NJAFHUGGSA-N	1	0	358.511	1.664	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3conc3CC)[C@H]2C1	ZINC001084961221	918908504	/nfs/dbraw/zinc/90/85/04/918908504.db2.gz	SSOJWKFJERAFEJ-UXPWSPDFSA-N	1	0	370.497	1.757	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)c3cnc[nH]c3=O)C[C@@H]21	ZINC001084967034	918961747	/nfs/dbraw/zinc/96/17/47/918961747.db2.gz	CFSQPXOOVUAFMY-KDOFPFPSSA-N	1	0	363.421	1.790	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)c4cnc[nH]c4=O)C[C@@H]32)cc1	ZINC001084967232	918964734	/nfs/dbraw/zinc/96/47/34/918964734.db2.gz	VHOCNHBPVIBFFV-AEFFLSMTSA-N	1	0	363.421	1.790	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)CCc3ccc(C(N)=O)cc3)C[C@@H]21	ZINC001084989441	919259382	/nfs/dbraw/zinc/25/93/82/919259382.db2.gz	YADRWRSBXKDLAJ-MJGOQNOKSA-N	1	0	353.466	1.664	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cncc(-n4ccnn4)c3)C[C@@H]21	ZINC001084997539	919438860	/nfs/dbraw/zinc/43/88/60/919438860.db2.gz	HAMHOHVWCPNBBM-QAPCUYQASA-N	1	0	350.426	1.222	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cnoc3-c3cnn(C)c3)C[C@@H]21	ZINC001084997708	919439719	/nfs/dbraw/zinc/43/97/19/919439719.db2.gz	SVXLWBHZDHYMSJ-PBHICJAKSA-N	1	0	353.426	1.635	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)c3c(C)c(C)nn(C)c3=O)C[C@@H]21	ZINC001085002796	919497938	/nfs/dbraw/zinc/49/79/38/919497938.db2.gz	MJTZAWCFXGIXRS-SJORKVTESA-N	1	0	358.486	1.900	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cocc4C)C[C@@H]32)C1=O	ZINC001085009224	919561730	/nfs/dbraw/zinc/56/17/30/919561730.db2.gz	QXQPYNYNICXPCJ-JQHSSLGASA-N	1	0	357.454	1.911	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]21	ZINC001085034694	919912959	/nfs/dbraw/zinc/91/29/59/919912959.db2.gz	JFMLAOJHDVPVGP-ZSGPHXLJSA-N	1	0	352.438	1.102	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)C4(CF)CCC4)C[C@@H]32)C1=O	ZINC001085037481	919963381	/nfs/dbraw/zinc/96/33/81/919963381.db2.gz	IYRDMAYLECFRPF-BBWFWOEESA-N	1	0	363.477	1.836	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4c(C)noc4C)[C@H]3C2)nn1	ZINC001085051820	920099030	/nfs/dbraw/zinc/09/90/30/920099030.db2.gz	KTWDWBJCUOSSCP-QAPCUYQASA-N	1	0	370.457	1.806	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cn4nc(C)cc4[nH]c3=O)C[C@@H]21	ZINC001085056452	920200090	/nfs/dbraw/zinc/20/00/90/920200090.db2.gz	DKHFICKEROCCMR-ZBFHGGJFSA-N	1	0	355.442	1.444	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)CCn4cnnn4)C[C@@H]32)cc1	ZINC001085062107	920301585	/nfs/dbraw/zinc/30/15/85/920301585.db2.gz	QUNMWQBTBMKKTM-MSOLQXFVSA-N	1	0	365.441	1.058	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn([C@H]4CCOC4)nn3)C[C@@H]21	ZINC001085070581	920401909	/nfs/dbraw/zinc/40/19/09/920401909.db2.gz	MFYBBKKQELTYPB-RYRKJORJSA-N	1	0	359.474	1.742	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4nocc4C)C[C@@H]32)C1=O	ZINC001085069678	920440078	/nfs/dbraw/zinc/44/00/78/920440078.db2.gz	BSGPVPAAGDBAHB-JYJNAYRXSA-N	1	0	358.442	1.306	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4cnnn4)cc3)C[C@@H]21	ZINC001085088654	920766083	/nfs/dbraw/zinc/76/60/83/920766083.db2.gz	SZYDSWMTGNWWAE-QAPCUYQASA-N	1	0	352.442	1.775	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C[C@@H]21	ZINC001085090944	920775273	/nfs/dbraw/zinc/77/52/73/920775273.db2.gz	RSPXWJCXVRVHKE-LMMKCTJWSA-N	1	0	357.498	1.724	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)N3CCOCC3)C[C@@H]21	ZINC001085098551	920934786	/nfs/dbraw/zinc/93/47/86/920934786.db2.gz	YAFOHWIQEYFALX-YZGWKJHDSA-N	1	0	361.530	1.986	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(F)nc2)C1=O	ZINC001085153388	921832090	/nfs/dbraw/zinc/83/20/90/921832090.db2.gz	QSXCLLLQKLQGNN-BZUAXINKSA-N	1	0	360.433	1.638	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cn(CC3CC3)nn2)[nH]1	ZINC001085174136	921970205	/nfs/dbraw/zinc/97/02/05/921970205.db2.gz	XSPAWBQKLYDLGR-IAGOWNOFSA-N	1	0	367.457	1.719	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2csnc2C)C1=O	ZINC001085176235	922005074	/nfs/dbraw/zinc/00/50/74/922005074.db2.gz	VWMRSBCBZWZLNN-BZUAXINKSA-N	1	0	362.499	1.869	20	30		FDEDRO
Cn1ncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(C#N)ccc2F)c1N	ZINC001085177528	922015558	/nfs/dbraw/zinc/01/55/58/922015558.db2.gz	KZCILYHRALWLKZ-IAGOWNOFSA-N	1	0	370.432	1.844	20	30		FDEDRO
Cn1nncc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001085187729	922076868	/nfs/dbraw/zinc/07/68/68/922076868.db2.gz	TYFZCSUIQIWBHG-HZPDHXFCSA-N	1	0	356.405	1.657	20	30		FDEDRO
Cc1cc(C#N)nc(NC[C@@]2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001065502603	922326921	/nfs/dbraw/zinc/32/69/21/922326921.db2.gz	HVNPZQYUUMNKHO-IDHHARJASA-N	1	0	356.474	1.647	20	30		FDEDRO
C[NH+]1CCC(NC(=S)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1	ZINC000733904269	922492550	/nfs/dbraw/zinc/49/25/50/922492550.db2.gz	INBQJIIUYVRMII-SFHVURJKSA-N	1	0	357.527	1.665	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3c2nccnc2C#N)CC[N@@H+]1C	ZINC001065934480	922501559	/nfs/dbraw/zinc/50/15/59/922501559.db2.gz	HKHSPZXFTNHFPB-NQNKBUKLSA-N	1	0	368.485	1.552	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(c4ccncc4C#N)C[C@H]3C2)CC[N@@H+]1C	ZINC001066079829	922552284	/nfs/dbraw/zinc/55/22/84/922552284.db2.gz	QTOOGSJDJCDCQM-XWTMOSNGSA-N	1	0	353.470	1.578	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3c2ccnc(C#N)n2)CC[N@@H+]1C	ZINC001066202336	922622194	/nfs/dbraw/zinc/62/21/94/922622194.db2.gz	KIEUCTRCCVSEFX-YVSFHVDLSA-N	1	0	368.485	1.648	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1cnn(C)c1	ZINC001085201448	922662726	/nfs/dbraw/zinc/66/27/26/922662726.db2.gz	HRUOGCDGTYLINV-MKXGPGLRSA-N	1	0	360.502	1.961	20	30		FDEDRO
C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)c1=O	ZINC000733992287	922769623	/nfs/dbraw/zinc/76/96/23/922769623.db2.gz	OPHOLVBIBJJLHT-HXUWFJFHSA-N	1	0	372.469	1.324	20	30		FDEDRO
N#CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cn2nccn2)cc1	ZINC001085212070	922795180	/nfs/dbraw/zinc/79/51/80/922795180.db2.gz	GUQCLWBNNIBIGC-QZTJIDSGSA-N	1	0	368.441	1.398	20	30		FDEDRO
CN1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)C1=O	ZINC001085237443	923032910	/nfs/dbraw/zinc/03/29/10/923032910.db2.gz	XYMIUNPZMBADRC-ATZDWAIDSA-N	1	0	368.481	1.944	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCNC2=O)cc1C#N	ZINC001085296076	923656781	/nfs/dbraw/zinc/65/67/81/923656781.db2.gz	MTUCWSHBUALFQN-GVDBMIGSSA-N	1	0	370.453	1.220	20	30		FDEDRO
CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001085301186	923668330	/nfs/dbraw/zinc/66/83/30/923668330.db2.gz	XPALLPURYIYCAE-OAGGEKHMSA-N	1	0	360.483	1.758	20	30		FDEDRO
C[C@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)CCNC1=O	ZINC001085329857	923924127	/nfs/dbraw/zinc/92/41/27/923924127.db2.gz	INFDUZCOUMVFKS-HLIPFELVSA-N	1	0	354.454	1.601	20	30		FDEDRO
Cn1ncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)c(F)c2)n1	ZINC001085362765	924258338	/nfs/dbraw/zinc/25/83/38/924258338.db2.gz	UVAUZGAXYQBCPS-HZPDHXFCSA-N	1	0	356.405	1.657	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cn(C)nn1	ZINC001085398327	924447338	/nfs/dbraw/zinc/44/73/38/924447338.db2.gz	BCJNWNOJWRKDRX-IAGOWNOFSA-N	1	0	368.441	1.053	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnns1	ZINC001085398705	924448512	/nfs/dbraw/zinc/44/85/12/924448512.db2.gz	VSEBMAXQQVRYBJ-HZPDHXFCSA-N	1	0	371.466	1.776	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(=O)n(C)n1	ZINC001085414673	924544573	/nfs/dbraw/zinc/54/45/73/924544573.db2.gz	IRYGQMSFQUUGTD-VXGBXAGGSA-N	1	0	369.263	1.320	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NCc2cnsn2)CC1	ZINC001085432937	924681343	/nfs/dbraw/zinc/68/13/43/924681343.db2.gz	XXRCEHCCTOAXFD-IAGOWNOFSA-N	1	0	361.515	1.400	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1	ZINC000735940346	924686574	/nfs/dbraw/zinc/68/65/74/924686574.db2.gz	OUJYQEVAMPROQH-CYBMUJFWSA-N	1	0	359.382	1.810	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C)CCOCC2)[C@@H](n2ccnn2)C1	ZINC001129321718	925090250	/nfs/dbraw/zinc/09/02/50/925090250.db2.gz	OPBJYCMWJTWEQX-ZACQAIPSSA-N	1	0	361.490	1.791	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)Cc2cc(OC)c(OC)c(OC)c2)CC1	ZINC000740736200	925419952	/nfs/dbraw/zinc/41/99/52/925419952.db2.gz	JDGBKBWLQZILFS-UHFFFAOYSA-N	1	0	360.454	1.859	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)CC1	ZINC000740748309	925435186	/nfs/dbraw/zinc/43/51/86/925435186.db2.gz	CFYKGKAKYCLOON-UHFFFAOYSA-N	1	0	370.453	1.821	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NC(=O)CCCC[NH+](C)C)CC1	ZINC001066353966	925628989	/nfs/dbraw/zinc/62/89/89/925628989.db2.gz	MEJSKXBSFPCBPE-KSZLIROESA-N	1	0	365.518	1.807	20	30		FDEDRO
C[C@@H]1CC(N=Nc2ccc(S(=O)(=O)N3CCCC3)cn2)CC[N@@H+]1C	ZINC000741460349	925776214	/nfs/dbraw/zinc/77/62/14/925776214.db2.gz	OGSUWTWGQKQDKW-CYBMUJFWSA-N	1	0	351.476	1.748	20	30		FDEDRO
CC[N@@H+]1CCC(N=Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])[C@H](C)C1	ZINC000741451700	925779588	/nfs/dbraw/zinc/77/95/88/925779588.db2.gz	UMNFORGNJWJXTR-SNVBAGLBSA-N	1	0	355.420	1.372	20	30		FDEDRO
C[NH+]1CCC2(CCN2C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1	ZINC000742187968	925960205	/nfs/dbraw/zinc/96/02/05/925960205.db2.gz	WEOHPULRPZWNHW-UHFFFAOYSA-N	1	0	350.426	1.636	20	30		FDEDRO
CC#CCN1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@@H](n2ccnn2)C1	ZINC001129326477	926003098	/nfs/dbraw/zinc/00/30/98/926003098.db2.gz	IQRISJNIOHUTLZ-SQNIBIBYSA-N	1	0	360.506	1.009	20	30		FDEDRO
COCCC[NH+]1CCC(Nc2ccc(S(N)(=O)=O)cc2C#N)CC1	ZINC000742399971	926037033	/nfs/dbraw/zinc/03/70/33/926037033.db2.gz	FAQFCJUETMEIOM-UHFFFAOYSA-N	1	0	352.460	1.118	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(C#N)c[nH]2)C1	ZINC001006287850	926250862	/nfs/dbraw/zinc/25/08/62/926250862.db2.gz	YJUYDKKIVPDSON-MMTVNHQJSA-N	1	0	355.442	1.090	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC[C@@H](C)C2)C1	ZINC001086202283	926287359	/nfs/dbraw/zinc/28/73/59/926287359.db2.gz	QXKJAZQKZFGLSI-SFFUCWETSA-N	1	0	363.502	1.320	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1	ZINC001086223531	926353394	/nfs/dbraw/zinc/35/33/94/926353394.db2.gz	USICBIWYYIBUCD-ZMMAXQRCSA-N	1	0	359.470	1.351	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H](C)NC(=O)c2[nH]nc3ccccc32)CC1	ZINC000743492142	926378271	/nfs/dbraw/zinc/37/82/71/926378271.db2.gz	QIZWHOFQWVREIA-AWEZNQCLSA-N	1	0	367.453	1.285	20	30		FDEDRO
Cn1cccc1C(O)=CONC(=[NH2+])c1ccc(N2CCC(O)CC2)cc1	ZINC000744443112	926686523	/nfs/dbraw/zinc/68/65/23/926686523.db2.gz	ROXTYCDAUYSGRV-UHFFFAOYSA-N	1	0	356.426	1.506	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)COC(=O)Cc2ccc(OCC#N)cc2)CC1	ZINC000745000250	926994706	/nfs/dbraw/zinc/99/47/06/926994706.db2.gz	ARTPYQYFOPBSJU-UHFFFAOYSA-N	1	0	373.453	1.664	20	30		FDEDRO
C#CCN(CC#CC)C(=O)NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C	ZINC000745290362	927162806	/nfs/dbraw/zinc/16/28/06/927162806.db2.gz	XRRHCPITRUOLQH-QGZVFWFLSA-N	1	0	357.454	1.975	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@]34CCC[C@H]3OCC4)C2)C1=O	ZINC001086426837	927168173	/nfs/dbraw/zinc/16/81/73/927168173.db2.gz	MBLOGFYUVITZNY-RXFYRGCNSA-N	1	0	361.486	1.217	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@]1(C)C[N@H+](CCCCCOC)CCO1	ZINC001108275119	927208177	/nfs/dbraw/zinc/20/81/77/927208177.db2.gz	XUJDUIWVBBGLQN-BJLQDIEVSA-N	1	0	368.518	1.991	20	30		FDEDRO
CN(C)c1ccc(C(N)=[NH+]OCC(=O)NCc2ccc(C#N)cc2)cc1	ZINC000746095591	927606944	/nfs/dbraw/zinc/60/69/44/927606944.db2.gz	VKUVYDKZLVLQSP-UHFFFAOYSA-N	1	0	351.410	1.578	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1	ZINC000746207671	927668797	/nfs/dbraw/zinc/66/87/97/927668797.db2.gz	RXOALYCRCUTXLW-NRFANRHFSA-N	1	0	365.433	1.842	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2nnc(C)n2CC)C1	ZINC001086504014	927711436	/nfs/dbraw/zinc/71/14/36/927711436.db2.gz	YYXKWRWJUSHYMK-OVWQWFNUSA-N	1	0	361.490	1.572	20	30		FDEDRO
C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cnn(CC#N)c2)C1	ZINC000746377811	927926588	/nfs/dbraw/zinc/92/65/88/927926588.db2.gz	PDBFJXUUQALOLQ-GDBMZVCRSA-N	1	0	366.425	1.297	20	30		FDEDRO
COC(=O)c1cn(C2CC[NH+](C[C@@H](O)c3cccc(C#N)c3)CC2)nn1	ZINC001169090462	928276117	/nfs/dbraw/zinc/27/61/17/928276117.db2.gz	GTQAWDCTENWDGV-QGZVFWFLSA-N	1	0	355.398	1.307	20	30		FDEDRO
C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CC[C@](C)(C#N)C1	ZINC001169218193	928348461	/nfs/dbraw/zinc/34/84/61/928348461.db2.gz	NLPLCNNGDWCCSF-AUUYWEPGSA-N	1	0	372.473	1.228	20	30		FDEDRO
N#Cc1c2c(cn(CN3CC[NH+](CC4CCOCC4)CC3)c1=O)CCC2	ZINC000766636656	928372628	/nfs/dbraw/zinc/37/26/28/928372628.db2.gz	IKRMAGPQEAXRJV-UHFFFAOYSA-N	1	0	356.470	1.210	20	30		FDEDRO
C=CCN1CCN(C)C2(CC[NH+]([C@@H]3CCCC4(C3)OCCO4)CC2)C1=O	ZINC001169951729	928974890	/nfs/dbraw/zinc/97/48/90/928974890.db2.gz	YIQCNLULBVRTJB-QGZVFWFLSA-N	1	0	363.502	1.467	20	30		FDEDRO
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000767459747	929296989	/nfs/dbraw/zinc/29/69/89/929296989.db2.gz	ALDMFUWINZQUNK-ZWKOTPCHSA-N	1	0	370.453	1.186	20	30		FDEDRO
N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cc1ccccc1	ZINC001108952064	929567891	/nfs/dbraw/zinc/56/78/91/929567891.db2.gz	MXVIVJVEABABRK-BDXSIMOUSA-N	1	0	359.495	1.568	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2	ZINC001109519951	929642739	/nfs/dbraw/zinc/64/27/39/929642739.db2.gz	BIYWFPUXSKCVMG-DHXZDTOLSA-N	1	0	367.453	1.360	20	30		FDEDRO
C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCCNc1ccc(C#N)cn1	ZINC000745529774	930015906	/nfs/dbraw/zinc/01/59/06/930015906.db2.gz	RGFDJVIOZXPOEG-INIZCTEOSA-N	1	0	360.462	1.117	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCO[C@H]2CCOC2)c1	ZINC001109697249	930142119	/nfs/dbraw/zinc/14/21/19/930142119.db2.gz	XBJBXOZBRCSQJQ-FYQPLNBISA-N	1	0	369.465	1.594	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2cn[nH]n2)C3)c1	ZINC001109736977	930301802	/nfs/dbraw/zinc/30/18/02/930301802.db2.gz	ORRWXDFEHPNHSK-SQNIBIBYSA-N	1	0	350.426	1.531	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2	ZINC001109796944	930464021	/nfs/dbraw/zinc/46/40/21/930464021.db2.gz	NEBKFNYPQGVFMM-BDXSIMOUSA-N	1	0	362.518	1.275	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C1CC1)C2	ZINC001109809758	930483962	/nfs/dbraw/zinc/48/39/62/930483962.db2.gz	ZLSWBGWRCRGKMF-OWSLCNJRSA-N	1	0	361.486	1.312	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cncc(N3CCCC3)n1)C2	ZINC001109802785	930491543	/nfs/dbraw/zinc/49/15/43/930491543.db2.gz	IVVYPKFBPZGSSW-RYRKJORJSA-N	1	0	371.485	1.615	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCC(F)F	ZINC001109826782	930531457	/nfs/dbraw/zinc/53/14/57/930531457.db2.gz	YGZHQAMCXYMHGY-MDLJMBGESA-N	1	0	358.429	1.971	20	30		FDEDRO
CNC(=O)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)CC1	ZINC001109837014	930570960	/nfs/dbraw/zinc/57/09/60/930570960.db2.gz	NQBZHTRUIPBICS-IKGGRYGDSA-N	1	0	352.438	1.306	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)N1CCOCC1)C2	ZINC001109843650	930577099	/nfs/dbraw/zinc/57/70/99/930577099.db2.gz	WDICBOWHVQDTES-IKGGRYGDSA-N	1	0	351.491	1.021	20	30		FDEDRO
C#C[C@@H](C)[NH2+][C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1	ZINC001170027976	930723291	/nfs/dbraw/zinc/72/32/91/930723291.db2.gz	XYXREVQNNVQFDM-MCIONIFRSA-N	1	0	353.488	1.509	20	30		FDEDRO
Cn1ncc2c1ncnc2[N-][NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000771551126	930736844	/nfs/dbraw/zinc/73/68/44/930736844.db2.gz	RBUHJNODNRETJV-UHFFFAOYSA-N	1	0	350.430	1.561	20	30		FDEDRO
COCCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1	ZINC001109946895	930869316	/nfs/dbraw/zinc/86/93/16/930869316.db2.gz	DFCAMMSEKPCXNG-QYZOEREBSA-N	1	0	357.454	1.833	20	30		FDEDRO
N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[NH2+][C@H](CCO)C2CC2)CC1	ZINC000771799088	930896335	/nfs/dbraw/zinc/89/63/35/930896335.db2.gz	JIRHOLWTABTTTB-MOPGFXCFSA-N	1	0	374.460	1.285	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccccc1C(N)=O)C2	ZINC001109981352	930948132	/nfs/dbraw/zinc/94/81/32/930948132.db2.gz	PSKBRQQWXGHWHS-NEWSRXKRSA-N	1	0	371.481	1.642	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCO[C@H]2CCOC2)cn1	ZINC001110001271	931011443	/nfs/dbraw/zinc/01/14/43/931011443.db2.gz	UQHWFOFBCGOYJX-FYQPLNBISA-N	1	0	369.465	1.594	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2ccsc2C(=O)OC)CC1	ZINC000772111332	931079635	/nfs/dbraw/zinc/07/96/35/931079635.db2.gz	YWIMSLGQGROKAZ-UHFFFAOYSA-N	1	0	364.423	1.362	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1	ZINC000772134065	931094030	/nfs/dbraw/zinc/09/40/30/931094030.db2.gz	QVZBREYAWIIPEB-UHFFFAOYSA-N	1	0	359.382	1.730	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNS(=O)(=O)CCCC)C2	ZINC001110043077	931221725	/nfs/dbraw/zinc/22/17/25/931221725.db2.gz	UWWDMJGRYKPXFV-YVSFHVDLSA-N	1	0	371.547	1.782	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1NC(=O)NC1=O)C2	ZINC001110077416	931412297	/nfs/dbraw/zinc/41/22/97/931412297.db2.gz	TUTKJIWNVOKBSS-WCVJEAGWSA-N	1	0	362.474	1.443	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@]1(C)CCCS1(=O)=O)C2	ZINC001112543943	931414665	/nfs/dbraw/zinc/41/46/65/931414665.db2.gz	FUUOIJKQAXCOKT-SZMVWBNQSA-N	1	0	354.516	1.748	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1nc3ncccn3n1)C2	ZINC001112549426	931514791	/nfs/dbraw/zinc/51/47/91/931514791.db2.gz	YBOJPEGGUGFQQY-KXBFYZLASA-N	1	0	354.458	1.922	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(S(C)(=O)=O)CCC1)C2	ZINC001112554640	931524076	/nfs/dbraw/zinc/52/40/76/931524076.db2.gz	CEAUHSMXWCTOAQ-RDJZCZTQSA-N	1	0	354.516	1.748	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnoc1C1CC1)C2	ZINC001112555179	931555091	/nfs/dbraw/zinc/55/50/91/931555091.db2.gz	DREJGTTWFOGNJQ-YWZLYKJASA-N	1	0	370.453	1.133	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(Cn3cccn3)on1)C2	ZINC001112559965	931566920	/nfs/dbraw/zinc/56/69/20/931566920.db2.gz	YMZQTEFQFUGBMH-JXFKEZNVSA-N	1	0	367.453	1.775	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CCCS(=O)(=O)C1)C2	ZINC001112558420	931578341	/nfs/dbraw/zinc/57/83/41/931578341.db2.gz	GKJPRAGQIOGUGJ-AOIWGVFYSA-N	1	0	368.543	1.996	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn(CC)cn1)C2	ZINC001112563548	931603662	/nfs/dbraw/zinc/60/36/62/931603662.db2.gz	AHXFOHWZBHOTLZ-KXBFYZLASA-N	1	0	359.474	1.037	20	30		FDEDRO
COc1cccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)c1	ZINC001112568804	931633474	/nfs/dbraw/zinc/63/34/74/931633474.db2.gz	NMHMFBAAPHWXJM-JXFKEZNVSA-N	1	0	370.453	1.167	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc3n[nH]nc3c1)C2	ZINC001112577088	931690121	/nfs/dbraw/zinc/69/01/21/931690121.db2.gz	ZLBNAOZXXNSSEU-JXFKEZNVSA-N	1	0	369.469	1.992	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CS(=O)(=O)C(C)C)C2	ZINC001112581552	931743832	/nfs/dbraw/zinc/74/38/32/931743832.db2.gz	VCEHTSZMDONRHS-HOCLYGCPSA-N	1	0	362.923	1.780	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCS(=O)(=O)N(C)C)C2	ZINC001112584078	931758373	/nfs/dbraw/zinc/75/83/73/931758373.db2.gz	ZCJHDSVEOHDFOK-RDJZCZTQSA-N	1	0	357.520	1.062	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CS(=O)(=O)C(C)C)C2	ZINC001112580774	931762749	/nfs/dbraw/zinc/76/27/49/931762749.db2.gz	DOTRNTIQWZBUMP-WMZOPIPTSA-N	1	0	356.532	1.994	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1c(C)c(C)sc1=O)C2	ZINC001112585909	931768145	/nfs/dbraw/zinc/76/81/45/931768145.db2.gz	YOABAFDFWPTHPQ-LPHOPBHVSA-N	1	0	361.511	1.768	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3nncn3C1)C2	ZINC001112584149	931782240	/nfs/dbraw/zinc/78/22/40/931782240.db2.gz	CYRMJLQEWOJORS-VKJFTORMSA-N	1	0	363.893	1.811	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1ccc(C)o1)C2	ZINC001112585032	931787732	/nfs/dbraw/zinc/78/77/32/931787732.db2.gz	WMLSCLZKNYEVEN-UWJYYQICSA-N	1	0	371.481	1.488	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCCC2=O)C1	ZINC001112589567	931806963	/nfs/dbraw/zinc/80/69/63/931806963.db2.gz	GRYRPGIUQSTJKZ-UWVAXJGDSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCNC(=O)[C@H]1CCCO1)C2	ZINC001112592486	931828461	/nfs/dbraw/zinc/82/84/61/931828461.db2.gz	RNKQHCHDJILVDO-QKLQHJQFSA-N	1	0	363.502	1.466	20	30		FDEDRO
C#CC[C@H](CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1)c1ccccc1	ZINC001112593160	931844111	/nfs/dbraw/zinc/84/41/11/931844111.db2.gz	ZBGXFAQBBHNIJI-DXIQSLLYSA-N	1	0	367.493	1.887	20	30		FDEDRO
N#CCc1cccc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)n1	ZINC001170066755	932141302	/nfs/dbraw/zinc/14/13/02/932141302.db2.gz	RYDBDJZMRRZNJL-UHFFFAOYSA-N	1	0	367.434	1.850	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)c1	ZINC000787194264	932222323	/nfs/dbraw/zinc/22/23/23/932222323.db2.gz	XSWQTHUEFMDUGV-UHFFFAOYSA-N	1	0	372.444	1.837	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(=O)n(CCC)n1)C2	ZINC001110083699	932291701	/nfs/dbraw/zinc/29/17/01/932291701.db2.gz	QOXKSZGHOYQSRN-PVAVHDDUSA-N	1	0	360.458	1.191	20	30		FDEDRO
C#CCCCNC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1	ZINC000787856555	932454659	/nfs/dbraw/zinc/45/46/59/932454659.db2.gz	SNVABXMRYIBHOT-LJQANCHMSA-N	1	0	370.497	1.011	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)n1	ZINC000789030379	932919764	/nfs/dbraw/zinc/91/97/64/932919764.db2.gz	JREKEJRBXPUVCZ-KRWDZBQOSA-N	1	0	373.501	1.549	20	30		FDEDRO
C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)C1	ZINC000746802536	932995681	/nfs/dbraw/zinc/99/56/81/932995681.db2.gz	DEUROFIZOMRAAV-INIZCTEOSA-N	1	0	370.453	1.718	20	30		FDEDRO
CCCCCCC[NH+]1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CC1	ZINC001113120514	933187136	/nfs/dbraw/zinc/18/71/36/933187136.db2.gz	BGBDXBAWLINYKY-SJORKVTESA-N	1	0	353.507	1.914	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CCNS(=O)(=O)CC(C)(C)C#N)cc1	ZINC000790017031	933318854	/nfs/dbraw/zinc/31/88/54/933318854.db2.gz	DNTPLRRTKQGHCI-UHFFFAOYSA-N	1	0	353.488	1.639	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1	ZINC000790109895	933357594	/nfs/dbraw/zinc/35/75/94/933357594.db2.gz	GYPHBGVFFMRIKW-OAQYLSRUSA-N	1	0	366.465	1.502	20	30		FDEDRO
COC(=O)C[C@@]1([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCCOC1	ZINC000790339743	933495710	/nfs/dbraw/zinc/49/57/10/933495710.db2.gz	OOAKMFXJUOTPBI-PXNSSMCTSA-N	1	0	371.437	1.756	20	30		FDEDRO
C#CCN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccsc1	ZINC000790735336	933721931	/nfs/dbraw/zinc/72/19/31/933721931.db2.gz	DEDUGRHRFUOQKM-CYBMUJFWSA-N	1	0	364.496	1.381	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CCN(C)C2=O)C1	ZINC001086593825	933846898	/nfs/dbraw/zinc/84/68/98/933846898.db2.gz	PYVKJSYMPZSFCM-CEXWTWQISA-N	1	0	353.466	1.462	20	30		FDEDRO
C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn3c(n2)COCC3)C1	ZINC001086595038	933882722	/nfs/dbraw/zinc/88/27/22/933882722.db2.gz	HIOKTKDWRCFYHI-DLBZAZTESA-N	1	0	352.438	1.797	20	30		FDEDRO
C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1	ZINC001086596269	933928458	/nfs/dbraw/zinc/92/84/58/933928458.db2.gz	SXHXTVRLAUSFLA-YESZJQIVSA-N	1	0	367.453	1.316	20	30		FDEDRO
C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1	ZINC001086596268	933928671	/nfs/dbraw/zinc/92/86/71/933928671.db2.gz	SXHXTVRLAUSFLA-IXDOHACOSA-N	1	0	367.453	1.316	20	30		FDEDRO
C#CCCCS(=O)(=O)NCc1ccccc1C[NH+]1CCC(O)CC1	ZINC000791423724	934012694	/nfs/dbraw/zinc/01/26/94/934012694.db2.gz	ZUEQXQCUMNMRNM-UHFFFAOYSA-N	1	0	350.484	1.476	20	30		FDEDRO
C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1	ZINC001086600412	934082294	/nfs/dbraw/zinc/08/22/94/934082294.db2.gz	RNCRBJFHTNMQNI-OKZBNKHCSA-N	1	0	365.437	1.136	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2coc(C(N)=O)c2)C1	ZINC001086600622	934092461	/nfs/dbraw/zinc/09/24/61/934092461.db2.gz	FTHUQEFGJUGDCP-DLBZAZTESA-N	1	0	351.406	1.600	20	30		FDEDRO
C[N@@H+]1CC[C@]2(CCN(CN3CC(=O)N(Cc4ccc(C#N)cc4)C3=O)C2)C1	ZINC000793763633	934252763	/nfs/dbraw/zinc/25/27/63/934252763.db2.gz	DJCSRTJPFQYRCG-FQEVSTJZSA-N	1	0	367.453	1.308	20	30		FDEDRO
CCOC(=O)CN(CC[NH3+])c1ncc(F)c(Oc2ccc(C#N)cc2)n1	ZINC001170992189	945072919	/nfs/dbraw/zinc/07/29/19/945072919.db2.gz	BDSAGTCTWSUKSL-UHFFFAOYSA-N	1	0	359.361	1.608	20	30		FDEDRO
CCOC(=O)CN(CC[NH3+])c1cc(/C=N/[S@](=O)C(C)(C)C)cc(C)n1	ZINC001170993954	945096822	/nfs/dbraw/zinc/09/68/22/945096822.db2.gz	FOOWFGMOSSJOJO-LDEFBTGCSA-N	1	0	368.503	1.599	20	30		FDEDRO
CCC[NH+]1CCC(CNC(=O)C(=O)NCc2cc(C#N)ccc2F)CC1	ZINC000793828316	938324809	/nfs/dbraw/zinc/32/48/09/938324809.db2.gz	YTQUCPSCUSTQJU-UHFFFAOYSA-N	1	0	360.433	1.552	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn(CC3CC3)nn2)C1	ZINC001086617470	938325621	/nfs/dbraw/zinc/32/56/21/938325621.db2.gz	HDTKNJJMIAPFHX-RBUKOAKNSA-N	1	0	363.465	1.909	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1	ZINC000793910819	938337108	/nfs/dbraw/zinc/33/71/08/938337108.db2.gz	KKLWWUKTXVUBPW-NSHDSACASA-N	1	0	360.296	1.638	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1c1ccccc1	ZINC001086619159	938354226	/nfs/dbraw/zinc/35/42/26/938354226.db2.gz	BQULOUYIEZSHGR-ZWKOTPCHSA-N	1	0	367.449	1.837	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Oc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129412806	938408578	/nfs/dbraw/zinc/40/85/78/938408578.db2.gz	XTMCITJWBXZRLS-NXHRZFHOSA-N	1	0	355.442	1.663	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)COc2ccc(C)cc2)[C@@H](n2ccnn2)C1	ZINC001129421579	938410999	/nfs/dbraw/zinc/41/09/99/938410999.db2.gz	ABXYVFMROYSIGK-MOPGFXCFSA-N	1	0	369.469	1.973	20	30		FDEDRO
O=C(CC#Cc1ccccc1)N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1n1ccnn1	ZINC001129449303	938419398	/nfs/dbraw/zinc/41/93/98/938419398.db2.gz	KZFUESQHIOHHOZ-UXHICEINSA-N	1	0	363.465	1.862	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](F)Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129453781	938421087	/nfs/dbraw/zinc/42/10/87/938421087.db2.gz	JEQKBYCBRMLCPJ-KURKYZTESA-N	1	0	357.433	1.777	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH]nc3C2)[C@@H](n2ccnn2)C1	ZINC001129441311	938427206	/nfs/dbraw/zinc/42/72/06/938427206.db2.gz	QQVPNWIINWZHFS-QGTPRVQTSA-N	1	0	369.473	1.114	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)[C@@H](n2ccnn2)C1	ZINC001129470011	938429662	/nfs/dbraw/zinc/42/96/62/938429662.db2.gz	ALOXYVYULMDRLT-PTQIDZKGSA-N	1	0	355.486	1.878	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)CN(C)Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129484916	938440255	/nfs/dbraw/zinc/44/02/55/938440255.db2.gz	PLFVVUHZNSXTDB-MOPGFXCFSA-N	1	0	368.485	1.328	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2c(C)noc2C)C[C@@H]1n1ccnn1	ZINC001129556269	938452830	/nfs/dbraw/zinc/45/28/30/938452830.db2.gz	LONFXEIMUXCFDF-WQVCFCJDSA-N	1	0	358.446	1.893	20	30		FDEDRO
COCCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H](n2ccnn2)C1	ZINC001129664752	938477879	/nfs/dbraw/zinc/47/78/79/938477879.db2.gz	QZZKMUTUUCGHLN-MSOLQXFVSA-N	1	0	368.441	1.118	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CCCOCC)[C@@H](n2ccnn2)C1	ZINC001129656876	938483303	/nfs/dbraw/zinc/48/33/03/938483303.db2.gz	XDDHJKSNAPDZSI-ZACQAIPSSA-N	1	0	365.478	1.027	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)[C@@H](n2ccnn2)C1	ZINC001129681023	938483938	/nfs/dbraw/zinc/48/39/38/938483938.db2.gz	JHXTUHNMYWTOPX-ZNMIVQPWSA-N	1	0	369.416	1.258	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]([NH2+]CC2CC3(CCC3)C2)[C@@H](n2ccnn2)C1	ZINC001129681222	938484145	/nfs/dbraw/zinc/48/41/45/938484145.db2.gz	LNCNYDQBIZFLIY-SJORKVTESA-N	1	0	359.474	1.403	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2n[nH]c(C)c2C)C[C@@H]1n1ccnn1	ZINC001129690589	938486170	/nfs/dbraw/zinc/48/61/70/938486170.db2.gz	KTGMLSIRYMOYTI-MAZHCROVSA-N	1	0	357.462	1.628	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cnn(CC)c2)C[C@@H]1n1ccnn1	ZINC001129699191	938488227	/nfs/dbraw/zinc/48/82/27/938488227.db2.gz	MYWASJUROWUYTO-MSOLQXFVSA-N	1	0	371.489	1.896	20	30		FDEDRO
C#CCNc1nc(NCC2(CO)CCC2)[nH+]c(NCC2(CO)CCC2)n1	ZINC000804613044	938489092	/nfs/dbraw/zinc/48/90/92/938489092.db2.gz	JSFMHJCVHNDYNS-UHFFFAOYSA-N	1	0	360.462	1.066	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H]([NH2+]Cc2ccsc2)[C@@H](n2ccnn2)C1	ZINC001129795365	938509020	/nfs/dbraw/zinc/50/90/20/938509020.db2.gz	GVKMHTLFORFFNJ-VYDXJSESSA-N	1	0	361.471	1.208	20	30		FDEDRO
CC(C)C[C@H](C)C[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1n1ccnn1	ZINC001129778144	938513826	/nfs/dbraw/zinc/51/38/26/938513826.db2.gz	OJHTXMDGKDFKLI-QGTPRVQTSA-N	1	0	369.473	1.815	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2=CCCCCC2)C[C@@H]1n1ccnn1	ZINC001129782429	938515072	/nfs/dbraw/zinc/51/50/72/938515072.db2.gz	KFZATSPSCMOYBS-MSOLQXFVSA-N	1	0	359.474	1.713	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C2(CCOCC)CCC2)C[C@@H]1n1ccnn1	ZINC001129844663	938525312	/nfs/dbraw/zinc/52/53/12/938525312.db2.gz	HRADFMYOCPWZIQ-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCO[C@@H](C)CC(C)C)C[C@@H]1n1ccnn1	ZINC001129845690	938525510	/nfs/dbraw/zinc/52/55/10/938525510.db2.gz	SAUDQKZILKUJHM-KSZLIROESA-N	1	0	361.490	1.484	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2ccncc2C)C[C@@H]1n1ccnn1	ZINC001129845614	938525573	/nfs/dbraw/zinc/52/55/73/938525573.db2.gz	QSXFWNHBDQWOKX-MSOLQXFVSA-N	1	0	354.458	1.532	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)CCC3)C[C@@H]1n1ccnn1	ZINC001129856173	938529064	/nfs/dbraw/zinc/52/90/64/938529064.db2.gz	ZOOZMUSCMIOCLA-UXLLHSPISA-N	1	0	369.473	1.431	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C)N2CCCCC2=O)C1	ZINC001086625534	938530493	/nfs/dbraw/zinc/53/04/93/938530493.db2.gz	HQPWYJMBETWJIB-YSIASYRMSA-N	1	0	367.493	1.995	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)C1=O	ZINC001129865223	938532486	/nfs/dbraw/zinc/53/24/86/938532486.db2.gz	GQZZEZAKGIJWBZ-MCIONIFRSA-N	1	0	361.408	1.848	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H]([NH2+]CC2CC3(CCC3)C2)[C@@H](n2ccnn2)C1	ZINC001129838183	938535358	/nfs/dbraw/zinc/53/53/58/938535358.db2.gz	TXOQJDBAXCOIFY-MSOLQXFVSA-N	1	0	371.485	1.240	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2(c3ccc(F)cc3)CC2)C[C@@H]1n1ccnn1	ZINC001129887840	938540584	/nfs/dbraw/zinc/54/05/84/938540584.db2.gz	TZQHNDOCCRGOLY-MSOLQXFVSA-N	1	0	367.428	1.514	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc3cc(C)ccn32)C[C@@H]1n1ccnn1	ZINC001129872521	938545390	/nfs/dbraw/zinc/54/53/90/938545390.db2.gz	XNHDQJQFONELFZ-WBVHZDCISA-N	1	0	365.441	1.466	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2ccnn2C)C[C@@H]1n1ccnn1	ZINC001129876134	938546441	/nfs/dbraw/zinc/54/64/41/938546441.db2.gz	CEIJGNXSARQFBC-NXHRZFHOSA-N	1	0	371.489	1.341	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H]([NH2+]CCn2cccn2)[C@@H](n2ccnn2)C1	ZINC001129876656	938547042	/nfs/dbraw/zinc/54/70/42/938547042.db2.gz	VEHINILTSBIEHA-CVEARBPZSA-N	1	0	357.462	1.119	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2cnc(C)c2)C[C@@H]1n1ccnn1	ZINC001129910081	938549696	/nfs/dbraw/zinc/54/96/96/938549696.db2.gz	CBKQZLNWNQJWIY-SJORKVTESA-N	1	0	371.489	1.526	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C(CC)CC)C[C@@H]1n1ccnn1	ZINC001129917467	938554456	/nfs/dbraw/zinc/55/44/56/938554456.db2.gz	TWMZTTIFQWHNFY-JQHSSLGASA-N	1	0	363.506	1.895	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]([NH2+]CCC(=C)C)[C@@H](n2ccnn2)C1	ZINC001129894682	938556110	/nfs/dbraw/zinc/55/61/10/938556110.db2.gz	PFMXYAGTSRLVFC-AEFFLSMTSA-N	1	0	354.458	1.887	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3cc(F)ccc32)C[C@@H]1n1ccnn1	ZINC001129931934	938561949	/nfs/dbraw/zinc/56/19/49/938561949.db2.gz	GLGIESJGPDKWSW-QRVBRYPASA-N	1	0	367.428	1.512	20	30		FDEDRO
CC1(CC(=O)N2C[C@@H]([NH2+]CC#Cc3ccccc3)[C@@H](n3ccnn3)C2)CC1	ZINC001129937841	938564751	/nfs/dbraw/zinc/56/47/51/938564751.db2.gz	HYZNVKUSQRWJHR-MOPGFXCFSA-N	1	0	363.465	1.862	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@@H]1n1ccnn1	ZINC001129918569	938567166	/nfs/dbraw/zinc/56/71/66/938567166.db2.gz	FDNWWFSZPFGWCL-XYPHTWIQSA-N	1	0	369.473	1.500	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2C(C)C)C[C@@H]1n1ccnn1	ZINC001129920997	938568337	/nfs/dbraw/zinc/56/83/37/938568337.db2.gz	JIVYFTVGKNRYDE-CVEARBPZSA-N	1	0	357.462	1.746	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000804760221	938568839	/nfs/dbraw/zinc/56/88/39/938568839.db2.gz	HUGIQPMZSAKICW-MRXNPFEDSA-N	1	0	366.506	1.258	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccnc2C2CC2)C[C@@H]1n1ccnn1	ZINC001129923560	938569192	/nfs/dbraw/zinc/56/91/92/938569192.db2.gz	KAHOHPLPLVSSEJ-SJORKVTESA-N	1	0	350.426	1.229	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2coc(OCC)n2)C[C@@H]1n1ccnn1	ZINC001129923522	938569225	/nfs/dbraw/zinc/56/92/25/938569225.db2.gz	HEOBRSXRNSKSJI-HIFRSBDPSA-N	1	0	360.418	1.286	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2cc(C)ccc2OC)C[C@@H]1n1ccnn1	ZINC001129928903	938572560	/nfs/dbraw/zinc/57/25/60/938572560.db2.gz	UKHUKPWNIIEUFN-MSOLQXFVSA-N	1	0	367.453	1.203	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCc2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001129949124	938574081	/nfs/dbraw/zinc/57/40/81/938574081.db2.gz	QFFVJNMNJNMRBE-QRQLOZEOSA-N	1	0	369.469	1.719	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(C(N)=O)nc2)C1	ZINC001086626266	938574429	/nfs/dbraw/zinc/57/44/29/938574429.db2.gz	FFEASNXAIRSHPH-PKOBYXMFSA-N	1	0	364.449	1.954	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC=CCC2)C[C@@H]1n1ccnn1	ZINC001129959448	938578364	/nfs/dbraw/zinc/57/83/64/938578364.db2.gz	XDJVAUNOVQFMKM-KURKYZTESA-N	1	0	357.458	1.016	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H]([NH2+]Cc2ccnn2C)[C@@H](n2ccnn2)C1	ZINC001129959477	938578372	/nfs/dbraw/zinc/57/83/72/938578372.db2.gz	ZFIBSPYKJWMXII-MSOLQXFVSA-N	1	0	369.473	1.137	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCOC2)[C@@H](n2ccnn2)C1	ZINC001129972822	938591533	/nfs/dbraw/zinc/59/15/33/938591533.db2.gz	NQRSAOWSSGEDRC-KURKYZTESA-N	1	0	359.474	1.240	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H]([NH2+]CCOCC(C)C)[C@@H](n2ccnn2)C1	ZINC001129995687	938604339	/nfs/dbraw/zinc/60/43/39/938604339.db2.gz	CZNHBQNMLIGDOE-ZIFCJYIRSA-N	1	0	363.506	1.895	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@@H]1n1ccnn1	ZINC001130014934	938616182	/nfs/dbraw/zinc/61/61/82/938616182.db2.gz	IIAOKIINUGJPRU-OLZOCXBDSA-N	1	0	357.380	1.928	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2CCC(F)(F)CC2)C[C@@H]1n1ccnn1	ZINC001130020741	938619928	/nfs/dbraw/zinc/61/99/28/938619928.db2.gz	VDLXRLFPUCQJNI-CABCVRRESA-N	1	0	351.401	1.468	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H]([NH2+]CCOCC(F)F)[C@@H](n2ccnn2)C1	ZINC001130023122	938621354	/nfs/dbraw/zinc/62/13/54/938621354.db2.gz	WUKCUMNXZCQTKZ-KGLIPLIRSA-N	1	0	371.432	1.504	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2[nH]c(C)nc2C)C[C@@H]1n1ccnn1	ZINC001130009649	938626418	/nfs/dbraw/zinc/62/64/18/938626418.db2.gz	ZHQQNZBRXUYAAC-WQVCFCJDSA-N	1	0	357.462	1.628	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2c(C)noc2C)C[C@@H]1n1ccnn1	ZINC001130040811	938627179	/nfs/dbraw/zinc/62/71/79/938627179.db2.gz	MNGRODROVHFKFH-WQVCFCJDSA-N	1	0	356.430	1.051	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2snnc2C(C)C)C[C@@H]1n1ccnn1	ZINC001130050256	938637257	/nfs/dbraw/zinc/63/72/57/938637257.db2.gz	PTOUVHOFLGPMPK-OLZOCXBDSA-N	1	0	361.475	1.484	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2coc3ccccc23)C[C@@H]1n1ccnn1	ZINC001130057048	938641247	/nfs/dbraw/zinc/64/12/47/938641247.db2.gz	GIBRNJWMTBMMSX-MSOLQXFVSA-N	1	0	363.421	1.632	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc3c2ccn3C)C[C@@H]1n1ccnn1	ZINC001130044158	938643312	/nfs/dbraw/zinc/64/33/12/938643312.db2.gz	TZDUDJHZEVWDDJ-MJGOQNOKSA-N	1	0	362.437	1.448	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCN(C)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130047149	938646344	/nfs/dbraw/zinc/64/63/44/938646344.db2.gz	YXMFEXYGWQBUBL-MOPGFXCFSA-N	1	0	368.485	1.722	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2coc(CC3CC3)n2)C[C@@H]1n1ccnn1	ZINC001130062810	938651246	/nfs/dbraw/zinc/65/12/46/938651246.db2.gz	YJSAALKYHPGDNR-ZBFHGGJFSA-N	1	0	356.430	1.450	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cc2cncn2C)C[C@@H]1n1ccnn1	ZINC001130086157	938667385	/nfs/dbraw/zinc/66/73/85/938667385.db2.gz	NUAATMQPTVKRGL-MSOLQXFVSA-N	1	0	371.489	1.342	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@@H](CC)C(C)C)C[C@@H]1n1ccnn1	ZINC001130096187	938680666	/nfs/dbraw/zinc/68/06/66/938680666.db2.gz	AEWWDWMMFDZLNS-KURKYZTESA-N	1	0	363.506	1.895	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130099338	938681968	/nfs/dbraw/zinc/68/19/68/938681968.db2.gz	BBDCCWQYZZSYAH-MANSERQUSA-N	1	0	351.454	1.999	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc(N(C)C)c2)C[C@@H]1n1ccnn1	ZINC001130102366	938684497	/nfs/dbraw/zinc/68/44/97/938684497.db2.gz	VHKRINLKCXDPDH-MSOLQXFVSA-N	1	0	354.458	1.576	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3cccnc3C2)C[C@@H]1n1ccnn1	ZINC001130105027	938685623	/nfs/dbraw/zinc/68/56/23/938685623.db2.gz	HEICDEZONMDOQL-QRQLOZEOSA-N	1	0	366.469	1.396	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C3CC3)cn2)C[C@@H]1n1ccnn1	ZINC001130106996	938686894	/nfs/dbraw/zinc/68/68/94/938686894.db2.gz	CLNFCGSPVXZQRZ-MSOLQXFVSA-N	1	0	350.426	1.229	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130109581	938688411	/nfs/dbraw/zinc/68/84/11/938688411.db2.gz	BRNHZPCPZGTBKI-QRQLOZEOSA-N	1	0	369.469	1.453	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2cncn2C)C[C@@H]1n1ccnn1	ZINC001130109934	938688716	/nfs/dbraw/zinc/68/87/16/938688716.db2.gz	LUWKGKAAMZWJEJ-JQHSSLGASA-N	1	0	371.489	1.341	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n2ccnn2)C1	ZINC001130110185	938689286	/nfs/dbraw/zinc/68/92/86/938689286.db2.gz	YZUAQWXZLOCGQG-JJEILDCCSA-N	1	0	369.856	1.596	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(C)c2C)C[C@@H]1n1ccnn1	ZINC001130112240	938690994	/nfs/dbraw/zinc/69/09/94/938690994.db2.gz	SSWVNMIBYWEWHN-MOPGFXCFSA-N	1	0	367.453	1.200	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)CCCC3)C[C@@H]1n1ccnn1	ZINC001130112583	938692302	/nfs/dbraw/zinc/69/23/02/938692302.db2.gz	HNWPLTKRIJRMSO-UXHICEINSA-N	1	0	363.465	1.836	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2nccs2)C[C@@H]1n1ccnn1	ZINC001130129759	938699197	/nfs/dbraw/zinc/69/91/97/938699197.db2.gz	VKXUYWBPHYSHKO-CABCVRRESA-N	1	0	360.487	1.675	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(OC(C)C)cc2)C[C@@H]1n1ccnn1	ZINC001130119255	938702266	/nfs/dbraw/zinc/70/22/66/938702266.db2.gz	ZTNNUHVDCLHGDD-MOPGFXCFSA-N	1	0	367.453	1.744	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COc2ccc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001130121015	938703704	/nfs/dbraw/zinc/70/37/04/938703704.db2.gz	IRBPOMMILMHFIM-MSOLQXFVSA-N	1	0	367.453	1.339	20	30		FDEDRO
CC(C)C[NH2+][C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130133734	938708270	/nfs/dbraw/zinc/70/82/70/938708270.db2.gz	ALYNHGKARSSRGS-MOPGFXCFSA-N	1	0	351.454	1.717	20	30		FDEDRO
C#CCOCCNC(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000805278855	938711072	/nfs/dbraw/zinc/71/10/72/938711072.db2.gz	BJSSHRRZXPCLJZ-FQEVSTJZSA-N	1	0	370.497	1.238	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COc3ccccc32)C[C@@H]1n1ccnn1	ZINC001130151608	938716322	/nfs/dbraw/zinc/71/63/22/938716322.db2.gz	ZOBBSJZFQIYAET-KURKYZTESA-N	1	0	367.453	1.762	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2(CCOC)CCCC2)C[C@@H]1n1ccnn1	ZINC001130155466	938718609	/nfs/dbraw/zinc/71/86/09/938718609.db2.gz	ICXNBKBXZBBTAQ-SJORKVTESA-N	1	0	359.474	1.240	20	30		FDEDRO
C#CC[C@H](CC(=O)N1C[C@@H]([NH2+]CC)[C@@H](n2ccnn2)C1)c1ccccc1	ZINC001130158819	938720200	/nfs/dbraw/zinc/72/02/00/938720200.db2.gz	SPUMOIKVXVYESU-QRVBRYPASA-N	1	0	351.454	1.837	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](OC(C)C)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130161512	938721680	/nfs/dbraw/zinc/72/16/80/938721680.db2.gz	XGIJMDPAMIEMJA-CEXWTWQISA-N	1	0	367.453	1.419	20	30		FDEDRO
CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]Cc2cccc(C#N)c2)[nH]1	ZINC001130177474	938724953	/nfs/dbraw/zinc/72/49/53/938724953.db2.gz	BVXDKQHPBFGPEJ-HOTGVXAUSA-N	1	0	368.441	1.365	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)(C)F)n1	ZINC001130179391	938726783	/nfs/dbraw/zinc/72/67/83/938726783.db2.gz	FFQDHQMEKKPUOX-QWRGUYRKSA-N	1	0	359.833	1.384	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H]2C=CCC2)[nH]1	ZINC001130187642	938733743	/nfs/dbraw/zinc/73/37/43/938733743.db2.gz	BDZDIXCOZZSRGH-JYJNAYRXSA-N	1	0	359.474	1.815	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2oc(C)cc2C)[nH]1	ZINC001130195990	938739129	/nfs/dbraw/zinc/73/91/29/938739129.db2.gz	MTKPVEXYIIZEMT-KBPBESRZSA-N	1	0	359.430	1.593	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCC2CCC2)[nH]1	ZINC001130196108	938739587	/nfs/dbraw/zinc/73/95/87/938739587.db2.gz	SETFVQUUIZQPLR-HOTGVXAUSA-N	1	0	359.474	1.487	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)=CC)[nH]1	ZINC001130198615	938740896	/nfs/dbraw/zinc/74/08/96/938740896.db2.gz	RCVYSNDHNCJQNZ-AJTKUPTJSA-N	1	0	363.462	1.052	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCC)[nH]1	ZINC001130209676	938747668	/nfs/dbraw/zinc/74/76/68/938747668.db2.gz	JWVBGZRPMDDWCD-SUNYJGFJSA-N	1	0	365.478	1.010	20	30		FDEDRO
CC(C)(C)C#CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCF)[nH]1	ZINC001130212797	938749467	/nfs/dbraw/zinc/74/94/67/938749467.db2.gz	DNAOOVZRSGLCSV-KBPBESRZSA-N	1	0	365.453	1.292	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)=C2CCC2)[nH]1	ZINC001130212989	938749973	/nfs/dbraw/zinc/74/99/73/938749973.db2.gz	NWRJQSQTVLXYJG-HOTGVXAUSA-N	1	0	359.474	1.960	20	30		FDEDRO
C=C(C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCOC)[nH]1	ZINC001130216400	938752565	/nfs/dbraw/zinc/75/25/65/938752565.db2.gz	WPMLMZRYFWCMIW-GJZGRUSLSA-N	1	0	365.478	1.276	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)C(C)C)[nH]1	ZINC001130216478	938752967	/nfs/dbraw/zinc/75/29/67/938752967.db2.gz	YNPGEIWOWAUCCW-GJZGRUSLSA-N	1	0	361.490	1.589	20	30		FDEDRO
CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C#N)[nH]2)[nH]1	ZINC001130200852	938754450	/nfs/dbraw/zinc/75/44/50/938754450.db2.gz	YIDVVRYBHBIGPC-ZFWWWQNUSA-N	1	0	371.445	1.053	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccn(C)c2)[nH]1	ZINC001130202866	938755376	/nfs/dbraw/zinc/75/53/76/938755376.db2.gz	MQALNPBIZCAFFE-GJZGRUSLSA-N	1	0	358.446	1.111	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ncccc2CC)[nH]1	ZINC001130221191	938756813	/nfs/dbraw/zinc/75/68/13/938756813.db2.gz	YXGOLMUCFRVKFB-GJZGRUSLSA-N	1	0	370.457	1.340	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(CC=C)CCC2)[nH]1	ZINC001130240089	938760470	/nfs/dbraw/zinc/76/04/70/938760470.db2.gz	IFBYJNOWWIBTJV-HOTGVXAUSA-N	1	0	371.485	1.653	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCF)[nH]1	ZINC001130229993	938763725	/nfs/dbraw/zinc/76/37/25/938763725.db2.gz	MBIVUFHYVYGGLZ-ILXRZTDVSA-N	1	0	367.469	1.987	20	30		FDEDRO
C=CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C/C=C\Cl)[nH]1	ZINC001130237927	938767542	/nfs/dbraw/zinc/76/75/42/938767542.db2.gz	KCQMDKKASLWMJY-QDDHOEGMSA-N	1	0	367.881	1.992	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)CCCOC)[nH]1	ZINC001130247144	938772130	/nfs/dbraw/zinc/77/21/30/938772130.db2.gz	WJEMFSFEMBGYIY-ILXRZTDVSA-N	1	0	365.478	1.132	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc3c([nH]2)CCC3)[nH]1	ZINC001130249111	938773334	/nfs/dbraw/zinc/77/33/34/938773334.db2.gz	KERCTBBNQIIRJC-BBRMVZONSA-N	1	0	370.457	1.200	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccn2CC)[nH]1	ZINC001130249305	938773486	/nfs/dbraw/zinc/77/34/86/938773486.db2.gz	WVLMLCAKEMRWFU-ZFWWWQNUSA-N	1	0	358.446	1.204	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C/C=C\Cl)CC1	ZINC001130281355	938779495	/nfs/dbraw/zinc/77/94/95/938779495.db2.gz	ITZLKMHHPLJYDN-RSCIOHMXSA-N	1	0	352.866	1.374	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC(F)(F)F)CC1	ZINC001130279282	938789543	/nfs/dbraw/zinc/78/95/43/938789543.db2.gz	ZTRKUWSRRDAYOK-CJNGLKHVSA-N	1	0	361.408	1.990	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COC(C)(C)C)CC1	ZINC001130285147	938789860	/nfs/dbraw/zinc/78/98/60/938789860.db2.gz	BNRCEUPIJIDBOR-APWZRJJASA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCOC)CC1	ZINC001130295578	938797805	/nfs/dbraw/zinc/79/78/05/938797805.db2.gz	IOUSDCASOCCELR-WBVHZDCISA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](CCC)OC)CC1	ZINC001130295595	938798006	/nfs/dbraw/zinc/79/80/06/938798006.db2.gz	JIOSBGFGYCMIKY-AOIWGVFYSA-N	1	0	365.518	1.853	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C[C@@H]2C[C@H]2C2CC2)C1	ZINC001130401861	938836613	/nfs/dbraw/zinc/83/66/13/938836613.db2.gz	PMHAOKZELHDIJF-AOIWGVFYSA-N	1	0	370.497	1.901	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1c[nH]nc1[C@@H]1CC[N@@H+](CCCOC)C1	ZINC001130422880	938843955	/nfs/dbraw/zinc/84/39/55/938843955.db2.gz	CFSOZSQCQIQFEJ-OIISXLGYSA-N	1	0	362.474	1.443	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc[n+]([O-])cc3)C2)s1	ZINC001086637613	938865524	/nfs/dbraw/zinc/86/55/24/938865524.db2.gz	QYXUVQIYGMZIIM-DZGCQCFKSA-N	1	0	356.451	1.941	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C(C)=O)C[C@H]1c1cn(C)cn1	ZINC001130506111	938887366	/nfs/dbraw/zinc/88/73/66/938887366.db2.gz	XASAPJYKJGZIFE-QILLFSRXSA-N	1	0	361.490	1.137	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C(C)=O)C[C@H]1c1cn(C)cn1	ZINC001130506112	938887425	/nfs/dbraw/zinc/88/74/25/938887425.db2.gz	XASAPJYKJGZIFE-UWWQBHOKSA-N	1	0	361.490	1.137	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccns2)C1	ZINC001130580419	939892916	/nfs/dbraw/zinc/89/29/16/939892916.db2.gz	FAFCXCDMHJHBDE-DOTOQJQBSA-N	1	0	357.483	1.764	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC2CCOCC2)C1	ZINC001130580931	939893404	/nfs/dbraw/zinc/89/34/04/939893404.db2.gz	SFJFIUUCNHUXHA-PKOBYXMFSA-N	1	0	358.486	1.534	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn(C3CCC3)c2)C[C@H]1c1cn(C)cn1	ZINC001130590387	939897156	/nfs/dbraw/zinc/89/71/56/939897156.db2.gz	NFAMJMIFHRMPLX-PKOBYXMFSA-N	1	0	366.469	1.563	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCC(C)C)C1	ZINC001130593175	939900206	/nfs/dbraw/zinc/90/02/06/939900206.db2.gz	TVBGMNHXWKNOJT-ZIFCJYIRSA-N	1	0	360.502	1.779	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1c1cn(C)cn1	ZINC001130594752	939902146	/nfs/dbraw/zinc/90/21/46/939902146.db2.gz	XRIUTVAJPFCKEA-KYHPRHEASA-N	1	0	373.501	1.185	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)CNC(=O)OC(C)(C)C)c1C#N	ZINC000806381173	939907210	/nfs/dbraw/zinc/90/72/10/939907210.db2.gz	SOYRWDHEDWYNKX-LLVKDONJSA-N	1	0	364.450	1.533	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cncc(COC)c2)C[C@H]1c1cn(C)cn1	ZINC001130610856	939908222	/nfs/dbraw/zinc/90/82/22/939908222.db2.gz	TWOUYPFVRIISDO-PKOBYXMFSA-N	1	0	369.469	1.735	20	30		FDEDRO
C[NH+](C)CC[C@H](NC(=O)C(=O)NCc1cc(C#N)ccc1F)C(C)(C)C	ZINC000806391760	939911988	/nfs/dbraw/zinc/91/19/88/939911988.db2.gz	ZWPRECVKFYUUQL-INIZCTEOSA-N	1	0	362.449	1.796	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCCC3)C[C@H]1c1cn(C)cn1	ZINC001130614884	939912334	/nfs/dbraw/zinc/91/23/34/939912334.db2.gz	GEBYUAGFXSMPCD-QFBILLFUSA-N	1	0	368.485	1.727	20	30		FDEDRO
Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NCCOCCOCC[NH3+])n1	ZINC001170507188	939915384	/nfs/dbraw/zinc/91/53/84/939915384.db2.gz	GVFBSAHYLWNBDC-WUGCZOJMSA-N	1	0	370.519	1.675	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COC2CCCCC2)C[C@H]1c1cn(C)cn1	ZINC001130622049	939920446	/nfs/dbraw/zinc/92/04/46/939920446.db2.gz	MTHMNMXXXKNAEE-PKOBYXMFSA-N	1	0	358.486	1.677	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3cnccc3o2)C[C@H]1c1cn(C)cn1	ZINC001130622205	939920919	/nfs/dbraw/zinc/92/09/19/939920919.db2.gz	WXUWAPPTHTYDMK-DOTOQJQBSA-N	1	0	363.421	1.782	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2ccncc2)C[C@H]1c1cn(C)cn1	ZINC001130615739	939925938	/nfs/dbraw/zinc/92/59/38/939925938.db2.gz	ZZUYWTPDMVJUGD-XKGZKEIXSA-N	1	0	365.481	1.916	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2occ3c2CCC3)C[C@H]1c1cn(C)cn1	ZINC001130632628	939935969	/nfs/dbraw/zinc/93/59/69/939935969.db2.gz	JWJBYNXMPKLIKH-FUHWJXTLSA-N	1	0	352.438	1.723	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1c1cn(C)cn1	ZINC001130632700	939936221	/nfs/dbraw/zinc/93/62/21/939936221.db2.gz	NEENHQIZMYFTIO-FUHWJXTLSA-N	1	0	370.501	1.637	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(OC)ccn2)C[C@H]1c1cn(C)cn1	ZINC001130639514	939941517	/nfs/dbraw/zinc/94/15/17/939941517.db2.gz	GYYMWVXHOFRNMQ-QFBILLFUSA-N	1	0	369.469	1.988	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C(C)(C)C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130652209	939946479	/nfs/dbraw/zinc/94/64/79/939946479.db2.gz	JPMSXKZTAJLCBZ-FUHWJXTLSA-N	1	0	360.502	1.943	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#CCOC)C1	ZINC001130652473	939946848	/nfs/dbraw/zinc/94/68/48/939946848.db2.gz	WJZJKLHIPRPZTF-JENIJYKNSA-N	1	0	358.486	1.556	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnc3n2CCCC3)C[C@H]1c1cn(C)cn1	ZINC001130654485	939948066	/nfs/dbraw/zinc/94/80/66/939948066.db2.gz	KBIRHEURAPWPEJ-DOTOQJQBSA-N	1	0	366.469	1.174	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2conc2C)C1	ZINC001130644066	939952532	/nfs/dbraw/zinc/95/25/32/939952532.db2.gz	FOAXUBMXAKFZCG-PKOBYXMFSA-N	1	0	369.469	1.994	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccnc2OC)C[C@H]1c1cn(C)cn1	ZINC001130659670	939965599	/nfs/dbraw/zinc/96/55/99/939965599.db2.gz	TYZRSTCVPMGAIF-DOTOQJQBSA-N	1	0	353.426	1.045	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccnc2)C[C@H]1c1cn(C)cn1	ZINC001130678314	939968054	/nfs/dbraw/zinc/96/80/54/939968054.db2.gz	UEBGRHJRCUSSNW-HLNWXESRSA-N	1	0	363.465	1.526	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1c1cn(C)cn1	ZINC001130675184	939973015	/nfs/dbraw/zinc/97/30/15/939973015.db2.gz	PKUGFRQSZRUJAN-DZGCQCFKSA-N	1	0	350.413	1.763	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2nccc3[nH]ccc32)C[C@H]1c1cn(C)cn1	ZINC001130675562	939973508	/nfs/dbraw/zinc/97/35/08/939973508.db2.gz	VYXQEZZIOPZFOF-MAUKXSAKSA-N	1	0	362.437	1.518	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnnn2C)C1	ZINC001130682926	939982649	/nfs/dbraw/zinc/98/26/49/939982649.db2.gz	PQRQPJROCWUELV-DOTOQJQBSA-N	1	0	371.489	1.235	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)nn2CC)C[C@H]1c1cn(C)cn1	ZINC001130682918	939982715	/nfs/dbraw/zinc/98/27/15/939982715.db2.gz	OXVDZXBPHSDGOC-DOTOQJQBSA-N	1	0	354.458	1.166	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c(C)n[nH]c2C)C[C@H]1c1cn(C)cn1	ZINC001130698554	939992748	/nfs/dbraw/zinc/99/27/48/939992748.db2.gz	NPJWYEASYUIUBM-DOTOQJQBSA-N	1	0	356.474	1.924	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(CC)nn2C)C[C@H]1c1cn(C)cn1	ZINC001130698867	939992758	/nfs/dbraw/zinc/99/27/58/939992758.db2.gz	VMJCLVSKVNXYDG-FUHWJXTLSA-N	1	0	370.501	1.880	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130698902	939993260	/nfs/dbraw/zinc/99/32/60/939993260.db2.gz	WGOJEOJVSYPQFG-YQQAZPJKSA-N	1	0	356.474	1.625	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn3c2CCCC3)C[C@H]1c1cn(C)cn1	ZINC001130708181	940013158	/nfs/dbraw/zinc/01/31/58/940013158.db2.gz	AJEWTUTYYXNBPP-FUHWJXTLSA-N	1	0	368.485	1.727	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3nc[nH]c3C2)C[C@H]1c1cn(C)cn1	ZINC001130708334	940014052	/nfs/dbraw/zinc/01/40/52/940014052.db2.gz	JSEOPUDQVDYSDE-ZRGWGRIASA-N	1	0	368.485	1.408	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCOc2cccc(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130728823	940017619	/nfs/dbraw/zinc/01/76/19/940017619.db2.gz	NBGVFFGWAPSMOD-AZUAARDMSA-N	1	0	366.465	1.715	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CN(CC)c2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130734308	940034613	/nfs/dbraw/zinc/03/46/13/940034613.db2.gz	OBZJUHRVNGJUGC-AZUAARDMSA-N	1	0	365.481	1.464	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCCn2cccn2)C[C@H]1c1cn(C)cn1	ZINC001130734628	940034992	/nfs/dbraw/zinc/03/49/92/940034992.db2.gz	WPAWNNPYNNPPPW-FUHWJXTLSA-N	1	0	354.458	1.004	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2csc(C3CC3)n2)C[C@H]1c1cn(C)cn1	ZINC001130736534	940037399	/nfs/dbraw/zinc/03/73/99/940037399.db2.gz	GMUNUXZIZZDOQE-GOEBONIOSA-N	1	0	369.494	1.975	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCCOCC)C[C@H]1c1cn(C)cn1	ZINC001130731697	940045129	/nfs/dbraw/zinc/04/51/29/940045129.db2.gz	MBKOONUTNZSQBZ-SOLBZPMBSA-N	1	0	364.490	1.322	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C=Cc3ccco3)n2)O1	ZINC001130746945	940052488	/nfs/dbraw/zinc/05/24/88/940052488.db2.gz	NTPAQMGLNJWYTJ-LTSYXSSYSA-N	1	0	369.425	1.560	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H]3C=CCC3)n2)O1	ZINC001130756482	940078851	/nfs/dbraw/zinc/07/88/51/940078851.db2.gz	JOCJINUCQFKOAB-OWCLPIDISA-N	1	0	357.458	1.610	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC=CCC3)n2)O1	ZINC001130756529	940079589	/nfs/dbraw/zinc/07/95/89/940079589.db2.gz	MAHLZBWEQPFOLP-OWCLPIDISA-N	1	0	357.458	1.610	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)SC)n2)O1	ZINC001130767243	940100831	/nfs/dbraw/zinc/10/08/31/940100831.db2.gz	FJPVLPBXDXIISC-FRRDWIJNSA-N	1	0	351.476	1.005	20	30		FDEDRO
C[C@H](C#N)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]Cc3ccccc3)O2)n[nH]1	ZINC001130769774	940106785	/nfs/dbraw/zinc/10/67/85/940106785.db2.gz	NYUJISKNHPIRHL-VNQPRFMTSA-N	1	0	368.441	1.590	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cnccc3C)n2)O1	ZINC001130772401	940112438	/nfs/dbraw/zinc/11/24/38/940112438.db2.gz	LEIDJSHOOCKZJK-DZGCQCFKSA-N	1	0	356.430	1.434	20	30		FDEDRO
C#CCCCNC(=O)C(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@H+]1CC	ZINC000806917441	940116026	/nfs/dbraw/zinc/11/60/26/940116026.db2.gz	JQRMWRHKRJZZSF-SFHVURJKSA-N	1	0	356.470	1.424	20	30		FDEDRO
CC[C@H](F)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C#CC3CC3)n2)O1	ZINC001130785217	940119520	/nfs/dbraw/zinc/11/95/20/940119520.db2.gz	GHNPJRDPWQZKGT-SOUVJXGZSA-N	1	0	363.437	1.392	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC)O2)n[nH]1)OCC	ZINC001130785269	940120114	/nfs/dbraw/zinc/12/01/14/940120114.db2.gz	IVVLBUYOCNKKNQ-RRFJBIMHSA-N	1	0	365.478	1.622	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](CC)SC)n2)O1	ZINC001130776415	940125030	/nfs/dbraw/zinc/12/50/30/940125030.db2.gz	DMAVPEJPHJFYBH-MJBXVCDLSA-N	1	0	367.519	1.948	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H](C)SC)n2)O1	ZINC001130781049	940135767	/nfs/dbraw/zinc/13/57/67/940135767.db2.gz	MQIOSLGWXGLXPQ-HZSPNIEDSA-N	1	0	367.519	1.948	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCC3(C)C)n2)O1	ZINC001130796192	940149690	/nfs/dbraw/zinc/14/96/90/940149690.db2.gz	LPYGGSFJTXSDFC-RRFJBIMHSA-N	1	0	359.474	1.690	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3cncs3)n2)O1	ZINC001130787195	940154574	/nfs/dbraw/zinc/15/45/74/940154574.db2.gz	DJQYTMDAKYNENX-WCQYABFASA-N	1	0	362.459	1.116	20	30		FDEDRO
C=CC(C)(C)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC#CC)O2)n[nH]1	ZINC001130787272	940156354	/nfs/dbraw/zinc/15/63/54/940156354.db2.gz	IKBIPKZKURRRBV-LSDHHAIUSA-N	1	0	359.474	1.856	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3CC4(CC4)C3)n2)O1	ZINC001130807158	940182923	/nfs/dbraw/zinc/18/29/23/940182923.db2.gz	RDRYZKKWITWNIQ-LSDHHAIUSA-N	1	0	359.474	1.997	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(C)cc3F)n2)O1	ZINC001130809253	940186327	/nfs/dbraw/zinc/18/63/27/940186327.db2.gz	OHHANUXWUFIKAG-XJKSGUPXSA-N	1	0	371.416	1.625	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(C)(C)C(F)F)n2)O1	ZINC001130809259	940186358	/nfs/dbraw/zinc/18/63/58/940186358.db2.gz	OMXJNABAQVUWTH-NWDGAFQWSA-N	1	0	369.416	1.545	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)C(C)(F)F)n2)O1	ZINC001130809287	940187272	/nfs/dbraw/zinc/18/72/72/940187272.db2.gz	PRZDAZFSXHJFOF-RWMBFGLXSA-N	1	0	369.416	1.545	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cccnn3)n2)O1	ZINC001130811825	940205485	/nfs/dbraw/zinc/20/54/85/940205485.db2.gz	MCABUMMMSDSOIE-DZGCQCFKSA-N	1	0	371.445	1.301	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H](C)CC(C)C)n2)O1	ZINC001130815814	940216386	/nfs/dbraw/zinc/21/63/86/940216386.db2.gz	ASTCIWYVADDDBD-OWCLPIDISA-N	1	0	361.490	1.936	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](CC)CC(C)C)n2)O1	ZINC001130815917	940216438	/nfs/dbraw/zinc/21/64/38/940216438.db2.gz	HABDZULBELGZHJ-HRCADAONSA-N	1	0	361.490	1.936	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)CC(C)C)n2)O1	ZINC001130815979	940217337	/nfs/dbraw/zinc/21/73/37/940217337.db2.gz	IMVLHDIZWNFCIX-OWCLPIDISA-N	1	0	361.490	1.936	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)c3ccccc3)n2)O1	ZINC001130816351	940217868	/nfs/dbraw/zinc/21/78/68/940217868.db2.gz	SDUDFPPKOFGIMK-HYVNUMGLSA-N	1	0	367.453	1.668	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)c3cccnc3)n2)O1	ZINC001130816410	940219034	/nfs/dbraw/zinc/21/90/34/940219034.db2.gz	VUFONWCXFKGCBJ-CWRNSKLLSA-N	1	0	370.457	1.615	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(CC)CCCC3)n2)O1	ZINC001130816455	940219048	/nfs/dbraw/zinc/21/90/48/940219048.db2.gz	XNEZHTSCXUICAZ-LSDHHAIUSA-N	1	0	359.474	1.834	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3[nH]cnc3CC)n2)O1	ZINC001130817186	940220766	/nfs/dbraw/zinc/22/07/66/940220766.db2.gz	DTTBYDSKRTXONC-WCQYABFASA-N	1	0	359.434	1.016	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cccn3CC)n2)O1	ZINC001130817166	940220841	/nfs/dbraw/zinc/22/08/41/940220841.db2.gz	CVDRZBVNIFHFMV-GOEBONIOSA-N	1	0	370.457	1.389	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3c[nH]cc3C)n2)O1	ZINC001130817387	940221785	/nfs/dbraw/zinc/22/17/85/940221785.db2.gz	NHRNRCVVLSUIHN-DZGCQCFKSA-N	1	0	358.446	1.757	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)CCOC)n2)O1	ZINC001130817586	940223103	/nfs/dbraw/zinc/22/31/03/940223103.db2.gz	UVZPGHIXGZXBTD-QLFBSQMISA-N	1	0	365.478	1.479	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cc(C)no2)C[C@H]1c1cncn1C	ZINC001130900085	940291311	/nfs/dbraw/zinc/29/13/11/940291311.db2.gz	IWKAVKHHBVUXND-HUUCEWRRSA-N	1	0	359.430	1.117	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnccn2)C[C@H]1c1cncn1C	ZINC001130891413	940305707	/nfs/dbraw/zinc/30/57/07/940305707.db2.gz	CPUTVDLOJHTMLM-ZMSDIMECSA-N	1	0	354.458	1.763	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCc2ccns2)C1	ZINC001130935761	940332110	/nfs/dbraw/zinc/33/21/10/940332110.db2.gz	KFIYTIPNWZKLFP-HZPDHXFCSA-N	1	0	359.499	1.970	20	30		FDEDRO
C[C@@H](F)CC[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1c1cncn1C	ZINC001130957285	940362568	/nfs/dbraw/zinc/36/25/68/940362568.db2.gz	QFPMCXJLNLEETL-XNRPHZJLSA-N	1	0	358.421	1.566	20	30		FDEDRO
CC[C@@H](C)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1c1cncn1C	ZINC001130969199	940377329	/nfs/dbraw/zinc/37/73/29/940377329.db2.gz	USPGSISTFMOGHB-KBRIMQKVSA-N	1	0	354.458	1.864	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3cn[nH]c32)C[C@H]1c1cncn1C	ZINC001130994303	940417032	/nfs/dbraw/zinc/41/70/32/940417032.db2.gz	RXBWXBPXYVMQTH-BRWVUGGUSA-N	1	0	366.469	1.171	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnn3c2CCC3)C[C@H]1c1cncn1C	ZINC001131005939	940432008	/nfs/dbraw/zinc/43/20/08/940432008.db2.gz	CYKITRKQTTYJIS-IAGOWNOFSA-N	1	0	368.485	1.727	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CCOC)C1	ZINC001131006248	940432619	/nfs/dbraw/zinc/43/26/19/940432619.db2.gz	SYHGFJYAOODJBP-RTBURBONSA-N	1	0	370.497	1.722	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)n(C)n2)C[C@H]1c1cncn1C	ZINC001131006276	940433165	/nfs/dbraw/zinc/43/31/65/940433165.db2.gz	VKTMMGITHFVYCZ-NVXWUHKLSA-N	1	0	366.469	1.252	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CC=CCC2)C[C@H]1c1cncn1C	ZINC001130998995	940435787	/nfs/dbraw/zinc/43/57/87/940435787.db2.gz	FUTLOLGIVLXJKP-DBXWQHBBSA-N	1	0	370.497	1.700	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnc3n2CCC3)C[C@H]1c1cncn1C	ZINC001131010701	940441960	/nfs/dbraw/zinc/44/19/60/940441960.db2.gz	ZDESUDUAEFGCAV-HZPDHXFCSA-N	1	0	368.485	1.727	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ncc(C)cc2OC)C[C@H]1c1cncn1C	ZINC001131012102	940443736	/nfs/dbraw/zinc/44/37/36/940443736.db2.gz	BFQKYWSTHCUZHQ-HZPDHXFCSA-N	1	0	369.469	1.906	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccnc(CCC)c2)C[C@H]1c1cncn1C	ZINC001131012472	940444135	/nfs/dbraw/zinc/44/41/35/940444135.db2.gz	KRHLIBMYXVVJTE-RTBURBONSA-N	1	0	365.481	1.989	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H]1c1cncn1C	ZINC001131020618	940453142	/nfs/dbraw/zinc/45/31/42/940453142.db2.gz	YUGVIQMIZXHLGC-GDBMZVCRSA-N	1	0	354.458	1.406	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ncnc3[nH]ccc32)C[C@H]1c1cncn1C	ZINC001131023169	940456356	/nfs/dbraw/zinc/45/63/56/940456356.db2.gz	PPLCJYYHPUVVDN-HUUCEWRRSA-N	1	0	365.441	1.417	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1c1cncn1C	ZINC001131023192	940456770	/nfs/dbraw/zinc/45/67/70/940456770.db2.gz	QKWNRBLIJWNMNZ-GDBMZVCRSA-N	1	0	359.478	1.706	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)nc2)C[C@H]1c1cncn1C	ZINC001131025879	940458990	/nfs/dbraw/zinc/45/89/90/940458990.db2.gz	IBJAMJDDQJFPGR-IAGOWNOFSA-N	1	0	369.469	1.988	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC(C)(C)CO2)C[C@H]1c1cncn1C	ZINC001131028711	940462988	/nfs/dbraw/zinc/46/29/88/940462988.db2.gz	DXLUVXOUTNFLOQ-GVDBMIGSSA-N	1	0	358.486	1.533	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)[nH]c2=O)C[C@H]1c1cncn1C	ZINC001131038210	940466163	/nfs/dbraw/zinc/46/61/63/940466163.db2.gz	FLXLITDGOKSIFW-HZPDHXFCSA-N	1	0	367.453	1.359	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ncc(C)cc2C)C[C@H]1c1cncn1C	ZINC001131033778	940470285	/nfs/dbraw/zinc/47/02/85/940470285.db2.gz	WSGRXIOMYLYIFJ-IAGOWNOFSA-N	1	0	351.454	1.653	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(=O)NCC)C1	ZINC001131042785	940471823	/nfs/dbraw/zinc/47/18/23/940471823.db2.gz	WNIGVKIFZVALKY-HUUCEWRRSA-N	1	0	361.490	1.043	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2(C)CC=CC2)C[C@H]1c1cncn1C	ZINC001131059925	940478939	/nfs/dbraw/zinc/47/89/39/940478939.db2.gz	PMHLOFKPGCQSEL-IAGOWNOFSA-N	1	0	356.470	1.310	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)nc(OC)c2)C[C@H]1c1cncn1C	ZINC001131053921	940480818	/nfs/dbraw/zinc/48/08/18/940480818.db2.gz	JCKOSPCEFATDNG-IAGOWNOFSA-N	1	0	369.469	1.906	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2csc(=O)[nH]2)C[C@H]1c1cncn1C	ZINC001131056131	940481887	/nfs/dbraw/zinc/48/18/87/940481887.db2.gz	ZOLVUVLQZGPCKP-CHWSQXEVSA-N	1	0	361.471	1.746	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccn(C)c2CC)C[C@H]1c1cncn1C	ZINC001131070281	940484401	/nfs/dbraw/zinc/48/44/01/940484401.db2.gz	NLPVTLYVJBRSNG-IAGOWNOFSA-N	1	0	353.470	1.542	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3cccnn32)C[C@H]1c1cncn1C	ZINC001131084173	940489089	/nfs/dbraw/zinc/48/90/89/940489089.db2.gz	LAJKTHQQDHTLBU-IAGOWNOFSA-N	1	0	364.453	1.842	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3ccncc3C2)C[C@H]1c1cncn1C	ZINC001131073611	940490283	/nfs/dbraw/zinc/49/02/83/940490283.db2.gz	JXGKFIOQFQTDEB-QXAKKESOSA-N	1	0	363.465	1.137	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnn(C)c2)C1	ZINC001131079688	940492153	/nfs/dbraw/zinc/49/21/53/940492153.db2.gz	OXGRZYHTBNWQDN-IAGOWNOFSA-N	1	0	370.501	1.840	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)COC)C[C@H]1c1cncn1C	ZINC001131099636	940492509	/nfs/dbraw/zinc/49/25/09/940492509.db2.gz	XAKSJPNOKDFBOA-GVDBMIGSSA-N	1	0	364.490	1.179	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCF)C1	ZINC001131086564	940493585	/nfs/dbraw/zinc/49/35/85/940493585.db2.gz	SPRKICWEIRFBRE-LHHMISFZSA-N	1	0	364.465	1.645	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn3ccccc23)C[C@H]1c1cncn1C	ZINC001131089394	940494511	/nfs/dbraw/zinc/49/45/11/940494511.db2.gz	FDGQUGHIHKHJTL-IAGOWNOFSA-N	1	0	362.437	1.289	20	30		FDEDRO
C=CC1(CC(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCO)C2)CCCCC1	ZINC001131089413	940494563	/nfs/dbraw/zinc/49/45/63/940494563.db2.gz	GDAVBJRVFXAZLK-IAGOWNOFSA-N	1	0	360.502	1.823	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2nc(CC)oc2C)C[C@H]1c1cncn1C	ZINC001131089667	940495049	/nfs/dbraw/zinc/49/50/49/940495049.db2.gz	SSDFHKORMBIFEM-HUUCEWRRSA-N	1	0	355.442	1.500	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]C/C=C\Cl)C2)cn1	ZINC001131112786	940498974	/nfs/dbraw/zinc/49/89/74/940498974.db2.gz	MYSWNHOVBRZNLO-GGVHLCNSSA-N	1	0	369.856	1.747	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@H]1c1cncn1C	ZINC001131103381	940500924	/nfs/dbraw/zinc/50/09/24/940500924.db2.gz	HHILVWNMNOGNTB-QZTJIDSGSA-N	1	0	370.497	1.390	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3cccnc3C2)C[C@H]1c1cncn1C	ZINC001131115489	940503690	/nfs/dbraw/zinc/50/36/90/940503690.db2.gz	PKCZMPFDECHJKA-ZHALLVOQSA-N	1	0	363.465	1.137	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ncccc2OC)C[C@H]1c1cncn1C	ZINC001131117589	940504296	/nfs/dbraw/zinc/50/42/96/940504296.db2.gz	GCVSBDUCDMLBPX-HUUCEWRRSA-N	1	0	355.442	1.598	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cnc2C)C[C@H]1c1cncn1C	ZINC001131117843	940504690	/nfs/dbraw/zinc/50/46/90/940504690.db2.gz	VTJDWCMQCFZKFC-NVXWUHKLSA-N	1	0	356.474	1.545	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)onc2CC)C[C@H]1c1cncn1C	ZINC001131119412	940505195	/nfs/dbraw/zinc/50/51/95/940505195.db2.gz	AJSBKDPXDSOUCH-GDBMZVCRSA-N	1	0	355.442	1.500	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2ccc(C)o2)C[C@H]1c1cncn1C	ZINC001131128178	940509973	/nfs/dbraw/zinc/50/99/73/940509973.db2.gz	UNTICAKEVHDASY-QZTJIDSGSA-N	1	0	354.454	1.862	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3n(c2)CCCC3)C[C@H]1c1cncn1C	ZINC001131136364	940513480	/nfs/dbraw/zinc/51/34/80/940513480.db2.gz	JVKNZNOGBSLESZ-RTBURBONSA-N	1	0	365.481	1.779	20	30		FDEDRO
C=CCN(C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C(C)C	ZINC000808346899	940540867	/nfs/dbraw/zinc/54/08/67/940540867.db2.gz	SXGFTUWZJWPEDM-DLBZAZTESA-N	1	0	351.491	1.294	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1	ZINC000808424754	940544596	/nfs/dbraw/zinc/54/45/96/940544596.db2.gz	VRGSSCSMHCTMFH-GOEBONIOSA-N	1	0	366.487	1.338	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)COC(C)(C)C)C1	ZINC001131310612	940550287	/nfs/dbraw/zinc/55/02/87/940550287.db2.gz	XNEYSOCIASNESE-XHSDSOJGSA-N	1	0	365.474	1.484	20	30		FDEDRO
CN1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1	ZINC001086665078	940552399	/nfs/dbraw/zinc/55/23/99/940552399.db2.gz	PNBAVVGREAIULG-IPMKNSEASA-N	1	0	356.470	1.263	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC001131414514	940563872	/nfs/dbraw/zinc/56/38/72/940563872.db2.gz	GKIAEYNWSHWVSJ-KURKYZTESA-N	1	0	352.475	1.354	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnccn2)CC1	ZINC001131405800	940564941	/nfs/dbraw/zinc/56/49/41/940564941.db2.gz	AWGLHSYWLZLSEM-AEFFLSMTSA-N	1	0	360.458	1.279	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(C)nc2)CC1	ZINC001131421418	940566263	/nfs/dbraw/zinc/56/62/63/940566263.db2.gz	AYTBRDRDWFFWOK-UXHICEINSA-N	1	0	371.481	1.639	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCC(C)C)CC1	ZINC001131421686	940566378	/nfs/dbraw/zinc/56/63/78/940566378.db2.gz	QGNYLYJQGOFPRA-XLIONFOSSA-N	1	0	363.502	1.158	20	30		FDEDRO
C[C@@H](O)CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CSCC#N)CC1	ZINC001131429790	940567531	/nfs/dbraw/zinc/56/75/31/940567531.db2.gz	XPEVGBDVKGUVFW-KYJSFNMBSA-N	1	0	369.531	1.390	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnns2)CC1	ZINC001131439721	940588845	/nfs/dbraw/zinc/58/88/45/940588845.db2.gz	QFAAWOWFHGDVDD-ZBFHGGJFSA-N	1	0	366.487	1.340	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@@H]3CCNC(=O)CC3)C2)c1	ZINC001086669024	940596419	/nfs/dbraw/zinc/59/64/19/940596419.db2.gz	KRWWWBHJMMRTRD-OFQRWUPVSA-N	1	0	357.458	1.291	20	30		FDEDRO
CCCCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC#CCOC)CC1	ZINC001131458279	940612586	/nfs/dbraw/zinc/61/25/86/940612586.db2.gz	IKFMHVPNAFVGSA-QUCCMNQESA-N	1	0	366.502	1.439	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c[nH]c(C)n2)CC1	ZINC001131445373	940617287	/nfs/dbraw/zinc/61/72/87/940617287.db2.gz	UOQZNXHMPZNILV-AEFFLSMTSA-N	1	0	362.474	1.520	20	30		FDEDRO
C#CCCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(=O)NC)CC1	ZINC001131476099	940618905	/nfs/dbraw/zinc/61/89/05/940618905.db2.gz	RCZMTYKDLQQXLO-SUMDDJOVSA-N	1	0	363.502	1.300	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1	ZINC000808834613	940619860	/nfs/dbraw/zinc/61/98/60/940619860.db2.gz	GKBPYUCSOZPZPR-ZDUSSCGKSA-N	1	0	360.296	1.495	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCC=C)CC1	ZINC001131461681	940619891	/nfs/dbraw/zinc/61/98/91/940619891.db2.gz	SQWSJMDBDSWPPS-MJGOQNOKSA-N	1	0	352.475	1.377	20	30		FDEDRO
C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cscn2)CC1	ZINC001131464661	940622743	/nfs/dbraw/zinc/62/27/43/940622743.db2.gz	ZFQBQJWZCPXBRS-AEFFLSMTSA-N	1	0	365.499	1.831	20	30		FDEDRO
C=CCOCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOC)CC1	ZINC001131467645	940624170	/nfs/dbraw/zinc/62/41/70/940624170.db2.gz	IXLUFLRRCZFUOZ-MJGOQNOKSA-N	1	0	354.491	1.601	20	30		FDEDRO
C#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCOC)CC1	ZINC001131487887	940631861	/nfs/dbraw/zinc/63/18/61/940631861.db2.gz	LLDPVORWIZMXGM-QUCCMNQESA-N	1	0	366.502	1.439	20	30		FDEDRO
Cc1c(C(=O)Nc2c[nH]nc2C#N)nnn1-c1cccc2c1CC[N@@H+](C)C2	ZINC001131483595	940639172	/nfs/dbraw/zinc/63/91/72/940639172.db2.gz	KMTBDQNMJRYAFR-UHFFFAOYSA-N	1	0	362.397	1.411	20	30		FDEDRO
CN(C)C(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C#CC(C)(C)C)CC1	ZINC001131493434	940644173	/nfs/dbraw/zinc/64/41/73/940644173.db2.gz	BMXZVWQNBGUQIO-APWZRJJASA-N	1	0	363.502	1.110	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCCOC)CC1	ZINC001131503147	940653417	/nfs/dbraw/zinc/65/34/17/940653417.db2.gz	UGOVDQNZBLRSEB-UHOSZYNNSA-N	1	0	366.502	1.437	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCC(=C)C)CC1	ZINC001131506579	940668342	/nfs/dbraw/zinc/66/83/42/940668342.db2.gz	FKGXUIBVTMENIO-XLIONFOSSA-N	1	0	361.486	1.078	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NC)CC1	ZINC001131506683	940668680	/nfs/dbraw/zinc/66/86/80/940668680.db2.gz	KUVWFBRWUVNXND-MJGOQNOKSA-N	1	0	363.502	1.487	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H]2CCNC2=O)CC1	ZINC001131506930	940669596	/nfs/dbraw/zinc/66/95/96/940669596.db2.gz	WUSKPMDCVUXHDF-NUJGCVRESA-N	1	0	363.502	1.463	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(OC)n(C)n2)CC1	ZINC001131528276	940697978	/nfs/dbraw/zinc/69/79/78/940697978.db2.gz	PCQXOSVUEJZTQN-QAPCUYQASA-N	1	0	360.458	1.051	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccn3nccc23)CC1	ZINC001131526365	940711019	/nfs/dbraw/zinc/71/10/19/940711019.db2.gz	OISQBGJAPMXDCB-QUCCMNQESA-N	1	0	366.465	1.957	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCC(=O)N2C)CC1	ZINC001131543716	940719599	/nfs/dbraw/zinc/71/95/99/940719599.db2.gz	QCBOQGJGBTWKMX-AOIWGVFYSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N(C)CC)CC1	ZINC001131545732	940721362	/nfs/dbraw/zinc/72/13/62/940721362.db2.gz	CGUUTTIZSCHQPE-AEFFLSMTSA-N	1	0	365.518	1.663	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2ncccc2OC)CC1	ZINC001131550246	940739027	/nfs/dbraw/zinc/73/90/27/940739027.db2.gz	PORWLYDDIKYZGD-UTKZUKDTSA-N	1	0	371.481	1.642	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NCC)CC1	ZINC001131550251	940739086	/nfs/dbraw/zinc/73/90/86/940739086.db2.gz	QBFVQFILSLIFIS-VPWXQRGCSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCCC(=O)N2)CC1	ZINC001131564516	940740555	/nfs/dbraw/zinc/74/05/55/940740555.db2.gz	MRVAWCBATWJIKZ-AOIWGVFYSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC[C@@H](C)O2)CC1	ZINC001131567083	940742569	/nfs/dbraw/zinc/74/25/69/940742569.db2.gz	ACJQUOOAPVRWRC-OWYHZJEWSA-N	1	0	366.502	1.742	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H]2CCNC2=O)CC1	ZINC001131572357	940748374	/nfs/dbraw/zinc/74/83/74/940748374.db2.gz	FHVWBMGAPZTUGD-IKGGRYGDSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H](O)COC)CC1	ZINC001131572680	940748956	/nfs/dbraw/zinc/74/89/56/940748956.db2.gz	LICFHUKJWJVJSX-KSZLIROESA-N	1	0	368.518	1.582	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COC[C@@H]2CCOC2)CC1	ZINC001131573349	940749225	/nfs/dbraw/zinc/74/92/25/940749225.db2.gz	XIQGETYDNGPMQK-POAQFYNOSA-N	1	0	364.486	1.049	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COC[C@H]2CCOC2)CC1	ZINC001131573255	940749410	/nfs/dbraw/zinc/74/94/10/940749410.db2.gz	UGUJQCCSNMAPPW-HQRMLTQVSA-N	1	0	366.502	1.601	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccnc(N(C)C)c2)CC1	ZINC001131574577	940751188	/nfs/dbraw/zinc/75/11/88/940751188.db2.gz	DXNAKKVQCWYBAR-QUCCMNQESA-N	1	0	370.497	1.770	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCC)CC1	ZINC001131575376	940752046	/nfs/dbraw/zinc/75/20/46/940752046.db2.gz	VPYCQIMMDDNNAU-QRVBRYPASA-N	1	0	365.518	1.853	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COC[C@@H]2CCOC2)CC1	ZINC001131575415	940752407	/nfs/dbraw/zinc/75/24/07/940752407.db2.gz	WQKZWGPUYZZPNX-POAQFYNOSA-N	1	0	364.486	1.049	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@]2(C)CCOC2)CC1	ZINC001131583268	940769811	/nfs/dbraw/zinc/76/98/11/940769811.db2.gz	YTZGGABRLZBCQT-WSTZPKSXSA-N	1	0	366.502	1.601	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCOCC)CC2)nc1	ZINC001131596929	940780427	/nfs/dbraw/zinc/78/04/27/940780427.db2.gz	BJFCTWUJERXTJK-QUCCMNQESA-N	1	0	371.481	1.699	20	30		FDEDRO
O=C(CC#Cc1ccccc1)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1	ZINC001131606812	940784901	/nfs/dbraw/zinc/78/49/01/940784901.db2.gz	HHCROAJAGIGJAN-IRLDBZIGSA-N	1	0	370.493	1.796	20	30		FDEDRO
C=CCCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H]2CCOC2)CC1	ZINC001131610281	940789934	/nfs/dbraw/zinc/78/99/34/940789934.db2.gz	JPLIHRFTIUWJJS-POAQFYNOSA-N	1	0	366.502	1.601	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOC(C)C)CC1	ZINC001131612042	940791568	/nfs/dbraw/zinc/79/15/68/940791568.db2.gz	BEIHFGQSUSOKHD-UHOSZYNNSA-N	1	0	368.518	1.988	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCC(N)=O)CC1	ZINC001131612374	940791939	/nfs/dbraw/zinc/79/19/39/940791939.db2.gz	IYJPCILSEZOZEV-VPWXQRGCSA-N	1	0	365.518	1.982	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COC[C@@H]2CCCO2)CC1	ZINC001131616316	940794479	/nfs/dbraw/zinc/79/44/79/940794479.db2.gz	LRDLVZUIZUPSES-NSHGMRRFSA-N	1	0	364.486	1.191	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1C#N	ZINC000809502105	940844834	/nfs/dbraw/zinc/84/48/34/940844834.db2.gz	HPACPCHNXHDETF-HNNXBMFYSA-N	1	0	372.469	1.421	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1C#N	ZINC000809503977	940846131	/nfs/dbraw/zinc/84/61/31/940846131.db2.gz	NDGLDPIGJYWUHW-QGZVFWFLSA-N	1	0	370.453	1.270	20	30		FDEDRO
C#Cc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)NCCOC)cc2)cc1	ZINC000809610330	940866641	/nfs/dbraw/zinc/86/66/41/940866641.db2.gz	QDPIBOZSZQSKSL-UHFFFAOYSA-N	1	0	358.463	1.882	20	30		FDEDRO
CC(C)n1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1	ZINC001086675999	940924142	/nfs/dbraw/zinc/92/41/42/940924142.db2.gz	LBRBIHLQAGWPIF-QWHCGFSZSA-N	1	0	356.434	1.142	20	30		FDEDRO
N#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cn(CC4CC4)nn3)C2)[nH]1	ZINC001086676076	940924413	/nfs/dbraw/zinc/92/44/13/940924413.db2.gz	SRCGHEKZTBTSMB-LSDHHAIUSA-N	1	0	367.457	1.576	20	30		FDEDRO
N#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H]3CCN(C4CCC4)C3=O)C2)[nH]1	ZINC001086676250	940932832	/nfs/dbraw/zinc/93/28/32/940932832.db2.gz	KJNMXSSWFXVODH-IYOUNJFTSA-N	1	0	369.469	1.528	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@H]1O	ZINC001090503996	940969934	/nfs/dbraw/zinc/96/99/34/940969934.db2.gz	QLQXWGRKFMJUMW-ZIAGYGMSSA-N	1	0	365.865	1.003	20	30		FDEDRO
Cn1cnc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)n1	ZINC001086688420	941080944	/nfs/dbraw/zinc/08/09/44/941080944.db2.gz	QQQUMISMQFXQCG-SWLSCSKDSA-N	1	0	356.405	1.514	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1	ZINC001132863071	941138136	/nfs/dbraw/zinc/13/81/36/941138136.db2.gz	KFCZMBNMHHAFMC-QJPTWQEYSA-N	1	0	355.891	1.902	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1=O	ZINC001132858713	941138599	/nfs/dbraw/zinc/13/85/99/941138599.db2.gz	GERYFDSDSZKXCS-JHJVBQTASA-N	1	0	367.902	1.998	20	30		FDEDRO
C=C(C)CNN=C(C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1	ZINC000811651289	941148548	/nfs/dbraw/zinc/14/85/48/941148548.db2.gz	PKMSDXMJXRONCP-UHFFFAOYSA-N	1	0	352.504	1.806	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2C[C@H]2c2ccccc2CC)C1=O	ZINC001132989114	941154179	/nfs/dbraw/zinc/15/41/79/941154179.db2.gz	AIMJYTTXDROPNV-OTWHNJEPSA-N	1	0	355.482	1.845	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)OCC[NH+]2CCCCC2)cc1	ZINC000811833184	941167172	/nfs/dbraw/zinc/16/71/72/941167172.db2.gz	PYPLLMRUQPZVLI-UHFFFAOYSA-N	1	0	350.440	1.241	20	30		FDEDRO
CC[N@@H+]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOC)CC1	ZINC000812097342	941183743	/nfs/dbraw/zinc/18/37/43/941183743.db2.gz	GJZZOZDYGDMCFQ-UHFFFAOYSA-N	1	0	354.458	1.995	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(CC)ccn3)C2)C1=O	ZINC001086704073	941214663	/nfs/dbraw/zinc/21/46/63/941214663.db2.gz	DXZZWZVQFVLCSB-KSZLIROESA-N	1	0	370.497	1.919	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(=O)NC2(c3ccccc3)CCC2)CC1	ZINC000747816438	941273777	/nfs/dbraw/zinc/27/37/77/941273777.db2.gz	DXXWRTNWGGCKRV-UHFFFAOYSA-N	1	0	353.466	1.643	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)CC1	ZINC000812873433	941284004	/nfs/dbraw/zinc/28/40/04/941284004.db2.gz	AYBGKMWFIJDFEL-QFIPXVFZSA-N	1	0	369.509	1.081	20	30		FDEDRO
C#C[C@H](NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(F)cc1	ZINC000812884695	941286533	/nfs/dbraw/zinc/28/65/33/941286533.db2.gz	XPGINNJISHREQD-WBVHZDCISA-N	1	0	360.433	1.387	20	30		FDEDRO
C#C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccc(F)cc1	ZINC000812889076	941287443	/nfs/dbraw/zinc/28/74/43/941287443.db2.gz	MOSUDDYSAQNJKE-PKOBYXMFSA-N	1	0	358.461	1.968	20	30		FDEDRO
CC1(C)[C@@H](O)CC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000812865388	941289073	/nfs/dbraw/zinc/28/90/73/941289073.db2.gz	NSWNWULJHJJLDX-MSOLQXFVSA-N	1	0	374.460	1.380	20	30		FDEDRO
O=C1[C@@H](O[NH+]=Cc2ccc(N3CCOCC3)cc2)CCN1C1CCOCC1	ZINC000747825743	941293020	/nfs/dbraw/zinc/29/30/20/941293020.db2.gz	FPNGOFWJCTZSPT-IBGZPJMESA-N	1	0	373.453	1.654	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=NOCC(=O)Nc2ccc(C#N)cc2)cc1	ZINC000747838959	941336798	/nfs/dbraw/zinc/33/67/98/941336798.db2.gz	UHBRHURCYIXTHC-UHFFFAOYSA-N	1	0	351.410	1.895	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1F	ZINC000813667377	941436202	/nfs/dbraw/zinc/43/62/02/941436202.db2.gz	UYBIZRUQUKYTIF-HNNXBMFYSA-N	1	0	367.446	1.619	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H]1CCN(c2ccccc2F)C1=O	ZINC001134054925	941531418	/nfs/dbraw/zinc/53/14/18/941531418.db2.gz	VLDFIRGVUFAXLO-KMFMINBZSA-N	1	0	361.417	1.228	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]Cc1cc(=O)oc2cc(C)ccc12	ZINC001134049843	941538015	/nfs/dbraw/zinc/53/80/15/941538015.db2.gz	RDDJLVLOQYCRCD-SJORKVTESA-N	1	0	356.422	1.898	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CCCc1nc(-c2ccccc2)no1	ZINC001134061683	941540511	/nfs/dbraw/zinc/54/05/11/941540511.db2.gz	CORQSSLMQRSCAB-SJORKVTESA-N	1	0	370.453	1.966	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N[C@H]1CCCc2ccccc21	ZINC001134061999	941540876	/nfs/dbraw/zinc/54/08/76/941540876.db2.gz	NHBOSCQJQJKPOL-QYZOEREBSA-N	1	0	371.481	1.477	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CN2c3ccccc3OC(F)(F)C2=O)CC1	ZINC000814112737	941554414	/nfs/dbraw/zinc/55/44/14/941554414.db2.gz	OUSXZCUUDIXJFD-UHFFFAOYSA-N	1	0	365.380	1.771	20	30		FDEDRO
COc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)cc1C#N	ZINC001134126189	941575101	/nfs/dbraw/zinc/57/51/01/941575101.db2.gz	CZFXXKXKDJKMNH-DLBZAZTESA-N	1	0	353.426	1.310	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2c(C)noc2C)C1	ZINC001086720754	941619161	/nfs/dbraw/zinc/61/91/61/941619161.db2.gz	MITDGFRDDGAURQ-SCTDSRPQSA-N	1	0	358.486	1.764	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1	ZINC000747966094	941697154	/nfs/dbraw/zinc/69/71/54/941697154.db2.gz	OOYWTOUEODASKY-FPOVZHCZSA-N	1	0	370.493	1.903	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@H](CC)c1ccccc1OCC(=O)N1CCCC1	ZINC000815082020	941776722	/nfs/dbraw/zinc/77/67/22/941776722.db2.gz	XIORTNFHFOLRCQ-GOSISDBHSA-N	1	0	371.481	1.868	20	30		FDEDRO
C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(C#N)cn1	ZINC000815376118	941844714	/nfs/dbraw/zinc/84/47/14/941844714.db2.gz	WLOCTCWGXHJDGJ-UHFFFAOYSA-N	1	0	365.437	1.525	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1ccccc1OC	ZINC001135032188	941866126	/nfs/dbraw/zinc/86/61/26/941866126.db2.gz	GBKPIBFGNROSNX-ZWKOTPCHSA-N	1	0	371.481	1.705	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F	ZINC001135065063	941881446	/nfs/dbraw/zinc/88/14/46/941881446.db2.gz	UECSDDYDKSNQFG-IHRRRGAJSA-N	1	0	368.396	1.003	20	30		FDEDRO
CCc1ccc(C#CC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1	ZINC000815629475	941922945	/nfs/dbraw/zinc/92/29/45/941922945.db2.gz	DYKSRFKTIAZJGY-FQEVSTJZSA-N	1	0	355.482	1.123	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)COc1ccccc1C	ZINC001135145384	941929243	/nfs/dbraw/zinc/92/92/43/941929243.db2.gz	GIUZHWCPASCFEM-AOIWGVFYSA-N	1	0	362.470	1.422	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N(C)Cc1ccc(C)o1	ZINC001135145888	941930187	/nfs/dbraw/zinc/93/01/87/941930187.db2.gz	XFJXTAPFBZYJQP-WMZOPIPTSA-N	1	0	363.458	1.233	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)c(F)c1	ZINC001135138357	941933502	/nfs/dbraw/zinc/93/35/02/941933502.db2.gz	APLNLTLUOZAUNX-SJLPKXTDSA-N	1	0	371.416	1.205	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+]CCNC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)c1	ZINC001135138394	941933649	/nfs/dbraw/zinc/93/36/49/941933649.db2.gz	CCMXHZMKAVUCQY-CRAIPNDOSA-N	1	0	371.416	1.205	20	30		FDEDRO
O=C(NCC[NH2+]CC#Cc1ccccc1)[C@@H]1OCC[C@@H]1Cn1cccn1	ZINC001135138542	941934128	/nfs/dbraw/zinc/93/41/28/941934128.db2.gz	KLJXCMWLMGDQPF-RTBURBONSA-N	1	0	352.438	1.046	20	30		FDEDRO
O=C(NCC[NH2+]CC#Cc1ccc(F)cc1)[C@@H]1OCC[C@@H]1Cn1cccn1	ZINC001135138599	941934132	/nfs/dbraw/zinc/93/41/32/941934132.db2.gz	NGBKMXYYWWOQHG-IEBWSBKVSA-N	1	0	370.428	1.185	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCCC1CCCCC1	ZINC001135147882	941934972	/nfs/dbraw/zinc/93/49/72/941934972.db2.gz	RLRBAMQWLYDCBJ-HKUYNNGSSA-N	1	0	365.518	1.760	20	30		FDEDRO
C=CCN(CCC#N)C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1	ZINC000815676314	941935931	/nfs/dbraw/zinc/93/59/31/941935931.db2.gz	MKTDYLCIBVVUHS-UHFFFAOYSA-N	1	0	355.442	1.305	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Cl)c(NC(C)=O)c1	ZINC000815861782	941996963	/nfs/dbraw/zinc/99/69/63/941996963.db2.gz	ZDJMIMDLQASDLX-UHFFFAOYSA-N	1	0	364.833	1.308	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N	ZINC000815861142	941997473	/nfs/dbraw/zinc/99/74/73/941997473.db2.gz	SDHKOCODDBYNHG-OAHLLOKOSA-N	1	0	372.494	1.948	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3[nH]c(C)cc3C)C2)C1=O	ZINC001086734098	942084548	/nfs/dbraw/zinc/08/45/48/942084548.db2.gz	SWLKNEDZHFNNBX-GVDBMIGSSA-N	1	0	358.486	1.907	20	30		FDEDRO
CCN1CCOC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001086738783	942154221	/nfs/dbraw/zinc/15/42/21/942154221.db2.gz	QXUIEMLYYISBOG-XUVXKRRUSA-N	1	0	370.497	1.653	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cncn3C)C2)cc1C#N	ZINC001086747592	942238841	/nfs/dbraw/zinc/23/88/41/942238841.db2.gz	HXHFNLFXMMRIBK-DOTOQJQBSA-N	1	0	367.453	1.989	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCNC(=O)CC3)C2)cc1	ZINC001086767343	942441182	/nfs/dbraw/zinc/44/11/82/942441182.db2.gz	IIOOTPYHTDIASI-IPMKNSEASA-N	1	0	368.481	1.849	20	30		FDEDRO
CN1C(=O)CC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001086777835	942453204	/nfs/dbraw/zinc/45/32/04/942453204.db2.gz	KIBGALCHWOQZBG-QGTPRVQTSA-N	1	0	354.454	1.554	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H](C)c3nnc(C)[nH]3)C2)c1	ZINC001086798622	942636158	/nfs/dbraw/zinc/63/61/58/942636158.db2.gz	XOTNFZGQXHFJFP-YLQAJVPDSA-N	1	0	352.442	1.739	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@H+]2C[C@H](C(=O)OC(C)(C)C)CC[C@H]2C)CC1	ZINC000817279675	942655459	/nfs/dbraw/zinc/65/54/59/942655459.db2.gz	SHJFIWXWGWNCJE-IAGOWNOFSA-N	1	0	363.502	1.206	20	30		FDEDRO
C[C@@H]1C[C@H](C)[N@H+](CC(=O)NCCC#N)C[C@@H]1CNC(=O)OC(C)(C)C	ZINC000817292590	942669469	/nfs/dbraw/zinc/66/94/69/942669469.db2.gz	MJBVNYYOEBBLLM-ILXRZTDVSA-N	1	0	352.479	1.887	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C4CC4)n[nH]3)C2)C1=O	ZINC001086810781	942871777	/nfs/dbraw/zinc/87/17/77/942871777.db2.gz	HJARKROBYKWITD-IMJJTQAJSA-N	1	0	371.485	1.562	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1	ZINC000817786680	942976446	/nfs/dbraw/zinc/97/64/46/942976446.db2.gz	ZASQHSWIRCHXIT-IERDGZPVSA-N	1	0	355.482	1.911	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1	ZINC000817834545	942996237	/nfs/dbraw/zinc/99/62/37/942996237.db2.gz	CCNYNQOBAPPVAV-PMACEKPBSA-N	1	0	361.445	1.846	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C[NH3+])C2CCCC2)ccc1F	ZINC000818002195	943104223	/nfs/dbraw/zinc/10/42/23/943104223.db2.gz	WAUWKXPVEXKKSD-HNNXBMFYSA-N	1	0	369.462	1.537	20	30		FDEDRO
C=CCCN(OCc1ccccc1)C(=O)C(=O)N1CCC[C@@H](C[NH2+]C)C1	ZINC000817986482	943119747	/nfs/dbraw/zinc/11/97/47/943119747.db2.gz	QMDCYMHABDUKJB-SFHVURJKSA-N	1	0	359.470	1.981	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@]12C[C@H]1COC2	ZINC001170896659	943211306	/nfs/dbraw/zinc/21/13/06/943211306.db2.gz	YSVHARZEBZHKSH-ZWOKBUDYSA-N	1	0	363.502	1.488	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(c2cc(OC)cc(OC)c2)C1	ZINC000818584393	943294439	/nfs/dbraw/zinc/29/44/39/943294439.db2.gz	LUFJDKWPHLWVHR-OAHLLOKOSA-N	1	0	373.453	1.128	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CCCOc1ccc2c(c1)NC(=O)CC2	ZINC000818589288	943296301	/nfs/dbraw/zinc/29/63/01/943296301.db2.gz	VLVQFAALCOZXSZ-UHFFFAOYSA-N	1	0	357.454	1.802	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br	ZINC000818588891	943297136	/nfs/dbraw/zinc/29/71/36/943297136.db2.gz	ITBLFAOVUVWXDL-UHFFFAOYSA-N	1	0	368.231	1.971	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1ccccc1SCC(=O)NC(C)C	ZINC000818588939	943297262	/nfs/dbraw/zinc/29/72/62/943297262.db2.gz	KDVVKGHJDASCFB-UHFFFAOYSA-N	1	0	361.511	1.988	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1	ZINC000818588984	943297540	/nfs/dbraw/zinc/29/75/40/943297540.db2.gz	LSPFHMDGHAYMGI-UHFFFAOYSA-N	1	0	365.499	1.448	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(OC)cc1	ZINC000818588990	943297748	/nfs/dbraw/zinc/29/77/48/943297748.db2.gz	MCAZUPUFJKQUNF-HKUYNNGSSA-N	1	0	357.454	1.286	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(c2cccc(SC)c2)C1	ZINC000818611934	943301899	/nfs/dbraw/zinc/30/18/99/943301899.db2.gz	IVAUACHJECDNTR-OAHLLOKOSA-N	1	0	359.495	1.833	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CCNC(=O)N1CCc2ccccc2C1	ZINC000818603041	943328302	/nfs/dbraw/zinc/32/83/02/943328302.db2.gz	MJROXLZJJIKBMX-UHFFFAOYSA-N	1	0	356.470	1.216	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CCNS(=O)(=O)/C=C\c1ccccc1	ZINC000818609469	943331212	/nfs/dbraw/zinc/33/12/12/943331212.db2.gz	YVNCMAQNNXEOHF-WJDWOHSUSA-N	1	0	363.483	1.038	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]CCNc2ccc(C#N)cn2)cc1	ZINC000818952400	943361858	/nfs/dbraw/zinc/36/18/58/943361858.db2.gz	KSELWRFCMQOWTG-QGZVFWFLSA-N	1	0	351.410	1.461	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H]1CCCCN1C(=O)OC(C)(C)C	ZINC000818979408	943368350	/nfs/dbraw/zinc/36/83/50/943368350.db2.gz	LTGXKCQHODVVFH-HOTGVXAUSA-N	1	0	354.495	1.572	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]CCCNC(=O)c1cccc(Br)c1	ZINC000818991517	943375376	/nfs/dbraw/zinc/37/53/76/943375376.db2.gz	GJDFHAXFAQXFLB-UHFFFAOYSA-N	1	0	366.259	1.298	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]C1CCN(C(=O)[C@H](CC)c2ccccc2)CC1	ZINC000818991079	943375512	/nfs/dbraw/zinc/37/55/12/943375512.db2.gz	VOTWOMHDHPCDJJ-LJQANCHMSA-N	1	0	355.482	1.900	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000818994623	943376089	/nfs/dbraw/zinc/37/60/89/943376089.db2.gz	HVAQXIKIEGCRFP-YESZJQIVSA-N	1	0	368.522	1.818	20	30		FDEDRO
CS(=O)(=O)c1ccc([C@H](O)C[NH2+]CCNc2ncccc2C#N)cc1	ZINC000818976240	943390885	/nfs/dbraw/zinc/39/08/85/943390885.db2.gz	XVJYASABOQYMNA-MRXNPFEDSA-N	1	0	360.439	1.092	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncccn3)C2)nn1	ZINC001086824549	943413288	/nfs/dbraw/zinc/41/32/88/943413288.db2.gz	NXKNCYBAKMGHDD-LSDHHAIUSA-N	1	0	355.446	1.333	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]CCC(=O)Nc1cc(C)c(Cl)cc1OC	ZINC000819129610	943452651	/nfs/dbraw/zinc/45/26/51/943452651.db2.gz	NDPWBAJNGGDYRK-UHFFFAOYSA-N	1	0	351.834	1.715	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)nc1	ZINC000819199433	943472607	/nfs/dbraw/zinc/47/26/07/943472607.db2.gz	WOTLJPJFQAVUHY-IPYPFGDCSA-N	1	0	369.537	1.696	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2COC3(CCOCC3)O2)cc1	ZINC000819216690	943491283	/nfs/dbraw/zinc/49/12/83/943491283.db2.gz	WSHJUEHEQPYHHE-SJLPKXTDSA-N	1	0	362.426	1.004	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]CC1(C)CCN(C(=O)OC(C)(C)C)CC1	ZINC000819224472	943496343	/nfs/dbraw/zinc/49/63/43/943496343.db2.gz	GAOPSVUORFENHI-MRXNPFEDSA-N	1	0	368.522	1.820	20	30		FDEDRO
C#CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O	ZINC000819305060	943510593	/nfs/dbraw/zinc/51/05/93/943510593.db2.gz	LNBQRMDMMQGVPD-ZWKOTPCHSA-N	1	0	362.429	1.868	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H]([NH2+]C[C@H](O)c3ccc(C#N)cc3)C2=O)cc1	ZINC000819260286	943515039	/nfs/dbraw/zinc/51/50/39/943515039.db2.gz	RBKCFGMXKZTTAO-PMACEKPBSA-N	1	0	360.417	1.854	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)cc1	ZINC000819314292	943544442	/nfs/dbraw/zinc/54/44/42/943544442.db2.gz	WSGSYRSVNFMHFI-HKUYNNGSSA-N	1	0	371.462	1.644	20	30		FDEDRO
COCC[N@H+](C)CCCC1CCN(C(=O)[C@]2(C#N)CCCOC2)CC1	ZINC000867120891	971095677	/nfs/dbraw/zinc/09/56/77/971095677.db2.gz	XQBUCOSMIUYLPM-IBGZPJMESA-N	1	0	351.491	1.904	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@H](NC(=O)[C@H]2CC[N@@H+]2C2CCCC2)[C@@H](C#N)C1	ZINC000821919240	944759515	/nfs/dbraw/zinc/75/95/15/944759515.db2.gz	AIKWGUCZBMIDHI-CWRNSKLLSA-N	1	0	362.474	1.879	20	30		FDEDRO
C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1cc(F)cc(C#N)c1	ZINC000867122593	971137266	/nfs/dbraw/zinc/13/72/66/971137266.db2.gz	XOMSPLOAGNGWHN-ZDUSSCGKSA-N	1	0	354.451	1.002	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCS(=O)(=O)C1	ZINC000822525125	945027699	/nfs/dbraw/zinc/02/76/99/945027699.db2.gz	KQIPTIURIHOCHG-DOTOQJQBSA-N	1	0	367.515	1.225	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CCC(C(=O)NCCC[NH+](CC)CC)CC1	ZINC000823301237	945653507	/nfs/dbraw/zinc/65/35/07/945653507.db2.gz	HLOSZYJXRXSZBX-INIZCTEOSA-N	1	0	351.491	1.111	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1	ZINC000856478238	971179602	/nfs/dbraw/zinc/17/96/02/971179602.db2.gz	YJPUAYHOKJXKAQ-MJWGMMHASA-N	1	0	360.458	1.141	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)C2)n1	ZINC001090710792	945935195	/nfs/dbraw/zinc/93/51/95/945935195.db2.gz	ATFOJJFLKUZSSP-IIDMSEBBSA-N	1	0	371.485	1.171	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@@H](C)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)n1	ZINC001090754234	946271509	/nfs/dbraw/zinc/27/15/09/946271509.db2.gz	MGOIXFUCOGQAEA-RDTXWAMCSA-N	1	0	371.485	1.313	20	30		FDEDRO
COC(=O)N1CCC(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)CC1	ZINC000824367084	946375738	/nfs/dbraw/zinc/37/57/38/946375738.db2.gz	IJWQUXDFCYDNCA-UHFFFAOYSA-N	1	0	372.469	1.927	20	30		FDEDRO
CC[N@H+](C)Cc1cc(O[C@H]2CCN(CC(=O)NC3(C#N)CCC3)C2)ccn1	ZINC000856585099	971236711	/nfs/dbraw/zinc/23/67/11/971236711.db2.gz	ZBYFEKVAOAIVMS-SFHVURJKSA-N	1	0	371.485	1.549	20	30		FDEDRO
C#CCCCC(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573284514	946750371	/nfs/dbraw/zinc/75/03/71/946750371.db2.gz	FKWYQSUZPUQIQE-MRXNPFEDSA-N	1	0	370.432	1.842	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1	ZINC001090792726	946764973	/nfs/dbraw/zinc/76/49/73/946764973.db2.gz	NXMZGSCTLYKEFM-HZPDHXFCSA-N	1	0	370.501	1.801	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1	ZINC000824861045	946815264	/nfs/dbraw/zinc/81/52/64/946815264.db2.gz	FGHJAOIWHOEKJQ-OAGGEKHMSA-N	1	0	367.490	1.683	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001195893527	971282686	/nfs/dbraw/zinc/28/26/86/971282686.db2.gz	HPGWQBPHWQJQRS-QZTJIDSGSA-N	1	0	364.534	1.286	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CC1	ZINC001573560299	946950357	/nfs/dbraw/zinc/95/03/57/946950357.db2.gz	AYUZJYZAQOEICV-BZNIZROVSA-N	1	0	371.420	1.492	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573560718	946956170	/nfs/dbraw/zinc/95/61/70/946956170.db2.gz	FOFUQPQRXFJYAA-SMDDNHRTSA-N	1	0	357.393	1.198	20	30		FDEDRO
CC(C)[C@H](CCN(C)C(=O)[C@@H](C)C#N)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573561744	946967191	/nfs/dbraw/zinc/96/71/91/946967191.db2.gz	MYTKGVKJEMJQJY-YOEHRIQHSA-N	1	0	369.473	1.989	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1	ZINC001573294269	946982096	/nfs/dbraw/zinc/98/20/96/946982096.db2.gz	ZZYLPRQRTDPEGT-CJNGLKHVSA-N	1	0	355.446	1.697	20	30		FDEDRO
C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1	ZINC001573294407	946988402	/nfs/dbraw/zinc/98/84/02/946988402.db2.gz	BDBJIUJZXICBKF-UHFFFAOYSA-N	1	0	361.837	1.578	20	30		FDEDRO
C=C(Cl)C[N@H+](C)CC1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1	ZINC001573294393	946988794	/nfs/dbraw/zinc/98/87/94/946988794.db2.gz	AOYHIWHZAJVWIP-UHFFFAOYSA-N	1	0	363.853	1.731	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2	ZINC001573564813	946997653	/nfs/dbraw/zinc/99/76/53/946997653.db2.gz	LHRFJFWGDJLUMV-CYBMUJFWSA-N	1	0	351.414	1.061	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@](C)(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573565466	947008164	/nfs/dbraw/zinc/00/81/64/947008164.db2.gz	RDCLKOPCBKHYLO-KPZWWZAWSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573565963	947018096	/nfs/dbraw/zinc/01/80/96/947018096.db2.gz	XPWAPQCYANJEOY-UGSOOPFHSA-N	1	0	353.430	1.355	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC2(C1)CCN(c1cc[nH+]cc1-c1nn[nH]n1)CC2	ZINC001573566283	947021418	/nfs/dbraw/zinc/02/14/18/947021418.db2.gz	AMLXCOVFSFPESR-ZDUSSCGKSA-N	1	0	366.429	1.240	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573567245	947041146	/nfs/dbraw/zinc/04/11/46/947041146.db2.gz	KQNDNHQMVYNSCD-FZMZJTMJSA-N	1	0	357.393	1.246	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@H](CCCC)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573296879	947056843	/nfs/dbraw/zinc/05/68/43/947056843.db2.gz	ADTGEIDUGPCYPN-LBPRGKRZSA-N	1	0	351.842	1.826	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)ccc1F	ZINC000825197239	947076197	/nfs/dbraw/zinc/07/61/97/947076197.db2.gz	VJGOIUVDJRLUOS-YPMHNXCESA-N	1	0	355.435	1.147	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001573298536	947077905	/nfs/dbraw/zinc/07/79/05/947077905.db2.gz	PKDQKGPWRNERGP-IINYFYTJSA-N	1	0	363.853	1.778	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1	ZINC001573298625	947080312	/nfs/dbraw/zinc/08/03/12/947080312.db2.gz	QPFLHDNFYZQMIA-AULYBMBSSA-N	1	0	363.853	1.826	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@]2(C)C1	ZINC001573570466	947089781	/nfs/dbraw/zinc/08/97/81/947089781.db2.gz	PSRGHJUBRGPKCK-CRFBAAHOSA-N	1	0	365.441	1.307	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1	ZINC001090841778	947094937	/nfs/dbraw/zinc/09/49/37/947094937.db2.gz	DIDBOLNFJAHAQW-CRAIPNDOSA-N	1	0	371.485	1.253	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1	ZINC001573572087	947108172	/nfs/dbraw/zinc/10/81/72/947108172.db2.gz	FAYHXIIKFYNOGN-BONVTDFDSA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CC1(C)C	ZINC001573574006	947125987	/nfs/dbraw/zinc/12/59/87/947125987.db2.gz	QGLPVOHAOHZOEG-FZMZJTMJSA-N	1	0	373.486	1.805	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1	ZINC001573575147	947136451	/nfs/dbraw/zinc/13/64/51/947136451.db2.gz	WJXOXVOAQVAHHO-CZUORRHYSA-N	1	0	353.430	1.497	20	30		FDEDRO
C[C@H](C#N)C(=O)NC1(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCCC1	ZINC001573575371	947138464	/nfs/dbraw/zinc/13/84/64/947138464.db2.gz	XZPRMIIFKXNFHQ-LLVKDONJSA-N	1	0	359.459	1.606	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC1CC([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573576613	947154326	/nfs/dbraw/zinc/15/43/26/947154326.db2.gz	IFUDMRLXESWERU-QFWMXSHPSA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1(C)C	ZINC001573577518	947170342	/nfs/dbraw/zinc/17/03/42/947170342.db2.gz	QSKPUPLYFSOVEI-DOMZBBRYSA-N	1	0	353.430	1.353	20	30		FDEDRO
C[C@H](C#N)C(=O)NCCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC001573583780	947208136	/nfs/dbraw/zinc/20/81/36/947208136.db2.gz	OQBIAFMGKYAOSU-CQSZACIVSA-N	1	0	367.457	1.745	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573584217	947216582	/nfs/dbraw/zinc/21/65/82/947216582.db2.gz	RLBVVFJCBYVADG-NEPJUHHUSA-N	1	0	357.393	1.104	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573587221	947304419	/nfs/dbraw/zinc/30/44/19/947304419.db2.gz	YANGRUZDRRQVGO-MJVIPROJSA-N	1	0	357.393	1.150	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cncnc2C)C[C@H]1c1ccc(OC)cc1	ZINC001090865334	947348080	/nfs/dbraw/zinc/34/80/80/947348080.db2.gz	UERVIYIFMINDJD-RBUKOAKNSA-N	1	0	350.422	1.625	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2[NH2+]Cc2cnnn2C)cc1	ZINC001090866557	947404868	/nfs/dbraw/zinc/40/48/68/947404868.db2.gz	IQUVQSNPVWAMDU-DOPJRALCSA-N	1	0	368.441	1.068	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1c1ccc(OC)cc1	ZINC001090871026	947418476	/nfs/dbraw/zinc/41/84/76/947418476.db2.gz	JKWQIYKHWYMTTD-BBWFWOEESA-N	1	0	359.426	1.264	20	30		FDEDRO
C=CCCC(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1	ZINC001573330395	947432553	/nfs/dbraw/zinc/43/25/53/947432553.db2.gz	WZFUDQQTVJURCM-UONOGXRCSA-N	1	0	355.446	1.546	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1c1ccc(OC)cc1	ZINC001090871428	947435900	/nfs/dbraw/zinc/43/59/00/947435900.db2.gz	UPHFACQTVWRBRP-RBUKOAKNSA-N	1	0	352.438	1.189	20	30		FDEDRO
C=C[C@@H]1C[C@]1(NC(=O)[C@H]1[C@@H](O)CCN1Cc1ccccc1)C(=O)OCC	ZINC001143676301	947453892	/nfs/dbraw/zinc/45/38/92/947453892.db2.gz	MZUDTXMSFLEGMQ-AXVVYFOYSA-N	1	0	358.438	1.246	20	30		FDEDRO
C=CCCCC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1	ZINC001573335045	947468866	/nfs/dbraw/zinc/46/88/66/947468866.db2.gz	VMAFLYXUCFVGSM-ZFWWWQNUSA-N	1	0	355.446	1.689	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573335702	947486925	/nfs/dbraw/zinc/48/69/25/947486925.db2.gz	SVOXYRPNFCNACX-XJKSGUPXSA-N	1	0	357.462	1.991	20	30		FDEDRO
C=CCCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573335696	947487500	/nfs/dbraw/zinc/48/75/00/947487500.db2.gz	SVOXYRPNFCNACX-BBRMVZONSA-N	1	0	357.462	1.991	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2coc(OCC)n2)C[C@H]1c1ccc(OC)cc1	ZINC001090875505	947493239	/nfs/dbraw/zinc/49/32/39/947493239.db2.gz	XAPHXHQAGSIXFT-DLBZAZTESA-N	1	0	369.421	1.913	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090872279	947498704	/nfs/dbraw/zinc/49/87/04/947498704.db2.gz	HCWWWCKXANWBRF-RYQLBKOJSA-N	1	0	357.454	1.244	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2cc(F)cc(C#N)c2)CC1	ZINC000867147653	971391082	/nfs/dbraw/zinc/39/10/82/971391082.db2.gz	NOVJSCPNNCEBQH-CYBMUJFWSA-N	1	0	354.451	1.002	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1c1ccc(OC)cc1	ZINC001090874300	947524071	/nfs/dbraw/zinc/52/40/71/947524071.db2.gz	HDCIKINVWFIQHY-FZDIXFNVSA-N	1	0	358.438	1.016	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573343307	947554087	/nfs/dbraw/zinc/55/40/87/947554087.db2.gz	MSJOXPVUKCFZAP-CQSZACIVSA-N	1	0	356.430	1.007	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]cn2)C[C@H]1c1ccc(OC)cc1	ZINC001090882716	947620470	/nfs/dbraw/zinc/62/04/70/947620470.db2.gz	RKBMNTABLUTYKI-RYGJVYDSSA-N	1	0	366.465	1.814	20	30		FDEDRO
CC#CCCCC(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573358059	947657006	/nfs/dbraw/zinc/65/70/06/947657006.db2.gz	DRANSFRJEUOANH-AWEZNQCLSA-N	1	0	353.430	1.280	20	30		FDEDRO
CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1	ZINC001573358754	947671161	/nfs/dbraw/zinc/67/11/61/947671161.db2.gz	PTKSPLIZBGYHMN-SFHVURJKSA-N	1	0	353.430	1.146	20	30		FDEDRO
CO[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1	ZINC001090948856	948084078	/nfs/dbraw/zinc/08/40/78/948084078.db2.gz	ZAFDLHCQVIYUNM-IAGOWNOFSA-N	1	0	357.458	1.066	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C2	ZINC001110715247	971458646	/nfs/dbraw/zinc/45/86/46/971458646.db2.gz	SOEGEILVTUCFMZ-TVFCKZIOSA-N	1	0	364.534	1.473	20	30		FDEDRO
CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(C#N)cn2)O1	ZINC001144157507	948300012	/nfs/dbraw/zinc/30/00/12/948300012.db2.gz	MAHKXXMJNMBQEI-KZNAEPCWSA-N	1	0	358.442	1.180	20	30		FDEDRO
C[NH+](C)CCN1CCN(Cn2ccc(-c3ccc(C#N)cc3)n2)CC1=O	ZINC000844713383	948319745	/nfs/dbraw/zinc/31/97/45/948319745.db2.gz	APVBMOXPEBGELN-UHFFFAOYSA-N	1	0	352.442	1.085	20	30		FDEDRO
C=C(C(=O)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1)C(F)(F)F	ZINC001144207411	948380528	/nfs/dbraw/zinc/38/05/28/948380528.db2.gz	IQFLYFDXSRPUJD-UHFFFAOYSA-N	1	0	366.347	1.818	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1Nc1ccncc1C#N	ZINC001091011846	948438646	/nfs/dbraw/zinc/43/86/46/948438646.db2.gz	PAVAMTNRVHSPMO-CRAIPNDOSA-N	1	0	355.486	1.898	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc3c2ncn3C)C1	ZINC001196116162	971487503	/nfs/dbraw/zinc/48/75/03/971487503.db2.gz	UWOCAXLTUGUALD-HZPDHXFCSA-N	1	0	357.458	1.490	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC([NH2+]CCn2nc(C)nc2C)C1	ZINC001091034756	948560130	/nfs/dbraw/zinc/56/01/30/948560130.db2.gz	TZYMMZGAUMRFKN-HIEASXQVSA-N	1	0	361.490	1.361	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NCCn3cncn3)CC2)c1	ZINC000844946975	948564756	/nfs/dbraw/zinc/56/47/56/948564756.db2.gz	DAWBMVIWPPWOGF-UHFFFAOYSA-N	1	0	353.430	1.114	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@H]3OCCN(C(=O)CCC[NH+](C)C)[C@H]3C2)n1	ZINC001091058083	948763488	/nfs/dbraw/zinc/76/34/88/948763488.db2.gz	DMKZYHBVJODRNV-DLBZAZTESA-N	1	0	357.458	1.020	20	30		FDEDRO
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	ZINC000845174784	948771408	/nfs/dbraw/zinc/77/14/08/948771408.db2.gz	TUIWSDSBTYJNIM-SFHVURJKSA-N	1	0	373.501	1.259	20	30		FDEDRO
C=C(Br)CNC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C	ZINC000845302547	949009439	/nfs/dbraw/zinc/00/94/39/949009439.db2.gz	UYXRPHGEAGRXAP-NSHDSACASA-N	1	0	364.284	1.856	20	30		FDEDRO
C[N@H+](CC(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1O)CC(C)(C)C	ZINC001196199439	971534923	/nfs/dbraw/zinc/53/49/23/971534923.db2.gz	GWUJNGGSEXXNBJ-HZPDHXFCSA-N	1	0	364.515	1.259	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1	ZINC001196222580	971561859	/nfs/dbraw/zinc/56/18/59/971561859.db2.gz	TUNXIEFEWUYRDS-IAGOWNOFSA-N	1	0	351.878	1.075	20	30		FDEDRO
Cc1nc(N2C[C@@H](NC(=O)CCC[NH+]3CCCCC3)[C@@H](O)C2)ccc1C#N	ZINC001091105217	949270033	/nfs/dbraw/zinc/27/00/33/949270033.db2.gz	KAXRBWRAPXWMRX-MSOLQXFVSA-N	1	0	371.485	1.194	20	30		FDEDRO
CCON(C)C(=O)CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000845569521	949531850	/nfs/dbraw/zinc/53/18/50/949531850.db2.gz	LLUMLGRIHIRVEI-UHFFFAOYSA-N	1	0	373.457	1.185	20	30		FDEDRO
N#Cc1ccccc1CN1C(=O)CN(C[N@H+](C[C@@H]2CCOC2)C2CC2)C1=O	ZINC000102390253	971589526	/nfs/dbraw/zinc/58/95/26/971589526.db2.gz	RMYRCMYSBKOIOJ-HNNXBMFYSA-N	1	0	368.437	1.781	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1	ZINC000857176112	971628310	/nfs/dbraw/zinc/62/83/10/971628310.db2.gz	NONCJIZYBWEYLZ-QGZVFWFLSA-N	1	0	350.484	1.826	20	30		FDEDRO
CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)[C@@H](C)C#N	ZINC001574151102	950055320	/nfs/dbraw/zinc/05/53/20/950055320.db2.gz	KYAIGELIQNOAHQ-SWLSCSKDSA-N	1	0	373.436	1.786	20	30		FDEDRO
C[C@H](CNC(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F	ZINC001574984573	950276643	/nfs/dbraw/zinc/27/66/43/950276643.db2.gz	ZDFXLBZSIJAEHP-SNVBAGLBSA-N	1	0	368.376	1.114	20	30		FDEDRO
Cc1nn(C)c(N2CCOCC2)c1C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1	ZINC000846008170	950327018	/nfs/dbraw/zinc/32/70/18/950327018.db2.gz	SGWKRMIZUCRLFE-LJQANCHMSA-N	1	0	369.469	1.602	20	30		FDEDRO
C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1ccc(C#N)s1	ZINC001574745155	950374399	/nfs/dbraw/zinc/37/43/99/950374399.db2.gz	FYXDBHDFOYVUNI-JTQLQIEISA-N	1	0	370.442	1.378	20	30		FDEDRO
CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H](C)Cc1cccc(C#N)c1)C2	ZINC001171212450	950517919	/nfs/dbraw/zinc/51/79/19/950517919.db2.gz	MYUUYDANPHLARY-LKUPVBHCSA-N	1	0	371.481	1.875	20	30		FDEDRO
CNC(=O)CN1C(=O)CC[C@]12CCC[N@@H+]([C@H](C)Cc1cccc(C#N)c1)C2	ZINC001171213317	950546726	/nfs/dbraw/zinc/54/67/26/950546726.db2.gz	YQRWNCJHDVZOST-IERDGZPVSA-N	1	0	368.481	1.692	20	30		FDEDRO
C[C@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@@H]2COC[C@]2(COCC(=O)N(C)C)C1	ZINC001171213398	950551542	/nfs/dbraw/zinc/55/15/42/950551542.db2.gz	ZXJGXNHLODKVPN-BSIFCXSSSA-N	1	0	371.481	1.542	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccc(F)cc2)C[C@H]1O	ZINC001196475498	971702635	/nfs/dbraw/zinc/70/26/35/971702635.db2.gz	XTKYYXHQCASILW-KZNAEPCWSA-N	1	0	364.461	1.493	20	30		FDEDRO
C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1	ZINC001575020146	951051384	/nfs/dbraw/zinc/05/13/84/951051384.db2.gz	ZDLBNMRSDFOIGR-LBPRGKRZSA-N	1	0	364.413	1.317	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](OCC)C1	ZINC000846455539	951086204	/nfs/dbraw/zinc/08/62/04/951086204.db2.gz	CQRGKRBRYIAAEF-HUUCEWRRSA-N	1	0	355.479	1.492	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC([NH2+]Cc2nnc(C)n2C2CC2)C1	ZINC001091239060	951128272	/nfs/dbraw/zinc/12/82/72/951128272.db2.gz	LMYNTGYGZQUGFF-MMADZMRASA-N	1	0	359.474	1.497	20	30		FDEDRO
C[C@H](Cc1cccc(C#N)c1)N([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccccn1	ZINC001171228498	951164020	/nfs/dbraw/zinc/16/40/20/951164020.db2.gz	GXKIAGNGLRCSFX-CRAIPNDOSA-N	1	0	370.478	1.937	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cnc4cccnn43)CC2)c1	ZINC000846611537	951373941	/nfs/dbraw/zinc/37/39/41/951373941.db2.gz	CADPHSSROWNALX-UHFFFAOYSA-N	1	0	360.421	1.995	20	30		FDEDRO
COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CCCC1	ZINC000846677591	951440346	/nfs/dbraw/zinc/44/03/46/951440346.db2.gz	NUEMKAUUBRBDKK-SUMWQHHRSA-N	1	0	352.438	1.756	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)c2)C1	ZINC001091405497	951601238	/nfs/dbraw/zinc/60/12/38/951601238.db2.gz	ACZZMWZJBPKBHI-OWYHZJEWSA-N	1	0	355.438	1.352	20	30		FDEDRO
N#Cc1cccnc1C(=O)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1	ZINC001196555049	971773289	/nfs/dbraw/zinc/77/32/89/971773289.db2.gz	UDILOAACDCOLEE-UHFFFAOYSA-N	1	0	374.408	1.280	20	30		FDEDRO
C#C[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1	ZINC000847033614	951782812	/nfs/dbraw/zinc/78/28/12/951782812.db2.gz	YYAGIWRKOFHTDS-KRWDZBQOSA-N	1	0	369.465	1.120	20	30		FDEDRO
C[C@]12CN(C(=O)C3=COCCO3)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001091455716	951838297	/nfs/dbraw/zinc/83/82/97/951838297.db2.gz	IWXPCPVRPJLRSY-NQIIRXRSSA-N	1	0	352.434	1.707	20	30		FDEDRO
C[C@]12CN(C(=O)Cn3cccn3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1F)C2	ZINC001091482346	951864414	/nfs/dbraw/zinc/86/44/14/951864414.db2.gz	KJUWLXQYBHVQQS-XLIONFOSSA-N	1	0	367.428	1.874	20	30		FDEDRO
C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]Cc1ccc(C#N)s1	ZINC001575103344	951875874	/nfs/dbraw/zinc/87/58/74/951875874.db2.gz	SPEJUDHLTMHTRK-JTQLQIEISA-N	1	0	370.442	1.284	20	30		FDEDRO
Cn1cc(CC(=O)N2C[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@@]3(C)C2)cn1	ZINC001091528546	951946396	/nfs/dbraw/zinc/94/63/96/951946396.db2.gz	JNNPHZXEANBFHW-IRLDBZIGSA-N	1	0	362.477	1.795	20	30		FDEDRO
C[NH+](C)CCC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1c1ccccc1	ZINC001091531307	951958595	/nfs/dbraw/zinc/95/85/95/951958595.db2.gz	BRBMWHSFQAXUPY-RBUKOAKNSA-N	1	0	363.465	1.994	20	30		FDEDRO
C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]Cc1cccc(C#N)c1	ZINC001575115506	951964976	/nfs/dbraw/zinc/96/49/76/951964976.db2.gz	XMOKGZFHPLZIKO-LBPRGKRZSA-N	1	0	364.413	1.222	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[C@@H](Nc2ccncc2C#N)C1	ZINC001091579141	952126467	/nfs/dbraw/zinc/12/64/67/952126467.db2.gz	YWZLOLVTRDLYLE-XYJFISCASA-N	1	0	371.485	1.040	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001571084277	952188318	/nfs/dbraw/zinc/18/83/18/952188318.db2.gz	GGWATEFTSOAHJP-SWLSCSKDSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1	ZINC001571084490	952189674	/nfs/dbraw/zinc/18/96/74/952189674.db2.gz	IECPQNFIWMYVQW-TZMCWYRMSA-N	1	0	371.420	1.636	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ccn(C)c4)C[C@]3(C)C2)C1=O	ZINC001091596196	952203659	/nfs/dbraw/zinc/20/36/59/952203659.db2.gz	QTRWTPNFIZNESJ-HLIPFELVSA-N	1	0	356.470	1.206	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@]3(C)C2)C1=O	ZINC001091605204	952232091	/nfs/dbraw/zinc/23/20/91/952232091.db2.gz	VSNNHKWLLJUTJT-LIVBEALHSA-N	1	0	367.453	1.067	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)Cc4ccc(C)o4)C[C@]3(C)C2)C1=O	ZINC001091608459	952270975	/nfs/dbraw/zinc/27/09/75/952270975.db2.gz	VLHSTKOIJKOFAL-MMOPVJDHSA-N	1	0	371.481	1.698	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@]2(C)C1)n1cncn1	ZINC001091610193	952278374	/nfs/dbraw/zinc/27/83/74/952278374.db2.gz	JJTVOTUTDBFFKA-IYOUNJFTSA-N	1	0	370.482	1.753	20	30		FDEDRO
C=C(Br)CN1C[C@@H]2CN(C(=O)c3cncnc3)C[C@]2(C)C1	ZINC001091616642	952312304	/nfs/dbraw/zinc/31/23/04/952312304.db2.gz	QELVLVVZGJESOD-HIFRSBDPSA-N	1	0	351.248	1.779	20	30		FDEDRO
N#Cc1cncc(N[C@@H]2CC[C@H](CNC(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)n1	ZINC001091620669	952335900	/nfs/dbraw/zinc/33/59/00/952335900.db2.gz	BREPKRBBPNGXDD-ZSZQSSIHSA-N	1	0	368.485	1.919	20	30		FDEDRO
CC(=O)N1CC(C(=O)N2C[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@@]3(C)C2)C1	ZINC001091626199	952365493	/nfs/dbraw/zinc/36/54/93/952365493.db2.gz	ARLKNJOGEPKSJP-IRLDBZIGSA-N	1	0	365.477	1.297	20	30		FDEDRO
C[C@]12CN(C(=O)Cc3cncnc3)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001091633261	952406943	/nfs/dbraw/zinc/40/69/43/952406943.db2.gz	BAGVHJRMTCUGLN-CTNGQTDRSA-N	1	0	361.449	1.871	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@@]3(C)C2)o1	ZINC001091645804	952476862	/nfs/dbraw/zinc/47/68/62/952476862.db2.gz	XGPDAOGFMLTCGV-ACJLOTCBSA-N	1	0	371.466	1.834	20	30		FDEDRO
Cn1cc(C(=O)N2C[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@@]3(C)C2)nn1	ZINC001091645992	952477684	/nfs/dbraw/zinc/47/76/84/952477684.db2.gz	GQFXPTSPFXUERM-APWZRJJASA-N	1	0	350.426	1.281	20	30		FDEDRO
C[C@H]1CCCN(C(=O)C[N@@H+]2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]3(C)C2)C1	ZINC001091659944	952520848	/nfs/dbraw/zinc/52/08/48/952520848.db2.gz	WOOQUUWFNNETDH-CDXJDZJCSA-N	1	0	357.498	1.439	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1C[C@@H](CNc2ccc(C#N)cn2)[C@H](OCC)C1	ZINC001091668080	952566017	/nfs/dbraw/zinc/56/60/17/952566017.db2.gz	BDTRHVRBHMIVMK-IAGOWNOFSA-N	1	0	359.474	1.570	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cc(Br)n[nH]3)C[C@]2(C)C1	ZINC001091709746	952699352	/nfs/dbraw/zinc/69/93/52/952699352.db2.gz	YAYKFHGWWOIXSR-ABAIWWIYSA-N	1	0	351.248	1.589	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(CC)on3)C2)C1=O	ZINC001086856864	952903357	/nfs/dbraw/zinc/90/33/57/952903357.db2.gz	XWEPUUYUPWHXTL-LZWOXQAQSA-N	1	0	360.458	1.512	20	30		FDEDRO
CCN1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)C1	ZINC001086880793	952911602	/nfs/dbraw/zinc/91/16/02/952911602.db2.gz	OXFZDNPWPXRIGJ-ZCNNSNEGSA-N	1	0	370.497	1.653	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3nnc(C)n3C2)C1	ZINC001086881995	952913474	/nfs/dbraw/zinc/91/34/74/952913474.db2.gz	VMYKSGBJKPIAHH-SOUVJXGZSA-N	1	0	351.882	1.776	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)C2)C1=O	ZINC001086886585	952939304	/nfs/dbraw/zinc/93/93/04/952939304.db2.gz	LCKCQSKJTVPJHS-ROJCJYFNSA-N	1	0	371.525	1.940	20	30		FDEDRO
CO[C@@H](C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001086969417	952969209	/nfs/dbraw/zinc/96/92/09/952969209.db2.gz	RAZDXRYSDCGVLS-ZOCIIQOWSA-N	1	0	367.453	1.411	20	30		FDEDRO
Cc1cncc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2c2cnn(C)c2)c1	ZINC001086970684	952972461	/nfs/dbraw/zinc/97/24/61/952972461.db2.gz	FAXIZUWSOHPVGF-FHLIZLRMSA-N	1	0	352.442	1.367	20	30		FDEDRO
COc1cccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2c2cnn(C)c2)n1	ZINC001086971086	952973223	/nfs/dbraw/zinc/97/32/23/952973223.db2.gz	WUXGMIKOXFCVKQ-RRQGHBQHSA-N	1	0	368.441	1.068	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2[NH2+]CC[C@@H]2CCCO2)cn1	ZINC001086978109	952989392	/nfs/dbraw/zinc/98/93/92/952989392.db2.gz	DTSIKRAGOBXXCX-GBESFXJTSA-N	1	0	356.470	1.287	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2F)C[C@H]1c1cnn(C)c1	ZINC001086979420	952993169	/nfs/dbraw/zinc/99/31/69/952993169.db2.gz	ZEJVACMGJYLSII-UWWQBHOKSA-N	1	0	370.428	1.544	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ncnc3sccc32)C[C@H]1c1cnn(C)c1	ZINC001086979755	952993604	/nfs/dbraw/zinc/99/36/04/952993604.db2.gz	QCEHYXAZAVAZAX-LSDHHAIUSA-N	1	0	368.466	1.809	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1c1cnn(C)c1	ZINC001086982413	952995295	/nfs/dbraw/zinc/99/52/95/952995295.db2.gz	ICFNFHLEBUFKGW-DLBZAZTESA-N	1	0	365.909	1.541	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)COc2cc(C)on2)C[C@H]1c1cnn(C)c1	ZINC001086982867	952996150	/nfs/dbraw/zinc/99/61/50/952996150.db2.gz	IXGBCZPBMQLDJU-JKSUJKDBSA-N	1	0	359.430	1.256	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1cnn(C)c1	ZINC001086988111	953011436	/nfs/dbraw/zinc/01/14/36/953011436.db2.gz	DTCKUHRQAKUTLZ-LUMDGCDRSA-N	1	0	356.470	1.304	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC[C@H]2CCOC2)C1	ZINC001086990491	953017797	/nfs/dbraw/zinc/01/77/97/953017797.db2.gz	FRPJWIJXTKTONZ-RYQLBKOJSA-N	1	0	360.502	1.943	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc3ccccc3nn2)C[C@H]1c1cnn(C)c1	ZINC001086990603	953018377	/nfs/dbraw/zinc/01/83/77/953018377.db2.gz	LSSLFZGASGBMGW-QFBILLFUSA-N	1	0	360.421	1.194	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3cccnc32)C[C@H]1c1cnn(C)c1	ZINC001086993476	953027068	/nfs/dbraw/zinc/02/70/68/953027068.db2.gz	BKQLHZHRMFHQSW-OKZBNKHCSA-N	1	0	351.454	1.615	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nccc3ccccc32)C[C@H]1c1cnn(C)c1	ZINC001086993630	953027621	/nfs/dbraw/zinc/02/76/21/953027621.db2.gz	JMJRYQDUCWLESC-RBUKOAKNSA-N	1	0	359.433	1.799	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(F)c(F)cc2F)C[C@H]1c1cnn(C)c1	ZINC001086994066	953028590	/nfs/dbraw/zinc/02/85/90/953028590.db2.gz	GUCZGPOCAHYCRJ-SUMWQHHRSA-N	1	0	362.355	1.668	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1c1cnn(C)c1	ZINC001086981948	953034428	/nfs/dbraw/zinc/03/44/28/953034428.db2.gz	LXBVJHLOXOSXCB-JKSUJKDBSA-N	1	0	365.909	1.541	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3nc[nH]c32)C[C@H]1c1cnn(C)c1	ZINC001086995920	953035380	/nfs/dbraw/zinc/03/53/80/953035380.db2.gz	DCCBPEKYAACZGT-SOLBZPMBSA-N	1	0	368.485	1.723	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC(C)C)C2)c1	ZINC001086996152	953036408	/nfs/dbraw/zinc/03/64/08/953036408.db2.gz	QKZRIPTVEWDBRA-RBUKOAKNSA-N	1	0	351.454	1.650	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccc(C)nc2OC)C[C@H]1c1cnn(C)c1	ZINC001087000657	953051373	/nfs/dbraw/zinc/05/13/73/953051373.db2.gz	HYLQHWALYOYASR-ZWKOTPCHSA-N	1	0	369.469	1.906	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2noc3c2C[C@H](C)CC3)C[C@H]1c1cnn(C)c1	ZINC001087004004	953060853	/nfs/dbraw/zinc/06/08/53/953060853.db2.gz	AGJUNKCZAOSJEA-XOKHGSTOSA-N	1	0	369.469	1.917	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ncccc2OCCC)C[C@H]1c1cnn(C)c1	ZINC001086994891	953066535	/nfs/dbraw/zinc/06/65/35/953066535.db2.gz	ZUXCBYHEFYYRGU-DLBZAZTESA-N	1	0	369.469	1.988	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3cccnc3C2)C[C@H]1c1cnn(C)c1	ZINC001087007139	953092209	/nfs/dbraw/zinc/09/22/09/953092209.db2.gz	OWZPEVIELIELBH-HHXXYDBFSA-N	1	0	351.454	1.300	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCc2c(C)noc2C)C[C@H]1c1cnn(C)c1	ZINC001087008900	953096296	/nfs/dbraw/zinc/09/62/96/953096296.db2.gz	COEZZUJANPGOGZ-ZWKOTPCHSA-N	1	0	357.458	1.728	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccc3n[nH]nc3c2)C[C@H]1c1cnn(C)c1	ZINC001087009234	953097182	/nfs/dbraw/zinc/09/71/82/953097182.db2.gz	WYYQOTKWNROITG-MAUKXSAKSA-N	1	0	365.441	1.465	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2nc(C)cc2C)C[C@H]1c1cnn(C)c1	ZINC001087009663	953099220	/nfs/dbraw/zinc/09/92/20/953099220.db2.gz	RNQRTMYLKUTZPK-YTQUADARSA-N	1	0	370.501	1.955	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2c(C)nn(C)c2C)C[C@H]1c1cnn(C)c1	ZINC001087011853	953104836	/nfs/dbraw/zinc/10/48/36/953104836.db2.gz	UHIDKWHJNMSIRT-JEBQAFNWSA-N	1	0	368.485	1.091	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2ccc(C)s2)C[C@H]1c1cnn(C)c1	ZINC001087012341	953106191	/nfs/dbraw/zinc/10/61/91/953106191.db2.gz	RQRQHPRBEYIYLR-ZWKOTPCHSA-N	1	0	356.495	1.940	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc3n(c2)CCCC3)C[C@H]1c1cnn(C)c1	ZINC001087012551	953106914	/nfs/dbraw/zinc/10/69/14/953106914.db2.gz	CVCSZAXTZLANMS-RBUKOAKNSA-N	1	0	353.470	1.942	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccon2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087030685	953125389	/nfs/dbraw/zinc/12/53/89/953125389.db2.gz	USRPFDYGEWDBSQ-SJLPKXTDSA-N	1	0	354.410	1.813	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1nnc(CC)s1	ZINC001087035960	953146158	/nfs/dbraw/zinc/14/61/58/953146158.db2.gz	SNCSNUCOYLPUMN-JHJVBQTASA-N	1	0	351.476	1.213	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)/C=C/C3CC3)C[C@H]2OCC)C1=O	ZINC001087039259	953155139	/nfs/dbraw/zinc/15/51/39/953155139.db2.gz	NGZMZHUQYQOSPM-RCKLCRPTSA-N	1	0	361.486	1.193	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087044691	953168035	/nfs/dbraw/zinc/16/80/35/953168035.db2.gz	ZWSKVHREQAZCKR-IEBWSBKVSA-N	1	0	367.453	1.559	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](OC)C2CC2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087050195	953176703	/nfs/dbraw/zinc/17/67/03/953176703.db2.gz	PMZVUNAEBHVPLG-AQNXPRMDSA-N	1	0	371.481	1.936	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2cc(OC)no2)[C@H](OCC)C1	ZINC001087071781	953226486	/nfs/dbraw/zinc/22/64/86/953226486.db2.gz	CWTVMNOEMPRJPZ-UKRRQHHQSA-N	1	0	351.447	1.849	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H](C)c2nncn2C)[C@H](OCC)C1	ZINC001087071864	953226638	/nfs/dbraw/zinc/22/66/38/953226638.db2.gz	HAASXWWEYMWOBV-BZUAXINKSA-N	1	0	363.506	1.932	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cnns3)[C@H](OCC)C2)nc1	ZINC001087097226	953283983	/nfs/dbraw/zinc/28/39/83/953283983.db2.gz	CVFRNIAXUPPVNN-RHSMWYFYSA-N	1	0	371.466	1.181	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)Cc3ccc(C(N)=O)nc3)C[C@]2(C)C1	ZINC001091785587	953303109	/nfs/dbraw/zinc/30/31/09/953303109.db2.gz	JMWDOGVEQIWGMI-UZLBHIALSA-N	1	0	356.470	1.470	20	30		FDEDRO
C[C@]12CN(C(=O)c3cn[nH]n3)C[C@H]1C[N@H+](CC#Cc1ccc(F)cc1)C2	ZINC001091810089	953343953	/nfs/dbraw/zinc/34/39/53/953343953.db2.gz	JREHLZXLGQCBCD-BEFAXECRSA-N	1	0	353.401	1.389	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1C[C@@H]2CN(c3snc(C)c3C#N)CC[C@@H]2C1	ZINC001091859482	953580697	/nfs/dbraw/zinc/58/06/97/953580697.db2.gz	JNWKWUZGQSNTFQ-CABCVRRESA-N	1	0	361.515	1.950	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)C3(n4cnnn4)CCCCC3)C[C@]2(C)C1	ZINC001091903473	953666594	/nfs/dbraw/zinc/66/65/94/953666594.db2.gz	KTUUGKUXZBQJOW-AEFFLSMTSA-N	1	0	356.474	1.136	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C3(n4cnnn4)CCCCC3)C[C@]2(C)C1	ZINC001091903454	953667135	/nfs/dbraw/zinc/66/71/35/953667135.db2.gz	JWTGZOONGRQNBP-AEFFLSMTSA-N	1	0	358.490	1.689	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001091926674	953718286	/nfs/dbraw/zinc/71/82/86/953718286.db2.gz	KQVMVMBJQRMKFX-AGRFSFNASA-N	1	0	351.450	1.731	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3C[N@@H+](Cc4cn(C)nc4C)C[C@@]3(C)C2)c1	ZINC001091996905	953913196	/nfs/dbraw/zinc/91/31/96/953913196.db2.gz	DFRUVPHBGPTPCP-CTNGQTDRSA-N	1	0	363.465	1.699	20	30		FDEDRO
Cc1cc(C#N)nc(N2CC[C@H](NC(=O)CC[NH+]3CCCCC3)[C@H]2C)n1	ZINC001091976556	953970454	/nfs/dbraw/zinc/97/04/54/953970454.db2.gz	NZMQWJBRDGKXEC-WBVHZDCISA-N	1	0	356.474	1.616	20	30		FDEDRO
Cn1cc(C(=O)N2C[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@@]3(C)C2)[nH]c1=O	ZINC001091978959	953975549	/nfs/dbraw/zinc/97/55/49/953975549.db2.gz	MKRCTPOTZNMMEG-UZLBHIALSA-N	1	0	365.437	1.591	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)CCC2CCCC2)C1	ZINC001196933728	971978357	/nfs/dbraw/zinc/97/83/57/971978357.db2.gz	WMGMGXILSPGAOV-IAGOWNOFSA-N	1	0	351.491	1.201	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3ccnc(OC)c3)C[C@@]2(C)C1	ZINC001092029826	954128920	/nfs/dbraw/zinc/12/89/20/954128920.db2.gz	KBLRLJQNPFIMLL-WIRSXHRWSA-N	1	0	371.481	1.962	20	30		FDEDRO
C[C@@H](COCC(=O)N[C@H]1CCN(c2ccncc2C#N)[C@@H]1C)[NH+]1CCCC1	ZINC001092051259	954140064	/nfs/dbraw/zinc/14/00/64/954140064.db2.gz	RPNYRPQVZHDOII-JZXOWHBKSA-N	1	0	371.485	1.538	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC(=O)N(CC)CC)C1	ZINC001196969989	971991769	/nfs/dbraw/zinc/99/17/69/971991769.db2.gz	RSEBKFFJPKLDGY-BRWVUGGUSA-N	1	0	353.507	1.541	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cccn(CC(C)C)c3=O)C[C@]2(C)C1	ZINC001092074008	954214301	/nfs/dbraw/zinc/21/43/01/954214301.db2.gz	HHVXLKUHNCMFMZ-UTKZUKDTSA-N	1	0	355.482	1.922	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@@]3(C)C2)cc1	ZINC001092078190	954224774	/nfs/dbraw/zinc/22/47/74/954224774.db2.gz	ZJJVIYITNICBKW-UTKZUKDTSA-N	1	0	369.465	1.181	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cn(C)nc3C)C[C@H]21	ZINC000961996598	1013121567	/nfs/dbraw/zinc/12/15/67/1013121567.db2.gz	VBGVUBHSMKJRAF-QTMHVTGLSA-N	1	0	358.486	1.646	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)c4nc[nH]n4)C[C@]3(C)C2)cc1C#N	ZINC001092109811	954338203	/nfs/dbraw/zinc/33/82/03/954338203.db2.gz	XVMLLXSERUDLJV-BEFAXECRSA-N	1	0	366.425	1.279	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cn(CC)cn4)C[C@]3(C)C2)C1=O	ZINC001092203567	954532489	/nfs/dbraw/zinc/53/24/89/954532489.db2.gz	CRLTVNQYVWGVJZ-SYNHAJSKSA-N	1	0	371.485	1.084	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]1C[N@H+](Cc1ccc(F)c(C#N)c1)C2	ZINC001092214566	954541935	/nfs/dbraw/zinc/54/19/35/954541935.db2.gz	BHMCCEBDIJOOKX-SYNHAJSKSA-N	1	0	370.428	1.256	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@]2(C)C1	ZINC001092232360	954578536	/nfs/dbraw/zinc/57/85/36/954578536.db2.gz	JAHZOVJPQNZBGA-NQIIRXRSSA-N	1	0	353.466	1.079	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@H+](C[C@H]4CCCOC4)C[C@@]3(C)C2)nc1	ZINC001092211899	954620364	/nfs/dbraw/zinc/62/03/64/954620364.db2.gz	SXJBZKDSFMHKQF-OPYAIIAOSA-N	1	0	353.466	1.883	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+](Cc4ocnc4C)C[C@@]3(C)C2)nc1	ZINC001092211876	954620985	/nfs/dbraw/zinc/62/09/85/954620985.db2.gz	RSKKGRAYASTYIW-UZLBHIALSA-N	1	0	350.422	1.953	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+](Cc4cnoc4C)C[C@@]3(C)C2)nc1	ZINC001092211947	954621036	/nfs/dbraw/zinc/62/10/36/954621036.db2.gz	VOUJJDUOVCWQQA-XLIONFOSSA-N	1	0	350.422	1.953	20	30		FDEDRO
C[NH+](C)CCC(=O)N1C[C@H]2CN(c3snc(Cl)c3C#N)C[C@@]2(C)C1	ZINC001092305118	954767661	/nfs/dbraw/zinc/76/76/61/954767661.db2.gz	BPNPLKAPCCRXJL-MEDUHNTESA-N	1	0	367.906	1.905	20	30		FDEDRO
C[N@H+](CC(=O)N1C[C@H]2CN(c3nccnc3C#N)C[C@@]2(C)C1)CC(C)(C)C	ZINC001092307391	954775441	/nfs/dbraw/zinc/77/54/41/954775441.db2.gz	UWNGCQGHQBVZAB-MGPUTAFESA-N	1	0	370.501	1.611	20	30		FDEDRO
C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)c1nccn12	ZINC001092398121	955007995	/nfs/dbraw/zinc/00/79/95/955007995.db2.gz	HHPLDVMJPBXATK-PMPSAXMXSA-N	1	0	371.485	1.323	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CNC(=O)C[N@@H+]1CCC(C)(C)C1	ZINC001092445942	955121189	/nfs/dbraw/zinc/12/11/89/955121189.db2.gz	DDKQQJVTOCXONG-HUUCEWRRSA-N	1	0	356.474	1.269	20	30		FDEDRO
C[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C	ZINC001092416118	955148354	/nfs/dbraw/zinc/14/83/54/955148354.db2.gz	RRJYJLPBQQVEEW-VMGRFDJRSA-N	1	0	359.449	1.621	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](CNC(=O)[C@@H](C3CC3)[NH+](C)C)[C@H](C)C2)n1	ZINC001092416141	955148595	/nfs/dbraw/zinc/14/85/95/955148595.db2.gz	SNWSLBJCXAQYAU-SRCQZFHVSA-N	1	0	356.474	1.185	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)c3cc(CC)n[nH]3)[C@H](C)C2)C1=O	ZINC001092474825	955216923	/nfs/dbraw/zinc/21/69/23/955216923.db2.gz	BLOMHJSKNCKZFZ-CPUCHLNUSA-N	1	0	359.474	1.057	20	30		FDEDRO
Cc1nsc(N2C[C@@H](C)[C@H](CCNC(=O)[C@H]3CCC[N@@H+]3C)C2)c1C#N	ZINC001092484570	955240436	/nfs/dbraw/zinc/24/04/36/955240436.db2.gz	SNCKWUJKTWGVOF-XNRPHZJLSA-N	1	0	361.515	1.996	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)[C@H]1CCC(=O)N1	ZINC001092507628	955283711	/nfs/dbraw/zinc/28/37/11/955283711.db2.gz	JELFPVUBISRXTJ-SRCQZFHVSA-N	1	0	358.417	1.160	20	30		FDEDRO
Cc1c(C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2C)nnn1C	ZINC001092518365	955303259	/nfs/dbraw/zinc/30/32/59/955303259.db2.gz	OTLMELZUFOPZJL-CXAGYDPISA-N	1	0	352.442	1.493	20	30		FDEDRO
Cc1cc(N2C[C@@H](C)[C@H](CCNC(=O)C[NH+]3CCCC3)C2)c(C#N)cn1	ZINC001092518877	955305023	/nfs/dbraw/zinc/30/50/23/955305023.db2.gz	AAGDWCBEWRQXPS-NVXWUHKLSA-N	1	0	355.486	1.936	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](CCNC(=O)[C@@H](C3CC3)[NH+](C)C)C2)n1	ZINC001092550331	955397594	/nfs/dbraw/zinc/39/75/94/955397594.db2.gz	UNKZWMLSQFPNEP-MZMPZRCHSA-N	1	0	370.501	1.576	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)N2CCCC[C@H]2C)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC001092550910	955399954	/nfs/dbraw/zinc/39/99/54/955399954.db2.gz	YEYDUDOHPAGYHO-BZUAXINKSA-N	1	0	371.485	1.585	20	30		FDEDRO
C[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC001092554793	955423747	/nfs/dbraw/zinc/42/37/47/955423747.db2.gz	JMCOYKAFIPLPKB-DDUZABMNSA-N	1	0	369.469	1.337	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)c3coc(CC)n3)[C@H](C)C2)C1=O	ZINC001092557548	955439556	/nfs/dbraw/zinc/43/95/56/955439556.db2.gz	XXENXLCYXNVNRV-FMKPAKJESA-N	1	0	360.458	1.322	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC001092530582	955488477	/nfs/dbraw/zinc/48/84/77/955488477.db2.gz	FPGHDNOGPMTRRI-CZUORRHYSA-N	1	0	353.426	1.083	20	30		FDEDRO
C[C@@H]1CN(c2ncccc2C#N)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1	ZINC001092532420	955497328	/nfs/dbraw/zinc/49/73/28/955497328.db2.gz	FYDQKJBMYZLZJW-CRAIPNDOSA-N	1	0	355.486	1.874	20	30		FDEDRO
COc1ncc(C[N@H+]2C[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)c(C)n1	ZINC001092532276	955497639	/nfs/dbraw/zinc/49/76/39/955497639.db2.gz	TZAXARXBTLAVFU-IUODEOHRSA-N	1	0	368.441	1.491	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1CCNC(=O)COCC[NH+](C)C	ZINC001092532626	955499136	/nfs/dbraw/zinc/49/91/36/955499136.db2.gz	LCAQBDCIGCSITQ-NVXWUHKLSA-N	1	0	359.474	1.110	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C	ZINC001092595150	955588476	/nfs/dbraw/zinc/58/84/76/955588476.db2.gz	DAPJNTTWYMSQKE-JFIYKMOQSA-N	1	0	370.501	1.801	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)NCC[C@@H]2CN(c3nccnc3C#N)C[C@H]2C)C1	ZINC001092584139	955731359	/nfs/dbraw/zinc/73/13/59/955731359.db2.gz	IWJSCDFXXMOMDL-BZUAXINKSA-N	1	0	356.474	1.269	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1CNc1ccnc(C#N)n1	ZINC001092653067	955746938	/nfs/dbraw/zinc/74/69/38/955746938.db2.gz	NXEIAPJGRGHKAG-HZPDHXFCSA-N	1	0	356.474	1.153	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1	ZINC001197161089	972126877	/nfs/dbraw/zinc/12/68/77/972126877.db2.gz	JVMVXLKYNZSSAW-DUQPFJRNSA-N	1	0	365.518	1.301	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CNC(=O)[C@]23C[C@H]2COC3)[C@H](C)C1	ZINC001092624962	955873889	/nfs/dbraw/zinc/87/38/89/955873889.db2.gz	UPABWIRNKKPCGT-XXLATIFVSA-N	1	0	369.465	1.787	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1CNc1ccnc(C#N)n1	ZINC001092669911	955965073	/nfs/dbraw/zinc/96/50/73/955965073.db2.gz	SHHFJURMRCEEBO-HZPDHXFCSA-N	1	0	370.501	1.541	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1CNc1cnc(C#N)cn1	ZINC001092674677	955982720	/nfs/dbraw/zinc/98/27/20/955982720.db2.gz	OHNFOKFFPLJENM-HUUCEWRRSA-N	1	0	358.490	1.833	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1CNc1cnc(C#N)cn1	ZINC001092653494	956040651	/nfs/dbraw/zinc/04/06/51/956040651.db2.gz	ZYXRPRWDGANZGJ-HZPDHXFCSA-N	1	0	356.474	1.731	20	30		FDEDRO
N#Cc1cncc(N2CC[C@@]3(CNC(=O)C[NH+]4CCCC4)CCC[C@@H]23)n1	ZINC001092697879	956071051	/nfs/dbraw/zinc/07/10/51/956071051.db2.gz	IVYSIWPCFHCIMP-VQIMIIECSA-N	1	0	354.458	1.309	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@]3(CNC(=O)C[NH+]4CCCC4)CCC[C@@H]23)nc1	ZINC001092698370	956074075	/nfs/dbraw/zinc/07/40/75/956074075.db2.gz	UGGIHGYHXXVELA-YLJYHZDGSA-N	1	0	353.470	1.914	20	30		FDEDRO
C[NH+](C)CCCCC(=O)NC[C@]12CCC[C@H]1N(c1cncc(C#N)n1)CC2	ZINC001092701042	956090932	/nfs/dbraw/zinc/09/09/32/956090932.db2.gz	QDHNJBNBFIIKKO-YLJYHZDGSA-N	1	0	370.501	1.945	20	30		FDEDRO
C[N@H+](CC(=O)NC[C@]12CCC[C@H]1N(c1cncc(C#N)n1)CC2)C1CCC1	ZINC001092718889	956172943	/nfs/dbraw/zinc/17/29/43/956172943.db2.gz	WSQSZQMOJPUJCO-YLJYHZDGSA-N	1	0	368.485	1.698	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccn(CC)n2)C[C@H]1C	ZINC001092689691	956197915	/nfs/dbraw/zinc/19/79/15/956197915.db2.gz	PVASCGONPYIPDX-LMMKCTJWSA-N	1	0	357.502	1.185	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)c3ccc(CC)o3)[C@H](C)C2)C1=O	ZINC001092738735	956232051	/nfs/dbraw/zinc/23/20/51/956232051.db2.gz	SLLCIPYFFIDFGB-BFYDXBDKSA-N	1	0	359.470	1.927	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)c1ccn(C)c(=O)c1	ZINC001092741929	956241642	/nfs/dbraw/zinc/24/16/42/956241642.db2.gz	KYOLCDDBXFWVGS-DNVCBOLYSA-N	1	0	364.449	1.755	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)[C@H]1CCC(=O)NC1	ZINC001092759010	956293271	/nfs/dbraw/zinc/29/32/71/956293271.db2.gz	GOZCIKXORFVDMN-BPQIPLTHSA-N	1	0	371.456	1.388	20	30		FDEDRO
CC[NH+](CC)CCNS(=O)(=O)c1ccc(Br)c(C#N)c1	ZINC001197277315	972177617	/nfs/dbraw/zinc/17/76/17/972177617.db2.gz	HENCMQXVUPYNPQ-UHFFFAOYSA-N	1	0	360.277	1.941	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CN(c3ccncc3C#N)CCO2)CC[N@@H+]1C	ZINC001092776780	956414395	/nfs/dbraw/zinc/41/43/95/956414395.db2.gz	BGMBZTPUFSMJPF-OGWOLHLISA-N	1	0	357.458	1.005	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)[C@H]1CCNC1=O	ZINC001092883363	956655303	/nfs/dbraw/zinc/65/53/03/956655303.db2.gz	GBUXMEPNVROOSZ-WQVCFCJDSA-N	1	0	358.417	1.018	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2COCCN2CC2CCC2)[C@H](C)C1	ZINC001092855127	956697014	/nfs/dbraw/zinc/69/70/14/956697014.db2.gz	HHBFCMNWWPNIIM-ZTFGCOKTSA-N	1	0	369.937	1.924	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@H](C)C1	ZINC001092855537	956700041	/nfs/dbraw/zinc/70/00/41/956700041.db2.gz	NXEBBBMGZCWHCU-UKRRQHHQSA-N	1	0	357.458	1.595	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[N@@H+](CCCc3nc(C)no3)C[C@H]2C)c1	ZINC001092951676	956882807	/nfs/dbraw/zinc/88/28/07/956882807.db2.gz	GDSXYJBDACFAML-RDTXWAMCSA-N	1	0	367.453	1.685	20	30		FDEDRO
Cc1nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C3)ccc1C#N	ZINC001092924855	956925633	/nfs/dbraw/zinc/92/56/33/956925633.db2.gz	IKJIKQWISJGSMA-SQNIBIBYSA-N	1	0	353.470	1.972	20	30		FDEDRO
Cc1cc(C#N)nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C3)n1	ZINC001092926599	956931191	/nfs/dbraw/zinc/93/11/91/956931191.db2.gz	FVKCTXLEFCVOFJ-BDXSIMOUSA-N	1	0	368.485	1.757	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)c1cn(C)c(=O)[nH]1	ZINC001092937110	956959188	/nfs/dbraw/zinc/95/91/88/956959188.db2.gz	ORELEPSSEHZWIG-CZUORRHYSA-N	1	0	353.426	1.495	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncccc1C#N	ZINC001092977511	956974649	/nfs/dbraw/zinc/97/46/49/956974649.db2.gz	UQQCARDQWCDMJR-HPBDAGMYSA-N	1	0	369.469	1.147	20	30		FDEDRO
N#Cc1nccnc1N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2	ZINC001092990930	957064878	/nfs/dbraw/zinc/06/48/78/957064878.db2.gz	ZCIJQWIUCGAYAC-NUJGCVRESA-N	1	0	368.485	1.840	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-n3ccnc3)ccn2)C1	ZINC001197433020	972247356	/nfs/dbraw/zinc/24/73/56/972247356.db2.gz	CGUZITXUMVZVQM-RTBURBONSA-N	1	0	369.469	1.789	20	30		FDEDRO
CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1)[NH+](CC)CC	ZINC001093042594	957205288	/nfs/dbraw/zinc/20/52/88/957205288.db2.gz	CCABMQSZGLRIMA-FPCVCCKLSA-N	1	0	356.474	1.695	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@H+]([C@@H](C)c3cnccn3)C[C@H]2C)nn1	ZINC001093034948	957251643	/nfs/dbraw/zinc/25/16/43/957251643.db2.gz	GXMGCRAFBJCQJX-QLFBSQMISA-N	1	0	355.446	1.313	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccnc(OC)c3)C[C@H]2C)nn1	ZINC001093035353	957254034	/nfs/dbraw/zinc/25/40/34/957254034.db2.gz	ZKVPYMGIEJQLFR-GDBMZVCRSA-N	1	0	370.457	1.366	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1C	ZINC001093039116	957261072	/nfs/dbraw/zinc/26/10/72/957261072.db2.gz	FXLYGQGJVRSNQC-FPAYPSAMSA-N	1	0	360.502	1.976	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2cccc(-n3cncn3)n2)[C@H](C)C1	ZINC001093086207	957376612	/nfs/dbraw/zinc/37/66/12/957376612.db2.gz	OVBKENJSDRJQPC-TZMCWYRMSA-N	1	0	360.849	1.713	20	30		FDEDRO
C[N@H+](CC(=O)N[C@]12CCC[C@H]1CN(c1cnc(C#N)cn1)C2)C1CCC1	ZINC001093106176	957472815	/nfs/dbraw/zinc/47/28/15/957472815.db2.gz	JCPXCFKRWTUAMP-LIRRHRJNSA-N	1	0	354.458	1.308	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(O[C@H](C)CC)cc2)C1	ZINC001197519675	972272949	/nfs/dbraw/zinc/27/29/49/972272949.db2.gz	OHNPGHMGKDBQSX-ATZDWAIDSA-N	1	0	362.470	1.841	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H]3CCC[C@]3(NC(=O)CC[N@@H+](C)CC)C2)n1	ZINC001093092078	957540373	/nfs/dbraw/zinc/54/03/73/957540373.db2.gz	BZILETSUABXLTN-YWZLYKJASA-N	1	0	370.501	1.728	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-c3ccoc3)c2)C1	ZINC001197535836	972278935	/nfs/dbraw/zinc/27/89/35/972278935.db2.gz	FOOFCQKGTOYJAG-RTBURBONSA-N	1	0	356.422	1.924	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)c2ccc3c(c2)C(=O)NC3=O)[C@H](C)C1	ZINC001093139778	957635063	/nfs/dbraw/zinc/63/50/63/957635063.db2.gz	UCRIATCDQLXTAX-UKRRQHHQSA-N	1	0	355.438	1.834	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@@H]3CCN(CC=C)C3=O)C[C@H]2C)cn1	ZINC001093142780	957639850	/nfs/dbraw/zinc/63/98/50/957639850.db2.gz	BPMPIYXKJLQWBD-SZVBFZGTSA-N	1	0	366.465	1.148	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]2C)cn1	ZINC001093143272	957640552	/nfs/dbraw/zinc/64/05/52/957640552.db2.gz	XHGJRIZQABGFQV-SUMDDJOVSA-N	1	0	368.481	1.370	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@H]2C)cn1	ZINC001093143187	957640885	/nfs/dbraw/zinc/64/08/85/957640885.db2.gz	SQWYYOLUNLPIFN-CRAIPNDOSA-N	1	0	351.454	1.337	20	30		FDEDRO
Cn1cc(NC(=O)c2cccc(CN3CCC[N@H+](C)CC3)c2)c(C#N)n1	ZINC001197496484	972284019	/nfs/dbraw/zinc/28/40/19/972284019.db2.gz	QBQUWNVLTKPNNU-UHFFFAOYSA-N	1	0	352.442	1.682	20	30		FDEDRO
C=C(Br)CN1C[C@@H](CNC(=O)c2cnn(C)c2OC)[C@H](C)C1	ZINC001093162408	957708780	/nfs/dbraw/zinc/70/87/80/957708780.db2.gz	JSKFLRARHICPKX-ZYHUDNBSSA-N	1	0	371.279	1.635	20	30		FDEDRO
CCN1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)C1	ZINC001093215110	957835778	/nfs/dbraw/zinc/83/57/78/957835778.db2.gz	UWFAKXHNHNVHTF-NSISKUIASA-N	1	0	370.497	1.463	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(C(=O)CC)C2)C1	ZINC001197551153	972297436	/nfs/dbraw/zinc/29/74/36/972297436.db2.gz	CSYFOEYFHOKJTO-BRWVUGGUSA-N	1	0	353.507	1.377	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3ccc(C)nc3)C[C@H]2C)C1=O	ZINC001093270874	957936492	/nfs/dbraw/zinc/93/64/92/957936492.db2.gz	CNOQEOOKBZPDHN-LZQZEXGQSA-N	1	0	370.497	1.865	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)CC(C)(F)F)C[C@H]2C)C1=O	ZINC001093285554	957967973	/nfs/dbraw/zinc/96/79/73/957967973.db2.gz	RRBKQPLMELJYQQ-RBSFLKMASA-N	1	0	357.445	1.893	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3nc(C)c[nH]3)C[C@H]2C)C1=O	ZINC001093286447	957971146	/nfs/dbraw/zinc/97/11/46/957971146.db2.gz	BTFOIENHVNCMSO-BMFZPTHFSA-N	1	0	359.474	1.193	20	30		FDEDRO
C#CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2OCCO[C@H]2C)CC1	ZINC001093370889	958013904	/nfs/dbraw/zinc/01/39/04/958013904.db2.gz	GQKHETBTWHVVGT-WDSOQIARSA-N	1	0	360.498	1.907	20	30		FDEDRO
C#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1	ZINC001093374553	958015901	/nfs/dbraw/zinc/01/59/01/958015901.db2.gz	KNIUGAGCLKZIHV-VNTMZGSJSA-N	1	0	372.509	1.764	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCC2(Nc3cnc(C#N)cn3)CCCCC2)CC[N@@H+]1C	ZINC001093412421	958029171	/nfs/dbraw/zinc/02/91/71/958029171.db2.gz	ZGTZPGKDTLQHCI-GDBMZVCRSA-N	1	0	356.474	1.919	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnsn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093433700	958061716	/nfs/dbraw/zinc/06/17/16/958061716.db2.gz	JLNSBIVSCNEINY-DNNBLBMLSA-N	1	0	350.488	1.694	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cnn(C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093438047	958071946	/nfs/dbraw/zinc/07/19/46/958071946.db2.gz	YMLASCGSSGJABW-LFGUQSLTSA-N	1	0	360.502	1.505	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093444329	958089551	/nfs/dbraw/zinc/08/95/51/958089551.db2.gz	RUDNNWQWVYZWEH-GFOCRRMGSA-N	1	0	366.893	1.752	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3(O)CCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093445537	958091218	/nfs/dbraw/zinc/09/12/18/958091218.db2.gz	CNUYPYWNDRJGQI-PSBWJHGTSA-N	1	0	350.503	1.834	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)nnc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452446	958093020	/nfs/dbraw/zinc/09/30/20/958093020.db2.gz	IXYUQGXDFFIXKW-ANTGDGSKSA-N	1	0	370.497	1.560	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3ccn(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093447961	958103482	/nfs/dbraw/zinc/10/34/82/958103482.db2.gz	BTEJWRDVUHQZIM-HNBVOPMISA-N	1	0	360.502	1.505	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc4cccn4cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093448823	958111929	/nfs/dbraw/zinc/11/19/29/958111929.db2.gz	CXCISWROQUQPJQ-WERVVEIQSA-N	1	0	366.465	1.547	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn4ncccc34)[C@H]2C(C)C)C[C@H]1O	ZINC001093450117	958120567	/nfs/dbraw/zinc/12/05/67/958120567.db2.gz	KMCIXCGKVDWTMC-PHXBYCTMSA-N	1	0	369.469	1.495	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnn3C(F)F)[C@@H]2C(C)C)C[C@H]1O	ZINC001093450317	958122386	/nfs/dbraw/zinc/12/23/86/958122386.db2.gz	UHVBCQXYNNFFEH-DRRHNWJESA-N	1	0	366.412	1.491	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccn(C(F)F)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093450447	958123524	/nfs/dbraw/zinc/12/35/24/958123524.db2.gz	VDQBXGICWKWNJG-ADAWSYLGSA-N	1	0	366.412	1.491	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc4n3CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093450537	958125432	/nfs/dbraw/zinc/12/54/32/958125432.db2.gz	MZWWKEAOAHLDNG-GNUPYSACSA-N	1	0	358.486	1.595	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3nc(CC)c[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093451006	958129805	/nfs/dbraw/zinc/12/98/05/958129805.db2.gz	QBYFTTAOLMWGQR-YKCBXCCJSA-N	1	0	358.486	1.114	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cn(C)nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093451771	958135811	/nfs/dbraw/zinc/13/58/11/958135811.db2.gz	YAPBYELZLZYTAF-IZBJGVDFSA-N	1	0	360.502	1.423	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cnccc3OC)[C@H]2C(C)C)C[C@H]1O	ZINC001093451705	958135955	/nfs/dbraw/zinc/13/59/55/958135955.db2.gz	XAUWEKFNAQOMBT-SGLNWRHMSA-N	1	0	371.481	1.232	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccnc3OC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093462974	958195420	/nfs/dbraw/zinc/19/54/20/958195420.db2.gz	RWKLCJUFGCJGRS-VIPLHTEESA-N	1	0	359.470	1.856	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ocnc3C3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093464654	958200836	/nfs/dbraw/zinc/20/08/36/958200836.db2.gz	GARQRAUJPVPBQO-CWLMSFPYSA-N	1	0	357.454	1.765	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cccnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093465497	958204344	/nfs/dbraw/zinc/20/43/44/958204344.db2.gz	KAXAWWISTLTCLD-UKAVVXHISA-N	1	0	355.482	1.532	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C)[nH]c3=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001093465832	958206529	/nfs/dbraw/zinc/20/65/29/958206529.db2.gz	JUCGOBXGZWLDAX-VIPLHTEESA-N	1	0	359.470	1.861	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)nn3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093466149	958207403	/nfs/dbraw/zinc/20/74/03/958207403.db2.gz	LWXYSGKMEKFYJB-UIXUWTQFSA-N	1	0	360.502	1.977	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(CC)nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093468407	958219231	/nfs/dbraw/zinc/21/92/31/958219231.db2.gz	ZIJMWAUHRMKXAR-SOAMZJECSA-N	1	0	360.502	1.977	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(CC)nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093468405	958220002	/nfs/dbraw/zinc/22/00/02/958220002.db2.gz	ZIJMWAUHRMKXAR-MLYOOKFZSA-N	1	0	360.502	1.977	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C(C)C)nn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093468998	958220990	/nfs/dbraw/zinc/22/09/90/958220990.db2.gz	CZTHCFWIHLWHIJ-VYCZESIESA-N	1	0	361.490	1.625	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COc3cccnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093469250	958221039	/nfs/dbraw/zinc/22/10/39/958221039.db2.gz	FLIGTXNIROYTQH-IZBJGVDFSA-N	1	0	357.454	1.060	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccncn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093469916	958224770	/nfs/dbraw/zinc/22/47/70/958224770.db2.gz	NJHOIGSXFFONFJ-YFHUEUNASA-N	1	0	364.877	1.809	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093470213	958226738	/nfs/dbraw/zinc/22/67/38/958226738.db2.gz	RFZXJCKTVFOONE-UTXMOHQDSA-N	1	0	367.881	1.147	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)C[NH+]2CCC(C)CC2)C[C@@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001093470219	958226768	/nfs/dbraw/zinc/22/67/68/958226768.db2.gz	RHJPGOAIKPDEHN-IZBJGVDFSA-N	1	0	362.518	1.208	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)C[NH+]2CCC(C)CC2)C[C@@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001093470218	958227126	/nfs/dbraw/zinc/22/71/26/958227126.db2.gz	RHJPGOAIKPDEHN-HNBVOPMISA-N	1	0	362.518	1.208	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CC)C3)[C@H]2C(C)C)nn1	ZINC001093470314	958228688	/nfs/dbraw/zinc/22/86/88/958228688.db2.gz	SPULHGOUIRCCPL-KLICCBINSA-N	1	0	361.490	1.454	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3ncccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093470593	958229429	/nfs/dbraw/zinc/22/94/29/958229429.db2.gz	XFWQDLBVTCHNBS-YKCBXCCJSA-N	1	0	358.486	1.561	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CCF)C3)[C@@H]2C(C)C)cn1	ZINC001093471434	958233884	/nfs/dbraw/zinc/23/38/84/958233884.db2.gz	DJTABSWPYAOIHR-XSYGEPLQSA-N	1	0	359.445	1.612	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc4nccn4c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093453581	958262715	/nfs/dbraw/zinc/26/27/15/958262715.db2.gz	WSYHVBGHHUNPKJ-VIPLHTEESA-N	1	0	369.469	1.495	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3nc(C)no3)[C@H]2C(C)C)C[C@H]1O	ZINC001093454250	958266139	/nfs/dbraw/zinc/26/61/39/958266139.db2.gz	AWAQJLKACOBYRI-LTDCPUDJSA-N	1	0	362.474	1.463	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCn3ccnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093454948	958270964	/nfs/dbraw/zinc/27/09/64/958270964.db2.gz	IODCWRUUVONZTR-IZBJGVDFSA-N	1	0	360.502	1.815	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C(N)=O)o3)[C@H]2C(C)C)C[C@H]1O	ZINC001093457449	958279721	/nfs/dbraw/zinc/27/97/21/958279721.db2.gz	JRJYXTMKTYJAMV-LYMQGIMYSA-N	1	0	361.442	1.144	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C)c(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093458322	958283584	/nfs/dbraw/zinc/28/35/84/958283584.db2.gz	NHXUMYZZHAMIEQ-ANTGDGSKSA-N	1	0	355.482	1.911	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CCO)C3)[C@H]2C(C)C)cc1	ZINC001093458919	958286873	/nfs/dbraw/zinc/28/68/73/958286873.db2.gz	HXVYOBAQGQVYRD-ANTGDGSKSA-N	1	0	356.466	1.240	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c(C)noc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093477824	958290726	/nfs/dbraw/zinc/29/07/26/958290726.db2.gz	NJHLTTCTLUPGOL-HNBVOPMISA-N	1	0	361.486	1.986	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccnc3OCC)[C@H]2C(C)C)C[C@H]1O	ZINC001093478035	958291916	/nfs/dbraw/zinc/29/19/16/958291916.db2.gz	OVRLGFBDIFOOHH-WIRSXHRWSA-N	1	0	371.481	1.693	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3ccccc3=O)[C@H]2C(C)C)C[C@H]1O	ZINC001093479051	958297965	/nfs/dbraw/zinc/29/79/65/958297965.db2.gz	SZHANIFNRQDRTK-YKCBXCCJSA-N	1	0	359.470	1.000	20	30		FDEDRO
C=C(C)CC[NH+]1CC(OC2CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)CC2)C1	ZINC001093572776	958328835	/nfs/dbraw/zinc/32/88/35/958328835.db2.gz	QVKAQPOOSUPWTD-MSOLQXFVSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1O	ZINC001197657376	972339433	/nfs/dbraw/zinc/33/94/33/972339433.db2.gz	GLSDNKNWRBWYJD-HZPDHXFCSA-N	1	0	363.458	1.236	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCn3nc(C)cc3C)C[C@H]21	ZINC000962021291	1013175918	/nfs/dbraw/zinc/17/59/18/1013175918.db2.gz	CMEUSQFZGOXZDD-QTMHVTGLSA-N	1	0	358.486	1.528	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001093634994	958396879	/nfs/dbraw/zinc/39/68/79/958396879.db2.gz	GOYRDAMIZXTZJF-RHSMWYFYSA-N	1	0	355.417	1.778	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093670144	958466159	/nfs/dbraw/zinc/46/61/59/958466159.db2.gz	YWTCXVQAAMTTHR-UKRRQHHQSA-N	1	0	357.483	1.780	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001093682117	958485550	/nfs/dbraw/zinc/48/55/50/958485550.db2.gz	DVIURNPRTWYZMG-IUODEOHRSA-N	1	0	368.416	1.567	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1nnnn1C(C)(C)C	ZINC001093699922	958567063	/nfs/dbraw/zinc/56/70/63/958567063.db2.gz	PPTKUCWLDTUEAH-TZMCWYRMSA-N	1	0	370.461	1.126	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+][C@@H]1CCN(C(C)(C)C)C1=O	ZINC001093722430	958597840	/nfs/dbraw/zinc/59/78/40/958597840.db2.gz	CCWQEVRBZOXSRG-IIAWOOMASA-N	1	0	371.485	1.583	20	30		FDEDRO
CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)s1	ZINC001093726074	958612708	/nfs/dbraw/zinc/61/27/08/958612708.db2.gz	OSBWZUXIAZNFHO-DGCLKSJQSA-N	1	0	358.471	1.798	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001093748333	958669152	/nfs/dbraw/zinc/66/91/52/958669152.db2.gz	YDHNMSOWTWMXME-IUODEOHRSA-N	1	0	356.405	1.324	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093764723	958707310	/nfs/dbraw/zinc/70/73/10/958707310.db2.gz	GCTVGPXPHMTZJH-CRAIPNDOSA-N	1	0	351.454	1.719	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1	ZINC001093830600	958921135	/nfs/dbraw/zinc/92/11/35/958921135.db2.gz	KDEBAQJMKVCLIL-UIFIKXQLSA-N	1	0	364.493	1.840	20	30		FDEDRO
CC[C@]1(C(=O)N2C[C@@H](C[NH2+]Cc3cccc(C#N)c3)[C@H](C)C2)CCNC1=O	ZINC001093835834	958935796	/nfs/dbraw/zinc/93/57/96/958935796.db2.gz	LSRVTTMSJSCDPT-FPDPHYFHSA-N	1	0	368.481	1.659	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093817393	959012428	/nfs/dbraw/zinc/01/24/28/959012428.db2.gz	QJZKQKDBXKJTHD-ZTFGCOKTSA-N	1	0	354.454	1.269	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCNC(=O)C2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093858608	959018644	/nfs/dbraw/zinc/01/86/44/959018644.db2.gz	DGRBGPOTXJEOQG-FQELHTAISA-N	1	0	368.481	1.659	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)Cc3ccccc3)C[C@H]2C)C1=O	ZINC001093869455	959052941	/nfs/dbraw/zinc/05/29/41/959052941.db2.gz	YRVQCFAOZZSSDS-QRQLOZEOSA-N	1	0	355.482	1.700	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H]3CCN(C)C3=O)[C@H](C)C2)cc1	ZINC001093870084	959054369	/nfs/dbraw/zinc/05/43/69/959054369.db2.gz	KMIYBOFYTYOJFC-SZVBFZGTSA-N	1	0	371.481	1.780	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3ccncc3CC)C[C@H]2C)C1=O	ZINC001093877834	959093023	/nfs/dbraw/zinc/09/30/23/959093023.db2.gz	UBYXYLXBRUJNET-SUMDDJOVSA-N	1	0	370.497	1.729	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3ncccc3CC)C[C@H]2C)C1=O	ZINC001093880772	959103572	/nfs/dbraw/zinc/10/35/72/959103572.db2.gz	JMKRWRQLRZIXLS-NXHRZFHOSA-N	1	0	370.497	1.729	20	30		FDEDRO
C[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093888625	959142845	/nfs/dbraw/zinc/14/28/45/959142845.db2.gz	UULLQLBGVIGJLY-CRAIPNDOSA-N	1	0	369.469	1.158	20	30		FDEDRO
Cc1cncn1CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1	ZINC001093921010	959218001	/nfs/dbraw/zinc/21/80/01/959218001.db2.gz	HFSXHNLRAJCPRU-DNVCBOLYSA-N	1	0	351.454	1.948	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093970107	959382298	/nfs/dbraw/zinc/38/22/98/959382298.db2.gz	FALOOEWBRKISRV-OLMNPRSZSA-N	1	0	354.454	1.363	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3nnc(C(C)C)[nH]3)[C@H](C)C2)c1	ZINC001094027948	959548365	/nfs/dbraw/zinc/54/83/65/959548365.db2.gz	KWLJTDUSYATJSD-RHSMWYFYSA-N	1	0	366.469	1.802	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+][C@@H]3CCN(CC=C)C3=O)[C@H](C)C2)c1	ZINC001094027845	959548382	/nfs/dbraw/zinc/54/83/82/959548382.db2.gz	HUVROONAXHIRMF-ATZDWAIDSA-N	1	0	366.465	1.148	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]C[C@@H]3CCNC(=O)CC3)[C@H](C)C2)c1	ZINC001094027722	959548904	/nfs/dbraw/zinc/54/89/04/959548904.db2.gz	CMUDFWALCNZSSW-HHXXYDBFSA-N	1	0	368.481	1.277	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C(N)=O)cc2)[C@H](C)C1	ZINC001094054783	959641330	/nfs/dbraw/zinc/64/13/30/959641330.db2.gz	RCWXPVSOMFONIY-AXUOBQJMSA-N	1	0	371.481	1.561	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001094016110	959658627	/nfs/dbraw/zinc/65/86/27/959658627.db2.gz	PSVLMWOYJXILLO-IUODEOHRSA-N	1	0	371.416	1.634	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001094067544	959686504	/nfs/dbraw/zinc/68/65/04/959686504.db2.gz	URIYVTYIUGNYPR-CXAGYDPISA-N	1	0	353.401	1.985	20	30		FDEDRO
C#C[C@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)[C@H]1CCCO1	ZINC000775789111	972452071	/nfs/dbraw/zinc/45/20/71/972452071.db2.gz	KPKLCNPPQMSUCY-CWRNSKLLSA-N	1	0	354.244	1.959	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)Cc3cscn3)C[C@H]2C)C1=O	ZINC001094090432	959750370	/nfs/dbraw/zinc/75/03/70/959750370.db2.gz	OEHGKOMBZFZNHY-FMKPAKJESA-N	1	0	362.499	1.157	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3cnccc3C)[C@H](C)C2)nn1	ZINC001094095395	959772417	/nfs/dbraw/zinc/77/24/17/959772417.db2.gz	OWALOWPYTDKVGB-NVXWUHKLSA-N	1	0	354.458	1.665	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3nccn3C)[C@H](C)C2)nn1	ZINC001094101434	959782048	/nfs/dbraw/zinc/78/20/48/959782048.db2.gz	SVTHRMXUEIIAEL-HUUCEWRRSA-N	1	0	357.462	1.086	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nncn2C)[C@H](C)C1	ZINC001094099959	959784174	/nfs/dbraw/zinc/78/41/74/959784174.db2.gz	UGDXOJCJIVCMSA-CBZIJGRNSA-N	1	0	361.490	1.371	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C[NH2+]Cc2nc(C)no2)[C@H](C)C1	ZINC001094158790	959929299	/nfs/dbraw/zinc/92/92/99/959929299.db2.gz	IBKUOGVEQKMUDY-UKRRQHHQSA-N	1	0	371.441	1.836	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3ccccc3OC)C[C@H]2C)C1=O	ZINC001094182271	959999356	/nfs/dbraw/zinc/99/93/56/959999356.db2.gz	ROTKQPQMCBFYFW-NUJGCVRESA-N	1	0	371.481	1.780	20	30		FDEDRO
Cc1nccn1CC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1	ZINC001094221484	960050243	/nfs/dbraw/zinc/05/02/43/960050243.db2.gz	MCJXWYRGSKCCHQ-DNVCBOLYSA-N	1	0	351.454	1.948	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1cn(C2C[NH+](CC3CC(C)C3)C2)nn1	ZINC001094320312	960250407	/nfs/dbraw/zinc/25/04/07/960250407.db2.gz	FJHGUGNYORCICM-PCHAPFSGSA-N	1	0	359.474	1.388	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCc1cn(C2C[NH+](CCC(=C)C)C2)nn1	ZINC001094291392	960255007	/nfs/dbraw/zinc/25/50/07/960255007.db2.gz	QVEQJYXQILPFLA-MSOLQXFVSA-N	1	0	359.474	1.698	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCc1cn(C2C[NH+](CC(C)C)C2)nn1	ZINC001094324843	960283442	/nfs/dbraw/zinc/28/34/42/960283442.db2.gz	FMQWFFDGQGOTIY-ROUUACIJSA-N	1	0	361.490	1.778	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@]3(CNC(=O)c4ccon4)CCC[C@@H]23)C1=O	ZINC001094370858	960287237	/nfs/dbraw/zinc/28/72/37/960287237.db2.gz	UPUQRNXHJFKYAV-GPMSIDNRSA-N	1	0	358.442	1.436	20	30		FDEDRO
C#C[C@@H](NC(=O)NCCc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCCO1	ZINC000773278195	960293847	/nfs/dbraw/zinc/29/38/47/960293847.db2.gz	XKUVCUXLKLJSOD-MOPGFXCFSA-N	1	0	359.470	1.650	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCOC	ZINC001110156152	960318821	/nfs/dbraw/zinc/31/88/21/960318821.db2.gz	XGRFIXCLAPCDOB-ILXRZTDVSA-N	1	0	352.479	1.008	20	30		FDEDRO
Cn1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2ccc(C#N)cc2)CC3)nn1	ZINC001094407224	960386580	/nfs/dbraw/zinc/38/65/80/960386580.db2.gz	GLPVGZNIIOPENA-UYAOXDASSA-N	1	0	364.453	1.861	20	30		FDEDRO
Cn1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2ccc(C#N)s2)CC3)nn1	ZINC001094407464	960388000	/nfs/dbraw/zinc/38/80/00/960388000.db2.gz	PWRPZJWOIYNYQL-SJLPKXTDSA-N	1	0	370.482	1.923	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)CCC[C@@H]12	ZINC001094414982	960404190	/nfs/dbraw/zinc/40/41/90/960404190.db2.gz	HNQYOTJAGZCYTC-IDHHARJASA-N	1	0	357.458	1.309	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc([C@@H]4CCCN4C)n[nH]3)CCC[C@@H]12	ZINC001094419893	960414236	/nfs/dbraw/zinc/41/42/36/960414236.db2.gz	HFLZSTDJJWWMKR-NLWGTHIKSA-N	1	0	355.486	1.784	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc(=O)[nH]c4ncn(C)c43)CCC[C@@H]12	ZINC001094433047	960443939	/nfs/dbraw/zinc/44/39/39/960443939.db2.gz	NMVXSXGBUPIWDY-AUUYWEPGSA-N	1	0	355.442	1.834	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCC(Cc2nc(C3CCOCC3)no2)CC1	ZINC000862954974	972505969	/nfs/dbraw/zinc/50/59/69/972505969.db2.gz	CUZPBSSPYSBVRA-UHFFFAOYSA-N	1	0	362.474	1.863	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3sccc3-n3cnnn3)CCC[C@@H]12	ZINC001094456598	960546132	/nfs/dbraw/zinc/54/61/32/960546132.db2.gz	JHGCNHRRZOHLCN-CRAIPNDOSA-N	1	0	370.482	1.722	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c(s2)CCOC3)C1	ZINC001197881688	972516429	/nfs/dbraw/zinc/51/64/29/972516429.db2.gz	YDHMRBSMCTVMEE-NWANDNLSSA-N	1	0	350.484	1.950	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4nnn(C)c4C3)CCC[C@@H]12	ZINC001094497905	960615277	/nfs/dbraw/zinc/61/52/77/960615277.db2.gz	QRHMTVGQEMRDGQ-XFQXTVEOSA-N	1	0	357.502	1.857	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3c4n(c(=O)n3C)CCCC4)CCC[C@@H]12	ZINC001094512750	960699268	/nfs/dbraw/zinc/69/92/68/960699268.db2.gz	UMSBHPRPOZQUHL-OXQOHEQNSA-N	1	0	358.486	1.684	20	30		FDEDRO
Cn1ncc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2cccc(C#N)c2)CC3)n1	ZINC001094534779	960752721	/nfs/dbraw/zinc/75/27/21/960752721.db2.gz	NVNXJRYBAWUHGN-UYAOXDASSA-N	1	0	364.453	1.861	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)c4nnc[nH]4)CCC[C@@H]23)c(F)c1	ZINC001094538405	960767553	/nfs/dbraw/zinc/76/75/53/960767553.db2.gz	FCVNITNSPSVYAJ-VQIMIIECSA-N	1	0	368.416	1.990	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCS(=O)(=O)N3)CCC[C@@H]12	ZINC001094581299	960875821	/nfs/dbraw/zinc/87/58/21/960875821.db2.gz	UYEVYLGMTQSGDF-BFYDXBDKSA-N	1	0	355.504	1.005	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1	ZINC000773312382	960956745	/nfs/dbraw/zinc/95/67/45/960956745.db2.gz	SVKSHZBMCOBDPJ-UHFFFAOYSA-N	1	0	373.453	1.206	20	30		FDEDRO
C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1	ZINC000773945878	961101415	/nfs/dbraw/zinc/10/14/15/961101415.db2.gz	ZHCKTAGKXQUECD-LBPRGKRZSA-N	1	0	351.834	1.699	20	30		FDEDRO
C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1	ZINC000773945774	961103990	/nfs/dbraw/zinc/10/39/90/961103990.db2.gz	XYLKDASGVLTDBF-MRXNPFEDSA-N	1	0	357.454	1.970	20	30		FDEDRO
C=C(C)CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CCO[C@H]3C3CC3)CC2=O)C1	ZINC001094765795	961122069	/nfs/dbraw/zinc/12/20/69/961122069.db2.gz	ZITQOYQETHWUSD-WDYCEAGBSA-N	1	0	361.486	1.169	20	30		FDEDRO
C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1	ZINC000773956480	961238326	/nfs/dbraw/zinc/23/83/26/961238326.db2.gz	WSOWQZZDXWQCCM-CQSZACIVSA-N	1	0	358.442	1.304	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1CC(N)=NOCC(=O)N[C@H]1CCOc2ccccc21	ZINC000245471051	1013247754	/nfs/dbraw/zinc/24/77/54/1013247754.db2.gz	NNYBNNGGGROCLP-HOCLYGCPSA-N	1	0	360.458	1.790	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1CC(N)=NOCC(=O)N[C@H]1CCOc2ccccc21	ZINC000245471052	1013247922	/nfs/dbraw/zinc/24/79/22/1013247922.db2.gz	NNYBNNGGGROCLP-ZBFHGGJFSA-N	1	0	360.458	1.790	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@H](NC(=O)N2CCOCC2)C1	ZINC001172313202	961617991	/nfs/dbraw/zinc/61/79/91/961617991.db2.gz	RJJFGKRYZZAXEF-APWZRJJASA-N	1	0	356.470	1.995	20	30		FDEDRO
COCCOCCOCCOCC[NH2+][C@@H](C)Cc1ccc(C#N)cc1	ZINC001172297694	961633645	/nfs/dbraw/zinc/63/36/45/961633645.db2.gz	RNPUWHABHXUZBP-KRWDZBQOSA-N	1	0	350.459	1.775	20	30		FDEDRO
CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CC[N@@H+]([C@H](C)CCCC#N)C2	ZINC001172495302	961685648	/nfs/dbraw/zinc/68/56/48/961685648.db2.gz	OYMAPEWFSFJZCE-OXQOHEQNSA-N	1	0	369.469	1.804	20	30		FDEDRO
C[C@@H](CCCC#N)[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)c3cnn(C)c3)[C@H]2C1	ZINC001172497347	961687805	/nfs/dbraw/zinc/68/78/05/961687805.db2.gz	BETUBJKNKRYZFM-UOVPBQLFSA-N	1	0	359.474	1.569	20	30		FDEDRO
C#CCCN1CCC[C@@H]([NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)C1=O	ZINC001172886503	961818342	/nfs/dbraw/zinc/81/83/42/961818342.db2.gz	HRWFJIOCJNVPRV-QGZVFWFLSA-N	1	0	363.502	1.396	20	30		FDEDRO
C#CCN(C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCS(=O)(=O)C1	ZINC000774195389	961820506	/nfs/dbraw/zinc/82/05/06/961820506.db2.gz	HYEXJNGDZBMPCJ-TWMKSMIVSA-N	1	0	369.531	1.185	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2C[C@@H](S(C)(=O)=O)C2)C[C@H]1C#N	ZINC001172968558	961854609	/nfs/dbraw/zinc/85/46/09/961854609.db2.gz	MGBKELJURYVLQJ-XDQVBPFNSA-N	1	0	357.476	1.443	20	30		FDEDRO
C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)CCc2cccc(C#N)c2)C1	ZINC001182338437	961863556	/nfs/dbraw/zinc/86/35/56/961863556.db2.gz	LPZSVPPFWWBBEJ-GOSISDBHSA-N	1	0	351.454	1.908	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC3(C[C@@H](O)CO3)CC2)C[C@H]1C#N	ZINC001172987129	961868004	/nfs/dbraw/zinc/86/80/04/961868004.db2.gz	AYIJRVFDRFEYLV-HRCADAONSA-N	1	0	365.474	1.894	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)C[C@H]1C#N	ZINC001172991114	961900822	/nfs/dbraw/zinc/90/08/22/961900822.db2.gz	KQSQCAQNZRCXFU-SUNYJGFJSA-N	1	0	364.446	1.852	20	30		FDEDRO
Cn1cc(C(=O)N[C@H]2C[N@@H+](C3CCC(CC#N)CC3)[C@@H]3CCCO[C@@H]32)cn1	ZINC001173335643	962008983	/nfs/dbraw/zinc/00/89/83/962008983.db2.gz	TYCMROXWWJSXKA-XDJCIPMRSA-N	1	0	371.485	1.854	20	30		FDEDRO
N#CCC1CCC([N@@H+]2C[C@@H](NC(=O)c3cnccn3)[C@@H]3OCCC[C@@H]32)CC1	ZINC001173334457	962009412	/nfs/dbraw/zinc/00/94/12/962009412.db2.gz	XOYJHSTXJQCKAA-NJGDBKCMSA-N	1	0	369.469	1.911	20	30		FDEDRO
C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@H+](Cc1ccc(CO)cc1)C2	ZINC001203183506	962072376	/nfs/dbraw/zinc/07/23/76/962072376.db2.gz	WDCXWTCYJAHPFM-NRFANRHFSA-N	1	0	357.498	1.862	20	30		FDEDRO
Cc1cc(N(C(N)=[NH2+])C2CCN(C(=O)c3ccc(C#N)cc3)CC2)n[nH]1	ZINC001173428429	962143694	/nfs/dbraw/zinc/14/36/94/962143694.db2.gz	HLHYAZZNVDJTRM-UHFFFAOYSA-N	1	0	351.414	1.594	20	30		FDEDRO
CC1(C(N)=O)CC[NH+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1	ZINC001173431548	962148624	/nfs/dbraw/zinc/14/86/24/962148624.db2.gz	IQEOBYNTPAJCMF-UHFFFAOYSA-N	1	0	354.454	1.750	20	30		FDEDRO
C#CCN1CC[NH+](C2CCN(CC(=O)OCc3ccccc3)CC2)CC1	ZINC001173473157	962161317	/nfs/dbraw/zinc/16/13/17/962161317.db2.gz	ZEIIHFGTXBHKNT-UHFFFAOYSA-N	1	0	355.482	1.445	20	30		FDEDRO
C#CCC[NH+]1CCN(c2ccc(S(=O)(=O)N[C@@H](C)CCC)cn2)CC1	ZINC000774528480	962401283	/nfs/dbraw/zinc/40/12/83/962401283.db2.gz	FDZOBUMKPAXJBJ-INIZCTEOSA-N	1	0	364.515	1.694	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1	ZINC001182709614	962470626	/nfs/dbraw/zinc/47/06/26/962470626.db2.gz	XENCCBHYULKLLO-FCGDIQPGSA-N	1	0	357.498	1.980	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCO1	ZINC000774546713	962539395	/nfs/dbraw/zinc/53/93/95/962539395.db2.gz	XMTLFJCZHPCQNC-MOPGFXCFSA-N	1	0	369.465	1.064	20	30		FDEDRO
C#CC(C)(C)[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC001173690867	962581708	/nfs/dbraw/zinc/58/17/08/962581708.db2.gz	ATXHENJMHIEAIN-UHFFFAOYSA-N	1	0	351.428	1.749	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2nnc(C)[nH]2)C1	ZINC001182869584	962615190	/nfs/dbraw/zinc/61/51/90/962615190.db2.gz	RDOWHQVYJAIWLW-FDZBUTDGSA-N	1	0	361.490	1.669	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1	ZINC001183042998	962754394	/nfs/dbraw/zinc/75/43/94/962754394.db2.gz	JGJBEODZAIVATC-JXFKEZNVSA-N	1	0	374.460	1.727	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)NC1CCN(C(=O)c2ccccc2C#N)CC1	ZINC001183085850	962783621	/nfs/dbraw/zinc/78/36/21/962783621.db2.gz	LRZCHVBLBHLHOI-UHFFFAOYSA-N	1	0	366.465	1.931	20	30		FDEDRO
CN(CC#N)C(=O)C1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC001183145856	962829957	/nfs/dbraw/zinc/82/99/57/962829957.db2.gz	LEDVKGBHAAZTNS-OAHLLOKOSA-N	1	0	350.463	1.690	20	30		FDEDRO
C[C@@]1(O)C=C[C@@H](O)C(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)=C1	ZINC001183544075	963103328	/nfs/dbraw/zinc/10/33/28/963103328.db2.gz	KJUSZUSDEGJULG-UYAOXDASSA-N	1	0	367.449	1.269	20	30		FDEDRO
C[C@](CO)([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1cccc([N+](=O)[O-])c1	ZINC001175323806	963148400	/nfs/dbraw/zinc/14/84/00/963148400.db2.gz	PZLVVRIFSJDYOA-DLBZAZTESA-N	1	0	363.414	1.463	20	30		FDEDRO
C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@H](C#N)Cc2ccc(O)cc2)CC1	ZINC001183615815	963191580	/nfs/dbraw/zinc/19/15/80/963191580.db2.gz	HIDAGQCTMDCWNY-ULQDDVLXSA-N	1	0	372.469	1.180	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CCNC(=O)C1CC1	ZINC001175664704	963260488	/nfs/dbraw/zinc/26/04/88/963260488.db2.gz	YQIWXIPEABXFKZ-NJAFHUGGSA-N	1	0	365.518	1.758	20	30		FDEDRO
C=CCOc1ccc(/C=C\C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cc1OC	ZINC000773527774	963301214	/nfs/dbraw/zinc/30/12/14/963301214.db2.gz	FVZJZQGVMBOAAZ-POZKEBTKSA-N	1	0	371.481	1.779	20	30		FDEDRO
C#C[C@H](NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@H]1CCCO1	ZINC000773554045	963382595	/nfs/dbraw/zinc/38/25/95/963382595.db2.gz	DGSQUWCXVPOBNE-VQTJNVASSA-N	1	0	371.481	1.623	20	30		FDEDRO
CCCC#CC(=O)n1c2ncnc-2c(OCc2ccc(C[NH3+])cc2)nc1N	ZINC001184275400	963534217	/nfs/dbraw/zinc/53/42/17/963534217.db2.gz	AKNCNDSUZQEGMV-UHFFFAOYSA-N	1	0	364.409	1.720	20	30		FDEDRO
N#Cc1cccc(N2C[C@@H](C(=O)NCC34CC[NH+](CC3)CC4)OC2=O)c1	ZINC001184377142	963563268	/nfs/dbraw/zinc/56/32/68/963563268.db2.gz	YOPAAKCWNMAUAD-INIZCTEOSA-N	1	0	354.410	1.486	20	30		FDEDRO
CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CN(c3cccc(C#N)c3)C(=O)O2)C1	ZINC001184381954	963567484	/nfs/dbraw/zinc/56/74/84/963567484.db2.gz	UVPKPARKSJVVEQ-DLBZAZTESA-N	1	0	356.426	1.825	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCC[C@]23CCCOC3)CC1	ZINC001177007805	963641966	/nfs/dbraw/zinc/64/19/66/963641966.db2.gz	CWJFFRNFCUPCTG-UYAOXDASSA-N	1	0	362.518	1.714	20	30		FDEDRO
C=CCOCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1OCCO[C@H]1C	ZINC001177342826	963776879	/nfs/dbraw/zinc/77/68/79/963776879.db2.gz	WIJFWFVWUZGMCW-HKUYNNGSSA-N	1	0	368.518	1.991	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CCC[NH2+]CC(=O)N(C)C)CC1CCCC1	ZINC001177423698	963825061	/nfs/dbraw/zinc/82/50/61/963825061.db2.gz	KRRXDDPFYUFLDB-MSOLQXFVSA-N	1	0	365.518	1.664	20	30		FDEDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)Cc1ccnc(C#N)c1)C2	ZINC001177667033	963920554	/nfs/dbraw/zinc/92/05/54/963920554.db2.gz	LTPKNIPPSKZSNQ-WIYYLYMNSA-N	1	0	368.481	1.703	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2ccccc2C)C1	ZINC001185758632	964090262	/nfs/dbraw/zinc/09/02/62/964090262.db2.gz	GVVJBLCCCFESJK-NUJGCVRESA-N	1	0	357.454	1.715	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCO[C@H]3C=C)C2)c1	ZINC001185759344	964090842	/nfs/dbraw/zinc/09/08/42/964090842.db2.gz	SQXUZYFHQLDGTN-QRVBRYPASA-N	1	0	367.449	1.388	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC2CCCCC2)C1	ZINC001185749621	964104438	/nfs/dbraw/zinc/10/44/38/964104438.db2.gz	LINBFIUBRMZOSI-KURKYZTESA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCCCCCC[NH2+]CC(=O)N(C)C1CC1	ZINC001178506423	964260960	/nfs/dbraw/zinc/26/09/60/964260960.db2.gz	UKQSWEDIIDFNST-MSOLQXFVSA-N	1	0	365.518	1.855	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cc2cc[nH]n2)C1	ZINC001186180892	964333171	/nfs/dbraw/zinc/33/31/71/964333171.db2.gz	TWLXYZBHDYPAAR-VQIMIIECSA-N	1	0	354.429	1.946	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)C1	ZINC001186207101	964373436	/nfs/dbraw/zinc/37/34/36/964373436.db2.gz	YBUJVDQNFXOXMN-BPQIPLTHSA-N	1	0	357.454	1.291	20	30		FDEDRO
CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC2)CC12CCOCC2	ZINC001186423790	964502986	/nfs/dbraw/zinc/50/29/86/964502986.db2.gz	CEQPPOZKOJDMHA-OTWHNJEPSA-N	1	0	360.498	1.670	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2CC)[C@H]1C	ZINC001179420915	964867553	/nfs/dbraw/zinc/86/75/53/964867553.db2.gz	RRFPWAGXFNUIJE-QLIIJSOBSA-N	1	0	367.493	1.681	20	30		FDEDRO
COc1ccc(CN2C[C@@H]3CCN(C(=O)CSCC#N)[C@@H]3C2)cc1C#N	ZINC001186916946	964875167	/nfs/dbraw/zinc/87/51/67/964875167.db2.gz	BQQMMTCKOQEWIE-DOTOQJQBSA-N	1	0	370.478	1.856	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2nnc(C(C)C)n2C)C1	ZINC000962320865	1013529905	/nfs/dbraw/zinc/52/99/05/1013529905.db2.gz	DCEKJWQYIKYEPR-FJBKBRRZSA-N	1	0	361.490	1.514	20	30		FDEDRO
C[NH+](C)CCN(C(=O)[C@@H]1C[C@@H]1C#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC001186976542	964919689	/nfs/dbraw/zinc/91/96/89/964919689.db2.gz	DCCMPUUUQPEMHO-OWCLPIDISA-N	1	0	364.490	1.936	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+][C@@H](C)C(=O)NCCC	ZINC001179637916	964942250	/nfs/dbraw/zinc/94/22/50/964942250.db2.gz	FCCYVZURVCRNOJ-BBWFWOEESA-N	1	0	353.507	1.758	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2F)[C@H]1C	ZINC001179686009	964943996	/nfs/dbraw/zinc/94/39/96/964943996.db2.gz	PVPVKXDUTWHJGI-SCNOPHJPSA-N	1	0	357.429	1.258	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCCCCC[NH2+][C@H](C)C(=O)NC	ZINC001179781263	964975667	/nfs/dbraw/zinc/97/56/67/964975667.db2.gz	SHVVMTGIRKVMME-IKGGRYGDSA-N	1	0	353.507	1.758	20	30		FDEDRO
C[C@H](C#N)C(=O)N(CC[NH+](C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC001179896035	965020361	/nfs/dbraw/zinc/02/03/61/965020361.db2.gz	NELJJXMNZKUPMJ-HUUCEWRRSA-N	1	0	352.479	1.936	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCC(NC(=O)OC(C)(C)C)CC2)C1	ZINC001179896508	965021276	/nfs/dbraw/zinc/02/12/76/965021276.db2.gz	PHGIQZDQIMAUNU-UKRRQHHQSA-N	1	0	350.463	1.736	20	30		FDEDRO
C[C@H](C#N)C(=O)n1c2ncnc-2c(OCc2ccc(C[NH3+])cc2)nc1N	ZINC001179900839	965022502	/nfs/dbraw/zinc/02/25/02/965022502.db2.gz	PNARWLBFAHYVGF-SNVBAGLBSA-N	1	0	351.370	1.076	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)NC(C)C)C[C@H]21	ZINC001187226374	965101839	/nfs/dbraw/zinc/10/18/39/965101839.db2.gz	USRVPNWNAYWKMR-IXDOHACOSA-N	1	0	366.506	1.208	20	30		FDEDRO
C=CCCC(=O)N1CC[C@H]2C[N@H+](CCn3cnc4ccccc4c3=O)C[C@H]21	ZINC001187232842	965107097	/nfs/dbraw/zinc/10/70/97/965107097.db2.gz	JYMWPUHPYNOMRX-QFBILLFUSA-N	1	0	366.465	1.895	20	30		FDEDRO
CCOC(=O)CCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC001187238934	965113354	/nfs/dbraw/zinc/11/33/54/965113354.db2.gz	ZAZLUEWOANRCNO-UHFFFAOYSA-N	1	0	358.442	1.775	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)N(CC)CC(=C)C)C[C@H]21	ZINC001187280356	965159448	/nfs/dbraw/zinc/15/94/48/965159448.db2.gz	JTKDCYYYRJLZCZ-FGTMMUONSA-N	1	0	363.502	1.535	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CN(CC)CCO2)C1	ZINC000957594393	1013564265	/nfs/dbraw/zinc/56/42/65/1013564265.db2.gz	QEQDRGYYSUSPSF-BZUAXINKSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@H]2C[N@@H+](CCO[C@H]3CC3(F)F)C[C@H]21	ZINC001187472183	965384008	/nfs/dbraw/zinc/38/40/08/965384008.db2.gz	BOBFKQMBAGQAQY-XHSDSOJGSA-N	1	0	358.429	1.926	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]21	ZINC001187472615	965385122	/nfs/dbraw/zinc/38/51/22/965385122.db2.gz	MOSRLRXBPCPPKY-IPMKNSEASA-N	1	0	368.518	1.535	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](CC[C@H]3CCCC3(F)F)C[C@H]21	ZINC001187591887	965512026	/nfs/dbraw/zinc/51/20/26/965512026.db2.gz	XUOFKKABQJGKLB-ARFHVFGLSA-N	1	0	367.440	1.484	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@H+](Cc3cc4ccccc4o3)C[C@H]21	ZINC001187598321	965519539	/nfs/dbraw/zinc/51/95/39/965519539.db2.gz	LMVCENKXVOQMJF-FUHWJXTLSA-N	1	0	365.433	1.605	20	30		FDEDRO
C#CCCCCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]21	ZINC001187605327	965552842	/nfs/dbraw/zinc/55/28/42/965552842.db2.gz	DTUFTQYJFAZHAV-IPMKNSEASA-N	1	0	350.503	1.746	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC(C)(C)O)[C@@H]2C1	ZINC001187729771	965672473	/nfs/dbraw/zinc/67/24/73/965672473.db2.gz	WKBVOTWBYWXIQK-YESZJQIVSA-N	1	0	365.518	1.493	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C#N)ccc3OC)C[C@H]21	ZINC001187754797	965717090	/nfs/dbraw/zinc/71/70/90/965717090.db2.gz	DSCZFGNHBOWHAX-YRISNDGFSA-N	1	0	369.465	1.927	20	30		FDEDRO
COc1cccc([C@H](O)C[N@@H+]2C[C@@H]3CCN(C(=O)C#CC(C)C)[C@@H]3C2)c1	ZINC001187849170	965789020	/nfs/dbraw/zinc/78/90/20/965789020.db2.gz	LLFOEOKYBYNTMB-DFQSSKMNSA-N	1	0	356.466	1.921	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)[C@@H]2C1	ZINC001187904173	965845486	/nfs/dbraw/zinc/84/54/86/965845486.db2.gz	RDGNWIIXEUAQHH-ZMSDIMECSA-N	1	0	357.458	1.262	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc4nonc4c3)C[C@H]21	ZINC001187882320	965883680	/nfs/dbraw/zinc/88/36/80/965883680.db2.gz	NDBZDRNSJFFCAI-QIIPPGSGSA-N	1	0	354.410	1.294	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccncc3C)[C@@H]2C1	ZINC001187930550	965911882	/nfs/dbraw/zinc/91/18/82/965911882.db2.gz	VTJZFGGJJQTZKU-BPQIPLTHSA-N	1	0	356.470	1.156	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CC(C)(C)C3=O)[C@@H]2C1	ZINC001187930684	965913189	/nfs/dbraw/zinc/91/31/89/965913189.db2.gz	XXIUSUAOCVXWLC-HRCADAONSA-N	1	0	361.486	1.659	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]21	ZINC001188212937	966127461	/nfs/dbraw/zinc/12/74/61/966127461.db2.gz	QBRFITULVLMWNX-FUHWJXTLSA-N	1	0	356.470	1.347	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CC(C)(C)COC)[C@@H]3C2)C1=O	ZINC001188680790	966491860	/nfs/dbraw/zinc/49/18/60/966491860.db2.gz	MAJBAPLOSSXJND-GVDBMIGSSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1	ZINC000775188810	966494815	/nfs/dbraw/zinc/49/48/15/966494815.db2.gz	DPPPMINRJMHGDE-INIZCTEOSA-N	1	0	374.485	1.068	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3nc(C)n(-c4nc[nH]n4)n3)[C@@H]2C1	ZINC001188724225	966537683	/nfs/dbraw/zinc/53/76/83/966537683.db2.gz	OZAKXOWASGZMRF-VHDGCEQUSA-N	1	0	370.461	1.195	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3nc(C(C)C)no3)[C@@H]2C1	ZINC001188739855	966549542	/nfs/dbraw/zinc/54/95/42/966549542.db2.gz	WGIAYYZGYSUAQW-JKSUJKDBSA-N	1	0	360.458	1.308	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@H]21	ZINC001188885614	966608981	/nfs/dbraw/zinc/60/89/81/966608981.db2.gz	RISQKHFJUJWDLR-IXDOHACOSA-N	1	0	369.531	1.157	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]21	ZINC001188909585	966649925	/nfs/dbraw/zinc/64/99/25/966649925.db2.gz	VXWCIERGAZTCPI-BPQIPLTHSA-N	1	0	368.543	1.946	20	30		FDEDRO
C=CCCCC(=O)N1CC[C@H]2C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@H]21	ZINC001189006901	966696741	/nfs/dbraw/zinc/69/67/41/966696741.db2.gz	MATOCIMAKFQTRS-JKSUJKDBSA-N	1	0	357.520	1.157	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c(C)noc3C)[C@@H]2C1	ZINC001189343162	966923987	/nfs/dbraw/zinc/92/39/87/966923987.db2.gz	YTFGZHCILRFOSE-UCLAIMLFSA-N	1	0	359.470	1.653	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3C[N@H+](CCOCC4CCC4)C[C@H]32)nn1	ZINC001189350821	966938084	/nfs/dbraw/zinc/93/80/84/966938084.db2.gz	QEIKWOMDROGNNG-FUHWJXTLSA-N	1	0	359.474	1.427	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)C(=O)NCc3ccc(F)cc3)[C@@H]2C1	ZINC001189359138	966943311	/nfs/dbraw/zinc/94/33/11/966943311.db2.gz	ICQQXALMAFHMBW-FUHWJXTLSA-N	1	0	359.445	1.941	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c(C)cc(C)nc3=O)[C@@H]2C1	ZINC001189537569	967059082	/nfs/dbraw/zinc/05/90/82/967059082.db2.gz	JHBSMQKRYBOZLL-RYQLBKOJSA-N	1	0	358.486	1.748	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)CCCn4cncn4)[C@@H]3C2)cc1	ZINC001189676340	967144708	/nfs/dbraw/zinc/14/47/08/967144708.db2.gz	OORMWSDHAILZCZ-RBUKOAKNSA-N	1	0	364.453	1.663	20	30		FDEDRO
C#C[C@@H](NC(=O)NCC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CCCO1	ZINC000852259719	967162935	/nfs/dbraw/zinc/16/29/35/967162935.db2.gz	KHABSYDNWLAAIY-RTBURBONSA-N	1	0	356.470	1.774	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3cccc(NC(C)=O)c3)[C@@H]2C1	ZINC001189907029	967366415	/nfs/dbraw/zinc/36/64/15/967366415.db2.gz	QFMUABKRGCREKK-AZUAARDMSA-N	1	0	371.481	1.923	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCCc3ccccn3)[C@@H]2C1	ZINC001189898814	967415201	/nfs/dbraw/zinc/41/52/01/967415201.db2.gz	PHFNCXYETOXGIZ-JENIJYKNSA-N	1	0	370.497	1.628	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4ccccc4oc3=O)[C@@H]2C1	ZINC001190013056	967463860	/nfs/dbraw/zinc/46/38/60/967463860.db2.gz	BODMDVQTBJVXOS-FUHWJXTLSA-N	1	0	366.417	1.589	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)[C@@H]2C1	ZINC001190019660	967468355	/nfs/dbraw/zinc/46/83/55/967468355.db2.gz	HPCFBRBOKHKFAU-SOUVJXGZSA-N	1	0	362.474	1.204	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cccc(F)c3)[C@@H]2C1	ZINC001190050296	967515499	/nfs/dbraw/zinc/51/54/99/967515499.db2.gz	ALIDTPBXDYCYSN-UWWQBHOKSA-N	1	0	359.445	1.592	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccccc3OC)[C@@H]2C1	ZINC001190058739	967521101	/nfs/dbraw/zinc/52/11/01/967521101.db2.gz	KHRDWYSJTIFFJW-RYQLBKOJSA-N	1	0	371.481	1.461	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1	ZINC001190072127	967546185	/nfs/dbraw/zinc/54/61/85/967546185.db2.gz	GGMBBBKBXXJKQB-LSDHHAIUSA-N	1	0	350.463	1.041	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(Cc2nc3ccccc3c(=O)n2CC#N)CCO1	ZINC000852760405	967587305	/nfs/dbraw/zinc/58/73/05/967587305.db2.gz	FKZBCTOSINYFKS-MRXNPFEDSA-N	1	0	369.469	1.463	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOC[C@@H]2CCCO2)c1	ZINC001110423628	967597228	/nfs/dbraw/zinc/59/72/28/967597228.db2.gz	UAYDOVUNHIOQCU-HPFXQQBRSA-N	1	0	358.442	1.417	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCN(C(=O)c2cccc(Cl)c2)CC1	ZINC000852808607	967622249	/nfs/dbraw/zinc/62/22/49/967622249.db2.gz	DNQFNCMHJPVSPT-UHFFFAOYSA-N	1	0	359.857	1.627	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)CCC[NH2+]1	ZINC000852809351	967623133	/nfs/dbraw/zinc/62/31/33/967623133.db2.gz	DGONOMJMFDFEGI-GJZGRUSLSA-N	1	0	360.380	1.375	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCC(NC(=O)Nc2ccccc2)CC1	ZINC000852821378	967633528	/nfs/dbraw/zinc/63/35/28/967633528.db2.gz	MBSRBFGRKBINCS-UHFFFAOYSA-N	1	0	354.454	1.802	20	30		FDEDRO
Cc1ccccc1CC(=O)N1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1	ZINC000852826207	967637263	/nfs/dbraw/zinc/63/72/63/967637263.db2.gz	CLKCMCRCQAUMNT-UHFFFAOYSA-N	1	0	353.466	1.211	20	30		FDEDRO
CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C#CC2CC[NH2+]CC2)c1	ZINC000852849661	967655161	/nfs/dbraw/zinc/65/51/61/967655161.db2.gz	JOIQDRMFCSJNOM-AWEZNQCLSA-N	1	0	363.483	1.705	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1	ZINC000852854729	967659774	/nfs/dbraw/zinc/65/97/74/967659774.db2.gz	NXEPEZXAHJHDFI-UHFFFAOYSA-N	1	0	369.465	1.105	20	30		FDEDRO
CCOc1ccc(CN2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)cc1	ZINC000852857478	967661593	/nfs/dbraw/zinc/66/15/93/967661593.db2.gz	USNPXTAPYLCMFX-UHFFFAOYSA-N	1	0	355.482	1.733	20	30		FDEDRO
Cc1cccc([C@H](CNC(=O)C#CC2CC[NH2+]CC2)N2CCOCC2)c1	ZINC000852859690	967665111	/nfs/dbraw/zinc/66/51/11/967665111.db2.gz	ZYHAOMZBRVMRQD-FQEVSTJZSA-N	1	0	355.482	1.488	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CCN(c2ccccc2OC(F)F)C1	ZINC000852867240	967673388	/nfs/dbraw/zinc/67/33/88/967673388.db2.gz	RNTQZYCFWGHDCP-OAHLLOKOSA-N	1	0	363.408	1.986	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc(Cl)cn3)[C@@H]2C1	ZINC001190304897	967719615	/nfs/dbraw/zinc/71/96/15/967719615.db2.gz	AAOVPIHHRKOESR-GOEBONIOSA-N	1	0	350.850	1.109	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2CC[C@H]3C[N@@H+](CC#CCOC)C[C@H]32)cc1	ZINC001190377965	967813338	/nfs/dbraw/zinc/81/33/38/967813338.db2.gz	PNYPQFFHPDCJMT-PZJWPPBQSA-N	1	0	368.477	1.976	20	30		FDEDRO
C#C[C@@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)C1CCOCC1	ZINC000853116454	967841603	/nfs/dbraw/zinc/84/16/03/967841603.db2.gz	JTTUDNVPEGCZTR-SJLPKXTDSA-N	1	0	358.438	1.329	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(C(=O)NC)c3)C[C@H]21	ZINC001190441421	967854322	/nfs/dbraw/zinc/85/43/22/967854322.db2.gz	UKQINZAPZOWGKX-RBUKOAKNSA-N	1	0	371.481	1.672	20	30		FDEDRO
N#Cc1ccc(N2C[C@@]3(COCC[N@H+](C[C@@H]4CCOC4)C3)OCC2=O)cc1	ZINC001202487663	967879432	/nfs/dbraw/zinc/87/94/32/967879432.db2.gz	NCIACPNQOQBYOK-PXNSSMCTSA-N	1	0	371.437	1.029	20	30		FDEDRO
CCO[C@H](C(=O)N1CC[C@H]2C[N@H+](CC#CCOC)C[C@H]21)c1ccccc1	ZINC001190466669	967891239	/nfs/dbraw/zinc/89/12/39/967891239.db2.gz	AVQSAUDFYFFHFO-ZCNNSNEGSA-N	1	0	356.466	1.947	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)COCCc3ccccc3)[C@@H]2C1	ZINC001190500813	967903965	/nfs/dbraw/zinc/90/39/65/967903965.db2.gz	KPGYCBCVJKYIPN-VQTJNVASSA-N	1	0	356.466	1.428	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCCOC(C)C)[C@@H]3C2)C1=O	ZINC001190495980	967931006	/nfs/dbraw/zinc/93/10/06/967931006.db2.gz	WDXCNSADQSOMFT-OKZBNKHCSA-N	1	0	363.502	1.511	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(NC(C)=O)ccc3C)[C@@H]2C1	ZINC001190535485	967933836	/nfs/dbraw/zinc/93/38/36/967933836.db2.gz	PPPJADWAVOYOOM-FXAWDEMLSA-N	1	0	369.465	1.750	20	30		FDEDRO
N#Cc1ncc(Br)cc1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC000853266417	967950442	/nfs/dbraw/zinc/95/04/42/967950442.db2.gz	DRJHNXOEGVMYIZ-ZFWWWQNUSA-N	1	0	351.248	1.751	20	30		FDEDRO
CCOC(=O)C1CC[NH+](C2CCN(C(=O)c3ccc(C#N)cn3)CC2)CC1	ZINC001190584297	967968365	/nfs/dbraw/zinc/96/83/65/967968365.db2.gz	MOHFMFURTNYGIO-UHFFFAOYSA-N	1	0	370.453	1.833	20	30		FDEDRO
C[NH+](C)CCOCc1ncn2c1CN(C(=O)c1ccc(C#N)cn1)CCC2	ZINC001190589574	967970447	/nfs/dbraw/zinc/97/04/47/967970447.db2.gz	DIHYSCNBOKMVIY-UHFFFAOYSA-N	1	0	368.441	1.274	20	30		FDEDRO
CN1CCC(CNS(=O)(=O)c2cc(C#N)ccc2F)([NH+](C)C)CC1	ZINC001190661449	967985183	/nfs/dbraw/zinc/98/51/83/967985183.db2.gz	UYJLYVRXFFQXLU-UHFFFAOYSA-N	1	0	354.451	1.002	20	30		FDEDRO
C#CCCCOc1cccnc1N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000853455826	968023154	/nfs/dbraw/zinc/02/31/54/968023154.db2.gz	JCDHSGNTPDLNDI-KRWDZBQOSA-N	1	0	356.470	1.792	20	30		FDEDRO
N#CC[C@H]1CCCN(CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)C1	ZINC000853524332	968081225	/nfs/dbraw/zinc/08/12/25/968081225.db2.gz	LWEIYIFHLCNBEM-QRVBRYPASA-N	1	0	366.465	1.687	20	30		FDEDRO
N#Cc1ccccc1C[NH+]1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1	ZINC000077667662	968091099	/nfs/dbraw/zinc/09/10/99/968091099.db2.gz	BTYCSVLKOLCOLK-UHFFFAOYSA-N	1	0	354.454	1.494	20	30		FDEDRO
N#CCSCC(=O)N[C@@H]1C[N@@H+](Cc2cccc3ccccc32)C[C@H]1O	ZINC001191162472	968307120	/nfs/dbraw/zinc/30/71/20/968307120.db2.gz	VMZABTZPCCMULL-QZTJIDSGSA-N	1	0	355.463	1.758	20	30		FDEDRO
N#Cc1cc(S(N)(=O)=O)ccc1NC[C@@H]1CC[N@@H+]1Cc1ccccc1	ZINC000853978140	968490895	/nfs/dbraw/zinc/49/08/95/968490895.db2.gz	CUAYCUVNDXPMEC-INIZCTEOSA-N	1	0	356.451	1.892	20	30		FDEDRO
C#CCCN(CCOC)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000854021797	968537275	/nfs/dbraw/zinc/53/72/75/968537275.db2.gz	RRPQPLKAEOPRBO-FQEVSTJZSA-N	1	0	373.497	1.959	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@H]1O	ZINC001191608969	968660637	/nfs/dbraw/zinc/66/06/37/968660637.db2.gz	PUOOTLOGQWUTSY-CWFSZBLJSA-N	1	0	358.482	1.818	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCc2ccccc2CC)C[C@H]1O	ZINC001191614543	968668202	/nfs/dbraw/zinc/66/82/02/968668202.db2.gz	MIZCKBYZZGAIPM-NSISKUIASA-N	1	0	360.498	1.934	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@H+](CC/C=C/c2cccc(OC)c2)C[C@H]1O	ZINC001191754620	968758419	/nfs/dbraw/zinc/75/84/19/968758419.db2.gz	ANGYXVVAFMUIGN-LVLPYEQSSA-N	1	0	360.454	1.462	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](CCCOc2ccc(Cl)cc2)C[C@H]1O	ZINC001191756027	968760000	/nfs/dbraw/zinc/76/00/00/968760000.db2.gz	OTZSEMCLJCMXKQ-IAGOWNOFSA-N	1	0	368.861	1.473	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@@]1(C)CC1(Br)Br	ZINC000854664557	969066715	/nfs/dbraw/zinc/06/67/15/969066715.db2.gz	WSDIEWIJYSWNIX-LLVKDONJSA-N	1	0	366.097	1.954	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@]1(C)CC1(Br)Br	ZINC000854664558	969067496	/nfs/dbraw/zinc/06/74/96/969067496.db2.gz	WSDIEWIJYSWNIX-NSHDSACASA-N	1	0	366.097	1.954	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OCC)C1	ZINC000776752955	969082159	/nfs/dbraw/zinc/08/21/59/969082159.db2.gz	PNISXPFBUSFZDA-MELADBBJSA-N	1	0	354.451	1.233	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCOc2cccc(CC)c2)C[C@H]1O	ZINC001192547125	969157029	/nfs/dbraw/zinc/15/70/29/969157029.db2.gz	MMMHDSRJIDHMBM-GGPKGHCWSA-N	1	0	362.470	1.116	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@@H+](CCOCCOc2ccccc2)C[C@H]1O	ZINC001192524968	969170699	/nfs/dbraw/zinc/17/06/99/969170699.db2.gz	OKKMKYPYHQNIQM-RTBURBONSA-N	1	0	360.454	1.047	20	30		FDEDRO
C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001192786564	969290460	/nfs/dbraw/zinc/29/04/60/969290460.db2.gz	CGIBILMLJWUYRG-ZIFCJYIRSA-N	1	0	356.470	1.710	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCCc2ccc(Cl)cc2)C[C@H]1O	ZINC001192898915	969352909	/nfs/dbraw/zinc/35/29/09/969352909.db2.gz	CZQJDFGVRQQGBW-ZTFGCOKTSA-N	1	0	364.873	1.472	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)Cc2cccc(F)c2)C1	ZINC001192977408	969414581	/nfs/dbraw/zinc/41/45/81/969414581.db2.gz	DZYDBFKKWYPPCN-KFKAGJAMSA-N	1	0	364.461	1.758	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3nccc(C)c3c2)C1	ZINC001193240507	969569309	/nfs/dbraw/zinc/56/93/09/969569309.db2.gz	JNBKXHWCUATPOR-RTBURBONSA-N	1	0	355.438	1.521	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1CN(Cc2cccc(C(=O)NC)c2)C[C@H]1O	ZINC001193345654	969646750	/nfs/dbraw/zinc/64/67/50/969646750.db2.gz	UCQXBVROUGJKDQ-IAGOWNOFSA-N	1	0	359.470	1.310	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1CN(CC(=O)N2CCCC[C@@H]2CC)C[C@H]1O	ZINC001193345528	969647081	/nfs/dbraw/zinc/64/70/81/969647081.db2.gz	OUMZHKGADZZANB-GVDBMIGSSA-N	1	0	365.518	1.541	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCc2cccs2)C[C@H]1O	ZINC001193377434	969669223	/nfs/dbraw/zinc/66/92/23/969669223.db2.gz	SSFXVTFYSREKQY-DJIMGWMZSA-N	1	0	368.499	1.143	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(c3cccc(Cl)c3)CC2)C1	ZINC001193499867	969720146	/nfs/dbraw/zinc/72/01/46/969720146.db2.gz	MSCFLIOLKZOHNL-IAGOWNOFSA-N	1	0	364.873	1.736	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCCc2cccc(F)c2)C1	ZINC001193568995	969740394	/nfs/dbraw/zinc/74/03/94/969740394.db2.gz	MQNKFGITVDEODP-KFKAGJAMSA-N	1	0	364.461	1.901	20	30		FDEDRO
COCCC[NH+]1CCC(NS(=O)(=O)c2cc(OC)ccc2C#N)CC1	ZINC001193699222	969827823	/nfs/dbraw/zinc/82/78/23/969827823.db2.gz	UBUBLCPQOGOXBH-UHFFFAOYSA-N	1	0	367.471	1.346	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cccc3cnccc32)C1	ZINC001194109265	969996045	/nfs/dbraw/zinc/99/60/45/969996045.db2.gz	AABUEQMHEXJEIM-RTBURBONSA-N	1	0	355.438	1.141	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCc2ccnc(OC)c2)C1	ZINC001194119137	969999737	/nfs/dbraw/zinc/99/97/37/969999737.db2.gz	PAUGORODRHGORV-USXIJHARSA-N	1	0	363.458	1.123	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCc2cccc(OC)c2)C1	ZINC001194351878	970119949	/nfs/dbraw/zinc/11/99/49/970119949.db2.gz	GFNUVNLSBKYULY-ATZDWAIDSA-N	1	0	362.470	1.728	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc3ccccc3s2)C1	ZINC001194643900	970283732	/nfs/dbraw/zinc/28/37/32/970283732.db2.gz	CTVJMKABVAOLBM-IAGOWNOFSA-N	1	0	360.479	1.808	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnc3c2CCCC3)C1	ZINC001194744645	970351297	/nfs/dbraw/zinc/35/12/97/970351297.db2.gz	AYOANRXNFRKWRU-IEBWSBKVSA-N	1	0	360.502	1.670	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnc3c2CCCC3)C1	ZINC001194745926	970354659	/nfs/dbraw/zinc/35/46/59/970354659.db2.gz	OGBMBZTWPQPNIO-IEBWSBKVSA-N	1	0	362.518	1.894	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)NC(C)(C)C1=O	ZINC001110464139	970574915	/nfs/dbraw/zinc/57/49/15/970574915.db2.gz	KFXDZUUFMOWGOC-OAGGEKHMSA-N	1	0	374.485	1.232	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCC(F)(F)C1	ZINC001110465567	970661918	/nfs/dbraw/zinc/66/19/18/970661918.db2.gz	JGJBNDUJULZLNX-YJNKXOJESA-N	1	0	353.413	1.283	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2N(C)C(C)=O)C1	ZINC001195128354	970708430	/nfs/dbraw/zinc/70/84/30/970708430.db2.gz	HAAGWZHRTUOXAI-POZUXBRTSA-N	1	0	359.470	1.799	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2Cc3ccccc3C2=O)C1	ZINC001197912837	972578888	/nfs/dbraw/zinc/57/88/88/972578888.db2.gz	WSTVIMZOIQYCGT-RTBURBONSA-N	1	0	371.481	1.550	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@H]1O	ZINC001198004027	972631685	/nfs/dbraw/zinc/63/16/85/972631685.db2.gz	RFNKHHNUPDNHTO-QZTJIDSGSA-N	1	0	362.449	1.091	20	30		FDEDRO
CC(=NN[C@@H]1CCCS(=O)(=O)C1)c1cccc(OCC[NH+](C)C)c1	ZINC000863130325	972672520	/nfs/dbraw/zinc/67/25/20/972672520.db2.gz	MOHHPDOONWPPIA-MRXNPFEDSA-N	1	0	353.488	1.518	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)c3ccccc32)C1	ZINC001198020179	972694563	/nfs/dbraw/zinc/69/45/63/972694563.db2.gz	HXYAEZBZBYAFTI-APHBMKBZSA-N	1	0	356.426	1.465	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc2nonc2c1	ZINC001110502941	972772528	/nfs/dbraw/zinc/77/25/28/972772528.db2.gz	XHUCVTWCJZVZMB-WKCGWZECSA-N	1	0	356.426	1.771	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O	ZINC001198134294	972776122	/nfs/dbraw/zinc/77/61/22/972776122.db2.gz	QSHKQJKKKYFMJM-WOJBJXKFSA-N	1	0	356.466	1.188	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1	ZINC000863551962	973009245	/nfs/dbraw/zinc/00/92/45/973009245.db2.gz	UMKBVQFNABRKNR-SJLPKXTDSA-N	1	0	356.470	1.533	20	30		FDEDRO
Cc1nccn1-c1ncccc1C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1	ZINC000863551669	973009398	/nfs/dbraw/zinc/00/93/98/973009398.db2.gz	PFLOFLHGXXSYPF-KRWDZBQOSA-N	1	0	355.442	1.737	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCCO[C@@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1	ZINC000863557754	973014618	/nfs/dbraw/zinc/01/46/18/973014618.db2.gz	QUWUQXWZXWTNNC-GJZGRUSLSA-N	1	0	353.463	1.657	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H](O)COc1cccc(F)c1	ZINC000863559484	973016844	/nfs/dbraw/zinc/01/68/44/973016844.db2.gz	OOZVOMWWFVWXTL-IAGOWNOFSA-N	1	0	360.385	1.467	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCCCC2=O)C1	ZINC001198458515	973122967	/nfs/dbraw/zinc/12/29/67/973122967.db2.gz	MBNCMLHXICQVKN-IAGOWNOFSA-N	1	0	351.491	1.297	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cnnn3)c2)C1	ZINC001198521293	973204815	/nfs/dbraw/zinc/20/48/15/973204815.db2.gz	ZPKVXMXJPUDDRE-QZTJIDSGSA-N	1	0	370.457	1.184	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccccc2F)C1	ZINC001198639165	973343976	/nfs/dbraw/zinc/34/39/76/973343976.db2.gz	UULXNDXLOJBMFD-IAOVAPTHSA-N	1	0	363.433	1.072	20	30		FDEDRO
Cn1c(CC#N)nn(CN2CCC(C[NH+]3CCOCC3)CC2)c1=S	ZINC000794620502	973485305	/nfs/dbraw/zinc/48/53/05/973485305.db2.gz	OYOKNVAKCOFMIK-UHFFFAOYSA-N	1	0	350.492	1.019	20	30		FDEDRO
CCN(CC)c1ccc(/C=[NH+]\C[C@]23COCCN2C(=O)COC3)c(O)c1	ZINC000864349446	973508647	/nfs/dbraw/zinc/50/86/47/973508647.db2.gz	YBIDMNLZMDETQW-QKPLWSGESA-N	1	0	361.442	1.285	20	30		FDEDRO
CC[N@H+](C)[C@@H]1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC001198883970	973655526	/nfs/dbraw/zinc/65/55/26/973655526.db2.gz	WGIQCMFOIOCMDB-QGZVFWFLSA-N	1	0	352.442	1.708	20	30		FDEDRO
C=C[C@@H](C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1O)c1ccccc1	ZINC001198956296	973739680	/nfs/dbraw/zinc/73/96/80/973739680.db2.gz	TZVSRRPXFQUIKY-GUDVDZBRSA-N	1	0	354.454	1.094	20	30		FDEDRO
O=C(CC#Cc1ccccc1)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O	ZINC001198944732	973784829	/nfs/dbraw/zinc/78/48/29/973784829.db2.gz	MMODSCNPJQULET-NJDAHSKKSA-N	1	0	370.493	1.531	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCOc2ccccc2F)C1	ZINC001198997811	973823241	/nfs/dbraw/zinc/82/32/41/973823241.db2.gz	NUWHKXDCBFLONC-IAGOWNOFSA-N	1	0	366.433	1.349	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000645253132	1014143242	/nfs/dbraw/zinc/14/32/42/1014143242.db2.gz	WQGMZJSOXGFNKS-MOPGFXCFSA-N	1	0	358.486	1.049	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)[nH]c(=O)n3C)C1	ZINC001199095743	973911857	/nfs/dbraw/zinc/91/18/57/973911857.db2.gz	KBFYDULNERSKMI-XGWLTEMNSA-N	1	0	358.442	1.409	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCOc2cccc(OC)c2)C1	ZINC001199096718	973913010	/nfs/dbraw/zinc/91/30/10/973913010.db2.gz	RKVYHSOTOHASDG-KFKAGJAMSA-N	1	0	362.470	1.980	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1O)[NH+]1CCCC1	ZINC001199127436	973927120	/nfs/dbraw/zinc/92/71/20/973927120.db2.gz	CJZBEMWXHMHTAG-AQNXPRMDSA-N	1	0	370.497	1.340	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=S)Nc1ccc(S(N)(=O)=O)cc1	ZINC001199237044	974052307	/nfs/dbraw/zinc/05/23/07/974052307.db2.gz	WPYIWFPYQCMKNY-ZDUSSCGKSA-N	1	0	354.501	1.271	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CC1	ZINC000865194078	974174493	/nfs/dbraw/zinc/17/44/93/974174493.db2.gz	RVNOWZBMRSYGBS-HNNXBMFYSA-N	1	0	355.479	1.419	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(OCC(N)=O)cc3)C2)nc1	ZINC000794831245	974179006	/nfs/dbraw/zinc/17/90/06/974179006.db2.gz	DRYVSVMNRBQZRX-QGZVFWFLSA-N	1	0	352.394	1.471	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@H+](CCCOc2ccccc2C)C[C@H]1O	ZINC001199315363	974183088	/nfs/dbraw/zinc/18/30/88/974183088.db2.gz	YGNRPTWFQOBIMJ-QZTJIDSGSA-N	1	0	362.470	1.518	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCCc2ccccc2OC)C[C@H]1O	ZINC001199318049	974184670	/nfs/dbraw/zinc/18/46/70/974184670.db2.gz	JSZUILFDDKHPRU-KBAYOESNSA-N	1	0	362.470	1.380	20	30		FDEDRO
C#C[C@H](NS(=O)(=O)CCC[NH+](C)C)c1ccc(Br)cc1	ZINC000867317947	974251184	/nfs/dbraw/zinc/25/11/84/974251184.db2.gz	WROAGNKAGPYWPC-AWEZNQCLSA-N	1	0	359.289	1.995	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O	ZINC000865481165	974319670	/nfs/dbraw/zinc/31/96/70/974319670.db2.gz	MUHSIVDZABNPFT-DNVCBOLYSA-N	1	0	355.442	1.434	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]C[C@H]1CCC[C@H]1NS(C)(=O)=O	ZINC000865489576	974324339	/nfs/dbraw/zinc/32/43/39/974324339.db2.gz	FAUFRQBVPFQMOG-GDBMZVCRSA-N	1	0	350.488	1.432	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2cccc(Cl)c2)C1	ZINC001199531931	974355124	/nfs/dbraw/zinc/35/51/24/974355124.db2.gz	OMEJRSWQFDPVTA-BMGDILEWSA-N	1	0	366.889	1.883	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1	ZINC001199550640	974390515	/nfs/dbraw/zinc/39/05/15/974390515.db2.gz	AVTSNWLJKXYMDR-XGWLTEMNSA-N	1	0	358.442	1.409	20	30		FDEDRO
N#C[C@]1(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CCCOC1	ZINC000865750794	974462514	/nfs/dbraw/zinc/46/25/14/974462514.db2.gz	SMYUKQDMYZRESG-HXUWFJFHSA-N	1	0	370.453	1.771	20	30		FDEDRO
C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC[N@@H+]1C	ZINC000120744530	974490611	/nfs/dbraw/zinc/49/06/11/974490611.db2.gz	YFQCBXVSZJDFHZ-OCCSQVGLSA-N	1	0	362.405	1.608	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COc1ccccc1	ZINC001110551060	974734030	/nfs/dbraw/zinc/73/40/30/974734030.db2.gz	NHWQNWCHGIPMLY-BWPNAZKDSA-N	1	0	372.465	1.188	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1	ZINC000867358201	974790157	/nfs/dbraw/zinc/79/01/57/974790157.db2.gz	WVQPQHPCUBYJCS-RTBURBONSA-N	1	0	368.481	1.849	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCCCOC)C1	ZINC001200528439	974807760	/nfs/dbraw/zinc/80/77/60/974807760.db2.gz	KVTKOCBKYOQVNF-KSZLIROESA-N	1	0	354.491	1.601	20	30		FDEDRO
Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1	ZINC001200553591	974817941	/nfs/dbraw/zinc/81/79/41/974817941.db2.gz	BJDPACQMCLJXNO-HUUCEWRRSA-N	1	0	360.483	1.380	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CCCO1	ZINC001200554273	974822678	/nfs/dbraw/zinc/82/26/78/974822678.db2.gz	HTTCYGBKENZNDM-VSZNYVQBSA-N	1	0	361.486	1.098	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)CCCO1	ZINC001200955125	974944726	/nfs/dbraw/zinc/94/47/26/974944726.db2.gz	HGQNCANTBJXZJI-CEXWTWQISA-N	1	0	366.502	1.459	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCCO1	ZINC001201042886	974956331	/nfs/dbraw/zinc/95/63/31/974956331.db2.gz	OVSMONSWWOKTCC-XWTMOSNGSA-N	1	0	352.475	1.211	20	30		FDEDRO
CN1CCO[C@@H](CNC(=S)Nc2ccc(C#N)cc2Br)C1	ZINC001201131069	974969034	/nfs/dbraw/zinc/96/90/34/974969034.db2.gz	UVBIAWKPVKLIPT-NSHDSACASA-N	1	0	369.288	1.938	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC(=O)N(c3cn[nH]c3)C1)C2	ZINC001110561087	974980532	/nfs/dbraw/zinc/98/05/32/974980532.db2.gz	MJFCDXYJKVBDGX-SRABZTEZSA-N	1	0	357.458	1.450	20	30		FDEDRO
COCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C)c(C#N)c1	ZINC001201302912	975001466	/nfs/dbraw/zinc/00/14/66/975001466.db2.gz	AIAAJCQSIGAYGE-UHFFFAOYSA-N	1	0	351.472	1.598	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1	ZINC000867386284	975009173	/nfs/dbraw/zinc/00/91/73/975009173.db2.gz	ILBXFFYQEUWFPS-MJGOQNOKSA-N	1	0	371.481	1.762	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CCOC(C)C)C1	ZINC001201599877	975085312	/nfs/dbraw/zinc/08/53/12/975085312.db2.gz	BLGDZGKFMMANCS-QYZOEREBSA-N	1	0	368.518	1.990	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCOCC)C1	ZINC001201600641	975092494	/nfs/dbraw/zinc/09/24/94/975092494.db2.gz	IMDIUXPMIAUZBI-BZSNNMDCSA-N	1	0	354.491	1.601	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(C)(C)C	ZINC001110575364	975251140	/nfs/dbraw/zinc/25/11/40/975251140.db2.gz	IUJUWRWNEKCDHK-MTSZKFMLSA-N	1	0	363.502	1.604	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000776277061	975289234	/nfs/dbraw/zinc/28/92/34/975289234.db2.gz	OVTSFOZNWCUWFY-KRWDZBQOSA-N	1	0	353.382	1.717	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCCN1C(=O)CC)C2	ZINC001110583748	975327419	/nfs/dbraw/zinc/32/74/19/975327419.db2.gz	LAGUBKUNGFLVFN-BDXSIMOUSA-N	1	0	363.502	1.702	20	30		FDEDRO
CCOc1cc(C#N)ccc1OS(=O)(=O)CCCN1CC[NH+](C)CC1	ZINC000866409895	975618524	/nfs/dbraw/zinc/61/85/24/975618524.db2.gz	UDDGYDWDOFWZRS-UHFFFAOYSA-N	1	0	367.471	1.303	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)Cc2cnc[nH]2)CC1	ZINC000967658474	1014286649	/nfs/dbraw/zinc/28/66/49/1014286649.db2.gz	FQEQESAHGZMATJ-BBWFWOEESA-N	1	0	360.458	1.383	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCNC(C)=O	ZINC001110595638	976211228	/nfs/dbraw/zinc/21/12/28/976211228.db2.gz	ZOHQKELYWMVTMD-QRVBRYPASA-N	1	0	363.502	1.629	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNS(=O)(=O)CC	ZINC001110603753	976896169	/nfs/dbraw/zinc/89/61/69/976896169.db2.gz	RTQGDEQMAOBULR-OAGGEKHMSA-N	1	0	371.547	1.640	20	30		FDEDRO
C[C@]1(c2cccc(-c3noc([C@H](N)CCCCC#N)n3)c2)NC(=O)NC1=O	ZINC000848626988	976960818	/nfs/dbraw/zinc/96/08/18/976960818.db2.gz	VVBYCAQBBSHEQI-FZKQIMNGSA-N	1	0	368.397	1.875	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)CCn3cccc3)C[C@H]2C)CC1	ZINC000958183511	1014361106	/nfs/dbraw/zinc/36/11/06/1014361106.db2.gz	NUPQHSZATIPPFW-IEBWSBKVSA-N	1	0	370.497	1.187	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1	ZINC000867953317	977134633	/nfs/dbraw/zinc/13/46/33/977134633.db2.gz	SOTRCLROGAIKKQ-MJGOQNOKSA-N	1	0	366.465	1.652	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C	ZINC000867997771	977179524	/nfs/dbraw/zinc/17/95/24/977179524.db2.gz	JIJSHPMEPVYWQT-QLFBSQMISA-N	1	0	355.479	1.539	20	30		FDEDRO
CN(CCc1cccc(C#N)c1)C(=O)NCCCC[NH+]1CCN(C)CC1	ZINC000868048485	977233398	/nfs/dbraw/zinc/23/33/98/977233398.db2.gz	KVBWIDZHQROGAA-UHFFFAOYSA-N	1	0	357.502	1.770	20	30		FDEDRO
CCNC(=O)COc1ccc(CNC(NCc2ccco2)=[NH+]C)cc1OC	ZINC000849025789	977292827	/nfs/dbraw/zinc/29/28/27/977292827.db2.gz	BPIFGBSNIFHUEX-UHFFFAOYSA-N	1	0	374.441	1.668	20	30		FDEDRO
C[NH+]=C(NCCc1c[nH]c2cc(Cl)ccc12)NCCN1CCOCC1	ZINC000849066962	977300668	/nfs/dbraw/zinc/30/06/68/977300668.db2.gz	SZFGMROBKNLDIH-UHFFFAOYSA-N	1	0	363.893	1.861	20	30		FDEDRO
Cc1noc(CCCNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)n1	ZINC000849087185	977308139	/nfs/dbraw/zinc/30/81/39/977308139.db2.gz	FXBAVKJOHHBUOH-ZDUSSCGKSA-N	1	0	364.450	1.191	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)N1CCN(c2ccc(C#N)cc2)CC1	ZINC000868356197	977523590	/nfs/dbraw/zinc/52/35/90/977523590.db2.gz	XYTAGPLAVOSWLW-UHFFFAOYSA-N	1	0	359.474	1.358	20	30		FDEDRO
CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(c2ccc(C#N)cc2)CC1	ZINC000868385366	977583783	/nfs/dbraw/zinc/58/37/83/977583783.db2.gz	PWHFMGGLEXAYPR-SFHVURJKSA-N	1	0	371.485	1.039	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1	ZINC000645483009	1014431104	/nfs/dbraw/zinc/43/11/04/1014431104.db2.gz	MXSUELQGZGDODT-WLYUNCDWSA-N	1	0	361.408	1.865	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)NC[C@H](C)c1ccc(S(C)(=O)=O)cc1	ZINC000868653622	977870296	/nfs/dbraw/zinc/87/02/96/977870296.db2.gz	YJEYFPJXFDBDIG-HNNXBMFYSA-N	1	0	365.499	1.448	20	30		FDEDRO
C#CCNC(=O)Cn1c2c(cc(C#N)c1=O)C[N@@H+](Cc1ccccc1)CC2	ZINC000850002807	978096859	/nfs/dbraw/zinc/09/68/59/978096859.db2.gz	FHANIJUOJOTEJB-UHFFFAOYSA-N	1	0	360.417	1.028	20	30		FDEDRO
N#Cc1cc2c(n(C[C@H]3CCC(=O)O3)c1=O)CC[N@H+](Cc1ccccc1)C2	ZINC000850003055	978096923	/nfs/dbraw/zinc/09/69/23/978096923.db2.gz	OZKOKKJDCICJCV-GOSISDBHSA-N	1	0	363.417	1.984	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C	ZINC000850507581	978407825	/nfs/dbraw/zinc/40/78/25/978407825.db2.gz	OVHGWONIOJJXMM-KBPBESRZSA-N	1	0	358.442	1.905	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1	ZINC000850666234	978583812	/nfs/dbraw/zinc/58/38/12/978583812.db2.gz	GEKJZYMRQOLUOJ-MRXNPFEDSA-N	1	0	357.454	1.874	20	30		FDEDRO
Cn1c(Cl)cnc1-c1csc(NC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)n1	ZINC000850754255	978661282	/nfs/dbraw/zinc/66/12/82/978661282.db2.gz	NBCMHLBFQJLTRD-SFYZADRCSA-N	1	0	351.823	1.430	20	30		FDEDRO
COc1ccc(C[NH2+][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1C#N	ZINC000776496610	978693807	/nfs/dbraw/zinc/69/38/07/978693807.db2.gz	BDEGLFTVULOBGF-DOTOQJQBSA-N	1	0	350.440	1.393	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1	ZINC000968001213	1014538325	/nfs/dbraw/zinc/53/83/25/1014538325.db2.gz	PPAFQWNKWCWBBM-KSZLIROESA-N	1	0	363.502	1.511	20	30		FDEDRO
C#C[C@@H](NC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1)[C@@H]1CCCO1	ZINC000851659008	978987170	/nfs/dbraw/zinc/98/71/70/978987170.db2.gz	KSFCGKARCSJQBZ-RDGPPVDQSA-N	1	0	357.454	1.621	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1	ZINC000851658925	978987321	/nfs/dbraw/zinc/98/73/21/978987321.db2.gz	LTQFWYNPVATOKP-HOTGVXAUSA-N	1	0	369.462	1.171	20	30		FDEDRO
CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1	ZINC000851729936	979019904	/nfs/dbraw/zinc/01/99/04/979019904.db2.gz	SODJWLQRPOWZMY-MRXNPFEDSA-N	1	0	368.374	1.660	20	30		FDEDRO
C#CCOCC[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1	ZINC000851837343	979089690	/nfs/dbraw/zinc/08/96/90/979089690.db2.gz	IYZHDWBJRAHYOC-AWEZNQCLSA-N	1	0	356.422	1.951	20	30		FDEDRO
C#C[C@H]([NH2+]C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)[C@@H]1CCCO1	ZINC000851949371	979215327	/nfs/dbraw/zinc/21/53/27/979215327.db2.gz	DEYHJSQQBXRTLW-PMPSAXMXSA-N	1	0	350.459	1.925	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1	ZINC000128448072	979224391	/nfs/dbraw/zinc/22/43/91/979224391.db2.gz	KYOVSGVNBFAGGT-UHFFFAOYSA-N	1	0	355.398	1.034	20	30		FDEDRO
CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCN(c2ccc(C#N)nc2)CC1	ZINC000851998689	979258253	/nfs/dbraw/zinc/25/82/53/979258253.db2.gz	AVRLMPYZAOIPDV-MRXNPFEDSA-N	1	0	368.374	1.660	20	30		FDEDRO
CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000852075256	979330270	/nfs/dbraw/zinc/33/02/70/979330270.db2.gz	JOCJGQMXBRBNHL-GOEBONIOSA-N	1	0	369.358	1.991	20	30		FDEDRO
C#C[C@@](C)(CC)[NH2+]CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1	ZINC000852100884	979350938	/nfs/dbraw/zinc/35/09/38/979350938.db2.gz	BKPJZMFPWWRFNM-NRFANRHFSA-N	1	0	355.482	1.657	20	30		FDEDRO
N#Cc1cc(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(F)cc1F	ZINC000880710629	979403514	/nfs/dbraw/zinc/40/35/14/979403514.db2.gz	RXBWUONXFWTEHT-CYBMUJFWSA-N	1	0	350.369	1.899	20	30		FDEDRO
N#Cc1cccc([C@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)C(F)(F)F)c1	ZINC000880924568	979528440	/nfs/dbraw/zinc/52/84/40/979528440.db2.gz	FYFPAZZKJRMZFU-KGLIPLIRSA-N	1	0	356.348	1.527	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@H]2CCCC[N@@H+]2CC)C1	ZINC000968043008	1014603255	/nfs/dbraw/zinc/60/32/55/1014603255.db2.gz	ACGHAGCRFGBEKZ-KURKYZTESA-N	1	0	363.502	1.511	20	30		FDEDRO
C=CCCn1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)nn1	ZINC000881853471	980217259	/nfs/dbraw/zinc/21/72/59/980217259.db2.gz	XNPSXFLMFFPJHF-UHFFFAOYSA-N	1	0	354.458	1.536	20	30		FDEDRO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@@H]1CCc2cc(C#N)ccc21	ZINC000888912735	980689685	/nfs/dbraw/zinc/68/96/85/980689685.db2.gz	KKEVNMVJSKEEQY-SUMWQHHRSA-N	1	0	355.442	1.307	20	30		FDEDRO
N#Cc1cccc(Oc2ccnc(N3C[C@@H]4CCC[N@H+]4C[C@@H]3CO)n2)c1	ZINC000882718408	981621776	/nfs/dbraw/zinc/62/17/76/981621776.db2.gz	FFBPSIXYUDFSRR-JKSUJKDBSA-N	1	0	351.410	1.786	20	30		FDEDRO
CCOc1cc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)c(F)cc1OC	ZINC000858137303	981854277	/nfs/dbraw/zinc/85/42/77/981854277.db2.gz	LSPRIDGVRFZGEN-ZCXUNETKSA-N	1	0	363.389	1.849	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)CC1	ZINC000883046237	981910339	/nfs/dbraw/zinc/91/03/39/981910339.db2.gz	CKHTXYLYAGUEQY-SJORKVTESA-N	1	0	368.399	1.982	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1	ZINC000858210888	981917330	/nfs/dbraw/zinc/91/73/30/981917330.db2.gz	ZYPCQRXRFMISDK-GOSISDBHSA-N	1	0	359.470	1.999	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)cc1	ZINC000858222416	981924693	/nfs/dbraw/zinc/92/46/93/981924693.db2.gz	PNHUWGRXSCXOPF-OXJNMPFZSA-N	1	0	359.470	1.683	20	30		FDEDRO
C#CC[C@H](CO)[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC	ZINC000883125182	981965508	/nfs/dbraw/zinc/96/55/08/981965508.db2.gz	BEBLLTQYLKZKJK-BXUZGUMPSA-N	1	0	369.259	1.436	20	30		FDEDRO
C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000883388698	982108120	/nfs/dbraw/zinc/10/81/20/982108120.db2.gz	ARBDBBUKHJFPQJ-DOTOQJQBSA-N	1	0	368.499	1.685	20	30		FDEDRO
C=C(C)C[C@H](CO)[NH2+][C@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000883390230	982108132	/nfs/dbraw/zinc/10/81/32/982108132.db2.gz	IIGSKXZERRPVJF-NVXWUHKLSA-N	1	0	368.499	1.685	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1	ZINC000883533502	982250727	/nfs/dbraw/zinc/25/07/27/982250727.db2.gz	PSMQBGWCDIDQBY-QZTJIDSGSA-N	1	0	363.502	1.314	20	30		FDEDRO
COc1ccc([C@@H]2C[NH2+]CCN2C(=O)Nc2ccn(CCC#N)n2)cc1	ZINC000883541461	982256038	/nfs/dbraw/zinc/25/60/38/982256038.db2.gz	IHQWOMGYMARCAA-INIZCTEOSA-N	1	0	354.414	1.984	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC1	ZINC000883568139	982272473	/nfs/dbraw/zinc/27/24/73/982272473.db2.gz	UMIAAGGEPJNBSR-UHFFFAOYSA-N	1	0	360.458	1.082	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1	ZINC000883609057	982306333	/nfs/dbraw/zinc/30/63/33/982306333.db2.gz	NBFZLHDLMQLPGN-LSDHHAIUSA-N	1	0	355.442	1.324	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)cc1	ZINC000883623247	982319729	/nfs/dbraw/zinc/31/97/29/982319729.db2.gz	ONYMOBQHCBOPAX-UHFFFAOYSA-N	1	0	370.434	1.137	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)NCc3ccc(C#N)cn3)cc2)CC1	ZINC000883634255	982330132	/nfs/dbraw/zinc/33/01/32/982330132.db2.gz	QSFLAZBKKYSSFD-UHFFFAOYSA-N	1	0	364.453	1.704	20	30		FDEDRO
C#Cc1ccc(CNC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)cc1	ZINC000883671671	982366894	/nfs/dbraw/zinc/36/68/94/982366894.db2.gz	OAZIZGHXSQMJFP-FQEVSTJZSA-N	1	0	370.497	1.264	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1)c1ccccc1	ZINC000883704130	982398146	/nfs/dbraw/zinc/39/81/46/982398146.db2.gz	CUYXSWUNAQIKHJ-GOSISDBHSA-N	1	0	368.481	1.876	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1	ZINC000859024361	982464127	/nfs/dbraw/zinc/46/41/27/982464127.db2.gz	FBUDZXBUJCTNRQ-GOSISDBHSA-N	1	0	364.534	1.664	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]C[C@H](O)Cc2ccccc2)CC1	ZINC001202559763	982556371	/nfs/dbraw/zinc/55/63/71/982556371.db2.gz	MQRFMZXUXCUUFB-AQNXPRMDSA-N	1	0	358.482	1.762	20	30		FDEDRO
C[N@H+](CCCNC(=O)OC(C)(C)C)C[C@@H](O)CC1(C#N)CCOCC1	ZINC000859146757	982574882	/nfs/dbraw/zinc/57/48/82/982574882.db2.gz	YNZSGZYIGOOKRH-HNNXBMFYSA-N	1	0	355.479	1.904	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(OC[C@H]2CCCO2)CC1	ZINC000859158549	982584396	/nfs/dbraw/zinc/58/43/96/982584396.db2.gz	GFTPNVFOAFKASN-IEBWSBKVSA-N	1	0	360.454	1.958	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NCc2ccc(N3CCCC3=O)cc2)C1	ZINC000884016594	982702499	/nfs/dbraw/zinc/70/24/99/982702499.db2.gz	ZVZBZEKRZFKVMH-KRWDZBQOSA-N	1	0	354.454	1.710	20	30		FDEDRO
N#Cc1c2ccccc2[nH]c1C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000884017410	982703106	/nfs/dbraw/zinc/70/31/06/982703106.db2.gz	WHCTZFAHQWZTNZ-CQSZACIVSA-N	1	0	365.437	1.324	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2	ZINC001110771259	982722960	/nfs/dbraw/zinc/72/29/60/982722960.db2.gz	NTQJTDXDOKJDIF-NZPGVSJUSA-N	1	0	367.453	1.360	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NCc2ccc(CN3CCCC3=O)cc2)C1	ZINC000884067733	982814783	/nfs/dbraw/zinc/81/47/83/982814783.db2.gz	QERGJTIFKPOWBF-IBGZPJMESA-N	1	0	368.481	1.706	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1cccc(N3CCOC3=O)c1)C2	ZINC000884089333	982849287	/nfs/dbraw/zinc/84/92/87/982849287.db2.gz	MTORWSGATMJMTC-HVEKOLDVSA-N	1	0	354.410	1.399	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1cccc(C(=O)NC3CC3)c1)C2	ZINC000884094113	982857756	/nfs/dbraw/zinc/85/77/56/982857756.db2.gz	BPFPTCHGLYOCKS-LFDOHDQPSA-N	1	0	352.438	1.334	20	30		FDEDRO
N#CCC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1	ZINC000331448513	982876865	/nfs/dbraw/zinc/87/68/65/982876865.db2.gz	LZLHXMWJRFRINM-SFHVURJKSA-N	1	0	354.454	1.483	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1	ZINC000859524549	982895048	/nfs/dbraw/zinc/89/50/48/982895048.db2.gz	AETLDTXZJMQUHA-CVEARBPZSA-N	1	0	365.474	1.273	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1	ZINC000133765309	982905517	/nfs/dbraw/zinc/90/55/17/982905517.db2.gz	LKYYTKJCJGVYPN-QGZVFWFLSA-N	1	0	356.470	1.884	20	30		FDEDRO
N#Cc1cccc(NC(=O)C2CC[NH+](CCC(=O)N3CCOCC3)CC2)c1	ZINC000331588193	982910911	/nfs/dbraw/zinc/91/09/11/982910911.db2.gz	KJIYOLKVGUGKOY-UHFFFAOYSA-N	1	0	370.453	1.458	20	30		FDEDRO
COCCN(Cc1ccc2c(c1)OCO2)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884134558	982917211	/nfs/dbraw/zinc/91/72/11/982917211.db2.gz	KKQIZLFJRNJSHD-NGEICVOHSA-N	1	0	371.437	1.530	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1	ZINC000884161358	982937376	/nfs/dbraw/zinc/93/73/76/982937376.db2.gz	DOLLNNNHXBSZOV-UHFFFAOYSA-N	1	0	351.491	1.744	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCc2ccccc21)N1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000133871607	982940790	/nfs/dbraw/zinc/94/07/90/982940790.db2.gz	KGGPHNKJWYLHAD-HKUYNNGSSA-N	1	0	370.497	1.615	20	30		FDEDRO
COc1ccccc1N1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1	ZINC000884175307	982947699	/nfs/dbraw/zinc/94/76/99/982947699.db2.gz	OZEDINNOOLZLLX-LFDOHDQPSA-N	1	0	354.454	1.483	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCNc1ccc(C(F)(F)F)cn1)C2	ZINC000884184973	982960299	/nfs/dbraw/zinc/96/02/99/982960299.db2.gz	GPCMKIXEZOUSQS-RYCVTPFZSA-N	1	0	367.375	1.768	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1	ZINC000884185854	982961372	/nfs/dbraw/zinc/96/13/72/982961372.db2.gz	JQWCLTSZXIPTFC-IBGZPJMESA-N	1	0	373.497	1.981	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1	ZINC000884186187	982962050	/nfs/dbraw/zinc/96/20/50/982962050.db2.gz	SCYSGZVSDTUYBF-SFHVURJKSA-N	1	0	359.470	1.476	20	30		FDEDRO
CCc1cnc(N2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CC2)s1	ZINC000884221415	982995524	/nfs/dbraw/zinc/99/55/24/982995524.db2.gz	RNDMHAQRCVRPTI-FVRSWCFKSA-N	1	0	359.499	1.493	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1	ZINC000884226113	982999408	/nfs/dbraw/zinc/99/94/08/982999408.db2.gz	KZOGXWOXBIRPDG-ZQIUZPCESA-N	1	0	365.499	1.694	20	30		FDEDRO
COc1ccccc1[C@H]1CNCCN1C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884278948	983049645	/nfs/dbraw/zinc/04/96/45/983049645.db2.gz	XMVIPVFBZXMJRC-KLRDNXEFSA-N	1	0	354.454	1.307	20	30		FDEDRO
COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884307887	983071956	/nfs/dbraw/zinc/07/19/56/983071956.db2.gz	XWFCOURTHOLZNP-MUZJZNNISA-N	1	0	353.422	1.252	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NCc2ccncc2OC[C@H]2CCOC2)C1	ZINC000884352604	983109416	/nfs/dbraw/zinc/10/94/16/983109416.db2.gz	LJSTUAWXRXQNRA-FUHWJXTLSA-N	1	0	372.469	1.394	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)CC1	ZINC000134789690	983177282	/nfs/dbraw/zinc/17/72/82/983177282.db2.gz	DYOXUHNGFCZCKV-UXHICEINSA-N	1	0	373.472	1.491	20	30		FDEDRO
N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)OCC[NH+]3CCC3)C2=O)cc1	ZINC000861388522	983710754	/nfs/dbraw/zinc/71/07/54/983710754.db2.gz	WJAQOSGPDGYXTK-HNNXBMFYSA-N	1	0	356.382	1.012	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)OCc1ccccc1)C2	ZINC001110801216	983739133	/nfs/dbraw/zinc/73/91/33/983739133.db2.gz	WFDWOCFUVZGZJN-NBYUQASBSA-N	1	0	356.466	1.963	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3[nH]ccc3n1)C2	ZINC001110803154	983785046	/nfs/dbraw/zinc/78/50/46/983785046.db2.gz	GSEHFXVIIYVTRJ-DECQCQTCSA-N	1	0	367.453	1.589	20	30		FDEDRO
COC(=O)COc1ccc(CN2CCN(c3ccc(C#N)nc3)CC2)cc1	ZINC000862422309	984384336	/nfs/dbraw/zinc/38/43/36/984384336.db2.gz	XBRKTUJISKXTQE-UHFFFAOYSA-N	1	0	366.421	1.827	20	30		FDEDRO
CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1	ZINC000862551475	984410192	/nfs/dbraw/zinc/41/01/92/984410192.db2.gz	NDVADBSLIYUPSW-ZBFHGGJFSA-N	1	0	351.472	1.739	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1C	ZINC000653334872	1015035212	/nfs/dbraw/zinc/03/52/12/1015035212.db2.gz	IVDDQOACPGPIII-GVDBMIGSSA-N	1	0	358.486	1.982	20	30		FDEDRO
CCCC[C@H](ON=C(C)C)C(=O)NC[C@@]1(CO)COCC2(CCC2)N1C	ZINC000862641526	984453763	/nfs/dbraw/zinc/45/37/63/984453763.db2.gz	BOZYNUOOYWPDIS-QFBILLFUSA-N	1	0	369.506	1.690	20	30		FDEDRO
C=CCCC[C@H](NC(=O)C(=O)NCCN1CC[NH2+]CC1)c1ccccc1	ZINC000884677966	984679431	/nfs/dbraw/zinc/67/94/31/984679431.db2.gz	KLUGESUSXPOVKU-SFHVURJKSA-N	1	0	358.486	1.222	20	30		FDEDRO
CCC1([NH+]2CCC2)CCN(c2ccc(C#N)cc2CS(N)(=O)=O)CC1	ZINC000884716913	984720218	/nfs/dbraw/zinc/72/02/18/984720218.db2.gz	MQOAFFSITSGGSC-UHFFFAOYSA-N	1	0	362.499	1.801	20	30		FDEDRO
COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1	ZINC000869191726	984935512	/nfs/dbraw/zinc/93/55/12/984935512.db2.gz	FLWFRCCUPAPXJK-GOSISDBHSA-N	1	0	356.470	1.778	20	30		FDEDRO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1	ZINC000869782535	985339778	/nfs/dbraw/zinc/33/97/78/985339778.db2.gz	PMSVPTYNWPZXLU-FUHWJXTLSA-N	1	0	359.470	1.923	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1	ZINC000869784483	985342758	/nfs/dbraw/zinc/34/27/58/985342758.db2.gz	WOPHOXXPJMJIFM-INIZCTEOSA-N	1	0	361.490	1.308	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)Cn1ccc(Br)cc1=O	ZINC000870194763	985789647	/nfs/dbraw/zinc/78/96/47/985789647.db2.gz	SFHAXKXAEKAKDV-CYBMUJFWSA-N	1	0	353.216	1.252	20	30		FDEDRO
Cn1cc(C(=O)NCC2CC[NH+](C[C@@H](O)CC3(C#N)CCC3)CC2)cn1	ZINC000886017270	985833575	/nfs/dbraw/zinc/83/35/75/985833575.db2.gz	WJGKZZAVRXHBGQ-KRWDZBQOSA-N	1	0	359.474	1.307	20	30		FDEDRO
C[C@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCC2)CCN1C[C@@H](O)CC1(C#N)CCC1	ZINC000886066775	985858881	/nfs/dbraw/zinc/85/88/81/985858881.db2.gz	CPQXUXOOKKFUMI-FHWLQOOXSA-N	1	0	374.529	1.882	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)CC1	ZINC000870363906	985942327	/nfs/dbraw/zinc/94/23/27/985942327.db2.gz	YFEFYWMBXPCRMK-NVXWUHKLSA-N	1	0	363.502	1.951	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@H+](CCN2CCOCC2)[C@@H]2CCSC2)CCC1	ZINC000886274188	986016805	/nfs/dbraw/zinc/01/68/05/986016805.db2.gz	NYXBSWOYEKQHJO-IAGOWNOFSA-N	1	0	353.532	1.571	20	30		FDEDRO
CC(C)[C@H](C[NH+](C)C)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000870567803	986126054	/nfs/dbraw/zinc/12/60/54/986126054.db2.gz	COPPTTUHVVVIJF-BBRMVZONSA-N	1	0	367.471	1.354	20	30		FDEDRO
C#CCN(C(=O)c1cccn(CC(F)(F)F)c1=O)C1CC[NH+](C)CC1	ZINC000886571212	986370304	/nfs/dbraw/zinc/37/03/04/986370304.db2.gz	MWXYNADRGODUQQ-UHFFFAOYSA-N	1	0	355.360	1.580	20	30		FDEDRO
C#CCN(C(=O)c1coc2c1C(=O)NCC(C)(C)C2)C1CC[NH+](C)CC1	ZINC000886572593	986371972	/nfs/dbraw/zinc/37/19/72/986371972.db2.gz	SASOGIHOQVBTQI-UHFFFAOYSA-N	1	0	357.454	1.761	20	30		FDEDRO
C#CCN(C(=O)c1ccc(S(=O)(=O)C2CC2)cc1)C1CC[NH+](C)CC1	ZINC000886574485	986374346	/nfs/dbraw/zinc/37/43/46/986374346.db2.gz	ICDDUEBTQFLMQS-UHFFFAOYSA-N	1	0	360.479	1.792	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CCCN(c2ccccc2)C1=O)C1CC[NH+](C)CC1	ZINC000886575645	986375982	/nfs/dbraw/zinc/37/59/82/986375982.db2.gz	CYEZNBMHKWGUMF-IBGZPJMESA-N	1	0	353.466	1.986	20	30		FDEDRO
C#CCN(C(=O)[C@]1(c2ccccc2)CCC(=O)NC1)C1CC[NH+](C)CC1	ZINC000886575853	986376209	/nfs/dbraw/zinc/37/62/09/986376209.db2.gz	NBJJSOZRSMNPKG-OAQYLSRUSA-N	1	0	353.466	1.390	20	30		FDEDRO
C#CCN(C(=O)[C@H]1CCCN(c2ccccc2)C1=O)C1CC[NH+](C)CC1	ZINC000886575646	986376387	/nfs/dbraw/zinc/37/63/87/986376387.db2.gz	CYEZNBMHKWGUMF-LJQANCHMSA-N	1	0	353.466	1.986	20	30		FDEDRO
C#CCN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C1CC[NH+](C)CC1	ZINC000886577295	986377227	/nfs/dbraw/zinc/37/72/27/986377227.db2.gz	CRENTYMOLJGBQU-MRXNPFEDSA-N	1	0	365.474	1.178	20	30		FDEDRO
C#CCN(C(=O)c1cn(-c2cc(C)cc(F)c2)nn1)C1CC[NH+](C)CC1	ZINC000886577366	986377524	/nfs/dbraw/zinc/37/75/24/986377524.db2.gz	GBEYVEGYIKGIQE-UHFFFAOYSA-N	1	0	355.417	1.884	20	30		FDEDRO
C#CCN(C(=O)COC1CN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1	ZINC000886581028	986384426	/nfs/dbraw/zinc/38/44/26/986384426.db2.gz	HBJZJNSZZPZTPV-UHFFFAOYSA-N	1	0	365.474	1.178	20	30		FDEDRO
C#CCN(C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)C1CC[NH+](C)CC1	ZINC000886585377	986390728	/nfs/dbraw/zinc/39/07/28/986390728.db2.gz	UCKQHZGXIVXNLE-IBGZPJMESA-N	1	0	369.465	1.974	20	30		FDEDRO
C#CCN(C(=O)C1CCN(C(=O)c2ccoc2)CC1)C1CC[NH+](C)CC1	ZINC000886585468	986390834	/nfs/dbraw/zinc/39/08/34/986390834.db2.gz	XKCPUJCOQDHPJL-UHFFFAOYSA-N	1	0	357.454	1.688	20	30		FDEDRO
C#CCN(C(=O)CCCN1C(=O)c2ccccc2C1=O)C1CC[NH+](C)CC1	ZINC000886588977	986395808	/nfs/dbraw/zinc/39/58/08/986395808.db2.gz	FNFKHWUTURFBBB-UHFFFAOYSA-N	1	0	367.449	1.619	20	30		FDEDRO
C#CCN(C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)C1CC[NH+](C)CC1	ZINC000886589205	986397538	/nfs/dbraw/zinc/39/75/38/986397538.db2.gz	NATRHOLORCLRDJ-UHFFFAOYSA-N	1	0	372.425	1.189	20	30		FDEDRO
C=CCC1(O)CC[NH+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1	ZINC000886764187	986566806	/nfs/dbraw/zinc/56/68/06/986566806.db2.gz	NCOLQSGVPLUJFF-INIZCTEOSA-N	1	0	359.426	1.267	20	30		FDEDRO
COC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCCOC1	ZINC000886907517	986725929	/nfs/dbraw/zinc/72/59/29/986725929.db2.gz	DLSGZFWMCPJXFG-NVXWUHKLSA-N	1	0	352.456	1.363	20	30		FDEDRO
COC(=O)CCN(CC#N)C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1	ZINC000871341646	986910709	/nfs/dbraw/zinc/91/07/09/986910709.db2.gz	SWHBLJBFPTUBEG-UHFFFAOYSA-N	1	0	373.453	1.420	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1	ZINC000872192179	987497721	/nfs/dbraw/zinc/49/77/21/987497721.db2.gz	RYPJFGFDCJVTIK-WMZOPIPTSA-N	1	0	365.518	1.794	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@H]2CC3(CO2)CCOCC3)c1	ZINC000872230515	987530367	/nfs/dbraw/zinc/53/03/67/987530367.db2.gz	DBXDFYLIJWALEZ-MRXNPFEDSA-N	1	0	364.467	1.507	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CC3(CO2)CCOCC3)cc1	ZINC000872232367	987531247	/nfs/dbraw/zinc/53/12/47/987531247.db2.gz	YOLGYAQCAAMMEJ-INIZCTEOSA-N	1	0	364.467	1.507	20	30		FDEDRO
Cn1ncc(I)c1C[NH2+]C[C@H](O)CC1(C#N)CC1	ZINC000872241568	987537622	/nfs/dbraw/zinc/53/76/22/987537622.db2.gz	FZPXLGWBHMFSTB-SECBINFHSA-N	1	0	360.199	1.169	20	30		FDEDRO
C#C[C@H]1CC[C@H]([NH2+]C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CC1	ZINC000872250838	987542357	/nfs/dbraw/zinc/54/23/57/987542357.db2.gz	LGROGGKOOBGGPZ-ZJOUEHCJSA-N	1	0	371.525	1.960	20	30		FDEDRO
CC(C)(C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccc(C#N)cc1	ZINC000872302393	987584782	/nfs/dbraw/zinc/58/47/82/987584782.db2.gz	XXXXDOSKHRTOCQ-ZACQAIPSSA-N	1	0	368.437	1.229	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2c(C)cccc2C#N)CC1	ZINC000872475485	987699605	/nfs/dbraw/zinc/69/96/05/987699605.db2.gz	OHSCCTJFUBLUSZ-HNNXBMFYSA-N	1	0	350.488	1.171	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)N1CCc2ccccc2C1	ZINC000292962918	987945935	/nfs/dbraw/zinc/94/59/35/987945935.db2.gz	GBFZABDEXYJPAE-CQSZACIVSA-N	1	0	363.421	1.455	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccccc1-n1nccc1C	ZINC000293279081	988014269	/nfs/dbraw/zinc/01/42/69/988014269.db2.gz	GCUOBOCVFZZPCN-UHFFFAOYSA-N	1	0	353.426	1.191	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(-c2nccn2C)c1	ZINC000293367129	988051616	/nfs/dbraw/zinc/05/16/16/988051616.db2.gz	LYAJAZWCLXNIMN-UHFFFAOYSA-N	1	0	353.426	1.097	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C	ZINC000293483361	988087451	/nfs/dbraw/zinc/08/74/51/988087451.db2.gz	VTNXBQBXBGAPIV-UHFFFAOYSA-N	1	0	367.453	1.461	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1	ZINC000299151177	988170342	/nfs/dbraw/zinc/17/03/42/988170342.db2.gz	NCHSCAGKMOWNNB-SFHVURJKSA-N	1	0	354.454	1.625	20	30		FDEDRO
COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2cccc(C#N)c2)C1	ZINC000299163803	988186034	/nfs/dbraw/zinc/18/60/34/988186034.db2.gz	MVPISNMVOJIXJO-ZBFHGGJFSA-N	1	0	358.442	1.360	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)CC1	ZINC000299173739	988198151	/nfs/dbraw/zinc/19/81/51/988198151.db2.gz	ZJGQDWRZRFGIQH-HOTGVXAUSA-N	1	0	356.470	1.979	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)CC2)C1	ZINC000361247255	988310322	/nfs/dbraw/zinc/31/03/22/988310322.db2.gz	WTRCFCBYFZLBRG-SFHVURJKSA-N	1	0	370.497	1.954	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)C[C@@H](C)O1	ZINC000361299167	988329070	/nfs/dbraw/zinc/32/90/70/988329070.db2.gz	OPXRIKYNOGFASB-QINHECLXSA-N	1	0	371.481	1.939	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000872981298	988373394	/nfs/dbraw/zinc/37/33/94/988373394.db2.gz	XUZNYZBFSWDXCJ-UHFFFAOYSA-N	1	0	364.534	1.333	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N1CCC(C)([NH+]2CCCCC2)CC1	ZINC000872998329	988392328	/nfs/dbraw/zinc/39/23/28/988392328.db2.gz	QBLSJOSXLTZOAB-UHFFFAOYSA-N	1	0	351.491	1.562	20	30		FDEDRO
COc1cc(/C=C/C(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)ccc1OCC#N	ZINC000294537494	988456254	/nfs/dbraw/zinc/45/62/54/988456254.db2.gz	GJYRPVQCROUJFB-NDOICKTLSA-N	1	0	373.453	1.524	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)[C@@]2(C#N)CC23CCCC3)CC1	ZINC000294680114	988528542	/nfs/dbraw/zinc/52/85/42/988528542.db2.gz	JTEFDHAOPNUBDQ-FQEVSTJZSA-N	1	0	353.470	1.924	20	30		FDEDRO
CCc1ccc([C@@H](C#N)NC(=O)c2cnn(CCN3CCOCC3)c2)cc1	ZINC000366220391	988552627	/nfs/dbraw/zinc/55/26/27/988552627.db2.gz	UEHQKJZPKGGFFY-LJQANCHMSA-N	1	0	367.453	1.772	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000362066313	988573251	/nfs/dbraw/zinc/57/32/51/988573251.db2.gz	MYDWVVOKFRFQNO-FUHIMQAGSA-N	1	0	370.497	1.810	20	30		FDEDRO
N#Cc1ncn(C2CCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)n1	ZINC000366253524	988574245	/nfs/dbraw/zinc/57/42/45/988574245.db2.gz	OUJFQPWTMFEVMY-OAHLLOKOSA-N	1	0	356.474	1.968	20	30		FDEDRO
C=CCCOCCNC(=O)N(C)C1CC[NH+](CC(=O)N2CCCC2)CC1	ZINC000366925681	988847765	/nfs/dbraw/zinc/84/77/65/988847765.db2.gz	WXOGQGGVXQHRIH-UHFFFAOYSA-N	1	0	366.506	1.307	20	30		FDEDRO
C=CCCn1cc(C[N@H+]2C[C@@H](c3cnn(C)c3)C3(C2)CCOCC3)nn1	ZINC000653731966	1015430145	/nfs/dbraw/zinc/43/01/45/1015430145.db2.gz	PLJQUSJWMCWZIB-SFHVURJKSA-N	1	0	356.474	1.984	20	30		FDEDRO
C=CCN(CC(=O)N[C@@H](C)C(=O)N(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000363185066	988977214	/nfs/dbraw/zinc/97/72/14/988977214.db2.gz	OPMRJKGHQJBDFQ-PKOBYXMFSA-N	1	0	372.513	1.342	20	30		FDEDRO
C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](Cc2nnc3ccccn32)C1)C1CC1	ZINC000368775836	989008109	/nfs/dbraw/zinc/00/81/09/989008109.db2.gz	USTYUAFKCWWOSV-MGPUTAFESA-N	1	0	366.469	1.792	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(CC(=O)N2CCOCC2)CC1	ZINC000368802289	989009084	/nfs/dbraw/zinc/00/90/84/989009084.db2.gz	LHPZWBHKSTXUCQ-QGZVFWFLSA-N	1	0	365.518	1.760	20	30		FDEDRO
C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(F)c1	ZINC000873715529	989047543	/nfs/dbraw/zinc/04/75/43/989047543.db2.gz	HRPAEAOIQXVXHJ-CQSZACIVSA-N	1	0	362.449	1.987	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)Nc2ncccc2C)C1	ZINC000363299802	989072046	/nfs/dbraw/zinc/07/20/46/989072046.db2.gz	TXNYDNOPDDWRIL-CABCVRRESA-N	1	0	373.457	1.441	20	30		FDEDRO
CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OC)c(C#N)c2)C1	ZINC000873739079	989095803	/nfs/dbraw/zinc/09/58/03/989095803.db2.gz	ZANRDMQPAZGIFI-AWEZNQCLSA-N	1	0	358.442	1.696	20	30		FDEDRO
COC(=O)CN1CCCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1	ZINC000363331634	989099256	/nfs/dbraw/zinc/09/92/56/989099256.db2.gz	OYBQQXHDHLVXFT-QGZVFWFLSA-N	1	0	372.469	1.502	20	30		FDEDRO
N#Cc1ccc(N2CCC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1	ZINC000369784084	989173479	/nfs/dbraw/zinc/17/34/79/989173479.db2.gz	ZCDAPRDTERXXMG-SFHVURJKSA-N	1	0	370.413	1.236	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000363454441	989213242	/nfs/dbraw/zinc/21/32/42/989213242.db2.gz	NWNDFXBXXKGAFF-WMLDXEAASA-N	1	0	370.453	1.266	20	30		FDEDRO
CN(C)c1cc[nH+]cc1C(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000369895954	989282504	/nfs/dbraw/zinc/28/25/04/989282504.db2.gz	BAUPNGGQRBUTAY-RBZFPXEDSA-N	1	0	361.405	1.633	20	30		FDEDRO
Cc1cc(CN2CCC([N@H+](C)CC(=O)N[C@](C)(C#N)C3CC3)CC2)on1	ZINC000369905392	989289515	/nfs/dbraw/zinc/28/95/15/989289515.db2.gz	ZNWZAUYBYCOLII-LJQANCHMSA-N	1	0	359.474	1.688	20	30		FDEDRO
N#Cc1cccnc1-n1cc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1	ZINC000369933087	989319160	/nfs/dbraw/zinc/31/91/60/989319160.db2.gz	MFEMODLZQOBJQE-HOCLYGCPSA-N	1	0	351.414	1.887	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1	ZINC000296613148	989327810	/nfs/dbraw/zinc/32/78/10/989327810.db2.gz	LZTYLVZVQPHSMW-QGZVFWFLSA-N	1	0	357.458	1.547	20	30		FDEDRO
CON=C(C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1csc(N)n1	ZINC000873875847	989371592	/nfs/dbraw/zinc/37/15/92/989371592.db2.gz	KIUNSAOPTRAOPA-UHFFFAOYSA-N	1	0	373.482	1.810	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1	ZINC000296974592	989455201	/nfs/dbraw/zinc/45/52/01/989455201.db2.gz	ITDKWDLPPSCRLW-WOJBJXKFSA-N	1	0	371.481	1.876	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)cc1C#N	ZINC000873943890	989503029	/nfs/dbraw/zinc/50/30/29/989503029.db2.gz	NUUHZEQNJXSMEW-CQSZACIVSA-N	1	0	358.442	1.742	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c(OC)c1	ZINC000370223929	989562383	/nfs/dbraw/zinc/56/23/83/989562383.db2.gz	WSQRBKMZDMEVCS-CLWJZODNSA-N	1	0	374.481	1.749	20	30		FDEDRO
N#Cc1cccc(CNC(=O)CN2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)c1	ZINC000370354544	989682719	/nfs/dbraw/zinc/68/27/19/989682719.db2.gz	DRWRNVNAAPYVRB-RBUKOAKNSA-N	1	0	356.470	1.096	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)n2)c(F)c1	ZINC000364689883	989719021	/nfs/dbraw/zinc/71/90/21/989719021.db2.gz	ZDCCGABUPOQCIZ-OAHLLOKOSA-N	1	0	366.400	2.361	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000874178416	989898280	/nfs/dbraw/zinc/89/82/80/989898280.db2.gz	PVDCCDNWRNCQDC-UHFFFAOYSA-N	1	0	369.469	1.044	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1	ZINC000370636082	989912379	/nfs/dbraw/zinc/91/23/79/989912379.db2.gz	FJLVIDDNIJCQHX-INIZCTEOSA-N	1	0	365.474	1.226	20	30		FDEDRO
N#Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CC[C@@H](C4CCOCC4)C3)C2=O)cc1	ZINC000365035895	989975271	/nfs/dbraw/zinc/97/52/71/989975271.db2.gz	KGJSHSMZNCOFOU-SJLPKXTDSA-N	1	0	353.422	1.939	20	30		FDEDRO
C[N@H+]1CC=C(CNC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1	ZINC000365086281	990012307	/nfs/dbraw/zinc/01/23/07/990012307.db2.gz	NYNDZFDUEYUBGX-SFHVURJKSA-N	1	0	352.438	1.427	20	30		FDEDRO
CO/N=C/c1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1	ZINC000370831065	990027372	/nfs/dbraw/zinc/02/73/72/990027372.db2.gz	RRUNNFUKTKQTGB-ORTNRGLGSA-N	1	0	358.486	1.907	20	30		FDEDRO
CO/N=C/c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1	ZINC000370831064	990027938	/nfs/dbraw/zinc/02/79/38/990027938.db2.gz	RRUNNFUKTKQTGB-KNGGAZFVSA-N	1	0	358.486	1.907	20	30		FDEDRO
N#Cc1ccccc1N1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1	ZINC000365182272	990087914	/nfs/dbraw/zinc/08/79/14/990087914.db2.gz	HFJLQUKNSFJYMQ-QZTJIDSGSA-N	1	0	369.469	1.253	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21	ZINC000298569127	990163448	/nfs/dbraw/zinc/16/34/48/990163448.db2.gz	HESQLPHAPHDSEH-ZWKOTPCHSA-N	1	0	354.454	1.459	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000874368171	990196192	/nfs/dbraw/zinc/19/61/92/990196192.db2.gz	NYTCPMTWRZATFD-LSDHHAIUSA-N	1	0	360.389	1.362	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1	ZINC000298615384	990198004	/nfs/dbraw/zinc/19/80/04/990198004.db2.gz	IKDJDUGJNOQDBO-LJQANCHMSA-N	1	0	368.481	1.994	20	30		FDEDRO
C[C@H](C#N)CN(C)C(=O)C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000298716174	990237946	/nfs/dbraw/zinc/23/79/46/990237946.db2.gz	ZZHPNMVGCIGWKU-AEFFLSMTSA-N	1	0	356.470	1.727	20	30		FDEDRO
CCOC(=O)[C@@H]1CCCN(C(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)C1	ZINC000298751548	990259278	/nfs/dbraw/zinc/25/92/78/990259278.db2.gz	CHJYUEIDDSBQII-MRXNPFEDSA-N	1	0	355.438	1.939	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]2C[C@H](O)c2cnn(C)c2)CC1	ZINC000371414723	990414672	/nfs/dbraw/zinc/41/46/72/990414672.db2.gz	LGKADQXRKZSUEL-ROUUACIJSA-N	1	0	361.490	1.668	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1	ZINC000371438259	990432062	/nfs/dbraw/zinc/43/20/62/990432062.db2.gz	PBHOLCDVHYUQRT-ZIAGYGMSSA-N	1	0	359.430	1.132	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC2(C[C@H]2C(=O)N(C)C2CC2)CC1	ZINC000371541477	990511990	/nfs/dbraw/zinc/51/19/90/990511990.db2.gz	BNEUCLNEFKSDIA-ZFWWWQNUSA-N	1	0	362.474	1.110	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H](O)c2cc(OC)ccc2OC)CC1	ZINC000874766586	990527126	/nfs/dbraw/zinc/52/71/26/990527126.db2.gz	UHUKXYVSJBBRSZ-LIRRHRJNSA-N	1	0	360.454	1.587	20	30		FDEDRO
N#Cc1ccc(CNC(=O)CN2CCC[C@H]2C(=O)N2CCSCC2)cc1	ZINC000371584759	990547563	/nfs/dbraw/zinc/54/75/63/990547563.db2.gz	BXEOUDUVRSPKGX-KRWDZBQOSA-N	1	0	372.494	1.214	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@H]4[C@H]3CCC[N@H+]4C)cc2C1=O	ZINC000874848499	990578138	/nfs/dbraw/zinc/57/81/38/990578138.db2.gz	SZLGZZVJAGNZAZ-IAGOWNOFSA-N	1	0	353.422	1.777	20	30		FDEDRO
CCCC[C@@H](ON=C(C)C)C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000371870941	990789506	/nfs/dbraw/zinc/78/95/06/990789506.db2.gz	VUOWQISWPISLPK-IAGOWNOFSA-N	1	0	366.506	1.898	20	30		FDEDRO
CCCC[C@H](ON=C(C)C)C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000371870942	990789688	/nfs/dbraw/zinc/78/96/88/990789688.db2.gz	VUOWQISWPISLPK-IRXDYDNUSA-N	1	0	366.506	1.898	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1	ZINC000875122770	990927094	/nfs/dbraw/zinc/92/70/94/990927094.db2.gz	OSQPQGXBJRWNLV-KBAYOESNSA-N	1	0	357.454	1.093	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1	ZINC000875122772	990927141	/nfs/dbraw/zinc/92/71/41/990927141.db2.gz	OSQPQGXBJRWNLV-RYQLBKOJSA-N	1	0	357.454	1.093	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1	ZINC000875129651	990936094	/nfs/dbraw/zinc/93/60/94/990936094.db2.gz	URUZFRWZLAYYCN-IBGZPJMESA-N	1	0	371.481	1.169	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1	ZINC000372249996	990980326	/nfs/dbraw/zinc/98/03/26/990980326.db2.gz	YRDJFYISXPNSBY-HNNXBMFYSA-N	1	0	355.438	1.770	20	30		FDEDRO
C=C[C@@H](CC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1	ZINC000372288933	990997412	/nfs/dbraw/zinc/99/74/12/990997412.db2.gz	VLLKCHGACNZRJQ-AZUAARDMSA-N	1	0	357.498	1.869	20	30		FDEDRO
CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1	ZINC000372289681	990998835	/nfs/dbraw/zinc/99/88/35/990998835.db2.gz	QMAVLYYBPHWRFB-IAGOWNOFSA-N	1	0	359.426	1.929	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H](C[NH+]2CCN(C)CC2)C1	ZINC000372369652	991049334	/nfs/dbraw/zinc/04/93/34/991049334.db2.gz	NJGQCIHADRNXRT-HKUYNNGSSA-N	1	0	369.513	1.845	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CC1	ZINC000372482765	991153426	/nfs/dbraw/zinc/15/34/26/991153426.db2.gz	QDATZNKRKBZAMK-HNNXBMFYSA-N	1	0	362.434	1.788	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2	ZINC000372558411	991212181	/nfs/dbraw/zinc/21/21/81/991212181.db2.gz	SXRNNOYRMGVYHZ-BTTYYORXSA-N	1	0	366.462	1.518	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)N1CCC(C)([NH+]2CCCCC2)CC1)[C@H]1CCCO1	ZINC000875325049	991321507	/nfs/dbraw/zinc/32/15/07/991321507.db2.gz	OLFJBUXGYJNDHA-IAGOWNOFSA-N	1	0	361.486	1.150	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1	ZINC000410431444	991354340	/nfs/dbraw/zinc/35/43/40/991354340.db2.gz	HHQRMWTYJSELST-GOSISDBHSA-N	1	0	372.469	1.086	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000372761142	991490217	/nfs/dbraw/zinc/49/02/17/991490217.db2.gz	YUFYVTRXCWTTTK-SFHVURJKSA-N	1	0	372.469	1.134	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N(CC(C)C)CC1CC[NH+](C)CC1	ZINC000875481042	991617925	/nfs/dbraw/zinc/61/79/25/991617925.db2.gz	VBLZEQLCQNGZOF-UHFFFAOYSA-N	1	0	359.536	1.597	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1	ZINC000875504889	991662728	/nfs/dbraw/zinc/66/27/28/991662728.db2.gz	ILACYZPGOTWPLD-CYBMUJFWSA-N	1	0	358.280	1.534	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CCOC)CC1CC[NH+](C)CC1	ZINC000875555143	991729674	/nfs/dbraw/zinc/72/96/74/991729674.db2.gz	KOCYCSMQRKIXOU-ROUUACIJSA-N	1	0	353.507	1.967	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1	ZINC000875604046	991792738	/nfs/dbraw/zinc/79/27/38/991792738.db2.gz	IDBLCOKSTBPFAC-GOSISDBHSA-N	1	0	371.481	1.264	20	30		FDEDRO
O=C(NCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1N=CC=CC1=O	ZINC000373024949	991799626	/nfs/dbraw/zinc/79/96/26/991799626.db2.gz	DLRQRBPYZLUNSO-KIJUOZEOSA-N	1	0	360.458	1.426	20	30		FDEDRO
CSC[C@](C)(C#N)NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1	ZINC000875714982	991933677	/nfs/dbraw/zinc/93/36/77/991933677.db2.gz	YVSNHPUKGZCLGY-NUJGCVRESA-N	1	0	363.531	1.995	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CCN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)[C@H]2C1	ZINC000373141890	991953069	/nfs/dbraw/zinc/95/30/69/991953069.db2.gz	RVZDXEUYOGALSP-WMZOPIPTSA-N	1	0	368.485	1.658	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)cc1C#N	ZINC000373186745	991988302	/nfs/dbraw/zinc/98/83/02/991988302.db2.gz	QUZZIQDCZSTFTK-RHSMWYFYSA-N	1	0	370.453	1.837	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000875923678	992197602	/nfs/dbraw/zinc/19/76/02/992197602.db2.gz	CZDGMQPZSZQVMP-UYAOXDASSA-N	1	0	359.470	1.303	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)CC2)CC[N@@H+]1C	ZINC000964851319	1015690589	/nfs/dbraw/zinc/69/05/89/1015690589.db2.gz	LIILVOZTEUMQFB-UWWQBHOKSA-N	1	0	371.485	1.728	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC(C#N)CC2)ccc1OCC[NH+](C)C	ZINC000411280613	992312237	/nfs/dbraw/zinc/31/22/37/992312237.db2.gz	FRUIWJQKTURAJF-UHFFFAOYSA-N	1	0	358.442	1.636	20	30		FDEDRO
CN(CC(C)(C)C#N)C(=O)NC1CCN(CC(=O)OC(C)(C)C)CC1	ZINC000876120475	992331585	/nfs/dbraw/zinc/33/15/85/992331585.db2.gz	CNABQPPQPPAKNM-UHFFFAOYSA-N	1	0	352.479	1.984	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN(C(=O)N[C@H]1Cc3ccc(C#N)cc3C1)CCO2	ZINC000876278924	992519362	/nfs/dbraw/zinc/51/93/62/992519362.db2.gz	IUCBCOUXIQUOGQ-SFHVURJKSA-N	1	0	354.454	1.532	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC[C@H]1CCOC1=O	ZINC000876362003	992565874	/nfs/dbraw/zinc/56/58/74/992565874.db2.gz	CJMGDVVGNSZYKH-SFHVURJKSA-N	1	0	372.469	1.975	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000964928727	1015722477	/nfs/dbraw/zinc/72/24/77/1015722477.db2.gz	FLMPVKVOVHBSGV-KSZLIROESA-N	1	0	363.502	1.561	20	30		FDEDRO
N#Cc1c[nH]c2cc(C(=O)N3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)ccc12	ZINC000876511860	992676022	/nfs/dbraw/zinc/67/60/22/992676022.db2.gz	CFQFWZKIIDBNGH-HNNXBMFYSA-N	1	0	365.437	1.324	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)c(OC)c1	ZINC000411936572	992713188	/nfs/dbraw/zinc/71/31/88/992713188.db2.gz	LSOLWDLIGHLFJU-SJORKVTESA-N	1	0	362.470	1.574	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cc(OC)c(OC)cc1C(=O)N(C)C	ZINC000876586144	992722000	/nfs/dbraw/zinc/72/20/00/992722000.db2.gz	AFOPMHTYOOHLRJ-LLVKDONJSA-N	1	0	355.822	1.814	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC[C@@H](N2CCCCC2=O)C1	ZINC000876651796	992772671	/nfs/dbraw/zinc/77/26/71/992772671.db2.gz	ZXPZNRCVHAJNDC-XLIONFOSSA-N	1	0	366.465	1.749	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](CO)Cc1cc(OC)cc(OC)c1	ZINC000876697429	992806705	/nfs/dbraw/zinc/80/67/05/992806705.db2.gz	DMXPNIJJJIDYEN-BBRMVZONSA-N	1	0	356.850	1.441	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1	ZINC000876720898	992833318	/nfs/dbraw/zinc/83/33/18/992833318.db2.gz	KCAMGUQPJCEKCH-GUTXKFCHSA-N	1	0	352.866	1.781	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](c1cccc(C)c1)N1CCOCC1	ZINC000876722444	992834946	/nfs/dbraw/zinc/83/49/46/992834946.db2.gz	UXFBQYCBJHHRDU-IAGOWNOFSA-N	1	0	351.878	1.954	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(C)cc1)N1CCOCC1	ZINC000876733428	992847948	/nfs/dbraw/zinc/84/79/48/992847948.db2.gz	XSMNRVYYDDGPOV-SJORKVTESA-N	1	0	351.878	1.954	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1	ZINC000876753376	992873749	/nfs/dbraw/zinc/87/37/49/992873749.db2.gz	DTXPORCBVYMSJN-ZFWWWQNUSA-N	1	0	356.898	1.048	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNC(=O)[C@H]2NCCc3cc(C#N)ccc32)CC1	ZINC000876758779	992881729	/nfs/dbraw/zinc/88/17/29/992881729.db2.gz	MRWFPLZVQDVAEJ-IBGZPJMESA-N	1	0	370.497	1.751	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CCN(Cc2cc(OC)cc(OC)c2)C1	ZINC000876775722	992900483	/nfs/dbraw/zinc/90/04/83/992900483.db2.gz	DURIYYBHIQEWKG-WMLDXEAASA-N	1	0	367.877	1.864	20	30		FDEDRO
C=CCOc1ccccc1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1	ZINC000412486044	992937258	/nfs/dbraw/zinc/93/72/58/992937258.db2.gz	YIISFAQMCINHLT-UHFFFAOYSA-N	1	0	373.497	1.778	20	30		FDEDRO
N#Cc1ccc(C2(C(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)CCCC2)cc1	ZINC000876853897	992938220	/nfs/dbraw/zinc/93/82/20/992938220.db2.gz	PSXVYTKJEUVBAL-IBGZPJMESA-N	1	0	352.482	1.876	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCN(Cc2cccnc2)CC1	ZINC000876873482	992943902	/nfs/dbraw/zinc/94/39/02/992943902.db2.gz	ICOZCPBRHHBIEK-FQEVSTJZSA-N	1	0	361.449	1.484	20	30		FDEDRO
CCOC(=O)N[C@H]1CCCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876875141	992944720	/nfs/dbraw/zinc/94/47/20/992944720.db2.gz	QFQOVFLUGYRZBR-DOTOQJQBSA-N	1	0	356.426	1.482	20	30		FDEDRO
CC(C)(C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)c1ccc(C#N)cc1	ZINC000876996943	992999351	/nfs/dbraw/zinc/99/93/51/992999351.db2.gz	JAVSIALLDIJGEK-UHFFFAOYSA-N	1	0	369.469	1.005	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O	ZINC000877037885	993025191	/nfs/dbraw/zinc/02/51/91/993025191.db2.gz	YSKXSZIWJADALJ-OAHLLOKOSA-N	1	0	363.820	1.704	20	30		FDEDRO
C=C(Cl)C[C@@H](NC(=O)[C@@H]([NH3+])Cc1cccc(OC)c1)C(=O)OCC	ZINC000877144148	993069116	/nfs/dbraw/zinc/06/91/16/993069116.db2.gz	IDZWVRVZWGFPRM-LSDHHAIUSA-N	1	0	354.834	1.756	20	30		FDEDRO
COC(=O)[C@](C)(Cc1ccc(Cl)cc1)NC(=O)C#CC1CC[NH2+]CC1	ZINC000877205198	993102376	/nfs/dbraw/zinc/10/23/76/993102376.db2.gz	BNKHSWMRBHXIEJ-IBGZPJMESA-N	1	0	362.857	1.933	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CN(Cc2ccccc2C)CCO1	ZINC000877229446	993121853	/nfs/dbraw/zinc/12/18/53/993121853.db2.gz	MONHOXMAHCVHSI-SJORKVTESA-N	1	0	351.878	1.782	20	30		FDEDRO
Cn1cc([C@H]2C[N@H+](Cc3cccc(OCCCC#N)c3)C[C@@H]2C(N)=O)cn1	ZINC000375528367	993214121	/nfs/dbraw/zinc/21/41/21/993214121.db2.gz	LXQPWWQQYQFWDU-MOPGFXCFSA-N	1	0	367.453	1.804	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccn(C)c(=O)c1	ZINC001095534782	993292107	/nfs/dbraw/zinc/29/21/07/993292107.db2.gz	GWTZGEMMABAGJD-SQNIBIBYSA-N	1	0	366.465	1.908	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@H]1CCN(CC)C1=O	ZINC001095537848	993299414	/nfs/dbraw/zinc/29/94/14/993299414.db2.gz	MIPSLXZTVKKWPT-CVYDXHPNSA-N	1	0	356.470	1.630	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccnn1C	ZINC001095538070	993300644	/nfs/dbraw/zinc/30/06/44/993300644.db2.gz	XGVAWJKUXXRWJS-SQNIBIBYSA-N	1	0	353.470	1.985	20	30		FDEDRO
N#Cc1ccc(N2CC[NH+](Cc3ccc(OCC(N)=O)cc3)CC2)cc1	ZINC000877745529	993491695	/nfs/dbraw/zinc/49/16/95/993491695.db2.gz	ZVUWLISULAYEGS-UHFFFAOYSA-N	1	0	350.422	1.745	20	30		FDEDRO
C[NH+]1CCC(NC(=O)CN2CCC(Oc3ccc(C#N)cc3)CC2)CC1	ZINC000878050738	993655914	/nfs/dbraw/zinc/65/59/14/993655914.db2.gz	AEXJNTRZKUNBFV-UHFFFAOYSA-N	1	0	356.470	1.612	20	30		FDEDRO
C[NH+]1CCN(c2ccccc2NC(=O)N2CCN(C(=O)CC#N)CC2)CC1	ZINC000878080887	993689663	/nfs/dbraw/zinc/68/96/63/993689663.db2.gz	VJXKYTLOFVGOIZ-UHFFFAOYSA-N	1	0	370.457	1.028	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC[C@@H](C(N)=O)C1	ZINC000469201219	993790980	/nfs/dbraw/zinc/79/09/80/993790980.db2.gz	SOKBQIGHZGJEPP-QZTJIDSGSA-N	1	0	356.470	1.740	20	30		FDEDRO
Cn1ncc(C(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)c1C#N	ZINC000470016744	993932142	/nfs/dbraw/zinc/93/21/42/993932142.db2.gz	HOXODOPCPLMJBA-IBGZPJMESA-N	1	0	366.469	1.400	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1	ZINC000470807343	994133011	/nfs/dbraw/zinc/13/30/11/994133011.db2.gz	BUFVXWNVOCCEAD-PMPSAXMXSA-N	1	0	374.464	1.272	20	30		FDEDRO
C[NH+](C)CCn1cc(NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)cn1	ZINC000878848056	994284770	/nfs/dbraw/zinc/28/47/70/994284770.db2.gz	FJYIYMUAJFYQHS-UHFFFAOYSA-N	1	0	368.445	1.065	20	30		FDEDRO
C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	ZINC000968916618	1015861725	/nfs/dbraw/zinc/86/17/25/1015861725.db2.gz	FWYQLKQAIRBCDI-KFWWJZLASA-N	1	0	362.392	1.717	20	30		FDEDRO
Cc1cccc(S(=O)(=O)NCCCCCN2CC[NH2+]CC2)c1C#N	ZINC000923681001	994746301	/nfs/dbraw/zinc/74/63/01/994746301.db2.gz	FICOWQFKJVPNLV-UHFFFAOYSA-N	1	0	350.488	1.221	20	30		FDEDRO
N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@@H](CO)[C@H]1CO)CCC2	ZINC000879363228	994833938	/nfs/dbraw/zinc/83/39/38/994833938.db2.gz	QSXMNKWLIFGKJE-SWLSCSKDSA-N	1	0	363.483	1.502	20	30		FDEDRO
COC(=O)C[C@](C)([NH2+]CC#CCN1C(=O)c2ccccc2C1=O)C1CC1	ZINC000879444101	994917544	/nfs/dbraw/zinc/91/75/44/994917544.db2.gz	XPYQZXGPXYPHGV-FQEVSTJZSA-N	1	0	354.406	1.607	20	30		FDEDRO
C#CCNC(=O)CC[N@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@@H](c2cnn(C)c2)C1	ZINC000879606106	995077690	/nfs/dbraw/zinc/07/76/90/995077690.db2.gz	QEWOFDDMKLUMHS-HZPDHXFCSA-N	1	0	374.485	1.307	20	30		FDEDRO
C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1C	ZINC000924985113	995211756	/nfs/dbraw/zinc/21/17/56/995211756.db2.gz	DCPKRPYUBGOMPP-HZPDHXFCSA-N	1	0	356.426	1.232	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCC2(C)CCN(c3cncc(C#N)n3)CC2)CC[N@@H+]1C	ZINC001110898090	995223618	/nfs/dbraw/zinc/22/36/18/995223618.db2.gz	NXPXEZDGDPKJOV-DLBZAZTESA-N	1	0	370.501	1.801	20	30		FDEDRO
Cn1nc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1=O	ZINC000879895063	995361769	/nfs/dbraw/zinc/36/17/69/995361769.db2.gz	YVEZAIXKXUVJHA-UHFFFAOYSA-N	1	0	366.425	1.392	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1	ZINC000879976115	995504710	/nfs/dbraw/zinc/50/47/10/995504710.db2.gz	UKVYIUZLBJYQTR-SQNIBIBYSA-N	1	0	363.502	1.319	20	30		FDEDRO
C#CCN(C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1)C1CCCC1	ZINC000128141868	995551963	/nfs/dbraw/zinc/55/19/63/995551963.db2.gz	AOMUCHAGBHFVPG-UHFFFAOYSA-N	1	0	357.454	1.970	20	30		FDEDRO
CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2C(=O)NCC23CCOCC3)ccc1OC	ZINC000925398641	995558866	/nfs/dbraw/zinc/55/88/66/995558866.db2.gz	ZWBDPUKLLXXQTN-QAPCUYQASA-N	1	0	373.453	1.761	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H](N2CCC[C@H]([NH2+]C3CCOCC3)C2)C1=O	ZINC000880204651	995720331	/nfs/dbraw/zinc/72/03/31/995720331.db2.gz	ZPEHLUGDJGPNIL-IRXDYDNUSA-N	1	0	374.510	1.958	20	30		FDEDRO
C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cn(C)nn1	ZINC000925929066	995835717	/nfs/dbraw/zinc/83/57/17/995835717.db2.gz	IVRYILUHFBSLDR-AWEZNQCLSA-N	1	0	355.446	1.521	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](CC[NH3+])C2)cc1	ZINC000925946623	995849034	/nfs/dbraw/zinc/84/90/34/995849034.db2.gz	MOXSFANFWFCRDG-AWEZNQCLSA-N	1	0	366.487	1.696	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O	ZINC000926144093	995935393	/nfs/dbraw/zinc/93/53/93/995935393.db2.gz	SMWHBVBCONCYNX-WAXPSYRMSA-N	1	0	351.491	1.053	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1	ZINC000926171606	995956322	/nfs/dbraw/zinc/95/63/22/995956322.db2.gz	YSJZUSKLBBAIQC-XCJLJZCSSA-N	1	0	356.466	1.908	20	30		FDEDRO
CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3ncc(C#N)cc3C)C2)[C@H]1C(C)C	ZINC000926244168	995992706	/nfs/dbraw/zinc/99/27/06/995992706.db2.gz	WPPYYTCWJSIDPG-CIWUYKSXSA-N	1	0	356.470	1.861	20	30		FDEDRO
CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3cc(O)cc(C#N)c3)C2)[C@H]1C(C)C	ZINC000926245482	995994135	/nfs/dbraw/zinc/99/41/35/995994135.db2.gz	WIYGBPIAJAQTDX-MLYOOKFZSA-N	1	0	357.454	1.863	20	30		FDEDRO
CCO[C@H](CNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)C[NH+](C)C	ZINC000926837760	996332587	/nfs/dbraw/zinc/33/25/87/996332587.db2.gz	VLLUTJCWHMYYPP-RTBURBONSA-N	1	0	373.501	1.373	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CC[C@H]1[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12	ZINC000887110152	996938665	/nfs/dbraw/zinc/93/86/65/996938665.db2.gz	DJXIGQUYBRJFOA-CADBVGFASA-N	1	0	352.434	1.532	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)Nc2ccccc2C(=O)NC2CC2)CCOCC1	ZINC000887123678	996954585	/nfs/dbraw/zinc/95/45/85/996954585.db2.gz	ZYZUQKPPXSIQID-UHFFFAOYSA-N	1	0	355.438	1.679	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N(CC)C[C@@H]2COc3ccccc3O2)CCOCC1	ZINC000887125852	996955265	/nfs/dbraw/zinc/95/52/65/996955265.db2.gz	MFXXNYFVQQUMHR-QGZVFWFLSA-N	1	0	372.465	1.837	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N2CCN(c3cccc(C)c3)CC2)CCOCC1	ZINC000887124586	996955351	/nfs/dbraw/zinc/95/53/51/996955351.db2.gz	KNDNEUBUUOGDLI-UHFFFAOYSA-N	1	0	355.482	1.806	20	30		FDEDRO
C#CCC1([NH2+]CCOc2ccc(S(=O)(=O)N(C)C)cc2)CCOCC1	ZINC000887126875	996956028	/nfs/dbraw/zinc/95/60/28/996956028.db2.gz	AVEWHLOVSOTRAT-UHFFFAOYSA-N	1	0	366.483	1.478	20	30		FDEDRO
CCN(CC)c1ccc(/C=[NH+]\Cc2nnc3c(=O)n(C)ccn23)c(O)c1	ZINC000887270110	997079094	/nfs/dbraw/zinc/07/90/94/997079094.db2.gz	HRJATRGCYZBKRM-ODLFYWEKSA-N	1	0	354.414	1.599	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[N@@H+](C3CC3)C[C@@H](C)C2)CC1	ZINC000333410090	997214182	/nfs/dbraw/zinc/21/41/82/997214182.db2.gz	KBFWWKZBHCMMMP-PKOBYXMFSA-N	1	0	361.534	1.095	20	30		FDEDRO
C=C(C)[C@@H](CO)n1cc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)nn1	ZINC000887444757	997278457	/nfs/dbraw/zinc/27/84/57/997278457.db2.gz	OXNDEKURDVBKQO-MRXNPFEDSA-N	1	0	365.478	1.877	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C1=NN(c2ccccc2)C(=O)CC1	ZINC000263923944	997353242	/nfs/dbraw/zinc/35/32/42/997353242.db2.gz	HPUFGMGTVCBNLO-UHFFFAOYSA-N	1	0	355.442	1.863	20	30		FDEDRO
CN1CCN(C(=O)c2ccc(CNC(=[NH2+])NC3CCCCC3)cc2)CC1	ZINC000264093280	997401079	/nfs/dbraw/zinc/40/10/79/997401079.db2.gz	LKMAXWOLNCPAIK-UHFFFAOYSA-N	1	0	357.502	1.811	20	30		FDEDRO
COc1cccc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)c1OC	ZINC000264094661	997401212	/nfs/dbraw/zinc/40/12/12/997401212.db2.gz	LPGPPBGHESXDCF-UHFFFAOYSA-N	1	0	356.430	1.131	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCN(C)Cc2ccccc2)CC1	ZINC000264135349	997411282	/nfs/dbraw/zinc/41/12/82/997411282.db2.gz	ZKLBNNAYZWJQNV-UHFFFAOYSA-N	1	0	361.490	1.644	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NC[C@H](O)Cc2ccccc2)cc1OC	ZINC000264272202	997443589	/nfs/dbraw/zinc/44/35/89/997443589.db2.gz	LXEBKLJNZZEVPQ-QGZVFWFLSA-N	1	0	357.454	1.754	20	30		FDEDRO
C[C@H](C#N)CN(C)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000264496368	997524876	/nfs/dbraw/zinc/52/48/76/997524876.db2.gz	CAWNISZCOAJWOA-QAPCUYQASA-N	1	0	371.485	1.685	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1	ZINC000264523334	997530893	/nfs/dbraw/zinc/53/08/93/997530893.db2.gz	INOBLUCHPUYRJC-HZPDHXFCSA-N	1	0	373.453	1.253	20	30		FDEDRO
C=CCNC(=O)c1ccc(NCc2cccnc2N2CC[NH+](C)CC2)nc1	ZINC000264899725	997651971	/nfs/dbraw/zinc/65/19/71/997651971.db2.gz	VRRXEALUSVDMNY-UHFFFAOYSA-N	1	0	366.469	1.756	20	30		FDEDRO
C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCNC(=O)C2N=CC=CC2=O)C1	ZINC000265038090	997679912	/nfs/dbraw/zinc/67/99/12/997679912.db2.gz	MJRKPOUEMSLIGA-MGPWXQLLSA-N	1	0	362.474	1.530	20	30		FDEDRO
CC[NH+]=C(NCC(C)(C)c1ccc2c(c1)OCO2)N1CCN(C(C)=O)CC1	ZINC000103894069	998248512	/nfs/dbraw/zinc/24/85/12/998248512.db2.gz	DNSWKQMYTNQRRL-UHFFFAOYSA-N	1	0	374.485	1.823	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c(OC)c1	ZINC000889783543	998657591	/nfs/dbraw/zinc/65/75/91/998657591.db2.gz	YQMMKNVTDFQREU-MSOLQXFVSA-N	1	0	374.481	1.860	20	30		FDEDRO
C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)Nc2cccc(CC#N)n2)C1	ZINC000889796964	998665864	/nfs/dbraw/zinc/66/58/64/998665864.db2.gz	ZXZMQHSUPCVCDX-GJZGRUSLSA-N	1	0	357.458	1.570	20	30		FDEDRO
C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(CC#N)n1	ZINC000889873261	998715598	/nfs/dbraw/zinc/71/55/98/998715598.db2.gz	YOFYOZDUUYAMNN-KFWWJZLASA-N	1	0	357.458	1.569	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)n1	ZINC000890001842	998765539	/nfs/dbraw/zinc/76/55/39/998765539.db2.gz	UJUFWGLUIOPKQW-UHFFFAOYSA-N	1	0	369.469	1.999	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc(C2CC2)c(C#N)c1	ZINC000890011228	998772141	/nfs/dbraw/zinc/77/21/41/998772141.db2.gz	NBKBDDSZMGNEMM-KPZWWZAWSA-N	1	0	352.438	1.973	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(CC#N)n2)C1	ZINC000890028105	998782253	/nfs/dbraw/zinc/78/22/53/998782253.db2.gz	KDCWOAOVTQLBOJ-HNNXBMFYSA-N	1	0	357.458	1.570	20	30		FDEDRO
C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000890153099	998847652	/nfs/dbraw/zinc/84/76/52/998847652.db2.gz	YFIBZCZCYNMFIF-YJBOKZPZSA-N	1	0	369.469	1.670	20	30		FDEDRO
CSc1ccc(CNC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)cc1C#N	ZINC000890448359	998947619	/nfs/dbraw/zinc/94/76/19/998947619.db2.gz	WKIFCIWWBBBYKF-HNNXBMFYSA-N	1	0	362.499	1.925	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1csc(-c3ncc[nH]3)n1)C2	ZINC001110833565	999001284	/nfs/dbraw/zinc/00/12/84/999001284.db2.gz	ATHUWMUBKVUDNN-NFAWXSAZSA-N	1	0	371.466	1.518	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)CCOC1CN(C(=O)OC(C)(C)C)C1	ZINC000777316701	999004062	/nfs/dbraw/zinc/00/40/62/999004062.db2.gz	FPESKSQUWPMUAJ-OAHLLOKOSA-N	1	0	366.458	1.653	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1nc(C)c3cccnc31)C2	ZINC001110839403	999010628	/nfs/dbraw/zinc/01/06/28/999010628.db2.gz	FBUALWOLIMWZKY-NXHRZFHOSA-N	1	0	369.469	1.664	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNc3nc(C)ccc3C#N)C2)CC[N@@H+]1C	ZINC001066687651	999020230	/nfs/dbraw/zinc/02/02/30/999020230.db2.gz	ODZCDYIMDBFIDQ-FGTMMUONSA-N	1	0	371.485	1.631	20	30		FDEDRO
CC(C[NH+]1CCCCCC1)N=Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000777418971	999075465	/nfs/dbraw/zinc/07/54/65/999075465.db2.gz	RXLIOMFYLUQRCJ-UHFFFAOYSA-N	1	0	369.447	1.906	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nc(C)n(-c3nc[nH]n3)n1)C2	ZINC001110875458	999095203	/nfs/dbraw/zinc/09/52/03/999095203.db2.gz	DLKABFLTFFHWID-MYPMTAMASA-N	1	0	370.461	1.384	20	30		FDEDRO
N#Cc1ccc(CNC(=O)CN2CCC(OCC[NH+]3CCCC3)CC2)cc1	ZINC000266721070	999220222	/nfs/dbraw/zinc/22/02/22/999220222.db2.gz	JNTREFNQZKJLKI-UHFFFAOYSA-N	1	0	370.497	1.751	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(-n3cccn3)c2)CC1	ZINC000266822002	999239746	/nfs/dbraw/zinc/23/97/46/999239746.db2.gz	ZZOLSTPKDMJZQH-UHFFFAOYSA-N	1	0	353.426	1.577	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C	ZINC000266893746	999258277	/nfs/dbraw/zinc/25/82/77/999258277.db2.gz	RSLQEFBOQSKWNI-CVEARBPZSA-N	1	0	370.453	1.979	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=NOCC(=O)N2CCc3ccccc3C2)cc1	ZINC000266990293	999284641	/nfs/dbraw/zinc/28/46/41/999284641.db2.gz	ALNFRVXKCPPRMF-UHFFFAOYSA-N	1	0	366.465	1.970	20	30		FDEDRO
COc1cc(/C=C/C(=O)N2CCC([N@H+](C)CCO)CC2)ccc1OCC#N	ZINC000270454224	999560725	/nfs/dbraw/zinc/56/07/25/999560725.db2.gz	JSFHAVDHXQWVPZ-GQCTYLIASA-N	1	0	373.453	1.526	20	30		FDEDRO
C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000271430278	999701639	/nfs/dbraw/zinc/70/16/39/999701639.db2.gz	DORMDMUINHGKRW-JJLJGCLUSA-N	1	0	366.462	1.794	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C	ZINC000283499361	999756080	/nfs/dbraw/zinc/75/60/80/999756080.db2.gz	PKWDQBUGWDBGGO-QGZVFWFLSA-N	1	0	363.458	1.123	20	30		FDEDRO
C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000283638917	999759371	/nfs/dbraw/zinc/75/93/71/999759371.db2.gz	OXBYSKQSTPQYJJ-UHFFFAOYSA-N	1	0	371.489	1.450	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC1	ZINC000283711448	999760696	/nfs/dbraw/zinc/76/06/96/999760696.db2.gz	AGFALACMKMGNAZ-UHFFFAOYSA-N	1	0	370.497	1.670	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NCC1(C)CCOCC1)C(C)C	ZINC000284028202	999773504	/nfs/dbraw/zinc/77/35/04/999773504.db2.gz	LMXCRQXKSLRJRO-QGZVFWFLSA-N	1	0	365.518	1.734	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N(C)Cc1cccnc1)C(C)C	ZINC000284192628	999778823	/nfs/dbraw/zinc/77/88/23/999778823.db2.gz	VQODLNMRVKEVLP-SFHVURJKSA-N	1	0	358.486	1.855	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000284584686	999853284	/nfs/dbraw/zinc/85/32/84/999853284.db2.gz	VRRZJBNOBAMQHY-CALCHBBNSA-N	1	0	373.497	1.947	20	30		FDEDRO
C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1	ZINC000284835501	999871454	/nfs/dbraw/zinc/87/14/54/999871454.db2.gz	PFKOJUGRWISTMX-RNQOJCNYSA-N	1	0	360.454	1.550	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2c2ccncc2)CC1	ZINC000286399716	999944363	/nfs/dbraw/zinc/94/43/63/999944363.db2.gz	DQXDQRCORKYLPS-SFHVURJKSA-N	1	0	356.470	1.902	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2ccc3[nH]ccc3c2)CC1	ZINC000286502768	999944909	/nfs/dbraw/zinc/94/49/09/999944909.db2.gz	KMFSGEAJCLQISD-UHFFFAOYSA-N	1	0	354.454	1.593	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)CC2(c3ccccc3)CC2)CC1	ZINC000286624321	999945573	/nfs/dbraw/zinc/94/55/73/999945573.db2.gz	MBTMXYCUPGNYTN-UHFFFAOYSA-N	1	0	355.482	1.943	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)CCOc2ccccc2F)CC1	ZINC000286655184	999945771	/nfs/dbraw/zinc/94/57/71/999945771.db2.gz	NONAPEZRDBPBJD-UHFFFAOYSA-N	1	0	363.433	1.430	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCO[C@H](c3ccccc3)C2)CC1	ZINC000286672875	999945873	/nfs/dbraw/zinc/94/58/73/999945873.db2.gz	ONIJMLBMDVRRGT-IBGZPJMESA-N	1	0	371.481	1.743	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NCCCCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000286680273	999945902	/nfs/dbraw/zinc/94/59/02/999945902.db2.gz	IPTYCOOXJBOGKV-AEFFLSMTSA-N	1	0	356.470	1.823	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)c2cccc(OC)c2)CC1	ZINC000286692396	999946297	/nfs/dbraw/zinc/94/62/97/999946297.db2.gz	PLNZSEWFNVLUPC-UHFFFAOYSA-N	1	0	373.497	1.856	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccnc(O[C@H](C)CC)c2)CC1	ZINC000286708494	999946914	/nfs/dbraw/zinc/94/69/14/999946914.db2.gz	QGEQLLOAFSQAGK-OAHLLOKOSA-N	1	0	374.485	1.642	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1	ZINC000286707997	999946956	/nfs/dbraw/zinc/94/69/56/999946956.db2.gz	ULUCEUCXYPJDRJ-GOSISDBHSA-N	1	0	359.470	1.081	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2Cc3ccccc3OC[C@@H]2C)CC1	ZINC000286806604	999951126	/nfs/dbraw/zinc/95/11/26/999951126.db2.gz	VHIACYMUNPZIPJ-INIZCTEOSA-N	1	0	371.481	1.953	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](c2cccnc2)C(C)C)CC1	ZINC000286862077	999952995	/nfs/dbraw/zinc/95/29/95/999952995.db2.gz	ZPJLVFYDZOMUSU-SFHVURJKSA-N	1	0	358.486	1.704	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1	ZINC000287121981	999954918	/nfs/dbraw/zinc/95/49/18/999954918.db2.gz	PSYUTVXDVFGEFA-UHFFFAOYSA-N	1	0	359.470	1.668	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1	ZINC000287290673	999956270	/nfs/dbraw/zinc/95/62/70/999956270.db2.gz	KBDLONHFEYBMPR-NVXWUHKLSA-N	1	0	359.470	1.809	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N(C)CC1CC[NH+](C)CC1	ZINC000287276974	999956346	/nfs/dbraw/zinc/95/63/46/999956346.db2.gz	JLZHMBFHSUWXHL-UHFFFAOYSA-N	1	0	359.470	1.668	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C	ZINC000288224546	999998343	/nfs/dbraw/zinc/99/83/43/999998343.db2.gz	REPVZKSVAQXUEF-RHSMWYFYSA-N	1	0	373.428	1.861	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1	ZINC000288416751	1000015484	/nfs/dbraw/zinc/01/54/84/1000015484.db2.gz	XFHXKOXFPXAYGN-FUHWJXTLSA-N	1	0	359.470	1.475	20	30		FDEDRO
COc1ccncc1CON=C(N)c1ccccc1C[NH+]1CCC(O)CC1	ZINC000288736625	1000042210	/nfs/dbraw/zinc/04/22/10/1000042210.db2.gz	WZHZPUNLDXNOQP-UHFFFAOYSA-N	1	0	370.453	1.884	20	30		FDEDRO
Cn1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c(=O)n(C)c1=O	ZINC000289234763	1000083891	/nfs/dbraw/zinc/08/38/91/1000083891.db2.gz	DHAWDFVAXNWGEM-UHFFFAOYSA-N	1	0	372.400	1.138	20	30		FDEDRO
C[C@@H]1[C@H](N2CCOCC2)CCN1CC(=O)N(CCC#N)c1ccccc1	ZINC000289910211	1000122055	/nfs/dbraw/zinc/12/20/55/1000122055.db2.gz	SZKBYMRDBQVTMV-IEBWSBKVSA-N	1	0	356.470	1.728	20	30		FDEDRO
C=C(C)Cn1c(CC2CC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000292779148	1000261301	/nfs/dbraw/zinc/26/13/01/1000261301.db2.gz	BYRVZDOATMQCKY-QGZVFWFLSA-N	1	0	372.517	1.550	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CC[C@H]([NH3+])[C@H](CC)C3)cc21	ZINC000927796842	1001055015	/nfs/dbraw/zinc/05/50/15/1001055015.db2.gz	FSHLFKURGFFAGV-CJNGLKHVSA-N	1	0	355.442	1.747	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc21	ZINC000927803218	1001063154	/nfs/dbraw/zinc/06/31/54/1001063154.db2.gz	NYQIMRDCCPHTTI-CWRNSKLLSA-N	1	0	367.453	1.665	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1	ZINC000927846396	1001109352	/nfs/dbraw/zinc/10/93/52/1001109352.db2.gz	ONBCQNSHVSROPR-CHWSQXEVSA-N	1	0	357.332	1.538	20	30		FDEDRO
C[NH2+]CCN(C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)C(C)C	ZINC000927866118	1001147102	/nfs/dbraw/zinc/14/71/02/1001147102.db2.gz	ACXNUPBGTPNORG-UHFFFAOYSA-N	1	0	354.357	1.555	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)cc1C#N	ZINC000927866686	1001149050	/nfs/dbraw/zinc/14/90/50/1001149050.db2.gz	PRYCBEOFDLLJJO-UHFFFAOYSA-N	1	0	366.396	1.906	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(NC(=O)[C@@H]3C[C@H]3CCC)CC2)CC1	ZINC000947041878	1001439004	/nfs/dbraw/zinc/43/90/04/1001439004.db2.gz	RGIGRFJXUURVES-IEBWSBKVSA-N	1	0	359.514	1.875	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)CC1	ZINC000928648506	1001606215	/nfs/dbraw/zinc/60/62/15/1001606215.db2.gz	MGWNZYCQWMQVQR-RDJZCZTQSA-N	1	0	370.371	1.011	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2[nH]nc(C3CC3)c2Br)CC1	ZINC000928656821	1001612589	/nfs/dbraw/zinc/61/25/89/1001612589.db2.gz	DONLFQAVTUBULY-UHFFFAOYSA-N	1	0	351.248	1.877	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1	ZINC000928657239	1001612674	/nfs/dbraw/zinc/61/26/74/1001612674.db2.gz	SXSTWRNSZQMZSN-OAHLLOKOSA-N	1	0	355.438	1.262	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)CC1	ZINC000928658987	1001614500	/nfs/dbraw/zinc/61/45/00/1001614500.db2.gz	AOXPHUWLXNKOQU-QGZVFWFLSA-N	1	0	371.456	1.892	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CCc2nc(-c3ccc(OC)cc3)no2)CC1	ZINC000928659660	1001615241	/nfs/dbraw/zinc/61/52/41/1001615241.db2.gz	WJXBDWHPAQBGJY-UHFFFAOYSA-N	1	0	368.437	1.892	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CSc2nncn2-c2ccc(C)cc2)CC1	ZINC000928659468	1001615385	/nfs/dbraw/zinc/61/53/85/1001615385.db2.gz	NLBGJOHSXVJRGC-UHFFFAOYSA-N	1	0	369.494	1.882	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)CC1	ZINC000928661582	1001616489	/nfs/dbraw/zinc/61/64/89/1001616489.db2.gz	ZRMKRWGJFXOJCJ-FQEVSTJZSA-N	1	0	366.465	1.429	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCCN(c3cncc(C#N)n3)C2)CC[N@@H+]1C	ZINC001110963970	1001802647	/nfs/dbraw/zinc/80/26/47/1001802647.db2.gz	RQDYQVYGXMNZFT-OGWOLHLISA-N	1	0	356.474	1.411	20	30		FDEDRO
COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CN=C(c2cnn(C)c2)O1	ZINC000929395130	1001996552	/nfs/dbraw/zinc/99/65/52/1001996552.db2.gz	NTFLZKILSIXFHX-GOSISDBHSA-N	1	0	353.426	1.586	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCC1(c2ccc(F)cc2)CC1)C1CC[NH+](C)CC1	ZINC000929541784	1002185440	/nfs/dbraw/zinc/18/54/40/1002185440.db2.gz	ZKSHPHGVGFBLIW-UHFFFAOYSA-N	1	0	371.456	1.530	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2cccc(-n3nnnc3SC)c2)CC1	ZINC000929588222	1002231382	/nfs/dbraw/zinc/23/13/82/1002231382.db2.gz	JSOPKBCFAQFMTB-UHFFFAOYSA-N	1	0	371.470	1.603	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NCC[NH+]1CCCCCC1	ZINC000076239430	1002334222	/nfs/dbraw/zinc/33/42/22/1002334222.db2.gz	KTZQESDICGUTOK-UHFFFAOYSA-N	1	0	361.417	1.768	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)CC1	ZINC000948449497	1002350970	/nfs/dbraw/zinc/35/09/70/1002350970.db2.gz	SEQVSBYADSHAIV-OTWHNJEPSA-N	1	0	358.486	1.834	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1	ZINC000948459692	1002366198	/nfs/dbraw/zinc/36/61/98/1002366198.db2.gz	PFVCNCWQJRZYMZ-FSPWUOQZSA-N	1	0	369.469	1.337	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC2CCN(C(=O)[C@H]3CC[C@@H](C)O3)CC2)CC1	ZINC000948525510	1002411082	/nfs/dbraw/zinc/41/10/82/1002411082.db2.gz	MXUYJTLLXBNFOE-CRAIPNDOSA-N	1	0	361.486	1.006	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)/C=C\c2ccc[nH]2)C[C@H]1C	ZINC000948692354	1002571873	/nfs/dbraw/zinc/57/18/73/1002571873.db2.gz	BTXNRSIPSDMOGC-XQOUECFOSA-N	1	0	354.454	1.089	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C2CC2)[C@H]2CCCOC2)CC1	ZINC000930011150	1002734267	/nfs/dbraw/zinc/73/42/67/1002734267.db2.gz	XPWZHDXQPYAODG-WMZOPIPTSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc3c(c2)C[C@H](C)O3)CC1	ZINC000930010608	1002734423	/nfs/dbraw/zinc/73/44/23/1002734423.db2.gz	SLJIFCOZZONVMC-HNNXBMFYSA-N	1	0	371.481	1.783	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1	ZINC000190032865	1002753328	/nfs/dbraw/zinc/75/33/28/1002753328.db2.gz	OWOKTZHCHRDEMO-HNNXBMFYSA-N	1	0	374.416	1.753	20	30		FDEDRO
C=CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1	ZINC000948959532	1002876409	/nfs/dbraw/zinc/87/64/09/1002876409.db2.gz	YMBMDEPXEFOIIK-OKZBNKHCSA-N	1	0	357.454	1.311	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1	ZINC000966001468	1016689839	/nfs/dbraw/zinc/68/98/39/1016689839.db2.gz	XLJSEUVMHYGKAX-NCOADZHNSA-N	1	0	351.491	1.415	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1	ZINC000948985594	1002905946	/nfs/dbraw/zinc/90/59/46/1002905946.db2.gz	JGMKUULFELYJND-OLMNPRSZSA-N	1	0	371.485	1.726	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)C1	ZINC000930283040	1002995238	/nfs/dbraw/zinc/99/52/38/1002995238.db2.gz	CFJNZHPBSGABRR-INIZCTEOSA-N	1	0	358.490	1.677	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)CCO2	ZINC000949147068	1003037993	/nfs/dbraw/zinc/03/79/93/1003037993.db2.gz	BCMHHDSEBKZOLN-OKZBNKHCSA-N	1	0	364.486	1.307	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2C(=O)CNC2=O)CCC1	ZINC001110987290	1003060484	/nfs/dbraw/zinc/06/04/84/1003060484.db2.gz	MZAULNWATJDGPN-KFWWJZLASA-N	1	0	360.458	1.006	20	30		FDEDRO
C#CCN(C(=O)C(=O)NC[C@H](C)c1ncc(C)s1)C1CC[NH+](C)CC1	ZINC000930375430	1003068965	/nfs/dbraw/zinc/06/89/65/1003068965.db2.gz	XVGCXBFOCBIHDF-ZDUSSCGKSA-N	1	0	362.499	1.227	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cc1C#N	ZINC000930378231	1003071820	/nfs/dbraw/zinc/07/18/20/1003071820.db2.gz	HVSZICKRENTFFV-GOSISDBHSA-N	1	0	370.497	1.967	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1cn(CCCC)nc1C)C1CC[NH+](C)CC1	ZINC000930429970	1003119474	/nfs/dbraw/zinc/11/94/74/1003119474.db2.gz	AFNCWVLYOBGGKA-UHFFFAOYSA-N	1	0	373.501	1.164	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H]1C[C@H](OC(C)C)C1(C)C)C1CC[NH+](C)CC1	ZINC000930516691	1003229189	/nfs/dbraw/zinc/22/91/89/1003229189.db2.gz	YLVJICDNOLGOMK-IRXDYDNUSA-N	1	0	363.502	1.251	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H](C)c1ccncc1CC)C1CC[NH+](C)CC1	ZINC000930558873	1003267351	/nfs/dbraw/zinc/26/73/51/1003267351.db2.gz	GHBGYLYCXSCCNU-OAHLLOKOSA-N	1	0	356.470	1.377	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)cc1	ZINC000930577327	1003285977	/nfs/dbraw/zinc/28/59/77/1003285977.db2.gz	RXXTXCGOYSZHBB-GOSISDBHSA-N	1	0	353.426	1.417	20	30		FDEDRO
COC(=O)C1(C#N)CCN(C[C@H](O)COCc2cccc(OC)c2)CC1	ZINC000930639761	1003353124	/nfs/dbraw/zinc/35/31/24/1003353124.db2.gz	PRUQSLUHPFZWLD-INIZCTEOSA-N	1	0	362.426	1.351	20	30		FDEDRO
C#CC[C@@H]1CCC[N@@H+](C[C@@H](O)CC2(O)CCC(C(=O)OCC)CC2)C1	ZINC000930815973	1003538934	/nfs/dbraw/zinc/53/89/34/1003538934.db2.gz	HFBQTBWUHPEFLI-BHASAWDCSA-N	1	0	351.487	1.957	20	30		FDEDRO
C#CC[C@H]1CCC[N@@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1	ZINC000930816703	1003540074	/nfs/dbraw/zinc/54/00/74/1003540074.db2.gz	NZGCGAHHKFUQMZ-JKSUJKDBSA-N	1	0	356.532	1.723	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@@H](O)C1	ZINC000966368019	1016794013	/nfs/dbraw/zinc/79/40/13/1016794013.db2.gz	KEWBSXSTKZSPSI-IKGGRYGDSA-N	1	0	363.502	1.294	20	30		FDEDRO
CN1CCN(C(=O)Nc2ncccc2OCCCC#N)CC[N@H+](C)CC1	ZINC000930892622	1003639436	/nfs/dbraw/zinc/63/94/36/1003639436.db2.gz	COKSCCDQALROGX-UHFFFAOYSA-N	1	0	360.462	1.475	20	30		FDEDRO
CCOC(=O)C1CCC(O)(C[C@@H](O)C[N@@H+]2CCC[C@H](CC#N)C2)CC1	ZINC000930921062	1003664303	/nfs/dbraw/zinc/66/43/03/1003664303.db2.gz	AXOBWKDFHLGSII-FXQQTDPRSA-N	1	0	352.475	1.847	20	30		FDEDRO
CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[N@@H+]2CCC[C@H](CC#N)C2)CCC1	ZINC000930924691	1003668049	/nfs/dbraw/zinc/66/80/49/1003668049.db2.gz	RASRLLQOGRWNSD-CABCVRRESA-N	1	0	357.520	1.614	20	30		FDEDRO
C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)Cc1cc(C#N)cs1	ZINC000931004985	1003764123	/nfs/dbraw/zinc/76/41/23/1003764123.db2.gz	QDMZEBMJRCDLLL-AWEZNQCLSA-N	1	0	362.499	1.815	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H]1[C@@H](c2ccccc2)C1(C)C)C1CC[NH+](C)CC1	ZINC000931059682	1003831415	/nfs/dbraw/zinc/83/14/15/1003831415.db2.gz	ODNAEKSZOKDSEP-RTBURBONSA-N	1	0	367.493	1.851	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H]1c2ccccc2CC[C@@H]1F)C1CC[NH+](C)CC1	ZINC000931239732	1003988152	/nfs/dbraw/zinc/98/81/52/1003988152.db2.gz	ICDSLQGCGDZAMQ-RBUKOAKNSA-N	1	0	371.456	1.684	20	30		FDEDRO
Cc1cc(N(CCC#N)C(=O)CN2CCN(C)[C@@H](CO)C2)ccc1Cl	ZINC000931410681	1004134134	/nfs/dbraw/zinc/13/41/34/1004134134.db2.gz	YXNWMCGUKLLPOC-MRXNPFEDSA-N	1	0	364.877	1.503	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](N3CC[NH+](CCCCCO)CC3)C2=O)cc1	ZINC000931496127	1004215136	/nfs/dbraw/zinc/21/51/36/1004215136.db2.gz	HJSVNLYJKTXXAS-LJQANCHMSA-N	1	0	356.470	1.444	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(C(=O)Nc3nc(Cl)c(C#N)s3)CC2)C1	ZINC000931725115	1004447358	/nfs/dbraw/zinc/44/73/58/1004447358.db2.gz	PCWHZTUTRJLXKX-NSHDSACASA-N	1	0	368.894	1.912	20	30		FDEDRO
COc1cc(NC(=O)N2CCO[C@](C)(C#N)C2)ccc1OCC[NH+](C)C	ZINC000931767481	1004481468	/nfs/dbraw/zinc/48/14/68/1004481468.db2.gz	SIYLLMXFYUCBEX-GOSISDBHSA-N	1	0	362.430	1.782	20	30		FDEDRO
C[C@]1([C@@H]2CCC[N@H+](CC(=O)NCc3ccc(C#N)cc3)C2)COC(=O)N1	ZINC000932025444	1004715577	/nfs/dbraw/zinc/71/55/77/1004715577.db2.gz	GGOCJEKQGSXPLX-VQIMIIECSA-N	1	0	356.426	1.385	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CCC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1	ZINC000932602546	1005033339	/nfs/dbraw/zinc/03/33/39/1005033339.db2.gz	ZAAYHCDQXDKWGZ-LJQANCHMSA-N	1	0	370.497	1.758	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](CCNC(=O)OC(C)(C)C)C1	ZINC000932702370	1005109234	/nfs/dbraw/zinc/10/92/34/1005109234.db2.gz	JICINNCCHMXSAK-KGLIPLIRSA-N	1	0	368.478	1.623	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H](CC#N)C(F)(F)F	ZINC000932915806	1005242949	/nfs/dbraw/zinc/24/29/49/1005242949.db2.gz	HIYKOZLDHOVYAI-NEPJUHHUSA-N	1	0	363.384	1.073	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)N[C@H]([C@H]1CCOC1)C(F)(F)F	ZINC000933009599	1005314234	/nfs/dbraw/zinc/31/42/34/1005314234.db2.gz	IMFRYNJZACDHNY-QWHCGFSZSA-N	1	0	350.385	1.831	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)N3CC[N@H+](C)C[C@@H](C(=O)OC)C3)cc21	ZINC000933084216	1005344212	/nfs/dbraw/zinc/34/42/12/1005344212.db2.gz	OAYADOIGJUPRLD-OAHLLOKOSA-N	1	0	371.441	1.791	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@H]2CCOC23CCCCC3)CC1	ZINC000933871190	1005651582	/nfs/dbraw/zinc/65/15/82/1005651582.db2.gz	HCXIMEKJSGKLOM-MSOLQXFVSA-N	1	0	362.518	1.760	20	30		FDEDRO
CCOC(=O)C1([C@@H](C)[NH2+]CC(=O)N(CC)C[C@H](C)C#N)CCOCC1	ZINC000933883386	1005653969	/nfs/dbraw/zinc/65/39/69/1005653969.db2.gz	YRMJIUFEPQNCPC-HUUCEWRRSA-N	1	0	353.463	1.333	20	30		FDEDRO
C=CCN(C(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(C)C	ZINC000934312311	1005731270	/nfs/dbraw/zinc/73/12/70/1005731270.db2.gz	DSCDORGXYXMWDC-GOSISDBHSA-N	1	0	360.502	1.895	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CN1CCCC1=O	ZINC001111073859	1005742541	/nfs/dbraw/zinc/74/25/41/1005742541.db2.gz	VKJJQIRWUCKKII-VQHPVUNQSA-N	1	0	363.502	1.294	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)CC1	ZINC000934433725	1005745623	/nfs/dbraw/zinc/74/56/23/1005745623.db2.gz	DJDJZNQQJANNPO-UHFFFAOYSA-N	1	0	372.469	1.569	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC000947132274	1005749600	/nfs/dbraw/zinc/74/96/00/1005749600.db2.gz	YNJLFGSTLGXTKH-NVXWUHKLSA-N	1	0	358.486	1.735	20	30		FDEDRO
C[NH+]=C(N[C@@H]1C[C@@](C)(OC)C1(C)C)N1CCN(C(=O)c2ccco2)CC1	ZINC000089158683	1006030217	/nfs/dbraw/zinc/03/02/17/1006030217.db2.gz	QOUVZORRRRWUHO-DNVCBOLYSA-N	1	0	362.474	1.816	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)C2	ZINC001111115650	1006278859	/nfs/dbraw/zinc/27/88/59/1006278859.db2.gz	AZPAEUTZNIBYJZ-TUVASFSCSA-N	1	0	357.520	1.390	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCCCN1C(C)=O)C2	ZINC001111132565	1006356179	/nfs/dbraw/zinc/35/61/79/1006356179.db2.gz	XGJPTDOUVDCMQZ-MKXGPGLRSA-N	1	0	363.502	1.702	20	30		FDEDRO
CNC(=O)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)CC1	ZINC001111144071	1006435850	/nfs/dbraw/zinc/43/58/50/1006435850.db2.gz	NQBZHTRUIPBICS-ZACQAIPSSA-N	1	0	352.438	1.306	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)CC[N@@H+]1C	ZINC000967015849	1017058532	/nfs/dbraw/zinc/05/85/32/1017058532.db2.gz	GZSJUXYLXDOELF-KBRIMQKVSA-N	1	0	371.485	1.583	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3c(cnn3C)c1)C2	ZINC001111183025	1006700495	/nfs/dbraw/zinc/70/04/95/1006700495.db2.gz	LLDCGTHUJHPPDE-ZACQAIPSSA-N	1	0	355.442	1.506	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1	ZINC000954402631	1006715260	/nfs/dbraw/zinc/71/52/60/1006715260.db2.gz	TXVQVFVQYHQEQC-IKGGRYGDSA-N	1	0	351.491	1.223	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C[C@@H]3CCOC3)nn1)C2	ZINC001111198107	1006817189	/nfs/dbraw/zinc/81/71/89/1006817189.db2.gz	IYKCOSDAIZETJC-LHHMISFZSA-N	1	0	359.474	1.616	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)CC1	ZINC000954501642	1006820607	/nfs/dbraw/zinc/82/06/07/1006820607.db2.gz	MBOFKULTWBLHIJ-FUHIMQAGSA-N	1	0	369.509	1.603	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1	ZINC000954511076	1006831143	/nfs/dbraw/zinc/83/11/43/1006831143.db2.gz	HDGPDMKGBXGFTL-JQHSSLGASA-N	1	0	363.502	1.510	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]cc1C1CC1)C2	ZINC001111201953	1006849968	/nfs/dbraw/zinc/84/99/68/1006849968.db2.gz	ZBNVQIABICHCQP-GGBBIFEXSA-N	1	0	356.470	1.918	20	30		FDEDRO
COC(=O)[C@]1(NC(=O)c2c[nH]c(C#N)c2)CCC[N@H+](Cc2ccccc2)C1	ZINC000778879784	1006951733	/nfs/dbraw/zinc/95/17/33/1006951733.db2.gz	PCGXBMUATMQQOM-FQEVSTJZSA-N	1	0	366.421	1.824	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO[C@H]1CCOC1	ZINC001111487326	1006974711	/nfs/dbraw/zinc/97/47/11/1006974711.db2.gz	JNJZHWIGUCLEIH-XDNAFOTISA-N	1	0	352.475	1.496	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c([nH]1)CCCC3)C2	ZINC001111238034	1007022203	/nfs/dbraw/zinc/02/22/03/1007022203.db2.gz	HIROBVNQIKQGHQ-VWMOJTHMSA-N	1	0	370.497	1.919	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-n3cccc3)ccn1)C2	ZINC001111242221	1007049216	/nfs/dbraw/zinc/04/92/16/1007049216.db2.gz	VWIDAOQZKVEYLO-GGPKGHCWSA-N	1	0	364.449	1.857	20	30		FDEDRO
CC#CC[C@@H](CO)[NH2+]Cc1c[nH]nc1CN1C(=O)c2ccccc2C1=O	ZINC000641767295	1007138560	/nfs/dbraw/zinc/13/85/60/1007138560.db2.gz	IJJPAWGDALCYCF-AWEZNQCLSA-N	1	0	352.394	1.070	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000954931844	1007140168	/nfs/dbraw/zinc/14/01/68/1007140168.db2.gz	BRISKGUYQSGFCS-DNVCBOLYSA-N	1	0	353.466	1.220	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N[C@@H]1CCCN(c2cnn(C)c2)C1	ZINC000246569468	1007220394	/nfs/dbraw/zinc/22/03/94/1007220394.db2.gz	XIRZMWKBONNYNX-XLNGHYISSA-N	1	0	360.506	1.367	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1	ZINC000955081901	1007234859	/nfs/dbraw/zinc/23/48/59/1007234859.db2.gz	MKVJSRZAXOBVCA-LAQRGFTBSA-N	1	0	363.502	1.367	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C#N)c[nH]2)C1	ZINC001007262938	1007384913	/nfs/dbraw/zinc/38/49/13/1007384913.db2.gz	DLPGJLPEYSWQIX-IIMJZQEZSA-N	1	0	369.469	1.482	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2C2CCC2)CC1	ZINC000956033801	1007787614	/nfs/dbraw/zinc/78/76/14/1007787614.db2.gz	AVNCRFGQVAVQBK-SLFFLAALSA-N	1	0	371.525	1.875	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)nc1	ZINC000957457124	1008308486	/nfs/dbraw/zinc/30/84/86/1008308486.db2.gz	IDWQLOKLHLWRDQ-CRAIPNDOSA-N	1	0	368.481	1.514	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1	ZINC000949936294	1008537471	/nfs/dbraw/zinc/53/74/71/1008537471.db2.gz	BJCJILJHWBVVKJ-RVKKMQEKSA-N	1	0	371.485	1.441	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)cc1OC	ZINC000649079148	1008903221	/nfs/dbraw/zinc/90/32/21/1008903221.db2.gz	XMAYKXYJNGWBAG-CQSZACIVSA-N	1	0	361.442	1.452	20	30		FDEDRO
N#Cc1cncc(NC2CC[NH+](CCNC(=O)[C@@H]3C[C@H]3C3CCC3)CC2)n1	ZINC001111323661	1009615435	/nfs/dbraw/zinc/61/54/35/1009615435.db2.gz	OJIBNMMNTLUUGH-ZWKOTPCHSA-N	1	0	368.485	1.777	20	30		FDEDRO
C[C@@H]1CCCN(C(=[NH2+])NCCCN2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000303866450	1009643401	/nfs/dbraw/zinc/64/34/01/1009643401.db2.gz	CKFJHCUSIZQHEV-MRXNPFEDSA-N	1	0	367.538	1.976	20	30		FDEDRO
CN(C)c1ncccc1CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000303872667	1009646168	/nfs/dbraw/zinc/64/61/68/1009646168.db2.gz	CECDRYNEFGBTJX-UHFFFAOYSA-N	1	0	362.478	1.515	20	30		FDEDRO
C[NH+]=C(NCCOc1ccc(C(F)(F)F)cc1)NCCN1CCOCC1	ZINC000303881575	1009670810	/nfs/dbraw/zinc/67/08/10/1009670810.db2.gz	KZKIEEUSFASLAW-UHFFFAOYSA-N	1	0	374.407	1.581	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCCOc1cccc(C(F)(F)F)c1	ZINC000303901210	1009684471	/nfs/dbraw/zinc/68/44/71/1009684471.db2.gz	XGAXPUAFYDFBEQ-UHFFFAOYSA-N	1	0	374.407	1.711	20	30		FDEDRO
CC(C)(CNC(=[NH2+])NCCCN1CCOCC1)c1ccc2c(c1)OCO2	ZINC000303968521	1009781019	/nfs/dbraw/zinc/78/10/19/1009781019.db2.gz	ARNLAMIJFYRPPA-UHFFFAOYSA-N	1	0	362.474	1.320	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCN2c3ccccc3C[C@@H]2C)CC1	ZINC000303990533	1009794595	/nfs/dbraw/zinc/79/45/95/1009794595.db2.gz	YTYGABVUSRQDKP-HNNXBMFYSA-N	1	0	373.501	1.963	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ccc(C)cc2)C[C@H]1C	ZINC000950948366	1010091773	/nfs/dbraw/zinc/09/17/73/1010091773.db2.gz	OQFJAGAAKITRHR-RLLQIKCJSA-N	1	0	367.493	1.598	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)c1	ZINC000648207001	1010304336	/nfs/dbraw/zinc/30/43/36/1010304336.db2.gz	RESVSRBZUGGBGG-MRXNPFEDSA-N	1	0	363.483	1.555	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1	ZINC000951255447	1010654619	/nfs/dbraw/zinc/65/46/19/1010654619.db2.gz	OIDABZFZSHMDKG-SQNIBIBYSA-N	1	0	363.502	1.417	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@]2(CO)CCCN(c3ncccc3C#N)C2)CC[N@@H+]1C	ZINC001111373240	1010837556	/nfs/dbraw/zinc/83/75/56/1010837556.db2.gz	DQIAHZFSXXNBRP-SQGPQFPESA-N	1	0	371.485	1.131	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1NC(=O)NC1=O)C2	ZINC001111374558	1010852625	/nfs/dbraw/zinc/85/26/25/1010852625.db2.gz	RFOFWKOZSLWJNX-QXSJWSMHSA-N	1	0	364.490	1.667	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC000951790046	1011088703	/nfs/dbraw/zinc/08/87/03/1011088703.db2.gz	TXVJIKSIRDIINL-SJKOYZFVSA-N	1	0	362.393	1.425	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3OCCN(C(=O)C[N@H+]4CCC[C@H]4C)[C@H]3C2)C1	ZINC000960955345	1011762432	/nfs/dbraw/zinc/76/24/32/1011762432.db2.gz	PYLMVWQNSODOGK-IXDOHACOSA-N	1	0	361.486	1.265	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1	ZINC000961232751	1012086353	/nfs/dbraw/zinc/08/63/53/1012086353.db2.gz	XEJSOLDBNRZXQL-IPJCAIGPSA-N	1	0	351.450	1.920	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCS(=O)(=O)N1)C2	ZINC001111412357	1012389685	/nfs/dbraw/zinc/38/96/85/1012389685.db2.gz	LLAMLBHINVENGB-FPCVCCKLSA-N	1	0	357.520	1.370	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(c3ccnc(C#N)n3)CC2)CC[N@@H+]1C	ZINC001066797735	1012441928	/nfs/dbraw/zinc/44/19/28/1012441928.db2.gz	JEGZQLUPYMTLLM-HRCADAONSA-N	1	0	356.474	1.554	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(c3nc(C)cc(C#N)n3)CC2)CC[N@@H+]1C	ZINC001066798897	1012571707	/nfs/dbraw/zinc/57/17/07/1012571707.db2.gz	WDYWHRJYHBIZJU-RYQLBKOJSA-N	1	0	370.501	1.862	20	30		FDEDRO
C=C(Br)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1	ZINC000963789309	1012699683	/nfs/dbraw/zinc/69/96/83/1012699683.db2.gz	WVLZYRLKZXQTDN-VTRUDKGBSA-N	1	0	358.236	1.577	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc(OCC)n3)C[C@H]21	ZINC000961826522	1012896688	/nfs/dbraw/zinc/89/66/88/1012896688.db2.gz	PCZDFSIGPQBCNT-GJGATLCTSA-N	1	0	357.454	1.618	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)CC2)CC[N@@H+]1C	ZINC000963970182	1013027249	/nfs/dbraw/zinc/02/72/49/1013027249.db2.gz	DHWKFDFHMCAHCI-GZOSKZMVSA-N	1	0	371.485	1.631	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)cc1	ZINC000796508400	1017179032	/nfs/dbraw/zinc/17/90/32/1017179032.db2.gz	ATLCDHFCQFKRIC-GOEBONIOSA-N	1	0	351.472	1.881	20	30		FDEDRO
C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CCC(F)(C#N)CC2)c1	ZINC000506620824	538901097	/nfs/dbraw/zinc/90/10/97/538901097.db2.gz	KNDBPQUDIKRAFL-UHFFFAOYSA-N	1	0	362.405	1.420	20	30		FDEDRO
COC(=O)C1CCC([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000192448802	178113563	/nfs/dbraw/zinc/11/35/63/178113563.db2.gz	NJXWJPRXKPCSFR-ABHNRTSZSA-N	1	0	355.438	1.981	20	30		FDEDRO
N#Cc1cc(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)ccn1	ZINC000193060436	178145226	/nfs/dbraw/zinc/14/52/26/178145226.db2.gz	SUMGVJWRPDYSNU-MRXNPFEDSA-N	1	0	363.421	1.903	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+]C[C@@H]3C[C@H](O)CN3Cc3ccccc3)n2c1	ZINC000245623491	178371152	/nfs/dbraw/zinc/37/11/52/178371152.db2.gz	PDJDIQDTWCLJJC-ICSRJNTNSA-N	1	0	361.449	1.931	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1	ZINC000245934134	178391352	/nfs/dbraw/zinc/39/13/52/178391352.db2.gz	ZESLTDDWQKABBJ-POAQFYNOSA-N	1	0	369.465	1.773	20	30		FDEDRO
COC(=O)[C@](C)(C[NH2+]Cc1cnc2c(C#N)cnn2c1)c1ccc(F)cc1	ZINC000514604399	539014847	/nfs/dbraw/zinc/01/48/47/539014847.db2.gz	XRPQEMSRXNCGAZ-LJQANCHMSA-N	1	0	367.384	1.961	20	30		FDEDRO
CN1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)[C@H](C[NH3+])C1	ZINC000518343964	539410328	/nfs/dbraw/zinc/41/03/28/539410328.db2.gz	UYTZYRUGJMXIHJ-LXPRWKDFSA-N	1	0	371.485	1.533	20	30		FDEDRO
CN(CCC[NH3+])C(=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1	ZINC000519183182	539475159	/nfs/dbraw/zinc/47/51/59/539475159.db2.gz	KRHQHUMFZJTKKX-UHFFFAOYSA-N	1	0	350.422	1.649	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCN(Cc3ccccc3)C2)nc1	ZINC000520782722	539510153	/nfs/dbraw/zinc/51/01/53/539510153.db2.gz	CEVDOZUQFXAWGO-GOSISDBHSA-N	1	0	370.478	1.591	20	30		FDEDRO
C[C@H](CNC(=O)CCCCOc1cccc(C#N)c1)N1CC[NH+](C)CC1	ZINC000264935213	179245500	/nfs/dbraw/zinc/24/55/00/179245500.db2.gz	ORLVDWXRNLFUJL-QGZVFWFLSA-N	1	0	358.486	1.859	20	30		FDEDRO
Cc1cc(CS(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)no1	ZINC000265307308	179335741	/nfs/dbraw/zinc/33/57/41/179335741.db2.gz	HWTDUAIJXRQAJX-UHFFFAOYSA-N	1	0	362.455	1.748	20	30		FDEDRO
CCC(CC)[C@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1OC)[NH+](C)C	ZINC000265407449	179368159	/nfs/dbraw/zinc/36/81/59/179368159.db2.gz	RKEGFNXXLXOSOD-INIZCTEOSA-N	1	0	360.458	1.988	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)NC[C@@H]3CC[N@@H+]3C3CCCC3)CC2)c1	ZINC000528288501	539744386	/nfs/dbraw/zinc/74/43/86/539744386.db2.gz	WQEVCLDITGNZSQ-SFHVURJKSA-N	1	0	368.485	1.802	20	30		FDEDRO
COC(=O)[C@H](C)CS(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000268356589	180061896	/nfs/dbraw/zinc/06/18/96/180061896.db2.gz	XBMYNTMOYCKGPA-CQSZACIVSA-N	1	0	367.471	1.061	20	30		FDEDRO
CO[C@@H]1[C@H]2C[C@H]3C[N@H+](CC#CCN4C(=O)c5ccccc5C4=O)[C@H]1[C@H]3C2	ZINC000528508596	539762994	/nfs/dbraw/zinc/76/29/94/539762994.db2.gz	QNORPOCOSYAJMU-BHHKEHIISA-N	1	0	350.418	1.641	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)NCC1(O)CC[NH+](C(C)C)CC1	ZINC000268546364	180111072	/nfs/dbraw/zinc/11/10/72/180111072.db2.gz	HRKWZMJWMXQHCW-UHFFFAOYSA-N	1	0	358.442	1.157	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)C(=O)N2CCc3ccc(C#N)cc32)CCCCC1	ZINC000270202856	180459337	/nfs/dbraw/zinc/45/93/37/180459337.db2.gz	PKNAZPRPRXLLMK-UHFFFAOYSA-N	1	0	354.454	1.828	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2	ZINC000530236306	539916628	/nfs/dbraw/zinc/91/66/28/539916628.db2.gz	RKNMWWOFNVWABJ-DFQSSKMNSA-N	1	0	371.481	1.531	20	30		FDEDRO
CN1C(=O)c2ccccc2[C@H]1C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1	ZINC000530240878	539918484	/nfs/dbraw/zinc/91/84/84/539918484.db2.gz	BHAAAOONQFRTBP-GOSISDBHSA-N	1	0	369.446	1.748	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCN(c2ccccc2)C1=O	ZINC000530229866	539914626	/nfs/dbraw/zinc/91/46/26/539914626.db2.gz	BAAWDPKHLVXULQ-MSOLQXFVSA-N	1	0	351.406	1.693	20	30		FDEDRO
CN(CC[N@H+](C)C1CC1)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000274552498	181120237	/nfs/dbraw/zinc/12/02/37/181120237.db2.gz	XWGMYWKSVXMFSF-GOSISDBHSA-N	1	0	369.469	1.789	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@@H]([NH2+]C2CCN(C(=O)C3CC3)CC2)C1=O	ZINC000530723279	540030542	/nfs/dbraw/zinc/03/05/42/540030542.db2.gz	KQSUNLMFHMTLKI-OAHLLOKOSA-N	1	0	358.467	1.716	20	30		FDEDRO
Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H]2CCCN(CC#N)C2)CC1	ZINC000530748385	540035030	/nfs/dbraw/zinc/03/50/30/540035030.db2.gz	VQKIBDZXQPELRP-QGZVFWFLSA-N	1	0	355.486	1.958	20	30		FDEDRO
CC[NH+]1CCN(CC(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)CC1	ZINC000530877123	540060148	/nfs/dbraw/zinc/06/01/48/540060148.db2.gz	DFQAUAVDOWAQQN-HNNXBMFYSA-N	1	0	370.375	1.904	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(N2C(=O)CNC2=O)c1	ZINC000531257592	540090562	/nfs/dbraw/zinc/09/05/62/540090562.db2.gz	SWKBBTSOQUIWQE-UHFFFAOYSA-N	1	0	372.429	1.442	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1	ZINC000546896455	542254028	/nfs/dbraw/zinc/25/40/28/542254028.db2.gz	XJGFXNZCMMPCDV-MRXNPFEDSA-N	1	0	356.474	1.517	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C	ZINC000275269239	181275654	/nfs/dbraw/zinc/27/56/54/181275654.db2.gz	SSOHQTIVVYWYSF-STQMWFEESA-N	1	0	360.458	1.122	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)CN1CCC([N@@H+](C)C[C@@H](C)O)CC1	ZINC000533411905	540243501	/nfs/dbraw/zinc/24/35/01/540243501.db2.gz	CQAICVXZAJUIPC-YLJYHZDGSA-N	1	0	362.514	1.932	20	30		FDEDRO
CCC(CC)[N@H+](CCOC)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000537038627	540677312	/nfs/dbraw/zinc/67/73/12/540677312.db2.gz	WKPWXLVDKMJEET-SFHVURJKSA-N	1	0	352.523	1.816	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)n(-c3ccccc3)n2)CC1	ZINC000537861858	540786271	/nfs/dbraw/zinc/78/62/71/540786271.db2.gz	GHRKQSIZSNZUMU-UHFFFAOYSA-N	1	0	367.453	1.886	20	30		FDEDRO
C=CC[C@H](CO)CNC(=O)NCc1ccccc1CN1CC[NH+](CC)CC1	ZINC000538184763	540822382	/nfs/dbraw/zinc/82/23/82/540822382.db2.gz	LKEUSDIXVJAWNS-SFHVURJKSA-N	1	0	374.529	1.808	20	30		FDEDRO
CCC[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1	ZINC000269048265	674105972	/nfs/dbraw/zinc/10/59/72/674105972.db2.gz	PGBGEXQUHAHRAK-PTJLRZKYSA-N	1	0	352.460	1.565	20	30		FDEDRO
Cn1cc(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)c(=O)n(C)c1=O	ZINC000538414907	540854691	/nfs/dbraw/zinc/85/46/91/540854691.db2.gz	PQTPXXVGAKPGAM-UHFFFAOYSA-N	1	0	368.437	1.435	20	30		FDEDRO
CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cccc(OCCCC#N)c1	ZINC000538763688	540889360	/nfs/dbraw/zinc/88/93/60/540889360.db2.gz	QSERAFLGJXAGBK-INIZCTEOSA-N	1	0	351.472	1.883	20	30		FDEDRO
C=CC[C@H](CO)C[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000539294953	540943492	/nfs/dbraw/zinc/94/34/92/540943492.db2.gz	NGFQOUQFRGURCY-INIZCTEOSA-N	1	0	352.500	1.922	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+]C[C@@H](O)COc3ccc4c(c3)OCO4)n2c1	ZINC000539473617	540963784	/nfs/dbraw/zinc/96/37/84/540963784.db2.gz	MTTMDKWRNCPXCX-OAHLLOKOSA-N	1	0	366.377	1.464	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCc1cccc(C[NH+](C)C)c1	ZINC000540966892	541126351	/nfs/dbraw/zinc/12/63/51/541126351.db2.gz	RHQVRGGFFNTVPF-UHFFFAOYSA-N	1	0	369.473	1.699	20	30		FDEDRO
CC[NH+](CC)CCOCCNS(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000542757335	541460516	/nfs/dbraw/zinc/46/05/16/541460516.db2.gz	HWZPQRSAAWJYOY-UHFFFAOYSA-N	1	0	359.879	1.848	20	30		FDEDRO
Cc1ccccc1[C@H](CO)[NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000542910750	541500621	/nfs/dbraw/zinc/50/06/21/541500621.db2.gz	ZAMPAWPIIBXOFB-OALUTQOASA-N	1	0	358.486	1.310	20	30		FDEDRO
C[N@H+](CC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCSC1	ZINC000543743888	541650660	/nfs/dbraw/zinc/65/06/60/541650660.db2.gz	NESPAKDRSTUDCA-IRXDYDNUSA-N	1	0	372.494	1.607	20	30		FDEDRO
CC[NH+](CC)CCOCCNC(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000544688606	541810870	/nfs/dbraw/zinc/81/08/70/541810870.db2.gz	IROCDVZPVCJDPK-UHFFFAOYSA-N	1	0	374.489	1.143	20	30		FDEDRO
C[N@@H+]1CCN(CCNS(=O)(=O)c2ccc(F)c(C#N)c2)CC1(C)C	ZINC000282385253	182002637	/nfs/dbraw/zinc/00/26/37/182002637.db2.gz	CRIPYIKIXNAFEQ-UHFFFAOYSA-N	1	0	354.451	1.002	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1	ZINC000282798320	182057781	/nfs/dbraw/zinc/05/77/81/182057781.db2.gz	QHUMZAXJPVWFRJ-UHFFFAOYSA-N	1	0	367.453	1.663	20	30		FDEDRO
CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cc(C#N)ccn1	ZINC000282924979	182078219	/nfs/dbraw/zinc/07/82/19/182078219.db2.gz	FNSPWHHFWCHRTE-INIZCTEOSA-N	1	0	358.442	1.833	20	30		FDEDRO
N#Cc1cccc(-n2ccc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)n2)c1	ZINC000282914265	182075776	/nfs/dbraw/zinc/07/57/76/182075776.db2.gz	XLEGSNUNEUNGPM-QGZVFWFLSA-N	1	0	353.426	1.321	20	30		FDEDRO
C[N@@H+]1CC[C@@](O)(CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000545176114	541892434	/nfs/dbraw/zinc/89/24/34/541892434.db2.gz	HAHVTKSWUDWDSF-MRXNPFEDSA-N	1	0	355.360	1.423	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CCCS(=O)(=O)c1ccccc1	ZINC000545223233	541907236	/nfs/dbraw/zinc/90/72/36/541907236.db2.gz	PLIHSSVZYKAPMA-UHFFFAOYSA-N	1	0	361.471	1.592	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(C#N)cc1	ZINC000284073076	182356277	/nfs/dbraw/zinc/35/62/77/182356277.db2.gz	RLVWGSKNMRWXLO-CVEARBPZSA-N	1	0	372.469	1.353	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](C)C1	ZINC000284142222	182377669	/nfs/dbraw/zinc/37/76/69/182377669.db2.gz	WRJAHAPGGNPHHQ-BZUAXINKSA-N	1	0	356.470	1.972	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1	ZINC000284172573	182387999	/nfs/dbraw/zinc/38/79/99/182387999.db2.gz	YWKUASRHSJGVJB-PMPSAXMXSA-N	1	0	356.470	1.972	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCC[NH+]1CCCCCC1	ZINC000545905201	542045977	/nfs/dbraw/zinc/04/59/77/542045977.db2.gz	DBZMYZJVNDDSGQ-UHFFFAOYSA-N	1	0	367.457	2.445	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)N(C)Cc1ccc(C#N)cc1)[NH+]1CCC(C)CC1	ZINC000286192441	183010263	/nfs/dbraw/zinc/01/02/63/183010263.db2.gz	KHJJLXYJKVUMHQ-MRXNPFEDSA-N	1	0	356.470	1.753	20	30		FDEDRO
CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(S(=O)(=O)c2cccc(C)c2C#N)C1	ZINC000286397468	183055694	/nfs/dbraw/zinc/05/56/94/183055694.db2.gz	NMIXNYLURNAZQN-HOTGVXAUSA-N	1	0	363.483	1.741	20	30		FDEDRO
CN(CCS(=O)(=O)CC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1	ZINC000287141368	183221142	/nfs/dbraw/zinc/22/11/42/183221142.db2.gz	HNWLGTVWIIXRMS-UHFFFAOYSA-N	1	0	352.456	1.747	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C	ZINC000546707219	542204888	/nfs/dbraw/zinc/20/48/88/542204888.db2.gz	CEQOHNPZNHNHPQ-KRWDZBQOSA-N	1	0	366.421	1.924	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(CCCNC(=O)c2cc(C#N)ccn2)CC1	ZINC000287373638	183275890	/nfs/dbraw/zinc/27/58/90/183275890.db2.gz	ZRJGLQQOEBNBRY-UHFFFAOYSA-N	1	0	373.457	1.626	20	30		FDEDRO
C[NH+](C)CCCN(C(=O)c1ccc(F)c(C#N)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000287470474	183300253	/nfs/dbraw/zinc/30/02/53/183300253.db2.gz	MIUXMOOZDQQBKS-OAHLLOKOSA-N	1	0	367.446	1.278	20	30		FDEDRO
CCC(CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)[NH+]1CCCC1	ZINC000292955415	183953538	/nfs/dbraw/zinc/95/35/38/183953538.db2.gz	FKNXBOVLZBHCBR-MRXNPFEDSA-N	1	0	357.458	1.909	20	30		FDEDRO
C[C@H]1C[C@H](S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CCO1	ZINC000295194270	184043923	/nfs/dbraw/zinc/04/39/23/184043923.db2.gz	LSDIXRYNVAFOJU-MAUKXSAKSA-N	1	0	365.499	1.819	20	30		FDEDRO
COC[C@]1(C(=O)OC)CC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000295224111	184047021	/nfs/dbraw/zinc/04/70/21/184047021.db2.gz	VZKQNEMYAMASBP-APWZRJJASA-N	1	0	357.410	1.175	20	30		FDEDRO
CC(C)(C[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1)C(N)=O	ZINC000295498781	184077715	/nfs/dbraw/zinc/07/77/15/184077715.db2.gz	HGDRBCHRWQUZRE-QGZVFWFLSA-N	1	0	356.470	1.788	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(c2ncc(C#N)cc2[N+](=O)[O-])CC1	ZINC000295709201	184097519	/nfs/dbraw/zinc/09/75/19/184097519.db2.gz	RNWRINBBVHPOCG-UHFFFAOYSA-N	1	0	363.418	1.425	20	30		FDEDRO
CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(=O)NCC[NH+](C)C)sc2C1	ZINC000296449935	184167834	/nfs/dbraw/zinc/16/78/34/184167834.db2.gz	FWZXWQMCQCZYCQ-GFCCVEGCSA-N	1	0	362.499	1.997	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1	ZINC000297756740	184323323	/nfs/dbraw/zinc/32/33/23/184323323.db2.gz	HWYIFUCTJJYKFB-ROUUACIJSA-N	1	0	354.454	1.459	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1	ZINC000297954707	184362758	/nfs/dbraw/zinc/36/27/58/184362758.db2.gz	GHPXSUQLYOFWGV-UHFFFAOYSA-N	1	0	368.437	1.700	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1	ZINC000547318700	542311431	/nfs/dbraw/zinc/31/14/31/542311431.db2.gz	RMZBPJLTBKYKTJ-UHFFFAOYSA-N	1	0	353.430	2.053	20	30		FDEDRO
C[C@@H]1C[C@H](C)C[N@@H+](CCCCNS(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000170663411	258264429	/nfs/dbraw/zinc/26/44/29/258264429.db2.gz	ABTGCGWZZVCOML-GASCZTMLSA-N	1	0	350.488	1.990	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)ccc1F	ZINC000170840243	258264972	/nfs/dbraw/zinc/26/49/72/258264972.db2.gz	IEDLKCFFIBRGCX-UHFFFAOYSA-N	1	0	358.417	1.970	20	30		FDEDRO
C[C@H](C(=O)Nc1ccccc1C#N)N1CC[NH+](CC2CCOCC2)CC1	ZINC000172427323	258276149	/nfs/dbraw/zinc/27/61/49/258276149.db2.gz	QXPPGSODEMRPJD-MRXNPFEDSA-N	1	0	356.470	1.929	20	30		FDEDRO
Cc1nc(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)ccc1C#N	ZINC000172754962	258284209	/nfs/dbraw/zinc/28/42/09/258284209.db2.gz	KEXCXLASYRXBKB-UHFFFAOYSA-N	1	0	355.486	1.942	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]C2CCN(c3ccccn3)CC2)c1	ZINC000549110889	542838479	/nfs/dbraw/zinc/83/84/79/542838479.db2.gz	CWKBOYSZUVJURC-UHFFFAOYSA-N	1	0	370.478	1.986	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H]2COc3ccccc3O2)c1	ZINC000549111210	542838533	/nfs/dbraw/zinc/83/85/33/542838533.db2.gz	UOGSMACJFUIRSP-OAHLLOKOSA-N	1	0	358.419	1.762	20	30		FDEDRO
N#CC1CCN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1	ZINC000550402116	543093177	/nfs/dbraw/zinc/09/31/77/543093177.db2.gz	LIUYZCWCAQLYHD-OAHLLOKOSA-N	1	0	360.483	1.763	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1	ZINC000550563973	543127427	/nfs/dbraw/zinc/12/74/27/543127427.db2.gz	AYUMEOCHMXLSFS-CRAIPNDOSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)C(C)C	ZINC000550632669	543138510	/nfs/dbraw/zinc/13/85/10/543138510.db2.gz	MSTISJHZZZAOAF-MRXNPFEDSA-N	1	0	355.442	1.707	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]Cc3ccc(CN4CCOCC4)cc3)cnc12	ZINC000550812224	543179803	/nfs/dbraw/zinc/17/98/03/543179803.db2.gz	FAPRQZAKEBFVMH-UHFFFAOYSA-N	1	0	362.437	1.723	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1	ZINC000551096458	543231565	/nfs/dbraw/zinc/23/15/65/543231565.db2.gz	FUJYLMCKVIDBSX-UHFFFAOYSA-N	1	0	361.511	1.586	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@H]1C(C)(C)O)C(C)C	ZINC000551222518	543254506	/nfs/dbraw/zinc/25/45/06/543254506.db2.gz	QGYPNGGJQOPTMU-SJORKVTESA-N	1	0	365.518	1.563	20	30		FDEDRO
C[C@H]1Cc2ccccc2N1C(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000551462485	543288276	/nfs/dbraw/zinc/28/82/76/543288276.db2.gz	GMLTYRWABGPUCZ-ZDUSSCGKSA-N	1	0	352.442	1.706	20	30		FDEDRO
C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C[C@@H](C)C1	ZINC000551693555	543323660	/nfs/dbraw/zinc/32/36/60/543323660.db2.gz	YZTFTIJVWFVLFY-AHIWAGSCSA-N	1	0	358.417	1.825	20	30		FDEDRO
N#Cc1ccc(CCC(=O)NCC(=O)NCC[NH+]2CCCCCC2)cc1	ZINC000552356593	543455747	/nfs/dbraw/zinc/45/57/47/543455747.db2.gz	CZFCMOCKVOVBNO-UHFFFAOYSA-N	1	0	356.470	1.599	20	30		FDEDRO
C=CC[C@@H]1N(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2CCOC)CCCC1(C)C	ZINC000552939306	543539060	/nfs/dbraw/zinc/53/90/60/543539060.db2.gz	GCYAHJKRCAWPAC-IRXDYDNUSA-N	1	0	365.518	1.807	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000069805131	172033123	/nfs/dbraw/zinc/03/31/23/172033123.db2.gz	MXZHGEJEZKFXBZ-SJLPKXTDSA-N	1	0	356.470	1.929	20	30		FDEDRO
CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000077616420	172130374	/nfs/dbraw/zinc/13/03/74/172130374.db2.gz	CVHMNHVQIOLBMU-HNNXBMFYSA-N	1	0	350.488	1.110	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)N2CC[NH+](C3CCOCC3)CC2)cc1	ZINC000083234052	172204646	/nfs/dbraw/zinc/20/46/46/172204646.db2.gz	LRHVEHKPENXLOS-UHFFFAOYSA-N	1	0	358.442	1.443	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1	ZINC000091209731	172277910	/nfs/dbraw/zinc/27/79/10/172277910.db2.gz	GSZDORCAXQKYQX-CYBMUJFWSA-N	1	0	360.462	1.296	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)[NH+]1CCC(C)CC1	ZINC000091213489	172278149	/nfs/dbraw/zinc/27/81/49/172278149.db2.gz	HQZVRQRIYMLCKZ-CQSZACIVSA-N	1	0	374.489	1.685	20	30		FDEDRO
CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000091226227	172278715	/nfs/dbraw/zinc/27/87/15/172278715.db2.gz	PIUOHVKGEIPNEF-HNNXBMFYSA-N	1	0	374.489	1.829	20	30		FDEDRO
CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1	ZINC000091242440	172281316	/nfs/dbraw/zinc/28/13/16/172281316.db2.gz	BDPKMHDNMUOCQR-ZDUSSCGKSA-N	1	0	360.462	1.248	20	30		FDEDRO
C[NH+]1CCC(CCNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1	ZINC000102640446	172352970	/nfs/dbraw/zinc/35/29/70/172352970.db2.gz	OIFLBVJVJQAJSB-UHFFFAOYSA-N	1	0	363.483	1.321	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1	ZINC000127418259	173075961	/nfs/dbraw/zinc/07/59/61/173075961.db2.gz	XUQZZUCWJHGSHI-ZWKOTPCHSA-N	1	0	370.453	1.381	20	30		FDEDRO
CCS(=O)(=O)CCN(C)CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000128288287	173105042	/nfs/dbraw/zinc/10/50/42/173105042.db2.gz	JTEWEJVUAXOIDJ-UHFFFAOYSA-N	1	0	357.863	1.907	20	30		FDEDRO
C[C@@H]1C[C@H](CNc2c(C#N)c(=O)n(C)c(=O)n2C)C[N@@H+]1Cc1ccccc1	ZINC000128312209	173105975	/nfs/dbraw/zinc/10/59/75/173105975.db2.gz	GAKWJVIYMRMBEV-GDBMZVCRSA-N	1	0	367.453	1.278	20	30		FDEDRO
N#Cc1ccc(Cl)cc1NC(=O)CN1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000129607357	173144707	/nfs/dbraw/zinc/14/47/07/173144707.db2.gz	ZLKMJFJYYRQGAQ-AWEZNQCLSA-N	1	0	362.861	1.804	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC1	ZINC000156437734	173587391	/nfs/dbraw/zinc/58/73/91/173587391.db2.gz	WJODYDWFAISUNU-OAHLLOKOSA-N	1	0	371.489	1.441	20	30		FDEDRO
CC[C@@H]1CN([C@@H]2CCN(c3sccc3C#N)C2=O)CC[N@@H+]1C[C@@H](C)O	ZINC000177054197	174104350	/nfs/dbraw/zinc/10/43/50/174104350.db2.gz	XYYYPHXJNPPOAP-FVQBIDKESA-N	1	0	362.499	1.502	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+]CC3(C(N)=O)CCOCC3)CC2)cc1	ZINC000181484698	174228316	/nfs/dbraw/zinc/22/83/16/174228316.db2.gz	TTZTYGWRUKKNBJ-UHFFFAOYSA-N	1	0	356.470	1.394	20	30		FDEDRO
CC[C@H](CO)[NH+]1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC1	ZINC000179410846	258350170	/nfs/dbraw/zinc/35/01/70/258350170.db2.gz	RYQLJJRDSKIDRO-QGZVFWFLSA-N	1	0	372.469	1.582	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000180180102	258363601	/nfs/dbraw/zinc/36/36/01/258363601.db2.gz	QRTZSPIDSDTBJL-INIZCTEOSA-N	1	0	352.486	1.684	20	30		FDEDRO
N#Cc1ccc(Cl)cc1NC(=O)CN1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000178822409	258336322	/nfs/dbraw/zinc/33/63/22/258336322.db2.gz	FAWMSLJEAQRHGQ-AWEZNQCLSA-N	1	0	362.861	1.804	20	30		FDEDRO
C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(c2nccc(C#N)c2Cl)C1	ZINC000553212099	543588538	/nfs/dbraw/zinc/58/85/38/543588538.db2.gz	PLOOQGQYOGIPJV-GFCCVEGCSA-N	1	0	359.821	1.395	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)c2ccc(F)cc2F)CC1	ZINC000553328545	543609765	/nfs/dbraw/zinc/60/97/65/543609765.db2.gz	VWZRBWBJYUYUIP-ZDUSSCGKSA-N	1	0	365.424	1.951	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCC2CCC(OC)CC2)CC1	ZINC000553669439	543677800	/nfs/dbraw/zinc/67/78/00/543677800.db2.gz	SILONHXRKSPXQU-UHFFFAOYSA-N	1	0	351.491	1.465	20	30		FDEDRO
COC1CC[NH+](C2(CNS(=O)(=O)c3ccc(C#N)o3)CCCC2)CC1	ZINC000553820459	543701063	/nfs/dbraw/zinc/70/10/63/543701063.db2.gz	XUOMEJNRECSZBA-UHFFFAOYSA-N	1	0	367.471	1.853	20	30		FDEDRO
CC[NH+](CC)CCNS(=O)(=O)c1cccc(Br)c1C#N	ZINC000553848824	543704852	/nfs/dbraw/zinc/70/48/52/543704852.db2.gz	QYSIHMVTJODKCP-UHFFFAOYSA-N	1	0	360.277	1.941	20	30		FDEDRO
CC(=O)NCC[N@H+](CC(=O)NCc1ccc(C#N)cc1)C1CCSCC1	ZINC000555071502	543909106	/nfs/dbraw/zinc/90/91/06/543909106.db2.gz	VDTYITBRZVRAHF-UHFFFAOYSA-N	1	0	374.510	1.508	20	30		FDEDRO
C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)C2)C1	ZINC000555405522	543952797	/nfs/dbraw/zinc/95/27/97/543952797.db2.gz	JMJCTUPPTWRDGF-KRWDZBQOSA-N	1	0	351.447	1.945	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCC[C@@H](O)CC2)CC1	ZINC000555774043	544026236	/nfs/dbraw/zinc/02/62/36/544026236.db2.gz	MSOWCCYDTHRJSS-HZPDHXFCSA-N	1	0	362.499	1.304	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCCO[C@H](CC)C1)C(C)C	ZINC000556207942	544118225	/nfs/dbraw/zinc/11/82/25/544118225.db2.gz	PBHJFRBGEYBUEZ-QZTJIDSGSA-N	1	0	365.518	1.829	20	30		FDEDRO
C[C@@H](NC(=O)c1ccc(Cl)c(C#N)c1)C(=O)NCC[NH+]1CCCCC1	ZINC000556819480	544207803	/nfs/dbraw/zinc/20/78/03/544207803.db2.gz	BDNWVIXOGQNLGW-CYBMUJFWSA-N	1	0	362.861	1.932	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H](CCOC)C2)CC1	ZINC000557768091	544343954	/nfs/dbraw/zinc/34/39/54/544343954.db2.gz	FIKGRSALYGLADP-QGZVFWFLSA-N	1	0	365.518	1.808	20	30		FDEDRO
CC[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(C#N)cc1	ZINC000558253475	544405031	/nfs/dbraw/zinc/40/50/31/544405031.db2.gz	CHANFMOMLSDFQN-SJORKVTESA-N	1	0	350.488	1.870	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CCSC1	ZINC000558077569	544381175	/nfs/dbraw/zinc/38/11/75/544381175.db2.gz	URCNXHCMSDMCRE-INIZCTEOSA-N	1	0	360.483	1.070	20	30		FDEDRO
COC(=O)c1cccc(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)c1C#N	ZINC000558626998	544484908	/nfs/dbraw/zinc/48/49/08/544484908.db2.gz	MPEJGVSSCJAQKA-INIZCTEOSA-N	1	0	357.454	1.889	20	30		FDEDRO
N#Cc1cccc(NC(=O)C2CC[NH+](CCCC(=O)NC(N)=O)CC2)c1	ZINC000299660637	259014542	/nfs/dbraw/zinc/01/45/42/259014542.db2.gz	RNRPNEIFXPMKRB-UHFFFAOYSA-N	1	0	357.414	1.184	20	30		FDEDRO
N#Cc1cccc(-c2nnc(CN3CC[NH+](C[C@@H]4CCOC4)CC3)o2)c1	ZINC000330256743	259135716	/nfs/dbraw/zinc/13/57/16/259135716.db2.gz	KWNZGBZXYDPVKD-INIZCTEOSA-N	1	0	353.426	1.762	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC[C@H]1[NH3+]	ZINC000332539404	259275079	/nfs/dbraw/zinc/27/50/79/259275079.db2.gz	KISBFVLESMBILK-KBXCAEBGSA-N	1	0	352.438	1.370	20	30		FDEDRO
CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000332649256	259285853	/nfs/dbraw/zinc/28/58/53/259285853.db2.gz	SZRVNUVVALPXIY-OLZOCXBDSA-N	1	0	364.427	1.714	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C[C@@H]21	ZINC000333154243	259315992	/nfs/dbraw/zinc/31/59/92/259315992.db2.gz	IGSMFJJEVCRGQG-SQNIBIBYSA-N	1	0	367.453	1.005	20	30		FDEDRO
CN1CCO[C@H](CN(CC2CC2)S(=O)(=O)c2ccc(C#N)s2)C1	ZINC000333190891	259321033	/nfs/dbraw/zinc/32/10/33/259321033.db2.gz	VUUYQYOOXKJKNX-ZDUSSCGKSA-N	1	0	355.485	1.351	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)C2=O)cc1	ZINC000333500673	259354553	/nfs/dbraw/zinc/35/45/53/259354553.db2.gz	DIKIYGJNHIKQGL-RANZSIQMSA-N	1	0	367.453	1.432	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000333562344	259359917	/nfs/dbraw/zinc/35/99/17/259359917.db2.gz	LMWDFJZNZPXXAN-KBRIMQKVSA-N	1	0	355.442	1.351	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1	ZINC000333914296	259393488	/nfs/dbraw/zinc/39/34/88/259393488.db2.gz	MJLROFMONPBLDM-VAMGGRTRSA-N	1	0	367.497	1.774	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)nc1	ZINC000333917588	259393505	/nfs/dbraw/zinc/39/35/05/259393505.db2.gz	NWBJKJMOVLVPJV-YESZJQIVSA-N	1	0	354.458	1.173	20	30		FDEDRO
C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H]1COc2ccccc21	ZINC000368561806	260202479	/nfs/dbraw/zinc/20/24/79/260202479.db2.gz	NFFGQJMLADVVQF-CJNGLKHVSA-N	1	0	357.435	1.881	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2CCC([C@H](O)c3ncc[nH]3)CC2)ccc1F	ZINC000369176012	260307184	/nfs/dbraw/zinc/30/71/84/260307184.db2.gz	YIRBIVIKPVDDHH-HNNXBMFYSA-N	1	0	364.402	1.555	20	30		FDEDRO
Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2CC(=O)NCc2cccc(C#N)c2)cn1	ZINC000369228407	260316883	/nfs/dbraw/zinc/31/68/83/260316883.db2.gz	QWQTWUJPRUYMQM-OALUTQOASA-N	1	0	367.453	1.496	20	30		FDEDRO
COc1cccc(CNC(=O)[C@H](C)[NH+]2CCC(n3cnc(C#N)n3)CC2)c1	ZINC000373413927	261008736	/nfs/dbraw/zinc/00/87/36/261008736.db2.gz	UIEUMSOXWKKXPT-AWEZNQCLSA-N	1	0	368.441	1.500	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)o1	ZINC000373476269	261013759	/nfs/dbraw/zinc/01/37/59/261013759.db2.gz	VJUGOIYJPMNJGV-JKSUJKDBSA-N	1	0	373.457	1.051	20	30		FDEDRO
N#Cc1ccc(C2=CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1	ZINC000374307715	261107847	/nfs/dbraw/zinc/10/78/47/261107847.db2.gz	IFIZSBQMZKHAGU-SFHVURJKSA-N	1	0	353.382	1.813	20	30		FDEDRO
N#Cc1ccc(C2=CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1	ZINC000374307712	261108360	/nfs/dbraw/zinc/10/83/60/261108360.db2.gz	IFIZSBQMZKHAGU-GOSISDBHSA-N	1	0	353.382	1.813	20	30		FDEDRO
CN(C)c1noc([C@@H]2CCC[N@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)n1	ZINC000374532762	261149072	/nfs/dbraw/zinc/14/90/72/261149072.db2.gz	ZYSDCWYTQLXSQA-CVEARBPZSA-N	1	0	371.441	1.627	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1	ZINC000375064599	261260724	/nfs/dbraw/zinc/26/07/24/261260724.db2.gz	JELOSJRJWNIWQR-CRAIPNDOSA-N	1	0	366.469	1.703	20	30		FDEDRO
Cc1sc(NC(=O)CN2CCC[N@@H+]([C@H](C)CO)CC2)c(C#N)c1C	ZINC000375502030	261355258	/nfs/dbraw/zinc/35/52/58/261355258.db2.gz	PNSLYXDKQRVDLZ-GFCCVEGCSA-N	1	0	350.488	1.564	20	30		FDEDRO
N#Cc1ccc(S(N)(=O)=O)cc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1	ZINC000376402423	261558803	/nfs/dbraw/zinc/55/88/03/261558803.db2.gz	IMIFZJUUSYQJKP-WMLDXEAASA-N	1	0	360.483	1.659	20	30		FDEDRO
CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@@H](C)n1cnc(C#N)n1	ZINC000409461025	262122569	/nfs/dbraw/zinc/12/25/69/262122569.db2.gz	MEVBKVIULCBECS-OAHLLOKOSA-N	1	0	370.457	1.748	20	30		FDEDRO
Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H](C)n2cnc(C#N)n2)CC1	ZINC000409467586	262123022	/nfs/dbraw/zinc/12/30/22/262123022.db2.gz	CEDXWLROESJDNQ-OAHLLOKOSA-N	1	0	352.442	1.800	20	30		FDEDRO
Cc1ccc([C@@H](CNC(=O)[C@@H](C)n2cnc(C#N)n2)[NH+]2CCCC2)cc1	ZINC000409605762	262128845	/nfs/dbraw/zinc/12/88/45/262128845.db2.gz	AHQPNWDOFYZPJR-NVXWUHKLSA-N	1	0	352.442	1.973	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1	ZINC000972085854	782044737	/nfs/dbraw/zinc/04/47/37/782044737.db2.gz	DCVZXUKFCJJSEH-CEXWTWQISA-N	1	0	357.498	1.722	20	30		FDEDRO
CC(C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1)[NH+]1CCCC1	ZINC000972088978	782054901	/nfs/dbraw/zinc/05/49/01/782054901.db2.gz	SNUXOJKTLJDMBH-QWFCFKBJSA-N	1	0	357.498	1.580	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCCC2)nn1CCC#N	ZINC000477855857	489993770	/nfs/dbraw/zinc/99/37/70/489993770.db2.gz	HZXINIJJUMRLFR-AWEZNQCLSA-N	1	0	360.462	1.424	20	30		FDEDRO
CC[C@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)c1ccco1	ZINC000506975081	490159242	/nfs/dbraw/zinc/15/92/42/490159242.db2.gz	SORIQIABCXPPGD-KBPBESRZSA-N	1	0	372.429	1.574	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)Nc3ccn(CC[NH+](C)C)n3)cc2C1=O	ZINC000523447096	490465511	/nfs/dbraw/zinc/46/55/11/490465511.db2.gz	HNGQPWFZINROMD-UHFFFAOYSA-N	1	0	367.409	1.479	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C[C@H]1C	ZINC000505047542	490817841	/nfs/dbraw/zinc/81/78/41/490817841.db2.gz	GLNIDQOUROTSST-UKRRQHHQSA-N	1	0	360.462	1.375	20	30		FDEDRO
CC[N@H+](C)CCNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1	ZINC000542074634	490884502	/nfs/dbraw/zinc/88/45/02/490884502.db2.gz	YKSCBOYMNUDIJF-UHFFFAOYSA-N	1	0	374.832	1.404	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)nn1CCC#N	ZINC000542357752	490893861	/nfs/dbraw/zinc/89/38/61/490893861.db2.gz	SHLWEDDTJKBSLB-CQSZACIVSA-N	1	0	360.462	1.424	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1	ZINC000014528483	518693474	/nfs/dbraw/zinc/69/34/74/518693474.db2.gz	UXEPNPLKMIGSAC-UHFFFAOYSA-N	1	0	363.483	1.508	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)CN3CCCCCC3=O)CC2)cc1	ZINC000023451229	518954248	/nfs/dbraw/zinc/95/42/48/518954248.db2.gz	WPVMZGFUZJCTPD-UHFFFAOYSA-N	1	0	368.481	1.995	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2ccccc2)CC1	ZINC000024738748	519012006	/nfs/dbraw/zinc/01/20/06/519012006.db2.gz	RVXNPQCKWBZIHQ-CQSZACIVSA-N	1	0	358.442	1.737	20	30		FDEDRO
CNC(=O)c1ccc(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)cc1	ZINC000028920172	519256851	/nfs/dbraw/zinc/25/68/51/519256851.db2.gz	YDZFRZUWUAZBGO-GOSISDBHSA-N	1	0	353.422	1.642	20	30		FDEDRO
C[NH+](C)CCCNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000042921544	521798689	/nfs/dbraw/zinc/79/86/89/521798689.db2.gz	HLGLRIVVMZBYHK-UHFFFAOYSA-N	1	0	372.429	1.590	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1nc2ncccn2n1	ZINC000044566571	521966827	/nfs/dbraw/zinc/96/68/27/521966827.db2.gz	YUTBETAYPKJFHX-UHFFFAOYSA-N	1	0	363.425	1.129	20	30		FDEDRO
C[C@@H](Sc1nncn1C)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000045785591	522155896	/nfs/dbraw/zinc/15/58/96/522155896.db2.gz	NEXQAMBGNPOXRT-CQSZACIVSA-N	1	0	372.498	1.758	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)[N@@H+]1CCC[C@H](C)C1	ZINC000046348716	522281981	/nfs/dbraw/zinc/28/19/81/522281981.db2.gz	FGSHNXCAZVIFSL-IRXDYDNUSA-N	1	0	370.501	1.905	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)NCC[NH+]2CCC(C)CC2)c1	ZINC000046955613	522400369	/nfs/dbraw/zinc/40/03/69/522400369.db2.gz	LETZFUCPHZAJQC-UHFFFAOYSA-N	1	0	363.483	1.060	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(CC(=O)N2CCCC2)CC1	ZINC000061050873	522437757	/nfs/dbraw/zinc/43/77/57/522437757.db2.gz	GEHAPCJTUPHTKX-AWEZNQCLSA-N	1	0	350.463	1.111	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)NCC#Cc3ccccc3)cn2)CC1	ZINC000061658949	522485375	/nfs/dbraw/zinc/48/53/75/522485375.db2.gz	ZVERNYLNOANSGY-UHFFFAOYSA-N	1	0	363.465	1.684	20	30		FDEDRO
CC(C)[N@H+](C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000063466288	522593226	/nfs/dbraw/zinc/59/32/26/522593226.db2.gz	XZUHOFDCNFVVMS-UHFFFAOYSA-N	1	0	357.414	1.795	20	30		FDEDRO
C[NH+]=C(NCCS(C)(=O)=O)N(C)Cc1ccccc1Br	ZINC000073742456	522600089	/nfs/dbraw/zinc/60/00/89/522600089.db2.gz	WVTVMMSYYWERQG-UHFFFAOYSA-N	1	0	362.293	1.501	20	30		FDEDRO
CC(=O)N1CCC[C@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)C1	ZINC000065931011	522921203	/nfs/dbraw/zinc/92/12/03/522921203.db2.gz	BJWXNAYFADKFRJ-IBGZPJMESA-N	1	0	356.470	1.707	20	30		FDEDRO
CC[C@@H](C)[N@H+](C)CCNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1	ZINC000066126402	522961669	/nfs/dbraw/zinc/96/16/69/522961669.db2.gz	AXOOHFOQVLFYLI-CQSZACIVSA-N	1	0	366.487	1.025	20	30		FDEDRO
C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1	ZINC000076297953	523071792	/nfs/dbraw/zinc/07/17/92/523071792.db2.gz	OIBCKMWFIMLZKI-MRXNPFEDSA-N	1	0	374.485	1.332	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)c1	ZINC000076314941	523075342	/nfs/dbraw/zinc/07/53/42/523075342.db2.gz	PZZMOBYDWXUXIZ-IBGZPJMESA-N	1	0	357.454	1.516	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NC2CC[NH+](CCC)CC2)cc1	ZINC000076316991	523077507	/nfs/dbraw/zinc/07/75/07/523077507.db2.gz	WSQBBMOLMICKCW-UHFFFAOYSA-N	1	0	372.469	1.532	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC(C[NH+]2CCOCC2)CC1	ZINC000051958185	523097578	/nfs/dbraw/zinc/09/75/78/523097578.db2.gz	BBCYPFFQRXTLFX-QGZVFWFLSA-N	1	0	362.518	1.762	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1	ZINC000076526279	523130021	/nfs/dbraw/zinc/13/00/21/523130021.db2.gz	KRKFRFRYLLAJJA-UHFFFAOYSA-N	1	0	370.453	1.284	20	30		FDEDRO
C=CCCC[N@@H+](C)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000076736035	523179406	/nfs/dbraw/zinc/17/94/06/523179406.db2.gz	GEDIATSUQNKESF-UHFFFAOYSA-N	1	0	368.499	1.984	20	30		FDEDRO
CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1C#N	ZINC000076745414	523182118	/nfs/dbraw/zinc/18/21/18/523182118.db2.gz	JIKZHHFSPVJECK-OAHLLOKOSA-N	1	0	364.471	1.291	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@H](C1CC1)[NH+](C)C	ZINC000076925607	523205494	/nfs/dbraw/zinc/20/54/94/523205494.db2.gz	LZMLIKWMJQSZPG-QGZVFWFLSA-N	1	0	354.458	1.607	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1	ZINC000076965357	523219477	/nfs/dbraw/zinc/21/94/77/523219477.db2.gz	RRUCOXHOECYQBQ-IAGOWNOFSA-N	1	0	362.518	1.965	20	30		FDEDRO
CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1ccc(C#N)cc1C	ZINC000077390000	523321421	/nfs/dbraw/zinc/32/14/21/523321421.db2.gz	LZUKDOVFOXUMKG-UHFFFAOYSA-N	1	0	353.488	1.846	20	30		FDEDRO
Cn1c(NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)c(C#N)c(=O)n(C)c1=O	ZINC000067373404	523411639	/nfs/dbraw/zinc/41/16/39/523411639.db2.gz	HKWHBPXTGUBELP-HNNXBMFYSA-N	1	0	359.474	1.412	20	30		FDEDRO
C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)C1	ZINC000077698297	523419727	/nfs/dbraw/zinc/41/97/27/523419727.db2.gz	PZIPSLJWFRHOIW-OAHLLOKOSA-N	1	0	370.457	1.763	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000067391013	523421180	/nfs/dbraw/zinc/42/11/80/523421180.db2.gz	RKDAKNDLNPWUTO-UHFFFAOYSA-N	1	0	374.489	1.190	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1	ZINC000077731216	523435232	/nfs/dbraw/zinc/43/52/32/523435232.db2.gz	SIEQUQMQDOSGSW-LJQANCHMSA-N	1	0	362.433	1.630	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCc2ccc(Cn3cncn3)cc2)cc1	ZINC000077754339	523448205	/nfs/dbraw/zinc/44/82/05/523448205.db2.gz	AEWWMVWWAMJWEH-UHFFFAOYSA-N	1	0	364.453	1.982	20	30		FDEDRO
C[NH+]1CCN(CCNC(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1	ZINC000068253783	523743049	/nfs/dbraw/zinc/74/30/49/523743049.db2.gz	KBTKGGIFEQCEHW-UHFFFAOYSA-N	1	0	371.485	1.077	20	30		FDEDRO
CC(C)C[NH+]1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1	ZINC000068322288	523758963	/nfs/dbraw/zinc/75/89/63/523758963.db2.gz	MOGLZKZRBQXCLZ-UHFFFAOYSA-N	1	0	366.469	1.956	20	30		FDEDRO
Cc1nc(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)ccc1C#N	ZINC000079644726	523777859	/nfs/dbraw/zinc/77/78/59/523777859.db2.gz	DEXHQQWINUZURU-UHFFFAOYSA-N	1	0	371.485	1.618	20	30		FDEDRO
COc1ccc(CNC(=O)CO[NH+]=C(N)c2ccc(N(C)C)cc2)cc1	ZINC000079863466	523798820	/nfs/dbraw/zinc/79/88/20/523798820.db2.gz	CAGNBTWXKMPPLO-UHFFFAOYSA-N	1	0	356.426	1.715	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2cc(C#N)ccc2C)C1	ZINC000080795053	523907259	/nfs/dbraw/zinc/90/72/59/523907259.db2.gz	SXHQKWLJYJPLJW-QGZVFWFLSA-N	1	0	365.499	1.988	20	30		FDEDRO
C=CCNc1ncc(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)s1	ZINC000136245623	524191216	/nfs/dbraw/zinc/19/12/16/524191216.db2.gz	MVCNQGXRYKVTGV-ZDUSSCGKSA-N	1	0	365.503	1.414	20	30		FDEDRO
O=C(C#Cc1ccc2c(c1)OCO2)NC1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000136290341	524193951	/nfs/dbraw/zinc/19/39/51/524193951.db2.gz	CNRKNMWNJQRSRJ-MRXNPFEDSA-N	1	0	356.422	1.384	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000157091365	524207936	/nfs/dbraw/zinc/20/79/36/524207936.db2.gz	RVNQNYGJWZNCIX-CRAIPNDOSA-N	1	0	364.453	1.882	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1	ZINC000111241508	524233101	/nfs/dbraw/zinc/23/31/01/524233101.db2.gz	VIEUFAZZUXFBMK-UHFFFAOYSA-N	1	0	362.518	1.063	20	30		FDEDRO
N#CCCn1ccc(NC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)n1	ZINC000086449225	524391486	/nfs/dbraw/zinc/39/14/86/524391486.db2.gz	IYIOTCFORMGLDS-UHFFFAOYSA-N	1	0	358.446	1.212	20	30		FDEDRO
C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000086450019	524392887	/nfs/dbraw/zinc/39/28/87/524392887.db2.gz	ZJHOFWZMFZNYLV-QLFBSQMISA-N	1	0	360.462	1.218	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)CC1	ZINC000112111648	524405553	/nfs/dbraw/zinc/40/55/53/524405553.db2.gz	RGANYCKAKJWXPP-ZDUSSCGKSA-N	1	0	362.396	1.489	20	30		FDEDRO
N#C[C@H]1CN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCO1	ZINC000112217021	524428819	/nfs/dbraw/zinc/42/88/19/524428819.db2.gz	BYCZRRAXXCRBBJ-HNNXBMFYSA-N	1	0	352.504	1.672	20	30		FDEDRO
N#CCc1ccc(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1	ZINC000112219188	524429815	/nfs/dbraw/zinc/42/98/15/524429815.db2.gz	KSJIOZRWLKGWMJ-KRWDZBQOSA-N	1	0	370.453	1.262	20	30		FDEDRO
C[NH+]=C(NCc1cnc(N(C)C)n1C)N[C@@H]1CCCN(c2ccccc2)C1	ZINC000088240042	524440564	/nfs/dbraw/zinc/44/05/64/524440564.db2.gz	GOEPHFKZELSYRM-MRXNPFEDSA-N	1	0	369.517	1.820	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)C(=O)CCC2	ZINC000122084970	524447875	/nfs/dbraw/zinc/44/78/75/524447875.db2.gz	UCJNAYCXWJJVRP-UHFFFAOYSA-N	1	0	370.453	1.838	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(OC(F)F)cc1	ZINC000122092407	524448702	/nfs/dbraw/zinc/44/87/02/524448702.db2.gz	XZBAGUKYXQRANI-UHFFFAOYSA-N	1	0	368.384	1.920	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCc2n[nH]cc2C1	ZINC000122110972	524453961	/nfs/dbraw/zinc/45/39/61/524453961.db2.gz	LNQIIXWNUCSWLW-GOSISDBHSA-N	1	0	366.469	1.912	20	30		FDEDRO
Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000122163940	524465684	/nfs/dbraw/zinc/46/56/84/524465684.db2.gz	PRQBRORGHNWCGU-UHFFFAOYSA-N	1	0	373.501	1.689	20	30		FDEDRO
CC(C)C[C@H](CCO)CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000089120971	524477003	/nfs/dbraw/zinc/47/70/03/524477003.db2.gz	FHLZCTSKLLLBDA-HOTGVXAUSA-N	1	0	368.522	1.912	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NC[C@H]1CCN(c2cc(OC)cc(OC)c2)C1	ZINC000089121044	524477063	/nfs/dbraw/zinc/47/70/63/524477063.db2.gz	GLZYMTMXOANQSZ-ZIAGYGMSSA-N	1	0	350.463	1.469	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)n1	ZINC000122225480	524483203	/nfs/dbraw/zinc/48/32/03/524483203.db2.gz	FORMHUKWIMCQIT-UKRRQHHQSA-N	1	0	358.446	1.217	20	30		FDEDRO
C[NH+]=C(NCc1ccc(C)c(OC)c1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158600549	524497936	/nfs/dbraw/zinc/49/79/36/524497936.db2.gz	BIRZXTDDABHVEJ-UHFFFAOYSA-N	1	0	353.488	1.588	20	30		FDEDRO
C=CCC[C@@H](O)C[N@H+]1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000122283573	524498016	/nfs/dbraw/zinc/49/80/16/524498016.db2.gz	INQLRBGIOGMSID-MRXNPFEDSA-N	1	0	368.499	1.719	20	30		FDEDRO
Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)CC2	ZINC000174084307	524513478	/nfs/dbraw/zinc/51/34/78/524513478.db2.gz	QOLKEBYIWCJSEO-HOCLYGCPSA-N	1	0	352.442	1.826	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CCc2ccccc2C(=O)OC)c1C#N	ZINC000089674337	524518297	/nfs/dbraw/zinc/51/82/97/524518297.db2.gz	NFJATGIBNSKYFR-UHFFFAOYSA-N	1	0	369.425	1.791	20	30		FDEDRO
CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1	ZINC000122396632	524525048	/nfs/dbraw/zinc/52/50/48/524525048.db2.gz	ILGNJGAGIHTFMM-LBPRGKRZSA-N	1	0	352.416	1.571	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H](N2CCN(c3cc[nH+]cc3)CC2)C1=O	ZINC000151337007	524555647	/nfs/dbraw/zinc/55/56/47/524555647.db2.gz	ZBERHNKOQVIZFJ-INIZCTEOSA-N	1	0	353.451	1.942	20	30		FDEDRO
C#CCCCCNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1	ZINC000159117212	524597903	/nfs/dbraw/zinc/59/79/03/524597903.db2.gz	ILCRKFPIFNPGGP-UHFFFAOYSA-N	1	0	372.425	1.014	20	30		FDEDRO
C=CCCOCCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000122725894	524603026	/nfs/dbraw/zinc/60/30/26/524603026.db2.gz	RQMHMFUCCUACIE-RTBURBONSA-N	1	0	361.486	1.761	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)n1	ZINC000091189119	524650935	/nfs/dbraw/zinc/65/09/35/524650935.db2.gz	VZUCGBUQDZPMDO-INIZCTEOSA-N	1	0	368.441	1.693	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)n1	ZINC000091209979	524662669	/nfs/dbraw/zinc/66/26/69/524662669.db2.gz	GIHWAHCDOJYILR-UONOGXRCSA-N	1	0	360.462	1.511	20	30		FDEDRO
CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000151712910	524662896	/nfs/dbraw/zinc/66/28/96/524662896.db2.gz	DRGAYVRYYWXMOF-KRWDZBQOSA-N	1	0	374.485	1.899	20	30		FDEDRO
C[C@H](CC#N)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1	ZINC000123075661	524674162	/nfs/dbraw/zinc/67/41/62/524674162.db2.gz	RSKUKTOEEPRGPW-CQSZACIVSA-N	1	0	360.483	1.635	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)NCc2ccc(OCC#N)cc2)CC1	ZINC000174659120	524679061	/nfs/dbraw/zinc/67/90/61/524679061.db2.gz	UGSBTFAOOJKTFJ-QGZVFWFLSA-N	1	0	373.501	1.662	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCC(OC(C)(C)C)CC2)CC1	ZINC000091591801	524732853	/nfs/dbraw/zinc/73/28/53/524732853.db2.gz	FMQUWUCWQLHWTM-SFHVURJKSA-N	1	0	364.534	1.958	20	30		FDEDRO
CN(CCCN1CC[NH+](C)CC1)C(=O)C(C)(C)Oc1ccc(C#N)cc1	ZINC000123400085	524745528	/nfs/dbraw/zinc/74/55/28/524745528.db2.gz	ITSAFXJJBIGALH-UHFFFAOYSA-N	1	0	358.486	1.812	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](CCO)C2CCCCC2)CC1	ZINC000091632278	524749279	/nfs/dbraw/zinc/74/92/79/524749279.db2.gz	JXCDUCBONFPBES-SFHVURJKSA-N	1	0	350.507	1.306	20	30		FDEDRO
CS(=O)(=O)NC1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1	ZINC000123462233	524755622	/nfs/dbraw/zinc/75/56/22/524755622.db2.gz	DIUNCZAESQPNCR-UHFFFAOYSA-N	1	0	351.472	1.883	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1	ZINC000174842403	524756847	/nfs/dbraw/zinc/75/68/47/524756847.db2.gz	RZHIUWDXESDJKT-KRWDZBQOSA-N	1	0	360.502	1.934	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(OCC(F)F)nc2)c1C#N	ZINC000160123445	524814364	/nfs/dbraw/zinc/81/43/64/524814364.db2.gz	PSPDJYWTOCEJOI-UHFFFAOYSA-N	1	0	364.356	1.725	20	30		FDEDRO
CC[N@H+](CCNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)C1CC1	ZINC000114594080	524839042	/nfs/dbraw/zinc/83/90/42/524839042.db2.gz	XAFUQQRUSWMVQN-LJQANCHMSA-N	1	0	355.486	1.890	20	30		FDEDRO
[NH2+]=C(NCCCN1CCN(c2ncccn2)CC1)NC1CCCCCC1	ZINC000092277126	524864062	/nfs/dbraw/zinc/86/40/62/524864062.db2.gz	RFSDUSZNJVFICQ-UHFFFAOYSA-N	1	0	359.522	1.616	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[NH+](C3CCCC3)CC2)CC1	ZINC000092617361	524901525	/nfs/dbraw/zinc/90/15/25/524901525.db2.gz	DFWVYGGBJQPLOK-IBGZPJMESA-N	1	0	361.534	1.239	20	30		FDEDRO
CN(C(=O)C[N@H+](C)CC(C)(C)CN1CCOCC1)C1(C#N)CCCCC1	ZINC000124202964	524926311	/nfs/dbraw/zinc/92/63/11/524926311.db2.gz	IELQLJOGYWHLEY-UHFFFAOYSA-N	1	0	364.534	1.961	20	30		FDEDRO
N#Cc1cnc(NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cn1	ZINC000124208969	524929000	/nfs/dbraw/zinc/92/90/00/524929000.db2.gz	IMICBFPTXLOBJY-INIZCTEOSA-N	1	0	350.426	1.658	20	30		FDEDRO
[NH2+]=C(NC[C@@H](O)CN1CCOCC1)Nc1ccccc1OC(F)(F)F	ZINC000160614187	524930233	/nfs/dbraw/zinc/93/02/33/524930233.db2.gz	LVIGWXFJEWWKBZ-LLVKDONJSA-N	1	0	362.352	1.005	20	30		FDEDRO
N#Cc1ccc(OCC[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)cc1	ZINC000093260769	524972397	/nfs/dbraw/zinc/97/23/97/524972397.db2.gz	YNHNKKWNDPTZCI-UHFFFAOYSA-N	1	0	366.421	1.974	20	30		FDEDRO
C#CCOc1ccc(C[NH+]2CCC(N(CC)S(C)(=O)=O)CC2)cc1	ZINC000093320714	524982066	/nfs/dbraw/zinc/98/20/66/524982066.db2.gz	YOYQJUPJXYBWCW-UHFFFAOYSA-N	1	0	350.484	1.945	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1	ZINC000175789160	525007347	/nfs/dbraw/zinc/00/73/47/525007347.db2.gz	DNUDSRUNPZTYPR-UHFFFAOYSA-N	1	0	369.429	1.385	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cc1	ZINC000161259231	525066339	/nfs/dbraw/zinc/06/63/39/525066339.db2.gz	NVAWXNZRDBGEBP-ZBFHGGJFSA-N	1	0	358.360	1.933	20	30		FDEDRO
CC[N@H+](CCNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1)C1CC1	ZINC000161261162	525068489	/nfs/dbraw/zinc/06/84/89/525068489.db2.gz	IHCRTXJOANPSEK-UHFFFAOYSA-N	1	0	358.442	1.884	20	30		FDEDRO
CCC(=O)N1CC[C@H](NC(NCCN2c3ccccc3C[C@@H]2C)=[NH+]C)C1	ZINC000161288080	525071895	/nfs/dbraw/zinc/07/18/95/525071895.db2.gz	HPYRMFMSGOIFPU-RDJZCZTQSA-N	1	0	357.502	1.614	20	30		FDEDRO
CCc1nsc(N2CCN(C(NCCn3cc(C)cn3)=[NH+]C)CC2)n1	ZINC000153148059	525120860	/nfs/dbraw/zinc/12/08/60/525120860.db2.gz	DKZFWFHIXUPZJJ-UHFFFAOYSA-N	1	0	362.507	1.003	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)CC1	ZINC000176500711	525131903	/nfs/dbraw/zinc/13/19/03/525131903.db2.gz	PBXVBXBVEWCLHE-INIZCTEOSA-N	1	0	374.489	1.255	20	30		FDEDRO
CC1CC[NH+](C[C@H](O)CNS(=O)(=O)c2cccc(Cl)c2C#N)CC1	ZINC000161670562	525149624	/nfs/dbraw/zinc/14/96/24/525149624.db2.gz	SWSADUQVAJQPCU-CYBMUJFWSA-N	1	0	371.890	1.583	20	30		FDEDRO
CCN(Cc1ccccc1)C(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153252729	525157130	/nfs/dbraw/zinc/15/71/30/525157130.db2.gz	AEJUAKKSFCMHGD-UHFFFAOYSA-N	1	0	354.458	1.777	20	30		FDEDRO
N#Cc1cc(F)ccc1S(=O)(=O)NCCCC[N@H+]1CCC[C@H]1CO	ZINC000161720277	525157517	/nfs/dbraw/zinc/15/75/17/525157517.db2.gz	RVKQRMRJRQSFNW-HNNXBMFYSA-N	1	0	355.435	1.213	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1Cl	ZINC000125259666	525179381	/nfs/dbraw/zinc/17/93/81/525179381.db2.gz	SHHHVPXJBJGCQU-INIZCTEOSA-N	1	0	360.845	1.766	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1	ZINC000101549382	525230870	/nfs/dbraw/zinc/23/08/70/525230870.db2.gz	DVTXUZVMRUEFLI-HOTGVXAUSA-N	1	0	350.507	1.867	20	30		FDEDRO
CCC[C@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC[N@@H+]1CCOC	ZINC000153698027	525290467	/nfs/dbraw/zinc/29/04/67/525290467.db2.gz	YMQJYPDZTKNSCR-SFHVURJKSA-N	1	0	372.469	1.247	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)NC(C)(C)C	ZINC000103894496	525380702	/nfs/dbraw/zinc/38/07/02/525380702.db2.gz	LJQSIHJOLAFFOS-UHFFFAOYSA-N	1	0	359.474	1.112	20	30		FDEDRO
C=C(C)CNC(=[NH2+])NCc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000104173143	525397456	/nfs/dbraw/zinc/39/74/56/525397456.db2.gz	WAXUTQDCBFEWIV-UHFFFAOYSA-N	1	0	350.488	1.842	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1ccccc1OCC(F)(F)F	ZINC000104177232	525398262	/nfs/dbraw/zinc/39/82/62/525398262.db2.gz	FJBPVCVIBZGETL-UHFFFAOYSA-N	1	0	374.407	1.754	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)CC1	ZINC000178346357	525415997	/nfs/dbraw/zinc/41/59/97/525415997.db2.gz	IDBLVQYPBJSUME-UHFFFAOYSA-N	1	0	369.465	1.915	20	30		FDEDRO
N#Cc1ncn(CC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)n1	ZINC000178475939	525435912	/nfs/dbraw/zinc/43/59/12/525435912.db2.gz	LSDCYTYAGPKODE-UHFFFAOYSA-N	1	0	352.442	1.842	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1	ZINC000127607555	525442512	/nfs/dbraw/zinc/44/25/12/525442512.db2.gz	CJCDPZTYIXUEFG-ZBFHGGJFSA-N	1	0	365.499	1.706	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cn(Cc3ccccc3)nn2)c1C#N	ZINC000128155232	525509559	/nfs/dbraw/zinc/50/95/59/525509559.db2.gz	MFXKGTVJBBQSLN-UHFFFAOYSA-N	1	0	364.413	1.325	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)ccc1Cl	ZINC000128471286	525545985	/nfs/dbraw/zinc/54/59/85/525545985.db2.gz	ICUJTFZVRNHCMT-UHFFFAOYSA-N	1	0	369.812	1.894	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CCn2cnc3ccccc3c2=O)CC1	ZINC000106038164	525554159	/nfs/dbraw/zinc/55/41/59/525554159.db2.gz	IKJDCVJXICSDKM-UHFFFAOYSA-N	1	0	354.454	1.943	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1	ZINC000179487426	525590948	/nfs/dbraw/zinc/59/09/48/525590948.db2.gz	FXLNHQXWDFKXDF-UHFFFAOYSA-N	1	0	374.485	1.476	20	30		FDEDRO
C=CCn1c(SCC(=O)NCCC[NH+](C)C)nnc1-c1cccnc1	ZINC000179702107	525619746	/nfs/dbraw/zinc/61/97/46/525619746.db2.gz	OOQNRFOXHPUQFW-UHFFFAOYSA-N	1	0	360.487	1.686	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)Cn1cnc(C#N)n1	ZINC000179757303	525624923	/nfs/dbraw/zinc/62/49/23/525624923.db2.gz	YOFARINCONDQOR-MRXNPFEDSA-N	1	0	368.441	1.368	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1	ZINC000154890276	525674289	/nfs/dbraw/zinc/67/42/89/525674289.db2.gz	AKZOBZFICHMFSE-UHFFFAOYSA-N	1	0	359.474	1.063	20	30		FDEDRO
COCC[N@H+](C)CC[C@@H](NC(=O)N1CCO[C@H](C#N)C1)c1ccccc1	ZINC000106339073	525697507	/nfs/dbraw/zinc/69/75/07/525697507.db2.gz	YMNDJROYWYZYLJ-QZTJIDSGSA-N	1	0	360.458	1.630	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-n3ccnc3)nc2)CC1	ZINC000106349108	525699747	/nfs/dbraw/zinc/69/97/47/525699747.db2.gz	LHODEOCPYRHZIC-UHFFFAOYSA-N	1	0	368.441	1.363	20	30		FDEDRO
N#Cc1cc(C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)c[nH]1	ZINC000180713669	525745702	/nfs/dbraw/zinc/74/57/02/525745702.db2.gz	IOCAENOKPRKAMH-UHFFFAOYSA-N	1	0	351.410	1.836	20	30		FDEDRO
[NH2+]=C(NCCC(=O)N1CCN(c2ccccc2)CC1)Nc1ccccn1	ZINC000170913443	525767089	/nfs/dbraw/zinc/76/70/89/525767089.db2.gz	HVXJVCQAXSUMMI-UHFFFAOYSA-N	1	0	352.442	1.547	20	30		FDEDRO
C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Br)cc(C#N)c2)C1	ZINC000155204815	525781045	/nfs/dbraw/zinc/78/10/45/525781045.db2.gz	UTBZBNCYQUEVPG-LLVKDONJSA-N	1	0	372.288	1.941	20	30		FDEDRO
CC[NH+]=C(NCCc1ccncc1C)N1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000130736560	525789769	/nfs/dbraw/zinc/78/97/69/525789769.db2.gz	OLAFPACIMKTFKA-SFHVURJKSA-N	1	0	373.501	1.221	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)CNc2ccc(C#N)cc2)CC1	ZINC000107281160	525859754	/nfs/dbraw/zinc/85/97/54/525859754.db2.gz	MFFLSALIOFGVAK-IBGZPJMESA-N	1	0	355.486	1.599	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1	ZINC000181666776	525887357	/nfs/dbraw/zinc/88/73/57/525887357.db2.gz	UBRKUCZVPGSUHF-LSDHHAIUSA-N	1	0	358.442	1.907	20	30		FDEDRO
COC[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1ccccc1	ZINC000181674934	525890419	/nfs/dbraw/zinc/89/04/19/525890419.db2.gz	QFPPHTIWYFRGAI-OALUTQOASA-N	1	0	358.486	1.656	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1CCC(CC(=O)N2CCN(CC)CC2)CC1	ZINC000108757610	526018174	/nfs/dbraw/zinc/01/81/74/526018174.db2.gz	UNHAKXJACYXPED-QGZVFWFLSA-N	1	0	365.518	1.760	20	30		FDEDRO
COC(=O)CCN1CC[N@H+](CCC(=O)Nc2ccccc2C#N)[C@H](C)C1	ZINC000182120251	526062787	/nfs/dbraw/zinc/06/27/87/526062787.db2.gz	SFIPHVXFWWWWLA-OAHLLOKOSA-N	1	0	358.442	1.456	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)ccc1F	ZINC000156162232	526071819	/nfs/dbraw/zinc/07/18/19/526071819.db2.gz	BAMSMIQXHXBANX-JSGCOSHPSA-N	1	0	369.462	1.489	20	30		FDEDRO
C[NH+](C)CCn1c2cc(NC(=O)C3(C#N)CCOCC3)ccc2oc1=O	ZINC000109141716	526082582	/nfs/dbraw/zinc/08/25/82/526082582.db2.gz	UYNRXDUEDMFGGX-UHFFFAOYSA-N	1	0	358.398	1.415	20	30		FDEDRO
C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)COc2ccccc2C#N)CC1	ZINC000133754303	526090101	/nfs/dbraw/zinc/09/01/01/526090101.db2.gz	AMGLTUGOVFIFPH-ROUUACIJSA-N	1	0	370.497	1.954	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2cccc(OCC(=O)N(C)C)c2)CC1	ZINC000171718821	526092097	/nfs/dbraw/zinc/09/20/97/526092097.db2.gz	PEFROMXUSYDQDA-UHFFFAOYSA-N	1	0	374.485	1.603	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCC(=O)Nc2ccc(OCC)cc2)CC1	ZINC000171725439	526095083	/nfs/dbraw/zinc/09/50/83/526095083.db2.gz	UGTWAJQOPZRUTE-UHFFFAOYSA-N	1	0	360.458	1.973	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC2CC[NH+](CC=C)CC2)c1	ZINC000171727115	526096468	/nfs/dbraw/zinc/09/64/68/526096468.db2.gz	DFMFTRIRZKCWBS-UHFFFAOYSA-N	1	0	363.483	1.531	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC(C(=O)NCCCOC)CC2)CC1	ZINC000171739790	526103138	/nfs/dbraw/zinc/10/31/38/526103138.db2.gz	KPFJMXPYHPVIIE-UHFFFAOYSA-N	1	0	366.506	1.211	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1	ZINC000120713075	526160884	/nfs/dbraw/zinc/16/08/84/526160884.db2.gz	YHVWGUIMFLPRPI-PBHICJAKSA-N	1	0	373.428	1.719	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1	ZINC000182422423	526168340	/nfs/dbraw/zinc/16/83/40/526168340.db2.gz	NEKZKMUQZSTWNQ-KRWDZBQOSA-N	1	0	360.458	1.434	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1	ZINC000109753046	526173471	/nfs/dbraw/zinc/17/34/71/526173471.db2.gz	ODMBFFKSIFWYKK-XLIONFOSSA-N	1	0	369.513	1.987	20	30		FDEDRO
Cc1oc(NC(=O)CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c(C#N)c1C	ZINC000109754347	526175806	/nfs/dbraw/zinc/17/58/06/526175806.db2.gz	CARFTVLFARUGST-QGZVFWFLSA-N	1	0	373.501	1.809	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCCO1	ZINC000182747777	535856287	/nfs/dbraw/zinc/85/62/87/535856287.db2.gz	NVINXFXLTAAXJH-CVEARBPZSA-N	1	0	362.499	1.568	20	30		FDEDRO
C[C@H](C#N)CNC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1	ZINC000182779564	535861750	/nfs/dbraw/zinc/86/17/50/535861750.db2.gz	VMBHNHVULMMMNY-CQSZACIVSA-N	1	0	351.495	1.272	20	30		FDEDRO
C[C@@H](C#N)CNC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000182814496	535867648	/nfs/dbraw/zinc/86/76/48/535867648.db2.gz	VALYXJJLFZPHQP-ROUUACIJSA-N	1	0	370.501	1.785	20	30		FDEDRO
C[C@@H](O)[C@H]1CC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000183176395	535935457	/nfs/dbraw/zinc/93/54/57/535935457.db2.gz	NOHMCQKXKROEJU-HIFRSBDPSA-N	1	0	354.372	1.876	20	30		FDEDRO
C[C@H](O)[C@@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1	ZINC000183217136	535945460	/nfs/dbraw/zinc/94/54/60/535945460.db2.gz	HHJLLEROVURMSP-XHSDSOJGSA-N	1	0	362.499	1.160	20	30		FDEDRO
Cn1cc(C[NH+]2CCC(N3CCNC3=O)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000183253343	535950803	/nfs/dbraw/zinc/95/08/03/535950803.db2.gz	CFOGMBLKSNPIIY-UHFFFAOYSA-N	1	0	364.453	1.948	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc([N+](=O)[O-])cnc1N	ZINC000183559287	536003379	/nfs/dbraw/zinc/00/33/79/536003379.db2.gz	GZUJLUOFLPCYTB-UHFFFAOYSA-N	1	0	368.397	1.648	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)Cn1cnc(C#N)n1)c1cccc(C(F)(F)F)c1	ZINC000183894701	536063129	/nfs/dbraw/zinc/06/31/29/536063129.db2.gz	ZPSPEHGNEMNGLA-CYBMUJFWSA-N	1	0	366.347	1.588	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1	ZINC000187679575	536271504	/nfs/dbraw/zinc/27/15/04/536271504.db2.gz	IXGIDQIBWVFHQM-JKSUJKDBSA-N	1	0	357.454	1.874	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000188123500	536283394	/nfs/dbraw/zinc/28/33/94/536283394.db2.gz	WEFXGDMOIAUVTH-QGZVFWFLSA-N	1	0	370.453	1.469	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1	ZINC000188236728	536286815	/nfs/dbraw/zinc/28/68/15/536286815.db2.gz	QLFZKJBPBKLFTP-CQSZACIVSA-N	1	0	358.442	1.859	20	30		FDEDRO
C[NH+]=C(NC[C@@](C)(O)c1ccco1)N[C@@H]1CCc2nnc(C(C)C)n2C1	ZINC000262822454	536910910	/nfs/dbraw/zinc/91/09/10/536910910.db2.gz	XHLMQTDBLWEDTO-FZKQIMNGSA-N	1	0	360.462	1.382	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000246359261	536935314	/nfs/dbraw/zinc/93/53/14/536935314.db2.gz	IGQZREHHYPMOKN-CABCVRRESA-N	1	0	357.462	1.053	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)cc1	ZINC000262944261	536944851	/nfs/dbraw/zinc/94/48/51/536944851.db2.gz	ANOSPXIGHVBUCV-SFHVURJKSA-N	1	0	372.469	1.539	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1	ZINC000267269782	536967485	/nfs/dbraw/zinc/96/74/85/536967485.db2.gz	DTBMCLQQKQMCEP-SFHVURJKSA-N	1	0	363.483	1.743	20	30		FDEDRO
COCCN(CC[NH+](C)C)C(=O)C1CCN(c2oc(C)nc2C#N)CC1	ZINC000188926926	536972188	/nfs/dbraw/zinc/97/21/88/536972188.db2.gz	HTCMWQLESUVKSV-UHFFFAOYSA-N	1	0	363.462	1.108	20	30		FDEDRO
C[C@H](CN1CCN(c2ccccn2)CC1)Nc1nccc(C#N)c1[N+](=O)[O-]	ZINC000268486169	537013341	/nfs/dbraw/zinc/01/33/41/537013341.db2.gz	MLGOGVRBUBEWEO-CQSZACIVSA-N	1	0	367.413	1.879	20	30		FDEDRO
C[NH+](C)CCCOC1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1	ZINC000268512537	537014256	/nfs/dbraw/zinc/01/42/56/537014256.db2.gz	KPIQLBAJOBMWAH-UHFFFAOYSA-N	1	0	358.438	1.726	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1	ZINC000268950612	537016370	/nfs/dbraw/zinc/01/63/70/537016370.db2.gz	CZFQRWIUXMLZMD-RBUKOAKNSA-N	1	0	372.469	1.766	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1cnn(CC(=O)NC2CCCC2)c1	ZINC000269413528	537020927	/nfs/dbraw/zinc/02/09/27/537020927.db2.gz	IMLOSXKPCRWKNK-UHFFFAOYSA-N	1	0	374.489	1.249	20	30		FDEDRO
N#CCCN(C(=O)CCC(=O)NCC[N@@H+]1CCCOCC1)c1ccccc1	ZINC000189392303	537038520	/nfs/dbraw/zinc/03/85/20/537038520.db2.gz	GTXQDAZPLZJBKP-UHFFFAOYSA-N	1	0	372.469	1.552	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H](N2CCOCC2)C1	ZINC000246913144	537050449	/nfs/dbraw/zinc/05/04/49/537050449.db2.gz	ILYGHPGAPKTHPZ-PKOBYXMFSA-N	1	0	356.470	1.728	20	30		FDEDRO
C[C@@H](O)C[N@@H+]1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H](C)C1	ZINC000189564775	537067039	/nfs/dbraw/zinc/06/70/39/537067039.db2.gz	FGNFHTZCUSDDHS-QWHCGFSZSA-N	1	0	350.850	1.537	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C	ZINC000263704925	537072944	/nfs/dbraw/zinc/07/29/44/537072944.db2.gz	PMNMSRWBUBZVAX-YJBOKZPZSA-N	1	0	372.469	1.384	20	30		FDEDRO
CCCC(=O)NC[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000263771449	537094581	/nfs/dbraw/zinc/09/45/81/537094581.db2.gz	SSCGLMNFDSHTDX-QZTJIDSGSA-N	1	0	359.470	1.926	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)nc2)[C@@H](C)C1	ZINC000247201103	537094667	/nfs/dbraw/zinc/09/46/67/537094667.db2.gz	LTTFSIIPHRHFTQ-WMLDXEAASA-N	1	0	366.487	1.369	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1	ZINC000247282327	537102878	/nfs/dbraw/zinc/10/28/78/537102878.db2.gz	FYUPIBGHTWSZIS-RHSMWYFYSA-N	1	0	365.499	1.563	20	30		FDEDRO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Cn1cnc(C#N)n1	ZINC000247355565	537112490	/nfs/dbraw/zinc/11/24/90/537112490.db2.gz	IKKUWRWLKGVZQJ-QWHZDKJVSA-N	1	0	352.442	1.423	20	30		FDEDRO
C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000247369404	537113340	/nfs/dbraw/zinc/11/33/40/537113340.db2.gz	KQSTUHSXCHKCFT-WMLDXEAASA-N	1	0	363.483	1.272	20	30		FDEDRO
C=CCNC(=O)NC(=O)CNC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C	ZINC000189956429	537120486	/nfs/dbraw/zinc/12/04/86/537120486.db2.gz	CUSFYTJTQOHYQC-HZPDHXFCSA-N	1	0	358.486	1.744	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1	ZINC000247485562	537124289	/nfs/dbraw/zinc/12/42/89/537124289.db2.gz	WMJWYEPFKZYELD-LSDHHAIUSA-N	1	0	369.473	1.053	20	30		FDEDRO
CCOCCC[NH+]=C(NCCCNC(C)=O)NCc1ccc(OC)cc1	ZINC000263962729	537133690	/nfs/dbraw/zinc/13/36/90/537133690.db2.gz	KVYNRBQKBOCUID-UHFFFAOYSA-N	1	0	364.490	1.683	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H]1C	ZINC000247558976	537134317	/nfs/dbraw/zinc/13/43/17/537134317.db2.gz	FUMCMVLOQINDOG-OLZOCXBDSA-N	1	0	350.850	1.537	20	30		FDEDRO
CCN(CC)[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)c1ccsc1	ZINC000264101869	537137495	/nfs/dbraw/zinc/13/74/95/537137495.db2.gz	OLUIFBGMHYHXRC-KRWDZBQOSA-N	1	0	367.563	1.758	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cc1	ZINC000190141437	537146061	/nfs/dbraw/zinc/14/60/61/537146061.db2.gz	VXHNJOHHWMWHFO-OAHLLOKOSA-N	1	0	374.485	1.911	20	30		FDEDRO
CCC[NH+](CCC)CCCC(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC000264712851	537147618	/nfs/dbraw/zinc/14/76/18/537147618.db2.gz	GCETZHPUSQBAHO-ZCXUNETKSA-N	1	0	350.463	1.531	20	30		FDEDRO
COC(=O)c1ccc(OC[C@@H](O)CN(CC#N)C2CCCC2)c(OC)c1	ZINC000265681546	537166614	/nfs/dbraw/zinc/16/66/14/537166614.db2.gz	DKZFJUJAHWIMTM-INIZCTEOSA-N	1	0	362.426	1.990	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1	ZINC000265744317	537169891	/nfs/dbraw/zinc/16/98/91/537169891.db2.gz	ANZDZTNMVZHUBO-OAHLLOKOSA-N	1	0	356.426	1.450	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1	ZINC000190702169	537183619	/nfs/dbraw/zinc/18/36/19/537183619.db2.gz	JHUNNSHKXKALEV-UHFFFAOYSA-N	1	0	359.470	1.924	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2ccc(F)cc2C#N)CC1	ZINC000190909312	537190824	/nfs/dbraw/zinc/19/08/24/537190824.db2.gz	IHTBABBADOXNAQ-ZDUSSCGKSA-N	1	0	354.451	1.002	20	30		FDEDRO
CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2ccc(F)c(C#N)c2)CC1	ZINC000266232283	537192987	/nfs/dbraw/zinc/19/29/87/537192987.db2.gz	URJVHPBBIUXYNT-CQSZACIVSA-N	1	0	368.478	1.249	20	30		FDEDRO
NC(=O)C1CCN(C(=O)C2CC[NH+](CC#Cc3ccccc3)CC2)CC1	ZINC000191944479	537215817	/nfs/dbraw/zinc/21/58/17/537215817.db2.gz	MRRPFHMRKXDCOE-UHFFFAOYSA-N	1	0	353.466	1.474	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1	ZINC000192070122	537219491	/nfs/dbraw/zinc/21/94/91/537219491.db2.gz	ZMIRBDCEAOUILR-UKRRQHHQSA-N	1	0	355.797	1.911	20	30		FDEDRO
C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000192085041	537220014	/nfs/dbraw/zinc/22/00/14/537220014.db2.gz	HAKFGRNPHINEQH-AWEZNQCLSA-N	1	0	360.462	1.487	20	30		FDEDRO
N#CCCCCS(=O)(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000192238313	537222112	/nfs/dbraw/zinc/22/21/12/537222112.db2.gz	VITWXCAWNHNSAO-SFHVURJKSA-N	1	0	365.499	1.891	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1	ZINC000193499236	537249543	/nfs/dbraw/zinc/24/95/43/537249543.db2.gz	XUIDXKLERZAEJM-GASCZTMLSA-N	1	0	350.463	1.547	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)ccc1F	ZINC000193514328	537249855	/nfs/dbraw/zinc/24/98/55/537249855.db2.gz	SSPWFMSLZUSBDI-BXUZGUMPSA-N	1	0	355.435	1.160	20	30		FDEDRO
C[NH+]=C(NC[C@@]1(O)CCc2ccccc21)N1CCN(c2ncccn2)CC1	ZINC000261798282	537253009	/nfs/dbraw/zinc/25/30/09/537253009.db2.gz	VRAPPGUIBJCSAC-FQEVSTJZSA-N	1	0	366.469	1.008	20	30		FDEDRO
C[NH+]=C(NC[C@H](c1ccco1)N(C)C)N1CCO[C@@H](c2cnn(C)c2)C1	ZINC000261797070	537253350	/nfs/dbraw/zinc/25/33/50/537253350.db2.gz	RBNVQGUFGLZJOU-NVXWUHKLSA-N	1	0	360.462	1.265	20	30		FDEDRO
N#CCC1(O)CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)C1	ZINC000193975506	537257666	/nfs/dbraw/zinc/25/76/66/537257666.db2.gz	XFJQLJZPZIAEPJ-HUUCEWRRSA-N	1	0	367.371	1.784	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000285792122	537288154	/nfs/dbraw/zinc/28/81/54/537288154.db2.gz	USDOOPBMYRVKLY-UHFFFAOYSA-N	1	0	374.485	1.019	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cc1ccc(OCC#N)cc1	ZINC000278324536	537300253	/nfs/dbraw/zinc/30/02/53/537300253.db2.gz	APRCRAXNVVNGKM-INIZCTEOSA-N	1	0	357.454	1.843	20	30		FDEDRO
CN(C)C(=O)c1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[nH]1	ZINC000272604389	537302820	/nfs/dbraw/zinc/30/28/20/537302820.db2.gz	SRFPHPREKMKXFU-QGZVFWFLSA-N	1	0	365.437	1.873	20	30		FDEDRO
C#CCNC(=O)CC[N@@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1	ZINC000293040983	537307810	/nfs/dbraw/zinc/30/78/10/537307810.db2.gz	JSDDGANKIFTHMW-IBGZPJMESA-N	1	0	369.513	1.055	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3sccc3C#N)CC2)c1	ZINC000293058986	537321307	/nfs/dbraw/zinc/32/13/07/537321307.db2.gz	LKLSUMWACXBREB-UHFFFAOYSA-N	1	0	371.422	1.311	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1	ZINC000272746899	537328733	/nfs/dbraw/zinc/32/87/33/537328733.db2.gz	DJXWWHFXHDGKCO-ZDUSSCGKSA-N	1	0	366.469	1.917	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1	ZINC000276222143	537340564	/nfs/dbraw/zinc/34/05/64/537340564.db2.gz	XBFYTVDHCRYPSC-ZIAGYGMSSA-N	1	0	356.426	1.683	20	30		FDEDRO
CC1(C)C[N@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C[C@@H]1O	ZINC000279708027	537353412	/nfs/dbraw/zinc/35/34/12/537353412.db2.gz	HRADCGRMZLZHIN-MSOLQXFVSA-N	1	0	374.460	1.237	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F	ZINC000298899077	537362363	/nfs/dbraw/zinc/36/23/63/537362363.db2.gz	BPCUYLGRILHDSK-UHFFFAOYSA-N	1	0	353.413	1.890	20	30		FDEDRO
N#CCOc1cccc(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)c1	ZINC000298969298	537389401	/nfs/dbraw/zinc/38/94/01/537389401.db2.gz	MAYRESWRUZJDCZ-UHFFFAOYSA-N	1	0	356.426	1.518	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccccc2OCC)CC1	ZINC000283925643	537394126	/nfs/dbraw/zinc/39/41/26/537394126.db2.gz	JWDTXZXAQXQBNK-UHFFFAOYSA-N	1	0	359.470	1.858	20	30		FDEDRO
CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000276291365	537398271	/nfs/dbraw/zinc/39/82/71/537398271.db2.gz	URZRZFXGXHIRPU-DLBZAZTESA-N	1	0	352.438	1.533	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1nc(-c2cccs2)cs1	ZINC000293247000	537399933	/nfs/dbraw/zinc/39/99/33/537399933.db2.gz	DFYPOAFQPWLFOO-UHFFFAOYSA-N	1	0	362.480	1.881	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(-c2nc(C)co2)ccc1C	ZINC000293364893	537429850	/nfs/dbraw/zinc/42/98/50/537429850.db2.gz	LWAWWCRWZKTTGI-UHFFFAOYSA-N	1	0	368.437	1.968	20	30		FDEDRO
Cc1nnc(CON=C(N)c2ccccc2C[NH+]2CCC(O)CC2)s1	ZINC000271416319	537439004	/nfs/dbraw/zinc/43/90/04/537439004.db2.gz	BEVWPGDVWPEIJU-UHFFFAOYSA-N	1	0	361.471	1.640	20	30		FDEDRO
C=CCC[N@@H+](C)CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1	ZINC000276355127	537445875	/nfs/dbraw/zinc/44/58/75/537445875.db2.gz	DXUMYYUAVLRENS-GOSISDBHSA-N	1	0	373.453	1.005	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(C#N)cn2)Cc2ccccc2C1	ZINC000293423563	537451937	/nfs/dbraw/zinc/45/19/37/537451937.db2.gz	OCBOVULHRFDCNG-UHFFFAOYSA-N	1	0	363.421	1.107	20	30		FDEDRO
CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000290894772	537455757	/nfs/dbraw/zinc/45/57/57/537455757.db2.gz	GLEGLDHQUQDQSA-ZIAGYGMSSA-N	1	0	366.487	1.070	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)NCCCC[NH+]1CCOCC1	ZINC000284683556	537475374	/nfs/dbraw/zinc/47/53/74/537475374.db2.gz	OEYZBFBEFLMSIM-UHFFFAOYSA-N	1	0	363.458	1.065	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(OCCOC)cc1C	ZINC000293487446	537483717	/nfs/dbraw/zinc/48/37/17/537483717.db2.gz	WEHVWYOGVPQXDB-UHFFFAOYSA-N	1	0	361.442	1.030	20	30		FDEDRO
CC[N@H+](CCCO)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000271915948	537508490	/nfs/dbraw/zinc/50/84/90/537508490.db2.gz	JKWHSOISAPNZIW-GOSISDBHSA-N	1	0	362.449	1.239	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)CC1	ZINC000284791961	537548532	/nfs/dbraw/zinc/54/85/32/537548532.db2.gz	HDHFHWCHORBIPP-UHFFFAOYSA-N	1	0	373.457	1.016	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCc2cccnc2-n2cncn2)CC1	ZINC000359896164	537574236	/nfs/dbraw/zinc/57/42/36/537574236.db2.gz	JMSHOXVWCHGMGQ-UHFFFAOYSA-N	1	0	355.446	1.502	20	30		FDEDRO
N#CCSCC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000299516543	537593475	/nfs/dbraw/zinc/59/34/75/537593475.db2.gz	VLMHLSCAPHPJKX-QGZVFWFLSA-N	1	0	373.526	1.699	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1	ZINC000363020955	537601855	/nfs/dbraw/zinc/60/18/55/537601855.db2.gz	ZDLJBCXSWHZIKU-CABCVRRESA-N	1	0	373.457	1.441	20	30		FDEDRO
CO/N=C/c1ccc(C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1	ZINC000237111071	537611882	/nfs/dbraw/zinc/61/18/82/537611882.db2.gz	OJYGTKNBDJFCFE-QOEQQYGESA-N	1	0	372.469	1.387	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)N=c1ccn(CCC#N)[nH]1	ZINC000363554176	537613043	/nfs/dbraw/zinc/61/30/43/537613043.db2.gz	CBRWDABHGZEMCZ-BZUAXINKSA-N	1	0	360.462	1.808	20	30		FDEDRO
CN1CC[NH+]=C1NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1	ZINC000285118440	537618077	/nfs/dbraw/zinc/61/80/77/537618077.db2.gz	PQPVMPNOGSSXQO-UHFFFAOYSA-N	1	0	351.350	1.250	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C	ZINC000294052913	537648168	/nfs/dbraw/zinc/64/81/68/537648168.db2.gz	UGYLPGGYRNMDKC-UHFFFAOYSA-N	1	0	368.485	1.510	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C[C@H]1N1CCOCC1	ZINC000330005690	537649593	/nfs/dbraw/zinc/64/95/93/537649593.db2.gz	DKKRCHHZUKLSKL-BPQIPLTHSA-N	1	0	359.470	1.599	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](NC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)C1	ZINC000330028440	537649979	/nfs/dbraw/zinc/64/99/79/537649979.db2.gz	OMMNDEKNVSKORZ-SUMWQHHRSA-N	1	0	366.462	1.247	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCC(c2c[nH]cn2)CC1	ZINC000330224289	537651816	/nfs/dbraw/zinc/65/18/16/537651816.db2.gz	NQBFYYWPMRARCK-MSOLQXFVSA-N	1	0	361.490	1.881	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCOC3(CCC3)C2)CC1	ZINC000330228639	537652675	/nfs/dbraw/zinc/65/26/75/537652675.db2.gz	PSLVLDOHQLZXNU-JKSUJKDBSA-N	1	0	364.490	1.241	20	30		FDEDRO
CC(C)CC(=O)N1CCC(NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1	ZINC000330662922	537659925	/nfs/dbraw/zinc/65/99/25/537659925.db2.gz	WQDXNJKISOTCGX-MRXNPFEDSA-N	1	0	367.538	1.163	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(S(=O)(=O)N(C)C)nc1	ZINC000330661798	537660001	/nfs/dbraw/zinc/66/00/01/537660001.db2.gz	CMLVKPFAVTVCDV-AWEZNQCLSA-N	1	0	354.476	1.511	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)cc1	ZINC000285409759	537705198	/nfs/dbraw/zinc/70/51/98/537705198.db2.gz	FPYHMKWSKOQJRW-UHFFFAOYSA-N	1	0	355.442	1.647	20	30		FDEDRO
C[N@@H+]1CC[C@H]2OCCN(CCC(=O)Nc3ccc(C#N)c(Cl)c3)[C@@H]2C1	ZINC000298562535	537724151	/nfs/dbraw/zinc/72/41/51/537724151.db2.gz	PPGWIGOCWUPHLC-IAGOWNOFSA-N	1	0	362.861	1.945	20	30		FDEDRO
C[C@]1(NS(=O)(=O)c2cccnc2C#N)CC[N@H+](Cc2ccccc2)C1	ZINC000405950230	537810280	/nfs/dbraw/zinc/81/02/80/537810280.db2.gz	FPYIOBUCVVRFKX-SFHVURJKSA-N	1	0	356.451	1.896	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)CN1CCC(C)(C[NH+]2CCOCC2)CC1	ZINC000371374788	537825837	/nfs/dbraw/zinc/82/58/37/537825837.db2.gz	SDKJTLKKTLHLJZ-IBGZPJMESA-N	1	0	350.507	1.475	20	30		FDEDRO
C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCCSCc1ccccc1C#N	ZINC000418909957	537836743	/nfs/dbraw/zinc/83/67/43/537836743.db2.gz	APLSFUJYLSZTFL-KGLIPLIRSA-N	1	0	360.483	1.103	20	30		FDEDRO
C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCCSCc1ccccc1C#N	ZINC000418911115	537839038	/nfs/dbraw/zinc/83/90/38/537839038.db2.gz	BRCXZMLOGMGOAO-XJKSGUPXSA-N	1	0	360.483	1.022	20	30		FDEDRO
CC[NH+](CC)C[C@H]1CCCC[C@@H]1NS(=O)(=O)N(CCC#N)CCOC	ZINC000409485329	537852315	/nfs/dbraw/zinc/85/23/15/537852315.db2.gz	NYGJOVNLEQBYLJ-SJORKVTESA-N	1	0	374.551	1.583	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1	ZINC000409553531	537859732	/nfs/dbraw/zinc/85/97/32/537859732.db2.gz	FDPSJDZEUBYFLH-HNNXBMFYSA-N	1	0	350.488	1.503	20	30		FDEDRO
C#CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000376764116	537903070	/nfs/dbraw/zinc/90/30/70/537903070.db2.gz	MDRFKHILGBSJDM-HXUWFJFHSA-N	1	0	370.497	1.238	20	30		FDEDRO
COC(=O)[C@@H]1CN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@H+](C)C1	ZINC000411923964	537905469	/nfs/dbraw/zinc/90/54/69/537905469.db2.gz	WVVFYHCMIONAAT-WMZOPIPTSA-N	1	0	370.453	1.090	20	30		FDEDRO
Cc1sc(NC(=O)C[NH2+]C(C)(C)CN2CCOCC2)c(C#N)c1C	ZINC000411996523	537930779	/nfs/dbraw/zinc/93/07/79/537930779.db2.gz	CMZDBVWGEVUFJJ-UHFFFAOYSA-N	1	0	350.488	1.876	20	30		FDEDRO
N#CC1(CCC[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)CCOCC1	ZINC000367093687	537933719	/nfs/dbraw/zinc/93/37/19/537933719.db2.gz	UXNCFJRNEKTOQA-UHFFFAOYSA-N	1	0	369.531	1.977	20	30		FDEDRO
C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000419106705	537941629	/nfs/dbraw/zinc/94/16/29/537941629.db2.gz	DJKREOIMZUGRLX-GFCCVEGCSA-N	1	0	355.360	1.145	20	30		FDEDRO
Cc1c(C(=O)NC2=NO[C@@H](C)C2)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000367281587	537952400	/nfs/dbraw/zinc/95/24/00/537952400.db2.gz	ZVMKCGLRAYQCFP-NSHDSACASA-N	1	0	354.414	1.416	20	30		FDEDRO
C=CC[C@@H](CC)NC(=O)C(=O)N(Cc1scnc1C)C[C@H]1CC[NH2+]C1	ZINC000419137544	537954723	/nfs/dbraw/zinc/95/47/23/537954723.db2.gz	PHWFWKLZMAMDIS-LSDHHAIUSA-N	1	0	364.515	1.861	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC2(C[C@@H]2C(=O)N2CCCC2)CC1	ZINC000367555590	537961250	/nfs/dbraw/zinc/96/12/50/537961250.db2.gz	BORCXAIDCROWDK-HUUCEWRRSA-N	1	0	362.474	1.111	20	30		FDEDRO
COC[C@@H](C)OC[C@@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000367583015	537962766	/nfs/dbraw/zinc/96/27/66/537962766.db2.gz	AMXMWFBNHNSWCS-ZBFHGGJFSA-N	1	0	366.433	1.953	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC(C[NH3+])CC2)ccc1Br	ZINC000415302352	537993802	/nfs/dbraw/zinc/99/38/02/537993802.db2.gz	CGNNKJYFGMJEIC-UHFFFAOYSA-N	1	0	365.231	1.457	20	30		FDEDRO
CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cnn(C)c1C#N	ZINC000412673517	538008702	/nfs/dbraw/zinc/00/87/02/538008702.db2.gz	NKHKIEAAWYOCFT-VQIMIIECSA-N	1	0	367.453	1.559	20	30		FDEDRO
N#Cc1ccc(NC(=O)CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1Cl	ZINC000369282237	538009718	/nfs/dbraw/zinc/00/97/18/538009718.db2.gz	ZIIPXKNMFGVORQ-IRXDYDNUSA-N	1	0	362.861	1.681	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1	ZINC000415347800	538018079	/nfs/dbraw/zinc/01/80/79/538018079.db2.gz	DOZBEPVGVXROSR-DZGCQCFKSA-N	1	0	358.442	1.788	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1	ZINC000372739454	538020044	/nfs/dbraw/zinc/02/00/44/538020044.db2.gz	KSBIXCFMJRPCEW-IBGZPJMESA-N	1	0	355.482	1.939	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1)c1ccc(C#N)cc1	ZINC000419292619	538025624	/nfs/dbraw/zinc/02/56/24/538025624.db2.gz	UBHSDRRIALRSMZ-HNNXBMFYSA-N	1	0	354.454	1.728	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)NCc1nnc2n1CCOC2)C(C)C	ZINC000372784912	538028822	/nfs/dbraw/zinc/02/88/22/538028822.db2.gz	OOIDVTIXIJYALH-OAHLLOKOSA-N	1	0	362.478	1.306	20	30		FDEDRO
C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1	ZINC000415465005	538064124	/nfs/dbraw/zinc/06/41/24/538064124.db2.gz	SAKUJOMDJJJHHP-FZMZJTMJSA-N	1	0	358.833	2.517	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC[C@H]1[NH3+]	ZINC000415466906	538066359	/nfs/dbraw/zinc/06/63/59/538066359.db2.gz	UNMSWZPEIOEHGC-NOZJJQNGSA-N	1	0	354.332	1.711	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)c1ccc(F)c(F)c1	ZINC000419681678	538090134	/nfs/dbraw/zinc/09/01/34/538090134.db2.gz	SBIKLHUSXCGYTN-GHJWDPDVSA-N	1	0	351.397	1.955	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1C#N	ZINC000415874324	538091572	/nfs/dbraw/zinc/09/15/72/538091572.db2.gz	APADUWYRKWJLOO-WMZOPIPTSA-N	1	0	370.453	1.550	20	30		FDEDRO
C[C@@H]1CCCN(C(=O)C(=O)N(C)CCOCc2ccc(C#N)cc2)[C@H]1C[NH3+]	ZINC000423723916	538150793	/nfs/dbraw/zinc/15/07/93/538150793.db2.gz	GRHCULLYDJHJCG-QAPCUYQASA-N	1	0	372.469	1.119	20	30		FDEDRO
COCCC[N@H+](C)CCNS(=O)(=O)c1ccc(CC#N)cc1Cl	ZINC000451240786	538212450	/nfs/dbraw/zinc/21/24/50/538212450.db2.gz	DSEWURXCCYVJDG-UHFFFAOYSA-N	1	0	359.879	1.653	20	30		FDEDRO
C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000424111700	538235258	/nfs/dbraw/zinc/23/52/58/538235258.db2.gz	GZTNVGQPUCFMEX-SWLSCSKDSA-N	1	0	352.460	1.135	20	30		FDEDRO
C=CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C(C)(C)COC)CC1	ZINC000424120617	538239831	/nfs/dbraw/zinc/23/98/31/538239831.db2.gz	FFKUZMYPSVVGON-UHFFFAOYSA-N	1	0	364.494	1.149	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1	ZINC000424156873	538246856	/nfs/dbraw/zinc/24/68/56/538246856.db2.gz	RJUINKXZCRNDAR-JSGCOSHPSA-N	1	0	368.359	1.948	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NCc1cccc(C(=O)Nc2ccncc2)c1	ZINC000424150923	538246912	/nfs/dbraw/zinc/24/69/12/538246912.db2.gz	ZXFRZSVUMXYJGZ-QGZVFWFLSA-N	1	0	351.410	1.393	20	30		FDEDRO
CC(C)(CC#N)CNC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1	ZINC000422491590	538282189	/nfs/dbraw/zinc/28/21/89/538282189.db2.gz	UFROBKDRIVZXTL-UHFFFAOYSA-N	1	0	364.490	1.146	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)NC1(C[NH3+])CCCC1	ZINC000420426955	538292867	/nfs/dbraw/zinc/29/28/67/538292867.db2.gz	XBWOQPWXAQJBQU-UHFFFAOYSA-N	1	0	358.261	1.871	20	30		FDEDRO
C=CC[C@H](CO)CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000429037076	538329573	/nfs/dbraw/zinc/32/95/73/538329573.db2.gz	WBOQZWPFRGHGHV-RBUKOAKNSA-N	1	0	361.486	1.761	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)N1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1	ZINC000452051172	538355721	/nfs/dbraw/zinc/35/57/21/538355721.db2.gz	LDBODCQOPGYHSL-HOTGVXAUSA-N	1	0	359.474	1.156	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C1(c2cccc(OC(F)(F)F)c2)CCOCC1	ZINC000447317386	538368611	/nfs/dbraw/zinc/36/86/11/538368611.db2.gz	CWYKUDYSFMJYKC-UHFFFAOYSA-N	1	0	357.332	1.820	20	30		FDEDRO
C=CCN(C(=O)C[C@H]1C[NH2+]CCO1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000430528289	538389103	/nfs/dbraw/zinc/38/91/03/538389103.db2.gz	XMAXPTGPISDCNC-YOEHRIQHSA-N	1	0	356.430	1.116	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)C[C@@H](C)[NH2+]1	ZINC000423527077	538399429	/nfs/dbraw/zinc/39/94/29/538399429.db2.gz	MBNOFHGWULUPAO-JOCBIADPSA-N	1	0	354.454	1.494	20	30		FDEDRO
C[NH+](C)CCCOC1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1	ZINC000435421698	538406131	/nfs/dbraw/zinc/40/61/31/538406131.db2.gz	KLOKCSDFQCJLLP-UHFFFAOYSA-N	1	0	357.501	1.741	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1	ZINC000425873997	538414911	/nfs/dbraw/zinc/41/49/11/538414911.db2.gz	BZJXSEPYKCLHGS-ULQDDVLXSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2CCCO)c1	ZINC000453810886	538458532	/nfs/dbraw/zinc/45/85/32/538458532.db2.gz	YJGACAITGZKPJP-INIZCTEOSA-N	1	0	361.442	1.153	20	30		FDEDRO
C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1	ZINC000460773340	538495105	/nfs/dbraw/zinc/49/51/05/538495105.db2.gz	JQQYUYYPYIYEIK-QZTJIDSGSA-N	1	0	374.533	1.922	20	30		FDEDRO
C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCC([NH+](CCOC)CCOC)CC1	ZINC000457829282	538520446	/nfs/dbraw/zinc/52/04/46/538520446.db2.gz	DTZOQWPEDZPEHD-RTBURBONSA-N	1	0	368.518	1.944	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000454299830	538532917	/nfs/dbraw/zinc/53/29/17/538532917.db2.gz	HSSWKPBHTAFRFJ-MOPGFXCFSA-N	1	0	358.486	1.447	20	30		FDEDRO
C=CCCN(C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-]	ZINC000466389399	538537182	/nfs/dbraw/zinc/53/71/82/538537182.db2.gz	QBGGENOJPROUED-UHFFFAOYSA-N	1	0	370.475	1.837	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC([C@H](C)NC(C)=O)CC2)CC1	ZINC000476940712	538573174	/nfs/dbraw/zinc/57/31/74/538573174.db2.gz	OJNNUVQNKQZNJS-HNNXBMFYSA-N	1	0	350.507	1.973	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H](C)C[NH+](CC)CC	ZINC000477109237	538596840	/nfs/dbraw/zinc/59/68/40/538596840.db2.gz	SSFMODQSPOOCLT-MRXNPFEDSA-N	1	0	356.470	1.919	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO	ZINC000458638718	538628390	/nfs/dbraw/zinc/62/83/90/538628390.db2.gz	DZUZUPXNHDNELD-OTWHNJEPSA-N	1	0	359.470	1.786	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH2+][C@H](CO)c1ccccc1OC(F)(F)F	ZINC000483103964	538673760	/nfs/dbraw/zinc/67/37/60/538673760.db2.gz	LSFXZLHOAHPHQM-CYBMUJFWSA-N	1	0	359.348	1.970	20	30		FDEDRO
C[C@@H]1CN(C(=O)Nc2cnc(C#N)c(Cl)c2)CC[N@@H+]1CC(C)(C)O	ZINC000455758097	538682468	/nfs/dbraw/zinc/68/24/68/538682468.db2.gz	JCJMULNGIZWDQZ-LLVKDONJSA-N	1	0	351.838	1.916	20	30		FDEDRO
C[C@H]1CN(C(=O)c2cc(C#N)cc(N(C)C)c2)CCN1C1CC[NH+](C)CC1	ZINC000496735324	538716776	/nfs/dbraw/zinc/71/67/76/538716776.db2.gz	FSILZTXNRIPLFH-INIZCTEOSA-N	1	0	369.513	1.865	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([NH2+][C@@H]3CCCC[C@H]3N3CCOCC3)C2=O)cc1	ZINC000560704174	545585021	/nfs/dbraw/zinc/58/50/21/545585021.db2.gz	ROSUYYMXNJQKBB-HSALFYBXSA-N	1	0	368.481	1.897	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CCC1	ZINC000474076709	538816975	/nfs/dbraw/zinc/81/69/75/538816975.db2.gz	CQLUWIRAWDXFDE-KRWDZBQOSA-N	1	0	354.454	1.650	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CCOCC1	ZINC000506483225	538875389	/nfs/dbraw/zinc/87/53/89/538875389.db2.gz	VBKQDLKZEMAQAJ-KRWDZBQOSA-N	1	0	353.463	1.475	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)CC1	ZINC000561415031	545838997	/nfs/dbraw/zinc/83/89/97/545838997.db2.gz	UGTLCGDCYMRBSQ-GOSISDBHSA-N	1	0	373.453	1.059	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCC2CCC(OC)CC2)CC1	ZINC000561413443	545839036	/nfs/dbraw/zinc/83/90/36/545839036.db2.gz	GMDDNFLFPWTDPN-UHFFFAOYSA-N	1	0	365.518	1.855	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000561427393	545847925	/nfs/dbraw/zinc/84/79/25/545847925.db2.gz	MFICLNJMRWVODO-KRWDZBQOSA-N	1	0	352.442	1.930	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(c2nc3c(cc2C#N)COCC3)CC1	ZINC000562692188	546227152	/nfs/dbraw/zinc/22/71/52/546227152.db2.gz	XOYVLTLXBGMGPE-GOSISDBHSA-N	1	0	355.486	1.632	20	30		FDEDRO
C=CCn1c(N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)nnc1C(C)(C)C	ZINC000562790608	546269082	/nfs/dbraw/zinc/26/90/82/546269082.db2.gz	YAPIGTBFZIXVSK-OAHLLOKOSA-N	1	0	360.506	1.552	20	30		FDEDRO
C[C@H]([NH2+][C@H](CO)[C@H]1CCCOC1)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000563234740	546459117	/nfs/dbraw/zinc/45/91/17/546459117.db2.gz	AVOATPCXMPBFCD-MYTOGIIISA-N	1	0	351.491	1.683	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)NCC2([NH3+])CCCCCC2)CC1	ZINC000563596622	546605050	/nfs/dbraw/zinc/60/50/50/546605050.db2.gz	SVOZCRPSLGTABO-UHFFFAOYSA-N	1	0	356.474	1.837	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1	ZINC000563821051	546697989	/nfs/dbraw/zinc/69/79/89/546697989.db2.gz	NXMLSHGLJBWKNG-SFHVURJKSA-N	1	0	364.534	1.476	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CC[NH+]4CCC3CC4)C2=O)cc1	ZINC000563881260	546720721	/nfs/dbraw/zinc/72/07/21/546720721.db2.gz	ZNGNKMDRYWSXND-GOSISDBHSA-N	1	0	367.453	1.543	20	30		FDEDRO
C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN(c2cnccc2C#N)CC1	ZINC000563928891	546738584	/nfs/dbraw/zinc/73/85/84/546738584.db2.gz	NQTHEHVYGUXPLK-INIZCTEOSA-N	1	0	356.474	1.659	20	30		FDEDRO
C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)Nc2cccc(C#N)n2)C1	ZINC000563956441	546752914	/nfs/dbraw/zinc/75/29/14/546752914.db2.gz	ROLUGGACYYOFFK-GASCZTMLSA-N	1	0	357.458	1.766	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1=O	ZINC000563974469	546761618	/nfs/dbraw/zinc/76/16/18/546761618.db2.gz	XLNBBCWDMOZWOQ-JKSUJKDBSA-N	1	0	351.516	1.449	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCc2cn3c(n2)SCC3)cc1	ZINC000564077156	546798050	/nfs/dbraw/zinc/79/80/50/546798050.db2.gz	NDRMAQYOFOLKOC-UHFFFAOYSA-N	1	0	362.480	1.466	20	30		FDEDRO
C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NCc1nc(C#N)cs1	ZINC000564411227	546906818	/nfs/dbraw/zinc/90/68/18/546906818.db2.gz	MXNBJNOBECEHAR-INIZCTEOSA-N	1	0	357.483	1.393	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H](O)COc2ccccc2)cc1	ZINC000564696832	547004602	/nfs/dbraw/zinc/00/46/02/547004602.db2.gz	WASDBTBTGBDYFH-MRXNPFEDSA-N	1	0	360.435	1.361	20	30		FDEDRO
Cc1nnc2n1C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)CC2	ZINC000564773800	547031944	/nfs/dbraw/zinc/03/19/44/547031944.db2.gz	XNBBTCYQLYRVNG-OAHLLOKOSA-N	1	0	359.455	1.084	20	30		FDEDRO
C[NH+](C)CC[C@H](NC(=O)C(=O)NCc1ccc(CC#N)cc1)C(C)(C)C	ZINC000564948842	547122106	/nfs/dbraw/zinc/12/21/06/547122106.db2.gz	LJICCWBNTLYKLB-KRWDZBQOSA-N	1	0	358.486	1.851	20	30		FDEDRO
COc1ccc([C@@H](CO)C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cc1	ZINC000564974899	547137756	/nfs/dbraw/zinc/13/77/56/547137756.db2.gz	DQVVBQQEPNHWAB-QGZVFWFLSA-N	1	0	374.462	1.706	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+][C@@H]3CCCN(C(=O)Cc4ccccc4)C3)cnc12	ZINC000564987587	547146140	/nfs/dbraw/zinc/14/61/40/547146140.db2.gz	YZICWOXRCVBCIY-LJQANCHMSA-N	1	0	374.448	1.924	20	30		FDEDRO
C=CCc1cc(CNC(=O)N2CCN(C)C[C@H]2C[NH3+])cc(OC)c1OC	ZINC000565470405	547361628	/nfs/dbraw/zinc/36/16/28/547361628.db2.gz	QSMNIMAHCGRIHR-MRXNPFEDSA-N	1	0	362.474	1.217	20	30		FDEDRO
C=CC[N@@H+](CCNC(=O)NC(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000565536505	547388528	/nfs/dbraw/zinc/38/85/28/547388528.db2.gz	LXJQMYKTOFDAQC-HNNXBMFYSA-N	1	0	357.462	1.919	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1nnc2n1c1ccccc1c(=O)n2CC	ZINC000565644336	547428112	/nfs/dbraw/zinc/42/81/12/547428112.db2.gz	MROFEWVHJGRRHN-ZBFHGGJFSA-N	1	0	353.426	1.887	20	30		FDEDRO
C=CCC[C@@H](NC(=O)C(=O)NC1C[NH2+]C1)c1ccc(C(F)(F)F)cc1	ZINC000565707708	547450607	/nfs/dbraw/zinc/45/06/07/547450607.db2.gz	NBCYSJFOBOEHQV-CQSZACIVSA-N	1	0	355.360	1.917	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCO[C@]3(CCOC3)C2)cc1	ZINC000566113663	547609977	/nfs/dbraw/zinc/60/99/77/547609977.db2.gz	URHKGHZIZAFVJI-DOTOQJQBSA-N	1	0	350.440	1.260	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)cc1	ZINC000566113664	547610111	/nfs/dbraw/zinc/61/01/11/547610111.db2.gz	URHKGHZIZAFVJI-NVXWUHKLSA-N	1	0	350.440	1.260	20	30		FDEDRO
N#CCCn1ccc(=NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)[nH]1	ZINC000566144299	547625035	/nfs/dbraw/zinc/62/50/35/547625035.db2.gz	XTHFBOYOVAQLKL-ZWKOTPCHSA-N	1	0	364.453	2.535	20	30		FDEDRO
Cc1cc(Cl)c2ncc(C#N)c(N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)c2c1	ZINC000566488995	547778697	/nfs/dbraw/zinc/77/86/97/547778697.db2.gz	HDHSBLSLLWWROE-SWLSCSKDSA-N	1	0	355.829	1.817	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1	ZINC000566673467	547847638	/nfs/dbraw/zinc/84/76/38/547847638.db2.gz	NJPURPFPXQKTLS-RDJZCZTQSA-N	1	0	368.499	1.026	20	30		FDEDRO
N#Cc1cccnc1OC1CCC(NC(=O)N2CCOC3(C[NH2+]C3)C2)CC1	ZINC000567096603	547992615	/nfs/dbraw/zinc/99/26/15/547992615.db2.gz	IINMVDIYXJHITM-UHFFFAOYSA-N	1	0	371.441	1.027	20	30		FDEDRO
C[N@H+](CCN1CCN(c2ccc(C#N)c(N)n2)CC1)Cc1ccccc1	ZINC000567486773	548136916	/nfs/dbraw/zinc/13/69/16/548136916.db2.gz	UZHMVMOWKNHJMA-UHFFFAOYSA-N	1	0	350.470	1.789	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCc2nc3ccccc3[nH]2)nc1	ZINC000567681454	548209804	/nfs/dbraw/zinc/20/98/04/548209804.db2.gz	RWZIKLIMWUVWND-UHFFFAOYSA-N	1	0	369.450	1.826	20	30		FDEDRO
Cn1cc(N2CCC[C@H]([NH2+]CCS(=O)(=O)c3cccc(C#N)c3)C2)cn1	ZINC000567691553	548215796	/nfs/dbraw/zinc/21/57/96/548215796.db2.gz	ZKSIFBCQZMKSEM-INIZCTEOSA-N	1	0	373.482	1.324	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)C1(S(C)(=O)=O)CC1	ZINC000567708486	548222288	/nfs/dbraw/zinc/22/22/88/548222288.db2.gz	PSIACHUHEXSUSN-DZGCQCFKSA-N	1	0	352.456	1.048	20	30		FDEDRO
C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)Cc1ccc(CC#N)cc1	ZINC000567781327	548256765	/nfs/dbraw/zinc/25/67/65/548256765.db2.gz	BSPDKUXGSCXWOG-INIZCTEOSA-N	1	0	364.515	1.198	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@H+](Cc1ccccc1)C[C@]1(O)CCO[C@@H]1C	ZINC000568526446	548574482	/nfs/dbraw/zinc/57/44/82/548574482.db2.gz	PHDADHRUNYOMMD-DNVCBOLYSA-N	1	0	361.442	1.040	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1	ZINC000568732200	548655409	/nfs/dbraw/zinc/65/54/09/548655409.db2.gz	BNHXVITWVLPHGD-QGZVFWFLSA-N	1	0	366.456	1.725	20	30		FDEDRO
CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNc1ccc(C#N)c(N)n1	ZINC000568768461	548674246	/nfs/dbraw/zinc/67/42/46/548674246.db2.gz	UHRXLXBVRGIVFK-QZTJIDSGSA-N	1	0	351.454	2.484	20	30		FDEDRO
C[C@H]1CCCC[C@@H]1OCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000570242575	549208702	/nfs/dbraw/zinc/20/87/02/549208702.db2.gz	AZUNLMLGPGIDLM-HOCLYGCPSA-N	1	0	351.472	1.912	20	30		FDEDRO
C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000570359971	549251395	/nfs/dbraw/zinc/25/13/95/549251395.db2.gz	PGXTXUUBUUJPHX-QGZVFWFLSA-N	1	0	370.501	1.905	20	30		FDEDRO
N#CCC(=O)N1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1	ZINC000570407457	549269108	/nfs/dbraw/zinc/26/91/08/549269108.db2.gz	BWVYZIWVQOPNMA-CYBMUJFWSA-N	1	0	372.252	1.791	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000570899111	549451699	/nfs/dbraw/zinc/45/16/99/549451699.db2.gz	KNXAAWZUKQOFFB-ZACQAIPSSA-N	1	0	374.510	1.780	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CC(=O)N(C(C)C)C2)c(OC)c1	ZINC000570920303	549459296	/nfs/dbraw/zinc/45/92/96/549459296.db2.gz	GGSKVSIOWCTKJE-SJORKVTESA-N	1	0	362.470	1.762	20	30		FDEDRO
C[NH+]1CCC(N(C[C@@H](O)CC(C)(C)C)S(=O)(=O)CC2(C#N)CC2)CC1	ZINC000570973630	549480471	/nfs/dbraw/zinc/48/04/71/549480471.db2.gz	BAXMBXMYJDWDIZ-INIZCTEOSA-N	1	0	371.547	1.813	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000571031046	549499570	/nfs/dbraw/zinc/49/95/70/549499570.db2.gz	HBGOYGXIKABOCF-QGTPRVQTSA-N	1	0	369.469	1.570	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCO[C@@H](CC(C)C)C2)CC1	ZINC000571590372	549701101	/nfs/dbraw/zinc/70/11/01/549701101.db2.gz	VQTWTEBRYBAYIY-MSOLQXFVSA-N	1	0	365.518	1.853	20	30		FDEDRO
CO[C@@H]1CCN(C(=O)CSc2nc(C)c(C)c(C)c2C#N)[C@H](C[NH3+])C1	ZINC000571651561	549722653	/nfs/dbraw/zinc/72/26/53/549722653.db2.gz	GBEFCASCPRCRRS-LSDHHAIUSA-N	1	0	362.499	1.935	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@@H]3C[NH2+]CCC3(F)F)CC2)c1C#N	ZINC000571657014	549724314	/nfs/dbraw/zinc/72/43/14/549724314.db2.gz	IYJCHEWIRUWQBQ-GFCCVEGCSA-N	1	0	370.429	1.152	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)NCC3([NH3+])CCCCCC3)CC2)c1C#N	ZINC000571777476	549761105	/nfs/dbraw/zinc/76/11/05/549761105.db2.gz	NPVAGTCUWLIJKV-UHFFFAOYSA-N	1	0	373.505	1.484	20	30		FDEDRO
CC[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1I	ZINC000572061039	549834434	/nfs/dbraw/zinc/83/44/34/549834434.db2.gz	WHKFPGPQJDVWHV-NSHDSACASA-N	1	0	360.195	1.854	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)Nc1ccc(N2CC[NH2+]CC2)cn1	ZINC000572173272	549857941	/nfs/dbraw/zinc/85/79/41/549857941.db2.gz	RYTWJSFSCLLPDJ-UHFFFAOYSA-N	1	0	367.409	1.389	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1	ZINC000572296863	549885043	/nfs/dbraw/zinc/88/50/43/549885043.db2.gz	WKTCWTXWJRZNCF-AWEZNQCLSA-N	1	0	353.488	1.609	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)cc1	ZINC000572356408	549896364	/nfs/dbraw/zinc/89/63/64/549896364.db2.gz	IKHOESHAZSRFKT-AZUAARDMSA-N	1	0	365.433	1.689	20	30		FDEDRO
C=CCn1c(-c2nnn(C)c2C)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1	ZINC000572355093	549896410	/nfs/dbraw/zinc/89/64/10/549896410.db2.gz	RWIGDHDNPLSVGB-CQSZACIVSA-N	1	0	370.505	1.879	20	30		FDEDRO
Cc1cccc(OC[C@H](O)C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)c1	ZINC000572524224	549935528	/nfs/dbraw/zinc/93/55/28/549935528.db2.gz	WFIRIOKEAQTPEX-QGZVFWFLSA-N	1	0	374.462	1.670	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCC(C#N)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000572562585	549942723	/nfs/dbraw/zinc/94/27/23/549942723.db2.gz	VVUPLWFMRNIOHK-APWZRJJASA-N	1	0	368.481	1.775	20	30		FDEDRO
Cc1cc(NC(=O)CC[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)no1	ZINC000572715044	549978084	/nfs/dbraw/zinc/97/80/84/549978084.db2.gz	LTHIYJXJKGKIEH-MRXNPFEDSA-N	1	0	367.409	1.969	20	30		FDEDRO
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+][C@H](C)C(=O)NC1(C#N)CCC1	ZINC000573075829	550057626	/nfs/dbraw/zinc/05/76/26/550057626.db2.gz	NGZUJWSOHFFRBR-BFYDXBDKSA-N	1	0	357.454	1.947	20	30		FDEDRO
CC1(C)C[C@]1(C#N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1CCCCC1	ZINC000573183707	550081441	/nfs/dbraw/zinc/08/14/41/550081441.db2.gz	MJOBZNISUHTIAF-HNAYVOBHSA-N	1	0	357.458	1.826	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)c2ccc(F)c(C#N)c2)(N2CCOCC2)CC1	ZINC000573216546	550089247	/nfs/dbraw/zinc/08/92/47/550089247.db2.gz	DMCSJUYRIDMAPL-UHFFFAOYSA-N	1	0	360.433	1.224	20	30		FDEDRO
CC[NH+]1CCC(CNC(=O)C2CCN(c3oc(C)nc3C#N)CC2)CC1	ZINC000573745158	550204215	/nfs/dbraw/zinc/20/42/15/550204215.db2.gz	JOQXNEAZVJOILW-UHFFFAOYSA-N	1	0	359.474	1.919	20	30		FDEDRO
C=CCn1c(C)cc(C(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C[NH3+])C2=O)c1C	ZINC000574037152	550249864	/nfs/dbraw/zinc/24/98/64/550249864.db2.gz	DKEUXOYLZDJPHF-FOIQADDNSA-N	1	0	372.469	1.913	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)c1C#N	ZINC000574209643	550276310	/nfs/dbraw/zinc/27/63/10/550276310.db2.gz	SXHBALKDHQWZNP-CYBMUJFWSA-N	1	0	360.487	1.392	20	30		FDEDRO
C[C@H]1[C@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)CC(=O)N1Cc1ccccc1	ZINC000574323601	550296059	/nfs/dbraw/zinc/29/60/59/550296059.db2.gz	BIEPESZJTDSBDY-KBXCAEBGSA-N	1	0	360.421	1.880	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)cc1Br	ZINC000574382384	550304940	/nfs/dbraw/zinc/30/49/40/550304940.db2.gz	RZXKJEKGVAHTTA-JTQLQIEISA-N	1	0	365.231	1.457	20	30		FDEDRO
COC[C@H](C)OC[C@H](O)C[NH2+]C1CCC(Oc2ncccc2C#N)CC1	ZINC000574870874	550384197	/nfs/dbraw/zinc/38/41/97/550384197.db2.gz	BZONBEAPLUZBFH-FQXVJMBOSA-N	1	0	363.458	1.645	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)ncc1C#N	ZINC000574888650	550386989	/nfs/dbraw/zinc/38/69/89/550386989.db2.gz	FHYAIMSTFQFMHR-INIZCTEOSA-N	1	0	357.458	1.827	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)cc1	ZINC000575401283	550460218	/nfs/dbraw/zinc/46/02/18/550460218.db2.gz	QUCWQCPZPKHGDX-QZTJIDSGSA-N	1	0	365.433	1.972	20	30		FDEDRO
N#CC1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC1	ZINC000576652534	550572317	/nfs/dbraw/zinc/57/23/17/550572317.db2.gz	LXDRKXYUUKIPOV-SFHVURJKSA-N	1	0	354.454	1.702	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1	ZINC000576902437	550598403	/nfs/dbraw/zinc/59/84/03/550598403.db2.gz	ALAHDXGKOUJUQG-MSOLQXFVSA-N	1	0	365.518	1.808	20	30		FDEDRO
CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000577098294	550620269	/nfs/dbraw/zinc/62/02/69/550620269.db2.gz	TTWAKYXFFRRZPI-WBVHZDCISA-N	1	0	351.472	1.768	20	30		FDEDRO
C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000577275332	550639453	/nfs/dbraw/zinc/63/94/53/550639453.db2.gz	UYVNHLMCGVWNKF-OAGGEKHMSA-N	1	0	364.515	1.683	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2cccc(NC(=O)CC)c2)CC1	ZINC000577657240	550680460	/nfs/dbraw/zinc/68/04/60/550680460.db2.gz	KYMRVVLFPCKQDR-UHFFFAOYSA-N	1	0	372.469	1.418	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1	ZINC000577665337	550681420	/nfs/dbraw/zinc/68/14/20/550681420.db2.gz	NCPCUECCQZAGGQ-QZTJIDSGSA-N	1	0	362.499	1.531	20	30		FDEDRO
Cc1ccc([C@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)N(C)C)cc1	ZINC000577947898	550711577	/nfs/dbraw/zinc/71/15/77/550711577.db2.gz	GUMPYVWYDFGJLM-SFHVURJKSA-N	1	0	372.494	1.928	20	30		FDEDRO
CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1	ZINC000578132410	550731604	/nfs/dbraw/zinc/73/16/04/550731604.db2.gz	COALRIYBCPINIV-RDJZCZTQSA-N	1	0	351.414	1.998	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H](CO)c2ccc(F)cc2)nc1	ZINC000578323786	550752066	/nfs/dbraw/zinc/75/20/66/550752066.db2.gz	WPYVBSPFQPESNI-HNNXBMFYSA-N	1	0	363.414	1.232	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)c1	ZINC000578501755	550770249	/nfs/dbraw/zinc/77/02/49/550770249.db2.gz	YUDRQAQPIQMGLW-NSHDSACASA-N	1	0	352.341	1.295	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1	ZINC000578768342	550800069	/nfs/dbraw/zinc/80/00/69/550800069.db2.gz	UBHPXJQKPUCVIM-XJKSGUPXSA-N	1	0	353.426	1.367	20	30		FDEDRO
CSC[C@@H](C)C(=O)N1CCC(C(=O)N[C@@](C)(C#N)CN(C)C)CC1	ZINC000579598627	550890921	/nfs/dbraw/zinc/89/09/21/550890921.db2.gz	MDMXJRDJNLMXCG-DYVFJYSZSA-N	1	0	354.520	1.184	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000579650433	550895701	/nfs/dbraw/zinc/89/57/01/550895701.db2.gz	BIRLGJWKCRCVSA-YTQUADARSA-N	1	0	370.497	1.841	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC(OCC[NH+]3CCCC3)CC2)s1	ZINC000579791667	550909959	/nfs/dbraw/zinc/90/99/59/550909959.db2.gz	XOLBKTLWSNDBKO-UHFFFAOYSA-N	1	0	369.512	1.885	20	30		FDEDRO
C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1	ZINC000579854222	550917571	/nfs/dbraw/zinc/91/75/71/550917571.db2.gz	QJKKLFUOJXKWSO-HNNXBMFYSA-N	1	0	371.485	1.909	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(c2cnccc2C#N)CC1	ZINC000580271029	550960937	/nfs/dbraw/zinc/96/09/37/550960937.db2.gz	JIRBQWDYEQDSMR-DLBZAZTESA-N	1	0	370.501	1.905	20	30		FDEDRO
CC(C)C(=O)N1CCC([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000580362731	550971147	/nfs/dbraw/zinc/97/11/47/550971147.db2.gz	ZIEMQMXBCPQIFT-GOSISDBHSA-N	1	0	359.470	1.729	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)CC1	ZINC000580559514	550995123	/nfs/dbraw/zinc/99/51/23/550995123.db2.gz	KHNNJHKAVNGLLU-QRVBRYPASA-N	1	0	362.518	1.570	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)n(CCC#N)n1	ZINC000580592477	550998387	/nfs/dbraw/zinc/99/83/87/550998387.db2.gz	XXUOQTKLZLGPQP-LSDHHAIUSA-N	1	0	358.446	1.129	20	30		FDEDRO
CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@H]1C[NH2+]CCC1(F)F	ZINC000581538526	551101466	/nfs/dbraw/zinc/10/14/66/551101466.db2.gz	MNSSSFNJRDJRAT-HNNXBMFYSA-N	1	0	352.385	1.713	20	30		FDEDRO
N#CC1(CS(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)CCC1	ZINC000582030370	551165417	/nfs/dbraw/zinc/16/54/17/551165417.db2.gz	OFGSMUAJROKENO-UHFFFAOYSA-N	1	0	357.545	1.961	20	30		FDEDRO
COC(=O)c1ccc(CC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)cc1	ZINC000582296609	551203078	/nfs/dbraw/zinc/20/30/78/551203078.db2.gz	PFWGUQZDFCFHJD-GOSISDBHSA-N	1	0	354.406	1.917	20	30		FDEDRO
COC(=O)c1ccc(CC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)cc1	ZINC000582296610	551203193	/nfs/dbraw/zinc/20/31/93/551203193.db2.gz	PFWGUQZDFCFHJD-SFHVURJKSA-N	1	0	354.406	1.917	20	30		FDEDRO
N#Cc1cc(=O)n(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cn1	ZINC000582359379	551212467	/nfs/dbraw/zinc/21/24/67/551212467.db2.gz	JLUUYLHRLZECMW-UHFFFAOYSA-N	1	0	369.450	1.302	20	30		FDEDRO
C[NH2+]CCCC(=O)N1CCC(NC(=O)Nc2snc(C)c2C#N)CC1	ZINC000583095238	551302949	/nfs/dbraw/zinc/30/29/49/551302949.db2.gz	CABSKMQCWMPJGM-UHFFFAOYSA-N	1	0	364.475	1.435	20	30		FDEDRO
C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1CC[NH+]([C@@H](C)CC)CC1	ZINC000583125889	551307250	/nfs/dbraw/zinc/30/72/50/551307250.db2.gz	FDRVSVITIBFXRC-AWEZNQCLSA-N	1	0	358.494	1.879	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC(CO)([NH2+]CC2CC2)CC1	ZINC000583148909	551310776	/nfs/dbraw/zinc/31/07/76/551310776.db2.gz	TXRMINQQLLMVKP-QAPCUYQASA-N	1	0	350.507	1.256	20	30		FDEDRO
C=CCn1c([C@@H]2COCCO2)nnc1N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1	ZINC000583675610	551385296	/nfs/dbraw/zinc/38/52/96/551385296.db2.gz	GMCIQWOFJIJHAY-NXOAAHMSSA-N	1	0	361.490	1.719	20	30		FDEDRO
CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000583807209	551404779	/nfs/dbraw/zinc/40/47/79/551404779.db2.gz	CTSABPGZCVBYII-ZMSDIMECSA-N	1	0	352.456	1.243	20	30		FDEDRO
CC(C)C[C@@H](C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)N1CCOCC1	ZINC000584130670	551451738	/nfs/dbraw/zinc/45/17/38/551451738.db2.gz	KXELFUKJFGFUTC-RBUKOAKNSA-N	1	0	361.486	1.634	20	30		FDEDRO
C=CCn1c(-c2nnn(C)c2C)nnc1N1CC[C@H]([NH+]2CCCCC2)C1	ZINC000584154949	551455549	/nfs/dbraw/zinc/45/55/49/551455549.db2.gz	ZFDNLYIZAQYFDD-HNNXBMFYSA-N	1	0	356.478	1.633	20	30		FDEDRO
C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)[C@H](O)Cc1ccccc1	ZINC000584470460	551502428	/nfs/dbraw/zinc/50/24/28/551502428.db2.gz	ZSIYLFIBDOJAFD-DNVCBOLYSA-N	1	0	358.463	1.914	20	30		FDEDRO
N#Cc1ccc(NC(=O)Cn2cnc3c(c2=O)CC[NH2+]CC3)cc1Cl	ZINC000584527905	551512308	/nfs/dbraw/zinc/51/23/08/551512308.db2.gz	ORAJPUJAUNPPJY-UHFFFAOYSA-N	1	0	357.801	1.095	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCC[C@@H](OCC)C2CCCC2)CC1	ZINC000584672504	551527669	/nfs/dbraw/zinc/52/76/69/551527669.db2.gz	WTKHZGJYYUZWKV-GOSISDBHSA-N	1	0	365.518	1.855	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H](c2ccco2)N2CCCC2)nc1	ZINC000584864539	551562342	/nfs/dbraw/zinc/56/23/42/551562342.db2.gz	UROLGCWGDWWNCQ-INIZCTEOSA-N	1	0	374.466	1.747	20	30		FDEDRO
N#CCCCCNC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000585775793	551597476	/nfs/dbraw/zinc/59/74/76/551597476.db2.gz	QFYDKFHMLAKSKJ-SFHVURJKSA-N	1	0	356.470	1.825	20	30		FDEDRO
C[C@H]1CCC[C@](CNC(=O)C(=O)NCc2ccc(C#N)cc2F)([NH+](C)C)C1	ZINC000585775504	551597505	/nfs/dbraw/zinc/59/75/05/551597505.db2.gz	JZSABBZMPGLZKC-XOBRGWDASA-N	1	0	374.460	1.940	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)[N@H+](C)C1	ZINC000585781102	551599530	/nfs/dbraw/zinc/59/95/30/551599530.db2.gz	MYHWUKMCPUXMLI-OALUTQOASA-N	1	0	356.470	1.312	20	30		FDEDRO
CC[NH+]1CCC(CCNC(=O)C(=O)NCc2ccc(C#N)cc2F)CC1	ZINC000586859221	551626739	/nfs/dbraw/zinc/62/67/39/551626739.db2.gz	WOVYSIKRGZLMIJ-UHFFFAOYSA-N	1	0	360.433	1.552	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)c(F)c1	ZINC000586861886	551627167	/nfs/dbraw/zinc/62/71/67/551627167.db2.gz	BYSQZRXCIBMDLT-UHFFFAOYSA-N	1	0	367.384	1.057	20	30		FDEDRO
C[C@H](CCNC(=O)C(=O)NCc1ccc(C#N)cc1F)[NH+]1CCCCC1	ZINC000586864034	551627487	/nfs/dbraw/zinc/62/74/87/551627487.db2.gz	IEUCAPGFXDYQNC-CQSZACIVSA-N	1	0	360.433	1.694	20	30		FDEDRO
C[NH+](C)CC[C@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)C(C)(C)C	ZINC000586864842	551628097	/nfs/dbraw/zinc/62/80/97/551628097.db2.gz	KHQAOTDEFPTMIW-INIZCTEOSA-N	1	0	362.449	1.796	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1)c1cccc(C#N)c1	ZINC000587667203	551633347	/nfs/dbraw/zinc/63/33/47/551633347.db2.gz	YWOMZGKCEPLHDU-OAHLLOKOSA-N	1	0	356.470	1.926	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)c1cccc(C#N)c1	ZINC000587730906	551635150	/nfs/dbraw/zinc/63/51/50/551635150.db2.gz	OENMRTARQZSHFP-PBHICJAKSA-N	1	0	356.470	1.972	20	30		FDEDRO
Cc1cc(C#N)nc(N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)n1	ZINC000588007602	551640420	/nfs/dbraw/zinc/64/04/20/551640420.db2.gz	QBOHIZRNOMCGBJ-KRWDZBQOSA-N	1	0	352.442	1.358	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)cc1	ZINC000588212838	551658375	/nfs/dbraw/zinc/65/83/75/551658375.db2.gz	XNDSDZZVPQUAJA-MSOLQXFVSA-N	1	0	357.454	1.437	20	30		FDEDRO
C[C@H]1[C@@H](NC(=O)NC2CCN(CC#N)CC2)CC[N@@H+]1Cc1ccccc1	ZINC000588341458	551667856	/nfs/dbraw/zinc/66/78/56/551667856.db2.gz	QWBFHKFROSSERR-LPHOPBHVSA-N	1	0	355.486	1.937	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCCC1CC1	ZINC000588686907	551676474	/nfs/dbraw/zinc/67/64/74/551676474.db2.gz	IOVDPTHFGPAUHM-UHFFFAOYSA-N	1	0	356.470	1.755	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2CC(N)=O)c(OC)c1	ZINC000588900172	551697854	/nfs/dbraw/zinc/69/78/54/551697854.db2.gz	KVBFTCDKXDYGTO-DLBZAZTESA-N	1	0	362.470	1.893	20	30		FDEDRO
C[N@H+](CCOCc1ccc(C#N)cc1)C[C@H]1CCN(S(C)(=O)=O)C1	ZINC000588978951	551702793	/nfs/dbraw/zinc/70/27/93/551702793.db2.gz	CKIPCUGNNKIWIE-QGZVFWFLSA-N	1	0	351.472	1.288	20	30		FDEDRO
C[NH+](C)C[C@H]1CN(S(=O)(=O)c2cncc(C#N)c2)c2ccccc2O1	ZINC000589283056	551722704	/nfs/dbraw/zinc/72/27/04/551722704.db2.gz	YAUFKFJURQLRIM-AWEZNQCLSA-N	1	0	358.423	1.471	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)c3cccc(C#N)n3)cn2)CC1	ZINC000589314852	551724352	/nfs/dbraw/zinc/72/43/52/551724352.db2.gz	AUPIKCWPSQZOLY-UHFFFAOYSA-N	1	0	350.426	1.420	20	30		FDEDRO
C[NH+](C)CC(=O)N1CCN(c2cccc(Br)c2C#N)CC1	ZINC000589559091	551735907	/nfs/dbraw/zinc/73/59/07/551735907.db2.gz	WJLLATBGCSEJNW-UHFFFAOYSA-N	1	0	351.248	1.531	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)[C@@H]2C1	ZINC000589930553	551752539	/nfs/dbraw/zinc/75/25/39/551752539.db2.gz	ZYQXOCVZNOLYQO-SMDDNHRTSA-N	1	0	359.373	1.902	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)CN2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1	ZINC000590012308	551757006	/nfs/dbraw/zinc/75/70/06/551757006.db2.gz	QLBINXMLDBFYOP-APWZRJJASA-N	1	0	356.470	1.968	20	30		FDEDRO
N#Cc1cccc(OCCCCC(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)c1	ZINC000590549696	551790946	/nfs/dbraw/zinc/79/09/46/551790946.db2.gz	NTOLXYQWCVBKPD-ROUUACIJSA-N	1	0	357.454	1.775	20	30		FDEDRO
COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1	ZINC000590550251	551791029	/nfs/dbraw/zinc/79/10/29/551791029.db2.gz	OMPXLVQBMOZLOY-IAGOWNOFSA-N	1	0	373.453	1.393	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCSC[C@@H]2C2CC2)CC1	ZINC000590758739	551813328	/nfs/dbraw/zinc/81/33/28/551813328.db2.gz	NGUYJLDHMFUPQF-DLBZAZTESA-N	1	0	350.532	1.506	20	30		FDEDRO
CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2cccc(CC#N)c2)CC1	ZINC000590765268	551814774	/nfs/dbraw/zinc/81/47/74/551814774.db2.gz	XDOHRFADYNAOJD-UHFFFAOYSA-N	1	0	364.515	1.447	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1	ZINC000590781307	551815858	/nfs/dbraw/zinc/81/58/58/551815858.db2.gz	ZURXXIRDWCGRKU-SFHVURJKSA-N	1	0	370.453	1.404	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)[C@@H]2C1	ZINC000590785869	551816598	/nfs/dbraw/zinc/81/65/98/551816598.db2.gz	MFVZRPUYQZEWMC-XJKSGUPXSA-N	1	0	370.453	1.837	20	30		FDEDRO
CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC[C@H]1[NH3+]	ZINC000591304103	551859151	/nfs/dbraw/zinc/85/91/51/551859151.db2.gz	NLJQKAWEEVEAFG-CZUORRHYSA-N	1	0	358.442	1.870	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc1F	ZINC000591308388	551860027	/nfs/dbraw/zinc/86/00/27/551860027.db2.gz	NDBSIWQZANVJDL-KBPBESRZSA-N	1	0	358.417	1.874	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccc1C#N	ZINC000591308342	551860078	/nfs/dbraw/zinc/86/00/78/551860078.db2.gz	RDZZSCRRBHUCQE-HZPDHXFCSA-N	1	0	355.442	1.438	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccc1C#N	ZINC000591308335	551860105	/nfs/dbraw/zinc/86/01/05/551860105.db2.gz	RDZZSCRRBHUCQE-CVEARBPZSA-N	1	0	355.442	1.438	20	30		FDEDRO
CN(C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)C1CC([NH3+])C1	ZINC000591308726	551860361	/nfs/dbraw/zinc/86/03/61/551860361.db2.gz	VHSHEAUGNDUXQV-UHFFFAOYSA-N	1	0	365.393	1.632	20	30		FDEDRO
N#Cc1cccc(CNC(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1	ZINC000591340719	551864231	/nfs/dbraw/zinc/86/42/31/551864231.db2.gz	KUWIVBFHJOCDAT-ZWKOTPCHSA-N	1	0	369.469	1.348	20	30		FDEDRO
C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000591360295	551866173	/nfs/dbraw/zinc/86/61/73/551866173.db2.gz	INIRQUULICMZSE-OCCSQVGLSA-N	1	0	358.446	1.253	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC[NH2+]1	ZINC000591361115	551866180	/nfs/dbraw/zinc/86/61/80/551866180.db2.gz	DBDUZOSXOUMENP-OCCSQVGLSA-N	1	0	358.446	1.396	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)c(F)c1	ZINC000591388822	551867182	/nfs/dbraw/zinc/86/71/82/551867182.db2.gz	BPNUIRJEVCLFHO-UHFFFAOYSA-N	1	0	368.412	1.691	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)c(F)c1	ZINC000591388859	551867233	/nfs/dbraw/zinc/86/72/33/551867233.db2.gz	OCPRTJGLFRBART-FUHWJXTLSA-N	1	0	372.444	1.694	20	30		FDEDRO
N#Cc1ccccc1-c1ccc(CNC(=O)C(=O)NCC[NH2+]C2CC2)cc1	ZINC000591410349	551868408	/nfs/dbraw/zinc/86/84/08/551868408.db2.gz	RCVSRZYVFHISFY-UHFFFAOYSA-N	1	0	362.433	1.710	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCN(C3CCCCC3)C2=O)cc1	ZINC000591755962	551906292	/nfs/dbraw/zinc/90/62/92/551906292.db2.gz	CNZHMMHKACQKML-PKOBYXMFSA-N	1	0	357.454	1.821	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCOC3(CCOCC3)C2)cc1	ZINC000591756639	551906419	/nfs/dbraw/zinc/90/64/19/551906419.db2.gz	LDDXQQWTKFBFCD-MSOLQXFVSA-N	1	0	360.454	1.810	20	30		FDEDRO
CS(=O)(=O)c1cccc(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)c1	ZINC000591770554	551907623	/nfs/dbraw/zinc/90/76/23/551907623.db2.gz	IUVVKTNAYDKBDY-INIZCTEOSA-N	1	0	360.435	1.491	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@H](C(=O)OC)C[C@H](O)C1)C(C)C	ZINC000591910450	551915889	/nfs/dbraw/zinc/91/58/89/551915889.db2.gz	CYVIYCCGJAHCJB-IXDOHACOSA-N	1	0	367.490	1.250	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](Nc3nc(N)[nH+]c4c3CCCC4)C2=O)cc1	ZINC000591929849	551917575	/nfs/dbraw/zinc/91/75/75/551917575.db2.gz	YLDWYIOHUNBWQR-QGZVFWFLSA-N	1	0	362.437	1.839	20	30		FDEDRO
CC1CC[NH+](C[C@H](O)CNS(=O)(=O)Cc2ccc(CC#N)cc2)CC1	ZINC000592031040	551929077	/nfs/dbraw/zinc/92/90/77/551929077.db2.gz	SEVPHWVIQUTCLQ-GOSISDBHSA-N	1	0	365.499	1.265	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)c3cnn([C@H]4CCC[NH2+]C4)c3)CC2)c1	ZINC000592258356	551968739	/nfs/dbraw/zinc/96/87/39/551968739.db2.gz	QINRKAVIRNOQKX-KRWDZBQOSA-N	1	0	365.441	1.037	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)n1	ZINC000592283258	551971946	/nfs/dbraw/zinc/97/19/46/551971946.db2.gz	NSJAIBCJGHWILX-UHFFFAOYSA-N	1	0	363.421	1.456	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2C#N)CCO1	ZINC000592374746	551985928	/nfs/dbraw/zinc/98/59/28/551985928.db2.gz	QBSLFJPYFIAMQI-SKDRFNHKSA-N	1	0	374.260	1.057	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1	ZINC000592381609	551986328	/nfs/dbraw/zinc/98/63/28/551986328.db2.gz	YVIIWOFWOSDSBS-GWCFXTLKSA-N	1	0	370.272	1.693	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@H]2C1	ZINC000592381611	551986404	/nfs/dbraw/zinc/98/64/04/551986404.db2.gz	YVIIWOFWOSDSBS-MFKMUULPSA-N	1	0	370.272	1.693	20	30		FDEDRO
C[N@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1cnc2c(C#N)cnn2c1	ZINC000592516389	552004246	/nfs/dbraw/zinc/00/42/46/552004246.db2.gz	MBTKUYZWGMZENF-UHFFFAOYSA-N	1	0	374.404	1.719	20	30		FDEDRO
CSc1nc(C2CC2)cc(C(=O)NCCN2CC[NH+](C)CC2)c1C#N	ZINC000592747143	552023342	/nfs/dbraw/zinc/02/33/42/552023342.db2.gz	KVQMVZIHHXTUEV-UHFFFAOYSA-N	1	0	359.499	1.530	20	30		FDEDRO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(C)(C)Oc1ccc(C#N)cc1	ZINC000592871541	552037498	/nfs/dbraw/zinc/03/74/98/552037498.db2.gz	JJLMNMLMRUOUEV-CQSZACIVSA-N	1	0	358.442	1.294	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)CN2CCC(CO)([NH2+]CC3CC3)CC2)cc1	ZINC000593033646	552054567	/nfs/dbraw/zinc/05/45/67/552054567.db2.gz	ZBNXUIASQKPSGC-LJQANCHMSA-N	1	0	373.497	1.319	20	30		FDEDRO
CCN(CCC#N)C(=O)CN1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21	ZINC000593067339	552057750	/nfs/dbraw/zinc/05/77/50/552057750.db2.gz	JZAZYVIZLSMJDS-UXHICEINSA-N	1	0	370.497	1.724	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2Cc3cccc(C#N)c3C2)C1	ZINC000593126011	552065173	/nfs/dbraw/zinc/06/51/73/552065173.db2.gz	PFONDNYXBAOOJW-SFHVURJKSA-N	1	0	356.470	1.347	20	30		FDEDRO
N#Cc1cccc(CN2CCC([NH2+][C@@H](C3CC3)[C@H]3CNCCO3)CC2)c1	ZINC000593324563	552089749	/nfs/dbraw/zinc/08/97/49/552089749.db2.gz	XFXXUTWEYPLVHH-RTWAWAEBSA-N	1	0	354.498	1.879	20	30		FDEDRO
Cn1nccc1COCC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593348201	552093782	/nfs/dbraw/zinc/09/37/82/552093782.db2.gz	JEUAHIRBYCYXFK-UHFFFAOYSA-N	1	0	367.453	1.589	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)COC3CCOCC3)CC2)c1	ZINC000593353315	552094505	/nfs/dbraw/zinc/09/45/05/552094505.db2.gz	JYSZSANMDVARFV-UHFFFAOYSA-N	1	0	357.454	1.834	20	30		FDEDRO
C[C@@H]1CC(=O)NCCN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593512780	552120104	/nfs/dbraw/zinc/12/01/04/552120104.db2.gz	SNVUVZCVHCAMBT-OAHLLOKOSA-N	1	0	369.469	1.443	20	30		FDEDRO
CC(C)[C@@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C(N)=O	ZINC000593514170	552120552	/nfs/dbraw/zinc/12/05/52/552120552.db2.gz	SCDNQBJZDDBFEL-QGZVFWFLSA-N	1	0	357.458	1.332	20	30		FDEDRO
C[C@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC(=O)N1C	ZINC000593514679	552120608	/nfs/dbraw/zinc/12/06/08/552120608.db2.gz	YUGCYSVNWFAVDW-HNNXBMFYSA-N	1	0	369.469	1.395	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C#N)cc2C(=O)OC)C1	ZINC000593538854	552126850	/nfs/dbraw/zinc/12/68/50/552126850.db2.gz	RHSJSCUKDLNUQO-AWEZNQCLSA-N	1	0	365.455	1.355	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3ccsc3C#N)C2)CC1	ZINC000593545162	552129120	/nfs/dbraw/zinc/12/91/20/552129120.db2.gz	YFFYVQPMQSDKDR-CYBMUJFWSA-N	1	0	354.501	1.020	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3ccsc3C#N)C2)CC1	ZINC000593563022	552135203	/nfs/dbraw/zinc/13/52/03/552135203.db2.gz	KEOWRSSRMMIWBH-CQSZACIVSA-N	1	0	368.528	1.409	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N(CC[NH+](C)C)C(C)C	ZINC000593567092	552137044	/nfs/dbraw/zinc/13/70/44/552137044.db2.gz	LYXCKMUOIFABPT-UHFFFAOYSA-N	1	0	353.444	1.306	20	30		FDEDRO
COc1cc(CNC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)ccc1C#N	ZINC000593710085	552179576	/nfs/dbraw/zinc/17/95/76/552179576.db2.gz	FRSNBVCSPOYGMZ-SCTDSRPQSA-N	1	0	372.469	1.995	20	30		FDEDRO
Cn1cc(NC(=O)C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cn1	ZINC000593724103	552183267	/nfs/dbraw/zinc/18/32/67/552183267.db2.gz	VGIHZGNEYJWSTJ-UHFFFAOYSA-N	1	0	366.425	1.011	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1	ZINC000593732509	552186073	/nfs/dbraw/zinc/18/60/73/552186073.db2.gz	OPUUXDKBDKQIMI-GVDBMIGSSA-N	1	0	363.483	1.916	20	30		FDEDRO
N#Cc1ccsc1NC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000593766812	552194168	/nfs/dbraw/zinc/19/41/68/552194168.db2.gz	JYAIBEAEZOLNTC-IHRRRGAJSA-N	1	0	362.455	1.303	20	30		FDEDRO
C[NH2+]Cc1ccccc1CNC(=O)C(=O)N[C@H](C)c1cccc(C#N)c1	ZINC000593766295	552194214	/nfs/dbraw/zinc/19/42/14/552194214.db2.gz	CSXOUXMMFALBBB-CQSZACIVSA-N	1	0	350.422	1.771	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1	ZINC000593768231	552194583	/nfs/dbraw/zinc/19/45/83/552194583.db2.gz	XEYOGEOOXWQNRB-ZOBUZTSGSA-N	1	0	356.426	1.242	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)c3c[nH]c(C(N)=O)c3)CC2)c1	ZINC000593884198	552216809	/nfs/dbraw/zinc/21/68/09/552216809.db2.gz	USSNCZVFVKLRQF-UHFFFAOYSA-N	1	0	351.410	1.380	20	30		FDEDRO
CC(C)(C)[C@H](NC(N)=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593886142	552217358	/nfs/dbraw/zinc/21/73/58/552217358.db2.gz	ORJYKBDVRCJLSK-QGZVFWFLSA-N	1	0	371.485	1.722	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2Cc3cccc(C#N)c3C2)CC1=O	ZINC000593892936	552218908	/nfs/dbraw/zinc/21/89/08/552218908.db2.gz	YOCIPJBMTBHGKZ-QZTJIDSGSA-N	1	0	366.465	1.733	20	30		FDEDRO
CC(C)OCCNC(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593928911	552228093	/nfs/dbraw/zinc/22/80/93/552228093.db2.gz	SPZGNBHXEYDSNU-UHFFFAOYSA-N	1	0	372.469	1.180	20	30		FDEDRO
CCOCCN(C)C(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593934367	552229156	/nfs/dbraw/zinc/22/91/56/552229156.db2.gz	SSRYXWFFMJNDAL-UHFFFAOYSA-N	1	0	372.469	1.134	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1	ZINC000594026705	552240678	/nfs/dbraw/zinc/24/06/78/552240678.db2.gz	IIUJNFMWWWDRDU-YZGWKJHDSA-N	1	0	370.497	1.689	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)C(=O)NCC(=O)NCC[NH+]1CCCCCC1	ZINC000594038111	552242336	/nfs/dbraw/zinc/24/23/36/552242336.db2.gz	IXFFFVUFDWJCQR-QGZVFWFLSA-N	1	0	370.497	1.845	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1	ZINC000594067051	552245653	/nfs/dbraw/zinc/24/56/53/552245653.db2.gz	YAMHWHCDEFYIFZ-NWDGAFQWSA-N	1	0	352.341	1.442	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1	ZINC000594105953	552249663	/nfs/dbraw/zinc/24/96/63/552249663.db2.gz	JZAOJAZATFONJK-FZNQNYSPSA-N	1	0	354.458	1.607	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1C#N	ZINC000594312484	552285265	/nfs/dbraw/zinc/28/52/65/552285265.db2.gz	RMZDUYSORLYXOB-SOUVJXGZSA-N	1	0	358.442	1.419	20	30		FDEDRO
CCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)CC1	ZINC000594314658	552285540	/nfs/dbraw/zinc/28/55/40/552285540.db2.gz	GOZZTMHYZLSQQC-UHFFFAOYSA-N	1	0	360.462	1.377	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)n(CCC#N)n1	ZINC000594325413	552288396	/nfs/dbraw/zinc/28/83/96/552288396.db2.gz	FFDUXJHDODJFOM-LSDHHAIUSA-N	1	0	358.446	1.177	20	30		FDEDRO
C[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)N1CCN(c2ccccc2)CC1	ZINC000594438803	552310171	/nfs/dbraw/zinc/31/01/71/552310171.db2.gz	LSNXYPKFGIESFT-PKOBYXMFSA-N	1	0	357.502	1.725	20	30		FDEDRO
Cc1cccc([C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)N2CCOCC2)c1	ZINC000594441727	552310847	/nfs/dbraw/zinc/31/08/47/552310847.db2.gz	VWDUJMHMCDHWSY-OALUTQOASA-N	1	0	358.486	1.896	20	30		FDEDRO
Cc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)N2CCOCC2)cc1	ZINC000594440916	552311134	/nfs/dbraw/zinc/31/11/34/552311134.db2.gz	JFYLOYLWVOJGBL-RBUKOAKNSA-N	1	0	358.486	1.896	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1	ZINC000594442439	552311614	/nfs/dbraw/zinc/31/16/14/552311614.db2.gz	GHUQGLZRSCHUTG-CVEARBPZSA-N	1	0	370.432	1.926	20	30		FDEDRO
CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]([NH3+])CCCCC#N)CC2	ZINC000594448039	552312690	/nfs/dbraw/zinc/31/26/90/552312690.db2.gz	YWKNNJYSJHVJFD-OAHLLOKOSA-N	1	0	364.471	1.237	20	30		FDEDRO
N#Cc1ccc(C2(NC(=O)c3cn([C@@H]4CCC[NH2+]C4)nn3)CCC2)cc1	ZINC000594450810	552313325	/nfs/dbraw/zinc/31/33/25/552313325.db2.gz	UGROYEWHAZKMKO-MRXNPFEDSA-N	1	0	350.426	1.883	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+]C3CCN([C@@H]4CCOC4)CC3)CC2)nc1	ZINC000594493968	552325986	/nfs/dbraw/zinc/32/59/86/552325986.db2.gz	CNSNZMIZFZWOJT-LJQANCHMSA-N	1	0	355.486	1.765	20	30		FDEDRO
N#Cc1ccc(OC2CCC(NC(=O)N[C@@H](C[NH3+])C(F)(F)F)CC2)nc1	ZINC000594523995	552327773	/nfs/dbraw/zinc/32/77/73/552327773.db2.gz	GTJAPYZPOKPLTE-BPCQOVAHSA-N	1	0	371.363	1.832	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F)cc1C(F)(F)F	ZINC000594532298	552329701	/nfs/dbraw/zinc/32/97/01/552329701.db2.gz	MUYPEHQNXYWSKJ-SECBINFHSA-N	1	0	368.237	1.521	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F)c1	ZINC000594532516	552329721	/nfs/dbraw/zinc/32/97/21/552329721.db2.gz	CCQARCFPSXZAMI-VIFPVBQESA-N	1	0	366.246	1.104	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1	ZINC000594533689	552330070	/nfs/dbraw/zinc/33/00/70/552330070.db2.gz	SNAVUVDLMVQXBG-HDICACEKSA-N	1	0	356.470	1.752	20	30		FDEDRO
C[C@H](C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1)N1C[C@@H](C)O[C@@H](C)C1	ZINC000594577668	552336636	/nfs/dbraw/zinc/33/66/36/552336636.db2.gz	YFERFKPUMHHWBB-VXNCWWDNSA-N	1	0	361.486	1.580	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc(C#N)c1	ZINC000594620700	552342764	/nfs/dbraw/zinc/34/27/64/552342764.db2.gz	KXOVHHNEVCDXAW-JCGIZDLHSA-N	1	0	354.454	1.869	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c(F)c1	ZINC000594621186	552342799	/nfs/dbraw/zinc/34/27/99/552342799.db2.gz	RNMBSDBLPZZAOD-DLBZAZTESA-N	1	0	358.417	1.447	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12	ZINC000594625528	552344458	/nfs/dbraw/zinc/34/44/58/552344458.db2.gz	KJAZDQRJGJXKTA-ROUUACIJSA-N	1	0	354.454	1.650	20	30		FDEDRO
CC(=O)NCc1ccc(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cc1	ZINC000594718230	552362899	/nfs/dbraw/zinc/36/28/99/552362899.db2.gz	LFJDMTGQHCDGCZ-UHFFFAOYSA-N	1	0	371.462	1.758	20	30		FDEDRO
C[C@@H](CCNS(=O)(=O)c1cccc(Br)c1C#N)[NH+](C)C	ZINC000594821915	552398742	/nfs/dbraw/zinc/39/87/42/552398742.db2.gz	PSZQEJGXKFVVTM-JTQLQIEISA-N	1	0	360.277	1.939	20	30		FDEDRO
CCN(C(=O)C(=O)Nc1cccc(OCCCC#N)c1)[C@@H]1CC[N@H+](C)C1	ZINC000595102484	552451049	/nfs/dbraw/zinc/45/10/49/552451049.db2.gz	ISWOVIFOJPLWFJ-MRXNPFEDSA-N	1	0	358.442	1.860	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1C#N	ZINC000595113928	552455082	/nfs/dbraw/zinc/45/50/82/552455082.db2.gz	PLSOPGVXVCUPLB-DJIMGWMZSA-N	1	0	364.471	1.311	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1	ZINC000595114391	552455724	/nfs/dbraw/zinc/45/57/24/552455724.db2.gz	ZHVPXJNPXNYFLG-BZSNNMDCSA-N	1	0	363.483	1.606	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1C#N	ZINC000595119884	552457096	/nfs/dbraw/zinc/45/70/96/552457096.db2.gz	LTIKUVBXBUBKSX-QZTJIDSGSA-N	1	0	356.451	1.686	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[C@@](C)(C#N)C1	ZINC000595132851	552462360	/nfs/dbraw/zinc/46/23/60/552462360.db2.gz	UVYZWFPJUGJDEW-IBGZPJMESA-N	1	0	360.433	1.478	20	30		FDEDRO
C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)C1	ZINC000595162639	552473181	/nfs/dbraw/zinc/47/31/81/552473181.db2.gz	MJGBJLRHGAIJKZ-FXAWDEMLSA-N	1	0	354.454	1.481	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)CC[N@@H+]1Cc1ccccc1	ZINC000595173143	552477390	/nfs/dbraw/zinc/47/73/90/552477390.db2.gz	WOHWEKQUDOXNIR-UTKZUKDTSA-N	1	0	368.481	1.872	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1	ZINC000595180240	552480396	/nfs/dbraw/zinc/48/03/96/552480396.db2.gz	YYKBTFSAALQSCI-NVXWUHKLSA-N	1	0	365.543	1.887	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c(F)c1	ZINC000595197638	552487102	/nfs/dbraw/zinc/48/71/02/552487102.db2.gz	VCZJLJJZWKRYFQ-AWEZNQCLSA-N	1	0	360.389	1.005	20	30		FDEDRO
N#CCC1CCN(C(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1	ZINC000595238990	552502324	/nfs/dbraw/zinc/50/23/24/552502324.db2.gz	KOIJSIWQFOWOLT-QGZVFWFLSA-N	1	0	356.426	1.438	20	30		FDEDRO
CC(C)(CCC#N)CNC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1	ZINC000595239193	552502362	/nfs/dbraw/zinc/50/23/62/552502362.db2.gz	QEEFWGMKSHFTIJ-INIZCTEOSA-N	1	0	358.442	1.732	20	30		FDEDRO
C[C@@]1(C#N)CCCN(C(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C1	ZINC000595239688	552502392	/nfs/dbraw/zinc/50/23/92/552502392.db2.gz	XIFRBKFEFISZCH-APWZRJJASA-N	1	0	356.426	1.438	20	30		FDEDRO
CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	ZINC000595240874	552502789	/nfs/dbraw/zinc/50/27/89/552502789.db2.gz	WPEAPIYNYBSMOF-UHFFFAOYSA-N	1	0	367.409	1.880	20	30		FDEDRO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC12CC(C1)C[NH2+]2	ZINC000595247256	552504241	/nfs/dbraw/zinc/50/42/41/552504241.db2.gz	DBQDCMYBLYATCD-ZVLZOBCMSA-N	1	0	358.467	1.745	20	30		FDEDRO
CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000595278604	552510601	/nfs/dbraw/zinc/51/06/01/552510601.db2.gz	QAMDEIUIMZHWQS-GOSISDBHSA-N	1	0	372.469	1.418	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])CCCCC1	ZINC000595278897	552510669	/nfs/dbraw/zinc/51/06/69/552510669.db2.gz	SOMPRFCIIYRHMS-QGZVFWFLSA-N	1	0	354.454	1.661	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)c1cccc(C#N)c1	ZINC000595278123	552510694	/nfs/dbraw/zinc/51/06/94/552510694.db2.gz	CUGLJGSMUXEEMJ-BEFAXECRSA-N	1	0	368.481	1.974	20	30		FDEDRO
C[C@H]1C[NH+](CCN2CCN(c3oc(C4CC4)nc3C#N)CC2)C[C@H](C)O1	ZINC000595355666	552535149	/nfs/dbraw/zinc/53/51/49/552535149.db2.gz	DUVXVNYIMNJIMV-GJZGRUSLSA-N	1	0	359.474	1.655	20	30		FDEDRO
C[NH+](C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)c1ccc(C#N)o1	ZINC000595403740	552551069	/nfs/dbraw/zinc/55/10/69/552551069.db2.gz	JWXGNIRFWLLLFB-ZDUSSCGKSA-N	1	0	353.444	1.415	20	30		FDEDRO
C[NH+](C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)CC(C)(C)CC#N	ZINC000595404299	552551219	/nfs/dbraw/zinc/55/12/19/552551219.db2.gz	SWLDFRIOVFYMCT-HNNXBMFYSA-N	1	0	357.520	1.831	20	30		FDEDRO
N#CC1(CCC[NH+]2CCC(NC(=O)N3CCOCC3)CC2)CCOCC1	ZINC000595552390	552583229	/nfs/dbraw/zinc/58/32/29/552583229.db2.gz	URNFXFQDOXOZMS-UHFFFAOYSA-N	1	0	364.490	1.593	20	30		FDEDRO
COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN([C@@H](C)C(=O)NC2(C#N)CCC2)C1	ZINC000595620600	552593771	/nfs/dbraw/zinc/59/37/71/552593771.db2.gz	GPIXHCHZNTUPAX-TUAOUCFPSA-N	1	0	361.364	1.611	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C	ZINC000595663898	552599571	/nfs/dbraw/zinc/59/95/71/552599571.db2.gz	NGIPNDZITQMUEX-GJZGRUSLSA-N	1	0	371.489	1.441	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000595665781	552600122	/nfs/dbraw/zinc/60/01/22/552600122.db2.gz	XLXXVDXDJSTTNP-HZPDHXFCSA-N	1	0	357.458	1.989	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N1CCN(c2cnccc2C#N)CC1	ZINC000595665515	552600254	/nfs/dbraw/zinc/60/02/54/552600254.db2.gz	VGWVVEUHYRCNMM-MRXNPFEDSA-N	1	0	356.474	1.658	20	30		FDEDRO
N#Cc1cccc(C2([NH2+]C[C@H](O)COC[C@H]3CCCO3)CCOCC2)c1	ZINC000595772553	552613442	/nfs/dbraw/zinc/61/34/42/552613442.db2.gz	IOVKLIFVAXQHHG-RBUKOAKNSA-N	1	0	360.454	1.710	20	30		FDEDRO
C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCN(c2cccc(C#N)n2)CC1	ZINC000595789106	552615413	/nfs/dbraw/zinc/61/54/13/552615413.db2.gz	VRLBTQZMWGUYBC-KRWDZBQOSA-N	1	0	370.501	1.905	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](N3CCC([N@@H+]4CC[C@H](O)C4)CC3)C2=O)cc1	ZINC000595864899	552625451	/nfs/dbraw/zinc/62/54/51/552625451.db2.gz	WWLKRPIQYZBZHU-PMACEKPBSA-N	1	0	368.481	1.585	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(CCC(=O)Nc2sccc2C#N)CCO1	ZINC000595905885	552631493	/nfs/dbraw/zinc/63/14/93/552631493.db2.gz	WYRLEYYJNATFAT-HNNXBMFYSA-N	1	0	350.488	1.991	20	30		FDEDRO
CN1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1	ZINC000595948516	552637165	/nfs/dbraw/zinc/63/71/65/552637165.db2.gz	MCSYLUYYVLIMKK-MOPGFXCFSA-N	1	0	357.502	1.330	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CCN(C(=O)C[C@@H]4CC[NH2+]C4)CC3)n[nH]2)cc1	ZINC000595972598	552640578	/nfs/dbraw/zinc/64/05/78/552640578.db2.gz	XAJJSNOFLFUSDH-INIZCTEOSA-N	1	0	364.453	1.597	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]C2CCN([C@@H]3CCOC3)CC2)c1	ZINC000596065511	552651569	/nfs/dbraw/zinc/65/15/69/552651569.db2.gz	JSNANKBHSWDVHJ-QGZVFWFLSA-N	1	0	363.483	1.175	20	30		FDEDRO
N#Cc1ccnc(NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1[N+](=O)[O-]	ZINC000596422172	552677630	/nfs/dbraw/zinc/67/76/30/552677630.db2.gz	CBTIGGMEJMEVFC-INIZCTEOSA-N	1	0	353.382	2.040	20	30		FDEDRO
C[C@@H]1CN(CCNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)[C@H](C)CO1	ZINC000596429267	552678397	/nfs/dbraw/zinc/67/83/97/552678397.db2.gz	IXKYMFKCSBTTMX-CHWSQXEVSA-N	1	0	355.398	2.536	20	30		FDEDRO
COCc1n[nH]c(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1	ZINC000596749914	552706861	/nfs/dbraw/zinc/70/68/61/552706861.db2.gz	PAZYKJXRUQRBIE-UHFFFAOYSA-N	1	0	371.445	1.096	20	30		FDEDRO
N#CCCn1ccc(=NC(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)[nH]1	ZINC000596753387	552707416	/nfs/dbraw/zinc/70/74/16/552707416.db2.gz	QDGZXLXFNMOALA-KRWDZBQOSA-N	1	0	368.441	1.685	20	30		FDEDRO
CCC(CC)[C@@H](CNC(=O)CC1(C#N)CCOCC1)[NH+]1CCOCC1	ZINC000596782662	552709710	/nfs/dbraw/zinc/70/97/10/552709710.db2.gz	BJUPVINTTVXALF-QGZVFWFLSA-N	1	0	351.491	1.950	20	30		FDEDRO
Cc1ccc(-n2nc(CCCNC(=O)C3([NH+](C)C)CC3)c(C#N)c2N)cc1	ZINC000596801606	552712182	/nfs/dbraw/zinc/71/21/82/552712182.db2.gz	NUTXNXTYVVJOAA-UHFFFAOYSA-N	1	0	366.469	1.778	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccnc2c1CC(=O)N2	ZINC000596828541	552715052	/nfs/dbraw/zinc/71/50/52/552715052.db2.gz	LVHGIQIHKHYVLK-UHFFFAOYSA-N	1	0	363.421	1.652	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnc2n1CCOC2	ZINC000596973406	552730218	/nfs/dbraw/zinc/73/02/18/552730218.db2.gz	ICZSLXFOIONBSH-UHFFFAOYSA-N	1	0	353.426	1.489	20	30		FDEDRO
N#Cc1c(F)cc(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1F	ZINC000597078344	552744274	/nfs/dbraw/zinc/74/42/74/552744274.db2.gz	MRICUUWTQWTSBC-LLVKDONJSA-N	1	0	350.369	1.154	20	30		FDEDRO
CCOC(=O)Cc1c2ccccc2[nH]c1C(=O)NC1(C#N)CC[NH+](C)CC1	ZINC000597166904	552756558	/nfs/dbraw/zinc/75/65/58/552756558.db2.gz	TWSLYVJMUBBOAJ-UHFFFAOYSA-N	1	0	368.437	1.991	20	30		FDEDRO
C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCc1ccc(C#N)cc1F	ZINC000597241370	552764432	/nfs/dbraw/zinc/76/44/32/552764432.db2.gz	DQUOZTVPMUGLCK-AWEZNQCLSA-N	1	0	360.433	1.550	20	30		FDEDRO
C[C@H]1CN(C(=O)c2cc(F)c(C#N)c(F)c2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000597468803	552792806	/nfs/dbraw/zinc/79/28/06/552792806.db2.gz	USPXPPZXAZEUGE-SCLBCKFNSA-N	1	0	362.424	1.934	20	30		FDEDRO
CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)CCCCC#N	ZINC000597655295	552818304	/nfs/dbraw/zinc/81/83/04/552818304.db2.gz	BTADLAJMLBCZON-UHFFFAOYSA-N	1	0	370.453	1.757	20	30		FDEDRO
C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1	ZINC000597676962	552820645	/nfs/dbraw/zinc/82/06/45/552820645.db2.gz	DVIQAXMNQHOJJQ-APWZRJJASA-N	1	0	366.465	1.952	20	30		FDEDRO
CN1CC[NH+](CC2CN(C(=O)C3(c4cc(F)cc(C#N)c4)CC3)C2)CC1	ZINC000597693053	552822930	/nfs/dbraw/zinc/82/29/30/552822930.db2.gz	ABPXKXRXEAYTOD-UHFFFAOYSA-N	1	0	356.445	1.435	20	30		FDEDRO
N#Cc1ccc(N2C[C@H](C(=O)N3CC[N@@H+]4CC[C@H]3C4)CC2=O)cc1Cl	ZINC000597707426	552824648	/nfs/dbraw/zinc/82/46/48/552824648.db2.gz	ADGVREBMPMDWMY-HIFRSBDPSA-N	1	0	358.829	1.481	20	30		FDEDRO
N#Cc1cc(O)cc(C(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1	ZINC000597989690	552853271	/nfs/dbraw/zinc/85/32/71/552853271.db2.gz	HOLVUVZMHUHFHI-SFHVURJKSA-N	1	0	351.406	1.760	20	30		FDEDRO
Cc1onc(CC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)c1C#N	ZINC000598062514	552862315	/nfs/dbraw/zinc/86/23/15/552862315.db2.gz	PUFLUHZCKAOWMM-UHFFFAOYSA-N	1	0	353.426	1.821	20	30		FDEDRO
C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)CNc2ccc(C#N)cn2)C1	ZINC000598195877	552875043	/nfs/dbraw/zinc/87/50/43/552875043.db2.gz	VJRNRNZLTIVLPC-LJQANCHMSA-N	1	0	363.465	2.141	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CCO1	ZINC000598540329	552907287	/nfs/dbraw/zinc/90/72/87/552907287.db2.gz	NZMFVSPTPIUFSZ-DNVCBOLYSA-N	1	0	367.490	1.817	20	30		FDEDRO
Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C[C@H](O)CC(C)(C)C#N	ZINC000598590481	552912361	/nfs/dbraw/zinc/91/23/61/552912361.db2.gz	ZQINFPSAXTYBQM-RHSMWYFYSA-N	1	0	355.442	1.416	20	30		FDEDRO
COCCS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)cc1	ZINC000598725628	552928565	/nfs/dbraw/zinc/92/85/65/552928565.db2.gz	XSICTFPAEUYVPB-HNNXBMFYSA-N	1	0	354.472	1.497	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1	ZINC000598731306	552928788	/nfs/dbraw/zinc/92/87/88/552928788.db2.gz	JTHVZSZJQLPZOG-XLIONFOSSA-N	1	0	354.454	1.637	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H](CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000598982613	552953742	/nfs/dbraw/zinc/95/37/42/552953742.db2.gz	LTZYUQJKGCKEKR-KRWDZBQOSA-N	1	0	370.501	1.953	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)NCCOCCC[NH3+])ccc1C(F)(F)F	ZINC000599110065	552969161	/nfs/dbraw/zinc/96/91/61/552969161.db2.gz	DZZMPDNBPLTXSB-UHFFFAOYSA-N	1	0	351.350	1.221	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]1CCCC[N@H+](C)C1	ZINC000599156685	552976032	/nfs/dbraw/zinc/97/60/32/552976032.db2.gz	IIQHXIUKPIETNC-HOTGVXAUSA-N	1	0	371.489	1.300	20	30		FDEDRO
COC(=O)c1cnn(CC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1	ZINC000599197874	552983034	/nfs/dbraw/zinc/98/30/34/552983034.db2.gz	BKBINVLKDPAFCU-UHFFFAOYSA-N	1	0	369.425	1.132	20	30		FDEDRO
CCN(CC)C(=O)C1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1	ZINC000599274882	553012140	/nfs/dbraw/zinc/01/21/40/553012140.db2.gz	GCROOSUEHUFABF-KRWDZBQOSA-N	1	0	351.491	1.638	20	30		FDEDRO
N#Cc1ccccc1N1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1	ZINC000599280278	553013821	/nfs/dbraw/zinc/01/38/21/553013821.db2.gz	ALRVSBNYVFKDLJ-GOSISDBHSA-N	1	0	354.454	1.752	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH+]2CCC(c3nnc4ccccn43)CC2)CCOCC1	ZINC000599293571	553017864	/nfs/dbraw/zinc/01/78/64/553017864.db2.gz	ZUBGMAYSUMFGQB-QGZVFWFLSA-N	1	0	369.469	1.980	20	30		FDEDRO
CCCC[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)[C@H]1CCS(=O)(=O)C1	ZINC000599326876	553028426	/nfs/dbraw/zinc/02/84/26/553028426.db2.gz	OUPYWSGPWNWBOO-HOTGVXAUSA-N	1	0	358.504	1.347	20	30		FDEDRO
C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CC1)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000599350694	553034388	/nfs/dbraw/zinc/03/43/88/553034388.db2.gz	YBLQXUFIAIEJEF-UKRRQHHQSA-N	1	0	351.472	1.642	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(C[C@@H](O)CC2(C#N)CCOCC2)CC1	ZINC000599389900	553042986	/nfs/dbraw/zinc/04/29/86/553042986.db2.gz	AVNXYDNEQJGHHP-INIZCTEOSA-N	1	0	360.458	1.284	20	30		FDEDRO
CNC(=O)C[C@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)c1ccccc1	ZINC000599393633	553044105	/nfs/dbraw/zinc/04/41/05/553044105.db2.gz	LSDPAINVCZTDDI-MSOLQXFVSA-N	1	0	353.422	1.765	20	30		FDEDRO
C[N@H+](CCn1cc(Br)cn1)C[C@H](O)CC1(C#N)CCOCC1	ZINC000599422521	553053581	/nfs/dbraw/zinc/05/35/81/553053581.db2.gz	UGTGSQHZOZBCOJ-CQSZACIVSA-N	1	0	371.279	1.649	20	30		FDEDRO
N#CCc1cccc2c1CC[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)C2	ZINC000599686346	553121426	/nfs/dbraw/zinc/12/14/26/553121426.db2.gz	QXSPNYWTKDESHK-UHFFFAOYSA-N	1	0	371.462	1.837	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1F	ZINC000599899269	553171035	/nfs/dbraw/zinc/17/10/35/553171035.db2.gz	LAJAMIQEOUSGFA-ZYHUDNBSSA-N	1	0	372.322	1.622	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1	ZINC000599903730	553171527	/nfs/dbraw/zinc/17/15/27/553171527.db2.gz	KCTGTQAEEPXQCT-KRWDZBQOSA-N	1	0	370.453	1.422	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1C#N	ZINC000599903337	553171533	/nfs/dbraw/zinc/17/15/33/553171533.db2.gz	AILSGVKSDMRELP-MRXNPFEDSA-N	1	0	370.453	1.422	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1F	ZINC000599903588	553171584	/nfs/dbraw/zinc/17/15/84/553171584.db2.gz	GPLOBLGVTFUWGO-INIZCTEOSA-N	1	0	374.416	1.253	20	30		FDEDRO
C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000599904265	553171953	/nfs/dbraw/zinc/17/19/53/553171953.db2.gz	ZTWXOEIPCYRFTF-QPUJVOFHSA-N	1	0	351.204	1.126	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c(F)cc1C#N	ZINC000599943146	553180757	/nfs/dbraw/zinc/18/07/57/553180757.db2.gz	BSHZFLNSRKMFDN-AWEZNQCLSA-N	1	0	374.416	1.731	20	30		FDEDRO
CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(OC)c(C#N)cc1F	ZINC000599953240	553183920	/nfs/dbraw/zinc/18/39/20/553183920.db2.gz	RSUAVWAZCRQLIN-NSHDSACASA-N	1	0	350.394	1.491	20	30		FDEDRO
CCN(CC[NH3+])C(=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1	ZINC000599955078	553184820	/nfs/dbraw/zinc/18/48/20/553184820.db2.gz	HZSNIQKYAOZIGN-UHFFFAOYSA-N	1	0	350.422	1.649	20	30		FDEDRO
N#Cc1ccc(OCc2cccc(C(=O)NCC[N@H+]3CC[C@@H](O)C3)c2)cc1	ZINC000600537195	553281829	/nfs/dbraw/zinc/28/18/29/553281829.db2.gz	YSGCTLJOBMYOQC-LJQANCHMSA-N	1	0	365.433	1.934	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCc1nnc2n1CCCCC2	ZINC000600716767	553306201	/nfs/dbraw/zinc/30/62/01/553306201.db2.gz	HAAZCGKCSOOGOA-INIZCTEOSA-N	1	0	355.442	1.448	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCNC(=O)c1ccc(F)cc1	ZINC000600720354	553306598	/nfs/dbraw/zinc/30/65/98/553306598.db2.gz	OUAKDOLQZYMQHN-KRWDZBQOSA-N	1	0	357.385	1.457	20	30		FDEDRO
CS(=O)(=O)Cc1ccc(C[NH2+]C[C@H](O)COc2ccccc2C#N)cc1	ZINC000600719916	553306660	/nfs/dbraw/zinc/30/66/60/553306660.db2.gz	LOGGNTGIEUQXJK-SFHVURJKSA-N	1	0	374.462	1.632	20	30		FDEDRO
Cc1ccc(C(=O)NCC[NH2+]C[C@H](O)COc2ccccc2C#N)cc1F	ZINC000600719430	553306671	/nfs/dbraw/zinc/30/66/71/553306671.db2.gz	VMUPXGGNMPAWNU-KRWDZBQOSA-N	1	0	371.412	1.765	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]CCNC(=O)c2c(F)cccc2F)CCOCC1	ZINC000600728327	553308501	/nfs/dbraw/zinc/30/85/01/553308501.db2.gz	SXQIEXLXGPBYML-ZDUSSCGKSA-N	1	0	367.396	1.356	20	30		FDEDRO
COc1ccccc1N1CC[C@@H]([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1=O	ZINC000600731834	553308761	/nfs/dbraw/zinc/30/87/61/553308761.db2.gz	VKTQISIPCCESQQ-JKSUJKDBSA-N	1	0	373.453	1.461	20	30		FDEDRO
CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)COc2ccccc2C#N)s1	ZINC000600732999	553308797	/nfs/dbraw/zinc/30/87/97/553308797.db2.gz	GIFVWJRXMKREHF-ZDUSSCGKSA-N	1	0	366.464	1.553	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]CCc1cnc2c(Cl)cnn2c1	ZINC000600738085	553309126	/nfs/dbraw/zinc/30/91/26/553309126.db2.gz	HAVMCGWOVQRRFT-OAHLLOKOSA-N	1	0	371.828	1.826	20	30		FDEDRO
C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]C[C@@H](O)CC1(C#N)CC1	ZINC000600741492	553309610	/nfs/dbraw/zinc/30/96/10/553309610.db2.gz	OKNNVKPXPLANLL-GJZGRUSLSA-N	1	0	351.472	1.388	20	30		FDEDRO
Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@H](O)CC1(C#N)CCOCC1	ZINC000600740774	553309735	/nfs/dbraw/zinc/30/97/35/553309735.db2.gz	BFKKCOUJXMVNKC-MSOLQXFVSA-N	1	0	362.470	1.704	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@@H](c2ccncc2)C2(CO)CCC2)CCOCC1	ZINC000600742240	553309918	/nfs/dbraw/zinc/30/99/18/553309918.db2.gz	CGBBBNCCGQPMCZ-ROUUACIJSA-N	1	0	359.470	1.946	20	30		FDEDRO
COc1ncc(Br)cc1C[NH2+]C[C@H](O)CN(C)CCC#N	ZINC000600758132	553312306	/nfs/dbraw/zinc/31/23/06/553312306.db2.gz	WOGUTUFMVPVVDQ-ZDUSSCGKSA-N	1	0	357.252	1.149	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC[N@@H+]1C	ZINC000600994398	553336675	/nfs/dbraw/zinc/33/66/75/553336675.db2.gz	LIPLKQJEPURCBO-GOEBONIOSA-N	1	0	357.458	1.803	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C2(C#N)CC3(CC3)C2)c1	ZINC000601033286	553341867	/nfs/dbraw/zinc/34/18/67/553341867.db2.gz	ULAQVKFPTVKISD-UHFFFAOYSA-N	1	0	354.454	1.678	20	30		FDEDRO
CNS(=O)(=O)CCC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000601150829	553353526	/nfs/dbraw/zinc/35/35/26/553353526.db2.gz	FKEZARQQEVCMNO-UHFFFAOYSA-N	1	0	361.471	1.493	20	30		FDEDRO
N#CCc1ccccc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1	ZINC000601343585	553380277	/nfs/dbraw/zinc/38/02/77/553380277.db2.gz	QQYYCZCTQCBBEL-ZACQAIPSSA-N	1	0	363.483	1.802	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccccc1CC#N	ZINC000601377002	553388843	/nfs/dbraw/zinc/38/88/43/553388843.db2.gz	YLJOTDWSRRAPLJ-BRWVUGGUSA-N	1	0	363.483	1.625	20	30		FDEDRO
CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)cc1C(=O)OC	ZINC000601429884	553403524	/nfs/dbraw/zinc/40/35/24/553403524.db2.gz	XGQWJPNMXCNSLM-UHFFFAOYSA-N	1	0	365.455	1.450	20	30		FDEDRO
N#CCc1ccccc1S(=O)(=O)N1CCC([N@@H+]2CCCOCC2)CC1	ZINC000601439990	553405998	/nfs/dbraw/zinc/40/59/98/553405998.db2.gz	LITSJMSLYHAQEV-UHFFFAOYSA-N	1	0	363.483	1.628	20	30		FDEDRO
N#CCCN1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1	ZINC000601569656	553437092	/nfs/dbraw/zinc/43/70/92/553437092.db2.gz	BHCJWFVEHLZLOP-IBGZPJMESA-N	1	0	355.486	1.892	20	30		FDEDRO
N#CCCN1CCN(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1	ZINC000601569658	553437210	/nfs/dbraw/zinc/43/72/10/553437210.db2.gz	BHCJWFVEHLZLOP-LJQANCHMSA-N	1	0	355.486	1.892	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNC(=O)N2CCN(CCC#N)CC2)CC1	ZINC000601570930	553437578	/nfs/dbraw/zinc/43/75/78/553437578.db2.gz	IWORMMYJRUZQDG-UHFFFAOYSA-N	1	0	351.495	1.117	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(CCC#N)CC2)[C@@H](C)C1	ZINC000601575810	553438528	/nfs/dbraw/zinc/43/85/28/553438528.db2.gz	JYVXEYXWKXAQMB-ZWKOTPCHSA-N	1	0	365.522	1.364	20	30		FDEDRO
C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCN(CCC#N)CC2)CC1	ZINC000601588333	553441098	/nfs/dbraw/zinc/44/10/98/553441098.db2.gz	XVEXJIMSIKIQHM-QGZVFWFLSA-N	1	0	370.501	1.848	20	30		FDEDRO
C[C@@H]1[C@H](NC(=O)N2CCN(CCC#N)CC2)CC[N@@H+]1Cc1ccccc1	ZINC000601610918	553445172	/nfs/dbraw/zinc/44/51/72/553445172.db2.gz	TWTPPIHBOOXJBL-IEBWSBKVSA-N	1	0	355.486	1.890	20	30		FDEDRO
C[C@@]([NH3+])(C(=O)N1CCN(CCC#N)CC1)c1ccc(Br)cc1	ZINC000601850257	553481233	/nfs/dbraw/zinc/48/12/33/553481233.db2.gz	BOZQTJWXJMYFSP-INIZCTEOSA-N	1	0	365.275	1.681	20	30		FDEDRO
N#CC1(C[C@@H](O)CN2C(=O)N[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2=O)CC1	ZINC000601957966	553495987	/nfs/dbraw/zinc/49/59/87/553495987.db2.gz	MBJBWZJTZMYWBJ-OXQOHEQNSA-N	1	0	368.437	1.238	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CCCS(=O)(=O)CC3)C2=O)cc1	ZINC000602016217	553501514	/nfs/dbraw/zinc/50/15/14/553501514.db2.gz	DIKNVAXJFSUIIB-IRXDYDNUSA-N	1	0	361.467	1.216	20	30		FDEDRO
C[C@@H]1C[NH+](CCCNC(=O)C(=O)Nc2cc(F)cc(C#N)c2)C[C@@H](C)O1	ZINC000602019236	553501968	/nfs/dbraw/zinc/50/19/68/553501968.db2.gz	JGBMZRNLKSJRTB-CHWSQXEVSA-N	1	0	362.405	1.251	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1cc(F)cc(C#N)c1	ZINC000602044209	553507193	/nfs/dbraw/zinc/50/71/93/553507193.db2.gz	SCJWWHVSVJCPHH-ZDUSSCGKSA-N	1	0	374.416	1.348	20	30		FDEDRO
C[NH+](C)CC1(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CC1	ZINC000602051678	553508652	/nfs/dbraw/zinc/50/86/52/553508652.db2.gz	GUCGADOQDYICNO-UHFFFAOYSA-N	1	0	366.469	1.717	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)C1	ZINC000602088299	553516841	/nfs/dbraw/zinc/51/68/41/553516841.db2.gz	KVMHKCXEQIPHKJ-HOCLYGCPSA-N	1	0	358.467	1.740	20	30		FDEDRO
C[NH+](C)[C@H]1C[C@@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1(C)C	ZINC000602169693	553533107	/nfs/dbraw/zinc/53/31/07/553533107.db2.gz	GTYSKZCLKYKJCT-CVEARBPZSA-N	1	0	352.442	1.785	20	30		FDEDRO
CC(C)OCC[NH+]1CCC(NC(=O)N2CCN(CCC#N)CC2)CC1	ZINC000602263838	553552426	/nfs/dbraw/zinc/55/24/26/553552426.db2.gz	QMIFYGRLANTUSM-UHFFFAOYSA-N	1	0	351.495	1.117	20	30		FDEDRO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@]1(N2CCOCC2)CCSC1	ZINC000602532985	553600248	/nfs/dbraw/zinc/60/02/48/553600248.db2.gz	XVNPVTSYPYKPAT-FUHWJXTLSA-N	1	0	353.532	1.883	20	30		FDEDRO
C[NH2+]CCOCCN(C)C(=O)CSc1nc(C)c(C)c(C)c1C#N	ZINC000602547724	553603870	/nfs/dbraw/zinc/60/38/70/553603870.db2.gz	ZRHZLBVMHPXQCE-UHFFFAOYSA-N	1	0	350.488	1.665	20	30		FDEDRO
C=C(C)C[C@@H](NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1)C(=O)OC	ZINC000602599082	553609730	/nfs/dbraw/zinc/60/97/30/553609730.db2.gz	GPAPIQWAEDWRPU-GOSISDBHSA-N	1	0	373.497	1.994	20	30		FDEDRO
CN(C(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F)[C@@H]1CCC[C@H]1C#N	ZINC000602603521	553611083	/nfs/dbraw/zinc/61/10/83/553611083.db2.gz	UBUZALQACQDENI-CMPLNLGQSA-N	1	0	352.389	1.904	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCCC[C@H]1NS(C)(=O)=O	ZINC000602661178	553620112	/nfs/dbraw/zinc/62/01/12/553620112.db2.gz	KEDTZDVEYVCWRU-OWCLPIDISA-N	1	0	357.520	1.783	20	30		FDEDRO
CNC(=O)[C@@H](C[NH2+]Cc1cccc(C#N)n1)Cc1ccc(OC)c(F)c1	ZINC000602702980	553625029	/nfs/dbraw/zinc/62/50/29/553625029.db2.gz	WTORMCSEZXVFTO-CQSZACIVSA-N	1	0	356.401	1.795	20	30		FDEDRO
C[C@@H]1CN(C/C=C\C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C[C@H](C)N1CC#N	ZINC000602847393	553650218	/nfs/dbraw/zinc/65/02/18/553650218.db2.gz	BBDAPSDMMULINR-DQTQQJQMSA-N	1	0	358.534	1.379	20	30		FDEDRO
C[C@@H]1C[NH+](CCC(=O)NC(=O)NCc2ccccc2)C[C@@H](C)N1CC#N	ZINC000602855549	553651766	/nfs/dbraw/zinc/65/17/66/553651766.db2.gz	IAAQZTINHVPAGQ-HZPDHXFCSA-N	1	0	357.458	1.321	20	30		FDEDRO
Cc1cc(NC(=O)N2C[C@H](C)N(CC#N)[C@@H](C)C2)n(C2CC[NH+](C)CC2)n1	ZINC000602885872	553660205	/nfs/dbraw/zinc/66/02/05/553660205.db2.gz	YIVIKEBPXQVFAK-HOTGVXAUSA-N	1	0	373.505	1.908	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C[NH2+][C@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1	ZINC000602893329	553662898	/nfs/dbraw/zinc/66/28/98/553662898.db2.gz	UTRDCKFULRSGPM-PKOBYXMFSA-N	1	0	357.454	1.474	20	30		FDEDRO
COC(=O)Cn1cc(CC[NH+]2CCC(Nc3ccccc3C#N)CC2)nn1	ZINC000602895545	553663865	/nfs/dbraw/zinc/66/38/65/553663865.db2.gz	QEAHEUXNVRFRTL-UHFFFAOYSA-N	1	0	368.441	1.442	20	30		FDEDRO
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@@H](O)C[C@]1(C)CO	ZINC000602907961	553666355	/nfs/dbraw/zinc/66/63/55/553666355.db2.gz	NXWPXNMAQZPIFR-QWQRMKEZSA-N	1	0	363.483	1.837	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)CC1	ZINC000602917406	553669425	/nfs/dbraw/zinc/66/94/25/553669425.db2.gz	GHAXBRCRLHGUPB-SBHAEUEKSA-N	1	0	370.497	1.799	20	30		FDEDRO
C[C@]12C[NH+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C[C@]1(C)C(=O)NC2=O	ZINC000602937086	553673892	/nfs/dbraw/zinc/67/38/92/553673892.db2.gz	PXAQTNIAXHHORJ-CDHQVMDDSA-N	1	0	366.421	1.038	20	30		FDEDRO
C[NH+](C)Cc1ccnc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1	ZINC000603143599	553714820	/nfs/dbraw/zinc/71/48/20/553714820.db2.gz	HOACNCCETNPXNJ-UHFFFAOYSA-N	1	0	365.441	1.764	20	30		FDEDRO
C[C@@H]1COCC[C@@H]1S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000603273455	553750154	/nfs/dbraw/zinc/75/01/54/553750154.db2.gz	QDILDLAMKHVOGQ-QAPCUYQASA-N	1	0	365.499	1.677	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)cc2CS(N)(=O)=O)CC[N@@H+](C2CCC2)C1	ZINC000603388257	553777558	/nfs/dbraw/zinc/77/75/58/553777558.db2.gz	QWDJDVZRIDNOLN-AWEZNQCLSA-N	1	0	362.499	1.657	20	30		FDEDRO
Cc1cc(F)cc(C#N)c1S(=O)(=O)NCCCN1CCC[N@@H+](C)CC1	ZINC000603400823	553779648	/nfs/dbraw/zinc/77/96/48/553779648.db2.gz	BIOHEJIYRVHRQB-UHFFFAOYSA-N	1	0	368.478	1.312	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCC[C@@H](C(=O)N(C)C)C2)CC1	ZINC000604112568	553843203	/nfs/dbraw/zinc/84/32/03/553843203.db2.gz	YLOMBTJUBVFCQX-WBVHZDCISA-N	1	0	350.507	1.973	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1	ZINC000604208511	553854626	/nfs/dbraw/zinc/85/46/26/553854626.db2.gz	QLXCLWFQIPPKAC-QGZVFWFLSA-N	1	0	356.426	1.210	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)nc1	ZINC000604290553	553859587	/nfs/dbraw/zinc/85/95/87/553859587.db2.gz	ZOMHMGNGFAOJOJ-IAGOWNOFSA-N	1	0	354.458	1.412	20	30		FDEDRO
C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)C1	ZINC000604304596	553860977	/nfs/dbraw/zinc/86/09/77/553860977.db2.gz	XVVJEWLZLUZSBR-UKRRQHHQSA-N	1	0	353.426	1.203	20	30		FDEDRO
CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000604475233	553880246	/nfs/dbraw/zinc/88/02/46/553880246.db2.gz	MEYBQEAWSAMDAZ-MJGOQNOKSA-N	1	0	359.470	1.825	20	30		FDEDRO
CC[NH+](CC)Cc1ccc(C(=O)N(CCC#N)CCN2CCOCC2)o1	ZINC000608777575	554317699	/nfs/dbraw/zinc/31/76/99/554317699.db2.gz	JIRSBDOQEUVCEA-UHFFFAOYSA-N	1	0	362.474	1.809	20	30		FDEDRO
COc1ccc(CN2C[C@@H](C(=O)NC3(C#N)CC[NH+](C)CC3)CC2=O)cc1	ZINC000608839105	554323862	/nfs/dbraw/zinc/32/38/62/554323862.db2.gz	KZZBXZFCXOLDAV-INIZCTEOSA-N	1	0	370.453	1.148	20	30		FDEDRO
Cc1ccc2nc(CSCC(=O)NC3(C#N)CC[NH+](C)CC3)cn2c1	ZINC000609630079	554405692	/nfs/dbraw/zinc/40/56/92/554405692.db2.gz	MKDJJCOCEBVJKN-UHFFFAOYSA-N	1	0	357.483	1.980	20	30		FDEDRO
C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000610345840	554494132	/nfs/dbraw/zinc/49/41/32/554494132.db2.gz	ABHNBOMNRIQOEW-QWHCGFSZSA-N	1	0	372.450	1.883	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)c1C#N	ZINC000610374450	554497091	/nfs/dbraw/zinc/49/70/91/554497091.db2.gz	PDBZIWSVUBOJTQ-MRXNPFEDSA-N	1	0	370.453	1.519	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3C4CCCC3CCC4)CC2)o1	ZINC000610395063	554499240	/nfs/dbraw/zinc/49/92/40/554499240.db2.gz	WCKQHPUHDHLEJE-UHFFFAOYSA-N	1	0	357.458	1.910	20	30		FDEDRO
C[NH+](C)CCn1cc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cn1	ZINC000610478359	554516287	/nfs/dbraw/zinc/51/62/87/554516287.db2.gz	VMGJEIXBEZGGOS-UHFFFAOYSA-N	1	0	368.445	1.065	20	30		FDEDRO
COC1CC[NH+](CCNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1	ZINC000610572971	554532472	/nfs/dbraw/zinc/53/24/72/554532472.db2.gz	BMRPVQBOMWZBEZ-UHFFFAOYSA-N	1	0	368.441	1.167	20	30		FDEDRO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3C[C@H](O)C[C@H](O)C3)sc2C1	ZINC000610614902	554539177	/nfs/dbraw/zinc/53/91/77/554539177.db2.gz	XAGYJOOKQFLNKV-RWMBFGLXSA-N	1	0	363.483	1.501	20	30		FDEDRO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3C[C@H](O)C[C@H](O)C3)sc2C1	ZINC000610614903	554539340	/nfs/dbraw/zinc/53/93/40/554539340.db2.gz	XAGYJOOKQFLNKV-UPJWGTAASA-N	1	0	363.483	1.501	20	30		FDEDRO
N#Cc1c2c(sc1NC(=O)CCN1CC[NH+]([C@@H]3CCOC3)CC1)CCC2	ZINC000610910100	554579971	/nfs/dbraw/zinc/57/99/71/554579971.db2.gz	WDXYHYLTUUCNBO-CQSZACIVSA-N	1	0	374.510	1.844	20	30		FDEDRO
N#Cc1cc(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)ccc1OCC(F)(F)F	ZINC000611200931	554614697	/nfs/dbraw/zinc/61/46/97/554614697.db2.gz	KRCQHGCJYCCHAO-CQSZACIVSA-N	1	0	368.359	1.828	20	30		FDEDRO
N#Cc1cccc(OC2CCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)CC2)c1	ZINC000611203469	554614836	/nfs/dbraw/zinc/61/48/36/554614836.db2.gz	DFQCKIICNMNMJU-LJQANCHMSA-N	1	0	354.454	1.318	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCC(c3cccnc3)CC2)CC1	ZINC000611374480	554629547	/nfs/dbraw/zinc/62/95/47/554629547.db2.gz	QZYQBFGHKAPEBW-HXUWFJFHSA-N	1	0	369.513	1.953	20	30		FDEDRO
N#CC1(NC(=O)CCn2ccccc2=O)CC[NH+](Cc2ccccc2)CC1	ZINC000611498651	554638195	/nfs/dbraw/zinc/63/81/95/554638195.db2.gz	DVDXYDNHZNSIBA-UHFFFAOYSA-N	1	0	364.449	1.913	20	30		FDEDRO
CC(C)(CO)[NH+]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000611516696	554640268	/nfs/dbraw/zinc/64/02/68/554640268.db2.gz	ZSBLVTHHHGIPRM-GOSISDBHSA-N	1	0	356.470	1.442	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000611544840	554644465	/nfs/dbraw/zinc/64/44/65/554644465.db2.gz	ZCZWKJBUDPTWBQ-WBVHZDCISA-N	1	0	355.442	1.447	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CC[C@@H]([NH+]2CCN(C)CC2)CC1	ZINC000613515080	554933916	/nfs/dbraw/zinc/93/39/16/554933916.db2.gz	LUPLRPCLLFBIOC-KSZLIROESA-N	1	0	350.507	1.132	20	30		FDEDRO
C[C@H]1CN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC[N@@H+]1CC(C)(C)O	ZINC000614904262	555135315	/nfs/dbraw/zinc/13/53/15/555135315.db2.gz	VUXNSOQHIRVZPW-QFBILLFUSA-N	1	0	370.497	1.831	20	30		FDEDRO
C[C@H]1C[N@H+](CC(C)(C)O)CCN1C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000614917376	555137109	/nfs/dbraw/zinc/13/71/09/555137109.db2.gz	JIQBDSIWIQQOGJ-FUHWJXTLSA-N	1	0	361.486	1.269	20	30		FDEDRO
Cc1sc(NC(=O)CN2CC[N@H+](CCO)C(C)(C)C2)c(C#N)c1C	ZINC000614923868	555138422	/nfs/dbraw/zinc/13/84/22/555138422.db2.gz	WSRBQQFAFJDHKP-UHFFFAOYSA-N	1	0	350.488	1.564	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000615226740	555174819	/nfs/dbraw/zinc/17/48/19/555174819.db2.gz	KYKQWWJWBMIPPW-YVSFHVDLSA-N	1	0	351.491	1.271	20	30		FDEDRO
C[NH+]1CCN(C[C@H](NC(=O)N2CC[C@](F)(C#N)C2)c2ccccc2)CC1	ZINC000615542861	555210080	/nfs/dbraw/zinc/21/00/80/555210080.db2.gz	DFVSYOOQCGPKED-HKUYNNGSSA-N	1	0	359.449	1.622	20	30		FDEDRO
C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)cc1	ZINC000615633295	555223582	/nfs/dbraw/zinc/22/35/82/555223582.db2.gz	WLDHDHLEFZIYPC-GOSISDBHSA-N	1	0	362.405	1.420	20	30		FDEDRO
COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CC[C@](F)(C#N)C3)CC2)cc1	ZINC000615646871	555224948	/nfs/dbraw/zinc/22/49/48/555224948.db2.gz	WRHPPPDZSUMNMG-FQEVSTJZSA-N	1	0	374.460	1.667	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1	ZINC000618799005	555678972	/nfs/dbraw/zinc/67/89/72/555678972.db2.gz	NVMBPKXMIDWKJW-INIZCTEOSA-N	1	0	355.442	1.699	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000618848046	555688469	/nfs/dbraw/zinc/68/84/69/555688469.db2.gz	HNRGZPARWZZMQC-GBESFXJTSA-N	1	0	354.454	1.786	20	30		FDEDRO
C[C@@H]1OCC[C@]12C[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)C[C@@H](C)O2	ZINC000619175493	555733519	/nfs/dbraw/zinc/73/35/19/555733519.db2.gz	ALQVYQFJSXMHIG-JMVFIXPQSA-N	1	0	360.454	1.761	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)CC2)o1	ZINC000619435608	555776010	/nfs/dbraw/zinc/77/60/10/555776010.db2.gz	HFLSCCOHKGQBGV-INIZCTEOSA-N	1	0	357.458	1.672	20	30		FDEDRO
N#CCc1cccc(S(=O)(=O)NCCCC[N@H+]2CCC[C@H]2CO)c1	ZINC000619485859	555785707	/nfs/dbraw/zinc/78/57/07/555785707.db2.gz	OBRHQVHKMMULPT-INIZCTEOSA-N	1	0	351.472	1.268	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1)n1cnc(C#N)n1	ZINC000619615124	555809900	/nfs/dbraw/zinc/80/99/00/555809900.db2.gz	CPGHHGOGTKXWPB-ZDUSSCGKSA-N	1	0	354.414	1.306	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1ccc(C)nc1N1CCCC1	ZINC000619712991	555824868	/nfs/dbraw/zinc/82/48/68/555824868.db2.gz	INGSYNNAZVPLOZ-AWEZNQCLSA-N	1	0	365.503	1.806	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)C[NH+](CC)CC)cc1	ZINC000620560642	555948284	/nfs/dbraw/zinc/94/82/84/555948284.db2.gz	BYIILVNQOMZBFW-CQSZACIVSA-N	1	0	360.458	1.387	20	30		FDEDRO
C=CC[C@H]1CCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1	ZINC000623566803	556444884	/nfs/dbraw/zinc/44/48/84/556444884.db2.gz	AIOVSOQWCCKQSV-SFHVURJKSA-N	1	0	372.517	1.986	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCC(C)(C)C(=O)N2CCCC2)CC1	ZINC000623579049	556447077	/nfs/dbraw/zinc/44/70/77/556447077.db2.gz	LIAFYPHEWJMATI-UHFFFAOYSA-N	1	0	350.507	1.975	20	30		FDEDRO
C[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)[C@@H](CO)Cc1ccccc1	ZINC000625529513	556842862	/nfs/dbraw/zinc/84/28/62/556842862.db2.gz	ZCQBGEHYLBYRSL-GOSISDBHSA-N	1	0	362.429	1.821	20	30		FDEDRO
C=CC[C@@H]1CC[N@@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)C1	ZINC000625705216	556907298	/nfs/dbraw/zinc/90/72/98/556907298.db2.gz	SSYSTEOUHRMVSB-ZIAGYGMSSA-N	1	0	363.483	1.510	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1	ZINC000627434840	557400626	/nfs/dbraw/zinc/40/06/26/557400626.db2.gz	VMLRYVMQRGDUIA-HZPDHXFCSA-N	1	0	351.491	1.450	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(CC)C2CC[NH+](C)CC2)c1	ZINC000627621235	557459127	/nfs/dbraw/zinc/45/91/27/557459127.db2.gz	KFZWOOKWEWGJJU-UHFFFAOYSA-N	1	0	365.499	1.707	20	30		FDEDRO
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCC[N@@H+]1CC[C@@H](O)C1	ZINC000627982752	557562435	/nfs/dbraw/zinc/56/24/35/557562435.db2.gz	YPUQNVMFJPPGJV-MRXNPFEDSA-N	1	0	359.470	1.660	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCS(=O)(=O)[C@@H]2C)c(OC)c1	ZINC000629605093	557816748	/nfs/dbraw/zinc/81/67/48/557816748.db2.gz	ZGAXTZUAVHPLKS-VNQPRFMTSA-N	1	0	369.483	1.329	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)c1	ZINC000632369009	558141493	/nfs/dbraw/zinc/14/14/93/558141493.db2.gz	MCWATUQGLLLPEF-CZUORRHYSA-N	1	0	351.472	1.316	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1	ZINC000481487729	567989867	/nfs/dbraw/zinc/98/98/67/567989867.db2.gz	BJCOKOSMOZHGPA-UHFFFAOYSA-N	1	0	358.423	1.473	20	30		FDEDRO
CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1CCC(=O)Nc1cccc(C#N)c1	ZINC000481734521	568100190	/nfs/dbraw/zinc/10/01/90/568100190.db2.gz	KXFONXURUMSRRS-IRXDYDNUSA-N	1	0	359.426	1.929	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1	ZINC000636936049	568212814	/nfs/dbraw/zinc/21/28/14/568212814.db2.gz	HTOPNFSWQCZPMC-IAGOWNOFSA-N	1	0	363.502	1.561	20	30		FDEDRO
CC(C)NS(=O)(=O)NCC[NH2+][C@H]1CCCCc2cc(C#N)ccc21	ZINC000481990761	568215910	/nfs/dbraw/zinc/21/59/10/568215910.db2.gz	MQFREGOAKJRXOF-KRWDZBQOSA-N	1	0	350.488	1.748	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[nH]n2)CC1	ZINC000735375885	598930287	/nfs/dbraw/zinc/93/02/87/598930287.db2.gz	SZDCYNYPFMPOPM-CQSZACIVSA-N	1	0	368.441	1.238	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)CC1	ZINC000735399981	598370684	/nfs/dbraw/zinc/37/06/84/598370684.db2.gz	YXYUAXCRQOVVJL-UHFFFAOYSA-N	1	0	373.436	1.846	20	30		FDEDRO
C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCC[N@@H+](C)CCOC	ZINC000735421396	598412494	/nfs/dbraw/zinc/41/24/94/598412494.db2.gz	YINHCRMQVVRBTB-UHFFFAOYSA-N	1	0	373.461	1.143	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCCO2	ZINC000272833434	674479123	/nfs/dbraw/zinc/47/91/23/674479123.db2.gz	LIQWUMYAVXDRCV-UHFFFAOYSA-N	1	0	363.439	1.538	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000272893903	674485793	/nfs/dbraw/zinc/48/57/93/674485793.db2.gz	TXTKLGKVYSMHEF-GFCCVEGCSA-N	1	0	355.416	1.502	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2ccc(OC)c(-c3nn[nH]n3)c2)CC1	ZINC000823919748	607565751	/nfs/dbraw/zinc/56/57/51/607565751.db2.gz	PCBRJGANWRVLML-UHFFFAOYSA-N	1	0	371.445	1.325	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2nc(C(C)C)cs2)CC1	ZINC000286360581	675894985	/nfs/dbraw/zinc/89/49/85/675894985.db2.gz	BZAKWPWKQGECQK-UHFFFAOYSA-N	1	0	350.488	1.649	20	30		FDEDRO
O=S1(=O)CCC(CO/[NH+]=C/c2ccc(N3CCOCC3)cc2)CC1	ZINC000273609003	674553816	/nfs/dbraw/zinc/55/38/16/674553816.db2.gz	LJQAORYKBCRXGI-QGOAFFKASA-N	1	0	352.456	1.699	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1COC(=O)[C@@H](C)Oc1ccc(-c2nn[nH]n2)cc1	ZINC000823849823	607924038	/nfs/dbraw/zinc/92/40/38/607924038.db2.gz	ANCURXMNAVEJBP-HIFRSBDPSA-N	1	0	355.398	1.275	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(CC#N)cc2)c1-c1nn[nH]n1	ZINC000826083569	608020021	/nfs/dbraw/zinc/02/00/21/608020021.db2.gz	NCUOCLNUKWEFKW-UHFFFAOYSA-N	1	0	365.401	1.060	20	30		FDEDRO
C=CC[N@H+](CC[C@H]1CCS(=O)(=O)C1)Cc1cccc(-c2nn[nH]n2)c1	ZINC000823903997	608031522	/nfs/dbraw/zinc/03/15/22/608031522.db2.gz	QORAEVHSWKOYDU-AWEZNQCLSA-N	1	0	361.471	1.680	20	30		FDEDRO
C#CC[C@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccccc1	ZINC000823838623	608518736	/nfs/dbraw/zinc/51/87/36/608518736.db2.gz	SAOTYSISDCOAHT-MJGOQNOKSA-N	1	0	363.421	1.961	20	30		FDEDRO
N#CC1(CS(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC1	ZINC000274241090	674588389	/nfs/dbraw/zinc/58/83/89/674588389.db2.gz	UBXBCXDQCPRWTI-IAGOWNOFSA-N	1	0	363.483	1.093	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1cnn(CCOC)c1)C(C)C	ZINC000275612627	674625686	/nfs/dbraw/zinc/62/56/86/674625686.db2.gz	HHBJZHJINSRQJW-KRWDZBQOSA-N	1	0	370.519	1.506	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1	ZINC000084599897	671478658	/nfs/dbraw/zinc/47/86/58/671478658.db2.gz	STZNHORAACDMNA-AWEZNQCLSA-N	1	0	350.484	1.960	20	30		FDEDRO
C[NH+]=C(NCC1CCSCC1)N1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000086833426	671484377	/nfs/dbraw/zinc/48/43/77/671484377.db2.gz	YJYKBZBGFPQLGQ-HNNXBMFYSA-N	1	0	354.520	1.028	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1C[C@H](OCC)C12CCCC2)N1CCN(C(C)=O)CC1	ZINC000089117240	671491720	/nfs/dbraw/zinc/49/17/20/671491720.db2.gz	YJYHUWLFWAOSHK-SJORKVTESA-N	1	0	350.507	1.854	20	30		FDEDRO
N#CCCCCNC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1	ZINC000286938662	675910257	/nfs/dbraw/zinc/91/02/57/675910257.db2.gz	DXFNDSJJXBWSKE-HNNXBMFYSA-N	1	0	362.499	1.886	20	30		FDEDRO
C[NH+](C)CCNC(=O)CC1S/C(=N/c2ccccc2Cl)NC1=O	ZINC000106898558	671608997	/nfs/dbraw/zinc/60/89/97/671608997.db2.gz	GRHUPKLTWVRHBY-GFCCVEGCSA-N	1	0	354.863	1.627	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH2+]CCNS(=O)(=O)c2cccnc2)cc1	ZINC000120552332	671691973	/nfs/dbraw/zinc/69/19/73/671691973.db2.gz	WYAYBPOWTVVBQP-CQSZACIVSA-N	1	0	360.439	1.441	20	30		FDEDRO
[NH2+]=C(NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)N1CCOCC1	ZINC000128892870	671781632	/nfs/dbraw/zinc/78/16/32/671781632.db2.gz	PBPGNRHFGMLOOU-CYBMUJFWSA-N	1	0	361.364	1.383	20	30		FDEDRO
C=C(Br)CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1	ZINC000153546309	671903403	/nfs/dbraw/zinc/90/34/03/671903403.db2.gz	IMHSXEKCSPDURA-HNNXBMFYSA-N	1	0	363.259	1.826	20	30		FDEDRO
C[NH+]=C(NCc1ccccc1S(=O)(=O)N(C)C)NC[C@H]1CCCS1	ZINC000157334821	671967890	/nfs/dbraw/zinc/96/78/90/671967890.db2.gz	APTJFNYLZBHDMN-CQSZACIVSA-N	1	0	370.544	1.498	20	30		FDEDRO
C#CCOc1ccc([C@@H](C)[NH2+]C2CCN(CCS(C)(=O)=O)CC2)cc1	ZINC000159926338	671996513	/nfs/dbraw/zinc/99/65/13/671996513.db2.gz	JPUHSLMBEZMGKN-MRXNPFEDSA-N	1	0	364.511	1.858	20	30		FDEDRO
CC(=O)N1CSC[C@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000161500693	672009946	/nfs/dbraw/zinc/00/99/46/672009946.db2.gz	APZPXCBXHKRSPS-KRWDZBQOSA-N	1	0	360.483	1.370	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000171907814	672061290	/nfs/dbraw/zinc/06/12/90/672061290.db2.gz	INKNIQVANIIKPT-OAHLLOKOSA-N	1	0	352.479	1.945	20	30		FDEDRO
[NH2+]=C(NCc1cccc(N2CCCS2(=O)=O)c1)NC1CCCCC1	ZINC000184876095	672251116	/nfs/dbraw/zinc/25/11/16/672251116.db2.gz	CBGVSYSOMITWLL-UHFFFAOYSA-N	1	0	350.488	1.964	20	30		FDEDRO
C[NH+]=C(NCc1ccco1)NCc1ccc(N2CCCS2(=O)=O)cc1	ZINC000185498094	672260417	/nfs/dbraw/zinc/26/04/17/672260417.db2.gz	CMJBLRFXOCFSSB-UHFFFAOYSA-N	1	0	362.455	1.685	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H](C)C2CCN(C(=O)OC)CC2)CC1	ZINC000186905699	672277292	/nfs/dbraw/zinc/27/72/92/672277292.db2.gz	OPRCSJLNLPJUFQ-AWEZNQCLSA-N	1	0	352.479	1.803	20	30		FDEDRO
C[C@@H]1CCCN(C(=[NH2+])NCc2ccc(N3CCCS3(=O)=O)c(F)c2)C1	ZINC000187046254	672278989	/nfs/dbraw/zinc/27/89/89/672278989.db2.gz	XFAKIPKHHWDBSM-CYBMUJFWSA-N	1	0	368.478	1.912	20	30		FDEDRO
CCS(=O)(=O)N1CCC([NH2+]Cc2ccc(O[C@H](C)C#N)cc2)CC1	ZINC000237031051	672420108	/nfs/dbraw/zinc/42/01/08/672420108.db2.gz	IIEZWEFIWNIXIG-CQSZACIVSA-N	1	0	351.472	1.881	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCC([NH2+]C)CC2)ccc1F	ZINC000237093722	672420587	/nfs/dbraw/zinc/42/05/87/672420587.db2.gz	MOWNURTZWVWYPO-UHFFFAOYSA-N	1	0	355.435	1.114	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)ccc1F	ZINC000237616159	672423771	/nfs/dbraw/zinc/42/37/71/672423771.db2.gz	CSXPQFDEORLPPU-WCQYABFASA-N	1	0	355.435	1.242	20	30		FDEDRO
C[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000261616561	672636566	/nfs/dbraw/zinc/63/65/66/672636566.db2.gz	AVCZUSMOPFVIFN-LNLFQRSKSA-N	1	0	352.523	1.157	20	30		FDEDRO
COc1ccc(OC)c(NC(=[NH2+])NCC2CCN(S(C)(=O)=O)CC2)c1	ZINC000261644061	672642015	/nfs/dbraw/zinc/64/20/15/672642015.db2.gz	LNUASCSPQDXKGK-UHFFFAOYSA-N	1	0	370.475	1.102	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCN(S(C)(=O)=O)C1)N[C@H](C)Cc1ccc(C)s1	ZINC000261664313	672646439	/nfs/dbraw/zinc/64/64/39/672646439.db2.gz	BGPUJFMHCMTUCS-TZMCWYRMSA-N	1	0	372.560	1.434	20	30		FDEDRO
C[C@]1(C[NH3+])CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1	ZINC000261765436	672667944	/nfs/dbraw/zinc/66/79/44/672667944.db2.gz	RPNQKYFUYRAESQ-CYBMUJFWSA-N	1	0	358.261	1.680	20	30		FDEDRO
CC[NH+]=C(NCc1noc(C)n1)N1CCN(c2nc(CC)ns2)CC1	ZINC000261779301	672670737	/nfs/dbraw/zinc/67/07/37/672670737.db2.gz	PBKOTQVHVYQVNQ-UHFFFAOYSA-N	1	0	364.479	1.080	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N(C)Cc1cc(Br)cn1C	ZINC000261844513	672682071	/nfs/dbraw/zinc/68/20/71/672682071.db2.gz	XCIBNWUHRPBEDK-FZMZJTMJSA-N	1	0	357.296	1.956	20	30		FDEDRO
C[NH+]=C(NC[C@H](c1ccsc1)N(C)C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261934321	672696714	/nfs/dbraw/zinc/69/67/14/672696714.db2.gz	CDNQGFRCONUQEK-CQSZACIVSA-N	1	0	372.560	1.435	20	30		FDEDRO
C[NH+]=C(NCc1nc2cc(C)ccc2[nH]1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261949333	672700271	/nfs/dbraw/zinc/70/02/71/672700271.db2.gz	GUXYVVYFTFRWSC-UHFFFAOYSA-N	1	0	363.487	1.456	20	30		FDEDRO
C[NH+]=C(NCc1cc(Cl)c2c(c1)OCCO2)N1CCO[C@H](COC)C1	ZINC000261983559	672706607	/nfs/dbraw/zinc/70/66/07/672706607.db2.gz	RPVDTXGXIPLUFN-ZDUSSCGKSA-N	1	0	369.849	1.534	20	30		FDEDRO
CC[C@@H]1CN(C(NC[C@]2(N3CCOCC3)CCSC2)=[NH+]C)CCS1	ZINC000261991349	672707617	/nfs/dbraw/zinc/70/76/17/672707617.db2.gz	SKOGMWPYQSSILE-NVXWUHKLSA-N	1	0	372.604	1.597	20	30		FDEDRO
C[NH+]=C(NCCNC(=O)c1ccccc1Cl)N1CC[C@]2(CCOC2)C1	ZINC000262007194	672710556	/nfs/dbraw/zinc/71/05/56/672710556.db2.gz	VWLXVNQGVUKYKM-SFHVURJKSA-N	1	0	364.877	1.758	20	30		FDEDRO
CN(C)C(=O)C[NH+]=C(NCc1cccs1)N1CC[C@H]([C@@H]2CCOC2)C1	ZINC000262290533	672762896	/nfs/dbraw/zinc/76/28/96/672762896.db2.gz	LCBRGUWVYZDSNN-LSDHHAIUSA-N	1	0	364.515	1.640	20	30		FDEDRO
CN(C)C(=O)CNC(=[NH+]C1CC1)N(C)Cc1cc(Br)cn1C	ZINC000262323684	672769958	/nfs/dbraw/zinc/76/99/58/672769958.db2.gz	SQAHGGKUNOYGJJ-UHFFFAOYSA-N	1	0	370.295	1.416	20	30		FDEDRO
CC1(CNC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)CCOCC1	ZINC000262327590	672770757	/nfs/dbraw/zinc/77/07/57/672770757.db2.gz	AHZJXJIAUUBYJR-HNNXBMFYSA-N	1	0	371.547	1.716	20	30		FDEDRO
Cn1ccc(CNC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCCC2)n1	ZINC000262332569	672771737	/nfs/dbraw/zinc/77/17/37/672771737.db2.gz	BGCANZLIRBRRSC-AWEZNQCLSA-N	1	0	367.519	1.223	20	30		FDEDRO
C=CCNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CCC[C@]2(CCCOC2)C1	ZINC000262333486	672772029	/nfs/dbraw/zinc/77/20/29/672772029.db2.gz	BLAWVFTYIVCCOC-WMZOPIPTSA-N	1	0	369.531	1.445	20	30		FDEDRO
CCN1CCC[C@@H]1C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCCCC1	ZINC000262355691	672775793	/nfs/dbraw/zinc/77/57/93/672775793.db2.gz	FVKYGFAVCUZZNR-DLBZAZTESA-N	1	0	370.563	1.337	20	30		FDEDRO
CC[C@H](C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](O)C(C)(C)C1	ZINC000262356203	672775900	/nfs/dbraw/zinc/77/59/00/672775900.db2.gz	FXQWRTMARCZXJK-KKUMJFAQSA-N	1	0	359.536	1.258	20	30		FDEDRO
C[NH+]=C(NC[C@@]1(O)CCSC1)N(C)Cc1nc2c(s1)CCCC2	ZINC000262371964	672778440	/nfs/dbraw/zinc/77/84/40/672778440.db2.gz	ITSNUIUKMLNPKX-INIZCTEOSA-N	1	0	354.545	1.897	20	30		FDEDRO
C[NH+]=C(NCc1ccc(S(N)(=O)=O)s1)NCc1sc(C)nc1C	ZINC000262378884	672779471	/nfs/dbraw/zinc/77/94/71/672779471.db2.gz	KBFCSGAQRKQZAU-UHFFFAOYSA-N	1	0	373.529	1.334	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)N1CCSCC1)N[C@H](C)c1ccccc1	ZINC000262422784	672786812	/nfs/dbraw/zinc/78/68/12/672786812.db2.gz	RDVCTBHDZNRHMC-CQSZACIVSA-N	1	0	370.544	1.291	20	30		FDEDRO
CC(C)C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCC2(C1)CCOCC2	ZINC000262431210	672788542	/nfs/dbraw/zinc/78/85/42/672788542.db2.gz	SNCAPKRLQGITML-INIZCTEOSA-N	1	0	371.547	1.525	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCOc2ccccc21	ZINC000262452280	672791735	/nfs/dbraw/zinc/79/17/35/672791735.db2.gz	WFLISVMXUWOFQY-GOEBONIOSA-N	1	0	365.499	1.889	20	30		FDEDRO
CO[C@]1(C)C[C@H](NC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)C1(C)C	ZINC000262463081	672793858	/nfs/dbraw/zinc/79/38/58/672793858.db2.gz	XWHBZRLBNMOEGP-RVSPLBMKSA-N	1	0	357.520	1.322	20	30		FDEDRO
CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](C2CCOCC2)C1	ZINC000262467904	672794854	/nfs/dbraw/zinc/79/48/54/672794854.db2.gz	YOOSLOLJUIVIOX-DOTOQJQBSA-N	1	0	371.547	1.525	20	30		FDEDRO
CS(=O)(=O)N1CCCC[C@@H]1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21	ZINC000262628047	672821131	/nfs/dbraw/zinc/82/11/31/672821131.db2.gz	DZOCCAXMIRVTKD-UKRRQHHQSA-N	1	0	366.487	1.229	20	30		FDEDRO
C[NH+]=C(NCc1ccc(Br)cc1)N1CCN(C2CC2)C(=O)C1	ZINC000262742289	672839751	/nfs/dbraw/zinc/83/97/51/672839751.db2.gz	CRSMNKMCQHJKHX-UHFFFAOYSA-N	1	0	365.275	1.831	20	30		FDEDRO
C[NH+]=C(NCCOc1ccc(F)c(F)c1)N1CCN(C2CC2)C(=O)C1	ZINC000262785825	672849453	/nfs/dbraw/zinc/84/94/53/672849453.db2.gz	MNRXXVWTQXYDFK-UHFFFAOYSA-N	1	0	352.385	1.226	20	30		FDEDRO
Cc1cc(S(N)(=O)=O)ccc1CNC(=[NH+]Cc1ccccc1)N(C)C	ZINC000262806943	672851109	/nfs/dbraw/zinc/85/11/09/672851109.db2.gz	SLQZGXACQAXTPN-UHFFFAOYSA-N	1	0	360.483	1.850	20	30		FDEDRO
C[NH+]=C(NCc1ccco1)NCc1ccccc1S(=O)(=O)N(C)C	ZINC000264033042	672899081	/nfs/dbraw/zinc/89/90/81/672899081.db2.gz	FIPGSPLYQLAYAP-UHFFFAOYSA-N	1	0	350.444	1.395	20	30		FDEDRO
CC(C)(C)NC(=[NH2+])NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1	ZINC000264081443	672900102	/nfs/dbraw/zinc/90/01/02/672900102.db2.gz	HLQCFOKVOXHHHE-AWEZNQCLSA-N	1	0	368.503	1.347	20	30		FDEDRO
C=C(C)C[NH+]1CCC(Nc2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])CC1	ZINC000264471360	672914220	/nfs/dbraw/zinc/91/42/20/672914220.db2.gz	IXEQDFYWJALNPK-UHFFFAOYSA-N	1	0	368.459	1.955	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2sccc2C(=O)OC)CC1	ZINC000266529833	673140747	/nfs/dbraw/zinc/14/07/47/673140747.db2.gz	BUGLDKGGFXKUFR-UHFFFAOYSA-N	1	0	365.455	1.630	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cncc(C#N)c2)[C@@H](C)C1	ZINC000289466829	676140592	/nfs/dbraw/zinc/14/05/92/676140592.db2.gz	MRGVGGAUQJMIEK-YOEHRIQHSA-N	1	0	366.487	1.369	20	30		FDEDRO
COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000289637235	676161703	/nfs/dbraw/zinc/16/17/03/676161703.db2.gz	BXDYQMRTGZXYDL-PBHICJAKSA-N	1	0	365.455	1.438	20	30		FDEDRO
N#Cc1cccc(OCCC[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c1	ZINC000278819339	675202381	/nfs/dbraw/zinc/20/23/81/675202381.db2.gz	HJKGQBBRMXYSRH-KRWDZBQOSA-N	1	0	363.483	1.827	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCC2([S@@](C)=O)CCC2)cc1OC	ZINC000280628707	675442186	/nfs/dbraw/zinc/44/21/86/675442186.db2.gz	SSRQETZYAGRLMW-XMMPIXPASA-N	1	0	353.488	1.452	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000281753958	675554299	/nfs/dbraw/zinc/55/42/99/675554299.db2.gz	JISQNQNSDBRTDG-FUHWJXTLSA-N	1	0	364.515	1.919	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)C1=O	ZINC000282084351	675595898	/nfs/dbraw/zinc/59/58/98/675595898.db2.gz	UUHSIEWIYFYWEF-CZUORRHYSA-N	1	0	351.472	1.374	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2c(F)cccc2F)CC1	ZINC000284090519	675671445	/nfs/dbraw/zinc/67/14/45/675671445.db2.gz	SPNOFOZKZUADKH-GFCCVEGCSA-N	1	0	351.397	1.909	20	30		FDEDRO
Cn1c(NC[C@H](c2cccs2)[NH+]2CCCC2)c(C#N)c(=O)n(C)c1=O	ZINC000292387943	676298195	/nfs/dbraw/zinc/29/81/95/676298195.db2.gz	RGDKAALRVSPRLM-CYBMUJFWSA-N	1	0	359.455	1.266	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCCCn1cc(Br)cn1	ZINC000296743768	676420485	/nfs/dbraw/zinc/42/04/85/676420485.db2.gz	XTOITKXRNQMACM-UHFFFAOYSA-N	1	0	356.268	1.290	20	30		FDEDRO
C[NH+]=C(NCCCCOc1ccc(F)cc1)NCCN1CCOCC1	ZINC000303768528	676542747	/nfs/dbraw/zinc/54/27/47/676542747.db2.gz	AJEAACOSOQIFFO-UHFFFAOYSA-N	1	0	352.454	1.482	20	30		FDEDRO
CCN(CC)S(=O)(=O)c1ccc(CC[NH+]=C(N(C)C)N(C)C)s1	ZINC000303990600	676544210	/nfs/dbraw/zinc/54/42/10/676544210.db2.gz	YWQCPRWDDUPSQM-UHFFFAOYSA-N	1	0	360.549	1.800	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(=[NH2+])NCCCN2CCOCC2)C12CCCCC2	ZINC000304781482	676544552	/nfs/dbraw/zinc/54/45/52/676544552.db2.gz	GIQDNOFJRXULFT-DLBZAZTESA-N	1	0	352.523	1.741	20	30		FDEDRO
CN(C1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1)S(C)(=O)=O	ZINC000328597887	676599571	/nfs/dbraw/zinc/59/95/71/676599571.db2.gz	ARXLQBUVUZJANB-UHFFFAOYSA-N	1	0	372.535	1.131	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+]2CCC[C@@H]2C1	ZINC000328721937	676604181	/nfs/dbraw/zinc/60/41/81/676604181.db2.gz	XELWCRVSGPYBDD-HUUCEWRRSA-N	1	0	365.503	1.041	20	30		FDEDRO
CCS(=O)(=O)N1CCC(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1	ZINC000328870885	676610194	/nfs/dbraw/zinc/61/01/94/676610194.db2.gz	PULLCOVCUUYRCT-INIZCTEOSA-N	1	0	372.535	1.275	20	30		FDEDRO
CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)[N@H+](C)C1	ZINC000328989118	676615140	/nfs/dbraw/zinc/61/51/40/676615140.db2.gz	FEGJHKKGEYIDTR-WBTNSWJXSA-N	1	0	357.520	1.606	20	30		FDEDRO
CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)[N@H+](C)C1	ZINC000328989116	676615211	/nfs/dbraw/zinc/61/52/11/676615211.db2.gz	FEGJHKKGEYIDTR-AESZEHBQSA-N	1	0	357.520	1.606	20	30		FDEDRO
CC(C)N1C(=O)N[C@@H]2CN(C(=O)N[C@H](C)C[NH+]3CCCCC3)CC[C@@H]21	ZINC000329024297	676616566	/nfs/dbraw/zinc/61/65/66/676616566.db2.gz	JCHHWWMFUWDJKA-OAGGEKHMSA-N	1	0	351.495	1.856	20	30		FDEDRO
CC[C@@H]1CN(C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)CC[N@@H+]1CCOC	ZINC000329115880	676621028	/nfs/dbraw/zinc/62/10/28/676621028.db2.gz	NAKBWTTVPHTQED-NUJGCVRESA-N	1	0	355.479	1.281	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)CC[C@H]3CCCC[N@@H+]3C)CC2)C1=O	ZINC000329169637	676623542	/nfs/dbraw/zinc/62/35/42/676623542.db2.gz	JSIUORONCMWMMV-SJORKVTESA-N	1	0	350.507	1.903	20	30		FDEDRO
O=C(NCCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccn[nH]1	ZINC000329213150	676625494	/nfs/dbraw/zinc/62/54/94/676625494.db2.gz	IYQGLTWEGVXDQH-ZDUSSCGKSA-N	1	0	351.476	1.314	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1	ZINC000329229479	676626956	/nfs/dbraw/zinc/62/69/56/676626956.db2.gz	CQYUYCGGPAMKHK-BRWVUGGUSA-N	1	0	350.507	1.618	20	30		FDEDRO
C[C@H]1CN(C(=O)NCC2([NH+](C)C)CCCCCC2)CCN1S(C)(=O)=O	ZINC000329249277	676628506	/nfs/dbraw/zinc/62/85/06/676628506.db2.gz	XAGHKDZIPWZUAD-HNNXBMFYSA-N	1	0	374.551	1.521	20	30		FDEDRO
C[NH+]1CCC(C)(CNC(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)CC1	ZINC000329262832	676629337	/nfs/dbraw/zinc/62/93/37/676629337.db2.gz	BHNNZFOWPQXBGC-NSHDSACASA-N	1	0	350.385	1.385	20	30		FDEDRO
O=C(NCCn1cc(Br)cn1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000329278620	676630535	/nfs/dbraw/zinc/63/05/35/676630535.db2.gz	MBSJJGQLEHCRIB-OLZOCXBDSA-N	1	0	356.268	1.776	20	30		FDEDRO
C[C@H](CNC(=O)[C@@H]1CSCN1C(=O)C1CCCC1)N1CC[NH+](C)CC1	ZINC000329331952	676633702	/nfs/dbraw/zinc/63/37/02/676633702.db2.gz	WKENZRYHRVMQBT-ZBFHGGJFSA-N	1	0	368.547	1.671	20	30		FDEDRO
Cc1nc([C@@H]2CN(C(=O)NC[C@H](C)[N@@H+]3CCC[C@H](C)C3)CCO2)no1	ZINC000329336884	676633740	/nfs/dbraw/zinc/63/37/40/676633740.db2.gz	MEHRNNAHQVQROG-YDHLFZDLSA-N	1	0	351.451	1.786	20	30		FDEDRO
C[NH+](C)CC1CCC(NC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)CC1	ZINC000329346755	676634324	/nfs/dbraw/zinc/63/43/24/676634324.db2.gz	VHRMJUDUGIPFPA-YOHUBWIESA-N	1	0	353.507	1.883	20	30		FDEDRO
CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1	ZINC000329407786	676637312	/nfs/dbraw/zinc/63/73/12/676637312.db2.gz	BFABLYRYXOXKJD-JKSUJKDBSA-N	1	0	372.535	1.273	20	30		FDEDRO
C[C@H](NC(=O)CN1CC[C@H]([NH+]2CCCC2)[C@@H]1C)C(=O)N1CCCCC1	ZINC000329428854	676638249	/nfs/dbraw/zinc/63/82/49/676638249.db2.gz	HCWHDZVFDLYLBY-ULQDDVLXSA-N	1	0	350.507	1.903	20	30		FDEDRO
O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCOC[C@H]1CC(F)F	ZINC000329460502	676639865	/nfs/dbraw/zinc/63/98/65/676639865.db2.gz	SDAFVZJFTGRIFX-CQSZACIVSA-N	1	0	361.433	1.901	20	30		FDEDRO
CC1(C)CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC[C@H]1O	ZINC000329583192	676645268	/nfs/dbraw/zinc/64/52/68/676645268.db2.gz	XMMHJVSZDQSRMA-IXDOHACOSA-N	1	0	353.507	1.761	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N[C@@H]1CCO[C@H](C2CC2)C1	ZINC000329631291	676647129	/nfs/dbraw/zinc/64/71/29/676647129.db2.gz	RJEOHJVXJWRXOJ-BDXSIMOUSA-N	1	0	351.491	1.825	20	30		FDEDRO
CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1	ZINC000329703777	676650605	/nfs/dbraw/zinc/65/06/05/676650605.db2.gz	JBIHUXFFOUPEMY-HUUCEWRRSA-N	1	0	372.535	1.131	20	30		FDEDRO
CC[N@H+](CCNC(=O)N1CCS(=O)(=O)C2(CCCCC2)C1)C1CC1	ZINC000329769396	676654563	/nfs/dbraw/zinc/65/45/63/676654563.db2.gz	HTGSJOIFCWJIPP-UHFFFAOYSA-N	1	0	357.520	1.818	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCS(=O)(=O)C(C)(C)C2)C1	ZINC000329820280	676659196	/nfs/dbraw/zinc/65/91/96/676659196.db2.gz	PLJDLTWWLDHMHW-HNNXBMFYSA-N	1	0	359.536	1.777	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2C)CC1	ZINC000329898802	676662978	/nfs/dbraw/zinc/66/29/78/676662978.db2.gz	MNEILECSKZEXMK-RDJZCZTQSA-N	1	0	350.463	1.873	20	30		FDEDRO
CC(C)[C@@H](C(=O)NCC1CC[NH+](C2CC2)CC1)N1CCCS1(=O)=O	ZINC000329942655	676664956	/nfs/dbraw/zinc/66/49/56/676664956.db2.gz	HIZFBRFHBSYTAM-INIZCTEOSA-N	1	0	357.520	1.877	20	30		FDEDRO
Cn1cnnc1C1CCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1	ZINC000330172027	676676484	/nfs/dbraw/zinc/67/64/84/676676484.db2.gz	XRWZLYYJJZBLQR-INIZCTEOSA-N	1	0	352.508	1.346	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)C1	ZINC000330173283	676676743	/nfs/dbraw/zinc/67/67/43/676676743.db2.gz	HECMWVAHXWEGIV-OWCLPIDISA-N	1	0	353.463	1.222	20	30		FDEDRO
O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCC(O)(C(F)F)CC1	ZINC000330238856	676680225	/nfs/dbraw/zinc/68/02/25/676680225.db2.gz	AXDOXOVSJXSPMK-UHFFFAOYSA-N	1	0	361.433	1.637	20	30		FDEDRO
CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@](O)(Cc2cccc(Cl)c2)C1	ZINC000330557583	676696677	/nfs/dbraw/zinc/69/66/77/676696677.db2.gz	GDNKAEUTWJQBSU-SJCJKPOMSA-N	1	0	353.850	1.758	20	30		FDEDRO
Cc1oc(S(N)(=O)=O)cc1C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1	ZINC000330701040	676701281	/nfs/dbraw/zinc/70/12/81/676701281.db2.gz	IXWYESIFUVSNGB-VXGBXAGGSA-N	1	0	357.476	1.908	20	30		FDEDRO
CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCc1ccc(S(C)(=O)=O)s1	ZINC000330969798	676711885	/nfs/dbraw/zinc/71/18/85/676711885.db2.gz	SVXZJNJXBOPUCY-LBPRGKRZSA-N	1	0	359.517	1.839	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)Nc2ccc(S(=O)(=O)NC)cn2)CC1	ZINC000331173327	676720030	/nfs/dbraw/zinc/72/00/30/676720030.db2.gz	OWDUTNCIWHCYPI-UHFFFAOYSA-N	1	0	355.464	1.190	20	30		FDEDRO
CC1=CC[N@H+](CCNC(=O)NC2CCN(S(=O)(=O)C(C)C)CC2)CC1	ZINC000331282898	676725437	/nfs/dbraw/zinc/72/54/37/676725437.db2.gz	LVNSBIUVSMYPKF-UHFFFAOYSA-N	1	0	372.535	1.345	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCCC[C@H]2C[C@H](C)O)CC1	ZINC000331301098	676726270	/nfs/dbraw/zinc/72/62/70/676726270.db2.gz	BYCZMRVJUIFTNE-BZSNNMDCSA-N	1	0	350.507	1.304	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@H]1C	ZINC000331301334	676726536	/nfs/dbraw/zinc/72/65/36/676726536.db2.gz	WPELSCMJOVZINL-TZMCWYRMSA-N	1	0	354.476	1.684	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCC(=O)N2CCc3sccc3C2)CC1	ZINC000363084608	676934078	/nfs/dbraw/zinc/93/40/78/676934078.db2.gz	LXAOCMDJQLVBCJ-UHFFFAOYSA-N	1	0	362.499	1.582	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CC	ZINC000363106235	676935319	/nfs/dbraw/zinc/93/53/19/676935319.db2.gz	ZVQVQDQCMJGPSM-ZNMIVQPWSA-N	1	0	350.463	1.252	20	30		FDEDRO
CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)CSCC#N	ZINC000365912956	677391196	/nfs/dbraw/zinc/39/11/96/677391196.db2.gz	ULBFFIXCUAICAV-UHFFFAOYSA-N	1	0	352.548	1.898	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1C(F)(F)F	ZINC000366366448	677437515	/nfs/dbraw/zinc/43/75/15/677437515.db2.gz	YUEDWVOKNJZQMU-QMTHXVAHSA-N	1	0	359.373	1.950	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NCC(C)(C)CC#N)CC1	ZINC000422293742	680705422	/nfs/dbraw/zinc/70/54/22/680705422.db2.gz	ASCMUZHLJNRNCE-UHFFFAOYSA-N	1	0	352.479	1.048	20	30		FDEDRO
C#CCCCS(=O)(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000367873358	677496433	/nfs/dbraw/zinc/49/64/33/677496433.db2.gz	JFERZDBMJVDLIW-SFHVURJKSA-N	1	0	350.484	1.610	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CSCN2C(=O)C2CCCC2)CC1	ZINC000369592013	677506438	/nfs/dbraw/zinc/50/64/38/677506438.db2.gz	OAFAGVAQPWTLDB-QGZVFWFLSA-N	1	0	363.527	1.682	20	30		FDEDRO
CC(C)(O)C[N@@H+]1CCCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1	ZINC000369889361	677525056	/nfs/dbraw/zinc/52/50/56/677525056.db2.gz	RFNQJPZMNJEUDK-UHFFFAOYSA-N	1	0	371.890	1.679	20	30		FDEDRO
N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@@H](n3cncn3)C1)CCC2	ZINC000372369468	677905089	/nfs/dbraw/zinc/90/50/89/677905089.db2.gz	QSKCXUOGSNWLOC-GFCCVEGCSA-N	1	0	356.455	1.976	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N[C@@H]1CC[N@@H+](C2CCCCCC2)C1	ZINC000374448216	678081118	/nfs/dbraw/zinc/08/11/18/678081118.db2.gz	XSZIGUMFOZRVHG-MRXNPFEDSA-N	1	0	372.535	1.480	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1	ZINC000374544028	678086316	/nfs/dbraw/zinc/08/63/16/678086316.db2.gz	PGDURTPDPPUBNQ-UMVBOHGHSA-N	1	0	356.517	1.809	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1	ZINC000374616311	678088471	/nfs/dbraw/zinc/08/84/71/678088471.db2.gz	YYQSVPZMHORJIA-MSOLQXFVSA-N	1	0	350.551	1.900	20	30		FDEDRO
N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@H]3C(=O)NC[C@@H]3C1)CCC2	ZINC000377719749	678598294	/nfs/dbraw/zinc/59/82/94/678598294.db2.gz	KZLYXMKUSMYGJR-VXGBXAGGSA-N	1	0	358.467	1.505	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1	ZINC000409490766	678850570	/nfs/dbraw/zinc/85/05/70/678850570.db2.gz	IVPYGQBDCXCCNX-DOTOQJQBSA-N	1	0	350.488	1.719	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C	ZINC000409558947	678859477	/nfs/dbraw/zinc/85/94/77/678859477.db2.gz	WUKCCYSTRBPYCZ-DOTOQJQBSA-N	1	0	352.504	1.475	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1	ZINC000409564070	678861029	/nfs/dbraw/zinc/86/10/29/678861029.db2.gz	VTEFHHRWUHKNMW-OAHLLOKOSA-N	1	0	370.494	1.916	20	30		FDEDRO
C[C@@H]([NH2+]C(C)(C)CNS(=O)(=O)N1CCO[C@H](C#N)C1)c1ccccc1	ZINC000410130111	678881403	/nfs/dbraw/zinc/88/14/03/678881403.db2.gz	JPPUXPQPWJOSGM-GDBMZVCRSA-N	1	0	366.487	1.175	20	30		FDEDRO
CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccccc1C#N	ZINC000411632525	679055397	/nfs/dbraw/zinc/05/53/97/679055397.db2.gz	GFMUPAZGKWTYML-CVEARBPZSA-N	1	0	364.471	1.337	20	30		FDEDRO
C=CC[N@@H+](C)CCN(CC)CC(=O)Nc1cc(S(N)(=O)=O)ccc1C	ZINC000411646697	679056895	/nfs/dbraw/zinc/05/68/95/679056895.db2.gz	WCYDNSXUKSKXPD-UHFFFAOYSA-N	1	0	368.503	1.021	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1	ZINC000423981739	680824311	/nfs/dbraw/zinc/82/43/11/680824311.db2.gz	HLQKUNMEKMMKQX-CXAGYDPISA-N	1	0	351.472	1.208	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC2([NH3+])CCC2)cc1	ZINC000414884039	679372313	/nfs/dbraw/zinc/37/23/13/679372313.db2.gz	ASLGJMXGKFOSTO-UHFFFAOYSA-N	1	0	352.460	1.496	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1	ZINC000414886719	679372592	/nfs/dbraw/zinc/37/25/92/679372592.db2.gz	CVEZLMNZYPDPSU-HIFRSBDPSA-N	1	0	366.487	1.885	20	30		FDEDRO
C=CCOc1c(Br)cc(CN(CC[NH3+])CCO)cc1OC	ZINC000414942199	679374874	/nfs/dbraw/zinc/37/48/74/679374874.db2.gz	ZMURIPUZIYMJPS-UHFFFAOYSA-N	1	0	359.264	1.776	20	30		FDEDRO
C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1	ZINC000415381951	679419560	/nfs/dbraw/zinc/41/95/60/679419560.db2.gz	VKYOKUFDBCNUCF-LLVKDONJSA-N	1	0	352.341	1.309	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC[NH2+]1	ZINC000415433105	679430135	/nfs/dbraw/zinc/43/01/35/679430135.db2.gz	MEVPHLZKAJYZRO-SECBINFHSA-N	1	0	351.204	1.080	20	30		FDEDRO
CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000415436825	679431039	/nfs/dbraw/zinc/43/10/39/679431039.db2.gz	YWOQXTNDDGEZNI-GFCCVEGCSA-N	1	0	367.247	1.749	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NCC2([NH3+])CCC2)ccc1OC(F)(F)F	ZINC000415554235	679450251	/nfs/dbraw/zinc/45/02/51/679450251.db2.gz	CVGHXYDIPLNDLS-UHFFFAOYSA-N	1	0	356.304	1.393	20	30		FDEDRO
N#CCCSc1ccccc1NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2	ZINC000415628107	679468416	/nfs/dbraw/zinc/46/84/16/679468416.db2.gz	DNRFCJZVLQNPMC-OKILXGFUSA-N	1	0	358.467	1.984	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1	ZINC000416393863	679602576	/nfs/dbraw/zinc/60/25/76/679602576.db2.gz	VYCXRHGCLQWJNY-CABCVRRESA-N	1	0	351.472	1.718	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cc(Br)cc(C#N)c2)C1	ZINC000416495327	679639671	/nfs/dbraw/zinc/63/96/71/679639671.db2.gz	LKELKDKVKPUCNO-JTQLQIEISA-N	1	0	358.261	1.551	20	30		FDEDRO
C=CCC(C)(C)CNC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000418207896	680024834	/nfs/dbraw/zinc/02/48/34/680024834.db2.gz	CJTDQNWCHFSZRB-CVEARBPZSA-N	1	0	350.507	1.879	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)c1ccc(F)c(F)c1	ZINC000419671689	680314182	/nfs/dbraw/zinc/31/41/82/680314182.db2.gz	FPNYQMOKUGSRHB-HSMVNMDESA-N	1	0	351.397	1.907	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C	ZINC000420046288	680394390	/nfs/dbraw/zinc/39/43/90/680394390.db2.gz	VQBAXYAPBPBJHP-JSGCOSHPSA-N	1	0	351.472	1.492	20	30		FDEDRO
C[C@@]1(C[NH3+])CCN(S(=O)(=O)c2cccc(Br)c2C#N)C1	ZINC000420442395	680453498	/nfs/dbraw/zinc/45/34/98/680453498.db2.gz	YKFOFHWHRSHEQB-ZDUSSCGKSA-N	1	0	358.261	1.680	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2	ZINC000420453330	680459763	/nfs/dbraw/zinc/45/97/63/680459763.db2.gz	BVOOUBKTXLMCBY-HNNXBMFYSA-N	1	0	368.528	1.782	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1Br	ZINC000420460274	680463097	/nfs/dbraw/zinc/46/30/97/680463097.db2.gz	SAZOLMWOROCXHY-KOLCDFICSA-N	1	0	358.261	1.726	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)cc1F	ZINC000421339617	680654828	/nfs/dbraw/zinc/65/48/28/680654828.db2.gz	GQXMSKGZYPZQBR-CYBMUJFWSA-N	1	0	354.428	1.683	20	30		FDEDRO
Cc1c(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)ccc(Br)c1C#N	ZINC000425720098	680920082	/nfs/dbraw/zinc/92/00/82/680920082.db2.gz	AYGRAHNNPAAAEF-SECBINFHSA-N	1	0	367.247	1.634	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(C[NH+](CC)CC)CC1	ZINC000425909174	680940937	/nfs/dbraw/zinc/94/09/37/680940937.db2.gz	MSDPNHOOVHIDHY-IRXDYDNUSA-N	1	0	351.491	1.274	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1C(F)(F)F	ZINC000427940196	680990401	/nfs/dbraw/zinc/99/04/01/680990401.db2.gz	KWQBUFQBBKLGGG-RISCZKNCSA-N	1	0	359.373	1.950	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C	ZINC000430385551	681074411	/nfs/dbraw/zinc/07/44/11/681074411.db2.gz	NMNJDXCAUJDJPA-NCOADZHNSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1	ZINC000437934036	681822935	/nfs/dbraw/zinc/82/29/35/681822935.db2.gz	PCOIMMGDEKZVLU-FUHWJXTLSA-N	1	0	352.523	1.635	20	30		FDEDRO
C=CCOc1ccc(CN2CCC(NS(=O)(=O)NC)CC2)cc1Cl	ZINC000438853312	681884556	/nfs/dbraw/zinc/88/45/56/681884556.db2.gz	CXKVTNRSGXSEAK-UHFFFAOYSA-N	1	0	373.906	1.923	20	30		FDEDRO
C=CCC[C@H](CO)[NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1	ZINC000449702674	682702310	/nfs/dbraw/zinc/70/23/10/682702310.db2.gz	ZRMNKEPWXCEOMF-OAHLLOKOSA-N	1	0	356.492	1.096	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CNC(=O)COc1ccc(C#N)c(Br)c1	ZINC000449828161	682716096	/nfs/dbraw/zinc/71/60/96/682716096.db2.gz	WMZMMJXRNPGNHI-LBPRGKRZSA-N	1	0	352.232	1.910	20	30		FDEDRO
C[C@H]1C[C@@]1(C#N)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1	ZINC000450903562	682789214	/nfs/dbraw/zinc/78/92/14/682789214.db2.gz	ATXCQFDXPRMQGS-LRDDRELGSA-N	1	0	350.444	1.015	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)Cc2ccc(F)cc2C#N)CC1	ZINC000451435992	682880157	/nfs/dbraw/zinc/88/01/57/682880157.db2.gz	WCFDDJVKGNOLON-AWEZNQCLSA-N	1	0	368.478	1.143	20	30		FDEDRO
C[C@@H]1[C@@H](O)CCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000451459261	682883602	/nfs/dbraw/zinc/88/36/02/682883602.db2.gz	PUUDGOKSHUNIEJ-OAGGEKHMSA-N	1	0	362.499	1.302	20	30		FDEDRO
CCO[C@@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C[C@H]1C	ZINC000451542705	682898187	/nfs/dbraw/zinc/89/81/87/682898187.db2.gz	OAAWCQGGBJOUFL-KZNAEPCWSA-N	1	0	350.507	1.426	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1nc(CC(=O)OCC)cs1	ZINC000451683923	682920114	/nfs/dbraw/zinc/92/01/14/682920114.db2.gz	SZEHOBXDCOSAQO-OLZOCXBDSA-N	1	0	353.444	1.510	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1	ZINC000475751377	685635950	/nfs/dbraw/zinc/63/59/50/685635950.db2.gz	TUVJRDVEKFEGGO-NVXWUHKLSA-N	1	0	368.499	1.155	20	30		FDEDRO
C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000453767934	683209542	/nfs/dbraw/zinc/20/95/42/683209542.db2.gz	YJLFVGVZHMMJES-LBPRGKRZSA-N	1	0	363.849	1.926	20	30		FDEDRO
C=C(C)CCNC(=O)N1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1	ZINC000455325137	683430903	/nfs/dbraw/zinc/43/09/03/683430903.db2.gz	MTDCVRBXRBHSEY-SFHVURJKSA-N	1	0	350.507	1.928	20	30		FDEDRO
N#Cc1ncc(NC(=O)NCCCC[N@H+]2CCC[C@H]2CO)cc1Cl	ZINC000455799433	683502756	/nfs/dbraw/zinc/50/27/56/683502756.db2.gz	XWVVDUCXLMQZBP-ZDUSSCGKSA-N	1	0	351.838	1.965	20	30		FDEDRO
COC(=O)c1ccc(N2CC[NH+](CCC(=O)N(C)CCC#N)CC2)s1	ZINC000459520794	684419364	/nfs/dbraw/zinc/41/93/64/684419364.db2.gz	VFAWPHLOOYCMBK-UHFFFAOYSA-N	1	0	364.471	1.419	20	30		FDEDRO
Cc1nsc(NC(=O)NCc2ccncc2OCC[NH+](C)C)c1C#N	ZINC000459569761	684426737	/nfs/dbraw/zinc/42/67/37/684426737.db2.gz	ZGDBNCOMHIPTNP-UHFFFAOYSA-N	1	0	360.443	1.980	20	30		FDEDRO
N#Cc1c(NC(=O)CC[N@@H+]2C[C@H](O)[C@H](CO)C2)sc2c1CCCCC2	ZINC000459717336	684450061	/nfs/dbraw/zinc/45/00/61/684450061.db2.gz	WWEPXCFYMMZXSM-WFASDCNBSA-N	1	0	363.483	1.502	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)C(=O)N1CCC([N@H+](C)CCO)CC1	ZINC000459866762	684473997	/nfs/dbraw/zinc/47/39/97/684473997.db2.gz	LKURKSFQWXXVDF-UHFFFAOYSA-N	1	0	365.499	1.178	20	30		FDEDRO
CC[NH+](CC)CCOCCNS(=O)(=O)c1ccc(C#N)cc1OC	ZINC000464206547	684729398	/nfs/dbraw/zinc/72/93/98/684729398.db2.gz	QGTPUIBHMREVLY-UHFFFAOYSA-N	1	0	355.460	1.204	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1	ZINC000472349604	685199867	/nfs/dbraw/zinc/19/98/67/685199867.db2.gz	RXGBOZYHWCRSRS-QZTJIDSGSA-N	1	0	364.515	1.749	20	30		FDEDRO
C=CCN(CC(F)(F)F)C(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1	ZINC000498226752	687768860	/nfs/dbraw/zinc/76/88/60/687768860.db2.gz	NUVYAABRAJITMX-KBPBESRZSA-N	1	0	361.408	1.896	20	30		FDEDRO
CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1	ZINC000498802851	687859301	/nfs/dbraw/zinc/85/93/01/687859301.db2.gz	SKTLLDIKNHTFOC-CQSZACIVSA-N	1	0	366.487	1.257	20	30		FDEDRO
C[NH+](C)CCCCNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1	ZINC000499222905	687921145	/nfs/dbraw/zinc/92/11/45/687921145.db2.gz	MHVWRKWIXNGFDJ-UHFFFAOYSA-N	1	0	351.472	1.836	20	30		FDEDRO
C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1	ZINC000512433041	689614612	/nfs/dbraw/zinc/61/46/12/689614612.db2.gz	JKWYTPKREZOSMU-IXDOHACOSA-N	1	0	352.475	1.620	20	30		FDEDRO
C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H]1CCCN(S(C)(=O)=O)C1	ZINC000512444698	689616261	/nfs/dbraw/zinc/61/62/61/689616261.db2.gz	RGFDJVXDNUPPBE-HNNXBMFYSA-N	1	0	356.488	1.822	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]CCC2CCS(=O)(=O)CC2)cc1	ZINC000515234578	689831777	/nfs/dbraw/zinc/83/17/77/689831777.db2.gz	KUDXYQXIQKHVHR-KRWDZBQOSA-N	1	0	366.483	1.297	20	30		FDEDRO
CN(C)C1(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CCCCCC1	ZINC000517780460	690096003	/nfs/dbraw/zinc/09/60/03/690096003.db2.gz	XYPHLCDJXVYIGB-UHFFFAOYSA-N	1	0	364.515	1.971	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)CC1	ZINC000517988169	690110690	/nfs/dbraw/zinc/11/06/90/690110690.db2.gz	KAUWNLRIGCMGDZ-ZOBUZTSGSA-N	1	0	366.531	1.479	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CC(=O)N(c2ccccc2Cl)C1	ZINC000519596099	690228336	/nfs/dbraw/zinc/22/83/36/690228336.db2.gz	JRKVYKQOAGWIBG-ZIAGYGMSSA-N	1	0	350.850	1.241	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNS(=O)(=O)Cc2cccc(C#N)c2)CC1	ZINC000521730360	694430453	/nfs/dbraw/zinc/43/04/53/694430453.db2.gz	JBKZYSQYWITPHQ-UHFFFAOYSA-N	1	0	365.499	1.867	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCN2S(=O)(=O)CCCC)CC1	ZINC000522271645	694476753	/nfs/dbraw/zinc/47/67/53/694476753.db2.gz	MAIASTAUKWSEFE-KRWDZBQOSA-N	1	0	371.547	1.737	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1	ZINC000528060692	694698985	/nfs/dbraw/zinc/69/89/85/694698985.db2.gz	MJVLFPJGWADRKX-QGZVFWFLSA-N	1	0	363.483	1.646	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1	ZINC000528060691	694698998	/nfs/dbraw/zinc/69/89/98/694698998.db2.gz	MJVLFPJGWADRKX-KRWDZBQOSA-N	1	0	363.483	1.646	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCCN(c2nccs2)CC1	ZINC000528358342	694711881	/nfs/dbraw/zinc/71/18/81/694711881.db2.gz	LDUCMXZQXNCMBO-MRXNPFEDSA-N	1	0	358.467	1.967	20	30		FDEDRO
C[C@]1(CO)CN(CC(=O)Nc2cc(Cl)ccc2C#N)C[C@@]1(C)CO	ZINC000528752668	694745857	/nfs/dbraw/zinc/74/58/57/694745857.db2.gz	OEYWDOUWUDYYKO-CALCHBBNSA-N	1	0	351.834	1.463	20	30		FDEDRO
C=CCCCS(=O)(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000641600419	696164462	/nfs/dbraw/zinc/16/44/62/696164462.db2.gz	MFYKSBSILGGJQL-CVEARBPZSA-N	1	0	359.536	1.449	20	30		FDEDRO
C=CC1CCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1	ZINC000641840020	696229087	/nfs/dbraw/zinc/22/90/87/696229087.db2.gz	PMFAIHYOOZKGHP-SFHVURJKSA-N	1	0	350.507	1.391	20	30		FDEDRO
CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1C[C@@H]2C[C@]2([NH3+])C1	ZINC001164419961	718887559	/nfs/dbraw/zinc/88/75/59/718887559.db2.gz	SLDZGVNHKKGXRJ-XPTSAGLGSA-N	1	0	356.760	1.866	20	30		FDEDRO
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1ccc(C#N)c(Cl)n1	ZINC001164618271	719012526	/nfs/dbraw/zinc/01/25/26/719012526.db2.gz	RUEPVLVMRDMSGQ-SDDRHHMPSA-N	1	0	370.787	1.881	20	30		FDEDRO
Cc1nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cnc1C#N	ZINC001164832883	720332635	/nfs/dbraw/zinc/33/26/35/720332635.db2.gz	UQPBPLHTMPQAQY-QZTJIDSGSA-N	1	0	368.485	1.568	20	30		FDEDRO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cncc(CC#N)n2)CC1	ZINC001164823254	720333308	/nfs/dbraw/zinc/33/33/08/720333308.db2.gz	ADLHPRXOLCBUFV-QZTJIDSGSA-N	1	0	368.485	1.454	20	30		FDEDRO
N#Cc1ccc2ncnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1	ZINC001164739646	720645675	/nfs/dbraw/zinc/64/56/75/720645675.db2.gz	GHDICYVYHYOSSF-JKSUJKDBSA-N	1	0	373.420	1.633	20	30		FDEDRO
N#Cc1cnc(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164745720	720651937	/nfs/dbraw/zinc/65/19/37/720651937.db2.gz	VVJJYXXIHRQZJY-OLZOCXBDSA-N	1	0	357.805	1.134	20	30		FDEDRO
Cc1cnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c(C=NO)c1	ZINC001164742920	720740940	/nfs/dbraw/zinc/74/09/40/720740940.db2.gz	PJJRFMZZRFEBID-HZPDHXFCSA-N	1	0	354.414	1.330	20	30		FDEDRO
Cc1nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)ccc1CC#N	ZINC001164739025	720773105	/nfs/dbraw/zinc/77/31/05/720773105.db2.gz	HQGJXOMOIICMHA-SJORKVTESA-N	1	0	350.426	1.588	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4[nH]cc(C#N)c43)CC[C@H]2C1	ZINC001164847906	720832289	/nfs/dbraw/zinc/83/22/89/720832289.db2.gz	KVFFBFIRRHSIOB-DZGCQCFKSA-N	1	0	356.430	1.003	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3ncc([N+](=O)[O-])cc3C#N)CC[C@H]2C1	ZINC001164854714	720850121	/nfs/dbraw/zinc/85/01/21/720850121.db2.gz	RKUZMGHVRRUVOE-BBRMVZONSA-N	1	0	361.402	1.035	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)n1	ZINC001164794772	721510529	/nfs/dbraw/zinc/51/05/29/721510529.db2.gz	VTAWUVLXKGIVSS-UHFFFAOYSA-N	1	0	351.458	1.226	20	30		FDEDRO
N#CC1(c2ccc(N3CC[NH+](C[C@H]4CCCO4)CC3)nc2)CCOCC1	ZINC001165036955	721915920	/nfs/dbraw/zinc/91/59/20/721915920.db2.gz	DTIMTGOVHCWBNO-GOSISDBHSA-N	1	0	356.470	1.954	20	30		FDEDRO
N#CC1(c2ccc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)nc2)CCOCC1	ZINC001164966636	722074722	/nfs/dbraw/zinc/07/47/22/722074722.db2.gz	DZFKPBDMVBPDOD-KDURUIRLSA-N	1	0	368.481	1.953	20	30		FDEDRO
Cc1ncc(C#N)c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1	ZINC001164999943	722252666	/nfs/dbraw/zinc/25/26/66/722252666.db2.gz	JPJTYGBKBVDARH-UHFFFAOYSA-N	1	0	355.446	1.342	20	30		FDEDRO
C=CCCn1cc(C[NH2+][C@H](C)CN2CCN(c3ccccn3)CC2)nn1	ZINC000657365483	782295597	/nfs/dbraw/zinc/29/55/97/782295597.db2.gz	BJEUXXBSKLITSF-QGZVFWFLSA-N	1	0	355.490	1.550	20	30		FDEDRO
C=CCCn1cc(CN[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)nn1	ZINC000657371634	782346850	/nfs/dbraw/zinc/34/68/50/782346850.db2.gz	XUIGYRVMTWJKDO-AZUAARDMSA-N	1	0	355.486	1.827	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2nncc3ccccc32)C[C@H]1C	ZINC001104409151	782543654	/nfs/dbraw/zinc/54/36/54/782543654.db2.gz	SQAUDULXTAIPFX-SJLPKXTDSA-N	1	0	366.465	1.967	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21	ZINC000972151459	782544442	/nfs/dbraw/zinc/54/44/42/782544442.db2.gz	AAHINCJLPMLLNX-ZTFGCOKTSA-N	1	0	369.469	1.432	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2c2ccco2)CC1	ZINC000947230503	782678818	/nfs/dbraw/zinc/67/88/18/782678818.db2.gz	UBPBLKFTARNQEN-KURKYZTESA-N	1	0	369.465	1.588	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)c1	ZINC001022726983	782687751	/nfs/dbraw/zinc/68/77/51/782687751.db2.gz	LVZQTNCBTJHWAT-CLWVCHIJSA-N	1	0	358.417	1.336	20	30		FDEDRO
C[NH+]1CCC(CNc2ccc(C#N)c([N+](=O)[O-])c2)(N2CCOCC2)CC1	ZINC000413478257	782694746	/nfs/dbraw/zinc/69/47/46/782694746.db2.gz	HXNMGKPEKCKCDQ-UHFFFAOYSA-N	1	0	359.430	1.675	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)cc1	ZINC000934444302	782726673	/nfs/dbraw/zinc/72/66/73/782726673.db2.gz	WVQOZPZKRMWHNG-SFHLNBCPSA-N	1	0	352.434	1.833	20	30		FDEDRO
C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C	ZINC000784924223	769598422	/nfs/dbraw/zinc/59/84/22/769598422.db2.gz	GUSZVIDUIZJMSL-UHFFFAOYSA-N	1	0	355.438	1.359	20	30		FDEDRO
C[NH+]1CCN(Cc2ccc(CNC(=O)NCC3(CC#N)CC3)cc2)CC1	ZINC000430191079	769719792	/nfs/dbraw/zinc/71/97/92/769719792.db2.gz	ZVBXPBSFCUIGTK-UHFFFAOYSA-N	1	0	355.486	1.927	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1	ZINC000728189525	769853902	/nfs/dbraw/zinc/85/39/02/769853902.db2.gz	NUOPTHHOKCCCMY-IPMKNSEASA-N	1	0	354.454	1.506	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc(OC)c2)C1	ZINC001022737139	782799884	/nfs/dbraw/zinc/79/98/84/782799884.db2.gz	QQVYTYFMAISNBE-PHAGKYIGSA-N	1	0	360.454	1.557	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](C)C	ZINC000969433882	770187073	/nfs/dbraw/zinc/18/70/73/770187073.db2.gz	NTFAYTFKPPPNOG-ADHGMGHFSA-N	1	0	363.502	1.510	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)NC(=O)CC(F)(F)F)C[C@H]1C	ZINC001104226911	770416771	/nfs/dbraw/zinc/41/67/71/770416771.db2.gz	FLLHYWAYXLSFFF-HZSPNIEDSA-N	1	0	361.408	1.541	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C[C@H]1C	ZINC001104228843	770732241	/nfs/dbraw/zinc/73/22/41/770732241.db2.gz	SHTLGULNMBOJLD-BHIYHBOVSA-N	1	0	359.514	1.733	20	30		FDEDRO
Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1	ZINC001020603985	770977742	/nfs/dbraw/zinc/97/77/42/770977742.db2.gz	RCVAWTNCNABYJP-BRSBDYLESA-N	1	0	367.428	1.971	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2CCO[C@@H]3CN(CC#Cc4ccccc4)C[C@@H]32)C1	ZINC001083192933	771018828	/nfs/dbraw/zinc/01/88/28/771018828.db2.gz	VGUMCGKXUUBANF-SESVDKBCSA-N	1	0	367.493	1.292	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@@H](O)C1	ZINC000969901228	771054102	/nfs/dbraw/zinc/05/41/02/771054102.db2.gz	YACQCRORONBXBW-XHSDSOJGSA-N	1	0	351.491	1.009	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCc3ncnn32)C1	ZINC001020713603	771285882	/nfs/dbraw/zinc/28/58/82/771285882.db2.gz	CRUIWTLPRQKKNK-JLOCXQCDSA-N	1	0	359.474	1.374	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCOC)CC1	ZINC000275111446	771327892	/nfs/dbraw/zinc/32/78/92/771327892.db2.gz	NDBJSXHMZRGEDG-UHFFFAOYSA-N	1	0	369.465	1.896	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1cccnc1	ZINC001167116577	771367620	/nfs/dbraw/zinc/36/76/20/771367620.db2.gz	PDAQTTQADOFJFI-DLBZAZTESA-N	1	0	357.458	1.043	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)CCc2ccc(C(N)=O)cc2)C[C@H]1C	ZINC001104415436	782922508	/nfs/dbraw/zinc/92/25/08/782922508.db2.gz	QSCYMPNZHGCULO-VQIMIIECSA-N	1	0	355.482	1.816	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(C)nnc2C)C[C@H]1C	ZINC001104239734	771607360	/nfs/dbraw/zinc/60/73/60/771607360.db2.gz	NANALYDHMLVIAG-CZUORRHYSA-N	1	0	359.474	1.083	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cnc3cc[nH]cc-3c2=O)C[C@H]1C	ZINC001104245516	771770542	/nfs/dbraw/zinc/77/05/42/771770542.db2.gz	MSZMHFRYQGAIDH-HUUCEWRRSA-N	1	0	352.438	1.634	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)Nc2cnccn2)C1	ZINC001104245705	771777068	/nfs/dbraw/zinc/77/70/68/771777068.db2.gz	XDQVJOGDRXCEMM-HZPDHXFCSA-N	1	0	359.474	1.846	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)N[C@H](C)CCC)CC1	ZINC001167277076	771855020	/nfs/dbraw/zinc/85/50/20/771855020.db2.gz	ADVDUAANTYFATR-ZACQAIPSSA-N	1	0	365.518	1.758	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)Nc2ccon2)CC1	ZINC001167277677	771857081	/nfs/dbraw/zinc/85/70/81/771857081.db2.gz	PVWADCVCPVWLJJ-KGLIPLIRSA-N	1	0	362.430	1.080	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1csc(-c3ncc[nH]3)n1)C2	ZINC001112481584	771938783	/nfs/dbraw/zinc/93/87/83/771938783.db2.gz	QIIYYTIWPRLXAN-UGSOOPFHSA-N	1	0	355.467	1.998	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCN2C(=O)CNC2=O)C1	ZINC001104250136	772002327	/nfs/dbraw/zinc/00/23/27/772002327.db2.gz	VNGSDTWQDKUTJO-HZPDHXFCSA-N	1	0	364.490	1.359	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(C(=O)NC)c2)C1	ZINC000970241387	772159973	/nfs/dbraw/zinc/15/99/73/772159973.db2.gz	GXIKIJDIOYKEPL-QYZOEREBSA-N	1	0	371.481	1.718	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CC3(CCC3)C1)C2	ZINC001112512707	782992209	/nfs/dbraw/zinc/99/22/09/782992209.db2.gz	PGTGPOTUDUAJLI-UWJYYQICSA-N	1	0	357.498	1.534	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(=O)COC)C[C@H]1C	ZINC001104259172	772511698	/nfs/dbraw/zinc/51/16/98/772511698.db2.gz	AOPUWRMMYYTYJJ-BRWVUGGUSA-N	1	0	353.507	1.520	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CCNC(=O)c2ccncc2)C[C@H]1C	ZINC001104259239	772511714	/nfs/dbraw/zinc/51/17/14/772511714.db2.gz	DPPCTJTYUKZHKO-SJLPKXTDSA-N	1	0	358.486	1.852	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1CC[NH2+]Cc1ccccc1C#N	ZINC001104261293	772518819	/nfs/dbraw/zinc/51/88/19/772518819.db2.gz	PQUJVHPRGNJRHG-LZQZEXGQSA-N	1	0	368.481	1.611	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)C4=COCCC4)[C@@H]3C2)CC1	ZINC001021223980	772542309	/nfs/dbraw/zinc/54/23/09/772542309.db2.gz	GLSDEWRVUAFHQF-PKOBYXMFSA-N	1	0	371.481	1.085	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2c(C)[nH]nc2Cl)C[C@H]1C	ZINC001104274744	772702978	/nfs/dbraw/zinc/70/29/78/772702978.db2.gz	XHDUTUGDTXMKGJ-DGCLKSJQSA-N	1	0	367.881	1.362	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2c(C)[nH]nc2Cl)C[C@H]1C	ZINC001104275779	772739887	/nfs/dbraw/zinc/73/98/87/772739887.db2.gz	YUJHZFYMKAGUBD-TZMCWYRMSA-N	1	0	352.866	1.709	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cc3c([nH]2)CCOC3)C[C@H]1C	ZINC001104283947	772829835	/nfs/dbraw/zinc/82/98/35/772829835.db2.gz	IKYHZMCSJSZYRM-HZPDHXFCSA-N	1	0	361.486	1.978	20	30		FDEDRO
C[N@H+](CC(=O)N1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1)C1CCC1	ZINC001021324599	772913163	/nfs/dbraw/zinc/91/31/63/772913163.db2.gz	HCQYCCBKHAZMSJ-WMLDXEAASA-N	1	0	355.442	1.044	20	30		FDEDRO
COC(=O)c1cn([C@H]2CCC[N@H+](CCCC3(C#N)CCOCC3)C2)nn1	ZINC000375626033	772931612	/nfs/dbraw/zinc/93/16/12/772931612.db2.gz	QSFNONIACSPBLD-HNNXBMFYSA-N	1	0	361.446	1.802	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3[nH]2)CC1	ZINC000275714114	773265795	/nfs/dbraw/zinc/26/57/95/773265795.db2.gz	RCZXKPFJTCBVPS-SJORKVTESA-N	1	0	358.442	1.114	20	30		FDEDRO
CCN1CCC([NH+]2CCC(C(=O)NCC#C[C@H]3CCCCO3)CC2)CC1	ZINC000891116439	773311453	/nfs/dbraw/zinc/31/14/53/773311453.db2.gz	MSHJDYADABQRSD-HXUWFJFHSA-N	1	0	361.530	1.871	20	30		FDEDRO
CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N[C@H](C)CC#N)c1	ZINC000275801872	773832396	/nfs/dbraw/zinc/83/23/96/773832396.db2.gz	DDSGVKNAOPTTBP-CQSZACIVSA-N	1	0	373.457	1.115	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C	ZINC000891245749	774081309	/nfs/dbraw/zinc/08/13/09/774081309.db2.gz	IQBSIASOTYNXQJ-RBUKOAKNSA-N	1	0	360.502	1.942	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)C1	ZINC001021588379	774096072	/nfs/dbraw/zinc/09/60/72/774096072.db2.gz	UERCUXAUFUMXHD-GBESFXJTSA-N	1	0	357.498	1.581	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1	ZINC000275886425	774356339	/nfs/dbraw/zinc/35/63/39/774356339.db2.gz	LXUBEZCAKOSICR-QZTJIDSGSA-N	1	0	355.438	1.100	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2cnccc2C)C[C@H]1C	ZINC001104307745	774464280	/nfs/dbraw/zinc/46/42/80/774464280.db2.gz	JQMRRNADDYEJEJ-FGTMMUONSA-N	1	0	370.497	1.145	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087135605	774657925	/nfs/dbraw/zinc/65/79/25/774657925.db2.gz	QEYWYSDSLJUUNS-FHLIZLRMSA-N	1	0	354.454	1.554	20	30		FDEDRO
C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)CC1	ZINC001167431477	774658009	/nfs/dbraw/zinc/65/80/09/774658009.db2.gz	BWBLHOBLHSDUBC-HZPDHXFCSA-N	1	0	366.893	1.917	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cc(=O)[nH]c(C2CC2)n1	ZINC001087135893	774670809	/nfs/dbraw/zinc/67/08/09/774670809.db2.gz	CWKHXTFTKFNDDP-IOASZLSFSA-N	1	0	357.458	1.936	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2c[nH]c(C)n2)C1=O	ZINC001087136244	774681640	/nfs/dbraw/zinc/68/16/40/774681640.db2.gz	OWCMPHCZFPVWMH-VNQPRFMTSA-N	1	0	359.474	1.335	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CCO[C@H]2C(=C)C)CC1	ZINC001167435196	774841346	/nfs/dbraw/zinc/84/13/46/774841346.db2.gz	NFOIAYZUBHPHFC-IKGGRYGDSA-N	1	0	363.502	1.534	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1(C[NH2+]Cc2cnnn2CC)CC1	ZINC001167435303	774843486	/nfs/dbraw/zinc/84/34/86/774843486.db2.gz	RQEGYIZYYIRKHT-IRXDYDNUSA-N	1	0	361.490	1.655	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1(C[NH2+][C@@H](C)c2nncn2C)CC1	ZINC001167435354	774845025	/nfs/dbraw/zinc/84/50/25/774845025.db2.gz	UUSFHNNWUBDHAS-JYJNAYRXSA-N	1	0	361.490	1.733	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3oc(=O)[nH]c3c2)C[C@H]1C	ZINC001104320731	774927835	/nfs/dbraw/zinc/92/78/35/774927835.db2.gz	BSUIYOCJAVFVLX-GDBMZVCRSA-N	1	0	371.437	1.871	20	30		FDEDRO
CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N[C@H](C)CC#N	ZINC000275997281	774932703	/nfs/dbraw/zinc/93/27/03/774932703.db2.gz	KKBHSIBJFFZLTB-CQSZACIVSA-N	1	0	373.457	1.194	20	30		FDEDRO
C=CCC[C@H](NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccccc1	ZINC000656321717	774979184	/nfs/dbraw/zinc/97/91/84/774979184.db2.gz	GSURNTZEGMUDFH-KSZLIROESA-N	1	0	357.454	1.088	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087141730	775157240	/nfs/dbraw/zinc/15/72/40/775157240.db2.gz	UTXQJDLDDDONPF-UXPWSPDFSA-N	1	0	370.497	1.606	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC23CC3)C[C@H]1C	ZINC001104724260	790395168	/nfs/dbraw/zinc/39/51/68/790395168.db2.gz	OFNHCFBDKFWEMJ-BRWVUGGUSA-N	1	0	360.502	1.623	20	30		FDEDRO
C[C@@H](NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccc(C#N)cc1	ZINC000891370044	775939289	/nfs/dbraw/zinc/93/92/89/775939289.db2.gz	INPKLHDSECMLHB-YYQUZTFQSA-N	1	0	369.425	1.196	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](O)Cn2cccn2)C1	ZINC001104731695	790405892	/nfs/dbraw/zinc/40/58/92/790405892.db2.gz	SQADUPOVZSFGIA-KZNAEPCWSA-N	1	0	362.518	1.921	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H](C[NH2+][C@H]2CCCN(C)C2=O)C1	ZINC001087151968	776032283	/nfs/dbraw/zinc/03/22/83/776032283.db2.gz	ULBMPFIMBLRCLS-COXVUDFISA-N	1	0	357.458	1.337	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H](C[NH2+][C@@H]2CCCN(C)C2=O)C1	ZINC001087151969	776034455	/nfs/dbraw/zinc/03/44/55/776034455.db2.gz	ULBMPFIMBLRCLS-XOKHGSTOSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)c2cn3c(n2)COCC3)C[C@H]1C	ZINC001104350837	776406413	/nfs/dbraw/zinc/40/64/13/776406413.db2.gz	MXLXISMXMGNRFG-TZMCWYRMSA-N	1	0	352.866	1.854	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(C)CCC2)C[C@H]1c1ccccc1	ZINC001211648638	790449797	/nfs/dbraw/zinc/44/97/97/790449797.db2.gz	HOKPAZPAAGDYRJ-ZWKOTPCHSA-N	1	0	353.466	1.510	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C23CCC(CC2)C3)C[C@H]1C	ZINC001104353653	776810183	/nfs/dbraw/zinc/81/01/83/776810183.db2.gz	CTMMEQQKRPBXNG-XWMDDUBWSA-N	1	0	359.514	1.779	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)C[C@]2(C)C1	ZINC000892712375	790491749	/nfs/dbraw/zinc/49/17/49/790491749.db2.gz	NACHETAOFPYAPG-UZLBHIALSA-N	1	0	368.485	1.515	20	30		FDEDRO
C=C(C)C[C@@H](CO)NC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1	ZINC000891412757	776938392	/nfs/dbraw/zinc/93/83/92/776938392.db2.gz	QPMPCHMYWMDXRF-KRWDZBQOSA-N	1	0	374.485	1.210	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(N)=O)C1	ZINC001104360774	777282966	/nfs/dbraw/zinc/28/29/66/777282966.db2.gz	WGQNPPXBQMYVOF-OWCLPIDISA-N	1	0	359.470	1.813	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@@H]([N@H+](C)Cc3cccc(C#N)c3)C2)C1	ZINC000971548807	777553079	/nfs/dbraw/zinc/55/30/79/777553079.db2.gz	AGGNIRZAFCEQCI-ZTFGCOKTSA-N	1	0	354.454	1.506	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCn2nc(C)nc2C)C1	ZINC000971559324	777617059	/nfs/dbraw/zinc/61/70/59/777617059.db2.gz	UWCHEJVSCWYWMW-KURKYZTESA-N	1	0	361.490	1.409	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](N[C@@H](C)c2nc(COC)no2)C1	ZINC001022099260	777903111	/nfs/dbraw/zinc/90/31/11/777903111.db2.gz	HJHIPKMTCGNFRO-AHDPXTMNSA-N	1	0	364.446	1.495	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCCCC2)C1	ZINC001022099971	777919084	/nfs/dbraw/zinc/91/90/84/777919084.db2.gz	VBCRVJUMILGFKN-XDNAFOTISA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CCCCN3C(C)=O)[C@H]2C1	ZINC001083221890	777974024	/nfs/dbraw/zinc/97/40/24/777974024.db2.gz	WNMAQZVEQLNEIN-GBESFXJTSA-N	1	0	363.502	1.655	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cn(C)nn2)[C@H](C[NH2+]Cc2ccc(C#N)cc2F)C1	ZINC001087161457	777988893	/nfs/dbraw/zinc/98/88/93/777988893.db2.gz	LFAFWSSIMMDTAU-CJNGLKHVSA-N	1	0	370.432	1.856	20	30		FDEDRO
COc1ccc(C[C@](C)(CO)[NH2+]C[C@H](O)CC2(C#N)CCOCC2)cc1	ZINC000933430294	778109866	/nfs/dbraw/zinc/10/98/66/778109866.db2.gz	MRRAVVVBLKOQKI-IEBWSBKVSA-N	1	0	362.470	1.650	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1	ZINC000933437046	778128048	/nfs/dbraw/zinc/12/80/48/778128048.db2.gz	XNXHJWNRXFNFDF-YJBOKZPZSA-N	1	0	362.495	1.896	20	30		FDEDRO
CC(C)(O)C[N@@H+]1CCCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1	ZINC000376743141	790602385	/nfs/dbraw/zinc/60/23/85/790602385.db2.gz	SROUALDFDPRPEP-GOSISDBHSA-N	1	0	354.454	1.546	20	30		FDEDRO
CC(C)(C#N)C(=O)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O	ZINC001143399055	778329419	/nfs/dbraw/zinc/32/94/19/778329419.db2.gz	GWWHZTMAPXXYSJ-UHFFFAOYSA-N	1	0	362.455	1.382	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cccs2)C[C@H]1c1ccccc1	ZINC001211519018	778359340	/nfs/dbraw/zinc/35/93/40/778359340.db2.gz	IGHXKTHTJRDOCN-DLBZAZTESA-N	1	0	367.474	1.695	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)C(=O)Nc2ccc3oc(C4CC4)nc3c2)C1	ZINC000891608333	778474611	/nfs/dbraw/zinc/47/46/11/778474611.db2.gz	UZVYESBXLURQMP-HNNXBMFYSA-N	1	0	366.421	1.858	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3CCN(C(=O)C[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)c1	ZINC001022212422	778634587	/nfs/dbraw/zinc/63/45/87/778634587.db2.gz	CXXIIFGETSPGDP-JENIJYKNSA-N	1	0	366.465	1.078	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1CC[NH2+]Cc1ccccc1C#N	ZINC001104376857	778694700	/nfs/dbraw/zinc/69/47/00/778694700.db2.gz	WQWBGAQYZLLWPG-AYOQOUSVSA-N	1	0	368.481	1.659	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C2(C)CCC2)C[C@H]1c1ccccc1	ZINC001211649019	790651130	/nfs/dbraw/zinc/65/11/30/790651130.db2.gz	RKEMMZMERBAIBT-YTQUADARSA-N	1	0	367.493	1.899	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)c(F)c1	ZINC001022230427	778796179	/nfs/dbraw/zinc/79/61/79/778796179.db2.gz	WOQBPDRTOXAIJS-QKPAOTATSA-N	1	0	353.401	1.961	20	30		FDEDRO
Cc1occc1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC#N)C1	ZINC001211522486	779109167	/nfs/dbraw/zinc/10/91/67/779109167.db2.gz	VIHZOPKFUKBDEG-ZWKOTPCHSA-N	1	0	366.421	1.426	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1CC[NH2+]CC#Cc1ccc(F)cc1	ZINC001104379608	779125901	/nfs/dbraw/zinc/12/59/01/779125901.db2.gz	BRHKJXVSZRVXSZ-GDBMZVCRSA-N	1	0	355.417	1.683	20	30		FDEDRO
CCCCCCCCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1	ZINC000891711930	779157199	/nfs/dbraw/zinc/15/71/99/779157199.db2.gz	OIFYKLMSXGDHRM-XHSDSOJGSA-N	1	0	352.479	1.923	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1F	ZINC001104379849	779158527	/nfs/dbraw/zinc/15/85/27/779158527.db2.gz	OWKKPWFCRYWTNB-IUODEOHRSA-N	1	0	356.405	1.703	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)Cc2c(F)cccc2C#N)CC1	ZINC000510682568	779531459	/nfs/dbraw/zinc/53/14/59/779531459.db2.gz	ONJBXHPPZMBAPT-KRWDZBQOSA-N	1	0	358.461	1.868	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CN(C)CC(=O)NC(C)C)C[C@H]1C	ZINC001104384667	779711363	/nfs/dbraw/zinc/71/13/63/779711363.db2.gz	CWNGZGRXRLGULD-QZTJIDSGSA-N	1	0	366.550	1.483	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)n1	ZINC000376801713	790729321	/nfs/dbraw/zinc/72/93/21/790729321.db2.gz	LYFCIMZRORYCKT-UHFFFAOYSA-N	1	0	359.478	1.638	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2CCCNC2=O)[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001087177714	779765563	/nfs/dbraw/zinc/76/55/63/779765563.db2.gz	NCXQAPRUWHNUEE-MNEFBYGVSA-N	1	0	368.481	1.801	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC=CCC2)C[C@H]1c1ccccc1	ZINC001211526869	780088044	/nfs/dbraw/zinc/08/80/44/780088044.db2.gz	ZSMCRLZNLKCJGQ-HSALFYBXSA-N	1	0	365.477	1.676	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1	ZINC000971870342	780297093	/nfs/dbraw/zinc/29/70/93/780297093.db2.gz	PAMSMBUCMWTMBK-ZTFGCOKTSA-N	1	0	369.469	1.434	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1cnc2n1CCOC2)C(C)C	ZINC000891940313	780319194	/nfs/dbraw/zinc/31/91/94/780319194.db2.gz	NPKVZSGGJXLLTL-KRWDZBQOSA-N	1	0	361.490	1.911	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC[C@@H]1CCC[N@@H+](C)C1	ZINC000458156308	780545252	/nfs/dbraw/zinc/54/52/52/780545252.db2.gz	BPCFLOPXBPKDKC-INIZCTEOSA-N	1	0	368.485	1.999	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[NH+](C)C	ZINC000290249550	790810487	/nfs/dbraw/zinc/81/04/87/790810487.db2.gz	MYHSYGJQHQHFBT-CYBMUJFWSA-N	1	0	367.409	1.750	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccnc(C3CC3)c2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104390409	780655405	/nfs/dbraw/zinc/65/54/05/780655405.db2.gz	ZLPNMEYSUFXGDD-RHSMWYFYSA-N	1	0	369.469	1.287	20	30		FDEDRO
C=CCCn1cc(C[NH2+]C[C@@H](c2cccs2)N2CCN(C)CC2)nn1	ZINC000657285352	781451878	/nfs/dbraw/zinc/45/18/78/781451878.db2.gz	AASDNCCOJYPSST-KRWDZBQOSA-N	1	0	360.531	1.994	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3CN(C(=O)C4([NH+](C)C)CCC4)C[C@H]32)c1	ZINC001022635333	781684086	/nfs/dbraw/zinc/68/40/86/781684086.db2.gz	ORKIDMNUJHDRTL-FUHWJXTLSA-N	1	0	366.465	1.220	20	30		FDEDRO
Cn1nncc1C[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@H]1c1ccccc1	ZINC001211538274	781802934	/nfs/dbraw/zinc/80/29/34/781802934.db2.gz	ZPOCRKLRSNDTMB-DLBZAZTESA-N	1	0	370.482	1.156	20	30		FDEDRO
CNS(=O)(=O)Cc1ccc2c(c1)c(CC[NH3+])cn2-c1cccc(C#N)n1	ZINC001167530300	781809511	/nfs/dbraw/zinc/80/95/11/781809511.db2.gz	XMMONPALOUHPSX-UHFFFAOYSA-N	1	0	369.450	1.448	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(OC)nc2)C[C@H]1C	ZINC001104400649	781848576	/nfs/dbraw/zinc/84/85/76/781848576.db2.gz	SIUZWTKKHMIBBE-GDBMZVCRSA-N	1	0	360.458	1.080	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21	ZINC000972339203	783341346	/nfs/dbraw/zinc/34/13/46/783341346.db2.gz	AVYVPHPPFJGHCW-HUUCEWRRSA-N	1	0	365.905	1.920	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C	ZINC000892283082	783365975	/nfs/dbraw/zinc/36/59/75/783365975.db2.gz	FCASXCKSRZKXRA-CQSZACIVSA-N	1	0	363.421	1.938	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cocn2)C[C@H]1c1ccccc1	ZINC001211554926	783490364	/nfs/dbraw/zinc/49/03/64/783490364.db2.gz	IPQJNRRFYWJNKI-HYVNUMGLSA-N	1	0	366.421	1.010	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccnc(N(C)C)c2)C1	ZINC000972375033	783538569	/nfs/dbraw/zinc/53/85/69/783538569.db2.gz	YHOHUETYQYLKSR-KSZLIROESA-N	1	0	358.486	1.771	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1	ZINC001024150025	783928177	/nfs/dbraw/zinc/92/81/77/783928177.db2.gz	CNXCBAVSIYRJRI-BRWVUGGUSA-N	1	0	365.518	1.255	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@H]3CC[C@H](C[NH3+])CC3)CC2)c1C#N	ZINC000892433210	783934592	/nfs/dbraw/zinc/93/45/92/783934592.db2.gz	DXGWBZHTQQIGPG-HDJSIYSDSA-N	1	0	362.503	1.672	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1	ZINC000658471871	784117731	/nfs/dbraw/zinc/11/77/31/784117731.db2.gz	JRWSVWDIIZVTCQ-KRWDZBQOSA-N	1	0	363.502	1.372	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]2O)C1	ZINC001025546039	791016726	/nfs/dbraw/zinc/01/67/26/791016726.db2.gz	VOLPTTGVBSEWRZ-QZTJIDSGSA-N	1	0	371.481	1.406	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)COc1ccccc1C#N	ZINC000364547938	785092288	/nfs/dbraw/zinc/09/22/88/785092288.db2.gz	SKKDLFAQYKYHBR-BPQIPLTHSA-N	1	0	357.454	1.943	20	30		FDEDRO
CCCN1C[C@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CC1=O	ZINC000413704286	785244073	/nfs/dbraw/zinc/24/40/73/785244073.db2.gz	XPJYNERCCQFGFO-GOSISDBHSA-N	1	0	368.481	1.919	20	30		FDEDRO
COc1ccc(CN2CCCC[C@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)cc1C#N	ZINC001024656205	785634477	/nfs/dbraw/zinc/63/44/77/785634477.db2.gz	ITMRUGMBIRMTON-BBWFWOEESA-N	1	0	370.453	1.159	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c(C)csc3=O)[C@H]2C1	ZINC001083271882	785926081	/nfs/dbraw/zinc/92/60/81/785926081.db2.gz	IQMVRLUFNDOCJC-LSDHHAIUSA-N	1	0	351.472	1.096	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)nn(C)c2OC)C[C@H]1c1ccccc1	ZINC001211682086	805657493	/nfs/dbraw/zinc/65/74/93/805657493.db2.gz	JJGYURFGLJTXGC-ZWKOTPCHSA-N	1	0	366.465	1.958	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC2(C)CC2)C[C@H]1c1ccccc1	ZINC001211637390	786658497	/nfs/dbraw/zinc/65/84/97/786658497.db2.gz	NJDDRRMQQGZLFU-NZSAHSFTSA-N	1	0	367.493	1.899	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNc2ncc([N+](=O)[O-])cc2C#N)CC1	ZINC000431805220	787017316	/nfs/dbraw/zinc/01/73/16/787017316.db2.gz	QVGRBYZMACSKBP-UHFFFAOYSA-N	1	0	374.445	1.900	20	30		FDEDRO
C#Cc1cncc(C(=O)N(C)CCCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1	ZINC001067536328	787100211	/nfs/dbraw/zinc/10/02/11/787100211.db2.gz	SKTHNUGBJOXVAT-CRAIPNDOSA-N	1	0	356.470	1.324	20	30		FDEDRO
N#Cc1cccc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2CC[C@@H](C(N)=O)C2)c1	ZINC001025086794	787799076	/nfs/dbraw/zinc/79/90/76/787799076.db2.gz	FQHQOCJLMKJBEZ-CEXWTWQISA-N	1	0	368.481	1.931	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)C1=O	ZINC000659040558	787869198	/nfs/dbraw/zinc/86/91/98/787869198.db2.gz	GFODELGGWIUPOL-SJORKVTESA-N	1	0	358.442	1.598	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)CN3CCc4ccccc43)[C@H]2C1	ZINC001083278210	787881115	/nfs/dbraw/zinc/88/11/15/787881115.db2.gz	MVFVPHMDTWJHRN-VQTJNVASSA-N	1	0	355.482	1.927	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1	ZINC000376458110	787885373	/nfs/dbraw/zinc/88/53/73/787885373.db2.gz	NQMUAXZPXDBDTJ-IQUTYRLHSA-N	1	0	366.425	1.018	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCNC2=O)C1	ZINC001104563681	787925346	/nfs/dbraw/zinc/92/53/46/787925346.db2.gz	QXQRPGUBVHXRAP-BRWVUGGUSA-N	1	0	350.507	1.688	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@H]21	ZINC000978854184	805832834	/nfs/dbraw/zinc/83/28/34/805832834.db2.gz	KKOBCGKZMPMPEN-CBNQQXHVSA-N	1	0	371.481	1.161	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCOCC)C1	ZINC001104563895	787933590	/nfs/dbraw/zinc/93/35/90/787933590.db2.gz	YGQZXQKLVHHNHB-RCCFBDPRSA-N	1	0	367.534	1.816	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2csc(C)n2)C[C@H]1C	ZINC001104578408	788405580	/nfs/dbraw/zinc/40/55/80/788405580.db2.gz	WWWBACISVCSVJC-VNHYZAJKSA-N	1	0	362.499	1.277	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccoc2C2CC2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104587077	788736056	/nfs/dbraw/zinc/73/60/56/788736056.db2.gz	FNAJKLOKLVBWSC-UKRRQHHQSA-N	1	0	358.442	1.485	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC(=O)NC)C1	ZINC001104607127	788848556	/nfs/dbraw/zinc/84/85/56/788848556.db2.gz	KYJYDTRPPZMYLB-RBSFLKMASA-N	1	0	352.479	1.261	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H]2CCS(=O)(=O)C2)C1	ZINC001104607380	788849434	/nfs/dbraw/zinc/84/94/34/788849434.db2.gz	RGCLZMYZCVTKLI-BRWVUGGUSA-N	1	0	356.532	1.852	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C	ZINC001104609411	788881132	/nfs/dbraw/zinc/88/11/32/788881132.db2.gz	ODIWEUHCQQKVMY-BZUAXINKSA-N	1	0	359.536	1.484	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)N2CCC3(CC2)CC(=O)C=CO3)CC1	ZINC000892685602	788887602	/nfs/dbraw/zinc/88/76/02/788887602.db2.gz	AVCMHGYBPCCYOT-UHFFFAOYSA-N	1	0	365.474	1.535	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCCO)C1	ZINC001211688425	805927217	/nfs/dbraw/zinc/92/72/17/805927217.db2.gz	XLUZPAMVPQAISW-HAGHYFMRSA-N	1	0	358.482	1.934	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(CC=C)CCC2)C[C@H]1C	ZINC001104639084	789111636	/nfs/dbraw/zinc/11/16/36/789111636.db2.gz	JVQCJYYFFVEXEM-KZNAEPCWSA-N	1	0	359.514	1.945	20	30		FDEDRO
C=CCN(C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H](C)COC	ZINC000659536936	789142653	/nfs/dbraw/zinc/14/26/53/789142653.db2.gz	AVDQBVIVLLYCHV-STQMWFEESA-N	1	0	352.401	1.055	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ncnn3CC)C2)c1	ZINC001104659461	789181675	/nfs/dbraw/zinc/18/16/75/789181675.db2.gz	MJYGOHSYSPRLLC-NVXWUHKLSA-N	1	0	366.469	1.562	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ocnc2CC)C[C@H]1C	ZINC001104659905	789210577	/nfs/dbraw/zinc/21/05/77/789210577.db2.gz	ZNHKNGJCKFLDLB-QLFBSQMISA-N	1	0	362.474	1.616	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)Cc2cn(C)nc2Cl)C[C@H]1C	ZINC001104673611	789272107	/nfs/dbraw/zinc/27/21/07/789272107.db2.gz	DDJJJDCZYDAYQT-HUUCEWRRSA-N	1	0	368.909	1.893	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cc(-n3cccn3)ccn2)C[C@H]1C	ZINC001104667449	789274264	/nfs/dbraw/zinc/27/42/64/789274264.db2.gz	MZNLYFGEHLLBCN-IAGOWNOFSA-N	1	0	351.454	1.978	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccn3nnnc3c2)C[C@H]1c1ccccc1	ZINC001211646870	789275630	/nfs/dbraw/zinc/27/56/30/789275630.db2.gz	MQIYJQOFVUKBJO-ZWKOTPCHSA-N	1	0	362.437	1.898	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCS(C)(=O)=O)C1	ZINC001211647302	789358660	/nfs/dbraw/zinc/35/86/60/789358660.db2.gz	YWVFYXGJYSPOFN-DLBZAZTESA-N	1	0	364.511	1.827	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1C	ZINC001104685528	789374582	/nfs/dbraw/zinc/37/45/82/789374582.db2.gz	MBQCCFDMOWYPGI-WCXIOVBPSA-N	1	0	351.491	1.165	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)Cc3ccc(OC)cc3)[C@H]2C1	ZINC001083281528	789632630	/nfs/dbraw/zinc/63/26/30/789632630.db2.gz	QRLZGGXQFLIEML-FFZOFVMBSA-N	1	0	356.466	1.809	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cccc3c2OCC3)C[C@H]1C	ZINC001104711621	789650385	/nfs/dbraw/zinc/65/03/85/789650385.db2.gz	SUIMOATXFNIKLE-NVXWUHKLSA-N	1	0	371.481	1.612	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)C[C@H]1C	ZINC001104714102	789664024	/nfs/dbraw/zinc/66/40/24/789664024.db2.gz	LARSEPQWZFBNQD-UKRRQHHQSA-N	1	0	359.474	1.277	20	30		FDEDRO
C#CCOc1ccc(C[NH2+][C@H]2CCCN(Cc3nccn3C)C2=O)cc1	ZINC000782981122	789665046	/nfs/dbraw/zinc/66/50/46/789665046.db2.gz	YGIMQEIKPSYCGT-SFHVURJKSA-N	1	0	352.438	1.713	20	30		FDEDRO
CCOC(=O)[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000422981415	814928190	/nfs/dbraw/zinc/92/81/90/814928190.db2.gz	SQJUFJHFSYHWNA-QGPMSJSTSA-N	1	0	360.433	1.549	20	30		FDEDRO
C[C@@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)C[C@@H](C)O1	ZINC000290266461	791249246	/nfs/dbraw/zinc/24/92/46/791249246.db2.gz	OVXOPDHGWLYJEL-CHWSQXEVSA-N	1	0	362.405	1.251	20	30		FDEDRO
C=C[C@H](CO)[NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1	ZINC000662165779	806048539	/nfs/dbraw/zinc/04/85/39/806048539.db2.gz	PJBNBIGHWDXRQT-GFCCVEGCSA-N	1	0	359.257	1.174	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)C2(N3CCOCC3)CCCC2)C[C@H]1C	ZINC001104745025	791270868	/nfs/dbraw/zinc/27/08/68/791270868.db2.gz	DBYJNGBWFMOZAU-RTBURBONSA-N	1	0	361.530	1.729	20	30		FDEDRO
Cc1cc(NC(=O)N2CC[C@H](C[NH+](C)C)C2)nn1-c1cccc(C#N)c1	ZINC000377246991	791362000	/nfs/dbraw/zinc/36/20/00/791362000.db2.gz	XXBJNTKAWFBPSC-MRXNPFEDSA-N	1	0	352.442	2.468	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@]34C[C@H]3CCC4)C2)CC1	ZINC000979119189	806063640	/nfs/dbraw/zinc/06/36/40/806063640.db2.gz	QJAOABSBKOFQPL-LAVAIGHBSA-N	1	0	357.498	1.533	20	30		FDEDRO
COC1CC[NH+](C2(CNC(=O)N3CCO[C@](C)(C#N)C3)CCCC2)CC1	ZINC000892886318	791556549	/nfs/dbraw/zinc/55/65/49/791556549.db2.gz	QSTQKAOYFDVVEN-GOSISDBHSA-N	1	0	364.490	1.734	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2	ZINC000415200882	791632735	/nfs/dbraw/zinc/63/27/35/791632735.db2.gz	CCAMDQWLKFCTFR-DYVFJYSZSA-N	1	0	359.426	1.205	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC23CCN(c2ccnc(C#N)n2)CC3)CC[N@@H+]1C	ZINC001058655694	791699350	/nfs/dbraw/zinc/69/93/50/791699350.db2.gz	HLRWYNIDYRFPIZ-ARFHVFGLSA-N	1	0	368.485	1.554	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CC23CCN(c2ccc(C#N)nc2)CC3)CC[N@@H+]1C	ZINC001058655856	791704469	/nfs/dbraw/zinc/70/44/69/791704469.db2.gz	MXAPQFATXXPEJD-OLMNPRSZSA-N	1	0	353.470	1.769	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)NCCC[NH2+]Cc1cccnc1	ZINC000415310612	791912194	/nfs/dbraw/zinc/91/21/94/791912194.db2.gz	WXBQWMAULNZVOA-UHFFFAOYSA-N	1	0	351.410	1.496	20	30		FDEDRO
Cn1cnc2c(c1=O)CCN(C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C2	ZINC000330112017	791912879	/nfs/dbraw/zinc/91/28/79/791912879.db2.gz	RODJPRCZDFMIFM-KRWDZBQOSA-N	1	0	355.442	1.355	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1C#N	ZINC000415346136	791985256	/nfs/dbraw/zinc/98/52/56/791985256.db2.gz	BNSZNOSSEUFGFL-UONOGXRCSA-N	1	0	358.442	1.788	20	30		FDEDRO
C=CCNC(=O)COC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2	ZINC000892959205	792197523	/nfs/dbraw/zinc/19/75/23/792197523.db2.gz	WGUTVFJVGXJLMK-XLIONFOSSA-N	1	0	358.438	1.371	20	30		FDEDRO
C=CCN(C(=O)c1ccc(=O)n(C)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000377572592	792244068	/nfs/dbraw/zinc/24/40/68/792244068.db2.gz	KFCLZXWTSFUANK-QGZVFWFLSA-N	1	0	352.438	1.683	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)NCCC[C@@H]3CCC[NH2+]3)n2)c(F)c1	ZINC000415462144	792309573	/nfs/dbraw/zinc/30/95/73/792309573.db2.gz	PFDXCUFXIWHECX-AWEZNQCLSA-N	1	0	356.405	2.537	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)NC[C@@H]2CCC[NH2+]2)c(C#N)cn1CCOC	ZINC000415488452	792357798	/nfs/dbraw/zinc/35/77/98/792357798.db2.gz	LMSVONFAHNZKDL-ZDUSSCGKSA-N	1	0	363.418	1.056	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1	ZINC000415497385	792373249	/nfs/dbraw/zinc/37/32/49/792373249.db2.gz	HOJGTUZZSFYFLE-MRXNPFEDSA-N	1	0	360.458	1.373	20	30		FDEDRO
C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	ZINC000415498340	792375892	/nfs/dbraw/zinc/37/58/92/792375892.db2.gz	PWSPRMJTIUQQOD-CQSZACIVSA-N	1	0	369.450	1.831	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1	ZINC000415578694	792589477	/nfs/dbraw/zinc/58/94/77/792589477.db2.gz	IWTAKTGCKDIVDZ-XHSDSOJGSA-N	1	0	370.453	1.870	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC#C[C@@H]2CCCCO2)[C@@H](C)C1	ZINC000893050960	792647075	/nfs/dbraw/zinc/64/70/75/792647075.db2.gz	PLDQMWBQRASLRI-FHWLQOOXSA-N	1	0	365.518	1.995	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H]3C(=O)NC[C@H]3C2)c(OC)c1	ZINC000377728730	792659752	/nfs/dbraw/zinc/65/97/52/792659752.db2.gz	WLHYOTCZNHLXFS-BBWFWOEESA-N	1	0	360.454	1.231	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1	ZINC000415639906	792749295	/nfs/dbraw/zinc/74/92/95/792749295.db2.gz	DEESYUOAFHWENW-IYBDPMFKSA-N	1	0	371.441	1.286	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1	ZINC000377762774	792750203	/nfs/dbraw/zinc/75/02/03/792750203.db2.gz	SVDUVBGNWKHKLG-CVEARBPZSA-N	1	0	364.490	1.937	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1	ZINC000377765314	792751868	/nfs/dbraw/zinc/75/18/68/792751868.db2.gz	UVXGDSKERDASSD-CVEARBPZSA-N	1	0	364.490	1.937	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C(F)(F)F	ZINC001112041213	792812368	/nfs/dbraw/zinc/81/23/68/792812368.db2.gz	KUKVHLGXKWUNIK-CHWSQXEVSA-N	1	0	362.400	1.622	20	30		FDEDRO
O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1	ZINC000415751098	792910351	/nfs/dbraw/zinc/91/03/51/792910351.db2.gz	VOYWIEXIIXLEQB-QZTJIDSGSA-N	1	0	374.444	1.488	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(n2cc(C[NH2+]CCCF)nn2)C1	ZINC001105342543	806206184	/nfs/dbraw/zinc/20/61/84/806206184.db2.gz	KDTFYXMGAHLGQR-HOTGVXAUSA-N	1	0	351.426	1.092	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2cccnc2)C1=O	ZINC001026062230	793049094	/nfs/dbraw/zinc/04/90/94/793049094.db2.gz	BJPDJSFELZMAPC-PKRLLGJHSA-N	1	0	366.465	1.018	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c1	ZINC000415815979	793054306	/nfs/dbraw/zinc/05/43/06/793054306.db2.gz	SUBOYOKPJJJXKW-VXGBXAGGSA-N	1	0	366.368	1.732	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)cc1	ZINC000415821916	793078329	/nfs/dbraw/zinc/07/83/29/793078329.db2.gz	JEKFZDUBHNAXCH-UHFFFAOYSA-N	1	0	359.430	1.143	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1C#N	ZINC000415837862	793108405	/nfs/dbraw/zinc/10/84/05/793108405.db2.gz	CVYFCGLRBNOYJP-HIFRSBDPSA-N	1	0	358.442	1.727	20	30		FDEDRO
[NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1	ZINC000415844153	793162933	/nfs/dbraw/zinc/16/29/33/793162933.db2.gz	SWLGKEPFZLCNGF-APWZRJJASA-N	1	0	362.433	1.664	20	30		FDEDRO
C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C[NH3+]	ZINC000415855710	793191292	/nfs/dbraw/zinc/19/12/92/793191292.db2.gz	YUTUJYTZXRWBNU-CMPLNLGQSA-N	1	0	368.359	1.959	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)nc1	ZINC000415865244	793237891	/nfs/dbraw/zinc/23/78/91/793237891.db2.gz	XOZUSTBFXXXLNW-JKSUJKDBSA-N	1	0	367.384	1.374	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN([C@H](C)c3nnc(CC)o3)C[C@H]21	ZINC001026101806	793302515	/nfs/dbraw/zinc/30/25/15/793302515.db2.gz	IGGWARIRMWZCHI-GTLGIVGDSA-N	1	0	360.458	1.721	20	30		FDEDRO
CCOC(=O)COc1c(C#N)cc(Br)cc1NCC[NH2+]C	ZINC001167725528	793439357	/nfs/dbraw/zinc/43/93/57/793439357.db2.gz	BWMRAKQJHMXSNI-UHFFFAOYSA-N	1	0	356.220	1.894	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnoc3C)C2)nn1	ZINC001104769505	793557106	/nfs/dbraw/zinc/55/71/06/793557106.db2.gz	WMFQCYQUFOKKIJ-UKRRQHHQSA-N	1	0	358.446	1.649	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2C[C@@H]3CCC[C@]3(CNCC#N)C2)C1	ZINC001112529624	806266290	/nfs/dbraw/zinc/26/62/90/806266290.db2.gz	IDVPAOAOBPICQH-SNRMKQJTSA-N	1	0	350.482	1.941	20	30		FDEDRO
CNC(=O)C1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ccc(C#N)cc3)C2)CC1	ZINC001104790635	793702772	/nfs/dbraw/zinc/70/27/72/793702772.db2.gz	ZBYFRHXQKHHCGM-CRAIPNDOSA-N	1	0	368.481	1.659	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)CCC(C)C)C[C@H]1C	ZINC001104799912	793760777	/nfs/dbraw/zinc/76/07/77/793760777.db2.gz	VCAKJXDCDRCRSE-QZTJIDSGSA-N	1	0	367.534	1.816	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)C2CCOCC2)C[C@H]1C	ZINC001104804092	793769404	/nfs/dbraw/zinc/76/94/04/793769404.db2.gz	OPAZVQORGIAAIJ-NVXWUHKLSA-N	1	0	351.491	1.180	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1CC[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001104810471	793816164	/nfs/dbraw/zinc/81/61/64/793816164.db2.gz	SWUNDRVSPAATCS-IUODEOHRSA-N	1	0	356.405	1.703	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)CC1	ZINC000278824258	793893773	/nfs/dbraw/zinc/89/37/73/793893773.db2.gz	CEYCNIKSLMWKHN-CQSZACIVSA-N	1	0	352.442	1.698	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)CC[C@H]2CCCOC2)C[C@H]1C	ZINC001104850443	794060337	/nfs/dbraw/zinc/06/03/37/794060337.db2.gz	HDACWGZKSLOPLG-GUDVDZBRSA-N	1	0	350.503	1.917	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cccc(OC)n2)C[C@H]1C	ZINC001104861307	794110080	/nfs/dbraw/zinc/11/00/80/794110080.db2.gz	XEBJXCMMFKFYRK-HUUCEWRRSA-N	1	0	360.458	1.080	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C	ZINC001104879445	794193914	/nfs/dbraw/zinc/19/39/14/794193914.db2.gz	KAMCXVBBKUSGMO-BRWVUGGUSA-N	1	0	354.516	1.299	20	30		FDEDRO
C[C@H](NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)C1=CC[N@H+](C)CC1	ZINC000378568001	794333125	/nfs/dbraw/zinc/33/31/25/794333125.db2.gz	NVCQRGZITFWPNN-HNNXBMFYSA-N	1	0	368.485	1.872	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C(=O)NC)nc2)C[C@H]1C	ZINC001104920182	794381998	/nfs/dbraw/zinc/38/19/98/794381998.db2.gz	JYTXGIYPSYMGLA-IUODEOHRSA-N	1	0	364.877	1.882	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@H](C)n2cccc2)C[C@H]1C	ZINC001104926994	794425546	/nfs/dbraw/zinc/42/55/46/794425546.db2.gz	NSERCLXCAJWJDP-FGTMMUONSA-N	1	0	358.486	1.263	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@@H](C)n2cccc2)C[C@H]1C	ZINC001104927277	794427677	/nfs/dbraw/zinc/42/76/77/794427677.db2.gz	ZYRYIKNZADLPNQ-KZNAEPCWSA-N	1	0	360.502	1.816	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccccc2Cl)C[C@H]1C	ZINC001104939802	794494190	/nfs/dbraw/zinc/49/41/90/794494190.db2.gz	HTOVZHLDZKYIPS-HUUCEWRRSA-N	1	0	361.873	1.777	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C)cc2)C[C@H]1C	ZINC001104944389	794505671	/nfs/dbraw/zinc/50/56/71/794505671.db2.gz	BPYIYWSWMMREKV-ZHALLVOQSA-N	1	0	355.482	1.821	20	30		FDEDRO
COC(=O)c1cn([C@@H]2CC[N@H+](Cc3ccc(N(C)CCC#N)cc3)C2)nn1	ZINC000363908149	794522363	/nfs/dbraw/zinc/52/23/63/794522363.db2.gz	NWAZOUGMBVSYOE-QGZVFWFLSA-N	1	0	368.441	1.862	20	30		FDEDRO
C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C	ZINC000660068671	794540343	/nfs/dbraw/zinc/54/03/43/794540343.db2.gz	OSYAJUGMYHKKKH-IYBDPMFKSA-N	1	0	352.504	1.933	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCOC2)C[C@H]1C(F)(F)F	ZINC001112066888	794566530	/nfs/dbraw/zinc/56/65/30/794566530.db2.gz	KZKDYFFLSQLTCC-MGPQQGTHSA-N	1	0	350.381	1.595	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC)C2)CCOCC1	ZINC001104959346	794592763	/nfs/dbraw/zinc/59/27/63/794592763.db2.gz	BJAOVQWAAHUWIP-HZPDHXFCSA-N	1	0	351.491	1.180	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)c2cccc(C(=O)NC)n2)C[C@H]1C	ZINC001104964125	794599497	/nfs/dbraw/zinc/59/94/97/794599497.db2.gz	GSGDWMBSEMHTFU-TZMCWYRMSA-N	1	0	364.877	1.882	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)c2cccc(C)c2)C[C@H]1C	ZINC001104976221	794692997	/nfs/dbraw/zinc/69/29/97/794692997.db2.gz	HMRIRKDIANHWRL-IEBWSBKVSA-N	1	0	355.482	1.822	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2cccc(F)c2)C[C@H]1C	ZINC001104980080	794727249	/nfs/dbraw/zinc/72/72/49/794727249.db2.gz	CUKNREYIHWRKOP-NVXWUHKLSA-N	1	0	359.445	1.192	20	30		FDEDRO
C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C	ZINC001104986929	794744496	/nfs/dbraw/zinc/74/44/96/794744496.db2.gz	CGCATVLRCMMJPB-HZPDHXFCSA-N	1	0	364.490	1.359	20	30		FDEDRO
CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C	ZINC001104987340	794745080	/nfs/dbraw/zinc/74/50/80/794745080.db2.gz	PZGCTBVXTZSEQX-HZPDHXFCSA-N	1	0	366.506	1.583	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)C2CCN(C(N)=O)CC2)C[C@H]1C	ZINC001104993395	794752467	/nfs/dbraw/zinc/75/24/67/794752467.db2.gz	XTMHZDKTJXXFHG-NVXWUHKLSA-N	1	0	350.507	1.818	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CN(C)c3ncccc3C#N)C2)CC[N@@H+]1C	ZINC001058708510	794766715	/nfs/dbraw/zinc/76/67/15/794766715.db2.gz	NTOPLXJMVBMZLL-SOLBZPMBSA-N	1	0	355.486	1.968	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1CC[NH2+]CC(=O)N1CCC1	ZINC001105045618	795048655	/nfs/dbraw/zinc/04/86/55/795048655.db2.gz	YVSUFZHXVXLLGB-UYAOXDASSA-N	1	0	367.493	1.735	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)c2cccc(C(N)=O)n2)C[C@H]1C	ZINC001105080305	795183053	/nfs/dbraw/zinc/18/30/53/795183053.db2.gz	CQTTWRFXXYMKHV-DGCLKSJQSA-N	1	0	350.850	1.621	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](O)CC(F)(F)F)C1	ZINC001105090027	795233067	/nfs/dbraw/zinc/23/30/67/795233067.db2.gz	FTKQQLJIICTOJM-KFWWJZLASA-N	1	0	366.424	1.967	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCN(CC=C)C2=O)C1	ZINC001105090217	795234154	/nfs/dbraw/zinc/23/41/54/795234154.db2.gz	MYBMUCVIMGACSB-KZNAEPCWSA-N	1	0	363.502	1.440	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCN(C(C)C)C2=O)C1	ZINC001105090310	795234162	/nfs/dbraw/zinc/23/41/62/795234162.db2.gz	QCSTWWSZMXXZKP-KURKYZTESA-N	1	0	365.518	1.663	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NCC(C)C)C1	ZINC001105090426	795234865	/nfs/dbraw/zinc/23/48/65/795234865.db2.gz	VCNPZORXVUGYAI-FGTMMUONSA-N	1	0	367.534	1.814	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H](CC)C(N)=O)C1	ZINC001112079827	795251246	/nfs/dbraw/zinc/25/12/46/795251246.db2.gz	WHOSBEUFRGTSOP-FRRDWIJNSA-N	1	0	365.396	1.212	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cccc3c2CCC3)C[C@H]1C	ZINC001105094957	795256943	/nfs/dbraw/zinc/25/69/43/795256943.db2.gz	KBMYBOHZNLELST-SJLPKXTDSA-N	1	0	367.493	1.613	20	30		FDEDRO
CN1CCN(C(=O)NC2CC[NH+](Cc3ccccc3F)CC2)C[C@H]1C#N	ZINC000364213193	795461448	/nfs/dbraw/zinc/46/14/48/795461448.db2.gz	CMRYPTVEFPELDK-QGZVFWFLSA-N	1	0	359.449	1.639	20	30		FDEDRO
C=C(C)CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3OCC[C@H]3C(C)C)C2)nn1	ZINC001105243171	795532863	/nfs/dbraw/zinc/53/28/63/795532863.db2.gz	YLZRKXMOTSDIKO-ROUUACIJSA-N	1	0	361.490	1.778	20	30		FDEDRO
C=CCN(C(=O)N[C@H](C)C(=O)N(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000364281213	795590264	/nfs/dbraw/zinc/59/02/64/795590264.db2.gz	UAAWQCSVEXYSHO-SJLPKXTDSA-N	1	0	358.486	1.935	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(C)C)C1	ZINC001111598260	795734411	/nfs/dbraw/zinc/73/44/11/795734411.db2.gz	QBABWUZYBZEPDJ-GLJUWKHASA-N	1	0	350.463	1.013	20	30		FDEDRO
C=CCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCO[C@H]3C3CC3)C2)nn1	ZINC001105288022	795817800	/nfs/dbraw/zinc/81/78/00/795817800.db2.gz	AMNCHRITIAXNRP-MSOLQXFVSA-N	1	0	359.474	1.532	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCN(C(=O)c3ccccc3OC)CC2)CCC[NH2+]1	ZINC000662472240	806698055	/nfs/dbraw/zinc/69/80/55/806698055.db2.gz	KXUIXLPPINWHQP-FQEVSTJZSA-N	1	0	357.454	1.678	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1	ZINC000980053061	806711184	/nfs/dbraw/zinc/71/11/84/806711184.db2.gz	WWFZPXUZYCTLLH-VQHPVUNQSA-N	1	0	361.486	1.217	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@]34C[C@H]3COC4)C2)cc1C#N	ZINC001026854678	800032911	/nfs/dbraw/zinc/03/29/11/800032911.db2.gz	MDYYUSKWGCBJJZ-SYNHAJSKSA-N	1	0	355.438	1.541	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)C[N@H+]4CC[C@H](C)C4)C[C@H]32)nc1	ZINC000974680569	800062200	/nfs/dbraw/zinc/06/22/00/800062200.db2.gz	QVZHQTXSPMFWQF-KVSKMBFKSA-N	1	0	366.465	1.078	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C(C)(C)C1	ZINC000974687199	800073074	/nfs/dbraw/zinc/07/30/74/800073074.db2.gz	RZLZVFUZIZVTJA-KBAYOESNSA-N	1	0	358.486	1.831	20	30		FDEDRO
CC#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C(C)(C)C1	ZINC000974684297	800082388	/nfs/dbraw/zinc/08/23/88/800082388.db2.gz	HVTGTPRAOQZNHF-IPMKNSEASA-N	1	0	356.466	1.993	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(C#N)cc3)C2)O1	ZINC001026916138	800173851	/nfs/dbraw/zinc/17/38/51/800173851.db2.gz	BEFVXBBTSPEFEV-ATZDWAIDSA-N	1	0	356.470	1.215	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C(C)(C)C1	ZINC000974733639	800201946	/nfs/dbraw/zinc/20/19/46/800201946.db2.gz	JFWAJGJUSNJQOQ-XQQFMLRXSA-N	1	0	350.381	1.735	20	30		FDEDRO
C=CCN1CC[C@H](N(C)CCN2CC[NH+](Cc3ccccc3)CC2)C1=O	ZINC000511805596	800242549	/nfs/dbraw/zinc/24/25/49/800242549.db2.gz	GVJPSTRRDYNQBZ-FQEVSTJZSA-N	1	0	356.514	1.523	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1occc1CC)C2	ZINC001112523604	800346739	/nfs/dbraw/zinc/34/67/39/800346739.db2.gz	CRTZPGKYCCMTPJ-JXFKEZNVSA-N	1	0	357.454	1.423	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(C)nc4)[C@@H]3C2)C1=O	ZINC001075558276	800361116	/nfs/dbraw/zinc/36/11/16/800361116.db2.gz	DRRLMZYNYZFXFE-RCCFBDPRSA-N	1	0	354.454	1.323	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)C[C@H]21	ZINC000974970081	800619451	/nfs/dbraw/zinc/61/94/51/800619451.db2.gz	AWYXIZOYSVBJLP-KFKAGJAMSA-N	1	0	368.481	1.623	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@@](C)(C=C)CC)[C@@H]3C2)CC1	ZINC000975016296	800738766	/nfs/dbraw/zinc/73/87/66/800738766.db2.gz	CMSWTAHFTQFDTA-KNKQGSTJSA-N	1	0	371.525	1.993	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3CCN(C(=O)C[N@H+]4CCC[C@H]4C)C[C@H]32)c1	ZINC000975069669	800821817	/nfs/dbraw/zinc/82/18/17/800821817.db2.gz	JWILUBPJSZNUOF-SZVBFZGTSA-N	1	0	366.465	1.220	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2noc3c2COCC3)C1	ZINC001027076748	800892506	/nfs/dbraw/zinc/89/25/06/800892506.db2.gz	STLHZJZJEDOMCH-VBQJREDUSA-N	1	0	361.442	1.277	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2c(C)nnn2CC)C1	ZINC001027116930	801013130	/nfs/dbraw/zinc/01/31/30/801013130.db2.gz	LHNBHLWEJCVYRW-RYRKJORJSA-N	1	0	361.490	1.526	20	30		FDEDRO
COc1ccc(C#N)cc1CN1CCC[C@H]1CNC(=O)[C@]12C[C@H]1COC2	ZINC001027895881	806885136	/nfs/dbraw/zinc/88/51/36/806885136.db2.gz	CAZFWEFCHMJKOS-ZWOKBUDYSA-N	1	0	355.438	1.684	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1	ZINC000975366020	801201400	/nfs/dbraw/zinc/20/14/00/801201400.db2.gz	SJHUCJAHQZEORR-JQHSSLGASA-N	1	0	363.502	1.274	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000975452033	801362999	/nfs/dbraw/zinc/36/29/99/801362999.db2.gz	VYCISHJLXMICIY-YVWKXTFCSA-N	1	0	367.493	1.977	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)c4ccoc4)C[C@@H]32)CC1	ZINC000975571417	801583121	/nfs/dbraw/zinc/58/31/21/801583121.db2.gz	FWPRYZFYETYISJ-LPHOPBHVSA-N	1	0	369.465	1.688	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]21	ZINC000975668842	801897131	/nfs/dbraw/zinc/89/71/31/801897131.db2.gz	RZZYWINPSGZGKW-XKQJLSEDSA-N	1	0	355.442	1.044	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1CC[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@H]2C1)[NH+](C)C	ZINC000975758194	802280202	/nfs/dbraw/zinc/28/02/02/802280202.db2.gz	HBXKNCJKTLZGMO-WBAXXEDZSA-N	1	0	371.485	1.536	20	30		FDEDRO
C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000661117075	802755699	/nfs/dbraw/zinc/75/56/99/802755699.db2.gz	NVLZYSRHCTWRQV-XJKSGUPXSA-N	1	0	351.472	1.997	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@H]2C1	ZINC000976024467	802884245	/nfs/dbraw/zinc/88/42/45/802884245.db2.gz	KDWRPWAAXBOFJA-VKJFTORMSA-N	1	0	369.469	1.434	20	30		FDEDRO
N#Cc1ccccc1/C=C\C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1	ZINC000893429067	802900399	/nfs/dbraw/zinc/90/03/99/802900399.db2.gz	JOULMTCHAWICCI-HJWRWDBZSA-N	1	0	366.465	1.904	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1	ZINC000661181072	802943722	/nfs/dbraw/zinc/94/37/22/802943722.db2.gz	SHEGRHYZXVFDAO-HDICACEKSA-N	1	0	367.449	1.304	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1	ZINC000661229719	803047747	/nfs/dbraw/zinc/04/77/47/803047747.db2.gz	LWWRCDKCLAPPLV-QGZVFWFLSA-N	1	0	350.507	1.976	20	30		FDEDRO
C=CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1	ZINC000661380755	803413614	/nfs/dbraw/zinc/41/36/14/803413614.db2.gz	OZGLRQMKKKQJOX-KBPBESRZSA-N	1	0	351.472	1.949	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C23CC[NH+](CC2)C3)c1	ZINC000976473219	803427566	/nfs/dbraw/zinc/42/75/66/803427566.db2.gz	KHGXYRJKYAICOV-HUUCEWRRSA-N	1	0	355.442	1.139	20	30		FDEDRO
C=CC[C@@H]1CCC[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1	ZINC000661379211	803431655	/nfs/dbraw/zinc/43/16/55/803431655.db2.gz	AIJCUQYVQJVXOV-MRXNPFEDSA-N	1	0	359.536	1.451	20	30		FDEDRO
CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1	ZINC000423059517	814948460	/nfs/dbraw/zinc/94/84/60/814948460.db2.gz	MGBUUHGWNDQCMN-GQGLESIBSA-N	1	0	358.442	1.526	20	30		FDEDRO
C=C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1	ZINC000976601153	803604557	/nfs/dbraw/zinc/60/45/57/803604557.db2.gz	QVZCLKSZFDXLJE-LQYQHUGMSA-N	1	0	367.493	1.869	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[C@H]4CC(C)C)C[C@H]32)CC1	ZINC000976657434	803679238	/nfs/dbraw/zinc/67/92/38/803679238.db2.gz	UVANDTMGTDBDBV-UEDWAMCQSA-N	1	0	371.525	1.587	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)C2)nc1	ZINC000976693821	803724492	/nfs/dbraw/zinc/72/44/92/803724492.db2.gz	AVVUASXUGNEJRA-BRWVUGGUSA-N	1	0	354.454	1.172	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1	ZINC000976695929	803768642	/nfs/dbraw/zinc/76/86/42/803768642.db2.gz	JPPAAQZUKVUEMD-XUVXKRRUSA-N	1	0	367.493	1.706	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC[C@@H]([N@H+](C)Cc3ccc(C#N)cc3)C2)C1	ZINC001027415115	803797237	/nfs/dbraw/zinc/79/72/37/803797237.db2.gz	FMJRFMZYTNWCBO-ATZDWAIDSA-N	1	0	368.481	1.896	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1	ZINC000423124893	814967435	/nfs/dbraw/zinc/96/74/35/814967435.db2.gz	MWMATMSZZVRUGK-MAUKXSAKSA-N	1	0	356.470	1.740	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1	ZINC000423134593	814978437	/nfs/dbraw/zinc/97/84/37/814978437.db2.gz	XBGRKVFTOKIINN-OAQYLSRUSA-N	1	0	368.481	1.899	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1	ZINC000423184809	814983598	/nfs/dbraw/zinc/98/35/98/814983598.db2.gz	IQQPAULVXIBHRC-IPMKNSEASA-N	1	0	366.465	1.659	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CCC(C[NH2+]C)CC1	ZINC000423169750	814987095	/nfs/dbraw/zinc/98/70/95/814987095.db2.gz	KKODIAPUAQMOSE-UHFFFAOYSA-N	1	0	359.470	1.668	20	30		FDEDRO
C=CCNC(=O)CN1CCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1	ZINC000423317090	815035191	/nfs/dbraw/zinc/03/51/91/815035191.db2.gz	YNUDMHLZGROIJO-SFHVURJKSA-N	1	0	358.486	1.159	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)C[N@H+](C)C1CCC1	ZINC000977794303	804940857	/nfs/dbraw/zinc/94/08/57/804940857.db2.gz	GPSNURZYLLPCHF-KSZLIROESA-N	1	0	363.502	1.511	20	30		FDEDRO
C=CCC1([NH2+]CC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)CCCC1	ZINC000661848178	804992734	/nfs/dbraw/zinc/99/27/34/804992734.db2.gz	BVJNKYBRSTUUTF-HNNXBMFYSA-N	1	0	358.504	1.127	20	30		FDEDRO
C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)NC[C@H](C)[NH3+]	ZINC000642907695	805079146	/nfs/dbraw/zinc/07/91/46/805079146.db2.gz	FTOBBZAONQPLQC-JTQLQIEISA-N	1	0	372.238	1.566	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1c1ccccc1	ZINC001211674467	805090145	/nfs/dbraw/zinc/09/01/45/805090145.db2.gz	DTCMVUJYQORWNA-YDZRNGNQSA-N	1	0	353.466	1.318	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1	ZINC000423349416	815051008	/nfs/dbraw/zinc/05/10/08/815051008.db2.gz	WOEWEKCPQCVWFW-ZWKOTPCHSA-N	1	0	365.518	1.936	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2cccc(C(N)=O)c2)C1	ZINC001027586256	805192913	/nfs/dbraw/zinc/19/29/13/805192913.db2.gz	YRJWUVFORZZPDF-QRVBRYPASA-N	1	0	371.481	1.799	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)nc1	ZINC000978097343	805194841	/nfs/dbraw/zinc/19/48/41/805194841.db2.gz	MWUDSEBQZZSPMP-HYVNUMGLSA-N	1	0	354.454	1.076	20	30		FDEDRO
COC(=O)[C@@](C)(C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1	ZINC000469213698	815057623	/nfs/dbraw/zinc/05/76/23/815057623.db2.gz	NJEPRSMNTWBKOB-PXNSSMCTSA-N	1	0	351.406	1.805	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3nccnc3C)C[C@H]21	ZINC000978169781	805266672	/nfs/dbraw/zinc/26/66/72/805266672.db2.gz	UGKPSSHNLDETMR-RXYDEIHYSA-N	1	0	356.470	1.560	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CNC(=O)c2cccnc2)C[C@H]1c1ccccc1	ZINC001211678138	805311991	/nfs/dbraw/zinc/31/19/91/805311991.db2.gz	DEMZFZVZWIHNFL-RBUKOAKNSA-N	1	0	364.449	1.582	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2OCCO[C@H]2C)C1	ZINC001087429811	807017035	/nfs/dbraw/zinc/01/70/35/807017035.db2.gz	DSDZXOBJOQTQPB-NBYUQASBSA-N	1	0	356.466	1.788	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1	ZINC000980576514	807076763	/nfs/dbraw/zinc/07/67/63/807076763.db2.gz	QZWJTMYOQHYGAR-ZKXLYKBJSA-N	1	0	363.502	1.461	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1	ZINC000423532123	815104840	/nfs/dbraw/zinc/10/48/40/815104840.db2.gz	USGRHACKKQCQFJ-OKYOBFRVSA-N	1	0	366.465	1.353	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1	ZINC000423534066	815106133	/nfs/dbraw/zinc/10/61/33/815106133.db2.gz	ZKKQHUZTHGYSTG-DBXWQHBBSA-N	1	0	366.465	1.497	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1	ZINC001087432731	807341418	/nfs/dbraw/zinc/34/14/18/807341418.db2.gz	FHNDSGVANXJWLS-QZTJIDSGSA-N	1	0	364.449	1.392	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@@H]3CCC[N@H+]3C)C2)c1	ZINC000981052067	807493874	/nfs/dbraw/zinc/49/38/74/807493874.db2.gz	QIMFIFMVJYMRDC-JQHSSLGASA-N	1	0	354.454	1.172	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1	ZINC000423548153	815127898	/nfs/dbraw/zinc/12/78/98/815127898.db2.gz	CAQYWHFPHHDGDC-KBXCAEBGSA-N	1	0	352.438	1.370	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2cn(CC)nn2)C1	ZINC001087433271	807566798	/nfs/dbraw/zinc/56/67/98/807566798.db2.gz	HUPQYAGCAINCQL-WOJBJXKFSA-N	1	0	365.481	1.838	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)N3CCC(C[NH3+])CC3)CC2)cc1	ZINC000423564977	815135180	/nfs/dbraw/zinc/13/51/80/815135180.db2.gz	UAUUHTRILCJCEZ-UHFFFAOYSA-N	1	0	352.438	1.371	20	30		FDEDRO
C#CCN(C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)C1CCCC1	ZINC000163051755	807815595	/nfs/dbraw/zinc/81/55/95/807815595.db2.gz	LPAGMTNHIDKXHV-UHFFFAOYSA-N	1	0	355.486	1.921	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3occc3C)C2)CC1	ZINC000981544090	808114198	/nfs/dbraw/zinc/11/41/98/808114198.db2.gz	FMIVJMNHGZIQJH-FUHWJXTLSA-N	1	0	371.481	1.948	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3cc[nH]c3)C2)CC1	ZINC000981529553	808116890	/nfs/dbraw/zinc/11/68/90/808116890.db2.gz	BYJPFZNCRCIYAE-MAUKXSAKSA-N	1	0	356.470	1.375	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1	ZINC000981540308	808126852	/nfs/dbraw/zinc/12/68/52/808126852.db2.gz	GBYUHYHSQBFOOJ-YXJHDRRASA-N	1	0	371.485	1.775	20	30		FDEDRO
C[C@@H](CN1CCOCC1)[N@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000279062446	808239799	/nfs/dbraw/zinc/23/97/99/808239799.db2.gz	ISEBCSNURBTXHN-QFBILLFUSA-N	1	0	356.470	1.706	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)CC(=O)N1CCCC1)C(C)C	ZINC000663669301	808424321	/nfs/dbraw/zinc/42/43/21/808424321.db2.gz	WHRSYIWDKPSINK-QGZVFWFLSA-N	1	0	350.507	1.949	20	30		FDEDRO
C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)C1	ZINC000423705567	815208884	/nfs/dbraw/zinc/20/88/84/815208884.db2.gz	OVCORAKOVKWIBP-JQHSSLGASA-N	1	0	354.454	1.210	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)C[N@H+]3CCC[C@H]3C)C2)cn1	ZINC000981843952	808608723	/nfs/dbraw/zinc/60/87/23/808608723.db2.gz	AXTCEZLHNHGUDG-JTDSTZFVSA-N	1	0	368.481	1.562	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)cn1	ZINC000981844719	808611179	/nfs/dbraw/zinc/61/11/79/808611179.db2.gz	XDUPYTQECLNFAP-QGTPRVQTSA-N	1	0	354.454	1.172	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc2c(c1)nnn2C	ZINC001028142308	808640609	/nfs/dbraw/zinc/64/06/09/808640609.db2.gz	IRNMUVRZDNBLIT-MDZRGWNJSA-N	1	0	369.469	1.640	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc2nonc2c1	ZINC001028147357	808697614	/nfs/dbraw/zinc/69/76/14/808697614.db2.gz	VTEATTBGMODZNH-DAYGRLMNSA-N	1	0	356.426	1.895	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)NC2CCN(CC[NH+](C)C)CC2)n1	ZINC000279294371	808728086	/nfs/dbraw/zinc/72/80/86/808728086.db2.gz	VFULFGVBCXSYCQ-UHFFFAOYSA-N	1	0	360.506	1.074	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1C	ZINC000504403042	815235528	/nfs/dbraw/zinc/23/55/28/815235528.db2.gz	HFYYULHPOWZBNI-KYJSFNMBSA-N	1	0	369.469	1.836	20	30		FDEDRO
C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1	ZINC000981949392	808841216	/nfs/dbraw/zinc/84/12/16/808841216.db2.gz	HKMPTVBSJVSQKX-MSOLQXFVSA-N	1	0	363.502	1.657	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CC)C[C@H]1c1ccccc1	ZINC001211702966	808888641	/nfs/dbraw/zinc/88/86/41/808888641.db2.gz	NGZMWBWMOCBEPO-HSALFYBXSA-N	1	0	367.493	1.995	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCOC2CCOCC2)C[C@H]1c1ccccc1	ZINC001211705213	809037177	/nfs/dbraw/zinc/03/71/77/809037177.db2.gz	DLMLOZFQNQFMCT-VQTJNVASSA-N	1	0	356.466	1.790	20	30		FDEDRO
N#Cc1ccncc1C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1	ZINC000512233086	809050240	/nfs/dbraw/zinc/05/02/40/809050240.db2.gz	GKYUGTKVHAMAQW-UHFFFAOYSA-N	1	0	363.421	1.903	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)c2cc(C#N)ccn2)CC1	ZINC000500481873	809118146	/nfs/dbraw/zinc/11/81/46/809118146.db2.gz	VWMQVTPTOAAMED-UHFFFAOYSA-N	1	0	357.458	1.310	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)CC2)c1	ZINC000418668153	809125527	/nfs/dbraw/zinc/12/55/27/809125527.db2.gz	NEUSXTJDZKUYGI-WKILWMFISA-N	1	0	356.474	1.550	20	30		FDEDRO
CC[C@@H]([NH3+])CNC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000418732222	809163771	/nfs/dbraw/zinc/16/37/71/809163771.db2.gz	QNIUBAIGCPGLQB-OAHLLOKOSA-N	1	0	352.442	1.675	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(-c4cnn(C)c4)no3)C[C@H]21	ZINC001075621222	809183722	/nfs/dbraw/zinc/18/37/22/809183722.db2.gz	SKCYBAGPISPAQN-IIYDPXPESA-N	1	0	354.414	1.267	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1c1ccccc1	ZINC001211718546	809220952	/nfs/dbraw/zinc/22/09/52/809220952.db2.gz	SPADMAYMLCNAGS-ZWKOTPCHSA-N	1	0	355.442	1.065	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCN2C(=O)CNC2=O)C[C@H]1c1ccccc1	ZINC001211720873	809273606	/nfs/dbraw/zinc/27/36/06/809273606.db2.gz	RMKMNODJNJISMC-DLBZAZTESA-N	1	0	370.453	1.089	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1	ZINC000418930364	809322147	/nfs/dbraw/zinc/32/21/47/809322147.db2.gz	BUIMNGZTRQKNCG-GOSISDBHSA-N	1	0	371.481	1.858	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+]	ZINC000418929702	809322620	/nfs/dbraw/zinc/32/26/20/809322620.db2.gz	WTOKSCBLZKICAK-DOTOQJQBSA-N	1	0	374.510	1.541	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccnc2C(N)=O)C[C@H]1c1ccccc1	ZINC001211726029	809393517	/nfs/dbraw/zinc/39/35/17/809393517.db2.gz	GXUVPVILGHQBON-ZWKOTPCHSA-N	1	0	362.433	1.402	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccnc2C(N)=O)C[C@H]1c1ccccc1	ZINC001211726221	809398919	/nfs/dbraw/zinc/39/89/19/809398919.db2.gz	QJHQYLOYMZPGTH-ZWKOTPCHSA-N	1	0	364.449	1.954	20	30		FDEDRO
C[C@H](OCC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)c1nccn1C	ZINC000512494604	809571261	/nfs/dbraw/zinc/57/12/61/809571261.db2.gz	QSWKNVAFMWMTGW-INIZCTEOSA-N	1	0	369.469	1.960	20	30		FDEDRO
O=C(NCC#Cc1cccc(C(F)(F)F)c1)C(=O)NCCC[NH2+]C1CC1	ZINC000419121796	809576544	/nfs/dbraw/zinc/57/65/44/809576544.db2.gz	VTJLTJXCWRTHQP-UHFFFAOYSA-N	1	0	367.371	1.431	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000419199221	809660297	/nfs/dbraw/zinc/66/02/97/809660297.db2.gz	DHOKEEXDCJFQHX-AUUYWEPGSA-N	1	0	362.433	1.881	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)N2CCCCC2=O)C[C@H]1c1ccccc1	ZINC001211730299	809674613	/nfs/dbraw/zinc/67/46/13/809674613.db2.gz	URGXVFXSLCBMIN-YZGWKJHDSA-N	1	0	367.493	1.995	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(C(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)[C@@H]2C1	ZINC000893957644	809834328	/nfs/dbraw/zinc/83/43/28/809834328.db2.gz	PWHYYSAURJHKKM-AQEOSJORSA-N	1	0	369.469	1.989	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NCc1ccc(NC(=O)c2ccncc2)cc1	ZINC000424159391	815320855	/nfs/dbraw/zinc/32/08/55/815320855.db2.gz	SMYUEGPWMMVIOO-QGZVFWFLSA-N	1	0	351.410	1.971	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC[N@@H+]1C	ZINC000332922036	809946490	/nfs/dbraw/zinc/94/64/90/809946490.db2.gz	CXUYUPKXHGASKB-NZSAHSFTSA-N	1	0	355.486	1.889	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1	ZINC000983254339	815336406	/nfs/dbraw/zinc/33/64/06/815336406.db2.gz	YYGYOEMFAABNCD-FRFSOERESA-N	1	0	369.425	1.087	20	30		FDEDRO
C#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CC2OCCCO2)C1	ZINC001087454381	810045424	/nfs/dbraw/zinc/04/54/24/810045424.db2.gz	REDBVNQCZHURTP-QZTJIDSGSA-N	1	0	360.429	1.886	20	30		FDEDRO
C=CCc1cc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc(OC)c1OC	ZINC000424239920	815338389	/nfs/dbraw/zinc/33/83/89/815338389.db2.gz	OQZXUHSJWCQIAP-DLBZAZTESA-N	1	0	370.453	1.733	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000645153518	810152971	/nfs/dbraw/zinc/15/29/71/810152971.db2.gz	CNCDMBRMXZBNQB-FUHIMQAGSA-N	1	0	373.497	1.869	20	30		FDEDRO
C#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1	ZINC001087456912	810157963	/nfs/dbraw/zinc/15/79/63/810157963.db2.gz	XPKUTOPFGRRMQT-IAGOWNOFSA-N	1	0	368.412	1.141	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CN(CC#N)CC[C@@H]2c2cccc(F)c2)C1	ZINC001087458243	810254950	/nfs/dbraw/zinc/25/49/50/810254950.db2.gz	RJSXAPHPZHFVOJ-KFKAGJAMSA-N	1	0	358.461	1.965	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[N@@H+](CC)CC2)cc1	ZINC000429912735	810375482	/nfs/dbraw/zinc/37/54/82/810375482.db2.gz	BIFXEMHGROKHAX-UHFFFAOYSA-N	1	0	373.457	1.487	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cncc(C)c4)[C@@H]3C2)C1=O	ZINC001075646185	810430534	/nfs/dbraw/zinc/43/05/34/810430534.db2.gz	KHDHPPKUEGQWRH-RYQLBKOJSA-N	1	0	354.454	1.323	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccnc(OC)n2)C1	ZINC001028549049	810617030	/nfs/dbraw/zinc/61/70/30/810617030.db2.gz	KZRWHSQWFSQSHM-OIISXLGYSA-N	1	0	360.458	1.405	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000982665170	810705318	/nfs/dbraw/zinc/70/53/18/810705318.db2.gz	NFTUWAJFMSAAOH-XOKHGSTOSA-N	1	0	357.458	1.195	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)C1=O	ZINC001167928081	810771606	/nfs/dbraw/zinc/77/16/06/810771606.db2.gz	YXJHMZVKJBIPQW-OTWHNJEPSA-N	1	0	371.481	1.682	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N	ZINC000894186029	810852915	/nfs/dbraw/zinc/85/29/15/810852915.db2.gz	SRTFQODNLFPACV-RBSFLKMASA-N	1	0	365.478	1.529	20	30		FDEDRO
C[NH+]1CCC(CNc2cc(C#N)sc2[N+](=O)[O-])(N2CCOCC2)CC1	ZINC000894186856	810859366	/nfs/dbraw/zinc/85/93/66/810859366.db2.gz	WAEBQXKUUPJKDR-UHFFFAOYSA-N	1	0	365.459	1.736	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1	ZINC001087463038	810879422	/nfs/dbraw/zinc/87/94/22/810879422.db2.gz	NMIBQWMMVAFVDM-CGTJXYLNSA-N	1	0	359.445	1.812	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C1CCN(C(=O)c2cccnc2)CC1	ZINC000729343503	811161205	/nfs/dbraw/zinc/16/12/05/811161205.db2.gz	VRRVCDQCHIVKPZ-UHFFFAOYSA-N	1	0	371.485	1.628	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C2CN(C(C)=O)C2)C1	ZINC001087464034	811194782	/nfs/dbraw/zinc/19/47/82/811194782.db2.gz	PHIOYTYFNYOXSX-RTBURBONSA-N	1	0	359.445	1.764	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2COCCN2C)C1	ZINC001087464125	811196736	/nfs/dbraw/zinc/19/67/36/811196736.db2.gz	VHBCSSJBMJRJAO-QRVBRYPASA-N	1	0	361.461	1.616	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)nn1	ZINC000424735364	815428978	/nfs/dbraw/zinc/42/89/78/815428978.db2.gz	IWWOLNGYZJVPKP-QZTJIDSGSA-N	1	0	369.469	1.467	20	30		FDEDRO
CC[NH+]=C(NCc1nccn1C(F)F)N1CCO[C@@H](c2cnn(C)c2)C1	ZINC000261718584	811304221	/nfs/dbraw/zinc/30/42/21/811304221.db2.gz	IECSQYZOIYBZRQ-CYBMUJFWSA-N	1	0	367.404	1.551	20	30		FDEDRO
C[NH+]=C(NCc1cccnc1N1CCN(C)CC1)N(C)Cc1ccon1	ZINC000261749831	811310648	/nfs/dbraw/zinc/31/06/48/811310648.db2.gz	LRZXJQXHGAOONV-UHFFFAOYSA-N	1	0	357.462	1.029	20	30		FDEDRO
CC[NH+]=C(NCc1cc2c(cc1OC)C[C@@H](C)O2)N[C@H]1CCC(=O)N(C)C1	ZINC000261916307	811343599	/nfs/dbraw/zinc/34/35/99/811343599.db2.gz	YXBABCXTWWRYLR-CJNGLKHVSA-N	1	0	374.485	1.695	20	30		FDEDRO
CC[NH+]=C(NCc1cc2c(cc1OC)C[C@@H](C)O2)N[C@@H]1CCC(=O)N(C)C1	ZINC000261916310	811343677	/nfs/dbraw/zinc/34/36/77/811343677.db2.gz	YXBABCXTWWRYLR-CZUORRHYSA-N	1	0	374.485	1.695	20	30		FDEDRO
C[NH+]=C(NCc1nnc(C)n1C)N[C@H]1CCCN(c2ccc(F)cc2C)C1	ZINC000261961329	811354545	/nfs/dbraw/zinc/35/45/45/811354545.db2.gz	KHEASFIFVQSGGN-INIZCTEOSA-N	1	0	373.480	1.905	20	30		FDEDRO
[NH2+]=C(NCc1cc(-c2ccccc2)no1)N1CCN(c2ncccn2)CC1	ZINC000262005496	811365378	/nfs/dbraw/zinc/36/53/78/811365378.db2.gz	RHMIRPVAPQJZKF-UHFFFAOYSA-N	1	0	363.425	1.769	20	30		FDEDRO
C[NH+]=C(NCc1cn2ccccc2n1)N1CC[C@H](Oc2ccccn2)C1	ZINC000262004654	811365532	/nfs/dbraw/zinc/36/55/32/811365532.db2.gz	VIUQIGXXVSGALP-INIZCTEOSA-N	1	0	350.426	1.958	20	30		FDEDRO
N#CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1	ZINC001087464746	811387888	/nfs/dbraw/zinc/38/78/88/811387888.db2.gz	AGLHDSKALIPLFZ-HSALFYBXSA-N	1	0	370.472	1.965	20	30		FDEDRO
COC(=O)[C@@H]1[C@@H](C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C1(F)F	ZINC000894222551	811392311	/nfs/dbraw/zinc/39/23/11/811392311.db2.gz	VDKUNIPKEWFXAY-HIFRSBDPSA-N	1	0	350.369	1.566	20	30		FDEDRO
Cc1nc2ccccc2n1CCNC(=[NH2+])N1CCN(c2ncccn2)CC1	ZINC000262211736	811413801	/nfs/dbraw/zinc/41/38/01/811413801.db2.gz	FAFYBXWPDJJXIC-UHFFFAOYSA-N	1	0	364.457	1.272	20	30		FDEDRO
COc1ccc(OC)c(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)c1	ZINC000262241379	811421425	/nfs/dbraw/zinc/42/14/25/811421425.db2.gz	HTRMEKITQJFNCS-UHFFFAOYSA-N	1	0	356.430	1.131	20	30		FDEDRO
Cc1ccnc(OC2CCN(C(NCC(=O)N(C)C)=[NH+]C3CC3)CC2)c1	ZINC000262339248	811445537	/nfs/dbraw/zinc/44/55/37/811445537.db2.gz	WQULTEYZQFSVCW-UHFFFAOYSA-N	1	0	359.474	1.429	20	30		FDEDRO
Cc1ccc2c(c1)nc(CNC(=[NH2+])N1CCN(c3ncccn3)CC1)n2C	ZINC000262341818	811446762	/nfs/dbraw/zinc/44/67/62/811446762.db2.gz	CSGULEZFCQHSMQ-UHFFFAOYSA-N	1	0	364.457	1.309	20	30		FDEDRO
C[NH+]=C(NCC(=O)N1CCc2ccccc2C1)NC[C@@H](O)c1ccc(C)o1	ZINC000262359041	811450142	/nfs/dbraw/zinc/45/01/42/811450142.db2.gz	IIJSYIBXJZQGFM-QGZVFWFLSA-N	1	0	370.453	1.371	20	30		FDEDRO
C[NH+]=C(NCc1ccc(-n2nc(C)cc2C)nc1)N1CC[C@H](COC)C1	ZINC000262429490	811466383	/nfs/dbraw/zinc/46/63/83/811466383.db2.gz	DOROKJPPDGUEJA-KRWDZBQOSA-N	1	0	356.474	1.928	20	30		FDEDRO
C[NH+]=C(NC[C@H](O)c1ccc(Cl)cc1)N1CCN(c2ncccn2)CC1	ZINC000262567697	811495529	/nfs/dbraw/zinc/49/55/29/811495529.db2.gz	MBXVKEOUBMEWGE-INIZCTEOSA-N	1	0	374.876	1.561	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCN(C5CCC5)C4=O)C[C@H]32)[nH]1	ZINC001075700406	815454778	/nfs/dbraw/zinc/45/47/78/815454778.db2.gz	OZXCJTPWHARSMZ-DOPJRALCSA-N	1	0	367.453	1.186	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)C1CCN(c2oc(C)nc2C#N)CC1	ZINC000280212523	811741090	/nfs/dbraw/zinc/74/10/90/811741090.db2.gz	IJIFJGUROPLSHC-UHFFFAOYSA-N	1	0	363.462	1.156	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1	ZINC000982870056	811763260	/nfs/dbraw/zinc/76/32/60/811763260.db2.gz	GJEGJYPFYZZOKN-ZACQAIPSSA-N	1	0	363.502	1.417	20	30		FDEDRO
CNC(=O)CC1CCN(C(NCc2ccn(-c3ccccc3)n2)=[NH+]C)CC1	ZINC000261807303	811886214	/nfs/dbraw/zinc/88/62/14/811886214.db2.gz	SDBVAUQNYUTKEQ-UHFFFAOYSA-N	1	0	368.485	1.796	20	30		FDEDRO
CC[NH2+]CC1CCN(C(=O)C(=O)N[C@H](CCC#N)c2ccccc2)CC1	ZINC000419471439	811966058	/nfs/dbraw/zinc/96/60/58/811966058.db2.gz	HCSDXUXSJAOBBX-GOSISDBHSA-N	1	0	356.470	1.996	20	30		FDEDRO
CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](CCC#N)c2ccccc2)[C@H](C[NH3+])C1	ZINC000419472002	811967395	/nfs/dbraw/zinc/96/73/95/811967395.db2.gz	INAYYIBMXAVISJ-BBWFWOEESA-N	1	0	358.442	1.112	20	30		FDEDRO
N#CC1(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CCC1	ZINC000419623399	812045919	/nfs/dbraw/zinc/04/59/19/812045919.db2.gz	IJKADTNWFJUPGS-MSOLQXFVSA-N	1	0	356.470	1.862	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC1([NH3+])CCCCC1	ZINC000419803033	812198468	/nfs/dbraw/zinc/19/84/68/812198468.db2.gz	MIJAYCZGCYSIAW-UHFFFAOYSA-N	1	0	372.469	1.311	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NC1CCC([NH3+])CC1	ZINC000419868698	812265436	/nfs/dbraw/zinc/26/54/36/812265436.db2.gz	IVNQNNDEUJSPDL-UHFFFAOYSA-N	1	0	360.414	1.496	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1	ZINC000419939323	812306964	/nfs/dbraw/zinc/30/69/64/812306964.db2.gz	QWNPXBITHAVRCN-OAHLLOKOSA-N	1	0	360.414	1.368	20	30		FDEDRO
CC(C)[N@H+](C)CCNC(=O)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000514003000	815569629	/nfs/dbraw/zinc/56/96/29/815569629.db2.gz	FFJZQWOJDISRIS-KUHUBIRLSA-N	1	0	355.442	1.382	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1	ZINC000420001068	813392243	/nfs/dbraw/zinc/39/22/43/813392243.db2.gz	PEDCDAVTNYUWKV-INIZCTEOSA-N	1	0	359.470	1.716	20	30		FDEDRO
N#CC1CCN(C(=O)C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC1	ZINC000420045634	813423575	/nfs/dbraw/zinc/42/35/75/813423575.db2.gz	AVWKGILSPWKNDX-SFHVURJKSA-N	1	0	350.422	1.718	20	30		FDEDRO
C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N(C)Cc2cccc(C#N)c2)cc1	ZINC000420134071	813473270	/nfs/dbraw/zinc/47/32/70/813473270.db2.gz	TYCIUJCOIHMHSU-AWEZNQCLSA-N	1	0	350.422	1.853	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@H]1CCC[NH2+][C@@H]1C	ZINC000420144497	813505210	/nfs/dbraw/zinc/50/52/10/813505210.db2.gz	LMIGQXHGLWYPTE-CJNGLKHVSA-N	1	0	360.414	1.366	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)CC2)cc1	ZINC000420205510	813536969	/nfs/dbraw/zinc/53/69/69/813536969.db2.gz	PITBJWWESIHJTD-HZPDHXFCSA-N	1	0	370.453	1.172	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1	ZINC000420189799	813541327	/nfs/dbraw/zinc/54/13/27/813541327.db2.gz	OQFWWQLHVDWCPF-HPBDAGMYSA-N	1	0	354.454	1.528	20	30		FDEDRO
C[NH+]=C(NCC1(C2CC2)CCC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1	ZINC000261817835	813563656	/nfs/dbraw/zinc/56/36/56/813563656.db2.gz	UCIQEZUQCSNQOD-GOSISDBHSA-N	1	0	361.490	1.452	20	30		FDEDRO
CCC[C@@H]1CN(CC(=O)NCc2cccc(C#N)c2)CC[N@@H+]1CCOC	ZINC000501791415	813665736	/nfs/dbraw/zinc/66/57/36/813665736.db2.gz	PWRQXMCQFKJFIX-LJQANCHMSA-N	1	0	358.486	1.607	20	30		FDEDRO
CNC(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1	ZINC000420967449	813889575	/nfs/dbraw/zinc/88/95/75/813889575.db2.gz	AACRDZRQZNWVAU-GJZGRUSLSA-N	1	0	358.442	1.398	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+]C3CCN(CC(=O)N4CCCC4)CC3)n2c1	ZINC000367047094	814266154	/nfs/dbraw/zinc/26/61/54/814266154.db2.gz	DSUNLZLPRYBZRW-UHFFFAOYSA-N	1	0	366.469	1.382	20	30		FDEDRO
Cc1cc(NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)nn1CCC#N	ZINC000272024611	814548052	/nfs/dbraw/zinc/54/80/52/814548052.db2.gz	CRNUKPXIOLDQKP-UHFFFAOYSA-N	1	0	361.494	1.595	20	30		FDEDRO
C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)NCCCC#N)cc2)CC1	ZINC000273138512	814788673	/nfs/dbraw/zinc/78/86/73/814788673.db2.gz	SKTLLXJMFXTEIF-UHFFFAOYSA-N	1	0	357.458	1.575	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCCC#N)c(C)c2)CC1	ZINC000273151461	814789051	/nfs/dbraw/zinc/78/90/51/814789051.db2.gz	WVLCWQWZPIJVKX-UHFFFAOYSA-N	1	0	357.458	1.495	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)[C@H](OCC)C1	ZINC000983132704	814800796	/nfs/dbraw/zinc/80/07/96/814800796.db2.gz	KZXSSXKKCZIGTL-BZUAXINKSA-N	1	0	351.491	1.273	20	30		FDEDRO
CC(C)(CC#N)CNC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1	ZINC000422369165	814812671	/nfs/dbraw/zinc/81/26/71/814812671.db2.gz	QSSKFXRTWKRNPG-UHFFFAOYSA-N	1	0	357.458	1.470	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1	ZINC000983184590	814857029	/nfs/dbraw/zinc/85/70/29/814857029.db2.gz	KNOQFDQDESRJAK-KURKYZTESA-N	1	0	363.502	1.274	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1	ZINC001028800446	815671437	/nfs/dbraw/zinc/67/14/37/815671437.db2.gz	VAHPFXVLROXMNF-FGTMMUONSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(Cc2cn(CC3CC3)nn2)C1	ZINC001028808953	815788018	/nfs/dbraw/zinc/78/80/18/815788018.db2.gz	IMJCBDJGJIGCJO-NXHRZFHOSA-N	1	0	359.474	1.217	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccc(C(C)(C)C#N)cc3)CC2)C1=O	ZINC000425316073	815978758	/nfs/dbraw/zinc/97/87/58/815978758.db2.gz	XOTKBPUJZMUZGO-SFHVURJKSA-N	1	0	368.481	1.913	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)cc1	ZINC000514848049	816012232	/nfs/dbraw/zinc/01/22/32/816012232.db2.gz	JJQJPIDUFNIQRS-OAHLLOKOSA-N	1	0	351.410	1.970	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCC[N@H+](C)CC1	ZINC000514849795	816012454	/nfs/dbraw/zinc/01/24/54/816012454.db2.gz	SNJBFKOPANWFAE-UHFFFAOYSA-N	1	0	361.490	1.589	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccnn2C)C1	ZINC001028856000	816248558	/nfs/dbraw/zinc/24/85/58/816248558.db2.gz	UHMTWRXWJVLJLZ-WDSOQIARSA-N	1	0	360.502	1.772	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001028857544	816254377	/nfs/dbraw/zinc/25/43/77/816254377.db2.gz	XWTJJSAMBSXAPF-HHXXYDBFSA-N	1	0	354.454	1.062	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000425425304	816259154	/nfs/dbraw/zinc/25/91/54/816259154.db2.gz	QPGGQHCCRVWLSI-PMACEKPBSA-N	1	0	372.513	1.695	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1	ZINC000515511088	816298363	/nfs/dbraw/zinc/29/83/63/816298363.db2.gz	WNVLPNFELMWEOU-MOPGFXCFSA-N	1	0	358.486	1.577	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1	ZINC000515838464	816469199	/nfs/dbraw/zinc/46/91/99/816469199.db2.gz	XSIAZYUBWFUNPW-GOSISDBHSA-N	1	0	369.469	1.933	20	30		FDEDRO
C=CCn1cc(CNC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)nn1	ZINC000425562418	816547936	/nfs/dbraw/zinc/54/79/36/816547936.db2.gz	GDGFEVMBLYUJMS-UHFFFAOYSA-N	1	0	362.478	1.251	20	30		FDEDRO
CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000516171267	816676868	/nfs/dbraw/zinc/67/68/68/816676868.db2.gz	AJKQTAXVOUUJKK-YJBOKZPZSA-N	1	0	371.485	1.687	20	30		FDEDRO
C=CCn1cc(CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)nn1	ZINC000425650050	816787679	/nfs/dbraw/zinc/78/76/79/816787679.db2.gz	WYMSHEBGYFUSTI-UHFFFAOYSA-N	1	0	362.478	1.298	20	30		FDEDRO
C=CCn1cc(CNC(=O)Nc2ccc(OCC[NH+](C)C)c(OC)c2)nn1	ZINC000425685240	816851756	/nfs/dbraw/zinc/85/17/56/816851756.db2.gz	ZDBQINMYPSZGAB-UHFFFAOYSA-N	1	0	374.445	1.735	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1	ZINC000437023568	816860797	/nfs/dbraw/zinc/86/07/97/816860797.db2.gz	IQSTXRGHQCLXBK-FUHWJXTLSA-N	1	0	359.470	1.827	20	30		FDEDRO
CN(CCC#N)C[C@H](O)CNc1cccc(N2CC[NH+](CC3CC3)CC2)c1	ZINC000516762943	816995875	/nfs/dbraw/zinc/99/58/75/816995875.db2.gz	ZONCTFOARJWYHN-OAQYLSRUSA-N	1	0	371.529	1.837	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(C#N)n2)C[N@@H+]1Cc1ccccc1	ZINC000516969408	817136360	/nfs/dbraw/zinc/13/63/60/817136360.db2.gz	CUUXXTKQJOCSHG-PBHICJAKSA-N	1	0	363.421	1.671	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)CC(C)(C)O)[C@@H]3C2)cc1C#N	ZINC001075742192	817140664	/nfs/dbraw/zinc/14/06/64/817140664.db2.gz	MXQUMOVOSAIBSL-DOTOQJQBSA-N	1	0	357.454	1.761	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000516992865	817157318	/nfs/dbraw/zinc/15/73/18/817157318.db2.gz	MAPMGMXIPHVLOM-MSOLQXFVSA-N	1	0	365.518	1.685	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1	ZINC000425871180	817272475	/nfs/dbraw/zinc/27/24/75/817272475.db2.gz	MNGQNDNHOFBLAU-OALUTQOASA-N	1	0	371.481	1.606	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1	ZINC000425886879	817317856	/nfs/dbraw/zinc/31/78/56/817317856.db2.gz	NFPUTUSZHBVVAK-YOEHRIQHSA-N	1	0	363.433	1.211	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCN(C)C2=O)C1	ZINC001087466771	817377031	/nfs/dbraw/zinc/37/70/31/817377031.db2.gz	KIDUGFYWDMSTIP-GUDVDZBRSA-N	1	0	371.456	1.601	20	30		FDEDRO
C[C@@H]1CN(Cc2cnc3c(C#N)cnn3c2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000517936918	817641459	/nfs/dbraw/zinc/64/14/59/817641459.db2.gz	BTZIVLVGZAWWEY-CRAIPNDOSA-N	1	0	353.474	1.059	20	30		FDEDRO
C[NH+]=C(NCCNC(=O)c1ccc(OC)cc1)N1CC[C@]2(CCOC2)C1	ZINC000261970653	817870249	/nfs/dbraw/zinc/87/02/49/817870249.db2.gz	MRKFOZSDOLRGJZ-IBGZPJMESA-N	1	0	360.458	1.113	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)Cc2nc[nH]n2)C1	ZINC001087471036	818034040	/nfs/dbraw/zinc/03/40/40/818034040.db2.gz	JPBZJRKCAGZELU-ROUUACIJSA-N	1	0	369.469	1.906	20	30		FDEDRO
C[C@]1(C#N)CN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCO1	ZINC000894437330	818054753	/nfs/dbraw/zinc/05/47/53/818054753.db2.gz	NNJTVBFJUOIXRD-QUCCMNQESA-N	1	0	372.469	1.602	20	30		FDEDRO
C[NH+]=C(NC[C@@H](O)c1ccccc1F)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000262038145	818137399	/nfs/dbraw/zinc/13/73/99/818137399.db2.gz	XXPXPFWDBXOUNH-MRXNPFEDSA-N	1	0	364.465	1.766	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2nnn(C)n2)C1	ZINC001087475573	818326046	/nfs/dbraw/zinc/32/60/46/818326046.db2.gz	QDPWFEHQFGANRD-IRXDYDNUSA-N	1	0	370.457	1.383	20	30		FDEDRO
C#CCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@]2(C)CCNC2=O)C1	ZINC001087475789	818332151	/nfs/dbraw/zinc/33/21/51/818332151.db2.gz	BYBMTNLGKYZOBT-WFXMLNOXSA-N	1	0	369.465	1.129	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)Cn2ccnc2)C1	ZINC001087476861	818392957	/nfs/dbraw/zinc/39/29/57/818392957.db2.gz	JVSSAWIPCYJJFY-PMACEKPBSA-N	1	0	366.465	1.889	20	30		FDEDRO
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C	ZINC000664883455	818899765	/nfs/dbraw/zinc/89/97/65/818899765.db2.gz	FOGIBIRHOZTVQT-HMFIYZBKSA-N	1	0	360.502	1.963	20	30		FDEDRO
C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](C)CC(=C)C)C[C@H]1C(F)(F)F	ZINC001112149754	818912378	/nfs/dbraw/zinc/91/23/78/818912378.db2.gz	QNIHLMWVJDRDMD-MGPQQGTHSA-N	1	0	359.392	1.317	20	30		FDEDRO
C[C@H]([NH2+]Cc1cccc(C#N)c1)C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1	ZINC001029145150	818931358	/nfs/dbraw/zinc/93/13/58/818931358.db2.gz	SBRIPVABKRXNCU-VHSSKADRSA-N	1	0	354.454	1.396	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@H](C)[NH2+]Cc2nnc(C)[nH]2)CC1	ZINC001029155952	818952863	/nfs/dbraw/zinc/95/28/63/818952863.db2.gz	JPDDWGDITLLANN-OWQGQXMQSA-N	1	0	361.490	1.811	20	30		FDEDRO
C[C@@]1(CNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)CCC[NH2+]C1	ZINC000415576645	819052492	/nfs/dbraw/zinc/05/24/92/819052492.db2.gz	WODHHYSHCIFHFH-LJQANCHMSA-N	1	0	358.442	1.814	20	30		FDEDRO
COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000520168482	819234444	/nfs/dbraw/zinc/23/44/44/819234444.db2.gz	AMKSMOAJFOWQNF-MAUKXSAKSA-N	1	0	372.469	1.038	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C(=O)NC3(C#N)CC[NH+](C)CC3)cn2)C[C@H](C)O1	ZINC000520246414	819275030	/nfs/dbraw/zinc/27/50/30/819275030.db2.gz	HEYNITOAGRPRIY-GASCZTMLSA-N	1	0	357.458	1.413	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](N2CCOCC2)C1	ZINC000520425463	819347633	/nfs/dbraw/zinc/34/76/33/819347633.db2.gz	WZUQLQPZSYVSGF-UXHICEINSA-N	1	0	360.498	1.951	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]CCCO[C@H]1CCOC1	ZINC001167992508	819427547	/nfs/dbraw/zinc/42/75/47/819427547.db2.gz	YRYZQRXNTILHBN-BZSNNMDCSA-N	1	0	354.491	1.649	20	30		FDEDRO
Cc1cn2c(n1)[C@H](CNC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)CCC2	ZINC000328658191	819524382	/nfs/dbraw/zinc/52/43/82/819524382.db2.gz	QPPHLDHOAJFHPY-DLBZAZTESA-N	1	0	363.506	1.929	20	30		FDEDRO
N#Cc1ccc([C@H]2CN(C(=O)NCC[N@@H+]3CCCOCC3)CCO2)cc1	ZINC000895047415	819529700	/nfs/dbraw/zinc/52/97/00/819529700.db2.gz	VCXFMNWCSPUHJA-GOSISDBHSA-N	1	0	358.442	1.363	20	30		FDEDRO
CNC(=O)NC1CN(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1	ZINC000328724084	819532315	/nfs/dbraw/zinc/53/23/15/819532315.db2.gz	YIMPDWYHKIUTMO-IBGZPJMESA-N	1	0	359.474	1.773	20	30		FDEDRO
Cn1cc2c(n1)CCC[C@@H]2NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000328710116	819539546	/nfs/dbraw/zinc/53/95/46/819539546.db2.gz	GAKLAWGZJIITTH-RDJZCZTQSA-N	1	0	361.490	1.756	20	30		FDEDRO
C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCOC[C@@H]1c1ncnn1C	ZINC000328845313	819563979	/nfs/dbraw/zinc/56/39/79/819563979.db2.gz	AEUJUOQVCICLLH-XUWVNRHRSA-N	1	0	364.494	1.469	20	30		FDEDRO
C[NH+]1CCC(Oc2ccc(CNC(=O)NC[C@H]3COCCO3)cc2)CC1	ZINC000328901782	819571581	/nfs/dbraw/zinc/57/15/81/819571581.db2.gz	ZNFMBIMFFPINPS-SFHVURJKSA-N	1	0	363.458	1.579	20	30		FDEDRO
C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCOC[C@H]2c2ncnn2C)C1	ZINC000328875180	819575358	/nfs/dbraw/zinc/57/53/58/819575358.db2.gz	JQYKZBCKTVRHTF-CABCVRRESA-N	1	0	364.494	1.613	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCc4n[nH]nc4C3)cn2)CC1	ZINC000328969842	819602142	/nfs/dbraw/zinc/60/21/42/819602142.db2.gz	UOJAZDKCCMWXAS-OAHLLOKOSA-N	1	0	369.473	1.603	20	30		FDEDRO
CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1COCCN1C	ZINC000328974442	819603112	/nfs/dbraw/zinc/60/31/12/819603112.db2.gz	POZPFTAJKWQCGQ-KRWDZBQOSA-N	1	0	362.474	1.756	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C1=O	ZINC000520446054	819681386	/nfs/dbraw/zinc/68/13/86/819681386.db2.gz	OUVXFECEAITFSN-ZWKOTPCHSA-N	1	0	356.470	1.539	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCSC2(CC(C(=O)OC)C2)C1	ZINC000895058014	819721747	/nfs/dbraw/zinc/72/17/47/819721747.db2.gz	YJNDYPRILDSZCE-CSLYMUCUSA-N	1	0	367.515	1.458	20	30		FDEDRO
Cc1cc(C)c(C[N@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)c(C)c1	ZINC001083413664	820013386	/nfs/dbraw/zinc/01/33/86/820013386.db2.gz	ZCBJYOAPSKCAIS-MOPGFXCFSA-N	1	0	352.438	1.787	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cncnc3C)[C@H]2CC)C1=O	ZINC001087511698	820207815	/nfs/dbraw/zinc/20/78/15/820207815.db2.gz	BVTAYDKGRXPSSX-GVDBMIGSSA-N	1	0	357.458	1.155	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1	ZINC000520771093	820666890	/nfs/dbraw/zinc/66/68/90/820666890.db2.gz	PKTZQVRRUIAGMP-ROUUACIJSA-N	1	0	369.469	1.348	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1Cc1cncc(OC)n1	ZINC001087535406	820928731	/nfs/dbraw/zinc/92/87/31/820928731.db2.gz	IKWHPAFLCHTTDE-GOEBONIOSA-N	1	0	354.414	1.468	20	30		FDEDRO
Cc1c(CC(=O)NC2(C#N)CC[NH+](C)CC2)nnn1-c1ccc(C)cc1	ZINC000520992132	821033233	/nfs/dbraw/zinc/03/32/33/821033233.db2.gz	XKTCXLVERZSIPO-UHFFFAOYSA-N	1	0	352.442	1.531	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC)c(NC(C)=O)c2)CC1	ZINC000442267915	821107036	/nfs/dbraw/zinc/10/70/36/821107036.db2.gz	NGCWMUDRRFABHV-UHFFFAOYSA-N	1	0	374.441	1.359	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@@H]2COC(=O)C2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087542608	821168474	/nfs/dbraw/zinc/16/84/74/821168474.db2.gz	VOKDZLSYAMFMBH-OKZBNKHCSA-N	1	0	355.438	1.981	20	30		FDEDRO
O=C(c1ccccc1Cl)N1CCC([NH2+][C@@H]2CCCN(O)C2=O)CC1	ZINC000895161898	821233445	/nfs/dbraw/zinc/23/34/45/821233445.db2.gz	IJKICCSVGMJLLK-OAHLLOKOSA-N	1	0	351.834	1.914	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN([C@H](C(=O)OC(C)(C)C)C(C)C)C1=O	ZINC000442781140	821287900	/nfs/dbraw/zinc/28/79/00/821287900.db2.gz	HVPNYRXSKXEABL-KKUMJFAQSA-N	1	0	367.490	1.234	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1O	ZINC000443047660	821349897	/nfs/dbraw/zinc/34/98/97/821349897.db2.gz	INOMEICISDQBNQ-RBUKOAKNSA-N	1	0	365.433	1.877	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cnn(C)c2N)CCN1CC#Cc1ccccc1	ZINC001087550537	821362188	/nfs/dbraw/zinc/36/21/88/821362188.db2.gz	FODMSGWPKCRDBJ-ZWKOTPCHSA-N	1	0	351.454	1.637	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](CCN2CCCC2=O)[C@@H]1CC	ZINC001087602877	821694193	/nfs/dbraw/zinc/69/41/93/821694193.db2.gz	LOJGSZGCDNZJTO-DLBZAZTESA-N	1	0	358.486	1.879	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)[C@@H]1CC	ZINC001087603043	821696126	/nfs/dbraw/zinc/69/61/26/821696126.db2.gz	UZCZTUXBGUOXPM-JKSUJKDBSA-N	1	0	359.474	1.282	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2)[C@@H]1CC	ZINC001087607001	821713339	/nfs/dbraw/zinc/71/33/39/821713339.db2.gz	FFSXCZKBQPPSQE-JSXRDJHFSA-N	1	0	369.509	1.787	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3cnccc3C)[C@H]2CC)C1=O	ZINC001087608374	821721836	/nfs/dbraw/zinc/72/18/36/821721836.db2.gz	FZHRBUMKTWVEQK-OTWHNJEPSA-N	1	0	370.497	1.689	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)cn2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087663227	821957463	/nfs/dbraw/zinc/95/74/63/821957463.db2.gz	AGKPGOHGALGRIM-FUHWJXTLSA-N	1	0	365.437	1.435	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1	ZINC000984258308	821987009	/nfs/dbraw/zinc/98/70/09/821987009.db2.gz	XRYUTOKLNNXACQ-AOIWGVFYSA-N	1	0	363.502	1.513	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2[nH]nnc2C)CC[N@@H+]1Cc1ccc(OC)c(C#N)c1	ZINC001087682679	822017202	/nfs/dbraw/zinc/01/72/02/822017202.db2.gz	LIMZUZZSKPDION-JKSUJKDBSA-N	1	0	368.441	1.776	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087724565	822201928	/nfs/dbraw/zinc/20/19/28/822201928.db2.gz	WTUQHISGZYYPNJ-XWTMOSNGSA-N	1	0	370.453	1.060	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cncnc3CC)[C@H]2CC)C1=O	ZINC001087831872	822528641	/nfs/dbraw/zinc/52/86/41/822528641.db2.gz	KEEBRPXXCWODDG-RCCFBDPRSA-N	1	0	371.485	1.409	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H](C)C(=O)N2Cc3ccccc3C2)CC1	ZINC000474325219	822714539	/nfs/dbraw/zinc/71/45/39/822714539.db2.gz	DUCPOZVNAFZNRT-OAHLLOKOSA-N	1	0	356.470	1.867	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4occc4C)C[C@@H]3C2)C1=O	ZINC001087886193	822717077	/nfs/dbraw/zinc/71/70/77/822717077.db2.gz	ZVMYERRNIATOBU-IXDOHACOSA-N	1	0	357.454	1.769	20	30		FDEDRO
Cc1c(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cnn1CCC#N	ZINC000895763392	822733978	/nfs/dbraw/zinc/73/39/78/822733978.db2.gz	HVUXPGFHLNCKOG-UHFFFAOYSA-N	1	0	352.442	1.895	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+][C@H]3C(=O)NCC34CCOCC4)CC2)cc1	ZINC000895770932	822736147	/nfs/dbraw/zinc/73/61/47/822736147.db2.gz	YWCZKPFDIGLAPP-SFHVURJKSA-N	1	0	354.454	1.412	20	30		FDEDRO
C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@@H](C)n3nnnc3C(C)(C)C)[C@@H]2C1	ZINC001075869277	828532691	/nfs/dbraw/zinc/53/26/91/828532691.db2.gz	KKRNUKDAEKRNMR-HZSPNIEDSA-N	1	0	366.897	1.817	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc4oc(=O)n(C)c4c3)CC[C@@H]2C1	ZINC001087909167	823754201	/nfs/dbraw/zinc/75/42/01/823754201.db2.gz	AYTRRAFCDGHJKT-BMFZPTHFSA-N	1	0	368.437	1.571	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ocnc4C)C[C@@H]3C2)C1=O	ZINC001087922508	823919094	/nfs/dbraw/zinc/91/90/94/823919094.db2.gz	NMQUYZNQDDHQCI-OWCLPIDISA-N	1	0	358.442	1.164	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[N@H+](CCO[C@H]4CC4(F)F)CC[C@@H]3C2)c1	ZINC001087925491	823937585	/nfs/dbraw/zinc/93/75/85/823937585.db2.gz	PEAMIUJNVWNXHC-YCPHGPKFSA-N	1	0	364.396	1.704	20	30		FDEDRO
Cn1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]3C2)cc1=O	ZINC001087938989	824018579	/nfs/dbraw/zinc/01/85/79/824018579.db2.gz	VCAVWDWTSIPTSD-CVEARBPZSA-N	1	0	365.437	1.179	20	30		FDEDRO
COc1ccnc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]3C2)c1	ZINC001087940533	824037059	/nfs/dbraw/zinc/03/70/59/824037059.db2.gz	MWMCAICXPVZABL-ZBFHGGJFSA-N	1	0	365.437	1.884	20	30		FDEDRO
COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]3C2)cn1	ZINC001087940815	824038084	/nfs/dbraw/zinc/03/80/84/824038084.db2.gz	XQAVUNSLPULVBG-WBVHZDCISA-N	1	0	365.437	1.884	20	30		FDEDRO
N#Cc1cc(C(=O)N2C[C@@H]3C[N@H+](CCO[C@@H]4CC4(F)F)CC[C@@H]3C2)c[nH]1	ZINC001087941223	824039540	/nfs/dbraw/zinc/03/95/40/824039540.db2.gz	REHZSVFSPKZVAS-IVMMDQJWSA-N	1	0	364.396	1.704	20	30		FDEDRO
Cn1oc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4)CC[C@@H]3C2)cc1=O	ZINC001087948068	824094199	/nfs/dbraw/zinc/09/41/99/824094199.db2.gz	IDTDOAFESOGZRO-SJORKVTESA-N	1	0	366.421	1.444	20	30		FDEDRO
Cn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4F)CC[C@@H]3C2)nn1	ZINC001087956166	824144954	/nfs/dbraw/zinc/14/49/54/824144954.db2.gz	BCGHXYUQPCHEAJ-ZBFHGGJFSA-N	1	0	368.416	1.420	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)s4)CC[C@@H]3C2)o1	ZINC001087956651	824146997	/nfs/dbraw/zinc/14/69/97/824146997.db2.gz	AEYXNDXWHDYMOH-KGLIPLIRSA-N	1	0	371.466	1.834	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2snnc2C)C1	ZINC001029845561	828617936	/nfs/dbraw/zinc/61/79/36/828617936.db2.gz	KUZDRRIBGYRNHS-ZNMIVQPWSA-N	1	0	350.488	1.718	20	30		FDEDRO
CC[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1	ZINC001087961954	824183260	/nfs/dbraw/zinc/18/32/60/824183260.db2.gz	RFXLQTINSYXTPE-AABGKKOBSA-N	1	0	371.525	1.971	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1	ZINC000840464101	824196627	/nfs/dbraw/zinc/19/66/27/824196627.db2.gz	JVVWFFXPIWMTHU-QGZVFWFLSA-N	1	0	359.445	1.288	20	30		FDEDRO
CN(C)c1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)ccn1	ZINC001087962421	824198763	/nfs/dbraw/zinc/19/87/63/824198763.db2.gz	PABJWOGTWCKFEK-MOPGFXCFSA-N	1	0	352.482	1.841	20	30		FDEDRO
C#CCSCC(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1	ZINC000896285982	824282426	/nfs/dbraw/zinc/28/24/26/824282426.db2.gz	VXHUWAYYCYYYFQ-UHFFFAOYSA-N	1	0	359.495	1.495	20	30		FDEDRO
COc1ccc([C@H]([NH2+]C(C)C)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1	ZINC000896314291	824308970	/nfs/dbraw/zinc/30/89/70/824308970.db2.gz	FMCHXJXGVHQFNL-MJGOQNOKSA-N	1	0	356.470	1.933	20	30		FDEDRO
COC(=O)[C@](C)(C[NH2+][C@H](C)C(=O)NC1(C#N)CCC1)c1ccc(F)cc1	ZINC000447030227	828643775	/nfs/dbraw/zinc/64/37/75/828643775.db2.gz	UILRZSIJIAPZME-FZKQIMNGSA-N	1	0	361.417	1.797	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)N2Cc3cccnc3N3CCC[C@@H]3C2)C1	ZINC000896489400	824440788	/nfs/dbraw/zinc/44/07/88/824440788.db2.gz	NOZCEBZGACHTKW-ZWKOTPCHSA-N	1	0	353.470	1.673	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC(=O)N(C(CC)CC)C3)C[C@@H]2C1	ZINC001087985250	824521114	/nfs/dbraw/zinc/52/11/14/824521114.db2.gz	ITDZXQPZBIBPMU-SQNIBIBYSA-N	1	0	359.514	1.827	20	30		FDEDRO
CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)N[C@@H]3CCO[C@H](C)C3)CC2)C1	ZINC000329091979	824575531	/nfs/dbraw/zinc/57/55/31/824575531.db2.gz	JUBKNACLPPKTOD-KZNAEPCWSA-N	1	0	368.522	1.195	20	30		FDEDRO
C=CC[N@@H+](C)CCN(CC)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)OC	ZINC000429712073	828667086	/nfs/dbraw/zinc/66/70/86/828667086.db2.gz	RJLKLFXMEIZZAR-LJQANCHMSA-N	1	0	373.497	1.553	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)CC1	ZINC000329111368	824600594	/nfs/dbraw/zinc/60/05/94/824600594.db2.gz	GQUFBKGQCBPLEJ-SCTDSRPQSA-N	1	0	369.506	1.263	20	30		FDEDRO
Cc1ccc(NC(=O)CC[NH+]2CCN(c3cc(C#N)ccn3)CC2)nc1	ZINC000447131664	828668974	/nfs/dbraw/zinc/66/89/74/828668974.db2.gz	BVHFGVHSQWCDEJ-UHFFFAOYSA-N	1	0	350.426	1.808	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@@H]([NH+]3CCCCC3)C2)CC1	ZINC000329209159	824667138	/nfs/dbraw/zinc/66/71/38/824667138.db2.gz	BYYOCFWZLSHDQR-MOPGFXCFSA-N	1	0	361.534	1.239	20	30		FDEDRO
CN(C)c1nccc([C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CCO2)n1	ZINC000329279074	824709594	/nfs/dbraw/zinc/70/95/94/824709594.db2.gz	DDRJTBIWYYUIFI-CJNGLKHVSA-N	1	0	360.462	1.067	20	30		FDEDRO
CC1CC[NH+](C[C@H]2CCCN(C(=O)NCCN3CCNC(=O)C3)C2)CC1	ZINC000329280374	824714140	/nfs/dbraw/zinc/71/41/40/824714140.db2.gz	DQHUVKRXNBKCOD-QGZVFWFLSA-N	1	0	365.522	1.616	20	30		FDEDRO
Cc1cc(N2CCC[C@H](NC(=O)N[C@H](C)C3=CC[N@H+](C)CC3)C2=O)n(C)n1	ZINC000329297771	824721139	/nfs/dbraw/zinc/72/11/39/824721139.db2.gz	LCKASGXSTLSJSL-ZBFHGGJFSA-N	1	0	374.489	1.378	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)C3CC(C)C3)[C@H]2CC)CC1	ZINC000984755018	824723118	/nfs/dbraw/zinc/72/31/18/824723118.db2.gz	JILNHGICFYMBNN-SOTJZCEJSA-N	1	0	359.514	1.873	20	30		FDEDRO
C[C@H](NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)N1CCCC1	ZINC000329315731	824731387	/nfs/dbraw/zinc/73/13/87/824731387.db2.gz	CTOOVLBGRAZQPS-HNNXBMFYSA-N	1	0	365.522	1.060	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2cccc3c2OCO3)CC1	ZINC000329334619	824742753	/nfs/dbraw/zinc/74/27/53/824742753.db2.gz	OCWCUQKOYMCLFN-AWEZNQCLSA-N	1	0	360.414	1.199	20	30		FDEDRO
Cn1nccc1[C@H]1[C@H](NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC(=O)N1C	ZINC000329351668	824749826	/nfs/dbraw/zinc/74/98/26/824749826.db2.gz	UGUUXUZBMOYIPW-HDMKZQKVSA-N	1	0	374.489	1.024	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)N1CCOCC2(CCOCC2)C1)N1CCOCC1	ZINC000329364434	824756033	/nfs/dbraw/zinc/75/60/33/824756033.db2.gz	ABEDDRFZYKAPON-QGZVFWFLSA-N	1	0	369.506	1.386	20	30		FDEDRO
Cn1cc(-n2cc(C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)ccc2=O)cn1	ZINC000329445832	824795755	/nfs/dbraw/zinc/79/57/55/824795755.db2.gz	BKUOECWSZYVAMC-OAHLLOKOSA-N	1	0	355.442	1.893	20	30		FDEDRO
CC(C)c1nc([C@@H]2COCCN2C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)no1	ZINC000329473305	824820425	/nfs/dbraw/zinc/82/04/25/824820425.db2.gz	ANXCLSHZYVDOEP-CFVMTHIKSA-N	1	0	363.462	1.963	20	30		FDEDRO
Cc1noc([C@H]2CCCCN2C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)n1	ZINC000329480582	824828345	/nfs/dbraw/zinc/82/83/45/824828345.db2.gz	DAEYKPAYCVURAS-OAHLLOKOSA-N	1	0	364.494	1.845	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1cncc(F)c1	ZINC000329484814	824828793	/nfs/dbraw/zinc/82/87/93/824828793.db2.gz	WWIRFMUPTUTOEG-XJKSGUPXSA-N	1	0	363.437	1.434	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C	ZINC000984781342	824876917	/nfs/dbraw/zinc/87/69/17/824876917.db2.gz	CFNVLWGVDWGLHQ-JQHSSLGASA-N	1	0	371.485	1.868	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c(c3)OCC(=O)N4)C[C@@H]2C1	ZINC001087994396	824968895	/nfs/dbraw/zinc/96/88/95/824968895.db2.gz	HMDNWVSSZNAZIL-CVEARBPZSA-N	1	0	355.438	1.988	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc4c(c3)NC(=O)C4)C[C@@H]2C1	ZINC001087996922	825007842	/nfs/dbraw/zinc/00/78/42/825007842.db2.gz	BBJHIQNHRNEJAR-MSOLQXFVSA-N	1	0	351.450	1.527	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccnc(N(C)C)c2)C1	ZINC000984826301	825032842	/nfs/dbraw/zinc/03/28/42/825032842.db2.gz	QADNWGMWNVDJEP-TVFCKZIOSA-N	1	0	358.486	1.723	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cn(C)nc2C(F)F)C1	ZINC000984826578	825033887	/nfs/dbraw/zinc/03/38/87/825033887.db2.gz	WSYZAXFDEZPIBF-NGFQHRJXSA-N	1	0	368.428	1.933	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cc(C)ncn3)CC[C@@H]2C1	ZINC001087998190	825076467	/nfs/dbraw/zinc/07/64/67/825076467.db2.gz	WCPLUCNKCQTKNG-HBFSDRIKSA-N	1	0	367.497	1.163	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(CC(F)F)nc3C)C[C@@H]2C1	ZINC001088005327	825124754	/nfs/dbraw/zinc/12/47/54/825124754.db2.gz	XYJPRXJVXJMBLD-CABCVRRESA-N	1	0	350.413	1.874	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC000984872093	825193422	/nfs/dbraw/zinc/19/34/22/825193422.db2.gz	XNGMUMSHJFEGLP-RCCFBDPRSA-N	1	0	371.485	1.868	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@H]2CC)c1	ZINC000984896303	825263695	/nfs/dbraw/zinc/26/36/95/825263695.db2.gz	RRWBBPCKTDRBMJ-RYQLBKOJSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(=O)n(CCOC)c3)C[C@@H]2C1	ZINC001088025527	825386200	/nfs/dbraw/zinc/38/62/00/825386200.db2.gz	MADXDSSOTSBZDH-AEFFLSMTSA-N	1	0	359.470	1.465	20	30		FDEDRO
CC[C@@H]1CN(C(=O)N[C@@H]2CCOC3(CCOCC3)C2)CC[N@@H+]1C[C@H](C)O	ZINC000329750008	825418131	/nfs/dbraw/zinc/41/81/31/825418131.db2.gz	HVYKFMYHXKVKQR-GVDBMIGSSA-N	1	0	369.506	1.406	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCCN(c4cccnc4)C3=O)[C@H]2C1	ZINC000329765832	825437309	/nfs/dbraw/zinc/43/73/09/825437309.db2.gz	XJYODMVUTHWATG-OIISXLGYSA-N	1	0	357.458	1.517	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnnn2C(C)C)C1	ZINC000984920904	825467182	/nfs/dbraw/zinc/46/71/82/825467182.db2.gz	MSPXTLFTEPZPHV-JKQORVJESA-N	1	0	362.478	1.220	20	30		FDEDRO
C[C@H](CNC(=O)Cc1cccc(N2CCCC2=O)c1)N1CC[NH+](C)CC1	ZINC000329888592	825524668	/nfs/dbraw/zinc/52/46/68/825524668.db2.gz	ZDOHSGRYUFHAAG-MRXNPFEDSA-N	1	0	358.486	1.948	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2nccn2C)CC1	ZINC000329904066	825535844	/nfs/dbraw/zinc/53/58/44/825535844.db2.gz	IVBHQXFFZKWJPM-HOCLYGCPSA-N	1	0	366.485	1.320	20	30		FDEDRO
CC[NH+]1CCN(c2cccc(NC(=O)N3C[C@H](C)O[C@H](CO)C3)c2)CC1	ZINC000329938451	825553426	/nfs/dbraw/zinc/55/34/26/825553426.db2.gz	FBFKKIFUUFTLBO-YJBOKZPZSA-N	1	0	362.474	1.456	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1CC	ZINC000984939331	825586445	/nfs/dbraw/zinc/58/64/45/825586445.db2.gz	HEUGPVLMFMNRJF-XDNAFOTISA-N	1	0	363.502	1.559	20	30		FDEDRO
C[C@]1(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4)CC[C@@H]3C2)CNC(=O)C1	ZINC001088050639	825599074	/nfs/dbraw/zinc/59/90/74/825599074.db2.gz	PWTCUOATLCFNJX-LVCYWYKZSA-N	1	0	366.465	1.365	20	30		FDEDRO
Cn1cnc2c(c1=O)CCN(C(=O)NC1CC[NH+](C3CCCCC3)CC1)C2	ZINC000330045593	825609539	/nfs/dbraw/zinc/60/95/39/825609539.db2.gz	GKKFSARWSSZTIK-UHFFFAOYSA-N	1	0	373.501	1.850	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)N2CCCC2=O)C[C@H]1C(F)(F)F	ZINC001112192033	828807928	/nfs/dbraw/zinc/80/79/28/828807928.db2.gz	GADGBGZDRJNFHZ-BFHYXJOUSA-N	1	0	361.408	1.942	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc(N4CCOCC4)nc3)CC[C@@H]21	ZINC000330162013	825694374	/nfs/dbraw/zinc/69/43/74/825694374.db2.gz	SDJZMPMVDMANOX-MSOLQXFVSA-N	1	0	373.501	1.748	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2ccc(C(N)=O)cc2)CC1	ZINC000985657792	828815503	/nfs/dbraw/zinc/81/55/03/828815503.db2.gz	NSSOLZDTEFEXJA-MOPGFXCFSA-N	1	0	371.481	1.799	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1ccnc(N(C)C)n1	ZINC000330249071	825765543	/nfs/dbraw/zinc/76/55/43/825765543.db2.gz	ZRXCCWKUPWOILR-CQSZACIVSA-N	1	0	362.478	1.142	20	30		FDEDRO
C[C@]1(CO)CCC[C@H]1[NH2+]CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1	ZINC000330271809	825784289	/nfs/dbraw/zinc/78/42/89/825784289.db2.gz	WOICARITJWLRBM-YLJYHZDGSA-N	1	0	374.485	1.517	20	30		FDEDRO
Cn1c(C(=O)N2C[C@@H]3C[N@@H+](CC#Cc4ccccc4)CC[C@@H]3C2)c[nH]c1=O	ZINC001088066099	825799658	/nfs/dbraw/zinc/79/96/58/825799658.db2.gz	VWGFZPXMJDYABA-MSOLQXFVSA-N	1	0	364.449	1.571	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccnc(OCC[NH+](C)C)c1	ZINC000280903188	825812137	/nfs/dbraw/zinc/81/21/37/825812137.db2.gz	GGQCNAYFPBRFLR-WMZOPIPTSA-N	1	0	362.474	1.802	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1=O	ZINC000281282831	825925824	/nfs/dbraw/zinc/92/58/24/825925824.db2.gz	IVMWJSCTCAHMDV-MRXNPFEDSA-N	1	0	360.414	1.951	20	30		FDEDRO
CN(C(=O)[C@H]1CC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1)c1ccccc1	ZINC000281144912	825892123	/nfs/dbraw/zinc/89/21/23/825892123.db2.gz	PAMWTHBPMKQCIZ-YWZLYKJASA-N	1	0	354.454	1.780	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCN(CC)C1=O	ZINC001029511168	825910111	/nfs/dbraw/zinc/91/01/11/825910111.db2.gz	ABXMDKGFZLVYGM-ADHGMGHFSA-N	1	0	361.486	1.264	20	30		FDEDRO
CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1	ZINC000330337916	825942621	/nfs/dbraw/zinc/94/26/21/825942621.db2.gz	UQPAENZLGSLQDK-FCEWJHQRSA-N	1	0	371.485	1.684	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1	ZINC000281494233	825970987	/nfs/dbraw/zinc/97/09/87/825970987.db2.gz	IYDKSOHPFKUJHK-SXLOBPIMSA-N	1	0	373.497	1.686	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3[nH]ccc3C)[C@@H]2CC)CC1	ZINC000984990232	826008510	/nfs/dbraw/zinc/00/85/10/826008510.db2.gz	ZGENNCAIKZCEIT-ZWKOTPCHSA-N	1	0	370.497	1.778	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)[C@@H]2CC)CC1	ZINC000984989670	826008921	/nfs/dbraw/zinc/00/89/21/826008921.db2.gz	SPCCENXSLPDJIH-RBUKOAKNSA-N	1	0	355.482	1.241	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)CSC)[C@@H]2CC)CC1	ZINC000984992756	826040764	/nfs/dbraw/zinc/04/07/64/826040764.db2.gz	QVBUPJLXAASJNZ-JKSUJKDBSA-N	1	0	351.516	1.190	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@]4(F)CCOC4)C[C@@H]3C2)c1	ZINC001088080012	826136462	/nfs/dbraw/zinc/13/64/62/826136462.db2.gz	HMIAELZKAWEVQT-WSTZPKSXSA-N	1	0	357.429	1.967	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C)C(C)C	ZINC000281665266	826151952	/nfs/dbraw/zinc/15/19/52/826151952.db2.gz	YUVGPWSQMVCULN-GOSISDBHSA-N	1	0	370.497	1.849	20	30		FDEDRO
Cn1ncc2c1C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)CC2	ZINC000281710611	826168890	/nfs/dbraw/zinc/16/88/90/826168890.db2.gz	BRQODYAIFZGYRL-GOSISDBHSA-N	1	0	365.481	1.987	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1(C)C	ZINC000281807359	826257744	/nfs/dbraw/zinc/25/77/44/826257744.db2.gz	PSPJVVWLPFUCED-UHFFFAOYSA-N	1	0	358.486	1.858	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCn3nc(C)nc3C)CC[C@@H]2C1	ZINC001088113080	826445461	/nfs/dbraw/zinc/44/54/61/826445461.db2.gz	NDYKULKHDVGKRL-HCXYKTFWSA-N	1	0	373.501	1.266	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@H]2CC)c1	ZINC000985165965	826672138	/nfs/dbraw/zinc/67/21/38/826672138.db2.gz	GFPUKARORBSGKH-YTQUADARSA-N	1	0	368.481	1.514	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1C[C@H](OCC)C12CCC2)N1CCN(c2ncccn2)CC1	ZINC000262436473	826800001	/nfs/dbraw/zinc/80/00/01/826800001.db2.gz	TXRUCCNSVAQVSU-SJORKVTESA-N	1	0	372.517	1.912	20	30		FDEDRO
C#CCOc1cccc(Cl)c1C[NH+]1CCC2(CC1)C[C@@H](O)CNC2=O	ZINC000897043318	826826616	/nfs/dbraw/zinc/82/66/16/826826616.db2.gz	USYGDTCLXWSGOT-CQSZACIVSA-N	1	0	362.857	1.815	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cncn4)n3)C[C@@H]2C1	ZINC001088155229	826853995	/nfs/dbraw/zinc/85/39/95/826853995.db2.gz	DCRUUOIDUIINMR-CVEARBPZSA-N	1	0	352.442	1.632	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2CC)cn1	ZINC000985210267	826933525	/nfs/dbraw/zinc/93/35/25/826933525.db2.gz	SZUVNQMHJAZVBP-RCCFBDPRSA-N	1	0	354.454	1.266	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2CC)cc1	ZINC000985230949	826968160	/nfs/dbraw/zinc/96/81/60/826968160.db2.gz	RVYDYBGVUVJAHI-CEXWTWQISA-N	1	0	353.466	1.729	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3cncc(C)c3)[C@H]2C)CC1	ZINC000987513594	833159857	/nfs/dbraw/zinc/15/98/57/833159857.db2.gz	NKCIUQHRZKTSED-APWZRJJASA-N	1	0	368.481	1.454	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4cnoc4C)CC[C@@H]3C2)cn1	ZINC001088175366	827225995	/nfs/dbraw/zinc/22/59/95/827225995.db2.gz	SEEVSKGLGYCNFH-AEFFLSMTSA-N	1	0	350.422	1.953	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C(=O)N(C)C)C[C@@H]2C1	ZINC001088173691	827253244	/nfs/dbraw/zinc/25/32/44/827253244.db2.gz	OCEVUNJMFNEVLC-SJORKVTESA-N	1	0	353.466	1.806	20	30		FDEDRO
O=C([C@@H]1CCC(=O)N1)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001088176660	827273018	/nfs/dbraw/zinc/27/30/18/827273018.db2.gz	IQMOAKSJTJUVQM-QYZOEREBSA-N	1	0	351.450	1.097	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cnnn4)c3)C[C@@H]2C1	ZINC001088196599	827408892	/nfs/dbraw/zinc/40/88/92/827408892.db2.gz	PPCULFALEVEXSY-SJORKVTESA-N	1	0	352.442	1.632	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4ncc(C)o4)C[C@H]3C2)CC1	ZINC001088212057	827493793	/nfs/dbraw/zinc/49/37/93/827493793.db2.gz	MRLOCFJIDYIFPN-MOPGFXCFSA-N	1	0	370.497	1.609	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cc4ccc[nH]4)C[C@@H]3C2)C1=O	ZINC001088208046	827499491	/nfs/dbraw/zinc/49/94/91/827499491.db2.gz	ITVJPMCBZDBSIE-SOLBZPMBSA-N	1	0	356.470	1.124	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)N3CCOCC3)C[C@@H]2C1	ZINC001088208444	827501674	/nfs/dbraw/zinc/50/16/74/827501674.db2.gz	AATMNGILTQQGHF-AABGKKOBSA-N	1	0	361.530	1.844	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C2(n3cccn3)CC[NH2+]CC2)cc1	ZINC000261994168	837385701	/nfs/dbraw/zinc/38/57/01/837385701.db2.gz	TXVMDZNJLGVRLJ-UHFFFAOYSA-N	1	0	368.441	1.908	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@]34CCC[C@H]3OCC4)CC2)C1	ZINC001088235366	827604980	/nfs/dbraw/zinc/60/49/80/827604980.db2.gz	PYGHUCAQBITKEO-SBHAEUEKSA-N	1	0	360.498	1.908	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3ncccc3C)[C@H]2C)CC1	ZINC000987555904	833223205	/nfs/dbraw/zinc/22/32/05/833223205.db2.gz	RSWNNSVEDYKRJZ-AEFFLSMTSA-N	1	0	368.481	1.454	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CC[C@@H]1CCC[N@@H+]1C	ZINC000987547202	833226196	/nfs/dbraw/zinc/22/61/96/833226196.db2.gz	XLZHLSDTPDOXKL-KBMXLJTQSA-N	1	0	357.458	1.480	20	30		FDEDRO
Cn1ccc(CCC(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)n1	ZINC001075848651	827651366	/nfs/dbraw/zinc/65/13/66/827651366.db2.gz	MBTQBKUYXCPVPM-AZUAARDMSA-N	1	0	363.465	1.957	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)CC2)C1	ZINC001088239302	827660089	/nfs/dbraw/zinc/66/00/89/827660089.db2.gz	RCYSOWSBRFEKBA-SLFFLAALSA-N	1	0	370.497	1.486	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(CO[C@@H]2CC[N@H+](CCO)C2)CC1	ZINC001088239524	827663186	/nfs/dbraw/zinc/66/31/86/827663186.db2.gz	ZCZAWKRSDPUPRN-QYZOEREBSA-N	1	0	366.502	1.289	20	30		FDEDRO
CC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1	ZINC000456535477	827726459	/nfs/dbraw/zinc/72/64/59/827726459.db2.gz	UOCYRFCUTHONKA-VQIMIIECSA-N	1	0	368.481	1.992	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2cnn(C)c2)C[C@H]1C(F)(F)F	ZINC001112184801	827862258	/nfs/dbraw/zinc/86/22/58/827862258.db2.gz	GFMIUDLDUBBXMJ-BPLDGKMQSA-N	1	0	356.392	1.601	20	30		FDEDRO
CC[NH+]=C(NCc1c(C)nn(C)c1C)N1CCN(C[C@H]2CCOC2)CC1	ZINC000179086599	827916360	/nfs/dbraw/zinc/91/63/60/827916360.db2.gz	VKQYGDBDUMCGSC-QGZVFWFLSA-N	1	0	362.522	1.157	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCCC2)N1CC[C@@H](C(=O)OC(C)(C)C)C1	ZINC000179092387	827924554	/nfs/dbraw/zinc/92/45/54/827924554.db2.gz	LOEVBONRRWMFLK-CYBMUJFWSA-N	1	0	362.478	1.353	20	30		FDEDRO
CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=[NH2+])N1CCN(c2ncccn2)CC1	ZINC000262540344	828073605	/nfs/dbraw/zinc/07/36/05/828073605.db2.gz	RPOQPKOMKHADRP-JKSUJKDBSA-N	1	0	360.506	1.755	20	30		FDEDRO
COC(=O)C[C@]1([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCOC1	ZINC000447882109	828924546	/nfs/dbraw/zinc/92/45/46/828924546.db2.gz	NPHKHKJQGIWEAB-VQIMIIECSA-N	1	0	357.410	1.365	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1	ZINC000527297854	829022388	/nfs/dbraw/zinc/02/23/88/829022388.db2.gz	XDLFPDZAIRJODS-CQSZACIVSA-N	1	0	370.453	1.994	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1	ZINC000527367135	829038817	/nfs/dbraw/zinc/03/88/17/829038817.db2.gz	MAPZCBUOLUCESG-OAHLLOKOSA-N	1	0	356.426	1.592	20	30		FDEDRO
C[C@H](C(=O)NC1CCC(Oc2ncccc2C#N)CC1)N1CCN(C)CC1	ZINC000527363888	829045777	/nfs/dbraw/zinc/04/57/77/829045777.db2.gz	SSVAHWDIFXMPEK-FAEJEUNOSA-N	1	0	371.485	1.395	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCNCc1nnn(C(C)(C)C)n1	ZINC001168100517	829192453	/nfs/dbraw/zinc/19/24/53/829192453.db2.gz	CTASSXJOICQMAO-ZFWWWQNUSA-N	1	0	350.467	1.005	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CCN1CCN(c2cc[nH+]cc2)CC1	ZINC000528402829	829384529	/nfs/dbraw/zinc/38/45/29/829384529.db2.gz	JFLGFDYLNCDVKM-UHFFFAOYSA-N	1	0	360.417	1.503	20	30		FDEDRO
Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2C[C@@H](O)COc2ccccc2C#N)cn1	ZINC000528433952	829409724	/nfs/dbraw/zinc/40/97/24/829409724.db2.gz	UCNNVDOVCNLLIY-GUDVDZBRSA-N	1	0	370.453	1.620	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1	ZINC000528685322	829512556	/nfs/dbraw/zinc/51/25/56/829512556.db2.gz	JTWQZZJVMAWMLH-UHFFFAOYSA-N	1	0	356.430	1.041	20	30		FDEDRO
N#Cc1ccc(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cn1	ZINC000528917930	829619345	/nfs/dbraw/zinc/61/93/45/829619345.db2.gz	MQTWRFWERMAFDB-AZUAARDMSA-N	1	0	364.449	1.495	20	30		FDEDRO
N#Cc1ccc(CC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)cn1	ZINC000528991298	829664060	/nfs/dbraw/zinc/66/40/60/829664060.db2.gz	MGQBTIMIEJOLDW-UHFFFAOYSA-N	1	0	356.470	1.847	20	30		FDEDRO
C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1	ZINC000449891885	829714377	/nfs/dbraw/zinc/71/43/77/829714377.db2.gz	MNQSENQDKHNEFF-HIFRSBDPSA-N	1	0	374.872	1.975	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COCc2cccnc2)C[C@H]1C(F)(F)F	ZINC001112199954	829989780	/nfs/dbraw/zinc/98/97/80/829989780.db2.gz	DPSWOLAUDAYAGL-HUUCEWRRSA-N	1	0	355.360	1.600	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1CCN(Cc2ccc(OC)cc2)CC1	ZINC000451685669	830427633	/nfs/dbraw/zinc/42/76/33/830427633.db2.gz	XUMVARAVHSHAIK-UXHICEINSA-N	1	0	373.497	1.663	20	30		FDEDRO
C=CCn1c(-c2nnn(C)c2C)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1	ZINC000453429419	830934809	/nfs/dbraw/zinc/93/48/09/830934809.db2.gz	RGANOLPSKGQWML-OAHLLOKOSA-N	1	0	358.494	1.736	20	30		FDEDRO
C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC1	ZINC000453587165	830959517	/nfs/dbraw/zinc/95/95/17/830959517.db2.gz	YYYYABUITKTZPK-UHFFFAOYSA-N	1	0	358.442	1.884	20	30		FDEDRO
C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1	ZINC000453635572	830974736	/nfs/dbraw/zinc/97/47/36/830974736.db2.gz	LLYFWBZAKNLZJD-OAHLLOKOSA-N	1	0	358.442	1.837	20	30		FDEDRO
C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cccc(CC#N)c1	ZINC000453629813	830986104	/nfs/dbraw/zinc/98/61/04/830986104.db2.gz	QSQNKKYDIMVQIN-KRWDZBQOSA-N	1	0	358.442	1.260	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)ccc1C#N	ZINC000453761028	831073872	/nfs/dbraw/zinc/07/38/72/831073872.db2.gz	VFIADDAFTQJDFD-INIZCTEOSA-N	1	0	369.400	1.758	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4C[C@@H]4C)C[C@H]3C2)CC1	ZINC000986246221	831357101	/nfs/dbraw/zinc/35/71/01/831357101.db2.gz	NSISTXLXBRXTIQ-NQYYFHDYSA-N	1	0	357.498	1.295	20	30		FDEDRO
CC(C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]2C1)[NH+]1CCCC1	ZINC000986250190	831377101	/nfs/dbraw/zinc/37/71/01/831377101.db2.gz	UXNACVDDSXMBRS-SVFBPWRDSA-N	1	0	371.525	1.827	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)C(C)(F)F)CC[C@@H]2C1	ZINC000986309289	831466115	/nfs/dbraw/zinc/46/61/15/831466115.db2.gz	NLNGKMDGGHESCL-ILXRZTDVSA-N	1	0	353.413	1.046	20	30		FDEDRO
CC[NH+]=C(NCc1cnc(N(C)C)n1C)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C	ZINC000262799211	831500408	/nfs/dbraw/zinc/50/04/08/831500408.db2.gz	QITOCGANMRZTLE-XHSDSOJGSA-N	1	0	362.522	1.745	20	30		FDEDRO
C[NH+]=C(NCCNC(=O)c1ccc(O)cc1)N1CCC2(C1)CCOCC2	ZINC000262817467	831565294	/nfs/dbraw/zinc/56/52/94/831565294.db2.gz	XFHXDUFXKPERFI-UHFFFAOYSA-N	1	0	360.458	1.200	20	30		FDEDRO
CC(C)(C(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]2C1)[NH+]1CCCC1	ZINC000986471582	831734807	/nfs/dbraw/zinc/73/48/07/831734807.db2.gz	UCTLVLXBJGEVRQ-MSOLQXFVSA-N	1	0	357.498	1.581	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@@H]2C1	ZINC000986595519	832016275	/nfs/dbraw/zinc/01/62/75/832016275.db2.gz	XBILTRXVRAMHRW-BMFZPTHFSA-N	1	0	351.410	1.414	20	30		FDEDRO
Cc1c(C(=O)N2CC[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]3C2)ccc2c[nH+]cn21	ZINC000986601481	832032048	/nfs/dbraw/zinc/03/20/48/832032048.db2.gz	QUPVWOKLHVQXBA-BMFZPTHFSA-N	1	0	365.437	1.723	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)[C@H](C)C#N)C[C@H]3C2)CC1	ZINC000986603262	832037669	/nfs/dbraw/zinc/03/76/69/832037669.db2.gz	HLGMNYAOWVJJCN-NXHRZFHOSA-N	1	0	360.502	1.573	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CC[C@@H]2C1	ZINC000986686498	832198346	/nfs/dbraw/zinc/19/83/46/832198346.db2.gz	UFHNLUNYRJCRMG-OIISXLGYSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C	ZINC000453928665	832247223	/nfs/dbraw/zinc/24/72/23/832247223.db2.gz	INVMOTSSHZAANP-BMFZPTHFSA-N	1	0	359.426	1.470	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cccc(OCCCC#N)c3)C[C@@H]21	ZINC000453933490	832361918	/nfs/dbraw/zinc/36/19/18/832361918.db2.gz	PPQZSPMHDUXKKA-PBHICJAKSA-N	1	0	356.426	1.470	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H](CC(C)C)C(N)=O)C[C@H]1C(F)(F)F	ZINC001112220089	832483543	/nfs/dbraw/zinc/48/35/43/832483543.db2.gz	LMHIQWHBWKZLHM-QJPTWQEYSA-N	1	0	369.815	1.865	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C[C@H](O)Cc1ccc(F)cc1	ZINC001088533983	832490455	/nfs/dbraw/zinc/49/04/55/832490455.db2.gz	UQXQDXRINKAWEW-ZNOIYHFQSA-N	1	0	370.428	1.822	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCCC[C@H](NC(=O)C[NH+]2CCCC2)C1	ZINC000987159973	832622069	/nfs/dbraw/zinc/62/20/69/832622069.db2.gz	JKMXFWSRALFZCG-KSZLIROESA-N	1	0	363.502	1.561	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1C	ZINC000987646465	833511965	/nfs/dbraw/zinc/51/19/65/833511965.db2.gz	GWAAINFPHUTMIV-XOKHGSTOSA-N	1	0	357.458	1.478	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1	ZINC000666431508	833611337	/nfs/dbraw/zinc/61/13/37/833611337.db2.gz	UDRCPEZJCXZFNR-HXUWFJFHSA-N	1	0	372.513	1.521	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3c(C)coc3C)[C@H]2C)CC1	ZINC000987803372	833675744	/nfs/dbraw/zinc/67/57/44/833675744.db2.gz	LWALYCGZCNIVTL-QAPCUYQASA-N	1	0	371.481	1.961	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000987886833	833764458	/nfs/dbraw/zinc/76/44/58/833764458.db2.gz	HRIZQXUCTUGAAI-IJEWVQPXSA-N	1	0	357.458	1.147	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C)cc1	ZINC000988857911	837728438	/nfs/dbraw/zinc/72/84/38/837728438.db2.gz	XZFUMLROIRVFRJ-SUMDDJOVSA-N	1	0	371.481	1.922	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC000988169351	834182446	/nfs/dbraw/zinc/18/24/46/834182446.db2.gz	WFPWIDSCNZYZRQ-PBHICJAKSA-N	1	0	371.485	1.870	20	30		FDEDRO
CCOc1cc(C=NNC2=NCCN2)ccc1OCC(=O)N1CCCCC1	ZINC000841662803	834441847	/nfs/dbraw/zinc/44/18/47/834441847.db2.gz	RLXANROUMCKGOP-UHFFFAOYSA-N	1	0	373.457	1.359	20	30		FDEDRO
C=CCC[C@@H](CO)NC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C	ZINC000454060586	834512930	/nfs/dbraw/zinc/51/29/30/834512930.db2.gz	RYAYBMWZTYWNNY-BBRMVZONSA-N	1	0	361.442	1.454	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1	ZINC000454112542	834603203	/nfs/dbraw/zinc/60/32/03/834603203.db2.gz	VNDBVUNFZMMFNL-HNNXBMFYSA-N	1	0	358.442	1.837	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)NCC[NH+]2CCC(OC)CC2)cc1	ZINC000079796566	834742117	/nfs/dbraw/zinc/74/21/17/834742117.db2.gz	AVJJUDFCUYNBII-UHFFFAOYSA-N	1	0	360.458	1.835	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN1CC#Cc1ccccc1	ZINC001088571903	834851337	/nfs/dbraw/zinc/85/13/37/834851337.db2.gz	QZZUXZSLEBPNLX-UIFIKXQLSA-N	1	0	351.494	1.959	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2sccc2C[NH+](C)C)CCN1C(=O)C#CC1CC1	ZINC000988415308	834967044	/nfs/dbraw/zinc/96/70/44/834967044.db2.gz	RNHFTXYOPUSOSO-CJNGLKHVSA-N	1	0	359.495	1.942	20	30		FDEDRO
COc1ccc(NC(=S)NN=Cc2ccc(N(C)CCO)cc2)cn1	ZINC000729640470	834984534	/nfs/dbraw/zinc/98/45/34/834984534.db2.gz	AWOKXARQSUWITB-UHFFFAOYSA-N	1	0	359.455	1.839	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](OCC)[C@H]2n2cccn2)CC1	ZINC000454471077	835515629	/nfs/dbraw/zinc/51/56/29/835515629.db2.gz	YECNKDQGOPLJCY-KURKYZTESA-N	1	0	361.490	1.941	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)n(CCC#N)n1	ZINC000532999923	835616035	/nfs/dbraw/zinc/61/60/35/835616035.db2.gz	LQDNILIHNHCPQD-INIZCTEOSA-N	1	0	372.473	1.234	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)[C@@H]2C)CC1	ZINC000988506733	835660040	/nfs/dbraw/zinc/66/00/40/835660040.db2.gz	OBAQNVNPMGCTCR-IQRFUGTFSA-N	1	0	357.498	1.483	20	30		FDEDRO
CC(C)N1C[C@@H](C(=O)N[C@H]2CCN(CC#Cc3ccccc3)[C@@H]2C)CC1=O	ZINC001088602089	835947631	/nfs/dbraw/zinc/94/76/31/835947631.db2.gz	WHOXSXMIIOXOMN-HOJAQTOUSA-N	1	0	367.493	1.874	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)CCCC[NH+](C)C)C[C@@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001105669169	844147513	/nfs/dbraw/zinc/14/75/13/844147513.db2.gz	PQMVUPPXDBOZMT-PSBWJHGTSA-N	1	0	350.507	1.208	20	30		FDEDRO
C=CCN1CC[C@@H](N2C[C@@H](NC(=O)CCCC(C)(C)C)[C@H](OC)C2)C1=O	ZINC001212028372	836319299	/nfs/dbraw/zinc/31/92/99/836319299.db2.gz	QDVLBVPRKXLUIE-BRWVUGGUSA-N	1	0	365.518	1.805	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000938028468	836992278	/nfs/dbraw/zinc/99/22/78/836992278.db2.gz	NEHNMUVXOIPIMS-SZMVWBNQSA-N	1	0	368.437	1.646	20	30		FDEDRO
C[NH+]=C(NCc1cccnc1N1CCN(C)CC1)N1CC[C@@]2(CCOC2)C1	ZINC000261979657	837381877	/nfs/dbraw/zinc/38/18/77/837381877.db2.gz	ONVJLUATLSUKOL-HXUWFJFHSA-N	1	0	372.517	1.021	20	30		FDEDRO
[NH2+]=C(NCCn1c2ccccc2[nH]c1=O)N[C@H]1CCOc2ccccc21	ZINC000262704930	837838513	/nfs/dbraw/zinc/83/85/13/837838513.db2.gz	MFPOQHRLCKMNRU-AWEZNQCLSA-N	1	0	351.410	1.758	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC000988953771	837987604	/nfs/dbraw/zinc/98/76/04/837987604.db2.gz	WCEDFNCINQOKNQ-PXAZEXFGSA-N	1	0	362.393	1.567	20	30		FDEDRO
CN1CCC[C@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)CSCC#N)C3)C1=O	ZINC001112264883	844316714	/nfs/dbraw/zinc/31/67/14/844316714.db2.gz	WGSFQDTYIUWYRL-MPGHIAIKSA-N	1	0	364.515	1.082	20	30		FDEDRO
C=CCNC(=O)C[NH2+]Cc1ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c1	ZINC000271996096	838421038	/nfs/dbraw/zinc/42/10/38/838421038.db2.gz	MZSXKBLSKZKOQO-AWEZNQCLSA-N	1	0	363.458	1.333	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1	ZINC000271935200	838422143	/nfs/dbraw/zinc/42/21/43/838422143.db2.gz	NRWAWGZPAUKBEK-LSDHHAIUSA-N	1	0	355.438	1.876	20	30		FDEDRO
C[NH+](C)CCn1nccc1NC(=O)N1CC(Oc2ccc(C#N)cc2)C1	ZINC000455663375	838452234	/nfs/dbraw/zinc/45/22/34/838452234.db2.gz	XKWKABBVHYPDQA-UHFFFAOYSA-N	1	0	354.414	1.611	20	30		FDEDRO
CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000508736325	838476926	/nfs/dbraw/zinc/47/69/26/838476926.db2.gz	KALQRBGRDYMEHT-QZTJIDSGSA-N	1	0	356.470	1.942	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C)nc1	ZINC000989163936	838547034	/nfs/dbraw/zinc/54/70/34/838547034.db2.gz	MOKXUOHANBGQEE-UXLLHSPISA-N	1	0	354.454	1.124	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C)nc1	ZINC000989163960	838547055	/nfs/dbraw/zinc/54/70/55/838547055.db2.gz	NOLXBRDQXWSGKE-WBVHZDCISA-N	1	0	368.481	1.514	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)CCc3nccn3C)[C@@H]2C)nc1	ZINC000989165382	838552071	/nfs/dbraw/zinc/55/20/71/838552071.db2.gz	OGTUTBQJILMMMK-ZBFHGGJFSA-N	1	0	365.437	1.148	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2c(C)nsc2C)[C@@H]1C	ZINC001088631148	838622208	/nfs/dbraw/zinc/62/22/08/838622208.db2.gz	UZUMZTCLOFZYBW-JLSDUUJJSA-N	1	0	360.527	1.937	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccn3nnnc3c2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088791568	844379635	/nfs/dbraw/zinc/37/96/35/844379635.db2.gz	PUBYGVOLJHUXHW-DYVFJYSZSA-N	1	0	361.409	1.389	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN(c3ccc(C#N)nn3)C2)CC[N@@H+]1C	ZINC001059968594	839531989	/nfs/dbraw/zinc/53/19/89/839531989.db2.gz	KBWPQWGEKKBLMJ-BHYGNILZSA-N	1	0	356.474	1.411	20	30		FDEDRO
C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CCC1	ZINC001105563022	839974369	/nfs/dbraw/zinc/97/43/69/839974369.db2.gz	BBDLOYCHNJXONB-SQNIBIBYSA-N	1	0	359.514	1.875	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)F)[C@H]2C(C)C)C[C@H]1O	ZINC001105585693	839999586	/nfs/dbraw/zinc/99/95/86/839999586.db2.gz	UZZATBACMWTKJW-ZLHSVIROSA-N	1	0	369.481	1.003	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105588020	840036711	/nfs/dbraw/zinc/03/67/11/840036711.db2.gz	QBUGWJRYGUERLL-LTDCPUDJSA-N	1	0	351.491	1.055	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105593506	840260051	/nfs/dbraw/zinc/26/00/51/840260051.db2.gz	AQIJUEGRWFLLJP-SOAMZJECSA-N	1	0	361.486	1.797	20	30		FDEDRO
CC1CC[NH+](C[C@@H](O)CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1	ZINC000476327296	840266836	/nfs/dbraw/zinc/26/68/36/840266836.db2.gz	VOHHUDJWMFSLDI-AWEZNQCLSA-N	1	0	370.375	1.795	20	30		FDEDRO
CC[C@H](C)n1nccc1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O	ZINC001083498942	844528768	/nfs/dbraw/zinc/52/87/68/844528768.db2.gz	YQXBBWODEMNVSP-YJLNNSPDSA-N	1	0	367.453	1.701	20	30		FDEDRO
CN1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC[N@H+](C)CC1	ZINC000897858539	840452972	/nfs/dbraw/zinc/45/29/72/840452972.db2.gz	HUCNVSATKXFQNZ-UHFFFAOYSA-N	1	0	367.501	1.538	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(C)c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105594327	840534526	/nfs/dbraw/zinc/53/45/26/840534526.db2.gz	OWRCLRLDGZWIIV-XSYGEPLQSA-N	1	0	360.502	1.884	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3snnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105594718	840580418	/nfs/dbraw/zinc/58/04/18/840580418.db2.gz	VVNQFSNVPCZTTL-GZOSKZMVSA-N	1	0	362.499	1.450	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105594745	840580635	/nfs/dbraw/zinc/58/06/35/840580635.db2.gz	WLBPGJUMLXJNAM-IZBJGVDFSA-N	1	0	360.502	1.815	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3snnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105594717	840580811	/nfs/dbraw/zinc/58/08/11/840580811.db2.gz	VVNQFSNVPCZTTL-DEICHXMPSA-N	1	0	362.499	1.450	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCn3cccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105597042	840763513	/nfs/dbraw/zinc/76/35/13/840763513.db2.gz	BIDQOAXDZCRLTF-LFGUQSLTSA-N	1	0	358.486	1.263	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccccc3O)[C@H]2C(C)C)C[C@H]1O	ZINC001105598460	840814957	/nfs/dbraw/zinc/81/49/57/840814957.db2.gz	QTCZMHBSVLQEEI-RBAQFSTRSA-N	1	0	356.466	1.995	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105600611	840999608	/nfs/dbraw/zinc/99/96/08/840999608.db2.gz	KJBBTZQWWOFVHH-MLYOOKFZSA-N	1	0	358.486	1.941	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN(C)C(C)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105600632	841000099	/nfs/dbraw/zinc/00/00/99/841000099.db2.gz	KQZAFYGPFWLULB-JYBIWHBTSA-N	1	0	365.518	1.397	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCC3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105600472	841011045	/nfs/dbraw/zinc/01/10/45/841011045.db2.gz	HXJLNYQERIHDLZ-JYBIWHBTSA-N	1	0	350.503	1.955	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CNC(=O)OC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105601512	841035674	/nfs/dbraw/zinc/03/56/74/841035674.db2.gz	ZNKFRLKCOGUEDU-LFEHRJTNSA-N	1	0	367.490	1.275	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC000989482879	841039383	/nfs/dbraw/zinc/03/93/83/841039383.db2.gz	VQIDLKCBMHBXIZ-ZBFHGGJFSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CNC(=O)CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105603470	841170419	/nfs/dbraw/zinc/17/04/19/841170419.db2.gz	KMTVMERHJPXEKV-DTTOXWODSA-N	1	0	371.909	1.231	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105603405	841170636	/nfs/dbraw/zinc/17/06/36/841170636.db2.gz	JMTLHSVTBMVSJI-HNBVOPMISA-N	1	0	350.503	1.793	20	30		FDEDRO
C=C[C@@H]1C[C@]1([NH2+]C1CCC([NH+](C)C)CC1)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001168303810	841179350	/nfs/dbraw/zinc/17/93/50/841179350.db2.gz	FITPXLLELOSKSG-QROZZAMVSA-N	1	0	355.504	1.002	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cc(C)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105606398	841205246	/nfs/dbraw/zinc/20/52/46/841205246.db2.gz	CLCKKPODEIGRIQ-IZBJGVDFSA-N	1	0	358.486	1.181	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nccnc3N)[C@H]2C(C)C)C[C@H]1O	ZINC001105606409	841205387	/nfs/dbraw/zinc/20/53/87/841205387.db2.gz	CYQBNXUSFXLLAD-GTACMHHNSA-N	1	0	359.474	1.215	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)n(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105607487	841229578	/nfs/dbraw/zinc/22/95/78/841229578.db2.gz	SCILESBQZFTQST-FTEYMNFISA-N	1	0	360.502	1.884	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C)nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105610129	841559460	/nfs/dbraw/zinc/55/94/60/841559460.db2.gz	IEOZODUXBPDSOA-XSYGEPLQSA-N	1	0	358.486	1.332	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=C)Cl)C2)[C@H]1C(C)C	ZINC001105610253	841593204	/nfs/dbraw/zinc/59/32/04/841593204.db2.gz	JJKZRBBEPZAION-JOCBIADPSA-N	1	0	356.894	1.908	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3n[nH]c(C)c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105610380	841640615	/nfs/dbraw/zinc/64/06/15/841640615.db2.gz	KEWQJWSTBIPEKV-HBXLWWENSA-N	1	0	358.486	1.630	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc(=O)[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105610577	841652629	/nfs/dbraw/zinc/65/26/29/841652629.db2.gz	LFSJWDIPKZYAAF-QQTQMKHKSA-N	1	0	357.454	1.390	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H](C)c3ccco3)[C@H]2C)CC1	ZINC000989990621	841774504	/nfs/dbraw/zinc/77/45/04/841774504.db2.gz	YDWQBCSFSIXTJU-JZXOWHBKSA-N	1	0	371.481	1.834	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cc[nH]n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105612329	842031643	/nfs/dbraw/zinc/03/16/43/842031643.db2.gz	ZQZRQWKWZLWIEQ-IZBJGVDFSA-N	1	0	360.502	1.885	20	30		FDEDRO
CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000490405146	861288918	/nfs/dbraw/zinc/28/89/18/861288918.db2.gz	YFUDHMNTGLVTEM-KRWDZBQOSA-N	1	0	373.482	1.472	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(OC)no3)[C@H]2C(C)C)C[C@H]1O	ZINC001105618944	842233888	/nfs/dbraw/zinc/23/38/88/842233888.db2.gz	CGTAXRHKYZOKDI-XNWVLMOPSA-N	1	0	361.442	1.286	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)ccn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105618968	842235030	/nfs/dbraw/zinc/23/50/30/842235030.db2.gz	CMCDIPDALWDLFG-ZJSJBZJDSA-N	1	0	357.498	1.937	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@@H]1C(C)C	ZINC001105619031	842235305	/nfs/dbraw/zinc/23/53/05/842235305.db2.gz	DTUSIDNWXJSOER-JYBIWHBTSA-N	1	0	350.503	1.793	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(=O)NCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105619103	842235940	/nfs/dbraw/zinc/23/59/40/842235940.db2.gz	FTAWAOJBBXSQIZ-YAJHFMINSA-N	1	0	365.518	1.445	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)ncn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105619321	842236863	/nfs/dbraw/zinc/23/68/63/842236863.db2.gz	IZDPVZPPSFUIOU-FTEYMNFISA-N	1	0	358.486	1.941	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nn(C)cc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105626531	842256752	/nfs/dbraw/zinc/25/67/52/842256752.db2.gz	CMNCXODNXUDWIE-QQTQMKHKSA-N	1	0	358.486	1.332	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncn(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105627179	842259340	/nfs/dbraw/zinc/25/93/40/842259340.db2.gz	LJQIKCOKUBXIKV-OAFZBRQQSA-N	1	0	361.490	1.361	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@H]1C(C)C	ZINC001105631547	842265025	/nfs/dbraw/zinc/26/50/25/842265025.db2.gz	DQTBYGBTERJEOB-SOAMZJECSA-N	1	0	350.503	1.713	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3onc(C)c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105636964	842269641	/nfs/dbraw/zinc/26/96/41/842269641.db2.gz	HPONHDYANNZACO-QQTQMKHKSA-N	1	0	359.470	1.894	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)ncn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105637895	842274805	/nfs/dbraw/zinc/27/48/05/842274805.db2.gz	XEOLIHYEXQLVIE-HBXLWWENSA-N	1	0	360.502	1.884	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc[nH]c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105632411	842279685	/nfs/dbraw/zinc/27/96/85/842279685.db2.gz	KZUNZLGLOBEQOP-MLYOOKFZSA-N	1	0	361.486	1.797	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCOCC3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105632483	842280071	/nfs/dbraw/zinc/28/00/71/842280071.db2.gz	LQWVHRQPSXWCAI-JYBIWHBTSA-N	1	0	350.503	1.955	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC=C(C)C)C2)[C@@H]1C(C)C	ZINC001105632689	842280959	/nfs/dbraw/zinc/28/09/59/842280959.db2.gz	NFURYJFGWCJSFC-QCFAMHMHSA-N	1	0	362.514	1.959	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)nnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105633243	842281555	/nfs/dbraw/zinc/28/15/55/842281555.db2.gz	RKKMRDKYWVFUAL-ANTGDGSKSA-N	1	0	370.497	1.696	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCOC)C2)[C@@H]1C(C)C	ZINC001105633331	842282363	/nfs/dbraw/zinc/28/23/63/842282363.db2.gz	RYFSSRHALHBYDC-JYBIWHBTSA-N	1	0	366.502	1.029	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3coc(OC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105641472	842294777	/nfs/dbraw/zinc/29/47/77/842294777.db2.gz	BOKSZOFOZUZMOB-JNNRSPCRSA-N	1	0	361.442	1.286	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105641533	842296279	/nfs/dbraw/zinc/29/62/79/842296279.db2.gz	CDTWXMCWHFHSNA-UIXUWTQFSA-N	1	0	360.502	1.966	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@H]1C(C)C	ZINC001105646647	842409110	/nfs/dbraw/zinc/40/91/10/842409110.db2.gz	KTKQFLHEAXKEQF-UKAVVXHISA-N	1	0	364.530	1.919	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCn3ccnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105647519	842413270	/nfs/dbraw/zinc/41/32/70/842413270.db2.gz	RQPOZCJCGNKWMM-IZBJGVDFSA-N	1	0	358.486	1.263	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3n[nH]nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105647559	842413712	/nfs/dbraw/zinc/41/37/12/842413712.db2.gz	RYQWUMARSBRFEO-IIHSZXCVSA-N	1	0	361.490	1.659	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCF)[C@@H]2C(C)C)C[C@H]1O	ZINC001105652359	842453540	/nfs/dbraw/zinc/45/35/40/842453540.db2.gz	LJRWBFGOLSWTNG-OHDICMOHSA-N	1	0	369.481	1.004	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CC#CC)C3)[C@H]2C(C)C)c1	ZINC001105657154	842491194	/nfs/dbraw/zinc/49/11/94/842491194.db2.gz	XGIFGYKDDWJHLY-NXLVEIQXSA-N	1	0	365.477	1.666	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(CF)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105658976	842500691	/nfs/dbraw/zinc/50/06/91/842500691.db2.gz	LPPRXYURRJJMBQ-PDOICOKGSA-N	1	0	366.477	1.352	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(COC)cc2)C[C@@H]1O	ZINC001083470764	842636033	/nfs/dbraw/zinc/63/60/33/842636033.db2.gz	MMJHXUGGWNOQEX-ZRNYENFQSA-N	1	0	374.481	1.476	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc(C)nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105661029	842650690	/nfs/dbraw/zinc/65/06/90/842650690.db2.gz	CQGZGPHDYYRFDR-ANTGDGSKSA-N	1	0	370.497	1.696	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCc3ccncc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105662008	842732365	/nfs/dbraw/zinc/73/23/65/842732365.db2.gz	LYUNHHIMSAANQQ-UKAVVXHISA-N	1	0	371.481	1.198	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCn3cccc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105661921	842746513	/nfs/dbraw/zinc/74/65/13/842746513.db2.gz	LQNYOWIMEJBBKM-VURPSTOHSA-N	1	0	357.498	1.868	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CSC(C)C)C2	ZINC001112260567	843046452	/nfs/dbraw/zinc/04/64/52/843046452.db2.gz	LMZAPJGLAHYZMS-YJBOKZPZSA-N	1	0	353.532	1.649	20	30		FDEDRO
N#C[C@@H]1CCC[C@@H]1NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000461959261	843252729	/nfs/dbraw/zinc/25/27/29/843252729.db2.gz	NNACYEFZDPVNAH-RDGPPVDQSA-N	1	0	356.470	1.861	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N[C@@H]2CCC[C@@H]2C#N)c1	ZINC000461965944	843259939	/nfs/dbraw/zinc/25/99/39/843259939.db2.gz	ZVCZSUXNUMYZFL-IAGOWNOFSA-N	1	0	357.458	1.469	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc(OC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667226	843545344	/nfs/dbraw/zinc/54/53/44/843545344.db2.gz	PSJSGICKBUDYAY-VGUOSERISA-N	1	0	371.481	1.693	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCC#N)C2)[C@H]1C(C)C	ZINC001105668409	843794715	/nfs/dbraw/zinc/79/47/15/843794715.db2.gz	WVHDSSNGHAQWDB-PSBWJHGTSA-N	1	0	350.507	1.208	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC(N2C[C@H]([NH2+][C@H]3CCC[C@H](C#N)C3)CC2=O)C1	ZINC000898528061	844818656	/nfs/dbraw/zinc/81/86/56/844818656.db2.gz	FNYAKCKNGFWAQS-SOUVJXGZSA-N	1	0	362.474	1.879	20	30		FDEDRO
Cc1nc[nH]c(=O)c1C(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H]1C	ZINC001088808477	844904552	/nfs/dbraw/zinc/90/45/52/844904552.db2.gz	IYCKKWRPFOKQHF-CJNGLKHVSA-N	1	0	351.410	1.755	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+][C@@H]3CCc4ncc(Br)n4C3)cnc12	ZINC000898726086	845111988	/nfs/dbraw/zinc/11/19/88/845111988.db2.gz	XNVXQFRBTQTMBH-GFCCVEGCSA-N	1	0	372.230	1.665	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCOCCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105672865	845223619	/nfs/dbraw/zinc/22/36/19/845223619.db2.gz	DEYPGFFGYJZOAW-HNBVOPMISA-N	1	0	366.502	1.029	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCC(N)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105674564	845499648	/nfs/dbraw/zinc/49/96/48/845499648.db2.gz	ZMCSVITWEUIDKI-DTDBQYNISA-N	1	0	371.909	1.361	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CNC(=O)C3CCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105675964	845800386	/nfs/dbraw/zinc/80/03/86/845800386.db2.gz	SMYXGAOQAAFFCY-CIWUYKSXSA-N	1	0	363.502	1.055	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000899125352	845828128	/nfs/dbraw/zinc/82/81/28/845828128.db2.gz	YQHDOBXBOQQFDU-FUMNGEBKSA-N	1	0	355.482	1.971	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C(C)C)cc2)C[C@@H]1O	ZINC001083535648	846921660	/nfs/dbraw/zinc/92/16/60/846921660.db2.gz	CZDQIVXKSMYJJU-HKBOAZHASA-N	1	0	369.509	1.569	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)[C@@H](O)C1	ZINC001083538406	847007415	/nfs/dbraw/zinc/00/74/15/847007415.db2.gz	XACZMQHVKMRYMD-WCXIOVBPSA-N	1	0	362.474	1.015	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4occ5c4CCC5)[C@@H]3C2)C1=O	ZINC001076088304	847249908	/nfs/dbraw/zinc/24/99/08/847249908.db2.gz	CMXWYFMWEGYNNN-JCGIZDLHSA-N	1	0	369.465	1.702	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C5CC5)on4)[C@@H]3C2)C1=O	ZINC001076099122	847282057	/nfs/dbraw/zinc/28/20/57/847282057.db2.gz	LDLKRBSRQFIKSA-BHYGNILZSA-N	1	0	370.453	1.485	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](CNc3cncc(C#N)n3)C2)CC[N@@H+]1C	ZINC001060099440	847282200	/nfs/dbraw/zinc/28/22/00/847282200.db2.gz	ZYIQQFJSPMHQRX-HYVNUMGLSA-N	1	0	356.474	1.729	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCc4ccccn4)[C@@H]3C2)C1=O	ZINC001076124861	847350579	/nfs/dbraw/zinc/35/05/79/847350579.db2.gz	UORALROMKHNBEI-YTQUADARSA-N	1	0	368.481	1.334	20	30		FDEDRO
CN1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1=O	ZINC001076151116	847396116	/nfs/dbraw/zinc/39/61/16/847396116.db2.gz	IIQKFLOQCNGSIC-RCCFBDPRSA-N	1	0	352.438	1.069	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc[nH]c4CCC)[C@@H]3C2)C1=O	ZINC001076159184	847420951	/nfs/dbraw/zinc/42/09/51/847420951.db2.gz	WRQVXNXCXMMAJT-ZYSHUDEJSA-N	1	0	370.497	1.900	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc[nH]c4C4CC4)[C@@H]3C2)C1=O	ZINC001076185026	847506497	/nfs/dbraw/zinc/50/64/97/847506497.db2.gz	FOCNXFUSEUGCLU-CGTJXYLNSA-N	1	0	368.481	1.825	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C)nc4C)C[C@H]32)nn1	ZINC001076334977	847878790	/nfs/dbraw/zinc/87/87/90/847878790.db2.gz	SPAPIGCWVDMBHE-PKOBYXMFSA-N	1	0	366.469	1.822	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccnc(C)c4)[C@@H]3C2)C1=O	ZINC001076382016	847998100	/nfs/dbraw/zinc/99/81/00/847998100.db2.gz	YEHXGGFSJVKVMX-RCCFBDPRSA-N	1	0	354.454	1.323	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ncccc4F)[C@@H]3C2)C1=O	ZINC001076400263	848060247	/nfs/dbraw/zinc/06/02/47/848060247.db2.gz	UNVZUKJUOGJWHS-CWRNSKLLSA-N	1	0	358.417	1.154	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](C[C@H]4CCNC(=O)CC4)C[C@H]32)nc1	ZINC001076475860	848240197	/nfs/dbraw/zinc/24/01/97/848240197.db2.gz	JLNYQDYOLSEGKA-ZIFCJYIRSA-N	1	0	366.465	1.126	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(CO)cc4)C[C@H]32)cn1	ZINC001076476909	848241669	/nfs/dbraw/zinc/24/16/69/848241669.db2.gz	HNHJBMYHMOEXBA-PZJWPPBQSA-N	1	0	361.445	1.902	20	30		FDEDRO
C=C(Cl)CN1C[C@@H]2CCN(C(=O)c3cccc(-n4cnnn4)c3)[C@@H]2C1	ZINC001076556321	848420742	/nfs/dbraw/zinc/42/07/42/848420742.db2.gz	CVQFVEBRLSDFCM-GOEBONIOSA-N	1	0	358.833	1.561	20	30		FDEDRO
Cn1cc(CCC(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)cn1	ZINC001076602998	848546915	/nfs/dbraw/zinc/54/69/15/848546915.db2.gz	LWZNYWWMPUHCEM-VQTJNVASSA-N	1	0	363.465	1.957	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN([C@@H](C)c4ncccn4)C[C@H]32)CC1	ZINC001076605509	848555572	/nfs/dbraw/zinc/55/55/72/848555572.db2.gz	DNNQMWFFTUYHCW-YTQUADARSA-N	1	0	367.497	1.416	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(Cc4cncs4)C[C@H]32)CC1	ZINC001076605842	848557318	/nfs/dbraw/zinc/55/73/18/848557318.db2.gz	VYGYNRFVZKZCON-FUHWJXTLSA-N	1	0	358.511	1.521	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)C[NH+](CC)CC	ZINC001076706196	848811714	/nfs/dbraw/zinc/81/17/14/848811714.db2.gz	VKSNPMFKOKKUCB-BQFCYCMXSA-N	1	0	353.507	1.711	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H](C)CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)c1	ZINC001076752563	848963789	/nfs/dbraw/zinc/96/37/89/848963789.db2.gz	SSJVQYHFYSTBLR-JCGIZDLHSA-N	1	0	356.470	1.418	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1	ZINC000483129946	849319354	/nfs/dbraw/zinc/31/93/54/849319354.db2.gz	MUCIHRKEYMJRNL-SJLPKXTDSA-N	1	0	359.470	1.599	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1	ZINC001077014232	849546730	/nfs/dbraw/zinc/54/67/30/849546730.db2.gz	KSVPBHBNJQMHJF-BRSBDYLESA-N	1	0	358.486	1.281	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(Cc3cccc(C#N)c3)C[C@H]2O)C1	ZINC001077128711	849842853	/nfs/dbraw/zinc/84/28/53/849842853.db2.gz	BIAOSHGDEZLFQX-XUVXKRRUSA-N	1	0	370.497	1.197	20	30		FDEDRO
CO[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000483731067	849902240	/nfs/dbraw/zinc/90/22/40/849902240.db2.gz	QZVBTWUFINFOJQ-ZBFHGGJFSA-N	1	0	361.446	1.051	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1O	ZINC001077246833	850237526	/nfs/dbraw/zinc/23/75/26/850237526.db2.gz	JCEYFKJNQCJWOG-CGTJXYLNSA-N	1	0	360.454	1.453	20	30		FDEDRO
Cn1ncc(-c2noc(C3CC4(C3)C[NH2+]C[C@@H]4C#N)n2)c1Br	ZINC000904111940	850965350	/nfs/dbraw/zinc/96/53/50/850965350.db2.gz	NWTRFJAJRMUUJU-PUUHTONNSA-N	1	0	363.219	1.839	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H](C[C@H]2COCCO2)C(F)(F)F)CC1	ZINC000668369758	851049421	/nfs/dbraw/zinc/04/94/21/851049421.db2.gz	DPTYPHVRTWLNFD-KBPBESRZSA-N	1	0	350.381	1.737	20	30		FDEDRO
CCc1nc(C#N)cc(N2CCCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1	ZINC001060185281	851538257	/nfs/dbraw/zinc/53/82/57/851538257.db2.gz	VBBGJJDJFHHZKK-HYVNUMGLSA-N	1	0	370.501	1.726	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N(CC[NH3+])Cc1ccccc1	ZINC000904964513	851558745	/nfs/dbraw/zinc/55/87/45/851558745.db2.gz	MMWJZGNFJQLFMM-UHFFFAOYSA-N	1	0	356.451	1.566	20	30		FDEDRO
CSCC[C@H](C(=O)NCC#CC[NH+](C)C)N1C(=O)c2ccccc2C1=O	ZINC000913514653	862293838	/nfs/dbraw/zinc/29/38/38/862293838.db2.gz	XVYYSAJIYTZDQB-MRXNPFEDSA-N	1	0	373.478	1.086	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)COc1ccc(I)cc1	ZINC000913515089	862294999	/nfs/dbraw/zinc/29/49/99/862294999.db2.gz	IFPPFGFVFJRJBK-UHFFFAOYSA-N	1	0	372.206	1.351	20	30		FDEDRO
C#CCC[C@@H](O)C[NH2+]C[C@]1(O)CCCN(C(=O)OCc2ccccc2)C1	ZINC000905365345	851892363	/nfs/dbraw/zinc/89/23/63/851892363.db2.gz	OLFKMAMWGKISRK-UYAOXDASSA-N	1	0	360.454	1.514	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1	ZINC000913515463	862295691	/nfs/dbraw/zinc/29/56/91/862295691.db2.gz	YDSYHYCXNOLNJP-UHFFFAOYSA-N	1	0	351.472	1.058	20	30		FDEDRO
COc1ccc(C(=O)NCC#CC[NH+](C)C)cc1I	ZINC000913519671	862303876	/nfs/dbraw/zinc/30/38/76/862303876.db2.gz	JPBKUGITSVDIOB-UHFFFAOYSA-N	1	0	372.206	1.595	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H](O)Cc2ccccc2F)cc1	ZINC000905471881	851970130	/nfs/dbraw/zinc/97/01/30/851970130.db2.gz	IFCALECPODQIIX-ZWKOTPCHSA-N	1	0	358.413	1.825	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]CCN2CCc3ccccc32)c1	ZINC000905574853	852047139	/nfs/dbraw/zinc/04/71/39/852047139.db2.gz	DRICYAWERMBIIE-UHFFFAOYSA-N	1	0	355.463	1.984	20	30		FDEDRO
Cn1cc([C@@]2(C[NH2+]C[C@H](O)COc3ccc(C#N)cc3)CCCO2)cn1	ZINC000905688015	852145144	/nfs/dbraw/zinc/14/51/44/852145144.db2.gz	SAVSKGHQUFUDQM-HKUYNNGSSA-N	1	0	356.426	1.327	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]CC1(c2ccccc2)CC(O)(C(F)(F)F)C1	ZINC000905697067	852219938	/nfs/dbraw/zinc/21/99/38/852219938.db2.gz	QKUWIOPFZZVDMU-UHFFFAOYSA-N	1	0	354.372	1.741	20	30		FDEDRO
CC(=O)CCn1cc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nn1	ZINC000906254199	852703057	/nfs/dbraw/zinc/70/30/57/852703057.db2.gz	BYXVNWZFYCRMJJ-UHFFFAOYSA-N	1	0	366.469	1.837	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1	ZINC000163754479	862410561	/nfs/dbraw/zinc/41/05/61/862410561.db2.gz	HKZKYFDOLPYTAR-UHFFFAOYSA-N	1	0	355.438	1.079	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(C(=O)Cc2c(C)cc(C#N)cc2C)CC1	ZINC000906579320	853043203	/nfs/dbraw/zinc/04/32/03/853043203.db2.gz	CUMCZWIBZRYKIL-UHFFFAOYSA-N	1	0	366.465	1.001	20	30		FDEDRO
N#C[C@@]1(C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)CC2CCC1CC2	ZINC000906672525	853139885	/nfs/dbraw/zinc/13/98/85/853139885.db2.gz	CZMWWOVBVPVVDL-NGICGMGXSA-N	1	0	372.513	1.863	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CCC(C(C)(C)C[NH3+])CC2)c1	ZINC000906687978	853167277	/nfs/dbraw/zinc/16/72/77/853167277.db2.gz	APFYRYQGORRHKH-UHFFFAOYSA-N	1	0	357.454	1.861	20	30		FDEDRO
[NH3+]C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(C#Cc3cccs3)c2)C1	ZINC000906738730	853243087	/nfs/dbraw/zinc/24/30/87/853243087.db2.gz	IEEXSLUIEMJVKW-KOMQPUFPSA-N	1	0	353.447	1.940	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2c2nccs2)C1	ZINC001077446887	862444118	/nfs/dbraw/zinc/44/41/18/862444118.db2.gz	YDXTVJIVGNKRPC-QLFBSQMISA-N	1	0	350.488	1.239	20	30		FDEDRO
COC[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N	ZINC000906779463	853308171	/nfs/dbraw/zinc/30/81/71/853308171.db2.gz	JPEKGZYPUPYNMG-LLVKDONJSA-N	1	0	364.471	1.303	20	30		FDEDRO
C[NH+](C)CC1CN(S(=O)(=O)c2ccc(Br)c(C#N)c2)C1	ZINC000907217460	853941466	/nfs/dbraw/zinc/94/14/66/853941466.db2.gz	RIDKVVLTACVQEJ-UHFFFAOYSA-N	1	0	358.261	1.503	20	30		FDEDRO
O=C(N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O)c1ccn2c[nH+]cc2c1	ZINC001083607166	853944698	/nfs/dbraw/zinc/94/46/98/853944698.db2.gz	JKPYDVJKRPISGW-UXHICEINSA-N	1	0	360.417	1.161	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c(F)c1	ZINC000908005631	854892752	/nfs/dbraw/zinc/89/27/52/854892752.db2.gz	CYXNLJNNDANMKB-IAGOWNOFSA-N	1	0	367.446	1.058	20	30		FDEDRO
CC(C)[NH+]1CCN(CCC(=O)N2CCC(C#N)(c3ccccn3)CC2)CC1	ZINC000908015352	854912110	/nfs/dbraw/zinc/91/21/10/854912110.db2.gz	BBFNBQHYENJGDS-UHFFFAOYSA-N	1	0	369.513	1.881	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)C(=O)C(F)(F)c1ccccc1C#N	ZINC000908238765	855221273	/nfs/dbraw/zinc/22/12/73/855221273.db2.gz	DGSSLFGXVMZKCN-UHFFFAOYSA-N	1	0	352.429	1.992	20	30		FDEDRO
C=CCn1c(-c2cc[nH]n2)nnc1N1CCN(c2cc[nH+]cc2)[C@H](C)C1	ZINC000908695603	855685404	/nfs/dbraw/zinc/68/54/04/855685404.db2.gz	RKHFEZXZPOCQKZ-CQSZACIVSA-N	1	0	350.430	1.964	20	30		FDEDRO
C#CCCCc1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CC=C	ZINC000908722228	855701803	/nfs/dbraw/zinc/70/18/03/855701803.db2.gz	DCZQPKBVUVIVHD-SFHVURJKSA-N	1	0	357.502	1.969	20	30		FDEDRO
C=CCn1c(-c2ncon2)nnc1N1CC[NH+](CC2CCOCC2)CC1	ZINC000908732131	855726474	/nfs/dbraw/zinc/72/64/74/855726474.db2.gz	HVAVNXGVVBQVRX-UHFFFAOYSA-N	1	0	359.434	1.063	20	30		FDEDRO
C=CCn1c(-c2ccc(=O)n(C)c2)nnc1N1CC[NH+](C2CCC2)CC1	ZINC000908741479	855738991	/nfs/dbraw/zinc/73/89/91/855738991.db2.gz	KWSVVECRDWUTFF-UHFFFAOYSA-N	1	0	354.458	1.504	20	30		FDEDRO
C#CCCCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CC=C	ZINC000908726512	855754663	/nfs/dbraw/zinc/75/46/63/855754663.db2.gz	IRCSAFYMOQLSFC-QGZVFWFLSA-N	1	0	370.501	1.163	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H](C)c2cccc(C)c2)C[C@H]1OC	ZINC001212152245	862791055	/nfs/dbraw/zinc/79/10/55/862791055.db2.gz	LAVRGSUECOSQFB-KBAYOESNSA-N	1	0	357.454	1.011	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)Cc2cc(C#N)cs2)[C@@H](C)C1	ZINC000910665555	857481984	/nfs/dbraw/zinc/48/19/84/857481984.db2.gz	SCSGBDFSBKSWHW-XJKSGUPXSA-N	1	0	362.499	1.767	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1	ZINC000910706459	857550791	/nfs/dbraw/zinc/55/07/91/857550791.db2.gz	FCVJJNIILFCKLW-GOEBONIOSA-N	1	0	360.483	1.521	20	30		FDEDRO
C[C@H]1CCCN(C(=O)C(=O)N(c2ccc(C#N)cn2)[C@H]2CCC[NH2+]C2)C1	ZINC000910858375	857787645	/nfs/dbraw/zinc/78/76/45/857787645.db2.gz	NFTMWVPSBIRJNU-HOCLYGCPSA-N	1	0	355.442	1.297	20	30		FDEDRO
N#Cc1ccc(N(C(=O)C(=O)NCCCC2CC2)[C@@H]2CCC[NH2+]C2)nc1	ZINC000910858575	857787811	/nfs/dbraw/zinc/78/78/11/857787811.db2.gz	OYUZEGQHFJHOLM-MRXNPFEDSA-N	1	0	355.442	1.345	20	30		FDEDRO
C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CC[NH+](C(C)(C)COC)CC1	ZINC000669336266	863003322	/nfs/dbraw/zinc/00/33/22/863003322.db2.gz	CUJXYPJRSRBBLZ-UHFFFAOYSA-N	1	0	374.493	1.197	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2)C(C)C	ZINC000911204152	858308552	/nfs/dbraw/zinc/30/85/52/858308552.db2.gz	VJTAXLLUGAFPOF-FXAWDEMLSA-N	1	0	362.518	1.156	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]CC2)CC1	ZINC000911315795	858485395	/nfs/dbraw/zinc/48/53/95/858485395.db2.gz	PKXPWFDQNCCAQA-SZMVWBNQSA-N	1	0	363.502	1.322	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21	ZINC000911578695	858805973	/nfs/dbraw/zinc/80/59/73/858805973.db2.gz	ILVVINNWCMLPPX-UZLBHIALSA-N	1	0	357.454	1.783	20	30		FDEDRO
N#CCCN(C(=O)CCC(=O)NCC[NH+]1CCSCC1)c1ccccc1	ZINC000489017882	859057691	/nfs/dbraw/zinc/05/76/91/859057691.db2.gz	UDXMEANQCJPZAF-UHFFFAOYSA-N	1	0	374.510	1.878	20	30		FDEDRO
O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccc(C#CCO)c1	ZINC000912386031	859669240	/nfs/dbraw/zinc/66/92/40/859669240.db2.gz	VGKYUUSTBBXJDN-NRFANRHFSA-N	1	0	364.445	1.527	20	30		FDEDRO
CC(C)[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC[N@@H+]1C	ZINC000489330970	859693486	/nfs/dbraw/zinc/69/34/86/859693486.db2.gz	POWRQGOMEDPOGN-MOPGFXCFSA-N	1	0	368.481	1.848	20	30		FDEDRO
Cc1noc(C)c1CNC(NCCCN1CCOCC1)=[NH+]C(C)(C)C	ZINC000912507013	859831557	/nfs/dbraw/zinc/83/15/57/859831557.db2.gz	SQECPZFDTLQNMY-UHFFFAOYSA-N	1	0	351.495	1.847	20	30		FDEDRO
C=CCn1c(-c2cn(C)nn2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1	ZINC000669037101	860940223	/nfs/dbraw/zinc/94/02/23/860940223.db2.gz	AERFRONCPZSCDB-AWEZNQCLSA-N	1	0	356.478	1.570	20	30		FDEDRO
C=CCn1c(-c2ncccn2)nnc1N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000669053862	861147654	/nfs/dbraw/zinc/14/76/54/861147654.db2.gz	NTDUABYSOVXYGR-HNNXBMFYSA-N	1	0	357.462	1.468	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2coc(CCC)n2)C[C@H]1C	ZINC001106873091	881663235	/nfs/dbraw/zinc/66/32/35/881663235.db2.gz	SFQQEHYRRSKEBV-RBSFLKMASA-N	1	0	360.458	1.063	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCOCC)C[C@H]1C	ZINC001105866038	863539609	/nfs/dbraw/zinc/53/96/09/863539609.db2.gz	SSWUYAVCCLXBCM-QZTJIDSGSA-N	1	0	365.518	1.688	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C)nn2C)C[C@H]1C	ZINC001105878869	863603654	/nfs/dbraw/zinc/60/36/54/863603654.db2.gz	DRDCMZPWGVZNGY-ZWNOBZJWSA-N	1	0	355.280	1.935	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000761025648	863787680	/nfs/dbraw/zinc/78/76/80/863787680.db2.gz	RIMDYHUIZPBCCR-LBPRGKRZSA-N	1	0	360.389	1.267	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC000761027600	863794010	/nfs/dbraw/zinc/79/40/10/863794010.db2.gz	ZCXKQBCHOVGPHT-UONOGXRCSA-N	1	0	360.389	1.410	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(C)C)[C@H](C)C1	ZINC001105908884	863910486	/nfs/dbraw/zinc/91/04/86/863910486.db2.gz	BIVOQLMOOXUBNN-IXDOHACOSA-N	1	0	353.507	1.424	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(CC)CC)[C@H](C)C1	ZINC001105910191	863920540	/nfs/dbraw/zinc/92/05/40/863920540.db2.gz	QOCHVLXKPYZFHU-IXDOHACOSA-N	1	0	367.534	1.957	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccon2)[C@H](C)C1	ZINC001105910638	863925841	/nfs/dbraw/zinc/92/58/41/863925841.db2.gz	VVPVJNLQOQLCOO-QLFBSQMISA-N	1	0	364.446	1.278	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)COCCC)C[C@H]1C	ZINC001105910769	863925884	/nfs/dbraw/zinc/92/58/84/863925884.db2.gz	XVXPHFUOBPUWOB-KZNAEPCWSA-N	1	0	367.534	1.910	20	30		FDEDRO
CC[NH+]=C(NCCN1C(=O)Cc2ccccc21)N1CC[C@@]2(CCOC2)C1	ZINC000158020020	863975841	/nfs/dbraw/zinc/97/58/41/863975841.db2.gz	ICQLGSJVQMGFEF-HXUWFJFHSA-N	1	0	356.470	1.654	20	30		FDEDRO
Cc1ccc([C@H](CN2CCOCC2)NC(=O)[C@@H]([NH3+])CCCCC#N)cc1	ZINC000594440260	863992567	/nfs/dbraw/zinc/99/25/67/863992567.db2.gz	BDHJUQAOYUHXNG-OALUTQOASA-N	1	0	358.486	1.896	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NCCCOCC)[C@H](C)C1	ZINC001105923788	864042145	/nfs/dbraw/zinc/04/21/45/864042145.db2.gz	HZYGQFDUPYZNFI-BRWVUGGUSA-N	1	0	353.507	1.568	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)N2CCCCC2)[C@H](C)C1	ZINC001105938294	864132457	/nfs/dbraw/zinc/13/24/57/864132457.db2.gz	OMZNDKKRMMTXLA-IXDOHACOSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)COC)C[C@H]1C	ZINC001105940076	864140942	/nfs/dbraw/zinc/14/09/42/864140942.db2.gz	MWLDHUWXDVVQMT-BRWVUGGUSA-N	1	0	351.491	1.154	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+][C@H](C)c2nc(COC)no2)[C@H](C)C1	ZINC001105941710	864150170	/nfs/dbraw/zinc/15/01/70/864150170.db2.gz	ISSALPJPSGYBRH-MGPQQGTHSA-N	1	0	352.435	1.164	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000761172804	864273703	/nfs/dbraw/zinc/27/37/03/864273703.db2.gz	BIMJLDMHTSDKHN-NHYWBVRUSA-N	1	0	360.389	1.265	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2CCC)[C@H](C)C1	ZINC001105981916	864327166	/nfs/dbraw/zinc/32/71/66/864327166.db2.gz	JJEWVGIPDVHHCK-HZPDHXFCSA-N	1	0	364.494	1.250	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@@H](C)CC)[C@H](C)C1	ZINC001105987427	864364326	/nfs/dbraw/zinc/36/43/26/864364326.db2.gz	HAMCLNJCWLTYMK-IXDOHACOSA-N	1	0	353.507	1.568	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCCC(=O)N2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088850316	864621700	/nfs/dbraw/zinc/62/17/00/864621700.db2.gz	KUZGJVDZODYJBZ-JLSDUUJJSA-N	1	0	354.454	1.696	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]C[C@@H](O)c1ccccc1	ZINC001106015808	864656440	/nfs/dbraw/zinc/65/64/40/864656440.db2.gz	LSDOCLHPFGSEGV-IDHHARJASA-N	1	0	352.438	1.918	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CO[C@H](C)CC)C[C@H]1C	ZINC001106020070	864709941	/nfs/dbraw/zinc/70/99/41/864709941.db2.gz	XZMYUSDKNRJNRB-KZNAEPCWSA-N	1	0	365.518	1.686	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC001106021113	864724581	/nfs/dbraw/zinc/72/45/81/864724581.db2.gz	QVWLGZHBRPQABN-HZPDHXFCSA-N	1	0	369.469	1.385	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)SC)C[C@H]1C	ZINC001106024417	864777973	/nfs/dbraw/zinc/77/79/73/864777973.db2.gz	FRAVFOMWYWRNSD-BZUAXINKSA-N	1	0	368.547	1.574	20	30		FDEDRO
CCN(C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C)C1CC1	ZINC001106029262	864877712	/nfs/dbraw/zinc/87/77/12/864877712.db2.gz	NOLPZYJTMASCEC-UKRRQHHQSA-N	1	0	357.458	1.195	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(CC)cc2)C[C@H]1OC	ZINC001212187120	864881827	/nfs/dbraw/zinc/88/18/27/864881827.db2.gz	KHJKEPJYNHHQLV-HSALFYBXSA-N	1	0	358.482	1.901	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2c(F)cccc2F)[C@H](C)C1	ZINC001106029464	864883717	/nfs/dbraw/zinc/88/37/17/864883717.db2.gz	SPFSMEBHRGUAQU-ZIAGYGMSSA-N	1	0	363.408	1.288	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CCc2ccccc2)C[C@H]1OC	ZINC001212187219	864900749	/nfs/dbraw/zinc/90/07/49/864900749.db2.gz	LNMCVKBCOPFSFC-VAMGGRTRSA-N	1	0	358.482	1.599	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)COCC(C)C)[C@H](C)C1	ZINC001106031074	864903383	/nfs/dbraw/zinc/90/33/83/864903383.db2.gz	PDJYNLHJEPKMAR-QRVBRYPASA-N	1	0	352.519	1.898	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]CC/C=C/c2ccccc2)[C@H](C)C1	ZINC001106034484	864912457	/nfs/dbraw/zinc/91/24/57/864912457.db2.gz	FFBRLHMLUDJMSL-ZPPSIVDRSA-N	1	0	367.493	1.914	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]CCOc2ccc(C)cc2)[C@H](C)C1	ZINC001106035570	864916315	/nfs/dbraw/zinc/91/63/15/864916315.db2.gz	SYGNZZBWYSTVME-QZTJIDSGSA-N	1	0	371.481	1.197	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nnc(C(C)C)o2)[C@H](C)C1	ZINC001106058569	865072046	/nfs/dbraw/zinc/07/20/46/865072046.db2.gz	FAVYVEYCSROSAF-LBTNJELSSA-N	1	0	350.463	1.704	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nc(C3CC3)nn2C)[C@H](C)C1	ZINC001106064797	865103509	/nfs/dbraw/zinc/10/35/09/865103509.db2.gz	IJYOQSGRQJLAMC-MUKKUYKPSA-N	1	0	361.490	1.204	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)Nc2ncccn2)[C@H](C)C1	ZINC001106065134	865105791	/nfs/dbraw/zinc/10/57/91/865105791.db2.gz	QREPYSZJIREZNY-OWCLPIDISA-N	1	0	357.458	1.291	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2cc(=O)c(OC)co2)[C@H](C)C1	ZINC001106064757	865108790	/nfs/dbraw/zinc/10/87/90/865108790.db2.gz	HINYVCWARAXYHJ-PJIJBLCYSA-N	1	0	364.442	1.160	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C2CC2)C2CC2)[C@H](C)C1	ZINC001106064722	865109415	/nfs/dbraw/zinc/10/94/15/865109415.db2.gz	FVWPHSAEXHTFHH-CRAIPNDOSA-N	1	0	359.514	1.779	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1	ZINC001060395142	865135446	/nfs/dbraw/zinc/13/54/46/865135446.db2.gz	UDQVSKYZIWUJHW-ZACQAIPSSA-N	1	0	351.491	1.274	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2)C[C@H]1OC	ZINC001212189075	865185709	/nfs/dbraw/zinc/18/57/09/865185709.db2.gz	QGWARYGHHYRVON-BHIYHBOVSA-N	1	0	360.454	1.045	20	30		FDEDRO
C=CCC(C)(C)C(=O)NC[C@H]1COCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001061591278	881874318	/nfs/dbraw/zinc/87/43/18/881874318.db2.gz	DDIWMVGNNYFGHP-YESZJQIVSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCc2ccccc2CC)C[C@H]1OC	ZINC001212193362	865944039	/nfs/dbraw/zinc/94/40/39/865944039.db2.gz	DDIFADGABFROBE-SFHLNBCPSA-N	1	0	360.498	1.934	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3ccccc3F)[C@H]2C)C1=O	ZINC001089016816	866045522	/nfs/dbraw/zinc/04/55/22/866045522.db2.gz	WHCWMRLZGWMTDV-JLSDUUJJSA-N	1	0	359.445	1.734	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1OC	ZINC001212194244	866046452	/nfs/dbraw/zinc/04/64/52/866046452.db2.gz	PYNKLNMQFUHHNC-LMMKCTJWSA-N	1	0	354.491	1.336	20	30		FDEDRO
COc1c(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)cnn1C	ZINC001089008029	866057379	/nfs/dbraw/zinc/05/73/79/866057379.db2.gz	KGYLZHZVAFDHGK-DYVFJYSZSA-N	1	0	353.426	1.693	20	30		FDEDRO
CC[C@H](CC(F)(F)F)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106887470	881936570	/nfs/dbraw/zinc/93/65/70/881936570.db2.gz	QZOZTYMJUVCYRA-JHJVBQTASA-N	1	0	362.396	1.289	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)c1	ZINC001089038369	866209958	/nfs/dbraw/zinc/20/99/58/866209958.db2.gz	ROPDSHYFFKBZEB-APWZRJJASA-N	1	0	368.481	1.281	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3cc(C)ns3)[C@@H]2C)CC1	ZINC001089059688	866385897	/nfs/dbraw/zinc/38/58/97/866385897.db2.gz	WBTVMDGEPPCLJS-QAPCUYQASA-N	1	0	360.527	1.876	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)c2occc2C[NH+](C)C)C1	ZINC000992028274	867248560	/nfs/dbraw/zinc/24/85/60/867248560.db2.gz	AFKOQSXIENNNCE-HOTGVXAUSA-N	1	0	361.442	1.263	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1	ZINC000992071763	867666518	/nfs/dbraw/zinc/66/65/18/867666518.db2.gz	UQEZRNQVPOBXDK-KURKYZTESA-N	1	0	363.502	1.558	20	30		FDEDRO
C=CCn1c(COCC)nnc1N1CCC(CC[NH+]2CCOCC2)CC1	ZINC000508847933	867781237	/nfs/dbraw/zinc/78/12/37/867781237.db2.gz	MBUGIBHKYPZUHZ-UHFFFAOYSA-N	1	0	363.506	1.939	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3N(C)C)C[C@H]2O)cc1	ZINC001077493708	867961887	/nfs/dbraw/zinc/96/18/87/867961887.db2.gz	HHSGQLGLQGEHQK-TZIWHRDSSA-N	1	0	363.461	1.709	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(N(C)C)c3)C[C@H]2O)cc1	ZINC001077494018	867974137	/nfs/dbraw/zinc/97/41/37/867974137.db2.gz	WMABNUHZHSPCJF-NHCUHLMSSA-N	1	0	363.461	1.709	20	30		FDEDRO
Cc1csc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2C)n1	ZINC001106099948	868056744	/nfs/dbraw/zinc/05/67/44/868056744.db2.gz	UHDBSUHVKMAEAD-UKRRQHHQSA-N	1	0	362.499	1.734	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]CCNC(=O)NC(C)(C)C)[C@H](C)C1	ZINC001106100092	868073483	/nfs/dbraw/zinc/07/34/83/868073483.db2.gz	YGMYNOBWJHNLMV-HZPDHXFCSA-N	1	0	350.507	1.428	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)CCC[C@@H]12	ZINC000992172181	868144992	/nfs/dbraw/zinc/14/49/92/868144992.db2.gz	NWRIMYCDCUZUCI-AXVVYFOYSA-N	1	0	363.502	1.702	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2CC[C@@]3(NC(=O)[C@H]4C[C@H]4C(N)=O)CCC[C@@H]23)c1	ZINC000992175111	868156358	/nfs/dbraw/zinc/15/63/58/868156358.db2.gz	FKIYESWJCUNNPQ-YZLZLFLDSA-N	1	0	352.438	1.293	20	30		FDEDRO
NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2	ZINC000992182429	868194915	/nfs/dbraw/zinc/19/49/15/868194915.db2.gz	ROFMQVUUQTYFTI-BMQTXXJKSA-N	1	0	351.450	1.273	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106108322	868269801	/nfs/dbraw/zinc/26/98/01/868269801.db2.gz	YEIPHAZKPYNUOC-IEBWSBKVSA-N	1	0	350.466	1.698	20	30		FDEDRO
N#Cc1ccccc1C[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[C@H]3C(N)=O)CCC[C@@H]12	ZINC000992204619	868333082	/nfs/dbraw/zinc/33/30/82/868333082.db2.gz	DQJOINYMWAMZSS-AXVVYFOYSA-N	1	0	352.438	1.293	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C#N)ccc2OC)C[C@@H]1C	ZINC000443354039	868460470	/nfs/dbraw/zinc/46/04/70/868460470.db2.gz	HZIXZDMUISJPER-DZGCQCFKSA-N	1	0	358.442	1.837	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)NC)[C@H](C)C2)cc1	ZINC001106113786	868469995	/nfs/dbraw/zinc/46/99/95/868469995.db2.gz	LOBKCCOCZALWCU-JFIYKMOQSA-N	1	0	371.481	1.521	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(CNC(=O)C23CCC[NH+]2CCC3)C1	ZINC000992245754	868568669	/nfs/dbraw/zinc/56/86/69/868568669.db2.gz	WWFZPXUZYCTLLH-BACDZXNISA-N	1	0	361.486	1.217	20	30		FDEDRO
C=CCCOCCCCC(=O)N1C[C@@H](C[NH2+]Cc2cnn(C)n2)[C@H](C)C1	ZINC001106123138	868884831	/nfs/dbraw/zinc/88/48/31/868884831.db2.gz	MFQIEPBPLHGAOP-IAGOWNOFSA-N	1	0	363.506	1.762	20	30		FDEDRO
C=CCCOCCCCC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1	ZINC001106123085	868885047	/nfs/dbraw/zinc/88/50/47/868885047.db2.gz	JEDPBJXJPBAAHJ-HZPDHXFCSA-N	1	0	364.494	1.157	20	30		FDEDRO
C=CCCOCCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC=C)[C@H](C)C1	ZINC001106123106	868885461	/nfs/dbraw/zinc/88/54/61/868885461.db2.gz	KIUHGVBXNNATTP-QZTJIDSGSA-N	1	0	365.518	1.736	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCC(N(CCO)C(=O)OC(C)(C)C)CC1	ZINC000913650571	869296969	/nfs/dbraw/zinc/29/69/69/869296969.db2.gz	FJDHKXZLTQCPAJ-UHFFFAOYSA-N	1	0	369.506	1.715	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N[C@@H]1CCCN(c2cnn(C)c2)C1	ZINC000151716814	869394232	/nfs/dbraw/zinc/39/42/32/869394232.db2.gz	XIRZMWKBONNYNX-XBVQOTNRSA-N	1	0	360.506	1.367	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)C[N@@H+](C)C(C)C)C1	ZINC001060420022	869488408	/nfs/dbraw/zinc/48/84/08/869488408.db2.gz	KXXHCTGXBZDCRU-ZACQAIPSSA-N	1	0	351.491	1.273	20	30		FDEDRO
N#CCC(=O)Nc1nc2ccccc2nc1NCC1(N2CCCC2)COC1	ZINC001168443391	869740521	/nfs/dbraw/zinc/74/05/21/869740521.db2.gz	HCCKNTDYDXUHOJ-UHFFFAOYSA-N	1	0	366.425	1.759	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C[C@H]1C	ZINC001106133668	870121156	/nfs/dbraw/zinc/12/11/56/870121156.db2.gz	ONUSWLMSQDACGS-MRVWCRGKSA-N	1	0	365.865	1.199	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccc(Cn3cncn3)cc2)CC1	ZINC000913970053	870172460	/nfs/dbraw/zinc/17/24/60/870172460.db2.gz	NBOYLOYHKGYFGT-UHFFFAOYSA-N	1	0	352.442	1.223	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000914016757	870359834	/nfs/dbraw/zinc/35/98/34/870359834.db2.gz	GLKIKERFEDPPKS-IRXDYDNUSA-N	1	0	363.483	1.458	20	30		FDEDRO
C#CCC1(NC(=O)NCc2ccc(N3CC[NH+](CC)CC3)nc2)CCC1	ZINC000914058585	870507661	/nfs/dbraw/zinc/50/76/61/870507661.db2.gz	BCGIEYUAEUCNLK-UHFFFAOYSA-N	1	0	355.486	1.969	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)Cc1c(C)cc(C#N)cc1C	ZINC000914056694	870524659	/nfs/dbraw/zinc/52/46/59/870524659.db2.gz	PKKICQZOTOOQIW-QGZVFWFLSA-N	1	0	365.499	1.705	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@H](S(N)(=O)=O)C1)C(C)C	ZINC000914125957	870941222	/nfs/dbraw/zinc/94/12/22/870941222.db2.gz	PZIMBMJILBFIDR-HOTGVXAUSA-N	1	0	372.535	1.148	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(S(=O)(=O)Cc2csc(C#N)c2)CC1	ZINC000914162163	871194059	/nfs/dbraw/zinc/19/40/59/871194059.db2.gz	KZQWPOJCASFXGS-UHFFFAOYSA-N	1	0	357.501	1.228	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(C)C)[C@H](C)C1	ZINC001106146592	871402343	/nfs/dbraw/zinc/40/23/43/871402343.db2.gz	FHGSKYJMZLHREB-TVFCKZIOSA-N	1	0	365.518	1.424	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2sccc2Cl)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106159491	871473175	/nfs/dbraw/zinc/47/31/75/871473175.db2.gz	UVYZLNYWDDYEBV-GHMZBOCLSA-N	1	0	354.863	1.339	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(C(=O)NC)cc2)C1	ZINC001033431532	882512937	/nfs/dbraw/zinc/51/29/37/882512937.db2.gz	FLPHQQGELXUGOO-OTWHNJEPSA-N	1	0	371.481	1.670	20	30		FDEDRO
CCC(=O)N[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1	ZINC001106164244	871500585	/nfs/dbraw/zinc/50/05/85/871500585.db2.gz	HSKJVBGXAKQEHV-IIDMSEBBSA-N	1	0	356.470	1.657	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc3c2CCCC3)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106170360	871561839	/nfs/dbraw/zinc/56/18/39/871561839.db2.gz	UYSUMHUSEGIPAK-NVXWUHKLSA-N	1	0	368.481	1.503	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCOCC)[C@H](C)C1	ZINC001106175471	871578847	/nfs/dbraw/zinc/57/88/47/871578847.db2.gz	FYAQFMFZMMQQJH-SJLPKXTDSA-N	1	0	365.518	1.592	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)CC2CCCCC2)[C@@H](n2ccnn2)C1	ZINC001128657151	882537109	/nfs/dbraw/zinc/53/71/09/882537109.db2.gz	PBUHHMQZOROFFU-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
C[NH+](C)CCOC1CCN(S(=O)(=O)Cc2csc(C#N)c2)CC1	ZINC000914179634	871725903	/nfs/dbraw/zinc/72/59/03/871725903.db2.gz	QITTXIWYHTXUHZ-UHFFFAOYSA-N	1	0	357.501	1.492	20	30		FDEDRO
C#CCN(C(=O)N[C@H](C)C1CCN(C(=O)OC)CC1)C1CC[NH+](C)CC1	ZINC000922067337	871764102	/nfs/dbraw/zinc/76/41/02/871764102.db2.gz	HZNIYFWJSFPGBY-OAHLLOKOSA-N	1	0	364.490	1.592	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2cc(C)on2)[C@@H](n2ccnn2)C1	ZINC001128662098	882565823	/nfs/dbraw/zinc/56/58/23/882565823.db2.gz	GCYVXKWZXNCADZ-SJORKVTESA-N	1	0	358.446	1.976	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)C4=CCCC4)C[C@]3(C)C2)CC1	ZINC000992786921	872201047	/nfs/dbraw/zinc/20/10/47/872201047.db2.gz	JPJRLTNVPAYHFN-SIKLNZKXSA-N	1	0	369.509	1.749	20	30		FDEDRO
C#CC[C@H](CO)[NH2+]Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000922141711	872408408	/nfs/dbraw/zinc/40/84/08/872408408.db2.gz	XRWCSPHTDIIYIQ-CABCVRRESA-N	1	0	363.462	1.324	20	30		FDEDRO
CC[NH+]1CCN(CCNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC1	ZINC000493821984	872410488	/nfs/dbraw/zinc/41/04/88/872410488.db2.gz	LEYYMLXKLRBFCW-LJQANCHMSA-N	1	0	358.486	1.715	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@]2(C)C1	ZINC000992813661	872498048	/nfs/dbraw/zinc/49/80/48/872498048.db2.gz	AWQKHBLDNZTFKP-KKVAFCGZSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2COCCN2CC)[C@H](OC)C1	ZINC001212495700	872517414	/nfs/dbraw/zinc/51/74/14/872517414.db2.gz	OAHMNYWQBZVZPO-KZNAEPCWSA-N	1	0	353.507	1.269	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2	ZINC001003081118	872526505	/nfs/dbraw/zinc/52/65/05/872526505.db2.gz	ACNBUTACMNUYLV-WKULXVSPSA-N	1	0	373.497	1.312	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C)cc1	ZINC000994413239	882646038	/nfs/dbraw/zinc/64/60/38/882646038.db2.gz	SRMKJBLVHKJOQT-XNFNUYLZSA-N	1	0	367.493	1.832	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1	ZINC001003225804	872814118	/nfs/dbraw/zinc/81/41/18/872814118.db2.gz	ZFMJYPFHDZAXPI-MSOLQXFVSA-N	1	0	368.437	1.504	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)[C@H](C)C1	ZINC001106183701	873077327	/nfs/dbraw/zinc/07/73/27/873077327.db2.gz	KENPDHIOHYRHNT-OWCLPIDISA-N	1	0	356.532	1.708	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2[nH]nc3c2cccc3OC)C[C@H]1C	ZINC001106187358	873191063	/nfs/dbraw/zinc/19/10/63/873191063.db2.gz	GRTWJMIOUAFFPE-HUUCEWRRSA-N	1	0	370.453	1.519	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC2(C)C)CC1	ZINC001003362955	873216014	/nfs/dbraw/zinc/21/60/14/873216014.db2.gz	IYEOROZBAJKMDY-TVFCKZIOSA-N	1	0	357.498	1.626	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](CC)OC)CC1	ZINC001003363180	873217531	/nfs/dbraw/zinc/21/75/31/873217531.db2.gz	NITURWGJQPTDLE-ZJPYXAASSA-N	1	0	361.486	1.005	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccnn2C2CCCC2)C[C@H]1C	ZINC001106190505	873249062	/nfs/dbraw/zinc/24/90/62/873249062.db2.gz	MKSLFYIHLVMYJX-HZPDHXFCSA-N	1	0	371.485	1.045	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnn3c2cccc3OC)C[C@H]1C	ZINC001106197356	873462985	/nfs/dbraw/zinc/46/29/85/873462985.db2.gz	SFISZDSPNSACCX-HZPDHXFCSA-N	1	0	370.453	1.290	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CC)[C@H](C)C1)OCC	ZINC001106197375	873466436	/nfs/dbraw/zinc/46/64/36/873466436.db2.gz	TXHBXFFLMDAEKU-KZNAEPCWSA-N	1	0	367.534	1.910	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](C[NH2+]Cc2nonc2C)[C@H](C)C1)OCC	ZINC001106197457	873467752	/nfs/dbraw/zinc/46/77/52/873467752.db2.gz	YDIXTXPLTOPTQT-FRFSOERESA-N	1	0	350.463	1.933	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000922183075	873527917	/nfs/dbraw/zinc/52/79/17/873527917.db2.gz	JLKKAUNWYTVSHX-INIZCTEOSA-N	1	0	355.442	1.053	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](C[NH2+]Cc2cn(CC)nn2)[C@H](C)C1)OCC	ZINC001106198529	873602517	/nfs/dbraw/zinc/60/25/17/873602517.db2.gz	DSYPHIFOXJGCKJ-JFIYKMOQSA-N	1	0	363.506	1.853	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(COC)CCCC2)C[C@H]1C	ZINC001106216762	873908715	/nfs/dbraw/zinc/90/87/15/873908715.db2.gz	CLFPZYXCCDCGBY-IXDOHACOSA-N	1	0	363.502	1.015	20	30		FDEDRO
N#Cc1cccc([C@@H]2CN(C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)CCO2)c1	ZINC000761683141	873969489	/nfs/dbraw/zinc/96/94/89/873969489.db2.gz	VPJWHHGMGFYXNZ-FHWLQOOXSA-N	1	0	370.453	1.504	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C(F)F)nc2)C[C@H]1C	ZINC001106226666	873987049	/nfs/dbraw/zinc/98/70/49/873987049.db2.gz	DHPUAFNIXKHCAL-UKRRQHHQSA-N	1	0	351.397	1.967	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]CC[C@H]3CCOC3)[C@H](C)C2)CCOCC1	ZINC001106234829	874044172	/nfs/dbraw/zinc/04/41/72/874044172.db2.gz	DLBCLFMWHJCBSE-CEXWTWQISA-N	1	0	362.514	1.917	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]C[C@@H](C)CS(C)(=O)=O)[C@H](C)C2)CCC1	ZINC001106236654	874063837	/nfs/dbraw/zinc/06/38/37/874063837.db2.gz	YKEUYMSWVZCVCS-BRWVUGGUSA-N	1	0	368.543	1.545	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)CCCn2ccnn2)C[C@H]1C	ZINC001106240514	874083254	/nfs/dbraw/zinc/08/32/54/874083254.db2.gz	CWVZRMNYJRSJDD-TZMCWYRMSA-N	1	0	370.295	1.651	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)CC(F)F)C[C@H]1C	ZINC001106240888	874083857	/nfs/dbraw/zinc/08/38/57/874083857.db2.gz	TXUFOSAJLIIYFO-MGPQQGTHSA-N	1	0	357.445	1.490	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]CCc2cnn(C)c2)[C@H](C)C1	ZINC001106252226	874144582	/nfs/dbraw/zinc/14/45/82/874144582.db2.gz	HHJZDIXGEMQOGU-SJLPKXTDSA-N	1	0	355.486	1.948	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2ccc3c(c2)NC(=O)C3)C[C@H]1C	ZINC001106263742	874240349	/nfs/dbraw/zinc/24/03/49/874240349.db2.gz	LMXLHKQPIBOACF-CRAIPNDOSA-N	1	0	369.465	1.058	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@]3(C)C2)C1	ZINC000993085449	874284535	/nfs/dbraw/zinc/28/45/35/874284535.db2.gz	MUFSOMYBOSXCMP-LAUBAEHRSA-N	1	0	359.514	1.991	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@]2(C)C1	ZINC000993097397	874374214	/nfs/dbraw/zinc/37/42/14/874374214.db2.gz	LDNDICWYZBYXPP-ZTQAJYAQSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cc(=O)[nH]c(C3CC3)n2)C[C@H]1C	ZINC001106288811	874507299	/nfs/dbraw/zinc/50/72/99/874507299.db2.gz	RYORARMLPJGQPL-UKRRQHHQSA-N	1	0	360.458	1.560	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106296971	874581091	/nfs/dbraw/zinc/58/10/91/874581091.db2.gz	MLLBQAWIPFMXAU-NVXWUHKLSA-N	1	0	350.422	1.532	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3cc(C)nc3C2)C[C@H]1C	ZINC001106317453	874746159	/nfs/dbraw/zinc/74/61/59/874746159.db2.gz	BEIMZYWRMBSLLL-KBAYOESNSA-N	1	0	360.502	1.641	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2coc(S(N)(=O)=O)c2)C[C@H]1C	ZINC001106333105	874819068	/nfs/dbraw/zinc/81/90/68/874819068.db2.gz	DOINTLBYGZINIU-TZMCWYRMSA-N	1	0	355.460	1.191	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(F)cc3ccoc32)C[C@H]1C	ZINC001106347042	874846879	/nfs/dbraw/zinc/84/68/79/874846879.db2.gz	HFWSZLAQNJWNTN-UKRRQHHQSA-N	1	0	371.412	1.619	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1C	ZINC001106386951	875021957	/nfs/dbraw/zinc/02/19/57/875021957.db2.gz	PROQPFPLIKKKQA-HZPDHXFCSA-N	1	0	364.490	1.603	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCCNC(N)=O)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106387721	875032444	/nfs/dbraw/zinc/03/24/44/875032444.db2.gz	UVJCGTUTCQLZLR-IEBWSBKVSA-N	1	0	370.497	1.561	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(Cl)ccc2F)C[C@H]1C	ZINC001106394682	875084632	/nfs/dbraw/zinc/08/46/32/875084632.db2.gz	GVNWQAXOXHJKES-CHWSQXEVSA-N	1	0	365.836	1.526	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(Cl)cn2C)C[C@H]1C	ZINC001106402812	875127265	/nfs/dbraw/zinc/12/72/65/875127265.db2.gz	GHEQQJXXVVTLTJ-MGPQQGTHSA-N	1	0	366.893	1.667	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2cncc(C)c2)C[C@H]1C	ZINC001106405335	875144162	/nfs/dbraw/zinc/14/41/62/875144162.db2.gz	VRBFVTQSIDWCQF-ZIFCJYIRSA-N	1	0	370.497	1.145	20	30		FDEDRO
CCN(CC)S(=O)(=O)c1ccc(N=NC2C[NH+]3CCC2CC3)nc1	ZINC000915049767	875333313	/nfs/dbraw/zinc/33/33/13/875333313.db2.gz	SRZYEMZEGFEHPO-UHFFFAOYSA-N	1	0	351.476	1.606	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C2)cc1	ZINC001106513049	875780478	/nfs/dbraw/zinc/78/04/78/875780478.db2.gz	ZZYBTZJWBZTASJ-CRAIPNDOSA-N	1	0	362.495	1.400	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@]3(C)C2)cn1	ZINC000993192381	875802957	/nfs/dbraw/zinc/80/29/57/875802957.db2.gz	RZNUMHDPNMTSBF-UTKZUKDTSA-N	1	0	366.465	1.079	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC2CC2)[C@H](C)C1	ZINC001106563718	875962754	/nfs/dbraw/zinc/96/27/54/875962754.db2.gz	JCIICBPTFONEER-RRFJBIMHSA-N	1	0	364.490	1.261	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](C[NH2+]CCN2CCCS2(=O)=O)[C@H](C)C1	ZINC001106567296	875975918	/nfs/dbraw/zinc/97/59/18/875975918.db2.gz	CLVXICPQKLKKFD-IXDOHACOSA-N	1	0	371.547	1.308	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccoc2C2CC2)C[C@H]1C	ZINC001106585643	876046391	/nfs/dbraw/zinc/04/63/91/876046391.db2.gz	MURRMGSSONNLEI-IJEWVQPXSA-N	1	0	357.454	1.593	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(CCC)cc2)C[C@H]1C	ZINC001106596382	876096926	/nfs/dbraw/zinc/09/69/26/876096926.db2.gz	VFEXPMUIALGXHK-VQIMIIECSA-N	1	0	355.482	1.686	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NCC=C)[C@H](C)C1	ZINC001106609711	876179999	/nfs/dbraw/zinc/17/99/99/876179999.db2.gz	LARYHGGSNHTVAM-HUUCEWRRSA-N	1	0	350.463	1.039	20	30		FDEDRO
N#Cc1cc(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC[C@H]3CCOC3)C2)c[nH]1	ZINC001099240640	876239846	/nfs/dbraw/zinc/23/98/46/876239846.db2.gz	OOQBOAIGLFPGHH-NILFDRSVSA-N	1	0	370.375	1.905	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2cc(C)ccc2C)C[C@H]1C	ZINC001106622837	876250825	/nfs/dbraw/zinc/25/08/25/876250825.db2.gz	SSLNHRZOSYTILQ-IEBWSBKVSA-N	1	0	355.482	1.279	20	30		FDEDRO
COC[C@@H](OC)C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccc(F)cc2)[C@H](C)C1	ZINC001106643866	876350677	/nfs/dbraw/zinc/35/06/77/876350677.db2.gz	MNIYWYRKUJRDGR-SZVBFZGTSA-N	1	0	362.445	1.523	20	30		FDEDRO
COC[C@H](OC)C(=O)N1C[C@@H](C[NH2+]Cc2cc(C#N)ccc2F)[C@H](C)C1	ZINC001106643600	876350734	/nfs/dbraw/zinc/35/07/34/876350734.db2.gz	MAEVXPHJWUHFJS-QBIMZIAESA-N	1	0	363.433	1.543	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]CC(=O)NC3CCOCC3)[C@H](C)C2)C1	ZINC001106647097	876380659	/nfs/dbraw/zinc/38/06/59/876380659.db2.gz	HRMWTXBGLLERKL-HZPDHXFCSA-N	1	0	363.502	1.322	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC3CCC3)[C@H](C)C2)c1	ZINC001106650801	876389256	/nfs/dbraw/zinc/38/92/56/876389256.db2.gz	DIUUWBJGOZJUHW-DNVCBOLYSA-N	1	0	368.481	1.277	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(=O)n2C)C[C@H]1C	ZINC001106652605	876395157	/nfs/dbraw/zinc/39/51/57/876395157.db2.gz	ADQZUFQNHWKGOP-DGCLKSJQSA-N	1	0	368.275	1.592	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC/C=C/c2ccccc2)C[C@H]1C	ZINC001106660159	876455029	/nfs/dbraw/zinc/45/50/29/876455029.db2.gz	DEURJZGEIBIYFX-ZPPSIVDRSA-N	1	0	367.493	1.914	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1C	ZINC001106661459	876463390	/nfs/dbraw/zinc/46/33/90/876463390.db2.gz	PVTZPELPUROWTO-WCXIOVBPSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1C	ZINC001106670384	876490500	/nfs/dbraw/zinc/49/05/00/876490500.db2.gz	CVKROHDWJDPWRK-RUZUBIRVSA-N	1	0	372.307	1.481	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(F)c(OC)c2)C[C@H]1C	ZINC001106688489	876567574	/nfs/dbraw/zinc/56/75/74/876567574.db2.gz	LXQPKBNPHUOSFZ-UKRRQHHQSA-N	1	0	363.433	1.434	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@H]2CN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C[C@@]2(C)C1	ZINC000993224266	876586149	/nfs/dbraw/zinc/58/61/49/876586149.db2.gz	MBLNQRFSHQJETR-DQLDELGASA-N	1	0	359.514	1.991	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)cc(F)c2)C[C@H]1C	ZINC001106692803	876591608	/nfs/dbraw/zinc/59/16/08/876591608.db2.gz	AYWLPYWWSLXBEF-HLLBOEOZSA-N	1	0	359.445	1.570	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc(F)c2Cl)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106697070	876597845	/nfs/dbraw/zinc/59/78/45/876597845.db2.gz	JTAPVAOLZWLJKM-VXGBXAGGSA-N	1	0	366.824	1.417	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2cc(F)c(F)cc2F)C[C@H]1C	ZINC001106701046	876611474	/nfs/dbraw/zinc/61/14/74/876611474.db2.gz	ZFMCLDYPUDQXOA-UKRRQHHQSA-N	1	0	368.399	1.980	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)C4(C)CCC4)C[C@]3(C)C2)CC1	ZINC000993233333	876631510	/nfs/dbraw/zinc/63/15/10/876631510.db2.gz	QDCILAODECWAHN-GCJKJVERSA-N	1	0	371.525	1.829	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C[NH2+]CCN2CCCS2(=O)=O)[C@H](C)C1	ZINC001106711300	876901277	/nfs/dbraw/zinc/90/12/77/876901277.db2.gz	QKIWKVZHCNXUQS-HZPDHXFCSA-N	1	0	371.547	1.308	20	30		FDEDRO
COCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1	ZINC001106726435	876993264	/nfs/dbraw/zinc/99/32/64/876993264.db2.gz	NOJPSWWIYORNDU-JTDSTZFVSA-N	1	0	359.470	1.794	20	30		FDEDRO
COCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1	ZINC001106726742	877006758	/nfs/dbraw/zinc/00/67/58/877006758.db2.gz	XVBCILXNWQEXEP-GPMSIDNRSA-N	1	0	359.470	1.794	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1	ZINC001003771320	877182627	/nfs/dbraw/zinc/18/26/27/877182627.db2.gz	GAUWAXZGJZLUHQ-KSZLIROESA-N	1	0	363.502	1.274	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]CC2CCOCC2)[C@H](C)C1	ZINC001106733805	877275882	/nfs/dbraw/zinc/27/58/82/877275882.db2.gz	HMKQGOYRYBBXFK-ATZDWAIDSA-N	1	0	365.518	1.568	20	30		FDEDRO
COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1csc(C#N)c1	ZINC000915748902	877318085	/nfs/dbraw/zinc/31/80/85/877318085.db2.gz	WFRPBHZMLQMHGW-UHFFFAOYSA-N	1	0	371.528	1.882	20	30		FDEDRO
C#CCN(C(=O)NCCCNC(=O)c1ccccc1)C1CC[NH+](C)CC1	ZINC000915789021	877369549	/nfs/dbraw/zinc/36/95/49/877369549.db2.gz	OVSNIVRZMHDLQN-UHFFFAOYSA-N	1	0	356.470	1.546	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@]2(C)C1	ZINC000993345402	877433578	/nfs/dbraw/zinc/43/35/78/877433578.db2.gz	RTGYHNQOEMWHPL-UQASEVPWSA-N	1	0	368.481	1.828	20	30		FDEDRO
Cc1nc(C(C)C)oc1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106747411	877445129	/nfs/dbraw/zinc/44/51/29/877445129.db2.gz	VIQQYHUCTHOGRJ-TZMCWYRMSA-N	1	0	361.446	1.044	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@]2(C)C1	ZINC000993347080	877462446	/nfs/dbraw/zinc/46/24/46/877462446.db2.gz	BRONDEQBPAZQAP-CKFHNAJUSA-N	1	0	355.442	1.228	20	30		FDEDRO
Cc1ccc([C@@H]2C[C@H]2C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)s1	ZINC001106748177	877479321	/nfs/dbraw/zinc/47/93/21/877479321.db2.gz	MOLYRBKUVSLVQP-DTZQCDIJSA-N	1	0	374.510	1.484	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]CCOC3CCC3)[C@H](C)C2)nn1	ZINC001106750179	877508180	/nfs/dbraw/zinc/50/81/80/877508180.db2.gz	RBLSLLXAXJRWIE-HZPDHXFCSA-N	1	0	361.490	1.721	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C(C)C)[C@H](C)C1	ZINC001106752993	877525012	/nfs/dbraw/zinc/52/50/12/877525012.db2.gz	YJFHWJBJYAYSJU-VXNCWWDNSA-N	1	0	365.518	1.519	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C2CC2)[C@H](C)C1	ZINC001106751580	877533191	/nfs/dbraw/zinc/53/31/91/877533191.db2.gz	KLCHKHVKEWUAIH-RRIFGTCXSA-N	1	0	363.502	1.273	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C[C@H]1C	ZINC001106752101	877535515	/nfs/dbraw/zinc/53/55/15/877535515.db2.gz	PKLIUFZIKRTRRD-RSPOEFSDSA-N	1	0	367.493	1.532	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106755119	877550796	/nfs/dbraw/zinc/55/07/96/877550796.db2.gz	MJORMCVFSBZIBM-SZVBFZGTSA-N	1	0	371.456	1.530	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@H]1CCCN(C(=O)[C@]23C[C@H]2COC3)C1	ZINC000999201527	912269946	/nfs/dbraw/zinc/26/99/46/912269946.db2.gz	HCPCFPAQJXWGKW-ZWOKBUDYSA-N	1	0	355.438	1.684	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CCS(=O)(=O)C2)C[C@H]1C(F)(F)F	ZINC001099275177	878036907	/nfs/dbraw/zinc/03/69/07/878036907.db2.gz	BKKCDILDVYJWGR-JHJVBQTASA-N	1	0	368.421	1.366	20	30		FDEDRO
C=C(Cl)CN1C[C@H]2OCCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@H]2C1	ZINC001083153125	912312987	/nfs/dbraw/zinc/31/29/87/912312987.db2.gz	NFTFJIPBLRYNKJ-BBWFWOEESA-N	1	0	353.894	1.525	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1	ZINC000282132170	878232347	/nfs/dbraw/zinc/23/23/47/878232347.db2.gz	UWOLYQKXCZPKSQ-JTQLQIEISA-N	1	0	370.331	1.463	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc3nsnc32)C[C@H]1C	ZINC001106823752	878397748	/nfs/dbraw/zinc/39/77/48/878397748.db2.gz	WJUAWFVHDOPJDW-ZIAGYGMSSA-N	1	0	358.467	1.639	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2noc3c2C[C@@H](C)CC3)C[C@H]1C	ZINC001106825136	878614007	/nfs/dbraw/zinc/61/40/07/878614007.db2.gz	BLVLFVXPGKJVIV-ARFHVFGLSA-N	1	0	359.470	1.747	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CCN(Cc2snnc2C)C1	ZINC001033087681	878854930	/nfs/dbraw/zinc/85/49/30/878854930.db2.gz	YFDWATDSRXJGLS-ZNMIVQPWSA-N	1	0	350.488	1.860	20	30		FDEDRO
CCc1nc(C#N)cc(N2CCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1	ZINC001061471800	878988462	/nfs/dbraw/zinc/98/84/62/878988462.db2.gz	PTTNPCOYHSXQOD-VNQPRFMTSA-N	1	0	356.474	1.336	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)CC1	ZINC000922761994	879203077	/nfs/dbraw/zinc/20/30/77/879203077.db2.gz	DWORILYIJODKDY-KZNAEPCWSA-N	1	0	373.501	1.777	20	30		FDEDRO
O=C([C@H]1CCCO1)N1CCN(C(NCCc2ccco2)=[NH+]C2CC2)CC1	ZINC000073775523	879686128	/nfs/dbraw/zinc/68/61/28/879686128.db2.gz	RTGBDLGKAZRIAO-QGZVFWFLSA-N	1	0	360.458	1.253	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C)C1	ZINC000993836779	879846844	/nfs/dbraw/zinc/84/68/44/879846844.db2.gz	GPRYTPBRKSCZDT-AHRSYUTCSA-N	1	0	367.493	1.515	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)c2ccccc2C[NH+](C)C)C1	ZINC000993878566	879946056	/nfs/dbraw/zinc/94/60/56/879946056.db2.gz	PEAHMMVEAMZRBD-OALUTQOASA-N	1	0	371.481	1.670	20	30		FDEDRO
C#CCCCCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]cn1	ZINC001061520262	879992953	/nfs/dbraw/zinc/99/29/53/879992953.db2.gz	WATYEEVRLUSDCC-BZUAXINKSA-N	1	0	358.442	1.050	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC2CCC(Nc3ccncc3C#N)CC2)CC[N@@H+]1C	ZINC001060630047	880289957	/nfs/dbraw/zinc/28/99/57/880289957.db2.gz	XGYURHARPCDRSP-BXNZUYAZSA-N	1	0	355.486	1.945	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC000994004866	880379486	/nfs/dbraw/zinc/37/94/86/880379486.db2.gz	RHGHORFUIWGQDA-RKVPGOIHSA-N	1	0	371.485	1.583	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)C[C@H]3C=CCC3)C[C@H]2C)CC1	ZINC000994133395	880731018	/nfs/dbraw/zinc/73/10/18/880731018.db2.gz	BDFHBJUJSXYYMF-WSTZPKSXSA-N	1	0	371.525	1.899	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@@H]1O	ZINC001083936725	912600651	/nfs/dbraw/zinc/60/06/51/912600651.db2.gz	YMKJOIUFQFBDLE-SJORKVTESA-N	1	0	357.454	1.922	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)c3cocc3C)C[C@H]2C)CC1	ZINC000994136671	880896170	/nfs/dbraw/zinc/89/61/70/880896170.db2.gz	NSUWWUZEBARJGG-CRAIPNDOSA-N	1	0	371.481	1.758	20	30		FDEDRO
C=C1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](CCc4cnn(C)c4)C[C@@H]32)CC1	ZINC001083183902	912620600	/nfs/dbraw/zinc/62/06/00/912620600.db2.gz	DJAJFMPSOUUFCF-RBUKOAKNSA-N	1	0	358.486	1.621	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1	ZINC000994218307	881058431	/nfs/dbraw/zinc/05/84/31/881058431.db2.gz	XPMLRZDXWQQSBM-UKRRQHHQSA-N	1	0	357.458	1.052	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ncoc2C(C)(C)C)C[C@H]1C	ZINC001106852829	881128355	/nfs/dbraw/zinc/12/83/55/881128355.db2.gz	SJQLNWQEYVVBRC-ZIAGYGMSSA-N	1	0	362.474	1.572	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC)[C@H](C)C1	ZINC001106858681	881140239	/nfs/dbraw/zinc/14/02/39/881140239.db2.gz	QCLRVSYSWZURFS-RBSFLKMASA-N	1	0	360.458	1.079	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CCC[N@H+]2C)nc1	ZINC001004738884	881173313	/nfs/dbraw/zinc/17/33/13/881173313.db2.gz	GNJAFBHSLYRLPF-NRSFXHEJSA-N	1	0	352.438	1.019	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2([NH+](C)C)CCC2)cn1	ZINC001004742156	881188898	/nfs/dbraw/zinc/18/88/98/881188898.db2.gz	KSQGUOQAKWGSRB-KURKYZTESA-N	1	0	366.465	1.409	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CC[N@@H+]4CCC[C@H]4C3)C2=O)cc1	ZINC000272733464	881190080	/nfs/dbraw/zinc/19/00/80/881190080.db2.gz	HHODWJDBMMMCAF-ZWKOTPCHSA-N	1	0	367.453	1.543	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC[NH+]([C@@H]2CCN(CC)C2=O)CC1	ZINC001005409803	883260214	/nfs/dbraw/zinc/26/02/14/883260214.db2.gz	LVXGMJDBGDUPCA-KURKYZTESA-N	1	0	363.502	1.511	20	30		FDEDRO
CCN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1	ZINC001033875768	883317078	/nfs/dbraw/zinc/31/70/78/883317078.db2.gz	ZUXCIGSSTJVUQQ-NSISKUIASA-N	1	0	370.497	1.700	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2cccc(CC#N)c2)CC1	ZINC000917546132	883517406	/nfs/dbraw/zinc/51/74/06/883517406.db2.gz	ZHPNUGIPBHOHOF-UHFFFAOYSA-N	1	0	351.472	1.266	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1	ZINC000917535173	883527263	/nfs/dbraw/zinc/52/72/63/883527263.db2.gz	ACJPJYZWAWHBKN-UHFFFAOYSA-N	1	0	373.425	1.350	20	30		FDEDRO
CO[C@@H]1CN([C@H](C)C(=O)NCc2ccccc2)C[C@H]1NC(=O)C#CC(C)C	ZINC001212228608	883540516	/nfs/dbraw/zinc/54/05/16/883540516.db2.gz	QUKOKDYHBNOWGH-BHIYHBOVSA-N	1	0	371.481	1.166	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)N1CCC(CO)([NH2+]C(C)C)CC1	ZINC000917554184	883543708	/nfs/dbraw/zinc/54/37/08/883543708.db2.gz	ZVZUHKQRYSQBSU-UHFFFAOYSA-N	1	0	351.472	1.380	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2ccc(CCC#N)cc2)CC1	ZINC000917552096	883543895	/nfs/dbraw/zinc/54/38/95/883543895.db2.gz	HZLISGXXHQLKSD-UHFFFAOYSA-N	1	0	365.499	1.656	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2cnc(C)[nH]2)[C@@H](n2ccnn2)C1	ZINC001128821331	883722556	/nfs/dbraw/zinc/72/25/56/883722556.db2.gz	RDTWGIFGXBTZRE-SJORKVTESA-N	1	0	359.478	1.935	20	30		FDEDRO
COc1ccc(CC[N@@H+]2C[C@@H](NC(=O)[C@@H](C)C#N)[C@@H](n3ccnn3)C2)cc1	ZINC001128835133	883806666	/nfs/dbraw/zinc/80/66/66/883806666.db2.gz	YZMCAGUQCNQHPU-QGTPRVQTSA-N	1	0	368.441	1.031	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCCC(=O)N2CCc3ccccc32)CC1	ZINC000918025607	883993823	/nfs/dbraw/zinc/99/38/23/883993823.db2.gz	MYFZEWKZCMOMFS-UHFFFAOYSA-N	1	0	368.481	1.753	20	30		FDEDRO
C[C@@H]1CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000498095364	884156396	/nfs/dbraw/zinc/15/63/96/884156396.db2.gz	QOECJZGZGOUVCN-QAPCUYQASA-N	1	0	356.470	1.753	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC(C)(C)C1	ZINC001089418894	884160842	/nfs/dbraw/zinc/16/08/42/884160842.db2.gz	BPKBUMVYTKEUJY-MCIONIFRSA-N	1	0	362.392	1.573	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](OC)C2CCC2)C[C@@H]1n1ccnn1	ZINC001128939458	884184990	/nfs/dbraw/zinc/18/49/90/884184990.db2.gz	RMLXGDJSHDYHJX-FGTMMUONSA-N	1	0	359.474	1.238	20	30		FDEDRO
Cc1cc(F)cc(C#N)c1S(=O)(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1	ZINC000918368469	884373059	/nfs/dbraw/zinc/37/30/59/884373059.db2.gz	KBMCVWZCXZMOLW-IRXDYDNUSA-N	1	0	351.447	1.968	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC(CC[NH2+][C@@H]2CCNC2=O)CC1	ZINC001034571998	884496556	/nfs/dbraw/zinc/49/65/56/884496556.db2.gz	BLHXDRGPZNYOTE-KSZLIROESA-N	1	0	363.502	1.465	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2C#N)CC1	ZINC001034668728	884644772	/nfs/dbraw/zinc/64/47/72/884644772.db2.gz	XTVBREUNSFDJHH-QZHFEQFPSA-N	1	0	357.454	1.879	20	30		FDEDRO
C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1	ZINC001034671621	884681452	/nfs/dbraw/zinc/68/14/52/884681452.db2.gz	UQZCIFLXHLWDOL-SYQHCUMBSA-N	1	0	350.381	1.926	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C(F)(F)F	ZINC001099332707	884731310	/nfs/dbraw/zinc/73/13/10/884731310.db2.gz	IUVIAAPUDPYCTO-VXGBXAGGSA-N	1	0	351.800	1.814	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCC(OCC[NH+](C)C)CC1	ZINC000498338870	884764153	/nfs/dbraw/zinc/76/41/53/884764153.db2.gz	AMUUXGQCZSAYSF-UHFFFAOYSA-N	1	0	361.442	1.515	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCCCCCC)C[C@@H]1n1ccnn1	ZINC001128988958	884801286	/nfs/dbraw/zinc/80/12/86/884801286.db2.gz	JDNGIYIMZVTYHW-KURKYZTESA-N	1	0	361.490	1.628	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@@H]1n1ccnn1	ZINC001128989195	884803300	/nfs/dbraw/zinc/80/33/00/884803300.db2.gz	MIKYVLSGZPHRHH-NXHRZFHOSA-N	1	0	359.474	1.238	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)C1	ZINC000999516538	912874838	/nfs/dbraw/zinc/87/48/38/912874838.db2.gz	RNPHKEGPUJMDLI-RDGPPVDQSA-N	1	0	357.498	1.770	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(C(N)=O)c2)CC1	ZINC001034736927	884942420	/nfs/dbraw/zinc/94/24/20/884942420.db2.gz	OJSDOKIYKRLDJA-MKXGPGLRSA-N	1	0	371.481	1.894	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccnc(OC)n2)CC1	ZINC001034737135	884944013	/nfs/dbraw/zinc/94/40/13/884944013.db2.gz	ROCQAPVKAVBXNO-SRABZTEZSA-N	1	0	360.458	1.593	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCc2ccnn2C)CC1	ZINC001034754513	884958584	/nfs/dbraw/zinc/95/85/84/884958584.db2.gz	NLIHLVCOJRNSIU-CAMMJAKZSA-N	1	0	360.502	1.961	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2ccn(CC)n2)[C@@H](n2ccnn2)C1	ZINC001129004557	884996877	/nfs/dbraw/zinc/99/68/77/884996877.db2.gz	TVBUTMYVVYKPRX-NXHRZFHOSA-N	1	0	371.489	1.433	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1n1ccnn1	ZINC001129014607	885124001	/nfs/dbraw/zinc/12/40/01/885124001.db2.gz	OJFCOZHZJJIRDK-ZNMIVQPWSA-N	1	0	367.881	1.435	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2c(C)nnn2CC)C1	ZINC000999539275	912910256	/nfs/dbraw/zinc/91/02/56/912910256.db2.gz	KRVUXJHBKHMBTM-OBQMCRIKSA-N	1	0	361.490	1.667	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2ccn(C)n2)[C@@H](n2ccnn2)C1	ZINC001129029330	885336023	/nfs/dbraw/zinc/33/60/23/885336023.db2.gz	BUDRVCDUYQQIGO-JQHSSLGASA-N	1	0	371.489	1.341	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)C[C@@H](OCC)C(=C)C)[C@@H](n2ccnn2)C1	ZINC001129030413	885349565	/nfs/dbraw/zinc/34/95/65/885349565.db2.gz	ZSZFEIATZKRAIY-FGTMMUONSA-N	1	0	361.490	1.957	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCO3)C[C@@H]2n2ccnn2)CCC1	ZINC001129049172	885538106	/nfs/dbraw/zinc/53/81/06/885538106.db2.gz	QQVOQKDJKJWUMD-KURKYZTESA-N	1	0	371.485	1.382	20	30		FDEDRO
CO[C@@H]1CN(Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)CC1(O)CCC1	ZINC001212239901	885615348	/nfs/dbraw/zinc/61/53/48/885615348.db2.gz	QVQAFZFFHUPFOD-IAGOWNOFSA-N	1	0	361.417	1.318	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)c2ccncc2)[C@@H](n2ccnn2)C1	ZINC001129064361	885650720	/nfs/dbraw/zinc/65/07/20/885650720.db2.gz	AUAQOLZQAJNFBD-NXHRZFHOSA-N	1	0	354.458	1.785	20	30		FDEDRO
CC1(C)C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+](CC#Cc2ccccc2)C1	ZINC001089492988	885662163	/nfs/dbraw/zinc/66/21/63/885662163.db2.gz	RXIAXMVPAWVBGY-OTWHNJEPSA-N	1	0	367.493	1.766	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2Cc3ccccc3O2)[C@@H](n2ccnn2)C1	ZINC001129093432	885720438	/nfs/dbraw/zinc/72/04/38/885720438.db2.gz	GZOMYDXMEYKSJD-ZIFCJYIRSA-N	1	0	367.453	1.590	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC000999579142	912988423	/nfs/dbraw/zinc/98/84/23/912988423.db2.gz	HZAZFMZFVBGRLQ-IJCAJFLPSA-N	1	0	369.469	1.478	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2c(C)nc[nH]c2=O)[C@@H](n2ccnn2)C1	ZINC001129180319	886020968	/nfs/dbraw/zinc/02/09/68/886020968.db2.gz	OIIWJWIKXJUBDA-CFVMTHIKSA-N	1	0	371.445	1.092	20	30		FDEDRO
C#CCCCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](CC)OC)C[C@@H]1n1ccnn1	ZINC001129180590	886024685	/nfs/dbraw/zinc/02/46/85/886024685.db2.gz	SPOSDCVORZMAMP-KSZLIROESA-N	1	0	361.490	1.628	20	30		FDEDRO
C[C@H](Nc1ccc(C#N)nn1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001061889103	886218340	/nfs/dbraw/zinc/21/83/40/886218340.db2.gz	AFAGZSMSFFTELE-JJRVBVJISA-N	1	0	356.474	1.727	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N[C@H](C)C(C)C)[C@H](C)C2)nc1	ZINC001106898244	886389371	/nfs/dbraw/zinc/38/93/71/886389371.db2.gz	ZVPDTNJJENUBCT-JFIYKMOQSA-N	1	0	370.497	1.521	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(C[NH+](CCO[C@H]3CC3(F)F)C2)CC1	ZINC001035801182	886484438	/nfs/dbraw/zinc/48/44/38/886484438.db2.gz	WEZWDGFYGZXBPJ-PMPSAXMXSA-N	1	0	370.440	1.926	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](COC)OC)[C@@H](n2ccnn2)C1	ZINC001129243557	886810904	/nfs/dbraw/zinc/81/09/04/886810904.db2.gz	SJCCSDISPRPTEI-IXDOHACOSA-N	1	0	367.494	1.251	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H](C)Oc2cccnc2)[C@@H](n2ccnn2)C1	ZINC001129253204	886874046	/nfs/dbraw/zinc/87/40/46/886874046.db2.gz	RGZIQCFADFHZHG-JQHSSLGASA-N	1	0	370.457	1.448	20	30		FDEDRO
CO[C@@H]1CN([C@H](C)C(=O)NCCC(C)C)C[C@H]1NC(=O)C#CC(C)(C)C	ZINC001212249166	886887921	/nfs/dbraw/zinc/88/79/21/886887921.db2.gz	YVPQMQFKRSHSJZ-BRWVUGGUSA-N	1	0	365.518	1.402	20	30		FDEDRO
C=CCCOCC(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001062257999	887018067	/nfs/dbraw/zinc/01/80/67/887018067.db2.gz	GJKJNMYRZPTBNT-BRWVUGGUSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC/C=C\CC)C[C@@H]1n1ccnn1	ZINC001129266780	887053918	/nfs/dbraw/zinc/05/39/18/887053918.db2.gz	QPLVVLDQORAVIQ-QXINXSKUSA-N	1	0	359.474	1.567	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCCN1C(=O)CC[NH+](C)C	ZINC001062338879	887059001	/nfs/dbraw/zinc/05/90/01/887059001.db2.gz	DOCLRCOEVIOJRF-ZACQAIPSSA-N	1	0	351.491	1.417	20	30		FDEDRO
C[C@@H]1C[NH+](CC2CCN(C(=O)CNc3ccc(C#N)cn3)CC2)C[C@@H](C)O1	ZINC000329032749	887168156	/nfs/dbraw/zinc/16/81/56/887168156.db2.gz	QEPIIUJBPYQISE-HZPDHXFCSA-N	1	0	371.485	1.713	20	30		FDEDRO
C[C@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)c1nnc2n1CCCC2	ZINC000330207750	887267842	/nfs/dbraw/zinc/26/78/42/887267842.db2.gz	GFPHXLHLQWZEEK-ZDUSSCGKSA-N	1	0	372.477	2.165	20	30		FDEDRO
N#Cc1ccc(NCC(=O)NCC2([NH+]3CCCCC3)CCOCC2)nc1	ZINC000328998181	887694028	/nfs/dbraw/zinc/69/40/28/887694028.db2.gz	WWGYACFTTYKXIJ-UHFFFAOYSA-N	1	0	357.458	2.357	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H](CC)c2nnc3n2CCCCC3)CC1	ZINC000921324478	887738448	/nfs/dbraw/zinc/73/84/48/887738448.db2.gz	ABIGGNGDDYQDJE-INIZCTEOSA-N	1	0	358.490	1.852	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1	ZINC000921350788	887767669	/nfs/dbraw/zinc/76/76/69/887767669.db2.gz	MGWCJHMMDIVQGB-QGZVFWFLSA-N	1	0	374.872	1.842	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCN(c2ncccc2F)C1)C1CC[NH+](C)CC1	ZINC000921405391	887895443	/nfs/dbraw/zinc/89/54/43/887895443.db2.gz	PSGVOXNBKNRREC-OAHLLOKOSA-N	1	0	359.449	1.538	20	30		FDEDRO
Cc1c(C#N)cccc1C(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1	ZINC000509301028	887911747	/nfs/dbraw/zinc/91/17/47/887911747.db2.gz	JPAKDUYIJKKPAK-UHFFFAOYSA-N	1	0	363.421	1.902	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCO[C@H]2c2ccncc2)cc1	ZINC001127554281	888046566	/nfs/dbraw/zinc/04/65/66/888046566.db2.gz	PKQDYFJEVLWOPH-MOPGFXCFSA-N	1	0	350.422	1.937	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@H]1OC	ZINC001212257389	888066630	/nfs/dbraw/zinc/06/66/30/888066630.db2.gz	ADBUUFUFAQGCSD-WOJBJXKFSA-N	1	0	356.466	1.531	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CCC)cc2)C[C@H]1OC	ZINC001212257923	888070819	/nfs/dbraw/zinc/07/08/19/888070819.db2.gz	KKPVHQIEWNWKCM-PWIZWCRZSA-N	1	0	358.482	1.993	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1CN([C@@H](C)c2cc(F)ccc2F)C[C@H]1OC	ZINC001212258756	888083811	/nfs/dbraw/zinc/08/38/11/888083811.db2.gz	ZSTOQMXYIVAGGC-MORSLUCNSA-N	1	0	366.408	1.881	20	30		FDEDRO
C#CCCN1CCN(C(=O)c2cc(OCC)c(OC)cc2[N+](=O)[O-])CC1	ZINC000064442571	888118904	/nfs/dbraw/zinc/11/89/04/888118904.db2.gz	CMMITQHJAJCSMD-UHFFFAOYSA-N	1	0	361.398	1.783	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](CCCCc2ccccc2)C[C@H]1OC	ZINC001212262417	888163680	/nfs/dbraw/zinc/16/36/80/888163680.db2.gz	NYTSPIRTYVJBFI-WOJBJXKFSA-N	1	0	358.482	1.865	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2ccnc2C)c1	ZINC001005976040	888304606	/nfs/dbraw/zinc/30/46/06/888304606.db2.gz	YEDBSASEFUFOFQ-KURKYZTESA-N	1	0	363.421	1.130	20	30		FDEDRO
C=CCN1CC[C@H]([NH+]2CCC(N(C)C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1=O	ZINC001006036037	888843755	/nfs/dbraw/zinc/84/37/55/888843755.db2.gz	PNXVTCKIUUPQIZ-BDXSIMOUSA-N	1	0	361.486	1.264	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)Cn2cccc(C)c2=O)[C@H](OC)C1	ZINC001212271962	888934730	/nfs/dbraw/zinc/93/47/30/888934730.db2.gz	HEUZZVNJFCEURT-QZTJIDSGSA-N	1	0	363.502	1.943	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2	ZINC000923336741	888937292	/nfs/dbraw/zinc/93/72/92/888937292.db2.gz	JKSOECSFFLPTTG-RBUKOAKNSA-N	1	0	355.482	1.972	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N(C)CCC[NH+]1CCCC1	ZINC000439382396	889029860	/nfs/dbraw/zinc/02/98/60/889029860.db2.gz	QAUOTFYLYBNSER-UHFFFAOYSA-N	1	0	367.457	2.397	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H]1C[NH2+]CC(=O)NCC#Cc1ccccc1	ZINC001106907506	889054972	/nfs/dbraw/zinc/05/49/72/889054972.db2.gz	OOAWBYDSORJERI-IEBWSBKVSA-N	1	0	369.509	1.885	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](N(C)C(=O)[C@]34C[C@H]3CCC4)C2)CC1	ZINC000938669507	889071639	/nfs/dbraw/zinc/07/16/39/889071639.db2.gz	MBKQTOVBDPQRSP-DBXWQHBBSA-N	1	0	357.498	1.581	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2COCC[C@@H]2c2ccccc2)C1=O	ZINC001127594326	889338770	/nfs/dbraw/zinc/33/87/70/889338770.db2.gz	LFZKVLOJBUPPPH-QRVBRYPASA-N	1	0	371.481	1.299	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)COc2cc(C)ccc2F)[C@H](OC)C1	ZINC001212282465	889373702	/nfs/dbraw/zinc/37/37/02/889373702.db2.gz	UIRVCVJRDBBEDN-SJLPKXTDSA-N	1	0	366.433	1.531	20	30		FDEDRO
C=CC[NH+]1CCC(N(C)C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1	ZINC001006115146	889495512	/nfs/dbraw/zinc/49/55/12/889495512.db2.gz	AZDGBNNMVFTHFH-PKOBYXMFSA-N	1	0	356.470	1.710	20	30		FDEDRO
C#CC[NH+]1CCC(N(C)C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1	ZINC001006117096	889500383	/nfs/dbraw/zinc/50/03/83/889500383.db2.gz	QNOZWWUCJIKCNO-PKOBYXMFSA-N	1	0	354.454	1.157	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccc(OC)cc1	ZINC001127605215	889512318	/nfs/dbraw/zinc/51/23/18/889512318.db2.gz	USMMNZOLIYPLHT-SJORKVTESA-N	1	0	361.442	1.321	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCCc1cccs1	ZINC001127608690	889724289	/nfs/dbraw/zinc/72/42/89/889724289.db2.gz	CMEXRCQKEPFVJP-CVEARBPZSA-N	1	0	365.499	1.094	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccccc2OC)C[C@H]1C	ZINC001106911908	889817388	/nfs/dbraw/zinc/81/73/88/889817388.db2.gz	GPWSGJKZZWMTLQ-OWCLPIDISA-N	1	0	359.470	1.684	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)[C@H](c2ccccc2F)N2CCOCC2)C1	ZINC000923573221	889904493	/nfs/dbraw/zinc/90/44/93/889904493.db2.gz	KLJIZIJFXZGUKI-LPHOPBHVSA-N	1	0	359.445	1.413	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)C1	ZINC000923575413	889907923	/nfs/dbraw/zinc/90/79/23/889907923.db2.gz	YLDROIRQZMAVFU-HNNXBMFYSA-N	1	0	367.405	1.940	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)N(CC)CC(=C)C	ZINC001127613164	889941531	/nfs/dbraw/zinc/94/15/31/889941531.db2.gz	SKBIBKSBWRPQAD-ZACQAIPSSA-N	1	0	351.491	1.487	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1CN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC001006164684	889945418	/nfs/dbraw/zinc/94/54/18/889945418.db2.gz	HRICHMVKLAEGOK-XIRDDKMYSA-N	1	0	361.486	1.027	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](Nc3cc(-n4cccn4)nc(N)[nH+]3)C2=O)cc1	ZINC000503258697	889969229	/nfs/dbraw/zinc/96/92/29/889969229.db2.gz	WIHVPULPHTUTCL-OAHLLOKOSA-N	1	0	374.408	1.724	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1n1ccnn1	ZINC001129284016	890029493	/nfs/dbraw/zinc/02/94/93/890029493.db2.gz	FSBLUZRVFIQMPW-SJORKVTESA-N	1	0	371.489	1.198	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1	ZINC000939125813	890056980	/nfs/dbraw/zinc/05/69/80/890056980.db2.gz	PWPNZKMXWKMBQY-OLMNPRSZSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]1OC	ZINC001212320860	890099784	/nfs/dbraw/zinc/09/97/84/890099784.db2.gz	GDBWNQKKBCCENQ-GUDVDZBRSA-N	1	0	368.518	1.604	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1n1ccnn1	ZINC001129294280	890163306	/nfs/dbraw/zinc/16/33/06/890163306.db2.gz	PWFCUOFBCOAOSU-BBWFWOEESA-N	1	0	361.490	1.649	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)C1	ZINC000939244552	890272507	/nfs/dbraw/zinc/27/25/07/890272507.db2.gz	AJOUHRPCWKLVLA-QGPMSJSTSA-N	1	0	371.485	1.585	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1OC	ZINC001212337633	890324705	/nfs/dbraw/zinc/32/47/05/890324705.db2.gz	YCLXYHVTVYVPMN-HUUCEWRRSA-N	1	0	354.882	1.557	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCc2ccc(CNc3ccc(C#N)nn3)cc2)CC[N@@H+]1C	ZINC001063424591	890534668	/nfs/dbraw/zinc/53/46/68/890534668.db2.gz	JHGXWQCGEJQWDU-RDTXWAMCSA-N	1	0	364.453	1.917	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(N)=O)C2)cc1	ZINC001112432279	890777057	/nfs/dbraw/zinc/77/70/57/890777057.db2.gz	CFXOFOPJEHZKOR-JXFKEZNVSA-N	1	0	357.454	1.569	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1	ZINC000939769412	891249784	/nfs/dbraw/zinc/24/97/84/891249784.db2.gz	GOVLYNZYKIORAH-BBWFWOEESA-N	1	0	363.502	1.511	20	30		FDEDRO
C[C@@H](CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C#N)[nH]1)C2)n1ccnc1	ZINC001002086480	891908902	/nfs/dbraw/zinc/90/89/02/891908902.db2.gz	WYIGADOSZFSIOL-JFOHDYCDSA-N	1	0	366.425	1.596	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2nc3ncc(C)cn3n2)[C@H](OC)C1	ZINC001212444232	891931005	/nfs/dbraw/zinc/93/10/05/891931005.db2.gz	KPRQAOHBGAAIPS-RBSFLKMASA-N	1	0	358.446	1.216	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccnn2CCOC)[C@H](OC)C1	ZINC001212444353	891934112	/nfs/dbraw/zinc/93/41/12/891934112.db2.gz	SMUUZTQZXXHTER-ZMSDIMECSA-N	1	0	350.463	1.313	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(C#N)c1)C2	ZINC001002142629	891980123	/nfs/dbraw/zinc/98/01/23/891980123.db2.gz	JSCAVAOGSBOGML-BDXSIMOUSA-N	1	0	369.469	1.621	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C2(C)CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1=O	ZINC000940346693	892310196	/nfs/dbraw/zinc/31/01/96/892310196.db2.gz	NEPDXVJVWJMNIR-VQHPVUNQSA-N	1	0	361.486	1.312	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C(C)C)[C@H](C)C1	ZINC001106922978	892599208	/nfs/dbraw/zinc/59/92/08/892599208.db2.gz	WBAYWZXFVRLLGZ-YLJYHZDGSA-N	1	0	369.509	1.761	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CO[C@@H](C)c2nccn2C)C[C@H]1C	ZINC001106929181	893006443	/nfs/dbraw/zinc/00/64/43/893006443.db2.gz	CFGDZZGDYJEBRW-IXDOHACOSA-N	1	0	364.490	1.384	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3cnnn3C)[C@H](C)C2)CCOCC1	ZINC001106932290	893026819	/nfs/dbraw/zinc/02/68/19/893026819.db2.gz	YSCLJQYIYBOOKE-HZPDHXFCSA-N	1	0	361.490	1.372	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(F)cc2)C[C@H]1C	ZINC001106940319	893124167	/nfs/dbraw/zinc/12/41/67/893124167.db2.gz	KTTXQYDKCFFFQW-HLLBOEOZSA-N	1	0	361.461	1.743	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](c2ccnn2C)C(C)C)CC1	ZINC000672355397	893175017	/nfs/dbraw/zinc/17/50/17/893175017.db2.gz	SJXMQBWVDHBJED-INIZCTEOSA-N	1	0	361.490	1.043	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CN(C)C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC001002558008	893213451	/nfs/dbraw/zinc/21/34/51/893213451.db2.gz	SLURPNAJUIYXBG-VNQPRFMTSA-N	1	0	357.458	1.290	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCc3c(F)cc(F)cc3C2)CC1	ZINC000672354807	893216863	/nfs/dbraw/zinc/21/68/63/893216863.db2.gz	ZNLKCHYYUCBHTR-UHFFFAOYSA-N	1	0	363.408	1.616	20	30		FDEDRO
C=CCn1c(N2CCN(C(=O)C[NH+](CC)CC)CC2)nnc1C(C)(C)C	ZINC000282320666	893451343	/nfs/dbraw/zinc/45/13/43/893451343.db2.gz	QEGZXARGLJGLSG-UHFFFAOYSA-N	1	0	362.522	1.752	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2cccc(OC)c2)C[C@H]1C	ZINC001106944867	893530031	/nfs/dbraw/zinc/53/00/31/893530031.db2.gz	RHCYQOUTZGMPJE-JFIYKMOQSA-N	1	0	371.481	1.060	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)COCc2ccnn2C)[C@H](OC)C1	ZINC001212455893	893598977	/nfs/dbraw/zinc/59/89/77/893598977.db2.gz	YLDDRCZDZSAMOC-USXIJHARSA-N	1	0	350.463	1.107	20	30		FDEDRO
CC1(C)C[N@H+](Cc2cccc(C#N)c2)CC[C@@H]1NC(=O)[C@H]1C[C@H]1C(N)=O	ZINC000941035905	893655905	/nfs/dbraw/zinc/65/59/05/893655905.db2.gz	UYXZZSZVQNAHJD-IKGGRYGDSA-N	1	0	354.454	1.396	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCn2cncn2)CC1(C)C	ZINC000941092661	893847316	/nfs/dbraw/zinc/84/73/16/893847316.db2.gz	GVXWPKIBVDSJMR-BBWFWOEESA-N	1	0	361.490	1.476	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCCN(C(=O)[C@@H]3C[C@H]3C3CC3)CC2)CC1	ZINC000941185586	894141339	/nfs/dbraw/zinc/14/13/39/894141339.db2.gz	OEDHZKHXFXLDJD-RBUKOAKNSA-N	1	0	357.498	1.439	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC000941212622	894272764	/nfs/dbraw/zinc/27/27/64/894272764.db2.gz	OWJPVJTXALZHEV-TVFCKZIOSA-N	1	0	363.502	1.369	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cn1	ZINC000941216176	894290379	/nfs/dbraw/zinc/29/03/79/894290379.db2.gz	IITULDLUTHCGMO-CRAIPNDOSA-N	1	0	354.454	1.078	20	30		FDEDRO
C#Cc1cncc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+]2CCCC2)C3)c1	ZINC001002826714	894339397	/nfs/dbraw/zinc/33/93/97/894339397.db2.gz	GGWIBZYIUBIOTR-KURKYZTESA-N	1	0	352.438	1.020	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCC(=O)N2CCOCC2)C[C@H]1C	ZINC001106953640	894503354	/nfs/dbraw/zinc/50/33/54/894503354.db2.gz	XXOPTPZZNBNKNX-FGTMMUONSA-N	1	0	365.518	1.664	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(Br)n1	ZINC000922026156	894538752	/nfs/dbraw/zinc/53/87/52/894538752.db2.gz	QORJIQNJVBHDNE-UHFFFAOYSA-N	1	0	372.288	1.562	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C(=O)OCC)cc1	ZINC000922026446	894542139	/nfs/dbraw/zinc/54/21/39/894542139.db2.gz	OXFGNDDXEJUDBV-UHFFFAOYSA-N	1	0	364.467	1.581	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCCN(C(=O)C[C@@H]3C[C@H]3C3CC3)CC2)CC1	ZINC000941328836	894732533	/nfs/dbraw/zinc/73/25/33/894732533.db2.gz	GXRZQGXOCNEZGP-PMACEKPBSA-N	1	0	371.525	1.829	20	30		FDEDRO
CC(=O)N1CC(C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)C1	ZINC001084306447	913949955	/nfs/dbraw/zinc/94/99/55/913949955.db2.gz	WONDPTNVGDPNRB-IEBWSBKVSA-N	1	0	352.438	1.069	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000941548177	895267440	/nfs/dbraw/zinc/26/74/40/895267440.db2.gz	LBGYQTUEYUBCAN-NXHRZFHOSA-N	1	0	368.437	1.646	20	30		FDEDRO
CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@@H](C)[NH+]1CCCCCC1	ZINC000941779688	895718523	/nfs/dbraw/zinc/71/85/23/895718523.db2.gz	HSDPDORFVZAHDJ-KBAYOESNSA-N	1	0	361.486	1.006	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CCS(=O)(=O)C1)C2	ZINC001112452430	896092484	/nfs/dbraw/zinc/09/24/84/896092484.db2.gz	QVZBVYVLPXNTCZ-RYRKJORJSA-N	1	0	352.500	1.053	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCO[C@H]3C(C)C)nn2)C1	ZINC000999986301	896516856	/nfs/dbraw/zinc/51/68/56/896516856.db2.gz	HRSHZMMURQMGMF-SQNIBIBYSA-N	1	0	361.490	1.778	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCO[C@H]3C=C)nn2)C1	ZINC000999987041	896519602	/nfs/dbraw/zinc/51/96/02/896519602.db2.gz	NBHGXCIUHYDZBZ-KURKYZTESA-N	1	0	359.474	1.698	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN2c2ncccn2)[C@H](OC)C1	ZINC001212425899	896703788	/nfs/dbraw/zinc/70/37/88/896703788.db2.gz	JKKSBQRZEHJVJS-BRWVUGGUSA-N	1	0	359.474	1.227	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@]2(CC(C)C)CCNC2=O)[C@H](OC)C1	ZINC001212426259	896744614	/nfs/dbraw/zinc/74/46/14/896744614.db2.gz	UUGLOXRJJNVTFB-GPMSIDNRSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c(C)noc2CC)C[C@H]1C	ZINC001106970891	897210242	/nfs/dbraw/zinc/21/02/42/897210242.db2.gz	ZFHFTXAZGDYDEZ-VHDGCEQUSA-N	1	0	362.474	1.534	20	30		FDEDRO
C#CC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@@H]3CCO[C@H]3CC)C2)n1	ZINC001128113593	897215832	/nfs/dbraw/zinc/21/58/32/897215832.db2.gz	YAUBEWDAGPNBEU-KSZLIROESA-N	1	0	356.470	1.314	20	30		FDEDRO
C=CC[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC2(CCOCC2)C1	ZINC001089958460	897295212	/nfs/dbraw/zinc/29/52/12/897295212.db2.gz	WENDCINDPYLQQK-FGTMMUONSA-N	1	0	358.486	1.697	20	30		FDEDRO
CCCCCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1	ZINC001108024557	897383922	/nfs/dbraw/zinc/38/39/22/897383922.db2.gz	MMUZMBSEJYKFQI-QWFCFKBJSA-N	1	0	369.550	1.883	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCn3nc(C)nc3C)C[C@H]21	ZINC001084353571	914162638	/nfs/dbraw/zinc/16/26/38/914162638.db2.gz	RPPONHSWKGUCNN-MKXGPGLRSA-N	1	0	373.501	1.409	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1	ZINC000995266897	897631165	/nfs/dbraw/zinc/63/11/65/897631165.db2.gz	NTISDANOTIGJQX-BHIYHBOVSA-N	1	0	368.481	1.280	20	30		FDEDRO
C[C@H]1CN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C[C@H](C)N1CC#N	ZINC000921775841	897926515	/nfs/dbraw/zinc/92/65/15/897926515.db2.gz	KFWFKKZOALBTNP-IRXDYDNUSA-N	1	0	370.501	1.926	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@@]2(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@@H]12	ZINC000995305501	898270592	/nfs/dbraw/zinc/27/05/92/898270592.db2.gz	AVUDGVXPOONVKT-WOIUINJBSA-N	1	0	369.509	1.629	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2ncc(C)s2)C1	ZINC001078473981	898806608	/nfs/dbraw/zinc/80/66/08/898806608.db2.gz	PYKZQTKHZDAJOR-XHSDSOJGSA-N	1	0	365.499	1.750	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2nccnc2C)C1	ZINC001078474074	898809847	/nfs/dbraw/zinc/80/98/47/898809847.db2.gz	SQHUMLFASJSCIM-JZXOWHBKSA-N	1	0	360.458	1.083	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(=O)[nH]c(C3CC3)n2)[C@H](OC)C1	ZINC001212442162	899053879	/nfs/dbraw/zinc/05/38/79/899053879.db2.gz	DXQKBHMHBLDXLE-APHBMKBZSA-N	1	0	360.458	1.843	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCN(C)C2=O)[C@H](OC)C1	ZINC001212442197	899054976	/nfs/dbraw/zinc/05/49/76/899054976.db2.gz	GBYDONCAPZUDPK-GVDBMIGSSA-N	1	0	353.507	1.641	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)CC[NH+](C)C)CC2	ZINC001061021229	899244508	/nfs/dbraw/zinc/24/45/08/899244508.db2.gz	VKSLAPTXSTUTCY-SJORKVTESA-N	1	0	363.502	1.370	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1	ZINC001061022779	899296534	/nfs/dbraw/zinc/29/65/34/899296534.db2.gz	XHRKMXHNJNZLIH-IXDOHACOSA-N	1	0	363.502	1.369	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCCOc2cccnc2)C[C@H]1C	ZINC001107012433	899538597	/nfs/dbraw/zinc/53/85/97/899538597.db2.gz	SPACEOXLDHATNN-QZTJIDSGSA-N	1	0	359.470	1.575	20	30		FDEDRO
CCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C	ZINC001107017030	899553392	/nfs/dbraw/zinc/55/33/92/899553392.db2.gz	LYAXTTHXWXKHFF-IEBWSBKVSA-N	1	0	365.481	1.924	20	30		FDEDRO
CNC(=O)NC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1	ZINC001107033010	899775270	/nfs/dbraw/zinc/77/52/70/899775270.db2.gz	DRNUFYDNFCUYNF-SJLPKXTDSA-N	1	0	370.497	1.430	20	30		FDEDRO
[NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1	ZINC000415643261	899836647	/nfs/dbraw/zinc/83/66/47/899836647.db2.gz	ISBWRWPWNUQJFE-QFBILLFUSA-N	1	0	362.433	1.806	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC3(C2)CCN(C(=O)C#CC2CC2)CC3)CC[N@@H+]1C	ZINC000944382628	900224737	/nfs/dbraw/zinc/22/47/37/900224737.db2.gz	CHGRTJXIWKPHQP-RBUKOAKNSA-N	1	0	371.525	1.971	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C2)CCCCC1	ZINC001107059094	900309839	/nfs/dbraw/zinc/30/98/39/900309839.db2.gz	REGAKFNUMBMNMT-IAGOWNOFSA-N	1	0	368.543	1.689	20	30		FDEDRO
CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CCCN(c2cccc(F)c2)C1	ZINC000185516309	900416321	/nfs/dbraw/zinc/41/63/21/900416321.db2.gz	ZMFLCTMIBJCFLI-MRXNPFEDSA-N	1	0	363.481	1.826	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(C)(C)C)[C@H](C)C1	ZINC001107063558	900449486	/nfs/dbraw/zinc/44/94/86/900449486.db2.gz	SBRACPLBGJPLJD-BZUAXINKSA-N	1	0	353.507	1.424	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nc(C(C)C)no2)[C@H](C)C1	ZINC001107063678	900449569	/nfs/dbraw/zinc/44/95/69/900449569.db2.gz	XIBDSKBNIIWFGN-QLFBSQMISA-N	1	0	350.463	1.968	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C(N)=O)c2)[C@H](C)C1	ZINC001107063692	900449806	/nfs/dbraw/zinc/44/98/06/900449806.db2.gz	XOKPBGIPINXPIH-RVKKMQEKSA-N	1	0	359.470	1.561	20	30		FDEDRO
CC(C)OC[C@H](CO)[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N	ZINC000763876611	900452259	/nfs/dbraw/zinc/45/22/59/900452259.db2.gz	VMVIHCUMUPCDCP-JKSUJKDBSA-N	1	0	368.437	1.941	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCCO2)C[C@H]1C	ZINC001107085638	900705275	/nfs/dbraw/zinc/70/52/75/900705275.db2.gz	BPSJDHAKSKOAKT-BPLDGKMQSA-N	1	0	357.882	1.108	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)CCc2cn(C)nn2)C[C@H]1C	ZINC001107092418	900792089	/nfs/dbraw/zinc/79/20/89/900792089.db2.gz	ORONWRGAFCLIJQ-DGCLKSJQSA-N	1	0	370.295	1.340	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2[nH]cnc2C)C[C@H]1C	ZINC001107095560	900856602	/nfs/dbraw/zinc/85/66/02/900856602.db2.gz	QFBRZGMMKZLNCR-GDBMZVCRSA-N	1	0	361.490	1.440	20	30		FDEDRO
C[N@@H+]1CCC[C@](O)(CC(=O)N[C@H](C#N)c2ccc(Br)cc2)C1	ZINC000900112171	900935849	/nfs/dbraw/zinc/93/58/49/900935849.db2.gz	SYPGEPGPBDOKAG-ZBFHGGJFSA-N	1	0	366.259	1.977	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N(C)C)c1	ZINC000763951462	900941755	/nfs/dbraw/zinc/94/17/55/900941755.db2.gz	FLEUFDRZGHTTMH-UHFFFAOYSA-N	1	0	355.460	1.392	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)c2c[nH]c(C#N)c2)CC3)CC[N@@H+]1C	ZINC000944919098	901039628	/nfs/dbraw/zinc/03/96/28/901039628.db2.gz	YNPQCKHGXMUGSD-RHSMWYFYSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCc2cn(C)nc2C)[C@@H](n2ccnn2)C1	ZINC001129307767	901070878	/nfs/dbraw/zinc/07/08/78/901070878.db2.gz	NXXYANBYTJZNIU-MSOLQXFVSA-N	1	0	371.489	1.261	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(c3cc(C)ncc3C#N)CCO2)CC[N@@H+]1C	ZINC001063670566	901091934	/nfs/dbraw/zinc/09/19/34/901091934.db2.gz	LDPKITAWLYXUJF-FGTMMUONSA-N	1	0	371.485	1.313	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNC(=O)CCCC[NH+](C)C)CCC1	ZINC001063832893	901155467	/nfs/dbraw/zinc/15/54/67/901155467.db2.gz	WIZIOEVRXPPDJY-CVEARBPZSA-N	1	0	351.491	1.465	20	30		FDEDRO
C#Cc1ccccc1CC(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1	ZINC001063862369	901173433	/nfs/dbraw/zinc/17/34/33/901173433.db2.gz	QTXCSQGDBRPBHF-VQIMIIECSA-N	1	0	367.493	1.706	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCCN(c2cncc(C#N)n2)C3)CC[N@@H+]1C	ZINC001064570705	901389431	/nfs/dbraw/zinc/38/94/31/901389431.db2.gz	NWEBGWQGCVVXGJ-MDYRTPRTSA-N	1	0	368.485	1.507	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccc(C#N)cn2)CC[N@@H+]1C	ZINC001064544431	901396470	/nfs/dbraw/zinc/39/64/70/901396470.db2.gz	XDMLFIGBKDMBGY-NRSFXHEJSA-N	1	0	353.470	1.863	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NC(=O)CC2CC[NH+](C)CC2)CCC1	ZINC001064584133	901433927	/nfs/dbraw/zinc/43/39/27/901433927.db2.gz	DBQVUNAJTVFWAN-SJORKVTESA-N	1	0	363.502	1.465	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CCN(c4ccc(C#N)nn4)C3)C2)CC[N@@H+]1C	ZINC001064650343	901521310	/nfs/dbraw/zinc/52/13/10/901521310.db2.gz	VTWHISCGFQQDES-SQGPQFPESA-N	1	0	368.485	1.507	20	30		FDEDRO
CCCCCC[N@H+](C)CC(=O)N1CC[C@H]2CN(c3nccnc3C#N)C[C@H]21	ZINC001090328900	901715160	/nfs/dbraw/zinc/71/51/60/901715160.db2.gz	OUJNQWJYYLUWKG-FUHWJXTLSA-N	1	0	370.501	1.897	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2OCC[C@H]2C)C1	ZINC001079143716	901953391	/nfs/dbraw/zinc/95/33/91/901953391.db2.gz	KBHURGQMRKYMIU-AFYVEPGGSA-N	1	0	356.466	1.509	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cn(CC)nn2)C1	ZINC001079146160	901962701	/nfs/dbraw/zinc/96/27/01/901962701.db2.gz	WNAGFEBOGRQQMR-RTBURBONSA-N	1	0	369.469	1.562	20	30		FDEDRO
C=C(C)CN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccn(C)n2)C1	ZINC001079147091	901971555	/nfs/dbraw/zinc/97/15/55/901971555.db2.gz	WOBZYEAOGYRWAV-RTBURBONSA-N	1	0	354.454	1.684	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+]CCn2cncn2)C1	ZINC001079149891	901980552	/nfs/dbraw/zinc/98/05/52/901980552.db2.gz	QRQNRVZFNSMAOF-FHLIZLRMSA-N	1	0	370.432	1.551	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2COC(=O)C2)CC[C@H]1c1ccc(F)cc1	ZINC001079150154	901981490	/nfs/dbraw/zinc/98/14/90/901981490.db2.gz	DGCWUGONHCPAGU-JCGIZDLHSA-N	1	0	358.413	1.686	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)CC[C@H]1c1ccc(F)cc1	ZINC001079150127	901981604	/nfs/dbraw/zinc/98/16/04/901981604.db2.gz	CCEJRCADVNEBBF-BPQIPLTHSA-N	1	0	357.429	1.259	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2COC(=O)N2)CC[C@H]1c1ccc(F)cc1	ZINC001079152409	901987003	/nfs/dbraw/zinc/98/70/03/901987003.db2.gz	LFTCNYLXKVZSGG-GVDBMIGSSA-N	1	0	361.417	1.784	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cc(F)c[nH]2)C1	ZINC001079139357	902023618	/nfs/dbraw/zinc/02/36/18/902023618.db2.gz	PIANWRYPWCUOLD-RTBURBONSA-N	1	0	355.413	1.865	20	30		FDEDRO
C#CC[NH+]1CCC(N2C(=O)N[C@@H]3CN(C(=O)[C@@H]4C[C@H]4CC)CC[C@H]32)CC1	ZINC001079165336	902093335	/nfs/dbraw/zinc/09/33/35/902093335.db2.gz	ORAGPDWUQPOZLX-VDHUWJSZSA-N	1	0	358.486	1.125	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cn2nnnc2C(C)C)C[C@H]1c1cccc(F)c1	ZINC001079201869	902102045	/nfs/dbraw/zinc/10/20/45/902102045.db2.gz	GIGFUNOETPTJIC-DLBZAZTESA-N	1	0	370.432	1.153	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1c1cccc(F)c1	ZINC001079203619	902104876	/nfs/dbraw/zinc/10/48/76/902104876.db2.gz	DRCAYCQZUQGQDF-RBUKOAKNSA-N	1	0	359.445	1.065	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCN(C(C)=O)C2)C[C@H]1c1cccc(F)c1	ZINC001079208208	902116165	/nfs/dbraw/zinc/11/61/65/902116165.db2.gz	NZVMGHKZIXAUEK-NZSAHSFTSA-N	1	0	357.429	1.211	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC(=O)N2CCC2)C1	ZINC001079183666	902125399	/nfs/dbraw/zinc/12/53/99/902125399.db2.gz	NVLLMYZOJHZQOO-RBUKOAKNSA-N	1	0	369.440	1.355	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc(C)nc2OC)C[C@H]1c1cccc(F)c1	ZINC001079186187	902130132	/nfs/dbraw/zinc/13/01/32/902130132.db2.gz	FBDCCNZKFTVVEW-ZWKOTPCHSA-N	1	0	368.412	1.764	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COc2cc(C)on2)C[C@H]1c1cccc(F)c1	ZINC001079187739	902135302	/nfs/dbraw/zinc/13/53/02/902135302.db2.gz	WEGKGKDMHGXLJM-DLBZAZTESA-N	1	0	357.385	1.718	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@]2(CC)CCNC2=O)C[C@H]1c1cccc(F)c1	ZINC001079187560	902135665	/nfs/dbraw/zinc/13/56/65/902135665.db2.gz	MOKYLVLZTMPMHA-QKLQHJQFSA-N	1	0	357.429	1.259	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2nc(C)c(C)[nH]c2=O)C[C@H]1c1cccc(F)c1	ZINC001079188587	902137053	/nfs/dbraw/zinc/13/70/53/902137053.db2.gz	HECUQLCIEDXUDZ-DLBZAZTESA-N	1	0	370.428	1.910	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cncc3C2)C[C@H]1c1cccc(F)c1	ZINC001079188588	902137202	/nfs/dbraw/zinc/13/72/02/902137202.db2.gz	HGQJASASMWUXKF-FFZOFVMBSA-N	1	0	366.440	1.802	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCNC(=O)C2)C[C@H]1c1cccc(F)c1	ZINC001079189026	902139871	/nfs/dbraw/zinc/13/98/71/902139871.db2.gz	CKBYUTUCPQRVBA-QKLQHJQFSA-N	1	0	359.445	1.812	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1c1cccc(F)c1	ZINC001079192472	902149195	/nfs/dbraw/zinc/14/91/95/902149195.db2.gz	IVGGHLMWUPOXJE-AEEMCCEDSA-N	1	0	372.440	1.394	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+][C@@H](C)C(N)=O)C2)C1	ZINC001079197364	902162459	/nfs/dbraw/zinc/16/24/59/902162459.db2.gz	FCHLSCBCRFZALC-RRQGHBQHSA-N	1	0	359.445	1.940	20	30		FDEDRO
COCC[NH+]1CCC2(CN(C(=O)c3ccc(C#N)[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079235507	902174603	/nfs/dbraw/zinc/17/46/03/902174603.db2.gz	BXSDNYWZSGAWHK-DOTOQJQBSA-N	1	0	358.442	1.086	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)CC3OCCCO3)[C@@H]3COC[C@@H]32)CC1	ZINC001079238323	902182380	/nfs/dbraw/zinc/18/23/80/902182380.db2.gz	STXFXYMKEXDHTJ-DLBZAZTESA-N	1	0	362.470	1.102	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)CCn3ccnn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079239153	902183709	/nfs/dbraw/zinc/18/37/09/902183709.db2.gz	FVUMJAKEOQTCCC-DLBZAZTESA-N	1	0	359.474	1.184	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3c(C)ccn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079239265	902185336	/nfs/dbraw/zinc/18/53/36/902185336.db2.gz	KOGMBFSGGNBNPZ-ZWKOTPCHSA-N	1	0	355.482	1.910	20	30		FDEDRO
Cc1nocc1C[NH+]1CCC2(CN(C(=O)C#CC3CC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079240768	902190461	/nfs/dbraw/zinc/19/04/61/902190461.db2.gz	BTQTWIFLKTYPKR-RBUKOAKNSA-N	1	0	369.465	1.836	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)[C@@H](C)n3cccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079224890	902230259	/nfs/dbraw/zinc/23/02/59/902230259.db2.gz	JKCTYTIXOWPYSG-FGTMMUONSA-N	1	0	356.470	1.407	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ccn(CC(C)C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079245019	902251951	/nfs/dbraw/zinc/25/19/51/902251951.db2.gz	SQYAYVYACQIHRZ-PKOBYXMFSA-N	1	0	370.497	1.725	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3ccnc4ccnn43)[C@@H]3COC[C@@H]32)CC1	ZINC001079244957	902252814	/nfs/dbraw/zinc/25/28/14/902252814.db2.gz	OJIRHNSURDQJNU-DOTOQJQBSA-N	1	0	367.453	1.468	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3[nH]c(=O)[nH]c3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079246980	902258247	/nfs/dbraw/zinc/25/82/47/902258247.db2.gz	DYTGILIPXFXWOR-LSDHHAIUSA-N	1	0	358.442	1.000	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC3(F)F)[C@@H]3COC[C@@H]32)CC1	ZINC001079246918	902258871	/nfs/dbraw/zinc/25/88/71/902258871.db2.gz	AUKVMBIJZFVXKL-OWCLPIDISA-N	1	0	352.425	1.994	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC3(F)F)[C@@H]3COC[C@@H]32)CC1	ZINC001079247245	902261336	/nfs/dbraw/zinc/26/13/36/902261336.db2.gz	UHYXGWJJBRIKFV-HRCADAONSA-N	1	0	352.425	1.994	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCc4nccn4C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079248407	902265352	/nfs/dbraw/zinc/26/53/52/902265352.db2.gz	XPMZKGLMRZXPJB-OKZBNKHCSA-N	1	0	370.497	1.571	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)CCc3ccon3)[C@@H]3COC[C@@H]32)CC1	ZINC001079251163	902271025	/nfs/dbraw/zinc/27/10/25/902271025.db2.gz	JOJLXBNBNNSUGJ-ZWKOTPCHSA-N	1	0	357.454	1.570	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3ncc(OC)cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079251329	902272182	/nfs/dbraw/zinc/27/21/82/902272182.db2.gz	QZGQYJNHEWYCCC-JKSUJKDBSA-N	1	0	358.442	1.224	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)Cc3ccc(=O)[nH]c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079252683	902274281	/nfs/dbraw/zinc/27/42/81/902274281.db2.gz	NVKUTKSKDGOREG-ZWKOTPCHSA-N	1	0	371.481	1.845	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)[C@@]3(F)CCOC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079256899	902286849	/nfs/dbraw/zinc/28/68/49/902286849.db2.gz	LMDXZTCBTCXMTH-FRQCXROJSA-N	1	0	352.450	1.631	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCCC(=O)N3)[C@@H]3COC[C@@H]32)CC1	ZINC001079259498	902294934	/nfs/dbraw/zinc/29/49/34/902294934.db2.gz	CXBMTXBAUWGWRE-YESZJQIVSA-N	1	0	361.486	1.171	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cnc(C)nc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079266791	902315374	/nfs/dbraw/zinc/31/53/74/902315374.db2.gz	JLRROOUTJVZCFE-ZWKOTPCHSA-N	1	0	356.470	1.832	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cccc(OC)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269020	902322950	/nfs/dbraw/zinc/32/29/50/902322950.db2.gz	BAAVLQUUHGDXQU-DOTOQJQBSA-N	1	0	355.438	1.276	20	30		FDEDRO
C=C(Cl)CN1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079273974	902337482	/nfs/dbraw/zinc/33/74/82/902337482.db2.gz	ZSYRPKRYCRMTHP-YESZJQIVSA-N	1	0	367.921	1.630	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCCN2CC)C[C@H]1c1ccccc1F	ZINC001079300322	902345277	/nfs/dbraw/zinc/34/52/77/902345277.db2.gz	BWCHVSJLINRLQW-UHOSZYNNSA-N	1	0	359.445	1.064	20	30		FDEDRO
CC[C@@H]([NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1ccccc1F)C(N)=O	ZINC001079294914	902395918	/nfs/dbraw/zinc/39/59/18/902395918.db2.gz	DOXDGXQZRCWPCL-CGTJXYLNSA-N	1	0	357.429	1.387	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3n[nH]cc3C2)C[C@H]1c1ccccc1F	ZINC001079318409	902417614	/nfs/dbraw/zinc/41/76/14/902417614.db2.gz	BNHZTXJZMZPTMF-GZRFBZBPSA-N	1	0	366.440	1.871	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2OC)C[C@H]1c1ccccc1F	ZINC001079305204	902436506	/nfs/dbraw/zinc/43/65/06/902436506.db2.gz	QVFVIMFCSPYQKQ-WMLDXEAASA-N	1	0	358.417	1.952	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCC(=O)N2)C[C@H]1c1ccccc1F	ZINC001079309660	902444523	/nfs/dbraw/zinc/44/45/23/902444523.db2.gz	LDNPXKXOIVJDLX-RYQLBKOJSA-N	1	0	357.429	1.402	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)Cn1cccn1	ZINC001079423534	902542968	/nfs/dbraw/zinc/54/29/68/902542968.db2.gz	MLWLRHZPYZEUCT-CRAIPNDOSA-N	1	0	353.426	1.422	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2F)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC001079592468	902873113	/nfs/dbraw/zinc/87/31/13/902873113.db2.gz	HUKSFMZMZUVCEX-NXOUGTEYSA-N	1	0	356.401	1.809	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(C#N)c[nH]2)C3)CC[N@@H+]1C	ZINC000996011513	902894642	/nfs/dbraw/zinc/89/46/42/902894642.db2.gz	ZJVLYYFNPIPDMV-IJCAJFLPSA-N	1	0	369.469	1.478	20	30		FDEDRO
C[C@@]1(C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)CCNC(=O)C1	ZINC001084449090	914673476	/nfs/dbraw/zinc/67/34/76/914673476.db2.gz	QYLOKWDODIQHKP-DBXWQHBBSA-N	1	0	366.465	1.507	20	30		FDEDRO
C[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001079710440	903120673	/nfs/dbraw/zinc/12/06/73/903120673.db2.gz	IUIVBEFHABGYLY-UIAACRFSSA-N	1	0	352.482	1.837	20	30		FDEDRO
C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001079710540	903120697	/nfs/dbraw/zinc/12/06/97/903120697.db2.gz	MPBSNBPLFAUKQP-LXGCGDOSSA-N	1	0	370.472	1.976	20	30		FDEDRO
CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(C#N)c1)C2)[NH+](C)C	ZINC000996121303	903148030	/nfs/dbraw/zinc/14/80/30/903148030.db2.gz	STTHISVAVDJPDV-LTIDMASMSA-N	1	0	357.458	1.334	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(C#N)c1)C2	ZINC000996122098	903151475	/nfs/dbraw/zinc/15/14/75/903151475.db2.gz	JSCAVAOGSBOGML-OWSLCNJRSA-N	1	0	369.469	1.621	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N[C@H](c1nccn1C)c1cc(OC)cc(OC)c1	ZINC000764054999	903230666	/nfs/dbraw/zinc/23/06/66/903230666.db2.gz	HESGYDHWVMLJCY-KRWDZBQOSA-N	1	0	358.442	1.761	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)CSCC#N)C2)CC[N@@H+]1C	ZINC001079860821	903552352	/nfs/dbraw/zinc/55/23/52/903552352.db2.gz	AGYJVYHXJCRRRC-LSDHHAIUSA-N	1	0	352.504	1.033	20	30		FDEDRO
Cn1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)cc1=O	ZINC001084460327	914732093	/nfs/dbraw/zinc/73/20/93/914732093.db2.gz	SZEKJHXVQUILPB-RTBURBONSA-N	1	0	362.433	1.603	20	30		FDEDRO
CC1(C)CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC000996303869	903651707	/nfs/dbraw/zinc/65/17/07/903651707.db2.gz	ITFMXEBIATWKDY-RVKKMQEKSA-N	1	0	368.481	1.786	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1(C)C	ZINC000996399992	903846644	/nfs/dbraw/zinc/84/66/44/903846644.db2.gz	CAUAGUKVFZJSAE-LZLYRXPVSA-N	1	0	354.454	1.061	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2	ZINC000996544967	904084158	/nfs/dbraw/zinc/08/41/58/904084158.db2.gz	MYDMJJJHUBSGEH-XGUBFFRZSA-N	1	0	353.894	1.965	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]Cc2nn(CC)nc2C)CC1	ZINC000996602251	904324719	/nfs/dbraw/zinc/32/47/19/904324719.db2.gz	ZEXZPXUWGJDVNV-AEFFLSMTSA-N	1	0	361.490	1.668	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)OC)CCC[C@@H]12	ZINC001107305078	904393809	/nfs/dbraw/zinc/39/38/09/904393809.db2.gz	DDPXHBDRWWDWKQ-MBOZVWFJSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000764369117	904471138	/nfs/dbraw/zinc/47/11/38/904471138.db2.gz	SKAVJSYDSGTITD-UHFFFAOYSA-N	1	0	362.449	1.098	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC1CCCCC1)CC2	ZINC001107329257	904493585	/nfs/dbraw/zinc/49/35/85/904493585.db2.gz	NSRWVUXYAFDZMG-WRWLIDTKSA-N	1	0	360.502	1.956	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCCCCC1)CC2	ZINC001107336902	904507271	/nfs/dbraw/zinc/50/72/71/904507271.db2.gz	RSELCZGKLUIBCB-MBOZVWFJSA-N	1	0	360.502	1.909	20	30		FDEDRO
C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCC(F)(F)F)CC2	ZINC001107374678	904606419	/nfs/dbraw/zinc/60/64/19/904606419.db2.gz	ZUTBVGMQYITIPY-CZUORRHYSA-N	1	0	359.392	1.439	20	30		FDEDRO
C#CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCN1C(=O)CCC1=O)CC2	ZINC001107383824	904656389	/nfs/dbraw/zinc/65/63/89/904656389.db2.gz	IDHVEBPDXUZAME-OXQOHEQNSA-N	1	0	359.470	1.300	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccoc3CC)CCC[C@@H]12	ZINC001107384194	904657800	/nfs/dbraw/zinc/65/78/00/904657800.db2.gz	SXBWSQYYVBRQFA-YLJYHZDGSA-N	1	0	357.454	1.566	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C)nn3)CCC[C@@H]12	ZINC001107398242	904720066	/nfs/dbraw/zinc/72/00/66/904720066.db2.gz	MAPVTICEBWCISL-VQIMIIECSA-N	1	0	357.458	1.062	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000764462664	904733167	/nfs/dbraw/zinc/73/31/67/904733167.db2.gz	MUVQRWYCGDDUAB-UHFFFAOYSA-N	1	0	365.499	1.321	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](OCC)C3CC3)CCC[C@@H]12	ZINC001107409520	904771322	/nfs/dbraw/zinc/77/13/22/904771322.db2.gz	WEBRXTAOYWIHDU-YVWKXTFCSA-N	1	0	363.502	1.465	20	30		FDEDRO
COc1cccc(C[N@@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@H](OC)C2)c1C	ZINC001081540564	904798278	/nfs/dbraw/zinc/79/82/78/904798278.db2.gz	IESISZAXXNSHRO-IEBWSBKVSA-N	1	0	368.437	1.833	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cnc2nccn2c1	ZINC001080130488	904807026	/nfs/dbraw/zinc/80/70/26/904807026.db2.gz	LPIPROFBHGZGBA-RDTXWAMCSA-N	1	0	360.421	1.851	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(F)c3C)CCC[C@@H]12	ZINC001107413818	904817741	/nfs/dbraw/zinc/81/77/41/904817741.db2.gz	ULUBSHLHIYEYAD-WIYYLYMNSA-N	1	0	371.456	1.858	20	30		FDEDRO
C=C(C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H](O)Cn1cccn1)CC2	ZINC001107424451	904831621	/nfs/dbraw/zinc/83/16/21/904831621.db2.gz	OPPFRSKIIMMTTH-NLWGTHIKSA-N	1	0	360.502	1.961	20	30		FDEDRO
C=C(C)[C@H](CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2)OCC	ZINC001107425870	904842500	/nfs/dbraw/zinc/84/25/00/904842500.db2.gz	UEPWCNKTOMTZTB-NLWGTHIKSA-N	1	0	368.518	1.727	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)N3C(=O)CCC3=O)CCC[C@@H]12	ZINC001107429356	904867173	/nfs/dbraw/zinc/86/71/73/904867173.db2.gz	HAMPBOLFVYKXHJ-RZQQEMMASA-N	1	0	361.486	1.851	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC(F)(F)C3)CCC[C@@H]12	ZINC001107429485	904868355	/nfs/dbraw/zinc/86/83/55/904868355.db2.gz	OBUJPKSSCNNHOV-IIDMSEBBSA-N	1	0	367.440	1.532	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@H]1OC	ZINC001081687068	904934724	/nfs/dbraw/zinc/93/47/24/904934724.db2.gz	NDDQNOXJAMFQOB-YSTOQKLRSA-N	1	0	374.481	1.862	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@]3(CC(C)C)CCNC3=O)CCC[C@@H]12	ZINC001107442728	904938231	/nfs/dbraw/zinc/93/82/31/904938231.db2.gz	MLYHYGOTTYFRFP-UIFIKXQLSA-N	1	0	359.514	1.923	20	30		FDEDRO
C=C(Br)CN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H](OC)C1	ZINC001081699467	904980162	/nfs/dbraw/zinc/98/01/62/904980162.db2.gz	XPVUATIGHSSPJW-GBJTYRQASA-N	1	0	374.323	1.441	20	30		FDEDRO
Cc1cc(C)nc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)c1	ZINC001107457792	905028075	/nfs/dbraw/zinc/02/80/75/905028075.db2.gz	POXZHECJIQDSRV-YLJYHZDGSA-N	1	0	369.469	1.313	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1OC	ZINC001081801336	905102368	/nfs/dbraw/zinc/10/23/68/905102368.db2.gz	SHDISNHWDWPPAH-IEBWSBKVSA-N	1	0	361.486	1.920	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)COC)CCC[C@@H]12	ZINC001107472764	905108866	/nfs/dbraw/zinc/10/88/66/905108866.db2.gz	HBWXPWHQNBWIIT-DNVCBOLYSA-N	1	0	351.491	1.322	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)[C@H](OC)C1	ZINC001081812509	905136907	/nfs/dbraw/zinc/13/69/07/905136907.db2.gz	XGVRKRXJHBWGMK-JOCBIADPSA-N	1	0	362.474	1.372	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3occ4c3CCC4)CCC[C@@H]12	ZINC001107485369	905161446	/nfs/dbraw/zinc/16/14/46/905161446.db2.gz	XRLXJVQYPZPPMY-OXQOHEQNSA-N	1	0	370.453	1.382	20	30		FDEDRO
CC#CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCNS(C)(=O)=O)CC2	ZINC001107513247	905279408	/nfs/dbraw/zinc/27/94/08/905279408.db2.gz	WRIRWNBIWZCAQB-SJLPKXTDSA-N	1	0	369.531	1.090	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cccnc3C)CCC[C@@H]12	ZINC001107522680	905303740	/nfs/dbraw/zinc/30/37/40/905303740.db2.gz	ODBNVPSXRSJJNB-YLJYHZDGSA-N	1	0	354.454	1.114	20	30		FDEDRO
C=C[C@H](CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nc(=O)n(C)[nH]1)CC2	ZINC001107515563	905314059	/nfs/dbraw/zinc/31/40/59/905314059.db2.gz	XVMXKSWFIIWYHT-SPYBWZPUSA-N	1	0	361.490	1.572	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cnc(C)n3C)CCC[C@@H]12	ZINC001107517999	905325029	/nfs/dbraw/zinc/32/50/29/905325029.db2.gz	KPCJWRJDDMUSSR-VQIMIIECSA-N	1	0	359.474	1.005	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3ccc(OC)cn3)CCC[C@@H]12	ZINC001107518578	905330240	/nfs/dbraw/zinc/33/02/40/905330240.db2.gz	YIJBWXUXVTUMMV-TZIWHRDSSA-N	1	0	371.481	1.643	20	30		FDEDRO
C=CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@@H](O)Cn1cccn1)CC2	ZINC001107524099	905364633	/nfs/dbraw/zinc/36/46/33/905364633.db2.gz	HHWNDODCDVIYQD-QWFCFKBJSA-N	1	0	360.502	1.961	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)[C@H](OC)C1	ZINC001081937269	905387031	/nfs/dbraw/zinc/38/70/31/905387031.db2.gz	KAFNBOZPQCTMKT-DIJFTKHXSA-N	1	0	354.450	1.566	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cnc3c(c2)c(C)nn3C)[C@H](OC)C1	ZINC001082004568	905524361	/nfs/dbraw/zinc/52/43/61/905524361.db2.gz	RABZDZYIDHAISR-IAGOWNOFSA-N	1	0	357.458	1.672	20	30		FDEDRO
CCCN1C[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)CC1=O	ZINC001080531825	905624436	/nfs/dbraw/zinc/62/44/36/905624436.db2.gz	JSLXSCSXWAXNNB-AYOQOUSVSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCC[C@H](C)O)CC3)nn1	ZINC001107571345	905652096	/nfs/dbraw/zinc/65/20/96/905652096.db2.gz	YAEUBUFOEKHTSP-KVSKMBFKSA-N	1	0	361.490	1.600	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3cn[nH]c3)CCC[C@@H]12	ZINC001107573596	905718045	/nfs/dbraw/zinc/71/80/45/905718045.db2.gz	DLFGGYFLEGNJHS-VQIMIIECSA-N	1	0	359.474	1.005	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc4nonc4c3)C[C@H]2C)nn1	ZINC001080577998	905731536	/nfs/dbraw/zinc/73/15/36/905731536.db2.gz	UZXRQFFAAKRUHC-MLGOLLRUSA-N	1	0	367.413	1.251	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1NC(=O)C1CC[NH+](C)CC1	ZINC001082095099	905756732	/nfs/dbraw/zinc/75/67/32/905756732.db2.gz	SRSCDBDVJUIROR-IAGOWNOFSA-N	1	0	362.499	1.277	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]2OC)CC1	ZINC001082101398	905775947	/nfs/dbraw/zinc/77/59/47/905775947.db2.gz	UNOLGHHHYCOODD-CGTJXYLNSA-N	1	0	363.502	1.465	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(OC)n3)CCC[C@@H]12	ZINC001107593384	905874328	/nfs/dbraw/zinc/87/43/28/905874328.db2.gz	KEOXRRVWFYJETF-YLJYHZDGSA-N	1	0	357.454	1.714	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)CCC[NH+](C)C	ZINC001082103236	905878019	/nfs/dbraw/zinc/87/80/19/905878019.db2.gz	AUBHKIVCQVKSKG-KSZLIROESA-N	1	0	365.518	1.807	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@H](C)COC)CCC[C@@H]12	ZINC001107594948	905884189	/nfs/dbraw/zinc/88/41/89/905884189.db2.gz	XPQMGUIVTPQPHU-FRQCXROJSA-N	1	0	351.491	1.322	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)c3cscn3)CCC[C@@H]12	ZINC001107599168	905901942	/nfs/dbraw/zinc/90/19/42/905901942.db2.gz	BKZLTUXLHBJWGL-CRAIPNDOSA-N	1	0	360.483	1.257	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)C3CCCC3)CCC[C@@H]12	ZINC001107605954	905950555	/nfs/dbraw/zinc/95/05/55/905950555.db2.gz	DUXFNESSSRRZPO-HGHGUNKESA-N	1	0	359.514	1.923	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)Cn3nc(C)n(C)c3=O)CCC[C@@H]12	ZINC001107622811	906025216	/nfs/dbraw/zinc/02/52/16/906025216.db2.gz	ZXNGLQOCDSOVHB-RHSMWYFYSA-N	1	0	367.881	1.004	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](C[C@H](O)Cc3ccc(F)cc3)C[C@H]2O)C1	ZINC001077643321	906092796	/nfs/dbraw/zinc/09/27/96/906092796.db2.gz	CMWQLFABEINLQW-KZNAEPCWSA-N	1	0	362.445	1.247	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3cccc(-n4cccn4)c3)C[C@H]2O)C1	ZINC001077642058	906097012	/nfs/dbraw/zinc/09/70/12/906097012.db2.gz	VIGDQQMJMNDZBS-RTBURBONSA-N	1	0	366.465	1.890	20	30		FDEDRO
C=CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)CS(=O)(=O)NC)CCC[C@@H]12	ZINC001107636947	906138104	/nfs/dbraw/zinc/13/81/04/906138104.db2.gz	MCHGWUHDYBJHLJ-SJLPKXTDSA-N	1	0	371.547	1.643	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)NC(=O)NCCC)CCC[C@@H]12	ZINC001107644896	906167222	/nfs/dbraw/zinc/16/72/22/906167222.db2.gz	JZXYATMGDCCHFX-OXQOHEQNSA-N	1	0	362.518	1.858	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCn3cc(C)cn3)CCC[C@@H]12	ZINC001107643281	906217638	/nfs/dbraw/zinc/21/76/38/906217638.db2.gz	FMNXSKRILAVUIX-UYAOXDASSA-N	1	0	358.486	1.592	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(F)s3)CCC[C@@H]12	ZINC001107649291	906282801	/nfs/dbraw/zinc/28/28/01/906282801.db2.gz	QHFFZRQAGALAOB-CXAGYDPISA-N	1	0	364.446	1.501	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1	ZINC001082257716	906497362	/nfs/dbraw/zinc/49/73/62/906497362.db2.gz	MUSCZKLQPSWITK-BBWFWOEESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2NC(=O)c3ccccc32)[C@H](OC)C1	ZINC001082258486	906502032	/nfs/dbraw/zinc/50/20/32/906502032.db2.gz	RKEIGGQMCCMZEU-KZNAEPCWSA-N	1	0	357.454	1.643	20	30		FDEDRO
C=CCCC[NH2+][C@H]1CCN(c2cccc(CNC(=O)[C@]34C[C@H]3COC4)n2)C1	ZINC001127838590	906572390	/nfs/dbraw/zinc/57/23/90/906572390.db2.gz	AGXSOPGBDHFCDL-MDKPJZGXSA-N	1	0	370.497	1.869	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H](OC)C3CCCC3)C[C@H]2OC)cn1	ZINC001082333895	906830260	/nfs/dbraw/zinc/83/02/60/906830260.db2.gz	GUHYQQUAOVMBIS-HSALFYBXSA-N	1	0	371.481	1.697	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3ccnc(OC)c3)C[C@H]2C)CC1	ZINC001080997618	906971279	/nfs/dbraw/zinc/97/12/79/906971279.db2.gz	HBCPEIGSGKYPJW-VQIMIIECSA-N	1	0	370.497	1.372	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1ccc(C(N)=O)cn1	ZINC001081032502	906993326	/nfs/dbraw/zinc/99/33/26/906993326.db2.gz	XGFTULPBLOBIPU-FZKQIMNGSA-N	1	0	363.421	1.302	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2nc3nc(C)cc(C)n3n2)[C@H](OC)C1	ZINC001082355676	907024042	/nfs/dbraw/zinc/02/40/42/907024042.db2.gz	JETRPKIFDCPOQD-HUUCEWRRSA-N	1	0	358.446	1.136	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)N2C(=O)CCC2=O)C[C@H]1c1ccccc1	ZINC001081123330	907182897	/nfs/dbraw/zinc/18/28/97/907182897.db2.gz	MTXIQEMXLOOAPO-HYVNUMGLSA-N	1	0	355.438	1.294	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@H]1c1ccccc1	ZINC001081128228	907225351	/nfs/dbraw/zinc/22/53/51/907225351.db2.gz	NNPWOZVNWJQSIC-FUHWJXTLSA-N	1	0	352.438	1.554	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1	ZINC001098835088	907245489	/nfs/dbraw/zinc/24/54/89/907245489.db2.gz	JFMHSLRPCPTSRH-GUXCAODWSA-N	1	0	371.485	1.700	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCS(=O)(=O)C2)C[C@H]1c1ccccc1	ZINC001081141274	907249154	/nfs/dbraw/zinc/24/91/54/907249154.db2.gz	MKJDMNHTFWXTGB-RYQLBKOJSA-N	1	0	362.495	1.581	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C2CCN(C(C)=O)CC2)C[C@H]1c1ccccc1	ZINC001081224647	907337079	/nfs/dbraw/zinc/33/70/79/907337079.db2.gz	SQFJJPNJPXMHKZ-VQTJNVASSA-N	1	0	353.466	1.462	20	30		FDEDRO
CN(CCC[NH2+]Cc1cc(C#N)ccc1Br)S(C)(=O)=O	ZINC000921525510	907369946	/nfs/dbraw/zinc/36/99/46/907369946.db2.gz	ZMSSZBCBYOLCMR-UHFFFAOYSA-N	1	0	360.277	1.692	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2CC(F)(F)F)[C@H](OC)C1	ZINC001082385188	907403349	/nfs/dbraw/zinc/40/33/49/907403349.db2.gz	CHELVSPBFZWMIB-QLFBSQMISA-N	1	0	363.424	1.795	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(C(N)=O)cc2)C[C@H]1c1ccccc1	ZINC001081233153	907433389	/nfs/dbraw/zinc/43/33/89/907433389.db2.gz	UJIOQZNJEYGUHA-VQTJNVASSA-N	1	0	361.445	1.545	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@H]1C	ZINC001082461040	907892563	/nfs/dbraw/zinc/89/25/63/907892563.db2.gz	NESNEDGLPOIUMU-CXAGYDPISA-N	1	0	366.421	1.918	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NCc1nc(-c2ccoc2)no1	ZINC001082464376	907898269	/nfs/dbraw/zinc/89/82/69/907898269.db2.gz	MEXABPOKUJBAJN-IAQYHMDHSA-N	1	0	366.381	1.780	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3cc(C)n[nH]3)C[C@H]2C)cc1C#N	ZINC001082470951	907915981	/nfs/dbraw/zinc/91/59/81/907915981.db2.gz	RMBQDOZJVJZYDY-FZKQIMNGSA-N	1	0	367.453	1.778	20	30		FDEDRO
CC[C@@H]1CCCCN1C(=O)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC001082482047	907958132	/nfs/dbraw/zinc/95/81/32/907958132.db2.gz	FSSHKKDNQKCBFC-ZTFGCOKTSA-N	1	0	371.485	1.728	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3cncnc3)C[C@H]2C)cc1C#N	ZINC001082491525	908005591	/nfs/dbraw/zinc/00/55/91/908005591.db2.gz	QMXHVCQVGDWURV-RDTXWAMCSA-N	1	0	365.437	1.536	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]Cc1ccc(C(=O)N(C)C)cc1	ZINC001082504882	908117766	/nfs/dbraw/zinc/11/77/66/908117766.db2.gz	PMOFHJHZELWXPB-DNVCBOLYSA-N	1	0	353.466	1.738	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(=O)[nH]n1	ZINC001085126548	921384219	/nfs/dbraw/zinc/38/42/19/921384219.db2.gz	KOHIYGPQJGJPQT-GHMZBOCLSA-N	1	0	355.236	1.721	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](C)C(C)C)CC1	ZINC000997356705	908312053	/nfs/dbraw/zinc/31/20/53/908312053.db2.gz	FKPMQULPMLMAGZ-NQYYFHDYSA-N	1	0	359.514	1.872	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[C@@H](C)O2)CC1	ZINC000997357857	908325906	/nfs/dbraw/zinc/32/59/06/908325906.db2.gz	QYJJIRHLEVRFKZ-GYFISPQKSA-N	1	0	373.497	1.147	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](CC)OC)CC1	ZINC000997357679	908325993	/nfs/dbraw/zinc/32/59/93/908325993.db2.gz	NITURWGJQPTDLE-VSZNYVQBSA-N	1	0	361.486	1.005	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2[C@@H]3CCC[C@@H]32)CC1	ZINC000997358006	908327907	/nfs/dbraw/zinc/32/79/07/908327907.db2.gz	SVJQQKJRVKFYKE-MILMJNAHSA-N	1	0	369.509	1.626	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3scnc3CC)C[C@H]2C)C1=O	ZINC001082546477	908458592	/nfs/dbraw/zinc/45/85/92/908458592.db2.gz	WYIYEQMGNNOVHQ-VHDGCEQUSA-N	1	0	362.499	1.543	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@]2(C)CN(Cc3ccc(C#N)cc3)CCO2)CC[N@@H+]1C	ZINC001107954289	908481250	/nfs/dbraw/zinc/48/12/50/908481250.db2.gz	MJBGLFDSOIQBGV-OZOXKJRCSA-N	1	0	370.497	1.606	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CCN(C(=O)C2CC2)C[C@H]1CC)C1CC[NH+](C)CC1	ZINC000921613853	908579423	/nfs/dbraw/zinc/57/94/23/908579423.db2.gz	JHAJFJAOIWWNIA-APWZRJJASA-N	1	0	374.529	1.763	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082556680	908581331	/nfs/dbraw/zinc/58/13/31/908581331.db2.gz	YQIGXVZGUXHRLE-SUYBPPKGSA-N	1	0	358.417	1.160	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2nc(C)nc2C)C1	ZINC001082561571	908628085	/nfs/dbraw/zinc/62/80/85/908628085.db2.gz	BBNSREMAMUDQDM-RHSMWYFYSA-N	1	0	356.474	1.633	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082576525	908745822	/nfs/dbraw/zinc/74/58/22/908745822.db2.gz	LGDQIHFTIGGWGC-ISTRZQFTSA-N	1	0	358.417	1.160	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082578691	908762147	/nfs/dbraw/zinc/76/21/47/908762147.db2.gz	ABTQVVLSEKOMNM-BDJLRTHQSA-N	1	0	355.373	1.443	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082573982	908816363	/nfs/dbraw/zinc/81/63/63/908816363.db2.gz	MUQBVRNKKIKREK-CZUORRHYSA-N	1	0	358.442	1.037	20	30		FDEDRO
Cc1ncn(C)c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1	ZINC001082575678	908830040	/nfs/dbraw/zinc/83/00/40/908830040.db2.gz	TVKHQNPXOOTCES-RDTXWAMCSA-N	1	0	367.453	1.881	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](CNC(=O)C[N@@H+](C)CCC)CC1	ZINC001060848998	908875103	/nfs/dbraw/zinc/87/51/03/908875103.db2.gz	HBMQOLQELHENLI-TVFCKZIOSA-N	1	0	365.518	1.711	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(c3ccccc3C#N)CC2)C1	ZINC000265625856	908902514	/nfs/dbraw/zinc/90/25/14/908902514.db2.gz	QWUKARBPMKUTJC-QGZVFWFLSA-N	1	0	357.458	1.111	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)C[C@H](OC)CC3)C[C@H]1C	ZINC001082587987	908911107	/nfs/dbraw/zinc/91/11/07/908911107.db2.gz	HIBIBCYMVDNEBY-MRVWCRGKSA-N	1	0	352.866	1.647	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCCC3)C2)cc1	ZINC001082599856	908959176	/nfs/dbraw/zinc/95/91/76/908959176.db2.gz	OBVRMEHEXGYSGW-VQIMIIECSA-N	1	0	371.481	1.924	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082611037	909003819	/nfs/dbraw/zinc/00/38/19/909003819.db2.gz	ODXXGRBFFFOLPX-UWWQBHOKSA-N	1	0	370.453	1.052	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082611508	909007877	/nfs/dbraw/zinc/00/78/77/909007877.db2.gz	KHMFJHYXDSKQJY-SRCQZFHVSA-N	1	0	358.417	1.160	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(-n2cnnn2)cn1)C(C)C	ZINC000654781368	909008236	/nfs/dbraw/zinc/00/82/36/909008236.db2.gz	ACIKBBKFZKPFSZ-QGZVFWFLSA-N	1	0	355.446	1.486	20	30		FDEDRO
N#Cc1ccc(F)c(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1	ZINC000888356734	909020684	/nfs/dbraw/zinc/02/06/84/909020684.db2.gz	VBCHJMJCFBRBPN-UHFFFAOYSA-N	1	0	359.405	1.469	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1CN(Cc2cnc(C)nc2)C[C@H]1OC)OCC	ZINC001212354881	909066527	/nfs/dbraw/zinc/06/65/27/909066527.db2.gz	LUIDGPUKVCSNRH-FGTMMUONSA-N	1	0	362.474	1.472	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cc(OC)n(C)n2)C[C@H]1C	ZINC001082633770	909200369	/nfs/dbraw/zinc/20/03/69/909200369.db2.gz	KVZGWLTZNJYJIX-BXKDBHETSA-N	1	0	357.252	1.387	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ncoc2-c2ccccc2)[C@H](OC)C1	ZINC001212365899	909216169	/nfs/dbraw/zinc/21/61/69/909216169.db2.gz	RAEKUZCTHMFHIT-IAGOWNOFSA-N	1	0	371.437	1.973	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCCO3)C[C@H]1C	ZINC001082635294	909225162	/nfs/dbraw/zinc/22/51/62/909225162.db2.gz	OKPAZFWPTDAZTK-ZWNOBZJWSA-N	1	0	369.263	1.624	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCN2C(=O)CCC2=O)[C@H](OC)C1	ZINC001212368309	909252924	/nfs/dbraw/zinc/25/29/24/909252924.db2.gz	LKIBCCBCEDEJEF-ARFHVFGLSA-N	1	0	365.474	1.086	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)Cc2cc(C)nn2C)C[C@H]1C	ZINC001082641484	909274696	/nfs/dbraw/zinc/27/46/96/909274696.db2.gz	RAKBIAGAIMIRDI-QMTHXVAHSA-N	1	0	355.280	1.616	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3occ4c3CCC4)C[C@H]2C)C1=O	ZINC001082665948	909455643	/nfs/dbraw/zinc/45/56/43/909455643.db2.gz	NOXVZFCUNXRONK-KBRIMQKVSA-N	1	0	357.454	1.605	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOc2cc(C)cc(C)c2)C[C@@H]1O	ZINC001083790052	909522168	/nfs/dbraw/zinc/52/21/68/909522168.db2.gz	LVDLRZSQFKRGPB-ZRNYENFQSA-N	1	0	374.481	1.435	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccc(Cl)cc2)C[C@@H]1O	ZINC001083790065	909522431	/nfs/dbraw/zinc/52/24/31/909522431.db2.gz	MJOIWXXZCYZGIO-BDXSIMOUSA-N	1	0	364.873	1.635	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCN(c3ccn(C)n3)C2=O)C1	ZINC001082686106	909573041	/nfs/dbraw/zinc/57/30/41/909573041.db2.gz	XWPSOKSIBVYKMU-RBSFLKMASA-N	1	0	359.474	1.174	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCN(c3ccn(C)n3)C2=O)C1	ZINC001082686105	909573370	/nfs/dbraw/zinc/57/33/70/909573370.db2.gz	XWPSOKSIBVYKMU-QLFBSQMISA-N	1	0	359.474	1.174	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082746541	909686181	/nfs/dbraw/zinc/68/61/81/909686181.db2.gz	MTVLGHNCQSZGNR-NKGKWGDASA-N	1	0	354.454	1.396	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)Cc3cccc(C)c3)C[C@H]2C)C1=O	ZINC001082716232	909798238	/nfs/dbraw/zinc/79/82/38/909798238.db2.gz	UASMBQQKOBMNTJ-NZSAHSFTSA-N	1	0	355.482	1.761	20	30		FDEDRO
C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(C#N)[nH]2)CC1	ZINC000997869886	909841890	/nfs/dbraw/zinc/84/18/90/909841890.db2.gz	BOGSFVWMAHOEGJ-PVAVHDDUSA-N	1	0	355.442	1.090	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082745424	909970150	/nfs/dbraw/zinc/97/01/50/909970150.db2.gz	XMTXGJDIHZTADD-FZKQIMNGSA-N	1	0	370.432	1.395	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)C3(C(F)(F)F)CC3)C[C@H]2C)C1=O	ZINC001082759091	910028458	/nfs/dbraw/zinc/02/84/58/910028458.db2.gz	MIMOAOTXVUCSDM-FRRDWIJNSA-N	1	0	359.392	1.552	20	30		FDEDRO
COc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(C#N)ccc3F)C2)n1	ZINC001082785499	910070182	/nfs/dbraw/zinc/07/01/82/910070182.db2.gz	HWAIJFHHQKTSRG-SJKOYZFVSA-N	1	0	369.400	1.746	20	30		FDEDRO
CCCN1C[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)CC1=O	ZINC001082772228	910088120	/nfs/dbraw/zinc/08/81/20/910088120.db2.gz	FRRZFLKHHWXQBS-ATZDWAIDSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc4ccccn4c3)C[C@H]2C)C1=O	ZINC001082780346	910130481	/nfs/dbraw/zinc/13/04/81/910130481.db2.gz	KGILYCASGJIPEH-ATZDWAIDSA-N	1	0	366.465	1.776	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCn3cccn3)C2)cc1	ZINC001082790588	910190240	/nfs/dbraw/zinc/19/02/40/910190240.db2.gz	HDMZKHCTPOQLHO-VQIMIIECSA-N	1	0	352.438	1.645	20	30		FDEDRO
CC(C)c1nnnn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001082792747	910198402	/nfs/dbraw/zinc/19/84/02/910198402.db2.gz	MJKJBARWYUBIKA-RHSMWYFYSA-N	1	0	367.457	1.305	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)Cn2nnnc2C(C)C)C[C@H]1C	ZINC001082792709	910198667	/nfs/dbraw/zinc/19/86/67/910198667.db2.gz	KHUYFIPOOSAULL-ZYHUDNBSSA-N	1	0	371.283	1.142	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(C#N)c[nH]1	ZINC000998066094	910263429	/nfs/dbraw/zinc/26/34/29/910263429.db2.gz	YWOIHBSXVXGEEI-OHFALNGGSA-N	1	0	355.442	1.232	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cc3n(n2)CCC3)CC1	ZINC000998094886	910334147	/nfs/dbraw/zinc/33/41/47/910334147.db2.gz	OAAVXSGTTJALFQ-MOPGFXCFSA-N	1	0	358.486	1.749	20	30		FDEDRO
COc1ncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)cn1	ZINC001082838447	910374594	/nfs/dbraw/zinc/37/45/94/910374594.db2.gz	UHARMDKJQPXDPX-SJKOYZFVSA-N	1	0	369.400	1.746	20	30		FDEDRO
C=C(C)C[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC000998113506	910376353	/nfs/dbraw/zinc/37/63/53/910376353.db2.gz	ADVDYTUOTDONNN-OKZBNKHCSA-N	1	0	365.518	1.901	20	30		FDEDRO
Cc1nonc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1	ZINC001082833722	910392425	/nfs/dbraw/zinc/39/24/25/910392425.db2.gz	AIRJFQSVDWIOEB-PIGZYNQJSA-N	1	0	357.389	1.568	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCCN(C)C2=O)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082857007	910493652	/nfs/dbraw/zinc/49/36/52/910493652.db2.gz	OJWMWITXPPEIPM-AYOQOUSVSA-N	1	0	368.481	1.753	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCCN(C)C2=O)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082856990	910493777	/nfs/dbraw/zinc/49/37/77/910493777.db2.gz	NZRUCAXJHKMSOS-ATZDWAIDSA-N	1	0	368.481	1.753	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cncn2C)C1	ZINC001082868737	910506621	/nfs/dbraw/zinc/50/66/21/910506621.db2.gz	QKWZZHCHUFJPRS-RHSMWYFYSA-N	1	0	353.426	1.077	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCC(C)CC3)C2)nc1	ZINC001082868906	910507893	/nfs/dbraw/zinc/50/78/93/910507893.db2.gz	AXSYDXKSEFFICB-VQIMIIECSA-N	1	0	368.481	1.372	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H]3CCN(C4CCC4)C3=O)C2)cn1	ZINC001082870851	910522021	/nfs/dbraw/zinc/52/20/21/910522021.db2.gz	OTTAJQWWPGNCNF-NIKGAXFTSA-N	1	0	366.465	1.266	20	30		FDEDRO
Cc1ccc(=O)n(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)n1	ZINC001082874861	910573074	/nfs/dbraw/zinc/57/30/74/910573074.db2.gz	DEUUCRVOGTXIMZ-RDTXWAMCSA-N	1	0	365.437	1.060	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCC2=O)C1	ZINC001082884770	910663342	/nfs/dbraw/zinc/66/33/42/910663342.db2.gz	FKISLLDCVCCUPS-VQIMIIECSA-N	1	0	353.466	1.269	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2C)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082891434	910676941	/nfs/dbraw/zinc/67/69/41/910676941.db2.gz	HXWVEUNZYNGDIV-ZTFGCOKTSA-N	1	0	354.454	1.506	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082924317	910912194	/nfs/dbraw/zinc/91/21/94/910912194.db2.gz	INHSNDJOEPCHEJ-PIGZYNQJSA-N	1	0	369.400	1.375	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2	ZINC000998405250	910972791	/nfs/dbraw/zinc/97/27/91/910972791.db2.gz	QFUSFXSBLXUOBH-NBMRYCAZSA-N	1	0	354.454	1.770	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2noc3c2COCC3)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082933438	910985602	/nfs/dbraw/zinc/98/56/02/910985602.db2.gz	PFPVVQYVBLQVTJ-CXAGYDPISA-N	1	0	366.421	1.869	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)CCn2cc(C)cn2)C[C@H]1C	ZINC001082942278	911036948	/nfs/dbraw/zinc/03/69/48/911036948.db2.gz	PXZSQURNWDUHCW-TZMCWYRMSA-N	1	0	355.280	1.927	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccc(F)s3)C[C@H]2C)C1=O	ZINC001082956361	911115863	/nfs/dbraw/zinc/11/58/63/911115863.db2.gz	VHWHPJVRCNIHDV-FRRDWIJNSA-N	1	0	351.447	1.724	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C	ZINC001212409454	911771164	/nfs/dbraw/zinc/77/11/64/911771164.db2.gz	GEVNLMNUYASWCX-QRVBRYPASA-N	1	0	356.470	1.214	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(C)nc2)C1=O	ZINC001085135481	921692656	/nfs/dbraw/zinc/69/26/56/921692656.db2.gz	PBKGEJDBIYKNNC-KZNAEPCWSA-N	1	0	356.470	1.808	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3cn4c(n3)C[C@H](C)CC4)[C@H]2C1	ZINC001083120950	911932767	/nfs/dbraw/zinc/93/27/67/911932767.db2.gz	NIVBOVVCJFTKBW-BPQIPLTHSA-N	1	0	358.486	1.957	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnn4c3cccc4OC)[C@H]2C1	ZINC001083098022	911998634	/nfs/dbraw/zinc/99/86/34/911998634.db2.gz	CAXZAOBFUBGJBF-ZWKOTPCHSA-N	1	0	370.453	1.834	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[N@@H+](C)C2)cc1	ZINC000999077927	912030108	/nfs/dbraw/zinc/03/01/08/912030108.db2.gz	JAJSNKKLUJYMJD-RDGPPVDQSA-N	1	0	351.450	1.481	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccccc2O)C1=O	ZINC001085138293	921712358	/nfs/dbraw/zinc/71/23/58/921712358.db2.gz	XYCDNWIQHFYFQU-BRWVUGGUSA-N	1	0	357.454	1.810	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)CCn3cnc4ccccc43)[C@H]2C1	ZINC001083135949	912176810	/nfs/dbraw/zinc/17/68/10/912176810.db2.gz	ZETLDTPTEUKONL-RBUKOAKNSA-N	1	0	354.454	1.914	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)C1	ZINC000999184870	912196543	/nfs/dbraw/zinc/19/65/43/912196543.db2.gz	GDIAHMSWOYXWLT-ZTFGCOKTSA-N	1	0	354.454	1.554	20	30		FDEDRO
CCn1cc(CC(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)nn1	ZINC001084537999	915249689	/nfs/dbraw/zinc/24/96/89/915249689.db2.gz	VOUTVPWKDSMDFX-IEBWSBKVSA-N	1	0	364.453	1.445	20	30		FDEDRO
CCN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1C#N	ZINC000730139479	916182968	/nfs/dbraw/zinc/18/29/68/916182968.db2.gz	QLYUABFBVZLNRB-OAHLLOKOSA-N	1	0	373.482	1.578	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3CC[N@H+](CC[C@@H]4CCCCO4)C[C@H]32)nn1	ZINC001084708842	916393293	/nfs/dbraw/zinc/39/32/93/916393293.db2.gz	WQKTXRRUKGEPID-SOLBZPMBSA-N	1	0	359.474	1.570	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC(=O)N(C)[C@@H]3c3cccnc3)[C@@H]2C1	ZINC001084713861	916454515	/nfs/dbraw/zinc/45/45/15/916454515.db2.gz	AUOYCGZGBXLXRQ-AJYBTWMASA-N	1	0	366.465	1.157	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cnn5cc[nH]c45)[C@@H]3C2)cc1	ZINC001084797596	917180120	/nfs/dbraw/zinc/18/01/20/917180120.db2.gz	CHQQNWCSHNJAAK-SJLPKXTDSA-N	1	0	360.421	1.881	20	30		FDEDRO
C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCO1	ZINC001065210235	917238817	/nfs/dbraw/zinc/23/88/17/917238817.db2.gz	BXWWIENUCVLHHV-HRCADAONSA-N	1	0	351.491	1.273	20	30		FDEDRO
N#CCn1c(=O)c2ccccc2nc1CN1CC[C@H]([NH+]2CCCCC2)C1	ZINC000730809153	917339748	/nfs/dbraw/zinc/33/97/48/917339748.db2.gz	TXCCNKLALYUBFL-INIZCTEOSA-N	1	0	351.454	1.980	20	30		FDEDRO
C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(Cc4ccc(C#N)cc4F)C[C@H]32)C1	ZINC001084830272	917507097	/nfs/dbraw/zinc/50/70/97/917507097.db2.gz	QCRGKACHPHCLRJ-ZIFCJYIRSA-N	1	0	356.445	1.682	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4cc(C)on4)C[C@H]32)CC1	ZINC001084851034	917658828	/nfs/dbraw/zinc/65/88/28/917658828.db2.gz	JXPWJSLFDYTZEO-IEBWSBKVSA-N	1	0	356.470	1.361	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN([C@H](C)c4noc(C)n4)C[C@H]32)CC1	ZINC001084851256	917660933	/nfs/dbraw/zinc/66/09/33/917660933.db2.gz	UGTKLCPNVQVBPH-ZTFGCOKTSA-N	1	0	371.485	1.317	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ccc(C)o4)C[C@@H]32)C1=O	ZINC001084885384	917991046	/nfs/dbraw/zinc/99/10/46/917991046.db2.gz	WIIKYVQMIDVXMU-ULQDDVLXSA-N	1	0	357.454	1.911	20	30		FDEDRO
CNC(=O)c1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@H](C)C#N)C[C@@H]32)cc1	ZINC001084906282	918168103	/nfs/dbraw/zinc/16/81/03/918168103.db2.gz	KKMBBRZMKNZUFQ-KYJSFNMBSA-N	1	0	354.454	1.629	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cncc(C)c4)C[C@@H]32)C1=O	ZINC001084910512	918237572	/nfs/dbraw/zinc/23/75/72/918237572.db2.gz	IOYUCIJUTFIYDG-UHOSZYNNSA-N	1	0	368.481	1.713	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](CCCN4CCCC4=O)[C@H]3C2)[nH]1	ZINC001084922070	918366725	/nfs/dbraw/zinc/36/67/25/918366725.db2.gz	JXEQBGPHOUIZLO-QAPCUYQASA-N	1	0	369.469	1.435	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCCCCC3)[C@H]2C1	ZINC001084938045	918580629	/nfs/dbraw/zinc/58/06/29/918580629.db2.gz	ZXFOWYRKHYDIJF-MOPGFXCFSA-N	1	0	357.498	1.725	20	30		FDEDRO
C=C(Cl)CN1CC[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@@H]21	ZINC001084942918	918606231	/nfs/dbraw/zinc/60/62/31/918606231.db2.gz	VVTFQEMMZNQJLL-WBVHZDCISA-N	1	0	365.909	1.734	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(C(F)(F)F)n(C)n3)C[C@@H]21	ZINC001084948775	918671541	/nfs/dbraw/zinc/67/15/41/918671541.db2.gz	BJCWZBJJKYXAKR-OCCSQVGLSA-N	1	0	354.376	1.999	20	30		FDEDRO
N#Cc1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)Cn4nccn4)C[C@@H]32)ccc1F	ZINC001084949574	918683586	/nfs/dbraw/zinc/68/35/86/918683586.db2.gz	GJFCCNHXFIEZGG-QAPCUYQASA-N	1	0	368.416	1.412	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C(CC)CC)C3)C[C@@H]21	ZINC001084951855	918716787	/nfs/dbraw/zinc/71/67/87/918716787.db2.gz	CPIAXXDSWJMKBT-AOIWGVFYSA-N	1	0	359.514	1.970	20	30		FDEDRO
CN1C[C@@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)[C@H]3C2)CC1=O	ZINC001084952890	918730516	/nfs/dbraw/zinc/73/05/16/918730516.db2.gz	LPHDWQBGNHCVJA-QYZOEREBSA-N	1	0	366.465	1.459	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21	ZINC000820352674	918842760	/nfs/dbraw/zinc/84/27/60/918842760.db2.gz	ATLDVOQNIBBEKB-UAFMIMERSA-N	1	0	355.482	1.971	20	30		FDEDRO
C[NH+](C)CCCNC(=S)NN=Cc1ccc(N2CCOCC2)c(F)c1	ZINC000731928462	918844903	/nfs/dbraw/zinc/84/49/03/918844903.db2.gz	JLZXGBLSPBAZIK-UHFFFAOYSA-N	1	0	367.494	1.412	20	30		FDEDRO
CN(CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O)[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000732188040	919160926	/nfs/dbraw/zinc/16/09/26/919160926.db2.gz	DOIWPHWRBPUVII-XLIONFOSSA-N	1	0	367.453	1.451	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCS(=O)(=O)C3)C[C@@H]21	ZINC001084983953	919200678	/nfs/dbraw/zinc/20/06/78/919200678.db2.gz	VLFPAHZUVZHTDL-ZACQAIPSSA-N	1	0	354.516	1.700	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3COCCN3CC3CCC3)C[C@@H]21	ZINC001084998495	919387495	/nfs/dbraw/zinc/38/74/95/919387495.db2.gz	QAAFAWFNJPTHKU-AABGKKOBSA-N	1	0	361.530	1.986	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cn(C)nc3[C@H]3CCOC3)C[C@@H]21	ZINC001084999514	919410626	/nfs/dbraw/zinc/41/06/26/919410626.db2.gz	FCCPSPIECOGNCC-RYRKJORJSA-N	1	0	356.470	1.484	20	30		FDEDRO
O=C([C@@H]1CCNC1=O)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001085005444	919507934	/nfs/dbraw/zinc/50/79/34/919507934.db2.gz	WNAQOXVNRPDGOJ-QRVBRYPASA-N	1	0	351.450	1.097	20	30		FDEDRO
N#Cc1cc(C[N@H+]2CC[C@@H]3CCN(C(=O)C4(C(N)=O)CC4)C[C@@H]32)ccc1F	ZINC001085021564	919760853	/nfs/dbraw/zinc/76/08/53/919760853.db2.gz	JDCNDPLPWPKEIJ-PBHICJAKSA-N	1	0	370.428	1.386	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3c4n(c(=O)n3C)CCCC4)C[C@@H]21	ZINC001085032543	919927203	/nfs/dbraw/zinc/92/72/03/919927203.db2.gz	MNZMPIMLESGHSM-WBVHZDCISA-N	1	0	356.470	1.083	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)CCc4cn[nH]n4)C[C@@H]32)cc1	ZINC001085036720	919951310	/nfs/dbraw/zinc/95/13/10/919951310.db2.gz	GGIGBWZCHPBXEF-MJGOQNOKSA-N	1	0	364.453	1.732	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)Cc1ccccc1	ZINC000732700324	919991074	/nfs/dbraw/zinc/99/10/74/919991074.db2.gz	HQRNYEWFMGSRPY-RBUKOAKNSA-N	1	0	355.486	1.541	20	30		FDEDRO
O=C(C[C@H]1CCC(=O)N1)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001085055803	920184388	/nfs/dbraw/zinc/18/43/88/920184388.db2.gz	ZYVBXEBFSRVHRE-AQNXPRMDSA-N	1	0	365.477	1.630	20	30		FDEDRO
CCn1cc(C(=O)N2CC[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)[C@H]3C2)nn1	ZINC001085064785	920355561	/nfs/dbraw/zinc/35/55/61/920355561.db2.gz	ZTRDOLUPGDEYNG-MJGOQNOKSA-N	1	0	364.453	1.906	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)C[C@@H]21	ZINC001085065382	920363130	/nfs/dbraw/zinc/36/31/30/920363130.db2.gz	IIHDCCNQSUXQCY-JZXOWHBKSA-N	1	0	359.474	1.427	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn(C4CCOCC4)nn3)C[C@@H]21	ZINC001085070784	920406657	/nfs/dbraw/zinc/40/66/57/920406657.db2.gz	VNJVMOLAIGUXPH-QAPCUYQASA-N	1	0	359.474	1.742	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)Cc4nnc[nH]4)C[C@@H]32)s1	ZINC001085071684	920477937	/nfs/dbraw/zinc/47/79/37/920477937.db2.gz	YJKAAGUNEAHRTB-DOMZBBRYSA-N	1	0	356.455	1.403	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC3CC3)[C@H]2C1	ZINC001085082976	920647074	/nfs/dbraw/zinc/64/70/74/920647074.db2.gz	RGPSEUZCWMJYDN-XLIONFOSSA-N	1	0	365.477	1.412	20	30		FDEDRO
N#Cc1ccccc1CN1C(=O)CN(CN2CC[NH+](C3CCC3)CC2)C1=O	ZINC000733296794	920962809	/nfs/dbraw/zinc/96/28/09/920962809.db2.gz	QPTVNRYPSRQWJK-UHFFFAOYSA-N	1	0	367.453	1.450	20	30		FDEDRO
Cc1nn(C)c2nc(Cl)c(C[NH2+]CCNC(=O)C3N=CC=CC3=O)cc12	ZINC000733334348	920990551	/nfs/dbraw/zinc/99/05/51/920990551.db2.gz	HOSALQUYYKLNQA-SAPNQHFASA-N	1	0	374.832	1.546	20	30		FDEDRO
Cc1c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(F)ccc2C#N)nnn1C	ZINC001085157974	921864709	/nfs/dbraw/zinc/86/47/09/921864709.db2.gz	FIEIRPUKAXHATB-IAGOWNOFSA-N	1	0	370.432	1.965	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCNC(=O)C2)cc1	ZINC001085167787	921936083	/nfs/dbraw/zinc/93/60/83/921936083.db2.gz	LOJNQNYNKXFGEI-RCCFBDPRSA-N	1	0	354.454	1.601	20	30		FDEDRO
COc1coc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)cc1=O	ZINC001085172379	921983838	/nfs/dbraw/zinc/98/38/38/921983838.db2.gz	XHQZOTIVAJIFAM-HUUCEWRRSA-N	1	0	370.409	1.679	20	30		FDEDRO
CC(C)n1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(C#N)c2)nn1	ZINC001085174763	921994133	/nfs/dbraw/zinc/99/41/33/921994133.db2.gz	SPCHILILKLFDDE-IAGOWNOFSA-N	1	0	355.446	1.890	20	30		FDEDRO
CC(C)c1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(C#N)c2)n1C	ZINC001085174643	921994383	/nfs/dbraw/zinc/99/43/83/921994383.db2.gz	MBTOZBWASRLJFH-HZPDHXFCSA-N	1	0	369.473	1.969	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc3n2CCCC3)c[nH]1	ZINC001085174887	921995346	/nfs/dbraw/zinc/99/53/46/921995346.db2.gz	YSDWBUHGUNDUHI-HZPDHXFCSA-N	1	0	367.457	1.645	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)n(C)o1	ZINC001085183369	922053829	/nfs/dbraw/zinc/05/38/29/922053829.db2.gz	XXTTYSFPWJGUDY-GHMZBOCLSA-N	1	0	358.236	1.518	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2nccn2CC)C1=O	ZINC001085185148	922099925	/nfs/dbraw/zinc/09/99/25/922099925.db2.gz	CSOFUWRPCIBJML-BZUAXINKSA-N	1	0	359.474	1.321	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)[C@H]2CN(c3cccc(F)c3C#N)C[C@@H]2O)CC[N@@H+]1C	ZINC001065628246	922392445	/nfs/dbraw/zinc/39/24/45/922392445.db2.gz	HCYQBDMCDYDBGR-OSLDLMBLSA-N	1	0	360.433	1.045	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)CC1	ZINC001066218102	922613838	/nfs/dbraw/zinc/61/38/38/922613838.db2.gz	YKSXVGYZXLCDBY-KSZLIROESA-N	1	0	365.518	1.807	20	30		FDEDRO
CN1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)CC1=O	ZINC001085216815	922853362	/nfs/dbraw/zinc/85/33/62/922853362.db2.gz	FDNWGYDJFYQNPU-KZNAEPCWSA-N	1	0	354.454	1.554	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[C@H]2CCNC2=O)s1	ZINC001085223252	922934125	/nfs/dbraw/zinc/93/41/25/922934125.db2.gz	CVEOTRYTXINMHC-DAXOMENPSA-N	1	0	360.483	1.663	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(=O)n(CCOC)n1	ZINC001085266636	923298604	/nfs/dbraw/zinc/29/86/04/923298604.db2.gz	KBYJFOCEDHCJAQ-ZIAGYGMSSA-N	1	0	368.865	1.273	20	30		FDEDRO
Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)ncc1=O	ZINC001085279289	923459812	/nfs/dbraw/zinc/45/98/12/923459812.db2.gz	BQYIDVJSWCWIOV-IAGOWNOFSA-N	1	0	365.437	1.483	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCNC2=O)c(F)c1	ZINC001085296810	923619941	/nfs/dbraw/zinc/61/99/41/923619941.db2.gz	QJAQSVVNZUEELL-DJIMGWMZSA-N	1	0	358.417	1.350	20	30		FDEDRO
Cn1c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)c(F)c2)c[nH]c1=O	ZINC001085297107	923625633	/nfs/dbraw/zinc/62/56/33/923625633.db2.gz	CNMHTKCKVSLHBX-HZPDHXFCSA-N	1	0	371.416	1.967	20	30		FDEDRO
CN1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)C1=O	ZINC001085302433	923677846	/nfs/dbraw/zinc/67/78/46/923677846.db2.gz	PSFJEMKLWVZKHY-KZNAEPCWSA-N	1	0	354.454	1.554	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](C)C2CN(C(=O)[C@@H]3C[C@H]3C3CCC3)C2)CC1	ZINC001006242822	923833713	/nfs/dbraw/zinc/83/37/13/923833713.db2.gz	WOVFNMKZSRWKOC-UIAACRFSSA-N	1	0	371.525	1.731	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(C(N)=O)[nH]2)c1	ZINC001085333886	923965105	/nfs/dbraw/zinc/96/51/05/923965105.db2.gz	LTRGYCHJWIRRES-HZPDHXFCSA-N	1	0	365.437	1.816	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001085334336	923968384	/nfs/dbraw/zinc/96/83/84/923968384.db2.gz	GTKCWLKLHAOYNB-YLFCFFPRSA-N	1	0	374.510	1.861	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnoc2CC)C1=O	ZINC001085349854	924099822	/nfs/dbraw/zinc/09/98/22/924099822.db2.gz	BLRFIVGFULMRIV-OAGGEKHMSA-N	1	0	360.458	1.655	20	30		FDEDRO
CCOCCC[N@@H+]1CCC(=NNC(=S)NC[C@@H]2CCCO2)[C@H](C)C1	ZINC000735227458	924135388	/nfs/dbraw/zinc/13/53/88/924135388.db2.gz	CODAOSRXEVHUSH-CABCVRRESA-N	1	0	356.536	1.754	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnoc2C)nn1	ZINC001085358691	924171427	/nfs/dbraw/zinc/17/14/27/924171427.db2.gz	NKVUNKYOZDWXHU-HZPDHXFCSA-N	1	0	358.446	1.981	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ocnc2C)nn1	ZINC001085358878	924173269	/nfs/dbraw/zinc/17/32/69/924173269.db2.gz	YOZQKPDAIFDFBA-HUUCEWRRSA-N	1	0	358.446	1.981	20	30		FDEDRO
Cc1c(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)cnn1CCC#N	ZINC000826718790	924300620	/nfs/dbraw/zinc/30/06/20/924300620.db2.gz	CSJCFUZGEFZXKH-UHFFFAOYSA-N	1	0	352.442	1.895	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCCS(=O)(=O)C1	ZINC001085386184	924369957	/nfs/dbraw/zinc/36/99/57/924369957.db2.gz	KQUCPDNCSRTEEK-RBSFLKMASA-N	1	0	362.923	1.971	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCN(CC=C)C2=O)nc1	ZINC001085398642	924448015	/nfs/dbraw/zinc/44/80/15/924448015.db2.gz	QUEMUTIYDDXJBG-LMMKCTJWSA-N	1	0	366.465	1.480	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccnc(OC)n2)cn1	ZINC001085399087	924451233	/nfs/dbraw/zinc/45/12/33/924451233.db2.gz	QGQAQUBWSPCAIA-QZTJIDSGSA-N	1	0	365.437	1.692	20	30		FDEDRO
CC(=O)N1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)C1	ZINC001085407645	924516092	/nfs/dbraw/zinc/51/60/92/924516092.db2.gz	PXPFAXHTVKOBPH-VAMGGRTRSA-N	1	0	368.481	1.944	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)Nc2ccc(OC)c(OC)c2)CC1	ZINC000735939551	924685642	/nfs/dbraw/zinc/68/56/42/924685642.db2.gz	HFNNZGMZSIGBBD-AWEZNQCLSA-N	1	0	374.437	1.919	20	30		FDEDRO
COc1ccc(CN2CC[C@H]2CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1C#N	ZINC001085605681	924956805	/nfs/dbraw/zinc/95/68/05/924956805.db2.gz	QCUOOSDDMRFESW-AYOQOUSVSA-N	1	0	370.497	1.940	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CCCC[NH+](C)C)c1	ZINC000740708937	925412361	/nfs/dbraw/zinc/41/23/61/925412361.db2.gz	MNJNDDCPSPYFHC-UHFFFAOYSA-N	1	0	351.472	1.012	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)CC1	ZINC000740736060	925419914	/nfs/dbraw/zinc/41/99/14/925419914.db2.gz	BQTQFSYZHCZRPN-HNNXBMFYSA-N	1	0	367.515	1.900	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)Cn2c3ccccc3n(CC)c2=O)CC1	ZINC000740737478	925421140	/nfs/dbraw/zinc/42/11/40/925421140.db2.gz	OQHRHWAPEZNCLT-UHFFFAOYSA-N	1	0	354.454	1.427	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@]1(C)C[N@H+](CCCCCOC)CCO1	ZINC001108225835	925536821	/nfs/dbraw/zinc/53/68/21/925536821.db2.gz	ARTKTPHIGSDUJM-AOIWGVFYSA-N	1	0	354.491	1.601	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CC[N@@H+](C)CCC)CC1	ZINC001066360331	925739035	/nfs/dbraw/zinc/73/90/35/925739035.db2.gz	WFZLYVMOUOOJLC-KURKYZTESA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ncnn2C(C)C)C1	ZINC001086089306	925944461	/nfs/dbraw/zinc/94/44/61/925944461.db2.gz	TXKOSDKXRHWDKA-TWMKSMIVSA-N	1	0	361.490	1.825	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCC[N@H+]2CCC[C@H]2C)cc1	ZINC000742238282	925981475	/nfs/dbraw/zinc/98/14/75/925981475.db2.gz	DMEIHARCJZVMJW-CQSZACIVSA-N	1	0	351.472	1.365	20	30		FDEDRO
COc1ccc(C[NH2+]CCNS(=O)(=O)Cc2ccccc2)cc1C#N	ZINC000742368110	926032326	/nfs/dbraw/zinc/03/23/26/926032326.db2.gz	UCYFKTMLNACOLN-UHFFFAOYSA-N	1	0	359.451	1.776	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(C#N)c[nH]1	ZINC001006287072	926215231	/nfs/dbraw/zinc/21/52/31/926215231.db2.gz	OPPFRQNKBJIVFV-CRNXPOROSA-N	1	0	355.442	1.232	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cn(CC)nn2)C1	ZINC001086220496	926325373	/nfs/dbraw/zinc/32/53/73/926325373.db2.gz	CPKITMLTSMMCLQ-MVJTYMMSSA-N	1	0	361.490	1.654	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NC(=O)CCC[NH+](C)C)CC1	ZINC001066458332	926420838	/nfs/dbraw/zinc/42/08/38/926420838.db2.gz	DPOPEZYNSSBPKM-BBWFWOEESA-N	1	0	351.491	1.417	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+]1CCC[C@H]1C	ZINC000743981416	926537235	/nfs/dbraw/zinc/53/72/35/926537235.db2.gz	QOQPTFCNOLWCNX-CQSZACIVSA-N	1	0	358.442	1.884	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)N2CC[NH+](CC3CCOCC3)CC2)c1	ZINC000745893258	927464175	/nfs/dbraw/zinc/46/41/75/927464175.db2.gz	AONCKSCBWUASEB-UHFFFAOYSA-N	1	0	360.433	1.951	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)CCNC(=O)C1N=CC=CC1=O)c1ccsc1	ZINC000746118101	927623846	/nfs/dbraw/zinc/62/38/46/927623846.db2.gz	KZQXAPBBPIIAKF-PHODEOQFSA-N	1	0	362.455	1.384	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1	ZINC000746328655	927848024	/nfs/dbraw/zinc/84/80/24/927848024.db2.gz	PBEBFVVNBSOJLG-KRWDZBQOSA-N	1	0	362.518	1.525	20	30		FDEDRO
CC(C)(O)C[N@H+](Cc1nc2ccccc2c(=O)n1CC#N)C1CCOCC1	ZINC000746462195	928056706	/nfs/dbraw/zinc/05/67/06/928056706.db2.gz	MLJUJBAWXCZZKA-UHFFFAOYSA-N	1	0	370.453	1.672	20	30		FDEDRO
Cc1nn2c(nc(C(C)C)c2C[NH2+]CCN/C(O)=C2\N=CC=CC2=O)s1	ZINC000766467330	928063890	/nfs/dbraw/zinc/06/38/90/928063890.db2.gz	DURSBNDGAJLQDN-FOCLMDBBSA-N	1	0	374.470	1.839	20	30		FDEDRO
C=C(C)C(=O)NCCC[NH2+][C@@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1	ZINC001168903030	928173007	/nfs/dbraw/zinc/17/30/07/928173007.db2.gz	WQEUYSMSRBROLC-QGZVFWFLSA-N	1	0	359.470	1.858	20	30		FDEDRO
C#C[C@H]1CCC[N@@H+]([C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1	ZINC001169206338	928342751	/nfs/dbraw/zinc/34/27/51/928342751.db2.gz	IFFNDOUBLZVWEH-HOTGVXAUSA-N	1	0	371.485	1.338	20	30		FDEDRO
C=CCN1CCN(C)C2(CC[NH+]([C@H](C)CC(=O)N(CC)CC)CC2)C1=O	ZINC001169472502	928670651	/nfs/dbraw/zinc/67/06/51/928670651.db2.gz	RSPXTGRUQCCSTG-QGZVFWFLSA-N	1	0	364.534	1.428	20	30		FDEDRO
C#C[C@H]([NH2+]C[C@]1(O)CCCN(C(=O)OCc2ccccc2)C1)[C@@H]1CCCO1	ZINC001169494072	928679971	/nfs/dbraw/zinc/67/99/71/928679971.db2.gz	CFCGJESVUIOIID-IRFCIJBXSA-N	1	0	372.465	1.921	20	30		FDEDRO
COc1ccc(C(=NO)Nc2ncc(OCC3CC[NH+](C)CC3)cn2)nc1	ZINC001169600109	928773996	/nfs/dbraw/zinc/77/39/96/928773996.db2.gz	MDKKKTCKKNOPTP-UHFFFAOYSA-N	1	0	372.429	1.849	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2CN(Cc3nc4ccccc4c(=O)n3CC#N)CC[C@H]21	ZINC000766989711	929014457	/nfs/dbraw/zinc/01/44/57/929014457.db2.gz	KFEPDJKFSLSDKI-MAUKXSAKSA-N	1	0	351.454	1.836	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)C)C2	ZINC001108878806	929418824	/nfs/dbraw/zinc/41/88/24/929418824.db2.gz	LBZOUGACBYPSPY-KBXIAJHMSA-N	1	0	350.463	1.154	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O)C2	ZINC001109580873	929829582	/nfs/dbraw/zinc/82/95/82/929829582.db2.gz	YQMXUIYOHUMXNA-KBMXLJTQSA-N	1	0	360.458	1.817	20	30		FDEDRO
C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O	ZINC001109607314	929931205	/nfs/dbraw/zinc/93/12/05/929931205.db2.gz	SAVOJRHXACIYON-IKGGRYGDSA-N	1	0	359.470	1.441	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH+]2CCC(Cc3ccc(OC)cc3)CC2)CC1	ZINC000746503199	930013969	/nfs/dbraw/zinc/01/39/69/930013969.db2.gz	WLPOKAQEAZOQGC-UHFFFAOYSA-N	1	0	369.509	1.727	20	30		FDEDRO
C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2C(=O)CNC2=O)CC1	ZINC001109681865	930122028	/nfs/dbraw/zinc/12/20/28/930122028.db2.gz	KSKIAFYYWPOHFW-ILXRZTDVSA-N	1	0	360.458	1.006	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3ncn(C)c3n1)C2	ZINC001109715804	930193380	/nfs/dbraw/zinc/19/33/80/930193380.db2.gz	DQTMTGCQJNUFPK-COXVUDFISA-N	1	0	355.442	1.506	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3c(C)ncc3C1)C2	ZINC001109718720	930237027	/nfs/dbraw/zinc/23/70/27/930237027.db2.gz	KMIKZUOYJGEWGS-FPAYPSAMSA-N	1	0	358.486	1.678	20	30		FDEDRO
C#CC[NH+]1CCC(c2nc(-c3ccc(N4CCNC(=O)C4)cc3)no2)CC1	ZINC000770867205	930293844	/nfs/dbraw/zinc/29/38/44/930293844.db2.gz	ZFKFQDNSODQDLK-UHFFFAOYSA-N	1	0	365.437	1.485	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)Nc2sccc2C(N)=O)CC1	ZINC000772113598	931080638	/nfs/dbraw/zinc/08/06/38/931080638.db2.gz	OTARZOBBUTWAOF-NSHDSACASA-N	1	0	363.439	1.062	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1	ZINC000772115453	931081554	/nfs/dbraw/zinc/08/15/54/931081554.db2.gz	HHZROMZDDGKWRU-AWEZNQCLSA-N	1	0	360.376	1.676	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)C2	ZINC001110062194	931318283	/nfs/dbraw/zinc/31/82/83/931318283.db2.gz	JJEHOKLPHJPRKZ-XGUBFFRZSA-N	1	0	362.474	1.393	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1ccco1)C2	ZINC001112549795	931517684	/nfs/dbraw/zinc/51/76/84/931517684.db2.gz	QKGLNHJVNRDKEM-FTRWYGJKSA-N	1	0	359.470	1.731	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC(=O)NCC(F)(F)F)C2	ZINC001112554196	931519370	/nfs/dbraw/zinc/51/93/70/931519370.db2.gz	DZPAGXCHQSZRMQ-BBRMVZONSA-N	1	0	359.392	1.297	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCC#Cc2ccccc2)CC1=O	ZINC000785648999	931523440	/nfs/dbraw/zinc/52/34/40/931523440.db2.gz	YSXJKEYTNRKAIJ-RBUKOAKNSA-N	1	0	354.450	1.914	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)OCc2ccccc2C#N)CC1=O	ZINC000785652509	931526957	/nfs/dbraw/zinc/52/69/57/931526957.db2.gz	YDTFPGXLISZLOA-MSOLQXFVSA-N	1	0	355.438	1.934	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCc2ccc(C#N)cc2)CC1=O	ZINC000785658019	931553191	/nfs/dbraw/zinc/55/31/91/931553191.db2.gz	WVIILYPHJTUSEB-QZTJIDSGSA-N	1	0	355.438	1.934	20	30		FDEDRO
N#CCCNC(=O)COC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1	ZINC000785713044	931581000	/nfs/dbraw/zinc/58/10/00/931581000.db2.gz	JRKZMVOLYBXTQM-UHFFFAOYSA-N	1	0	359.426	1.078	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn([C@H]3CCOC3)nn1)C2	ZINC001112559157	931583119	/nfs/dbraw/zinc/58/31/19/931583119.db2.gz	LSSVFVVOEBDNTC-BXWFABGCSA-N	1	0	357.458	1.095	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccnc3nc(C)nn31)C2	ZINC001112562573	931595256	/nfs/dbraw/zinc/59/52/56/931595256.db2.gz	DLQICEVIMOHWEA-KXBFYZLASA-N	1	0	352.442	1.288	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(C(=O)N(C)C)cc1)C2	ZINC001112564830	931609481	/nfs/dbraw/zinc/60/94/81/931609481.db2.gz	SYOUEQCRNMLKBL-RXVVDRJESA-N	1	0	353.466	1.854	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCCC)C2)cn1	ZINC001112566087	931617453	/nfs/dbraw/zinc/61/74/53/931617453.db2.gz	JPDRZFSMPFKTFB-UWJYYQICSA-N	1	0	368.481	1.421	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCCO)C2)CCOCC1	ZINC001112571104	931653615	/nfs/dbraw/zinc/65/36/15/931653615.db2.gz	DTCYUFQQQDMETK-PXNSSMCTSA-N	1	0	350.503	1.960	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1C(=O)NC(C)(C)C1=O)C2	ZINC001112573778	931677192	/nfs/dbraw/zinc/67/71/92/931677192.db2.gz	WHLFSSRWWXZHFO-LIRRHRJNSA-N	1	0	362.474	1.111	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1ccc(C)nc1)C2	ZINC001112579471	931742049	/nfs/dbraw/zinc/74/20/49/931742049.db2.gz	OYOAMNNRNDECQL-FPOVZHCZSA-N	1	0	355.482	1.801	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCS1(=O)=O)C2	ZINC001112582427	931748908	/nfs/dbraw/zinc/74/89/08/931748908.db2.gz	WPVMDXZMROTBBN-BQFCYCMXSA-N	1	0	354.516	1.748	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)COC(=O)CC1([NH+]2CCOCC2)CCCC1	ZINC000786098226	931749137	/nfs/dbraw/zinc/74/91/37/931749137.db2.gz	WHKPHPDMHUFKOP-MRXNPFEDSA-N	1	0	365.474	1.573	20	30		FDEDRO
N#Cc1ccc([C@H](OC(=O)CC2([NH+]3CCOCC3)CCCC2)C(N)=O)cc1	ZINC000786102550	931750736	/nfs/dbraw/zinc/75/07/36/931750736.db2.gz	XPFUCOIUMJNBLA-SFHVURJKSA-N	1	0	371.437	1.663	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)NC(=O)NCCC)C2	ZINC001112585453	931790934	/nfs/dbraw/zinc/79/09/34/931790934.db2.gz	YVPYWAOYTTVAIC-KXBFYZLASA-N	1	0	350.507	1.879	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cnn(CC)n2)C1	ZINC001112589387	931802694	/nfs/dbraw/zinc/80/26/94/931802694.db2.gz	XUIPANHVZRDQOH-BXWFABGCSA-N	1	0	361.490	1.607	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(Cl)nc2)CC1	ZINC000786601542	931966531	/nfs/dbraw/zinc/96/65/31/931966531.db2.gz	FJZHXHKJSVELNZ-UHFFFAOYSA-N	1	0	350.850	1.508	20	30		FDEDRO
C#CCOc1ccc(Br)cc1C[NH2+]CCC1CS(=O)(=O)C1	ZINC000786824045	932054915	/nfs/dbraw/zinc/05/49/15/932054915.db2.gz	FXPPTASBHKJDQC-UHFFFAOYSA-N	1	0	372.284	1.985	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCN1C(=O)CNC1=O)C2	ZINC001110082197	932137749	/nfs/dbraw/zinc/13/77/49/932137749.db2.gz	BCUXXYRWXVMAEJ-FZKCQIBNSA-N	1	0	362.474	1.395	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCNc1ncccc1C#N	ZINC000787052163	932147188	/nfs/dbraw/zinc/14/71/88/932147188.db2.gz	CDGCCJQLDJXKJU-HNNXBMFYSA-N	1	0	372.473	1.260	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC2(CO)CCN(c3ccncc3C#N)CC2)CC[N@@H+]1C	ZINC001112679396	932171372	/nfs/dbraw/zinc/17/13/72/932171372.db2.gz	GWOUIMDZKOILLH-DLBZAZTESA-N	1	0	371.485	1.131	20	30		FDEDRO
C#CCCCNC(=O)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1	ZINC000787154439	932197984	/nfs/dbraw/zinc/19/79/84/932197984.db2.gz	BNQCRAAOHIZJDE-IAGOWNOFSA-N	1	0	371.481	1.442	20	30		FDEDRO
C#CCN(C(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1)C1CCCC1	ZINC000787430115	932279471	/nfs/dbraw/zinc/27/94/71/932279471.db2.gz	FPOJNTVDBWAHNL-UHFFFAOYSA-N	1	0	368.481	1.567	20	30		FDEDRO
COc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1C#N	ZINC000746730772	932585717	/nfs/dbraw/zinc/58/57/17/932585717.db2.gz	MOSFRRQJUHKRDI-KRWDZBQOSA-N	1	0	371.485	1.535	20	30		FDEDRO
COc1ccc(CNC(=O)N2CC[NH+](C3CCOCC3)CC2)cc1C#N	ZINC000746785551	932925032	/nfs/dbraw/zinc/92/50/32/932925032.db2.gz	QEUAWQZGTLQJPX-UHFFFAOYSA-N	1	0	358.442	1.573	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1	ZINC000746803456	933009748	/nfs/dbraw/zinc/00/97/48/933009748.db2.gz	MGLTXWUZDRSFGV-KRWDZBQOSA-N	1	0	369.465	1.827	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=NOCc2ccc(S(C)(=O)=O)cc2)cc1	ZINC000789598228	933113874	/nfs/dbraw/zinc/11/38/74/933113874.db2.gz	XBHLKZGGDUKKSU-UHFFFAOYSA-N	1	0	361.467	1.989	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCO1	ZINC000789662342	933136040	/nfs/dbraw/zinc/13/60/40/933136040.db2.gz	UKMPJRCYPHTZIV-FHWLQOOXSA-N	1	0	369.465	1.064	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2CCOCC2)C1	ZINC001086583786	933412115	/nfs/dbraw/zinc/41/21/15/933412115.db2.gz	HOJLSJQNSQVUKJ-VQTJNVASSA-N	1	0	357.498	1.869	20	30		FDEDRO
C=CC[C@]1(C(=O)NC[C@](C)(O)C[NH+](C)C)CCCN1C(=O)OC(C)(C)C	ZINC000790812315	933729901	/nfs/dbraw/zinc/72/99/01/933729901.db2.gz	AXKMRXLRBXHWGW-RBUKOAKNSA-N	1	0	369.506	1.761	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1c1ccccc1	ZINC001086593411	933835706	/nfs/dbraw/zinc/83/57/06/933835706.db2.gz	UOIXMASQOXNEJP-ZCNNSNEGSA-N	1	0	355.482	1.051	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CCN(C)C2=O)C1	ZINC001086593532	933864358	/nfs/dbraw/zinc/86/43/58/933864358.db2.gz	CCPVAXREIJWURI-CEXWTWQISA-N	1	0	353.466	1.462	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCN(C(C)=O)C2)C1	ZINC001086598118	933983349	/nfs/dbraw/zinc/98/33/49/933983349.db2.gz	PVAPPYQALKDYLL-PCCBWWKXSA-N	1	0	367.493	1.852	20	30		FDEDRO
C#CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1	ZINC001086600448	934083148	/nfs/dbraw/zinc/08/31/48/934083148.db2.gz	UIMCTBZCTVAJAG-LZWWZHRGSA-N	1	0	365.477	1.067	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1	ZINC001086603170	934207180	/nfs/dbraw/zinc/20/71/80/934207180.db2.gz	KYGPHJWSHBVLBU-KSZLIROESA-N	1	0	356.470	1.560	20	30		FDEDRO
C[N@H+](CCNC(=O)C(=O)NCc1cc(C#N)ccc1F)Cc1ccccc1	ZINC000793839144	934285314	/nfs/dbraw/zinc/28/53/14/934285314.db2.gz	OZCBEEQGBDGCJC-UHFFFAOYSA-N	1	0	368.412	1.562	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)NC1CC[NH+](CCOC)CC1)c1ccncc1	ZINC000793817806	934292977	/nfs/dbraw/zinc/29/29/77/934292977.db2.gz	TZTKDHQMBRRROM-QGZVFWFLSA-N	1	0	360.458	1.042	20	30		FDEDRO
CCOC(=O)CN(CC[NH3+])c1cc(/C=N/[S@@](=O)C(C)(C)C)cc(C)n1	ZINC001170993953	945096890	/nfs/dbraw/zinc/09/68/90/945096890.db2.gz	FOOWFGMOSSJOJO-KDDABKDRSA-N	1	0	368.503	1.599	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC2(CNc3ccc(C#N)nn3)CCCCC2)CC[N@@H+]1C	ZINC001114186804	938325577	/nfs/dbraw/zinc/32/55/77/938325577.db2.gz	UYXKULMNMMDJAR-GDBMZVCRSA-N	1	0	356.474	1.919	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCCN(C)C2=O)C1	ZINC001086619399	938354607	/nfs/dbraw/zinc/35/46/07/938354607.db2.gz	NWNFNQYWWZJSCM-SLFFLAALSA-N	1	0	367.493	1.852	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2cncn2C)[C@@H](n2ccnn2)C1	ZINC001129412798	938408359	/nfs/dbraw/zinc/40/83/59/938408359.db2.gz	XHPYFAJQFSKRKD-JQHSSLGASA-N	1	0	371.489	1.341	20	30		FDEDRO
CCCCCCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@@H]1n1ccnn1	ZINC001129400697	938415793	/nfs/dbraw/zinc/41/57/93/938415793.db2.gz	XJRWFSDGYDXMTH-ZACQAIPSSA-N	1	0	351.495	1.751	20	30		FDEDRO
C=C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCOC)C[C@@H]1n1ccnn1)c1ccccc1	ZINC001129449437	938419930	/nfs/dbraw/zinc/41/99/30/938419930.db2.gz	MWJQPKCIVHSOEG-QRVBRYPASA-N	1	0	369.469	1.626	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2nc(C)cc2C)[C@@H](n2ccnn2)C1	ZINC001129433571	938423328	/nfs/dbraw/zinc/42/33/28/938423328.db2.gz	HHNILILEUSOJAP-KURKYZTESA-N	1	0	371.489	1.660	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH]nc3C2)[C@@H](n2ccnn2)C1	ZINC001129441308	938427190	/nfs/dbraw/zinc/42/71/90/938427190.db2.gz	QQVPNWIINWZHFS-OLMNPRSZSA-N	1	0	369.473	1.114	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@@H]1n1ccnn1	ZINC001129482432	938434534	/nfs/dbraw/zinc/43/45/34/938434534.db2.gz	WQYJZEPFCGRABN-OIISXLGYSA-N	1	0	361.490	1.647	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCn2ccnc2)[C@@H](n2ccnn2)C1	ZINC001129484705	938439943	/nfs/dbraw/zinc/43/99/43/938439943.db2.gz	BYRMCNXSQHDJLT-KURKYZTESA-N	1	0	371.489	1.651	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H](C)c2cnn(C)c2)[C@@H](n2ccnn2)C1	ZINC001129490958	938442798	/nfs/dbraw/zinc/44/27/98/938442798.db2.gz	XDMYNCFRYFJFDP-OIISXLGYSA-N	1	0	357.462	1.123	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)/C=C\c2ccco2)C[C@@H]1n1ccnn1	ZINC001129533949	938447787	/nfs/dbraw/zinc/44/77/87/938447787.db2.gz	WRTOTEKXIAIHHY-DJAVDHGHSA-N	1	0	357.414	1.129	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1n1ccnn1	ZINC001129569421	938458036	/nfs/dbraw/zinc/45/80/36/938458036.db2.gz	VBRGHOFQUULXKW-SJORKVTESA-N	1	0	357.462	1.413	20	30		FDEDRO
CS[C@H](C)C(=O)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129603961	938462934	/nfs/dbraw/zinc/46/29/34/938462934.db2.gz	RHFAAVQHGCPCDP-NXHRZFHOSA-N	1	0	369.494	1.423	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]Cc2ccnc(N(C)C)c2)[C@@H](n2ccnn2)C1	ZINC001129666759	938478447	/nfs/dbraw/zinc/47/84/47/938478447.db2.gz	HKIXPSKPSVWQGT-SJORKVTESA-N	1	0	369.473	1.247	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]([NH2+]Cc2csc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129680878	938483699	/nfs/dbraw/zinc/48/36/99/938483699.db2.gz	DZHNHQWVEZQFBY-CVEARBPZSA-N	1	0	361.471	1.392	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]CC/C=C\c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129677994	938491075	/nfs/dbraw/zinc/49/10/75/938491075.db2.gz	RHDSDPMLHLYIJM-HGOFRRQOSA-N	1	0	364.453	1.883	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1)C1CC1	ZINC001129723264	938494313	/nfs/dbraw/zinc/49/43/13/938494313.db2.gz	CVBSMBFQNDMJIT-AHRSYUTCSA-N	1	0	363.465	1.717	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H]([NH2+]CC[C@H](C)F)[C@@H](n2ccnn2)C1	ZINC001129732565	938496317	/nfs/dbraw/zinc/49/63/17/938496317.db2.gz	AZHUCNOSSADEFX-XHSDSOJGSA-N	1	0	353.442	1.351	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2oc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001129733596	938496986	/nfs/dbraw/zinc/49/69/86/938496986.db2.gz	YVZPEDQCILMXCT-CVEARBPZSA-N	1	0	359.430	1.346	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1n1ccnn1	ZINC001129708945	938499248	/nfs/dbraw/zinc/49/92/48/938499248.db2.gz	XWSMXGLGISYUND-SJORKVTESA-N	1	0	357.462	1.332	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2COCCN2C(C)=O)C1	ZINC001086624766	938499725	/nfs/dbraw/zinc/49/97/25/938499725.db2.gz	TXPJEPOMVCKZIT-IPMKNSEASA-N	1	0	357.454	1.004	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H]([NH2+]CCc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129795203	938508986	/nfs/dbraw/zinc/50/89/86/938508986.db2.gz	CJAOAADGCIUYMM-WSTZPKSXSA-N	1	0	369.469	1.189	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCc3nnc(C)n3C2)C1	ZINC001086625096	938509674	/nfs/dbraw/zinc/50/96/74/938509674.db2.gz	LAUXCSYCAFYBOT-CEXWTWQISA-N	1	0	365.481	1.919	20	30		FDEDRO
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]Cc1cccc(C#N)c1	ZINC001129797462	938510201	/nfs/dbraw/zinc/51/02/01/938510201.db2.gz	HAZLGPHRIQQVIF-QZTJIDSGSA-N	1	0	367.453	1.665	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@@H]1n1ccnn1	ZINC001129816617	938520828	/nfs/dbraw/zinc/52/08/28/938520828.db2.gz	FUTVYWZQMIPANM-MSOLQXFVSA-N	1	0	371.489	1.342	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)CC2(O)CCC2)C[C@@H]1n1ccnn1	ZINC001129829621	938523749	/nfs/dbraw/zinc/52/37/49/938523749.db2.gz	KQBZLOGJOBWYEH-SJORKVTESA-N	1	0	363.506	1.895	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](OCC)C2=CCCC2)C[C@@H]1n1ccnn1	ZINC001129850014	938527045	/nfs/dbraw/zinc/52/70/45/938527045.db2.gz	JPCDKQWAHNHVEV-CEXWTWQISA-N	1	0	371.485	1.548	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[C@@H]2CCCCO2)C[C@@H]1n1ccnn1	ZINC001129849970	938527217	/nfs/dbraw/zinc/52/72/17/938527217.db2.gz	GGTZOQDONIJSRO-IKGGRYGDSA-N	1	0	359.474	1.238	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2OCC[C@H]2C(C)C)C[C@@H]1n1ccnn1	ZINC001129856170	938529044	/nfs/dbraw/zinc/52/90/44/938529044.db2.gz	ZOFBEZPPCVKFPQ-MHORFTMASA-N	1	0	361.490	1.647	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnc3[nH]cnc3c2)C[C@@H]1n1ccnn1	ZINC001129881499	938537338	/nfs/dbraw/zinc/53/73/38/938537338.db2.gz	LKPOYKPGSLLRHI-CVEARBPZSA-N	1	0	366.429	1.171	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCC3)C[C@@H]1n1ccnn1	ZINC001129881767	938537643	/nfs/dbraw/zinc/53/76/43/938537643.db2.gz	RKDIRKAEKIEVKB-OLMNPRSZSA-N	1	0	369.473	1.431	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCOc2c(C)cccc2C)C[C@@H]1n1ccnn1	ZINC001129884619	938538917	/nfs/dbraw/zinc/53/89/17/938538917.db2.gz	PIXGLURMGMMKCF-MSOLQXFVSA-N	1	0	369.469	1.892	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(Cl)cnn2CC)C[C@@H]1n1ccnn1	ZINC001129867042	938543854	/nfs/dbraw/zinc/54/38/54/938543854.db2.gz	NNVRFJQCLHTNMX-KGLIPLIRSA-N	1	0	363.853	1.379	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(C)nc(C)c2)C[C@@H]1n1ccnn1	ZINC001129871890	938545025	/nfs/dbraw/zinc/54/50/25/938545025.db2.gz	OWXKHZZMMHATHF-MSOLQXFVSA-N	1	0	354.458	1.911	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)n(C(F)F)n2)C[C@@H]1n1ccnn1	ZINC001129872033	938545094	/nfs/dbraw/zinc/54/50/94/938545094.db2.gz	RHMBWUMVIZHHHT-KGLIPLIRSA-N	1	0	365.388	1.410	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCCO2)[C@@H](n2ccnn2)C1	ZINC001129876439	938547019	/nfs/dbraw/zinc/54/70/19/938547019.db2.gz	QJXULRUNVNCZMF-ZACQAIPSSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@@H]1n1ccnn1	ZINC001129904568	938548074	/nfs/dbraw/zinc/54/80/74/938548074.db2.gz	INZMCBSNXNTWAE-CVEARBPZSA-N	1	0	371.445	1.175	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnc3n[nH]cc3c2)C[C@@H]1n1ccnn1	ZINC001129905525	938548568	/nfs/dbraw/zinc/54/85/68/938548568.db2.gz	ZVEVWZZLDUKNMO-CVEARBPZSA-N	1	0	366.429	1.171	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@](C)(F)CCCC)C[C@@H]1n1ccnn1	ZINC001129916939	938553871	/nfs/dbraw/zinc/55/38/71/938553871.db2.gz	IDIBFVGEVWBTBM-RYRKJORJSA-N	1	0	367.469	1.741	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H]([NH2+]CCOC(C)C)[C@@H](n3ccnn3)C2)CCC1	ZINC001129894515	938555739	/nfs/dbraw/zinc/55/57/39/938555739.db2.gz	IJHDGMKUQLKPSJ-SJORKVTESA-N	1	0	359.474	1.238	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n3ccnn3)C2)CCC1	ZINC001129894660	938555981	/nfs/dbraw/zinc/55/59/81/938555981.db2.gz	NRLZTTCRIOQPGH-KGLIPLIRSA-N	1	0	369.391	1.766	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2cnccc2C)C[C@@H]1n1ccnn1	ZINC001129898356	938558846	/nfs/dbraw/zinc/55/88/46/938558846.db2.gz	RMFYEACHBYSVFM-MSOLQXFVSA-N	1	0	354.458	1.532	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2ccon2)C[C@@H]1n1ccnn1	ZINC001129931871	938561933	/nfs/dbraw/zinc/56/19/33/938561933.db2.gz	DIZCGLWVJKXKHG-UAGQMJEPSA-N	1	0	358.446	1.595	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)c(C)n2)C[C@@H]1n1ccnn1	ZINC001129933908	938563004	/nfs/dbraw/zinc/56/30/04/938563004.db2.gz	FSGOIXXYUUXTJX-MSOLQXFVSA-N	1	0	354.458	1.911	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(CC)[nH]c(=O)c2)C[C@@H]1n1ccnn1	ZINC001129936567	938563723	/nfs/dbraw/zinc/56/37/23/938563723.db2.gz	FPVSJCIUKGEGMQ-SJORKVTESA-N	1	0	370.457	1.563	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3ncccc3o2)C[C@@H]1n1ccnn1	ZINC001129936697	938564158	/nfs/dbraw/zinc/56/41/58/938564158.db2.gz	KUCBIXMRBHJXOW-CABCVRRESA-N	1	0	350.382	1.098	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2cccc(C3CC3)c2)C[C@@H]1n1ccnn1	ZINC001129941227	938566442	/nfs/dbraw/zinc/56/64/42/938566442.db2.gz	PIWJOFOMLHDKRI-UXHICEINSA-N	1	0	363.465	1.763	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2ccncc2)C[C@@H]1n1ccnn1	ZINC001129919202	938567528	/nfs/dbraw/zinc/56/75/28/938567528.db2.gz	QGRGAKPZBUJTBA-MSOLQXFVSA-N	1	0	354.458	1.614	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2c(C)n[nH]c2C)C[C@@H]1n1ccnn1	ZINC001129920835	938568113	/nfs/dbraw/zinc/56/81/13/938568113.db2.gz	BDJAWFWCGUYGNN-XYPHTWIQSA-N	1	0	371.489	1.729	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2nc(C)c(C)nc2C)C[C@@H]1n1ccnn1	ZINC001129928893	938572596	/nfs/dbraw/zinc/57/25/96/938572596.db2.gz	TXOKBRAPCHUEEU-CVEARBPZSA-N	1	0	355.446	1.225	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2cccc(C)c2Cl)C[C@@H]1n1ccnn1	ZINC001129930307	938572741	/nfs/dbraw/zinc/57/27/41/938572741.db2.gz	CMDQZYXQUXIOMD-SJORKVTESA-N	1	0	371.872	1.847	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cccc3nccn32)C[C@@H]1n1ccnn1	ZINC001129930672	938573067	/nfs/dbraw/zinc/57/30/67/938573067.db2.gz	QKWIXVLNDLLYHQ-WBVHZDCISA-N	1	0	365.441	1.547	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2ccc(Cl)cc2)C[C@@H]1n1ccnn1	ZINC001129949026	938573741	/nfs/dbraw/zinc/57/37/41/938573741.db2.gz	LHQVUULWCDNSNY-MSOLQXFVSA-N	1	0	371.872	1.929	20	30		FDEDRO
C#CCN(Cc1ccccc1)C(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1	ZINC000804835558	938590957	/nfs/dbraw/zinc/59/09/57/938590957.db2.gz	RBOJPZSYZRUCRV-VQTJNVASSA-N	1	0	367.493	1.981	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H]([NH2+]CCc2ccnn2C)[C@@H](n2ccnn2)C1	ZINC001129978150	938593721	/nfs/dbraw/zinc/59/37/21/938593721.db2.gz	SYWYIDAXBVFCMH-NXHRZFHOSA-N	1	0	371.489	1.198	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2CCC(F)CC2)C[C@@H]1n1ccnn1	ZINC001129995793	938604349	/nfs/dbraw/zinc/60/43/49/938604349.db2.gz	JPZQIOFUVCALDB-BACDZXNISA-N	1	0	365.453	1.351	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H]([NH2+]CCn3cccn3)[C@@H](n3ccnn3)C2)CC1	ZINC001129999090	938606584	/nfs/dbraw/zinc/60/65/84/938606584.db2.gz	JYGIEAJPNWNJAG-SJORKVTESA-N	1	0	369.473	1.263	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cc2C)C[C@@H]1n1ccnn1	ZINC001130000512	938607470	/nfs/dbraw/zinc/60/74/70/938607470.db2.gz	BRSPALOGUQBHJD-UAGQMJEPSA-N	1	0	370.457	1.697	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCc2ccc(OC)cc2)C[C@@H]1n1ccnn1	ZINC001129988471	938611474	/nfs/dbraw/zinc/61/14/74/938611474.db2.gz	UJOHMJRAWZLHIS-MOPGFXCFSA-N	1	0	367.453	1.284	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCc3ccccc3OC2)CC1	ZINC000804899570	938612766	/nfs/dbraw/zinc/61/27/66/938612766.db2.gz	YCPQKWJVPVHLCR-GOSISDBHSA-N	1	0	371.481	1.653	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ncccc2OCCC)C[C@@H]1n1ccnn1	ZINC001129992047	938613926	/nfs/dbraw/zinc/61/39/26/938613926.db2.gz	JKYOZESQDVIHSR-CVEARBPZSA-N	1	0	370.457	1.693	20	30		FDEDRO
CC[C@@H]1C[C@H]1C(=O)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001130011873	938614422	/nfs/dbraw/zinc/61/44/22/938614422.db2.gz	BMYNZOHLLJRSKY-WTGUMLROSA-N	1	0	363.465	1.717	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(F)c(OC)c2)C[C@@H]1n1ccnn1	ZINC001130014689	938616086	/nfs/dbraw/zinc/61/60/86/938616086.db2.gz	ZUZNRXRZGNQKLW-CVEARBPZSA-N	1	0	359.405	1.657	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(F)c(F)c(F)c2)C[C@@H]1n1ccnn1	ZINC001130020395	938619206	/nfs/dbraw/zinc/61/92/06/938619206.db2.gz	DLQNUGQAYRGYSW-CABCVRRESA-N	1	0	363.343	1.374	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)cc2Cl)C[C@@H]1n1ccnn1	ZINC001130020805	938619884	/nfs/dbraw/zinc/61/98/84/938619884.db2.gz	YERXGKXFRBTKFZ-SJORKVTESA-N	1	0	357.845	1.919	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)COc2cccnc2)C[C@@H]1n1ccnn1	ZINC001130040742	938627183	/nfs/dbraw/zinc/62/71/83/938627183.db2.gz	JYWPEMDEMWMYPS-SJORKVTESA-N	1	0	356.430	1.060	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130024633	938628867	/nfs/dbraw/zinc/62/88/67/938628867.db2.gz	ZNBIULQUHJAJME-ZCNNSNEGSA-N	1	0	365.481	1.912	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCn2ccnc2C(C)C)C[C@@H]1n1ccnn1	ZINC001130028084	938630214	/nfs/dbraw/zinc/63/02/14/938630214.db2.gz	HHWMGKRDQCEMBH-SJORKVTESA-N	1	0	369.473	1.053	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc3cccnn32)C[C@@H]1n1ccnn1	ZINC001130030731	938632239	/nfs/dbraw/zinc/63/22/39/938632239.db2.gz	OSJPVPVAEZSSBP-AEFFLSMTSA-N	1	0	365.441	1.547	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H]([NH2+]CCC(=C)C)[C@@H](n3ccnn3)C2)nn1	ZINC001130033763	938634298	/nfs/dbraw/zinc/63/42/98/938634298.db2.gz	DOEUJNDMZZBAQA-WBVHZDCISA-N	1	0	370.461	1.067	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnn(CCC)c2C)C[C@@H]1n1ccnn1	ZINC001130054867	938640026	/nfs/dbraw/zinc/64/00/26/938640026.db2.gz	ULYLQBOLIVOSAC-MSOLQXFVSA-N	1	0	371.489	1.815	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c(C)nn(CC)c2C)C[C@@H]1n1ccnn1	ZINC001130044063	938643250	/nfs/dbraw/zinc/64/32/50/938643250.db2.gz	OFNLQVLQRDUNNO-SJORKVTESA-N	1	0	371.489	1.733	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn3ccccc23)C[C@@H]1n1ccnn1	ZINC001130046048	938645246	/nfs/dbraw/zinc/64/52/46/938645246.db2.gz	GIFHBJIIGVFDAE-WBVHZDCISA-N	1	0	351.414	1.157	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ncccc2F)C[C@@H]1n1ccnn1	ZINC001130057198	938647787	/nfs/dbraw/zinc/64/77/87/938647787.db2.gz	OAIPJHRCYGREEU-BMFZPTHFSA-N	1	0	358.421	1.822	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2c[nH]cc2C2CC2)C[C@@H]1n1ccnn1	ZINC001130062614	938650693	/nfs/dbraw/zinc/65/06/93/938650693.db2.gz	NSHXEHSFMKQSKS-MSOLQXFVSA-N	1	0	370.457	1.342	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3scnc3c2)C[C@@H]1n1ccnn1	ZINC001130067303	938655823	/nfs/dbraw/zinc/65/58/23/938655823.db2.gz	ZESYYCGBKJNDPE-CVEARBPZSA-N	1	0	366.450	1.566	20	30		FDEDRO
C#CCCCS(=O)(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO	ZINC000805058275	938656174	/nfs/dbraw/zinc/65/61/74/938656174.db2.gz	QRSUBKXQDGUUEJ-SFHVURJKSA-N	1	0	350.484	1.476	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3nccn3c2)C[C@@H]1n1ccnn1	ZINC001130083780	938665304	/nfs/dbraw/zinc/66/53/04/938665304.db2.gz	JLSFLMFCZTVLMZ-CVEARBPZSA-N	1	0	351.414	1.157	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@](C)(OC)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130088936	938675585	/nfs/dbraw/zinc/67/55/85/938675585.db2.gz	PVEANMHCMIFDST-WSTZPKSXSA-N	1	0	367.453	1.205	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]CCC(C)(C)C)[C@@H](n3ccnn3)C2)cn1	ZINC001130091315	938676762	/nfs/dbraw/zinc/67/67/62/938676762.db2.gz	LEYRZQZEMCHRML-MSOLQXFVSA-N	1	0	366.469	1.746	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3c(s2)CCOC3)C[C@@H]1n1ccnn1	ZINC001130091518	938677172	/nfs/dbraw/zinc/67/71/72/938677172.db2.gz	YEDMJOHJEKBGCK-CABCVRRESA-N	1	0	371.466	1.091	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)cc2OC)C[C@@H]1n1ccnn1	ZINC001130101989	938679663	/nfs/dbraw/zinc/67/96/63/938679663.db2.gz	ARUQLBRWSJZBOI-SJORKVTESA-N	1	0	371.441	1.527	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+][C@H](C)CCC=C)[C@@H](n3ccnn3)C2)nc1	ZINC001130094862	938679752	/nfs/dbraw/zinc/67/97/52/938679752.db2.gz	SUWCISDHELTDFV-LZQZEXGQSA-N	1	0	364.453	1.664	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)C(C)(C)C)C[C@@H]1n1ccnn1	ZINC001130105241	938686218	/nfs/dbraw/zinc/68/62/18/938686218.db2.gz	RPYWSUDVXVJOQA-ZACQAIPSSA-N	1	0	361.490	1.342	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3cccnc3C2)C[C@@H]1n1ccnn1	ZINC001130105306	938686269	/nfs/dbraw/zinc/68/62/69/938686269.db2.gz	VRKLFTQIWLQOTL-NXHRZFHOSA-N	1	0	352.442	1.006	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C[C@H]2OCc3ccccc32)C[C@@H]1n1ccnn1	ZINC001130107549	938687598	/nfs/dbraw/zinc/68/75/98/938687598.db2.gz	QSYIDHONBNFQPV-CEXWTWQISA-N	1	0	367.453	1.857	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3ccc(Cl)cc32)C[C@@H]1n1ccnn1	ZINC001130110062	938688971	/nfs/dbraw/zinc/68/89/71/938688971.db2.gz	RYUJLGXIBFQYNL-KSZLIROESA-N	1	0	369.856	1.636	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001130112409	938691120	/nfs/dbraw/zinc/69/11/20/938691120.db2.gz	YDPHZUPAVBNQSF-MOPGFXCFSA-N	1	0	369.469	1.753	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COc2cccc(CC)c2)C[C@@H]1n1ccnn1	ZINC001130112585	938692331	/nfs/dbraw/zinc/69/23/31/938692331.db2.gz	HPWBXTABBQUICL-MOPGFXCFSA-N	1	0	369.469	1.837	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCOc2cc(C)ccc2C)C[C@@H]1n1ccnn1	ZINC001130112731	938692592	/nfs/dbraw/zinc/69/25/92/938692592.db2.gz	OIQDHGJWXQDZGL-MSOLQXFVSA-N	1	0	369.469	1.892	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(C)n(C)c2C)C[C@@H]1n1ccnn1	ZINC001130115127	938694509	/nfs/dbraw/zinc/69/45/09/938694509.db2.gz	VKDMWHZSOBTMKX-MSOLQXFVSA-N	1	0	356.474	1.855	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(C)nc2)C[C@@H]1n1ccnn1	ZINC001130125328	938696282	/nfs/dbraw/zinc/69/62/82/938696282.db2.gz	HIQDTBMIVMKSQB-MSOLQXFVSA-N	1	0	354.458	1.532	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCOc2ccccc2C)C[C@@H]1n1ccnn1	ZINC001130125469	938696592	/nfs/dbraw/zinc/69/65/92/938696592.db2.gz	PPTXOUMFWNCQOV-MSOLQXFVSA-N	1	0	367.453	1.420	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(Cl)cn2CC)C[C@@H]1n1ccnn1	ZINC001130125643	938696997	/nfs/dbraw/zinc/69/69/97/938696997.db2.gz	YKYGCECIEZRCQD-ZBFHGGJFSA-N	1	0	360.849	1.432	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(=O)[nH]c2C)C[C@@H]1n1ccnn1	ZINC001130129536	938698924	/nfs/dbraw/zinc/69/89/24/938698924.db2.gz	MOPOZFMUUOAWSJ-CABCVRRESA-N	1	0	356.430	1.227	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COc2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001130118532	938701723	/nfs/dbraw/zinc/70/17/23/938701723.db2.gz	KHHUVGKUPOMAAR-MSOLQXFVSA-N	1	0	355.442	1.583	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COc2ccccc2F)C[C@@H]1n1ccnn1	ZINC001130123129	938705051	/nfs/dbraw/zinc/70/50/51/938705051.db2.gz	HZXYRJNPJBSHIW-CVEARBPZSA-N	1	0	359.405	1.414	20	30		FDEDRO
C=CC[C@@H](Cc1ccccc1)C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1	ZINC001130132401	938707449	/nfs/dbraw/zinc/70/74/49/938707449.db2.gz	DHIXNSFNPFAKPB-OTWHNJEPSA-N	1	0	369.469	1.047	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCCn2cccn2)C[C@@H]1n1ccnn1	ZINC001130132861	938707992	/nfs/dbraw/zinc/70/79/92/938707992.db2.gz	UBPMSKWRDSADEJ-SJORKVTESA-N	1	0	357.462	1.263	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001130137204	938710103	/nfs/dbraw/zinc/71/01/03/938710103.db2.gz	NLXDDFKDCQGUMY-IPELMVKDSA-N	1	0	369.444	1.976	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2ccsc2)[C@@H](n2ccnn2)C1	ZINC001130151009	938715360	/nfs/dbraw/zinc/71/53/60/938715360.db2.gz	FTTPAPFLXAFORS-IMJJTQAJSA-N	1	0	361.471	1.472	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]([NH2+]CC2CCCCC2)[C@@H](n2ccnn2)C1	ZINC001130151473	938716026	/nfs/dbraw/zinc/71/60/26/938716026.db2.gz	SIKQBQNAGLFRHN-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc(COC)s2)C[C@@H]1n1ccnn1	ZINC001130155650	938718841	/nfs/dbraw/zinc/71/88/41/938718841.db2.gz	UPZMMZHDRAORDU-OLZOCXBDSA-N	1	0	362.459	1.112	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC23CCOCC3)C[C@@H]1n1ccnn1	ZINC001130158846	938720401	/nfs/dbraw/zinc/72/04/01/938720401.db2.gz	UXDBTYJCRFDACL-BBWFWOEESA-N	1	0	359.474	1.403	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CC(F)(F)C(F)(F)F)C[C@@H]1n1ccnn1	ZINC001130163880	938722289	/nfs/dbraw/zinc/72/22/89/938722289.db2.gz	WLTIAKNDDGSXBO-MNOVXSKESA-N	1	0	365.306	1.231	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccncc2)[nH]1	ZINC001130181223	938728589	/nfs/dbraw/zinc/72/85/89/938728589.db2.gz	BMTCWPDZDSUYLX-GJZGRUSLSA-N	1	0	356.430	1.168	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=C(C)C2CC2)[nH]1	ZINC001130187049	938732906	/nfs/dbraw/zinc/73/29/06/938732906.db2.gz	SWMJDOYXJXWNQC-TZCWYCDXSA-N	1	0	357.458	1.263	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)SC)[nH]1	ZINC001130187836	938733967	/nfs/dbraw/zinc/73/39/67/938733967.db2.gz	MBBCUBYGEOFPDK-RDBSUJKOSA-N	1	0	367.519	1.601	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](CC)OCC)[nH]1	ZINC001130190772	938735957	/nfs/dbraw/zinc/73/59/57/938735957.db2.gz	NIYLSBRRPWAUQB-KKUMJFAQSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CC(C)C2)[nH]1	ZINC001130198437	938740322	/nfs/dbraw/zinc/74/03/22/938740322.db2.gz	LDCGXSRUGNHOGY-CKUJCDMFSA-N	1	0	361.490	1.895	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2occc2C)[nH]1	ZINC001130183077	938742359	/nfs/dbraw/zinc/74/23/59/938742359.db2.gz	OMQXXOKXHNDLDX-KBPBESRZSA-N	1	0	357.414	1.122	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](CC)CCCC)n1	ZINC001130185009	938744111	/nfs/dbraw/zinc/74/41/11/938744111.db2.gz	RLOQLEPVSBTXKD-PMPSAXMXSA-N	1	0	361.490	1.733	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[C@@H]2CCCO2)[nH]1	ZINC001130185105	938744419	/nfs/dbraw/zinc/74/44/19/938744419.db2.gz	WWCADCPSWSWMSK-KKUMJFAQSA-N	1	0	363.462	1.028	20	30		FDEDRO
C=CCOCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCCC)[nH]1	ZINC001130203061	938744824	/nfs/dbraw/zinc/74/48/24/938744824.db2.gz	RCYOXCNSDWFRRC-GJZGRUSLSA-N	1	0	365.478	1.276	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC2(F)F)[nH]1	ZINC001130207747	938746850	/nfs/dbraw/zinc/74/68/50/938746850.db2.gz	NWECEBARWRHBHS-SRVKXCTJSA-N	1	0	355.389	1.114	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H](C)SC)[nH]1	ZINC001130200288	938753868	/nfs/dbraw/zinc/75/38/68/938753868.db2.gz	GIGAUXJLRUTNFT-RDBSUJKOSA-N	1	0	367.519	1.601	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=CC2CC2)[nH]1	ZINC001130202637	938755190	/nfs/dbraw/zinc/75/51/90/938755190.db2.gz	FYUDWOHOXXOQLD-FLELRFNZSA-N	1	0	359.474	1.815	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)C2CCC2)[nH]1	ZINC001130220681	938756151	/nfs/dbraw/zinc/75/61/51/938756151.db2.gz	IPLIRLHGEULXBU-BPUTZDHNSA-N	1	0	361.490	1.895	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(C)c(F)c2)n1	ZINC001130223633	938757417	/nfs/dbraw/zinc/75/74/17/938757417.db2.gz	ZIHPWZNLEWHIGJ-HOCLYGCPSA-N	1	0	371.416	1.278	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H]2C[C@H]2C2CC2)[nH]1	ZINC001130223628	938757505	/nfs/dbraw/zinc/75/75/05/938757505.db2.gz	ZGOHZXQDACPSDA-VGWMRTNUSA-N	1	0	359.474	1.505	20	30		FDEDRO
CC#CCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC#CC)n[nH]1	ZINC001130229701	938763116	/nfs/dbraw/zinc/76/31/16/938763116.db2.gz	AJWYTRIUMJXJBJ-HOTGVXAUSA-N	1	0	357.458	1.100	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H]2CC=CCC2)n1	ZINC001130229979	938763693	/nfs/dbraw/zinc/76/36/93/938763693.db2.gz	LIOSCRJSBBEFLP-JYJNAYRXSA-N	1	0	357.458	1.263	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CC3(CCC3)C2)[nH]1	ZINC001130230366	938763982	/nfs/dbraw/zinc/76/39/82/938763982.db2.gz	VDXROKRFLJIVGX-HOTGVXAUSA-N	1	0	371.485	1.487	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2occc2Cl)n1	ZINC001130232374	938764926	/nfs/dbraw/zinc/76/49/26/938764926.db2.gz	FMYUXPKIIDAYPS-JQWIXIFHSA-N	1	0	363.805	1.076	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(Cl)[nH]2)[nH]1	ZINC001130232668	938764942	/nfs/dbraw/zinc/76/49/42/938764942.db2.gz	NAVVUBXSHQDJQI-JQWIXIFHSA-N	1	0	364.837	1.364	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CCC(F)CC2)[nH]1	ZINC001130234706	938765819	/nfs/dbraw/zinc/76/58/19/938765819.db2.gz	ISGTZILQRUDXIW-WUCCLRPBSA-N	1	0	365.453	1.597	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2nccs2)[nH]1	ZINC001130242150	938769137	/nfs/dbraw/zinc/76/91/37/938769137.db2.gz	IQGIHLWTXVIFLZ-RYUDHWBXSA-N	1	0	362.459	1.229	20	30		FDEDRO
C=CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2cncnc2)CC1	ZINC001130282300	938779739	/nfs/dbraw/zinc/77/97/39/938779739.db2.gz	RLQVWDNGBNPCOP-MJGOQNOKSA-N	1	0	371.485	1.532	20	30		FDEDRO
C=CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2cnccn2)CC1	ZINC001130269207	938784025	/nfs/dbraw/zinc/78/40/25/938784025.db2.gz	DWLWUAXXKZJKTC-APWZRJJASA-N	1	0	371.485	1.532	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)/C=C(\C)C2CC2)CC1	ZINC001130274241	938786184	/nfs/dbraw/zinc/78/61/84/938786184.db2.gz	CUAGKNVSCXPSLK-IRPQCHLDSA-N	1	0	357.498	1.841	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CSC(C)C)CC1	ZINC001130274540	938786721	/nfs/dbraw/zinc/78/67/21/938786721.db2.gz	SUJLHQBEZSVMMD-QAPCUYQASA-N	1	0	353.532	1.789	20	30		FDEDRO
CC(C)[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CSCC#N)CC1	ZINC001130274592	938787094	/nfs/dbraw/zinc/78/70/94/938787094.db2.gz	VOPODRLQFZLHKC-PBHICJAKSA-N	1	0	352.504	1.127	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+]([C@@H](C)COC)CC1	ZINC001130276470	938787272	/nfs/dbraw/zinc/78/72/72/938787272.db2.gz	BKGAZERSIDCFJO-GMBSWORKSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)OCC)CC1	ZINC001130276542	938787292	/nfs/dbraw/zinc/78/72/92/938787292.db2.gz	FBWIPGGIUKANGU-SUMDDJOVSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+]([C@H](C)COC)CC1	ZINC001130276471	938787362	/nfs/dbraw/zinc/78/73/62/938787362.db2.gz	BKGAZERSIDCFJO-OGWOLHLISA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)OCC)CC1	ZINC001130276691	938787511	/nfs/dbraw/zinc/78/75/11/938787511.db2.gz	LGOPKOGGRJUMBY-LESCRADOSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C(C)CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)OC)CC1	ZINC001130276933	938788078	/nfs/dbraw/zinc/78/80/78/938788078.db2.gz	VQNCWOKIYPRCKU-KYJSFNMBSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@H](F)CC)CC1	ZINC001130279004	938789320	/nfs/dbraw/zinc/78/93/20/938789320.db2.gz	PJYFHTAHUNRZRQ-MDZRGWNJSA-N	1	0	369.481	1.413	20	30		FDEDRO
C=CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](CC)OC)CC1	ZINC001130285562	938790342	/nfs/dbraw/zinc/79/03/42/938790342.db2.gz	KLAUACIABSPIHH-AOIWGVFYSA-N	1	0	365.518	1.853	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)CSC)CC1	ZINC001130286052	938790906	/nfs/dbraw/zinc/79/09/06/938790906.db2.gz	VJGABKZEGYZMBC-UNEWFSDZSA-N	1	0	351.516	1.094	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(C)(C)C(F)F)CC1	ZINC001130298692	938798734	/nfs/dbraw/zinc/79/87/34/938798734.db2.gz	CDLPQZNOVZXHJH-ZBFHGGJFSA-N	1	0	369.456	1.776	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCO)CC1	ZINC001130298911	938798961	/nfs/dbraw/zinc/79/89/61/938798961.db2.gz	MEMLIDCKKOYJNF-KPFFTGBYSA-N	1	0	365.518	1.447	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCn2cccc2)CC1	ZINC001130304815	938803141	/nfs/dbraw/zinc/80/31/41/938803141.db2.gz	ASVMHMLGEFWBEV-NQIIRXRSSA-N	1	0	370.497	1.377	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)CCOC)CC1	ZINC001130306893	938804793	/nfs/dbraw/zinc/80/47/93/938804793.db2.gz	CUOPMDZXSRRNLD-SUMDDJOVSA-N	1	0	363.502	1.158	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C3=COCCO3)C2)cc1C#N	ZINC001086635514	938841116	/nfs/dbraw/zinc/84/11/16/938841116.db2.gz	SCQJPHFKGFZYKT-DOTOQJQBSA-N	1	0	371.437	1.830	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1	ZINC001130426982	938844979	/nfs/dbraw/zinc/84/49/79/938844979.db2.gz	KZNOMKIWLDDGFT-HPBDAGMYSA-N	1	0	374.485	1.585	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2cccc(F)c2C#N)C1	ZINC000747284779	938855862	/nfs/dbraw/zinc/85/58/62/938855862.db2.gz	FFXOSXATROFVKZ-AWEZNQCLSA-N	1	0	369.462	1.819	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130488488	938880690	/nfs/dbraw/zinc/88/06/90/938880690.db2.gz	XLWQCPGBOQLZIE-UWWQBHOKSA-N	1	0	356.474	1.706	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CCSCC)C[C@H]1c1cn(C)cn1	ZINC001130516563	938894084	/nfs/dbraw/zinc/89/40/84/938894084.db2.gz	JWKSZNGBJVNBPK-DOTOQJQBSA-N	1	0	366.531	1.650	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)c2cc(Br)cc(N)c2N)CC1	ZINC001136630655	945232922	/nfs/dbraw/zinc/23/29/22/945232922.db2.gz	VZXUXKVJDHUDSE-UHFFFAOYSA-N	1	0	352.236	1.331	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOCCCC)C1	ZINC001130573894	939874141	/nfs/dbraw/zinc/87/41/41/939874141.db2.gz	DUGMIPYZNKMMAU-PKOBYXMFSA-N	1	0	360.502	1.924	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnnn2CC)C[C@H]1c1cn(C)cn1	ZINC001130578414	939890440	/nfs/dbraw/zinc/89/04/40/939890440.db2.gz	MBODUCARQGCEAU-HLLBOEOZSA-N	1	0	371.489	1.584	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(CC(C)C)n2)C[C@H]1c1cn(C)cn1	ZINC001130590127	939895970	/nfs/dbraw/zinc/89/59/70/939895970.db2.gz	AJVUXODNZDXNSM-MAUKXSAKSA-N	1	0	368.485	1.563	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3n[nH]cc32)C[C@H]1c1cn(C)cn1	ZINC001130590347	939897097	/nfs/dbraw/zinc/89/70/97/939897097.db2.gz	LWMYEXJDDRQJFO-SIXWZSSISA-N	1	0	366.469	1.171	20	30		FDEDRO
Cn1cnc([C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2[NH2+]Cc2cncn2C)c1	ZINC001130592872	939900042	/nfs/dbraw/zinc/90/00/42/939900042.db2.gz	IZNBXUWNEROIJA-FUHWJXTLSA-N	1	0	368.485	1.287	20	30		FDEDRO
Cn1cnc([C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2[NH2+]Cc2cnn(C)c2)c1	ZINC001130593156	939900383	/nfs/dbraw/zinc/90/03/83/939900383.db2.gz	SGGOXWMGIYJHNL-FUHWJXTLSA-N	1	0	368.485	1.287	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)c1C#N	ZINC000806381216	939907708	/nfs/dbraw/zinc/90/77/08/939907708.db2.gz	VAWUEBSXEBAMGP-MRXNPFEDSA-N	1	0	370.388	1.704	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnc3cc[nH]c3c2)C[C@H]1c1cn(C)cn1	ZINC001130611618	939909336	/nfs/dbraw/zinc/90/93/36/939909336.db2.gz	BWDPJAJIQXUDTQ-HNAYVOBHSA-N	1	0	362.437	1.518	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2cnc(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130615310	939912901	/nfs/dbraw/zinc/91/29/01/939912901.db2.gz	PURSFVOXDKJKTE-FUHWJXTLSA-N	1	0	368.485	1.268	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCC2CCOCC2)C[C@H]1c1cn(C)cn1	ZINC001130603083	939914929	/nfs/dbraw/zinc/91/49/29/939914929.db2.gz	YABIXGIVOZXAOW-PKOBYXMFSA-N	1	0	358.486	1.534	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@H](C)C(=O)NC)C1	ZINC001130605190	939916794	/nfs/dbraw/zinc/91/67/94/939916794.db2.gz	YGNJLLKUWDDRHH-IJEWVQPXSA-N	1	0	361.490	1.041	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COCC2CCCC2)C[C@H]1c1cn(C)cn1	ZINC001130607866	939919643	/nfs/dbraw/zinc/91/96/43/939919643.db2.gz	OJFPLOKMQBEVLI-PKOBYXMFSA-N	1	0	358.486	1.534	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)c(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130625892	939923437	/nfs/dbraw/zinc/92/34/37/939923437.db2.gz	ARNLQASIKCWDDJ-QFBILLFUSA-N	1	0	351.454	1.653	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cn(C)ccc2=O)C[C@H]1c1cn(C)cn1	ZINC001130626910	939924609	/nfs/dbraw/zinc/92/46/09/939924609.db2.gz	TVNDXDQLODNVRC-MAUKXSAKSA-N	1	0	369.469	1.283	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2ccncc2)C[C@H]1c1cn(C)cn1	ZINC001130615738	939925992	/nfs/dbraw/zinc/92/59/92/939925992.db2.gz	ZZUYWTPDMVJUGD-IMFGXOCKSA-N	1	0	365.481	1.916	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(F)cn2)C[C@H]1c1cn(C)cn1	ZINC001130619192	939929743	/nfs/dbraw/zinc/92/97/43/939929743.db2.gz	GHYOUQJZSONBCR-FUHWJXTLSA-N	1	0	357.433	1.657	20	30		FDEDRO
N#Cc1c(C#N)c2c(nc1NCCOCCOCC[NH3+])CCCCCC2	ZINC001170508448	939942174	/nfs/dbraw/zinc/94/21/74/939942174.db2.gz	ODJLBOPJLFLJDV-UHFFFAOYSA-N	1	0	357.458	1.888	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(OC)ccn2)C[C@H]1c1cn(C)cn1	ZINC001130639882	939942212	/nfs/dbraw/zinc/94/22/12/939942212.db2.gz	QJJJGERGLRSNHM-MAUKXSAKSA-N	1	0	353.426	1.045	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@H]2CCOC2)C1	ZINC001130649293	939944210	/nfs/dbraw/zinc/94/42/10/939944210.db2.gz	DSOGMBYVMMYJTK-ZIFCJYIRSA-N	1	0	358.486	1.534	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cocc2C)C[C@H]1c1cn(C)cn1	ZINC001130642048	939949428	/nfs/dbraw/zinc/94/94/28/939949428.db2.gz	CHMIULBUOFZKGC-MAUKXSAKSA-N	1	0	358.442	1.722	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ocnc2C)C1	ZINC001130644140	939952522	/nfs/dbraw/zinc/95/25/22/939952522.db2.gz	IYNRZPQMRADVPP-FUHWJXTLSA-N	1	0	369.469	1.994	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(=O)NCC)C1	ZINC001130656754	939960844	/nfs/dbraw/zinc/96/08/44/939960844.db2.gz	OJXVNCNOQSEDQN-YQQAZPJKSA-N	1	0	361.490	1.043	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc[nH]1	ZINC000806522241	939962800	/nfs/dbraw/zinc/96/28/00/939962800.db2.gz	BQJBKEZRRZWACJ-HNNXBMFYSA-N	1	0	367.453	1.654	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccnc2OC)C[C@H]1c1cn(C)cn1	ZINC001130659455	939965617	/nfs/dbraw/zinc/96/56/17/939965617.db2.gz	NGQHHLGDOGLNEQ-DOTOQJQBSA-N	1	0	353.426	1.045	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2CCC)C[C@H]1c1cn(C)cn1	ZINC001130667365	939969374	/nfs/dbraw/zinc/96/93/74/939969374.db2.gz	XBSINHHXLUIEIU-XLMAVXFVSA-N	1	0	373.501	1.043	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2cncs2)C[C@H]1c1cn(C)cn1	ZINC001130672774	939972062	/nfs/dbraw/zinc/97/20/62/939972062.db2.gz	YKRRQEZMZCCXSH-DOTOQJQBSA-N	1	0	357.483	1.417	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1c1cn(C)cn1	ZINC001130675592	939973533	/nfs/dbraw/zinc/97/35/33/939973533.db2.gz	XFJBXCVRWGODIB-DZGCQCFKSA-N	1	0	350.413	1.763	20	30		FDEDRO
CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCC#N)C1)C(C)C	ZINC001130692581	939981366	/nfs/dbraw/zinc/98/13/66/939981366.db2.gz	RTYRKENDBRFJJJ-CGTJXYLNSA-N	1	0	360.506	1.194	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)CC(F)(F)F)C[C@H]1c1cn(C)cn1	ZINC001130706343	939987977	/nfs/dbraw/zinc/98/79/77/939987977.db2.gz	AGWNTBMMKDTENP-GXTWGEPZSA-N	1	0	356.392	1.916	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCn2ccnc2C)C[C@H]1c1cn(C)cn1	ZINC001130695445	939990134	/nfs/dbraw/zinc/99/01/34/939990134.db2.gz	SIUIQJIKXIMVTP-FUHWJXTLSA-N	1	0	356.474	1.475	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COc2ccsc2)C[C@H]1c1cn(C)cn1	ZINC001130709871	939997679	/nfs/dbraw/zinc/99/76/79/939997679.db2.gz	FVUDKJKRKNTNHE-DOTOQJQBSA-N	1	0	358.467	1.468	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC[C@H](C)F)C2)cn1	ZINC001130715234	940007661	/nfs/dbraw/zinc/00/76/61/940007661.db2.gz	UNYSIHBWVUMUOB-UCLAIMLFSA-N	1	0	369.444	1.742	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2c(C)noc2C)C[C@H]1c1cn(C)cn1	ZINC001130723771	940028825	/nfs/dbraw/zinc/02/88/25/940028825.db2.gz	WWQQXLHDSVGHGP-FUHWJXTLSA-N	1	0	357.458	1.728	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](OCC)c2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130741460	940032300	/nfs/dbraw/zinc/03/23/00/940032300.db2.gz	DBUCEEZSVBLZCN-SXLOBPIMSA-N	1	0	366.465	1.715	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@@H](CC)OC)C1	ZINC001130741859	940046190	/nfs/dbraw/zinc/04/61/90/940046190.db2.gz	SQFGGYIJPWIWEZ-SOLBZPMBSA-N	1	0	364.490	1.322	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130742016	940046563	/nfs/dbraw/zinc/04/65/63/940046563.db2.gz	WGKCSKCGBPXVFA-FUHWJXTLSA-N	1	0	368.485	1.805	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1	ZINC000806788300	940050272	/nfs/dbraw/zinc/05/02/72/940050272.db2.gz	RXUSIPDQHNQDHW-CQSZACIVSA-N	1	0	372.307	1.925	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C=Cc3ccco3)n2)O1	ZINC001130746285	940051161	/nfs/dbraw/zinc/05/11/61/940051161.db2.gz	AGJAHQSSZFRCOB-VKGGURKZSA-N	1	0	355.398	1.170	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(C)(C)F)n2)O1	ZINC001130749280	940054999	/nfs/dbraw/zinc/05/49/99/940054999.db2.gz	CBCFWFZNMDCMBF-QWHCGFSZSA-N	1	0	353.442	1.945	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccncc3)n2)O1	ZINC001130749339	940055334	/nfs/dbraw/zinc/05/53/34/940055334.db2.gz	FXWLEJPHYIQCPA-JKSUJKDBSA-N	1	0	370.457	1.906	20	30		FDEDRO
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)c1	ZINC000806808519	940060029	/nfs/dbraw/zinc/06/00/29/940060029.db2.gz	GTXALLCHJAFWSY-SOLBZPMBSA-N	1	0	374.485	1.964	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC3CCCC3)n2)O1	ZINC001130753231	940062818	/nfs/dbraw/zinc/06/28/18/940062818.db2.gz	XZSPVVITAISJBQ-JKSUJKDBSA-N	1	0	359.474	1.834	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(C)nc3)n2)O1	ZINC001130761525	940066949	/nfs/dbraw/zinc/06/69/49/940066949.db2.gz	AMJIJYKYWUAPGA-JKSUJKDBSA-N	1	0	368.441	1.271	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCC)O2)n[nH]1	ZINC001130761855	940068439	/nfs/dbraw/zinc/06/84/39/940068439.db2.gz	HQSDPUUZDXOYNK-SOUVJXGZSA-N	1	0	365.478	1.622	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C)c(C)o3)n2)O1	ZINC001130774750	940091120	/nfs/dbraw/zinc/09/11/20/940091120.db2.gz	BJDDCHWHXVTWPV-UONOGXRCSA-N	1	0	357.414	1.387	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)COC)n2)O1	ZINC001130769432	940106347	/nfs/dbraw/zinc/10/63/47/940106347.db2.gz	JIJJKLPMDPRWKZ-MELADBBJSA-N	1	0	351.451	1.089	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[C@@H](C)OC)n2)O1	ZINC001130778328	940131605	/nfs/dbraw/zinc/13/16/05/940131605.db2.gz	RMXHDSDFPNWOKE-HZSPNIEDSA-N	1	0	351.451	1.232	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2[nH]cnc2C(=O)c2ccccc2)CC1	ZINC000806905398	940133455	/nfs/dbraw/zinc/13/34/55/940133455.db2.gz	IIGLRMNXUXHIAV-UHFFFAOYSA-N	1	0	350.422	1.858	20	30		FDEDRO
C#CCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C	ZINC000806912491	940139492	/nfs/dbraw/zinc/13/94/92/940139492.db2.gz	YTMRJEHWOSDRKK-SFHVURJKSA-N	1	0	355.482	1.933	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@]3(C)C[C@H]4C[C@H]4C3)n2)O1	ZINC001130794132	940145667	/nfs/dbraw/zinc/14/56/67/940145667.db2.gz	NFOQSRJEIZWJMO-JRWXATFMSA-N	1	0	359.474	1.853	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H](C=C)CC)n2)O1	ZINC001130795933	940149203	/nfs/dbraw/zinc/14/92/03/940149203.db2.gz	FGFXSYLAWQOILW-HRCADAONSA-N	1	0	359.474	1.856	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccsn3)n2)O1	ZINC001130792589	940171924	/nfs/dbraw/zinc/17/19/24/940171924.db2.gz	LLYMOXLJYKCCGJ-WCQYABFASA-N	1	0	360.443	1.024	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(CF)CC3)n2)O1	ZINC001130804580	940175696	/nfs/dbraw/zinc/17/56/96/940175696.db2.gz	MDSVUMFUUGHNSD-QWHCGFSZSA-N	1	0	351.426	1.556	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cnoc3CC)n2)O1	ZINC001130808985	940184350	/nfs/dbraw/zinc/18/43/50/940184350.db2.gz	ATSDQPKNIYIPGZ-SMDDNHRTSA-N	1	0	360.418	1.281	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](CCC)C(C)C)n2)O1	ZINC001130809225	940186715	/nfs/dbraw/zinc/18/67/15/940186715.db2.gz	MXEPKKLJZXODRF-ARFHVFGLSA-N	1	0	361.490	1.936	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC34CC4)n2)O1	ZINC001130809394	940188558	/nfs/dbraw/zinc/18/85/58/940188558.db2.gz	WDOBKYMSDCZOQW-RRFJBIMHSA-N	1	0	359.474	1.997	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](F)CC)n2)O1	ZINC001130799762	940193817	/nfs/dbraw/zinc/19/38/17/940193817.db2.gz	WUKYVQJDPQAFMV-MELADBBJSA-N	1	0	369.441	1.181	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(CC)CCC3)n2)O1	ZINC001130802527	940197841	/nfs/dbraw/zinc/19/78/41/940197841.db2.gz	YFYHGDKXWSCAQU-LSDHHAIUSA-N	1	0	359.474	1.834	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3C[C@H]3C3CC3)n2)O1	ZINC001130812040	940206707	/nfs/dbraw/zinc/20/67/07/940206707.db2.gz	YJPFOAGCDVAFHR-CAOSSQGBSA-N	1	0	357.458	1.300	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3nccs3)n2)O1	ZINC001130813054	940210427	/nfs/dbraw/zinc/21/04/27/940210427.db2.gz	GFMSQOQAAQYKJL-NWDGAFQWSA-N	1	0	360.443	1.024	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCn3cccc3)n2)O1	ZINC001130813792	940213162	/nfs/dbraw/zinc/21/31/62/940213162.db2.gz	XSQTWDPQUQCZBJ-JKSUJKDBSA-N	1	0	370.457	1.146	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cccc(C)c3C)n2)O1	ZINC001130817172	940220914	/nfs/dbraw/zinc/22/09/14/940220914.db2.gz	DDVHETLFEFIUDN-DOTOQJQBSA-N	1	0	367.453	1.794	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)C3CCCC3)n2)O1	ZINC001130817282	940222000	/nfs/dbraw/zinc/22/20/00/940222000.db2.gz	KCRYESSTDZVSGU-CWRNSKLLSA-N	1	0	359.474	1.690	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3c[nH]cc3C)n2)O1	ZINC001130817529	940223023	/nfs/dbraw/zinc/22/30/23/940223023.db2.gz	RETLLMDTRDEOSB-DZGCQCFKSA-N	1	0	356.430	1.204	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(F)cc3C)n2)O1	ZINC001130817765	940223854	/nfs/dbraw/zinc/22/38/54/940223854.db2.gz	YVNZBKDWWSZFBS-GOEBONIOSA-N	1	0	371.416	1.625	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H]3CCCOC3)n2)O1	ZINC001130820586	940228274	/nfs/dbraw/zinc/22/82/74/940228274.db2.gz	ZFHJEXQCIBYMLI-SOUVJXGZSA-N	1	0	363.462	1.233	20	30		FDEDRO
C#CCC(CC#C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C	ZINC000807149727	940257275	/nfs/dbraw/zinc/25/72/75/940257275.db2.gz	GYIVRVRUHQFVSP-IBGZPJMESA-N	1	0	353.466	1.055	20	30		FDEDRO
COc1ccc(CNC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cc1C#N	ZINC000747388534	940307671	/nfs/dbraw/zinc/30/76/71/940307671.db2.gz	ABRRLXMRAOWZCX-SFHVURJKSA-N	1	0	373.501	1.638	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc(C)cn2)C[C@H]1c1cncn1C	ZINC001130922852	940320646	/nfs/dbraw/zinc/32/06/46/940320646.db2.gz	XTZITLSZFVDILE-KZNAEPCWSA-N	1	0	370.501	1.864	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)n2cccn2)C[C@H]1c1cncn1C	ZINC001130921086	940331309	/nfs/dbraw/zinc/33/13/09/940331309.db2.gz	WERBKDOTISPKPO-BRWVUGGUSA-N	1	0	356.474	1.728	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@@H]2CCN(CC=C)C2=O)C1	ZINC001130935888	940332009	/nfs/dbraw/zinc/33/20/09/940332009.db2.gz	POPIFWPBKSKXPQ-BRWVUGGUSA-N	1	0	371.485	1.057	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO[C@H]2CC2(F)F)C1	ZINC001130935883	940332196	/nfs/dbraw/zinc/33/21/96/940332196.db2.gz	PMRRZAHYVHOFAF-FMKPAKJESA-N	1	0	368.428	1.695	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C(=O)C(C)(C)C)C[C@H]1c1cncn1C	ZINC001130938587	940338217	/nfs/dbraw/zinc/33/82/17/940338217.db2.gz	MMLHMZHOYZTMQY-HUUCEWRRSA-N	1	0	362.474	1.122	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C[C@H]1c1cncn1C	ZINC001130948594	940346894	/nfs/dbraw/zinc/34/68/94/940346894.db2.gz	RYBWJCGYYCRZFE-LYYGHALDSA-N	1	0	370.497	1.390	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnnc(C)c2)C[C@H]1c1cncn1C	ZINC001130968746	940376883	/nfs/dbraw/zinc/37/68/83/940376883.db2.gz	IITYMERQRZEUBZ-IAGOWNOFSA-N	1	0	354.458	1.683	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2cccnc2)C[C@H]1c1cncn1C	ZINC001130964389	940385549	/nfs/dbraw/zinc/38/55/49/940385549.db2.gz	IKVBTFMGCXOUCS-QZTJIDSGSA-N	1	0	353.470	1.908	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccn(C)c2)C[C@H]1c1cncn1C	ZINC001130964659	940386744	/nfs/dbraw/zinc/38/67/44/940386744.db2.gz	WXXVTTIVCVMQHL-IAGOWNOFSA-N	1	0	357.458	1.159	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccccn2)C1	ZINC001130977840	940409009	/nfs/dbraw/zinc/40/90/09/940409009.db2.gz	CRDXLLLCZCDKRJ-QZTJIDSGSA-N	1	0	351.454	1.703	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](c2cncn2C)[C@H](NCC(=C)Cl)C1	ZINC001130988504	940410256	/nfs/dbraw/zinc/41/02/56/940410256.db2.gz	FWNXNOJOCFEGED-HUUCEWRRSA-N	1	0	350.850	1.097	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@@H](F)CC)C1	ZINC001130988392	940410337	/nfs/dbraw/zinc/41/03/37/940410337.db2.gz	DJCQXYAFPOTDKT-ARFHVFGLSA-N	1	0	350.438	1.092	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(OC)ncn2)C[C@H]1c1cncn1C	ZINC001130988569	940410369	/nfs/dbraw/zinc/41/03/69/940410369.db2.gz	IVPAJGPYANWDFK-GDBMZVCRSA-N	1	0	370.457	1.383	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)n(C)n2)C[C@H]1c1cncn1C	ZINC001130989176	940411589	/nfs/dbraw/zinc/41/15/89/940411589.db2.gz	VXCYIEXIQZISPT-NVXWUHKLSA-N	1	0	368.485	1.498	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CSCN2C(=O)C(C)(C)C)CC1	ZINC000747403295	940412722	/nfs/dbraw/zinc/41/27/22/940412722.db2.gz	WDSZIFPCYPMDKC-OAHLLOKOSA-N	1	0	351.516	1.538	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cc(I)c[nH]2)CC1	ZINC000747404475	940415302	/nfs/dbraw/zinc/41/53/02/940415302.db2.gz	LARWNGAEXFXJRR-UHFFFAOYSA-N	1	0	371.222	1.837	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)CCC3)C[C@H]1c1cncn1C	ZINC001130994072	940416185	/nfs/dbraw/zinc/41/61/85/940416185.db2.gz	DLZWLEATRWTSOU-HZPDHXFCSA-N	1	0	368.485	1.727	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2[nH]cnc2C(C)(C)C)C[C@H]1c1cncn1C	ZINC001130994136	940416696	/nfs/dbraw/zinc/41/66/96/940416696.db2.gz	IJDVYXQYKAONDZ-HUUCEWRRSA-N	1	0	368.485	1.662	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2scnc2CC)C[C@H]1c1cncn1C	ZINC001131007626	940433796	/nfs/dbraw/zinc/43/37/96/940433796.db2.gz	CZACCHPLWCPNOT-UKRRQHHQSA-N	1	0	357.483	1.660	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCOCC)C2)CCC1	ZINC001131007657	940433941	/nfs/dbraw/zinc/43/39/41/940433941.db2.gz	FBHCQYPYTDGQGX-IAGOWNOFSA-N	1	0	358.486	1.534	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCOC)C1	ZINC001131007717	940434054	/nfs/dbraw/zinc/43/40/54/940434054.db2.gz	HUTZOYAUEYEOEF-IAGOWNOFSA-N	1	0	371.485	1.642	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(F)c(F)c2)C[C@H]1c1cncn1C	ZINC001131008208	940434753	/nfs/dbraw/zinc/43/47/53/940434753.db2.gz	XFQGFLZLYWFGPI-RHSMWYFYSA-N	1	0	358.392	1.919	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CC2(C(F)(F)F)CC2)C[C@H]1c1cncn1C	ZINC001131008228	940434794	/nfs/dbraw/zinc/43/47/94/940434794.db2.gz	XWMMXMIHKUYCFU-CHWSQXEVSA-N	1	0	354.376	1.670	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)nnc2CC)C[C@H]1c1cncn1C	ZINC001131018014	940439182	/nfs/dbraw/zinc/43/91/82/940439182.db2.gz	XRVDGLSDBXGIRV-SJLPKXTDSA-N	1	0	366.469	1.302	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1c1cncn1C	ZINC001131010240	940441087	/nfs/dbraw/zinc/44/10/87/940441087.db2.gz	FRMSDMFSPVGWLH-GDBMZVCRSA-N	1	0	370.457	1.173	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COc2cc(C)on2)C[C@H]1c1cncn1C	ZINC001131010293	940441248	/nfs/dbraw/zinc/44/12/48/940441248.db2.gz	IDCJXQBBFLXXDO-HUUCEWRRSA-N	1	0	359.430	1.256	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ncc(C)cc2OC)C[C@H]1c1cncn1C	ZINC001131012440	940444133	/nfs/dbraw/zinc/44/41/33/940444133.db2.gz	JDXVJTBHFIKIIM-HZPDHXFCSA-N	1	0	367.453	1.353	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnc3ccccn32)C[C@H]1c1cncn1C	ZINC001131019999	940452447	/nfs/dbraw/zinc/45/24/47/940452447.db2.gz	IMFPBTSMORVTQV-HZPDHXFCSA-N	1	0	362.437	1.289	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)c(C)n2)C[C@H]1c1cncn1C	ZINC001131031403	940454935	/nfs/dbraw/zinc/45/49/35/940454935.db2.gz	NOACNICJGQLJTF-SJLPKXTDSA-N	1	0	351.454	1.653	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCOC[C@@H]2CCCO2)C[C@H]1c1cncn1C	ZINC001131023014	940456387	/nfs/dbraw/zinc/45/63/87/940456387.db2.gz	NJZOXMDQAJVHRI-GVDBMIGSSA-N	1	0	362.474	1.076	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2onc3c2CCCC3)C[C@H]1c1cncn1C	ZINC001131028873	940463669	/nfs/dbraw/zinc/46/36/69/940463669.db2.gz	NNSJLPMKCQHTLR-NVXWUHKLSA-N	1	0	367.453	1.508	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)COCC(F)F)C[C@H]1c1cncn1C	ZINC001131038300	940466410	/nfs/dbraw/zinc/46/64/10/940466410.db2.gz	KNFMLMUCYCAEMB-ZIAGYGMSSA-N	1	0	370.444	1.798	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)[nH]c2=O)C[C@H]1c1cncn1C	ZINC001131038410	940466587	/nfs/dbraw/zinc/46/65/87/940466587.db2.gz	QCMQOFCGGCBNSC-HZPDHXFCSA-N	1	0	369.469	1.911	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+][C@@H](C)COC)C2)cc1	ZINC001131039912	940467894	/nfs/dbraw/zinc/46/78/94/940467894.db2.gz	AUSBUDLVYAWUMS-KFKAGJAMSA-N	1	0	366.465	1.634	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnoc2C)C1	ZINC001131051174	940471036	/nfs/dbraw/zinc/47/10/36/940471036.db2.gz	DVNAUPMXEDUGSX-QZTJIDSGSA-N	1	0	369.469	1.994	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCO1	ZINC000807749306	940471163	/nfs/dbraw/zinc/47/11/63/940471163.db2.gz	SXECOOWQHNDDMW-NQYYFHDYSA-N	1	0	369.465	1.063	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCn2cncn2)C1	ZINC001131057474	940477784	/nfs/dbraw/zinc/47/77/84/940477784.db2.gz	JNRFEMOBTHEZSB-GVDBMIGSSA-N	1	0	371.489	1.198	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)C1CCCC1	ZINC000807808534	940478620	/nfs/dbraw/zinc/47/86/20/940478620.db2.gz	VWKHSMGFBUYRJW-UHFFFAOYSA-N	1	0	359.445	1.778	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCn2cccn2)C1	ZINC001131051830	940480350	/nfs/dbraw/zinc/48/03/50/940480350.db2.gz	VVMWSEDAKXPMDW-QZTJIDSGSA-N	1	0	368.485	1.394	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCn2cncn2)C1	ZINC001131082697	940488121	/nfs/dbraw/zinc/48/81/21/940488121.db2.gz	XLSNYMKMNWHLLY-HZPDHXFCSA-N	1	0	371.489	1.198	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccnc(C3CC3)n2)C[C@H]1c1cncn1C	ZINC001131083808	940488889	/nfs/dbraw/zinc/48/88/89/940488889.db2.gz	BUOUYYLDFLEFNI-NVXWUHKLSA-N	1	0	364.453	1.309	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2cccnc2)C[C@H]1c1cncn1C	ZINC001131083794	940488897	/nfs/dbraw/zinc/48/88/97/940488897.db2.gz	BJCQCTORXSHGDZ-QXAKKESOSA-N	1	0	365.481	1.916	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2csc3cncn32)C[C@H]1c1cncn1C	ZINC001131084189	940489235	/nfs/dbraw/zinc/48/92/35/940489235.db2.gz	LQMKGYQRGBJMMM-ZIAGYGMSSA-N	1	0	370.482	1.903	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCn2nc(C)cc2C)C[C@H]1c1cncn1C	ZINC001131084326	940489240	/nfs/dbraw/zinc/48/92/40/940489240.db2.gz	RCQCCVLSUIHCME-QZTJIDSGSA-N	1	0	370.501	1.784	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cncc(OC)n2)C[C@H]1c1cncn1C	ZINC001131084471	940489400	/nfs/dbraw/zinc/48/94/00/940489400.db2.gz	UOONEDHGZFUFQZ-GDBMZVCRSA-N	1	0	370.457	1.383	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2nc(C3CC3)oc2C)C[C@H]1c1cncn1C	ZINC001131098790	940492905	/nfs/dbraw/zinc/49/29/05/940492905.db2.gz	LCZZRTUWDPTXGP-HZPDHXFCSA-N	1	0	367.453	1.815	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2c(C)noc2C)C[C@H]1c1cncn1C	ZINC001131089660	940495058	/nfs/dbraw/zinc/49/50/58/940495058.db2.gz	SNPLBXOCPDDYEE-IAOVAPTHSA-N	1	0	369.469	1.736	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2c(C)n[nH]c2C)C[C@H]1c1cncn1C	ZINC001131091851	940495892	/nfs/dbraw/zinc/49/58/92/940495892.db2.gz	SLFRDZXOFUFVNP-IAOVAPTHSA-N	1	0	368.485	1.471	20	30		FDEDRO
CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](c2cncn2C)[C@H](NCC#N)C1)C(C)C	ZINC001131091834	940495969	/nfs/dbraw/zinc/49/59/69/940495969.db2.gz	RWLSHUYPTXSDFD-JFIYKMOQSA-N	1	0	360.506	1.194	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cn(CCC)nc2C)C[C@H]1c1cncn1C	ZINC001131099874	940499485	/nfs/dbraw/zinc/49/94/85/940499485.db2.gz	YGYPZHZQXPFFDF-QZTJIDSGSA-N	1	0	368.485	1.556	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCOCCOCC)C[C@H]1c1cncn1C	ZINC001131106332	940501939	/nfs/dbraw/zinc/50/19/39/940501939.db2.gz	URUMOZKQGNPXQG-IAGOWNOFSA-N	1	0	364.490	1.323	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2c(C)noc2C)C[C@H]1c1cncn1C	ZINC001131119459	940505119	/nfs/dbraw/zinc/50/51/19/940505119.db2.gz	CZJPDGPEQXGNJN-QZTJIDSGSA-N	1	0	369.469	1.565	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1c1cncn1C	ZINC001131119639	940505460	/nfs/dbraw/zinc/50/54/60/940505460.db2.gz	NZNSTSVSPRJDAX-IAGOWNOFSA-N	1	0	371.489	1.342	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(=O)[nH]c2C)C[C@H]1c1cncn1C	ZINC001131125417	940507774	/nfs/dbraw/zinc/50/77/74/940507774.db2.gz	DEUPCODNJAFOAA-HZPDHXFCSA-N	1	0	369.469	1.911	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3cccnc3C2)C[C@H]1c1cncn1C	ZINC001131115198	940508754	/nfs/dbraw/zinc/50/87/54/940508754.db2.gz	CRVBOLQEECYEAV-ZHALLVOQSA-N	1	0	365.481	1.690	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCCn2ccnc2)C[C@H]1c1cncn1C	ZINC001131132590	940512628	/nfs/dbraw/zinc/51/26/28/940512628.db2.gz	MUTSLZMFGWWCFS-QZTJIDSGSA-N	1	0	370.501	1.947	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCC=C)C[C@H]1c1cncn1C	ZINC001131132981	940512744	/nfs/dbraw/zinc/51/27/44/940512744.db2.gz	WIMPCLMZWNJQKP-BRWVUGGUSA-N	1	0	362.474	1.098	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCCn2ccnc2)C[C@H]1c1cncn1C	ZINC001131136630	940513669	/nfs/dbraw/zinc/51/36/69/940513669.db2.gz	XBLQFSYKDPLRAS-QZTJIDSGSA-N	1	0	370.501	1.947	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(CC)n(C)n2)C[C@H]1c1cncn1C	ZINC001131136617	940513725	/nfs/dbraw/zinc/51/37/25/940513725.db2.gz	WBGDPJXMTUCOHC-NVXWUHKLSA-N	1	0	356.474	1.490	20	30		FDEDRO
Cc1nnc(-c2cccc(C#N)c2)n1CN1CC[NH+](C2CCOCC2)CC1	ZINC000747471522	940534573	/nfs/dbraw/zinc/53/45/73/940534573.db2.gz	OPTCAUNNTBQCFD-UHFFFAOYSA-N	1	0	366.469	1.879	20	30		FDEDRO
C#C[C@H](NC(=O)NCc1ccncc1OCCC[NH+](C)C)[C@H]1CCCO1	ZINC000808291296	940538318	/nfs/dbraw/zinc/53/83/18/940538318.db2.gz	HQTVQXHEWYEEEY-DLBZAZTESA-N	1	0	360.458	1.392	20	30		FDEDRO
Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1ccc(F)nc1C#N	ZINC000808345805	940540800	/nfs/dbraw/zinc/54/08/00/940540800.db2.gz	LBXALLZSNIMTLY-UHFFFAOYSA-N	1	0	367.406	1.235	20	30		FDEDRO
CCCCCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)COC)C1	ZINC001131294953	940546545	/nfs/dbraw/zinc/54/65/45/940546545.db2.gz	WJCNALWXVIYVCR-ZACQAIPSSA-N	1	0	367.490	1.709	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)COCC2CC2)C1	ZINC001131300657	940546653	/nfs/dbraw/zinc/54/66/53/940546653.db2.gz	CYXUMIGWEALYSU-ZACQAIPSSA-N	1	0	363.458	1.095	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)COC(C)C)C1	ZINC001131306947	940548703	/nfs/dbraw/zinc/54/87/03/940548703.db2.gz	CWFJDHWSHLJCPS-OAGGEKHMSA-N	1	0	351.447	1.093	20	30		FDEDRO
C=CCN1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1	ZINC001131313048	940552600	/nfs/dbraw/zinc/55/26/00/940552600.db2.gz	GFETVBMDHATYJV-BBWFWOEESA-N	1	0	364.490	1.010	20	30		FDEDRO
C[C@H](F)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CSCC#N)CC1	ZINC001131429670	940567428	/nfs/dbraw/zinc/56/74/28/940567428.db2.gz	QOJYPEMMGAAMAD-LXZKKBNFSA-N	1	0	357.495	1.977	20	30		FDEDRO
CC[C@@H](OC)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC#CCOC)CC1	ZINC001131442246	940591479	/nfs/dbraw/zinc/59/14/79/940591479.db2.gz	MQQBFPRBSYIIHQ-KURKYZTESA-N	1	0	352.475	1.047	20	30		FDEDRO
CCc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)s1	ZINC001086668995	940595926	/nfs/dbraw/zinc/59/59/26/940595926.db2.gz	JBDQBUCGSBPCLB-WCQYABFASA-N	1	0	358.471	1.989	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ncccc3C)C2)C1=O	ZINC001086669346	940598714	/nfs/dbraw/zinc/59/87/14/940598714.db2.gz	ZVYKLEJKVLDFLC-BBWFWOEESA-N	1	0	356.470	1.665	20	30		FDEDRO
C=CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(=O)NCCC)CC1	ZINC001131448617	940602315	/nfs/dbraw/zinc/60/23/15/940602315.db2.gz	IUVIEPWNOYQAAQ-SUMDDJOVSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H](C)OC)CC1	ZINC001131452013	940605798	/nfs/dbraw/zinc/60/57/98/940605798.db2.gz	ZRBIPBNRVIZGPO-SUMDDJOVSA-N	1	0	354.491	1.600	20	30		FDEDRO
C#CCCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC#CCOC)CC1	ZINC001131475927	940619067	/nfs/dbraw/zinc/61/90/67/940619067.db2.gz	JIEFEURWYJENJJ-CTNGQTDRSA-N	1	0	360.498	1.816	20	30		FDEDRO
C=CCOCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H](C)O)CC1	ZINC001131467790	940624329	/nfs/dbraw/zinc/62/43/29/940624329.db2.gz	QEZVXLTYGIAPDH-WDYCEAGBSA-N	1	0	354.491	1.336	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](OC)C2CC2)CC1	ZINC001131482974	940638370	/nfs/dbraw/zinc/63/83/70/940638370.db2.gz	IBXMWBCAWCFLGD-CEXWTWQISA-N	1	0	364.486	1.047	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn(CC)n2)CC1	ZINC001131491049	940641215	/nfs/dbraw/zinc/64/12/15/940641215.db2.gz	OJHBSPQYJZFLDE-AEFFLSMTSA-N	1	0	361.490	1.864	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ncn(C)n2)CC1	ZINC001131491388	940642177	/nfs/dbraw/zinc/64/21/77/940642177.db2.gz	ZMDDUDLEBGDYDW-OIISXLGYSA-N	1	0	361.490	1.769	20	30		FDEDRO
CC(C)C#CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2ccn(C)n2)CC1	ZINC001131493829	940644608	/nfs/dbraw/zinc/64/46/08/940644608.db2.gz	SNRWLXLDXNXXOS-QUCCMNQESA-N	1	0	358.486	1.565	20	30		FDEDRO
CNC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C#CC(C)(C)C)CC1	ZINC001131495707	940646760	/nfs/dbraw/zinc/64/67/60/940646760.db2.gz	BGNLLSBHPWOXCZ-KYJSFNMBSA-N	1	0	363.502	1.156	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCO)CC1	ZINC001131496023	940647149	/nfs/dbraw/zinc/64/71/49/940647149.db2.gz	LBMJZAZGWXGYDS-MJGOQNOKSA-N	1	0	366.502	1.031	20	30		FDEDRO
Cc1nnc(C[NH2+][C@@H]2CCO[C@H]2C2CCN(C(=O)C#CC(C)C)CC2)[nH]1	ZINC001131495859	940647260	/nfs/dbraw/zinc/64/72/60/940647260.db2.gz	HZVJCRWIMWUKIX-APWZRJJASA-N	1	0	359.474	1.258	20	30		FDEDRO
C#CCOCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H](C)OC)CC1	ZINC001131498954	940649401	/nfs/dbraw/zinc/64/94/01/940649401.db2.gz	VOYWRVVXSBKZNP-WDYCEAGBSA-N	1	0	352.475	1.047	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1)OCC	ZINC001131510357	940659082	/nfs/dbraw/zinc/65/90/82/940659082.db2.gz	CVTLIXQLWGWDLF-GGPKGHCWSA-N	1	0	368.518	1.726	20	30		FDEDRO
C=C(C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCn2cncn2)CC1	ZINC001131506554	940668474	/nfs/dbraw/zinc/66/84/74/940668474.db2.gz	DQDHDOLUTMJWHP-MJGOQNOKSA-N	1	0	361.490	1.620	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2cnccc2C)CC1	ZINC001131515367	940679681	/nfs/dbraw/zinc/67/96/81/940679681.db2.gz	GRZLVKPVHCSMJN-CTNGQTDRSA-N	1	0	355.482	1.942	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn3ncccc23)CC1	ZINC001131515319	940679722	/nfs/dbraw/zinc/67/97/22/940679722.db2.gz	CXLAUEVKSPWYBZ-MJGOQNOKSA-N	1	0	367.453	1.352	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn(C)c(C)cc2=O)CC1	ZINC001131516960	940683709	/nfs/dbraw/zinc/68/37/09/940683709.db2.gz	CRJOKGTUSYSONJ-QUCCMNQESA-N	1	0	371.481	1.316	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2CC(OC)C2)CC1	ZINC001131517049	940684012	/nfs/dbraw/zinc/68/40/12/940684012.db2.gz	HSKSKUHHUDLMRZ-GMNCBBECSA-N	1	0	366.502	1.600	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccnn2C)CC1	ZINC001131533419	940703933	/nfs/dbraw/zinc/70/39/33/940703933.db2.gz	CSJRVSQRPXHTLZ-MLYOOKFZSA-N	1	0	370.497	1.533	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCc3nccn3C2)CC1	ZINC001131522445	940705533	/nfs/dbraw/zinc/70/55/33/940705533.db2.gz	HYBNRHRUMQLXQN-GGPKGHCWSA-N	1	0	370.497	1.455	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2n[nH]c3c2CCC3)CC1	ZINC001131526460	940711541	/nfs/dbraw/zinc/71/15/41/940711541.db2.gz	UCBODGGSLLMZCZ-MJGOQNOKSA-N	1	0	356.470	1.521	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCOC)CC1	ZINC001131546251	940722205	/nfs/dbraw/zinc/72/22/05/940722205.db2.gz	SQHZQWDGAYDXSJ-MSOLQXFVSA-N	1	0	368.518	1.847	20	30		FDEDRO
C=CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCOC)CC1	ZINC001131558051	940732429	/nfs/dbraw/zinc/73/24/29/940732429.db2.gz	FDWDDARDZCCBDQ-QUCCMNQESA-N	1	0	368.518	1.991	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NC)CC1	ZINC001131547918	940737111	/nfs/dbraw/zinc/73/71/11/940737111.db2.gz	JFUSPGTXFYDUSA-LESCRADOSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCC(=O)N2C)CC1	ZINC001131548068	940737285	/nfs/dbraw/zinc/73/72/85/940737285.db2.gz	LDMDXHTUDICRDD-LMMKCTJWSA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2nccn3ccnc23)CC1	ZINC001131568111	940743787	/nfs/dbraw/zinc/74/37/87/940743787.db2.gz	XAUQJEZPQHJNMH-AEFFLSMTSA-N	1	0	367.453	1.352	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cncc(OC)n2)CC1	ZINC001131574775	940751653	/nfs/dbraw/zinc/75/16/53/940751653.db2.gz	JAXUVVOFNKIQPY-QAPCUYQASA-N	1	0	360.458	1.661	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)CNC(C)=O)CC1	ZINC001131578329	940755681	/nfs/dbraw/zinc/75/56/81/940755681.db2.gz	QZELPBRRRAAPRK-MSOLQXFVSA-N	1	0	363.502	1.158	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c[nH]nc2C2CC2)CC1	ZINC001131587902	940756591	/nfs/dbraw/zinc/75/65/91/940756591.db2.gz	FXBSLQHXKQATKL-MJGOQNOKSA-N	1	0	356.470	1.910	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCOC2CCOCC2)CC1	ZINC001131592904	940763847	/nfs/dbraw/zinc/76/38/47/940763847.db2.gz	BOLCLCYCYLDSPO-QUCCMNQESA-N	1	0	366.502	1.744	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)NC(C)=O)CC1	ZINC001131580328	940766768	/nfs/dbraw/zinc/76/67/68/940766768.db2.gz	QJOOEJYTZIETIZ-SJORKVTESA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCn2cnnn2)CC1	ZINC001131582922	940769044	/nfs/dbraw/zinc/76/90/44/940769044.db2.gz	GGKXPCLLCOMZKD-AEFFLSMTSA-N	1	0	362.478	1.015	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)c2ccco2)CC1	ZINC001131604844	940774185	/nfs/dbraw/zinc/77/41/85/940774185.db2.gz	JKXBBPLEAUCYMT-QAPCUYQASA-N	1	0	361.442	1.181	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCC(=O)NC(C)C)CC1	ZINC001131594832	940777058	/nfs/dbraw/zinc/77/70/58/940777058.db2.gz	FZBNXWBCJUBORO-XLIONFOSSA-N	1	0	363.502	1.300	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCC(=O)NCCC)CC1	ZINC001131595334	940777934	/nfs/dbraw/zinc/77/79/34/940777934.db2.gz	SUDMZZPYUBKWQU-APWZRJJASA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(C(=O)NC)CCC2)CC1	ZINC001131597355	940781301	/nfs/dbraw/zinc/78/13/01/940781301.db2.gz	YXYNRAPHJVCSKW-SJORKVTESA-N	1	0	363.502	1.465	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(N(C)C)nn2)CC1	ZINC001131599890	940783655	/nfs/dbraw/zinc/78/36/55/940783655.db2.gz	PLAQMXVLLMIEOM-APWZRJJASA-N	1	0	371.485	1.165	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C)C(=O)N(C)CCC#N	ZINC000809562003	940857050	/nfs/dbraw/zinc/85/70/50/940857050.db2.gz	IBHCCFOZTGCBHK-QLFBSQMISA-N	1	0	352.479	1.982	20	30		FDEDRO
CC(C)(C)n1ncnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1	ZINC001086675979	940923738	/nfs/dbraw/zinc/92/37/38/940923738.db2.gz	JAGFHAVYYJPJHI-UONOGXRCSA-N	1	0	369.473	1.921	20	30		FDEDRO
COc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1	ZINC001086676063	940924035	/nfs/dbraw/zinc/92/40/35/940924035.db2.gz	RKAUKICVJPHPBT-UONOGXRCSA-N	1	0	353.426	1.978	20	30		FDEDRO
C[C@H]1CCCN(C(=O)C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1	ZINC001086675987	940924086	/nfs/dbraw/zinc/92/40/86/940924086.db2.gz	KCHUWNWLAALJHF-HRCADAONSA-N	1	0	371.485	1.633	20	30		FDEDRO
N#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc(C4CC4)[nH]3)C2)[nH]1	ZINC001086676194	940932510	/nfs/dbraw/zinc/93/25/10/940932510.db2.gz	FBKWESIGIICOGF-WCQYABFASA-N	1	0	353.430	1.570	20	30		FDEDRO
CN1CCOC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001086677033	940953524	/nfs/dbraw/zinc/95/35/24/940953524.db2.gz	FOQLBAYXHINKKE-IPELMVKDSA-N	1	0	356.470	1.263	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3csnc3C)C2)C1=O	ZINC001086677334	940954452	/nfs/dbraw/zinc/95/44/52/940954452.db2.gz	RCFFEUVYVVQNEF-LZWOXQAQSA-N	1	0	362.499	1.727	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)O[C@H]1CCCN(c2cc[nH+]c(N)n2)C1	ZINC000810762165	941053103	/nfs/dbraw/zinc/05/31/03/941053103.db2.gz	ZVEUATFSQMOIJV-ZFWWWQNUSA-N	1	0	367.409	1.910	20	30		FDEDRO
CCn1ncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(C#N)ccc3F)C2)n1	ZINC001086690579	941099816	/nfs/dbraw/zinc/09/98/16/941099816.db2.gz	SELFQHSHUAYGJO-GOEBONIOSA-N	1	0	370.432	1.997	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccncc3C)C2)C1=O	ZINC001086691867	941111920	/nfs/dbraw/zinc/11/19/20/941111920.db2.gz	FGCGFKGFQZTSEB-JZXOWHBKSA-N	1	0	356.470	1.665	20	30		FDEDRO
C[C@H](COc1ccccc1)NN=C1CC[NH+](CCN2CCOCC2)CC1	ZINC000811664825	941149432	/nfs/dbraw/zinc/14/94/32/941149432.db2.gz	IIDBANLKQSEKTL-GOSISDBHSA-N	1	0	360.502	1.828	20	30		FDEDRO
CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N	ZINC000812196429	941186761	/nfs/dbraw/zinc/18/67/61/941186761.db2.gz	QARYPMRUJDBCPH-QLFBSQMISA-N	1	0	367.494	1.773	20	30		FDEDRO
C#C[C@H](NC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1)c1ccc(F)cc1	ZINC000812755079	941268907	/nfs/dbraw/zinc/26/89/07/941268907.db2.gz	LGSYKYSWPZXSIY-QRQLOZEOSA-N	1	0	371.456	1.949	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)NCc2ccccc2Cl)CC1	ZINC000747820476	941274941	/nfs/dbraw/zinc/27/49/41/941274941.db2.gz	YLSKRTOETCYXOY-CQSZACIVSA-N	1	0	361.873	1.806	20	30		FDEDRO
CON(C)C(=O)C1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000812869784	941290020	/nfs/dbraw/zinc/29/00/20/941290020.db2.gz	MDKQCIIXXXOTFY-KRWDZBQOSA-N	1	0	361.442	1.224	20	30		FDEDRO
CN1C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)CC1=O	ZINC001086711521	941369856	/nfs/dbraw/zinc/36/98/56/941369856.db2.gz	QLLJLEQNZMBZEA-RCCFBDPRSA-N	1	0	354.454	1.411	20	30		FDEDRO
C#C[C@H](C)N(C)C(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C	ZINC000813543386	941405828	/nfs/dbraw/zinc/40/58/28/941405828.db2.gz	WVTKPVBNXKOOTI-HNNXBMFYSA-N	1	0	365.499	1.319	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)Nc1nc(C)c(C)s1	ZINC001134053475	941530034	/nfs/dbraw/zinc/53/00/34/941530034.db2.gz	WPODSNYUJRISPX-BNOWGMLFSA-N	1	0	366.487	1.384	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cncn1C	ZINC001134045478	941534975	/nfs/dbraw/zinc/53/49/75/941534975.db2.gz	HYJIAPGBBUOMSY-BZUAXINKSA-N	1	0	361.490	1.043	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1	ZINC001134052743	941539624	/nfs/dbraw/zinc/53/96/24/941539624.db2.gz	ARBBVIBXCDWZKC-XYPHTWIQSA-N	1	0	361.442	1.319	20	30		FDEDRO
Cn1cc([C@@H]2C[C@H]2C(=O)NCC[NH2+]CC#Cc2ccc(Cl)cc2)cn1	ZINC001134126596	941575900	/nfs/dbraw/zinc/57/59/00/941575900.db2.gz	ZCCQREHQVBGLEQ-ZWKOTPCHSA-N	1	0	356.857	1.935	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cnc4n3CCC4)C2)C1=O	ZINC001086720794	941620121	/nfs/dbraw/zinc/62/01/21/941620121.db2.gz	OLXYWXILXUVQLJ-ARFHVFGLSA-N	1	0	371.485	1.104	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001086722085	941655543	/nfs/dbraw/zinc/65/55/43/941655543.db2.gz	JTTITLVFJFDLGD-FZDIXFNVSA-N	1	0	357.454	1.737	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)c1	ZINC000814572933	941679711	/nfs/dbraw/zinc/67/97/11/941679711.db2.gz	UNBDQKIJDKIOLY-UHFFFAOYSA-N	1	0	370.453	1.524	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl	ZINC000815082264	941777876	/nfs/dbraw/zinc/77/78/76/941777876.db2.gz	IBQRFZUJHFSHDT-UHFFFAOYSA-N	1	0	371.890	1.275	20	30		FDEDRO
COC(OC)c1c(C#C[Si](C)(C)C)ccnc1N[C@@H]1C[NH2+]C[C@H]1CO	ZINC001170779200	941803070	/nfs/dbraw/zinc/80/30/70/941803070.db2.gz	WOBLVOCUJTYJGH-LSDHHAIUSA-N	1	0	363.534	1.594	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2C[C@H]2c2ccccc2OC)C1=O	ZINC001135030637	941863619	/nfs/dbraw/zinc/86/36/19/941863619.db2.gz	RJPVRKHYGVENPF-BBWFWOEESA-N	1	0	357.454	1.291	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)Cc1ccc(F)cc1	ZINC001135064757	941881389	/nfs/dbraw/zinc/88/13/89/941881389.db2.gz	LHLQVIZKMQOAKO-FHWLQOOXSA-N	1	0	364.461	1.806	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NCCC(C)C	ZINC001135067777	941883277	/nfs/dbraw/zinc/88/32/77/941883277.db2.gz	LXEZRKKYOUQQIM-ULQDDVLXSA-N	1	0	353.507	1.614	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CCCS(=O)(=O)C(C)C	ZINC001135067823	941884043	/nfs/dbraw/zinc/88/40/43/941884043.db2.gz	NTMMZUOWFIGNJY-HOTGVXAUSA-N	1	0	360.520	1.277	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N[C@@H](C)CCCCC	ZINC001135145880	941929489	/nfs/dbraw/zinc/92/94/89/941929489.db2.gz	WYDYVUTWPBSFIR-BQFCYCMXSA-N	1	0	353.507	1.758	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)N(C(C)C)C(C)C	ZINC001135145817	941929563	/nfs/dbraw/zinc/92/95/63/941929563.db2.gz	VBCOCOXRRPIZOJ-ULQDDVLXSA-N	1	0	353.507	1.707	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)COc1ccccc1F	ZINC001135145762	941929600	/nfs/dbraw/zinc/92/96/00/941929600.db2.gz	SMZBDGPNPNCKOL-MPGHIAIKSA-N	1	0	366.433	1.252	20	30		FDEDRO
C#CCN(C)CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1	ZINC000815652801	941933520	/nfs/dbraw/zinc/93/35/20/941933520.db2.gz	UDEMMJRAWZNPPN-QUCCMNQESA-N	1	0	373.497	1.957	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1	ZINC000815733452	941956512	/nfs/dbraw/zinc/95/65/12/941956512.db2.gz	SZYSNQDRKVKLMD-MRXNPFEDSA-N	1	0	369.465	1.970	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccccc1-n1ccc(C)n1	ZINC000815860532	941996195	/nfs/dbraw/zinc/99/61/95/941996195.db2.gz	PGKZWZAUNVCRHT-UHFFFAOYSA-N	1	0	353.426	1.191	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC001086732346	942043302	/nfs/dbraw/zinc/04/33/02/942043302.db2.gz	HHRJHLRILDAOSR-LOWDOPEQSA-N	1	0	370.799	1.960	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3n[nH]c4c3CCC4)C2)C1=O	ZINC001086742305	942188949	/nfs/dbraw/zinc/18/89/49/942188949.db2.gz	IRXIUNFVEPVFIR-VBQJREDUSA-N	1	0	371.485	1.173	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]nc3CC)C2)C1=O	ZINC001086742095	942194406	/nfs/dbraw/zinc/19/44/06/942194406.db2.gz	XSGQTSZFYFOPJC-VBQJREDUSA-N	1	0	359.474	1.247	20	30		FDEDRO
C#C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)C(C)C	ZINC000816607065	942274221	/nfs/dbraw/zinc/27/42/21/942274221.db2.gz	DNGKJQFXPZBBNI-JKSUJKDBSA-N	1	0	351.491	1.997	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C(N)=O)o3)C2)c1	ZINC001086752603	942284075	/nfs/dbraw/zinc/28/40/75/942284075.db2.gz	VQEGNGPIWQWFCT-JKSUJKDBSA-N	1	0	366.421	1.938	20	30		FDEDRO
Cn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)ncc1=O	ZINC001086762991	942407803	/nfs/dbraw/zinc/40/78/03/942407803.db2.gz	LTFCLKXLIBZJFM-WMLDXEAASA-N	1	0	365.437	1.340	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H]3CCN(CC)C3=O)C2)cc1	ZINC001086773738	942461451	/nfs/dbraw/zinc/46/14/51/942461451.db2.gz	CRRMVAOLGDCPRF-UHOSZYNNSA-N	1	0	353.466	1.777	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3CCC)C2)cc1	ZINC001086774063	942462981	/nfs/dbraw/zinc/46/29/81/942462981.db2.gz	SJFZSBGYKPRHCH-FUHWJXTLSA-N	1	0	366.469	1.753	20	30		FDEDRO
C#C[C@H](NC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1)C1CCOCC1	ZINC000856109531	970915643	/nfs/dbraw/zinc/91/56/43/970915643.db2.gz	RGOUNQVLMWIQSY-FQEVSTJZSA-N	1	0	355.482	1.987	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nn(CC)nc3C)C2)c1	ZINC001086798359	942634574	/nfs/dbraw/zinc/63/45/74/942634574.db2.gz	JENUVKRHLLNXIJ-FUHWJXTLSA-N	1	0	366.469	1.671	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@H+]2C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C2)CC1	ZINC000817289367	942660618	/nfs/dbraw/zinc/66/06/18/942660618.db2.gz	XXJUMQADTZJWFZ-DLBZAZTESA-N	1	0	363.502	1.064	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)C1	ZINC001086808134	942832358	/nfs/dbraw/zinc/83/23/58/942832358.db2.gz	QFOVBJCNKBMCNI-BFHYXJOUSA-N	1	0	352.870	1.253	20	30		FDEDRO
CC[NH+]1CCC(N2CCCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)CC1	ZINC000817656117	942864973	/nfs/dbraw/zinc/86/49/73/942864973.db2.gz	AODMPDGQWFEZAF-HXUWFJFHSA-N	1	0	370.497	1.610	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1	ZINC000817834548	942996228	/nfs/dbraw/zinc/99/62/28/942996228.db2.gz	CCNYNQOBAPPVAV-WOJBJXKFSA-N	1	0	361.445	1.846	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1C#N	ZINC000817839717	943000940	/nfs/dbraw/zinc/00/09/40/943000940.db2.gz	PPKBEZKTZDOLEL-CQSZACIVSA-N	1	0	358.442	1.031	20	30		FDEDRO
CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]Cc1ccc(OC)c(O[C@@H](C#N)CC)c1	ZINC000817919688	943077346	/nfs/dbraw/zinc/07/73/46/943077346.db2.gz	UDIVLNONVNIQAI-RVKKMQEKSA-N	1	0	361.442	1.759	20	30		FDEDRO
C=CCCN(OCc1ccccc1)C(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1	ZINC000817985664	943118743	/nfs/dbraw/zinc/11/87/43/943118743.db2.gz	MSRYNBKJLLFDKY-FUHWJXTLSA-N	1	0	359.470	1.966	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2[NH2+]CC2(C)C)cc1	ZINC000818490459	943255111	/nfs/dbraw/zinc/25/51/11/943255111.db2.gz	ASDRMQNZAFVGIC-NPQOUYBPSA-N	1	0	364.471	1.436	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@H]1CCc2nc(C)nc(C(F)(F)F)c2C1	ZINC000818615153	943304037	/nfs/dbraw/zinc/30/40/37/943304037.db2.gz	BVNWDEXGWGTRAR-ZDUSSCGKSA-N	1	0	368.403	1.980	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1	ZINC000818649025	943317135	/nfs/dbraw/zinc/31/71/35/943317135.db2.gz	LFNLGARJRPTCDR-DLBZAZTESA-N	1	0	353.426	1.068	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1SCCO	ZINC000818593292	943323374	/nfs/dbraw/zinc/32/33/74/943323374.db2.gz	SYJLRRVYMPAFJS-UHFFFAOYSA-N	1	0	351.428	1.364	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@](C)(C[NH3+])C2)ccc1F	ZINC000818594087	943325397	/nfs/dbraw/zinc/32/53/97/943325397.db2.gz	CCFLKSCUQWYIHQ-MRXNPFEDSA-N	1	0	355.435	1.101	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCCN(c2ncnc3sccc32)C1	ZINC000818606608	943331160	/nfs/dbraw/zinc/33/11/60/943331160.db2.gz	ZDBXNRZOBOCELH-OAHLLOKOSA-N	1	0	371.510	1.979	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H](CC)C(N)=O)C2)cc1	ZINC001086822260	943334289	/nfs/dbraw/zinc/33/42/89/943334289.db2.gz	YBEFPJQFJMEVJB-YXJHDRRASA-N	1	0	357.454	1.451	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000818995759	943376533	/nfs/dbraw/zinc/37/65/33/943376533.db2.gz	YDMMVEWZKQYNAF-CVEARBPZSA-N	1	0	354.495	1.429	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1	ZINC001086823183	943384275	/nfs/dbraw/zinc/38/42/75/943384275.db2.gz	QMNYVPYAOZXZIE-ZMMAXQRCSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(OC)ccn3)C2)nn1	ZINC001086823302	943385678	/nfs/dbraw/zinc/38/56/78/943385678.db2.gz	WTEIQOZGPSNKIA-LSDHHAIUSA-N	1	0	370.457	1.556	20	30		FDEDRO
CCNC(=O)COc1cccc(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)c1	ZINC000818969419	943386987	/nfs/dbraw/zinc/38/69/87/943386987.db2.gz	PHMNBDLJJMACEG-IBGZPJMESA-N	1	0	353.422	1.896	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H](C)c3nnc(C)[nH]3)C2)nn1	ZINC001086823477	943388802	/nfs/dbraw/zinc/38/88/02/943388802.db2.gz	GQAZDHWHSAWURU-FPMFFAJLSA-N	1	0	358.450	1.140	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3snnc3C)C2)nn1	ZINC001086823527	943389690	/nfs/dbraw/zinc/38/96/90/943389690.db2.gz	JDMXJJPIRFZTCJ-QWHCGFSZSA-N	1	0	361.475	1.312	20	30		FDEDRO
CC(=O)c1cccc(OC[C@@H](O)C[NH2+]CCNc2ncccc2C#N)c1	ZINC000818976171	943390196	/nfs/dbraw/zinc/39/01/96/943390196.db2.gz	WDTYGFBICJXBGA-KRWDZBQOSA-N	1	0	354.410	1.597	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)cc1	ZINC000819055449	943397817	/nfs/dbraw/zinc/39/78/17/943397817.db2.gz	QRTXKWRGPHJDJZ-APWZRJJASA-N	1	0	350.422	1.559	20	30		FDEDRO
CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]CCOc2ccc(C#N)cc2)cc1	ZINC000819107664	943424443	/nfs/dbraw/zinc/42/44/43/943424443.db2.gz	NHWFWNXVRXMLEN-SFHVURJKSA-N	1	0	360.435	1.664	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@H]3CCCCO3)C2)nn1	ZINC001086825233	943444459	/nfs/dbraw/zinc/44/44/59/943444459.db2.gz	YTOMIBXRRUFPMD-GVDBMIGSSA-N	1	0	361.490	1.911	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1	ZINC000819122706	943450143	/nfs/dbraw/zinc/45/01/43/943450143.db2.gz	YLOPQYISNLPFRI-KRWDZBQOSA-N	1	0	364.465	1.083	20	30		FDEDRO
CCNS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)cc1	ZINC000819167917	943457856	/nfs/dbraw/zinc/45/78/56/943457856.db2.gz	KBWFGIKZAZBOEM-SFHVURJKSA-N	1	0	359.451	1.680	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@H](O)c2ccc(C#N)cc2)s1	ZINC000819179560	943464061	/nfs/dbraw/zinc/46/40/61/943464061.db2.gz	DNRNLVYQKPKFJV-HNNXBMFYSA-N	1	0	365.480	1.530	20	30		FDEDRO
CN(CC[NH2+]C[C@@H](O)c1ccc(C#N)cc1)S(=O)(=O)c1cccs1	ZINC000819180240	943465256	/nfs/dbraw/zinc/46/52/56/943465256.db2.gz	PINKEMUQBSPTRU-OAHLLOKOSA-N	1	0	365.480	1.563	20	30		FDEDRO
C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001086825285	943471210	/nfs/dbraw/zinc/47/12/10/943471210.db2.gz	CIUQZNULYHRSHP-LKCYJCQHSA-N	1	0	354.454	1.109	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)nc1	ZINC000819199436	943472579	/nfs/dbraw/zinc/47/25/79/943472579.db2.gz	WOTLJPJFQAVUHY-VNHYZAJKSA-N	1	0	369.537	1.696	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H]([NH2+]C[C@@H](O)c3ccc(C#N)cc3)C2=O)cc1	ZINC000819260289	943514614	/nfs/dbraw/zinc/51/46/14/943514614.db2.gz	RBKCFGMXKZTTAO-WOJBJXKFSA-N	1	0	360.417	1.854	20	30		FDEDRO
C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1	ZINC000819261846	943515649	/nfs/dbraw/zinc/51/56/49/943515649.db2.gz	GQJUEOXMTGZOQK-ZDUSSCGKSA-N	1	0	367.471	1.835	20	30		FDEDRO
C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C[C@H](O)CN(C)CCC#N	ZINC000819266134	943518281	/nfs/dbraw/zinc/51/82/81/943518281.db2.gz	WCORLXCRVHKIDG-PMPSAXMXSA-N	1	0	354.495	1.428	20	30		FDEDRO
C[C@H](NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H]1CN(C)CCO1	ZINC000819405600	943554195	/nfs/dbraw/zinc/55/41/95/943554195.db2.gz	VQJVDSFIIMQQFX-RRFJBIMHSA-N	1	0	368.478	1.409	20	30		FDEDRO
C[N@H+]1C[C@H]2CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C[C@H]2C1	ZINC000819515791	943624196	/nfs/dbraw/zinc/62/41/96/943624196.db2.gz	FXDMWDJXCAOUTB-ZNMIVQPWSA-N	1	0	350.463	1.594	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(CC(=O)OCC)Cc2ccccc2O)CC1	ZINC000819695893	943695597	/nfs/dbraw/zinc/69/55/97/943695597.db2.gz	DBRGUOCBDWEAMO-UHFFFAOYSA-N	1	0	358.438	1.629	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@H+](CCC(=O)OC(C)(C)C)C1CCOCC1	ZINC001195535436	971030300	/nfs/dbraw/zinc/03/03/00/971030300.db2.gz	JOSWWXPUGDFXCT-UHFFFAOYSA-N	1	0	367.490	1.961	20	30		FDEDRO
C[C@H]1COCC[N@@H+]1C1CCN(C(=O)Cc2cccc(OCC#N)c2)CC1	ZINC000820135151	943909449	/nfs/dbraw/zinc/90/94/49/943909449.db2.gz	ZHULHSWDKNHFMV-INIZCTEOSA-N	1	0	357.454	1.843	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NCC[N@H+]2CC[C@H](C)C2)s1	ZINC000820484797	944068164	/nfs/dbraw/zinc/06/81/64/944068164.db2.gz	FWIOBTHIHSXZGC-ZDUSSCGKSA-N	1	0	371.528	1.213	20	30		FDEDRO
CON=C(C(=O)NC1CC[NH+](C2CCCCC2)CC1)c1csc(N)n1	ZINC000820535023	944084240	/nfs/dbraw/zinc/08/42/40/944084240.db2.gz	GXISJKBRWRRKBC-UHFFFAOYSA-N	1	0	365.503	1.989	20	30		FDEDRO
C#C[C@@H](NC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1ccccc1	ZINC000820598568	944138468	/nfs/dbraw/zinc/13/84/68/944138468.db2.gz	DGHFJQQAGPYVJK-MSOLQXFVSA-N	1	0	358.486	1.753	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)C[N@H+](C)C(C)C)s1	ZINC000823001769	945374581	/nfs/dbraw/zinc/37/45/81/945374581.db2.gz	OENJIAXWPMVTIU-ZDUSSCGKSA-N	1	0	373.544	1.600	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[NH2+][C@H](C(C)C)C2)ccc1F	ZINC000856485799	971184776	/nfs/dbraw/zinc/18/47/76/971184776.db2.gz	QQKVFGZHJRRWRQ-HNNXBMFYSA-N	1	0	369.462	1.360	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C)[NH+]1CCCCC1	ZINC001090721430	945970554	/nfs/dbraw/zinc/97/05/54/945970554.db2.gz	OHXVFEZXSNNRQM-SZVBFZGTSA-N	1	0	370.501	1.800	20	30		FDEDRO
CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C)C(C)C	ZINC001090753595	946286827	/nfs/dbraw/zinc/28/68/27/946286827.db2.gz	ZMUXOSWBSVEMPS-QGPMSJSTSA-N	1	0	358.490	1.656	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1	ZINC001090789735	946666877	/nfs/dbraw/zinc/66/68/77/946666877.db2.gz	KWIQNXOAJGYSEZ-CRAIPNDOSA-N	1	0	370.501	1.944	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1	ZINC001090796463	946785292	/nfs/dbraw/zinc/78/52/92/946785292.db2.gz	QTTUEVGUDGTIDK-GDBMZVCRSA-N	1	0	356.474	1.554	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CCCCNc1cncc([C@@H]2C[NH+]3CCC2CC3)n1	ZINC001171070441	946827995	/nfs/dbraw/zinc/82/79/95/946827995.db2.gz	BKYSQPXSANDNHF-SJORKVTESA-N	1	0	373.501	1.925	20	30		FDEDRO
CC(C)[C@@H](CCN(C)C(=O)[C@H](C)C#N)Nc1cc[nH+]cc1-c1nn[nH]n1	ZINC001573561400	946961590	/nfs/dbraw/zinc/96/15/90/946961590.db2.gz	KCSMRPLCCQRSFS-TZMCWYRMSA-N	1	0	356.434	1.128	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C(C)(C)C1	ZINC001573561503	946963628	/nfs/dbraw/zinc/96/36/28/946963628.db2.gz	LJESPKUQLUFNLH-GXFFZTMASA-N	1	0	359.459	1.414	20	30		FDEDRO
CC(C)N(CC[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)C(=O)[C@H](C)C#N	ZINC001573562051	946969746	/nfs/dbraw/zinc/96/97/46/946969746.db2.gz	QCJFFQGREMVUGI-CYBMUJFWSA-N	1	0	373.436	1.834	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)CC(C)(C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F	ZINC001573563056	946983580	/nfs/dbraw/zinc/98/35/80/946983580.db2.gz	ZNCWUQXVSZITRX-LBPRGKRZSA-N	1	0	373.436	1.740	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)CC(C)(C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F	ZINC001573563055	946984367	/nfs/dbraw/zinc/98/43/67/946984367.db2.gz	ZNCWUQXVSZITRX-GFCCVEGCSA-N	1	0	373.436	1.740	20	30		FDEDRO
C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1	ZINC001573294758	946997212	/nfs/dbraw/zinc/99/72/12/946997212.db2.gz	GNDAMEREHPDTKW-UHFFFAOYSA-N	1	0	363.853	1.922	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2CN([C@H](C)C(=O)NC3CCCC3)C[C@H]2O)CCC1	ZINC001195940381	971311237	/nfs/dbraw/zinc/31/12/37/971311237.db2.gz	UFOONSPRGSJZDN-DJIMGWMZSA-N	1	0	363.502	1.341	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC2(C1)CCC[N@H+](Cc1cccc(-c3nn[nH]n3)c1)C2	ZINC001573565732	947013602	/nfs/dbraw/zinc/01/36/02/947013602.db2.gz	VAXKJJINIOEJEZ-AWEZNQCLSA-N	1	0	365.441	1.451	20	30		FDEDRO
C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1	ZINC001573295331	947015059	/nfs/dbraw/zinc/01/50/59/947015059.db2.gz	OVMAONMSURJMNZ-ZYHUDNBSSA-N	1	0	363.853	1.635	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@]2(CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1	ZINC001573567976	947063189	/nfs/dbraw/zinc/06/31/89/947063189.db2.gz	VWQTWXHTQOILNM-AUUYWEPGSA-N	1	0	365.441	1.451	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCCC[C@@H]1CN(C)c1cc[nH+]cc1-c1nn[nH]n1	ZINC001573568184	947067462	/nfs/dbraw/zinc/06/74/62/947067462.db2.gz	YZCXEGSBQZWPEE-CHWSQXEVSA-N	1	0	354.418	1.239	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC[C@H]1C	ZINC001573298739	947082080	/nfs/dbraw/zinc/08/20/80/947082080.db2.gz	RSNLQRZQVIIROL-PWSUYJOCSA-N	1	0	363.853	1.635	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573300483	947112793	/nfs/dbraw/zinc/11/27/93/947112793.db2.gz	YBGDCFITHIXDBN-YPMHNXCESA-N	1	0	363.853	1.826	20	30		FDEDRO
C[C@H](C#N)C(=O)NC1CC(C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573573068	947118931	/nfs/dbraw/zinc/11/89/31/947118931.db2.gz	LYRDREXEMPPSOS-CDWSIMAYSA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@H](C#N)C(=O)NC1(C)CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1	ZINC001573574663	947132888	/nfs/dbraw/zinc/13/28/88/947132888.db2.gz	SMKWSTFEQJBUJY-GFCCVEGCSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC1(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCCC1	ZINC001573575372	947139605	/nfs/dbraw/zinc/13/96/05/947139605.db2.gz	XZPRMIIFKXNFHQ-NSHDSACASA-N	1	0	359.459	1.606	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@H]1CCCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573576247	947150269	/nfs/dbraw/zinc/15/02/69/947150269.db2.gz	FRKQMPHUNFMVPC-RHSMWYFYSA-N	1	0	367.457	1.887	20	30		FDEDRO
C=CC(C)(C)CC(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573305218	947152862	/nfs/dbraw/zinc/15/28/62/947152862.db2.gz	BPDVRYWTODCPKB-UHFFFAOYSA-N	1	0	355.446	1.593	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@H]1CCCCN1Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573577042	947159930	/nfs/dbraw/zinc/15/99/30/947159930.db2.gz	LLGKRWIPXNMPME-SWLSCSKDSA-N	1	0	371.420	1.636	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1	ZINC001573307964	947185197	/nfs/dbraw/zinc/18/51/97/947185197.db2.gz	XKJGUDZYXCPLDR-QGZVFWFLSA-N	1	0	355.446	1.737	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2[NH2+]Cc2nccn2C)cc1	ZINC001090864096	947327636	/nfs/dbraw/zinc/32/76/36/947327636.db2.gz	ANSIBRVKRXVAKC-JCGIZDLHSA-N	1	0	367.453	1.673	20	30		FDEDRO
C=CCC1(C(=O)N[C@H](C)[C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1	ZINC001573326413	947372384	/nfs/dbraw/zinc/37/23/84/947372384.db2.gz	OSJYDQPOLIBXRN-QWHCGFSZSA-N	1	0	355.446	1.735	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2[NH2+]Cc2ccn(C)n2)cc1	ZINC001090866354	947401450	/nfs/dbraw/zinc/40/14/50/947401450.db2.gz	CUWPHJYHRRBDSG-ZOCIIQOWSA-N	1	0	367.453	1.673	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN([C@@H](C)C(=O)NCc3ccccc3)C[C@H]2O)C1	ZINC001196019863	971385499	/nfs/dbraw/zinc/38/54/99/971385499.db2.gz	IRJQHYXWEOMWAM-CGTJXYLNSA-N	1	0	371.481	1.209	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1	ZINC001573335602	947483502	/nfs/dbraw/zinc/48/35/02/947483502.db2.gz	BBDKYRLTXFWHMP-GFCCVEGCSA-N	1	0	362.459	1.211	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C	ZINC001573344188	947568217	/nfs/dbraw/zinc/56/82/17/947568217.db2.gz	YISXKKLMXCGMFE-OAHLLOKOSA-N	1	0	371.445	1.185	20	30		FDEDRO
C=CCOCC[N@H+]1CCC[C@@](C)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1	ZINC001573347366	947574925	/nfs/dbraw/zinc/57/49/25/947574925.db2.gz	CWXRIBDQAURNHC-SFHVURJKSA-N	1	0	373.461	1.229	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090880650	947594149	/nfs/dbraw/zinc/59/41/49/947594149.db2.gz	CYKSXKAGKQIUBA-KCITZHQASA-N	1	0	371.481	1.667	20	30		FDEDRO
CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1	ZINC001573359314	947683647	/nfs/dbraw/zinc/68/36/47/947683647.db2.gz	YVBPQNQZSGGYAH-KRWDZBQOSA-N	1	0	367.457	1.535	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cscn2)C[C@H]1c1ccc(OC)cc1	ZINC001090882175	947691280	/nfs/dbraw/zinc/69/12/80/947691280.db2.gz	YVJQXMRAROODKG-ZWKOTPCHSA-N	1	0	355.463	1.912	20	30		FDEDRO
CO[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)CC[NH+]1CCCCC1	ZINC001090892364	947746685	/nfs/dbraw/zinc/74/66/85/947746685.db2.gz	JTYMZJJRNYQDPM-SJLPKXTDSA-N	1	0	357.458	1.149	20	30		FDEDRO
CO[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)CC[NH+]1CCCCC1	ZINC001090892499	947748001	/nfs/dbraw/zinc/74/80/01/947748001.db2.gz	RLSFJXZZHJIVMW-IAGOWNOFSA-N	1	0	357.458	1.149	20	30		FDEDRO
[NH3+]Cc1ccc2c(c1)CCCN2C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000844164106	947843234	/nfs/dbraw/zinc/84/32/34/947843234.db2.gz	DAXVIXLFFRGFLI-HNENSFHCSA-N	1	0	354.410	1.341	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1OC	ZINC001090904834	947887336	/nfs/dbraw/zinc/88/73/36/947887336.db2.gz	FKGUAVVQVUICQJ-HUUCEWRRSA-N	1	0	365.503	1.375	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H]1OC	ZINC001090912472	947917483	/nfs/dbraw/zinc/91/74/83/947917483.db2.gz	UZOCDWHUNXOSEP-VXGBXAGGSA-N	1	0	371.894	1.330	20	30		FDEDRO
C[N@@H+](C[C@H](O)c1cccc(C#N)c1)C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000844368991	948019309	/nfs/dbraw/zinc/01/93/09/948019309.db2.gz	XAYRAPAGCMGDMP-HKUYNNGSSA-N	1	0	371.393	1.872	20	30		FDEDRO
N#Cc1cncc(C[N@H+]2C[C@@H]3COC[C@H](C(=O)N4CCCCO4)[C@@H]3C2)c1	ZINC001144074841	948187784	/nfs/dbraw/zinc/18/77/84/948187784.db2.gz	GMXCGPRMTKBDOA-KURKYZTESA-N	1	0	356.426	1.202	20	30		FDEDRO
CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2C#N)C1)C(C)C	ZINC001090993868	948282174	/nfs/dbraw/zinc/28/21/74/948282174.db2.gz	XDBJMMCOJULTAD-DJIMGWMZSA-N	1	0	358.490	1.973	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)/C=C/c2ccc(F)cc2)CC1	ZINC001144210442	948383441	/nfs/dbraw/zinc/38/34/41/948383441.db2.gz	UUKRQEMODHOFMY-FSNWXROXSA-N	1	0	361.461	1.798	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@@H]3COCCO3)CC2)c1	ZINC000844904049	948490366	/nfs/dbraw/zinc/49/03/66/948490366.db2.gz	XSLGCKGKPRQYJY-GOSISDBHSA-N	1	0	358.442	1.237	20	30		FDEDRO
CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1	ZINC000844927845	948510845	/nfs/dbraw/zinc/51/08/45/948510845.db2.gz	QJLDCHOBCFPFOZ-OALUTQOASA-N	1	0	356.470	1.406	20	30		FDEDRO
CC[C@H](C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O)[NH+](CC)CC	ZINC001196115156	971486289	/nfs/dbraw/zinc/48/62/89/971486289.db2.gz	KFQSOBJUEDDTGB-GUDVDZBRSA-N	1	0	358.486	1.340	20	30		FDEDRO
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000844953481	948568492	/nfs/dbraw/zinc/56/84/92/948568492.db2.gz	KUEGUVVVCRZGPY-KURKYZTESA-N	1	0	358.442	1.096	20	30		FDEDRO
N#Cc1ccc(N2C[C@H]3OCCN(C(=O)CCC[NH+]4CCCC4)[C@H]3C2)nc1	ZINC001091045651	948634657	/nfs/dbraw/zinc/63/46/57/948634657.db2.gz	ORQOSUQUNAHVGX-ZWKOTPCHSA-N	1	0	369.469	1.245	20	30		FDEDRO
CC[C@H](C(=O)N1CCO[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]21)[NH+](CC)CC	ZINC001091058993	948821949	/nfs/dbraw/zinc/82/19/49/948821949.db2.gz	YLZQIFFDEHWBAZ-FGTMMUONSA-N	1	0	371.485	1.490	20	30		FDEDRO
C#CCN1CCN(C(=O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1	ZINC000775688668	971512236	/nfs/dbraw/zinc/51/22/36/971512236.db2.gz	IMXVZUKJLROPBV-PZJWPPBQSA-N	1	0	368.525	1.264	20	30		FDEDRO
CC[C@@H](C(=O)N[C@@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@H]1O)[NH+](C)C	ZINC001196207148	971541919	/nfs/dbraw/zinc/54/19/19/971541919.db2.gz	KWZSNONZEAUZAS-FGTMMUONSA-N	1	0	363.889	1.193	20	30		FDEDRO
CC(C)(C)C#CC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573793294	949291654	/nfs/dbraw/zinc/29/16/54/949291654.db2.gz	NZRGNRHYKWEKCN-INIZCTEOSA-N	1	0	352.442	1.607	20	30		FDEDRO
C#Cc1ccc(C[N@H+]2CCC[C@@]3(CCN(CC(=O)N(C)C)C3=O)C2)cc1	ZINC001144571815	949953277	/nfs/dbraw/zinc/95/32/77/949953277.db2.gz	JKQLMGSMEARWBX-OAQYLSRUSA-N	1	0	353.466	1.571	20	30		FDEDRO
C#Cc1ccc(CN2Cc3nccn3C[C@@H](C[NH+]3CCN(C)CC3)C2)cc1	ZINC001144572362	949954626	/nfs/dbraw/zinc/95/46/26/949954626.db2.gz	XMKMZMVKXBIEKE-NRFANRHFSA-N	1	0	363.509	1.744	20	30		FDEDRO
C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001574745210	950378539	/nfs/dbraw/zinc/37/85/39/950378539.db2.gz	HFNRAIRVSQCCNR-LBPRGKRZSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC1	ZINC001570982806	950646570	/nfs/dbraw/zinc/64/65/70/950646570.db2.gz	FLHCQLZROBGKAU-LLVKDONJSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCc2nnc(Cn3cccn3)n2CC1	ZINC001171218082	950667910	/nfs/dbraw/zinc/66/79/10/950667910.db2.gz	TTWHIAJUDXPQAV-MRXNPFEDSA-N	1	0	361.453	1.884	20	30		FDEDRO
C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C#CC1CC1	ZINC001574520571	950736790	/nfs/dbraw/zinc/73/67/90/950736790.db2.gz	UTLGKMXWFZNDHM-STQMWFEESA-N	1	0	370.432	1.792	20	30		FDEDRO
N#Cc1nccc(N2CC[C@@H]3CCN(C(=O)CCC[NH+]4CCCC4)C[C@@H]32)n1	ZINC001091212998	950897972	/nfs/dbraw/zinc/89/79/72/950897972.db2.gz	ACYPDFTUQQTSRV-IRXDYDNUSA-N	1	0	368.485	1.651	20	30		FDEDRO
COCC[NH2+]C1CCN(C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1	ZINC000846320819	950918098	/nfs/dbraw/zinc/91/80/98/950918098.db2.gz	VOZRCSXUEYMXAO-AWEZNQCLSA-N	1	0	374.441	1.143	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N1CC[C@H]2CCN(c3cncc(C#N)n3)[C@H]2C1	ZINC001091216464	951000265	/nfs/dbraw/zinc/00/02/65/951000265.db2.gz	LJUPRRLFSOSIRP-RDJZCZTQSA-N	1	0	356.474	1.507	20	30		FDEDRO
C[C@H]1[C@@H](Nc2cnc(-c3nn[nH]n3)c(C#N)n2)CC[N@@H+]1Cc1ccccc1	ZINC001571000127	951107733	/nfs/dbraw/zinc/10/77/33/951107733.db2.gz	GFEVXTRWJKTUHK-JSGCOSHPSA-N	1	0	361.413	1.603	20	30		FDEDRO
CC[C@H](C(=O)N1CC[C@H]2CCN(c3nccnc3C#N)[C@H]2C1)[NH+](CC)CC	ZINC001091230167	951121166	/nfs/dbraw/zinc/12/11/66/951121166.db2.gz	JDMXGRWALOFURQ-JQHSSLGASA-N	1	0	370.501	1.896	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21	ZINC000846444349	951122871	/nfs/dbraw/zinc/12/28/71/951122871.db2.gz	UQSZLKCLMZYSTL-PWRODBHTSA-N	1	0	367.493	1.586	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC([NH2+]Cc2cc(OC)ns2)C1	ZINC001091239418	951130070	/nfs/dbraw/zinc/13/00/70/951130070.db2.gz	USLZHAUIMMUICP-VHMBPLKRSA-N	1	0	351.472	1.727	20	30		FDEDRO
CC(=O)N1CC2(C1)C[N@H+]([C@@H](C)Cc1cccc(C#N)c1)C[C@H]2C(=O)N(C)C	ZINC001171231462	951270929	/nfs/dbraw/zinc/27/09/29/951270929.db2.gz	JYMBEFXJMIZGRB-KXBFYZLASA-N	1	0	368.481	1.358	20	30		FDEDRO
Cc1cc(C#N)nc(N[C@@H]2CCCC[C@H]2NC(=O)C[N@@H+](C)C2CCC2)n1	ZINC001091301071	951354977	/nfs/dbraw/zinc/35/49/77/951354977.db2.gz	PBMWJDLDFYDWCL-IAGOWNOFSA-N	1	0	356.474	1.980	20	30		FDEDRO
Cn1cc([C@H](O)C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cn1	ZINC000846611974	951375969	/nfs/dbraw/zinc/37/59/69/951375969.db2.gz	MIBIRFWMFIJDIL-SFHVURJKSA-N	1	0	353.426	1.106	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCc2cc(O[C@H]3CCN(CC#N)C3)ccn2)CC[N@@H+]1C	ZINC001091399568	951569941	/nfs/dbraw/zinc/56/99/41/951569941.db2.gz	ACWAUGYISBRYNI-FHLIZLRMSA-N	1	0	357.458	1.015	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)c2)C1	ZINC001091406566	951604430	/nfs/dbraw/zinc/60/44/30/951604430.db2.gz	SQVMEXSYVGGZSP-LULLPPNCSA-N	1	0	357.454	1.904	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[N@@H+]2CCc3c(sc(N)c3-c3nn[nH]n3)C2)cc1	ZINC001571037021	951616385	/nfs/dbraw/zinc/61/63/85/951616385.db2.gz	HBRLLOXJKZLZGL-ZDUSSCGKSA-N	1	0	367.438	1.474	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@H]3COCCO3)C[C@H]1C[N@H+](Cc1ccc(C#N)s1)C2	ZINC001091503764	951893315	/nfs/dbraw/zinc/89/33/15/951893315.db2.gz	MWVPEPXRBGXBGS-SKDZVZGDSA-N	1	0	361.467	1.315	20	30		FDEDRO
C[C@]12CN(C(=O)c3cn[nH]c3)C[C@H]1C[N@H+](CC#Cc1ccc(F)cc1)C2	ZINC001091511550	951908233	/nfs/dbraw/zinc/90/82/33/951908233.db2.gz	ZVMPDHIPIQQLRX-XLIONFOSSA-N	1	0	352.413	1.994	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@H]3COCCO3)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001091504090	951912283	/nfs/dbraw/zinc/91/22/83/951912283.db2.gz	WLZKEKXEUAHRRE-HBFSDRIKSA-N	1	0	355.438	1.254	20	30		FDEDRO
C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1cc(C#N)c[nH]1	ZINC001575108330	951924994	/nfs/dbraw/zinc/92/49/94/951924994.db2.gz	LLINATYEDGZSQC-LBPRGKRZSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2C[N@H+](Cc3ccc4oc(=O)n(C)c4c3)C[C@@]2(C)C1	ZINC001091544497	951983641	/nfs/dbraw/zinc/98/36/41/951983641.db2.gz	ARQZPYJLQBOJGT-AGKSTNPPSA-N	1	0	368.437	1.571	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2C[N@H+](Cc3ccc4oc(=O)n(C)c4c3)C[C@@]2(C)C1	ZINC001091544501	951983697	/nfs/dbraw/zinc/98/36/97/951983697.db2.gz	ARQZPYJLQBOJGT-RCDCFZSISA-N	1	0	368.437	1.571	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCc4ccccc43)C[C@@]2(C)C1	ZINC001091544671	951983788	/nfs/dbraw/zinc/98/37/88/951983788.db2.gz	FEHNQIATMZVBEF-XPIZARPCSA-N	1	0	366.465	1.516	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cnccc4C)C[C@]3(C)C2)C1=O	ZINC001091562753	952079107	/nfs/dbraw/zinc/07/91/07/952079107.db2.gz	HKUIJHXYECUSDA-MMOPVJDHSA-N	1	0	368.481	1.571	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@]3(C)C2)C1=O	ZINC001091575356	952114920	/nfs/dbraw/zinc/11/49/20/952114920.db2.gz	ZOPXLJJDBCUIGH-SYNHAJSKSA-N	1	0	367.453	1.067	20	30		FDEDRO
N#Cc1cnc(N[C@@H]2CC[C@H](CNC(=O)CCC[NH+]3CCCC3)C2)cn1	ZINC001091584951	952145378	/nfs/dbraw/zinc/14/53/78/952145378.db2.gz	PGYXFWUALWRLDS-JKSUJKDBSA-N	1	0	356.474	1.921	20	30		FDEDRO
C[NH+]1CCC(CC(=O)NC[C@H]2CC[C@@H](Nc3ccc(C#N)nn3)C2)CC1	ZINC001091607566	952257624	/nfs/dbraw/zinc/25/76/24/952257624.db2.gz	VAEURSGLLGMMGY-JKSUJKDBSA-N	1	0	356.474	1.777	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@]2(C)C1)n1cncn1	ZINC001091610155	952278308	/nfs/dbraw/zinc/27/83/08/952278308.db2.gz	FSCHTCNZBSWPSF-CVAIRZPRSA-N	1	0	364.453	1.691	20	30		FDEDRO
C[C@H](C(=O)N1C[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@@]2(C)C1)n1cncn1	ZINC001091610208	952279411	/nfs/dbraw/zinc/27/94/11/952279411.db2.gz	LHBHDUFKOSOLCY-QFUCXCTJSA-N	1	0	363.465	1.671	20	30		FDEDRO
CC(C)(C(=O)NC[C@H]1CC[C@@H](Nc2nccnc2C#N)C1)[NH+]1CCCC1	ZINC001091621976	952342591	/nfs/dbraw/zinc/34/25/91/952342591.db2.gz	HIJUFTUKULETQN-LSDHHAIUSA-N	1	0	356.474	1.919	20	30		FDEDRO
CCc1nc(C#N)cc(N[C@@H]2CC[C@H](CNC(=O)C[N@@H+]3CC[C@H](C)C3)C2)n1	ZINC001091636765	952417006	/nfs/dbraw/zinc/41/70/06/952417006.db2.gz	CQOMHIVNZIUIRE-HRCADAONSA-N	1	0	370.501	1.949	20	30		FDEDRO
Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)c1	ZINC000772984729	952500171	/nfs/dbraw/zinc/50/01/71/952500171.db2.gz	OWYPXXUOBOUQKV-HLAUDOPJSA-N	1	0	356.426	1.828	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)c4ncc[nH]4)C[C@]3(C)C2)cc1C#N	ZINC001091654594	952512856	/nfs/dbraw/zinc/51/28/56/952512856.db2.gz	LHVKOROPJZDFQJ-UZLBHIALSA-N	1	0	365.437	1.884	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CN(Cc3nncn3C)C[C@@]2(C)C1	ZINC001091701927	952669148	/nfs/dbraw/zinc/66/91/48/952669148.db2.gz	LJYGVPWQDRFTTR-DYVFJYSZSA-N	1	0	351.882	1.874	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2C[N@H+](CCn3cncn3)C[C@@]2(C)C1	ZINC001091702294	952669958	/nfs/dbraw/zinc/66/99/58/952669958.db2.gz	VMRJEJPLAPSECT-PBHICJAKSA-N	1	0	351.882	1.837	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)C(=O)NCCCC)C2	ZINC001148310768	952679491	/nfs/dbraw/zinc/67/94/91/952679491.db2.gz	NWQSQNIPHKQYBO-BBWFWOEESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3CCO[C@H]3C(=C)C)C2)C1	ZINC001148424410	952726722	/nfs/dbraw/zinc/72/67/22/952726722.db2.gz	LHIMAXYAFYZTIE-IKGGRYGDSA-N	1	0	361.486	1.193	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000839878963	952731297	/nfs/dbraw/zinc/73/12/97/952731297.db2.gz	CCKDNEMICPMAPY-IBGZPJMESA-N	1	0	355.482	1.227	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C)n3nnnc3C(C)(C)C)C[C@]2(C)C1	ZINC001091724692	952741361	/nfs/dbraw/zinc/74/13/61/952741361.db2.gz	JYAFSZZHVUUKII-CLCXKQKWSA-N	1	0	358.490	1.335	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN3c3ncccn3)C[C@]2(C)C1	ZINC001091755254	952818853	/nfs/dbraw/zinc/81/88/53/952818853.db2.gz	IYERGNCXSSTSKB-HLIPFELVSA-N	1	0	355.486	1.802	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc(C(C)C)[nH]3)C2)cn1	ZINC001086857575	952875857	/nfs/dbraw/zinc/87/58/57/952875857.db2.gz	KJPDARNIKHCVAX-WMLDXEAASA-N	1	0	366.469	1.993	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1	ZINC001086876363	952928271	/nfs/dbraw/zinc/92/82/71/952928271.db2.gz	MGSUSRFSUKWDRQ-CMPLNLGQSA-N	1	0	369.263	1.510	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1	ZINC001086888500	952942547	/nfs/dbraw/zinc/94/25/47/952942547.db2.gz	AIGNAUQLRZSXAV-QGTPRVQTSA-N	1	0	369.469	1.476	20	30		FDEDRO
COCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC001086959386	952956003	/nfs/dbraw/zinc/95/60/03/952956003.db2.gz	BTORYXZRGNJFGV-FUHWJXTLSA-N	1	0	371.416	1.161	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)C3CC3)C[C@H]2[NH2+]Cc2ccc(C#N)cc2F)cn1	ZINC001086962126	952959966	/nfs/dbraw/zinc/95/99/66/952959966.db2.gz	NRBJVLRNWIZQQZ-PKOBYXMFSA-N	1	0	367.428	1.925	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001086971319	952974041	/nfs/dbraw/zinc/97/40/41/952974041.db2.gz	JBYRTEMYGPRSTI-ZOCIIQOWSA-N	1	0	362.437	1.536	20	30		FDEDRO
CC1CC(C[NH2+][C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2c2cnn(C)c2)C1	ZINC001086975516	952984776	/nfs/dbraw/zinc/98/47/76/952984776.db2.gz	RHBHRZDGLXNDAS-PLQDADFZSA-N	1	0	366.469	1.864	20	30		FDEDRO
CCc1nocc1C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1cnn(C)c1	ZINC001086978279	952989885	/nfs/dbraw/zinc/98/98/85/952989885.db2.gz	NSHTXTFRRKJIRM-PKOBYXMFSA-N	1	0	367.453	1.468	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2C(F)F)C[C@H]1c1cnn(C)c1	ZINC001086982262	952994842	/nfs/dbraw/zinc/99/48/42/952994842.db2.gz	BFQNVWCTQOWSJI-GXTWGEPZSA-N	1	0	364.400	1.475	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cncc(OC)c2C)C[C@H]1c1cnn(C)c1	ZINC001086984367	952998774	/nfs/dbraw/zinc/99/87/74/952998774.db2.gz	MCGQXMVSMOZZRN-DLBZAZTESA-N	1	0	355.442	1.516	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c(C)[nH]cc2NC(C)=O)C[C@H]1c1cnn(C)c1	ZINC001086985538	953002983	/nfs/dbraw/zinc/00/29/83/953002983.db2.gz	PMHZBXNCZSSCDU-DOTOQJQBSA-N	1	0	370.457	1.399	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c3c[nH]nc3ccc2C)C[C@H]1c1cnn(C)c1	ZINC001086985470	953003008	/nfs/dbraw/zinc/00/30/08/953003008.db2.gz	MAKUPBUWODKKDW-FUHWJXTLSA-N	1	0	364.453	1.989	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COc3ccccc3C2)C[C@H]1c1cnn(C)c1	ZINC001086987080	953008724	/nfs/dbraw/zinc/00/87/24/953008724.db2.gz	YMXJTPIFTJJEAC-YTQUADARSA-N	1	0	366.465	1.741	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2ccc3n[nH]cc3c2)C[C@H]1c1cnn(C)c1	ZINC001086987192	953009241	/nfs/dbraw/zinc/00/92/41/953009241.db2.gz	FCJJNALACZGYGM-PKOBYXMFSA-N	1	0	364.453	1.609	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc3ncccc3s2)C[C@H]1c1cnn(C)c1	ZINC001086990439	953017929	/nfs/dbraw/zinc/01/79/29/953017929.db2.gz	CHLWNFVBZYSULG-GOEBONIOSA-N	1	0	365.462	1.861	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccn(C3CCCC3)n2)C[C@H]1c1cnn(C)c1	ZINC001086981295	953032374	/nfs/dbraw/zinc/03/23/74/953032374.db2.gz	BLSGZFMKZZAFPQ-PKOBYXMFSA-N	1	0	366.469	1.563	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(C)nn2CC)C[C@H]1c1cnn(C)c1	ZINC001086998495	953042997	/nfs/dbraw/zinc/04/29/97/953042997.db2.gz	PCMKIHNEMLAGSS-DLBZAZTESA-N	1	0	356.474	1.719	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc3ccccc3c2)C[C@H]1c1cnn(C)c1	ZINC001086998735	953043276	/nfs/dbraw/zinc/04/32/76/953043276.db2.gz	BNDNYVBFWIJTEH-AZUAARDMSA-N	1	0	359.433	1.799	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccc(C)[nH]c2=O)C[C@H]1c1cnn(C)c1	ZINC001086998764	953043617	/nfs/dbraw/zinc/04/36/17/953043617.db2.gz	CQDIURICMZONGT-DLBZAZTESA-N	1	0	355.442	1.603	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2c(C)noc2C)C[C@H]1c1cnn(C)c1	ZINC001087001946	953056616	/nfs/dbraw/zinc/05/66/16/953056616.db2.gz	YLDBHCFCBRSTCO-OAUYIBNBSA-N	1	0	357.458	1.899	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2ncccn2)C[C@H]1c1cnn(C)c1	ZINC001087002773	953058499	/nfs/dbraw/zinc/05/84/99/953058499.db2.gz	PEGBXKDSWIRZQX-DLBZAZTESA-N	1	0	354.458	1.303	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)CCN3C)C[C@H]1c1cnn(C)c1	ZINC001087004736	953062795	/nfs/dbraw/zinc/06/27/95/953062795.db2.gz	QRCGQAVTZHPOPA-RBUKOAKNSA-N	1	0	363.465	1.243	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2cnn(CC)c2)C[C@H]1c1cnn(C)c1	ZINC001087005196	953064032	/nfs/dbraw/zinc/06/40/32/953064032.db2.gz	QEUPYDKBCKKPIK-ZWKOTPCHSA-N	1	0	356.474	1.339	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cccc(Cl)c2)C[C@H]1c1cnn(C)c1	ZINC001086994635	953066002	/nfs/dbraw/zinc/06/60/02/953066002.db2.gz	LYHWTSZGDHICPF-ZWKOTPCHSA-N	1	0	356.857	1.833	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CC(C)C)C[C@H]2OCC)C1=O	ZINC001087019867	953081940	/nfs/dbraw/zinc/08/19/40/953081940.db2.gz	SIBOVHPEWBYDMC-BRWVUGGUSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2ccccn2)C[C@H]1c1cnn(C)c1	ZINC001087006305	953090001	/nfs/dbraw/zinc/09/00/01/953090001.db2.gz	UNYHYMKHEQRKJB-BPQIPLTHSA-N	1	0	369.469	1.743	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]C(C)C)C1	ZINC001087006302	953090045	/nfs/dbraw/zinc/09/00/45/953090045.db2.gz	UHGFFOLDQAXEAW-ZWKOTPCHSA-N	1	0	367.453	1.433	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3cccc(F)c3O2)C[C@H]1c1cnn(C)c1	ZINC001087009926	953099843	/nfs/dbraw/zinc/09/98/43/953099843.db2.gz	FUMQRLHPDSGSGY-JQHSSLGASA-N	1	0	368.412	1.080	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c(C)n[nH]c2C)C[C@H]1c1cnn(C)c1	ZINC001087009856	953099861	/nfs/dbraw/zinc/09/98/61/953099861.db2.gz	BQQWCCWJZWOGNA-FASAQXTFSA-N	1	0	368.485	1.156	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)OC)C[C@H]1c1cnn(C)c1	ZINC001087010337	953101394	/nfs/dbraw/zinc/10/13/94/953101394.db2.gz	XGADZFUJLDFMQC-XUVXKRRUSA-N	1	0	366.465	1.195	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(=O)[nH]c2C)C[C@H]1c1cnn(C)c1	ZINC001087010902	953102904	/nfs/dbraw/zinc/10/29/04/953102904.db2.gz	XRIFLCJUDRYPQU-JKSUJKDBSA-N	1	0	355.442	1.521	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](OC)c2ccc(F)cc2)C[C@H]1c1cnn(C)c1	ZINC001087011392	953103920	/nfs/dbraw/zinc/10/39/20/953103920.db2.gz	ULJIJLKGRSPHLX-OTWHNJEPSA-N	1	0	370.428	1.464	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C)n2nc(C)cc2C)C[C@H]1c1cnn(C)c1	ZINC001087011590	953104510	/nfs/dbraw/zinc/10/45/10/953104510.db2.gz	DYGFIEKKBNMOHZ-YTQUADARSA-N	1	0	370.501	1.955	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1nn(C)cc1Cl	ZINC001087035753	953145676	/nfs/dbraw/zinc/14/56/76/953145676.db2.gz	LPOMSQAWFRSQNB-YWPYICTPSA-N	1	0	353.854	1.186	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001087035655	953145757	/nfs/dbraw/zinc/14/57/57/953145757.db2.gz	IVGHAYDPXMJWCH-FDQGKXFDSA-N	1	0	358.417	1.810	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087049117	953173289	/nfs/dbraw/zinc/17/32/89/953173289.db2.gz	PPOXQYNIEBKRBS-QZTJIDSGSA-N	1	0	359.470	1.672	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001087052247	953183058	/nfs/dbraw/zinc/18/30/58/953183058.db2.gz	MRVHKDKECMOJAM-NVXWUHKLSA-N	1	0	371.416	1.687	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cncnc2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087047352	953196319	/nfs/dbraw/zinc/19/63/19/953196319.db2.gz	FBKYYPWZPZKWCX-RTBURBONSA-N	1	0	365.437	1.615	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]nc2C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087070713	953223351	/nfs/dbraw/zinc/22/33/51/953223351.db2.gz	FYABKUHNBWFWTK-IEBWSBKVSA-N	1	0	367.453	1.857	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H]2CCCN(C)C2=O)[C@H](OCC)C1	ZINC001087071912	953226389	/nfs/dbraw/zinc/22/63/89/953226389.db2.gz	JMUFMPAQGJRPOW-OWCLPIDISA-N	1	0	351.491	1.273	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+][C@@H](C)c3nncn3C)[C@H](OCC)C2)C1	ZINC001087082356	953241142	/nfs/dbraw/zinc/24/11/42/953241142.db2.gz	HZQCSUMFRNLJRG-ARFHVFGLSA-N	1	0	361.490	1.686	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nncs2)[C@H](OCC)C1	ZINC001087085713	953247133	/nfs/dbraw/zinc/24/71/33/953247133.db2.gz	SXDZACQSQUITGP-APIJFGDWSA-N	1	0	366.487	1.082	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cscn3)[C@H](OCC)C2)cn1	ZINC001087097567	953285192	/nfs/dbraw/zinc/28/51/92/953285192.db2.gz	XNCKBLPONXFIKG-CRAIPNDOSA-N	1	0	370.478	1.786	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3CCCC(=O)N3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001091766088	953288576	/nfs/dbraw/zinc/28/85/76/953288576.db2.gz	KLEZFIGLJBZJGD-OPYAIIAOSA-N	1	0	366.465	1.507	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)CCN1c1ccc(C#N)cn1	ZINC001091784742	953301903	/nfs/dbraw/zinc/30/19/03/953301903.db2.gz	RDBWPALQEKGPNV-RYQLBKOJSA-N	1	0	371.485	1.395	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)CS(=O)(=O)C3CCCC3)C[C@]2(C)C1	ZINC001091786714	953304939	/nfs/dbraw/zinc/30/49/39/953304939.db2.gz	IZJYPQVAHUEWLN-QAPCUYQASA-N	1	0	354.516	1.700	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CCN1c1cncc(C#N)n1	ZINC001091786989	953305458	/nfs/dbraw/zinc/30/54/58/953305458.db2.gz	XQABXLMRJGJKEU-SCTDSRPQSA-N	1	0	370.501	1.942	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3cnc4ccccn4c3=O)C[C@]2(C)C1	ZINC001091792562	953314805	/nfs/dbraw/zinc/31/48/05/953314805.db2.gz	FTHSTIKMSZOGRZ-QRWLVFNGSA-N	1	0	352.438	1.665	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc4c(cc[nH]c4=O)n3)C[C@]2(C)C1	ZINC001091799854	953327980	/nfs/dbraw/zinc/32/79/80/953327980.db2.gz	GVCQHBUUUCUNBX-VLIAUNLRSA-N	1	0	350.422	1.753	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@H]2CC)n1	ZINC001091807266	953338167	/nfs/dbraw/zinc/33/81/67/953338167.db2.gz	VPLJVWWAGPXFBT-FCEWJHQRSA-N	1	0	370.501	1.724	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3sccc3-n3cnnn3)C[C@]2(C)C1	ZINC001091815380	953464384	/nfs/dbraw/zinc/46/43/84/953464384.db2.gz	DPRRGIAFOWBLIO-DYVFJYSZSA-N	1	0	356.455	1.141	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3COCCN3CC(F)F)C[C@]2(C)C1	ZINC001091883736	953521637	/nfs/dbraw/zinc/52/16/37/953521637.db2.gz	UMJBCUQASGBXMA-MDZRGWNJSA-N	1	0	371.472	1.699	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)c3cn(C)nc3[C@@H]3CCOC3)C[C@]2(C)C1	ZINC001091888207	953529361	/nfs/dbraw/zinc/52/93/61/953529361.db2.gz	ZPGVCJZNIQPHOB-QINHECLXSA-N	1	0	358.486	1.894	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1C[C@H]2CCN(c3ncc(C#N)cc3F)C[C@H]2C1	ZINC001091855419	953553283	/nfs/dbraw/zinc/55/32/83/953553283.db2.gz	ZMRXUJWYWDMOQJ-CVEARBPZSA-N	1	0	359.449	1.719	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N1C[C@H]2CCN(c3ccc(C#N)nn3)C[C@H]2C1	ZINC001091857002	953566538	/nfs/dbraw/zinc/56/65/38/953566538.db2.gz	TWJREQUWYXTNAW-CVEARBPZSA-N	1	0	356.474	1.365	20	30		FDEDRO
Cc1n[nH]nc1C(=O)N1C[C@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@@]2(C)C1	ZINC001091906756	953680910	/nfs/dbraw/zinc/68/09/10/953680910.db2.gz	ZHSFFAWUBAWKEH-UZLBHIALSA-N	1	0	367.428	1.698	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@H]3CCNC3=O)C[C@H]1C[N@H+](Cc1ccc(C#N)c(F)c1)C2	ZINC001091910530	953696875	/nfs/dbraw/zinc/69/68/75/953696875.db2.gz	AKLUPRAOZIMGPI-QINHECLXSA-N	1	0	370.428	1.114	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3C[N@H+](CC(=O)N4CCCC4)C[C@@]3(C)C2)c1	ZINC001091997259	953914116	/nfs/dbraw/zinc/91/41/16/953914116.db2.gz	TZDRJQCLNFWMTO-NQIIRXRSSA-N	1	0	366.465	1.079	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3C[N@@H+](CCc4cnn(C)c4)C[C@@]3(C)C2)c1	ZINC001091997063	953914447	/nfs/dbraw/zinc/91/44/47/953914447.db2.gz	JYRBYVTWRWQVAC-CTNGQTDRSA-N	1	0	363.465	1.433	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3C[N@@H+](Cc4ocnc4C)C[C@@]3(C)C2)c1	ZINC001091998224	953919091	/nfs/dbraw/zinc/91/90/91/953919091.db2.gz	WVGHUMGNYCLQOP-XLIONFOSSA-N	1	0	350.422	1.953	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CCN1c1cncc(C#N)n1	ZINC001092032009	953986531	/nfs/dbraw/zinc/98/65/31/953986531.db2.gz	YRXYSFBQEDWYSX-ZBFHGGJFSA-N	1	0	356.474	1.696	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cc(C)ncn3)C[C@@]2(C)C1	ZINC001092029996	954128746	/nfs/dbraw/zinc/12/87/46/954128746.db2.gz	NVXZXEBMMAZOQL-LBKNJMOBSA-N	1	0	356.470	1.656	20	30		FDEDRO
C[C@]12CN(C(=O)Cc3cnc[nH]3)C[C@H]1C[N@H+](Cc1ccc(C#N)c(F)c1)C2	ZINC001092052294	954144298	/nfs/dbraw/zinc/14/42/98/954144298.db2.gz	GYJIQNOXUBQSML-UZLBHIALSA-N	1	0	367.428	1.943	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@H]3C[N@H+](C[C@H]4CCOC4)C[C@@]3(C)C2)nn1	ZINC001092085029	954234417	/nfs/dbraw/zinc/23/44/17/954234417.db2.gz	AELCBRLSVLIDHJ-MDZRGWNJSA-N	1	0	359.474	1.285	20	30		FDEDRO
Cn1ncc(C(=O)N2C[C@H]3C[N@H+](Cc4ccc(F)c(C#N)c4)C[C@@]3(C)C2)n1	ZINC001092096847	954284538	/nfs/dbraw/zinc/28/45/38/954284538.db2.gz	GESXSWYVLROOCP-BEFAXECRSA-N	1	0	368.416	1.420	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cc(C)nc4n[nH]c(C)c43)C[C@]2(C)C1	ZINC001092098097	954292022	/nfs/dbraw/zinc/29/20/22/954292022.db2.gz	NDDAAKUPINHSEE-QRWLVFNGSA-N	1	0	351.454	1.992	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@]2(C)C1	ZINC001092232702	954580725	/nfs/dbraw/zinc/58/07/25/954580725.db2.gz	YZHNEIZCNZXUGQ-KNQAVFIVSA-N	1	0	365.477	1.223	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@H+](CC[C@H]4CCOC4)C[C@@]3(C)C2)cn1	ZINC001092211423	954617541	/nfs/dbraw/zinc/61/75/41/954617541.db2.gz	FWDSNSMKNOBVOR-CDXJDZJCSA-N	1	0	353.466	1.883	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@H+](C[C@@H]4CCCOC4)C[C@@]3(C)C2)cn1	ZINC001092211297	954617654	/nfs/dbraw/zinc/61/76/54/954617654.db2.gz	BPXUHXBDGITZQP-CDXJDZJCSA-N	1	0	353.466	1.883	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)Cn3ccc(C(F)(F)F)n3)C[C@]2(C)C1	ZINC001092256986	954719885	/nfs/dbraw/zinc/71/98/85/954719885.db2.gz	DQFUSIFSSKMKGI-CJNGLKHVSA-N	1	0	354.376	1.706	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(Cc4nocc4C)C[C@@]3(C)C2)CC1	ZINC001092299999	954747584	/nfs/dbraw/zinc/74/75/84/954747584.db2.gz	NZGPJRLXEUYLJQ-NQIIRXRSSA-N	1	0	370.497	1.609	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CN(c3nccnc3C#N)C[C@@]2(C)C1	ZINC001092301089	954751017	/nfs/dbraw/zinc/75/10/17/954751017.db2.gz	RWPLVSKUXPCXNY-KUHUBIRLSA-N	1	0	356.474	1.363	20	30		FDEDRO
Cc1nc(N2C[C@@H](CNC(=O)C[C@H]3CC[N@H+](C)C3)[C@H](C)C2)ccc1C#N	ZINC001092385000	954983465	/nfs/dbraw/zinc/98/34/65/954983465.db2.gz	PEDYNFYSAQRXGZ-QGPMSJSTSA-N	1	0	355.486	1.792	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)n1	ZINC001092385025	954983645	/nfs/dbraw/zinc/98/36/45/954983645.db2.gz	QLGHNXDWZPLGPS-RHSMWYFYSA-N	1	0	359.474	1.028	20	30		FDEDRO
Cc1cc(N2C[C@@H](CNC(=O)C[N@@H+]3CCC[C@H]3C)[C@H](C)C2)c(C#N)cn1	ZINC001092445277	955118495	/nfs/dbraw/zinc/11/84/95/955118495.db2.gz	QNMWXVCLOSTPSI-QGPMSJSTSA-N	1	0	355.486	1.935	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)c1cc[n+]([O-])cc1	ZINC001092447296	955128512	/nfs/dbraw/zinc/12/85/12/955128512.db2.gz	RKOUKXQTLHKDEZ-RDTXWAMCSA-N	1	0	368.412	1.829	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)[C@H]1COCCO1	ZINC001092469635	955203179	/nfs/dbraw/zinc/20/31/79/955203179.db2.gz	HFUQDEDKELJJNO-MZMPZRCHSA-N	1	0	361.417	1.297	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H](C)[C@H](CCNC(=O)C[NH+]3CCCC3)C2)n1	ZINC001092518894	955305056	/nfs/dbraw/zinc/30/50/56/955305056.db2.gz	AVUCLPZMDABDSY-HZPDHXFCSA-N	1	0	370.501	1.585	20	30		FDEDRO
Cc1cc(N2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c(C#N)cn1	ZINC001092519758	955307563	/nfs/dbraw/zinc/30/75/63/955307563.db2.gz	ISSPWNZNXURHNE-DJIMGWMZSA-N	1	0	355.486	1.792	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](CCNC(=O)C[NH+]3CCCC3)C2)n1	ZINC001092519599	955307583	/nfs/dbraw/zinc/30/75/83/955307583.db2.gz	YHCMIJWCJWCNCG-GDBMZVCRSA-N	1	0	356.474	1.331	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1CN(c2nccnc2C#N)C[C@H]1C	ZINC001092523898	955322656	/nfs/dbraw/zinc/32/26/56/955322656.db2.gz	QEZKFQZYTGZFHF-NUJGCVRESA-N	1	0	370.501	1.801	20	30		FDEDRO
C[C@@H]1CN(c2ccncc2C#N)C[C@H]1CCNC(=O)C12CC[NH+](CC1)C2	ZINC001092531277	955490249	/nfs/dbraw/zinc/49/02/49/955490249.db2.gz	DASROMRWXCUBJI-HZPDHXFCSA-N	1	0	353.470	1.628	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CCNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001092531683	955492793	/nfs/dbraw/zinc/49/27/93/955492793.db2.gz	OLUXODBGTLGYNE-BZUAXINKSA-N	1	0	356.474	1.269	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3cncc(F)c3)[C@H](C)C2)C1=O	ZINC001092542821	955544521	/nfs/dbraw/zinc/54/45/21/955544521.db2.gz	OXZJZPNPJJUUKR-UNEWFSDZSA-N	1	0	360.433	1.305	20	30		FDEDRO
CCn1ncc(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2C)n1	ZINC001092591011	955570924	/nfs/dbraw/zinc/57/09/24/955570924.db2.gz	ABQGWZCCMHZCCK-CZUORRHYSA-N	1	0	370.432	1.807	20	30		FDEDRO
CCn1ncc(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)n1	ZINC001092591700	955575158	/nfs/dbraw/zinc/57/51/58/955575158.db2.gz	NJWSGQDMWZXAMP-RHSMWYFYSA-N	1	0	352.442	1.668	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)c1cn(C)nn1	ZINC001092578970	955709215	/nfs/dbraw/zinc/70/92/15/955709215.db2.gz	QIRNWMLKTUELQZ-GDBMZVCRSA-N	1	0	368.441	1.215	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)[C@]12C[C@H]1COC2	ZINC001092624277	955870834	/nfs/dbraw/zinc/87/08/34/955870834.db2.gz	KNGXDRQGXIDJBV-JPUXWFAOSA-N	1	0	357.429	1.918	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CCNc1ccncc1C#N	ZINC001092626569	955878824	/nfs/dbraw/zinc/87/88/24/955878824.db2.gz	ZAHGSTQUYNUXKC-HZPDHXFCSA-N	1	0	355.486	1.613	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1C[C@@H](CNc2cc(C)ncc2C#N)[C@H](C)C1	ZINC001092656260	955914378	/nfs/dbraw/zinc/91/43/78/955914378.db2.gz	HQVHSGSMVLXFAJ-CRAIPNDOSA-N	1	0	357.502	1.922	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](CCOC[C@H]2CCCO2)CC1	ZINC001197195945	972137998	/nfs/dbraw/zinc/13/79/98/972137998.db2.gz	OAYCXWKOSGLUPO-KURKYZTESA-N	1	0	352.475	1.307	20	30		FDEDRO
CC[C@H](C(=O)N1C[C@@H](CNc2ccc(C#N)nn2)[C@H](C)C1)[NH+](CC)CC	ZINC001092675156	955983786	/nfs/dbraw/zinc/98/37/86/955983786.db2.gz	WXNCOSLLXJHXBS-BFYDXBDKSA-N	1	0	358.490	1.975	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1C	ZINC001092678197	955998129	/nfs/dbraw/zinc/99/81/29/955998129.db2.gz	ZCNQRYYOIFEMAI-JFIYKMOQSA-N	1	0	358.486	1.593	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)NC[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1C	ZINC001092703841	956110213	/nfs/dbraw/zinc/11/02/13/956110213.db2.gz	VKLFNOKENSTDCU-IAQYHMDHSA-N	1	0	371.416	1.932	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)c1ccn(C)c(=O)c1	ZINC001092740316	956236919	/nfs/dbraw/zinc/23/69/19/956236919.db2.gz	LWXSKCXFEHZZHF-DNVCBOLYSA-N	1	0	364.449	1.755	20	30		FDEDRO
CN1CCC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC#Cc2ccccc2)C3)C1=O	ZINC001110135598	956316519	/nfs/dbraw/zinc/31/65/19/956316519.db2.gz	LCPUWPJWXVVLAP-FYQPLNBISA-N	1	0	365.477	1.771	20	30		FDEDRO
CN(CCC[NH+](C)C)S(=O)(=O)c1ccc(Br)c(C#N)c1	ZINC001197277218	972173423	/nfs/dbraw/zinc/17/34/23/972173423.db2.gz	DEPRBUPTDZLIDJ-UHFFFAOYSA-N	1	0	360.277	1.893	20	30		FDEDRO
Cn1cncc1CNS(=O)(=O)c1ccc(Br)c(C#N)c1	ZINC001197278195	972194543	/nfs/dbraw/zinc/19/45/43/972194543.db2.gz	ZYINNFZQZKOPJD-UHFFFAOYSA-N	1	0	355.217	1.533	20	30		FDEDRO
Cc1nn[nH]c1C(=O)NC[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1C	ZINC001092874597	956614151	/nfs/dbraw/zinc/61/41/51/956614151.db2.gz	QCURBHHVPQMSPU-IAQYHMDHSA-N	1	0	356.405	1.622	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)c1coc(C(N)=O)c1	ZINC001092851058	956679511	/nfs/dbraw/zinc/67/95/11/956679511.db2.gz	OGNPTQSOPMQIQL-CXAGYDPISA-N	1	0	366.421	1.748	20	30		FDEDRO
Cc1ccc(C#N)c(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)n1	ZINC001092859915	956718128	/nfs/dbraw/zinc/71/81/28/956718128.db2.gz	VBQKTFLBMVLPTD-IKGGRYGDSA-N	1	0	357.458	1.066	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C#N)nc(CC)n1	ZINC001092862795	956726086	/nfs/dbraw/zinc/72/60/86/956726086.db2.gz	WMNJOZDFVFTBEV-PMPSAXMXSA-N	1	0	356.474	1.478	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)[C@@H]1CCN(C)C1=O	ZINC001092898082	956829545	/nfs/dbraw/zinc/82/95/45/956829545.db2.gz	VMKYKXYJNZIKFN-SUMDDJOVSA-N	1	0	371.456	1.340	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)[C@H]1CCN(C)C1=O	ZINC001092898083	956830575	/nfs/dbraw/zinc/83/05/75/956830575.db2.gz	VMKYKXYJNZIKFN-SZVBFZGTSA-N	1	0	371.456	1.340	20	30		FDEDRO
N#Cc1ccc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+]2CCCCC2)C3)nn1	ZINC001092979577	956981517	/nfs/dbraw/zinc/98/15/17/956981517.db2.gz	CQAYIVVAURGCAX-ZACQAIPSSA-N	1	0	354.458	1.450	20	30		FDEDRO
N#Cc1cnc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCC[NH+]2CCCC2)C3)cn1	ZINC001092988519	957054251	/nfs/dbraw/zinc/05/42/51/957054251.db2.gz	DJELIADSBXNZGS-KURKYZTESA-N	1	0	368.485	1.840	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C)cc(C#N)n1	ZINC001093019126	957145059	/nfs/dbraw/zinc/14/50/59/957145059.db2.gz	VAYQXWHQNNFVEP-VQHPVUNQSA-N	1	0	374.464	1.563	20	30		FDEDRO
Cc1nsc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C3)c1C#N	ZINC001093022754	957158971	/nfs/dbraw/zinc/15/89/71/957158971.db2.gz	CBLMKSDRKLBHAS-OJLVUWQFSA-N	1	0	359.499	1.889	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-n3ccnc3)ccn2)C1	ZINC001197433259	972247387	/nfs/dbraw/zinc/24/73/87/972247387.db2.gz	HTYGIDHKOVFBBA-ZTFGCOKTSA-N	1	0	355.442	1.397	20	30		FDEDRO
CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1)[NH+](CC)CC	ZINC001093043432	957206929	/nfs/dbraw/zinc/20/69/29/957206929.db2.gz	QVNYKJVUNXXOCE-VQHPVUNQSA-N	1	0	356.474	1.695	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3ccnc(C)c3)[C@H](C)C2)C1=O	ZINC001093070381	957321785	/nfs/dbraw/zinc/32/17/85/957321785.db2.gz	ZPMGCTFIKHPBTE-OLMNPRSZSA-N	1	0	356.470	1.475	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)c1cc(C(N)=O)c[nH]1	ZINC001093084429	957365684	/nfs/dbraw/zinc/36/56/84/957365684.db2.gz	JWCNDGZTKDRDAM-CRAIPNDOSA-N	1	0	364.449	1.463	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)c1cc(C(N)=O)c[nH]1	ZINC001093084796	957367378	/nfs/dbraw/zinc/36/73/78/957367378.db2.gz	MQOAAOACCFDZOG-CXAGYDPISA-N	1	0	365.437	1.483	20	30		FDEDRO
COc1ncc(C(=O)NC[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)cn1	ZINC001093101371	957419641	/nfs/dbraw/zinc/41/96/41/957419641.db2.gz	USQPHNFZJRRYLU-RDTXWAMCSA-N	1	0	365.437	1.855	20	30		FDEDRO
CC[C@@H](C(=O)N[C@]12CCC[C@H]1CN(c1ccnc(C#N)n1)C2)[NH+](CC)CC	ZINC001093103404	957435538	/nfs/dbraw/zinc/43/55/38/957435538.db2.gz	BYWOGPXTZQWQNJ-FTRWYGJKSA-N	1	0	370.501	1.944	20	30		FDEDRO
C[N@H+](CC(=O)N[C@]12CCC[C@H]1CN(c1ccnc(C#N)n1)C2)CC(C)(C)C	ZINC001093103374	957436659	/nfs/dbraw/zinc/43/66/59/957436659.db2.gz	AZXJOSLGDFLONB-YWZLYKJASA-N	1	0	370.501	1.801	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H]3CCC[C@]3(NC(=O)C[NH+](CC)CC)C2)n1	ZINC001093088301	957504773	/nfs/dbraw/zinc/50/47/73/957504773.db2.gz	CRMRWRMEODNCGL-YWZLYKJASA-N	1	0	370.501	1.728	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NC[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1C	ZINC001093120015	957573290	/nfs/dbraw/zinc/57/32/90/957573290.db2.gz	ZECVZEAUORZFEB-HZPDHXFCSA-N	1	0	370.457	1.236	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@@H]1C[N@@H+](Cc2conc2C)C[C@H]1C	ZINC001093137708	957630332	/nfs/dbraw/zinc/63/03/32/957630332.db2.gz	HSOPIUFTEKVMFW-GDBMZVCRSA-N	1	0	368.437	1.888	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC3CCCC3)C[C@H]2C)nc1	ZINC001093141967	957638716	/nfs/dbraw/zinc/63/87/16/957638716.db2.gz	XYUSRMWLTHCACO-NVXWUHKLSA-N	1	0	368.481	1.419	20	30		FDEDRO
CC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C	ZINC001093144888	957646080	/nfs/dbraw/zinc/64/60/80/957646080.db2.gz	YSIMPCKDVKUCSH-YSGRDPCXSA-N	1	0	368.481	1.753	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)c1ccc(=O)n(C)n1	ZINC001093178389	957684447	/nfs/dbraw/zinc/68/44/47/957684447.db2.gz	BTLBGZCCWCDGHE-RHSMWYFYSA-N	1	0	365.437	1.150	20	30		FDEDRO
Cc1nonc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1C	ZINC001093252336	957930355	/nfs/dbraw/zinc/93/03/55/957930355.db2.gz	HCDARCFFBGKENX-IAQYHMDHSA-N	1	0	357.389	1.887	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2	ZINC001110142986	957936500	/nfs/dbraw/zinc/93/65/00/957936500.db2.gz	TXIUPIGTOSJVDW-AABGKKOBSA-N	1	0	355.482	1.733	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3coc(C)n3)C[C@H]2C)C1=O	ZINC001093274473	957944676	/nfs/dbraw/zinc/94/46/76/957944676.db2.gz	PHFZHBYGZJOQRS-BMFZPTHFSA-N	1	0	360.458	1.458	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CC[NH2+][C@@H]1CCN(C2CCC2)C1=O	ZINC001093278663	957950268	/nfs/dbraw/zinc/95/02/68/957950268.db2.gz	UCVXCTLFAQUZPW-SZVBFZGTSA-N	1	0	357.498	1.627	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)CC3(O)CCC3)C[C@H]2C)C1=O	ZINC001093279308	957951966	/nfs/dbraw/zinc/95/19/66/957951966.db2.gz	XWOQPIGYTWISBW-ZACQAIPSSA-N	1	0	363.502	1.153	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3csnn3)C[C@H]2C)C1=O	ZINC001093280796	957957124	/nfs/dbraw/zinc/95/71/24/957957124.db2.gz	LGTDNPNRLIZGPK-MCIONIFRSA-N	1	0	363.487	1.013	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3c[nH]cc3C)C[C@H]2C)C1=O	ZINC001093290871	957985315	/nfs/dbraw/zinc/98/53/15/957985315.db2.gz	BYKQILZERPVXOB-JFIYKMOQSA-N	1	0	358.486	1.798	20	30		FDEDRO
C=CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CCO2	ZINC001093406668	958024143	/nfs/dbraw/zinc/02/41/43/958024143.db2.gz	HCXOXXPSBJVXTN-AGYKMIKPSA-N	1	0	358.486	1.839	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2ccc(Cl)s2)C1	ZINC001197619414	972313285	/nfs/dbraw/zinc/31/32/85/972313285.db2.gz	GOBBMQPESKAFMD-YNEHKIRRSA-N	1	0	358.891	1.869	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cc(C)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093434996	958062723	/nfs/dbraw/zinc/06/27/23/958062723.db2.gz	QUERVHNLGURZAI-IZBJGVDFSA-N	1	0	360.502	1.734	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cnn(C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093438044	958071662	/nfs/dbraw/zinc/07/16/62/958071662.db2.gz	YMLASCGSSGJABW-HNBVOPMISA-N	1	0	360.502	1.505	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3nnc[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093439016	958073239	/nfs/dbraw/zinc/07/32/39/958073239.db2.gz	IMBHCKKTSDXQQY-OHDICMOHSA-N	1	0	361.490	1.280	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)C#CC2CC2)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cccnc1)C2	ZINC001093442956	958083146	/nfs/dbraw/zinc/08/31/46/958083146.db2.gz	MNXCZRLNNKQSFF-CZAYHTPWSA-N	1	0	367.493	1.961	20	30		FDEDRO
Cc1oncc1C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C#CC3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093443516	958085063	/nfs/dbraw/zinc/08/50/63/958085063.db2.gz	RIVPAWRVVMRRHZ-QCFAMHMHSA-N	1	0	371.481	1.863	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncc[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093443875	958086890	/nfs/dbraw/zinc/08/68/90/958086890.db2.gz	VQYJHOZQKMFZAB-WBOJAVRRSA-N	1	0	352.866	1.742	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(Cl)cnn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093446745	958096205	/nfs/dbraw/zinc/09/62/05/958096205.db2.gz	LJNFWMGCHRUILE-SZXPJGKVSA-N	1	0	364.877	1.286	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(Cl)cnn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093447089	958098006	/nfs/dbraw/zinc/09/80/06/958098006.db2.gz	QRYHNJBOQZEMPO-SZXPJGKVSA-N	1	0	366.893	1.839	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cc(C4CC4)no3)[C@H]2C(C)C)C[C@H]1O	ZINC001093447857	958103667	/nfs/dbraw/zinc/10/36/67/958103667.db2.gz	AQEMOWZDCKMASM-QCFAMHMHSA-N	1	0	371.481	1.694	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3snnc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093459803	958183842	/nfs/dbraw/zinc/18/38/42/958183842.db2.gz	WBWOJYNBCHDGBI-SZXPJGKVSA-N	1	0	362.499	1.313	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc(C)n3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093459760	958185041	/nfs/dbraw/zinc/18/50/41/958185041.db2.gz	NCJHCVJAPPZYIA-DLVXIWMQSA-N	1	0	360.502	1.884	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(c4cccnc4)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093459970	958186415	/nfs/dbraw/zinc/18/64/15/958186415.db2.gz	OGAINVMVELMQRW-WERVVEIQSA-N	1	0	367.493	1.713	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C3)[C@H]2C(C)C)CC1	ZINC001093461238	958192261	/nfs/dbraw/zinc/19/22/61/958192261.db2.gz	GTQIZKZXZAJOKE-CIWUYKSXSA-N	1	0	363.502	1.184	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccnc3OC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093462197	958193668	/nfs/dbraw/zinc/19/36/68/958193668.db2.gz	NSJILLNOKLVDAK-WOCWXWTJSA-N	1	0	357.454	1.303	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ocnc3C(F)F)[C@@H]2C(C)C)C[C@H]1O	ZINC001093464072	958198080	/nfs/dbraw/zinc/19/80/80/958198080.db2.gz	BURYGAQYSCWOHX-CBBSBYJHSA-N	1	0	367.396	1.825	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CC=C)C3)[C@H]2C(C)C)c1	ZINC001093464086	958198223	/nfs/dbraw/zinc/19/82/23/958198223.db2.gz	BYEGBHVNVUEPGM-XCJLJZCSSA-N	1	0	353.466	1.829	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccncc3Cl)[C@@H]2C(C)C)C[C@H]1O	ZINC001093464506	958199500	/nfs/dbraw/zinc/19/95/00/958199500.db2.gz	BXYQHNOXDOWNBX-YWTNHNAXSA-N	1	0	361.873	1.948	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc(C4CC4)nc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093468303	958218048	/nfs/dbraw/zinc/21/80/48/958218048.db2.gz	YNVUHJVZIZASPS-DCXXXQMHSA-N	1	0	368.481	1.567	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093469322	958220892	/nfs/dbraw/zinc/22/08/92/958220892.db2.gz	FPZVJSZPHATSKB-BSXFFOKHSA-N	1	0	364.877	1.809	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn4cc[nH]c34)[C@@H]2C(C)C)C[C@H]1O	ZINC001093472514	958238960	/nfs/dbraw/zinc/23/89/60/958238960.db2.gz	JMTKSNYBFUEYQN-NNFUDEMPSA-N	1	0	357.458	1.428	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COc3ccccc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093473420	958244511	/nfs/dbraw/zinc/24/45/11/958244511.db2.gz	NWJMBDLKUILIBH-UKAVVXHISA-N	1	0	356.466	1.665	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn4cc[nH]c34)[C@@H]2C(C)C)C[C@H]1O	ZINC001093473821	958244930	/nfs/dbraw/zinc/24/49/30/958244930.db2.gz	PIFKQXVSHZPMBX-WOCWXWTJSA-N	1	0	371.485	1.818	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3nnc[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093474464	958248702	/nfs/dbraw/zinc/24/87/02/958248702.db2.gz	VFCRSHMRMTTWCW-BQGCOEIASA-N	1	0	367.881	1.066	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncccc3OC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093474588	958248975	/nfs/dbraw/zinc/24/89/75/958248975.db2.gz	SLJAJRMZNRNCAA-CWLMSFPYSA-N	1	0	359.470	1.856	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccccc3C#C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093474664	958250250	/nfs/dbraw/zinc/25/02/50/958250250.db2.gz	UAPJWRXCARPQJT-OHUMZHCVSA-N	1	0	364.489	1.810	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3coc(OCC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093454116	958265739	/nfs/dbraw/zinc/26/57/39/958265739.db2.gz	ZFAQGBZWXVUZNG-JNNRSPCRSA-N	1	0	361.442	1.286	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3n[nH]c4c3CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093456558	958277572	/nfs/dbraw/zinc/27/75/72/958277572.db2.gz	FSMHOHVPDUQVRL-CIWUYKSXSA-N	1	0	358.486	1.664	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)c(C)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093457820	958281046	/nfs/dbraw/zinc/28/10/46/958281046.db2.gz	LGFMXPDMJWZJQV-BNDYYXHWSA-N	1	0	355.482	1.911	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)nc(OC)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093458186	958282441	/nfs/dbraw/zinc/28/24/41/958282441.db2.gz	BLFCQANAKSCTGR-PLOVASNDSA-N	1	0	371.481	1.612	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(COC)o3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093458645	958284488	/nfs/dbraw/zinc/28/44/88/958284488.db2.gz	OPKQFFJYOONOMP-CIWUYKSXSA-N	1	0	360.454	1.639	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c(C)n[nH]c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093477792	958290368	/nfs/dbraw/zinc/29/03/68/958290368.db2.gz	MVNSUGBRQAXXJM-HNBVOPMISA-N	1	0	358.486	1.168	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCN3CCCC3=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001093480527	958304009	/nfs/dbraw/zinc/30/40/09/958304009.db2.gz	LDWIHGNODQIKRU-SMOSDQRPSA-N	1	0	363.502	1.151	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCn3cc(C)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093480889	958305133	/nfs/dbraw/zinc/30/51/33/958305133.db2.gz	PWJQQBJUFKJFFI-JYBIWHBTSA-N	1	0	360.502	1.734	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)CC[NH+]2CCCCC2)C[C@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001093481491	958307460	/nfs/dbraw/zinc/30/74/60/958307460.db2.gz	XEYDYKNVOZNXCI-JYBIWHBTSA-N	1	0	362.518	1.352	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3cccc(F)c3)C[C@H]2C)C1=O	ZINC001093619607	958349176	/nfs/dbraw/zinc/34/91/76/958349176.db2.gz	QTWXPDBLPFIWJX-KYJSFNMBSA-N	1	0	359.445	1.910	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@@H]1C[N@@H+](CCCCCF)C[C@H]1O	ZINC001197658195	972339918	/nfs/dbraw/zinc/33/99/18/972339918.db2.gz	NVAGUFLGXFXNLP-HUUCEWRRSA-N	1	0	351.422	1.561	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001093623040	958358118	/nfs/dbraw/zinc/35/81/18/958358118.db2.gz	MKMDJSFCTGKDNI-IUODEOHRSA-N	1	0	369.400	1.691	20	30		FDEDRO
CC(C)n1ncnc1C[NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC001093699656	958565244	/nfs/dbraw/zinc/56/52/44/958565244.db2.gz	FJJZXINUYCEMJT-UKRRQHHQSA-N	1	0	355.446	1.557	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1ncc(Cl)n1C	ZINC001093699865	958566418	/nfs/dbraw/zinc/56/64/18/958566418.db2.gz	MLFLVZBYAUBSBB-DGCLKSJQSA-N	1	0	360.849	1.771	20	30		FDEDRO
CCn1c(C)nnc1C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC001093726014	958610428	/nfs/dbraw/zinc/61/04/28/958610428.db2.gz	NUXVSBSJAOLBMF-IUODEOHRSA-N	1	0	355.446	1.304	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001093755184	958684168	/nfs/dbraw/zinc/68/41/68/958684168.db2.gz	XXTUDOGCNFKHJT-IUODEOHRSA-N	1	0	356.405	1.324	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)cc3F)[C@H](C)C2)[nH]1	ZINC001093760648	958698883	/nfs/dbraw/zinc/69/88/83/958698883.db2.gz	VJINXOOBNAAAMH-MLGOLLRUSA-N	1	0	370.432	1.551	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@]34C[C@H]3COC4)C[C@H]2C)cc1C#N	ZINC001093782566	958766790	/nfs/dbraw/zinc/76/67/90/958766790.db2.gz	MJOIMUKPEKOXDE-XXLATIFVSA-N	1	0	369.465	1.787	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@H]21	ZINC000962025080	1013183603	/nfs/dbraw/zinc/18/36/03/1013183603.db2.gz	SSOXAHJRJVGDAT-OMZCGLGVSA-N	1	0	356.466	1.707	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nc(C3CC3)no2)[C@H](C)C1	ZINC001093832857	958925987	/nfs/dbraw/zinc/92/59/87/958925987.db2.gz	DBUUXIYGQDECOE-OIISXLGYSA-N	1	0	371.485	1.229	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(c3ccccc3F)CCC2)C1	ZINC001197723847	972393091	/nfs/dbraw/zinc/39/30/91/972393091.db2.gz	KWBWSHFACHWOHY-QZTJIDSGSA-N	1	0	362.445	1.611	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CCc3cccnc3)C[C@H]2C)C1=O	ZINC001093897050	959259838	/nfs/dbraw/zinc/25/98/38/959259838.db2.gz	NZKLPHDNIPFBHJ-QRQLOZEOSA-N	1	0	370.497	1.485	20	30		FDEDRO
COc1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ccccc3C#N)[C@H](C)C2)nn1C	ZINC001093905938	959292551	/nfs/dbraw/zinc/29/25/51/959292551.db2.gz	BKJZNXCXOGMDCP-RHSMWYFYSA-N	1	0	367.453	1.798	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001093964101	959372288	/nfs/dbraw/zinc/37/22/88/959372288.db2.gz	JLWCGQNBDWJWLC-WQVCFCJDSA-N	1	0	358.417	1.018	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)c3nncn3C)[C@H](C)C2)c1	ZINC001094027729	959548288	/nfs/dbraw/zinc/54/82/88/959548288.db2.gz	CQGJTVNSLJORHK-JKIFEVAISA-N	1	0	352.442	1.250	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2C(C)C)[C@H](C)C1	ZINC001094054993	959642705	/nfs/dbraw/zinc/64/27/05/959642705.db2.gz	ANJRFMBXILMLIT-VQHPVUNQSA-N	1	0	361.490	1.634	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001094075008	959702452	/nfs/dbraw/zinc/70/24/52/959702452.db2.gz	UVGXWSSWVQVZLD-CZUORRHYSA-N	1	0	355.417	1.847	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3coc(C)n3)[C@H](C)C2)nn1	ZINC001094099646	959782023	/nfs/dbraw/zinc/78/20/23/959782023.db2.gz	IZIIKVZIENMFLX-UKRRQHHQSA-N	1	0	358.446	1.649	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C[NH2+]Cc2cnon2)[C@H](C)C1	ZINC001094158960	959929679	/nfs/dbraw/zinc/92/96/79/959929679.db2.gz	QPXUBPXBYSREKT-ZIAGYGMSSA-N	1	0	357.414	1.527	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]Cc2csnn2)[C@H](C)C1	ZINC001094174033	959974899	/nfs/dbraw/zinc/97/48/99/959974899.db2.gz	NZDYCXSMIANKEI-ZIAGYGMSSA-N	1	0	371.466	1.443	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)[nH]2)[C@H](C)C1	ZINC001094174158	959975996	/nfs/dbraw/zinc/97/59/96/959975996.db2.gz	VUSRFYDZSGTFIW-UKRRQHHQSA-N	1	0	368.441	1.018	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]Cc2ccon2)[C@H](C)C1	ZINC001094174107	959976086	/nfs/dbraw/zinc/97/60/86/959976086.db2.gz	SOLRUYUGBBPQNK-HUUCEWRRSA-N	1	0	354.410	1.580	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](C)c3csnn3)[C@H](C)C2)nc1	ZINC001094174297	959977160	/nfs/dbraw/zinc/97/71/60/959977160.db2.gz	DREYHYARLKGQKB-UMVBOHGHSA-N	1	0	355.467	1.973	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cc4n(n3)CCC4)[C@H](C)C2)nc1	ZINC001094174673	959978412	/nfs/dbraw/zinc/97/84/12/959978412.db2.gz	OHFPXNGCGNAXGI-NVXWUHKLSA-N	1	0	363.465	1.704	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cn(C(C)C)nn3)[C@H](C)C2)cn1	ZINC001094174515	959978578	/nfs/dbraw/zinc/97/85/78/959978578.db2.gz	MBASNXIKDFKJHR-NVXWUHKLSA-N	1	0	366.469	1.733	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cn3cncn3)C[C@H]2C)cc1C#N	ZINC001094206724	960004530	/nfs/dbraw/zinc/00/45/30/960004530.db2.gz	UZBMADJHYKLJGW-RHSMWYFYSA-N	1	0	368.441	1.043	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)C2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001094244543	960174171	/nfs/dbraw/zinc/17/41/71/960174171.db2.gz	XVWFAFPKTKHUJT-ATZDWAIDSA-N	1	0	368.481	1.611	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2C[C@@H](C[NH2+][C@H]3CCNC3=O)[C@H](C)C2)cc1	ZINC001094245243	960175550	/nfs/dbraw/zinc/17/55/50/960175550.db2.gz	GEMGFEUEYMXUOF-SUMDDJOVSA-N	1	0	371.481	1.367	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001094253915	960196766	/nfs/dbraw/zinc/19/67/66/960196766.db2.gz	KRTWKTHNWWAUEB-RHSMWYFYSA-N	1	0	355.417	1.778	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1)N1CCOCC1	ZINC001094260175	960204692	/nfs/dbraw/zinc/20/46/92/960204692.db2.gz	AYFBROLHXCWRJD-FUHIMQAGSA-N	1	0	370.497	1.463	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3nonc3C)C[C@H]2C)cc1C#N	ZINC001094256436	960230531	/nfs/dbraw/zinc/23/05/31/960230531.db2.gz	ROWFMSXYKKABHL-MLGOLLRUSA-N	1	0	369.425	1.756	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3ncon3)cc2)C1	ZINC001197859930	972493233	/nfs/dbraw/zinc/49/32/33/972493233.db2.gz	UDZWBKIYGKRQCV-KBRIMQKVSA-N	1	0	356.426	1.866	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCN2CCCC2=O)CC3)c1	ZINC001094389054	960333643	/nfs/dbraw/zinc/33/36/43/960333643.db2.gz	RJLYUEDFBZZANH-YLJYHZDGSA-N	1	0	369.469	1.483	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CNC(=O)c4ccccc43)CCC[C@@H]12	ZINC001094433714	960447622	/nfs/dbraw/zinc/44/76/22/960447622.db2.gz	ZKZLEIGKIWZSFS-NNMXDRDESA-N	1	0	365.477	1.898	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCn1cncn1)CC2	ZINC001094433990	960450538	/nfs/dbraw/zinc/45/05/38/960450538.db2.gz	MKWPAIVVUCCECF-UYAOXDASSA-N	1	0	368.485	1.940	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCS(=O)(=O)C3)CCC[C@@H]12	ZINC001094463161	960459194	/nfs/dbraw/zinc/45/91/94/960459194.db2.gz	HPWMBCVQYJACDF-JFIYKMOQSA-N	1	0	354.516	1.748	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+](C[C@H](C)CC(C)C)C[C@H]1O	ZINC001197902945	972506466	/nfs/dbraw/zinc/50/64/66/972506466.db2.gz	AIIQMUFVMSSEFW-KBAYOESNSA-N	1	0	359.470	1.551	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@H]4CCNC4=O)CCC[C@@H]23)c1	ZINC001094488089	960580041	/nfs/dbraw/zinc/58/00/41/960580041.db2.gz	MLCLNYMXBZCYHG-WAOWUJCRSA-N	1	0	366.465	1.555	20	30		FDEDRO
C#C[C@H]([NH2+][C@@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCCO1	ZINC000775793035	972515973	/nfs/dbraw/zinc/51/59/73/972515973.db2.gz	IZXKEOHEGPZASD-SNRMKQJTSA-N	1	0	359.445	1.633	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)C3CCN(CC(F)F)CC3)CCC[C@@H]12	ZINC001094497536	960613302	/nfs/dbraw/zinc/61/33/02/960613302.db2.gz	CEJCLNYZVGNPCG-VQIMIIECSA-N	1	0	353.457	1.958	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4nncn4CC3)CCC[C@@H]12	ZINC001094471240	960638049	/nfs/dbraw/zinc/63/80/49/960638049.db2.gz	MWMFMQUYJSQNPQ-MBOZVWFJSA-N	1	0	355.486	1.615	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3COCCN3CC(F)F)CCC[C@@H]12	ZINC001094477331	960647454	/nfs/dbraw/zinc/64/74/54/960647454.db2.gz	BJGPRFCZQYTRPA-IIDMSEBBSA-N	1	0	357.445	1.499	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4c(c3)c(C)nn4C)CCC[C@@H]12	ZINC001094481736	960663116	/nfs/dbraw/zinc/66/31/16/960663116.db2.gz	DDHBWBCZEAFERN-YLJYHZDGSA-N	1	0	351.454	1.884	20	30		FDEDRO
C#C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C)[C@H]1CCCO1	ZINC000773298041	960790643	/nfs/dbraw/zinc/79/06/43/960790643.db2.gz	KXERGYUCQVTORB-WNRNVDISSA-N	1	0	351.491	1.603	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCn2cccn2)CC3)cn1	ZINC001094560770	960811847	/nfs/dbraw/zinc/81/18/47/960811847.db2.gz	XITQARXAYCKHJM-TZIWHRDSSA-N	1	0	363.465	1.934	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCn2cccn2)CC3)nc1	ZINC001094563397	960817985	/nfs/dbraw/zinc/81/79/85/960817985.db2.gz	TYXRJXVVFLHFFW-TZIWHRDSSA-N	1	0	363.465	1.934	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccccc3-n3cnnn3)CCC[C@@H]12	ZINC001094575888	960859262	/nfs/dbraw/zinc/85/92/62/960859262.db2.gz	JUSFILJCMMQWLP-UYAOXDASSA-N	1	0	364.453	1.660	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2N(Cc2cnon2)CC3)CC1	ZINC001094582367	960882629	/nfs/dbraw/zinc/88/26/29/960882629.db2.gz	NGZDFOJSCMGCOJ-UYAOXDASSA-N	1	0	371.485	1.276	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)C[C@@H]2C[C@H]2C2CC2)CC1	ZINC000954044612	1013219116	/nfs/dbraw/zinc/21/91/16/1013219116.db2.gz	JGMUMRPVUXYCFR-IHPCNDPISA-N	1	0	371.525	1.970	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H](C)[C@H]2CCCN(C(=O)OC)C2)CC1	ZINC000773315055	961072659	/nfs/dbraw/zinc/07/26/59/961072659.db2.gz	OEBUZUUFTRCJMK-CABCVRRESA-N	1	0	352.479	1.803	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)CC1	ZINC001181769039	961091146	/nfs/dbraw/zinc/09/11/46/961091146.db2.gz	FJZFJSKHUVDSOT-CVEARBPZSA-N	1	0	367.465	1.795	20	30		FDEDRO
C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)C1	ZINC001171721507	961268514	/nfs/dbraw/zinc/26/85/14/961268514.db2.gz	RAPGBIMMTWZLKH-KGLIPLIRSA-N	1	0	367.446	1.899	20	30		FDEDRO
C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@@H+]([C@H]1CCN3C(=O)CC[C@@H]3C1)C2	ZINC001172168081	961524891	/nfs/dbraw/zinc/52/48/91/961524891.db2.gz	BAMHXBUPDKSEDM-WAOWUJCRSA-N	1	0	374.529	1.323	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2nnc(Cn3cccn3)n2CC1	ZINC001172308765	961618033	/nfs/dbraw/zinc/61/80/33/961618033.db2.gz	ZTARMNYJTFEFIQ-INIZCTEOSA-N	1	0	361.453	1.884	20	30		FDEDRO
C[C@H](CCCC#N)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1	ZINC001172493774	961685685	/nfs/dbraw/zinc/68/56/85/961685685.db2.gz	CSTYBWRHGIZUCP-AEFFLSMTSA-N	1	0	360.506	1.909	20	30		FDEDRO
CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@H](C)CCCC#N)C(N)=O	ZINC001172491337	961685969	/nfs/dbraw/zinc/68/59/69/961685969.db2.gz	MWPKIXSRVKWLEX-OLMNPRSZSA-N	1	0	374.485	1.601	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(N(C)C(=O)C23CC[NH+](CC2)C3)CC1	ZINC000954096359	1013278448	/nfs/dbraw/zinc/27/84/48/1013278448.db2.gz	PEPLGKMJAVTLOA-SJORKVTESA-N	1	0	361.486	1.123	20	30		FDEDRO
COc1cccc2c1C[C@H](NC(=[NH2+])c1ccc(S(C)(=O)=O)cc1)CO2	ZINC001173158365	961943992	/nfs/dbraw/zinc/94/39/92/961943992.db2.gz	DNEHXQJJFGEXGJ-ZDUSSCGKSA-N	1	0	360.435	1.808	20	30		FDEDRO
C=CCOC1CCC([NH+]2CCC3(C[C@H](OCC(=O)NC)CO3)CC2)CC1	ZINC001173324838	962005869	/nfs/dbraw/zinc/00/58/69/962005869.db2.gz	WBFOWTQYYAZTEE-ABHNRTSZSA-N	1	0	366.502	1.886	20	30		FDEDRO
CN(C)C(=O)Cn1c(=O)ccc2c1CC[N@@H+](C1CCC(CC#N)CC1)CC2	ZINC001173335328	962009203	/nfs/dbraw/zinc/00/92/03/962009203.db2.gz	HWSSZGAFBAEYND-UHFFFAOYSA-N	1	0	370.497	1.810	20	30		FDEDRO
N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cc1ccccc1	ZINC001110300793	962063289	/nfs/dbraw/zinc/06/32/89/962063289.db2.gz	MXVIVJVEABABRK-XDNAFOTISA-N	1	0	359.495	1.568	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+]CCN3CCCCC3=O)CC2)cc1	ZINC001173421554	962118307	/nfs/dbraw/zinc/11/83/07/962118307.db2.gz	WWJLXDCBGNWPFV-UHFFFAOYSA-N	1	0	354.454	1.765	20	30		FDEDRO
Cn1nnc2cc(C[N@@H+]3[C@@H]4CC[C@H]3[C@H](NC(=O)CSCC#N)C4)ccc21	ZINC001110305478	962123272	/nfs/dbraw/zinc/12/32/72/962123272.db2.gz	XMPJQNCVHMJZBK-CPUCHLNUSA-N	1	0	370.482	1.447	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+][C@H]3COCCC34OCCO4)CC2)cc1	ZINC001173426418	962136379	/nfs/dbraw/zinc/13/63/79/962136379.db2.gz	YNNHFNJIGVQKFP-SFHVURJKSA-N	1	0	371.437	1.284	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+][C@H]3CCN(C(=O)C4CC4)C3)CC2)cc1	ZINC001173428758	962143962	/nfs/dbraw/zinc/14/39/62/962143962.db2.gz	UTFNJSDJWZVMPJ-IBGZPJMESA-N	1	0	366.465	1.763	20	30		FDEDRO
C[C@@]1(CO)C[N@@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC[C@H]1O	ZINC001173430762	962147902	/nfs/dbraw/zinc/14/79/02/962147902.db2.gz	YPINIKYZFPDSNF-QUCCMNQESA-N	1	0	357.454	1.228	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1C	ZINC001182598562	962353403	/nfs/dbraw/zinc/35/34/03/962353403.db2.gz	GPVPNSVAQSBAIS-MJXUCMMTSA-N	1	0	371.909	1.449	20	30		FDEDRO
COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCCN(O)C2=O)c(OC)c1	ZINC001182674226	962384309	/nfs/dbraw/zinc/38/43/09/962384309.db2.gz	DIWCHZQFBXTDFD-BXUZGUMPSA-N	1	0	351.403	1.391	20	30		FDEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@H](C)c1ccc(C#N)cc1)CC2	ZINC001182791100	962520557	/nfs/dbraw/zinc/52/05/57/962520557.db2.gz	CTOLCKVPYGKHSM-MRXNPFEDSA-N	1	0	368.481	1.865	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2cn(C)nn2)C1	ZINC001182869857	962615069	/nfs/dbraw/zinc/61/50/69/962615069.db2.gz	YBSGAWCFCVPVOX-QSOKESPWSA-N	1	0	361.490	1.371	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CC[C@@]2(CC(=O)N(c3cnn(C)c3)C2)C1	ZINC001183043182	962754361	/nfs/dbraw/zinc/75/43/61/962754361.db2.gz	MATJQAJESAUINO-LJQANCHMSA-N	1	0	357.458	1.028	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N[C@H]1CCc2c(ccc(=O)n2CCOC)C1	ZINC001183079884	962779777	/nfs/dbraw/zinc/77/97/77/962779777.db2.gz	FYDQEZRJPXPIJZ-KRWDZBQOSA-N	1	0	359.470	1.120	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@](C)(NC(=O)[C@@H]3C[C@H]3CCC)C2)CC1	ZINC000957523856	1013372076	/nfs/dbraw/zinc/37/20/76/1013372076.db2.gz	OUPAHRUFQCDOFL-OPYAIIAOSA-N	1	0	359.514	1.875	20	30		FDEDRO
O=C(CNC(=O)C1CC1)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#Cc1ccccc1	ZINC001110326638	962850555	/nfs/dbraw/zinc/85/05/55/962850555.db2.gz	CNJJSAUWPMSFIV-QRVBRYPASA-N	1	0	351.450	1.286	20	30		FDEDRO
C#C[C@H](NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@@H]1CCCO1	ZINC000773435032	962995428	/nfs/dbraw/zinc/99/54/28/962995428.db2.gz	GUVATGILZZKSPY-QYZOEREBSA-N	1	0	357.454	1.233	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2C[C@H]2c2ccc(OC)cc2)C1	ZINC001183378209	963025252	/nfs/dbraw/zinc/02/52/52/963025252.db2.gz	QDBCTVABPMQZEC-SCTDSRPQSA-N	1	0	371.481	1.682	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCCCCC1	ZINC001110182957	963096475	/nfs/dbraw/zinc/09/64/75/963096475.db2.gz	GJAOELKBOYPREB-MHORFTMASA-N	1	0	363.502	1.702	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C(=O)NC)cc1	ZINC001110183153	963099922	/nfs/dbraw/zinc/09/99/22/963099922.db2.gz	LOFRSMBJZYRHBJ-VLQPXKRTSA-N	1	0	371.481	1.859	20	30		FDEDRO
C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1	ZINC001175237895	963105650	/nfs/dbraw/zinc/10/56/50/963105650.db2.gz	TZYIQFFISBVJSM-BBWFWOEESA-N	1	0	369.506	1.089	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@@H]3CCN(c4cc[nH+]cc4)C3)C2)nc1	ZINC001183611692	963143607	/nfs/dbraw/zinc/14/36/07/963143607.db2.gz	OQIJUWLOYLUZAR-SJLPKXTDSA-N	1	0	363.421	1.854	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1OCC[C@H]1C	ZINC001175334714	963154687	/nfs/dbraw/zinc/15/46/87/963154687.db2.gz	RVYYZLRZACUXNY-RYRKJORJSA-N	1	0	366.506	1.438	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)N(C)C1CC1	ZINC001175653851	963246151	/nfs/dbraw/zinc/24/61/51/963246151.db2.gz	JZMDSJODRJSSNX-IEZWGBDMSA-N	1	0	365.518	1.853	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1)[C@H]1CCCO1	ZINC000773561280	963404872	/nfs/dbraw/zinc/40/48/72/963404872.db2.gz	UPXRGMBCAZCGLU-RTBURBONSA-N	1	0	362.518	1.367	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1C[C@H](CO)[C@H](CCO)C1	ZINC001176959247	963617523	/nfs/dbraw/zinc/61/75/23/963617523.db2.gz	KYEKBRGCWQVDAW-BZUAXINKSA-N	1	0	363.433	1.384	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)NCc1cc(C#N)ccc1F)c1ccccc1	ZINC000774778750	963710469	/nfs/dbraw/zinc/71/04/69/963710469.db2.gz	FAJIEOPNBDXHJN-SFHVURJKSA-N	1	0	368.412	1.733	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1=O	ZINC001177224047	963724809	/nfs/dbraw/zinc/72/48/09/963724809.db2.gz	OXJCNOGBWSDRMQ-KSZLIROESA-N	1	0	359.445	1.812	20	30		FDEDRO
C=CCCc1ccc(C(=O)N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)c(=O)[nH]1	ZINC001185352252	963911315	/nfs/dbraw/zinc/91/13/15/963911315.db2.gz	HQGJKHIQRUZWJT-OAHLLOKOSA-N	1	0	369.469	1.936	20	30		FDEDRO
N#Cc1cc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1	ZINC001177708335	963945044	/nfs/dbraw/zinc/94/50/44/963945044.db2.gz	ZABFOJRYGBJMKX-UHFFFAOYSA-N	1	0	366.424	1.596	20	30		FDEDRO
C=CCC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)nn1	ZINC001186008282	964250946	/nfs/dbraw/zinc/25/09/46/964250946.db2.gz	RJHQZWXECKTYJG-MLHJIOFPSA-N	1	0	359.474	1.675	20	30		FDEDRO
C#CCC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3CCO[C@H]3C=C)C2)nn1	ZINC001186008255	964251488	/nfs/dbraw/zinc/25/14/88/964251488.db2.gz	QPXTXDAWSVNNMX-KURKYZTESA-N	1	0	357.458	1.146	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CNC(N)=O)C1	ZINC001186172446	964356455	/nfs/dbraw/zinc/35/64/55/964356455.db2.gz	WTQWZFBQFVJBGC-NVXWUHKLSA-N	1	0	362.449	1.592	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(C)(C)CC)C1	ZINC001186213456	964379153	/nfs/dbraw/zinc/37/91/53/964379153.db2.gz	IYPQVROIHCSZNH-RYRKJORJSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCCCS(N)(=O)=O)C2	ZINC001110223528	964391046	/nfs/dbraw/zinc/39/10/46/964391046.db2.gz	RDZISANWWZCHRK-PMPSAXMXSA-N	1	0	357.520	1.523	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(OC(C)C)c(OC)c2)CC1	ZINC000775016535	964479214	/nfs/dbraw/zinc/47/92/14/964479214.db2.gz	LUFXWVSHOJHGHT-KRWDZBQOSA-N	1	0	373.497	1.910	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)Cn3cncc3C)C2)cc1	ZINC000957569607	1013506148	/nfs/dbraw/zinc/50/61/48/1013506148.db2.gz	PDGSUYXNEJPXKO-RDTXWAMCSA-N	1	0	350.422	1.450	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2CC)CC12CCOCC2	ZINC001186495132	964524297	/nfs/dbraw/zinc/52/42/97/964524297.db2.gz	YJUHBUNTLMLHJH-BRWVUGGUSA-N	1	0	363.502	1.180	20	30		FDEDRO
C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC([NH2+][C@@H]2CCOC2)C1	ZINC001179008626	964623134	/nfs/dbraw/zinc/62/31/34/964623134.db2.gz	OSHBGWSTMWEPLN-GDBMZVCRSA-N	1	0	367.490	1.825	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1CCCO1	ZINC000773790789	964680698	/nfs/dbraw/zinc/68/06/98/964680698.db2.gz	RGUPHGWZRHBCGB-OALUTQOASA-N	1	0	369.465	1.560	20	30		FDEDRO
N#CCSCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)C3CCCCC3)C[C@H]21	ZINC001186917403	964876087	/nfs/dbraw/zinc/87/60/87/964876087.db2.gz	NJGKTABZEROKCO-BBWFWOEESA-N	1	0	351.516	1.717	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCCOCC)[C@@H]2C1	ZINC001186983904	964894646	/nfs/dbraw/zinc/89/46/46/964894646.db2.gz	ADMPJOFFDGAXPI-ZWKOTPCHSA-N	1	0	363.502	1.536	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	ZINC001179654266	964935280	/nfs/dbraw/zinc/93/52/80/964935280.db2.gz	IGGRJTKGGTVHHQ-VQHPVUNQSA-N	1	0	351.491	1.511	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1nc(CC)no1	ZINC001179638485	964942255	/nfs/dbraw/zinc/94/22/55/964942255.db2.gz	REYPEGPRXRMARX-CABCVRRESA-N	1	0	350.463	1.989	20	30		FDEDRO
COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C	ZINC001179686154	964943864	/nfs/dbraw/zinc/94/38/64/964943864.db2.gz	XNTVSRHHNOREJU-LLLHUVSDSA-N	1	0	370.453	1.017	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCC12OCCO2	ZINC000773823919	964974064	/nfs/dbraw/zinc/97/40/64/964974064.db2.gz	LATXBJYHSYXFCK-GOSISDBHSA-N	1	0	357.454	1.992	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)COC(C)C)[C@@H]2C1	ZINC001187159613	965019871	/nfs/dbraw/zinc/01/98/71/965019871.db2.gz	GDIICYCLEUVXNY-FGTMMUONSA-N	1	0	365.518	1.757	20	30		FDEDRO
C#CC1(O)CN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1	ZINC001179982157	965051965	/nfs/dbraw/zinc/05/19/65/965051965.db2.gz	DWUFGBLZDQUFEJ-QGZVFWFLSA-N	1	0	352.356	1.648	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc2c(c1)nnn2C	ZINC001110391373	965082559	/nfs/dbraw/zinc/08/25/59/965082559.db2.gz	JYBKTLROIJSGRV-RKVPGOIHSA-N	1	0	355.442	1.392	20	30		FDEDRO
C=CCCC(=O)N1CC[C@H]2C[N@H+](CCN3C(=O)c4ccccc4C3=O)C[C@H]21	ZINC001187239379	965113167	/nfs/dbraw/zinc/11/31/67/965113167.db2.gz	AOCCLUHPXZAAAG-MAUKXSAKSA-N	1	0	367.449	1.782	20	30		FDEDRO
CCOC(=O)CCNC(=O)Nc1ccc(N2CCN(C)CC2)c(C#N)c1	ZINC001187213272	965134094	/nfs/dbraw/zinc/13/40/94/965134094.db2.gz	LQEPWKKKYREHKB-UHFFFAOYSA-N	1	0	359.430	1.385	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C(=O)N(C)C)cc3)C[C@H]21	ZINC001187325995	965191260	/nfs/dbraw/zinc/19/12/60/965191260.db2.gz	HLTLWRWWWJJSDB-RBUKOAKNSA-N	1	0	371.481	1.624	20	30		FDEDRO
COCCOCC(=O)N1CC[C@H]2CN(Cc3ccc(C#N)c(F)c3)C[C@H]21	ZINC001187343328	965267588	/nfs/dbraw/zinc/26/75/88/965267588.db2.gz	FVCZIQYFAALAEX-FUHWJXTLSA-N	1	0	361.417	1.393	20	30		FDEDRO
COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)Nc1cccc(C#N)n1	ZINC001180405914	965309567	/nfs/dbraw/zinc/30/95/67/965309567.db2.gz	ULPDCAFELXFYOD-DLBZAZTESA-N	1	0	364.405	1.813	20	30		FDEDRO
CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1	ZINC001187466293	965381893	/nfs/dbraw/zinc/38/18/93/965381893.db2.gz	XGDDGBNMWGBOEJ-UKPHBRMFSA-N	1	0	357.458	1.288	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CCCCCn4cncn4)C[C@H]32)[nH]1	ZINC001187545970	965485560	/nfs/dbraw/zinc/48/55/60/965485560.db2.gz	BAFBWPKAGQUHND-MAUKXSAKSA-N	1	0	367.457	1.495	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc4cc[nH]c4c3)C[C@H]21	ZINC001187591123	965509801	/nfs/dbraw/zinc/50/98/01/965509801.db2.gz	BTSIJSMMHLRWCL-PKOBYXMFSA-N	1	0	364.449	1.340	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(CC)c3)C[C@H]21	ZINC001187597731	965517373	/nfs/dbraw/zinc/51/73/73/965517373.db2.gz	BDIIDJUILYPWLP-RBUKOAKNSA-N	1	0	353.466	1.421	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCCc4ccccc43)C[C@H]21	ZINC001187597760	965517495	/nfs/dbraw/zinc/51/74/95/965517495.db2.gz	CMRCZYPPXMCDFP-DFQSSKMNSA-N	1	0	365.477	1.736	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@H](CC(=O)N[C@H]1CC[NH2+]C1)Cc1ccccc1C#N	ZINC001180721764	965544954	/nfs/dbraw/zinc/54/49/54/965544954.db2.gz	YWCRYLWPKYCXNI-IRXDYDNUSA-N	1	0	372.469	1.862	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@H+](CCCc3ccsc3)C[C@H]21	ZINC001187605560	965555399	/nfs/dbraw/zinc/55/53/99/965555399.db2.gz	LBLVXBWJRIQDBE-DLBZAZTESA-N	1	0	359.495	1.353	20	30		FDEDRO
C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC2)CC1	ZINC000957603051	1013586632	/nfs/dbraw/zinc/58/66/32/1013586632.db2.gz	MMBPTGHWVUBGTN-LSDHHAIUSA-N	1	0	369.893	1.476	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@H]2C[N@H+](Cc3cc(=O)[nH]c(C4CC4)n3)C[C@H]21	ZINC001187737183	965692577	/nfs/dbraw/zinc/69/25/77/965692577.db2.gz	UMFBDQMUGNGKKS-DOTOQJQBSA-N	1	0	354.454	1.896	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C(N)=O)cc3)C[C@H]21	ZINC001187755533	965719431	/nfs/dbraw/zinc/71/94/31/965719431.db2.gz	OBFCVJJLAZEMIY-SQGPQFPESA-N	1	0	357.454	1.145	20	30		FDEDRO
CC(C)C#CC(=O)N1CC[C@H]2C[N@H+](CCc3nnn(C(C)(C)C)n3)C[C@H]21	ZINC001187841387	965783493	/nfs/dbraw/zinc/78/34/93/965783493.db2.gz	YLJBETCMAKTWOC-JKSUJKDBSA-N	1	0	358.490	1.163	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Oc3ccccc3F)[C@@H]2C1	ZINC001187984113	965940786	/nfs/dbraw/zinc/94/07/86/965940786.db2.gz	GUKSFQRMMLAIPJ-SOLBZPMBSA-N	1	0	360.429	1.776	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1C[C@@H]2CCN(C(=O)c3ccns3)[C@@H]2C1	ZINC001188074426	965991974	/nfs/dbraw/zinc/99/19/74/965991974.db2.gz	BMVWMRVOVMDBQL-LSDHHAIUSA-N	1	0	362.499	1.714	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3nc(C)[nH]c3C2)C1	ZINC000957618061	1013623679	/nfs/dbraw/zinc/62/36/79/1013623679.db2.gz	DRXYBIKAXCJDJM-SUYBPPKGSA-N	1	0	358.486	1.998	20	30		FDEDRO
C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3oc(C(F)F)cc3C)[C@@H]2C1	ZINC001188255327	966158223	/nfs/dbraw/zinc/15/82/23/966158223.db2.gz	HZWXBVHQZJIHFH-QWHCGFSZSA-N	1	0	365.380	1.421	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c(C)nn(C)c3Cl)[C@@H]2C1	ZINC001188456039	966328179	/nfs/dbraw/zinc/32/81/79/966328179.db2.gz	JMXVTNUCGCMTKR-GOEBONIOSA-N	1	0	366.893	1.660	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(c3)N(C)C(=O)C4)[C@@H]2C1	ZINC001188463389	966333203	/nfs/dbraw/zinc/33/32/03/966333203.db2.gz	BKQXJLCUCNUUOX-PKOBYXMFSA-N	1	0	367.449	1.002	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3nnc4ccccc4n3)[C@@H]2C1	ZINC001188568994	966401403	/nfs/dbraw/zinc/40/14/03/966401403.db2.gz	WJYGOYPTBMDHAC-WMLDXEAASA-N	1	0	353.426	1.374	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCCn3cnc(COCC[NH+](C)C)c3C2)cc1	ZINC001188729234	966540423	/nfs/dbraw/zinc/54/04/23/966540423.db2.gz	YHSBTVJHPOFOKQ-UHFFFAOYSA-N	1	0	366.465	1.989	20	30		FDEDRO
CC#CCCCC(=O)N1CC[C@H]2C[N@H+](C[C@@H](O)COCC(C)C)C[C@H]21	ZINC001188867615	966607500	/nfs/dbraw/zinc/60/75/00/966607500.db2.gz	XZAWBPDANYOBOY-IPMKNSEASA-N	1	0	350.503	1.746	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)N(C)CC(F)(F)F)[C@@H]2C1	ZINC001188932550	966653929	/nfs/dbraw/zinc/65/39/29/966653929.db2.gz	ZGMSFANTSRXNRA-SOUVJXGZSA-N	1	0	361.408	1.052	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccnc4c3nnn4C)[C@@H]2C1	ZINC001188941963	966657845	/nfs/dbraw/zinc/65/78/45/966657845.db2.gz	MSTLMTCRGFFYRX-IJEWVQPXSA-N	1	0	354.458	1.864	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N2CC[C@H]3CN(Cc4ccccc4C#N)C[C@H]32)CC1	ZINC001188962478	966673707	/nfs/dbraw/zinc/67/37/07/966673707.db2.gz	AGBIZSIPCFKWTQ-RBUKOAKNSA-N	1	0	352.482	1.933	20	30		FDEDRO
C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCCC(F)(F)C3)[C@@H]2C1	ZINC001189109564	966738578	/nfs/dbraw/zinc/73/85/78/966738578.db2.gz	AETOYIQCJYRTQC-QLFBSQMISA-N	1	0	353.413	1.094	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3cn(C)nc3Cl)[C@@H]2C1	ZINC001189118305	966747084	/nfs/dbraw/zinc/74/70/84/966747084.db2.gz	UXHZTZILJHXOAE-DZGCQCFKSA-N	1	0	352.866	1.351	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(F)c(COC)c3)[C@@H]2C1	ZINC001189077716	966754388	/nfs/dbraw/zinc/75/43/88/966754388.db2.gz	WVGKWEODEOTROB-QFBILLFUSA-N	1	0	360.429	1.768	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cn(CCC(C)C)nn3)[C@@H]2C1	ZINC001189101773	966774228	/nfs/dbraw/zinc/77/42/28/966774228.db2.gz	NHLVWAFULWTPOR-FUHWJXTLSA-N	1	0	361.490	1.673	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCCCN3C(C)=O)[C@@H]2C1	ZINC001189413703	966961036	/nfs/dbraw/zinc/96/10/36/966961036.db2.gz	GREZKWLILHTHMW-GBESFXJTSA-N	1	0	363.502	1.513	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(-n4cccn4)c3)[C@@H]2C1	ZINC001189425411	966970139	/nfs/dbraw/zinc/97/01/39/966970139.db2.gz	NPEVSTLWTPYJJL-AZUAARDMSA-N	1	0	364.449	1.668	20	30		FDEDRO
C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)C[N@@H+](C)CCCCCC)[C@@H]2C1	ZINC001189453653	967001740	/nfs/dbraw/zinc/00/17/40/967001740.db2.gz	MANDYFQLGOINBL-ZWKOTPCHSA-N	1	0	364.534	1.333	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cnccc3=O)[C@@H]2C1	ZINC001189590918	967092431	/nfs/dbraw/zinc/09/24/31/967092431.db2.gz	UIQVZVCQNIBAGW-ZWKOTPCHSA-N	1	0	358.486	1.913	20	30		FDEDRO
CNS(=O)(=O)c1ccc(C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)cc1	ZINC000852211976	967103675	/nfs/dbraw/zinc/10/36/75/967103675.db2.gz	YFFDIRAYVLPMEZ-SFHVURJKSA-N	1	0	359.451	1.632	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CNC(=O)c3cscn3)[C@@H]2C1	ZINC001189684155	967156672	/nfs/dbraw/zinc/15/66/72/967156672.db2.gz	XEILAWMBTGJQEW-OFQRWUPVSA-N	1	0	362.499	1.760	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3OCCc4ccccc43)[C@@H]2C1	ZINC001189865313	967316245	/nfs/dbraw/zinc/31/62/45/967316245.db2.gz	LSPDUCGAZNXUHR-TYPHKJRUSA-N	1	0	368.477	1.873	20	30		FDEDRO
CCc1ccc(OCC(=O)N2CC[C@H]3C[N@H+](CC#CCOC)C[C@H]32)cc1	ZINC001190019899	967469705	/nfs/dbraw/zinc/46/97/05/967469705.db2.gz	OCBKIHVJIRWSFC-AZUAARDMSA-N	1	0	356.466	1.810	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2C(=O)CCC2=O)CCC1	ZINC001110654482	967474066	/nfs/dbraw/zinc/47/40/66/967474066.db2.gz	ROJWVXMFCGFFAI-OAGGEKHMSA-N	1	0	357.454	1.051	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)CCN1C1CC1	ZINC000852703526	967546368	/nfs/dbraw/zinc/54/63/68/967546368.db2.gz	QAFRDHMOCMESQU-RBUKOAKNSA-N	1	0	353.470	1.643	20	30		FDEDRO
Cc1c(NC(=O)C#CC2CC[NH2+]CC2)cccc1C(=O)N1CCOCC1	ZINC000852821545	967633462	/nfs/dbraw/zinc/63/34/62/967633462.db2.gz	RRBOOGLVZHKZRR-UHFFFAOYSA-N	1	0	355.438	1.409	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CCN(CCCc2ccccc2)C1=O	ZINC000852850507	967656136	/nfs/dbraw/zinc/65/61/36/967656136.db2.gz	WJXGRBRMFJRGNG-LJQANCHMSA-N	1	0	353.466	1.339	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)Nc1ccc(C(=O)NC2CCOCC2)cc1	ZINC000852850989	967656316	/nfs/dbraw/zinc/65/63/16/967656316.db2.gz	VQQULPIHKNDDSC-UHFFFAOYSA-N	1	0	355.438	1.537	20	30		FDEDRO
Cc1ccc([C@H](CN2CCOCC2)NC(=O)C#CC2CC[NH2+]CC2)cc1	ZINC000852856762	967660346	/nfs/dbraw/zinc/66/03/46/967660346.db2.gz	FHBDQWISJWSPKV-FQEVSTJZSA-N	1	0	355.482	1.488	20	30		FDEDRO
C[C@H](C(=O)Nc1ccc(NC(=O)C#CC2CC[NH2+]CC2)cc1)n1cncn1	ZINC000852859668	967665200	/nfs/dbraw/zinc/66/52/00/967665200.db2.gz	YURHWOHNASTOAS-CQSZACIVSA-N	1	0	366.425	1.419	20	30		FDEDRO
C=CC[C@]1(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCC[NH2+]1	ZINC000852860315	967666265	/nfs/dbraw/zinc/66/62/65/967666265.db2.gz	BQRJOHDZAQEKPN-LAUBAEHRSA-N	1	0	370.497	1.703	20	30		FDEDRO
C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C#CC1CC[NH2+]CC1	ZINC000852873342	967679856	/nfs/dbraw/zinc/67/98/56/967679856.db2.gz	SOOVGVQEBOWUJM-GOSISDBHSA-N	1	0	354.498	1.316	20	30		FDEDRO
N#C[C@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1	ZINC000852875607	967681541	/nfs/dbraw/zinc/68/15/41/967681541.db2.gz	KYFTWCLZDCHNAJ-ASEORRQLSA-N	1	0	365.231	1.149	20	30		FDEDRO
C=CCCCCCN1C[C@@H]2CCN(C(=O)[C@@H]3CCCS3(=O)=O)[C@@H]2C1	ZINC001190254574	967697068	/nfs/dbraw/zinc/69/70/68/967697068.db2.gz	BRSATHCPYASHOI-BBWFWOEESA-N	1	0	354.516	1.843	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3Cc4cc(C)c(C)cc4O3)[C@@H]2C1	ZINC001190263706	967702692	/nfs/dbraw/zinc/70/26/92/967702692.db2.gz	ZBKCGTKCINJNHC-FBBABVLZSA-N	1	0	368.477	1.789	20	30		FDEDRO
O=C(CC#Cc1ccccc1)N1CC[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]21	ZINC001190290641	967740806	/nfs/dbraw/zinc/74/08/06/967740806.db2.gz	OYOSKOHXUNYVKL-VQTJNVASSA-N	1	0	365.477	1.487	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)COc3cccc(C(N)=O)c3)[C@@H]2C1	ZINC001190325097	967752153	/nfs/dbraw/zinc/75/21/53/967752153.db2.gz	QNWTVBPIRZDUSO-FUHWJXTLSA-N	1	0	357.454	1.663	20	30		FDEDRO
CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F	ZINC000853080635	967815095	/nfs/dbraw/zinc/81/50/95/967815095.db2.gz	ARUKJJODQMVJGK-GSVOUGTGSA-N	1	0	372.237	1.892	20	30		FDEDRO
C#C[C@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)C1CCOCC1	ZINC000853116449	967841330	/nfs/dbraw/zinc/84/13/30/967841330.db2.gz	JTTUDNVPEGCZTR-AEFFLSMTSA-N	1	0	358.438	1.329	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(-n4ccnn4)c3)[C@@H]2C1	ZINC001190496215	967930681	/nfs/dbraw/zinc/93/06/81/967930681.db2.gz	ZLXHDGGWOBILTH-PKOBYXMFSA-N	1	0	367.453	1.616	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N[C@@H](C)CC	ZINC001110666266	968006646	/nfs/dbraw/zinc/00/66/46/968006646.db2.gz	FNHVMWAWZSYZSC-HZMVEIRTSA-N	1	0	358.486	1.924	20	30		FDEDRO
C=CCN(CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O)[C@H](C)COC	ZINC000853533924	968090339	/nfs/dbraw/zinc/09/03/39/968090339.db2.gz	DUPVLDWMDJSRCC-QRQLOZEOSA-N	1	0	371.481	1.584	20	30		FDEDRO
C=CC[C@@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(CCC(=O)OCC)C2=O)C1	ZINC000853537115	968093187	/nfs/dbraw/zinc/09/31/87/968093187.db2.gz	PGJANRQTSGJWND-KDOFPFPSSA-N	1	0	351.447	1.886	20	30		FDEDRO
C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC001190922400	968167149	/nfs/dbraw/zinc/16/71/49/968167149.db2.gz	QGPMQOVQEXSSGN-MCIONIFRSA-N	1	0	350.381	1.832	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1	ZINC000853652190	968226422	/nfs/dbraw/zinc/22/64/22/968226422.db2.gz	DAGBWVZPQFWBGA-KRWDZBQOSA-N	1	0	358.442	1.330	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000853739047	968282742	/nfs/dbraw/zinc/28/27/42/968282742.db2.gz	ATMVVJRALLBAJZ-GOSISDBHSA-N	1	0	359.470	1.951	20	30		FDEDRO
C#CCNc1nc(N[C@@H]2COC(C)(C)C2)nc(N[C@@H]2COC(C)(C)C2)n1	ZINC000853752479	968292868	/nfs/dbraw/zinc/29/28/68/968292868.db2.gz	SRJLSGHTDJFKHP-STQMWFEESA-N	1	0	360.462	1.876	20	30		FDEDRO
COCC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1	ZINC001191302560	968413382	/nfs/dbraw/zinc/41/33/82/968413382.db2.gz	GXDOYEFONGPCMK-JLMWRMLUSA-N	1	0	368.477	1.909	20	30		FDEDRO
N#Cc1c(NC[C@H]2CC[N@@H+]2Cc2ccccc2)cccc1S(N)(=O)=O	ZINC000853978461	968490536	/nfs/dbraw/zinc/49/05/36/968490536.db2.gz	GDARIXTYVIKIQH-OAHLLOKOSA-N	1	0	356.451	1.892	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c1	ZINC000853995933	968511599	/nfs/dbraw/zinc/51/15/99/968511599.db2.gz	SKAXOGHRMKRRAN-QGZVFWFLSA-N	1	0	369.465	1.875	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(CF)cc2)C[C@H]1O	ZINC001192053695	968930524	/nfs/dbraw/zinc/93/05/24/968930524.db2.gz	DDPXLOLUKHKXMY-QZTJIDSGSA-N	1	0	350.434	1.800	20	30		FDEDRO
COc1cc(C)nc(N(C(=O)c2cnc(C)c(C#N)c2)C2CC[NH2+]CC2)n1	ZINC001192293836	969048820	/nfs/dbraw/zinc/04/88/20/969048820.db2.gz	LTEIZNDNWHGTDV-UHFFFAOYSA-N	1	0	366.425	1.768	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCCOc2ccc(F)cc2)C[C@H]1O	ZINC001192548064	969158719	/nfs/dbraw/zinc/15/87/19/969158719.db2.gz	YBFLBNWNHVDHOF-ZHALLVOQSA-N	1	0	366.433	1.083	20	30		FDEDRO
Cc1ccc(N(C(=O)c2ccc(C#N)o2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1	ZINC001192675609	969225876	/nfs/dbraw/zinc/22/58/76/969225876.db2.gz	MMOGSYIVGIDPJO-IFXJQAMLSA-N	1	0	367.409	1.808	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](N(C)CC(=O)N(CC)C2CC2)C1	ZINC001192795170	969301330	/nfs/dbraw/zinc/30/13/30/969301330.db2.gz	UTHCMYFDEWABCX-AOIWGVFYSA-N	1	0	363.502	1.511	20	30		FDEDRO
COc1cccc(/C=C/CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C2)c1	ZINC001192804784	969308053	/nfs/dbraw/zinc/30/80/53/969308053.db2.gz	IUCBECWJTPUKCF-ZYIDEWGLSA-N	1	0	356.466	1.919	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCn3ccnc3C2)c(OC)c1	ZINC000644626151	1013866051	/nfs/dbraw/zinc/86/60/51/1013866051.db2.gz	MNUIDAJVOLVJEO-SJORKVTESA-N	1	0	357.454	1.965	20	30		FDEDRO
CCC[C@@H](C)NC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C#N)[nH]1)C2	ZINC001110450144	969322360	/nfs/dbraw/zinc/32/23/60/969322360.db2.gz	UIPFQSYSPIPETL-WNOSKKOXSA-N	1	0	357.458	1.526	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CCOCC=C)C[C@H]2O)cc1	ZINC001192899689	969353979	/nfs/dbraw/zinc/35/39/79/969353979.db2.gz	UYAGUBMLGXMPFH-RTBURBONSA-N	1	0	358.438	1.066	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N[C@@H]2C[N@H+](CCCOCC)C[C@H]2O)cc1	ZINC001192899395	969354164	/nfs/dbraw/zinc/35/41/64/969354164.db2.gz	ORXWUGAJYIJRQL-RTBURBONSA-N	1	0	360.454	1.290	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc3ccccc3c2)C[C@H]1O	ZINC001192900050	969355163	/nfs/dbraw/zinc/35/51/63/969355163.db2.gz	ZQXJFGMTNFCRNU-CWFSZBLJSA-N	1	0	352.434	1.539	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O	ZINC001192925081	969383136	/nfs/dbraw/zinc/38/31/36/969383136.db2.gz	SPKQNTQPEKIBHK-RTBURBONSA-N	1	0	368.518	1.727	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccoc2C)C1	ZINC001193192899	969527572	/nfs/dbraw/zinc/52/75/72/969527572.db2.gz	YFOIHNXIKZCSCJ-IAGOWNOFSA-N	1	0	365.474	1.450	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ccccc3c(=O)o2)C1	ZINC001193297162	969621659	/nfs/dbraw/zinc/62/16/59/969621659.db2.gz	SFGFECHSYLNMOL-KBRIMQKVSA-N	1	0	356.422	1.923	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(-c3cccnc3)nn2)C1	ZINC001193559184	969761407	/nfs/dbraw/zinc/76/14/07/969761407.db2.gz	YNPYVVNXRHKPQS-SJLPKXTDSA-N	1	0	370.457	1.184	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cccc(OC)c3C)C[C@H]2O)CCC1	ZINC001193691024	969814957	/nfs/dbraw/zinc/81/49/57/969814957.db2.gz	LRIFEJVYMMMGKE-QZTJIDSGSA-N	1	0	356.466	1.859	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCCOc3ccccc3)C[C@H]2O)CCC1	ZINC001193710852	969835253	/nfs/dbraw/zinc/83/52/53/969835253.db2.gz	ICYYHPFWWFEDCR-RTBURBONSA-N	1	0	356.466	1.810	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+]([C@H]3CCc4ccccc43)C[C@H]2O)CCOCC1	ZINC001193717933	969839337	/nfs/dbraw/zinc/83/93/37/969839337.db2.gz	ADYHUPKHZCAEOM-HSALFYBXSA-N	1	0	368.477	1.655	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(CC(C)C)CCNC2=O)C1	ZINC001193912385	969921438	/nfs/dbraw/zinc/92/14/38/969921438.db2.gz	YRAFCHOMEAPGIS-MBOZVWFJSA-N	1	0	367.534	1.671	20	30		FDEDRO
N#Cc1cncc(C(=O)N(c2ncccc2F)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1	ZINC001194105314	970019785	/nfs/dbraw/zinc/01/97/85/970019785.db2.gz	QBPULGCNMMPXFL-KXBFYZLASA-N	1	0	367.384	1.655	20	30		FDEDRO
N#Cc1cncc(C(=O)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1	ZINC001194105327	970021153	/nfs/dbraw/zinc/02/11/53/970021153.db2.gz	QIPWNLNELMEGOT-MOPGFXCFSA-N	1	0	363.421	1.464	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3cn[nH]c3)cn2)C1	ZINC001194235532	970066171	/nfs/dbraw/zinc/06/61/71/970066171.db2.gz	LEHFZCIPLFYVTL-FSPWUOQZSA-N	1	0	355.442	1.601	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3nnc(C)n3c2)C1	ZINC001194298478	970090584	/nfs/dbraw/zinc/09/05/84/970090584.db2.gz	GBZOOGCTUFKTDU-IAGOWNOFSA-N	1	0	359.474	1.783	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc(NC(C)=O)cc2)C1	ZINC001194443592	970196759	/nfs/dbraw/zinc/19/67/59/970196759.db2.gz	PSQRDDGKBAHZNH-NIKGAXFTSA-N	1	0	359.470	1.704	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl	ZINC001194497365	970218557	/nfs/dbraw/zinc/21/85/57/970218557.db2.gz	JSXMJAYZTBDXDR-OCCSQVGLSA-N	1	0	373.862	1.249	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1	ZINC001194631956	970279083	/nfs/dbraw/zinc/27/90/83/970279083.db2.gz	ODJLIZWIUJIJLK-OOSNJVJTSA-N	1	0	372.465	1.091	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc3cnccc3c2)C1	ZINC001194639114	970282656	/nfs/dbraw/zinc/28/26/56/970282656.db2.gz	VUAFGBBIIQESLK-RTBURBONSA-N	1	0	355.438	1.141	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccc3[nH]ccc3c2)C1	ZINC001194752794	970360598	/nfs/dbraw/zinc/36/05/98/970360598.db2.gz	IMHITVUBEWRUGJ-RTBURBONSA-N	1	0	357.454	1.464	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cc(F)cc(F)c1	ZINC001110461662	970425609	/nfs/dbraw/zinc/42/56/09/970425609.db2.gz	CPWQJVAGIMDXLF-ZACQAIPSSA-N	1	0	361.392	1.326	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3COC[C@]3(C(=O)OC(C)(C)C)C2)CC1	ZINC000855632349	970557275	/nfs/dbraw/zinc/55/72/75/970557275.db2.gz	LCJYOKYVZADCTA-OXQOHEQNSA-N	1	0	362.470	1.148	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1	ZINC000855883380	970741257	/nfs/dbraw/zinc/74/12/57/970741257.db2.gz	IOVVOMCLLSMGBR-AWEZNQCLSA-N	1	0	353.463	1.389	20	30		FDEDRO
COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CC(=O)NCc2cccc(C#N)c2)C1	ZINC000775811391	972626516	/nfs/dbraw/zinc/62/65/16/972626516.db2.gz	PHBPLUHMLXZQKU-RHSMWYFYSA-N	1	0	358.442	1.631	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N[C@@H]1CN(Cc2cc(C#N)ccc2F)C[C@H]1O	ZINC001198004135	972632801	/nfs/dbraw/zinc/63/28/01/972632801.db2.gz	VWOAVTHQEANVOG-QZTJIDSGSA-N	1	0	362.449	1.091	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N[C@@H]1CN(Cc2cc(F)ccc2C#N)C[C@H]1O	ZINC001197997033	972673199	/nfs/dbraw/zinc/67/31/99/972673199.db2.gz	SUWQRMCNXOIBKT-QZTJIDSGSA-N	1	0	362.449	1.091	20	30		FDEDRO
Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C=NNc1cc[nH+]c(C)c1	ZINC000863158586	972688035	/nfs/dbraw/zinc/68/80/35/972688035.db2.gz	IBWRSVDYSCXILT-ZDUSSCGKSA-N	1	0	367.862	1.776	20	30		FDEDRO
CCCCCCCCCCC(=O)N[C@@H]1CN(CC(=O)NCC)C[C@H]1O	ZINC001198069232	972760527	/nfs/dbraw/zinc/76/05/27/972760527.db2.gz	SPDNJQQJAYLMIE-IAGOWNOFSA-N	1	0	355.523	1.815	20	30		FDEDRO
C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000119461179	972920657	/nfs/dbraw/zinc/92/06/57/972920657.db2.gz	LZDOGXAOZIWPNF-DOMZBBRYSA-N	1	0	362.405	1.465	20	30		FDEDRO
CS(=O)(=O)Nc1cccc(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)c1	ZINC000863547862	973002174	/nfs/dbraw/zinc/00/21/74/973002174.db2.gz	LZHBEZZVHFTBJY-MRXNPFEDSA-N	1	0	367.471	1.219	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(CCC[NH2+]C[C@@H](O)CC2(C#N)CC2)CC1	ZINC000863552270	973008432	/nfs/dbraw/zinc/00/84/32/973008432.db2.gz	WVWKWANBRJGPTM-INIZCTEOSA-N	1	0	366.506	1.574	20	30		FDEDRO
C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1	ZINC000863553549	973011205	/nfs/dbraw/zinc/01/12/05/973011205.db2.gz	DVVYLCOJIPLDGZ-GJZGRUSLSA-N	1	0	355.479	1.808	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)CCOCC1	ZINC000863564609	973019409	/nfs/dbraw/zinc/01/94/09/973019409.db2.gz	YTFFXLKOJUYQOA-SWLSCSKDSA-N	1	0	358.360	1.798	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)CCOCC1	ZINC000863564606	973019522	/nfs/dbraw/zinc/01/95/22/973019522.db2.gz	YTFFXLKOJUYQOA-IUODEOHRSA-N	1	0	358.360	1.798	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000645161417	1014089483	/nfs/dbraw/zinc/08/94/83/1014089483.db2.gz	PVTMVAXNEXKUFM-HXUWFJFHSA-N	1	0	372.513	1.398	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N	ZINC000794577440	973294719	/nfs/dbraw/zinc/29/47/19/973294719.db2.gz	RAMRDOISNQMHBW-ILXRZTDVSA-N	1	0	363.421	1.728	20	30		FDEDRO
C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnc(NCC2CCOCC2)nc1	ZINC001198683927	973412051	/nfs/dbraw/zinc/41/20/51/973412051.db2.gz	ZOJMCYRWLZQZCB-KRWDZBQOSA-N	1	0	359.474	1.695	20	30		FDEDRO
C=CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O)c1ccccc1	ZINC001198880993	973651885	/nfs/dbraw/zinc/65/18/85/973651885.db2.gz	SBAMFKWSJPBOHZ-VAMGGRTRSA-N	1	0	358.482	1.934	20	30		FDEDRO
C=C[C@@H](CC(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1O)c1ccccc1	ZINC001198917132	973678438	/nfs/dbraw/zinc/67/84/38/973678438.db2.gz	FOKBLRSOIXAUAK-PWIZWCRZSA-N	1	0	368.481	1.484	20	30		FDEDRO
C=C[C@@H](CC(=O)N[C@@H]1C[N@H+](CCOCCOC)C[C@H]1O)c1ccccc1	ZINC001198917222	973680062	/nfs/dbraw/zinc/68/00/62/973680062.db2.gz	IGEHCGPGRZIXFL-QXAKKESOSA-N	1	0	362.470	1.171	20	30		FDEDRO
C=C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1O)c1ccccc1	ZINC001198956344	973742460	/nfs/dbraw/zinc/74/24/60/973742460.db2.gz	VCKMZPQKISLRIV-NJDAHSKKSA-N	1	0	366.461	1.810	20	30		FDEDRO
O=C(CC#Cc1ccccc1)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@H]1O	ZINC001198944738	973784773	/nfs/dbraw/zinc/78/47/73/973784773.db2.gz	MMODSCNPJQULET-QHAWAJNXSA-N	1	0	370.493	1.531	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)c2ccc(F)cc2)C1	ZINC001198997749	973824171	/nfs/dbraw/zinc/82/41/71/973824171.db2.gz	LJJYRJYOQAGVSA-ZTFGCOKTSA-N	1	0	350.434	1.683	20	30		FDEDRO
CNC(=O)NCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C#N)c(F)c1	ZINC001110526372	973834286	/nfs/dbraw/zinc/83/42/86/973834286.db2.gz	GAOMCRKSOSITAX-OIISXLGYSA-N	1	0	373.432	1.238	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](C)CC(C)C)C[C@H]1O	ZINC001199081817	973903138	/nfs/dbraw/zinc/90/31/38/973903138.db2.gz	ZDBJLAZOWRAJRV-BZUAXINKSA-N	1	0	368.522	1.094	20	30		FDEDRO
CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(CC#Cc2ccccc2Cl)C[C@H]1O	ZINC001199104633	973919924	/nfs/dbraw/zinc/91/99/24/973919924.db2.gz	PRHMXRONZUJWIQ-QZTJIDSGSA-N	1	0	363.889	1.193	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@H]2O)CCCCC1	ZINC001199284866	974120773	/nfs/dbraw/zinc/12/07/73/974120773.db2.gz	YVSDMPZNCMOWEQ-QZTJIDSGSA-N	1	0	371.481	1.020	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCCOc2ccccc2C)C[C@H]1O	ZINC001199330950	974197455	/nfs/dbraw/zinc/19/74/55/974197455.db2.gz	JRQPNHYBHNGULA-RCCFBDPRSA-N	1	0	362.470	1.516	20	30		FDEDRO
CCS(=O)(=O)N1CCC([NH2+]Cc2cc(C#N)ccc2N(C)C)CC1	ZINC000865410651	974282104	/nfs/dbraw/zinc/28/21/04/974282104.db2.gz	CKCFBLSBIJRJDG-UHFFFAOYSA-N	1	0	350.488	1.528	20	30		FDEDRO
CCCS(=O)(=O)N1CCC([NH2+]Cc2cc(C#N)ccc2N(C)C)CC1	ZINC000865413277	974284365	/nfs/dbraw/zinc/28/43/65/974284365.db2.gz	BRQLOMVFINVFFM-UHFFFAOYSA-N	1	0	364.515	1.918	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+]Cc3cn(C[C@H]4CCCO4)nn3)CC2)nc1	ZINC000865445062	974300921	/nfs/dbraw/zinc/30/09/21/974300921.db2.gz	DEOGLRXJBRBLHS-GOSISDBHSA-N	1	0	367.457	1.482	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCc1ccco1	ZINC001110539539	974411660	/nfs/dbraw/zinc/41/16/60/974411660.db2.gz	XORSIBWERUXFFV-RWQQGDIJSA-N	1	0	360.454	1.538	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+]C[C@@]34COC(=O)N3CCOC4)CC2)cc1	ZINC000865771027	974477062	/nfs/dbraw/zinc/47/70/62/974477062.db2.gz	RECWESBXTZILQM-HXUWFJFHSA-N	1	0	370.453	1.333	20	30		FDEDRO
N#CCCCOc1cccc(C[NH2+]C[C@]23COCCN2C(=O)COC3)c1	ZINC000865797450	974498938	/nfs/dbraw/zinc/49/89/38/974498938.db2.gz	HYYVXQJJZDIAQX-LJQANCHMSA-N	1	0	359.426	1.087	20	30		FDEDRO
C#CC[N@H+](C)CCCNc1cccc(OC(F)(F)F)c1S(N)(=O)=O	ZINC000865834460	974525099	/nfs/dbraw/zinc/52/50/99/974525099.db2.gz	NCNPUZAECSMDON-UHFFFAOYSA-N	1	0	365.377	1.600	20	30		FDEDRO
N#Cc1cc(C(F)(F)F)cc(N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)n1	ZINC000865860913	974535800	/nfs/dbraw/zinc/53/58/00/974535800.db2.gz	LIQKXDKRNVKSSG-CQSZACIVSA-N	1	0	367.375	1.763	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CCc1ccccc1	ZINC001110551032	974733971	/nfs/dbraw/zinc/73/39/71/974733971.db2.gz	LXKSBHBSYZLGKN-NCYKPQTJSA-N	1	0	370.493	1.742	20	30		FDEDRO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]CC#Cc2ccc(Cl)cc2)CC1	ZINC001200462390	974779104	/nfs/dbraw/zinc/77/91/04/974779104.db2.gz	ZEHAZOOIBIBFKL-IAGOWNOFSA-N	1	0	361.829	1.937	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)C(=O)NCCC)CC1	ZINC001200635725	974851300	/nfs/dbraw/zinc/85/13/00/974851300.db2.gz	CBKRXIHKVBTYDY-UAGQMJEPSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)C(=O)N(C)C(C)C)CC1	ZINC001200636155	974852938	/nfs/dbraw/zinc/85/29/38/974852938.db2.gz	GEQIKEIZFSLSAX-JQHSSLGASA-N	1	0	365.518	1.804	20	30		FDEDRO
CCCC[C@@H](CNc1nccnc1C#N)NC(=O)[C@@H]1C[C@H]1c1cncn1C	ZINC001114314272	974889452	/nfs/dbraw/zinc/88/94/52/974889452.db2.gz	SNASHXQRXUZZDY-RRFJBIMHSA-N	1	0	367.457	1.972	20	30		FDEDRO
N#Cc1ccc(F)c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)CO[C@@H]2CCOC2)C3)c1	ZINC001110560092	974952650	/nfs/dbraw/zinc/95/26/50/974952650.db2.gz	XOAJTTGHOXFUQQ-RWQQGDIJSA-N	1	0	373.428	1.724	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2	ZINC001110567068	975056862	/nfs/dbraw/zinc/05/68/62/975056862.db2.gz	XMPXHXLQBOTKJW-TVFCKZIOSA-N	1	0	374.529	1.110	20	30		FDEDRO
CCCCCCC[N@@H+]1CC[C@@H]2CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]2CC1	ZINC001201777557	975156718	/nfs/dbraw/zinc/15/67/18/975156718.db2.gz	YWSUAGHNSXIZRH-IAGOWNOFSA-N	1	0	373.563	1.771	20	30		FDEDRO
N#C[C@]1(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CCCOC1	ZINC000866229079	975501647	/nfs/dbraw/zinc/50/16/47/975501647.db2.gz	PLFHRZWOVJTXCW-HXUWFJFHSA-N	1	0	357.454	1.580	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	ZINC000645351830	1014271407	/nfs/dbraw/zinc/27/14/07/1014271407.db2.gz	LDYJZDNCBUWSLM-KRWDZBQOSA-N	1	0	351.491	1.343	20	30		FDEDRO
COCC[N@H+](C)CCNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000847428269	975616063	/nfs/dbraw/zinc/61/60/63/975616063.db2.gz	LLHCFQZEJWJGIQ-UHFFFAOYSA-N	1	0	367.490	1.331	20	30		FDEDRO
C#C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)C1	ZINC000847560653	975826135	/nfs/dbraw/zinc/82/61/35/975826135.db2.gz	HHUWAEZWPDTPAE-HNNXBMFYSA-N	1	0	370.453	1.387	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)N[C@H](CC)[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000645369343	1014287206	/nfs/dbraw/zinc/28/72/06/1014287206.db2.gz	BBSNVGWDNLGKRP-AQNXPRMDSA-N	1	0	373.497	1.740	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1conc1CNC(=O)OC(C)(C)C	ZINC000848142638	976379549	/nfs/dbraw/zinc/37/95/49/976379549.db2.gz	KUHXZGZCZOCIEF-UHFFFAOYSA-N	1	0	350.419	1.384	20	30		FDEDRO
COC(=O)[C@@H](NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)C1CCCCC1	ZINC000867927505	977100612	/nfs/dbraw/zinc/10/06/12/977100612.db2.gz	HRAJLAYAJZNPFW-ROUUACIJSA-N	1	0	355.438	1.983	20	30		FDEDRO
C[C@H]1CN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CCN1CC(F)(F)F	ZINC000867977482	977161447	/nfs/dbraw/zinc/16/14/47/977161447.db2.gz	INGJUBFUZYOCBT-LRDDRELGSA-N	1	0	366.387	1.840	20	30		FDEDRO
C[NH+]=C(NCCOc1ccc(I)cc1)NC1CC1	ZINC000848988390	977285555	/nfs/dbraw/zinc/28/55/55/977285555.db2.gz	CWZVCNCXNLJTQC-UHFFFAOYSA-N	1	0	359.211	1.997	20	30		FDEDRO
COc1cc2c(cc1OC)CN(C(=O)CCCNC1=[NH+]C[C@@H](C)N1)CC2	ZINC000849050984	977293812	/nfs/dbraw/zinc/29/38/12/977293812.db2.gz	QYPIBONCFPEZBO-CYBMUJFWSA-N	1	0	360.458	1.306	20	30		FDEDRO
C[NH+]=C(NCCOc1ccc2ccccc2c1)NCCN1CCOCC1	ZINC000849056100	977297051	/nfs/dbraw/zinc/29/70/51/977297051.db2.gz	UWHJEJABRKNEMY-UHFFFAOYSA-N	1	0	356.470	1.716	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCCNc2ncccc2C#N)cc1OC	ZINC000849058634	977298147	/nfs/dbraw/zinc/29/81/47/977298147.db2.gz	JBAGWJJWIGIZRM-UHFFFAOYSA-N	1	0	354.414	1.697	20	30		FDEDRO
C=CCNC(=[NH2+])N[C@@H]1CCN([C@@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O	ZINC000849089927	977310063	/nfs/dbraw/zinc/31/00/63/977310063.db2.gz	LBUBLCLCHGFTMA-HZPDHXFCSA-N	1	0	372.469	1.970	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COC1CCOCC1	ZINC001110610521	977413694	/nfs/dbraw/zinc/41/36/94/977413694.db2.gz	HGJGEYHRRHEJPM-RWQQGDIJSA-N	1	0	366.502	1.621	20	30		FDEDRO
CN1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3Cc4ccc(C#N)cc4C3)C2)CC1	ZINC000868290885	977456527	/nfs/dbraw/zinc/45/65/27/977456527.db2.gz	VIQSPFXXNATVDP-OALUTQOASA-N	1	0	367.497	1.493	20	30		FDEDRO
C#CCN1CCN(C(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)CC1	ZINC000849540681	977724469	/nfs/dbraw/zinc/72/44/69/977724469.db2.gz	HOXXTTDDWODGKJ-RBUKOAKNSA-N	1	0	357.502	1.011	20	30		FDEDRO
Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2cc(F)c(C#N)c(F)c2)cn1	ZINC000849586808	977793397	/nfs/dbraw/zinc/79/33/97/977793397.db2.gz	QQRSIIBDXDFIEI-GOEBONIOSA-N	1	0	373.407	1.922	20	30		FDEDRO
CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)Cc2ccc(C#N)cc2)cc1	ZINC000850587240	978448948	/nfs/dbraw/zinc/44/89/48/978448948.db2.gz	UAZWIBHUQZEDOG-SFHVURJKSA-N	1	0	358.467	1.744	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)ccc1F	ZINC000850721567	978645234	/nfs/dbraw/zinc/64/52/34/978645234.db2.gz	BCNBNOBRGDHHAU-RISCZKNCSA-N	1	0	355.435	1.099	20	30		FDEDRO
C#CCN(C(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)C1CCCC1	ZINC000850813285	978681822	/nfs/dbraw/zinc/68/18/22/978681822.db2.gz	BJXVOFOQCCQFDM-SFHVURJKSA-N	1	0	355.438	1.690	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)c1	ZINC000850829226	978687870	/nfs/dbraw/zinc/68/78/70/978687870.db2.gz	GLAQGOWFTHJMAS-KRWDZBQOSA-N	1	0	369.465	1.875	20	30		FDEDRO
N#CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1	ZINC000850831514	978688847	/nfs/dbraw/zinc/68/88/47/978688847.db2.gz	WSBOEYBPMZIWKR-MRXNPFEDSA-N	1	0	370.453	1.766	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1	ZINC000968001210	1014538488	/nfs/dbraw/zinc/53/84/88/1014538488.db2.gz	PPAFQWNKWCWBBM-BZSNNMDCSA-N	1	0	363.502	1.511	20	30		FDEDRO
N#Cc1cccnc1NCCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1	ZINC000851655811	978986299	/nfs/dbraw/zinc/98/62/99/978986299.db2.gz	YIQDUGFLMVBANL-QZTJIDSGSA-N	1	0	364.453	1.810	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](c3nccs3)C2)CC1	ZINC000880319426	979095366	/nfs/dbraw/zinc/09/53/66/979095366.db2.gz	GGISBAPRKRDAHD-JKSUJKDBSA-N	1	0	361.515	1.625	20	30		FDEDRO
C#CCC1(O)CC[NH+](CCOc2ccc(S(=O)(=O)N(C)C)cc2)CC1	ZINC000880477679	979218303	/nfs/dbraw/zinc/21/83/03/979218303.db2.gz	SQSGQUBJLNMVJG-UHFFFAOYSA-N	1	0	366.483	1.166	20	30		FDEDRO
C#CCC1(O)CC[NH+](CC(=O)N2CCN([C@@H](C)c3ccccc3)CC2)CC1	ZINC000880477870	979218510	/nfs/dbraw/zinc/21/85/10/979218510.db2.gz	OHLLIJDCAKTTRM-IBGZPJMESA-N	1	0	369.509	1.742	20	30		FDEDRO
C#CCC1(O)CC[NH+]([C@@H](C)C(=O)N2CCC[C@@H](C(=O)OCC)C2)CC1	ZINC000880479825	979220521	/nfs/dbraw/zinc/22/05/21/979220521.db2.gz	ZFNBCDMZQHRALD-JKSUJKDBSA-N	1	0	350.459	1.027	20	30		FDEDRO
C#C[C@](C)(CC)[NH2+]CC(=O)N(CC)c1c(N)n(CCCC)c(=O)[nH]c1=O	ZINC000852099965	979349780	/nfs/dbraw/zinc/34/97/80/979349780.db2.gz	DUETYAOYPITKCN-GOSISDBHSA-N	1	0	363.462	1.076	20	30		FDEDRO
C[NH+]1CCC(O)(CNC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)CC1	ZINC000880927606	979529507	/nfs/dbraw/zinc/52/95/07/979529507.db2.gz	JRGYKMUURIACBX-AWEZNQCLSA-N	1	0	370.375	1.918	20	30		FDEDRO
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1ccc(C2CC2)c(C#N)c1	ZINC000881119326	979690578	/nfs/dbraw/zinc/69/05/78/979690578.db2.gz	ATFCAXVGMTVJIH-UHFFFAOYSA-N	1	0	357.458	1.919	20	30		FDEDRO
CN1CC[NH+](CC2CCN(C(=O)Nc3cccc(CC#N)n3)CC2)CC1	ZINC000881152742	979718988	/nfs/dbraw/zinc/71/89/88/979718988.db2.gz	RZQKZCGHZRVFPC-UHFFFAOYSA-N	1	0	356.474	1.639	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(c3ncc(C#N)cc3Br)CC2)C1	ZINC000881984928	980346478	/nfs/dbraw/zinc/34/64/78/980346478.db2.gz	FHZRGFIVWHMPMN-CQSZACIVSA-N	1	0	364.291	1.932	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N(CC)C3CC3)C[C@H]21	ZINC001114954780	1014715703	/nfs/dbraw/zinc/71/57/03/1014715703.db2.gz	WTLDDSBHVIZESF-APWQULEDSA-N	1	0	361.486	1.025	20	30		FDEDRO
C[N@H+](CCNc1c(C#N)cnc2c(F)c(F)c(F)cc21)CCOCCO	ZINC000882951841	981821669	/nfs/dbraw/zinc/82/16/69/981821669.db2.gz	XCOQBFGWVBUWBN-UHFFFAOYSA-N	1	0	368.359	1.298	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1	ZINC000858144049	981861453	/nfs/dbraw/zinc/86/14/53/981861453.db2.gz	FDUJJGOJWMZRNT-QGZVFWFLSA-N	1	0	359.474	1.061	20	30		FDEDRO
C#CCCOc1ccc(C[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)cc1	ZINC000858223400	981925492	/nfs/dbraw/zinc/92/54/92/981925492.db2.gz	ZWUIBOAARQHVGO-NRFANRHFSA-N	1	0	358.482	1.794	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1	ZINC000858252699	981943592	/nfs/dbraw/zinc/94/35/92/981943592.db2.gz	PIYOMZCWFREWLZ-QZTJIDSGSA-N	1	0	364.515	1.986	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)cc1C#N	ZINC000858307049	981977444	/nfs/dbraw/zinc/97/74/44/981977444.db2.gz	ZHWREUSMROHZPT-LJQANCHMSA-N	1	0	352.438	1.952	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC1	ZINC000883142536	981977619	/nfs/dbraw/zinc/97/76/19/981977619.db2.gz	MHHORUQJQMSUDN-QGZVFWFLSA-N	1	0	355.482	1.993	20	30		FDEDRO
CCC1([NH+]2CCOCC2)CCN(C(=O)NCc2ccc(C#N)cn2)CC1	ZINC000858458723	982060866	/nfs/dbraw/zinc/06/08/66/982060866.db2.gz	GQLLNMUYZPRQCG-UHFFFAOYSA-N	1	0	357.458	1.740	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)cc1	ZINC000883372127	982101258	/nfs/dbraw/zinc/10/12/58/982101258.db2.gz	NGELZVCAMHWOTE-AZUAARDMSA-N	1	0	372.513	1.864	20	30		FDEDRO
C#Cc1cccc(CNC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)c1	ZINC000883684186	982375013	/nfs/dbraw/zinc/37/50/13/982375013.db2.gz	ZHZLIPONYABQQS-HXUWFJFHSA-N	1	0	370.497	1.264	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1	ZINC001006347169	982516452	/nfs/dbraw/zinc/51/64/52/982516452.db2.gz	VUMUPFUZOIRNSJ-JLSDUUJJSA-N	1	0	363.502	1.273	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H](O)Cc2ccccc2)CC1	ZINC001202559764	982556325	/nfs/dbraw/zinc/55/63/25/982556325.db2.gz	MQRFMZXUXCUUFB-ZCNNSNEGSA-N	1	0	358.482	1.762	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]CCOCC(F)(F)F)CC1	ZINC001202559740	982556493	/nfs/dbraw/zinc/55/64/93/982556493.db2.gz	LQGKZTXEIKYWJQ-KGLIPLIRSA-N	1	0	350.381	1.737	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]CCCO[C@@H]2CCOC2)CC1	ZINC001202559809	982558143	/nfs/dbraw/zinc/55/81/43/982558143.db2.gz	OVFZNJGNZNPLGS-KURKYZTESA-N	1	0	352.475	1.354	20	30		FDEDRO
C[N@H+](C[C@@H](O)COc1ccccc1C#N)[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000859137900	982569145	/nfs/dbraw/zinc/56/91/45/982569145.db2.gz	FNOMFOBZMDBNOW-KGLIPLIRSA-N	1	0	371.359	1.393	20	30		FDEDRO
CC[C@@H]1C[C@H]1C(=O)N1CCC([NH2+]CC(=O)NCC#Cc2ccccc2)CC1	ZINC001202568533	982593692	/nfs/dbraw/zinc/59/36/92/982593692.db2.gz	SWSPEEKIWGRZSP-UYAOXDASSA-N	1	0	367.493	1.781	20	30		FDEDRO
COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2C#N)C1	ZINC000859258916	982653525	/nfs/dbraw/zinc/65/35/25/982653525.db2.gz	XHLBQAWACUSIRC-HYVNUMGLSA-N	1	0	361.442	1.754	20	30		FDEDRO
COC(=O)[C@@]1(c2ccccc2)CC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000859312033	982703136	/nfs/dbraw/zinc/70/31/36/982703136.db2.gz	GKZOBPOWPKOCJD-RXVVDRJESA-N	1	0	372.465	1.874	20	30		FDEDRO
N#C[C@H]1CN(S(=O)(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CCO1	ZINC000800007640	982706227	/nfs/dbraw/zinc/70/62/27/982706227.db2.gz	MLLKCTLDQFYNRC-KRWDZBQOSA-N	1	0	370.519	1.044	20	30		FDEDRO
Cc1cc(N2CCC[C@H](N3CC[NH+](CCCCC#N)CC3)C2=O)n(C)n1	ZINC000331509854	982899329	/nfs/dbraw/zinc/89/93/29/982899329.db2.gz	UKDUOGOUZKEDCB-KRWDZBQOSA-N	1	0	358.490	1.535	20	30		FDEDRO
CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)N3CCC(C#N)CC3)C2)CC1	ZINC000331800808	982944682	/nfs/dbraw/zinc/94/46/82/982944682.db2.gz	MBYRUBYWWDEZRT-GOSISDBHSA-N	1	0	360.502	1.719	20	30		FDEDRO
Cn1ccnc1[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccccc1F	ZINC000884181268	982956345	/nfs/dbraw/zinc/95/63/45/982956345.db2.gz	AGKSXAQQNBLZJE-WFXHLMOQSA-N	1	0	367.428	1.904	20	30		FDEDRO
CCN1C[C@H](CN(C)C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)Oc2ccccc21	ZINC000884181605	982957282	/nfs/dbraw/zinc/95/72/82/982957282.db2.gz	KIJBJCNTFOXBFH-NHUHVJRWSA-N	1	0	368.481	1.872	20	30		FDEDRO
C[C@H]1CN(c2ccc(CNC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)cn2)CCO1	ZINC000884186639	982962694	/nfs/dbraw/zinc/96/26/94/982962694.db2.gz	FXLVJUCRDNMQLQ-ABKMUHTPSA-N	1	0	369.469	1.062	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(N3CCCCC3)nc1)C2	ZINC000884186565	982962766	/nfs/dbraw/zinc/96/27/66/982962766.db2.gz	DGRSCZQMXXUAAG-GNZRSQJKSA-N	1	0	353.470	1.827	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NCC1CC[NH+](Cc2ccccc2)CC1	ZINC000884201931	982977057	/nfs/dbraw/zinc/97/70/57/982977057.db2.gz	LMUNMXDCKBITCD-SFHVURJKSA-N	1	0	359.470	1.461	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCN1CCN(c3ccccc3)CC1)C2	ZINC000884234184	983009046	/nfs/dbraw/zinc/00/90/46/983009046.db2.gz	KOPNNPZRELSJEJ-IDYZSHNDSA-N	1	0	367.497	1.064	20	30		FDEDRO
CCc1cc(N2CCC[C@H](NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)C2)ncn1	ZINC000884311610	983074672	/nfs/dbraw/zinc/07/46/72/983074672.db2.gz	HIOKBCGVWOGAOA-RHELOZEPSA-N	1	0	368.485	1.263	20	30		FDEDRO
Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884315823	983077858	/nfs/dbraw/zinc/07/78/58/983077858.db2.gz	BECQYZDJQCAKDX-KLRDNXEFSA-N	1	0	352.438	1.134	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1	ZINC000884323983	983085083	/nfs/dbraw/zinc/08/50/83/983085083.db2.gz	DJKXTILAWXXWKA-SFHVURJKSA-N	1	0	374.485	1.602	20	30		FDEDRO
C[C@H](O)[C@@](C)(CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)Cc1ccccc1	ZINC000884327249	983087664	/nfs/dbraw/zinc/08/76/64/983087664.db2.gz	NTYLVHOGMTYRGS-VHSUUNCCSA-N	1	0	355.482	1.872	20	30		FDEDRO
C=CC[C@H]1N(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CCCC1(C)C	ZINC000332634913	983090059	/nfs/dbraw/zinc/09/00/59/983090059.db2.gz	FEZLPMWBCPSWSQ-IAGOWNOFSA-N	1	0	362.518	1.086	20	30		FDEDRO
COc1cc(N2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CC2)ccc1F	ZINC000884335684	983094777	/nfs/dbraw/zinc/09/47/77/983094777.db2.gz	ZYTZBVLIWBAFEH-RDYUPDBUSA-N	1	0	372.444	1.622	20	30		FDEDRO
COc1ccc(N2CC[C@H](CNC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)C2)cc1	ZINC000884369218	983119182	/nfs/dbraw/zinc/11/91/82/983119182.db2.gz	WPHBIQSRJXZALQ-HRXNXTQESA-N	1	0	368.481	1.777	20	30		FDEDRO
CC1([NH+]2CCCC2)CCC(=NNC(=S)NCCN2CCOCC2)CC1	ZINC000884380458	983128438	/nfs/dbraw/zinc/12/84/38/983128438.db2.gz	DONGLPTYKBZMCP-UHFFFAOYSA-N	1	0	367.563	1.567	20	30		FDEDRO
COc1ccc(N2CC[C@@H](NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)C2)cc1	ZINC000884398001	983137324	/nfs/dbraw/zinc/13/73/24/983137324.db2.gz	SXRBHKKFGGHQHL-QNBXZPKWSA-N	1	0	354.454	1.529	20	30		FDEDRO
N#Cc1ccccc1CN1C(=O)CN(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)C1=O	ZINC000884483244	983185567	/nfs/dbraw/zinc/18/55/67/983185567.db2.gz	QJFICWVQTYDROL-ROUUACIJSA-N	1	0	368.437	1.781	20	30		FDEDRO
C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	ZINC000884551455	983239565	/nfs/dbraw/zinc/23/95/65/983239565.db2.gz	AWQVWLPOHFSGQZ-IUODEOHRSA-N	1	0	368.462	1.851	20	30		FDEDRO
CCC(C#N)(CC)C(=O)OCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1	ZINC000860196015	983281609	/nfs/dbraw/zinc/28/16/09/983281609.db2.gz	JHRYOKZWMOVTBQ-OAHLLOKOSA-N	1	0	353.463	1.333	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1Cl	ZINC000923686462	983282589	/nfs/dbraw/zinc/28/25/89/983282589.db2.gz	MDQHQHBKXVRPSN-CYBMUJFWSA-N	1	0	369.874	1.730	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)OC[C@@]3(C)C[C@H](OC)C[N@@H+]3C)cc2C1=O	ZINC000861341054	983692404	/nfs/dbraw/zinc/69/24/04/983692404.db2.gz	MTJFBCWJSDISGR-VBKZILBWSA-N	1	0	372.421	1.735	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)C(=O)N(C)C[C@H](C)[NH3+]	ZINC000861544813	983773070	/nfs/dbraw/zinc/77/30/70/983773070.db2.gz	QJXPTAYMEBRUTE-JTQLQIEISA-N	1	0	370.247	1.758	20	30		FDEDRO
N#Cc1cccnc1NCCNC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1	ZINC000861565439	983780437	/nfs/dbraw/zinc/78/04/37/983780437.db2.gz	UEXYQTQSVQITDK-OLZOCXBDSA-N	1	0	370.379	1.534	20	30		FDEDRO
C#C[C@H](CO)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1	ZINC000861884743	983973675	/nfs/dbraw/zinc/97/36/75/983973675.db2.gz	PQFGGFHIQLNPFI-BRWVUGGUSA-N	1	0	355.463	1.469	20	30		FDEDRO
C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C[C@H]21	ZINC000861912326	983989789	/nfs/dbraw/zinc/98/97/89/983989789.db2.gz	PHWPVRXYMCERLP-BARDWOONSA-N	1	0	350.463	1.592	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1	ZINC000862092217	984105525	/nfs/dbraw/zinc/10/55/25/984105525.db2.gz	UFQZXOFNVNMZLT-INIZCTEOSA-N	1	0	373.428	1.909	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1	ZINC000862189958	984222167	/nfs/dbraw/zinc/22/21/67/984222167.db2.gz	GXWNJTBGHMWKCI-GOSISDBHSA-N	1	0	371.481	1.808	20	30		FDEDRO
C#CC[C@@H](COC)[NH2+]C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1	ZINC000862551066	984410388	/nfs/dbraw/zinc/41/03/88/984410388.db2.gz	QOWAKOMWEBIDJQ-HOTGVXAUSA-N	1	0	367.490	1.378	20	30		FDEDRO
N#CCNC(=O)C[NH+]1CCC([C@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1	ZINC000795034474	984574186	/nfs/dbraw/zinc/57/41/86/984574186.db2.gz	TYRTUTQUXJNKKB-QZTJIDSGSA-N	1	0	370.453	1.653	20	30		FDEDRO
N#CCNC(=O)CNC(=O)NCCC1CC[NH+](Cc2ccccc2)CC1	ZINC000868946035	984712545	/nfs/dbraw/zinc/71/25/45/984712545.db2.gz	KCISIRKUZIYYFF-UHFFFAOYSA-N	1	0	357.458	1.228	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000884855355	984892323	/nfs/dbraw/zinc/89/23/23/984892323.db2.gz	DNCVAWHRAPFCPN-ULQDDVLXSA-N	1	0	365.518	1.840	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1	ZINC000884960585	985007265	/nfs/dbraw/zinc/00/72/65/985007265.db2.gz	XVIRMMWEUZSPLC-KBPBESRZSA-N	1	0	363.439	1.250	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc3cnn(CC(=O)OC)c3c2)CC1	ZINC000885570908	985478646	/nfs/dbraw/zinc/47/86/46/985478646.db2.gz	JLTUDSJTKUNGKL-UHFFFAOYSA-N	1	0	354.410	1.493	20	30		FDEDRO
C[C@@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000885845976	985692707	/nfs/dbraw/zinc/69/27/07/985692707.db2.gz	XIOTZZKREYJSLY-CYBMUJFWSA-N	1	0	360.414	1.992	20	30		FDEDRO
N#CC1(C[C@H](O)CN2CCC[N@H+](C[C@@H](O)CC3(C#N)CCC3)CC2)CCC1	ZINC000885940668	985791208	/nfs/dbraw/zinc/79/12/08/985791208.db2.gz	OUTHXTCNLOSOBC-OALUTQOASA-N	1	0	374.529	1.884	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)Cn1ccc(Br)cc1=O	ZINC000870245197	985835374	/nfs/dbraw/zinc/83/53/74/985835374.db2.gz	QQNUAORWTWXEOP-ZDUSSCGKSA-N	1	0	369.259	1.888	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@@H+]2CC[C@H](N3CC(=O)Nc4ccccc43)C2)CCC1	ZINC000886134340	985923497	/nfs/dbraw/zinc/92/34/97/985923497.db2.gz	PKUMNXRREQSRDW-JKSUJKDBSA-N	1	0	354.454	1.964	20	30		FDEDRO
C#CC[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)C1	ZINC000886360171	986096860	/nfs/dbraw/zinc/09/68/60/986096860.db2.gz	QTSYWUFSUNWFRI-HNNXBMFYSA-N	1	0	363.483	1.529	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C)C[C@@H]1Cc1ccccc1	ZINC000653434686	1015199003	/nfs/dbraw/zinc/19/90/03/1015199003.db2.gz	IYNKJCSIRMHMBD-FHWLQOOXSA-N	1	0	371.481	1.079	20	30		FDEDRO
C#CCN(C(=O)c1cc(C)n(-c2nc(C)cc(C)n2)n1)C1CC[NH+](C)CC1	ZINC000886578716	986379774	/nfs/dbraw/zinc/37/97/74/986379774.db2.gz	IYGZUZPWNRIDRP-UHFFFAOYSA-N	1	0	366.469	1.757	20	30		FDEDRO
C#CCN(C(=O)c1c[nH]c(=O)c(Br)c1)C1CC[NH+](C)CC1	ZINC000886580909	986380963	/nfs/dbraw/zinc/38/09/63/986380963.db2.gz	CBPRDODHRVSVMV-UHFFFAOYSA-N	1	0	352.232	1.719	20	30		FDEDRO
C#CCN(C(=O)c1cc(N2CCNC2=O)ccc1F)C1CC[NH+](C)CC1	ZINC000886581211	986383314	/nfs/dbraw/zinc/38/33/14/986383314.db2.gz	NUHZVFYBRRDLFT-UHFFFAOYSA-N	1	0	358.417	1.525	20	30		FDEDRO
C#CCN(C(=O)[C@@H](C)NC(=O)c1[nH]nc2ccccc21)C1CC[NH+](C)CC1	ZINC000886582521	986386560	/nfs/dbraw/zinc/38/65/60/986386560.db2.gz	YEINPKRNSGNUNO-CQSZACIVSA-N	1	0	367.453	1.237	20	30		FDEDRO
C#CCN(C(=O)Cn1cc(Br)ccc1=O)C1CC[NH+](C)CC1	ZINC000886583338	986388475	/nfs/dbraw/zinc/38/84/75/986388475.db2.gz	MEIXLUZJCVMSCY-UHFFFAOYSA-N	1	0	366.259	1.167	20	30		FDEDRO
C#CCN(C(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1)C1CC[NH+](C)CC1	ZINC000886583591	986389245	/nfs/dbraw/zinc/38/92/45/986389245.db2.gz	WNSXEIRDCZPCKQ-IRXDYDNUSA-N	1	0	370.497	1.865	20	30		FDEDRO
C#CCN(C(=O)Cn1cnc2sc(C)c(C)c2c1=O)C1CC[NH+](C)CC1	ZINC000886585250	986389790	/nfs/dbraw/zinc/38/97/90/986389790.db2.gz	NZOJUPDGADGWDJ-UHFFFAOYSA-N	1	0	372.494	1.631	20	30		FDEDRO
C#CCN(C(=O)CCc1nc(-c2ccncc2)no1)C1CC[NH+](C)CC1	ZINC000886585418	986390771	/nfs/dbraw/zinc/39/07/71/986390771.db2.gz	VZLWHRBFLZTDPA-UHFFFAOYSA-N	1	0	353.426	1.620	20	30		FDEDRO
C#CCN(C(=O)CCn1c2ccccc2c(=O)[nH]c1=O)C1CC[NH+](C)CC1	ZINC000886585389	986391123	/nfs/dbraw/zinc/39/11/23/986391123.db2.gz	UQJCAOUYOOUVEU-UHFFFAOYSA-N	1	0	368.437	1.048	20	30		FDEDRO
C#CCN(C(=O)CN1C(=O)c2ccc(C)cc2C1=O)C1CC[NH+](C)CC1	ZINC000886587228	986392531	/nfs/dbraw/zinc/39/25/31/986392531.db2.gz	MTIPDTVJBQWXND-UHFFFAOYSA-N	1	0	353.422	1.147	20	30		FDEDRO
C=C[C@@H](CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1	ZINC000870997989	986572283	/nfs/dbraw/zinc/57/22/83/986572283.db2.gz	CDGOYTADASEGEF-OWLYRPNTSA-N	1	0	355.438	1.740	20	30		FDEDRO
C=CCC1(O)CC[NH+](CC(=O)N2CCN(Cc3ccsc3)CC2)CC1	ZINC000886774082	986578327	/nfs/dbraw/zinc/57/83/27/986578327.db2.gz	HLMZBLPEQWEVFO-UHFFFAOYSA-N	1	0	363.527	1.795	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@@H]([C@@H]4CCCO4)C3)CC2)o1	ZINC000886824978	986616159	/nfs/dbraw/zinc/61/61/59/986616159.db2.gz	KFIVZMZXBPUIQI-WBVHZDCISA-N	1	0	373.457	1.004	20	30		FDEDRO
COc1cc(C#N)ccc1Cn1cnc2c(cnn2C2CC[NH2+]CC2)c1=O	ZINC000871678157	987192638	/nfs/dbraw/zinc/19/26/38/987192638.db2.gz	WHWSEELZIUACNR-UHFFFAOYSA-N	1	0	364.409	1.446	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSCc2ccc(C#N)o2)C1	ZINC000871707964	987203423	/nfs/dbraw/zinc/20/34/23/987203423.db2.gz	BQCBBXVDGOMWNZ-MRXNPFEDSA-N	1	0	351.472	1.857	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c(C#N)c1	ZINC000871806268	987251012	/nfs/dbraw/zinc/25/10/12/987251012.db2.gz	ZXSJQHROWBAARO-WMZOPIPTSA-N	1	0	363.483	1.774	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Cl	ZINC000871814171	987266768	/nfs/dbraw/zinc/26/67/68/987266768.db2.gz	QFODAJHOWFONFU-ONGXEEELSA-N	1	0	367.780	1.969	20	30		FDEDRO
C#CCC[NH+]1CCC(NS(=O)(=O)c2cn(C)nc2C(C)(C)C)CC1	ZINC000872006842	987439030	/nfs/dbraw/zinc/43/90/30/987439030.db2.gz	XYBLFOZESGERKM-UHFFFAOYSA-N	1	0	352.504	1.484	20	30		FDEDRO
C#C[C@H]1CC[C@H]([NH2+]C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CC1	ZINC000872250837	987542066	/nfs/dbraw/zinc/54/20/66/987542066.db2.gz	LGROGGKOOBGGPZ-SFHLNBCPSA-N	1	0	371.525	1.960	20	30		FDEDRO
C[NH+]1CCC(CN=Nc2ccc(S(=O)(=O)N3CCCC3)cn2)CC1	ZINC000872342375	987612521	/nfs/dbraw/zinc/61/25/21/987612521.db2.gz	MYVNOFQNLHZQJG-UHFFFAOYSA-N	1	0	351.476	1.606	20	30		FDEDRO
C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](CC)CC1	ZINC000292929040	987935920	/nfs/dbraw/zinc/93/59/20/987935920.db2.gz	KHTUAPGJFSUBDI-UHFFFAOYSA-N	1	0	355.446	1.643	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1C#N	ZINC000293160979	987979787	/nfs/dbraw/zinc/97/97/87/987979787.db2.gz	IKKOYKGRFXHDCI-HXUWFJFHSA-N	1	0	370.453	1.838	20	30		FDEDRO
C=CCc1cc(C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)c(O)c(OC)c1	ZINC000872796445	988077925	/nfs/dbraw/zinc/07/79/25/988077925.db2.gz	SBPOVEUJEBJPQM-ZBFHGGJFSA-N	1	0	351.468	1.996	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(Oc2ccccn2)c1	ZINC000293497084	988091834	/nfs/dbraw/zinc/09/18/34/988091834.db2.gz	WVKGNXCIFQKBJM-UHFFFAOYSA-N	1	0	366.421	1.884	20	30		FDEDRO
CN(C)C(=O)CCCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000299119879	988140740	/nfs/dbraw/zinc/14/07/40/988140740.db2.gz	DESMLUSBEZRIKA-UHFFFAOYSA-N	1	0	359.474	1.500	20	30		FDEDRO
COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CC(=O)Nc2cccc(C#N)c2)C1	ZINC000299163801	988185366	/nfs/dbraw/zinc/18/53/66/988185366.db2.gz	MVPISNMVOJIXJO-HOCLYGCPSA-N	1	0	358.442	1.360	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@@H]([NH2+][C@H]2CCCN(c3ccncn3)C2)C1=O	ZINC000365920010	988227826	/nfs/dbraw/zinc/22/78/26/988227826.db2.gz	CZGWBISJJTWQDI-LSDHHAIUSA-N	1	0	368.466	1.774	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C[N@@H+]1C1CC1	ZINC000872932918	988304022	/nfs/dbraw/zinc/30/40/22/988304022.db2.gz	RVHHFMXTHGKXGU-GDBMZVCRSA-N	1	0	354.458	1.410	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC000872965890	988347301	/nfs/dbraw/zinc/34/73/01/988347301.db2.gz	NTLZVYBDOSRKTE-INIZCTEOSA-N	1	0	351.491	1.153	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccc(CCOC)cc2)C1=O	ZINC000294239744	988353424	/nfs/dbraw/zinc/35/34/24/988353424.db2.gz	UCDUJXDZVKYDJA-HKUYNNGSSA-N	1	0	362.470	1.334	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(Cc3ccc(C#N)cc3)C(=O)C2)CC1	ZINC000361430430	988378053	/nfs/dbraw/zinc/37/80/53/988378053.db2.gz	UBOMSGCSUPBNMU-UHFFFAOYSA-N	1	0	364.449	1.074	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1	ZINC000361450606	988383944	/nfs/dbraw/zinc/38/39/44/988383944.db2.gz	BTFLDLHOROAUSX-MRXNPFEDSA-N	1	0	373.428	1.863	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1F	ZINC000873103753	988553960	/nfs/dbraw/zinc/55/39/60/988553960.db2.gz	GRAKTNQGXZPFDU-ONGXEEELSA-N	1	0	358.295	1.231	20	30		FDEDRO
Cc1cnn(C2CC[NH+](CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2)c1	ZINC000362307286	988630261	/nfs/dbraw/zinc/63/02/61/988630261.db2.gz	VBRSUUHBXXZDAE-IBGZPJMESA-N	1	0	372.517	1.521	20	30		FDEDRO
COC[C@]1(C(=O)OC)CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1	ZINC000295243701	988638641	/nfs/dbraw/zinc/63/86/41/988638641.db2.gz	YJOXYQUFNIGLIC-JXFKEZNVSA-N	1	0	373.453	1.833	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1	ZINC000366832145	988803213	/nfs/dbraw/zinc/80/32/13/988803213.db2.gz	PULVRXFEBVHUKE-PEYYIBSZSA-N	1	0	362.405	1.087	20	30		FDEDRO
CN(C(=O)CN1CCC(NC(=O)c2ccc[nH]2)CC1)C1(C#N)CCCCC1	ZINC000363202388	988989602	/nfs/dbraw/zinc/98/96/02/988989602.db2.gz	QSXUHICPRAGNEH-UHFFFAOYSA-N	1	0	371.485	1.894	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(NC(=O)c3cccn3C)CC2)CC1	ZINC000368867295	989013499	/nfs/dbraw/zinc/01/34/99/989013499.db2.gz	QEHXTBYBOLCORO-UHFFFAOYSA-N	1	0	356.470	1.091	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C[C@@H]2CCC[N@@H+](CC)[C@H]2c2cnn(C)c2)C1=O	ZINC000369070191	989024397	/nfs/dbraw/zinc/02/43/97/989024397.db2.gz	HGUDVCRMAURFDV-YTQUADARSA-N	1	0	359.518	1.912	20	30		FDEDRO
CCC(CC)[C@@H](CNC(=O)C(=O)Nc1ccc(OC)c(C#N)c1)[NH+](C)C	ZINC000873716160	989048570	/nfs/dbraw/zinc/04/85/70/989048570.db2.gz	GFRBVACXDMWWEH-MRXNPFEDSA-N	1	0	360.458	1.988	20	30		FDEDRO
CCC(CC)[C@H](CNC(=O)C(=O)Nc1ccc(OC)c(C#N)c1)[NH+](C)C	ZINC000873716159	989048927	/nfs/dbraw/zinc/04/89/27/989048927.db2.gz	GFRBVACXDMWWEH-INIZCTEOSA-N	1	0	360.458	1.988	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)CC1	ZINC000369593524	989062231	/nfs/dbraw/zinc/06/22/31/989062231.db2.gz	UTUBEEABLAGDCP-INIZCTEOSA-N	1	0	369.465	1.652	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cn(C)nc1C1CCCCC1	ZINC000296243470	989066011	/nfs/dbraw/zinc/06/60/11/989066011.db2.gz	NYUFJPZALVWRNX-UHFFFAOYSA-N	1	0	359.474	1.478	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)c1cccc(N2CCOC2=O)c1	ZINC000296330961	989126227	/nfs/dbraw/zinc/12/62/27/989126227.db2.gz	LPYUDPPEQHWZIL-OAHLLOKOSA-N	1	0	358.442	1.959	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)CC1	ZINC000369757395	989148592	/nfs/dbraw/zinc/14/85/92/989148592.db2.gz	LVOHQZXJEJNXRV-IBGZPJMESA-N	1	0	353.466	1.895	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)cc1C#N	ZINC000873778239	989165686	/nfs/dbraw/zinc/16/56/86/989165686.db2.gz	QARFZHFSHNZJKZ-UHFFFAOYSA-N	1	0	358.442	1.742	20	30		FDEDRO
C[NH+](C)[C@H]1CCc2ccccc2[C@H]1NC(=O)Nc1ccn(CCC#N)n1	ZINC000363424681	989188019	/nfs/dbraw/zinc/18/80/19/989188019.db2.gz	UCKCCMNCUBJSDL-FUHWJXTLSA-N	1	0	352.442	2.536	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1	ZINC000296522514	989260018	/nfs/dbraw/zinc/26/00/18/989260018.db2.gz	PAAWSVUHEQUERU-SFHVURJKSA-N	1	0	356.470	1.289	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)NCCc1c(OC)cc(OC)cc1OC	ZINC000296533272	989267926	/nfs/dbraw/zinc/26/79/26/989267926.db2.gz	DPWQQOSSZCCOCP-UHFFFAOYSA-N	1	0	363.458	1.509	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)C1	ZINC000369937784	989324447	/nfs/dbraw/zinc/32/44/47/989324447.db2.gz	RIIDMMISLYDYOC-QZTJIDSGSA-N	1	0	371.485	1.315	20	30		FDEDRO
CC(C)OCC[NH+]1CCC(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1	ZINC000363593692	989331599	/nfs/dbraw/zinc/33/15/99/989331599.db2.gz	PXBNZQYPRSNYAF-GOSISDBHSA-N	1	0	363.506	1.258	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@]2(N(C)C)CCOc3ccccc32)CC1	ZINC000370026259	989396227	/nfs/dbraw/zinc/39/62/27/989396227.db2.gz	LXQIFCPIOFUMKT-NRFANRHFSA-N	1	0	355.482	1.830	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1CCN(C(=O)c2ccc(OC)cc2)CC1	ZINC000296917397	989449810	/nfs/dbraw/zinc/44/98/10/989449810.db2.gz	OBVXVEQATUBHDA-UHFFFAOYSA-N	1	0	372.469	1.118	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc2c1OCCC2	ZINC000363867742	989451576	/nfs/dbraw/zinc/45/15/76/989451576.db2.gz	SNBOUGVNGGVNMP-UHFFFAOYSA-N	1	0	358.442	1.644	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCCCC(=O)N1Cc2ccccc2C1	ZINC000296970541	989454318	/nfs/dbraw/zinc/45/43/18/989454318.db2.gz	RKGAGDNXRCXYHG-UHFFFAOYSA-N	1	0	356.470	1.563	20	30		FDEDRO
C[C@H]1CN(CC(=O)Nc2ccc(C#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000370151357	989497386	/nfs/dbraw/zinc/49/73/86/989497386.db2.gz	VOHXGWIHYZBNHX-LPHOPBHVSA-N	1	0	355.486	1.455	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCC(NC(=O)Nc2ccccc2)CC1	ZINC000297448670	989536745	/nfs/dbraw/zinc/53/67/45/989536745.db2.gz	JPYSYSVSZHLYRI-UHFFFAOYSA-N	1	0	371.485	1.937	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCn2c(nnc2-c2ccccc2)C1	ZINC000297462220	989540869	/nfs/dbraw/zinc/54/08/69/989540869.db2.gz	KWALPHUSESAJNV-UHFFFAOYSA-N	1	0	352.442	1.425	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)NCC2(O)CC[NH+](C(C)C)CC2)cc1	ZINC000297489534	989548833	/nfs/dbraw/zinc/54/88/33/989548833.db2.gz	LVHJWJNKUUENBN-UHFFFAOYSA-N	1	0	359.470	1.733	20	30		FDEDRO
CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1	ZINC000364391209	989557380	/nfs/dbraw/zinc/55/73/80/989557380.db2.gz	YVQWWLKNTOYWCQ-RBUKOAKNSA-N	1	0	368.481	1.992	20	30		FDEDRO
Cc1cc(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)nn1-c1cccc(C#N)c1	ZINC000364511917	989606738	/nfs/dbraw/zinc/60/67/38/989606738.db2.gz	ZRVYZMRZFYHBML-GOSISDBHSA-N	1	0	362.437	2.530	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCc2nccn2C1	ZINC000364527706	989625919	/nfs/dbraw/zinc/62/59/19/989625919.db2.gz	ALNNGLQMAPWPLE-SFHVURJKSA-N	1	0	351.454	1.908	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCC3(CC2)CC[NH+](C)CC3)cc1C#N	ZINC000874016445	989644134	/nfs/dbraw/zinc/64/41/34/989644134.db2.gz	XHAQYHHTFYIRFC-UHFFFAOYSA-N	1	0	370.453	1.840	20	30		FDEDRO
C#Cc1ccc(CNC(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1	ZINC000297712581	989652448	/nfs/dbraw/zinc/65/24/48/989652448.db2.gz	RYCPKAWZHSPHPF-HXUWFJFHSA-N	1	0	354.498	1.979	20	30		FDEDRO
C[C@@H](C#N)CN(C)C(=O)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1	ZINC000297740643	989668074	/nfs/dbraw/zinc/66/80/74/989668074.db2.gz	OTMKUEHZZNWAAV-KRWDZBQOSA-N	1	0	370.497	1.975	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCN(C(=O)c3ccncc3)C2)CC1	ZINC000370521926	989806730	/nfs/dbraw/zinc/80/67/30/989806730.db2.gz	JEIVFQYTGSFZJG-SFHVURJKSA-N	1	0	371.485	1.636	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)nc1	ZINC000874156029	989816993	/nfs/dbraw/zinc/81/69/93/989816993.db2.gz	IRNLWZSRDXNLLE-INIZCTEOSA-N	1	0	355.442	1.805	20	30		FDEDRO
C[C@@H](CO)[N@@H+]1CCCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000364958532	989916737	/nfs/dbraw/zinc/91/67/37/989916737.db2.gz	ZURAGNCFEHUSGM-LPHOPBHVSA-N	1	0	356.470	1.442	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@@H](O)C1	ZINC000968676536	1015520292	/nfs/dbraw/zinc/52/02/92/1015520292.db2.gz	NGJBTNMRELZDHG-IKGGRYGDSA-N	1	0	365.518	1.397	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c(F)cc1C#N	ZINC000874365300	990184352	/nfs/dbraw/zinc/18/43/52/990184352.db2.gz	DBZOHNMLTXAANZ-GJZGRUSLSA-N	1	0	360.389	1.340	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1	ZINC000371475148	990457952	/nfs/dbraw/zinc/45/79/52/990457952.db2.gz	XPXLYFLKDDPCBU-UHFFFAOYSA-N	1	0	367.493	1.887	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCn2cc(Cl)cn2)C1	ZINC000968719303	1015567985	/nfs/dbraw/zinc/56/79/85/1015567985.db2.gz	PWRDQXHKSYNCSH-OAGGEKHMSA-N	1	0	352.866	1.708	20	30		FDEDRO
C[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)C(=O)NC1(C#N)CCCCC1	ZINC000371613384	990570009	/nfs/dbraw/zinc/57/00/09/990570009.db2.gz	FDLOFZXEQNGYCE-HOTGVXAUSA-N	1	0	356.474	1.766	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000371639939	990591627	/nfs/dbraw/zinc/59/16/27/990591627.db2.gz	ZVHXCOJHWKMTKW-WZYMTQMTSA-N	1	0	370.453	1.905	20	30		FDEDRO
COC(C[N@H+](CCCO)Cc1cn(C)nc1-c1ccc(C#N)cc1)OC	ZINC000371899993	990811456	/nfs/dbraw/zinc/81/14/56/990811456.db2.gz	TXCDYBOQKGKSBB-UHFFFAOYSA-N	1	0	358.442	1.762	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000875088740	990870985	/nfs/dbraw/zinc/87/09/85/990870985.db2.gz	DRAXLIGRKLLZJW-RBUKOAKNSA-N	1	0	371.481	1.312	20	30		FDEDRO
C[C@]1(C2CC[NH+](CCCOc3cccc(C#N)c3)CC2)NC(=O)NC1=O	ZINC000372007423	990889411	/nfs/dbraw/zinc/88/94/11/990889411.db2.gz	VTIGZVQHJXNMQU-LJQANCHMSA-N	1	0	356.426	1.637	20	30		FDEDRO
CN1CCC[C@@]2(CC[N@@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)C1=O	ZINC000372552131	991205255	/nfs/dbraw/zinc/20/52/55/991205255.db2.gz	JEMHQBDUKZDQSK-XLIONFOSSA-N	1	0	352.438	1.608	20	30		FDEDRO
CN(C(=O)C(=O)Nc1cccc(C#N)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000372602227	991257566	/nfs/dbraw/zinc/25/75/66/991257566.db2.gz	WDHVYRRNPLJWKC-SFHVURJKSA-N	1	0	369.469	1.124	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@@H]1CO	ZINC000372651707	991299514	/nfs/dbraw/zinc/29/95/14/991299514.db2.gz	KFLRDFRCFFQXAE-DLBZAZTESA-N	1	0	370.453	1.253	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)c1C#N	ZINC000372662878	991318144	/nfs/dbraw/zinc/31/81/44/991318144.db2.gz	HDSXCMJQIUZVIG-HOTGVXAUSA-N	1	0	370.453	1.253	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1	ZINC000875598845	991786387	/nfs/dbraw/zinc/78/63/87/991786387.db2.gz	LYSAZVUIQVXPSR-RTBURBONSA-N	1	0	371.481	1.264	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1	ZINC000875600714	991788711	/nfs/dbraw/zinc/78/87/11/991788711.db2.gz	UBNLAUZCACBEFN-QGZVFWFLSA-N	1	0	351.491	1.110	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1Cc2cccnc2N2C[C@@H](OC)C[C@@H]2C1	ZINC000875622451	991819035	/nfs/dbraw/zinc/81/90/35/991819035.db2.gz	IKVBPYKCWNCSIG-MSOLQXFVSA-N	1	0	371.485	1.156	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1Cc2cccnc2N2C[C@H](OC)C[C@@H]2C1	ZINC000875622452	991819294	/nfs/dbraw/zinc/81/92/94/991819294.db2.gz	IKVBPYKCWNCSIG-QZTJIDSGSA-N	1	0	371.485	1.156	20	30		FDEDRO
CC(C)C1CCC([NH+]2CCN(C(=O)C(=O)N(C)C[C@H](C)C#N)CC2)CC1	ZINC000410843615	991936248	/nfs/dbraw/zinc/93/62/48/991936248.db2.gz	AHGAFNPOHRWWSJ-WWDZGPRUSA-N	1	0	362.518	1.963	20	30		FDEDRO
C#C[C@H](NC(=O)N(CCOC)CC1CC[NH+](C)CC1)C1CCOCC1	ZINC000875747315	991967921	/nfs/dbraw/zinc/96/79/21/991967921.db2.gz	IKVHGZLYQZINEO-SFHVURJKSA-N	1	0	351.491	1.415	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000875918253	992190620	/nfs/dbraw/zinc/19/06/20/992190620.db2.gz	NTQBYHWPBVXGMD-KZNAEPCWSA-N	1	0	350.507	1.082	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1	ZINC000875919169	992191324	/nfs/dbraw/zinc/19/13/24/992191324.db2.gz	COIHFWLSVREDIX-GBESFXJTSA-N	1	0	364.534	1.615	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000875923675	992197750	/nfs/dbraw/zinc/19/77/50/992197750.db2.gz	CZDGMQPZSZQVMP-AZUAARDMSA-N	1	0	359.470	1.303	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)c1	ZINC000373798044	992448293	/nfs/dbraw/zinc/44/82/93/992448293.db2.gz	CPYUUBBENIPVDJ-INIZCTEOSA-N	1	0	351.410	1.157	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CC[NH+](CC3CCOCC3)CC1)C2	ZINC000876279000	992518887	/nfs/dbraw/zinc/51/88/87/992518887.db2.gz	LSHAENHVLLNPBZ-FQEVSTJZSA-N	1	0	368.481	1.779	20	30		FDEDRO
COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1ccc(C(C)(C)C#N)cc1	ZINC000876475381	992648285	/nfs/dbraw/zinc/64/82/85/992648285.db2.gz	KPABFVAPNOGNJC-FQEVSTJZSA-N	1	0	359.470	1.907	20	30		FDEDRO
COC[C@]1(C[NH+](C)C)COCCN1C(=O)C[C@H](CC#N)c1ccccc1	ZINC000876477048	992652254	/nfs/dbraw/zinc/65/22/54/992652254.db2.gz	ZZFUQSLGIXDSSS-AZUAARDMSA-N	1	0	359.470	1.880	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])s1	ZINC000876510889	992674394	/nfs/dbraw/zinc/67/43/94/992674394.db2.gz	YVOPHHPKMPTGCJ-OCCSQVGLSA-N	1	0	371.528	1.483	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cc(S(=O)(=O)N(C)C)cc(C)c1C	ZINC000876563472	992707360	/nfs/dbraw/zinc/70/73/60/992707360.db2.gz	IHQDCLHMRVKWRF-ZDUSSCGKSA-N	1	0	359.879	1.962	20	30		FDEDRO
COC(=O)[C@@H]1CN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC[N@H+](C)C1	ZINC000411924708	992708673	/nfs/dbraw/zinc/70/86/73/992708673.db2.gz	YDVSSDDCFSEOCN-JSGCOSHPSA-N	1	0	362.430	1.132	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1	ZINC000876573548	992712872	/nfs/dbraw/zinc/71/28/72/992712872.db2.gz	UXBRRALGIVGQKS-OAHLLOKOSA-N	1	0	351.834	1.245	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)c(OC)c1	ZINC000411936569	992713090	/nfs/dbraw/zinc/71/30/90/992713090.db2.gz	LSOLWDLIGHLFJU-DLBZAZTESA-N	1	0	362.470	1.574	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](CC)c1ccccc1OCC(=O)NC	ZINC000876593868	992727362	/nfs/dbraw/zinc/72/73/62/992727362.db2.gz	JIEFQKHFIKDYFI-KGLIPLIRSA-N	1	0	353.850	1.849	20	30		FDEDRO
N#CC1(NC(=O)C[N@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)CCCCC1	ZINC000411962150	992742295	/nfs/dbraw/zinc/74/22/95/992742295.db2.gz	AYTHFSNSHPDZED-HXUWFJFHSA-N	1	0	354.454	1.458	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1	ZINC000876621046	992747777	/nfs/dbraw/zinc/74/77/77/992747777.db2.gz	UAZGVCJZDDHSLG-GJZGRUSLSA-N	1	0	351.834	1.890	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C(=O)C2CCN(c3cc[nH+]cc3C)CC2)C1=O	ZINC000374279427	992750804	/nfs/dbraw/zinc/75/08/04/992750804.db2.gz	KDHFQNSVDQPKIK-SFHVURJKSA-N	1	0	356.470	1.852	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(C)c(N2CCCS2(=O)=O)c1	ZINC000876676215	992787411	/nfs/dbraw/zinc/78/74/11/992787411.db2.gz	VKPGFKXYGQARTI-CYBMUJFWSA-N	1	0	357.863	1.943	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)CC2)CC[N@@H+]1C	ZINC000964937781	1015734817	/nfs/dbraw/zinc/73/48/17/1015734817.db2.gz	XCZXYHMCONGUIO-IJEWVQPXSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(c2ccc(C(=O)OCC)cn2)CC1	ZINC000876874980	992944781	/nfs/dbraw/zinc/94/47/81/992944781.db2.gz	ONILBKJUBRIKNG-CQSZACIVSA-N	1	0	366.849	1.377	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1	ZINC000876894798	992954241	/nfs/dbraw/zinc/95/42/41/992954241.db2.gz	XLBOGCZYBLTWPM-HZPDHXFCSA-N	1	0	365.861	1.043	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCn2c(Cc3ccccc3F)nnc2C1	ZINC000876947216	992978527	/nfs/dbraw/zinc/97/85/27/992978527.db2.gz	ZMRQQPZHXRZTGG-CQSZACIVSA-N	1	0	363.824	1.820	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)cc1	ZINC000375064164	992989109	/nfs/dbraw/zinc/98/91/09/992989109.db2.gz	HQJXFWVAVAJOCD-RHSMWYFYSA-N	1	0	370.453	1.094	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCc2c(cccc2C(N)=O)C1	ZINC000876978003	992993563	/nfs/dbraw/zinc/99/35/63/992993563.db2.gz	IWHSEYTYWYIDPX-IBGZPJMESA-N	1	0	360.417	1.429	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCO[C@H](CC(F)(F)F)C1	ZINC000876978085	992993910	/nfs/dbraw/zinc/99/39/10/992993910.db2.gz	FSWQHCYSVXWZCM-HIFRSBDPSA-N	1	0	353.344	1.925	20	30		FDEDRO
CC(C)(C)OC(=O)N1[C@@H](C[NH2+]C2CCN(CC#N)CC2)COC1(C)C	ZINC000877013652	993009947	/nfs/dbraw/zinc/00/99/47/993009947.db2.gz	UVZZNRNIMOYRGE-HNNXBMFYSA-N	1	0	352.479	1.936	20	30		FDEDRO
CC(C)(C)NS(=O)(=O)C1(C[NH2+]Cc2ccc(OCC#N)cc2)CC1	ZINC000877023855	993017362	/nfs/dbraw/zinc/01/73/62/993017362.db2.gz	HUPYZUYQDAVYQD-UHFFFAOYSA-N	1	0	351.472	1.929	20	30		FDEDRO
COC(=O)c1cn([C@H]2CC[N@H+](CCOc3ccc(C#N)cc3OC)C2)nn1	ZINC000375193692	993023146	/nfs/dbraw/zinc/02/31/46/993023146.db2.gz	PQQPVXYTPPSEDT-AWEZNQCLSA-N	1	0	371.397	1.271	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(CC[N@@H+]2CCCOCC2)CC1	ZINC000375332791	993078096	/nfs/dbraw/zinc/07/80/96/993078096.db2.gz	DERDWOAKCLAXMC-IBGZPJMESA-N	1	0	366.550	1.139	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCc2c(CC(N)=O)cccc2C1	ZINC000877176805	993089422	/nfs/dbraw/zinc/08/94/22/993089422.db2.gz	TUORDAPDZPXUIP-OAQYLSRUSA-N	1	0	374.444	1.358	20	30		FDEDRO
C[NH+]1CCC(n2cc(NC(=O)[C@@H]3NCCc4cc(C#N)ccc43)cn2)CC1	ZINC000877196377	993098504	/nfs/dbraw/zinc/09/85/04/993098504.db2.gz	YGDALEMZYJZIHM-LJQANCHMSA-N	1	0	364.453	1.847	20	30		FDEDRO
Cc1cc(NCCCC[NH+]2CCN(CCO)CC2)c(C#N)cc1[N+](=O)[O-]	ZINC000413138561	993115233	/nfs/dbraw/zinc/11/52/33/993115233.db2.gz	JGBAHRZWVQUGKY-UHFFFAOYSA-N	1	0	361.446	1.577	20	30		FDEDRO
Cc1ccccc1CN1CCO[C@H](CNC(=O)C#CC2CC[NH2+]CC2)C1	ZINC000877228885	993120453	/nfs/dbraw/zinc/12/04/53/993120453.db2.gz	FHQHFCVQSNGKJL-HXUWFJFHSA-N	1	0	355.482	1.315	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CCCC[C@H]1N1CCOCC1)C(=O)NC1(C#N)CCCCC1	ZINC000375470359	993165295	/nfs/dbraw/zinc/16/52/95/993165295.db2.gz	JJYZKYMCUFIAFU-RCCFBDPRSA-N	1	0	362.518	1.951	20	30		FDEDRO
Cc1cc(N2CCC(O)(C[NH+]3CCOCC3)CC2)c(C#N)cc1[N+](=O)[O-]	ZINC000413228552	993168626	/nfs/dbraw/zinc/16/86/26/993168626.db2.gz	GVQUJGSJRVIANN-UHFFFAOYSA-N	1	0	360.414	1.438	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)ccc1F	ZINC000877285691	993177978	/nfs/dbraw/zinc/17/79/78/993177978.db2.gz	WWRUVKWEAJEDHP-CABCVRRESA-N	1	0	367.446	1.257	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC000877296473	993193545	/nfs/dbraw/zinc/19/35/45/993193545.db2.gz	GBYCBHILCHNQQR-FQEVSTJZSA-N	1	0	372.432	1.361	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)CC2)cn1	ZINC000877296912	993193877	/nfs/dbraw/zinc/19/38/77/993193877.db2.gz	LIHSWJZSFYTMFD-GOSISDBHSA-N	1	0	365.441	1.037	20	30		FDEDRO
COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cc(C#N)ccc3N(C)C)C2)nn1	ZINC000877352992	993239017	/nfs/dbraw/zinc/23/90/17/993239017.db2.gz	IOAIFZJCWLCAHD-OAHLLOKOSA-N	1	0	354.414	1.449	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCO[C@@H](C(F)(F)F)CC1	ZINC000877382680	993263908	/nfs/dbraw/zinc/26/39/08/993263908.db2.gz	RYKSKSRYPHSNJB-CABCVRRESA-N	1	0	353.344	1.925	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2cc(Br)cn(C)c2=O)CC1	ZINC000930294888	993522794	/nfs/dbraw/zinc/52/27/94/993522794.db2.gz	WOTIURGEQAQRPV-UHFFFAOYSA-N	1	0	367.247	1.367	20	30		FDEDRO
C=CC[C@H](C)[NH+]1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000877923417	993556336	/nfs/dbraw/zinc/55/63/36/993556336.db2.gz	OPBMURCBFMADCS-ZDUSSCGKSA-N	1	0	351.472	1.949	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(CC)[C@@H]2c2cccnc2)CC1	ZINC000826014424	993628433	/nfs/dbraw/zinc/62/84/33/993628433.db2.gz	WDZOHXLLHDURNW-AZUAARDMSA-N	1	0	368.481	1.595	20	30		FDEDRO
CN1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)C1=O	ZINC001095587628	993647674	/nfs/dbraw/zinc/64/76/74/993647674.db2.gz	WPWHEEHAAXZNFL-YRXWBPOGSA-N	1	0	366.465	1.648	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)nc1	ZINC000965050380	1015804492	/nfs/dbraw/zinc/80/44/92/1015804492.db2.gz	UIRAADMLIKKJGD-KBAYOESNSA-N	1	0	368.481	1.514	20	30		FDEDRO
Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)ccc1=O	ZINC001095677976	993980785	/nfs/dbraw/zinc/98/07/85/993980785.db2.gz	ZAZCHVTWFLTMDK-QYZOEREBSA-N	1	0	362.433	1.792	20	30		FDEDRO
C[C@@H](CO)[N@@H+]1CCCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1	ZINC000470492141	994034737	/nfs/dbraw/zinc/03/47/37/994034737.db2.gz	LZORZOIQRFORTA-AWEZNQCLSA-N	1	0	369.429	1.059	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1OCC(N)=O)C2	ZINC001095719458	994232364	/nfs/dbraw/zinc/23/23/64/994232364.db2.gz	HUTPJDCIAZYJII-PVAVHDDUSA-N	1	0	357.454	1.852	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)CC1	ZINC000965196691	1015893457	/nfs/dbraw/zinc/89/34/57/1015893457.db2.gz	IEAMSNHEDUTEOG-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1	ZINC000965198990	1015901278	/nfs/dbraw/zinc/90/12/78/1015901278.db2.gz	VPOHPVCEHWTLRW-BBWFWOEESA-N	1	0	361.486	1.171	20	30		FDEDRO
COc1ccc([C@@H]2CN(CC(=O)NC3(C#N)CCCCC3)CC[NH2+]2)cc1	ZINC000879519837	994973145	/nfs/dbraw/zinc/97/31/45/994973145.db2.gz	YRTDHOZRDWVPMT-SFHVURJKSA-N	1	0	356.470	1.984	20	30		FDEDRO
COc1ccc([C@H]2CN(CC(=O)NC3(C#N)CCCCC3)CC[NH2+]2)cc1	ZINC000879519836	994973394	/nfs/dbraw/zinc/97/33/94/994973394.db2.gz	YRTDHOZRDWVPMT-GOSISDBHSA-N	1	0	356.470	1.984	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)CN2CCN(c3ccc(C#N)cc3)CC2)CC1	ZINC000879585559	995050945	/nfs/dbraw/zinc/05/09/45/995050945.db2.gz	INTKSGOZNVNXPE-UHFFFAOYSA-N	1	0	369.513	1.669	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)CN2CCC[C@H]([NH2+]C3CCOCC3)C2)cc1	ZINC000880206851	995721531	/nfs/dbraw/zinc/72/15/31/995721531.db2.gz	LGIXIIMDKTZQQI-VQTJNVASSA-N	1	0	373.497	1.725	20	30		FDEDRO
C[C@@H]1CN(C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)C[C@@H](C)N1CC#N	ZINC000925920321	995827607	/nfs/dbraw/zinc/82/76/07/995827607.db2.gz	SJOMIPCQYUFFFF-JFIYKMOQSA-N	1	0	358.490	1.702	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1	ZINC000925959095	995856718	/nfs/dbraw/zinc/85/67/18/995856718.db2.gz	AXAPVVZVIXNINX-CHWSQXEVSA-N	1	0	356.348	1.956	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)CCOCC1	ZINC000926142299	995934718	/nfs/dbraw/zinc/93/47/18/995934718.db2.gz	KOBJPOMSGDXNGU-WWNBULGVSA-N	1	0	350.503	1.955	20	30		FDEDRO
Cc1c(C(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)cnn1CCC#N	ZINC000926180648	995963129	/nfs/dbraw/zinc/96/31/29/995963129.db2.gz	QERZZGQWURKSNE-YWTNHNAXSA-N	1	0	359.474	1.315	20	30		FDEDRO
N#Cc1cccnc1OC1CCC([NH2+][C@H]2C(=O)NCC23CCOCC3)CC1	ZINC000926235069	995984088	/nfs/dbraw/zinc/98/40/88/995984088.db2.gz	DZXXJVXXHLLSAT-JCYILVPMSA-N	1	0	370.453	1.528	20	30		FDEDRO
N#Cc1cccc(OC2CCN(C(=O)C(=O)N3CC[C@H](CC[NH3+])C3)CC2)c1	ZINC000926309587	996045744	/nfs/dbraw/zinc/04/57/44/996045744.db2.gz	JZSXXEBGZFOQSP-HNNXBMFYSA-N	1	0	370.453	1.125	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(S(=O)(=O)CC(N)=O)cc1	ZINC000926611608	996237255	/nfs/dbraw/zinc/23/72/55/996237255.db2.gz	OBISOYNDBTXYKO-INWMFGNUSA-N	1	0	352.456	1.187	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@H]2CCN2C(=O)OC(C)(C)C)CC1	ZINC000927045077	996427086	/nfs/dbraw/zinc/42/70/86/996427086.db2.gz	NNRJYFKJVHNTIJ-OAHLLOKOSA-N	1	0	350.463	1.393	20	30		FDEDRO
C=CCN1C(=S)N=NC1c1sc(NC(=O)C[NH2+]CCOC)nc1C	ZINC000826530022	996839125	/nfs/dbraw/zinc/83/91/25/996839125.db2.gz	AGGFONIDJHEPOY-UHFFFAOYSA-N	1	0	368.488	1.359	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1	ZINC000887078713	996913829	/nfs/dbraw/zinc/91/38/29/996913829.db2.gz	BKZKIVIMGAUSIA-FQEVSTJZSA-N	1	0	354.454	1.509	20	30		FDEDRO
C#CCC1([NH2+]Cc2nnc3n2c2ccsc2c(=O)n3C)CCOCC1	ZINC000887123264	996953392	/nfs/dbraw/zinc/95/33/92/996953392.db2.gz	HLGRLRZMZRGYPF-UHFFFAOYSA-N	1	0	357.439	1.305	20	30		FDEDRO
C#CCC1([NH2+]Cc2nc3cc(C(=O)OC)ccc3c(=O)[nH]2)CCOCC1	ZINC000887123220	996953692	/nfs/dbraw/zinc/95/36/92/996953692.db2.gz	FOSBZXCWRPDBCA-UHFFFAOYSA-N	1	0	355.394	1.784	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1ccc(F)cc1I	ZINC000717664938	997200136	/nfs/dbraw/zinc/20/01/36/997200136.db2.gz	BPSIFRZBYPPQLL-UHFFFAOYSA-N	1	0	360.170	1.725	20	30		FDEDRO
CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)NCC3(C#N)CCC3)CC2)C1	ZINC000333927900	997300019	/nfs/dbraw/zinc/30/00/19/997300019.db2.gz	WTPPOWPCBUVEDZ-QGZVFWFLSA-N	1	0	363.506	1.117	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCc2nc3ccccc3[nH]2)CC1	ZINC000264056735	997389045	/nfs/dbraw/zinc/38/90/45/997389045.db2.gz	BFRRRNLCKURFQS-UHFFFAOYSA-N	1	0	358.446	1.631	20	30		FDEDRO
CCCCCCCCNC(=[NH2+])NCc1ccc(C(=O)NCC(N)=O)cc1	ZINC000264066243	997393644	/nfs/dbraw/zinc/39/36/44/997393644.db2.gz	FGESXDSSAFXGNP-UHFFFAOYSA-N	1	0	361.490	1.667	20	30		FDEDRO
C[C@H](CNC(=[NH2+])NCCCN1CCOCC1)N1CCc2ccccc2C1	ZINC000264084692	997399515	/nfs/dbraw/zinc/39/95/15/997399515.db2.gz	IVELHLMETWSRNH-QGZVFWFLSA-N	1	0	359.518	1.060	20	30		FDEDRO
[NH2+]=C(NCc1ccc(N2CCCC2)cc1)N1CCN(c2ncccn2)CC1	ZINC000264087977	997399720	/nfs/dbraw/zinc/39/97/20/997399720.db2.gz	KBZLMWZDOYDSOR-UHFFFAOYSA-N	1	0	365.485	1.714	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NCc1ccc(OCCOc2ccccc2)nc1	ZINC000264114922	997405328	/nfs/dbraw/zinc/40/53/28/997405328.db2.gz	SEJLUGITQPIUPS-HNNXBMFYSA-N	1	0	358.442	1.979	20	30		FDEDRO
Cn1c(=O)c(C#N)c(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n(C)c1=O	ZINC000264248114	997438724	/nfs/dbraw/zinc/43/87/24/997438724.db2.gz	AWWOPTSPURYTGE-HNNXBMFYSA-N	1	0	359.474	1.048	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Cn2c3ccccc3c(=O)[nH]c2=O)CC1	ZINC000264378268	997488545	/nfs/dbraw/zinc/48/85/45/997488545.db2.gz	KVSDVBZNSWJPTG-UHFFFAOYSA-N	1	0	356.426	1.259	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000264498153	997525370	/nfs/dbraw/zinc/52/53/70/997525370.db2.gz	FXQVQHXNUWZQQN-VQIMIIECSA-N	1	0	373.497	1.981	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000264498149	997525542	/nfs/dbraw/zinc/52/55/42/997525542.db2.gz	FXQVQHXNUWZQQN-LPHOPBHVSA-N	1	0	373.497	1.981	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cc1	ZINC000887938101	997966320	/nfs/dbraw/zinc/96/63/20/997966320.db2.gz	ZSVFBFMBQVJGHD-QAPCUYQASA-N	1	0	363.483	1.175	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc3c(c2)N(C(=O)COC)CCC3)CC1	ZINC000888036207	998039941	/nfs/dbraw/zinc/03/99/41/998039941.db2.gz	KUFSPHKDSJOWTC-UHFFFAOYSA-N	1	0	369.465	1.896	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cnn(CCC#N)c2C)[C@@H](C)C1	ZINC000889009584	998115328	/nfs/dbraw/zinc/11/53/28/998115328.db2.gz	LSXJJNRPCSUTAN-MAUKXSAKSA-N	1	0	361.490	1.972	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCc2nncn2-c2ccccc2)cc1OC	ZINC000104172850	998314201	/nfs/dbraw/zinc/31/42/01/998314201.db2.gz	IETHJJVQDLFESD-UHFFFAOYSA-N	1	0	366.425	1.889	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)ccc1C1CC1	ZINC000889801824	998669841	/nfs/dbraw/zinc/66/98/41/998669841.db2.gz	CMWNZJYMHZOACM-CYBMUJFWSA-N	1	0	352.438	1.975	20	30		FDEDRO
C=C(Cl)CNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000889941373	998737226	/nfs/dbraw/zinc/73/72/26/998737226.db2.gz	TZBNWLZKVUDNDW-INIZCTEOSA-N	1	0	362.861	1.778	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NCC2(OCCO)CCC(F)(F)CC2)C1	ZINC000890361005	998913263	/nfs/dbraw/zinc/91/32/63/998913263.db2.gz	HZHZQUPKLFQAMF-OAHLLOKOSA-N	1	0	373.444	1.340	20	30		FDEDRO
CSc1ccc(CNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)cc1C#N	ZINC000890450560	998948385	/nfs/dbraw/zinc/94/83/85/998948385.db2.gz	CYKPQTYNCZFWBE-UHFFFAOYSA-N	1	0	362.499	1.878	20	30		FDEDRO
Cc1nsc(NC[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)c1C#N	ZINC001066686333	999013748	/nfs/dbraw/zinc/01/37/48/999013748.db2.gz	NPZLVZABEZNZRK-HZSPNIEDSA-N	1	0	363.487	1.303	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3cnnn3)cn1)C2	ZINC001110843942	999021702	/nfs/dbraw/zinc/02/17/02/999021702.db2.gz	BQWACYVNNGEGQR-DTDBQYNISA-N	1	0	367.457	1.747	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)nc(C(C)C)[nH]c1=O)C2	ZINC001110882889	999109125	/nfs/dbraw/zinc/10/91/25/999109125.db2.gz	RMDOUCWORIKICE-OAGGEKHMSA-N	1	0	372.469	1.599	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NC1CC[NH+](CC=C)CC1	ZINC000266710938	999217614	/nfs/dbraw/zinc/21/76/14/999217614.db2.gz	NOQSEIRKRNZFOI-UHFFFAOYSA-N	1	0	359.401	1.543	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CO2	ZINC000965714540	1016295190	/nfs/dbraw/zinc/29/51/90/1016295190.db2.gz	BMDWROPQKSYLQI-OWCLPIDISA-N	1	0	363.502	1.415	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)NCC[N@@H+]1CCc2ccccc2C1	ZINC000266863966	999251353	/nfs/dbraw/zinc/25/13/53/999251353.db2.gz	VHWHOKUYAUSYOG-VXPUYCOJSA-N	1	0	368.437	1.077	20	30		FDEDRO
Cc1nccn1CCCCNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000267382157	999324278	/nfs/dbraw/zinc/32/42/78/999324278.db2.gz	AXZWYHPZZFTIHR-UHFFFAOYSA-N	1	0	364.494	1.839	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCc2ccc3c(c2)CCO3)CC1	ZINC000267385140	999325100	/nfs/dbraw/zinc/32/51/00/999325100.db2.gz	BKYUWKXNYRHIMX-UHFFFAOYSA-N	1	0	360.458	1.689	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC2(CNC(=O)C2)CC1	ZINC000267865733	999405869	/nfs/dbraw/zinc/40/58/69/999405869.db2.gz	YVPVAJLQKLFOIJ-MRXNPFEDSA-N	1	0	354.454	1.924	20	30		FDEDRO
COc1ccc(OC(F)F)c(CNC(=[NH2+])NCCCN2CCOCC2)c1	ZINC000268055555	999421297	/nfs/dbraw/zinc/42/12/97/999421297.db2.gz	AOHOLTBTHMZWPG-UHFFFAOYSA-N	1	0	372.416	1.423	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000268072792	999423735	/nfs/dbraw/zinc/42/37/35/999423735.db2.gz	AVYMTDXUZHPUIQ-HLLBOEOZSA-N	1	0	369.473	1.195	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000269011028	999462281	/nfs/dbraw/zinc/46/22/81/999462281.db2.gz	LIXLFDRXAHEWHI-MOPGFXCFSA-N	1	0	371.481	1.876	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc3c2oc(=O)n3C)CC1	ZINC000269875582	999479580	/nfs/dbraw/zinc/47/95/80/999479580.db2.gz	HRSJVXWDEQBANZ-UHFFFAOYSA-N	1	0	372.425	1.227	20	30		FDEDRO
C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CCc4ccc(C#N)cc43)C2)CC1	ZINC000270202851	999525874	/nfs/dbraw/zinc/52/58/74/999525874.db2.gz	PKKFKLMZBAFDRO-GOSISDBHSA-N	1	0	366.465	1.638	20	30		FDEDRO
C#CC[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ccccc1	ZINC000270379898	999550051	/nfs/dbraw/zinc/55/00/51/999550051.db2.gz	VQACTYUGYPCHOL-OALUTQOASA-N	1	0	368.481	1.699	20	30		FDEDRO
C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1)C(=O)N(C)CCC#N	ZINC000270570679	999579112	/nfs/dbraw/zinc/57/91/12/999579112.db2.gz	BFEZIPPONKGJGY-KCTSRDHCSA-N	1	0	364.396	1.587	20	30		FDEDRO
C=CCc1cc(C[NH+]2CCC(C(=O)NCCCO)CC2)cc(OC)c1O	ZINC000271038567	999651587	/nfs/dbraw/zinc/65/15/87/999651587.db2.gz	GZSKLARTTRNJEH-UHFFFAOYSA-N	1	0	362.470	1.840	20	30		FDEDRO
CC1(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)Cc2ccccc2C1	ZINC000271211316	999674944	/nfs/dbraw/zinc/67/49/44/999674944.db2.gz	LVNHUSWNNXFDCS-UHFFFAOYSA-N	1	0	350.470	1.718	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C[N@@H+]1C1CC1	ZINC000271580483	999714431	/nfs/dbraw/zinc/71/44/31/999714431.db2.gz	BSODSLKYPXHMSD-DGCLKSJQSA-N	1	0	358.446	1.190	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1	ZINC000271641759	999720323	/nfs/dbraw/zinc/72/03/23/999720323.db2.gz	BDMVUHMUAAKYHM-CHWSQXEVSA-N	1	0	360.414	1.694	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1	ZINC000274066316	999735785	/nfs/dbraw/zinc/73/57/85/999735785.db2.gz	PGGIGQJWOROFDF-CYBMUJFWSA-N	1	0	370.413	1.121	20	30		FDEDRO
C#CCN(C)C(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1	ZINC000283546196	999756903	/nfs/dbraw/zinc/75/69/03/999756903.db2.gz	HWKCHJQLXHDAJI-UHFFFAOYSA-N	1	0	370.453	1.531	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1	ZINC000284281122	999796453	/nfs/dbraw/zinc/79/64/53/999796453.db2.gz	XIOLWZJZHAQXDH-ROUUACIJSA-N	1	0	359.470	1.462	20	30		FDEDRO
CC[C@H](COC)NC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000284289926	999799061	/nfs/dbraw/zinc/79/90/61/999799061.db2.gz	XHNRNZLMISLRJJ-GOSISDBHSA-N	1	0	372.469	1.134	20	30		FDEDRO
COc1ccc([C@@H](CNC(=O)C(=O)NCCCCC#N)[NH+]2CCCC2)cc1	ZINC000284341867	999811128	/nfs/dbraw/zinc/81/11/28/999811128.db2.gz	KGHUWCSYGVOAQW-GOSISDBHSA-N	1	0	372.469	1.758	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1	ZINC000285837561	999921330	/nfs/dbraw/zinc/92/13/30/999921330.db2.gz	ANUSTBNKUQTSAD-UHFFFAOYSA-N	1	0	373.497	1.724	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000286069916	999936058	/nfs/dbraw/zinc/93/60/58/999936058.db2.gz	RVJYBEZTYLAQDI-AZUAARDMSA-N	1	0	354.498	1.016	20	30		FDEDRO
C#CCNC(=O)c1ccc(N2CCC([NH+](CCOC)CCOC)CC2)nc1	ZINC000286250720	999943023	/nfs/dbraw/zinc/94/30/23/999943023.db2.gz	DVJZUWKQQKAQAJ-UHFFFAOYSA-N	1	0	374.485	1.008	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1	ZINC000287241999	999955919	/nfs/dbraw/zinc/95/59/19/999955919.db2.gz	HUKSSRRKZVZTQX-INIZCTEOSA-N	1	0	359.470	1.668	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21	ZINC000287443454	999958023	/nfs/dbraw/zinc/95/80/23/999958023.db2.gz	SBPXIRBHCXGRCJ-MSOLQXFVSA-N	1	0	371.481	1.810	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000287529331	999958397	/nfs/dbraw/zinc/95/83/97/999958397.db2.gz	XLFKQXVLGQHWRW-KRWDZBQOSA-N	1	0	371.481	1.812	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CCCOCC1	ZINC000288653492	1000034758	/nfs/dbraw/zinc/03/47/58/1000034758.db2.gz	OKTPINHERQZTRZ-SFHVURJKSA-N	1	0	372.469	1.134	20	30		FDEDRO
C=C(C)Cn1c(C2CCC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000290964000	1000163212	/nfs/dbraw/zinc/16/32/12/1000163212.db2.gz	HYSKCNYRSUHSHZ-KRWDZBQOSA-N	1	0	372.517	1.865	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@](C)(O)Cc2ccc(OC)c(OC)c2)CC1	ZINC000291760839	1000196037	/nfs/dbraw/zinc/19/60/37/1000196037.db2.gz	DBQDRXLIYRBVND-NRFANRHFSA-N	1	0	374.481	1.459	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCO[C@@H]3CCOC3)CC2)cc1	ZINC000927515505	1000881275	/nfs/dbraw/zinc/88/12/75/1000881275.db2.gz	VFTHSBASMFGVMJ-LJQANCHMSA-N	1	0	372.469	1.581	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC2(S(=O)(=O)NC(C)(C)C)CCC2)CC1	ZINC000927645491	1000964717	/nfs/dbraw/zinc/96/47/17/1000964717.db2.gz	KTYOAVDNBAGJTI-UHFFFAOYSA-N	1	0	369.531	1.088	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCC(C)C	ZINC001110928943	1001007970	/nfs/dbraw/zinc/00/79/70/1001007970.db2.gz	LWNMSYCRZNJNAW-MKXGPGLRSA-N	1	0	350.503	1.935	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CCC[C@H](C[NH2+]C)C3)cc21	ZINC000927790634	1001048150	/nfs/dbraw/zinc/04/81/50/1001048150.db2.gz	JUEIIJRPXUDHHG-CQSZACIVSA-N	1	0	355.442	1.619	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CC[NH2+]C[C@@H]3C(C)C)cc21	ZINC000927805575	1001065418	/nfs/dbraw/zinc/06/54/18/1001065418.db2.gz	BNBXWDHCZMNHMG-QGZVFWFLSA-N	1	0	355.442	1.617	20	30		FDEDRO
C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000927823238	1001083035	/nfs/dbraw/zinc/08/30/35/1001083035.db2.gz	DEPJDNAUTOGMPY-ZIAGYGMSSA-N	1	0	360.483	1.993	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1	ZINC000927844779	1001104556	/nfs/dbraw/zinc/10/45/56/1001104556.db2.gz	IHHAXIMGOQAYGG-NWDGAFQWSA-N	1	0	354.332	1.543	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1	ZINC000927848079	1001113126	/nfs/dbraw/zinc/11/31/26/1001113126.db2.gz	QJBUZZGEBQUGIC-GHMZBOCLSA-N	1	0	373.306	1.124	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)ccc1F	ZINC000927849266	1001115809	/nfs/dbraw/zinc/11/58/09/1001115809.db2.gz	PQBYXPFFKYUNCO-JQWIXIFHSA-N	1	0	358.295	1.374	20	30		FDEDRO
C[NH2+]CCN(C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)C(C)C	ZINC000927865405	1001146303	/nfs/dbraw/zinc/14/63/03/1001146303.db2.gz	UDXBNZBDVVROCE-UHFFFAOYSA-N	1	0	372.347	1.852	20	30		FDEDRO
C=CCCC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)C(=O)OC	ZINC000928323364	1001492330	/nfs/dbraw/zinc/49/23/30/1001492330.db2.gz	PGQDIINVNTXZRN-IKGGRYGDSA-N	1	0	362.474	1.470	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CN2CC[C@@H](c3ccccc3)NC2=O)CC1	ZINC000928648485	1001606124	/nfs/dbraw/zinc/60/61/24/1001606124.db2.gz	LUSNEWIGSFXIIM-SFHVURJKSA-N	1	0	354.454	1.357	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H](C)[C@H](O)CN(C)C(=O)OC(C)(C)C)CC1	ZINC000928648512	1001606314	/nfs/dbraw/zinc/60/63/14/1001606314.db2.gz	MIOORBCSMJGFHW-GOEBONIOSA-N	1	0	367.490	1.064	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C(C)(C)N2C(=O)c3ccccc3C2=O)CC1	ZINC000928654062	1001610580	/nfs/dbraw/zinc/61/05/80/1001610580.db2.gz	LSANMKYMIKNGCS-UHFFFAOYSA-N	1	0	353.422	1.275	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cc(N3CCNC3=O)ccc2Cl)CC1	ZINC000928654804	1001610979	/nfs/dbraw/zinc/61/09/79/1001610979.db2.gz	DYMSTFKWJINLKC-UHFFFAOYSA-N	1	0	360.845	1.697	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Cc2c(C)nn(CC(F)(F)F)c2C)CC1	ZINC000928654956	1001611183	/nfs/dbraw/zinc/61/11/83/1001611183.db2.gz	NRWPZIJNWIZLNG-UHFFFAOYSA-N	1	0	356.392	1.819	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)CC1	ZINC000928654253	1001611329	/nfs/dbraw/zinc/61/13/29/1001611329.db2.gz	TWLGEQASLPWFRK-OAHLLOKOSA-N	1	0	357.429	1.701	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cn(C)nc2-c2ccccc2OC)CC1	ZINC000928654709	1001611369	/nfs/dbraw/zinc/61/13/69/1001611369.db2.gz	AMTGKAYLZKPMGX-UHFFFAOYSA-N	1	0	352.438	1.923	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccc(OC)c(N3CCNC3=O)c2)CC1	ZINC000928655528	1001611856	/nfs/dbraw/zinc/61/18/56/1001611856.db2.gz	SESQKCQQBKMJSX-UHFFFAOYSA-N	1	0	356.426	1.052	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cnn(CCO[C@@H]3CCCCO3)c2C)CC1	ZINC000928655444	1001612026	/nfs/dbraw/zinc/61/20/26/1001612026.db2.gz	WPLDASPPJYHWCA-LJQANCHMSA-N	1	0	374.485	1.562	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1	ZINC000928656772	1001612602	/nfs/dbraw/zinc/61/26/02/1001612602.db2.gz	GGKGPGYJQZXLTA-LJQANCHMSA-N	1	0	367.493	1.682	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)CC1	ZINC000928656669	1001612620	/nfs/dbraw/zinc/61/26/20/1001612620.db2.gz	DKGVHVORVDVMLW-UHFFFAOYSA-N	1	0	352.438	1.379	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CCC(=O)N2CCc3sccc3C2)CC1	ZINC000928657775	1001613056	/nfs/dbraw/zinc/61/30/56/1001613056.db2.gz	YINYUAJOLVGJAH-UHFFFAOYSA-N	1	0	359.495	1.627	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)CC1	ZINC000928659484	1001615171	/nfs/dbraw/zinc/61/51/71/1001615171.db2.gz	OEXQWXJIOBXURS-UHFFFAOYSA-N	1	0	361.829	1.279	20	30		FDEDRO
N#Cc1ccc(N[C@H]2CCCN(C(=O)C3C[NH+]([C@H]4CCOC4)C3)C2)nc1	ZINC000928718688	1001635401	/nfs/dbraw/zinc/63/54/01/1001635401.db2.gz	ANZFSTNSAPKHML-IRXDYDNUSA-N	1	0	355.442	1.077	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](CC#N)C(F)(F)F)CC1=O	ZINC000928808922	1001673219	/nfs/dbraw/zinc/67/32/19/1001673219.db2.gz	KGCCFESVDBFIFB-JHJVBQTASA-N	1	0	360.380	1.280	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)/C=C(\C)C3CC3)C[C@H]2C)CC1	ZINC000947763711	1001859755	/nfs/dbraw/zinc/85/97/55/1001859755.db2.gz	YCXQSFDECVZJBW-FESITFKDSA-N	1	0	357.498	1.651	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H](C)c1ccc(OC)cc1)C1CC[NH+](C)CC1	ZINC000929321605	1001933046	/nfs/dbraw/zinc/93/30/46/1001933046.db2.gz	CSCIJKMPFGYORI-OAHLLOKOSA-N	1	0	357.454	1.428	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1)C1CC[NH+](C)CC1	ZINC000929380565	1001983172	/nfs/dbraw/zinc/98/31/72/1001983172.db2.gz	YLDAOPCFOZRQEZ-HNNXBMFYSA-N	1	0	352.438	1.291	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1	ZINC000948102558	1002098076	/nfs/dbraw/zinc/09/80/76/1002098076.db2.gz	OSBRGMIETJDWFM-IPELMVKDSA-N	1	0	368.481	1.599	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2cccc(CN3CCOC3=O)c2)CC1	ZINC000929659798	1002317759	/nfs/dbraw/zinc/31/77/59/1002317759.db2.gz	NDELAAWDJCEHIL-UHFFFAOYSA-N	1	0	356.426	1.858	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCCc1ccc(F)c(F)c1)C1CC[NH+](C)CC1	ZINC000929783930	1002435855	/nfs/dbraw/zinc/43/58/55/1002435855.db2.gz	FCYSWFJRWVANKP-UHFFFAOYSA-N	1	0	363.408	1.180	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2	ZINC001111281430	1002643888	/nfs/dbraw/zinc/64/38/88/1002643888.db2.gz	RPTMGENYQQEOIR-KURKYZTESA-N	1	0	374.529	1.228	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC(c3ccn(C)n3)CC2)CC1	ZINC000930011192	1002734140	/nfs/dbraw/zinc/73/41/40/1002734140.db2.gz	ZACOOHUDSHZTAD-UHFFFAOYSA-N	1	0	373.501	1.283	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C)C[C@H]2CC(C)C)CC1	ZINC000930010296	1002734232	/nfs/dbraw/zinc/73/42/32/1002734232.db2.gz	PCGSSOCNAYEMBM-GOSISDBHSA-N	1	0	364.534	1.332	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)cc1	ZINC000930122785	1002842742	/nfs/dbraw/zinc/84/27/42/1002842742.db2.gz	BKKJDAKQSBKCGI-UHFFFAOYSA-N	1	0	354.410	1.013	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1C(=O)CNC1=O	ZINC001110984978	1002976690	/nfs/dbraw/zinc/97/66/90/1002976690.db2.gz	PJJGEMRCZKHMPU-BKEDOTJMSA-N	1	0	362.474	1.252	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H]1CCO[C@@H](C(C)(C)C)C1)C1CC[NH+](C)CC1	ZINC000930265191	1002983101	/nfs/dbraw/zinc/98/31/01/1002983101.db2.gz	QJFNHYHBBHIDIR-DOTOQJQBSA-N	1	0	363.502	1.252	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C	ZINC000949184172	1003068113	/nfs/dbraw/zinc/06/81/13/1003068113.db2.gz	HVVGEGNLALSYIR-ATZDWAIDSA-N	1	0	353.466	1.125	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@@H](O)C1	ZINC000966082150	1016726268	/nfs/dbraw/zinc/72/62/68/1016726268.db2.gz	WFUZHOFRIYKIGJ-ILXRZTDVSA-N	1	0	371.909	1.327	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@@H](O)C1	ZINC000966082151	1016727109	/nfs/dbraw/zinc/72/71/09/1016727109.db2.gz	WFUZHOFRIYKIGJ-KFWWJZLASA-N	1	0	371.909	1.327	20	30		FDEDRO
C=CCC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)CC2)C1	ZINC000949427381	1003335060	/nfs/dbraw/zinc/33/50/60/1003335060.db2.gz	NJGOTNBVNORUDL-IAGOWNOFSA-N	1	0	358.486	1.793	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C)cc1	ZINC000949519250	1003430999	/nfs/dbraw/zinc/43/09/99/1003430999.db2.gz	OZQWQHGVHWWOND-OHDICMOHSA-N	1	0	353.466	1.585	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000949532857	1003449273	/nfs/dbraw/zinc/44/92/73/1003449273.db2.gz	LDSCKOOLRDUMGF-JWZBEHFJSA-N	1	0	357.458	1.193	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1	ZINC000930769724	1003489547	/nfs/dbraw/zinc/48/95/47/1003489547.db2.gz	RFGABXNMZVLUGC-SQNIBIBYSA-N	1	0	374.485	1.288	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccc(OCC(=O)OCC)cc2)CC1	ZINC000930811811	1003536102	/nfs/dbraw/zinc/53/61/02/1003536102.db2.gz	QHNJAOPAVDJWLH-UHFFFAOYSA-N	1	0	359.426	1.848	20	30		FDEDRO
COC[C@@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OCC#N)cc1	ZINC001111000391	1003665659	/nfs/dbraw/zinc/66/56/59/1003665659.db2.gz	HVBJDMSAJVTEKD-OQIJWPOYSA-N	1	0	373.453	1.472	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3CCCC34CC4)C2)CC1	ZINC000949862159	1003757053	/nfs/dbraw/zinc/75/70/53/1003757053.db2.gz	MKAWIKYCVLYJNJ-BHIYHBOVSA-N	1	0	371.525	1.875	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[C@H]3C=CCC3)C2)CC1	ZINC000949864708	1003758096	/nfs/dbraw/zinc/75/80/96/1003758096.db2.gz	BRYVYOMLBGHBBV-ZIFCJYIRSA-N	1	0	357.498	1.651	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3cccc(C)c3)C2)CC1	ZINC000949864749	1003759245	/nfs/dbraw/zinc/75/92/45/1003759245.db2.gz	GJBIGPXXGLORCC-YLJYHZDGSA-N	1	0	367.493	1.917	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)C(C)=C3CCC3)C2)CC1	ZINC000949864771	1003759263	/nfs/dbraw/zinc/75/92/63/1003759263.db2.gz	HXWGGRRNQPAZNE-DNVCBOLYSA-N	1	0	357.498	1.795	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@H](c2n[nH]cc2C(=O)OCC)C1	ZINC000931008645	1003767058	/nfs/dbraw/zinc/76/70/58/1003767058.db2.gz	VMQLZYCVBPEIJM-GJZGRUSLSA-N	1	0	360.458	1.965	20	30		FDEDRO
C#CCN(C(=O)C(=O)NC[C@H](OC)C1CCCCC1)C1CC[NH+](C)CC1	ZINC000931030111	1003791342	/nfs/dbraw/zinc/79/13/42/1003791342.db2.gz	UVVKAMDEWXAZDH-SFHVURJKSA-N	1	0	363.502	1.254	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)Nc2cc(N3CCNC3=O)ccc2C)C1	ZINC000931112945	1003899293	/nfs/dbraw/zinc/89/92/93/1003899293.db2.gz	LMKVNIDLXUKAMW-OAHLLOKOSA-N	1	0	355.442	1.744	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCC[N@@H+](CC)C2)c1	ZINC000931127753	1003908275	/nfs/dbraw/zinc/90/82/75/1003908275.db2.gz	PVLRSUIAKHUUFF-MRXNPFEDSA-N	1	0	362.495	1.945	20	30		FDEDRO
C#CC1(O)CC[NH+]([C@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1	ZINC000931147415	1003923575	/nfs/dbraw/zinc/92/35/75/1003923575.db2.gz	SUQNRVIWSQWWKB-MRXNPFEDSA-N	1	0	359.445	1.323	20	30		FDEDRO
C#CC1(O)CCN(CC(C[NH+]2CCC(O)(C#C)CC2)c2ccccc2)CC1	ZINC000931150817	1003926441	/nfs/dbraw/zinc/92/64/41/1003926441.db2.gz	BEWYLPSAQGLWRZ-UHFFFAOYSA-N	1	0	366.505	1.690	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Nc1cccc(N2C(=O)NC(C)(C)C2=O)c1	ZINC000931152522	1003927064	/nfs/dbraw/zinc/92/70/64/1003927064.db2.gz	CQGAMYHODIAJIC-UHFFFAOYSA-N	1	0	371.441	1.598	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](N3CCC([N@@H+]4CCCOCC4)CC3)C2=O)cc1	ZINC000931289544	1004028944	/nfs/dbraw/zinc/02/89/44/1004028944.db2.gz	HPQNBZFCIQERDU-HXUWFJFHSA-N	1	0	368.481	1.850	20	30		FDEDRO
COc1c(C)[nH]cc(C[N@H+](C)C[C@@H](O)COc2ccccc2C#N)c1=O	ZINC000931325359	1004057420	/nfs/dbraw/zinc/05/74/20/1004057420.db2.gz	CUCJXLDIFBPFBN-MRXNPFEDSA-N	1	0	357.410	1.435	20	30		FDEDRO
C#CCCN1CCN(C(=O)CCc2ccc(OCC[NH+](C)C)cc2)CC1	ZINC000931345002	1004073604	/nfs/dbraw/zinc/07/36/04/1004073604.db2.gz	XUVKJDZQOASUNR-UHFFFAOYSA-N	1	0	357.498	1.727	20	30		FDEDRO
C[N@H+]1C[C@H]2CC[C@@H](C1)N2CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000931393196	1004109082	/nfs/dbraw/zinc/10/90/82/1004109082.db2.gz	FHCQJUCLFJYUMV-CALCHBBNSA-N	1	0	365.399	1.952	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Nc1cc(C(N)=O)ccc1OCC(F)F	ZINC000931501861	1004222248	/nfs/dbraw/zinc/22/22/48/1004222248.db2.gz	GHNFNNMXLUQAHW-UHFFFAOYSA-N	1	0	368.384	1.506	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[NH+]2CCN(CCc3cnccn3)CC2)cc1	ZINC000931506966	1004226223	/nfs/dbraw/zinc/22/62/23/1004226223.db2.gz	ILQVZNAPZFNAPK-UHFFFAOYSA-N	1	0	363.465	1.647	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCc2cc(C#N)ccc2F)C1	ZINC000931596084	1004300569	/nfs/dbraw/zinc/30/05/69/1004300569.db2.gz	QEVKOHBHCJPEDJ-RHSMWYFYSA-N	1	0	358.417	1.256	20	30		FDEDRO
COc1ccccc1C[C@](C)(CO)[NH2+]C[C@@H](O)CC1(C#N)CCOCC1	ZINC000931599966	1004303601	/nfs/dbraw/zinc/30/36/01/1004303601.db2.gz	GANUERCQGHLLMS-PKOBYXMFSA-N	1	0	362.470	1.650	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NCc2cc(N(C)C)cc[nH+]2)cc1C#N	ZINC000931614037	1004321245	/nfs/dbraw/zinc/32/12/45/1004321245.db2.gz	UZQPMXHCRVZZES-UHFFFAOYSA-N	1	0	351.410	1.260	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C(=O)OC(C)(C)C)[C@H](C2CC2)C1	ZINC000931847496	1004532559	/nfs/dbraw/zinc/53/25/59/1004532559.db2.gz	YGXXKLKDIYFIKO-UONOGXRCSA-N	1	0	351.447	1.298	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ocnc1C1CC1)C2	ZINC001111020924	1004631814	/nfs/dbraw/zinc/63/18/14/1004631814.db2.gz	KUZCBGHZKDFFSV-NGFQHRJXSA-N	1	0	358.442	1.578	20	30		FDEDRO
CCS(=O)(=O)N(C)c1ccc(NC(=O)NCC#CC[NH+](C)C)cc1	ZINC000931956672	1004639431	/nfs/dbraw/zinc/63/94/31/1004639431.db2.gz	CCYACMWIFUTXLK-UHFFFAOYSA-N	1	0	352.460	1.159	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C1	ZINC000931992757	1004683530	/nfs/dbraw/zinc/68/35/30/1004683530.db2.gz	SYGQDIPLAQZDEC-AWEZNQCLSA-N	1	0	352.479	1.984	20	30		FDEDRO
Cn1ccc([C@H]2CCC[N@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)n1	ZINC000932131419	1004784204	/nfs/dbraw/zinc/78/42/04/1004784204.db2.gz	BQFSTZXTGYLLBM-INIZCTEOSA-N	1	0	362.433	1.899	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2cc(=O)n(C)cc2Br)CC1	ZINC000932143772	1004792528	/nfs/dbraw/zinc/79/25/28/1004792528.db2.gz	IVOBVZZOFCDQOZ-UHFFFAOYSA-N	1	0	368.275	1.918	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1C#N	ZINC000932475436	1004978022	/nfs/dbraw/zinc/97/80/22/1004978022.db2.gz	PKMZCPMIJGRDFB-MOPGFXCFSA-N	1	0	368.481	1.957	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH+]2CCN(c3cccc4[nH]c(=O)[nH]c43)CC2)CCC1	ZINC000932511865	1004995345	/nfs/dbraw/zinc/99/53/45/1004995345.db2.gz	VJVGFDYYIRBVCK-AWEZNQCLSA-N	1	0	355.442	1.835	20	30		FDEDRO
CN(C(=O)C1(C#N)CCSCC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000932577281	1005020211	/nfs/dbraw/zinc/02/02/11/1005020211.db2.gz	JTJVMLFBQMWFBT-MRXNPFEDSA-N	1	0	350.532	1.650	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)N[C@@H](CC#N)C(F)(F)F)CC2)CC1	ZINC000932907401	1005238751	/nfs/dbraw/zinc/23/87/51/1005238751.db2.gz	DHPOJLXLAYYOPT-AWEZNQCLSA-N	1	0	361.412	1.689	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)N[C@@H](CC#N)C(F)(F)F)CC1	ZINC000932924375	1005246790	/nfs/dbraw/zinc/24/67/90/1005246790.db2.gz	WMKAXBOOGUZNGQ-ZDUSSCGKSA-N	1	0	370.379	1.477	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1	ZINC000652376552	1016980093	/nfs/dbraw/zinc/98/00/93/1016980093.db2.gz	SSKAZJVMCJQEEC-YJBOKZPZSA-N	1	0	363.483	1.352	20	30		FDEDRO
N#CC1(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCSCC1	ZINC000933826278	1005642939	/nfs/dbraw/zinc/64/29/39/1005642939.db2.gz	TVIOVHNORFULSJ-IBGZPJMESA-N	1	0	359.495	1.777	20	30		FDEDRO
CN1CCN(Cc2cc(C#N)ccc2Br)CC[N@H+](C)CC1	ZINC000933991348	1005673728	/nfs/dbraw/zinc/67/37/28/1005673728.db2.gz	BZIVIBNJHJPYDT-UHFFFAOYSA-N	1	0	351.292	2.000	20	30		FDEDRO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN(C)CC[N@H+](C)CC1	ZINC000933994815	1005675071	/nfs/dbraw/zinc/67/50/71/1005675071.db2.gz	WUSJFWKTHUUWOI-CQSZACIVSA-N	1	0	363.893	1.718	20	30		FDEDRO
CN1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)CC[N@H+](C)CC1	ZINC000933994956	1005675142	/nfs/dbraw/zinc/67/51/42/1005675142.db2.gz	CIXXLEFZGIQCIC-UHFFFAOYSA-N	1	0	367.497	1.917	20	30		FDEDRO
N#CCCN(C(=O)CN1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)c1ccccc1	ZINC000934254957	1005722120	/nfs/dbraw/zinc/72/21/20/1005722120.db2.gz	GEUYFLRNNNJFQB-RTBURBONSA-N	1	0	356.470	1.464	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H](N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)C1=O	ZINC000934262038	1005724785	/nfs/dbraw/zinc/72/47/85/1005724785.db2.gz	ILWKQGQTPLXETB-XHSDSOJGSA-N	1	0	360.483	1.256	20	30		FDEDRO
COc1ccc(C[N@H+](CCCO)C[C@@H](O)CC2(C#N)CCOCC2)cc1	ZINC000934501225	1005754030	/nfs/dbraw/zinc/75/40/30/1005754030.db2.gz	FNWKYVFFVABCFW-SFHVURJKSA-N	1	0	362.470	1.951	20	30		FDEDRO
C#CCNC(=O)CC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CCOC	ZINC000934528027	1005757351	/nfs/dbraw/zinc/75/73/51/1005757351.db2.gz	DSXDNLHRNLDNOZ-OAHLLOKOSA-N	1	0	353.463	1.084	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1cnn(C)c1	ZINC001111107195	1006080340	/nfs/dbraw/zinc/08/03/40/1006080340.db2.gz	LULGZQMMHSMRQH-MKXGPGLRSA-N	1	0	373.501	1.155	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCCC	ZINC001111106893	1006105488	/nfs/dbraw/zinc/10/54/88/1006105488.db2.gz	AGLZNXSRFOSEHF-YRXWBPOGSA-N	1	0	365.518	1.996	20	30		FDEDRO
Cc1nn2c(nc3ccccc3c2=O)c1=CNNc1cc(Cl)nc(N)[nH+]1	ZINC000778545532	1006438869	/nfs/dbraw/zinc/43/88/69/1006438869.db2.gz	VVSSKKOXYIWWAF-UHFFFAOYSA-N	1	0	368.788	1.956	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C=CC(=O)Nc2ccc3n[nH]cc3c2)CC1	ZINC000778710080	1006677650	/nfs/dbraw/zinc/67/76/50/1006677650.db2.gz	GFZYZQVQSFNKHP-WAYWQWQTSA-N	1	0	353.426	1.824	20	30		FDEDRO
CC[NH+]=C(NCc1ccccc1F)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000155821286	1006729727	/nfs/dbraw/zinc/72/97/27/1006729727.db2.gz	SXWTTWKECLBUFU-UHFFFAOYSA-N	1	0	358.421	1.374	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCc1nncn1C)C2	ZINC001111206947	1006874427	/nfs/dbraw/zinc/87/44/27/1006874427.db2.gz	VNSLFSOMPHMCIE-ZACQAIPSSA-N	1	0	361.490	1.800	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCc1ncnn1C)C2	ZINC001111212055	1006902065	/nfs/dbraw/zinc/90/20/65/1006902065.db2.gz	FYAXAAJJCIEKSX-ZACQAIPSSA-N	1	0	361.490	1.800	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3ccn(C)c3c1)C2	ZINC001111224445	1006958662	/nfs/dbraw/zinc/95/86/62/1006958662.db2.gz	HXXSSBYBZNGGTO-KURKYZTESA-N	1	0	366.465	1.816	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1oc(CC)nc1C)C2	ZINC001111228859	1006972844	/nfs/dbraw/zinc/97/28/44/1006972844.db2.gz	QOPQBIYAUIRASG-YJNKXOJESA-N	1	0	360.458	1.571	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1	ZINC000954751204	1006994906	/nfs/dbraw/zinc/99/49/06/1006994906.db2.gz	GOAONBYIYULWPG-NXHRZFHOSA-N	1	0	363.502	1.369	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCn2cncn2)C3)c1	ZINC001111236516	1007010725	/nfs/dbraw/zinc/01/07/25/1007010725.db2.gz	YOGLYLXSUVJBRQ-QRVBRYPASA-N	1	0	364.453	1.852	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1	ZINC000954952791	1007150736	/nfs/dbraw/zinc/15/07/36/1007150736.db2.gz	OEHHDNPHIUVERS-IRXDYDNUSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1	ZINC000955198302	1007274757	/nfs/dbraw/zinc/27/47/57/1007274757.db2.gz	UTBSTBCGGQXDEL-MSOLQXFVSA-N	1	0	363.502	1.367	20	30		FDEDRO
C#CCOc1cccc(Cl)c1CN(CCO)CCN1CCOCC1	ZINC000779152820	1007457357	/nfs/dbraw/zinc/45/73/57/1007457357.db2.gz	BDTPSEICFUWOOJ-UHFFFAOYSA-N	1	0	352.862	1.479	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)CC3CCCC3)C[C@H]2C)CC1	ZINC000947278685	1007488283	/nfs/dbraw/zinc/48/82/83/1007488283.db2.gz	TWSWWEASOXICTO-VQIMIIECSA-N	1	0	359.514	1.875	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CCN(C(=O)C2CC[NH+](C)CC2)C1	ZINC000957011833	1007517721	/nfs/dbraw/zinc/51/77/21/1007517721.db2.gz	UEUXDGDZHKZGPA-UWVAXJGDSA-N	1	0	363.502	1.417	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21	ZINC000640098400	1007763824	/nfs/dbraw/zinc/76/38/24/1007763824.db2.gz	DNEGPYINCUKPQT-QRVBRYPASA-N	1	0	352.434	1.911	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1	ZINC000956078616	1007860182	/nfs/dbraw/zinc/86/01/82/1007860182.db2.gz	UGAFOZGHYQAEDI-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)C[N@H+]1CCC(C)(C)C1	ZINC000956227915	1007951455	/nfs/dbraw/zinc/95/14/55/1007951455.db2.gz	MGKMSXGVADWEKO-BBWFWOEESA-N	1	0	363.502	1.417	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H](C)C#N)CC[N@@H+]1C	ZINC000959734594	1008628514	/nfs/dbraw/zinc/62/85/14/1008628514.db2.gz	QWSLAOPEWWMFEU-MCEUPANISA-N	1	0	360.502	1.762	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2C)cc1	ZINC000950003837	1008633238	/nfs/dbraw/zinc/63/32/38/1008633238.db2.gz	PXMDGACPGWWWSG-LZQZEXGQSA-N	1	0	355.482	1.831	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2C)cn1	ZINC000950003957	1008633858	/nfs/dbraw/zinc/63/38/58/1008633858.db2.gz	WIXFMPHAMNEBSA-OLMNPRSZSA-N	1	0	356.470	1.226	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]([NH3+])[C@H](CC)C2)cc1	ZINC000647003831	1009383608	/nfs/dbraw/zinc/38/36/08/1009383608.db2.gz	BMOFNITWDLDMJF-CJNGLKHVSA-N	1	0	351.472	1.350	20	30		FDEDRO
C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC000950624231	1009416817	/nfs/dbraw/zinc/41/68/17/1009416817.db2.gz	INGIURBNNRQPAI-KGLIPLIRSA-N	1	0	350.381	1.832	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCCNC(=O)OC(C)(C)C)CC1	ZINC000303772150	1009574239	/nfs/dbraw/zinc/57/42/39/1009574239.db2.gz	DGZZVQGATVCCFI-UHFFFAOYSA-N	1	0	371.482	1.426	20	30		FDEDRO
[NH2+]=C(NCCCOC[C@H]1CCCO1)N1CCN(c2ccc(F)cc2)CC1	ZINC000303782268	1009581534	/nfs/dbraw/zinc/58/15/34/1009581534.db2.gz	NBSDYHSXLIDMNV-GOSISDBHSA-N	1	0	364.465	1.848	20	30		FDEDRO
N#Cc1nccnc1NC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2C2CCC2)CC1	ZINC001111323453	1009610491	/nfs/dbraw/zinc/61/04/91/1009610491.db2.gz	CLKNYMPSSROIMM-DLBZAZTESA-N	1	0	368.485	1.777	20	30		FDEDRO
Cc1nn(C)c(C)c1CCNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000303866516	1009643615	/nfs/dbraw/zinc/64/36/15/1009643615.db2.gz	CMKKSEZMOPXEFL-UHFFFAOYSA-N	1	0	364.494	1.447	20	30		FDEDRO
CCCC[NH+]=C(NCCN1CCN(C(C)=O)CC1)NCc1ccc(C)cc1	ZINC000303880174	1009671004	/nfs/dbraw/zinc/67/10/04/1009671004.db2.gz	HAEOBWSPMOPNMM-UHFFFAOYSA-N	1	0	373.545	1.994	20	30		FDEDRO
C[NH+](C)CCN(C(=O)C(=O)Nc1cccc(OCC#N)c1)C1CCCC1	ZINC000779537403	1009916195	/nfs/dbraw/zinc/91/61/95/1009916195.db2.gz	STFVTNITSRJAQM-UHFFFAOYSA-N	1	0	358.442	1.860	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC000960296992	1009939119	/nfs/dbraw/zinc/93/91/19/1009939119.db2.gz	RNXSXBNFKLGYFC-LFAQGZIKSA-N	1	0	356.466	1.986	20	30		FDEDRO
CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21	ZINC000960368757	1010050082	/nfs/dbraw/zinc/05/00/82/1010050082.db2.gz	UZLZBWDVSGZBOZ-LGKHCZOZSA-N	1	0	369.465	1.950	20	30		FDEDRO
C=CCOc1ccccc1C(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC000950952591	1010103449	/nfs/dbraw/zinc/10/34/49/1010103449.db2.gz	NGRBTLCXEYOPFR-IXDOHACOSA-N	1	0	371.481	1.922	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC000950986819	1010220565	/nfs/dbraw/zinc/22/05/65/1010220565.db2.gz	HZNHDWQDJUFWPW-HYVNUMGLSA-N	1	0	354.454	1.124	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000950994130	1010259322	/nfs/dbraw/zinc/25/93/22/1010259322.db2.gz	VEQXCAUHYBRLOY-HYVNUMGLSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1	ZINC000951153121	1010520833	/nfs/dbraw/zinc/52/08/33/1010520833.db2.gz	FSZKJDVLSCXJOV-IEZWGBDMSA-N	1	0	363.502	1.559	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC[C@H]2C[N@H+](C)Cc2ccc(C#N)cc2)C1	ZINC000960648072	1010538897	/nfs/dbraw/zinc/53/88/97/1010538897.db2.gz	QOVBBQDLZVBVEM-AYOQOUSVSA-N	1	0	368.481	1.896	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3OCCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]3C2)cc1	ZINC000960666605	1010567540	/nfs/dbraw/zinc/56/75/40/1010567540.db2.gz	IOUDEJBHAJRAQM-GBESFXJTSA-N	1	0	369.465	1.060	20	30		FDEDRO
CC(C)N1CCO[C@@H](C(=[NH2+])NOCc2nnc(-c3cccc(C#N)c3)o2)C1	ZINC000779654047	1010661006	/nfs/dbraw/zinc/66/10/06/1010661006.db2.gz	YEQTXMIWCWVTLV-OAHLLOKOSA-N	1	0	370.413	1.716	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC(=O)N1CCOCC1)C2	ZINC001111362086	1010711202	/nfs/dbraw/zinc/71/12/02/1010711202.db2.gz	MKHVPKZEKBVUDT-MLHJIOFPSA-N	1	0	363.502	1.702	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@]2(CO)CCCN(c3ccc(C#N)nc3)C2)CC[N@@H+]1C	ZINC001111373816	1010843645	/nfs/dbraw/zinc/84/36/45/1010843645.db2.gz	RAZLKLHUKPSLEZ-NLWGTHIKSA-N	1	0	371.485	1.131	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1	ZINC000951531175	1010921112	/nfs/dbraw/zinc/92/11/12/1010921112.db2.gz	FQTBHOVJYHMAOO-ZACQAIPSSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCN1C(=O)CNC1=O)C2	ZINC001111379279	1010943929	/nfs/dbraw/zinc/94/39/29/1010943929.db2.gz	BCUXXYRWXVMAEJ-JJXSEGSLSA-N	1	0	362.474	1.395	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2c(C)nnn2CC)C1	ZINC000962414808	1011243971	/nfs/dbraw/zinc/24/39/71/1011243971.db2.gz	RYVNMSKDTHYFKR-OBQMCRIKSA-N	1	0	361.490	1.572	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@@H](O)C1	ZINC000963013248	1011756691	/nfs/dbraw/zinc/75/66/91/1011756691.db2.gz	SOOIHPQXBRHQHZ-ZACQAIPSSA-N	1	0	365.518	1.540	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1	ZINC000963041842	1011777910	/nfs/dbraw/zinc/77/79/10/1011777910.db2.gz	MOCNFCOUODYWBZ-JTDSTZFVSA-N	1	0	351.491	1.009	20	30		FDEDRO
C=C(Br)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	ZINC000961234807	1012088283	/nfs/dbraw/zinc/08/82/83/1012088283.db2.gz	ZMLCYDBUNRNEPG-PKCACUDHSA-N	1	0	355.276	1.757	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]3C2)CC[N@@H+]1C	ZINC000961398018	1012331765	/nfs/dbraw/zinc/33/17/65/1012331765.db2.gz	YGVGNRQMGQVTCE-JSSFPYSZSA-N	1	0	369.469	1.147	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CS(=O)(=O)NC(C)(C)C)C2	ZINC001111419809	1012488203	/nfs/dbraw/zinc/48/82/03/1012488203.db2.gz	PMYCOYYLZMMCIB-JJXSEGSLSA-N	1	0	371.547	1.781	20	30		FDEDRO
C=CCN1CC[C@H](N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)C1=O	ZINC000649751114	1012519273	/nfs/dbraw/zinc/51/92/73/1012519273.db2.gz	DWYMRWULONQNLA-ZCNNSNEGSA-N	1	0	355.482	1.749	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCCN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)CC[N@@H+]1C	ZINC000963711787	1012588783	/nfs/dbraw/zinc/58/87/83/1012588783.db2.gz	QCHPAJSLDADXPP-NOVWEMISSA-N	1	0	369.469	1.290	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)c3cc(C#N)c[nH]3)CC2)CC[N@@H+]1C	ZINC000953846759	1012602967	/nfs/dbraw/zinc/60/29/67/1012602967.db2.gz	DTURPXJURXIUAN-CZUORRHYSA-N	1	0	357.458	1.290	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]32)CC[N@@H+]1C	ZINC000963757298	1012647071	/nfs/dbraw/zinc/64/70/71/1012647071.db2.gz	JCMGJZFFIMDDFO-LTCOOKNTSA-N	1	0	369.469	1.290	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC(N(C)C(=O)c3ccc(C#N)[nH]3)CC2)CC[N@@H+]1C	ZINC000953874095	1012694689	/nfs/dbraw/zinc/69/46/89/1012694689.db2.gz	AZPMCJLAYHIDRE-FUHWJXTLSA-N	1	0	371.485	1.680	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]2C1	ZINC000961661373	1012713905	/nfs/dbraw/zinc/71/39/05/1012713905.db2.gz	VTOYNLIJZCDHPK-ILOCAZANSA-N	1	0	363.502	1.225	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1	ZINC000963810786	1012724345	/nfs/dbraw/zinc/72/43/45/1012724345.db2.gz	GQZDMIDEWGAZDA-CABCVRRESA-N	1	0	351.491	1.151	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(CO)ccc3F)C[C@H]21	ZINC000961820059	1012887579	/nfs/dbraw/zinc/88/75/79/1012887579.db2.gz	WYVDJYCYCRCVJY-SMYFESCOSA-N	1	0	360.429	1.456	20	30		FDEDRO
Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC000961832994	1012906921	/nfs/dbraw/zinc/90/69/21/1012906921.db2.gz	LFSQJZHPFBPLDY-KLBVCGFUSA-N	1	0	361.449	1.642	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC(=O)N2CCCC2)CC1	ZINC000963926993	1012971948	/nfs/dbraw/zinc/97/19/48/1012971948.db2.gz	YXNJRBVFKIUIMO-HIEASXQVSA-N	1	0	363.502	1.559	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)CC2)CC[N@@H+]1C	ZINC000963970169	1013027069	/nfs/dbraw/zinc/02/70/69/1013027069.db2.gz	CUALVYBVRMJOHC-MUIFIZLQSA-N	1	0	371.485	1.631	20	30		FDEDRO
C[NH+](C)[C@@]1(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CCSC1	ZINC000506729238	538905740	/nfs/dbraw/zinc/90/57/40/538905740.db2.gz	DRXSUCFLKLMAAX-IAGOWNOFSA-N	1	0	355.504	1.802	20	30		FDEDRO
CC[NH+](CC)CCNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000192363648	178111677	/nfs/dbraw/zinc/11/16/77/178111677.db2.gz	YKNLBRBHPMABIH-KRWDZBQOSA-N	1	0	357.458	1.300	20	30		FDEDRO
C[NH+]1CCN(CCOc2ccc(NC(=O)c3ccnc(C#N)c3)cc2)CC1	ZINC000193390444	178160689	/nfs/dbraw/zinc/16/06/89/178160689.db2.gz	BSCMQNCARCBREN-UHFFFAOYSA-N	1	0	365.437	1.832	20	30		FDEDRO
C[C@@H]1C[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1N1CCOCC1	ZINC000245533242	178364667	/nfs/dbraw/zinc/36/46/67/178364667.db2.gz	VERFMRDJTTYEOH-LSTHTHJFSA-N	1	0	368.481	1.706	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1	ZINC000245415019	178355319	/nfs/dbraw/zinc/35/53/19/178355319.db2.gz	CVSDWIKBUFOWLL-YLJYHZDGSA-N	1	0	369.513	1.987	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN([C@H](C)C(=O)Nc3ccccc3C#N)C2)CC1	ZINC000245903127	178387919	/nfs/dbraw/zinc/38/79/19/178387919.db2.gz	GWWKBAYOKOUQGD-SJLPKXTDSA-N	1	0	355.486	1.597	20	30		FDEDRO
N#Cc1ccncc1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000513199893	538989822	/nfs/dbraw/zinc/98/98/22/538989822.db2.gz	RTGZTTDJXAQCAO-UHFFFAOYSA-N	1	0	365.441	1.075	20	30		FDEDRO
CCC(CC)(NC(=O)C1C[NH+](CCCC2(C#N)CCOCC2)C1)C(N)=O	ZINC000513231691	538990650	/nfs/dbraw/zinc/99/06/50/538990650.db2.gz	JVMQXFFMWNORBG-UHFFFAOYSA-N	1	0	364.490	1.179	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)CC1	ZINC000513622810	539001424	/nfs/dbraw/zinc/00/14/24/539001424.db2.gz	YVBNFVGLHQHWLW-UHFFFAOYSA-N	1	0	360.458	1.435	20	30		FDEDRO
C[NH+]1CCN(C[C@@H](NC(=O)NCC2(C#N)CCC2)c2ccccc2)CC1	ZINC000516960621	539336426	/nfs/dbraw/zinc/33/64/26/539336426.db2.gz	DVEJLWSBUPZYRX-GOSISDBHSA-N	1	0	355.486	1.968	20	30		FDEDRO
CS(=O)(=O)c1ccc(N(CC[NH3+])Cc2cccc(C#N)c2)c([N+](=O)[O-])c1	ZINC000518258222	539403316	/nfs/dbraw/zinc/40/33/16/539403316.db2.gz	AVIVHYBZAMQGSH-UHFFFAOYSA-N	1	0	374.422	1.835	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C2CCN(S(=O)(=O)CC)CC2)C1=O	ZINC000518607715	539437112	/nfs/dbraw/zinc/43/71/12/539437112.db2.gz	LKPAFLIVXYXWHA-HOCLYGCPSA-N	1	0	357.520	1.155	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)NCC2([NH+]3CCCC3)CCOCC2)ccc1F	ZINC000264205520	179048422	/nfs/dbraw/zinc/04/84/22/179048422.db2.gz	QSHZDONFMGDHEB-UHFFFAOYSA-N	1	0	367.446	1.621	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C	ZINC000264224167	179054499	/nfs/dbraw/zinc/05/44/99/179054499.db2.gz	JUAGULOCUBWURX-MRXNPFEDSA-N	1	0	373.457	1.631	20	30		FDEDRO
N#Cc1c(NC(=O)C[NH2+]C2(CO)CCOCC2)sc2c1CCCCC2	ZINC000264630404	179153570	/nfs/dbraw/zinc/15/35/70/179153570.db2.gz	RERONKQIVQIYDT-UHFFFAOYSA-N	1	0	363.483	1.958	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)n1	ZINC000546882363	542249332	/nfs/dbraw/zinc/24/93/32/542249332.db2.gz	AOAWOYCBFBGHGK-IAGOWNOFSA-N	1	0	354.458	1.412	20	30		FDEDRO
C[NH+](C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1C#N	ZINC000522967280	539590012	/nfs/dbraw/zinc/59/00/12/539590012.db2.gz	VJNCEGFOEQLRIU-UHFFFAOYSA-N	1	0	367.471	1.452	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(c3ncnc(-n4cccn4)c3N)CC2)cc1	ZINC000268502082	180098780	/nfs/dbraw/zinc/09/87/80/180098780.db2.gz	SMMKJURFROOBMF-UHFFFAOYSA-N	1	0	374.452	1.828	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000268917689	180179466	/nfs/dbraw/zinc/17/94/66/180179466.db2.gz	VOXAPSINVVKHOZ-INIZCTEOSA-N	1	0	371.441	1.337	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(C(=O)COc3ccc(C#N)cc3)CC2)CC1	ZINC000269345122	180280381	/nfs/dbraw/zinc/28/03/81/180280381.db2.gz	DXXNIRFSTBSHKM-UHFFFAOYSA-N	1	0	370.497	1.954	20	30		FDEDRO
COC(=O)C[C@@H]1CSCCN1[C@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000269580175	180334610	/nfs/dbraw/zinc/33/46/10/180334610.db2.gz	FESWWUNJMLORHF-CVEARBPZSA-N	1	0	359.451	1.644	20	30		FDEDRO
COCc1ccc(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)cc1C#N	ZINC000529212792	539811668	/nfs/dbraw/zinc/81/16/68/539811668.db2.gz	USQJPQRDKBJMAZ-UHFFFAOYSA-N	1	0	359.474	1.852	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O	ZINC000530232950	539916191	/nfs/dbraw/zinc/91/61/91/539916191.db2.gz	MWNHBYVFKPBWHO-ZWKOTPCHSA-N	1	0	369.396	1.832	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCN(c2ccccc2F)C1=O	ZINC000530232068	539915355	/nfs/dbraw/zinc/91/53/55/539915355.db2.gz	WPMQDYANOJAUQO-DOTOQJQBSA-N	1	0	369.396	1.832	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O	ZINC000530231763	539915726	/nfs/dbraw/zinc/91/57/26/539915726.db2.gz	MAUVUYSMISAOOJ-UONOGXRCSA-N	1	0	371.359	1.441	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)C[N@@H+]1C1CC1	ZINC000546896411	542253287	/nfs/dbraw/zinc/25/32/87/542253287.db2.gz	IJELUQZJCZKJFA-GDBMZVCRSA-N	1	0	354.458	1.410	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)n(CCC#N)n1	ZINC000532611288	540177233	/nfs/dbraw/zinc/17/72/33/540177233.db2.gz	PVYKPYXLCZZODZ-OAHLLOKOSA-N	1	0	360.462	1.280	20	30		FDEDRO
CN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1CC[N@@H+](C2CC2)C1	ZINC000532981099	540192543	/nfs/dbraw/zinc/19/25/43/540192543.db2.gz	DMSDMENEJOURFQ-SFHVURJKSA-N	1	0	364.453	1.851	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)n(CCC#N)n1	ZINC000533318052	540231030	/nfs/dbraw/zinc/23/10/30/540231030.db2.gz	IKZNRFPDMMIPJD-UHFFFAOYSA-N	1	0	374.489	1.815	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C	ZINC000275269233	181275561	/nfs/dbraw/zinc/27/55/61/181275561.db2.gz	SSOHQTIVVYWYSF-CHWSQXEVSA-N	1	0	360.458	1.122	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)n(CCC#N)n1	ZINC000533457334	540249882	/nfs/dbraw/zinc/24/98/82/540249882.db2.gz	FFXFONAUPWAPPC-OAHLLOKOSA-N	1	0	358.446	1.131	20	30		FDEDRO
N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@@H]([C@@H]4CCOC4)C3)C2=O)cc1	ZINC000533496142	540255073	/nfs/dbraw/zinc/25/50/73/540255073.db2.gz	BGRINTILLLBGST-NUJGCVRESA-N	1	0	353.422	1.939	20	30		FDEDRO
COC(=O)c1cccc(CN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1C#N	ZINC000535965508	540532541	/nfs/dbraw/zinc/53/25/41/540532541.db2.gz	YTZQKIOSCURJAN-GOSISDBHSA-N	1	0	370.453	1.083	20	30		FDEDRO
C=CC[C@@H](CO)CNC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1	ZINC000537085322	540683342	/nfs/dbraw/zinc/68/33/42/540683342.db2.gz	VAQQRNYJPBNJPS-QUCCMNQESA-N	1	0	374.529	1.849	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1	ZINC000537663932	540758222	/nfs/dbraw/zinc/75/82/22/540758222.db2.gz	UHFWVNYUCKFZIR-CQSZACIVSA-N	1	0	353.426	1.533	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1	ZINC000537807187	540777175	/nfs/dbraw/zinc/77/71/75/540777175.db2.gz	DFJPZUBIOUSLGU-UHFFFAOYSA-N	1	0	360.433	1.782	20	30		FDEDRO
CC(C)[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1	ZINC000269044492	674105719	/nfs/dbraw/zinc/10/57/19/674105719.db2.gz	LQAPILBMCKRAJF-FHHIAAGZSA-N	1	0	352.460	1.421	20	30		FDEDRO
COC(=O)c1cccc(CN(C)CC[N@H+](C)C2CCN(C)CC2)c1C#N	ZINC000538135556	540814921	/nfs/dbraw/zinc/81/49/21/540814921.db2.gz	ODLNLSKMRFNQHB-UHFFFAOYSA-N	1	0	358.486	1.803	20	30		FDEDRO
C=CC[C@@H](CO)CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	ZINC000539312601	540945465	/nfs/dbraw/zinc/94/54/65/540945465.db2.gz	NDDNTNHQGJAKRQ-QGZVFWFLSA-N	1	0	353.507	1.753	20	30		FDEDRO
C=CC[C@@H](CO)NC(=O)NC[C@H](c1cccs1)N1CCN(C)CC1	ZINC000539602671	540976341	/nfs/dbraw/zinc/97/63/41/540976341.db2.gz	MROBFGLEAFEZJC-LSDHHAIUSA-N	1	0	352.504	1.273	20	30		FDEDRO
CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NC[C@@H](C)C#N	ZINC000540311955	541044625	/nfs/dbraw/zinc/04/46/25/541044625.db2.gz	UVUKXHBWLCRNHR-AWEZNQCLSA-N	1	0	373.457	1.051	20	30		FDEDRO
C[C@@H]1C[N@H+](C)CCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000540547929	541073156	/nfs/dbraw/zinc/07/31/56/541073156.db2.gz	SWDGXSVNPOZCSH-APWZRJJASA-N	1	0	373.476	1.170	20	30		FDEDRO
CC(C)[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C[C@H](C)O	ZINC000540551032	541073716	/nfs/dbraw/zinc/07/37/16/541073716.db2.gz	XSVMWDLCHOTCIV-HOTGVXAUSA-N	1	0	364.515	1.548	20	30		FDEDRO
CCC[NH+]1CCC(CNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC1	ZINC000540971559	541127340	/nfs/dbraw/zinc/12/73/40/541127340.db2.gz	UVLJWFPFNLBIRU-UHFFFAOYSA-N	1	0	361.494	1.560	20	30		FDEDRO
C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCC(CC#N)CC2)cc1	ZINC000541041798	541141157	/nfs/dbraw/zinc/14/11/57/541141157.db2.gz	QRONIJQYBXJRMR-UHFFFAOYSA-N	1	0	358.442	1.718	20	30		FDEDRO
C#CCCOc1ccc(C[N@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)cc1	ZINC000269542223	674110066	/nfs/dbraw/zinc/11/00/66/674110066.db2.gz	XFMXECDHVMUPNQ-KRWDZBQOSA-N	1	0	350.484	1.850	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1OC	ZINC000542841975	541486103	/nfs/dbraw/zinc/48/61/03/541486103.db2.gz	MBSYTJAXTMLTIB-UHFFFAOYSA-N	1	0	351.472	1.731	20	30		FDEDRO
Cc1onc(CC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1C#N	ZINC000542918270	541501842	/nfs/dbraw/zinc/50/18/42/541501842.db2.gz	WNLZMMCVPWQYFQ-INIZCTEOSA-N	1	0	354.410	1.280	20	30		FDEDRO
Cc1c(Cl)cnc(NCCCC[NH+]2CCN(CCO)CC2)c1C#N	ZINC000543139090	541538767	/nfs/dbraw/zinc/53/87/67/541538767.db2.gz	VJUMHLNLKUJRQP-UHFFFAOYSA-N	1	0	351.882	1.717	20	30		FDEDRO
COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000275905292	181447797	/nfs/dbraw/zinc/44/77/97/181447797.db2.gz	PSXMSEKOMFOLSI-UHFFFAOYSA-N	1	0	372.347	1.258	20	30		FDEDRO
Cc1nn(-c2cc[nH+]cc2)cc1CN1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000544350586	541758321	/nfs/dbraw/zinc/75/83/21/541758321.db2.gz	FSWYEWFXUROMAJ-HNNXBMFYSA-N	1	0	374.452	1.948	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1	ZINC000544882326	541850229	/nfs/dbraw/zinc/85/02/29/541850229.db2.gz	WQRIJEUAPVCGLQ-ZWKOTPCHSA-N	1	0	359.470	1.691	20	30		FDEDRO
C[N@@H+]1CC[C@](O)(CNC(=O)c2cccc(COc3ccccc3C#N)c2)C1	ZINC000545155683	541882835	/nfs/dbraw/zinc/88/28/35/541882835.db2.gz	UIOCIYNPVMDUPX-NRFANRHFSA-N	1	0	365.433	1.934	20	30		FDEDRO
C[NH+](C)C1CCN(CCNC(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1	ZINC000282866249	182068902	/nfs/dbraw/zinc/06/89/02/182068902.db2.gz	UPAANNOJRQHYHH-UHFFFAOYSA-N	1	0	366.469	1.500	20	30		FDEDRO
N#Cc1ccnc(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)c1	ZINC000283209378	182129468	/nfs/dbraw/zinc/12/94/68/182129468.db2.gz	XJRDGMALQNFDCL-INIZCTEOSA-N	1	0	363.421	1.903	20	30		FDEDRO
C[N@@H+]1CC[C@](O)(CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000545176113	541891980	/nfs/dbraw/zinc/89/19/80/541891980.db2.gz	HAHVTKSWUDWDSF-INIZCTEOSA-N	1	0	355.360	1.423	20	30		FDEDRO
COC1CC[NH+](C2(CNS(=O)(=O)CC3(C#N)CC3)CCCC2)CC1	ZINC000545206420	541903664	/nfs/dbraw/zinc/90/36/64/541903664.db2.gz	HUKMYGRIGCDXRI-UHFFFAOYSA-N	1	0	355.504	1.633	20	30		FDEDRO
CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1	ZINC000283638254	182237378	/nfs/dbraw/zinc/23/73/78/182237378.db2.gz	CAICDBZUOLCKRH-QGZVFWFLSA-N	1	0	366.469	1.995	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccc(C#N)cc1	ZINC000284069502	182354847	/nfs/dbraw/zinc/35/48/47/182354847.db2.gz	RHIPFBHENLJTJI-YJBOKZPZSA-N	1	0	354.454	1.822	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1	ZINC000284172568	182388199	/nfs/dbraw/zinc/38/81/99/182388199.db2.gz	YWKUASRHSJGVJB-OWCLPIDISA-N	1	0	356.470	1.972	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)CC2)n1	ZINC000545488930	541985696	/nfs/dbraw/zinc/98/56/96/541985696.db2.gz	FCUJORLCNNBCSL-GOSISDBHSA-N	1	0	369.469	1.245	20	30		FDEDRO
C[C@@H]1C[N@@H+](CC2CCN(S(=O)(=O)c3ccc(C#N)o3)CC2)C[C@H](C)O1	ZINC000286475234	183075757	/nfs/dbraw/zinc/07/57/57/183075757.db2.gz	AEEWNDJTERDWNE-OKILXGFUSA-N	1	0	367.471	1.661	20	30		FDEDRO
C[C@@H]1C[NH+](CC2CCN(S(=O)(=O)c3ccc(C#N)o3)CC2)C[C@@H](C)O1	ZINC000286475237	183076218	/nfs/dbraw/zinc/07/62/18/183076218.db2.gz	AEEWNDJTERDWNE-ZIAGYGMSSA-N	1	0	367.471	1.661	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000546605881	542180952	/nfs/dbraw/zinc/18/09/52/542180952.db2.gz	COIHBRHKXVLELZ-GOEBONIOSA-N	1	0	367.457	2.394	20	30		FDEDRO
Cc1ccccc1C[NH+]1CCC(NC(=O)NCCn2cnc(C#N)n2)CC1	ZINC000286723481	183136078	/nfs/dbraw/zinc/13/60/78/183136078.db2.gz	SLXYRGLKTHEINO-UHFFFAOYSA-N	1	0	367.457	1.422	20	30		FDEDRO
CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C[C@H]1C	ZINC000546612244	542182147	/nfs/dbraw/zinc/18/21/47/542182147.db2.gz	HLLVGZCKOVNTAU-HUUCEWRRSA-N	1	0	367.457	2.394	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1	ZINC000546612603	542182282	/nfs/dbraw/zinc/18/22/82/542182282.db2.gz	RJVPGWGVXKECQL-UKRRQHHQSA-N	1	0	353.430	2.052	20	30		FDEDRO
CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCCn1cnc(C#N)n1	ZINC000286794964	183146752	/nfs/dbraw/zinc/14/67/52/183146752.db2.gz	YFYOMCXPHXMHSM-UHFFFAOYSA-N	1	0	355.446	1.489	20	30		FDEDRO
CC[NH+](CC)[C@@H](CNC(=O)NCCn1cnc(C#N)n1)c1ccccc1	ZINC000286806723	183150210	/nfs/dbraw/zinc/15/02/10/183150210.db2.gz	VHUSEQJRGBBPIZ-INIZCTEOSA-N	1	0	355.446	1.532	20	30		FDEDRO
CN(C(=O)NCCn1cnc(C#N)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000287775301	183380162	/nfs/dbraw/zinc/38/01/62/183380162.db2.gz	GSQQMVLGXKYFGW-MRXNPFEDSA-N	1	0	353.430	1.066	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000546777671	542223682	/nfs/dbraw/zinc/22/36/82/542223682.db2.gz	SGCGKHZUQQGDRB-DLBZAZTESA-N	1	0	368.547	1.358	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(Br)cc3C#N)[C@H]2C1	ZINC000295469969	184074660	/nfs/dbraw/zinc/07/46/60/184074660.db2.gz	LUQHLKCCPWIMQL-GJZGRUSLSA-N	1	0	364.243	1.866	20	30		FDEDRO
C[C@@H](CN1CCN(c2ccccn2)CC1)Nc1ncc(C#N)cc1[N+](=O)[O-]	ZINC000296923725	184214688	/nfs/dbraw/zinc/21/46/88/184214688.db2.gz	AUKZOPFDATUGOZ-AWEZNQCLSA-N	1	0	367.413	1.879	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000297912123	184353656	/nfs/dbraw/zinc/35/36/56/184353656.db2.gz	PQHGURDQCSXBHE-SFHVURJKSA-N	1	0	354.454	1.461	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21	ZINC000547312214	542309593	/nfs/dbraw/zinc/30/95/93/542309593.db2.gz	CBEVZZLKJMTQGI-HOTGVXAUSA-N	1	0	365.441	2.005	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H](C)[NH+]2CCCC2)c1	ZINC000547713675	542425907	/nfs/dbraw/zinc/42/59/07/542425907.db2.gz	XPWXGPNLFFUMDU-CQSZACIVSA-N	1	0	351.472	1.365	20	30		FDEDRO
CC1(C)CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1	ZINC001112511081	781989088	/nfs/dbraw/zinc/98/90/88/781989088.db2.gz	SQEYQYSNOBHEBJ-FTRWYGJKSA-N	1	0	360.502	1.671	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[N@@H+](C)C(C)(C)C1	ZINC000549743254	542928993	/nfs/dbraw/zinc/92/89/93/542928993.db2.gz	GZLNKALVRZHJHP-UHFFFAOYSA-N	1	0	354.458	1.703	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCOc2ccc(C)cc2C)CC1	ZINC000550151283	543022808	/nfs/dbraw/zinc/02/28/08/543022808.db2.gz	BFNQSFUPVOVHTQ-UHFFFAOYSA-N	1	0	373.497	1.955	20	30		FDEDRO
C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000550197963	543036119	/nfs/dbraw/zinc/03/61/19/543036119.db2.gz	XVFNAXUWLCQVSD-OWCLPIDISA-N	1	0	368.481	1.930	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1	ZINC000551387915	543278813	/nfs/dbraw/zinc/27/88/13/543278813.db2.gz	LRDGQBCTJGPMLP-UHFFFAOYSA-N	1	0	369.531	1.173	20	30		FDEDRO
C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C[C@@H](C)C1	ZINC000551693557	543323246	/nfs/dbraw/zinc/32/32/46/543323246.db2.gz	YZTFTIJVWFVLFY-GDZNZVCISA-N	1	0	358.417	1.825	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)[C@@H]1CCCOC1	ZINC000551980505	543396088	/nfs/dbraw/zinc/39/60/88/543396088.db2.gz	ASXOQDVHGUANCT-RTBURBONSA-N	1	0	374.460	1.645	20	30		FDEDRO
C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000069804608	172032611	/nfs/dbraw/zinc/03/26/11/172032611.db2.gz	RXLVLOIOMNSFCI-IAGOWNOFSA-N	1	0	356.470	1.929	20	30		FDEDRO
CC[NH+](CC)C[C@@H]1CCN(C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C1	ZINC000081331145	172186327	/nfs/dbraw/zinc/18/63/27/172186327.db2.gz	FFBQEXHDEXWMTN-INIZCTEOSA-N	1	0	358.486	1.986	20	30		FDEDRO
N#Cc1ccc(Cl)c(NC(=O)C(=O)NCCC[NH+]2CCC(O)CC2)c1	ZINC000088776836	172237513	/nfs/dbraw/zinc/23/75/13/172237513.db2.gz	LJXAUCVZLHCHCV-UHFFFAOYSA-N	1	0	364.833	1.113	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)[N@@H+]1CCC[C@@H](C)C1	ZINC000091193929	172276490	/nfs/dbraw/zinc/27/64/90/172276490.db2.gz	HMXHFFTXZFQJLQ-KGLIPLIRSA-N	1	0	374.489	1.685	20	30		FDEDRO
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)n1	ZINC000091203791	172277140	/nfs/dbraw/zinc/27/71/40/172277140.db2.gz	FPLKKSRKTZQIKW-UHFFFAOYSA-N	1	0	372.473	1.535	20	30		FDEDRO
N#Cc1ccc(OCC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc1	ZINC000127223109	173068374	/nfs/dbraw/zinc/06/83/74/173068374.db2.gz	JFIUZNXCOIKLHL-RTBURBONSA-N	1	0	365.433	1.689	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCC(=O)N(C)c1ccccc1	ZINC000135145036	173339911	/nfs/dbraw/zinc/33/99/11/173339911.db2.gz	XPMYZXPWXZTYFV-MRXNPFEDSA-N	1	0	364.453	1.912	20	30		FDEDRO
C[C@H]1OCC[C@H]1S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000135520483	173347131	/nfs/dbraw/zinc/34/71/31/173347131.db2.gz	LLUQKNKNOAGRRQ-RHSMWYFYSA-N	1	0	351.472	1.429	20	30		FDEDRO
CC[NH+](CC)CCN(CCOC)C(=O)C(=O)Nc1ccc(C#N)cc1F	ZINC000136195898	173358825	/nfs/dbraw/zinc/35/88/25/173358825.db2.gz	HSKHMMHAVWBVPK-UHFFFAOYSA-N	1	0	364.421	1.453	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2ccc(F)cc2C#N)C[C@H](C)O1	ZINC000175945535	174038981	/nfs/dbraw/zinc/03/89/81/174038981.db2.gz	HBXOMDBMQGFZNP-BETUJISGSA-N	1	0	362.405	1.251	20	30		FDEDRO
CC[C@H](O)C[NH+]1CCN(CC(=O)Nc2sc(C)c(C)c2C#N)CC1	ZINC000177194611	174113328	/nfs/dbraw/zinc/11/33/28/174113328.db2.gz	FPTPBSFZZGIQBM-AWEZNQCLSA-N	1	0	350.488	1.564	20	30		FDEDRO
CS(=O)(=O)N1CCCN(Cc2ccc(C#N)cc2Br)CC1	ZINC000180929330	174197224	/nfs/dbraw/zinc/19/72/24/174197224.db2.gz	IKHTWTLCBQNXPN-UHFFFAOYSA-N	1	0	372.288	1.788	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1	ZINC000553194026	543585008	/nfs/dbraw/zinc/58/50/08/543585008.db2.gz	ZEVHWLSAQFUPIZ-HKUYNNGSSA-N	1	0	373.497	1.817	20	30		FDEDRO
C[C@H]([NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(C#N)cc1	ZINC000180145463	258362474	/nfs/dbraw/zinc/36/24/74/258362474.db2.gz	FABOLNQYPBUDIE-INIZCTEOSA-N	1	0	364.453	1.738	20	30		FDEDRO
Cn1cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c(-c2ccc(C#N)cc2)n1	ZINC000180307964	258366062	/nfs/dbraw/zinc/36/60/62/258366062.db2.gz	VWSDMCPUFOMGEF-UHFFFAOYSA-N	1	0	351.370	1.853	20	30		FDEDRO
N#Cc1ccc(CSCC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1	ZINC000174192981	258321248	/nfs/dbraw/zinc/32/12/48/258321248.db2.gz	VIKAXVPXHRZVIM-GOSISDBHSA-N	1	0	359.495	1.972	20	30		FDEDRO
Cc1oc(NC(=O)[C@@H](C)N2CC[NH+](C[C@H]3CCOC3)CC2)c(C#N)c1C	ZINC000178824135	258336785	/nfs/dbraw/zinc/33/67/85/258336785.db2.gz	ICLDEQJQNSYPJS-GDBMZVCRSA-N	1	0	360.458	1.749	20	30		FDEDRO
CC(C)C[NH+]1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1	ZINC000184613018	258382156	/nfs/dbraw/zinc/38/21/56/258382156.db2.gz	PCWLQCRJPUBLET-UHFFFAOYSA-N	1	0	353.430	1.944	20	30		FDEDRO
N#Cc1cccc(-n2ccc(C(=O)NCCCC[NH+]3CCOCC3)n2)c1	ZINC000281309580	258652790	/nfs/dbraw/zinc/65/27/90/258652790.db2.gz	RTHRRXCCVIEYBN-UHFFFAOYSA-N	1	0	353.426	1.586	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@H](OCC)C23CCC3)CC1	ZINC000553372313	543621115	/nfs/dbraw/zinc/62/11/15/543621115.db2.gz	NRJUSIYIYJPFOX-IRXDYDNUSA-N	1	0	363.502	1.607	20	30		FDEDRO
N#CCC[C@@H](C#N)C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1	ZINC000554486723	543808829	/nfs/dbraw/zinc/80/88/29/543808829.db2.gz	UEGDHABWWQEZMM-IRXDYDNUSA-N	1	0	369.473	1.315	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000554714976	543858969	/nfs/dbraw/zinc/85/89/69/543858969.db2.gz	DWRWAXWHDOJQOY-IAGOWNOFSA-N	1	0	351.491	1.295	20	30		FDEDRO
CC(C)CN1CCO[C@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000555388673	543951029	/nfs/dbraw/zinc/95/10/29/543951029.db2.gz	FPKVRSLXWKHIPZ-QGZVFWFLSA-N	1	0	365.499	1.278	20	30		FDEDRO
C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)C2)C1	ZINC000555405525	543952548	/nfs/dbraw/zinc/95/25/48/543952548.db2.gz	JMJCTUPPTWRDGF-QGZVFWFLSA-N	1	0	351.447	1.945	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(S(=O)(=O)NC)CC1	ZINC000555612288	543987381	/nfs/dbraw/zinc/98/73/81/543987381.db2.gz	XMLYPIDKDBBHDV-INIZCTEOSA-N	1	0	368.499	1.168	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)Cc2ccc(Br)cc2O)CC1	ZINC000555936885	544059231	/nfs/dbraw/zinc/05/92/31/544059231.db2.gz	SXIKIDIVWNIEKQ-UHFFFAOYSA-N	1	0	352.232	1.801	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCn2ccnc2C1)C(C)C	ZINC000556203853	544117204	/nfs/dbraw/zinc/11/72/04/544117204.db2.gz	CLKHDKGFOFQAHQ-SJORKVTESA-N	1	0	373.501	1.129	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1	ZINC000556209100	544118121	/nfs/dbraw/zinc/11/81/21/544118121.db2.gz	UYFMVSSKRGAXTA-SFHVURJKSA-N	1	0	360.483	1.070	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1	ZINC000556209099	544118278	/nfs/dbraw/zinc/11/82/78/544118278.db2.gz	UYFMVSSKRGAXTA-GOSISDBHSA-N	1	0	360.483	1.070	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)Nc2cccc3c2CC[NH2+]C3)CC1	ZINC000557032595	544237064	/nfs/dbraw/zinc/23/70/64/544237064.db2.gz	QYQPNSRHFWIART-UHFFFAOYSA-N	1	0	362.437	1.953	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)NC[C@@H]3CCC[C@@H]([NH3+])C3)CC2)c1C#N	ZINC000557233089	544267388	/nfs/dbraw/zinc/26/73/88/544267388.db2.gz	SCVBWQDOULKTDX-ZIAGYGMSSA-N	1	0	362.503	1.672	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1ccc(Cl)cc1-n1cncn1	ZINC000557586786	544314096	/nfs/dbraw/zinc/31/40/96/544314096.db2.gz	ORAFRQBLMMAELK-UHFFFAOYSA-N	1	0	370.848	2.162	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC(OC(C)C)CC2)CC1	ZINC000557733346	544337748	/nfs/dbraw/zinc/33/77/48/544337748.db2.gz	SGLKOMALROKVJO-UHFFFAOYSA-N	1	0	351.491	1.559	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCC(=O)NCC#N	ZINC000557809482	544349305	/nfs/dbraw/zinc/34/93/05/544349305.db2.gz	RUVODHUOVAHPIH-HNNXBMFYSA-N	1	0	357.458	1.500	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@@H](SC)C2)CC1	ZINC000557768793	544343976	/nfs/dbraw/zinc/34/39/76/544343976.db2.gz	YPPOMFSVHCDJPB-HZPDHXFCSA-N	1	0	353.532	1.934	20	30		FDEDRO
Cn1c([C@@H]2CCOC2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000558445430	544434816	/nfs/dbraw/zinc/43/48/16/544434816.db2.gz	XYHAMPNTMXMTRG-GOSISDBHSA-N	1	0	366.469	1.903	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCCn2nc(C)cc2C)CC1	ZINC000559378536	544665376	/nfs/dbraw/zinc/66/53/76/544665376.db2.gz	VZMYTEURLRHJAD-UHFFFAOYSA-N	1	0	361.490	1.163	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)C1	ZINC000559716096	544773008	/nfs/dbraw/zinc/77/30/08/544773008.db2.gz	KHCCVRMGVAPTAT-NVXWUHKLSA-N	1	0	356.470	1.830	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1)C(C)C	ZINC000559866948	544826772	/nfs/dbraw/zinc/82/67/72/544826772.db2.gz	VMWPREVBEGCBFS-FJIDUMEYSA-N	1	0	363.502	1.031	20	30		FDEDRO
C=CCn1c([C@@H]2COCCO2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1	ZINC000560353182	544970238	/nfs/dbraw/zinc/97/02/38/544970238.db2.gz	WHDXUVLJMWMUBK-WBVHZDCISA-N	1	0	361.490	1.863	20	30		FDEDRO
C[C@H]([NH2+]CCCn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccc(C#N)cc1	ZINC000299559671	259006444	/nfs/dbraw/zinc/00/64/44/259006444.db2.gz	GQPPYDGDQCOIAC-ZDUSSCGKSA-N	1	0	366.425	1.046	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)[C@@H](C)C1	ZINC000302762130	259045523	/nfs/dbraw/zinc/04/55/23/259045523.db2.gz	KNPHGMKJNYSIJE-STQMWFEESA-N	1	0	355.398	1.906	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1	ZINC000329123272	259078922	/nfs/dbraw/zinc/07/89/22/259078922.db2.gz	XCSNGUIEIKSXCP-SJORKVTESA-N	1	0	370.497	1.952	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@@]4(CC[N@@H+](C)C4)C3)CC2)o1	ZINC000329238140	259086423	/nfs/dbraw/zinc/08/64/23/259086423.db2.gz	PLJPUKWZBVEVQS-LJQANCHMSA-N	1	0	357.458	1.625	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C[C@H]1[NH+](C)C	ZINC000330562216	259150733	/nfs/dbraw/zinc/15/07/33/259150733.db2.gz	AIAQJZFLULNMQV-ZIAGYGMSSA-N	1	0	359.904	1.878	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1	ZINC000331281394	259184959	/nfs/dbraw/zinc/18/49/59/259184959.db2.gz	QUHGKWMFSYVBGP-MRXNPFEDSA-N	1	0	351.472	1.238	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1	ZINC000331908325	259227754	/nfs/dbraw/zinc/22/77/54/259227754.db2.gz	ANCGBLJYMROTBX-PKOBYXMFSA-N	1	0	370.497	1.954	20	30		FDEDRO
CO[C@H]1CC[N@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)[C@H](C)C1	ZINC000332266443	259253467	/nfs/dbraw/zinc/25/34/67/259253467.db2.gz	DGQPNFRCARTVJX-HIFRSBDPSA-N	1	0	361.446	1.003	20	30		FDEDRO
C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000332285641	259254818	/nfs/dbraw/zinc/25/48/18/259254818.db2.gz	IECXVEUOQGLKMU-CXAGYDPISA-N	1	0	352.442	1.738	20	30		FDEDRO
CO[C@]1(C)CCC[N@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1	ZINC000332405780	259264232	/nfs/dbraw/zinc/26/42/32/259264232.db2.gz	OXCSEDIHYIWCBI-GOSISDBHSA-N	1	0	361.446	1.004	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C	ZINC000332568594	259278028	/nfs/dbraw/zinc/27/80/28/259278028.db2.gz	CAFISTCSJZRLKY-UONOGXRCSA-N	1	0	354.458	1.701	20	30		FDEDRO
CN1C(=O)NCC12CC[NH+]([C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2	ZINC000333709026	259372379	/nfs/dbraw/zinc/37/23/79/259372379.db2.gz	ICJHSBXNQPWHAK-QGZVFWFLSA-N	1	0	367.453	1.543	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1C#N	ZINC000333735821	259375812	/nfs/dbraw/zinc/37/58/12/259375812.db2.gz	WXJQIIIYKOTPHZ-NVXWUHKLSA-N	1	0	363.483	1.774	20	30		FDEDRO
N#Cc1cc(NC2CC[NH+](CC(=O)N3CCCC3)CC2)cc(N)c1[N+](=O)[O-]	ZINC000367719633	260081333	/nfs/dbraw/zinc/08/13/33/260081333.db2.gz	HLCCVDCADRZLAH-UHFFFAOYSA-N	1	0	372.429	1.547	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](N3CCC[C@@H](N4CCNC4=O)C3)C2=O)cc1	ZINC000368017356	260123230	/nfs/dbraw/zinc/12/32/30/260123230.db2.gz	JUNRPKAVQJDCGS-MSOLQXFVSA-N	1	0	367.453	1.543	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21	ZINC000368021843	260124168	/nfs/dbraw/zinc/12/41/68/260124168.db2.gz	TYGYWSNSULYDKW-YJBOKZPZSA-N	1	0	366.469	1.703	20	30		FDEDRO
CC(C)NC(=O)CN1CCC[N@H+](CCCOc2cccc(C#N)c2)CC1	ZINC000368695357	260222636	/nfs/dbraw/zinc/22/26/36/260222636.db2.gz	SQURRGKMJWCIAD-UHFFFAOYSA-N	1	0	358.486	1.859	20	30		FDEDRO
CCC[NH+]1CCN(C2CCN(C(=O)c3ccc(C#N)c(C)n3)CC2)CC1	ZINC000369158286	260304398	/nfs/dbraw/zinc/30/43/98/260304398.db2.gz	RMOSTOPRPDIGHW-UHFFFAOYSA-N	1	0	355.486	1.894	20	30		FDEDRO
N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000369348888	260345891	/nfs/dbraw/zinc/34/58/91/260345891.db2.gz	VSTNDSYOJQIBEA-CQSZACIVSA-N	1	0	369.391	1.790	20	30		FDEDRO
N#Cc1ccc(OC2CN(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)cc1	ZINC000373421414	261009270	/nfs/dbraw/zinc/00/92/70/261009270.db2.gz	HKFWEQANIJIDDW-DOTOQJQBSA-N	1	0	356.426	1.194	20	30		FDEDRO
Cn1cc(C[NH2+]C[C@H]2CCCN(c3nccn4cnnc34)C2)cc1C#N	ZINC000373610241	261024613	/nfs/dbraw/zinc/02/46/13/261024613.db2.gz	JYTJIZMHLZKHFQ-CQSZACIVSA-N	1	0	350.430	1.341	20	30		FDEDRO
COCCn1cc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1	ZINC000373813437	261043588	/nfs/dbraw/zinc/04/35/88/261043588.db2.gz	UQELLLMOJDCTLT-GOSISDBHSA-N	1	0	353.426	1.292	20	30		FDEDRO
C[NH+]1CCN(C[C@H]2CCCN(S(=O)(=O)c3ccc(C#N)s3)C2)CC1	ZINC000373815589	261044057	/nfs/dbraw/zinc/04/40/57/261044057.db2.gz	QQNRYXDBCQCPGP-CQSZACIVSA-N	1	0	368.528	1.268	20	30		FDEDRO
COC(=O)c1ccnc(N2CCC[N@H+](Cc3cc(C#N)n(C)c3)CC2)c1	ZINC000375461286	261345261	/nfs/dbraw/zinc/34/52/61/261345261.db2.gz	DTMFLPOYSRUHGX-UHFFFAOYSA-N	1	0	353.426	1.791	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cn3ccccc3c2C#N)C[C@H]1C(=O)N1CCOCC1	ZINC000375478053	261349132	/nfs/dbraw/zinc/34/91/32/261349132.db2.gz	JJKRGSOBXBZJQD-CRAIPNDOSA-N	1	0	352.438	1.738	20	30		FDEDRO
C[C@@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1=O)c1ccc(C#N)s1	ZINC000378573421	262047573	/nfs/dbraw/zinc/04/75/73/262047573.db2.gz	ZESIICOFXMSJAG-ZBFHGGJFSA-N	1	0	362.499	1.594	20	30		FDEDRO
C[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)n1cnc(C#N)n1	ZINC000409600261	262128587	/nfs/dbraw/zinc/12/85/87/262128587.db2.gz	IBIQWTAETNRGTP-KGLIPLIRSA-N	1	0	358.471	1.801	20	30		FDEDRO
C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)n1cnc(C#N)n1	ZINC000409780224	262139707	/nfs/dbraw/zinc/13/97/07/262139707.db2.gz	RNFUAECKMKNWQP-BFYDXBDKSA-N	1	0	352.442	1.738	20	30		FDEDRO
CCN(C(=O)[C@H](C)n1cnc(C#N)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000409939637	262145872	/nfs/dbraw/zinc/14/58/72/262145872.db2.gz	XULNEHGQWZUIPR-RDJZCZTQSA-N	1	0	352.442	1.834	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)nn1CCC#N	ZINC000504062590	490787427	/nfs/dbraw/zinc/78/74/27/490787427.db2.gz	WSYWTNFNFUYXEM-ZIAGYGMSSA-N	1	0	360.462	1.423	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)C[NH+]2CCCCC2)c1	ZINC000027756287	519197014	/nfs/dbraw/zinc/19/70/14/519197014.db2.gz	BQFXPTTZZGZDQX-OAHLLOKOSA-N	1	0	363.483	1.202	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1	ZINC000041897520	519671584	/nfs/dbraw/zinc/67/15/84/519671584.db2.gz	NUPSMDGGPKVUKE-KRWDZBQOSA-N	1	0	370.453	1.458	20	30		FDEDRO
COCC[N@H+](CCn1nc2ccccn2c1=O)Cc1ccc(C#N)cc1	ZINC000069072035	521795702	/nfs/dbraw/zinc/79/57/02/521795702.db2.gz	QWVIIHBOGDIUSH-UHFFFAOYSA-N	1	0	351.410	1.516	20	30		FDEDRO
CC[NH+](CC)[C@H](CNS(=O)(=O)N(C)CCC#N)Cc1ccccc1	ZINC000042994245	521806326	/nfs/dbraw/zinc/80/63/26/521806326.db2.gz	BHPQDKDPTITUPE-KRWDZBQOSA-N	1	0	352.504	1.619	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H]3COCCO3)CC2)cc1	ZINC000057081820	522000864	/nfs/dbraw/zinc/00/08/64/522000864.db2.gz	CJWDHPKMWDODBF-SFHVURJKSA-N	1	0	358.442	1.191	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC[NH+](CC)CC)cc1	ZINC000071919925	522141008	/nfs/dbraw/zinc/14/10/08/522141008.db2.gz	PVOFFIUOFGFPTH-UHFFFAOYSA-N	1	0	368.503	1.956	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)Cn1nnc2ccccc2c1=O)C(C)C	ZINC000046018402	522205462	/nfs/dbraw/zinc/20/54/62/522205462.db2.gz	UYSZTDOQPATOIC-GOSISDBHSA-N	1	0	369.469	1.606	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+](CC(N)=O)CC(C)C)c(OC)c1	ZINC000046061492	522217215	/nfs/dbraw/zinc/21/72/15/522217215.db2.gz	AJDJYWHKWLTKER-INIZCTEOSA-N	1	0	350.459	1.607	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1	ZINC000046993336	522416186	/nfs/dbraw/zinc/41/61/86/522416186.db2.gz	CGQBJJIFNIHSCY-IAGOWNOFSA-N	1	0	363.483	1.508	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC[N@H+]1CCC[C@H](C)C1	ZINC000047147094	522458597	/nfs/dbraw/zinc/45/85/97/522458597.db2.gz	GYJLGYRTFHDSEV-AWEZNQCLSA-N	1	0	368.485	1.999	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000073558595	522545922	/nfs/dbraw/zinc/54/59/22/522545922.db2.gz	BLWQTHXWDNRGJJ-OAHLLOKOSA-N	1	0	364.471	1.093	20	30		FDEDRO
CC(C)[C@H](CNC(=O)NCc1cc(C#N)ccc1F)[NH+]1CCN(C)CC1	ZINC000073595692	522556672	/nfs/dbraw/zinc/55/66/72/522556672.db2.gz	YJOWCFCFJHLLKF-SFHVURJKSA-N	1	0	361.465	1.769	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N(C)Cc1c(F)cccc1Cl	ZINC000073773119	522604724	/nfs/dbraw/zinc/60/47/24/522604724.db2.gz	PIEBZJXHJRCSQF-NSHDSACASA-N	1	0	361.870	1.921	20	30		FDEDRO
COCCn1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cn1	ZINC000047876531	522612860	/nfs/dbraw/zinc/61/28/60/522612860.db2.gz	JMGWOTUTWYUGOF-UHFFFAOYSA-N	1	0	370.457	1.997	20	30		FDEDRO
Cc1cccc2c1ncn(CC(=O)N(CCC#N)CCC[NH+](C)C)c2=O	ZINC000064361438	522708301	/nfs/dbraw/zinc/70/83/01/522708301.db2.gz	WUMRMGGFHHEFPM-UHFFFAOYSA-N	1	0	355.442	1.399	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1nc2ncccn2n1	ZINC000065930508	522922103	/nfs/dbraw/zinc/92/21/03/522922103.db2.gz	UPMNYJKVHLBNED-UHFFFAOYSA-N	1	0	363.425	1.129	20	30		FDEDRO
C[C@@H](Sc1nncn1C)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000065930403	522922501	/nfs/dbraw/zinc/92/25/01/522922501.db2.gz	GUVRRHJCBIDJDD-CQSZACIVSA-N	1	0	372.498	1.758	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)NCC#Cc3ccccc3)CC2)CC1	ZINC000051268618	523003297	/nfs/dbraw/zinc/00/32/97/523003297.db2.gz	FQGAYELLBLMZQF-UHFFFAOYSA-N	1	0	354.498	1.896	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1	ZINC000076281049	523063162	/nfs/dbraw/zinc/06/31/62/523063162.db2.gz	AGHLFYURGQWWJL-HNNXBMFYSA-N	1	0	359.401	1.473	20	30		FDEDRO
O=C(Nc1ncn(Cc2ccccc2)n1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1	ZINC000076333650	523080728	/nfs/dbraw/zinc/08/07/28/523080728.db2.gz	ATXUHISLNPMHQT-AWEZNQCLSA-N	1	0	354.414	1.267	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)[C@H](C)Oc1ccccc1C#N)[NH+]1CCN(C)CC1	ZINC000076484074	523122181	/nfs/dbraw/zinc/12/21/81/523122181.db2.gz	RNCROTPIIZFHHY-FUHWJXTLSA-N	1	0	358.486	1.714	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	ZINC000076575879	523139820	/nfs/dbraw/zinc/13/98/20/523139820.db2.gz	CAYMYYSGSFGXNT-MQVJKMGUSA-N	1	0	373.428	1.908	20	30		FDEDRO
COc1ccccc1N1C[C@@H](C(=O)NC2(C#N)CC[NH+](C)CC2)CC1=O	ZINC000077037658	523238473	/nfs/dbraw/zinc/23/84/73/523238473.db2.gz	GGJWOWGQYIFRSH-AWEZNQCLSA-N	1	0	356.426	1.152	20	30		FDEDRO
Cc1ccc(CN2C[C@H](C(=O)NC3(C#N)CC[NH+](C)CC3)CC2=O)cc1	ZINC000077037329	523238660	/nfs/dbraw/zinc/23/86/60/523238660.db2.gz	CGWCMJNUXPYVDP-QGZVFWFLSA-N	1	0	354.454	1.448	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)CC1	ZINC000077039757	523241765	/nfs/dbraw/zinc/24/17/65/523241765.db2.gz	MBSKYBAHFTUCHX-LBPRGKRZSA-N	1	0	362.380	1.422	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)cc1	ZINC000077536865	523376381	/nfs/dbraw/zinc/37/63/81/523376381.db2.gz	LIKTXYSKLIWFGP-UHFFFAOYSA-N	1	0	373.501	1.750	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NCC[N@H+]2CCCC[C@@H]2C)c1	ZINC000077608665	523394831	/nfs/dbraw/zinc/39/48/31/523394831.db2.gz	XOZOMFAZGCSFDB-HNNXBMFYSA-N	1	0	365.499	1.755	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1	ZINC000067383231	523416241	/nfs/dbraw/zinc/41/62/41/523416241.db2.gz	CFEGKSOCVXLQKQ-UHFFFAOYSA-N	1	0	356.474	1.706	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1ncn(Cc2ccccc2)n1)[NH+]1CCCC1	ZINC000077697136	523419930	/nfs/dbraw/zinc/41/99/30/523419930.db2.gz	YPVSTHWUHAROCP-AWEZNQCLSA-N	1	0	356.430	1.515	20	30		FDEDRO
C[C@H]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC[N@@H+]1Cc1ccccc1	ZINC000078689625	523638412	/nfs/dbraw/zinc/63/84/12/523638412.db2.gz	AESKMKRFHYALOH-HNNXBMFYSA-N	1	0	367.453	1.056	20	30		FDEDRO
Cc1csc(CNC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)n1	ZINC000079175757	523719242	/nfs/dbraw/zinc/71/92/42/523719242.db2.gz	SOHHYJGKBWRKNX-ZDUSSCGKSA-N	1	0	370.544	1.864	20	30		FDEDRO
CCCC[C@@H](NC(N)=O)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000068309927	523755579	/nfs/dbraw/zinc/75/55/79/523755579.db2.gz	QFCKVKYDYHEKLD-QGZVFWFLSA-N	1	0	359.474	1.676	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCc2c[nH]nc2C1	ZINC000079790227	523792964	/nfs/dbraw/zinc/79/29/64/523792964.db2.gz	VGJLBVOLLPPUSC-QGZVFWFLSA-N	1	0	351.454	1.977	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1	ZINC000080019045	523821740	/nfs/dbraw/zinc/82/17/40/523821740.db2.gz	RKPNUGCSARNVDX-ZDUSSCGKSA-N	1	0	360.845	1.797	20	30		FDEDRO
CCCc1nc(CON=C(N)c2ccccc2C[NH+]2CCC(O)CC2)no1	ZINC000068776648	523856834	/nfs/dbraw/zinc/85/68/34/523856834.db2.gz	OIFRPGXSNSPCJH-UHFFFAOYSA-N	1	0	373.457	1.816	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1	ZINC000110609494	524110217	/nfs/dbraw/zinc/11/02/17/524110217.db2.gz	GPTVFNGJEFTCMI-HNNXBMFYSA-N	1	0	364.471	1.011	20	30		FDEDRO
N#CCOc1ccc(CC(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1	ZINC000110633082	524115103	/nfs/dbraw/zinc/11/51/03/524115103.db2.gz	VGQWZRCQKVKHQG-UHFFFAOYSA-N	1	0	357.454	1.702	20	30		FDEDRO
C[N@H+](Cc1ccccc1)[C@H]1CCN(CC(=O)N(CCC#N)CCC#N)C1	ZINC000081532468	524143267	/nfs/dbraw/zinc/14/32/67/524143267.db2.gz	XEXCJVAYEPDTHT-IBGZPJMESA-N	1	0	353.470	1.849	20	30		FDEDRO
C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)[NH+]1CCC(C)CC1	ZINC000156850126	524162475	/nfs/dbraw/zinc/16/24/75/524162475.db2.gz	VKMRWAYSUMJNKJ-ZDUSSCGKSA-N	1	0	366.443	1.865	20	30		FDEDRO
N#Cc1ccc([C@H]([NH2+]CC2(CN3CCOCC3)CCCCC2)C(N)=O)cc1	ZINC000083032745	524233570	/nfs/dbraw/zinc/23/35/70/524233570.db2.gz	KQKAPHYQLSSOBZ-IBGZPJMESA-N	1	0	370.497	1.957	20	30		FDEDRO
[NH2+]=C(NC[C@H](O)COc1ccc(F)cc1)N[C@@H]1CCOc2ccccc21	ZINC000083033581	524233664	/nfs/dbraw/zinc/23/36/64/524233664.db2.gz	WYEMGAJZFZSHIO-WMLDXEAASA-N	1	0	359.401	1.994	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](C(=O)NC)C2)c(OC)c1	ZINC000111262913	524238880	/nfs/dbraw/zinc/23/88/80/524238880.db2.gz	AVCFNNSKGOLBQD-SJORKVTESA-N	1	0	362.470	1.621	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)C1	ZINC000083174410	524243251	/nfs/dbraw/zinc/24/32/51/524243251.db2.gz	NFCQMFYZPFKIBE-DLBZAZTESA-N	1	0	373.526	1.437	20	30		FDEDRO
CCC[C@@H]1CN(CC(=O)NC2(C#N)CCCCC2)CC[N@@H+]1CCOC	ZINC000121629784	524311891	/nfs/dbraw/zinc/31/18/91/524311891.db2.gz	LUMBLECYJIZFCP-QGZVFWFLSA-N	1	0	350.507	1.762	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(OC(F)F)c2)CC1	ZINC000173273656	524358705	/nfs/dbraw/zinc/35/87/05/524358705.db2.gz	XIUCVFSWPJMVKO-UHFFFAOYSA-N	1	0	353.369	1.993	20	30		FDEDRO
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)Nc2ccn(CCC#N)n2)CC1	ZINC000173362999	524373526	/nfs/dbraw/zinc/37/35/26/524373526.db2.gz	PLVLPDQAMRNWEY-IAGOWNOFSA-N	1	0	373.505	1.819	20	30		FDEDRO
C=CC1CCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC1	ZINC000111912863	524376287	/nfs/dbraw/zinc/37/62/87/524376287.db2.gz	XRHKREKSJOWUHT-UHFFFAOYSA-N	1	0	370.497	1.797	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)c1ccccc1	ZINC000086432082	524387060	/nfs/dbraw/zinc/38/70/60/524387060.db2.gz	FTNWMDDVMWLZQE-HNNXBMFYSA-N	1	0	354.414	1.154	20	30		FDEDRO
CCC(CC)[C@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)[NH+]1CCCC1	ZINC000086446212	524389401	/nfs/dbraw/zinc/38/94/01/524389401.db2.gz	QYRNWBUUAFRADK-INIZCTEOSA-N	1	0	374.489	1.752	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)Cc1ccccc1	ZINC000086432484	524389608	/nfs/dbraw/zinc/38/96/08/524389608.db2.gz	HYARLYYLYYLMFY-INIZCTEOSA-N	1	0	368.441	1.024	20	30		FDEDRO
CCCC[N@H+](C)CC1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1	ZINC000086449814	524392297	/nfs/dbraw/zinc/39/22/97/524392297.db2.gz	UATQFQRZDRTYCK-UHFFFAOYSA-N	1	0	374.489	1.706	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCO1	ZINC000112217020	524429256	/nfs/dbraw/zinc/42/92/56/524429256.db2.gz	BYCZRRAXXCRBBJ-OAHLLOKOSA-N	1	0	352.504	1.672	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2sccc2C#N)cc1	ZINC000112294034	524449381	/nfs/dbraw/zinc/44/93/81/524449381.db2.gz	MMENUXMZRWXBAY-UHFFFAOYSA-N	1	0	356.451	1.841	20	30		FDEDRO
CCC[NH+]1CCC(N2CCN(CC(=O)N[C@](C)(C#N)C3CC3)CC2)CC1	ZINC000112358079	524468513	/nfs/dbraw/zinc/46/85/13/524468513.db2.gz	CSRXFUVJGFYRHQ-HXUWFJFHSA-N	1	0	361.534	1.287	20	30		FDEDRO
CC(C)(C#N)c1ccc(NC(=O)C(=O)NCCC[NH+]2CCC(O)CC2)cc1	ZINC000122179998	524471819	/nfs/dbraw/zinc/47/18/19/524471819.db2.gz	OWJWGEKWLNHGNC-UHFFFAOYSA-N	1	0	372.469	1.389	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)C(C)(C)C)N[C@H]1CCOc2ccccc21	ZINC000088869218	524473866	/nfs/dbraw/zinc/47/38/66/524473866.db2.gz	NCHKKEQTCCOXRQ-AWEZNQCLSA-N	1	0	353.488	1.889	20	30		FDEDRO
CS(=O)(=O)N[C@@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1	ZINC000122199567	524476718	/nfs/dbraw/zinc/47/67/18/524476718.db2.gz	BXBAECCSHCIZMY-CYBMUJFWSA-N	1	0	362.373	1.560	20	30		FDEDRO
Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCOC[C@H]2C#N)CC1	ZINC000089130895	524479358	/nfs/dbraw/zinc/47/93/58/524479358.db2.gz	BRLTYYVLCILACV-LJQANCHMSA-N	1	0	356.470	1.300	20	30		FDEDRO
C=CCCOCCNC(=O)N1CCN(C2CC[NH+](CCC)CC2)CC1	ZINC000122420064	524530801	/nfs/dbraw/zinc/53/08/01/524530801.db2.gz	QMVZXWLEADSZGE-UHFFFAOYSA-N	1	0	352.523	1.781	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)Cc1cccc(OCC#N)c1	ZINC000089812846	524531144	/nfs/dbraw/zinc/53/11/44/524531144.db2.gz	SLFYZSFYXRVWSG-UHFFFAOYSA-N	1	0	366.421	1.931	20	30		FDEDRO
CCOc1cccc(CNC(=O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1	ZINC000089943721	524556160	/nfs/dbraw/zinc/55/61/60/524556160.db2.gz	IJZONKAWKBFZJS-UHFFFAOYSA-N	1	0	370.457	1.443	20	30		FDEDRO
CC(C)(CCC#N)C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000174404654	524566827	/nfs/dbraw/zinc/56/68/27/524566827.db2.gz	CPCIGSMLISVBRD-UHFFFAOYSA-N	1	0	354.432	1.793	20	30		FDEDRO
C[NH+]=C(NCc1cc(F)ccc1F)N[C@@H]1CCc2nc(COC)nn2C1	ZINC000159147642	524604138	/nfs/dbraw/zinc/60/41/38/524604138.db2.gz	FKMCNPHBXBNMCY-CYBMUJFWSA-N	1	0	364.400	1.383	20	30		FDEDRO
COCc1nc2n(n1)C[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)CC2	ZINC000151530059	524604368	/nfs/dbraw/zinc/60/43/68/524604368.db2.gz	MIVBAHIYRKNFSS-MRXNPFEDSA-N	1	0	354.458	1.879	20	30		FDEDRO
C[NH+](C)CCC1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1	ZINC000091208593	524661846	/nfs/dbraw/zinc/66/18/46/524661846.db2.gz	XUESZTYVFIQATN-UHFFFAOYSA-N	1	0	374.489	1.639	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1	ZINC000174634436	524665433	/nfs/dbraw/zinc/66/54/33/524665433.db2.gz	JEHAGSYDQDKDBA-AWEZNQCLSA-N	1	0	361.417	1.624	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NCC[N@H+](C)C2CCCCC2)n1	ZINC000091229109	524669616	/nfs/dbraw/zinc/66/96/16/524669616.db2.gz	YEHDKQMBGHWESJ-UHFFFAOYSA-N	1	0	360.462	1.655	20	30		FDEDRO
N#Cc1ccc(OCC[NH2+]C2CCN(CCN3CCOCC3)CC2)cc1	ZINC000113439083	524684376	/nfs/dbraw/zinc/68/43/76/524684376.db2.gz	WSVQMTZNCDUFDC-UHFFFAOYSA-N	1	0	358.486	1.323	20	30		FDEDRO
C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1	ZINC000113645848	524715441	/nfs/dbraw/zinc/71/54/41/524715441.db2.gz	JBGPBUYTACNZSM-LBPRGKRZSA-N	1	0	366.368	1.508	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCC1CC[NH+](C)CC1	ZINC000123446238	524751828	/nfs/dbraw/zinc/75/18/28/524751828.db2.gz	BYJNNIGCYOCJED-HNNXBMFYSA-N	1	0	371.489	1.300	20	30		FDEDRO
COCC[N@H+](C)CCOc1cccc(CNC(=O)c2ccc(C#N)[nH]2)c1	ZINC000123510857	524766919	/nfs/dbraw/zinc/76/69/19/524766919.db2.gz	BFGNSEUZVVYVQV-UHFFFAOYSA-N	1	0	356.426	1.773	20	30		FDEDRO
Cc1cc(CON=C(N)CCN2CC[NH+](Cc3ccccc3)CC2)no1	ZINC000123525850	524769770	/nfs/dbraw/zinc/76/97/70/524769770.db2.gz	YIMYZLPTVRHCQM-UHFFFAOYSA-N	1	0	357.458	1.980	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)CC[C@@H]2CCCC[N@@H+]2C)CC1	ZINC000092618881	524900090	/nfs/dbraw/zinc/90/00/90/524900090.db2.gz	HGZVIVCVHVGHGM-OALUTQOASA-N	1	0	363.550	1.485	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCC(n3ccnc3)CC2)CC1	ZINC000092619031	524901929	/nfs/dbraw/zinc/90/19/29/524901929.db2.gz	UATYCMQJDCOWDS-GOSISDBHSA-N	1	0	358.490	1.212	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C)CC[NH+]2CCCC2)cc1	ZINC000124151563	524915378	/nfs/dbraw/zinc/91/53/78/524915378.db2.gz	ZBOOTOWSFLKILX-UHFFFAOYSA-N	1	0	358.442	1.095	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1cccc(-c2ccccn2)c1	ZINC000160790071	524970716	/nfs/dbraw/zinc/97/07/16/524970716.db2.gz	BQGBITPIJAZUCX-UHFFFAOYSA-N	1	0	353.470	1.875	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1C#N	ZINC000160981985	525008960	/nfs/dbraw/zinc/00/89/60/525008960.db2.gz	HTWNKOMMKSIXJG-KRWDZBQOSA-N	1	0	370.453	1.981	20	30		FDEDRO
COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)CC2	ZINC000124640674	525040176	/nfs/dbraw/zinc/04/01/76/525040176.db2.gz	GLCHAQHXWWXEOW-WFASDCNBSA-N	1	0	354.414	1.228	20	30		FDEDRO
CC[NH+]=C(NCc1c(C)nn(C)c1C)N[C@H]1CCc2nnc(C(C)C)n2C1	ZINC000176157789	525059222	/nfs/dbraw/zinc/05/92/22/525059222.db2.gz	LNALELLFFQVWIY-HNNXBMFYSA-N	1	0	372.521	1.822	20	30		FDEDRO
COc1ccccc1CN(C)C(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153290673	525169275	/nfs/dbraw/zinc/16/92/75/525169275.db2.gz	FDXQCUZPAMGCIW-UHFFFAOYSA-N	1	0	370.457	1.395	20	30		FDEDRO
COc1ccc(CNC(=O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)cc1	ZINC000125472505	525202322	/nfs/dbraw/zinc/20/23/22/525202322.db2.gz	XMJZDLMJJOIOHX-UHFFFAOYSA-N	1	0	356.430	1.053	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1	ZINC000177106354	525239401	/nfs/dbraw/zinc/23/94/01/525239401.db2.gz	VPQPALSEXJGPOS-UHFFFAOYSA-N	1	0	372.469	1.811	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1	ZINC000177179969	525252770	/nfs/dbraw/zinc/25/27/70/525252770.db2.gz	ABVGIKYNSFQIMX-ZFWWWQNUSA-N	1	0	363.483	1.506	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1Cl	ZINC000126293661	525293994	/nfs/dbraw/zinc/29/39/94/525293994.db2.gz	BMEQFKVOFLFRBT-UHFFFAOYSA-N	1	0	360.845	1.592	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000103150609	525332384	/nfs/dbraw/zinc/33/23/84/525332384.db2.gz	AFICULBYBYNNAN-QGZVFWFLSA-N	1	0	350.507	1.040	20	30		FDEDRO
COCCNS(=O)(=O)c1cccc(C[NH2+]Cc2cc(C#N)cs2)c1	ZINC000177703327	525332793	/nfs/dbraw/zinc/33/27/93/525332793.db2.gz	OBYMXYRIJHXEJW-UHFFFAOYSA-N	1	0	365.480	1.834	20	30		FDEDRO
N#Cc1ccc(Cl)cc1NC(=O)CN1CC[NH+](C2CCOCC2)CC1	ZINC000177752041	525341631	/nfs/dbraw/zinc/34/16/31/525341631.db2.gz	KIBZLPQDBNKARW-UHFFFAOYSA-N	1	0	362.861	1.947	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)CN1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1	ZINC000154003155	525388905	/nfs/dbraw/zinc/38/89/05/525388905.db2.gz	YZNKUEMNWDKMDR-GGPKGHCWSA-N	1	0	363.550	1.531	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccn1	ZINC000178470692	525432825	/nfs/dbraw/zinc/43/28/25/525432825.db2.gz	HPIFOEDJCWKWJQ-UHFFFAOYSA-N	1	0	365.437	1.791	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1	ZINC000178459529	525434361	/nfs/dbraw/zinc/43/43/61/525434361.db2.gz	UAIGJOJBDJCBIJ-MRXNPFEDSA-N	1	0	358.442	1.374	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO	ZINC000178485252	525437067	/nfs/dbraw/zinc/43/70/67/525437067.db2.gz	PJJNURZULAGMDK-MRXNPFEDSA-N	1	0	358.442	1.158	20	30		FDEDRO
N#Cc1cccc(OC2CC[NH+](C[C@H](O)COC[C@@H]3CCCO3)CC2)c1	ZINC000104963098	525455198	/nfs/dbraw/zinc/45/51/98/525455198.db2.gz	ONHAVVNGELPHTR-PXNSSMCTSA-N	1	0	360.454	1.958	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)[N@H+](C)C1CC1	ZINC000118127617	525474393	/nfs/dbraw/zinc/47/43/93/525474393.db2.gz	CLLALHBHHHJZDR-SNVBAGLBSA-N	1	0	366.368	1.697	20	30		FDEDRO
CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C	ZINC000128257634	525520079	/nfs/dbraw/zinc/52/00/79/525520079.db2.gz	XBDSGVVVGUAZBR-MRXNPFEDSA-N	1	0	371.485	1.884	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CN(C)S(=O)(=O)c2ccccc2)CC1	ZINC000106036540	525553803	/nfs/dbraw/zinc/55/38/03/525553803.db2.gz	RNXJECQHSQYVKA-UHFFFAOYSA-N	1	0	365.499	1.464	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CCc2c(C)nc3ncnn3c2C)CC1	ZINC000106039083	525554432	/nfs/dbraw/zinc/55/44/32/525554432.db2.gz	JKQUTVJWPQADQS-UHFFFAOYSA-N	1	0	356.474	1.830	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000106040340	525554734	/nfs/dbraw/zinc/55/47/34/525554734.db2.gz	DOWPDBWNVOSHEU-AWEZNQCLSA-N	1	0	374.441	1.870	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	ZINC000129141484	525619765	/nfs/dbraw/zinc/61/97/65/525619765.db2.gz	PHBCHUMQUBZNKD-UHFFFAOYSA-N	1	0	371.401	1.483	20	30		FDEDRO
C[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1	ZINC000154725033	525621609	/nfs/dbraw/zinc/62/16/09/525621609.db2.gz	LXDBFNMWNOAEBF-IBPDABBASA-N	1	0	352.460	1.565	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)c1	ZINC000154745093	525627457	/nfs/dbraw/zinc/62/74/57/525627457.db2.gz	VTJFLISFALNWLZ-LJQANCHMSA-N	1	0	369.465	1.708	20	30		FDEDRO
COCC[N@H+](C)CCCC1CCN(C(=O)C2(C#N)CCOCC2)CC1	ZINC000129475152	525658395	/nfs/dbraw/zinc/65/83/95/525658395.db2.gz	ZCWQCAHSADVYHN-UHFFFAOYSA-N	1	0	351.491	1.904	20	30		FDEDRO
C=CCC[C@@H]([NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1	ZINC000180259652	525679266	/nfs/dbraw/zinc/67/92/66/525679266.db2.gz	QYBDYLFRMMHQKV-MRXNPFEDSA-N	1	0	367.453	1.731	20	30		FDEDRO
N#CCCCCS(=O)(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO	ZINC000180377906	525697995	/nfs/dbraw/zinc/69/79/95/525697995.db2.gz	GTHQHBWDODEDAW-SFHVURJKSA-N	1	0	365.499	1.757	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1	ZINC000119473638	525757925	/nfs/dbraw/zinc/75/79/25/525757925.db2.gz	GWUYSWQXFCJHKZ-LJQANCHMSA-N	1	0	355.482	1.941	20	30		FDEDRO
COc1ccccc1CNC(=[NH2+])NCc1cccc(CS(C)(=O)=O)c1	ZINC000170912467	525767763	/nfs/dbraw/zinc/76/77/63/525767763.db2.gz	LNFYCKRXYIAQIP-UHFFFAOYSA-N	1	0	361.467	1.844	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NC[C@]2(O)CCc3ccccc32)cc1OC	ZINC000130917790	525808135	/nfs/dbraw/zinc/80/81/35/525808135.db2.gz	HQKMTFGAODXLDM-OAQYLSRUSA-N	1	0	369.465	1.985	20	30		FDEDRO
C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000171075351	525827161	/nfs/dbraw/zinc/82/71/61/525827161.db2.gz	BBXDUYLAHKJCPC-OKILXGFUSA-N	1	0	350.488	1.988	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)N1CCN(c2ccccn2)CC1	ZINC000155405637	525854329	/nfs/dbraw/zinc/85/43/29/525854329.db2.gz	PGCULUIKBZFLLC-NXHRZFHOSA-N	1	0	357.502	1.983	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CCCC[C@H]1C	ZINC000181665750	525887140	/nfs/dbraw/zinc/88/71/40/525887140.db2.gz	JCWRDBQAZSLLQO-CABCVRRESA-N	1	0	358.442	1.907	20	30		FDEDRO
COCC[N@H+](C)CCOc1cccc(CNC(=O)c2ccc(C#N)cn2)c1	ZINC000107590364	525898301	/nfs/dbraw/zinc/89/83/01/525898301.db2.gz	PYUUZGKQGPSVSO-UHFFFAOYSA-N	1	0	368.437	1.840	20	30		FDEDRO
CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1cccc(S(N)(=O)=O)c1	ZINC000181743623	525915765	/nfs/dbraw/zinc/91/57/65/525915765.db2.gz	GFZWNVNRZQOWAU-SWLSCSKDSA-N	1	0	352.460	1.135	20	30		FDEDRO
Cc1cc(OCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c(C#N)c(C)n1	ZINC000119960076	525921059	/nfs/dbraw/zinc/92/10/59/525921059.db2.gz	RGNXPXOLEIGWMC-MRXNPFEDSA-N	1	0	360.458	1.422	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1	ZINC000155805271	525978694	/nfs/dbraw/zinc/97/86/94/525978694.db2.gz	CXOFQBNTNHLPIA-CRAIPNDOSA-N	1	0	356.470	1.739	20	30		FDEDRO
N#CCCn1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1	ZINC000155930846	526012142	/nfs/dbraw/zinc/01/21/42/526012142.db2.gz	ZXKWGHSEWBIKHR-HOCLYGCPSA-N	1	0	370.457	1.211	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)[C@@H]1CCCN(CC(F)(F)F)C1=O	ZINC000120297439	526019847	/nfs/dbraw/zinc/01/98/47/526019847.db2.gz	MTBKIJMHHRFQBD-GFCCVEGCSA-N	1	0	358.368	1.281	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(S(C)(=O)=O)cc2)CC1	ZINC000171554047	526032203	/nfs/dbraw/zinc/03/22/03/526032203.db2.gz	VFLYRAINMZETDD-UHFFFAOYSA-N	1	0	365.499	1.930	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)CC1	ZINC000156012387	526033152	/nfs/dbraw/zinc/03/31/52/526033152.db2.gz	KXYCZPKXTTUHAL-HKUYNNGSSA-N	1	0	357.429	1.559	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc(-n2ccnn2)cc1	ZINC000182052866	526036417	/nfs/dbraw/zinc/03/64/17/526036417.db2.gz	QDKPECZKHXMTKO-OAHLLOKOSA-N	1	0	351.414	1.574	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2ccnc(OCC(F)(F)F)c2)CC1	ZINC000108932929	526046282	/nfs/dbraw/zinc/04/62/82/526046282.db2.gz	SRHHNQMTXVURRS-UHFFFAOYSA-N	1	0	355.360	1.984	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(C(=O)NC)ccc2C)CC1	ZINC000171621256	526053619	/nfs/dbraw/zinc/05/36/19/526053619.db2.gz	HWUYCJNZMWSTTI-UHFFFAOYSA-N	1	0	372.469	1.450	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CCc2nc(-c3ccco3)no2)c1C#N	ZINC000133484245	526064048	/nfs/dbraw/zinc/06/40/48/526064048.db2.gz	MCUSJLRFGWPWQX-UHFFFAOYSA-N	1	0	369.385	1.648	20	30		FDEDRO
CN1CC[N@H+](CCCNC(=O)C2(C#N)CCOCC2)[C@H](c2ccccc2)C1	ZINC000109139620	526079897	/nfs/dbraw/zinc/07/98/97/526079897.db2.gz	KGAZFYRWUVMJPA-IBGZPJMESA-N	1	0	370.497	1.802	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)CC1	ZINC000171737825	526103090	/nfs/dbraw/zinc/10/30/90/526103090.db2.gz	YMEMPPDZBJQLCJ-UHFFFAOYSA-N	1	0	372.469	1.510	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CNC(=O)N2CCc3ccccc3C2)CC1	ZINC000171871057	526161845	/nfs/dbraw/zinc/16/18/45/526161845.db2.gz	AKPNFZBJPBLOCM-UHFFFAOYSA-N	1	0	356.470	1.521	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)CC1	ZINC000171944063	526189394	/nfs/dbraw/zinc/18/93/94/526189394.db2.gz	QAYVNBHWTANMMO-MRXNPFEDSA-N	1	0	360.433	1.881	20	30		FDEDRO
CO[C@H]1CCC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000182748843	535857099	/nfs/dbraw/zinc/85/70/99/535857099.db2.gz	MIHLRFMSCMDHEF-OALUTQOASA-N	1	0	374.460	1.645	20	30		FDEDRO
CC[C@H](O)C[NH+]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000182814011	535867741	/nfs/dbraw/zinc/86/77/41/535867741.db2.gz	VZZNRGAIWFFQOL-RBUKOAKNSA-N	1	0	356.470	1.442	20	30		FDEDRO
CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)Nc1c(C#N)c(=O)n(C)c(=O)n1C	ZINC000184360583	536139794	/nfs/dbraw/zinc/13/97/94/536139794.db2.gz	SQHLCYBLGICBEA-QGZVFWFLSA-N	1	0	369.469	1.524	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@H]1CCCN(c2ncccn2)C1)=[NH+]C1CCCC1	ZINC000185509368	536210597	/nfs/dbraw/zinc/21/05/97/536210597.db2.gz	JCIZCGRFSMZHKA-INIZCTEOSA-N	1	0	373.505	1.011	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1ncc(-c2ccccc2)cn1	ZINC000185592889	536213185	/nfs/dbraw/zinc/21/31/85/536213185.db2.gz	BANRXCDQAIZPBI-UHFFFAOYSA-N	1	0	354.458	1.270	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([NH+]3CCC(Cn4cncn4)CC3)C2=O)cc1	ZINC000186268263	536230618	/nfs/dbraw/zinc/23/06/18/536230618.db2.gz	SOIHPCIIQGKWRW-SFHVURJKSA-N	1	0	350.426	1.667	20	30		FDEDRO
Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(CCC#N)CC1CC1	ZINC000186619770	536238689	/nfs/dbraw/zinc/23/86/89/536238689.db2.gz	XMFAQOQTQYRRPX-UHFFFAOYSA-N	1	0	353.492	1.376	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCCC2)n1	ZINC000186650410	536240029	/nfs/dbraw/zinc/24/00/29/536240029.db2.gz	XBADFXKJHSMSRG-AWEZNQCLSA-N	1	0	360.462	1.655	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)ccc1F	ZINC000186694365	536241558	/nfs/dbraw/zinc/24/15/58/536241558.db2.gz	JHHJLLGDUCLUJX-FZMZJTMJSA-N	1	0	355.435	1.018	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCC[C@@](C)(O)c2ccccc2)CC1	ZINC000186891522	536247742	/nfs/dbraw/zinc/24/77/42/536247742.db2.gz	OWMNWKJSTDMBJM-LJQANCHMSA-N	1	0	362.474	1.809	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cc(C(N)=O)co1	ZINC000187992690	536279818	/nfs/dbraw/zinc/27/98/18/536279818.db2.gz	LSJNLZDPFFQAOM-UHFFFAOYSA-N	1	0	369.425	1.524	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1	ZINC000188106371	536283021	/nfs/dbraw/zinc/28/30/21/536283021.db2.gz	XBAZLLKRAXGGKA-KRWDZBQOSA-N	1	0	356.470	1.942	20	30		FDEDRO
[NH2+]=C(NCCNC(=O)c1ccc(O)cc1)N[C@H]1CCOc2ccccc21	ZINC000262846616	536918031	/nfs/dbraw/zinc/91/80/31/536918031.db2.gz	VWNKIWAULZOFJF-INIZCTEOSA-N	1	0	354.410	1.550	20	30		FDEDRO
CC(C)[NH+](CCCNC(=O)NCCNC(=O)C1N=CC=CC1=O)C(C)C	ZINC000266866588	536938677	/nfs/dbraw/zinc/93/86/77/536938677.db2.gz	RBDJFHDJBINSGZ-MSUUIHNZSA-N	1	0	365.478	1.321	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)NCC[N@H+]3CCC[C@@H](C)C3)CC2)o1	ZINC000189108469	536998672	/nfs/dbraw/zinc/99/86/72/536998672.db2.gz	WGNPJSYTQPNCHY-CQSZACIVSA-N	1	0	359.474	1.919	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)c3cccc(F)c3C#N)cn2)CC1	ZINC000189119970	537000525	/nfs/dbraw/zinc/00/05/25/537000525.db2.gz	ZHETVNLPJZBRJW-UHFFFAOYSA-N	1	0	353.401	1.774	20	30		FDEDRO
N#Cc1ccccc1N1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000246784020	537025683	/nfs/dbraw/zinc/02/56/83/537025683.db2.gz	SURUTMUBWUCXIO-QGZVFWFLSA-N	1	0	370.413	1.236	20	30		FDEDRO
CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000246834047	537036145	/nfs/dbraw/zinc/03/61/45/537036145.db2.gz	DWDCBAVSXBDCNT-HUUCEWRRSA-N	1	0	359.478	1.299	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc2c(cn1)nc[nH]c2=O)C(C)C	ZINC000189488877	537054975	/nfs/dbraw/zinc/05/49/75/537054975.db2.gz	DZVQAXJWRAVGAH-QGZVFWFLSA-N	1	0	355.442	1.747	20	30		FDEDRO
COc1cc(C)c(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc1F	ZINC000189997883	537125215	/nfs/dbraw/zinc/12/52/15/537125215.db2.gz	WMCBNKNQYYYCEC-UHFFFAOYSA-N	1	0	364.421	1.775	20	30		FDEDRO
CC(=O)Nc1cccc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)c1	ZINC000264098805	537136972	/nfs/dbraw/zinc/13/69/72/537136972.db2.gz	MKLOMPIQNPNIEB-UHFFFAOYSA-N	1	0	353.430	1.072	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)NCCNC(=O)C2N=CC=CC2=O)CCCCC1	ZINC000264714105	537147593	/nfs/dbraw/zinc/14/75/93/537147593.db2.gz	FFEXVGCZJGLJBN-NXVVXOECSA-N	1	0	363.462	1.077	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)NC[C@@H](c1ccco1)[NH+]1CCCC1	ZINC000265419559	537152962	/nfs/dbraw/zinc/15/29/62/537152962.db2.gz	IKLCLBLGYCRZER-JGWKNBOWSA-N	1	0	372.425	1.449	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@]2(O)C[C@H](OCC)C2(C)C)CC1	ZINC000190559397	537178481	/nfs/dbraw/zinc/17/84/81/537178481.db2.gz	PFTGYLRUBKNAIA-QFBILLFUSA-N	1	0	353.507	1.892	20	30		FDEDRO
CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1nn(C(C)C)cc1C#N	ZINC000190655695	537181734	/nfs/dbraw/zinc/18/17/34/537181734.db2.gz	RKMPTIZHHXDAIC-UHFFFAOYSA-N	1	0	362.478	1.855	20	30		FDEDRO
Cc1cc(C)c2ncc(C#N)c(N3CCN(C(=O)C[NH+](C)C)CC3)c2c1	ZINC000266125416	537189034	/nfs/dbraw/zinc/18/90/34/537189034.db2.gz	XQCCTBHZBDNMJP-UHFFFAOYSA-N	1	0	351.454	1.934	20	30		FDEDRO
COc1ccc(C[NH2+]CCS(=O)(=O)N2CCSCC2)cc1C#N	ZINC000266184482	537190894	/nfs/dbraw/zinc/19/08/94/537190894.db2.gz	GWLNHGHCZUNKSB-UHFFFAOYSA-N	1	0	355.485	1.035	20	30		FDEDRO
C[C@H](CO)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@H](C)O	ZINC000248980383	537223372	/nfs/dbraw/zinc/22/33/72/537223372.db2.gz	VGCQCWWFYDOPSZ-NEPJUHHUSA-N	1	0	351.472	1.501	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)N1C[C@H](C)OC[C@@H]1C)C(C)C	ZINC000249068084	537226663	/nfs/dbraw/zinc/22/66/63/537226663.db2.gz	JTDNUYYXBYNBLM-YESZJQIVSA-N	1	0	359.536	1.629	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C)C(C)C	ZINC000249068080	537226775	/nfs/dbraw/zinc/22/67/75/537226775.db2.gz	JTDNUYYXBYNBLM-GVDBMIGSSA-N	1	0	359.536	1.629	20	30		FDEDRO
N#C[C@@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000192763935	537232649	/nfs/dbraw/zinc/23/26/49/537232649.db2.gz	RNENDVIRQHTAKM-OLZOCXBDSA-N	1	0	352.416	1.545	20	30		FDEDRO
CN(C)[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)c1ccsc1	ZINC000261989501	537253682	/nfs/dbraw/zinc/25/36/82/537253682.db2.gz	LHTDKLNWIHAGLG-HNNXBMFYSA-N	1	0	359.503	1.278	20	30		FDEDRO
CN(C(=O)CN1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CO)C1(C#N)CCCCC1	ZINC000363639226	537266566	/nfs/dbraw/zinc/26/65/66/537266566.db2.gz	WVJZVYCAHLKAHR-QZTJIDSGSA-N	1	0	362.518	1.592	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)N1CCNC(=O)C1)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000363702860	537287838	/nfs/dbraw/zinc/28/78/38/537287838.db2.gz	FARHXEQOTAWBRO-HNNXBMFYSA-N	1	0	362.433	1.834	20	30		FDEDRO
CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C[C@@H]1N1CCOCC1	ZINC000332976579	537332184	/nfs/dbraw/zinc/33/21/84/537332184.db2.gz	LBKSWVKARBEION-KSZLIROESA-N	1	0	362.518	1.760	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(N2CCOCC2)cn1	ZINC000194869903	537343883	/nfs/dbraw/zinc/34/38/83/537343883.db2.gz	GHILDYCYXMIAIM-UHFFFAOYSA-N	1	0	360.462	1.617	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1	ZINC000194916676	537348289	/nfs/dbraw/zinc/34/82/89/537348289.db2.gz	YTAAYRSJUBBSPO-KFWWJZLASA-N	1	0	372.494	1.897	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1	ZINC000283069738	537349170	/nfs/dbraw/zinc/34/91/70/537349170.db2.gz	USYJQFYOJQGLNQ-AEFFLSMTSA-N	1	0	364.515	1.619	20	30		FDEDRO
CCC[NH+]1CCC(CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1	ZINC000194943492	537353354	/nfs/dbraw/zinc/35/33/54/537353354.db2.gz	JLAZGUJVENGKNM-UHFFFAOYSA-N	1	0	370.501	1.907	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H](c1cccs1)[NH+]1CCCC1	ZINC000283115920	537355145	/nfs/dbraw/zinc/35/51/45/537355145.db2.gz	YMBHPJHJSPPCIV-UONOGXRCSA-N	1	0	356.517	1.953	20	30		FDEDRO
CCc1nnc(CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)s1	ZINC000290498458	537362394	/nfs/dbraw/zinc/36/23/94/537362394.db2.gz	HLTSYFQQVFCYBK-LLVKDONJSA-N	1	0	366.491	1.481	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)c3ccccc3OCC#N)CC2)CC1	ZINC000195203539	537369468	/nfs/dbraw/zinc/36/94/68/537369468.db2.gz	HMUMQMNZIWMAGG-UHFFFAOYSA-N	1	0	356.470	1.877	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(CC2([NH+]3CCSCC3)CCCC2)C1=O	ZINC000348441666	537386284	/nfs/dbraw/zinc/38/62/84/537386284.db2.gz	LUIMYJHUVIDULG-CQSZACIVSA-N	1	0	353.488	1.471	20	30		FDEDRO
CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)cc1	ZINC000283922691	537391967	/nfs/dbraw/zinc/39/19/67/537391967.db2.gz	AQWYWYLBCSFVHV-UONOGXRCSA-N	1	0	351.472	1.891	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1	ZINC000283988573	537400117	/nfs/dbraw/zinc/40/01/17/537400117.db2.gz	HVUPJQFHQDZCBJ-LJQANCHMSA-N	1	0	361.511	1.755	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NCc1cccc(C[NH+](C)C)c1	ZINC000284221827	537401332	/nfs/dbraw/zinc/40/13/32/537401332.db2.gz	UBYRZUMCNCRYPN-UHFFFAOYSA-N	1	0	364.449	1.895	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1	ZINC000273145279	537401651	/nfs/dbraw/zinc/40/16/51/537401651.db2.gz	PPPOXTCIWWXLGN-CYBMUJFWSA-N	1	0	374.441	1.121	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCc2ccc(F)c(F)c2)CC1	ZINC000286092845	537417134	/nfs/dbraw/zinc/41/71/34/537417134.db2.gz	FIWKCKGOQHMDLS-UHFFFAOYSA-N	1	0	365.424	1.780	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cnc(-c2ccccc2)nc1	ZINC000293354957	537428364	/nfs/dbraw/zinc/42/83/64/537428364.db2.gz	LCFOIHWZEYMZAU-UHFFFAOYSA-N	1	0	351.410	1.153	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C)cc1Br	ZINC000293402449	537443178	/nfs/dbraw/zinc/44/31/78/537443178.db2.gz	ONNWUQFGMMMJEO-UHFFFAOYSA-N	1	0	366.259	1.767	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000299128022	537449696	/nfs/dbraw/zinc/44/96/96/537449696.db2.gz	YNYWRDJQNYXCLL-MSOLQXFVSA-N	1	0	366.469	1.893	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)CC1	ZINC000288207932	537464946	/nfs/dbraw/zinc/46/49/46/537464946.db2.gz	HHUKLHDLNRRAJV-UHFFFAOYSA-N	1	0	367.446	1.360	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)C(=O)Nc1ccc(C#N)cc1	ZINC000365339293	537487960	/nfs/dbraw/zinc/48/79/60/537487960.db2.gz	KSHPAWUVHSXEGS-JLSDUUJJSA-N	1	0	370.453	1.502	20	30		FDEDRO
CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000290978264	537497865	/nfs/dbraw/zinc/49/78/65/537497865.db2.gz	PTEOIKPVHAUCRS-INIZCTEOSA-N	1	0	358.490	1.905	20	30		FDEDRO
C[NH+](C)CCCOc1cnccc1CNC(=O)COc1ccccc1C#N	ZINC000288646983	537529798	/nfs/dbraw/zinc/52/97/98/537529798.db2.gz	DOMYWAPHGUJMIU-UHFFFAOYSA-N	1	0	368.437	1.979	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C	ZINC000288648667	537530753	/nfs/dbraw/zinc/53/07/53/537530753.db2.gz	QGONXGDUQMNTOH-VYDXJSESSA-N	1	0	350.488	1.575	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]([NH3+])CCC(=O)OC)cc1	ZINC000288723609	537540338	/nfs/dbraw/zinc/54/03/38/537540338.db2.gz	KRRMBPQTILLBFK-INIZCTEOSA-N	1	0	359.426	1.720	20	30		FDEDRO
C=CCc1cc(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)cc(OC)c1O	ZINC000360017941	537575501	/nfs/dbraw/zinc/57/55/01/537575501.db2.gz	FLQOMYWNYXNKDF-QRWLVFNGSA-N	1	0	373.453	1.939	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCC[C@H]2CCC[NH2+]C2)c1	ZINC000236671057	537594302	/nfs/dbraw/zinc/59/43/02/537594302.db2.gz	DTZAZGKJJLHUCI-CQSZACIVSA-N	1	0	351.472	1.270	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@](C)(C[NH3+])CC(C)C)cc1	ZINC000236706250	537596961	/nfs/dbraw/zinc/59/69/61/537596961.db2.gz	QYGIGOJSIZQGPJ-QGZVFWFLSA-N	1	0	353.488	1.644	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@H]3COc4ccccc4O3)C2)CC1	ZINC000329175997	537635463	/nfs/dbraw/zinc/63/54/63/537635463.db2.gz	MQOJQBFCSUEOBU-SJORKVTESA-N	1	0	374.485	1.452	20	30		FDEDRO
C[C@H](CO[C@@H]1CCOC1)NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000329417542	537637069	/nfs/dbraw/zinc/63/70/69/537637069.db2.gz	GAJQTXWLTZQXPT-VDHUWJSZSA-N	1	0	369.506	1.452	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC([O-])=[NH+][C@@H]2CCc3c[nH]nc3C2)CC1	ZINC000329831426	537643482	/nfs/dbraw/zinc/64/34/82/537643482.db2.gz	FPJVKAGSSVRXKF-MRXNPFEDSA-N	1	0	369.473	1.118	20	30		FDEDRO
C[NH+](C)CCCOc1ccc(CNS(=O)(=O)c2cncc(C#N)c2)cc1	ZINC000289998776	537644692	/nfs/dbraw/zinc/64/46/92/537644692.db2.gz	YXQYIAZMALAOQJ-UHFFFAOYSA-N	1	0	374.466	1.762	20	30		FDEDRO
C[C@]1(O)CCCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1	ZINC000329917145	537645819	/nfs/dbraw/zinc/64/58/19/537645819.db2.gz	QQFOPYYQAOXTDZ-LMMKCTJWSA-N	1	0	353.507	1.905	20	30		FDEDRO
CN1CCO[C@H]2CN(C(=O)Nc3cccc(C(=O)N4CCCCC4)c3)C[C@H]21	ZINC000329923227	537646609	/nfs/dbraw/zinc/64/66/09/537646609.db2.gz	IHXPGNMDVRESCA-MSOLQXFVSA-N	1	0	372.469	1.873	20	30		FDEDRO
C[C@]1(C(N)=O)CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1	ZINC000329958200	537647336	/nfs/dbraw/zinc/64/73/36/537647336.db2.gz	MMACDDRQMSOLFI-RKVPGOIHSA-N	1	0	352.479	1.916	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)NCc2cccc(N3CCOCC3)n2)CC1	ZINC000330001553	537648851	/nfs/dbraw/zinc/64/88/51/537648851.db2.gz	AIUHIQKYQTUMEH-UHFFFAOYSA-N	1	0	361.490	1.796	20	30		FDEDRO
O=C(NCCN1CCOCC1)N1CCC(c2nnc3n2CCCC3)CC1	ZINC000330008094	537649819	/nfs/dbraw/zinc/64/98/19/537649819.db2.gz	FCYDRCBKIWFBAM-UHFFFAOYSA-N	1	0	362.478	1.040	20	30		FDEDRO
Cn1ccnc1[C@H](NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)C1CCOCC1	ZINC000330226293	537652348	/nfs/dbraw/zinc/65/23/48/537652348.db2.gz	UKFXIWSEONJFSK-APWZRJJASA-N	1	0	361.490	1.829	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1	ZINC000330421428	537656793	/nfs/dbraw/zinc/65/67/93/537656793.db2.gz	RPRBOGYPWKEHTN-INMHGKMJSA-N	1	0	350.488	1.890	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@@](C)(O)CN1c2ccccc2C(C)(C)C1=O	ZINC000294100658	537657733	/nfs/dbraw/zinc/65/77/33/537657733.db2.gz	YGSXZBWTURICLW-NRFANRHFSA-N	1	0	371.481	1.133	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1sc(S(N)(=O)=O)c(C)c1Cl	ZINC000294107766	537658445	/nfs/dbraw/zinc/65/84/45/537658445.db2.gz	YVBKSHXEXLVESN-UHFFFAOYSA-N	1	0	363.892	1.042	20	30		FDEDRO
CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCS(=O)(=O)N(CC)CC	ZINC000330939005	537662567	/nfs/dbraw/zinc/66/25/67/537662567.db2.gz	VZFAWCZXDXXMDZ-CABCVRRESA-N	1	0	360.524	1.131	20	30		FDEDRO
CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000290129676	537675884	/nfs/dbraw/zinc/67/58/84/537675884.db2.gz	ZKIXPDBMWTYPAY-CVEARBPZSA-N	1	0	351.472	1.910	20	30		FDEDRO
N#Cc1c(C[NH+]2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)cn2ccccc12	ZINC000285409686	537704818	/nfs/dbraw/zinc/70/48/18/537704818.db2.gz	GPSIKALJLJRPAS-QFBILLFUSA-N	1	0	352.438	1.913	20	30		FDEDRO
C=CCc1cc(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)cc(OC)c1O	ZINC000285426982	537709882	/nfs/dbraw/zinc/70/98/82/537709882.db2.gz	HADLVIMOFHVRFZ-UHFFFAOYSA-N	1	0	359.426	1.740	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1	ZINC000292583004	537746701	/nfs/dbraw/zinc/74/67/01/537746701.db2.gz	SANAXJHRXRAEHA-GOSISDBHSA-N	1	0	358.486	1.890	20	30		FDEDRO
C[C@H](C[NH3+])C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1	ZINC000285720495	537750145	/nfs/dbraw/zinc/75/01/45/537750145.db2.gz	UFAFDXLAZVNFER-SFKFPXOQSA-N	1	0	366.487	1.813	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)NCCSCc2ccccc2C#N)[C@H](C)C[NH2+]1	ZINC000418925359	537850127	/nfs/dbraw/zinc/85/01/27/537850127.db2.gz	PZHQYXSRNWMTPJ-ZIAGYGMSSA-N	1	0	360.483	1.116	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C	ZINC000409552872	537860622	/nfs/dbraw/zinc/86/06/22/537860622.db2.gz	LLCLMKXTCFPGOW-RHSMWYFYSA-N	1	0	368.503	1.614	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1	ZINC000409570879	537861699	/nfs/dbraw/zinc/86/16/99/537861699.db2.gz	RXBDXYPEEGWRTD-OAHLLOKOSA-N	1	0	360.524	1.193	20	30		FDEDRO
C[NH+]1CCC(NC(=O)N2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)CC1	ZINC000372219985	537900396	/nfs/dbraw/zinc/90/03/96/537900396.db2.gz	WOEUSFGBYONHDA-BFUOFWGJSA-N	1	0	353.426	1.136	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1	ZINC000414873606	537928542	/nfs/dbraw/zinc/92/85/42/537928542.db2.gz	YEJXPRCWIFQNML-UHFFFAOYSA-N	1	0	374.485	1.334	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)cc1	ZINC000412004016	537933902	/nfs/dbraw/zinc/93/39/02/537933902.db2.gz	RNPXTBGBSMNWCV-UHFFFAOYSA-N	1	0	353.466	1.951	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3CCC4(CCC4)CC3)CC2)o1	ZINC000367583960	537962492	/nfs/dbraw/zinc/96/24/92/537962492.db2.gz	GQEWWRWMEDSNOB-UHFFFAOYSA-N	1	0	357.458	1.769	20	30		FDEDRO
C[C@@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)C(=O)NCC[NH+]1CCCCC1	ZINC000412321673	537966896	/nfs/dbraw/zinc/96/68/96/537966896.db2.gz	NYGGVZXFBZUABR-MRXNPFEDSA-N	1	0	368.481	1.697	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)CC1	ZINC000368525137	537983116	/nfs/dbraw/zinc/98/31/16/537983116.db2.gz	BBCVYUFDMUKEHX-QRWLVFNGSA-N	1	0	374.485	1.091	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)ccc1OC(F)(F)F	ZINC000415301952	537994026	/nfs/dbraw/zinc/99/40/26/537994026.db2.gz	MHWJCGCUQSUJCZ-LLVKDONJSA-N	1	0	356.304	1.264	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1C#N	ZINC000415305760	537997828	/nfs/dbraw/zinc/99/78/28/537997828.db2.gz	JNJUHGREXOTVLG-QGZVFWFLSA-N	1	0	357.458	1.857	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C	ZINC000369123315	538000906	/nfs/dbraw/zinc/00/09/06/538000906.db2.gz	ZUTTUJDYZQGUAO-DLBZAZTESA-N	1	0	364.515	1.919	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)c1C	ZINC000377732457	538009599	/nfs/dbraw/zinc/00/95/99/538009599.db2.gz	LPAYFACAUWQOSI-IAGOWNOFSA-N	1	0	354.454	1.618	20	30		FDEDRO
CCn1cc(C#N)c(=O)n(Cc2cccc(C[NH+]3CCCCC3)c2)c1=O	ZINC000412984504	538042237	/nfs/dbraw/zinc/04/22/37/538042237.db2.gz	CFORTVMBEUMVGD-UHFFFAOYSA-N	1	0	352.438	1.936	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@H]4CC[N@@H+](C)[C@@H]4C3)CC2)o1	ZINC000372979772	538072741	/nfs/dbraw/zinc/07/27/41/538072741.db2.gz	MNSZCJAUOGRGQQ-RHSMWYFYSA-N	1	0	357.458	1.624	20	30		FDEDRO
N#Cc1cc(F)ccc1S(=O)(=O)N[C@H]1CCCC[C@H]1N1CCOCC1	ZINC000378229990	538078680	/nfs/dbraw/zinc/07/86/80/538078680.db2.gz	MSCPRPZVUHHRPF-JKSUJKDBSA-N	1	0	367.446	1.619	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1C#N	ZINC000415874322	538092072	/nfs/dbraw/zinc/09/20/72/538092072.db2.gz	APADUWYRKWJLOO-FUHWJXTLSA-N	1	0	370.453	1.550	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)NCC(=O)NCC[NH+]1CCCCCC1	ZINC000432434514	538147567	/nfs/dbraw/zinc/14/75/67/538147567.db2.gz	ZAKPNCIOBXSNBD-UHFFFAOYSA-N	1	0	371.485	1.692	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)C2CC2)cc1	ZINC000419929326	538150325	/nfs/dbraw/zinc/15/03/25/538150325.db2.gz	MGMLJYHQJZUMGK-LJQANCHMSA-N	1	0	362.433	1.865	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)cc1	ZINC000439340846	538167456	/nfs/dbraw/zinc/16/74/56/538167456.db2.gz	CYDAWJUYVAFGNA-AWEZNQCLSA-N	1	0	358.442	1.094	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C[NH3+])C2CCCC2)cc1	ZINC000423945544	538196539	/nfs/dbraw/zinc/19/65/39/538196539.db2.gz	UCJACUWGJQBZNS-MRXNPFEDSA-N	1	0	351.472	1.398	20	30		FDEDRO
C=CCN(C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)C1CC1	ZINC000420100983	538219730	/nfs/dbraw/zinc/21/97/30/538219730.db2.gz	NMCLQDHORBDYDO-WMLDXEAASA-N	1	0	363.408	1.704	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)cc2C1=O	ZINC000424053632	538224707	/nfs/dbraw/zinc/22/47/07/538224707.db2.gz	OYSKZXNHRRXGKF-YDHLFZDLSA-N	1	0	355.438	1.914	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)cc2C1=O	ZINC000424053625	538224840	/nfs/dbraw/zinc/22/48/40/538224840.db2.gz	OYSKZXNHRRXGKF-GUTXKFCHSA-N	1	0	355.438	1.914	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1	ZINC000424115556	538238276	/nfs/dbraw/zinc/23/82/76/538238276.db2.gz	VNKFWQABCAJEPA-OAHLLOKOSA-N	1	0	366.824	1.785	20	30		FDEDRO
COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC#N	ZINC000424124062	538241509	/nfs/dbraw/zinc/24/15/09/538241509.db2.gz	LRRGMGUYYRMIRO-GOEBONIOSA-N	1	0	358.442	1.954	20	30		FDEDRO
CC#CCCNC(=O)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1	ZINC000440705217	538269732	/nfs/dbraw/zinc/26/97/32/538269732.db2.gz	NXVNRRUEWWEDBQ-UHFFFAOYSA-N	1	0	358.442	1.353	20	30		FDEDRO
CC(C)(CC#N)CNC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1	ZINC000422493245	538283644	/nfs/dbraw/zinc/28/36/44/538283644.db2.gz	XXGDEYDKLSVDJG-UHFFFAOYSA-N	1	0	356.470	1.777	20	30		FDEDRO
CN(C1CC[NH2+]CC1)S(=O)(=O)c1cccc(Br)c1C#N	ZINC000420401039	538286789	/nfs/dbraw/zinc/28/67/89/538286789.db2.gz	GBUUSAZUNLLCGC-UHFFFAOYSA-N	1	0	358.261	1.693	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1	ZINC000451634921	538288178	/nfs/dbraw/zinc/28/81/78/538288178.db2.gz	SJUZFIZJGWXAKG-SOLBZPMBSA-N	1	0	356.470	1.966	20	30		FDEDRO
C=CCN(C(=O)C[NH2+]C[C@H]1CCCO1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000430528445	538390618	/nfs/dbraw/zinc/39/06/18/538390618.db2.gz	YDCJSAJXKPEKDK-MAUKXSAKSA-N	1	0	370.457	1.507	20	30		FDEDRO
C=CC[C@@H]1N(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)CCCC1(C)C	ZINC000423578477	538401418	/nfs/dbraw/zinc/40/14/18/538401418.db2.gz	LEGBZILRMFLFKF-KRWDZBQOSA-N	1	0	365.518	1.936	20	30		FDEDRO
C=CCC[C@H](CO)NC(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1	ZINC000457670937	538506887	/nfs/dbraw/zinc/50/68/87/538506887.db2.gz	NJGORECIQPNAFF-QGZVFWFLSA-N	1	0	361.490	1.350	20	30		FDEDRO
C=CC[C@@H](CC)NC(=O)N1CCN([C@H](C)C(=O)NCCCOC)CC1	ZINC000466406397	538538657	/nfs/dbraw/zinc/53/86/57/538538657.db2.gz	LLZXRIOIWVKCJM-HZPDHXFCSA-N	1	0	354.495	1.210	20	30		FDEDRO
C[NH+](C)[C@@]1(CNS(=O)(=O)Cc2cc(C#N)ccc2F)CCSC1	ZINC000500937917	538581426	/nfs/dbraw/zinc/58/14/26/538581426.db2.gz	HOGLOXCSICJUIF-OAHLLOKOSA-N	1	0	357.476	1.554	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1	ZINC000487088133	538602414	/nfs/dbraw/zinc/60/24/14/538602414.db2.gz	TVUFFOXIWRKSNU-CVEARBPZSA-N	1	0	365.499	1.754	20	30		FDEDRO
CNC(=O)CCOC1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1	ZINC000494947679	538612137	/nfs/dbraw/zinc/61/21/37/538612137.db2.gz	ASOMBDQOCBJHTE-UHFFFAOYSA-N	1	0	364.471	1.565	20	30		FDEDRO
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1	ZINC000501110005	538624790	/nfs/dbraw/zinc/62/47/90/538624790.db2.gz	RXWJWDSNHUPNFX-HLIPFELVSA-N	1	0	361.534	1.285	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)c1	ZINC000501176350	538632207	/nfs/dbraw/zinc/63/22/07/538632207.db2.gz	OITPANNGIBJVPS-UHFFFAOYSA-N	1	0	365.499	1.565	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1	ZINC000467283039	538638818	/nfs/dbraw/zinc/63/88/18/538638818.db2.gz	STAGXRRNGVZQHY-INIZCTEOSA-N	1	0	366.469	1.500	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccncc1OCCC[NH+](C)C	ZINC000454972561	538655769	/nfs/dbraw/zinc/65/57/69/538655769.db2.gz	JUYYLWRECYTKCM-SJORKVTESA-N	1	0	362.474	1.945	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000487781132	538680408	/nfs/dbraw/zinc/68/04/08/538680408.db2.gz	JGUKUDSASOUXFZ-CVEARBPZSA-N	1	0	351.491	1.465	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1	ZINC000483213557	538689961	/nfs/dbraw/zinc/68/99/61/538689961.db2.gz	MOHOHSOLEWERCT-GOSISDBHSA-N	1	0	351.410	1.310	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2OC(F)F)CC1	ZINC000502522326	538744990	/nfs/dbraw/zinc/74/49/90/538744990.db2.gz	MNJIOTGHWTYOET-OWCLPIDISA-N	1	0	372.460	1.819	20	30		FDEDRO
CCS[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000503454754	538804373	/nfs/dbraw/zinc/80/43/73/538804373.db2.gz	RTTIUHIVEVVCAL-YESZJQIVSA-N	1	0	352.548	1.943	20	30		FDEDRO
CC(C)CN1CCO[C@H](C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000560932686	545633895	/nfs/dbraw/zinc/63/38/95/545633895.db2.gz	LLPLMYPOXIXDPY-AZUAARDMSA-N	1	0	361.486	1.439	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC2CC[NH2+]CC2)cc1	ZINC000560943852	545634987	/nfs/dbraw/zinc/63/49/87/545634987.db2.gz	YADUROTVDUBNOB-UHFFFAOYSA-N	1	0	366.487	1.614	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)NCC3([NH3+])CCCCC3)C2=O)cc1	ZINC000561201982	545741671	/nfs/dbraw/zinc/74/16/71/545741671.db2.gz	KCFWCSNDLQFUSQ-KRWDZBQOSA-N	1	0	369.469	1.620	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](NC(=O)NCC3([NH3+])CCCCC3)C2=O)cc1	ZINC000561201983	545741713	/nfs/dbraw/zinc/74/17/13/545741713.db2.gz	KCFWCSNDLQFUSQ-QGZVFWFLSA-N	1	0	369.469	1.620	20	30		FDEDRO
CC(C)C[C@H](NC(=O)Cc1c(F)cccc1C#N)C(=O)NCC[NH+](C)C	ZINC000561320159	545801564	/nfs/dbraw/zinc/80/15/64/545801564.db2.gz	CKLLKUXXVVWYAK-KRWDZBQOSA-N	1	0	362.449	1.449	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2csc(CC)n2)CC1	ZINC000561414197	545838059	/nfs/dbraw/zinc/83/80/59/545838059.db2.gz	QZTJKADUIRIGBD-UHFFFAOYSA-N	1	0	350.488	1.478	20	30		FDEDRO
CC[C@H](C)[N@H+](CCO)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000561925435	545984298	/nfs/dbraw/zinc/98/42/98/545984298.db2.gz	MYCNEZWFTNPCJE-JKSUJKDBSA-N	1	0	364.515	1.550	20	30		FDEDRO
CC[C@@H](C)[N@H+](CCO)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000561925432	545984387	/nfs/dbraw/zinc/98/43/87/545984387.db2.gz	MYCNEZWFTNPCJE-HZPDHXFCSA-N	1	0	364.515	1.550	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC1	ZINC000562079479	546028031	/nfs/dbraw/zinc/02/80/31/546028031.db2.gz	KZDXLOXNSIMWNW-HXUWFJFHSA-N	1	0	367.534	1.787	20	30		FDEDRO
N#Cc1ccc(N2CCC(C(=O)NCCNc3cc[nH+]cc3)CC2)c(F)c1	ZINC000562287556	546078522	/nfs/dbraw/zinc/07/85/22/546078522.db2.gz	HIYJXCCZAXFHLR-UHFFFAOYSA-N	1	0	367.428	1.959	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCC2([NH+]3CCCC3)CCOCC2)s1	ZINC000562462204	546147741	/nfs/dbraw/zinc/14/77/41/546147741.db2.gz	BPUUWRBTIZWIHP-UHFFFAOYSA-N	1	0	355.485	1.543	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)CC1	ZINC000562544947	546173795	/nfs/dbraw/zinc/17/37/95/546173795.db2.gz	GYMCORKQZPTQOA-AKHDSKFASA-N	1	0	362.518	1.304	20	30		FDEDRO
CC1(C)COC[C@@H]1[NH2+]CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000562738077	546249673	/nfs/dbraw/zinc/24/96/73/546249673.db2.gz	OCUXWTNHRZXFDH-ROUUACIJSA-N	1	0	374.460	1.549	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1	ZINC000562873700	546302025	/nfs/dbraw/zinc/30/20/25/546302025.db2.gz	OBXICVUVIHOFSV-UHFFFAOYSA-N	1	0	363.502	1.727	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)cc1	ZINC000562957991	546328400	/nfs/dbraw/zinc/32/84/00/546328400.db2.gz	QDZDTPIZGXMDLZ-SFHVURJKSA-N	1	0	371.481	1.607	20	30		FDEDRO
Cn1nccc1[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCO1	ZINC000562998343	546348378	/nfs/dbraw/zinc/34/83/78/546348378.db2.gz	GDYYBICBZMMVAM-QAPCUYQASA-N	1	0	374.466	1.575	20	30		FDEDRO
Cc1nc(CN2CCC(C[NH2+]C[C@@H](O)CN(C)CCC#N)CC2)oc1C	ZINC000562999410	546348554	/nfs/dbraw/zinc/34/85/54/546348554.db2.gz	MYNCPICCRFACOL-GOSISDBHSA-N	1	0	363.506	1.299	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)Cn1c(=O)onc1-c1ccccc1	ZINC000563002811	546350143	/nfs/dbraw/zinc/35/01/43/546350143.db2.gz	LAVNETVWQJUEQD-BBWFWOEESA-N	1	0	359.426	1.435	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1	ZINC000563003601	546350838	/nfs/dbraw/zinc/35/08/38/546350838.db2.gz	VNXGPHXUQYCKLG-PMACEKPBSA-N	1	0	360.502	1.073	20	30		FDEDRO
N#Cc1ncn(CC[NH2+]C[C@H](O)COc2ccccc2C(F)(F)F)n1	ZINC000563011559	546353661	/nfs/dbraw/zinc/35/36/61/546353661.db2.gz	PFYTUMBOBFZLHF-NSHDSACASA-N	1	0	355.320	1.198	20	30		FDEDRO
CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H](O)CN(C)CCC#N)cc1	ZINC000563013000	546354668	/nfs/dbraw/zinc/35/46/68/546354668.db2.gz	YPCZLXSOHKHZGU-GDBMZVCRSA-N	1	0	353.488	1.337	20	30		FDEDRO
CC1CC[NH+](C[C@H](O)CNC[C@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000563140042	546421821	/nfs/dbraw/zinc/42/18/21/546421821.db2.gz	AZRQFNHUDKWOHH-MOPGFXCFSA-N	1	0	361.486	1.175	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H](CO)Cc2ccc(O)cc2)c1	ZINC000563143300	546423165	/nfs/dbraw/zinc/42/31/65/546423165.db2.gz	PYKKDRFYZHNHCT-INIZCTEOSA-N	1	0	360.435	1.231	20	30		FDEDRO
CN(CCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)c(N)n1	ZINC000563423193	546528597	/nfs/dbraw/zinc/52/85/97/546528597.db2.gz	DGVKONSNGKFZRT-UHFFFAOYSA-N	1	0	350.470	1.789	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)Nc2cccc3c2CC[NH2+]C3)CC1	ZINC000563503971	546561255	/nfs/dbraw/zinc/56/12/55/546561255.db2.gz	HVRAOWMXCDTWQD-UHFFFAOYSA-N	1	0	362.437	1.953	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@@]4(CC[NH2+]C4)C3)n2)c(F)c1	ZINC000563797056	546686821	/nfs/dbraw/zinc/68/68/21/546686821.db2.gz	PPHXCZHXZBFHJY-GOSISDBHSA-N	1	0	354.389	2.100	20	30		FDEDRO
COc1cc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)ccc1C#N	ZINC000563809948	546692809	/nfs/dbraw/zinc/69/28/09/546692809.db2.gz	DIPUHJAZQCAZJG-HNNXBMFYSA-N	1	0	358.419	1.891	20	30		FDEDRO
C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCC(C#N)CC2)C1	ZINC000563899494	546729390	/nfs/dbraw/zinc/72/93/90/546729390.db2.gz	YHJQGKZKAQOXBE-IBGZPJMESA-N	1	0	368.481	1.524	20	30		FDEDRO
Cn1c2ccccc2cc(C[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1=O	ZINC000564585443	546963276	/nfs/dbraw/zinc/96/32/76/546963276.db2.gz	OBWPROSWRKHOLN-UHFFFAOYSA-N	1	0	350.426	1.780	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1	ZINC000564856384	547070598	/nfs/dbraw/zinc/07/05/98/547070598.db2.gz	GSCULCJZRSSAKN-MPGHIAIKSA-N	1	0	362.474	1.876	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCCN(c3ccccc3)C2)nc1	ZINC000564857689	547071237	/nfs/dbraw/zinc/07/12/37/547071237.db2.gz	WWVLOQYNCXEIFM-QGZVFWFLSA-N	1	0	370.478	1.986	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)ncc1C#N	ZINC000565188563	547244170	/nfs/dbraw/zinc/24/41/70/547244170.db2.gz	CWNZGPBLPFGWTM-HNNXBMFYSA-N	1	0	355.442	1.391	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCO[C@H](C2CC2)C1)C(C)C	ZINC000565378230	547327174	/nfs/dbraw/zinc/32/71/74/547327174.db2.gz	QQIWFBBRAUIKSB-MSOLQXFVSA-N	1	0	363.502	1.439	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)CC1	ZINC000565398504	547332629	/nfs/dbraw/zinc/33/26/29/547332629.db2.gz	KKZCFXGSIQKAIU-QGZVFWFLSA-N	1	0	363.506	1.424	20	30		FDEDRO
CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)[C@@H]1n1cccn1	ZINC000566122153	547614700	/nfs/dbraw/zinc/61/47/00/547614700.db2.gz	YSIHLNIFOCQICN-MDNKFWRPSA-N	1	0	370.453	1.697	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCN(CC(F)(F)F)C2)cc1	ZINC000566792360	547886648	/nfs/dbraw/zinc/88/66/48/547886648.db2.gz	UXOWXZCXGUFLRT-ZDUSSCGKSA-N	1	0	361.389	1.558	20	30		FDEDRO
COC1([C@@H](C)[NH2+]CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCC1	ZINC000567089200	547990746	/nfs/dbraw/zinc/99/07/46/547990746.db2.gz	ONLGIEAHUVYLJH-CYBMUJFWSA-N	1	0	361.446	1.051	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1	ZINC000567501659	548143089	/nfs/dbraw/zinc/14/30/89/548143089.db2.gz	ASKGQYGFJFMTIX-CHWSQXEVSA-N	1	0	354.476	1.740	20	30		FDEDRO
C[C@@H]1OCC[C@]1(O)C[N@H+](CCC(=O)N(C)CCC#N)Cc1ccccc1	ZINC000567609033	548180211	/nfs/dbraw/zinc/18/02/11/548180211.db2.gz	AKWXOUCSIWGQOC-PXNSSMCTSA-N	1	0	359.470	1.791	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@H](CO)Cc2ccccc2)c1	ZINC000567877757	548303816	/nfs/dbraw/zinc/30/38/16/548303816.db2.gz	SZAKKOKMJYQKQE-GOSISDBHSA-N	1	0	358.463	1.773	20	30		FDEDRO
CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1	ZINC000567895842	548314051	/nfs/dbraw/zinc/31/40/51/548314051.db2.gz	ZQMVQZXADVDGBJ-AWEZNQCLSA-N	1	0	354.458	1.974	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](OCC3CC3)C2)CC1	ZINC000567936383	548330697	/nfs/dbraw/zinc/33/06/97/548330697.db2.gz	VDHYSKCZGAIVAF-SFHVURJKSA-N	1	0	363.502	1.561	20	30		FDEDRO
Cn1cc(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)c(-c2ccc(C#N)cc2)n1	ZINC000568038664	548373017	/nfs/dbraw/zinc/37/30/17/548373017.db2.gz	HZPWXXOQKDOJIY-MRXNPFEDSA-N	1	0	359.455	1.082	20	30		FDEDRO
COCC[NH2+]C1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1	ZINC000568073157	548388254	/nfs/dbraw/zinc/38/82/54/548388254.db2.gz	WJMUXHOPVZLQOW-UHFFFAOYSA-N	1	0	369.429	1.371	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000568241204	548455413	/nfs/dbraw/zinc/45/54/13/548455413.db2.gz	DPHKTXFMCSEDAH-KRWDZBQOSA-N	1	0	351.491	1.420	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)ncc1C#N	ZINC000568650240	548625342	/nfs/dbraw/zinc/62/53/42/548625342.db2.gz	NSLVQOMGJWRZBE-BFUOFWGJSA-N	1	0	357.458	1.827	20	30		FDEDRO
C[NH+](C)CCn1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)n1	ZINC000568878993	548717682	/nfs/dbraw/zinc/71/76/82/548717682.db2.gz	CQMHQGXCKMDAIB-UHFFFAOYSA-N	1	0	367.453	2.000	20	30		FDEDRO
C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000568954983	548742440	/nfs/dbraw/zinc/74/24/40/548742440.db2.gz	PNMKGLBUNQHTGZ-QGZVFWFLSA-N	1	0	370.501	1.905	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC[C@H]1CCC[N@H+](C)C1	ZINC000569205873	548832304	/nfs/dbraw/zinc/83/23/04/548832304.db2.gz	OVNVAOQZWPUQCO-JKSUJKDBSA-N	1	0	371.489	1.300	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1	ZINC000569642076	548992243	/nfs/dbraw/zinc/99/22/43/548992243.db2.gz	FLPZXJCYADYSEB-UHFFFAOYSA-N	1	0	356.470	1.755	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1	ZINC000570027039	549132543	/nfs/dbraw/zinc/13/25/43/549132543.db2.gz	MQQCVHBNIRUWPQ-QAPCUYQASA-N	1	0	371.441	1.335	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+][C@H](Cc3ccccc3)C(=O)N3CCCC3)cnc12	ZINC000570298894	549230744	/nfs/dbraw/zinc/23/07/44/549230744.db2.gz	BNTITBJQEBHHEX-LJQANCHMSA-N	1	0	374.448	1.924	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@H](OC)C[C@H]3C[NH3+])cc2C1=O	ZINC000570443697	549280956	/nfs/dbraw/zinc/28/09/56/549280956.db2.gz	QFVMTVMUSXMLMO-UONOGXRCSA-N	1	0	357.410	1.047	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1	ZINC000570446005	549281503	/nfs/dbraw/zinc/28/15/03/549281503.db2.gz	KEXDUXVVRROPTD-QGZVFWFLSA-N	1	0	364.877	1.884	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1	ZINC000570541969	549318204	/nfs/dbraw/zinc/31/82/04/549318204.db2.gz	JBJCXUDSWUPIDL-JKSUJKDBSA-N	1	0	351.491	1.322	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1Br	ZINC000570664320	549365532	/nfs/dbraw/zinc/36/55/32/549365532.db2.gz	CJSPPYKHWGYIFA-MFKMUULPSA-N	1	0	363.215	1.080	20	30		FDEDRO
C=CCCCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000570719610	549388354	/nfs/dbraw/zinc/38/83/54/549388354.db2.gz	WDUWRCGNCXAVHC-IAGOWNOFSA-N	1	0	351.491	1.343	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C	ZINC000570759495	549400110	/nfs/dbraw/zinc/40/01/10/549400110.db2.gz	QIAFQVWJJPPXLO-LPHOPBHVSA-N	1	0	355.482	1.843	20	30		FDEDRO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1	ZINC000570792559	549412309	/nfs/dbraw/zinc/41/23/09/549412309.db2.gz	LVAQJYKHPJJFQC-OALUTQOASA-N	1	0	355.482	1.987	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CC(=O)N(C3CC3)C2)c(OC)c1	ZINC000570955752	549475234	/nfs/dbraw/zinc/47/52/34/549475234.db2.gz	GNTYDYKUZZUUTN-WBVHZDCISA-N	1	0	360.454	1.516	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000571586562	549698585	/nfs/dbraw/zinc/69/85/85/549698585.db2.gz	QPZSLIBXGLDJMN-MOPGFXCFSA-N	1	0	355.482	1.987	20	30		FDEDRO
CO[C@@H]1CCN(C(=O)CSc2nc(C)c(C)c(C)c2C#N)[C@@H](C[NH3+])C1	ZINC000571651560	549722265	/nfs/dbraw/zinc/72/22/65/549722265.db2.gz	GBEFCASCPRCRRS-HUUCEWRRSA-N	1	0	362.499	1.935	20	30		FDEDRO
C=CCN(CCOC)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000571971371	549813970	/nfs/dbraw/zinc/81/39/70/549813970.db2.gz	QUANLYUICIXMSX-IBGZPJMESA-N	1	0	360.502	1.819	20	30		FDEDRO
N#Cc1ccc(NC(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1F	ZINC000572376116	549901384	/nfs/dbraw/zinc/90/13/84/549901384.db2.gz	UELKWJGFOZWHEM-GUYCJALGSA-N	1	0	373.432	1.809	20	30		FDEDRO
N#Cc1ncn(CC(=O)N2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)n1	ZINC000572731453	549981916	/nfs/dbraw/zinc/98/19/16/549981916.db2.gz	ZOZJPUVTVWGOHT-IRXDYDNUSA-N	1	0	352.442	1.348	20	30		FDEDRO
C=CCN(C(=O)[C@H]([NH3+])CCC(=O)OC)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000572764976	549989725	/nfs/dbraw/zinc/98/97/25/549989725.db2.gz	WVWDRMWBLRDGGU-CZUORRHYSA-N	1	0	372.429	1.018	20	30		FDEDRO
N#Cc1c(-n2cccn2)cccc1N1CCC(O)(C[NH+]2CCOCC2)CC1	ZINC000572985535	550037932	/nfs/dbraw/zinc/03/79/32/550037932.db2.gz	FVMNAGHQJMRGFQ-UHFFFAOYSA-N	1	0	367.453	1.407	20	30		FDEDRO
C[C@H]1CC(C)(C)C[C@](CO)([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000573230398	550093427	/nfs/dbraw/zinc/09/34/27/550093427.db2.gz	JQIWWWARKFBZJS-KBXCAEBGSA-N	1	0	365.499	1.894	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)n1	ZINC000573341374	550116199	/nfs/dbraw/zinc/11/61/99/550116199.db2.gz	YWCXYGWAVXQNAF-IBGZPJMESA-N	1	0	368.416	2.490	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)ncc1C#N	ZINC000574462985	550318028	/nfs/dbraw/zinc/31/80/28/550318028.db2.gz	LKXMDNZOGQYCQT-UHFFFAOYSA-N	1	0	369.400	1.717	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1	ZINC000574565071	550334550	/nfs/dbraw/zinc/33/45/50/550334550.db2.gz	GHHWGXPXBZHXJZ-LJQANCHMSA-N	1	0	367.453	1.630	20	30		FDEDRO
C[C@@H]1CN(CCO)CCN1C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000574616017	550342562	/nfs/dbraw/zinc/34/25/62/550342562.db2.gz	WIGNIPDTDDPTHJ-GDBMZVCRSA-N	1	0	360.433	1.049	20	30		FDEDRO
Cc1cccc([C@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)N2CCOCC2)c1	ZINC000574661987	550350652	/nfs/dbraw/zinc/35/06/52/550350652.db2.gz	JYEDXVCKNHIJOD-UXHICEINSA-N	1	0	360.502	1.164	20	30		FDEDRO
Cc1ncc2c(n1)CC[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C2	ZINC000574684061	550353663	/nfs/dbraw/zinc/35/36/63/550353663.db2.gz	CPSYFRDNBNBSKK-MRXNPFEDSA-N	1	0	356.451	1.578	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1	ZINC000574749638	550364268	/nfs/dbraw/zinc/36/42/68/550364268.db2.gz	FYXAVYHLJDIBNE-DLBZAZTESA-N	1	0	355.442	1.621	20	30		FDEDRO
N#CCc1ccc(CS(=O)(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1	ZINC000575802813	550477532	/nfs/dbraw/zinc/47/75/32/550477532.db2.gz	SCYIRPGLDACGSH-MSOLQXFVSA-N	1	0	363.483	1.411	20	30		FDEDRO
CCCc1c(NC(=O)NC[C@H]2C[NH2+]CCO2)cnn1-c1cccc(C#N)c1	ZINC000575895320	550488181	/nfs/dbraw/zinc/48/81/81/550488181.db2.gz	XCQGBDDGZCKEHO-MRXNPFEDSA-N	1	0	368.441	1.806	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C	ZINC000576189858	550520711	/nfs/dbraw/zinc/52/07/11/550520711.db2.gz	WEDWOWVMWVEFBO-INIZCTEOSA-N	1	0	367.877	1.720	20	30		FDEDRO
C[N@H+](CC1CC1)C[C@@H]1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000576309164	550534152	/nfs/dbraw/zinc/53/41/52/550534152.db2.gz	RLPGOBCGDAVCTJ-KRWDZBQOSA-N	1	0	362.499	1.391	20	30		FDEDRO
Cc1nn(C)c(C)c1C[C@H](C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000576459397	550551064	/nfs/dbraw/zinc/55/10/64/550551064.db2.gz	KKFGGKRUJHHVMK-LBPRGKRZSA-N	1	0	361.471	1.298	20	30		FDEDRO
COCCn1cc2c(n1)[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)CCC2	ZINC000576745906	550581291	/nfs/dbraw/zinc/58/12/91/550581291.db2.gz	CPIVGNXUBJKDMZ-HKUYNNGSSA-N	1	0	370.453	1.808	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1	ZINC000577127907	550623583	/nfs/dbraw/zinc/62/35/83/550623583.db2.gz	CODIXTURJFFGQE-UHFFFAOYSA-N	1	0	364.449	1.895	20	30		FDEDRO
Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2cccc(C#N)n2)c1	ZINC000577278490	550639842	/nfs/dbraw/zinc/63/98/42/550639842.db2.gz	ASTBTIOULJFABL-UHFFFAOYSA-N	1	0	365.437	1.791	20	30		FDEDRO
C[C@H]1COCC[N@@H+]1C1CCN(CC(=O)NCc2cccc(C#N)c2)CC1	ZINC000577646282	550679748	/nfs/dbraw/zinc/67/97/48/550679748.db2.gz	KAOXAQVSOHMSJI-INIZCTEOSA-N	1	0	356.470	1.360	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)ncc1C#N	ZINC000577862970	550703028	/nfs/dbraw/zinc/70/30/28/550703028.db2.gz	NVSMJZGYFLIMBY-MRXNPFEDSA-N	1	0	369.400	1.758	20	30		FDEDRO
CNC(=O)c1cccc(CC[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)c1	ZINC000578759888	550798855	/nfs/dbraw/zinc/79/88/55/550798855.db2.gz	NZUVCMRCCRCNJD-LJQANCHMSA-N	1	0	367.449	1.684	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C#N)c(Br)c2)C1	ZINC000579188935	550845097	/nfs/dbraw/zinc/84/50/97/550845097.db2.gz	XLHUBVPVZAIBBF-NSHDSACASA-N	1	0	372.288	1.941	20	30		FDEDRO
CCc1cnccc1[C@@H](C)[NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000579880598	550919860	/nfs/dbraw/zinc/91/98/60/550919860.db2.gz	BTFDWBPYTDXSKD-VQIMIIECSA-N	1	0	357.502	1.987	20	30		FDEDRO
N#CC1(CNC(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CC1	ZINC000580751326	551014474	/nfs/dbraw/zinc/01/44/74/551014474.db2.gz	RHMSLMLHOVWUMT-KRWDZBQOSA-N	1	0	369.469	1.487	20	30		FDEDRO
Cn1ccnc1[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCO1	ZINC000580947349	551035646	/nfs/dbraw/zinc/03/56/46/551035646.db2.gz	AEFKHHGJOKQDFI-DOTOQJQBSA-N	1	0	374.466	1.575	20	30		FDEDRO
C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NCc2ccc(CC#N)cc2)C1	ZINC000581547806	551102905	/nfs/dbraw/zinc/10/29/05/551102905.db2.gz	YOQOEMQVEHHCDP-CALCHBBNSA-N	1	0	370.497	1.853	20	30		FDEDRO
C[C@]1(CNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCC[NH2+]C1	ZINC000581777462	551134948	/nfs/dbraw/zinc/13/49/48/551134948.db2.gz	KMIRJUVDZSHYLQ-ICSRJNTNSA-N	1	0	355.486	1.796	20	30		FDEDRO
CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000581809599	551135477	/nfs/dbraw/zinc/13/54/77/551135477.db2.gz	OEUQWKGMDYNMKO-SOLBZPMBSA-N	1	0	366.483	1.438	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000582143529	551182241	/nfs/dbraw/zinc/18/22/41/551182241.db2.gz	XBANXTMVEAGJDE-CVEARBPZSA-N	1	0	351.491	1.417	20	30		FDEDRO
C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000582360205	551212857	/nfs/dbraw/zinc/21/28/57/551212857.db2.gz	FDDHHOLTOFEPBC-IUCAKERBSA-N	1	0	353.220	1.501	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(N3CCOCC3)nc2)cc1	ZINC000582720333	551259313	/nfs/dbraw/zinc/25/93/13/551259313.db2.gz	JYWFKQUDRIGXTF-SFHVURJKSA-N	1	0	368.437	1.319	20	30		FDEDRO
Cc1cccc(OC[C@@H](O)C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)c1	ZINC000582726293	551260189	/nfs/dbraw/zinc/26/01/89/551260189.db2.gz	VZBSSDXLDPPBTC-KRWDZBQOSA-N	1	0	374.462	1.670	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1	ZINC000582924356	551281944	/nfs/dbraw/zinc/28/19/44/551281944.db2.gz	BSBNSQVNDIIVND-UHFFFAOYSA-N	1	0	365.518	1.858	20	30		FDEDRO
C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Br)ccc2C#N)C1	ZINC000583013222	551291005	/nfs/dbraw/zinc/29/10/05/551291005.db2.gz	OSKWYZZGGZYJPH-LLVKDONJSA-N	1	0	372.288	1.941	20	30		FDEDRO
N#Cc1ccc(OC2CCC(NC(=O)NC[C@H]3C[NH2+]CCCO3)CC2)nc1	ZINC000583014388	551291291	/nfs/dbraw/zinc/29/12/91/551291291.db2.gz	XJNREUWGENMLJL-OFLPRAFFSA-N	1	0	373.457	1.321	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCN(C(=O)CC)C2)c(OC)c1	ZINC000583258818	551326188	/nfs/dbraw/zinc/32/61/88/551326188.db2.gz	UCOSAOXOCZQYFL-IRXDYDNUSA-N	1	0	362.470	1.764	20	30		FDEDRO
CC[NH2+]CCCNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000583311855	551333395	/nfs/dbraw/zinc/33/33/95/551333395.db2.gz	AAVIBEULHGQXEX-UHFFFAOYSA-N	1	0	357.458	1.918	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)CC1(C)COC1	ZINC000583787587	551401748	/nfs/dbraw/zinc/40/17/48/551401748.db2.gz	DEXXKAINDDMNMM-UHFFFAOYSA-N	1	0	351.472	1.288	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccc(C#N)cc1	ZINC000585713199	551586181	/nfs/dbraw/zinc/58/61/81/551586181.db2.gz	JNXAKIPJYZMXHI-QAPCUYQASA-N	1	0	354.454	1.822	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)c1cccc(C#N)c1	ZINC000585725056	551587774	/nfs/dbraw/zinc/58/77/74/551587774.db2.gz	YWIWWLCPYMAXCI-AWEZNQCLSA-N	1	0	354.454	1.726	20	30		FDEDRO
N#Cc1cccc(F)c1CC(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000586769010	551617064	/nfs/dbraw/zinc/61/70/64/551617064.db2.gz	ZWDNUUXNQBLGEH-KRWDZBQOSA-N	1	0	358.417	1.181	20	30		FDEDRO
C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1	ZINC000586779380	551618938	/nfs/dbraw/zinc/61/89/38/551618938.db2.gz	UDWKBONZQXUJED-NEWSRXKRSA-N	1	0	359.470	1.287	20	30		FDEDRO
C[NH+](C)CC1CCC(NC(=O)C(=O)NCc2ccc(C#N)cc2F)CC1	ZINC000586858807	551626289	/nfs/dbraw/zinc/62/62/89/551626289.db2.gz	HHKGWSISNXGRIZ-UHFFFAOYSA-N	1	0	360.433	1.550	20	30		FDEDRO
C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)NCc1ccc(C#N)cc1F	ZINC000586859017	551626592	/nfs/dbraw/zinc/62/65/92/551626592.db2.gz	PEAYRUHKDVJUSK-KBPBESRZSA-N	1	0	360.433	1.693	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCc2ccc(C#N)cc2F)C1	ZINC000586860379	551626778	/nfs/dbraw/zinc/62/67/78/551626778.db2.gz	CSIMGFPAVHJXLN-DOTOQJQBSA-N	1	0	358.417	1.256	20	30		FDEDRO
CC(C)(CNC(=O)C(=O)NCc1ccc(C#N)cc1F)C[NH+]1CCCC1	ZINC000586863742	551627476	/nfs/dbraw/zinc/62/74/76/551627476.db2.gz	ZESLUIYBURQWRX-UHFFFAOYSA-N	1	0	360.433	1.552	20	30		FDEDRO
CC[NH+]1CCC(CCNC(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)CC1	ZINC000587665676	551633192	/nfs/dbraw/zinc/63/31/92/551633192.db2.gz	QTTCMWLPZLXDNJ-OAHLLOKOSA-N	1	0	356.470	1.974	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CCCC(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1	ZINC000588860573	551694113	/nfs/dbraw/zinc/69/41/13/551694113.db2.gz	ITPQNOVVFKRRFC-IAGOWNOFSA-N	1	0	370.453	1.335	20	30		FDEDRO
CN(CCOCc1ccc(C#N)cc1)C(=O)NCC1([NH+](C)C)CCOCC1	ZINC000588884470	551696404	/nfs/dbraw/zinc/69/64/04/551696404.db2.gz	XBTAKNRYHNLYNF-UHFFFAOYSA-N	1	0	374.485	1.827	20	30		FDEDRO
C[C@@H](c1ccccc1)[C@H](CO)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000588967461	551701760	/nfs/dbraw/zinc/70/17/60/551701760.db2.gz	SCNGYUVQUBZZJN-YOEHRIQHSA-N	1	0	359.451	1.481	20	30		FDEDRO
CCOC(=O)c1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1	ZINC000589058744	551707109	/nfs/dbraw/zinc/70/71/09/551707109.db2.gz	XLVDUVORJHUYBS-UHFFFAOYSA-N	1	0	373.434	1.693	20	30		FDEDRO
N#Cc1cccc(C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)n1	ZINC000589320759	551724318	/nfs/dbraw/zinc/72/43/18/551724318.db2.gz	LCVQWJYASAYQOQ-UHFFFAOYSA-N	1	0	363.421	1.903	20	30		FDEDRO
N#Cc1ncn(CC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)n1	ZINC000589980823	551754751	/nfs/dbraw/zinc/75/47/51/551754751.db2.gz	TVXWWRVEMOQNOI-IAGOWNOFSA-N	1	0	350.426	1.130	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1	ZINC000590219080	551765645	/nfs/dbraw/zinc/76/56/45/551765645.db2.gz	ISWWFECOHROYJQ-GFCCVEGCSA-N	1	0	365.231	1.470	20	30		FDEDRO
CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(C#N)cn1	ZINC000590246918	551767242	/nfs/dbraw/zinc/76/72/42/551767242.db2.gz	YDSNRGHRSDWKMJ-CVEARBPZSA-N	1	0	357.458	1.909	20	30		FDEDRO
C[NH+]1CC2(C1)CCN(C(=O)CCC(=O)N(CCC#N)c1ccccc1)C2	ZINC000590335675	551774315	/nfs/dbraw/zinc/77/43/15/551774315.db2.gz	UJAYLMCMZNETDE-UHFFFAOYSA-N	1	0	354.454	1.878	20	30		FDEDRO
CC(C)C[C@H](NC(=O)c1ccc(C#N)cn1)C(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000590398535	551779992	/nfs/dbraw/zinc/77/99/92/551779992.db2.gz	OJJBKJTURLQKOL-WBVHZDCISA-N	1	0	357.458	1.260	20	30		FDEDRO
N#Cc1cc(Br)cnc1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000590688621	551805532	/nfs/dbraw/zinc/80/55/32/551805532.db2.gz	YFVUBJNIRCQESO-ZIAGYGMSSA-N	1	0	351.248	1.751	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc1	ZINC000590762712	551814172	/nfs/dbraw/zinc/81/41/72/551814172.db2.gz	COVUDIKNRQFXDG-SQWLQELKSA-N	1	0	358.360	1.737	20	30		FDEDRO
C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)COc2ccc(C#N)c(Br)c2)C1	ZINC000590765373	551814749	/nfs/dbraw/zinc/81/47/49/551814749.db2.gz	SGRNNIALKSXZQU-WFASDCNBSA-N	1	0	364.243	1.862	20	30		FDEDRO
Cc1cc(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c(C#N)cc1[N+](=O)[O-]	ZINC000591151056	551847614	/nfs/dbraw/zinc/84/76/14/551847614.db2.gz	ZCWLTWXJIDMDMH-HNNXBMFYSA-N	1	0	357.414	1.693	20	30		FDEDRO
C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	ZINC000591292587	551857171	/nfs/dbraw/zinc/85/71/71/551857171.db2.gz	RIGFIGDIRQAXST-ZDUSSCGKSA-N	1	0	365.393	1.504	20	30		FDEDRO
CC[C@H]1CN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC[C@@H]1[NH3+]	ZINC000591297482	551857926	/nfs/dbraw/zinc/85/79/26/551857926.db2.gz	KQHFACMHWMDUSR-WFASDCNBSA-N	1	0	356.405	2.474	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCO1	ZINC000591299333	551858171	/nfs/dbraw/zinc/85/81/71/551858171.db2.gz	GNUISLOJLISTJP-TVQRCGJNSA-N	1	0	370.331	1.090	20	30		FDEDRO
CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC[NH2+]1	ZINC000591303175	551858969	/nfs/dbraw/zinc/85/89/69/551858969.db2.gz	KWIZREXIFCNIEJ-CQSZACIVSA-N	1	0	368.359	1.972	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccc1F	ZINC000591308392	551860056	/nfs/dbraw/zinc/86/00/56/551860056.db2.gz	NDBSIWQZANVJDL-ZIAGYGMSSA-N	1	0	358.417	1.874	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1	ZINC000591310879	551860618	/nfs/dbraw/zinc/86/06/18/551860618.db2.gz	IZGJYPYDRLVADW-UHFFFAOYSA-N	1	0	351.414	1.422	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N[C@H]3CCCC[C@H]3C[NH3+])CC2)nc1	ZINC000591350625	551865016	/nfs/dbraw/zinc/86/50/16/551865016.db2.gz	ZMJRGTKQLQOWLA-RDJZCZTQSA-N	1	0	356.474	1.739	20	30		FDEDRO
CC[NH+]1CCC(N2CCCN(C(=O)c3cc(O)cc(C#N)c3)CC2)CC1	ZINC000591539554	551877059	/nfs/dbraw/zinc/87/70/59/551877059.db2.gz	DFLUCCQDVJTDTJ-UHFFFAOYSA-N	1	0	356.470	1.896	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]C2CCN(CC(F)F)CC2)cc1	ZINC000591728767	551904101	/nfs/dbraw/zinc/90/41/01/551904101.db2.gz	GTTRMRHFWWIJHM-MRXNPFEDSA-N	1	0	353.413	1.811	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H]1CCCN(Cc2cccs2)C1	ZINC000591728855	551904297	/nfs/dbraw/zinc/90/42/97/551904297.db2.gz	ZRBKDIZNAXZCOY-SJORKVTESA-N	1	0	350.532	1.756	20	30		FDEDRO
COc1cccc2c1OC[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C2	ZINC000591733820	551904859	/nfs/dbraw/zinc/90/48/59/551904859.db2.gz	PFNAPLSFRKMQFX-OAHLLOKOSA-N	1	0	373.434	1.329	20	30		FDEDRO
Cc1cc(C[C@H](C)[NH2+]C[C@@H](O)CN(C)CCC#N)n(-c2ccccc2)n1	ZINC000591756878	551906211	/nfs/dbraw/zinc/90/62/11/551906211.db2.gz	XNBYJEQNLYETFV-OXJNMPFZSA-N	1	0	355.486	1.908	20	30		FDEDRO
Cc1cc(C[C@H](C)[NH2+]C[C@H](O)CN(C)CCC#N)n(-c2ccccc2)n1	ZINC000591756877	551906388	/nfs/dbraw/zinc/90/63/88/551906388.db2.gz	XNBYJEQNLYETFV-JXFKEZNVSA-N	1	0	355.486	1.908	20	30		FDEDRO
Cn1cc(C#N)c(=NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)[nH]1	ZINC000591865011	551912187	/nfs/dbraw/zinc/91/21/87/551912187.db2.gz	AOEYYHQFNLSCIO-DOTOQJQBSA-N	1	0	350.426	2.030	20	30		FDEDRO
CN1CCC([N@@H+]2CC[C@H](NC(=O)NCc3ccc(CC#N)cc3)C2)CC1	ZINC000591939946	551918792	/nfs/dbraw/zinc/91/87/92/551918792.db2.gz	ZYKQMJIVIXEEPW-SFHVURJKSA-N	1	0	355.486	1.720	20	30		FDEDRO
CO[C@@H](CS(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)C(C)C	ZINC000592019801	551927466	/nfs/dbraw/zinc/92/74/66/551927466.db2.gz	LUKJCZJAMUOJHM-SFHVURJKSA-N	1	0	367.515	1.923	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)CC1	ZINC000592068722	551935640	/nfs/dbraw/zinc/93/56/40/551935640.db2.gz	UYKXOWMXDOODCI-UHFFFAOYSA-N	1	0	369.425	1.212	20	30		FDEDRO
N#CC[C@]1(O)CCN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1	ZINC000592152559	551950627	/nfs/dbraw/zinc/95/06/27/551950627.db2.gz	ZWMFBZUGUIVZMP-IBGZPJMESA-N	1	0	374.510	1.524	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2)C1	ZINC000592155583	551951561	/nfs/dbraw/zinc/95/15/61/551951561.db2.gz	PQZXKPLGURDBMH-FUHWJXTLSA-N	1	0	356.470	1.633	20	30		FDEDRO
CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCC(=O)Nc2sccc2C#N)C1	ZINC000592184764	551955281	/nfs/dbraw/zinc/95/52/81/551955281.db2.gz	POXHIXKGUBSRIP-CQSZACIVSA-N	1	0	374.388	1.949	20	30		FDEDRO
COC(=O)[C@H]1C[C@@H](O)C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000592199891	551957721	/nfs/dbraw/zinc/95/77/21/551957721.db2.gz	VGCIHPXZBXLVMW-GXTWGEPZSA-N	1	0	365.817	1.396	20	30		FDEDRO
COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000592209156	551960470	/nfs/dbraw/zinc/96/04/70/551960470.db2.gz	VMYMNCJHKHAOSK-NVXWUHKLSA-N	1	0	354.410	1.315	20	30		FDEDRO
N#Cc1cccc(NC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)n1	ZINC000592263188	551969543	/nfs/dbraw/zinc/96/95/43/551969543.db2.gz	XWICVGBBXMVDEH-QGZVFWFLSA-N	1	0	351.410	1.494	20	30		FDEDRO
CCCN(C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@@H]1CC[N@H+](C)C1	ZINC000592300531	551975000	/nfs/dbraw/zinc/97/50/00/551975000.db2.gz	REDFOYANOFMNMW-OAHLLOKOSA-N	1	0	359.474	1.996	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1	ZINC000592375465	551985845	/nfs/dbraw/zinc/98/58/45/551985845.db2.gz	UULLLDWLNXSQRP-GXTWGEPZSA-N	1	0	364.427	1.619	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1C(F)(F)F	ZINC000592381306	551986364	/nfs/dbraw/zinc/98/63/64/551986364.db2.gz	GMRXOPMWOICALN-IINYFYTJSA-N	1	0	359.373	1.950	20	30		FDEDRO
COCCn1cc2c(n1)[C@@H]([NH2+]C[C@H]1CNc3c(C#N)cnn3C1)CCC2	ZINC000592506297	552003453	/nfs/dbraw/zinc/00/34/53/552003453.db2.gz	NHYCLAIIKQPGEI-BBRMVZONSA-N	1	0	355.446	1.307	20	30		FDEDRO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000592524230	552004479	/nfs/dbraw/zinc/00/44/79/552004479.db2.gz	UNFFOMWPIWUIKO-HNNXBMFYSA-N	1	0	366.469	1.511	20	30		FDEDRO
C[C@@H](CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)[NH+](C)C	ZINC000592749254	552023674	/nfs/dbraw/zinc/02/36/74/552023674.db2.gz	MMPOVMIIQHFHMJ-NSHDSACASA-N	1	0	365.275	1.823	20	30		FDEDRO
COC[C@]1(C)NC(=O)N(C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1=O	ZINC000593234118	552075421	/nfs/dbraw/zinc/07/54/21/552075421.db2.gz	YSNSMGPYEMMOPM-IBGZPJMESA-N	1	0	356.426	1.480	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@H]3CCCNC3=O)CC2)c1	ZINC000593334608	552091278	/nfs/dbraw/zinc/09/12/78/552091278.db2.gz	GPJABJKKGATNDE-KRWDZBQOSA-N	1	0	355.442	1.100	20	30		FDEDRO
N#Cc1cccc2c1CN(C(=O)NC1CC[NH+]([C@@H]3CCC[C@@H]3O)CC1)C2	ZINC000593381541	552099342	/nfs/dbraw/zinc/09/93/42/552099342.db2.gz	IAVONXDXVZGUCZ-MOPGFXCFSA-N	1	0	354.454	1.961	20	30		FDEDRO
COCC[N@H+](C)CCNC(=O)Cc1ccc(Br)cc1C#N	ZINC000593449003	552110126	/nfs/dbraw/zinc/11/01/26/552110126.db2.gz	TYKRAOXFVBHHHC-UHFFFAOYSA-N	1	0	354.248	1.558	20	30		FDEDRO
COC(=O)[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000593510542	552119737	/nfs/dbraw/zinc/11/97/37/552119737.db2.gz	NAPNWIGMAICEMR-QGZVFWFLSA-N	1	0	370.453	1.727	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000593530321	552124259	/nfs/dbraw/zinc/12/42/59/552124259.db2.gz	KBKHCUKAQJKKBJ-LSDHHAIUSA-N	1	0	363.439	1.250	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@H]1CC[N@H+](CC2CC2)C1	ZINC000593541328	552127724	/nfs/dbraw/zinc/12/77/24/552127724.db2.gz	LJEANHGIBDCUGK-AWEZNQCLSA-N	1	0	363.439	1.107	20	30		FDEDRO
C[NH+](C)C[C@](C)(O)CNC(=O)Cc1ccc(Br)cc1C#N	ZINC000593547674	552129640	/nfs/dbraw/zinc/12/96/40/552129640.db2.gz	ICDZBEMMDMNKLG-OAHLLOKOSA-N	1	0	354.248	1.292	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)C[NH+]1CCCCC1	ZINC000593581990	552143196	/nfs/dbraw/zinc/14/31/96/552143196.db2.gz	RXOJXIIETSULJU-ZDUSSCGKSA-N	1	0	365.455	1.498	20	30		FDEDRO
CC[C@@H](C#N)C(=O)Nc1cccc(S(=O)(=O)NCCCC[NH+](C)C)c1	ZINC000593690834	552175128	/nfs/dbraw/zinc/17/51/28/552175128.db2.gz	ZUPFFOYTWVLCJV-AWEZNQCLSA-N	1	0	366.487	1.795	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)NCCC3(C[NH3+])CC3)C2=O)cc1	ZINC000593709202	552179038	/nfs/dbraw/zinc/17/90/38/552179038.db2.gz	XARNJJPKORGHGZ-INIZCTEOSA-N	1	0	355.442	1.482	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCCC2(C[NH3+])CC2)cc1Br	ZINC000593731428	552185595	/nfs/dbraw/zinc/18/55/95/552185595.db2.gz	WYFYAHWEXYVEFC-UHFFFAOYSA-N	1	0	358.261	1.728	20	30		FDEDRO
N#Cc1cccc(CS(=O)(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1	ZINC000593733398	552186298	/nfs/dbraw/zinc/18/62/98/552186298.db2.gz	GJKMRWBXGRGPOY-RCCFBDPRSA-N	1	0	363.483	1.606	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1	ZINC000593767245	552194510	/nfs/dbraw/zinc/19/45/10/552194510.db2.gz	OERFRALNNKSEDH-XYJFISCASA-N	1	0	370.453	1.550	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NCCC2(C[NH3+])CC2)cc1C(F)(F)F	ZINC000593769915	552194977	/nfs/dbraw/zinc/19/49/77/552194977.db2.gz	FHZINIJHVZMJQO-UHFFFAOYSA-N	1	0	354.332	1.761	20	30		FDEDRO
N#Cc1cccc(OC2CCN(C(=O)C(=O)NCCC3(C[NH3+])CC3)CC2)c1	ZINC000593772450	552195603	/nfs/dbraw/zinc/19/56/03/552195603.db2.gz	PVQDLOFFJSZTPZ-UHFFFAOYSA-N	1	0	370.453	1.173	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cccc(C(N)=O)n3)CC2)c1	ZINC000593886970	552217788	/nfs/dbraw/zinc/21/77/88/552217788.db2.gz	WEAOYPTWOJYQEK-UHFFFAOYSA-N	1	0	363.421	1.447	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1	ZINC000593913218	552224260	/nfs/dbraw/zinc/22/42/60/552224260.db2.gz	SVIDKTKRNCJPET-LZLYRXPVSA-N	1	0	373.453	1.691	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CCC1	ZINC000593927930	552227792	/nfs/dbraw/zinc/22/77/92/552227792.db2.gz	IWPSTLCCQFMLKC-OAHLLOKOSA-N	1	0	368.481	1.944	20	30		FDEDRO
CCC(=O)N1CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000593929516	552228079	/nfs/dbraw/zinc/22/80/79/552228079.db2.gz	XIPRFVXGBMOXIS-UHFFFAOYSA-N	1	0	369.469	1.744	20	30		FDEDRO
CCN1CCC([NH+]2CCC(C(=O)N[C@@]3(C#N)CCSC3)CC2)CC1	ZINC000594257248	552272005	/nfs/dbraw/zinc/27/20/05/552272005.db2.gz	BKGLRZOHELGNSA-GOSISDBHSA-N	1	0	350.532	1.698	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1	ZINC000594283580	552277198	/nfs/dbraw/zinc/27/71/98/552277198.db2.gz	KSGSALILXJUARI-MSOLQXFVSA-N	1	0	368.485	1.802	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1	ZINC000594293449	552280276	/nfs/dbraw/zinc/28/02/76/552280276.db2.gz	UBMIDQDVORBJLH-YLJYHZDGSA-N	1	0	354.498	1.975	20	30		FDEDRO
C=CCOC[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)C(=O)OC	ZINC000594351175	552293907	/nfs/dbraw/zinc/29/39/07/552293907.db2.gz	GUTFPHWFUUNMGG-CABCVRRESA-N	1	0	356.488	1.064	20	30		FDEDRO
CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])CCCCC#N)cc1	ZINC000594431390	552308899	/nfs/dbraw/zinc/30/88/99/552308899.db2.gz	LODISYBUKKKRPP-DOMZBBRYSA-N	1	0	352.460	1.183	20	30		FDEDRO
COc1ccccc1C(=O)N1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1	ZINC000594427588	552308929	/nfs/dbraw/zinc/30/89/29/552308929.db2.gz	JLLWSZICLIZINJ-MRXNPFEDSA-N	1	0	358.442	1.391	20	30		FDEDRO
CC(C)C[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1nc(-c2nc[nH]n2)no1	ZINC000594446209	552312260	/nfs/dbraw/zinc/31/22/60/552312260.db2.gz	OHMGTDKJYMNMLB-NWDGAFQWSA-N	1	0	360.422	1.469	20	30		FDEDRO
Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1Cc2ccc(C#N)cc2C1	ZINC000594480429	552321743	/nfs/dbraw/zinc/32/17/43/552321743.db2.gz	PZBZHNLPBGDEKW-UHFFFAOYSA-N	1	0	373.482	1.638	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F	ZINC000594532440	552329569	/nfs/dbraw/zinc/32/95/69/552329569.db2.gz	AOXPFLTXHIEFLK-GFCCVEGCSA-N	1	0	358.320	1.290	20	30		FDEDRO
COC(=O)c1ccc(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(C#N)n1	ZINC000594565430	552334168	/nfs/dbraw/zinc/33/41/68/552334168.db2.gz	ZBJPJNKSSYUMCL-QZTJIDSGSA-N	1	0	358.442	1.920	20	30		FDEDRO
N#Cc1c(-n2cccn2)cccc1N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000594566286	552334733	/nfs/dbraw/zinc/33/47/33/552334733.db2.gz	LBARPYYTDIUMNW-LJQANCHMSA-N	1	0	364.453	1.662	20	30		FDEDRO
COCC[NH2+]Cc1ccn(Cc2cn(CC3(C#N)CCCCC3)nn2)n1	ZINC000594658576	552349894	/nfs/dbraw/zinc/34/98/94/552349894.db2.gz	VOIYFQVPIHBEDP-UHFFFAOYSA-N	1	0	357.462	1.733	20	30		FDEDRO
Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC[C@@]1(O)CC[N@@H+](C)C1	ZINC000594768041	552377189	/nfs/dbraw/zinc/37/71/89/552377189.db2.gz	HKPXCSSPLPDPIM-INIZCTEOSA-N	1	0	365.480	1.426	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])C(C)C	ZINC000594771820	552379022	/nfs/dbraw/zinc/37/90/22/552379022.db2.gz	UIYGJAAGVNHUSV-OAHLLOKOSA-N	1	0	368.459	1.967	20	30		FDEDRO
N#CC1(CS(=O)(=O)NCC2CC[NH+](C3CCOCC3)CC2)CCC1	ZINC000594799978	552389529	/nfs/dbraw/zinc/38/95/29/552389529.db2.gz	IHBNFTCELFIUFW-UHFFFAOYSA-N	1	0	355.504	1.491	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NCC1CC[NH+](Cc2ccncc2)CC1	ZINC000594829005	552400468	/nfs/dbraw/zinc/40/04/68/552400468.db2.gz	DTIXYGQIGJQBBD-OAHLLOKOSA-N	1	0	365.503	1.219	20	30		FDEDRO
CCN(C(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C)[C@@H]1CC[N@H+](C)C1	ZINC000595102754	552451181	/nfs/dbraw/zinc/45/11/81/552451181.db2.gz	JGVZAJPVWGMTTC-OAHLLOKOSA-N	1	0	358.442	1.837	20	30		FDEDRO
N#Cc1ncccc1S(=O)(=O)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1	ZINC000595120121	552457424	/nfs/dbraw/zinc/45/74/24/552457424.db2.gz	NIQNACYFHVAFCC-HOCLYGCPSA-N	1	0	360.414	1.516	20	30		FDEDRO
C[C@@H](CCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[NH+](C)C	ZINC000595125560	552459030	/nfs/dbraw/zinc/45/90/30/552459030.db2.gz	NMZKLLSZSRUDCN-JTQLQIEISA-N	1	0	356.348	1.972	20	30		FDEDRO
C[C@H](CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)[NH+](C)C	ZINC000595126469	552459429	/nfs/dbraw/zinc/45/94/29/552459429.db2.gz	YJKXOINJIXDLKW-SNVBAGLBSA-N	1	0	367.247	1.716	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@](C)(C#N)C1	ZINC000595130539	552461195	/nfs/dbraw/zinc/46/11/95/552461195.db2.gz	LQYUKXUAESRGHU-HXUWFJFHSA-N	1	0	367.453	1.211	20	30		FDEDRO
CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1cccc(C#N)c1Br	ZINC000595151018	552468498	/nfs/dbraw/zinc/46/84/98/552468498.db2.gz	GMLUGZFBWXNKEJ-UHFFFAOYSA-N	1	0	365.231	1.279	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N1CC[C@@](C)(C#N)C1	ZINC000595163345	552473695	/nfs/dbraw/zinc/47/36/95/552473695.db2.gz	JVUOJXHQDCHQQI-UTKZUKDTSA-N	1	0	368.481	1.872	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1	ZINC000595180241	552480212	/nfs/dbraw/zinc/48/02/12/552480212.db2.gz	YYKBTFSAALQSCI-RDJZCZTQSA-N	1	0	365.543	1.887	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1	ZINC000595229784	552498868	/nfs/dbraw/zinc/49/88/68/552498868.db2.gz	NOPUQPFJRDOLGD-UHFFFAOYSA-N	1	0	370.453	1.744	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC2([NH3+])CCCC2)cc1	ZINC000595232370	552499646	/nfs/dbraw/zinc/49/96/46/552499646.db2.gz	YXTSAKRQMCMWMO-GFCCVEGCSA-N	1	0	350.444	1.765	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)NCC3([NH3+])CCCC3)C2=O)cc1	ZINC000595264812	552507992	/nfs/dbraw/zinc/50/79/92/552507992.db2.gz	PXBPFKKMTCPIAS-INIZCTEOSA-N	1	0	355.442	1.624	20	30		FDEDRO
COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCO[C@@H](C#N)C2)cc1F	ZINC000595269211	552508767	/nfs/dbraw/zinc/50/87/67/552508767.db2.gz	IYHGZWKBEXRMCS-DZKIICNBSA-N	1	0	362.405	1.214	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CCCCC1	ZINC000595278569	552510815	/nfs/dbraw/zinc/51/08/15/552510815.db2.gz	OYGRFWDLISDKFQ-DOTOQJQBSA-N	1	0	372.444	1.669	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccc(C#N)cc1	ZINC000595279828	552511388	/nfs/dbraw/zinc/51/13/88/552511388.db2.gz	WGZUBTFYWNEVDP-HNAYVOBHSA-N	1	0	368.481	1.974	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1	ZINC000595285073	552511812	/nfs/dbraw/zinc/51/18/12/552511812.db2.gz	ZMUZXDHMLQQHRE-CVEARBPZSA-N	1	0	369.531	1.157	20	30		FDEDRO
CC(C)C[NH2+]C1(CO)CCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1	ZINC000595510839	552576156	/nfs/dbraw/zinc/57/61/56/552576156.db2.gz	FOVDIBANUBXBHO-AEFFLSMTSA-N	1	0	352.523	1.502	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000595549307	552582733	/nfs/dbraw/zinc/58/27/33/552582733.db2.gz	CFWDJNMYOKGBPL-QGZVFWFLSA-N	1	0	357.502	1.674	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CCN(CCOCCO)C2CCC2)c1	ZINC000595599544	552590616	/nfs/dbraw/zinc/59/06/16/552590616.db2.gz	XZHOGPVOZXQNBE-UHFFFAOYSA-N	1	0	352.456	1.195	20	30		FDEDRO
CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000595632452	552595547	/nfs/dbraw/zinc/59/55/47/552595547.db2.gz	OGOIAVPFUNMMCN-RAUXBKROSA-N	1	0	362.470	1.648	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000595664032	552599704	/nfs/dbraw/zinc/59/97/04/552599704.db2.gz	WQIMLGUQESPPJE-MRXNPFEDSA-N	1	0	356.474	1.658	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1	ZINC000595705977	552605070	/nfs/dbraw/zinc/60/50/70/552605070.db2.gz	ZDOREIRYJCKESQ-INIZCTEOSA-N	1	0	356.474	1.658	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1	ZINC000595747895	552610518	/nfs/dbraw/zinc/61/05/18/552610518.db2.gz	OLDJGSWUGBWSIM-RBUKOAKNSA-N	1	0	354.454	1.740	20	30		FDEDRO
CCOC(=O)CN(C)C(=O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1	ZINC000595763689	552613016	/nfs/dbraw/zinc/61/30/16/552613016.db2.gz	BAFFKKXWYWQAPB-UHFFFAOYSA-N	1	0	359.426	1.175	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000595808801	552618442	/nfs/dbraw/zinc/61/84/42/552618442.db2.gz	WQRPRPLDGKVYKD-IBGZPJMESA-N	1	0	355.486	1.870	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@@H](N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1=O	ZINC000595862682	552625231	/nfs/dbraw/zinc/62/52/31/552625231.db2.gz	FVVLUDQRUFJZFA-HZPDHXFCSA-N	1	0	360.483	1.256	20	30		FDEDRO
C=C[C@H](CO)[NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2	ZINC000595864232	552625544	/nfs/dbraw/zinc/62/55/44/552625544.db2.gz	WFWDLKQDZBJENJ-CABCVRRESA-N	1	0	372.469	1.493	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](N3CCC([N@@H+]4CC[C@H](O)C4)CC3)C2=O)cc1	ZINC000595864901	552625563	/nfs/dbraw/zinc/62/55/63/552625563.db2.gz	WWLKRPIQYZBZHU-VQTJNVASSA-N	1	0	368.481	1.585	20	30		FDEDRO
N#CC1(CC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCCCC1	ZINC000595909064	552632129	/nfs/dbraw/zinc/63/21/29/552632129.db2.gz	LQGDXCJXUXJOFH-SJORKVTESA-N	1	0	360.502	1.957	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CCN(C(=O)C4([NH3+])CCCC4)CC3)n[nH]2)cc1	ZINC000595969376	552639870	/nfs/dbraw/zinc/63/98/70/552639870.db2.gz	FBYDLIUBEXAJCM-UHFFFAOYSA-N	1	0	364.453	1.868	20	30		FDEDRO
COC(=O)c1cnc([C@H]2CCCN(C(=O)[C@@H]([NH3+])CCCC#N)C2)s1	ZINC000595996212	552642245	/nfs/dbraw/zinc/64/22/45/552642245.db2.gz	QARUVQYLLZWSSW-RYUDHWBXSA-N	1	0	350.444	1.657	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@@H](NC2CC[NH+]([C@H]3CCOC3)CC2)C1=O	ZINC000596045317	552649251	/nfs/dbraw/zinc/64/92/51/552649251.db2.gz	BQMDVKHDBQCLGT-JKSUJKDBSA-N	1	0	360.483	1.568	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@@H](NC2CC[NH+]([C@@H]3CCOC3)CC2)C1=O	ZINC000596045316	552649268	/nfs/dbraw/zinc/64/92/68/552649268.db2.gz	BQMDVKHDBQCLGT-HZPDHXFCSA-N	1	0	360.483	1.568	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]CC2(CC(N)=O)CCCCC2)c1	ZINC000596070294	552652075	/nfs/dbraw/zinc/65/20/75/552652075.db2.gz	QJWCGUCUMNMYNL-UHFFFAOYSA-N	1	0	363.483	1.747	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]CC2(CC(N)=O)CCCCC2)cc1	ZINC000596071013	552652244	/nfs/dbraw/zinc/65/22/44/552652244.db2.gz	VWRDQHBARGGJNI-KRWDZBQOSA-N	1	0	359.470	1.908	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)N[C@@]2(C)CC[NH2+]C2)c(C#N)cn1CCOC	ZINC000596123963	552657907	/nfs/dbraw/zinc/65/79/07/552657907.db2.gz	UJSZMAFCXRVLHH-KRWDZBQOSA-N	1	0	363.418	1.056	20	30		FDEDRO
CN(CC1C[NH+](C)C1)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000596551756	552688263	/nfs/dbraw/zinc/68/82/63/552688263.db2.gz	LSUMOJPZKXCYMO-QGZVFWFLSA-N	1	0	355.442	1.257	20	30		FDEDRO
C[C@@H](CCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[NH+](C)C	ZINC000596558215	552688911	/nfs/dbraw/zinc/68/89/11/552688911.db2.gz	YCJNOLNGRCMIDV-YOEHRIQHSA-N	1	0	357.458	1.693	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c2ncnn21	ZINC000596687939	552701780	/nfs/dbraw/zinc/70/17/80/552701780.db2.gz	GBUAFCHXLDKENC-RHSMWYFYSA-N	1	0	367.457	1.929	20	30		FDEDRO
CC(C)C[C@H](NC(=O)NCC1(C#N)CCCCC1)C(=O)NCC[NH+](C)C	ZINC000596869582	552719776	/nfs/dbraw/zinc/71/97/76/552719776.db2.gz	UPPKMCFAABBSSX-INIZCTEOSA-N	1	0	365.522	1.852	20	30		FDEDRO
N#Cc1c(F)cc(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1F	ZINC000597063098	552741335	/nfs/dbraw/zinc/74/13/35/552741335.db2.gz	FNBXDMDTYKCLNE-INIZCTEOSA-N	1	0	362.380	1.391	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)C1	ZINC000597401164	552784591	/nfs/dbraw/zinc/78/45/91/552784591.db2.gz	HBAJGPCRCCZEBR-MRXNPFEDSA-N	1	0	369.469	1.066	20	30		FDEDRO
N#Cc1cc(Cl)c(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c(Cl)c1	ZINC000597627058	552814286	/nfs/dbraw/zinc/81/42/86/552814286.db2.gz	XLCVQTINNUXPLI-GFCCVEGCSA-N	1	0	353.253	1.985	20	30		FDEDRO
C[NH+](C)CC1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1	ZINC000597706725	552824325	/nfs/dbraw/zinc/82/43/25/552824325.db2.gz	YTPGCEVXYBMQMD-CQSZACIVSA-N	1	0	360.845	1.585	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H](NC(=O)CCCC(=O)Nc2ccccc2C#N)C1	ZINC000597795092	552833393	/nfs/dbraw/zinc/83/33/93/552833393.db2.gz	WJVSBDWLOKTPQX-QGZVFWFLSA-N	1	0	372.469	1.894	20	30		FDEDRO
CN(CC1C[NH+](C)C1)C(=O)COc1ccc(C#N)c(Br)c1	ZINC000598155913	552869865	/nfs/dbraw/zinc/86/98/65/552869865.db2.gz	BQTZMFDWHCZHAX-UHFFFAOYSA-N	1	0	352.232	1.720	20	30		FDEDRO
CCC[N@H+](C)CC(C)(C)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1	ZINC000598466836	552899604	/nfs/dbraw/zinc/89/96/04/552899604.db2.gz	WYLHJNAQAHDMBE-UHFFFAOYSA-N	1	0	366.487	1.073	20	30		FDEDRO
CC(C)OCCCNC(=O)C1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1	ZINC000598591094	552912612	/nfs/dbraw/zinc/91/26/12/552912612.db2.gz	ZOSQWGLNRQILMR-KRWDZBQOSA-N	1	0	353.507	1.930	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000598600806	552913630	/nfs/dbraw/zinc/91/36/30/552913630.db2.gz	KEPBPPSSVOGEST-HIFRSBDPSA-N	1	0	353.488	1.888	20	30		FDEDRO
COc1cc(C[NH2+]C[C@H](O)CC(C)(C)C#N)ccc1OCC(=O)N(C)C	ZINC000598700164	552926604	/nfs/dbraw/zinc/92/66/04/552926604.db2.gz	LOJMTBGBBRTSAB-OAHLLOKOSA-N	1	0	363.458	1.553	20	30		FDEDRO
N#CCCOCCN1C(=O)NC2(CC[NH+](Cc3ccccc3)CC2)C1=O	ZINC000598712781	552927647	/nfs/dbraw/zinc/92/76/47/552927647.db2.gz	KBASFLSPLXEZOB-UHFFFAOYSA-N	1	0	356.426	1.503	20	30		FDEDRO
COCCNS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)cc1	ZINC000598715806	552927768	/nfs/dbraw/zinc/92/77/68/552927768.db2.gz	UAAHNOANSHAPLW-HNNXBMFYSA-N	1	0	369.487	1.002	20	30		FDEDRO
COC(=O)c1ccsc1N1CC[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1=O	ZINC000598721239	552928081	/nfs/dbraw/zinc/92/80/81/552928081.db2.gz	UCTZXOTVSHWMJA-WCQYABFASA-N	1	0	365.455	1.530	20	30		FDEDRO
C[NH+](C)CC(C)(C)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O	ZINC000598739345	552930020	/nfs/dbraw/zinc/93/00/20/552930020.db2.gz	BNMCTADYDIRQBA-HNNXBMFYSA-N	1	0	371.441	1.220	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)NCC2([NH3+])CCOCC2)ccc1C(F)(F)F	ZINC000599104257	552968087	/nfs/dbraw/zinc/96/80/87/552968087.db2.gz	UHFQKFCWDYYVHL-UHFFFAOYSA-N	1	0	363.361	1.363	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)N[C@H]3CO[C@H](C4CC4)C3)CC2)cc1	ZINC000599222051	552991608	/nfs/dbraw/zinc/99/16/08/552991608.db2.gz	QUFQGXSUPXRLOK-MOPGFXCFSA-N	1	0	354.454	1.953	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)n1C	ZINC000599225369	552993012	/nfs/dbraw/zinc/99/30/12/552993012.db2.gz	LZWYPHARBWOBSN-UHFFFAOYSA-N	1	0	361.471	1.353	20	30		FDEDRO
CC(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000599280231	553013901	/nfs/dbraw/zinc/01/39/01/553013901.db2.gz	ZPAIHITVMHHKKD-DLBZAZTESA-N	1	0	351.491	1.542	20	30		FDEDRO
CS[C@@H]1CN(C[C@@H](O)CC2(C#N)CCOCC2)C[C@@H]1[NH+]1CCCC1	ZINC000599371737	553038480	/nfs/dbraw/zinc/03/84/80/553038480.db2.gz	QDKQWRDAJYRQFN-YESZJQIVSA-N	1	0	353.532	1.569	20	30		FDEDRO
COCC[N@@H+](Cc1scnc1C)C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599396562	553044754	/nfs/dbraw/zinc/04/47/54/553044754.db2.gz	PWSHSJNQQZJUSO-HNNXBMFYSA-N	1	0	353.488	1.971	20	30		FDEDRO
CC(C)(C[C@@H]1CCC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1)C(N)=O	ZINC000599432693	553055359	/nfs/dbraw/zinc/05/53/59/553055359.db2.gz	ZQAOVFWKCJGOSQ-JKSUJKDBSA-N	1	0	351.491	1.671	20	30		FDEDRO
CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000599452561	553060499	/nfs/dbraw/zinc/06/04/99/553060499.db2.gz	SPPYOPBVXSGSPY-DOMZBBRYSA-N	1	0	363.380	1.058	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H](C1CC1)C1(CO)CCOCC1	ZINC000599460281	553063670	/nfs/dbraw/zinc/06/36/70/553063670.db2.gz	VEXXAXHKSJIGAP-MJGOQNOKSA-N	1	0	360.454	1.455	20	30		FDEDRO
CCOC(=O)CC1([NH2+]C[C@@H](O)COc2ccccc2C#N)CCOCC1	ZINC000599481828	553069807	/nfs/dbraw/zinc/06/98/07/553069807.db2.gz	PEUBZXGCIHSTGE-MRXNPFEDSA-N	1	0	362.426	1.390	20	30		FDEDRO
C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)Nc1cnn(-c3ncccc3C#N)c1)C2	ZINC000599604631	553101245	/nfs/dbraw/zinc/10/12/45/553101245.db2.gz	PTXJIPNTRPRIDR-HDICACEKSA-N	1	0	351.414	1.602	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1	ZINC000599632211	553108750	/nfs/dbraw/zinc/10/87/50/553108750.db2.gz	UZYIQIBDKVVMFP-UHFFFAOYSA-N	1	0	365.437	1.810	20	30		FDEDRO
CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000599888487	553167718	/nfs/dbraw/zinc/16/77/18/553167718.db2.gz	GDOHLQWWDUGDFI-CQSZACIVSA-N	1	0	368.359	1.972	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1C#N	ZINC000599898486	553170725	/nfs/dbraw/zinc/17/07/25/553170725.db2.gz	FBYYZTIVMPWUSY-RYUDHWBXSA-N	1	0	369.347	1.186	20	30		FDEDRO
N#Cc1c(F)cccc1N1CCN(C(=O)NCC2([NH3+])CCOCC2)CC1	ZINC000599931061	553176023	/nfs/dbraw/zinc/17/60/23/553176023.db2.gz	SSGDOINTQGWHHB-UHFFFAOYSA-N	1	0	361.421	1.037	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](C)C)c(F)cc1C#N	ZINC000599936954	553177873	/nfs/dbraw/zinc/17/78/73/553177873.db2.gz	QVWMGUPIJKSZLU-ZDUSSCGKSA-N	1	0	364.421	1.737	20	30		FDEDRO
CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(OC)c(C#N)cc2F)C1	ZINC000599952694	553184122	/nfs/dbraw/zinc/18/41/22/553184122.db2.gz	QKEVBWOPHZZDML-LBPRGKRZSA-N	1	0	362.405	1.445	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]CC3(OCCO)CCC(F)(F)CC3)cnc12	ZINC000600188958	553228477	/nfs/dbraw/zinc/22/84/77/553228477.db2.gz	FVLYZGLNQISKPL-UHFFFAOYSA-N	1	0	365.384	1.648	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]Cc2cccc(C(=O)NC3CC3)c2)CCOCC1	ZINC000600718153	553306685	/nfs/dbraw/zinc/30/66/85/553306685.db2.gz	WACICDDEDMESCE-GOSISDBHSA-N	1	0	357.454	1.740	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(Cn2cncn2)cc1	ZINC000600719713	553306802	/nfs/dbraw/zinc/30/68/02/553306802.db2.gz	WBGDRQCKJZHATB-IBGZPJMESA-N	1	0	363.421	1.728	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]CC(=O)N1CCCc2ccccc21	ZINC000600721086	553306974	/nfs/dbraw/zinc/30/69/74/553306974.db2.gz	LIGSYEHPWIIHDY-GOSISDBHSA-N	1	0	365.433	1.867	20	30		FDEDRO
CN(C)C(=O)c1cccc(CC[NH2+]C[C@@H](O)COc2ccccc2C#N)c1	ZINC000600722554	553307040	/nfs/dbraw/zinc/30/70/40/553307040.db2.gz	HCPGCAQPAIQVDN-LJQANCHMSA-N	1	0	367.449	1.832	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]CC(=O)N1CCc2ccccc2C1	ZINC000600723013	553307241	/nfs/dbraw/zinc/30/72/41/553307241.db2.gz	LWBVUUXFQLQFHO-IBGZPJMESA-N	1	0	365.433	1.472	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]CC(=O)N1CCc2ccccc21	ZINC000600723484	553307590	/nfs/dbraw/zinc/30/75/90/553307590.db2.gz	OTFITTWQSHHTRB-KRWDZBQOSA-N	1	0	351.406	1.477	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCCNC(=O)c1ccc(F)cc1	ZINC000600726451	553307868	/nfs/dbraw/zinc/30/78/68/553307868.db2.gz	LJZIUFIGKNNPML-SFHVURJKSA-N	1	0	371.412	1.847	20	30		FDEDRO
COc1ccccc1N1CC[C@H]([NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1=O	ZINC000600731830	553308681	/nfs/dbraw/zinc/30/86/81/553308681.db2.gz	VKTQISIPCCESQQ-CVEARBPZSA-N	1	0	373.453	1.461	20	30		FDEDRO
C[C@]1(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)COc2ccccc2O1	ZINC000600749390	553310865	/nfs/dbraw/zinc/31/08/65/553310865.db2.gz	XMLOJYXNFRSDRE-SFHVURJKSA-N	1	0	373.434	1.547	20	30		FDEDRO
Cn1c2cc(C[NH2+]C[C@@H](O)COc3ccc(CC#N)cc3)ccc2oc1=O	ZINC000600759501	553312345	/nfs/dbraw/zinc/31/23/45/553312345.db2.gz	ZNYWAJHCUIZNHY-MRXNPFEDSA-N	1	0	367.405	1.727	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)Cn2cc(C)c(C(F)(F)F)n2)c1C#N	ZINC000600814615	553317912	/nfs/dbraw/zinc/31/79/12/553317912.db2.gz	IEEFLCQHDRDLMB-UHFFFAOYSA-N	1	0	369.351	1.596	20	30		FDEDRO
COC(=O)[C@@H]1O[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)C[C@H]1C	ZINC000601019348	553339861	/nfs/dbraw/zinc/33/98/61/553339861.db2.gz	IIJPRRCXIKFZKO-ZTFGCOKTSA-N	1	0	373.453	1.415	20	30		FDEDRO
N#CCCN1CCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1	ZINC000601257231	553365170	/nfs/dbraw/zinc/36/51/70/553365170.db2.gz	KWDXCAWVJXRDEN-UHFFFAOYSA-N	1	0	355.486	1.892	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3ccccc3CC#N)C2)CC1	ZINC000601340209	553379774	/nfs/dbraw/zinc/37/97/74/553379774.db2.gz	MUJRPJQIYLVSQZ-QGZVFWFLSA-N	1	0	362.499	1.153	20	30		FDEDRO
N#CCc1ccccc1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1	ZINC000601342304	553379929	/nfs/dbraw/zinc/37/99/29/553379929.db2.gz	BOBHVDQVUFSORF-OLZOCXBDSA-N	1	0	361.389	1.900	20	30		FDEDRO
N#CCc1ccc(CS(=O)(=O)N2CCOc3ccc(C[NH3+])cc32)cc1	ZINC000601345132	553380887	/nfs/dbraw/zinc/38/08/87/553380887.db2.gz	MMTDCTOMQGQEQP-UHFFFAOYSA-N	1	0	357.435	1.940	20	30		FDEDRO
Cc1cc(F)cc(C#N)c1S(=O)(=O)NCCCC[N@@H+]1CCC[C@H]1CO	ZINC000601354546	553383551	/nfs/dbraw/zinc/38/35/51/553383551.db2.gz	RNTVJSVKUAKFSH-INIZCTEOSA-N	1	0	369.462	1.521	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1ccccc1CC#N	ZINC000601417551	553399644	/nfs/dbraw/zinc/39/96/44/553399644.db2.gz	USJDAQFMMSMCNZ-UHFFFAOYSA-N	1	0	352.504	1.257	20	30		FDEDRO
CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)OC)[C@H](C)C1	ZINC000601440691	553406661	/nfs/dbraw/zinc/40/66/61/553406661.db2.gz	UWJUMKCOYXNRCO-CYBMUJFWSA-N	1	0	365.455	1.450	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)N2CCCN(c3cc[nH+]cc3)CC2)cc1	ZINC000601517185	553426085	/nfs/dbraw/zinc/42/60/85/553426085.db2.gz	DIHIIXNGSGVZTD-UHFFFAOYSA-N	1	0	356.451	1.995	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2CCCN(c3cc[nH+]cc3)CC2)ccc1F	ZINC000601520555	553427090	/nfs/dbraw/zinc/42/70/90/553427090.db2.gz	MBMWVLHIFKHHMB-UHFFFAOYSA-N	1	0	360.414	1.993	20	30		FDEDRO
Cc1cccc(C[N@H+]2CC[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C2)c1	ZINC000601525102	553428894	/nfs/dbraw/zinc/42/88/94/553428894.db2.gz	XIUNAAUQJXDLSD-WBVHZDCISA-N	1	0	350.488	1.495	20	30		FDEDRO
N#CCCN1CCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1	ZINC000601553600	553434828	/nfs/dbraw/zinc/43/48/28/553434828.db2.gz	OYKJPWVUXZOHIA-UHFFFAOYSA-N	1	0	355.486	1.676	20	30		FDEDRO
Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NC3CCN(CC#N)CC3)C2)cc1	ZINC000601571477	553437467	/nfs/dbraw/zinc/43/74/67/553437467.db2.gz	MJJPTISORJRFRY-IBGZPJMESA-N	1	0	355.486	1.857	20	30		FDEDRO
N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)cc2)c1	ZINC000601573982	553438168	/nfs/dbraw/zinc/43/81/68/553438168.db2.gz	OSCBBQHTFHESIH-HOTGVXAUSA-N	1	0	362.389	1.862	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)c3csc(CO)n3)CC2)c1	ZINC000601660784	553455034	/nfs/dbraw/zinc/45/50/34/553455034.db2.gz	XEZGQMNIZOHRKA-UHFFFAOYSA-N	1	0	356.451	1.901	20	30		FDEDRO
C[N@H+](CCC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N)C1CCCCC1	ZINC000601742911	553467667	/nfs/dbraw/zinc/46/76/67/553467667.db2.gz	YEIXBLGBFPCNLG-UHFFFAOYSA-N	1	0	360.462	1.711	20	30		FDEDRO
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+]2C[C@@H]3COC[C@@H]3C2)CC1	ZINC000601973203	553497893	/nfs/dbraw/zinc/49/78/93/553497893.db2.gz	LPFNKOAVUVQZQG-ZIFCJYIRSA-N	1	0	372.444	1.113	20	30		FDEDRO
N#Cc1cc(F)cc(NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1	ZINC000602027565	553503657	/nfs/dbraw/zinc/50/36/57/553503657.db2.gz	RKGZMKGVQQFCBE-CYBMUJFWSA-N	1	0	374.416	1.253	20	30		FDEDRO
N#Cc1cc(F)cc(NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)c1	ZINC000602051136	553508352	/nfs/dbraw/zinc/50/83/52/553508352.db2.gz	ZPJKBSVPUDMUAR-UHFFFAOYSA-N	1	0	358.417	1.874	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)C(C)(C)C[NH+]1CCOCC1	ZINC000602057508	553509999	/nfs/dbraw/zinc/50/99/99/553509999.db2.gz	IRWUNFJVOMVSSE-UHFFFAOYSA-N	1	0	359.470	1.892	20	30		FDEDRO
Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3cccc(C#N)n3)C2)cc1	ZINC000602076771	553514414	/nfs/dbraw/zinc/51/44/14/553514414.db2.gz	UOBWAONMCGCDHH-QGZVFWFLSA-N	1	0	363.421	1.591	20	30		FDEDRO
CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CCN(CCC#N)CC2)cc1	ZINC000602077809	553514647	/nfs/dbraw/zinc/51/46/47/553514647.db2.gz	ILDFWQYZODDJKG-UHFFFAOYSA-N	1	0	371.485	1.525	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)CCO1	ZINC000602099734	553519119	/nfs/dbraw/zinc/51/91/19/553519119.db2.gz	YJPRPAPLYSKKKX-HBFSDRIKSA-N	1	0	355.438	1.276	20	30		FDEDRO
COCCOCC[N@H+](C)CCC(=O)N1CCC(C#N)(c2ccccn2)CC1	ZINC000602152315	553529707	/nfs/dbraw/zinc/52/97/07/553529707.db2.gz	YQNWQDRNFCGVGP-UHFFFAOYSA-N	1	0	374.485	1.450	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)c1C#N	ZINC000602152749	553530138	/nfs/dbraw/zinc/53/01/38/553530138.db2.gz	IAVCBWXXMBHYPA-UHFFFAOYSA-N	1	0	359.499	1.848	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]Cc3ccnc(N4CCSCC4)c3)cnc12	ZINC000602739419	553629877	/nfs/dbraw/zinc/62/98/77/553629877.db2.gz	DWBKHMLHLIEQEP-UHFFFAOYSA-N	1	0	365.466	1.839	20	30		FDEDRO
C[NH+](C)C[C@@]1(O)CCCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000602890336	553661793	/nfs/dbraw/zinc/66/17/93/553661793.db2.gz	HHQTUTKUAISPCM-SFHVURJKSA-N	1	0	364.877	1.929	20	30		FDEDRO
COC[C@@](C)(CO)[NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N	ZINC000602931704	553672301	/nfs/dbraw/zinc/67/23/01/553672301.db2.gz	JPHLTTBACHAMJP-CXAGYDPISA-N	1	0	351.472	1.864	20	30		FDEDRO
C[C@]12C[NH+](Cc3cc(C#N)ccc3Br)C[C@]1(C)C(=O)NC2=O	ZINC000602934378	553673395	/nfs/dbraw/zinc/67/33/95/553673395.db2.gz	GZRUNANHJQEXMK-HZPDHXFCSA-N	1	0	362.227	1.805	20	30		FDEDRO
C=C(C)[C@@H](CO)[NH+]1CCC(n2nnc(C(=O)OCC)c2C(F)F)CC1	ZINC000602968451	553683299	/nfs/dbraw/zinc/68/32/99/553683299.db2.gz	GRXFEGCROCUDOT-GFCCVEGCSA-N	1	0	358.389	1.966	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2cc(F)cc(C#N)c2)CC1	ZINC000603074525	553705790	/nfs/dbraw/zinc/70/57/90/553705790.db2.gz	SOWHNKJADCTVLA-MRXNPFEDSA-N	1	0	359.405	1.468	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(C(=O)Nc2ccnc(C#N)c2)CC1	ZINC000603124969	553713096	/nfs/dbraw/zinc/71/30/96/553713096.db2.gz	GYVABGXIRKEXBE-UHFFFAOYSA-N	1	0	361.446	1.544	20	30		FDEDRO
N#Cc1ccc(Cl)cc1NC(=O)Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1	ZINC000603162277	553718683	/nfs/dbraw/zinc/71/86/83/553718683.db2.gz	JLKJLQAPWXUJMV-LBPRGKRZSA-N	1	0	358.833	1.984	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)Cn2cc(COc3cccc(C#N)c3)nn2)CC1	ZINC000603180069	553723686	/nfs/dbraw/zinc/72/36/86/553723686.db2.gz	CDAJOYXPXZIVLL-UHFFFAOYSA-N	1	0	368.441	1.329	20	30		FDEDRO
COCC[NH2+]CCc1cn(Cc2cc(C#N)ccc2Br)nn1	ZINC000603240702	553740599	/nfs/dbraw/zinc/74/05/99/553740599.db2.gz	CJSQKJLDGQRERM-UHFFFAOYSA-N	1	0	364.247	1.739	20	30		FDEDRO
N#Cc1ccc(NC[C@H]2CCC[N@H+](CC3CC3)C2)c(CS(N)(=O)=O)c1	ZINC000603411841	553782002	/nfs/dbraw/zinc/78/20/02/553782002.db2.gz	OHXXOXDEOZXINN-MRXNPFEDSA-N	1	0	362.499	1.881	20	30		FDEDRO
CC(C)NS(=O)(=O)c1cccc(C(=O)NC2(C#N)CC[NH+](C)CC2)c1	ZINC000603886236	553824511	/nfs/dbraw/zinc/82/45/11/553824511.db2.gz	UMSUQPYBNVGJLC-UHFFFAOYSA-N	1	0	364.471	1.091	20	30		FDEDRO
CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000604475232	553880188	/nfs/dbraw/zinc/88/01/88/553880188.db2.gz	MEYBQEAWSAMDAZ-IEBWSBKVSA-N	1	0	359.470	1.825	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CC)C[NH+]2CCCC2)c1	ZINC000605374335	553979243	/nfs/dbraw/zinc/97/92/43/553979243.db2.gz	XFHJMEADLNIRSV-MRXNPFEDSA-N	1	0	365.499	1.755	20	30		FDEDRO
N#CCN1CCC(NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1	ZINC000609337379	554368556	/nfs/dbraw/zinc/36/85/56/554368556.db2.gz	ZSFQSOZUPJGSIZ-UHFFFAOYSA-N	1	0	355.486	1.722	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NC1CCN(CC#N)CC1	ZINC000609341595	554369595	/nfs/dbraw/zinc/36/95/95/554369595.db2.gz	VVSYULZMRWSOHP-UHFFFAOYSA-N	1	0	361.465	1.887	20	30		FDEDRO
COc1ccc(C2([NH2+]CC(=O)N(CCC#N)CCC#N)CCOCC2)cc1	ZINC000609358307	554372552	/nfs/dbraw/zinc/37/25/52/554372552.db2.gz	YWRXAPDLDRNPPN-UHFFFAOYSA-N	1	0	370.453	1.946	20	30		FDEDRO
CC[NH+]1CCN(CCNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC1	ZINC000609582956	554396949	/nfs/dbraw/zinc/39/69/49/554396949.db2.gz	DAPDAJAETFAJAQ-LJQANCHMSA-N	1	0	355.486	1.281	20	30		FDEDRO
C[NH+](C)CCOC1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1	ZINC000610211613	554473827	/nfs/dbraw/zinc/47/38/27/554473827.db2.gz	WASMJRZGJPKGMY-UHFFFAOYSA-N	1	0	371.890	1.943	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(Cc3nnc(-c4cccc(C#N)c4)o3)C2)CC1	ZINC000610369434	554496447	/nfs/dbraw/zinc/49/64/47/554496447.db2.gz	LQQNTFXNMKGLBS-SFHVURJKSA-N	1	0	366.469	1.820	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1C#N	ZINC000610374449	554496863	/nfs/dbraw/zinc/49/68/63/554496863.db2.gz	PDBZIWSVUBOJTQ-INIZCTEOSA-N	1	0	370.453	1.519	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC[N@@H+]1C	ZINC000610402035	554500075	/nfs/dbraw/zinc/50/00/75/554500075.db2.gz	PYYPGJJOFRGKKB-RHSMWYFYSA-N	1	0	356.474	1.704	20	30		FDEDRO
C[C@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000610511958	554520849	/nfs/dbraw/zinc/52/08/49/554520849.db2.gz	BGYPSKAVRBPZJR-AWEZNQCLSA-N	1	0	350.488	1.575	20	30		FDEDRO
C[C@@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)C1CC[NH+](C)CC1	ZINC000610684739	554549519	/nfs/dbraw/zinc/54/95/19/554549519.db2.gz	NGORSESHJWGKHA-LSDHHAIUSA-N	1	0	371.489	1.299	20	30		FDEDRO
CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000610722127	554554402	/nfs/dbraw/zinc/55/44/02/554554402.db2.gz	KGOXKKAMZBHIHU-CVEARBPZSA-N	1	0	371.489	1.443	20	30		FDEDRO
C[C@@H]([NH2+]C1CCN(CC#N)CC1)c1cccc(N2CCCS2(=O)=O)c1	ZINC000610812726	554565603	/nfs/dbraw/zinc/56/56/03/554565603.db2.gz	LDWRPDXSNHWDRE-OAHLLOKOSA-N	1	0	362.499	1.865	20	30		FDEDRO
N#Cc1nnc2ccccc2c1N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000611100914	554604904	/nfs/dbraw/zinc/60/49/04/554604904.db2.gz	SYKRDPVFSYQVNM-QGZVFWFLSA-N	1	0	350.426	1.420	20	30		FDEDRO
N#CCN1CCC([NH2+][C@H](C(N)=O)c2cccc(Br)c2)CC1	ZINC000611198257	554614477	/nfs/dbraw/zinc/61/44/77/554614477.db2.gz	SCIVKBDUJMICAD-AWEZNQCLSA-N	1	0	351.248	1.553	20	30		FDEDRO
CC[C@@H]([NH2+][C@H](C)C(=O)N(C)CCC#N)c1ccccc1OCC(=O)NC	ZINC000611379727	554629892	/nfs/dbraw/zinc/62/98/92/554629892.db2.gz	BZYKPTXSTKZFAP-GDBMZVCRSA-N	1	0	360.458	1.613	20	30		FDEDRO
COC[C@@H]1CCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000611430097	554632880	/nfs/dbraw/zinc/63/28/80/554632880.db2.gz	ZJAYUXQVMUYOLJ-OALUTQOASA-N	1	0	374.460	1.645	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1	ZINC000611874527	554694349	/nfs/dbraw/zinc/69/43/49/554694349.db2.gz	KLFZZPUFRWLKRN-IKGGRYGDSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1	ZINC000611888277	554697337	/nfs/dbraw/zinc/69/73/37/554697337.db2.gz	ZSFZOTBWKOGJFP-BQFCYCMXSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1	ZINC000612037724	554723425	/nfs/dbraw/zinc/72/34/25/554723425.db2.gz	QUGJKAJADDNTCA-UHFFFAOYSA-N	1	0	365.518	1.856	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1	ZINC000612233056	554752563	/nfs/dbraw/zinc/75/25/63/554752563.db2.gz	ZVQVSVXGRXWMCW-UHFFFAOYSA-N	1	0	356.470	1.610	20	30		FDEDRO
C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CCC[C@](C)(C#N)C2)c1	ZINC000612270773	554756075	/nfs/dbraw/zinc/75/60/75/554756075.db2.gz	RPJPKNKDDDQZQP-LJQANCHMSA-N	1	0	358.442	1.718	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000612591207	554811099	/nfs/dbraw/zinc/81/10/99/554811099.db2.gz	HYIUAOAKTBZTBA-KBAYOESNSA-N	1	0	363.502	1.607	20	30		FDEDRO
CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1	ZINC000613164476	554894911	/nfs/dbraw/zinc/89/49/11/554894911.db2.gz	PQOGHEGGNJCOKU-IUODEOHRSA-N	1	0	353.430	1.909	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1CCN(c2cc[nH+]cc2)CC1	ZINC000613334483	554914209	/nfs/dbraw/zinc/91/42/09/554914209.db2.gz	VGQJNVUQNVEGFC-UHFFFAOYSA-N	1	0	358.423	1.473	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCC[N@H+]2CC)c1	ZINC000614601746	555078186	/nfs/dbraw/zinc/07/81/86/555078186.db2.gz	ANJFGIILPODWDR-OAHLLOKOSA-N	1	0	351.472	1.365	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1	ZINC000615104862	555161624	/nfs/dbraw/zinc/16/16/24/555161624.db2.gz	UJCDXYBOHPSBCH-OAHLLOKOSA-N	1	0	360.458	1.964	20	30		FDEDRO
C[NH+]1CCN(C[C@H](NC(=O)N2CC[C@@](F)(C#N)C2)c2ccccc2)CC1	ZINC000615542864	555210263	/nfs/dbraw/zinc/21/02/63/555210263.db2.gz	DFVSYOOQCGPKED-PKOBYXMFSA-N	1	0	359.449	1.622	20	30		FDEDRO
C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)cc1	ZINC000615633296	555223385	/nfs/dbraw/zinc/22/33/85/555223385.db2.gz	WLDHDHLEFZIYPC-SFHVURJKSA-N	1	0	362.405	1.420	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC[C@@H]21	ZINC000616425589	555303184	/nfs/dbraw/zinc/30/31/84/555303184.db2.gz	XLZLCHDVDNPUBZ-PBHICJAKSA-N	1	0	351.447	1.943	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(Oc3cnccn3)CC2)cc1	ZINC000618765899	555675585	/nfs/dbraw/zinc/67/55/85/555675585.db2.gz	VHAJUKSSKRIILL-QGZVFWFLSA-N	1	0	368.437	1.826	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCN(CCN2CCOCC2)CC1	ZINC000618801718	555678786	/nfs/dbraw/zinc/67/87/86/555678786.db2.gz	BVAQVQJHYDGVSC-NRFANRHFSA-N	1	0	354.498	1.932	20	30		FDEDRO
CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1cccc(CC#N)c1	ZINC000619484656	555786031	/nfs/dbraw/zinc/78/60/31/555786031.db2.gz	RVHWDAWUNMIHGN-UHFFFAOYSA-N	1	0	350.488	1.011	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[N@@H+](CCOCCO)C1CCC1	ZINC000625528776	556842373	/nfs/dbraw/zinc/84/23/73/556842373.db2.gz	KPOSMDAEZUPLGM-UHFFFAOYSA-N	1	0	356.422	1.149	20	30		FDEDRO
C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C[NH2+]1	ZINC000626888275	557215027	/nfs/dbraw/zinc/21/50/27/557215027.db2.gz	KLZZABODORLSNV-DNVCBOLYSA-N	1	0	362.433	1.677	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000627120304	557280459	/nfs/dbraw/zinc/28/04/59/557280459.db2.gz	ATALEQFDLNVQJM-CVEARBPZSA-N	1	0	350.507	1.879	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)CC1	ZINC000630941836	557961627	/nfs/dbraw/zinc/96/16/27/557961627.db2.gz	GVWWRUDIXGYRSM-KRWDZBQOSA-N	1	0	370.453	1.284	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1nc(-c2cnccn2)no1)C(C)C	ZINC000631323613	557997967	/nfs/dbraw/zinc/99/79/67/557997967.db2.gz	FSSIJFAPNXBRAW-HNNXBMFYSA-N	1	0	356.430	1.955	20	30		FDEDRO
C=CCN(C(=O)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)[C@H](C)COC	ZINC000635209467	558615243	/nfs/dbraw/zinc/61/52/43/558615243.db2.gz	QXSJTFUUNJTRFL-CQSZACIVSA-N	1	0	363.462	1.138	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1C[C@@H](O)CN1c1ccncn1)C(C)C	ZINC000635558495	558724428	/nfs/dbraw/zinc/72/44/28/558724428.db2.gz	ABMZQTIHVYRALG-KZNAEPCWSA-N	1	0	373.501	1.231	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1	ZINC000271861151	674389906	/nfs/dbraw/zinc/38/99/06/674389906.db2.gz	UFVSWNNKFLTILI-HUUCEWRRSA-N	1	0	365.499	1.834	20	30		FDEDRO
CC(C)[C@@H]1C(=O)NCCN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000330329762	568242699	/nfs/dbraw/zinc/24/26/99/568242699.db2.gz	WQQINPXPMPOXKF-BZUAXINKSA-N	1	0	352.479	1.575	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000637184530	568538220	/nfs/dbraw/zinc/53/82/20/568538220.db2.gz	PEVBAOXNJKWJNK-HKUYNNGSSA-N	1	0	373.497	1.532	20	30		FDEDRO
C[NH+](C)CCOc1ccc(C=NNCc2ccc(-c3nn[nH]n3)cc2)cc1	ZINC000821587008	607254739	/nfs/dbraw/zinc/25/47/39/607254739.db2.gz	BIBZOVDOOKPCSB-UHFFFAOYSA-N	1	0	365.441	1.931	20	30		FDEDRO
C#CC[N@H+](C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)[C@@H]1CCc2ccccc21	ZINC000819701439	607442399	/nfs/dbraw/zinc/44/23/99/607442399.db2.gz	HOEHXRLUBSKGKS-KBXCAEBGSA-N	1	0	374.452	1.728	20	30		FDEDRO
COc1cc(C#N)ccc1C[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1	ZINC000826176811	608375115	/nfs/dbraw/zinc/37/51/15/608375115.db2.gz	FIDWEAWZLRKHJL-UHFFFAOYSA-N	1	0	367.417	1.117	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1cccc(C#N)c1	ZINC000824565134	608487156	/nfs/dbraw/zinc/48/71/56/608487156.db2.gz	ZVKPNAUAHQCDBE-CYBMUJFWSA-N	1	0	361.409	1.705	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCCCCCS(C)(=O)=O)cc1OC	ZINC000274803635	674596435	/nfs/dbraw/zinc/59/64/35/674596435.db2.gz	TVKHKXJDEODRFG-UHFFFAOYSA-N	1	0	371.503	1.366	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CC[N@H+](C)C2)cc1	ZINC000274881636	674597095	/nfs/dbraw/zinc/59/70/95/674597095.db2.gz	INJKGQFODLXMFB-AWEZNQCLSA-N	1	0	366.487	1.566	20	30		FDEDRO
C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1	ZINC000275619104	674625950	/nfs/dbraw/zinc/62/59/50/674625950.db2.gz	AFCUKOCSWHYEAU-LBPRGKRZSA-N	1	0	366.849	1.837	20	30		FDEDRO
C=CCN(C(=O)Nc1ccccc1CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1	ZINC000275709870	674629209	/nfs/dbraw/zinc/62/92/09/674629209.db2.gz	UNZBRGLDUHIWAA-INIZCTEOSA-N	1	0	365.499	1.998	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2sc(C)nc2C)CC1	ZINC000286412404	675895565	/nfs/dbraw/zinc/89/55/65/675895565.db2.gz	FHBPKBNQKJUKTN-UHFFFAOYSA-N	1	0	350.488	1.533	20	30		FDEDRO
C[C@@H]1C[C@@H](C)C[NH+](CCCCNS(=O)(=O)c2cccnc2C#N)C1	ZINC000277094034	674854692	/nfs/dbraw/zinc/85/46/92/674854692.db2.gz	VWEPDXGGHRYIRW-HUUCEWRRSA-N	1	0	350.488	1.990	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2ncnn2CC(F)F)CC1	ZINC000278359853	675126059	/nfs/dbraw/zinc/12/60/59/675126059.db2.gz	AUWTWYHGHHZTNC-UHFFFAOYSA-N	1	0	356.421	1.725	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)NC2CC[NH+](CCC)CC2)c1	ZINC000053371075	671187993	/nfs/dbraw/zinc/18/79/93/671187993.db2.gz	CUQMXNUKSCOPCY-UHFFFAOYSA-N	1	0	363.483	1.202	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)CN2CCC[C@](F)(CO)C2)c(OC)c1	ZINC000286715337	675900420	/nfs/dbraw/zinc/90/04/20/675900420.db2.gz	CCICBNUURARGBN-VQIMIIECSA-N	1	0	353.434	1.960	20	30		FDEDRO
[NH2+]=C(NCCS(=O)(=O)c1ccccc1)N[C@@H]1CCOc2ccccc21	ZINC000083032130	671470820	/nfs/dbraw/zinc/47/08/20/671470820.db2.gz	WXEJRMJNGHUOPU-MRXNPFEDSA-N	1	0	359.451	1.888	20	30		FDEDRO
CC(C)[NH+]1CCN(C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)CC1	ZINC000287078952	675912232	/nfs/dbraw/zinc/91/22/32/675912232.db2.gz	IIVUFOSKEFADJQ-CQSZACIVSA-N	1	0	364.471	1.930	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NCC[N@@H+](C)[C@H](C)CC)ccc1F	ZINC000104388894	671596257	/nfs/dbraw/zinc/59/62/57/671596257.db2.gz	KSFOWKZUUGWOPI-CYBMUJFWSA-N	1	0	371.478	1.750	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1CC(N)=NOCc1cccc(S(=O)(=O)N(C)C)c1	ZINC000106437908	671607172	/nfs/dbraw/zinc/60/71/72/671607172.db2.gz	ODKVRJVAHMCLPG-AWEZNQCLSA-N	1	0	368.503	1.600	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@H+](CC(C)C)C[C@H](O)c1ccc(F)cc1	ZINC000118855291	671667946	/nfs/dbraw/zinc/66/79/46/671667946.db2.gz	ZCPBNJSLEBCUMQ-INIZCTEOSA-N	1	0	351.422	1.829	20	30		FDEDRO
C[NH+]=C(NCCNS(=O)(=O)c1ccc(C)s1)NCc1ccco1	ZINC000151403198	671864164	/nfs/dbraw/zinc/86/41/64/671864164.db2.gz	LZXIZIVSTOOEAZ-UHFFFAOYSA-N	1	0	356.473	1.293	20	30		FDEDRO
C=CCn1c(C)nn(CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1=S	ZINC000152577783	671885584	/nfs/dbraw/zinc/88/55/84/671885584.db2.gz	LGXFAXFEEMKMCV-KRWDZBQOSA-N	1	0	364.563	1.968	20	30		FDEDRO
C[NH+]=C(NCc1cccc(CS(C)(=O)=O)c1)N1CC[C@@]2(CCOC2)C1	ZINC000158067335	671976761	/nfs/dbraw/zinc/97/67/61/671976761.db2.gz	NDTWIUQABCKYJU-GOSISDBHSA-N	1	0	365.499	1.419	20	30		FDEDRO
CCc1cnc(CCNC(=[NH+]C)N2CCS(=O)(=O)C(C)(C)C2)s1	ZINC000158608236	671981449	/nfs/dbraw/zinc/98/14/49/671981449.db2.gz	YZVCGWKMDBMFEN-UHFFFAOYSA-N	1	0	358.533	1.332	20	30		FDEDRO
C[NH+]=C(NCc1ccnc(C)n1)N[C@@H]1CCN(c2ncccc2Cl)C1	ZINC000158969141	671985805	/nfs/dbraw/zinc/98/58/05/671985805.db2.gz	QWJYRBOQKDTEGL-CQSZACIVSA-N	1	0	359.865	1.777	20	30		FDEDRO
CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000163821660	672026252	/nfs/dbraw/zinc/02/62/52/672026252.db2.gz	BJGNPWPZSDTYPO-UHFFFAOYSA-N	1	0	350.394	1.515	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(F)c(S(=O)(=O)NC)c2)CC1	ZINC000288310773	675991242	/nfs/dbraw/zinc/99/12/42/675991242.db2.gz	LZEJFJUPSCHLON-UHFFFAOYSA-N	1	0	353.419	1.018	20	30		FDEDRO
CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CCN(c2ccc(Cl)cc2)C1	ZINC000185552315	672261106	/nfs/dbraw/zinc/26/11/06/672261106.db2.gz	PNXLQWDOROVKGH-OAHLLOKOSA-N	1	0	365.909	1.951	20	30		FDEDRO
[NH2+]=C(NCCN1CCCOCC1)NCc1ccc(OC(F)(F)F)cc1	ZINC000187856151	672287275	/nfs/dbraw/zinc/28/72/75/672287275.db2.gz	HGYZSEFQJDMTNQ-UHFFFAOYSA-N	1	0	360.380	1.712	20	30		FDEDRO
C[C@H](CNC(=O)C#Cc1ccc(C(F)(F)F)cc1)N1CC[NH+](C)CC1	ZINC000191729734	672347095	/nfs/dbraw/zinc/34/70/95/672347095.db2.gz	YRFPWNIHEDQWQK-CQSZACIVSA-N	1	0	353.388	1.809	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cccc(-n3nnnc3SC)c2)CC1	ZINC000195098133	672395926	/nfs/dbraw/zinc/39/59/26/672395926.db2.gz	NUSPIGRRTUYJID-UHFFFAOYSA-N	1	0	356.455	1.668	20	30		FDEDRO
CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=[NH2+])NC[C@H]1CCCO1	ZINC000195523196	672408227	/nfs/dbraw/zinc/40/82/27/672408227.db2.gz	GEKMNLNAQMBKSB-CQSZACIVSA-N	1	0	368.503	1.347	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCC2([NH3+])CCCCCC2)cc1	ZINC000237840436	672429031	/nfs/dbraw/zinc/42/90/31/672429031.db2.gz	WJCCZTNJCJGQCB-UHFFFAOYSA-N	1	0	365.499	1.932	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)N(C)CC(=O)NC(C)(C)C	ZINC000261738549	672662000	/nfs/dbraw/zinc/66/20/00/672662000.db2.gz	MGMCYQVXKWRHAG-NUEKZKHPSA-N	1	0	350.507	1.756	20	30		FDEDRO
C[NH+]=C(NCCS(C)(=O)=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1	ZINC000261761440	672666863	/nfs/dbraw/zinc/66/68/63/672666863.db2.gz	OHEDKVJXAOOYNL-CYBMUJFWSA-N	1	0	358.895	1.128	20	30		FDEDRO
CC[S@](=O)[C@@H]1CCC[C@H](NC(NCc2nnc3n2CCCC3)=[NH+]C)C1	ZINC000261770002	672669163	/nfs/dbraw/zinc/66/91/63/672669163.db2.gz	PFBXJBHXGZTFFC-ODZUORAKSA-N	1	0	366.535	1.359	20	30		FDEDRO
CCc1nsc(N2CCN(C(NCc3cnc(C)s3)=[NH+]C)CC2)n1	ZINC000261851284	672683038	/nfs/dbraw/zinc/68/30/38/672683038.db2.gz	YADVNENJUUZDEN-UHFFFAOYSA-N	1	0	365.532	1.763	20	30		FDEDRO
CC[NH+]=C(NCCN1CCSCC1)N1CC[C@H](C)[C@@H](n2ccnc2)C1	ZINC000261944306	672698806	/nfs/dbraw/zinc/69/88/06/672698806.db2.gz	FHWFFVRZTYVBTK-IRXDYDNUSA-N	1	0	364.563	1.780	20	30		FDEDRO
C[NH+]=C(NC[C@H](C)Oc1ccc(F)cc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261946094	672699363	/nfs/dbraw/zinc/69/93/63/672699363.db2.gz	FZLOBROVQKFCAG-ZDUSSCGKSA-N	1	0	371.478	1.677	20	30		FDEDRO
C[NH+]=C(NC[C@@]1(N2CCOCC2)CCSC1)N(C)Cc1cccn1C	ZINC000261952849	672701083	/nfs/dbraw/zinc/70/10/83/672701083.db2.gz	HWXZAONOYBLAAT-SFHVURJKSA-N	1	0	365.547	1.240	20	30		FDEDRO
CC[NH+]=C(NCCC(=O)NC1CCCCC1)N1CC[C@@]2(CCOC2)C1	ZINC000261959867	672702464	/nfs/dbraw/zinc/70/24/64/672702464.db2.gz	JVMDRRRICINKID-LJQANCHMSA-N	1	0	350.507	1.903	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](C)[C@H](n2ccnc2)C1	ZINC000261959929	672702551	/nfs/dbraw/zinc/70/25/51/672702551.db2.gz	JYPLINARNRHVOE-HRCADAONSA-N	1	0	367.519	1.166	20	30		FDEDRO
C[NH+]=C(NCC1(SC)CCOCC1)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000261961172	672702927	/nfs/dbraw/zinc/70/29/27/672702927.db2.gz	PIOHTBCYOYDPJA-UHFFFAOYSA-N	1	0	370.563	1.805	20	30		FDEDRO
CCCOc1ncccc1CNC(=[NH+]C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261967304	672703740	/nfs/dbraw/zinc/70/37/40/672703740.db2.gz	LTZUXQJNAUPTQW-UHFFFAOYSA-N	1	0	368.503	1.455	20	30		FDEDRO
C[NH+]=C(NCCOc1cc(C)cc(C)c1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261966642	672703921	/nfs/dbraw/zinc/70/39/21/672703921.db2.gz	LQFXFIWZZMYXTC-UHFFFAOYSA-N	1	0	367.515	1.767	20	30		FDEDRO
C[NH+]=C(NCCSc1ccccc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261998925	672709281	/nfs/dbraw/zinc/70/92/81/672709281.db2.gz	TUGZEOVCLWMOBF-UHFFFAOYSA-N	1	0	355.529	1.863	20	30		FDEDRO
CC(C)CNC(=[NH2+])NCc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000262014292	672711761	/nfs/dbraw/zinc/71/17/61/672711761.db2.gz	VIDRLWGYEYXPHS-UHFFFAOYSA-N	1	0	352.504	1.922	20	30		FDEDRO
CC[C@@H]1CN(C(NCc2nnc(C)n2C)=[NH+]C[C@@H]2CCCO2)CCS1	ZINC000262015078	672712336	/nfs/dbraw/zinc/71/23/36/672712336.db2.gz	XNFCAQGJEXBYSE-LSDHHAIUSA-N	1	0	366.535	1.576	20	30		FDEDRO
CC[NH+]=C(NC[C@H]1CCCN1S(C)(=O)=O)N1CCSC(C)(C)C1	ZINC000262043018	672717104	/nfs/dbraw/zinc/71/71/04/672717104.db2.gz	YNINSIOUKRHIGN-CYBMUJFWSA-N	1	0	362.565	1.203	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)CC(=O)Nc1cc(Cl)ccc1C#N	ZINC000288773345	676052810	/nfs/dbraw/zinc/05/28/10/676052810.db2.gz	BELATUHNBQKEGO-UHFFFAOYSA-N	1	0	365.909	1.965	20	30		FDEDRO
C[NH+]=C(NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)N1CCCC1	ZINC000262191709	672744116	/nfs/dbraw/zinc/74/41/16/672744116.db2.gz	YSBPSSJBPRVXSA-UHFFFAOYSA-N	1	0	363.893	1.660	20	30		FDEDRO
CCN1CCN(C(N[C@H](C)c2cccs2)=[NH+]CC(=O)N(C)C)CC1=O	ZINC000262293357	672763504	/nfs/dbraw/zinc/76/35/04/672763504.db2.gz	LTGSUFKGPUNAHZ-CYBMUJFWSA-N	1	0	365.503	1.007	20	30		FDEDRO
Cc1nc(C)c(CNC(NCC(=O)N(C)C)=[NH+]C2CCOCC2)s1	ZINC000262297627	672764238	/nfs/dbraw/zinc/76/42/38/672764238.db2.gz	MUCRRAQWPNRAMT-UHFFFAOYSA-N	1	0	353.492	1.062	20	30		FDEDRO
[NH2+]=C(NC[C@H]1CCCS(=O)(=O)C1)Nc1ccc2c(c1)OCCCO2	ZINC000262311298	672767106	/nfs/dbraw/zinc/76/71/06/672767106.db2.gz	NVDPEZHJIWBKPS-GFCCVEGCSA-N	1	0	353.444	1.399	20	30		FDEDRO
C[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CCN(c2cc(Cl)ccc2OC)C1	ZINC000262323573	672769901	/nfs/dbraw/zinc/76/99/01/672769901.db2.gz	SNJYAXKKIBWMAI-CYBMUJFWSA-N	1	0	367.881	1.181	20	30		FDEDRO
C[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000262336428	672772907	/nfs/dbraw/zinc/77/29/07/672772907.db2.gz	WCUIPNFRMUFJJE-GDBMZVCRSA-N	1	0	369.872	1.478	20	30		FDEDRO
C[C@H](NC(=[NH2+])NC[C@@H]1CC[C@@H](C(N)=O)O1)c1ccc(Cl)cc1Cl	ZINC000262350543	672774828	/nfs/dbraw/zinc/77/48/28/672774828.db2.gz	FBLDXJVWOUGBOR-FWDPORAESA-N	1	0	359.257	1.992	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(=[NH+]C2CC2)N2CCC[C@@]3(CCCOC3)C2)C1	ZINC000262370383	672778064	/nfs/dbraw/zinc/77/80/64/672778064.db2.gz	IKKAEDFZGRXWSD-CRAIPNDOSA-N	1	0	369.531	1.422	20	30		FDEDRO
Cn1nccc1CNC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CCCCC1	ZINC000262410705	672785250	/nfs/dbraw/zinc/78/52/50/672785250.db2.gz	PHHWSTWQQFXQNF-AWEZNQCLSA-N	1	0	367.519	1.223	20	30		FDEDRO
CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCOC2(CCC2)C1	ZINC000262430284	672788179	/nfs/dbraw/zinc/78/81/79/672788179.db2.gz	SKDSJQXCOAALFK-LSDHHAIUSA-N	1	0	357.520	1.468	20	30		FDEDRO
CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCS[C@@H](C(C)C)C1	ZINC000262438969	672789693	/nfs/dbraw/zinc/78/96/93/672789693.db2.gz	UHDXQKSFUSXSMH-LSDHHAIUSA-N	1	0	361.577	1.850	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCO[C@H](C(C)(C)C)C1	ZINC000262471395	672795122	/nfs/dbraw/zinc/79/51/22/672795122.db2.gz	ZATJLFIAGIWYHZ-ZNMIVQPWSA-N	1	0	359.536	1.570	20	30		FDEDRO
C[C@H]1C[NH+]=C(NCCNS(=O)(=O)c2cccc(Cl)c2Cl)N1	ZINC000262474280	672795530	/nfs/dbraw/zinc/79/55/30/672795530.db2.gz	BQQVTNGPTLLLCG-QMMMGPOBSA-N	1	0	351.259	1.209	20	30		FDEDRO
[NH2+]=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)NC1CCCCC1	ZINC000262530846	672803827	/nfs/dbraw/zinc/80/38/27/672803827.db2.gz	NKZBNNXLLSLWRW-UHFFFAOYSA-N	1	0	352.451	1.488	20	30		FDEDRO
C[NH+]=C(NCc1ccc(F)cc1C(F)(F)F)NC[C@H]1CN(C)CCO1	ZINC000262744040	672840150	/nfs/dbraw/zinc/84/01/50/672840150.db2.gz	JINDHAMBZSRVLD-ZDUSSCGKSA-N	1	0	362.371	1.840	20	30		FDEDRO
C[NH+]=C(NCCc1nc(C(F)(F)F)cs1)N[C@H]1CCC(=O)N(C)C1	ZINC000262745945	672840542	/nfs/dbraw/zinc/84/05/42/672840542.db2.gz	AKDZCRDETCAEFK-VIFPVBQESA-N	1	0	363.409	1.490	20	30		FDEDRO
C[NH+]=C(NCC1(C(=O)N(C)C)CCCC1)NC[C@]1(C)CCCC[C@H]1O	ZINC000262747620	672840954	/nfs/dbraw/zinc/84/09/54/672840954.db2.gz	ASVLHCJONWPHNY-QAPCUYQASA-N	1	0	352.523	1.741	20	30		FDEDRO
C[S@@](=O)C1(CNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)CCC1	ZINC000262799492	672850834	/nfs/dbraw/zinc/85/08/34/672850834.db2.gz	MFUGVXYMLMIULG-XMMPIXPASA-N	1	0	352.479	1.564	20	30		FDEDRO
CS(=O)(=O)CC1(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)CCC1	ZINC000263052916	672859804	/nfs/dbraw/zinc/85/98/04/672859804.db2.gz	DQBMUIJUGZNDIV-AWEZNQCLSA-N	1	0	351.472	1.629	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](O)c2ccccc2F)CC1	ZINC000264084680	672900689	/nfs/dbraw/zinc/90/06/89/672900689.db2.gz	IVDMKHLEBDGUET-HNNXBMFYSA-N	1	0	352.410	1.384	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1cccc(Br)c1	ZINC000264130160	672902393	/nfs/dbraw/zinc/90/23/93/672902393.db2.gz	TVMNUAFKXGEUFH-UHFFFAOYSA-N	1	0	355.280	1.576	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C#N)cc1Cl	ZINC000288946233	676075697	/nfs/dbraw/zinc/07/56/97/676075697.db2.gz	VEOAXRXLMAYOIB-UHFFFAOYSA-N	1	0	365.865	1.150	20	30		FDEDRO
C=CCCCN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1	ZINC000265474639	672933483	/nfs/dbraw/zinc/93/34/83/672933483.db2.gz	QMAYBKBTBFKFNB-UHFFFAOYSA-N	1	0	365.455	1.290	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1	ZINC000267234728	673275192	/nfs/dbraw/zinc/27/51/92/673275192.db2.gz	AUVIKCUUUGKAJY-QGZVFWFLSA-N	1	0	362.455	1.059	20	30		FDEDRO
C#CCCOc1ccc(CN2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1	ZINC000289531006	676149196	/nfs/dbraw/zinc/14/91/96/676149196.db2.gz	PXZDCIRRGOUGNZ-SFHVURJKSA-N	1	0	350.484	1.945	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2cncc(C#N)c2)C[C@H]1[NH+]1CCCC1	ZINC000289605775	676157502	/nfs/dbraw/zinc/15/75/02/676157502.db2.gz	YAXZCAWOOSZBLI-CABCVRRESA-N	1	0	352.485	1.154	20	30		FDEDRO
CN(C)S(=O)(=O)CCNC(=[NH2+])Nc1ccccc1OC(F)(F)F	ZINC000290674084	676223508	/nfs/dbraw/zinc/22/35/08/676223508.db2.gz	PGYMERQJRIKBIK-UHFFFAOYSA-N	1	0	354.354	1.203	20	30		FDEDRO
C=C(C)CS(=O)(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000280586323	675437913	/nfs/dbraw/zinc/43/79/13/675437913.db2.gz	NIQJAMDFSILSLV-UHFFFAOYSA-N	1	0	351.516	1.820	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000282332579	675623718	/nfs/dbraw/zinc/62/37/18/675623718.db2.gz	QBMKBIYLPVVQHH-JFIYKMOQSA-N	1	0	364.515	1.965	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCOC1)C(C)C	ZINC000284012475	675667793	/nfs/dbraw/zinc/66/77/93/675667793.db2.gz	KQPHHLPZRKNHEL-IAGOWNOFSA-N	1	0	351.491	1.296	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CCO[C@@H](C)C1)C(C)C	ZINC000284084836	675671465	/nfs/dbraw/zinc/67/14/65/675671465.db2.gz	OSDMLAVSYHCNMA-YESZJQIVSA-N	1	0	351.491	1.485	20	30		FDEDRO
CN(C[C@@H]1CCC[N@H+](CCOc2ccccc2C#N)C1)S(C)(=O)=O	ZINC000285627507	675837713	/nfs/dbraw/zinc/83/77/13/675837713.db2.gz	NSULNQHQWVFBSL-HNNXBMFYSA-N	1	0	351.472	1.540	20	30		FDEDRO
CN(C[C@H]1CCC[N@H+](CCOc2ccccc2C#N)C1)S(C)(=O)=O	ZINC000285627510	675837808	/nfs/dbraw/zinc/83/78/08/675837808.db2.gz	NSULNQHQWVFBSL-OAHLLOKOSA-N	1	0	351.472	1.540	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)N1CCN(c2snc(C)c2C#N)CC1	ZINC000290818515	676235056	/nfs/dbraw/zinc/23/50/56/676235056.db2.gz	ACWVVGWHIRQRKO-UHFFFAOYSA-N	1	0	364.519	1.887	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNS(=O)(=O)CC(C)(C)CC#N)ccn2)CC1	ZINC000295208532	676402198	/nfs/dbraw/zinc/40/21/98/676402198.db2.gz	OSJSGVPBNNDGMU-UHFFFAOYSA-N	1	0	365.503	1.193	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(C)C	ZINC000298481098	676467688	/nfs/dbraw/zinc/46/76/88/676467688.db2.gz	HGMKKBAQPXTDES-MRXNPFEDSA-N	1	0	368.503	1.101	20	30		FDEDRO
COCc1ccccc1NC(=[NH2+])NC[C@@]1(N2CCOCC2)CCSC1	ZINC000305078827	676544738	/nfs/dbraw/zinc/54/47/38/676544738.db2.gz	WJSMDGUPWYWXPQ-SFHVURJKSA-N	1	0	364.515	1.768	20	30		FDEDRO
CCN1CCCC[C@@H]1CNC(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21	ZINC000328609502	676599833	/nfs/dbraw/zinc/59/98/33/676599833.db2.gz	MVHJRKAZSVGFSY-BZUAXINKSA-N	1	0	357.520	1.816	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)NCC2CCN(S(C)(=O)=O)CC2)CC1	ZINC000328659383	676600920	/nfs/dbraw/zinc/60/09/20/676600920.db2.gz	SPYXQQIFVBVUQO-UHFFFAOYSA-N	1	0	360.524	1.036	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)N2CCN(c3nc(C)c(C)s3)CC2)C1	ZINC000328703054	676603101	/nfs/dbraw/zinc/60/31/01/676603101.db2.gz	XQBWUAWPYQYSFP-HNNXBMFYSA-N	1	0	367.519	1.517	20	30		FDEDRO
COCC(=O)N1CCN(C(=O)NCC2([NH+](C)C)CCCCCC2)CC1	ZINC000328777242	676606332	/nfs/dbraw/zinc/60/63/32/676606332.db2.gz	CYVHCSIHYSCPNK-UHFFFAOYSA-N	1	0	354.495	1.346	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(Cc2cscn2)CC1)C[NH+]1CCCC1	ZINC000328847156	676609391	/nfs/dbraw/zinc/60/93/91/676609391.db2.gz	XXWBCPYKSUSILD-HNNXBMFYSA-N	1	0	351.520	1.907	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)C1	ZINC000328875905	676610467	/nfs/dbraw/zinc/61/04/67/676610467.db2.gz	JYMAEDKRAIUPQQ-BFYDXBDKSA-N	1	0	352.479	1.744	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1	ZINC000328949972	676613507	/nfs/dbraw/zinc/61/35/07/676613507.db2.gz	LCFFDQWXMVOVDY-ARFHVFGLSA-N	1	0	352.479	1.842	20	30		FDEDRO
C[C@@H]1CN(Cc2csc(NC(=O)N3CC[C@@H]([NH+](C)C)C3)n2)C[C@@H](C)O1	ZINC000328955459	676613813	/nfs/dbraw/zinc/61/38/13/676613813.db2.gz	YYSHBGAQFMOUSS-UMVBOHGHSA-N	1	0	367.519	1.934	20	30		FDEDRO
C[C@@H]1CCC[C@](CNC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)([NH+](C)C)C1	ZINC000329074890	676618558	/nfs/dbraw/zinc/61/85/58/676618558.db2.gz	BPJDIPKQQACESF-BSXFFOKHSA-N	1	0	351.495	1.713	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)NC(=O)C3CCCC3)C2)CC1	ZINC000329137334	676622132	/nfs/dbraw/zinc/62/21/32/676622132.db2.gz	DFBAHNFTRGSENP-NVXWUHKLSA-N	1	0	350.507	1.760	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C[N@@H+]1C1CC1	ZINC000329267851	676629763	/nfs/dbraw/zinc/62/97/63/676629763.db2.gz	HWWDCPDMWPZUPM-MCIONIFRSA-N	1	0	370.519	1.072	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O	ZINC000329355826	676634945	/nfs/dbraw/zinc/63/49/45/676634945.db2.gz	GTPPVHCPYYHLFY-CVEARBPZSA-N	1	0	364.877	1.895	20	30		FDEDRO
CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1nc(CN2CCOCC2)cs1	ZINC000329527816	676642672	/nfs/dbraw/zinc/64/26/72/676642672.db2.gz	HYGSFELPKJJXAK-HNNXBMFYSA-N	1	0	367.519	1.793	20	30		FDEDRO
CC(C)[C@H](CNC(=O)N1CC[S@](=O)[C@H](C)[C@@H]1C)N1CC[NH+](C)CC1	ZINC000329564674	676644301	/nfs/dbraw/zinc/64/43/01/676644301.db2.gz	HBGOQTIOMFJTOQ-QQGNKYKXSA-N	1	0	358.552	1.014	20	30		FDEDRO
C[N@H+](CC(=O)NCc1cnc(N2CCOCC2)c(F)c1)[C@H]1CCSC1	ZINC000329603228	676645884	/nfs/dbraw/zinc/64/58/84/676645884.db2.gz	GEVPUBFFBXTIPE-AWEZNQCLSA-N	1	0	368.478	1.951	20	30		FDEDRO
CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)C1	ZINC000329624224	676646758	/nfs/dbraw/zinc/64/67/58/676646758.db2.gz	HQLUHTLBGOOKGW-RRFJBIMHSA-N	1	0	359.536	1.824	20	30		FDEDRO
C[NH+](C)C1CN(C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)C1	ZINC000329815864	676658743	/nfs/dbraw/zinc/65/87/43/676658743.db2.gz	FFQSVTAHINEDIK-UHFFFAOYSA-N	1	0	361.837	1.984	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1	ZINC000329816066	676658786	/nfs/dbraw/zinc/65/87/86/676658786.db2.gz	VSKYSCKXSIEMMU-KLZNWCGWSA-N	1	0	352.523	1.861	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2C[C@H](F)CN2c2cccnn2)C1	ZINC000329908461	676663731	/nfs/dbraw/zinc/66/37/31/676663731.db2.gz	LSTCNWPSPPFLAZ-ZNMIVQPWSA-N	1	0	350.442	1.381	20	30		FDEDRO
C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCCCS3(=O)=O)CC2)CC1	ZINC000330019256	676668722	/nfs/dbraw/zinc/66/87/22/676668722.db2.gz	UUOMDMXPCNXOOY-INIZCTEOSA-N	1	0	357.520	1.469	20	30		FDEDRO
C[NH+](C)[C@@]1(CNC(=O)N2CCC(N3CCNC3=O)CC2)CCSC1	ZINC000330087058	676671816	/nfs/dbraw/zinc/67/18/16/676671816.db2.gz	SQGHAZSFINHQEM-MRXNPFEDSA-N	1	0	355.508	1.032	20	30		FDEDRO
O=C(Nc1ccn(CC(F)F)n1)NC1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000330133402	676674610	/nfs/dbraw/zinc/67/46/10/676674610.db2.gz	RASTUIDEQJXECF-GFCCVEGCSA-N	1	0	357.405	1.975	20	30		FDEDRO
CCn1nccc1N1CCC[C@H](NC(=O)C[N@H+](C)[C@@H]2CCSC2)C1=O	ZINC000330137269	676674769	/nfs/dbraw/zinc/67/47/69/676674769.db2.gz	HXGXOCIQYNNODF-KGLIPLIRSA-N	1	0	365.503	1.792	20	30		FDEDRO
CC(C)C[NH+]1CCC(NC(=O)N2CC(=O)N(CC(F)(F)F)C2)CC1	ZINC000330187086	676677212	/nfs/dbraw/zinc/67/72/12/676677212.db2.gz	SRIOARHHRQTINI-UHFFFAOYSA-N	1	0	350.385	1.685	20	30		FDEDRO
Cc1nc(C(C)(C)NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)no1	ZINC000330233797	676679902	/nfs/dbraw/zinc/67/99/02/676679902.db2.gz	SIDTWYYFWNUIAT-KGLIPLIRSA-N	1	0	351.451	1.495	20	30		FDEDRO
O=C(CN1CC[NH+](C[C@H]2CCOC2)CC1)NC(=O)NC1CCCCC1	ZINC000330253832	676681343	/nfs/dbraw/zinc/68/13/43/676681343.db2.gz	JCYGRMRTVKVCRW-OAHLLOKOSA-N	1	0	352.479	1.844	20	30		FDEDRO
CSC1(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCOCC1	ZINC000330328683	676684313	/nfs/dbraw/zinc/68/43/13/676684313.db2.gz	WCVBGFQEAZHKMR-CVEARBPZSA-N	1	0	371.547	1.780	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1	ZINC000330377850	676686806	/nfs/dbraw/zinc/68/68/06/676686806.db2.gz	QOBWYFSEAPKNOJ-BBWFWOEESA-N	1	0	372.535	1.430	20	30		FDEDRO
C[NH+](C)Cc1ccc(CNC(=O)N2CCC(S(N)(=O)=O)CC2)cc1F	ZINC000330380893	676687290	/nfs/dbraw/zinc/68/72/90/676687290.db2.gz	HULWLMIWEHBPRU-UHFFFAOYSA-N	1	0	372.466	1.054	20	30		FDEDRO
Cc1cc(C(=O)NC2CC[NH+](CCCS(=O)(=O)N(C)C)CC2)c(C)o1	ZINC000330544235	676695718	/nfs/dbraw/zinc/69/57/18/676695718.db2.gz	XXXCDQTZASLTAX-UHFFFAOYSA-N	1	0	371.503	1.947	20	30		FDEDRO
Cc1ccc(C(=O)N[C@@H](C)C[NH+](C)C)cc1S(=O)(=O)N1CCOCC1	ZINC000330676802	676700143	/nfs/dbraw/zinc/70/01/43/676700143.db2.gz	KNNWBTAOJRYDBQ-AWEZNQCLSA-N	1	0	369.487	1.271	20	30		FDEDRO
C[C@H](CNC(=O)N1CCC(O)(C(F)(F)F)CC1)C[NH+]1CCN(C)CC1	ZINC000330698467	676701066	/nfs/dbraw/zinc/70/10/66/676701066.db2.gz	GNJHIOJHXOLTAE-CYBMUJFWSA-N	1	0	366.428	1.173	20	30		FDEDRO
C[NH+](C)CC1(CNC(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CCCC1	ZINC000330765890	676703474	/nfs/dbraw/zinc/70/34/74/676703474.db2.gz	QLKGTRZZQOCJNT-CABCVRRESA-N	1	0	374.551	1.472	20	30		FDEDRO
CNS(=O)(=O)c1cccc(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)c1	ZINC000331108251	676717129	/nfs/dbraw/zinc/71/71/29/676717129.db2.gz	HQAXIDNOCFRUNI-HNNXBMFYSA-N	1	0	372.516	1.358	20	30		FDEDRO
C[C@H]([NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O)C(=O)NC1(C#N)CCCCC1	ZINC000331170067	676719815	/nfs/dbraw/zinc/71/98/15/676719815.db2.gz	HYBBSSWJMNJSNJ-SOUVJXGZSA-N	1	0	370.519	1.168	20	30		FDEDRO
CN(C)S(=O)(=O)c1ccccc1NC(=O)N1CC[C@H](C[NH+](C)C)C1	ZINC000331180070	676720288	/nfs/dbraw/zinc/72/02/88/676720288.db2.gz	RFGBTSWFKXFJFV-CYBMUJFWSA-N	1	0	354.476	1.366	20	30		FDEDRO
C[C@H]1CN(C(=O)NCCCN2CCCCC2=O)CC[N@@H+]1CC(C)(C)O	ZINC000331220784	676722532	/nfs/dbraw/zinc/72/25/32/676722532.db2.gz	JOHYISSQBMJWSH-HNNXBMFYSA-N	1	0	354.495	1.080	20	30		FDEDRO
CCOC(=O)c1cnc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)n1C	ZINC000331234307	676723234	/nfs/dbraw/zinc/72/32/34/676723234.db2.gz	KONCROHRNALKHH-QWHCGFSZSA-N	1	0	351.451	1.804	20	30		FDEDRO
CO[C@H]1CCN(C(=O)NCCSCc2ccccc2C#N)[C@H](C[NH3+])C1	ZINC000416874613	679727729	/nfs/dbraw/zinc/72/77/29/679727729.db2.gz	UDIUFOGUNRMAPL-IRXDYDNUSA-N	1	0	362.499	1.939	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2ccccc2C#N)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000362398726	676917388	/nfs/dbraw/zinc/91/73/88/676917388.db2.gz	YJNKZYFOHULJQZ-WBVHZDCISA-N	1	0	362.499	1.205	20	30		FDEDRO
Cn1ccnc1-c1nnc(NC(=O)N(CCC#N)CCC[NH+](C)C)s1	ZINC000364186890	676997941	/nfs/dbraw/zinc/99/79/41/676997941.db2.gz	ZABSAYSZUFYWJL-UHFFFAOYSA-N	1	0	362.463	1.638	20	30		FDEDRO
CN1C(=O)CSC12CC[NH+](CCC(=O)Nc1ccc(C#N)cc1)CC2	ZINC000364298539	677006142	/nfs/dbraw/zinc/00/61/42/677006142.db2.gz	GLUPBLSRLYLOER-UHFFFAOYSA-N	1	0	358.467	1.884	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2C[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)ccc1F	ZINC000364302857	677006409	/nfs/dbraw/zinc/00/64/09/677006409.db2.gz	IVNRGHWIICVQKH-DOTOQJQBSA-N	1	0	363.389	1.952	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN2CCOC[C@H]2C1)C(C)C	ZINC000364883130	677059811	/nfs/dbraw/zinc/05/98/11/677059811.db2.gz	OHEDQWCHPXEIQW-QZTJIDSGSA-N	1	0	350.507	1.411	20	30		FDEDRO
C[C@@H](CO)[N@@H+]1CCCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000364954585	677340716	/nfs/dbraw/zinc/34/07/16/677340716.db2.gz	LAZHAPMCHGPLAA-ZDUSSCGKSA-N	1	0	350.850	1.539	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[N@H+](Cc2ccccc2)CC1	ZINC000369521673	677505851	/nfs/dbraw/zinc/50/58/51/677505851.db2.gz	VSJPLENFKNVGBS-QGZVFWFLSA-N	1	0	364.515	1.921	20	30		FDEDRO
CCN1CCO[C@H](CN2CCN(c3snc(Cl)c3C#N)CC2)C1	ZINC000369695023	677510831	/nfs/dbraw/zinc/51/08/31/677510831.db2.gz	FVNHHCIDGUQMAI-LBPRGKRZSA-N	1	0	355.895	1.511	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H]([NH+]2CCCCCC2)C1	ZINC000371685227	677757236	/nfs/dbraw/zinc/75/72/36/677757236.db2.gz	KETFFJMLEOTPBK-INIZCTEOSA-N	1	0	357.520	1.637	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1	ZINC000422555864	680740996	/nfs/dbraw/zinc/74/09/96/680740996.db2.gz	REOVNXKAUQXYEH-DZKIICNBSA-N	1	0	365.499	1.596	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(C#N)s1	ZINC000373020032	678009523	/nfs/dbraw/zinc/00/95/23/678009523.db2.gz	BBGAEIXDCFKCSN-BNOWGMLFSA-N	1	0	355.485	1.492	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NCC1([NH+]2CCSCC2)CCCC1	ZINC000374550585	678086830	/nfs/dbraw/zinc/08/68/30/678086830.db2.gz	PSBCSDMIDYRXQF-CQSZACIVSA-N	1	0	360.549	1.416	20	30		FDEDRO
N#CC1(CCC[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)CCOCC1	ZINC000374776472	678091700	/nfs/dbraw/zinc/09/17/00/678091700.db2.gz	LHBGHROWANNXJK-UHFFFAOYSA-N	1	0	355.504	1.587	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CCCC[C@H]1COC(=O)N1CCCC1	ZINC000375767480	678170457	/nfs/dbraw/zinc/17/04/57/678170457.db2.gz	FMYAPJUOXPNWGU-INIZCTEOSA-N	1	0	350.463	1.835	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)o1	ZINC000376322929	678274025	/nfs/dbraw/zinc/27/40/25/678274025.db2.gz	ONQJQZJRCNQXFN-IYBDPMFKSA-N	1	0	357.435	1.904	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)Cc3ccc(C#N)cc3)CC2)C1	ZINC000377312279	678515234	/nfs/dbraw/zinc/51/52/34/678515234.db2.gz	VLVKGZNOKGQYLS-GOSISDBHSA-N	1	0	362.499	1.100	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1	ZINC000377628595	678577756	/nfs/dbraw/zinc/57/77/56/678577756.db2.gz	OCFNQUMHPCQBBZ-HOCLYGCPSA-N	1	0	352.385	1.311	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1	ZINC000409528231	678854026	/nfs/dbraw/zinc/85/40/26/678854026.db2.gz	JXVIUKYVRWVWME-KRWDZBQOSA-N	1	0	350.488	1.893	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N(CC[NH+](C)C)CC1CCCCC1	ZINC000410142898	678884388	/nfs/dbraw/zinc/88/43/88/678884388.db2.gz	NGUKHYSBZCHIIQ-UHFFFAOYSA-N	1	0	374.551	1.537	20	30		FDEDRO
Cc1ccccc1[C@H]([C@@H](C)NS(=O)(=O)N(C)C[C@H](C)C#N)[NH+](C)C	ZINC000410408718	678894312	/nfs/dbraw/zinc/89/43/12/678894312.db2.gz	PDTKWGAHOHAQPJ-UNEWFSDZSA-N	1	0	352.504	1.912	20	30		FDEDRO
COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)[C@@H]([NH3+])CCCC#N	ZINC000424061665	680827504	/nfs/dbraw/zinc/82/75/04/680827504.db2.gz	FUFVQJUYDSUIET-ZDUSSCGKSA-N	1	0	366.443	1.096	20	30		FDEDRO
C[C@H]([NH2+][C@H](CO)[C@H]1CCCOC1)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000411998171	679140367	/nfs/dbraw/zinc/14/03/67/679140367.db2.gz	VNOHPSABNAETQC-DETPVDSQSA-N	1	0	351.834	1.916	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)OCC	ZINC000412468685	679188173	/nfs/dbraw/zinc/18/81/73/679188173.db2.gz	VWAYAXBCNHRBEZ-QGZVFWFLSA-N	1	0	353.507	1.271	20	30		FDEDRO
N#Cc1cc(NC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)ccc1OCC(F)(F)F	ZINC000414832394	679370907	/nfs/dbraw/zinc/37/09/07/679370907.db2.gz	DLLGQESRXMJRAB-JQWIXIFHSA-N	1	0	358.320	1.201	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1	ZINC000414886725	679372548	/nfs/dbraw/zinc/37/25/48/679372548.db2.gz	CVEZLMNZYPDPSU-UKRRQHHQSA-N	1	0	366.487	1.885	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1	ZINC000414895925	679373090	/nfs/dbraw/zinc/37/30/90/679373090.db2.gz	NWEJNUYCEJUPOP-INIZCTEOSA-N	1	0	366.487	1.694	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)CCC[NH3+])cc1	ZINC000414901454	679373312	/nfs/dbraw/zinc/37/33/12/679373312.db2.gz	XBBLOOQISMKFGZ-CYBMUJFWSA-N	1	0	354.476	1.742	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000415048033	679378597	/nfs/dbraw/zinc/37/85/97/679378597.db2.gz	BSPYBDPABPZBBY-AWEZNQCLSA-N	1	0	355.364	1.824	20	30		FDEDRO
C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000415378882	679419108	/nfs/dbraw/zinc/41/91/08/679419108.db2.gz	QHRMXEAKADBAAA-VIFPVBQESA-N	1	0	358.320	1.291	20	30		FDEDRO
C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000415523095	679444672	/nfs/dbraw/zinc/44/46/72/679444672.db2.gz	MZOOEVJXBSHCIP-GXSJLCMTSA-N	1	0	352.341	1.294	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)[C@H](C)C[NH2+]1	ZINC000415574842	679456055	/nfs/dbraw/zinc/45/60/55/679456055.db2.gz	WUHCVWIWGXBOQV-NXEZZACHSA-N	1	0	365.231	1.468	20	30		FDEDRO
CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)s1	ZINC000415610967	679464776	/nfs/dbraw/zinc/46/47/76/679464776.db2.gz	WTYPNDKFYFLFOX-LLVKDONJSA-N	1	0	350.444	1.042	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)F)cc1C(F)(F)F	ZINC000415782962	679499974	/nfs/dbraw/zinc/49/99/74/679499974.db2.gz	HQSKYSYXYPGNHB-SNVBAGLBSA-N	1	0	364.274	1.614	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NCCC[NH2+]C2CC2)cc1Br	ZINC000415872213	679531669	/nfs/dbraw/zinc/53/16/69/679531669.db2.gz	RVXXSHBVWVROMG-UHFFFAOYSA-N	1	0	365.231	1.518	20	30		FDEDRO
N#Cc1ccc(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1	ZINC000417725273	679925595	/nfs/dbraw/zinc/92/55/95/679925595.db2.gz	OKAWKXXCFFKDSG-CQSZACIVSA-N	1	0	355.364	1.194	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1	ZINC000418569118	680092211	/nfs/dbraw/zinc/09/22/11/680092211.db2.gz	PILPZUQYLCQAMM-SWLSCSKDSA-N	1	0	352.385	1.012	20	30		FDEDRO
Cc1sc(NC(=O)CN2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c(C#N)c1C	ZINC000419344595	680240871	/nfs/dbraw/zinc/24/08/71/680240871.db2.gz	SDBKEGOVRJDUGH-NWDGAFQWSA-N	1	0	350.488	1.562	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)c1ccc(F)c(F)c1	ZINC000419677857	680317797	/nfs/dbraw/zinc/31/77/97/680317797.db2.gz	NJTVEAKNAKRNQQ-UVBJJODRSA-N	1	0	351.397	1.812	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)NCC[NH+]2CCCC2)c1Br	ZINC000419705164	680329977	/nfs/dbraw/zinc/32/99/77/680329977.db2.gz	ZLXDDFPSGCWKSS-UHFFFAOYSA-N	1	0	365.231	1.471	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCC1=CC[NH2+]CC1	ZINC000420133384	680405702	/nfs/dbraw/zinc/40/57/02/680405702.db2.gz	CCXQEGRMIBYMEV-UHFFFAOYSA-N	1	0	353.875	1.952	20	30		FDEDRO
CC1(NS(=O)(=O)c2ccc(C#N)c(Br)c2)CC[NH2+]CC1	ZINC000420448310	680456028	/nfs/dbraw/zinc/45/60/28/680456028.db2.gz	KXFQGGZUWNUDGQ-UHFFFAOYSA-N	1	0	358.261	1.741	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)CCOCC1CC1	ZINC000425141115	680874867	/nfs/dbraw/zinc/87/48/67/680874867.db2.gz	HPTXDXIEQQQTNV-UHFFFAOYSA-N	1	0	365.499	1.678	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](C1CCOCC1)C1(CO)CCC1	ZINC000425540751	680908533	/nfs/dbraw/zinc/90/85/33/680908533.db2.gz	LYFRRWNVXAEILZ-MSOLQXFVSA-N	1	0	351.491	1.588	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1CCC(=O)N(C)C1=O)C(C)C	ZINC000425613366	680912839	/nfs/dbraw/zinc/91/28/39/680912839.db2.gz	WFAHHGHGSOMNQQ-CABCVRRESA-N	1	0	350.463	1.132	20	30		FDEDRO
Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)Cn1cnc(C#N)n1	ZINC000426402795	680956813	/nfs/dbraw/zinc/95/68/13/680956813.db2.gz	DIMNRSLSQVDNEQ-UHFFFAOYSA-N	1	0	356.455	1.646	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CCC)C1	ZINC000430374362	681073730	/nfs/dbraw/zinc/07/37/30/681073730.db2.gz	HLSRMGVJHYLABV-ZACQAIPSSA-N	1	0	351.491	1.274	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(C#N)c(Cl)c2)CCCO1	ZINC000432340190	681153733	/nfs/dbraw/zinc/15/37/33/681153733.db2.gz	LSZYYPIMVYIJIT-ZDUSSCGKSA-N	1	0	371.890	1.991	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2	ZINC000435681440	681622453	/nfs/dbraw/zinc/62/24/53/681622453.db2.gz	KGWWWEUWIHDXNK-HNNXBMFYSA-N	1	0	362.499	1.704	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]1CS(=O)(=O)NC	ZINC000440388780	681994740	/nfs/dbraw/zinc/99/47/40/681994740.db2.gz	WFZLYKIYERTCJQ-IRXDYDNUSA-N	1	0	368.499	1.168	20	30		FDEDRO
N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)C1	ZINC000442794112	682181410	/nfs/dbraw/zinc/18/14/10/682181410.db2.gz	RJZVTMPOKPKEDP-BRWVUGGUSA-N	1	0	363.483	1.926	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1	ZINC000448975240	682654963	/nfs/dbraw/zinc/65/49/63/682654963.db2.gz	GMPZTEMGAWTUBW-UKRRQHHQSA-N	1	0	360.845	1.775	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1	ZINC000449549517	682684998	/nfs/dbraw/zinc/68/49/98/682684998.db2.gz	YQIZCVFIYUVSFY-HIFRSBDPSA-N	1	0	350.371	1.970	20	30		FDEDRO
COC[C@@]1(C(=O)OC)CC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1	ZINC000451332887	682863029	/nfs/dbraw/zinc/86/30/29/682863029.db2.gz	XFILWMQXPYKRAE-RHSMWYFYSA-N	1	0	351.447	1.229	20	30		FDEDRO
C[C@H]([N@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C(C)(C)O	ZINC000451374681	682873227	/nfs/dbraw/zinc/87/32/27/682873227.db2.gz	UEWVZPQUKIOQDD-LSDHHAIUSA-N	1	0	364.515	1.548	20	30		FDEDRO
CC(C)C[C@@H](CNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1)[NH+](C)C	ZINC000453576539	683166134	/nfs/dbraw/zinc/16/61/34/683166134.db2.gz	VOHKXHOZICCGTI-LBPRGKRZSA-N	1	0	351.838	1.638	20	30		FDEDRO
CC(C)[NH+](CCNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1)C(C)C	ZINC000453587136	683166988	/nfs/dbraw/zinc/16/69/88/683166988.db2.gz	YXGZZKBCADQFME-UHFFFAOYSA-N	1	0	351.838	1.780	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000453613049	683169863	/nfs/dbraw/zinc/16/98/63/683169863.db2.gz	NHJRGIZWBVMXBU-RYUDHWBXSA-N	1	0	363.849	1.782	20	30		FDEDRO
C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000453748107	683204345	/nfs/dbraw/zinc/20/43/45/683204345.db2.gz	JJXRQQJTAAPVOM-ABAIWWIYSA-N	1	0	361.833	1.630	20	30		FDEDRO
C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3cnc(C#N)c(Cl)c3)C2)C1	ZINC000453764471	683208851	/nfs/dbraw/zinc/20/88/51/683208851.db2.gz	CTSAUXUFHGVPBB-QGZVFWFLSA-N	1	0	361.833	1.489	20	30		FDEDRO
N#Cc1ccc(Cl)c(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2CCO)c1	ZINC000453815203	683219749	/nfs/dbraw/zinc/21/97/49/683219749.db2.gz	GVZUWHKTDKODIK-ZDUSSCGKSA-N	1	0	364.833	1.113	20	30		FDEDRO
CC[C@H]1CN(C(=O)Nc2cnc(C#N)c(Cl)c2)CC[N@@H+]1C[C@@H](C)O	ZINC000455780401	683499534	/nfs/dbraw/zinc/49/95/34/683499534.db2.gz	ILCZUKCUJUMXDJ-YPMHNXCESA-N	1	0	351.838	1.916	20	30		FDEDRO
N#Cc1ncc(NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1Cl	ZINC000455788093	683500573	/nfs/dbraw/zinc/50/05/73/683500573.db2.gz	NVCVACHHFSXOSZ-NSHDSACASA-N	1	0	364.837	1.316	20	30		FDEDRO
C=C(C)CCNC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C	ZINC000456120744	683573637	/nfs/dbraw/zinc/57/36/37/683573637.db2.gz	LTXRRRXAHWJFPB-UHFFFAOYSA-N	1	0	367.515	1.921	20	30		FDEDRO
C[C@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)C(=O)NC1(C#N)CCC1	ZINC000469319916	684962649	/nfs/dbraw/zinc/96/26/49/684962649.db2.gz	SAYKEZMBTZWEDX-LSDHHAIUSA-N	1	0	362.499	1.662	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H](CC(N)=O)C1)C(C)C	ZINC000472957456	685253390	/nfs/dbraw/zinc/25/33/90/685253390.db2.gz	GFGXWFLTAWDADR-DLBZAZTESA-N	1	0	350.507	1.982	20	30		FDEDRO
Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCCC(C)(C)[C@@H]1C#N	ZINC000480328756	686157848	/nfs/dbraw/zinc/15/78/48/686157848.db2.gz	BTPAXMVFDYNCDS-HNNXBMFYSA-N	1	0	367.519	1.764	20	30		FDEDRO
CS[C@@H]1CN(CC(=O)NCc2cccc(C#N)c2)C[C@H]1[NH+]1CCCC1	ZINC000484614621	686614167	/nfs/dbraw/zinc/61/41/67/686614167.db2.gz	KLELOCYFEBOCLS-QZTJIDSGSA-N	1	0	358.511	1.686	20	30		FDEDRO
Cc1ncc(S(=O)(=O)NC2CC[NH+](CCOC(C)C)CC2)cc1C#N	ZINC000489587434	687106255	/nfs/dbraw/zinc/10/62/55/687106255.db2.gz	DWYVBZHIJRVXGY-UHFFFAOYSA-N	1	0	366.487	1.429	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+](C)CC[C@H]2C)c1	ZINC000498740763	687848221	/nfs/dbraw/zinc/84/82/21/687848221.db2.gz	VDXOISGVKTZFMU-CQSZACIVSA-N	1	0	351.472	1.317	20	30		FDEDRO
CC[NH+](CC)CCN(C(=O)c1ccc(C#N)s1)[C@@H]1CCS(=O)(=O)C1	ZINC000503498176	688361394	/nfs/dbraw/zinc/36/13/94/688361394.db2.gz	VYHZRENFLFCZSZ-CYBMUJFWSA-N	1	0	369.512	1.591	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN(C(C)C)C(=O)C1)C(C)C	ZINC000507963040	688695554	/nfs/dbraw/zinc/69/55/54/688695554.db2.gz	PKITWXNPYVVNEV-QGZVFWFLSA-N	1	0	350.507	1.947	20	30		FDEDRO
C=CC[C@H]1N(C(=O)C(=O)NCC[N@@H+](C)CCCOC)CCCC1(C)C	ZINC000509720952	689304150	/nfs/dbraw/zinc/30/41/50/689304150.db2.gz	LLTBVTPBDHGZEJ-MRXNPFEDSA-N	1	0	353.507	1.664	20	30		FDEDRO
CC[NH+](CC)CCOC1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1	ZINC000510357915	689370055	/nfs/dbraw/zinc/37/00/55/689370055.db2.gz	YJSBPFGMVLWFBH-OAHLLOKOSA-N	1	0	360.524	1.288	20	30		FDEDRO
CC(C)(C#N)CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1	ZINC000510672339	689407462	/nfs/dbraw/zinc/40/74/62/689407462.db2.gz	VZEZEHBNXXENHS-UHFFFAOYSA-N	1	0	360.483	1.840	20	30		FDEDRO
CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1cccc(C#N)c1	ZINC000510775206	689419971	/nfs/dbraw/zinc/41/99/71/689419971.db2.gz	CZVCTHAYJJGIRY-HOTGVXAUSA-N	1	0	364.471	1.337	20	30		FDEDRO
COCCN(CC[NH+](C)C)C(=O)c1ccc(Br)cc1C#N	ZINC000515301620	689838355	/nfs/dbraw/zinc/83/83/55/689838355.db2.gz	OBPXVGJPWYJHCK-UHFFFAOYSA-N	1	0	354.248	1.971	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1	ZINC000517226752	690046510	/nfs/dbraw/zinc/04/65/10/690046510.db2.gz	WVTVPEFKSVXHMJ-ZFWWWQNUSA-N	1	0	364.427	1.762	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CCN(C(=O)N[C@H]3C[NH2+]CCC3(F)F)C2)nc1	ZINC000517225738	690046554	/nfs/dbraw/zinc/04/65/54/690046554.db2.gz	HOXMXBWUMNVULW-STQMWFEESA-N	1	0	351.357	1.113	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1	ZINC000517226751	690046562	/nfs/dbraw/zinc/04/65/62/690046562.db2.gz	WVTVPEFKSVXHMJ-UKRRQHHQSA-N	1	0	364.427	1.762	20	30		FDEDRO
N#Cc1ncn(CC[NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)n1	ZINC000518171932	690122292	/nfs/dbraw/zinc/12/22/92/690122292.db2.gz	JITFJTFJOFEWFB-UHFFFAOYSA-N	1	0	352.320	1.787	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]Cc2cnn(CC(F)(F)F)c2)cc1	ZINC000519819555	690275535	/nfs/dbraw/zinc/27/55/35/690275535.db2.gz	MDNKUCSZPBWSIA-AWEZNQCLSA-N	1	0	354.332	1.847	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000641417504	696094663	/nfs/dbraw/zinc/09/46/63/696094663.db2.gz	GBMFOVNUPITZFV-INIZCTEOSA-N	1	0	365.499	1.309	20	30		FDEDRO
N#Cc1c(Cl)nccc1C(F)(F)N1CC(=O)NC2(CC[NH2+]CC2)C1	ZINC001164389504	718808901	/nfs/dbraw/zinc/80/89/01/718808901.db2.gz	JLJQDMWKXZCRIU-UHFFFAOYSA-N	1	0	355.776	1.210	20	30		FDEDRO
N#Cc1ccccc1Oc1nc(Cl)ncc1N1CCN2CC[NH2+]C[C@@H]2C1	ZINC001164400362	718843416	/nfs/dbraw/zinc/84/34/16/718843416.db2.gz	XOSAOSAOVRDBOK-CQSZACIVSA-N	1	0	370.844	1.888	20	30		FDEDRO
CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)cc1C#N	ZINC001164614085	719015972	/nfs/dbraw/zinc/01/59/72/719015972.db2.gz	BXFXIILOYDZMSN-WXHSDQCUSA-N	1	0	370.787	1.881	20	30		FDEDRO
Cc1nc(Cl)nc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)c1C#N	ZINC001164684719	719622918	/nfs/dbraw/zinc/62/29/18/719622918.db2.gz	WWRZCLSMUBEHLV-UHFFFAOYSA-N	1	0	359.865	1.982	20	30		FDEDRO
CC(C)N(C)Cc1nn(-c2ncc3c(C#N)c[nH]c3n2)c2c1CC[NH2+]C2	ZINC001164683492	719635007	/nfs/dbraw/zinc/63/50/07/719635007.db2.gz	SOMZEEROZRKREF-UHFFFAOYSA-N	1	0	350.430	1.501	20	30		FDEDRO
C=CCNC(=O)c1cccnc1N1CCC2(CCC[N@H+]2CC(=O)NC)CC1	ZINC001164689857	719740102	/nfs/dbraw/zinc/74/01/02/719740102.db2.gz	MECGAFFYPJOSJW-UHFFFAOYSA-N	1	0	371.485	1.178	20	30		FDEDRO
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cncc(C#N)n2)CC1	ZINC001164818896	720302915	/nfs/dbraw/zinc/30/29/15/720302915.db2.gz	BKITXUSXAMZISO-DLBZAZTESA-N	1	0	354.458	1.260	20	30		FDEDRO
Cc1cnc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(C#N)n1	ZINC001164833965	720334159	/nfs/dbraw/zinc/33/41/59/720334159.db2.gz	YIRXRNYYECOLHU-ZWKOTPCHSA-N	1	0	368.485	1.568	20	30		FDEDRO
N#Cc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cn1	ZINC001164739862	720815721	/nfs/dbraw/zinc/81/57/21/720815721.db2.gz	JCJQDKDIZWAYHD-RYQLBKOJSA-N	1	0	364.457	1.319	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)cnc3C#N)CC[C@@H]2C1	ZINC001164848780	720842101	/nfs/dbraw/zinc/84/21/01/720842101.db2.gz	AZYXKNAAKCVSHB-TZMCWYRMSA-N	1	0	351.838	1.175	20	30		FDEDRO
C=CCOc1cc(C)nc(N2CC[C@@H]3C[N@H+](CCOC)CCO[C@@H]3C2)n1	ZINC001164851555	720856539	/nfs/dbraw/zinc/85/65/39/720856539.db2.gz	AXXVLRVNPPWVCC-IAGOWNOFSA-N	1	0	362.474	1.523	20	30		FDEDRO
Cc1cnc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c(C=NO)c1	ZINC001164761209	721176089	/nfs/dbraw/zinc/17/60/89/721176089.db2.gz	AEHGROXOXVLXJP-AEFFLSMTSA-N	1	0	354.458	1.890	20	30		FDEDRO
Cc1nc(C#N)cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1	ZINC001164866492	721186493	/nfs/dbraw/zinc/18/64/93/721186493.db2.gz	BKTLPVOLDPRGMI-MSOLQXFVSA-N	1	0	350.426	1.531	20	30		FDEDRO
CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncnc3[nH]cc(C#N)c32)CC1	ZINC001165008789	721728759	/nfs/dbraw/zinc/72/87/59/721728759.db2.gz	QTRHJRCOTDJOMX-UHFFFAOYSA-N	1	0	367.457	1.353	20	30		FDEDRO
CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ccc(C2(C#N)CCOCC2)cn1	ZINC001164927088	721876213	/nfs/dbraw/zinc/87/62/13/721876213.db2.gz	UNKXFDVYAIREGC-RTBURBONSA-N	1	0	369.513	1.868	20	30		FDEDRO
CCCc1ccccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104403367	782199894	/nfs/dbraw/zinc/19/98/94/782199894.db2.gz	HHPOAZBGVICOLV-SJLPKXTDSA-N	1	0	370.497	1.967	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CCCOC)C[C@H]1c1ccccc1	ZINC001211542054	782535837	/nfs/dbraw/zinc/53/58/37/782535837.db2.gz	WDEKZFZJXDXWNN-YTQUADARSA-N	1	0	371.481	1.135	20	30		FDEDRO
C[NH+]=C(NCc1ccc(-n2ccnc2C)nc1)N1CC[C@@]2(CCOC2)C1	ZINC000158136945	782618319	/nfs/dbraw/zinc/61/83/19/782618319.db2.gz	MJRUJCYCROOAHS-LJQANCHMSA-N	1	0	354.458	1.764	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cncc(CC)c1)C2	ZINC001112468290	769016074	/nfs/dbraw/zinc/01/60/74/769016074.db2.gz	CNFXMIDVVJYOBV-RXVVDRJESA-N	1	0	370.497	1.778	20	30		FDEDRO
Cn1nccc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1	ZINC001020421092	769383893	/nfs/dbraw/zinc/38/38/93/769383893.db2.gz	CJJVPWKKAJHDJK-QBPKDAKJSA-N	1	0	367.428	1.971	20	30		FDEDRO
C[NH+]1CCC(CNc2cc(N)c([N+](=O)[O-])c(C#N)c2)(N2CCOCC2)CC1	ZINC000413483602	782754018	/nfs/dbraw/zinc/75/40/18/782754018.db2.gz	RVPIJFGIPLVMAS-UHFFFAOYSA-N	1	0	374.445	1.257	20	30		FDEDRO
C[NH+]1CCC(CNc2ncc([N+](=O)[O-])cc2C#N)(N2CCOCC2)CC1	ZINC000413484387	782761640	/nfs/dbraw/zinc/76/16/40/782761640.db2.gz	TYSWAFGFHGKKIE-UHFFFAOYSA-N	1	0	360.418	1.070	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@H+](C[C@H](O)COCCOC)C[C@H]2C)CCCC1	ZINC001211492941	769765226	/nfs/dbraw/zinc/76/52/26/769765226.db2.gz	QMSZKFIRKXLQEP-FGTMMUONSA-N	1	0	368.518	1.583	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1	ZINC000969509066	770349828	/nfs/dbraw/zinc/34/98/28/770349828.db2.gz	ULBDGPVBTDHBDB-KGLIPLIRSA-N	1	0	371.909	1.327	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1	ZINC000187554994	770453033	/nfs/dbraw/zinc/45/30/33/770453033.db2.gz	BIJHALFZZDRLJI-UHFFFAOYSA-N	1	0	355.438	1.724	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCn2nc(C)cc2C)C1	ZINC000969693808	770673930	/nfs/dbraw/zinc/67/39/30/770673930.db2.gz	WYXNKNZFYNDQLP-QRQLOZEOSA-N	1	0	360.502	1.918	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCc2cccc(N3CCOCC3)n2)cc1	ZINC000274815678	770781019	/nfs/dbraw/zinc/78/10/19/770781019.db2.gz	WQAMMCVQBZRQFE-UHFFFAOYSA-N	1	0	369.469	1.574	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)CC1	ZINC000246093359	771077570	/nfs/dbraw/zinc/07/75/70/771077570.db2.gz	NYQKXWDZDGANIR-BJLQDIEVSA-N	1	0	362.518	1.306	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cc(CC)ccn2)C[C@H]1C	ZINC001104230117	771202160	/nfs/dbraw/zinc/20/21/60/771202160.db2.gz	HXISWWYHQKIMEO-JFIYKMOQSA-N	1	0	370.497	1.470	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nn(CC)nc2C)C1	ZINC001020713571	771285656	/nfs/dbraw/zinc/28/56/56/771285656.db2.gz	BLJNYZUHEMNSQA-OVWQWFNUSA-N	1	0	361.490	1.715	20	30		FDEDRO
C[NH+](C)C[C@](C)(O)CNC(=O)c1cnn(CCC#N)c1-c1ccccc1	ZINC000430302405	771300521	/nfs/dbraw/zinc/30/05/21/771300521.db2.gz	RFLXABKHGNIZFE-LJQANCHMSA-N	1	0	355.442	1.506	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C1	ZINC001020726373	771304146	/nfs/dbraw/zinc/30/41/46/771304146.db2.gz	HXGUGRXSZYFHJG-IAVJCBSLSA-N	1	0	361.486	1.358	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C(CC=C)CC=C)C[C@H]1C	ZINC001104231460	771429904	/nfs/dbraw/zinc/42/99/04/771429904.db2.gz	BBTDACJGEXCIPT-ZHALLVOQSA-N	1	0	359.514	1.967	20	30		FDEDRO
CC(C)C[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1	ZINC000328649138	771462263	/nfs/dbraw/zinc/46/22/63/771462263.db2.gz	INNUEZPQNAUQTL-KRWDZBQOSA-N	1	0	366.506	1.344	20	30		FDEDRO
C=CCOCC[N@H+]1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1	ZINC001167251186	771805509	/nfs/dbraw/zinc/80/55/09/771805509.db2.gz	BZGLZLGCCCNGLU-HNNXBMFYSA-N	1	0	355.479	1.542	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(CCc3ccccc3F)C[C@@H]21	ZINC001083198878	771826337	/nfs/dbraw/zinc/82/63/37/771826337.db2.gz	VXGURJVUXBIJBK-BTHPGYMESA-N	1	0	374.456	1.871	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+][C@@H](C)C(=O)NCCC)CC1	ZINC001167277684	771857238	/nfs/dbraw/zinc/85/72/38/771857238.db2.gz	PXLDSZKIBPAGMP-XHSDSOJGSA-N	1	0	351.491	1.368	20	30		FDEDRO
O=C(N[C@@H]1CCCN(c2ncccn2)C1)N1CCC[C@@H]([NH+]2CCCC2)C1	ZINC000328665237	771946002	/nfs/dbraw/zinc/94/60/02/771946002.db2.gz	YZXCCTFIPKDUDT-IAGOWNOFSA-N	1	0	358.490	1.920	20	30		FDEDRO
N#CCCN(CCN1CCOCC1)C(=O)CC[N@@H+]1CCc2ccccc2C1	ZINC000471373322	772002105	/nfs/dbraw/zinc/00/21/05/772002105.db2.gz	MEVPYQKKINAXLS-UHFFFAOYSA-N	1	0	370.497	1.509	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cnc(OC)nc2C)C1	ZINC000970241128	772159382	/nfs/dbraw/zinc/15/93/82/772159382.db2.gz	BUCILIWBGGMZOX-IKGGRYGDSA-N	1	0	360.458	1.465	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nncn2C)C1)OCC	ZINC001104255308	772418759	/nfs/dbraw/zinc/41/87/59/772418759.db2.gz	CQEICCUFXVWBGK-BRWVUGGUSA-N	1	0	363.506	1.761	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)CC)C1)OCC	ZINC001104255383	772432372	/nfs/dbraw/zinc/43/23/72/772432372.db2.gz	NEPDPNJMGGSXGM-KURKYZTESA-N	1	0	367.534	1.910	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@@H]2O)C1	ZINC000970398670	772558121	/nfs/dbraw/zinc/55/81/21/772558121.db2.gz	JGWNHMSIJCMRQQ-ZACQAIPSSA-N	1	0	363.502	1.294	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C[C@@H]2O)C1	ZINC000970398729	772558236	/nfs/dbraw/zinc/55/82/36/772558236.db2.gz	LBIHINCAFGCDGS-BBWFWOEESA-N	1	0	363.502	1.009	20	30		FDEDRO
Cc1nsc(NC[C@@H](C)CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)c1C#N	ZINC001104269831	772662617	/nfs/dbraw/zinc/66/26/17/772662617.db2.gz	HFRHQEYBBIOXGL-MISXGVKJSA-N	1	0	351.476	1.207	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ccc(C(=O)NC)cc2)C1	ZINC000970446142	772674759	/nfs/dbraw/zinc/67/47/59/772674759.db2.gz	AUARBYIGHVGXJY-ZMYBRWDISA-N	1	0	371.481	1.574	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(F)(F)C2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104272265	772707263	/nfs/dbraw/zinc/70/72/63/772707263.db2.gz	VNYQXJUYXPFEMJ-MGPQQGTHSA-N	1	0	356.417	1.136	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(CCOC)CC2)C[C@H]1C	ZINC001104276821	772731596	/nfs/dbraw/zinc/73/15/96/772731596.db2.gz	MWIQDLJKXOYWRC-IXDOHACOSA-N	1	0	365.518	1.568	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1	ZINC001021285866	772749027	/nfs/dbraw/zinc/74/90/27/772749027.db2.gz	UOWWZWZAQJWLMZ-XCDJFROHSA-N	1	0	368.477	1.954	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C)C(C)(C)C1	ZINC000891007166	772805138	/nfs/dbraw/zinc/80/51/38/772805138.db2.gz	YVXDXZWHUIYDRQ-UHFFFAOYSA-N	1	0	374.441	1.075	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1	ZINC001021326021	772921712	/nfs/dbraw/zinc/92/17/12/772921712.db2.gz	POHSIXRAONFHMH-LZLYRXPVSA-N	1	0	369.469	1.434	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cc(C)no2)C1=O	ZINC001087119859	773222464	/nfs/dbraw/zinc/22/24/64/773222464.db2.gz	UYESGBGPBSAKIK-KBMXLJTQSA-N	1	0	360.458	1.600	20	30		FDEDRO
C[NH+](C)C1(C(=O)N2C[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)CCC1	ZINC001021414401	773251381	/nfs/dbraw/zinc/25/13/81/773251381.db2.gz	QYKGCFJJLPFSJU-XJKSGUPXSA-N	1	0	355.442	1.044	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](CCC)S(N)(=O)=O)C2	ZINC001112491178	773521111	/nfs/dbraw/zinc/52/11/11/773521111.db2.gz	INJVWLNRADGUOP-ZOBUZTSGSA-N	1	0	357.520	1.238	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1	ZINC000785004199	773699981	/nfs/dbraw/zinc/69/99/81/773699981.db2.gz	WDUIBFVACQORIR-MAUKXSAKSA-N	1	0	357.454	1.826	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](Cn2cccn2)N(C)C)C[C@H]1C	ZINC001104290838	773823050	/nfs/dbraw/zinc/82/30/50/773823050.db2.gz	GBFPUPZSHXQBFD-QRVBRYPASA-N	1	0	361.534	1.854	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1	ZINC001022778582	783131490	/nfs/dbraw/zinc/13/14/90/783131490.db2.gz	RCZGCBHXNXGKAO-FHLIZLRMSA-N	1	0	358.486	1.327	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)nn1	ZINC000891246255	774082304	/nfs/dbraw/zinc/08/23/04/774082304.db2.gz	BJKTZHYWMHHQPT-GOSISDBHSA-N	1	0	356.474	1.953	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@H]21	ZINC001021593039	774134782	/nfs/dbraw/zinc/13/47/82/774134782.db2.gz	AASBPJFANGGZNO-NSHGMRRFSA-N	1	0	355.482	1.334	20	30		FDEDRO
C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1C	ZINC001104304335	774409572	/nfs/dbraw/zinc/40/95/72/774409572.db2.gz	BZWNDIYAHIKDNC-OAGGEKHMSA-N	1	0	364.490	1.405	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1	ZINC000275908308	774475350	/nfs/dbraw/zinc/47/53/50/774475350.db2.gz	HRFKMXXWEFGTFZ-MAUKXSAKSA-N	1	0	355.438	1.580	20	30		FDEDRO
[NH2+]=C(NC[C@@H]1CCC2(CCOCC2)[C@H]1O)N[C@@H]1CCOc2ccccc21	ZINC000261603479	774539090	/nfs/dbraw/zinc/53/90/90/774539090.db2.gz	CSRGZFFQDQPLTM-LESCRADOSA-N	1	0	359.470	1.982	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC1(C[NH2+][C@H]2CCN(C)C2=O)CC1	ZINC001167422198	774561813	/nfs/dbraw/zinc/56/18/13/774561813.db2.gz	KDXCIJBTNDLJPV-ULQDDVLXSA-N	1	0	363.502	1.465	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1	ZINC001021699163	774659971	/nfs/dbraw/zinc/65/99/71/774659971.db2.gz	MWRUWBSVFGSAAJ-XUVXKRRUSA-N	1	0	365.477	1.221	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(=O)NCCCC)CC1	ZINC001167435440	774846861	/nfs/dbraw/zinc/84/68/61/774846861.db2.gz	ZGZMTNKKBCNNIQ-WMZOPIPTSA-N	1	0	365.518	1.760	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1CC[NH2+]CC#Cc1ccccc1	ZINC001104317827	774854595	/nfs/dbraw/zinc/85/45/95/774854595.db2.gz	OBTDSWBTXBQALX-SJLPKXTDSA-N	1	0	355.482	1.624	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C3CCC=CCC3)[C@@H]2C1	ZINC001021726375	774862734	/nfs/dbraw/zinc/86/27/34/774862734.db2.gz	GBYFVNMPTRHMSC-SLFFLAALSA-N	1	0	369.509	1.890	20	30		FDEDRO
Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1	ZINC001167438161	774974498	/nfs/dbraw/zinc/97/44/98/774974498.db2.gz	RBDIVOZXVPFYPQ-ZWKOTPCHSA-N	1	0	368.481	1.614	20	30		FDEDRO
N#Cc1ccc(SCC(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)cc1	ZINC000728679337	790353271	/nfs/dbraw/zinc/35/32/71/790353271.db2.gz	CSIMSYRERHFSOL-UHFFFAOYSA-N	1	0	373.478	1.937	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cnc3cc[nH]c3c2)C[C@H]1C	ZINC001104337219	775787934	/nfs/dbraw/zinc/78/79/34/775787934.db2.gz	LDMKMTNZRMTCMG-HUUCEWRRSA-N	1	0	367.453	1.000	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)COCc2ccnn2C)C[C@H]1C	ZINC001104340682	775872362	/nfs/dbraw/zinc/87/23/62/775872362.db2.gz	RAVBLCSAQXNSSV-IAGOWNOFSA-N	1	0	364.490	1.214	20	30		FDEDRO
C[C@@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1)c1ccncc1	ZINC001104347010	776068262	/nfs/dbraw/zinc/06/82/62/776068262.db2.gz	PUFOCXOPIKRMFV-LZLYRXPVSA-N	1	0	371.485	1.289	20	30		FDEDRO
CC(C)C[C@@H]1C[N@H+](C)CCN1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000933252551	776411782	/nfs/dbraw/zinc/41/17/82/776411782.db2.gz	YNWQZGRRSYBWQO-RTBURBONSA-N	1	0	363.550	1.341	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C(F)=C(C)C)C[C@H]32)CC1	ZINC001021883338	776483182	/nfs/dbraw/zinc/48/31/82/776483182.db2.gz	DVBBOABWXGRYOM-DLBZAZTESA-N	1	0	361.461	1.654	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C(C)=C4CCC4)C[C@H]32)CC1	ZINC001021884155	776497609	/nfs/dbraw/zinc/49/76/09/776497609.db2.gz	SVGBVNCZOYCBDO-VQTJNVASSA-N	1	0	369.509	1.891	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)CC(C)(C)C)C[C@H]32)CC1	ZINC001021884224	776498702	/nfs/dbraw/zinc/49/87/02/776498702.db2.gz	UQNHWFDGFDGHAU-ZWKOTPCHSA-N	1	0	359.514	1.827	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)c4cccn4C)C[C@H]32)CC1	ZINC001021884394	776499720	/nfs/dbraw/zinc/49/97/20/776499720.db2.gz	YBWNKVKBYOZMBT-PKOBYXMFSA-N	1	0	368.481	1.043	20	30		FDEDRO
C[N@H+](CC(=O)N1CC[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21)C1CCC1	ZINC001021939164	776749620	/nfs/dbraw/zinc/74/96/20/776749620.db2.gz	CMUFAFBWKQJTRO-WMLDXEAASA-N	1	0	355.442	1.044	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1c1ccccc1	ZINC001211514751	776844182	/nfs/dbraw/zinc/84/41/82/776844182.db2.gz	FIGVUSFFDQPVKC-RBUKOAKNSA-N	1	0	371.481	1.299	20	30		FDEDRO
C=C(C)C[C@@H](CO)NC(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C	ZINC000891409424	776920229	/nfs/dbraw/zinc/92/02/29/776920229.db2.gz	GYXQOZRYZXEESE-HNNXBMFYSA-N	1	0	363.458	1.317	20	30		FDEDRO
C=C(C)C[C@H](CO)NC(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C	ZINC000891409426	776920724	/nfs/dbraw/zinc/92/07/24/776920724.db2.gz	GYXQOZRYZXEESE-OAHLLOKOSA-N	1	0	363.458	1.317	20	30		FDEDRO
C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1C	ZINC001104736286	790501178	/nfs/dbraw/zinc/50/11/78/790501178.db2.gz	RRXBAZTWXIPDLR-OAGGEKHMSA-N	1	0	364.490	1.405	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)Cc2cncnc2)C1=O	ZINC001087157563	777168362	/nfs/dbraw/zinc/16/83/62/777168362.db2.gz	MYNJICFVMAGZAH-NJAFHUGGSA-N	1	0	371.485	1.023	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2cn[nH]n2)C1	ZINC001075422017	777230729	/nfs/dbraw/zinc/23/07/29/777230729.db2.gz	GLSTUMZCFCQBFL-NVXWUHKLSA-N	1	0	355.417	1.803	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001075421983	777232328	/nfs/dbraw/zinc/23/23/28/777232328.db2.gz	DEXPFAHDEPUYFV-OWYHZJEWSA-N	1	0	371.456	1.492	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c(C)c(C)nn(C)c1=O)C2	ZINC001112505761	777363722	/nfs/dbraw/zinc/36/37/22/777363722.db2.gz	GYHULSRDDIYUTB-JXFKEZNVSA-N	1	0	356.470	1.252	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c(C)c(C)nn(C)c1=O)C2	ZINC001112505835	777382759	/nfs/dbraw/zinc/38/27/59/777382759.db2.gz	KQGVNDJYYBFZQT-JXFKEZNVSA-N	1	0	356.470	1.252	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2nccc(C)n2)C1=O	ZINC001087159186	777446110	/nfs/dbraw/zinc/44/61/10/777446110.db2.gz	KEDXIJDDGKWQEM-PVAVHDDUSA-N	1	0	371.485	1.402	20	30		FDEDRO
C[N@@H+](CC(=O)NCCC1=CCCCC1)C[C@H](O)CC1(C#N)CCOCC1	ZINC000933360006	777557358	/nfs/dbraw/zinc/55/73/58/777557358.db2.gz	TVKKCOJQDGLQFX-GOSISDBHSA-N	1	0	363.502	1.996	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)C1	ZINC001022098591	777902052	/nfs/dbraw/zinc/90/20/52/777902052.db2.gz	NAKQGLPQJULLOB-NYCLONFESA-N	1	0	370.453	1.240	20	30		FDEDRO
O=C(NCc1cccnc1N1CCOCC1)N1CCC[C@H]([NH+]2CCCC2)C1	ZINC000328832325	778447529	/nfs/dbraw/zinc/44/75/29/778447529.db2.gz	RNXPPUZIOWBOME-SFHVURJKSA-N	1	0	373.501	1.892	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)Cn2nnc(-c3ccco3)n2)C[C@H]1C	ZINC001104376362	778639207	/nfs/dbraw/zinc/63/92/07/778639207.db2.gz	BEHWNQQITNZBSC-HUUCEWRRSA-N	1	0	356.430	1.031	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2OCCO[C@H]2C)C1	ZINC001022224203	778728332	/nfs/dbraw/zinc/72/83/32/778728332.db2.gz	ZTCMXFHVKGPVIC-PTOXDTDZSA-N	1	0	359.426	1.108	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3ccsc3)C2)C1=O	ZINC001022282199	779119356	/nfs/dbraw/zinc/11/93/56/779119356.db2.gz	RWAYWCMHIAOCNF-NNXHMXCWSA-N	1	0	359.495	1.875	20	30		FDEDRO
C[C@@H]1CCN(C(=O)Cn2nccn2)[C@H](C[NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC001087171251	779178146	/nfs/dbraw/zinc/17/81/46/779178146.db2.gz	CUYIFBLTGJEDGH-PBHICJAKSA-N	1	0	370.432	1.706	20	30		FDEDRO
COc1ccc(N2CCN(CC[NH2+]Cc3cc(C#N)n(C)c3)CC2)cc1	ZINC000276730320	779215826	/nfs/dbraw/zinc/21/58/26/779215826.db2.gz	DITYNXVXQIYOJJ-UHFFFAOYSA-N	1	0	353.470	1.817	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@](O)(C2(C(=O)OC)CCC2)C1	ZINC000933843563	779856080	/nfs/dbraw/zinc/85/60/80/779856080.db2.gz	YMRBSDLUCHDCCF-OXJNMPFZSA-N	1	0	364.486	1.746	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C3CCOCC3)C2)C1=O	ZINC001022420322	780000900	/nfs/dbraw/zinc/00/09/00/780000900.db2.gz	QDCFMGRNGQURDJ-IGKNDFSCSA-N	1	0	361.486	1.073	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C)n2C)C1	ZINC001111586790	780056583	/nfs/dbraw/zinc/05/65/83/780056583.db2.gz	MTZUGJHJMMAMPN-GUXCAODWSA-N	1	0	356.470	1.056	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2coc(OCC)n2)C[C@H]1C	ZINC001104387132	780214614	/nfs/dbraw/zinc/21/46/14/780214614.db2.gz	HLNWRHKRGYHGQR-ZIAGYGMSSA-N	1	0	364.446	1.063	20	30		FDEDRO
N#Cc1cc(C(=O)N2C[C@H]3CCN(C(=O)C45CCC[NH+]4CCC5)C[C@H]32)c[nH]1	ZINC000971877608	780433306	/nfs/dbraw/zinc/43/33/06/780433306.db2.gz	ZUXUZEMXDLIYPB-RHSMWYFYSA-N	1	0	367.453	1.188	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc3cnccc3o2)C[C@H]1C	ZINC001104389357	780637573	/nfs/dbraw/zinc/63/75/73/780637573.db2.gz	WNJGAIMCBSTNJN-HUUCEWRRSA-N	1	0	370.453	1.818	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccnnc2C)C[C@H]1C	ZINC001104390034	780651964	/nfs/dbraw/zinc/65/19/64/780651964.db2.gz	DAODJWHHFJRBHI-FVQBIDKESA-N	1	0	359.474	1.164	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+][C@@H]1CN(C(=O)C(C)C)C[C@H]1c1ccccc1	ZINC001211532270	780900018	/nfs/dbraw/zinc/90/00/18/780900018.db2.gz	OWRQJNKIDYJPGD-RBUKOAKNSA-N	1	0	370.497	1.989	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CC=CCC1)C2	ZINC001112509739	781055603	/nfs/dbraw/zinc/05/56/03/781055603.db2.gz	JUSASFPXQZZXDY-LQWHRVPQSA-N	1	0	357.498	1.701	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]21	ZINC001022568918	781185676	/nfs/dbraw/zinc/18/56/76/781185676.db2.gz	AWZXRLBGDJWPDN-FHLIZLRMSA-N	1	0	354.454	1.581	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]21	ZINC001022569855	781201260	/nfs/dbraw/zinc/20/12/60/781201260.db2.gz	QMEBNGCCIPJDQE-HLLBOEOZSA-N	1	0	360.502	1.858	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)SC)C[C@H]1c1ccccc1	ZINC001211535542	781291373	/nfs/dbraw/zinc/29/13/73/781291373.db2.gz	HGNQEDYMHBMRND-HYVNUMGLSA-N	1	0	361.511	1.624	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(-c4nc[nH]n4)cc3)[C@H]2C1	ZINC001083239323	781783487	/nfs/dbraw/zinc/78/34/87/781783487.db2.gz	KRHCMCNSTWLDIX-DLBZAZTESA-N	1	0	353.426	1.573	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C[C@@H]2COCCN2C(=O)OC(C)(C)C)CC1	ZINC000375662958	781830895	/nfs/dbraw/zinc/83/08/95/781830895.db2.gz	ACSDNBSOLXWCPJ-MRXNPFEDSA-N	1	0	367.490	1.779	20	30		FDEDRO
CNC(=O)CC1CCN(C(NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)=[NH+]C)CC1	ZINC000153028587	783339732	/nfs/dbraw/zinc/33/97/32/783339732.db2.gz	XPCYGQTUKDWHMF-MRXNPFEDSA-N	1	0	365.566	1.920	20	30		FDEDRO
CC(C)[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@H](O)COc1ccccc1	ZINC000277796009	783347445	/nfs/dbraw/zinc/34/74/45/783347445.db2.gz	NVVIEPZJBJMRBL-SFHVURJKSA-N	1	0	372.469	1.793	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@H](C)C4CCC4)[C@@H]3C2)CC1	ZINC000972817222	783723362	/nfs/dbraw/zinc/72/33/62/783723362.db2.gz	WQEMONBLQBAPEO-NSISKUIASA-N	1	0	371.525	1.827	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn3c2OCCC3)C[C@H]1c1ccccc1	ZINC001211629449	783787594	/nfs/dbraw/zinc/78/75/94/783787594.db2.gz	QYRJGPRUJSXBIC-RBUKOAKNSA-N	1	0	364.449	1.887	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)/C=C(\C)C3CC3)C[C@H]21	ZINC000972834864	783902014	/nfs/dbraw/zinc/90/20/14/783902014.db2.gz	GAMIAFVCAIPKGH-MUFNROQPSA-N	1	0	355.482	1.500	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3ccccc3)C[C@H]21	ZINC000972835493	783904086	/nfs/dbraw/zinc/90/40/86/783904086.db2.gz	WMYMNWVMSSZRQH-CEXWTWQISA-N	1	0	351.450	1.457	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3occc3C)C[C@H]21	ZINC000972835559	783904253	/nfs/dbraw/zinc/90/42/53/783904253.db2.gz	YAQCMVRJGKVCBX-FGTMMUONSA-N	1	0	369.465	1.287	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCC[C@H](C)[NH+](C)C)cc1	ZINC000658421616	784008175	/nfs/dbraw/zinc/00/81/75/784008175.db2.gz	BGRIQZYQMTUGHC-ZDUSSCGKSA-N	1	0	361.446	1.389	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1	ZINC001024157263	784063472	/nfs/dbraw/zinc/06/34/72/784063472.db2.gz	KEWBSXSTKZSPSI-BRWVUGGUSA-N	1	0	363.502	1.294	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2nnnn2CCC)C1	ZINC001024164352	784152680	/nfs/dbraw/zinc/15/26/80/784152680.db2.gz	ANMBNKVSZGSYFQ-OAGGEKHMSA-N	1	0	362.478	1.002	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2nnc(C(C)C)[nH]2)C1	ZINC001024164702	784155599	/nfs/dbraw/zinc/15/55/99/784155599.db2.gz	FZQKXHPYQGJLFS-XHSDSOJGSA-N	1	0	361.490	1.847	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2nnc(CC)o2)C1	ZINC001024196394	784308041	/nfs/dbraw/zinc/30/80/41/784308041.db2.gz	SKQXMCIVOYLWIG-VKJFTORMSA-N	1	0	362.474	1.941	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCNS(=O)(=O)CC)C1	ZINC001112521061	784489340	/nfs/dbraw/zinc/48/93/40/784489340.db2.gz	LWJXXQIKZMNYEQ-WMZOPIPTSA-N	1	0	371.547	1.500	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)Cn2ccnc2C(C)C)C[C@H]1C	ZINC001104742847	791047530	/nfs/dbraw/zinc/04/75/30/791047530.db2.gz	OQPKWXNEYLCUBN-QZTJIDSGSA-N	1	0	360.502	1.731	20	30		FDEDRO
CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1	ZINC000364391210	785044994	/nfs/dbraw/zinc/04/49/94/785044994.db2.gz	YVQWWLKNTOYWCQ-RTBURBONSA-N	1	0	368.481	1.992	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(COC)CC2)C[C@H]1c1ccccc1	ZINC001211633237	785117714	/nfs/dbraw/zinc/11/77/14/785117714.db2.gz	UTODALVWKLEQPB-ZWKOTPCHSA-N	1	0	371.481	1.299	20	30		FDEDRO
C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1	ZINC000365073801	785272897	/nfs/dbraw/zinc/27/28/97/785272897.db2.gz	TXMUFGBXZSBQJZ-SFHVURJKSA-N	1	0	368.481	1.897	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O	ZINC000413834250	785494687	/nfs/dbraw/zinc/49/46/87/785494687.db2.gz	LPCSYDZWJGVODO-QZTJIDSGSA-N	1	0	358.486	1.813	20	30		FDEDRO
NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC#Cc4ccccc4)C[C@H]32)C1	ZINC000978710439	805685143	/nfs/dbraw/zinc/68/51/43/805685143.db2.gz	OFDSPYYSBFVWBK-IVDHNXQLSA-N	1	0	365.477	1.234	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4ccsc4)[C@@H]3C2)C1=O	ZINC001075511484	787393399	/nfs/dbraw/zinc/39/33/99/787393399.db2.gz	HURYYUAVOIUMRJ-YESZJQIVSA-N	1	0	359.495	1.610	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1C[C@H]1C(N)=O	ZINC001025083854	787772590	/nfs/dbraw/zinc/77/25/90/787772590.db2.gz	IPNDZZILAAOBPS-ZACQAIPSSA-N	1	0	358.417	1.289	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cncc(OC)n1	ZINC001025090590	787817873	/nfs/dbraw/zinc/81/78/73/787817873.db2.gz	LRAJTNJOOKTDRJ-ZACQAIPSSA-N	1	0	360.458	1.547	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(C(N)=O)c1	ZINC001025090693	787829321	/nfs/dbraw/zinc/82/93/21/787829321.db2.gz	OLUUXHORKPSHSY-QRVBRYPASA-N	1	0	371.481	1.847	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1	ZINC000978872238	805837225	/nfs/dbraw/zinc/83/72/25/805837225.db2.gz	XBFBCXASPLJQLD-SVMIPSPUSA-N	1	0	372.469	1.505	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1	ZINC000978873723	805840527	/nfs/dbraw/zinc/84/05/27/805840527.db2.gz	GKHZSSPWHZJATL-GJGATLCTSA-N	1	0	363.502	1.463	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](OC)c2cnn(C)c2)C[C@H]1c1ccccc1	ZINC001211642899	788095845	/nfs/dbraw/zinc/09/58/45/788095845.db2.gz	UJNWIOUOJZIYLM-ZCNNSNEGSA-N	1	0	366.465	1.715	20	30		FDEDRO
CN1CCN(Cc2ccccc2)[C@@H](C[NH2+]C[C@H](O)c2ccc(C#N)cc2)C1	ZINC000694783940	788311252	/nfs/dbraw/zinc/31/12/52/788311252.db2.gz	XGRQAOJYOBTFHH-VXKWHMMOSA-N	1	0	364.493	1.997	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)c1ccco1)C2	ZINC001112528597	805906783	/nfs/dbraw/zinc/90/67/83/805906783.db2.gz	IURSMINFBYRHCU-GUXCAODWSA-N	1	0	357.454	1.351	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1	ZINC001104594573	788784179	/nfs/dbraw/zinc/78/41/79/788784179.db2.gz	KTWNBALDRNELCX-RHSMWYFYSA-N	1	0	365.437	1.530	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1	ZINC000973368112	788794275	/nfs/dbraw/zinc/79/42/75/788794275.db2.gz	MGIPKHPIJRZTHU-TXTZMMAHSA-N	1	0	363.502	1.319	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CNC(=O)CC2CCCC2)C[C@H]1c1ccccc1	ZINC001211687883	805914165	/nfs/dbraw/zinc/91/41/65/805914165.db2.gz	DXWMLEKSAUDSHT-VQTJNVASSA-N	1	0	367.493	1.900	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000978932700	805915052	/nfs/dbraw/zinc/91/50/52/805915052.db2.gz	FDCXOAGUFSFMIO-WCXIOVBPSA-N	1	0	358.486	1.639	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(=O)c2ccccc2)C[C@H]1C	ZINC001104614256	788893616	/nfs/dbraw/zinc/89/36/16/788893616.db2.gz	CFAMNQORLJRMFH-IEBWSBKVSA-N	1	0	355.482	1.856	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](Cc2c[nH]cn2)NC(C)=O)C[C@H]1C	ZINC001104619531	788919583	/nfs/dbraw/zinc/91/95/83/788919583.db2.gz	CIFOXOYVQIGIBX-KYJSFNMBSA-N	1	0	361.490	1.107	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2CCC(F)CC2)C[C@H]1C	ZINC001104632466	789061099	/nfs/dbraw/zinc/06/10/99/789061099.db2.gz	ADHWCTQVICBOCE-KZYLPZIUSA-N	1	0	351.466	1.338	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1	ZINC001104643510	789099310	/nfs/dbraw/zinc/09/93/10/789099310.db2.gz	SWCJXUBCIDAHSW-FPDPHYFHSA-N	1	0	368.481	1.801	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2conc2CC)C[C@H]1C	ZINC001104645404	789125477	/nfs/dbraw/zinc/12/54/77/789125477.db2.gz	CLTJRRJDJHJLFB-QLFBSQMISA-N	1	0	360.458	1.063	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ccnn3C)C2)c1	ZINC001104659656	789181908	/nfs/dbraw/zinc/18/19/08/789181908.db2.gz	RPBYKYGWBBYXRD-NVXWUHKLSA-N	1	0	351.454	1.684	20	30		FDEDRO
CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)ccc1OC	ZINC000376605028	789183542	/nfs/dbraw/zinc/18/35/42/789183542.db2.gz	ZLKPZZHDTFSGJU-SJORKVTESA-N	1	0	372.469	1.382	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1)c1cccs1	ZINC001104669986	789277746	/nfs/dbraw/zinc/27/77/46/789277746.db2.gz	MHLYFYDEAIBNGE-RBSFLKMASA-N	1	0	362.499	1.566	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2OC)C[C@H]1c1ccccc1	ZINC001211647052	789314552	/nfs/dbraw/zinc/31/45/52/789314552.db2.gz	RNFYNEINOMDEDB-FUHWJXTLSA-N	1	0	352.438	1.650	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2ccc(CC)cn2)C[C@H]1C	ZINC001104703247	789525676	/nfs/dbraw/zinc/52/56/76/789525676.db2.gz	QIFDTEDPBZLHSY-SJLPKXTDSA-N	1	0	370.497	1.010	20	30		FDEDRO
C[NH+](C)[C@H]1CCc2ccccc2[C@H]1NC(=O)NCCn1cnc(C#N)n1	ZINC000376666765	789622547	/nfs/dbraw/zinc/62/25/47/789622547.db2.gz	LKBXMSGSNABOGL-DOTOQJQBSA-N	1	0	353.430	1.067	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1	ZINC000415016195	791204070	/nfs/dbraw/zinc/20/40/70/791204070.db2.gz	BUGJVDHZZUTBTD-CQSZACIVSA-N	1	0	359.430	1.276	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CCNC(=O)N2CCO[C@](C)(C#N)C2)cc1	ZINC000892809217	791305301	/nfs/dbraw/zinc/30/53/01/791305301.db2.gz	KTAZLDVGCDRHIU-LJQANCHMSA-N	1	0	360.458	1.494	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4c(c3)[nH]c(=O)n4C)[C@H]2C1	ZINC001083285297	791785778	/nfs/dbraw/zinc/78/57/78/791785778.db2.gz	LZHUZUKRIILCOJ-DLBZAZTESA-N	1	0	356.426	1.380	20	30		FDEDRO
CC(C)(C)c1cc(NC(=O)C(=O)NCC[NH3+])n(-c2ccc(C#N)cc2)n1	ZINC000415271710	791812204	/nfs/dbraw/zinc/81/22/04/791812204.db2.gz	QWWMSIXFMPLZSE-UHFFFAOYSA-N	1	0	354.414	1.055	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CCCO)CC[C@@H]2c2ccccc2)c1	ZINC001087424932	806102054	/nfs/dbraw/zinc/10/20/54/806102054.db2.gz	XTAYRDIZLCZFCK-IEBWSBKVSA-N	1	0	352.438	1.857	20	30		FDEDRO
CCCc1c(NC(=O)C(=O)NCC[NH2+]CC)cnn1-c1cccc(C#N)c1	ZINC000415364057	792054112	/nfs/dbraw/zinc/05/41/12/792054112.db2.gz	GAJFOLAMPOLYLY-UHFFFAOYSA-N	1	0	368.441	1.361	20	30		FDEDRO
C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1	ZINC000415377238	792117622	/nfs/dbraw/zinc/11/76/22/792117622.db2.gz	NUQDROOFKAANIM-LJQANCHMSA-N	1	0	362.433	1.630	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1	ZINC000415435393	792264945	/nfs/dbraw/zinc/26/49/45/792264945.db2.gz	JJELSXQCVHVBFB-ZIAGYGMSSA-N	1	0	373.457	1.518	20	30		FDEDRO
CCC[NH2+]CCNC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N	ZINC000415520356	792430177	/nfs/dbraw/zinc/43/01/77/792430177.db2.gz	RKPGJXIUANXZST-UHFFFAOYSA-N	1	0	367.409	1.800	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccsc2)C[C@H]1C(F)(F)F	ZINC001112037750	792438141	/nfs/dbraw/zinc/43/81/41/792438141.db2.gz	OFDPBSNGBJKXSS-ZIAGYGMSSA-N	1	0	360.401	1.919	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](F)C(C)C)C[C@H]1c1ccccc1	ZINC001211650441	792507647	/nfs/dbraw/zinc/50/76/47/792507647.db2.gz	IHMDUKFUCMXCNU-SCTDSRPQSA-N	1	0	361.461	1.867	20	30		FDEDRO
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@@H](C)CC[NH3+]	ZINC000415581034	792595213	/nfs/dbraw/zinc/59/52/13/792595213.db2.gz	RXGHDPBBUXVCHE-ZDUSSCGKSA-N	1	0	367.409	1.846	20	30		FDEDRO
N#CC1(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)COC1	ZINC000893041630	792622358	/nfs/dbraw/zinc/62/23/58/792622358.db2.gz	MMUBJWKBLIPEQO-FXAWDEMLSA-N	1	0	356.422	1.608	20	30		FDEDRO
C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000415646917	792742510	/nfs/dbraw/zinc/74/25/10/792742510.db2.gz	DRQXPLHHIPZWAS-BXKDBHETSA-N	1	0	370.331	1.510	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)cc1C(F)(F)F	ZINC000415863340	793208581	/nfs/dbraw/zinc/20/85/81/793208581.db2.gz	RFLKYYWFNMEDJN-LBPRGKRZSA-N	1	0	370.331	1.092	20	30		FDEDRO
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCC(O)(C[NH3+])CC1	ZINC000415876463	793257048	/nfs/dbraw/zinc/25/70/48/793257048.db2.gz	CLTYRCALIYTXSW-UHFFFAOYSA-N	1	0	359.470	1.789	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN([C@H](C)c3nnc(C)o3)C[C@H]21	ZINC001026096582	793287936	/nfs/dbraw/zinc/28/79/36/793287936.db2.gz	ZRVKHAVZIRMVOJ-AJBGAQICSA-N	1	0	360.458	1.857	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](O)C3CCCCC3)C[C@H]21	ZINC001026101700	793301933	/nfs/dbraw/zinc/30/19/33/793301933.db2.gz	AEDWJZOHRXOUMI-XHHHBCLVSA-N	1	0	362.514	1.955	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1	ZINC000415948275	793417858	/nfs/dbraw/zinc/41/78/58/793417858.db2.gz	CFLBRJIVXUWTDM-UHFFFAOYSA-N	1	0	368.441	1.773	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC[C@@H]3CCCO3)C2)nn1	ZINC001104769108	793554858	/nfs/dbraw/zinc/55/48/58/793554858.db2.gz	DKFRPQQXWWMRJA-ZACQAIPSSA-N	1	0	361.490	1.721	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]C[C@@H]3CCCOC3)C2)nn1	ZINC001104769211	793555615	/nfs/dbraw/zinc/55/56/15/793555615.db2.gz	JVUAHFVPWHXJPH-IXDOHACOSA-N	1	0	361.490	1.579	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+]C[C@]3(N4CCOCC4)CCCOC3)n2c1	ZINC000378144868	793570117	/nfs/dbraw/zinc/57/01/17/793570117.db2.gz	AJWRLEPBMUMKKT-LJQANCHMSA-N	1	0	355.442	1.177	20	30		FDEDRO
CNC(=O)C1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC#Cc3ccccc3)C2)CC1	ZINC001104790512	793702297	/nfs/dbraw/zinc/70/22/97/793702297.db2.gz	VFOLWWXSLJUAQO-IEBWSBKVSA-N	1	0	367.493	1.639	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(C)CCOCC2)C[C@H]1C	ZINC001104795983	793728362	/nfs/dbraw/zinc/72/83/62/793728362.db2.gz	CJUHXWWQERBYKG-IXDOHACOSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2(C)CCOCC2)C[C@H]1C	ZINC001104797790	793756632	/nfs/dbraw/zinc/75/66/32/793756632.db2.gz	HLWLXBBOWOALPN-HZPDHXFCSA-N	1	0	351.491	1.180	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnon2)C[C@H]1CC[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001104817150	793874065	/nfs/dbraw/zinc/87/40/65/793874065.db2.gz	ZQHAXZNWZFHJRV-IUODEOHRSA-N	1	0	357.389	1.968	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ncccc2F)C[C@H]1C	ZINC001104835736	793983560	/nfs/dbraw/zinc/98/35/60/793983560.db2.gz	FOQRGGLLZGAORQ-QLFBSQMISA-N	1	0	362.449	1.599	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cc(-n3ccnc3)ccn2)C[C@H]1C	ZINC001104869052	794141131	/nfs/dbraw/zinc/14/11/31/794141131.db2.gz	USRSRGOJEKLRPL-IAGOWNOFSA-N	1	0	351.454	1.978	20	30		FDEDRO
Cc1cc(NCC[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)n2ncnc2n1	ZINC000378456603	794172527	/nfs/dbraw/zinc/17/25/27/794172527.db2.gz	PALLVIQQPOSFPY-QXSJWSMHSA-N	1	0	355.446	1.674	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@](C)(NC(C)=O)C2CC2)C[C@H]1C	ZINC001104896628	794279082	/nfs/dbraw/zinc/27/90/82/794279082.db2.gz	IGOOIZQWKGTFPW-WRWLIDTKSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)c2cccn3c(=O)[nH]nc23)C[C@H]1C	ZINC001104901607	794306690	/nfs/dbraw/zinc/30/66/90/794306690.db2.gz	IECNAVCHVRYTFC-DGCLKSJQSA-N	1	0	363.849	1.875	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)C[C@H]1C	ZINC001104905602	794326947	/nfs/dbraw/zinc/32/69/47/794326947.db2.gz	MIZOZSOHQVCRCP-BZUAXINKSA-N	1	0	368.522	1.346	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](C)OC)C1	ZINC001104921581	794403909	/nfs/dbraw/zinc/40/39/09/794403909.db2.gz	IZJLXBRGYCXNNA-BRWVUGGUSA-N	1	0	359.470	1.816	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnn(C)c3)C2)nc1	ZINC001104923474	794416410	/nfs/dbraw/zinc/41/64/10/794416410.db2.gz	FSZKOCUFRMWFFM-CRAIPNDOSA-N	1	0	351.454	1.684	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnns3)C2)nc1	ZINC001104924499	794422117	/nfs/dbraw/zinc/42/21/17/794422117.db2.gz	OZRRVCBNCOWSFS-UKRRQHHQSA-N	1	0	355.467	1.802	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nncs3)C2)cn1	ZINC001104927524	794434672	/nfs/dbraw/zinc/43/46/72/794434672.db2.gz	HYPCJQMYASKOOM-UKRRQHHQSA-N	1	0	355.467	1.802	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)N(C)C)C1	ZINC001104952090	794535956	/nfs/dbraw/zinc/53/59/56/794535956.db2.gz	FZOXEVCLCYQGNA-FUHIMQAGSA-N	1	0	369.509	1.761	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2c(C)nn(C)c2F)C[C@H]1C	ZINC001104961546	794590552	/nfs/dbraw/zinc/59/05/52/794590552.db2.gz	JJOXGBSKSWTMQR-UKRRQHHQSA-N	1	0	350.438	1.205	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccccc2OCC)C[C@H]1C	ZINC001104968682	794627373	/nfs/dbraw/zinc/62/73/73/794627373.db2.gz	QZFPSXRGJMEPPR-IAGOWNOFSA-N	1	0	371.481	1.523	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1	ZINC000974179893	794636559	/nfs/dbraw/zinc/63/65/59/794636559.db2.gz	HLJAHTPSRPEVCN-YVSFHVDLSA-N	1	0	363.502	1.605	20	30		FDEDRO
Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)c(C)c1	ZINC001104971153	794657833	/nfs/dbraw/zinc/65/78/33/794657833.db2.gz	BBUJFQVNRXAEHN-IAGOWNOFSA-N	1	0	356.470	1.631	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)c2cccc(F)c2)C[C@H]1C	ZINC001104976128	794693007	/nfs/dbraw/zinc/69/30/07/794693007.db2.gz	GGQLWVKESZZYHV-NVXWUHKLSA-N	1	0	359.445	1.653	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)Cc2ccccc2)C[C@H]1C	ZINC001104980835	794723182	/nfs/dbraw/zinc/72/31/82/794723182.db2.gz	RLIPILOXPZJLSQ-IEBWSBKVSA-N	1	0	355.482	1.443	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2sc(C)nc2C)C[C@H]1C	ZINC001104988837	794749107	/nfs/dbraw/zinc/74/91/07/794749107.db2.gz	KJDUBZPUGAAYGQ-IUODEOHRSA-N	1	0	364.515	1.750	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C[C@H]1C	ZINC001104997366	794810236	/nfs/dbraw/zinc/81/02/36/794810236.db2.gz	ZJXNXHPBRCPBPS-KURKYZTESA-N	1	0	359.514	1.875	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1	ZINC000974226148	794825111	/nfs/dbraw/zinc/82/51/11/794825111.db2.gz	NOHTYXOMJMRHHH-ILOCAZANSA-N	1	0	363.502	1.604	20	30		FDEDRO
CCn1cc(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC#CCOC)C2)cn1	ZINC001112070935	794851628	/nfs/dbraw/zinc/85/16/28/794851628.db2.gz	LFIYDDFSQDFSLR-ZIAGYGMSSA-N	1	0	358.364	1.145	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CCNC(=O)c2cnccn2)C[C@H]1C	ZINC001105030914	794978258	/nfs/dbraw/zinc/97/82/58/794978258.db2.gz	AEJPHNRQIDSDTM-HZPDHXFCSA-N	1	0	359.474	1.247	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2c(C)cc(=O)[nH]c2C)C[C@H]1C	ZINC001105041967	795026189	/nfs/dbraw/zinc/02/61/89/795026189.db2.gz	KQWDYDAKEQKZIO-NVXWUHKLSA-N	1	0	359.470	1.742	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)N2CCCCC2=O)C[C@H]1C	ZINC001105054336	795075468	/nfs/dbraw/zinc/07/54/68/795075468.db2.gz	RJAHYZGLGZSGDQ-KZNAEPCWSA-N	1	0	363.502	1.111	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccc(F)s2)C[C@H]1C	ZINC001105098690	795286157	/nfs/dbraw/zinc/28/61/57/795286157.db2.gz	OABDLNQWRNRZPI-HZSPNIEDSA-N	1	0	365.474	1.713	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCCOC(C)C)C[C@H]1C	ZINC001105100537	795291563	/nfs/dbraw/zinc/29/15/63/795291563.db2.gz	YAELWUSOPCBAIQ-IAGOWNOFSA-N	1	0	353.507	1.568	20	30		FDEDRO
C#CC[C@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1)c1ccccc1	ZINC001105111342	795322312	/nfs/dbraw/zinc/32/23/12/795322312.db2.gz	UNAQXNICWRFCAX-BHIYHBOVSA-N	1	0	355.482	1.743	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)C2CCOCC2)C[C@H]1C	ZINC001105121263	795348996	/nfs/dbraw/zinc/34/89/96/795348996.db2.gz	SDQTTWGYWLVRST-JFIYKMOQSA-N	1	0	365.518	1.426	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CCCCCS(N)(=O)=O)C[C@H]1C	ZINC001105125342	795364234	/nfs/dbraw/zinc/36/42/34/795364234.db2.gz	JRDVDZKMAUOERW-HZPDHXFCSA-N	1	0	359.536	1.486	20	30		FDEDRO
N#Cc1cc(C[NH2+]C2CCC(NC(=O)[C@H]3C[C@H]3C(N)=O)CC2)ccc1F	ZINC001026561552	795547775	/nfs/dbraw/zinc/54/77/75/795547775.db2.gz	ILWFETMFUPRKAF-FJBKBRRZSA-N	1	0	358.417	1.336	20	30		FDEDRO
C=CCOc1ccc(CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc1	ZINC000418169163	795594155	/nfs/dbraw/zinc/59/41/55/795594155.db2.gz	PKZLZKVRJAIVIG-INIZCTEOSA-N	1	0	360.458	1.248	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)nc[nH]c2=O)C[C@H]1c1ccccc1	ZINC001211655700	795746402	/nfs/dbraw/zinc/74/64/02/795746402.db2.gz	UROMJVSPLCWJOG-DLBZAZTESA-N	1	0	350.422	1.712	20	30		FDEDRO
C=CCOCCCNC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1	ZINC000660385599	795842086	/nfs/dbraw/zinc/84/20/86/795842086.db2.gz	KAJZKBYTFMYVJH-UHFFFAOYSA-N	1	0	360.502	1.826	20	30		FDEDRO
CC(C)[C@@H]([NH3+])CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000418401007	795869745	/nfs/dbraw/zinc/86/97/45/795869745.db2.gz	HTUVNCWOEAEDHZ-KRWDZBQOSA-N	1	0	357.458	1.902	20	30		FDEDRO
CCCC[C@H](C[NH3+])NC(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000418461767	795947151	/nfs/dbraw/zinc/94/71/51/795947151.db2.gz	JMIVFLMEENLERM-IQUTYRLHSA-N	1	0	355.442	1.559	20	30		FDEDRO
Cc1onc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1C#N	ZINC000500403781	796067376	/nfs/dbraw/zinc/06/73/76/796067376.db2.gz	BGKKLYXIQVCUAH-SJLPKXTDSA-N	1	0	368.437	1.396	20	30		FDEDRO
Cc1onc(CC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1C#N	ZINC000500410149	796092859	/nfs/dbraw/zinc/09/28/59/796092859.db2.gz	RRMQZXOQPPXTDQ-HZPDHXFCSA-N	1	0	354.410	1.149	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CC/C=C\CC)nn2)C1	ZINC001105328739	796118007	/nfs/dbraw/zinc/11/80/07/796118007.db2.gz	SXDSHNPLIPOWRS-WIJVFFIESA-N	1	0	359.474	1.698	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cn1	ZINC000728862039	806611594	/nfs/dbraw/zinc/61/15/94/806611594.db2.gz	ZYGRYISZFPVRDE-UHFFFAOYSA-N	1	0	370.497	1.619	20	30		FDEDRO
C=CC[C@@]1(C(=O)N(CC)CC(=O)Nc2ccc3c(c2)OCCO3)CCC[NH2+]1	ZINC000662442288	806626434	/nfs/dbraw/zinc/62/64/34/806626434.db2.gz	JTGTUAPWODFVRY-FQEVSTJZSA-N	1	0	373.453	1.943	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]3C2)cn1	ZINC000974590995	799859670	/nfs/dbraw/zinc/85/96/70/799859670.db2.gz	KQRSWQXYHAOCPM-BPQIPLTHSA-N	1	0	354.454	1.076	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)nc1	ZINC000974681885	800077057	/nfs/dbraw/zinc/07/70/57/800077057.db2.gz	WHBCPYCGPKMESC-IEBWSBKVSA-N	1	0	366.465	1.078	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1c1ccccc1	ZINC001211659525	800085122	/nfs/dbraw/zinc/08/51/22/800085122.db2.gz	LWJVBOLWMGVPOP-FUHWJXTLSA-N	1	0	368.437	1.170	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]3C2)cn1	ZINC000974690122	800092951	/nfs/dbraw/zinc/09/29/51/800092951.db2.gz	OAPGDVWSMVTLDT-BHIYHBOVSA-N	1	0	368.481	1.322	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCN(C(=O)c3c(F)cccc3F)CC2)CCC[NH2+]1	ZINC000662543262	806827929	/nfs/dbraw/zinc/82/79/29/806827929.db2.gz	UFKBEIKWIFCNPB-LJQANCHMSA-N	1	0	363.408	1.948	20	30		FDEDRO
C=CC[C@@]1(C(=O)N[C@H](C)c2ccc(S(=O)(=O)NC)cc2)CCC[NH2+]1	ZINC000662531809	806832860	/nfs/dbraw/zinc/83/28/60/806832860.db2.gz	JEZWAGCJTXTVEI-DYVFJYSZSA-N	1	0	351.472	1.470	20	30		FDEDRO
Cc1c(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)[C@@H]3C2)ccc2c[nH+]cn21	ZINC000974984182	800684453	/nfs/dbraw/zinc/68/44/53/800684453.db2.gz	BTIGLSQCXQKIEH-DXCKQFNASA-N	1	0	351.410	1.475	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)CC1	ZINC000660597935	800692416	/nfs/dbraw/zinc/69/24/16/800692416.db2.gz	SVKBBVFMHFNIKY-MRXNPFEDSA-N	1	0	351.495	1.424	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CC1(C)C	ZINC000975039434	800753401	/nfs/dbraw/zinc/75/34/01/800753401.db2.gz	PNNWMUQSQSUMRE-KSZLIROESA-N	1	0	368.481	1.609	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ncnn2C(C)(C)C)C1	ZINC001027075261	800887626	/nfs/dbraw/zinc/88/76/26/800887626.db2.gz	PKNIKLSPDXNORC-XHSDSOJGSA-N	1	0	361.490	1.562	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc3nonc3c2)C1	ZINC001027075839	800890859	/nfs/dbraw/zinc/89/08/59/800890859.db2.gz	CFFDGUXLBKAKPD-RKVPGOIHSA-N	1	0	356.426	1.752	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccnc(OC)n2)C1	ZINC001027116751	801011473	/nfs/dbraw/zinc/01/14/73/801011473.db2.gz	IQYIOGBNXPUVIY-PVAVHDDUSA-N	1	0	360.458	1.405	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nc(CCC)no2)C1	ZINC001027117430	801016787	/nfs/dbraw/zinc/01/67/87/801016787.db2.gz	YEEZUUDYWCZIAZ-MPGHIAIKSA-N	1	0	362.474	1.941	20	30		FDEDRO
C=CC[C@]1(C(=O)N[C@H]2CCN(Cc3ccc(OC)cc3)C2=O)CCC[NH2+]1	ZINC000662616358	806881946	/nfs/dbraw/zinc/88/19/46/806881946.db2.gz	SRCGHMBEEGOXOT-FXAWDEMLSA-N	1	0	357.454	1.611	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@H]2C1	ZINC000975620297	801764558	/nfs/dbraw/zinc/76/45/58/801764558.db2.gz	MOMCNFGHQRTJFX-XKQJLSEDSA-N	1	0	355.442	1.044	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]32)C1	ZINC000975671538	801906429	/nfs/dbraw/zinc/90/64/29/801906429.db2.gz	XPRQEJQCAPZEJK-VKJFTORMSA-N	1	0	369.469	1.291	20	30		FDEDRO
C[NH+](C)[C@@H](C(=O)N1CC[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@H]2C1)C1CC1	ZINC000975758251	802280895	/nfs/dbraw/zinc/28/08/95/802280895.db2.gz	JVKVJNUULIKIAX-DOPJRALCSA-N	1	0	369.469	1.290	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CCN(C(=O)C#CC4CC4)[C@H]3C2)C1	ZINC000975758337	802281005	/nfs/dbraw/zinc/28/10/05/802281005.db2.gz	KJZJKVLUIZMMSB-ZCNNSNEGSA-N	1	0	371.525	1.827	20	30		FDEDRO
C[NH+](C)C1(C(=O)N2CC[C@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@H]3C2)CCC1	ZINC000975759882	802288423	/nfs/dbraw/zinc/28/84/23/802288423.db2.gz	BKOXBEFDWHUHDI-YOEHRIQHSA-N	1	0	369.469	1.434	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2nccs2)C[C@H]1c1ccccc1	ZINC001211695047	806979247	/nfs/dbraw/zinc/97/92/47/806979247.db2.gz	HSMFQZYWHFIZAZ-JKSUJKDBSA-N	1	0	368.462	1.090	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]32)[nH]1	ZINC000975822990	802526465	/nfs/dbraw/zinc/52/64/65/802526465.db2.gz	ZNJAQLXWLAVMMH-YOEHRIQHSA-N	1	0	367.453	1.045	20	30		FDEDRO
CC(C)[C@H](C(=O)N1CC[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@H]2C1)[NH+](C)C	ZINC000975840065	802562433	/nfs/dbraw/zinc/56/24/33/802562433.db2.gz	HBXKNCJKTLZGMO-JCGIZDLHSA-N	1	0	371.485	1.536	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)c(OC)c1	ZINC000647706501	802787722	/nfs/dbraw/zinc/78/77/22/802787722.db2.gz	KKNZJSJFORYOLE-DLBZAZTESA-N	1	0	360.454	1.470	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)C[NH+]3CCCC3)[C@H]2C1	ZINC000976050412	802898943	/nfs/dbraw/zinc/89/89/43/802898943.db2.gz	MZDZKJUECUXSLC-MHORFTMASA-N	1	0	361.486	1.123	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H](C)C2CC2)CC1	ZINC000976467227	803399011	/nfs/dbraw/zinc/39/90/11/803399011.db2.gz	HKODWXRIYZNBAP-KFKAGJAMSA-N	1	0	359.514	1.921	20	30		FDEDRO
C=CC[C@]1(C(=O)N[C@@H](C)CCNS(=O)(=O)c2ccccc2)CCC[NH2+]1	ZINC000662813372	803431213	/nfs/dbraw/zinc/43/12/13/803431213.db2.gz	ZSOJLLAUJKEUDZ-MAUKXSAKSA-N	1	0	365.499	1.558	20	30		FDEDRO
C=CC[C@@]1(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)CCC[NH2+]1	ZINC000662819557	803479994	/nfs/dbraw/zinc/47/99/94/803479994.db2.gz	HNDVIJRFGFRTTG-DYVFJYSZSA-N	1	0	350.440	1.036	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(C#N)c2)C1	ZINC000976555657	803517099	/nfs/dbraw/zinc/51/70/99/803517099.db2.gz	KFBSWNJCZBFNOJ-KBRIMQKVSA-N	1	0	357.458	1.385	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]21	ZINC000976572836	803541208	/nfs/dbraw/zinc/54/12/08/803541208.db2.gz	JLVZYMSECNEURF-MNWMBMHPSA-N	1	0	361.486	1.025	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC000976695923	803768624	/nfs/dbraw/zinc/76/86/24/803768624.db2.gz	JPPAAQZUKVUEMD-VAMGGRTRSA-N	1	0	367.493	1.706	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1	ZINC000423122229	814966162	/nfs/dbraw/zinc/96/61/62/814966162.db2.gz	JQYLOZPYMAHIPK-HNNXBMFYSA-N	1	0	356.470	1.883	20	30		FDEDRO
C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1	ZINC000423153000	814975607	/nfs/dbraw/zinc/97/56/07/814975607.db2.gz	MRALRQDHHDPSTM-FQEVSTJZSA-N	1	0	370.453	1.125	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1	ZINC000423172726	814988137	/nfs/dbraw/zinc/98/81/37/814988137.db2.gz	UWMZXMAACLKJSQ-DOTOQJQBSA-N	1	0	359.470	1.796	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(C(C)C)CC2)C[C@H]1c1ccccc1	ZINC001211670933	804552788	/nfs/dbraw/zinc/55/27/88/804552788.db2.gz	PNYUHIKPJSTFKW-RBUKOAKNSA-N	1	0	367.493	1.756	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)C(F)F)C2	ZINC001112526474	804803042	/nfs/dbraw/zinc/80/30/42/804803042.db2.gz	JTUNHTVVMMSNJM-TYILLQQXSA-N	1	0	369.456	1.634	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H]2CN(C)C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC000977584629	804857059	/nfs/dbraw/zinc/85/70/59/804857059.db2.gz	LZMFEGMKZJLHDS-YESZJQIVSA-N	1	0	357.458	1.290	20	30		FDEDRO
CC#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2cnn(C)c2)C1	ZINC001087423206	805078386	/nfs/dbraw/zinc/07/83/86/805078386.db2.gz	OQXGTNUNVBGINN-WOJBJXKFSA-N	1	0	350.466	1.960	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1c1ccccc1	ZINC001211674725	805156379	/nfs/dbraw/zinc/15/63/79/805156379.db2.gz	HVMVIIXTCQSSSZ-UEXGIBASSA-N	1	0	371.481	1.299	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCn3cccn3)C2)c1	ZINC001112527303	805161294	/nfs/dbraw/zinc/16/12/94/805161294.db2.gz	XOCUYYCSTLSCJU-FPOVZHCZSA-N	1	0	363.465	1.792	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCn2nc(C)nc2C)C1	ZINC001027585981	805177301	/nfs/dbraw/zinc/17/73/01/805177301.db2.gz	UHNUUPJFXBNSEL-KURKYZTESA-N	1	0	361.490	1.409	20	30		FDEDRO
N#Cc1cc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@]45C[C@H]4COC5)[C@@H]3C2)ccc1F	ZINC000978166623	805233005	/nfs/dbraw/zinc/23/30/05/805233005.db2.gz	LNVHRIKWRPLBPB-ZTTBQOKTSA-N	1	0	355.413	1.528	20	30		FDEDRO
C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CCC(OCCC[NH3+])CC1	ZINC000423380322	815059629	/nfs/dbraw/zinc/05/96/29/815059629.db2.gz	YHWPJDRLIDAMMY-UHFFFAOYSA-N	1	0	373.497	1.948	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1	ZINC001087430095	807043666	/nfs/dbraw/zinc/04/36/66/807043666.db2.gz	WEUCCIMQXCECKB-IEBWSBKVSA-N	1	0	366.465	1.944	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3ccccn3)C2)CC1	ZINC000980788203	807184829	/nfs/dbraw/zinc/18/48/29/807184829.db2.gz	AWCDVTCTCNBXRE-FUHWJXTLSA-N	1	0	368.481	1.442	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCOC2)C[C@H]1c1ccccc1	ZINC001211696636	807218810	/nfs/dbraw/zinc/21/88/10/807218810.db2.gz	LRXHFJAIJOEDEA-WAOWUJCRSA-N	1	0	371.481	1.299	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccc3nnnn3c2)C1	ZINC001087432223	807280451	/nfs/dbraw/zinc/28/04/51/807280451.db2.gz	CMZIUYGFGJUSFF-QZTJIDSGSA-N	1	0	362.437	1.898	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)C2CC2)cc1	ZINC000423556618	815133391	/nfs/dbraw/zinc/13/33/91/815133391.db2.gz	BRUJTTYBJCRXKT-SJLPKXTDSA-N	1	0	352.438	1.260	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1	ZINC000423569541	815139560	/nfs/dbraw/zinc/13/95/60/815139560.db2.gz	YDLGQGSYDRVVDU-HNAYVOBHSA-N	1	0	366.465	1.760	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1	ZINC001087433907	807755651	/nfs/dbraw/zinc/75/56/51/807755651.db2.gz	LYHBDGWEKCSAQC-GUDVDZBRSA-N	1	0	370.497	1.951	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3n[nH]cc3C)C2)CC1	ZINC000981313573	807896139	/nfs/dbraw/zinc/89/61/39/807896139.db2.gz	NPWWWYCULACBCR-DOTOQJQBSA-N	1	0	371.485	1.078	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1	ZINC000981376154	807976444	/nfs/dbraw/zinc/97/64/44/807976444.db2.gz	JSZMKBCSONUPRM-PWIZWCRZSA-N	1	0	367.493	1.563	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCc3nnnn3CC1)C2	ZINC001112533063	808089922	/nfs/dbraw/zinc/08/99/22/808089922.db2.gz	MFAHMOCKHLHOCQ-BXWFABGCSA-N	1	0	358.490	1.420	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@@H]3CC34CC4)C2)CC1	ZINC000981544620	808114886	/nfs/dbraw/zinc/11/48/86/808114886.db2.gz	MGCDJURAQWRROH-JQHSSLGASA-N	1	0	357.498	1.533	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3ccncc3)C2)CC1	ZINC000981544687	808115162	/nfs/dbraw/zinc/11/51/62/808115162.db2.gz	OHIUDLWSRJIQES-QFBILLFUSA-N	1	0	368.481	1.442	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)C3CC4(CC4)C3)C2)CC1	ZINC000981544638	808115269	/nfs/dbraw/zinc/11/52/69/808115269.db2.gz	MYNGJFKOYUJQBI-QFBILLFUSA-N	1	0	371.525	1.923	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)COC)C[C@H]1c1ccccc1	ZINC001211700699	808426712	/nfs/dbraw/zinc/42/67/12/808426712.db2.gz	QEQPQXBNBNVOJS-YZGWKJHDSA-N	1	0	358.482	1.893	20	30		FDEDRO
C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CN(c4ccccn4)C[C@H]3C)C2)C1	ZINC000981775257	808470850	/nfs/dbraw/zinc/47/08/50/808470850.db2.gz	ZDNCEXRPEIOUOL-QZTJIDSGSA-N	1	0	352.482	1.712	20	30		FDEDRO
CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCOCc1ccc(C#N)cc1	ZINC000423726916	815216639	/nfs/dbraw/zinc/21/66/39/815216639.db2.gz	USNXNFYISIKETP-SFHVURJKSA-N	1	0	372.469	1.134	20	30		FDEDRO
C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCO[C@H]3c3nccn3C)C2)C1	ZINC000981820492	808555402	/nfs/dbraw/zinc/55/54/02/808555402.db2.gz	AFZHBHPLGHNNPB-IAGOWNOFSA-N	1	0	356.470	1.445	20	30		FDEDRO
C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(C)CCOCc2ccc(C#N)cc2)C1	ZINC000423741221	815221379	/nfs/dbraw/zinc/22/13/79/815221379.db2.gz	SPDMWLVQKABAEW-QAPCUYQASA-N	1	0	372.469	1.119	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)nc1	ZINC000981843856	808607913	/nfs/dbraw/zinc/60/79/13/808607913.db2.gz	XAFZMIDMAKXPNV-DLBZAZTESA-N	1	0	366.465	1.173	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1	ZINC000981869617	808670592	/nfs/dbraw/zinc/67/05/92/808670592.db2.gz	INMDGNAGOJEIHB-QXAKKESOSA-N	1	0	353.466	1.634	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCCc1nc(C)no1	ZINC001028195177	808969115	/nfs/dbraw/zinc/96/91/15/808969115.db2.gz	LCLDAVWEORRYCF-RYRKJORJSA-N	1	0	362.474	1.872	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CNC(=O)c2ccccc2)C[C@H]1c1ccccc1	ZINC001211713460	809069875	/nfs/dbraw/zinc/06/98/75/809069875.db2.gz	MNQBTZWAECQQHS-VQTJNVASSA-N	1	0	361.445	1.634	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cncc(C(N)=O)c2)C[C@H]1c1ccccc1	ZINC001211724126	809339980	/nfs/dbraw/zinc/33/99/80/809339980.db2.gz	NGMOTEAETAVZHX-RBUKOAKNSA-N	1	0	362.433	1.402	20	30		FDEDRO
COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)NCC(C)(C)CC#N)cc1	ZINC000418975403	809356806	/nfs/dbraw/zinc/35/68/06/809356806.db2.gz	SRJZZJOKKVVGLI-IRXDYDNUSA-N	1	0	372.469	1.313	20	30		FDEDRO
CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	ZINC000419028125	809423954	/nfs/dbraw/zinc/42/39/54/809423954.db2.gz	DMXKVMMCFKYBQK-JCYILVPMSA-N	1	0	372.469	1.464	20	30		FDEDRO
C=CC[C@H](CC)NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1	ZINC000419130519	809592269	/nfs/dbraw/zinc/59/22/69/809592269.db2.gz	CHYXNQPIYFWDLG-CGTJXYLNSA-N	1	0	359.470	1.728	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCN(C(C)=O)C2)C1	ZINC001087442407	809688566	/nfs/dbraw/zinc/68/85/66/809688566.db2.gz	HXHVZRASMAEUEC-PWRODBHTSA-N	1	0	367.493	1.852	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NCc1cccc(OCCN2CCOCC2)c1	ZINC000424142722	815317327	/nfs/dbraw/zinc/31/73/27/815317327.db2.gz	DVLFSGKIYXOQDB-SFHVURJKSA-N	1	0	360.458	1.035	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCNC(=O)CC(C)C)C[C@H]1c1ccccc1	ZINC001211736230	809925666	/nfs/dbraw/zinc/92/56/66/809925666.db2.gz	NJZHZXILPDIBGD-RBUKOAKNSA-N	1	0	355.482	1.756	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1	ZINC001087454089	810042167	/nfs/dbraw/zinc/04/21/67/810042167.db2.gz	BBJHOZIKHRYNRX-BOFPYLFWSA-N	1	0	370.428	1.994	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2COC(=O)N2)C1	ZINC001087454723	810047132	/nfs/dbraw/zinc/04/71/32/810047132.db2.gz	FTYPSNCQJHHONU-ZACQAIPSSA-N	1	0	359.401	1.232	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N[C@@H]1CCCN(c2cnn(C)c2)C1	ZINC000261712214	810173402	/nfs/dbraw/zinc/17/34/02/810173402.db2.gz	VMBKJVYJMDJGKG-SPUZQDLCSA-N	1	0	372.517	1.512	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H]1CCOC[C@H]1C	ZINC000433138132	810207997	/nfs/dbraw/zinc/20/79/97/810207997.db2.gz	QYNGIZXWQCDVJR-DYVFJYSZSA-N	1	0	362.474	1.966	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4oc(C)nc4C)[C@@H]3C2)C1=O	ZINC001075644127	810225991	/nfs/dbraw/zinc/22/59/91/810225991.db2.gz	XOSORBVUMHTIGN-ARFHVFGLSA-N	1	0	358.442	1.225	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)cc1	ZINC000419290855	810336106	/nfs/dbraw/zinc/33/61/06/810336106.db2.gz	RKRDBBPLMQLWFR-ZWKOTPCHSA-N	1	0	354.454	1.555	20	30		FDEDRO
N#CCCn1cc(C[NH2+]CCC(=O)N2CCOCC2)c(-c2ccncc2)n1	ZINC000433303297	810406642	/nfs/dbraw/zinc/40/66/42/810406642.db2.gz	KSOCUOVZTNIQHR-UHFFFAOYSA-N	1	0	368.441	1.197	20	30		FDEDRO
N#CCCn1cc(C[NH2+][C@@H]2CCC[C@@H](C(N)=O)C2)c(-c2ccncc2)n1	ZINC000433314974	810414341	/nfs/dbraw/zinc/41/43/41/810414341.db2.gz	CRZNGAVASSMPCC-NVXWUHKLSA-N	1	0	352.442	1.992	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(CC(=O)N[C@@](C)(C#N)C3CC3)CC2)CC1	ZINC000333126508	810469451	/nfs/dbraw/zinc/46/94/51/810469451.db2.gz	CZTVFOOOZUZAIG-FQEVSTJZSA-N	1	0	361.534	1.285	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1	ZINC001087459629	810509180	/nfs/dbraw/zinc/50/91/80/810509180.db2.gz	OOLBBFGVUJFFJW-FGTMMUONSA-N	1	0	359.445	1.955	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cn2cncn2)C1	ZINC001087460091	810576195	/nfs/dbraw/zinc/57/61/95/810576195.db2.gz	OJECBNNDLRBOAD-QZTJIDSGSA-N	1	0	357.433	1.968	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCCCC2)N[C@@H](C)Cc1c(C)nn(C)c1C	ZINC000261780340	810854612	/nfs/dbraw/zinc/85/46/12/810854612.db2.gz	PDEQAQMSGCPZNI-ZDUSSCGKSA-N	1	0	372.521	1.651	20	30		FDEDRO
C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1	ZINC000894186791	810859418	/nfs/dbraw/zinc/85/94/18/810859418.db2.gz	UTRYFUHWQVUJEY-YJNKXOJESA-N	1	0	363.462	1.091	20	30		FDEDRO
C#CCN(C(=O)c1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000729332064	811148208	/nfs/dbraw/zinc/14/82/08/811148208.db2.gz	JOQQSSXJFWWSFO-IBGZPJMESA-N	1	0	374.506	1.935	20	30		FDEDRO
C[NH+]=C(NCc1ccc(-n2nc(C)cc2C)nc1)N(C)C[C@H]1CCOC1	ZINC000261658316	811293849	/nfs/dbraw/zinc/29/38/49/811293849.db2.gz	NLVLRBHWMMXWAG-QGZVFWFLSA-N	1	0	356.474	1.928	20	30		FDEDRO
CC[NH+]=C(NCC#Cc1ccccc1)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261780176	811319102	/nfs/dbraw/zinc/31/91/02/811319102.db2.gz	PZVBFRXBAVTWTJ-UHFFFAOYSA-N	1	0	364.453	1.086	20	30		FDEDRO
C[NH+]=C(N[C@H]1C[C@@H]1Cc1ccccc1)N1CCN(C(C)(C)C(N)=O)CC1	ZINC000261861465	811333810	/nfs/dbraw/zinc/33/38/10/811333810.db2.gz	YLSISQBCMPJKMN-IRXDYDNUSA-N	1	0	357.502	1.075	20	30		FDEDRO
C[NH+]=C(NCc1coc(-c2ccc(C)cc2)n1)NCc1nnc(C)n1C	ZINC000261957284	811353130	/nfs/dbraw/zinc/35/31/30/811353130.db2.gz	JDWFKMPMEWGWIT-UHFFFAOYSA-N	1	0	353.430	1.952	20	30		FDEDRO
C[NH+]=C(NCc1nnc(C)n1C)N1CCN(c2cc(C)ccc2C)CC1	ZINC000262005861	811365899	/nfs/dbraw/zinc/36/58/99/811365899.db2.gz	VOHVKSJNMCULJR-UHFFFAOYSA-N	1	0	355.490	1.638	20	30		FDEDRO
[NH2+]=C(NCC1(c2ccc(F)cc2)CC1)N1CCN(c2ncccn2)CC1	ZINC000262021233	811369911	/nfs/dbraw/zinc/36/99/11/811369911.db2.gz	XXROVFJCDPOZKM-UHFFFAOYSA-N	1	0	354.433	1.784	20	30		FDEDRO
[NH2+]=C(NCCN1CCc2sccc2C1)N1CCN(c2ncccn2)CC1	ZINC000262025965	811370814	/nfs/dbraw/zinc/37/08/14/811370814.db2.gz	ZJORJPXSOJLCRP-UHFFFAOYSA-N	1	0	371.514	1.033	20	30		FDEDRO
C[C@@H]1CCN(C(NCC(=O)N(C)C)=[NH+]C2CCCC2)C[C@@H]1n1ccnc1	ZINC000262254694	811424424	/nfs/dbraw/zinc/42/44/24/811424424.db2.gz	CKZDLFYQYCMPAT-WBVHZDCISA-N	1	0	360.506	1.742	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3ccccc3O2)C[C@H]1C(F)(F)F	ZINC001112128753	811440333	/nfs/dbraw/zinc/44/03/33/811440333.db2.gz	ZVACWBGUJUBGEB-IIAWOOMASA-N	1	0	352.356	1.992	20	30		FDEDRO
CN(C)C(=O)CNC(=[NH+]C1CCCC1)N1CCN(c2ccccn2)CC1	ZINC000262344472	811446344	/nfs/dbraw/zinc/44/63/44/811446344.db2.gz	XQFLWINHNSQXPN-UHFFFAOYSA-N	1	0	358.490	1.180	20	30		FDEDRO
C[NH+]=C(NCc1ccc(C(N)=O)o1)NC1CCN(c2ccccc2)CC1	ZINC000262404524	811459855	/nfs/dbraw/zinc/45/98/55/811459855.db2.gz	OGDPSIMKBWHMKP-UHFFFAOYSA-N	1	0	355.442	1.713	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1	ZINC001028605392	811509099	/nfs/dbraw/zinc/50/90/99/811509099.db2.gz	SCFTVPDYLGMLSK-JOQOYGCGSA-N	1	0	361.417	1.439	20	30		FDEDRO
CC[NH+]=C(NCCc1c(C)noc1C)N1CCN(C(=O)c2ccco2)CC1	ZINC000262762152	811548448	/nfs/dbraw/zinc/54/84/48/811548448.db2.gz	GKDGUPRLQHXANL-UHFFFAOYSA-N	1	0	373.457	1.850	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)O1	ZINC001028629124	811652256	/nfs/dbraw/zinc/65/22/56/811652256.db2.gz	GYYRBKZOYSLABX-MISYRCLQSA-N	1	0	355.482	1.195	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)cc1Br	ZINC000927887891	811663614	/nfs/dbraw/zinc/66/36/14/811663614.db2.gz	DJVJRTSWTVUBRX-SNVBAGLBSA-N	1	0	365.231	1.457	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC001028629296	811665131	/nfs/dbraw/zinc/66/51/31/811665131.db2.gz	ITJREOZNIZZIKS-MJBXVCDLSA-N	1	0	350.381	1.737	20	30		FDEDRO
Cc1oc(C#N)cc1C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	ZINC000280630979	811885590	/nfs/dbraw/zinc/88/55/90/811885590.db2.gz	MAVOZEBNNJIPTR-UHFFFAOYSA-N	1	0	372.469	1.914	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1	ZINC000280723750	811915202	/nfs/dbraw/zinc/91/52/02/811915202.db2.gz	IDDKYEZYKDIDIM-HUUCEWRRSA-N	1	0	358.442	1.372	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC[NH2+]1	ZINC000419631153	812052991	/nfs/dbraw/zinc/05/29/91/812052991.db2.gz	DQNCKXXGPOKSBC-HNNXBMFYSA-N	1	0	362.433	1.662	20	30		FDEDRO
O=C(NCC#Cc1cccc(F)c1)C(=O)NCC[NH2+]C1CCCCCC1	ZINC000419670419	812082993	/nfs/dbraw/zinc/08/29/93/812082993.db2.gz	CZPMYIZUOVAKKI-UHFFFAOYSA-N	1	0	359.445	1.722	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)NCC2([NH3+])CCCCC2)C2CC2)cc1	ZINC000419803625	812201133	/nfs/dbraw/zinc/20/11/33/812201133.db2.gz	NEHFNAXERVXYHD-UHFFFAOYSA-N	1	0	354.454	1.827	20	30		FDEDRO
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)C(=O)NCCC[NH3+])cc1	ZINC000419838740	812246539	/nfs/dbraw/zinc/24/65/39/812246539.db2.gz	OVYUQCNVIGEOQW-UHFFFAOYSA-N	1	0	368.412	1.691	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)NCC[C@@H]3CC[NH2+]C3)CC2)cc1	ZINC000419921686	812288091	/nfs/dbraw/zinc/28/80/91/812288091.db2.gz	YIVCHGZKVDMXLX-INIZCTEOSA-N	1	0	352.438	1.290	20	30		FDEDRO
CC(C)[N@H+](C)CCNC(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000514002999	815569768	/nfs/dbraw/zinc/56/97/68/815569768.db2.gz	FFJZQWOJDISRIS-IFXJQAMLSA-N	1	0	355.442	1.382	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+]	ZINC000420066741	813432378	/nfs/dbraw/zinc/43/23/78/813432378.db2.gz	RBRSZNKFJIXMII-MANSERQUSA-N	1	0	368.481	1.918	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC[NH2+]1	ZINC000420099131	813454280	/nfs/dbraw/zinc/45/42/80/813454280.db2.gz	BKPOVMADAGRJLB-KBXCAEBGSA-N	1	0	352.438	1.431	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1	ZINC000420195959	813548330	/nfs/dbraw/zinc/54/83/30/813548330.db2.gz	ABOFRDBNCPFYAX-CEXWTWQISA-N	1	0	355.482	1.748	20	30		FDEDRO
C[NH+](C)C1CCC(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1	ZINC000420898696	813853619	/nfs/dbraw/zinc/85/36/19/813853619.db2.gz	ZTFAMZPLHBAPPG-UHFFFAOYSA-N	1	0	356.474	1.658	20	30		FDEDRO
N#Cc1cccc(CCNC(=O)N2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)c1	ZINC000366978742	814201799	/nfs/dbraw/zinc/20/17/99/814201799.db2.gz	BHKQIMAFBXUZDP-RTBURBONSA-N	1	0	356.470	1.731	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)CC3(CS(C)(=O)=O)CC3)C[C@]2(C)C1	ZINC001101240108	814413827	/nfs/dbraw/zinc/41/38/27/814413827.db2.gz	RXIVCTMBCHYAEG-WBVHZDCISA-N	1	0	352.500	1.005	20	30		FDEDRO
CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1	ZINC000272583790	814761557	/nfs/dbraw/zinc/76/15/57/814761557.db2.gz	RGGLITCKKNBYRE-HNNXBMFYSA-N	1	0	358.442	1.859	20	30		FDEDRO
N#C[C@@H](C(=O)CN1CCC(CCCO)CC1)c1nc2ccccc2c(=O)[nH]1	ZINC000272922707	814783783	/nfs/dbraw/zinc/78/37/83/814783783.db2.gz	IZLFLZCOKONHFA-INIZCTEOSA-N	1	0	368.437	1.996	20	30		FDEDRO
C[C@H](CCNC(=O)NCCNC(=O)C1N=CC=CC1=O)[NH+]1CCCCC1	ZINC000273199839	814790065	/nfs/dbraw/zinc/79/00/65/814790065.db2.gz	IPAJDTMUKHFUIW-UPTRSRDDSA-N	1	0	363.462	1.077	20	30		FDEDRO
C[NH+]=C(NCCc1ccc(Cl)cc1)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261865179	814800104	/nfs/dbraw/zinc/80/01/04/814800104.db2.gz	YZCHKYZDMIVXFF-UHFFFAOYSA-N	1	0	374.876	1.540	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](CCO[C@@H]4CC4(F)F)C[C@H]32)c[nH]1	ZINC001075709387	815766309	/nfs/dbraw/zinc/76/63/09/815766309.db2.gz	HQCOIDSWJDSERM-NILFDRSVSA-N	1	0	350.369	1.457	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(CO)cc4)C[C@H]32)c[nH]1	ZINC001075710165	815771379	/nfs/dbraw/zinc/77/13/79/815771379.db2.gz	YNHSEBZZIWXXBN-QFBILLFUSA-N	1	0	350.422	1.725	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2c(C)nn(C)c2Cl)C1	ZINC001028808803	815772328	/nfs/dbraw/zinc/77/23/28/815772328.db2.gz	FQIAWCLQLQAOTD-LZWOXQAQSA-N	1	0	366.893	1.911	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NC1CCCC1	ZINC001167956568	815774877	/nfs/dbraw/zinc/77/48/77/815774877.db2.gz	CHVWUAZEAREGNB-SZMVWBNQSA-N	1	0	365.518	1.901	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NCC(C)C	ZINC001167956593	815785866	/nfs/dbraw/zinc/78/58/66/815785866.db2.gz	DJJANUVWAWNAOP-IKGGRYGDSA-N	1	0	353.507	1.614	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc3c(c2)nnn3C)C1	ZINC001028810048	815786107	/nfs/dbraw/zinc/78/61/07/815786107.db2.gz	VASJNCIDRWEPEZ-FCEWJHQRSA-N	1	0	369.469	1.498	20	30		FDEDRO
N#CCCn1cc(C[N@H+]2CCC[C@H](CC(N)=O)C2)c(-c2ccncc2)n1	ZINC000435130641	815919015	/nfs/dbraw/zinc/91/90/15/815919015.db2.gz	QTYUOWDNDPGYEC-OAHLLOKOSA-N	1	0	352.442	1.946	20	30		FDEDRO
CN(C)C(=O)c1cccc(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)c1	ZINC000514661725	815921741	/nfs/dbraw/zinc/92/17/41/815921741.db2.gz	OCNMLWLOQIZIGI-SFHVURJKSA-N	1	0	353.422	1.790	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000514919022	816032908	/nfs/dbraw/zinc/03/29/08/816032908.db2.gz	UJMGHXJUNHWPKA-RDGPPVDQSA-N	1	0	359.470	1.512	20	30		FDEDRO
Cn1ncc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)c1N	ZINC001075717847	816072006	/nfs/dbraw/zinc/07/20/06/816072006.db2.gz	NVXUIMBGESCSGX-DOTOQJQBSA-N	1	0	350.426	1.220	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CCC(C[NH+](C)C)CC1	ZINC000425390284	816079789	/nfs/dbraw/zinc/07/97/89/816079789.db2.gz	WDWBHGAQDHPURB-OAHLLOKOSA-N	1	0	356.470	1.878	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001028857548	816254121	/nfs/dbraw/zinc/25/41/21/816254121.db2.gz	XWTJJSAMBSXAPF-VDZJLULYSA-N	1	0	354.454	1.062	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]CCn2c(=O)oc3ccccc32)cc1	ZINC000515637822	816354393	/nfs/dbraw/zinc/35/43/93/816354393.db2.gz	YNAPFFCLVIKJLY-OAHLLOKOSA-N	1	0	353.378	1.496	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1	ZINC000425500319	816386217	/nfs/dbraw/zinc/38/62/17/816386217.db2.gz	LPHGGVXVTPPIEN-VQTJNVASSA-N	1	0	365.481	1.849	20	30		FDEDRO
C=CCn1cc(CNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1	ZINC000425521991	816446104	/nfs/dbraw/zinc/44/61/04/816446104.db2.gz	ZTXITGDPPYGOOS-KRWDZBQOSA-N	1	0	354.458	1.785	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccncc1OCCC[NH+](C)C	ZINC000425549437	816506426	/nfs/dbraw/zinc/50/64/26/816506426.db2.gz	ZSSQTCIHYJOONT-IRXDYDNUSA-N	1	0	362.474	1.802	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C[C@@H]21	ZINC000516541380	816897168	/nfs/dbraw/zinc/89/71/68/816897168.db2.gz	MRIGFPKUHRSMRM-KEYYUXOJSA-N	1	0	372.856	1.727	20	30		FDEDRO
CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N(C)C[C@@H](C)C#N)c2)CC1	ZINC000437405144	817073815	/nfs/dbraw/zinc/07/38/15/817073815.db2.gz	LJBYAQCAJQSPHI-INIZCTEOSA-N	1	0	371.485	1.774	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000425860378	817237179	/nfs/dbraw/zinc/23/71/79/817237179.db2.gz	TZLQPYLPBNLZMA-RDGPPVDQSA-N	1	0	364.534	1.778	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1	ZINC000517134629	817254490	/nfs/dbraw/zinc/25/44/90/817254490.db2.gz	FOZASCBWYRKUIP-INIZCTEOSA-N	1	0	358.486	1.983	20	30		FDEDRO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC1CC[NH+](C2CC2)CC1	ZINC000425871951	817274222	/nfs/dbraw/zinc/27/42/22/817274222.db2.gz	YGQCSASEJJNPEN-AWEZNQCLSA-N	1	0	354.454	1.821	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](CC)CC	ZINC000425874633	817288905	/nfs/dbraw/zinc/28/89/05/817288905.db2.gz	CUALRVYGQFINEZ-JYJNAYRXSA-N	1	0	363.458	1.486	20	30		FDEDRO
CC(C)(CC#N)CNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1	ZINC000425909582	817366190	/nfs/dbraw/zinc/36/61/90/817366190.db2.gz	PVLHLBYMBDLXGF-ZWKOTPCHSA-N	1	0	368.481	1.775	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1	ZINC000438006738	817431809	/nfs/dbraw/zinc/43/18/09/817431809.db2.gz	NVOGREVDVSFIMU-WMZOPIPTSA-N	1	0	366.506	1.163	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCNC(=O)C(C)(C)C)C[C@H]1C(F)(F)F	ZINC001112141219	817525817	/nfs/dbraw/zinc/52/58/17/817525817.db2.gz	QNVSIKKEXTVBNQ-CHWSQXEVSA-N	1	0	361.408	1.541	20	30		FDEDRO
CC[C@@H]1C[N@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCCO1	ZINC000517833993	817604110	/nfs/dbraw/zinc/60/41/10/817604110.db2.gz	GIIIXLVVSUXXIV-OAHLLOKOSA-N	1	0	361.446	1.004	20	30		FDEDRO
Cc1cc(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)nn1-c1cccc(C#N)c1	ZINC000506345189	817693340	/nfs/dbraw/zinc/69/33/40/817693340.db2.gz	IOPDJNLKAZPWRA-HNNXBMFYSA-N	1	0	366.469	1.418	20	30		FDEDRO
CC[NH+]=C(NCc1cccc(CO)c1)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000261959767	817797514	/nfs/dbraw/zinc/79/75/14/817797514.db2.gz	PBJZAGWEYPDLQQ-UHFFFAOYSA-N	1	0	360.502	1.976	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)C(C)(F)F)CC1	ZINC000983472121	817889526	/nfs/dbraw/zinc/88/95/26/817889526.db2.gz	ICLXVTBCANSEMJ-ZBFHGGJFSA-N	1	0	369.456	1.730	20	30		FDEDRO
C[NH+]=C(NCc1cc(OC)c(OC)cc1OC)N1CC[C@@]2(CCOC2)C1	ZINC000261983399	817908686	/nfs/dbraw/zinc/90/86/86/817908686.db2.gz	PLPWVYOPZPOUCV-LJQANCHMSA-N	1	0	363.458	1.900	20	30		FDEDRO
CCOC(=O)[C@]1(COC)CCC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1	ZINC000439474968	817973369	/nfs/dbraw/zinc/97/33/69/817973369.db2.gz	CUUABRLUBCKGRD-AYOQOUSVSA-N	1	0	367.490	1.721	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)n1cnc(C#N)n1	ZINC000894431378	818047112	/nfs/dbraw/zinc/04/71/12/818047112.db2.gz	QOUIPIYMKADGPH-RYQLBKOJSA-N	1	0	364.453	1.691	20	30		FDEDRO
C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1csc(C#N)c1	ZINC000894606404	818229502	/nfs/dbraw/zinc/22/95/02/818229502.db2.gz	WJOUQRUPEIHLCN-UHFFFAOYSA-N	1	0	351.453	1.778	20	30		FDEDRO
C#CCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2c[nH]c(=O)n2C)C1	ZINC001087475128	818297377	/nfs/dbraw/zinc/29/73/77/818297377.db2.gz	SBRGUCQUKIOPFL-IRXDYDNUSA-N	1	0	368.437	1.355	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2cn[nH]n2)C1	ZINC001087475240	818304687	/nfs/dbraw/zinc/30/46/87/818304687.db2.gz	ZFIHLPUIUFTLGA-WMZOPIPTSA-N	1	0	353.426	1.425	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)CC[N@@H+]1C	ZINC000928436625	818570613	/nfs/dbraw/zinc/57/06/13/818570613.db2.gz	VCMCVNBPHDIUMV-YGRLFVJLSA-N	1	0	352.232	1.908	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1	ZINC000983698113	818599994	/nfs/dbraw/zinc/59/99/94/818599994.db2.gz	SLMHUGQTUSQARC-UKPHBRMFSA-N	1	0	357.458	1.337	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)CN1CC[C@](C)(NCC(=O)OC(C)(C)C)C1	ZINC000440491811	818689044	/nfs/dbraw/zinc/68/90/44/818689044.db2.gz	IDKPUGGPKAKPER-BEFAXECRSA-N	1	0	366.506	1.390	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CCCO2)C[C@H]1C(F)(F)F	ZINC001112151916	819223770	/nfs/dbraw/zinc/22/37/70/819223770.db2.gz	BALXSDWZROWMGM-MCIONIFRSA-N	1	0	370.375	1.877	20	30		FDEDRO
N#Cc1nccnc1N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1	ZINC001167994674	819497253	/nfs/dbraw/zinc/49/72/53/819497253.db2.gz	JXGXJWGIRMBEMM-JWTNVVGKSA-N	1	0	352.486	1.876	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccnc(N3CCOCC3)c2)C1	ZINC000328649035	819522425	/nfs/dbraw/zinc/52/24/25/819522425.db2.gz	APMFOGYJZDQJGE-KRWDZBQOSA-N	1	0	361.490	1.654	20	30		FDEDRO
O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc2n[nH]c(=O)n2c1	ZINC000328673179	819527636	/nfs/dbraw/zinc/52/76/36/819527636.db2.gz	IVFVJKRLQBWITO-UHFFFAOYSA-N	1	0	359.430	1.775	20	30		FDEDRO
O=C(C[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O)NC[C@H]1Cc2ccccc2O1	ZINC000328837620	819561636	/nfs/dbraw/zinc/56/16/36/819561636.db2.gz	TUYUDPZZAMXYOH-XDNAFOTISA-N	1	0	360.454	1.808	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1	ZINC000983804148	819579613	/nfs/dbraw/zinc/57/96/13/819579613.db2.gz	IBFAKLIEZBSKBX-ZBFHGGJFSA-N	1	0	357.458	1.339	20	30		FDEDRO
C[N@@H+]1C[C@H](NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)[C@@H](c2ccccc2)C1	ZINC000328925638	819595523	/nfs/dbraw/zinc/59/55/23/819595523.db2.gz	OIUFPXBVXZFJPZ-GUXCAODWSA-N	1	0	370.453	1.966	20	30		FDEDRO
C[C@H](CNC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C)C[NH+]1CCN(C)CC1	ZINC000328971022	819602032	/nfs/dbraw/zinc/60/20/32/819602032.db2.gz	OQTXMJNIUFOBDL-KZNAEPCWSA-N	1	0	359.518	1.994	20	30		FDEDRO
CCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)C1	ZINC000330697226	819630192	/nfs/dbraw/zinc/63/01/92/819630192.db2.gz	DZDOSRAGFDGKST-BZUAXINKSA-N	1	0	366.506	1.834	20	30		FDEDRO
CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)C1	ZINC000330794759	819643404	/nfs/dbraw/zinc/64/34/04/819643404.db2.gz	FWOIPWFFLHWWOD-BRWVUGGUSA-N	1	0	367.538	1.209	20	30		FDEDRO
CC(C)NC(=O)NC(=O)[C@@H](C)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1	ZINC000331231485	819669747	/nfs/dbraw/zinc/66/97/47/819669747.db2.gz	IEUJHEDDKXNCQN-PVAVHDDUSA-N	1	0	361.490	1.833	20	30		FDEDRO
Cc1cccc(NC(=O)NCC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1	ZINC000331281522	819673184	/nfs/dbraw/zinc/67/31/84/819673184.db2.gz	CNHQCLHQXHSJHH-HNNXBMFYSA-N	1	0	362.474	1.625	20	30		FDEDRO
C[C@@H]1CCN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)[C@H]1CO	ZINC000331291963	819676754	/nfs/dbraw/zinc/67/67/54/819676754.db2.gz	PTBWTHRLTULBGG-ZBFHGGJFSA-N	1	0	368.522	1.230	20	30		FDEDRO
CCCNC(=O)[C@@H]1CCCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1	ZINC000331307601	819677348	/nfs/dbraw/zinc/67/73/48/819677348.db2.gz	SJFPEFXFGUVNJJ-MRXNPFEDSA-N	1	0	367.538	1.165	20	30		FDEDRO
CNC(=O)c1cccc(CCC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1	ZINC000331300368	819677618	/nfs/dbraw/zinc/67/76/18/819677618.db2.gz	QVHDRNFENMLCMI-HNNXBMFYSA-N	1	0	361.486	1.857	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1	ZINC000983870075	819841744	/nfs/dbraw/zinc/84/17/44/819841744.db2.gz	WDTOBTUXHASVDG-KDOFPFPSSA-N	1	0	371.485	1.728	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1)[NH+](C)C	ZINC000459040253	819894950	/nfs/dbraw/zinc/89/49/50/819894950.db2.gz	LFURNUVBRLRCQV-HNNXBMFYSA-N	1	0	366.469	1.888	20	30		FDEDRO
COc1ccc(F)cc1CN1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1	ZINC001083413528	820019856	/nfs/dbraw/zinc/01/98/56/820019856.db2.gz	SKPFYLYZXRBXOE-CVEARBPZSA-N	1	0	358.373	1.009	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)cc2F)C1	ZINC000983913784	820059158	/nfs/dbraw/zinc/05/91/58/820059158.db2.gz	FYHFKKFFTALISY-GKEYINFOSA-N	1	0	361.417	1.486	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc(C#N)c3)C2)O1	ZINC000984014396	820530473	/nfs/dbraw/zinc/53/04/73/820530473.db2.gz	KGHJCTKQYDKLSH-UTRMSSBJSA-N	1	0	356.470	1.262	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCCc3nc(C)no3)C[C@H]21	ZINC001075807516	820868383	/nfs/dbraw/zinc/86/83/83/820868383.db2.gz	GELFUMDSYLEPRD-MLHJIOFPSA-N	1	0	374.485	1.825	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1CCO[C@@H]1CC1(F)F	ZINC001087535650	820936728	/nfs/dbraw/zinc/93/67/28/820936728.db2.gz	UWTWLHGMWQKCIL-NWANDNLSSA-N	1	0	352.385	1.893	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C(=O)OC)ccc2C)CC1	ZINC000442273727	821110048	/nfs/dbraw/zinc/11/00/48/821110048.db2.gz	PRHVUSYBFQEFPR-UHFFFAOYSA-N	1	0	359.426	1.487	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCCN(O)C3=O)C[C@H]2C1	ZINC000895158728	821189603	/nfs/dbraw/zinc/18/96/03/821189603.db2.gz	NCPYHAJSIPANKX-ZQDZILKHSA-N	1	0	353.463	1.992	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@H](C[NH2+][C@H]1CCCN(O)C1=O)CC(F)(F)F	ZINC000895159351	821203827	/nfs/dbraw/zinc/20/38/27/821203827.db2.gz	UGCLEFLEDZNFSP-UWVGGRQHSA-N	1	0	355.357	1.802	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1cccc(C(N)=O)c1	ZINC001087545651	821248205	/nfs/dbraw/zinc/24/82/05/821248205.db2.gz	VPQFYNUQWWXCKY-FUHWJXTLSA-N	1	0	365.437	1.768	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3ccc(C)o3)[C@H]2CC)C1=O	ZINC001087545910	821252186	/nfs/dbraw/zinc/25/21/86/821252186.db2.gz	HTYIPCCPFSRRPT-KSZLIROESA-N	1	0	359.470	1.887	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN([C@@H](C(=O)OC(C)(C)C)C(C)C)C1=O	ZINC000442781148	821288051	/nfs/dbraw/zinc/28/80/51/821288051.db2.gz	HVPNYRXSKXEABL-SOUVJXGZSA-N	1	0	367.490	1.234	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ncn(C)n2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001087563726	821508745	/nfs/dbraw/zinc/50/87/45/821508745.db2.gz	MABMBILWHHWDCJ-DLBZAZTESA-N	1	0	368.441	1.500	20	30		FDEDRO
N#Cc1ccc([C@H](O)C(=O)NCC2([NH+]3CCCCC3)CCOCC2)cc1	ZINC000780938711	821560244	/nfs/dbraw/zinc/56/02/44/821560244.db2.gz	JLPOMSADXPVRNM-SFHVURJKSA-N	1	0	357.454	1.743	20	30		FDEDRO
C=C(Cl)CN1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1CC	ZINC001087576311	821580275	/nfs/dbraw/zinc/58/02/75/821580275.db2.gz	AGFKMZMMXYJBLB-GOEBONIOSA-N	1	0	353.898	1.780	20	30		FDEDRO
CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCCN(O)C2=O)C[C@H]1C(F)(F)F	ZINC000895192285	821606209	/nfs/dbraw/zinc/60/62/09/821606209.db2.gz	HJDFSCTWAJYWPI-QCNOEVLYSA-N	1	0	352.353	1.867	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@]2(C)CNC(=O)C2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087668751	821970172	/nfs/dbraw/zinc/97/01/72/821970172.db2.gz	INMWEUFLFQJTEV-UEXGIBASSA-N	1	0	353.466	1.533	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001087685573	822033298	/nfs/dbraw/zinc/03/32/98/822033298.db2.gz	SURVBSKWGDQRPR-OKZBNKHCSA-N	1	0	370.453	1.194	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)n2C)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087687020	822039180	/nfs/dbraw/zinc/03/91/80/822039180.db2.gz	JUZTZEKYFDCOLR-JKSUJKDBSA-N	1	0	353.426	1.780	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087687235	822041738	/nfs/dbraw/zinc/04/17/38/822041738.db2.gz	SUNSZKHREJVTEH-OKZBNKHCSA-N	1	0	354.454	1.031	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087690217	822049217	/nfs/dbraw/zinc/04/92/17/822049217.db2.gz	QUVWFFIDACOJHM-XHSDSOJGSA-N	1	0	360.483	1.710	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1	ZINC000984267272	822062533	/nfs/dbraw/zinc/06/25/33/822062533.db2.gz	REKJHQALPXSJGP-KSZLIROESA-N	1	0	363.502	1.513	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccn(C)c3C)[C@H]2CC)C1=O	ZINC001087716396	822180039	/nfs/dbraw/zinc/18/00/39/822180039.db2.gz	ITYFOAVDGQHPNC-KSZLIROESA-N	1	0	358.486	1.703	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C2CC(=O)NC(=O)C2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087761659	822386572	/nfs/dbraw/zinc/38/65/72/822386572.db2.gz	GIRKOPGPTZTJQI-ZWKOTPCHSA-N	1	0	367.449	1.060	20	30		FDEDRO
COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N1C[C@H]([NH+]3CCCC3)C[C@H]1C)CC2	ZINC000329580178	822430260	/nfs/dbraw/zinc/43/02/60/822430260.db2.gz	WTWCTFZQBGHUKT-RBSFLKMASA-N	1	0	362.478	1.212	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3ccns3)[C@@H]2CC)CC1	ZINC001087840471	822559755	/nfs/dbraw/zinc/55/97/55/822559755.db2.gz	ZCDNJNXACDLGBL-ZWKOTPCHSA-N	1	0	360.527	1.957	20	30		FDEDRO
COc1ccc([C@H](CNC(=O)c2cnn(C)c2C#N)[NH+]2CCCC2)cc1	ZINC000474205519	822628081	/nfs/dbraw/zinc/62/80/81/822628081.db2.gz	YAOVHLSZNIJTKG-SFHVURJKSA-N	1	0	353.426	1.867	20	30		FDEDRO
N#Cc1ccc(N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c(CS(N)(=O)=O)c1	ZINC000895570438	822653961	/nfs/dbraw/zinc/65/39/61/822653961.db2.gz	SYNGYWMKECCATO-HOTGVXAUSA-N	1	0	366.512	1.338	20	30		FDEDRO
N#Cc1ccc(N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c(CS(N)(=O)=O)c1	ZINC000895570439	822654316	/nfs/dbraw/zinc/65/43/16/822654316.db2.gz	SYNGYWMKECCATO-HZPDHXFCSA-N	1	0	366.512	1.338	20	30		FDEDRO
C#CCN1CCC[C@H]([NH2+]C2CC(C(=O)OC(C)C)(C(=O)OC(C)C)C2)C1	ZINC000895746645	822726726	/nfs/dbraw/zinc/72/67/26/822726726.db2.gz	AXPHVXJWNGWVPE-INIZCTEOSA-N	1	0	364.486	1.726	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCCO3)C[C@@H]2C1	ZINC001087893729	822741264	/nfs/dbraw/zinc/74/12/64/822741264.db2.gz	UJVDKRBXTMUBBV-CEXWTWQISA-N	1	0	355.438	1.254	20	30		FDEDRO
CC[N@H+](C[C@H]1CCOC1)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O	ZINC000738084123	822760078	/nfs/dbraw/zinc/76/00/78/822760078.db2.gz	YXZXLKHAXIPFQZ-QGZVFWFLSA-N	1	0	356.426	1.638	20	30		FDEDRO
CNC(=O)c1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]3C2)c1	ZINC001087909685	823757518	/nfs/dbraw/zinc/75/75/18/823757518.db2.gz	UKMXXVMYSPYXQR-OLMNPRSZSA-N	1	0	354.454	1.486	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1	ZINC001088329311	828575910	/nfs/dbraw/zinc/57/59/10/828575910.db2.gz	SPGBVUXAVVWBPV-KZNAEPCWSA-N	1	0	358.486	1.882	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCNC(=O)C4)C[C@@H]3C2)c1	ZINC001087932373	823968735	/nfs/dbraw/zinc/96/87/35/823968735.db2.gz	VITIRXAPSTXHRA-QRVBRYPASA-N	1	0	366.465	1.365	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(CC)ccn4)[C@@H]3C2)C1=O	ZINC001075827304	824156973	/nfs/dbraw/zinc/15/69/73/824156973.db2.gz	OYPRMDJHRLAAIF-QXAKKESOSA-N	1	0	368.481	1.577	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H]2C[N@@H+](CC[C@H]3CCS(=O)(=O)C3)CC[C@@H]2C1	ZINC001087961700	824182173	/nfs/dbraw/zinc/18/21/73/824182173.db2.gz	GKICKRYHDXIRSB-KSZLIROESA-N	1	0	364.511	1.005	20	30		FDEDRO
CC1CCN(C(=O)C[N@@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)CC1	ZINC001087962004	824182734	/nfs/dbraw/zinc/18/27/34/824182734.db2.gz	UBSMSGQECDHKEI-MOPGFXCFSA-N	1	0	357.498	1.439	20	30		FDEDRO
Cn1ccc(CC(=O)N2C[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)CC[C@@H]3C2)n1	ZINC001087963939	824214494	/nfs/dbraw/zinc/21/44/94/824214494.db2.gz	NMDYNNCDUVKZQP-MOPGFXCFSA-N	1	0	363.465	1.815	20	30		FDEDRO
Cn1ccc(CC(=O)N2C[C@@H]3C[N@@H+](CC#Cc4ccccc4)CC[C@@H]3C2)n1	ZINC001087964050	824214640	/nfs/dbraw/zinc/21/46/40/824214640.db2.gz	UOCBSEGSPKYRBX-UXHICEINSA-N	1	0	362.477	1.795	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4(C(F)F)CC4)C[C@@H]3C2)C1=O	ZINC001087965377	824234961	/nfs/dbraw/zinc/23/49/61/824234961.db2.gz	CHIUIHSLRPAXBR-ILXRZTDVSA-N	1	0	367.440	1.599	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1	ZINC001087970339	824294039	/nfs/dbraw/zinc/29/40/39/824294039.db2.gz	RILYOAYTPWPDLW-XDNAFOTISA-N	1	0	359.474	1.040	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)CC[C@@H]2C1	ZINC001087979425	824342008	/nfs/dbraw/zinc/34/20/08/824342008.db2.gz	ZRNDIDAMYADZMT-QLFBSQMISA-N	1	0	353.894	1.776	20	30		FDEDRO
C[NH+]1CCC2(CCCN2C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC1	ZINC000329068173	824554822	/nfs/dbraw/zinc/55/48/22/824554822.db2.gz	MIAPCAPSSUKUQL-INIZCTEOSA-N	1	0	358.490	1.920	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1	ZINC000329106963	824592222	/nfs/dbraw/zinc/59/22/22/824592222.db2.gz	DQNZTRIUTYLSOJ-HZPDHXFCSA-N	1	0	365.522	1.060	20	30		FDEDRO
CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)N[C@H](C)CN1CC[NH+](C)CC1	ZINC000329116055	824602071	/nfs/dbraw/zinc/60/20/71/824602071.db2.gz	IKDMTUZRQMIQEG-ZJPYXAASSA-N	1	0	368.522	1.052	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(C)[C@@H](c2nc(C3CC3)no2)C1)[N@H+](C)C1CC1	ZINC000329134242	824617831	/nfs/dbraw/zinc/61/78/31/824617831.db2.gz	QAYHLBVPEBEYAV-IUODEOHRSA-N	1	0	362.478	1.632	20	30		FDEDRO
O=C(N[C@H]1CCO[C@@H]1c1cccnc1)NC1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000329134468	824617887	/nfs/dbraw/zinc/61/78/87/824617887.db2.gz	QCNVIIHXDCMXOJ-ZYSHUDEJSA-N	1	0	374.485	1.916	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@@H]([NH+]3CCCC3)C2)CC1	ZINC000329160735	824637668	/nfs/dbraw/zinc/63/76/68/824637668.db2.gz	FJBMYRBSBRIKRG-MOPGFXCFSA-N	1	0	361.534	1.239	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)NCc3c(C)cc(C)[nH]c3=O)C2)CC1	ZINC000329168656	824639215	/nfs/dbraw/zinc/63/92/15/824639215.db2.gz	JETLKRPOFRLESS-MRXNPFEDSA-N	1	0	361.490	1.530	20	30		FDEDRO
Cn1cnnc1[C@H]1CCCN1C(=O)NC1CC[NH+](Cc2ccncc2)CC1	ZINC000329206276	824666017	/nfs/dbraw/zinc/66/60/17/824666017.db2.gz	XKTDVLBJLXAMES-QGZVFWFLSA-N	1	0	369.473	1.926	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(C)c3ccccc3C2)CC1	ZINC000329207697	824667023	/nfs/dbraw/zinc/66/70/23/824667023.db2.gz	BLRKHQZVQUXTPX-FQEVSTJZSA-N	1	0	369.513	1.631	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)C12CC[NH+](CC1)C2	ZINC000984742784	824679573	/nfs/dbraw/zinc/67/95/73/824679573.db2.gz	LREIVWAMPUNRKC-GOEBONIOSA-N	1	0	355.442	1.091	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)C1CC[NH+](C)CC1	ZINC000984744195	824684130	/nfs/dbraw/zinc/68/41/30/824684130.db2.gz	XTZXNSPRFNIZGZ-DOTOQJQBSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1nc(C)cc1C	ZINC001029480779	824687081	/nfs/dbraw/zinc/68/70/81/824687081.db2.gz	KQUBWVJIGWYPCV-HCXYKTFWSA-N	1	0	358.486	1.766	20	30		FDEDRO
O=C(Nc1ccc(F)c(N2CCCNC2=O)c1)[C@@H]1C[N@@H+]2CCN1CCC2	ZINC000329318715	824732362	/nfs/dbraw/zinc/73/23/62/824732362.db2.gz	FSZJEUSJFMVRGP-INIZCTEOSA-N	1	0	361.421	1.928	20	30		FDEDRO
CCc1noc([C@H](C)N2CCN(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)n1	ZINC000329325567	824738122	/nfs/dbraw/zinc/73/81/22/824738122.db2.gz	WGADRIXDEQNASX-KBPBESRZSA-N	1	0	362.478	1.461	20	30		FDEDRO
CN(C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)[C@@H]1CCCC[C@H]1O	ZINC000329348136	824748494	/nfs/dbraw/zinc/74/84/94/824748494.db2.gz	SBPCDRHJTZXUPG-BURFUSLBSA-N	1	0	363.506	1.952	20	30		FDEDRO
CC(=O)Nc1c[nH]nc1[C@@H]1CCCN([C@@H]2CCN(c3cnn(C)c3)C2=O)C1	ZINC000329364601	824756407	/nfs/dbraw/zinc/75/64/07/824756407.db2.gz	GBIJZABDXAQLQZ-CZUORRHYSA-N	1	0	371.445	1.736	20	30		FDEDRO
COc1cccc(NC(=O)CN(C)C(=O)CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1	ZINC000329395004	824769366	/nfs/dbraw/zinc/76/93/66/824769366.db2.gz	VLEKLTWEVKRYAZ-RDJZCZTQSA-N	1	0	374.485	1.910	20	30		FDEDRO
C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCn3ncc(C(N)=O)c3C2)CC[N@@H+]1C	ZINC000329396452	824770373	/nfs/dbraw/zinc/77/03/73/824770373.db2.gz	WCSLWQXZGQQMDI-MGPQQGTHSA-N	1	0	362.478	1.657	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)CC1	ZINC000329433235	824785550	/nfs/dbraw/zinc/78/55/50/824785550.db2.gz	IDRGZMVGBIQXAI-AEFFLSMTSA-N	1	0	359.474	1.937	20	30		FDEDRO
CC(C)c1nc([C@@H]2CCCN(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)C2)no1	ZINC000329442965	824794529	/nfs/dbraw/zinc/79/45/29/824794529.db2.gz	LGPQKJPGXCXMSX-HUUCEWRRSA-N	1	0	364.494	1.532	20	30		FDEDRO
CC[N@@H+]1CCCN(C(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)CC1	ZINC000329452717	824804077	/nfs/dbraw/zinc/80/40/77/824804077.db2.gz	PBLQBDSEKRZKAI-UHFFFAOYSA-N	1	0	374.489	1.042	20	30		FDEDRO
CC(C)CN1CCO[C@H](CNC(=O)c2nn(C)c3ccccc3c2=O)C1	ZINC000329491854	824836270	/nfs/dbraw/zinc/83/62/70/824836270.db2.gz	SYOZMGYNVJIWDQ-CQSZACIVSA-N	1	0	358.442	1.595	20	30		FDEDRO
COCCn1cc2c(n1)[C@H](NC(=O)N1CCO[C@@H](C[NH+](C)C)C1)CCC2	ZINC000329512974	824844481	/nfs/dbraw/zinc/84/44/81/824844481.db2.gz	LFAJFMGZVYOPIZ-JKSUJKDBSA-N	1	0	365.478	1.083	20	30		FDEDRO
CCC(=O)N1CC[C@H](NC(NCC(=O)N(C)C)=[NH+][C@@H]2CCCC[C@H]2C)C1	ZINC000262293085	824866523	/nfs/dbraw/zinc/86/65/23/824866523.db2.gz	LQTVWALIIPWLAG-OWCLPIDISA-N	1	0	365.522	1.199	20	30		FDEDRO
CN(C)C(=O)CNC(=[NH+]C[C@H]1CCCCO1)N1CCC2(C1)CCOCC2	ZINC000262296539	824897940	/nfs/dbraw/zinc/89/79/40/824897940.db2.gz	MLIMQPXKDSMKHZ-MRXNPFEDSA-N	1	0	366.506	1.092	20	30		FDEDRO
CC(C)N1C[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1=O	ZINC000329585384	824903536	/nfs/dbraw/zinc/90/35/36/824903536.db2.gz	YDCKUIHPLFZXCN-ZACQAIPSSA-N	1	0	366.506	1.267	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC000984792266	824934461	/nfs/dbraw/zinc/93/44/61/824934461.db2.gz	JEOCLFIQBOJAII-FGTMMUONSA-N	1	0	369.469	1.337	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2C[N@H+]([C@H](C)C(=O)NC3CC3)CC[C@@H]2C1	ZINC001087993053	824956731	/nfs/dbraw/zinc/95/67/31/824956731.db2.gz	XRISCJGCRGAIDI-ZACQAIPSSA-N	1	0	370.497	1.735	20	30		FDEDRO
Cn1cc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c(C2CC2)n1	ZINC000329620054	825005675	/nfs/dbraw/zinc/00/56/75/825005675.db2.gz	MMAGJSZCJSVEBF-OAHLLOKOSA-N	1	0	360.462	1.081	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)c2nnnn2C2CC2)C1	ZINC000984826157	825032940	/nfs/dbraw/zinc/03/29/40/825032940.db2.gz	MUQCCSRISGLBBP-RDUHTLEXSA-N	1	0	360.462	1.145	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCOC3CCC3)CC[C@@H]2C1	ZINC001087997925	825072991	/nfs/dbraw/zinc/07/29/91/825072991.db2.gz	HUBWFFGCXQFZCO-HBFSDRIKSA-N	1	0	359.514	1.433	20	30		FDEDRO
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCC[N@@H+]2CCCC(C)(C)C2)n1	ZINC000447421649	828743281	/nfs/dbraw/zinc/74/32/81/828743281.db2.gz	HHEMQGFKBPLDNW-UHFFFAOYSA-N	1	0	374.489	1.686	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@H]2CC)cc1	ZINC000984897971	825292271	/nfs/dbraw/zinc/29/22/71/825292271.db2.gz	BJZZHMATTNHTSO-GBESFXJTSA-N	1	0	353.466	1.729	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H]2CC)cn1	ZINC000984898660	825300830	/nfs/dbraw/zinc/30/08/30/825300830.db2.gz	OVXSUVQSKCQHIX-ZWKOTPCHSA-N	1	0	354.454	1.268	20	30		FDEDRO
C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)C1	ZINC000329695435	825322326	/nfs/dbraw/zinc/32/23/26/825322326.db2.gz	DAZPRZBORJPHLD-CFVMTHIKSA-N	1	0	363.462	1.965	20	30		FDEDRO
CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1CCO[C@H]1c1ccnn1C	ZINC000329750953	825426490	/nfs/dbraw/zinc/42/64/90/825426490.db2.gz	VGUPYRBNFIWUOV-UIBIWLFHSA-N	1	0	361.490	1.970	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)c2nnc(CC)[nH]2)C1	ZINC000984916713	825429560	/nfs/dbraw/zinc/42/95/60/825429560.db2.gz	KSVFJROIHLVLMT-NPCUJANDSA-N	1	0	361.490	1.894	20	30		FDEDRO
C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)CC1	ZINC000329766580	825437152	/nfs/dbraw/zinc/43/71/52/825437152.db2.gz	YIXXMQUTWRXUJJ-WDYCEAGBSA-N	1	0	369.506	1.263	20	30		FDEDRO
CN(C)c1cc[nH+]cc1C(=O)NCCN1CCN(C(=O)C2CCC2)CC1	ZINC000329777819	825449044	/nfs/dbraw/zinc/44/90/44/825449044.db2.gz	KSURZVPPINVPTJ-UHFFFAOYSA-N	1	0	359.474	1.397	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCCCS3(=O)=O)C[C@@H]2C1	ZINC001088042705	825539149	/nfs/dbraw/zinc/53/91/49/825539149.db2.gz	FBLOYZAUURECSA-SJORKVTESA-N	1	0	369.531	1.159	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN(C)[C@@H](c3nccn3C)C2)C1	ZINC000329976631	825573209	/nfs/dbraw/zinc/57/32/09/825573209.db2.gz	YVPSWENSTJWEEP-IAGOWNOFSA-N	1	0	362.522	1.601	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cncc(-n4ccnn4)c3)C[C@@H]2C1	ZINC001088052773	825637074	/nfs/dbraw/zinc/63/70/74/825637074.db2.gz	HXMRLUKZICLLQU-WBVHZDCISA-N	1	0	352.442	1.632	20	30		FDEDRO
CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)ncn1	ZINC000330189582	825712177	/nfs/dbraw/zinc/71/21/77/825712177.db2.gz	LXCYHRSQCVSGSH-BEFAXECRSA-N	1	0	373.505	1.429	20	30		FDEDRO
Cc1nn(C)c(C)c1[C@H]1[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC(=O)N1C	ZINC000330207458	825733800	/nfs/dbraw/zinc/73/38/00/825733800.db2.gz	AIRBWSVESQBPCI-RVKKMQEKSA-N	1	0	359.474	1.892	20	30		FDEDRO
CC(C)N1C[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1=O	ZINC000330236427	825749395	/nfs/dbraw/zinc/74/93/95/825749395.db2.gz	AGWGRNHDROOFHW-INIZCTEOSA-N	1	0	366.506	1.534	20	30		FDEDRO
C[C@]1(CO)CCC[C@@H]1[NH2+]CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1	ZINC000330271806	825784183	/nfs/dbraw/zinc/78/41/83/825784183.db2.gz	WOICARITJWLRBM-FXAWDEMLSA-N	1	0	374.485	1.517	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)N3CCC(O)(C(F)F)CC3)CC2)CC1	ZINC000330284867	825793988	/nfs/dbraw/zinc/79/39/88/825793988.db2.gz	YBXHAFCJVVFAEZ-UHFFFAOYSA-N	1	0	374.476	1.551	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)CC[C@@H]2C1	ZINC001088067146	825802990	/nfs/dbraw/zinc/80/29/90/825802990.db2.gz	QFUISULLHHJVRW-CVEARBPZSA-N	1	0	369.531	1.014	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1ccnc(OCC[NH+](C)C)c1	ZINC000280903183	825812632	/nfs/dbraw/zinc/81/26/32/825812632.db2.gz	GGQCNAYFPBRFLR-FUHWJXTLSA-N	1	0	362.474	1.802	20	30		FDEDRO
C=CCN1CC[C@@H](Oc2ccc(C(=O)NCC[NH+](CC)CC)cc2)C1=O	ZINC000281119280	825882833	/nfs/dbraw/zinc/88/28/33/825882833.db2.gz	ZVSZHZNBSYLSQR-GOSISDBHSA-N	1	0	359.470	1.924	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+](C)[C@H]2CCN(CC=C)C2=O)c(OC)c1	ZINC000281173932	825901520	/nfs/dbraw/zinc/90/15/20/825901520.db2.gz	ALNIUXZZRANWDA-MSOLQXFVSA-N	1	0	374.481	1.882	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC34CC4)[C@@H]2CC)CC1	ZINC000984988594	826001963	/nfs/dbraw/zinc/00/19/63/826001963.db2.gz	JCCPXSKSHPKVQM-FGTMMUONSA-N	1	0	357.498	1.627	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCCN3C3CCCC3)C[C@@H]2C1	ZINC001088079004	826130232	/nfs/dbraw/zinc/13/02/32/826130232.db2.gz	IPQDGDBUJNLAOP-WSTZPKSXSA-N	1	0	359.514	1.433	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN(CC(F)F)C3)C[C@@H]2C1	ZINC001088083887	826222320	/nfs/dbraw/zinc/22/23/20/826222320.db2.gz	NSJBQNQISRDWKG-ZACQAIPSSA-N	1	0	353.457	1.767	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1	ZINC000281768718	826233125	/nfs/dbraw/zinc/23/31/25/826233125.db2.gz	LVOTZNZODFIRIJ-CJNGLKHVSA-N	1	0	355.398	1.303	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2occc2C)[C@@H]1CC	ZINC000985048550	826235410	/nfs/dbraw/zinc/23/54/10/826235410.db2.gz	JQWMYQJJFGOUSL-KSZLIROESA-N	1	0	371.481	1.724	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)Cc4ccccc43)C[C@@H]2C1	ZINC001088120403	826494022	/nfs/dbraw/zinc/49/40/22/826494022.db2.gz	BYBYTVOMWOOVAR-MSOLQXFVSA-N	1	0	351.450	1.379	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c(=O)[nH]c4ccccc43)C[C@@H]2C1	ZINC001088120545	826494996	/nfs/dbraw/zinc/49/49/96/826494996.db2.gz	KIHZHCJLWZLFNY-CVEARBPZSA-N	1	0	352.438	1.546	20	30		FDEDRO
C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC(C)CC3)C[C@@H]2C1	ZINC001088131581	826553635	/nfs/dbraw/zinc/55/36/35/826553635.db2.gz	XEJIHYJQPGOOOA-CVEARBPZSA-N	1	0	353.894	1.778	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4c(C)noc4C)CC[C@@H]3C2)nn1	ZINC001088132696	826570413	/nfs/dbraw/zinc/57/04/13/826570413.db2.gz	BSZTUICXTWNXHY-CVEARBPZSA-N	1	0	370.457	1.663	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC(=O)N3)C[C@@H]2C1	ZINC001088138518	826623464	/nfs/dbraw/zinc/62/34/64/826623464.db2.gz	OPBZXPXLNMVQHU-CEXWTWQISA-N	1	0	366.465	1.507	20	30		FDEDRO
CN(C)c1nccc(N2C[C@@H](F)C[C@H]2C[NH2+]Cc2cc(C#N)n(C)c2)n1	ZINC000475081197	826659166	/nfs/dbraw/zinc/65/91/66/826659166.db2.gz	GGSGCFIAOJFTDH-HOCLYGCPSA-N	1	0	357.437	1.459	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH+]2CCC3(CC2)C[C@@H](O)CNC3=O)cc1	ZINC000897043088	826826585	/nfs/dbraw/zinc/82/65/85/826826585.db2.gz	SVUMYDLDDZPCHQ-GOSISDBHSA-N	1	0	356.470	1.499	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2CC)cn1	ZINC000985209688	826929173	/nfs/dbraw/zinc/92/91/73/826929173.db2.gz	HWSXTUUSNPUTDH-OTWHNJEPSA-N	1	0	368.481	1.657	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCCS(=O)(=O)C3)C[C@@H]2C1	ZINC001088163412	826932526	/nfs/dbraw/zinc/93/25/26/826932526.db2.gz	NXRVYRNJLJWVRY-ZACQAIPSSA-N	1	0	354.516	1.558	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCC[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC001059505746	826994879	/nfs/dbraw/zinc/99/48/79/826994879.db2.gz	WEQXSUMDSHUZRG-JCGIZDLHSA-N	1	0	371.485	1.585	20	30		FDEDRO
N#Cc1cc(Br)cnc1N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO	ZINC000897215907	827172671	/nfs/dbraw/zinc/17/26/71/827172671.db2.gz	DRIRDTPFXWPUBN-KBPBESRZSA-N	1	0	351.248	1.751	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3Cc4ccccc4C3=O)C[C@@H]2C1	ZINC001088175441	827226121	/nfs/dbraw/zinc/22/61/21/827226121.db2.gz	WKYPECUFFJTKGU-AEFFLSMTSA-N	1	0	351.450	1.446	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+]([C@H]4CCCN(C)C4=O)CC[C@@H]3C2)cn1	ZINC001088175427	827226214	/nfs/dbraw/zinc/22/62/14/827226214.db2.gz	VWUVBEMPAJVYTI-AOIWGVFYSA-N	1	0	366.465	1.078	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4nonc4C)C[C@H]3C2)CC1	ZINC001088212232	827493631	/nfs/dbraw/zinc/49/36/31/827493631.db2.gz	WOFJYCUDGQRWRW-MSOLQXFVSA-N	1	0	371.485	1.004	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4ccon4)C[C@H]3C2)CC1	ZINC001088212122	827493691	/nfs/dbraw/zinc/49/36/91/827493691.db2.gz	QMTNTXXVFNDMNG-MSOLQXFVSA-N	1	0	356.470	1.300	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C3CCN(C(=O)CCC)CC3)C[C@@H]2C1	ZINC001088209104	827503245	/nfs/dbraw/zinc/50/32/45/827503245.db2.gz	HKRGCFJFMINVOI-MOPGFXCFSA-N	1	0	359.514	1.829	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1ccccc1C	ZINC001168069320	827853636	/nfs/dbraw/zinc/85/36/36/827853636.db2.gz	ULXWZNWWEOVDFD-RBUKOAKNSA-N	1	0	370.497	1.957	20	30		FDEDRO
CN1C[C@@H](C(=O)N2CC[C@H]3CN(Cc4ccc(C#N)cc4F)C[C@H]32)CC1=O	ZINC001075855235	827932552	/nfs/dbraw/zinc/93/25/52/827932552.db2.gz	DQKBYRWHKPQHJJ-XYJFISCASA-N	1	0	370.428	1.208	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2C2CC2)C[C@H]1C(F)(F)F	ZINC001112186801	828042311	/nfs/dbraw/zinc/04/23/11/828042311.db2.gz	HMLLEONFKBJISV-ZIAGYGMSSA-N	1	0	370.375	1.529	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C1(c2ccc(OC)c(F)c2)CCOCC1	ZINC000444797956	828198488	/nfs/dbraw/zinc/19/84/88/828198488.db2.gz	FFWGRUDTWVXLON-UHFFFAOYSA-N	1	0	365.405	1.441	20	30		FDEDRO
N#Cc1ccc([C@@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)C(N)=O)cc1	ZINC000523734301	828262038	/nfs/dbraw/zinc/26/20/38/828262038.db2.gz	MITSQVXLHXGKBN-QGZVFWFLSA-N	1	0	352.394	1.572	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](CO)C[C@H](OCCOC)C2)CC1	ZINC000447774994	828884372	/nfs/dbraw/zinc/88/43/72/828884372.db2.gz	BORHNRPZVSEWRW-WMZOPIPTSA-N	1	0	369.506	1.082	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)C[C@@H]4CCNC4=O)[C@@H]3C2)c1	ZINC001075874151	828986559	/nfs/dbraw/zinc/98/65/59/828986559.db2.gz	IWPXNFPMDWLTDH-OKZBNKHCSA-N	1	0	352.438	1.117	20	30		FDEDRO
CCc1cccc2c1N(C(=O)C(=O)N(CCC#N)CCC[NH+](C)C)CC2	ZINC000527367214	829038984	/nfs/dbraw/zinc/03/89/84/829038984.db2.gz	UAYYMVXMPXCIAU-UHFFFAOYSA-N	1	0	356.470	1.832	20	30		FDEDRO
N#Cc1cccc(C[NH2+]CCCNC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)c1	ZINC001168095487	829108817	/nfs/dbraw/zinc/10/88/17/829108817.db2.gz	QMHPVSFQUHKQMO-RTBURBONSA-N	1	0	367.453	1.456	20	30		FDEDRO
COc1cc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)ccc1C#N	ZINC000448550160	829178847	/nfs/dbraw/zinc/17/88/47/829178847.db2.gz	RABYTKMMTOXAPA-AEFFLSMTSA-N	1	0	356.470	1.647	20	30		FDEDRO
COc1cc(CNC(=O)c2ccc(C#N)n2C)ccc1OCC[NH+](C)C	ZINC000448851422	829272485	/nfs/dbraw/zinc/27/24/85/829272485.db2.gz	CMOKSHRZAAHDKP-UHFFFAOYSA-N	1	0	356.426	1.776	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC1	ZINC000528365073	829361597	/nfs/dbraw/zinc/36/15/97/829361597.db2.gz	BBZXUDOZBDAXNA-ZWKOTPCHSA-N	1	0	373.453	1.011	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCCCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1	ZINC001088383208	829363116	/nfs/dbraw/zinc/36/31/16/829363116.db2.gz	YASPDGKLHHXVOM-KURKYZTESA-N	1	0	354.454	1.540	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1	ZINC000528350754	829363527	/nfs/dbraw/zinc/36/35/27/829363527.db2.gz	ADSOMOCQVAZTLV-QZTJIDSGSA-N	1	0	357.454	1.536	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1	ZINC000528381275	829372571	/nfs/dbraw/zinc/37/25/71/829372571.db2.gz	PPRKOQZUJWUDSM-ROUUACIJSA-N	1	0	357.454	1.632	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)CC#CCN2C(=O)c3ccccc3C2=O)[C@@H](C)C1	ZINC000528415844	829395112	/nfs/dbraw/zinc/39/51/12/829395112.db2.gz	JXYMDDKKHINQCV-LPHOPBHVSA-N	1	0	353.466	1.948	20	30		FDEDRO
CCOCCO[C@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000528423526	829404279	/nfs/dbraw/zinc/40/42/79/829404279.db2.gz	VOPOVSDDIRQBHH-INIZCTEOSA-N	1	0	356.422	1.413	20	30		FDEDRO
COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N	ZINC000841209283	829422465	/nfs/dbraw/zinc/42/24/65/829422465.db2.gz	ONUZDZVAQVTIQS-MJVIPROJSA-N	1	0	352.822	1.987	20	30		FDEDRO
Cc1noc(C[C@@]2(O)CCC[N@H+](C[C@H](O)COc3ccccc3C#N)C2)n1	ZINC000528528370	829436411	/nfs/dbraw/zinc/43/64/11/829436411.db2.gz	NSEHLPKMMKAZMT-LPHOPBHVSA-N	1	0	372.425	1.059	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]C[C@@H](O)c1cccc(OC)c1	ZINC001168109573	829529886	/nfs/dbraw/zinc/52/98/86/829529886.db2.gz	BTBRYCNFOCJJOK-OTWHNJEPSA-N	1	0	362.470	1.806	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CCc1nnn(C(C)(C)C)n1	ZINC001168109585	829530278	/nfs/dbraw/zinc/53/02/78/829530278.db2.gz	BYYAKAVOPCHNOL-HOCLYGCPSA-N	1	0	364.494	1.048	20	30		FDEDRO
CC(=O)N1CCN(C(=O)C2CC[NH+](Cc3ccc(C#N)c(C)c3)CC2)CC1	ZINC000449509680	829536807	/nfs/dbraw/zinc/53/68/07/829536807.db2.gz	WRUSWSQYIQCXQY-UHFFFAOYSA-N	1	0	368.481	1.769	20	30		FDEDRO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1	ZINC000528752253	829549264	/nfs/dbraw/zinc/54/92/64/829549264.db2.gz	ONFIIHSLJQKFIT-VYOWGEPCSA-N	1	0	365.518	1.619	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NC(CC)CC	ZINC001168110177	829550329	/nfs/dbraw/zinc/55/03/29/829550329.db2.gz	PZFGDLKZYVECQI-PVAVHDDUSA-N	1	0	353.507	1.757	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]C[C@@H](O)c1ccc(F)cc1	ZINC001168110294	829550602	/nfs/dbraw/zinc/55/06/02/829550602.db2.gz	RARBZDKEUUVXHR-KSZLIROESA-N	1	0	350.434	1.936	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](CN(C)Cc2cn(CC)nn2)C1	ZINC001029864158	829565486	/nfs/dbraw/zinc/56/54/86/829565486.db2.gz	GPAGIQUCXXBZKV-NJAFHUGGSA-N	1	0	361.490	1.560	20	30		FDEDRO
O=C1CC[C@@H]2CN(C(NCCc3ccco3)=[NH+]C[C@H]3CCCO3)CCN12	ZINC000262670873	830010821	/nfs/dbraw/zinc/01/08/21/830010821.db2.gz	PJXNDBWYHXXXAJ-NVXWUHKLSA-N	1	0	360.458	1.253	20	30		FDEDRO
CC(C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C1)[NH+](C)C	ZINC000985896387	830024937	/nfs/dbraw/zinc/02/49/37/830024937.db2.gz	WPKATWBTFIOPHG-SOLBZPMBSA-N	1	0	371.485	1.393	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)OC2(CC[NH+](CCCO)CC2)C1	ZINC001098646389	837428408	/nfs/dbraw/zinc/42/84/08/837428408.db2.gz	KWYOQFSOEBWDTF-SQNIBIBYSA-N	1	0	366.502	1.432	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1COC(=O)[C@H]1CC(=O)N(Cc2ccc(OC)cc2)C1	ZINC000729812379	837438286	/nfs/dbraw/zinc/43/82/86/837438286.db2.gz	UHCAZAYWZLEDER-ROUUACIJSA-N	1	0	370.449	1.685	20	30		FDEDRO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1	ZINC000451653981	830413912	/nfs/dbraw/zinc/41/39/12/830413912.db2.gz	NTBWBUYANQPSCI-VVJOJPPRSA-N	1	0	364.534	1.693	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](C(=O)NC[C@@H]3CCCC[N@H+]3CCO)C2)c(F)c1	ZINC000452382619	830628956	/nfs/dbraw/zinc/62/89/56/830628956.db2.gz	YRUZIFHFUZKLOE-SJORKVTESA-N	1	0	374.460	1.487	20	30		FDEDRO
N#CCN1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1	ZINC000531358773	830707487	/nfs/dbraw/zinc/70/74/87/830707487.db2.gz	BCWOBPAQMPNUEW-RBUKOAKNSA-N	1	0	355.486	1.645	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)c1	ZINC000453652466	831002866	/nfs/dbraw/zinc/00/28/66/831002866.db2.gz	KRRYQDKIEGZTNL-UHFFFAOYSA-N	1	0	370.453	1.262	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1	ZINC000453679118	831013961	/nfs/dbraw/zinc/01/39/61/831013961.db2.gz	RZWPMNIZDCXMBH-INIZCTEOSA-N	1	0	354.454	1.996	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1	ZINC000453703681	831027449	/nfs/dbraw/zinc/02/74/49/831027449.db2.gz	ZOAGAYYMRWWHDD-KRWDZBQOSA-N	1	0	354.454	1.996	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1CCO	ZINC000453822693	831100869	/nfs/dbraw/zinc/10/08/69/831100869.db2.gz	QKSUCVIIVXRSSC-KRWDZBQOSA-N	1	0	359.470	1.707	20	30		FDEDRO
CC1CC(C#N)(C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1	ZINC000532321460	831136271	/nfs/dbraw/zinc/13/62/71/831136271.db2.gz	FGNXCCLWLQFNDW-BPVAQJAMSA-N	1	0	368.481	1.940	20	30		FDEDRO
C[NH+]=C(NCc1ccnc(C)n1)N[C@@H]1CCN(c2cccc(OC)c2)C1	ZINC000262741840	831201052	/nfs/dbraw/zinc/20/10/52/831201052.db2.gz	DVRTZKSRXHUIHR-MRXNPFEDSA-N	1	0	354.458	1.738	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1	ZINC000986151498	831210796	/nfs/dbraw/zinc/21/07/96/831210796.db2.gz	LQZSSVXUPBAVEP-ZACQAIPSSA-N	1	0	360.502	1.717	20	30		FDEDRO
C#CCN1CCC[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1	ZINC001029921454	831225620	/nfs/dbraw/zinc/22/56/20/831225620.db2.gz	IQGUXTOCJPVZLA-GBESFXJTSA-N	1	0	369.465	1.146	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cn2c(C)csc2=O)C[C@H]1C(F)(F)F	ZINC001112204658	831231047	/nfs/dbraw/zinc/23/10/47/831231047.db2.gz	DKWKOAPMBJMXHG-VXGBXAGGSA-N	1	0	363.405	1.773	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3ncc[nH]3)C[C@H]2C1	ZINC000986183877	831263311	/nfs/dbraw/zinc/26/33/11/831263311.db2.gz	RIGBARSWGPQKFY-TWMKSMIVSA-N	1	0	372.469	1.240	20	30		FDEDRO
COc1cc(C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)ccc1OCC(N)=O	ZINC000360058455	831284670	/nfs/dbraw/zinc/28/46/70/831284670.db2.gz	LRLOIDKJXHJOAN-TWMKSMIVSA-N	1	0	373.453	1.889	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4CC45CC5)C[C@H]3C2)CC1	ZINC000986247239	831359825	/nfs/dbraw/zinc/35/98/25/831359825.db2.gz	YDFWNAYXQCETNW-QYZOEREBSA-N	1	0	369.509	1.439	20	30		FDEDRO
[NH2+]=C(NCc1ccc(OC(F)F)cn1)N1CCN(c2ncccn2)CC1	ZINC000262792838	831458944	/nfs/dbraw/zinc/45/89/44/831458944.db2.gz	OOSLLPFDCUBSFI-UHFFFAOYSA-N	1	0	363.372	1.110	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@H](CCNC(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC001059730989	831999076	/nfs/dbraw/zinc/99/90/76/831999076.db2.gz	VSSLHSNPENBZBF-IIAWOOMASA-N	1	0	357.458	1.195	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]3C2)CC1	ZINC000986594568	832007488	/nfs/dbraw/zinc/00/74/88/832007488.db2.gz	SLISFUUUPCFVES-NXHRZFHOSA-N	1	0	360.502	1.573	20	30		FDEDRO
C#Cc1ccc(C(=O)NCC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC001059732811	832066135	/nfs/dbraw/zinc/06/61/35/832066135.db2.gz	XXAVEXWTAKHILP-IMFGXOCKSA-N	1	0	367.493	1.977	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)CC)C[C@H]1C(F)(F)F	ZINC001112212228	832069673	/nfs/dbraw/zinc/06/96/73/832069673.db2.gz	UDLHULWMAJYEHP-VXGBXAGGSA-N	1	0	356.410	1.366	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC(=O)C2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088519427	832381887	/nfs/dbraw/zinc/38/18/87/832381887.db2.gz	UTBRCTFBDSIAJM-HFTRVMKXSA-N	1	0	370.453	1.194	20	30		FDEDRO
COc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[C@@H]3COC(=O)C3)[C@H]2C)cc1C#N	ZINC001088523146	832410413	/nfs/dbraw/zinc/41/04/13/832410413.db2.gz	SSKSNJZPMWPBFN-KMFMINBZSA-N	1	0	371.437	1.599	20	30		FDEDRO
C#CCC1(C(=O)N2CC[C@H](CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CCC1	ZINC001059759450	832417713	/nfs/dbraw/zinc/41/77/13/832417713.db2.gz	VUENFLZPVUYHLP-FGTMMUONSA-N	1	0	359.514	1.875	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)COC[C@@H]2CCCO2)C[C@H]1C(F)(F)F	ZINC001112220155	832494553	/nfs/dbraw/zinc/49/45/53/832494553.db2.gz	OMYLQPFPRZRVJO-BFHYXJOUSA-N	1	0	350.381	1.737	20	30		FDEDRO
C=CCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1	ZINC001075886867	832698184	/nfs/dbraw/zinc/69/81/84/832698184.db2.gz	NJHRDOITXJWAFX-WDYCEAGBSA-N	1	0	365.518	1.711	20	30		FDEDRO
CC[NH+]=C(NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)N1CCN(C(C)=O)CC1	ZINC000263262715	832753766	/nfs/dbraw/zinc/75/37/66/832753766.db2.gz	TYHGWBAZUJNBKQ-IYBDPMFKSA-N	1	0	367.538	1.004	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)C1	ZINC000987646414	833511773	/nfs/dbraw/zinc/51/17/73/833511773.db2.gz	GCMHGVZKKZUWIP-RKVPGOIHSA-N	1	0	371.485	1.583	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000987922486	833789807	/nfs/dbraw/zinc/78/98/07/833789807.db2.gz	CXSAOAPLQBJKFC-CKEIUWERSA-N	1	0	357.458	1.147	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC000987952482	833837143	/nfs/dbraw/zinc/83/71/43/833837143.db2.gz	KJNYKAAJBLNTIE-DYVFJYSZSA-N	1	0	357.458	1.337	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@@H]1C	ZINC000987962804	833871862	/nfs/dbraw/zinc/87/18/62/833871862.db2.gz	MWTQUDGUWCLOAN-HFTRVMKXSA-N	1	0	371.485	1.868	20	30		FDEDRO
CCNC(=O)C(C)(C)CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000305218066	834570275	/nfs/dbraw/zinc/57/02/75/834570275.db2.gz	SCAXRPGFXLXUGT-CYBMUJFWSA-N	1	0	367.494	1.029	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1	ZINC000163412083	834942508	/nfs/dbraw/zinc/94/25/08/834942508.db2.gz	KZGBQJYIVPEZDP-AWEZNQCLSA-N	1	0	360.389	1.267	20	30		FDEDRO
CCN(CC)C(=O)CN1CCCN(Cc2c(C#N)cccc2[N+](=O)[O-])CC1	ZINC000459317743	834972070	/nfs/dbraw/zinc/97/20/70/834972070.db2.gz	UMFNLZDGVBYQOL-UHFFFAOYSA-N	1	0	373.457	1.843	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCc2ncncc2C1)C(C)C	ZINC000897476648	834986200	/nfs/dbraw/zinc/98/62/00/834986200.db2.gz	BYPVEDPASVTKIQ-GOSISDBHSA-N	1	0	371.485	1.176	20	30		FDEDRO
C=CC[N@@H+](CCN1C(=O)N[C@@H](C)C1=O)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000459339491	835008300	/nfs/dbraw/zinc/00/83/00/835008300.db2.gz	DGTZDEXZDDJWLD-UONOGXRCSA-N	1	0	369.429	1.152	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2nnn(C(C)(C)C)n2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088582224	835277544	/nfs/dbraw/zinc/27/75/44/835277544.db2.gz	DTMOUCFWMIFJGN-CJNGLKHVSA-N	1	0	367.457	1.693	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000988475907	835300319	/nfs/dbraw/zinc/30/03/19/835300319.db2.gz	HICIJUGJEFQKRY-SQNIBIBYSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCOCCC(C)C)C[C@H]1OC	ZINC001211972642	835323118	/nfs/dbraw/zinc/32/31/18/835323118.db2.gz	URHGIIOLVXYMCF-RCCFBDPRSA-N	1	0	356.507	1.846	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1	ZINC000245473141	835353497	/nfs/dbraw/zinc/35/34/97/835353497.db2.gz	ZYWJTIDIVKDPJL-SJORKVTESA-N	1	0	370.453	1.236	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3cc[nH]c3CC)[C@@H]2C)CC1	ZINC000988506410	835658463	/nfs/dbraw/zinc/65/84/63/835658463.db2.gz	LNBXNVDGLAOSDX-BEFAXECRSA-N	1	0	370.497	1.642	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1C	ZINC000988540086	835851296	/nfs/dbraw/zinc/85/12/96/835851296.db2.gz	KYGTXQCHUSMENO-OIISXLGYSA-N	1	0	371.485	1.868	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1OC	ZINC001211994793	836028166	/nfs/dbraw/zinc/02/81/66/836028166.db2.gz	LDZNQDDYZLNTKP-RCCFBDPRSA-N	1	0	364.490	1.297	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)[C@@H]1C	ZINC000988630669	836333709	/nfs/dbraw/zinc/33/37/09/836333709.db2.gz	ZJNHGYSVCWLIEX-BBWFWOEESA-N	1	0	358.486	1.735	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](CCCc2cccc(F)c2)C[C@H]1OC	ZINC001212032220	836347747	/nfs/dbraw/zinc/34/77/47/836347747.db2.gz	PYHRQWHPFSYCAA-QZTJIDSGSA-N	1	0	350.434	1.776	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](OC)C2CCCC2)C[C@H]1OC	ZINC001212092812	837107660	/nfs/dbraw/zinc/10/76/60/837107660.db2.gz	SHECWYJBGVWNSJ-CEXWTWQISA-N	1	0	368.518	1.990	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C#C)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105669494	844250755	/nfs/dbraw/zinc/25/07/55/844250755.db2.gz	SIKDSFNWBNUOEX-VMBXEPDQSA-N	1	0	365.477	1.666	20	30		FDEDRO
[NH2+]=C(NC[C@@H]1CCCN(c2nccn3cnnc23)C1)NC1CCCCCC1	ZINC000261969128	837379138	/nfs/dbraw/zinc/37/91/38/837379138.db2.gz	COUBJUXYRHNFLB-HNNXBMFYSA-N	1	0	370.505	1.968	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)C[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000938097262	838332903	/nfs/dbraw/zinc/33/29/03/838332903.db2.gz	PXKDDJFJQSDWQT-FHWLQOOXSA-N	1	0	357.498	1.485	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc3nonc3c2)[C@@H]1C	ZINC001088631410	838603949	/nfs/dbraw/zinc/60/39/49/838603949.db2.gz	KCNCXGAYYAMDGF-ALKREAHSSA-N	1	0	367.453	1.399	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]1C	ZINC000989189496	838636745	/nfs/dbraw/zinc/63/67/45/838636745.db2.gz	YTJMGXVNOCOVOL-MNEFBYGVSA-N	1	0	355.482	1.656	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@@H]1C	ZINC000989192093	838649031	/nfs/dbraw/zinc/64/90/31/838649031.db2.gz	ZACGKOLTHKKXEI-LZQZEXGQSA-N	1	0	353.466	1.268	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cnc3n2CCOC3)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088636655	838692233	/nfs/dbraw/zinc/69/22/33/838692233.db2.gz	OWABHHAGKWBOCJ-PBHICJAKSA-N	1	0	365.437	1.678	20	30		FDEDRO
CCN(C(=O)C(=O)N(C)C[C@@H](C)C#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000459910918	839104738	/nfs/dbraw/zinc/10/47/38/839104738.db2.gz	WANRFRLRMHIAEG-FUHWJXTLSA-N	1	0	356.470	1.727	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN(c3cncc(C#N)n3)C2)CC[N@@H+]1C	ZINC001059968330	839517544	/nfs/dbraw/zinc/51/75/44/839517544.db2.gz	BEXIDLGMYHJNOX-BHYGNILZSA-N	1	0	356.474	1.411	20	30		FDEDRO
C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)CCO2	ZINC001105480719	839758180	/nfs/dbraw/zinc/75/81/80/839758180.db2.gz	JRPSDRKHLNJHDQ-JFBVMJNESA-N	1	0	363.502	1.594	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@H]1C1(C[NH2+]CC(N)=O)CCC1	ZINC001105540095	839942708	/nfs/dbraw/zinc/94/27/08/839942708.db2.gz	YVPZGDHFKIPHBA-IKGGRYGDSA-N	1	0	363.502	1.594	20	30		FDEDRO
COCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC#Cc3ccccc3)C2)[C@@H]1C(C)C	ZINC001105579043	839997708	/nfs/dbraw/zinc/99/77/08/839997708.db2.gz	KGOKMCNDAORQFJ-WKDRNLAYSA-N	1	0	370.493	1.651	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccncc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105587883	840034027	/nfs/dbraw/zinc/03/40/27/840034027.db2.gz	OJDKCLMDJKYELG-BNDYYXHWSA-N	1	0	371.481	1.311	20	30		FDEDRO
C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000476161985	840052971	/nfs/dbraw/zinc/05/29/71/840052971.db2.gz	NQSNHBPBMOCZFR-RKVPGOIHSA-N	1	0	354.454	1.600	20	30		FDEDRO
CC[C@H](C(=O)N1CC[C@H]2CN(Cc3ccc(OC)c(C#N)c3)C[C@H]21)[NH+](C)C	ZINC001075940514	840074906	/nfs/dbraw/zinc/07/49/06/840074906.db2.gz	TVTUUEMXMBMATA-QXAKKESOSA-N	1	0	370.497	1.940	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)C(=O)[C@H]([NH2+]C(C)C)c2ccc(OC)cc2)C1=O	ZINC000897651122	840171740	/nfs/dbraw/zinc/17/17/40/840171740.db2.gz	SHIXFFVDPOKTKH-QZTJIDSGSA-N	1	0	359.470	1.980	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C(=O)[C@@H]([NH2+]C(C)C)c2ccc(OC)cc2)C1=O	ZINC000897651123	840174039	/nfs/dbraw/zinc/17/40/39/840174039.db2.gz	SHIXFFVDPOKTKH-ROUUACIJSA-N	1	0	359.470	1.980	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105593505	840260264	/nfs/dbraw/zinc/26/02/64/840260264.db2.gz	AQIJUEGRWFLLJP-MLYOOKFZSA-N	1	0	361.486	1.797	20	30		FDEDRO
C#C[C@@H](NC(=O)C1C[NH+]([C@@H]2CCOC2)C1)c1ccc(Br)cc1	ZINC000897873664	840526227	/nfs/dbraw/zinc/52/62/27/840526227.db2.gz	UECSAXKAEMWQML-HZPDHXFCSA-N	1	0	363.255	1.960	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)CSCC#N)C[C@@]12C[C@@H](O)[C@H]([NH2+]C/C=C\Cl)C2	ZINC001105600214	840968386	/nfs/dbraw/zinc/96/83/86/840968386.db2.gz	DBKXRTUUYUMJSX-AKQHHIPISA-N	1	0	371.934	1.962	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(CC)n[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105600758	841012511	/nfs/dbraw/zinc/01/25/11/841012511.db2.gz	MMZCAISQKVBJMI-FTEYMNFISA-N	1	0	358.486	1.575	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)nn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105600984	841028090	/nfs/dbraw/zinc/02/80/90/841028090.db2.gz	QHYBLHMHMGCRSW-PHXBYCTMSA-N	1	0	360.502	1.884	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCOC(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105601413	841033098	/nfs/dbraw/zinc/03/30/98/841033098.db2.gz	YBMWLQMZSBEVAY-LFGUQSLTSA-N	1	0	350.503	1.791	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)CSCC#N)C[C@@]12C[C@@H](O)[C@H]([NH2+]CC1CC1)C2	ZINC001105601081	841039057	/nfs/dbraw/zinc/03/90/57/841039057.db2.gz	RREMWEJWZYCCNY-XYVMCAHJSA-N	1	0	351.516	1.619	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@H]([NH3+])[C@H](CC)C1	ZINC000643494656	841623442	/nfs/dbraw/zinc/62/34/42/841623442.db2.gz	USIJFILNJZFLMG-AEFFLSMTSA-N	1	0	359.470	1.796	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnccc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105612179	841961885	/nfs/dbraw/zinc/96/18/85/841961885.db2.gz	YDGQLBPQIZKFNE-WERVVEIQSA-N	1	0	355.482	1.993	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nnn(C)c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105612257	841998764	/nfs/dbraw/zinc/99/87/64/841998764.db2.gz	YWRABCRHKADGHM-RRIFGTCXSA-N	1	0	361.490	1.279	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3oc(C)nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105613778	842224945	/nfs/dbraw/zinc/22/49/45/842224945.db2.gz	BSXDFDAQPPLOQA-HBXLWWENSA-N	1	0	359.470	1.894	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CNC(=O)CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105613806	842225325	/nfs/dbraw/zinc/22/53/25/842225325.db2.gz	CABTVMXXSONSMX-YAJHFMINSA-N	1	0	365.518	1.445	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)c2cc(C#N)c[nH]2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCF)C2	ZINC001105614995	842228736	/nfs/dbraw/zinc/22/87/36/842228736.db2.gz	NBYDCXUPQQVXEY-VXNCWWDNSA-N	1	0	362.449	1.826	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(OC)no3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619105	842235603	/nfs/dbraw/zinc/23/56/03/842235603.db2.gz	FUCWYMOBLDGPEE-BCXHYRKLSA-N	1	0	361.442	1.286	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(OC)no3)[C@H]2C(C)C)C[C@H]1O	ZINC001105619108	842235761	/nfs/dbraw/zinc/23/57/61/842235761.db2.gz	FUCWYMOBLDGPEE-XNWVLMOPSA-N	1	0	361.442	1.286	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619353	842237069	/nfs/dbraw/zinc/23/70/69/842237069.db2.gz	JMPWMOFNYSQSQZ-DLVXIWMQSA-N	1	0	360.502	1.966	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619807	842239353	/nfs/dbraw/zinc/23/93/53/842239353.db2.gz	REQIUEAKQVHOMN-SOAMZJECSA-N	1	0	354.454	1.489	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCn3ccnn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619747	842239411	/nfs/dbraw/zinc/23/94/11/842239411.db2.gz	QBAYSKARSKCFFE-RWQQGDIJSA-N	1	0	361.490	1.210	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(F)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105620034	842241281	/nfs/dbraw/zinc/24/12/81/842241281.db2.gz	VLRDWBQRJLIACI-MLYOOKFZSA-N	1	0	359.445	1.824	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(=O)NC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105622899	842248840	/nfs/dbraw/zinc/24/88/40/842248840.db2.gz	JVTWNTZXQUNQDL-OHDICMOHSA-N	1	0	351.491	1.055	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN(C)C(=O)C(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105631346	842264202	/nfs/dbraw/zinc/26/42/02/842264202.db2.gz	ACOLLHCLTPSASB-HBXLWWENSA-N	1	0	365.518	1.253	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCOCC3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105631364	842264321	/nfs/dbraw/zinc/26/43/21/842264321.db2.gz	AHAOHBBXBPNMHD-VURPSTOHSA-N	1	0	362.514	1.793	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3[nH]c(=O)[nH]c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105637982	842274657	/nfs/dbraw/zinc/27/46/57/842274657.db2.gz	YMMKJCNZTGKBSM-GTACMHHNSA-N	1	0	360.458	1.027	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCC)C2)[C@@H]1C(C)C	ZINC001105632695	842280533	/nfs/dbraw/zinc/28/05/33/842280533.db2.gz	NLFZJMDTWGPGJU-JYBIWHBTSA-N	1	0	350.503	1.793	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCC(=C)C)C2)[C@H]1C(C)C	ZINC001105633748	842282634	/nfs/dbraw/zinc/28/26/34/842282634.db2.gz	WIRNBMMZSXJOJK-VURPSTOHSA-N	1	0	362.514	1.959	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cncc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105641452	842291738	/nfs/dbraw/zinc/29/17/38/842291738.db2.gz	BGYMECHGSMXHCC-JYBIWHBTSA-N	1	0	360.502	1.734	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cncc(C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105643098	842329003	/nfs/dbraw/zinc/32/90/03/842329003.db2.gz	SFRGNHCFMLVAFQ-WKDRNLAYSA-N	1	0	369.509	1.922	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cncc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105643415	842335695	/nfs/dbraw/zinc/33/56/95/842335695.db2.gz	XYKHUJZTFGUFNJ-HNBVOPMISA-N	1	0	358.486	1.181	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)cnn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105646593	842408694	/nfs/dbraw/zinc/40/86/94/842408694.db2.gz	KKGBJMLRXMGEPK-CIWUYKSXSA-N	1	0	358.486	1.332	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@@H]1C(C)C	ZINC001105647679	842414664	/nfs/dbraw/zinc/41/46/64/842414664.db2.gz	SVDGKRLMHNSYNU-WWNBULGVSA-N	1	0	352.519	1.937	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)COC)[C@H]2C(C)C)C[C@H]1O	ZINC001105647701	842414690	/nfs/dbraw/zinc/41/46/90/842414690.db2.gz	UADMSTFXWOVPCG-PDOICOKGSA-N	1	0	350.503	1.648	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCn3ccnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105648099	842415869	/nfs/dbraw/zinc/41/58/69/842415869.db2.gz	WTJLUUWJRCFCGR-JYBIWHBTSA-N	1	0	358.486	1.263	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@H]2C(C)C)C[C@H]1O	ZINC001105652156	842451709	/nfs/dbraw/zinc/45/17/09/842451709.db2.gz	KUESOYYZZRSUKP-JIDXGHHUSA-N	1	0	362.514	1.811	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@@H]2C(C)C)C[C@H]1O	ZINC001105652159	842451881	/nfs/dbraw/zinc/45/18/81/842451881.db2.gz	KUESOYYZZRSUKP-RLJYVQKJSA-N	1	0	362.514	1.811	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCF)[C@@H]2C(C)C)C[C@H]1O	ZINC001105652360	842453771	/nfs/dbraw/zinc/45/37/71/842453771.db2.gz	LJRWBFGOLSWTNG-RGCFKVTRSA-N	1	0	369.481	1.004	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3n[nH]cc3F)[C@H]2C(C)C)C[C@H]1O	ZINC001105654795	842475887	/nfs/dbraw/zinc/47/58/87/842475887.db2.gz	BQXLUIMSFSFUIF-AHEZYBDSSA-N	1	0	350.438	1.705	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccn(CC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105656243	842492288	/nfs/dbraw/zinc/49/22/88/842492288.db2.gz	OJNPFIGSKJVLQC-SOAMZJECSA-N	1	0	358.486	1.506	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3nccc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105657238	842496973	/nfs/dbraw/zinc/49/69/73/842496973.db2.gz	XJDZZXCFCBJWNI-JYBIWHBTSA-N	1	0	360.502	1.734	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3nccc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105657236	842497055	/nfs/dbraw/zinc/49/70/55/842497055.db2.gz	XJDZZXCFCBJWNI-HNBVOPMISA-N	1	0	360.502	1.734	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3nccc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105657239	842497193	/nfs/dbraw/zinc/49/71/93/842497193.db2.gz	XJDZZXCFCBJWNI-LFGUQSLTSA-N	1	0	360.502	1.734	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccnc3OC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105660451	842535977	/nfs/dbraw/zinc/53/59/77/842535977.db2.gz	VGKIWFTXMKVYOF-IKVWTGGYSA-N	1	0	371.481	1.693	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(CC)o4)[C@@H]3C2)C1=O	ZINC001075955549	842600076	/nfs/dbraw/zinc/60/00/76/842600076.db2.gz	OULGUOJXCACUHE-USXIJHARSA-N	1	0	357.454	1.775	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2C)C[C@@H]1O	ZINC001083470713	842635032	/nfs/dbraw/zinc/63/50/32/842635032.db2.gz	IXESAFARGHCVFV-ZRNYENFQSA-N	1	0	358.482	1.946	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)n[nH]c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105661455	842713331	/nfs/dbraw/zinc/71/33/31/842713331.db2.gz	IUMHEBYWWQVSPB-QQTQMKHKSA-N	1	0	358.486	1.630	20	30		FDEDRO
COc1c[nH]c(C(=O)N[C@H]2CCN(Cc3ccccc3C#N)[C@@H]2C)cc1=O	ZINC001088748247	842849296	/nfs/dbraw/zinc/84/92/96/842849296.db2.gz	WUWYGXCAPZUDBL-CJNGLKHVSA-N	1	0	366.421	1.648	20	30		FDEDRO
C=C(C)Cn1c(COCC)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1	ZINC000460944539	842907630	/nfs/dbraw/zinc/90/76/30/842907630.db2.gz	RYXLCZNYRUVTKE-QGZVFWFLSA-N	1	0	362.522	1.607	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(CC)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105665751	843018116	/nfs/dbraw/zinc/01/81/16/843018116.db2.gz	BVCBPLWRDYDLTO-DLVXIWMQSA-N	1	0	358.486	1.506	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCCC(N)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105666408	843139563	/nfs/dbraw/zinc/13/95/63/843139563.db2.gz	FHQPQSJYSNADHP-XNFNUYLZSA-N	1	0	365.518	1.574	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(=O)NCC3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105667178	843518696	/nfs/dbraw/zinc/51/86/96/843518696.db2.gz	OZBJETRFTURVSG-YAJHFMINSA-N	1	0	363.502	1.055	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(=O)NCC3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667177	843518987	/nfs/dbraw/zinc/51/89/87/843518987.db2.gz	OZBJETRFTURVSG-XNFNUYLZSA-N	1	0	363.502	1.055	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C(=O)NCC3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105667988	843745757	/nfs/dbraw/zinc/74/57/57/843745757.db2.gz	VLQDJWWRNSIBKK-PDOICOKGSA-N	1	0	363.502	1.055	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCCC(N)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105668025	843749369	/nfs/dbraw/zinc/74/93/69/843749369.db2.gz	VXHPRAXYYFANCJ-OHDICMOHSA-N	1	0	351.491	1.184	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC([NH+]2CCCC2)C1	ZINC000898614612	844933191	/nfs/dbraw/zinc/93/31/91/844933191.db2.gz	XCJAKQUNMLTPLQ-UHFFFAOYSA-N	1	0	352.442	1.457	20	30		FDEDRO
Cc1c(C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cnn1CCC#N	ZINC000898667133	844991277	/nfs/dbraw/zinc/99/12/77/844991277.db2.gz	VCFQQODGDQKWRZ-SFHVURJKSA-N	1	0	367.453	1.602	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCOCCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105672869	845224866	/nfs/dbraw/zinc/22/48/66/845224866.db2.gz	DEYPGFFGYJZOAW-JYBIWHBTSA-N	1	0	366.502	1.029	20	30		FDEDRO
CC[C@H](C#N)Oc1cccc(CNC(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)c1	ZINC000842180362	845368545	/nfs/dbraw/zinc/36/85/45/845368545.db2.gz	MXLQCSTVZDZNCD-XYJFISCASA-N	1	0	374.485	1.964	20	30		FDEDRO
Cn1cc(C[NH2+]C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1C#N	ZINC000480653314	845581660	/nfs/dbraw/zinc/58/16/60/845581660.db2.gz	ONEUBKNWMNGKPG-INIZCTEOSA-N	1	0	354.410	1.311	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](CCc2ccc(OC)cc2)C[C@@H]1O	ZINC001083526414	846412543	/nfs/dbraw/zinc/41/25/43/846412543.db2.gz	QTOZFSNBRQUPTM-QUCCMNQESA-N	1	0	369.465	1.700	20	30		FDEDRO
C=C[C@@H](O)C(=O)Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1	ZINC000667938875	846858844	/nfs/dbraw/zinc/85/88/44/846858844.db2.gz	SXKVXTZQCKCABR-HXUWFJFHSA-N	1	0	366.465	1.932	20	30		FDEDRO
COc1nccc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)n1	ZINC001076025987	847078851	/nfs/dbraw/zinc/07/88/51/847078851.db2.gz	OEWWOAPFSMGGMH-FUHWJXTLSA-N	1	0	363.421	1.703	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)Cc4ccc(=O)[nH]c4)[C@@H]3C2)cc1	ZINC001076055369	847174225	/nfs/dbraw/zinc/17/42/25/847174225.db2.gz	JNLLDPYIMHPWKX-RBUKOAKNSA-N	1	0	362.433	1.934	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H]3CCN(C(=O)CCc4cn[nH]n4)[C@@H]3C2)cc1F	ZINC001076262416	847717109	/nfs/dbraw/zinc/71/71/09/847717109.db2.gz	BARBXBRFPKQQEC-MAUKXSAKSA-N	1	0	368.416	1.481	20	30		FDEDRO
C=CCOC(=O)C[C@H](NC1CC[NH+](CC2CC2)CC1)C(=O)OCC=C	ZINC001168366565	847792296	/nfs/dbraw/zinc/79/22/96/847792296.db2.gz	WNJSZJQXUIDUEM-KRWDZBQOSA-N	1	0	350.459	1.668	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(NC(=O)CC2CC[NH+](C)CC2)C1	ZINC000991444056	861837355	/nfs/dbraw/zinc/83/73/55/861837355.db2.gz	DJRDAVIACNWADI-HKUYNNGSSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4coc(C5CC5)n4)[C@@H]3C2)C1=O	ZINC001076332054	847903352	/nfs/dbraw/zinc/90/33/52/847903352.db2.gz	QHYMSHHJZPBXMF-BHYGNILZSA-N	1	0	370.453	1.485	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(C[C@H]4CCOC4)nn3)[C@@H]2C1	ZINC001076412208	848079062	/nfs/dbraw/zinc/07/90/62/848079062.db2.gz	UWKUDPZWGIIOBS-SOLBZPMBSA-N	1	0	359.474	1.427	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(Cc4ccc(C#N)s4)C[C@H]32)C1	ZINC001076462337	848212930	/nfs/dbraw/zinc/21/29/30/848212930.db2.gz	QPZOSQXQHBAHCY-RLFYNMQTSA-N	1	0	358.511	1.994	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCc4ccccc4)[C@@H]3C2)C1=O	ZINC001076492599	848273043	/nfs/dbraw/zinc/27/30/43/848273043.db2.gz	WVRUNWPXRKISRG-XUVXKRRUSA-N	1	0	367.493	1.939	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21	ZINC001076504914	848304478	/nfs/dbraw/zinc/30/44/78/848304478.db2.gz	YGQFVHFFEGLTLE-IPMKNSEASA-N	1	0	351.450	1.022	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(Cc4ncc(C)cn4)C[C@H]32)CC1	ZINC001076604476	848553492	/nfs/dbraw/zinc/55/34/92/848553492.db2.gz	HWEROUFMJWNOGD-RBUKOAKNSA-N	1	0	367.497	1.163	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)cc1	ZINC001076617004	848583481	/nfs/dbraw/zinc/58/34/81/848583481.db2.gz	FMBJXOPDBKZEHK-QXAKKESOSA-N	1	0	369.465	1.215	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(F)s4)[C@@H]3C2)C1=O	ZINC001076630058	848601611	/nfs/dbraw/zinc/60/16/11/848601611.db2.gz	KDFPBVPQFKBVGD-MELADBBJSA-N	1	0	363.458	1.820	20	30		FDEDRO
Cc1nc(C)c(C(=O)N[C@@H]2CN(Cc3ccc(OCC#N)cc3)C[C@H]2O)o1	ZINC001076838544	849165861	/nfs/dbraw/zinc/16/58/61/849165861.db2.gz	BZTMHQFEFSFMMK-IAGOWNOFSA-N	1	0	370.409	1.169	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@H]1O	ZINC001077018207	849550445	/nfs/dbraw/zinc/55/04/45/849550445.db2.gz	RVNVGBKSBRSRCH-NCYKPQTJSA-N	1	0	370.493	1.818	20	30		FDEDRO
C[NH+]=C(NCCN1C(=O)c2ccccc2C1=O)N(C)Cc1cccn1C	ZINC000160899957	849566668	/nfs/dbraw/zinc/56/66/68/849566668.db2.gz	ZUAGTRGDXDRWNZ-UHFFFAOYSA-N	1	0	353.426	1.329	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1	ZINC001077164736	849968305	/nfs/dbraw/zinc/96/83/05/849968305.db2.gz	XZQVZHBXLIXLHZ-ZJPYXAASSA-N	1	0	363.502	1.295	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1O	ZINC001077280560	850380066	/nfs/dbraw/zinc/38/00/66/850380066.db2.gz	DAVUPBYCAAXIQG-HSALFYBXSA-N	1	0	370.497	1.340	20	30		FDEDRO
C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(O)Cc1ccc(F)cc1	ZINC000904178366	851020942	/nfs/dbraw/zinc/02/09/42/851020942.db2.gz	HCACQEKGPHJOQF-AWEZNQCLSA-N	1	0	355.410	1.998	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1	ZINC000904295972	851083312	/nfs/dbraw/zinc/08/33/12/851083312.db2.gz	ZDKVYJZZWRDRDH-NUEKZKHPSA-N	1	0	364.471	1.508	20	30		FDEDRO
C=C[C@](C)(O)C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000668408198	851264829	/nfs/dbraw/zinc/26/48/29/851264829.db2.gz	MHRXAJSAIHYPHY-SFHVURJKSA-N	1	0	351.878	1.905	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1	ZINC000904958682	851553382	/nfs/dbraw/zinc/55/33/82/851553382.db2.gz	BCFMJMXYPBMIJK-WBVHZDCISA-N	1	0	374.510	1.959	20	30		FDEDRO
C#Cc1cccc(C[NH2+]C[C@H](O)CC2(O)CCC(C(=O)OCC)CC2)c1	ZINC000905282039	851814802	/nfs/dbraw/zinc/81/48/02/851814802.db2.gz	XSBGPPVEURCQAP-OBXNSHGQSA-N	1	0	359.466	1.993	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1ccc2[nH]c(=O)n(CC(F)(F)F)c2c1	ZINC000913523927	862289319	/nfs/dbraw/zinc/28/93/19/862289319.db2.gz	RRSGJZWCAKJFJE-UHFFFAOYSA-N	1	0	354.332	1.599	20	30		FDEDRO
C=CC[C@H](CO)[NH2+]C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2	ZINC000905356889	851855072	/nfs/dbraw/zinc/85/50/72/851855072.db2.gz	ITCBHRHLXIOWSH-HZPDHXFCSA-N	1	0	372.387	1.694	20	30		FDEDRO
C#C[C@@H]([NH2+]C[C@@H](O)CC1(O)CCC(C(=O)OCC)CC1)C1CCOCC1	ZINC000905384371	851882752	/nfs/dbraw/zinc/88/27/52/851882752.db2.gz	WBQVDOOUUJCGMZ-AGYKMIKPSA-N	1	0	367.486	1.240	20	30		FDEDRO
CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NCC#CC[NH+](C)C	ZINC000913516278	862298500	/nfs/dbraw/zinc/29/85/00/862298500.db2.gz	JHXVXOCMWUFAPG-QGZVFWFLSA-N	1	0	362.449	1.331	20	30		FDEDRO
C#CCN1CCC[C@H]([NH2+]C[C@@H](O)COc2ccc(CCC(C)=O)cc2)C1	ZINC000905461723	851962731	/nfs/dbraw/zinc/96/27/31/851962731.db2.gz	RQLOJUCWISJOHT-VQTJNVASSA-N	1	0	358.482	1.635	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]CCN2Cc3ccccc3OCC2=O)CCOCC1	ZINC000905517013	852009951	/nfs/dbraw/zinc/00/99/51/852009951.db2.gz	OWXBTCPCEAZTHL-QGZVFWFLSA-N	1	0	373.453	1.069	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1	ZINC000905636257	852105898	/nfs/dbraw/zinc/10/58/98/852105898.db2.gz	GNTLNOBCCSMQOH-IRFCIJBXSA-N	1	0	352.434	1.980	20	30		FDEDRO
Cn1cc([C@]2(C[NH2+]C[C@H](O)COc3ccccc3C#N)CCCO2)cn1	ZINC000905685358	852176395	/nfs/dbraw/zinc/17/63/95/852176395.db2.gz	HBDXNJCFIRDKTD-PKOBYXMFSA-N	1	0	356.426	1.327	20	30		FDEDRO
CN1CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C[C@H]1CO	ZINC000913543858	862346534	/nfs/dbraw/zinc/34/65/34/862346534.db2.gz	RBOQYTVYALOPDO-INIZCTEOSA-N	1	0	360.433	1.049	20	30		FDEDRO
COc1ncc(NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)cc1C#N	ZINC000906146638	852646509	/nfs/dbraw/zinc/64/65/09/852646509.db2.gz	BTMZMWFJBANVRB-CVEARBPZSA-N	1	0	354.414	1.369	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1	ZINC001112282122	862418175	/nfs/dbraw/zinc/41/81/75/862418175.db2.gz	KJLXRIMHRLMWET-BQFCYCMXSA-N	1	0	354.516	1.606	20	30		FDEDRO
C#Cc1ccc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1	ZINC000907052534	853755836	/nfs/dbraw/zinc/75/58/36/853755836.db2.gz	HLOOCJQSINDFKO-RTBURBONSA-N	1	0	362.495	1.714	20	30		FDEDRO
C#Cc1ccc(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1	ZINC000907052532	853756025	/nfs/dbraw/zinc/75/60/25/853756025.db2.gz	HLOOCJQSINDFKO-OALUTQOASA-N	1	0	362.495	1.714	20	30		FDEDRO
CN1CC[N@H+](C)CC(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1	ZINC000907301872	854045415	/nfs/dbraw/zinc/04/54/15/854045415.db2.gz	HUUPPBGFSITAOM-UHFFFAOYSA-N	1	0	372.860	1.829	20	30		FDEDRO
C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)NC(N)=O)C1	ZINC001102905386	854165095	/nfs/dbraw/zinc/16/50/95/854165095.db2.gz	ZIOHXKQBJLYISG-ADEWGFFLSA-N	1	0	361.284	1.026	20	30		FDEDRO
O=C(NO)c1ccc(CNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1	ZINC000907813276	854681214	/nfs/dbraw/zinc/68/12/14/854681214.db2.gz	WHSWPTJSKBEYSI-GOSISDBHSA-N	1	0	353.422	1.944	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1ccc(C#N)cc1)CC2	ZINC000991120527	855142299	/nfs/dbraw/zinc/14/22/99/855142299.db2.gz	RAEUDGGKMNARGY-LDBRAYGESA-N	1	0	369.465	1.975	20	30		FDEDRO
CC(C)[NH+]1CCN(CCC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1	ZINC000908348192	855326482	/nfs/dbraw/zinc/32/64/82/855326482.db2.gz	VFPOTSQFNDNGBD-GOSISDBHSA-N	1	0	371.485	1.349	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1	ZINC000669250665	862677053	/nfs/dbraw/zinc/67/70/53/862677053.db2.gz	PDTOQQJOZLEFKT-IAGOWNOFSA-N	1	0	351.491	1.418	20	30		FDEDRO
CN(C)c1ccc([C@H](CNS(=O)(=O)CC(C)(C)C#N)[NH+](C)C)cc1	ZINC000908459211	855443712	/nfs/dbraw/zinc/44/37/12/855443712.db2.gz	BTSHNHYGPYCZNN-INIZCTEOSA-N	1	0	352.504	1.824	20	30		FDEDRO
C=C[C@@](C)(O)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1	ZINC000668695021	855520850	/nfs/dbraw/zinc/52/08/50/855520850.db2.gz	DNRUNOZDNSJACN-LJQANCHMSA-N	1	0	351.491	1.154	20	30		FDEDRO
C#CCCOc1ccc(C(=O)NCC(=O)NCC[NH+]2CCCCC2)cc1	ZINC000909314365	856432404	/nfs/dbraw/zinc/43/24/04/856432404.db2.gz	DWAGXQQMWCOHMK-UHFFFAOYSA-N	1	0	357.454	1.421	20	30		FDEDRO
C#CCCCc1nnc(N2CC[NH+](CC3CC3)CC2)n1C[C@H]1CCCO1	ZINC000909766480	856514206	/nfs/dbraw/zinc/51/42/06/856514206.db2.gz	DDQDPGFSNDKPBB-GOSISDBHSA-N	1	0	357.502	1.945	20	30		FDEDRO
C#CCCCc1nnc(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)n1C[C@@H]1CCCO1	ZINC000909770135	856518547	/nfs/dbraw/zinc/51/85/47/856518547.db2.gz	GRWPEUJORATUKA-FGTMMUONSA-N	1	0	357.502	1.943	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](CCCOC)CC2)C1	ZINC000668789575	856602204	/nfs/dbraw/zinc/60/22/04/856602204.db2.gz	ZJTNLBVZQVHCKC-MRXNPFEDSA-N	1	0	351.491	1.418	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1	ZINC000487797118	856758228	/nfs/dbraw/zinc/75/82/28/856758228.db2.gz	JADMEXGGAHGSIC-HNNXBMFYSA-N	1	0	360.458	1.600	20	30		FDEDRO
COCC[N@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)[C@H]1CCC[C@@H]1C	ZINC000488010498	856979749	/nfs/dbraw/zinc/97/97/49/856979749.db2.gz	PUYFGSQGTHKBFZ-GBESFXJTSA-N	1	0	364.534	1.816	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC([C@H]3CCCCO3)CC2)CC1	ZINC000668835746	857452742	/nfs/dbraw/zinc/45/27/42/857452742.db2.gz	IXNUUMWCGZHDSG-GOSISDBHSA-N	1	0	363.502	1.561	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCCC12CC[NH+](C)CC2	ZINC000910662365	857475489	/nfs/dbraw/zinc/47/54/89/857475489.db2.gz	PAHMVBVOPIYIEB-UHFFFAOYSA-N	1	0	360.483	1.665	20	30		FDEDRO
C=C(C)Cn1c(COCC)nnc1N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000669317114	862918108	/nfs/dbraw/zinc/91/81/08/862918108.db2.gz	UFUFAUKYSLKTDA-INIZCTEOSA-N	1	0	351.495	1.938	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1	ZINC000910698843	857539983	/nfs/dbraw/zinc/53/99/83/857539983.db2.gz	DSMQEJMNAWSUIM-MRXNPFEDSA-N	1	0	374.510	1.768	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2CCO)CC1	ZINC000668839622	857626851	/nfs/dbraw/zinc/62/68/51/857626851.db2.gz	ACQPVBIRCVSWFX-WBVHZDCISA-N	1	0	351.491	1.153	20	30		FDEDRO
CC[C@H]1CCCN(C(=O)C(=O)N(c2ccc(C#N)cn2)[C@@H]2CCC[NH2+]C2)C1	ZINC000910858629	857787948	/nfs/dbraw/zinc/78/79/48/857787948.db2.gz	QFEACWZCAADKRE-DOTOQJQBSA-N	1	0	369.469	1.687	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CC[C@H](c2ccc(C)cc2)C1)C1CC[NH+](C)CC1	ZINC000910882541	857831924	/nfs/dbraw/zinc/83/19/24/857831924.db2.gz	GUDRCCWGRURELV-IBGZPJMESA-N	1	0	367.493	1.867	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CC[C@@H](c2nc(C)cs2)C1)C1CC[NH+](C)CC1	ZINC000910887010	857841568	/nfs/dbraw/zinc/84/15/68/857841568.db2.gz	PCHJVYKBCBFCBQ-OAHLLOKOSA-N	1	0	374.510	1.323	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CCS[C@H](C(C)C)C1)C1CC[NH+](C)CC1	ZINC000910888357	857843876	/nfs/dbraw/zinc/84/38/76/857843876.db2.gz	ZNZFJDSLJIMFJP-INIZCTEOSA-N	1	0	351.516	1.142	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)N2CCCC[C@H]2C2(C[NH3+])CCC2)c1	ZINC000911054089	858049100	/nfs/dbraw/zinc/04/91/00/858049100.db2.gz	DDJXCTSKECNKEY-KRWDZBQOSA-N	1	0	354.454	1.685	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1	ZINC000911047916	858085410	/nfs/dbraw/zinc/08/54/10/858085410.db2.gz	JQBZIEAZNJDEQU-QGZVFWFLSA-N	1	0	359.470	1.256	20	30		FDEDRO
CCCCCCCCNC(=O)C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1	ZINC000911265402	858416893	/nfs/dbraw/zinc/41/68/93/858416893.db2.gz	BYMTWAVEMVWHQP-OAHLLOKOSA-N	1	0	367.490	1.265	20	30		FDEDRO
C=C(C)Cn1c(-c2cc[nH]n2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C	ZINC000669341187	863032659	/nfs/dbraw/zinc/03/26/59/863032659.db2.gz	PXPHBFKCSIHQLI-HNNXBMFYSA-N	1	0	371.489	1.934	20	30		FDEDRO
C=C(C)Cn1c(-c2cc[nH]n2)nnc1N1CC[NH+](C(C)(C)COC)CC1	ZINC000669341912	863040605	/nfs/dbraw/zinc/04/06/05/863040605.db2.gz	BABLYBNAUPRPFD-UHFFFAOYSA-N	1	0	359.478	1.791	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N2CCCC[C@@H]2C2(C[NH3+])CCC2)c1	ZINC000911403715	858592427	/nfs/dbraw/zinc/59/24/27/858592427.db2.gz	RUXFEXQVOJEKCR-QGZVFWFLSA-N	1	0	372.444	1.824	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)cc1C#N	ZINC000911433094	858614491	/nfs/dbraw/zinc/61/44/91/858614491.db2.gz	WEKFYBXVNILEDZ-IEBWSBKVSA-N	1	0	368.481	1.864	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)[C@@H]3[NH2+]CC[C@H]4CCCC[C@@H]43)CC2)c1	ZINC000911637989	858843228	/nfs/dbraw/zinc/84/32/28/858843228.db2.gz	ZLHKGFLYTJTGGJ-ZIFCJYIRSA-N	1	0	353.470	1.770	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000911701412	858932522	/nfs/dbraw/zinc/93/25/22/858932522.db2.gz	AVUBGYJDQMDJCS-SFHVURJKSA-N	1	0	368.481	1.388	20	30		FDEDRO
C[NH+]1CCC(N(CCO)C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000911943026	859139979	/nfs/dbraw/zinc/13/99/79/859139979.db2.gz	SVZWVNKHWSPZKJ-INIZCTEOSA-N	1	0	374.460	1.439	20	30		FDEDRO
CSCCC[NH+]=C(NCCN1CCN(C(C)=O)CC1)NC(C)(C)C	ZINC000912506821	859831713	/nfs/dbraw/zinc/83/17/13/859831713.db2.gz	DATIEZQSQAJBRK-UHFFFAOYSA-N	1	0	357.568	1.237	20	30		FDEDRO
CC(C)C[NH2+]C1(CO)CCN(C(=O)c2ncc(C#N)cc2Cl)CC1	ZINC000912589807	859918384	/nfs/dbraw/zinc/91/83/84/859918384.db2.gz	HCTQBIXVUJUOPB-UHFFFAOYSA-N	1	0	350.850	1.819	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)Nc1ccc(C(=O)N=[S@](C)(=O)N(C)C)cc1	ZINC000912595569	859928412	/nfs/dbraw/zinc/92/84/12/859928412.db2.gz	SJSRSHPUXRTCBD-VWLOTQADSA-N	1	0	366.487	1.848	20	30		FDEDRO
CON=C(C(=O)N1[C@@H](CC[NH+](C)C)CCC[C@@H]1C)c1csc(N)n1	ZINC000912648827	859986735	/nfs/dbraw/zinc/98/67/35/859986735.db2.gz	KPGBDTLUTIDJIO-NWDGAFQWSA-N	1	0	353.492	1.797	20	30		FDEDRO
CC[C@@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)C(C)(C)C	ZINC001106869176	881487952	/nfs/dbraw/zinc/48/79/52/881487952.db2.gz	UYCCEEOUKMIXGV-OAGGEKHMSA-N	1	0	350.507	1.773	20	30		FDEDRO
C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H]1CCC[N@H+]1CCOC	ZINC000496573531	881527961	/nfs/dbraw/zinc/52/79/61/881527961.db2.gz	OQBDDBVTGYBSMW-MRXNPFEDSA-N	1	0	365.474	1.970	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)N2CCCC2=O)C[C@H]1C	ZINC001106870755	881543085	/nfs/dbraw/zinc/54/30/85/881543085.db2.gz	BTABQPSLOAJWTE-IXDOHACOSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=CCn1c(-c2cnn(C)c2)nnc1N1CCC(C[NH+]2CCOCC2)CC1	ZINC000282458012	881587340	/nfs/dbraw/zinc/58/73/40/881587340.db2.gz	AQNIZRNUPVPPSW-UHFFFAOYSA-N	1	0	371.489	1.413	20	30		FDEDRO
C#CC[C@@H]1CCN(C(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2CCCCC2)C1	ZINC000912985249	861153557	/nfs/dbraw/zinc/15/35/57/861153557.db2.gz	CKXBMNRWRSLGAU-QAPCUYQASA-N	1	0	356.470	1.889	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C[C@H]1C	ZINC001106872534	881622632	/nfs/dbraw/zinc/62/26/32/881622632.db2.gz	WYOFLKFWQRMNDL-VXGBXAGGSA-N	1	0	350.419	1.160	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC2CCCC2)C[C@H]1C	ZINC001105779207	863110732	/nfs/dbraw/zinc/11/07/32/863110732.db2.gz	SKIJCYMKRDZMEK-GDBMZVCRSA-N	1	0	364.490	1.263	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C)on2)C[C@H]1C	ZINC001105797899	863229660	/nfs/dbraw/zinc/22/96/60/863229660.db2.gz	LFJMFEUXSSMBBN-GDBMZVCRSA-N	1	0	362.474	1.705	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCCO3)C[C@H]2C)c1	ZINC001105797512	863234316	/nfs/dbraw/zinc/23/43/16/863234316.db2.gz	FXMNYHJUIBHCKE-SZVBFZGTSA-N	1	0	369.465	1.470	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2O)C[C@H]1C	ZINC001105837506	863433345	/nfs/dbraw/zinc/43/33/45/863433345.db2.gz	JVWSECYXICDCGU-IAGOWNOFSA-N	1	0	371.481	1.891	20	30		FDEDRO
CCCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)CSCC#N)C[C@H]2C)s1	ZINC001105846133	863474736	/nfs/dbraw/zinc/47/47/36/863474736.db2.gz	JGWPGOIKJDYSOH-CHWSQXEVSA-N	1	0	367.544	1.931	20	30		FDEDRO
CCC(CC)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C	ZINC001105849825	863484509	/nfs/dbraw/zinc/48/45/09/863484509.db2.gz	DDOBITHSDGRZFP-ZIAGYGMSSA-N	1	0	354.520	1.232	20	30		FDEDRO
Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)CSCC#N)C[C@H]2C)n1C1CC1	ZINC001105848995	863495568	/nfs/dbraw/zinc/49/55/68/863495568.db2.gz	AOESJLDQCDCAED-TZMCWYRMSA-N	1	0	362.503	1.362	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CCOC(C)C)C[C@H]1C	ZINC001105854239	863508922	/nfs/dbraw/zinc/50/89/22/863508922.db2.gz	OIYDQWSDPFCHAQ-QZTJIDSGSA-N	1	0	365.518	1.686	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCOC)C[C@H]1C	ZINC001105870178	863564080	/nfs/dbraw/zinc/56/40/80/863564080.db2.gz	VJPQLQYQNWJRST-IAGOWNOFSA-N	1	0	353.507	1.522	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(C)(C)C)[C@H](C)C1	ZINC001105909600	863912822	/nfs/dbraw/zinc/91/28/22/863912822.db2.gz	IWOXIJVMMZTUCD-IXDOHACOSA-N	1	0	367.534	1.814	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)cc1	ZINC000158092774	864053066	/nfs/dbraw/zinc/05/30/66/864053066.db2.gz	WAYZPWQRMMNKQY-UHFFFAOYSA-N	1	0	357.454	1.874	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)c2ccc(F)cc2)[C@H](C)C1	ZINC001105938016	864132071	/nfs/dbraw/zinc/13/20/71/864132071.db2.gz	LBMLDIVWUSDVMO-KYJSFNMBSA-N	1	0	350.434	1.746	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCc3ccccc32)[C@H](C)C1	ZINC001105938590	864133552	/nfs/dbraw/zinc/13/35/52/864133552.db2.gz	SSXXSDSIJUZPMI-SJLPKXTDSA-N	1	0	371.481	1.462	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CCOc2ccccc2OC)[C@H](C)C1	ZINC001105938755	864133618	/nfs/dbraw/zinc/13/36/18/864133618.db2.gz	YHZZHNPKZPIUOF-IAGOWNOFSA-N	1	0	362.470	1.961	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)N(C(C)C)C(C)C)[C@H](C)C1	ZINC001105938615	864133800	/nfs/dbraw/zinc/13/38/00/864133800.db2.gz	ULCOXTQOSROVCZ-KZNAEPCWSA-N	1	0	367.534	1.907	20	30		FDEDRO
CCC[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CCC#N)[C@H](C)C1	ZINC001105959283	864240432	/nfs/dbraw/zinc/24/04/32/864240432.db2.gz	QCQJZLRIHQGPAB-BRWVUGGUSA-N	1	0	350.507	1.869	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]Cc2nc(CC)no2)[C@H](C)C1	ZINC001105982395	864333873	/nfs/dbraw/zinc/33/38/73/864333873.db2.gz	PRIGYKCGSHCTIF-HUUCEWRRSA-N	1	0	350.463	1.799	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCC2)[C@H](C)C1	ZINC001105984280	864340114	/nfs/dbraw/zinc/34/01/14/864340114.db2.gz	CYVHDWFASAHNGC-IAGOWNOFSA-N	1	0	351.491	1.276	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]C[C@@H](O)c1ccccc1	ZINC001105985808	864354081	/nfs/dbraw/zinc/35/40/81/864354081.db2.gz	UKMIZVAMVFVJPD-LSBZLQRGSA-N	1	0	352.438	1.918	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3cccnc3C)[C@H]2C)C1=O	ZINC001088857326	864735339	/nfs/dbraw/zinc/73/53/39/864735339.db2.gz	LBXXEGKEVGRNBJ-NJAFHUGGSA-N	1	0	356.470	1.298	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1CN(Cc2cccc3nsnc32)C[C@H]1OC	ZINC001212187139	864890372	/nfs/dbraw/zinc/89/03/72/864890372.db2.gz	KNMFLPNSSYRKGK-HZPDHXFCSA-N	1	0	358.467	1.810	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)cc2C)[C@H](C)C1	ZINC001106034553	864912642	/nfs/dbraw/zinc/91/26/42/864912642.db2.gz	GYCPIVWEDGHLIN-NVXWUHKLSA-N	1	0	359.445	1.458	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C)cc2C)[C@H](C)C1	ZINC001106034658	864915109	/nfs/dbraw/zinc/91/51/09/864915109.db2.gz	JYAMOIHNQBZDRO-IEBWSBKVSA-N	1	0	355.482	1.627	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2ncccc2O)C[C@H]1C	ZINC001106041340	864957111	/nfs/dbraw/zinc/95/71/11/864957111.db2.gz	SRSHNDBJEBKSIK-ZYHUDNBSSA-N	1	0	354.248	1.994	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccoc2)C[C@H]1C	ZINC001106043634	864962007	/nfs/dbraw/zinc/96/20/07/864962007.db2.gz	STDORIQIBXWCFQ-NVXWUHKLSA-N	1	0	360.458	1.268	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NCCCOCC)[C@H](C)C1	ZINC001106056893	865058738	/nfs/dbraw/zinc/05/87/38/865058738.db2.gz	KDNXZURAJRKAJE-FGTMMUONSA-N	1	0	365.518	1.405	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2nc(C)cs2)[C@H](C)C1	ZINC001106065048	865105185	/nfs/dbraw/zinc/10/51/85/865105185.db2.gz	NQRYSAYCVGYXDT-UKRRQHHQSA-N	1	0	362.499	1.878	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+]2CCCC2)cc1	ZINC001004879552	881837996	/nfs/dbraw/zinc/83/79/96/881837996.db2.gz	MLMBFNRSPUPSTF-QRVBRYPASA-N	1	0	351.450	1.625	20	30		FDEDRO
COCC1(C#N)CCN(C(=O)NC2CC[NH+](CCOC(C)C)CC2)CC1	ZINC000498591114	865135223	/nfs/dbraw/zinc/13/52/23/865135223.db2.gz	HJUAFDZJWUHTNR-UHFFFAOYSA-N	1	0	366.506	1.838	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]Cc2ccc3c(c2)nnn3C)[C@H](C)C1	ZINC001106068274	865144935	/nfs/dbraw/zinc/14/49/35/865144935.db2.gz	FCYPYGXVKVNBFE-NVXWUHKLSA-N	1	0	353.470	1.956	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+](CCc3cnn(C)c3)[C@@H]2C)cc1	ZINC001088906532	865368079	/nfs/dbraw/zinc/36/80/79/865368079.db2.gz	ZRBFFDMJMHFYFL-UZLBHIALSA-N	1	0	366.465	1.867	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106074901	865396316	/nfs/dbraw/zinc/39/63/16/865396316.db2.gz	ZNTBARKBXLCFES-GDBMZVCRSA-N	1	0	355.417	1.304	20	30		FDEDRO
C[C@H](CCC(C)(C)C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106878109	881867627	/nfs/dbraw/zinc/86/76/27/881867627.db2.gz	FTCXXGGUABTCNH-BZUAXINKSA-N	1	0	350.507	1.773	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cccn(C)c2=O)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088988886	865939718	/nfs/dbraw/zinc/93/97/18/865939718.db2.gz	VWKKXDIPIAGGMP-KDOFPFPSSA-N	1	0	350.422	1.650	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C[C@H](O)Cc3ccccc3)[C@@H]2C)nc1	ZINC001088990815	865950866	/nfs/dbraw/zinc/95/08/66/865950866.db2.gz	RGBORDJQLULXRZ-AHRSYUTCSA-N	1	0	363.461	1.859	20	30		FDEDRO
CC[NH+](CC)[C@@H]1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C1	ZINC000173463926	865973825	/nfs/dbraw/zinc/97/38/25/865973825.db2.gz	SZQMWUJXVHYUEW-GOSISDBHSA-N	1	0	369.469	1.696	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(CC(F)(F)C(F)F)[C@@H]2C)CC1	ZINC001089060119	866390829	/nfs/dbraw/zinc/39/08/29/866390829.db2.gz	UMSRITCVQNWQKY-OCCSQVGLSA-N	1	0	363.399	1.811	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1	ZINC000991988671	866898474	/nfs/dbraw/zinc/89/84/74/866898474.db2.gz	UQHIKHNAFKVEPT-KSZLIROESA-N	1	0	363.502	1.558	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)C2CC[NH+](C(C)C)CC2)C1	ZINC000992028717	867252674	/nfs/dbraw/zinc/25/26/74/867252674.db2.gz	DGINDZVCSYWSGT-ROUUACIJSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=CCC[C@@H](CO)NC(=O)NCc1ccccc1CN1CC[NH+](CC)CC1	ZINC000457660583	867607042	/nfs/dbraw/zinc/60/70/42/867607042.db2.gz	GALANMMXOOSALL-FQEVSTJZSA-N	1	0	374.529	1.950	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccncc2C)C[C@H]1C	ZINC001106090044	867927846	/nfs/dbraw/zinc/92/78/46/867927846.db2.gz	ZIJQAAFOCZYFAV-IAGOWNOFSA-N	1	0	371.485	1.450	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@H](O)C3CCCCC3)C[C@H]2O)cc1	ZINC001077493614	867960520	/nfs/dbraw/zinc/96/05/20/867960520.db2.gz	CUFIJYMARBJZHZ-HSALFYBXSA-N	1	0	356.466	1.384	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1CC(N)=NOCC(=O)NC[C@@H]1Cc2ccccc2O1	ZINC000151530725	867982828	/nfs/dbraw/zinc/98/28/28/867982828.db2.gz	JEAHJLVAKAFALT-HOCLYGCPSA-N	1	0	360.458	1.270	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]C[C@H](O)Cc1ccc(F)cc1	ZINC001106101183	868100350	/nfs/dbraw/zinc/10/03/50/868100350.db2.gz	LXJGVAUSIQLSNK-XFQXTVEOSA-N	1	0	358.457	1.827	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1[N@H+](CC(=O)N(C)C1CC1)CC2	ZINC000992179773	868183415	/nfs/dbraw/zinc/18/34/15/868183415.db2.gz	NQQXSVBKDLSGDL-YZLZLFLDSA-N	1	0	361.486	1.312	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(NC(=O)[C@H]4C[C@H]4C(N)=O)CCC[C@H]23)cc1	ZINC000992203558	868322106	/nfs/dbraw/zinc/32/21/06/868322106.db2.gz	ARBRNLNMTLPFRR-YLAKUSLOSA-N	1	0	352.438	1.293	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CC[N@H+](CCc3nnnn3-c3ccccc3)C2)nc1	ZINC000428805006	868342414	/nfs/dbraw/zinc/34/24/14/868342414.db2.gz	IHWNHEOSEGWRQM-QGZVFWFLSA-N	1	0	361.409	1.625	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC2(COC)CC2)C[C@H]1C	ZINC001106110947	868375899	/nfs/dbraw/zinc/37/58/99/868375899.db2.gz	BNMUXFMZQRIYLA-BZUAXINKSA-N	1	0	351.491	1.178	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ncc(Cl)n2C)[C@H](C)C1	ZINC001106110679	868381081	/nfs/dbraw/zinc/38/10/81/868381081.db2.gz	CEQBMFYCJJXZGG-MGPQQGTHSA-N	1	0	352.866	1.296	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1cnc(C)nc1)CC2	ZINC000992239573	868548485	/nfs/dbraw/zinc/54/84/85/868548485.db2.gz	JTYXGOWBCPCLKQ-DOADOZAASA-N	1	0	356.470	1.989	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CNC(=O)N2CCCC2)C[C@H]1C	ZINC001106117329	868594125	/nfs/dbraw/zinc/59/41/25/868594125.db2.gz	MERUYURTWSMKDK-BRWVUGGUSA-N	1	0	350.507	1.831	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)cc1	ZINC000994334478	882220197	/nfs/dbraw/zinc/22/01/97/882220197.db2.gz	DMYHLFYVBKVCKQ-VQIMIIECSA-N	1	0	365.477	1.588	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)OCCCCCC)C[C@H]1C	ZINC001106121121	868773772	/nfs/dbraw/zinc/77/37/72/868773772.db2.gz	OUIFZDUGVLIRRA-KZNAEPCWSA-N	1	0	365.518	1.405	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCN(CC=C)C2=O)C1	ZINC001112330715	868979975	/nfs/dbraw/zinc/97/99/75/868979975.db2.gz	XAGQSHKZHPAXCG-UEXGIBASSA-N	1	0	357.498	1.795	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)NC(N)=O)C[C@H]1C	ZINC001106126686	868996768	/nfs/dbraw/zinc/99/67/68/868996768.db2.gz	SQBIFWQFHMTRGW-ADEWGFFLSA-N	1	0	361.284	1.026	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000992407485	869244223	/nfs/dbraw/zinc/24/42/23/869244223.db2.gz	OWFDFISBRATBMU-FJIDUMEYSA-N	1	0	363.502	1.415	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c(C)cnc3c2)C[C@H]1C	ZINC001106131216	869366144	/nfs/dbraw/zinc/36/61/44/869366144.db2.gz	QVPUZFKGYZVKKO-CRAIPNDOSA-N	1	0	354.454	1.590	20	30		FDEDRO
C[NH+](C)CCn1nccc1C(=O)N1CCN(c2ccc(F)cc2C#N)CC1	ZINC000913760738	869584489	/nfs/dbraw/zinc/58/44/89/869584489.db2.gz	PDNCSJJYCKQDIX-UHFFFAOYSA-N	1	0	370.432	1.418	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C[C@H]1C	ZINC001106132935	869958422	/nfs/dbraw/zinc/95/84/22/869958422.db2.gz	FYHJVURUILDKAA-BZUAXINKSA-N	1	0	359.474	1.413	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnc([C@H](C)OC)s2)C[C@H]1C	ZINC001106133213	869989087	/nfs/dbraw/zinc/98/90/87/869989087.db2.gz	GNARASREILWAAS-QLFBSQMISA-N	1	0	365.499	1.798	20	30		FDEDRO
N#C[C@H]1CCCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1	ZINC000916759515	882380880	/nfs/dbraw/zinc/38/08/80/882380880.db2.gz	PPEQOWITZOJKDO-QGZVFWFLSA-N	1	0	371.489	1.324	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)cn1	ZINC000994383242	882443782	/nfs/dbraw/zinc/44/37/82/882443782.db2.gz	IQCHJHSVMCCTRM-CRAIPNDOSA-N	1	0	368.481	1.229	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@]2(C)C=CCC2)C3)CC1	ZINC001005143230	882469172	/nfs/dbraw/zinc/46/91/72/882469172.db2.gz	JQFVWKKQJPHBCE-NXWNEQKCSA-N	1	0	369.509	1.936	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnc3n2[C@H](C)CCC3)C[C@H]1C	ZINC001106153738	871466537	/nfs/dbraw/zinc/46/65/37/871466537.db2.gz	QUUKZPBJQZYDMS-BRWVUGGUSA-N	1	0	358.486	1.728	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(CC)ccn2)C[C@H]1C	ZINC001106166935	871523113	/nfs/dbraw/zinc/52/31/13/871523113.db2.gz	FCAMQTJNKDTMKV-BFYDXBDKSA-N	1	0	356.470	1.080	20	30		FDEDRO
C#C[C@H](NC(=O)N[C@@H]1C[C@@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O)[C@H]1CCCO1	ZINC000922048223	871571340	/nfs/dbraw/zinc/57/13/40/871571340.db2.gz	VRKPOOPVQXANKD-MPQWASHOSA-N	1	0	363.502	1.336	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)Cc2csc(C#N)c2)C1	ZINC000914214429	871840849	/nfs/dbraw/zinc/84/08/49/871840849.db2.gz	HPAPJYKBSNTEPV-HNNXBMFYSA-N	1	0	371.528	1.882	20	30		FDEDRO
C#CCN(C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1	ZINC000914299927	872258577	/nfs/dbraw/zinc/25/85/77/872258577.db2.gz	DYLSOQPUJMONSV-UHFFFAOYSA-N	1	0	360.414	1.842	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@H](OC)C1	ZINC001212489099	872262106	/nfs/dbraw/zinc/26/21/06/872262106.db2.gz	ITEGLBGFKUESKP-HZPDHXFCSA-N	1	0	352.866	1.476	20	30		FDEDRO
CC[NH+]1CCN(CCNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC1	ZINC000493821972	872410232	/nfs/dbraw/zinc/41/02/32/872410232.db2.gz	LEYYMLXKLRBFCW-IBGZPJMESA-N	1	0	358.486	1.715	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccn(-c3ccc(OC)cc3)n2)CC1	ZINC000914346899	872470822	/nfs/dbraw/zinc/47/08/22/872470822.db2.gz	ZJOFZJSDSOABTL-UHFFFAOYSA-N	1	0	367.453	1.778	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1c1c(C#N)c(=O)n(C)c(=O)n1C	ZINC000499652371	872505540	/nfs/dbraw/zinc/50/55/40/872505540.db2.gz	HTADVJLEYDVCNQ-HUUCEWRRSA-N	1	0	367.453	1.055	20	30		FDEDRO
C#CCN(C(=O)NCC(=O)N1CCCc2ccccc21)C1CC[NH+](C)CC1	ZINC000914364259	872526529	/nfs/dbraw/zinc/52/65/29/872526529.db2.gz	SWQDOVUQJVGAGL-UHFFFAOYSA-N	1	0	368.481	1.705	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCC(=O)N2CCCc3ccccc32)CC1	ZINC000914364161	872526710	/nfs/dbraw/zinc/52/67/10/872526710.db2.gz	QIWWADRRXIRUTL-UHFFFAOYSA-N	1	0	354.454	1.363	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@]3(C)C2)C1	ZINC000992816565	872548161	/nfs/dbraw/zinc/54/81/61/872548161.db2.gz	QEEPYIROZRQKCR-KKVAFCGZSA-N	1	0	369.469	1.149	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(C(N)=O)c2)C1	ZINC001033498030	882629733	/nfs/dbraw/zinc/62/97/33/882629733.db2.gz	RQYLUJJVOHFUGH-FHWLQOOXSA-N	1	0	371.481	1.799	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(F)(F)F)[C@H](C)C1	ZINC001106181866	873022520	/nfs/dbraw/zinc/02/25/20/873022520.db2.gz	ZAEQGUXFDFKXRP-CHWSQXEVSA-N	1	0	363.424	1.951	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2[nH]nc3ccc(C)cc32)[C@H](OC)C1	ZINC001212510051	873097987	/nfs/dbraw/zinc/09/79/87/873097987.db2.gz	SDGBZBOXWVLCTM-IAGOWNOFSA-N	1	0	358.442	1.503	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccnn2CCC)C[C@H]1C	ZINC001106187020	873186642	/nfs/dbraw/zinc/18/66/42/873186642.db2.gz	OTWJSWRQAYVUGK-OWCLPIDISA-N	1	0	361.490	1.282	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(C)no2)CC1	ZINC001003362633	873216043	/nfs/dbraw/zinc/21/60/43/873216043.db2.gz	CLWFTWYFDYHHAF-ZACQAIPSSA-N	1	0	370.453	1.190	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1C[NH+](C)C)C2	ZINC001003365401	873244133	/nfs/dbraw/zinc/24/41/33/873244133.db2.gz	ANILJPMVBQGHRU-NZPGVSJUSA-N	1	0	354.454	1.770	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COC2CCOCC2)[C@H](C)C1	ZINC001106190366	873247429	/nfs/dbraw/zinc/24/74/29/873247429.db2.gz	GVYSSDXQLBLBFD-KZNAEPCWSA-N	1	0	368.518	1.583	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@]3(C)C2)CC1	ZINC000992942225	873322525	/nfs/dbraw/zinc/32/25/25/873322525.db2.gz	NEJNWVXFFRZZIY-UEXGIBASSA-N	1	0	359.514	1.991	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCC2)[C@H](C)C1)OCC	ZINC001106197063	873425079	/nfs/dbraw/zinc/42/50/79/873425079.db2.gz	DESWCQYSUCQFEZ-KURKYZTESA-N	1	0	365.518	1.664	20	30		FDEDRO
C#CCN(C(=O)NC1CCN(c2cccnn2)CC1)C1CC[NH+](C)CC1	ZINC000922193680	873646272	/nfs/dbraw/zinc/64/62/72/873646272.db2.gz	MUUCDILMBFNISK-UHFFFAOYSA-N	1	0	356.474	1.184	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1C	ZINC001106204374	873678700	/nfs/dbraw/zinc/67/87/00/873678700.db2.gz	UMEVUBPDRADDIW-HZPDHXFCSA-N	1	0	359.536	1.356	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)C(C)(C)C)C[C@@]3(C)C2)CC1	ZINC000993018110	873695334	/nfs/dbraw/zinc/69/53/34/873695334.db2.gz	FRXAGFUNDWWEQH-LAUBAEHRSA-N	1	0	359.514	1.685	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CCNC(=O)COC)C[C@H]1C	ZINC001106207615	873722052	/nfs/dbraw/zinc/72/20/52/873722052.db2.gz	LOUAXZJVFOAEQP-IAGOWNOFSA-N	1	0	355.523	1.794	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(COC)CCCC2)C[C@H]1C	ZINC001106216265	873898188	/nfs/dbraw/zinc/89/81/88/873898188.db2.gz	IAUFOIFEZONCSA-BRWVUGGUSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc3nonc3c2)CC1	ZINC001003651235	873923423	/nfs/dbraw/zinc/92/34/23/873923423.db2.gz	BBOGNJXHCMWONB-QAPCUYQASA-N	1	0	356.426	1.895	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[NH+](CCCCCNC(=O)NCCC#N)CC1	ZINC000922229882	873969473	/nfs/dbraw/zinc/96/94/73/873969473.db2.gz	WPCNURZHOZWGOQ-UHFFFAOYSA-N	1	0	367.494	1.922	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3ccn(C)c3)n[nH]2)C[C@H]1C	ZINC001106230662	874025206	/nfs/dbraw/zinc/02/52/06/874025206.db2.gz	YLRDYNGCNXZPMI-NVXWUHKLSA-N	1	0	369.469	1.363	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C2	ZINC001112542178	874170523	/nfs/dbraw/zinc/17/05/23/874170523.db2.gz	KDDUMFZYYXSWJI-YJBOKZPZSA-N	1	0	371.547	1.499	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2(Cc3ccccc3)CC2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106264048	874245910	/nfs/dbraw/zinc/24/59/10/874245910.db2.gz	WLXAVFGEDKNGFF-SJLPKXTDSA-N	1	0	368.481	1.333	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1C	ZINC001106286993	874476136	/nfs/dbraw/zinc/47/61/36/874476136.db2.gz	XBHIJFSKBNTQEG-BXKDBHETSA-N	1	0	355.236	1.389	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C)C1	ZINC000993113045	874488454	/nfs/dbraw/zinc/48/84/54/874488454.db2.gz	UDCWQHMXSMEAQL-KNKQGSTJSA-N	1	0	371.525	1.827	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cccc(C)n2)[C@@H](n2ccnn2)C1	ZINC001128710933	882835690	/nfs/dbraw/zinc/83/56/90/882835690.db2.gz	SDAMBTRJQLMRMF-NXHRZFHOSA-N	1	0	354.458	1.992	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C)c(F)cc2F)C[C@H]1C	ZINC001106302849	874635599	/nfs/dbraw/zinc/63/55/99/874635599.db2.gz	SCLHQLDVLHJNQY-ZIAGYGMSSA-N	1	0	363.408	1.320	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cn3c(n2)C[C@H](C)CC3)C[C@H]1C	ZINC001106314091	874753390	/nfs/dbraw/zinc/75/33/90/874753390.db2.gz	GDTUHWPFJVKIRW-BRWVUGGUSA-N	1	0	360.502	1.966	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-c3cn[nH]c3)cn2)C[C@H]1C	ZINC001106336949	874826205	/nfs/dbraw/zinc/82/62/05/874826205.db2.gz	MXVWEBHTNWNGCA-CRAIPNDOSA-N	1	0	369.469	1.972	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CCc2c(C)nc[nH]c2=O)C[C@H]1C	ZINC001106365808	874920577	/nfs/dbraw/zinc/92/05/77/874920577.db2.gz	ICLMVSNFJMQQIF-GDBMZVCRSA-N	1	0	362.474	1.310	20	30		FDEDRO
Cc1ccccc1C[N@@H+]1C[C@@H](NC(=O)CSCC#N)[C@@H](n2ccnn2)C1	ZINC001128724148	882882407	/nfs/dbraw/zinc/88/24/07/882882407.db2.gz	RVPDDLAELCGMNZ-SJORKVTESA-N	1	0	370.482	1.385	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c3ccccc32)C[C@H]1C	ZINC001106384224	875005661	/nfs/dbraw/zinc/00/56/61/875005661.db2.gz	DYTBHMJOJDWZFL-BZUAXINKSA-N	1	0	366.465	1.604	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cn(C)c3ccccc23)C[C@H]1C	ZINC001106386643	875037320	/nfs/dbraw/zinc/03/73/20/875037320.db2.gz	JDWZACWLOGDEDM-HZPDHXFCSA-N	1	0	368.481	1.778	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2ccc(C)cc2)C[C@H]1C	ZINC001106399961	875096103	/nfs/dbraw/zinc/09/61/03/875096103.db2.gz	AOEVBCHNMPQSLL-QWFCFKBJSA-N	1	0	369.509	1.750	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2c(OC)ccnc2OC)C[C@H]1C	ZINC001106413481	875164432	/nfs/dbraw/zinc/16/44/32/875164432.db2.gz	PFMUHKJGPVDWQO-HUUCEWRRSA-N	1	0	361.442	1.046	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)C2CC2)C[C@H]1C	ZINC001106425454	875235481	/nfs/dbraw/zinc/23/54/81/875235481.db2.gz	YYUPFCODAXRJIO-BSIFCXSSSA-N	1	0	367.493	1.614	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2ncc3cc(C)cnc32)C[C@H]1C	ZINC001106435596	875284752	/nfs/dbraw/zinc/28/47/52/875284752.db2.gz	PTQURZYDAMONGD-SJLPKXTDSA-N	1	0	369.469	1.074	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)NCc1ccc(F)cc1)C2	ZINC001112542519	882934650	/nfs/dbraw/zinc/93/46/50/882934650.db2.gz	CGKLFEASWGGGIB-JXFKEZNVSA-N	1	0	359.445	1.846	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cnnn3)cn2)C[C@H]1C	ZINC001106468262	875531203	/nfs/dbraw/zinc/53/12/03/875531203.db2.gz	IQNLVYLGGCXEHN-DGCLKSJQSA-N	1	0	361.837	1.108	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2cncc(C)c2)C[C@H]1C	ZINC001106482932	875597176	/nfs/dbraw/zinc/59/71/76/875597176.db2.gz	OSWNYZHMCQATPQ-SOLBZPMBSA-N	1	0	358.486	1.307	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COCCN2CCCC)C[C@H]1C	ZINC001106479560	875603715	/nfs/dbraw/zinc/60/37/15/875603715.db2.gz	HHGLWOGOMNDMNI-OIISXLGYSA-N	1	0	357.926	1.924	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C2CC2)[C@H](C)C1	ZINC001106486416	875641071	/nfs/dbraw/zinc/64/10/71/875641071.db2.gz	RWHFWWQOICBIIE-QINHECLXSA-N	1	0	365.518	1.520	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C(C)C)[C@H](C)C1	ZINC001106486535	875642692	/nfs/dbraw/zinc/64/26/92/875642692.db2.gz	WVJVCFIWLUZICV-MBOZVWFJSA-N	1	0	367.534	1.766	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C3CC3)on2)C[C@H]1C	ZINC001106492458	875695473	/nfs/dbraw/zinc/69/54/73/875695473.db2.gz	WHPYTHXCTJLGIX-VNHYZAJKSA-N	1	0	360.458	1.540	20	30		FDEDRO
C[N@@H+]1CCN(CCNS(=O)(=O)Cc2csc(C#N)c2)CC1(C)C	ZINC000915225635	875792679	/nfs/dbraw/zinc/79/26/79/875792679.db2.gz	OVLKOOXPLOEABN-UHFFFAOYSA-N	1	0	356.517	1.065	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC(C)C)[C@H](C)C2)cc1	ZINC001106512700	875801180	/nfs/dbraw/zinc/80/11/80/875801180.db2.gz	SKKFXJGHEJVUQP-VQIMIIECSA-N	1	0	355.482	1.738	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NCC)[C@H](C)C1	ZINC001106517820	875814398	/nfs/dbraw/zinc/81/43/98/875814398.db2.gz	VNBKTAUVHFNWFR-RBSFLKMASA-N	1	0	366.506	1.507	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2coc(C(F)F)c2)C[C@H]1C	ZINC001106586253	876049062	/nfs/dbraw/zinc/04/90/62/876049062.db2.gz	WTDXZNRAYFSMDP-YRGRVCCFSA-N	1	0	367.396	1.653	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)CN(C)C(C)=O)[C@@H](n2ccnn2)C1	ZINC001128732413	882993699	/nfs/dbraw/zinc/99/36/99/882993699.db2.gz	ZICKENKEHZXHEK-SJORKVTESA-N	1	0	364.494	1.068	20	30		FDEDRO
COC[C@@H](OC)C(=O)N1C[C@@H](C[NH2+]Cc2cc(C#N)ccc2F)[C@H](C)C1	ZINC001106643597	876350829	/nfs/dbraw/zinc/35/08/29/876350829.db2.gz	MAEVXPHJWUHFJS-MZMPZRCHSA-N	1	0	363.433	1.543	20	30		FDEDRO
COC[C@H](OC)C(=O)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2C#N)[C@H](C)C1	ZINC001106643926	876351921	/nfs/dbraw/zinc/35/19/21/876351921.db2.gz	OHDKAZGUYFCZGR-QBIMZIAESA-N	1	0	363.433	1.543	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]CCc3ccnn3C)[C@H](C)C2)c1	ZINC001106650248	876387138	/nfs/dbraw/zinc/38/71/38/876387138.db2.gz	FYOUWMFDOGBRJT-CRAIPNDOSA-N	1	0	351.454	1.337	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)NC(C)(C)C)[C@H](C)C2)c1	ZINC001106650279	876387230	/nfs/dbraw/zinc/38/72/30/876387230.db2.gz	HMMKRWYVSPQANF-IIDMSEBBSA-N	1	0	370.497	1.664	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)CC3CC3)[C@H](C)C2)c1	ZINC001106650782	876388918	/nfs/dbraw/zinc/38/89/18/876388918.db2.gz	CTFKNLVJRBEETI-DNVCBOLYSA-N	1	0	368.481	1.229	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N[C@@H](C)C(C)C)[C@H](C)C2)c1	ZINC001106651380	876391744	/nfs/dbraw/zinc/39/17/44/876391744.db2.gz	STODMKXLCITAPL-JTDSTZFVSA-N	1	0	370.497	1.521	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]C[C@H](O)CC(F)(F)F)[C@H](C)C2)c1	ZINC001106651611	876391855	/nfs/dbraw/zinc/39/18/55/876391855.db2.gz	UGDSVWDNOSLMHI-DAXOMENPSA-N	1	0	369.387	1.674	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@]2(C)C1	ZINC000993219675	876412850	/nfs/dbraw/zinc/41/28/50/876412850.db2.gz	CZWXVGHMNDOEBX-WWMYMODYSA-N	1	0	359.514	1.847	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3nnnn3CC2)C[C@H]1C	ZINC001106682296	876553082	/nfs/dbraw/zinc/55/30/82/876553082.db2.gz	BYEVMCGULAEOMG-KWCYVHTRSA-N	1	0	352.870	1.062	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C)c(F)c2F)C[C@H]1C	ZINC001106688962	876568628	/nfs/dbraw/zinc/56/86/28/876568628.db2.gz	ZGNKYYCCKCZGCN-ZIAGYGMSSA-N	1	0	365.424	1.873	20	30		FDEDRO
CCOc1cccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)c1	ZINC001106701922	876618643	/nfs/dbraw/zinc/61/86/43/876618643.db2.gz	MOOAPONHIKMEDH-GDBMZVCRSA-N	1	0	358.442	1.023	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(OC)c2C)C[C@H]1C	ZINC001106703758	876647722	/nfs/dbraw/zinc/64/77/22/876647722.db2.gz	WTICPKLUVWVFJO-GDBMZVCRSA-N	1	0	359.470	1.604	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)CC1	ZINC000917126123	883067506	/nfs/dbraw/zinc/06/75/06/883067506.db2.gz	NYHJUSFCDJAZJR-OAHLLOKOSA-N	1	0	374.872	1.793	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc(OC)c2C)C[C@H]1C	ZINC001106704957	876880374	/nfs/dbraw/zinc/88/03/74/876880374.db2.gz	KYCBFPSPIAEEES-DJIMGWMZSA-N	1	0	371.481	1.439	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCOCC2)[C@H](C)C1	ZINC001106708632	876917059	/nfs/dbraw/zinc/91/70/59/876917059.db2.gz	CZKDLRKEWUGKDO-HZPDHXFCSA-N	1	0	351.491	1.132	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)c2cccnc2)C[C@H]1C	ZINC001106727434	877002744	/nfs/dbraw/zinc/00/27/44/877002744.db2.gz	MEFXGYBJTCNEIZ-LZLYRXPVSA-N	1	0	358.486	1.562	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@]2(C)C1	ZINC000993320666	877201508	/nfs/dbraw/zinc/20/15/08/877201508.db2.gz	ABFVNNRPCQTLTJ-OHNRDTAOSA-N	1	0	358.442	1.421	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(Cl)cs2)C[C@H]1C	ZINC001106730850	877222813	/nfs/dbraw/zinc/22/28/13/877222813.db2.gz	SGWHERZTIIUDCH-FRRDWIJNSA-N	1	0	367.902	1.837	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)o2)[C@H](C)C1	ZINC001106733452	877270969	/nfs/dbraw/zinc/27/09/69/877270969.db2.gz	WEBOGIQLDLSSLS-DAXOMENPSA-N	1	0	363.462	1.033	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2nncs2)[C@H](C)C1	ZINC001106734229	877281431	/nfs/dbraw/zinc/28/14/31/877281431.db2.gz	SLPCXWPXNKSWHE-BPLDGKMQSA-N	1	0	365.503	1.193	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2csc(C3CC3)n2)C[C@H]1C	ZINC001106735312	877312565	/nfs/dbraw/zinc/31/25/65/877312565.db2.gz	SLOSJLXFVMIZFY-GDBMZVCRSA-N	1	0	361.511	1.897	20	30		FDEDRO
C=C(Br)CN1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](OC)C1	ZINC001212414679	912220541	/nfs/dbraw/zinc/22/05/41/912220541.db2.gz	RJGKQCNPMRWBNX-ZIAGYGMSSA-N	1	0	360.296	1.195	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C2)cc1	ZINC001106740594	877407577	/nfs/dbraw/zinc/40/75/77/877407577.db2.gz	WOEWMYHWJAIUQD-IEBWSBKVSA-N	1	0	354.450	1.646	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]CCOCC(F)F)[C@H](C)C2)nn1	ZINC001106743445	877425646	/nfs/dbraw/zinc/42/56/46/877425646.db2.gz	KZMWEMBMSVBQSG-CHWSQXEVSA-N	1	0	357.405	1.044	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC)[C@H](C)C1	ZINC001106748533	877463297	/nfs/dbraw/zinc/46/32/97/877463297.db2.gz	BUZIYQYRUPAEPR-CBZIJGRNSA-N	1	0	351.491	1.178	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nc(C)c[nH]2)C[C@H]1C	ZINC001106748572	877463733	/nfs/dbraw/zinc/46/37/33/877463733.db2.gz	DVFFARLHXPKWRJ-GDBMZVCRSA-N	1	0	361.490	1.440	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2cnc3n[nH]nc3c2)[C@H](OC)C1	ZINC001212414515	912248482	/nfs/dbraw/zinc/24/84/82/912248482.db2.gz	LKLSQFAOJYYONF-HZPDHXFCSA-N	1	0	358.446	1.528	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c(C)nn(CC)c2C)C[C@H]1C	ZINC001106769631	877681040	/nfs/dbraw/zinc/68/10/40/877681040.db2.gz	FEEIAPKPGPLSBG-CZUORRHYSA-N	1	0	361.490	1.120	20	30		FDEDRO
C=CCc1cc(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)cc(OC)c1OC	ZINC000673515044	877757393	/nfs/dbraw/zinc/75/73/93/877757393.db2.gz	ASJKVQNIRIJNSQ-IRXDYDNUSA-N	1	0	360.454	1.713	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cccc3)nc2)C[C@H]1C	ZINC001106778354	877786544	/nfs/dbraw/zinc/78/65/44/877786544.db2.gz	HVZXCSIXDAGBHL-IEBWSBKVSA-N	1	0	366.465	1.820	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCc3ccccc32)C[C@H]1C	ZINC001106781047	877804948	/nfs/dbraw/zinc/80/49/48/877804948.db2.gz	OELVLPWOTBSAEK-BHIYHBOVSA-N	1	0	367.493	1.540	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(C)c2Cl)C[C@H]1C	ZINC001106782420	877812129	/nfs/dbraw/zinc/81/21/29/877812129.db2.gz	VIMLMCQXYLLRMS-HUUCEWRRSA-N	1	0	361.873	1.696	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)C(C)(C)C)C[C@]3(C)C2)CC1	ZINC000993410857	877934485	/nfs/dbraw/zinc/93/44/85/877934485.db2.gz	FRXAGFUNDWWEQH-UTKZUKDTSA-N	1	0	359.514	1.685	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccnc2N2CCCC2)C[C@H]1C(F)(F)F	ZINC001099275579	878032730	/nfs/dbraw/zinc/03/27/30/878032730.db2.gz	HAXWOJXXFMQBFN-HUUCEWRRSA-N	1	0	366.387	1.908	20	30		FDEDRO
CS(C)(=O)=NS(=O)(=O)CCNCc1ccc(C2(C#N)CC2)cc1	ZINC000922493147	878357888	/nfs/dbraw/zinc/35/78/88/878357888.db2.gz	LGSNVOYLMHOUHP-UHFFFAOYSA-N	1	0	355.485	1.389	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3sccc3c2)C[C@H]1C	ZINC001106824988	878391417	/nfs/dbraw/zinc/39/14/17/878391417.db2.gz	TWHGAEGXIKWLTC-RHSMWYFYSA-N	1	0	369.490	1.948	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3cn4c(C)csc4n3)[C@H]2C1	ZINC001083161123	912345225	/nfs/dbraw/zinc/34/52/25/912345225.db2.gz	LVZYWHGUAGYRAO-JKSUJKDBSA-N	1	0	360.483	1.734	20	30		FDEDRO
C[C@H](C#N)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CC[NH+](C)C)C2	ZINC001004273853	878744902	/nfs/dbraw/zinc/74/49/02/878744902.db2.gz	UJZMUCXDOMQZSE-OPNNQBFTSA-N	1	0	368.481	1.812	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)C1	ZINC001033089303	878841701	/nfs/dbraw/zinc/84/17/01/878841701.db2.gz	AOHCUNFGVWFNJK-KSZLIROESA-N	1	0	359.470	1.399	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O	ZINC000922731096	879131545	/nfs/dbraw/zinc/13/15/45/879131545.db2.gz	LGLSFNARKFIUJL-AKOCFDCFSA-N	1	0	351.491	1.499	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1C[C@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O	ZINC000922731095	879132062	/nfs/dbraw/zinc/13/20/62/879132062.db2.gz	LGEFVFZAQYQPLS-YYCWZVFASA-N	1	0	365.518	1.889	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CC1	ZINC001004492369	879701981	/nfs/dbraw/zinc/70/19/81/879701981.db2.gz	ZIWKYCXQIHOCBI-SQNIBIBYSA-N	1	0	361.486	1.136	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC000993873416	879929984	/nfs/dbraw/zinc/92/99/84/879929984.db2.gz	RVFOYQDJYPBAEX-XYPHTWIQSA-N	1	0	369.469	1.052	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CCc3ccc(CC)cc3)C[C@@H]2O)nn1	ZINC001083843727	879963880	/nfs/dbraw/zinc/96/38/80/879963880.db2.gz	VTQNKZHUIBUDIU-MJGOQNOKSA-N	1	0	369.469	1.044	20	30		FDEDRO
C[N@@H+]1C[C@H](C(=O)NCC2CN(C(=O)C#CC3CC3)C2)[C@@H](c2ccccc2)C1	ZINC001004673825	880062395	/nfs/dbraw/zinc/06/23/95/880062395.db2.gz	SBGZSDBFGLWKIA-UXHICEINSA-N	1	0	365.477	1.320	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC000993909809	880118280	/nfs/dbraw/zinc/11/82/80/880118280.db2.gz	BKZXWKZOGBIQLA-CKEIUWERSA-N	1	0	357.458	1.195	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC000993913217	880127963	/nfs/dbraw/zinc/12/79/63/880127963.db2.gz	UBAFPSYCENYPGW-BFYDXBDKSA-N	1	0	371.485	1.585	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC000993914254	880132239	/nfs/dbraw/zinc/13/22/39/880132239.db2.gz	OBQOOQJIBGTFSA-UKRRQHHQSA-N	1	0	368.441	1.077	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1	ZINC000993961993	880180918	/nfs/dbraw/zinc/18/09/18/880180918.db2.gz	VULIKFGFCYMDNH-KURKYZTESA-N	1	0	361.486	1.312	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2csc(Cl)n2)C[C@H]1C	ZINC001106838552	880359314	/nfs/dbraw/zinc/35/93/14/880359314.db2.gz	YHUXIZJDKLVDHF-GRYCIOLGSA-N	1	0	370.906	1.785	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOC)CC2(CCOCC2)C1	ZINC001089942233	912570278	/nfs/dbraw/zinc/57/02/78/912570278.db2.gz	RQSWZYJSAYSERI-KSZLIROESA-N	1	0	366.502	1.601	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](CNC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1	ZINC000994110091	880776325	/nfs/dbraw/zinc/77/63/25/880776325.db2.gz	SENKALYWMATUCR-UMVBOHGHSA-N	1	0	362.499	1.794	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCN(C(=O)CC)C2)C[C@H]1C	ZINC001106843973	880873158	/nfs/dbraw/zinc/87/31/58/880873158.db2.gz	PKWFNFRHGIJVNG-BRWVUGGUSA-N	1	0	351.491	1.132	20	30		FDEDRO
C=C1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccn(C)c(=O)c4)C[C@@H]32)CC1	ZINC001083183831	912618979	/nfs/dbraw/zinc/61/89/79/912618979.db2.gz	YMQURNXWEPNUSA-RBUKOAKNSA-N	1	0	371.481	1.543	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC000994139362	880906205	/nfs/dbraw/zinc/90/62/05/880906205.db2.gz	KPUZULVDKNMNPB-KYJSFNMBSA-N	1	0	371.485	1.585	20	30		FDEDRO
C=C1CCC(C(=O)N2CCO[C@@H]3C[N@@H+]([C@@H]4CCCN(C)C4=O)C[C@@H]32)CC1	ZINC001083184104	912621137	/nfs/dbraw/zinc/62/11/37/912621137.db2.gz	QFUDKWULPIMTBU-FGTMMUONSA-N	1	0	361.486	1.265	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2	ZINC000994215760	881052772	/nfs/dbraw/zinc/05/27/72/881052772.db2.gz	MYVKGGBZUBNKOV-SJLPKXTDSA-N	1	0	357.498	1.487	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1	ZINC000994217727	881056981	/nfs/dbraw/zinc/05/69/81/881056981.db2.gz	SIKUEWVBKXPMGY-CZUORRHYSA-N	1	0	357.458	1.052	20	30		FDEDRO
Cc1nc(C2CC2)oc1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O	ZINC001083846066	881131272	/nfs/dbraw/zinc/13/12/72/881131272.db2.gz	GLLDXXBALJJZHJ-SJORKVTESA-N	1	0	366.421	1.707	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC)[C@H](C)C1	ZINC001106858248	881137780	/nfs/dbraw/zinc/13/77/80/881137780.db2.gz	BNHRDYZZBJJEJN-HUUCEWRRSA-N	1	0	360.458	1.080	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@@H+](C)C2CCC2)cn1	ZINC001004741409	881184965	/nfs/dbraw/zinc/18/49/65/881184965.db2.gz	XEKYSUIAPFOPOK-QRVBRYPASA-N	1	0	366.465	1.409	20	30		FDEDRO
C[C@@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)C1=CC[N@H+](C)CC1	ZINC000272734441	881189722	/nfs/dbraw/zinc/18/97/22/881189722.db2.gz	CBKRDFOYWWWYKY-OAHLLOKOSA-N	1	0	354.458	1.435	20	30		FDEDRO
COC(=O)[C@@H]1CC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1	ZINC000917158829	883149169	/nfs/dbraw/zinc/14/91/69/883149169.db2.gz	XIGQCIANXSWWIR-OCCSQVGLSA-N	1	0	350.378	1.719	20	30		FDEDRO
CCN(CCC[NH2+]Cc1ccc(N(C)CCC#N)cc1)S(C)(=O)=O	ZINC000917394311	883368075	/nfs/dbraw/zinc/36/80/75/883368075.db2.gz	IYOBJVOYBDKORP-UHFFFAOYSA-N	1	0	352.504	1.798	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)c1occc1C[NH+](C)C	ZINC000994522114	883393534	/nfs/dbraw/zinc/39/35/34/883393534.db2.gz	OYWYKTPNKZUKBP-RHSMWYFYSA-N	1	0	357.454	1.579	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(c3cc(C)nc(C)n3)C2)CC1	ZINC000917637990	883607571	/nfs/dbraw/zinc/60/75/71/883607571.db2.gz	VILGNLCQGHTDRL-GOSISDBHSA-N	1	0	370.501	1.459	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCCS2(=O)=O)C[C@H]1C(F)(F)F	ZINC001099320315	883706839	/nfs/dbraw/zinc/70/68/39/883706839.db2.gz	LQVQLPMGHJJVRQ-WZRBSPASSA-N	1	0	354.394	1.119	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](CC2CCC3(CC3)CC2)C[C@@H]1n1ccnn1	ZINC001128830162	883755404	/nfs/dbraw/zinc/75/54/04/883755404.db2.gz	NHJNGGVPBLOCHP-UAGQMJEPSA-N	1	0	356.474	1.750	20	30		FDEDRO
Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H](C)C#N)[C@@H](n3ccnn3)C2)c(C)c1	ZINC001128830782	883757370	/nfs/dbraw/zinc/75/73/70/883757370.db2.gz	YAUOVQFDKYFNFC-JQHSSLGASA-N	1	0	352.442	1.596	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@@H]1n1ccnn1	ZINC001128869118	883874408	/nfs/dbraw/zinc/87/44/08/883874408.db2.gz	DPXWLLPZFBPDCK-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)CC1	ZINC001005523142	883918425	/nfs/dbraw/zinc/91/84/25/883918425.db2.gz	XRBAJRYSAWVTIF-MOPGFXCFSA-N	1	0	358.486	1.834	20	30		FDEDRO
C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC001034269466	884053573	/nfs/dbraw/zinc/05/35/73/884053573.db2.gz	FASHLYHVEUIYAJ-MCIONIFRSA-N	1	0	350.381	1.880	20	30		FDEDRO
N#Cc1ccc(CN2CCCC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1F	ZINC001034399145	884296451	/nfs/dbraw/zinc/29/64/51/884296451.db2.gz	NWMWVWCOGGEQFY-XHSDSOJGSA-N	1	0	358.417	1.289	20	30		FDEDRO
CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1	ZINC001034401171	884307430	/nfs/dbraw/zinc/30/74/30/884307430.db2.gz	ZOUAMWNVTFIGEM-OKZBNKHCSA-N	1	0	361.486	1.150	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccc(C(N)=O)cc2)C1	ZINC001034404033	884317397	/nfs/dbraw/zinc/31/73/97/884317397.db2.gz	NTZVEHMKVHNBSR-OTWHNJEPSA-N	1	0	371.481	1.847	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1	ZINC000918373663	884383682	/nfs/dbraw/zinc/38/36/82/884383682.db2.gz	ISMFJVWXCVUQGZ-OAHLLOKOSA-N	1	0	365.499	1.755	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001061757895	884460210	/nfs/dbraw/zinc/46/02/10/884460210.db2.gz	QJZQMXWYNGDQRS-IJEWVQPXSA-N	1	0	356.474	1.193	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1	ZINC000999499021	912843287	/nfs/dbraw/zinc/84/32/87/912843287.db2.gz	YNDZQYAXSSLJOT-MGPQQGTHSA-N	1	0	360.296	1.195	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC2)C1=O	ZINC001034665481	884637538	/nfs/dbraw/zinc/63/75/38/884637538.db2.gz	KINNUOVUFXMTGQ-WRQOLXDDSA-N	1	0	371.485	1.317	20	30		FDEDRO
C#CCOCCC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001078971715	884639153	/nfs/dbraw/zinc/63/91/53/884639153.db2.gz	FTYWIWNNJTWHDT-KZNAEPCWSA-N	1	0	363.502	1.206	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)n1	ZINC000246190415	884874678	/nfs/dbraw/zinc/87/46/78/884874678.db2.gz	WZVDLPYPDZUQCY-ZNMIVQPWSA-N	1	0	374.489	1.757	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cn3c(n2)CCC3)[C@@H](n2ccnn2)C1	ZINC001128999267	884950707	/nfs/dbraw/zinc/95/07/07/884950707.db2.gz	UNQVAXUGTWPTNG-INMHGKMJSA-N	1	0	369.473	1.431	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)[C@@H](n2ccnn2)C1	ZINC001129004455	884996016	/nfs/dbraw/zinc/99/60/16/884996016.db2.gz	PPSAGUAQEMPFHV-ZRSRNVLSSA-N	1	0	371.485	1.425	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)O1	ZINC000999494916	912895596	/nfs/dbraw/zinc/89/55/96/912895596.db2.gz	JHVPFXRKABLRRM-CKEIUWERSA-N	1	0	362.499	1.419	20	30		FDEDRO
C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)c2cccc(Cl)c2C#N)C1	ZINC000918946557	885072018	/nfs/dbraw/zinc/07/20/18/885072018.db2.gz	HTEBBMGCOFBLMT-HNNXBMFYSA-N	1	0	357.863	1.289	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)C(CC=C)CC=C)[C@@H](n2ccnn2)C1	ZINC001129014515	885124637	/nfs/dbraw/zinc/12/46/37/885124637.db2.gz	LOGGVRBMUUVFGX-MSOLQXFVSA-N	1	0	359.474	1.591	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C)C[C@@H]1O	ZINC001083967466	912909034	/nfs/dbraw/zinc/90/90/34/912909034.db2.gz	JATUWJXEAQNODL-MOPGFXCFSA-N	1	0	365.433	1.377	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccnn2CCC)[C@@H](n2ccnn2)C1	ZINC001129019871	885247491	/nfs/dbraw/zinc/24/74/91/885247491.db2.gz	CGMBPQVJCZIISR-JZXOWHBKSA-N	1	0	371.489	1.895	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCC3(F)F)C[C@@H]2O)cn1	ZINC001083969082	912917544	/nfs/dbraw/zinc/91/75/44/912917544.db2.gz	UDQCCUGGJRLYGF-UAGQMJEPSA-N	1	0	363.408	1.663	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc3n(n2)CCC3)[C@@H](n2ccnn2)C1	ZINC001129031974	885361902	/nfs/dbraw/zinc/36/19/02/885361902.db2.gz	LHMDWFTUUQSVDW-OLMNPRSZSA-N	1	0	369.473	1.431	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc3n(n2)CCC3)[C@@H](n2ccnn2)C1	ZINC001129031977	885362526	/nfs/dbraw/zinc/36/25/26/885362526.db2.gz	LHMDWFTUUQSVDW-QGTPRVQTSA-N	1	0	369.473	1.431	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]2n2ccnn2)CCC1	ZINC001129049498	885542016	/nfs/dbraw/zinc/54/20/16/885542016.db2.gz	YOCYSZVFKGXVFQ-MSOLQXFVSA-N	1	0	371.485	1.240	20	30		FDEDRO
C=CCCCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001061833012	885550522	/nfs/dbraw/zinc/55/05/22/885550522.db2.gz	OVKQSZMZQWPQOO-YESZJQIVSA-N	1	0	351.491	1.417	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001035051996	885556185	/nfs/dbraw/zinc/55/61/85/885556185.db2.gz	HOPYNCRTTMSOJX-WQVCFCJDSA-N	1	0	360.483	1.425	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)n2cnc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129064715	885627530	/nfs/dbraw/zinc/62/75/30/885627530.db2.gz	MPXKLFODKMSPKD-SJORKVTESA-N	1	0	371.489	1.526	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)OCc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129098008	885727819	/nfs/dbraw/zinc/72/78/19/885727819.db2.gz	APDJRXZCJXIJJX-UHOSZYNNSA-N	1	0	369.469	1.801	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cc(C)nn2C)[C@@H](n2ccnn2)C1	ZINC001129098964	885731293	/nfs/dbraw/zinc/73/12/93/885731293.db2.gz	WECLDGGBIDLBQC-JQHSSLGASA-N	1	0	371.489	1.259	20	30		FDEDRO
C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1	ZINC001035370157	885923937	/nfs/dbraw/zinc/92/39/37/885923937.db2.gz	IWTPFFGNXNHAFG-OTWHNJEPSA-N	1	0	359.470	1.942	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCC2CCOCC2)CCO1	ZINC001035371042	885927831	/nfs/dbraw/zinc/92/78/31/885927831.db2.gz	UWNYVGQWPJKHNH-OTWHNJEPSA-N	1	0	366.502	1.601	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(Cc3cccc(C#N)c3)CCO2)CC[N@@H+]1C	ZINC001035376827	885983782	/nfs/dbraw/zinc/98/37/82/885983782.db2.gz	UQSUEAVLRBFCMV-HSALFYBXSA-N	1	0	370.497	1.606	20	30		FDEDRO
C#CCCCCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1n1ccnn1	ZINC001129179368	886008096	/nfs/dbraw/zinc/00/80/96/886008096.db2.gz	CYKDWTZNZGYIEL-KURKYZTESA-N	1	0	359.474	1.240	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1n1ccnn1	ZINC001129188982	886117789	/nfs/dbraw/zinc/11/77/89/886117789.db2.gz	FTVIVXMLALXLNX-NXHRZFHOSA-N	1	0	371.489	1.198	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCCCC3)[C@H](C)C2)nc1	ZINC001106897904	886332712	/nfs/dbraw/zinc/33/27/12/886332712.db2.gz	PMTCFZQZTVXABD-SJLPKXTDSA-N	1	0	368.481	1.373	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)CC1	ZINC000919966792	886473255	/nfs/dbraw/zinc/47/32/55/886473255.db2.gz	FWLNUQGFVHPQDU-AWEZNQCLSA-N	1	0	363.483	1.581	20	30		FDEDRO
C[N@@H+]1C[C@H](C(=O)N2CCC3(CN(CC#N)C3)CC2)[C@@H](c2ccccc2)C1	ZINC001035803483	886491364	/nfs/dbraw/zinc/49/13/64/886491364.db2.gz	NKFCEWJGPBHEBL-MOPGFXCFSA-N	1	0	352.482	1.780	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2conc2CC)[C@@H](n2ccnn2)C1	ZINC001129233391	886715483	/nfs/dbraw/zinc/71/54/83/886715483.db2.gz	MROACRPGUHXXLD-XYPHTWIQSA-N	1	0	358.446	1.839	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(C#N)s1)C2	ZINC000920275789	886803377	/nfs/dbraw/zinc/80/33/77/886803377.db2.gz	UNDJOIOBKAGPGL-VDERGJSUSA-N	1	0	369.512	1.378	20	30		FDEDRO
CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)CC3(CC#N)CC3)C2)[C@@H]1C(C)C	ZINC000920301424	886837359	/nfs/dbraw/zinc/83/73/59/886837359.db2.gz	CKYBVCGHFGSMPB-CBZIJGRNSA-N	1	0	369.531	1.469	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1	ZINC000920423656	886924500	/nfs/dbraw/zinc/92/45/00/886924500.db2.gz	WLMYNNWOQALIEH-LSDHHAIUSA-N	1	0	352.479	1.984	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC(CN(C)c3cncc(C#N)n3)CC2)CC[N@@H+]1C	ZINC001062234756	886991039	/nfs/dbraw/zinc/99/10/39/886991039.db2.gz	LKTQEAAXHVTGEC-ZWKOTPCHSA-N	1	0	370.501	1.753	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2nn(-c3ncccc3F)cc2C)CC1	ZINC000378222958	887157022	/nfs/dbraw/zinc/15/70/22/887157022.db2.gz	XMFJFRJUFPIYIR-UHFFFAOYSA-N	1	0	358.421	2.487	20	30		FDEDRO
C=CCCOCC(=O)OCC(=O)N1CCN(Cc2cccs2)CC1	ZINC000920730803	887212072	/nfs/dbraw/zinc/21/20/72/887212072.db2.gz	IXOWGTYXYQIFLI-UHFFFAOYSA-N	1	0	352.456	1.528	20	30		FDEDRO
N#Cc1c(NC(=O)c2cnn(CC[NH+]3CCCCC3)c2)n[nH]c1C1CC1	ZINC000377088103	887597495	/nfs/dbraw/zinc/59/74/95/887597495.db2.gz	GRRDESGSQKUBIC-UHFFFAOYSA-N	1	0	353.430	2.093	20	30		FDEDRO
C[NH+]1CCC(n2ccc(NC(=O)NCCc3cccc(C#N)c3)n2)CC1	ZINC000374151425	887611505	/nfs/dbraw/zinc/61/15/05/887611505.db2.gz	NWVGWLPKAJAQNM-UHFFFAOYSA-N	1	0	352.442	2.386	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)n1	ZINC000415436445	887611815	/nfs/dbraw/zinc/61/18/15/887611815.db2.gz	JPSIXBHAFQCYTL-STQMWFEESA-N	1	0	356.405	2.522	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])n2)c(F)c1	ZINC000415462402	887664078	/nfs/dbraw/zinc/66/40/78/887664078.db2.gz	PLUTZVAKZPHKCP-UKRRQHHQSA-N	1	0	356.405	2.522	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CN(C(=O)Nc3ccn(CCC#N)n3)C[C@H]2[C@@H]1c1ccccc1	ZINC000372642413	887665694	/nfs/dbraw/zinc/66/56/94/887665694.db2.gz	CNUTWNZSCNWSIC-LMMKCTJWSA-N	1	0	364.453	2.563	20	30		FDEDRO
CO[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@H]1NC(=O)C#CC(C)(C)C	ZINC001212255929	887937526	/nfs/dbraw/zinc/93/75/26/887937526.db2.gz	RYCKCKRHDHKYBN-FGTMMUONSA-N	1	0	350.503	1.793	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1CN(Cc2sccc2Cl)C[C@H]1OC	ZINC001212262259	888154651	/nfs/dbraw/zinc/15/46/51/888154651.db2.gz	JDRYRDYXORKHKT-ZIAGYGMSSA-N	1	0	356.875	1.757	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1CN(Cc2oc(C(C)C)nc2C)C[C@H]1OC	ZINC001212262545	888166328	/nfs/dbraw/zinc/16/63/28/888166328.db2.gz	RNFCQMCWXLPESS-NVXWUHKLSA-N	1	0	363.458	1.462	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cn1	ZINC000938373676	888516451	/nfs/dbraw/zinc/51/64/51/888516451.db2.gz	ORMZAYDNAQQGNE-OKZBNKHCSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=C(Cl)C[C@@H]1NC(=O)N(C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1=O	ZINC000925345113	913284644	/nfs/dbraw/zinc/28/46/44/913284644.db2.gz	WJXPZZVSDSOZFM-ZNMIVQPWSA-N	1	0	355.866	1.817	20	30		FDEDRO
COc1ccccc1[C@H]1C[NH2+]CCN1C[C@@H](O)COc1ccccc1C#N	ZINC000923349685	888953945	/nfs/dbraw/zinc/95/39/45/888953945.db2.gz	VULGMFBIHGGJDQ-IEBWSBKVSA-N	1	0	367.449	1.953	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)CN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1	ZINC000923401461	889140938	/nfs/dbraw/zinc/14/09/38/889140938.db2.gz	NHYVOUPBGVTBIR-SQWLQELKSA-N	1	0	357.376	1.757	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)CN1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1	ZINC000923402561	889141852	/nfs/dbraw/zinc/14/18/52/889141852.db2.gz	YEKIHBFBRPJETH-RBSFLKMASA-N	1	0	357.376	1.757	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1	ZINC000938716926	889144110	/nfs/dbraw/zinc/14/41/10/889144110.db2.gz	LMHZPYXKIDCNAB-AOIWGVFYSA-N	1	0	363.502	1.511	20	30		FDEDRO
C#CCN(C(=O)NC[C@@H]1c2ccccc2C(=O)N1C)C1CC[NH+](C)CC1	ZINC000923442372	889284226	/nfs/dbraw/zinc/28/42/26/889284226.db2.gz	PDDRUUKIDYDWFL-GOSISDBHSA-N	1	0	354.454	1.552	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1	ZINC000938862926	889442441	/nfs/dbraw/zinc/44/24/41/889442441.db2.gz	HVWGACXNUCSXIB-BBWFWOEESA-N	1	0	361.486	1.171	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCc1sccc1C	ZINC001127604296	889490383	/nfs/dbraw/zinc/49/03/83/889490383.db2.gz	CQBFTJPFPJZMMJ-CABCVRRESA-N	1	0	365.499	1.360	20	30		FDEDRO
C#Cc1ccc(C(=O)NC2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)cn1	ZINC000946914627	889683685	/nfs/dbraw/zinc/68/36/85/889683685.db2.gz	VTQGAOZGERSPBL-RBUKOAKNSA-N	1	0	368.481	1.514	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O	ZINC001084091553	913375620	/nfs/dbraw/zinc/37/56/20/913375620.db2.gz	CRCKLPLKLBQEFL-AABGKKOBSA-N	1	0	355.482	1.074	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CCOCc1ccc(OC)cc1	ZINC001127609229	889739856	/nfs/dbraw/zinc/73/98/56/889739856.db2.gz	QSGJXGTZVMDHMZ-MOPGFXCFSA-N	1	0	362.470	1.899	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)C[C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)C1	ZINC000923555464	889771290	/nfs/dbraw/zinc/77/12/90/889771290.db2.gz	QUHCVZOFVSVQQZ-UNMCSNQZSA-N	1	0	369.509	1.617	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)c2nnn(Cc3ccc(F)cc3)c2C)C1	ZINC000923561105	889805755	/nfs/dbraw/zinc/80/57/55/889805755.db2.gz	RMJZMVRDPSUPNC-QGZVFWFLSA-N	1	0	355.417	1.601	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)C1	ZINC000923573299	889904451	/nfs/dbraw/zinc/90/44/51/889904451.db2.gz	LPCNPOUIPHDMIY-ZDUSSCGKSA-N	1	0	362.499	1.884	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1	ZINC000923580115	889957878	/nfs/dbraw/zinc/95/78/78/889957878.db2.gz	YKCHQWKXTLPWBU-GOSISDBHSA-N	1	0	366.465	1.927	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cn3c(n2)CCCC3)[C@H](OC)C1	ZINC001212301050	889978434	/nfs/dbraw/zinc/97/84/34/889978434.db2.gz	AAEXWQFFHBXUPM-KBAYOESNSA-N	1	0	360.502	1.932	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)CCc2ccc(OC)c(OC)c2OC)C1	ZINC000923583262	889979309	/nfs/dbraw/zinc/97/93/09/889979309.db2.gz	RYYJLZPORBVPLH-MRXNPFEDSA-N	1	0	360.454	1.859	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)CCc2nc(-c3ccc(OC)cc3)no2)C1	ZINC000923588628	889990924	/nfs/dbraw/zinc/99/09/24/889990924.db2.gz	GVSAWTGHPBDJDE-MRXNPFEDSA-N	1	0	368.437	1.892	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)CCn2c(=O)oc3cc(Cl)ccc32)C1	ZINC000923591490	890006565	/nfs/dbraw/zinc/00/65/65/890006565.db2.gz	CDGMGYZRMOEBII-AWEZNQCLSA-N	1	0	361.829	1.852	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)Oc2cccc(F)c2)[C@H](OC)C1	ZINC001212313223	890046650	/nfs/dbraw/zinc/04/66/50/890046650.db2.gz	JRTNFQPGDHRJKC-ZTFGCOKTSA-N	1	0	366.433	1.611	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N[C@@H]1CN([C@H](C)C(=O)NC2CC2)C[C@H]1OC	ZINC001212323250	890151204	/nfs/dbraw/zinc/15/12/04/890151204.db2.gz	QBLNAHIFNIFSAF-LERXQTSPSA-N	1	0	357.882	1.248	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1OC	ZINC001212338109	890339791	/nfs/dbraw/zinc/33/97/91/890339791.db2.gz	COZMORHKHSRGCJ-ARFHVFGLSA-N	1	0	351.491	1.320	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC2(CNC(=O)CC#Cc3ccccc3)CCC2)CC[N@@H+]1C	ZINC001063246807	890386325	/nfs/dbraw/zinc/38/63/25/890386325.db2.gz	JKMUZPDDUKUGFT-IEBWSBKVSA-N	1	0	367.493	1.924	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CCNc3ccncc3C#N)C2)CC[N@@H+]1C	ZINC001063302416	890430748	/nfs/dbraw/zinc/43/07/48/890430748.db2.gz	WXUKTOVVWWKEQA-SOLBZPMBSA-N	1	0	355.486	1.756	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](N(C)C(=O)CC[NH+](C)C)CC1	ZINC001079068960	890493141	/nfs/dbraw/zinc/49/31/41/890493141.db2.gz	VOTAOZBEXPLKOL-LNLFQRSKSA-N	1	0	365.518	1.759	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1	ZINC000939490627	890742114	/nfs/dbraw/zinc/74/21/14/890742114.db2.gz	KGRLIJKSCVQAEH-TVFCKZIOSA-N	1	0	363.502	1.273	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc(OC)c2)C[C@H]1C	ZINC001106914731	890828722	/nfs/dbraw/zinc/82/87/22/890828722.db2.gz	AYFCQAULKPTSPS-HLLBOEOZSA-N	1	0	359.470	1.684	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCO[C@H]1C(C)C	ZINC001127632797	890965320	/nfs/dbraw/zinc/96/53/20/890965320.db2.gz	GFKRDYIZVIANOC-BZSNNMDCSA-N	1	0	367.534	1.957	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1	ZINC000939705180	891082332	/nfs/dbraw/zinc/08/23/32/891082332.db2.gz	PEUYZQPIUZKWQH-ZACQAIPSSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000939762979	891215365	/nfs/dbraw/zinc/21/53/65/891215365.db2.gz	ZBBKLZMAFRBPGZ-KURKYZTESA-N	1	0	368.437	1.598	20	30		FDEDRO
C=CC[NH+]1CCC(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1	ZINC001001923497	891620240	/nfs/dbraw/zinc/62/02/40/891620240.db2.gz	GQCBFOJGWWRQLV-PKOBYXMFSA-N	1	0	356.470	1.615	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@H]2C)c1	ZINC000940010473	891624466	/nfs/dbraw/zinc/62/44/66/891624466.db2.gz	CLRUYGPPVPJCHD-LZQZEXGQSA-N	1	0	368.481	1.512	20	30		FDEDRO
CC1([NH2+]Cc2ccc(F)c(C#N)c2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000940106978	891814323	/nfs/dbraw/zinc/81/43/23/891814323.db2.gz	AYWZEIWTFJZEHO-GDBMZVCRSA-N	1	0	360.389	1.833	20	30		FDEDRO
CC(C)(C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C#N)[nH]1)C2)[NH+]1CCCC1	ZINC001002089840	891912012	/nfs/dbraw/zinc/91/20/12/891912012.db2.gz	IBWWQEONXQUOCB-OIISXLGYSA-N	1	0	369.469	1.622	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[NH+]3CCC2CC3)c[nH]1	ZINC001002142962	891982615	/nfs/dbraw/zinc/98/26/15/891982615.db2.gz	NZUTXKQPARUZQN-TVFCKZIOSA-N	1	0	367.453	1.090	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(C#N)c1)C2	ZINC001002141390	892028173	/nfs/dbraw/zinc/02/81/73/892028173.db2.gz	KABALHHXBMVJQI-ZJPYXAASSA-N	1	0	369.469	1.622	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1coc(CC)n1)C2	ZINC001002168837	892067926	/nfs/dbraw/zinc/06/79/26/892067926.db2.gz	LFCBCLWVMGPWTA-JHNDHUHGSA-N	1	0	370.453	1.196	20	30		FDEDRO
C=CCCOCC(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000672213381	892087911	/nfs/dbraw/zinc/08/79/11/892087911.db2.gz	HXFXUFRCKZXJNE-HXUWFJFHSA-N	1	0	357.498	1.998	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)cc1	ZINC000940288309	892161563	/nfs/dbraw/zinc/16/15/63/892161563.db2.gz	RVIARYXBVDHFRA-JTDSTZFVSA-N	1	0	353.466	1.729	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2cc(OCC)n[nH]2)[C@H](OC)C1	ZINC001212445999	892290780	/nfs/dbraw/zinc/29/07/80/892290780.db2.gz	AEXFNYBBTMTCHS-HZPDHXFCSA-N	1	0	350.463	1.984	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CC(C)(C)CO2)C[C@H]1C	ZINC001106920198	892525452	/nfs/dbraw/zinc/52/54/52/892525452.db2.gz	OAZJDCPWRFOKOJ-BRWVUGGUSA-N	1	0	363.502	1.015	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCC)[C@H](C)C1	ZINC001106922985	892599366	/nfs/dbraw/zinc/59/93/66/892599366.db2.gz	WOWJLYZWAOPVGM-YLJYHZDGSA-N	1	0	369.509	1.811	20	30		FDEDRO
COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)c1	ZINC000182405480	892731319	/nfs/dbraw/zinc/73/13/19/892731319.db2.gz	VJXDLGBMUPTYMK-YJBOKZPZSA-N	1	0	374.485	1.744	20	30		FDEDRO
N#Cc1sc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)nc1Cl	ZINC000888411356	892987597	/nfs/dbraw/zinc/98/75/97/892987597.db2.gz	WHKIMXHSMSEVEG-NXEZZACHSA-N	1	0	355.851	1.731	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]C[C@H](O)COC)[C@H](C)C2)CCOCC1	ZINC001106933273	893037844	/nfs/dbraw/zinc/03/78/44/893037844.db2.gz	LFOMNQHANIOMEN-ZACQAIPSSA-N	1	0	354.491	1.051	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)CC1(C)C	ZINC000940753929	893128008	/nfs/dbraw/zinc/12/80/08/893128008.db2.gz	QRKQZZFWCQXBBV-IXDOHACOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1C	ZINC001106934936	893131598	/nfs/dbraw/zinc/13/15/98/893131598.db2.gz	ALGPGHLVMLCAJI-HZPDHXFCSA-N	1	0	359.536	1.308	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CN(C)C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC001002555286	893200801	/nfs/dbraw/zinc/20/08/01/893200801.db2.gz	IHSAZNGNFCHQLE-FVQBIDKESA-N	1	0	357.458	1.290	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2C2CC2)CC1	ZINC001002556368	893206900	/nfs/dbraw/zinc/20/69/00/893206900.db2.gz	UELITEHNZCAPIN-SLFFLAALSA-N	1	0	371.525	1.827	20	30		FDEDRO
N#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](C[C@H](O)Cc4ccccc4)C[C@H]32)[nH]1	ZINC001084288585	913819290	/nfs/dbraw/zinc/81/92/90/913819290.db2.gz	ZYBQQBJBTMONRR-YVWKXTFCSA-N	1	0	364.449	1.636	20	30		FDEDRO
N#Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](C[C@H](O)C4CCCCC4)C[C@H]32)c[nH]1	ZINC001084293391	913840032	/nfs/dbraw/zinc/84/00/32/913840032.db2.gz	DSVYZUBGKSNLHF-LZQZEXGQSA-N	1	0	356.470	1.974	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc5nonc5c4)C[C@H]32)c1	ZINC001084261692	913867792	/nfs/dbraw/zinc/86/77/92/913867792.db2.gz	UFCYARUYIHCRLY-RDTXWAMCSA-N	1	0	362.393	1.769	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)C[C@H](OC)c1ccc(F)cc1	ZINC000922025444	894535499	/nfs/dbraw/zinc/53/54/99/894535499.db2.gz	LRSYAAZRAJSBBX-SFHVURJKSA-N	1	0	368.474	1.872	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)C[C@H](OC)C1CCCCC1	ZINC000922025860	894536344	/nfs/dbraw/zinc/53/63/44/894536344.db2.gz	PQYHJYQYZXLCNG-SFHVURJKSA-N	1	0	356.532	1.941	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cn(C)nc1C(C)(C)C	ZINC000922026607	894543443	/nfs/dbraw/zinc/54/34/43/894543443.db2.gz	UUFIBJCNSZSRLR-UHFFFAOYSA-N	1	0	352.504	1.436	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1	ZINC000922024276	894561633	/nfs/dbraw/zinc/56/16/33/894561633.db2.gz	OECIWETZMNKIPG-UHFFFAOYSA-N	1	0	369.418	1.760	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccccc2OC)C[C@H]1C	ZINC001106957067	894959210	/nfs/dbraw/zinc/95/92/10/894959210.db2.gz	NGJXWDOYLYIKNY-SOLBZPMBSA-N	1	0	371.481	1.060	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CNC(=O)c2ccccc2C)C[C@H]1C	ZINC001106960258	895521158	/nfs/dbraw/zinc/52/11/58/895521158.db2.gz	HCRBTJRWDKZNHY-QZTJIDSGSA-N	1	0	371.481	1.059	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1	ZINC000941785626	895689348	/nfs/dbraw/zinc/68/93/48/895689348.db2.gz	KMRRTCBCZPIMHA-MBOZVWFJSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000941792717	895771928	/nfs/dbraw/zinc/77/19/28/895771928.db2.gz	XAIZGGRNIBPJNX-NJAFHUGGSA-N	1	0	368.437	1.646	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCc3ccccc32)CC1	ZINC000671092194	896426182	/nfs/dbraw/zinc/42/61/82/896426182.db2.gz	JEHDGUONXNQODX-QGZVFWFLSA-N	1	0	355.482	1.989	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C(C)(C)CC)C[C@H]2OC)CC1	ZINC000942128069	896428106	/nfs/dbraw/zinc/42/81/06/896428106.db2.gz	FXXLTJQZKUCODA-IAGOWNOFSA-N	1	0	363.502	1.110	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@@H+](CCCF)C2)nn1	ZINC000999987047	896518862	/nfs/dbraw/zinc/51/88/62/896518862.db2.gz	NEPVQHBABXAVRI-BBWFWOEESA-N	1	0	365.453	1.482	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)nn2)C1	ZINC000999992739	896532764	/nfs/dbraw/zinc/53/27/64/896532764.db2.gz	PVNMDGZKICZYPF-KCITZHQASA-N	1	0	353.470	1.767	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@]2(CC(C)C)CCNC2=O)[C@H](OC)C1	ZINC001212426286	896744482	/nfs/dbraw/zinc/74/44/82/896744482.db2.gz	VOICJJHAPSRIMR-MDZRGWNJSA-N	1	0	351.491	1.320	20	30		FDEDRO
CCOC(=O)c1cnn(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1C#N	ZINC000273467126	896829628	/nfs/dbraw/zinc/82/96/28/896829628.db2.gz	JJTVLYVJQXZRGB-KRWDZBQOSA-N	1	0	369.425	1.351	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCCC2=CCN(c3ccc(C#N)nn3)CC2)CC[N@@H+]1C	ZINC001089866403	897156274	/nfs/dbraw/zinc/15/62/74/897156274.db2.gz	JKAYLDLKDDPHND-ZWKOTPCHSA-N	1	0	368.485	1.721	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCCCCC2)C1	ZINC001000233171	897310180	/nfs/dbraw/zinc/31/01/80/897310180.db2.gz	SJYXDUBKLNHGJO-KSZLIROESA-N	1	0	363.502	1.561	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CCF)CC2(CCOCC2)C1	ZINC001089963614	897535401	/nfs/dbraw/zinc/53/54/01/897535401.db2.gz	HQGGZAAVEGZCDH-ULQDDVLXSA-N	1	0	354.466	1.924	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1N(C(=O)c1cc(C#N)c[nH]1)CC2	ZINC000995265378	897618102	/nfs/dbraw/zinc/61/81/02/897618102.db2.gz	YCGQDQPDMTUXJX-MBOZVWFJSA-N	1	0	369.469	1.482	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1O	ZINC001078026306	897632913	/nfs/dbraw/zinc/63/29/13/897632913.db2.gz	LTFKPCFNCGWSCO-QZTJIDSGSA-N	1	0	355.438	1.369	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)C[NH+]1CCC(C)CC1	ZINC001078026486	897633349	/nfs/dbraw/zinc/63/33/49/897633349.db2.gz	MOBBFCANWILIAR-LNLFQRSKSA-N	1	0	365.518	1.711	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H](OC)C3CCCC3)C[C@H]2O)nc1	ZINC001078031456	897670751	/nfs/dbraw/zinc/67/07/51/897670751.db2.gz	UZSVHWVWRHFETO-GUDVDZBRSA-N	1	0	357.454	1.043	20	30		FDEDRO
CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1	ZINC000942815312	897903438	/nfs/dbraw/zinc/90/34/38/897903438.db2.gz	WYTQFZVUWNMCLY-FVQBIDKESA-N	1	0	357.458	1.290	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[N@@H+](CCOC)CC2(CCOCC2)C1	ZINC001089965460	897907943	/nfs/dbraw/zinc/90/79/43/897907943.db2.gz	QFDFFBVWBRPODB-SQNIBIBYSA-N	1	0	366.502	1.601	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C3)cc1	ZINC001000479603	898030351	/nfs/dbraw/zinc/03/03/51/898030351.db2.gz	YGQCYIWRAWYXGP-XCLNPWKQSA-N	1	0	365.477	1.871	20	30		FDEDRO
C#Cc1ccc(C(=O)N(CC)[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC000942892128	898043289	/nfs/dbraw/zinc/04/32/89/898043289.db2.gz	IHQONLUKEPCWLO-AYOQOUSVSA-N	1	0	368.481	1.466	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000943166190	898413850	/nfs/dbraw/zinc/41/38/50/898413850.db2.gz	QURUEPYLNRTJBE-SOLBZPMBSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)NC(C)(C)C)C[C@H]1C	ZINC001106997678	898419626	/nfs/dbraw/zinc/41/96/26/898419626.db2.gz	PITDGPHPOIHWRS-HUUCEWRRSA-N	1	0	359.536	1.355	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1N(C(=O)C#CC1CC1)CC2	ZINC000995336366	898573323	/nfs/dbraw/zinc/57/33/23/898573323.db2.gz	BFSVNURDRUBNSL-DBXWQHBBSA-N	1	0	357.498	1.772	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccn2c[nH+]cc2c1	ZINC001077579439	898635231	/nfs/dbraw/zinc/63/52/31/898635231.db2.gz	ZTYQKOBBYFQENO-QGTPRVQTSA-N	1	0	370.453	1.940	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@@]2(CNC(=O)C34CCC[NH+]3CCC4)CCC[C@@H]12	ZINC000995343840	898769811	/nfs/dbraw/zinc/76/98/11/898769811.db2.gz	LTXRLDVZCIPNHK-WIYYLYMNSA-N	1	0	369.509	1.916	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C	ZINC001078533510	898878765	/nfs/dbraw/zinc/87/87/65/898878765.db2.gz	OHMWHFMFPQJKFR-VBQJREDUSA-N	1	0	360.458	1.363	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1	ZINC000921836901	898992891	/nfs/dbraw/zinc/99/28/91/898992891.db2.gz	JEHBQTFAZMERTE-ATZDWAIDSA-N	1	0	357.454	1.656	20	30		FDEDRO
C=CCN1CC[C@@H]([NH+]2CCC(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1=O	ZINC001001659838	899111870	/nfs/dbraw/zinc/11/18/70/899111870.db2.gz	YZQDKCVLMFXZRI-LHIBYTEYSA-N	1	0	373.497	1.025	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)CC2)CC[N@@H+]1C	ZINC000943666280	899151111	/nfs/dbraw/zinc/15/11/11/899151111.db2.gz	FAYYRUSSQVDBTK-DTZQCDIJSA-N	1	0	357.458	1.384	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(F)c3occc32)C[C@H]1C	ZINC001107002551	899159182	/nfs/dbraw/zinc/15/91/82/899159182.db2.gz	FRIYCRJPZHYXOL-ZIAGYGMSSA-N	1	0	371.412	1.619	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2COCCN2C(C)=O)C[C@H]1C	ZINC001107003821	899169746	/nfs/dbraw/zinc/16/97/46/899169746.db2.gz	AWRVVUFEBNYNID-BHIYHBOVSA-N	1	0	367.534	1.888	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C3)cc1	ZINC001001697471	899194612	/nfs/dbraw/zinc/19/46/12/899194612.db2.gz	YYVFJALJUFAOFJ-AKHDSKFASA-N	1	0	351.450	1.624	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cccc(C(=O)NC)c2)C[C@H]1C	ZINC001107007427	899413206	/nfs/dbraw/zinc/41/32/06/899413206.db2.gz	YOXYJXCBZBNTLW-CRAIPNDOSA-N	1	0	359.470	1.547	20	30		FDEDRO
C=CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)c1ccccc1	ZINC001107012404	899537814	/nfs/dbraw/zinc/53/78/14/899537814.db2.gz	QYMHEVHJNXRZOA-QRQLOZEOSA-N	1	0	368.481	1.670	20	30		FDEDRO
COCCOCC[NH2+]C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C	ZINC001107016748	899549671	/nfs/dbraw/zinc/54/96/71/899549671.db2.gz	CPHPXANXHXUUFL-UYAOXDASSA-N	1	0	358.482	1.775	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C)c1nnnn1C	ZINC001107017321	899554823	/nfs/dbraw/zinc/55/48/23/899554823.db2.gz	STFDASNLQNGMJI-SOLBZPMBSA-N	1	0	366.469	1.397	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C2)CCCCC1	ZINC001107020566	899598303	/nfs/dbraw/zinc/59/83/03/899598303.db2.gz	OCLABQQYTMPXOJ-HUUCEWRRSA-N	1	0	364.490	1.392	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC000944086580	899830791	/nfs/dbraw/zinc/83/07/91/899830791.db2.gz	LCWGKBCKCBBAKT-BRWVUGGUSA-N	1	0	358.486	1.735	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)oc3c2)C[C@H]1C	ZINC001107041037	900048773	/nfs/dbraw/zinc/04/87/73/900048773.db2.gz	YAFGFBDGQIWVBT-UKRRQHHQSA-N	1	0	357.410	1.481	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc(C3CC3)c2)C[C@H]1C	ZINC001107048263	900129251	/nfs/dbraw/zinc/12/92/51/900129251.db2.gz	PCWDYVYVDFHIPY-JXXFODFXSA-N	1	0	367.493	2.000	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]c3ncccc23)C[C@H]1C	ZINC001107049820	900172353	/nfs/dbraw/zinc/17/23/53/900172353.db2.gz	CEPURMZCSURZOS-NVXWUHKLSA-N	1	0	356.470	1.992	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@]2(C)CCc3ccccc32)C[C@H]1C	ZINC001107058559	900271594	/nfs/dbraw/zinc/27/15/94/900271594.db2.gz	OJGDHOBPBABNBQ-CDMIOBSGSA-N	1	0	367.493	1.324	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C(C)C)[C@H](C)C1	ZINC001107059044	900308824	/nfs/dbraw/zinc/30/88/24/900308824.db2.gz	OJBHFNVAYIFQGB-HUUCEWRRSA-N	1	0	350.467	1.031	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000944616810	900370166	/nfs/dbraw/zinc/37/01/66/900370166.db2.gz	RNYUAYCBZAMRLA-BZUAXINKSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cc(C)on2)[C@H](C)C1	ZINC001107063053	900448230	/nfs/dbraw/zinc/44/82/30/900448230.db2.gz	ALDIGNGCMNOKSM-BPLDGKMQSA-N	1	0	364.446	1.197	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)CC(F)(F)F)[C@H](C)C1	ZINC001107063750	900451072	/nfs/dbraw/zinc/45/10/72/900451072.db2.gz	ZHAUUAIFNXSMST-MCIONIFRSA-N	1	0	352.397	1.577	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCOC(C)C)C[C@H]1C	ZINC001107081030	900607278	/nfs/dbraw/zinc/60/72/78/900607278.db2.gz	IRRXEFICDZADLC-IXDOHACOSA-N	1	0	351.491	1.014	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(C)(F)F)C3)CC1	ZINC000995609155	900706069	/nfs/dbraw/zinc/70/60/69/900706069.db2.gz	HTCFMMAMYNVTIM-ILXRZTDVSA-N	1	0	353.413	1.235	20	30		FDEDRO
C[C@@H]1CN(C(=O)COC[C@H]2CCCO2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001107090652	900773399	/nfs/dbraw/zinc/77/33/99/900773399.db2.gz	PADFDDCAEFRFTJ-NSISKUIASA-N	1	0	371.481	1.938	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)C2CCC(NC(C)=O)CC2)C[C@H]1C	ZINC001107090919	900777160	/nfs/dbraw/zinc/77/71/60/900777160.db2.gz	XAKOSKZQNLWBFK-ZTRSQXPZSA-N	1	0	363.502	1.015	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)NC(=O)C2CCC2)C[C@H]1C	ZINC001107094931	900836935	/nfs/dbraw/zinc/83/69/35/900836935.db2.gz	UWLACQBGBPEGPW-HLLBOEOZSA-N	1	0	351.491	1.178	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](OC)C2CCCCC2)C[C@H]1C	ZINC001107104126	901176824	/nfs/dbraw/zinc/17/68/24/901176824.db2.gz	UOJDGMBSDBIEBO-QRQLOZEOSA-N	1	0	350.503	1.916	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)COCc2ccccc2C)[C@@H](n2ccnn2)C1	ZINC001129312294	901262945	/nfs/dbraw/zinc/26/29/45/901262945.db2.gz	AGMQNRUETHTQJJ-MOPGFXCFSA-N	1	0	367.453	1.168	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2C[C@H]2CC)CC3)CC1	ZINC000945067399	901263822	/nfs/dbraw/zinc/26/38/22/901263822.db2.gz	ZGVJMMMJTDNWGY-IEBWSBKVSA-N	1	0	371.525	1.829	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc(COC)on2)[C@@H](n2ccnn2)C1	ZINC001129313117	901281216	/nfs/dbraw/zinc/28/12/16/901281216.db2.gz	XYHPAIVQYZJIDV-CVEARBPZSA-N	1	0	360.418	1.034	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(C2CCN(c3cc(C)nc(C)n3)CC2)C1=O	ZINC000348556750	901320120	/nfs/dbraw/zinc/32/01/20/901320120.db2.gz	RXMKCHBUGGWHMR-OAHLLOKOSA-N	1	0	359.430	1.185	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2cncc(C#N)n2)CC[N@@H+]1C	ZINC001064544356	901396706	/nfs/dbraw/zinc/39/67/06/901396706.db2.gz	UZURNRRRASSQHD-XWTMOSNGSA-N	1	0	368.485	1.648	20	30		FDEDRO
C=CCOc1cccnc1-c1nc(CC(=O)N2CCC([NH+](C)C)CC2)no1	ZINC000350918898	901700144	/nfs/dbraw/zinc/70/01/44/901700144.db2.gz	BLSSVIKLYSSIDG-UHFFFAOYSA-N	1	0	371.441	1.792	20	30		FDEDRO
C[N@H+](CC(=O)N1CC[C@H]2CN(c3ncccc3C#N)C[C@H]21)CC(C)(C)C	ZINC001090356175	901828471	/nfs/dbraw/zinc/82/84/71/901828471.db2.gz	VQCPLCRRWGYBPV-DLBZAZTESA-N	1	0	355.486	1.968	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ncccn2)C1	ZINC001079146214	901963882	/nfs/dbraw/zinc/96/38/82/901963882.db2.gz	ZNUWYWDJTBOUPW-QZTJIDSGSA-N	1	0	350.422	1.187	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cn2cc(C)cn2)CC[C@H]1c1ccc(F)cc1	ZINC001079149909	901980291	/nfs/dbraw/zinc/98/02/91/901980291.db2.gz	RMUHAXOFUUFCRF-RBUKOAKNSA-N	1	0	354.429	1.938	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2nnc(C)[nH]2)CC[C@H]1c1ccc(F)cc1	ZINC001079152485	901988443	/nfs/dbraw/zinc/98/84/43/901988443.db2.gz	OKYXCORGJRMORN-DLBZAZTESA-N	1	0	355.417	1.402	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2n[nH]cc2C)C1	ZINC001079133569	901992784	/nfs/dbraw/zinc/99/27/84/901992784.db2.gz	OCXBVJCBBBLLMF-QZTJIDSGSA-N	1	0	352.438	1.429	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]1CN(CC#N)C[C@H]1O	ZINC001079137960	902015346	/nfs/dbraw/zinc/01/53/46/902015346.db2.gz	FESZMYSDQVLBCO-GUDVDZBRSA-N	1	0	356.470	1.068	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1	ZINC001079141556	902032191	/nfs/dbraw/zinc/03/21/91/902032191.db2.gz	LDYNWLHDWSKFGO-XNTOXWQXSA-N	1	0	370.493	1.919	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N(Cc2ccccc2)[C@@H]2CN(CC#N)C[C@H]2O)CC[N@@H+]1C	ZINC001079141746	902033854	/nfs/dbraw/zinc/03/38/54/902033854.db2.gz	WCKSSZKBBIQFNS-IJXRJRJASA-N	1	0	370.497	1.314	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)CC[C@H]1c1ccc(F)cc1	ZINC001079158203	902079194	/nfs/dbraw/zinc/07/91/94/902079194.db2.gz	XLYJFLGOVJEEKW-JKSUJKDBSA-N	1	0	356.401	1.486	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCCC[NH+]1CCN(C(=O)CC)CC1	ZINC001079160884	902085056	/nfs/dbraw/zinc/08/50/56/902085056.db2.gz	OBHYSBTYKIWEBV-HKUYNNGSSA-N	1	0	365.518	1.808	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCNC(=O)CC2)C[C@H]1c1cccc(F)c1	ZINC001079192644	902150857	/nfs/dbraw/zinc/15/08/57/902150857.db2.gz	SHRAUWPZPGJRMS-JCGIZDLHSA-N	1	0	357.429	1.259	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc(=O)n2C)C[C@H]1c1cccc(F)c1	ZINC001079197385	902162017	/nfs/dbraw/zinc/16/20/17/902162017.db2.gz	GGXCFSJBSFNHQY-DLBZAZTESA-N	1	0	353.397	1.355	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3cc[nH]c(=O)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079233930	902170269	/nfs/dbraw/zinc/17/02/69/902170269.db2.gz	ZQONMGMYVCJFJN-DLBZAZTESA-N	1	0	357.454	1.916	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3cnn4c3CCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079245056	902251922	/nfs/dbraw/zinc/25/19/22/902251922.db2.gz	VGEFLBMAVSEEFK-PKOBYXMFSA-N	1	0	370.497	1.958	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)C[C@@H]3CCNC3=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079245096	902253418	/nfs/dbraw/zinc/25/34/18/902253418.db2.gz	WVGQOAWZTICUOX-YESZJQIVSA-N	1	0	361.486	1.028	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)C[C@H]3CC(C)(C)CO3)[C@@H]3COC[C@@H]32)CC1	ZINC001079251473	902273732	/nfs/dbraw/zinc/27/37/32/902273732.db2.gz	ZABJLXWSXYFWOS-OKZBNKHCSA-N	1	0	360.498	1.764	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCO[C@H]3CC)[C@@H]3COC[C@@H]32)CC1	ZINC001079252477	902274193	/nfs/dbraw/zinc/27/41/93/902274193.db2.gz	KSRMNGGJYVOFFH-HCXYKTFWSA-N	1	0	360.498	1.764	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)[C@H](OC)C3CCC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079253921	902277326	/nfs/dbraw/zinc/27/73/26/902277326.db2.gz	HHKUKYNWAVLPDP-IPMKNSEASA-N	1	0	360.498	1.764	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc(C)nc(OC)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079258024	902290224	/nfs/dbraw/zinc/29/02/24/902290224.db2.gz	JOCHPPHQDKEZNR-ZWKOTPCHSA-N	1	0	369.465	1.585	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC(=O)N3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079258265	902291884	/nfs/dbraw/zinc/29/18/84/902291884.db2.gz	WARVKYDXOLUYOB-GVDBMIGSSA-N	1	0	361.486	1.123	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cn(CC)nc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079263661	902306616	/nfs/dbraw/zinc/30/66/16/902306616.db2.gz	FTPRAIDYBVJAGO-ZWKOTPCHSA-N	1	0	358.486	1.950	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cnn(CCC)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079263773	902306934	/nfs/dbraw/zinc/30/69/34/902306934.db2.gz	KMRHFNZRYWQABY-RBUKOAKNSA-N	1	0	370.497	1.869	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)C[C@H](C)n3ccnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079263908	902307425	/nfs/dbraw/zinc/30/74/25/902307425.db2.gz	RAOVWIJIXJNRLL-OKZBNKHCSA-N	1	0	356.470	1.407	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)CCc3cn[nH]c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079265265	902309164	/nfs/dbraw/zinc/30/91/64/902309164.db2.gz	ANMMECIPLQUMEJ-ZWKOTPCHSA-N	1	0	356.470	1.305	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cn(CCC)nn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079267950	902317705	/nfs/dbraw/zinc/31/77/05/902317705.db2.gz	DGYSODYYIUCPGV-FUHWJXTLSA-N	1	0	371.485	1.264	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)C[C@H](C)n3cccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269081	902322978	/nfs/dbraw/zinc/32/29/78/902322978.db2.gz	FGRCOSDPNLBOTC-OKZBNKHCSA-N	1	0	356.470	1.407	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3c[nH]c(C)cc3=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079269296	902325827	/nfs/dbraw/zinc/32/58/27/902325827.db2.gz	RAGHJFYHAKIYNO-DLBZAZTESA-N	1	0	357.454	1.422	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3ccc(OC)nn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269456	902327562	/nfs/dbraw/zinc/32/75/62/902327562.db2.gz	YWFLZQWWSSFVSA-GOEBONIOSA-N	1	0	358.442	1.224	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cc(Cl)no3)[C@@H]3COC[C@@H]32)CC1	ZINC001079270404	902330394	/nfs/dbraw/zinc/33/03/94/902330394.db2.gz	QGNGVNJLFXXPHT-UONOGXRCSA-N	1	0	363.845	1.904	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@H]([NH2+]Cc3ccc(C#N)cc3)C(C)(C)C2)C1	ZINC000995826667	902332537	/nfs/dbraw/zinc/33/25/37/902332537.db2.gz	WRQDDGCCBQHIHJ-OLMNPRSZSA-N	1	0	368.481	1.800	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@H](C)c3ccnn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079242983	902339013	/nfs/dbraw/zinc/33/90/13/902339013.db2.gz	DOUPCWSCQHJOAZ-SOLBZPMBSA-N	1	0	358.486	1.649	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3ccnc3C2)C[C@H]1c1ccccc1F	ZINC001079300927	902347875	/nfs/dbraw/zinc/34/78/75/902347875.db2.gz	VQYMLIRHNZABFB-HHXXYDBFSA-N	1	0	366.440	1.802	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1c1ccccc1F)C(N)=O	ZINC001079290317	902389100	/nfs/dbraw/zinc/38/91/00/902389100.db2.gz	FAYXVHXXGIGNQG-PZSREKOKSA-N	1	0	369.400	1.097	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]CCO)C2)cc1	ZINC001079305003	902435563	/nfs/dbraw/zinc/43/55/63/902435563.db2.gz	GTWYCGMCXDTPOK-AZUAARDMSA-N	1	0	352.409	1.997	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001079447651	902623665	/nfs/dbraw/zinc/62/36/65/902623665.db2.gz	QDZPUKYBXJWCEY-BPQIPLTHSA-N	1	0	365.518	1.757	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC001079592808	902875633	/nfs/dbraw/zinc/87/56/33/902875633.db2.gz	ZMDDEIMUQGFTDH-CXAGYDPISA-N	1	0	352.442	1.598	20	30		FDEDRO
COc1cccc([C@@H](O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)c1	ZINC001079601397	902900099	/nfs/dbraw/zinc/90/00/99/902900099.db2.gz	WTERLMMLNNEHCA-ZNOIYHFQSA-N	1	0	368.437	1.679	20	30		FDEDRO
CNC(=O)c1cccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)c1	ZINC001079601340	902900473	/nfs/dbraw/zinc/90/04/73/902900473.db2.gz	UOCVCUFOOFJQTG-FZKQIMNGSA-N	1	0	365.437	1.496	20	30		FDEDRO
C[C@@H]1CN(Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001079726497	903146004	/nfs/dbraw/zinc/14/60/04/903146004.db2.gz	YWGNTOASGLZNQZ-BCXHYRKLSA-N	1	0	358.461	1.974	20	30		FDEDRO
C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c[nH]c(C#N)c2)C3)CC1	ZINC000996128094	903164466	/nfs/dbraw/zinc/16/44/66/903164466.db2.gz	WQKNMMVKPYJROO-IKGGRYGDSA-N	1	0	355.442	1.090	20	30		FDEDRO
C[C@H]1CN(C(=O)COc2cccc(C#N)c2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000764067217	903363133	/nfs/dbraw/zinc/36/31/33/903363133.db2.gz	GUUVIRVENINNBP-LPHOPBHVSA-N	1	0	356.470	1.421	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc4ccccn4c3=O)[C@@H]2C1	ZINC001084458287	914724230	/nfs/dbraw/zinc/72/42/30/914724230.db2.gz	FGOOYMMZVUDMJD-NVXWUHKLSA-N	1	0	352.438	1.807	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1CN(C(=O)C2(C[NH+](C)C)CC2)C1	ZINC001079854989	903518828	/nfs/dbraw/zinc/51/88/28/903518828.db2.gz	JZUTVNUNEFBWTJ-IRXDYDNUSA-N	1	0	363.502	1.369	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1cc2n(n1)CCO2	ZINC001079859166	903542028	/nfs/dbraw/zinc/54/20/28/903542028.db2.gz	JWUABPWSVKTBMQ-CXAGYDPISA-N	1	0	351.410	1.397	20	30		FDEDRO
CC1(C)CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@@H]1[NH2+]Cc1ccccc1C#N	ZINC000996303870	903651798	/nfs/dbraw/zinc/65/17/98/903651798.db2.gz	ITFMXEBIATWKDY-VKJFTORMSA-N	1	0	368.481	1.786	20	30		FDEDRO
C=CCCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)nn2)C1	ZINC001107188526	903753345	/nfs/dbraw/zinc/75/33/45/903753345.db2.gz	XCYDBXRFCHUKHR-JCGIZDLHSA-N	1	0	359.474	1.532	20	30		FDEDRO
C=CC[NH2+][C@H]1CN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1(C)C	ZINC000996403313	903860612	/nfs/dbraw/zinc/86/06/12/903860612.db2.gz	VKPIUYXLVANTOH-XYJFISCASA-N	1	0	356.470	1.614	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cnn(CCF)c1	ZINC001080014672	903902187	/nfs/dbraw/zinc/90/21/87/903902187.db2.gz	FIUGXCITMHNDOU-RDTXWAMCSA-N	1	0	355.417	1.975	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(Cl)o3)CCC[C@@H]12	ZINC001107278944	904272250	/nfs/dbraw/zinc/27/22/50/904272250.db2.gz	GJOYAJBOOTYHQY-RDTXWAMCSA-N	1	0	363.845	1.657	20	30		FDEDRO
Cn1cc(CC[N@@H+]2CC[C@@]3(CNC(=O)CSCC#N)CCC[C@@H]23)cn1	ZINC001107290823	904308642	/nfs/dbraw/zinc/30/86/42/904308642.db2.gz	BFFVGWZOKGMATJ-SJLPKXTDSA-N	1	0	361.515	1.580	20	30		FDEDRO
Cc1ncc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)s1	ZINC001107307177	904401602	/nfs/dbraw/zinc/40/16/02/904401602.db2.gz	NOLNRXWMGGGQEY-RHSMWYFYSA-N	1	0	361.471	1.066	20	30		FDEDRO
C=CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCCN1C(=O)CNC1=O)CC2	ZINC001107326787	904481976	/nfs/dbraw/zinc/48/19/76/904481976.db2.gz	GILFJRVOGSZZPD-DNVCBOLYSA-N	1	0	362.474	1.255	20	30		FDEDRO
C=CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@@H](O)COCCOC)CC2	ZINC001107327313	904485084	/nfs/dbraw/zinc/48/50/84/904485084.db2.gz	XVGPWYQSEDKSKB-ZHALLVOQSA-N	1	0	354.491	1.337	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)C#N)CCC[C@@H]12	ZINC001107328976	904491526	/nfs/dbraw/zinc/49/15/26/904491526.db2.gz	CZRVLFLLTPDKTH-GPMSIDNRSA-N	1	0	359.474	1.269	20	30		FDEDRO
CC1(C)C(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)C1(C)C	ZINC001107347159	904541378	/nfs/dbraw/zinc/54/13/78/904541378.db2.gz	AIKMMTRHJJFFQH-JLTOFOAXSA-N	1	0	360.502	1.669	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCOC3)CCC[C@@H]12	ZINC001107359680	904584268	/nfs/dbraw/zinc/58/42/68/904584268.db2.gz	MPGRMHMLOALRTH-MBOZVWFJSA-N	1	0	363.502	1.466	20	30		FDEDRO
CCOCCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C#CC(C)C)CCC[C@@H]12	ZINC001107394494	904697920	/nfs/dbraw/zinc/69/79/20/904697920.db2.gz	ZQYWKMVDXAPVGC-YLJYHZDGSA-N	1	0	363.502	1.159	20	30		FDEDRO
CO[C@@H]1CN(Cc2cnn(C(C)(C)C)c2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC001081507136	904718130	/nfs/dbraw/zinc/71/81/30/904718130.db2.gz	GZMVWJVOXXJBGG-IAGOWNOFSA-N	1	0	370.457	1.467	20	30		FDEDRO
C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H]1CCc3ncnn31)CC2	ZINC001107401255	904777805	/nfs/dbraw/zinc/77/78/05/904777805.db2.gz	DWPJZFBWXOFONF-MBOZVWFJSA-N	1	0	371.485	1.166	20	30		FDEDRO
C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccn(CC)n1)CC2	ZINC001107401781	904782355	/nfs/dbraw/zinc/78/23/55/904782355.db2.gz	CCDXTVSSSVILMC-YVWKXTFCSA-N	1	0	358.486	1.802	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCCc2ccccc2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC001081540788	904798727	/nfs/dbraw/zinc/79/87/27/904798727.db2.gz	SCWVNGSBCNPUEK-RTBURBONSA-N	1	0	352.438	1.948	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2CC[C@@]3(CNC(=O)Cn4ncnn4)CCC[C@@H]23)c1	ZINC001107411743	904808676	/nfs/dbraw/zinc/80/86/76/904808676.db2.gz	CFMAVHWSGMQIIQ-IEBWSBKVSA-N	1	0	365.441	1.106	20	30		FDEDRO
C=C(C)[C@H](CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(C)C)CC2)OCC	ZINC001107425644	904840038	/nfs/dbraw/zinc/84/00/38/904840038.db2.gz	HQWKTYASTODHCW-SQGPQFPESA-N	1	0	365.518	1.807	20	30		FDEDRO
C=CC(C)(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(=O)NC)CC2	ZINC001107420934	904868295	/nfs/dbraw/zinc/86/82/95/904868295.db2.gz	PYRQQSRLVZJSRO-AUUYWEPGSA-N	1	0	364.490	1.405	20	30		FDEDRO
C#CCC1(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2nc(=O)n(C)[nH]2)CC3)CCC1	ZINC001107433052	904887471	/nfs/dbraw/zinc/88/74/71/904887471.db2.gz	LMJWIBGQHKBLLZ-FOIQADDNSA-N	1	0	371.485	1.163	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CCC([NH2+]Cc3cccc(C#N)c3)CC2)O1	ZINC000996710930	904887998	/nfs/dbraw/zinc/88/79/98/904887998.db2.gz	HLVKJUVJFHWVBH-DNVCBOLYSA-N	1	0	356.470	1.358	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnn4ccncc34)CCC[C@@H]12	ZINC001107436795	904906046	/nfs/dbraw/zinc/90/60/46/904906046.db2.gz	QDIXPJSEILTZEW-UYAOXDASSA-N	1	0	367.453	1.354	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC3(F)F)CCC[C@@H]12	ZINC001107446853	904963775	/nfs/dbraw/zinc/96/37/75/904963775.db2.gz	WDLSFOGRKQMBIT-JJRVBVJISA-N	1	0	355.429	1.695	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3[nH]c(C)cc3C)CCC[C@@H]12	ZINC001107451542	904988625	/nfs/dbraw/zinc/98/86/25/904988625.db2.gz	WPFQASBORAQIDE-OXQOHEQNSA-N	1	0	356.470	1.355	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3C(C)(C)C)CCC[C@@H]12	ZINC001107466815	905045371	/nfs/dbraw/zinc/04/53/71/905045371.db2.gz	BYKVMIRJMQYULS-BZLDKRAPSA-N	1	0	359.514	1.779	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3cn4cccnc4n3)CCC[C@@H]12	ZINC001107462124	905066268	/nfs/dbraw/zinc/06/62/68/905066268.db2.gz	UMFQJDKWAUNLCL-YLJYHZDGSA-N	1	0	369.469	1.906	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)COCc3nnc(C)s3)CCC[C@@H]12	ZINC001107464441	905073291	/nfs/dbraw/zinc/07/32/91/905073291.db2.gz	RZOALPYVIGPJMC-CRAIPNDOSA-N	1	0	362.499	1.747	20	30		FDEDRO
C[C@H](CC(F)F)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107478130	905148862	/nfs/dbraw/zinc/14/88/62/905148862.db2.gz	HLWQRYJTBRTTJR-PBFPGSCMSA-N	1	0	356.417	1.278	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CCC)S(N)(=O)=O)CCC[C@@H]12	ZINC001107484966	905157574	/nfs/dbraw/zinc/15/75/74/905157574.db2.gz	CQJVUSJEIMOWOJ-JFIYKMOQSA-N	1	0	371.547	1.771	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC3(C)C)CCC[C@@H]12	ZINC001107500707	905241084	/nfs/dbraw/zinc/24/10/84/905241084.db2.gz	OZVBMCCRPUQVOW-CBGDNZLLSA-N	1	0	359.514	1.923	20	30		FDEDRO
C=CC(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCNS(C)(=O)=O)CC2	ZINC001107503370	905259187	/nfs/dbraw/zinc/25/91/87/905259187.db2.gz	YKNQYJOFKJLLIY-RHSMWYFYSA-N	1	0	357.520	1.109	20	30		FDEDRO
CCCCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CNC(=O)N3)CCC[C@@H]12	ZINC001107522595	905300845	/nfs/dbraw/zinc/30/08/45/905300845.db2.gz	JQFOMMSZAIBERH-GPMSIDNRSA-N	1	0	350.507	1.999	20	30		FDEDRO
C#CCCN1CC[NH+](C2CCC(NC(=O)[C@H]3OCC[C@H]3CC)CC2)CC1	ZINC000996776939	905304933	/nfs/dbraw/zinc/30/49/33/905304933.db2.gz	RDSAFASRBKNFEA-OAHAVBBTSA-N	1	0	361.530	1.870	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCc4nn[nH]c43)CCC[C@@H]12	ZINC001107521163	905347543	/nfs/dbraw/zinc/34/75/43/905347543.db2.gz	PLWZEWFYRGARFX-WRWLIDTKSA-N	1	0	371.485	1.235	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)c3ccc(F)cc3)C[C@H]2C)c1	ZINC001080410542	905376898	/nfs/dbraw/zinc/37/68/98/905376898.db2.gz	GXICYUNVHICUPM-JSNMRZPZSA-N	1	0	367.424	1.986	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1cccc(=O)n1C	ZINC001080415221	905385967	/nfs/dbraw/zinc/38/59/67/905385967.db2.gz	GBDORIDNEAZNFA-RHSMWYFYSA-N	1	0	350.422	1.507	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C(=O)c3ccccc3)CCC[C@@H]12	ZINC001107528474	905391106	/nfs/dbraw/zinc/39/11/06/905391106.db2.gz	XDXLYNXNBOTHBM-WIYYLYMNSA-N	1	0	353.466	1.753	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3(CC=C)CCC3)CCC[C@@H]12	ZINC001107536795	905429473	/nfs/dbraw/zinc/42/94/73/905429473.db2.gz	BQMWHIDOVIWBCJ-DYESRHJHSA-N	1	0	357.498	1.843	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC(C)(C)C3)CCC[C@@H]12	ZINC001107537068	905431128	/nfs/dbraw/zinc/43/11/28/905431128.db2.gz	PKIPPRJPPKGHPH-CSODHUTKSA-N	1	0	359.514	1.923	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC=C)CC3)c1	ZINC001107537803	905434145	/nfs/dbraw/zinc/43/41/45/905434145.db2.gz	AZUFDYKQCFGBQC-WIYYLYMNSA-N	1	0	366.465	1.340	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](CC(C)C)OC)CCC[C@@H]12	ZINC001107538308	905435858	/nfs/dbraw/zinc/43/58/58/905435858.db2.gz	LNAZQEWJJMRQPT-SQGPQFPESA-N	1	0	363.502	1.158	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3occc3C)CCC[C@@H]12	ZINC001107543702	905471011	/nfs/dbraw/zinc/47/10/11/905471011.db2.gz	UNBNBLWDZBBMCG-YLJYHZDGSA-N	1	0	359.470	1.794	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3cccnc3C)CCC[C@@H]12	ZINC001107546992	905523841	/nfs/dbraw/zinc/52/38/41/905523841.db2.gz	WPGRTWGZNCZOBS-WIYYLYMNSA-N	1	0	370.497	1.596	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3Cc4ccncc4C3)CCC[C@@H]12	ZINC001107547514	905532473	/nfs/dbraw/zinc/53/24/73/905532473.db2.gz	PWVOUBOALISJPY-CZTZKLFOSA-N	1	0	367.493	1.807	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCc3cnn(CC)c3)C[C@H]2OC)cc1	ZINC001082012816	905555546	/nfs/dbraw/zinc/55/55/46/905555546.db2.gz	KUIZEWAWXQBOGF-WOJBJXKFSA-N	1	0	366.465	1.556	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN(C(C)(C)C)C2=O)[C@H](OC)C1	ZINC001082050253	905619782	/nfs/dbraw/zinc/61/97/82/905619782.db2.gz	QGHBMJCECDJQGG-BZUAXINKSA-N	1	0	351.491	1.415	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)Cn3cc(Cl)cn3)CCC[C@@H]12	ZINC001107560435	905630608	/nfs/dbraw/zinc/63/06/08/905630608.db2.gz	OMVXJCXEZOCHAG-SJLPKXTDSA-N	1	0	364.877	1.547	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc(C4CC4)nc3)CCC[C@@H]12	ZINC001107569428	905689704	/nfs/dbraw/zinc/68/97/04/905689704.db2.gz	AAKTVSDUTNBQED-WIYYLYMNSA-N	1	0	368.481	1.978	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)CNC(=O)c1ccc2c(c1)OCO2	ZINC000764792728	905697463	/nfs/dbraw/zinc/69/74/63/905697463.db2.gz	WCKOARXVBZNKJZ-AWEZNQCLSA-N	1	0	360.410	1.422	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCOCC)CC3)nn1	ZINC001107572769	905709684	/nfs/dbraw/zinc/70/96/84/905709684.db2.gz	RTCXIMONDVSHCC-IEBWSBKVSA-N	1	0	361.490	1.865	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C1	ZINC001080574449	905724900	/nfs/dbraw/zinc/72/49/00/905724900.db2.gz	CWDQTNVKKFNCJV-IKGGRYGDSA-N	1	0	369.481	1.317	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2C)cc1	ZINC001080575384	905727904	/nfs/dbraw/zinc/72/79/04/905727904.db2.gz	SHQBOSDAVFAORI-CRAIPNDOSA-N	1	0	353.426	1.040	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2cnn(CC)c2)C[C@H]1C	ZINC001080599174	905817157	/nfs/dbraw/zinc/81/71/57/905817157.db2.gz	TUMWESHWNAYNHW-LULLPPNCSA-N	1	0	360.502	1.863	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)S(=O)(=O)CC)CCC[C@@H]12	ZINC001107595578	905848708	/nfs/dbraw/zinc/84/87/08/905848708.db2.gz	GFWPALZJDYJMDT-SJLPKXTDSA-N	1	0	371.547	1.595	20	30		FDEDRO
CCCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)nn1	ZINC001080684141	905955723	/nfs/dbraw/zinc/95/57/23/905955723.db2.gz	MQLOCUCXICVTPO-RHSMWYFYSA-N	1	0	352.442	1.810	20	30		FDEDRO
CN(C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CC#Cc3ccccc3)CCC[C@@H]12	ZINC001107640815	906201719	/nfs/dbraw/zinc/20/17/19/906201719.db2.gz	LEFGINGISBCFMK-DENIHFKCSA-N	1	0	367.493	1.877	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CCCC3CCOCC3)C[C@H]2O)c1	ZINC001077648325	906206136	/nfs/dbraw/zinc/20/61/36/906206136.db2.gz	DVNYRFLWQONSAX-RTBURBONSA-N	1	0	357.454	1.045	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCc3ccc(OC)cc3)C[C@H]2O)c1	ZINC001077649871	906225948	/nfs/dbraw/zinc/22/59/48/906225948.db2.gz	IOIVDDABERGXFN-WOJBJXKFSA-N	1	0	365.433	1.089	20	30		FDEDRO
C[C@@H]1CN(Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001080781085	906250380	/nfs/dbraw/zinc/25/03/80/906250380.db2.gz	NENWCVYYYHTRSW-SIXWZSSISA-N	1	0	358.461	1.976	20	30		FDEDRO
COc1ccc(C#N)cc1CN1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1	ZINC001080781171	906253195	/nfs/dbraw/zinc/25/31/95/906253195.db2.gz	QJGILKZXGDOGHC-SZVBFZGTSA-N	1	0	370.497	1.845	20	30		FDEDRO
C=CCCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC1CC1)CC2	ZINC001107649115	906280653	/nfs/dbraw/zinc/28/06/53/906280653.db2.gz	HCEDNKYXPBRJKA-YLJYHZDGSA-N	1	0	363.502	1.466	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](CC)OC)C[C@H]2OC)cc1	ZINC001082211995	906293148	/nfs/dbraw/zinc/29/31/48/906293148.db2.gz	SAIVUCBRPMNNPD-BHIYHBOVSA-N	1	0	360.454	1.553	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCn3nc(C)nc3C)C[C@H]2C)cn1	ZINC001080809378	906310697	/nfs/dbraw/zinc/31/06/97/906310697.db2.gz	OUHWGSMHIOBYJQ-FZKQIMNGSA-N	1	0	352.442	1.022	20	30		FDEDRO
C[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2	ZINC001080787690	906313670	/nfs/dbraw/zinc/31/36/70/906313670.db2.gz	NZBJEBKWDIWMDA-RDTXWAMCSA-N	1	0	356.445	1.730	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)c3ccc(F)cc3)C[C@H]2C)cn1	ZINC001080810614	906363378	/nfs/dbraw/zinc/36/33/78/906363378.db2.gz	VDILCCWZDLAIQS-XMCHAPAWSA-N	1	0	367.424	1.986	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCN(c2cccc(CNC(=O)[C@]34C[C@H]3COC4)n2)C1	ZINC001127833034	906479416	/nfs/dbraw/zinc/47/94/16/906479416.db2.gz	WFYXORFKWZCYFE-CDXJDZJCSA-N	1	0	370.497	1.869	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCCN1C(=O)CCC[NH+](C)C	ZINC001082258713	906500972	/nfs/dbraw/zinc/50/09/72/906500972.db2.gz	CXPUXDXVURZDOP-LNLFQRSKSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cccc(-n3cncn3)n2)[C@H](OC)C1	ZINC001082279196	906601120	/nfs/dbraw/zinc/60/11/20/906601120.db2.gz	QRJNVDCCWCLLNG-HZPDHXFCSA-N	1	0	356.430	1.058	20	30		FDEDRO
C=CCCCC(=O)NC1(CO)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001080974733	906827821	/nfs/dbraw/zinc/82/78/21/906827821.db2.gz	IAGWNHGJNLJCIQ-HZPDHXFCSA-N	1	0	351.491	1.153	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)NC1(CO)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001080956197	906867064	/nfs/dbraw/zinc/86/70/64/906867064.db2.gz	NFNSSVKLJBRQCS-IXDOHACOSA-N	1	0	365.518	1.399	20	30		FDEDRO
CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C	ZINC001081009110	906932426	/nfs/dbraw/zinc/93/24/26/906932426.db2.gz	RUAVVKKIIQDNFD-NIKGAXFTSA-N	1	0	354.454	1.506	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOc2cc(C)cc(C)c2)C[C@H]1O	ZINC001077699015	906969028	/nfs/dbraw/zinc/96/90/28/906969028.db2.gz	LVDLRZSQFKRGPB-WTGUMLROSA-N	1	0	374.481	1.435	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3cc(C)ncn3)C[C@H]2C)CC1	ZINC001080997380	906969979	/nfs/dbraw/zinc/96/99/79/906969979.db2.gz	AYRKLRBPISSTFQ-DNVCBOLYSA-N	1	0	355.486	1.067	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc4n(c3)CCCC4)C2)C1=O	ZINC001081068065	907088865	/nfs/dbraw/zinc/08/88/65/907088865.db2.gz	DEHZGHCJZHCVDO-ATZDWAIDSA-N	1	0	370.497	1.661	20	30		FDEDRO
Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2c2ccccc2)nn1C	ZINC001081098777	907163339	/nfs/dbraw/zinc/16/33/39/907163339.db2.gz	LVFJWKOUQHFESG-MDASCCDHSA-N	1	0	351.454	1.972	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)N2CCCC2)C1	ZINC001081114914	907214435	/nfs/dbraw/zinc/21/44/35/907214435.db2.gz	MXUYLWNZOSZTQK-VQTJNVASSA-N	1	0	365.477	1.606	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn(CCOC)nn2)C[C@H]1c1ccccc1	ZINC001081115132	907215964	/nfs/dbraw/zinc/21/59/64/907215964.db2.gz	SGKDIEOMNLPMRH-DLBZAZTESA-N	1	0	355.442	1.308	20	30		FDEDRO
CN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2c2ccccc2)C1=O	ZINC001081115343	907216169	/nfs/dbraw/zinc/21/61/69/907216169.db2.gz	XYMJFCWLFYRZFI-IPMKNSEASA-N	1	0	351.450	1.215	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+][C@H](C)C(N)=O)C2)cc1	ZINC001081156420	907272370	/nfs/dbraw/zinc/27/23/70/907272370.db2.gz	JBWNPZXPMHVRHW-UIAACRFSSA-N	1	0	361.445	1.740	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccnc3c2nnn3C)C[C@H]1c1ccccc1	ZINC001081170938	907293232	/nfs/dbraw/zinc/29/32/32/907293232.db2.gz	WFXLOZPDIQULDL-DLBZAZTESA-N	1	0	360.421	1.194	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@H]2c2ccccc2)s1	ZINC001081171764	907297842	/nfs/dbraw/zinc/29/78/42/907297842.db2.gz	PWVBMXGOGHNABF-JKSUJKDBSA-N	1	0	354.435	1.189	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](Cn2cccn2)N(C)C)C[C@H]1c1ccccc1	ZINC001081125860	907307181	/nfs/dbraw/zinc/30/71/81/907307181.db2.gz	UCGCOYQYXWHEFN-XUVXKRRUSA-N	1	0	365.481	1.031	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(C)c[nH]c2CC(N)=O)C[C@H]1c1ccccc1	ZINC001081185123	907359045	/nfs/dbraw/zinc/35/90/45/907359045.db2.gz	NUNOMGIDTDNUET-FUHWJXTLSA-N	1	0	364.449	1.182	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(CC)n2)C[C@H]1c1ccccc1	ZINC001081198610	907382231	/nfs/dbraw/zinc/38/22/31/907382231.db2.gz	OGDADPNCEQCCOK-FUHWJXTLSA-N	1	0	352.438	1.647	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1OC	ZINC001082384613	907390617	/nfs/dbraw/zinc/39/06/17/907390617.db2.gz	FFXXOVNHFBFCJL-HSALFYBXSA-N	1	0	370.497	1.748	20	30		FDEDRO
C=CCC[NH2+]Cc1ccncc1O[C@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1	ZINC001127888920	907497186	/nfs/dbraw/zinc/49/71/86/907497186.db2.gz	ZGTIUISCQMSNPA-ZWOKBUDYSA-N	1	0	357.454	1.764	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2cnccn2)C[C@H]1C	ZINC001082411965	907625658	/nfs/dbraw/zinc/62/56/58/907625658.db2.gz	OVNNDMNRHWKCER-CXAGYDPISA-N	1	0	351.410	1.607	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082426181	907668198	/nfs/dbraw/zinc/66/81/98/907668198.db2.gz	ZSLNBGCADDDODE-CXAGYDPISA-N	1	0	356.405	1.316	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1ncccc1C	ZINC001081498357	907692889	/nfs/dbraw/zinc/69/28/89/907692889.db2.gz	ZBOYJFINAZIWJT-QZTJIDSGSA-N	1	0	350.422	1.891	20	30		FDEDRO
Cc1nn(C)cc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC001082451634	907731552	/nfs/dbraw/zinc/73/15/52/907731552.db2.gz	NTUFFOWXDFLGOU-KZULUSFZSA-N	1	0	355.417	1.990	20	30		FDEDRO
Cc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)nnn1C	ZINC001082456959	907857828	/nfs/dbraw/zinc/85/78/28/907857828.db2.gz	VZIGDSILFKFXLF-BDJLRTHQSA-N	1	0	356.405	1.385	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1[NH2+]CC(=O)N1CCCCCC1	ZINC001082464501	907898873	/nfs/dbraw/zinc/89/88/73/907898873.db2.gz	QSYOKFNLDWBLMM-RHSMWYFYSA-N	1	0	357.458	1.339	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2nnc[nH]2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082465762	907902718	/nfs/dbraw/zinc/90/27/18/907902718.db2.gz	UCHDESACOZZWCT-MLGOLLRUSA-N	1	0	356.405	1.385	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]Cc1cn(C)nc1C(F)F	ZINC001082480071	907947388	/nfs/dbraw/zinc/94/73/88/907947388.db2.gz	DFRRPKNJYQSGBY-QMTHXVAHSA-N	1	0	362.384	1.808	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C)C(=O)N1CCC(C)CC1	ZINC001082482127	907958276	/nfs/dbraw/zinc/95/82/76/907958276.db2.gz	STDVQPGKYREVRU-RVKKMQEKSA-N	1	0	371.485	1.583	20	30		FDEDRO
CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)C1	ZINC001082489893	907995310	/nfs/dbraw/zinc/99/53/10/907995310.db2.gz	PLPNQAKFABQUES-KZULUSFZSA-N	1	0	358.417	1.112	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cncnc2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082491567	908005725	/nfs/dbraw/zinc/00/57/25/908005725.db2.gz	UKRWVYQYWNVUCL-FZKQIMNGSA-N	1	0	353.401	1.667	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cncnc2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082491627	908006442	/nfs/dbraw/zinc/00/64/42/908006442.db2.gz	ZBQWDKDVCSDVOS-DNVCBOLYSA-N	1	0	365.437	1.558	20	30		FDEDRO
CCn1ncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)n1	ZINC001082500768	908089723	/nfs/dbraw/zinc/08/97/23/908089723.db2.gz	TZBMGFKCBKBBLH-SJKOYZFVSA-N	1	0	356.405	1.559	20	30		FDEDRO
C[C@@H]1CN(C(=O)CO[C@@H]2CCOC2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082508235	908154665	/nfs/dbraw/zinc/15/46/65/908154665.db2.gz	VMZXLFCVOWCPHI-MZMPZRCHSA-N	1	0	361.417	1.439	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1C	ZINC001082518662	908204602	/nfs/dbraw/zinc/20/46/02/908204602.db2.gz	XQOHPQNKJDPDNB-FPQZTECRSA-N	1	0	358.280	1.246	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2c(C)nnn2CC)C1	ZINC001082518902	908206825	/nfs/dbraw/zinc/20/68/25/908206825.db2.gz	JALKQXQGFGDKBR-IIVZCXTMSA-N	1	0	361.490	1.524	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@H]2C=CCC2)CC1	ZINC000997358083	908314424	/nfs/dbraw/zinc/31/44/24/908314424.db2.gz	VUEKJWXYCGSQEL-RNQOJCNYSA-N	1	0	369.509	1.936	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC2(F)F)CC1	ZINC000997357527	908326535	/nfs/dbraw/zinc/32/65/35/908326535.db2.gz	LVLMLEDSTNRXTE-UGUYLWEFSA-N	1	0	365.424	1.235	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(C#N)c1	ZINC000997362283	908335221	/nfs/dbraw/zinc/33/52/21/908335221.db2.gz	GMDYLDZFJSDIKT-OWSLCNJRSA-N	1	0	369.469	1.622	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc([C@H]3CCCO3)s2)C1	ZINC001077802706	908347542	/nfs/dbraw/zinc/34/75/42/908347542.db2.gz	VIYZKSJMHGQMOJ-MGPQQGTHSA-N	1	0	351.472	1.736	20	30		FDEDRO
C[C@@H]([NH2+]CCCCC#N)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1	ZINC000765730780	908372255	/nfs/dbraw/zinc/37/22/55/908372255.db2.gz	NYYIFSDBIYTHQB-CYBMUJFWSA-N	1	0	373.500	1.757	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc(C4CC4)nn3C)C[C@H]2C)C1=O	ZINC001082540488	908385761	/nfs/dbraw/zinc/38/57/61/908385761.db2.gz	PRDDWWXJMMDHDG-UKPHBRMFSA-N	1	0	371.485	1.135	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@]1(C)C[N@H+](CC2CCOCC2)CCO1	ZINC001107952537	908392867	/nfs/dbraw/zinc/39/28/67/908392867.db2.gz	GASWVGVUSBDQFP-HBFSDRIKSA-N	1	0	366.502	1.601	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)CCn2ccccc2=O)C[C@H]1C	ZINC001082543006	908420079	/nfs/dbraw/zinc/42/00/79/908420079.db2.gz	DILXHMSSYMDSHU-TZMCWYRMSA-N	1	0	368.275	1.584	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2cccc(OCCCOC)c2)CC1	ZINC000921594926	908549250	/nfs/dbraw/zinc/54/92/50/908549250.db2.gz	HUQBFHLDYIKROT-UHFFFAOYSA-N	1	0	359.470	1.999	20	30		FDEDRO
CC(C)N1C[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)CC1=O	ZINC001082541196	908563837	/nfs/dbraw/zinc/56/38/37/908563837.db2.gz	MXGHBEHXQROOBA-ATZDWAIDSA-N	1	0	368.481	1.752	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cccc(CC)n3)C[C@H]2C)C1=O	ZINC001082563662	908655039	/nfs/dbraw/zinc/65/50/39/908655039.db2.gz	PLOANGBEYOGGQU-FHLIZLRMSA-N	1	0	356.470	1.481	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccn4c3CCCC4)C[C@H]2C)C1=O	ZINC001082566355	908688498	/nfs/dbraw/zinc/68/84/98/908688498.db2.gz	KJGGSWOFSCOKFV-BPQIPLTHSA-N	1	0	370.497	1.661	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2c(C)nsc2C)C1	ZINC001082567789	908702496	/nfs/dbraw/zinc/70/24/96/908702496.db2.gz	BBQJXKNDVXTBCF-XWIAVFTESA-N	1	0	360.527	1.794	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2c(C)onc2CC)C1	ZINC001082568115	908707474	/nfs/dbraw/zinc/70/74/74/908707474.db2.gz	YMZUDDROJHLHDZ-ZMYBRWDISA-N	1	0	358.486	1.580	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2nc(C)cc2C)C1	ZINC001082568895	908714859	/nfs/dbraw/zinc/71/48/59/908714859.db2.gz	XIEIJSOIRSEBBB-LZQZEXGQSA-N	1	0	357.502	1.034	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)CC1	ZINC001060849188	908870266	/nfs/dbraw/zinc/87/02/66/908870266.db2.gz	PITXHVACROOORH-DZVNLGKHSA-N	1	0	365.518	1.709	20	30		FDEDRO
CCN1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)s2)C1	ZINC001082607996	908982824	/nfs/dbraw/zinc/98/28/24/908982824.db2.gz	AZRSJQNBXXAMJC-KBRIMQKVSA-N	1	0	362.499	1.277	20	30		FDEDRO
C[N@H+](Cc1ccccc1)C1(CNS(=O)(=O)CCCC#N)CCOCC1	ZINC000921632756	909027059	/nfs/dbraw/zinc/02/70/59/909027059.db2.gz	QAJYFXKEMZNUMN-UHFFFAOYSA-N	1	0	365.499	1.891	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082615083	909054306	/nfs/dbraw/zinc/05/43/06/909054306.db2.gz	DNKGFSJKAMBWHT-FZKQIMNGSA-N	1	0	368.412	1.646	20	30		FDEDRO
CC(=O)N1CCC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)C1	ZINC001082627493	909153432	/nfs/dbraw/zinc/15/34/32/909153432.db2.gz	NQIJQLWCVOUEDP-UIAACRFSSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCc4ccccc43)C[C@H]2O)nn1	ZINC001077812998	909301537	/nfs/dbraw/zinc/30/15/37/909301537.db2.gz	XAAROGQIDWNZMN-BHIYHBOVSA-N	1	0	367.453	1.317	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccc(=O)[nH]c2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082648572	909332588	/nfs/dbraw/zinc/33/25/88/909332588.db2.gz	HTBUIMAJKUECGT-FZKQIMNGSA-N	1	0	368.412	1.977	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082652772	909364118	/nfs/dbraw/zinc/36/41/18/909364118.db2.gz	VMMWSOYRKNIDPS-MLGOLLRUSA-N	1	0	369.400	1.041	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCNC(=O)CC2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082665548	909453093	/nfs/dbraw/zinc/45/30/93/909453093.db2.gz	RUXPTKPUWJUYII-ZTFGCOKTSA-N	1	0	354.454	1.411	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc(NC(C)=O)cn2)[C@H](OC)C1	ZINC001212377335	909498144	/nfs/dbraw/zinc/49/81/44/909498144.db2.gz	GXOXIWOMVHUHBF-MORSLUCNSA-N	1	0	360.458	1.824	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)C1	ZINC001082681887	909600773	/nfs/dbraw/zinc/60/07/73/909600773.db2.gz	ACNLEKMWZFWTHL-BZUAXINKSA-N	1	0	371.547	1.307	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccc(C#N)cc2)CC1	ZINC000997830891	909789330	/nfs/dbraw/zinc/78/93/30/909789330.db2.gz	DGCNPLONFYYLCU-KXBFYZLASA-N	1	0	357.454	1.690	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCO[C@H](C)C3)C2)CC1	ZINC001082722214	909829666	/nfs/dbraw/zinc/82/96/66/909829666.db2.gz	FJLWDBVNYITMJZ-JFIYKMOQSA-N	1	0	363.502	1.417	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082725293	909843683	/nfs/dbraw/zinc/84/36/83/909843683.db2.gz	VYQFLEQHRHMCSR-FXHACXQTSA-N	1	0	358.417	1.303	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccnc(N(C)C)c3)C2)c1	ZINC001082730103	909862987	/nfs/dbraw/zinc/86/29/87/909862987.db2.gz	AKMJCZTUEFNLRB-DNVCBOLYSA-N	1	0	363.465	1.774	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCCC(=O)N2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082734716	909902093	/nfs/dbraw/zinc/90/20/93/909902093.db2.gz	VLDDPXYEKRMDNU-FHLIZLRMSA-N	1	0	354.454	1.554	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082745129	909969146	/nfs/dbraw/zinc/96/91/46/909969146.db2.gz	CMNRRVWABTVFHP-RDTXWAMCSA-N	1	0	352.442	1.256	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082746341	909977693	/nfs/dbraw/zinc/97/76/93/909977693.db2.gz	ZRVXDSFTJMBPDB-GMLZMKKNSA-N	1	0	372.444	1.358	20	30		FDEDRO
C[NH+]=C(NCC(=O)NC1CCCCC1)N1CCN(c2ccccn2)CC1	ZINC000073478959	910000976	/nfs/dbraw/zinc/00/09/76/910000976.db2.gz	FBHWUUQMQXIOIW-UHFFFAOYSA-N	1	0	358.490	1.228	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1C	ZINC001082767458	910065938	/nfs/dbraw/zinc/06/59/38/910065938.db2.gz	WLQNMBRSSMQUPH-CXAGYDPISA-N	1	0	353.426	1.469	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082779508	910129071	/nfs/dbraw/zinc/12/90/71/910129071.db2.gz	FOVGDUAQFPNZKT-CZUORRHYSA-N	1	0	363.483	1.318	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C)C2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082787662	910166738	/nfs/dbraw/zinc/16/67/38/910166738.db2.gz	BYRQJLUVYYEVKP-FRQCXROJSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cncc(C)c3)C2)nn1	ZINC001082796214	910184755	/nfs/dbraw/zinc/18/47/55/910184755.db2.gz	WVIWYWCRSYOGIF-NVXWUHKLSA-N	1	0	354.458	1.808	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnc3cccnn32)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082790029	910188497	/nfs/dbraw/zinc/18/84/97/910188497.db2.gz	JDZHLEMQGCGXMD-RHSMWYFYSA-N	1	0	360.421	1.851	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cc(-c3ccn(C)c3)n[nH]2)[C@H](OC)C1	ZINC001212387531	910196512	/nfs/dbraw/zinc/19/65/12/910196512.db2.gz	WVOLYCDHZKROGH-QZTJIDSGSA-N	1	0	357.458	1.810	20	30		FDEDRO
CC#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC000998115916	910389140	/nfs/dbraw/zinc/38/91/40/910389140.db2.gz	LQLIKCCWSCWMBH-OKZBNKHCSA-N	1	0	363.502	1.349	20	30		FDEDRO
CCN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000998125651	910407562	/nfs/dbraw/zinc/40/75/62/910407562.db2.gz	JTCBVEBGTTXSLK-OTWHNJEPSA-N	1	0	368.481	1.883	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cnns2)CC1	ZINC000998149644	910457058	/nfs/dbraw/zinc/45/70/58/910457058.db2.gz	XDZIUQTUEXBVBJ-HOTGVXAUSA-N	1	0	350.488	1.848	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[NH2+][C@H](C)c2nncn2C)CC1	ZINC000998149281	910472105	/nfs/dbraw/zinc/47/21/05/910472105.db2.gz	WKGXTKARNWSMGS-PVAVHDDUSA-N	1	0	361.490	1.686	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc(C)c(CC)o3)C[C@H]2C)C1=O	ZINC001082856377	910488066	/nfs/dbraw/zinc/48/80/66/910488066.db2.gz	FWLYWPNHEHNAFH-OWCLPIDISA-N	1	0	359.470	1.987	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@H]2CCCO2)C1	ZINC001082869007	910509794	/nfs/dbraw/zinc/50/97/94/910509794.db2.gz	JRGOXLQWAZVDPK-JFIYKMOQSA-N	1	0	357.454	1.713	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCC(=O)N2C)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082891469	910677432	/nfs/dbraw/zinc/67/74/32/910677432.db2.gz	JDYYPALAFZHXKY-WQVCFCJDSA-N	1	0	360.483	1.567	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2C)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082891599	910678959	/nfs/dbraw/zinc/67/89/59/910678959.db2.gz	OWYUQMYUOPMCFM-ZTFGCOKTSA-N	1	0	354.454	1.506	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082924555	910913221	/nfs/dbraw/zinc/91/32/21/910913221.db2.gz	ZPTAUTVXSLBDDC-PIGZYNQJSA-N	1	0	369.400	1.375	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccnc2C(N)=O)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082936264	910971698	/nfs/dbraw/zinc/97/16/98/910971698.db2.gz	WBOQUMDKPBHVBJ-CXAGYDPISA-N	1	0	363.421	1.302	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCc3nncn3C2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082939173	910999063	/nfs/dbraw/zinc/99/90/63/910999063.db2.gz	DXOJFHRJHXNCBQ-FHLIZLRMSA-N	1	0	364.453	1.349	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cnn(C)c2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082940121	911006480	/nfs/dbraw/zinc/00/64/80/911006480.db2.gz	FBJACWSXKXDRAC-CXAGYDPISA-N	1	0	357.483	1.923	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1)N1CCCCC1=O	ZINC001082938332	911024814	/nfs/dbraw/zinc/02/48/14/911024814.db2.gz	IWXWDSZLXCBPDL-JTDSTZFVSA-N	1	0	368.481	1.896	20	30		FDEDRO
CC(C)[N@@H+]1CCCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000727823951	911359910	/nfs/dbraw/zinc/35/99/10/911359910.db2.gz	OBZUIJAWINYOMK-UHFFFAOYSA-N	1	0	369.469	1.696	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C(C)C)[NH+](C)C)cn1	ZINC000998953258	911922665	/nfs/dbraw/zinc/92/26/65/911922665.db2.gz	CDXLINSNAODQJX-XWSJACJDSA-N	1	0	368.481	1.511	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@H+]2CC[C@@H](C)C2)cc1	ZINC000999071452	912025199	/nfs/dbraw/zinc/02/51/99/912025199.db2.gz	BMQLFGOFCABIHS-XCLNPWKQSA-N	1	0	365.477	1.871	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc([C@H]4CCOC4)c3)[C@H]2C1	ZINC001083126111	912095008	/nfs/dbraw/zinc/09/50/08/912095008.db2.gz	XTTNFKALWJTMDJ-SLFFLAALSA-N	1	0	354.450	1.739	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CCCCC4=O)[C@@H]3C2)cc1	ZINC001084480442	914909199	/nfs/dbraw/zinc/90/91/99/914909199.db2.gz	UQBNFSJAVSEKDR-RTBURBONSA-N	1	0	366.465	1.603	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3CC[N@@H+](CCc4cnn(CC)c4)C[C@H]32)c1	ZINC001084647979	915827216	/nfs/dbraw/zinc/82/72/16/915827216.db2.gz	PCBAJFWDOLVMKD-UYAOXDASSA-N	1	0	363.465	1.668	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(Cc4cccc(C#N)c4)C[C@H]32)C1	ZINC001084661978	915954551	/nfs/dbraw/zinc/95/45/51/915954551.db2.gz	QBFFTCBFQQPNKG-PWIZWCRZSA-N	1	0	352.482	1.933	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3CC[N@@H+](C[C@H](OC)C4CCC4)C[C@H]32)nn1	ZINC001084708809	916393620	/nfs/dbraw/zinc/39/36/20/916393620.db2.gz	VIDBQPDQEFXWML-NXHRZFHOSA-N	1	0	359.474	1.426	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@H]3CC[N@H+](CC4CCOCC4)C[C@H]32)nn1	ZINC001084713374	916450996	/nfs/dbraw/zinc/45/09/96/916450996.db2.gz	YWKZRHBGLNHNCS-SJLPKXTDSA-N	1	0	359.474	1.427	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCOC3)C[C@H]21	ZINC001084764879	916941317	/nfs/dbraw/zinc/94/13/17/916941317.db2.gz	AVZQGFNZDVJNQN-GVDBMIGSSA-N	1	0	357.454	1.829	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4nccs4)C[C@H]32)CC1	ZINC001084851043	917658842	/nfs/dbraw/zinc/65/88/42/917658842.db2.gz	KESXIEVZCSMAEP-IAGOWNOFSA-N	1	0	358.511	1.521	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)COc3cccc(C(N)=O)c3)[C@@H]2C1	ZINC001084849110	917683060	/nfs/dbraw/zinc/68/30/60/917683060.db2.gz	NUVBTSWEKBFPHX-SJLPKXTDSA-N	1	0	357.454	1.663	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1	ZINC000731123111	917734751	/nfs/dbraw/zinc/73/47/51/917734751.db2.gz	FNDQDHQARRCPCF-HZPDHXFCSA-N	1	0	373.453	1.253	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccnc(-n4cncn4)c3)[C@@H]2C1	ZINC001084866905	917821841	/nfs/dbraw/zinc/82/18/41/917821841.db2.gz	NQPKTHCUDNHHHY-IAGOWNOFSA-N	1	0	352.442	1.775	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ccncc4)C[C@@H]32)C1=O	ZINC001084880438	917960348	/nfs/dbraw/zinc/96/03/48/917960348.db2.gz	MKLYTTGUVQEPDS-JQHSSLGASA-N	1	0	354.454	1.405	20	30		FDEDRO
O=C(C1=COCCO1)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001084884170	917973876	/nfs/dbraw/zinc/97/38/76/917973876.db2.gz	GWJFPKAKZRFAMZ-MOPGFXCFSA-N	1	0	352.434	1.849	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCCC3=O)C[C@@H]21	ZINC001084886842	917979980	/nfs/dbraw/zinc/97/99/80/917979980.db2.gz	FQXZXYHAJRPRSH-APWZRJJASA-N	1	0	366.465	1.603	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cc(C)no4)C[C@@H]32)C1=O	ZINC001084888965	918008602	/nfs/dbraw/zinc/00/86/02/918008602.db2.gz	ZEXHLFNNOFJFCY-JYJNAYRXSA-N	1	0	358.442	1.306	20	30		FDEDRO
C=CCCCC(=O)NC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCO1	ZINC001065212510	918050573	/nfs/dbraw/zinc/05/05/73/918050573.db2.gz	OJPWGONJAYNJSP-IXDOHACOSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)CC(F)(F)F)C[C@@H]32)C1=O	ZINC001084900126	918153535	/nfs/dbraw/zinc/15/35/35/918153535.db2.gz	WAXKFZFIDAYMSJ-IHRRRGAJSA-N	1	0	359.392	1.649	20	30		FDEDRO
Fc1ccc(CNN=C2CC[NH+](CCN3CCOCC3)CC2)cc1F	ZINC000731558770	918198394	/nfs/dbraw/zinc/19/83/94/918198394.db2.gz	JFVHDPWODJZDGZ-UHFFFAOYSA-N	1	0	352.429	1.838	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)CCc4nnc[nH]4)C[C@@H]32)s1	ZINC001084915170	918282413	/nfs/dbraw/zinc/28/24/13/918282413.db2.gz	IAYOQVZJECRINC-CJNGLKHVSA-N	1	0	370.482	1.793	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3CC[N@@H+](CCO[C@@H]4CC4(F)F)[C@H]3C2)c1	ZINC001084915568	918287840	/nfs/dbraw/zinc/28/78/40/918287840.db2.gz	GUFIUDBIBUCGDJ-VNQPRFMTSA-N	1	0	364.396	1.847	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)C4C=CC=CC=C4)C[C@@H]32)C1=O	ZINC001084951046	918702332	/nfs/dbraw/zinc/70/23/32/918702332.db2.gz	VLOREULQZIUHHU-IHPCNDPISA-N	1	0	367.493	1.995	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(C(F)(F)F)nn3C)C[C@@H]21	ZINC001084948265	918711491	/nfs/dbraw/zinc/71/14/91/918711491.db2.gz	VHABJKDTMHMXIR-OCCSQVGLSA-N	1	0	354.376	1.999	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)C[C@@H]21	ZINC001084952196	918721598	/nfs/dbraw/zinc/72/15/98/918721598.db2.gz	CXIIZCCVFFXYIJ-KURKYZTESA-N	1	0	363.502	1.370	20	30		FDEDRO
COc1cc(C=NNC(=S)NCCC[NH+](C)C)cc(OC)c1OC	ZINC000731929487	918850969	/nfs/dbraw/zinc/85/09/69/918850969.db2.gz	XVHUTJAJHANGBV-UHFFFAOYSA-N	1	0	354.476	1.462	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3ocnc3C)[C@H]2C1	ZINC001084961035	918906849	/nfs/dbraw/zinc/90/68/49/918906849.db2.gz	HCILVUGOPKEQTK-SQNIBIBYSA-N	1	0	356.470	1.503	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)C4(C5CC5)CC4)C[C@@H]32)C1=O	ZINC001084966613	918916480	/nfs/dbraw/zinc/91/64/80/918916480.db2.gz	VTAOTNPKTOJONF-JQHSSLGASA-N	1	0	357.498	1.886	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)Cc4ccccc4)C[C@@H]32)C1=O	ZINC001084973656	919021078	/nfs/dbraw/zinc/02/10/78/919021078.db2.gz	NZDMGGJKGIQAIS-ZCNNSNEGSA-N	1	0	367.493	1.939	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cnc4ccc(OC)nn43)C[C@@H]21	ZINC001084974947	919047327	/nfs/dbraw/zinc/04/73/27/919047327.db2.gz	CFOBZHIEWDHENP-ZBFHGGJFSA-N	1	0	353.426	1.298	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnc4c(c3)NC(=O)CO4)C[C@@H]21	ZINC001084980950	919153805	/nfs/dbraw/zinc/15/38/05/919153805.db2.gz	NMFJJVGXWKONJZ-CJNGLKHVSA-N	1	0	356.426	1.525	20	30		FDEDRO
CN(CN1CC(=O)N(Cc2ccccc2C#N)C1=O)[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000732188712	919162597	/nfs/dbraw/zinc/16/25/97/919162597.db2.gz	LWDXABHSHRYZLW-GOSISDBHSA-N	1	0	367.453	1.448	20	30		FDEDRO
C[NH+](C)Cc1cccc(NC(=O)NCCNC(=O)C2N=CC=CC2=O)c1	ZINC000732234233	919285906	/nfs/dbraw/zinc/28/59/06/919285906.db2.gz	YJWZMHCAXKFLCT-MSUUIHNZSA-N	1	0	357.414	1.396	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3COCCN3CC(F)F)C[C@@H]21	ZINC001084998435	919388273	/nfs/dbraw/zinc/38/82/73/919388273.db2.gz	MBTCPRLSMQLXIA-IKGGRYGDSA-N	1	0	371.472	1.841	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn(C)nc3[C@H]3CCOC3)C[C@@H]21	ZINC001084999558	919410412	/nfs/dbraw/zinc/41/04/12/919410412.db2.gz	HEKTXAARBZLDAH-RYRKJORJSA-N	1	0	356.470	1.484	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CCNC4=O)C[C@@H]32)c1	ZINC001085005266	919505313	/nfs/dbraw/zinc/50/53/13/919505313.db2.gz	NPHDGKISWHPKMQ-KURKYZTESA-N	1	0	352.438	1.117	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)CCc3cn[nH]n3)C[C@@H]21	ZINC001085036827	919950775	/nfs/dbraw/zinc/95/07/75/919950775.db2.gz	NBVPCWIIJLGKDN-BEFAXECRSA-N	1	0	364.453	1.732	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4nc(C)c[nH]4)C[C@@H]32)C1=O	ZINC001085052340	920112843	/nfs/dbraw/zinc/11/28/43/920112843.db2.gz	CJGNJFRYURUXMW-XHSDSOJGSA-N	1	0	357.458	1.041	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4ccnc4)nn3)C[C@@H]21	ZINC001085056080	920193750	/nfs/dbraw/zinc/19/37/50/920193750.db2.gz	ZMAVMTBTQIMCBD-WBVHZDCISA-N	1	0	352.442	1.775	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4c(C)n[nH]c4C)C[C@@H]32)C1=O	ZINC001085058203	920226043	/nfs/dbraw/zinc/22/60/43/920226043.db2.gz	BGRXHQFDJGLWNP-BBWFWOEESA-N	1	0	371.485	1.350	20	30		FDEDRO
C=C(Cl)CN1CC[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]21	ZINC001085064767	920354880	/nfs/dbraw/zinc/35/48/80/920354880.db2.gz	YCISKLDNYLPWFI-WBVHZDCISA-N	1	0	355.910	1.773	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cc(C)ncn4)[C@H]3C2)nc1	ZINC001085078089	920540629	/nfs/dbraw/zinc/54/06/29/920540629.db2.gz	AUOUCDJWCXOJGJ-XLIONFOSSA-N	1	0	361.449	1.898	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(-n4cnnn4)c3)C[C@@H]21	ZINC001085090772	920826949	/nfs/dbraw/zinc/82/69/49/920826949.db2.gz	FJGGBWRAWFRLLR-QAPCUYQASA-N	1	0	352.442	1.775	20	30		FDEDRO
C#CCCOc1ccc(C[NH2+]CCS(=O)(=O)NCC2CCC2)cc1	ZINC000733328592	920982285	/nfs/dbraw/zinc/98/22/85/920982285.db2.gz	WBBFVLYMZMTEBJ-UHFFFAOYSA-N	1	0	350.484	1.898	20	30		FDEDRO
CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cn(C)c(=O)n(C)c2=O)ccc1OC	ZINC000733330463	920985632	/nfs/dbraw/zinc/98/56/32/920985632.db2.gz	XNAXLJMHFZJIJC-HNNXBMFYSA-N	1	0	372.425	1.063	20	30		FDEDRO
O=C(NCC[NH2+]Cc1ccc(N2CCOCC2)cc1)C1N=CC=CC1=O	ZINC000733334725	920989748	/nfs/dbraw/zinc/98/97/48/920989748.db2.gz	QGJBURBPBCFLQG-HNENSFHCSA-N	1	0	356.426	1.139	20	30		FDEDRO
CC(C)n1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)nn1	ZINC001085173809	921968932	/nfs/dbraw/zinc/96/89/32/921968932.db2.gz	KXUGBBRLSGUEPT-HZPDHXFCSA-N	1	0	355.446	1.890	20	30		FDEDRO
CCn1cc(CC[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)cn1	ZINC001085174302	921971377	/nfs/dbraw/zinc/97/13/77/921971377.db2.gz	KUWHYAPRGAKZGR-IAGOWNOFSA-N	1	0	354.458	1.976	20	30		FDEDRO
C[NH+](C)[C@H]1C[C@@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C12CCC2	ZINC000823657805	921971496	/nfs/dbraw/zinc/97/14/96/921971496.db2.gz	USPBOUYWMMNVSZ-SJORKVTESA-N	1	0	364.453	1.929	20	30		FDEDRO
CN1CCOC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001085175009	921996614	/nfs/dbraw/zinc/99/66/14/921996614.db2.gz	ATYVMIFWDCBODW-QRVBRYPASA-N	1	0	356.470	1.406	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCN(C3CCC3)C2=O)c[nH]1	ZINC001085176734	922008171	/nfs/dbraw/zinc/00/81/71/922008171.db2.gz	UPGOGADKSSPCMI-KZNAEPCWSA-N	1	0	369.469	1.670	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CCN3c2ccc(C#N)nn2)CC[N@@H+]1C	ZINC001066201633	922620639	/nfs/dbraw/zinc/62/06/39/922620639.db2.gz	FFYGEWNHLQBKGP-MXASKKJJSA-N	1	0	354.458	1.258	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3c2cnc(C#N)cn2)CC[N@@H+]1C	ZINC001066202066	922620921	/nfs/dbraw/zinc/62/09/21/922620921.db2.gz	IKEPTVPFJGHAIY-MWQQHZPXSA-N	1	0	354.458	1.258	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cn3c(n2)CCC3)C1=O	ZINC001085203640	922695450	/nfs/dbraw/zinc/69/54/50/922695450.db2.gz	UFOXRHFBLQUKFD-OAGGEKHMSA-N	1	0	371.485	1.247	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C2CS(=O)(=O)C2)s1	ZINC001085210118	922772673	/nfs/dbraw/zinc/77/26/73/922772673.db2.gz	SNYLXIBTDKRUNP-HUUCEWRRSA-N	1	0	367.496	1.181	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCNC1=O	ZINC001085223333	922934312	/nfs/dbraw/zinc/93/43/12/922934312.db2.gz	GPVHNWZHSKIREY-JHJVBQTASA-N	1	0	358.280	1.438	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[C@H]2CCNC2=O)cc1	ZINC001085223799	922938291	/nfs/dbraw/zinc/93/82/91/922938291.db2.gz	XAGQRTCKUTWHMS-KZNAEPCWSA-N	1	0	354.454	1.601	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnc3n2CCC3)C1=O	ZINC001085229297	922978786	/nfs/dbraw/zinc/97/87/86/922978786.db2.gz	KEKVVKBLNTZXKB-BZUAXINKSA-N	1	0	371.485	1.247	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccn(CC)n1	ZINC001085230049	922984569	/nfs/dbraw/zinc/98/45/69/922984569.db2.gz	YHDPHTMNLKNESF-QRVBRYPASA-N	1	0	357.502	1.518	20	30		FDEDRO
C[NH+](C)CCOC1CCN(C(=O)NCc2ccc(OCC#N)cc2)CC1	ZINC000734275654	923154275	/nfs/dbraw/zinc/15/42/75/923154275.db2.gz	AFAJIQCEHPWPGC-UHFFFAOYSA-N	1	0	360.458	1.841	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC2N=NC(=O)N2C1	ZINC001085248808	923166844	/nfs/dbraw/zinc/16/68/44/923166844.db2.gz	AKZZGYDXUFBLFA-JHJVBQTASA-N	1	0	353.854	1.316	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(=O)n(C)c1	ZINC001085256189	923227858	/nfs/dbraw/zinc/22/78/58/923227858.db2.gz	QTXQGKXOBDNTHH-ZIAGYGMSSA-N	1	0	368.275	1.925	20	30		FDEDRO
C=CC[C@H](NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccncc1	ZINC000734683365	923581825	/nfs/dbraw/zinc/58/18/25/923581825.db2.gz	LKQKZFLCDRNGQL-MOPGFXCFSA-N	1	0	373.501	1.405	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2[nH]nnc2C)cc1C#N	ZINC001085293807	923613113	/nfs/dbraw/zinc/61/31/13/923613113.db2.gz	BFECRSVUOVEETB-HZPDHXFCSA-N	1	0	368.441	1.824	20	30		FDEDRO
Cc1nn[nH]c1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001085294186	923617943	/nfs/dbraw/zinc/61/79/43/923617943.db2.gz	WVMAASFZZNHVHY-HZPDHXFCSA-N	1	0	356.405	1.955	20	30		FDEDRO
Cn1nnc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)c(F)c2)n1	ZINC001085300391	923662546	/nfs/dbraw/zinc/66/25/46/923662546.db2.gz	QUQJDIUPVBFICF-HUUCEWRRSA-N	1	0	357.393	1.052	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2csc(=O)[nH]2)C1=O	ZINC001085304118	923699010	/nfs/dbraw/zinc/69/90/10/923699010.db2.gz	MPAQZFNJZAOAQW-UPJWGTAASA-N	1	0	364.471	1.266	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1	ZINC000734867639	923813463	/nfs/dbraw/zinc/81/34/63/923813463.db2.gz	RXPOSFZHIRHEIK-MRXNPFEDSA-N	1	0	350.507	1.524	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCO[C@H](C)C2)C1	ZINC001085323326	923857880	/nfs/dbraw/zinc/85/78/80/923857880.db2.gz	BONYHEPGRSKXOJ-BRWVUGGUSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnc(C)cn2)nn1	ZINC001085356555	924178194	/nfs/dbraw/zinc/17/81/94/924178194.db2.gz	DYNOQFTYSNBJQN-HZPDHXFCSA-N	1	0	355.446	1.393	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1c(C)cc(C)nc1=O	ZINC001085375435	924310231	/nfs/dbraw/zinc/31/02/31/924310231.db2.gz	OKFYXRGLDGHDPR-HUUCEWRRSA-N	1	0	352.866	1.630	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(CC)on2)C1=O	ZINC001085397883	924446089	/nfs/dbraw/zinc/44/60/89/924446089.db2.gz	BJRPTLFRXGAIST-OAGGEKHMSA-N	1	0	360.458	1.655	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC(=O)N1	ZINC001085399148	924452238	/nfs/dbraw/zinc/45/22/38/924452238.db2.gz	TUSDRBWULMENHN-ZACQAIPSSA-N	1	0	370.453	1.362	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(C(N)=O)c1	ZINC001085425052	924620265	/nfs/dbraw/zinc/62/02/65/924620265.db2.gz	XIAASZUKIVESOL-IAGOWNOFSA-N	1	0	365.437	1.816	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cn2ccnc2)cc1C#N	ZINC001085438487	924729192	/nfs/dbraw/zinc/72/91/92/924729192.db2.gz	QMBHSXVCDURPRK-QZTJIDSGSA-N	1	0	367.453	1.981	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N(C)C[C@H]2CCN2Cc2ccc(C#N)cc2)O1	ZINC001085670620	925035930	/nfs/dbraw/zinc/03/59/30/925035930.db2.gz	APAODQZRPMDMHE-ATZDWAIDSA-N	1	0	356.470	1.310	20	30		FDEDRO
C=CCn1c(C)nn(CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1=S	ZINC000738214608	925138636	/nfs/dbraw/zinc/13/86/36/925138636.db2.gz	PDMQNFMSBIYTRY-MRXNPFEDSA-N	1	0	350.536	1.578	20	30		FDEDRO
C=CCCCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1	ZINC001108216492	925349859	/nfs/dbraw/zinc/34/98/59/925349859.db2.gz	DCXXQIJFWBLRID-SQGPQFPESA-N	1	0	365.518	1.664	20	30		FDEDRO
CC[N@@H+]1C[C@H](C)N(CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C[C@@H]1C	ZINC000766251717	925376337	/nfs/dbraw/zinc/37/63/37/925376337.db2.gz	DTRNNKSSZHFVFH-DZKIICNBSA-N	1	0	367.453	1.926	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)C[C@H](NC(C)=O)c2ccc(OC)cc2)CC1	ZINC000740735481	925417885	/nfs/dbraw/zinc/41/78/85/925417885.db2.gz	HKRNXTNORKPKBU-FQEVSTJZSA-N	1	0	371.481	1.866	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H](C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001006272476	925441947	/nfs/dbraw/zinc/44/19/47/925441947.db2.gz	CEHVCHXJFQWFMP-ZMSDIMECSA-N	1	0	358.486	1.591	20	30		FDEDRO
CC[NH+]1CCC(N(C)CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1	ZINC000740874367	925480174	/nfs/dbraw/zinc/48/01/74/925480174.db2.gz	FSONYMUCSSPKFZ-INIZCTEOSA-N	1	0	367.453	1.928	20	30		FDEDRO
CC[N@@H+]1CCCN(CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1	ZINC000740877934	925481473	/nfs/dbraw/zinc/48/14/73/925481473.db2.gz	IGYWRQJGTMBMKT-OAHLLOKOSA-N	1	0	353.426	1.539	20	30		FDEDRO
C=CCNC(=O)CN1CC[NH+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000741155335	925595226	/nfs/dbraw/zinc/59/52/26/925595226.db2.gz	CSJFGMLTFLOBGE-INIZCTEOSA-N	1	0	366.506	1.163	20	30		FDEDRO
C=CCNC(=O)NC(=O)COC(=O)C1CC[NH+](Cc2ccccc2)CC1	ZINC000741328544	925721786	/nfs/dbraw/zinc/72/17/86/925721786.db2.gz	HPSOYUZCMONIPN-UHFFFAOYSA-N	1	0	359.426	1.454	20	30		FDEDRO
C=C(Br)CNC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000741414187	925754827	/nfs/dbraw/zinc/75/48/27/925754827.db2.gz	SOCOGVRDZOMSHA-INIZCTEOSA-N	1	0	368.275	1.831	20	30		FDEDRO
CC[N@@H+]1CCC(N=Nc2ccc(S(=O)(=O)NC3CC3)cn2)[C@@H](C)C1	ZINC000741461230	925775998	/nfs/dbraw/zinc/77/59/98/925775998.db2.gz	YYOQVRWXVAGHTE-LBPRGKRZSA-N	1	0	351.476	1.652	20	30		FDEDRO
CC[N@@H+]1CCC(N=Nc2ccc(S(=O)(=O)NC3CC3)cn2)[C@H](C)C1	ZINC000741461229	925776051	/nfs/dbraw/zinc/77/60/51/925776051.db2.gz	YYOQVRWXVAGHTE-GFCCVEGCSA-N	1	0	351.476	1.652	20	30		FDEDRO
C(=[NH+]NCCN1CCCCC1)c1c(N2CCOCC2)nc2ccccn21	ZINC000741806651	925868384	/nfs/dbraw/zinc/86/83/84/925868384.db2.gz	MTBJQKKWLPYWEV-UHFFFAOYSA-N	1	0	356.474	1.580	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC23CC[NH+](C)CC3)cc1	ZINC000742185730	925959679	/nfs/dbraw/zinc/95/96/79/925959679.db2.gz	LMLXBJZSPUVAGS-UHFFFAOYSA-N	1	0	363.483	1.461	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccnc(OC)n2)C1	ZINC001086223386	926353279	/nfs/dbraw/zinc/35/32/79/926353279.db2.gz	NSFHJDBGVORNRT-ORQFMDKSSA-N	1	0	360.458	1.451	20	30		FDEDRO
C[C@@]1(c2cccc(C#N)c2)NC(=O)N(C[N@@H+]2CCC3(C2)CCOCC3)C1=O	ZINC000743406341	926356282	/nfs/dbraw/zinc/35/62/82/926356282.db2.gz	VCJYSRLOJNTUSI-IBGZPJMESA-N	1	0	368.437	1.785	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000743886422	926487406	/nfs/dbraw/zinc/48/74/06/926487406.db2.gz	QGRFOTVXIQIDFT-HOCLYGCPSA-N	1	0	359.401	1.519	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1	ZINC001086436793	927249200	/nfs/dbraw/zinc/24/92/00/927249200.db2.gz	WIDWHIREPYAOQG-VQHPVUNQSA-N	1	0	371.909	1.103	20	30		FDEDRO
C=CC[C@@H](NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccncc1	ZINC000745829942	927447250	/nfs/dbraw/zinc/44/72/50/927447250.db2.gz	JIWQLODEBDXJHC-IAGOWNOFSA-N	1	0	359.474	1.585	20	30		FDEDRO
C[N@H+](CCCSCC#N)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000745983235	927516063	/nfs/dbraw/zinc/51/60/63/927516063.db2.gz	HVHJJMGMBNADST-UHFFFAOYSA-N	1	0	370.519	1.644	20	30		FDEDRO
C#CCN(C(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000746150848	927641514	/nfs/dbraw/zinc/64/15/14/927641514.db2.gz	DCPNDTYNCXDPPV-GOSISDBHSA-N	1	0	369.446	1.510	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)CC1	ZINC000746328656	927848282	/nfs/dbraw/zinc/84/82/82/927848282.db2.gz	PBEBFVVNBSOJLG-QGZVFWFLSA-N	1	0	362.518	1.525	20	30		FDEDRO
N#CCn1cc(NC(=O)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cn1	ZINC000746354715	927901751	/nfs/dbraw/zinc/90/17/51/927901751.db2.gz	ZUNMBHGTAPJVDX-QGZVFWFLSA-N	1	0	366.425	1.298	20	30		FDEDRO
COC(OC)c1c(C#N)ccnc1-n1nnc(-c2cccc(C[NH3+])c2)n1	ZINC001168878585	928157429	/nfs/dbraw/zinc/15/74/29/928157429.db2.gz	UYBKRFMYCMATGV-UHFFFAOYSA-N	1	0	351.370	1.346	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC001169208914	928343428	/nfs/dbraw/zinc/34/34/28/928343428.db2.gz	RLEJUEJJUGQEDX-HNNXBMFYSA-N	1	0	359.474	1.667	20	30		FDEDRO
COc1ccc(C(=NO)Nc2cccc3nc([C@@H]4C[NH2+]CCO4)cn32)nc1	ZINC001169604838	928780453	/nfs/dbraw/zinc/78/04/53/928780453.db2.gz	DKQAWIIPVCOXMA-HNNXBMFYSA-N	1	0	368.397	1.647	20	30		FDEDRO
COC(=O)n1ncc(C#N)c1Nc1cccc2nc([C@H]3C[NH2+]CCO3)cn21	ZINC001169968884	928970048	/nfs/dbraw/zinc/97/00/48/928970048.db2.gz	MWCAAWPNXKMSDK-CYBMUJFWSA-N	1	0	367.369	1.421	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2cnn(C)c2)[C@@H](n2ccnn2)C1	ZINC001129365605	929274189	/nfs/dbraw/zinc/27/41/89/929274189.db2.gz	FAEONXZURYIHLH-JQHSSLGASA-N	1	0	371.489	1.198	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccc(C(N)=O)cc1)C2	ZINC001109517912	929658246	/nfs/dbraw/zinc/65/82/46/929658246.db2.gz	JZSLIDFAJBXCSF-QYZOEREBSA-N	1	0	371.481	1.642	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cnnn3)cn1)C2	ZINC001109549138	929734544	/nfs/dbraw/zinc/73/45/44/929734544.db2.gz	LVEDRNHKMJEAEJ-COXVUDFISA-N	1	0	353.430	1.359	20	30		FDEDRO
C#C[C@@H](C)[N@@H+](C)CCC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC	ZINC000769960508	929755239	/nfs/dbraw/zinc/75/52/39/929755239.db2.gz	CHRPVNPEMCRGRX-SNVBAGLBSA-N	1	0	366.439	1.912	20	30		FDEDRO
C#C[C@@H](C)[N@H+](C)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl	ZINC000769960962	929756210	/nfs/dbraw/zinc/75/62/10/929756210.db2.gz	HNDUPDPFPQJTEZ-GFCCVEGCSA-N	1	0	371.890	1.872	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nc(C)n(-c3nc[nH]n3)n1)C2	ZINC001109579128	929823944	/nfs/dbraw/zinc/82/39/44/929823944.db2.gz	DLKABFLTFFHWID-ATGSNQNLSA-N	1	0	370.461	1.384	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNS(=O)(=O)CC	ZINC001109683626	930124330	/nfs/dbraw/zinc/12/43/30/930124330.db2.gz	VLCXDKTWJOHDCT-CVYDXHPNSA-N	1	0	371.547	1.640	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1C)C2	ZINC001109717285	930198535	/nfs/dbraw/zinc/19/85/35/930198535.db2.gz	JNESXAVGGFZCCG-RDGPPVDQSA-N	1	0	374.529	1.393	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000770790349	930262222	/nfs/dbraw/zinc/26/22/22/930262222.db2.gz	DAUNOPTWBAKBPN-JKSUJKDBSA-N	1	0	368.474	1.899	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C2	ZINC001109798288	930434940	/nfs/dbraw/zinc/43/49/40/930434940.db2.gz	DFDWTPMKJRIEDA-VSZNYVQBSA-N	1	0	362.518	1.273	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC(C)C	ZINC001109806080	930466834	/nfs/dbraw/zinc/46/68/34/930466834.db2.gz	NKYAYTIVMDZZQP-XDNAFOTISA-N	1	0	351.491	1.604	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCOCC1	ZINC001109805721	930497484	/nfs/dbraw/zinc/49/74/84/930497484.db2.gz	IIEVQVCQRDOWEL-HCXYKTFWSA-N	1	0	363.502	1.605	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1	ZINC000771444375	930680994	/nfs/dbraw/zinc/68/09/94/930680994.db2.gz	RMXAQFHKASMKGJ-HNNXBMFYSA-N	1	0	352.479	1.937	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c([nH]c1=O)CCOC3)C2	ZINC001109961853	930893613	/nfs/dbraw/zinc/89/36/13/930893613.db2.gz	HTVAHMGBJJAQNY-JLSDUUJJSA-N	1	0	373.453	1.398	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCC=C	ZINC001109996626	931014321	/nfs/dbraw/zinc/01/43/21/931014321.db2.gz	KAMOXLZFHOTDJI-NJAFHUGGSA-N	1	0	355.438	1.631	20	30		FDEDRO
CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1)C(C)C	ZINC001110002870	931046467	/nfs/dbraw/zinc/04/64/67/931046467.db2.gz	YIMKDHZSCCNJCM-FUMNGEBKSA-N	1	0	368.481	1.940	20	30		FDEDRO
C=CCN1CC[C@@H](N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[N@@H+](C)CCC)C3)C1=O	ZINC001110018078	931114563	/nfs/dbraw/zinc/11/45/63/931114563.db2.gz	ZYUCOAZCPWETSQ-VSZNYVQBSA-N	1	0	362.518	1.227	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(Cl)nn(C)c1C)C2	ZINC001110042008	931212603	/nfs/dbraw/zinc/21/26/03/931212603.db2.gz	QLKCIYVEMGVABS-RDBSUJKOSA-N	1	0	352.866	1.920	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)CCCOCCOCC)[C@@H](n2ccnn2)C1	ZINC001129393260	931287535	/nfs/dbraw/zinc/28/75/35/931287535.db2.gz	GDZQSQMCQNUMJS-SJORKVTESA-N	1	0	365.478	1.029	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc3c(c1)OCCO3)C2	ZINC001110066797	931367803	/nfs/dbraw/zinc/36/78/03/931367803.db2.gz	RDMAJPUZBCSJBD-SQNIBIBYSA-N	1	0	372.465	1.924	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)cc1	ZINC000772601446	931395963	/nfs/dbraw/zinc/39/59/63/931395963.db2.gz	RGIIOXSJFVVQJW-HOCLYGCPSA-N	1	0	351.472	1.739	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCc2ccccc2C#N)CC1=O	ZINC000785652510	931526974	/nfs/dbraw/zinc/52/69/74/931526974.db2.gz	YDTFPGXLISZLOA-QZTJIDSGSA-N	1	0	355.438	1.934	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)OCc2cccc(C#N)c2)CC1=O	ZINC000785652629	931527083	/nfs/dbraw/zinc/52/70/83/931527083.db2.gz	JRUZDEUFXRZYAS-MSOLQXFVSA-N	1	0	355.438	1.934	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC(=O)NC1=O)C2	ZINC001112558627	931579157	/nfs/dbraw/zinc/57/91/57/931579157.db2.gz	PQNNEYJBQSEMNS-KXBFYZLASA-N	1	0	362.474	1.113	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc3c([nH]c1=O)CCOC3)C2	ZINC001112561687	931590109	/nfs/dbraw/zinc/59/01/09/931590109.db2.gz	MLAFYKRDRBRNJT-KKSFZXQISA-N	1	0	369.465	1.715	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccn3c(=O)[nH]nc13)C2	ZINC001112562545	931595229	/nfs/dbraw/zinc/59/52/29/931595229.db2.gz	BXBCUTGNFNZITM-LIRRHRJNSA-N	1	0	353.426	1.290	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(Cl)no1)C2	ZINC001112567146	931637766	/nfs/dbraw/zinc/63/77/66/931637766.db2.gz	ZEZIAZNCNSHDKS-GUYCJALGSA-N	1	0	351.834	1.810	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNS(=O)(=O)CCCC)C2	ZINC001112570840	931652460	/nfs/dbraw/zinc/65/24/60/931652460.db2.gz	RPMWLFDYGGBINN-WMZOPIPTSA-N	1	0	371.547	1.500	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CS(=O)(=O)CCC)C2	ZINC001112581536	931743811	/nfs/dbraw/zinc/74/38/11/931743811.db2.gz	UKWJFEWANQLCGG-HOCLYGCPSA-N	1	0	362.923	1.782	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)CCOC)C2	ZINC001112581982	931747939	/nfs/dbraw/zinc/74/79/39/931747939.db2.gz	CZGOLPSENFKACJ-GJYPPUQNSA-N	1	0	351.491	1.180	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1ccc[nH]1)C2	ZINC001112582643	931750639	/nfs/dbraw/zinc/75/06/39/931750639.db2.gz	HYYLCQZPHIXQTC-GUXCAODWSA-N	1	0	358.486	1.466	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3nnc(C)n3C1)C2	ZINC001112583737	931757619	/nfs/dbraw/zinc/75/76/19/931757619.db2.gz	HLUXZIPEOMDURX-UWVAXJGDSA-N	1	0	355.486	1.391	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)c2nnnn2C)C1	ZINC001112588746	931798336	/nfs/dbraw/zinc/79/83/36/931798336.db2.gz	SBZBWWGOYWESFM-VKJFTORMSA-N	1	0	362.478	1.082	20	30		FDEDRO
CCOC(=O)N1CCC([C@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCC2)CC1	ZINC000786784914	932032751	/nfs/dbraw/zinc/03/27/51/932032751.db2.gz	GQUCWZHZILYQDD-UONOGXRCSA-N	1	0	350.463	1.784	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000787107593	932183015	/nfs/dbraw/zinc/18/30/15/932183015.db2.gz	NUVPSGQUEJYTCG-RDJZCZTQSA-N	1	0	351.491	1.607	20	30		FDEDRO
C[NH+](C)[C@@H]1CCCC(N=Nc2ccc(S(=O)(=O)NC3CC3)cn2)C1	ZINC000788424323	932692190	/nfs/dbraw/zinc/69/21/90/932692190.db2.gz	GMJFZACUTBWMHI-CQSZACIVSA-N	1	0	351.476	1.794	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)n1	ZINC000789023422	932917944	/nfs/dbraw/zinc/91/79/44/932917944.db2.gz	WLXZDWYIOAKQMK-LJQANCHMSA-N	1	0	373.501	1.691	20	30		FDEDRO
C=CCNC(=S)C(C(=O)c1cnn(C)n1)[n+]1ccc2c(c1)CCCC2	ZINC000789395496	933006213	/nfs/dbraw/zinc/00/62/13/933006213.db2.gz	UJZDQCUBCLUURX-UHFFFAOYSA-O	1	0	356.475	1.968	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2nc(OC)cc(OC)n2)C1	ZINC001086595602	933901528	/nfs/dbraw/zinc/90/15/28/933901528.db2.gz	KLYUFGLEPVBRPE-JKSUJKDBSA-N	1	0	368.437	1.878	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2CCCNC2=O)C1	ZINC001086597134	933954119	/nfs/dbraw/zinc/95/41/19/933954119.db2.gz	OTJMNBPGNUYHDY-ZWKOTPCHSA-N	1	0	354.454	1.009	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NCC[N@H+]2CC=CCC2)s1	ZINC000822587077	945097047	/nfs/dbraw/zinc/09/70/47/945097047.db2.gz	KYSRWOYVEGQGPT-UHFFFAOYSA-N	1	0	369.512	1.133	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)C1	ZINC001086622427	938400560	/nfs/dbraw/zinc/40/05/60/938400560.db2.gz	WTSXQDOBUXNFSP-XUVXKRRUSA-N	1	0	371.481	1.394	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2ncccc2Cl)[C@@H](n2ccnn2)C1	ZINC001129400734	938415892	/nfs/dbraw/zinc/41/58/92/938415892.db2.gz	ZAERBJZPWFDKFP-CABCVRRESA-N	1	0	360.849	1.948	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)COc2cc(C)ccc2C)[C@@H](n2ccnn2)C1	ZINC001129445409	938418273	/nfs/dbraw/zinc/41/82/73/938418273.db2.gz	LLSXRIQRLHPKFA-MSOLQXFVSA-N	1	0	367.453	1.339	20	30		FDEDRO
C=CC[C@@H](C(=O)N[C@@H]1CN(CCOC)C[C@@H]1n1ccnn1)c1ccccc1	ZINC001129449661	938420038	/nfs/dbraw/zinc/42/00/38/938420038.db2.gz	UTRQMXGWKATWIG-QRVBRYPASA-N	1	0	369.469	1.626	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC/C=C\CCC)C[C@@H]1n1ccnn1	ZINC001129481468	938434298	/nfs/dbraw/zinc/43/42/98/938434298.db2.gz	LUZNDOPHVUGUAU-CBETYXLMSA-N	1	0	361.490	1.957	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@@H]1n1ccnn1	ZINC001129482287	938434729	/nfs/dbraw/zinc/43/47/29/938434729.db2.gz	SRBIMNQPBDAIFX-JQHSSLGASA-N	1	0	359.474	1.711	20	30		FDEDRO
CCCCC(=O)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129598218	938461728	/nfs/dbraw/zinc/46/17/28/938461728.db2.gz	FTVQWKPYSOHXFX-MOPGFXCFSA-N	1	0	351.454	1.862	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccc(F)nc2)C[C@@H]1n1ccnn1	ZINC001129683739	938484685	/nfs/dbraw/zinc/48/46/85/938484685.db2.gz	AIFVFGRFMPAMHP-IMJJTQAJSA-N	1	0	358.421	1.822	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]CCOCC(F)(F)F)[C@@H](n2ccnn2)C1	ZINC001129677762	938491008	/nfs/dbraw/zinc/49/10/08/938491008.db2.gz	NLIGUGJIVZTQKF-OLZOCXBDSA-N	1	0	361.368	1.165	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2C(C)(C)C2(C)C)C[C@@H]1n1ccnn1	ZINC001129727094	938495320	/nfs/dbraw/zinc/49/53/20/938495320.db2.gz	CTTQLHLOIHONGC-CABCVRRESA-N	1	0	361.490	1.504	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC2CCOCC2)C[C@@H]1n1ccnn1	ZINC001129708127	938498798	/nfs/dbraw/zinc/49/87/98/938498798.db2.gz	JJVRTNXQOVDZFX-NXHRZFHOSA-N	1	0	361.490	1.791	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n2ccnn2)C1	ZINC001129756582	938501644	/nfs/dbraw/zinc/50/16/44/938501644.db2.gz	AQTDNSSZGOTIPH-KGLIPLIRSA-N	1	0	357.380	1.766	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H]([NH2+]CCOCC(C)C)[C@@H](n2ccnn2)C1	ZINC001129757011	938502035	/nfs/dbraw/zinc/50/20/35/938502035.db2.gz	RCBHRZJDOOVPKZ-MSOLQXFVSA-N	1	0	361.490	1.486	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2ncc[nH]2)C[C@@H]1n1ccnn1	ZINC001129803243	938516781	/nfs/dbraw/zinc/51/67/81/938516781.db2.gz	BPFHPJJWUMFBRO-XHSDSOJGSA-N	1	0	357.462	1.330	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1n1ccnn1	ZINC001129807337	938518205	/nfs/dbraw/zinc/51/82/05/938518205.db2.gz	IOUZEGUPBPNNLA-CABCVRRESA-N	1	0	360.466	1.032	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H]([NH2+]C/C=C/c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129817014	938521052	/nfs/dbraw/zinc/52/10/52/938521052.db2.gz	RIWNVEQNCKFMGX-FOPBSNOLSA-N	1	0	361.449	1.746	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)[C@@H](n2ccnn2)C1	ZINC001129822495	938522281	/nfs/dbraw/zinc/52/22/81/938522281.db2.gz	VEPQVULVMIRBIH-XHSDSOJGSA-N	1	0	365.428	1.714	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CCC2=CCCCC2)[C@@H](n2ccnn2)C1	ZINC001129829236	938523528	/nfs/dbraw/zinc/52/35/28/938523528.db2.gz	BVPBOUNKHBLTKR-UHOSZYNNSA-N	1	0	371.485	1.548	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c(Cl)cnn2C)C[C@@H]1n1ccnn1	ZINC001129845038	938525395	/nfs/dbraw/zinc/52/53/95/938525395.db2.gz	LAKOKNQPHSBLQQ-KGLIPLIRSA-N	1	0	363.853	1.287	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[C@@H]2CCCCO2)C[C@@H]1n1ccnn1	ZINC001129849993	938527211	/nfs/dbraw/zinc/52/72/11/938527211.db2.gz	IKLCXIXOKVIAIZ-IKGGRYGDSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n2ccnn2)C1	ZINC001129855761	938528619	/nfs/dbraw/zinc/52/86/19/938528619.db2.gz	QQDCZMXOHUJIMP-OPPLUXHSSA-N	1	0	365.865	1.353	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2Cc3ccccc3O2)C[C@@H]1n1ccnn1	ZINC001129864139	938531882	/nfs/dbraw/zinc/53/18/82/938531882.db2.gz	QLRKNLUMHWZNRN-KSZLIROESA-N	1	0	367.453	1.590	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2oc(CC3CC3)nc2C)C[C@@H]1n1ccnn1	ZINC001129864154	938531921	/nfs/dbraw/zinc/53/19/21/938531921.db2.gz	RIJVBUIRJJSZTP-CVEARBPZSA-N	1	0	368.441	1.206	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H]([NH2+]CC2CCCCC2)[C@@H](n2ccnn2)C1	ZINC001129838128	938535361	/nfs/dbraw/zinc/53/53/61/938535361.db2.gz	RPJPRGVJZPJSDR-MSOLQXFVSA-N	1	0	359.474	1.240	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n2ccnn2)C1)OCC	ZINC001129879197	938536511	/nfs/dbraw/zinc/53/65/11/938536511.db2.gz	WVIQXIKXDSUQKU-XTYCPRDBSA-N	1	0	367.881	1.743	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(OC(C)C)nc2)C[C@@H]1n1ccnn1	ZINC001129881665	938537713	/nfs/dbraw/zinc/53/77/13/938537713.db2.gz	OFBAULPDXFHYPK-SJORKVTESA-N	1	0	368.441	1.139	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H]([NH2+]CC2CCOCC2)[C@@H](n2ccnn2)C1	ZINC001129876307	938546731	/nfs/dbraw/zinc/54/67/31/938546731.db2.gz	KINGYLWMZSXEBS-SJORKVTESA-N	1	0	361.490	1.649	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccnn2C2CCCC2)C[C@@H]1n1ccnn1	ZINC001129876358	938546763	/nfs/dbraw/zinc/54/67/63/938546763.db2.gz	NDSKQVVFUIHPFE-AEFFLSMTSA-N	1	0	367.457	1.268	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)nn2C)C[C@@H]1n1ccnn1	ZINC001129876797	938547226	/nfs/dbraw/zinc/54/72/26/938547226.db2.gz	ZUXNCIIKRIYAEP-WBVHZDCISA-N	1	0	355.446	1.120	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3ccccc32)C[C@@H]1n1ccnn1	ZINC001129912732	938551574	/nfs/dbraw/zinc/55/15/74/938551574.db2.gz	XPBHAOQYNNFUTB-ZCNNSNEGSA-N	1	0	363.465	1.763	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2cnn3ccccc23)C[C@@H]1n1ccnn1	ZINC001129895718	938557117	/nfs/dbraw/zinc/55/71/17/938557117.db2.gz	HGXGIQYOQYRHML-AEFFLSMTSA-N	1	0	365.441	1.086	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C/C=C/Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001129897538	938558391	/nfs/dbraw/zinc/55/83/91/938558391.db2.gz	AFXDGVJYAOMQNM-CLJKYYQGSA-N	1	0	363.465	1.832	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1n1ccnn1	ZINC001129899894	938559530	/nfs/dbraw/zinc/55/95/30/938559530.db2.gz	QSXPHWRYNSILBS-CABCVRRESA-N	1	0	364.494	1.102	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ncc(Cl)s2)C[C@@H]1n1ccnn1	ZINC001129936807	938564269	/nfs/dbraw/zinc/56/42/69/938564269.db2.gz	QEOOHUIMIGRMRX-MNOVXSKESA-N	1	0	350.835	1.067	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ncc3ccccn32)C[C@@H]1n1ccnn1	ZINC001129936971	938564486	/nfs/dbraw/zinc/56/44/86/938564486.db2.gz	ZWGKLSWFDPHXGN-SJORKVTESA-N	1	0	365.441	1.547	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2nccc3occc32)C[C@@H]1n1ccnn1	ZINC001129941391	938566622	/nfs/dbraw/zinc/56/66/22/938566622.db2.gz	YSRWUDLECYJKKC-CABCVRRESA-N	1	0	352.398	1.651	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccnc(OC)c2)C[C@@H]1n1ccnn1	ZINC001129923595	938569437	/nfs/dbraw/zinc/56/94/37/938569437.db2.gz	LYJNRWUDFCMMIX-OIISXLGYSA-N	1	0	370.457	1.692	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2nc(C)c(C)nc2C)C[C@@H]1n1ccnn1	ZINC001129928823	938572210	/nfs/dbraw/zinc/57/22/10/938572210.db2.gz	OHVZCSCXGFPFCQ-SJORKVTESA-N	1	0	369.473	1.615	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCn2nc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001129949101	938573870	/nfs/dbraw/zinc/57/38/70/938573870.db2.gz	OZSHIDOIBUZBAK-MSOLQXFVSA-N	1	0	371.489	1.489	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]([NH2+]CCOCC2CCC2)[C@@H](n2ccnn2)C1	ZINC001129959200	938577934	/nfs/dbraw/zinc/57/79/34/938577934.db2.gz	MGBUMQMVYWFIHQ-SJORKVTESA-N	1	0	361.490	1.649	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1	ZINC001129945566	938580798	/nfs/dbraw/zinc/58/07/98/938580798.db2.gz	QWYLRXNZCLEKKB-HLLBOEOZSA-N	1	0	353.442	1.208	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H]([NH2+]CCC(=C)C)[C@@H](n2ccnn2)C1	ZINC001129945929	938581064	/nfs/dbraw/zinc/58/10/64/938581064.db2.gz	YMALMBRPGKFKCT-ZIFCJYIRSA-N	1	0	361.490	1.815	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3ccc(C)cc3[nH]2)C[C@@H]1n1ccnn1	ZINC001129947927	938582625	/nfs/dbraw/zinc/58/26/25/938582625.db2.gz	UISKARAXGXDHBF-MOPGFXCFSA-N	1	0	362.437	1.746	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H]([NH2+]CCOCC(F)F)[C@@H](n2ccnn2)C1	ZINC001129972668	938591323	/nfs/dbraw/zinc/59/13/23/938591323.db2.gz	IBRNHXUBOQAXAO-CABCVRRESA-N	1	0	369.416	1.095	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2c(C)nc[nH]c2=O)C[C@@H]1n1ccnn1	ZINC001129972967	938591886	/nfs/dbraw/zinc/59/18/86/938591886.db2.gz	UMZQRLIFIKAORR-CFVMTHIKSA-N	1	0	371.445	1.092	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(OC)cn2)C[C@@H]1n1ccnn1	ZINC001129977785	938593045	/nfs/dbraw/zinc/59/30/45/938593045.db2.gz	FVFPJFBJUPMBKC-MSOLQXFVSA-N	1	0	370.457	1.232	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H]([NH2+]CCc2ccnn2C)[C@@H](n2ccnn2)C1	ZINC001129976786	938601485	/nfs/dbraw/zinc/60/14/85/938601485.db2.gz	YWQSNBJSEKACFX-NXHRZFHOSA-N	1	0	371.489	1.198	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]([NH2+]CC/C=C/CC)[C@@H](n3ccnn3)C2)c1	ZINC001129997530	938605543	/nfs/dbraw/zinc/60/55/43/938605543.db2.gz	QMMPPFCWNDNNFW-YSKLNCTFSA-N	1	0	364.453	1.666	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCCc2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001129990186	938612576	/nfs/dbraw/zinc/61/25/76/938612576.db2.gz	QHLXKKKLDUCAGG-UXHICEINSA-N	1	0	365.481	1.974	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C[C@@H]1n1ccnn1	ZINC001130017452	938617793	/nfs/dbraw/zinc/61/77/93/938617793.db2.gz	JDMQYYUFQHIZJO-LFDJNIOPSA-N	1	0	355.486	1.859	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3ccccc3C2)C[C@@H]1n1ccnn1	ZINC001130020831	938619812	/nfs/dbraw/zinc/61/98/12/938619812.db2.gz	ZHZXJUVOSKPZRN-AQNXPRMDSA-N	1	0	363.465	1.448	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H]([NH2+]CC[C@H]2CCCO2)[C@@H](n2ccnn2)C1	ZINC001130022719	938620678	/nfs/dbraw/zinc/62/06/78/938620678.db2.gz	JVQAKCNDSDJYLP-ZACQAIPSSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3ccncc3C2)C[C@@H]1n1ccnn1	ZINC001130007219	938624523	/nfs/dbraw/zinc/62/45/23/938624523.db2.gz	FAIFIBLAONSUDC-QRQLOZEOSA-N	1	0	366.469	1.396	20	30		FDEDRO
CCC[C@H](C(=O)N1C[C@@H]([NH2+]CC#CCOC)[C@@H](n2ccnn2)C1)C(C)C	ZINC001130026369	938629222	/nfs/dbraw/zinc/62/92/22/938629222.db2.gz	NBNLTCREHJZGIZ-KSZLIROESA-N	1	0	361.490	1.342	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2csc(C3CC3)n2)C[C@@H]1n1ccnn1	ZINC001130028237	938630405	/nfs/dbraw/zinc/63/04/05/938630405.db2.gz	MEJAINHQGBXMKA-CVEARBPZSA-N	1	0	370.482	1.220	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc3cccnn32)C[C@@H]1n1ccnn1	ZINC001130030766	938632131	/nfs/dbraw/zinc/63/21/31/938632131.db2.gz	QKGVLEMOFYRXID-AEFFLSMTSA-N	1	0	365.441	1.547	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2cn[nH]c2)C[C@@H]1n1ccnn1	ZINC001130033074	938633651	/nfs/dbraw/zinc/63/36/51/938633651.db2.gz	RYOVKEPGWJNOFD-OIISXLGYSA-N	1	0	357.462	1.330	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2sc(C)cc2OC)C[C@@H]1n1ccnn1	ZINC001130034757	938635061	/nfs/dbraw/zinc/63/50/61/938635061.db2.gz	XCSPIOWMXGWEBP-KGLIPLIRSA-N	1	0	361.471	1.888	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1n1ccnn1	ZINC001130057033	938641197	/nfs/dbraw/zinc/64/11/97/938641197.db2.gz	FSWQJSCWRQKLII-CVEARBPZSA-N	1	0	357.462	1.332	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2ncccn2)C[C@@H]1n1ccnn1	ZINC001130046250	938645512	/nfs/dbraw/zinc/64/55/12/938645512.db2.gz	KCKMIRFTFAHJPN-CVEARBPZSA-N	1	0	355.446	1.009	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2cnn(C)c2)C[C@@H]1n1ccnn1	ZINC001130062653	938650640	/nfs/dbraw/zinc/65/06/40/938650640.db2.gz	PNJJZOQKELLLJA-NXHRZFHOSA-N	1	0	371.489	1.198	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnoc2C2CC2)C[C@@H]1n1ccnn1	ZINC001130066495	938654997	/nfs/dbraw/zinc/65/49/97/938654997.db2.gz	BKFJERATRFIFFD-CVEARBPZSA-N	1	0	356.430	1.765	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cccc(OC)n2)C[C@@H]1n1ccnn1	ZINC001130070627	938657559	/nfs/dbraw/zinc/65/75/59/938657559.db2.gz	BEQACHJNPSFLRI-CVEARBPZSA-N	1	0	356.430	1.303	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn(C(F)F)c2)C[C@@H]1n1ccnn1	ZINC001130057394	938659677	/nfs/dbraw/zinc/65/96/77/938659677.db2.gz	ZFIVJKVGBKNTCR-OLZOCXBDSA-N	1	0	351.361	1.101	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cn(CC)cn2)C[C@@H]1n1ccnn1	ZINC001130085907	938667024	/nfs/dbraw/zinc/66/70/24/938667024.db2.gz	CWHFUPWQGVUAKA-AEFFLSMTSA-N	1	0	371.489	1.896	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3nc[nH]c3C2)C[C@@H]1n1ccnn1	ZINC001130077661	938670820	/nfs/dbraw/zinc/67/08/20/938670820.db2.gz	TZRQVLOXEVSAOW-QGTPRVQTSA-N	1	0	369.473	1.114	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCOCCCOC)C[C@@H]1n1ccnn1	ZINC001130079688	938672756	/nfs/dbraw/zinc/67/27/56/938672756.db2.gz	VVGCTNLNCBUGLY-SJORKVTESA-N	1	0	365.478	1.029	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]C[C@H](C)CC)[C@@H](n3ccnn3)C2)cn1	ZINC001130091262	938676527	/nfs/dbraw/zinc/67/65/27/938676527.db2.gz	ISOPUVGHCZKRJE-OLMNPRSZSA-N	1	0	352.442	1.356	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2sccc2OC)C[C@@H]1n1ccnn1	ZINC001130096298	938680647	/nfs/dbraw/zinc/68/06/47/938680647.db2.gz	CZAPZGGTOTZFKK-KGLIPLIRSA-N	1	0	361.471	1.970	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCCc2ccccn2)C[C@@H]1n1ccnn1	ZINC001130099571	938682182	/nfs/dbraw/zinc/68/21/82/938682182.db2.gz	JCDGVGFWCQOGGW-MSOLQXFVSA-N	1	0	354.458	1.614	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3cccnc3C2)C[C@@H]1n1ccnn1	ZINC001130105133	938685959	/nfs/dbraw/zinc/68/59/59/938685959.db2.gz	MCRHUGHIRQIZQN-UHOSZYNNSA-N	1	0	366.469	1.396	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)COCc2cccnc2)C[C@@H]1n1ccnn1	ZINC001130105264	938686181	/nfs/dbraw/zinc/68/61/81/938686181.db2.gz	STUWAXJCDWDXSP-MSOLQXFVSA-N	1	0	370.457	1.198	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]([NH2+]C[C@H](C)CC)[C@@H](n2ccnn2)C1	ZINC001130109642	938688435	/nfs/dbraw/zinc/68/84/35/938688435.db2.gz	DJQACPBPYISSGO-AHRSYUTCSA-N	1	0	365.481	1.890	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2CCC(C3CC3)CC2)C[C@@H]1n1ccnn1	ZINC001130110078	938688999	/nfs/dbraw/zinc/68/89/99/938688999.db2.gz	TYERYXLSQYUGPA-GMNCBBECSA-N	1	0	355.486	1.859	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COc2cccc(CC)c2)C[C@@H]1n1ccnn1	ZINC001130112482	938692014	/nfs/dbraw/zinc/69/20/14/938692014.db2.gz	BQBJXVPOOABWQP-MOPGFXCFSA-N	1	0	367.453	1.284	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2ccccc2OC)C[C@@H]1n1ccnn1	ZINC001130112489	938692139	/nfs/dbraw/zinc/69/21/39/938692139.db2.gz	BXMJYAZKFJITTA-MSOLQXFVSA-N	1	0	367.453	1.284	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001130112790	938692604	/nfs/dbraw/zinc/69/26/04/938692604.db2.gz	RYNYTNAMAAOISI-QRQLOZEOSA-N	1	0	367.453	1.419	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCOc2ccccc2C)C[C@@H]1n1ccnn1	ZINC001130125268	938695972	/nfs/dbraw/zinc/69/59/72/938695972.db2.gz	FKXPWBUDVGAUOB-MSOLQXFVSA-N	1	0	367.453	1.420	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COc2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001130118393	938701430	/nfs/dbraw/zinc/70/14/30/938701430.db2.gz	DYBGHZCWARFKPJ-MSOLQXFVSA-N	1	0	353.426	1.030	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C(=O)Nc2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001130119237	938702388	/nfs/dbraw/zinc/70/23/88/938702388.db2.gz	YYEREOOHKUBOLI-SJORKVTESA-N	1	0	368.441	1.143	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)c2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001130146396	938706405	/nfs/dbraw/zinc/70/64/05/938706405.db2.gz	POHFPGWDSORRPL-QRVBRYPASA-N	1	0	369.444	1.976	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc3oc(C)nc32)C[C@@H]1n1ccnn1	ZINC001130146694	938706779	/nfs/dbraw/zinc/70/67/79/938706779.db2.gz	WMUNJBQOXYVIOI-CVEARBPZSA-N	1	0	364.409	1.406	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCCOc2cccnc2)C[C@@H]1n1ccnn1	ZINC001130132599	938707394	/nfs/dbraw/zinc/70/73/94/938707394.db2.gz	HKTDPBKVMAOEBD-MSOLQXFVSA-N	1	0	370.457	1.450	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cc2ccc[nH]2)C[C@@H]1n1ccnn1	ZINC001130133768	938708289	/nfs/dbraw/zinc/70/82/89/938708289.db2.gz	CJXAFURAVVAIGN-MSOLQXFVSA-N	1	0	356.474	1.937	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCCOCC)C[C@@H]1n1ccnn1	ZINC001130134048	938708902	/nfs/dbraw/zinc/70/89/02/938708902.db2.gz	PVDFKNYZMDZFNL-BBWFWOEESA-N	1	0	365.478	1.027	20	30		FDEDRO
CCCCCCCC[C@@H](C)C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1	ZINC001130134179	938708922	/nfs/dbraw/zinc/70/89/22/938708922.db2.gz	WHAUJPQTZQAPNP-KURKYZTESA-N	1	0	365.522	1.999	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)n2c(C)ccc2C)C[C@@H]1n1ccnn1	ZINC001130139731	938711698	/nfs/dbraw/zinc/71/16/98/938711698.db2.gz	GUFBLJAQJSFFJQ-KURKYZTESA-N	1	0	354.458	1.322	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CCCC2CCC2)[C@@H](n2ccnn2)C1	ZINC001130150894	938715356	/nfs/dbraw/zinc/71/53/56/938715356.db2.gz	FIMOUPFTCCCCSH-JQHSSLGASA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]([NH2+]CCOCCCC)[C@@H](n2ccnn2)C1	ZINC001130150877	938715366	/nfs/dbraw/zinc/71/53/66/938715366.db2.gz	DRNHIQJKEPJAEU-SJORKVTESA-N	1	0	365.478	1.029	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=Cc2ccco2)[nH]1	ZINC001130177655	938725250	/nfs/dbraw/zinc/72/52/50/938725250.db2.gz	NDFKNOWPPMJKOT-KQLNYGGHSA-N	1	0	369.425	1.213	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=Cc2ccco2)[nH]1	ZINC001130177793	938725708	/nfs/dbraw/zinc/72/57/08/938725708.db2.gz	UXGZRHCHJNAAHJ-XFCCUVRLSA-N	1	0	371.441	1.766	20	30		FDEDRO
CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]Cc2ccc(C#N)cc2)[nH]1	ZINC001130179681	938727248	/nfs/dbraw/zinc/72/72/48/938727248.db2.gz	PUUSTQGVHSJAGZ-HOTGVXAUSA-N	1	0	368.441	1.365	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccccc2O)[nH]1	ZINC001130186633	938732351	/nfs/dbraw/zinc/73/23/51/938732351.db2.gz	IJWKFKNRNQVTEW-HOCLYGCPSA-N	1	0	371.441	1.479	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H]2C=CCC2)[nH]1	ZINC001130187808	938734155	/nfs/dbraw/zinc/73/41/55/938734155.db2.gz	KMNUBLRBXRPDKH-JYJNAYRXSA-N	1	0	357.458	1.263	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H](C)CCC)[nH]1	ZINC001130193176	938737729	/nfs/dbraw/zinc/73/77/29/938737729.db2.gz	LSOPWVXPNRZNGD-JYJNAYRXSA-N	1	0	361.490	1.733	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H](C)CCC)n1	ZINC001130193211	938737746	/nfs/dbraw/zinc/73/77/46/938737746.db2.gz	MROBLQCNOUUNMJ-JYJNAYRXSA-N	1	0	361.490	1.733	20	30		FDEDRO
CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C#N)c[nH]2)[nH]1	ZINC001130195766	938738850	/nfs/dbraw/zinc/73/88/50/938738850.db2.gz	BKFOJTOHVJLEND-ZFWWWQNUSA-N	1	0	371.445	1.197	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccccc2)[nH]1	ZINC001130183252	938742760	/nfs/dbraw/zinc/74/27/60/938742760.db2.gz	YQGKTTVIPQKJHH-HOTGVXAUSA-N	1	0	355.442	1.773	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2coc(C)c2)[nH]1	ZINC001130204694	938745698	/nfs/dbraw/zinc/74/56/98/938745698.db2.gz	FCJRPVIMKIKCIW-GJZGRUSLSA-N	1	0	357.414	1.122	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2coc(C)n2)[nH]1	ZINC001130204716	938745770	/nfs/dbraw/zinc/74/57/70/938745770.db2.gz	GPGOPPDDHKVECA-JSGCOSHPSA-N	1	0	360.418	1.069	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[C@@H](C)OC)[nH]1	ZINC001130204754	938745815	/nfs/dbraw/zinc/74/58/15/938745815.db2.gz	JDLLUSZJVCCQDN-ILXRZTDVSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C#CC2CC2)[nH]1	ZINC001130212781	938749625	/nfs/dbraw/zinc/74/96/25/938749625.db2.gz	CSQYLYUMABEBCX-HOTGVXAUSA-N	1	0	357.458	1.263	20	30		FDEDRO
CC/C=C\CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C#CC2CC2)[nH]1	ZINC001130212948	938749952	/nfs/dbraw/zinc/74/99/52/938749952.db2.gz	MJLGCQMCQBMJNS-QCDWVSHVSA-N	1	0	371.485	1.653	20	30		FDEDRO
C=C(C)CCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC(=C)Cl)n[nH]1	ZINC001130215701	938751832	/nfs/dbraw/zinc/75/18/32/938751832.db2.gz	CILVVPGFZVKAQS-KBPBESRZSA-N	1	0	367.881	1.992	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cscn2)[nH]1	ZINC001130202521	938755068	/nfs/dbraw/zinc/75/50/68/938755068.db2.gz	AJRSQMZRZMAEBH-AAEUAGOBSA-N	1	0	362.459	1.229	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H]2C=CCCC2)n1	ZINC001130221076	938756389	/nfs/dbraw/zinc/75/63/89/938756389.db2.gz	SNVZTAWVJYRVTB-PMPSAXMXSA-N	1	0	357.458	1.263	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCC2(F)F)[nH]1	ZINC001130220896	938756402	/nfs/dbraw/zinc/75/64/02/938756402.db2.gz	QDFQJXVNEQIPKV-TUAOUCFPSA-N	1	0	355.389	1.114	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)C(F)(F)F)[nH]1	ZINC001130227785	938761908	/nfs/dbraw/zinc/76/19/08/938761908.db2.gz	OXFAKTHSTPYVNF-VWYCJHECSA-N	1	0	361.368	1.267	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)C(F)F)[nH]1	ZINC001130234676	938765813	/nfs/dbraw/zinc/76/58/13/938765813.db2.gz	HSGJLFSIQPSALY-RYUDHWBXSA-N	1	0	369.416	1.198	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC#CC)n[nH]1	ZINC001130234693	938765920	/nfs/dbraw/zinc/76/59/20/938765920.db2.gz	IGBJMITUASQLSG-YZVOILCLSA-N	1	0	359.474	1.509	20	30		FDEDRO
C=CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C[C@@H](F)CC)[nH]1	ZINC001130238029	938767342	/nfs/dbraw/zinc/76/73/42/938767342.db2.gz	POQNUSCLUVCYRY-KKUMJFAQSA-N	1	0	367.469	1.987	20	30		FDEDRO
C=CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCOCC)[nH]1	ZINC001130238086	938767427	/nfs/dbraw/zinc/76/74/27/938767427.db2.gz	SPBATMPQOUGNRS-GJZGRUSLSA-N	1	0	365.478	1.276	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C)cc(F)c2)n1	ZINC001130240510	938768393	/nfs/dbraw/zinc/76/83/93/938768393.db2.gz	SBFVPMRZUFLSEE-HOTGVXAUSA-N	1	0	371.416	1.278	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2C2CC2)[nH]1	ZINC001130242073	938769293	/nfs/dbraw/zinc/76/92/93/938769293.db2.gz	CZDJQPBYHYXICY-JONQDZQNSA-N	1	0	359.474	1.505	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccnc(C)c2)[nH]1	ZINC001130245245	938770862	/nfs/dbraw/zinc/77/08/62/938770862.db2.gz	XSKIBCNAXNTLSN-HOTGVXAUSA-N	1	0	370.457	1.476	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C2CC2)C2CC2)n1	ZINC001130245995	938771505	/nfs/dbraw/zinc/77/15/05/938771505.db2.gz	AUVDZEPVRMCEDZ-HOTGVXAUSA-N	1	0	371.485	1.343	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](CC)CC(C)C)n1	ZINC001130246744	938771976	/nfs/dbraw/zinc/77/19/76/938771976.db2.gz	OOXRQRYWPCCJLY-PMPSAXMXSA-N	1	0	361.490	1.589	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](CC)OCC)CC1	ZINC001130276858	938788104	/nfs/dbraw/zinc/78/81/04/938788104.db2.gz	SKIIYYYDUBQUIP-RYRKJORJSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)COC)CC1	ZINC001130278886	938788996	/nfs/dbraw/zinc/78/89/96/938788996.db2.gz	ISRSUPXWTXPDKK-WDYCEAGBSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCC)CC1	ZINC001130288239	938793003	/nfs/dbraw/zinc/79/30/03/938793003.db2.gz	JXFAMTPVPIQFTL-MNEFBYGVSA-N	1	0	351.491	1.199	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@H](C)OC)CC1	ZINC001130291041	938795712	/nfs/dbraw/zinc/79/57/12/938795712.db2.gz	VIGJWZIRODWEDM-VPWXQRGCSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCCC1(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH+](CCO)CC2)CC1	ZINC001130298895	938798987	/nfs/dbraw/zinc/79/89/87/938798987.db2.gz	LBFSEVZPSUMYCG-AEFFLSMTSA-N	1	0	363.502	1.201	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](OC)C(C)C)CC1	ZINC001130298922	938799014	/nfs/dbraw/zinc/79/90/14/938799014.db2.gz	MRIQNCQVLCXVNV-NEWSRXKRSA-N	1	0	363.502	1.156	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](OC)C(C)C)CC1	ZINC001130299023	938799320	/nfs/dbraw/zinc/79/93/20/938799320.db2.gz	SYCDLAYNKJLSKD-NEWSRXKRSA-N	1	0	363.502	1.156	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1)[C@@H]1CCCO1	ZINC000805636396	938799521	/nfs/dbraw/zinc/79/95/21/938799521.db2.gz	PKHWQLWBYSRPRQ-IKGGRYGDSA-N	1	0	363.502	1.300	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2(C(C)(F)F)CC2)CC1	ZINC001130302247	938800662	/nfs/dbraw/zinc/80/06/62/938800662.db2.gz	SNMDBGLRVXKMNR-ZBFHGGJFSA-N	1	0	367.440	1.530	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)CCOC)CC1	ZINC001130307559	938805023	/nfs/dbraw/zinc/80/50/23/938805023.db2.gz	UJGSRCISMMZQIZ-LESCRADOSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2cnccn2)CC1	ZINC001130307463	938805207	/nfs/dbraw/zinc/80/52/07/938805207.db2.gz	QTNAOCRHSMSGGG-XLIONFOSSA-N	1	0	371.485	1.071	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCC)CC1	ZINC001130313000	938807545	/nfs/dbraw/zinc/80/75/45/938807545.db2.gz	ITTQNICCSBSNEU-LESCRADOSA-N	1	0	351.491	1.463	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]2C2CC2)C1	ZINC001130430873	938846208	/nfs/dbraw/zinc/84/62/08/938846208.db2.gz	KJOPODHZXJVCNR-BPQIPLTHSA-N	1	0	356.470	1.511	20	30		FDEDRO
Cn1cnc([C@@H]2CN(C(=O)C3CC3)C[C@H]2[NH2+]CC#Cc2ccc(F)cc2)c1	ZINC001130473886	938864643	/nfs/dbraw/zinc/86/46/43/938864643.db2.gz	IBMVFPRFNOTXKB-AZUAARDMSA-N	1	0	366.440	1.905	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cccnc2)C[C@H]1c1cn(C)cn1	ZINC001130479248	938874123	/nfs/dbraw/zinc/87/41/23/938874123.db2.gz	YRRWKMUWZWOHKA-FUHWJXTLSA-N	1	0	355.442	1.216	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@H]2C=CCC2)C[C@H]1c1cn(C)cn1	ZINC001130488367	938880393	/nfs/dbraw/zinc/88/03/93/938880393.db2.gz	UAJCUIXJELYUEP-JENIJYKNSA-N	1	0	358.486	1.863	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130524987	938891164	/nfs/dbraw/zinc/89/11/64/938891164.db2.gz	WLRKRAJGUGUGDN-FUHWJXTLSA-N	1	0	356.474	1.247	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC=C(Cl)Cl)C1	ZINC001130531761	938900561	/nfs/dbraw/zinc/90/05/61/938900561.db2.gz	FLSJNLQLJVMCDR-NTZNESFSSA-N	1	0	356.257	1.783	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCCOC)C1	ZINC001130574234	939874699	/nfs/dbraw/zinc/87/46/99/939874699.db2.gz	OTPBCAFHPKGVAR-KVSKMBFKSA-N	1	0	364.490	1.058	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2CC(C)(C)C2)C[C@H]1c1cn(C)cn1	ZINC001130576195	939879138	/nfs/dbraw/zinc/87/91/38/939879138.db2.gz	LBPGDMQUTPOPAP-FUHWJXTLSA-N	1	0	360.502	1.943	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC/C=C\CC)C1	ZINC001130587243	939887628	/nfs/dbraw/zinc/88/76/28/939887628.db2.gz	HVZPOIFKIVVRRS-LOYZYROESA-N	1	0	358.486	1.700	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@@H]2CCCCO2)C1	ZINC001130580690	939893629	/nfs/dbraw/zinc/89/36/29/939893629.db2.gz	LXKFOFUAPAJOCD-JENIJYKNSA-N	1	0	358.486	1.677	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC2=CCCCC2)C1	ZINC001130592801	939899344	/nfs/dbraw/zinc/89/93/44/939899344.db2.gz	FHRVPKLVPKZUGU-IMFGXOCKSA-N	1	0	370.497	1.843	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)CCC3)C[C@H]1c1cn(C)cn1	ZINC001130592739	939899716	/nfs/dbraw/zinc/89/97/16/939899716.db2.gz	CRHQEIPCKNKDEA-GOEBONIOSA-N	1	0	354.458	1.337	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C/C=C/Cl)C1	ZINC001130593123	939900189	/nfs/dbraw/zinc/90/01/89/939900189.db2.gz	QXJIDSLMPWCZGO-JTTAOPSZSA-N	1	0	350.850	1.095	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2OCC[C@H]2C(C)C)C[C@H]1c1cn(C)cn1	ZINC001130593216	939900290	/nfs/dbraw/zinc/90/02/90/939900290.db2.gz	VYGBMNBCXQEYAF-DKKFBQAASA-N	1	0	358.486	1.389	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C/C=C\Cl)C1	ZINC001130593122	939900342	/nfs/dbraw/zinc/90/03/42/939900342.db2.gz	QXJIDSLMPWCZGO-AIMYTGRWSA-N	1	0	350.850	1.095	20	30		FDEDRO
CC(C)OCC[NH2+][C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1c1cn(C)cn1	ZINC001130594763	939902115	/nfs/dbraw/zinc/90/21/15/939902115.db2.gz	YCQFYXLGFLCGCF-FUHWJXTLSA-N	1	0	360.502	1.779	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C[C@H]1c1cn(C)cn1	ZINC001130596428	939903324	/nfs/dbraw/zinc/90/33/24/939903324.db2.gz	ANKCEURSVWVBJI-IHEQNBGGSA-N	1	0	352.482	1.930	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+][C@@H](C)COC)C2)CCC1	ZINC001130609991	939907513	/nfs/dbraw/zinc/90/75/13/939907513.db2.gz	FCNRWXSUILRPBH-XYJFISCASA-N	1	0	358.486	1.533	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)c(F)c2)C[C@H]1c1cn(C)cn1	ZINC001130610294	939907592	/nfs/dbraw/zinc/90/75/92/939907592.db2.gz	GUVBFBBQKDFJRR-MAUKXSAKSA-N	1	0	370.428	1.789	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@H]2CCOC2)C1	ZINC001130604490	939915592	/nfs/dbraw/zinc/91/55/92/939915592.db2.gz	CNYTYTKPXCHJDX-SOLBZPMBSA-N	1	0	360.502	1.943	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2CC)C[C@H]1c1cn(C)cn1	ZINC001130622079	939920471	/nfs/dbraw/zinc/92/04/71/939920471.db2.gz	OVYQWIAIOSEJQS-MAUKXSAKSA-N	1	0	356.474	1.870	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC(C)(C)CO2)C[C@H]1c1cn(C)cn1	ZINC001130624198	939922210	/nfs/dbraw/zinc/92/22/10/939922210.db2.gz	OIGUDCCTDLFHDJ-SOLBZPMBSA-N	1	0	358.486	1.533	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3c2CCCC3)C[C@H]1c1cn(C)cn1	ZINC001130624213	939922235	/nfs/dbraw/zinc/92/22/35/939922235.db2.gz	PIRHGVHPRYWURP-MAUKXSAKSA-N	1	0	366.469	1.243	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3c2CCCC3)C[C@H]1c1cn(C)cn1	ZINC001130624411	939922298	/nfs/dbraw/zinc/92/22/98/939922298.db2.gz	VIVJXYVUYJYMAS-MAUKXSAKSA-N	1	0	366.469	1.243	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(Cl)cn2C)C[C@H]1c1cn(C)cn1	ZINC001130625978	939923678	/nfs/dbraw/zinc/92/36/78/939923678.db2.gz	FMCBXUVEPFGJBG-GOEBONIOSA-N	1	0	359.861	1.633	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3cncn3C2)C[C@H]1c1cn(C)cn1	ZINC001130616784	939928245	/nfs/dbraw/zinc/92/82/45/939928245.db2.gz	BFOOXSXFFWRKOQ-VDZJLULYSA-N	1	0	368.485	1.339	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3ccnc3C2)C[C@H]1c1cn(C)cn1	ZINC001130617249	939928827	/nfs/dbraw/zinc/92/88/27/939928827.db2.gz	WPYPHMGFERYURQ-SOLBZPMBSA-N	1	0	368.485	1.339	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccnc(OC)c2)C[C@H]1c1cn(C)cn1	ZINC001130622034	939931840	/nfs/dbraw/zinc/93/18/40/939931840.db2.gz	MDKHSAGRGZWUGM-FUHWJXTLSA-N	1	0	369.469	1.988	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130630155	939934712	/nfs/dbraw/zinc/93/47/12/939934712.db2.gz	GQFKFIFWDNLTFJ-PKOBYXMFSA-N	1	0	365.481	1.961	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cncnc2)C[C@H]1c1cn(C)cn1	ZINC001130654551	939948539	/nfs/dbraw/zinc/94/85/39/939948539.db2.gz	LTIZFYRKHYAJSA-HHXXYDBFSA-N	1	0	368.485	1.864	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOCCOC)C1	ZINC001130664285	939957334	/nfs/dbraw/zinc/95/73/34/939957334.db2.gz	LLGSLJKLJTVGPO-FUHWJXTLSA-N	1	0	364.490	1.323	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1	ZINC000806543635	939958104	/nfs/dbraw/zinc/95/81/04/939958104.db2.gz	DWVBYUFPDDJILV-UHFFFAOYSA-N	1	0	370.497	1.619	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cncn2C)C1	ZINC001130656352	939960593	/nfs/dbraw/zinc/96/05/93/939960593.db2.gz	GNWLJMKAYAHBLK-HHXXYDBFSA-N	1	0	370.501	1.840	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)CC(C)C)C[C@H]1c1cn(C)cn1	ZINC001130704104	939984677	/nfs/dbraw/zinc/98/46/77/939984677.db2.gz	DOWKWRFDXOWLOD-JENIJYKNSA-N	1	0	360.502	1.636	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(CC)c[nH]c2=O)C[C@H]1c1cn(C)cn1	ZINC001130706546	939988272	/nfs/dbraw/zinc/98/82/72/939988272.db2.gz	LLOUUGGGZFRDSN-FUHWJXTLSA-N	1	0	367.453	1.304	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnoc2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130706867	939988702	/nfs/dbraw/zinc/98/87/02/939988702.db2.gz	XSJANIXOFMINGS-DOTOQJQBSA-N	1	0	353.426	1.507	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2c(C)noc2C)C[C@H]1c1cn(C)cn1	ZINC001130695311	939990163	/nfs/dbraw/zinc/99/01/63/939990163.db2.gz	MNDPVHAGLFUFIJ-RPVQJOFSSA-N	1	0	369.469	1.736	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCCOC2)C[C@H]1c1cn(C)cn1	ZINC001130700899	939996008	/nfs/dbraw/zinc/99/60/08/939996008.db2.gz	IQKYPWKFVRIYAJ-ZIFCJYIRSA-N	1	0	358.486	1.534	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)C)C[C@H]1c1cn(C)cn1	ZINC001130715386	940008178	/nfs/dbraw/zinc/00/81/78/940008178.db2.gz	YPZOMRYKQYHRGI-IJEWVQPXSA-N	1	0	361.490	1.041	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2cnccn2)C[C@H]1c1cn(C)cn1	ZINC001130708366	940014102	/nfs/dbraw/zinc/01/41/02/940014102.db2.gz	MCJDLRJQHQEJTH-PKOBYXMFSA-N	1	0	368.485	1.693	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(F)cccc2F)C[C@H]1c1cn(C)cn1	ZINC001130719271	940022393	/nfs/dbraw/zinc/02/23/93/940022393.db2.gz	GTSWOVOYHMJYAX-SUMWQHHRSA-N	1	0	358.392	1.919	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(COC)cc2)C[C@H]1c1cn(C)cn1	ZINC001130723738	940028551	/nfs/dbraw/zinc/02/85/51/940028551.db2.gz	VTVRZZWACLMQRR-AZUAARDMSA-N	1	0	366.465	1.788	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cncnc2C(C)C)C[C@H]1c1cn(C)cn1	ZINC001130725712	940030410	/nfs/dbraw/zinc/03/04/10/940030410.db2.gz	BAUITCYPHXESMA-FUHWJXTLSA-N	1	0	366.469	1.555	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cn2ccnc2C)C[C@H]1c1cn(C)cn1	ZINC001130725764	940030590	/nfs/dbraw/zinc/03/05/90/940030590.db2.gz	CZZVOSRIEQJUDX-FUHWJXTLSA-N	1	0	356.474	1.475	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2C(C)C)C[C@H]1c1cn(C)cn1	ZINC001130726409	940031428	/nfs/dbraw/zinc/03/14/28/940031428.db2.gz	WQAHMXGTVCSYED-MAUKXSAKSA-N	1	0	368.485	1.498	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](OCC)c2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130741459	940032400	/nfs/dbraw/zinc/03/24/00/940032400.db2.gz	DBUCEEZSVBLZCN-DFQSSKMNSA-N	1	0	366.465	1.715	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130733931	940034200	/nfs/dbraw/zinc/03/42/00/940034200.db2.gz	ATPYWDPAHIDMFZ-PKOBYXMFSA-N	1	0	351.454	1.653	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCn2cc(C)cn2)C[C@H]1c1cn(C)cn1	ZINC001130734638	940035069	/nfs/dbraw/zinc/03/50/69/940035069.db2.gz	WZNFJCWMCAXIKG-PKOBYXMFSA-N	1	0	370.501	1.866	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCCC(C)C)C[C@H]1c1cn(C)cn1	ZINC001130736335	940037445	/nfs/dbraw/zinc/03/74/45/940037445.db2.gz	BOBQETIQXFLQCN-JENIJYKNSA-N	1	0	360.502	1.779	20	30		FDEDRO
CCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]Cc3ccccc3C#N)O2)n[nH]1	ZINC001130744778	940048514	/nfs/dbraw/zinc/04/85/14/940048514.db2.gz	KPOHFECUPKTGON-JKSUJKDBSA-N	1	0	368.441	1.712	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)n(C(C)C)n2)C[C@H]1c1cn(C)cn1	ZINC001130749285	940055642	/nfs/dbraw/zinc/05/56/42/940055642.db2.gz	CGVNILSOJKJCHR-QFBILLFUSA-N	1	0	368.485	1.727	20	30		FDEDRO
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c1	ZINC000806808520	940060466	/nfs/dbraw/zinc/06/04/66/940060466.db2.gz	GTXALLCHJAFWSY-XYJFISCASA-N	1	0	374.485	1.964	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](CC)OC)n2)O1	ZINC001130761971	940068243	/nfs/dbraw/zinc/06/82/43/940068243.db2.gz	KDANDLGCHVFREX-YNEHKIRRSA-N	1	0	371.869	1.408	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CSCCC)n2)O1	ZINC001130762390	940071068	/nfs/dbraw/zinc/07/10/68/940071068.db2.gz	UHFGHLJRUWSNBZ-UONOGXRCSA-N	1	0	365.503	1.397	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(C)n3C)n2)O1	ZINC001130756501	940078950	/nfs/dbraw/zinc/07/89/50/940078950.db2.gz	KNIWREMZMUPRQF-DZGCQCFKSA-N	1	0	358.446	1.377	20	30		FDEDRO
CCn1cc(NCCOCCOCC[NH3+])c2sc(C#N)cc2c1=O	ZINC001170513342	940093491	/nfs/dbraw/zinc/09/34/91/940093491.db2.gz	JKHBHUURONGARA-UHFFFAOYSA-N	1	0	350.444	1.358	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCCOCC)n2)O1	ZINC001130767857	940102914	/nfs/dbraw/zinc/10/29/14/940102914.db2.gz	UYYAEMDYFAGTNZ-LSDHHAIUSA-N	1	0	365.478	1.623	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000822900798	945301327	/nfs/dbraw/zinc/30/13/27/945301327.db2.gz	RDTVWJSWZLFBDK-RTBURBONSA-N	1	0	370.497	1.481	20	30		FDEDRO
CCOC(=O)C1=C(Nc2nccc(/C=N/O)c2C(OC)OC)CC[NH2+]C1	ZINC001170513854	940118656	/nfs/dbraw/zinc/11/86/56/940118656.db2.gz	DFZXKDGIKSASDL-AWQFTUOYSA-N	1	0	364.402	1.404	20	30		FDEDRO
C=CC(C)(C)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1	ZINC001130785416	940120290	/nfs/dbraw/zinc/12/02/90/940120290.db2.gz	LOLSLBWISRIBSS-QWHCGFSZSA-N	1	0	353.442	1.802	20	30		FDEDRO
C#CCCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCF)O2)n[nH]1	ZINC001130777025	940127765	/nfs/dbraw/zinc/12/77/65/940127765.db2.gz	SBXXELMSWGHBMW-LSDHHAIUSA-N	1	0	365.453	1.784	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)CC(=C)C)n2)O1	ZINC001130796127	940149613	/nfs/dbraw/zinc/14/96/13/940149613.db2.gz	JGADNLFTQMVSGH-OWCLPIDISA-N	1	0	359.474	1.856	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCOC)O2)n[nH]1	ZINC001130796085	940150235	/nfs/dbraw/zinc/15/02/35/940150235.db2.gz	HTQRNPXEIASSIL-QLFBSQMISA-N	1	0	365.478	1.479	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3[nH]c(C)cc3C)n2)O1	ZINC001130790046	940161583	/nfs/dbraw/zinc/16/15/83/940161583.db2.gz	FPBOCUOJQUSDPM-LSDHHAIUSA-N	1	0	370.457	1.513	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCCC34CC4)n2)O1	ZINC001130790417	940164264	/nfs/dbraw/zinc/16/42/64/940164264.db2.gz	YWVASBHTGZRKOD-SOUVJXGZSA-N	1	0	357.458	1.444	20	30		FDEDRO
CCOC(=O)C1C[NH2+]CC=C1Nc1nc(Cl)nc2c(C#N)cccc12	ZINC001170514266	940165887	/nfs/dbraw/zinc/16/58/87/940165887.db2.gz	ZDFCVJCIZOQAAE-UHFFFAOYSA-N	1	0	357.801	1.799	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3c[nH]nc3C(C)C)n2)O1	ZINC001130792422	940169911	/nfs/dbraw/zinc/16/99/11/940169911.db2.gz	DFJQOYLXBWVNGU-GXTWGEPZSA-N	1	0	371.445	1.024	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H]3C[C@H]3C3CC3)n2)O1	ZINC001130792707	940171775	/nfs/dbraw/zinc/17/17/75/940171775.db2.gz	TUECOUAGKGDAJD-LUKYLMHMSA-N	1	0	371.485	1.690	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)C(CC)CC)n2)O1	ZINC001130792679	940172057	/nfs/dbraw/zinc/17/20/57/940172057.db2.gz	REZACBWBMHBMOV-CWRNSKLLSA-N	1	0	361.490	1.936	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cccnc3C)n2)O1	ZINC001130799531	940193132	/nfs/dbraw/zinc/19/31/32/940193132.db2.gz	LJTGRYVIJXEMKR-GOEBONIOSA-N	1	0	368.441	1.271	20	30		FDEDRO
CC#CCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC#CC)O2)n[nH]1	ZINC001130802140	940196107	/nfs/dbraw/zinc/19/61/07/940196107.db2.gz	DXKBSWOUQRPQMX-JKSUJKDBSA-N	1	0	357.458	1.448	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)CC(C)C)n2)O1	ZINC001130816025	940217514	/nfs/dbraw/zinc/21/75/14/940217514.db2.gz	JXKBEFXHWWLUJG-HRCADAONSA-N	1	0	361.490	1.936	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(F)s3)n2)O1	ZINC001130820319	940227469	/nfs/dbraw/zinc/22/74/69/940227469.db2.gz	SQTHJQNWWLIXMY-WDEREUQCSA-N	1	0	365.434	1.931	20	30		FDEDRO
C#CCC[C@@H](O)CNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000807253629	940287008	/nfs/dbraw/zinc/28/70/08/940287008.db2.gz	BQNBXGSCUXSRFT-QGZVFWFLSA-N	1	0	359.470	1.733	20	30		FDEDRO
CCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001130897863	940301502	/nfs/dbraw/zinc/30/15/02/940301502.db2.gz	OSDNWAJHWJXAPH-QZTJIDSGSA-N	1	0	367.453	1.412	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)/C=C(/C)C2CC2)C[C@H]1c1cncn1C	ZINC001130925118	940321909	/nfs/dbraw/zinc/32/19/09/940321909.db2.gz	SGWGVVPCUKMELV-TXTZYTMVSA-N	1	0	356.470	1.310	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCn2cccn2)C[C@H]1c1cncn1C	ZINC001130915915	940325008	/nfs/dbraw/zinc/32/50/08/940325008.db2.gz	RIALEHAZYNOWPF-IAGOWNOFSA-N	1	0	356.474	1.557	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCCO2)C[C@H]1c1cncn1C	ZINC001130916243	940325539	/nfs/dbraw/zinc/32/55/39/940325539.db2.gz	YSCVSBSMHQNVHI-GVDBMIGSSA-N	1	0	362.474	1.076	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(=O)N[C@@H](C)CC)C1	ZINC001130935673	940331595	/nfs/dbraw/zinc/33/15/95/940331595.db2.gz	GCZQJQCAJPWXQG-ARFHVFGLSA-N	1	0	361.490	1.185	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N	ZINC000807394623	940333361	/nfs/dbraw/zinc/33/33/61/940333361.db2.gz	VKPHIGHEGGOCRL-GJZGRUSLSA-N	1	0	358.442	1.907	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2ccon2)C[C@H]1c1cncn1C	ZINC001130948239	940346746	/nfs/dbraw/zinc/34/67/46/940346746.db2.gz	BEHDHWFRHLICRW-DJIMGWMZSA-N	1	0	357.458	1.890	20	30		FDEDRO
COCCCC[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1c1cncn1C	ZINC001130951504	940371139	/nfs/dbraw/zinc/37/11/39/940371139.db2.gz	LCBOITZJVLYELT-NVXWUHKLSA-N	1	0	370.457	1.244	20	30		FDEDRO
CCOCCC[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1c1cncn1C	ZINC001130951901	940371492	/nfs/dbraw/zinc/37/14/92/940371492.db2.gz	VVBKZBGHXUKDJO-NVXWUHKLSA-N	1	0	370.457	1.244	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1c1cncn1C	ZINC001130975638	940403576	/nfs/dbraw/zinc/40/35/76/940403576.db2.gz	JACJQTJAPSRPBU-RRFJBIMHSA-N	1	0	357.462	1.101	20	30		FDEDRO
CCOCCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1c1cncn1C	ZINC001130975790	940404063	/nfs/dbraw/zinc/40/40/63/940404063.db2.gz	QXYQTUAWWRYDOR-IAGOWNOFSA-N	1	0	370.457	1.244	20	30		FDEDRO
Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1c1cncn1C	ZINC001130991381	940414194	/nfs/dbraw/zinc/41/41/94/940414194.db2.gz	GOEKVESDMOFIJK-QZTJIDSGSA-N	1	0	368.485	1.206	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOCCOC)C1	ZINC001131002041	940428534	/nfs/dbraw/zinc/42/85/34/940428534.db2.gz	YNWMTSGJTQFAMH-IAGOWNOFSA-N	1	0	364.490	1.323	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1	ZINC001131001791	940428538	/nfs/dbraw/zinc/42/85/38/940428538.db2.gz	OIFUHWFPRQHFEI-BZUAXINKSA-N	1	0	361.490	1.137	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1c1cncn1C	ZINC001131006163	940432631	/nfs/dbraw/zinc/43/26/31/940432631.db2.gz	OFTJHGKARJBOKW-HZPDHXFCSA-N	1	0	364.465	1.789	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC(=C)C)C2)CCOCC1	ZINC001131007581	940433866	/nfs/dbraw/zinc/43/38/66/940433866.db2.gz	BCYDKBKXSZLMHW-QZTJIDSGSA-N	1	0	370.497	1.700	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2nc(C)sc2C)C[C@H]1c1cncn1C	ZINC001131017758	940438631	/nfs/dbraw/zinc/43/86/31/940438631.db2.gz	JUQHIPDPVZKNQH-HUUCEWRRSA-N	1	0	357.483	1.715	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC23CC3)C[C@H]1c1cncn1C	ZINC001131018050	940439134	/nfs/dbraw/zinc/43/91/34/940439134.db2.gz	ZCYHFRGLJLUJDT-FGTMMUONSA-N	1	0	370.497	1.534	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)CC(F)F)C[C@H]1c1cncn1C	ZINC001131030805	940450588	/nfs/dbraw/zinc/45/05/88/940450588.db2.gz	AEMDSOVJMWPLBM-RRFJBIMHSA-N	1	0	370.444	1.798	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccn3nccc23)C[C@H]1c1cncn1C	ZINC001131022829	940456437	/nfs/dbraw/zinc/45/64/37/940456437.db2.gz	IIYWRWMQYLDFDM-IAGOWNOFSA-N	1	0	362.437	1.289	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2nc(C)c(C)nc2C)C[C@H]1c1cncn1C	ZINC001131026033	940459427	/nfs/dbraw/zinc/45/94/27/940459427.db2.gz	QLYHYSZRDBVPPZ-IAGOWNOFSA-N	1	0	366.469	1.356	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2cncc(C)c2)C[C@H]1c1cncn1C	ZINC001131029019	940463949	/nfs/dbraw/zinc/46/39/49/940463949.db2.gz	WOZNSUKBTROANY-RTBURBONSA-N	1	0	365.481	1.664	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2(C)CC=CC2)C[C@H]1c1cncn1C	ZINC001131059899	940478921	/nfs/dbraw/zinc/47/89/21/940478921.db2.gz	OKDHUUSEYCFQMG-IAGOWNOFSA-N	1	0	358.486	1.863	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOCC(F)F)C1	ZINC001131060150	940478988	/nfs/dbraw/zinc/47/89/88/940478988.db2.gz	WPVYCVXCPYRQFA-HUUCEWRRSA-N	1	0	370.444	1.942	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc[nH]c2CCC)C[C@H]1c1cncn1C	ZINC001131051653	940480219	/nfs/dbraw/zinc/48/02/19/940480219.db2.gz	RVBNDOSIIATXKK-SJLPKXTDSA-N	1	0	353.470	1.922	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@]23C[C@@H]2CCCC3)C[C@H]1c1cncn1C	ZINC001131066817	940482487	/nfs/dbraw/zinc/48/24/87/940482487.db2.gz	LIUHBYJJQOEYBU-OOSNJVJTSA-N	1	0	370.497	1.534	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC[C@H](C)F)C2)c1	ZINC001131068320	940483340	/nfs/dbraw/zinc/48/33/40/940483340.db2.gz	YSCKWICCMJOJAU-BMGDILEWSA-N	1	0	369.444	1.742	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn(CCC)c2)C[C@H]1c1cncn1C	ZINC001131083795	940488975	/nfs/dbraw/zinc/48/89/75/940488975.db2.gz	BJLGDXSBINRSFN-IAGOWNOFSA-N	1	0	354.458	1.248	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COCc2ccccc2C)C[C@H]1c1cncn1C	ZINC001131086501	940493539	/nfs/dbraw/zinc/49/35/39/940493539.db2.gz	QQYQSXJEEODIAS-RTBURBONSA-N	1	0	366.465	1.463	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)c(C)c2)C[C@H]1c1cncn1C	ZINC001131089355	940494533	/nfs/dbraw/zinc/49/45/33/940494533.db2.gz	BYWOTTHHEWTUGV-QZTJIDSGSA-N	1	0	366.465	1.958	20	30		FDEDRO
COc1ccc(CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1C#N	ZINC000747433545	940495971	/nfs/dbraw/zinc/49/59/71/940495971.db2.gz	XTJOWIZXKNUJHT-MRXNPFEDSA-N	1	0	358.442	1.431	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@H]1c1cncn1C	ZINC001131110511	940498410	/nfs/dbraw/zinc/49/84/10/940498410.db2.gz	RCDJWYWLBCHWRU-CHWSQXEVSA-N	1	0	356.392	1.916	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)cc2)C[C@H]1c1cncn1C	ZINC001131112596	940498987	/nfs/dbraw/zinc/49/89/87/940498987.db2.gz	IABRWJGCQSIURK-RTBURBONSA-N	1	0	366.465	1.576	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)cc2)C[C@H]1c1cncn1C	ZINC001131113117	940499212	/nfs/dbraw/zinc/49/92/12/940499212.db2.gz	UMBDMZXILDAAPH-QZTJIDSGSA-N	1	0	352.438	1.650	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2cnn(CC)c2)C[C@H]1c1cncn1C	ZINC001131105550	940501585	/nfs/dbraw/zinc/50/15/85/940501585.db2.gz	ACACSZBPYKZMAS-IAGOWNOFSA-N	1	0	356.474	1.339	20	30		FDEDRO
CCCCCCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(N)=O)C1	ZINC001131115712	940503799	/nfs/dbraw/zinc/50/37/99/940503799.db2.gz	WALJJNZSECZEQP-HZPDHXFCSA-N	1	0	363.506	1.540	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cncnc2C2CC2)C[C@H]1c1cncn1C	ZINC001131117878	940504651	/nfs/dbraw/zinc/50/46/51/940504651.db2.gz	WYHXPKZDNKVBTI-IAGOWNOFSA-N	1	0	366.469	1.861	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccccc2F)C[C@H]1c1cncn1C	ZINC001131117767	940504695	/nfs/dbraw/zinc/50/46/95/940504695.db2.gz	QWOMLUZDTABADT-SJLPKXTDSA-N	1	0	354.429	1.709	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2c(C)n[nH]c2C)C[C@H]1c1cncn1C	ZINC001131123533	940507030	/nfs/dbraw/zinc/50/70/30/940507030.db2.gz	KBQKFKMDOVIVOU-QZTJIDSGSA-N	1	0	368.485	1.300	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ncc3n2CCCC3)C[C@H]1c1cncn1C	ZINC001131125793	940507884	/nfs/dbraw/zinc/50/78/84/940507884.db2.gz	MTQIYLOBXPYZMB-IAGOWNOFSA-N	1	0	366.469	1.174	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cncnc2C(C)C)C[C@H]1c1cncn1C	ZINC001131126198	940508103	/nfs/dbraw/zinc/50/81/03/940508103.db2.gz	VYNLQCUEKFLXFH-IAGOWNOFSA-N	1	0	366.469	1.555	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1c1cncn1C	ZINC001131138469	940509366	/nfs/dbraw/zinc/50/93/66/940509366.db2.gz	CZOZRAQJYLHGBV-ARFHVFGLSA-N	1	0	361.490	1.314	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(C)s2)C[C@H]1c1cncn1C	ZINC001131128194	940509866	/nfs/dbraw/zinc/50/98/66/940509866.db2.gz	WAIJYAYBDNQAKK-IAGOWNOFSA-N	1	0	356.495	1.940	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2csc(CC)n2)C[C@H]1c1cncn1C	ZINC001131127998	940509878	/nfs/dbraw/zinc/50/98/78/940509878.db2.gz	PZVGKAIEQMDQMV-HZPDHXFCSA-N	1	0	371.510	1.589	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)C2CC2)C[C@H]1c1cncn1C	ZINC001131130578	940511243	/nfs/dbraw/zinc/51/12/43/940511243.db2.gz	UBEPQTCQLKBFEQ-KBAYOESNSA-N	1	0	358.486	1.390	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)/C=C/c3ccccc3C#N)CC2)C1=O	ZINC000808139298	940521620	/nfs/dbraw/zinc/52/16/20/940521620.db2.gz	CLGPZYIGBFMXCX-IPLHWJFFSA-N	1	0	352.438	1.383	20	30		FDEDRO
C=CCOc1ccc(/C=C/C(=O)N[C@@H](CO)C[NH+]2CCCC2)cc1OC	ZINC000808217844	940528978	/nfs/dbraw/zinc/52/89/78/940528978.db2.gz	DSZIPAWXABWFQD-UGAXZCSASA-N	1	0	360.454	1.846	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCSCC)C1	ZINC001131300804	940546649	/nfs/dbraw/zinc/54/66/49/940546649.db2.gz	DWMPMYYSGIASDX-OAGGEKHMSA-N	1	0	367.515	1.812	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)COCCC)C1	ZINC001131307001	940548697	/nfs/dbraw/zinc/54/86/97/940548697.db2.gz	FHSUDZLTLVIBTL-BBWFWOEESA-N	1	0	365.474	1.485	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)COC(C)C)C1	ZINC001131306948	940548791	/nfs/dbraw/zinc/54/87/91/940548791.db2.gz	CWFJDHWSHLJCPS-XHSDSOJGSA-N	1	0	351.447	1.093	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CC4CCC4)C[C@H]32)C1	ZINC001131307444	940549272	/nfs/dbraw/zinc/54/92/72/940549272.db2.gz	TZVLNXIYWUYILX-KURKYZTESA-N	1	0	359.470	1.696	20	30		FDEDRO
C=C(C)CCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCCOC)C[C@H]32)C1	ZINC001131310163	940549781	/nfs/dbraw/zinc/54/97/81/940549781.db2.gz	JVWSXHOGKHSMMP-BBWFWOEESA-N	1	0	365.474	1.485	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](C(C)C)C[C@H]32)C1	ZINC001131322991	940551779	/nfs/dbraw/zinc/55/17/79/940551779.db2.gz	JWHVZRQWOHNDLU-OAGGEKHMSA-N	1	0	351.447	1.093	20	30		FDEDRO
CN1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)C1	ZINC001086664688	940551899	/nfs/dbraw/zinc/55/18/99/940551899.db2.gz	AFJZZPAWDGATGY-VBQJREDUSA-N	1	0	362.499	1.325	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC[C@@H](C)O2)CC1	ZINC001131383756	940559452	/nfs/dbraw/zinc/55/94/52/940559452.db2.gz	YOFMVRHEUULGHW-GVDBMIGSSA-N	1	0	351.491	1.559	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)cn1	ZINC001086668041	940565298	/nfs/dbraw/zinc/56/52/98/940565298.db2.gz	FHZZMTPMJCLVNE-XJKSGUPXSA-N	1	0	353.426	1.978	20	30		FDEDRO
C[C@H](O)CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CSCC#N)CC1	ZINC001131429791	940567494	/nfs/dbraw/zinc/56/74/94/940567494.db2.gz	XPEVGBDVKGUVFW-LESCRADOSA-N	1	0	369.531	1.390	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(N)=O)CC1	ZINC001131419042	940568110	/nfs/dbraw/zinc/56/81/10/940568110.db2.gz	NFMHTQHWHIVASN-AEFFLSMTSA-N	1	0	368.522	1.611	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2occc2C)CC1	ZINC001131419212	940568177	/nfs/dbraw/zinc/56/81/77/940568177.db2.gz	WJFUYFJFEDSHAV-MJGOQNOKSA-N	1	0	360.454	1.837	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ncoc2C)CC1	ZINC001131439225	940587957	/nfs/dbraw/zinc/58/79/57/940587957.db2.gz	ADOVFCPQNOASCC-AEFFLSMTSA-N	1	0	361.442	1.232	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1)c1nnnn1C1CC1	ZINC001086669119	940597028	/nfs/dbraw/zinc/59/70/28/940597028.db2.gz	PPCQLXROCXPWMI-SGMGOOAPSA-N	1	0	368.445	1.457	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCCOC)CC1	ZINC001131448493	940601301	/nfs/dbraw/zinc/60/13/01/940601301.db2.gz	BZUVAFANVRMEGX-QUCCMNQESA-N	1	0	368.518	1.991	20	30		FDEDRO
C=CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(=O)N(C)C)CC1	ZINC001131448851	940602881	/nfs/dbraw/zinc/60/28/81/940602881.db2.gz	UIKBBJFWOBYWII-KYJSFNMBSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccn(C)c2)CC1	ZINC001131476029	940619064	/nfs/dbraw/zinc/61/90/64/940619064.db2.gz	OHDRKVAHHBTOEG-MOPGFXCFSA-N	1	0	361.486	1.827	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CN(C)CCO2)CC1	ZINC001131461599	940619910	/nfs/dbraw/zinc/61/99/10/940619910.db2.gz	RCVLLEZYEUPLTE-QRVBRYPASA-N	1	0	365.518	1.269	20	30		FDEDRO
C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCC[C@H](C)O)CC1	ZINC001131461899	940620652	/nfs/dbraw/zinc/62/06/52/940620652.db2.gz	WBLCLHNMRMFDKU-WDYCEAGBSA-N	1	0	354.491	1.336	20	30		FDEDRO
CC[C@@H](C)OCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC#CCOC)CC1	ZINC001131470889	940626480	/nfs/dbraw/zinc/62/64/80/940626480.db2.gz	XWAFPEOHQQDTSG-POAQFYNOSA-N	1	0	366.502	1.437	20	30		FDEDRO
C#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2nnc(C)[nH]2)CC1	ZINC001131487962	940631714	/nfs/dbraw/zinc/63/17/14/940631714.db2.gz	PGPBADPOBKBSFF-APWZRJJASA-N	1	0	359.474	1.402	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCCOC)CC1	ZINC001131482894	940638388	/nfs/dbraw/zinc/63/83/88/940638388.db2.gz	DGZVACSZICGCHL-YZGWKJHDSA-N	1	0	368.518	1.726	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1	ZINC001131494248	940645611	/nfs/dbraw/zinc/64/56/11/940645611.db2.gz	KRJFEOJANMSROF-JQHSSLGASA-N	1	0	359.470	1.173	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CO[C@@H]2CCOC2)CC1	ZINC001131496410	940647923	/nfs/dbraw/zinc/64/79/23/940647923.db2.gz	ZLCQJFLBGBTAJZ-GGPKGHCWSA-N	1	0	366.502	1.744	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn3c(n2)CCC3)CC1	ZINC001131499947	940650716	/nfs/dbraw/zinc/65/07/16/940650716.db2.gz	AODOENFWJCLSEQ-APWZRJJASA-N	1	0	356.470	1.452	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(C)nnc2C)CC1	ZINC001131503316	940653488	/nfs/dbraw/zinc/65/34/88/940653488.db2.gz	XTJWVXZXAVDLGB-MOPGFXCFSA-N	1	0	356.470	1.716	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2nn(C)cc2Cl)CC1	ZINC001131503143	940653513	/nfs/dbraw/zinc/65/35/13/940653513.db2.gz	UCURDEIYENJERI-WBVHZDCISA-N	1	0	364.877	1.696	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c(C)[nH]nc2Cl)CC1	ZINC001131510686	940660350	/nfs/dbraw/zinc/66/03/50/940660350.db2.gz	XCPQVFZACJQFLT-ZBFHGGJFSA-N	1	0	364.877	1.994	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn(C)c(C)cc2=O)CC1	ZINC001131517086	940684497	/nfs/dbraw/zinc/68/44/97/940684497.db2.gz	JNXCSBYZMMIIKS-QUCCMNQESA-N	1	0	371.481	1.316	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CCCCC2=O)CC1	ZINC001131528118	940697844	/nfs/dbraw/zinc/69/78/44/940697844.db2.gz	LVDDMHBCVKXTLS-XLIONFOSSA-N	1	0	361.486	1.008	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(=O)[nH]c(CC)c2)CC1	ZINC001131528427	940698484	/nfs/dbraw/zinc/69/84/84/940698484.db2.gz	WIRJXVITTGOLIZ-QUCCMNQESA-N	1	0	371.481	1.972	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ncc3ccccn32)CC1	ZINC001131531955	940701235	/nfs/dbraw/zinc/70/12/35/940701235.db2.gz	RCRVCSHAZUUPQI-MOPGFXCFSA-N	1	0	366.465	1.957	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCn3nccc32)CC1	ZINC001131522296	940705154	/nfs/dbraw/zinc/70/51/54/940705154.db2.gz	AWIVHRMAUZXVOP-GGPKGHCWSA-N	1	0	370.497	1.770	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCOCC(F)(F)F)CC1	ZINC001131522772	940706476	/nfs/dbraw/zinc/70/64/76/940706476.db2.gz	YPQPFGGZZCZJHH-ZBFHGGJFSA-N	1	0	362.392	1.574	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn(C)nc2OC)CC1	ZINC001131538850	940726690	/nfs/dbraw/zinc/72/66/90/940726690.db2.gz	WXKXSFAOKQSISI-SJORKVTESA-N	1	0	360.458	1.051	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2cnoc2)CC1	ZINC001131550298	940739006	/nfs/dbraw/zinc/73/90/06/940739006.db2.gz	SCPFHBHBTOJYSB-MJGOQNOKSA-N	1	0	363.458	1.405	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn(CCC)c2)CC1	ZINC001131572960	940748676	/nfs/dbraw/zinc/74/86/76/940748676.db2.gz	OYIDZHQKCDTCLK-MOPGFXCFSA-N	1	0	358.486	1.916	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC)CC1	ZINC001131575003	940752125	/nfs/dbraw/zinc/75/21/25/940752125.db2.gz	OUFBLUMVVQSWTR-SQNIBIBYSA-N	1	0	351.491	1.463	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCc3nc[nH]c3C2)CC1	ZINC001131590451	940759822	/nfs/dbraw/zinc/75/98/22/940759822.db2.gz	BNEHJZYGMGCIMO-HQRMLTQVSA-N	1	0	370.497	1.524	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H](C)n2cccn2)CC1	ZINC001131590543	940760286	/nfs/dbraw/zinc/76/02/86/940760286.db2.gz	HZVJYWODQQDTBE-HQRMLTQVSA-N	1	0	358.486	1.843	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn(C(F)F)c2)CC1	ZINC001131583188	940769463	/nfs/dbraw/zinc/76/94/63/940769463.db2.gz	UPZBKGQCPFJGPC-CVEARBPZSA-N	1	0	366.412	1.901	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@]2(C)CCOC2)CC1	ZINC001131583267	940769988	/nfs/dbraw/zinc/76/99/88/940769988.db2.gz	YTZGGABRLZBCQT-HBFSDRIKSA-N	1	0	366.502	1.601	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)CCOC)CC1	ZINC001131606756	940776536	/nfs/dbraw/zinc/77/65/36/940776536.db2.gz	DRICXSDMXLOZJI-QRQLOZEOSA-N	1	0	368.518	1.847	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCC(=O)NCCC)CC1	ZINC001131595046	940777551	/nfs/dbraw/zinc/77/75/51/940777551.db2.gz	MGCGGRNKDXZYIG-XLIONFOSSA-N	1	0	363.502	1.302	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](CC(C)C)NC(C)=O)CC1	ZINC001131595386	940778268	/nfs/dbraw/zinc/77/82/68/940778268.db2.gz	WMTPTIFDHQWOPY-QRVBRYPASA-N	1	0	365.518	1.709	20	30		FDEDRO
CCCCCCC[NH2+]CCNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	ZINC001131614160	940793146	/nfs/dbraw/zinc/79/31/46/940793146.db2.gz	ZXSQJPUOJDHSRT-MSOLQXFVSA-N	1	0	355.523	1.542	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC23CCOCC3)CC1	ZINC001131617529	940794688	/nfs/dbraw/zinc/79/46/88/940794688.db2.gz	ULBUZDWCZNSRTE-QRVBRYPASA-N	1	0	360.498	1.812	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)c2cnn(C)c2)CC1	ZINC001131621080	940796537	/nfs/dbraw/zinc/79/65/37/940796537.db2.gz	PGZOYGHRQTYEMG-IPELMVKDSA-N	1	0	358.486	1.533	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N(CC[NH+](CC)CC)CC(C)C)[C@@H]1CCCO1	ZINC000809304772	940809360	/nfs/dbraw/zinc/80/93/60/940809360.db2.gz	QATPIHBEQZEDNM-IRXDYDNUSA-N	1	0	351.491	1.110	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)nn1	ZINC001086676577	940948851	/nfs/dbraw/zinc/94/88/51/940948851.db2.gz	JXJICTVVZLLMGL-GXTWGEPZSA-N	1	0	354.414	1.373	20	30		FDEDRO
CC1CCN(C(=O)C[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)CC1	ZINC001086676669	940949042	/nfs/dbraw/zinc/94/90/42/940949042.db2.gz	PFMQJIGWWQPDOI-DOTOQJQBSA-N	1	0	371.485	1.633	20	30		FDEDRO
CC(C)(C)n1ncnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1	ZINC001086676729	940949183	/nfs/dbraw/zinc/94/91/83/940949183.db2.gz	RWCWLSSLFJKYBN-DZGCQCFKSA-N	1	0	369.473	1.921	20	30		FDEDRO
CCn1nnc(C)c1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1	ZINC001086676772	940949202	/nfs/dbraw/zinc/94/92/02/940949202.db2.gz	UXBPESWCTPKYCY-DZGCQCFKSA-N	1	0	355.446	1.495	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@H]1O	ZINC001090503686	940954752	/nfs/dbraw/zinc/95/47/52/940954752.db2.gz	FTEWLKVWOYATTK-NXEZZACHSA-N	1	0	371.894	1.064	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)C1	ZINC001086698415	941166120	/nfs/dbraw/zinc/16/61/20/941166120.db2.gz	CYQXXOGRLLGLOD-WTLGNFPFSA-N	1	0	368.481	1.847	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)NCCc2ccccc2C)CC1	ZINC000747818423	941273282	/nfs/dbraw/zinc/27/32/82/941273282.db2.gz	QURRYALNKWCHDP-QGZVFWFLSA-N	1	0	355.482	1.504	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(=O)N(C)Cc2ccc(CC)cc2)CC1	ZINC000747820186	941274697	/nfs/dbraw/zinc/27/46/97/941274697.db2.gz	MIHMUGCMFYLHEW-UHFFFAOYSA-N	1	0	355.482	1.669	20	30		FDEDRO
C#CCNC(=O)C1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1	ZINC000747822823	941279419	/nfs/dbraw/zinc/27/94/19/941279419.db2.gz	GSMJGYDTSBCYFH-UHFFFAOYSA-N	1	0	358.398	1.303	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NCc1ccc(C)cc1	ZINC001134062086	941540833	/nfs/dbraw/zinc/54/08/33/941540833.db2.gz	QQMKJGJFYJOQNL-NXHRZFHOSA-N	1	0	359.470	1.297	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1C	ZINC001134062225	941540965	/nfs/dbraw/zinc/54/09/65/941540965.db2.gz	SWLSPAUCPXCLTH-JZXOWHBKSA-N	1	0	359.470	1.927	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NCc1ccc(F)cc1	ZINC001134062419	941541269	/nfs/dbraw/zinc/54/12/69/941541269.db2.gz	ZZYFPKMXDFJCPL-XKQJLSEDSA-N	1	0	363.433	1.127	20	30		FDEDRO
COc1ccc(NC(=S)NN=C2CC[NH+](CC(C)(C)O)CC2)cn1	ZINC000814222053	941591631	/nfs/dbraw/zinc/59/16/31/941591631.db2.gz	WKUSBKCVHBJXGO-UHFFFAOYSA-N	1	0	351.476	1.599	20	30		FDEDRO
CC(C)(O)C[NH+]1CCC(=NNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000814223526	941592837	/nfs/dbraw/zinc/59/28/37/941592837.db2.gz	JEVINIWCSXILAY-UHFFFAOYSA-N	1	0	370.431	1.096	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CC1	ZINC000747976849	941723256	/nfs/dbraw/zinc/72/32/56/941723256.db2.gz	JXAPMXFPCQYIIZ-GOSISDBHSA-N	1	0	362.518	1.668	20	30		FDEDRO
C[NH+](C)CCCNC(=S)NN=C1CC2(C1)CN(C(=O)OC(C)(C)C)C2	ZINC000814845733	941730338	/nfs/dbraw/zinc/73/03/38/941730338.db2.gz	UBZYSPHJJUCHON-UHFFFAOYSA-N	1	0	369.535	1.789	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@H]1CCN(CC)[C@@H]1c1cc(F)c(F)c(F)c1	ZINC000815111713	941779934	/nfs/dbraw/zinc/77/99/34/941779934.db2.gz	FRSRRTSYCSNVAS-MAUKXSAKSA-N	1	0	353.388	1.968	20	30		FDEDRO
COC(OC)c1c(C#C[Si](C)(C)C)ccnc1N[C@@H]1C[NH2+]C[C@@H]1CO	ZINC001170779198	941802855	/nfs/dbraw/zinc/80/28/55/941802855.db2.gz	WOBLVOCUJTYJGH-HUUCEWRRSA-N	1	0	363.534	1.594	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCC[N@@H+]2CC(=O)NCC#N)C1	ZINC000815204752	941803829	/nfs/dbraw/zinc/80/38/29/941803829.db2.gz	ZLZVJMWWMWQJHO-GJZGRUSLSA-N	1	0	350.463	1.738	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCC(C)CC1	ZINC001135058046	941874263	/nfs/dbraw/zinc/87/42/63/941874263.db2.gz	BLWFVXAROJSQFM-WMZOPIPTSA-N	1	0	351.491	1.322	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]Cc1cccc(S(C)(=O)=O)c1	ZINC001135142505	941927819	/nfs/dbraw/zinc/92/78/19/941927819.db2.gz	YGTGDVMKXUBQQJ-IRXDYDNUSA-N	1	0	366.483	1.277	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCc1ccccc1F	ZINC001135145399	941929162	/nfs/dbraw/zinc/92/91/62/941929162.db2.gz	GVZLNWOZXJFEIU-YJBOKZPZSA-N	1	0	363.433	1.129	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(OC)c2cccnc12	ZINC000815860250	941996217	/nfs/dbraw/zinc/99/62/17/941996217.db2.gz	CRTAJGUJHQUEKN-UHFFFAOYSA-N	1	0	354.410	1.253	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCNC(=O)C1CC1	ZINC001170840731	942314829	/nfs/dbraw/zinc/31/48/29/942314829.db2.gz	AKHFQNZJAJSCNF-JQHSSLGASA-N	1	0	365.518	1.758	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)ccc1F	ZINC000816949836	942397998	/nfs/dbraw/zinc/39/79/98/942397998.db2.gz	GGPLKJAERHTIEU-HIFRSBDPSA-N	1	0	367.446	1.066	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnnn3CC)C2)cc1	ZINC001086773795	942462187	/nfs/dbraw/zinc/46/21/87/942462187.db2.gz	GMIREBPNZLNZHA-FUHWJXTLSA-N	1	0	351.454	1.968	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3c(C)cnn3C)C2)C1=O	ZINC001086780816	942481813	/nfs/dbraw/zinc/48/18/13/942481813.db2.gz	NRBSVGOXGXOLFO-XHSDSOJGSA-N	1	0	359.474	1.004	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(c3cncc(C#N)n3)C2)CC1	ZINC000817117297	942557391	/nfs/dbraw/zinc/55/73/91/942557391.db2.gz	BDURKCBPPNBTQU-OAHLLOKOSA-N	1	0	358.446	1.480	20	30		FDEDRO
Cn1c(=O)cccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001086798828	942623287	/nfs/dbraw/zinc/62/32/87/942623287.db2.gz	JUNPLZCUICDSBZ-MAUKXSAKSA-N	1	0	364.449	1.945	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cn(C(C)C)nn3)C2)c1	ZINC001086798553	942635171	/nfs/dbraw/zinc/63/51/71/942635171.db2.gz	SZVVZXHTZSPGKW-FUHWJXTLSA-N	1	0	366.469	1.924	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3[nH]c(C)nc3C)C2)C1=O	ZINC001086805320	942778300	/nfs/dbraw/zinc/77/83/00/942778300.db2.gz	KLFXCYAFJSOJMQ-ARFHVFGLSA-N	1	0	359.474	1.302	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H](ONC(=O)OC(C)(C)C)C(C)C)CC1	ZINC000817615195	942858181	/nfs/dbraw/zinc/85/81/81/942858181.db2.gz	PXHACCLFOAJLRD-INIZCTEOSA-N	1	0	367.490	1.929	20	30		FDEDRO
CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N	ZINC000817779880	942947603	/nfs/dbraw/zinc/94/76/03/942947603.db2.gz	HBAGZZWKSKBZKE-ILXRZTDVSA-N	1	0	365.478	1.481	20	30		FDEDRO
C#Cc1cccc(NC(=O)NC(=O)CN2CCOC3(CC[NH+](C)CC3)C2)c1	ZINC001195453911	970950396	/nfs/dbraw/zinc/95/03/96/970950396.db2.gz	ZBBFYLWHNOQWHU-UHFFFAOYSA-N	1	0	370.453	1.113	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1	ZINC000817845196	943008276	/nfs/dbraw/zinc/00/82/76/943008276.db2.gz	DFNRNNSXCRFDQQ-UHFFFAOYSA-N	1	0	353.466	1.761	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1cc(Cl)c(-n2cnnn2)cc1OC	ZINC000818612397	943301193	/nfs/dbraw/zinc/30/11/93/943301193.db2.gz	YODLYXDLIIJSGO-UHFFFAOYSA-N	1	0	362.821	1.009	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2	ZINC000818615373	943303363	/nfs/dbraw/zinc/30/33/63/943303363.db2.gz	LMFZYSLJJVJIMF-INIZCTEOSA-N	1	0	371.437	1.091	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCc2nc(C)nc(C(F)(F)F)c2C1	ZINC000818615152	943304434	/nfs/dbraw/zinc/30/44/34/943304434.db2.gz	BVNWDEXGWGTRAR-CYBMUJFWSA-N	1	0	368.403	1.980	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@](C)(C[NH3+])C2)ccc1F	ZINC000818594086	943325254	/nfs/dbraw/zinc/32/52/54/943325254.db2.gz	CCFLKSCUQWYIHQ-INIZCTEOSA-N	1	0	355.435	1.101	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1cnn(Cc2ccc(OC)c(OC)c2)c1	ZINC000818609034	943331693	/nfs/dbraw/zinc/33/16/93/943331693.db2.gz	HJDNLNKRMOQVKY-UHFFFAOYSA-N	1	0	370.453	1.634	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@@H](O)c2ccc(C#N)cc2)cc1	ZINC000818947449	943358260	/nfs/dbraw/zinc/35/82/60/943358260.db2.gz	FACJSUNNIPMFNF-GOSISDBHSA-N	1	0	359.451	1.468	20	30		FDEDRO
N#Cc1ccc(NCC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)nc1	ZINC000818952477	943361866	/nfs/dbraw/zinc/36/18/66/943361866.db2.gz	NBPHBZAGDJJYLR-OAHLLOKOSA-N	1	0	357.370	1.303	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1	ZINC000818973385	943389047	/nfs/dbraw/zinc/38/90/47/943389047.db2.gz	OUOBZLBWNAAHQM-HXUWFJFHSA-N	1	0	367.449	1.924	20	30		FDEDRO
CC(=O)c1ccc(OC[C@@H](O)C[NH2+]CCNc2ncccc2C#N)cc1	ZINC000818975892	943390356	/nfs/dbraw/zinc/39/03/56/943390356.db2.gz	NXVYVZPWFORBNI-KRWDZBQOSA-N	1	0	354.410	1.597	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[NH2+][C@H]2CC(=O)N(CCOc3ccccc3)C2)cc1	ZINC000819100505	943421173	/nfs/dbraw/zinc/42/11/73/943421173.db2.gz	HGFXLENXKVHNLS-ICSRJNTNSA-N	1	0	365.433	1.861	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@H]3CCCOC3)C2)nn1	ZINC001086824884	943436963	/nfs/dbraw/zinc/43/69/63/943436963.db2.gz	DTQCUDRADWDMTC-GVDBMIGSSA-N	1	0	361.490	1.769	20	30		FDEDRO
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C[C@H](O)CN(C)CCC#N	ZINC000819247285	943482505	/nfs/dbraw/zinc/48/25/05/943482505.db2.gz	KURHYYNHKGABOX-OWCLPIDISA-N	1	0	354.495	1.428	20	30		FDEDRO
CN(C)S(=O)(=O)c1cccc(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)c1	ZINC000819218050	943492071	/nfs/dbraw/zinc/49/20/71/943492071.db2.gz	BZOSIVVMUAJTOW-GOSISDBHSA-N	1	0	359.451	1.632	20	30		FDEDRO
C[C@@](O)(C[NH2+]CCn1cnc(C#N)n1)c1ccc(Br)cc1F	ZINC000819306345	943511566	/nfs/dbraw/zinc/51/15/66/943511566.db2.gz	RMXXNGBEZFYGRU-CQSZACIVSA-N	1	0	368.210	1.549	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H](O)CN(C)CCC#N)c1ccc(N2CCCNC2=O)cc1	ZINC000819325855	943527248	/nfs/dbraw/zinc/52/72/48/943527248.db2.gz	KJOCBLDMJJIYGM-CRAIPNDOSA-N	1	0	359.474	1.463	20	30		FDEDRO
C#C[C@@H](NC(=O)NC[C@]1(O)CC[N@@H+](C)C1)c1ccc(Br)cc1	ZINC000820615960	944120892	/nfs/dbraw/zinc/12/08/92/944120892.db2.gz	FKSRFIHRZBGDSP-GDBMZVCRSA-N	1	0	366.259	1.489	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C(C)C)CCO2)C1	ZINC001195594489	971065826	/nfs/dbraw/zinc/06/58/26/971065826.db2.gz	PDUAQKKTVABXQP-KZNAEPCWSA-N	1	0	353.507	1.003	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cn(C[C@H]3CCOC3)nn2)C1	ZINC001086840826	944296077	/nfs/dbraw/zinc/29/60/77/944296077.db2.gz	ZJOPBVJFESJJNQ-RRFJBIMHSA-N	1	0	367.881	1.555	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2CC)C1	ZINC001195648372	971112154	/nfs/dbraw/zinc/11/21/54/971112154.db2.gz	SGDQKQUHSDYTCC-MTQWCTHYSA-N	1	0	358.482	1.716	20	30		FDEDRO
CON=C(C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1csc(N)n1	ZINC000821812534	944709200	/nfs/dbraw/zinc/70/92/00/944709200.db2.gz	XZMKBORVUNRKDE-RYUDHWBXSA-N	1	0	365.503	1.845	20	30		FDEDRO
COC(=O)C1CC[NH+](CCCNC(=O)c2ccc(C#N)c(OC)c2)CC1	ZINC000822094870	944863031	/nfs/dbraw/zinc/86/30/31/944863031.db2.gz	ZWIFAIUGMSRUBD-UHFFFAOYSA-N	1	0	359.426	1.572	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)c1ccncc1	ZINC000805808935	945379003	/nfs/dbraw/zinc/37/90/03/945379003.db2.gz	YWRXRDNLFSMDGU-SQNIBIBYSA-N	1	0	356.470	1.758	20	30		FDEDRO
COC(OC)c1c(C[N@@H+]2CC[C@@H](CO)C2)ccnc1NCCCS	ZINC001171000721	945381368	/nfs/dbraw/zinc/38/13/68/945381368.db2.gz	DJGLUKGNQBFBFC-CYBMUJFWSA-N	1	0	355.504	1.919	20	30		FDEDRO
C#C[C@@H](NC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C1CCOCC1	ZINC000823158250	945540236	/nfs/dbraw/zinc/54/02/36/945540236.db2.gz	FQWQUGGEYQUMGR-WOJBJXKFSA-N	1	0	371.481	1.481	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+]C(C)(C)c2cc(Cl)ccc2OC)CC1	ZINC000823497707	945792020	/nfs/dbraw/zinc/79/20/20/945792020.db2.gz	KUWBNZLYJZTFCO-UHFFFAOYSA-N	1	0	363.889	1.951	20	30		FDEDRO
N#C[C@@H](CCc1ccccc1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC001136743431	945830116	/nfs/dbraw/zinc/83/01/16/945830116.db2.gz	RFEXSBUEYITPFE-WOJBJXKFSA-N	1	0	370.497	1.282	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1C)[NH+]1CCCCC1	ZINC001090721063	945968130	/nfs/dbraw/zinc/96/81/30/945968130.db2.gz	IAJFYQHJSUMTAF-NXHRZFHOSA-N	1	0	370.501	1.800	20	30		FDEDRO
C#CCCCS(=O)(=O)N1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1	ZINC000856542663	971222112	/nfs/dbraw/zinc/22/21/12/971222112.db2.gz	FQNLGBCRLPBBRI-SFHVURJKSA-N	1	0	365.499	1.730	20	30		FDEDRO
CC[N@H+](C)Cc1cc(O[C@H]2CCN([C@H](C)C(=O)N(C)CCC#N)C2)ccn1	ZINC000856592099	971239724	/nfs/dbraw/zinc/23/97/24/971239724.db2.gz	FHSOCDHFUCIXMD-APWZRJJASA-N	1	0	373.501	1.747	20	30		FDEDRO
C#CCCCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1	ZINC001573284193	946740417	/nfs/dbraw/zinc/74/04/17/946740417.db2.gz	UXKJBTXLSLZAQT-AWEZNQCLSA-N	1	0	353.430	1.459	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@H]([C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573284638	946752026	/nfs/dbraw/zinc/75/20/26/946752026.db2.gz	IHMFXBHUWMPEGT-KGLIPLIRSA-N	1	0	353.430	1.136	20	30		FDEDRO
C#CCCCC(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1	ZINC001573285473	946780823	/nfs/dbraw/zinc/78/08/23/946780823.db2.gz	XZRLXOBDHYQJMI-UHFFFAOYSA-N	1	0	358.471	1.811	20	30		FDEDRO
N#Cc1cnn(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)c1N	ZINC000824818960	946792491	/nfs/dbraw/zinc/79/24/91/946792491.db2.gz	ZFDNZBLOLPHHRL-LPHOPBHVSA-N	1	0	351.410	1.516	20	30		FDEDRO
C=C(Br)C[NH2+][C@H](CC)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001573292600	946936687	/nfs/dbraw/zinc/93/66/87/946936687.db2.gz	YQYUBZKWPZDVHP-SECBINFHSA-N	1	0	368.239	1.201	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001573293102	946948517	/nfs/dbraw/zinc/94/85/17/946948517.db2.gz	MBQRKVDZZYSNHZ-QMMMGPOBSA-N	1	0	368.239	1.059	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C(C)(C)C1	ZINC001573560910	946957482	/nfs/dbraw/zinc/95/74/82/946957482.db2.gz	HZZWHLYTBSDYJF-IAQYHMDHSA-N	1	0	371.420	1.492	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C(C)(C)C1	ZINC001573561965	946971275	/nfs/dbraw/zinc/97/12/75/946971275.db2.gz	PSPGIBWYCICBFV-DOMZBBRYSA-N	1	0	353.430	1.353	20	30		FDEDRO
CC(C)N(CC[N@H+](C)Cc1ccccc1-c1nn[nH]n1)C(=O)[C@@H](C)C#N	ZINC001573563029	946980610	/nfs/dbraw/zinc/98/06/10/946980610.db2.gz	ZBMSNYVBAIARRN-AWEZNQCLSA-N	1	0	355.446	1.695	20	30		FDEDRO
C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1	ZINC001573295262	947012928	/nfs/dbraw/zinc/01/29/28/947012928.db2.gz	NCECWZHBQCKCDT-LBPRGKRZSA-N	1	0	363.853	1.731	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1	ZINC001573567765	947054047	/nfs/dbraw/zinc/05/40/47/947054047.db2.gz	SFWZTTHSABSITQ-JSGCOSHPSA-N	1	0	371.420	1.588	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1	ZINC001573567767	947054358	/nfs/dbraw/zinc/05/43/58/947054358.db2.gz	SFWZTTHSABSITQ-TZMCWYRMSA-N	1	0	371.420	1.588	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1	ZINC001573568128	947068549	/nfs/dbraw/zinc/06/85/49/947068549.db2.gz	YAURYGOCODSJHN-WCQYABFASA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573569816	947079370	/nfs/dbraw/zinc/07/93/70/947079370.db2.gz	FUFJSTWFENDXQE-FIXISWKDSA-N	1	0	357.393	1.102	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]21	ZINC001573570365	947087501	/nfs/dbraw/zinc/08/75/01/947087501.db2.gz	NNMWTIBEKWCFEQ-BFQNTYOBSA-N	1	0	369.404	1.198	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@](C)(C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C1CC1	ZINC001573570872	947096452	/nfs/dbraw/zinc/09/64/52/947096452.db2.gz	VXVKEGFLZHFHFV-VOJFVSQTSA-N	1	0	371.420	1.540	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C3CCC3)C2)n1	ZINC001090842744	947097069	/nfs/dbraw/zinc/09/70/69/947097069.db2.gz	TXDSINPAIHGYGY-CZUORRHYSA-N	1	0	356.474	1.336	20	30		FDEDRO
C[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C	ZINC001090842538	947097922	/nfs/dbraw/zinc/09/79/22/947097922.db2.gz	QSQDUDCSQYHFIK-UKPHBRMFSA-N	1	0	359.449	1.908	20	30		FDEDRO
C[C@H](C#N)C(=O)NC1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1	ZINC001573572725	947115343	/nfs/dbraw/zinc/11/53/43/947115343.db2.gz	JNCUYGVEULYJQE-VCANKDNSSA-N	1	0	371.420	1.682	20	30		FDEDRO
C[C@H](C#N)C(=O)NC1(C)CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1	ZINC001573572776	947116604	/nfs/dbraw/zinc/11/66/04/947116604.db2.gz	KBTXKQOTZMDVNQ-GFCCVEGCSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@H](C#N)C(=O)NC1(C)CC[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1	ZINC001573573300	947119509	/nfs/dbraw/zinc/11/95/09/947119509.db2.gz	MVDSPRGEYKOCPN-GFCCVEGCSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CC1(C)C	ZINC001573576211	947149558	/nfs/dbraw/zinc/14/95/58/947149558.db2.gz	FDIHMJUHURPNAW-ZWNOBZJWSA-N	1	0	359.459	1.414	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCC1	ZINC001573576954	947157383	/nfs/dbraw/zinc/15/73/83/947157383.db2.gz	KKGBXEWSNBZOND-LLVKDONJSA-N	1	0	357.393	1.294	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC1([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCC1	ZINC001573577821	947174295	/nfs/dbraw/zinc/17/42/95/947174295.db2.gz	TUBGCTOVOGNHTB-NSHDSACASA-N	1	0	357.393	1.294	20	30		FDEDRO
C[NH+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H](Nc2cncc(C#N)n2)C1	ZINC001090854280	947174619	/nfs/dbraw/zinc/17/46/19/947174619.db2.gz	WXSFCLUCHILEEM-ZWKOTPCHSA-N	1	0	364.453	1.706	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573309362	947197486	/nfs/dbraw/zinc/19/74/86/947197486.db2.gz	HOSUXDNFTJFHJT-QOKNQOGYSA-N	1	0	370.457	1.178	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573309723	947207673	/nfs/dbraw/zinc/20/76/73/947207673.db2.gz	NMYBLAJPPBVXRG-APWZRJJASA-N	1	0	370.457	1.227	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573583787	947208855	/nfs/dbraw/zinc/20/88/55/947208855.db2.gz	OVLSEFFBKWCCAV-UKRRQHHQSA-N	1	0	353.430	1.355	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1	ZINC001573585426	947256834	/nfs/dbraw/zinc/25/68/34/947256834.db2.gz	FUKVFNILDHHOLC-UBHSHLNASA-N	1	0	371.420	1.682	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F	ZINC001573585811	947267761	/nfs/dbraw/zinc/26/77/61/947267761.db2.gz	XAFNPCKGMTZJCO-HFBAOOFYSA-N	1	0	371.420	1.682	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC001573586291	947282953	/nfs/dbraw/zinc/28/29/53/947282953.db2.gz	NPMOSECPUCQGGG-QRTARXTBSA-N	1	0	367.457	1.791	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2[NH2+]Cc2cnn(C)c2)cc1	ZINC001090864570	947333064	/nfs/dbraw/zinc/33/30/64/947333064.db2.gz	KTTVHDHUOYJANH-MDASCCDHSA-N	1	0	367.453	1.673	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)n2cccn2)C[C@H]1c1ccc(OC)cc1	ZINC001090865060	947344473	/nfs/dbraw/zinc/34/44/73/947344473.db2.gz	OSCXEHFUSKSSPO-AYOQOUSVSA-N	1	0	352.438	1.670	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)n2cncn2)C[C@H]1c1ccc(OC)cc1	ZINC001090869400	947384510	/nfs/dbraw/zinc/38/45/10/947384510.db2.gz	XGTLYGATTXUPGN-JCGIZDLHSA-N	1	0	353.426	1.065	20	30		FDEDRO
C=CCCC(=O)NCC1CC([NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1	ZINC001573328394	947406984	/nfs/dbraw/zinc/40/69/84/947406984.db2.gz	VPUDBRIDVYXKAG-UHFFFAOYSA-N	1	0	370.457	1.826	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1c1ccc(OC)cc1	ZINC001090870609	947474967	/nfs/dbraw/zinc/47/49/67/947474967.db2.gz	JVRWTGZMZUTMGF-JKSUJKDBSA-N	1	0	357.410	1.371	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C2(C)CC(=C)C2)C1	ZINC001196019536	971385819	/nfs/dbraw/zinc/38/58/19/971385819.db2.gz	HFEMKZGZAIWRLM-GVDBMIGSSA-N	1	0	363.502	1.317	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1c1ccc(OC)cc1	ZINC001090874792	947482979	/nfs/dbraw/zinc/48/29/79/947482979.db2.gz	RIHWRWRPZKULIJ-DLBZAZTESA-N	1	0	354.410	1.575	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn3c2CCC3)C[C@H]1c1ccc(OC)cc1	ZINC001090874833	947484401	/nfs/dbraw/zinc/48/44/01/947484401.db2.gz	UPRVHEBGQFNPHQ-RBUKOAKNSA-N	1	0	364.449	1.669	20	30		FDEDRO
C=CCOCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573343359	947558089	/nfs/dbraw/zinc/55/80/89/947558089.db2.gz	NQNZJTBYWIXIHH-JNSHFYNHSA-N	1	0	374.420	1.193	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)[C@@H]1C	ZINC001573344212	947568818	/nfs/dbraw/zinc/56/88/18/947568818.db2.gz	ZIYDDHXNUDSEQN-BBRMVZONSA-N	1	0	356.430	1.148	20	30		FDEDRO
C=CCOCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1	ZINC001573349129	947592178	/nfs/dbraw/zinc/59/21/78/947592178.db2.gz	ZHIYQFLTVDAJPZ-KBPBESRZSA-N	1	0	373.461	1.228	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCC(=O)N2)C[C@H]1c1ccc(OC)cc1	ZINC001090881082	947599041	/nfs/dbraw/zinc/59/90/41/947599041.db2.gz	YQDDEMGYYFWIHD-IPMKNSEASA-N	1	0	369.465	1.271	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cn2nccc2C)C[C@H]1c1ccc(OC)cc1	ZINC001090881520	947601720	/nfs/dbraw/zinc/60/17/20/947601720.db2.gz	HLRRFXSOCYTKOW-RBUKOAKNSA-N	1	0	352.438	1.418	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cncc(OC)n2)C[C@H]1c1ccc(OC)cc1	ZINC001090881642	947602339	/nfs/dbraw/zinc/60/23/39/947602339.db2.gz	KGSQESPCIZWVGE-FUHWJXTLSA-N	1	0	368.437	1.878	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2OC)C[C@H]1c1ccc(OC)cc1	ZINC001090884472	947643078	/nfs/dbraw/zinc/64/30/78/947643078.db2.gz	SCBYOYLXMSKSSD-ZWKOTPCHSA-N	1	0	368.437	1.268	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1c1ccc(OC)cc1	ZINC001090885558	947662624	/nfs/dbraw/zinc/66/26/24/947662624.db2.gz	VQPLTYHLNNORAQ-ZWKOTPCHSA-N	1	0	355.442	1.447	20	30		FDEDRO
CC#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C(C)(C)[C@@H]21	ZINC001573358487	947664216	/nfs/dbraw/zinc/66/42/16/947664216.db2.gz	LJYXHCGXLVVRRT-DAXOMENPSA-N	1	0	367.457	1.437	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nn(CC)nc2C)C[C@H]1c1ccc(OC)cc1	ZINC001090888312	947706017	/nfs/dbraw/zinc/70/60/17/947706017.db2.gz	KHUFYIBSFHMFKL-ZWKOTPCHSA-N	1	0	367.453	1.446	20	30		FDEDRO
CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N	ZINC000844193205	947841592	/nfs/dbraw/zinc/84/15/92/947841592.db2.gz	AOMDHYACMIFWKX-KSSFIOAISA-N	1	0	360.421	1.960	20	30		FDEDRO
CC[C@H](C(=O)N[C@@H]1CN(c2snc(Cl)c2C#N)C[C@H]1OC)[NH+](C)C	ZINC001090905121	947907609	/nfs/dbraw/zinc/90/76/09/947907609.db2.gz	MDYSTGSSSSIAFT-IJLUTSLNSA-N	1	0	371.894	1.328	20	30		FDEDRO
CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@H+](CC(=O)NCCC#N)C2	ZINC000844359177	948010402	/nfs/dbraw/zinc/01/04/02/948010402.db2.gz	IHGRZWYYQJJNGH-KSSFIOAISA-N	1	0	350.463	1.643	20	30		FDEDRO
C=CC[C@@H](C)C(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1	ZINC001144015382	948117511	/nfs/dbraw/zinc/11/75/11/948117511.db2.gz	WNBAQEMFOLCAPJ-WBVHZDCISA-N	1	0	361.490	1.566	20	30		FDEDRO
C=CC[C@H](C)C(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1	ZINC001144015369	948117626	/nfs/dbraw/zinc/11/76/26/948117626.db2.gz	WNBAQEMFOLCAPJ-DOTOQJQBSA-N	1	0	361.490	1.566	20	30		FDEDRO
N#Cc1cncc(C[N@H+]2C[C@@H]3COC[C@H](C(=O)NCc4ccco4)[C@@H]3C2)c1	ZINC001144075740	948188765	/nfs/dbraw/zinc/18/87/65/948188765.db2.gz	TVGOKTLKQPWHNW-QRQLOZEOSA-N	1	0	366.421	1.557	20	30		FDEDRO
N#Cc1cncc(C[N@H+]2C[C@@H]3COC[C@@H](C(=O)Nc4cnccn4)[C@@H]3C2)c1	ZINC001144076018	948190020	/nfs/dbraw/zinc/19/00/20/948190020.db2.gz	YCTBAVVVDNZWEY-BRWVUGGUSA-N	1	0	364.409	1.076	20	30		FDEDRO
N#Cc1cncc(C[NH+]2CCC3(CC2)CN(c2ncc(F)cn2)CCO3)c1	ZINC001144076089	948190507	/nfs/dbraw/zinc/19/05/07/948190507.db2.gz	YNOWCJJKESLAAW-UHFFFAOYSA-N	1	0	368.416	1.754	20	30		FDEDRO
N#Cc1cncc(C[N@H+]2CC[C@H]3OC[C@@H](C(=O)N4CCCCO4)C[C@H]3C2)c1	ZINC001144079887	948198832	/nfs/dbraw/zinc/19/88/32/948198832.db2.gz	NJQTXTNIYHCZSC-GBESFXJTSA-N	1	0	370.453	1.734	20	30		FDEDRO
N#Cc1cncc(C[N@H+]2CC[C@H]3OCC[C@@H](C(=O)N4CCCO4)[C@@H]3C2)c1	ZINC001144080702	948201593	/nfs/dbraw/zinc/20/15/93/948201593.db2.gz	VXUONKSFARXPOL-FGTMMUONSA-N	1	0	356.426	1.344	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C(=O)N4CCCCO4)[C@@H]3C2)nc1	ZINC001144157501	948299565	/nfs/dbraw/zinc/29/95/65/948299565.db2.gz	LPPZTVIICULZPY-NXHRZFHOSA-N	1	0	356.426	1.202	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCCC4)[C@@H]3C2)nc1	ZINC001144157582	948300618	/nfs/dbraw/zinc/30/06/18/948300618.db2.gz	OWYKUJOSDJZKFV-LMMKCTJWSA-N	1	0	354.454	1.660	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCOCC3)C2)nc1	ZINC001144158630	948303356	/nfs/dbraw/zinc/30/33/56/948303356.db2.gz	OBFFXCNNIMXPNJ-QRQLOZEOSA-N	1	0	370.453	1.039	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(CC)c2CC)C1	ZINC001196136903	971472286	/nfs/dbraw/zinc/47/22/86/971472286.db2.gz	FMKSTEGPEZMGAD-GDBMZVCRSA-N	1	0	351.495	1.606	20	30		FDEDRO
C[C@@H]1C[NH+](CCCNC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)C[C@@H](C)O1	ZINC000844867894	948451921	/nfs/dbraw/zinc/45/19/21/948451921.db2.gz	IQJDAJYIBZBHRZ-MDZRGWNJSA-N	1	0	374.485	1.732	20	30		FDEDRO
C[C@H](CNC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)C[NH+]1CCN(C)CC1	ZINC000845010738	948588573	/nfs/dbraw/zinc/58/85/73/948588573.db2.gz	MURUGJJDXCDBSC-VQIMIIECSA-N	1	0	373.501	1.117	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@H]3OCCN(C(=O)CCCC[NH+](C)C)[C@H]3C2)n1	ZINC001091047832	948640172	/nfs/dbraw/zinc/64/01/72/948640172.db2.gz	JLOISLRZBKYWOE-ZWKOTPCHSA-N	1	0	371.485	1.410	20	30		FDEDRO
CC1(CCNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)OCCO1	ZINC000845110851	948689420	/nfs/dbraw/zinc/68/94/20/948689420.db2.gz	IUZKRSVROWZBKL-UHFFFAOYSA-N	1	0	372.469	1.975	20	30		FDEDRO
C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#Cc1ccccc1	ZINC000845132473	948718426	/nfs/dbraw/zinc/71/84/26/948718426.db2.gz	AWPJEJGNGJTBLH-KRWDZBQOSA-N	1	0	359.470	1.999	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000857010975	971532034	/nfs/dbraw/zinc/53/20/34/971532034.db2.gz	DSBBVUIRCQCBAZ-OAHLLOKOSA-N	1	0	360.370	1.357	20	30		FDEDRO
C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC001091096762	949314664	/nfs/dbraw/zinc/31/46/64/949314664.db2.gz	YUWSPEHVFXBBJG-HCWSGVFWSA-N	1	0	356.772	1.570	20	30		FDEDRO
COCCOCCOCCOCC[NH2+][C@@H](C)Cc1cccc(C#N)c1	ZINC001171189832	949444203	/nfs/dbraw/zinc/44/42/03/949444203.db2.gz	NHJPJHONTXUCJG-KRWDZBQOSA-N	1	0	350.459	1.775	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N[C@@H]1CN(c2snc(Cl)c2C#N)C[C@@H]1O	ZINC001091132923	949523719	/nfs/dbraw/zinc/52/37/19/949523719.db2.gz	JGUKZJJICFXMAO-NEPJUHHUSA-N	1	0	371.894	1.066	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@H]1O	ZINC001196276084	971600770	/nfs/dbraw/zinc/60/07/70/971600770.db2.gz	KBRTVYASNWVYKO-MKXGPGLRSA-N	1	0	366.502	1.336	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)OC[C@@H]2CC[N@H+]2C(C)(C)C)c1	ZINC000845732622	949864202	/nfs/dbraw/zinc/86/42/02/949864202.db2.gz	GXQMJQHWCPKBLU-HNNXBMFYSA-N	1	0	364.467	1.628	20	30		FDEDRO
C[C@@H]1CN(C)C(=O)CN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000845743970	949876402	/nfs/dbraw/zinc/87/64/02/949876402.db2.gz	POQZSIDFYKRYLR-OAHLLOKOSA-N	1	0	369.469	1.395	20	30		FDEDRO
C=C(Br)C[NH2+]C1CC(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1	ZINC001091160137	949908801	/nfs/dbraw/zinc/90/88/01/949908801.db2.gz	RYPGJPOABGFGPR-NNVWEFMASA-N	1	0	373.291	1.431	20	30		FDEDRO
C#Cc1ccc(C[N@@H+]2CCc3ncnc(N4CCN(C)CC4)c3CC2)cc1	ZINC001144573429	949957061	/nfs/dbraw/zinc/95/70/61/949957061.db2.gz	JLUZVVHWHIREHL-UHFFFAOYSA-N	1	0	361.493	1.811	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1	ZINC001570962551	950028966	/nfs/dbraw/zinc/02/89/66/950028966.db2.gz	FPIUPAIVZWZIJX-XJKSGUPXSA-N	1	0	353.430	1.497	20	30		FDEDRO
CC(C)C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@@H](C)C#N	ZINC001574151662	950089474	/nfs/dbraw/zinc/08/94/74/950089474.db2.gz	XNRBVBXWUISRAV-GXTWGEPZSA-N	1	0	373.436	1.786	20	30		FDEDRO
C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1	ZINC001574983514	950224547	/nfs/dbraw/zinc/22/45/47/950224547.db2.gz	PTVLJJSEMYKKMI-LBPRGKRZSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[C@@H](C#N)CN(C)CN1C(=O)NC2(CC[NH+](Cc3ccccc3)CC2)C1=O	ZINC000857231779	971661976	/nfs/dbraw/zinc/66/19/76/971661976.db2.gz	SPJFJKRWWJBNBT-INIZCTEOSA-N	1	0	369.469	1.622	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC([NH2+]Cc2cn(CC3CC3)nn2)C1	ZINC001091238598	951126273	/nfs/dbraw/zinc/12/62/73/951126273.db2.gz	AQUNDUCOLFVUPZ-UQVLAFNGSA-N	1	0	359.474	1.264	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(C#N)nc1	ZINC001091259682	951235305	/nfs/dbraw/zinc/23/53/05/951235305.db2.gz	WLSUUFOBNCUVSK-ATZDWAIDSA-N	1	0	371.485	1.761	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(C#N)n1)[NH+]1CCCC1	ZINC001091263091	951270511	/nfs/dbraw/zinc/27/05/11/951270511.db2.gz	VFRZQXCVKRRVJN-GPMSIDNRSA-N	1	0	370.501	1.730	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1C#N	ZINC001091280170	951299766	/nfs/dbraw/zinc/29/97/66/951299766.db2.gz	JWIDVXQRMLNHGA-RBSFLKMASA-N	1	0	362.453	1.867	20	30		FDEDRO
COc1cccc([C@H](CNc2cnc(-c3nn[nH]n3)c(C#N)n2)[NH+](C)C)c1	ZINC001571017933	951340138	/nfs/dbraw/zinc/34/01/38/951340138.db2.gz	ZZTYTPDFQRQXPZ-AWEZNQCLSA-N	1	0	365.401	1.252	20	30		FDEDRO
N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCOc2ccc(Br)cc21	ZINC000846676286	951439637	/nfs/dbraw/zinc/43/96/37/951439637.db2.gz	CKHGYPZGWIBRAX-IRUJWGPZSA-N	1	0	350.216	1.543	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)C(=O)NCCC3CCC3)CC2)c1	ZINC000846735089	951514539	/nfs/dbraw/zinc/51/45/39/951514539.db2.gz	WYZLAAGAFGMGMX-UHFFFAOYSA-N	1	0	368.481	1.945	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@H]3CC[C@@H](C)O3)c2)C1	ZINC001091406263	951602558	/nfs/dbraw/zinc/60/25/58/951602558.db2.gz	QZVBEYUTRKMTKK-ATZDWAIDSA-N	1	0	357.454	1.742	20	30		FDEDRO
N#Cc1c(N)sc2c1CC[N@@H+](CCOc1cccc(-c3nn[nH]n3)c1)C2	ZINC001571038840	951649118	/nfs/dbraw/zinc/64/91/18/951649118.db2.gz	XNNQDMVBXWNLLD-UHFFFAOYSA-N	1	0	367.438	1.819	20	30		FDEDRO
NC(=O)c1ccc(C(=[NH2+])Nc2ccc3c(c2)C2(CCOCC2)C(=O)N3)cc1	ZINC001171258585	951725780	/nfs/dbraw/zinc/72/57/80/951725780.db2.gz	FMGPPZPFZNJJBX-UHFFFAOYSA-N	1	0	364.405	1.823	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H](CC[NH+]2CCN(C(=O)CC#N)CC2)C1	ZINC000846963199	951735211	/nfs/dbraw/zinc/73/52/11/951735211.db2.gz	VCYWEKZNPPGBJK-OAHLLOKOSA-N	1	0	350.463	1.691	20	30		FDEDRO
C#C[C@@H]1CCC[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1	ZINC000847020712	951774695	/nfs/dbraw/zinc/77/46/95/951774695.db2.gz	DBDSWGWMYIPQTN-SJORKVTESA-N	1	0	356.495	1.802	20	30		FDEDRO
C#C[C@H]1CCCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)C1	ZINC000847032432	951782084	/nfs/dbraw/zinc/78/20/84/951782084.db2.gz	SWRJMTICYBSFMI-AWEZNQCLSA-N	1	0	357.410	1.841	20	30		FDEDRO
C#C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C1	ZINC000847033423	951783143	/nfs/dbraw/zinc/78/31/43/951783143.db2.gz	WWVNRQVBWURLDZ-ZIAGYGMSSA-N	1	0	357.410	1.840	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ccc(C)o4)C[C@]3(C)C2)C1=O	ZINC001091458450	951820756	/nfs/dbraw/zinc/82/07/56/951820756.db2.gz	YYVDKRYYRSVTPT-QINHECLXSA-N	1	0	357.454	1.769	20	30		FDEDRO
C[C@H](CNC(=O)c1ccc(C#N)[nH]1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1	ZINC001575099607	951837182	/nfs/dbraw/zinc/83/71/82/951837182.db2.gz	OBNHHAPKJWVXRJ-JTQLQIEISA-N	1	0	370.442	1.284	20	30		FDEDRO
CO[C@@H](C)C(=O)N1C[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@@]2(C)C1	ZINC001091518322	951924611	/nfs/dbraw/zinc/92/46/11/951924611.db2.gz	AUEFPMVTSPFSQM-VPWXQRGCSA-N	1	0	357.454	1.904	20	30		FDEDRO
C[NH+](C)CCC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1c1ccccc1	ZINC001091531836	951952483	/nfs/dbraw/zinc/95/24/83/951952483.db2.gz	KVFLSOZQMFNCCA-VQTJNVASSA-N	1	0	363.465	1.994	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2C[N@H+](Cc3cccc(C(=O)N(C)C)c3)C[C@@]2(C)C1	ZINC001091536359	951962912	/nfs/dbraw/zinc/96/29/12/951962912.db2.gz	TZDZDMHSULYKQY-KLHJMIIUSA-N	1	0	368.481	1.828	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2CN(Cc3cc(C(F)(F)F)nn3C)C[C@@]2(C)C1	ZINC001091546280	951986920	/nfs/dbraw/zinc/98/69/20/951986920.db2.gz	ZFMQKNWRTAOQJJ-OZVIIMIRSA-N	1	0	369.391	1.879	20	30		FDEDRO
C[C@H](c1cnccn1)[N@@H+]1C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@]2(C)C1	ZINC001091574722	952111760	/nfs/dbraw/zinc/11/17/60/952111760.db2.gz	OOXMLNVBXJEOIG-MUKKUYKPSA-N	1	0	350.426	1.831	20	30		FDEDRO
C[C@]12CN(C(=O)C[C@@H]3COC(=O)C3)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001091597716	952197595	/nfs/dbraw/zinc/19/75/95/952197595.db2.gz	IARPZMKGASRHNO-JQVVWYNYSA-N	1	0	366.461	1.772	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)NC[C@H]2CC[C@@H](Nc3ncccc3C#N)C2)CC1	ZINC001091599996	952215390	/nfs/dbraw/zinc/21/53/90/952215390.db2.gz	QACJCCMAWINQBZ-DOTOQJQBSA-N	1	0	371.485	1.761	20	30		FDEDRO
Cc1cc(C)n(CC[N@@H+]2C[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@]3(C)C2)n1	ZINC001091604244	952224856	/nfs/dbraw/zinc/22/48/56/952224856.db2.gz	BKYWPJWHRKQOGC-UZLBHIALSA-N	1	0	366.469	1.794	20	30		FDEDRO
C[C@]12CN(C(=O)CCn3ccnn3)C[C@H]1C[N@H+](Cc1ccc(C#N)s1)C2	ZINC001091626575	952361124	/nfs/dbraw/zinc/36/11/24/952361124.db2.gz	JLKBUHYJKXHGQH-KDOFPFPSSA-N	1	0	370.482	1.582	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)C4CC(C)(C)C4)C[C@]3(C)C2)C1=O	ZINC001091641747	952457052	/nfs/dbraw/zinc/45/70/52/952457052.db2.gz	CXEYMOHDDNUPSQ-WWMYMODYSA-N	1	0	359.514	1.990	20	30		FDEDRO
CCn1nncc1C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@]2(C)C1	ZINC001091651904	952502920	/nfs/dbraw/zinc/50/29/20/952502920.db2.gz	VLANNLJEPZHTNZ-ACJLOTCBSA-N	1	0	370.482	1.825	20	30		FDEDRO
C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1C[N@H+](CC[C@H]1CCS(=O)(=O)C1)C2	ZINC001091659246	952518861	/nfs/dbraw/zinc/51/88/61/952518861.db2.gz	IKSOXMJBVFTZNS-SCTDSRPQSA-N	1	0	364.511	1.005	20	30		FDEDRO
C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1C[N@H+](C[C@@H](O)Cc1ccccc1)C2	ZINC001091660023	952520872	/nfs/dbraw/zinc/52/08/72/952520872.db2.gz	ZUSSYZVOZPMSCJ-URVUXULASA-N	1	0	352.478	1.784	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2Nc2ccc(C#N)nc2)cn1	ZINC001091656245	952531435	/nfs/dbraw/zinc/53/14/35/952531435.db2.gz	NXDDYIGJPGWIBE-ZWKOTPCHSA-N	1	0	367.457	1.045	20	30		FDEDRO
C=C(Cl)CN1C[C@@H]2CN(C(=O)c3cn(CCOC)nn3)C[C@]2(C)C1	ZINC001091664359	952539610	/nfs/dbraw/zinc/53/96/10/952539610.db2.gz	IORDROFPNPRFIP-CJNGLKHVSA-N	1	0	353.854	1.071	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1CNc1ccc(C#N)nc1	ZINC001091668327	952557368	/nfs/dbraw/zinc/55/73/68/952557368.db2.gz	KAPXUYNBMAWLAC-CRAIPNDOSA-N	1	0	359.474	1.570	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@]34CCC[C@H]3OCC4)C2)C1	ZINC001147876897	952568479	/nfs/dbraw/zinc/56/84/79/952568479.db2.gz	HCBLIWVGJZEGHY-YRNRMSPPSA-N	1	0	361.486	1.171	20	30		FDEDRO
CCN(CCC#N)C(=O)CN1CCC2(CN(C(=O)[C@]34C[C@H]3CCC4)C2)C1	ZINC001147945952	952584345	/nfs/dbraw/zinc/58/43/45/952584345.db2.gz	INWHJYJEXJDWLA-OXQOHEQNSA-N	1	0	358.486	1.473	20	30		FDEDRO
CCc1nc(C#N)cc(NC[C@@H]2C[C@H](C)CCN2C(=O)CC[NH+](C)C)n1	ZINC001091692691	952646156	/nfs/dbraw/zinc/64/61/56/952646156.db2.gz	LZQBPOKZQBDVHN-ZBFHGGJFSA-N	1	0	358.490	1.901	20	30		FDEDRO
C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000772986977	952654983	/nfs/dbraw/zinc/65/49/83/952654983.db2.gz	XLERFJHADJEZJC-CVTQAYBASA-N	1	0	370.453	1.240	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cc(-c4ccn(C)n4)on3)C[C@]2(C)C1	ZINC001091701743	952669027	/nfs/dbraw/zinc/66/90/27/952669027.db2.gz	FYZDFYYOLAXLGR-KUHUBIRLSA-N	1	0	353.426	1.492	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@@]2(C)C1	ZINC001091702021	952669032	/nfs/dbraw/zinc/66/90/32/952669032.db2.gz	NYKBZUOEPVWVRU-ACJLOTCBSA-N	1	0	353.894	1.824	20	30		FDEDRO
C[C@]12CN(C(=O)Cn3nccn3)C[C@H]1C[N@H+](Cc1cc(C#N)ccc1F)C2	ZINC001091703890	952678985	/nfs/dbraw/zinc/67/89/85/952678985.db2.gz	XVVGOYJPWHCMFL-APWZRJJASA-N	1	0	368.416	1.269	20	30		FDEDRO
N#Cc1ccc(N2CCCN(C(=O)c3ccc(NC(N)=[NH2+])cc3)CC2)nc1	ZINC001148648253	952763107	/nfs/dbraw/zinc/76/31/07/952763107.db2.gz	RUEUPZJDUMSXBL-UHFFFAOYSA-N	1	0	363.425	1.611	20	30		FDEDRO
CC(C)(C(N)=O)C(=O)N1C[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@@]2(C)C1	ZINC001091757527	952807253	/nfs/dbraw/zinc/80/72/53/952807253.db2.gz	JTUIIRFFIBAQCT-UTKZUKDTSA-N	1	0	353.466	1.330	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H]3CCN(CC=C)C3=O)C2)cn1	ZINC001086857831	952877093	/nfs/dbraw/zinc/87/70/93/952877093.db2.gz	ZGRXDRWKSVSJRL-KFKAGJAMSA-N	1	0	366.465	1.338	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(OC)cc3)C2)C1=O	ZINC001086860956	952882542	/nfs/dbraw/zinc/88/25/42/952882542.db2.gz	BLCTYZVGTMZFDD-KVSKMBFKSA-N	1	0	371.481	1.970	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3CCF)C2)nc1	ZINC001086855961	952901421	/nfs/dbraw/zinc/90/14/21/952901421.db2.gz	AXATUFLRZFRVKT-JKSUJKDBSA-N	1	0	370.432	1.312	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cn(C)nc3C)C2)nc1	ZINC001086855946	952901553	/nfs/dbraw/zinc/90/15/53/952901553.db2.gz	AFXDJOUZYOFYPM-FUHWJXTLSA-N	1	0	351.454	1.793	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)C3CC3)C[C@H]2[NH2+]Cc2ccc(C#N)s2)cn1	ZINC001086962325	952948226	/nfs/dbraw/zinc/94/82/26/952948226.db2.gz	XZOBRRJZUBPUCS-DLBZAZTESA-N	1	0	355.467	1.847	20	30		FDEDRO
COCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC001086959632	952956399	/nfs/dbraw/zinc/95/63/99/952956399.db2.gz	MGANCMSTNHARRP-FUHWJXTLSA-N	1	0	371.416	1.161	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)C(F)F)C[C@H]2[NH2+]Cc2ccc(C#N)cc2)cn1	ZINC001086961622	952959076	/nfs/dbraw/zinc/95/90/76/952959076.db2.gz	NDHGQHJPZCVUQG-JKSUJKDBSA-N	1	0	359.380	1.641	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2[NH2+]CC[C@@H]2CCOC2)cn1	ZINC001086978073	952989387	/nfs/dbraw/zinc/98/93/87/952989387.db2.gz	CHRRAISGSYTTNC-NZSAHSFTSA-N	1	0	356.470	1.144	20	30		FDEDRO
Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2c2cnn(C)c2)s1	ZINC001086978079	952989394	/nfs/dbraw/zinc/98/93/94/952989394.db2.gz	CNKFGOKFRCFSGF-DLBZAZTESA-N	1	0	369.494	1.683	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc(C)nc3C2)C[C@H]1c1cnn(C)c1	ZINC001086984707	952999530	/nfs/dbraw/zinc/99/95/30/952999530.db2.gz	YXTPBLSWBWBQMG-RYQLBKOJSA-N	1	0	368.485	1.258	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnc3ccccn32)C[C@H]1c1cnn(C)c1	ZINC001086985353	953002434	/nfs/dbraw/zinc/00/24/34/953002434.db2.gz	GIRILXYCROAFKY-JKSUJKDBSA-N	1	0	350.426	1.452	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccnc(OC)c2)C[C@H]1c1cnn(C)c1	ZINC001086985667	953003028	/nfs/dbraw/zinc/00/30/28/953003028.db2.gz	XORLPKMFVQCTFP-DLBZAZTESA-N	1	0	355.442	1.598	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cccc3ncnn32)C[C@H]1c1cnn(C)c1	ZINC001086986432	953005970	/nfs/dbraw/zinc/00/59/70/953005970.db2.gz	OXFZTQYGSJACHC-JKSUJKDBSA-N	1	0	365.441	1.237	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(F)cc(C)cc2F)C[C@H]1c1cnn(C)c1	ZINC001086986700	953007358	/nfs/dbraw/zinc/00/73/58/953007358.db2.gz	DENDZKZPCDVIJP-WMLDXEAASA-N	1	0	358.392	1.838	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2COc3ccccc3C2)C[C@H]1c1cnn(C)c1	ZINC001086986745	953007378	/nfs/dbraw/zinc/00/73/78/953007378.db2.gz	HJKZDDIRRANRIL-NZSAHSFTSA-N	1	0	364.449	1.189	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)c(OC)c2)C[C@H]1c1cnn(C)c1	ZINC001086986866	953007856	/nfs/dbraw/zinc/00/78/56/953007856.db2.gz	NPFQCLFBOGMDID-ZWKOTPCHSA-N	1	0	352.438	1.568	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nc3cnccc3s2)C[C@H]1c1cnn(C)c1	ZINC001086987009	953008794	/nfs/dbraw/zinc/00/87/94/953008794.db2.gz	URCCEWCIBRDNJO-DZGCQCFKSA-N	1	0	366.450	1.256	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)CCOC3)C[C@H]1c1cnn(C)c1	ZINC001086987374	953009567	/nfs/dbraw/zinc/00/95/67/953009567.db2.gz	OTSPFYQIFSTLGY-VQTJNVASSA-N	1	0	364.449	1.324	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(CC)[nH]c(=O)c2)C[C@H]1c1cnn(C)c1	ZINC001086987868	953011002	/nfs/dbraw/zinc/01/10/02/953011002.db2.gz	RMBOQRDVTYTVEA-ZWKOTPCHSA-N	1	0	369.469	1.857	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc3c2O[C@H](C)C3)C[C@H]1c1cnn(C)c1	ZINC001086988010	953011642	/nfs/dbraw/zinc/01/16/42/953011642.db2.gz	ZFYZZPUZZMLSMX-MDASCCDHSA-N	1	0	364.449	1.575	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2cc(CC)nn2C)C[C@H]1c1cnn(C)c1	ZINC001086988842	953013213	/nfs/dbraw/zinc/01/32/13/953013213.db2.gz	UVBUYBVUHDJNOS-RBUKOAKNSA-N	1	0	370.501	1.419	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2c(C)nn(C)c2C)C[C@H]1c1cnn(C)c1	ZINC001086989781	953015693	/nfs/dbraw/zinc/01/56/93/953015693.db2.gz	UFPNUWBRYNDMSV-DLBZAZTESA-N	1	0	356.474	1.544	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc3c([nH]2)CCOC3)C[C@H]1c1cnn(C)c1	ZINC001086981803	953033965	/nfs/dbraw/zinc/03/39/65/953033965.db2.gz	DSUOTEJEAOKVHC-QFBILLFUSA-N	1	0	369.469	1.595	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2cncs2)C[C@H]1c1cnn(C)c1	ZINC001086996920	953039570	/nfs/dbraw/zinc/03/95/70/953039570.db2.gz	BELTUXATCHNEBW-DLBZAZTESA-N	1	0	359.499	1.970	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2nn(C)c3c2CCCC3)C[C@H]1c1cnn(C)c1	ZINC001086998315	953042411	/nfs/dbraw/zinc/04/24/11/953042411.db2.gz	DDBDRAMHRFAARO-DLBZAZTESA-N	1	0	368.485	1.416	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCc2nc(C3CC3)no2)C[C@H]1c1cnn(C)c1	ZINC001087000903	953052843	/nfs/dbraw/zinc/05/28/43/953052843.db2.gz	UFWNAUJAGANXTM-JKSUJKDBSA-N	1	0	370.457	1.383	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCC3CC3)C2)nn1	ZINC001087000892	953053409	/nfs/dbraw/zinc/05/34/09/953053409.db2.gz	TXCRUQMKJDFEOM-DLBZAZTESA-N	1	0	369.473	1.196	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2c(C)noc2C)C[C@H]1c1cnn(C)c1	ZINC001087001771	953055485	/nfs/dbraw/zinc/05/54/85/953055485.db2.gz	NLRYMCSNGAOGFS-AFAVFJNCSA-N	1	0	355.442	1.346	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cnn3c2CCCC3)C[C@H]1c1cnn(C)c1	ZINC001087004691	953062656	/nfs/dbraw/zinc/06/26/56/953062656.db2.gz	NUZDNXAFWYSZQD-ZWKOTPCHSA-N	1	0	368.485	1.727	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)COc2ccc(C)cc2)C[C@H]1c1cnn(C)c1	ZINC001087008777	953096344	/nfs/dbraw/zinc/09/63/44/953096344.db2.gz	XVFADOIFSILCRT-RBUKOAKNSA-N	1	0	354.454	1.878	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2nccs2)C[C@H]1c1cnn(C)c1	ZINC001087009508	953098719	/nfs/dbraw/zinc/09/87/19/953098719.db2.gz	JXORMYKXJKUEBS-JKSUJKDBSA-N	1	0	359.499	1.970	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2cccc(F)c2)C[C@H]1c1cnn(C)c1	ZINC001087011667	953104585	/nfs/dbraw/zinc/10/45/85/953104585.db2.gz	JGOPERUGYSJMJW-UIAACRFSSA-N	1	0	368.456	1.955	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CC(C)(C)C)C[C@H]2OCC)C1=O	ZINC001087026011	953110758	/nfs/dbraw/zinc/11/07/58/953110758.db2.gz	CGLQQRRICJPYSR-BRWVUGGUSA-N	1	0	365.518	1.663	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)OC)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001087032057	953129673	/nfs/dbraw/zinc/12/96/73/953129673.db2.gz	WQUHAZDPEOVXHH-FDQGKXFDSA-N	1	0	363.433	1.685	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1ccc(OC)c(F)c1	ZINC001087035896	953146299	/nfs/dbraw/zinc/14/62/99/953146299.db2.gz	QLUZDBOXQGSOHK-DDUZABMNSA-N	1	0	363.433	1.947	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1c(C)nsc1C	ZINC001087036087	953146914	/nfs/dbraw/zinc/14/69/14/953146914.db2.gz	YILWXFRXFFYIFD-SGIREYDYSA-N	1	0	350.488	1.873	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]CC1CC(F)(F)C1	ZINC001087039836	953155689	/nfs/dbraw/zinc/15/56/89/953155689.db2.gz	GPBMHASQFFXYPO-GDBMZVCRSA-N	1	0	366.412	1.998	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1cnccc1C	ZINC001087039942	953156221	/nfs/dbraw/zinc/15/62/21/953156221.db2.gz	KTIMNISUOVQGQZ-IEBWSBKVSA-N	1	0	367.453	1.857	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1ccccn1	ZINC001087045260	953169975	/nfs/dbraw/zinc/16/99/75/953169975.db2.gz	APQNJQWHGVBEMW-CRAIPNDOSA-N	1	0	353.426	1.548	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087049158	953173965	/nfs/dbraw/zinc/17/39/65/953173965.db2.gz	SFKHXCQRLMWNLC-QZTJIDSGSA-N	1	0	359.470	1.672	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087055280	953189246	/nfs/dbraw/zinc/18/92/46/953189246.db2.gz	CYSOEZFOZFEYEL-HDAAZOAOSA-N	1	0	369.465	1.548	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1ncc(C)cn1	ZINC001087047234	953195894	/nfs/dbraw/zinc/19/58/94/953195894.db2.gz	ZNLLJINTRSQHKG-NVXWUHKLSA-N	1	0	368.441	1.252	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cccnc2)[C@H](OCC)C1	ZINC001087085547	953246876	/nfs/dbraw/zinc/24/68/76/953246876.db2.gz	KSIKGIGWYYJQKT-AKHDSKFASA-N	1	0	359.470	1.626	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cnns3)[C@H](OCC)C2)cn1	ZINC001087097197	953283951	/nfs/dbraw/zinc/28/39/51/953283951.db2.gz	AUZCJKUUZNKOMI-RHSMWYFYSA-N	1	0	371.466	1.181	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)CCN1c1ccncc1C#N	ZINC001091784748	953301896	/nfs/dbraw/zinc/30/18/96/953301896.db2.gz	RMHPAAWNQOMGFY-BPQIPLTHSA-N	1	0	371.485	1.395	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C[C@]2(C)C1	ZINC001091785435	953302985	/nfs/dbraw/zinc/30/29/85/953302985.db2.gz	CGOTYINDCRIXSI-NYTXWWLZSA-N	1	0	360.376	1.136	20	30		FDEDRO
CC[C@@H](C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)[C@@H]1CC)[NH+](CC)CC	ZINC001091826444	953501301	/nfs/dbraw/zinc/50/13/01/953501301.db2.gz	YZMCJHRRXHJHBX-BBWFWOEESA-N	1	0	358.490	1.942	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1C[C@H]2CCN(c3nc(C)cc(C#N)n3)C[C@H]2C1	ZINC001091854999	953549028	/nfs/dbraw/zinc/54/90/28/953549028.db2.gz	NTFXHHPTETYEDZ-CVEARBPZSA-N	1	0	356.474	1.283	20	30		FDEDRO
Cc1cc(N2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@@H]3C2)c(C#N)cn1	ZINC001091856325	953561487	/nfs/dbraw/zinc/56/14/87/953561487.db2.gz	BGBPTDISEGKUAR-AEFFLSMTSA-N	1	0	371.485	1.125	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)c3cnc4c(c3)nnn4C)C[C@]2(C)C1	ZINC001091862131	953596497	/nfs/dbraw/zinc/59/64/97/953596497.db2.gz	ZDBDBDGNYGXVGR-BEFAXECRSA-N	1	0	354.458	1.723	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@H+](CCN4CCNC4=O)C[C@@]3(C)C2)cc1	ZINC001091907475	953685329	/nfs/dbraw/zinc/68/53/29/953685329.db2.gz	YOHUFLGZZORXOU-NQIIRXRSSA-N	1	0	366.465	1.087	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(-n4cncn4)nc3)C[C@]2(C)C1	ZINC001091899161	953741383	/nfs/dbraw/zinc/74/13/83/953741383.db2.gz	KFBWBWSFFMVIAN-APWZRJJASA-N	1	0	350.426	1.080	20	30		FDEDRO
C[C@]12CN(C(=O)[C@]3(F)CCOC3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001091951146	953825712	/nfs/dbraw/zinc/82/57/12/953825712.db2.gz	OBKDRTPBCHVYOR-HOJAQTOUSA-N	1	0	357.429	1.967	20	30		FDEDRO
C=CC1(CC(=O)N[C@@H]2C[N@H+](CCOCCOC)C[C@H]2O)CCCCC1	ZINC001196861417	971965324	/nfs/dbraw/zinc/96/53/24/971965324.db2.gz	WXTAHWTZFXXBJS-IAGOWNOFSA-N	1	0	354.491	1.337	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(S(C)(=O)=O)o3)C[C@]2(C)C1	ZINC001092064141	954187616	/nfs/dbraw/zinc/18/76/16/954187616.db2.gz	ICCDNRCOBKJTAH-DYVFJYSZSA-N	1	0	352.456	1.653	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3csc(-c4nc[nH]n4)n3)C[C@]2(C)C1	ZINC001092094332	954269986	/nfs/dbraw/zinc/26/99/86/954269986.db2.gz	HLQVFEJSTKIQGT-PXAZEXFGSA-N	1	0	358.471	1.898	20	30		FDEDRO
Cn1ncc(C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)cc4F)C[C@@]3(C)C2)n1	ZINC001092095746	954277009	/nfs/dbraw/zinc/27/70/09/954277009.db2.gz	ORGLCXBZRIPBPM-BEFAXECRSA-N	1	0	368.416	1.420	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]1C[N@H+](CC#Cc1ccc(F)cc1)C2	ZINC001092216055	954545782	/nfs/dbraw/zinc/54/57/82/954545782.db2.gz	ZUWGEKBLFASGKJ-MMOPVJDHSA-N	1	0	369.440	1.236	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@@]2(C)C1	ZINC001092232331	954578393	/nfs/dbraw/zinc/57/83/93/954578393.db2.gz	HTFFRZSZDLMVSN-NBCNXNJRSA-N	1	0	367.493	1.467	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc4c(c3)nc[nH]c4=O)C[C@]2(C)C1	ZINC001092278308	954679664	/nfs/dbraw/zinc/67/96/64/954679664.db2.gz	LPLLOJCACQZSOK-QRWLVFNGSA-N	1	0	350.422	1.753	20	30		FDEDRO
C[C@]12CN(C(=O)Cn3cncn3)C[C@H]1C[N@H+](Cc1ccc(C#N)c(F)c1)C2	ZINC001092256706	954718163	/nfs/dbraw/zinc/71/81/63/954718163.db2.gz	ONCYQWJYKRIGJD-APWZRJJASA-N	1	0	368.416	1.269	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCN(C(=O)CCC)C3)C[C@]2(C)C1	ZINC001092297299	954733961	/nfs/dbraw/zinc/73/39/61/954733961.db2.gz	STNGWCNMFCHKFV-OPYAIIAOSA-N	1	0	359.514	1.829	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1C[C@H]2CN(c3cc(C)ncc3C#N)C[C@@]2(C)C1	ZINC001092297692	954735992	/nfs/dbraw/zinc/73/59/92/954735992.db2.gz	SIVGJIWTHXILTF-XLIONFOSSA-N	1	0	355.486	1.888	20	30		FDEDRO
Cc1nc(N2C[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)C[C@]3(C)C2)ccc1C#N	ZINC001092304040	954764219	/nfs/dbraw/zinc/76/42/19/954764219.db2.gz	XZGJVFYWBROXSE-XLIONFOSSA-N	1	0	367.497	1.888	20	30		FDEDRO
C[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@H]1CNC(=O)C[NH+]1CCCC1	ZINC001092364605	955030057	/nfs/dbraw/zinc/03/00/57/955030057.db2.gz	SKDYHAUEECWXQA-UKRRQHHQSA-N	1	0	361.877	1.891	20	30		FDEDRO
CC#CCN1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1nccn12	ZINC001092372249	955044462	/nfs/dbraw/zinc/04/44/62/955044462.db2.gz	INXZSJMIVCLPEC-GVDBMIGSSA-N	1	0	355.486	1.209	20	30		FDEDRO
C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)c1nccn12	ZINC001092374965	955050746	/nfs/dbraw/zinc/05/07/46/955050746.db2.gz	RIDYCRSOPVTJOR-RBSFLKMASA-N	1	0	352.442	1.558	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1CN(c2nccnc2C#N)C[C@H]1C	ZINC001092411593	955139201	/nfs/dbraw/zinc/13/92/01/955139201.db2.gz	KMDRWZCVSJTITQ-KFWWJZLASA-N	1	0	362.453	1.217	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC[C@@H]1CN(c2nccnc2C#N)C[C@H]1C	ZINC001092415961	955147575	/nfs/dbraw/zinc/14/75/75/955147575.db2.gz	KTYASWBTWDMDHJ-ZACQAIPSSA-N	1	0	370.501	1.800	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)[C@H]1CCC(=O)N1	ZINC001092508070	955285481	/nfs/dbraw/zinc/28/54/81/955285481.db2.gz	SDAGPUJGVWADIQ-SRCQZFHVSA-N	1	0	358.417	1.160	20	30		FDEDRO
Cc1c(C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]2C)nnn1C	ZINC001092518114	955302715	/nfs/dbraw/zinc/30/27/15/955302715.db2.gz	JWSVKKHWWQEMBA-MLGOLLRUSA-N	1	0	370.432	1.632	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC001092550997	955400895	/nfs/dbraw/zinc/40/08/95/955400895.db2.gz	CFXZKBUUJIODOO-HUUCEWRRSA-N	1	0	365.437	1.823	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC001092551328	955403049	/nfs/dbraw/zinc/40/30/49/955403049.db2.gz	WYZAXZVQKQYPLU-QLFBSQMISA-N	1	0	357.458	1.100	20	30		FDEDRO
Cc1cc(C)n(CC[N@@H+]2C[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)n1	ZINC001092532502	955498916	/nfs/dbraw/zinc/49/89/16/955498916.db2.gz	YBFIKSYWZYEYTB-CXAGYDPISA-N	1	0	354.458	1.698	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)[C@H]1CCNC(=O)C1	ZINC001092536845	955518106	/nfs/dbraw/zinc/51/81/06/955518106.db2.gz	NIZFNBWAODEGEK-HZSPNIEDSA-N	1	0	360.483	1.330	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CCNC(=O)C[N@H+](C)C1CCC1	ZINC001092595119	955588082	/nfs/dbraw/zinc/58/80/82/955588082.db2.gz	BEAXWWUMFXNVHO-HUUCEWRRSA-N	1	0	356.474	1.411	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3c2OCCCO3)C1	ZINC001197162368	972127637	/nfs/dbraw/zinc/12/76/37/972127637.db2.gz	VNVYSGYUFPNVMJ-USXIJHARSA-N	1	0	360.454	1.978	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@H]1CC(=O)N(C)C1	ZINC001092655578	955911510	/nfs/dbraw/zinc/91/15/10/955911510.db2.gz	SNHUITFCISHZTH-FHLIZLRMSA-N	1	0	354.454	1.221	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1C	ZINC001092676903	955990407	/nfs/dbraw/zinc/99/04/07/955990407.db2.gz	PAZNMQRWGNBCEF-KURKYZTESA-N	1	0	371.485	1.229	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CNC(=O)c3ccccc32)[C@H](C)C1	ZINC001092682672	956017021	/nfs/dbraw/zinc/01/70/21/956017021.db2.gz	LRBIQWYPPDVURA-MRRJBJDNSA-N	1	0	361.873	1.950	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)c1cn[nH]c(=O)c1	ZINC001092702824	956102334	/nfs/dbraw/zinc/10/23/34/956102334.db2.gz	SPHVLCQLYIGUCT-MLGOLLRUSA-N	1	0	369.400	1.691	20	30		FDEDRO
CC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1N(c1cncc(C#N)n1)CC2	ZINC001092706469	956124496	/nfs/dbraw/zinc/12/44/96/956124496.db2.gz	OUWBXXNZHOOPFV-VQIMIIECSA-N	1	0	356.474	1.555	20	30		FDEDRO
C[N@H+](CC(=O)NC[C@]12CCC[C@H]1N(c1cnc(C#N)cn1)CC2)C1CCC1	ZINC001092718741	956173204	/nfs/dbraw/zinc/17/32/04/956173204.db2.gz	URDIHOUDCNDRNA-YLJYHZDGSA-N	1	0	368.485	1.698	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(OC)nc2)C[C@H]1C	ZINC001092690061	956199125	/nfs/dbraw/zinc/19/91/25/956199125.db2.gz	YYSMPOBJYVGNMW-QRQLOZEOSA-N	1	0	370.497	1.372	20	30		FDEDRO
N#Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)CCn2ccnn2)C3)c(F)c1	ZINC001110489379	972164561	/nfs/dbraw/zinc/16/45/61/972164561.db2.gz	KPIDWFKXJFRMDY-NXHRZFHOSA-N	1	0	368.416	1.601	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)c3ccncc3CC)[C@H](C)C2)C1=O	ZINC001092755252	956282756	/nfs/dbraw/zinc/28/27/56/956282756.db2.gz	WLEROVYVGVUSDM-SZVBFZGTSA-N	1	0	370.497	1.729	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H](CNC(=O)c3cncn3C)[C@H](C)C2)cc1C#N	ZINC001092788158	956323441	/nfs/dbraw/zinc/32/34/41/956323441.db2.gz	JSNZNWZSNZIMGG-RHSMWYFYSA-N	1	0	367.453	1.798	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)c1cncn1C	ZINC001092789563	956326446	/nfs/dbraw/zinc/32/64/46/956326446.db2.gz	JLEOXZNUTVRGBC-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@]2(C)CN(c3ncccc3C#N)CCO2)CC[N@@H+]1C	ZINC001092778671	956422568	/nfs/dbraw/zinc/42/25/68/956422568.db2.gz	HQBKNMGDUUIEGT-SQGPQFPESA-N	1	0	371.485	1.395	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]2C)cc1	ZINC001092874589	956614341	/nfs/dbraw/zinc/61/43/41/956614341.db2.gz	PMNJPRRXAUGAKF-NSISKUIASA-N	1	0	366.465	1.223	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)[C@H]1CCNC1=O	ZINC001092883745	956658862	/nfs/dbraw/zinc/65/88/62/956658862.db2.gz	MXPREJBNDNEASH-WQVCFCJDSA-N	1	0	358.417	1.018	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1	ZINC001092888306	956798211	/nfs/dbraw/zinc/79/82/11/956798211.db2.gz	WCIXESZDLNLGEJ-WCVJEAGWSA-N	1	0	360.437	1.254	20	30		FDEDRO
C[NH+](C)C1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(C#N)n2)CCCC1	ZINC001092898536	956832152	/nfs/dbraw/zinc/83/21/52/956832152.db2.gz	MSXJMRBOBSPUPC-IKGGRYGDSA-N	1	0	368.485	1.839	20	30		FDEDRO
Cc1nc[nH]c(=O)c1C(=O)NC[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C	ZINC001092903659	956847169	/nfs/dbraw/zinc/84/71/69/956847169.db2.gz	PMCRQMSJKANQMH-CRAIPNDOSA-N	1	0	364.449	1.840	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[N@@H+](CCn3nc(C)nc3C)C[C@H]2C)c1	ZINC001092952736	956887591	/nfs/dbraw/zinc/88/75/91/956887591.db2.gz	QUKXEDAXOYNUCK-AUUYWEPGSA-N	1	0	366.469	1.269	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[N@H+](CCc3cnn(CC)c3)C[C@H]2C)c1	ZINC001092953150	956889622	/nfs/dbraw/zinc/88/96/22/956889622.db2.gz	YQRKHFMWUUUAOY-OXQOHEQNSA-N	1	0	365.481	1.820	20	30		FDEDRO
Cc1cc(C#N)nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C3)n1	ZINC001092924999	956926642	/nfs/dbraw/zinc/92/66/42/956926642.db2.gz	NYXRLOHRGAJXQZ-IKGGRYGDSA-N	1	0	354.458	1.367	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1	ZINC001092926754	956931369	/nfs/dbraw/zinc/93/13/69/956931369.db2.gz	NUCVRSVKRYNDFH-YVSFHVDLSA-N	1	0	354.458	1.449	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](CCCO[C@@H]2CCOC2)CC1	ZINC001197410849	972238029	/nfs/dbraw/zinc/23/80/29/972238029.db2.gz	IZKHSZDFDFJMLW-QYZOEREBSA-N	1	0	366.502	1.698	20	30		FDEDRO
Cc1nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C3)ccc1C#N	ZINC001093023202	957160220	/nfs/dbraw/zinc/16/02/20/957160220.db2.gz	NVFYDLRZGZBFLP-VXNCWWDNSA-N	1	0	353.470	1.828	20	30		FDEDRO
COC1(OC)CCOC[C@H]1N[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N	ZINC001197431969	972247042	/nfs/dbraw/zinc/24/70/42/972247042.db2.gz	MEEYQRNZWHAGAU-BXUZGUMPSA-N	1	0	351.403	1.463	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3c[nH]cn3)cc2)C1	ZINC001197433200	972247851	/nfs/dbraw/zinc/24/78/51/972247851.db2.gz	GQQHDLOSVSJQSN-QZTJIDSGSA-N	1	0	356.426	1.054	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@H](C)C(=O)NC)C[C@H]2C)cc1	ZINC001093032010	957245023	/nfs/dbraw/zinc/24/50/23/957245023.db2.gz	SERSKGNQIQVKFK-BFYDXBDKSA-N	1	0	357.454	1.131	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C)nn1	ZINC001093035949	957255831	/nfs/dbraw/zinc/25/58/31/957255831.db2.gz	YOUIULVQIONQFS-NVXWUHKLSA-N	1	0	354.458	1.747	20	30		FDEDRO
C[N@H+](CC(=O)N[C@]12CCC[C@H]1CN(c1cnc(C#N)cn1)C2)CC(C)(C)C	ZINC001093103755	957449484	/nfs/dbraw/zinc/44/94/84/957449484.db2.gz	PKXSGUZLHJZDFP-YWZLYKJASA-N	1	0	370.501	1.801	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1CN(c1nc(C)cc(C#N)n1)C2	ZINC001093091907	957538767	/nfs/dbraw/zinc/53/87/67/957538767.db2.gz	SDZMERFABWDBFL-KXBFYZLASA-N	1	0	356.474	1.474	20	30		FDEDRO
Cc1cc(C#N)nc(N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C(F)(F)F)n1	ZINC001093115647	957558108	/nfs/dbraw/zinc/55/81/08/957558108.db2.gz	LDFNPBWXGFOZRR-CHWSQXEVSA-N	1	0	370.379	1.410	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)c1cccn(C)c1=O	ZINC001093139711	957633992	/nfs/dbraw/zinc/63/39/92/957633992.db2.gz	QNZLCNZUZGMISH-CRAIPNDOSA-N	1	0	364.449	1.755	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)[C@@H]1CCC(=O)N1	ZINC001093139533	957634043	/nfs/dbraw/zinc/63/40/43/957634043.db2.gz	IJGUPQNVKDPUEI-KYJSFNMBSA-N	1	0	370.453	1.052	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3cccnc3OC)C[C@H]2C)cn1	ZINC001093142812	957639542	/nfs/dbraw/zinc/63/95/42/957639542.db2.gz	DKLXTDPBPREASD-CRAIPNDOSA-N	1	0	364.449	1.964	20	30		FDEDRO
CC(=O)N1CC[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2C)C1	ZINC001093163696	957713068	/nfs/dbraw/zinc/71/30/68/957713068.db2.gz	KXPZWGAZOQTLDU-UIAACRFSSA-N	1	0	368.481	1.611	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(C(=O)CC)C2)C1	ZINC001197551154	972297430	/nfs/dbraw/zinc/29/74/30/972297430.db2.gz	CSYFOEYFHOKJTO-GVDBMIGSSA-N	1	0	353.507	1.377	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@H]1CCC(=O)N(C)C1	ZINC001093230867	957870006	/nfs/dbraw/zinc/87/00/06/957870006.db2.gz	XDEFDEJCGDBFQR-AYOQOUSVSA-N	1	0	368.481	1.611	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3cnc(C)cn3)C[C@H]2C)C1=O	ZINC001093270427	957918089	/nfs/dbraw/zinc/91/80/89/957918089.db2.gz	IFFNPTLUOMNHGN-OIISXLGYSA-N	1	0	371.485	1.260	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H]3CCCNC3=O)C2)c1	ZINC001093284618	957965687	/nfs/dbraw/zinc/96/56/87/957965687.db2.gz	JEAFQDYVWFUIOQ-QGPMSJSTSA-N	1	0	354.454	1.029	20	30		FDEDRO
C=C[C@H]1C[C@]1(NC(=O)c1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C(=O)OCC	ZINC001197619197	972312976	/nfs/dbraw/zinc/31/29/76/972312976.db2.gz	HNBYZXWQKUIZSL-SQGPQFPESA-N	1	0	358.438	1.491	20	30		FDEDRO
C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)CCO2	ZINC001093400080	958037522	/nfs/dbraw/zinc/03/75/22/958037522.db2.gz	FBDVKPOFJXYUGS-BOHSKOPMSA-N	1	0	365.518	1.411	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnsn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093433702	958061306	/nfs/dbraw/zinc/06/13/06/958061306.db2.gz	JLNSBIVSCNEINY-MMTVNHQJSA-N	1	0	350.488	1.694	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)c2cc(C#N)c[nH]2)C[C@]12C[C@@H](O)[C@H]([NH2+]CC1CC1)C2	ZINC001093438896	958073383	/nfs/dbraw/zinc/07/33/83/958073383.db2.gz	HMZZUCNPFUFAFA-XSYGEPLQSA-N	1	0	356.470	1.876	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cc[nH]n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093439397	958074130	/nfs/dbraw/zinc/07/41/30/958074130.db2.gz	MENOFMOEMRJOGR-AHCXZYCDSA-N	1	0	366.893	1.671	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)c2ccc(C#N)[nH]2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CC1CC1)C2	ZINC001093441792	958079029	/nfs/dbraw/zinc/07/90/29/958079029.db2.gz	DVWMMVZVGSSDHJ-SOAMZJECSA-N	1	0	356.470	1.876	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)C#CC2CC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCn1cccn1)C2	ZINC001093444128	958088756	/nfs/dbraw/zinc/08/87/56/958088756.db2.gz	ZSEVUWIKZKEGIG-VURPSTOHSA-N	1	0	370.497	1.263	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3ccncn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093445038	958090418	/nfs/dbraw/zinc/09/04/18/958090418.db2.gz	AOKLEPWWHGQEDG-HNBVOPMISA-N	1	0	358.486	1.561	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(OC)ns3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093446722	958096564	/nfs/dbraw/zinc/09/65/64/958096564.db2.gz	LCBPTFVGQYXNEL-FAELENHSSA-N	1	0	365.499	1.917	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C)nn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093446782	958096795	/nfs/dbraw/zinc/09/67/95/958096795.db2.gz	LZUFSIWNRRVBLB-DNNBLBMLSA-N	1	0	367.881	1.147	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C)nn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093447364	958099736	/nfs/dbraw/zinc/09/97/36/958099736.db2.gz	UTTANAARLRVZDE-MLYOOKFZSA-N	1	0	358.486	1.941	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@H]1C(C)C	ZINC001093447998	958104877	/nfs/dbraw/zinc/10/48/77/958104877.db2.gz	CCPUTGVCBBPFEY-GGKPKWOWSA-N	1	0	371.909	1.217	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc(CC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093449464	958116470	/nfs/dbraw/zinc/11/64/70/958116470.db2.gz	HHUNNGMHCAZJAF-ANTGDGSKSA-N	1	0	355.482	1.857	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc4occc4[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093449790	958117912	/nfs/dbraw/zinc/11/79/12/958117912.db2.gz	QLABDQFHDPXMSB-QQTQMKHKSA-N	1	0	355.438	1.974	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccn(C(F)F)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093450453	958123566	/nfs/dbraw/zinc/12/35/66/958123566.db2.gz	VDQBXGICWKWNJG-ZXFNITATSA-N	1	0	366.412	1.491	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3[nH]c(=O)[nH]c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093451847	958135357	/nfs/dbraw/zinc/13/53/57/958135357.db2.gz	ZGEHENQPGUTBTD-NPNMTCQASA-N	1	0	362.474	1.580	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc4ccccn43)[C@H]2C(C)C)C[C@H]1O	ZINC001093452147	958138487	/nfs/dbraw/zinc/13/84/87/958138487.db2.gz	DJRRGSBQTYVZBT-QSRMWPQZSA-N	1	0	366.465	1.547	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093424006	958175670	/nfs/dbraw/zinc/17/56/70/958175670.db2.gz	OOAWLMPWNYETNS-KBEGMRNHSA-N	1	0	364.877	1.809	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3n[nH]c4c3CCCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093459824	958185289	/nfs/dbraw/zinc/18/52/89/958185289.db2.gz	WFXHCHYOOSSQAK-PLOVASNDSA-N	1	0	370.497	1.501	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C)[nH]c3=O)[C@H]2C(C)C)C[C@H]1O	ZINC001093465837	958206305	/nfs/dbraw/zinc/20/63/05/958206305.db2.gz	JUCGOBXGZWLDAX-WWNBULGVSA-N	1	0	359.470	1.861	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(COC)on3)[C@H]2C(C)C)C[C@H]1O	ZINC001093466140	958207175	/nfs/dbraw/zinc/20/71/75/958207175.db2.gz	LSKXJUAFHJKGIO-VXNCWWDNSA-N	1	0	361.442	1.034	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc4cccnn43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093466803	958211509	/nfs/dbraw/zinc/21/15/09/958211509.db2.gz	PYBSANDGPPCGRT-XLBJILASSA-N	1	0	366.465	1.547	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)c2c[nH+]ccc2N(C)C)C[C@@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001093472694	958239892	/nfs/dbraw/zinc/23/98/92/958239892.db2.gz	KPJJMQNVJDBIRV-DLVXIWMQSA-N	1	0	371.485	1.251	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc(OC)nc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093472678	958240984	/nfs/dbraw/zinc/24/09/84/958240984.db2.gz	MKJJSBZXMAIECG-NNFUDEMPSA-N	1	0	360.458	1.251	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn4ccccc4n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093472928	958241888	/nfs/dbraw/zinc/24/18/88/958241888.db2.gz	LUGILVRFEHGYFT-STQYRHOTSA-N	1	0	366.465	1.547	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(CC4CC4)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093474304	958247357	/nfs/dbraw/zinc/24/73/57/958247357.db2.gz	URACELCPLCYVFE-ANTGDGSKSA-N	1	0	370.497	1.506	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(Cl)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093474625	958248688	/nfs/dbraw/zinc/24/86/88/958248688.db2.gz	SYCJAAVUAILVML-VXIBKDFQSA-N	1	0	361.873	1.948	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(CCC)on3)[C@H]2C(C)C)C[C@H]1O	ZINC001093474835	958249670	/nfs/dbraw/zinc/24/96/70/958249670.db2.gz	WVZBSYKURPHHNT-XSYGEPLQSA-N	1	0	359.470	1.840	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(CCC)on3)[C@H]2C(C)C)C[C@H]1O	ZINC001093474821	958249751	/nfs/dbraw/zinc/24/97/51/958249751.db2.gz	WVZBSYKURPHHNT-FTEYMNFISA-N	1	0	359.470	1.840	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COc3ccsc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093475612	958253676	/nfs/dbraw/zinc/25/36/76/958253676.db2.gz	YXILKHOYZNSADL-FPAYPSAMSA-N	1	0	362.495	1.726	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COC3CCCCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452549	958258390	/nfs/dbraw/zinc/25/83/90/958258390.db2.gz	KPNZXRFLPAOUJS-VURPSTOHSA-N	1	0	362.514	1.935	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3csnn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093455620	958274580	/nfs/dbraw/zinc/27/45/80/958274580.db2.gz	PANYQIHIQLJLAQ-OEYIWLLWSA-N	1	0	370.906	1.870	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnc(OC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093456928	958279164	/nfs/dbraw/zinc/27/91/64/958279164.db2.gz	HFGBZZJHVFDLKT-JEWRLFTDSA-N	1	0	360.458	1.251	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)nc(OC)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093458187	958282092	/nfs/dbraw/zinc/28/20/92/958282092.db2.gz	BLFCQANAKSCTGR-REHHDOPLSA-N	1	0	371.481	1.612	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3cccnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093458880	958286948	/nfs/dbraw/zinc/28/69/48/958286948.db2.gz	PUZGLNHUKGWVLB-RMVXJAJNSA-N	1	0	355.482	1.614	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccn(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093478327	958293774	/nfs/dbraw/zinc/29/37/74/958293774.db2.gz	DYAUHSMKQWSPEL-YFHUEUNASA-N	1	0	366.893	1.752	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(CC)n(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093478471	958294581	/nfs/dbraw/zinc/29/45/81/958294581.db2.gz	CQXAPHUCHKZILR-XSYGEPLQSA-N	1	0	358.486	1.195	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)cc(=O)[nH]c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093480561	958303728	/nfs/dbraw/zinc/30/37/28/958303728.db2.gz	LWDKUGGRIJJUAR-IIZJSDIPSA-N	1	0	371.481	1.617	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001093617770	958345006	/nfs/dbraw/zinc/34/50/06/958345006.db2.gz	BKXAEQJASYWFKA-CZUORRHYSA-N	1	0	353.401	1.985	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001093621371	958354413	/nfs/dbraw/zinc/35/44/13/958354413.db2.gz	LUCKZNNIGPEDPZ-CZUORRHYSA-N	1	0	359.401	1.770	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCOC2CCOCC2)C1	ZINC001197666611	972342861	/nfs/dbraw/zinc/34/28/61/972342861.db2.gz	FYBVEOHVBOOVOR-QZTJIDSGSA-N	1	0	354.491	1.480	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001093648392	958427665	/nfs/dbraw/zinc/42/76/65/958427665.db2.gz	SBQZYMDDSKLXFM-GDBMZVCRSA-N	1	0	353.426	1.810	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnns2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001093655225	958445262	/nfs/dbraw/zinc/44/52/62/958445262.db2.gz	OCUXYCGPPGQSLI-UKRRQHHQSA-N	1	0	371.466	1.938	20	30		FDEDRO
Cc1c(C(=O)N2C[C@@H](C[NH2+]Cc3ccccc3C#N)[C@H](C)C2)nnn1C	ZINC001093688086	958505959	/nfs/dbraw/zinc/50/59/59/958505959.db2.gz	FSJGLAGLNGKIKM-CXAGYDPISA-N	1	0	352.442	1.493	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C(=O)N(C)C)cc2)[C@H](C)C1	ZINC001093672831	958514487	/nfs/dbraw/zinc/51/44/87/958514487.db2.gz	FUQVVPYOBZXXRP-IIDMSEBBSA-N	1	0	356.470	1.732	20	30		FDEDRO
Cc1c(-c2cc(C[NH2+]C[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C)on2)cnn1C	ZINC001093677822	958530793	/nfs/dbraw/zinc/53/07/93/958530793.db2.gz	FFJVTOMHQVHRBR-UMVBOHGHSA-N	1	0	370.457	1.727	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3cncc(F)c3)C[C@H]2C)C1=O	ZINC001093708658	958545223	/nfs/dbraw/zinc/54/52/23/958545223.db2.gz	KGXLXPQMYZNGIU-FRFSOERESA-N	1	0	360.433	1.305	20	30		FDEDRO
CCn1nc(C)c(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)n1	ZINC001093699910	958567039	/nfs/dbraw/zinc/56/70/39/958567039.db2.gz	OVYDYJXILJTIIC-IUODEOHRSA-N	1	0	355.446	1.304	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2COC(=O)C2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093714730	958579323	/nfs/dbraw/zinc/57/93/23/958579323.db2.gz	BSUCZZAQZQRACN-HZSPNIEDSA-N	1	0	361.467	1.757	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C)c1nnnn1C1CC1	ZINC001093722624	958599304	/nfs/dbraw/zinc/59/93/04/958599304.db2.gz	VUXOETRIGSBJFX-FRRDWIJNSA-N	1	0	368.445	1.267	20	30		FDEDRO
COc1ncccc1C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC001093725824	958610659	/nfs/dbraw/zinc/61/06/59/958610659.db2.gz	GTPAXTVAFNRKBZ-CZUORRHYSA-N	1	0	353.426	1.788	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2COCCN2C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093725847	958610776	/nfs/dbraw/zinc/61/07/76/958610776.db2.gz	HLTGGUQEYFYWAI-LZQZEXGQSA-N	1	0	356.470	1.073	20	30		FDEDRO
CCn1nncc1C(=O)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2C#N)[C@H](C)C1	ZINC001093756399	958689478	/nfs/dbraw/zinc/68/94/78/958689478.db2.gz	PZVMYQYQPWXVCY-CZUORRHYSA-N	1	0	370.432	1.807	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnsn2)[C@H](C)C1	ZINC001093779130	958875337	/nfs/dbraw/zinc/87/53/37/958875337.db2.gz	ZJFDEGCFFJRJSM-XOUADPBQSA-N	1	0	350.488	1.703	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)nn2)[C@H](C)C1	ZINC001093824671	958902988	/nfs/dbraw/zinc/90/29/88/958902988.db2.gz	DBBDXKDHGWDWGL-HZPDHXFCSA-N	1	0	369.469	1.971	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001093838865	958946812	/nfs/dbraw/zinc/94/68/12/958946812.db2.gz	MVXQCLNCAKILGX-IUODEOHRSA-N	1	0	360.433	1.393	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCC(=O)NC2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093817543	959013889	/nfs/dbraw/zinc/01/38/89/959013889.db2.gz	YPVQXJYPJVJBCX-ATZDWAIDSA-N	1	0	368.481	1.659	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H]3CCCNC3=O)[C@H](C)C2)cc1	ZINC001093870619	959056276	/nfs/dbraw/zinc/05/62/76/959056276.db2.gz	ZUMIJOYFSMULRX-SZVBFZGTSA-N	1	0	371.481	1.828	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CCc3cccnc3)C[C@H]2C)C1=O	ZINC001093897047	959260050	/nfs/dbraw/zinc/26/00/50/959260050.db2.gz	NZKLPHDNIPFBHJ-BHIYHBOVSA-N	1	0	370.497	1.485	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093961647	959364069	/nfs/dbraw/zinc/36/40/69/959364069.db2.gz	AULBHZFKUMCONP-ATZDWAIDSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CC(F)F)[C@H](C)C1	ZINC001093965763	959375091	/nfs/dbraw/zinc/37/50/91/959375091.db2.gz	OJNDSVNUENLJFR-CHWSQXEVSA-N	1	0	355.433	1.940	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)[C@H](C)C1	ZINC001093965500	959375454	/nfs/dbraw/zinc/37/54/54/959375454.db2.gz	BGGWOVATDWXJQS-OWCLPIDISA-N	1	0	371.547	1.164	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093940053	959406763	/nfs/dbraw/zinc/40/67/63/959406763.db2.gz	QZSKCAYUYSWWKM-CXAGYDPISA-N	1	0	366.421	1.748	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cc3cnoc3)C[C@H]2C)cc1C#N	ZINC001093988013	959433429	/nfs/dbraw/zinc/43/34/29/959433429.db2.gz	QULNUYVUQMKEGX-RDTXWAMCSA-N	1	0	368.437	1.982	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093981764	959532265	/nfs/dbraw/zinc/53/22/65/959532265.db2.gz	RZKGBYGYLMADNN-OLMNPRSZSA-N	1	0	354.454	1.221	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]Cc3nnc4n3CCOC4)[C@H](C)C2)C1	ZINC001094025271	959546330	/nfs/dbraw/zinc/54/63/30/959546330.db2.gz	XBSGRRXOQLNDNS-HUUCEWRRSA-N	1	0	359.474	1.349	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)c3nnc(C)o3)[C@H](C)C2)c1	ZINC001094027716	959548345	/nfs/dbraw/zinc/54/83/45/959548345.db2.gz	CFBMRRBUZRAHFX-IIYDPXPESA-N	1	0	353.426	1.813	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3cc(C)ns3)[C@H](C)C2)nn1	ZINC001094095301	959772196	/nfs/dbraw/zinc/77/21/96/959772196.db2.gz	MECUGIGTIKAXTQ-TZMCWYRMSA-N	1	0	360.487	1.727	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ncc(C)o3)[C@H](C)C2)nn1	ZINC001094100607	959784882	/nfs/dbraw/zinc/78/48/82/959784882.db2.gz	AJCCKFLXSAOJFH-UKRRQHHQSA-N	1	0	358.446	1.649	20	30		FDEDRO
C#C[C@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)[C@@H]1CCCO1	ZINC000775788954	972458146	/nfs/dbraw/zinc/45/81/46/972458146.db2.gz	KPKLCNPPQMSUCY-BPUTZDHNSA-N	1	0	354.244	1.959	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C3CC3)[nH]2)[C@H](C)C1	ZINC001094103327	959884378	/nfs/dbraw/zinc/88/43/78/959884378.db2.gz	LQHFHZNUBZBWQD-KBEGMRNHSA-N	1	0	373.501	1.847	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C[NH2+]Cc2nncn2C)[C@H](C)C1	ZINC001094159095	959930654	/nfs/dbraw/zinc/93/06/54/959930654.db2.gz	YFBUBUZLVRSWEZ-HUUCEWRRSA-N	1	0	370.457	1.273	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(OC)nc3)[C@H](C)C2)nc1	ZINC001094172622	959971297	/nfs/dbraw/zinc/97/12/97/959971297.db2.gz	UAJAMRKOZLHVIT-CRAIPNDOSA-N	1	0	364.449	1.964	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]Cc2coc(C)n2)[C@H](C)C1	ZINC001094174059	959974762	/nfs/dbraw/zinc/97/47/62/959974762.db2.gz	PWAMACTWMNKNAD-GDBMZVCRSA-N	1	0	368.437	1.888	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H]3CCN(CC=C)C3=O)[C@H](C)C2)cn1	ZINC001094174565	959978709	/nfs/dbraw/zinc/97/87/09/959978709.db2.gz	NWOGKOFOJRELIV-SZVBFZGTSA-N	1	0	366.465	1.148	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nnc(C(C)C)[nH]3)[C@H](C)C2)cn1	ZINC001094174739	959978747	/nfs/dbraw/zinc/97/87/47/959978747.db2.gz	RIKKFKDHKHONQT-GDBMZVCRSA-N	1	0	366.469	1.802	20	30		FDEDRO
CC(=O)N1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1	ZINC001094177726	959985590	/nfs/dbraw/zinc/98/55/90/959985590.db2.gz	UEGSXKWVMBXOGW-YSGRDPCXSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2C(=O)N(C)C)C1	ZINC001197851421	972476899	/nfs/dbraw/zinc/47/68/99/972476899.db2.gz	ONKREADRBZXXTR-BMGDILEWSA-N	1	0	359.470	1.518	20	30		FDEDRO
CC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1	ZINC001094248140	960179570	/nfs/dbraw/zinc/17/95/70/960179570.db2.gz	UEGSXKWVMBXOGW-CDHQVMDDSA-N	1	0	368.481	1.753	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001094255486	960227417	/nfs/dbraw/zinc/22/74/17/960227417.db2.gz	HPOUUDZPPBVNGN-OLMNPRSZSA-N	1	0	369.469	1.285	20	30		FDEDRO
Cc1nonc1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)[C@H](C)C1	ZINC001094255664	960228620	/nfs/dbraw/zinc/22/86/20/960228620.db2.gz	REYQCHQKWHKPSW-IAQYHMDHSA-N	1	0	357.389	1.887	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCOC1	ZINC001110155853	960267959	/nfs/dbraw/zinc/26/79/59/960267959.db2.gz	AZPBCSHBLMBUBJ-FZKCQIBNSA-N	1	0	364.490	1.008	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@@]3(CNC(=O)c4ccn(C)c4)CCC[C@@H]23)C1=O	ZINC001094393840	960342641	/nfs/dbraw/zinc/34/26/41/960342641.db2.gz	ZEDSZKJEDFCJCX-WAOWUJCRSA-N	1	0	370.497	1.786	20	30		FDEDRO
Cn1cnc(C=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)c1	ZINC000794472038	972496654	/nfs/dbraw/zinc/49/66/54/972496654.db2.gz	KMEZLFXIOMCUIT-UHFFFAOYSA-N	1	0	356.499	1.883	20	30		FDEDRO
Cn1cc(CC[N@@H+]2CC[C@@]3(CNC(=O)c4c[nH]c(C#N)c4)CCC[C@@H]23)cn1	ZINC001094397338	960348817	/nfs/dbraw/zinc/34/88/17/960348817.db2.gz	RSYNQPXWSVOSTL-UYAOXDASSA-N	1	0	366.469	1.837	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)CCC[C@@H]12	ZINC001094415016	960404288	/nfs/dbraw/zinc/40/42/88/960404288.db2.gz	JHZUHRGIHDYLAS-WRWLIDTKSA-N	1	0	369.469	1.147	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+](CC/C=C/CCC)C[C@H]1O	ZINC001197902962	972510563	/nfs/dbraw/zinc/51/05/63/972510563.db2.gz	AYHDQCQRWPBNTB-IKSUFZCESA-N	1	0	357.454	1.615	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc4c(cn3)OCCO4)CCC[C@@H]12	ZINC001094436412	960479292	/nfs/dbraw/zinc/47/92/92/960479292.db2.gz	RAILGGYNSMRUJS-UYAOXDASSA-N	1	0	355.438	1.851	20	30		FDEDRO
C[N@H+](CCC(=O)N1CCN(c2nccnc2C#N)CC1)Cc1ccccc1	ZINC001181138058	960610288	/nfs/dbraw/zinc/61/02/88/960610288.db2.gz	NCHPCOWVZKTTBM-UHFFFAOYSA-N	1	0	364.453	1.519	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cn(C)nc3[C@@H]3CCOC3)CCC[C@@H]12	ZINC001094478308	960653505	/nfs/dbraw/zinc/65/35/05/960653505.db2.gz	HPFRBBCYLUSZHC-HGHGUNKESA-N	1	0	370.497	1.922	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc(CN4CCCC4)on3)CCC[C@@H]12	ZINC001094512669	960698910	/nfs/dbraw/zinc/69/89/10/960698910.db2.gz	SQCPTAAKFHTWNN-UYAOXDASSA-N	1	0	356.470	1.878	20	30		FDEDRO
C#C[C@H]([NH2+][C@H](C)C(=O)N(C)C[C@@H]1COc2ccccc2O1)[C@@H]1CCCO1	ZINC000775794410	972527100	/nfs/dbraw/zinc/52/71/00/972527100.db2.gz	HVYVTFZGVCGLOU-NCOADZHNSA-N	1	0	358.438	1.444	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4n[nH]c(=O)n4c3)CCC[C@@H]12	ZINC001094535795	960754337	/nfs/dbraw/zinc/75/43/37/960754337.db2.gz	PFTKEYYKFIZPGG-DNVCBOLYSA-N	1	0	353.426	1.433	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4n[nH]c(=O)n4c3)CCC[C@@H]12	ZINC001094536042	960758074	/nfs/dbraw/zinc/75/80/74/960758074.db2.gz	ZYKLFMWOPLQUDM-DNVCBOLYSA-N	1	0	353.426	1.433	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2ccn(C)n2)CC3)cn1	ZINC001094563194	960818732	/nfs/dbraw/zinc/81/87/32/960818732.db2.gz	IPYACDRPOKVVHF-TZIWHRDSSA-N	1	0	363.465	1.971	20	30		FDEDRO
O=C(NC[C@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2)[C@@H]1CCC(=O)N1	ZINC001094563553	960821235	/nfs/dbraw/zinc/82/12/35/960821235.db2.gz	DYZNFYNLOBGTBH-NNMXDRDESA-N	1	0	365.477	1.678	20	30		FDEDRO
CCOCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1	ZINC001110163234	961159931	/nfs/dbraw/zinc/15/99/31/961159931.db2.gz	VMHJCISTUMMPFV-QYZOEREBSA-N	1	0	357.454	1.833	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCC(C)C)C2)C1	ZINC001094795384	961178032	/nfs/dbraw/zinc/17/80/32/961178032.db2.gz	NYBKLHJLITYJPJ-AYBZRNKSSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC(=O)N(C2C[NH+](CC3CCC3)C2)C1	ZINC001094795641	961179877	/nfs/dbraw/zinc/17/98/77/961179877.db2.gz	VEJHLMWBJADQHS-IEZWGBDMSA-N	1	0	361.486	1.169	20	30		FDEDRO
COc1ccc(C#CC(=O)N2Cc3nccn3C[C@H](C[NH+](C)C)C2)cc1	ZINC001182046166	961361012	/nfs/dbraw/zinc/36/10/12/961361012.db2.gz	HJSRMRLTGLKWPB-KRWDZBQOSA-N	1	0	352.438	1.463	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O	ZINC001182101544	961469442	/nfs/dbraw/zinc/46/94/42/961469442.db2.gz	SAOIGBIUNUHGAA-RDJZCZTQSA-N	1	0	365.499	1.608	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCN4C(=O)CC[C@H]4C3)CC2)cc1	ZINC001172164037	961522391	/nfs/dbraw/zinc/52/23/91/961522391.db2.gz	XPTILNCXLKGMND-MOPGFXCFSA-N	1	0	366.465	1.906	20	30		FDEDRO
CNC(=O)CO[C@H]1COC2(C1)CC[NH+]([C@H](C)Cc1ccc(C#N)cc1)CC2	ZINC001172304541	961616424	/nfs/dbraw/zinc/61/64/24/961616424.db2.gz	NXTQXFUGORUTOQ-VQIMIIECSA-N	1	0	371.481	1.875	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)CC1	ZINC000954095561	1013277687	/nfs/dbraw/zinc/27/76/87/1013277687.db2.gz	KNIOVBWRIGHGNO-NXHRZFHOSA-N	1	0	363.502	1.369	20	30		FDEDRO
C[C@@H](CCCC#N)[N@@H+]1CC[C@H]2[C@H](CO[C@@H]2CNC(=O)c2cnn(C)c2)C1	ZINC001172498408	961687659	/nfs/dbraw/zinc/68/76/59/961687659.db2.gz	KZZMGSQVRQJDDU-LEUOFYLZSA-N	1	0	359.474	1.569	20	30		FDEDRO
CCCCCCCC[C@@H](CC)[NH2+]CC(=O)NCC(=O)NCC(=O)OCC	ZINC001172502344	961689822	/nfs/dbraw/zinc/68/98/22/961689822.db2.gz	IRRIDVOWGIUHKA-MRXNPFEDSA-N	1	0	371.522	1.901	20	30		FDEDRO
C#CCN(C(=O)NCCCC[N@H+]1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1	ZINC000774169330	961797484	/nfs/dbraw/zinc/79/74/84/961797484.db2.gz	SFKXAAGJCFSWHN-SJORKVTESA-N	1	0	369.531	1.473	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC2CCS(=O)(=O)CC2)C[C@H]1C#N	ZINC001172968023	961854295	/nfs/dbraw/zinc/85/42/95/961854295.db2.gz	GUIRUOOORHOLMA-CABCVRRESA-N	1	0	371.503	1.692	20	30		FDEDRO
CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1	ZINC001172974718	961858241	/nfs/dbraw/zinc/85/82/41/961858241.db2.gz	RWBBNXRPXAVKPC-ILXRZTDVSA-N	1	0	350.463	1.879	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCN(c3cnccn3)C2)C[C@H]1C#N	ZINC001172973486	961858543	/nfs/dbraw/zinc/85/85/43/961858543.db2.gz	GXXYFBOAUCHBKQ-XHSDSOJGSA-N	1	0	372.473	1.937	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC3(COC(=O)N3)CC2)C[C@H]1C#N	ZINC001172991326	961901148	/nfs/dbraw/zinc/90/11/48/961901148.db2.gz	WQQCGVFGRJVXKX-KBPBESRZSA-N	1	0	364.446	1.852	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCC(=O)N3CCC[C@@H]3C2)C[C@H]1C#N	ZINC001172994712	961902447	/nfs/dbraw/zinc/90/24/47/961902447.db2.gz	YLVFYNPWAUKQCA-XHSDSOJGSA-N	1	0	362.474	1.975	20	30		FDEDRO
C=CCOC1CCC([N@@H+]2CCC[C@]3(C[C@H](OCC(=O)NC)CO3)C2)CC1	ZINC001173322282	962003373	/nfs/dbraw/zinc/00/33/73/962003373.db2.gz	BIIKBHULSHZBDA-BZWMRVRASA-N	1	0	366.502	1.886	20	30		FDEDRO
C=CCOC1CCC([N@H+]2CCO[C@H]3[C@H](OCC(=O)N(C)C)CC[C@@H]32)CC1	ZINC001173324987	962006253	/nfs/dbraw/zinc/00/62/53/962006253.db2.gz	XBFYLGLACNIWDH-YTAMNEBXSA-N	1	0	366.502	1.837	20	30		FDEDRO
CC(C)(O)C[NH+]1CCN(C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1	ZINC001173435316	962159045	/nfs/dbraw/zinc/15/90/45/962159045.db2.gz	LPPHKQWDMJFTKQ-UHFFFAOYSA-N	1	0	370.497	1.551	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C	ZINC001182623086	962332956	/nfs/dbraw/zinc/33/29/56/962332956.db2.gz	AUTZMZKSRPGKAU-ADGXKJENSA-N	1	0	358.280	1.091	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCOCC(F)F)C1	ZINC001182669326	962380581	/nfs/dbraw/zinc/38/05/81/962380581.db2.gz	LVQJJDKQGQMQSZ-ZXFNITATSA-N	1	0	360.445	1.933	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N(CCC)CCC)C1	ZINC001182670930	962381409	/nfs/dbraw/zinc/38/14/09/962381409.db2.gz	WNCLIJITPJESEA-KURKYZTESA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCc2ccco2)C1	ZINC001182670082	962381825	/nfs/dbraw/zinc/38/18/25/962381825.db2.gz	IZYHTLFCQNMSEW-OIISXLGYSA-N	1	0	361.442	1.068	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C[C@H]1C	ZINC001182676857	962386742	/nfs/dbraw/zinc/38/67/42/962386742.db2.gz	FYIDCBCYKTWJKJ-MJKGWSOKSA-N	1	0	360.502	1.800	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2cnn(CC)n2)C1	ZINC001182685567	962435305	/nfs/dbraw/zinc/43/53/05/962435305.db2.gz	XGJFDIAOPHAIOH-VYCZESIESA-N	1	0	361.490	1.463	20	30		FDEDRO
C=CCOCc1nn([C@@H]2C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C2)c2c1C[NH2+]C2	ZINC001173575771	962436723	/nfs/dbraw/zinc/43/67/23/962436723.db2.gz	LXVSILRTQALIIW-XYYAHUGASA-N	1	0	363.414	1.102	20	30		FDEDRO
CN(C)C(=O)Cn1cc2c(n1)[C@H](C[NH2+]C1CCC(C)(C#N)CC1)OCC2	ZINC001173586607	962462935	/nfs/dbraw/zinc/46/29/35/962462935.db2.gz	CGFRFDIQSJEUQH-WUJZJPHMSA-N	1	0	359.474	1.647	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)N(C)CC)C1	ZINC001182869247	962615498	/nfs/dbraw/zinc/61/54/98/962615498.db2.gz	MFJGVVKYUJXWDA-NDUPCHFUSA-N	1	0	365.518	1.520	20	30		FDEDRO
C=CCOCc1ncn2c1C[N@@H+]([C@H]1CCC[C@H](n3ncnn3)C1)CCC2	ZINC001173752752	962626088	/nfs/dbraw/zinc/62/60/88/962626088.db2.gz	ZPQZOPLBYYNQPD-HOTGVXAUSA-N	1	0	357.462	1.962	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CCc2ncc(Cn3cccn3)n2CC1	ZINC001183042867	962755132	/nfs/dbraw/zinc/75/51/32/962755132.db2.gz	GPZHXUWNZGQFND-UHFFFAOYSA-N	1	0	354.458	1.165	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CCN(CC(=O)N(C)c2ccccc2)CC1	ZINC001183044632	962758245	/nfs/dbraw/zinc/75/82/45/962758245.db2.gz	LTUMCVDBNVJDIH-UHFFFAOYSA-N	1	0	370.497	1.446	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1	ZINC001183361507	962987113	/nfs/dbraw/zinc/98/71/13/962987113.db2.gz	XXGIROSPNYRMIU-BRWVUGGUSA-N	1	0	362.474	1.281	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)/C=C(\C)C1CC1)C2	ZINC001110334303	963084618	/nfs/dbraw/zinc/08/46/18/963084618.db2.gz	HEDBGDBWFFHWJR-NBRYZUOOSA-N	1	0	374.485	1.465	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cccnc1	ZINC001175396652	963157995	/nfs/dbraw/zinc/15/79/95/963157995.db2.gz	MKVSTHPXRXLAPQ-BPQIPLTHSA-N	1	0	358.486	1.752	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCn1cncn1	ZINC001110185705	963169955	/nfs/dbraw/zinc/16/99/55/963169955.db2.gz	JSOVPGZRJMBOJL-MHORFTMASA-N	1	0	361.490	1.761	20	30		FDEDRO
CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H](C#N)Cc2ccc(O)cc2)CC1	ZINC001183615502	963192013	/nfs/dbraw/zinc/19/20/13/963192013.db2.gz	DBMMPRVAGCEMEZ-HNNXBMFYSA-N	1	0	359.426	1.348	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1cnn(C)n1	ZINC001175630741	963242846	/nfs/dbraw/zinc/24/28/46/963242846.db2.gz	URVPBAAXQJKPKW-NJAFHUGGSA-N	1	0	363.506	1.951	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCNC(=O)C1CC1	ZINC001175664705	963260779	/nfs/dbraw/zinc/26/07/79/963260779.db2.gz	YQIWXIPEABXFKZ-SZMVWBNQSA-N	1	0	365.518	1.758	20	30		FDEDRO
N#C[C@@H](NC(=O)CCC[NH+](Cc1ccccc1)Cc1ccccc1)C(N)=O	ZINC001183985659	963386690	/nfs/dbraw/zinc/38/66/90/963386690.db2.gz	ROLRXGVCBZKJEC-LJQANCHMSA-N	1	0	364.449	1.963	20	30		FDEDRO
C[C@@H]1CN(c2cc[nH+]cc2)CCN1CC#CCN1C(=O)c2ccccc2C1=O	ZINC001176281893	963400950	/nfs/dbraw/zinc/40/09/50/963400950.db2.gz	QZTZPDYVQUOWDA-QGZVFWFLSA-N	1	0	374.444	1.892	20	30		FDEDRO
COC(=O)C1CC2(C1)C[C@@H]([NH2+]C1CCC(C#N)CC1)CCS2(=O)=O	ZINC001184219677	963489085	/nfs/dbraw/zinc/48/90/85/963489085.db2.gz	XPWGYSZLAHLXCR-RDVIWEACSA-N	1	0	354.472	1.557	20	30		FDEDRO
CCCCCCCCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1	ZINC000774765584	963669405	/nfs/dbraw/zinc/66/94/05/963669405.db2.gz	AGMIXNDWANBONK-GOSISDBHSA-N	1	0	366.550	1.702	20	30		FDEDRO
CCCCCCCCNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1	ZINC000774765585	963669716	/nfs/dbraw/zinc/66/97/16/963669716.db2.gz	AGMIXNDWANBONK-SFHVURJKSA-N	1	0	366.550	1.702	20	30		FDEDRO
N#Cc1ccc(NC(=O)N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)cc1	ZINC001184725219	963703379	/nfs/dbraw/zinc/70/33/79/963703379.db2.gz	HSGGDVUFXYMSBS-IAGOWNOFSA-N	1	0	364.409	1.718	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(C#N)cc3)CC[C@@H]2C1	ZINC001184731469	963706148	/nfs/dbraw/zinc/70/61/48/963706148.db2.gz	LKZVQNNSPVUACQ-SJLPKXTDSA-N	1	0	358.442	1.759	20	30		FDEDRO
CO/N=C(\C(=O)N(c1ccc(C[NH3+])cc1)S(C)(=O)=O)c1ccco1	ZINC001177353220	963796209	/nfs/dbraw/zinc/79/62/09/963796209.db2.gz	JCWLDKHXEMJTAR-VKAVYKQESA-N	1	0	351.384	1.082	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CCC[NH2+]C[C@@H](O)COC)CC1CCCC1	ZINC001177423568	963824761	/nfs/dbraw/zinc/82/47/61/963824761.db2.gz	DEUATSQFKVGTMO-QRVBRYPASA-N	1	0	368.518	1.583	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CCC[NH2+][C@H](C)C(N)=O)CC1CCCC1	ZINC001177423584	963825218	/nfs/dbraw/zinc/82/52/18/963825218.db2.gz	FCLXNQUTEDAFIB-OIISXLGYSA-N	1	0	351.491	1.450	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CCC[NH2+][C@H](C)C(N)=O)CC1CCCC1	ZINC001177440666	963845954	/nfs/dbraw/zinc/84/59/54/963845954.db2.gz	PCCKEBRFQQPTCP-NJAFHUGGSA-N	1	0	365.518	1.840	20	30		FDEDRO
CCOC(=O)CCCc1ccc(C#N)cc1NC(=O)[C@H]1C[N@H+](C)CCN1C	ZINC001185255285	963884497	/nfs/dbraw/zinc/88/44/97/963884497.db2.gz	LPJDRNKFLMVVKO-GOSISDBHSA-N	1	0	372.469	1.628	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCOc2cccc(OC)c2)C1	ZINC001185758408	964088938	/nfs/dbraw/zinc/08/89/38/964088938.db2.gz	CAOMUSXMCUMXOD-LZQZEXGQSA-N	1	0	360.454	1.856	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCOc2ccc(OC)cc2)C1	ZINC001185758424	964089856	/nfs/dbraw/zinc/08/98/56/964089856.db2.gz	CQGPFTNMYRMHTI-LZQZEXGQSA-N	1	0	360.454	1.856	20	30		FDEDRO
C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1	ZINC000651159503	1013470715	/nfs/dbraw/zinc/47/07/15/1013470715.db2.gz	ZKRFUTWOOGUGKW-SFHVURJKSA-N	1	0	358.486	1.589	20	30		FDEDRO
C=CCC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)nn1	ZINC001185960988	964232574	/nfs/dbraw/zinc/23/25/74/964232574.db2.gz	BKVREFWWGMVVNV-DSLXNQLJSA-N	1	0	373.501	1.922	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCCCCCC[NH2+][C@H]1CCC(=O)NC1=O	ZINC001178508976	964261410	/nfs/dbraw/zinc/26/14/10/964261410.db2.gz	ADBULCOHKBKDEP-PMPSAXMXSA-N	1	0	365.474	1.039	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1ccncc1	ZINC001178517931	964266271	/nfs/dbraw/zinc/26/62/71/964266271.db2.gz	AQRGHRCAKLUBSJ-ZWKOTPCHSA-N	1	0	358.486	1.754	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@]2(C)CNC(=O)C2)C1	ZINC001186188948	964338966	/nfs/dbraw/zinc/33/89/66/964338966.db2.gz	GIICGWVUAIMXAX-HGHGUNKESA-N	1	0	371.456	1.507	20	30		FDEDRO
N#CCN1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)C[NH+]2CCCC2)C1	ZINC001186203847	964352080	/nfs/dbraw/zinc/35/20/80/964352080.db2.gz	UCQDTEZUJMKGNW-IEBWSBKVSA-N	1	0	358.461	1.967	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001186234515	964365868	/nfs/dbraw/zinc/36/58/68/964365868.db2.gz	ILDSGVZYGRLEME-ZIFCJYIRSA-N	1	0	356.470	1.758	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC2CCC2)C1	ZINC001186214470	964379121	/nfs/dbraw/zinc/37/91/21/964379121.db2.gz	ZZYQUOXHRLCZFU-AOIWGVFYSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)[C@H]1C	ZINC001178736330	964408507	/nfs/dbraw/zinc/40/85/07/964408507.db2.gz	VHVULIHGIKMJJV-NNXHMXCWSA-N	1	0	374.485	1.180	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(=O)NC(C)(C)C	ZINC001110379099	964419962	/nfs/dbraw/zinc/41/99/62/964419962.db2.gz	WBLQKFLEAGOKOX-MCIONIFRSA-N	1	0	350.463	1.298	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)CC12CCOCC2	ZINC001186409716	964476936	/nfs/dbraw/zinc/47/69/36/964476936.db2.gz	CQCZENIEODDZEK-BBWFWOEESA-N	1	0	352.475	1.211	20	30		FDEDRO
C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC2)CC12CCOCC2	ZINC001186424385	964503080	/nfs/dbraw/zinc/50/30/80/964503080.db2.gz	IMRUAUROJAZMBC-OTWHNJEPSA-N	1	0	360.498	1.670	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@]2(C)c2ccccc2)[C@H]1C	ZINC001179183989	964746142	/nfs/dbraw/zinc/74/61/42/964746142.db2.gz	IJOIHVSNJPRKFC-QUJKESNLSA-N	1	0	355.482	1.845	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc[nH]3)[C@@H]2C1	ZINC001186820232	964780369	/nfs/dbraw/zinc/78/03/69/964780369.db2.gz	WZYHXAVVTBTLGO-SOLBZPMBSA-N	1	0	358.486	1.974	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ccc(C(N)=O)cc2)C1	ZINC000962321357	1013530912	/nfs/dbraw/zinc/53/09/12/1013530912.db2.gz	KZLKJHZXIJUSQK-SYNTWQANSA-N	1	0	357.454	1.361	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)CSCC#N)[C@@H]3C2)cc1	ZINC001186917135	964876800	/nfs/dbraw/zinc/87/68/00/964876800.db2.gz	HBGACBSJGYQAAU-FUHWJXTLSA-N	1	0	370.478	1.878	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1CCC	ZINC001179528675	964890860	/nfs/dbraw/zinc/89/08/60/964890860.db2.gz	KITZYFNUTCOOCW-HZPDHXFCSA-N	1	0	366.506	1.701	20	30		FDEDRO
C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1	ZINC001179572935	964904537	/nfs/dbraw/zinc/90/45/37/964904537.db2.gz	IEMSVOUKABTRIX-ZWKOTPCHSA-N	1	0	363.502	1.446	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@]12C[C@@H](CO1)N(C(=O)OC(C)(C)C)C2	ZINC001179542949	964910506	/nfs/dbraw/zinc/91/05/06/964910506.db2.gz	JFCRLUFJGBDRKL-DOXZYTNZSA-N	1	0	365.474	1.531	20	30		FDEDRO
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1	ZINC001179585816	964917223	/nfs/dbraw/zinc/91/72/23/964917223.db2.gz	FBJVHUZUYAHIMX-CVEARBPZSA-N	1	0	365.474	1.226	20	30		FDEDRO
N#C[C@H]1C[C@H]1C(=O)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2	ZINC001186974856	964919023	/nfs/dbraw/zinc/91/90/23/964919023.db2.gz	INYVEIMHXHNNIC-HZPDHXFCSA-N	1	0	362.437	1.526	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCOCC(C)C)[C@@H]3C2)C1=O	ZINC001187002029	964944142	/nfs/dbraw/zinc/94/41/42/964944142.db2.gz	GWBAJWREGCWKTP-OKZBNKHCSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCCCCC[NH2+]Cc1cn(C)nn1	ZINC001179781193	964975821	/nfs/dbraw/zinc/97/58/21/964975821.db2.gz	OFGSSKDQWYOHJG-ROUUACIJSA-N	1	0	363.506	1.953	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCCCC[NH2+]CC(=O)NC1CC1	ZINC001179796859	964991950	/nfs/dbraw/zinc/99/19/50/964991950.db2.gz	AUWZNICVDVSTJJ-WMZOPIPTSA-N	1	0	351.491	1.512	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CCO[C@H]1C(=C)C	ZINC001179797128	964993185	/nfs/dbraw/zinc/99/31/85/964993185.db2.gz	NLPKYLOMBKBCKJ-BZSNNMDCSA-N	1	0	365.518	1.925	20	30		FDEDRO
COCC#CC(=O)N(Cc1nn(C(C)C)c2c1CC[NH2+]C2)c1nccs1	ZINC001187125584	965029506	/nfs/dbraw/zinc/02/95/06/965029506.db2.gz	PIICGTOKGNMNCP-UHFFFAOYSA-N	1	0	373.482	1.749	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H](C[NH3+])C(=O)OCC1c2ccccc2-c2ccccc21	ZINC001179902359	965041517	/nfs/dbraw/zinc/04/15/17/965041517.db2.gz	JPGSCBQMQJQLLO-DJJJIMSYSA-N	1	0	363.417	1.945	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)COCCC)[C@@H]2C1	ZINC001187150674	965047502	/nfs/dbraw/zinc/04/75/02/965047502.db2.gz	GUUKGSVABQESHA-OKZBNKHCSA-N	1	0	365.518	1.759	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1	ZINC001187326240	965190899	/nfs/dbraw/zinc/19/08/99/965190899.db2.gz	KKRJFEMCRNFJDK-OKZBNKHCSA-N	1	0	362.518	1.038	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCc2c(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)cccc2C1	ZINC000964376332	1013560219	/nfs/dbraw/zinc/56/02/19/1013560219.db2.gz	ADMIDVBEIUTUPC-IIDMSEBBSA-N	1	0	368.481	1.687	20	30		FDEDRO
COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCC[C@@H](C#N)C1	ZINC001180407372	965311342	/nfs/dbraw/zinc/31/13/42/965311342.db2.gz	KQLTVRSVFPPHKT-OKZBNKHCSA-N	1	0	355.438	1.670	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@H]2C[N@@H+](CCc3cnn(CC)c3)C[C@H]21	ZINC001187465649	965377966	/nfs/dbraw/zinc/37/79/66/965377966.db2.gz	KZIXYAWMMWAXOL-RBUKOAKNSA-N	1	0	360.502	1.961	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(CC)C3CC3)C[C@H]21	ZINC001187472869	965385464	/nfs/dbraw/zinc/38/54/64/965385464.db2.gz	QYLCUUITPWMANL-FUHWJXTLSA-N	1	0	363.502	1.513	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)c3ccc(F)cc3)C[C@H]21	ZINC001187598485	965519596	/nfs/dbraw/zinc/51/95/96/965519596.db2.gz	PVCMPQIJUCWOHY-QILLFSRXSA-N	1	0	357.429	1.559	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](CCc3ccccc3CC)C[C@H]21	ZINC001187605611	965554945	/nfs/dbraw/zinc/55/49/45/965554945.db2.gz	NRAPDFPDILTNAY-VQTJNVASSA-N	1	0	367.493	1.464	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)/C=C/c3ccc[nH]3)[C@@H]2C1	ZINC001187675266	965616014	/nfs/dbraw/zinc/61/60/14/965616014.db2.gz	SUAOOELHJQZIHD-SUVIQUNHSA-N	1	0	368.481	1.761	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc4c(c3)nnn4C)C[C@H]21	ZINC001187882020	965880593	/nfs/dbraw/zinc/88/05/93/965880593.db2.gz	JHUBEKCIZUGTAF-URLQWDBASA-N	1	0	367.453	1.039	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cnc(OC(C)C)cn3)[C@@H]2C1	ZINC001187924689	965907613	/nfs/dbraw/zinc/90/76/13/965907613.db2.gz	FAWBTYOGBDFPAY-DOTOQJQBSA-N	1	0	360.458	1.613	20	30		FDEDRO
C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ccnn3CC3CCC3)[C@@H]2C1	ZINC001187929659	965910945	/nfs/dbraw/zinc/91/09/45/965910945.db2.gz	IRVHGUWDINCPML-FUHWJXTLSA-N	1	0	371.485	1.132	20	30		FDEDRO
C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)Cc3c(C)cccc3C)[C@@H]2C1	ZINC001188063346	965986646	/nfs/dbraw/zinc/98/66/46/965986646.db2.gz	JBOQUVIKCMTVMA-PKOBYXMFSA-N	1	0	355.482	1.681	20	30		FDEDRO
C=C(C)CCC(=O)N1CC[C@H]2CN(CC(=O)NC(=O)NC(C)(C)C)C[C@H]21	ZINC001188080321	965996778	/nfs/dbraw/zinc/99/67/78/965996778.db2.gz	BQBAMNWNKODVNQ-LSDHHAIUSA-N	1	0	364.490	1.500	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCNC(=O)c3ccncc3)[C@@H]2C1	ZINC001188119130	966039390	/nfs/dbraw/zinc/03/93/90/966039390.db2.gz	VWQUZBQVBBFPFM-ZWKOTPCHSA-N	1	0	356.470	1.700	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCCS3(=O)=O)[C@@H]2C1	ZINC001188138435	966052833	/nfs/dbraw/zinc/05/28/33/966052833.db2.gz	YYMICUBVGZCAEW-DLBZAZTESA-N	1	0	371.547	1.525	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc4c3COCC4)[C@@H]2C1	ZINC001188173113	966075866	/nfs/dbraw/zinc/07/58/66/966075866.db2.gz	FEPOKJJGTNJYHD-FXAWDEMLSA-N	1	0	354.450	1.555	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)CC3(C(F)(F)F)CC3)[C@@H]2C1	ZINC001188181262	966082708	/nfs/dbraw/zinc/08/27/08/966082708.db2.gz	FPMRHQIXNYZZDO-MELADBBJSA-N	1	0	371.403	1.390	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2C[N@@H+]([C@H](CCCC)C(N)=O)C[C@H]21	ZINC001188212400	966127629	/nfs/dbraw/zinc/12/76/29/966127629.db2.gz	IFDPESAIANVFCC-LZLYRXPVSA-N	1	0	358.486	1.865	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc4c(c3)CCCO4)[C@@H]2C1	ZINC001188271128	966175886	/nfs/dbraw/zinc/17/58/86/966175886.db2.gz	JGISNCCFUXFOOW-VQTJNVASSA-N	1	0	368.477	1.737	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC3CC(F)(F)C3)[C@@H]2C1	ZINC001188370038	966242940	/nfs/dbraw/zinc/24/29/40/966242940.db2.gz	WERODDYIPLBKQC-AEGPPILISA-N	1	0	355.429	1.645	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(-c4ccccc4)nn3)[C@@H]2C1	ZINC001188450668	966323810	/nfs/dbraw/zinc/32/38/10/966323810.db2.gz	YMWQBNWQWFXWFR-QFBILLFUSA-N	1	0	367.453	1.616	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3cncc(OC)c3)[C@@H]2C1	ZINC001188503246	966380280	/nfs/dbraw/zinc/38/02/80/966380280.db2.gz	YVFXVPRNGMHRAA-PKOBYXMFSA-N	1	0	359.470	1.758	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(C)c(OC)c3)[C@@H]2C1	ZINC001188503081	966380978	/nfs/dbraw/zinc/38/09/78/966380978.db2.gz	UQHIHGDCYHJTFZ-RBUKOAKNSA-N	1	0	356.466	1.729	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCCCS3(=O)=O)[C@@H]2C1	ZINC001188561367	966394740	/nfs/dbraw/zinc/39/47/40/966394740.db2.gz	BLIVQJOTCSSJFA-YESZJQIVSA-N	1	0	369.531	1.299	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cn4cc(F)ccc4n3)[C@@H]2C1	ZINC001188698238	966505262	/nfs/dbraw/zinc/50/52/62/966505262.db2.gz	PROJKBFJVCFIHF-MAUKXSAKSA-N	1	0	370.428	1.198	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCCC#CC)[C@@H]2C1	ZINC001188867270	966607796	/nfs/dbraw/zinc/60/77/96/966607796.db2.gz	VCYWLZKQNDXFAV-RBUKOAKNSA-N	1	0	357.498	1.913	20	30		FDEDRO
COCC#CCN1C[C@@H]2CCN(C(=O)c3cccc(-n4cccn4)n3)[C@@H]2C1	ZINC001189102120	966774027	/nfs/dbraw/zinc/77/40/27/966774027.db2.gz	RTWWIRZWWBAKNK-FUHWJXTLSA-N	1	0	365.437	1.063	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)CCC)C2	ZINC001110405700	966848872	/nfs/dbraw/zinc/84/88/72/966848872.db2.gz	JVIWUAPDQWCYRW-TUVASFSCSA-N	1	0	350.463	1.156	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnnc4ccccc43)[C@@H]2C1	ZINC001189238281	966848986	/nfs/dbraw/zinc/84/89/86/966848986.db2.gz	XHYTXVBUOJWSAN-HNAYVOBHSA-N	1	0	352.438	1.979	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3Cc4cc(F)ccc4O3)[C@@H]2C1	ZINC001189277382	966895023	/nfs/dbraw/zinc/89/50/23/966895023.db2.gz	ZSNTVDSLMLERFB-POZUXBRTSA-N	1	0	358.413	1.312	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3Cc4cc(F)ccc4O3)[C@@H]2C1	ZINC001189277383	966896312	/nfs/dbraw/zinc/89/63/12/966896312.db2.gz	ZSNTVDSLMLERFB-YJLNNSPDSA-N	1	0	358.413	1.312	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3nc(C4CC4)no3)[C@@H]2C1	ZINC001189341584	966921921	/nfs/dbraw/zinc/92/19/21/966921921.db2.gz	FPYHNZXJXXZJIS-JKSUJKDBSA-N	1	0	360.458	1.615	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4n[nH]c(=O)n4c3)[C@@H]2C1	ZINC001189398827	966953997	/nfs/dbraw/zinc/95/39/97/966953997.db2.gz	OLQPRRCLEALZCM-OFQRWUPVSA-N	1	0	355.442	1.936	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1	ZINC001189444753	966993841	/nfs/dbraw/zinc/99/38/41/966993841.db2.gz	NAYPMSHAOGNHGQ-LSDHHAIUSA-N	1	0	350.463	1.041	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc4nc[nH]c43)[C@@H]2C1	ZINC001189499568	967014997	/nfs/dbraw/zinc/01/49/97/967014997.db2.gz	YEMXAYDYXNXBCQ-GRDNDAEWSA-N	1	0	367.453	1.400	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)CC(=O)NCC4CC4)[C@@H]3C2)cc1	ZINC001189723843	967178533	/nfs/dbraw/zinc/17/85/33/967178533.db2.gz	KQUSEINSMWKUAN-RBUKOAKNSA-N	1	0	366.465	1.507	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)CCCCC(N)=O)[C@@H]3C2)cc1	ZINC001189691859	967185071	/nfs/dbraw/zinc/18/50/71/967185071.db2.gz	KKESBTAEXDSKOG-ZWKOTPCHSA-N	1	0	354.454	1.637	20	30		FDEDRO
N#CC[C@H]1CCC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1	ZINC000852319506	967219901	/nfs/dbraw/zinc/21/99/01/967219901.db2.gz	NXNQZZTWDZZGLX-CQSZACIVSA-N	1	0	361.446	1.288	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCC12CC(C1)CN2C(=O)OC(C)(C)C	ZINC000852359311	967250705	/nfs/dbraw/zinc/25/07/05/967250705.db2.gz	GPGBOLUHMXKICZ-UHFFFAOYSA-N	1	0	364.490	1.640	20	30		FDEDRO
N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H](N3CCOC3=O)C2)sc2c1CCC2	ZINC000852436517	967306863	/nfs/dbraw/zinc/30/68/63/967306863.db2.gz	ZXWPVMGRXZUSFU-LBPRGKRZSA-N	1	0	374.466	1.964	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]32)nc1	ZINC001189851585	967353236	/nfs/dbraw/zinc/35/32/36/967353236.db2.gz	KWWAUBFMOLGZTD-OFQRWUPVSA-N	1	0	367.371	1.523	20	30		FDEDRO
COc1ccc(N2CC[NH+](C[C@@H](O)CN([C@H](C)C#N)C3CC3)CC2)cc1	ZINC000852479557	967363350	/nfs/dbraw/zinc/36/33/50/967363350.db2.gz	GNNGKGMWIKONQU-VQIMIIECSA-N	1	0	358.486	1.555	20	30		FDEDRO
C=CC[N@@H+](CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)C(C)(C)C	ZINC000852554102	967421223	/nfs/dbraw/zinc/42/12/23/967421223.db2.gz	CFJYFDLJNXBTFK-UHFFFAOYSA-N	1	0	350.463	1.805	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cnn4c3C[C@@H](C)CC4)[C@@H]2C1	ZINC001189969518	967423175	/nfs/dbraw/zinc/42/31/75/967423175.db2.gz	IVVHQYCQLZLBJZ-TXPKVOOTSA-N	1	0	358.486	1.814	20	30		FDEDRO
N#Cc1cccc(C2([NH2+]CC(=O)NCc3ccccn3)CCOCC2)c1	ZINC000852564317	967428665	/nfs/dbraw/zinc/42/86/65/967428665.db2.gz	GTHSKIPZDXZZHA-UHFFFAOYSA-N	1	0	350.422	1.865	20	30		FDEDRO
COC(=O)C1(C#N)CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1	ZINC000852586084	967446864	/nfs/dbraw/zinc/44/68/64/967446864.db2.gz	CCDZWOVHILWTGF-HNNXBMFYSA-N	1	0	362.474	1.882	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(=O)[nH]c3)[C@@H]2C1	ZINC001190013720	967464932	/nfs/dbraw/zinc/46/49/32/967464932.db2.gz	QRWXAIBQULPOLL-DLBZAZTESA-N	1	0	370.453	1.134	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCNC(C)=O)CCC1	ZINC001110652788	967465602	/nfs/dbraw/zinc/46/56/02/967465602.db2.gz	UWWPMWKYAXLOMR-KURKYZTESA-N	1	0	361.486	1.054	20	30		FDEDRO
C#C[C@H](NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C1CCOCC1	ZINC000852642155	967493576	/nfs/dbraw/zinc/49/35/76/967493576.db2.gz	IPMPYOZVJVKVCO-XNMUZJSGSA-N	1	0	374.529	1.367	20	30		FDEDRO
C#C[C@@H]([NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OC)c1)[C@@H]1CCCO1	ZINC000775341265	967518636	/nfs/dbraw/zinc/51/86/36/967518636.db2.gz	LBOMAFISUIUSMM-KGLIPLIRSA-N	1	0	352.818	1.483	20	30		FDEDRO
C#CC1CCN(C(=O)NC[C@@H]2CN(C)CCN2Cc2ccccc2)CC1	ZINC000852695630	967538166	/nfs/dbraw/zinc/53/81/66/967538166.db2.gz	DPACIKMNMNCSSF-HXUWFJFHSA-N	1	0	354.498	1.857	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(=O)n(CCC)n3)[C@@H]2C1	ZINC001190116118	967572517	/nfs/dbraw/zinc/57/25/17/967572517.db2.gz	HTGFBYHMYQWNPP-DOTOQJQBSA-N	1	0	360.458	1.002	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCO[C@@H]2CCOC2)c1	ZINC001110423219	967595535	/nfs/dbraw/zinc/59/55/35/967595535.db2.gz	MBPGSMKLFYRJJO-KONPQCLYSA-N	1	0	358.442	1.417	20	30		FDEDRO
CCOCCCNC(=O)c1cccc(NC(=O)C#CC2CC[NH2+]CC2)c1	ZINC000852811693	967625565	/nfs/dbraw/zinc/62/55/65/967625565.db2.gz	RFEQONDGCKMQGD-UHFFFAOYSA-N	1	0	357.454	1.785	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NCCS(=O)(=O)c1ccc(Cl)cc1	ZINC000852813752	967626357	/nfs/dbraw/zinc/62/63/57/967626357.db2.gz	OTNMXUCUSBDNSW-UHFFFAOYSA-N	1	0	354.859	1.233	20	30		FDEDRO
COc1ccc(NC(=O)[C@H]2CCCN2C(=O)C#CC2CC[NH2+]CC2)cc1	ZINC000852817055	967629981	/nfs/dbraw/zinc/62/99/81/967629981.db2.gz	NWIOTVSERHBAOX-GOSISDBHSA-N	1	0	355.438	1.628	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1	ZINC000852822991	967634350	/nfs/dbraw/zinc/63/43/50/967634350.db2.gz	BDOHVJIJOGWLJH-SFHVURJKSA-N	1	0	355.438	1.423	20	30		FDEDRO
N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2	ZINC000852827189	967638562	/nfs/dbraw/zinc/63/85/62/967638562.db2.gz	CNFRAUWGVCVPRV-PDOICOKGSA-N	1	0	368.437	1.263	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)Nc1cccc(C(=O)NCc2ccccn2)c1	ZINC000852859621	967665045	/nfs/dbraw/zinc/66/50/45/967665045.db2.gz	XGIWSTLIIMRCNA-UHFFFAOYSA-N	1	0	362.433	1.953	20	30		FDEDRO
N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ccc(F)c4occc43)[C@@H]2C1	ZINC001190241230	967689459	/nfs/dbraw/zinc/68/94/59/967689459.db2.gz	SOPUVGRXXYCLME-BLLLJJGKSA-N	1	0	370.384	1.358	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCNC(=O)c3cnccn3)[C@@H]2C1	ZINC001190255032	967697677	/nfs/dbraw/zinc/69/76/77/967697677.db2.gz	LDVDUALEVGKVPY-SOLBZPMBSA-N	1	0	371.485	1.484	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(N(C)C)c(F)c3)[C@@H]2C1	ZINC001190350675	967771538	/nfs/dbraw/zinc/77/15/38/967771538.db2.gz	IZHIKYSHVMNTLN-QFBILLFUSA-N	1	0	359.445	1.688	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(c3)[nH]c(=O)n4C)[C@@H]2C1	ZINC001190357549	967777300	/nfs/dbraw/zinc/77/73/00/967777300.db2.gz	CQZYVLCYAMHUEK-MAUKXSAKSA-N	1	0	368.437	1.075	20	30		FDEDRO
C#CC[C@H](Cc1ccccc1)[NH2+][C@H](C)C(=O)N1CCN(C(=O)OCC)CC1	ZINC000853076140	967811401	/nfs/dbraw/zinc/81/14/01/967811401.db2.gz	IBZPKRILUYMXDB-IEBWSBKVSA-N	1	0	371.481	1.900	20	30		FDEDRO
C#C[C@@H]([NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2)C1CCOCC1	ZINC000853116452	967840826	/nfs/dbraw/zinc/84/08/26/967840826.db2.gz	JTTUDNVPEGCZTR-FUHWJXTLSA-N	1	0	358.438	1.329	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CCNC(=O)CC(C)C)[C@@H]2C1	ZINC001190527161	967922252	/nfs/dbraw/zinc/92/22/52/967922252.db2.gz	LOQOAWXGFXGIDY-DLBZAZTESA-N	1	0	351.491	1.274	20	30		FDEDRO
CC(C)[NH+]1CCN(CCNS(=O)(=O)c2cc(C#N)ccc2F)CC1	ZINC001190664116	967986268	/nfs/dbraw/zinc/98/62/68/967986268.db2.gz	BQXMZIHTDODFHP-UHFFFAOYSA-N	1	0	354.451	1.002	20	30		FDEDRO
Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1	ZINC000853556623	968116260	/nfs/dbraw/zinc/11/62/60/968116260.db2.gz	GDOOUOMHBIMIDO-IRXDYDNUSA-N	1	0	350.426	1.683	20	30		FDEDRO
C[C@]1(C#N)CCN(CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)C1	ZINC000853596342	968166239	/nfs/dbraw/zinc/16/62/39/968166239.db2.gz	FFAHJQKFISNQLH-FUHIMQAGSA-N	1	0	352.438	1.296	20	30		FDEDRO
Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CCC(N2CCOC2=O)CC1	ZINC000853609730	968185178	/nfs/dbraw/zinc/18/51/78/968185178.db2.gz	JHQICJPVOWIQDF-UHFFFAOYSA-N	1	0	366.425	1.999	20	30		FDEDRO
CO[C@@H](CO[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCOC1	ZINC000853673507	968240575	/nfs/dbraw/zinc/24/05/75/968240575.db2.gz	WKTWCSDVRPCXMF-QAPCUYQASA-N	1	0	363.458	1.336	20	30		FDEDRO
C[NH+](C)CCn1cc(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cn1	ZINC000867066646	968459832	/nfs/dbraw/zinc/45/98/32/968459832.db2.gz	PBOOLVBLWSRTRB-SFHVURJKSA-N	1	0	353.426	1.530	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC1CCCC1)C2	ZINC001110678170	968568754	/nfs/dbraw/zinc/56/87/54/968568754.db2.gz	LKIGRZYEWRSACV-HPBDAGMYSA-N	1	0	361.486	1.053	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCc2ccc(CC)cc2)C[C@H]1O	ZINC001191622662	968631385	/nfs/dbraw/zinc/63/13/85/968631385.db2.gz	VGPXMGXDHAPENQ-NSISKUIASA-N	1	0	360.498	1.934	20	30		FDEDRO
C#CCCN(CCOC)C(=O)NCC1CC[NH+](C2CCOCC2)CC1	ZINC000854272885	968728638	/nfs/dbraw/zinc/72/86/38/968728638.db2.gz	VZQVAYVNDNASCO-UHFFFAOYSA-N	1	0	351.491	1.559	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2cnc(-c3ccccc3)s2)C[C@H]1O	ZINC001191880529	968832142	/nfs/dbraw/zinc/83/21/42/968832142.db2.gz	ATVVOBNIQKLCQD-APHBMKBZSA-N	1	0	356.451	1.631	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@H]1O	ZINC001192046913	968900020	/nfs/dbraw/zinc/90/00/20/968900020.db2.gz	YLUJIUBVZIHNCN-RTBURBONSA-N	1	0	369.465	1.879	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCC(F)(F)C2)C[C@H]1O	ZINC001192053606	968930547	/nfs/dbraw/zinc/93/05/47/968930547.db2.gz	BIWSRAKCQNAVSB-BZUAXINKSA-N	1	0	360.445	1.956	20	30		FDEDRO
C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1	ZINC001192331948	969068159	/nfs/dbraw/zinc/06/81/59/969068159.db2.gz	BMKTXXSIILCTSI-FGTMMUONSA-N	1	0	365.518	1.901	20	30		FDEDRO
C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1	ZINC001192331950	969068491	/nfs/dbraw/zinc/06/84/91/969068491.db2.gz	BMKTXXSIILCTSI-OKZBNKHCSA-N	1	0	365.518	1.901	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)/C=C(/C)CC)C1	ZINC001192722086	969266086	/nfs/dbraw/zinc/26/60/86/969266086.db2.gz	IADJHJQDOHTOLM-PBWVXLFKSA-N	1	0	351.491	1.317	20	30		FDEDRO
C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1	ZINC001192794858	969301303	/nfs/dbraw/zinc/30/13/03/969301303.db2.gz	OUWGSPRROWAKHM-KZNAEPCWSA-N	1	0	362.474	1.024	20	30		FDEDRO
CC(C)(C)C#CC(=O)N[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@H]1O	ZINC001192813011	969312081	/nfs/dbraw/zinc/31/20/81/969312081.db2.gz	CKVDQUYQGFRPES-RTBURBONSA-N	1	0	356.466	1.470	20	30		FDEDRO
CC(C)(C)C#CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)CCc2ccccc2)C[C@H]1O	ZINC001192871881	969326421	/nfs/dbraw/zinc/32/64/21/969326421.db2.gz	YBNKJBIKXSTXGD-IPMKNSEASA-N	1	0	358.482	1.191	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccc3c(c2)CCC3)C[C@H]1O	ZINC001192890736	969350245	/nfs/dbraw/zinc/35/02/45/969350245.db2.gz	BTMNNICGLVDBHB-CDHQVMDDSA-N	1	0	356.466	1.438	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@H]1O	ZINC001192924828	969382394	/nfs/dbraw/zinc/38/23/94/969382394.db2.gz	POZLXRNYPGCAFD-GUDVDZBRSA-N	1	0	368.518	1.727	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](OCC)C2=CCCC2)C1	ZINC001192997076	969398335	/nfs/dbraw/zinc/39/83/35/969398335.db2.gz	KWIRRBRUYHAOPC-KURKYZTESA-N	1	0	352.475	1.256	20	30		FDEDRO
C[NH+](C)CCN([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)CC#N	ZINC001192972744	969413024	/nfs/dbraw/zinc/41/30/24/969413024.db2.gz	ABSDCAFETZGZOU-CQSZACIVSA-N	1	0	374.507	1.103	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)NC(=O)C3)C1	ZINC001193222082	969550564	/nfs/dbraw/zinc/55/05/64/969550564.db2.gz	HMCNYYNVWDOIPC-QZTJIDSGSA-N	1	0	357.454	1.703	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)ccc3C)C[C@H]2O)CCOCC1	ZINC001193628995	969775447	/nfs/dbraw/zinc/77/54/47/969775447.db2.gz	ILLXRDFLASGEDD-WOJBJXKFSA-N	1	0	370.493	1.785	20	30		FDEDRO
C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC(O)(CC#N)C1	ZINC001193713427	969837454	/nfs/dbraw/zinc/83/74/54/969837454.db2.gz	GVPCRKSNFBXULE-INIZCTEOSA-N	1	0	356.470	1.116	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O	ZINC001193892217	969910866	/nfs/dbraw/zinc/91/08/66/969910866.db2.gz	GJKMWZQMNPNSEU-XUVXKRRUSA-N	1	0	355.482	1.074	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(-c3ccccn3)n2)C1	ZINC001194409486	970162402	/nfs/dbraw/zinc/16/24/02/970162402.db2.gz	WDWROXXIPKCSGU-FRFSOERESA-N	1	0	356.426	1.866	20	30		FDEDRO
COC(=O)N1CCC([C@@H](C)[NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000776811025	970335965	/nfs/dbraw/zinc/33/59/65/970335965.db2.gz	MJRJXGCIIMSWHO-PBHICJAKSA-N	1	0	361.442	1.754	20	30		FDEDRO
COc1ccc(-c2n[nH]cc2C[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1	ZINC000113360883	970410509	/nfs/dbraw/zinc/41/05/09/970410509.db2.gz	FYEKXOYWXSGOQY-VHEBQXMUSA-N	1	0	367.409	1.701	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H](F)C(C)C)C[C@H]2C)CC1	ZINC000957865848	1013988561	/nfs/dbraw/zinc/98/85/61/1013988561.db2.gz	PTOXVKIFTAHHQP-DJIMGWMZSA-N	1	0	351.466	1.289	20	30		FDEDRO
C[N@H+](C1CN(C(=O)c2ccc(C#CBr)cc2)C1)[C@H]1CCOC1	ZINC001194806784	970430112	/nfs/dbraw/zinc/43/01/12/970430112.db2.gz	SXWAJNMUHGJZOX-HNNXBMFYSA-N	1	0	363.255	1.936	20	30		FDEDRO
CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)C1	ZINC000776819773	970485147	/nfs/dbraw/zinc/48/51/47/970485147.db2.gz	CSVYZQOAEGGCFN-GLJUWKHASA-N	1	0	350.463	1.641	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3c(c2)c(C)nn3C)C1	ZINC001195128966	970709097	/nfs/dbraw/zinc/70/90/97/970709097.db2.gz	RRHWYPCKLWMFOI-JCURWCKSSA-N	1	0	357.458	1.406	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C1	ZINC001197974841	972620702	/nfs/dbraw/zinc/62/07/02/972620702.db2.gz	UDIJFRMGGOOHQU-RCCFBDPRSA-N	1	0	353.507	1.445	20	30		FDEDRO
COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC(=O)NCc2cccc(C#N)c2)C1	ZINC000775811390	972626976	/nfs/dbraw/zinc/62/69/76/972626976.db2.gz	PHBPLUHMLXZQKU-PBHICJAKSA-N	1	0	358.442	1.631	20	30		FDEDRO
Cn1ncc(I)c1C=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1	ZINC000863103607	972667060	/nfs/dbraw/zinc/66/70/60/972667060.db2.gz	FBPXIILFRFFBOW-AOOOYVTPSA-N	1	0	372.214	1.219	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2sc(COC)nc2C)C1	ZINC001198186133	972903234	/nfs/dbraw/zinc/90/32/34/972903234.db2.gz	NODPPKIFRHNGAO-MRVWCRGKSA-N	1	0	353.488	1.728	20	30		FDEDRO
C#CCC[NH+]1CCC(NS(=O)(=O)c2cc(C(F)(F)F)nn2C)CC1	ZINC000863443949	972923763	/nfs/dbraw/zinc/92/37/63/972923763.db2.gz	YIYFVALPWCORTF-UHFFFAOYSA-N	1	0	364.393	1.205	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@H+](C[C@H](OCC)C3CC3)C[C@H]2O)CCOCC1	ZINC001198239407	972927073	/nfs/dbraw/zinc/92/70/73/972927073.db2.gz	LLGLGWLMMIKHST-KURKYZTESA-N	1	0	366.502	1.336	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc(OC)c(OC)c2)C1	ZINC001198286802	972953091	/nfs/dbraw/zinc/95/30/91/972953091.db2.gz	ZBSOGKVEDZCXSH-USXIJHARSA-N	1	0	362.470	1.762	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)C1	ZINC000863553191	973010077	/nfs/dbraw/zinc/01/00/77/973010077.db2.gz	WNHINJCGRPQMOH-HZPDHXFCSA-N	1	0	361.442	1.897	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000863553998	973011512	/nfs/dbraw/zinc/01/15/12/973011512.db2.gz	PBHKXGZIRPFPSF-OAHLLOKOSA-N	1	0	353.463	1.514	20	30		FDEDRO
CC[C@H](C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)NC(=O)OC(C)(C)C	ZINC000863558148	973015837	/nfs/dbraw/zinc/01/58/37/973015837.db2.gz	XDQDLVRNGQEKAH-CABCVRRESA-N	1	0	355.479	1.951	20	30		FDEDRO
C[C@@H]1CC[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)CN1C(=O)OC(C)(C)C	ZINC000863582860	973033136	/nfs/dbraw/zinc/03/31/36/973033136.db2.gz	VRXWCKLFZJDFEL-PMPSAXMXSA-N	1	0	354.495	1.570	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCCCC2=O)C1	ZINC001198459510	973124735	/nfs/dbraw/zinc/12/47/35/973124735.db2.gz	WQFRUGQYDNDODR-IAGOWNOFSA-N	1	0	353.507	1.521	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COc2cccc(Cl)c2)C1	ZINC001198481874	973190940	/nfs/dbraw/zinc/19/09/40/973190940.db2.gz	ILEVPZZDBZSPOO-HZPDHXFCSA-N	1	0	354.834	1.083	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)NCc1ccccc1CN1CC[NH+](CC)CC1	ZINC000645161341	1014089582	/nfs/dbraw/zinc/08/95/82/1014089582.db2.gz	ONGSAMCQBPEKST-FQEVSTJZSA-N	1	0	372.513	1.398	20	30		FDEDRO
C=CCOCC[NH2+][C@@H](CNC(=O)[C@]12C[C@H]1COC2)c1ccccc1OC	ZINC001198733106	973435023	/nfs/dbraw/zinc/43/50/23/973435023.db2.gz	YCFYJIVOPXDHAB-KNBMTAEXSA-N	1	0	360.454	1.681	20	30		FDEDRO
Cn1c(CC#N)nn(CN2CCO[C@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1=S	ZINC000794632641	973493853	/nfs/dbraw/zinc/49/38/53/973493853.db2.gz	JDISRNWSHHIZCP-RDBSUJKOSA-N	1	0	350.492	1.158	20	30		FDEDRO
C#CCC[NH2+][C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1ccccc1OC	ZINC001198805806	973548964	/nfs/dbraw/zinc/54/89/64/973548964.db2.gz	JXGGVLBQQVNBFJ-SCNSOLTMSA-N	1	0	354.450	1.889	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)N2CCOCC2)C1	ZINC001198862365	973598829	/nfs/dbraw/zinc/59/88/29/973598829.db2.gz	FHMOGUKDFPRMFY-QRVBRYPASA-N	1	0	365.518	1.005	20	30		FDEDRO
N#C[C@@]1(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCCOC1	ZINC000864614042	973684015	/nfs/dbraw/zinc/68/40/15/973684015.db2.gz	OGVIUXCLRKCMGB-FQEVSTJZSA-N	1	0	356.470	1.241	20	30		FDEDRO
CCO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC#Cc2ccccc2)C1)C1CC1	ZINC001198933705	973705216	/nfs/dbraw/zinc/70/52/16/973705216.db2.gz	GCAARGFXRDZJSV-VAMGGRTRSA-N	1	0	356.466	1.405	20	30		FDEDRO
CCO[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@H]1CCOC1	ZINC000864910133	973940487	/nfs/dbraw/zinc/94/04/87/973940487.db2.gz	GRNKHNPLEULUCD-RBUKOAKNSA-N	1	0	359.470	1.890	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@](C)(NC(C)=O)C(C)C)C1	ZINC001199261986	974096242	/nfs/dbraw/zinc/09/62/42/974096242.db2.gz	VUXHYRBSPLBLHK-LMMKCTJWSA-N	1	0	355.523	1.669	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(NC(C)=O)ccc2F)C1	ZINC001199270023	974104533	/nfs/dbraw/zinc/10/45/33/974104533.db2.gz	BXCINSAKKMXQQY-NXOUGTEYSA-N	1	0	363.433	1.914	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@H]1O	ZINC001199284854	974120823	/nfs/dbraw/zinc/12/08/23/974120823.db2.gz	YESSCDFSAOSNSM-QZTJIDSGSA-N	1	0	355.438	1.489	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCc2ccc(Cl)cc2)C[C@H]1O	ZINC001199317705	974184496	/nfs/dbraw/zinc/18/44/96/974184496.db2.gz	AGSGLMRWMVLYHK-IAOVAPTHSA-N	1	0	352.862	1.635	20	30		FDEDRO
CC(C)CCO[C@@H](C)C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O	ZINC001199330288	974195274	/nfs/dbraw/zinc/19/52/74/974195274.db2.gz	AEBKQGRIPOCEAK-DFQSSKMNSA-N	1	0	358.482	1.651	20	30		FDEDRO
CC(C)(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCc1ccco1	ZINC001110531589	974210059	/nfs/dbraw/zinc/21/00/59/974210059.db2.gz	GCOADXNMNKGBCL-JFRXWTBNSA-N	1	0	374.481	1.928	20	30		FDEDRO
C=C(Cl)C[C@H]1NC(=O)N(C2CC[NH+](C3CCN(C)CC3)CC2)C1=O	ZINC000865301428	974220132	/nfs/dbraw/zinc/22/01/32/974220132.db2.gz	LVYDICIRIZXSCV-OAHLLOKOSA-N	1	0	354.882	1.608	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)CC[N@@H+]1C	ZINC000967566809	1014176807	/nfs/dbraw/zinc/17/68/07/1014176807.db2.gz	OMBRAUUMLUCLRL-FHLIZLRMSA-N	1	0	371.485	1.680	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)N2CCCC2=O)C1	ZINC001199422453	974240181	/nfs/dbraw/zinc/24/01/81/974240181.db2.gz	NXWBXEGPMVDXKP-LMMKCTJWSA-N	1	0	365.518	1.541	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]Cc1cc(C#N)ccc1N(C)C	ZINC000865442506	974298154	/nfs/dbraw/zinc/29/81/54/974298154.db2.gz	NIUQERUVHGJKMH-IBGZPJMESA-N	1	0	357.502	1.657	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNC(=O)C(F)(F)F	ZINC001110534256	974314682	/nfs/dbraw/zinc/31/46/82/974314682.db2.gz	VFOHNZBMQRVNCI-MCIONIFRSA-N	1	0	359.392	1.436	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1	ZINC001199550639	974390715	/nfs/dbraw/zinc/39/07/15/974390715.db2.gz	AVTSNWLJKXYMDR-SRCQZFHVSA-N	1	0	358.442	1.409	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)CC1	ZINC000776017039	974473089	/nfs/dbraw/zinc/47/30/89/974473089.db2.gz	YOAYLQVULUSFAU-NRFANRHFSA-N	1	0	369.465	1.276	20	30		FDEDRO
CNS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(C#N)c(OC)c2)cc1	ZINC000865817748	974517178	/nfs/dbraw/zinc/51/71/78/974517178.db2.gz	GSHDLNBTIFDIBC-UHFFFAOYSA-N	1	0	359.451	1.807	20	30		FDEDRO
Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@H]1Cc2ccc(C#N)cc2C1	ZINC000865848490	974530923	/nfs/dbraw/zinc/53/09/23/974530923.db2.gz	ODXQFABRKJSJSM-SFHVURJKSA-N	1	0	351.454	1.694	20	30		FDEDRO
C=CCNC(=S)NC[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C1	ZINC001200297163	974745808	/nfs/dbraw/zinc/74/58/08/974745808.db2.gz	MXBVDUWKTXKTNS-KGLIPLIRSA-N	1	0	354.520	1.578	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(OC)c(C#N)c1	ZINC001110553290	974767527	/nfs/dbraw/zinc/76/75/27/974767527.db2.gz	HTHCVKQJFAXBMA-QRVBRYPASA-N	1	0	367.449	1.828	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)CCCO1	ZINC001200528761	974807583	/nfs/dbraw/zinc/80/75/83/974807583.db2.gz	OBHPSXKPFPHSJI-GUDVDZBRSA-N	1	0	370.497	1.384	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)CCCO1	ZINC001200529709	974809926	/nfs/dbraw/zinc/80/99/26/974809926.db2.gz	XPOGZXFOTSDXKR-KZNAEPCWSA-N	1	0	358.486	1.547	20	30		FDEDRO
C=CCOCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCO[C@H]2C(C)C)CCCO1	ZINC001200537614	974812679	/nfs/dbraw/zinc/81/26/79/974812679.db2.gz	ROXMQRCACJUKEH-FHWLQOOXSA-N	1	0	368.518	1.847	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)NC(CC)CC)CC1	ZINC001200637107	974853202	/nfs/dbraw/zinc/85/32/02/974853202.db2.gz	RIIKTRYQODPXLD-MSOLQXFVSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CCCO1	ZINC001200804263	974910407	/nfs/dbraw/zinc/91/04/07/974910407.db2.gz	DDXOJHDRSRMCEY-MJBXVCDLSA-N	1	0	366.380	1.116	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(S(=O)(=O)c3ccc(C)c(C#N)c3)CC2)c1	ZINC001201312093	975004236	/nfs/dbraw/zinc/00/42/36/975004236.db2.gz	QIBFFNBNHTZHPC-UHFFFAOYSA-N	1	0	372.450	1.781	20	30		FDEDRO
C#C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CCCO1	ZINC000776155928	975007053	/nfs/dbraw/zinc/00/70/53/975007053.db2.gz	DIJZHGBKBIAPSE-VQTJNVASSA-N	1	0	371.481	1.623	20	30		FDEDRO
COc1ccc([C@@]2(C)NC(=O)N(N=Cc3c[nH+]ccc3N(C)C)C2=O)cc1	ZINC000776179008	975037813	/nfs/dbraw/zinc/03/78/13/975037813.db2.gz	JSGLECGVOVIRBI-LJQANCHMSA-N	1	0	367.409	1.957	20	30		FDEDRO
CN(C)c1cc[nH+]cc1C=[NH+][N-]c1ccc(S(=O)(=O)N2CCCC2)cn1	ZINC000776184888	975039888	/nfs/dbraw/zinc/03/98/88/975039888.db2.gz	AQNXOVPKVUYAHY-UHFFFAOYSA-N	1	0	374.470	1.773	20	30		FDEDRO
C[N@@H+]1C[C@H](C(=O)N2CCCO[C@@H](CNCC#N)C2)[C@@H](c2ccccc2)C1	ZINC001201454772	975054479	/nfs/dbraw/zinc/05/44/79/975054479.db2.gz	RWRRRTURILGURQ-OTWHNJEPSA-N	1	0	356.470	1.062	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCOCC2CC2)C1	ZINC001201621353	975100879	/nfs/dbraw/zinc/10/08/79/975100879.db2.gz	KCEVATWQVNXBCS-FHWLQOOXSA-N	1	0	366.502	1.601	20	30		FDEDRO
C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(O)CC[N@@H+](C)C1	ZINC000867418167	975208521	/nfs/dbraw/zinc/20/85/21/975208521.db2.gz	SQQDRFGZSQAHRS-BLLLJJGKSA-N	1	0	361.870	1.205	20	30		FDEDRO
Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H]1CCCN(O)C1=O	ZINC000866108399	975409177	/nfs/dbraw/zinc/40/91/77/975409177.db2.gz	SCLKKLBDTDOMRW-INIZCTEOSA-N	1	0	361.446	1.249	20	30		FDEDRO
C#CCCN1CCN(C(=O)C2CC[NH+](C3CCN(CC)CC3)CC2)CC1	ZINC000847416654	975596749	/nfs/dbraw/zinc/59/67/49/975596749.db2.gz	PSOCJWUMQADTCQ-UHFFFAOYSA-N	1	0	360.546	1.350	20	30		FDEDRO
C=CCCC[N@@H+](C)CC(=O)NN1C(=O)N[C@](CC)(c2ccccc2)C1=O	ZINC000121128159	975819770	/nfs/dbraw/zinc/81/97/70/975819770.db2.gz	QLJXIBKVSAMNTK-LJQANCHMSA-N	1	0	358.442	1.773	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)NC(=O)c1ccoc1)C2	ZINC001110590822	975875872	/nfs/dbraw/zinc/87/58/72/975875872.db2.gz	GUDAQAQAHVECKI-DZUCGIPZSA-N	1	0	361.442	1.322	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1	ZINC000847606692	975901729	/nfs/dbraw/zinc/90/17/29/975901729.db2.gz	UKWGHMVXOVJGNG-MSOLQXFVSA-N	1	0	355.438	1.770	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12	ZINC000847607402	975903414	/nfs/dbraw/zinc/90/34/14/975903414.db2.gz	KCIGXAMLCWDFGM-WBVHZDCISA-N	1	0	355.438	1.770	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000967663452	1014300017	/nfs/dbraw/zinc/30/00/17/1014300017.db2.gz	KALQRWKGMJUEIB-KURKYZTESA-N	1	0	363.502	1.513	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@@H](C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O	ZINC000121650628	976289058	/nfs/dbraw/zinc/28/90/58/976289058.db2.gz	RLSSJCWHZIDDKH-VVLHAWIVSA-N	1	0	362.470	1.827	20	30		FDEDRO
NS(=O)(=O)c1ccc(N=NC2CCC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1	ZINC000848399318	976717964	/nfs/dbraw/zinc/71/79/64/976717964.db2.gz	NNDZLOCGHYLYFJ-AWEZNQCLSA-N	1	0	367.431	1.658	20	30		FDEDRO
CCn1ncnc1C=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000848400339	976719683	/nfs/dbraw/zinc/71/96/83/976719683.db2.gz	HUKRYUOYAIHGIN-UHFFFAOYSA-N	1	0	371.514	1.761	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	ZINC000848412233	976722919	/nfs/dbraw/zinc/72/29/19/976722919.db2.gz	ZRXQFMVFDBZRCX-FUHWJXTLSA-N	1	0	371.485	1.416	20	30		FDEDRO
COC(=O)c1ccc2c(c1)[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)CCC2	ZINC000848534184	976894195	/nfs/dbraw/zinc/89/41/95/976894195.db2.gz	NRZXXJYGGFWFRI-RUNIHZNKSA-N	1	0	369.421	1.967	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000848774205	977083623	/nfs/dbraw/zinc/08/36/23/977083623.db2.gz	KMJXWOIZJZKKOQ-GOEBONIOSA-N	1	0	359.426	1.452	20	30		FDEDRO
COc1cccc2c1OC[C@H](NC(=O)[C@@H]1[NH2+]CCc3cc(C#N)ccc31)C2	ZINC000867943872	977122048	/nfs/dbraw/zinc/12/20/48/977122048.db2.gz	IUXHBIYQJMOBFL-VQIMIIECSA-N	1	0	363.417	1.874	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000867947033	977127151	/nfs/dbraw/zinc/12/71/51/977127151.db2.gz	XVEKDSXFBLZJKG-QGZVFWFLSA-N	1	0	356.426	1.482	20	30		FDEDRO
C[C@@H]1CN(C(C)(C)CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C[C@H](C)O1	ZINC000867962226	977146401	/nfs/dbraw/zinc/14/64/01/977146401.db2.gz	MTRQACHEWDGRON-KHYOSLBOSA-N	1	0	370.497	1.749	20	30		FDEDRO
COC(=O)CCN(C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)C1CCOCC1	ZINC000867974141	977157934	/nfs/dbraw/zinc/15/79/34/977157934.db2.gz	QBZHVTSFNKQBQK-LJQANCHMSA-N	1	0	371.437	1.316	20	30		FDEDRO
CN(C)C(NCc1ccccc1)=[NH+]C[C@H](N1CCOCC1)C(F)(F)F	ZINC000849051613	977293301	/nfs/dbraw/zinc/29/33/01/977293301.db2.gz	QYWWMQMHKUXYSH-HNNXBMFYSA-N	1	0	358.408	1.957	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCCNc2ccc(C#N)cn2)CC1	ZINC000849071717	977302892	/nfs/dbraw/zinc/30/28/92/977302892.db2.gz	BXTXKAWPUWBHIX-UHFFFAOYSA-N	1	0	373.461	1.442	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)N[C@H]1C[C@@H](Oc2ccccc2)C1(C)C	ZINC000849078119	977305318	/nfs/dbraw/zinc/30/53/18/977305318.db2.gz	VCMWPGUOCNILGV-ZWKOTPCHSA-N	1	0	360.502	1.730	20	30		FDEDRO
CCCC[NH+]=C(NCCS(=O)(=O)N(C)C)NCc1ccc(C)cc1	ZINC000849084992	977307153	/nfs/dbraw/zinc/30/71/53/977307153.db2.gz	SIQKGBZMYOGEEV-UHFFFAOYSA-N	1	0	354.520	1.722	20	30		FDEDRO
Cc1noc(CCCNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)n1	ZINC000849087184	977307928	/nfs/dbraw/zinc/30/79/28/977307928.db2.gz	FXBAVKJOHHBUOH-CYBMUJFWSA-N	1	0	364.450	1.191	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)c1	ZINC000849111658	977322752	/nfs/dbraw/zinc/32/27/52/977322752.db2.gz	YZFAZQSEJAYBNV-UHFFFAOYSA-N	1	0	359.430	1.245	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1C#N	ZINC000868247611	977387788	/nfs/dbraw/zinc/38/77/88/977387788.db2.gz	GDCPXIHIADUTGF-INIZCTEOSA-N	1	0	356.426	1.496	20	30		FDEDRO
[NH3+]CC12CCC(CC1)N2C(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000868289064	977453601	/nfs/dbraw/zinc/45/36/01/977453601.db2.gz	JADQJGACIXLZBC-UHFFFAOYSA-N	1	0	374.444	1.902	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C	ZINC000645465736	1014396927	/nfs/dbraw/zinc/39/69/27/1014396927.db2.gz	YBHJFVVPQLSJSH-FUHWJXTLSA-N	1	0	358.486	1.935	20	30		FDEDRO
COc1cc(C#N)ccc1OC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1	ZINC000849490640	977682698	/nfs/dbraw/zinc/68/26/98/977682698.db2.gz	VOJOKBKNNSCCFI-JKSUJKDBSA-N	1	0	354.410	1.941	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cnn(CC#N)c2)[C@@H](c2cnn(C)c2)C1	ZINC000849514162	977707613	/nfs/dbraw/zinc/70/76/13/977707613.db2.gz	ZSSQLGHUYZOLSJ-IAGOWNOFSA-N	1	0	355.446	1.593	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1	ZINC000849547534	977730091	/nfs/dbraw/zinc/73/00/91/977730091.db2.gz	IJRLALQTMPKAKK-RBUKOAKNSA-N	1	0	366.465	1.784	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000868571463	977782199	/nfs/dbraw/zinc/78/21/99/977782199.db2.gz	BIMSJDRHRZERLJ-WMZOPIPTSA-N	1	0	350.507	1.389	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000868571459	977782234	/nfs/dbraw/zinc/78/22/34/977782234.db2.gz	BIMSJDRHRZERLJ-AEFFLSMTSA-N	1	0	350.507	1.389	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)n1	ZINC000849587370	977792465	/nfs/dbraw/zinc/79/24/65/977792465.db2.gz	IAGRUJGWORDOFQ-RTBURBONSA-N	1	0	368.485	1.334	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)NCCn2cnc(C#N)n2)(c2ccccc2)CC1	ZINC000868605392	977813138	/nfs/dbraw/zinc/81/31/38/977813138.db2.gz	WNCXYEDJZBPTDT-UHFFFAOYSA-N	1	0	367.457	1.113	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000645497670	1014449122	/nfs/dbraw/zinc/44/91/22/1014449122.db2.gz	HUFYWHOWXVTQIS-KRWDZBQOSA-N	1	0	359.470	1.733	20	30		FDEDRO
C=CCOCCC[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl	ZINC000850377893	978347677	/nfs/dbraw/zinc/34/76/77/978347677.db2.gz	MYKPYEHATXRDBS-CYBMUJFWSA-N	1	0	361.895	1.887	20	30		FDEDRO
CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2ccc(C#N)s2)cc1	ZINC000850586137	978448036	/nfs/dbraw/zinc/44/80/36/978448036.db2.gz	LXCHALRDDRHQDT-AWEZNQCLSA-N	1	0	350.469	1.664	20	30		FDEDRO
N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(I)cc1F	ZINC000850755779	978662174	/nfs/dbraw/zinc/66/21/74/978662174.db2.gz	IIHAKIJLVHDQMZ-WRWORJQWSA-N	1	0	374.157	1.663	20	30		FDEDRO
C#C[C@H](NC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1)[C@H]1CCCO1	ZINC000851659007	978987305	/nfs/dbraw/zinc/98/73/05/978987305.db2.gz	KSFCGKARCSJQBZ-CADBVGFASA-N	1	0	357.454	1.621	20	30		FDEDRO
COC(=O)C1(C#N)CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1	ZINC000851671030	978991725	/nfs/dbraw/zinc/99/17/25/978991725.db2.gz	DRHHSYIUPGJXNY-IAGOWNOFSA-N	1	0	370.453	1.620	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)c1	ZINC000851686336	978997937	/nfs/dbraw/zinc/99/79/37/978997937.db2.gz	ZPEABROUFHQGLE-IBGZPJMESA-N	1	0	353.466	1.522	20	30		FDEDRO
C#CCC1(O)CC[NH+](C[C@@H](O)COc2ccc(C(C)=O)cc2OC)CC1	ZINC000880477738	979218157	/nfs/dbraw/zinc/21/81/57/979218157.db2.gz	UKTJSDAXDUZRFI-QGZVFWFLSA-N	1	0	361.438	1.488	20	30		FDEDRO
C#CCOCC[N@H+]1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1	ZINC000851954328	979219122	/nfs/dbraw/zinc/21/91/22/979219122.db2.gz	SAHBUIFSVJPXCC-MRXNPFEDSA-N	1	0	365.474	1.180	20	30		FDEDRO
C#CCC1(O)CC[NH+](CCC(=O)NCc2ccc(OC)cc2OC)CC1	ZINC000880483404	979223885	/nfs/dbraw/zinc/22/38/85/979223885.db2.gz	BMMZEJZKLBNPIG-UHFFFAOYSA-N	1	0	360.454	1.560	20	30		FDEDRO
C#C[C@@H](NC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)C1CCOCC1	ZINC000851962657	979225895	/nfs/dbraw/zinc/22/58/95/979225895.db2.gz	ZHGQSWBJPAUUOU-GOSISDBHSA-N	1	0	371.485	1.061	20	30		FDEDRO
N#CC1(c2ccccn2)CC[NH+](C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852016027	979275449	/nfs/dbraw/zinc/27/54/49/979275449.db2.gz	SNEPDLFHTGPQGL-HXUWFJFHSA-N	1	0	350.422	1.312	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1C[C@@H](O)CC2(CCOCC2)C1	ZINC000880580061	979323851	/nfs/dbraw/zinc/32/38/51/979323851.db2.gz	CAZXUNOCMLKRNV-INIZCTEOSA-N	1	0	368.433	1.149	20	30		FDEDRO
C#C[C@](C)(CC)[NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852102542	979351344	/nfs/dbraw/zinc/35/13/44/979351344.db2.gz	YYFZVNOKTFDACQ-GDZNZVCISA-N	1	0	351.472	1.291	20	30		FDEDRO
N#Cc1cc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(F)cc1F	ZINC000880715145	979405177	/nfs/dbraw/zinc/40/51/77/979405177.db2.gz	LDQAJHUBRSMOFV-HZPDHXFCSA-N	1	0	350.369	1.899	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@H]2CCC[N@H+]2CCC)C1	ZINC000968040888	1014601609	/nfs/dbraw/zinc/60/16/09/1014601609.db2.gz	ALNBFARSIIHEER-SQNIBIBYSA-N	1	0	363.502	1.511	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1	ZINC001114828756	1014614416	/nfs/dbraw/zinc/61/44/16/1014614416.db2.gz	JWZMWLMRUCVNSZ-WKULXVSPSA-N	1	0	365.518	1.639	20	30		FDEDRO
CC[N@@H+]1CC[C@@H]1CNC(=O)COc1ccc(C#N)c(Br)c1	ZINC000882493950	980677231	/nfs/dbraw/zinc/67/72/31/980677231.db2.gz	LULFSKCPNHWVQQ-GFCCVEGCSA-N	1	0	352.232	1.910	20	30		FDEDRO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@H]1CCc2cc(C#N)ccc21	ZINC000888912734	980689835	/nfs/dbraw/zinc/68/98/35/980689835.db2.gz	KKEVNMVJSKEEQY-GUYCJALGSA-N	1	0	355.442	1.307	20	30		FDEDRO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1nccc(Oc2cccc(C#N)c2)n1	ZINC000882516989	980694515	/nfs/dbraw/zinc/69/45/15/980694515.db2.gz	KJOYCKLACQXFNI-AWEZNQCLSA-N	1	0	366.425	1.697	20	30		FDEDRO
C[N@H+](CCNc1c(C#N)cnc2c(F)ccc(Cl)c21)CCOCCO	ZINC000882952126	981821620	/nfs/dbraw/zinc/82/16/20/981821620.db2.gz	JYALBLDGODQJTO-UHFFFAOYSA-N	1	0	366.824	1.673	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC(c2ccnn2C)c2ccnn2C)CC1	ZINC000858236616	981934050	/nfs/dbraw/zinc/93/40/50/981934050.db2.gz	UZMQPFHDVLLXRV-UHFFFAOYSA-N	1	0	357.462	1.193	20	30		FDEDRO
C[NH+](C)CCOCCNC(=O)Nc1ccc(Br)c(C#N)n1	ZINC000883100848	981945770	/nfs/dbraw/zinc/94/57/70/981945770.db2.gz	MTXFCJXGVKKBBH-UHFFFAOYSA-N	1	0	356.224	1.415	20	30		FDEDRO
C=CCC[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)[C@H]1CCCO1	ZINC000883207108	982014670	/nfs/dbraw/zinc/01/46/70/982014670.db2.gz	GSGDOGZYOUUCNL-QLFBSQMISA-N	1	0	359.513	1.986	20	30		FDEDRO
C=C(C)C[C@H](CO)NC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000883313485	982067239	/nfs/dbraw/zinc/06/72/39/982067239.db2.gz	FKAAFWIOGVANCX-RTBURBONSA-N	1	0	360.502	1.601	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccncc1CC)C2	ZINC001110746715	982073263	/nfs/dbraw/zinc/07/32/63/982073263.db2.gz	AYUJHVCZQWOQMK-NZPGVSJUSA-N	1	0	354.454	1.117	20	30		FDEDRO
C=C(C)C[C@@H](CO)NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1	ZINC000883332663	982077127	/nfs/dbraw/zinc/07/71/27/982077127.db2.gz	AAGKAMLZWZSENZ-SFHVURJKSA-N	1	0	361.486	1.770	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)cc1	ZINC000883372130	982101165	/nfs/dbraw/zinc/10/11/65/982101165.db2.gz	NGELZVCAMHWOTE-UYAOXDASSA-N	1	0	372.513	1.864	20	30		FDEDRO
C=C(C)C[C@@H](CO)NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1	ZINC000883496034	982217689	/nfs/dbraw/zinc/21/76/89/982217689.db2.gz	MPIKMKOBXBVPLZ-SFHVURJKSA-N	1	0	361.486	1.770	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1cnc(C2(C)OCCO2)s1	ZINC000858775798	982284887	/nfs/dbraw/zinc/28/48/87/982284887.db2.gz	JXTODXBQESEQBV-UHFFFAOYSA-N	1	0	352.460	1.670	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1	ZINC000883609054	982306240	/nfs/dbraw/zinc/30/62/40/982306240.db2.gz	NBFZLHDLMQLPGN-CABCVRRESA-N	1	0	355.442	1.324	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1	ZINC000859021284	982461963	/nfs/dbraw/zinc/46/19/63/982461963.db2.gz	CESZVSMIKGOXGL-KRWDZBQOSA-N	1	0	351.491	1.701	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000859028341	982467222	/nfs/dbraw/zinc/46/72/22/982467222.db2.gz	OFPHRLITPUDCFI-IBGZPJMESA-N	1	0	354.454	1.814	20	30		FDEDRO
C=C(C)C[C@H](CO)NC(=O)NC[C@H]1CN(Cc2cccc(C)c2)CCO1	ZINC000883804188	982482306	/nfs/dbraw/zinc/48/23/06/982482306.db2.gz	YHVNGHRNUXGABF-MOPGFXCFSA-N	1	0	361.486	1.822	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(S(N)(=O)=O)o1)C2	ZINC001110765820	982554207	/nfs/dbraw/zinc/55/42/07/982554207.db2.gz	SBBBKJATJINHIO-DGAVXFQQSA-N	1	0	367.471	1.617	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)Nc2cc(C)no2)CC1	ZINC001202559884	982560288	/nfs/dbraw/zinc/56/02/88/982560288.db2.gz	SAGSJUPPCJCUQN-CABCVRRESA-N	1	0	362.430	1.093	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@H]1CN1CCCC1=O	ZINC000859133980	982564807	/nfs/dbraw/zinc/56/48/07/982564807.db2.gz	ARTPRCUPXPMEDA-ROUUACIJSA-N	1	0	357.454	1.775	20	30		FDEDRO
C[N@H+](C[C@H](O)COc1ccccc1C#N)[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000859137902	982568525	/nfs/dbraw/zinc/56/85/25/982568525.db2.gz	FNOMFOBZMDBNOW-UONOGXRCSA-N	1	0	371.359	1.393	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2OCC[C@@H]2NC(=O)OC(C)(C)C)CC1	ZINC000859250981	982646098	/nfs/dbraw/zinc/64/60/98/982646098.db2.gz	SKIMWRZALOLNDR-JKSUJKDBSA-N	1	0	367.490	1.825	20	30		FDEDRO
C[N@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@H]1CCN(Cc2ccccc2)C1=O	ZINC000859273514	982670266	/nfs/dbraw/zinc/67/02/66/982670266.db2.gz	AIPHWWLPXKQUEP-MOPGFXCFSA-N	1	0	371.481	1.791	20	30		FDEDRO
Cn1ccnc1[C@H]1CCC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000859281870	982677819	/nfs/dbraw/zinc/67/78/19/982677819.db2.gz	YIUNWGFSKQLHNJ-INIZCTEOSA-N	1	0	362.433	1.899	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@@H+]2CCCC[C@@H]2COC(=O)NC2CC2)CCOCC1	ZINC000859307369	982699798	/nfs/dbraw/zinc/69/97/98/982699798.db2.gz	VCQXOYHLUISRAV-IAGOWNOFSA-N	1	0	365.474	1.801	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(CN3CCCC3=O)cc1)C2	ZINC000884076128	982826403	/nfs/dbraw/zinc/82/64/03/982826403.db2.gz	SFKCCMPTYKWSHQ-IDYZSHNDSA-N	1	0	366.465	1.565	20	30		FDEDRO
Cc1ccc(C(=O)N2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CC2)s1	ZINC000884100334	982866472	/nfs/dbraw/zinc/86/64/72/982866472.db2.gz	QWSRADKHNAACMZ-XAUUPUKJSA-N	1	0	372.494	1.480	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@@H](O)c1ccccc1C(F)(F)F)C2	ZINC000884108337	982878030	/nfs/dbraw/zinc/87/80/30/982878030.db2.gz	XZGWWXLBRRLPJN-XLFQCTOWSA-N	1	0	367.371	1.994	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)noc1C1CC1)C2	ZINC001110826271	982919591	/nfs/dbraw/zinc/91/95/91/982919591.db2.gz	CKBBPDOBXOJMJQ-XZDPQHSOSA-N	1	0	370.453	1.333	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1	ZINC000859572751	982924155	/nfs/dbraw/zinc/92/41/55/982924155.db2.gz	UAUSFEUAYUWBQV-MRXNPFEDSA-N	1	0	351.244	1.008	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@@H](c1cccs1)N1CCOCC1)C2	ZINC000884177030	982949528	/nfs/dbraw/zinc/94/95/28/982949528.db2.gz	YKWFBPBWHPDDLU-IOSXPMGOSA-N	1	0	374.510	1.377	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCCN(Cc3ccc(F)cc3)CC1)C2	ZINC000884182894	982958843	/nfs/dbraw/zinc/95/88/43/982958843.db2.gz	XERPLIRGHRKNPB-IDYZSHNDSA-N	1	0	370.472	1.999	20	30		FDEDRO
CCn1cc(CC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(C#N)[nH]2)C3)cn1	ZINC001095327758	982963326	/nfs/dbraw/zinc/96/33/26/982963326.db2.gz	FCVSLEDXSRDLBM-NJAFHUGGSA-N	1	0	352.442	1.681	20	30		FDEDRO
COc1nccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(C#N)[nH]2)C3)n1	ZINC001095327826	982966379	/nfs/dbraw/zinc/96/63/79/982966379.db2.gz	IJJADJRJSCZORD-KBMXLJTQSA-N	1	0	352.398	1.220	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1	ZINC000884226110	982999335	/nfs/dbraw/zinc/99/93/35/982999335.db2.gz	KZOGXWOXBIRPDG-GRDNDAEWSA-N	1	0	365.499	1.694	20	30		FDEDRO
CCOC(=O)CN(CCc1ccccc1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884312034	983075736	/nfs/dbraw/zinc/07/57/36/983075736.db2.gz	USFOLSZYOXIJTQ-IDYZSHNDSA-N	1	0	369.465	1.760	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCCN(C3CCCCC3)C1=O)C2	ZINC000884321213	983083167	/nfs/dbraw/zinc/08/31/67/983083167.db2.gz	IXULERJUXSYBKC-KLRDNXEFSA-N	1	0	358.486	1.566	20	30		FDEDRO
CS(=O)(=O)C[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccccc1	ZINC000884326744	983088137	/nfs/dbraw/zinc/08/81/37/983088137.db2.gz	AFEUWFLMCWBXLJ-LPMVOBIJSA-N	1	0	361.467	1.028	20	30		FDEDRO
CN(Cc1cn(C)nc1C(F)(F)F)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884329873	983089913	/nfs/dbraw/zinc/08/99/13/983089913.db2.gz	XOUIASSQEQGCKC-JYHUIVOISA-N	1	0	355.364	1.537	20	30		FDEDRO
CC(=O)c1ccc2c(c1)CCN(C(=O)C1CC3(C1)C[NH2+]C[C@@H]3C#N)CC2	ZINC000884330856	983090533	/nfs/dbraw/zinc/09/05/33/983090533.db2.gz	ZHFUURCDPLBWAC-SCCNAQOGSA-N	1	0	351.450	1.956	20	30		FDEDRO
COC(=O)[C@@](C)(CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccccc1	ZINC000884333994	983093386	/nfs/dbraw/zinc/09/33/86/983093386.db2.gz	DIYUQVLVMABWGZ-DCPFEPKSSA-N	1	0	355.438	1.373	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCNC(=O)[C@@H]1CC1CCCCC1)C2	ZINC000884348381	983106421	/nfs/dbraw/zinc/10/64/21/983106421.db2.gz	XPONEALSQZWTHG-RXCRORICSA-N	1	0	358.486	1.423	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)OC(C)(C)C	ZINC000860037180	983185026	/nfs/dbraw/zinc/18/50/26/983185026.db2.gz	QKMMZEDBPIKQDS-KSWRQPAISA-N	1	0	361.486	1.702	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(=O)n(CCOC)n1)C2	ZINC001110785306	983440251	/nfs/dbraw/zinc/44/02/51/983440251.db2.gz	OSBIFPKAFJQOON-IDCNUPLLSA-N	1	0	374.485	1.580	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)OC[C@]3(C)C[C@@H](OC)C[N@@H+]3C)cc2C1=O	ZINC000861341055	983692483	/nfs/dbraw/zinc/69/24/83/983692483.db2.gz	MTJFBCWJSDISGR-VLIAUNLRSA-N	1	0	372.421	1.735	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)nc1	ZINC000861556189	983777853	/nfs/dbraw/zinc/77/78/53/983777853.db2.gz	FNNHRBVGFMHQFG-STQMWFEESA-N	1	0	370.379	1.534	20	30		FDEDRO
C#C[C@@H](NC(=O)NCCOCC[NH2+]C)c1ccc(Br)cc1	ZINC000861676733	983818479	/nfs/dbraw/zinc/81/84/79/983818479.db2.gz	VWVABPTUOXNBSF-CQSZACIVSA-N	1	0	354.248	1.659	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccc(C(N)=O)cc1)C2	ZINC001110807169	983913985	/nfs/dbraw/zinc/91/39/85/983913985.db2.gz	JZSLIDFAJBXCSF-QRVBRYPASA-N	1	0	371.481	1.642	20	30		FDEDRO
C#CC[C@@H](CO)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1	ZINC000861784051	983919079	/nfs/dbraw/zinc/91/90/79/983919079.db2.gz	QCVRLHAOGZBYAW-PCCBWWKXSA-N	1	0	363.461	1.798	20	30		FDEDRO
C=CCCN(OCc1ccccc1)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2	ZINC000861791529	983923455	/nfs/dbraw/zinc/92/34/55/983923455.db2.gz	GYRQVINUBSSAMV-QGZVFWFLSA-N	1	0	357.454	1.924	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCC[C@H](C[NH+]3CCOCC3)C1)C2	ZINC000869192454	984936065	/nfs/dbraw/zinc/93/60/65/984936065.db2.gz	SZYBWNNRLQQKAP-YLJYHZDGSA-N	1	0	368.481	1.779	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccns1	ZINC000884983055	985035938	/nfs/dbraw/zinc/03/59/38/985035938.db2.gz	DOEFMIHIDMWEJB-UHFFFAOYSA-N	1	0	350.469	1.767	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2	ZINC000885137881	985197868	/nfs/dbraw/zinc/19/78/68/985197868.db2.gz	KOALZIMCFGCGIE-IXDOHACOSA-N	1	0	363.502	1.512	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F	ZINC000885275725	985279986	/nfs/dbraw/zinc/27/99/86/985279986.db2.gz	JNPQKSHIGFCKSK-OAHLLOKOSA-N	1	0	351.397	1.562	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F	ZINC000885285960	985289904	/nfs/dbraw/zinc/28/99/04/985289904.db2.gz	UOEYAVMHLADKJG-GFCCVEGCSA-N	1	0	357.426	1.624	20	30		FDEDRO
C[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)CC(C)(CO)CO	ZINC000135943585	985444796	/nfs/dbraw/zinc/44/47/96/985444796.db2.gz	GTQKUFBCHBZWLR-AWEZNQCLSA-N	1	0	354.410	1.146	20	30		FDEDRO
C[NH+](C)CCn1ccc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)n1	ZINC000870093313	985650855	/nfs/dbraw/zinc/65/08/55/985650855.db2.gz	FJYTWNKUDWYPRF-UHFFFAOYSA-N	1	0	352.442	1.279	20	30		FDEDRO
C[C@@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)c1ccc(F)cc1C#N	ZINC000885848468	985696554	/nfs/dbraw/zinc/69/65/54/985696554.db2.gz	VGYZBNCSTTWBKL-CYBMUJFWSA-N	1	0	360.414	1.992	20	30		FDEDRO
CN1CCOC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1	ZINC001095335995	986010199	/nfs/dbraw/zinc/01/01/99/986010199.db2.gz	JZDKWKSODVSBMY-XWSJACJDSA-N	1	0	354.454	1.110	20	30		FDEDRO
C#CC[C@@H]1CC[N@@H+](CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)C1	ZINC000886356440	986095344	/nfs/dbraw/zinc/09/53/44/986095344.db2.gz	ZXFXAVFHJRLXDE-GOSISDBHSA-N	1	0	359.514	1.973	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC=CC[C@H]1C(F)(F)F	ZINC001114463503	986135442	/nfs/dbraw/zinc/13/54/42/986135442.db2.gz	IMESZDODNFDGOQ-LJIZCISZSA-N	1	0	356.388	1.827	20	30		FDEDRO
C#CC[N@@H+](CCN1CCNC1=O)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886426420	986201839	/nfs/dbraw/zinc/20/18/39/986201839.db2.gz	WKSLRTLLOWFBBO-UHFFFAOYSA-N	1	0	350.463	1.346	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@]2(CO)CCCN(C(=O)OC(C)(C)C)C2)C1=O	ZINC000886429317	986208950	/nfs/dbraw/zinc/20/89/50/986208950.db2.gz	ZMCLUVOBIUJTKV-RDTXWAMCSA-N	1	0	353.463	1.125	20	30		FDEDRO
C#CCN(C(=O)c1cnn(CC)c1Br)C1CC[NH+](C)CC1	ZINC000886572278	986371870	/nfs/dbraw/zinc/37/18/70/986371870.db2.gz	FWYKTDKSTDEYKP-UHFFFAOYSA-N	1	0	353.264	1.835	20	30		FDEDRO
C#CCN(C(=O)c1c(Br)nc2n1CCC2)C1CC[NH+](C)CC1	ZINC000886574884	986374438	/nfs/dbraw/zinc/37/44/38/986374438.db2.gz	XGJLOAQTWIZRJQ-UHFFFAOYSA-N	1	0	365.275	1.761	20	30		FDEDRO
C#CCN(C(=O)c1nnn(Cc2cc(C)no2)c1C)C1CC[NH+](C)CC1	ZINC000886575596	986375245	/nfs/dbraw/zinc/37/52/45/986375245.db2.gz	BDXZAICBJCGEGJ-UHFFFAOYSA-N	1	0	356.430	1.101	20	30		FDEDRO
C#CCN(C(=O)[C@@H](O)[C@H](O)c1nc2ccccc2s1)C1CC[NH+](C)CC1	ZINC000886578811	986379719	/nfs/dbraw/zinc/37/97/19/986379719.db2.gz	MKXRAJHGKOWIDW-IRXDYDNUSA-N	1	0	373.478	1.247	20	30		FDEDRO
C#CCN(C(=O)c1nnn(-c2ccc(OC)cc2)c1C)C1CC[NH+](C)CC1	ZINC000886583292	986387747	/nfs/dbraw/zinc/38/77/47/986387747.db2.gz	KGPNMKMXZHDPJP-UHFFFAOYSA-N	1	0	367.453	1.754	20	30		FDEDRO
C#CCN(C(=O)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)C1CC[NH+](C)CC1	ZINC000886583589	986389689	/nfs/dbraw/zinc/38/96/89/986389689.db2.gz	WNSXEIRDCZPCKQ-CALCHBBNSA-N	1	0	370.497	1.865	20	30		FDEDRO
C#CCN(C(=O)c1ccc(=O)n(Cc2ccccc2)n1)C1CC[NH+](C)CC1	ZINC000886586992	986391338	/nfs/dbraw/zinc/39/13/38/986391338.db2.gz	BMMHOAPGMJAFHP-UHFFFAOYSA-N	1	0	364.449	1.461	20	30		FDEDRO
C#CCN(C(=O)CCc1c(C)nc2ncnn2c1C)C1CC[NH+](C)CC1	ZINC000886587503	986393405	/nfs/dbraw/zinc/39/34/05/986393405.db2.gz	ZIBYRURETGVUKR-UHFFFAOYSA-N	1	0	354.458	1.230	20	30		FDEDRO
CC(C)[NH+]1CCC(CCNC(=O)CCNC(=O)C2N=CC=CC2=O)CC1	ZINC000870958272	986542472	/nfs/dbraw/zinc/54/24/72/986542472.db2.gz	PBFWUEZXZSTIQO-HNENSFHCSA-N	1	0	362.474	1.530	20	30		FDEDRO
C=C[C@@H](CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1	ZINC000870997988	986572064	/nfs/dbraw/zinc/57/20/64/986572064.db2.gz	CDGOYTADASEGEF-HPBDAGMYSA-N	1	0	355.438	1.740	20	30		FDEDRO
N#CCCc1ccc(S(=O)(=O)N2CCNC[C@@H]2c2ccncc2)cc1	ZINC000886886242	986689666	/nfs/dbraw/zinc/68/96/66/986689666.db2.gz	BJSMEZQYBNINIB-GOSISDBHSA-N	1	0	356.451	1.873	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](O)C1	ZINC000968546951	1015267769	/nfs/dbraw/zinc/26/77/69/1015267769.db2.gz	IQFWKYZDRPWGMS-SJORKVTESA-N	1	0	370.453	1.547	20	30		FDEDRO
N#Cc1ccc(Cn2cnc3c(cnn3C3CC[NH2+]CC3)c2=O)c(F)c1	ZINC000871677053	987191616	/nfs/dbraw/zinc/19/16/16/987191616.db2.gz	TUNJKLNAXGUEFL-UHFFFAOYSA-N	1	0	352.373	1.577	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1	ZINC000871806445	987252231	/nfs/dbraw/zinc/25/22/31/987252231.db2.gz	HTXKALQUHOVIDS-QGZVFWFLSA-N	1	0	363.483	1.646	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)c1	ZINC000871808853	987254066	/nfs/dbraw/zinc/25/40/66/987254066.db2.gz	INFBYBWXFKYNFK-AWEZNQCLSA-N	1	0	353.419	1.134	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)cc1Cl	ZINC000871811596	987260075	/nfs/dbraw/zinc/26/00/75/987260075.db2.gz	ZGTQFIVYWIBXMB-CYBMUJFWSA-N	1	0	369.874	1.649	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H]([NH2+]C[C@@H](O)CN1C(=O)c3ccccc3C1=O)C2	ZINC000872237805	987535492	/nfs/dbraw/zinc/53/54/92/987535492.db2.gz	AZANZXFPLKCLES-IAGOWNOFSA-N	1	0	361.401	1.272	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(C#N)c1	ZINC000872449249	987669115	/nfs/dbraw/zinc/66/91/15/987669115.db2.gz	NFPIUHZWKAVQGJ-KRWDZBQOSA-N	1	0	362.499	1.267	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1	ZINC000872455480	987677422	/nfs/dbraw/zinc/67/74/22/987677422.db2.gz	SWBPBHFLHSOZHJ-QGZVFWFLSA-N	1	0	364.515	1.417	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1	ZINC000298902659	987942913	/nfs/dbraw/zinc/94/29/13/987942913.db2.gz	BVFFTXAIBQCTJL-SFHVURJKSA-N	1	0	354.454	1.603	20	30		FDEDRO
N#Cc1ccccc1CN1C(=O)CN(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)C1=O	ZINC000872723092	988008112	/nfs/dbraw/zinc/00/81/12/988008112.db2.gz	XYFFGTPCYAJMLY-IAGOWNOFSA-N	1	0	370.478	1.965	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccccc1C(=O)N(CC)CC	ZINC000293426986	988072442	/nfs/dbraw/zinc/07/24/42/988072442.db2.gz	QLCLVHRRWRRWSA-UHFFFAOYSA-N	1	0	372.469	1.178	20	30		FDEDRO
C#CCN(CC)C(=O)C(=O)Nc1cccc(C(=O)NCC[NH+](CC)CC)c1	ZINC000299193161	988220053	/nfs/dbraw/zinc/22/00/53/988220053.db2.gz	GLZLFIRAKKPRDG-UHFFFAOYSA-N	1	0	372.469	1.178	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC(c3nnc4n3CCC4)CC2)CC1	ZINC000361017950	988249226	/nfs/dbraw/zinc/24/92/26/988249226.db2.gz	JQQARQHFEDAWFX-UHFFFAOYSA-N	1	0	358.490	1.764	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)CC1	ZINC000361144483	988281585	/nfs/dbraw/zinc/28/15/85/988281585.db2.gz	RDZAVEQZEVUNBM-QGZVFWFLSA-N	1	0	371.481	1.744	20	30		FDEDRO
C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1	ZINC000872947483	988323706	/nfs/dbraw/zinc/32/37/06/988323706.db2.gz	NADHRKXCIVXUBY-DOTOQJQBSA-N	1	0	356.474	1.658	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)c1	ZINC000873100864	988541988	/nfs/dbraw/zinc/54/19/88/988541988.db2.gz	HIJQMICEEHRDDZ-KRWDZBQOSA-N	1	0	373.453	1.465	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1	ZINC000873104376	988556714	/nfs/dbraw/zinc/55/67/14/988556714.db2.gz	MLSWPZOLVQXQAJ-FZMZJTMJSA-N	1	0	369.343	1.233	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1	ZINC000873108327	988572946	/nfs/dbraw/zinc/57/29/46/988572946.db2.gz	XCBAAUBRDOYAHV-AAEUAGOBSA-N	1	0	354.332	1.401	20	30		FDEDRO
N#Cc1ncn(CC[NH2+]Cc2cccc(F)c2I)n1	ZINC000873126666	988593155	/nfs/dbraw/zinc/59/31/55/988593155.db2.gz	VNCMWWRIVQQQQE-UHFFFAOYSA-N	1	0	371.157	1.683	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)COc1cccc(N2CCCC2=O)c1	ZINC000299569427	988601140	/nfs/dbraw/zinc/60/11/40/988601140.db2.gz	BJHKFELZUBNADZ-UHFFFAOYSA-N	1	0	372.469	1.886	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC(COC)(C(=O)OCC)CC2)CC1	ZINC000366316253	988616140	/nfs/dbraw/zinc/61/61/40/988616140.db2.gz	SOIVHBUANAKQIY-UHFFFAOYSA-N	1	0	367.490	1.638	20	30		FDEDRO
C#CCC[NH+]1CCN(CCC(=O)Nc2ccccc2C(=O)NC2CC2)CC1	ZINC000299706229	988694528	/nfs/dbraw/zinc/69/45/28/988694528.db2.gz	PQFCPRPOLCUTSZ-UHFFFAOYSA-N	1	0	368.481	1.548	20	30		FDEDRO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)cc1	ZINC000366434622	988696141	/nfs/dbraw/zinc/69/61/41/988696141.db2.gz	LAGCEPTUMABVGM-USXIJHARSA-N	1	0	368.437	1.225	20	30		FDEDRO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCC[C@H]3OCC[C@H]32)CC1	ZINC000366452667	988704320	/nfs/dbraw/zinc/70/43/20/988704320.db2.gz	HXTKWTOCWWOZRD-IXDOHACOSA-N	1	0	374.510	1.710	20	30		FDEDRO
COc1cccc(Cc2cnc(NC(=O)N[C@H]3C[NH2+]C[C@H]3C#N)s2)c1	ZINC000873338961	988722988	/nfs/dbraw/zinc/72/29/88/988722988.db2.gz	STQKHCCMJJHYKS-DOMZBBRYSA-N	1	0	357.439	1.976	20	30		FDEDRO
C=CCN1CC[C@H]([NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)C1=O	ZINC000366835272	988805509	/nfs/dbraw/zinc/80/55/09/988805509.db2.gz	NKGSSODXPQOGDD-INIZCTEOSA-N	1	0	371.437	1.853	20	30		FDEDRO
CN1CC[NH+](C[C@H]2CCCN(C(=O)Cc3cccc(OCC#N)c3)C2)CC1	ZINC000366886810	988835472	/nfs/dbraw/zinc/83/54/72/988835472.db2.gz	PHYFBDKGODIBEN-LJQANCHMSA-N	1	0	370.497	1.617	20	30		FDEDRO
C[C@@H](O)C[N@@H+]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@H](C)C1	ZINC000367050560	988908821	/nfs/dbraw/zinc/90/88/21/988908821.db2.gz	QIVRLVNCGMIKML-HZPDHXFCSA-N	1	0	353.470	1.846	20	30		FDEDRO
COc1ccc(C[N@@H+]2CCCN(C(=O)Cn3ccnc3C#N)CC2)cc1	ZINC000367449125	988951195	/nfs/dbraw/zinc/95/11/95/988951195.db2.gz	RMRQWKTXWUYKBO-UHFFFAOYSA-N	1	0	353.426	1.498	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)c(OC)c1	ZINC000367452017	988952144	/nfs/dbraw/zinc/95/21/44/988952144.db2.gz	SQSIVDRIASFGNU-WWMYMODYSA-N	1	0	374.481	1.810	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1C#N	ZINC000873662970	988953515	/nfs/dbraw/zinc/95/35/15/988953515.db2.gz	AROWMSLYUZFLCR-KGLIPLIRSA-N	1	0	358.442	1.742	20	30		FDEDRO
CC[C@H](CC#N)NC(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C	ZINC000368358326	988990975	/nfs/dbraw/zinc/99/09/75/988990975.db2.gz	SXGLSVVPSKCPFI-OAHLLOKOSA-N	1	0	352.442	1.986	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@]2(C#N)CCc3ccccc3C2)CC1	ZINC000368586951	988999156	/nfs/dbraw/zinc/99/91/56/988999156.db2.gz	AMRGLERTZLGBMZ-UWJYYQICSA-N	1	0	354.498	1.827	20	30		FDEDRO
C[NH+](C)CCN1CCCN(C(=O)/C=C/c2ccc(OCC#N)cc2)CC1	ZINC000369008050	989019895	/nfs/dbraw/zinc/01/98/95/989019895.db2.gz	BTMMOSDIQYJXRS-RMKNXTFCSA-N	1	0	356.470	1.698	20	30		FDEDRO
CN1CC[NH+](C2(CNC(=O)N3CCO[C@@H](C#N)C3)CCCCCC2)CC1	ZINC000369085507	989025205	/nfs/dbraw/zinc/02/52/05/989025205.db2.gz	UFJZEZLVYVCATH-KRWDZBQOSA-N	1	0	363.506	1.261	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CN2c3ccccc3O[C@@H](C)C2=O)CC1	ZINC000369757684	989148544	/nfs/dbraw/zinc/14/85/44/989148544.db2.gz	NYTOARSDDHCNRS-HNNXBMFYSA-N	1	0	355.438	1.404	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000369801706	989190521	/nfs/dbraw/zinc/19/05/21/989190521.db2.gz	KPDOEMYPUBNEMX-VHRNVKJDSA-N	1	0	373.428	1.765	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)N(C)c2ccccc2)CC1	ZINC000363441093	989203005	/nfs/dbraw/zinc/20/30/05/989203005.db2.gz	GMDDSRXSMCNIOR-OAHLLOKOSA-N	1	0	372.469	1.762	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(OC)c(C#N)c2)[C@@H](C)C1	ZINC000873831453	989274558	/nfs/dbraw/zinc/27/45/58/989274558.db2.gz	UVRVYGZGCBUNTF-XJKSGUPXSA-N	1	0	358.442	1.694	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H](C)CN3CCOCC3)C2)n1	ZINC000363588042	989326095	/nfs/dbraw/zinc/32/60/95/989326095.db2.gz	WFAAJCNWWSUCMU-WMZOPIPTSA-N	1	0	371.485	1.315	20	30		FDEDRO
CN1C(=O)CS/C1=C/C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000873876297	989372540	/nfs/dbraw/zinc/37/25/40/989372540.db2.gz	VCKBSMFYZROUTB-YBFXNURJSA-N	1	0	370.478	1.639	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCC(=O)NCc1cccc(C#N)c1	ZINC000363706415	989401175	/nfs/dbraw/zinc/40/11/75/989401175.db2.gz	NEIGDAAHXOYMOY-NSISKUIASA-N	1	0	370.497	1.653	20	30		FDEDRO
Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2	ZINC000873895221	989408267	/nfs/dbraw/zinc/40/82/67/989408267.db2.gz	JSSDMPMIERMTQX-IBGZPJMESA-N	1	0	358.417	1.889	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@@H](c1nccn1C)c1ccc(F)cc1	ZINC000296980523	989456036	/nfs/dbraw/zinc/45/60/36/989456036.db2.gz	SAKAWAAPVZOFNT-QGZVFWFLSA-N	1	0	357.433	1.903	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1	ZINC000297453546	989537863	/nfs/dbraw/zinc/53/78/63/989537863.db2.gz	KCQNGRYAFWSLTQ-UHFFFAOYSA-N	1	0	372.469	1.707	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1	ZINC000364557468	989646536	/nfs/dbraw/zinc/64/65/36/989646536.db2.gz	FJLVIDDNIJCQHX-MRXNPFEDSA-N	1	0	365.474	1.226	20	30		FDEDRO
CCC1([NH+](C)C)CCN(C(=O)C(=O)Nc2ccc(OC)c(C#N)c2)CC1	ZINC000874036949	989665037	/nfs/dbraw/zinc/66/50/37/989665037.db2.gz	ORYYFJZUYZZVJU-UHFFFAOYSA-N	1	0	358.442	1.838	20	30		FDEDRO
CN(CC(=O)N[C@@](C)(C#N)C1CC1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1	ZINC000364702375	989725858	/nfs/dbraw/zinc/72/58/58/989725858.db2.gz	DLTUOWWJSHVELC-VDGAXYAQSA-N	1	0	355.486	1.815	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[N@H+](CC(C)(C)O)CC1	ZINC000370414900	989726403	/nfs/dbraw/zinc/72/64/03/989726403.db2.gz	RQZMCISAJJHVFZ-UHFFFAOYSA-N	1	0	374.485	1.514	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(C(=O)c3cccnc3)C2)CC1	ZINC000370514670	989799848	/nfs/dbraw/zinc/79/98/48/989799848.db2.gz	ZYFRHWMCMUKXHM-QGZVFWFLSA-N	1	0	357.458	1.246	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)CC1	ZINC000370569631	989848179	/nfs/dbraw/zinc/84/81/79/989848179.db2.gz	PHTJSUYHTZLMOQ-RBUKOAKNSA-N	1	0	364.534	1.970	20	30		FDEDRO
Cn1cc(C(=O)NC2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)cn1	ZINC000370569831	989849162	/nfs/dbraw/zinc/84/91/62/989849162.db2.gz	QIKGZQZIOFBFFW-SFHVURJKSA-N	1	0	353.426	1.220	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)CC[C@H]21	ZINC000874173279	989876315	/nfs/dbraw/zinc/87/63/15/989876315.db2.gz	NEZDKQXJXBOKCC-GXTWGEPZSA-N	1	0	358.446	1.001	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1C#N	ZINC000874175326	989885134	/nfs/dbraw/zinc/88/51/34/989885134.db2.gz	WCFFISFQMNEIAC-YOEHRIQHSA-N	1	0	370.453	1.837	20	30		FDEDRO
N#CCn1cc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)cn1	ZINC000874253386	989987981	/nfs/dbraw/zinc/98/79/81/989987981.db2.gz	OCFOKPKESZQMTI-UYAOXDASSA-N	1	0	365.437	1.884	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)cc1	ZINC000370900974	990107008	/nfs/dbraw/zinc/10/70/08/990107008.db2.gz	UWHSNTMVBHFHOM-ZWKOTPCHSA-N	1	0	357.454	1.775	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C	ZINC000874365170	990182060	/nfs/dbraw/zinc/18/20/60/990182060.db2.gz	QGKAEJMPJBIHAF-JKSUJKDBSA-N	1	0	356.426	1.591	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C	ZINC000874369794	990204272	/nfs/dbraw/zinc/20/42/72/990204272.db2.gz	UZEFJMDEYVYHKF-FVQBIDKESA-N	1	0	356.426	1.611	20	30		FDEDRO
CC[C@H](C)[N@H+](C)CCNC(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000371098964	990248257	/nfs/dbraw/zinc/24/82/57/990248257.db2.gz	JEJQJOGNOGYOFG-AVYPCKFXSA-N	1	0	369.469	1.772	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CCC[N@@H+](C3CCOCC3)CC2)c1C#N	ZINC000371103824	990251533	/nfs/dbraw/zinc/25/15/33/990251533.db2.gz	IPINVSMCRJVKCZ-UHFFFAOYSA-N	1	0	370.453	1.519	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN(Cc3cnc4ccc(C#N)cn34)C2)CC1	ZINC000371336624	990366435	/nfs/dbraw/zinc/36/64/35/990366435.db2.gz	PXIKWMUASPCOQA-GOSISDBHSA-N	1	0	352.486	1.806	20	30		FDEDRO
Cn1cc(C(N)=O)cc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000371542284	990512660	/nfs/dbraw/zinc/51/26/60/990512660.db2.gz	JSBDSUMXAUOQQA-UHFFFAOYSA-N	1	0	365.437	1.412	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000371543525	990513209	/nfs/dbraw/zinc/51/32/09/990513209.db2.gz	MVWTVUOIJLUEMO-KSSFIOAISA-N	1	0	369.469	1.299	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)cc1	ZINC000874845405	990571786	/nfs/dbraw/zinc/57/17/86/990571786.db2.gz	GIEZMILSXLIVKC-IRXDYDNUSA-N	1	0	363.483	1.460	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)NC[C@H](CC)[N@@H+]1CCc2ccccc2C1	ZINC000875058327	990802894	/nfs/dbraw/zinc/80/28/94/990802894.db2.gz	LCBUOMMFVMJTJG-MOPGFXCFSA-N	1	0	371.481	1.094	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cn1	ZINC000875093564	990880909	/nfs/dbraw/zinc/88/09/09/990880909.db2.gz	SFSNFTXKUVJLDH-WBVHZDCISA-N	1	0	354.458	1.412	20	30		FDEDRO
Cn1cccc1C(=O)NC1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1	ZINC000372012840	990893172	/nfs/dbraw/zinc/89/31/72/990893172.db2.gz	YVVJUZBMUHVPAH-IBGZPJMESA-N	1	0	352.438	1.825	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000875166901	990992474	/nfs/dbraw/zinc/99/24/74/990992474.db2.gz	OGEFQTQDOLBHNW-RBUKOAKNSA-N	1	0	371.481	1.169	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CSC[C@H]3C2)CC1	ZINC000875182284	991022510	/nfs/dbraw/zinc/02/25/10/991022510.db2.gz	JTQCUVAQIDEEFP-LSDHHAIUSA-N	1	0	351.516	1.355	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1	ZINC000372341522	991026132	/nfs/dbraw/zinc/02/61/32/991026132.db2.gz	DKFFUWMENQHPHK-ROUUACIJSA-N	1	0	358.442	1.362	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000875228432	991140973	/nfs/dbraw/zinc/14/09/73/991140973.db2.gz	DBZWDRPUJBXZEJ-INIZCTEOSA-N	1	0	350.507	1.086	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1	ZINC000875235628	991162433	/nfs/dbraw/zinc/16/24/33/991162433.db2.gz	OCUHAYGKRAPSDZ-SJLPKXTDSA-N	1	0	363.502	1.444	20	30		FDEDRO
N#Cc1cnn(-c2ccc(C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)c1N	ZINC000372560077	991213630	/nfs/dbraw/zinc/21/36/30/991213630.db2.gz	NKLYIUAERASACM-DOTOQJQBSA-N	1	0	350.426	1.683	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1	ZINC000372618486	991272723	/nfs/dbraw/zinc/27/27/23/991272723.db2.gz	AMRDTLSKMRGNPL-CABCVRRESA-N	1	0	359.401	1.519	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1	ZINC000875306374	991290138	/nfs/dbraw/zinc/29/01/38/991290138.db2.gz	BHINWQSYIAFBTF-SQNIBIBYSA-N	1	0	357.454	1.093	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)c1	ZINC000372652333	991300659	/nfs/dbraw/zinc/30/06/59/991300659.db2.gz	IRBLGSHGJFELKX-ZWKOTPCHSA-N	1	0	355.438	1.054	20	30		FDEDRO
N#CCc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)cc1	ZINC000372654687	991306498	/nfs/dbraw/zinc/30/64/98/991306498.db2.gz	NAATXTSUEBPUCK-QZTJIDSGSA-N	1	0	370.453	1.139	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N1CCC(C)([NH+]2CCCCC2)CC1)[C@@H]1CCCO1	ZINC000875325051	991321701	/nfs/dbraw/zinc/32/17/01/991321701.db2.gz	OLFJBUXGYJNDHA-IRXDYDNUSA-N	1	0	361.486	1.150	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CCCO1	ZINC000875533736	991708397	/nfs/dbraw/zinc/70/83/97/991708397.db2.gz	DEFYRHUSCGKHPY-HNAYVOBHSA-N	1	0	356.470	1.826	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2	ZINC000875555195	991729613	/nfs/dbraw/zinc/72/96/13/991729613.db2.gz	LOVHFKAKTNBYEI-IRXDYDNUSA-N	1	0	351.491	1.721	20	30		FDEDRO
CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NCc1ccc(C#N)c(F)c1	ZINC000875652387	991865827	/nfs/dbraw/zinc/86/58/27/991865827.db2.gz	CDLPECCAHWOKES-UHFFFAOYSA-N	1	0	360.433	1.951	20	30		FDEDRO
CSC[C@](C)(C#N)NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1	ZINC000875714971	991933756	/nfs/dbraw/zinc/93/37/56/991933756.db2.gz	YVSNHPUKGZCLGY-BQFCYCMXSA-N	1	0	363.531	1.995	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(OC)cc1	ZINC000373178407	991981040	/nfs/dbraw/zinc/98/10/40/991981040.db2.gz	LNSWLSZNUXTUCB-QFBILLFUSA-N	1	0	374.485	1.680	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000875831546	992053998	/nfs/dbraw/zinc/05/39/98/992053998.db2.gz	HPMGDKQYPPVSTD-IYBDPMFKSA-N	1	0	353.507	1.711	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1	ZINC000875916133	992187419	/nfs/dbraw/zinc/18/74/19/992187419.db2.gz	BUFHMASXYAAYNJ-SFHVURJKSA-N	1	0	350.507	1.084	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1	ZINC000875926633	992199261	/nfs/dbraw/zinc/19/92/61/992199261.db2.gz	HVBOMDZZTYYOMX-KRWDZBQOSA-N	1	0	350.507	1.226	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1	ZINC000876079749	992283485	/nfs/dbraw/zinc/28/34/85/992283485.db2.gz	LJUGYEQRSHPQAF-KRWDZBQOSA-N	1	0	354.454	1.880	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1nccn1-c1ccccc1	ZINC000411402871	992385859	/nfs/dbraw/zinc/38/58/59/992385859.db2.gz	VDWRMXYMXSDYAT-UHFFFAOYSA-N	1	0	368.441	1.505	20	30		FDEDRO
N#CCC1(O)CN(C(=O)[C@H]2CC[N@H+](C[C@H]3CCCc4ccccc43)C2)C1	ZINC000373836479	992475950	/nfs/dbraw/zinc/47/59/50/992475950.db2.gz	LWDKOUAXFSCMPC-MSOLQXFVSA-N	1	0	353.466	1.915	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1	ZINC000373837853	992476843	/nfs/dbraw/zinc/47/68/43/992476843.db2.gz	AJLYBKNRFUWGGV-FHWLQOOXSA-N	1	0	364.534	1.778	20	30		FDEDRO
C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1Cc2ccc(C#N)cc2C1	ZINC000876278909	992518832	/nfs/dbraw/zinc/51/88/32/992518832.db2.gz	LJDKQPCRHOTYRZ-OALUTQOASA-N	1	0	356.470	1.778	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1)C(C)C	ZINC000374086400	992596169	/nfs/dbraw/zinc/59/61/69/992596169.db2.gz	ZDSXNXYBPUOSJJ-MRXNPFEDSA-N	1	0	358.442	1.267	20	30		FDEDRO
COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1cc(C#N)ccc1Cl	ZINC000876474697	992645785	/nfs/dbraw/zinc/64/57/85/992645785.db2.gz	GBFFMLDBIYCNCH-KRWDZBQOSA-N	1	0	351.834	1.631	20	30		FDEDRO
COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1ccc(C#N)c(Cl)c1	ZINC000876475309	992647072	/nfs/dbraw/zinc/64/70/72/992647072.db2.gz	JINIQRWMEIMERX-KRWDZBQOSA-N	1	0	351.834	1.631	20	30		FDEDRO
C=CCNC(=O)CN1CC[NH+](CC2(C)CCN(C(=O)OCC)CC2)CC1	ZINC000876554324	992701967	/nfs/dbraw/zinc/70/19/67/992701967.db2.gz	JYOWLOXKQLXMBT-UHFFFAOYSA-N	1	0	366.506	1.165	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000876610403	992741279	/nfs/dbraw/zinc/74/12/79/992741279.db2.gz	ZDLYENFRZZSHQD-RISCZKNCSA-N	1	0	359.879	1.584	20	30		FDEDRO
CN(C(=O)C[N@@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1)C1(C#N)CCCCC1	ZINC000411961942	992742155	/nfs/dbraw/zinc/74/21/55/992742155.db2.gz	FXRIFSRDUIRZMQ-NRFANRHFSA-N	1	0	368.481	1.800	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1	ZINC000876616518	992744429	/nfs/dbraw/zinc/74/44/29/992744429.db2.gz	YRJZETATXVXRSU-HNNXBMFYSA-N	1	0	371.890	1.380	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@@H](O)COc1ccc(F)cc1	ZINC000876620083	992746900	/nfs/dbraw/zinc/74/69/00/992746900.db2.gz	HKYBADLRWZWKEU-VQIMIIECSA-N	1	0	369.396	1.440	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CCCOc1ccc(S(C)(=O)=O)cc1	ZINC000876623705	992749749	/nfs/dbraw/zinc/74/97/49/992749749.db2.gz	QOYJBGPBAARHBC-OAHLLOKOSA-N	1	0	374.890	1.787	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@@]2(C1)CC(=O)c1ccccc1O2	ZINC000411989100	992754386	/nfs/dbraw/zinc/75/43/86/992754386.db2.gz	QYVPKUPVGJHSPA-DJJJIMSYSA-N	1	0	357.410	1.497	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2	ZINC000876675772	992787673	/nfs/dbraw/zinc/78/76/73/992787673.db2.gz	OEBMNTLODGELNW-VXGBXAGGSA-N	1	0	361.225	1.731	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1	ZINC000876692134	992799309	/nfs/dbraw/zinc/79/93/09/992799309.db2.gz	XQCPEANGFBVMOZ-SMDDNHRTSA-N	1	0	363.767	1.992	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1	ZINC000876735677	992850909	/nfs/dbraw/zinc/85/09/09/992850909.db2.gz	BEHJTJURNBPJTF-YOEHRIQHSA-N	1	0	351.878	1.993	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCN(Cc2cscn2)CC1	ZINC000876736222	992851578	/nfs/dbraw/zinc/85/15/78/992851578.db2.gz	URINEFMXMFLSDI-GOSISDBHSA-N	1	0	367.478	1.546	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000876772278	992895256	/nfs/dbraw/zinc/89/52/56/992895256.db2.gz	KSIPARONRYGTFP-XIRDDKMYSA-N	1	0	351.878	1.862	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](C)N1CCN(c2ccccc2)CC1	ZINC000876779998	992905401	/nfs/dbraw/zinc/90/54/01/992905401.db2.gz	AKDNJBCRZBHHEB-NVXWUHKLSA-N	1	0	350.894	1.783	20	30		FDEDRO
N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCC(=O)NCC[NH+]2CCCCCC2)c1	ZINC000412364518	992915854	/nfs/dbraw/zinc/91/58/54/992915854.db2.gz	QBONMBPDPRSTCH-RBUKOAKNSA-N	1	0	368.481	1.770	20	30		FDEDRO
C#CC1CCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC1	ZINC000825916190	992927167	/nfs/dbraw/zinc/92/71/67/992927167.db2.gz	DMBKWDJTYOGEBG-UHFFFAOYSA-N	1	0	370.501	1.434	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NC2(C)CC[NH2+]CC2)s1	ZINC000876832028	992929821	/nfs/dbraw/zinc/92/98/21/992929821.db2.gz	FDQXFUJCGWLPBY-UHFFFAOYSA-N	1	0	357.501	1.013	20	30		FDEDRO
C=CCN(CC(=O)OCC)C(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F	ZINC000876874655	992944453	/nfs/dbraw/zinc/94/44/53/992944453.db2.gz	IKFYNPSKDOUBNH-UHFFFAOYSA-N	1	0	371.388	1.332	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3c2cnccn2)cc1	ZINC001137116910	993063073	/nfs/dbraw/zinc/06/30/73/993063073.db2.gz	VDJBMEDVPCIHQU-MSOLQXFVSA-N	1	0	351.410	1.469	20	30		FDEDRO
C=CC[C@]1(C(=O)NCc2c(I)cnn2C)CCC[NH2+]1	ZINC000877291427	993186077	/nfs/dbraw/zinc/18/60/77/993186077.db2.gz	IDTQMGMXEFDJLW-CYBMUJFWSA-N	1	0	374.226	1.339	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C(=O)N4CCCO4)[C@@H]3C2)cc1	ZINC001137118095	993196540	/nfs/dbraw/zinc/19/65/40/993196540.db2.gz	LUVGOOQUSPUMRJ-QRQLOZEOSA-N	1	0	371.437	1.447	20	30		FDEDRO
N#Cc1ccc([C@@H](C(N)=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc1	ZINC000467206213	993277848	/nfs/dbraw/zinc/27/78/48/993277848.db2.gz	LNILXKZQNSSKRC-IBGZPJMESA-N	1	0	356.470	1.661	20	30		FDEDRO
N#CCOc1ccc(C[NH+]2CCC(C(=O)N3CCC(=O)CC3)CC2)cc1	ZINC001137120647	993298645	/nfs/dbraw/zinc/29/86/45/993298645.db2.gz	YXEFJKMVCOUJQT-UHFFFAOYSA-N	1	0	355.438	1.992	20	30		FDEDRO
Cc1ccc(NC(=O)C(=O)NCCCC#N)cc1NC(=O)CC[NH+](C)C	ZINC000467543021	993316485	/nfs/dbraw/zinc/31/64/85/993316485.db2.gz	NKJIAQNTQCNXJD-UHFFFAOYSA-N	1	0	359.430	1.244	20	30		FDEDRO
CN1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)C1=O	ZINC001095587627	993647012	/nfs/dbraw/zinc/64/70/12/993647012.db2.gz	WPWHEEHAAXZNFL-RDGPPVDQSA-N	1	0	366.465	1.648	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC[C@H](C(N)=O)C1	ZINC000469201265	993790636	/nfs/dbraw/zinc/79/06/36/993790636.db2.gz	SOKBQIGHZGJEPP-ROUUACIJSA-N	1	0	356.470	1.740	20	30		FDEDRO
C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1	ZINC000470014096	993932876	/nfs/dbraw/zinc/93/28/76/993932876.db2.gz	UYGKYFDJRGTZHL-MOPGFXCFSA-N	1	0	368.481	1.992	20	30		FDEDRO
C[NH+]1CCC(NC(=O)CN2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1	ZINC000878390671	993937095	/nfs/dbraw/zinc/93/70/95/993937095.db2.gz	XESYHEUMAAVDBT-IBGZPJMESA-N	1	0	373.476	1.218	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[N@@H+]([C@H](C)CO)CC1	ZINC000470088098	993950303	/nfs/dbraw/zinc/95/03/03/993950303.db2.gz	QQKQCYPCWSGSSX-CYBMUJFWSA-N	1	0	360.458	1.123	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CC[N@@H+](C[C@H](O)C[C@@H](O)c3ccccc3)C2)nc1	ZINC000878641539	994084299	/nfs/dbraw/zinc/08/42/99/994084299.db2.gz	TXPJAQQGKYCEPO-GUDVDZBRSA-N	1	0	353.422	1.891	20	30		FDEDRO
CC(C)[C@H]([NH2+]Cc1cccc(C#N)c1)C(=O)N(C)Cc1nnc2n1CCC2	ZINC000471015365	994231883	/nfs/dbraw/zinc/23/18/83/994231883.db2.gz	VTNFAKIFZBJQTJ-IBGZPJMESA-N	1	0	366.469	1.869	20	30		FDEDRO
C=CCN1CC[C@H](OC(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)C1=O	ZINC000924188245	994465989	/nfs/dbraw/zinc/46/59/89/994465989.db2.gz	YVOAZNGWKIMXMK-VOCYLRNQSA-N	1	0	358.438	1.970	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)c1cccs1)C2	ZINC001110888645	994549226	/nfs/dbraw/zinc/54/92/26/994549226.db2.gz	NRSDOVDJQIAQMN-KFWWJZLASA-N	1	0	359.495	1.497	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCc2ccnn2-c2ccccc2)CC1	ZINC000924448613	994670026	/nfs/dbraw/zinc/67/00/26/994670026.db2.gz	JJHGRMMXDPWXNL-UHFFFAOYSA-N	1	0	351.454	1.812	20	30		FDEDRO
CCOC(=O)[C@H]1C[N@H+](C[C@H](O)CC2(C#N)CCOCC2)CCC1(F)F	ZINC000879368029	994837902	/nfs/dbraw/zinc/83/79/02/994837902.db2.gz	VCJYMNMKHHRYBM-ZIAGYGMSSA-N	1	0	360.401	1.578	20	30		FDEDRO
C#CCN(C(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)C1CC1	ZINC000924880920	995092399	/nfs/dbraw/zinc/09/23/99/995092399.db2.gz	FBIWTNQDEAXJQD-UHFFFAOYSA-N	1	0	364.490	1.783	20	30		FDEDRO
CONC(=O)C1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000879923779	995398780	/nfs/dbraw/zinc/39/87/80/995398780.db2.gz	JTTSTGGWZLTATL-KRWDZBQOSA-N	1	0	356.426	1.443	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C2CC3(CC(NC(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)C3)C2)C1=O	ZINC000965229172	1015943746	/nfs/dbraw/zinc/94/37/46/1015943746.db2.gz	FDECPLJGDBEMCF-MCMJKSBASA-N	1	0	373.497	1.358	20	30		FDEDRO
C=CCN1C(=O)N(CC[N@@H+]2CCCOCC2)C(=O)[C@@H]1Cc1ccccc1	ZINC000925340536	995512262	/nfs/dbraw/zinc/51/22/62/995512262.db2.gz	JMLGHKYETNEKER-SFHVURJKSA-N	1	0	357.454	1.770	20	30		FDEDRO
C[C@H](CC(C)(C)C#N)[NH2+]Cc1ccccc1S(=O)(=O)N(C)CCO	ZINC000925410120	995572008	/nfs/dbraw/zinc/57/20/08/995572008.db2.gz	QNDOCTBFEADDNZ-CQSZACIVSA-N	1	0	353.488	1.717	20	30		FDEDRO
C#CCC1(NC(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CCOCC1	ZINC000925428811	995590242	/nfs/dbraw/zinc/59/02/42/995590242.db2.gz	MZELQFLLRWEZAG-IAGOWNOFSA-N	1	0	361.486	1.008	20	30		FDEDRO
C#CCC1(NC(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)CCOCC1	ZINC000925428813	995590390	/nfs/dbraw/zinc/59/03/90/995590390.db2.gz	MZELQFLLRWEZAG-SJORKVTESA-N	1	0	361.486	1.008	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@@H](N2CCC[C@@H]([NH2+]C3CCOCC3)C2)C1=O	ZINC000880204649	995720799	/nfs/dbraw/zinc/72/07/99/995720799.db2.gz	ZPEHLUGDJGPNIL-IAGOWNOFSA-N	1	0	374.510	1.958	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2	ZINC000925980296	995874396	/nfs/dbraw/zinc/87/43/96/995874396.db2.gz	ZMGVSYFBNVAVFT-FXDBZKHDSA-N	1	0	353.463	1.197	20	30		FDEDRO
N#Cc1ccc(NC(=O)NCCN2CCC([NH3+])CC2)cc1Br	ZINC000926114353	995922836	/nfs/dbraw/zinc/92/28/36/995922836.db2.gz	HGNGKYOHLPJYLC-UHFFFAOYSA-N	1	0	366.263	1.865	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)CCOCC1	ZINC000926142298	995934921	/nfs/dbraw/zinc/93/49/21/995934921.db2.gz	KOBJPOMSGDXNGU-WOCWXWTJSA-N	1	0	350.503	1.955	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)[C@H](C)Oc1ccccc1C#N)C2	ZINC000926182603	995964514	/nfs/dbraw/zinc/96/45/14/995964514.db2.gz	ICZUPSBORQZEKD-IVPHYWMSSA-N	1	0	371.481	1.921	20	30		FDEDRO
N#Cc1cccc([C@H](NC(=O)N2CCNCC[NH2+]CC2)C(F)(F)F)c1	ZINC000926190587	995970044	/nfs/dbraw/zinc/97/00/44/995970044.db2.gz	XJDZRZVHSIYNKE-AWEZNQCLSA-N	1	0	355.364	1.366	20	30		FDEDRO
C#CCN(C(=O)NC[C@@H]1CCCN1CC(F)(F)F)C1CC[NH+](C)CC1	ZINC000926533452	996201574	/nfs/dbraw/zinc/20/15/74/996201574.db2.gz	ZORQGZSXUKTESR-HNNXBMFYSA-N	1	0	360.424	1.752	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)NC[C@H]3C[C@@H]4COC[C@@H]4O3)CC2)cc1	ZINC000926640938	996248991	/nfs/dbraw/zinc/24/89/91/996248991.db2.gz	PYJKTJLPEGHBKD-QRVBRYPASA-N	1	0	370.453	1.189	20	30		FDEDRO
CCO[C@@H](CNC(=O)N1CCN(c2ccsc2C#N)CC1)C[NH+](C)C	ZINC000926847982	996338296	/nfs/dbraw/zinc/33/82/96/996338296.db2.gz	PUHAGEPROHRATF-AWEZNQCLSA-N	1	0	365.503	1.418	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)OC(C)(C)C)CCO2	ZINC000926857357	996345223	/nfs/dbraw/zinc/34/52/23/996345223.db2.gz	CNQZRKBFXLKDIC-GOSISDBHSA-N	1	0	353.463	1.343	20	30		FDEDRO
CCN(C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H]1CC[NH2+]C1	ZINC000886997573	996811396	/nfs/dbraw/zinc/81/13/96/996811396.db2.gz	OKDJIIKIXCYIFX-LLVKDONJSA-N	1	0	352.341	1.309	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)ccc1Cl	ZINC000887032812	996843824	/nfs/dbraw/zinc/84/38/24/996843824.db2.gz	TZHYGGGIROVHJB-JTQLQIEISA-N	1	0	356.760	1.511	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)c1	ZINC000887037768	996857063	/nfs/dbraw/zinc/85/70/63/996857063.db2.gz	CUKQOKFAONBNAL-FQEVSTJZSA-N	1	0	355.438	1.629	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC12CCN(C(=O)C[NH+]1CCCC1)CC2	ZINC000965461287	1016097424	/nfs/dbraw/zinc/09/74/24/1016097424.db2.gz	JMPFFFJHWZDEAH-IKGGRYGDSA-N	1	0	361.486	1.171	20	30		FDEDRO
N#Cc1ncc(C(F)(F)F)cc1-n1cc(CN2CCC[C@@H]([NH3+])C2)nn1	ZINC000887411187	997245044	/nfs/dbraw/zinc/24/50/44/997245044.db2.gz	FTTJETQSCIRBRA-LLVKDONJSA-N	1	0	351.336	1.476	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCC(=O)Nc2cccc(F)c2)cc1OC	ZINC000264079854	997397539	/nfs/dbraw/zinc/39/75/39/997397539.db2.gz	GYNOPVMCNPBNLH-UHFFFAOYSA-N	1	0	374.416	1.928	20	30		FDEDRO
Cc1ccc2c(CCNC(=[NH2+])N3CCN(c4ncccn4)CC3)c[nH]c2c1	ZINC000264118627	997405603	/nfs/dbraw/zinc/40/56/03/997405603.db2.gz	UDICAIZPLKDFAO-UHFFFAOYSA-N	1	0	363.469	1.946	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H](Cc2ccc(O)cc2)C(=O)OC)CC1	ZINC000264209959	997427629	/nfs/dbraw/zinc/42/76/29/997427629.db2.gz	WKZMBSBZBFQAQY-KRWDZBQOSA-N	1	0	358.438	1.185	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)/C=C/c1ccc(OCC(N)=O)cc1	ZINC000264247601	997439287	/nfs/dbraw/zinc/43/92/87/997439287.db2.gz	MUEOJHILKRQFGB-JXMROGBWSA-N	1	0	358.442	1.258	20	30		FDEDRO
COc1cccc(CCCNC(=[NH2+])N2CCN(c3ncccn3)CC2)c1	ZINC000264314255	997457880	/nfs/dbraw/zinc/45/78/80/997457880.db2.gz	VPPZOCAYCCDBAK-UHFFFAOYSA-N	1	0	354.458	1.555	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1	ZINC000264451417	997515690	/nfs/dbraw/zinc/51/56/90/997515690.db2.gz	CRSVTLVXIAPILI-BHYGNILZSA-N	1	0	361.486	1.707	20	30		FDEDRO
C[C@@H](C#N)CN(C)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000264496364	997525390	/nfs/dbraw/zinc/52/53/90/997525390.db2.gz	CAWNISZCOAJWOA-MAUKXSAKSA-N	1	0	371.485	1.685	20	30		FDEDRO
C[C@@]1(C#N)CN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CCO1	ZINC000887675139	997635305	/nfs/dbraw/zinc/63/53/05/997635305.db2.gz	QINFEKKAZITMCA-HXUWFJFHSA-N	1	0	356.470	1.730	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1ccc(N2CCCCCC2)nc1	ZINC000264982551	997666818	/nfs/dbraw/zinc/66/68/18/997666818.db2.gz	LZRFJQUIBLQIEE-UHFFFAOYSA-N	1	0	374.533	1.459	20	30		FDEDRO
CN(C)[C@@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)c1ccco1	ZINC000104154375	998308057	/nfs/dbraw/zinc/30/80/57/998308057.db2.gz	NAVOYOKXNCCHEV-AWEZNQCLSA-N	1	0	365.478	1.750	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC3(C[C@@H]3NC(=O)[C@@H]3C[C@H]3CC)CC2)CC1	ZINC000965575533	1016212754	/nfs/dbraw/zinc/21/27/54/1016212754.db2.gz	JBEHSOATXPYBAS-QRQLOZEOSA-N	1	0	371.525	1.875	20	30		FDEDRO
CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1cccc(CC#N)n1)CC(C)C	ZINC000889787384	998659570	/nfs/dbraw/zinc/65/95/70/998659570.db2.gz	YRAYCSYMVXOUQU-INIZCTEOSA-N	1	0	359.474	1.959	20	30		FDEDRO
C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1cccc(CC#N)n1	ZINC000890070090	998801704	/nfs/dbraw/zinc/80/17/04/998801704.db2.gz	SONDYOMUHACHPR-OAHLLOKOSA-N	1	0	365.437	1.723	20	30		FDEDRO
CC#CCCNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000890166023	998856817	/nfs/dbraw/zinc/85/68/17/998856817.db2.gz	VLJDYLUUKDQYBY-SFHVURJKSA-N	1	0	354.454	1.439	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000890377466	998921422	/nfs/dbraw/zinc/92/14/22/998921422.db2.gz	LSIUCVUEEORZNS-HXUWFJFHSA-N	1	0	367.497	1.729	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCS(C)(=O)=O	ZINC001110863252	999072319	/nfs/dbraw/zinc/07/23/19/999072319.db2.gz	BFEHODYXDZFOOF-XLMAVXFVSA-N	1	0	372.531	1.371	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)Nc1ccccc1)C2	ZINC001110876158	999097708	/nfs/dbraw/zinc/09/77/08/999097708.db2.gz	DCZFSYUKESVTDB-KURKYZTESA-N	1	0	372.469	1.732	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)CCNC(=O)C1N=CC=CC1=O)C(C)C	ZINC000266786926	999233316	/nfs/dbraw/zinc/23/33/16/999233316.db2.gz	ABZYDUSIKXTJHB-JVMRMLDLSA-N	1	0	374.485	1.718	20	30		FDEDRO
Cc1cccc2oc(CCNC(=[NH2+])N3CCN(c4ncccn4)CC3)nc21	ZINC000267442242	999336331	/nfs/dbraw/zinc/33/63/31/999336331.db2.gz	PGIOXBONIZUMIF-UHFFFAOYSA-N	1	0	365.441	1.606	20	30		FDEDRO
COc1ccccc1/C=N/OCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1	ZINC000267448022	999338683	/nfs/dbraw/zinc/33/86/83/999338683.db2.gz	QKWQNYLDIALGLK-GVLJNOETSA-N	1	0	363.458	1.519	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(C(=O)NCC(=O)OCC)CC1	ZINC000269660042	999471174	/nfs/dbraw/zinc/47/11/74/999471174.db2.gz	OITDUZCEGRVPBT-HNNXBMFYSA-N	1	0	367.490	1.191	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCc3ccc(C#N)cc32)C1	ZINC000270239958	999529156	/nfs/dbraw/zinc/52/91/56/999529156.db2.gz	VONISKIKBKCZEA-KRWDZBQOSA-N	1	0	368.481	1.932	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCCCCC[NH+]2CCCCC2)nn1CCC#N	ZINC000270999964	999647487	/nfs/dbraw/zinc/64/74/87/999647487.db2.gz	BPMSDSKIKJXNGQ-UHFFFAOYSA-N	1	0	374.489	1.816	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)nn1CCC#N	ZINC000271204679	999673924	/nfs/dbraw/zinc/67/39/24/999673924.db2.gz	ZTXRDZUDURWIFS-MRXNPFEDSA-N	1	0	372.473	1.378	20	30		FDEDRO
Cn1cc(-c2cc(CON=C(N)c3ccc(C[NH+](C)C)cc3)on2)cn1	ZINC000274350883	999738389	/nfs/dbraw/zinc/73/83/89/999738389.db2.gz	AZOBJNCXPCJCLP-UHFFFAOYSA-N	1	0	354.414	1.974	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(F)c1	ZINC000283286750	999748025	/nfs/dbraw/zinc/74/80/25/999748025.db2.gz	OATJVMFOLWGXOL-CZUORRHYSA-N	1	0	361.392	1.827	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCc2cc(C)ccc2OC)CC1	ZINC000283443265	999754191	/nfs/dbraw/zinc/75/41/91/999754191.db2.gz	KBKIHBKWDCKJEX-UHFFFAOYSA-N	1	0	373.497	1.819	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1	ZINC000284046102	999775770	/nfs/dbraw/zinc/77/57/70/999775770.db2.gz	PNJCMHGKJYRSKT-SFHVURJKSA-N	1	0	359.470	1.649	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000284108857	999777126	/nfs/dbraw/zinc/77/71/26/999777126.db2.gz	CHVYBAQOIATLHU-DLBZAZTESA-N	1	0	357.454	1.611	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCCN2CCc3ccccc32)CC1	ZINC000284360761	999815820	/nfs/dbraw/zinc/81/58/20/999815820.db2.gz	SUCPHJMQGNNEQC-UHFFFAOYSA-N	1	0	370.497	1.322	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(COCC)cc2)CC1	ZINC000284690256	999866039	/nfs/dbraw/zinc/86/60/39/999866039.db2.gz	VYXOVQYSCDRMRE-UHFFFAOYSA-N	1	0	359.470	1.606	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1	ZINC000284942027	999885776	/nfs/dbraw/zinc/88/57/76/999885776.db2.gz	JKVSOTLCJGIZOP-ROUUACIJSA-N	1	0	359.470	1.332	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C)C(=O)NC1(C#N)CCCCC1	ZINC000285038925	999896974	/nfs/dbraw/zinc/89/69/74/999896974.db2.gz	IPLOVVGNMINCRR-JJRVBVJISA-N	1	0	372.473	1.013	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1	ZINC000285473200	999913550	/nfs/dbraw/zinc/91/35/50/999913550.db2.gz	NXOYBJQOUHRNHD-QGZVFWFLSA-N	1	0	374.460	1.751	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCC[N@@H+](CC)C1CC1	ZINC000286052790	999934797	/nfs/dbraw/zinc/93/47/97/999934797.db2.gz	RNUGVBJJGLSNEN-UHFFFAOYSA-N	1	0	354.454	1.673	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](CCCO)c2ccccc2)CC1	ZINC000286471023	999944681	/nfs/dbraw/zinc/94/46/81/999944681.db2.gz	ISCNKSZVKCUMGM-LJQANCHMSA-N	1	0	373.497	1.773	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(CC)Cc2ccc(N(C)C)cc2)CC1	ZINC000286713952	999946925	/nfs/dbraw/zinc/94/69/25/999946925.db2.gz	QQXFYULYTFNEMN-UHFFFAOYSA-N	1	0	372.513	1.868	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccnc(OC(C)C)c2)CC1	ZINC000286722445	999947086	/nfs/dbraw/zinc/94/70/86/999947086.db2.gz	QYOCGJKYZWPICW-UHFFFAOYSA-N	1	0	374.485	1.642	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CCOc2ccccc2)CC1	ZINC000286808865	999951063	/nfs/dbraw/zinc/95/10/63/999951063.db2.gz	VLMUUJMUWUVCDS-UHFFFAOYSA-N	1	0	359.470	1.681	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1	ZINC000287838025	999965208	/nfs/dbraw/zinc/96/52/08/999965208.db2.gz	LBPDBRPCXPAZFO-HNNXBMFYSA-N	1	0	356.470	1.896	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C	ZINC000288161639	999992143	/nfs/dbraw/zinc/99/21/43/999992143.db2.gz	MXSYIAGUXRFNRH-RHSMWYFYSA-N	1	0	373.428	1.861	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1	ZINC000288852240	1000052703	/nfs/dbraw/zinc/05/27/03/1000052703.db2.gz	PFILYAKPTDUVAX-AUUYWEPGSA-N	1	0	363.433	1.453	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CCCN2c3ccccc3C[C@H]2C1	ZINC000289382808	1000095364	/nfs/dbraw/zinc/09/53/64/1000095364.db2.gz	CONSMCHXXJSRRE-SFHVURJKSA-N	1	0	351.454	1.779	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NC[C@@H]1CCN(c2ccccc2F)C1	ZINC000291026025	1000166580	/nfs/dbraw/zinc/16/65/80/1000166580.db2.gz	WPYSELQORJPDEX-INIZCTEOSA-N	1	0	363.481	1.279	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C(N)=O)[C@H](C)c2ccccc2)CC1	ZINC000292262795	1000223976	/nfs/dbraw/zinc/22/39/76/1000223976.db2.gz	KWSUHILULFFFCF-QAPCUYQASA-N	1	0	358.486	1.984	20	30		FDEDRO
N#CCCc1ccc(NC(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1	ZINC000927799540	1001058079	/nfs/dbraw/zinc/05/80/79/1001058079.db2.gz	OUNUVSYSMKBMOQ-DLBZAZTESA-N	1	0	354.454	1.929	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3C[C@@H](F)C[C@H]3C[NH2+]C)cc21	ZINC000927800656	1001060139	/nfs/dbraw/zinc/06/01/39/1001060139.db2.gz	HVUFUGXOVHUNTA-ZFWWWQNUSA-N	1	0	359.405	1.319	20	30		FDEDRO
N#CCCc1ccc(NC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1	ZINC000927808052	1001068587	/nfs/dbraw/zinc/06/85/87/1001068587.db2.gz	XXAJOROMZHKXCT-GXTWGEPZSA-N	1	0	368.359	1.677	20	30		FDEDRO
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C	ZINC000927816493	1001076643	/nfs/dbraw/zinc/07/66/43/1001076643.db2.gz	AVYJRWAWGCQHSB-MCIONIFRSA-N	1	0	360.483	1.991	20	30		FDEDRO
CCOC(=O)N1CCC([C@H](C)[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)CC1	ZINC000777644698	1001089238	/nfs/dbraw/zinc/08/92/38/1001089238.db2.gz	OUFTWHBKXRFUNX-SUMWQHHRSA-N	1	0	358.442	1.931	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c(Cl)c1	ZINC000927849249	1001115656	/nfs/dbraw/zinc/11/56/56/1001115656.db2.gz	PIQLMYWQFMWXHK-GXSJLCMTSA-N	1	0	374.750	1.888	20	30		FDEDRO
C=CCCC[C@@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)OC	ZINC000928312696	1001488691	/nfs/dbraw/zinc/48/86/91/1001488691.db2.gz	GVXWBVXZOABVMJ-OFLPRAFFSA-N	1	0	352.475	1.892	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2c(Br)nc3n2CCCC3)CC1	ZINC000928649412	1001607283	/nfs/dbraw/zinc/60/72/83/1001607283.db2.gz	KEVVPAWVSVMWNY-UHFFFAOYSA-N	1	0	365.275	1.809	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)CC3CC3)cc2)CC1	ZINC000928650063	1001607675	/nfs/dbraw/zinc/60/76/75/1001607675.db2.gz	XHHIDUJEZXEHJK-UHFFFAOYSA-N	1	0	360.479	1.698	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)CC1	ZINC000928656764	1001612626	/nfs/dbraw/zinc/61/26/26/1001612626.db2.gz	CWMVRAAFJPRHFU-KRWDZBQOSA-N	1	0	359.495	1.495	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Cc2nnn(-c3ccc(C)cc3)c2C)CC1	ZINC000928657583	1001613343	/nfs/dbraw/zinc/61/33/43/1001613343.db2.gz	OTRXDFKISUNONN-UHFFFAOYSA-N	1	0	351.454	1.640	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H](NC(=O)NCc2ccccc2)C(C)C)CC1	ZINC000928658983	1001614536	/nfs/dbraw/zinc/61/45/36/1001614536.db2.gz	AOBMURPAWWNGQJ-IBGZPJMESA-N	1	0	370.497	1.724	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)CC1	ZINC000928659234	1001614678	/nfs/dbraw/zinc/61/46/78/1001614678.db2.gz	IYNRROPLQBPSRH-KRWDZBQOSA-N	1	0	357.479	1.416	20	30		FDEDRO
C[NH+](C)CCN1C[C@H](C(=O)NC(C)(C)Cc2ccc(C#N)cc2)CC1=O	ZINC000928699736	1001630608	/nfs/dbraw/zinc/63/06/08/1001630608.db2.gz	IHLAEMXASLKJLS-QGZVFWFLSA-N	1	0	356.470	1.406	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCCc1c[nH]c2ccccc12)C1CC[NH+](C)CC1	ZINC000929117914	1001760273	/nfs/dbraw/zinc/76/02/73/1001760273.db2.gz	AXNLVECEDDJMSA-UHFFFAOYSA-N	1	0	366.465	1.383	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCCN(c3cnc(C#N)cn3)C2)CC[N@@H+]1C	ZINC001110963365	1001793879	/nfs/dbraw/zinc/79/38/79/1001793879.db2.gz	ABFLSFHGYKITKM-IDHHARJASA-N	1	0	356.474	1.411	20	30		FDEDRO
Cn1cc(C2=NC[C@@H](C[NH+]3CCC(Oc4cccc(C#N)c4)CC3)O2)cn1	ZINC000929524857	1002165332	/nfs/dbraw/zinc/16/53/32/1002165332.db2.gz	ORAICUMRBOMQBN-IBGZPJMESA-N	1	0	365.437	1.981	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCCc1ccc(C)cc1C)C1CC[NH+](C)CC1	ZINC000929615942	1002269876	/nfs/dbraw/zinc/26/98/76/1002269876.db2.gz	LGXZKMLGAGPZMS-UHFFFAOYSA-N	1	0	355.482	1.518	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H](C)COc1ccc(C)cc1)C1CC[NH+](C)CC1	ZINC000929625658	1002281548	/nfs/dbraw/zinc/28/15/48/1002281548.db2.gz	XQIMZSIVPLQNDT-QGZVFWFLSA-N	1	0	371.481	1.435	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H](C)COc1ccc(C)cc1)C1CC[NH+](C)CC1	ZINC000929625656	1002281723	/nfs/dbraw/zinc/28/17/23/1002281723.db2.gz	XQIMZSIVPLQNDT-KRWDZBQOSA-N	1	0	371.481	1.435	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CCCN(Cc2nnnn2C)CC1	ZINC000948384636	1002288030	/nfs/dbraw/zinc/28/80/30/1002288030.db2.gz	DOCPDIVWZMSVFU-OAGGEKHMSA-N	1	0	362.478	1.004	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3cc(C)c(C)o3)C[C@H]2C)CC1	ZINC000948402735	1002307788	/nfs/dbraw/zinc/30/77/88/1002307788.db2.gz	XTKDDJLXBGISKK-CRAIPNDOSA-N	1	0	371.481	1.818	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2cc(C(=O)OC)c(F)cc2F)CC1	ZINC000929680712	1002336911	/nfs/dbraw/zinc/33/69/11/1002336911.db2.gz	CESHBSGJPXKGAL-UHFFFAOYSA-N	1	0	351.353	1.971	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC000948458325	1002362306	/nfs/dbraw/zinc/36/23/06/1002362306.db2.gz	JOBFGEAFUKNMPS-QGPMSJSTSA-N	1	0	371.485	1.726	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)CC1	ZINC000948533160	1002426255	/nfs/dbraw/zinc/42/62/55/1002426255.db2.gz	MOLXTTRKSBATML-QRVBRYPASA-N	1	0	373.497	1.006	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1C#N	ZINC000929793826	1002449694	/nfs/dbraw/zinc/44/96/94/1002449694.db2.gz	WYSBHFAKZJMSPX-KRWDZBQOSA-N	1	0	356.470	1.720	20	30		FDEDRO
COC(=O)[C@@H]1CCCC[C@@H]1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000929825113	1002495803	/nfs/dbraw/zinc/49/58/03/1002495803.db2.gz	NEBHIGHMRSNMMQ-ARFHVFGLSA-N	1	0	357.458	1.838	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H]1CCCOc2ccccc21)C1CC[NH+](C)CC1	ZINC000929883781	1002556617	/nfs/dbraw/zinc/55/66/17/1002556617.db2.gz	CDYALIBVZFKXAL-SFHVURJKSA-N	1	0	369.465	1.573	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]([C@H]3CCOC3)C2)CC1	ZINC000930006978	1002729708	/nfs/dbraw/zinc/72/97/08/1002729708.db2.gz	KEJZXOFGEBBPMN-IRXDYDNUSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc3c(c2)ncn3C)CC1	ZINC000930008938	1002731722	/nfs/dbraw/zinc/73/17/22/1002731722.db2.gz	IJQJDFPIEYVJMH-UHFFFAOYSA-N	1	0	369.469	1.346	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](c2ncccn2)C2CC2)CC1	ZINC000930010898	1002733971	/nfs/dbraw/zinc/73/39/71/1002733971.db2.gz	WDXOXSHXVNSTBX-MRXNPFEDSA-N	1	0	357.458	1.201	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000779221815	1002737813	/nfs/dbraw/zinc/73/78/13/1002737813.db2.gz	PJXISXZGWNCFKS-PKOBYXMFSA-N	1	0	360.502	1.660	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1	ZINC000930093857	1002805150	/nfs/dbraw/zinc/80/51/50/1002805150.db2.gz	NSGRCLSZGAVATE-UHFFFAOYSA-N	1	0	374.466	1.959	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	ZINC000930128248	1002853875	/nfs/dbraw/zinc/85/38/75/1002853875.db2.gz	ZKOZHCLKDBMTHG-UZLBHIALSA-N	1	0	357.454	1.278	20	30		FDEDRO
C#CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C	ZINC000948958418	1002874294	/nfs/dbraw/zinc/87/42/94/1002874294.db2.gz	MJPDRULRXXHRPQ-OTWHNJEPSA-N	1	0	353.466	1.450	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](O)COCCOC)CC1	ZINC001110983698	1002929752	/nfs/dbraw/zinc/92/97/52/1002929752.db2.gz	WRLVCWWVUXPPOV-HCXYKTFWSA-N	1	0	366.502	1.478	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1	ZINC000949178174	1003061654	/nfs/dbraw/zinc/06/16/54/1003061654.db2.gz	UYBGTESBYCHVJW-KURKYZTESA-N	1	0	363.502	1.274	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccc(N3CCOCC3)nc2C)CC1	ZINC000930448217	1003144537	/nfs/dbraw/zinc/14/45/37/1003144537.db2.gz	BFQRGYBGRJCWNK-UHFFFAOYSA-N	1	0	357.458	1.446	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H]1C[C@H](OC)C1(CC)CC)C1CC[NH+](C)CC1	ZINC000930511401	1003221770	/nfs/dbraw/zinc/22/17/70/1003221770.db2.gz	ICUTXQKMFCSVHT-IRXDYDNUSA-N	1	0	363.502	1.252	20	30		FDEDRO
C#Cc1ccc(NC(=O)CCN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)cc1	ZINC000930657972	1003368719	/nfs/dbraw/zinc/36/87/19/1003368719.db2.gz	SAKONMSHPFMIDM-LJQANCHMSA-N	1	0	368.481	1.283	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC1)C[N@H+](C[C@H](C)O)CCO2	ZINC000949492741	1003395980	/nfs/dbraw/zinc/39/59/80/1003395980.db2.gz	ICAFMRPTUSGZBS-ULQDDVLXSA-N	1	0	352.475	1.042	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CC[NH+](C[C@@H](O)C4(O)CCC4)CC3)n[nH]2)cc1	ZINC000930994675	1003752012	/nfs/dbraw/zinc/75/20/12/1003752012.db2.gz	ZBTAXJVLPSFCLC-GOSISDBHSA-N	1	0	367.453	1.346	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)C3CC(C)(C)C3)C2)CC1	ZINC000949864759	1003759058	/nfs/dbraw/zinc/75/90/58/1003759058.db2.gz	GUWJQKYIRQAMOL-CRAIPNDOSA-N	1	0	359.514	1.731	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1	ZINC000949878742	1003770324	/nfs/dbraw/zinc/77/03/24/1003770324.db2.gz	ZXURACABKONIQE-XYPHTWIQSA-N	1	0	357.458	1.337	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCC(C)(C)c1ccc(C)cn1)C1CC[NH+](C)CC1	ZINC000931067227	1003842063	/nfs/dbraw/zinc/84/20/63/1003842063.db2.gz	NBKUQPBUUCGTGZ-UHFFFAOYSA-N	1	0	370.497	1.340	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1cccc2[nH]ccc21)C1CC[NH+](C)CC1	ZINC000931165844	1003933738	/nfs/dbraw/zinc/93/37/38/1003933738.db2.gz	QTJQKOOLNQBSTR-UHFFFAOYSA-N	1	0	352.438	1.340	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC([N@@H+]2CCCOCC2)CC1	ZINC000931283443	1004024639	/nfs/dbraw/zinc/02/46/39/1004024639.db2.gz	BRNKZPNUOIVQCH-IBGZPJMESA-N	1	0	357.454	1.959	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Nc1cc(F)c(N2CCOCC2)cc1F	ZINC000931408819	1004130029	/nfs/dbraw/zinc/13/00/29/1004130029.db2.gz	FQZXCEGHUHJYBK-UHFFFAOYSA-N	1	0	352.385	1.488	20	30		FDEDRO
C[NH+](C)CC1(O)CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1	ZINC000931483197	1004199081	/nfs/dbraw/zinc/19/90/81/1004199081.db2.gz	DCHMTJPHTLNCAW-UHFFFAOYSA-N	1	0	350.850	1.539	20	30		FDEDRO
Cc1oc(NC(=O)[C@@H](C)N2CC[NH+](CCCCCO)CC2)c(C#N)c1C	ZINC000931496225	1004214815	/nfs/dbraw/zinc/21/48/15/1004214815.db2.gz	IMLGDVWESBSPQC-OAHLLOKOSA-N	1	0	362.474	1.875	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)CCOCC1	ZINC000931909072	1004599257	/nfs/dbraw/zinc/59/92/57/1004599257.db2.gz	OYIFIGDKPASUBJ-SBHAEUEKSA-N	1	0	356.466	1.958	20	30		FDEDRO
C#CCNC(=O)CC[N@@H+]1C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1	ZINC000931969314	1004657581	/nfs/dbraw/zinc/65/75/81/1004657581.db2.gz	BXXFBHIAZUUWKG-VXGBXAGGSA-N	1	0	363.380	1.513	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC([C@]2(C)COC(=O)N2)CC1	ZINC000932089294	1004763279	/nfs/dbraw/zinc/76/32/79/1004763279.db2.gz	KFCHVJPHUUMARE-BVGQSLNGSA-N	1	0	350.463	1.640	20	30		FDEDRO
C[N@H+]1C[C@H]2CN(C(=O)Nc3cnn(Cc4ccc(C#N)cc4)c3)C[C@H]2C1	ZINC000932181794	1004812614	/nfs/dbraw/zinc/81/26/14/1004812614.db2.gz	DHRAUYCFQOXTHV-CALCHBBNSA-N	1	0	350.426	1.828	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1C#N	ZINC000932476847	1004979264	/nfs/dbraw/zinc/97/92/64/1004979264.db2.gz	MQWGBKYVYHEXDQ-SFHVURJKSA-N	1	0	354.454	1.570	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)cc1C#N	ZINC000932477653	1004979680	/nfs/dbraw/zinc/97/96/80/1004979680.db2.gz	ITBZDIRRYPYWJL-SFHVURJKSA-N	1	0	372.469	1.052	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1C#N	ZINC000932478446	1004980563	/nfs/dbraw/zinc/98/05/63/1004980563.db2.gz	IFEBESAYWAYAON-WMZOPIPTSA-N	1	0	354.454	1.426	20	30		FDEDRO
C=CCNC(=O)C[NH+]1CCC2(CO[C@@H](CNC(=O)OC(C)(C)C)C2)CC1	ZINC000932673238	1005084971	/nfs/dbraw/zinc/08/49/71/1005084971.db2.gz	DKQBEXUOCTVLNH-OAHLLOKOSA-N	1	0	367.490	1.684	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)[NH+](C)C)C2	ZINC001111037174	1005087565	/nfs/dbraw/zinc/08/75/65/1005087565.db2.gz	OAXXSCFIZJSCPO-BDXSIMOUSA-N	1	0	362.518	1.249	20	30		FDEDRO
C[C@@H]1CN(C(=O)N[C@H](CC#N)C(F)(F)F)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000932909448	1005239175	/nfs/dbraw/zinc/23/91/75/1005239175.db2.gz	FHWKRDAAYRQTMG-MGPQQGTHSA-N	1	0	361.412	1.498	20	30		FDEDRO
N#CC[C@H](NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C(F)(F)F	ZINC000932911681	1005239887	/nfs/dbraw/zinc/23/98/87/1005239887.db2.gz	VIZKCXMBJGFKEW-GJZGRUSLSA-N	1	0	370.375	1.897	20	30		FDEDRO
CN1CC[NH+](CC2CCN(C(=O)N[C@H](CC#N)C(F)(F)F)CC2)CC1	ZINC000932922332	1005246155	/nfs/dbraw/zinc/24/61/55/1005246155.db2.gz	MBRGUJVOIDCMSX-CQSZACIVSA-N	1	0	361.412	1.500	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3cc[nH]c31)C2	ZINC001111047785	1005292185	/nfs/dbraw/zinc/29/21/85/1005292185.db2.gz	XNOXMAJJAZUZNP-UWIFEVILSA-N	1	0	364.449	1.641	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H](C)c1ccc2c(c1)CCO2)C1CC[NH+](C)CC1	ZINC000933239868	1005523685	/nfs/dbraw/zinc/52/36/85/1005523685.db2.gz	JITPOKTVVUFWFA-OAHLLOKOSA-N	1	0	369.465	1.355	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(F)c(F)c(F)c1)C2	ZINC001111054712	1005554372	/nfs/dbraw/zinc/55/43/72/1005554372.db2.gz	NMTXEWLPUHTSNO-DFBGVHRSSA-N	1	0	365.355	1.188	20	30		FDEDRO
CC(C)(C)OC(=O)NCC(C)(C)C1CC[NH+](CC(=O)NCC#N)CC1	ZINC000933477861	1005566192	/nfs/dbraw/zinc/56/61/92/1005566192.db2.gz	WHHGJOCRDBVPSY-UHFFFAOYSA-N	1	0	352.479	1.889	20	30		FDEDRO
Cc1noc(C[C@H]2CCC[N@H+](C[C@@H](O)COc3ccccc3C#N)C2)n1	ZINC000933565808	1005580714	/nfs/dbraw/zinc/58/07/14/1005580714.db2.gz	QSRHBPSNYGFITD-NVXWUHKLSA-N	1	0	356.426	1.944	20	30		FDEDRO
C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCO[C@@](C)(C#N)C1	ZINC000933601778	1005587902	/nfs/dbraw/zinc/58/79/02/1005587902.db2.gz	PYPNVRVPGXQGPX-UTKZUKDTSA-N	1	0	370.497	1.770	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[NH2+]C1(C(=O)N2CCOCC2)CCCCC1	ZINC000934058326	1005683269	/nfs/dbraw/zinc/68/32/69/1005683269.db2.gz	XUSBFLHEDISYDX-INIZCTEOSA-N	1	0	364.490	1.146	20	30		FDEDRO
CO[C@@H]1CC[C@@H]1[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000934115145	1005695031	/nfs/dbraw/zinc/69/50/31/1005695031.db2.gz	FKGUXKLJCAKQQH-ARFHVFGLSA-N	1	0	362.499	1.566	20	30		FDEDRO
CO[C@@H]1CC[C@@H]1[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000934115151	1005695054	/nfs/dbraw/zinc/69/50/54/1005695054.db2.gz	FKGUXKLJCAKQQH-HRCADAONSA-N	1	0	362.499	1.566	20	30		FDEDRO
C=CC[C@H]1CC[N@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000934466797	1005749133	/nfs/dbraw/zinc/74/91/33/1005749133.db2.gz	NIAOCDNTZQYJML-HNNXBMFYSA-N	1	0	351.472	1.033	20	30		FDEDRO
CN(C)[S@@](C)(=O)=NCC1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1	ZINC000934756793	1005793923	/nfs/dbraw/zinc/79/39/23/1005793923.db2.gz	WNHCIIIBKPHSCV-BVZFJXPGSA-N	1	0	364.515	1.878	20	30		FDEDRO
COc1cc(C#N)ccc1C(=O)N[C@H]1CC[C@@H]([NH+]2CCN(C)CC2)CC1	ZINC000935392153	1005903809	/nfs/dbraw/zinc/90/38/09/1005903809.db2.gz	IQROUEYWSJEHSC-CALCHBBNSA-N	1	0	356.470	1.855	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(C(CC)CC)n1)C2	ZINC001111100015	1005932501	/nfs/dbraw/zinc/93/25/01/1005932501.db2.gz	ZVALKEYZEVHKIG-NXHRZFHOSA-N	1	0	371.485	1.329	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCC1CC1	ZINC001111107387	1006082663	/nfs/dbraw/zinc/08/26/63/1006082663.db2.gz	RXFFLWHYFIVTEV-YRXWBPOGSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nnn(C)c1C(F)(F)F)C2	ZINC001111112618	1006231311	/nfs/dbraw/zinc/23/13/11/1006231311.db2.gz	WYSUPCKJUVQWEJ-UTUOFQBUSA-N	1	0	373.379	1.372	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1csc(-c3nc[nH]n3)n1)C2	ZINC001111131428	1006351505	/nfs/dbraw/zinc/35/15/05/1006351505.db2.gz	AFWYAEFYLBHSQE-BZPMIXESSA-N	1	0	374.470	1.466	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nc(CC)oc1C)C2	ZINC001111132233	1006358073	/nfs/dbraw/zinc/35/80/73/1006358073.db2.gz	QKVUFOXSMOGFRH-MYPMTAMASA-N	1	0	358.442	1.018	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1	ZINC000638479569	1006540964	/nfs/dbraw/zinc/54/09/64/1006540964.db2.gz	REAVJRBPQXZDGJ-UHFFFAOYSA-N	1	0	358.442	1.034	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C1	ZINC000954395174	1006694500	/nfs/dbraw/zinc/69/45/00/1006694500.db2.gz	YHSYRRZYFWZLLU-KSZLIROESA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1	ZINC000954840141	1007049846	/nfs/dbraw/zinc/04/98/46/1007049846.db2.gz	LRBFNWKWHBNKSG-IEZWGBDMSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC[C@@H]1CCCCO1	ZINC001111487645	1007057555	/nfs/dbraw/zinc/05/75/55/1007057555.db2.gz	YRCHYIGCEZLVQL-HCXYKTFWSA-N	1	0	366.502	1.886	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCc2ccccc21)N[C@@H]1CCc2nc(COC)nn2C1	ZINC000159095249	1007106643	/nfs/dbraw/zinc/10/66/43/1007106643.db2.gz	LRMGIMQQUGAZLG-JKSUJKDBSA-N	1	0	368.485	1.634	20	30		FDEDRO
N#Cc1cccc(NC(=O)N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1	ZINC001202782528	1007134604	/nfs/dbraw/zinc/13/46/04/1007134604.db2.gz	GMJMNYCFWCFSQD-IRXDYDNUSA-N	1	0	364.409	1.718	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2	ZINC001111263147	1007331676	/nfs/dbraw/zinc/33/16/76/1007331676.db2.gz	BKIZXNRYNQNKDK-QRVBRYPASA-N	1	0	374.529	1.132	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1	ZINC000955345668	1007348520	/nfs/dbraw/zinc/34/85/20/1007348520.db2.gz	CZWGTDMTYLSYAN-SJORKVTESA-N	1	0	363.502	1.369	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3CC(C)C)C2)CC1	ZINC000955369432	1007400166	/nfs/dbraw/zinc/40/01/66/1007400166.db2.gz	ZSZJQTDGZZBFII-IEBWSBKVSA-N	1	0	359.514	1.683	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CCN(C(=O)[C@@H]3C[C@H]3C3CCC3)C2)CC1	ZINC000957070223	1007646047	/nfs/dbraw/zinc/64/60/47/1007646047.db2.gz	OKJKQPRFUFOKLQ-JQVVWYNYSA-N	1	0	371.525	1.875	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3occc3C)C[C@H]2C)CC1	ZINC000947530795	1007682460	/nfs/dbraw/zinc/68/24/60/1007682460.db2.gz	NLTNQOPURBBCJJ-NVXWUHKLSA-N	1	0	357.454	1.510	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2C2CC2)CC1	ZINC000956033346	1007786679	/nfs/dbraw/zinc/78/66/79/1007786679.db2.gz	ZVAWAVCAGUJZBK-GBESFXJTSA-N	1	0	357.498	1.485	20	30		FDEDRO
Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1C[C@H](N2CCOCC2)C[C@@H]1C	ZINC000795692849	1007979577	/nfs/dbraw/zinc/97/95/77/1007979577.db2.gz	RDJIXVWZKXBGPR-HNAYVOBHSA-N	1	0	366.469	1.878	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3OCC#N)CC[C@H]21	ZINC000247250615	1008073055	/nfs/dbraw/zinc/07/30/55/1008073055.db2.gz	YHDNDAMSIPNKDI-XJKSGUPXSA-N	1	0	374.416	1.609	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1	ZINC000950047087	1008691473	/nfs/dbraw/zinc/69/14/73/1008691473.db2.gz	DWWNLEFQRDKTNN-HHXXYDBFSA-N	1	0	369.465	1.370	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C3(C4CC4)CC3)C[C@H]2C)CC1	ZINC000950085201	1008716684	/nfs/dbraw/zinc/71/66/84/1008716684.db2.gz	ZXWWQWCWZOOPQZ-CRAIPNDOSA-N	1	0	357.498	1.485	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCN1C(=O)C12CCC[NH+]1CCC2	ZINC000950216604	1008865898	/nfs/dbraw/zinc/86/58/98/1008865898.db2.gz	NAJLYMMPEJTCLX-IKGGRYGDSA-N	1	0	361.486	1.313	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@H]3OCCN(C(=O)[C@H]4CCC[N@H+]4C)[C@H]3C2)CC1	ZINC000960140254	1009587843	/nfs/dbraw/zinc/58/78/43/1009587843.db2.gz	WZOBTDVDKRBADS-FGTMMUONSA-N	1	0	361.486	1.265	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH+]1CCC(Nc2cc(F)ncn2)CC1	ZINC001111321582	1009599653	/nfs/dbraw/zinc/59/96/53/1009599653.db2.gz	UMDIVFJEBCOJJX-CABCVRRESA-N	1	0	363.437	1.199	20	30		FDEDRO
C[NH+]=C(NCCNc1ccc2ccccc2n1)NCCN1CCOCC1	ZINC000303865092	1009643385	/nfs/dbraw/zinc/64/33/85/1009643385.db2.gz	BPBDCKXZUOAEEB-UHFFFAOYSA-N	1	0	356.474	1.144	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCCOc1ccc(C(F)(F)F)cc1	ZINC000303897362	1009681564	/nfs/dbraw/zinc/68/15/64/1009681564.db2.gz	UYZJZIDSVVOFDK-UHFFFAOYSA-N	1	0	374.407	1.711	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3OCCN(C(=O)C4CC[NH+](C)CC4)[C@H]3C2)C1	ZINC000960582500	1010415334	/nfs/dbraw/zinc/41/53/34/1010415334.db2.gz	CNVPHLXPKYUUPK-DLBZAZTESA-N	1	0	361.486	1.123	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H](NC(=O)[C@@H]3C[C@H]3CCC)C2)CC1	ZINC000951078956	1010428581	/nfs/dbraw/zinc/42/85/81/1010428581.db2.gz	NKTQYQQWZCDIFP-CEXWTWQISA-N	1	0	359.514	1.875	20	30		FDEDRO
Cc1cccc(OCCNC(=O)CO[NH+]=C(N)c2ccc(N(C)C)cc2)c1	ZINC000079863259	1010704224	/nfs/dbraw/zinc/70/42/24/1010704224.db2.gz	CUEMYTQCIXCFMV-UHFFFAOYSA-N	1	0	370.453	1.893	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2ccc(C(N)=O)cc2)C1	ZINC000962414419	1011244166	/nfs/dbraw/zinc/24/41/66/1011244166.db2.gz	MWEHBYRWMXJFDL-FYOYPEGLSA-N	1	0	371.481	1.751	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1	ZINC000952120057	1011263345	/nfs/dbraw/zinc/26/33/45/1011263345.db2.gz	JEGVBEQQUPRUSW-MKXGPGLRSA-N	1	0	373.497	1.006	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccc2c[nH+]cn2c1	ZINC000952178052	1011392176	/nfs/dbraw/zinc/39/21/76/1011392176.db2.gz	SWXDRLZFELFNEY-BBWFWOEESA-N	1	0	354.410	1.256	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cccc(C(N)=O)c1	ZINC000960882585	1011613463	/nfs/dbraw/zinc/61/34/63/1011613463.db2.gz	JEAZUHPOEMCAHC-QRVBRYPASA-N	1	0	371.481	1.799	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@H]3[C@H]2CCCN3C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC000962953081	1011707833	/nfs/dbraw/zinc/70/78/33/1011707833.db2.gz	DWGLNFAMHSSULL-PILAGYSTSA-N	1	0	369.469	1.432	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H](O)C2)C1	ZINC000963004309	1011749083	/nfs/dbraw/zinc/74/90/83/1011749083.db2.gz	RSSIFMZZSKDJPX-BBWFWOEESA-N	1	0	363.502	1.295	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C(C)C)[C@@H](O)C2)C1	ZINC000963044224	1011781192	/nfs/dbraw/zinc/78/11/92/1011781192.db2.gz	ZGTCFCLHKUJLLC-IKGGRYGDSA-N	1	0	363.502	1.294	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1cncn1C	ZINC000952785823	1012033753	/nfs/dbraw/zinc/03/37/53/1012033753.db2.gz	SZGKJNYEVZTMNB-AALSBFMBSA-N	1	0	355.442	1.275	20	30		FDEDRO
C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1nc2ccccc2c(=O)n1CC#N	ZINC000796429953	1012117959	/nfs/dbraw/zinc/11/79/59/1012117959.db2.gz	QNIPYZLYFUHSJV-HZPDHXFCSA-N	1	0	351.454	1.979	20	30		FDEDRO
N#Cc1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1F	ZINC000961260470	1012136948	/nfs/dbraw/zinc/13/69/48/1012136948.db2.gz	CILKQNBLNQGIGL-NSJLZPGHSA-N	1	0	367.424	1.667	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+](CCO)C2)CC1	ZINC000961374605	1012302285	/nfs/dbraw/zinc/30/22/85/1012302285.db2.gz	SMKLNFDVQWSEIA-QRVBRYPASA-N	1	0	350.503	1.911	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)c3ccc(C#N)[nH]3)CC2)CC[N@@H+]1C	ZINC000953874470	1012696673	/nfs/dbraw/zinc/69/66/73/1012696673.db2.gz	LBGLYBPCBHTBID-CZUORRHYSA-N	1	0	357.458	1.290	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(CCOCCOC)CC2)CC1	ZINC000650852132	1012844109	/nfs/dbraw/zinc/84/41/09/1012844109.db2.gz	RNWJCFZZEMRDQN-UHFFFAOYSA-N	1	0	368.522	1.017	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1	ZINC000953947858	1012934700	/nfs/dbraw/zinc/93/47/00/1012934700.db2.gz	JKMQQYNDXBJRQF-SZMVWBNQSA-N	1	0	363.502	1.369	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2CC23CCN(C(=O)c2c[nH]c(C#N)c2)CC3)CC[N@@H+]1C	ZINC000963924765	1012966730	/nfs/dbraw/zinc/96/67/30/1012966730.db2.gz	LFSXVFRZLMIGPB-KBRIMQKVSA-N	1	0	369.469	1.337	20	30		FDEDRO
Cn1cc(C[NH2+]C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1C#N	ZINC000191115282	178040799	/nfs/dbraw/zinc/04/07/99/178040799.db2.gz	LQDPGMPIQQBGSW-UHFFFAOYSA-N	1	0	372.494	1.981	20	30		FDEDRO
C[C@H](CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[N@H+](C)C1CC1	ZINC000192344883	178110773	/nfs/dbraw/zinc/11/07/73/178110773.db2.gz	AFBFKTJNWDGVNS-KDOFPFPSSA-N	1	0	369.469	1.441	20	30		FDEDRO
C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)CC2	ZINC000193066487	178145173	/nfs/dbraw/zinc/14/51/73/178145173.db2.gz	CQLIERKFBOTFLY-CABCVRRESA-N	1	0	357.458	1.748	20	30		FDEDRO
N#Cc1cc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)ccn1	ZINC000193788162	178181351	/nfs/dbraw/zinc/18/13/51/178181351.db2.gz	OAVMSLROHGUSIN-LJQANCHMSA-N	1	0	350.422	1.840	20	30		FDEDRO
N#Cc1c(NC(=O)CC[N@H+]2C[C@H](O)C[C@H]2CO)sc2c1CCCCC2	ZINC000245643466	178373694	/nfs/dbraw/zinc/37/36/94/178373694.db2.gz	ASTMMXIRCMUWHY-QWHCGFSZSA-N	1	0	363.483	1.645	20	30		FDEDRO
C[C@@H]1C[C@H](CCNC(=O)Cn2cnc(C#N)n2)C[N@@H+]1Cc1ccccc1	ZINC000510085478	538952775	/nfs/dbraw/zinc/95/27/75/538952775.db2.gz	IIHBXBXGKBKYAC-WBVHZDCISA-N	1	0	352.442	1.567	20	30		FDEDRO
CC[C@@H]1CN(CC(=O)Nc2sc(C)c(C)c2C#N)CC[N@@H+]1C[C@H](C)O	ZINC000246366294	178419800	/nfs/dbraw/zinc/41/98/00/178419800.db2.gz	NMEAOPUJJHKFGE-SWLSCSKDSA-N	1	0	364.515	1.952	20	30		FDEDRO
C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1ccc(C#N)cc1F	ZINC000512646830	538978798	/nfs/dbraw/zinc/97/87/98/538978798.db2.gz	DMSGHRZVOBOCRJ-LLVKDONJSA-N	1	0	352.391	1.456	20	30		FDEDRO
C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)CC[NH2+]1	ZINC000262806213	178805063	/nfs/dbraw/zinc/80/50/63/178805063.db2.gz	SHEKSROWYCXFIS-SKDRFNHKSA-N	1	0	358.261	1.740	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000518810982	539448887	/nfs/dbraw/zinc/44/88/87/539448887.db2.gz	DMUVAKYMJCFDHW-HNNXBMFYSA-N	1	0	372.469	1.384	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(C(=O)COc3ccc(C#N)cc3)CC2)c1	ZINC000264200847	179047505	/nfs/dbraw/zinc/04/75/05/179047505.db2.gz	QYDBYGCLTAXTCV-UHFFFAOYSA-N	1	0	352.394	1.689	20	30		FDEDRO
CC(C)OCCOC[C@@H](O)CN(C)[C@H](C)C(=O)Nc1cccc(C#N)c1	ZINC000265443568	179378570	/nfs/dbraw/zinc/37/85/70/179378570.db2.gz	ACEMBSQICHWOEH-QAPCUYQASA-N	1	0	363.458	1.620	20	30		FDEDRO
C[C@@H]1COCCN1C1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1	ZINC000528511881	539764283	/nfs/dbraw/zinc/76/42/83/539764283.db2.gz	WQKGKFPDBVMHEV-APWZRJJASA-N	1	0	359.470	1.483	20	30		FDEDRO
COC(=O)CC1([NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)CCOCC1	ZINC000269041121	180203526	/nfs/dbraw/zinc/20/35/26/180203526.db2.gz	IUOCZRHRJRNSTM-UHFFFAOYSA-N	1	0	365.455	1.877	20	30		FDEDRO
COCC[N@H+](CCc1cn(CC(=O)OC)nn1)Cc1ccc(C#N)cc1	ZINC000269577815	180333573	/nfs/dbraw/zinc/33/35/73/180333573.db2.gz	OOWLRWDLMBOEEO-UHFFFAOYSA-N	1	0	357.414	1.014	20	30		FDEDRO
CCOC(=O)CNC(=O)C1CC[NH+](CCOc2ccc(C#N)cc2)CC1	ZINC000269650282	180350741	/nfs/dbraw/zinc/35/07/41/180350741.db2.gz	MCNLHXDDPHPLHA-UHFFFAOYSA-N	1	0	359.426	1.328	20	30		FDEDRO
C[N@H+](CC(=O)NCc1ccc(C#N)cc1)CC(C)(C)CN1CCOCC1	ZINC000269761606	180381557	/nfs/dbraw/zinc/38/15/57/180381557.db2.gz	BOWQQWHEQFBZRK-UHFFFAOYSA-N	1	0	358.486	1.465	20	30		FDEDRO
CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000529322487	539818862	/nfs/dbraw/zinc/81/88/62/539818862.db2.gz	MFYRBDQZGHYLAM-MSOLQXFVSA-N	1	0	369.469	1.299	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CC(=O)N(c2ccccc2F)C1	ZINC000530233431	539916325	/nfs/dbraw/zinc/91/63/25/539916325.db2.gz	JDBXMIMUQMGUFF-JKSUJKDBSA-N	1	0	369.396	1.832	20	30		FDEDRO
Cn1nccc1N1CCC[C@@H]([NH2+]C[C@H](O)COc2ccccc2C#N)C1	ZINC000530234633	539916484	/nfs/dbraw/zinc/91/64/84/539916484.db2.gz	SBGGMIJJSLZHSP-SJORKVTESA-N	1	0	355.442	1.290	20	30		FDEDRO
Cn1ccnc1[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2C#N)CCO1	ZINC000530234133	539916616	/nfs/dbraw/zinc/91/66/16/539916616.db2.gz	NTZVCXSZSATPSX-RYRKJORJSA-N	1	0	356.426	1.541	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)cc2C1=O	ZINC000530766892	540038625	/nfs/dbraw/zinc/03/86/25/540038625.db2.gz	FGFNRHWHJABNQL-GXTWGEPZSA-N	1	0	353.422	1.824	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NC1(C#N)CC1	ZINC000532387533	540158289	/nfs/dbraw/zinc/15/82/89/540158289.db2.gz	GAQJVTDKSSLDPH-UHFFFAOYSA-N	1	0	364.471	1.011	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C)nn2CCC#N)C[C@H]1C	ZINC000532565527	540173925	/nfs/dbraw/zinc/17/39/25/540173925.db2.gz	ZHILEWVUNFXKMF-HUUCEWRRSA-N	1	0	360.462	1.375	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1	ZINC000275091230	181235672	/nfs/dbraw/zinc/23/56/72/181235672.db2.gz	HWXGVRGYKHAEAS-WCQYABFASA-N	1	0	368.359	1.886	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+]C(C)(C)C(=O)N(C)C)c(OC)c1	ZINC000533387074	540241658	/nfs/dbraw/zinc/24/16/58/540241658.db2.gz	ZINYHTCRQUSDHZ-OAHLLOKOSA-N	1	0	350.459	1.620	20	30		FDEDRO
CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[N@H+](C)CC2)cc1C#N	ZINC000275280752	181278090	/nfs/dbraw/zinc/27/80/90/181278090.db2.gz	SQKKQEOZQGCSTN-UHFFFAOYSA-N	1	0	373.413	1.229	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CCc2nc(-c3ccoc3)no2)c1C#N	ZINC000536304916	540577028	/nfs/dbraw/zinc/57/70/28/540577028.db2.gz	JJIGVYYSFJPRTH-UHFFFAOYSA-N	1	0	369.385	1.648	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH+]1CCC(OCCN2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000536933197	540661783	/nfs/dbraw/zinc/66/17/83/540661783.db2.gz	NILMWOVFPCSWHZ-ZACQAIPSSA-N	1	0	353.507	1.267	20	30		FDEDRO
CN(CCN(C)S(=O)(=O)c1ccc(C#N)cc1F)C1CC[NH+](C)CC1	ZINC000537035509	540676398	/nfs/dbraw/zinc/67/63/98/540676398.db2.gz	JHBFSOGQFWVUGX-UHFFFAOYSA-N	1	0	368.478	1.344	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1	ZINC000538239400	540830781	/nfs/dbraw/zinc/83/07/81/540830781.db2.gz	WAOXXKSLHCTSSS-UHFFFAOYSA-N	1	0	367.453	1.723	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1	ZINC000538255856	540832853	/nfs/dbraw/zinc/83/28/53/540832853.db2.gz	RLBJJVXXICJOBT-AWEZNQCLSA-N	1	0	358.490	1.909	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2ccccc2C#N)C[C@@H]1[NH+]1CCCC1	ZINC000275482099	181328882	/nfs/dbraw/zinc/32/88/82/181328882.db2.gz	NXWHFAWEYFSCBX-LSDHHAIUSA-N	1	0	351.497	1.759	20	30		FDEDRO
C=CCCOCCCCC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000540494731	541067264	/nfs/dbraw/zinc/06/72/64/541067264.db2.gz	IGMIBXKIRWDXDK-UHFFFAOYSA-N	1	0	351.491	1.516	20	30		FDEDRO
C=CCOc1ccc(C[NH2+][C@H](C)C(=O)NC[C@H]2CCS(=O)(=O)C2)cc1	ZINC000540602771	541080199	/nfs/dbraw/zinc/08/01/99/541080199.db2.gz	QDFYJYMVVSYWNM-GDBMZVCRSA-N	1	0	366.483	1.280	20	30		FDEDRO
CN(CCC(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1cc[nH+]cc1	ZINC000540926936	541116095	/nfs/dbraw/zinc/11/60/95/541116095.db2.gz	MMCLWIJJTSMFAP-UHFFFAOYSA-N	1	0	350.426	1.523	20	30		FDEDRO
CC[C@H]1C[C@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)CC(=O)N1	ZINC000541675175	541244663	/nfs/dbraw/zinc/24/46/63/541244663.db2.gz	STKLSIFTEZMCGV-ROUUACIJSA-N	1	0	356.470	1.753	20	30		FDEDRO
C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2C[NH2+]CCO2)nc1C	ZINC000269214593	674107778	/nfs/dbraw/zinc/10/77/78/674107778.db2.gz	SXYXBSLSLSVSJJ-VIFPVBQESA-N	1	0	366.472	1.112	20	30		FDEDRO
CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000282750208	182051488	/nfs/dbraw/zinc/05/14/88/182051488.db2.gz	BYOGXSVVIFPANM-QGZVFWFLSA-N	1	0	366.469	1.995	20	30		FDEDRO
N#Cc1ccc(CN2CCCN(C(=O)C(=O)NCc3ccoc3)CC2)cc1	ZINC000282959333	182083267	/nfs/dbraw/zinc/08/32/67/182083267.db2.gz	BXHHKZBJMXJMRM-UHFFFAOYSA-N	1	0	366.421	1.502	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc(C#N)cc1	ZINC000283518493	182204909	/nfs/dbraw/zinc/20/49/09/182204909.db2.gz	CGUOHUFEVKZXLQ-WBAXXEDZSA-N	1	0	354.454	1.678	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)C1	ZINC000283852034	182293601	/nfs/dbraw/zinc/29/36/01/182293601.db2.gz	FSTNSNBKNYZUSA-WBVHZDCISA-N	1	0	356.470	1.972	20	30		FDEDRO
C[N@H+](CCCNC(=O)C(=O)NCc1cccc(C#N)c1)C1CCCCC1	ZINC000283851839	182293664	/nfs/dbraw/zinc/29/36/64/182293664.db2.gz	FRKNYPHFIJGPCB-UHFFFAOYSA-N	1	0	356.470	1.945	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC(n2ccnc2)CC1)c1ccc(C#N)cc1	ZINC000284118378	182370554	/nfs/dbraw/zinc/37/05/54/182370554.db2.gz	VDXVUPOYBGQXEO-AWEZNQCLSA-N	1	0	351.410	1.796	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1	ZINC000284176532	182389527	/nfs/dbraw/zinc/38/95/27/182389527.db2.gz	ZEOLEEUJMILCLC-IEBWSBKVSA-N	1	0	366.465	1.650	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1	ZINC000546003760	542072899	/nfs/dbraw/zinc/07/28/99/542072899.db2.gz	ZMOZJXLTVHTAEU-MRXNPFEDSA-N	1	0	370.453	1.696	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1	ZINC000546005619	542072573	/nfs/dbraw/zinc/07/25/73/542072573.db2.gz	SALCKIFZOFOBSE-UHFFFAOYSA-N	1	0	358.442	1.744	20	30		FDEDRO
CCO[C@H]1COCC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000546159533	542112691	/nfs/dbraw/zinc/11/26/91/542112691.db2.gz	SKTZNJLFYVGQIL-MOPGFXCFSA-N	1	0	374.485	1.825	20	30		FDEDRO
C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000286407466	183058276	/nfs/dbraw/zinc/05/82/76/183058276.db2.gz	FDDDJYXUSIBJOU-OAHLLOKOSA-N	1	0	372.469	1.384	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)NCc2ccccc2C[NH+]2CCCC2)n1	ZINC000286540429	183091793	/nfs/dbraw/zinc/09/17/93/183091793.db2.gz	VOMKYVMTLIVQEC-UHFFFAOYSA-N	1	0	353.430	1.245	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)n1	ZINC000287082057	183208888	/nfs/dbraw/zinc/20/88/88/183208888.db2.gz	YATKVWBRKCOXHI-UHFFFAOYSA-N	1	0	367.457	1.361	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000546709031	542206378	/nfs/dbraw/zinc/20/63/78/542206378.db2.gz	DCOUOQWFSCEGQX-INIZCTEOSA-N	1	0	371.441	1.337	20	30		FDEDRO
C[C@@H]([NH2+]C(C)(C)CNC(=O)NCCn1cnc(C#N)n1)c1ccccc1	ZINC000287624761	183340042	/nfs/dbraw/zinc/34/00/42/183340042.db2.gz	OUVJBLJTDNRRTF-CQSZACIVSA-N	1	0	355.446	1.578	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1	ZINC000546926053	542262186	/nfs/dbraw/zinc/26/21/86/542262186.db2.gz	KJDXPSVHDLRZMR-UHFFFAOYSA-N	1	0	356.474	1.658	20	30		FDEDRO
Cn1cc(C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)c(-c2ccc(C#N)cc2)n1	ZINC000295031994	184028777	/nfs/dbraw/zinc/02/87/77/184028777.db2.gz	DFFZLVPKCTWEER-OALUTQOASA-N	1	0	351.454	1.864	20	30		FDEDRO
CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000294975608	184024435	/nfs/dbraw/zinc/02/44/35/184024435.db2.gz	GDNBOSGUNSJTOI-INIZCTEOSA-N	1	0	361.471	1.376	20	30		FDEDRO
C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(Br)cc3C#N)[C@H]2C1	ZINC000295469975	184074830	/nfs/dbraw/zinc/07/48/30/184074830.db2.gz	LUQHLKCCPWIMQL-LSDHHAIUSA-N	1	0	364.243	1.866	20	30		FDEDRO
CC(C)(C[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1)C(N)=O	ZINC000295770835	184103248	/nfs/dbraw/zinc/10/32/48/184103248.db2.gz	YLPSYSLZSJQVHM-IAGOWNOFSA-N	1	0	359.470	1.912	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC[N@@H+](C2CC2)C1	ZINC000296355720	184157235	/nfs/dbraw/zinc/15/72/35/184157235.db2.gz	VHXQNJHTLIKHCP-AWEZNQCLSA-N	1	0	352.438	1.390	20	30		FDEDRO
CCOc1cc(C[NH2+]CCn2cnc(C#N)n2)cc(Br)c1O	ZINC000298080452	184388660	/nfs/dbraw/zinc/38/86/60/184388660.db2.gz	LUFPDQLAKNYMEO-UHFFFAOYSA-N	1	0	366.219	1.806	20	30		FDEDRO
CN(Cc1ccon1)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000298013829	184375468	/nfs/dbraw/zinc/37/54/68/184375468.db2.gz	WUYHRUXAFDBGSR-UHFFFAOYSA-N	1	0	369.425	1.095	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(OC(F)F)cn2)c1C#N	ZINC000547853125	542465149	/nfs/dbraw/zinc/46/51/49/542465149.db2.gz	UGVGYDZDKHXNLM-UHFFFAOYSA-N	1	0	350.329	1.682	20	30		FDEDRO
N#Cc1ccsc1NC(=O)CCN1CC[NH+](CC2CCOCC2)CC1	ZINC000172424100	258276328	/nfs/dbraw/zinc/27/63/28/258276328.db2.gz	HEQBTKFDKHPRMQ-UHFFFAOYSA-N	1	0	362.499	1.993	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1	ZINC000173147047	258291844	/nfs/dbraw/zinc/29/18/44/258291844.db2.gz	AGRFRZDAHPFXJM-OAHLLOKOSA-N	1	0	360.433	1.997	20	30		FDEDRO
COc1cc(=NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)[nH]n1C	ZINC000548496075	542683760	/nfs/dbraw/zinc/68/37/60/542683760.db2.gz	CALQHZJPCBJKSP-UHFFFAOYSA-N	1	0	356.430	1.896	20	30		FDEDRO
C=CCn1c([C@@H]2COCCO2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1	ZINC000548850657	542791194	/nfs/dbraw/zinc/79/11/94/542791194.db2.gz	TXVVPPFSBZNPIT-IRXDYDNUSA-N	1	0	361.490	1.864	20	30		FDEDRO
C=C(C)Cn1c(CCCC)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000549634413	542910177	/nfs/dbraw/zinc/91/01/77/542910177.db2.gz	NNBSNEMAOAQTOO-UHFFFAOYSA-N	1	0	374.533	1.941	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1	ZINC000550343803	543074481	/nfs/dbraw/zinc/07/44/81/543074481.db2.gz	LXTZWOAWCYABHZ-IAGOWNOFSA-N	1	0	355.486	1.892	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)c1	ZINC000550502853	543117267	/nfs/dbraw/zinc/11/72/67/543117267.db2.gz	UKXRNTQJLLGREU-ZWKOTPCHSA-N	1	0	364.467	1.242	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2)c1ccc(C#N)cc1	ZINC000550591731	543132217	/nfs/dbraw/zinc/13/22/17/543132217.db2.gz	JANHBVWBDRNXNQ-HNNXBMFYSA-N	1	0	354.454	1.822	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NC1C[C@H](C)O[C@@H](C)C1)C(C)C	ZINC000550834785	543184087	/nfs/dbraw/zinc/18/40/87/543184087.db2.gz	OEUIMVKPTCFBLS-XYJFISCASA-N	1	0	365.518	1.873	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Nc2nnn(Cc3noc(C)n3)c2C)CC1	ZINC000551959219	543388534	/nfs/dbraw/zinc/38/85/34/543388534.db2.gz	SKVBFGQDJJLZNZ-UHFFFAOYSA-N	1	0	374.449	1.488	20	30		FDEDRO
COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1(c2cc(F)cc(C#N)c2)CC1	ZINC000552132844	543423365	/nfs/dbraw/zinc/42/33/65/543423365.db2.gz	KVVQYHSRYQBVLT-HNNXBMFYSA-N	1	0	356.357	1.353	20	30		FDEDRO
CCS(=O)(=O)N1CC(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1	ZINC000552282877	543446225	/nfs/dbraw/zinc/44/62/25/543446225.db2.gz	QNQFTULDLATVNM-UHFFFAOYSA-N	1	0	362.499	1.398	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)c1	ZINC000286211634	675892725	/nfs/dbraw/zinc/89/27/25/675892725.db2.gz	SQLHHVPTIGIJBE-HEHGZKQESA-N	1	0	351.472	1.267	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC([NH+](CCOC)CCOC)CC1	ZINC000552690431	543502116	/nfs/dbraw/zinc/50/21/16/543502116.db2.gz	RTRWZDIMFHMXTP-QZTJIDSGSA-N	1	0	354.491	1.553	20	30		FDEDRO
C=CCN(CC1CCCCC1)C(=O)C(=O)NC[C@@H]1CCC[N@H+]1CCOC	ZINC000552939723	543540082	/nfs/dbraw/zinc/54/00/82/543540082.db2.gz	VYIZINJUULVUEE-SFHVURJKSA-N	1	0	365.518	1.808	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000069805127	172032280	/nfs/dbraw/zinc/03/22/80/172032280.db2.gz	MXZHGEJEZKFXBZ-FUHWJXTLSA-N	1	0	356.470	1.929	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C	ZINC000072639465	172045715	/nfs/dbraw/zinc/04/57/15/172045715.db2.gz	IIPVKWDZHWCWBZ-JKSUJKDBSA-N	1	0	370.453	1.979	20	30		FDEDRO
Cc1cncc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1	ZINC000079879344	172167017	/nfs/dbraw/zinc/16/70/17/172167017.db2.gz	PSUBIDVTHGUTFY-UHFFFAOYSA-N	1	0	365.437	1.791	20	30		FDEDRO
Cc1ncccc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000081160582	172183272	/nfs/dbraw/zinc/18/32/72/172183272.db2.gz	LKGSVFPYWUVHJZ-UHFFFAOYSA-N	1	0	365.437	1.791	20	30		FDEDRO
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)n1	ZINC000091218818	172279036	/nfs/dbraw/zinc/27/90/36/172279036.db2.gz	REMPYXAQHMTHMH-CQSZACIVSA-N	1	0	358.446	1.145	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)N2CCN(c3ncccc3C#N)CC2)CC1	ZINC000107328088	172468388	/nfs/dbraw/zinc/46/83/88/172468388.db2.gz	GYZFAISFGGSMIO-UHFFFAOYSA-N	1	0	356.474	1.659	20	30		FDEDRO
CCC[NH+]1CCC(N2CCN(C(=O)COc3ccccc3C#N)CC2)CC1	ZINC000112325291	172575400	/nfs/dbraw/zinc/57/54/00/172575400.db2.gz	CZMNRRFUEPXZBB-UHFFFAOYSA-N	1	0	370.497	1.956	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)n1	ZINC000122224849	172890347	/nfs/dbraw/zinc/89/03/47/172890347.db2.gz	FORMHUKWIMCQIT-ZFWWWQNUSA-N	1	0	358.446	1.217	20	30		FDEDRO
N#Cc1ccc([C@@H](O)CN2CCN(CC(=O)Nc3ccccc3)CC2)cc1	ZINC000126947739	173059400	/nfs/dbraw/zinc/05/94/00/173059400.db2.gz	UOCIGDMMPXWQQV-FQEVSTJZSA-N	1	0	364.449	1.848	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1c(F)cc(C#N)cc1F	ZINC000132722505	173240998	/nfs/dbraw/zinc/24/09/98/173240998.db2.gz	SYWIUJOBILHLKK-HNNXBMFYSA-N	1	0	364.396	1.509	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000141455876	173376479	/nfs/dbraw/zinc/37/64/79/173376479.db2.gz	KSXUEXDJBDTICO-MAUKXSAKSA-N	1	0	369.469	1.124	20	30		FDEDRO
C[NH+](C)C1CCN(CCNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)CC1	ZINC000153684560	173478120	/nfs/dbraw/zinc/47/81/20/173478120.db2.gz	MFPZOORHVMRONS-UHFFFAOYSA-N	1	0	371.485	1.357	20	30		FDEDRO
CN1CC[N@H+](CCCNC(=O)c2c[nH]c(C#N)c2)[C@H](c2ccccc2)C1	ZINC000181202571	174211640	/nfs/dbraw/zinc/21/16/40/174211640.db2.gz	MDBJJXVMLIOICV-IBGZPJMESA-N	1	0	351.454	1.995	20	30		FDEDRO
Cn1cc(C[N@H+](C)C[C@@H](O)CN2CCOCC2)c(-c2ccc(C#N)cc2)n1	ZINC000180184816	258363768	/nfs/dbraw/zinc/36/37/68/258363768.db2.gz	CDOXGOGVVGONTK-LJQANCHMSA-N	1	0	369.469	1.084	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1	ZINC000173793961	258310902	/nfs/dbraw/zinc/31/09/02/258310902.db2.gz	HZYVJSPXKRSJMQ-UHFFFAOYSA-N	1	0	372.469	1.691	20	30		FDEDRO
C[NH+](C)CCN1C[C@@H](C(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1=O	ZINC000173867102	258313285	/nfs/dbraw/zinc/31/32/85/258313285.db2.gz	AUZVSBBDGBUANI-KRWDZBQOSA-N	1	0	354.454	1.459	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CNC(=O)c1cccnc1	ZINC000178610261	258329901	/nfs/dbraw/zinc/32/99/01/258329901.db2.gz	GKVHJXMOYRJZOR-UHFFFAOYSA-N	1	0	365.437	1.273	20	30		FDEDRO
CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000178776444	258335608	/nfs/dbraw/zinc/33/56/08/258335608.db2.gz	DKOQXNZDYLZNPU-KRWDZBQOSA-N	1	0	357.454	1.896	20	30		FDEDRO
C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC1(O)CCOCC1	ZINC000189761767	258387556	/nfs/dbraw/zinc/38/75/56/258387556.db2.gz	MPSGFJNQYSWZAU-UHFFFAOYSA-N	1	0	363.483	1.910	20	30		FDEDRO
C[C@@H]1CN(C(C)(C)C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)C[C@@H](C)O1	ZINC000553295356	543605048	/nfs/dbraw/zinc/60/50/48/543605048.db2.gz	WLXMITOUMQETLG-NUJGCVRESA-N	1	0	361.486	1.775	20	30		FDEDRO
C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)NCC(=O)NCC#N)cc2)C1	ZINC000553447558	543638136	/nfs/dbraw/zinc/63/81/36/543638136.db2.gz	VBNCVJLFXPMNTO-IYBDPMFKSA-N	1	0	371.485	1.603	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC2(CCOCC)CC2)CC1	ZINC000553735478	543689042	/nfs/dbraw/zinc/68/90/42/543689042.db2.gz	SELFDWJVUINPDR-UHFFFAOYSA-N	1	0	351.491	1.466	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](Nc3ccccc3)C2)CC1	ZINC000553669221	543677923	/nfs/dbraw/zinc/67/79/23/543677923.db2.gz	NTZWQKPZRVJRPK-GOSISDBHSA-N	1	0	356.470	1.466	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(CCOC)Cc2cccs2)CC1	ZINC000553670914	543678320	/nfs/dbraw/zinc/67/83/20/543678320.db2.gz	LZZHUBPIEYNJJI-UHFFFAOYSA-N	1	0	365.499	1.490	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](c2ncc(C)s2)C2CC2)CC1	ZINC000553671970	543678412	/nfs/dbraw/zinc/67/84/12/543678412.db2.gz	CYQKDMUZFXWFSO-HNNXBMFYSA-N	1	0	362.499	1.785	20	30		FDEDRO
C[N@H+](CCN1CCN(C(=O)c2cnccc2C#N)CC1)Cc1ccccc1	ZINC000553937997	543721826	/nfs/dbraw/zinc/72/18/26/543721826.db2.gz	OFQUECLRVVNRIB-UHFFFAOYSA-N	1	0	363.465	1.843	20	30		FDEDRO
CN(CC(=O)OC(C)(C)C)[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)C[C@H]1O	ZINC000553895382	543713533	/nfs/dbraw/zinc/71/35/33/543713533.db2.gz	URVSSPZKEICTRR-QZTJIDSGSA-N	1	0	359.470	1.571	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)[C@@H](Cc1c[nH]cn1)NC(=O)C1CCCCC1	ZINC000555549554	543971743	/nfs/dbraw/zinc/97/17/43/543971743.db2.gz	BYBRMWWNLGOPSA-QGZVFWFLSA-N	1	0	370.457	1.673	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)c1	ZINC000556032536	544078544	/nfs/dbraw/zinc/07/85/44/544078544.db2.gz	BNFYJWUMTQWRQO-UHFFFAOYSA-N	1	0	368.481	1.899	20	30		FDEDRO
C[N@@H+]1CCC[C@H](CCNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000556779888	544200209	/nfs/dbraw/zinc/20/02/09/544200209.db2.gz	YSWUCCLKZXOPCF-NVXWUHKLSA-N	1	0	357.458	1.848	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1	ZINC000557180389	544257973	/nfs/dbraw/zinc/25/79/73/544257973.db2.gz	GOAIXALOGHWUSY-LJQANCHMSA-N	1	0	368.481	1.798	20	30		FDEDRO
CC(C)[N@@H+]1CCO[C@H](CN2CCN(c3nccc(C#N)c3Cl)CC2)C1	ZINC000557585291	544313791	/nfs/dbraw/zinc/31/37/91/544313791.db2.gz	QVEALHYZKAJRFD-MRXNPFEDSA-N	1	0	363.893	1.838	20	30		FDEDRO
N#Cc1cnn2c1NC[C@@H](C[NH2+]CCc1nccn1Cc1ccccc1)C2	ZINC000557596563	544315594	/nfs/dbraw/zinc/31/55/94/544315594.db2.gz	IOMCBACVPBIFHH-QGZVFWFLSA-N	1	0	361.453	1.874	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@H](OC(C)C)C2(C)C)CC1	ZINC000557757608	544342524	/nfs/dbraw/zinc/34/25/24/544342524.db2.gz	ZXSVDSOQKMJBLU-SJORKVTESA-N	1	0	365.518	1.851	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC[N@H+]1CCCC[C@@H]1CC	ZINC000558361391	544414872	/nfs/dbraw/zinc/41/48/72/544414872.db2.gz	PJNUIDTZTGFZRN-IKGGRYGDSA-N	1	0	351.491	1.465	20	30		FDEDRO
CC[NH+]1CCC(CNC(=O)N2CCN(c3cnccc3C#N)CC2)CC1	ZINC000559006857	544568938	/nfs/dbraw/zinc/56/89/38/544568938.db2.gz	YMHRBKACKCNZQZ-UHFFFAOYSA-N	1	0	356.474	1.517	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000559070419	544584889	/nfs/dbraw/zinc/58/48/89/544584889.db2.gz	NBQCEKBAPMUIBG-IRXDYDNUSA-N	1	0	357.458	1.990	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)NC3(CC[NH2+]CC3)C2=O)c(OC(F)F)c1	ZINC000570629538	549351682	/nfs/dbraw/zinc/35/16/82/549351682.db2.gz	KIZLSQIKIWHQPA-UHFFFAOYSA-N	1	0	350.325	1.334	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1	ZINC000560342637	544965308	/nfs/dbraw/zinc/96/53/08/544965308.db2.gz	JMUCYOAEXAHCDT-MSOLQXFVSA-N	1	0	350.422	1.627	20	30		FDEDRO
C=CCn1c([C@@H]2COCCO2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1	ZINC000560353181	544970315	/nfs/dbraw/zinc/97/03/15/544970315.db2.gz	WHDXUVLJMWMUBK-RDJZCZTQSA-N	1	0	361.490	1.863	20	30		FDEDRO
COC[C@H](O)C[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1	ZINC000926371540	782027050	/nfs/dbraw/zinc/02/70/50/782027050.db2.gz	JOSIFQCZENSOOR-LSDHHAIUSA-N	1	0	355.479	1.903	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2COc3ccccc3O2)cc1	ZINC000560369212	544979775	/nfs/dbraw/zinc/97/97/75/544979775.db2.gz	OVQSDILMCDMGHD-FUHWJXTLSA-N	1	0	354.406	1.922	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N	ZINC000299589257	259008603	/nfs/dbraw/zinc/00/86/03/259008603.db2.gz	WCWMMYPTKDGEQA-QGZVFWFLSA-N	1	0	370.432	1.608	20	30		FDEDRO
C[N@H+](CCNc1ccc(S(N)(=O)=O)cc1C#N)Cc1ccc(F)cc1	ZINC000301490820	259028981	/nfs/dbraw/zinc/02/89/81/259028981.db2.gz	BCIROPFTNYGLNT-UHFFFAOYSA-N	1	0	362.430	1.889	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2OCCN([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)[C@@H]2C1	ZINC000329017825	259072454	/nfs/dbraw/zinc/07/24/54/259072454.db2.gz	KTIHUUSOLFZULJ-OTWHNJEPSA-N	1	0	354.454	1.459	20	30		FDEDRO
CS(=O)(=O)NC[C@@H]1CCC[N@H+](CCC(=O)Nc2sccc2C#N)C1	ZINC000330455517	259145314	/nfs/dbraw/zinc/14/53/14/259145314.db2.gz	OHAOOEFOISSBMD-LBPRGKRZSA-N	1	0	370.500	1.210	20	30		FDEDRO
C[NH+](C)CCCN(C(=O)c1sccc1C#N)[C@@H]1CCS(=O)(=O)C1	ZINC000331241642	259182793	/nfs/dbraw/zinc/18/27/93/259182793.db2.gz	NBNNMCQHVOHRGV-CYBMUJFWSA-N	1	0	355.485	1.201	20	30		FDEDRO
Cc1cc(NC(=O)N2CCC([N@H+](C)CCO)CC2)c(C#N)cc1N(C)C	ZINC000331250697	259183105	/nfs/dbraw/zinc/18/31/05/259183105.db2.gz	ZQTNJOZSVCVQJT-UHFFFAOYSA-N	1	0	359.474	1.853	20	30		FDEDRO
CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)s1	ZINC000331820425	259221901	/nfs/dbraw/zinc/22/19/01/259221901.db2.gz	PHVAOFKOVNOLIR-DGCLKSJQSA-N	1	0	360.483	1.924	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1	ZINC000331908228	259227879	/nfs/dbraw/zinc/22/78/79/259227879.db2.gz	ANCGBLJYMROTBX-HKUYNNGSSA-N	1	0	370.497	1.954	20	30		FDEDRO
N#Cc1ccc([C@H](C(N)=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)cc1	ZINC000332159728	259246279	/nfs/dbraw/zinc/24/62/79/259246279.db2.gz	YMCPKSLPTNKRDP-QGZVFWFLSA-N	1	0	358.442	1.294	20	30		FDEDRO
C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000332331576	259257858	/nfs/dbraw/zinc/25/78/58/259257858.db2.gz	QWDQFOKGXVDSPL-OALUTQOASA-N	1	0	355.486	1.868	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)CC[C@H]21	ZINC000332554188	259276665	/nfs/dbraw/zinc/27/66/65/259276665.db2.gz	RRZUSEXAYCAKNL-GXTWGEPZSA-N	1	0	364.427	1.571	20	30		FDEDRO
CN1CCO[C@@H](CN(CC2CC2)S(=O)(=O)c2ccc(C#N)s2)C1	ZINC000333190890	259321394	/nfs/dbraw/zinc/32/13/94/259321394.db2.gz	VUUYQYOOXKJKNX-CYBMUJFWSA-N	1	0	355.485	1.351	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3CCCC[NH2+]C3)C2=O)cc1	ZINC000333536886	259357756	/nfs/dbraw/zinc/35/77/56/259357756.db2.gz	ISINEYIQKIIADH-RDJZCZTQSA-N	1	0	355.442	1.495	20	30		FDEDRO
Cc1cc(S(=O)(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)ccc1C#N	ZINC000333697118	259370854	/nfs/dbraw/zinc/37/08/54/259370854.db2.gz	QIAXKLOWYARAKU-AEFFLSMTSA-N	1	0	363.483	1.774	20	30		FDEDRO
N#Cc1cc(N2CCC[C@@H](N3CCNCC3=O)C2)ccc1C(F)(F)F	ZINC000333924443	259394491	/nfs/dbraw/zinc/39/44/91/259394491.db2.gz	SXWAPESLNLUGHH-CQSZACIVSA-N	1	0	352.360	1.978	20	30		FDEDRO
COc1cc(C#N)ccc1C[N@@H+]1CCCN(c2ncccc2C(N)=O)CC1	ZINC000362428953	259493700	/nfs/dbraw/zinc/49/37/00/259493700.db2.gz	LIBLDFGHOAZPRK-UHFFFAOYSA-N	1	0	365.437	1.773	20	30		FDEDRO
C[C@](O)(C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)CN1CCOCC1	ZINC000367614016	260068480	/nfs/dbraw/zinc/06/84/80/260068480.db2.gz	FCPMIOSNAAUPJN-FQEVSTJZSA-N	1	0	358.486	1.200	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CCN2CC[C@@H](O)c3ccccc3C2)nc1	ZINC000367994620	260120978	/nfs/dbraw/zinc/12/09/78/260120978.db2.gz	SSDGESXAROBHDQ-QGZVFWFLSA-N	1	0	357.435	1.666	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21	ZINC000368021838	260124358	/nfs/dbraw/zinc/12/43/58/260124358.db2.gz	TYGYWSNSULYDKW-CRAIPNDOSA-N	1	0	366.469	1.703	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)NCCC[NH+]3CCCCC3)C2)nc1	ZINC000368121374	260137830	/nfs/dbraw/zinc/13/78/30/260137830.db2.gz	HCXIDMSCOQTCRE-QGZVFWFLSA-N	1	0	357.458	1.992	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CCN2CC[C@@](CO)(c3ccccc3)C2)nc1	ZINC000368259274	260157733	/nfs/dbraw/zinc/15/77/33/260157733.db2.gz	AGGNQYZPYVZVID-LJQANCHMSA-N	1	0	371.462	1.363	20	30		FDEDRO
CC(C)c1nccn1[C@H]1CCCN(C(=O)NCCn2cnc(C#N)n2)C1	ZINC000368581980	260204808	/nfs/dbraw/zinc/20/48/08/260204808.db2.gz	CXFIZGIUJXLMHC-AWEZNQCLSA-N	1	0	356.434	1.516	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCCO[C@H]4CCC[C@@H]43)CC2)o1	ZINC000369471466	260372939	/nfs/dbraw/zinc/37/29/39/260372939.db2.gz	OMWJFRRZUXMHPH-IRXDYDNUSA-N	1	0	373.457	1.147	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C[C@@H](O)COc1ccc(C#N)cc1	ZINC000371295542	260686307	/nfs/dbraw/zinc/68/63/07/260686307.db2.gz	SHBNRVXUKNEYJE-HNBVOPMISA-N	1	0	359.470	1.481	20	30		FDEDRO
C[C@@H](C(=O)NCCc1cccs1)[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000373411426	261008679	/nfs/dbraw/zinc/00/86/79/261008679.db2.gz	GTEKTKDVZAFQTO-ZDUSSCGKSA-N	1	0	358.471	1.596	20	30		FDEDRO
N#Cc1ncccc1S(=O)(=O)N1CCCN(Cc2ccccc2F)CC1	ZINC000373773535	261039531	/nfs/dbraw/zinc/03/95/31/261039531.db2.gz	ALDOLZVCKYHHTR-UHFFFAOYSA-N	1	0	374.441	1.989	20	30		FDEDRO
Cc1oc(NC(=O)CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(C#N)c1C	ZINC000374420813	261128306	/nfs/dbraw/zinc/12/83/06/261128306.db2.gz	MKWMAKVMRXNLBK-DJIMGWMZSA-N	1	0	360.458	1.890	20	30		FDEDRO
C[C@@H](CO)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1	ZINC000375505484	261356844	/nfs/dbraw/zinc/35/68/44/261356844.db2.gz	BGLAZOCPQDHYPD-LBPRGKRZSA-N	1	0	364.833	1.065	20	30		FDEDRO
CCOC(=O)Nc1ccc(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)cc1C#N	ZINC000378302691	262004343	/nfs/dbraw/zinc/00/43/43/262004343.db2.gz	AZSALPBQXBEBID-INIZCTEOSA-N	1	0	357.414	1.455	20	30		FDEDRO
C[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)n1cnc(C#N)n1	ZINC000409600264	262128558	/nfs/dbraw/zinc/12/85/58/262128558.db2.gz	IBIQWTAETNRGTP-ZIAGYGMSSA-N	1	0	358.471	1.801	20	30		FDEDRO
N#Cc1cccc(-n2ccc(C(=O)NCCCC[N@H+]3CCC[C@@H]3CO)n2)c1	ZINC000409869474	262142777	/nfs/dbraw/zinc/14/27/77/262142777.db2.gz	QHPLTJUFETUPRT-GOSISDBHSA-N	1	0	367.453	1.711	20	30		FDEDRO
CCN(C(=O)[C@@H](C)n1cnc(C#N)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000409939636	262146090	/nfs/dbraw/zinc/14/60/90/262146090.db2.gz	XULNEHGQWZUIPR-NVXWUHKLSA-N	1	0	352.442	1.834	20	30		FDEDRO
CC[C@@H]1C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@H]1O	ZINC000270968191	674293078	/nfs/dbraw/zinc/29/30/78/674293078.db2.gz	VVRDODBSUSQGFI-GDBMZVCRSA-N	1	0	354.372	1.876	20	30		FDEDRO
CC[NH+](CC)CCN(C(=O)C#Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1	ZINC000271077446	674306149	/nfs/dbraw/zinc/30/61/49/674306149.db2.gz	PRCLSJOBQJXLNS-GOSISDBHSA-N	1	0	362.495	1.396	20	30		FDEDRO
C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)CNc1ccc(C#N)cn1	ZINC000535737904	490520331	/nfs/dbraw/zinc/52/03/31/490520331.db2.gz	IFDPAEUFDCXOTK-UHFFFAOYSA-N	1	0	361.446	1.097	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)CC1	ZINC000504052984	490787124	/nfs/dbraw/zinc/78/71/24/490787124.db2.gz	GUEYZQUAGAIXJT-UHFFFAOYSA-N	1	0	358.446	1.200	20	30		FDEDRO
Cc1cc(NC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)ncc1C#N	ZINC000603119671	492015303	/nfs/dbraw/zinc/01/53/03/492015303.db2.gz	KEUQQYSTUJVGOZ-KRWDZBQOSA-N	1	0	372.473	1.180	20	30		FDEDRO
Cn1cc(C#N)c(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)n1	ZINC000610876850	492266016	/nfs/dbraw/zinc/26/60/16/492266016.db2.gz	RLUHTCJHCVJYTL-IAGOWNOFSA-N	1	0	368.441	1.296	20	30		FDEDRO
N#Cc1cccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1	ZINC000011091914	518550766	/nfs/dbraw/zinc/55/07/66/518550766.db2.gz	PEGGUNOBFGNWBO-UHFFFAOYSA-N	1	0	371.462	1.869	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCN3C(=O)CCC3=O)CC2)cc1	ZINC000028690880	519245786	/nfs/dbraw/zinc/24/57/86/519245786.db2.gz	LRAFEWJVWOIYCS-UHFFFAOYSA-N	1	0	368.437	1.132	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]([C@@H](C)C3CC3)C3CC3)CC2)o1	ZINC000029726290	519316114	/nfs/dbraw/zinc/31/61/14/519316114.db2.gz	RRQZVBSWUPMYLT-ZDUSSCGKSA-N	1	0	357.458	1.766	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1	ZINC000031229670	519419937	/nfs/dbraw/zinc/41/99/37/519419937.db2.gz	YMIYMHJZZCQBEG-OAHLLOKOSA-N	1	0	363.483	1.202	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C(C)C	ZINC000042393676	519690606	/nfs/dbraw/zinc/69/06/06/519690606.db2.gz	SNRSEYOPXNZDEY-IRXDYDNUSA-N	1	0	371.547	1.473	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000043004144	521808305	/nfs/dbraw/zinc/80/83/05/521808305.db2.gz	UJMSHRCTSNTEOT-UHFFFAOYSA-N	1	0	374.489	1.987	20	30		FDEDRO
CC[NH+](CC)[C@@H](CNS(=O)(=O)N(C)CCC#N)c1cccc(OC)c1	ZINC000045799044	522161172	/nfs/dbraw/zinc/16/11/72/522161172.db2.gz	FWULWZJMURMEPL-KRWDZBQOSA-N	1	0	368.503	1.758	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000058491485	522264560	/nfs/dbraw/zinc/26/45/60/522264560.db2.gz	XEBNBZRVEQGWOW-CQSZACIVSA-N	1	0	360.483	1.990	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH+](CCOC)CCOC)c(OC)c1	ZINC000046345570	522280518	/nfs/dbraw/zinc/28/05/18/522280518.db2.gz	MEFVPOZRAIXPHJ-KRWDZBQOSA-N	1	0	353.459	1.758	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)NCC[N@H+]2CCCC[C@@H]2C)c1	ZINC000046857313	522369322	/nfs/dbraw/zinc/36/93/22/522369322.db2.gz	OXNHZFQZSCXMIJ-HNNXBMFYSA-N	1	0	363.483	1.202	20	30		FDEDRO
CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(C#N)ccc1OC	ZINC000072855669	522410145	/nfs/dbraw/zinc/41/01/45/522410145.db2.gz	UBVFBFPGNNIQMK-OAHLLOKOSA-N	1	0	358.442	1.886	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCNC(=O)c1ccco1	ZINC000047010516	522421639	/nfs/dbraw/zinc/42/16/39/522421639.db2.gz	DXYMWQMBPJOTCR-UHFFFAOYSA-N	1	0	368.437	1.862	20	30		FDEDRO
NC(=[NH+]OCC(=O)NCc1ccco1)c1ccc(N2CCC(O)CC2)cc1	ZINC000072921393	522426407	/nfs/dbraw/zinc/42/64/07/522426407.db2.gz	OSNXPBQRKQGMMN-UHFFFAOYSA-N	1	0	372.425	1.194	20	30		FDEDRO
C#CCCNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1	ZINC000073085914	522461752	/nfs/dbraw/zinc/46/17/52/522461752.db2.gz	SXDHXXLPXIPBCT-UHFFFAOYSA-N	1	0	370.453	1.579	20	30		FDEDRO
C[NH+](C)CCNC(=O)C1CCN(C(=O)Nc2ccc(CC#N)cc2)CC1	ZINC000062379318	522525483	/nfs/dbraw/zinc/52/54/83/522525483.db2.gz	PGQKRAOPFLLNAK-UHFFFAOYSA-N	1	0	357.458	1.674	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1)[NH+]1CCC(C)CC1	ZINC000065479128	522826273	/nfs/dbraw/zinc/82/62/73/522826273.db2.gz	GUDYZIZKVYGSHI-KRWDZBQOSA-N	1	0	370.501	1.905	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)[NH+]1CCC(C)CC1	ZINC000065477079	522827406	/nfs/dbraw/zinc/82/74/06/522827406.db2.gz	VXUPOKTYZIRCRA-QGZVFWFLSA-N	1	0	370.501	1.905	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1	ZINC000050202812	522902067	/nfs/dbraw/zinc/90/20/67/522902067.db2.gz	WUBUUSQJYGSLCG-INIZCTEOSA-N	1	0	370.453	1.981	20	30		FDEDRO
C[C@@H](NC(=O)c1ccoc1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000065930385	522922066	/nfs/dbraw/zinc/92/20/66/522922066.db2.gz	VENBPRPVVXXEOS-OAHLLOKOSA-N	1	0	368.437	1.860	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(CC[NH+]2CCCC2)CC1	ZINC000075694662	522958460	/nfs/dbraw/zinc/95/84/60/522958460.db2.gz	WOEUNBNGELZAKW-QGZVFWFLSA-N	1	0	356.470	1.566	20	30		FDEDRO
CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C1	ZINC000051049248	522963318	/nfs/dbraw/zinc/96/33/18/522963318.db2.gz	GFPOQKXLPWKXSI-IAGOWNOFSA-N	1	0	361.490	1.659	20	30		FDEDRO
CCCCNC(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000051060266	522966391	/nfs/dbraw/zinc/96/63/91/522966391.db2.gz	RHARLMTZYZNTTI-MSOLQXFVSA-N	1	0	359.470	1.926	20	30		FDEDRO
C[NH+](C)CCn1cc(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)cn1	ZINC000066241459	522997154	/nfs/dbraw/zinc/99/71/54/522997154.db2.gz	KXRPANIRWWCGBO-UHFFFAOYSA-N	1	0	364.413	1.337	20	30		FDEDRO
CC[C@H](CO)[NH+]1CCN(CC(=O)N(CCC#N)c2cccc(C)c2C)CC1	ZINC000075958996	522997595	/nfs/dbraw/zinc/99/75/95/522997595.db2.gz	XSIXVULPLAHFTQ-LJQANCHMSA-N	1	0	372.513	1.939	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)nc(C)n3C)CC1	ZINC000076512882	523127875	/nfs/dbraw/zinc/12/78/75/523127875.db2.gz	UNNVADBDMTZOTB-UHFFFAOYSA-N	1	0	355.442	1.587	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(N3CCCC3)c2)CC1	ZINC000076513166	523130739	/nfs/dbraw/zinc/13/07/39/523130739.db2.gz	LBFLDQGXSCAUKS-UHFFFAOYSA-N	1	0	356.470	1.992	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)[NH+]1CCCC1	ZINC000076599259	523144256	/nfs/dbraw/zinc/14/42/56/523144256.db2.gz	XTFBUFQSMZXYDE-LLVKDONJSA-N	1	0	366.368	1.699	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1	ZINC000076673049	523167084	/nfs/dbraw/zinc/16/70/84/523167084.db2.gz	KLMNAJXTVRSAHU-CQSZACIVSA-N	1	0	361.417	1.576	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@H](C)[NH+]1CCCC1	ZINC000052641522	523225321	/nfs/dbraw/zinc/22/53/21/523225321.db2.gz	GNXPQJVONWOXTQ-CYBMUJFWSA-N	1	0	354.458	1.751	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)CC1	ZINC000067130161	523328482	/nfs/dbraw/zinc/32/84/82/523328482.db2.gz	KLIDHHBTCVJOEW-UHFFFAOYSA-N	1	0	363.483	1.657	20	30		FDEDRO
N#Cc1ccc(CNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c(F)c1	ZINC000077670812	523409609	/nfs/dbraw/zinc/40/96/09/523409609.db2.gz	OXLCORUIILDJBR-OAHLLOKOSA-N	1	0	360.433	1.997	20	30		FDEDRO
C[NH+](C)CCOc1cccc(CNS(=O)(=O)c2ccc(C#N)cc2)c1	ZINC000055246724	523778195	/nfs/dbraw/zinc/77/81/95/523778195.db2.gz	GEHGBKBKXPADMS-UHFFFAOYSA-N	1	0	359.451	1.977	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1	ZINC000081030099	523933120	/nfs/dbraw/zinc/93/31/20/523933120.db2.gz	DCYPRNAEZRWGIJ-UHFFFAOYSA-N	1	0	365.437	1.846	20	30		FDEDRO
C[NH+]1CCN(c2ccc(NC(=O)Cc3ccc(OCC#N)cc3)nc2)CC1	ZINC000110633879	524114949	/nfs/dbraw/zinc/11/49/49/524114949.db2.gz	XNDWURONBWSJMQ-UHFFFAOYSA-N	1	0	365.437	1.917	20	30		FDEDRO
C=CCNC(=O)c1ccc(NCc2ccnc(OCC[NH+](C)C)c2)nc1	ZINC000135387717	524136676	/nfs/dbraw/zinc/13/66/76/524136676.db2.gz	HBBKPLONIWBHEG-UHFFFAOYSA-N	1	0	355.442	1.945	20	30		FDEDRO
C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(C)(C)C[NH+](C)C	ZINC000081731757	524175100	/nfs/dbraw/zinc/17/51/00/524175100.db2.gz	UVFHFDNKVHQBQT-CQSZACIVSA-N	1	0	365.499	1.566	20	30		FDEDRO
O=C(C#Cc1ccc2c(c1)OCO2)NCC1([NH+]2CCCCC2)CCOCC1	ZINC000136273221	524193609	/nfs/dbraw/zinc/19/36/09/524193609.db2.gz	YBWXBTOAXWQMCM-UHFFFAOYSA-N	1	0	370.449	1.918	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1	ZINC000121557697	524292542	/nfs/dbraw/zinc/29/25/42/524292542.db2.gz	OGVMGNLZBDKCHU-QGZVFWFLSA-N	1	0	372.469	1.436	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(CCO)Cc2ccc(OC)cc2OC)CC1	ZINC000111658397	524318341	/nfs/dbraw/zinc/31/83/41/524318341.db2.gz	XRUNMBHGHXFWOH-UHFFFAOYSA-N	1	0	360.454	1.370	20	30		FDEDRO
Cc1nccn1-c1ccc(CNS(=O)(=O)c2ccccc2C#N)cn1	ZINC000157725199	524326317	/nfs/dbraw/zinc/32/63/17/524326317.db2.gz	OLQNCEDGLVXTBY-UHFFFAOYSA-N	1	0	353.407	1.926	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[N@@H+]2CCC[C@H]2C1	ZINC000141889796	524342109	/nfs/dbraw/zinc/34/21/09/524342109.db2.gz	MHNKBCTUWURSSM-KRWDZBQOSA-N	1	0	366.469	1.847	20	30		FDEDRO
CCC[C@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)CC[N@@H+]1CCOC	ZINC000121733097	524343567	/nfs/dbraw/zinc/34/35/67/524343567.db2.gz	KRSQONOXEYJULI-OALUTQOASA-N	1	0	361.486	1.731	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)C1CCCCC1	ZINC000086446562	524389709	/nfs/dbraw/zinc/38/97/09/524389709.db2.gz	BTSYDDAXGZGJJP-OAHLLOKOSA-N	1	0	360.462	1.362	20	30		FDEDRO
C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccn(CCC#N)n2)C1	ZINC000086449859	524392335	/nfs/dbraw/zinc/39/23/35/524392335.db2.gz	NPMOKJZBLKULLG-HUUCEWRRSA-N	1	0	374.489	1.608	20	30		FDEDRO
N#Cc1ccc(NCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1	ZINC000122037422	524437660	/nfs/dbraw/zinc/43/76/60/524437660.db2.gz	SXBLDQRXUYSNGH-MOPGFXCFSA-N	1	0	356.470	1.854	20	30		FDEDRO
Cc1c(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cccc1N(C)C	ZINC000122178963	524471518	/nfs/dbraw/zinc/47/15/18/524471518.db2.gz	VHEZLNVNUUXJTQ-UHFFFAOYSA-N	1	0	359.474	1.694	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Cn3ccnc3)cc2)c1C#N	ZINC000089661822	524517968	/nfs/dbraw/zinc/51/79/68/524517968.db2.gz	VNLZPMQFXLKNMW-UHFFFAOYSA-N	1	0	363.425	1.930	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3F)C2)CC1	ZINC000151165255	524531999	/nfs/dbraw/zinc/53/19/99/524531999.db2.gz	JSFHJVOMCGIJLC-OAHLLOKOSA-N	1	0	366.462	1.098	20	30		FDEDRO
CC[NH+]=C(NC[C@H]1CN(C)CCO1)N1CCN(c2cccs2)CC1	ZINC000158895619	524549217	/nfs/dbraw/zinc/54/92/17/524549217.db2.gz	PTSPNNZJTPGNSW-HNNXBMFYSA-N	1	0	351.520	1.166	20	30		FDEDRO
Cc1cc(C)cc(OC[C@@H](O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1	ZINC000089942834	524554244	/nfs/dbraw/zinc/55/42/44/524554244.db2.gz	ZSCYPLMYMQRCHG-HNNXBMFYSA-N	1	0	357.458	1.785	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)ccc1Cl	ZINC000158975617	524565732	/nfs/dbraw/zinc/56/57/32/524565732.db2.gz	MTSFDQVLJVRHFZ-CYBMUJFWSA-N	1	0	357.863	1.337	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)cc1Cl	ZINC000159008810	524575935	/nfs/dbraw/zinc/57/59/35/524575935.db2.gz	YGPVPQMYFKGEKQ-UHFFFAOYSA-N	1	0	357.863	1.337	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)NCC2CC[NH2+]CC2)c1	ZINC000122911597	524642253	/nfs/dbraw/zinc/64/22/53/524642253.db2.gz	JDVKACJOUJSHFU-UHFFFAOYSA-N	1	0	358.261	1.599	20	30		FDEDRO
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)n1	ZINC000091222819	524668204	/nfs/dbraw/zinc/66/82/04/524668204.db2.gz	VOLDFEBHQGEMPO-CQSZACIVSA-N	1	0	358.446	1.049	20	30		FDEDRO
C#CCOc1ccc(C[NH2+]CCS(=O)(=O)N2CCSCC2)cc1	ZINC000113339513	524670683	/nfs/dbraw/zinc/67/06/83/524670683.db2.gz	FRFSZZITCXCQOC-UHFFFAOYSA-N	1	0	354.497	1.167	20	30		FDEDRO
CC[NH+]1CCC(CCNC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CC1	ZINC000091240163	524675693	/nfs/dbraw/zinc/67/56/93/524675693.db2.gz	SPKVMVQYYDXBOK-UHFFFAOYSA-N	1	0	360.462	1.512	20	30		FDEDRO
C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1	ZINC000091281939	524690332	/nfs/dbraw/zinc/69/03/32/524690332.db2.gz	XMOQAPQPCHRSTL-CQSZACIVSA-N	1	0	360.483	1.492	20	30		FDEDRO
C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C[C@@H]1CCC[C@@H]1O	ZINC000159571574	524699889	/nfs/dbraw/zinc/69/98/89/524699889.db2.gz	DJRQXQXQQRLRQA-YOEHRIQHSA-N	1	0	353.426	1.775	20	30		FDEDRO
Cc1nccn1CCC[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000091632259	524750278	/nfs/dbraw/zinc/75/02/78/524750278.db2.gz	OJGFBMAHJLIFPF-SFHVURJKSA-N	1	0	360.506	1.206	20	30		FDEDRO
C[C@H]1C[NH+](CCCNC(=O)NCCOc2ccc(C#N)cc2)C[C@H](C)O1	ZINC000174856058	524764648	/nfs/dbraw/zinc/76/46/48/524764648.db2.gz	FSBHLMCGCPWWHL-HOTGVXAUSA-N	1	0	360.458	1.736	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCn1cccn1	ZINC000123535539	524772390	/nfs/dbraw/zinc/77/23/90/524772390.db2.gz	OMGPKJADKZWLSQ-UHFFFAOYSA-N	1	0	354.458	1.918	20	30		FDEDRO
CN(C)CC[NH+]1CCC(CNC(=O)/C=C/c2ccc(OCC#N)cc2)CC1	ZINC000114382454	524783821	/nfs/dbraw/zinc/78/38/21/524783821.db2.gz	WNOORGQQBCQQLG-VMPITWQZSA-N	1	0	370.497	1.992	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)NCCN2CCC([NH+](C)C)CC2)cc1	ZINC000175240015	524915902	/nfs/dbraw/zinc/91/59/02/524915902.db2.gz	KFUUTIVJTCZGNP-UHFFFAOYSA-N	1	0	373.501	1.750	20	30		FDEDRO
N#Cc1ccc(OC2CN(C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)cc1	ZINC000152551534	524921962	/nfs/dbraw/zinc/92/19/62/524921962.db2.gz	HKFWEQANIJIDDW-WBVHZDCISA-N	1	0	356.426	1.194	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)N(C)C)oc2C)CC1	ZINC000175385921	524955455	/nfs/dbraw/zinc/95/54/55/524955455.db2.gz	PKJJVFDRCUJZCF-UHFFFAOYSA-N	1	0	369.487	1.609	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1	ZINC000115434468	524994159	/nfs/dbraw/zinc/99/41/59/524994159.db2.gz	CPQUTMPELVGMMA-OAHLLOKOSA-N	1	0	363.483	1.012	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1	ZINC000175747768	525000523	/nfs/dbraw/zinc/00/05/23/525000523.db2.gz	ZACPXYHDJCJPAC-AWEZNQCLSA-N	1	0	355.442	1.683	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCc2ccc(C#N)cc2)CC1	ZINC000152795520	525008747	/nfs/dbraw/zinc/00/87/47/525008747.db2.gz	VZZSTTIADIMEHB-SFHVURJKSA-N	1	0	354.454	1.256	20	30		FDEDRO
C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1sccc1C#N	ZINC000161001935	525013812	/nfs/dbraw/zinc/01/38/12/525013812.db2.gz	OKFRWEJGTKEGSB-INIZCTEOSA-N	1	0	370.478	1.639	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccn(CC(F)F)n2)CC1	ZINC000124648642	525041996	/nfs/dbraw/zinc/04/19/96/525041996.db2.gz	WJYLVFDGCVNVIB-UHFFFAOYSA-N	1	0	355.389	1.243	20	30		FDEDRO
C[N@H+](CCNC(=O)C(=O)Nc1ccc(C#N)cc1)Cc1ccc(F)cc1	ZINC000176334039	525086403	/nfs/dbraw/zinc/08/64/03/525086403.db2.gz	QEFQQCRDMNLJNT-UHFFFAOYSA-N	1	0	354.385	1.884	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)NCC2CC[NH+](CCO)CC2)ccc1Cl	ZINC000161420006	525105075	/nfs/dbraw/zinc/10/50/75/525105075.db2.gz	LSGGFKLBQFZUDO-UHFFFAOYSA-N	1	0	357.863	1.194	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)N(CCC#N)c1ccccc1	ZINC000153249573	525157162	/nfs/dbraw/zinc/15/71/62/525157162.db2.gz	YEJPZTDWHFFJOT-UHFFFAOYSA-N	1	0	365.441	1.675	20	30		FDEDRO
Cc1nc(SCC(=O)N2CCO[C@H](C[NH+](C)C)C2)c(C#N)c(C)c1C	ZINC000116793897	525222381	/nfs/dbraw/zinc/22/23/81/525222381.db2.gz	JHONEUMPBILUIL-OAHLLOKOSA-N	1	0	362.499	1.760	20	30		FDEDRO
CNC(=O)[C@H](C)C[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000177039743	525224140	/nfs/dbraw/zinc/22/41/40/525224140.db2.gz	YFSXVJMWTNORFM-CYBMUJFWSA-N	1	0	350.850	1.901	20	30		FDEDRO
C=CCNC(=O)CN1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1	ZINC000101562998	525232263	/nfs/dbraw/zinc/23/22/63/525232263.db2.gz	AXSIKZPIEMJLFX-MRXNPFEDSA-N	1	0	365.499	1.288	20	30		FDEDRO
C[NH+]=C(NC[C@@H](OC)c1cccc(Cl)c1)N[C@H]1CCc2ncnn2C1	ZINC000126114771	525274029	/nfs/dbraw/zinc/27/40/29/525274029.db2.gz	IEYVAIQWJKVWJQ-LSDHHAIUSA-N	1	0	362.865	1.799	20	30		FDEDRO
CSCC[C@H](C)[N@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000126327713	525299169	/nfs/dbraw/zinc/29/91/69/525299169.db2.gz	CGAPSXNDXUEDAH-ZDUSSCGKSA-N	1	0	365.503	1.577	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](CN1CCOCC1)c1ccccc1	ZINC000102700822	525300572	/nfs/dbraw/zinc/30/05/72/525300572.db2.gz	LAJAWZFYJLVUFO-ICSRJNTNSA-N	1	0	358.486	1.704	20	30		FDEDRO
Cc1cccc(C)c1-n1nnnc1CN(C)CCCc1[nH]nc(N)c1C#N	ZINC000162710509	525304126	/nfs/dbraw/zinc/30/41/26/525304126.db2.gz	BZQAPTAOPMZHGG-UHFFFAOYSA-N	1	0	365.445	1.521	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C[NH3+])CCCC)ccc1F	ZINC000162732510	525307394	/nfs/dbraw/zinc/30/73/94/525307394.db2.gz	ADRZDQOKBSCXGF-ZDUSSCGKSA-N	1	0	357.451	1.537	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000103123625	525326547	/nfs/dbraw/zinc/32/65/47/525326547.db2.gz	YRLXVUZAUWJGLO-MRXNPFEDSA-N	1	0	370.453	1.092	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N(C)CC[NH+]2CCCC2)c1	ZINC000103162214	525334898	/nfs/dbraw/zinc/33/48/98/525334898.db2.gz	QKBNMZLNOHLDNV-UHFFFAOYSA-N	1	0	351.472	1.319	20	30		FDEDRO
CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1	ZINC000163170244	525368901	/nfs/dbraw/zinc/36/89/01/525368901.db2.gz	OOTKMIUVSZCGBI-UHFFFAOYSA-N	1	0	366.368	1.652	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1	ZINC000127892055	525477329	/nfs/dbraw/zinc/47/73/29/525477329.db2.gz	VCXLUMMJGHDEMB-GOEBONIOSA-N	1	0	363.483	1.153	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1	ZINC000178867092	525495894	/nfs/dbraw/zinc/49/58/94/525495894.db2.gz	BGQPZEUSWUDLDR-CYBMUJFWSA-N	1	0	351.472	1.350	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(CCC)[C@@H]2CC[NH2+]C2)c1	ZINC000178882300	525498139	/nfs/dbraw/zinc/49/81/39/525498139.db2.gz	NZCLBAYRQZQBCS-OAHLLOKOSA-N	1	0	351.472	1.365	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CNC(=O)c2cc(C)cc(C)c2)c1C#N	ZINC000128203749	525514261	/nfs/dbraw/zinc/51/42/61/525514261.db2.gz	LCOYCWNUHGDDAJ-UHFFFAOYSA-N	1	0	368.441	1.419	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN(CC(=O)Nc1ccc(F)cc1)C(C)(C)C	ZINC000154478799	525548019	/nfs/dbraw/zinc/54/80/19/525548019.db2.gz	JJGHEIUNYRAWEE-UHFFFAOYSA-N	1	0	364.421	1.877	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1	ZINC000106079459	525567702	/nfs/dbraw/zinc/56/77/02/525567702.db2.gz	DQBQPUJXGDGDRB-MDZRGWNJSA-N	1	0	358.490	1.820	20	30		FDEDRO
CCC[C@@H]([NH3+])C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1	ZINC000154604895	525587066	/nfs/dbraw/zinc/58/70/66/525587066.db2.gz	RSERXEIWXIMQBD-FJAMSSDQSA-N	1	0	352.460	1.565	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cncc(Br)c2)CC1	ZINC000179482480	525592500	/nfs/dbraw/zinc/59/25/00/525592500.db2.gz	LCWQILRDXHGDTD-UHFFFAOYSA-N	1	0	367.247	1.549	20	30		FDEDRO
CN([C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1)S(=O)(=O)CCCC#N	ZINC000167079150	525596592	/nfs/dbraw/zinc/59/65/92/525596592.db2.gz	BORNBDHACQRQRF-ROUUACIJSA-N	1	0	370.563	1.889	20	30		FDEDRO
CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000154760980	525630434	/nfs/dbraw/zinc/63/04/34/525630434.db2.gz	UIFIGKDKADQCNE-UHFFFAOYSA-N	1	0	372.347	1.458	20	30		FDEDRO
N#C[C@H]1CN(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)CCO1	ZINC000179805380	525633008	/nfs/dbraw/zinc/63/30/08/525633008.db2.gz	LMEWXGMQHIVEMW-IBGZPJMESA-N	1	0	372.469	1.638	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000180032119	525650983	/nfs/dbraw/zinc/65/09/83/525650983.db2.gz	OLATUWBSTSNHIX-OAHLLOKOSA-N	1	0	365.499	1.814	20	30		FDEDRO
C[NH+]1CCC(N(Cc2ccco2)S(=O)(=O)c2ccc(C#N)nc2)CC1	ZINC000170658388	525665528	/nfs/dbraw/zinc/66/55/28/525665528.db2.gz	VVXISGIGWKVBIB-UHFFFAOYSA-N	1	0	360.439	1.831	20	30		FDEDRO
CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+]Cc2ccc(C#N)cc2)c1	ZINC000106246554	525684522	/nfs/dbraw/zinc/68/45/22/525684522.db2.gz	PEOIXIIWJMBAJH-ZDUSSCGKSA-N	1	0	372.450	1.583	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(C(=O)c3ccccn3)CC2)CC1	ZINC000106274901	525687151	/nfs/dbraw/zinc/68/71/51/525687151.db2.gz	VEGAYPRIXVBJNQ-UHFFFAOYSA-N	1	0	371.485	1.590	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CNC(=O)c2cc(F)cc(F)c2)CC1	ZINC000106290625	525688391	/nfs/dbraw/zinc/68/83/91/525688391.db2.gz	VQTOFMCASNLLAT-UHFFFAOYSA-N	1	0	351.397	1.851	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](O)COc2ccc(F)cc2)CC1	ZINC000106340584	525697742	/nfs/dbraw/zinc/69/77/42/525697742.db2.gz	OLBGTSOZWVWKHX-KRWDZBQOSA-N	1	0	365.449	1.905	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(N)=O)c(C)c2)CC1	ZINC000106349019	525699844	/nfs/dbraw/zinc/69/98/44/525699844.db2.gz	QXLLWYOUDLLJLX-UHFFFAOYSA-N	1	0	358.442	1.189	20	30		FDEDRO
C[NH+](C)CCNC(=O)C1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1	ZINC000180399521	525703746	/nfs/dbraw/zinc/70/37/46/525703746.db2.gz	QNHWBLIRYCZITP-UHFFFAOYSA-N	1	0	368.481	1.772	20	30		FDEDRO
N#Cc1cc(C#N)c(SCC(=O)NC2CC[NH+](C3CC3)CC2)nc1N	ZINC000119402209	525733175	/nfs/dbraw/zinc/73/31/75/525733175.db2.gz	ZGYRZRLODVFOCE-UHFFFAOYSA-N	1	0	356.455	1.242	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@H]1CCCO[C@H]1c1ccccc1	ZINC000170909134	525764276	/nfs/dbraw/zinc/76/42/76/525764276.db2.gz	RDSSRNWYAISWBJ-MOPGFXCFSA-N	1	0	360.502	1.652	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)Oc3ccc(C#N)cc3)C2)CC1	ZINC000106801978	525790253	/nfs/dbraw/zinc/79/02/53/525790253.db2.gz	DUVFMLIQFWMXAX-AEFFLSMTSA-N	1	0	356.470	1.564	20	30		FDEDRO
CC1CC[NH+](CCCCNC(=O)CNC(=O)c2ccc(C#N)cc2)CC1	ZINC000171112603	525853790	/nfs/dbraw/zinc/85/37/90/525853790.db2.gz	CMBQFLXWFRTBQB-UHFFFAOYSA-N	1	0	356.470	1.916	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)c1ccc(F)cc1	ZINC000171114245	525854065	/nfs/dbraw/zinc/85/40/65/525854065.db2.gz	SPYBFQCMXIYCCJ-GOSISDBHSA-N	1	0	368.412	1.846	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)Cc2ccc(C)cc2)CC1	ZINC000181590274	525875668	/nfs/dbraw/zinc/87/56/68/525875668.db2.gz	WDDUQGMNDUOSDZ-GOSISDBHSA-N	1	0	355.482	1.457	20	30		FDEDRO
C[C@@H](C1CC1)N(C(=O)CN1CCN(c2nccnc2C#N)C[C@@H]1C)C1CC1	ZINC000155508675	525887770	/nfs/dbraw/zinc/88/77/70/525887770.db2.gz	RASNCGYUMZVQDR-GJZGRUSLSA-N	1	0	368.485	1.648	20	30		FDEDRO
C[C@H](C(=O)N1CCCN(c2ccccc2C#N)CC1)N1CCN(C)CC1	ZINC000171255652	525919409	/nfs/dbraw/zinc/91/94/09/525919409.db2.gz	ZDEDFBYTNAHXFM-QGZVFWFLSA-N	1	0	355.486	1.233	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@@H]([NH+]3CCCCC3)C2)cc1	ZINC000108450816	525972452	/nfs/dbraw/zinc/97/24/52/525972452.db2.gz	ZYRWMWLJVWXFCS-GOSISDBHSA-N	1	0	354.454	1.765	20	30		FDEDRO
N#CCCN(CC1CC1)C(=O)C(=O)Nc1cnn(CC[NH+]2CCCCC2)c1	ZINC000132696301	525986834	/nfs/dbraw/zinc/98/68/34/525986834.db2.gz	VSIHUZGUDLXGGA-UHFFFAOYSA-N	1	0	372.473	1.460	20	30		FDEDRO
C[N@@H+]1CCC[C@H](CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000108573075	525992439	/nfs/dbraw/zinc/99/24/39/525992439.db2.gz	UWVHLHOACDHYBR-MRXNPFEDSA-N	1	0	356.474	1.563	20	30		FDEDRO
N#CCC[C@@H](NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1	ZINC000132770173	525993189	/nfs/dbraw/zinc/99/31/89/525993189.db2.gz	OCXKJWJVLLRJRB-ZWKOTPCHSA-N	1	0	371.485	1.918	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1	ZINC000120470499	526075287	/nfs/dbraw/zinc/07/52/87/526075287.db2.gz	MSVWJKGGZVBLEO-QAPCUYQASA-N	1	0	355.438	1.580	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2nnn(-c3ccc(OC)cc3)c2C)CC1	ZINC000171721054	526093448	/nfs/dbraw/zinc/09/34/48/526093448.db2.gz	XGDMJMRCQAYEKL-UHFFFAOYSA-N	1	0	355.442	1.965	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CCNS(=O)(=O)c2cccs2)CC1	ZINC000171727185	526095184	/nfs/dbraw/zinc/09/51/84/526095184.db2.gz	HLMOHLGLWBMRRG-UHFFFAOYSA-N	1	0	357.501	1.183	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCc3nccn3C(F)F)=[NH+]C[C@@H]2C1	ZINC000133936643	526108457	/nfs/dbraw/zinc/10/84/57/526108457.db2.gz	HHFXACWJBKZSCI-LLVKDONJSA-N	1	0	370.404	1.659	20	30		FDEDRO
Cc1noc(C)c1CCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000133975480	526112952	/nfs/dbraw/zinc/11/29/52/526112952.db2.gz	JNWONXDELAUYHR-CQSZACIVSA-N	1	0	363.462	1.714	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1ccc(CNC(=O)Cc2ccc(C#N)cc2)cc1	ZINC000171804698	526129122	/nfs/dbraw/zinc/12/91/22/526129122.db2.gz	VZOWPNVOJVPPFV-UHFFFAOYSA-N	1	0	364.449	1.709	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCCN(c3nccc(OCC)n3)CC2)CC1	ZINC000120699978	526155755	/nfs/dbraw/zinc/15/57/55/526155755.db2.gz	ANLPAQILIMTFIS-UHFFFAOYSA-N	1	0	371.485	1.259	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1	ZINC000120712891	526161150	/nfs/dbraw/zinc/16/11/50/526161150.db2.gz	YHVWGUIMFLPRPI-YOEHRIQHSA-N	1	0	373.428	1.719	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cc1	ZINC000109821220	526193183	/nfs/dbraw/zinc/19/31/83/526193183.db2.gz	FXPJMNDAMTUVEI-MOPGFXCFSA-N	1	0	359.470	1.485	20	30		FDEDRO
C[C@@H](O)[C@@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000183173031	535935441	/nfs/dbraw/zinc/93/54/41/535935441.db2.gz	CZRYUGHKZSGOMJ-SUMDDJOVSA-N	1	0	374.460	1.237	20	30		FDEDRO
CC[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)CC(C)(C)O	ZINC000183178850	535935884	/nfs/dbraw/zinc/93/58/84/535935884.db2.gz	QVOVOLUHMWDCTP-HNNXBMFYSA-N	1	0	364.515	1.550	20	30		FDEDRO
CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000184641680	536171988	/nfs/dbraw/zinc/17/19/88/536171988.db2.gz	AXQIJDQAKPGJCO-INIZCTEOSA-N	1	0	353.430	1.943	20	30		FDEDRO
Cc1cccc(S(=O)(=O)NC(C)(C)CCN2CC[NH+](C)CC2)c1C#N	ZINC000185439677	536208687	/nfs/dbraw/zinc/20/86/87/536208687.db2.gz	CDUWOPBDMLDYEF-UHFFFAOYSA-N	1	0	364.515	1.561	20	30		FDEDRO
COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)cc1	ZINC000185859096	536219457	/nfs/dbraw/zinc/21/94/57/536219457.db2.gz	DVXYLPHWEZHPSD-IRXDYDNUSA-N	1	0	364.467	1.946	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(N)cc1	ZINC000185919907	536221446	/nfs/dbraw/zinc/22/14/46/536221446.db2.gz	WSSUSLPOJHSFIQ-UHFFFAOYSA-N	1	0	358.467	1.893	20	30		FDEDRO
C=CC[C@H](CO)[NH2+][C@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000186720084	536242503	/nfs/dbraw/zinc/24/25/03/536242503.db2.gz	MJBQOAUONGIMEV-GDBMZVCRSA-N	1	0	354.472	1.295	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)CN(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000188304869	536289323	/nfs/dbraw/zinc/28/93/23/536289323.db2.gz	OMLMGEOMZSMGTC-GHTZIAJQSA-N	1	0	372.513	1.563	20	30		FDEDRO
[NH2+]=C(NCCOc1ccccc1Cl)N1CCN(c2ncccn2)CC1	ZINC000262803898	536905463	/nfs/dbraw/zinc/90/54/63/536905463.db2.gz	SBNJPBUEZMZCST-UHFFFAOYSA-N	1	0	360.849	1.646	20	30		FDEDRO
C[NH+]=C(NCc1c(C)nn(C)c1C)NCc1cccnc1-n1ccnc1C	ZINC000262838340	536915580	/nfs/dbraw/zinc/91/55/80/536915580.db2.gz	TUQMXGDMHLCBLE-UHFFFAOYSA-N	1	0	366.473	1.791	20	30		FDEDRO
COCC[NH+]1[C@H](C)CN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C	ZINC000246584587	536985376	/nfs/dbraw/zinc/98/53/76/536985376.db2.gz	GFORGUDGCILAQD-MDZRGWNJSA-N	1	0	356.470	1.705	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)NCC[NH+]3CCC(C)CC3)CC2)o1	ZINC000189103040	536998233	/nfs/dbraw/zinc/99/82/33/536998233.db2.gz	POWAOKCYYMYBSB-UHFFFAOYSA-N	1	0	359.474	1.919	20	30		FDEDRO
[NH2+]=C(NCc1cnn(-c2ccccc2)c1)N1CCN(c2ncccn2)CC1	ZINC000263247353	537000689	/nfs/dbraw/zinc/00/06/89/537000689.db2.gz	NJPFECQQLPFULU-UHFFFAOYSA-N	1	0	362.441	1.299	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(S(N)(=O)=O)s1)N1CCc2ccccc21	ZINC000263252647	537001672	/nfs/dbraw/zinc/00/16/72/537001672.db2.gz	PKKMLKFDZBTNOF-UHFFFAOYSA-N	1	0	364.496	1.924	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H](C)C[NH+]3CCCC3)CC2)o1	ZINC000189169246	537007226	/nfs/dbraw/zinc/00/72/26/537007226.db2.gz	YQWOESGMHVSVJL-CQSZACIVSA-N	1	0	359.474	1.919	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCC([C@H]3CCCO3)CC2)CC1	ZINC000189174662	537008259	/nfs/dbraw/zinc/00/82/59/537008259.db2.gz	WUGQKTSHBQTSLG-RTBURBONSA-N	1	0	362.518	1.570	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1	ZINC000268140517	537011667	/nfs/dbraw/zinc/01/16/67/537011667.db2.gz	KJIJACWKZMFVCZ-UXPWSPDFSA-N	1	0	367.497	1.889	20	30		FDEDRO
C[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(C#N)cc1	ZINC000263654982	537053913	/nfs/dbraw/zinc/05/39/13/537053913.db2.gz	DUNZOUMFSPBJCE-QAPCUYQASA-N	1	0	371.485	1.861	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C#N)c2)[C@@H](C)C1	ZINC000247137594	537086010	/nfs/dbraw/zinc/08/60/10/537086010.db2.gz	HOIIGYQAYKWGBO-MAUKXSAKSA-N	1	0	372.469	1.750	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C(=O)NC)C2)c(OC)c1	ZINC000247363482	537113300	/nfs/dbraw/zinc/11/33/00/537113300.db2.gz	AVCFNNSKGOLBQD-IAGOWNOFSA-N	1	0	362.470	1.621	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C[N@@H+]1C1CC1	ZINC000247509787	537127731	/nfs/dbraw/zinc/12/77/31/537127731.db2.gz	YGMOHYHMXCNAHG-RBSFLKMASA-N	1	0	369.473	1.194	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C[N@@H+]1C1CC1	ZINC000247509778	537127851	/nfs/dbraw/zinc/12/78/51/537127851.db2.gz	YGMOHYHMXCNAHG-KFWWJZLASA-N	1	0	369.473	1.194	20	30		FDEDRO
C[C@@H]1CN(C[C@H]2CCCN2C(=O)C#Cc2ccc3c(c2)OCO3)C[C@@H](C)O1	ZINC000247565743	537135452	/nfs/dbraw/zinc/13/54/52/537135452.db2.gz	RZYZUHIYCFJRJO-JFIYKMOQSA-N	1	0	370.449	1.867	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C	ZINC000247571525	537136403	/nfs/dbraw/zinc/13/64/03/537136403.db2.gz	HGPLBSODWUEJAH-STQMWFEESA-N	1	0	350.850	1.537	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NC[C@H](c1ccc(OC)cc1)N1CCOCC1	ZINC000264152101	537138768	/nfs/dbraw/zinc/13/87/68/537138768.db2.gz	ZNOFJTMWXXVCMU-RHSMWYFYSA-N	1	0	350.463	1.008	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(CCOC)Cc2ccc3c(c2)OCO3)CC1	ZINC000264710513	537147462	/nfs/dbraw/zinc/14/74/62/537147462.db2.gz	SMGRECMCSRHGJB-UHFFFAOYSA-N	1	0	358.438	1.736	20	30		FDEDRO
CN(CC[N@H+](C)C1CC1)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000190243422	537157194	/nfs/dbraw/zinc/15/71/94/537157194.db2.gz	SFOFOFKTOAIDMH-GOSISDBHSA-N	1	0	369.469	1.395	20	30		FDEDRO
COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)c2ccc(C#N)nc2)c1	ZINC000190495568	537175024	/nfs/dbraw/zinc/17/50/24/537175024.db2.gz	BSUJUWPGLLQNSC-UHFFFAOYSA-N	1	0	374.466	1.714	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)[C@H](C)[NH3+]	ZINC000192009938	537218106	/nfs/dbraw/zinc/21/81/06/537218106.db2.gz	OCIYWLLWKMVWLO-OWDYHKBKSA-N	1	0	352.460	1.421	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@H](C)CC#N)cc(N2CC[NH+](C(C)C)CC2)c1	ZINC000192174136	537221350	/nfs/dbraw/zinc/22/13/50/537221350.db2.gz	OXDSCOQHYPDHTE-MRXNPFEDSA-N	1	0	371.485	1.882	20	30		FDEDRO
N#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)nc1	ZINC000192223587	537222269	/nfs/dbraw/zinc/22/22/69/537222269.db2.gz	ZLULXTPWZPAKOQ-GOSISDBHSA-N	1	0	350.422	1.974	20	30		FDEDRO
N#C[C@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000192763296	537232713	/nfs/dbraw/zinc/23/27/13/537232713.db2.gz	YUNVWCIJJTVTSM-QWHCGFSZSA-N	1	0	352.416	1.545	20	30		FDEDRO
C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)C(=O)N(C)CCC#N	ZINC000192947719	537236718	/nfs/dbraw/zinc/23/67/18/537236718.db2.gz	LKBLQQTVNCWSRF-HUUCEWRRSA-N	1	0	350.488	1.472	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1	ZINC000193634368	537253003	/nfs/dbraw/zinc/25/30/03/537253003.db2.gz	RRLIDLFJUGXPOJ-YESZJQIVSA-N	1	0	356.470	1.824	20	30		FDEDRO
C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1sccc1C#N	ZINC000293005629	537284470	/nfs/dbraw/zinc/28/44/70/537284470.db2.gz	GOMIRIBPAHHUTA-HNNXBMFYSA-N	1	0	356.451	1.847	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1	ZINC000272511645	537290767	/nfs/dbraw/zinc/29/07/67/537290767.db2.gz	OVPXZHKTHADASO-IHRRRGAJSA-N	1	0	368.478	1.622	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H](Oc2ncccc2F)C1	ZINC000278851722	537340804	/nfs/dbraw/zinc/34/08/04/537340804.db2.gz	MBPVFMZCRWKFBJ-STQMWFEESA-N	1	0	350.394	1.464	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NC[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1	ZINC000282909811	537345874	/nfs/dbraw/zinc/34/58/74/537345874.db2.gz	GSPDRWMCVBCFOC-SJLPKXTDSA-N	1	0	361.486	1.710	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)NCCC[N@@H+](C)Cc1ccccc1	ZINC000272870715	537351881	/nfs/dbraw/zinc/35/18/81/537351881.db2.gz	SMSRWUZWFMUXDS-UHFFFAOYSA-N	1	0	353.488	1.409	20	30		FDEDRO
C[C@@H]1CN(CC[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CCO1	ZINC000283189762	537359101	/nfs/dbraw/zinc/35/91/01/537359101.db2.gz	FOCLLGCAMMNZCF-MRXNPFEDSA-N	1	0	356.470	1.929	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1	ZINC000276252385	537364297	/nfs/dbraw/zinc/36/42/97/537364297.db2.gz	ZFZQGCLQJWHWIO-ZDUSSCGKSA-N	1	0	359.401	1.543	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N(CCC[NH+](C)C)Cc1ccccc1	ZINC000283331518	537370194	/nfs/dbraw/zinc/37/01/94/537370194.db2.gz	AKDLTNJAVOQDOE-MRXNPFEDSA-N	1	0	352.504	1.777	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2ncnn2C(C)(C)C)CC1	ZINC000283838340	537388287	/nfs/dbraw/zinc/38/82/87/537388287.db2.gz	RQLOOWSQXQQLEB-UHFFFAOYSA-N	1	0	351.455	1.058	20	30		FDEDRO
COCCn1cc(CNC(=[NH2+])NCCc2ccc(OC)c(OC)c2)cn1	ZINC000283817916	537388313	/nfs/dbraw/zinc/38/83/13/537388313.db2.gz	PQFUSRHYIADPLU-UHFFFAOYSA-N	1	0	361.446	1.194	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CNC(=O)C(=O)Nc2ccc(C#N)cn2)cc1	ZINC000293205430	537390806	/nfs/dbraw/zinc/39/08/06/537390806.db2.gz	ZITLCTYNQBRAKF-UHFFFAOYSA-N	1	0	367.409	1.149	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC000290701810	537393935	/nfs/dbraw/zinc/39/39/35/537393935.db2.gz	KAGSHFYMKRTBKR-GBESFXJTSA-N	1	0	357.454	1.500	20	30		FDEDRO
COc1cc(OC)c2ncc(C#N)c(N3CC[NH+](C[C@H](C)O)CC3)c2c1	ZINC000286094644	537419724	/nfs/dbraw/zinc/41/97/24/537419724.db2.gz	APCJJUIFKNBJLP-ZDUSSCGKSA-N	1	0	356.426	1.626	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCCCc2nc(C)cs2)CC1	ZINC000286122627	537421288	/nfs/dbraw/zinc/42/12/88/537421288.db2.gz	GHKDZLOALHFKBH-UHFFFAOYSA-N	1	0	364.515	1.657	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@](C)(C(=O)OCC)c1ccccc1	ZINC000276330870	537428501	/nfs/dbraw/zinc/42/85/01/537428501.db2.gz	REWIXAOEEHDSFN-KUHUBIRLSA-N	1	0	361.442	1.497	20	30		FDEDRO
C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cnc(C(F)(F)F)c(C#N)c1	ZINC000293371050	537433904	/nfs/dbraw/zinc/43/39/04/537433904.db2.gz	CMTWLFBYHANXIC-LBPRGKRZSA-N	1	0	369.391	1.728	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccnn1-c1cccc(Cl)c1	ZINC000293435341	537458255	/nfs/dbraw/zinc/45/82/55/537458255.db2.gz	RDBXHXOSVJHTIT-UHFFFAOYSA-N	1	0	373.844	1.536	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2	ZINC000293499208	537488762	/nfs/dbraw/zinc/48/87/62/537488762.db2.gz	XAXMFOJCAZQARZ-HXUWFJFHSA-N	1	0	373.428	1.721	20	30		FDEDRO
CC(C)n1nc2c(cc1=O)C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)CC2	ZINC000365388725	537505943	/nfs/dbraw/zinc/50/59/43/537505943.db2.gz	GRHLZPAKFPVMJI-KRWDZBQOSA-N	1	0	368.437	1.494	20	30		FDEDRO
C=CCn1c(Cc2noc(CN(C)C(C)C)n2)nnc1N1CCOCC1	ZINC000273872876	537507584	/nfs/dbraw/zinc/50/75/84/537507584.db2.gz	GAEPKOIEKSDVGQ-UHFFFAOYSA-N	1	0	361.450	1.115	20	30		FDEDRO
COC(=O)c1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)no1	ZINC000281300191	537527677	/nfs/dbraw/zinc/52/76/77/537527677.db2.gz	YQTDQNKVRNDNGO-UHFFFAOYSA-N	1	0	356.382	1.537	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1	ZINC000276468839	537531570	/nfs/dbraw/zinc/53/15/70/537531570.db2.gz	RJUNIORSVHDAJT-UHFFFAOYSA-N	1	0	360.458	1.858	20	30		FDEDRO
C#CC[NH+](CC#C)CCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000299312979	537546425	/nfs/dbraw/zinc/54/64/25/537546425.db2.gz	OXOCSGJZWSIJAP-UHFFFAOYSA-N	1	0	373.478	1.368	20	30		FDEDRO
CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000291251197	537548926	/nfs/dbraw/zinc/54/89/26/537548926.db2.gz	QHQSAWHVWQTGQU-HUUCEWRRSA-N	1	0	359.478	1.297	20	30		FDEDRO
C[NH+](C)CCCNC(=O)CC1S/C(=N/c2cc(F)ccc2F)NC1=O	ZINC000288812621	537549967	/nfs/dbraw/zinc/54/99/67/537549967.db2.gz	BRYDSXAAQPVCME-CYBMUJFWSA-N	1	0	370.425	1.642	20	30		FDEDRO
CCN(CCC[NH+](CC)CC)C(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC000276510427	537561913	/nfs/dbraw/zinc/56/19/13/537561913.db2.gz	SRTKXQKAZHERPH-MSUUIHNZSA-N	1	0	365.478	1.276	20	30		FDEDRO
CN1CCC2(CCN(CCS(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O	ZINC000365707103	537580106	/nfs/dbraw/zinc/58/01/06/537580106.db2.gz	RYDGQXYETGCLJU-UHFFFAOYSA-N	1	0	361.467	1.276	20	30		FDEDRO
CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCC(=O)N(C)CCC#N)cc1	ZINC000284826603	537584319	/nfs/dbraw/zinc/58/43/19/537584319.db2.gz	RKWLIZWYZNJOFQ-CQSZACIVSA-N	1	0	351.472	1.893	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)c1	ZINC000236668033	537595402	/nfs/dbraw/zinc/59/54/02/537595402.db2.gz	YSUULJCWFUIJIZ-CQSZACIVSA-N	1	0	351.472	1.270	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)c1	ZINC000365883097	537599624	/nfs/dbraw/zinc/59/96/24/537599624.db2.gz	CVYSQSUAZFPDJO-SFHVURJKSA-N	1	0	368.481	1.092	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c1	ZINC000237091666	537611177	/nfs/dbraw/zinc/61/11/77/537611177.db2.gz	QVLJSXICSGHTDR-ZTGREVJMSA-N	1	0	364.471	1.565	20	30		FDEDRO
Cc1sc(NC(=O)CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(C#N)c1C	ZINC000363602228	537616394	/nfs/dbraw/zinc/61/63/94/537616394.db2.gz	FWYDYVURZMOQRT-JKSUJKDBSA-N	1	0	362.499	1.706	20	30		FDEDRO
C#CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)C(=O)NC(=O)NCC(F)(F)F	ZINC000285129852	537624435	/nfs/dbraw/zinc/62/44/35/537624435.db2.gz	NWKMAHBUQGDFAV-OCCSQVGLSA-N	1	0	355.360	1.987	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1	ZINC000293951380	537629809	/nfs/dbraw/zinc/62/98/09/537629809.db2.gz	KCZAIVVTZTUECJ-UHFFFAOYSA-N	1	0	371.890	1.275	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)C2)nc1	ZINC000291565216	537630936	/nfs/dbraw/zinc/63/09/36/537630936.db2.gz	CXZXXBNTSRTRCF-NVXWUHKLSA-N	1	0	355.442	1.600	20	30		FDEDRO
O=C(NC[C@@H]1CS(=O)(=O)CCO1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000329027909	537633496	/nfs/dbraw/zinc/63/34/96/537633496.db2.gz	ACONYZUONQTSHG-IAGOWNOFSA-N	1	0	366.483	1.669	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cc(C(C)(C)C)nn3C)CC2)C1=O	ZINC000329163368	537634508	/nfs/dbraw/zinc/63/45/08/537634508.db2.gz	GKBJPGJFYDOMJJ-CQSZACIVSA-N	1	0	361.490	1.717	20	30		FDEDRO
Cn1ccnc(N2CCC[C@@H](NC(=O)C[N@H+](C)[C@H]3CCSC3)C2)c1=O	ZINC000329163627	537634630	/nfs/dbraw/zinc/63/46/30/537634630.db2.gz	GKOIFDYKAZAMCF-KGLIPLIRSA-N	1	0	365.503	1.143	20	30		FDEDRO
C[C@H](OC[C@@H]1CCCO1)C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1	ZINC000329165869	537635112	/nfs/dbraw/zinc/63/51/12/537635112.db2.gz	HSTVFQJPXMDWIA-CWRNSKLLSA-N	1	0	353.463	1.222	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)c3cnn(-c4ccccc4)c3)CC2)C1=O	ZINC000329176499	537635523	/nfs/dbraw/zinc/63/55/23/537635523.db2.gz	MMCVASOWWNDKHP-SFHVURJKSA-N	1	0	367.453	1.872	20	30		FDEDRO
C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)N1CCSCC1	ZINC000329177090	537636035	/nfs/dbraw/zinc/63/60/35/537636035.db2.gz	CCJYNSRWBBRRRU-HNSVSWJLSA-N	1	0	368.547	1.464	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2CCn3c(nnc3-c3cccnc3)C2)CC1	ZINC000330227358	537652761	/nfs/dbraw/zinc/65/27/61/537652761.db2.gz	BYXBILNSFBJJFF-UHFFFAOYSA-N	1	0	369.473	1.597	20	30		FDEDRO
CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H](S(C)(=O)=O)C2)C1	ZINC000330425114	537656514	/nfs/dbraw/zinc/65/65/14/537656514.db2.gz	RXCJOMKLFDBPPA-HUUCEWRRSA-N	1	0	359.536	1.920	20	30		FDEDRO
CCCC[NH+]1CCC(NC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)CC1	ZINC000330744899	537660912	/nfs/dbraw/zinc/66/09/12/537660912.db2.gz	DNHFMRPYFKBDRI-OAHLLOKOSA-N	1	0	374.551	1.426	20	30		FDEDRO
CCCC[NH+]1CCC(NC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1	ZINC000330744898	537661035	/nfs/dbraw/zinc/66/10/35/537661035.db2.gz	DNHFMRPYFKBDRI-HNNXBMFYSA-N	1	0	374.551	1.426	20	30		FDEDRO
CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccc(S(C)(=O)=O)s2)C1	ZINC000330942925	537662579	/nfs/dbraw/zinc/66/25/79/537662579.db2.gz	DEPGYDLSRCIVJR-GFCCVEGCSA-N	1	0	359.517	1.982	20	30		FDEDRO
COc1cccc(CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)c1OC	ZINC000331017962	537664178	/nfs/dbraw/zinc/66/41/78/537664178.db2.gz	ZGTCJPBYHYZYIM-UHFFFAOYSA-N	1	0	351.447	1.506	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C2(C#N)CCOCC2)CC1	ZINC000331193172	537665241	/nfs/dbraw/zinc/66/52/41/537665241.db2.gz	RUPARASMRJYWAN-UHFFFAOYSA-N	1	0	364.490	1.050	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCCC[C@@H]2CCC[NH2+]2)cc1	ZINC000294989873	537710036	/nfs/dbraw/zinc/71/00/36/537710036.db2.gz	YWZZCTKLRJAJCM-HNNXBMFYSA-N	1	0	351.472	1.413	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CC(=O)NCc1cccc(C#N)c1	ZINC000371293902	537806157	/nfs/dbraw/zinc/80/61/57/537806157.db2.gz	IEZZQLJEKDABIW-QRVBRYPASA-N	1	0	356.470	1.358	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@H]1CO	ZINC000366701134	537825094	/nfs/dbraw/zinc/82/50/94/537825094.db2.gz	LGLLXHTXWZIQIT-BDXSIMOUSA-N	1	0	351.491	1.598	20	30		FDEDRO
N#CC1CCC(CNC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1	ZINC000418894511	537827609	/nfs/dbraw/zinc/82/76/09/537827609.db2.gz	RIMGDUQWTCIBNE-UHFFFAOYSA-N	1	0	372.513	1.702	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1F	ZINC000418892912	537827778	/nfs/dbraw/zinc/82/77/78/537827778.db2.gz	WNHSTMRKXAFAMC-KRWDZBQOSA-N	1	0	358.417	1.304	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)NCCC1=CC[NH2+]CC1	ZINC000418909389	537838107	/nfs/dbraw/zinc/83/81/07/537838107.db2.gz	ANMKKIWFESDMKX-UHFFFAOYSA-N	1	0	372.494	1.334	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)NCCSCc2ccccc2C#N)[C@@H](C)C[NH2+]1	ZINC000418925356	537850235	/nfs/dbraw/zinc/85/02/35/537850235.db2.gz	PZHQYXSRNWMTPJ-KBPBESRZSA-N	1	0	360.483	1.116	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(CCC[NH+]2CCOCC2)CC1	ZINC000409512796	537857144	/nfs/dbraw/zinc/85/71/44/537857144.db2.gz	JZGCDPKTRJXULI-MRXNPFEDSA-N	1	0	372.535	1.147	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1	ZINC000366796061	537863044	/nfs/dbraw/zinc/86/30/44/537863044.db2.gz	BVMDHEOIZPKILX-DLBZAZTESA-N	1	0	356.470	1.979	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)NCCC[N@@H+]1CCc2ccccc2C1	ZINC000409577363	537863139	/nfs/dbraw/zinc/86/31/39/537863139.db2.gz	ROEMHMZDUBTULU-INIZCTEOSA-N	1	0	364.515	1.751	20	30		FDEDRO
C[NH+](C)CC(C)(C)NS(=O)(=O)c1cccc(Br)c1C#N	ZINC000416505857	537869706	/nfs/dbraw/zinc/86/97/06/537869706.db2.gz	COMCDJVAHIYFOA-UHFFFAOYSA-N	1	0	360.277	1.939	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)NC2CCC(Oc3ccccc3C#N)CC2)CC[NH2+]1	ZINC000419037268	537905272	/nfs/dbraw/zinc/90/52/72/537905272.db2.gz	RIIYAPQDAAJJHE-OOHWJJMZSA-N	1	0	370.453	1.185	20	30		FDEDRO
C#CCCS(=O)(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000377338832	537960585	/nfs/dbraw/zinc/96/05/85/537960585.db2.gz	CACGAEFPMFSQMA-LJQANCHMSA-N	1	0	361.511	1.232	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1	ZINC000419157621	537964099	/nfs/dbraw/zinc/96/40/99/537964099.db2.gz	VJVSOXHMSAOGJF-USXIJHARSA-N	1	0	351.491	1.592	20	30		FDEDRO
C[NH2+]CCCNC(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	ZINC000415304465	537996973	/nfs/dbraw/zinc/99/69/73/537996973.db2.gz	HFHMGOOTZPICRS-UHFFFAOYSA-N	1	0	367.409	1.718	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NCC1([NH+]2CCSCC2)CCCC1	ZINC000369192794	538002183	/nfs/dbraw/zinc/00/21/83/538002183.db2.gz	IBNKOABEIDYMDA-AWEZNQCLSA-N	1	0	360.549	1.274	20	30		FDEDRO
C[C@@H](NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C#N)cc1	ZINC000417106444	538002863	/nfs/dbraw/zinc/00/28/63/538002863.db2.gz	GFYPODCCQWEYFH-IUODEOHRSA-N	1	0	369.391	1.755	20	30		FDEDRO
COC(=O)[C@@H]1CN(C(=O)Nc2cc(C)c(N(C)C)cc2C#N)CC[N@H+](C)C1	ZINC000417154558	538012612	/nfs/dbraw/zinc/01/26/12/538012612.db2.gz	KLEVTYAFGLLJHO-HNNXBMFYSA-N	1	0	373.457	1.501	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCCN(C(=O)c3ccncc3)CC2)CC1	ZINC000369369475	538017112	/nfs/dbraw/zinc/01/71/12/538017112.db2.gz	HJBYZUBNKDOSMT-UHFFFAOYSA-N	1	0	371.485	1.590	20	30		FDEDRO
C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1	ZINC000415453649	538057554	/nfs/dbraw/zinc/05/75/54/538057554.db2.gz	ZFCQEFFRBJHETC-OLZOCXBDSA-N	1	0	356.405	2.474	20	30		FDEDRO
N#Cc1cccc(OC2CCN(C(=O)C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)CC2)c1	ZINC000419903501	538139124	/nfs/dbraw/zinc/13/91/24/538139124.db2.gz	WVNVTOBOJJSPNE-HZPDHXFCSA-N	1	0	370.453	1.314	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)C[C@@]12C(=O)Nc1ccccc12	ZINC000426979979	538152671	/nfs/dbraw/zinc/15/26/71/538152671.db2.gz	HCRZBSFQZKLHQI-ASUYLVSUSA-N	1	0	350.422	1.485	20	30		FDEDRO
Cc1sc(NC(=O)CN(C)C2CC[NH+](CCO)CC2)c(C#N)c1C	ZINC000427004743	538155529	/nfs/dbraw/zinc/15/55/29/538155529.db2.gz	KRFNXHRBUMDYNC-UHFFFAOYSA-N	1	0	350.488	1.564	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCc2nnnn2CC1)C(C)C	ZINC000422160781	538172844	/nfs/dbraw/zinc/17/28/44/538172844.db2.gz	CDGXAISVLQYTPV-JKSUJKDBSA-N	1	0	361.494	1.376	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1	ZINC000420088010	538211460	/nfs/dbraw/zinc/21/14/60/538211460.db2.gz	DDFKDZNVRKVVAV-WMLDXEAASA-N	1	0	365.424	1.951	20	30		FDEDRO
N#Cc1cccc([C@@H]2CN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)CCO2)c1	ZINC000420091524	538215497	/nfs/dbraw/zinc/21/54/97/538215497.db2.gz	UVPBIBDXDRZTBR-ROUUACIJSA-N	1	0	370.453	1.092	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)cc2C1=O	ZINC000424053630	538224551	/nfs/dbraw/zinc/22/45/51/538224551.db2.gz	OYSKZXNHRRXGKF-NFAWXSAZSA-N	1	0	355.438	1.914	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC[NH2+]1	ZINC000420138790	538237820	/nfs/dbraw/zinc/23/78/20/538237820.db2.gz	XTHYKQWVHNABDA-ZBFHGGJFSA-N	1	0	370.453	1.185	20	30		FDEDRO
CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc1	ZINC000424123909	538241805	/nfs/dbraw/zinc/24/18/05/538241805.db2.gz	LEKWUBQNHKPYSP-IUODEOHRSA-N	1	0	360.414	1.328	20	30		FDEDRO
C=CCC1(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCOCC1	ZINC000424151869	538247908	/nfs/dbraw/zinc/24/79/08/538247908.db2.gz	INTCIYGOFKBSCK-IAGOWNOFSA-N	1	0	363.502	1.466	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1	ZINC000424182132	538250507	/nfs/dbraw/zinc/25/05/07/538250507.db2.gz	GHYHIIQPNKXTTF-SPYBWZPUSA-N	1	0	357.458	1.923	20	30		FDEDRO
CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000446144965	538278055	/nfs/dbraw/zinc/27/80/55/538278055.db2.gz	JNXRCLJCKVMSCE-XAUMDUMWSA-N	1	0	369.469	1.134	20	30		FDEDRO
COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)c2cccnc2C#N)c1	ZINC000428425152	538300380	/nfs/dbraw/zinc/30/03/80/538300380.db2.gz	YWJSEEFGGZTPOF-UHFFFAOYSA-N	1	0	374.466	1.714	20	30		FDEDRO
N#C[C@H]1CC[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1	ZINC000424550938	538325640	/nfs/dbraw/zinc/32/56/40/538325640.db2.gz	UHLFAFPYVYDTLL-VHSSKADRSA-N	1	0	350.422	1.764	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC2CCC([NH+](C)C)CC2)c1	ZINC000420753113	538352819	/nfs/dbraw/zinc/35/28/19/538352819.db2.gz	ZKPLQLWSBLJGJZ-UHFFFAOYSA-N	1	0	365.499	1.754	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1	ZINC000447245895	538361102	/nfs/dbraw/zinc/36/11/02/538361102.db2.gz	GRYYRIKSNAYXBN-BHYGNILZSA-N	1	0	363.483	1.350	20	30		FDEDRO
C=C(C)CS(=O)(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1	ZINC000435422722	538406017	/nfs/dbraw/zinc/40/60/17/538406017.db2.gz	POKJJBORJNHPDL-UHFFFAOYSA-N	1	0	359.536	1.308	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2CCCO)ccc1Cl	ZINC000453810923	538458360	/nfs/dbraw/zinc/45/83/60/538458360.db2.gz	YULFRFLWYVGLEF-AWEZNQCLSA-N	1	0	364.833	1.113	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cccc(C#Cc4ccccn4)c3)C[C@@H]21	ZINC000453910218	538469936	/nfs/dbraw/zinc/46/99/36/538469936.db2.gz	ARSKSXBAMLVNGW-XLIONFOSSA-N	1	0	374.444	1.582	20	30		FDEDRO
C[C@@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)c1cccc(C#N)c1	ZINC000462147360	538603329	/nfs/dbraw/zinc/60/33/29/538603329.db2.gz	UGTPONWJFNQXRB-CQSZACIVSA-N	1	0	368.441	1.175	20	30		FDEDRO
COCCOC[C@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1	ZINC000462285021	538613165	/nfs/dbraw/zinc/61/31/65/538613165.db2.gz	FKPXPYNFLBQVIM-DOTOQJQBSA-N	1	0	357.410	1.175	20	30		FDEDRO
C=CCC[C@@H](CO)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000458708722	538636306	/nfs/dbraw/zinc/63/63/06/538636306.db2.gz	HSBVZVBXBXFGPJ-RBUKOAKNSA-N	1	0	361.486	1.904	20	30		FDEDRO
CS[C@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)C[C@H]1[NH+]1CCCC1	ZINC000483394151	538698854	/nfs/dbraw/zinc/69/88/54/538698854.db2.gz	MXUSMJOWDLDCHX-SJORKVTESA-N	1	0	372.494	1.326	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	ZINC000496397026	538701949	/nfs/dbraw/zinc/70/19/49/538701949.db2.gz	VOHIHRVQNCVJEG-UHFFFAOYSA-N	1	0	352.523	1.333	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1	ZINC000459949720	538712874	/nfs/dbraw/zinc/71/28/74/538712874.db2.gz	NAFJYSPYDUMLLC-UHFFFAOYSA-N	1	0	365.518	1.762	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([NH2+][C@H]3CCCC[C@H]3N3CCOCC3)C2=O)cc1	ZINC000560704175	545585033	/nfs/dbraw/zinc/58/50/33/545585033.db2.gz	ROSUYYMXNJQKBB-SLFFLAALSA-N	1	0	368.481	1.897	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2=O)cc1	ZINC000560679108	545578695	/nfs/dbraw/zinc/57/86/95/545578695.db2.gz	XCDZAZSYZSRWTC-SFHVURJKSA-N	1	0	359.389	1.737	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)[C@@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1C#N	ZINC000473001204	538731570	/nfs/dbraw/zinc/73/15/70/538731570.db2.gz	NMIXEALNCYKVLB-IJEWVQPXSA-N	1	0	358.490	1.510	20	30		FDEDRO
C[C@H](CO)[N@@H+]1CCCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1	ZINC000468729108	538753766	/nfs/dbraw/zinc/75/37/66/538753766.db2.gz	MYAJVCCGBBWQLQ-CYBMUJFWSA-N	1	0	355.398	1.908	20	30		FDEDRO
C[C@H]1CN(C(=O)c2ncc(C#N)cc2Cl)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000497474420	538759694	/nfs/dbraw/zinc/75/96/94/538759694.db2.gz	OSBFJOFMGOLLGC-BBRMVZONSA-N	1	0	361.877	1.705	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CC[N@@H+](C2CCOCC2)C[C@H]1C	ZINC000488681035	538761472	/nfs/dbraw/zinc/76/14/72/538761472.db2.gz	ZOXJZDDGHUFTLW-GJYPPUQNSA-N	1	0	350.507	1.614	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1C#N	ZINC000489699338	538836446	/nfs/dbraw/zinc/83/64/46/538836446.db2.gz	GWHDSTFMVJCLAB-USXIJHARSA-N	1	0	364.471	1.134	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC2CC[NH+](C)CC2)cc1	ZINC000480975034	538868180	/nfs/dbraw/zinc/86/81/80/538868180.db2.gz	YACQNAXEAJBIBK-CYBMUJFWSA-N	1	0	364.471	1.836	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1	ZINC000476448872	538868706	/nfs/dbraw/zinc/86/87/06/538868706.db2.gz	VSXSQAJJXYWVPQ-QGZVFWFLSA-N	1	0	373.453	1.659	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1	ZINC000481034424	538870542	/nfs/dbraw/zinc/87/05/42/538870542.db2.gz	HNKCTBFKXIEEMT-ULQDDVLXSA-N	1	0	365.518	1.711	20	30		FDEDRO
CC(C)CN1CCO[C@@H](C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000560932693	545633550	/nfs/dbraw/zinc/63/35/50/545633550.db2.gz	LLPLMYPOXIXDPY-ICSRJNTNSA-N	1	0	361.486	1.439	20	30		FDEDRO
C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)NCCCCC#N)CC2)C[C@@H](C)O1	ZINC000561350775	545813983	/nfs/dbraw/zinc/81/39/83/545813983.db2.gz	IXDRQPRYWXAJQO-HZPDHXFCSA-N	1	0	364.490	1.144	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2C[C@@H](OCC)C2(C)C)CC1	ZINC000561414718	545838038	/nfs/dbraw/zinc/83/80/38/545838038.db2.gz	MOMUIIUKORYLFK-HZPDHXFCSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[C@H]2CCO[C@H](C)C2)CC1	ZINC000561414481	545838133	/nfs/dbraw/zinc/83/81/33/545838133.db2.gz	DJHSQZHFLPLHCL-CVEARBPZSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCC2CC(OC(C)(C)C)C2)CC1	ZINC000561414790	545838879	/nfs/dbraw/zinc/83/88/79/545838879.db2.gz	ODGUMCDDFDZXIH-UHFFFAOYSA-N	1	0	365.518	1.853	20	30		FDEDRO
N#CCCn1cc(C[N@H+]2CCC[C@]3(CNC(=O)C3)C2)c(-c2ccncc2)n1	ZINC000562427524	546137220	/nfs/dbraw/zinc/13/72/20/546137220.db2.gz	ZKOZNJCTQRLCNP-FQEVSTJZSA-N	1	0	364.453	1.961	20	30		FDEDRO
CCC[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000562813618	546280290	/nfs/dbraw/zinc/28/02/90/546280290.db2.gz	KMXURUXSNHUOIV-ZWKOTPCHSA-N	1	0	369.469	1.443	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(C#N)n2)Cc2ccccc2C1	ZINC000563809651	546692935	/nfs/dbraw/zinc/69/29/35/546692935.db2.gz	MEHHJGNYKXHJNA-UHFFFAOYSA-N	1	0	363.421	1.107	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[NH+]4CCC3CC4)C2=O)cc1	ZINC000563881261	546721168	/nfs/dbraw/zinc/72/11/68/546721168.db2.gz	ZNGNKMDRYWSXND-SFHVURJKSA-N	1	0	367.453	1.543	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C	ZINC000563979982	546763114	/nfs/dbraw/zinc/76/31/14/546763114.db2.gz	KDAPHZZGGZUHMK-DLBZAZTESA-N	1	0	353.507	1.709	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)[C@@H]1CCC[NH2+]C1	ZINC000564064398	546793159	/nfs/dbraw/zinc/79/31/59/546793159.db2.gz	QRRJLDPNEXUVJX-QXAKKESOSA-N	1	0	355.486	1.794	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C	ZINC000564095059	546805590	/nfs/dbraw/zinc/80/55/90/546805590.db2.gz	OKJJFLOAYSDHBF-NVXWUHKLSA-N	1	0	350.488	1.719	20	30		FDEDRO
COCCN(CCC1CC[NH2+]CC1)S(=O)(=O)c1ccc(C#N)cc1	ZINC000564651334	546988068	/nfs/dbraw/zinc/98/80/68/546988068.db2.gz	SHNAVTJPPUYRQI-UHFFFAOYSA-N	1	0	351.472	1.585	20	30		FDEDRO
COC(=O)C1CC[NH+](CCCNS(=O)(=O)CCC(C)(C)C#N)CC1	ZINC000564758194	547026527	/nfs/dbraw/zinc/02/65/27/547026527.db2.gz	CFLFXHDFNFCIEL-UHFFFAOYSA-N	1	0	359.492	1.121	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)cc1	ZINC000564845941	547065123	/nfs/dbraw/zinc/06/51/23/547065123.db2.gz	XZCMRJMQHUWSMW-GJZGRUSLSA-N	1	0	357.376	1.772	20	30		FDEDRO
Cc1ccc(C(=O)NCC[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)cc1	ZINC000564854852	547069146	/nfs/dbraw/zinc/06/91/46/547069146.db2.gz	BVPIFCOWCKZNAI-LJQANCHMSA-N	1	0	367.449	1.820	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)n1	ZINC000564937075	547114584	/nfs/dbraw/zinc/11/45/84/547114584.db2.gz	KCDYXJYYIGNTMD-UHFFFAOYSA-N	1	0	363.421	1.804	20	30		FDEDRO
C[N@H+](CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCSC1	ZINC000565153916	547223045	/nfs/dbraw/zinc/22/30/45/547223045.db2.gz	DSFFJCRGRHJEMR-IAGOWNOFSA-N	1	0	372.494	1.213	20	30		FDEDRO
N#Cc1cccc(NC(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1	ZINC000565357017	547318238	/nfs/dbraw/zinc/31/82/38/547318238.db2.gz	FYURYEDNWMYBTE-DOTOQJQBSA-N	1	0	355.442	1.670	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCOCC(F)(F)C(F)F)nc1	ZINC000565712267	547451416	/nfs/dbraw/zinc/45/14/16/547451416.db2.gz	TURSWBGBGWACKJ-UHFFFAOYSA-N	1	0	369.340	1.234	20	30		FDEDRO
CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cc(C)nn1CCC#N	ZINC000565852347	547507700	/nfs/dbraw/zinc/50/77/00/547507700.db2.gz	OXLTVPFYEYAFJC-UHFFFAOYSA-N	1	0	360.462	1.378	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(c2cnccc2C#N)CC1)C1=CC[N@H+](C)CC1	ZINC000565928070	547534578	/nfs/dbraw/zinc/53/45/78/547534578.db2.gz	BRJDMAJDCCTIEF-HNNXBMFYSA-N	1	0	354.458	1.435	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@@](C)(OC)C1)C(C)C	ZINC000566000501	547561256	/nfs/dbraw/zinc/56/12/56/547561256.db2.gz	FRQBAFSQVUSDIR-YLJYHZDGSA-N	1	0	365.518	1.829	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)cc1Br	ZINC000566067870	547587272	/nfs/dbraw/zinc/58/72/72/547587272.db2.gz	GRTRBEVRAULHII-LLVKDONJSA-N	1	0	372.288	1.989	20	30		FDEDRO
C[C@H]1CN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC[N@@H+](C2CC2)C1	ZINC000566544024	547800359	/nfs/dbraw/zinc/80/03/59/547800359.db2.gz	OBLWGSHAEASYTC-CQSZACIVSA-N	1	0	364.453	1.882	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@]3(CCSC3)C2)CC1	ZINC000566543862	547800384	/nfs/dbraw/zinc/80/03/84/547800384.db2.gz	GICZKAOQURHSFU-IEBWSBKVSA-N	1	0	364.559	1.898	20	30		FDEDRO
CC[C@@H]1C[N@H+](C)CCN1C(=O)CCc1c(C)nc2c(C#N)cnn2c1C	ZINC000566698828	547857129	/nfs/dbraw/zinc/85/71/29/547857129.db2.gz	SWSFTBIDEMFERL-MRXNPFEDSA-N	1	0	354.458	1.703	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(NCCOC)cc2)CC1	ZINC000566753950	547875346	/nfs/dbraw/zinc/87/53/46/547875346.db2.gz	KJOJSNPGLCFURO-UHFFFAOYSA-N	1	0	374.485	1.128	20	30		FDEDRO
O=C(NCC#Cc1cccc(F)c1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000566784551	547884090	/nfs/dbraw/zinc/88/40/90/547884090.db2.gz	JNSBEEOXPBGFEQ-RTBURBONSA-N	1	0	359.445	1.854	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N([C@@H](CN2CCOCC2)c2ccccc2)C1=O	ZINC000567131972	548006203	/nfs/dbraw/zinc/00/62/03/548006203.db2.gz	CZCRNDBNPCYIJN-SJORKVTESA-N	1	0	359.426	1.183	20	30		FDEDRO
C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000567180257	548024772	/nfs/dbraw/zinc/02/47/72/548024772.db2.gz	DIIUBXKHKYKEPZ-LBPRGKRZSA-N	1	0	363.849	1.782	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCO[C@H](C(C)(C)C)C2)CC1	ZINC000567188725	548026361	/nfs/dbraw/zinc/02/63/61/548026361.db2.gz	ZPIRNUFXLDSQLB-HOTGVXAUSA-N	1	0	351.491	1.463	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1=O	ZINC000567345672	548085908	/nfs/dbraw/zinc/08/59/08/548085908.db2.gz	PQSZGUNTUWFCJT-JKSUJKDBSA-N	1	0	350.850	1.241	20	30		FDEDRO
CN(C)Cc1cccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)c1	ZINC000567677500	548208129	/nfs/dbraw/zinc/20/81/29/548208129.db2.gz	ZKBNCYMPGMNFCH-UHFFFAOYSA-N	1	0	358.467	1.578	20	30		FDEDRO
CCS(=O)(=O)c1cccc(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c1	ZINC000567700962	548219467	/nfs/dbraw/zinc/21/94/67/548219467.db2.gz	WEFJIFYGFDIQGD-QGZVFWFLSA-N	1	0	374.462	1.881	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1	ZINC000567739184	548237577	/nfs/dbraw/zinc/23/75/77/548237577.db2.gz	DYUBQNSGSRQHSX-MRXNPFEDSA-N	1	0	357.414	1.205	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1	ZINC000568321892	548490064	/nfs/dbraw/zinc/49/00/64/548490064.db2.gz	FKUYRJTUIRFXSC-UHFFFAOYSA-N	1	0	351.422	1.165	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O	ZINC000568502140	548563257	/nfs/dbraw/zinc/56/32/57/548563257.db2.gz	MRJMGXRECFBGCY-JKSUJKDBSA-N	1	0	350.850	1.241	20	30		FDEDRO
COC[C@@]1(CNC(=O)N2CCN(c3ccccc3C#N)CC2)CCC[NH2+]1	ZINC000568856383	548706633	/nfs/dbraw/zinc/70/66/33/548706633.db2.gz	UQCXLSZUXVREJR-IBGZPJMESA-N	1	0	357.458	1.158	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2C[C@@H](C)n3ccnc32)c1	ZINC000569197163	548829123	/nfs/dbraw/zinc/82/91/23/548829123.db2.gz	BTKUPLSKQSZSMG-IUODEOHRSA-N	1	0	360.439	1.783	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCc2nc(COC)nn2C1	ZINC000569351076	548885171	/nfs/dbraw/zinc/88/51/71/548885171.db2.gz	MJHRQFINNDFDAS-DLBZAZTESA-N	1	0	372.469	1.497	20	30		FDEDRO
CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000569433580	548915132	/nfs/dbraw/zinc/91/51/32/548915132.db2.gz	QOHFISIXCQJKSP-MSOLQXFVSA-N	1	0	369.469	1.395	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C	ZINC000569680209	549006197	/nfs/dbraw/zinc/00/61/97/549006197.db2.gz	UUZIKUYTKFRRNT-INIZCTEOSA-N	1	0	367.457	2.443	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCC(=O)N2CCCCCC2)nc1	ZINC000569685971	549009085	/nfs/dbraw/zinc/00/90/85/549009085.db2.gz	BCBNKOUFPXHJQB-UHFFFAOYSA-N	1	0	364.471	1.109	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCOC3(CCOCC3)C2)cc1	ZINC000570273113	549219543	/nfs/dbraw/zinc/21/95/43/549219543.db2.gz	MYVNWOGWOWWSLJ-MRXNPFEDSA-N	1	0	364.467	1.650	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2)CC1	ZINC000570562201	549325861	/nfs/dbraw/zinc/32/58/61/549325861.db2.gz	SAJWDGCEIGLWPR-GGPKGHCWSA-N	1	0	363.550	1.530	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)ncc1C#N	ZINC000570653317	549360795	/nfs/dbraw/zinc/36/07/95/549360795.db2.gz	VEEOUIOYNKDONZ-INIZCTEOSA-N	1	0	355.442	1.677	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1	ZINC000571070117	549515567	/nfs/dbraw/zinc/51/55/67/549515567.db2.gz	GZBSAYMIMSLAPV-BBWFWOEESA-N	1	0	351.491	1.320	20	30		FDEDRO
N#Cc1cc(NC(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)ccc1F	ZINC000571146576	549541252	/nfs/dbraw/zinc/54/12/52/549541252.db2.gz	LRXVJWQHHVONDP-GUYCJALGSA-N	1	0	373.432	1.809	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[N@@H+](CCC)[C@H]1CC(=O)N(C)C1=O	ZINC000571265759	549583850	/nfs/dbraw/zinc/58/38/50/549583850.db2.gz	OFVQCTGJWBYLIX-SJORKVTESA-N	1	0	360.454	1.624	20	30		FDEDRO
N#CCC[C@@H](C#N)C[NH2+]C[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1	ZINC000571382589	549623173	/nfs/dbraw/zinc/62/31/73/549623173.db2.gz	XITQYXWBFDVYMS-ZWKOTPCHSA-N	1	0	372.444	1.876	20	30		FDEDRO
CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(C)nn1CCC#N	ZINC000571490614	549663447	/nfs/dbraw/zinc/66/34/47/549663447.db2.gz	LYZSRSKGJGOCHZ-OAHLLOKOSA-N	1	0	360.462	1.424	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1[NH2+]CCCC1(C)C	ZINC000571657294	549725702	/nfs/dbraw/zinc/72/57/02/549725702.db2.gz	QIJNUYQDFPMKKW-GOEBONIOSA-N	1	0	371.489	1.347	20	30		FDEDRO
C[C@@H]1C[C@@H](N2CCOCC2)CN1S(=O)(=O)Cc1ccc(CC#N)cc1	ZINC000572239303	549871675	/nfs/dbraw/zinc/87/16/75/549871675.db2.gz	UQJDQZTYKICQSD-CRAIPNDOSA-N	1	0	363.483	1.377	20	30		FDEDRO
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2cnc3c(C#N)cnn3c2)CC1	ZINC000572405513	549907527	/nfs/dbraw/zinc/90/75/27/549907527.db2.gz	UGTJICDOQRKCKB-IAGOWNOFSA-N	1	0	367.501	1.591	20	30		FDEDRO
C[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCC[NH2+]C1	ZINC000572499264	549929221	/nfs/dbraw/zinc/92/92/21/549929221.db2.gz	LHWZQUIAAYFGLI-QILLFSRXSA-N	1	0	369.469	1.741	20	30		FDEDRO
Cc1cn2c(n1)[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)CCC2	ZINC000572835047	550005028	/nfs/dbraw/zinc/00/50/28/550005028.db2.gz	MQGRCSJUERPWOX-HNNXBMFYSA-N	1	0	359.455	1.399	20	30		FDEDRO
CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2cnc(C#N)c(Cl)c2)CC1	ZINC000572932921	550026584	/nfs/dbraw/zinc/02/65/84/550026584.db2.gz	IZSXLADAJKEUCO-UHFFFAOYSA-N	1	0	363.849	1.878	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)c2cccc(F)c2C#N)(N2CCOCC2)CC1	ZINC000573573155	550168740	/nfs/dbraw/zinc/16/87/40/550168740.db2.gz	HACSFRVFCLUNTO-UHFFFAOYSA-N	1	0	360.433	1.224	20	30		FDEDRO
C[NH+](C)CCCOc1cnccc1CNS(=O)(=O)CC1(C#N)CCC1	ZINC000573764874	550206899	/nfs/dbraw/zinc/20/68/99/550206899.db2.gz	KMWJMXBSNBPWMS-UHFFFAOYSA-N	1	0	366.487	1.525	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccccc2N(C)C(C)C)CC1	ZINC000573828225	550218506	/nfs/dbraw/zinc/21/85/06/550218506.db2.gz	LUOWSZDRFACGBB-UHFFFAOYSA-N	1	0	372.513	1.914	20	30		FDEDRO
C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1	ZINC000574138387	550263350	/nfs/dbraw/zinc/26/33/50/550263350.db2.gz	HQXZSEINHOBJEP-HNNXBMFYSA-N	1	0	369.473	1.888	20	30		FDEDRO
CC1(C)C(=O)N[C@H]1C1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000574234688	550280277	/nfs/dbraw/zinc/28/02/77/550280277.db2.gz	QVEWCAWFTWLHQM-AEFFLSMTSA-N	1	0	357.454	1.535	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)CC1	ZINC000574605023	550340705	/nfs/dbraw/zinc/34/07/05/550340705.db2.gz	FBJBVDSZEIESQV-PWIGDYEPSA-N	1	0	356.514	1.823	20	30		FDEDRO
COC1([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CCOCC1	ZINC000574631144	550344859	/nfs/dbraw/zinc/34/48/59/550344859.db2.gz	CIJRUBVKQKMUGS-AWEZNQCLSA-N	1	0	352.456	1.506	20	30		FDEDRO
COC(=O)c1ccc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(C#N)n1	ZINC000574770232	550367374	/nfs/dbraw/zinc/36/73/74/550367374.db2.gz	HOFDVBLRIHMXOJ-MRXNPFEDSA-N	1	0	366.421	1.571	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)[C@@H]1CCN(c2sccc2C#N)C1=O	ZINC000574778903	550369468	/nfs/dbraw/zinc/36/94/68/550369468.db2.gz	SHOLTSLBTBYZJL-CQSZACIVSA-N	1	0	369.454	1.467	20	30		FDEDRO
CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1cccc(C#N)c1	ZINC000575200774	550443378	/nfs/dbraw/zinc/44/33/78/550443378.db2.gz	KCUWQDIYSBQUHZ-GOSISDBHSA-N	1	0	356.470	1.801	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)cc1	ZINC000575401282	550460099	/nfs/dbraw/zinc/46/00/99/550460099.db2.gz	QUCWQCPZPKHGDX-MSOLQXFVSA-N	1	0	365.433	1.972	20	30		FDEDRO
CN(C)C(=O)c1cccc(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)c1	ZINC000575826527	550480215	/nfs/dbraw/zinc/48/02/15/550480215.db2.gz	TZACUDCBGWPGPE-IBGZPJMESA-N	1	0	367.449	1.984	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]Cc2ccnc(N3CCOCC3)c2)cc1	ZINC000576270857	550530500	/nfs/dbraw/zinc/53/05/00/550530500.db2.gz	KQSBPVSXMQALIY-SFHVURJKSA-N	1	0	368.437	1.319	20	30		FDEDRO
CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+]CCn2cnc(C#N)n2)cc1	ZINC000576817768	550589027	/nfs/dbraw/zinc/58/90/27/550589027.db2.gz	OLAZRBIYLZDHCV-UHFFFAOYSA-N	1	0	361.471	1.511	20	30		FDEDRO
Cc1csc([C@H](C)C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)n1	ZINC000577485937	550661569	/nfs/dbraw/zinc/66/15/69/550661569.db2.gz	SMJWKDJPLYUOKG-LLVKDONJSA-N	1	0	350.469	1.885	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H](O)CCc2ccccc2)nc1	ZINC000577492543	550662376	/nfs/dbraw/zinc/66/23/76/550662376.db2.gz	KJCMFAHWSXILGF-KRWDZBQOSA-N	1	0	359.451	1.310	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1	ZINC000577701170	550684474	/nfs/dbraw/zinc/68/44/74/550684474.db2.gz	MSCPHXULOXVXBW-MOPGFXCFSA-N	1	0	359.470	1.786	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCC[C@@](C)(O)C1)C(C)C	ZINC000578148789	550733385	/nfs/dbraw/zinc/73/33/85/550733385.db2.gz	ZELZPUHUKBECDN-QFBILLFUSA-N	1	0	351.491	1.175	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCC[C@@H]2CCCC[C@@H]2O)nc1	ZINC000578192795	550737610	/nfs/dbraw/zinc/73/76/10/550737610.db2.gz	AJLKQSLZJSOAQH-HOTGVXAUSA-N	1	0	351.472	1.648	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)Nc3ccnn3CC[NH+](C)C)cc2C1=O	ZINC000578256819	550745333	/nfs/dbraw/zinc/74/53/33/550745333.db2.gz	VVLYEWFCNACXEZ-UHFFFAOYSA-N	1	0	367.409	1.479	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1	ZINC000578425554	550762089	/nfs/dbraw/zinc/76/20/89/550762089.db2.gz	MZYJSTFAMWGRFL-MSOLQXFVSA-N	1	0	358.442	1.475	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)ncc1C#N	ZINC000578642111	550786110	/nfs/dbraw/zinc/78/61/10/550786110.db2.gz	UOQVJEYEVDOHRR-UHFFFAOYSA-N	1	0	355.442	1.677	20	30		FDEDRO
C=CCn1c(-c2nnn(C)c2C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1	ZINC000578847097	550807261	/nfs/dbraw/zinc/80/72/61/550807261.db2.gz	JJILRDWTGQLGMI-UHFFFAOYSA-N	1	0	358.494	1.879	20	30		FDEDRO
CCOc1ccc(NC(=O)CC[N@H+](C)CCCc2[nH]nc(N)c2C#N)cc1	ZINC000578963389	550819598	/nfs/dbraw/zinc/81/95/98/550819598.db2.gz	DHRUEKUKARIYJD-UHFFFAOYSA-N	1	0	370.457	2.155	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000578981891	550822406	/nfs/dbraw/zinc/82/24/06/550822406.db2.gz	UJVLGBWLEDNISZ-LSDHHAIUSA-N	1	0	372.387	1.908	20	30		FDEDRO
N#CCc1cccc(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1	ZINC000579252403	550852821	/nfs/dbraw/zinc/85/28/21/550852821.db2.gz	HLYFSOOROPTPLL-AEFFLSMTSA-N	1	0	354.454	1.473	20	30		FDEDRO
Cc1noc([C@@H]2CC[C@H](C[NH2+]C[C@H](O)COc3ccc(CC#N)cc3)O2)n1	ZINC000579344893	550863022	/nfs/dbraw/zinc/86/30/22/550863022.db2.gz	LYKZYZCFCLPJKY-JQHSSLGASA-N	1	0	372.425	1.694	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1	ZINC000579425311	550871628	/nfs/dbraw/zinc/87/16/28/550871628.db2.gz	IFYZDRSZSUFFFR-HNNXBMFYSA-N	1	0	354.458	1.269	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]CCc2nnc3n2CCCCC3)cc1	ZINC000579823853	550913762	/nfs/dbraw/zinc/91/37/62/550913762.db2.gz	JIGJXIDNRMNMGG-QGZVFWFLSA-N	1	0	369.469	1.643	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)N3C[C@H]4C[NH2+]CC[C@@H]4C3)CC2)cc1	ZINC000579942130	550925996	/nfs/dbraw/zinc/92/59/96/550925996.db2.gz	BBHUAMDIYRPEJY-RTBURBONSA-N	1	0	364.449	1.242	20	30		FDEDRO
N#Cc1cccc(CCNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1	ZINC000580001922	550932906	/nfs/dbraw/zinc/93/29/06/550932906.db2.gz	AQZDLRZHVVQGEY-RBUKOAKNSA-N	1	0	356.470	1.778	20	30		FDEDRO
CC[C@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1cccc(C#N)n1)c1ccco1	ZINC000580444237	550983107	/nfs/dbraw/zinc/98/31/07/550983107.db2.gz	ZMMPZHRHJCVGGP-JSGCOSHPSA-N	1	0	355.398	1.730	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)cc1	ZINC000580533371	550991932	/nfs/dbraw/zinc/99/19/32/550991932.db2.gz	WMRLVKJOAOWQFW-ZWKOTPCHSA-N	1	0	357.454	1.775	20	30		FDEDRO
C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)[C@H]1CN(Cc2ccccc2)CCO1	ZINC000580828590	551022818	/nfs/dbraw/zinc/02/28/18/551022818.db2.gz	CTGBVHFXQXCHNC-YSIASYRMSA-N	1	0	360.502	1.072	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CCC(C(=O)NCCC[NH+](CC)CC)CC1	ZINC000581222162	551065015	/nfs/dbraw/zinc/06/50/15/551065015.db2.gz	QZLGTYJKSWELBR-IBGZPJMESA-N	1	0	353.507	1.400	20	30		FDEDRO
CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000581603485	551110181	/nfs/dbraw/zinc/11/01/81/551110181.db2.gz	YNGSBAZMOLMUMK-GJZGRUSLSA-N	1	0	370.496	1.277	20	30		FDEDRO
CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000581603484	551110406	/nfs/dbraw/zinc/11/04/06/551110406.db2.gz	YNGSBAZMOLMUMK-CABCVRRESA-N	1	0	370.496	1.277	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)C1(S(C)(=O)=O)CC1	ZINC000581662960	551118618	/nfs/dbraw/zinc/11/86/18/551118618.db2.gz	ILSMPSQCUZOHSO-ZBFHGGJFSA-N	1	0	353.484	1.710	20	30		FDEDRO
C=CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1	ZINC000581695192	551123361	/nfs/dbraw/zinc/12/33/61/551123361.db2.gz	XQRSLGOLMXASFK-QGZVFWFLSA-N	1	0	370.505	1.081	20	30		FDEDRO
C[NH+](C)CCOc1cnccc1CNC(=O)COc1ccccc1C#N	ZINC000581849281	551140426	/nfs/dbraw/zinc/14/04/26/551140426.db2.gz	JLSSFQTULQSTOJ-UHFFFAOYSA-N	1	0	354.410	1.589	20	30		FDEDRO
Cc1ccc(NC(=O)C(=O)NCC2(C#N)CC2)cc1NC(=O)CC[NH+](C)C	ZINC000581936918	551152184	/nfs/dbraw/zinc/15/21/84/551152184.db2.gz	PPHDLWICBLYVEY-UHFFFAOYSA-N	1	0	371.441	1.244	20	30		FDEDRO
CN1CC[NH2+]C[C@H]1CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1	ZINC000582051908	551168125	/nfs/dbraw/zinc/16/81/25/551168125.db2.gz	SZXKFBOEHMTDNM-ADKAHSJRSA-N	1	0	371.485	1.451	20	30		FDEDRO
COCCNc1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1	ZINC000582058391	551169801	/nfs/dbraw/zinc/16/98/01/551169801.db2.gz	ZFYOKKQRWFWBKM-UHFFFAOYSA-N	1	0	374.466	1.575	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1	ZINC000582229661	551193460	/nfs/dbraw/zinc/19/34/60/551193460.db2.gz	PNGUOPOCXVZGGD-QGZVFWFLSA-N	1	0	370.453	1.742	20	30		FDEDRO
CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCN(c2cnccc2C#N)CC1	ZINC000582462504	551227454	/nfs/dbraw/zinc/22/74/54/551227454.db2.gz	PDYZHJAMJLHBCK-INIZCTEOSA-N	1	0	358.490	1.905	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000582532074	551237286	/nfs/dbraw/zinc/23/72/86/551237286.db2.gz	YZZKROPMGRDABU-MKXGPGLRSA-N	1	0	359.470	1.512	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)C[C@@H]21	ZINC000582768345	551264274	/nfs/dbraw/zinc/26/42/74/551264274.db2.gz	FCRPJCRTDFYKJU-WBMJQRKESA-N	1	0	370.844	2.565	20	30		FDEDRO
Cc1cc(C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)nn1-c1cccc(C#N)c1	ZINC000582914994	551280833	/nfs/dbraw/zinc/28/08/33/551280833.db2.gz	KLTDHFMQHGHJJW-FQEVSTJZSA-N	1	0	365.437	1.239	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCN(C(=O)CC)C2)c(OC)c1	ZINC000583258820	551325972	/nfs/dbraw/zinc/32/59/72/551325972.db2.gz	UCOSAOXOCZQYFL-SJORKVTESA-N	1	0	362.470	1.764	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)Nc1cccc(C#N)n1	ZINC000583439867	551351812	/nfs/dbraw/zinc/35/18/12/551351812.db2.gz	XJRPIACAOKCKRS-UHFFFAOYSA-N	1	0	357.439	1.544	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000583495197	551360791	/nfs/dbraw/zinc/36/07/91/551360791.db2.gz	UOIRXFXWYSZHRI-KURKYZTESA-N	1	0	359.470	1.729	20	30		FDEDRO
C=CCCCC[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C	ZINC000583930603	551422182	/nfs/dbraw/zinc/42/21/82/551422182.db2.gz	UOOAVLGHGAOHBR-UHFFFAOYSA-N	1	0	374.528	1.657	20	30		FDEDRO
Cc1cccc(C[C@@H](CO)[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)c1	ZINC000584291855	551475921	/nfs/dbraw/zinc/47/59/21/551475921.db2.gz	KIZANRUIWPIXQD-SFHVURJKSA-N	1	0	358.463	1.834	20	30		FDEDRO
C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccc2n[nH]cc2c1	ZINC000584374461	551488139	/nfs/dbraw/zinc/48/81/39/551488139.db2.gz	HJSIQDDVPRHXPA-LBPRGKRZSA-N	1	0	355.423	1.954	20	30		FDEDRO
COCC[C@H](Cc1ccco1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000584465391	551501182	/nfs/dbraw/zinc/50/11/82/551501182.db2.gz	GHJLNXLNNPUSBC-OAHLLOKOSA-N	1	0	363.439	1.557	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1	ZINC000584828040	551555493	/nfs/dbraw/zinc/55/54/93/551555493.db2.gz	KQCWCKJTPYNFFT-MSOLQXFVSA-N	1	0	359.470	1.462	20	30		FDEDRO
CC1(C)CC(NC(=O)C(=O)NCc2ccc(C#N)cc2F)CC(C)(C)[NH2+]1	ZINC000585683011	551581090	/nfs/dbraw/zinc/58/10/90/551581090.db2.gz	YRTLXYMJEUGQHT-UHFFFAOYSA-N	1	0	360.433	1.739	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCC(c3ncc[nH]3)CC2)c(F)c1	ZINC000586858819	551626291	/nfs/dbraw/zinc/62/62/91/551626291.db2.gz	HQVXXBWULBETDN-UHFFFAOYSA-N	1	0	355.373	1.443	20	30		FDEDRO
C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)C2)CC1	ZINC000586859691	551626673	/nfs/dbraw/zinc/62/66/73/551626673.db2.gz	FGNWYVNGQCCAIU-KRWDZBQOSA-N	1	0	372.444	1.504	20	30		FDEDRO
C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)C2)CC1	ZINC000586859692	551626760	/nfs/dbraw/zinc/62/67/60/551626760.db2.gz	FGNWYVNGQCCAIU-QGZVFWFLSA-N	1	0	372.444	1.504	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC[C@@H]21	ZINC000586864973	551627891	/nfs/dbraw/zinc/62/78/91/551627891.db2.gz	VGXIGMTXSASAPG-RDJZCZTQSA-N	1	0	358.417	1.256	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(C#N)c1	ZINC000587665297	551633288	/nfs/dbraw/zinc/63/32/88/551633288.db2.gz	MZFBRFKLMFIFEO-DXJOGWAWSA-N	1	0	354.454	1.867	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)c1cccc(C#N)c1	ZINC000587664649	551633491	/nfs/dbraw/zinc/63/34/91/551633491.db2.gz	JECQLXIJZPNPRP-MAUKXSAKSA-N	1	0	368.481	1.926	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)c1cccc(C#N)c1	ZINC000587674976	551633649	/nfs/dbraw/zinc/63/36/49/551633649.db2.gz	ROROXVIXQXUVLO-HNAYVOBHSA-N	1	0	368.481	1.926	20	30		FDEDRO
CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)c1cccc(C#N)n1	ZINC000589521290	551734942	/nfs/dbraw/zinc/73/49/42/551734942.db2.gz	NFUNPLYLOFRNBZ-UHFFFAOYSA-N	1	0	363.465	1.843	20	30		FDEDRO
CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000589608805	551737749	/nfs/dbraw/zinc/73/77/49/551737749.db2.gz	FQRQOXUTIUKBCB-HNNXBMFYSA-N	1	0	358.490	1.950	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)C[N@@H+](C)[C@H]3CCSC3)CC2)c1C#N	ZINC000589652075	551740445	/nfs/dbraw/zinc/74/04/45/551740445.db2.gz	VVJOODJTRWSTGL-ZDUSSCGKSA-N	1	0	365.528	1.409	20	30		FDEDRO
COc1cc(CNC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc1C#N	ZINC000589709525	551744014	/nfs/dbraw/zinc/74/40/14/551744014.db2.gz	DOXYSRVYZDYFDZ-IRXDYDNUSA-N	1	0	358.442	1.307	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1	ZINC000589886828	551749302	/nfs/dbraw/zinc/74/93/02/551749302.db2.gz	GUBFPLBCRFGNRI-KRWDZBQOSA-N	1	0	354.458	1.269	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)c1	ZINC000590304030	551771570	/nfs/dbraw/zinc/77/15/70/551771570.db2.gz	JKVXICKJVDHPRC-LJQANCHMSA-N	1	0	356.470	1.951	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](N3CCOCC3)C2)cc1	ZINC000590610813	551798954	/nfs/dbraw/zinc/79/89/54/551798954.db2.gz	CMRRNDUMZVJQCK-RTBURBONSA-N	1	0	359.470	1.289	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)NC[C@H]2CCC[N@H+]2CCCO)cc1	ZINC000590767770	551815063	/nfs/dbraw/zinc/81/50/63/551815063.db2.gz	IOOGOWQERIMFPV-RTBURBONSA-N	1	0	356.470	1.490	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCc3ccc(C#N)c(F)c3)CC2)C1	ZINC000590947253	551828675	/nfs/dbraw/zinc/82/86/75/551828675.db2.gz	VYQFFFWEGJWFEG-KRWDZBQOSA-N	1	0	359.449	1.619	20	30		FDEDRO
COC(=O)[C@H]1CSCC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000591059497	551840482	/nfs/dbraw/zinc/84/04/82/551840482.db2.gz	BEAWTQQPBZDGNT-HZPDHXFCSA-N	1	0	364.467	1.330	20	30		FDEDRO
COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC[N@H+](C)C1	ZINC000591225138	551851889	/nfs/dbraw/zinc/85/18/89/551851889.db2.gz	JOEKSIILELZWRA-WMZOPIPTSA-N	1	0	370.453	1.090	20	30		FDEDRO
C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	ZINC000591292594	551857137	/nfs/dbraw/zinc/85/71/37/551857137.db2.gz	XLQYNFFQKHBWLK-ZDUSSCGKSA-N	1	0	365.393	1.504	20	30		FDEDRO
CC[C@H]1CN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC[C@H]1[NH3+]	ZINC000591303921	551859208	/nfs/dbraw/zinc/85/92/08/551859208.db2.gz	GNJXHQPEHGLODX-WMLDXEAASA-N	1	0	358.442	1.893	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1	ZINC000591307170	551859825	/nfs/dbraw/zinc/85/98/25/551859825.db2.gz	WKRSQFOPHCZXOC-IBGZPJMESA-N	1	0	357.458	1.655	20	30		FDEDRO
CN(C(=O)NC1CCC(Oc2ccccc2C#N)CC1)[C@H]1C[NH2+]C[C@@H]1O	ZINC000591351959	551864965	/nfs/dbraw/zinc/86/49/65/551864965.db2.gz	DJKUPWAZQCIPLK-GQGLESIBSA-N	1	0	358.442	1.222	20	30		FDEDRO
C[C@H](NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)c1cccc(C#N)c1	ZINC000591354517	551865169	/nfs/dbraw/zinc/86/51/69/551865169.db2.gz	NSHHJAUETAUXQW-MAUKXSAKSA-N	1	0	369.469	1.473	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)NC[C@@H]3CCCC[NH2+]3)C2=O)cc1	ZINC000591356557	551865702	/nfs/dbraw/zinc/86/57/02/551865702.db2.gz	ULTBJSNWKQVBSA-DOTOQJQBSA-N	1	0	355.442	1.495	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@H]3CCC[NH2+]CC3)C2=O)cc1	ZINC000591356496	551865712	/nfs/dbraw/zinc/86/57/12/551865712.db2.gz	AJGGQVWZXFMCSJ-DOTOQJQBSA-N	1	0	355.442	1.495	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NC[C@H]2CCCC[NH2+]2)CC1	ZINC000591358673	551865971	/nfs/dbraw/zinc/86/59/71/551865971.db2.gz	XEPKKHOTJMLXIL-CQSZACIVSA-N	1	0	358.446	1.397	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1	ZINC000591360464	551866093	/nfs/dbraw/zinc/86/60/93/551866093.db2.gz	YNYZYFMOBINYMJ-UONOGXRCSA-N	1	0	358.446	1.525	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1	ZINC000591360422	551866122	/nfs/dbraw/zinc/86/61/22/551866122.db2.gz	SXHKCSFZNXYLPV-UHFFFAOYSA-N	1	0	362.437	1.588	20	30		FDEDRO
CC1(CNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC[NH2+]CC1	ZINC000591360105	551866191	/nfs/dbraw/zinc/86/61/91/551866191.db2.gz	UYFPQAYRJNKZKL-UHFFFAOYSA-N	1	0	372.473	1.645	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1	ZINC000591572850	551880610	/nfs/dbraw/zinc/88/06/10/551880610.db2.gz	OVIACGNFCWVNCX-MOPGFXCFSA-N	1	0	368.481	1.755	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1	ZINC000591574882	551880657	/nfs/dbraw/zinc/88/06/57/551880657.db2.gz	FXINRUWCBVONST-QZTJIDSGSA-N	1	0	356.470	1.883	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O	ZINC000591610442	551884264	/nfs/dbraw/zinc/88/42/64/551884264.db2.gz	KVTCZJFQYNBPDX-UONOGXRCSA-N	1	0	368.359	1.948	20	30		FDEDRO
C=CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1	ZINC000591611588	551884685	/nfs/dbraw/zinc/88/46/85/551884685.db2.gz	AGAFFRSLQKCZRV-MSOLQXFVSA-N	1	0	374.533	1.574	20	30		FDEDRO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@H](CCC#N)c1ccccc1	ZINC000591957840	551920378	/nfs/dbraw/zinc/92/03/78/551920378.db2.gz	YNFSNVUHCQAFCQ-NVXWUHKLSA-N	1	0	357.458	1.793	20	30		FDEDRO
C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@](O)(CC#N)C1	ZINC000592148918	551949640	/nfs/dbraw/zinc/94/96/40/551949640.db2.gz	FFGQCGJWVDDDEL-DYESRHJHSA-N	1	0	370.497	1.506	20	30		FDEDRO
C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@](O)(CC#N)C1	ZINC000592150655	551950727	/nfs/dbraw/zinc/95/07/27/551950727.db2.gz	FXSYFMGHJXMLEZ-IMFGXOCKSA-N	1	0	356.470	1.116	20	30		FDEDRO
CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCC(=O)Nc2ccccc2C#N)C1	ZINC000592186616	551955507	/nfs/dbraw/zinc/95/55/07/551955507.db2.gz	WOGQXQOSGAYMFL-MRXNPFEDSA-N	1	0	368.359	1.887	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)NCc3ccc(C[NH3+])cc3)CC2)nc1	ZINC000592214122	551961247	/nfs/dbraw/zinc/96/12/47/551961247.db2.gz	AUCMOUFCZDHYCA-UHFFFAOYSA-N	1	0	364.453	1.880	20	30		FDEDRO
Cc1ccccc1C[N@@H+]1CCCN(C(=O)Cn2cnc(C#N)cc2=O)CC1	ZINC000592358094	551984264	/nfs/dbraw/zinc/98/42/64/551984264.db2.gz	HTUIUOKHAJXSOL-UHFFFAOYSA-N	1	0	365.437	1.158	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1C(F)(F)F	ZINC000592390476	551988258	/nfs/dbraw/zinc/98/82/58/551988258.db2.gz	WLBQMOJBUFRRBX-CYBMUJFWSA-N	1	0	359.373	1.997	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1	ZINC000592390372	551988304	/nfs/dbraw/zinc/98/83/04/551988304.db2.gz	HLCYMTALTSDMIW-JKSUJKDBSA-N	1	0	363.483	1.967	20	30		FDEDRO
C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	ZINC000592428398	551993772	/nfs/dbraw/zinc/99/37/72/551993772.db2.gz	IELDXYKFJDZASO-CHWSQXEVSA-N	1	0	367.409	1.926	20	30		FDEDRO
N#Cc1cnn2cc(C[N@H+]3CC[C@H](C(=O)NCc4ccccc4)C3)cnc12	ZINC000592523143	552004499	/nfs/dbraw/zinc/00/44/99/552004499.db2.gz	KBDVIIJEBVJPMO-KRWDZBQOSA-N	1	0	360.421	1.739	20	30		FDEDRO
C=C(C)[C@H](CO)[NH+]1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1	ZINC000593043416	552055198	/nfs/dbraw/zinc/05/51/98/552055198.db2.gz	FEUWXLJVQAXHAG-ZBFHGGJFSA-N	1	0	352.475	1.578	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NCC(=O)NC3CC3)CC2)c1	ZINC000593298049	552084954	/nfs/dbraw/zinc/08/49/54/552084954.db2.gz	YNPWCFYWYZWLHV-UHFFFAOYSA-N	1	0	355.442	1.100	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)NCC3(C#N)CCCC3)ccn2)CC1	ZINC000593302349	552085764	/nfs/dbraw/zinc/08/57/64/552085764.db2.gz	GCGKENJTXXVFAV-UHFFFAOYSA-N	1	0	356.474	1.717	20	30		FDEDRO
COc1cnc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)nc1	ZINC000593348935	552093972	/nfs/dbraw/zinc/09/39/72/552093972.db2.gz	OSYUSBKXDAOTSF-UHFFFAOYSA-N	1	0	351.410	1.751	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc4ncccn4n3)CC2)c1	ZINC000593350215	552094051	/nfs/dbraw/zinc/09/40/51/552094051.db2.gz	VFMQOTQDJVKRGI-UHFFFAOYSA-N	1	0	360.421	1.995	20	30		FDEDRO
C[C@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ncn(C)n1	ZINC000593394543	552101403	/nfs/dbraw/zinc/10/14/03/552101403.db2.gz	PVIMPLZFRMWFQZ-AWEZNQCLSA-N	1	0	367.457	1.712	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NC3COCCOC3)CC2)c1	ZINC000593409298	552104190	/nfs/dbraw/zinc/10/41/90/552104190.db2.gz	RSUGPVBLAIECPR-UHFFFAOYSA-N	1	0	358.442	1.237	20	30		FDEDRO
CC[C@@H](C#N)C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000593442275	552108807	/nfs/dbraw/zinc/10/88/07/552108807.db2.gz	QWWOMYSSRCBXSF-MSOLQXFVSA-N	1	0	355.486	1.992	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC[C@@]1(O)CCOC1	ZINC000593459752	552111814	/nfs/dbraw/zinc/11/18/14/552111814.db2.gz	YJAAUZBVLIALNF-LJQANCHMSA-N	1	0	360.458	1.173	20	30		FDEDRO
COc1ccc2ncc(C#N)c(N3CCN(CC[NH+](C)C)C(=O)C3)c2c1	ZINC000593486168	552116053	/nfs/dbraw/zinc/11/60/53/552116053.db2.gz	NZIKNQZGOVVPDG-UHFFFAOYSA-N	1	0	353.426	1.325	20	30		FDEDRO
C[C@H](O)[C@H]1CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000593514086	552120618	/nfs/dbraw/zinc/12/06/18/552120618.db2.gz	OPEJDXYDCDFYAX-YJBOKZPZSA-N	1	0	356.470	1.935	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCC[N@@H+]1CCCC[C@H]1C	ZINC000593530214	552124275	/nfs/dbraw/zinc/12/42/75/552124275.db2.gz	HETDVTJFZPWEHE-CYBMUJFWSA-N	1	0	365.455	1.498	20	30		FDEDRO
CC[NH+]1CCC(CNS(=O)(=O)c2ccc(C#N)cc2C(=O)OC)CC1	ZINC000593535814	552126168	/nfs/dbraw/zinc/12/61/68/552126168.db2.gz	QAXUCQOBAFNHGQ-UHFFFAOYSA-N	1	0	365.455	1.355	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2ccsc2C#N)CC1	ZINC000593542035	552127842	/nfs/dbraw/zinc/12/78/42/552127842.db2.gz	DJWJKEXQHFZVKW-CQSZACIVSA-N	1	0	368.528	1.410	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NCCC[NH2+]C3CC3)CC2)c1	ZINC000593712130	552180169	/nfs/dbraw/zinc/18/01/69/552180169.db2.gz	ZNXGKLWDILNPEG-UHFFFAOYSA-N	1	0	355.486	1.964	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)NCc2ccc(C[NH3+])cc2F)CC1	ZINC000593723152	552183169	/nfs/dbraw/zinc/18/31/69/552183169.db2.gz	QQTWJPMUZSXWBQ-UHFFFAOYSA-N	1	0	368.416	1.583	20	30		FDEDRO
CC(C)(C#N)c1ccc(S(=O)(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1	ZINC000593732365	552186058	/nfs/dbraw/zinc/18/60/58/552186058.db2.gz	MGSCTYSODUFJSM-MRXNPFEDSA-N	1	0	362.499	1.156	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)CCCNC(=O)C3CC3)CC2)c1	ZINC000593882795	552216489	/nfs/dbraw/zinc/21/64/89/552216489.db2.gz	LWLFQWPTHPPSPH-UHFFFAOYSA-N	1	0	368.481	1.945	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1	ZINC000593908281	552223348	/nfs/dbraw/zinc/22/33/48/552223348.db2.gz	JUMRAJRWWDEYAV-AEFFLSMTSA-N	1	0	373.453	1.691	20	30		FDEDRO
CCC(CC)NC(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593925566	552227130	/nfs/dbraw/zinc/22/71/30/552227130.db2.gz	GRVBMXXPOFBCHK-UHFFFAOYSA-N	1	0	356.470	1.944	20	30		FDEDRO
CC1(C)C(=O)N[C@@H]1C1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000593993508	552235952	/nfs/dbraw/zinc/23/59/52/552235952.db2.gz	USGQNYIWGUEZSB-IEBWSBKVSA-N	1	0	371.481	1.729	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000594027063	552240674	/nfs/dbraw/zinc/24/06/74/552240674.db2.gz	LBEDMYGSPCVANE-IXDOHACOSA-N	1	0	372.469	1.081	20	30		FDEDRO
CC[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)[C@H]1CCCCO1	ZINC000594041923	552242847	/nfs/dbraw/zinc/24/28/47/552242847.db2.gz	KNASNQODQMTMDO-OKZBNKHCSA-N	1	0	350.507	1.616	20	30		FDEDRO
N#Cc1ccc2c(c1)CN(C(=O)NC1CC[NH+]([C@H]3CCC[C@H]3O)CC1)C2	ZINC000594231621	552268152	/nfs/dbraw/zinc/26/81/52/552268152.db2.gz	RJBKEYILWCKHOX-RBUKOAKNSA-N	1	0	354.454	1.961	20	30		FDEDRO
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1	ZINC000594255996	552271745	/nfs/dbraw/zinc/27/17/45/552271745.db2.gz	KUKDGJLPHCIUHR-OTVXOJSOSA-N	1	0	372.473	1.595	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12	ZINC000594326217	552288791	/nfs/dbraw/zinc/28/87/91/552288791.db2.gz	OCTLPAJXNNWKTK-HOCLYGCPSA-N	1	0	356.426	1.638	20	30		FDEDRO
COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)[C@H]([NH3+])CCCCC#N	ZINC000594431037	552308487	/nfs/dbraw/zinc/30/84/87/552308487.db2.gz	GLVQDFHIFSHYKO-OAHLLOKOSA-N	1	0	374.441	1.517	20	30		FDEDRO
COc1cccc(C(=O)N2CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC2)c1	ZINC000594429275	552308661	/nfs/dbraw/zinc/30/86/61/552308661.db2.gz	SBPVFAFJPPXBHY-KRWDZBQOSA-N	1	0	358.442	1.391	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1	ZINC000594430278	552308895	/nfs/dbraw/zinc/30/88/95/552308895.db2.gz	YKIGCWBXTCGJJG-CQSZACIVSA-N	1	0	372.878	1.146	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1	ZINC000594432079	552309184	/nfs/dbraw/zinc/30/91/84/552309184.db2.gz	XEKBOZUFYNQNPY-QZTJIDSGSA-N	1	0	372.469	1.623	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)NCc1ccc(Cn2ccccc2=O)cc1	ZINC000594432195	552309434	/nfs/dbraw/zinc/30/94/34/552309434.db2.gz	ZLROMYOEOHLVFF-SFHVURJKSA-N	1	0	352.438	1.924	20	30		FDEDRO
COc1cc(CN2CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC2)cc(OC)c1	ZINC000594438832	552310639	/nfs/dbraw/zinc/31/06/39/552310639.db2.gz	MIIJRGZMSHOIMH-IBGZPJMESA-N	1	0	374.485	1.759	20	30		FDEDRO
CN1CCN(C(=O)Cc2ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc2)CC1	ZINC000594440686	552310899	/nfs/dbraw/zinc/31/08/99/552310899.db2.gz	HTUIOGTVKBXEOH-GOSISDBHSA-N	1	0	371.485	1.353	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1	ZINC000594446187	552312087	/nfs/dbraw/zinc/31/20/87/552312087.db2.gz	QFEAJMGWBFZQTK-MRXNPFEDSA-N	1	0	362.861	1.922	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1	ZINC000594445770	552312109	/nfs/dbraw/zinc/31/21/09/552312109.db2.gz	LQEPVRAVLIMSTE-VSZNYVQBSA-N	1	0	354.454	1.671	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000594626854	552344877	/nfs/dbraw/zinc/34/48/77/552344877.db2.gz	TZMVTCLUXYAMCZ-QZTJIDSGSA-N	1	0	354.454	1.650	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]Cc2cnc(C(F)(F)F)nc2)cc1	ZINC000594717922	552363056	/nfs/dbraw/zinc/36/30/56/552363056.db2.gz	HZUSXNFGOFQVSB-ZDUSSCGKSA-N	1	0	352.316	1.897	20	30		FDEDRO
N#CCCn1cc(C[NH2+]C[C@@]2(OCCO)CCOC2)c(-c2ccccc2)n1	ZINC000594973521	552429347	/nfs/dbraw/zinc/42/93/47/552429347.db2.gz	DXRFKXHQMFLATJ-FQEVSTJZSA-N	1	0	370.453	1.721	20	30		FDEDRO
C[C@]1(C#N)CCN(C(=O)C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1	ZINC000595146643	552467352	/nfs/dbraw/zinc/46/73/52/552467352.db2.gz	FKJYNHLPRJLCOL-HXUWFJFHSA-N	1	0	360.502	1.863	20	30		FDEDRO
C[C@@]1(C#N)CCN(C(=O)C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1	ZINC000595167362	552475069	/nfs/dbraw/zinc/47/50/69/552475069.db2.gz	AFMITZCVAMKUGD-FQEVSTJZSA-N	1	0	360.502	1.863	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C	ZINC000595169811	552475656	/nfs/dbraw/zinc/47/56/56/552475656.db2.gz	YCOUGAOXVSZWKA-CVEARBPZSA-N	1	0	353.532	1.886	20	30		FDEDRO
CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[C@@](C)(C#N)C3)c2)CC1	ZINC000595207480	552490531	/nfs/dbraw/zinc/49/05/31/552490531.db2.gz	MBNQHABECYPIEI-FQEVSTJZSA-N	1	0	369.469	1.529	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)c(F)c1	ZINC000595229848	552498999	/nfs/dbraw/zinc/49/89/99/552498999.db2.gz	POQARXDLJOJTEC-UHFFFAOYSA-N	1	0	358.417	1.874	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1C#N	ZINC000595237402	552501501	/nfs/dbraw/zinc/50/15/01/552501501.db2.gz	YCIFXKDPNBSNOW-HNNXBMFYSA-N	1	0	358.442	1.374	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CCO1	ZINC000595237197	552501566	/nfs/dbraw/zinc/50/15/66/552501566.db2.gz	VKODUPULCVEAAR-HNNXBMFYSA-N	1	0	362.405	1.205	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1C#N	ZINC000595242189	552503639	/nfs/dbraw/zinc/50/36/39/552503639.db2.gz	JCBKRRQYSUPVDV-CABCVRRESA-N	1	0	357.414	1.121	20	30		FDEDRO
CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000595280426	552511385	/nfs/dbraw/zinc/51/13/85/552511385.db2.gz	BMZHXXXEIYYWKW-GOSISDBHSA-N	1	0	372.469	1.418	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000595285044	552511928	/nfs/dbraw/zinc/51/19/28/552511928.db2.gz	ZJLMAHMQZXTXMH-HRCADAONSA-N	1	0	369.531	1.157	20	30		FDEDRO
COC(=O)CCN1CC[C@@H]([N@@H+]2CCCN(c3ccccc3C#N)CC2)C1=O	ZINC000595297051	552515385	/nfs/dbraw/zinc/51/53/85/552515385.db2.gz	JNHDKPWXXHXJJE-GOSISDBHSA-N	1	0	370.453	1.234	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000595403416	552551045	/nfs/dbraw/zinc/55/10/45/552551045.db2.gz	FCFWCRXCESXLFY-OAHLLOKOSA-N	1	0	367.471	1.298	20	30		FDEDRO
C[NH+](C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)c1ccccc1C#N	ZINC000595404371	552551641	/nfs/dbraw/zinc/55/16/41/552551641.db2.gz	XAGVRQHDIVONIW-MRXNPFEDSA-N	1	0	363.483	1.822	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2F)CCO1	ZINC000595404960	552551768	/nfs/dbraw/zinc/55/17/68/552551768.db2.gz	PPMWJEYLFUXWME-AWEZNQCLSA-N	1	0	355.435	1.429	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CC[C@](C)(C#N)C2)c1	ZINC000595486754	552570918	/nfs/dbraw/zinc/57/09/18/552570918.db2.gz	CLNNLLZBYSZJEP-LJQANCHMSA-N	1	0	357.458	1.423	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC2(C#N)CCCCC2)CC1	ZINC000595502748	552573745	/nfs/dbraw/zinc/57/37/45/552573745.db2.gz	NFAZSAIQDDPCDA-UHFFFAOYSA-N	1	0	363.506	1.702	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@@]3(CC[N@H+](C)C3)C2)CC1	ZINC000595505440	552574514	/nfs/dbraw/zinc/57/45/14/552574514.db2.gz	UGQZAICUWLTGEL-QUCCMNQESA-N	1	0	361.534	1.096	20	30		FDEDRO
CC(C)C[NH2+]C1(CO)CCN(CCC(=O)Nc2ccccc2C#N)CC1	ZINC000595513048	552576293	/nfs/dbraw/zinc/57/62/93/552576293.db2.gz	RRMJFLOJVJFOEC-UHFFFAOYSA-N	1	0	358.486	1.959	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)C[NH2+]C1(CC(=O)OC(C)(C)C)CCOCC1	ZINC000595546693	552581721	/nfs/dbraw/zinc/58/17/21/552581721.db2.gz	MHVMRQQYMJSUQS-SFHVURJKSA-N	1	0	367.490	1.911	20	30		FDEDRO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H](Cn2ccnn2)C1	ZINC000595608319	552592130	/nfs/dbraw/zinc/59/21/30/552592130.db2.gz	NRRSYTOZBNFPSA-ISXWCOSWSA-N	1	0	358.490	1.919	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000595664031	552599631	/nfs/dbraw/zinc/59/96/31/552599631.db2.gz	WQIMLGUQESPPJE-INIZCTEOSA-N	1	0	356.474	1.658	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)NC[C@H]3CC[N@@H+]3C(C)(C)C)CC2)c1C#N	ZINC000595665984	552600535	/nfs/dbraw/zinc/60/05/35/552600535.db2.gz	ZQQFRZVGFGDRPG-OAHLLOKOSA-N	1	0	373.505	1.305	20	30		FDEDRO
Cn1cc(C[C@H]2CCC[C@H]2[NH2+]CC(=O)NCc2cccc(C#N)c2)cn1	ZINC000595768712	552613244	/nfs/dbraw/zinc/61/32/44/552613244.db2.gz	GMMGMJSWLOGLSR-RTBURBONSA-N	1	0	351.454	1.909	20	30		FDEDRO
N#Cc1cccc(C2([NH2+]C[C@@H](O)COC[C@H]3CCCO3)CCOCC2)c1	ZINC000595772554	552613552	/nfs/dbraw/zinc/61/35/52/552613552.db2.gz	IOVKLIFVAXQHHG-RTBURBONSA-N	1	0	360.454	1.710	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@@H]1C[C@H](O)C12CCC2	ZINC000595779331	552614123	/nfs/dbraw/zinc/61/41/23/552614123.db2.gz	CQDMRPSRVLXYPS-CVEARBPZSA-N	1	0	351.410	1.576	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1	ZINC000595862429	552624931	/nfs/dbraw/zinc/62/49/31/552624931.db2.gz	BNBVWPQHQUZZEN-RBUKOAKNSA-N	1	0	359.470	1.023	20	30		FDEDRO
CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCN(c2ccsc2C#N)CC1	ZINC000595936505	552635584	/nfs/dbraw/zinc/63/55/84/552635584.db2.gz	ASUZETBXJXNELB-CRFBAAHOSA-N	1	0	374.510	1.801	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1	ZINC000595942487	552636428	/nfs/dbraw/zinc/63/64/28/552636428.db2.gz	ILKRATSOKVBXDO-HZPDHXFCSA-N	1	0	364.471	1.440	20	30		FDEDRO
C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@H](C)Oc2ccccc2C#N)CC1	ZINC000595979894	552640952	/nfs/dbraw/zinc/64/09/52/552640952.db2.gz	GIBQCFDWZPYTLN-HNNXBMFYSA-N	1	0	372.469	1.432	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1nc2ncccc2cc1C#N	ZINC000596109762	552655902	/nfs/dbraw/zinc/65/59/02/552655902.db2.gz	ILNOVKZJKQFIOK-INIZCTEOSA-N	1	0	352.442	1.856	20	30		FDEDRO
Cc1cc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc(C#N)c1[N+](=O)[O-]	ZINC000596170145	552661740	/nfs/dbraw/zinc/66/17/40/552661740.db2.gz	WZUPSIWDCRPINU-INIZCTEOSA-N	1	0	357.414	1.518	20	30		FDEDRO
CCc1nc(C#N)cc(N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1	ZINC000596209789	552664902	/nfs/dbraw/zinc/66/49/02/552664902.db2.gz	RDGJSINWURNVJW-HXUWFJFHSA-N	1	0	351.454	1.984	20	30		FDEDRO
COC[C@@H](Cn1c2c(cc(C#N)c1=O)C[N@@H+](Cc1ccccc1)CC2)OC	ZINC000596318194	552674141	/nfs/dbraw/zinc/67/41/41/552674141.db2.gz	ZIOUFQAYQMBHIK-LJQANCHMSA-N	1	0	367.449	1.940	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC000596583649	552691609	/nfs/dbraw/zinc/69/16/09/552691609.db2.gz	YJEHYOCBYQNMMR-PKOBYXMFSA-N	1	0	354.454	1.786	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC000596583647	552691715	/nfs/dbraw/zinc/69/17/15/552691715.db2.gz	YJEHYOCBYQNMMR-IEBWSBKVSA-N	1	0	354.454	1.786	20	30		FDEDRO
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCc1ccc(C#N)c(Cl)c1	ZINC000596594283	552692541	/nfs/dbraw/zinc/69/25/41/552692541.db2.gz	JWQADXOYMKEINV-UHFFFAOYSA-N	1	0	365.865	1.373	20	30		FDEDRO
N#CC1(CC(=O)NCc2ccc(CN3CCOCC3)cc2)CCOCC1	ZINC000596682292	552700882	/nfs/dbraw/zinc/70/08/82/552700882.db2.gz	ZYUGVCQESBKNIC-UHFFFAOYSA-N	1	0	357.454	1.845	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C	ZINC000596837814	552716351	/nfs/dbraw/zinc/71/63/51/552716351.db2.gz	YHEYZTQXOPZHHK-OAHLLOKOSA-N	1	0	367.457	2.442	20	30		FDEDRO
C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1	ZINC000597184122	552758744	/nfs/dbraw/zinc/75/87/44/552758744.db2.gz	GVJDEAXCXKSBQY-HOTGVXAUSA-N	1	0	356.470	1.972	20	30		FDEDRO
CCN1CC[NH+](CCCCNC(=O)c2cc(F)c(C#N)c(F)c2)CC1	ZINC000597222457	552762721	/nfs/dbraw/zinc/76/27/21/552762721.db2.gz	CTLGBOMVHCQCRO-UHFFFAOYSA-N	1	0	350.413	1.984	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(C#N)c1	ZINC000597253674	552765704	/nfs/dbraw/zinc/76/57/04/552765704.db2.gz	HNGXKQRXTKHTME-KBXCAEBGSA-N	1	0	370.453	1.105	20	30		FDEDRO
C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1	ZINC000597255565	552765906	/nfs/dbraw/zinc/76/59/06/552765906.db2.gz	OYKXDLHVZYKKIZ-CVEARBPZSA-N	1	0	356.470	1.972	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1	ZINC000597303059	552772165	/nfs/dbraw/zinc/77/21/65/552772165.db2.gz	DIPPXZZFSUEZJZ-IAGOWNOFSA-N	1	0	361.511	1.974	20	30		FDEDRO
C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC(C)(C)CC#N)C1	ZINC000597341320	552777259	/nfs/dbraw/zinc/77/72/59/552777259.db2.gz	CZCVOHQWHFFNSP-SFHVURJKSA-N	1	0	370.497	1.818	20	30		FDEDRO
N#CCCCCNC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1	ZINC000597433353	552788492	/nfs/dbraw/zinc/78/84/92/552788492.db2.gz	IGTPKAFYTCYJQC-OAHLLOKOSA-N	1	0	359.478	1.402	20	30		FDEDRO
Cc1cc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)nn1-c1cccc(C#N)c1	ZINC000597574006	552806932	/nfs/dbraw/zinc/80/69/32/552806932.db2.gz	LGUOXVSIDKISJP-FQEVSTJZSA-N	1	0	367.453	1.581	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](C(=O)NC[C@@H]3C[N@@H+]4CCN3CCC4)C2)c(F)c1	ZINC000597624969	552813980	/nfs/dbraw/zinc/81/39/80/552813980.db2.gz	MXOKSAAYFAHMRE-IAGOWNOFSA-N	1	0	371.460	1.030	20	30		FDEDRO
CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)CCCC#N	ZINC000597653508	552817985	/nfs/dbraw/zinc/81/79/85/552817985.db2.gz	KHKUFWRATCOTPJ-UHFFFAOYSA-N	1	0	356.426	1.367	20	30		FDEDRO
Cc1cc(C(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@H]([NH+](C)C)C2)ncc1C#N	ZINC000597693262	552822680	/nfs/dbraw/zinc/82/26/80/552822680.db2.gz	UGVOFXMPNRXSHQ-WMZOPIPTSA-N	1	0	371.485	1.569	20	30		FDEDRO
C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1	ZINC000597699630	552823914	/nfs/dbraw/zinc/82/39/14/552823914.db2.gz	LAXFNHMKNVAANE-WMLDXEAASA-N	1	0	363.483	1.929	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CCCc4nn[nH]c43)CC2)c1	ZINC000597818441	552836045	/nfs/dbraw/zinc/83/60/45/552836045.db2.gz	BAMLBIQTWHVLNP-QGZVFWFLSA-N	1	0	364.453	1.877	20	30		FDEDRO
CN1C(=O)CC[C@@H]1CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000597817830	552836271	/nfs/dbraw/zinc/83/62/71/552836271.db2.gz	BGGRPTOOEKMLNB-GOSISDBHSA-N	1	0	354.454	1.650	20	30		FDEDRO
C[NH+](C)CCn1ccc(C(=O)N2CCN(c3ccsc3C#N)CC2)n1	ZINC000597941073	552848413	/nfs/dbraw/zinc/84/84/13/552848413.db2.gz	FUYIQDSQXSHPJK-UHFFFAOYSA-N	1	0	358.471	1.340	20	30		FDEDRO
CN(CCC[NH+](C)C)CCNC(=O)c1cc(-c2cccc(C#N)c2)no1	ZINC000597990236	552853180	/nfs/dbraw/zinc/85/31/80/552853180.db2.gz	SOWNHQZDEZCNAF-UHFFFAOYSA-N	1	0	355.442	1.827	20	30		FDEDRO
CN(CC1C[NH+](C)C1)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1	ZINC000598155894	552869818	/nfs/dbraw/zinc/86/98/18/552869818.db2.gz	ARMINEXJSXZZOV-AWEZNQCLSA-N	1	0	360.845	1.585	20	30		FDEDRO
Cc1c(C(=O)N2CC[C@@](C)(C#N)C2)nnn1-c1cccc2c1CC[N@@H+](C)C2	ZINC000598412383	552893380	/nfs/dbraw/zinc/89/33/80/552893380.db2.gz	NDZRWKGKUBVHLA-FQEVSTJZSA-N	1	0	364.453	1.939	20	30		FDEDRO
N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1	ZINC000598451063	552896748	/nfs/dbraw/zinc/89/67/48/552896748.db2.gz	MTYYJMXJFOXTHU-HKUYNNGSSA-N	1	0	352.438	1.298	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)CN1CC[NH+](CCCOCC(F)(F)F)CC1	ZINC000598587984	552911967	/nfs/dbraw/zinc/91/19/67/552911967.db2.gz	YJASCQNWNVQTTF-AWEZNQCLSA-N	1	0	351.413	1.874	20	30		FDEDRO
C[C@H](C(=O)NC1CCCC1)N1CCN(C[C@@H](O)CC(C)(C)C#N)CC1	ZINC000598588818	552912344	/nfs/dbraw/zinc/91/23/44/552912344.db2.gz	CNRRRSCUCFDCTP-WBVHZDCISA-N	1	0	350.507	1.352	20	30		FDEDRO
CCc1cnc(CN(C(C)=O)[C@@H]2CC[N@H+](C[C@@H](O)CC(C)(C)C#N)C2)o1	ZINC000598596519	552913226	/nfs/dbraw/zinc/91/32/26/552913226.db2.gz	SIGSSKWNWTZSPV-CVEARBPZSA-N	1	0	362.474	1.961	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1	ZINC000598719066	552928068	/nfs/dbraw/zinc/92/80/68/552928068.db2.gz	FQTFGMPUIYHITD-ZWKOTPCHSA-N	1	0	359.470	1.986	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1	ZINC000598728049	552928502	/nfs/dbraw/zinc/92/85/02/552928502.db2.gz	NBGRKEICMHANII-LSDHHAIUSA-N	1	0	351.472	1.340	20	30		FDEDRO
CCOCCn1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cn1	ZINC000598893770	552940334	/nfs/dbraw/zinc/94/03/34/552940334.db2.gz	FBHXZWOQANKTPR-UHFFFAOYSA-N	1	0	369.469	1.995	20	30		FDEDRO
C[C@H]1CC[C@H](NS(=O)(=O)c2cccc(Br)c2C#N)C[NH2+]1	ZINC000599106605	552968560	/nfs/dbraw/zinc/96/85/60/552968560.db2.gz	WQEKWHPYLQIOFU-UWVGGRQHSA-N	1	0	358.261	1.740	20	30		FDEDRO
Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCCOCCC[NH3+]	ZINC000599110273	552969196	/nfs/dbraw/zinc/96/91/96/552969196.db2.gz	OGCLMJJXZMCNDA-UHFFFAOYSA-N	1	0	353.469	1.725	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]1CCCC[N@H+](C)C1	ZINC000599156684	552976117	/nfs/dbraw/zinc/97/61/17/552976117.db2.gz	IIQHXIUKPIETNC-CVEARBPZSA-N	1	0	371.489	1.300	20	30		FDEDRO
C=CCn1c(-c2cn[nH]c2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1	ZINC000599216587	552989285	/nfs/dbraw/zinc/98/92/85/552989285.db2.gz	VHRLXIZGPPEVDR-QGZVFWFLSA-N	1	0	370.505	1.459	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)[C@H]1COC(C)(C)C1	ZINC000599220488	552991406	/nfs/dbraw/zinc/99/14/06/552991406.db2.gz	WCIKAPIFPPMJQD-QGZVFWFLSA-N	1	0	365.499	1.819	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCOCC1	ZINC000599265534	553008494	/nfs/dbraw/zinc/00/84/94/553008494.db2.gz	XNCLSDDTSNNRBE-SFHVURJKSA-N	1	0	374.441	1.788	20	30		FDEDRO
C[C@@H](CS(C)(=O)=O)N(C[C@H](O)COc1ccccc1C#N)C1CC1	ZINC000599292868	553017922	/nfs/dbraw/zinc/01/79/22/553017922.db2.gz	JCZNTQMQAGLDRD-BBRMVZONSA-N	1	0	352.456	1.195	20	30		FDEDRO
CCOc1cccc(N2CC[NH+](C[C@H](O)CC3(C#N)CCOCC3)CC2)n1	ZINC000599297195	553018656	/nfs/dbraw/zinc/01/86/56/553018656.db2.gz	SZFNVXSMFJSRGF-QGZVFWFLSA-N	1	0	374.485	1.674	20	30		FDEDRO
CS[C@@H]1CN(CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H]1[NH+](C)C	ZINC000599337966	553031284	/nfs/dbraw/zinc/03/12/84/553031284.db2.gz	NMQDSTZWLPERTC-DLBZAZTESA-N	1	0	357.479	1.263	20	30		FDEDRO
C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1cn(-c2ccccc2)nn1	ZINC000599370830	553038566	/nfs/dbraw/zinc/03/85/66/553038566.db2.gz	LSPYDEZWUJXVDW-NVXWUHKLSA-N	1	0	355.442	1.989	20	30		FDEDRO
CCOC(=O)[C@@]1(COC)CCC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000599397518	553045382	/nfs/dbraw/zinc/04/53/82/553045382.db2.gz	PXJKZXPYNYLECE-APWZRJJASA-N	1	0	368.474	1.349	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1	ZINC000599398393	553045877	/nfs/dbraw/zinc/04/58/77/553045877.db2.gz	WXNOSNMZVKWPRI-SFHVURJKSA-N	1	0	354.454	1.650	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([NH2+][C@@H]3CCO[C@H]3c3ccc(=O)[nH]c3)C2=O)cc1	ZINC000599627977	553107425	/nfs/dbraw/zinc/10/74/25/553107425.db2.gz	ABOMXYARLWUKRA-AOIWGVFYSA-N	1	0	364.405	1.884	20	30		FDEDRO
CNS(=O)(=O)C[C@@H]1CCC[N@H+](CCOc2ccc(C#N)cc2OC)C1	ZINC000599692948	553123510	/nfs/dbraw/zinc/12/35/10/553123510.db2.gz	LPSHVZLEBLACNG-OAHLLOKOSA-N	1	0	367.471	1.207	20	30		FDEDRO
N#Cc1ccc(Oc2ccc(NC(=O)NCC[N@H+]3CC[C@H](O)C3)cn2)cc1	ZINC000599719747	553129649	/nfs/dbraw/zinc/12/96/49/553129649.db2.gz	VBCYPHIBGMOITP-INIZCTEOSA-N	1	0	367.409	1.934	20	30		FDEDRO
CCC1([NH+]2CCOCC2)CCN(C(=O)N=c2cc(C)n(CCC#N)[nH]2)CC1	ZINC000599764244	553141158	/nfs/dbraw/zinc/14/11/58/553141158.db2.gz	CUCOHWVZZLSNQA-UHFFFAOYSA-N	1	0	374.489	2.214	20	30		FDEDRO
CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000599895433	553169919	/nfs/dbraw/zinc/16/99/19/553169919.db2.gz	CYDHJBOHIWNAAA-WDEREUQCSA-N	1	0	352.341	1.355	20	30		FDEDRO
C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[NH2+]1	ZINC000599895812	553170372	/nfs/dbraw/zinc/17/03/72/553170372.db2.gz	LERRIRUKTOEAAO-JOYOIKCWSA-N	1	0	354.332	1.772	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(F)c1	ZINC000599899935	553171051	/nfs/dbraw/zinc/17/10/51/553171051.db2.gz	NIRFEBPEPMYSEF-QWRGUYRKSA-N	1	0	372.322	1.622	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1C#N	ZINC000599900436	553171269	/nfs/dbraw/zinc/17/12/69/553171269.db2.gz	PZRSZRJGIZSKFC-WCQYABFASA-N	1	0	368.359	1.791	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](C)C)c(F)cc1C#N	ZINC000599936953	553177966	/nfs/dbraw/zinc/17/79/66/553177966.db2.gz	QVWMGUPIJKSZLU-CYBMUJFWSA-N	1	0	364.421	1.737	20	30		FDEDRO
N#Cc1cc(Br)ccc1C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1	ZINC000599940136	553179912	/nfs/dbraw/zinc/17/99/12/553179912.db2.gz	LNNWELLWNQEXQS-KBPBESRZSA-N	1	0	364.243	1.602	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c(F)cc1C#N	ZINC000599940333	553179996	/nfs/dbraw/zinc/17/99/96/553179996.db2.gz	LRODMSWEIOYFMU-CQSZACIVSA-N	1	0	374.416	1.731	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c(F)cc1C#N	ZINC000599968676	553188811	/nfs/dbraw/zinc/18/88/11/553188811.db2.gz	MERAPJPTCQHOQZ-CQSZACIVSA-N	1	0	374.416	1.731	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c(F)cc1C#N	ZINC000599973134	553189769	/nfs/dbraw/zinc/18/97/69/553189769.db2.gz	QEEIACNECOCQAP-NHYWBVRUSA-N	1	0	362.405	1.443	20	30		FDEDRO
N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC([NH+]3CCOCC3)CC2)cc1	ZINC000600106685	553219376	/nfs/dbraw/zinc/21/93/76/553219376.db2.gz	GHJCONOQDUWMLN-SFHVURJKSA-N	1	0	352.438	1.564	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H](CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000600313432	553247787	/nfs/dbraw/zinc/24/77/87/553247787.db2.gz	WZGYNSJJECMCKV-AWEZNQCLSA-N	1	0	352.442	1.788	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]CC1(N2CCCC2)CCOCC1	ZINC000600723550	553307488	/nfs/dbraw/zinc/30/74/88/553307488.db2.gz	WFTOZOHJODAULA-GOSISDBHSA-N	1	0	359.470	1.533	20	30		FDEDRO
COc1ccc2c(c1)nc(C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)n2C	ZINC000600734345	553308820	/nfs/dbraw/zinc/30/88/20/553308820.db2.gz	IRXWTOSURWUBJQ-CQSZACIVSA-N	1	0	358.442	1.743	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]C[C@@H](O)COc2ccc(F)cc2)CCOCC1	ZINC000600745525	553310188	/nfs/dbraw/zinc/31/01/88/553310188.db2.gz	RJPBVATXWHCLGW-HZPDHXFCSA-N	1	0	352.406	1.226	20	30		FDEDRO
Cc1cccc(OC[C@H](O)C[NH2+]C[C@H](O)COc2ccccc2C#N)c1	ZINC000600744959	553310473	/nfs/dbraw/zinc/31/04/73/553310473.db2.gz	QJSGCTRNENSCDS-MSOLQXFVSA-N	1	0	356.422	1.636	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]C[C@H](CO)Cc2ccncc2Cl)CCOCC1	ZINC000600749643	553310802	/nfs/dbraw/zinc/31/08/02/553310802.db2.gz	QULWQWPKXDWPCC-GDBMZVCRSA-N	1	0	367.877	1.547	20	30		FDEDRO
N#CC1(C[NH2+]C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CCCCC1	ZINC000600752232	553311281	/nfs/dbraw/zinc/31/12/81/553311281.db2.gz	CQXNEESRZYZGFQ-INIZCTEOSA-N	1	0	356.426	1.928	20	30		FDEDRO
CN1C(=O)c2ccccc2[C@@H]1C[NH2+]C[C@H](O)COc1ccc(C#N)cc1	ZINC000600754765	553311631	/nfs/dbraw/zinc/31/16/31/553311631.db2.gz	HZROLPSCHOMDBP-KXBFYZLASA-N	1	0	351.406	1.714	20	30		FDEDRO
C[NH2+]C1(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCC1	ZINC000600824790	553319331	/nfs/dbraw/zinc/31/93/31/553319331.db2.gz	PMOAOQPLCAGJST-OAHLLOKOSA-N	1	0	369.425	1.022	20	30		FDEDRO
N#Cc1cccnc1-n1cc(CN2CCC([NH2+]C3CCOCC3)CC2)nn1	ZINC000600976347	553333970	/nfs/dbraw/zinc/33/39/70/553333970.db2.gz	OJRNDSMZMUZRNW-UHFFFAOYSA-N	1	0	367.457	1.267	20	30		FDEDRO
C[NH+](C)CCn1cc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cn1	ZINC000601029003	553341222	/nfs/dbraw/zinc/34/12/22/553341222.db2.gz	FBYHVFQFMHCDLK-UHFFFAOYSA-N	1	0	370.432	1.418	20	30		FDEDRO
N#CCc1ccccc1S(=O)(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1	ZINC000601344761	553380690	/nfs/dbraw/zinc/38/06/90/553380690.db2.gz	DJOPIDNGQCWDKN-QGZVFWFLSA-N	1	0	363.483	1.532	20	30		FDEDRO
Cc1cc(F)cc(C#N)c1S(=O)(=O)NCCCC[N@@H+]1CCC[C@@H]1CO	ZINC000601354547	553383586	/nfs/dbraw/zinc/38/35/86/553383586.db2.gz	RNTVJSVKUAKFSH-MRXNPFEDSA-N	1	0	369.462	1.521	20	30		FDEDRO
Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC(OCC[NH+](C)C)CC1	ZINC000601355913	553383789	/nfs/dbraw/zinc/38/37/89/553383789.db2.gz	BAWBXAAIRWZUOL-UHFFFAOYSA-N	1	0	369.462	1.737	20	30		FDEDRO
CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2ccccc2CC#N)CC1	ZINC000601356517	553384109	/nfs/dbraw/zinc/38/41/09/553384109.db2.gz	BFWYHHWJSKHWPE-MRXNPFEDSA-N	1	0	364.515	1.305	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNS(=O)(=O)c2ccccc2CC#N)ccn1	ZINC000601382388	553390145	/nfs/dbraw/zinc/39/01/45/553390145.db2.gz	WIQYOMVGQRNHQJ-UHFFFAOYSA-N	1	0	374.466	1.567	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N2CCC([N@@H+]3CCCOCC3)CC2)cc1C#N	ZINC000601439661	553405948	/nfs/dbraw/zinc/40/59/48/553405948.db2.gz	IBYPKWZYVWYNDE-UHFFFAOYSA-N	1	0	364.471	1.137	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1	ZINC000601451412	553409175	/nfs/dbraw/zinc/40/91/75/553409175.db2.gz	BHKKGBYTBOBFEC-QGZVFWFLSA-N	1	0	364.534	1.333	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCCN(c2cc[nH+]cc2)CC1	ZINC000601515751	553425512	/nfs/dbraw/zinc/42/55/12/553425512.db2.gz	BHWUPWLZVKNNOD-HNNXBMFYSA-N	1	0	351.476	1.320	20	30		FDEDRO
Cc1cccc(C[N@H+]2CC[C@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C2)c1	ZINC000601523060	553428018	/nfs/dbraw/zinc/42/80/18/553428018.db2.gz	OBQIUDZSKTYCSB-WBVHZDCISA-N	1	0	350.488	1.638	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(CCC#N)CC1)[N@@H+]1CCc2ccccc2C1	ZINC000601554370	553434803	/nfs/dbraw/zinc/43/48/03/553434803.db2.gz	WJVLDABIGLYFQS-QGZVFWFLSA-N	1	0	355.486	1.674	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2C[C@@H]3COC[C@@H]3C2)CC1	ZINC000601973232	553497814	/nfs/dbraw/zinc/49/78/14/553497814.db2.gz	MQZZYEDNAUTUNP-OWCLPIDISA-N	1	0	360.483	1.035	20	30		FDEDRO
N#Cc1cc(F)cc(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1	ZINC000602041358	553506459	/nfs/dbraw/zinc/50/64/59/553506459.db2.gz	JSNHPRCVBPDBDE-CQSZACIVSA-N	1	0	374.416	1.207	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1	ZINC000602051189	553508418	/nfs/dbraw/zinc/50/84/18/553508418.db2.gz	BXHHTVLBPMWVFF-UHFFFAOYSA-N	1	0	369.425	1.797	20	30		FDEDRO
C[NH+](C)CCn1c2cc(C(=O)N[C@]3(C#N)CCSC3)ccc2[nH]c1=O	ZINC000602086230	553516495	/nfs/dbraw/zinc/51/64/95/553516495.db2.gz	NHWVPDBOXHXLKW-KRWDZBQOSA-N	1	0	359.455	1.433	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1	ZINC000602541569	553602072	/nfs/dbraw/zinc/60/20/72/553602072.db2.gz	QFQMTXPMOUFVSO-STQMWFEESA-N	1	0	371.359	1.931	20	30		FDEDRO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1	ZINC000602570725	553607071	/nfs/dbraw/zinc/60/70/71/553607071.db2.gz	IDXYIFUMJZCAOP-UONOGXRCSA-N	1	0	372.512	1.571	20	30		FDEDRO
N#CCc1cccc2c1CCN(C(=O)c1cn(C[C@H]3CCC[NH2+]3)nn1)C2	ZINC000602574757	553607340	/nfs/dbraw/zinc/60/73/40/553607340.db2.gz	ZHKXUICKMRWEQB-MRXNPFEDSA-N	1	0	350.426	1.295	20	30		FDEDRO
CC(C)(O)C[NH+]1CCC(N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000602630246	553614435	/nfs/dbraw/zinc/61/44/35/553614435.db2.gz	LVPPLLVDMCZDEJ-IBGZPJMESA-N	1	0	370.497	1.484	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(c2ccc3nncn3n2)C1	ZINC000602723641	553627882	/nfs/dbraw/zinc/62/78/82/553627882.db2.gz	ORCJWCNEAJHOKV-CABCVRRESA-N	1	0	355.446	1.392	20	30		FDEDRO
COc1ccccc1C[C@](C)(CO)[NH2+]Cc1cnc2c(C#N)cnn2c1	ZINC000602738837	553629739	/nfs/dbraw/zinc/62/97/39/553629739.db2.gz	CAQNHGXUKFXYHQ-LJQANCHMSA-N	1	0	351.410	1.693	20	30		FDEDRO
CCOCc1ccc(CNC(=O)CN2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1	ZINC000602865646	553654567	/nfs/dbraw/zinc/65/45/67/553654567.db2.gz	UKJFVJJAWMDHLI-CALCHBBNSA-N	1	0	358.486	1.757	20	30		FDEDRO
C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCN(C)C[C@@H]1CO	ZINC000602904674	553665183	/nfs/dbraw/zinc/66/51/83/553665183.db2.gz	JNMWZUAJJDRBDM-LSDHHAIUSA-N	1	0	362.499	1.485	20	30		FDEDRO
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@H](O)C[C@]1(C)CO	ZINC000602907959	553666260	/nfs/dbraw/zinc/66/62/60/553666260.db2.gz	NXWPXNMAQZPIFR-HBUWYVDXSA-N	1	0	363.483	1.837	20	30		FDEDRO
C[NH+](C)C[C@H]1COC2(CCCC2)CN1CC(=O)NCc1ccc(C#N)cc1	ZINC000602912303	553667509	/nfs/dbraw/zinc/66/75/09/553667509.db2.gz	IPWKVBRTQAMQCQ-IBGZPJMESA-N	1	0	370.497	1.750	20	30		FDEDRO
C[NH+](C)C[C@@H]1COC2(CCCC2)CN1CC(=O)N(CCC#N)CCC#N	ZINC000602915550	553668663	/nfs/dbraw/zinc/66/86/63/553668663.db2.gz	YTPFKURLWOWOTL-QGZVFWFLSA-N	1	0	361.490	1.218	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@](COC)(C(=O)OC(C)(C)C)C1	ZINC000602959885	553680430	/nfs/dbraw/zinc/68/04/30/553680430.db2.gz	BPODYSCLSLQITH-SCLBCKFNSA-N	1	0	369.462	1.067	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(CCO)(CCO)CC3)C2=O)cc1	ZINC000602966703	553682433	/nfs/dbraw/zinc/68/24/33/553682433.db2.gz	OVVNADGZZZOULA-GOSISDBHSA-N	1	0	357.454	1.511	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)CC1	ZINC000602997736	553688863	/nfs/dbraw/zinc/68/88/63/553688863.db2.gz	PQWGDFJNLHBUON-RDGPPVDQSA-N	1	0	362.518	1.304	20	30		FDEDRO
C[C@H]1CN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C[C@H](C)N1CC#N	ZINC000603082678	553706500	/nfs/dbraw/zinc/70/65/00/553706500.db2.gz	HJEZEVFQXXFUCQ-GJZGRUSLSA-N	1	0	359.478	1.600	20	30		FDEDRO
C[NH+](C)Cc1ccnc(NC(=O)N2CCN(c3ncccc3C#N)CC2)c1	ZINC000603148469	553715790	/nfs/dbraw/zinc/71/57/90/553715790.db2.gz	MMZPCDNTRDSPOK-UHFFFAOYSA-N	1	0	365.441	1.764	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1	ZINC000603156955	553717729	/nfs/dbraw/zinc/71/77/29/553717729.db2.gz	NQDJCNUCBHXOJQ-VQIMIIECSA-N	1	0	356.470	1.564	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)Cn1cc(CC[NH+]2CCCCC2)nn1	ZINC000603263939	553747099	/nfs/dbraw/zinc/74/70/99/553747099.db2.gz	IYWIVVNSCAEESR-GOSISDBHSA-N	1	0	355.442	1.618	20	30		FDEDRO
COC(=O)c1cc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ncn1	ZINC000603275621	553750586	/nfs/dbraw/zinc/75/05/86/553750586.db2.gz	ZPLYDXLHKIMDJE-UHFFFAOYSA-N	1	0	351.410	1.847	20	30		FDEDRO
N#Cc1cc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ncc1Br	ZINC000603290763	553756197	/nfs/dbraw/zinc/75/61/97/553756197.db2.gz	WWMSRICDSJLBIM-UONOGXRCSA-N	1	0	351.248	1.751	20	30		FDEDRO
CCC[N@H+](C)C[C@H]1CCN(c2ccc(C#N)cc2CS(N)(=O)=O)C1	ZINC000603303748	553759596	/nfs/dbraw/zinc/75/95/96/553759596.db2.gz	RMBLHXDIUOIJIY-OAHLLOKOSA-N	1	0	350.488	1.515	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2c(C#N)cnn2-c2ccccc2)CC1	ZINC000603313847	553762591	/nfs/dbraw/zinc/76/25/91/553762591.db2.gz	HFKJYSVBBANTBK-GOSISDBHSA-N	1	0	364.453	1.487	20	30		FDEDRO
C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1ccc(C#N)cc1CS(N)(=O)=O	ZINC000603365154	553772715	/nfs/dbraw/zinc/77/27/15/553772715.db2.gz	YDGLXPKBDSPACI-INIZCTEOSA-N	1	0	350.488	1.879	20	30		FDEDRO
N#Cc1cccc(CC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)c1	ZINC000603409535	553781655	/nfs/dbraw/zinc/78/16/55/553781655.db2.gz	NFQJCPRASNUHHB-LJQANCHMSA-N	1	0	356.470	1.014	20	30		FDEDRO
N#Cc1cccc([N+](=O)[O-])c1N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000603422778	553784913	/nfs/dbraw/zinc/78/49/13/553784913.db2.gz	IRFNRHHEXJDPPD-MRXNPFEDSA-N	1	0	359.430	1.675	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1	ZINC000603848399	553820675	/nfs/dbraw/zinc/82/06/75/553820675.db2.gz	RTOCXBGZHBXTFF-FPOVZHCZSA-N	1	0	373.497	1.679	20	30		FDEDRO
COCC(=O)NC1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1	ZINC000603882250	553823383	/nfs/dbraw/zinc/82/33/83/553823383.db2.gz	JGZQBBMUDSEISG-UHFFFAOYSA-N	1	0	350.444	1.175	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCNC(=O)[C@@H]1C(C)C)C(C)C	ZINC000604173110	553849229	/nfs/dbraw/zinc/84/92/29/553849229.db2.gz	AADVPYPJBAJVQG-IRXDYDNUSA-N	1	0	350.507	1.851	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCC2)cc1	ZINC000606010058	554034826	/nfs/dbraw/zinc/03/48/26/554034826.db2.gz	BTRGZEGYNWWFOE-CQSZACIVSA-N	1	0	373.457	1.533	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC000609077564	554336193	/nfs/dbraw/zinc/33/61/93/554336193.db2.gz	FFOQKJZKWFFLRF-GDBMZVCRSA-N	1	0	358.442	1.029	20	30		FDEDRO
CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)N1CCO[C@@H](C#N)C1	ZINC000609282930	554359247	/nfs/dbraw/zinc/35/92/47/554359247.db2.gz	HKXKNKGRHXAHIV-HNNXBMFYSA-N	1	0	374.441	1.097	20	30		FDEDRO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1	ZINC000609311718	554363359	/nfs/dbraw/zinc/36/33/59/554363359.db2.gz	TYPSJFOMYCVQID-QFBILLFUSA-N	1	0	358.486	1.714	20	30		FDEDRO
CCCC[N@H+](C)CCNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000609573331	554395385	/nfs/dbraw/zinc/39/53/85/554395385.db2.gz	VCZNAPXAIPQZMH-UHFFFAOYSA-N	1	0	374.489	1.987	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(CCC(=O)Nc3cccc(C#N)c3)CC2)C1	ZINC000609672684	554410091	/nfs/dbraw/zinc/41/00/91/554410091.db2.gz	KDKLUPXXIZPEDT-IBGZPJMESA-N	1	0	355.486	1.599	20	30		FDEDRO
C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cccc(C#N)c1	ZINC000610350682	554494572	/nfs/dbraw/zinc/49/45/72/554494572.db2.gz	VRIABVFXZUDPCW-YOEHRIQHSA-N	1	0	357.458	1.506	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@@H](C(=O)OC(C)(C)C)C2)CC1	ZINC000610459334	554511548	/nfs/dbraw/zinc/51/15/48/554511548.db2.gz	LXFZOTMJERLMCH-MRXNPFEDSA-N	1	0	367.490	1.779	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cnn(CC[NH+](C)C)c1	ZINC000610478135	554516081	/nfs/dbraw/zinc/51/60/81/554516081.db2.gz	NLDPFTHKXIMNNS-UHFFFAOYSA-N	1	0	370.457	1.997	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)C1CC[NH+](C)CC1	ZINC000610684736	554549721	/nfs/dbraw/zinc/54/97/21/554549721.db2.gz	NGORSESHJWGKHA-CABCVRRESA-N	1	0	371.489	1.299	20	30		FDEDRO
CC[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1OCC(=O)NC	ZINC000611379673	554629992	/nfs/dbraw/zinc/62/99/92/554629992.db2.gz	AIUASMBFIMSOAU-JXFKEZNVSA-N	1	0	374.485	1.907	20	30		FDEDRO
N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCNS(=O)(=O)Cc1ccon1	ZINC000611393811	554630418	/nfs/dbraw/zinc/63/04/18/554630418.db2.gz	MMPQEIPSZWURLF-KRWDZBQOSA-N	1	0	360.439	1.633	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000611993019	554716271	/nfs/dbraw/zinc/71/62/71/554716271.db2.gz	UWLACAJBJORJQG-RDJZCZTQSA-N	1	0	374.460	1.751	20	30		FDEDRO
N#Cc1ncn(CC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1	ZINC000612358302	554766893	/nfs/dbraw/zinc/76/68/93/554766893.db2.gz	RNNZDUMXWVOLDL-FGTMMUONSA-N	1	0	364.453	1.567	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1	ZINC000612723195	554830317	/nfs/dbraw/zinc/83/03/17/554830317.db2.gz	MRNZIVAYBLSJIK-LJQANCHMSA-N	1	0	372.513	1.343	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCOC3(CCOCC3)CC2)cc1	ZINC000613587921	554941952	/nfs/dbraw/zinc/94/19/52/554941952.db2.gz	SGHIHAREEVBZOG-SFHVURJKSA-N	1	0	360.454	1.764	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000615225587	555174799	/nfs/dbraw/zinc/17/47/99/555174799.db2.gz	GFADYVIWHYBYQG-FUHIMQAGSA-N	1	0	367.534	1.909	20	30		FDEDRO
COCCOc1ccc([C@@H](C)[NH2+]CC(=O)NC2(C#N)CCC2)cc1OC	ZINC000615229102	555175677	/nfs/dbraw/zinc/17/56/77/555175677.db2.gz	IBEVWXXBCGZBFN-CQSZACIVSA-N	1	0	361.442	1.933	20	30		FDEDRO
COC1CC[NH+](CCNC(=O)Nc2ncccc2OCCCC#N)CC1	ZINC000615555439	555213592	/nfs/dbraw/zinc/21/35/92/555213592.db2.gz	KQAHAINGSSQXDS-UHFFFAOYSA-N	1	0	361.446	1.996	20	30		FDEDRO
C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(S(=O)(=O)CC2(C#N)CCC2)CC1	ZINC000616175631	555278615	/nfs/dbraw/zinc/27/86/15/555278615.db2.gz	VGKBGGLAARZOFE-IRXDYDNUSA-N	1	0	368.547	1.500	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(CC)[C@@H]2CC[N@H+](C)C2)c1	ZINC000617560212	555468001	/nfs/dbraw/zinc/46/80/01/555468001.db2.gz	JUMJMSDKXPZBQV-OAHLLOKOSA-N	1	0	351.472	1.317	20	30		FDEDRO
C[C@@H](CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21)C[NH+]1CCN(C)CC1	ZINC000618815580	555681058	/nfs/dbraw/zinc/68/10/58/555681058.db2.gz	JTGMXLUYCVBMTQ-HNAYVOBHSA-N	1	0	355.486	1.728	20	30		FDEDRO
C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CCc2cc(C#N)ccc21	ZINC000618852170	555688821	/nfs/dbraw/zinc/68/88/21/555688821.db2.gz	SHDRHAZROKVSLT-KXBFYZLASA-N	1	0	355.486	1.871	20	30		FDEDRO
C[C@H](NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)C1CC[NH+](C)CC1	ZINC000619076406	555721650	/nfs/dbraw/zinc/72/16/50/555721650.db2.gz	BBGHQOYWCJAHMT-ZDUSSCGKSA-N	1	0	359.474	1.900	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3cccc(CC#N)c3)C2)CC1	ZINC000619482539	555784734	/nfs/dbraw/zinc/78/47/34/555784734.db2.gz	OVRVMICWBPXTFQ-QGZVFWFLSA-N	1	0	362.499	1.153	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)CC(=O)NCC23CCC[NH+]2CCC3)cc1	ZINC000619574065	555801550	/nfs/dbraw/zinc/80/15/50/555801550.db2.gz	MMSMYWFHNNWBRZ-UHFFFAOYSA-N	1	0	361.467	1.218	20	30		FDEDRO
C[C@@H](C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1)n1cnc(C#N)n1	ZINC000619611601	555809311	/nfs/dbraw/zinc/80/93/11/555809311.db2.gz	OJWZYYDBNJINQH-HNNXBMFYSA-N	1	0	364.453	1.760	20	30		FDEDRO
COc1cc(C[NH2+][C@H]2CCCN(Cc3nccn3C)C2=O)ccc1C#N	ZINC000619654651	555818314	/nfs/dbraw/zinc/81/83/14/555818314.db2.gz	JLJLPNNYBVGOEX-INIZCTEOSA-N	1	0	353.426	1.581	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc1	ZINC000619781914	555833217	/nfs/dbraw/zinc/83/32/17/555833217.db2.gz	DHRYREADSJHWTK-IAGOWNOFSA-N	1	0	367.453	1.744	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1Cl	ZINC000619826734	555840933	/nfs/dbraw/zinc/84/09/33/555840933.db2.gz	HYJROZHIONBBTL-IRXDYDNUSA-N	1	0	362.861	1.952	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@H](C)[C@H](CO)C1)C(C)C	ZINC000621748998	556148136	/nfs/dbraw/zinc/14/81/36/556148136.db2.gz	PTYKQAJGJARTND-OKZBNKHCSA-N	1	0	365.518	1.278	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1	ZINC000625468378	556816553	/nfs/dbraw/zinc/81/65/53/556816553.db2.gz	WSJBIWFKXWCQFI-UHFFFAOYSA-N	1	0	360.458	1.457	20	30		FDEDRO
C[NH2+]CCOCCNC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1	ZINC000626869645	557206094	/nfs/dbraw/zinc/20/60/94/557206094.db2.gz	JKUBWDRNRHDNCU-UHFFFAOYSA-N	1	0	371.462	1.439	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@H]1COCC[NH2+]1	ZINC000627474142	557415204	/nfs/dbraw/zinc/41/52/04/557415204.db2.gz	GWKWOSHTHSDLRT-NSHDSACASA-N	1	0	357.863	1.021	20	30		FDEDRO
C=CCc1cc(C[NH+]2CCC(n3cc(C(N)=O)nn3)CC2)cc(OC)c1O	ZINC000628425546	557632967	/nfs/dbraw/zinc/63/29/67/557632967.db2.gz	OJMANIBPPSNJCS-UHFFFAOYSA-N	1	0	371.441	1.657	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)c1	ZINC000631978404	558077775	/nfs/dbraw/zinc/07/77/75/558077775.db2.gz	ANVYUUZPDGBYOB-OAHLLOKOSA-N	1	0	365.499	1.659	20	30		FDEDRO
C=CCOc1cccc(NS(=O)(=O)CCCN2CC[NH+](C)CC2)c1	ZINC000632182894	558111717	/nfs/dbraw/zinc/11/17/17/558111717.db2.gz	ATEBTXPNLDOBHP-UHFFFAOYSA-N	1	0	353.488	1.631	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1	ZINC000632678053	558204244	/nfs/dbraw/zinc/20/42/44/558204244.db2.gz	UAYBQKFDGCAQJW-UHFFFAOYSA-N	1	0	365.518	1.808	20	30		FDEDRO
CN1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1=O	ZINC000481544201	568050504	/nfs/dbraw/zinc/05/05/04/568050504.db2.gz	ATKNHUJUFZEIAV-QGZVFWFLSA-N	1	0	357.458	1.252	20	30		FDEDRO
CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1CCC(=O)Nc1cccc(C#N)c1	ZINC000481734522	568099698	/nfs/dbraw/zinc/09/96/98/568099698.db2.gz	KXFONXURUMSRRS-SJORKVTESA-N	1	0	359.426	1.929	20	30		FDEDRO
C[NH+]1CCN(c2cc(C[NH2+][C@@H](C(=O)[O-])c3cccc(C#N)c3)ccn2)CC1	ZINC000830960326	601301129	/nfs/dbraw/zinc/30/11/29/601301129.db2.gz	JUZCSXHCYSKIAZ-LJQANCHMSA-N	1	0	365.437	1.621	20	30		FDEDRO
C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1	ZINC000273379144	674532149	/nfs/dbraw/zinc/53/21/49/674532149.db2.gz	DPCZQRBDNTWOED-HNNXBMFYSA-N	1	0	363.483	1.227	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000819750230	607022140	/nfs/dbraw/zinc/02/21/40/607022140.db2.gz	AMKJYMFRHIJLFU-UHFFFAOYSA-N	1	0	370.457	1.791	20	30		FDEDRO
C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(-c2nn[nH]n2)c(F)c1	ZINC000824598767	609150637	/nfs/dbraw/zinc/15/06/37/609150637.db2.gz	ILRZUFJKQAYSSW-FQJKJTRHSA-N	1	0	371.376	1.183	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000823878154	609225131	/nfs/dbraw/zinc/22/51/31/609225131.db2.gz	RCHIJBXLCRWZDS-INIZCTEOSA-N	1	0	356.430	1.057	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c(Cl)n1	ZINC000275912190	674664390	/nfs/dbraw/zinc/66/43/90/674664390.db2.gz	SQNTXEVIDGXDSI-UHFFFAOYSA-N	1	0	367.837	1.376	20	30		FDEDRO
C[NH+](C)[C@H]1CCCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1	ZINC000277098952	674856117	/nfs/dbraw/zinc/85/61/17/674856117.db2.gz	CGWSKDSCDGDRDP-KRWDZBQOSA-N	1	0	363.483	1.416	20	30		FDEDRO
C#CC[NH+]1CCC(c2nc(-c3ccc(NS(C)(=O)=O)cc3)no2)CC1	ZINC000278125129	675096474	/nfs/dbraw/zinc/09/64/74/675096474.db2.gz	PHWVWTJJBXFLFL-UHFFFAOYSA-N	1	0	360.439	1.921	20	30		FDEDRO
C=CCN1C(=S)N=NC1c1sc(NC(=O)C[C@H](C[NH3+])OC)nc1C	ZINC000278175272	675102729	/nfs/dbraw/zinc/10/27/29/675102729.db2.gz	KVEIWEJYUBTSEV-SECBINFHSA-N	1	0	368.488	1.487	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CCCN1S(C)(=O)=O)C(C)C	ZINC000046049189	670989692	/nfs/dbraw/zinc/98/96/92/670989692.db2.gz	PTBUNMBANIXWCF-CVEARBPZSA-N	1	0	357.520	1.225	20	30		FDEDRO
CN(Cc1ccc(F)cc1)C(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CC1	ZINC000073783352	671404353	/nfs/dbraw/zinc/40/43/53/671404353.db2.gz	ADBHYWRTSMFVOY-CQSZACIVSA-N	1	0	353.463	1.800	20	30		FDEDRO
Cc1ncsc1CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000089120807	671491967	/nfs/dbraw/zinc/49/19/67/671491967.db2.gz	ICBHOSOGCRMFMD-GFCCVEGCSA-N	1	0	351.476	1.832	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1	ZINC000104168002	671594618	/nfs/dbraw/zinc/59/46/18/671594618.db2.gz	YCQSBHCIXCFQRP-GJZGRUSLSA-N	1	0	353.511	1.632	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CSC[C@H]2C(=O)N[C@H](C)C(C)C)CC1	ZINC000113074800	671644972	/nfs/dbraw/zinc/64/49/72/671644972.db2.gz	PVSQPMYDQUOZDR-ZBFHGGJFSA-N	1	0	351.516	1.394	20	30		FDEDRO
COCCNC(=[NH2+])NCc1ccc(Br)cc1N1CCOCC1	ZINC000119068857	671670145	/nfs/dbraw/zinc/67/01/45/671670145.db2.gz	CSSIMEUIBDYYFR-UHFFFAOYSA-N	1	0	371.279	1.336	20	30		FDEDRO
C=C(Br)CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000133926126	671824299	/nfs/dbraw/zinc/82/42/99/671824299.db2.gz	BHZNCVYPFKUXKX-NSHDSACASA-N	1	0	359.268	1.776	20	30		FDEDRO
Cc1cc(S(=O)(=O)NCCNC(=[NH2+])N2CCC[C@@H](C)C2)c(C)s1	ZINC000151410912	671864647	/nfs/dbraw/zinc/86/46/47/671864647.db2.gz	URIGLWCJYPZCLI-LLVKDONJSA-N	1	0	358.533	1.690	20	30		FDEDRO
CC(C)[NH2+]CCC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1	ZINC000154634486	671925954	/nfs/dbraw/zinc/92/59/54/671925954.db2.gz	RSSHWIXWSJOYMT-SILNSSARSA-N	1	0	366.487	1.826	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCCS1)NCC1CCN(S(C)(=O)=O)CC1	ZINC000157367766	671968263	/nfs/dbraw/zinc/96/82/63/671968263.db2.gz	SPUHBLFLBXRGQT-AWEZNQCLSA-N	1	0	362.565	1.109	20	30		FDEDRO
C[NH+]=C(NCCO[C@@H]1CCCC[C@H]1C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158581746	671981063	/nfs/dbraw/zinc/98/10/63/671981063.db2.gz	HYQCOSZYQRNBHS-HUUCEWRRSA-N	1	0	359.536	1.666	20	30		FDEDRO
C[NH+]=C(NCCc1sc(C)nc1C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158588953	671981154	/nfs/dbraw/zinc/98/11/54/671981154.db2.gz	RFBHFRIVWJCULL-UHFFFAOYSA-N	1	0	358.533	1.387	20	30		FDEDRO
CC[NH+]=C(NC[C@@H](O)C1CCCCC1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158594685	671981464	/nfs/dbraw/zinc/98/14/64/671981464.db2.gz	VHLDKDHECIJXLA-OAHLLOKOSA-N	1	0	359.536	1.402	20	30		FDEDRO
C[NH+]=C(NCc1ccnc(C)n1)N[C@H]1CCN(c2ncccc2Cl)C1	ZINC000158969291	671985875	/nfs/dbraw/zinc/98/58/75/671985875.db2.gz	QWJYRBOQKDTEGL-AWEZNQCLSA-N	1	0	359.865	1.777	20	30		FDEDRO
C[NH+]=C(NCCSC(F)(F)F)N1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000172285578	672066150	/nfs/dbraw/zinc/06/61/50/672066150.db2.gz	NJFCHBGSIVYKQH-NSHDSACASA-N	1	0	368.425	1.138	20	30		FDEDRO
CC(C)[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1)N1CC[NH+](C)CC1	ZINC000288238420	675980696	/nfs/dbraw/zinc/98/06/96/675980696.db2.gz	FWBIWGNHIUQLSG-SFHVURJKSA-N	1	0	364.515	1.250	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cc(S(=O)(=O)NC)ccc1C	ZINC000178459230	672142248	/nfs/dbraw/zinc/14/22/48/672142248.db2.gz	CTDUPPOIZPJOHO-OAHLLOKOSA-N	1	0	366.483	1.794	20	30		FDEDRO
CC[NH+]=C(NCCC(=O)N1CCN(C)CC1)N1CCS[C@H](C(C)C)C1	ZINC000179073674	672154220	/nfs/dbraw/zinc/15/42/20/672154220.db2.gz	FGZPJBGVLIUQRT-INIZCTEOSA-N	1	0	369.579	1.189	20	30		FDEDRO
NC(=[NH+]OCCOCC(F)(F)F)c1ccc(N2CCC(O)CC2)cc1	ZINC000181675749	672200641	/nfs/dbraw/zinc/20/06/41/672200641.db2.gz	OIXHKAAISZKNMF-UHFFFAOYSA-N	1	0	361.364	1.864	20	30		FDEDRO
C[N@H+](CCONC(N)=CC(=O)N1CCCCC1)Cc1ccc(F)cc1	ZINC000189301191	672307955	/nfs/dbraw/zinc/30/79/55/672307955.db2.gz	NMEKLTIFYYYQBS-UHFFFAOYSA-N	1	0	350.438	1.949	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000288606092	676028522	/nfs/dbraw/zinc/02/85/22/676028522.db2.gz	KFCCKQPSYDJOEV-UHFFFAOYSA-N	1	0	352.504	1.203	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1	ZINC000261651090	672643092	/nfs/dbraw/zinc/64/30/92/672643092.db2.gz	BJBIIAJJTPTIKK-IYBDPMFKSA-N	1	0	363.483	1.223	20	30		FDEDRO
CC[NH+]=C(NC[C@H](C)SC)N1CCC([C@]2(C)NC(=O)NC2=O)CC1	ZINC000261770733	672668917	/nfs/dbraw/zinc/66/89/17/672668917.db2.gz	OCBNAFZLZMSWPV-ZBEGNZNMSA-N	1	0	355.508	1.014	20	30		FDEDRO
C[NH+]=C(NCCS(C)(=O)=O)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1	ZINC000261805049	672674722	/nfs/dbraw/zinc/67/47/22/672674722.db2.gz	RWJQDXMUVZSLRH-WFASDCNBSA-N	1	0	357.451	1.208	20	30		FDEDRO
C[NH+]=C(NCCS(C)(=O)=O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1	ZINC000261805036	672674770	/nfs/dbraw/zinc/67/47/70/672674770.db2.gz	RWJQDXMUVZSLRH-DOMZBBRYSA-N	1	0	357.451	1.208	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC3(CC[NH2+]C3)CC2)cc1	ZINC000261911451	672692473	/nfs/dbraw/zinc/69/24/73/672692473.db2.gz	XOOJCJYCLZBDGD-UHFFFAOYSA-N	1	0	363.483	1.367	20	30		FDEDRO
CC[NH+]=C(NCCN1CCC(C)CC1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261937779	672697950	/nfs/dbraw/zinc/69/79/50/672697950.db2.gz	CWKQOEJFWFPYDY-UHFFFAOYSA-N	1	0	358.552	1.193	20	30		FDEDRO
CC[NH+]=C(NC[C@H](C)N1CCCC[C@@H]1C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261942071	672698235	/nfs/dbraw/zinc/69/82/35/672698235.db2.gz	DSLSCYONSQBPBN-HOTGVXAUSA-N	1	0	372.579	1.724	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(-c2nc(C3([NH3+])CCC3)no2)ccc1F	ZINC000261951936	672700664	/nfs/dbraw/zinc/70/06/64/672700664.db2.gz	OCBYJMWSBOLBTF-UHFFFAOYSA-N	1	0	352.391	1.678	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(C)c(OC)c1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261969246	672704375	/nfs/dbraw/zinc/70/43/75/672704375.db2.gz	MGRQOWMGLNKIKP-UHFFFAOYSA-N	1	0	367.515	1.978	20	30		FDEDRO
CCC(=O)N1CC[C@@H](NC(NCCN2CCc3sccc3C2)=[NH+]C)C1	ZINC000261969762	672704422	/nfs/dbraw/zinc/70/44/22/672704422.db2.gz	MMFJRWQCIBSWCQ-OAHLLOKOSA-N	1	0	363.531	1.282	20	30		FDEDRO
C[NH+]=C(NCCn1cnc2ccccc21)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261974962	672705125	/nfs/dbraw/zinc/70/51/25/672705125.db2.gz	NNPZIAYCWNTUEK-UHFFFAOYSA-N	1	0	363.487	1.121	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(=[NH+]C)N2CCS(=O)(=O)C(C)(C)C2)C12CCC2	ZINC000261978348	672705772	/nfs/dbraw/zinc/70/57/72/672705772.db2.gz	OFQKAHOLFNKHKM-UONOGXRCSA-N	1	0	357.520	1.419	20	30		FDEDRO
C[NH+]=C(NCc1ccc(CS(C)(=O)=O)cc1)N1CC[C@]2(CCOC2)C1	ZINC000261990107	672707372	/nfs/dbraw/zinc/70/73/72/672707372.db2.gz	RCYAFFWVSYUIAF-SFHVURJKSA-N	1	0	365.499	1.419	20	30		FDEDRO
CC[NH+]=C(NCc1cc(C)cc(OC)c1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000262001857	672709694	/nfs/dbraw/zinc/70/96/94/672709694.db2.gz	UNNHCZRSPGJBFZ-UHFFFAOYSA-N	1	0	367.515	1.978	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1csc(Br)c1	ZINC000262008811	672711017	/nfs/dbraw/zinc/71/10/17/672711017.db2.gz	SLXCDEKFXPXBTO-UHFFFAOYSA-N	1	0	361.309	1.508	20	30		FDEDRO
[NH2+]=C(NCc1cc(Br)c2c(c1)OCCO2)N1CCOCC1	ZINC000262007979	672710987	/nfs/dbraw/zinc/71/09/87/672710987.db2.gz	SHRNPORFPYZATC-UHFFFAOYSA-N	1	0	356.220	1.367	20	30		FDEDRO
C[NH+]=C(NC[C@@H](O)c1cccc(C)c1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000262021729	672713135	/nfs/dbraw/zinc/71/31/35/672713135.db2.gz	YYZKPLXLBCXBDH-OAHLLOKOSA-N	1	0	353.488	1.113	20	30		FDEDRO
[NH2+]=C(NC[C@H]1CCCS1(=O)=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000262305305	672765939	/nfs/dbraw/zinc/76/59/39/672765939.db2.gz	AHNQMBJBOKCYOW-LLVKDONJSA-N	1	0	351.350	1.889	20	30		FDEDRO
CN(C)C(=O)CNC(NC[C@H]1COC2(CCCCCC2)O1)=[NH+]C1CC1	ZINC000262308419	672766729	/nfs/dbraw/zinc/76/67/29/672766729.db2.gz	PGNVEFSPRHYJTD-HNNXBMFYSA-N	1	0	352.479	1.238	20	30		FDEDRO
C[C@@H]1CCCN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C[C@@H]2CCCCO2)C1	ZINC000262327468	672770567	/nfs/dbraw/zinc/77/05/67/672770567.db2.gz	AGGQBBBRBUTEMC-IKGGRYGDSA-N	1	0	371.547	1.668	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	ZINC000262347306	672774597	/nfs/dbraw/zinc/77/45/97/672774597.db2.gz	DLVWMDVJQYNJJF-JONQDZQNSA-N	1	0	369.531	1.322	20	30		FDEDRO
C=C(C)CNC(NCC(=O)N(C)C)=[NH+][C@H]1CCOC2(CCSCC2)C1	ZINC000262351601	672775178	/nfs/dbraw/zinc/77/51/78/672775178.db2.gz	YYBFOKATLQEWFY-HNNXBMFYSA-N	1	0	368.547	1.631	20	30		FDEDRO
Cn1ccc(CNC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CCCCC2)c1	ZINC000262360246	672776525	/nfs/dbraw/zinc/77/65/25/672776525.db2.gz	GQLPTFBSDNUILL-MRXNPFEDSA-N	1	0	366.531	1.828	20	30		FDEDRO
O=S1(=O)CC[C@@H](CNC(NC2CCCCC2)=[NH+]CC2CCOCC2)C1	ZINC000262366527	672777414	/nfs/dbraw/zinc/77/74/14/672777414.db2.gz	HUICTVGNDFWKAS-INIZCTEOSA-N	1	0	371.547	1.716	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N(C)Cc1cc(F)c(F)c(F)c1	ZINC000262384107	672780801	/nfs/dbraw/zinc/78/08/01/672780801.db2.gz	KYYHYVVQUUDYCK-JTQLQIEISA-N	1	0	363.405	1.546	20	30		FDEDRO
CC[C@H](C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	ZINC000262392906	672782388	/nfs/dbraw/zinc/78/23/88/672782388.db2.gz	MMEBOUVVOWPERK-GVRJEKJASA-N	1	0	371.547	1.568	20	30		FDEDRO
C=C(C)CNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CC[C@H]([C@H]2CCOC2)C1	ZINC000262422716	672786981	/nfs/dbraw/zinc/78/69/81/672786981.db2.gz	RDGAXPFLOUEDIG-ULQDDVLXSA-N	1	0	369.531	1.301	20	30		FDEDRO
CC[NH+]=C(NCC(C)(C)N1CCOCC1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	ZINC000262424931	672787313	/nfs/dbraw/zinc/78/73/13/672787313.db2.gz	NOTCXCOYSPVYAG-XHSDSOJGSA-N	1	0	352.523	1.466	20	30		FDEDRO
CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](N2CCCCC2)C1	ZINC000262442728	672790458	/nfs/dbraw/zinc/79/04/58/672790458.db2.gz	UWNDSBCFRQTCEH-IRXDYDNUSA-N	1	0	370.563	1.337	20	30		FDEDRO
C=CCNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CCc2cc(F)ccc2C1	ZINC000262452840	672792152	/nfs/dbraw/zinc/79/21/52/672792152.db2.gz	WGKZDPKZKDZDSC-AWEZNQCLSA-N	1	0	365.474	1.750	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(N[C@H]2CCC(=O)N(C)C2)=[NH+]C)C12CCCCC2	ZINC000262467210	672794427	/nfs/dbraw/zinc/79/44/27/672794427.db2.gz	YJGBDJABAIKYAN-HRCADAONSA-N	1	0	350.507	1.900	20	30		FDEDRO
C/[NH+]=C(/NCc1cn2ccsc2n1)NCC1(C(=O)N(C)C)CCCC1	ZINC000262564760	672807925	/nfs/dbraw/zinc/80/79/25/672807925.db2.gz	XPNBYKVBVKAPRW-UHFFFAOYSA-N	1	0	362.503	1.709	20	30		FDEDRO
C[C@H]1C[NH+]=C(NCc2ccc(Br)cc2N2CCOCC2)N1	ZINC000262687694	672830435	/nfs/dbraw/zinc/83/04/35/672830435.db2.gz	YYRHANNQQZMGGN-NSHDSACASA-N	1	0	353.264	1.723	20	30		FDEDRO
C[NH+]=C(NC[C@]1(N(C)C)CCSC1)N(C)Cc1ccc2c(c1)OCO2	ZINC000262789317	672849793	/nfs/dbraw/zinc/84/97/93/672849793.db2.gz	NPXJGZLMMJOBFK-GOSISDBHSA-N	1	0	364.515	1.860	20	30		FDEDRO
C[NH+]=C(NC[C@H](O)C1CCCCC1)N1CC[C@H](CN2CCOCC2)C1	ZINC000262790073	672850187	/nfs/dbraw/zinc/85/01/87/672850187.db2.gz	NSCZWERXRVLXCO-AEFFLSMTSA-N	1	0	352.523	1.157	20	30		FDEDRO
CN(CCNC(=[NH2+])N1CCCCCC1)S(=O)(=O)c1ccc(F)cc1	ZINC000262837717	672851987	/nfs/dbraw/zinc/85/19/87/672851987.db2.gz	SURLXULUYBXRLH-UHFFFAOYSA-N	1	0	356.467	1.637	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	ZINC000264136422	672903031	/nfs/dbraw/zinc/90/30/31/672903031.db2.gz	ZUHJNAISTSEIBH-BFHYXJOUSA-N	1	0	352.454	1.879	20	30		FDEDRO
COCc1nc(CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)cs1	ZINC000290756489	676229648	/nfs/dbraw/zinc/22/96/48/676229648.db2.gz	YUFNWFWNDMLTJW-UHFFFAOYSA-N	1	0	369.491	1.657	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)C1=O	ZINC000280915842	675469831	/nfs/dbraw/zinc/46/98/31/675469831.db2.gz	CTMVYLLZTVGQNV-CZUORRHYSA-N	1	0	351.472	1.374	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1	ZINC000282504889	675631330	/nfs/dbraw/zinc/63/13/30/675631330.db2.gz	ZFHBRYLRTGYLAX-YJBOKZPZSA-N	1	0	364.515	1.823	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NCc1ccccc1C[NH+]1CCCC1	ZINC000282980974	675645543	/nfs/dbraw/zinc/64/55/43/675645543.db2.gz	XJMQEXMMANSBSN-OAHLLOKOSA-N	1	0	350.488	1.708	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NCc1nc(C)cs1)C(C)C	ZINC000283489350	675657937	/nfs/dbraw/zinc/65/79/37/675657937.db2.gz	OBSJKGBFERPEJJ-OAHLLOKOSA-N	1	0	364.515	1.883	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)NCC1CCOCC1)C(C)C	ZINC000284111190	675671866	/nfs/dbraw/zinc/67/18/66/675671866.db2.gz	PFSVBKZXMJXUDL-KRWDZBQOSA-N	1	0	351.491	1.344	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)NCc1ccccc1C[NH+]1CCCC1	ZINC000284858507	675754334	/nfs/dbraw/zinc/75/43/34/675754334.db2.gz	YJIWTZRQPDVHCU-UHFFFAOYSA-N	1	0	361.511	1.934	20	30		FDEDRO
C#CC[N@H+](C)CCCNc1ccc(S(=O)(=O)N2CCCCC2)cn1	ZINC000292884970	676324895	/nfs/dbraw/zinc/32/48/95/676324895.db2.gz	VDZJGDFOWFNMMX-UHFFFAOYSA-N	1	0	350.488	1.623	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1c(F)cccc1Br	ZINC000293297194	676343442	/nfs/dbraw/zinc/34/34/42/676343442.db2.gz	HFKBIPGNGRGUHF-UHFFFAOYSA-N	1	0	370.222	1.598	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)ccc1N(C)C	ZINC000293447888	676351291	/nfs/dbraw/zinc/35/12/91/676351291.db2.gz	SHQFYERWFLMXTM-UHFFFAOYSA-N	1	0	350.850	1.416	20	30		FDEDRO
C[NH+]1CCN(CCCNC(=O)c2ccc(Br)cc2C#N)CC1	ZINC000294544135	676388528	/nfs/dbraw/zinc/38/85/28/676388528.db2.gz	VIUXXHZNZNIPOP-UHFFFAOYSA-N	1	0	365.275	1.688	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+]Cc1ccc(I)cc1	ZINC000295455372	676405822	/nfs/dbraw/zinc/40/58/22/676405822.db2.gz	QMRGCKJPOQXBTE-UHFFFAOYSA-N	1	0	365.236	1.982	20	30		FDEDRO
[NH2+]=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)NC[C@@H]1CCCO1	ZINC000303256592	676542369	/nfs/dbraw/zinc/54/23/69/676542369.db2.gz	IHIZJUGMNFXRQQ-DLBZAZTESA-N	1	0	366.893	1.797	20	30		FDEDRO
CNS(=O)(=O)Cc1ccc(CNC(=[NH2+])NCCc2ccccc2)cc1	ZINC000303780171	676542806	/nfs/dbraw/zinc/54/28/06/676542806.db2.gz	LDFQRMMJJGOZOL-UHFFFAOYSA-N	1	0	360.483	1.383	20	30		FDEDRO
COCCOCCCCNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000303988276	676543989	/nfs/dbraw/zinc/54/39/89/676543989.db2.gz	WHPCCDXBWAKMNX-UHFFFAOYSA-N	1	0	358.483	1.297	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCCNC(=O)C(C)(C)C)CC1	ZINC000303972482	676544011	/nfs/dbraw/zinc/54/40/11/676544011.db2.gz	FUFUEHXOYZHKTO-UHFFFAOYSA-N	1	0	355.483	1.016	20	30		FDEDRO
CC(C)(C)C(=O)NCCNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1	ZINC000303975226	676544016	/nfs/dbraw/zinc/54/40/16/676544016.db2.gz	IWCAUZRPBVTRBY-UHFFFAOYSA-N	1	0	365.909	1.939	20	30		FDEDRO
[NH2+]=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)N1CCCCC1	ZINC000304741399	676544188	/nfs/dbraw/zinc/54/41/88/676544188.db2.gz	CBWMQMOCQPOMMP-UHFFFAOYSA-N	1	0	356.414	1.349	20	30		FDEDRO
O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)N1CC[C@](F)(CO)C1	ZINC000328695328	676602714	/nfs/dbraw/zinc/60/27/14/676602714.db2.gz	KLNAXYWBBFUUNV-GOSISDBHSA-N	1	0	357.470	1.589	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@H]3C(=O)NC[C@H]32)C1	ZINC000328766323	676605991	/nfs/dbraw/zinc/60/59/91/676605991.db2.gz	FGNUGCKFMGXXMK-BZUAXINKSA-N	1	0	352.479	1.350	20	30		FDEDRO
COCC1(O)CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1	ZINC000328810010	676607989	/nfs/dbraw/zinc/60/79/89/676607989.db2.gz	DOQGWORPDIZBJO-UHFFFAOYSA-N	1	0	355.479	1.019	20	30		FDEDRO
O=C(C[N@@H+]1CCC[C@@H]1C1CCCC1)NC(=O)N[C@H]1CCS(=O)(=O)C1	ZINC000328812900	676608016	/nfs/dbraw/zinc/60/80/16/676608016.db2.gz	FQNLEKZNIJOLPX-UONOGXRCSA-N	1	0	357.476	1.699	20	30		FDEDRO
C[NH+]1CCN(c2ccc(NC(=O)C(C)(C)S(=O)(=O)C3CC3)cn2)CC1	ZINC000328815691	676608224	/nfs/dbraw/zinc/60/82/24/676608224.db2.gz	OHFCHIKXHVPWNM-UHFFFAOYSA-N	1	0	366.487	1.777	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)CC1	ZINC000328975271	676614647	/nfs/dbraw/zinc/61/46/47/676614647.db2.gz	PVWSCMGHVRAIOM-NSHDSACASA-N	1	0	358.464	1.399	20	30		FDEDRO
O=C(NC[C@H](O)C1CCOCC1)NC1CC[NH+](CC2CCCC2)CC1	ZINC000329002038	676615689	/nfs/dbraw/zinc/61/56/89/676615689.db2.gz	HCGSVHZJCIPNOM-SFHVURJKSA-N	1	0	353.507	1.932	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)C1	ZINC000329047952	676617335	/nfs/dbraw/zinc/61/73/35/676617335.db2.gz	KAUFCKUGUIMVBV-XMTFNYHQSA-N	1	0	353.507	1.740	20	30		FDEDRO
C[NH+]1CCC2(CCCN2C(=O)NC2CCC(S(C)(=O)=O)CC2)CC1	ZINC000329099512	676619957	/nfs/dbraw/zinc/61/99/57/676619957.db2.gz	ZEVGJXHCWTWKHY-UHFFFAOYSA-N	1	0	357.520	1.816	20	30		FDEDRO
CN1CCO[C@H](CNC(=O)N[C@@H]2CC(=O)N(c3ccccc3Cl)C2)C1	ZINC000329214600	676625841	/nfs/dbraw/zinc/62/58/41/676625841.db2.gz	LIBHFRHFUZRWFC-CHWSQXEVSA-N	1	0	366.849	1.280	20	30		FDEDRO
C[NH+]1CCN(CCNC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCCC2)CC1	ZINC000329235135	676627406	/nfs/dbraw/zinc/62/74/06/676627406.db2.gz	IISCCAFZKQFHOL-IAGOWNOFSA-N	1	0	350.507	1.619	20	30		FDEDRO
O=C(NC[C@H]1COCCO1)NCC1([NH+]2CCSCC2)CCCCC1	ZINC000329239307	676627659	/nfs/dbraw/zinc/62/76/59/676627659.db2.gz	LVXPCJOMEQVHOI-HNNXBMFYSA-N	1	0	357.520	1.657	20	30		FDEDRO
C[C@H](CNC(=O)N1CC[C@@H](C(=O)N2CCCC2)C1)[NH+]1CCC(C)CC1	ZINC000329240483	676627776	/nfs/dbraw/zinc/62/77/76/676627776.db2.gz	QZSIJXQTZZWXHV-IAGOWNOFSA-N	1	0	350.507	1.965	20	30		FDEDRO
C[NH+](C)C[C@@H]1CCN(C(=O)Nc2nc(CN3CCOCC3)cs2)C1	ZINC000329248970	676628505	/nfs/dbraw/zinc/62/85/05/676628505.db2.gz	ANSOHFQHAHWEPE-ZDUSSCGKSA-N	1	0	353.492	1.404	20	30		FDEDRO
C[NH+]1CCC(C)(CNC(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CC1	ZINC000329262828	676629319	/nfs/dbraw/zinc/62/93/19/676629319.db2.gz	BHNNZFOWPQXBGC-LLVKDONJSA-N	1	0	350.385	1.385	20	30		FDEDRO
Cc1nc([C@@H]2CN(C(=O)NC[C@]3([NH+](C)C)CCSC3)CCO2)no1	ZINC000329267306	676629664	/nfs/dbraw/zinc/62/96/64/676629664.db2.gz	DFEVOQZSGZRCJN-SWLSCSKDSA-N	1	0	355.464	1.103	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCOCC2(CC2)C1	ZINC000329329555	676633399	/nfs/dbraw/zinc/63/33/99/676633399.db2.gz	YLPKPEQTHIAVLO-LBPRGKRZSA-N	1	0	353.444	1.423	20	30		FDEDRO
Cc1nc([C@@H]2CN(C(=O)NC[C@H](C)[NH+]3CCC(C)CC3)CCO2)no1	ZINC000329353153	676634647	/nfs/dbraw/zinc/63/46/47/676634647.db2.gz	UWQNRIFFIXEGCN-ZFWWWQNUSA-N	1	0	351.451	1.786	20	30		FDEDRO
CC[C@@H]1CN(C(=O)NCC2CC[NH+](C3CC3)CC2)C[C@H](C)S1(=O)=O	ZINC000329474132	676640262	/nfs/dbraw/zinc/64/02/62/676640262.db2.gz	NLKROHSAAZWFAO-XJKSGUPXSA-N	1	0	357.520	1.672	20	30		FDEDRO
CC[N@@H+]1CCCN(C(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1	ZINC000329480961	676640753	/nfs/dbraw/zinc/64/07/53/676640753.db2.gz	DEMAMAIBICICOF-INIZCTEOSA-N	1	0	351.495	1.608	20	30		FDEDRO
CC(C)(CNC(=O)N1CC[C@H](C(=O)N2CCCC2)C1)C[NH+]1CCCC1	ZINC000329541202	676643350	/nfs/dbraw/zinc/64/33/50/676643350.db2.gz	NIAFJXQRHLOEGM-INIZCTEOSA-N	1	0	350.507	1.967	20	30		FDEDRO
C[C@H](NC(=O)N1CCC(S(N)(=O)=O)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000329629121	676646873	/nfs/dbraw/zinc/64/68/73/676646873.db2.gz	UYPLZZPNQFXWKJ-UONOGXRCSA-N	1	0	372.535	1.306	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCCS2)CC1	ZINC000329728815	676652105	/nfs/dbraw/zinc/65/21/05/676652105.db2.gz	FQTJHQCCOZNTHF-LSDHHAIUSA-N	1	0	354.520	1.425	20	30		FDEDRO
CS(=O)(=O)N1CCC[C@H](NC(=O)CC2([NH+]3CCOCC3)CCCC2)C1	ZINC000329766539	676653980	/nfs/dbraw/zinc/65/39/80/676653980.db2.gz	YHIMVPVYQYNJDI-HNNXBMFYSA-N	1	0	373.519	1.402	20	30		FDEDRO
Cc1nnc([C@@H](C)NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)s1	ZINC000329783095	676655756	/nfs/dbraw/zinc/65/57/56/676655756.db2.gz	OFLSPSCXEACCSR-GFCCVEGCSA-N	1	0	353.492	1.866	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)NCC(=O)N(C)C2CCCCC2)C[C@H]1C	ZINC000329811628	676658220	/nfs/dbraw/zinc/65/82/20/676658220.db2.gz	CUAYGLPYHYDXSG-CABCVRRESA-N	1	0	354.495	1.078	20	30		FDEDRO
CCN1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1=O	ZINC000329841823	676660270	/nfs/dbraw/zinc/66/02/70/676660270.db2.gz	NPTPHKHSJMFJML-UHFFFAOYSA-N	1	0	368.547	1.816	20	30		FDEDRO
CN1C[C@H](NC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1=O	ZINC000329925160	676663930	/nfs/dbraw/zinc/66/39/30/676663930.db2.gz	JORDAOQAAFMQGL-ZENOOKHLSA-N	1	0	350.488	1.865	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](NC(=O)N2CCO[C@@H](c3nnc(C(C)C)o3)C2)C1	ZINC000329930878	676664206	/nfs/dbraw/zinc/66/42/06/676664206.db2.gz	ZXYSQCQGKMSXRO-UONOGXRCSA-N	1	0	351.451	1.965	20	30		FDEDRO
CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)C(=O)NCc1nnn(C)n1	ZINC000329960549	676665657	/nfs/dbraw/zinc/66/56/57/676665657.db2.gz	RQVRSEXPSMLKAY-RYUDHWBXSA-N	1	0	367.454	1.230	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C12CCOCC2	ZINC000329983405	676667134	/nfs/dbraw/zinc/66/71/34/676667134.db2.gz	PNQIIAFHKXMCSN-PQEBFOHHSA-N	1	0	351.491	1.947	20	30		FDEDRO
C[NH+]1CCC(O)(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCCC2)CC1	ZINC000330009305	676668647	/nfs/dbraw/zinc/66/86/47/676668647.db2.gz	GCODLZGQQMCWRX-HZPDHXFCSA-N	1	0	351.491	1.828	20	30		FDEDRO
CC(=O)N1CCC[C@H](CNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C1	ZINC000330031538	676669446	/nfs/dbraw/zinc/66/94/46/676669446.db2.gz	UDWXYXCZGZSFNH-SJLPKXTDSA-N	1	0	350.507	1.823	20	30		FDEDRO
CCn1nccc1N1CCC[C@H](NC(=O)C[N@H+](C)[C@H]2CCSC2)C1=O	ZINC000330137266	676674799	/nfs/dbraw/zinc/67/47/99/676674799.db2.gz	HXGXOCIQYNNODF-KBPBESRZSA-N	1	0	365.503	1.792	20	30		FDEDRO
COCCO[C@@H]1COCC[C@H]1NC(=O)N1CCCC12CC[NH+](C)CC2	ZINC000330169284	676676459	/nfs/dbraw/zinc/67/64/59/676676459.db2.gz	DGJUDLPIEXXVFU-HZPDHXFCSA-N	1	0	355.479	1.281	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21	ZINC000330171781	676676552	/nfs/dbraw/zinc/67/65/52/676676552.db2.gz	FSSLUJPPPVMOFS-DZVNLGKHSA-N	1	0	351.491	1.825	20	30		FDEDRO
CC(C)c1nnc2n1CCN(C(=O)NC[C@@]1([NH+](C)C)CCSC1)C2	ZINC000330173609	676676599	/nfs/dbraw/zinc/67/65/99/676676599.db2.gz	YOQWFNUZQUQEKU-INIZCTEOSA-N	1	0	352.508	1.568	20	30		FDEDRO
NC(=O)C1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1	ZINC000330238459	676680272	/nfs/dbraw/zinc/68/02/72/676680272.db2.gz	VFDFUNRKRRBWTP-HZPDHXFCSA-N	1	0	352.479	1.916	20	30		FDEDRO
C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1	ZINC000330243456	676680440	/nfs/dbraw/zinc/68/04/40/676680440.db2.gz	WVXWKQAOCXMDQK-RFGFWPKPSA-N	1	0	357.476	1.697	20	30		FDEDRO
CCC(=O)N1CC[C@H](NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C1	ZINC000330272685	676682454	/nfs/dbraw/zinc/68/24/54/676682454.db2.gz	XYWZNAFVMWIGQZ-CABCVRRESA-N	1	0	352.479	1.096	20	30		FDEDRO
C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C1	ZINC000330370855	676685673	/nfs/dbraw/zinc/68/56/73/676685673.db2.gz	GUGXXSNWGSOACZ-BFYDXBDKSA-N	1	0	350.488	1.748	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1	ZINC000330376747	676686638	/nfs/dbraw/zinc/68/66/38/676686638.db2.gz	DPZAMHVKGDBEAQ-WMZOPIPTSA-N	1	0	364.515	1.967	20	30		FDEDRO
CCC(=O)N[C@@H]1CCCN(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1	ZINC000330478240	676692703	/nfs/dbraw/zinc/69/27/03/676692703.db2.gz	NMRCBJDLZZTJGH-CVEARBPZSA-N	1	0	354.495	1.248	20	30		FDEDRO
C[C@H](NC(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1)c1cccc(S(N)(=O)=O)c1	ZINC000330578470	676697029	/nfs/dbraw/zinc/69/70/29/676697029.db2.gz	HNVIKKVKPSOWCL-IACUBPJLSA-N	1	0	354.476	1.381	20	30		FDEDRO
C[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C1=CC[N@H+](C)CC1	ZINC000330775230	676703886	/nfs/dbraw/zinc/70/38/86/676703886.db2.gz	RZOKCEXHPLZOLD-CYBMUJFWSA-N	1	0	351.472	1.892	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)CC1	ZINC000330822254	676705275	/nfs/dbraw/zinc/70/52/75/676705275.db2.gz	QWHVCFIJCPLXJS-UHFFFAOYSA-N	1	0	370.475	1.877	20	30		FDEDRO
C[N@H+](CCO)C1CCN(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1	ZINC000330857837	676706828	/nfs/dbraw/zinc/70/68/28/676706828.db2.gz	IZYWTXINUMEODC-UHFFFAOYSA-N	1	0	362.352	1.740	20	30		FDEDRO
Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1S(=O)(=O)NCC#N	ZINC000330914250	676710234	/nfs/dbraw/zinc/71/02/34/676710234.db2.gz	SLQRBGMGIGBJTI-UKRRQHHQSA-N	1	0	364.471	1.584	20	30		FDEDRO
CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(S(C)(=O)=O)s1	ZINC000330977885	676712357	/nfs/dbraw/zinc/71/23/57/676712357.db2.gz	WFOGRRBLZJFHIQ-CYBMUJFWSA-N	1	0	359.517	1.838	20	30		FDEDRO
C[NH+](C)CCNC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cn1	ZINC000331121816	676717598	/nfs/dbraw/zinc/71/75/98/676717598.db2.gz	NFOFSLOHDOVQOG-UHFFFAOYSA-N	1	0	355.464	1.144	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(S(C)(=O)=O)nc2)C[C@@H]1C	ZINC000331144227	676718519	/nfs/dbraw/zinc/71/85/19/676718519.db2.gz	GHEMSLXAXHQROJ-GXTWGEPZSA-N	1	0	354.476	1.835	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1	ZINC000331177943	676720129	/nfs/dbraw/zinc/72/01/29/676720129.db2.gz	LWDJNHNGTAXLFR-CVEARBPZSA-N	1	0	372.535	1.391	20	30		FDEDRO
C[C@@H]1CCC[N@H+](CCNC(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)C1	ZINC000331206024	676721816	/nfs/dbraw/zinc/72/18/16/676721816.db2.gz	YCXYNZAIGXNTBV-RBSFLKMASA-N	1	0	360.524	1.082	20	30		FDEDRO
CCOC(=O)[C@@H]1CC[C@H](NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)C1	ZINC000331224867	676722780	/nfs/dbraw/zinc/72/27/80/676722780.db2.gz	AELKUDNCMHOELW-KFWWJZLASA-N	1	0	355.479	1.409	20	30		FDEDRO
CC[C@]1(C)CN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCO1	ZINC000331296298	676725996	/nfs/dbraw/zinc/72/59/96/676725996.db2.gz	YTGALOSHKKAKDX-MAUKXSAKSA-N	1	0	354.495	1.344	20	30		FDEDRO
COc1cnccc1[C@H](C)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1	ZINC000331320993	676727357	/nfs/dbraw/zinc/72/73/57/676727357.db2.gz	JUAOERVZHVJXHX-KGLIPLIRSA-N	1	0	350.463	1.842	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1	ZINC000331965368	676735749	/nfs/dbraw/zinc/73/57/49/676735749.db2.gz	IYZMJLLGBLZYGJ-WMLDXEAASA-N	1	0	363.483	1.317	20	30		FDEDRO
CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)CC1(C#N)CCCCC1	ZINC000332613877	676743647	/nfs/dbraw/zinc/74/36/47/676743647.db2.gz	MBGNLOOZNCZKKK-UHFFFAOYSA-N	1	0	356.536	1.360	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C2(CO)Cc3ccccc3C2)cc1	ZINC000363123871	676936439	/nfs/dbraw/zinc/93/64/39/676936439.db2.gz	KFNVDERDVBGVKU-UHFFFAOYSA-N	1	0	356.447	1.451	20	30		FDEDRO
C=CCN(C(=O)CNS(=O)(=O)CC)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000363163414	676938997	/nfs/dbraw/zinc/93/89/97/676938997.db2.gz	WUJOVPAAYGYCRN-QGZVFWFLSA-N	1	0	365.499	1.215	20	30		FDEDRO
CC(C)(CC#N)CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1	ZINC000422085605	680688362	/nfs/dbraw/zinc/68/83/62/680688362.db2.gz	DBYSEAXEGMRZAM-UHFFFAOYSA-N	1	0	366.531	1.520	20	30		FDEDRO
COCCC[N@@H+]1CCCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1	ZINC000365134580	677351862	/nfs/dbraw/zinc/35/18/62/677351862.db2.gz	QDYWQDFGWPKMQJ-UHFFFAOYSA-N	1	0	355.435	1.430	20	30		FDEDRO
N#C[C@H]1CN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CCO1	ZINC000366203574	677421327	/nfs/dbraw/zinc/42/13/27/677421327.db2.gz	NWADYSBTLNEWPS-RUXDESIVSA-N	1	0	360.380	1.726	20	30		FDEDRO
N#Cc1ncn(C2CC[NH+](C[C@@H](O)COc3ccccc3Cl)CC2)n1	ZINC000366370518	677438098	/nfs/dbraw/zinc/43/80/98/677438098.db2.gz	CPQGQBKIQHUPSY-CQSZACIVSA-N	1	0	361.833	1.880	20	30		FDEDRO
O=S1(=O)CC[C@@H]([NH2+]C2CCN(CC#Cc3ccc(F)cc3)CC2)C1	ZINC000368998551	677502699	/nfs/dbraw/zinc/50/26/99/677502699.db2.gz	AYGNQUALYXPACF-GOSISDBHSA-N	1	0	350.459	1.418	20	30		FDEDRO
COC(=O)[C@]12C[N@H+](CCC(=O)Nc3sccc3C#N)C[C@H]1COCC2	ZINC000369707278	677511600	/nfs/dbraw/zinc/51/16/00/677511600.db2.gz	RLNKGFSMAAMAIL-SUMWQHHRSA-N	1	0	363.439	1.460	20	30		FDEDRO
N#Cc1ccc(F)c(CN2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)c1	ZINC000369907527	677526480	/nfs/dbraw/zinc/52/64/80/677526480.db2.gz	ZFIHZZSBFGJNKG-MRXNPFEDSA-N	1	0	351.447	1.438	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)CC1	ZINC000370568378	677592677	/nfs/dbraw/zinc/59/26/77/677592677.db2.gz	IFYAROPYSFCLPC-MSOLQXFVSA-N	1	0	350.507	1.579	20	30		FDEDRO
CN(C1CC[NH+](C2CCOCC2)CC1)S(=O)(=O)c1ccccc1C#N	ZINC000371015050	677638690	/nfs/dbraw/zinc/63/86/90/677638690.db2.gz	GJSSNFKTSLGFSU-UHFFFAOYSA-N	1	0	363.483	1.822	20	30		FDEDRO
N#Cc1ccccc1S(=O)(=O)N1CCC(CC[NH+]2CCOCC2)CC1	ZINC000371016584	677638854	/nfs/dbraw/zinc/63/88/54/677638854.db2.gz	FFXGTLIQYXAPJJ-UHFFFAOYSA-N	1	0	363.483	1.681	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1CCCN(CC(=O)NC(C)(C)C)CC1)OCC	ZINC000371061518	677643395	/nfs/dbraw/zinc/64/33/95/677643395.db2.gz	FTROTCXYZICLHW-INIZCTEOSA-N	1	0	353.507	1.807	20	30		FDEDRO
C=CCN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccnn1C	ZINC000372078744	677839575	/nfs/dbraw/zinc/83/95/75/677839575.db2.gz	ROGYFDMUFLMEBW-QGZVFWFLSA-N	1	0	360.483	1.871	20	30		FDEDRO
N#Cc1cccc(CS(=O)(=O)NCC2(N3CCOCC3)CCCC2)c1	ZINC000372286414	677886719	/nfs/dbraw/zinc/88/67/19/677886719.db2.gz	AVYAPJHNWXNLMP-UHFFFAOYSA-N	1	0	363.483	1.623	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@](COC)(C(=O)OCC)C2)CC1	ZINC000374061537	678071472	/nfs/dbraw/zinc/07/14/72/678071472.db2.gz	NXBMANAWSSRONB-IBGZPJMESA-N	1	0	350.459	1.150	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1	ZINC000374723243	678090302	/nfs/dbraw/zinc/09/03/02/678090302.db2.gz	XXFSRFQHWGOVSC-QGZVFWFLSA-N	1	0	365.499	1.503	20	30		FDEDRO
C[NH+]1CCC(Oc2ccc(CNS(=O)(=O)CCCC#N)cc2)CC1	ZINC000375194579	678097956	/nfs/dbraw/zinc/09/79/56/678097956.db2.gz	MHHXDVZERBEUJI-UHFFFAOYSA-N	1	0	351.472	1.883	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(Cc2cnc(C)s2)C[C@@H]1C	ZINC000375514189	678151762	/nfs/dbraw/zinc/15/17/62/678151762.db2.gz	NFFYJPWBFPKGNQ-WFASDCNBSA-N	1	0	365.503	1.263	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1	ZINC000423024770	680772692	/nfs/dbraw/zinc/77/26/92/680772692.db2.gz	MNPVXBOBDNSBAD-LBPRGKRZSA-N	1	0	371.890	1.492	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NC[C@H](c1cccs1)[NH+]1CCCC1	ZINC000409529460	678854479	/nfs/dbraw/zinc/85/44/79/678854479.db2.gz	OXBHNDYPJZHNFE-CQSZACIVSA-N	1	0	356.517	1.955	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C	ZINC000409558948	678859542	/nfs/dbraw/zinc/85/95/42/678859542.db2.gz	WUKCCYSTRBPYCZ-NVXWUHKLSA-N	1	0	352.504	1.475	20	30		FDEDRO
CC[C@H](CNS(=O)(=O)N(CC)CCC#N)[N@@H+]1CCc2ccccc2C1	ZINC000409591448	678865304	/nfs/dbraw/zinc/86/53/04/678865304.db2.gz	LOQXZVNXHUZBQT-GOSISDBHSA-N	1	0	364.515	1.893	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(F)c1	ZINC000409597385	678866682	/nfs/dbraw/zinc/86/66/82/678866682.db2.gz	MECGGYIBJCBTNN-OAHLLOKOSA-N	1	0	370.494	1.916	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1	ZINC000409598356	678866694	/nfs/dbraw/zinc/86/66/94/678866694.db2.gz	NXLGWUZFTHUKAA-CYBMUJFWSA-N	1	0	374.457	1.665	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000410151073	678886374	/nfs/dbraw/zinc/88/63/74/678886374.db2.gz	FGLHVDCCUSQVQJ-QGZVFWFLSA-N	1	0	350.488	1.721	20	30		FDEDRO
CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)[C@H]([NH3+])CCCC#N)c1	ZINC000424064897	680828017	/nfs/dbraw/zinc/82/80/17/680828017.db2.gz	KJOIURIITFXMLF-CQSZACIVSA-N	1	0	352.460	1.723	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1CCC(n2cc(Br)cn2)CC1	ZINC000424136451	680830468	/nfs/dbraw/zinc/83/04/68/680830468.db2.gz	KNGOJSLUIDMKCQ-CYBMUJFWSA-N	1	0	354.252	1.830	20	30		FDEDRO
CCOc1cc(C#N)cc(Cl)c1OC[C@H](O)CN1CC[NH+](C)CC1	ZINC000414149547	679332103	/nfs/dbraw/zinc/33/21/03/679332103.db2.gz	UVJLNGFNTJDTGP-CQSZACIVSA-N	1	0	353.850	1.597	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3CCO[C@H](C[NH3+])C3)n2)c(Cl)c1	ZINC000415447456	679432959	/nfs/dbraw/zinc/43/29/59/679432959.db2.gz	HLVQRZPGIMXMBE-GFCCVEGCSA-N	1	0	360.805	1.589	20	30		FDEDRO
CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000415446731	679432971	/nfs/dbraw/zinc/43/29/71/679432971.db2.gz	TXROCFDVYIKFLI-LLVKDONJSA-N	1	0	358.320	1.495	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@]2(C)CCC[NH2+]C2)cc1	ZINC000415603196	679462907	/nfs/dbraw/zinc/46/29/07/679462907.db2.gz	TWVUYZQPSRDATC-CXAGYDPISA-N	1	0	364.471	1.884	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000415619104	679466399	/nfs/dbraw/zinc/46/63/99/679466399.db2.gz	HEQZTDPTPRYZLH-RNCFNFMXSA-N	1	0	354.332	1.630	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1	ZINC000415645710	679470667	/nfs/dbraw/zinc/47/06/67/679470667.db2.gz	LTINKQUNDMPNMD-GHMZBOCLSA-N	1	0	352.341	1.484	20	30		FDEDRO
N#CCCSc1ccccc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1	ZINC000415752307	679492535	/nfs/dbraw/zinc/49/25/35/679492535.db2.gz	XCBKATWNXQKYIJ-KGLIPLIRSA-N	1	0	358.467	1.699	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000416370157	679588634	/nfs/dbraw/zinc/58/86/34/679588634.db2.gz	KJJXNMMFTOLROM-INIZCTEOSA-N	1	0	350.488	1.420	20	30		FDEDRO
C[N@H+]1CC=C(CNS(=O)(=O)c2cc(Br)ccc2C#N)CC1	ZINC000416453144	679628386	/nfs/dbraw/zinc/62/83/86/679628386.db2.gz	FTUKCAGAIVPZJD-UHFFFAOYSA-N	1	0	370.272	1.861	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(C#N)c(Br)c2)C1	ZINC000416498007	679640671	/nfs/dbraw/zinc/64/06/71/679640671.db2.gz	VRYVFNUMVFOUTB-JTQLQIEISA-N	1	0	358.261	1.551	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCC(F)(F)CN)CC2)cc1	ZINC000418520976	680080910	/nfs/dbraw/zinc/08/09/10/680080910.db2.gz	FOZABKCQCAZXBX-UHFFFAOYSA-N	1	0	351.401	1.370	20	30		FDEDRO
CC1(C)CN(C(=O)C(=O)NCCSCc2ccccc2C#N)CC[NH2+]1	ZINC000418928280	680155049	/nfs/dbraw/zinc/15/50/49/680155049.db2.gz	UVNSSCREEJIODO-UHFFFAOYSA-N	1	0	360.483	1.118	20	30		FDEDRO
C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cccc(C#N)c1Br	ZINC000419663986	680310693	/nfs/dbraw/zinc/31/06/93/680310693.db2.gz	IRUNTRZXPYFMDZ-JTQLQIEISA-N	1	0	367.247	1.716	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1)c1ccc(F)c(F)c1	ZINC000419678952	680318131	/nfs/dbraw/zinc/31/81/31/680318131.db2.gz	OUMYFMDZCUSKKO-RBOXIYTFSA-N	1	0	351.397	1.942	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C	ZINC000420046291	680394416	/nfs/dbraw/zinc/39/44/16/680394416.db2.gz	VQBAXYAPBPBJHP-TZMCWYRMSA-N	1	0	351.472	1.492	20	30		FDEDRO
C[C@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000420410941	680441919	/nfs/dbraw/zinc/44/19/19/680441919.db2.gz	ACICKASGEDVQGV-UWVGGRQHSA-N	1	0	358.261	1.679	20	30		FDEDRO
C[NH2+]C1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1	ZINC000420417581	680442869	/nfs/dbraw/zinc/44/28/69/680442869.db2.gz	KTSZCFNMQVIOFS-UHFFFAOYSA-N	1	0	358.261	1.693	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)NCC[C@H]1CCC[NH2+]1	ZINC000420436974	680450183	/nfs/dbraw/zinc/45/01/83/680450183.db2.gz	PIIYVHRVJNMZQF-SNVBAGLBSA-N	1	0	358.261	1.741	20	30		FDEDRO
C[C@@H]1[C@H](C)[NH2+]CCN1S(=O)(=O)c1cccc(Br)c1C#N	ZINC000420438947	680451518	/nfs/dbraw/zinc/45/15/18/680451518.db2.gz	WEIKGMWOXABHSR-VHSXEESVSA-N	1	0	358.261	1.692	20	30		FDEDRO
CC(C)C[C@H](C[NH3+])NS(=O)(=O)c1cccc(Br)c1C#N	ZINC000420443608	680453954	/nfs/dbraw/zinc/45/39/54/680453954.db2.gz	GJHNCBJPJBTJBW-SNVBAGLBSA-N	1	0	360.277	1.972	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1	ZINC000425208668	680884972	/nfs/dbraw/zinc/88/49/72/680884972.db2.gz	SPAPKWOQZRAHJJ-BPQIPLTHSA-N	1	0	362.499	1.529	20	30		FDEDRO
COCC(C)(C)[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000429258490	681028612	/nfs/dbraw/zinc/02/86/12/681028612.db2.gz	VWWJAJWRIVFBEE-OAHLLOKOSA-N	1	0	364.515	1.814	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C	ZINC000430382815	681074315	/nfs/dbraw/zinc/07/43/15/681074315.db2.gz	FAYGIILRVNHHTP-IAGOWNOFSA-N	1	0	353.507	1.661	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)c1	ZINC000430621579	681087220	/nfs/dbraw/zinc/08/72/20/681087220.db2.gz	DQCWMFFQUXCDOK-INIZCTEOSA-N	1	0	365.499	1.659	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2	ZINC000435681876	681623013	/nfs/dbraw/zinc/62/30/13/681623013.db2.gz	CKRUCIMKNRCNKQ-ZDUSSCGKSA-N	1	0	363.487	1.099	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000437330266	681781673	/nfs/dbraw/zinc/78/16/73/681781673.db2.gz	XTVSULWVHDNUGF-KRWDZBQOSA-N	1	0	350.488	1.531	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1	ZINC000437776609	681813162	/nfs/dbraw/zinc/81/31/62/681813162.db2.gz	PTLPTYAMRXEQFM-SQNIBIBYSA-N	1	0	352.523	1.540	20	30		FDEDRO
C[NH+](C)[C@@]1(CNS(=O)(=O)c2cccc(Cl)c2C#N)CCSC1	ZINC000443368350	682288259	/nfs/dbraw/zinc/28/82/59/682288259.db2.gz	FMTCIFMLVYCTFG-CQSZACIVSA-N	1	0	359.904	1.927	20	30		FDEDRO
Cc1cc(C[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)ccc1C#N	ZINC000443985621	682370522	/nfs/dbraw/zinc/37/05/22/682370522.db2.gz	HWMDUDIWVYBEAP-KRWDZBQOSA-N	1	0	351.472	1.445	20	30		FDEDRO
C[NH+](C)C[C@@](C)(O)CNC(=O)COc1ccc(C#N)c(Br)c1	ZINC000450206600	682744335	/nfs/dbraw/zinc/74/43/35/682744335.db2.gz	XHUYSSRAIIBENT-HNNXBMFYSA-N	1	0	370.247	1.128	20	30		FDEDRO
CC[C@@H](CO)[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000451155449	682829928	/nfs/dbraw/zinc/82/99/28/682829928.db2.gz	BMWKZBCATIFCID-LSDHHAIUSA-N	1	0	350.488	1.160	20	30		FDEDRO
CS[C@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1	ZINC000451320372	682861078	/nfs/dbraw/zinc/86/10/78/682861078.db2.gz	AAXCKNAMIVMCQS-LSDHHAIUSA-N	1	0	364.540	1.894	20	30		FDEDRO
CO[C@]1(C)C[C@@H]([NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1(C)C	ZINC000451483026	682887157	/nfs/dbraw/zinc/88/71/57/682887157.db2.gz	DQDHLEAFNMHCNP-GPMSIDNRSA-N	1	0	350.507	1.472	20	30		FDEDRO
CO[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000451628323	682908678	/nfs/dbraw/zinc/90/86/78/682908678.db2.gz	DVMMLGCGIPWBDX-BZUAXINKSA-N	1	0	362.499	1.614	20	30		FDEDRO
CC(C)(C)CC(C)(C)[NH+]1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1	ZINC000452020874	683004031	/nfs/dbraw/zinc/00/40/31/683004031.db2.gz	UECNZRCJTFJXOD-OAHLLOKOSA-N	1	0	372.535	1.288	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000453613047	683169824	/nfs/dbraw/zinc/16/98/24/683169824.db2.gz	NHJRGIZWBVMXBU-NEPJUHHUSA-N	1	0	363.849	1.782	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1)[NH+]1CCC(C)CC1	ZINC000453636485	683172615	/nfs/dbraw/zinc/17/26/15/683172615.db2.gz	LFQDKPCBRSYFPC-GFCCVEGCSA-N	1	0	363.849	1.782	20	30		FDEDRO
C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000453751539	683205343	/nfs/dbraw/zinc/20/53/43/683205343.db2.gz	SVPPZTZEFICUFL-AAEUAGOBSA-N	1	0	361.833	1.630	20	30		FDEDRO
C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453762621	683208379	/nfs/dbraw/zinc/20/83/79/683208379.db2.gz	UQJKHBAXXDMZRK-UHFFFAOYSA-N	1	0	352.822	1.039	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](CC(C)(C)C(N)=O)C2)CC1	ZINC000454535999	683331093	/nfs/dbraw/zinc/33/10/93/683331093.db2.gz	GAGNPOXNJSJLJA-OAHLLOKOSA-N	1	0	350.507	1.960	20	30		FDEDRO
C=CC[C@@H](C)NC(=O)N1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1	ZINC000454534463	683331354	/nfs/dbraw/zinc/33/13/54/683331354.db2.gz	UNSCUSAYEHPBJN-SJLPKXTDSA-N	1	0	350.507	1.927	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1	ZINC000459826233	684464556	/nfs/dbraw/zinc/46/45/56/684464556.db2.gz	WLYFFDNCJDTERZ-INIZCTEOSA-N	1	0	350.507	1.038	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000459909808	684483518	/nfs/dbraw/zinc/48/35/18/684483518.db2.gz	QKYZQYAMWSMTOR-HZPDHXFCSA-N	1	0	351.491	1.369	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1	ZINC000461908830	684601879	/nfs/dbraw/zinc/60/18/79/684601879.db2.gz	RHOJBMMXPKRGLP-WCQYABFASA-N	1	0	350.400	1.133	20	30		FDEDRO
CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCC2)cc1	ZINC000469794679	684986648	/nfs/dbraw/zinc/98/66/48/684986648.db2.gz	URRWRCPDJWKKAE-CHWSQXEVSA-N	1	0	364.471	1.196	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)cc1Cl	ZINC000471163650	685114176	/nfs/dbraw/zinc/11/41/76/685114176.db2.gz	ZFMKOOXPCXZYBU-CYBMUJFWSA-N	1	0	370.862	1.293	20	30		FDEDRO
CC(C)[N@H+](C)CCNC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1	ZINC000481046276	686285710	/nfs/dbraw/zinc/28/57/10/686285710.db2.gz	ZMYSSWIMIXNRTQ-CYBMUJFWSA-N	1	0	352.460	1.834	20	30		FDEDRO
CS[C@H]1CN(CC(=O)NCc2cccc(C#N)c2)C[C@H]1[NH+]1CCCC1	ZINC000484614614	686614151	/nfs/dbraw/zinc/61/41/51/686614151.db2.gz	KLELOCYFEBOCLS-MSOLQXFVSA-N	1	0	358.511	1.686	20	30		FDEDRO
C=CCSc1ccccc1NC(=O)CN1CCN([C@@H]2CC[NH2+]C2)CC1	ZINC000489862826	687118104	/nfs/dbraw/zinc/11/81/04/687118104.db2.gz	YKGOCTCWKPJSES-MRXNPFEDSA-N	1	0	360.527	1.883	20	30		FDEDRO
C[C@@H]1OCC[C@@]1(C)[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000494270604	687516233	/nfs/dbraw/zinc/51/62/33/687516233.db2.gz	IUROTWAMVMEXSP-HDMKZQKVSA-N	1	0	362.499	1.614	20	30		FDEDRO
CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)C1	ZINC000499352408	687942063	/nfs/dbraw/zinc/94/20/63/687942063.db2.gz	QAFHNDDDAPHBOR-SJORKVTESA-N	1	0	350.507	1.965	20	30		FDEDRO
C=CCc1cc(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc(OC)c1O	ZINC000500492947	688092915	/nfs/dbraw/zinc/09/29/15/688092915.db2.gz	CTYHKTFCGNVEIM-HZPDHXFCSA-N	1	0	368.499	1.937	20	30		FDEDRO
CC[NH+](CC)C[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1	ZINC000501232075	688163464	/nfs/dbraw/zinc/16/34/64/688163464.db2.gz	WCDCHKYRJIZDJD-AWEZNQCLSA-N	1	0	366.487	1.025	20	30		FDEDRO
CSC[C@@H](C)NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000505544470	688507832	/nfs/dbraw/zinc/50/78/32/688507832.db2.gz	DMYJNRVQRFAXBG-CQSZACIVSA-N	1	0	362.499	1.316	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2cnc(CCOCCOC)[nH]2)CC1	ZINC000515066392	689810683	/nfs/dbraw/zinc/81/06/83/689810683.db2.gz	RCFHVTRXZYSGBD-UHFFFAOYSA-N	1	0	350.463	1.386	20	30		FDEDRO
C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)NC1C[NH2+]C1	ZINC000515145782	689819994	/nfs/dbraw/zinc/81/99/94/689819994.db2.gz	CPWPAFXDUVMZBJ-UHFFFAOYSA-N	1	0	370.222	1.191	20	30		FDEDRO
C[C@@H](C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1)n1cnc(C#N)n1	ZINC000515305335	689839106	/nfs/dbraw/zinc/83/91/06/689839106.db2.gz	UGXPHFSNESFHFF-GXTWGEPZSA-N	1	0	360.849	1.826	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@H]3C[NH2+]CCC3(F)F)C2)nc1	ZINC000517225736	690046521	/nfs/dbraw/zinc/04/65/21/690046521.db2.gz	HOXMXBWUMNVULW-OLZOCXBDSA-N	1	0	351.357	1.113	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O	ZINC000519535256	690217497	/nfs/dbraw/zinc/21/74/97/690217497.db2.gz	HBVRZJVAJBGJFB-GOEBONIOSA-N	1	0	364.877	1.631	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1	ZINC000528059129	694698864	/nfs/dbraw/zinc/69/88/64/694698864.db2.gz	DCGXMHKWSWIDAU-QGZVFWFLSA-N	1	0	363.483	1.646	20	30		FDEDRO
COC[C@@](C)(CO)[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000639955959	695518878	/nfs/dbraw/zinc/51/88/78/695518878.db2.gz	BNHGBQGSGLDZNK-MRXNPFEDSA-N	1	0	358.360	1.160	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)OCC	ZINC000641668461	696193908	/nfs/dbraw/zinc/19/39/08/696193908.db2.gz	AHVNKBDUTKSVPN-MSOLQXFVSA-N	1	0	353.507	1.271	20	30		FDEDRO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncccc2C#N)CC1	ZINC001164825813	720292816	/nfs/dbraw/zinc/29/28/16/720292816.db2.gz	TZVFESDHXNRDQZ-MSOLQXFVSA-N	1	0	353.470	1.865	20	30		FDEDRO
N#Cc1cnc(Cl)cc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164738301	720628659	/nfs/dbraw/zinc/62/86/59/720628659.db2.gz	BUANUJKYEQXKOB-KGLIPLIRSA-N	1	0	356.817	1.739	20	30		FDEDRO
Cc1nc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1C#N	ZINC001164740051	720701575	/nfs/dbraw/zinc/70/15/75/720701575.db2.gz	PJOMRESGXQBXEJ-OLZOCXBDSA-N	1	0	371.832	1.442	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3ncc4c(C#N)c[nH]c4n3)CC[C@@H]2C1	ZINC001164862175	720868618	/nfs/dbraw/zinc/86/86/18/720868618.db2.gz	ZJVYCHLLDPRIDA-CJNGLKHVSA-N	1	0	356.430	1.003	20	30		FDEDRO
N#Cc1c(Cl)ncnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164866527	721062687	/nfs/dbraw/zinc/06/26/87/721062687.db2.gz	FASRNYBVPXYIMF-GJZGRUSLSA-N	1	0	370.844	1.876	20	30		FDEDRO
COc1nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)ncc1C#N	ZINC001164773070	721096219	/nfs/dbraw/zinc/09/62/19/721096219.db2.gz	WAJAOTJHYTUSNG-GOEBONIOSA-N	1	0	353.430	1.049	20	30		FDEDRO
CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc(CC#N)ccn3)CC2)C1	ZINC001164872768	721280316	/nfs/dbraw/zinc/28/03/16/721280316.db2.gz	FTFJLZNRZMBZNO-UHFFFAOYSA-N	1	0	371.485	1.155	20	30		FDEDRO
N#Cc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cn1	ZINC001164982288	722104398	/nfs/dbraw/zinc/10/43/98/722104398.db2.gz	NDNNVVQNENDCNB-FUHWJXTLSA-N	1	0	350.426	1.471	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087204075	782264275	/nfs/dbraw/zinc/26/42/75/782264275.db2.gz	HKFUHJYPRCUQGH-AYOQOUSVSA-N	1	0	368.481	1.896	20	30		FDEDRO
C=CCCn1cc(CN[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)nn1	ZINC000657371636	782347393	/nfs/dbraw/zinc/34/73/93/782347393.db2.gz	XUIGYRVMTWJKDO-QUCCMNQESA-N	1	0	355.486	1.827	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCOC)C[C@H]21	ZINC001114948337	782375061	/nfs/dbraw/zinc/37/50/61/782375061.db2.gz	BHOFOYKUZMGETH-AVEIZBFRSA-N	1	0	352.475	1.067	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)nn2C)C[C@H]1c1ccccc1	ZINC001211541734	782484177	/nfs/dbraw/zinc/48/41/77/782484177.db2.gz	FJBSDHVSJJZNIP-RBUKOAKNSA-N	1	0	366.465	1.576	20	30		FDEDRO
CC[C@@H](CO)Nc1cc(N2CCN(c3ccc(C#N)cc3F)CC2)ncn1	ZINC000892254303	782525410	/nfs/dbraw/zinc/52/54/10/782525410.db2.gz	OMFDPBYXFHOTRW-HNNXBMFYSA-N	1	0	370.432	1.997	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C1	ZINC001022717563	782553855	/nfs/dbraw/zinc/55/38/55/782553855.db2.gz	DOKQFYHUOTVJBN-ZIFCJYIRSA-N	1	0	370.497	1.831	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3CCN(C(=O)C[N@H+]4CC[C@H](C)C4)[C@@H]3C2)c1	ZINC001022719862	782587158	/nfs/dbraw/zinc/58/71/58/782587158.db2.gz	COXJJTDSDBWWRQ-VDZJLULYSA-N	1	0	366.465	1.078	20	30		FDEDRO
C=C1CCC(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)CC1	ZINC001087208704	782687490	/nfs/dbraw/zinc/68/74/90/782687490.db2.gz	SQWMWRWRAFACOA-ZBFHGGJFSA-N	1	0	361.490	1.572	20	30		FDEDRO
C[NH+]1CCC(CNc2ccc([N+](=O)[O-])c(C#N)c2)(N2CCOCC2)CC1	ZINC000413477871	782700108	/nfs/dbraw/zinc/70/01/08/782700108.db2.gz	HMQMYWVRHIMRGH-UHFFFAOYSA-N	1	0	359.430	1.675	20	30		FDEDRO
CC#CCCNC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1	ZINC000784903597	769017625	/nfs/dbraw/zinc/01/76/25/769017625.db2.gz	XKUGQRPCFYYESF-UHFFFAOYSA-N	1	0	356.470	1.685	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CCC(C)C)NC(C)=O)C1	ZINC001211495668	769879546	/nfs/dbraw/zinc/87/95/46/769879546.db2.gz	SHGQTABDVWEUOT-BPQIPLTHSA-N	1	0	351.491	1.014	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(F)c[nH]1)C2	ZINC001112475547	769910434	/nfs/dbraw/zinc/91/04/34/769910434.db2.gz	KZVWIJIQMJZYAI-NJSLBKSFSA-N	1	0	360.433	1.124	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCO[C@@H]3C[N@@H+](C[C@@H]4CC(C)(C)CO4)C[C@@H]32)c1	ZINC001083188191	769981125	/nfs/dbraw/zinc/98/11/25/769981125.db2.gz	IVCRBQXSYVNOIC-GBESFXJTSA-N	1	0	369.465	1.403	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCc3ccccc3NC2=O)C1	ZINC001022737126	782800135	/nfs/dbraw/zinc/80/01/35/782800135.db2.gz	QDIFGURTBRMFCE-LHHMMCJZSA-N	1	0	369.465	1.768	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)N2CCOC3(CC[NH+](C)CC3)C2)c1	ZINC000646889327	770066866	/nfs/dbraw/zinc/06/68/66/770066866.db2.gz	JXYNYZFGDJPAMX-UHFFFAOYSA-N	1	0	373.453	1.513	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](NC(=O)c2c(C)cc(C)nc2C)[C@@H](O)C1	ZINC000969600820	770516602	/nfs/dbraw/zinc/51/66/02/770516602.db2.gz	IFACPAPXFZQYME-GUXCAODWSA-N	1	0	359.470	1.911	20	30		FDEDRO
C[C@@H](NC(=O)[C@H]1C[C@@H](C)CC(=O)N1)C1C[NH+](Cc2cccc(C#N)c2)C1	ZINC000969688151	770653532	/nfs/dbraw/zinc/65/35/32/770653532.db2.gz	SXBIVVPHSIRTDB-HBUWYVDXSA-N	1	0	354.454	1.409	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2c(C)nn(C)c2Cl)C1	ZINC001020604672	770982103	/nfs/dbraw/zinc/98/21/03/770982103.db2.gz	JNGWOHDAZDTWOU-BHPKHCPMSA-N	1	0	352.866	1.710	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H]3CN(Cc4ccc(C#N)cc4)C[C@@H]32)C1	ZINC001083192996	771018570	/nfs/dbraw/zinc/01/85/70/771018570.db2.gz	XLVKJHWEEGCTCM-LSTHTHJFSA-N	1	0	368.481	1.312	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2CCC)CC1	ZINC000969920956	771064862	/nfs/dbraw/zinc/06/48/62/771064862.db2.gz	WRHCXAFJVHEOCG-YSTOQKLRSA-N	1	0	371.525	1.970	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](O)C1	ZINC000969958774	771119694	/nfs/dbraw/zinc/11/96/94/771119694.db2.gz	XTKJHDAZODYWKD-JONQDZQNSA-N	1	0	351.491	1.007	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc(C3CC3)n2C)C1	ZINC001020729260	771311081	/nfs/dbraw/zinc/31/10/81/771311081.db2.gz	XTRBUWHBZHAJNB-JKQORVJESA-N	1	0	359.474	1.411	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1	ZINC000430373631	771706911	/nfs/dbraw/zinc/70/69/11/771706911.db2.gz	FWUITNTVNIODMT-ROUUACIJSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCC(=C)C)C[C@H]1C	ZINC001104245759	771778732	/nfs/dbraw/zinc/77/87/32/771778732.db2.gz	ZGRPAEDOVFEWPG-HZPDHXFCSA-N	1	0	364.490	1.429	20	30		FDEDRO
Cc1cccc(C)c1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104246904	771806256	/nfs/dbraw/zinc/80/62/56/771806256.db2.gz	MKNITPKBLONRNY-QZTJIDSGSA-N	1	0	370.497	1.560	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]Cc2ccn(C)c(=O)c2)CC1	ZINC001167273761	771847276	/nfs/dbraw/zinc/84/72/76/771847276.db2.gz	AACKOLWKIORZCF-SJORKVTESA-N	1	0	359.470	1.353	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+][C@@H](C)C(=O)NCCCC)CC1	ZINC001167277437	771855996	/nfs/dbraw/zinc/85/59/96/771855996.db2.gz	KHCYMFAERKBQSL-BBWFWOEESA-N	1	0	365.518	1.758	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1	ZINC000430415228	771858605	/nfs/dbraw/zinc/85/86/05/771858605.db2.gz	FILIZRMGFKSDLF-DLBZAZTESA-N	1	0	365.518	1.664	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)C2	ZINC001112481141	771872310	/nfs/dbraw/zinc/87/23/10/771872310.db2.gz	FPZRXLSNWUZYTO-OAZSGXBTSA-N	1	0	358.482	1.278	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1	ZINC000430417518	771872388	/nfs/dbraw/zinc/87/23/88/771872388.db2.gz	VAAPLAFWVIBBFW-KURKYZTESA-N	1	0	363.502	1.274	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)OCC)C[C@H]1c1ccccc1	ZINC001211547750	782975493	/nfs/dbraw/zinc/97/54/93/782975493.db2.gz	BNPFVIDHXVITCW-OTWHNJEPSA-N	1	0	371.481	1.135	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](NCc2ncnn2CC(C)C)C1	ZINC000970242121	772185171	/nfs/dbraw/zinc/18/51/71/772185171.db2.gz	SRHAQJHKQKTWCL-RYRKJORJSA-N	1	0	361.490	1.606	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](NCc2nnnn2CCCC)C1	ZINC000970242199	772185186	/nfs/dbraw/zinc/18/51/86/772185186.db2.gz	VNTZPAPCIZPQGV-VYDXJSESSA-N	1	0	362.478	1.145	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1	ZINC000972236866	782991276	/nfs/dbraw/zinc/99/12/76/782991276.db2.gz	JJJIFMPKYDVHIN-SOLBZPMBSA-N	1	0	356.470	1.299	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@H]2O)C1	ZINC000970403121	772567300	/nfs/dbraw/zinc/56/73/00/772567300.db2.gz	MZNQOSUQHZPBBC-IKGGRYGDSA-N	1	0	363.502	1.151	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)/C(C)=C/CC)C[C@H]1c1ccccc1	ZINC001211549082	783027429	/nfs/dbraw/zinc/02/74/29/783027429.db2.gz	AXXHLPZCFPWOJW-ZMLPJBHDSA-N	1	0	353.466	1.676	20	30		FDEDRO
C[C@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C1C[NH+](Cc2ccc(C#N)cc2)C1	ZINC000970432532	772625316	/nfs/dbraw/zinc/62/53/16/772625316.db2.gz	ABQNXTKZBQTNOC-XKQJLSEDSA-N	1	0	354.454	1.396	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2scnc2CC)C[C@H]1C	ZINC001104270836	772670213	/nfs/dbraw/zinc/67/02/13/772670213.db2.gz	SPYWZHHVJBUVOA-ZIAGYGMSSA-N	1	0	364.515	1.696	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C)c(C)cn1)C2	ZINC001112484552	772677359	/nfs/dbraw/zinc/67/73/59/772677359.db2.gz	WOSAPEKSVSRSBW-UWJYYQICSA-N	1	0	368.481	1.280	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C)(C)CC(F)F)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104281208	772762068	/nfs/dbraw/zinc/76/20/68/772762068.db2.gz	KGLZTJCKJPUAOI-CHWSQXEVSA-N	1	0	358.433	1.382	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCCS(C)(=O)=O)C2)CCC1	ZINC001104281274	772762584	/nfs/dbraw/zinc/76/25/84/772762584.db2.gz	MYSZGHRRJJFZDH-IAGOWNOFSA-N	1	0	368.543	1.689	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnc3nccn3c2)C[C@H]1C	ZINC001104419646	783064772	/nfs/dbraw/zinc/06/47/72/783064772.db2.gz	WSBMDKKEGFEWKS-HZPDHXFCSA-N	1	0	355.442	1.067	20	30		FDEDRO
CCO[C@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1)C(C)C	ZINC001104287041	773047214	/nfs/dbraw/zinc/04/72/14/773047214.db2.gz	RPDRIUDZGZOKPR-BRWVUGGUSA-N	1	0	366.506	1.152	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1C(=O)N1CCCN(CC(=O)N2CCCC2)CC1	ZINC000892268785	783066121	/nfs/dbraw/zinc/06/61/21/783066121.db2.gz	SUWNKNCZXLXTPC-UHFFFAOYSA-N	1	0	368.481	1.945	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2cnc(C)o2)C[C@H]1C	ZINC001104287979	773075590	/nfs/dbraw/zinc/07/55/90/773075590.db2.gz	OLWQJEPUZOAQNV-IIAWOOMASA-N	1	0	362.474	1.290	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)c4ccn(C)c4)[C@@H]3C2)CC1	ZINC001021386024	773124819	/nfs/dbraw/zinc/12/48/19/773124819.db2.gz	MAUQZALLFCVEHB-PKOBYXMFSA-N	1	0	368.481	1.043	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)[C@@H](O)C2)CC1	ZINC000970656372	773202592	/nfs/dbraw/zinc/20/25/92/773202592.db2.gz	PEWPGYBNGHKOEO-SJORKVTESA-N	1	0	363.502	1.153	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1	ZINC001021425974	773303279	/nfs/dbraw/zinc/30/32/79/773303279.db2.gz	HXDWMZDDEUDQEC-RRQGHBQHSA-N	1	0	355.442	1.044	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2ccsc2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104292295	773855174	/nfs/dbraw/zinc/85/51/74/773855174.db2.gz	SYQXRXFJSFAODM-GDBMZVCRSA-N	1	0	362.499	1.395	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC2CC2)C1	ZINC001104293825	773873788	/nfs/dbraw/zinc/87/37/88/773873788.db2.gz	GYCYAYRIBALJCE-HZPDHXFCSA-N	1	0	358.486	1.641	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn(C)nc1[C@@H]1CCOC1)C2	ZINC001112494388	773936419	/nfs/dbraw/zinc/93/64/19/773936419.db2.gz	RVPOUDWWCBLCOL-GUXCAODWSA-N	1	0	356.470	1.389	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCNC(=O)CC1)C2	ZINC001112494361	773936459	/nfs/dbraw/zinc/93/64/59/773936459.db2.gz	QKNQJDUTWLXZDG-ZWOKBUDYSA-N	1	0	363.502	1.324	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn(C)nc1[C@@H]1CCOC1)C2	ZINC001112494670	773938743	/nfs/dbraw/zinc/93/87/43/773938743.db2.gz	VPNYWPUMQOHMSX-WWMYMODYSA-N	1	0	370.497	1.779	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C	ZINC000891245748	774081643	/nfs/dbraw/zinc/08/16/43/774081643.db2.gz	IQBSIASOTYNXQJ-OALUTQOASA-N	1	0	360.502	1.942	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)OCCC(C)C)C2	ZINC001111488257	774185794	/nfs/dbraw/zinc/18/57/94/774185794.db2.gz	DFPICSAIVRKHSJ-HZMVEIRTSA-N	1	0	351.491	1.461	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C[C@H]1C	ZINC001104305927	774434390	/nfs/dbraw/zinc/43/43/90/774434390.db2.gz	ACSHUKRZIQUDCN-LFGUQSLTSA-N	1	0	372.513	1.985	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CCC1	ZINC000275909025	774480914	/nfs/dbraw/zinc/48/09/14/774480914.db2.gz	VCZQXIOMHBRXGZ-UHFFFAOYSA-N	1	0	366.368	1.699	20	30		FDEDRO
COc1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1-n1nnnc1C	ZINC000328748299	774622971	/nfs/dbraw/zinc/62/29/71/774622971.db2.gz	LYYGFQJSCSINRI-CABCVRRESA-N	1	0	371.445	1.741	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCN2c2ncccn2)C[C@H]1C	ZINC001104314276	774698590	/nfs/dbraw/zinc/69/85/90/774698590.db2.gz	MYGVTWRSUVBNAZ-KZNAEPCWSA-N	1	0	355.486	1.543	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1	ZINC000785026531	774711120	/nfs/dbraw/zinc/71/11/20/774711120.db2.gz	GAGMBANDQOHLIN-MAUKXSAKSA-N	1	0	355.438	1.580	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000275942077	774736323	/nfs/dbraw/zinc/73/63/23/774736323.db2.gz	XICQCFODSBTYNT-OAHLLOKOSA-N	1	0	371.441	1.610	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](CC)[C@@H]2CCCCO2)CC1	ZINC000656311381	774907783	/nfs/dbraw/zinc/90/77/83/774907783.db2.gz	MGJOZQKAULWYNQ-SJORKVTESA-N	1	0	351.491	1.607	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3cc[nH]c3n2)C[C@H]1C	ZINC001104322445	774949036	/nfs/dbraw/zinc/94/90/36/774949036.db2.gz	KKLJBXIUBWBBGQ-NVXWUHKLSA-N	1	0	354.454	1.901	20	30		FDEDRO
COc1cncc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cc(C#N)c[nH]2)n1	ZINC001087143707	775205125	/nfs/dbraw/zinc/20/51/25/775205125.db2.gz	LBJDMSXFZALGCT-CJNGLKHVSA-N	1	0	368.441	1.715	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1CC[NH2+]Cc1ccccc1C#N	ZINC001104329724	775353624	/nfs/dbraw/zinc/35/36/24/775353624.db2.gz	YGFRHFYELKJTFB-ATZDWAIDSA-N	1	0	368.481	1.801	20	30		FDEDRO
C#CCN(C(=O)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1)C1CC1	ZINC000276050982	775546087	/nfs/dbraw/zinc/54/60/87/775546087.db2.gz	MVTVUOXURCBCOX-UHFFFAOYSA-N	1	0	357.454	1.970	20	30		FDEDRO
N#CCCCOc1cccnc1NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000276106665	775887686	/nfs/dbraw/zinc/88/76/86/775887686.db2.gz	TVKLQCCLMXTZLV-MRXNPFEDSA-N	1	0	373.457	1.950	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc3cccn3cn2)C[C@H]1C	ZINC001104342258	775902579	/nfs/dbraw/zinc/90/25/79/775902579.db2.gz	IQRRFICHQVXSNF-HZPDHXFCSA-N	1	0	369.469	1.324	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@@H](C)c2ccncc2)C[C@H]1C	ZINC001104346794	776058328	/nfs/dbraw/zinc/05/83/28/776058328.db2.gz	JIUFRXAIPWLVGD-ZHALLVOQSA-N	1	0	370.497	1.399	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)COCc2ccnc(OC)c2)C[C@H]1C	ZINC001104348789	776302937	/nfs/dbraw/zinc/30/29/37/776302937.db2.gz	VEORFXRIRYEMCR-SJLPKXTDSA-N	1	0	359.470	1.704	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@@H](F)C(C)C)C[C@H]32)CC1	ZINC001021883986	776490196	/nfs/dbraw/zinc/49/01/96/776490196.db2.gz	QIAUDARQJIFDOC-KSZLIROESA-N	1	0	363.477	1.385	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)c4coc(C)c4)C[C@H]32)CC1	ZINC001021884251	776498322	/nfs/dbraw/zinc/49/83/22/776498322.db2.gz	VEDDGQXITOQKKZ-PKOBYXMFSA-N	1	0	369.465	1.606	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H]2COCCO2)C1	ZINC001075419048	776502162	/nfs/dbraw/zinc/50/21/62/776502162.db2.gz	PDJGDZOGEXIQEY-BHIYHBOVSA-N	1	0	362.445	1.949	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)Cc2ccc(C(N)=O)nc2)C[C@H]1C	ZINC001104352246	776605312	/nfs/dbraw/zinc/60/53/12/776605312.db2.gz	LMNKHAIFNDQITB-IUODEOHRSA-N	1	0	364.877	1.550	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)C#CC2CC2)CC[N@@H+]1C	ZINC000973616766	790506060	/nfs/dbraw/zinc/50/60/60/790506060.db2.gz	CQTRZFKEYBDSQO-HDDXRBDOSA-N	1	0	357.498	1.768	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@@H](C)n2ccnc2)C[C@H]1C	ZINC001104738263	790511508	/nfs/dbraw/zinc/51/15/08/790511508.db2.gz	NXEMDPZDFZUFAZ-BRWVUGGUSA-N	1	0	361.490	1.211	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCn3cncc3C2)C[C@H]1C	ZINC001104363844	777489608	/nfs/dbraw/zinc/48/96/08/777489608.db2.gz	KQDCBEYUTVDYMC-KZNAEPCWSA-N	1	0	360.502	1.722	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)c2coc(S(N)(=O)=O)c2)C[C@H]1C	ZINC001104364003	777491955	/nfs/dbraw/zinc/49/19/55/777491955.db2.gz	SGDLNZACDMFHMM-ZIAGYGMSSA-N	1	0	369.487	1.581	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@H]([N@H+](C)Cc3cccc(C#N)c3)C2)C1	ZINC000971548806	777553389	/nfs/dbraw/zinc/55/33/89/777553389.db2.gz	AGGNIRZAFCEQCI-FHLIZLRMSA-N	1	0	354.454	1.506	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)C[C@H]1C	ZINC001104365294	777770101	/nfs/dbraw/zinc/77/01/01/777770101.db2.gz	DKAFVHQLBZOVJP-OAGGEKHMSA-N	1	0	361.490	1.587	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+]C3([C@@H]4CCCCO4)CC3)CC2)o1	ZINC000933372485	777783976	/nfs/dbraw/zinc/78/39/76/777783976.db2.gz	FFMNIAWUWCCBQY-INIZCTEOSA-N	1	0	373.457	1.195	20	30		FDEDRO
C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(CC#N)CC[C@@H]2c2ccc(F)cc2)C1	ZINC001075424514	777986924	/nfs/dbraw/zinc/98/69/24/777986924.db2.gz	PUUFZJWYNWVEJR-ZHALLVOQSA-N	1	0	358.461	1.823	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C#CC2CC2)[C@H](C[NH2+]CC2CCS(=O)(=O)CC2)C1	ZINC001087164800	778106124	/nfs/dbraw/zinc/10/61/24/778106124.db2.gz	PYQJWMROXUBMNO-QAPCUYQASA-N	1	0	366.527	1.441	20	30		FDEDRO
C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]CC(=O)NCCC#N	ZINC000933436310	778124740	/nfs/dbraw/zinc/12/47/40/778124740.db2.gz	CMJCQMXWODACIN-HNNXBMFYSA-N	1	0	354.248	1.362	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1	ZINC001022196628	778545329	/nfs/dbraw/zinc/54/53/29/778545329.db2.gz	YUKLFMUECOOIPE-NSHGMRRFSA-N	1	0	355.482	1.334	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CCC(=O)N1C)C2	ZINC001112507101	778729059	/nfs/dbraw/zinc/72/90/59/778729059.db2.gz	WYNFSTDMJOCJCW-ZWOKBUDYSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C(=O)NC)cc1	ZINC001111489810	778925668	/nfs/dbraw/zinc/92/56/68/778925668.db2.gz	LOFRSMBJZYRHBJ-AXUOBQJMSA-N	1	0	371.481	1.859	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(C#N)ccc3F)C2)O1	ZINC001022276837	779087893	/nfs/dbraw/zinc/08/78/93/779087893.db2.gz	RCNGLOAVAZIDGD-GMLZMKKNSA-N	1	0	360.433	1.153	20	30		FDEDRO
CC(C)(CNC(=O)C(=O)Nc1cccc(OCC#N)c1)C[NH+]1CCCC1	ZINC000276742484	779274921	/nfs/dbraw/zinc/27/49/21/779274921.db2.gz	GLPUAUZXRHMBIA-UHFFFAOYSA-N	1	0	358.442	1.766	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1c1ccccc1	ZINC001211524703	779353293	/nfs/dbraw/zinc/35/32/93/779353293.db2.gz	WUMOXECCZDAEBY-FUHWJXTLSA-N	1	0	368.437	1.583	20	30		FDEDRO
C[NH+](C)CCN1CCC(NC(=O)N2CCC3(CC2)CC(=O)C=CO3)CC1	ZINC000891804405	779503069	/nfs/dbraw/zinc/50/30/69/779503069.db2.gz	VANZUQQOVXMXDN-UHFFFAOYSA-N	1	0	364.490	1.060	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CNC(=O)NCC#C[C@@H]2CCCCO2)cc1	ZINC000891815785	779549967	/nfs/dbraw/zinc/54/99/67/779549967.db2.gz	DRTAKQBRCKOBOB-SFHVURJKSA-N	1	0	359.470	1.999	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CC=CCC1)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1	ZINC000261979766	779952482	/nfs/dbraw/zinc/95/24/82/779952482.db2.gz	OPOLRFGKMJJXNT-ZWKOTPCHSA-N	1	0	361.534	1.547	20	30		FDEDRO
CC1CC[NH+](CC(=O)N2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)CC1	ZINC000971848468	779966830	/nfs/dbraw/zinc/96/68/30/779966830.db2.gz	XGKXGDFVVZINLK-CRAIPNDOSA-N	1	0	369.469	1.291	20	30		FDEDRO
N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC=CCC2)C[C@H]1c1ccccc1	ZINC001211526578	780011212	/nfs/dbraw/zinc/01/12/12/780011212.db2.gz	LHJCVPIDFBJALQ-GBESFXJTSA-N	1	0	366.465	1.567	20	30		FDEDRO
CC(C)(CNC(=O)N1CCN(c2ncccc2C#N)CC1)C[NH+]1CCCC1	ZINC000276932053	780190050	/nfs/dbraw/zinc/19/00/50/780190050.db2.gz	SJNASEMIJVSJNV-UHFFFAOYSA-N	1	0	370.501	1.907	20	30		FDEDRO
CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000276933400	780199977	/nfs/dbraw/zinc/19/99/77/780199977.db2.gz	TZFLMUNYNSAFBU-GOSISDBHSA-N	1	0	369.469	1.396	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1	ZINC000971872638	780352908	/nfs/dbraw/zinc/35/29/08/780352908.db2.gz	CXCCSIDMKNRDRR-FHLIZLRMSA-N	1	0	369.469	1.434	20	30		FDEDRO
C=CCOCCNC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-]	ZINC000934037569	780654290	/nfs/dbraw/zinc/65/42/90/780654290.db2.gz	GMRHLYHLVVUEQG-UHFFFAOYSA-N	1	0	363.418	1.671	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@H]2O)CC1	ZINC001025490584	790837378	/nfs/dbraw/zinc/83/73/78/790837378.db2.gz	FCMPOOOLECIEAK-BSDSXHPESA-N	1	0	363.502	1.151	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@H]1c1ccccc1	ZINC001211534082	781023387	/nfs/dbraw/zinc/02/33/87/781023387.db2.gz	PTKYSRFVYYUCJA-OTWHNJEPSA-N	1	0	360.454	1.189	20	30		FDEDRO
C#CCC(CC#C)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1	ZINC000277297243	781378718	/nfs/dbraw/zinc/37/87/18/781378718.db2.gz	ARNOKUYOLPUKMF-GOSISDBHSA-N	1	0	351.450	1.985	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1	ZINC000668582757	781475206	/nfs/dbraw/zinc/47/52/06/781475206.db2.gz	ZWUHLXARXZIJAK-KURKYZTESA-N	1	0	364.534	1.237	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC2CCN(c3cccnn3)CC2)CC1	ZINC000277364709	781580654	/nfs/dbraw/zinc/58/06/54/781580654.db2.gz	BESIDWIPVKNRDM-UHFFFAOYSA-N	1	0	358.490	1.785	20	30		FDEDRO
N#Cc1csc(CNC(=O)NC2CC[NH+](Cc3ccncc3)CC2)n1	ZINC000892130339	781689923	/nfs/dbraw/zinc/68/99/23/781689923.db2.gz	KXJYLINICDSGPM-UHFFFAOYSA-N	1	0	356.455	1.874	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3CN(C(=O)C[C@@H]4CC[N@@H+](C)C4)C[C@H]32)c1	ZINC001022634688	781690011	/nfs/dbraw/zinc/69/00/11/781690011.db2.gz	CSTKUXDTXOPJKN-JENIJYKNSA-N	1	0	366.465	1.078	20	30		FDEDRO
C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC000972348566	783394207	/nfs/dbraw/zinc/39/42/07/783394207.db2.gz	LEFSOWZPLGCGGN-FGTMMUONSA-N	1	0	354.454	1.493	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C[C@H]2O)C1	ZINC001025521230	790940571	/nfs/dbraw/zinc/94/05/71/790940571.db2.gz	DTVNBEYVFNZIQZ-BRWVUGGUSA-N	1	0	363.502	1.151	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2cnc(OC)nc2C)C1	ZINC000972374391	783522307	/nfs/dbraw/zinc/52/23/07/783522307.db2.gz	SNOPDPXNOOBLQN-BBWFWOEESA-N	1	0	360.458	1.417	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cncn2C)C[C@H]1c1ccccc1	ZINC001211629184	783675700	/nfs/dbraw/zinc/67/57/00/783675700.db2.gz	CFOJXACXNBGSOY-ZWKOTPCHSA-N	1	0	352.438	1.268	20	30		FDEDRO
CCCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CNC(=O)N1)C2	ZINC001112519288	783804749	/nfs/dbraw/zinc/80/47/49/783804749.db2.gz	CRGITZGIDGFPHG-BXWFABGCSA-N	1	0	350.507	1.857	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3[nH]ccc3C)C[C@H]21	ZINC000972835106	783902767	/nfs/dbraw/zinc/90/27/67/783902767.db2.gz	OCKBKPXAJNTBPQ-IXDOHACOSA-N	1	0	354.454	1.094	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@@H](O)COCCOC)C1	ZINC001112520556	784214675	/nfs/dbraw/zinc/21/46/75/784214675.db2.gz	KTXKLMQJLRMEGI-NSHGMRRFSA-N	1	0	368.518	1.585	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1	ZINC000658534425	784226352	/nfs/dbraw/zinc/22/63/52/784226352.db2.gz	BQUCSUIBOHAASF-SFHVURJKSA-N	1	0	365.518	1.810	20	30		FDEDRO
C[C@H]1C[C@@H](N(C)C(=O)NCC(=O)NCC#N)CC[N@@H+]1Cc1ccccc1	ZINC000377052368	791011905	/nfs/dbraw/zinc/01/19/05/791011905.db2.gz	SILMZXSCNOAGRU-RDJZCZTQSA-N	1	0	357.458	1.321	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2nc(CC)no2)C1	ZINC001024196488	784308215	/nfs/dbraw/zinc/30/82/15/784308215.db2.gz	VXNQFYZMZUEXDB-VKJFTORMSA-N	1	0	362.474	1.941	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ncnn2CC)C1	ZINC001024196626	784308810	/nfs/dbraw/zinc/30/88/10/784308810.db2.gz	ZFOQLKNQGZFDQL-RYRKJORJSA-N	1	0	361.490	1.607	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc3nonc3c1)C2	ZINC001112520973	784420625	/nfs/dbraw/zinc/42/06/25/784420625.db2.gz	HUSKXRXMFLLXBE-JXFKEZNVSA-N	1	0	368.437	1.705	20	30		FDEDRO
N#CCNC(=O)CNC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000377059009	791030606	/nfs/dbraw/zinc/03/06/06/791030606.db2.gz	YGRHGNOXEQUFNY-MSOLQXFVSA-N	1	0	369.469	1.465	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCCNC(N)=O)C[C@H]1c1ccccc1	ZINC001211631862	784924362	/nfs/dbraw/zinc/92/43/62/784924362.db2.gz	SMXBGJASXSTOIS-ZWKOTPCHSA-N	1	0	358.486	1.985	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1	ZINC000658760447	785059672	/nfs/dbraw/zinc/05/96/72/785059672.db2.gz	XRTCAPZSUSIGOA-RBUKOAKNSA-N	1	0	371.481	1.428	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1	ZINC000364820215	785188888	/nfs/dbraw/zinc/18/88/88/785188888.db2.gz	JJIMTNCQXFAFAS-CABCVRRESA-N	1	0	357.458	1.796	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC	ZINC000413776122	785365376	/nfs/dbraw/zinc/36/53/76/785365376.db2.gz	BLWKIKQRFNBTOK-GUDVDZBRSA-N	1	0	361.486	1.760	20	30		FDEDRO
N#Cc1ccc(CN2CCCC[C@@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)c(F)c1	ZINC001024656223	785634704	/nfs/dbraw/zinc/63/47/04/785634704.db2.gz	JBBDBRDNACRDJQ-OAGGEKHMSA-N	1	0	358.417	1.289	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCn1nc(C)nc1C	ZINC001024661766	785652909	/nfs/dbraw/zinc/65/29/09/785652909.db2.gz	NLDKROZCIQQCKD-KSZLIROESA-N	1	0	361.490	1.457	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)n1	ZINC000892768855	791133809	/nfs/dbraw/zinc/13/38/09/791133809.db2.gz	VNYFBHDNVVCKOJ-KRWDZBQOSA-N	1	0	359.474	1.207	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1	ZINC001024738094	785874806	/nfs/dbraw/zinc/87/48/06/785874806.db2.gz	FCJKDTIWIQLTEO-BRWVUGGUSA-N	1	0	363.502	1.151	20	30		FDEDRO
C[N@H+](CCNC(=O)N1CCC(n2cnc(C#N)n2)CC1)Cc1ccccc1	ZINC000376100429	785879327	/nfs/dbraw/zinc/87/93/27/785879327.db2.gz	XGWCLBJZCJKABX-UHFFFAOYSA-N	1	0	367.457	1.628	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cccc(C(N)=O)c3)C[C@H]21	ZINC000978717444	805691211	/nfs/dbraw/zinc/69/12/11/805691211.db2.gz	MIATUWRZZNNBFD-QQXKLLMISA-N	1	0	369.465	1.171	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@]23C[C@H]2CCC3)C[C@H]1c1ccccc1	ZINC001211637758	786735993	/nfs/dbraw/zinc/73/59/93/786735993.db2.gz	UUPXKNIJBFLNRB-VQQMMKBISA-N	1	0	365.477	1.510	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4OCC[C@H]4C)[C@@H]3C2)cc1C#N	ZINC000978733521	805723245	/nfs/dbraw/zinc/72/32/45/805723245.db2.gz	QJHYDRLMUUJTBA-REPJOTQGSA-N	1	0	369.465	1.786	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1	ZINC000947251175	786956422	/nfs/dbraw/zinc/95/64/22/786956422.db2.gz	CDKJVKHCLAQQTQ-KSZLIROESA-N	1	0	365.518	1.805	20	30		FDEDRO
C#C[C@@H]1CCCCN1C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1	ZINC000892543823	787127304	/nfs/dbraw/zinc/12/73/04/787127304.db2.gz	IQJNNLBUOMCCKO-QGZVFWFLSA-N	1	0	369.469	1.318	20	30		FDEDRO
C[C@H](ONC(N)=C1C(=[NH2+])C2(CCCC2)N(C)C1=O)c1cccc([N+](=O)[O-])c1	ZINC000178144360	787182144	/nfs/dbraw/zinc/18/21/44/787182144.db2.gz	OLYPHMZIMGBESJ-NSHDSACASA-N	1	0	373.413	1.942	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc4c([nH]c3=O)CCC4)[C@H]2C1	ZINC001083275941	787271318	/nfs/dbraw/zinc/27/13/18/787271318.db2.gz	DXOIZAVZJJDPJH-ZWKOTPCHSA-N	1	0	357.454	1.767	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@]2(C)CCS(=O)(=O)N2)C1	ZINC001111956442	787338708	/nfs/dbraw/zinc/33/87/08/787338708.db2.gz	OFNVUVNXCDRERY-SZMVWBNQSA-N	1	0	369.531	1.395	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21	ZINC000249258258	787647364	/nfs/dbraw/zinc/64/73/64/787647364.db2.gz	YSXZCXCTBNOYDJ-DOTOQJQBSA-N	1	0	355.438	1.580	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2C[C@H]2C(N)=O)c(F)c1	ZINC001025084357	787779073	/nfs/dbraw/zinc/77/90/73/787779073.db2.gz	USRQHTZDXNRWAI-OAGGEKHMSA-N	1	0	358.417	1.289	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC000978870075	805834252	/nfs/dbraw/zinc/83/42/52/805834252.db2.gz	PHMNUJAKDPPYMY-KJWYOANISA-N	1	0	354.454	1.028	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](OC)c2cnn(C)c2)C[C@H]1c1ccccc1	ZINC001211642425	788036142	/nfs/dbraw/zinc/03/61/42/788036142.db2.gz	CHSWCVHRGREXGJ-ZCNNSNEGSA-N	1	0	366.465	1.715	20	30		FDEDRO
C=CC1(CC(=O)NOC2CC[NH+](C)CC2)CN(C(=O)OC(C)(C)C)C1	ZINC000935842530	788070312	/nfs/dbraw/zinc/07/03/12/788070312.db2.gz	VAVNHTCCZAPPTP-UHFFFAOYSA-N	1	0	353.463	1.942	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CS(=O)(=O)NC(C)(C)C)C1	ZINC001111990230	788288242	/nfs/dbraw/zinc/28/82/42/788288242.db2.gz	RFPUJNJODPZZHM-YOEHRIQHSA-N	1	0	357.520	1.251	20	30		FDEDRO
O=C(CC#Cc1ccccc1)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCNC1=O)C2	ZINC001111999632	788511085	/nfs/dbraw/zinc/51/10/85/788511085.db2.gz	TXOIWYJPNQTBBL-UEXGIBASSA-N	1	0	351.450	1.287	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc[nH]c2C2CC2)C[C@H]1C	ZINC001104594141	788782137	/nfs/dbraw/zinc/78/21/37/788782137.db2.gz	PJDVXRUEZGCQCN-GDBMZVCRSA-N	1	0	356.470	1.329	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NCCCOC)C1	ZINC001104607503	788847841	/nfs/dbraw/zinc/84/78/41/788847841.db2.gz	XHJSKODKEAUHJU-KZNAEPCWSA-N	1	0	367.534	1.958	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCOCC2)C[C@H]1c1ccccc1	ZINC001211687829	805913494	/nfs/dbraw/zinc/91/34/94/805913494.db2.gz	BGRGLYAVECEWJK-VQTJNVASSA-N	1	0	369.509	1.705	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)Nc2cnccn2)C1	ZINC001104607109	788848870	/nfs/dbraw/zinc/84/88/70/788848870.db2.gz	KFEHCYBHMQKCDT-HZPDHXFCSA-N	1	0	359.474	1.846	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCc2ccccc2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104618290	788944340	/nfs/dbraw/zinc/94/43/40/788944340.db2.gz	PWBAQPCGFRGLJK-IEBWSBKVSA-N	1	0	370.497	1.723	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2C(=O)CNC2=O)C1	ZINC001104631411	789059318	/nfs/dbraw/zinc/05/93/18/789059318.db2.gz	MFWMINLEXJDHMU-CLCXKQKWSA-N	1	0	364.490	1.215	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cc(OC)no3)C2)c1	ZINC001104659144	789180562	/nfs/dbraw/zinc/18/05/62/789180562.db2.gz	DYXDETLSNSJBCQ-GDBMZVCRSA-N	1	0	368.437	1.948	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1	ZINC000978988452	805962583	/nfs/dbraw/zinc/96/25/83/805962583.db2.gz	HIAKBLMLOYGDNS-ADHGMGHFSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=CCC[C@@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)c1ccccc1	ZINC000659704921	789519861	/nfs/dbraw/zinc/51/98/61/789519861.db2.gz	QAIHDXPGZFIJCN-OAHLLOKOSA-N	1	0	369.425	1.081	20	30		FDEDRO
C=CCn1c(C)cc(C(=O)CN2CCCN(CC(=O)N(C)C)CC2)c1C	ZINC000377167538	791159770	/nfs/dbraw/zinc/15/97/70/791159770.db2.gz	BNIDGCAYXNRERK-UHFFFAOYSA-N	1	0	360.502	1.570	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)CCN1C1CC[NH+](C)CC1	ZINC000377253391	791382159	/nfs/dbraw/zinc/38/21/59/791382159.db2.gz	CJKNSOANXKBIRA-MRXNPFEDSA-N	1	0	369.465	1.394	20	30		FDEDRO
N#Cc1cccc(C2(NC(=O)C(=O)Nc3ccc(OCC[NH3+])cc3)CC2)c1	ZINC000415175430	791558478	/nfs/dbraw/zinc/55/84/78/791558478.db2.gz	DBAFUAZPDMEPLX-UHFFFAOYSA-N	1	0	364.405	1.640	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](OC)C(C)C)C2	ZINC001112522700	791654085	/nfs/dbraw/zinc/65/40/85/791654085.db2.gz	KRYAXMHUMXLGOK-WDYCEAGBSA-N	1	0	351.491	1.178	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)[NH+]1C[C@@H]2CN(Cc3noc(CC)n3)C[C@H]2C1	ZINC000377433790	791824071	/nfs/dbraw/zinc/82/40/71/791824071.db2.gz	URDQQEXXJZBBRI-ULQDDVLXSA-N	1	0	373.501	1.585	20	30		FDEDRO
C[C@@H](C(N)=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1	ZINC001087424920	806102343	/nfs/dbraw/zinc/10/23/43/806102343.db2.gz	XBABMRINTOKJLE-FDQGKXFDSA-N	1	0	365.437	1.348	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC2(CC1)CC(=O)C=CO2	ZINC000892944555	791895880	/nfs/dbraw/zinc/89/58/80/791895880.db2.gz	RVFGZSNAMSRKMF-HNNXBMFYSA-N	1	0	351.447	1.145	20	30		FDEDRO
C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1	ZINC000415393076	792184202	/nfs/dbraw/zinc/18/42/02/792184202.db2.gz	JTKVVWAFKPKWGG-SNVBAGLBSA-N	1	0	366.368	1.684	20	30		FDEDRO
CC1(C)C[NH2+]CC[C@H]1NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000415436977	792272061	/nfs/dbraw/zinc/27/20/61/792272061.db2.gz	KBRHQZWKCYBVDL-OAHLLOKOSA-N	1	0	356.405	2.393	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2CCO[C@@H]3C[N@@H+](CCCO)C[C@@H]32)cc1	ZINC001083286372	792348653	/nfs/dbraw/zinc/34/86/53/792348653.db2.gz	GNYPVKJNQALOOB-RBUKOAKNSA-N	1	0	360.454	1.088	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)N[C@H](C[NH3+])C2CC2)c(C#N)cn1CCOC	ZINC000415487973	792354362	/nfs/dbraw/zinc/35/43/62/792354362.db2.gz	LHMCEESTPNKBRX-CYBMUJFWSA-N	1	0	363.418	1.042	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000377638694	792388660	/nfs/dbraw/zinc/38/86/60/792388660.db2.gz	DQHPZEDEJXJCPQ-QFBILLFUSA-N	1	0	370.497	1.952	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cnc(C)cn2)C[C@H]1C(F)(F)F	ZINC001112037829	792469164	/nfs/dbraw/zinc/46/91/64/792469164.db2.gz	SIJQZQLIHQUXNC-TZMCWYRMSA-N	1	0	356.348	1.027	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)ccc1OCC(F)(F)F	ZINC000415540366	792476333	/nfs/dbraw/zinc/47/63/33/792476333.db2.gz	OKRKWQXWYNPLIX-LBPRGKRZSA-N	1	0	370.331	1.291	20	30		FDEDRO
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)c1C	ZINC000415538827	792485720	/nfs/dbraw/zinc/48/57/20/792485720.db2.gz	KLOBWSYUXZNTSK-INIZCTEOSA-N	1	0	366.425	1.153	20	30		FDEDRO
CCCc1c(NC(=O)N(CC[NH3+])CCO)cnn1-c1cccc(C#N)c1	ZINC000415556981	792521285	/nfs/dbraw/zinc/52/12/85/792521285.db2.gz	CPVJPJKMXCMTON-UHFFFAOYSA-N	1	0	356.430	1.481	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)[C@@H](C)C[NH2+]1	ZINC000415565955	792538030	/nfs/dbraw/zinc/53/80/30/792538030.db2.gz	PJDLNWQCOUZOIA-RYUDHWBXSA-N	1	0	369.450	1.829	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1	ZINC000415575099	792572048	/nfs/dbraw/zinc/57/20/48/792572048.db2.gz	PFKTXZKXIZMKQN-DOTOQJQBSA-N	1	0	362.433	1.616	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)cc1	ZINC000415578059	792577806	/nfs/dbraw/zinc/57/78/06/792577806.db2.gz	IHGHJDJVVRSXAA-LJQANCHMSA-N	1	0	358.442	1.047	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+]	ZINC000415580122	792597275	/nfs/dbraw/zinc/59/72/75/792597275.db2.gz	QYSQKHZWHRZLMF-OAHLLOKOSA-N	1	0	374.489	1.966	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1	ZINC000415694633	792839930	/nfs/dbraw/zinc/83/99/30/792839930.db2.gz	VSOSDZXTCVSYAO-JKSUJKDBSA-N	1	0	364.405	1.459	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1	ZINC000415736800	792901520	/nfs/dbraw/zinc/90/15/20/792901520.db2.gz	BQMAXOWDEWBBJD-UONOGXRCSA-N	1	0	371.441	1.001	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)c3ccc(F)cc3)C[C@H]21	ZINC001026054554	793016419	/nfs/dbraw/zinc/01/64/19/793016419.db2.gz	HJHSALMDECTVSA-SVMUCYCZSA-N	1	0	360.429	1.497	20	30		FDEDRO
CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1	ZINC000415847402	793154782	/nfs/dbraw/zinc/15/47/82/793154782.db2.gz	BQYXMTBKYQWBCE-INIZCTEOSA-N	1	0	358.417	1.872	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CN2CCOCC2)C1	ZINC001087425443	806221915	/nfs/dbraw/zinc/22/19/15/806221915.db2.gz	WHJIOXNWOZCINX-WOJBJXKFSA-N	1	0	357.498	1.869	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1	ZINC000979328348	806240450	/nfs/dbraw/zinc/24/04/50/806240450.db2.gz	QZWJTMYOQHYGAR-WKULXVSPSA-N	1	0	363.502	1.461	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)c2ccc(C)o2)C[C@H]1C	ZINC001104767769	793550307	/nfs/dbraw/zinc/55/03/07/793550307.db2.gz	CWGUEGGIIIJBGO-HYVNUMGLSA-N	1	0	359.470	1.515	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnn(C)c3)C2)nn1	ZINC001104777783	793601120	/nfs/dbraw/zinc/60/11/20/793601120.db2.gz	UDGNTZBPAAAGSA-NVXWUHKLSA-N	1	0	371.489	1.476	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1CC[NH2+]Cc1cc(F)ccc1C#N	ZINC001104810351	793826436	/nfs/dbraw/zinc/82/64/36/793826436.db2.gz	NRSSRPWLJHXCPG-TZMCWYRMSA-N	1	0	356.405	1.703	20	30		FDEDRO
COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)c3cnon3)C[C@H]2C)cc1C#N	ZINC001104816720	793872459	/nfs/dbraw/zinc/87/24/59/793872459.db2.gz	JLEWFHOUOVKAQT-UKRRQHHQSA-N	1	0	369.425	1.838	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1	ZINC000378361280	794026126	/nfs/dbraw/zinc/02/61/26/794026126.db2.gz	NLHNBQXQSYQEIA-QGZVFWFLSA-N	1	0	367.497	1.993	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@@H]3C)CC2)c1C#N	ZINC000290722851	794045620	/nfs/dbraw/zinc/04/56/20/794045620.db2.gz	MESDAWREIIAXLA-BLLLJJGKSA-N	1	0	374.514	1.638	20	30		FDEDRO
C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1=O	ZINC000416342736	794050618	/nfs/dbraw/zinc/05/06/18/794050618.db2.gz	QAVNUEPPRXPBPX-SJLPKXTDSA-N	1	0	354.454	1.462	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ncoc2C2CC2)C[C@H]1C	ZINC001104871218	794154687	/nfs/dbraw/zinc/15/46/87/794154687.db2.gz	BQSRVSOBYPOKOE-UKRRQHHQSA-N	1	0	360.458	1.542	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCN(C(=O)CC)C2)C[C@H]1C	ZINC001104879081	794188434	/nfs/dbraw/zinc/18/84/34/794188434.db2.gz	DRPUYEMXFKGFNL-KURKYZTESA-N	1	0	365.518	1.522	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)Cn2nc3n(c2=O)CCCC3)C[C@H]1C	ZINC001104880194	794192553	/nfs/dbraw/zinc/19/25/53/794192553.db2.gz	VPJRBAZCXUBNQO-HZPDHXFCSA-N	1	0	361.490	1.031	20	30		FDEDRO
CCN1CCO[C@@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1	ZINC000378500266	794221949	/nfs/dbraw/zinc/22/19/49/794221949.db2.gz	XDRBUUACKGIJDH-GOSISDBHSA-N	1	0	356.470	1.382	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C[C@H]1C	ZINC001104904649	794311292	/nfs/dbraw/zinc/31/12/92/794311292.db2.gz	DSUTXLLZDPZGGL-CHWSQXEVSA-N	1	0	364.446	1.550	20	30		FDEDRO
CN1CCN(C2CCN(C(=O)c3cccc(SCC#N)c3)CC2)C(=O)C1	ZINC000378559071	794319316	/nfs/dbraw/zinc/31/93/16/794319316.db2.gz	JWDIPMKPIBMRKV-UHFFFAOYSA-N	1	0	372.494	1.681	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N[C@@H](C)CC)C2)nc1	ZINC001104924972	794423705	/nfs/dbraw/zinc/42/37/05/794423705.db2.gz	VLJOXFVWDWWIIM-SOLBZPMBSA-N	1	0	370.497	1.665	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)CC)C2)cn1	ZINC001104927570	794434521	/nfs/dbraw/zinc/43/45/21/794434521.db2.gz	KAGVWEFJFFZGME-NVXWUHKLSA-N	1	0	356.470	1.229	20	30		FDEDRO
CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1	ZINC000363894424	794446495	/nfs/dbraw/zinc/44/64/95/794446495.db2.gz	RGSOUOMLSRZKIO-ZDUSSCGKSA-N	1	0	359.430	1.302	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ncccc2Cl)C[C@H]1C	ZINC001104931458	794459609	/nfs/dbraw/zinc/45/96/09/794459609.db2.gz	TUEPDNJPFCHGKT-ZIAGYGMSSA-N	1	0	362.861	1.172	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2c(F)cccc2F)C[C@H]1C	ZINC001104947063	794531363	/nfs/dbraw/zinc/53/13/63/794531363.db2.gz	IMKZXQMXALUXQU-ZIAGYGMSSA-N	1	0	363.408	1.402	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnnn2C)C1	ZINC001104954448	794551606	/nfs/dbraw/zinc/55/16/06/794551606.db2.gz	BTZONENNWFSBKF-VQIMIIECSA-N	1	0	365.481	1.613	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnon2)C1	ZINC001104954687	794552408	/nfs/dbraw/zinc/55/24/08/794552408.db2.gz	OJELAYCMVVBNQO-CRAIPNDOSA-N	1	0	352.438	1.868	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CNS(=O)(=O)CCCC)C[C@H]1C	ZINC001104957778	794569479	/nfs/dbraw/zinc/56/94/79/794569479.db2.gz	PAVVQDKJTPABTB-HZPDHXFCSA-N	1	0	359.536	1.356	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1	ZINC000974174494	794614473	/nfs/dbraw/zinc/61/44/73/794614473.db2.gz	PDWHOVJIZCBHLS-GJGATLCTSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000974188701	794679596	/nfs/dbraw/zinc/67/95/96/794679596.db2.gz	VOVJQFLSIIQYJQ-ATLSCFEFSA-N	1	0	368.437	1.693	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1CC[NH2+]CC#Cc1ccccc1	ZINC001104990039	794740276	/nfs/dbraw/zinc/74/02/76/794740276.db2.gz	FAWYKIWITHVOBA-SJLPKXTDSA-N	1	0	356.470	1.171	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)CCCNC(=O)c2ccco2)C[C@H]1C	ZINC001105001644	794828803	/nfs/dbraw/zinc/82/88/03/794828803.db2.gz	QXKNWWVTLYXERE-IAGOWNOFSA-N	1	0	359.470	1.887	20	30		FDEDRO
Cc1cc(NC[C@@H](CC(C)C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C#N)cn1	ZINC001105003197	794850023	/nfs/dbraw/zinc/85/00/23/794850023.db2.gz	OXYKNFKPWGNBJY-KBAYOESNSA-N	1	0	357.502	1.967	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cncnc2C(C)C)C[C@H]1C	ZINC001105021528	794949572	/nfs/dbraw/zinc/94/95/72/794949572.db2.gz	ZQTWVJXEBWYPAA-IAGOWNOFSA-N	1	0	358.486	1.938	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cncnc2CC)C[C@H]1C	ZINC001105020958	794956244	/nfs/dbraw/zinc/95/62/44/794956244.db2.gz	HZWUXDOMBPFEGV-HUUCEWRRSA-N	1	0	359.474	1.029	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1	ZINC000636516547	795069176	/nfs/dbraw/zinc/06/91/76/795069176.db2.gz	GCDYXFHBLJANCU-UHFFFAOYSA-N	1	0	358.486	1.881	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3nncn3C2)C[C@H]1C	ZINC001105053984	795074321	/nfs/dbraw/zinc/07/43/21/795074321.db2.gz	GZGNPYSWQGLNES-ZACQAIPSSA-N	1	0	361.490	1.117	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CCN([C@@H]3CCCCNC3=O)CC2)cc1	ZINC000364089579	795152986	/nfs/dbraw/zinc/15/29/86/795152986.db2.gz	QJCNGBYKTROBSV-QGZVFWFLSA-N	1	0	355.442	1.054	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H](C)COC)C1	ZINC001112079599	795232949	/nfs/dbraw/zinc/23/29/49/795232949.db2.gz	PQEPWYSIBXVDSJ-BFHYXJOUSA-N	1	0	352.397	1.983	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNC(=O)C2CC2)C1	ZINC001105090232	795233980	/nfs/dbraw/zinc/23/39/80/795233980.db2.gz	NHXWZPDBXNGEKV-NVXWUHKLSA-N	1	0	351.491	1.180	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C(C)C)C1	ZINC001105090337	795234953	/nfs/dbraw/zinc/23/49/53/795234953.db2.gz	RFJIORZVDNNVJT-IXDOHACOSA-N	1	0	353.507	1.519	20	30		FDEDRO
CC(C)CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001105091030	795238969	/nfs/dbraw/zinc/23/89/69/795238969.db2.gz	QIJRUECFVOAWMO-IXDOHACOSA-N	1	0	366.506	1.152	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C(N)=O)nc2)C[C@H]1C	ZINC001105108193	795311410	/nfs/dbraw/zinc/31/14/10/795311410.db2.gz	QHEJYVCMFYDCBJ-GDBMZVCRSA-N	1	0	360.458	1.071	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1	ZINC000189161202	795368354	/nfs/dbraw/zinc/36/83/54/795368354.db2.gz	SMXISYKEJPIQLG-INIZCTEOSA-N	1	0	371.485	1.775	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)NCCC[NH2+]Cc2cccnc2)cc1	ZINC000417761500	795387411	/nfs/dbraw/zinc/38/74/11/795387411.db2.gz	KFLOLSQJECOZRO-UHFFFAOYSA-N	1	0	353.426	1.811	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCC([NH2+]CC(=O)N2CCCC2)CC1	ZINC001026495938	795455633	/nfs/dbraw/zinc/45/56/33/795455633.db2.gz	ADVHJBCYVQDUMB-HIEASXQVSA-N	1	0	363.502	1.607	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)NCCC[C@@H]3CCC[NH2+]3)C2=O)cc1	ZINC000418075545	795510168	/nfs/dbraw/zinc/51/01/68/795510168.db2.gz	HESGACSLAQQONH-ROUUACIJSA-N	1	0	369.469	1.491	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCN(Cc2ccc(C#N)cc2OC(F)F)CC1	ZINC000473043079	795529145	/nfs/dbraw/zinc/52/91/45/795529145.db2.gz	RMRRJKGOIUYXET-UHFFFAOYSA-N	1	0	366.412	1.756	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC([NH2+]Cc2cncc(OC)n2)CC1	ZINC001026563664	795557688	/nfs/dbraw/zinc/55/76/88/795557688.db2.gz	FBSNGBGHDUOHNV-MMADZMRASA-N	1	0	360.458	1.593	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCC([NH2+]CCc2cnn(C)c2)CC1	ZINC001026575380	795574188	/nfs/dbraw/zinc/57/41/88/795574188.db2.gz	OMSNELMBPWHNPS-BTRQGYIVSA-N	1	0	360.502	1.961	20	30		FDEDRO
C=CCOc1ccc(CNC(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1	ZINC000418158299	795583897	/nfs/dbraw/zinc/58/38/97/795583897.db2.gz	AZCOCZCIQOQZGZ-KRWDZBQOSA-N	1	0	370.457	1.848	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCC2CC2)C1	ZINC001112092579	795730167	/nfs/dbraw/zinc/73/01/67/795730167.db2.gz	FWEKBICCZMPDDW-FMKPAKJESA-N	1	0	364.408	1.719	20	30		FDEDRO
Cc1ocnc1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000511657301	795746784	/nfs/dbraw/zinc/74/67/84/795746784.db2.gz	FIMTXYXYRRBIDH-UHFFFAOYSA-N	1	0	369.425	1.061	20	30		FDEDRO
CC[NH2+]CCNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000418328949	795792279	/nfs/dbraw/zinc/79/22/79/795792279.db2.gz	UCYPLYALEXBFSZ-UHFFFAOYSA-N	1	0	355.446	1.167	20	30		FDEDRO
CCC([NH3+])(CC)CNC(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000418430480	795913592	/nfs/dbraw/zinc/91/35/92/795913592.db2.gz	UXINSORCBJKZFW-DJJJIMSYSA-N	1	0	355.442	1.559	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C(C)C)C[C@H]1c1ccccc1	ZINC001211657760	795919778	/nfs/dbraw/zinc/91/97/78/795919778.db2.gz	MGKPARPCJGAQCD-ZCNNSNEGSA-N	1	0	367.493	1.993	20	30		FDEDRO
C[C@@H](C[NH3+])CNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000418462097	795953476	/nfs/dbraw/zinc/95/34/76/795953476.db2.gz	BAMHBIDMANZDSW-LBPRGKRZSA-N	1	0	358.402	1.233	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1c1ccccc1	ZINC001211657949	795953792	/nfs/dbraw/zinc/95/37/92/795953792.db2.gz	VFIISHVBZBFMFM-RBUKOAKNSA-N	1	0	353.422	1.451	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cncc(C)c2)C1	ZINC001112100819	796027455	/nfs/dbraw/zinc/02/74/55/796027455.db2.gz	MICFORRNWNKMJU-FVQBIDKESA-N	1	0	369.387	1.907	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cc3c[nH]ccc-3n2)C1	ZINC000980011869	806675903	/nfs/dbraw/zinc/67/59/03/806675903.db2.gz	IEYUJQIYOYYBBV-DRRHNWJESA-N	1	0	368.437	1.779	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCc2ccc(CS(=O)(=O)NC)cc2)CCC[NH2+]1	ZINC000662457939	806677721	/nfs/dbraw/zinc/67/77/21/806677721.db2.gz	NXBMQBRBOWTOSV-KRWDZBQOSA-N	1	0	351.472	1.050	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)CCC[NH2+]1	ZINC000662464467	806691998	/nfs/dbraw/zinc/69/19/98/806691998.db2.gz	HCCBDSYFNQOCNW-INIZCTEOSA-N	1	0	371.890	1.433	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1	ZINC000974589235	799854911	/nfs/dbraw/zinc/85/49/11/799854911.db2.gz	DSCWQVMHIXFOSZ-SJLPKXTDSA-N	1	0	368.481	1.443	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3cccc(C#N)c3)C2)C1	ZINC001026852325	800002927	/nfs/dbraw/zinc/00/29/27/800002927.db2.gz	WBPVIDQJJVOSJN-ZTFGCOKTSA-N	1	0	354.454	1.411	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(C#N)cc3)C2)O1	ZINC001026916139	800173654	/nfs/dbraw/zinc/17/36/54/800173654.db2.gz	BEFVXBBTSPEFEV-AYOQOUSVSA-N	1	0	356.470	1.215	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C4(C)CCC4)[C@@H]3C2)CC1	ZINC000974744312	800215525	/nfs/dbraw/zinc/21/55/25/800215525.db2.gz	AVIPBHHRAFSJGL-QZTJIDSGSA-N	1	0	357.498	1.581	20	30		FDEDRO
N#Cc1ccccc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1	ZINC001026969258	800348704	/nfs/dbraw/zinc/34/87/04/800348704.db2.gz	PRVMNURWJLYGPQ-XFWGSAIBSA-N	1	0	369.465	1.548	20	30		FDEDRO
C=CC[C@@]1(C(=O)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)CCC[NH2+]1	ZINC000662566711	806847156	/nfs/dbraw/zinc/84/71/56/806847156.db2.gz	QDRBXPGGDGCKAE-KDOFPFPSSA-N	1	0	365.499	1.812	20	30		FDEDRO
N#Cc1ccccc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC001027067846	800653795	/nfs/dbraw/zinc/65/37/95/800653795.db2.gz	CGKHFNUMYZONFX-OAGGEKHMSA-N	1	0	354.454	1.398	20	30		FDEDRO
C=CC[C@]1(C(=O)NCCOc2ccc(S(C)(=O)=O)cc2)CCC[NH2+]1	ZINC000662581728	806853662	/nfs/dbraw/zinc/85/36/62/806853662.db2.gz	IFQMGGRIGSWBNS-QGZVFWFLSA-N	1	0	352.456	1.283	20	30		FDEDRO
C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C(C)(C)C1	ZINC000975032108	800787436	/nfs/dbraw/zinc/78/74/36/800787436.db2.gz	UXJRCENBMUMXIB-BBWFWOEESA-N	1	0	361.486	1.006	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000975182942	800985516	/nfs/dbraw/zinc/98/55/16/800985516.db2.gz	IALOTHKZSHXVOW-UWWQBHOKSA-N	1	0	371.485	1.585	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ncnn2C(C)C)C1	ZINC001027117301	801015584	/nfs/dbraw/zinc/01/55/84/801015584.db2.gz	VEVYAEBGFQACNK-BQFCYCMXSA-N	1	0	361.490	1.778	20	30		FDEDRO
C=CC[C@]1(C(=O)NC[C@H](CO)Cc2cc(OC)cc(OC)c2)CCC[NH2+]1	ZINC000662647478	806923031	/nfs/dbraw/zinc/92/30/31/806923031.db2.gz	VNTRCERAYIYDFQ-OXQOHEQNSA-N	1	0	362.470	1.669	20	30		FDEDRO
C=CC[C@]1(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)CCC[NH2+]1	ZINC000662672210	806944691	/nfs/dbraw/zinc/94/46/91/806944691.db2.gz	XPHFVVULQIAJQC-OAQYLSRUSA-N	1	0	370.497	1.904	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)CC1	ZINC000975701461	802066240	/nfs/dbraw/zinc/06/62/40/802066240.db2.gz	RCICDDFKBBVSOC-ICSRJNTNSA-N	1	0	367.493	1.194	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]21	ZINC000975780620	802352642	/nfs/dbraw/zinc/35/26/42/802352642.db2.gz	WZZWCTOHXFMCMV-ULQDDVLXSA-N	1	0	358.486	1.471	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CCN(C(=O)Cn4ccnc4)C[C@@H]32)cc1	ZINC000975785402	802373840	/nfs/dbraw/zinc/37/38/40/802373840.db2.gz	KOTOSASWEIDWAA-HKUYNNGSSA-N	1	0	362.433	1.628	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]21	ZINC000975828658	802500260	/nfs/dbraw/zinc/50/02/60/802500260.db2.gz	GYLKVTSMMMRNGI-LPHOPBHVSA-N	1	0	362.433	1.811	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)cn1	ZINC000975836008	802552789	/nfs/dbraw/zinc/55/27/89/802552789.db2.gz	GDEZQUJKPRVAII-LPHOPBHVSA-N	1	0	366.465	1.222	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c3n(c(=O)n1C)CCCC3)C2	ZINC001112531287	807002097	/nfs/dbraw/zinc/00/20/97/807002097.db2.gz	PNAHEMONIJDTOP-YWZLYKJASA-N	1	0	358.486	1.541	20	30		FDEDRO
C=CC[C@]1(C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)CCC[NH2+]1	ZINC000662709897	802827435	/nfs/dbraw/zinc/82/74/35/802827435.db2.gz	UQCRAUQCJWKTRX-OAQYLSRUSA-N	1	0	370.497	1.145	20	30		FDEDRO
O=C(N1CCN(CC(F)(F)C(F)F)CC1)[C@]1(C(F)(F)F)CC[NH2+]C1	ZINC000662737315	802975177	/nfs/dbraw/zinc/97/51/77/802975177.db2.gz	XWGGIXJZGKOEPR-NSHDSACASA-N	1	0	365.293	1.573	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)C2)c1	ZINC000976697705	803770959	/nfs/dbraw/zinc/77/09/59/803770959.db2.gz	RDFNNGCNZHAFMN-KBAYOESNSA-N	1	0	354.454	1.172	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@@H](C[NH2+]C)C1	ZINC000423121077	814965536	/nfs/dbraw/zinc/96/55/36/814965536.db2.gz	IBFYZAXFLHTTSF-SFHVURJKSA-N	1	0	356.470	1.755	20	30		FDEDRO
C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1	ZINC000423148071	814973430	/nfs/dbraw/zinc/97/34/30/814973430.db2.gz	FEKWDRBRNDKARW-MRXNPFEDSA-N	1	0	370.453	1.138	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2	ZINC000423136365	814979216	/nfs/dbraw/zinc/97/92/16/814979216.db2.gz	YSZSVPLMLPSVQI-HDICACEKSA-N	1	0	354.454	1.650	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2	ZINC000423168438	814986155	/nfs/dbraw/zinc/98/61/55/814986155.db2.gz	HLGJVLLIKBEXHK-UHFFFAOYSA-N	1	0	371.481	1.812	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1	ZINC000423172349	814987656	/nfs/dbraw/zinc/98/76/56/814987656.db2.gz	SLFMKPDBMABTRJ-OAQYLSRUSA-N	1	0	371.481	1.812	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1	ZINC000423179810	814990334	/nfs/dbraw/zinc/99/03/34/814990334.db2.gz	AEZQJYNDHVEVET-MSOLQXFVSA-N	1	0	352.438	1.141	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1	ZINC000423192251	814996338	/nfs/dbraw/zinc/99/63/38/814996338.db2.gz	VABWRDFNQNCNSN-HXUWFJFHSA-N	1	0	352.438	1.285	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](CC(C)C)OC)C2	ZINC001112526123	804522357	/nfs/dbraw/zinc/52/23/57/804522357.db2.gz	TUVHDMNKWDTFOO-ZWOKBUDYSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@H]1C	ZINC000977194860	804525643	/nfs/dbraw/zinc/52/56/43/804525643.db2.gz	DLHMTEBKAAOLLV-VMENWCDDSA-N	1	0	361.486	1.025	20	30		FDEDRO
COC[C@H](OC)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001112526725	804814647	/nfs/dbraw/zinc/81/46/47/804814647.db2.gz	VBNJKNQVRPEQLY-ZJOUEHCJSA-N	1	0	371.481	1.938	20	30		FDEDRO
C=CCC1([NH2+]CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CCCC1	ZINC000661862989	805026083	/nfs/dbraw/zinc/02/60/83/805026083.db2.gz	LZPICYULCLQNEX-UHFFFAOYSA-N	1	0	363.483	1.702	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(CCC)CC1)C2	ZINC001112526934	805056818	/nfs/dbraw/zinc/05/68/18/805056818.db2.gz	DFYIQOZUAIMSMV-FIKGOQFSSA-N	1	0	359.514	1.923	20	30		FDEDRO
CN1CCN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC[N@H+](C)CC1	ZINC000888992688	805071869	/nfs/dbraw/zinc/07/18/69/805071869.db2.gz	UTVUNUHAMSXBQI-LJQANCHMSA-N	1	0	355.486	1.233	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)cn1	ZINC000978105132	805207646	/nfs/dbraw/zinc/20/76/46/805207646.db2.gz	IYJKYXKVXREPTQ-GBESFXJTSA-N	1	0	368.481	1.466	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)Cn2ccc(C)n2)C[C@H]1c1ccccc1	ZINC001211676320	805287578	/nfs/dbraw/zinc/28/75/78/805287578.db2.gz	JCGXVTDKMXXCPO-VQTJNVASSA-N	1	0	366.465	1.426	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2CC)C[C@H]1c1ccccc1	ZINC001211678249	805312504	/nfs/dbraw/zinc/31/25/04/805312504.db2.gz	KSARDKZLUPTTSG-OQIJWPOYSA-N	1	0	353.466	1.366	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000278889829	806991511	/nfs/dbraw/zinc/99/15/11/806991511.db2.gz	OBEUDUBKKYVKMK-HUUCEWRRSA-N	1	0	357.458	1.796	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3CCC)C2)CC1	ZINC000980460269	807013870	/nfs/dbraw/zinc/01/38/70/807013870.db2.gz	YSSKAWJMSNCRKB-NXWXRZEISA-N	1	0	359.514	1.779	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1	ZINC000423467553	815091208	/nfs/dbraw/zinc/09/12/08/815091208.db2.gz	XRDSMYHIWVQTHN-IRXDYDNUSA-N	1	0	359.470	1.685	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1	ZINC000423521634	815111360	/nfs/dbraw/zinc/11/13/60/815111360.db2.gz	GIMDLHAYDFFBOO-XOYOTBSWSA-N	1	0	354.454	1.480	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCC2)C1	ZINC001112532671	807471277	/nfs/dbraw/zinc/47/12/77/807471277.db2.gz	PPXXKSDMHHVMHF-CLWJZODNSA-N	1	0	361.486	1.028	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1	ZINC000423548157	815127975	/nfs/dbraw/zinc/12/79/75/815127975.db2.gz	CAQYWHFPHHDGDC-RDTXWAMCSA-N	1	0	352.438	1.370	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1	ZINC000981111837	807570715	/nfs/dbraw/zinc/57/07/15/807570715.db2.gz	ZZZNWSMGBBNWDM-LESCRADOSA-N	1	0	371.485	1.774	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)C3CC(C)C3)C2)CC1	ZINC000981134391	807573472	/nfs/dbraw/zinc/57/34/72/807573472.db2.gz	SUGLZSGMKGYAPP-DHRZBBNESA-N	1	0	359.514	1.779	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1	ZINC000981179329	807658200	/nfs/dbraw/zinc/65/82/00/807658200.db2.gz	NYLVRNWYKZBJMF-HDMKZQKVSA-N	1	0	371.485	1.774	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCn2cnccc2=O)C[C@H]1c1ccccc1	ZINC001211698588	807787973	/nfs/dbraw/zinc/78/79/73/807787973.db2.gz	WSJGQFJEXRTIIA-RBUKOAKNSA-N	1	0	364.449	1.241	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C#Cc1ccc2c(c1)OCO2	ZINC000278958998	807919030	/nfs/dbraw/zinc/91/90/30/807919030.db2.gz	ZUZNERUDFPULOM-OAHLLOKOSA-N	1	0	356.422	1.479	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1	ZINC000981375220	807975705	/nfs/dbraw/zinc/97/57/05/807975705.db2.gz	AQBQWQUUBJWZHI-QILLFSRXSA-N	1	0	354.454	1.029	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@](CO)(OC)C1)C(C)C	ZINC000663667372	808388480	/nfs/dbraw/zinc/38/84/80/808388480.db2.gz	GMWAHTXIRMPWNL-HKUYNNGSSA-N	1	0	353.507	1.868	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2oncc2C)C[C@H]1c1ccccc1	ZINC001211700840	808493546	/nfs/dbraw/zinc/49/35/46/808493546.db2.gz	YCHIBJLIOYBCEO-DLBZAZTESA-N	1	0	368.437	1.483	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CC2(C1)CCC[N@H+](CC#Cc1ccccc1)C2	ZINC000981820866	808556147	/nfs/dbraw/zinc/55/61/47/808556147.db2.gz	NNJMTGPECAKZLG-ICSRJNTNSA-N	1	0	368.477	1.766	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)n1	ZINC000279172080	808561122	/nfs/dbraw/zinc/56/11/22/808561122.db2.gz	FUWUUIYKAMCADT-LJQANCHMSA-N	1	0	374.533	1.320	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)nc1	ZINC000981844646	808611056	/nfs/dbraw/zinc/61/10/56/808611056.db2.gz	UFMRPQHEZREGRO-BPQIPLTHSA-N	1	0	368.481	1.419	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1	ZINC001028142625	808652383	/nfs/dbraw/zinc/65/23/83/808652383.db2.gz	PYKJOEADZKXYIP-KSZLIROESA-N	1	0	357.454	1.457	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@@H]1CCC[C@H]1CCO	ZINC000279310278	808859408	/nfs/dbraw/zinc/85/94/08/808859408.db2.gz	RGYBFVQCDCPBRF-WMLDXEAASA-N	1	0	353.426	1.823	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C(N)=O)cc2)CC1	ZINC000981992749	808942843	/nfs/dbraw/zinc/94/28/43/808942843.db2.gz	GOZGGQIOYQULOZ-MSOLQXFVSA-N	1	0	357.454	1.411	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	ZINC000504469940	815256859	/nfs/dbraw/zinc/25/68/59/815256859.db2.gz	UJTIMGZEPLTYNE-UHFFFAOYSA-N	1	0	372.513	1.886	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCO)CC[C@@H]1c1ccccc1	ZINC001087439024	809073452	/nfs/dbraw/zinc/07/34/52/809073452.db2.gz	AGXKYDSNMPPCED-WCIQWLHISA-N	1	0	358.482	1.934	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000418612384	809076660	/nfs/dbraw/zinc/07/66/60/809076660.db2.gz	IVEYEEBSVICBPI-HNNXBMFYSA-N	1	0	369.391	1.536	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)N[C@@H](C[NH3+])C3CCCC3)CC2)cc1	ZINC000418632510	809089364	/nfs/dbraw/zinc/08/93/64/809089364.db2.gz	ZADKKXFHVJSKNZ-IBGZPJMESA-N	1	0	355.486	1.903	20	30		FDEDRO
COC[C@]1(CNC(=O)N(C)CCOCc2ccc(C#N)cc2)CCC[NH2+]1	ZINC000418648248	809102322	/nfs/dbraw/zinc/10/23/22/809102322.db2.gz	ZAYAFJQJTXKYJG-LJQANCHMSA-N	1	0	360.458	1.485	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CCC)NC(N)=O)C[C@H]1c1ccccc1	ZINC001211715925	809148092	/nfs/dbraw/zinc/14/80/92/809148092.db2.gz	XYQZQXZTZACOJW-RCCFBDPRSA-N	1	0	358.486	1.984	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cnn(CC(C)C)c2C)CC1	ZINC000500528497	809175237	/nfs/dbraw/zinc/17/52/37/809175237.db2.gz	WTDDAGNDVHETJV-UHFFFAOYSA-N	1	0	361.490	1.943	20	30		FDEDRO
C[NH+]=C(NCc1ccc2c(c1)COC2)N[C@@H]1CCc2nc(COC)nn2C1	ZINC000261657687	809231864	/nfs/dbraw/zinc/23/18/64/809231864.db2.gz	AIOIRUSXBZVUKU-MRXNPFEDSA-N	1	0	370.457	1.135	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cn2c(C)csc2=O)C[C@H]1c1ccccc1	ZINC001211721006	809273195	/nfs/dbraw/zinc/27/31/95/809273195.db2.gz	VOHJHLNJONDFMB-ZWKOTPCHSA-N	1	0	369.490	1.826	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)Cn2ccnc2C)C[C@H]1c1ccccc1	ZINC001211723047	809310648	/nfs/dbraw/zinc/31/06/48/809310648.db2.gz	ODUXYQDJSJHRPV-VQTJNVASSA-N	1	0	366.465	1.426	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CCC(CC[NH2+]C)CC1	ZINC000418931679	809324340	/nfs/dbraw/zinc/32/43/40/809324340.db2.gz	DZXVXQNPGZPTGW-UHFFFAOYSA-N	1	0	359.470	1.716	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1	ZINC000410688669	809640537	/nfs/dbraw/zinc/64/05/37/809640537.db2.gz	OFVGXKHSROZGHI-JWTNVVGKSA-N	1	0	362.518	1.180	20	30		FDEDRO
C[C@]1(C#N)CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCO1	ZINC000893739418	809692044	/nfs/dbraw/zinc/69/20/44/809692044.db2.gz	ALNGWBLQMQRCIY-NUJGCVRESA-N	1	0	350.463	1.078	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CN2C(=O)CCC2=O)C1	ZINC001087442888	809768433	/nfs/dbraw/zinc/76/84/33/809768433.db2.gz	HDQAMWIZCIMGOJ-QZTJIDSGSA-N	1	0	367.449	1.133	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H](C)N2CCOCC2)C1	ZINC001087446512	809874499	/nfs/dbraw/zinc/87/44/99/809874499.db2.gz	BDWCQDVTRISFAV-CEWLAPEOSA-N	1	0	369.509	1.705	20	30		FDEDRO
COc1cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)ccc1OCC(=O)N1CCOCC1	ZINC000424205011	815326881	/nfs/dbraw/zinc/32/68/81/815326881.db2.gz	VYRHGSHEFJJHKW-DOTOQJQBSA-N	1	0	373.453	1.715	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCC=C)C[C@H]1c1ccccc1	ZINC001211736043	809925222	/nfs/dbraw/zinc/92/52/22/809925222.db2.gz	FJLMLLQQJXWDBP-NZSAHSFTSA-N	1	0	371.481	1.464	20	30		FDEDRO
CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)N[C@H]3CCC[C@H]3C#N)CC2)C1	ZINC000332913351	809938942	/nfs/dbraw/zinc/93/89/42/809938942.db2.gz	RKWGCUCVKDEMAH-KSZLIROESA-N	1	0	363.506	1.115	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC1	ZINC000780932443	810026270	/nfs/dbraw/zinc/02/62/70/810026270.db2.gz	ODKHASLLQQWGSX-RTBURBONSA-N	1	0	356.470	1.220	20	30		FDEDRO
C#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2nccnc2N)C1	ZINC001087453152	810037048	/nfs/dbraw/zinc/03/70/48/810037048.db2.gz	DCZQJMGHOXGLQV-HZPDHXFCSA-N	1	0	353.401	1.419	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)COCc2ccnn2C)C[C@H]1C(F)(F)F	ZINC001112121316	810077819	/nfs/dbraw/zinc/07/78/19/810077819.db2.gz	GVGGQRJWHLCNBC-ZIAGYGMSSA-N	1	0	360.380	1.492	20	30		FDEDRO
CCN(CC[NH+]1CCCCCC1)C(=O)C(=O)Nc1cc(C)n(CCC#N)n1	ZINC000509773094	810083208	/nfs/dbraw/zinc/08/32/08/810083208.db2.gz	QDRVLZWYRYHHOR-UHFFFAOYSA-N	1	0	374.489	1.768	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H]([C@H]2CCCO2)C2(CO)CCC2)CC1	ZINC000664019181	810172612	/nfs/dbraw/zinc/17/26/12/810172612.db2.gz	ICIXZCGNKYPHFT-SJORKVTESA-N	1	0	351.491	1.646	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCNC(=O)[C@@H]2c2cccc(C)c2)CC1	ZINC000664020336	810174540	/nfs/dbraw/zinc/17/45/40/810174540.db2.gz	QRXLOWNLYAQDNE-SFHVURJKSA-N	1	0	356.470	1.828	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)c1ccc(C#N)cc1	ZINC000419272314	810294185	/nfs/dbraw/zinc/29/41/85/810294185.db2.gz	AVQFCILMDFBVPV-OAHLLOKOSA-N	1	0	350.422	1.723	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)c1ccc(C#N)cc1	ZINC000419277365	810299396	/nfs/dbraw/zinc/29/93/96/810299396.db2.gz	GKZKRZLSNFOMDK-MDASCCDHSA-N	1	0	362.433	1.689	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+]([C@H]3CCCNC3=O)C[C@]2(C)C1	ZINC000982575501	810428268	/nfs/dbraw/zinc/42/82/68/810428268.db2.gz	WLIPFOYVTKXGRX-GTXWJXBTSA-N	1	0	361.486	1.027	20	30		FDEDRO
C[NH+]=C(NCc1ccc(F)c(F)c1)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261755203	810712364	/nfs/dbraw/zinc/71/23/64/810712364.db2.gz	NUYSIXSFYHWIGE-UHFFFAOYSA-N	1	0	362.384	1.123	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1C[C@@H]1C1CCCCC1)N1CCN(C(C)(C)C(N)=O)CC1	ZINC000261759567	810737994	/nfs/dbraw/zinc/73/79/94/810737994.db2.gz	ODFMUQDUUDWUBX-IAGOWNOFSA-N	1	0	363.550	1.802	20	30		FDEDRO
CCCC[N@H+](C)CCNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000473517967	810936549	/nfs/dbraw/zinc/93/65/49/810936549.db2.gz	CFANRCPVZVOTLN-GOSISDBHSA-N	1	0	356.470	1.897	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)C[C@@H]2O)c1	ZINC001083392782	811208853	/nfs/dbraw/zinc/20/88/53/811208853.db2.gz	YPQIQSPZOUUBLL-MOPGFXCFSA-N	1	0	350.422	1.739	20	30		FDEDRO
C[NH+]=C(NCc1nnc(C)n1C)N1CCN(c2cc(F)ccc2F)CC1	ZINC000261707680	811301954	/nfs/dbraw/zinc/30/19/54/811301954.db2.gz	JRHALVRBIVMZPE-UHFFFAOYSA-N	1	0	363.416	1.299	20	30		FDEDRO
C[NH+]=C(NCC1(N(C)C)Cc2ccccc2C1)N1CCO[C@H](COC)C1	ZINC000261951901	811351910	/nfs/dbraw/zinc/35/19/10/811351910.db2.gz	OBJBVUIYQVZQLD-SFHVURJKSA-N	1	0	360.502	1.008	20	30		FDEDRO
[NH2+]=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCN(c2ncccn2)CC1	ZINC000262021145	811368963	/nfs/dbraw/zinc/36/89/63/811368963.db2.gz	XWBPVSHVTADRRG-UHFFFAOYSA-N	1	0	355.402	1.064	20	30		FDEDRO
CC[NH+]=C(NCC1(C)CCCC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1	ZINC000261790641	811413867	/nfs/dbraw/zinc/41/38/67/811413867.db2.gz	QIRUBRUFDBDDQF-LJQANCHMSA-N	1	0	363.506	1.842	20	30		FDEDRO
CC[C@@H](C)[NH+]=C(NCC(=O)N(C)C)N1CCN(c2ncccc2F)CC1	ZINC000262268856	811428120	/nfs/dbraw/zinc/42/81/20/811428120.db2.gz	GKVOYXHVGVBTSJ-CQSZACIVSA-N	1	0	364.469	1.175	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1	ZINC000513379323	811432798	/nfs/dbraw/zinc/43/27/98/811432798.db2.gz	YGHCEFHBHWCZGS-MRXNPFEDSA-N	1	0	374.485	1.778	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1	ZINC000513379322	811432935	/nfs/dbraw/zinc/43/29/35/811432935.db2.gz	YGHCEFHBHWCZGS-INIZCTEOSA-N	1	0	374.485	1.778	20	30		FDEDRO
COC[C@@H]1CCN(C(N[C@H]2CCOc3ccccc32)=[NH+]CC(=O)N(C)C)C1	ZINC000262326066	811442541	/nfs/dbraw/zinc/44/25/41/811442541.db2.gz	TXCOTIOQSIEPON-WBVHZDCISA-N	1	0	374.485	1.512	20	30		FDEDRO
CN(C)C(=O)C[NH+]=C(NCc1ccnn1C)N[C@@H]1CCOc2ccccc21	ZINC000262330751	811443654	/nfs/dbraw/zinc/44/36/54/811443654.db2.gz	UYBAHBMFSINBSJ-MRXNPFEDSA-N	1	0	370.457	1.067	20	30		FDEDRO
C[NH+]=C(NCCc1cn2ccccc2n1)N1CC[C@H](c2cnn(C)c2)C1	ZINC000262491648	811478269	/nfs/dbraw/zinc/47/82/69/811478269.db2.gz	VEQRDIMMBQEBTD-HNNXBMFYSA-N	1	0	351.458	1.675	20	30		FDEDRO
CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CSCC#N)C1	ZINC001111600855	811506065	/nfs/dbraw/zinc/50/60/65/811506065.db2.gz	AHMNDWWKPSNEIN-MPGHIAIKSA-N	1	0	366.531	1.469	20	30		FDEDRO
N#C[C@@H]1CN(C[C@H](O)COCc2ccco2)C[C@]12C(=O)Nc1ccccc12	ZINC000513661553	811664680	/nfs/dbraw/zinc/66/46/80/811664680.db2.gz	SYOLREJDUUQQKX-SIFCLUCFSA-N	1	0	367.405	1.503	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[N@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000280214050	811742369	/nfs/dbraw/zinc/74/23/69/811742369.db2.gz	KLADSQAWRPWSLS-OAHLLOKOSA-N	1	0	365.433	1.443	20	30		FDEDRO
C=CCCCNC(=O)C(=O)Nc1cccc(C(=O)NCC[NH+](CC)CC)c1	ZINC000280576111	811858704	/nfs/dbraw/zinc/85/87/04/811858704.db2.gz	WGKUYBRZPDYICU-UHFFFAOYSA-N	1	0	374.485	1.779	20	30		FDEDRO
N#Cc1cccc(CNC(=O)CN(CCC(N)=O)Cc2ccccc2)c1	ZINC000513706968	812042380	/nfs/dbraw/zinc/04/23/80/812042380.db2.gz	XINDPVDFJYKMGJ-UHFFFAOYSA-N	1	0	350.422	1.552	20	30		FDEDRO
N#Cc1ccccc1-c1ccc(CNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)cc1	ZINC000419643124	812069483	/nfs/dbraw/zinc/06/94/83/812069483.db2.gz	NZPUTDXLIWTPQX-INIZCTEOSA-N	1	0	362.433	1.649	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NCC1([NH3+])CCCCC1	ZINC000419823388	812216739	/nfs/dbraw/zinc/21/67/39/812216739.db2.gz	SAIFFYNFGVZHJJ-UHFFFAOYSA-N	1	0	374.441	1.887	20	30		FDEDRO
N#Cc1ccc(OC2CN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCCC3)C2)cc1	ZINC000419959078	812310727	/nfs/dbraw/zinc/31/07/27/812310727.db2.gz	CZMDLXPDJYOWGT-GOSISDBHSA-N	1	0	370.453	1.172	20	30		FDEDRO
CC(C)[N@H+](C)CCNC(=O)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000514002998	815569973	/nfs/dbraw/zinc/56/99/73/815569973.db2.gz	FFJZQWOJDISRIS-AUUYWEPGSA-N	1	0	355.442	1.382	20	30		FDEDRO
CCCC[N@H+](C)CCNC(=O)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000514026088	815571220	/nfs/dbraw/zinc/57/12/20/815571220.db2.gz	CPRUCGFSITYXIY-FOIQADDNSA-N	1	0	369.469	1.773	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1	ZINC000420001509	813392765	/nfs/dbraw/zinc/39/27/65/813392765.db2.gz	QARKGABKGZBZPO-KRWDZBQOSA-N	1	0	356.470	1.801	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1	ZINC000420092798	813469969	/nfs/dbraw/zinc/46/99/69/813469969.db2.gz	WJZOXSWPHGKFMN-GOSISDBHSA-N	1	0	354.454	1.707	20	30		FDEDRO
C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)cc1	ZINC000420124277	813485511	/nfs/dbraw/zinc/48/55/11/813485511.db2.gz	MIOVQCJKFZLKOG-AWEZNQCLSA-N	1	0	350.422	1.853	20	30		FDEDRO
N#Cc1cccc(OC2CCN(C(=O)C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)CC2)c1	ZINC000420185879	813519196	/nfs/dbraw/zinc/51/91/96/813519196.db2.gz	BZOGLHRBUHZOHK-HZPDHXFCSA-N	1	0	370.453	1.172	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)CC2)cc1	ZINC000420205506	813537344	/nfs/dbraw/zinc/53/73/44/813537344.db2.gz	PITBJWWESIHJTD-CVEARBPZSA-N	1	0	370.453	1.172	20	30		FDEDRO
CCc1nc(CN2C[C@@H]3C[N@@H+](CCOc4ccc(C#N)cc4)C[C@@H]3C2)no1	ZINC000366699860	813821138	/nfs/dbraw/zinc/82/11/38/813821138.db2.gz	WDKHRKRBVHGNNK-CALCHBBNSA-N	1	0	367.453	1.946	20	30		FDEDRO
C[NH+]=C(NCCn1ccnc1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1	ZINC000261845560	814226015	/nfs/dbraw/zinc/22/60/15/814226015.db2.gz	XDODQGRGXYFPLX-UHFFFAOYSA-N	1	0	374.876	1.456	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N3CC[NH+]4CCC3CC4)C2=O)cc1	ZINC000367048373	814278214	/nfs/dbraw/zinc/27/82/14/814278214.db2.gz	ULZZYBUCSTYOBZ-SFHVURJKSA-N	1	0	367.453	1.149	20	30		FDEDRO
Cn1ccnc1C[C@H]1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000367089494	814318252	/nfs/dbraw/zinc/31/82/52/814318252.db2.gz	LKKUADPYDMQETJ-GOSISDBHSA-N	1	0	351.454	1.863	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1	ZINC000270885592	814322795	/nfs/dbraw/zinc/32/27/95/814322795.db2.gz	BNNYTVWJHYDLJD-IEBWSBKVSA-N	1	0	356.470	1.191	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN(Cc2ncc[nH]2)CC1)C(C)C	ZINC000502947080	814330117	/nfs/dbraw/zinc/33/01/17/814330117.db2.gz	CWDZBTFYSHHGLL-SFHVURJKSA-N	1	0	374.533	1.936	20	30		FDEDRO
N#Cc1ccc(N2CCC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)cc1	ZINC000367123800	814429194	/nfs/dbraw/zinc/42/91/94/814429194.db2.gz	XUAVPMIGLARHMW-UHFFFAOYSA-N	1	0	367.409	1.840	20	30		FDEDRO
CN(C(=O)Cn1cnc(C#N)n1)c1ccc(OCC[NH+]2CCCC2)cc1	ZINC000434182763	814787287	/nfs/dbraw/zinc/78/72/87/814787287.db2.gz	XVTXQYYREFKIEN-UHFFFAOYSA-N	1	0	354.414	1.287	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](OCC)C1	ZINC000983139186	814802261	/nfs/dbraw/zinc/80/22/61/814802261.db2.gz	PUTBUOIUNFCPCM-HZPDHXFCSA-N	1	0	363.502	1.274	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)NCC(C)(C)CC#N	ZINC000422269725	814804302	/nfs/dbraw/zinc/80/43/02/814804302.db2.gz	MZXAQGCWJNTBFT-UHFFFAOYSA-N	1	0	360.458	1.299	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](O)c4ccccc4F)C[C@H]32)c[nH]1	ZINC001075703531	815597297	/nfs/dbraw/zinc/59/72/97/815597297.db2.gz	GOMZKJJCOSHVDF-MJXNMMHHSA-N	1	0	368.412	1.905	20	30		FDEDRO
COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1	ZINC000434720580	815716839	/nfs/dbraw/zinc/71/68/39/815716839.db2.gz	URYAPTDNJNPCFZ-NVXWUHKLSA-N	1	0	372.469	1.750	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cn(C)nc2C(F)F)C1	ZINC001028809008	815777815	/nfs/dbraw/zinc/77/78/15/815777815.db2.gz	JHDBHFSCVXFGHR-CFVMTHIKSA-N	1	0	368.428	1.887	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]Cc1nnc(C(C)C)n1C	ZINC001167956604	815785920	/nfs/dbraw/zinc/78/59/20/815785920.db2.gz	DUFMZKLCVSXKMJ-RDJZCZTQSA-N	1	0	363.506	1.906	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)N[C@@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1	ZINC000514627438	815909394	/nfs/dbraw/zinc/90/93/94/815909394.db2.gz	JMVDVQHFMXMAPE-MSOLQXFVSA-N	1	0	357.454	1.734	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000425388007	816064381	/nfs/dbraw/zinc/06/43/81/816064381.db2.gz	RTJSEWNXBMEICW-QAPCUYQASA-N	1	0	352.438	1.550	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(NC(C)=O)cc2OC)CC1	ZINC000435838784	816200749	/nfs/dbraw/zinc/20/07/49/816200749.db2.gz	XUMBBRRHNVSHRP-UHFFFAOYSA-N	1	0	374.441	1.359	20	30		FDEDRO
C=CCn1cc(CNC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)nn1	ZINC000425490186	816365418	/nfs/dbraw/zinc/36/54/18/816365418.db2.gz	OZFXTXMGRHJKGV-GOSISDBHSA-N	1	0	370.457	1.030	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCCN1C(=O)c2ccccc2C1=O	ZINC000425549714	816506774	/nfs/dbraw/zinc/50/67/74/816506774.db2.gz	VTHRDRMPOLCLMK-ZDUSSCGKSA-N	1	0	372.425	1.005	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)NCCCC[NH+]1CCOCC1	ZINC000505824018	816517587	/nfs/dbraw/zinc/51/75/87/816517587.db2.gz	KHTCNWZULLRRSG-UHFFFAOYSA-N	1	0	359.470	1.972	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)/C=C/c4ccc[nH]4)[C@@H]3C2)C1=O	ZINC001075731076	816753603	/nfs/dbraw/zinc/75/36/03/816753603.db2.gz	UMNUCJDIGHTXMV-PKIFBNGUSA-N	1	0	354.454	1.348	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4c(C)ccn4C)[C@@H]3C2)C1=O	ZINC001075731137	816761978	/nfs/dbraw/zinc/76/19/78/816761978.db2.gz	XDXDMIRPPBYVJV-YESZJQIVSA-N	1	0	356.470	1.267	20	30		FDEDRO
COc1cc(CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)ccc1C#N	ZINC000516520026	816878775	/nfs/dbraw/zinc/87/87/75/816878775.db2.gz	CXPQQDYFEPCPHA-KRWDZBQOSA-N	1	0	372.469	1.821	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C)sn4)[C@@H]3C2)C1=O	ZINC001075735484	816956540	/nfs/dbraw/zinc/95/65/40/816956540.db2.gz	TXIADJHBTNYNTD-NUEKZKHPSA-N	1	0	360.483	1.385	20	30		FDEDRO
C=CCN(C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@H](C)COC	ZINC000664624668	817028283	/nfs/dbraw/zinc/02/82/83/817028283.db2.gz	JHDOFYRVIVOOFL-APWZRJJASA-N	1	0	361.486	1.986	20	30		FDEDRO
N#C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2C[NH+]2CCSCC2)C1	ZINC000425799353	817055429	/nfs/dbraw/zinc/05/54/29/817055429.db2.gz	BPZQDDZSQMPYRV-GOEBONIOSA-N	1	0	372.494	1.982	20	30		FDEDRO
N#CCCNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1	ZINC000427874227	817151658	/nfs/dbraw/zinc/15/16/58/817151658.db2.gz	HBWMVPOTRKSRMD-UHFFFAOYSA-N	1	0	371.441	1.469	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc1C#N	ZINC000425820929	817162355	/nfs/dbraw/zinc/16/23/55/817162355.db2.gz	PNKPGUCUSQKFCY-WMLDXEAASA-N	1	0	370.453	1.837	20	30		FDEDRO
CCCN(CC[NH+](C)C)C(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000473581893	817163416	/nfs/dbraw/zinc/16/34/16/817163416.db2.gz	JKPMDVRDKFCXRL-SFHVURJKSA-N	1	0	356.470	1.849	20	30		FDEDRO
CCC(=O)N1CC[C@@H](NC(NCc2nnc(C)n2C)=[NH+]C2CCCC2)C1	ZINC000261946909	817269062	/nfs/dbraw/zinc/26/90/62/817269062.db2.gz	GDELKMRZUALGSY-OAHLLOKOSA-N	1	0	361.494	1.112	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1	ZINC000425871122	817272672	/nfs/dbraw/zinc/27/26/72/817272672.db2.gz	MGDXFUMWHDKHAC-OTWHNJEPSA-N	1	0	371.481	1.647	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1	ZINC000425880828	817287986	/nfs/dbraw/zinc/28/79/86/817287986.db2.gz	CCNMJBVCZNXDAE-XLAORIBOSA-N	1	0	357.454	1.255	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)Cc3c(F)cccc3C#N)CC2)CC1	ZINC000509559127	817744139	/nfs/dbraw/zinc/74/41/39/817744139.db2.gz	KVMDCQBZZPXNHQ-UHFFFAOYSA-N	1	0	358.461	1.915	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc[nH]c4CC)[C@@H]3C2)C1=O	ZINC001075756224	817904854	/nfs/dbraw/zinc/90/48/54/817904854.db2.gz	RGPZGDZLFYYWIA-BMGDILEWSA-N	1	0	356.470	1.510	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1	ZINC000518727530	817972654	/nfs/dbraw/zinc/97/26/54/817972654.db2.gz	UDNCDSYJHBVERV-SUMWQHHRSA-N	1	0	373.432	1.809	20	30		FDEDRO
N#Cc1cccc(NCC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)c1	ZINC000426399805	817975299	/nfs/dbraw/zinc/97/52/99/817975299.db2.gz	DBWPUNAKYOBXSV-UHFFFAOYSA-N	1	0	356.470	1.931	20	30		FDEDRO
CN(C)C(=O)c1cccc(CC[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c1	ZINC000439612109	818020630	/nfs/dbraw/zinc/02/06/30/818020630.db2.gz	QOMCOGATPLQMPW-GOSISDBHSA-N	1	0	350.422	1.619	20	30		FDEDRO
C[C@H]1CC[N@H+](CCNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000894422890	818038533	/nfs/dbraw/zinc/03/85/33/818038533.db2.gz	OEUDMNFVRCDSOV-MAUKXSAKSA-N	1	0	369.469	1.300	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCCCCC[NH+]1CCCC1	ZINC000519527098	818057627	/nfs/dbraw/zinc/05/76/27/818057627.db2.gz	XOESYJXODPFSKJ-UHFFFAOYSA-N	1	0	361.494	1.704	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)N2CCC3(CC2)CC(=O)C=CO3)CC1(C)C	ZINC000894600512	818225420	/nfs/dbraw/zinc/22/54/20/818225420.db2.gz	BEWBDJUSPVYIAJ-UHFFFAOYSA-N	1	0	364.490	1.060	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)Cn2nccn2)C1	ZINC001087474494	818265256	/nfs/dbraw/zinc/26/52/56/818265256.db2.gz	IJRQHFJCROZSNJ-ROUUACIJSA-N	1	0	355.442	1.447	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cc1Cl	ZINC000894662666	818288393	/nfs/dbraw/zinc/28/83/93/818288393.db2.gz	YSMXIJCVVJASHY-IAGOWNOFSA-N	1	0	362.861	1.952	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1	ZINC000983720074	818704147	/nfs/dbraw/zinc/70/41/47/818704147.db2.gz	GWTHIECJZQQRGC-HFTRVMKXSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]C[C@@H](O)CC(F)(F)F	ZINC001167985357	818743449	/nfs/dbraw/zinc/74/34/49/818743449.db2.gz	GBXBOCRXOAJHNM-IHRRRGAJSA-N	1	0	352.397	1.767	20	30		FDEDRO
COC(=O)[C@@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)C[C@@H]1c1ccccc1	ZINC000519604337	818747746	/nfs/dbraw/zinc/74/77/46/818747746.db2.gz	DDWAHVVCEHZCJP-QZTJIDSGSA-N	1	0	361.405	1.990	20	30		FDEDRO
CC(C)(C)Oc1cccc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)n1	ZINC000262077377	818944979	/nfs/dbraw/zinc/94/49/79/818944979.db2.gz	DNJMJCJJZWGYQR-UHFFFAOYSA-N	1	0	369.473	1.686	20	30		FDEDRO
CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1	ZINC000519834271	819082988	/nfs/dbraw/zinc/08/29/88/819082988.db2.gz	SYCPDZSQNAHWHW-KRWDZBQOSA-N	1	0	369.469	1.875	20	30		FDEDRO
C[C@@H]1CCN(C(=O)CCc2ncc[nH]2)[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1	ZINC000983759419	819112493	/nfs/dbraw/zinc/11/24/93/819112493.db2.gz	PITYPHSLXLFXNK-HIFRSBDPSA-N	1	0	368.441	1.599	20	30		FDEDRO
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCOC2(C[NH2+]C2)C1	ZINC000415902288	819123251	/nfs/dbraw/zinc/12/32/51/819123251.db2.gz	XWGYZGPLQBHJBN-UHFFFAOYSA-N	1	0	357.454	1.678	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N2CCN(C3CC3)C(=O)C2)C[N@@H+]1Cc1ccccc1	ZINC000328708005	819539236	/nfs/dbraw/zinc/53/92/36/819539236.db2.gz	MCKDWFSIIMWZJT-WBVHZDCISA-N	1	0	356.470	1.870	20	30		FDEDRO
CC(C)(C)n1ncnc1CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000328780697	819555826	/nfs/dbraw/zinc/55/58/26/819555826.db2.gz	JFYYFTFWKFHLQV-CQSZACIVSA-N	1	0	364.494	1.538	20	30		FDEDRO
Cn1nccc1[C@@H]1[C@@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC(=O)N1C	ZINC000328837035	819561681	/nfs/dbraw/zinc/56/16/81/819561681.db2.gz	NBLNFERDJUCBLR-WPAKPSRZSA-N	1	0	359.474	1.911	20	30		FDEDRO
C[C@H](CNC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1)C[NH+]1CCCC1	ZINC000328853818	819567088	/nfs/dbraw/zinc/56/70/88/819567088.db2.gz	JHPWMXDQMNHORY-SJORKVTESA-N	1	0	366.506	1.203	20	30		FDEDRO
O=C(NCCc1cnc(C2CC2)nc1)N1CC[NH+](CC2CCOCC2)CC1	ZINC000328880769	819576167	/nfs/dbraw/zinc/57/61/67/819576167.db2.gz	WBQLJGHCZSUSRC-UHFFFAOYSA-N	1	0	373.501	1.855	20	30		FDEDRO
CN(Cc1ccccc1)C(=O)NCCC(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21	ZINC000328930146	819596264	/nfs/dbraw/zinc/59/62/64/819596264.db2.gz	AMZUMGDSTQHBKZ-MSOLQXFVSA-N	1	0	374.485	1.354	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC(NC(=O)C(C)C)CC2)C1	ZINC000330480061	819617354	/nfs/dbraw/zinc/61/73/54/819617354.db2.gz	QSQYOUYBBHHAMG-KRWDZBQOSA-N	1	0	368.522	1.494	20	30		FDEDRO
COc1cc(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)c(OC)c(C)c1OC	ZINC000331244393	819674513	/nfs/dbraw/zinc/67/45/13/819674513.db2.gz	OPUOUZAKVJYTJL-CYBMUJFWSA-N	1	0	366.462	1.593	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1=O	ZINC000520446051	819681244	/nfs/dbraw/zinc/68/12/44/819681244.db2.gz	OUVXFECEAITFSN-MSOLQXFVSA-N	1	0	356.470	1.539	20	30		FDEDRO
C[NH+]=C(NCc1cccc(OC)n1)N1CCN(C(=O)c2ccco2)CC1	ZINC000073982490	819820036	/nfs/dbraw/zinc/82/00/36/819820036.db2.gz	GKMVDSYAOKAYOH-UHFFFAOYSA-N	1	0	357.414	1.217	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1	ZINC000459051602	819903283	/nfs/dbraw/zinc/90/32/83/819903283.db2.gz	YAWJJYLNJPMBRP-MKXGPGLRSA-N	1	0	364.534	1.920	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1	ZINC000983921938	820111841	/nfs/dbraw/zinc/11/18/41/820111841.db2.gz	DEWUJMWSDRQOML-VYDXJSESSA-N	1	0	371.485	1.585	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)[C@H]2CCC[N@@H+]2C)cn1	ZINC000983950171	820265968	/nfs/dbraw/zinc/26/59/68/820265968.db2.gz	AWILHJCDWMCCRD-AYOQOUSVSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCS(C)(=O)=O)C1	ZINC001112158980	820298133	/nfs/dbraw/zinc/29/81/33/820298133.db2.gz	JBUGEHTZFOEQMP-YRGRVCCFSA-N	1	0	370.437	1.612	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2nccnc2N)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087524457	820425261	/nfs/dbraw/zinc/42/52/61/820425261.db2.gz	TXBWCGAWDQNZOS-JKSUJKDBSA-N	1	0	350.426	1.713	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(C#N)s3)C2)O1	ZINC000984016243	820547294	/nfs/dbraw/zinc/54/72/94/820547294.db2.gz	UVFXUYVHMGDWBN-VMUDFCTBSA-N	1	0	362.499	1.323	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087529445	820613438	/nfs/dbraw/zinc/61/34/38/820613438.db2.gz	HDURXVKQKBKMSK-IPMKNSEASA-N	1	0	356.470	1.358	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1	ZINC000441934020	820992647	/nfs/dbraw/zinc/99/26/47/820992647.db2.gz	OTLGAPMUOZEYKX-UHFFFAOYSA-N	1	0	374.441	1.075	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1F	ZINC000442273230	821108921	/nfs/dbraw/zinc/10/89/21/821108921.db2.gz	OYKWAZLZNSWCPG-ZDUSSCGKSA-N	1	0	374.416	1.253	20	30		FDEDRO
CC(=O)N1CCN(C(=O)CC[NH2+]Cc2cccc(OCCCC#N)c2)CC1	ZINC000521336855	821222788	/nfs/dbraw/zinc/22/27/88/821222788.db2.gz	CACJGUWFWWTUOR-UHFFFAOYSA-N	1	0	372.469	1.540	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1ccc(C(N)=O)cc1	ZINC001087545893	821252271	/nfs/dbraw/zinc/25/22/71/821252271.db2.gz	GZKNLJHVSHAGKK-FUHWJXTLSA-N	1	0	365.437	1.768	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC2CCC(C#N)CC2)CC1	ZINC000442722511	821278994	/nfs/dbraw/zinc/27/89/94/821278994.db2.gz	PQOATHZGMCXGAQ-UHFFFAOYSA-N	1	0	363.506	1.512	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cnn(CC)n2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087564200	821510941	/nfs/dbraw/zinc/51/09/41/821510941.db2.gz	NQAUWPUFFHKCLP-FUHWJXTLSA-N	1	0	352.442	1.953	20	30		FDEDRO
C=C(Cl)CN1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)[C@H]1CC	ZINC001087572228	821568050	/nfs/dbraw/zinc/56/80/50/821568050.db2.gz	IHUZQQRXGRRVSX-QWHCGFSZSA-N	1	0	355.866	1.493	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CC(=O)N(CC)C2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087592069	821633941	/nfs/dbraw/zinc/63/39/41/821633941.db2.gz	AARVKWVUQFCXEW-GBESFXJTSA-N	1	0	368.481	1.896	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(OC)n2)[C@@H]1CC	ZINC001087607038	821712610	/nfs/dbraw/zinc/71/26/10/821712610.db2.gz	HNVGZDZNLJPKRR-OTWHNJEPSA-N	1	0	370.497	1.657	20	30		FDEDRO
CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)[C@H]1CC	ZINC001087609343	821727248	/nfs/dbraw/zinc/72/72/48/821727248.db2.gz	IHXOEFIRVZOFQD-SFNKJDCFSA-N	1	0	358.486	1.973	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCNC2=O)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087610022	821729465	/nfs/dbraw/zinc/72/94/65/821729465.db2.gz	OHWCDFYAOUAXSY-HRCADAONSA-N	1	0	360.483	1.615	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)cn2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087663711	821960279	/nfs/dbraw/zinc/96/02/79/821960279.db2.gz	ZKTTXGCVONLGJQ-FUHWJXTLSA-N	1	0	365.437	1.435	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@]2(C)CNC(=O)C2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087668919	821971187	/nfs/dbraw/zinc/97/11/87/821971187.db2.gz	NKZBNSGMPIQAJV-QKLQHJQFSA-N	1	0	354.454	1.554	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3cccnc3C)[C@H]2CC)C1=O	ZINC001087724235	822221013	/nfs/dbraw/zinc/22/10/13/822221013.db2.gz	DHAKDGODLNXYGS-OTWHNJEPSA-N	1	0	370.497	1.689	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1	ZINC000984319448	822358088	/nfs/dbraw/zinc/35/80/88/822358088.db2.gz	BRBPFAXDLKQFPQ-KSZLIROESA-N	1	0	363.502	1.511	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCC(=O)N2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087759653	822375115	/nfs/dbraw/zinc/37/51/15/822375115.db2.gz	WZZRSQJHFPDCHM-CEXWTWQISA-N	1	0	353.466	1.676	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc(C)nc(C)n3)[C@H]2CC)C1=O	ZINC001087761475	822386282	/nfs/dbraw/zinc/38/62/82/822386282.db2.gz	VCIQUGYUFJWXRI-CGTJXYLNSA-N	1	0	371.485	1.463	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cn2nnc3c2CCCC3)C[C@H]1C(F)(F)F	ZINC001112167799	822442622	/nfs/dbraw/zinc/44/26/22/822442622.db2.gz	GFGDIIOTFAAPIC-TZMCWYRMSA-N	1	0	369.391	1.159	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3[nH]cnc3CC)[C@H]2CC)C1=O	ZINC001087813460	822480714	/nfs/dbraw/zinc/48/07/14/822480714.db2.gz	NMJXWXYXXOUKRC-ARFHVFGLSA-N	1	0	359.474	1.342	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3ccccn3)[C@H]2CC)CC1	ZINC000984439820	822539825	/nfs/dbraw/zinc/53/98/25/822539825.db2.gz	XXPUHJHPNJOBSI-PKOBYXMFSA-N	1	0	368.481	1.536	20	30		FDEDRO
N#Cc1cc(S(N)(=O)=O)ccc1N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12	ZINC000895571784	822654620	/nfs/dbraw/zinc/65/46/20/822654620.db2.gz	OURUSGQXQAJEMJ-CABCVRRESA-N	1	0	352.485	1.197	20	30		FDEDRO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1	ZINC000895614862	822674355	/nfs/dbraw/zinc/67/43/55/822674355.db2.gz	WSHHZSKNXHTYMV-AWEZNQCLSA-N	1	0	357.520	1.925	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccsc4)C[C@@H]3C2)C1=O	ZINC001087878389	822688534	/nfs/dbraw/zinc/68/85/34/822688534.db2.gz	VGPLBCRMIMLLBH-HYVNUMGLSA-N	1	0	359.495	1.929	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccsc4)C[C@@H]3C2)C1=O	ZINC001087878390	822688563	/nfs/dbraw/zinc/68/85/63/822688563.db2.gz	VGPLBCRMIMLLBH-PVAVHDDUSA-N	1	0	359.495	1.929	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1	ZINC000895690502	822699732	/nfs/dbraw/zinc/69/97/32/822699732.db2.gz	HWRSODSOGUZNRQ-IBGZPJMESA-N	1	0	355.442	1.558	20	30		FDEDRO
N#Cc1c(F)cccc1N1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1	ZINC000895694280	822700668	/nfs/dbraw/zinc/70/06/68/822700668.db2.gz	JUAFHESEBXPLDG-HNNXBMFYSA-N	1	0	358.417	1.067	20	30		FDEDRO
Cc1cc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)ncc1C#N	ZINC000457699820	828482019	/nfs/dbraw/zinc/48/20/19/828482019.db2.gz	OMQQUSQLPFAETK-GOSISDBHSA-N	1	0	350.422	1.758	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCOC3)C[C@@H]2C1	ZINC001087902915	822779620	/nfs/dbraw/zinc/77/96/20/822779620.db2.gz	UVXGFKKKDNMQOF-AOIWGVFYSA-N	1	0	369.465	1.884	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(=O)[nH]c(C4CC4)n3)CC[C@@H]2C1	ZINC001087912153	823781908	/nfs/dbraw/zinc/78/19/08/823781908.db2.gz	ZUFBCBCZUPUELK-CFVMTHIKSA-N	1	0	355.442	1.500	20	30		FDEDRO
Cc1cnc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]3C2)cn1	ZINC001087938717	824017607	/nfs/dbraw/zinc/01/76/07/824017607.db2.gz	HYNINFGTVMVXQD-CABCVRRESA-N	1	0	350.426	1.579	20	30		FDEDRO
O=C(Cc1cncnc1)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001087949073	824085125	/nfs/dbraw/zinc/08/51/25/824085125.db2.gz	IXZQQAKPTAIUKM-RTWAWAEBSA-N	1	0	360.461	1.851	20	30		FDEDRO
Cn1oc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4C#N)CC[C@@H]3C2)cc1=O	ZINC001087947943	824093302	/nfs/dbraw/zinc/09/33/02/824093302.db2.gz	AMZMNHYBRKLVMH-SJORKVTESA-N	1	0	366.421	1.444	20	30		FDEDRO
Cn1nncc1C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)CC[C@@H]2C1	ZINC001087953498	824130029	/nfs/dbraw/zinc/13/00/29/824130029.db2.gz	YVYVXSITJFJRPM-ZBFHGGJFSA-N	1	0	368.416	1.420	20	30		FDEDRO
Cn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4)CC[C@@H]3C2)nn1	ZINC001087956609	824146747	/nfs/dbraw/zinc/14/67/47/824146747.db2.gz	YBXFZXPQTQBVAU-SJORKVTESA-N	1	0	350.426	1.281	20	30		FDEDRO
CCn1ncc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)s4)CC[C@@H]3C2)n1	ZINC001087957169	824153729	/nfs/dbraw/zinc/15/37/29/824153729.db2.gz	BQOVJFJSVOLEQA-KGLIPLIRSA-N	1	0	370.482	1.825	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)CC[C@@H]3C2)[nH]1	ZINC001087959650	824189485	/nfs/dbraw/zinc/18/94/85/824189485.db2.gz	GYSLFIXCMALIGW-MSOLQXFVSA-N	1	0	364.453	1.508	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1	ZINC001087978955	824340483	/nfs/dbraw/zinc/34/04/83/824340483.db2.gz	BHMMOHVRSKECSF-CABCVRRESA-N	1	0	351.882	1.837	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCC3)CC[C@@H]2C1	ZINC001087979058	824340924	/nfs/dbraw/zinc/34/09/24/824340924.db2.gz	HHRMQBIWZXYHIS-CABCVRRESA-N	1	0	353.894	1.778	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2nn(C)c(C)c2Cl)C[C@H]1C(F)(F)F	ZINC001112172401	824491829	/nfs/dbraw/zinc/49/18/29/824491829.db2.gz	CAUCGDYBDFDGKB-GHMZBOCLSA-N	1	0	362.783	1.998	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1	ZINC000329043778	824544435	/nfs/dbraw/zinc/54/44/35/824544435.db2.gz	PCAFDOUKYGTNMI-BBWFWOEESA-N	1	0	365.522	1.757	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1COC[C@H]1n1ccnn1	ZINC000329066247	824553425	/nfs/dbraw/zinc/55/34/25/824553425.db2.gz	WMZJPSRZMUTXMR-NRSFXHEJSA-N	1	0	355.442	1.943	20	30		FDEDRO
Cc1nn(C)c(C)c1[C@H]1[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC(=O)N1C	ZINC000329084458	824567079	/nfs/dbraw/zinc/56/70/79/824567079.db2.gz	SYHWDJHASBUQPG-NVJLRMAKSA-N	1	0	361.490	1.996	20	30		FDEDRO
C[NH+]1CCC(CCNC(=O)N2CCC[C@](O)(C(=O)N3CCCC3)C2)CC1	ZINC000329131412	824617399	/nfs/dbraw/zinc/61/73/99/824617399.db2.gz	OUVLVNLHLKOODY-LJQANCHMSA-N	1	0	366.506	1.082	20	30		FDEDRO
CN(CC(=O)NC(=O)NC1CC1)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C	ZINC000329135330	824618069	/nfs/dbraw/zinc/61/80/69/824618069.db2.gz	QNAKYINZJSQDPF-SUMWQHHRSA-N	1	0	362.478	1.768	20	30		FDEDRO
CNC(=O)[C@H]1CN([C@@H](C)C(=O)Nc2cc(C)no2)C[C@@H]1c1cnn(C)c1	ZINC000329136864	824618908	/nfs/dbraw/zinc/61/89/08/824618908.db2.gz	RFDDMUGMVXLEDZ-YUTCNCBUSA-N	1	0	360.418	1.345	20	30		FDEDRO
Cc1ccn2ncc(C(=O)NC3CC[NH+]([C@@H]4CCN(C)C4=O)CC3)c2n1	ZINC000329152654	824632665	/nfs/dbraw/zinc/63/26/65/824632665.db2.gz	BIBUUQHFJLGRIJ-OAHLLOKOSA-N	1	0	356.430	1.037	20	30		FDEDRO
CC(C)[C@H](CNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O)N1CCOCC1	ZINC000329207379	824667113	/nfs/dbraw/zinc/66/71/13/824667113.db2.gz	FDMUQENBQIGOOQ-MHORFTMASA-N	1	0	369.506	1.119	20	30		FDEDRO
CO[C@@H]1[C@H](C)[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1(C)C	ZINC000329212196	824671833	/nfs/dbraw/zinc/67/18/33/824671833.db2.gz	HQUJRGMYOKTXBH-LVQVYYBASA-N	1	0	366.506	1.198	20	30		FDEDRO
O=C(NC1CC[NH+](C2CC2)CC1)N[C@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000329222806	824677820	/nfs/dbraw/zinc/67/78/20/824677820.db2.gz	WZBYBEVVHWXMCT-INIZCTEOSA-N	1	0	363.506	1.797	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccccc3N3C(=O)CCC3=O)[C@@H]2C1	ZINC000329235719	824686546	/nfs/dbraw/zinc/68/65/46/824686546.db2.gz	IVGNPIWUCRXLFZ-CZUORRHYSA-N	1	0	356.426	1.912	20	30		FDEDRO
C[C@@H](CNC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1)[N@@H+]1CCC[C@@H](C)C1	ZINC000329249681	824693217	/nfs/dbraw/zinc/69/32/17/824693217.db2.gz	TXUPAWMPMBFYID-LTIDMASMSA-N	1	0	367.490	1.470	20	30		FDEDRO
O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCO[C@]2(CCCOC2)C1	ZINC000329248013	824693229	/nfs/dbraw/zinc/69/32/29/824693229.db2.gz	WMTKTHUUUOQETN-LJQANCHMSA-N	1	0	367.490	1.427	20	30		FDEDRO
CCOc1cc(C)nc(N2CCN(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)n1	ZINC000329291186	824720022	/nfs/dbraw/zinc/72/00/22/824720022.db2.gz	IOZYHTNBOBXXSE-HNNXBMFYSA-N	1	0	374.489	1.456	20	30		FDEDRO
C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)cn2)C[C@H](C)O1	ZINC000329308502	824726643	/nfs/dbraw/zinc/72/66/43/824726643.db2.gz	QELLJRVZKAGNSA-HLLBOEOZSA-N	1	0	373.501	1.936	20	30		FDEDRO
CC(C)C[NH+]1CCN(C(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1	ZINC000329339009	824743083	/nfs/dbraw/zinc/74/30/83/824743083.db2.gz	NJXLSSSWKUMNEO-KRWDZBQOSA-N	1	0	365.522	1.854	20	30		FDEDRO
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NCCc2cnccn2)CC1	ZINC000329364195	824756504	/nfs/dbraw/zinc/75/65/04/824756504.db2.gz	HVRKCABVORHBAX-IAGOWNOFSA-N	1	0	360.506	1.424	20	30		FDEDRO
C[N@H+](CCNC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)C1CC1	ZINC000329404423	824772832	/nfs/dbraw/zinc/77/28/32/824772832.db2.gz	BMDANJBSPXZBCP-UHFFFAOYSA-N	1	0	365.522	1.015	20	30		FDEDRO
COCCn1cc2c(n1)[C@@H](NC(=O)N1CC[C@H]3CC[C@@H](C1)[N@@H+]3C)CCC2	ZINC000329555212	824877638	/nfs/dbraw/zinc/87/76/38/824877638.db2.gz	GZHFQZJMPKNOQG-IKGGRYGDSA-N	1	0	361.490	1.989	20	30		FDEDRO
CC(=O)NC[C@@H]1CN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CCO1	ZINC000329567595	824888173	/nfs/dbraw/zinc/88/81/73/824888173.db2.gz	PGCJYJRNGZUWSO-MRXNPFEDSA-N	1	0	368.478	1.223	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000984790769	824921503	/nfs/dbraw/zinc/92/15/03/824921503.db2.gz	XLFPCRGWTYCCSJ-DFEHZGFQSA-N	1	0	371.485	1.726	20	30		FDEDRO
O=C(C[C@H]1CCNC1=O)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001087990559	824934413	/nfs/dbraw/zinc/93/44/13/824934413.db2.gz	LAOFTTVGWXNYLK-AQNXPRMDSA-N	1	0	365.477	1.345	20	30		FDEDRO
CC(C)C(=O)N1CCC(NC(=O)N2CC[NH+](C3CCOCC3)CC2)CC1	ZINC000329628653	825047629	/nfs/dbraw/zinc/04/76/29/825047629.db2.gz	UUQRHWRACDILOU-UHFFFAOYSA-N	1	0	366.506	1.344	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)CC[C@@H]2C1	ZINC001088004886	825131942	/nfs/dbraw/zinc/13/19/42/825131942.db2.gz	YHVQJFPRRBTNNH-OLZOCXBDSA-N	1	0	371.466	1.951	20	30		FDEDRO
C=C(Br)CN1CC[C@@H]2CN(C(=O)[C@H]3CCCC(=O)N3)C[C@@H]2C1	ZINC001088006272	825163852	/nfs/dbraw/zinc/16/38/52/825163852.db2.gz	WUKXJJKRWSUBEW-HZSPNIEDSA-N	1	0	370.291	1.344	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@H]1CCCN(c2cccc(F)c2)C1)=[NH+]C1CC1	ZINC000262320460	825174737	/nfs/dbraw/zinc/17/47/37/825174737.db2.gz	RSSGQVUMWFSMAI-INIZCTEOSA-N	1	0	361.465	1.580	20	30		FDEDRO
COc1cc(OC)cc(OCCC[N@H+](C)CC(=O)NC2(C#N)CCC2)c1	ZINC000525886729	828747326	/nfs/dbraw/zinc/74/73/26/828747326.db2.gz	XJSSATUNZSMKBE-UHFFFAOYSA-N	1	0	361.442	1.967	20	30		FDEDRO
C[N@H+](Cc1ccc(F)c(C#N)c1)C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1	ZINC000985651307	828748492	/nfs/dbraw/zinc/74/84/92/828748492.db2.gz	UICWXLSATKRFSP-CVEARBPZSA-N	1	0	358.417	1.242	20	30		FDEDRO
COc1ccc(C[N@H+](C)C2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)cc1C#N	ZINC000985651312	828748677	/nfs/dbraw/zinc/74/86/77/828748677.db2.gz	UIZGKLSYADDKER-SJORKVTESA-N	1	0	370.453	1.111	20	30		FDEDRO
C[N@H+](Cc1cccc(C#N)c1)C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1	ZINC000985651851	828751550	/nfs/dbraw/zinc/75/15/50/828751550.db2.gz	XBXOGXVQKDXOLJ-ZWKOTPCHSA-N	1	0	370.453	1.014	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CS(=O)(=O)C3CCCC3)C[C@@H]2C1	ZINC001088015507	825262303	/nfs/dbraw/zinc/26/23/03/825262303.db2.gz	QGCIARHHDLUWPV-CVEARBPZSA-N	1	0	354.516	1.700	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@H]2CC)cn1	ZINC000984894805	825278229	/nfs/dbraw/zinc/27/82/29/825278229.db2.gz	DZYNQSTZGMPJLA-RYQLBKOJSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)C[C@@H]2C1	ZINC001088018837	825307672	/nfs/dbraw/zinc/30/76/72/825307672.db2.gz	NBUGJXQBXWGPHY-OAGGEKHMSA-N	1	0	359.474	1.293	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)CN3C(=O)NC(=O)C3(C)C)cn2)CC1	ZINC000329764509	825435687	/nfs/dbraw/zinc/43/56/87/825435687.db2.gz	VTZZNFGJLAXIOF-UHFFFAOYSA-N	1	0	374.445	1.461	20	30		FDEDRO
[O-]C(=[NH+]C1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCC[C@H](n2cncn2)C1	ZINC000329768441	825439595	/nfs/dbraw/zinc/43/95/95/825439595.db2.gz	GPMVAHVWMCDCOC-RDJZCZTQSA-N	1	0	362.478	1.330	20	30		FDEDRO
CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)N[C@@H](C)[C@@H]3CCOC3)CC2)C1	ZINC000329769352	825440284	/nfs/dbraw/zinc/44/02/84/825440284.db2.gz	HRXIUTVEFVEOFL-RCCFBDPRSA-N	1	0	368.522	1.052	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc3n(n2)CCC3)C1	ZINC000984918266	825440301	/nfs/dbraw/zinc/44/03/01/825440301.db2.gz	XREGSOSVJDIWJI-LNMJFAINSA-N	1	0	358.486	1.795	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)CC[N@@H+]1C	ZINC000329819774	825480960	/nfs/dbraw/zinc/48/09/60/825480960.db2.gz	XXEOJFYSQRYNBI-PBHICJAKSA-N	1	0	362.449	1.980	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@H]2CCc3c[nH]nc3C2)CC1	ZINC000329828553	825487980	/nfs/dbraw/zinc/48/79/80/825487980.db2.gz	DGTZXHHLHZSIBP-DLBZAZTESA-N	1	0	360.506	1.283	20	30		FDEDRO
CC(=O)N1CC[C@@H](NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C1	ZINC000329935483	825551339	/nfs/dbraw/zinc/55/13/39/825551339.db2.gz	RBGOKPZWQVUDPH-GOSISDBHSA-N	1	0	358.486	1.948	20	30		FDEDRO
C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1cc(-n2cnnn2)ccc1F	ZINC000329988797	825579996	/nfs/dbraw/zinc/57/99/96/825579996.db2.gz	URXLWWGDHWKDGO-OCCSQVGLSA-N	1	0	359.409	1.558	20	30		FDEDRO
C[C@@H](NC(=O)NC[C@@H]1C[C@H](F)CN1c1cccnn1)C1=CC[N@H+](C)CC1	ZINC000329990741	825584144	/nfs/dbraw/zinc/58/41/44/825584144.db2.gz	WMEDQQRRGMLURC-KBMXLJTQSA-N	1	0	362.453	1.547	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@@H]1CCO[C@H](C(C)(C)C)C1)=[NH+]C1CCOCC1	ZINC000262348688	825608905	/nfs/dbraw/zinc/60/89/05/825608905.db2.gz	YLGXJINRACEMIN-CVEARBPZSA-N	1	0	368.522	1.383	20	30		FDEDRO
CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1	ZINC000330045984	825609568	/nfs/dbraw/zinc/60/95/68/825609568.db2.gz	ILFLIISTGOKDEX-LXZKKBNFSA-N	1	0	362.478	1.768	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCc3c(ncn(C)c3=O)C2)C1	ZINC000330048649	825610279	/nfs/dbraw/zinc/61/02/79/825610279.db2.gz	ISWKJNKKMKAMCO-OAHLLOKOSA-N	1	0	361.490	1.420	20	30		FDEDRO
C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)N1CCOCC1	ZINC000330075172	825622317	/nfs/dbraw/zinc/62/23/17/825622317.db2.gz	DBNBOCYTUFFBNK-INIZCTEOSA-N	1	0	361.486	1.821	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(C(=O)CNC(=O)NCc3ccc(F)cc3)CC[C@H]21	ZINC000330155880	825688221	/nfs/dbraw/zinc/68/82/21/825688221.db2.gz	OIBIFQPOQIVYLD-NVXWUHKLSA-N	1	0	362.449	1.772	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+]([C@H]4CCN(CC)C4=O)CC[C@@H]3C2)cc1	ZINC001088062050	825751784	/nfs/dbraw/zinc/75/17/84/825751784.db2.gz	LDWOXYBSBUNHJS-AABGKKOBSA-N	1	0	365.477	1.683	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+]([C@H](C)C(=O)N(C)C)CC[C@@H]3C2)cc1	ZINC001088061967	825752187	/nfs/dbraw/zinc/75/21/87/825752187.db2.gz	HKDZQSVBPVJBKU-LZQZEXGQSA-N	1	0	353.466	1.539	20	30		FDEDRO
Cn1cc(C(=O)NCC2CCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)cn1	ZINC000330256604	825769901	/nfs/dbraw/zinc/76/99/01/825769901.db2.gz	KUIULXJJSYFXDU-UHFFFAOYSA-N	1	0	373.501	1.838	20	30		FDEDRO
Cc1ccc(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(=O)n1C	ZINC000330272713	825784177	/nfs/dbraw/zinc/78/41/77/825784177.db2.gz	YAGVKCYMNBVRNP-IAGOWNOFSA-N	1	0	362.474	1.075	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCNC4=O)C[C@@H]3C2)c(F)c1	ZINC001088065541	825791338	/nfs/dbraw/zinc/79/13/38/825791338.db2.gz	YHNMDAWUHBXLMY-PVAVHDDUSA-N	1	0	370.428	1.114	20	30		FDEDRO
CNC(=O)[C@]1(C)CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1	ZINC000330283881	825794189	/nfs/dbraw/zinc/79/41/89/825794189.db2.gz	WSAKEHRMKBKDIV-JTDSTZFVSA-N	1	0	366.506	1.967	20	30		FDEDRO
Cn1c(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4C#N)CC[C@@H]3C2)c[nH]c1=O	ZINC001088065809	825797749	/nfs/dbraw/zinc/79/77/49/825797749.db2.gz	JGQHDWMTNGWLNC-SJORKVTESA-N	1	0	365.437	1.591	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](CC[C@@H]3CCS(=O)(=O)C3)CC[C@@H]2C1	ZINC001088067323	825802665	/nfs/dbraw/zinc/80/26/65/825802665.db2.gz	ZRZUWILMBMBMJZ-ZACQAIPSSA-N	1	0	368.543	1.804	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)CC[C@@H]2C1	ZINC001088067103	825802954	/nfs/dbraw/zinc/80/29/54/825802954.db2.gz	OGTLIWWFHKVERM-OAGGEKHMSA-N	1	0	354.516	1.414	20	30		FDEDRO
C[C@@H](CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)C[NH+]1CCN(C)CC1	ZINC000281046908	825855588	/nfs/dbraw/zinc/85/55/88/825855588.db2.gz	XPCFJXFAFQMQAG-LPHOPBHVSA-N	1	0	353.470	1.240	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)CN2CC[NH+](CCOC)CC2)c(OC)c1	ZINC000281102091	825886623	/nfs/dbraw/zinc/88/66/23/825886623.db2.gz	FZSRQKLRLAVACQ-GOSISDBHSA-N	1	0	364.486	1.427	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](F)c1ccccc1)C2	ZINC001112536279	825896326	/nfs/dbraw/zinc/89/63/26/825896326.db2.gz	AOVJHAOANYTOFQ-CUWPLCDZSA-N	1	0	371.456	1.665	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)CC1	ZINC000281195928	825907742	/nfs/dbraw/zinc/90/77/42/825907742.db2.gz	SNMZZFSCTCJCRE-GOSISDBHSA-N	1	0	353.466	1.843	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@H]4CC[N@@H+](C)C[C@H]43)CC2)o1	ZINC000281195962	825907841	/nfs/dbraw/zinc/90/78/41/825907841.db2.gz	MWGFIMAUSSKHGJ-RHSMWYFYSA-N	1	0	357.458	1.624	20	30		FDEDRO
CN(C(=O)[C@H]1CC[N@H+](CC(=O)N(CCC#N)CCC#N)C1)c1ccccc1	ZINC000281217624	825911073	/nfs/dbraw/zinc/91/10/73/825911073.db2.gz	SUEVOGMDASMMKP-KRWDZBQOSA-N	1	0	367.453	1.627	20	30		FDEDRO
CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)N[C@H]1CC(=O)N(C2CC2)C1	ZINC000330337915	825942495	/nfs/dbraw/zinc/94/24/95/825942495.db2.gz	UQPAENZLGSLQDK-BXWFABGCSA-N	1	0	371.485	1.684	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+](C)C[C@@H](O)COc2c(OC)cccc2OC)C1=O	ZINC000281476093	825965543	/nfs/dbraw/zinc/96/55/43/825965543.db2.gz	WGTJADFBHPEQDL-HUUCEWRRSA-N	1	0	364.442	1.162	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC000984989518	826002356	/nfs/dbraw/zinc/00/23/56/826002356.db2.gz	FHEVIRZXDQOGJX-JQHSSLGASA-N	1	0	371.485	1.870	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCCN3C3CCCC3)C[C@@H]2C1	ZINC001088079199	826130038	/nfs/dbraw/zinc/13/00/38/826130038.db2.gz	QQZFNBYENJCXKU-WSTZPKSXSA-N	1	0	359.514	1.433	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)C2CC2)C[C@H]1C(F)(F)F	ZINC001112175399	826264404	/nfs/dbraw/zinc/26/44/04/826264404.db2.gz	ZQNADQJCQNHFKU-KFWWJZLASA-N	1	0	371.403	1.390	20	30		FDEDRO
COc1cc(C[NH2+]Cc2ccc(OCC(N)=O)c(OC)c2)ccc1C#N	ZINC000281859328	826283348	/nfs/dbraw/zinc/28/33/48/826283348.db2.gz	ZVJAWPLMNGNUFZ-UHFFFAOYSA-N	1	0	355.394	1.729	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC000985086667	826314747	/nfs/dbraw/zinc/31/47/47/826314747.db2.gz	JRHZCKMQEHHISU-GVDBMIGSSA-N	1	0	357.458	1.480	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+](CC[C@H]4CCOC4)CC[C@@H]3C2)c1	ZINC001088099456	826389637	/nfs/dbraw/zinc/38/96/37/826389637.db2.gz	LZTVERGAUKBVEM-NSHGMRRFSA-N	1	0	353.466	1.883	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC001059488888	826392481	/nfs/dbraw/zinc/39/24/81/826392481.db2.gz	DVGYEZUMRPACNX-UWWQBHOKSA-N	1	0	371.485	1.585	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4[nH]c(C)nc4C)C[C@@H]3C2)C1=O	ZINC001088110962	826436933	/nfs/dbraw/zinc/43/69/33/826436933.db2.gz	BQSCXSJCISBGGN-IKGGRYGDSA-N	1	0	371.485	1.207	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3snnc3C)CC[C@@H]2C1	ZINC001088113230	826445592	/nfs/dbraw/zinc/44/55/92/826445592.db2.gz	WDQALOKXENXMJI-QXSJWSMHSA-N	1	0	362.499	1.718	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1	ZINC001088136660	826608313	/nfs/dbraw/zinc/60/83/13/826608313.db2.gz	AHYNAPYJTDOOGU-OWSLCNJRSA-N	1	0	359.474	1.040	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4nnc[nH]4)C[C@@H]3C2)cc1	ZINC001088164860	826942978	/nfs/dbraw/zinc/94/29/78/826942978.db2.gz	BBAWBQQFCBYTDH-SJORKVTESA-N	1	0	350.426	1.199	20	30		FDEDRO
CN(CCCN(C)c1ncccc1C#N)C(=O)[C@@H]1C[C@H]1c1cncn1C	ZINC001112178276	826971031	/nfs/dbraw/zinc/97/10/31/826971031.db2.gz	BNQQNSWHMFQQJC-HZPDHXFCSA-N	1	0	352.442	1.775	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CCCC(=O)Nc2ccccc2C#N)CC1	ZINC000928654993	827046102	/nfs/dbraw/zinc/04/61/02/827046102.db2.gz	PEQDUQUETPMDQC-UHFFFAOYSA-N	1	0	352.438	1.881	20	30		FDEDRO
COc1ccc(C[NH+]2CCC(CNC(=O)c3cnn(C)c3C#N)CC2)cc1	ZINC000475319351	827131179	/nfs/dbraw/zinc/13/11/79/827131179.db2.gz	LPEMMPBKBBCXNV-UHFFFAOYSA-N	1	0	367.453	1.942	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@H]3C[C@H]4C[C@H]4C3)[C@H]2CC)CC1	ZINC000985298595	827181203	/nfs/dbraw/zinc/18/12/03/827181203.db2.gz	MUTJQEQCUVPBHU-MFKWGIFDSA-N	1	0	371.525	1.873	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1	ZINC001168062132	827200090	/nfs/dbraw/zinc/20/00/90/827200090.db2.gz	PQCCHXDKLKBRGU-RRQGHBQHSA-N	1	0	361.873	1.677	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4cncn4)C[C@@H]3C2)c(F)c1	ZINC001088193139	827394543	/nfs/dbraw/zinc/39/45/43/827394543.db2.gz	LVGFGHJQJSZTDJ-WBVHZDCISA-N	1	0	368.416	1.269	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)Cc3ccco3)[C@H]2CC)CC1	ZINC000985330017	827419336	/nfs/dbraw/zinc/41/93/36/827419336.db2.gz	WZDVMGXPWCPRJD-RBUKOAKNSA-N	1	0	371.481	1.663	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c(c3)nc[nH]c4=O)C[C@@H]2C1	ZINC001088202879	827455716	/nfs/dbraw/zinc/45/57/16/827455716.db2.gz	ZNEFANYRCJDNNV-CVEARBPZSA-N	1	0	350.422	1.753	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CN(C(=O)COc3ccc(C(N)=O)cc3)C[C@@H]2C1	ZINC001088205755	827463443	/nfs/dbraw/zinc/46/34/43/827463443.db2.gz	KVIBDEBEYCYPTP-SJORKVTESA-N	1	0	357.454	1.521	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@H]1C	ZINC000987542168	833211678	/nfs/dbraw/zinc/21/16/78/833211678.db2.gz	NJINPNWTNNRAGU-PVAVHDDUSA-N	1	0	371.485	1.868	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3ncccn3n2)C[C@H]1C(F)(F)F	ZINC001112181972	827592415	/nfs/dbraw/zinc/59/24/15/827592415.db2.gz	HNQBIXSMNMHFIH-DGCLKSJQSA-N	1	0	351.332	1.345	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1	ZINC001088235485	827607133	/nfs/dbraw/zinc/60/71/33/827607133.db2.gz	SSLKAGYFMQQHSW-ZJKGHYPUSA-N	1	0	372.509	1.763	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)CC2)C1	ZINC001088238612	827651011	/nfs/dbraw/zinc/65/10/11/827651011.db2.gz	YMQHNJYLGDKOKW-IPMKNSEASA-N	1	0	370.497	1.486	20	30		FDEDRO
CCN1C[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)CC1=O	ZINC001075853533	827883878	/nfs/dbraw/zinc/88/38/78/827883878.db2.gz	KDEOSTWQSTWRJF-IPMKNSEASA-N	1	0	366.465	1.459	20	30		FDEDRO
N#CC[C@H](CC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1	ZINC000475521781	827885456	/nfs/dbraw/zinc/88/54/56/827885456.db2.gz	OGYWLTQYZCRTLY-QZTJIDSGSA-N	1	0	356.470	1.778	20	30		FDEDRO
CN1C[C@H](C(=O)N2CC[C@H]3CN(Cc4ccc(C#N)cc4F)C[C@H]32)CC1=O	ZINC001075855232	827932583	/nfs/dbraw/zinc/93/25/83/827932583.db2.gz	DQKBYRWHKPQHJJ-LZLYRXPVSA-N	1	0	370.428	1.208	20	30		FDEDRO
[NH2+]=C(NC[C@@H]1SCCc2ccccc21)N1CCN(c2ncccn2)CC1	ZINC000262532842	827992356	/nfs/dbraw/zinc/99/23/56/827992356.db2.gz	OOUPIHVOBNLERU-KRWDZBQOSA-N	1	0	368.510	1.944	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CCN1C(=O)[C@H](C)C#N	ZINC000985535502	828122405	/nfs/dbraw/zinc/12/24/05/828122405.db2.gz	LMXHSXBWRQPVDZ-FHLIZLRMSA-N	1	0	360.502	1.764	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([N@@H+](C)[C@H]2CCN(C)C2=O)CC1	ZINC000985691820	828994797	/nfs/dbraw/zinc/99/47/97/828994797.db2.gz	FMRDIWKSFJQWAS-BZSNNMDCSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([N@@H+](C)[C@@H](CC)C(N)=O)CC1	ZINC000985692047	829006040	/nfs/dbraw/zinc/00/60/40/829006040.db2.gz	IIKMZJGUNKVARE-ULQDDVLXSA-N	1	0	351.491	1.544	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([N@@H+](C)[C@@H]2CCCNC2=O)CC1	ZINC000985692295	829007363	/nfs/dbraw/zinc/00/73/63/829007363.db2.gz	KERRVFZCJWONCZ-KSZLIROESA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([N@@H+](C)Cc2cnnn2C)CC1	ZINC000985692307	829008147	/nfs/dbraw/zinc/00/81/47/829008147.db2.gz	KJMWECDXRYQMJA-ROUUACIJSA-N	1	0	361.490	1.609	20	30		FDEDRO
Cc1cccc(NC(=O)[C@H]2CCC[N@@H+]([C@H](C)C(=O)NC3(C#N)CCC3)C2)n1	ZINC000527297761	829023042	/nfs/dbraw/zinc/02/30/42/829023042.db2.gz	QJDHXJCEGKHAFI-CVEARBPZSA-N	1	0	369.469	1.992	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)NC[C@H]3CC[N@@H+]3C3CCCC3)CC2)n1	ZINC000528289564	829338780	/nfs/dbraw/zinc/33/87/80/829338780.db2.gz	SSYGDCCIURLYJW-GOSISDBHSA-N	1	0	368.485	1.802	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000528518104	829434917	/nfs/dbraw/zinc/43/49/17/829434917.db2.gz	IYMPMTZIEPOLEV-UHFFFAOYSA-N	1	0	369.465	1.111	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1	ZINC000528525748	829436626	/nfs/dbraw/zinc/43/66/26/829436626.db2.gz	NVARYPJQMFVKFL-CEXWTWQISA-N	1	0	365.433	1.499	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CC[N@@H+](C[C@H](O)COc3ccccc3C#N)C2)nc1	ZINC000528504538	829437470	/nfs/dbraw/zinc/43/74/70/829437470.db2.gz	BPTFMMDDWKWZRO-ZWKOTPCHSA-N	1	0	364.405	1.718	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]Cc1cc(=O)c(OC)co1	ZINC001168110131	829538912	/nfs/dbraw/zinc/53/89/12/829538912.db2.gz	PGJHLWCKWVVJJI-YOEHRIQHSA-N	1	0	350.415	1.226	20	30		FDEDRO
C[NH+]=C(NCCc1ccco1)N1CCN(c2nccn3cnnc23)[C@H](C)C1	ZINC000262634404	829574775	/nfs/dbraw/zinc/57/47/75/829574775.db2.gz	FXEHUSXTLCTYAW-CQSZACIVSA-N	1	0	368.445	1.046	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1ccc(NCc2cnc3c(C#N)cnn3c2)cc1	ZINC000529643070	829964621	/nfs/dbraw/zinc/96/46/21/829964621.db2.gz	IIOXTNUCFJQYEK-UHFFFAOYSA-N	1	0	363.425	1.504	20	30		FDEDRO
Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000450444160	829965840	/nfs/dbraw/zinc/96/58/40/829965840.db2.gz	BPUBJDCAFMCNIJ-LPHOPBHVSA-N	1	0	352.438	1.808	20	30		FDEDRO
CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1	ZINC000529910482	830086173	/nfs/dbraw/zinc/08/61/73/830086173.db2.gz	UEVLEHXUIIUIDI-LJQANCHMSA-N	1	0	366.465	1.954	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccc(N2CCCS2(=O)=O)cc1	ZINC000729808592	837423332	/nfs/dbraw/zinc/42/33/32/837423332.db2.gz	CUZASCHVDFMIKT-QGZVFWFLSA-N	1	0	362.451	1.481	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1	ZINC001059677823	830326651	/nfs/dbraw/zinc/32/66/51/830326651.db2.gz	IUCAFZOPRATQQV-KURKYZTESA-N	1	0	363.502	1.418	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1	ZINC000986066940	830480141	/nfs/dbraw/zinc/48/01/41/830480141.db2.gz	MTTVJKNNLZVFGD-AABGKKOBSA-N	1	0	371.525	1.827	20	30		FDEDRO
COC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000452044627	830508772	/nfs/dbraw/zinc/50/87/72/830508772.db2.gz	WMMMTRROWXTECZ-HNNXBMFYSA-N	1	0	361.446	1.004	20	30		FDEDRO
CC(=O)N(C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccc(C#N)s1)C2	ZINC001111602818	830520753	/nfs/dbraw/zinc/52/07/53/830520753.db2.gz	RJUHFECRZUMWRV-KSSFIOAISA-N	1	0	360.483	1.569	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C1	ZINC000986081208	830577387	/nfs/dbraw/zinc/57/73/87/830577387.db2.gz	BSTDLOXVHNYDGE-MOPGFXCFSA-N	1	0	357.498	1.583	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)c1	ZINC000453741692	831053513	/nfs/dbraw/zinc/05/35/13/831053513.db2.gz	FKZYOCXFRHJIEX-HNNXBMFYSA-N	1	0	358.442	1.422	20	30		FDEDRO
C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)C[C@@H](C)C1	ZINC000453762938	831075863	/nfs/dbraw/zinc/07/58/63/831075863.db2.gz	MXMBOAMOJVZTFE-HDMKZQKVSA-N	1	0	354.454	1.880	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C(F)(F)F	ZINC001112204865	831267923	/nfs/dbraw/zinc/26/79/23/831267923.db2.gz	PNHIUNHHCNDTTP-IJLUTSLNSA-N	1	0	350.385	1.378	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)[C@@H](C)C4CC4)C[C@H]3C2)CC1	ZINC000986245290	831355162	/nfs/dbraw/zinc/35/51/62/831355162.db2.gz	IJOXYGXHTMFVTD-DBVUQKKJSA-N	1	0	371.525	1.685	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)[C@H](C)C4CC4)C[C@H]3C2)CC1	ZINC000986245287	831355569	/nfs/dbraw/zinc/35/55/69/831355569.db2.gz	IJOXYGXHTMFVTD-AHRSYUTCSA-N	1	0	371.525	1.685	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)c4ccco4)CC[C@@H]3C2)CC1	ZINC000986246583	831358476	/nfs/dbraw/zinc/35/84/76/831358476.db2.gz	RJQRPHDIRNOSCA-MSOLQXFVSA-N	1	0	369.465	1.545	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3CN(C(=O)C#CC4CC4)CC[C@@H]3C2)C1	ZINC000986256733	831383707	/nfs/dbraw/zinc/38/37/07/831383707.db2.gz	MISWSLKCBHDHMY-AQNXPRMDSA-N	1	0	371.525	1.685	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CC[C@@H]2C1)[NH+](C)C	ZINC000986262973	831401725	/nfs/dbraw/zinc/40/17/25/831401725.db2.gz	SIQVXZPJPZJRMV-RYRKJORJSA-N	1	0	371.485	1.393	20	30		FDEDRO
C[NH+]=C(NCCNC(=O)c1ccc(O)cc1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C	ZINC000262824373	831551102	/nfs/dbraw/zinc/55/11/02/831551102.db2.gz	ZFIJFDXIZWSVCM-BBWFWOEESA-N	1	0	374.485	1.491	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)CC[NH+]2CCCCC2)cc1	ZINC000652987065	831928480	/nfs/dbraw/zinc/92/84/80/831928480.db2.gz	TTZFPZXGPMHXSK-UHFFFAOYSA-N	1	0	365.499	1.709	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)C[NH+]2CCCC2)C1	ZINC001059729666	831961059	/nfs/dbraw/zinc/96/10/59/831961059.db2.gz	ZCHSBAMOUDXXTP-KURKYZTESA-N	1	0	363.502	1.418	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@H](CCNC(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC001059730990	831999096	/nfs/dbraw/zinc/99/90/96/831999096.db2.gz	VSSLHSNPENBZBF-IJEWVQPXSA-N	1	0	357.458	1.195	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCCOCC)C[C@H]1C(F)(F)F	ZINC001112209807	832002291	/nfs/dbraw/zinc/00/22/91/832002291.db2.gz	JERBCGDIYWNENK-MGPQQGTHSA-N	1	0	352.397	1.983	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]2C1	ZINC000986593154	832003992	/nfs/dbraw/zinc/00/39/92/832003992.db2.gz	BRJNUVFMSPLZML-ZACQAIPSSA-N	1	0	360.502	1.717	20	30		FDEDRO
C=CCCOCC(=O)NCC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001059734108	832110968	/nfs/dbraw/zinc/11/09/68/832110968.db2.gz	QXOJWSDUWNRPSM-OKZBNKHCSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H]3CN(C(=O)C[N@H+]4CC[C@@H](C)C4)CC[C@@H]3C2)C1	ZINC000986633357	832122303	/nfs/dbraw/zinc/12/23/03/832122303.db2.gz	KRSUBBJPKPUJIP-NXHRZFHOSA-N	1	0	359.514	1.991	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3CCN(C(=O)C[C@H]4CC[N@@H+](C)C4)C[C@H]3C2)C1	ZINC000986638229	832130604	/nfs/dbraw/zinc/13/06/04/832130604.db2.gz	WNENVKURWZBJHT-KURKYZTESA-N	1	0	359.514	1.991	20	30		FDEDRO
C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC000986889789	832290433	/nfs/dbraw/zinc/29/04/33/832290433.db2.gz	NJJWYEZBXDVGMT-CKEIUWERSA-N	1	0	371.485	1.583	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000986883007	832298424	/nfs/dbraw/zinc/29/84/24/832298424.db2.gz	IRZAUGCBCXJCRH-JQHSSLGASA-N	1	0	363.502	1.417	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C[C@H]1COc2ccccc2O1	ZINC001088511254	832325867	/nfs/dbraw/zinc/32/58/67/832325867.db2.gz	GODWGRXDEAEFBF-KBMXLJTQSA-N	1	0	366.421	1.919	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)[C@@H]2CCN(C)C2=O)CC1	ZINC001030002737	832366058	/nfs/dbraw/zinc/36/60/58/832366058.db2.gz	NYHVURNHTHSPFK-KSZLIROESA-N	1	0	363.502	1.369	20	30		FDEDRO
Cc1nnc(CC(=O)N[C@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)[C@@H]2C)o1	ZINC001088553344	833498840	/nfs/dbraw/zinc/49/88/40/833498840.db2.gz	BMHAXMDGUXDVKY-DYVFJYSZSA-N	1	0	369.425	1.602	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@@H]1C	ZINC000987962808	833872316	/nfs/dbraw/zinc/87/23/16/833872316.db2.gz	MWTQUDGUWCLOAN-UWWQBHOKSA-N	1	0	371.485	1.868	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3c[nH]cc3C)[C@H]2C)CC1	ZINC000988086083	834011443	/nfs/dbraw/zinc/01/14/43/834011443.db2.gz	NYHSGNJYDXEMFG-QAPCUYQASA-N	1	0	356.470	1.388	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C)cc1	ZINC000988190934	834193359	/nfs/dbraw/zinc/19/33/59/834193359.db2.gz	REYULENPEPNYLZ-YSGRDPCXSA-N	1	0	365.477	1.729	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](CN(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC000988325215	834371145	/nfs/dbraw/zinc/37/11/45/834371145.db2.gz	NLQWWKADYZRPLS-SZVBFZGTSA-N	1	0	368.481	1.324	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@](O)(C3(C(=O)OC)CCC3)C2)CC1	ZINC000888201547	834430907	/nfs/dbraw/zinc/43/09/07/834430907.db2.gz	RUWIDXSKYXSSSZ-HXUWFJFHSA-N	1	0	362.470	1.028	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001075902645	834992054	/nfs/dbraw/zinc/99/20/54/834992054.db2.gz	DQQPDYNSWWKUKX-FZDIXFNVSA-N	1	0	355.438	1.395	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1	ZINC000897481894	835151308	/nfs/dbraw/zinc/15/13/08/835151308.db2.gz	JRMVVYIOTZTSLX-HKUYNNGSSA-N	1	0	355.486	1.890	20	30		FDEDRO
CC(C)[NH+]1CCN([C@H]2CCN([C@H](C(N)=O)c3ccc(C#N)cc3)C2)CC1	ZINC000532986681	835605790	/nfs/dbraw/zinc/60/57/90/835605790.db2.gz	UDYQOAYIBAENLL-OALUTQOASA-N	1	0	355.486	1.185	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)n(CCC#N)n1	ZINC000532996761	835612879	/nfs/dbraw/zinc/61/28/79/835612879.db2.gz	UPHGFDJPPQSRMN-GASCZTMLSA-N	1	0	360.462	1.423	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)C3C=CC=CC=C3)[C@@H]2C)CC1	ZINC000988506003	835656829	/nfs/dbraw/zinc/65/68/29/835656829.db2.gz	HTRFSNCOUZUKPH-XLIONFOSSA-N	1	0	367.493	1.736	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3coc(C)n3)[C@@H]2C)CC1	ZINC000988506293	835658351	/nfs/dbraw/zinc/65/83/51/835658351.db2.gz	KQHHNYJAOBCPCD-CJNGLKHVSA-N	1	0	358.442	1.047	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3CC)[C@H]2C)cn1	ZINC000988515787	835722924	/nfs/dbraw/zinc/72/29/24/835722924.db2.gz	XIPAQYUCEISXCF-MNEFBYGVSA-N	1	0	368.481	1.657	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@@H]1C	ZINC000988540356	835852674	/nfs/dbraw/zinc/85/26/74/835852674.db2.gz	MPQVTQMNVBHRRJ-JLSDUUJJSA-N	1	0	371.485	1.868	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)NCCN1C[C@H]2CC[C@@H](C1)O2	ZINC000455143108	835920942	/nfs/dbraw/zinc/92/09/42/835920942.db2.gz	RBIICMWOXFUJIT-IYBDPMFKSA-N	1	0	374.441	1.568	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1OC	ZINC001211992203	835967166	/nfs/dbraw/zinc/96/71/66/835967166.db2.gz	GAQHQRDPZTUOSK-KFKAGJAMSA-N	1	0	362.470	1.476	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccnc3ccnn32)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088616979	836921614	/nfs/dbraw/zinc/92/16/14/836921614.db2.gz	TYEXMOCCEVZBMS-PBHICJAKSA-N	1	0	360.421	1.994	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncccc3OC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105669568	844259097	/nfs/dbraw/zinc/25/90/97/844259097.db2.gz	SOPRLWPITJESFD-HQEOYTPBSA-N	1	0	371.481	1.693	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCCC[NH2+]2)cc1	ZINC000666833231	837906519	/nfs/dbraw/zinc/90/65/19/837906519.db2.gz	XEZSUHAGXXUASY-OAHLLOKOSA-N	1	0	366.487	1.757	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@H]2C)cn1	ZINC000989050340	838193233	/nfs/dbraw/zinc/19/32/33/838193233.db2.gz	WBYNOCGCBMLSJO-VKJFTORMSA-N	1	0	354.454	1.124	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)NC2(c3cccc(C#N)c3)CC2)CC1(C)C	ZINC000282067937	838332840	/nfs/dbraw/zinc/33/28/40/838332840.db2.gz	WMUJHOVWQOYXPX-UHFFFAOYSA-N	1	0	355.486	1.873	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CCCO)C3)[C@H]2C(C)C)cn1	ZINC001105669907	844324947	/nfs/dbraw/zinc/32/49/47/844324947.db2.gz	WLILHINCZCBATR-XCJLJZCSSA-N	1	0	371.481	1.025	20	30		FDEDRO
C#CCCN1CCN([C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000272050314	838427311	/nfs/dbraw/zinc/42/73/11/838427311.db2.gz	UGAJXZOAUUNQEV-CTNGQTDRSA-N	1	0	368.525	1.407	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)ccc2C(=O)OC)CC1	ZINC000272785125	838449709	/nfs/dbraw/zinc/44/97/09/838449709.db2.gz	BRMUXGAMPMWJRQ-UHFFFAOYSA-N	1	0	363.389	1.317	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)[C@@H]1C	ZINC001088622580	838463825	/nfs/dbraw/zinc/46/38/25/838463825.db2.gz	DQQWCTPGTQXVJE-ZACQAIPSSA-N	1	0	357.458	1.124	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cnc[nH]c2=O)CCN1Cc1cc(C#N)ccc1F	ZINC001088649745	839015670	/nfs/dbraw/zinc/01/56/70/839015670.db2.gz	STDWRCQTPGFFBX-BZNIZROVSA-N	1	0	355.373	1.586	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C[C@H]1C	ZINC000459925165	839090502	/nfs/dbraw/zinc/09/05/02/839090502.db2.gz	HNSOFUAWEKVONE-IAGOWNOFSA-N	1	0	370.497	1.953	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@H](C2CC2)C1	ZINC000459925582	839093041	/nfs/dbraw/zinc/09/30/41/839093041.db2.gz	HWWPUPLHKIMHAF-LJQANCHMSA-N	1	0	368.481	1.707	20	30		FDEDRO
CC#CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1ccnn1C)CCO2	ZINC001105475570	839410497	/nfs/dbraw/zinc/41/04/97/839410497.db2.gz	BWQTVBLWZLBXPO-BKVYSMKUSA-N	1	0	370.497	1.677	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3cc(C)co3)[C@H]2C)CC1	ZINC000989354331	839619639	/nfs/dbraw/zinc/61/96/39/839619639.db2.gz	HOQZPJNGIHXCSF-WBVHZDCISA-N	1	0	357.454	1.652	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCN(C)c3ccccc32)c1C#N	ZINC000760304394	839759864	/nfs/dbraw/zinc/75/98/64/839759864.db2.gz	LJLUPSKAMGEEJX-AWEZNQCLSA-N	1	0	352.442	1.996	20	30		FDEDRO
CCOC(=O)N1CCC[C@@H](C(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)C1	ZINC000760305798	839770878	/nfs/dbraw/zinc/77/08/78/839770878.db2.gz	DUBQDUPDMURVDM-GFCCVEGCSA-N	1	0	362.434	1.240	20	30		FDEDRO
C[C@@H](CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C)NC(N)=O	ZINC001101968413	839950312	/nfs/dbraw/zinc/95/03/12/839950312.db2.gz	VRHPEELSHBGLDB-JKIFEVAISA-N	1	0	357.458	1.189	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)F)[C@@H]2C(C)C)C[C@H]1O	ZINC001105585705	840007945	/nfs/dbraw/zinc/00/79/45/840007945.db2.gz	VNCSCMBBLMMSFW-NNFUDEMPSA-N	1	0	354.466	1.350	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CNC(C)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105589677	840112755	/nfs/dbraw/zinc/11/27/55/840112755.db2.gz	CAFGGQGAYYSDLI-FPAYPSAMSA-N	1	0	351.491	1.055	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105593508	840260811	/nfs/dbraw/zinc/26/08/11/840260811.db2.gz	AQLPOCXIOKDEPU-FTEYMNFISA-N	1	0	360.502	1.966	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105593509	840261041	/nfs/dbraw/zinc/26/10/41/840261041.db2.gz	AQLPOCXIOKDEPU-MLYOOKFZSA-N	1	0	360.502	1.966	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105593818	840308821	/nfs/dbraw/zinc/30/88/21/840308821.db2.gz	GSEOGAQNQXVIGI-RWQQGDIJSA-N	1	0	354.491	1.192	20	30		FDEDRO
C#C[C@H](NC(=O)C1C[NH+]([C@@H]2CCOC2)C1)c1ccc(Br)cc1	ZINC000897873662	840526637	/nfs/dbraw/zinc/52/66/37/840526637.db2.gz	UECSAXKAEMWQML-CVEARBPZSA-N	1	0	363.255	1.960	20	30		FDEDRO
N#Cc1c2ccccc2[nH]c1C(=O)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1	ZINC000897927163	840593677	/nfs/dbraw/zinc/59/36/77/840593677.db2.gz	IPFMJYIKSNULKE-CQSZACIVSA-N	1	0	365.437	1.466	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)cc1	ZINC000897935780	840605146	/nfs/dbraw/zinc/60/51/46/840605146.db2.gz	HLQXYOSWJVTKGS-RMMWZPCPSA-N	1	0	366.465	1.951	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105600091	840983405	/nfs/dbraw/zinc/98/34/05/840983405.db2.gz	ALOJBSZDRHUHPV-MLYOOKFZSA-N	1	0	356.470	1.388	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105601356	841031435	/nfs/dbraw/zinc/03/14/35/841031435.db2.gz	WVXXBCOIWZSVHW-SOAMZJECSA-N	1	0	356.470	1.388	20	30		FDEDRO
CCCOCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC#CCOC)C2)[C@@H]1C(C)C	ZINC001105603150	841163221	/nfs/dbraw/zinc/16/32/21/841163221.db2.gz	FGKGSBJICDORHR-IZBJGVDFSA-N	1	0	366.502	1.029	20	30		FDEDRO
C=CCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)N(C)CC)C2)[C@H]1C(C)C	ZINC001105604089	841181534	/nfs/dbraw/zinc/18/15/34/841181534.db2.gz	RDRMXDSCMBGLPB-SMOSDQRPSA-N	1	0	365.518	1.397	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CNC(=O)C3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105604524	841184530	/nfs/dbraw/zinc/18/45/30/841184530.db2.gz	UNERHHYSGABCMJ-ZTRFORPCSA-N	1	0	363.502	1.055	20	30		FDEDRO
C=CCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCn3cccn3)C2)[C@H]1C(C)C	ZINC001105607602	841231920	/nfs/dbraw/zinc/23/19/20/841231920.db2.gz	UKXSLNXCUPUJPX-LFGUQSLTSA-N	1	0	360.502	1.815	20	30		FDEDRO
C=CCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCOCCOC)C2)[C@@H]1C(C)C	ZINC001105607788	841235207	/nfs/dbraw/zinc/23/52/07/841235207.db2.gz	YFCGTTPEZSTLIM-IZBJGVDFSA-N	1	0	368.518	1.582	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COC3CCCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105607891	841238111	/nfs/dbraw/zinc/23/81/11/841238111.db2.gz	ZNEOXNSOMUUHOD-QCFAMHMHSA-N	1	0	362.514	1.935	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3CCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105610816	841728415	/nfs/dbraw/zinc/72/84/15/841728415.db2.gz	NVLZJBHAFMFXCT-VURPSTOHSA-N	1	0	362.514	1.793	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCF)C2)[C@@H]1C(C)C	ZINC001105615349	842230454	/nfs/dbraw/zinc/23/04/54/842230454.db2.gz	SWDDMJURVUZFDS-FPAYPSAMSA-N	1	0	356.482	1.905	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(=O)NCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619102	842235746	/nfs/dbraw/zinc/23/57/46/842235746.db2.gz	FTAWAOJBBXSQIZ-XNFNUYLZSA-N	1	0	365.518	1.445	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nccc(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105622846	842248975	/nfs/dbraw/zinc/24/89/75/842248975.db2.gz	JFDGFPVEQZPIPH-PDOICOKGSA-N	1	0	356.470	1.388	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(=O)NC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105622836	842249011	/nfs/dbraw/zinc/24/90/11/842249011.db2.gz	JATFXGIZLRBZNN-RGCFKVTRSA-N	1	0	351.491	1.055	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nccc(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105622847	842249257	/nfs/dbraw/zinc/24/92/57/842249257.db2.gz	JFDGFPVEQZPIPH-VIPLHTEESA-N	1	0	356.470	1.388	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCOC)C2)[C@@H]1C(C)C	ZINC001105623283	842251362	/nfs/dbraw/zinc/25/13/62/842251362.db2.gz	OYEMTTCKLRETEZ-IZBJGVDFSA-N	1	0	350.503	1.793	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)C(N)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105636942	842269584	/nfs/dbraw/zinc/26/95/84/842269584.db2.gz	HBOCJZAYBZWDAT-AXHMDWHKSA-N	1	0	365.518	1.430	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)C(N)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637177	842270496	/nfs/dbraw/zinc/27/04/96/842270496.db2.gz	KVRBMEVVWMJCIR-NLDJYOPPSA-N	1	0	365.518	1.430	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(CCOC)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637916	842274572	/nfs/dbraw/zinc/27/45/72/842274572.db2.gz	XKEMEQALMBRDGM-NEYJZJCJSA-N	1	0	362.514	1.793	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3nccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105632067	842278909	/nfs/dbraw/zinc/27/89/09/842278909.db2.gz	HZPRTYFSNUIRTC-ZAWLATJESA-N	1	0	361.490	1.210	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCOCC(F)F)[C@@H]2C(C)C)C[C@H]1O	ZINC001105632357	842280181	/nfs/dbraw/zinc/28/01/81/842280181.db2.gz	KQNRYZULTMREBT-DTTOXWODSA-N	1	0	360.445	1.810	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3(COC)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105633350	842282511	/nfs/dbraw/zinc/28/25/11/842282511.db2.gz	SINBJDQPTJHWRY-REHHDOPLSA-N	1	0	362.514	1.793	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCC3CC3)C2)[C@@H]1C(C)C	ZINC001105633590	842282663	/nfs/dbraw/zinc/28/26/63/842282663.db2.gz	VQTHVMYORMNFNB-RMVXJAJNSA-N	1	0	362.514	1.793	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc[nH]c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105634057	842283177	/nfs/dbraw/zinc/28/31/77/842283177.db2.gz	ZCPYVJTYVXDLLQ-SOAMZJECSA-N	1	0	359.470	1.244	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc[nH]c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105634055	842283303	/nfs/dbraw/zinc/28/33/03/842283303.db2.gz	ZCPYVJTYVXDLLQ-MLYOOKFZSA-N	1	0	359.470	1.244	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(OC)nc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105642584	842316795	/nfs/dbraw/zinc/31/67/95/842316795.db2.gz	KNKHAMRJPCYGEW-REHHDOPLSA-N	1	0	371.481	1.693	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cncc(C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105643424	842335938	/nfs/dbraw/zinc/33/59/38/842335938.db2.gz	YFORQWLRTWCOQD-KRXUUXHPSA-N	1	0	369.509	1.922	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(N)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105651430	842446497	/nfs/dbraw/zinc/44/64/97/842446497.db2.gz	HFSSAOKENLXTHB-JEWRLFTDSA-N	1	0	353.507	1.408	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C3)[C@@H]2C(C)C)CCC1	ZINC001105656645	842487648	/nfs/dbraw/zinc/48/76/48/842487648.db2.gz	SFIFHNFGUAGZCT-RNKNFESXSA-N	1	0	363.502	1.184	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3ccc(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105657336	842494327	/nfs/dbraw/zinc/49/43/27/842494327.db2.gz	YGIGJICEJLYIBV-LFGUQSLTSA-N	1	0	360.502	1.734	20	30		FDEDRO
CC(=O)N1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)C1	ZINC001088720914	842508826	/nfs/dbraw/zinc/50/88/26/842508826.db2.gz	ZPQJJQDQEHOVGA-YSGRDPCXSA-N	1	0	368.481	1.896	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccc(Br)cn2)CC1	ZINC000923919019	842612846	/nfs/dbraw/zinc/61/28/46/842612846.db2.gz	CGRFTNLWHYIPCC-UHFFFAOYSA-N	1	0	351.248	1.741	20	30		FDEDRO
N#CCc1cccc(NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)c1	ZINC000455907800	842781827	/nfs/dbraw/zinc/78/18/27/842781827.db2.gz	PUBKYPUACOAVRU-UHFFFAOYSA-N	1	0	357.458	1.866	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(CC)nn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105665985	843052470	/nfs/dbraw/zinc/05/24/70/843052470.db2.gz	BXIUHKWFDMGBBB-KLICCBINSA-N	1	0	361.490	1.454	20	30		FDEDRO
CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1	ZINC000462091977	843315849	/nfs/dbraw/zinc/31/58/49/843315849.db2.gz	OBKNTBHPWSDJRH-MRXNPFEDSA-N	1	0	367.457	2.395	20	30		FDEDRO
O=C(NC[C@H]1CCCC[NH2+]1)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000667264307	843470335	/nfs/dbraw/zinc/47/03/35/843470335.db2.gz	JBHYUSCMGDFMNG-LJQANCHMSA-N	1	0	362.433	1.678	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)CCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667098	843491734	/nfs/dbraw/zinc/49/17/34/843491734.db2.gz	OAKKNXAJCIHCTO-WOCWXWTJSA-N	1	0	350.503	1.648	20	30		FDEDRO
CCn1cc(CC(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)nn1	ZINC001088764856	843497614	/nfs/dbraw/zinc/49/76/14/843497614.db2.gz	YSZBHSMUWALAFS-KDOFPFPSSA-N	1	0	352.442	1.491	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(=O)[nH]c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105667531	843637841	/nfs/dbraw/zinc/63/78/41/843637841.db2.gz	CBIHOBQRWNTOGD-HBXLWWENSA-N	1	0	357.454	1.390	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#Cc3cccs3)c2)CC[NH2+]1	ZINC000667330245	843742900	/nfs/dbraw/zinc/74/29/00/843742900.db2.gz	GANUYLZWLDWKMO-CQSZACIVSA-N	1	0	353.447	1.907	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccn(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105668083	843753425	/nfs/dbraw/zinc/75/34/25/843753425.db2.gz	HJEAQIVWMVQCJB-MLYOOKFZSA-N	1	0	360.502	1.966	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CCOC)C3)[C@@H]2C(C)C)cn1	ZINC001105668854	843838332	/nfs/dbraw/zinc/83/83/32/843838332.db2.gz	NHGPHEFRCSVPKT-WERVVEIQSA-N	1	0	371.481	1.289	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1C#N	ZINC000842180342	845368983	/nfs/dbraw/zinc/36/89/83/845368983.db2.gz	LKCQBBYUDNZYCF-KRWDZBQOSA-N	1	0	370.453	1.174	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCC(N)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105674569	845501760	/nfs/dbraw/zinc/50/17/60/845501760.db2.gz	ZMCSVITWEUIDKI-KNCCTNLNSA-N	1	0	371.909	1.361	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCOC(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105674590	845506455	/nfs/dbraw/zinc/50/64/55/845506455.db2.gz	ZURHQFMRMFXHGL-JYBIWHBTSA-N	1	0	350.503	1.791	20	30		FDEDRO
N#Cc1ccc(C2(NC(=O)C3C[NH+]([C@H]4CCOC4)C3)CCOCC2)cc1	ZINC000913162263	861607332	/nfs/dbraw/zinc/60/73/32/861607332.db2.gz	HUCGJSRBGCAAHD-SFHVURJKSA-N	1	0	355.438	1.401	20	30		FDEDRO
C#CC[C@@H]1NC(=O)N(Cc2ccc(OCC[NH+](CC)CC)c(OC)c2)C1=O	ZINC000842236709	845856003	/nfs/dbraw/zinc/85/60/03/845856003.db2.gz	QYDAAYLPHRPHND-INIZCTEOSA-N	1	0	373.453	1.860	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1C(=O)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1	ZINC000899155617	845874518	/nfs/dbraw/zinc/87/45/18/845874518.db2.gz	DWPSFEFXJTUMHL-KRWDZBQOSA-N	1	0	354.454	1.602	20	30		FDEDRO
C#CC[C@H]1NC(=O)N(CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1=O	ZINC000842240450	845883789	/nfs/dbraw/zinc/88/37/89/845883789.db2.gz	RDEPOEXKEFJTGK-QGZVFWFLSA-N	1	0	374.872	1.796	20	30		FDEDRO
N#Cc1cccc([C@@H](NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)C(F)(F)F)c1	ZINC000899186917	845921906	/nfs/dbraw/zinc/92/19/06/845921906.db2.gz	NQRYOMZHYFEWND-HUUCEWRRSA-N	1	0	353.344	1.999	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1	ZINC000480927758	845948354	/nfs/dbraw/zinc/94/83/54/845948354.db2.gz	GMQLYBIXEHDWJH-AVEIZBFRSA-N	1	0	365.518	1.566	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC3CC3)C2)[C@@H]1C(C)C	ZINC001105676687	845987815	/nfs/dbraw/zinc/98/78/15/845987815.db2.gz	YHLRXMVWLCXDTD-JYBIWHBTSA-N	1	0	350.503	1.955	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)[C@@H](O)C1	ZINC001083538431	847007213	/nfs/dbraw/zinc/00/72/13/847007213.db2.gz	XZQVZHBXLIXLHZ-BDXSIMOUSA-N	1	0	363.502	1.295	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](CNc3ccncc3C#N)C2)CC[N@@H+]1C	ZINC001060099165	847279779	/nfs/dbraw/zinc/27/97/79/847279779.db2.gz	UJPWBDNGPMYSKA-HHXXYDBFSA-N	1	0	355.486	1.756	20	30		FDEDRO
Cc1nc[nH]c(=O)c1C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001076157625	847416366	/nfs/dbraw/zinc/41/63/66/847416366.db2.gz	ARKPVSXJXPHJRR-DLBZAZTESA-N	1	0	363.421	1.709	20	30		FDEDRO
Cc1nc[nH]c(=O)c1C(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21	ZINC001076157985	847418515	/nfs/dbraw/zinc/41/85/15/847418515.db2.gz	RUXBEKCFMDEAJM-ZWKOTPCHSA-N	1	0	362.433	1.689	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4occc4C)[C@@H]3C2)C1=O	ZINC001076222016	847588490	/nfs/dbraw/zinc/58/84/90/847588490.db2.gz	JMYNCLRFOBGZFY-YESZJQIVSA-N	1	0	357.454	1.450	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)c3c4n(c(=O)n3C)CCCC4)[C@@H]2C1	ZINC001076244273	847672740	/nfs/dbraw/zinc/67/27/40/847672740.db2.gz	NHMFOSJTPNOCAF-DOTOQJQBSA-N	1	0	358.486	1.636	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CC[C@H]3C[N@H+](C[C@H]4CCOC4)C[C@H]32)cc1	ZINC001076336241	847882794	/nfs/dbraw/zinc/88/27/94/847882794.db2.gz	PLRGRAKVEKFFJV-IMFGXOCKSA-N	1	0	354.450	1.881	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3C[N@H+](CCC4CCOCC4)C[C@H]32)nn1	ZINC001076336383	847882897	/nfs/dbraw/zinc/88/28/97/847882897.db2.gz	VEXLPTNIIGJCLX-FUHWJXTLSA-N	1	0	359.474	1.427	20	30		FDEDRO
COc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)nn1	ZINC001076428083	848112900	/nfs/dbraw/zinc/11/29/00/848112900.db2.gz	CHSZKADISFJKIP-FUHWJXTLSA-N	1	0	363.421	1.703	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCCS(=O)(=O)C3)[C@@H]2C1	ZINC001076438465	848139135	/nfs/dbraw/zinc/13/91/35/848139135.db2.gz	BPALYRVGKWXJTJ-YESZJQIVSA-N	1	0	354.516	1.700	20	30		FDEDRO
CN1C(=O)CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001076515176	848307190	/nfs/dbraw/zinc/30/71/90/848307190.db2.gz	WGRCXOJZDAEIIQ-IPMKNSEASA-N	1	0	366.465	1.602	20	30		FDEDRO
CN1C(=O)CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001076514913	848307873	/nfs/dbraw/zinc/30/78/73/848307873.db2.gz	PBVRWDVRXJGBEK-IPMKNSEASA-N	1	0	366.465	1.602	20	30		FDEDRO
N#Cc1ccc(F)cc1CN1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1	ZINC001076572930	848445516	/nfs/dbraw/zinc/44/55/16/848445516.db2.gz	INYBVZAGFMHQHD-QFBILLFUSA-N	1	0	356.445	1.826	20	30		FDEDRO
CCN1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1	ZINC001076594809	848520573	/nfs/dbraw/zinc/52/05/73/848520573.db2.gz	SPSVUMDJBVIEAP-ZCNNSNEGSA-N	1	0	368.481	1.312	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(Cc4cnc(C)o4)C[C@H]32)CC1	ZINC001076605655	848555729	/nfs/dbraw/zinc/55/57/29/848555729.db2.gz	LWBFFTPXVVPARK-PKOBYXMFSA-N	1	0	356.470	1.361	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)CCC[NH+](C)C	ZINC001076705822	848810103	/nfs/dbraw/zinc/81/01/03/848810103.db2.gz	CGGJIEIRLCYEEO-BQFCYCMXSA-N	1	0	353.507	1.711	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[N@H+](C)C1CCC1	ZINC001076737948	848906949	/nfs/dbraw/zinc/90/69/49/848906949.db2.gz	GYWKBSILJCJINR-UAGQMJEPSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CC1CC[NH+](C)CC1	ZINC001076739233	848909560	/nfs/dbraw/zinc/90/95/60/848909560.db2.gz	NUVFEGULASQRTP-JQHSSLGASA-N	1	0	365.518	1.711	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCc4ccccc4C3)C[C@H]2O)[nH]1	ZINC001076898384	849282083	/nfs/dbraw/zinc/28/20/83/849282083.db2.gz	GGOLKHBRMRYMHU-VHKYSDTDSA-N	1	0	364.449	1.466	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CC[NH+]1CCCCC1	ZINC001076918543	849317536	/nfs/dbraw/zinc/31/75/36/849317536.db2.gz	CLZMCIFVAIKNRQ-KSZLIROESA-N	1	0	365.518	1.855	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(Cc3cccc(C#N)c3)C[C@H]2O)C1	ZINC001077128710	849841984	/nfs/dbraw/zinc/84/19/84/849841984.db2.gz	BIAOSHGDEZLFQX-VAMGGRTRSA-N	1	0	370.497	1.197	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2c(C)cc(C)cc2C)C[C@H]1O	ZINC001077158558	849951901	/nfs/dbraw/zinc/95/19/01/849951901.db2.gz	LKMSPLAWDWOYFG-QHAWAJNXSA-N	1	0	369.509	1.371	20	30		FDEDRO
COCC[C@H]1C[NH2+]CCN1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000904412450	851204214	/nfs/dbraw/zinc/20/42/14/851204214.db2.gz	SROBUBJDUOIVAE-ZDUSSCGKSA-N	1	0	372.404	1.725	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1	ZINC000668419740	851352051	/nfs/dbraw/zinc/35/20/51/851352051.db2.gz	KXBJKRMLHAOPNQ-MSOLQXFVSA-N	1	0	350.507	1.086	20	30		FDEDRO
C[C@]1(C#N)CCN(C(=O)C(=O)N2CCC(C[NH3+])(c3ccccc3)CC2)C1	ZINC000904968199	851527565	/nfs/dbraw/zinc/52/75/65/851527565.db2.gz	JSFBGQIYYOMXHH-LJQANCHMSA-N	1	0	354.454	1.268	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2	ZINC000904959947	851554953	/nfs/dbraw/zinc/55/49/53/851554953.db2.gz	VTJPLFZLCLGBSS-UHFFFAOYSA-N	1	0	370.434	1.699	20	30		FDEDRO
C#Cc1ccc(C[NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)cc1	ZINC000905273346	851806635	/nfs/dbraw/zinc/80/66/35/851806635.db2.gz	MANKCLVVYJJQNR-KRWDZBQOSA-N	1	0	364.511	1.759	20	30		FDEDRO
CO[C@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)NCC#CC[NH+](C)C)C1	ZINC000913524204	862289873	/nfs/dbraw/zinc/28/98/73/862289873.db2.gz	CZYCVLOPLUZXJN-RDTXWAMCSA-N	1	0	353.463	1.082	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@@H]1Cc2ccc(O)cc2N1C(=O)OC(C)(C)C	ZINC000913524903	862289925	/nfs/dbraw/zinc/28/99/25/862289925.db2.gz	BIWPYCFVTYGPKJ-KRWDZBQOSA-N	1	0	373.453	1.740	20	30		FDEDRO
CC1(C)[NH2+]CC[C@@H]1NS(=O)(=O)c1cccc(Br)c1C#N	ZINC000905360024	851859509	/nfs/dbraw/zinc/85/95/09/851859509.db2.gz	VIZJQDMTEZNNLT-LBPRGKRZSA-N	1	0	358.261	1.740	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)/C=C/c1ccc(I)o1	ZINC000913514493	862292849	/nfs/dbraw/zinc/29/28/49/862292849.db2.gz	RNQBZBZSXVHDEU-SOFGYWHQSA-N	1	0	358.179	1.579	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1	ZINC000913515410	862295404	/nfs/dbraw/zinc/29/54/04/862295404.db2.gz	WMRRVKVRCZEJRZ-UHFFFAOYSA-N	1	0	360.435	1.548	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H](O)Cc2ccccc2F)c1	ZINC000905470978	851969365	/nfs/dbraw/zinc/96/93/65/851969365.db2.gz	FLTBVBDIQQXWBQ-INIZCTEOSA-N	1	0	362.426	1.664	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)C1(NC(=O)OC(C)(C)C)Cc2ccccc2C1	ZINC000913519223	862304691	/nfs/dbraw/zinc/30/46/91/862304691.db2.gz	SIYGIXWMKGSUDX-UHFFFAOYSA-N	1	0	371.481	1.730	20	30		FDEDRO
C[C@@H]1C[C@@]2(CC[C@H](C[NH2+]CCS(=O)(=O)c3ccc(C#N)cc3)O2)CO1	ZINC000905488376	851990281	/nfs/dbraw/zinc/99/02/81/851990281.db2.gz	WSSAREZREYXVDZ-KYJSFNMBSA-N	1	0	364.467	1.648	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[NH2+]CCN2Cc3ccccc3OCC2=O)cc1	ZINC000905518087	852010922	/nfs/dbraw/zinc/01/09/22/852010922.db2.gz	VZFSNVCPIWDFRN-SFHVURJKSA-N	1	0	351.406	1.602	20	30		FDEDRO
C#Cc1cccc(NC(=S)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)c1	ZINC000905554107	852026676	/nfs/dbraw/zinc/02/66/76/852026676.db2.gz	BQEXONLKNZAEGD-IBGZPJMESA-N	1	0	372.538	1.751	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1	ZINC000668465613	852045305	/nfs/dbraw/zinc/04/53/05/852045305.db2.gz	IGPUQWZWIFEPIF-QGZVFWFLSA-N	1	0	370.497	1.977	20	30		FDEDRO
CC(C)(C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1)CS(C)(=O)=O	ZINC000905575868	852049100	/nfs/dbraw/zinc/04/91/00/852049100.db2.gz	DOAHSWBRMRPYTA-HNNXBMFYSA-N	1	0	354.472	1.153	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCO[C@](C)(C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1	ZINC000905586590	852075470	/nfs/dbraw/zinc/07/54/70/852075470.db2.gz	NKJHBBUFNCDKLE-WMLDXEAASA-N	1	0	353.463	1.657	20	30		FDEDRO
CC[C@@H](C)OCC(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1OC	ZINC001212131095	852663911	/nfs/dbraw/zinc/66/39/11/852663911.db2.gz	HOVOQXMDVOZSJB-DAXOMENPSA-N	1	0	351.472	1.750	20	30		FDEDRO
C#CCN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2)C1CC[NH+](C)CC1	ZINC000906451243	852900323	/nfs/dbraw/zinc/90/03/23/852900323.db2.gz	BZYNJUCARDHEBQ-UHFFFAOYSA-N	1	0	373.409	1.926	20	30		FDEDRO
Cc1cc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc(C)c1C#N	ZINC000906561306	852982309	/nfs/dbraw/zinc/98/23/09/852982309.db2.gz	YEFBGZWPEJIQIP-UHFFFAOYSA-N	1	0	354.454	1.555	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](CCO)CC2CCCCC2)CC1	ZINC000485853350	852988426	/nfs/dbraw/zinc/98/84/26/852988426.db2.gz	KDHQFNMEHVKHER-LJQANCHMSA-N	1	0	364.534	1.553	20	30		FDEDRO
C=CCC1(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CN(C(=O)OC(C)(C)C)C1	ZINC000906650536	853101167	/nfs/dbraw/zinc/10/11/67/853101167.db2.gz	NBQDMJYHFQLIJL-HNNXBMFYSA-N	1	0	366.506	1.162	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1C(F)(F)F	ZINC000906716575	853208534	/nfs/dbraw/zinc/20/85/34/853208534.db2.gz	GEWWMLNMBFOWIA-CYZMBNFOSA-N	1	0	352.316	1.525	20	30		FDEDRO
C[C@H]1[C@H](NS(=O)(=O)c2ccc(C#N)cn2)CCN1Cc1ccccc1	ZINC000907194758	853937706	/nfs/dbraw/zinc/93/77/06/853937706.db2.gz	RFYDSPQFDDOQOG-WMLDXEAASA-N	1	0	356.451	1.895	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCC2CC[NH+](C3CCOCC3)CC2)nc1	ZINC000907275884	853978127	/nfs/dbraw/zinc/97/81/27/853978127.db2.gz	LCZUOENHUDJJIT-UHFFFAOYSA-N	1	0	364.471	1.123	20	30		FDEDRO
Cc1ccc(C[N@H+]2CC[C@@H](CN(C)S(=O)(=O)N(C)CCC#N)C2)s1	ZINC000907347865	854056747	/nfs/dbraw/zinc/05/67/47/854056747.db2.gz	VEGUSADXGHJNOW-HNNXBMFYSA-N	1	0	370.544	1.901	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1	ZINC000907366608	854109882	/nfs/dbraw/zinc/10/98/82/854109882.db2.gz	MSUUGERFAXHDLL-ZJIFWQFVSA-N	1	0	362.474	1.879	20	30		FDEDRO
C#Cc1ccc(S(=O)(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1	ZINC000907394754	854141962	/nfs/dbraw/zinc/14/19/62/854141962.db2.gz	OFOQVXWODQRYMY-UHFFFAOYSA-N	1	0	369.490	1.898	20	30		FDEDRO
N#Cc1ccc(F)c(CS(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c1	ZINC000908005447	854891726	/nfs/dbraw/zinc/89/17/26/854891726.db2.gz	AHWBYJOYBLPXJC-DLBZAZTESA-N	1	0	367.446	1.058	20	30		FDEDRO
C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000908161169	855098667	/nfs/dbraw/zinc/09/86/67/855098667.db2.gz	DGRZLBJATJJALH-LIRRHRJNSA-N	1	0	361.417	1.522	20	30		FDEDRO
C#CCC1(NC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCCCC1	ZINC000916073957	881344846	/nfs/dbraw/zinc/34/48/46/881344846.db2.gz	YSUGBRMAPLUKLQ-QGZVFWFLSA-N	1	0	362.518	1.955	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1	ZINC000669253110	862684920	/nfs/dbraw/zinc/68/49/20/862684920.db2.gz	VMCVRBNIZDPIHY-GOSISDBHSA-N	1	0	364.534	1.524	20	30		FDEDRO
Cn1c(-c2ncon2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000908526020	855522727	/nfs/dbraw/zinc/52/27/27/855522727.db2.gz	VRSZFKXNYXIZEH-UHFFFAOYSA-N	1	0	364.413	1.449	20	30		FDEDRO
C#CCCCc1nnc(N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)n1CC=C	ZINC000908727129	855755557	/nfs/dbraw/zinc/75/55/57/855755557.db2.gz	MJZYOLBAYUGXQO-KRWDZBQOSA-N	1	0	370.501	1.211	20	30		FDEDRO
C#CCCCc1nnc(N2CCN(C(=O)C[NH+](CC)CC)CC2)n1CC	ZINC000908865086	855899774	/nfs/dbraw/zinc/89/97/74/855899774.db2.gz	MCADILTZEWEPAT-UHFFFAOYSA-N	1	0	360.506	1.244	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1	ZINC000669273682	862776100	/nfs/dbraw/zinc/77/61/00/862776100.db2.gz	FLLOFIQJGJZXCJ-KBAYOESNSA-N	1	0	363.502	1.295	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1	ZINC000910554016	857284888	/nfs/dbraw/zinc/28/48/88/857284888.db2.gz	PFNWXKIKNKQTTM-UHFFFAOYSA-N	1	0	360.483	1.665	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2Cc2cnn(C)c2)CC1	ZINC000668835698	857451684	/nfs/dbraw/zinc/45/16/84/857451684.db2.gz	HPMGZSSVBJHQQN-SJLPKXTDSA-N	1	0	373.501	1.014	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2cnccc2C(F)(F)F)CC1	ZINC000668836481	857520173	/nfs/dbraw/zinc/52/01/73/857520173.db2.gz	ZNABLFUMCLCTPQ-UHFFFAOYSA-N	1	0	370.375	1.483	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(C[N@@H+](CCO)C(C)C)CC1	ZINC000910875840	857815374	/nfs/dbraw/zinc/81/53/74/857815374.db2.gz	PWOUBLCNOQRVJA-SFHVURJKSA-N	1	0	353.507	1.399	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CCC(c2ccco2)CC1)C1CC[NH+](C)CC1	ZINC000910882516	857831707	/nfs/dbraw/zinc/83/17/07/857831707.db2.gz	GLJXERYDDPHNII-UHFFFAOYSA-N	1	0	357.454	1.542	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCCCCC1CC[NH2+]CC1	ZINC000910951718	857923173	/nfs/dbraw/zinc/92/31/73/857923173.db2.gz	COTUDHQRUGNYGP-ZWKOTPCHSA-N	1	0	365.518	1.760	20	30		FDEDRO
CC(C)(C[NH3+])C1CCN(C(=O)C(=O)NCc2ccc(CC#N)cc2)CC1	ZINC000911313033	858481747	/nfs/dbraw/zinc/48/17/47/858481747.db2.gz	OYSDAXHKVBRHSE-UHFFFAOYSA-N	1	0	356.470	1.592	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)c1	ZINC000911402374	858588855	/nfs/dbraw/zinc/58/88/55/858588855.db2.gz	FWFVKARHFBHHFF-IBGZPJMESA-N	1	0	358.417	1.306	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1	ZINC000911403768	858592416	/nfs/dbraw/zinc/59/24/16/858592416.db2.gz	TUEYVTUUFSFFPO-DGCLKSJQSA-N	1	0	372.322	1.052	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1C#N	ZINC000911431617	858613446	/nfs/dbraw/zinc/61/34/46/858613446.db2.gz	BBIICHQTPSRZFF-SFHVURJKSA-N	1	0	368.481	1.721	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)C1	ZINC000911494149	858687088	/nfs/dbraw/zinc/68/70/88/858687088.db2.gz	PDTONQVMKQDGOI-DJPFJPOOSA-N	1	0	355.482	1.976	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1	ZINC000911562276	858769757	/nfs/dbraw/zinc/76/97/57/858769757.db2.gz	JORHFMXQKZLNBI-SFHVURJKSA-N	1	0	356.470	1.945	20	30		FDEDRO
CS(=O)(=O)c1ccnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1	ZINC000911662207	858874836	/nfs/dbraw/zinc/87/48/36/858874836.db2.gz	HCQBEMYDRMTMTF-UHFFFAOYSA-N	1	0	371.466	1.464	20	30		FDEDRO
CC[C@@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)c1ccccc1	ZINC001106866234	881401844	/nfs/dbraw/zinc/40/18/44/881401844.db2.gz	BITFOIVJTYUWAH-ZIFCJYIRSA-N	1	0	370.497	1.894	20	30		FDEDRO
CN1C(=O)C(=C(N)NOCc2ccc(CC#N)cc2)C(=[NH2+])C12CCCC2	ZINC000784046575	859278514	/nfs/dbraw/zinc/27/85/14/859278514.db2.gz	CUSRBSAUUGVUJL-UHFFFAOYSA-N	1	0	353.426	1.749	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccccc1C#N)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000489156749	859305751	/nfs/dbraw/zinc/30/57/51/859305751.db2.gz	MWCKLOIHPRUHCP-INIZCTEOSA-N	1	0	369.469	1.125	20	30		FDEDRO
C=CCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1	ZINC000912220736	859490983	/nfs/dbraw/zinc/49/09/83/859490983.db2.gz	JKFYMMYYXBLARA-HNNXBMFYSA-N	1	0	359.426	1.383	20	30		FDEDRO
CN(CC[N@H+](C)CCO)C(=O)c1occc1COc1cccc(C#N)c1	ZINC000912606186	859948576	/nfs/dbraw/zinc/94/85/76/859948576.db2.gz	BDEMLESDNXATCH-UHFFFAOYSA-N	1	0	357.410	1.726	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1C[C@H]2COC[C@@]2(C)C1	ZINC000669032867	860835094	/nfs/dbraw/zinc/83/50/94/860835094.db2.gz	XYCIZRBPICHJJO-CYJAXWMASA-N	1	0	359.474	1.473	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccoc2CCC)C[C@H]1C	ZINC001106872675	881625904	/nfs/dbraw/zinc/62/59/04/881625904.db2.gz	DIVASJOMHFIDCK-OWCLPIDISA-N	1	0	359.470	1.668	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1C	ZINC001105806922	863281042	/nfs/dbraw/zinc/28/10/42/863281042.db2.gz	FQQMIKPLOVHWCV-HZPDHXFCSA-N	1	0	361.490	1.142	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOC2CCC2)C1	ZINC001112101261	863284423	/nfs/dbraw/zinc/28/44/23/863284423.db2.gz	FJSXVZGQZUXAPH-HUUCEWRRSA-N	1	0	362.392	1.574	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2C[C@H](C[C@H]3COCC[NH2+]3)c3ccccc32)o1	ZINC000923745515	863314708	/nfs/dbraw/zinc/31/47/08/863314708.db2.gz	UXXHOFKSYXUOMT-KBPBESRZSA-N	1	0	373.434	1.822	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001105824534	863387087	/nfs/dbraw/zinc/38/70/87/863387087.db2.gz	YVFBLRMQOTWZQW-SJLPKXTDSA-N	1	0	354.429	1.758	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]Cc1cccc(C(N)=O)c1	ZINC001105846286	863476186	/nfs/dbraw/zinc/47/61/86/863476186.db2.gz	POTMTRURQURYPM-CZUORRHYSA-N	1	0	360.483	1.226	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]CC(=O)N1CCC(C)CC1	ZINC001105847969	863492806	/nfs/dbraw/zinc/49/28/06/863492806.db2.gz	MDJNTLRNRTZRDQ-HZPDHXFCSA-N	1	0	366.531	1.186	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]Cc1nnc(C(C)(C)C)o1	ZINC001105848276	863493721	/nfs/dbraw/zinc/49/37/21/863493721.db2.gz	SPNLDCFUXOCTMN-CHWSQXEVSA-N	1	0	365.503	1.808	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1C	ZINC001105867166	863553705	/nfs/dbraw/zinc/55/37/05/863553705.db2.gz	CKZHJLALZIJSMK-BFYDXBDKSA-N	1	0	361.490	1.521	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cnns2)C[C@H]1C	ZINC001105874152	863585040	/nfs/dbraw/zinc/58/50/40/863585040.db2.gz	VSKRTHGOOXOPOE-ZIAGYGMSSA-N	1	0	365.503	1.260	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C)n[nH]2)C[C@H]1C	ZINC001105876925	863601523	/nfs/dbraw/zinc/60/15/23/863601523.db2.gz	VNWTUDPXRJTCLL-GDBMZVCRSA-N	1	0	361.490	1.440	20	30		FDEDRO
CCCC(=O)NCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1	ZINC001105890491	863694701	/nfs/dbraw/zinc/69/47/01/863694701.db2.gz	IPSQFASETDGEME-CRAIPNDOSA-N	1	0	356.470	1.659	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1	ZINC001060321657	863907757	/nfs/dbraw/zinc/90/77/57/863907757.db2.gz	NPINGQJMCWNHOR-AOIWGVFYSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2CCC)[C@H](C)C1	ZINC001105909660	863915246	/nfs/dbraw/zinc/91/52/46/863915246.db2.gz	KBNSHHXNAIEKRC-OWCLPIDISA-N	1	0	364.494	1.248	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)OC)C[C@H]1C	ZINC001105915027	863972784	/nfs/dbraw/zinc/97/27/84/863972784.db2.gz	OUMJCFUGSFVWMT-ZACQAIPSSA-N	1	0	351.491	1.296	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CCCCOC)C[C@H]2C)C1=O	ZINC001105915391	863976753	/nfs/dbraw/zinc/97/67/53/863976753.db2.gz	DNRHZTFRXYUFND-BRWVUGGUSA-N	1	0	351.491	1.274	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]3CCCNC3=O)C2)CCC1	ZINC001112114582	864008961	/nfs/dbraw/zinc/00/89/61/864008961.db2.gz	XFOUALGOGJLYGC-MGPQQGTHSA-N	1	0	371.403	1.438	20	30		FDEDRO
CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1	ZINC000761087673	864059734	/nfs/dbraw/zinc/05/97/34/864059734.db2.gz	OYGKKRDJZXUIEL-UHFFFAOYSA-N	1	0	362.405	1.609	20	30		FDEDRO
C[NH+]=C(NCC1(N2CCOCC2)CCCCC1)N1CC[C@@]2(CCOC2)C1	ZINC000158119570	864068948	/nfs/dbraw/zinc/06/89/48/864068948.db2.gz	HEEFXCLAMGCUGT-LJQANCHMSA-N	1	0	364.534	1.709	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2nnc(OCC)s2)[C@H](C)C1	ZINC001105937635	864130426	/nfs/dbraw/zinc/13/04/26/864130426.db2.gz	CSUMKIVZVZAYDA-CHWSQXEVSA-N	1	0	354.476	1.324	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2nnc(-c3ccco3)o2)[C@H](C)C1	ZINC001105941731	864152195	/nfs/dbraw/zinc/15/21/95/864152195.db2.gz	JPCQNMRXBPTUSZ-ZIAGYGMSSA-N	1	0	360.414	1.716	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C2CC2)C2CCCC2)[C@H](C)C1	ZINC001105951768	864212016	/nfs/dbraw/zinc/21/20/16/864212016.db2.gz	KVHYNYAFVIWICV-ARFHVFGLSA-N	1	0	360.502	1.764	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)/C=C/C2CC2)C[C@H]1C	ZINC001105977598	864310307	/nfs/dbraw/zinc/31/03/07/864310307.db2.gz	XTPNNSKGUGKRNR-LDPPUTLGSA-N	1	0	362.474	1.037	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)CC(F)(F)F)[C@H](C)C1	ZINC001105982747	864335654	/nfs/dbraw/zinc/33/56/54/864335654.db2.gz	WJSCBOAWVMLPSF-KFWWJZLASA-N	1	0	366.424	1.967	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CCC(F)(F)F)C[C@H]2C)C1=O	ZINC001105984746	864343146	/nfs/dbraw/zinc/34/31/46/864343146.db2.gz	XJXBIPYKYBSCKU-MGPQQGTHSA-N	1	0	361.408	1.800	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]CC(=O)N1CCCCCC1	ZINC001105985803	864354629	/nfs/dbraw/zinc/35/46/29/864354629.db2.gz	UHDDJCIPSUKMLR-NVXWUHKLSA-N	1	0	371.485	1.587	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]CC(=O)NC1CCCCC1	ZINC001105985813	864354812	/nfs/dbraw/zinc/35/48/12/864354812.db2.gz	URFJJTNXHBIFTB-GDBMZVCRSA-N	1	0	371.485	1.633	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1CN([C@@H](C)C(=O)N(CC)CC(=C)C)C[C@H]1OC	ZINC001212184781	864527262	/nfs/dbraw/zinc/52/72/62/864527262.db2.gz	HHIPJOMOYWXCFD-RCCFBDPRSA-N	1	0	363.502	1.418	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](C[C@@H]3CCNC(=O)CC3)[C@@H]2C)c1	ZINC001088847107	864554421	/nfs/dbraw/zinc/55/44/21/864554421.db2.gz	XORFCPQYCRULNI-HFTRVMKXSA-N	1	0	354.454	1.172	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]C[C@@H](O)CC(F)(F)F	ZINC001106015568	864655091	/nfs/dbraw/zinc/65/50/91/864655091.db2.gz	GXSPULFLWJQWLF-WZRBSPASSA-N	1	0	358.364	1.497	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCOCC)[C@H](C)C1	ZINC001106025733	864813685	/nfs/dbraw/zinc/81/36/85/864813685.db2.gz	FOFMOOMQHSYVES-IAGOWNOFSA-N	1	0	351.491	1.017	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)[C@H](C)C1	ZINC001106025653	864814014	/nfs/dbraw/zinc/81/40/14/864814014.db2.gz	BFICNFMCTSDWBO-FGTMMUONSA-N	1	0	368.543	1.689	20	30		FDEDRO
CCn1cc(CC[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)cn1	ZINC001106025961	864814282	/nfs/dbraw/zinc/81/42/82/864814282.db2.gz	OYXPOKBVOYUANN-RHSMWYFYSA-N	1	0	354.458	1.643	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)[C@H](C)C1	ZINC001106025865	864814540	/nfs/dbraw/zinc/81/45/40/864814540.db2.gz	LCHLIDTZKFOOMJ-IXDOHACOSA-N	1	0	354.516	1.299	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(C(C)C)n2)[C@H](C)C1	ZINC001106029415	864881888	/nfs/dbraw/zinc/88/18/88/864881888.db2.gz	QHIITTGCDGYICB-IAGOWNOFSA-N	1	0	370.497	1.529	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1c(OC)ccc2ccccc21	ZINC000170911138	865015927	/nfs/dbraw/zinc/01/59/27/865015927.db2.gz	HSCQIPIIDMQTIK-UHFFFAOYSA-N	1	0	356.470	1.846	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106053421	865030994	/nfs/dbraw/zinc/03/09/94/865030994.db2.gz	XZAXXOBHOLRZPO-IEBWSBKVSA-N	1	0	351.454	1.404	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCCCC2)[C@H](C)C1	ZINC001106058506	865071455	/nfs/dbraw/zinc/07/14/55/865071455.db2.gz	BXYGYZSKHFMXQV-MBOZVWFJSA-N	1	0	365.518	1.400	20	30		FDEDRO
CC(C)C[NH+]1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000171023376	865077596	/nfs/dbraw/zinc/07/75/96/865077596.db2.gz	MBVOYWMCUVYXQH-UHFFFAOYSA-N	1	0	369.469	1.554	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nn(C)cc2Cl)[C@H](C)C1	ZINC001106065034	865105608	/nfs/dbraw/zinc/10/56/08/865105608.db2.gz	MZROTKKLHQOVNG-PBFPGSCMSA-N	1	0	354.882	1.585	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2cc(=O)c(OC)co2)[C@H](C)C1	ZINC001106064756	865109088	/nfs/dbraw/zinc/10/90/88/865109088.db2.gz	HINYVCWARAXYHJ-LPMFXHHGSA-N	1	0	364.442	1.160	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](CCc3cnn(CC)c3)[C@@H]2C)nn1	ZINC001088910973	865397830	/nfs/dbraw/zinc/39/78/30/865397830.db2.gz	SDOMGPCPAVMZRN-WBVHZDCISA-N	1	0	371.489	1.506	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCCN(C)C2=O)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088976092	865837032	/nfs/dbraw/zinc/83/70/32/865837032.db2.gz	FWOOMFHYOKTWEG-MNEFBYGVSA-N	1	0	368.481	1.896	20	30		FDEDRO
COc1ccc(C)cc1CONC(N)=C1C(=[NH2+])C2(CCCC2)N(C)C1=O	ZINC000063456340	865973699	/nfs/dbraw/zinc/97/36/99/865973699.db2.gz	JYOPZVDNQAXWGC-UHFFFAOYSA-N	1	0	358.442	1.790	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3ccc(F)cc3)[C@H]2C)C1=O	ZINC001089015587	866040054	/nfs/dbraw/zinc/04/00/54/866040054.db2.gz	GOSKGOPZGGCXKR-FHLIZLRMSA-N	1	0	359.445	1.734	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCc2scnc2C)C[C@H]1OC	ZINC001212194417	866086291	/nfs/dbraw/zinc/08/62/91/866086291.db2.gz	RTVAOPJXKHVCEN-CKEIUWERSA-N	1	0	353.488	1.137	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(=O)n(C)n2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001089022574	866115696	/nfs/dbraw/zinc/11/56/96/866115696.db2.gz	CGZJBBHTAYGISC-CJNGLKHVSA-N	1	0	351.410	1.045	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106083411	866158147	/nfs/dbraw/zinc/15/81/47/866158147.db2.gz	RRXLFQYPIOXBHV-GDBMZVCRSA-N	1	0	355.417	1.304	20	30		FDEDRO
C[NH+]=C(NCc1cccc(S(N)(=O)=O)c1)NC[C@H]1CCc2ccccc21	ZINC000174045391	866239078	/nfs/dbraw/zinc/23/90/78/866239078.db2.gz	YAKMYGKNUDYWTQ-MRXNPFEDSA-N	1	0	372.494	1.729	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)Cc2nnc(C)o2)C[C@H]1C	ZINC001106083676	866242799	/nfs/dbraw/zinc/24/27/99/866242799.db2.gz	XGAPBDMQYLAMSV-BXKDBHETSA-N	1	0	357.252	1.513	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106084242	866340546	/nfs/dbraw/zinc/34/05/46/866340546.db2.gz	FRZNDZXANXVHOK-GDBMZVCRSA-N	1	0	355.417	1.304	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3cc4n(n3)CCC4)[C@@H]2C)CC1	ZINC001089059503	866386599	/nfs/dbraw/zinc/38/65/99/866386599.db2.gz	OSKSXGUWQGPIQL-UZLBHIALSA-N	1	0	369.513	1.254	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2cc(C)cc(C#N)c2)CC1	ZINC000455982913	866606798	/nfs/dbraw/zinc/60/67/98/866606798.db2.gz	IEHGSVSLEPVXQA-UHFFFAOYSA-N	1	0	357.458	1.885	20	30		FDEDRO
C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H]1C)N1CCOCC1	ZINC001089084282	866639871	/nfs/dbraw/zinc/63/98/71/866639871.db2.gz	BDBOTQAQWKNATM-GJYPPUQNSA-N	1	0	356.470	1.358	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1	ZINC000991980505	866753772	/nfs/dbraw/zinc/75/37/72/866753772.db2.gz	ZOBFRPWIECGSEO-ZWOKBUDYSA-N	1	0	361.486	1.171	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)c2c[nH+]ccc2N(C)C)C1	ZINC000992066827	867616809	/nfs/dbraw/zinc/61/68/09/867616809.db2.gz	JAFDHPNBZOYXLQ-PBHICJAKSA-N	1	0	358.442	1.069	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000992075372	867704268	/nfs/dbraw/zinc/70/42/68/867704268.db2.gz	ZNLNGALFSDWMBX-SJORKVTESA-N	1	0	354.410	1.256	20	30		FDEDRO
Cc1ccc(CNC(=O)C[NH2+]C[C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2C)cc1	ZINC001106105077	868136689	/nfs/dbraw/zinc/13/66/89/868136689.db2.gz	LNSVHHKUJMQSJM-UYAOXDASSA-N	1	0	369.509	1.955	20	30		FDEDRO
NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@]12CCC[C@@H]1[N@H+](CC#Cc1ccc(F)cc1)CC2	ZINC000992177301	868172470	/nfs/dbraw/zinc/17/24/70/868172470.db2.gz	JNSODNBXZLUUOH-WKRCXCSHSA-N	1	0	369.440	1.412	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]CC(=O)NCc1ccccc1F	ZINC001106106301	868185205	/nfs/dbraw/zinc/18/52/05/868185205.db2.gz	QXPNLFQLQIHWAX-CRAIPNDOSA-N	1	0	371.456	1.539	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(NC(=O)[C@H]4C[C@H]4C(N)=O)CCC[C@H]23)s1	ZINC000992183079	868198064	/nfs/dbraw/zinc/19/80/64/868198064.db2.gz	SKIRXVUHFBSWEX-LLDVTBCESA-N	1	0	358.467	1.354	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3C[C@H]3C3CC[NH2+]CC3)cc2C1=O	ZINC000462887489	868228142	/nfs/dbraw/zinc/22/81/42/868228142.db2.gz	YLBJBRASXPVKAX-DOTOQJQBSA-N	1	0	353.422	1.587	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@](C(=O)OC)(c2ccccc2)C1	ZINC000428799923	868229248	/nfs/dbraw/zinc/22/92/48/868229248.db2.gz	KYEWTRMYZBFPHY-AUUYWEPGSA-N	1	0	359.426	1.203	20	30		FDEDRO
N#Cc1ccc(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1O	ZINC000443283934	868260232	/nfs/dbraw/zinc/26/02/32/868260232.db2.gz	LQWPEAFOOZHBKY-FQEVSTJZSA-N	1	0	351.406	1.631	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cncn3C)C[C@H]2CC1	ZINC000946786637	882172841	/nfs/dbraw/zinc/17/28/41/882172841.db2.gz	MDDZELDQVSLWHO-JFRXWTBNSA-N	1	0	358.486	1.682	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@](C(=O)OC)(c2ccccc2)C1	ZINC000428804084	868302407	/nfs/dbraw/zinc/30/24/07/868302407.db2.gz	SPYCWMVNSDERTF-OXQOHEQNSA-N	1	0	357.454	1.811	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)n2C2CC2)[C@H](C)C1	ZINC001106114750	868506271	/nfs/dbraw/zinc/50/62/71/868506271.db2.gz	IQZNRIKIFWETIB-GDBMZVCRSA-N	1	0	359.474	1.145	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)CC(F)(F)F)[C@H](C)C1	ZINC001106115416	868523574	/nfs/dbraw/zinc/52/35/74/868523574.db2.gz	WDDAZKUSEYISFE-MGPQQGTHSA-N	1	0	350.381	1.024	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1[N@H+](Cc1cnc(C)nc1)CC2	ZINC000992239582	868548232	/nfs/dbraw/zinc/54/82/32/868548232.db2.gz	JTYXGOWBCPCLKQ-RMJJICAUSA-N	1	0	356.470	1.989	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nc(CC3CC3)no2)[C@H](C)C1	ZINC001106116452	868569423	/nfs/dbraw/zinc/56/94/23/868569423.db2.gz	CRJGSEHYHFDFIU-IIAWOOMASA-N	1	0	360.458	1.245	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2nc(C(C)C)no2)[C@H](C)C1	ZINC001106117323	868594110	/nfs/dbraw/zinc/59/41/10/868594110.db2.gz	LNWIJQHZCYJICU-OWCLPIDISA-N	1	0	362.474	1.978	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1	ZINC001033288417	882213094	/nfs/dbraw/zinc/21/30/94/882213094.db2.gz	BCXOAEAHACRLLD-QRVBRYPASA-N	1	0	365.518	1.365	20	30		FDEDRO
C[C@@H](CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1)NC(N)=O	ZINC001106125861	868986938	/nfs/dbraw/zinc/98/69/38/868986938.db2.gz	FQYRIPHERGLSEK-JKIFEVAISA-N	1	0	357.458	1.189	20	30		FDEDRO
C#Cc1cncc(C(=O)NCC2CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC000992384175	869180608	/nfs/dbraw/zinc/18/06/08/869180608.db2.gz	XDGNWMVHWWHFRH-WGDNJCCTSA-N	1	0	354.454	1.028	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]2CC1	ZINC000946813615	882332008	/nfs/dbraw/zinc/33/20/08/882332008.db2.gz	YOGVUXVEIPCVRS-GFEQUFNTSA-N	1	0	350.503	1.909	20	30		FDEDRO
Cc1cc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1C#N	ZINC000443958170	870067200	/nfs/dbraw/zinc/06/72/00/870067200.db2.gz	CEPLMBSHPWPNKJ-UHFFFAOYSA-N	1	0	374.422	1.843	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000914023239	870395439	/nfs/dbraw/zinc/39/54/39/870395439.db2.gz	SDDHYICMZZKOTD-JTDSTZFVSA-N	1	0	359.470	1.479	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1	ZINC000914114022	870853732	/nfs/dbraw/zinc/85/37/32/870853732.db2.gz	MQAAYUGUTBBNJY-LJQANCHMSA-N	1	0	372.513	1.581	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(F)cc2F)C[C@H]1C	ZINC001106156892	871464189	/nfs/dbraw/zinc/46/41/89/871464189.db2.gz	VMXYCHIQFIFGOH-GDBMZVCRSA-N	1	0	350.409	1.841	20	30		FDEDRO
CC[C@@H](C)CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106178146	871624282	/nfs/dbraw/zinc/62/42/82/871624282.db2.gz	PQGPAEGWFYGUNP-BRWVUGGUSA-N	1	0	350.507	1.917	20	30		FDEDRO
CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1)[NH+]1CCCCC1	ZINC001002910556	871806156	/nfs/dbraw/zinc/80/61/56/871806156.db2.gz	SVKSEGSEEIESRL-KURKYZTESA-N	1	0	357.498	1.912	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(CNC(=O)C2CC[NH+](C)CC2)C1	ZINC001002919957	871823665	/nfs/dbraw/zinc/82/36/65/871823665.db2.gz	XRFYPGFJUJEKRB-ROUUACIJSA-N	1	0	363.502	1.274	20	30		FDEDRO
N#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[NH+]4CCC2CC4)C3)[nH]1	ZINC001002949211	871966719	/nfs/dbraw/zinc/96/67/19/871966719.db2.gz	CUSYPYIFFZWJLY-AHCXZYCDSA-N	1	0	367.453	1.090	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)ncn3C)[C@H](OC)C1	ZINC001212485297	872083303	/nfs/dbraw/zinc/08/33/03/872083303.db2.gz	WXTGOOADEPIOJO-SJLPKXTDSA-N	1	0	358.442	1.205	20	30		FDEDRO
COc1ccc(CN2C[C@@H](NC(=O)C(C)(C)C3CC3)[C@@H](O)C2)cc1C#N	ZINC001083712110	872283046	/nfs/dbraw/zinc/28/30/46/872283046.db2.gz	MFQCNVYIEWLIDX-SJORKVTESA-N	1	0	357.454	1.664	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CCCN2C(=O)[C@@H]2C[C@H]2CC)CC1	ZINC001003041327	872392024	/nfs/dbraw/zinc/39/20/24/872392024.db2.gz	ZEYMJIDJUBLELV-BHIYHBOVSA-N	1	0	359.514	1.827	20	30		FDEDRO
C[C@@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)[C@@H](C)C[N@@H+]1Cc1ccccc1	ZINC000499652369	872505972	/nfs/dbraw/zinc/50/59/72/872505972.db2.gz	HTADVJLEYDVCNQ-CABCVRRESA-N	1	0	367.453	1.055	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCN2CCCC2=O)C1	ZINC001033491886	882620496	/nfs/dbraw/zinc/62/04/96/882620496.db2.gz	LWMLMIHIHJBZLW-LNLFQRSKSA-N	1	0	363.502	1.513	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2COCCN2CC)[C@H](OC)C1	ZINC001212495895	872519337	/nfs/dbraw/zinc/51/93/37/872519337.db2.gz	STKSVIKDSNXAPM-KZNAEPCWSA-N	1	0	355.523	1.493	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2cc(CN(C)C)on2)[C@H](OC)C1	ZINC001212496049	872520668	/nfs/dbraw/zinc/52/06/68/872520668.db2.gz	WMZTVGMHSZWIOZ-QZTJIDSGSA-N	1	0	364.490	1.912	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCN(C[C@@H](C)O)C[C@H]1C	ZINC000914395927	872670333	/nfs/dbraw/zinc/67/03/33/872670333.db2.gz	SJMMWULVBAJYKD-HZPDHXFCSA-N	1	0	365.499	1.392	20	30		FDEDRO
C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1	ZINC001003152154	872673105	/nfs/dbraw/zinc/67/31/05/872673105.db2.gz	IXIMCCVJKDMILK-KGLIPLIRSA-N	1	0	350.381	1.880	20	30		FDEDRO
CC[NH+]1CCN(CCNS(=O)(=O)Cc2c(C)cc(C#N)cc2C)CC1	ZINC000914406599	872751805	/nfs/dbraw/zinc/75/18/05/872751805.db2.gz	KABBQBQZJGZYBS-UHFFFAOYSA-N	1	0	364.515	1.232	20	30		FDEDRO
CC(C)N1CC[C@@H](NC(=O)Cn2cnc(C#N)n2)[C@@H]1c1ccc(F)c(F)c1	ZINC000494092103	872809317	/nfs/dbraw/zinc/80/93/17/872809317.db2.gz	JBKSOMNTWMMEHN-QAPCUYQASA-N	1	0	374.395	1.768	20	30		FDEDRO
C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1CN(C(=O)C13CCC[NH+](CCC1)C3)C2	ZINC000992893971	873101467	/nfs/dbraw/zinc/10/14/67/873101467.db2.gz	AMZXKCLAAIUGIF-GHTZIAJQSA-N	1	0	369.509	1.583	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1	ZINC000992897846	873137322	/nfs/dbraw/zinc/13/73/22/873137322.db2.gz	JIXPJGIBXYWJPY-BBTUJRGHSA-N	1	0	357.498	1.581	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCO[C@@H](C)C2)[C@H](C)C1	ZINC001106185061	873158778	/nfs/dbraw/zinc/15/87/78/873158778.db2.gz	AFEOVFSQWGBHOU-IXDOHACOSA-N	1	0	365.518	1.520	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2(CC)CC2)CC1	ZINC001003365212	873204669	/nfs/dbraw/zinc/20/46/69/873204669.db2.gz	JBDKLYYKNXGNGI-KURKYZTESA-N	1	0	357.498	1.770	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2oncc2C)CC1	ZINC001003366883	873221398	/nfs/dbraw/zinc/22/13/98/873221398.db2.gz	YRYDPBVGOLBSQL-ZACQAIPSSA-N	1	0	370.453	1.190	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NC2CC2)[C@H](C)C1	ZINC001106192114	873258854	/nfs/dbraw/zinc/25/88/54/873258854.db2.gz	WGRYSBJBIRWYQO-QLFBSQMISA-N	1	0	364.490	1.404	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)CN2CCCC2=O)[C@H](C)C1	ZINC001106194195	873272589	/nfs/dbraw/zinc/27/25/89/873272589.db2.gz	BFLGFTCJWVVBRS-ZACQAIPSSA-N	1	0	351.491	1.010	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](CC)[NH+](C)C	ZINC001003500351	873607029	/nfs/dbraw/zinc/60/70/29/873607029.db2.gz	DECWZFNGJPDGAP-NCOADZHNSA-N	1	0	358.486	1.876	20	30		FDEDRO
C=CCCCNC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	ZINC000673374243	873668699	/nfs/dbraw/zinc/66/86/99/873668699.db2.gz	BZKUPDORTYIBQN-UHFFFAOYSA-N	1	0	351.491	1.468	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(OCC)nc2)C[C@H]1C	ZINC001106207863	873727502	/nfs/dbraw/zinc/72/75/02/873727502.db2.gz	XDTUBRHWRPORMS-GDBMZVCRSA-N	1	0	360.458	1.080	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(C[NH2+]CCS(=O)(=O)N2CCSCC2)cc1	ZINC000730578740	873837789	/nfs/dbraw/zinc/83/77/89/873837789.db2.gz	NKUMSYCFTATZDB-AWEZNQCLSA-N	1	0	369.512	1.446	20	30		FDEDRO
C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000914442663	873846186	/nfs/dbraw/zinc/84/61/86/873846186.db2.gz	JYIBUNWIICPEAW-RHDHSSKXSA-N	1	0	362.474	1.624	20	30		FDEDRO
C=CCCn1cc(C[NH2+]C[C@H](Cc2ccc(F)cc2C)C(=O)NC)nn1	ZINC000657495356	873908418	/nfs/dbraw/zinc/90/84/18/873908418.db2.gz	AKQDOSLYFUQIHV-INIZCTEOSA-N	1	0	359.449	1.996	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccccn2)C[C@H]1C	ZINC001106226309	873985440	/nfs/dbraw/zinc/98/54/40/873985440.db2.gz	WEUQOHMTUQLZBI-HZPDHXFCSA-N	1	0	367.453	1.419	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(CCOC)CC2)C[C@H]1C	ZINC001106230641	874030314	/nfs/dbraw/zinc/03/03/14/874030314.db2.gz	XBMJXKDYKXLIKM-BZUAXINKSA-N	1	0	351.491	1.178	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2[nH]ncc2C(F)(F)F)C[C@H]1C	ZINC001106232148	874033210	/nfs/dbraw/zinc/03/32/10/874033210.db2.gz	LQTONPVHRVQUBF-VXGBXAGGSA-N	1	0	358.364	1.376	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1nnnc1C(C)C)C2	ZINC001112542109	874088136	/nfs/dbraw/zinc/08/81/36/874088136.db2.gz	FVHPHDLXLGWKAG-LPHOPBHVSA-N	1	0	360.506	1.981	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1C	ZINC001106243120	874097225	/nfs/dbraw/zinc/09/72/25/874097225.db2.gz	VXAMSQCUXOSYRS-KGYLQXTDSA-N	1	0	358.280	1.105	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC[NH+](CCc2cnn(C)c2)CC1	ZINC001003762566	874188991	/nfs/dbraw/zinc/18/89/91/874188991.db2.gz	GMSCHCKTKNBOQE-OALUTQOASA-N	1	0	360.502	1.915	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)c3ccccc32)C[C@H]1C	ZINC001106260902	874210708	/nfs/dbraw/zinc/21/07/08/874210708.db2.gz	HGJAVJAAGWVKKO-SUYBPPKGSA-N	1	0	361.873	1.950	20	30		FDEDRO
Cn1ncc2c1ncn(N=Cc1ccc(OCC[NH+]3CCCC3)cc1)c2=O	ZINC000914695544	874508698	/nfs/dbraw/zinc/50/86/98/874508698.db2.gz	ZYBOXZXGFPWNQR-UHFFFAOYSA-N	1	0	366.425	1.487	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(=O)[nH]c(C3CC3)n2)C[C@H]1C	ZINC001106288612	874516296	/nfs/dbraw/zinc/51/62/96/874516296.db2.gz	OCWGFVIKVGNKIL-UKRRQHHQSA-N	1	0	358.442	1.007	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccsc2)C[C@H]1C	ZINC001106317872	874764657	/nfs/dbraw/zinc/76/46/57/874764657.db2.gz	YLNRTVDBZAGUNC-MXASKKJJSA-N	1	0	359.495	1.285	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2(C)CCC(F)(F)CC2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106334065	874821245	/nfs/dbraw/zinc/82/12/45/874821245.db2.gz	VZQWHNLDKJCWER-ZIAGYGMSSA-N	1	0	370.444	1.526	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2c3c[nH]nc3ccc2C)C[C@H]1C	ZINC001106346964	874847220	/nfs/dbraw/zinc/84/72/20/874847220.db2.gz	CPGLHAJJNQACNS-HZPDHXFCSA-N	1	0	354.454	1.819	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2csc(NC(C)=O)n2)C[C@H]1C	ZINC001106366077	874920723	/nfs/dbraw/zinc/92/07/23/874920723.db2.gz	LHXCYCAMUGRRJO-TZMCWYRMSA-N	1	0	366.487	1.602	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)o2)C[C@H]1C	ZINC001106372703	874950721	/nfs/dbraw/zinc/95/07/21/874950721.db2.gz	HFAOFTQDADOPAY-HZSPNIEDSA-N	1	0	369.487	1.579	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccccc2COC)C[C@H]1C	ZINC001106370476	874956680	/nfs/dbraw/zinc/95/66/80/874956680.db2.gz	QCEJCFDIDKQGRJ-JFIYKMOQSA-N	1	0	371.481	1.269	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(F)ccc2CC)C[C@H]1C	ZINC001106372806	874975722	/nfs/dbraw/zinc/97/57/22/874975722.db2.gz	MFVCMCITTGFUNQ-GDBMZVCRSA-N	1	0	361.461	1.988	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(COC)cs2)C[C@H]1C	ZINC001106379693	874994039	/nfs/dbraw/zinc/99/40/39/874994039.db2.gz	LAQZGDRXPOTZAA-GDBMZVCRSA-N	1	0	350.484	1.842	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2COc3ccccc3C2)C[C@H]1C	ZINC001106396339	875070089	/nfs/dbraw/zinc/07/00/89/875070089.db2.gz	MSBKAACVTCNJLW-KBAYOESNSA-N	1	0	371.481	1.224	20	30		FDEDRO
CC[C@@H](C(=O)N1C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@]2(C)C1)[NH+](C)C	ZINC000993163456	875218192	/nfs/dbraw/zinc/21/81/92/875218192.db2.gz	FPUAGRVHZCZKSR-AZOIQLNYSA-N	1	0	357.458	1.147	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1NC(=O)C[N@H+](C)C1CCC1	ZINC001212414631	912217077	/nfs/dbraw/zinc/21/70/77/912217077.db2.gz	PNVWMVJOIRPFTP-RTBURBONSA-N	1	0	356.470	1.358	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COCCN2CCCC)C[C@H]1C	ZINC001106475039	875561778	/nfs/dbraw/zinc/56/17/78/875561778.db2.gz	XHJFYSRDELUZMK-QRVBRYPASA-N	1	0	367.534	1.374	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C2CC2)[C@H](C)C1	ZINC001106486415	875640842	/nfs/dbraw/zinc/64/08/42/875640842.db2.gz	RWHFWWQOICBIIE-JXXFODFXSA-N	1	0	365.518	1.520	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3ccco3)on2)C[C@H]1C	ZINC001106495797	875714049	/nfs/dbraw/zinc/71/40/49/875714049.db2.gz	QASUCMOINMIRCF-HUUCEWRRSA-N	1	0	357.410	1.882	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnc3c(c2)c(C)nn3C)C[C@H]1C	ZINC001106502227	875730593	/nfs/dbraw/zinc/73/05/93/875730593.db2.gz	WRPALAZXDDHNAJ-RHSMWYFYSA-N	1	0	369.469	1.224	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cccnc2-n2cccn2)C[C@H]1C	ZINC001106508573	875764946	/nfs/dbraw/zinc/76/49/46/875764946.db2.gz	QIXAOCQMUTZZIL-IAGOWNOFSA-N	1	0	369.469	1.768	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(OC)cs2)C[C@H]1C	ZINC001106513556	875782113	/nfs/dbraw/zinc/78/21/13/875782113.db2.gz	BVEOOFONQWVDRY-HZSPNIEDSA-N	1	0	365.499	1.745	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)[C@H](C)C1	ZINC001106517880	875814638	/nfs/dbraw/zinc/81/46/38/875814638.db2.gz	XUGOTAJTZAZDER-HUUCEWRRSA-N	1	0	359.536	1.164	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC([C@@H]3COC(=O)N3)CC2)CC1	ZINC000917097541	882965092	/nfs/dbraw/zinc/96/50/92/882965092.db2.gz	ALGIRADTTIHLFT-INIZCTEOSA-N	1	0	350.463	1.557	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@H]2CCCO2)[C@H](C)C1	ZINC001106527057	875844856	/nfs/dbraw/zinc/84/48/56/875844856.db2.gz	GOHGUTVPSUUERF-BZUAXINKSA-N	1	0	351.491	1.178	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]CCN2C(=O)NC(C)(C)C2=O)[C@H](C)C1	ZINC001106531232	875864166	/nfs/dbraw/zinc/86/41/66/875864166.db2.gz	UDPKIMBKBCSFQN-ZIAGYGMSSA-N	1	0	364.490	1.213	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2nc(Cl)cs2)C[C@H]1C	ZINC001106581565	876026917	/nfs/dbraw/zinc/02/69/17/876026917.db2.gz	IKDCAXKRBYSSGC-IJLUTSLNSA-N	1	0	368.890	1.232	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2coc(C(F)F)c2)C[C@H]1C	ZINC001106585377	876044923	/nfs/dbraw/zinc/04/49/23/876044923.db2.gz	IFTSNLKIVMHCMW-DGCLKSJQSA-N	1	0	353.369	1.264	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3cccnc3)on2)C[C@H]1C	ZINC001106606175	876166743	/nfs/dbraw/zinc/16/67/43/876166743.db2.gz	CVBHSZMCKXBTMP-NVXWUHKLSA-N	1	0	368.437	1.684	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@@]3(C)C2)cc1	ZINC000993209291	876178060	/nfs/dbraw/zinc/17/80/60/876178060.db2.gz	ZUKYNEZIZDWGKA-NNMXDRDESA-N	1	0	365.477	1.683	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccnc2OC)C[C@H]1C	ZINC001106620157	876222872	/nfs/dbraw/zinc/22/28/72/876222872.db2.gz	PTGBSDZXFDJVMH-QLFBSQMISA-N	1	0	360.458	1.079	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C[NH2+]CCN3C(=O)CCC3=O)[C@H](C)C2)CC1	ZINC001106633225	876283798	/nfs/dbraw/zinc/28/37/98/876283798.db2.gz	FGYJPGPAOMAKGY-NVXWUHKLSA-N	1	0	361.486	1.566	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCCOCC)[C@H](C)C2)CCC1	ZINC001106631029	876294078	/nfs/dbraw/zinc/29/40/78/876294078.db2.gz	KOTLQYKXSMWMSI-IAGOWNOFSA-N	1	0	365.518	1.570	20	30		FDEDRO
C[C@@H](CCNc1ncc(C#N)cc1Cl)NC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC001106642180	876338112	/nfs/dbraw/zinc/33/81/12/876338112.db2.gz	JNUKKFATFRHOOK-YWPYICTPSA-N	1	0	365.865	1.632	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]CCOCCNC(C)=O)[C@H](C)C2)C1	ZINC001106648946	876370513	/nfs/dbraw/zinc/37/05/13/876370513.db2.gz	YBFRIFNVNBUXMQ-NVXWUHKLSA-N	1	0	351.491	1.180	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)[C@H](C)C2)c1	ZINC001106650873	876390162	/nfs/dbraw/zinc/39/01/62/876390162.db2.gz	HXMZJJAKNSVUTI-RHSMWYFYSA-N	1	0	356.470	1.275	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCC(F)(F)C2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106657661	876427962	/nfs/dbraw/zinc/42/79/62/876427962.db2.gz	MHVQQVVRNAAWMD-HZSPNIEDSA-N	1	0	356.417	1.136	20	30		FDEDRO
CCc1ncnc(CC)c1C(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1	ZINC001106675960	876538805	/nfs/dbraw/zinc/53/88/05/876538805.db2.gz	VQNIIWPVQKAVJO-HZPDHXFCSA-N	1	0	358.486	1.549	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CC)[C@H](C)C1	ZINC001106680685	876549099	/nfs/dbraw/zinc/54/90/99/876549099.db2.gz	COKVCCNONDBJNP-VQHPVUNQSA-N	1	0	351.491	1.130	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)COc2cccc(OC)c2)C[C@H]1C	ZINC001106685810	876559376	/nfs/dbraw/zinc/55/93/76/876559376.db2.gz	GNRKGYGSPVKQHH-IAGOWNOFSA-N	1	0	362.470	1.961	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(Cl)c(F)c2)C[C@H]1C	ZINC001106693304	876574007	/nfs/dbraw/zinc/57/40/07/876574007.db2.gz	AWLFKGXFBLMYNW-TZMCWYRMSA-N	1	0	365.836	1.526	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3ccco3)n[nH]2)C[C@H]1C	ZINC001106689528	876580146	/nfs/dbraw/zinc/58/01/46/876580146.db2.gz	GLSMCFARGFSAFW-ZIAGYGMSSA-N	1	0	371.441	1.270	20	30		FDEDRO
Cc1cccc([C@H](C)C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)c1	ZINC001106710886	876899064	/nfs/dbraw/zinc/89/90/64/876899064.db2.gz	AOBOGQXOHRGTEP-SOLBZPMBSA-N	1	0	356.470	1.422	20	30		FDEDRO
CCc1ccc(CC(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)cc1	ZINC001106712907	876905899	/nfs/dbraw/zinc/90/58/99/876905899.db2.gz	RDGKZPYGMYCGOP-CRAIPNDOSA-N	1	0	356.470	1.115	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2nn(C)c(C)c2Cl)C[C@H]1C	ZINC001106713038	876906815	/nfs/dbraw/zinc/90/68/15/876906815.db2.gz	YHRIPSRVISHCTH-TZMCWYRMSA-N	1	0	352.866	1.329	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1C	ZINC001106708448	876916035	/nfs/dbraw/zinc/91/60/35/876916035.db2.gz	ULIGFYKOTDJMIE-KFWWJZLASA-N	1	0	352.479	1.239	20	30		FDEDRO
C[C@@H]1CN(C(=O)COC[C@@H]2CCOC2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001106724713	876979295	/nfs/dbraw/zinc/97/92/95/876979295.db2.gz	RVVIYJIVMAXOSE-NSISKUIASA-N	1	0	371.481	1.795	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)c2ccccc2C)C[C@H]1C	ZINC001106727676	877005830	/nfs/dbraw/zinc/00/58/30/877005830.db2.gz	PQKMUKVFMOWLPM-IPMKNSEASA-N	1	0	369.509	1.922	20	30		FDEDRO
CC#CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1	ZINC001003776560	877172025	/nfs/dbraw/zinc/17/20/25/877172025.db2.gz	VVHRHCDSLHNEMI-PKOBYXMFSA-N	1	0	354.454	1.205	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)C[C@H]1C	ZINC001106739601	877358652	/nfs/dbraw/zinc/35/86/52/877358652.db2.gz	WDEHOXVLJVWUBU-FDMSBESTSA-N	1	0	365.477	1.006	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)COCc2ccccc2C)C[C@H]1C	ZINC001106748273	877481024	/nfs/dbraw/zinc/48/10/24/877481024.db2.gz	REYAEWVCLLTBOT-UYAOXDASSA-N	1	0	358.482	1.846	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@]3(C)C2)CC1	ZINC000993352410	877485451	/nfs/dbraw/zinc/48/54/51/877485451.db2.gz	LGNLTEMULTWIID-RIFZZMRRSA-N	1	0	360.502	1.573	20	30		FDEDRO
C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1	ZINC000272462066	877532324	/nfs/dbraw/zinc/53/23/24/877532324.db2.gz	CSPAIGLCNLNPHQ-UHFFFAOYSA-N	1	0	360.462	1.296	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C)cc3cn[nH]c32)C[C@H]1C	ZINC001106763430	877619535	/nfs/dbraw/zinc/61/95/35/877619535.db2.gz	HOJFKMRSPHJQQI-GDBMZVCRSA-N	1	0	369.469	1.471	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccncn2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106781873	877808672	/nfs/dbraw/zinc/80/86/72/877808672.db2.gz	KEKNPRYXLJRDBK-NVXWUHKLSA-N	1	0	352.413	1.965	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CC(c3ccc(C)cc3)=NO2)CC1	ZINC000922365038	877930908	/nfs/dbraw/zinc/93/09/08/877930908.db2.gz	UGCZHCOYVPFXIA-SFHVURJKSA-N	1	0	354.454	1.885	20	30		FDEDRO
C[NH+]1CCC(NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000272563764	877936916	/nfs/dbraw/zinc/93/69/16/877936916.db2.gz	NQQVOFUODKOMDY-KRWDZBQOSA-N	1	0	355.442	1.447	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](c2cccnc2)C(C)C)C[C@H]1C	ZINC001106801875	878037403	/nfs/dbraw/zinc/03/74/03/878037403.db2.gz	HARNXKFSWQFPLN-YVWKXTFCSA-N	1	0	370.497	1.255	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c[nH]cc2C2CC2)C[C@H]1C	ZINC001106818593	878267198	/nfs/dbraw/zinc/26/71/98/878267198.db2.gz	SBKVCQJEUWQRRB-IJEWVQPXSA-N	1	0	356.470	1.328	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)Oc3ccc(OC)cc3)[C@H]2C1	ZINC001083158438	912395410	/nfs/dbraw/zinc/39/54/10/912395410.db2.gz	ZKTFRNILWCXAOM-AYOQOUSVSA-N	1	0	360.454	1.950	20	30		FDEDRO
CN(Cc1ccccc1)C(=O)CNC(=O)C[NH2+]C1CCC(C)(C#N)CC1	ZINC000922761129	879179774	/nfs/dbraw/zinc/17/97/74/879179774.db2.gz	AKICCUKRTJEXLC-UHFFFAOYSA-N	1	0	356.470	1.823	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1	ZINC000332797825	879645964	/nfs/dbraw/zinc/64/59/64/879645964.db2.gz	SUMKAALKGPTQJW-KDOFPFPSSA-N	1	0	370.453	1.137	20	30		FDEDRO
C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)[C@H](C)C1	ZINC000993867814	880028363	/nfs/dbraw/zinc/02/83/63/880028363.db2.gz	DZWGNAISMRZUTF-IIAWOOMASA-N	1	0	357.458	1.195	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC000993909815	880118464	/nfs/dbraw/zinc/11/84/64/880118464.db2.gz	BKZXWKZOGBIQLA-CPUCHLNUSA-N	1	0	357.458	1.195	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[C@H](C)C1	ZINC000994034431	880480390	/nfs/dbraw/zinc/48/03/90/880480390.db2.gz	UKUNXUPWKKSTLY-LSTHTHJFSA-N	1	0	367.493	1.373	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2csc(Cl)n2)C[C@H]1C	ZINC001106841730	880679412	/nfs/dbraw/zinc/67/94/12/880679412.db2.gz	ORRVUQVXDFGCTH-GHMZBOCLSA-N	1	0	356.879	1.396	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CCCC[N@H+]2C)cn1	ZINC001004739640	881193433	/nfs/dbraw/zinc/19/34/33/881193433.db2.gz	JJCFUTFEZZTLIT-AKHDSKFASA-N	1	0	366.465	1.409	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](CC)[NH+](C)C)nc1	ZINC001004743318	881194834	/nfs/dbraw/zinc/19/48/34/881194834.db2.gz	UIHCISYNHFQEOI-BGTYHANMSA-N	1	0	354.454	1.265	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CC[NH+](CC2)C3)cn1	ZINC001004744459	881196498	/nfs/dbraw/zinc/19/64/98/881196498.db2.gz	LDEPJYOYHNREOC-KURKYZTESA-N	1	0	364.449	1.020	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](C2CC2)[NH+](C)C)cn1	ZINC001004746258	881200139	/nfs/dbraw/zinc/20/01/39/881200139.db2.gz	BIPCSVWMHCAUQE-AKHDSKFASA-N	1	0	366.465	1.265	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)Cc3csc(C#N)c3)[C@H]2C1	ZINC000915887401	881217213	/nfs/dbraw/zinc/21/72/13/881217213.db2.gz	SESHVOCICKUZQA-LSDHHAIUSA-N	1	0	355.485	1.245	20	30		FDEDRO
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H]1C[N@H+](C)CCN1C	ZINC000496188493	881244431	/nfs/dbraw/zinc/24/44/31/881244431.db2.gz	NLVVDZHVLOJMPP-GOSISDBHSA-N	1	0	362.522	1.798	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1	ZINC000917527704	883522732	/nfs/dbraw/zinc/52/27/32/883522732.db2.gz	NOJOZOOSRSBUED-UHFFFAOYSA-N	1	0	351.472	1.213	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1	ZINC000917528110	883522775	/nfs/dbraw/zinc/52/27/75/883522775.db2.gz	PUMMZAVECFPHDA-UHFFFAOYSA-N	1	0	351.472	1.213	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](CCn2nc(C)nc2C)C1	ZINC001033955359	883583039	/nfs/dbraw/zinc/58/30/39/883583039.db2.gz	ZKYUEKGWKJRYBW-KSZLIROESA-N	1	0	361.490	1.409	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)CC(C)(C)C1	ZINC001089389273	883683755	/nfs/dbraw/zinc/68/37/55/883683755.db2.gz	NHQHHZBUVQAPFH-OAGGEKHMSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@H+](CC2CC3(CCC3)C2)C[C@@H]1n1ccnn1	ZINC001128811757	883700598	/nfs/dbraw/zinc/70/05/98/883700598.db2.gz	CLQNCJGJICFPTP-SJORKVTESA-N	1	0	359.474	1.403	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](CC/C=C\c2ccccc2)C[C@@H]1n1ccnn1	ZINC001128829744	883754849	/nfs/dbraw/zinc/75/48/49/883754849.db2.gz	JDPPDRNZRPXJAQ-HGOFRRQOSA-N	1	0	364.453	1.883	20	30		FDEDRO
Cc1cc(CN2C[C@@H](NC(=O)[C@@H](C)C#N)[C@@H](n3ccnn3)C2)c(C)s1	ZINC001128833716	883782568	/nfs/dbraw/zinc/78/25/68/883782568.db2.gz	AEXAVFIXBULMRK-XZJROXQQSA-N	1	0	358.471	1.658	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1	ZINC000917821754	883816231	/nfs/dbraw/zinc/81/62/31/883816231.db2.gz	AYWTWDFDHPXVDI-AWEZNQCLSA-N	1	0	359.455	1.815	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)CCC(F)(F)F)[C@@H](n2ccnn2)C1	ZINC001128878140	883916318	/nfs/dbraw/zinc/91/63/18/883916318.db2.gz	MNJNQDLTVPEHBX-OLZOCXBDSA-N	1	0	361.368	1.165	20	30		FDEDRO
C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1	ZINC001034246599	883973663	/nfs/dbraw/zinc/97/36/63/883973663.db2.gz	GYODOXVGSPXOPL-YQVWRLOYSA-N	1	0	358.486	1.975	20	30		FDEDRO
C[C@H](CNc1ccncc1C#N)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1	ZINC001108124062	884088545	/nfs/dbraw/zinc/08/85/45/884088545.db2.gz	YJVLROAEVGUMPG-LZQZEXGQSA-N	1	0	363.465	1.637	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@@H]1n1ccnn1	ZINC001128930085	884150495	/nfs/dbraw/zinc/15/04/95/884150495.db2.gz	QTZRIIXCBIYHDT-AOIWGVFYSA-N	1	0	361.490	1.527	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]CC[C@H]2CCCO2)[C@H](C)C1	ZINC001106890970	884204140	/nfs/dbraw/zinc/20/41/40/884204140.db2.gz	POPWAKKJUKUSGA-KZNAEPCWSA-N	1	0	371.481	1.960	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2ncc[nH]2)[C@@H](n2ccnn2)C1	ZINC001128945136	884271026	/nfs/dbraw/zinc/27/10/26/884271026.db2.gz	RCHLCUMSCCUJQZ-OAGGEKHMSA-N	1	0	357.462	1.330	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CCN(c2ccccc2F)C1=O)C1CC[NH+](C)CC1	ZINC000918283817	884283603	/nfs/dbraw/zinc/28/36/03/884283603.db2.gz	LVXSNPPOEMBAPS-KRWDZBQOSA-N	1	0	372.444	1.670	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1	ZINC001034397457	884289352	/nfs/dbraw/zinc/28/93/52/884289352.db2.gz	ADEDWIKLMMZFNI-NXHRZFHOSA-N	1	0	370.453	1.181	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@H]2C)c1	ZINC000994567322	884325135	/nfs/dbraw/zinc/32/51/35/884325135.db2.gz	GQLLIRQAQAZRAK-JTDSTZFVSA-N	1	0	368.481	1.372	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CCN2CCCC2=O)C1	ZINC001034437485	884371476	/nfs/dbraw/zinc/37/14/76/884371476.db2.gz	ZXVGVFOROFBLNA-AOIWGVFYSA-N	1	0	363.502	1.561	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2ncn(C)n2)[C@@H](n2ccnn2)C1	ZINC001128952863	884403845	/nfs/dbraw/zinc/40/38/45/884403845.db2.gz	GFATYOZTAVPDJV-CABCVRRESA-N	1	0	360.466	1.032	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(C)co2)C3)CC1	ZINC000999469841	912823596	/nfs/dbraw/zinc/82/35/96/912823596.db2.gz	SWGRSXSHLIXSFB-SQNIBIBYSA-N	1	0	369.465	1.795	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC2(OC)CCC2)[C@@H](n2ccnn2)C1	ZINC001128958147	884452740	/nfs/dbraw/zinc/45/27/40/884452740.db2.gz	SDSWCRALJFBYAL-ZACQAIPSSA-N	1	0	361.490	1.934	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCCC2CCC2)C[C@@H]1n1ccnn1	ZINC001128966554	884476938	/nfs/dbraw/zinc/47/69/38/884476938.db2.gz	BSPQZQWCIZREQC-AOIWGVFYSA-N	1	0	361.490	1.527	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(CC[NH2+][C@H]2CCN(C)C2=O)CC1	ZINC001034573475	884525773	/nfs/dbraw/zinc/52/57/73/884525773.db2.gz	MEEDPZYRBCSSML-BZSNNMDCSA-N	1	0	363.502	1.417	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCC(F)(F)C2)C[C@@H]1n1ccnn1	ZINC001128976537	884547684	/nfs/dbraw/zinc/54/76/84/884547684.db2.gz	YGVNSZUFIWSICK-OAGGEKHMSA-N	1	0	365.428	1.714	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1n1ccnn1	ZINC001128980098	884568483	/nfs/dbraw/zinc/56/84/83/884568483.db2.gz	NCUYEAOOPQDTDE-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCN(CC)C2=O)CC1	ZINC001034648489	884616942	/nfs/dbraw/zinc/61/69/42/884616942.db2.gz	IXGOAFGMRVVZHI-DZVNLGKHSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCO[C@H]3CC)CC2)C1=O	ZINC001034696305	884810549	/nfs/dbraw/zinc/81/05/49/884810549.db2.gz	PCCWZIYDFDKTMR-DZVNLGKHSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)Cc2ccncc2C)[C@@H](n2ccnn2)C1	ZINC001128993794	884899235	/nfs/dbraw/zinc/89/92/35/884899235.db2.gz	RWRVLEIHTLKORI-MSOLQXFVSA-N	1	0	354.458	1.532	20	30		FDEDRO
CCOC(=O)N1CCC(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)CC1	ZINC000918757056	884914040	/nfs/dbraw/zinc/91/40/40/884914040.db2.gz	KHXPYHRFKLRJBN-UHFFFAOYSA-N	1	0	362.434	1.240	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1	ZINC000918806814	884944151	/nfs/dbraw/zinc/94/41/51/884944151.db2.gz	DMJFWXGWJNNOIA-SFHVURJKSA-N	1	0	357.454	1.751	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCC3CCOCC3)C[C@@H]2O)cn1	ZINC001083970821	912922449	/nfs/dbraw/zinc/92/24/49/912922449.db2.gz	JMIZQURPRVNRLG-MOPGFXCFSA-N	1	0	357.454	1.045	20	30		FDEDRO
N#Cc1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC001034999871	885478598	/nfs/dbraw/zinc/47/85/98/885478598.db2.gz	LRPHIGXRFVMIPS-ZGXWSNOMSA-N	1	0	369.465	1.690	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cncs2)[C@@H](n2ccnn2)C1	ZINC001129054946	885587833	/nfs/dbraw/zinc/58/78/33/885587833.db2.gz	RFFVKWHEAJNANM-IMJJTQAJSA-N	1	0	360.487	1.674	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC(C)(C)C1	ZINC001089491151	885625198	/nfs/dbraw/zinc/62/51/98/885625198.db2.gz	JCMCMIKHMYZRGB-BBWFWOEESA-N	1	0	365.518	1.805	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc(OCC)n[nH]2)[C@@H](n2ccnn2)C1	ZINC001129064970	885628687	/nfs/dbraw/zinc/62/86/87/885628687.db2.gz	OWUKTJXJXUAEOY-CABCVRRESA-N	1	0	359.434	1.021	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC[N@@H+]([C@@H]3CCNC3=O)C2)CC1	ZINC001035186203	885696819	/nfs/dbraw/zinc/69/68/19/885696819.db2.gz	WEWMYJOAJPMYSY-ZACQAIPSSA-N	1	0	361.486	1.171	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2cncn2C)[C@@H](n2ccnn2)C1	ZINC001129094080	885725185	/nfs/dbraw/zinc/72/51/85/885725185.db2.gz	YQNDSMGTJXTBNO-WBVHZDCISA-N	1	0	359.478	1.637	20	30		FDEDRO
C=CCNC(=O)NC(=O)COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000923845562	885739578	/nfs/dbraw/zinc/73/95/78/885739578.db2.gz	YOSXPYOVGSOOTK-GOEBONIOSA-N	1	0	359.426	1.310	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@H]1C(N)=O)CC2	ZINC001035228401	885777894	/nfs/dbraw/zinc/77/78/94/885777894.db2.gz	MLJRMJJAOQOFIQ-MSOLQXFVSA-N	1	0	366.465	1.494	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N[C@@H](C)C3CC3)[C@H](C)C2)nc1	ZINC001106894893	885813828	/nfs/dbraw/zinc/81/38/28/885813828.db2.gz	YEXUQHNNNVHHQP-RVKKMQEKSA-N	1	0	368.481	1.275	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2ccc(C)n2)[C@@H](n2ccnn2)C1	ZINC001129147766	885877830	/nfs/dbraw/zinc/87/78/30/885877830.db2.gz	OVMZDTWIPJSAQA-BBWFWOEESA-N	1	0	357.462	1.352	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)CC(N)=O)[C@@H](n2ccnn2)C1	ZINC001129153752	885885500	/nfs/dbraw/zinc/88/55/00/885885500.db2.gz	FABDUFKPJQBAKZ-OAGGEKHMSA-N	1	0	364.494	1.102	20	30		FDEDRO
Cc1ccc(C#N)c(NCCOCCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1	ZINC001127505504	885910482	/nfs/dbraw/zinc/91/04/82/885910482.db2.gz	QYAAMJBJLIFJLA-NVXWUHKLSA-N	1	0	359.474	1.489	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)NC(C)(C)C)[C@H](C)C2)cn1	ZINC001106896304	886020590	/nfs/dbraw/zinc/02/05/90/886020590.db2.gz	FRAAFZNPFQGICN-BFYDXBDKSA-N	1	0	370.497	1.664	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)NCC(C)C)[C@H](C)C2)cn1	ZINC001106896345	886023256	/nfs/dbraw/zinc/02/32/56/886023256.db2.gz	HLYUUQGMJYEGKF-JFIYKMOQSA-N	1	0	370.497	1.521	20	30		FDEDRO
C#CCCN1CCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1	ZINC001035516927	886109953	/nfs/dbraw/zinc/10/99/53/886109953.db2.gz	MWKUHRSAAAENHS-ZCNNSNEGSA-N	1	0	355.482	1.172	20	30		FDEDRO
C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCO[C@H]1c1nccn1C)CC2	ZINC001035725812	886380188	/nfs/dbraw/zinc/38/01/88/886380188.db2.gz	FSRCXAUCRUFQJL-QZTJIDSGSA-N	1	0	370.497	1.836	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(Cc3cc(C)ccc3OC)CC2)CC1	ZINC000919963713	886443558	/nfs/dbraw/zinc/44/35/58/886443558.db2.gz	YDASFNJHDRIEPA-UHFFFAOYSA-N	1	0	369.509	1.993	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CN(Cc3ccn(CC)n3)C2)CC1	ZINC001035800766	886482544	/nfs/dbraw/zinc/48/25/44/886482544.db2.gz	KKFMQQPSTWJUHN-MSOLQXFVSA-N	1	0	358.486	1.919	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)c1cccc(C#N)c1)C2	ZINC000920276314	886804776	/nfs/dbraw/zinc/80/47/76/886804776.db2.gz	WEVHCYRIGNCATM-BDXSIMOUSA-N	1	0	363.483	1.316	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](COC)OC)[C@@H](n2ccnn2)C1	ZINC001129243555	886810580	/nfs/dbraw/zinc/81/05/80/886810580.db2.gz	SJCCSDISPRPTEI-IKGGRYGDSA-N	1	0	367.494	1.251	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]CCNC(=O)[C@H]2OCC[C@H]2C(C)C)c1	ZINC001127539136	886823015	/nfs/dbraw/zinc/82/30/15/886823015.db2.gz	UBBAWRQLTNUAMF-HKUYNNGSSA-N	1	0	357.454	1.373	20	30		FDEDRO
CCCN1c2ccccc2C(=NNC(=S)NC2CC[NH+](C)CC2)C1=O	ZINC000920307620	886852399	/nfs/dbraw/zinc/85/23/99/886852399.db2.gz	UXTSIZHQWWHOJP-UHFFFAOYSA-N	1	0	359.499	1.706	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1)C1CC[NH+](C)CC1	ZINC000920412456	886915421	/nfs/dbraw/zinc/91/54/21/886915421.db2.gz	QRTJFLUMDQUIRY-MRXNPFEDSA-N	1	0	358.490	1.128	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1C[C@@H](C)N(c2ccccc2)C1=O)C1CC[NH+](C)CC1	ZINC000920616888	887097908	/nfs/dbraw/zinc/09/79/08/887097908.db2.gz	ZQFYYTWRSKFSRS-APWZRJJASA-N	1	0	368.481	1.919	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(C#N)c(Cl)s2)CC[N@@H+]1C	ZINC001062598434	887141614	/nfs/dbraw/zinc/14/16/14/887141614.db2.gz	SMPGFSPEPHZWFG-NOOOWODRSA-N	1	0	365.890	1.798	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1cc(C)c(C)nn1)C(C)C	ZINC000411139046	887153719	/nfs/dbraw/zinc/15/37/19/887153719.db2.gz	BNCQYFSOJVALSO-MRXNPFEDSA-N	1	0	359.474	1.847	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)NC[C@@H]3CCC[C@@H]([NH3+])C3)n2)c(F)c1	ZINC000415442252	887663114	/nfs/dbraw/zinc/66/31/14/887663114.db2.gz	FFLFKRUJVXATGB-ZIAGYGMSSA-N	1	0	356.405	2.522	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CCC[C@H](C#N)C2)CC1	ZINC000921362654	887751498	/nfs/dbraw/zinc/75/14/98/887751498.db2.gz	WHINFHWPPVGEKB-MRXNPFEDSA-N	1	0	363.506	1.558	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCCc2cccc(C)c2)C[C@H]1OC	ZINC001212257767	888071499	/nfs/dbraw/zinc/07/14/99/888071499.db2.gz	IJVWECMDTZNZTC-DFQSSKMNSA-N	1	0	358.482	1.781	20	30		FDEDRO
C=CCn1c(-c2ccccc2OC)nnc1N1CCN(CCOC)CC1	ZINC000282144090	888095232	/nfs/dbraw/zinc/09/52/32/888095232.db2.gz	BSFPLQJNSUJFPE-UHFFFAOYSA-N	1	0	357.458	1.908	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ncccc2Cl)C[C@H]1C	ZINC001106901936	888147666	/nfs/dbraw/zinc/14/76/66/888147666.db2.gz	VBMVXKNCYKLHAB-HZSPNIEDSA-N	1	0	362.861	1.171	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3cccc4c3CCOC4)C[C@@H]2O)C1	ZINC001083763684	888203617	/nfs/dbraw/zinc/20/36/17/888203617.db2.gz	WSBIGKPINHFGAO-MOPGFXCFSA-N	1	0	356.466	1.777	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2cccc(NC(C)=O)c2)C[C@H]1C	ZINC001106903901	888368255	/nfs/dbraw/zinc/36/82/55/888368255.db2.gz	PNHKYWKRPQQVTQ-VQIMIIECSA-N	1	0	371.481	1.521	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1	ZINC000938523157	888734807	/nfs/dbraw/zinc/73/48/07/888734807.db2.gz	QMNSEJBLAHVGEB-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
N#CCOc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)cc1	ZINC001031743335	888921498	/nfs/dbraw/zinc/92/14/98/888921498.db2.gz	OQYORWNXEXMCIQ-QZTJIDSGSA-N	1	0	365.437	1.664	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1	ZINC000462016308	889032881	/nfs/dbraw/zinc/03/28/81/889032881.db2.gz	NBZSCJTXPISQIN-IUODEOHRSA-N	1	0	353.430	1.861	20	30		FDEDRO
C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1	ZINC001089694391	889116642	/nfs/dbraw/zinc/11/66/42/889116642.db2.gz	UJXYUWFPLUKSHI-OAGGEKHMSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnn(CCOC)c2C)[C@H](OC)C1	ZINC001212277561	889140224	/nfs/dbraw/zinc/14/02/24/889140224.db2.gz	RZZSNHVSBOCJBR-BMGDILEWSA-N	1	0	364.490	1.622	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)CN1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1	ZINC000923402560	889141950	/nfs/dbraw/zinc/14/19/50/889141950.db2.gz	YEKIHBFBRPJETH-KFWWJZLASA-N	1	0	357.376	1.757	20	30		FDEDRO
COc1cccc([C@@H]2C[NH2+]CCN2C[C@@H](O)COc2ccccc2C#N)c1	ZINC000923424410	889202650	/nfs/dbraw/zinc/20/26/50/889202650.db2.gz	XGJCOFNNWNGGSE-QUCCMNQESA-N	1	0	367.449	1.953	20	30		FDEDRO
COc1cccc([C@H]2C[NH2+]CCN2C[C@H](O)COc2ccc(C#N)cc2)c1	ZINC000923421157	889223669	/nfs/dbraw/zinc/22/36/69/889223669.db2.gz	GBIBLDCAODTABM-GHTZIAJQSA-N	1	0	367.449	1.953	20	30		FDEDRO
CC[C@H](C)[N@H+](C)CCNC(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C	ZINC000462111282	889255392	/nfs/dbraw/zinc/25/53/92/889255392.db2.gz	ZDEYEFDTMLISCQ-AWEZNQCLSA-N	1	0	355.446	2.299	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC000946902440	889259842	/nfs/dbraw/zinc/25/98/42/889259842.db2.gz	UDWHXJVGTUVJCD-DDBAPUKQSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)N[C@@H](C)CCCCC	ZINC001127608814	889727439	/nfs/dbraw/zinc/72/74/39/889727439.db2.gz	IGSAFMGBXTXAAT-BBWFWOEESA-N	1	0	353.507	1.758	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)[C@H]2CCO[C@@H]2CNC(=O)OC(C)(C)C)C1	ZINC000923556265	889810939	/nfs/dbraw/zinc/81/09/39/889810939.db2.gz	WVGCPJJQEYHUFL-HRCADAONSA-N	1	0	365.474	1.130	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1	ZINC000923583839	889947991	/nfs/dbraw/zinc/94/79/91/889947991.db2.gz	UOIRAMQNCLEWHV-HNNXBMFYSA-N	1	0	367.409	1.823	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1	ZINC000999878672	913403166	/nfs/dbraw/zinc/40/31/66/913403166.db2.gz	UGPCMTPBHPMPTE-ZRGWGRIASA-N	1	0	367.465	1.117	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)c3ccc(C#N)[nH]3)CCC2)CC[N@@H+]1C	ZINC001062815843	890059600	/nfs/dbraw/zinc/05/96/00/890059600.db2.gz	IUBVLJQHFXFDLR-GOEBONIOSA-N	1	0	357.458	1.385	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)Oc2ccccc2F)[C@H](OC)C1	ZINC001212318645	890063044	/nfs/dbraw/zinc/06/30/44/890063044.db2.gz	FCZWLVAUQOBRBG-QGPMSJSTSA-N	1	0	366.433	1.611	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)NC(=O)C2CCCC2)[C@H](OC)C1	ZINC001212318661	890063516	/nfs/dbraw/zinc/06/35/16/890063516.db2.gz	FUMIUERTSIPYAO-DJIMGWMZSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)NC(=O)CC(F)(F)F)[C@H](OC)C1	ZINC001212315917	890067736	/nfs/dbraw/zinc/06/77/36/890067736.db2.gz	AOUQBBVHIHZEGI-YNEHKIRRSA-N	1	0	365.396	1.225	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1(NC(=O)C[N@@H+](C)CCC)CCC1	ZINC001063189290	890273769	/nfs/dbraw/zinc/27/37/69/890273769.db2.gz	UYWYCSBAKOWDPZ-WMZOPIPTSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1CN(CC(=O)N2CCCC[C@@H]2C)C[C@H]1OC	ZINC001212340851	890455962	/nfs/dbraw/zinc/45/59/62/890455962.db2.gz	RJLCBCZWBDZUEB-GVDBMIGSSA-N	1	0	351.491	1.559	20	30		FDEDRO
Cc1cc(N[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c(C#N)cn1	ZINC001063408780	890513006	/nfs/dbraw/zinc/51/30/06/890513006.db2.gz	QRJOWVNHFXVQMN-VDHUWJSZSA-N	1	0	355.486	1.863	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]CCNC(=O)[C@H]2CCCO[C@H]2C(C)C)c1	ZINC001127628392	890662867	/nfs/dbraw/zinc/66/28/67/890662867.db2.gz	KWHBXVWVAMNSLO-ICSRJNTNSA-N	1	0	371.481	1.763	20	30		FDEDRO
C=C1CCC(C(=O)N2CC[C@H](N(C)C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)CC1	ZINC000939474005	890717683	/nfs/dbraw/zinc/71/76/83/890717683.db2.gz	FRRJNUSIRWRTLD-BPQIPLTHSA-N	1	0	363.502	1.511	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2ccccc2)C[C@H]1C	ZINC001106914651	890801067	/nfs/dbraw/zinc/80/10/67/890801067.db2.gz	XOBSFRURHKGKDT-ZHALLVOQSA-N	1	0	355.482	1.441	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc(OC)c2)C[C@H]1C	ZINC001106915511	890992471	/nfs/dbraw/zinc/99/24/71/890992471.db2.gz	ZQFIUZZQQBJBQG-BFYDXBDKSA-N	1	0	357.454	1.131	20	30		FDEDRO
C[NH+](C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C#N)c[nH]1)C2)C1CC1	ZINC001001887285	891563080	/nfs/dbraw/zinc/56/30/80/891563080.db2.gz	ACQDIOSUTIDIOT-JHNDHUHGSA-N	1	0	355.442	1.088	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C#N)c[nH]1)C2	ZINC001001891199	891571562	/nfs/dbraw/zinc/57/15/62/891571562.db2.gz	UENZRVUMFWTVFP-XYVMCAHJSA-N	1	0	369.469	1.621	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)Cc3occc3C)C2)CC1	ZINC000940004838	891613803	/nfs/dbraw/zinc/61/38/03/891613803.db2.gz	JRJKSBAJIUAZSC-SJLPKXTDSA-N	1	0	371.481	1.439	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C#N)[nH]1)C2	ZINC001002090452	891913043	/nfs/dbraw/zinc/91/30/43/891913043.db2.gz	MSBXHLZBODASED-NRSFXHEJSA-N	1	0	369.469	1.622	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1	ZINC000940298888	892211140	/nfs/dbraw/zinc/21/11/40/892211140.db2.gz	YVBIRJQEKRTKCW-SQGPQFPESA-N	1	0	367.493	1.515	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC)[C@H](C)C1	ZINC001106921139	892578365	/nfs/dbraw/zinc/57/83/65/892578365.db2.gz	WROXIQKGULILBX-VQIMIIECSA-N	1	0	355.482	1.373	20	30		FDEDRO
N#Cc1cc(F)ccc1CS(=O)(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1	ZINC000921911229	892797397	/nfs/dbraw/zinc/79/73/97/892797397.db2.gz	NLWIOJKODSFDPR-KRWDZBQOSA-N	1	0	367.446	1.370	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CNS(=O)(=O)CCCC)C[C@H]1C	ZINC001106927440	892976929	/nfs/dbraw/zinc/97/69/29/892976929.db2.gz	PCHYMUVLQCDPOS-HZPDHXFCSA-N	1	0	359.536	1.356	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000940756107	893144168	/nfs/dbraw/zinc/14/41/68/893144168.db2.gz	MJFQVEBMJVQGFR-ATZDWAIDSA-N	1	0	353.466	1.268	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2C[C@@H](OCC)C2(C)C)CC1	ZINC000672356273	893171754	/nfs/dbraw/zinc/17/17/54/893171754.db2.gz	RLSLVYGGLBTSMR-IAGOWNOFSA-N	1	0	365.518	1.805	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H](COC)C2)CC1	ZINC000672357274	893178155	/nfs/dbraw/zinc/17/81/55/893178155.db2.gz	UDVPUFYATJBNKE-MRXNPFEDSA-N	1	0	351.491	1.418	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1	ZINC000941200453	894096029	/nfs/dbraw/zinc/09/60/29/894096029.db2.gz	KUXMIGTUQRJAMD-KSZLIROESA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCN(C(=O)[C@@H](CC)[NH+](C)C)CC1	ZINC000941202869	894197100	/nfs/dbraw/zinc/19/71/00/894197100.db2.gz	VWBKTVDYIXFDFT-BBWFWOEESA-N	1	0	351.491	1.369	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cnc3ccccn3c2=O)[C@H](OC)C1	ZINC001212467334	894268623	/nfs/dbraw/zinc/26/86/23/894268623.db2.gz	WWVLJJYHJFQXAK-DJIMGWMZSA-N	1	0	370.453	1.478	20	30		FDEDRO
C=CCN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]3OCC[C@H]3C(C)C)CC2)C1=O	ZINC001002835948	894418409	/nfs/dbraw/zinc/41/84/09/894418409.db2.gz	QMZQHUYQDZYWTE-BZSNNMDCSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](CCCN2CCCC2=O)CC1	ZINC001002846302	894580910	/nfs/dbraw/zinc/58/09/10/894580910.db2.gz	GEIOMIJFXANQFS-MSOLQXFVSA-N	1	0	363.502	1.561	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(F)cc(F)c2)C[C@H]1C	ZINC001106954703	894701520	/nfs/dbraw/zinc/70/15/20/894701520.db2.gz	ITHFKIYAHLDNAN-VNHYZAJKSA-N	1	0	363.408	1.400	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCNC(=O)C4)[C@@H]3C2)c1	ZINC001084275574	913902850	/nfs/dbraw/zinc/90/28/50/913902850.db2.gz	AGWXDJMVQWELOP-RCCFBDPRSA-N	1	0	352.438	1.117	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cnnn3)cc2)C[C@H]1C	ZINC001106957181	894922248	/nfs/dbraw/zinc/92/22/48/894922248.db2.gz	SJZWWKQPPJOIHJ-IUODEOHRSA-N	1	0	360.849	1.713	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1	ZINC000995152341	895042339	/nfs/dbraw/zinc/04/23/39/895042339.db2.gz	PMXTYKHNZPKNRG-BZSNNMDCSA-N	1	0	363.502	1.415	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)C[C@H]1C	ZINC001106962891	896047118	/nfs/dbraw/zinc/04/71/18/896047118.db2.gz	ZHFZHCSGXZEEGD-OAGGEKHMSA-N	1	0	366.506	1.629	20	30		FDEDRO
N#CCOc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)cc1	ZINC001031980980	896052211	/nfs/dbraw/zinc/05/22/11/896052211.db2.gz	LPJXBRZBZSGZBR-SJORKVTESA-N	1	0	370.453	1.039	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1	ZINC000941994728	896116040	/nfs/dbraw/zinc/11/60/40/896116040.db2.gz	KVOSVFRXGPZVBR-ZACQAIPSSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@]2(CCOC2)C1)C(C)C	ZINC000671082037	896162257	/nfs/dbraw/zinc/16/22/57/896162257.db2.gz	MPCQZCBGKIONMR-YLJYHZDGSA-N	1	0	363.502	1.440	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@H](C)O[C@H](C)[C@H]1C)C(C)C	ZINC000671082098	896163557	/nfs/dbraw/zinc/16/35/57/896163557.db2.gz	WCGDYPNMICSWTB-BSDSXHPESA-N	1	0	365.518	1.826	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)C2)CC1	ZINC000942106366	896390769	/nfs/dbraw/zinc/39/07/69/896390769.db2.gz	ZRPNQVJLXXGFMB-ZGXWSNOMSA-N	1	0	371.525	1.875	20	30		FDEDRO
C#CCOc1ccc(CNc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1	ZINC000183910371	896780403	/nfs/dbraw/zinc/78/04/03/896780403.db2.gz	WKCMSFHZLFAKBB-UHFFFAOYSA-N	1	0	355.442	1.185	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H](Cc3ccccc3)C(N)=O)C2=O)cc1	ZINC000273468504	896820634	/nfs/dbraw/zinc/82/06/34/896820634.db2.gz	PPONBPIPHWAORV-RTBURBONSA-N	1	0	362.433	1.740	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCCC2=CCN(c3cncc(C#N)n3)CC2)CC[N@@H+]1C	ZINC001089866729	897214221	/nfs/dbraw/zinc/21/42/21/897214221.db2.gz	QQUWNTAZXYSYCM-ZWKOTPCHSA-N	1	0	368.485	1.721	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cn2c(C)csc2=O)C[C@H]1C	ZINC001106973335	897267797	/nfs/dbraw/zinc/26/77/97/897267797.db2.gz	NPPILKBMOSZYSS-UKRRQHHQSA-N	1	0	353.488	1.105	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1O	ZINC001077977626	897281460	/nfs/dbraw/zinc/28/14/60/897281460.db2.gz	HNEDHOWKLAKACA-HZPDHXFCSA-N	1	0	359.470	1.858	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COc2cc(C)cc(C)c2)C[C@H]1C	ZINC001106975451	897283854	/nfs/dbraw/zinc/28/38/54/897283854.db2.gz	QZQLXRSREKSFNP-QZTJIDSGSA-N	1	0	371.481	1.116	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1	ZINC000942553381	897336524	/nfs/dbraw/zinc/33/65/24/897336524.db2.gz	VSJNQZRYIIAAFC-GPMSIDNRSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCO)CC2(CCOCC2)C1	ZINC001089961619	897407979	/nfs/dbraw/zinc/40/79/79/897407979.db2.gz	LTVBULVAJUDADC-BZSNNMDCSA-N	1	0	366.502	1.337	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1COc2cc(OC)ccc2C1)C1CC[NH+](C)CC1	ZINC000921737604	897420957	/nfs/dbraw/zinc/42/09/57/897420957.db2.gz	IJRHAHJDCWMUHR-INIZCTEOSA-N	1	0	357.454	1.738	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000361927042	897482781	/nfs/dbraw/zinc/48/27/81/897482781.db2.gz	KQONJNRQFOUOGF-ZWKOTPCHSA-N	1	0	372.469	1.266	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cnc3n[nH]c(C)c3c2)C[C@H]1C	ZINC001106984204	897529904	/nfs/dbraw/zinc/52/99/04/897529904.db2.gz	CPOSQHUMTPEMRJ-CZUORRHYSA-N	1	0	357.458	1.767	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCC3CCOCC3)C[C@H]2O)nc1	ZINC001078030222	897666760	/nfs/dbraw/zinc/66/67/60/897666760.db2.gz	NOEYZIBFTGUBQJ-RTBURBONSA-N	1	0	357.454	1.045	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1O	ZINC001078082125	897907330	/nfs/dbraw/zinc/90/73/30/897907330.db2.gz	CYCVAMSTXCTPRY-GUDVDZBRSA-N	1	0	356.466	1.187	20	30		FDEDRO
C[N@@H+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2N(C(=O)c2c[nH]c(C#N)c2)CC3)C1	ZINC000995302897	898194330	/nfs/dbraw/zinc/19/43/30/898194330.db2.gz	PVTYJBAJIQKORT-JNAXZKDPSA-N	1	0	369.469	1.339	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cc(C)no2)C1	ZINC001078402593	898735315	/nfs/dbraw/zinc/73/53/15/898735315.db2.gz	SAPQHERUWVVTHS-KSZLIROESA-N	1	0	363.458	1.671	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[N@H+](C)CC(C)(C)C	ZINC001078481616	898826074	/nfs/dbraw/zinc/82/60/74/898826074.db2.gz	ZDLODKNRGNLCES-XHSDSOJGSA-N	1	0	353.507	1.566	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cnns2)C1	ZINC001078486644	898844494	/nfs/dbraw/zinc/84/44/94/898844494.db2.gz	ZXUVVPRILFDIIP-BPUTZDHNSA-N	1	0	366.487	1.226	20	30		FDEDRO
C#CCCCC(=O)N1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CC2	ZINC001060991452	898915314	/nfs/dbraw/zinc/91/53/14/898915314.db2.gz	LPTARRLSTGXBNQ-ZWKOTPCHSA-N	1	0	359.514	1.971	20	30		FDEDRO
Cn1nccc1CCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001084382232	914303924	/nfs/dbraw/zinc/30/39/24/914303924.db2.gz	VNBPWZORCIEDCC-UYAOXDASSA-N	1	0	363.465	1.957	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C)CC1	ZINC000921837127	898993098	/nfs/dbraw/zinc/99/30/98/898993098.db2.gz	CVWNAONZPLLOPP-AWEZNQCLSA-N	1	0	352.479	1.687	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)C2([NH+](C)C)CCC2)C1	ZINC000943547650	899004171	/nfs/dbraw/zinc/00/41/71/899004171.db2.gz	ONGNAYVHHXBIJC-ZACQAIPSSA-N	1	0	363.502	1.559	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NCC2CC[NH+](Cc3cccc(C#N)c3)CC2)O1	ZINC001001534261	899015044	/nfs/dbraw/zinc/01/50/44/899015044.db2.gz	VRKDHPPAXJKXMU-OXQOHEQNSA-N	1	0	370.497	1.606	20	30		FDEDRO
C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1	ZINC001001667767	899128894	/nfs/dbraw/zinc/12/88/94/899128894.db2.gz	ALCDMDWLULMRSV-MOPGFXCFSA-N	1	0	365.518	1.271	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CN(C(C)=O)c2ccccc2)C[C@H]1C	ZINC001107011917	899532684	/nfs/dbraw/zinc/53/26/84/899532684.db2.gz	DCRILPIDOWNMTB-IEBWSBKVSA-N	1	0	371.481	1.373	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC=C)c2ccccc2)C[C@H]1C	ZINC001107011938	899532797	/nfs/dbraw/zinc/53/27/97/899532797.db2.gz	DWMFGZSXZXLVOL-MISYRCLQSA-N	1	0	367.493	1.780	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)nc1	ZINC000944170322	899942356	/nfs/dbraw/zinc/94/23/56/899942356.db2.gz	QOIZEABOHHITAF-ZIFCJYIRSA-N	1	0	368.481	1.514	20	30		FDEDRO
CCS(=O)(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1	ZINC001107035705	899993630	/nfs/dbraw/zinc/99/36/30/899993630.db2.gz	VKTZNIMBOCSBDC-RHSMWYFYSA-N	1	0	363.483	1.177	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@H](C)CC)[C@H](C)C1	ZINC001107036860	900035132	/nfs/dbraw/zinc/03/51/32/900035132.db2.gz	TYIMDTPSZBWQNY-BZUAXINKSA-N	1	0	352.523	1.980	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)CCCC)C[C@H]1C	ZINC001107044592	900089214	/nfs/dbraw/zinc/08/92/14/900089214.db2.gz	INTFGXRSLHYVAD-TZMCWYRMSA-N	1	0	350.912	1.638	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCN2C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1	ZINC000944321535	900127327	/nfs/dbraw/zinc/12/73/27/900127327.db2.gz	RBCROOYUSMETJZ-MKXGPGLRSA-N	1	0	373.497	1.006	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2ccc(C)cc2)C[C@H]1C	ZINC001107048218	900129006	/nfs/dbraw/zinc/12/90/06/900129006.db2.gz	HQPOXFQYHPNELC-QWFCFKBJSA-N	1	0	369.509	1.607	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]2OC)cc1	ZINC000944346254	900144410	/nfs/dbraw/zinc/14/44/10/900144410.db2.gz	QVIRRCXVFRUWSY-GUDVDZBRSA-N	1	0	369.465	1.108	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C[C@H]1C	ZINC001107056921	900255284	/nfs/dbraw/zinc/25/52/84/900255284.db2.gz	CKXHSQWIVZVUQC-AQCKIFKESA-N	1	0	359.514	1.653	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]Cc2nc([C@@H](C)OC)no2)[C@H](C)C1	ZINC001107059084	900310008	/nfs/dbraw/zinc/31/00/08/900310008.db2.gz	QKWXLEQEGMMYEW-RBSFLKMASA-N	1	0	366.462	1.554	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cc(OC)ns2)[C@H](C)C1	ZINC001107063158	900448108	/nfs/dbraw/zinc/44/81/08/900448108.db2.gz	DEPOIWFKMQYRBS-HZSPNIEDSA-N	1	0	353.488	1.927	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cc(OC)ns2)[C@H](C)C1	ZINC001107063159	900448194	/nfs/dbraw/zinc/44/81/94/900448194.db2.gz	DEPOIWFKMQYRBS-MGPQQGTHSA-N	1	0	353.488	1.927	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccccc2N(C)C)C[C@H]1C	ZINC001107074958	900528753	/nfs/dbraw/zinc/52/87/53/900528753.db2.gz	NHERQQPGXKJKMA-IXDOHACOSA-N	1	0	370.497	1.188	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2CC(c3ccccc3)C2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001107075988	900533285	/nfs/dbraw/zinc/53/32/85/900533285.db2.gz	GNGKCDVJBWERSX-JYPHPWERSA-N	1	0	368.481	1.504	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(c3ccccc3C)CC2)C[C@H]1C	ZINC001107083586	900668896	/nfs/dbraw/zinc/66/88/96/900668896.db2.gz	HBPWYPDFVWWZEK-QZTJIDSGSA-N	1	0	367.493	1.460	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCCO2)C[C@H]1C	ZINC001107086096	900707515	/nfs/dbraw/zinc/70/75/15/900707515.db2.gz	OGSRWDPPCQPART-BRWVUGGUSA-N	1	0	351.491	1.322	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cccc(-n3ccnn3)c2)C[C@H]1C	ZINC001107092798	900845998	/nfs/dbraw/zinc/84/59/98/900845998.db2.gz	GMWMJEHOZMDAPY-SJLPKXTDSA-N	1	0	369.469	1.768	20	30		FDEDRO
C#CCN(CC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1)C1CC1	ZINC000763950028	900851144	/nfs/dbraw/zinc/85/11/44/900851144.db2.gz	IDGVRDAADGABDU-UHFFFAOYSA-N	1	0	355.482	1.827	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC(CCN(C)c3ccc(C#N)nn3)CC2)CC[N@@H+]1C	ZINC001063974560	901221223	/nfs/dbraw/zinc/22/12/23/901221223.db2.gz	KAAOSCUKPHTTGC-CRAIPNDOSA-N	1	0	370.501	1.753	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(C[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1=O	ZINC000348417489	901311220	/nfs/dbraw/zinc/31/12/20/901311220.db2.gz	LLJKGEMWNYMBKV-MSOLQXFVSA-N	1	0	357.454	1.674	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(Cc2ccccc2C[NH+]2CCC(O)CC2)C1=O	ZINC000348575328	901323040	/nfs/dbraw/zinc/32/30/40/901323040.db2.gz	AEOLIPNWTSRQHD-GOSISDBHSA-N	1	0	373.453	1.266	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccnc(C#N)n2)CC[N@@H+]1C	ZINC001064544018	901395847	/nfs/dbraw/zinc/39/58/47/901395847.db2.gz	ARKTVMCJBFURSH-LVQVYYBASA-N	1	0	354.458	1.258	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CCC1	ZINC001064549802	901402343	/nfs/dbraw/zinc/40/23/43/901402343.db2.gz	SOXGCQRLLMGCSU-ZACQAIPSSA-N	1	0	363.502	1.465	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC3(C2)CCN(c2nccnc2C#N)CC3)CC[N@@H+]1C	ZINC001064589644	901448561	/nfs/dbraw/zinc/44/85/61/901448561.db2.gz	PHOFAOJHEHWDSH-HZPDHXFCSA-N	1	0	368.485	1.507	20	30		FDEDRO
Cc1cc(N2C[C@@H]3CCN(C(=O)CCCn4ccnc4)[C@@H]3C2)c(C#N)cn1	ZINC001090319511	901667175	/nfs/dbraw/zinc/66/71/75/901667175.db2.gz	LDVDTDULGGPMSJ-QFBILLFUSA-N	1	0	364.453	1.976	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000945381707	901786625	/nfs/dbraw/zinc/78/66/25/901786625.db2.gz	NQRMCCLPMFEEEJ-KSZLIROESA-N	1	0	363.502	1.559	20	30		FDEDRO
CCc1nc(C#N)cc(NC[C@@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1	ZINC001065031591	901797562	/nfs/dbraw/zinc/79/75/62/901797562.db2.gz	UVKIWJCDVQMVEV-VNQPRFMTSA-N	1	0	356.474	1.654	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC2(C)CCN(c3nc(C)cc(C#N)n3)CC2)CC[N@@H+]1C	ZINC001065115853	901858485	/nfs/dbraw/zinc/85/84/85/901858485.db2.gz	UGKMIDGDMPCLMS-DLBZAZTESA-N	1	0	370.501	1.862	20	30		FDEDRO
Cn1cncc1[C@@H]1C[C@H]1C(=O)NC1(C)CCN(c2ncccc2C#N)CC1	ZINC001065108471	901865881	/nfs/dbraw/zinc/86/58/81/901865881.db2.gz	HWEKNOGNIPGJLJ-HZPDHXFCSA-N	1	0	364.453	1.966	20	30		FDEDRO
C[NH+]=C(NCC(=O)N1CCCc2ccccc21)N[C@H]1CCN(C2CC2)C1	ZINC000083141199	901879086	/nfs/dbraw/zinc/87/90/86/901879086.db2.gz	GMWUAWLYLUFZAQ-INIZCTEOSA-N	1	0	355.486	1.368	20	30		FDEDRO
CC#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C23CC[NH+](CC2)C3)C1	ZINC001079146389	901965562	/nfs/dbraw/zinc/96/55/62/901965562.db2.gz	IVWPPXUCNHCXJG-WOJBJXKFSA-N	1	0	367.493	1.179	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)CC[C@H]1c1ccc(F)cc1	ZINC001079153572	901989618	/nfs/dbraw/zinc/98/96/18/901989618.db2.gz	NWTNPFMQQAHSPO-NZSAHSFTSA-N	1	0	371.456	1.601	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[NH+](CCCCCNC(=O)[C@H]2CC[C@@H](C)O2)CC1	ZINC001079166857	902039393	/nfs/dbraw/zinc/03/93/93/902039393.db2.gz	DOJKXQNBLYTCBR-GVDBMIGSSA-N	1	0	364.490	1.144	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@H]1c1cccc(F)c1	ZINC001079172669	902051435	/nfs/dbraw/zinc/05/14/35/902051435.db2.gz	NAKJLTNCLBGODU-BBWFWOEESA-N	1	0	368.836	1.878	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)CC[C@H]1c1ccc(F)cc1	ZINC001079156837	902075027	/nfs/dbraw/zinc/07/50/27/902075027.db2.gz	KQDBFXWDOGMXCM-BBWFWOEESA-N	1	0	360.433	1.309	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)CC[C@H]1c1ccc(F)cc1	ZINC001079157002	902076300	/nfs/dbraw/zinc/07/63/00/902076300.db2.gz	TVBWPBBOYGTJLG-RCCFBDPRSA-N	1	0	359.445	1.764	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCC)C2)C[C@H]1c1cccc(F)c1	ZINC001079200617	902100777	/nfs/dbraw/zinc/10/07/77/902100777.db2.gz	BEBZWVXNFWOFSI-YTQUADARSA-N	1	0	371.456	1.601	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cn2ccc(C)cc2=O)C[C@H]1c1cccc(F)c1	ZINC001079201957	902101763	/nfs/dbraw/zinc/10/17/63/902101763.db2.gz	LFQAJBFUUMXUCC-RBUKOAKNSA-N	1	0	367.424	1.513	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cncc(C(N)=O)c2)C[C@H]1c1cccc(F)c1	ZINC001079210830	902119322	/nfs/dbraw/zinc/11/93/22/902119322.db2.gz	DBKKGZQEQYTCER-ZWKOTPCHSA-N	1	0	366.396	1.151	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C2CCC(C(N)=O)CC2)C[C@H]1c1cccc(F)c1	ZINC001079189505	902141197	/nfs/dbraw/zinc/14/11/97/902141197.db2.gz	RNEFGIXIGOVVPY-QIRNKGDASA-N	1	0	371.456	1.635	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1c1cccc(F)c1	ZINC001079190215	902143219	/nfs/dbraw/zinc/14/32/19/902143219.db2.gz	GPWRBPYUACBXOI-LSDHHAIUSA-N	1	0	355.369	1.349	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1c1cccc(F)c1	ZINC001079197349	902162187	/nfs/dbraw/zinc/16/21/87/902162187.db2.gz	DMGWHIDMKBYJCU-QKLQHJQFSA-N	1	0	359.445	1.955	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3oc(C)nc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079231680	902166888	/nfs/dbraw/zinc/16/68/88/902166888.db2.gz	WSQJMGAFXBKMQO-DLBZAZTESA-N	1	0	357.454	1.868	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3cccc(=O)[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079233319	902168452	/nfs/dbraw/zinc/16/84/52/902168452.db2.gz	NNHFYVUDQDEQIJ-DOTOQJQBSA-N	1	0	357.454	1.916	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)C[C@@H]3COC(=O)C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079235810	902175842	/nfs/dbraw/zinc/17/58/42/902175842.db2.gz	SBPMJELORJOLIM-YESZJQIVSA-N	1	0	362.470	1.455	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cc(OC)no3)[C@@H]3COC[C@@H]32)CC1	ZINC001079237010	902177364	/nfs/dbraw/zinc/17/73/64/902177364.db2.gz	JEGUORKXGJEMGV-LSDHHAIUSA-N	1	0	359.426	1.260	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cc(C)ncn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079237252	902178837	/nfs/dbraw/zinc/17/88/37/902178837.db2.gz	WPNBUQZZLRDHET-FUHWJXTLSA-N	1	0	354.454	1.361	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3ccncc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079237982	902179045	/nfs/dbraw/zinc/17/90/45/902179045.db2.gz	AVSJARFMCZRLSE-RBUKOAKNSA-N	1	0	353.466	1.966	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)CCc3ncc[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079239184	902183898	/nfs/dbraw/zinc/18/38/98/902183898.db2.gz	HJDRWMHVZFDMGP-DLBZAZTESA-N	1	0	358.486	1.858	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCc4n[nH]cc43)[C@@H]3COC[C@@H]32)CC1	ZINC001079241861	902193524	/nfs/dbraw/zinc/19/35/24/902193524.db2.gz	GNPVPZKWJJKWSI-HHXXYDBFSA-N	1	0	368.481	1.402	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)Cn3cccc(C)c3=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079242009	902195099	/nfs/dbraw/zinc/19/50/99/902195099.db2.gz	NIOBCNLNOPYBNX-ZWKOTPCHSA-N	1	0	371.481	1.282	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cc(C)nn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079227076	902238427	/nfs/dbraw/zinc/23/84/27/902238427.db2.gz	AWTAFESMICEOPY-FUHWJXTLSA-N	1	0	356.470	1.305	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC2(CC[NH+](Cc3cncn3C)CC2)[C@H]2COC[C@H]21	ZINC001079228462	902243915	/nfs/dbraw/zinc/24/39/15/902243915.db2.gz	NJYUSAMBRFHTTJ-HYVNUMGLSA-N	1	0	357.458	1.019	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cnn4ccncc34)[C@@H]3COC[C@@H]32)CC1	ZINC001079246021	902257005	/nfs/dbraw/zinc/25/70/05/902257005.db2.gz	PDGJISVHSQATEK-FUHWJXTLSA-N	1	0	367.453	1.468	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)Cc3cnccc3OC)[C@@H]3COC[C@@H]32)CC1	ZINC001079247307	902261289	/nfs/dbraw/zinc/26/12/89/902261289.db2.gz	XASXALKKCGVIQA-ZWKOTPCHSA-N	1	0	371.481	1.758	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3ccn(C)c(=O)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079248172	902263215	/nfs/dbraw/zinc/26/32/15/902263215.db2.gz	KWDKZNUNEPDMHD-ZWKOTPCHSA-N	1	0	371.481	1.514	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCc4cncn4C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079248339	902264091	/nfs/dbraw/zinc/26/40/91/902264091.db2.gz	UUFHHVXRULLJAJ-NZSAHSFTSA-N	1	0	370.497	1.571	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)C[C@@H](C)n3ccc(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079254117	902278716	/nfs/dbraw/zinc/27/87/16/902278716.db2.gz	MLTVRLOVVYFWAX-CEXWTWQISA-N	1	0	370.497	1.715	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N2CC3(CCN(CC#N)CC3)[C@H]3COC[C@H]32)CC1	ZINC001079263425	902304926	/nfs/dbraw/zinc/30/49/26/902304926.db2.gz	TWTPTFPWJIKYDI-ZWKOTPCHSA-N	1	0	360.502	1.181	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cn(CC)nc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079263630	902306732	/nfs/dbraw/zinc/30/67/32/902306732.db2.gz	DKYSLUZWVKSULP-ZWKOTPCHSA-N	1	0	356.470	1.398	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3nc(C)oc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079268069	902319916	/nfs/dbraw/zinc/31/99/16/902319916.db2.gz	LAWSKSJYKNLZPZ-DLBZAZTESA-N	1	0	357.454	1.868	20	30		FDEDRO
CC1CC[NH+](CC(=O)N2CC3(CCN(CC#N)CC3)[C@H]3COC[C@H]32)CC1	ZINC001079268292	902320938	/nfs/dbraw/zinc/32/09/38/902320938.db2.gz	WLKJKVPQASNJSB-ZWKOTPCHSA-N	1	0	360.502	1.181	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H](C)Oc3ccccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079270102	902326990	/nfs/dbraw/zinc/32/69/90/902326990.db2.gz	AMMYTBMNUQSENG-FGTMMUONSA-N	1	0	369.465	1.422	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)Cc3c(C)n[nH]c3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079272350	902335323	/nfs/dbraw/zinc/33/53/23/902335323.db2.gz	KCMTVLRILYIJKY-ZWKOTPCHSA-N	1	0	356.470	1.142	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCc4cn[nH]c43)[C@@H]3COC[C@@H]32)CC1	ZINC001079242475	902337554	/nfs/dbraw/zinc/33/75/54/902337554.db2.gz	ZAYUXTQFNWIGDA-OKZBNKHCSA-N	1	0	368.481	1.402	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)[C@H](C)c3ccnn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079242968	902338759	/nfs/dbraw/zinc/33/87/59/902338759.db2.gz	CPDACWKZKLYLOT-ZIFCJYIRSA-N	1	0	370.497	1.486	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)CO[C@H]3CCOC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079242547	902339092	/nfs/dbraw/zinc/33/90/92/902339092.db2.gz	ZQRVOMJHWTYSNP-OKZBNKHCSA-N	1	0	364.486	1.307	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cncc4nc[nH]c43)[C@@H]3COC[C@@H]32)CC1	ZINC001079243318	902341995	/nfs/dbraw/zinc/34/19/95/902341995.db2.gz	YLGGQZCZDZPTOX-DOTOQJQBSA-N	1	0	367.453	1.697	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nc(C)c(C)[nH]c2=O)C[C@H]1c1ccccc1F	ZINC001079299344	902343212	/nfs/dbraw/zinc/34/32/12/902343212.db2.gz	KUEUISGASFCQRR-DOTOQJQBSA-N	1	0	368.412	1.357	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCNC(=O)C2)C[C@H]1c1ccccc1F	ZINC001079300524	902346378	/nfs/dbraw/zinc/34/63/78/902346378.db2.gz	MOTOJFFBWKVGMM-VPWXQRGCSA-N	1	0	359.445	1.812	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCCC(=O)N2)C[C@H]1c1ccccc1F	ZINC001079301561	902348684	/nfs/dbraw/zinc/34/86/84/902348684.db2.gz	CVBUWTODPYOAHV-UWWQBHOKSA-N	1	0	357.429	1.402	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCc4c[nH]nc4C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079274141	902355373	/nfs/dbraw/zinc/35/53/73/902355373.db2.gz	JDMKYQYQKFXMES-HHXXYDBFSA-N	1	0	370.497	1.640	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@H](C)C3CCOCC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079276351	902360333	/nfs/dbraw/zinc/36/03/33/902360333.db2.gz	GJUGQVFLQQGAAB-NZSAHSFTSA-N	1	0	360.498	1.622	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCN2CCCC2=O)C(C)(C)C1	ZINC000995835461	902366605	/nfs/dbraw/zinc/36/66/05/902366605.db2.gz	XODINVZUHITEAU-IXDOHACOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCNC(=O)CC2)C[C@H]1c1ccccc1F	ZINC001079303856	902374331	/nfs/dbraw/zinc/37/43/31/902374331.db2.gz	DQCHUFIPERLZOV-UWWQBHOKSA-N	1	0	359.445	1.812	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1c1ccccc1F	ZINC001079289282	902389136	/nfs/dbraw/zinc/38/91/36/902389136.db2.gz	XPRBNNJXSLTPRX-GOEBONIOSA-N	1	0	355.417	1.972	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@]34C[C@H]3COC4)CC2(C)C)cc1C#N	ZINC000995843192	902392637	/nfs/dbraw/zinc/39/26/37/902392637.db2.gz	VLFLXHWERRKFFJ-CDXJDZJCSA-N	1	0	369.465	1.930	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nc3ncccn3n2)C[C@H]1c1ccccc1F	ZINC001079316029	902411839	/nfs/dbraw/zinc/41/18/39/902411839.db2.gz	SMMBAVVASLMQTK-GOEBONIOSA-N	1	0	364.384	1.094	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)N2CCCC2=O)C[C@H]1c1ccccc1F	ZINC001079318383	902417479	/nfs/dbraw/zinc/41/74/79/902417479.db2.gz	ALQILNHVENITQE-VDZJLULYSA-N	1	0	371.456	1.744	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1c1ccccc1F	ZINC001079322591	902426147	/nfs/dbraw/zinc/42/61/47/902426147.db2.gz	XKDAITAVZUJZJE-GOEBONIOSA-N	1	0	358.417	1.247	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1c1ccccc1F	ZINC001079312344	902449276	/nfs/dbraw/zinc/44/92/76/902449276.db2.gz	SGUMELAHZIDDLD-YQYZPQCESA-N	1	0	357.429	1.245	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC001079543658	902777711	/nfs/dbraw/zinc/77/77/11/902777711.db2.gz	MORNCRIDIXXJFK-CXAGYDPISA-N	1	0	366.421	1.908	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C#N)c[nH]1)C2	ZINC000996011342	902894335	/nfs/dbraw/zinc/89/43/35/902894335.db2.gz	XRPVBJUTUPBJHD-MXSMSXNCSA-N	1	0	369.469	1.622	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H]2COc3ccccc3O2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC001079601092	902899316	/nfs/dbraw/zinc/89/93/16/902899316.db2.gz	IDYLEJGGAYZSGT-XOKHGSTOSA-N	1	0	366.421	1.776	20	30		FDEDRO
COCCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)nn1	ZINC001079686149	903027329	/nfs/dbraw/zinc/02/73/29/903027329.db2.gz	REBLNWAWQNZXKQ-RHSMWYFYSA-N	1	0	368.441	1.046	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(C#N)[nH]2)C3)C1	ZINC000996110112	903114145	/nfs/dbraw/zinc/11/41/45/903114145.db2.gz	UXWATIPDCLXKKA-IRWJRLHMSA-N	1	0	355.442	1.090	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1C	ZINC001079720922	903136317	/nfs/dbraw/zinc/13/63/17/903136317.db2.gz	BLIMUKZXZYIPRX-AXUOBQJMSA-N	1	0	371.481	1.703	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(C#N)c1)C2	ZINC000996122175	903151600	/nfs/dbraw/zinc/15/16/00/903151600.db2.gz	LGRDPZBNHYFRMH-BDXSIMOUSA-N	1	0	369.469	1.622	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c[nH]c(C#N)c2)C3)CC1	ZINC000996124157	903156203	/nfs/dbraw/zinc/15/62/03/903156203.db2.gz	XXFAUTRBCNGULD-SQNIBIBYSA-N	1	0	369.469	1.480	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1C	ZINC001079855839	903522380	/nfs/dbraw/zinc/52/23/80/903522380.db2.gz	UQPCLMYSMJSGJB-BZUAXINKSA-N	1	0	354.458	1.503	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@H](C2CC2)[NH+](C)C)C1	ZINC001079947080	903742359	/nfs/dbraw/zinc/74/23/59/903742359.db2.gz	LYTNHCAJBDGXQR-SQNIBIBYSA-N	1	0	363.502	1.367	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3cnc4ccc(OC)nn43)[C@@H]2C1	ZINC001084462620	914746287	/nfs/dbraw/zinc/74/62/87/914746287.db2.gz	WDOBYTMFWPFWGZ-GDBMZVCRSA-N	1	0	355.442	1.850	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cc(OC)no2)C(C)(C)C1	ZINC000996405851	903867724	/nfs/dbraw/zinc/86/77/24/903867724.db2.gz	IYEDVMJPAYZTND-UXLLHSPISA-N	1	0	363.458	1.991	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000764183432	903930500	/nfs/dbraw/zinc/93/05/00/903930500.db2.gz	IWRATZFJLIAKTP-UHFFFAOYSA-N	1	0	365.499	1.595	20	30		FDEDRO
C=CCC[C@H](C)[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCO[C@H]3C=C)nn2)C1	ZINC001107212096	903956161	/nfs/dbraw/zinc/95/61/61/903956161.db2.gz	NUQZYUXQWKHTAD-QGTPRVQTSA-N	1	0	359.474	1.697	20	30		FDEDRO
Cc1ccsc1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107264241	904210396	/nfs/dbraw/zinc/21/03/96/904210396.db2.gz	XLBWOTCRAZCHLA-RDTXWAMCSA-N	1	0	360.483	1.671	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3ccco3)CCC[C@@H]12	ZINC001107274494	904294491	/nfs/dbraw/zinc/29/44/91/904294491.db2.gz	XHKXLDKEXHHBRI-YLJYHZDGSA-N	1	0	359.470	1.875	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@]3(CNC(=O)Cn4cccn4)CCC[C@@H]23)C1=O	ZINC001107281700	904315002	/nfs/dbraw/zinc/31/50/02/904315002.db2.gz	LZESXYIQUDUIDB-SQGPQFPESA-N	1	0	371.485	1.031	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)N2CCCCC2)CC1	ZINC000996602139	904323545	/nfs/dbraw/zinc/32/35/45/904323545.db2.gz	XWMCAXAOKOVAHK-MSOLQXFVSA-N	1	0	363.502	1.561	20	30		FDEDRO
Cn1nccc1CC[N@@H+]1CC[C@@]2(CNC(=O)CSCC#N)CCC[C@@H]12	ZINC001107290917	904328260	/nfs/dbraw/zinc/32/82/60/904328260.db2.gz	CKPFWTCVRGYDOR-SJLPKXTDSA-N	1	0	361.515	1.580	20	30		FDEDRO
O=C(NCC[NH2+]CC#Cc1ccc(C(F)(F)F)cc1)[C@]12C[C@H]1COC2	ZINC001127748070	904328760	/nfs/dbraw/zinc/32/87/60/904328760.db2.gz	NOOUGHDJCVNAOX-RDJZCZTQSA-N	1	0	352.356	1.799	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1	ZINC000764327068	904334175	/nfs/dbraw/zinc/33/41/75/904334175.db2.gz	PMDJNAXGNBJNNK-UHFFFAOYSA-N	1	0	367.409	1.998	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)OCC(C)C)CCC[C@@H]12	ZINC001107310569	904411394	/nfs/dbraw/zinc/41/13/94/904411394.db2.gz	BHUVZUBZCCWODT-MBOZVWFJSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccc(C(N)=O)c1)CC2	ZINC001107330769	904462863	/nfs/dbraw/zinc/46/28/63/904462863.db2.gz	NJKUWMZOFBAGFY-WIYYLYMNSA-N	1	0	371.481	1.849	20	30		FDEDRO
C=C(Br)CNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000764360973	904478997	/nfs/dbraw/zinc/47/89/97/904478997.db2.gz	IUMPPUKRPQJKAA-OCCSQVGLSA-N	1	0	359.312	1.562	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CC3CCOCC3)CCC[C@@H]12	ZINC001107339978	904520169	/nfs/dbraw/zinc/52/01/69/904520169.db2.gz	IGXSYVSTGJGEPF-YLJYHZDGSA-N	1	0	363.502	1.466	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCC(F)(F)F)CCC[C@@H]12	ZINC001107347803	904547050	/nfs/dbraw/zinc/54/70/50/904547050.db2.gz	DKAXQMMWPFWRKY-CZUORRHYSA-N	1	0	361.408	1.992	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C#N)[nH]3)CCC[C@@H]12	ZINC001107363627	904562721	/nfs/dbraw/zinc/56/27/21/904562721.db2.gz	JWSIAFLPRGEACT-VQIMIIECSA-N	1	0	355.442	1.163	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)NCc1ccccc1CS(=O)(=O)NC(C)C	ZINC000764441530	904674662	/nfs/dbraw/zinc/67/46/62/904674662.db2.gz	IQYGKXAITQRLJB-UHFFFAOYSA-N	1	0	353.488	1.248	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cncc4[nH]cnc43)CCC[C@@H]12	ZINC001107413674	904817626	/nfs/dbraw/zinc/81/76/26/904817626.db2.gz	KSDQAAVFANEKPK-YLJYHZDGSA-N	1	0	367.453	1.582	20	30		FDEDRO
C#CCC1(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCn2cncn2)CC3)CCC1	ZINC001107434519	904892343	/nfs/dbraw/zinc/89/23/43/904892343.db2.gz	XHUMFUDPNJFHJX-YLJYHZDGSA-N	1	0	355.486	1.833	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)CCc3c(C)nc(=O)[nH]c3C)CCC[C@@H]12	ZINC001107436128	904900051	/nfs/dbraw/zinc/90/00/51/904900051.db2.gz	NKGWKGOROBDIRT-YLJYHZDGSA-N	1	0	356.470	1.726	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@]3(CC)CCNC3=O)CCC[C@@H]12	ZINC001107441059	904926580	/nfs/dbraw/zinc/92/65/80/904926580.db2.gz	JOJTYKFRHVNFQA-NSISKUIASA-N	1	0	363.502	1.466	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3[nH]c(C)cc3C)CCC[C@@H]12	ZINC001107450833	904986918	/nfs/dbraw/zinc/98/69/18/904986918.db2.gz	NYEUMZXAVNIKBK-OXQOHEQNSA-N	1	0	358.486	1.908	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc(=O)[nH]c3ncn(C)c32)[C@H](OC)C1	ZINC001081786679	904999043	/nfs/dbraw/zinc/99/90/43/904999043.db2.gz	HTPKCPGUZXFBGT-ZIAGYGMSSA-N	1	0	359.430	1.069	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CCS(=O)(=O)C3)CCC[C@@H]12	ZINC001107464981	905030911	/nfs/dbraw/zinc/03/09/11/905030911.db2.gz	CEMMFRGVOSBVRX-JFIYKMOQSA-N	1	0	354.516	1.748	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@]1(C)CCC(=O)NC1	ZINC001080304380	905104786	/nfs/dbraw/zinc/10/47/86/905104786.db2.gz	HRXXKRPTOGYNEF-ZTQAJYAQSA-N	1	0	354.454	1.411	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)CCn3ncn(C)c3=O)CCC[C@@H]12	ZINC001107486342	905165744	/nfs/dbraw/zinc/16/57/44/905165744.db2.gz	BGYHNCKJVSHLGR-RHSMWYFYSA-N	1	0	367.881	1.085	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc(OC)ccn3)CCC[C@@H]12	ZINC001107494490	905191969	/nfs/dbraw/zinc/19/19/69/905191969.db2.gz	KXACSNVRGBLNPB-UYAOXDASSA-N	1	0	357.454	1.714	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](C[C@H](O)COC)CC3)cc1	ZINC001107494750	905195770	/nfs/dbraw/zinc/19/57/70/905195770.db2.gz	XWVPYJUYAYWQAZ-QKNQBKEWSA-N	1	0	356.466	1.650	20	30		FDEDRO
C=CC(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(=O)NC)CC2	ZINC001107503146	905259016	/nfs/dbraw/zinc/25/90/16/905259016.db2.gz	UOJCEMNHSQIZRX-FZKQIMNGSA-N	1	0	350.463	1.015	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1CCCc2nn[nH]c21	ZINC001080346103	905260383	/nfs/dbraw/zinc/26/03/83/905260383.db2.gz	MYTWAXKDLCCYNN-MZMPZRCHSA-N	1	0	364.453	1.733	20	30		FDEDRO
CCn1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)c1C	ZINC001107513082	905277272	/nfs/dbraw/zinc/27/72/72/905277272.db2.gz	PYNNVBAXIHRELH-YLJYHZDGSA-N	1	0	371.485	1.431	20	30		FDEDRO
C=CCN1CC[NH+](C2CCC(NC(=O)[C@H]3OCCO[C@H]3C)CC2)CC1	ZINC000996776417	905301148	/nfs/dbraw/zinc/30/11/48/905301148.db2.gz	MVDZYXOPHXYLPR-BFWZDYSYSA-N	1	0	351.491	1.021	20	30		FDEDRO
C#CCN1CC[NH+](C2CCC(NC(=O)[C@H]3OCC[C@H]3C(C)C)CC2)CC1	ZINC000996777218	905305140	/nfs/dbraw/zinc/30/51/40/905305140.db2.gz	VAGQVBLLLICOQH-GUMHCPJTSA-N	1	0	361.530	1.726	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCN1CCNC1=O)CC2	ZINC001107514426	905307271	/nfs/dbraw/zinc/30/72/71/905307271.db2.gz	GIWBRHLTZICKHA-SQGPQFPESA-N	1	0	362.518	1.975	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4n3CCCC4)CCC[C@@H]12	ZINC001107514800	905310418	/nfs/dbraw/zinc/31/04/18/905310418.db2.gz	XASSOMCHPTWRGI-WIYYLYMNSA-N	1	0	370.497	1.844	20	30		FDEDRO
C=C[C@H](CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCNS(C)(=O)=O)CC2	ZINC001107515021	905311905	/nfs/dbraw/zinc/31/19/05/905311905.db2.gz	HPNHHWMOQQCPCR-JFIYKMOQSA-N	1	0	371.547	1.499	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]2C)c1	ZINC001080412136	905378668	/nfs/dbraw/zinc/37/86/68/905378668.db2.gz	FHNNTSCYVMVTCQ-CRAIPNDOSA-N	1	0	354.454	1.126	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3occc3Cl)CCC[C@@H]12	ZINC001107533875	905403889	/nfs/dbraw/zinc/40/38/89/905403889.db2.gz	KTVVJBKXSHQQHN-CXAGYDPISA-N	1	0	364.833	1.547	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1ccc(C(N)=O)[nH]1	ZINC001080452709	905414689	/nfs/dbraw/zinc/41/46/89/905414689.db2.gz	ZRONQDPBYLWZLM-SJKOYZFVSA-N	1	0	351.410	1.236	20	30		FDEDRO
COc1ccc(CN2C[C@@H](C)[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)cc1C#N	ZINC001080447028	905451877	/nfs/dbraw/zinc/45/18/77/905451877.db2.gz	VAJQXKFRLNXAKV-FRQCXROJSA-N	1	0	370.497	1.845	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCCC(=O)N3)CCC[C@@H]12	ZINC001107543732	905471183	/nfs/dbraw/zinc/47/11/83/905471183.db2.gz	WEDZXQSVFDYJRJ-SQGPQFPESA-N	1	0	361.486	1.056	20	30		FDEDRO
C=CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3C[C@H]3c3ccnn3C)CC2)CC1	ZINC000996782269	905490507	/nfs/dbraw/zinc/49/05/07/905490507.db2.gz	KNWKIFGOJUKFDX-CSODTCANSA-N	1	0	371.529	1.755	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)NS(C)(=O)=O)CCC[C@@H]12	ZINC001107559055	905613311	/nfs/dbraw/zinc/61/33/11/905613311.db2.gz	XMGQDESMFHLDBG-ZMSDIMECSA-N	1	0	357.520	1.251	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](NC(=O)COC)C(C)C)CCC[C@@H]12	ZINC001107570861	905647561	/nfs/dbraw/zinc/64/75/61/905647561.db2.gz	GGKRPGMZLAQTBT-IMFGXOCKSA-N	1	0	363.502	1.158	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOC)CC2	ZINC001107569903	905692052	/nfs/dbraw/zinc/69/20/52/905692052.db2.gz	PHNKGNDWRRWYKT-ZHALLVOQSA-N	1	0	351.491	1.465	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3C3CCC3)CCC[C@@H]12	ZINC001107572802	905709775	/nfs/dbraw/zinc/70/97/75/905709775.db2.gz	TYCSULYEKJQSNF-TVKQPGBESA-N	1	0	358.486	1.423	20	30		FDEDRO
CC(C)c1nnnn1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C	ZINC001080581551	905740081	/nfs/dbraw/zinc/74/00/81/905740081.db2.gz	VQMRCTRTKRLECQ-RHSMWYFYSA-N	1	0	367.457	1.305	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1NC(=O)C1CC[NH+](C)CC1	ZINC001082095997	905760407	/nfs/dbraw/zinc/76/04/07/905760407.db2.gz	SRCVFEJCSYVROL-RTBURBONSA-N	1	0	356.470	1.215	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)Cc3ccco3)CCC[C@@H]12	ZINC001107577988	905772751	/nfs/dbraw/zinc/77/27/51/905772751.db2.gz	ZEXVXLOHCOEKQP-HGHGUNKESA-N	1	0	371.481	1.568	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]2OC)CC1	ZINC001082101399	905776907	/nfs/dbraw/zinc/77/69/07/905776907.db2.gz	UNOLGHHHYCOODD-KBAYOESNSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1C	ZINC001080599261	905819368	/nfs/dbraw/zinc/81/93/68/905819368.db2.gz	YUYJTKACVPYUOQ-RNJTYBCJSA-N	1	0	361.490	1.313	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC34CCCC4)CCC[C@@H]12	ZINC001107596382	905855700	/nfs/dbraw/zinc/85/57/00/905855700.db2.gz	CPVMLQNXJLASEL-RZQQEMMASA-N	1	0	358.486	1.567	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cnn(C(C)C)c3)CCC[C@@H]12	ZINC001107606279	905919037	/nfs/dbraw/zinc/91/90/37/905919037.db2.gz	UHHOUFLWGXDXDJ-YLJYHZDGSA-N	1	0	371.485	1.188	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cn(CC)cn3)CCC[C@@H]12	ZINC001107608579	905956195	/nfs/dbraw/zinc/95/61/95/905956195.db2.gz	ZPVSVLOQCCPHOY-VQIMIIECSA-N	1	0	359.474	1.180	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)Cn4cncn4)CCC[C@@H]23)s1	ZINC001107627226	906087565	/nfs/dbraw/zinc/08/75/65/906087565.db2.gz	KPTXJUIBONKTDH-SJLPKXTDSA-N	1	0	370.482	1.772	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)c3ccccc3C)CCC[C@@H]12	ZINC001107627516	906091528	/nfs/dbraw/zinc/09/15/28/906091528.db2.gz	VSZZYISDSSLCSO-WIYYLYMNSA-N	1	0	353.466	1.719	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3CCC=CCC3)CCC[C@@H]12	ZINC001107632911	906150762	/nfs/dbraw/zinc/15/07/62/906150762.db2.gz	DVYOCKRNGYUJLX-YLJYHZDGSA-N	1	0	358.486	1.733	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC	ZINC001082197224	906164988	/nfs/dbraw/zinc/16/49/88/906164988.db2.gz	XMQSCAGAXUWDIF-LNLFQRSKSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@]3(CNC(=O)Cc4ccc[nH]4)CCC[C@@H]23)C1=O	ZINC001107639654	906191582	/nfs/dbraw/zinc/19/15/82/906191582.db2.gz	BBQHXBGAWWLFNZ-DBXWQHBBSA-N	1	0	370.497	1.705	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC(C)C)CC2	ZINC001107651210	906231116	/nfs/dbraw/zinc/23/11/16/906231116.db2.gz	UPBNTSCTSQEJCN-SQGPQFPESA-N	1	0	365.518	1.711	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)CS(C)(=O)=O)CCC[C@@H]12	ZINC001107647610	906272430	/nfs/dbraw/zinc/27/24/30/906272430.db2.gz	RLEXVKVMECCFJR-LZLYRXPVSA-N	1	0	356.532	1.994	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3ccc(C(N)=O)cc3)CCC[C@@H]12	ZINC001107648748	906279324	/nfs/dbraw/zinc/27/93/24/906279324.db2.gz	RFLWERUTMWFRFZ-WIYYLYMNSA-N	1	0	353.466	1.712	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1C	ZINC001080805127	906284486	/nfs/dbraw/zinc/28/44/86/906284486.db2.gz	CANRYDCMEMWLJP-JFIYKMOQSA-N	1	0	357.454	1.570	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCc3ccc(C)cc3)C[C@H]2OC)nn1	ZINC001082212968	906295520	/nfs/dbraw/zinc/29/55/20/906295520.db2.gz	ILWNFRFCNGKPLK-IEBWSBKVSA-N	1	0	369.469	1.444	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCc4ccccc43)C[C@H]2OC)nn1	ZINC001082212633	906296763	/nfs/dbraw/zinc/29/67/63/906296763.db2.gz	AWBFBQHADRJVBO-BHIYHBOVSA-N	1	0	367.453	1.581	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(CC)c3)C[C@H]2OC)nn1	ZINC001082213144	906297840	/nfs/dbraw/zinc/29/78/40/906297840.db2.gz	NJCMUKWQKRJAFO-IEBWSBKVSA-N	1	0	369.469	1.656	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCN(c2cccc(CNC(=O)[C@H]3OCC[C@H]3CC)n2)C1	ZINC001127840352	906614728	/nfs/dbraw/zinc/61/47/28/906614728.db2.gz	XNHWXFCIAAVRGX-POAQFYNOSA-N	1	0	370.497	1.705	20	30		FDEDRO
COc1ccc(C#N)cc1CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1	ZINC001080935478	906726592	/nfs/dbraw/zinc/72/65/92/906726592.db2.gz	WMWNBGCITJBXCU-QGPMSJSTSA-N	1	0	356.470	1.455	20	30		FDEDRO
CCN1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)C1	ZINC001080979358	906846231	/nfs/dbraw/zinc/84/62/31/906846231.db2.gz	MJYCNYCXAQSNQL-ATZDWAIDSA-N	1	0	356.470	1.215	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(COC)cc2)C[C@H]1O	ZINC001077694205	906877592	/nfs/dbraw/zinc/87/75/92/906877592.db2.gz	IREODDWWQICARX-MKXGPGLRSA-N	1	0	360.454	1.085	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001082326461	906907044	/nfs/dbraw/zinc/90/70/44/906907044.db2.gz	DXJYPGXCDLXIKH-KFKAGJAMSA-N	1	0	356.470	1.215	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCN(c2cccc(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)n2)C1	ZINC001127852823	906911827	/nfs/dbraw/zinc/91/18/27/906911827.db2.gz	XXKUANCYZVVBSB-MKXGPGLRSA-N	1	0	368.481	1.457	20	30		FDEDRO
N#Cc1cccc(C[NH2+]C2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)c1	ZINC000997011885	906927898	/nfs/dbraw/zinc/92/78/98/906927898.db2.gz	QVIMEAVHJLAJIA-SJORKVTESA-N	1	0	354.454	1.540	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]2C)cc1	ZINC001081011359	906942838	/nfs/dbraw/zinc/94/28/38/906942838.db2.gz	WIHXOOFDLRTSEK-LZQZEXGQSA-N	1	0	371.481	1.461	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCS(=O)(=O)C1)C2	ZINC001112539329	906986960	/nfs/dbraw/zinc/98/69/60/906986960.db2.gz	UYLITVJQKORNRQ-RYRKJORJSA-N	1	0	352.500	1.053	20	30		FDEDRO
COC(=O)CCC[NH+]1CCC(=NNC(=S)NCC(F)(F)F)CC1	ZINC000727061788	907120762	/nfs/dbraw/zinc/12/07/62/907120762.db2.gz	OEFQGQJAJCJZBR-UHFFFAOYSA-N	1	0	354.398	1.418	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@H]3CCO[C@H]3C(=C)C)CC2)C1=O	ZINC000997081198	907203256	/nfs/dbraw/zinc/20/32/56/907203256.db2.gz	SVTLRIQCFSDFNO-BZSNNMDCSA-N	1	0	361.486	1.335	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H]2CCCNC2=O)C1	ZINC001081114905	907213486	/nfs/dbraw/zinc/21/34/86/907213486.db2.gz	MMJICPQXQWLLBS-GBESFXJTSA-N	1	0	351.450	1.263	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)N2CCCCC2=O)C[C@H]1c1ccccc1	ZINC001081116873	907222769	/nfs/dbraw/zinc/22/27/69/907222769.db2.gz	FDRWWCFVXZORCG-YSIASYRMSA-N	1	0	367.493	1.995	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccnc3c2CC(=O)N3)C[C@H]1c1ccccc1	ZINC001081140255	907246105	/nfs/dbraw/zinc/24/61/05/907246105.db2.gz	QLTXKFWLPKQMNR-ZWKOTPCHSA-N	1	0	362.433	1.960	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@H]1c1ccccc1	ZINC001081143041	907253030	/nfs/dbraw/zinc/25/30/30/907253030.db2.gz	IYQOMZCDBURXSR-OKZBNKHCSA-N	1	0	356.470	1.547	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@H]1c1ccccc1	ZINC001081165032	907284042	/nfs/dbraw/zinc/28/40/42/907284042.db2.gz	NCYXPAFQYQUOBK-BBWFWOEESA-N	1	0	361.873	1.944	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccnc3c2nnn3C)C[C@H]1c1ccccc1	ZINC001081170559	907291392	/nfs/dbraw/zinc/29/13/92/907291392.db2.gz	BWQSBMOBNCFBER-DLBZAZTESA-N	1	0	362.437	1.747	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn([C@H]3CCOC3)nn2)C[C@H]1c1ccccc1	ZINC001081208927	907314617	/nfs/dbraw/zinc/31/46/17/907314617.db2.gz	UPFYIVYTSWLGQL-OKZBNKHCSA-N	1	0	367.453	1.623	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+][C@H]3CCNC3=O)C2)C1	ZINC001081176930	907344490	/nfs/dbraw/zinc/34/44/90/907344490.db2.gz	ROEDXVJSJYRQMU-OKZBNKHCSA-N	1	0	353.466	1.815	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3nnnn3CC2)C[C@H]1c1ccccc1	ZINC001081184944	907357007	/nfs/dbraw/zinc/35/70/07/907357007.db2.gz	CZEUZXOMZYWDGF-OKZBNKHCSA-N	1	0	366.469	1.396	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3ncccc3C)C[C@H]2OC)CC1	ZINC001082384279	907388939	/nfs/dbraw/zinc/38/89/39/907388939.db2.gz	NEJLZOPVNFVRIP-WOJBJXKFSA-N	1	0	370.497	1.051	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1OC	ZINC001082384657	907394777	/nfs/dbraw/zinc/39/47/77/907394777.db2.gz	GWPQMFUMXAWCJE-VAMGGRTRSA-N	1	0	370.497	1.748	20	30		FDEDRO
CO[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C	ZINC001081435486	907569130	/nfs/dbraw/zinc/56/91/30/907569130.db2.gz	VENFCNJMMKZHQC-GUDVDZBRSA-N	1	0	359.445	1.087	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnsn2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082436225	907718261	/nfs/dbraw/zinc/71/82/61/907718261.db2.gz	WFUOKSIQFQUHSN-MLGOLLRUSA-N	1	0	357.439	1.691	20	30		FDEDRO
Cc1cnn(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)c1	ZINC001082439856	907772145	/nfs/dbraw/zinc/77/21/45/907772145.db2.gz	OPPBMUTWKWDTQM-RDTXWAMCSA-N	1	0	355.417	1.839	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1O	ZINC001077776623	907843324	/nfs/dbraw/zinc/84/33/24/907843324.db2.gz	XZKIJFMXXYAMTM-VAMGGRTRSA-N	1	0	370.497	1.482	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1[NH2+][C@@H]1CCN(C2CCC2)C1=O	ZINC001082483762	907907454	/nfs/dbraw/zinc/90/74/54/907907454.db2.gz	HWAXSHWFDXUGLW-CSMYWGQOSA-N	1	0	355.442	1.090	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2cc[nH]c(=O)c2)C[C@H]1C	ZINC001082471855	907919715	/nfs/dbraw/zinc/91/97/15/907919715.db2.gz	YJJUXFUNDLLNCB-CXAGYDPISA-N	1	0	366.421	1.918	20	30		FDEDRO
CC[C@H]1CCCCN1C(=O)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC001082482046	907957742	/nfs/dbraw/zinc/95/77/42/907957742.db2.gz	FSSHKKDNQKCBFC-FHLIZLRMSA-N	1	0	371.485	1.728	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1[NH2+]C[C@H](O)c1ccccc1F	ZINC001082482129	907958010	/nfs/dbraw/zinc/95/80/10/907958010.db2.gz	SYJMUCDGPFUHBP-PJSAGSTRSA-N	1	0	356.401	1.809	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC2OCCCO2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082486932	907981847	/nfs/dbraw/zinc/98/18/47/907981847.db2.gz	ADHICNUJNSBWSC-CXAGYDPISA-N	1	0	361.417	1.787	20	30		FDEDRO
CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)C1	ZINC001082489985	907996363	/nfs/dbraw/zinc/99/63/63/907996363.db2.gz	XRXBYBIYWZPTHD-KZULUSFZSA-N	1	0	358.417	1.112	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnc(N(C)C)cn2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082511494	908043386	/nfs/dbraw/zinc/04/33/86/908043386.db2.gz	XLIWKXHDNNXSMP-RDTXWAMCSA-N	1	0	364.453	1.665	20	30		FDEDRO
CCn1ncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)n1	ZINC001082500570	908087383	/nfs/dbraw/zinc/08/73/83/908087383.db2.gz	AUGGRDZWAYFKKB-SJKOYZFVSA-N	1	0	356.405	1.559	20	30		FDEDRO
CCn1nncc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC001082501464	908093573	/nfs/dbraw/zinc/09/35/73/908093573.db2.gz	BJBXNEQGDZQCPT-MLGOLLRUSA-N	1	0	356.405	1.559	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc(C)nc(C)c3)C[C@H]2C)C1=O	ZINC001082534831	908311529	/nfs/dbraw/zinc/31/15/29/908311529.db2.gz	UGYZBPABGRXMTB-JEBQAFNWSA-N	1	0	356.470	1.535	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@]2(C)C=CCC2)CC1	ZINC000997356251	908311965	/nfs/dbraw/zinc/31/19/65/908311965.db2.gz	BOXOZSIXFMQPIL-GHDARCQNSA-N	1	0	369.509	1.936	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CCC2CC2)CC1	ZINC000997358319	908314504	/nfs/dbraw/zinc/31/45/04/908314504.db2.gz	YPAHGAFSMSPIGZ-QYZOEREBSA-N	1	0	357.498	1.770	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@]2(C)CCOC2)CC1	ZINC000997357292	908324830	/nfs/dbraw/zinc/32/48/30/908324830.db2.gz	JOLDUXBAYUBVIJ-OEMYIYORSA-N	1	0	373.497	1.006	20	30		FDEDRO
C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1	ZINC001107951197	908360685	/nfs/dbraw/zinc/36/06/85/908360685.db2.gz	JHWNUGKCJMMNEK-WSTZPKSXSA-N	1	0	359.470	1.942	20	30		FDEDRO
CC(C)N1C[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)CC1=O	ZINC001082540966	908562727	/nfs/dbraw/zinc/56/27/27/908562727.db2.gz	DOLFQXGVKPPLJB-ATZDWAIDSA-N	1	0	368.481	1.752	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc(F)ccc3F)C[C@H]2C)C1=O	ZINC001082560934	908623513	/nfs/dbraw/zinc/62/35/13/908623513.db2.gz	FSFDQHYYTUFRPD-OAUYIBNBSA-N	1	0	363.408	1.802	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cnn3ncccc23)C[C@H]1C	ZINC001082564392	908664586	/nfs/dbraw/zinc/66/45/86/908664586.db2.gz	PMILVAFYAYASPC-ZWNOBZJWSA-N	1	0	364.247	1.688	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccnc(OC)c2)C1	ZINC001082567938	908704301	/nfs/dbraw/zinc/70/43/01/908704301.db2.gz	MLOTVBQMPWWWCH-NXHRZFHOSA-N	1	0	356.470	1.124	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082569973	908724405	/nfs/dbraw/zinc/72/44/05/908724405.db2.gz	PVHMLGWVYHOCHJ-OHQAAIJDSA-N	1	0	373.453	1.329	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc(C(N)=O)c2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082598750	908951768	/nfs/dbraw/zinc/95/17/68/908951768.db2.gz	QLXVXYNRCOEEKC-AUUYWEPGSA-N	1	0	362.433	1.907	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCC2=O)C1	ZINC001082599585	908958191	/nfs/dbraw/zinc/95/81/91/908958191.db2.gz	AMPUPRHCIXITMY-SJLPKXTDSA-N	1	0	371.481	1.924	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3CCCC3=O)C2)cc1	ZINC001082600356	908963176	/nfs/dbraw/zinc/96/31/76/908963176.db2.gz	PYSLVEGEYARUJG-VQIMIIECSA-N	1	0	371.481	1.924	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ncccc3CC)C[C@H]2C)C1=O	ZINC001082608036	908982501	/nfs/dbraw/zinc/98/25/01/908982501.db2.gz	CWPCIAAVDWFIGH-DJIMGWMZSA-N	1	0	356.470	1.481	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082611507	909006740	/nfs/dbraw/zinc/00/67/40/909006740.db2.gz	KHMFJHYXDSKQJY-ISTRZQFTSA-N	1	0	358.417	1.160	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2N(C)C)C[C@@H]1O	ZINC001083789759	909031478	/nfs/dbraw/zinc/03/14/78/909031478.db2.gz	USOCQMSBWCRNMF-FPAYPSAMSA-N	1	0	359.470	1.005	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3c[nH]nc3C(C)C)C[C@H]2C)C1=O	ZINC001082613158	909034467	/nfs/dbraw/zinc/03/44/67/909034467.db2.gz	LHDMSSNUUSPRFZ-VNQPRFMTSA-N	1	0	359.474	1.370	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2cncn2C)C[C@H]1C	ZINC001082621710	909132423	/nfs/dbraw/zinc/13/24/23/909132423.db2.gz	QHMAYWJYNNPIBT-CZUORRHYSA-N	1	0	353.426	1.551	20	30		FDEDRO
CC(=O)N1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)C1	ZINC001082627492	909153943	/nfs/dbraw/zinc/15/39/43/909153943.db2.gz	NQIJQLWCVOUEDP-CDHQVMDDSA-N	1	0	368.481	1.753	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082632636	909188566	/nfs/dbraw/zinc/18/85/66/909188566.db2.gz	HCWFQVCFHJEXML-IUODEOHRSA-N	1	0	352.394	1.500	20	30		FDEDRO
C=CCn1c(-c2cccn2C)nnc1N1CC[NH+](C2CCOCC2)CC1	ZINC000282170390	909192988	/nfs/dbraw/zinc/19/29/88/909192988.db2.gz	DQZHTIORAYKCCD-UHFFFAOYSA-N	1	0	356.474	1.771	20	30		FDEDRO
COc1nccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)n1	ZINC001082636426	909234087	/nfs/dbraw/zinc/23/40/87/909234087.db2.gz	SBTPBTMUSVPTOV-CXAGYDPISA-N	1	0	351.410	1.607	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cncc(CC)c3)C[C@H]2C)C1=O	ZINC001082645767	909305849	/nfs/dbraw/zinc/30/58/49/909305849.db2.gz	WPJWAIOMNVUTQU-ZTFGCOKTSA-N	1	0	356.470	1.481	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1C	ZINC001082652486	909362097	/nfs/dbraw/zinc/36/20/97/909362097.db2.gz	BFLOMEVSCJGGME-PBWLOKPWSA-N	1	0	355.276	1.755	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082660384	909380443	/nfs/dbraw/zinc/38/04/43/909380443.db2.gz	XVNNZPDIEPBZDY-FXHACXQTSA-N	1	0	358.417	1.160	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cn(C(C)C)cn3)C[C@H]2C)C1=O	ZINC001082665137	909449736	/nfs/dbraw/zinc/44/97/36/909449736.db2.gz	ZHQRYCGKBSPDLY-OWCLPIDISA-N	1	0	359.474	1.301	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](NC(=O)COCCc2cccc(F)c2)[C@H](OC)C1	ZINC001212377480	909504920	/nfs/dbraw/zinc/50/49/20/909504920.db2.gz	OGSJLJAYLZOADW-QZTJIDSGSA-N	1	0	350.434	1.776	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)CCn2ccnc2)C[C@H]1C	ZINC001082673525	909514193	/nfs/dbraw/zinc/51/41/93/909514193.db2.gz	UYDUZDRMIYFTKL-CRAIPNDOSA-N	1	0	367.453	1.790	20	30		FDEDRO
Cc1noc(CCC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)n1	ZINC001082675109	909528768	/nfs/dbraw/zinc/52/87/68/909528768.db2.gz	XQKSDXPQKKPTBU-SJKOYZFVSA-N	1	0	371.416	1.958	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn3cccnc23)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082678222	909558655	/nfs/dbraw/zinc/55/86/55/909558655.db2.gz	GUOWNANVTMDQBG-MLGOLLRUSA-N	1	0	366.450	1.913	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)cc1	ZINC001082678180	909558667	/nfs/dbraw/zinc/55/86/67/909558667.db2.gz	CFRQJWWBVFEGIK-QGPMSJSTSA-N	1	0	360.479	1.153	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2C)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082680556	909588211	/nfs/dbraw/zinc/58/82/11/909588211.db2.gz	NOYSXGSTSCDWRN-FHLIZLRMSA-N	1	0	354.454	1.506	20	30		FDEDRO
CC(C)N1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1	ZINC001082702945	909626275	/nfs/dbraw/zinc/62/62/75/909626275.db2.gz	QELGWHVJGXBTNW-AHRSYUTCSA-N	1	0	370.497	1.604	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1C	ZINC001082693993	909637127	/nfs/dbraw/zinc/63/71/27/909637127.db2.gz	QOPMLQKAFKIWQF-ZIIYPAMZSA-N	1	0	355.438	1.396	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc[nH]c3CCC)C[C@H]2C)C1=O	ZINC001082696425	909647257	/nfs/dbraw/zinc/64/72/57/909647257.db2.gz	JNKHRRCKNLRSSP-ZTFGCOKTSA-N	1	0	358.486	1.804	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@]3(F)CCOC3)C[C@H]2C)cc1C#N	ZINC001082703561	909700657	/nfs/dbraw/zinc/70/06/57/909700657.db2.gz	BLHLNWJTAYYFIH-VVFCZOMOSA-N	1	0	361.417	1.632	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@H]1C	ZINC001082707856	909738107	/nfs/dbraw/zinc/73/81/07/909738107.db2.gz	HPKJCKQPSFMOMQ-ZWNOBZJWSA-N	1	0	357.252	1.144	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccc(F)c(C)c3)C[C@H]2C)C1=O	ZINC001082715861	909796876	/nfs/dbraw/zinc/79/68/76/909796876.db2.gz	LQBCEIFKSORXPC-FHLIZLRMSA-N	1	0	359.445	1.971	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082721567	909828045	/nfs/dbraw/zinc/82/80/45/909828045.db2.gz	ZMIKMIDXPVFRAA-CZUORRHYSA-N	1	0	369.425	1.278	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccnc(OC)c3)C2)c1	ZINC001082730212	909864854	/nfs/dbraw/zinc/86/48/54/909864854.db2.gz	GTNRZNFZQCSRNP-RDTXWAMCSA-N	1	0	350.422	1.717	20	30		FDEDRO
C=C(C)CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@]13C[C@H]1COC3)CC2	ZINC001128004689	909865618	/nfs/dbraw/zinc/86/56/18/909865618.db2.gz	CXLIHOMVCHOOEL-KHYOSLBOSA-N	1	0	359.474	1.192	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H]3CCN(CC)C3=O)C2)cc1	ZINC001082791297	910193301	/nfs/dbraw/zinc/19/33/01/910193301.db2.gz	KMKXNVUSVVWQJK-AYOQOUSVSA-N	1	0	369.465	1.370	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(C#N)[nH]1	ZINC000998065101	910262349	/nfs/dbraw/zinc/26/23/49/910262349.db2.gz	UOUWBEVOQHREDG-IWCQGFGOSA-N	1	0	355.442	1.232	20	30		FDEDRO
N#CCOc1ccc(C[NH2+]CC2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)cc1	ZINC000998084288	910315374	/nfs/dbraw/zinc/31/53/74/910315374.db2.gz	URMCIQSTJMULPL-MSOLQXFVSA-N	1	0	370.453	1.039	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082826397	910338173	/nfs/dbraw/zinc/33/81/73/910338173.db2.gz	MVDNGEDTMWHURI-PIGZYNQJSA-N	1	0	369.400	1.375	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3c3ccco3)CC2)C1=O	ZINC000998110815	910360941	/nfs/dbraw/zinc/36/09/41/910360941.db2.gz	PWPQVJRHEQRSRD-KURKYZTESA-N	1	0	371.481	1.998	20	30		FDEDRO
C=CCC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@@H]1CCO[C@H]1CC)CC2	ZINC001128019508	910378828	/nfs/dbraw/zinc/37/88/28/910378828.db2.gz	GKFDNNLRKSWYPR-OAGGEKHMSA-N	1	0	361.490	1.580	20	30		FDEDRO
Cc1nonc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1	ZINC001082834083	910395270	/nfs/dbraw/zinc/39/52/70/910395270.db2.gz	VIFFEHXWQXWKQD-FZKQIMNGSA-N	1	0	369.425	1.460	20	30		FDEDRO
C[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C#N)C1)N1CCCC1=O	ZINC001082856785	910489732	/nfs/dbraw/zinc/48/97/32/910489732.db2.gz	GRNFCNYJIBHJFX-GPMSIDNRSA-N	1	0	368.481	1.896	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C(N)=O)cc3)C2)nc1	ZINC001082869138	910511109	/nfs/dbraw/zinc/51/11/09/910511109.db2.gz	SFIBOUWLEVNDTG-AUUYWEPGSA-N	1	0	362.433	1.412	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H]3CCN(C(C)(C)C)C3=O)C2)nc1	ZINC001082870469	910519125	/nfs/dbraw/zinc/51/91/25/910519125.db2.gz	YPGQIJQXLVKIPI-FHLIZLRMSA-N	1	0	368.481	1.512	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)C(C)(C)C(F)(F)F)C[C@H]2C)C1=O	ZINC001082875022	910573121	/nfs/dbraw/zinc/57/31/21/910573121.db2.gz	RPNVRMDMFVTEBG-FRRDWIJNSA-N	1	0	361.408	1.798	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2)CC1	ZINC000727369414	910811572	/nfs/dbraw/zinc/81/15/72/910811572.db2.gz	DXOHXKCDOAGUTM-KRWDZBQOSA-N	1	0	357.479	1.872	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1)N1CCCCC1=O	ZINC001082940153	911006069	/nfs/dbraw/zinc/00/60/69/911006069.db2.gz	GPFYOOGSPVJBCL-GPMSIDNRSA-N	1	0	368.481	1.896	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)c3ncccn3)C2)CC1	ZINC001082940989	911015950	/nfs/dbraw/zinc/01/59/50/911015950.db2.gz	HCHYEHXYBOLFFT-SOLBZPMBSA-N	1	0	355.486	1.319	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1	ZINC000273102340	911080611	/nfs/dbraw/zinc/08/06/11/911080611.db2.gz	IRXKDLGFGJFHBY-CQSZACIVSA-N	1	0	358.442	1.886	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(COC)cc2)C[C@H]1O	ZINC001077821879	911147781	/nfs/dbraw/zinc/14/77/81/911147781.db2.gz	LNLWJHUTOILFLF-NMLBUPMWSA-N	1	0	374.481	1.476	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccc(N(C)C)cc2F)[C@H](OC)C1	ZINC001212406319	911378492	/nfs/dbraw/zinc/37/84/92/911378492.db2.gz	OFJFYJQDNSRORJ-QZTJIDSGSA-N	1	0	365.449	1.523	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccc(C(N)=O)cc2)C1	ZINC000998789359	911680133	/nfs/dbraw/zinc/68/01/33/911680133.db2.gz	YIQASYKRHFSGCK-GMNCBBECSA-N	1	0	371.481	1.846	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2COCCO2)cc1F	ZINC001085136540	921701417	/nfs/dbraw/zinc/70/14/17/921701417.db2.gz	BFCZBSWUGCBBLC-KURKYZTESA-N	1	0	361.417	1.630	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCCN(C(=O)CC)C3)[C@H]2C1	ZINC001083091610	911973417	/nfs/dbraw/zinc/97/34/17/911973417.db2.gz	WHFBYAZCILBBOA-OKZBNKHCSA-N	1	0	363.502	1.513	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc4c3NC(=O)CO4)[C@H]2C1	ZINC001083108307	912064064	/nfs/dbraw/zinc/06/40/64/912064064.db2.gz	LENRMHZSINEFOW-GOEBONIOSA-N	1	0	357.410	1.119	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCc2nnc(C[NH2+]CC(C)C)n2CC1	ZINC001128041419	912080826	/nfs/dbraw/zinc/08/08/26/912080826.db2.gz	XXZSSYCMALZYGP-XHSDSOJGSA-N	1	0	361.490	1.436	20	30		FDEDRO
Cc1cc(CC(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)n(C)n1	ZINC001084515531	915119651	/nfs/dbraw/zinc/11/96/51/915119651.db2.gz	ITNJNRRMKZFYFM-UYAOXDASSA-N	1	0	363.465	1.876	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](C[C@H]4CCc5ncnn54)C[C@H]32)cc1	ZINC001084567609	915400525	/nfs/dbraw/zinc/40/05/25/915400525.db2.gz	CAUKMLWKWCHJDH-GUDVDZBRSA-N	1	0	361.449	1.593	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(n4cnnn4)CCCCC3)[C@@H]2C1	ZINC001084573449	915433890	/nfs/dbraw/zinc/43/38/90/915433890.db2.gz	UVPPLVCFUGDLEM-IAGOWNOFSA-N	1	0	358.490	1.831	20	30		FDEDRO
Cn1cc(OCC(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)cn1	ZINC001084612901	915650356	/nfs/dbraw/zinc/65/03/56/915650356.db2.gz	SLPDXUWXXCPEGR-IEBWSBKVSA-N	1	0	365.437	1.403	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000730097980	916120985	/nfs/dbraw/zinc/12/09/85/916120985.db2.gz	QTLRHFVOBYNZIM-FQEVSTJZSA-N	1	0	354.498	1.860	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC1	ZINC000730113542	916160551	/nfs/dbraw/zinc/16/05/51/916160551.db2.gz	XJUZDJRKMXDAJM-UHFFFAOYSA-N	1	0	352.385	1.853	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3CC[N@H+](CCC4CCOCC4)C[C@H]32)nn1	ZINC001084709216	916396786	/nfs/dbraw/zinc/39/67/86/916396786.db2.gz	QNCOBDOJFNNYHB-SJLPKXTDSA-N	1	0	359.474	1.427	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]nc3-c3cnn(C)c3)[C@@H]2C1	ZINC001084767186	916961588	/nfs/dbraw/zinc/96/15/88/916961588.db2.gz	JXVXEHMZDHXQGQ-RHSMWYFYSA-N	1	0	354.458	1.923	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCCN4C(N)=O)[C@@H]3C2)c1	ZINC001084868273	917848234	/nfs/dbraw/zinc/84/82/34/917848234.db2.gz	BPRRAONHGIGDAG-FGTMMUONSA-N	1	0	367.453	1.134	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)CCc4ccco4)C[C@@H]32)C1=O	ZINC001084888227	918004086	/nfs/dbraw/zinc/00/40/86/918004086.db2.gz	CWHTUYQJXMSLOA-UHOSZYNNSA-N	1	0	371.481	1.922	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4occc4C)C[C@@H]32)C1=O	ZINC001084890137	918024735	/nfs/dbraw/zinc/02/47/35/918024735.db2.gz	KMDYEFLIULZXTH-ULQDDVLXSA-N	1	0	357.454	1.911	20	30		FDEDRO
NC(=O)CC(=O)N1CC[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)[C@H]2C1	ZINC001084908892	918227894	/nfs/dbraw/zinc/22/78/94/918227894.db2.gz	UUZWOINPSOXKNH-WBVHZDCISA-N	1	0	359.857	1.490	20	30		FDEDRO
CN1CCO[C@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4cccc(C#N)c4)[C@H]3C2)C1	ZINC001084910955	918245520	/nfs/dbraw/zinc/24/55/20/918245520.db2.gz	JPIIVBVAWZFXGP-AABGKKOBSA-N	1	0	368.481	1.312	20	30		FDEDRO
CN1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CC#Cc4ccccc4)[C@H]3C2)C1	ZINC001084911021	918245633	/nfs/dbraw/zinc/24/56/33/918245633.db2.gz	LGTWZKIWDHKUGR-QHAWAJNXSA-N	1	0	367.493	1.292	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)CCc4ccoc4)C[C@@H]32)C1=O	ZINC001084918200	918300964	/nfs/dbraw/zinc/30/09/64/918300964.db2.gz	MDWKVAMCUWMMLX-OTWHNJEPSA-N	1	0	371.481	1.922	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3COC(=O)C3)C[C@@H]21	ZINC001084920760	918329416	/nfs/dbraw/zinc/32/94/16/918329416.db2.gz	VEAJYWPTJVFYFI-FCEWJHQRSA-N	1	0	367.449	1.934	20	30		FDEDRO
O=C(Cc1cncnc1)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001084929697	918443239	/nfs/dbraw/zinc/44/32/39/918443239.db2.gz	JKLFTYXILRKYSF-RTWAWAEBSA-N	1	0	360.461	1.994	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3c(CC)c(CC)n[nH]c3=O)C[C@@H]21	ZINC001084951450	918751939	/nfs/dbraw/zinc/75/19/39/918751939.db2.gz	YQRIXHBLJKFMKO-PBHICJAKSA-N	1	0	356.470	1.867	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2CC[N@H+](C)C2)c1	ZINC000731895988	918764389	/nfs/dbraw/zinc/76/43/89/918764389.db2.gz	FGGNMFSPQZPWAJ-NIGUIEARSA-N	1	0	364.471	1.390	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)n3nnnc3C(C)(C)C)C[C@@H]21	ZINC001084955377	918782202	/nfs/dbraw/zinc/78/22/02/918782202.db2.gz	XKNHILXUDCMAOC-OAGGEKHMSA-N	1	0	358.490	1.478	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@]3(C4CCCC4)CCNC3=O)C[C@@H]21	ZINC001084961707	918867149	/nfs/dbraw/zinc/86/71/49/918867149.db2.gz	VPYMEXLNOCDLDI-MMOPVJDHSA-N	1	0	357.498	1.629	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CCC(=O)NC4)C[C@@H]32)c1	ZINC001084978489	919062366	/nfs/dbraw/zinc/06/23/66/919062366.db2.gz	UEPSDEHNFJZYDH-QRVBRYPASA-N	1	0	366.465	1.507	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)C4(F)CCCC4)C[C@@H]32)C1=O	ZINC001084976759	919085549	/nfs/dbraw/zinc/08/55/49/919085549.db2.gz	JUBWTFLFCXZSPL-BBWFWOEESA-N	1	0	363.477	1.978	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(Cn4ccnn4)o3)C[C@@H]21	ZINC001084995259	919337352	/nfs/dbraw/zinc/33/73/52/919337352.db2.gz	TYBLSXIWHDORJX-WBVHZDCISA-N	1	0	353.426	1.479	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3COCCN3CC(F)F)C[C@@H]21	ZINC001084998605	919389545	/nfs/dbraw/zinc/38/95/45/919389545.db2.gz	WCZQLGIGZMPTNE-OWCLPIDISA-N	1	0	357.445	1.451	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](C[C@H](O)CN3CCCC3=O)[C@H]2C1	ZINC001085006270	919570929	/nfs/dbraw/zinc/57/09/29/919570929.db2.gz	KCVYMGXIXWEQPZ-IKGGRYGDSA-N	1	0	363.502	1.105	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)cc1	ZINC000732412511	919582967	/nfs/dbraw/zinc/58/29/67/919582967.db2.gz	HPODWBHZJXBHGC-MOPGFXCFSA-N	1	0	371.481	1.969	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4[C@@H]5COC[C@@H]54)C[C@@H]32)s1	ZINC001085009618	919601840	/nfs/dbraw/zinc/60/18/40/919601840.db2.gz	QDJFHAWQOLJFEZ-JGRFCZEVSA-N	1	0	357.479	1.935	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4nnn(C)c4C3)C[C@@H]21	ZINC001085017700	919696997	/nfs/dbraw/zinc/69/69/97/919696997.db2.gz	SKVDMBVHWVWVHK-MDZRGWNJSA-N	1	0	357.502	1.809	20	30		FDEDRO
C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@H+](C[C@@H](O)Cn4cccn4)[C@H]3C2)C1	ZINC001085027376	919832476	/nfs/dbraw/zinc/83/24/76/919832476.db2.gz	FPIDZGBNKQZPHD-KURKYZTESA-N	1	0	358.486	1.523	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N(C)C)[C@H]2C1	ZINC001085052994	920118560	/nfs/dbraw/zinc/11/85/60/920118560.db2.gz	WXJGMAHKEWRGFQ-DFEOGRTESA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn4nc(C)cc4[nH]c3=O)C[C@@H]21	ZINC001085056405	920201318	/nfs/dbraw/zinc/20/13/18/920201318.db2.gz	AHDLIIDHHVFITE-ZBFHGGJFSA-N	1	0	355.442	1.444	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4nccs4)C[C@@H]32)C1=O	ZINC001085061512	920290125	/nfs/dbraw/zinc/29/01/25/920290125.db2.gz	QNWACOBOWKHGHG-KKUMJFAQSA-N	1	0	360.483	1.466	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(CNC(C)=O)c3)C[C@@H]21	ZINC001085097198	920829265	/nfs/dbraw/zinc/82/92/65/920829265.db2.gz	UGEZOTUIBSWUJA-QUCCMNQESA-N	1	0	353.466	1.882	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)COc3cccc(C(N)=O)c3)C[C@@H]21	ZINC001085099525	920902987	/nfs/dbraw/zinc/90/29/87/920902987.db2.gz	XROXYBLNPDIVST-QAPCUYQASA-N	1	0	355.438	1.110	20	30		FDEDRO
CN1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)s2)C1	ZINC001085159561	921882465	/nfs/dbraw/zinc/88/24/65/921882465.db2.gz	ZGKFYPOXIMILCZ-ZACQAIPSSA-N	1	0	362.499	1.467	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCc3ncnn32)c1	ZINC001085162046	921903596	/nfs/dbraw/zinc/90/35/96/921903596.db2.gz	BIYCOEYNXQFRFT-RBSFLKMASA-N	1	0	353.430	1.296	20	30		FDEDRO
COc1nccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C#N)c[nH]2)n1	ZINC001085163909	921911597	/nfs/dbraw/zinc/91/15/97/921911597.db2.gz	FVGXJDGEFHWXAZ-HUUCEWRRSA-N	1	0	354.414	1.516	20	30		FDEDRO
CCn1c(C)nnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC001085163850	921911693	/nfs/dbraw/zinc/91/16/93/921911693.db2.gz	CXAIONZAOFVQET-HUUCEWRRSA-N	1	0	355.446	1.637	20	30		FDEDRO
Cn1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)cc1=O	ZINC001085173525	921968555	/nfs/dbraw/zinc/96/85/55/921968555.db2.gz	AIJWIHHWKZIIPB-HZPDHXFCSA-N	1	0	353.426	1.416	20	30		FDEDRO
Cn1c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(C#N)c2)nnc1C1CC1	ZINC001085174784	921993946	/nfs/dbraw/zinc/99/39/46/921993946.db2.gz	ULEHUBBJKRFSOY-HZPDHXFCSA-N	1	0	367.457	1.723	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1cncnc1	ZINC001085184469	922082947	/nfs/dbraw/zinc/08/29/47/922082947.db2.gz	XUSASSBTDVTEGJ-ZIAGYGMSSA-N	1	0	353.264	1.945	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnnn1CC	ZINC001085189291	922141631	/nfs/dbraw/zinc/14/16/31/922141631.db2.gz	VENFHSMTQQRTNC-VXGBXAGGSA-N	1	0	356.268	1.837	20	30		FDEDRO
C=CCn1c(CC2CC2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1	ZINC000282698370	922191718	/nfs/dbraw/zinc/19/17/18/922191718.db2.gz	UULFZKMRWUXNOY-UHFFFAOYSA-N	1	0	360.506	1.407	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@](C)(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)n1	ZINC001065346466	922244941	/nfs/dbraw/zinc/24/49/41/922244941.db2.gz	WDSRPYQGFARDNI-YRNRMSPPSA-N	1	0	370.501	1.726	20	30		FDEDRO
Cc1cc(C#N)nc(N2CC[C@H]3[C@H]2CCCN3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1	ZINC001066201698	922620689	/nfs/dbraw/zinc/62/06/89/922620689.db2.gz	FVIJLKPCLUOYOU-DDBAPUKQSA-N	1	0	368.485	1.567	20	30		FDEDRO
Cc1cc(C#N)nc(N2CC[C@@H]3[C@H]2CCCN3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1	ZINC001066201703	922620819	/nfs/dbraw/zinc/62/08/19/922620819.db2.gz	FVIJLKPCLUOYOU-VDHUWJSZSA-N	1	0	368.485	1.567	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3c2cncc(C#N)n2)CC[N@@H+]1C	ZINC001066203415	922625353	/nfs/dbraw/zinc/62/53/53/922625353.db2.gz	RQOMIMANPBETNF-BSDSXHPESA-N	1	0	368.485	1.648	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc3n(n2)CCC3)C1=O	ZINC001085218677	922869724	/nfs/dbraw/zinc/86/97/24/922869724.db2.gz	LITNGZUBQGOPJR-ZACQAIPSSA-N	1	0	371.485	1.247	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000734162970	922998707	/nfs/dbraw/zinc/99/87/07/922998707.db2.gz	ROTSZABUTCQOAE-IRXDYDNUSA-N	1	0	359.470	1.997	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCNC1=O	ZINC001085232952	923005312	/nfs/dbraw/zinc/00/53/12/923005312.db2.gz	FVVHFTHVXCIBFQ-JHJVBQTASA-N	1	0	358.280	1.438	20	30		FDEDRO
C[C@@H]1CC(N=Nc2nc3[nH][nH]cc-3c(=O)n2)CC[N@@H+]1Cc1ccccc1	ZINC000734299823	923205813	/nfs/dbraw/zinc/20/58/13/923205813.db2.gz	VWZVHDCCRFSCRC-GFCCVEGCSA-N	1	0	351.414	1.884	20	30		FDEDRO
CCn1cc(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)nn1	ZINC001085281514	923476609	/nfs/dbraw/zinc/47/66/09/923476609.db2.gz	XACBYJJUVUHOCF-RTBURBONSA-N	1	0	366.469	1.929	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2nc(C)nn2C1	ZINC001085282092	923491695	/nfs/dbraw/zinc/49/16/95/923491695.db2.gz	AYSGOCSYIMBQJR-RBSFLKMASA-N	1	0	351.882	1.918	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@]1(C)CNC(=O)C1	ZINC001085283139	923502512	/nfs/dbraw/zinc/50/25/12/923502512.db2.gz	DGBUSKVSPGYAGY-LALPHHSUSA-N	1	0	358.280	1.438	20	30		FDEDRO
CN1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)s2)NC1=O	ZINC001085297986	923636864	/nfs/dbraw/zinc/63/68/64/923636864.db2.gz	ZZEXVKISKZFZEA-RBSFLKMASA-N	1	0	361.471	1.160	20	30		FDEDRO
CN1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)C1=O	ZINC001085302434	923678318	/nfs/dbraw/zinc/67/83/18/923678318.db2.gz	PSFJEMKLWVZKHY-RCCFBDPRSA-N	1	0	354.454	1.554	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCCC2)c1	ZINC001085326165	923918243	/nfs/dbraw/zinc/91/82/43/923918243.db2.gz	ZJIQONDYGOSGAN-RTBURBONSA-N	1	0	368.481	1.706	20	30		FDEDRO
N#CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[C@H]2C(N)=O)cc1	ZINC001085334782	923970667	/nfs/dbraw/zinc/97/06/67/923970667.db2.gz	IGIIQQVYNGIIMZ-XMTFNYHQSA-N	1	0	370.453	1.227	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2cscn2)C1=O	ZINC001085354310	924135554	/nfs/dbraw/zinc/13/55/54/924135554.db2.gz	ZLUWIGFCJMYETJ-OAGGEKHMSA-N	1	0	362.499	1.490	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2nc[nH]n2)cc1C#N	ZINC001085387604	924379976	/nfs/dbraw/zinc/37/99/76/924379976.db2.gz	YUZHYKJQPUQGSW-HZPDHXFCSA-N	1	0	368.441	1.445	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnnn1C	ZINC001085388876	924401384	/nfs/dbraw/zinc/40/13/84/924401384.db2.gz	HBVKTSSQSIXVNJ-HZPDHXFCSA-N	1	0	370.457	1.606	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(OC)nn2)nc1	ZINC001085398316	924447483	/nfs/dbraw/zinc/44/74/83/924447483.db2.gz	ATRBDVSKXRTODZ-IAGOWNOFSA-N	1	0	365.437	1.692	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(C)n(C)n2)nc1	ZINC001085398369	924448614	/nfs/dbraw/zinc/44/86/14/924448614.db2.gz	DKEMFDMQOJOWOL-QZTJIDSGSA-N	1	0	351.454	1.936	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCC(=O)N2)c1	ZINC001085398909	924451381	/nfs/dbraw/zinc/45/13/81/924451381.db2.gz	GZTQKFCDOGMGCY-ZACQAIPSSA-N	1	0	358.417	1.493	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC)C[NH+]2CCCC2)cc1	ZINC000735811412	924566729	/nfs/dbraw/zinc/56/67/29/924566729.db2.gz	XAKGWTYOPSGXPK-MRXNPFEDSA-N	1	0	363.483	1.202	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1ccccc1=O	ZINC001085418544	924575801	/nfs/dbraw/zinc/57/58/01/924575801.db2.gz	GPWIXLCTRYEEJO-ZIAGYGMSSA-N	1	0	368.275	1.774	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)nc1	ZINC000736375702	924826533	/nfs/dbraw/zinc/82/65/33/924826533.db2.gz	KELXHUQVMZIOPJ-MRXNPFEDSA-N	1	0	372.473	1.165	20	30		FDEDRO
CC#CCN1C[C@@H](NC(=O)c2cc(CCCCC)n[nH]2)[C@@H](n2ccnn2)C1	ZINC001129321622	925097030	/nfs/dbraw/zinc/09/70/30/925097030.db2.gz	NCOIAANLHYSQHG-MSOLQXFVSA-N	1	0	369.473	1.413	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1	ZINC000739916251	925323212	/nfs/dbraw/zinc/32/32/12/925323212.db2.gz	WDSAITAIXGUNII-OALUTQOASA-N	1	0	357.454	1.959	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccnn2-c2ccccc2)CC1	ZINC000179383351	925380033	/nfs/dbraw/zinc/38/00/33/925380033.db2.gz	IVAVSHBIJORAHS-UHFFFAOYSA-N	1	0	353.426	1.577	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)C[C@@H](NC(C)=O)c2ccc(OC)cc2)CC1	ZINC000740735482	925417694	/nfs/dbraw/zinc/41/76/94/925417694.db2.gz	HKRNXTNORKPKBU-HXUWFJFHSA-N	1	0	371.481	1.866	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CCc2c(C)nc(SC)[nH]c2=O)CC1	ZINC000740736808	925420843	/nfs/dbraw/zinc/42/08/43/925420843.db2.gz	NXCJAUPBZNWVHG-UHFFFAOYSA-N	1	0	362.499	1.749	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)Cn2cc(Br)ccc2=O)CC1	ZINC000740737849	925422057	/nfs/dbraw/zinc/42/20/57/925422057.db2.gz	LJBUNGMGYHDBOL-UHFFFAOYSA-N	1	0	366.259	1.215	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)COc2ccc3ccc(=O)oc3c2)CC1	ZINC000740748421	925435163	/nfs/dbraw/zinc/43/51/63/925435163.db2.gz	ICTRCLHAIKBYOZ-UHFFFAOYSA-N	1	0	354.406	1.776	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1	ZINC000740823227	925453883	/nfs/dbraw/zinc/45/38/83/925453883.db2.gz	NMFZMEUPTIXBTO-UHFFFAOYSA-N	1	0	371.409	1.330	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1	ZINC000740882671	925483859	/nfs/dbraw/zinc/48/38/59/925483859.db2.gz	FYCVHDNRUDJMDM-GJZGRUSLSA-N	1	0	352.479	1.984	20	30		FDEDRO
C=C(Br)CNC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000741414192	925754985	/nfs/dbraw/zinc/75/49/85/925754985.db2.gz	SOCOGVRDZOMSHA-MRXNPFEDSA-N	1	0	368.275	1.831	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nn(CC)nc2C)C1	ZINC001086089787	925938553	/nfs/dbraw/zinc/93/85/53/925938553.db2.gz	QCINWNBDWPHULU-HPFXQQBRSA-N	1	0	361.490	1.572	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ncnn2CCC)C1	ZINC001086089234	925944408	/nfs/dbraw/zinc/94/44/08/925944408.db2.gz	ONYNTCMONDRCGO-TWMKSMIVSA-N	1	0	361.490	1.654	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000742239197	925982192	/nfs/dbraw/zinc/98/21/92/925982192.db2.gz	KXHLYDKOHJPKHC-AWEZNQCLSA-N	1	0	364.471	1.093	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)c2nnnn2C)C1	ZINC001086220682	926326426	/nfs/dbraw/zinc/32/64/26/926326426.db2.gz	LXEWQGUONVVJSM-QMHWVQJVSA-N	1	0	362.478	1.127	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cnnn2CC)C1	ZINC001086220629	926326484	/nfs/dbraw/zinc/32/64/84/926326484.db2.gz	IXJOHINZFCXTJX-MVJTYMMSSA-N	1	0	361.490	1.654	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1	ZINC000743492353	926378969	/nfs/dbraw/zinc/37/89/69/926378969.db2.gz	UZRJAXGELYFYAI-UHFFFAOYSA-N	1	0	368.397	1.393	20	30		FDEDRO
COC(=O)CC[N@H+](CC(=O)NC1(C#N)CCCCC1)C1CCOCC1	ZINC000743871649	926481865	/nfs/dbraw/zinc/48/18/65/926481865.db2.gz	PDCYNLWSMFCKJT-UHFFFAOYSA-N	1	0	351.447	1.373	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)c(C(=O)OC)c2)CC1	ZINC000743946971	926523904	/nfs/dbraw/zinc/52/39/04/926523904.db2.gz	QXPWYUINKOYHOI-UHFFFAOYSA-N	1	0	363.389	1.317	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H]1C	ZINC000743981414	926537780	/nfs/dbraw/zinc/53/77/80/926537780.db2.gz	QOQPTFCNOLWCNX-AWEZNQCLSA-N	1	0	358.442	1.884	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](NC(=O)CC[NH+](C)C)CC1	ZINC001066495659	926692037	/nfs/dbraw/zinc/69/20/37/926692037.db2.gz	ALRPGMIUSBRHCU-BQFCYCMXSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(OC)nn2)C1	ZINC001086368984	926861105	/nfs/dbraw/zinc/86/11/05/926861105.db2.gz	JKYSLABKIKFTEE-DZUCGIPZSA-N	1	0	360.458	1.451	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCc2cnn(CC)c2)C1	ZINC001086369623	926866162	/nfs/dbraw/zinc/86/61/62/926866162.db2.gz	ROVNIDRBQROZFT-MKXGPGLRSA-N	1	0	360.502	1.911	20	30		FDEDRO
C#CCOc1ccc(C(=O)OCC(=O)NC2CC[NH+](C(C)C)CC2)cc1	ZINC000745217418	927119279	/nfs/dbraw/zinc/11/92/79/927119279.db2.gz	KPJDZRCUAMFSPO-UHFFFAOYSA-N	1	0	358.438	1.844	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2COCCN2c2ccc(C#N)c(C)n2)CC[N@@H+]1C	ZINC001066526921	927149112	/nfs/dbraw/zinc/14/91/12/927149112.db2.gz	PAWLBGQMEQKMEX-OKZBNKHCSA-N	1	0	371.485	1.313	20	30		FDEDRO
C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1	ZINC001108273043	927165000	/nfs/dbraw/zinc/16/50/00/927165000.db2.gz	WUYTVNKLXGIGGB-ZHALLVOQSA-N	1	0	362.474	1.071	20	30		FDEDRO
C=C(Br)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC001086434067	927229476	/nfs/dbraw/zinc/22/94/76/927229476.db2.gz	YGSIDXSWBRGLMP-VVRFCBCGSA-N	1	0	355.276	1.803	20	30		FDEDRO
C=C(Br)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1	ZINC001086436698	927248698	/nfs/dbraw/zinc/24/86/98/927248698.db2.gz	RYPGJPOABGFGPR-YYFQZIEXSA-N	1	0	373.291	1.431	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CCNC(=O)C2N=CC=CC2=O)C1	ZINC000746180307	927650125	/nfs/dbraw/zinc/65/01/25/927650125.db2.gz	DXAHNBMNAMAJBL-SGEFXGGVSA-N	1	0	374.485	1.767	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(OC)nn2)C1	ZINC001086503749	927711198	/nfs/dbraw/zinc/71/11/98/927711198.db2.gz	LOGPETZPWHHRJS-MBGYTDRXSA-N	1	0	360.458	1.451	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ncnn2C(C)C)C1	ZINC001086503729	927711331	/nfs/dbraw/zinc/71/13/31/927711331.db2.gz	KWOTTYKORYVUDW-OVWQWFNUSA-N	1	0	361.490	1.825	20	30		FDEDRO
N#CCn1cc(NC(=O)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cn1	ZINC000746343808	927888289	/nfs/dbraw/zinc/88/82/89/927888289.db2.gz	HRSUZLZJLUTSRQ-UHFFFAOYSA-N	1	0	372.473	1.650	20	30		FDEDRO
C[C@@H](CCNC(=O)C(=O)Nc1cnn(CC#N)c1)[N@H+](C)Cc1ccccc1	ZINC000746422643	927969726	/nfs/dbraw/zinc/96/97/26/927969726.db2.gz	QFCUWSIFUYSWHT-HNNXBMFYSA-N	1	0	368.441	1.372	20	30		FDEDRO
C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CC#CC(C)(C)C	ZINC001169180707	928342084	/nfs/dbraw/zinc/34/20/84/928342084.db2.gz	IQULSAJEQYYYNN-HNNXBMFYSA-N	1	0	373.501	1.632	20	30		FDEDRO
CCOC(=O)[C@H]1CC[C@H]([N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)CO1	ZINC001169404851	928506761	/nfs/dbraw/zinc/50/67/61/928506761.db2.gz	PVRLXWJFFQCOLR-DLBZAZTESA-N	1	0	358.442	1.576	20	30		FDEDRO
CCOC(=O)C1(Nc2nc(Cl)nc3[nH]cc(C#N)c32)CC[NH+](C)CC1	ZINC001169492947	928678304	/nfs/dbraw/zinc/67/83/04/928678304.db2.gz	REWVYGINAMSEMB-UHFFFAOYSA-N	1	0	362.821	1.922	20	30		FDEDRO
CC(=O)N1CCC[C@H]([N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)C1	ZINC001169614518	928814076	/nfs/dbraw/zinc/81/40/76/928814076.db2.gz	GNZPNSAQOMZNDX-PZJWPPBQSA-N	1	0	366.465	1.998	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCCCC)C2)C1	ZINC001108580385	928954564	/nfs/dbraw/zinc/95/45/64/928954564.db2.gz	LRROYHCULXEFDH-AYBZRNKSSA-N	1	0	363.502	1.559	20	30		FDEDRO
N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)C1CCCCC1	ZINC001108952222	929567986	/nfs/dbraw/zinc/56/79/86/929567986.db2.gz	RGNFDNMXJQZSHD-LTIDMASMSA-N	1	0	351.516	1.906	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3c(c1)c(C)nn3C)C2	ZINC001109579466	929825029	/nfs/dbraw/zinc/82/50/29/929825029.db2.gz	WPGOGWCUSQJPOL-NJAFHUGGSA-N	1	0	369.469	1.814	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)Nc1ccccc1)C2	ZINC001109580015	929827799	/nfs/dbraw/zinc/82/77/99/929827799.db2.gz	DCZFSYUKESVTDB-SQNIBIBYSA-N	1	0	372.469	1.732	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1nc3ccccn3c1=O)C2	ZINC001109584420	929848537	/nfs/dbraw/zinc/84/85/37/929848537.db2.gz	JBKHVNCCJSXARM-NCOADZHNSA-N	1	0	369.469	1.572	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNC(=O)C(F)(F)F	ZINC001109601657	929895371	/nfs/dbraw/zinc/89/53/71/929895371.db2.gz	JZNFGTPAAZOUKL-AGIUHOORSA-N	1	0	361.408	1.989	20	30		FDEDRO
CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNS(=O)(=O)CC	ZINC001109627568	929962180	/nfs/dbraw/zinc/96/21/80/929962180.db2.gz	XUOYGPQLJYYQAU-IKGGRYGDSA-N	1	0	369.531	1.231	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNS(=O)(=O)CC	ZINC001109635697	929985021	/nfs/dbraw/zinc/98/50/21/929985021.db2.gz	NXDQYBUWMNJMBC-NCOADZHNSA-N	1	0	371.547	1.640	20	30		FDEDRO
COc1ccc(CNC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cc1C#N	ZINC000770450884	930037266	/nfs/dbraw/zinc/03/72/66/930037266.db2.gz	JFSKIEOHWSDWRM-HNNXBMFYSA-N	1	0	359.474	1.392	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCNC(C)=O	ZINC001109771204	930375715	/nfs/dbraw/zinc/37/57/15/930375715.db2.gz	RFGNYJFONZQBCV-IKGGRYGDSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2	ZINC001109857900	930611687	/nfs/dbraw/zinc/61/16/87/930611687.db2.gz	JADVLCSCPTVPFE-DFEOGRTESA-N	1	0	364.534	1.377	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1NC(=O)c3ccccc31)C2	ZINC001109868526	930647346	/nfs/dbraw/zinc/64/73/46/930647346.db2.gz	UUUXNDIFOHWYBE-OAOYMFHYSA-N	1	0	369.465	1.785	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1	ZINC001170027336	930688505	/nfs/dbraw/zinc/68/85/05/930688505.db2.gz	RAUFBEQELDBYOT-KGLIPLIRSA-N	1	0	353.488	1.510	20	30		FDEDRO
C#CC[NH2+]CC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1	ZINC000746514404	930876934	/nfs/dbraw/zinc/87/69/34/930876934.db2.gz	ZKZHNRUYWXMDDZ-UHFFFAOYSA-N	1	0	353.344	1.213	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(=O)NCCCOC)C2	ZINC001109959282	930880471	/nfs/dbraw/zinc/88/04/71/930880471.db2.gz	CVVRZMIXYLAJGD-MHORFTMASA-N	1	0	365.518	1.996	20	30		FDEDRO
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[NH2+][C@H](CCO)C2CC2)CC1	ZINC000771799091	930896268	/nfs/dbraw/zinc/89/62/68/930896268.db2.gz	JIRHOLWTABTTTB-RTBURBONSA-N	1	0	374.460	1.285	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C)C2	ZINC001109966429	930926209	/nfs/dbraw/zinc/92/62/09/930926209.db2.gz	QEMPRCMQOXTPNB-FCIYXJNOSA-N	1	0	369.509	1.835	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCO[C@@H]2CCOC2)nc1	ZINC001109998453	930997392	/nfs/dbraw/zinc/99/73/92/930997392.db2.gz	ZIKYRQNEZRGERQ-JYBIWHBTSA-N	1	0	369.465	1.594	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H](CNc2cc(C)ncc2C#N)C2CC2)CC[N@@H+]1C	ZINC001110001653	931013172	/nfs/dbraw/zinc/01/31/72/931013172.db2.gz	HSWPSXUZFFUHRS-QXAKKESOSA-N	1	0	355.486	1.721	20	30		FDEDRO
Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)c(C#N)cn1	ZINC001090433050	931080097	/nfs/dbraw/zinc/08/00/97/931080097.db2.gz	OCBRZKJAURQZPI-QRQLOZEOSA-N	1	0	371.485	1.048	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@H]2CCN(c3ccccc3OC)C2=O)CC1	ZINC000772113454	931080763	/nfs/dbraw/zinc/08/07/63/931080763.db2.gz	FNFLTRYARMJYAQ-SFHVURJKSA-N	1	0	356.422	1.689	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@H]2CCN(c3c(F)cccc3F)C2=O)CC1	ZINC000772115425	931082354	/nfs/dbraw/zinc/08/23/54/931082354.db2.gz	GSMGGOZIOYJFGI-INIZCTEOSA-N	1	0	362.376	1.959	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)NCCCN(C)c2ccccc2)CC1	ZINC000772119142	931085890	/nfs/dbraw/zinc/08/58/90/931085890.db2.gz	CUBGTDDCBQJDJG-UHFFFAOYSA-N	1	0	371.481	1.518	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)Nc2cccc(C(=O)NC)c2)CC1	ZINC000772134429	931093584	/nfs/dbraw/zinc/09/35/84/931093584.db2.gz	UANPRNWFJQJCJI-CQSZACIVSA-N	1	0	371.437	1.262	20	30		FDEDRO
C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1	ZINC001170040918	931192598	/nfs/dbraw/zinc/19/25/98/931192598.db2.gz	ZNUAGRQBINLCON-CRAIPNDOSA-N	1	0	354.454	1.875	20	30		FDEDRO
CC1CCN(C(=S)SCC(=O)NC2(C#N)CC[NH+](C)CC2)CC1	ZINC000772390413	931260778	/nfs/dbraw/zinc/26/07/78/931260778.db2.gz	UUCJRPZAZYBQHO-UHFFFAOYSA-N	1	0	354.545	1.841	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c(C)n[nH]c1C)C2	ZINC001112546612	931438710	/nfs/dbraw/zinc/43/87/10/931438710.db2.gz	UMDJXYHKQKRGIP-KXBFYZLASA-N	1	0	359.474	1.161	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnc(C)nc1C)C2	ZINC001112547587	931448911	/nfs/dbraw/zinc/44/89/11/931448911.db2.gz	BDKYUVRSSZAACY-JXFKEZNVSA-N	1	0	371.485	1.228	20	30		FDEDRO
CCc1c[nH]c(=O)c(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC#CCOC)C2)c1	ZINC001112555064	931525463	/nfs/dbraw/zinc/52/54/63/931525463.db2.gz	XEDKLMRFTLJUSW-UWJYYQICSA-N	1	0	371.481	1.831	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnn(CCOCC)c1)C2	ZINC001112553679	931535135	/nfs/dbraw/zinc/53/51/35/931535135.db2.gz	CZTNOLNACYGNGE-ICSRJNTNSA-N	1	0	358.486	1.775	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCOCCCOC)C2	ZINC001112559837	931566251	/nfs/dbraw/zinc/56/62/51/931566251.db2.gz	RPPOMZWTUDIUGE-ICSRJNTNSA-N	1	0	366.502	1.298	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn([C@@H]3CCOC3)nn1)C2	ZINC001112558721	931579628	/nfs/dbraw/zinc/57/96/28/931579628.db2.gz	USXGMKGBDSRQJP-FCEWJHQRSA-N	1	0	357.458	1.095	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CCCS(=O)(=O)C1)C2	ZINC001112559452	931584346	/nfs/dbraw/zinc/58/43/46/931584346.db2.gz	XTCUUUWMTDIZPP-RYRKJORJSA-N	1	0	354.516	1.606	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(N3CCCC3)nn1)C2	ZINC001112561957	931592095	/nfs/dbraw/zinc/59/20/95/931592095.db2.gz	AXLCNJRDJDDRBF-UWJYYQICSA-N	1	0	367.497	1.932	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H](C)c1ccco1)C2	ZINC001112564183	931606901	/nfs/dbraw/zinc/60/69/01/931606901.db2.gz	HUSISTSZODIZAN-WWMYMODYSA-N	1	0	371.481	1.741	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CO[C@H](C)c1nccn1C)C2	ZINC001112570801	931652358	/nfs/dbraw/zinc/65/23/58/931652358.db2.gz	PSYHHGXBVUFIIF-UWVAXJGDSA-N	1	0	358.486	1.739	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1Cc3cccnc3C1)C2	ZINC001112570999	931653249	/nfs/dbraw/zinc/65/32/49/931653249.db2.gz	ZNKVUEBUSLUYEJ-IPJJNNNSSA-N	1	0	367.493	1.665	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc3nnn(C)c3c1)C2	ZINC001112570946	931653324	/nfs/dbraw/zinc/65/33/24/931653324.db2.gz	WVRJRMLWUMHPTK-JXFKEZNVSA-N	1	0	351.454	1.824	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CN(C(C)=O)CCO1)C2	ZINC001112572268	931665920	/nfs/dbraw/zinc/66/59/20/931665920.db2.gz	OJQFAFWUIUKKPU-BQFCYCMXSA-N	1	0	369.893	1.205	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccnc(C)n1)C2	ZINC001112580564	931726706	/nfs/dbraw/zinc/72/67/06/931726706.db2.gz	SZHZIPWKJFXXFP-UVFQYZLESA-N	1	0	371.485	1.308	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccn1CC)C2	ZINC001112579309	931741396	/nfs/dbraw/zinc/74/13/96/931741396.db2.gz	HHHDPPOXQZMWFI-WWMYMODYSA-N	1	0	370.497	1.478	20	30		FDEDRO
CC[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC#Cc1ccccc1)C2)C(N)=O	ZINC001112583293	931753404	/nfs/dbraw/zinc/75/34/04/931753404.db2.gz	MLHHULNGMFMGLC-IPJJNNNSSA-N	1	0	367.493	1.910	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nncs2)C1	ZINC001112589931	931807748	/nfs/dbraw/zinc/80/77/48/931807748.db2.gz	WFWBDMWQOKKILK-KEYYUXOJSA-N	1	0	350.488	1.848	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(N(C)C)ccn1)C2	ZINC001112590410	931836468	/nfs/dbraw/zinc/83/64/68/931836468.db2.gz	SXVARHLYXJMLNT-UWJYYQICSA-N	1	0	370.497	1.629	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2cccc(OC(C)C)c2)CC1	ZINC000786840805	932078321	/nfs/dbraw/zinc/07/83/21/932078321.db2.gz	FLMKCBQETWAJOM-UHFFFAOYSA-N	1	0	359.470	1.857	20	30		FDEDRO
C[C@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1)C(=O)NC1(C#N)CCC1	ZINC000787299185	932255054	/nfs/dbraw/zinc/25/50/54/932255054.db2.gz	NGIKEEARNFANMU-JSGCOSHPSA-N	1	0	350.463	1.830	20	30		FDEDRO
C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)NCCC#N)cc2)CC1	ZINC000787593800	932327951	/nfs/dbraw/zinc/32/79/51/932327951.db2.gz	BRTWRPTWHIKDJQ-UHFFFAOYSA-N	1	0	357.458	1.433	20	30		FDEDRO
COc1ccc(CNC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1C#N	ZINC000746742206	932629205	/nfs/dbraw/zinc/62/92/05/932629205.db2.gz	RXEBUBOASCAGNY-HNNXBMFYSA-N	1	0	359.474	1.250	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1	ZINC001112866108	932669179	/nfs/dbraw/zinc/66/91/79/932669179.db2.gz	OYMBVHBVMAIPBK-ZWKOTPCHSA-N	1	0	362.518	1.062	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)c1	ZINC000788481372	932710919	/nfs/dbraw/zinc/71/09/19/932710919.db2.gz	CFRMCYHBCKNIAT-UHFFFAOYSA-N	1	0	358.417	1.304	20	30		FDEDRO
C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)C1CN(C(=O)OC(C)(C)C)C1	ZINC000788643638	932754806	/nfs/dbraw/zinc/75/48/06/932754806.db2.gz	KQQBEMBQCYUXNV-SUQMRRJOSA-N	1	0	364.446	1.358	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@@H](O)[C@H](NC(=O)CCCC[NH+]3CCCC3)C2)n1	ZINC001090447020	933076745	/nfs/dbraw/zinc/07/67/45/933076745.db2.gz	MNDHLIJCWCAPNE-QZTJIDSGSA-N	1	0	371.485	1.194	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)n1	ZINC000790108130	933357199	/nfs/dbraw/zinc/35/71/99/933357199.db2.gz	VAHHUXCPTSZSSR-UHFFFAOYSA-N	1	0	366.469	1.325	20	30		FDEDRO
NC(=[NH+]OCCC1CS(=O)(=O)C1)c1ccc(N2CCCCC2)cc1	ZINC000790438214	933552308	/nfs/dbraw/zinc/55/23/08/933552308.db2.gz	KXEYQEYQOFCGPF-UHFFFAOYSA-N	1	0	351.472	1.749	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccn3nnnc23)C1	ZINC001086590087	933652471	/nfs/dbraw/zinc/65/24/71/933652471.db2.gz	KZXVODVRJDDNOS-ZWKOTPCHSA-N	1	0	362.437	1.898	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnccc2C)C1	ZINC001111677129	933775243	/nfs/dbraw/zinc/77/52/43/933775243.db2.gz	RKUFCFJVTJMNIH-GUXCAODWSA-N	1	0	354.454	1.112	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccnc3ccnn32)C1	ZINC001086591973	933797197	/nfs/dbraw/zinc/79/71/97/933797197.db2.gz	OSILYWLBQYGKBV-ZWKOTPCHSA-N	1	0	359.433	1.950	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1	ZINC001086593374	933835641	/nfs/dbraw/zinc/83/56/41/933835641.db2.gz	RVXFRUIHKBBQPO-PKOBYXMFSA-N	1	0	366.465	1.944	20	30		FDEDRO
C#C[C@H](CCC)NC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000791070570	933857928	/nfs/dbraw/zinc/85/79/28/933857928.db2.gz	VPAVEPPFVIZHJC-RTBURBONSA-N	1	0	370.497	1.985	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2COCCN2CC)C1	ZINC001086596049	933926554	/nfs/dbraw/zinc/92/65/54/933926554.db2.gz	IHOUSMHVZVXPQT-ZCNNSNEGSA-N	1	0	355.482	1.315	20	30		FDEDRO
C=C(Br)C[NH2+][C@H](C(=O)N(C)Cc1nnc2n1CCC2)C(C)C	ZINC000791626582	934091871	/nfs/dbraw/zinc/09/18/71/934091871.db2.gz	WSAOLNAWVLGFDF-AWEZNQCLSA-N	1	0	370.295	1.706	20	30		FDEDRO
CCOC(=O)CN(CC[NH3+])c1nc2c(c(C#N)c1C#N)CCCCCC2	ZINC001170992191	945072371	/nfs/dbraw/zinc/07/23/71/945072371.db2.gz	BFSAOJIQTXLCIR-UHFFFAOYSA-N	1	0	355.442	1.812	20	30		FDEDRO
C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCc1cc(C#N)ccc1F	ZINC000793913979	938337657	/nfs/dbraw/zinc/33/76/57/938337657.db2.gz	RUBCGTPVXWBUET-RBSFLKMASA-N	1	0	374.460	1.796	20	30		FDEDRO
C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCc1cc(C#N)ccc1F	ZINC000793913977	938337662	/nfs/dbraw/zinc/33/76/62/938337662.db2.gz	RUBCGTPVXWBUET-QLFBSQMISA-N	1	0	374.460	1.796	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@@](C)(OC)c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129397463	938402753	/nfs/dbraw/zinc/40/27/53/938402753.db2.gz	TZIVARPKQIXIBI-HBFSDRIKSA-N	1	0	369.469	1.758	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)COc2ccc(C)cc2)[C@@H](n2ccnn2)C1	ZINC001129422812	938412466	/nfs/dbraw/zinc/41/24/66/938412466.db2.gz	XRWQXWDMWPLTKJ-MSOLQXFVSA-N	1	0	355.442	1.583	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](n2ccnn2)C1	ZINC001129454066	938421410	/nfs/dbraw/zinc/42/14/10/938421410.db2.gz	VFNNXHVMJBPVHS-CVEARBPZSA-N	1	0	366.897	1.248	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)COc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129438113	938425255	/nfs/dbraw/zinc/42/52/55/938425255.db2.gz	OUSYMAODGZQGFR-QRQLOZEOSA-N	1	0	367.453	1.358	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)COc2cccc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129437895	938425287	/nfs/dbraw/zinc/42/52/87/938425287.db2.gz	IRZDNLJVLWQVLM-MSOLQXFVSA-N	1	0	355.442	1.583	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@@H]1n1ccnn1	ZINC001129481475	938434408	/nfs/dbraw/zinc/43/44/08/938434408.db2.gz	LWHBVNHPZWJQHU-JQHSSLGASA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@@H]1n1ccnn1	ZINC001129482382	938434615	/nfs/dbraw/zinc/43/46/15/938434615.db2.gz	VJLHSAUWFRFZPO-JQHSSLGASA-N	1	0	361.490	1.791	20	30		FDEDRO
CC[C@H](C)C(=O)N1C[C@@H]([NH2+]CC#Cc2ccc(F)cc2)[C@@H](n2ccnn2)C1	ZINC001129582641	938458475	/nfs/dbraw/zinc/45/84/75/938458475.db2.gz	LXRSQMMLQUZDGG-IPELMVKDSA-N	1	0	369.444	1.857	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)n2cccn2)C[C@@H]1n1ccnn1	ZINC001129603976	938463085	/nfs/dbraw/zinc/46/30/85/938463085.db2.gz	RTQLIZAYFJSVAN-KURKYZTESA-N	1	0	371.489	1.824	20	30		FDEDRO
C#CCNc1nc(NC[C@@]2(C)CCCO2)[nH+]c(NC[C@@]2(C)CCCO2)n1	ZINC000804540967	938466764	/nfs/dbraw/zinc/46/67/64/938466764.db2.gz	KGLSCSTZHUNRQU-QZTJIDSGSA-N	1	0	360.462	1.879	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]CCOCc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129667233	938478770	/nfs/dbraw/zinc/47/87/70/938478770.db2.gz	SCCURSOGSICODH-MOPGFXCFSA-N	1	0	369.469	1.803	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C(C)=C2CCCC2)C[C@@H]1n1ccnn1	ZINC001129733376	938496477	/nfs/dbraw/zinc/49/64/77/938496477.db2.gz	SAEQPAZIAIEPIE-MSOLQXFVSA-N	1	0	357.458	1.160	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H]([NH2+]CC2CC(C)(C)C2)[C@@H](n2ccnn2)C1	ZINC001129796061	938509607	/nfs/dbraw/zinc/50/96/07/938509607.db2.gz	ZKVNXTUUQVACTB-JTDSTZFVSA-N	1	0	361.490	1.383	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2coc(C)n2)C[C@@H]1n1ccnn1	ZINC001129770679	938512150	/nfs/dbraw/zinc/51/21/50/938512150.db2.gz	JVTQELMITCCVCI-WBVHZDCISA-N	1	0	358.446	1.976	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H]([NH2+]Cc2ccc(CF)cc2)[C@@H](n2ccnn2)C1	ZINC001129824766	938522687	/nfs/dbraw/zinc/52/26/87/938522687.db2.gz	BBULJGJUVWFMON-MOPGFXCFSA-N	1	0	369.444	1.949	20	30		FDEDRO
CC(C)COCC[NH2+][C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1n1ccnn1	ZINC001129825357	938523267	/nfs/dbraw/zinc/52/32/67/938523267.db2.gz	UMDCSAGMKWZILY-SJORKVTESA-N	1	0	361.490	1.342	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2[nH]cnc2C(C)(C)C)C[C@@H]1n1ccnn1	ZINC001129850098	938527145	/nfs/dbraw/zinc/52/71/45/938527145.db2.gz	RFNXZBQOIMQVBX-KGLIPLIRSA-N	1	0	357.462	1.530	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2[nH]cnc2C(C)(C)C)C[C@@H]1n1ccnn1	ZINC001129857864	938529938	/nfs/dbraw/zinc/52/99/38/938529938.db2.gz	IGPQFXRJQMFHQO-CABCVRRESA-N	1	0	371.489	1.920	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2nn(C)cc2Cl)C[C@@H]1n1ccnn1	ZINC001129864143	938531913	/nfs/dbraw/zinc/53/19/13/938531913.db2.gz	QLTUARHKTVUKTA-KGLIPLIRSA-N	1	0	363.853	1.287	20	30		FDEDRO
C=CCCOCCCCC(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1	ZINC001129838335	938535377	/nfs/dbraw/zinc/53/53/77/938535377.db2.gz	VINPDOOAHKKMDB-CVEARBPZSA-N	1	0	353.442	1.352	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn(C(C)(C)C)c2C)C[C@@H]1n1ccnn1	ZINC001129884844	938539283	/nfs/dbraw/zinc/53/92/83/938539283.db2.gz	TVMGGUNTWXPPOO-SJORKVTESA-N	1	0	369.473	1.217	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H]([NH2+]C[C@@H]2CCOC2)[C@@H](n2ccnn2)C1	ZINC001129867219	938543877	/nfs/dbraw/zinc/54/38/77/938543877.db2.gz	PJMLYCXLKCGMID-JQHSSLGASA-N	1	0	359.474	1.425	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(C)nc(C)c2)C[C@@H]1n1ccnn1	ZINC001129870948	938544517	/nfs/dbraw/zinc/54/45/17/938544517.db2.gz	AUTSIFYNIKLZLT-MSOLQXFVSA-N	1	0	354.458	1.911	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccn(C(F)F)n2)C[C@@H]1n1ccnn1	ZINC001129874694	938545967	/nfs/dbraw/zinc/54/59/67/938545967.db2.gz	NMJSEBJCHQDHBR-KGLIPLIRSA-N	1	0	365.388	1.491	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2CC)C[C@@H]1n1ccnn1	ZINC001129905452	938548551	/nfs/dbraw/zinc/54/85/51/938548551.db2.gz	YJXAZTMONBSJLT-QGTPRVQTSA-N	1	0	371.489	1.584	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3oc(C)nc3c2)C[C@@H]1n1ccnn1	ZINC001129906895	938548748	/nfs/dbraw/zinc/54/87/48/938548748.db2.gz	FXTRNZHIOUCWNI-SJORKVTESA-N	1	0	366.425	1.959	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2C=CCCC2)C[C@@H]1n1ccnn1	ZINC001129907229	938549290	/nfs/dbraw/zinc/54/92/90/938549290.db2.gz	XYCPWMZWUDMDJF-KSZLIROESA-N	1	0	357.458	1.016	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2c(C)noc2C)C[C@@H]1n1ccnn1	ZINC001129914655	938552546	/nfs/dbraw/zinc/55/25/46/938552546.db2.gz	ARQVNDPAUVYNPI-XYPHTWIQSA-N	1	0	370.457	1.442	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccsc2)C[C@@H]1n1ccnn1	ZINC001129914975	938552756	/nfs/dbraw/zinc/55/27/56/938552756.db2.gz	QONUXCFPTHXGIM-HZMVEIRTSA-N	1	0	355.467	1.508	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cncc3C2)C[C@@H]1n1ccnn1	ZINC001129917070	938553809	/nfs/dbraw/zinc/55/38/09/938553809.db2.gz	KFYHBHDVJJGTST-JQHSSLGASA-N	1	0	369.473	1.045	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2nc(CC)c[nH]2)C[C@@H]1n1ccnn1	ZINC001129898150	938558535	/nfs/dbraw/zinc/55/85/35/938558535.db2.gz	OIIXPJIPAIAPBR-OIISXLGYSA-N	1	0	371.489	1.503	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2oc(C(F)F)cc2C)C[C@@H]1n1ccnn1	ZINC001129900089	938559782	/nfs/dbraw/zinc/55/97/82/938559782.db2.gz	ZZLHFZDHRHOZSS-OLZOCXBDSA-N	1	0	363.368	1.796	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(C)c(OC)c2)C[C@@H]1n1ccnn1	ZINC001129932231	938562329	/nfs/dbraw/zinc/56/23/29/938562329.db2.gz	RTCIYRQVWZACAZ-MSOLQXFVSA-N	1	0	367.453	1.203	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(F)cc(C)cc2F)C[C@@H]1n1ccnn1	ZINC001129928923	938572492	/nfs/dbraw/zinc/57/24/92/938572492.db2.gz	VDPDJWOUCQJQBG-CVEARBPZSA-N	1	0	359.380	1.543	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccnc(OC)n2)C[C@@H]1n1ccnn1	ZINC001129928986	938572521	/nfs/dbraw/zinc/57/25/21/938572521.db2.gz	YEIWAGIMQSTXES-IMJJTQAJSA-N	1	0	371.445	1.087	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2([C@H]3CCCCO3)CCC2)C[C@@H]1n1ccnn1	ZINC001129930500	938573139	/nfs/dbraw/zinc/57/31/39/938573139.db2.gz	JUMDOLCYRKVFAW-FGTMMUONSA-N	1	0	371.485	1.382	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc3[nH]nc(C)c3c2)C[C@@H]1n1ccnn1	ZINC001129930817	938573312	/nfs/dbraw/zinc/57/33/12/938573312.db2.gz	WDIFPYANUMXWMY-MSOLQXFVSA-N	1	0	363.425	1.141	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H]([NH2+]CCOCC(F)F)[C@@H](n2ccnn2)C1	ZINC001129957161	938577257	/nfs/dbraw/zinc/57/72/57/938577257.db2.gz	USAGQWWRFMIDSJ-KGLIPLIRSA-N	1	0	371.432	1.504	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]([NH2+]C[C@H](OC)C2CCC2)[C@@H](n2ccnn2)C1	ZINC001129959247	938578007	/nfs/dbraw/zinc/57/80/07/938578007.db2.gz	OHEAZTDZSRWHCS-IKGGRYGDSA-N	1	0	361.490	1.647	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H]([NH2+]CCOC2CCC2)[C@@H](n2ccnn2)C1	ZINC001129975995	938600204	/nfs/dbraw/zinc/60/02/04/938600204.db2.gz	BQRMTMDCFDOHNL-NXHRZFHOSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H]([NH2+]CCOCC2CC2)[C@@H](n2ccnn2)C1	ZINC001129976652	938601031	/nfs/dbraw/zinc/60/10/31/938601031.db2.gz	UJIBNGQLFBQYRD-NXHRZFHOSA-N	1	0	361.490	1.649	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]([NH2+]CC/C=C\CC)[C@@H](n3ccnn3)C2)c1	ZINC001129997529	938605532	/nfs/dbraw/zinc/60/55/32/938605532.db2.gz	QMMPPFCWNDNNFW-WYNBNGFRSA-N	1	0	364.453	1.666	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n3ccnn3)C2)c1	ZINC001129997341	938605552	/nfs/dbraw/zinc/60/55/52/938605552.db2.gz	JABZXWUHRGZANB-WNEUIUNWSA-N	1	0	356.817	1.062	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)CC1	ZINC000804890459	938609745	/nfs/dbraw/zinc/60/97/45/938609745.db2.gz	QDFRNSHDUXHRLI-ILXRZTDVSA-N	1	0	369.556	1.249	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]([NH2+]C[C@H](OCC)C2CC2)[C@@H](n2ccnn2)C1	ZINC001129986692	938610075	/nfs/dbraw/zinc/61/00/75/938610075.db2.gz	JBNPFNGXVLIRLO-SQNIBIBYSA-N	1	0	361.490	1.791	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCCc2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001129990113	938612111	/nfs/dbraw/zinc/61/21/11/938612111.db2.gz	MPXKRPWOLPZPNA-UXHICEINSA-N	1	0	365.481	1.974	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C[C@@H]1n1ccnn1	ZINC001130015253	938616529	/nfs/dbraw/zinc/61/65/29/938616529.db2.gz	OGSLQXRWCLCOMQ-MLHJIOFPSA-N	1	0	369.473	1.123	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc(OCC)c2)C[C@@H]1n1ccnn1	ZINC001130020492	938619290	/nfs/dbraw/zinc/61/92/90/938619290.db2.gz	JFQYRHWNZWSIJE-MSOLQXFVSA-N	1	0	355.442	1.908	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001130022582	938620615	/nfs/dbraw/zinc/62/06/15/938620615.db2.gz	FMQIXUSJNDRGTB-QRQLOZEOSA-N	1	0	351.454	1.755	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2ccnc2)C[C@@H]1n1ccnn1	ZINC001130022824	938621104	/nfs/dbraw/zinc/62/11/04/938621104.db2.gz	NXIOORCEACBTAH-ZACQAIPSSA-N	1	0	357.462	1.434	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCC(C)C)[C@@H](n2ccnn2)C1	ZINC001130009297	938626117	/nfs/dbraw/zinc/62/61/17/938626117.db2.gz	HCCOWPQIOHMDKF-BDXSIMOUSA-N	1	0	361.490	1.647	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2c(C)noc2C)C[C@@H]1n1ccnn1	ZINC001130040984	938627414	/nfs/dbraw/zinc/62/74/14/938627414.db2.gz	WODCALKZJIPPPH-MAZHCROVSA-N	1	0	358.446	1.604	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2cccc(F)c2F)C[C@@H]1n1ccnn1	ZINC001130024262	938628169	/nfs/dbraw/zinc/62/81/69/938628169.db2.gz	PHMNGPWVXPTOTL-CVEARBPZSA-N	1	0	359.380	1.164	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C(C)C)[nH]c2=O)C[C@@H]1n1ccnn1	ZINC001130028388	938630819	/nfs/dbraw/zinc/63/08/19/938630819.db2.gz	QGWYIUDGAPEQRA-SJORKVTESA-N	1	0	368.441	1.181	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2C#N)C1	ZINC000747225769	938638824	/nfs/dbraw/zinc/63/88/24/938638824.db2.gz	BKWXRDOPHNCRLP-HNNXBMFYSA-N	1	0	366.487	1.143	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCOc3ccccc32)C[C@@H]1n1ccnn1	ZINC001130044035	938643071	/nfs/dbraw/zinc/64/30/71/938643071.db2.gz	MWDLBVDXDFHDLY-KURKYZTESA-N	1	0	365.437	1.209	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2ccccc2F)C[C@@H]1n1ccnn1	ZINC001130044044	938643330	/nfs/dbraw/zinc/64/33/30/938643330.db2.gz	NIHNTATTYGNYDV-IPELMVKDSA-N	1	0	369.444	1.976	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](F)CC2CCCCC2)C[C@@H]1n1ccnn1	ZINC001130085985	938667349	/nfs/dbraw/zinc/66/73/49/938667349.db2.gz	GOMDOFXGIMSDAU-KURKYZTESA-N	1	0	361.465	1.951	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn(CCCC)c2C)C[C@@H]1n1ccnn1	ZINC001130077371	938670672	/nfs/dbraw/zinc/67/06/72/938670672.db2.gz	FJHSYNOITXFWGS-MSOLQXFVSA-N	1	0	369.473	1.262	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)CC(C)C)C[C@@H]1n1ccnn1	ZINC001130089055	938675635	/nfs/dbraw/zinc/67/56/35/938675635.db2.gz	WLKJYPPKJNRXMX-KSZLIROESA-N	1	0	363.506	1.895	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(CC)on2)C[C@@H]1n1ccnn1	ZINC001130091128	938676396	/nfs/dbraw/zinc/67/63/96/938676396.db2.gz	BSLVDLFSESIIKZ-XKQJLSEDSA-N	1	0	358.446	1.839	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3cccnc3C2)C[C@@H]1n1ccnn1	ZINC001130105305	938686303	/nfs/dbraw/zinc/68/63/03/938686303.db2.gz	VRKLFTQIWLQOTL-JQHSSLGASA-N	1	0	352.442	1.006	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccnc2OCC)C[C@@H]1n1ccnn1	ZINC001130109640	938688406	/nfs/dbraw/zinc/68/84/06/938688406.db2.gz	DIDCQOCYOZITBC-CVEARBPZSA-N	1	0	356.430	1.303	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@@H]1n1ccnn1	ZINC001130112510	938692129	/nfs/dbraw/zinc/69/21/29/938692129.db2.gz	CXYSZVSGHWKHCJ-IMJJTQAJSA-N	1	0	356.430	1.389	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001130112796	938692665	/nfs/dbraw/zinc/69/26/65/938692665.db2.gz	SDDVNGVBLZDFPW-QRQLOZEOSA-N	1	0	367.453	1.419	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2scnc2Cl)C[C@@H]1n1ccnn1	ZINC001130125291	938695862	/nfs/dbraw/zinc/69/58/62/938695862.db2.gz	GMVAZCWBOTZYLQ-MNOVXSKESA-N	1	0	352.851	1.619	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cn2ccc3ccccc32)C[C@@H]1n1ccnn1	ZINC001130127927	938697637	/nfs/dbraw/zinc/69/76/37/938697637.db2.gz	QAFQJCPKKUUBFY-MJGOQNOKSA-N	1	0	362.437	1.298	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)Cc2ccccc2C)C[C@@H]1n1ccnn1	ZINC001130122898	938705035	/nfs/dbraw/zinc/70/50/35/938705035.db2.gz	AOJSFOQWJAEUHU-MOPGFXCFSA-N	1	0	369.469	1.373	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)COCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130122922	938705103	/nfs/dbraw/zinc/70/51/03/938705103.db2.gz	BNYYSOOXITUAEN-MSOLQXFVSA-N	1	0	355.442	1.413	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C[C@@H]1n1ccnn1	ZINC001130146695	938706723	/nfs/dbraw/zinc/70/67/23/938706723.db2.gz	WTBNHYBFQIXJIG-PTQIDZKGSA-N	1	0	371.485	1.114	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)n2nc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001130148145	938706971	/nfs/dbraw/zinc/70/69/71/938706971.db2.gz	HXSASMFBOWDEMK-KSZLIROESA-N	1	0	371.489	1.660	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)nc2C)C[C@@H]1n1ccnn1	ZINC001130133795	938708488	/nfs/dbraw/zinc/70/84/88/938708488.db2.gz	DBUYNWOQRPHSPB-MSOLQXFVSA-N	1	0	354.458	1.911	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CC2CC(F)(F)C2)[C@@H](n2ccnn2)C1	ZINC001130150851	938715355	/nfs/dbraw/zinc/71/53/55/938715355.db2.gz	CSOHBIVLSWZRAG-YUELXQCFSA-N	1	0	369.416	1.256	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2COc3ccccc32)C[C@@H]1n1ccnn1	ZINC001130151617	938716253	/nfs/dbraw/zinc/71/62/53/938716253.db2.gz	ZVDNXGAIJAOKJU-KURKYZTESA-N	1	0	367.453	1.762	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(C)n(C(C)C)n2)C[C@@H]1n1ccnn1	ZINC001130158627	938720111	/nfs/dbraw/zinc/72/01/11/938720111.db2.gz	OUGVSBVPKIEHSW-MSOLQXFVSA-N	1	0	371.489	1.985	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccnc2)[nH]1	ZINC001130177776	938725634	/nfs/dbraw/zinc/72/56/34/938725634.db2.gz	UEJAGLHLPONKLR-GJZGRUSLSA-N	1	0	356.430	1.168	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCCO2)[nH]1	ZINC001130181942	938729158	/nfs/dbraw/zinc/72/91/58/938729158.db2.gz	YTLRHPYNEIIVPO-ZNMIVQPWSA-N	1	0	363.462	1.028	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cccc(C)c2)n1	ZINC001130187744	938733949	/nfs/dbraw/zinc/73/39/49/938733949.db2.gz	HDBDNDIKPQVLMD-IRXDYDNUSA-N	1	0	367.453	1.529	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C=C2CCCCC2)n1	ZINC001130190553	938735442	/nfs/dbraw/zinc/73/54/42/938735442.db2.gz	FNXLPTUIMKUBNK-HOTGVXAUSA-N	1	0	357.458	1.407	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H](C)OC)n1	ZINC001130193023	938737393	/nfs/dbraw/zinc/73/73/93/938737393.db2.gz	FMXXUQYNLXUILH-AVGNSLFASA-N	1	0	371.869	1.061	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H](C)C(C)C)[nH]1	ZINC001130193271	938737782	/nfs/dbraw/zinc/73/77/82/938737782.db2.gz	PVKXVUPESGBZIE-PMPSAXMXSA-N	1	0	361.490	1.589	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC(C)C)n1	ZINC001130183203	938742797	/nfs/dbraw/zinc/74/27/97/938742797.db2.gz	WCOPBWNRUUGMDL-STQMWFEESA-N	1	0	355.870	1.682	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccc(C)n2)[nH]1	ZINC001130185036	938744200	/nfs/dbraw/zinc/74/42/00/938744200.db2.gz	SZQIYWHIHWTOMX-HOCLYGCPSA-N	1	0	370.457	1.476	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=CC2CC2)[nH]1	ZINC001130203217	938744994	/nfs/dbraw/zinc/74/49/94/938744994.db2.gz	UCDQCXRUPIQJRQ-DKLOGILVSA-N	1	0	359.474	1.815	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[C@H](C)OC)[nH]1	ZINC001130204755	938745649	/nfs/dbraw/zinc/74/56/49/938745649.db2.gz	JDLLUSZJVCCQDN-KKUMJFAQSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccsc2C)[nH]1	ZINC001130209624	938747636	/nfs/dbraw/zinc/74/76/36/938747636.db2.gz	HRRDPFIFLWEXHB-KBPBESRZSA-N	1	0	361.471	1.753	20	30		FDEDRO
C=CCC(CC=C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC#CC)n[nH]1	ZINC001130212897	938749968	/nfs/dbraw/zinc/74/99/68/938749968.db2.gz	JSSDPPIXVLWUKD-IRXDYDNUSA-N	1	0	371.485	1.675	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)COCCCC)[nH]1	ZINC001130202586	938755197	/nfs/dbraw/zinc/75/51/97/938755197.db2.gz	DUKODDFTMVGEHS-GJZGRUSLSA-N	1	0	365.478	1.276	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2[nH]c(C)cc2C)[nH]1	ZINC001130222937	938757112	/nfs/dbraw/zinc/75/71/12/938757112.db2.gz	JDWAJNIXKUUEDQ-KBPBESRZSA-N	1	0	358.446	1.328	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCC(F)F)[nH]1	ZINC001130222746	938757130	/nfs/dbraw/zinc/75/71/30/938757130.db2.gz	CVTXFVVVQFYOJI-RYUDHWBXSA-N	1	0	357.405	1.504	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C23CCC(CC2)C3)[nH]1	ZINC001130223141	938757231	/nfs/dbraw/zinc/75/72/31/938757231.db2.gz	OCBOCEDRODOAGF-FZTQNYJHSA-N	1	0	371.485	1.487	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](F)C(C)C)[nH]1	ZINC001130227635	938761623	/nfs/dbraw/zinc/76/16/23/938761623.db2.gz	IHLPHVJAUFSDFA-OFQRWUPVSA-N	1	0	367.469	1.843	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@@](C)(O)C2CC2)CC1	ZINC001130282323	938779688	/nfs/dbraw/zinc/77/96/88/938779688.db2.gz	SJKGVTGKNOPFTO-LSTHTHJFSA-N	1	0	363.502	1.199	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](Cc2ccccn2)CC1	ZINC001130282386	938779976	/nfs/dbraw/zinc/77/99/76/938779976.db2.gz	UHWBUFJEHWTCSP-BJZITVGISA-N	1	0	369.469	1.217	20	30		FDEDRO
C=CCOCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCC)CC1	ZINC001130269454	938784266	/nfs/dbraw/zinc/78/42/66/938784266.db2.gz	QCCGFIVMKABFAS-APWZRJJASA-N	1	0	351.491	1.465	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCSCC)CC1	ZINC001130274697	938787028	/nfs/dbraw/zinc/78/70/28/938787028.db2.gz	ZJODXTXPJMRLHH-APWZRJJASA-N	1	0	365.543	1.628	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)OCCCC)CC1	ZINC001130276757	938787819	/nfs/dbraw/zinc/78/78/19/938787819.db2.gz	OJHSEVKBLPVLAL-WDYCEAGBSA-N	1	0	363.502	1.300	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC(F)(F)F)CC1	ZINC001130279206	938789384	/nfs/dbraw/zinc/78/93/84/938789384.db2.gz	WDOYPXVOAPUONK-CJNGLKHVSA-N	1	0	359.392	1.438	20	30		FDEDRO
C=C(C)CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](CC)OC)CC1	ZINC001130286062	938790896	/nfs/dbraw/zinc/79/08/96/938790896.db2.gz	WAMKQKJOKDQPKC-AOIWGVFYSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCC)CC1	ZINC001130288047	938792642	/nfs/dbraw/zinc/79/26/42/938792642.db2.gz	INZDRFQTKQTAGP-LSTHTHJFSA-N	1	0	365.518	1.589	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2(C(F)F)CC2)CC1	ZINC001130288445	938793416	/nfs/dbraw/zinc/79/34/16/938793416.db2.gz	PTVFSNJLUVNMQB-HIFRSBDPSA-N	1	0	353.413	1.140	20	30		FDEDRO
CO[C@@H](C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C#CC(C)C)CC1	ZINC001130290505	938795053	/nfs/dbraw/zinc/79/50/53/938795053.db2.gz	ACMCYVZKIHMJBU-VPWXQRGCSA-N	1	0	363.502	1.156	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC)CC1)OCC	ZINC001130290584	938795098	/nfs/dbraw/zinc/79/50/98/938795098.db2.gz	GAYDGVKOJSNWAR-HLIPFELVSA-N	1	0	365.518	1.853	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC(C)C)CC1	ZINC001130290665	938795367	/nfs/dbraw/zinc/79/53/67/938795367.db2.gz	JYCJHKFJHIGYKS-WDYCEAGBSA-N	1	0	363.502	1.156	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1	ZINC001130298805	938798967	/nfs/dbraw/zinc/79/89/67/938798967.db2.gz	HQEMOFAEHBIUEM-GMBSWORKSA-N	1	0	351.491	1.056	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@@H](C)C2CC2)CC1	ZINC001130307459	938805045	/nfs/dbraw/zinc/80/50/45/938805045.db2.gz	QMTNMOFVSATMJQ-FPDPHYFHSA-N	1	0	359.514	1.921	20	30		FDEDRO
COc1ccc(CCNC(=O)[C@H](C#N)C(=O)C2CC[NH+](C3CC3)CC2)cc1	ZINC000805857350	938838843	/nfs/dbraw/zinc/83/88/43/938838843.db2.gz	BNHWZWFUECORRF-LJQANCHMSA-N	1	0	369.465	1.937	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1c1cn(C)cn1	ZINC001130493645	938873274	/nfs/dbraw/zinc/87/32/74/938873274.db2.gz	HTKHCYRHOBJNLB-JKIFEVAISA-N	1	0	370.457	1.468	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CC2CCCC2)C[C@H]1c1cn(C)cn1	ZINC001130480242	938875355	/nfs/dbraw/zinc/87/53/55/938875355.db2.gz	DBUKVDZYBXWZJD-PKOBYXMFSA-N	1	0	358.486	1.534	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2snnc2C)C[C@H]1c1cn(C)cn1	ZINC001130500232	938883758	/nfs/dbraw/zinc/88/37/58/938883758.db2.gz	CNBRKXKFYWRBNI-DZGCQCFKSA-N	1	0	360.487	1.744	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCn2cccn2)C[C@H]1c1cn(C)cn1	ZINC001130500601	938884273	/nfs/dbraw/zinc/88/42/73/938884273.db2.gz	LQURTMBMJBBHQK-FUHWJXTLSA-N	1	0	356.474	1.557	20	30		FDEDRO
C#CCCN1CC[NH+](C[C@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000822784439	945222644	/nfs/dbraw/zinc/22/26/44/945222644.db2.gz	APJNFMAQRSRVAB-FQEVSTJZSA-N	1	0	365.518	1.779	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC1	ZINC000822796620	945232679	/nfs/dbraw/zinc/23/26/79/945232679.db2.gz	ZMPJNQKBMOIZQU-KRWDZBQOSA-N	1	0	365.518	1.498	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCO[C@H](C)CC(C)C)C[C@H]1c1cn(C)cn1	ZINC001130586937	939887480	/nfs/dbraw/zinc/88/74/80/939887480.db2.gz	DAROMZMOLYIMJX-ZIFCJYIRSA-N	1	0	360.502	1.779	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC[C@H](C)F)C1	ZINC001130587574	939888616	/nfs/dbraw/zinc/88/86/16/939888616.db2.gz	SYPGAVUHRLRNNW-YQQAZPJKSA-N	1	0	350.438	1.092	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@@H](F)CC)C1	ZINC001130587728	939888992	/nfs/dbraw/zinc/88/89/92/939888992.db2.gz	YKDWORCXBMWATC-YQQAZPJKSA-N	1	0	350.438	1.092	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnn(CC)n2)C[C@H]1c1cn(C)cn1	ZINC001130578356	939890623	/nfs/dbraw/zinc/89/06/23/939890623.db2.gz	JHTKJINEUIQCLA-RLFYNMQTSA-N	1	0	371.489	1.584	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOCC2CC2)C1	ZINC001130580399	939893099	/nfs/dbraw/zinc/89/30/99/939893099.db2.gz	DLVZPYSRJJRURL-PKOBYXMFSA-N	1	0	358.486	1.534	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1c1cn(C)cn1	ZINC001130590558	939897721	/nfs/dbraw/zinc/89/77/21/939897721.db2.gz	WRPGICPHRWKHRU-DZGCQCFKSA-N	1	0	368.428	1.552	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC/C=C/CC)C1	ZINC001130592868	939900085	/nfs/dbraw/zinc/90/00/85/939900085.db2.gz	IYFQKHBDWYNESM-BIQAKFSOSA-N	1	0	358.486	1.699	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)n(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130594317	939901568	/nfs/dbraw/zinc/90/15/68/939901568.db2.gz	BIYSKMGTNPHWDS-MAUKXSAKSA-N	1	0	368.485	1.498	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2cc(C3CC3)no2)C[C@H]1c1cn(C)cn1	ZINC001130609870	939907668	/nfs/dbraw/zinc/90/76/68/939907668.db2.gz	AYEJQXXECDFYLA-QFBILLFUSA-N	1	0	367.453	1.436	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c(C)ncn2C)C[C@H]1c1cn(C)cn1	ZINC001130612081	939910223	/nfs/dbraw/zinc/91/02/23/939910223.db2.gz	PUPOMQJTTMPDNU-DOTOQJQBSA-N	1	0	356.474	1.626	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOCC(F)F)C1	ZINC001130602667	939914584	/nfs/dbraw/zinc/91/45/84/939914584.db2.gz	MNFXJFKUXKRGJP-GOEBONIOSA-N	1	0	370.444	1.942	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccnn2[C@@H](C)CC)C[C@H]1c1cn(C)cn1	ZINC001130602855	939914608	/nfs/dbraw/zinc/91/46/08/939914608.db2.gz	QKRTYQCNJOJRKI-XYJFISCASA-N	1	0	368.485	1.809	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccn2CC=C)C[C@H]1c1cn(C)cn1	ZINC001130607701	939919296	/nfs/dbraw/zinc/91/92/96/939919296.db2.gz	KIUJQDGLAGEQHL-FUHWJXTLSA-N	1	0	351.454	1.629	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)c(OC)c2)C[C@H]1c1cn(C)cn1	ZINC001130624350	939922179	/nfs/dbraw/zinc/92/21/79/939922179.db2.gz	RNLNZMLHEHWEOM-PKOBYXMFSA-N	1	0	366.465	1.958	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2Cl)C[C@H]1c1cn(C)cn1	ZINC001130615724	939925869	/nfs/dbraw/zinc/92/58/69/939925869.db2.gz	ZRRQNBSATVNNEU-DZGCQCFKSA-N	1	0	360.849	1.028	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2ccncc2)C[C@H]1c1cn(C)cn1	ZINC001130619358	939930151	/nfs/dbraw/zinc/93/01/51/939930151.db2.gz	NWQGFORSPKRKOY-PKOBYXMFSA-N	1	0	351.454	1.355	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2sc(C)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130632963	939936590	/nfs/dbraw/zinc/93/65/90/939936590.db2.gz	XNEDCSVUWRFPCS-DOTOQJQBSA-N	1	0	371.510	1.643	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCF)C1	ZINC001130638052	939940533	/nfs/dbraw/zinc/94/05/33/939940533.db2.gz	ZMIYWLDHQQOIGZ-LESCRADOSA-N	1	0	352.454	1.502	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnc(C)cn2)C1	ZINC001130664338	939957433	/nfs/dbraw/zinc/95/74/33/939957433.db2.gz	ODABDZVWXWXUNU-PKOBYXMFSA-N	1	0	368.485	1.959	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3nonc3c2)C[C@H]1c1cn(C)cn1	ZINC001130659845	939965874	/nfs/dbraw/zinc/96/58/74/939965874.db2.gz	XCOUPVIDPAQJRM-KBXCAEBGSA-N	1	0	364.409	1.177	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)CNC(C)=O)C[C@H]1c1cn(C)cn1	ZINC001130690145	939979953	/nfs/dbraw/zinc/97/99/53/939979953.db2.gz	YXOQNBCZJRCLFT-DOTOQJQBSA-N	1	0	361.490	1.043	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)CCO3)C[C@H]1c1cn(C)cn1	ZINC001130682693	939982363	/nfs/dbraw/zinc/98/23/63/939982363.db2.gz	HWTNRXSAUOTHPI-PKOBYXMFSA-N	1	0	364.449	1.576	20	30		FDEDRO
CCC[C@H](CC)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#CCOC)C1	ZINC001130704095	939984359	/nfs/dbraw/zinc/98/43/59/939984359.db2.gz	CVEUVHXEKDEFHL-JENIJYKNSA-N	1	0	360.502	1.780	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c3cccnc32)C[C@H]1c1cn(C)cn1	ZINC001130709697	939997644	/nfs/dbraw/zinc/99/76/44/939997644.db2.gz	BOTCQJOCUMFNAU-MAUKXSAKSA-N	1	0	362.437	1.518	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cccc2)C[C@H]1c1cn(C)cn1	ZINC001130714728	940006298	/nfs/dbraw/zinc/00/62/98/940006298.db2.gz	IFAXZQDYISXKHA-ZIFCJYIRSA-N	1	0	353.470	1.780	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCCC)C2)cn1	ZINC001130714844	940006882	/nfs/dbraw/zinc/00/68/82/940006882.db2.gz	LRVHIKMINSUXMK-PKOBYXMFSA-N	1	0	351.454	1.794	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2cccc(F)c2)C[C@H]1c1cn(C)cn1	ZINC001130723279	940027935	/nfs/dbraw/zinc/02/79/35/940027935.db2.gz	GWPDGNLGDSICQV-PKOBYXMFSA-N	1	0	354.429	1.709	20	30		FDEDRO
C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000806737212	940032323	/nfs/dbraw/zinc/03/23/23/940032323.db2.gz	QLWVJKSMNRDFOJ-QAPCUYQASA-N	1	0	363.458	1.723	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCO)C2)CCCCC1	ZINC001130733966	940034382	/nfs/dbraw/zinc/03/43/82/940034382.db2.gz	CZZCSHTVXYKQTR-FUHWJXTLSA-N	1	0	360.502	1.823	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCn2cc(C)cn2)C[C@H]1c1cn(C)cn1	ZINC001130734661	940035116	/nfs/dbraw/zinc/03/51/16/940035116.db2.gz	YYXDFJPLJWQQSH-PKOBYXMFSA-N	1	0	370.501	1.866	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)n2nc(C)cc2C)C[C@H]1c1cn(C)cn1	ZINC001130737019	940038475	/nfs/dbraw/zinc/03/84/75/940038475.db2.gz	UZXDAKVDKXUXQU-JENIJYKNSA-N	1	0	370.501	1.955	20	30		FDEDRO
CCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]Cc3ccc(C#N)cc3)O2)n[nH]1	ZINC001130745019	940048869	/nfs/dbraw/zinc/04/88/69/940048869.db2.gz	QTTMOSNJSDSEKS-JKSUJKDBSA-N	1	0	368.441	1.712	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cnn(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130749709	940056008	/nfs/dbraw/zinc/05/60/08/940056008.db2.gz	OCAIIDSLUNMJMP-HHXXYDBFSA-N	1	0	370.501	1.808	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccccn3)n2)O1	ZINC001130749906	940057578	/nfs/dbraw/zinc/05/75/78/940057578.db2.gz	VPNVDSSIIFUSJE-GOEBONIOSA-N	1	0	370.457	1.906	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccccc3)n2)O1	ZINC001130755070	940058847	/nfs/dbraw/zinc/05/88/47/940058847.db2.gz	XZSXIQDVVRCEBM-JKSUJKDBSA-N	1	0	353.426	1.568	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CSCCC)n2)O1	ZINC001130761952	940068458	/nfs/dbraw/zinc/06/84/58/940068458.db2.gz	JLXMMGUZHHLXMS-QWHCGFSZSA-N	1	0	353.492	1.560	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COCCC)n2)O1	ZINC001130759651	940086808	/nfs/dbraw/zinc/08/68/08/940086808.db2.gz	DAWPUQMPTUSDBG-UONOGXRCSA-N	1	0	351.451	1.233	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCSCC)n2)O1	ZINC001130759858	940087257	/nfs/dbraw/zinc/08/72/57/940087257.db2.gz	QESDJRJAVJAJIG-UONOGXRCSA-N	1	0	365.503	1.397	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](CC)OCC)n2)O1	ZINC001130765002	940094304	/nfs/dbraw/zinc/09/43/04/940094304.db2.gz	CJTFGVBWWJLOES-RRFJBIMHSA-N	1	0	365.478	1.622	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCOCC)n2)O1	ZINC001130765282	940095822	/nfs/dbraw/zinc/09/58/22/940095822.db2.gz	KYOKVZODGJTOQT-QWHCGFSZSA-N	1	0	371.869	1.410	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cncnc3C)n2)O1	ZINC001130767157	940099854	/nfs/dbraw/zinc/09/98/54/940099854.db2.gz	AKJKZPNNNZOYIU-DZGCQCFKSA-N	1	0	371.445	1.219	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cccc(C)c3F)n2)O1	ZINC001130785117	940119483	/nfs/dbraw/zinc/11/94/83/940119483.db2.gz	DXFOJWKDKHBTKK-DZGCQCFKSA-N	1	0	371.416	1.625	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccns3)n2)O1	ZINC001130785227	940119523	/nfs/dbraw/zinc/11/95/23/940119523.db2.gz	GUTWKHQVQLTUGS-NWDGAFQWSA-N	1	0	362.459	1.577	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc[nH]c3)n2)O1	ZINC001130785116	940119531	/nfs/dbraw/zinc/11/95/31/940119531.db2.gz	DWBGVVFRRICDOI-LSDHHAIUSA-N	1	0	358.446	1.839	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](CC)SC)n2)O1	ZINC001130777195	940128264	/nfs/dbraw/zinc/12/82/64/940128264.db2.gz	WEGOGLLNNLFHCN-BFHYXJOUSA-N	1	0	367.519	1.948	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(C)=C3CCCC3)n2)O1	ZINC001130777202	940128345	/nfs/dbraw/zinc/12/83/45/940128345.db2.gz	WKXQHEGNHYHYKA-JKSUJKDBSA-N	1	0	357.458	1.754	20	30		FDEDRO
C=CCC(CC=C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1	ZINC001130787202	940154707	/nfs/dbraw/zinc/15/47/07/940154707.db2.gz	DUAIRMFTMNAQFF-LSDHHAIUSA-N	1	0	365.453	1.969	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCC3(F)F)n2)O1	ZINC001130787248	940155569	/nfs/dbraw/zinc/15/55/69/940155569.db2.gz	HGRIKQBRSCLLCR-RWMBFGLXSA-N	1	0	369.416	1.852	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3C=CC=CC=C3)n2)O1	ZINC001130787281	940155910	/nfs/dbraw/zinc/15/59/10/940155910.db2.gz	IUXHRETVEHTILJ-DLBZAZTESA-N	1	0	367.453	1.552	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@]34C[C@@H]3CCCC4)n2)O1	ZINC001130806958	940181601	/nfs/dbraw/zinc/18/16/01/940181601.db2.gz	NUSZDKXQPOPPFI-ZTENYAIWSA-N	1	0	357.458	1.444	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)C(C)(F)F)n2)O1	ZINC001130809103	940185506	/nfs/dbraw/zinc/18/55/06/940185506.db2.gz	HKGAWGAVUALXCS-RWMBFGLXSA-N	1	0	369.416	1.545	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](CCC)OC)n2)O1	ZINC001130799291	940191285	/nfs/dbraw/zinc/19/12/85/940191285.db2.gz	AJAPMCBHJBJRML-ZNMIVQPWSA-N	1	0	363.462	1.069	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)OCC=C)n2)O1	ZINC001130821696	940202818	/nfs/dbraw/zinc/20/28/18/940202818.db2.gz	AFWCFEWTDBOZJK-QLFBSQMISA-N	1	0	363.462	1.398	20	30		FDEDRO
C=CCCOCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C(C)C)O2)n[nH]1	ZINC001130823784	940204012	/nfs/dbraw/zinc/20/40/12/940204012.db2.gz	WXNYYXAWOYECAO-UONOGXRCSA-N	1	0	351.451	1.232	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H](C)COC)n2)O1	ZINC001130813651	940212690	/nfs/dbraw/zinc/21/26/90/940212690.db2.gz	WBHIACMIKDUSMC-SOUVJXGZSA-N	1	0	365.478	1.479	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3nccs3)n2)O1	ZINC001130813785	940213303	/nfs/dbraw/zinc/21/33/03/940213303.db2.gz	XMIYDLWAJJIPDS-NWDGAFQWSA-N	1	0	362.459	1.577	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)CCCOC)n2)O1	ZINC001130815836	940216561	/nfs/dbraw/zinc/21/65/61/940216561.db2.gz	BYZIKQHKGFUUHV-QLFBSQMISA-N	1	0	365.478	1.479	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(Cl)no3)n2)O1	ZINC001130816017	940217547	/nfs/dbraw/zinc/21/75/47/940217547.db2.gz	JUTFKFDZIRCKIT-VHSXEESVSA-N	1	0	366.809	1.372	20	30		FDEDRO
C=CCCOCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC3CC3)O2)n[nH]1	ZINC001130819654	940226078	/nfs/dbraw/zinc/22/60/78/940226078.db2.gz	BKVCJUMWVUJXQQ-LSDHHAIUSA-N	1	0	363.462	1.233	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2C=CCC2)C[C@H]1c1cncn1C	ZINC001130903197	940312085	/nfs/dbraw/zinc/31/20/85/940312085.db2.gz	YKVSQALFXNHHIY-KZNAEPCWSA-N	1	0	356.470	1.310	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2C)C[C@H]1c1cncn1C	ZINC001130908985	940315838	/nfs/dbraw/zinc/31/58/38/940315838.db2.gz	WORNBTYJMOGFRC-IAGOWNOFSA-N	1	0	356.474	1.626	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)/C=C(\C)C2CC2)C[C@H]1c1cncn1C	ZINC001130925117	940321811	/nfs/dbraw/zinc/32/18/11/940321811.db2.gz	SGWGVVPCUKMELV-MGJGCBFKSA-N	1	0	356.470	1.310	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC(F)(F)F)C1	ZINC001130948236	940346572	/nfs/dbraw/zinc/34/65/72/940346572.db2.gz	AZSCZYRZRLIEET-CHWSQXEVSA-N	1	0	360.380	1.459	20	30		FDEDRO
CC(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1c1cncn1C	ZINC001130961897	940367566	/nfs/dbraw/zinc/36/75/66/940367566.db2.gz	XLXPRCNFZYBPSR-NVXWUHKLSA-N	1	0	354.458	1.864	20	30		FDEDRO
CC[C@H](C[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1c1cncn1C)OC	ZINC001130961936	940367587	/nfs/dbraw/zinc/36/75/87/940367587.db2.gz	ZBROGTRSSXRMOF-BFYDXBDKSA-N	1	0	370.457	1.243	20	30		FDEDRO
CC[C@H](F)C[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1c1cncn1C	ZINC001130961877	940367666	/nfs/dbraw/zinc/36/76/66/940367666.db2.gz	WLPARTFTVMOQGO-JGGQBBKZSA-N	1	0	358.421	1.566	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1c1cncn1C	ZINC001130973002	940383504	/nfs/dbraw/zinc/38/35/04/940383504.db2.gz	KWTPAUWOJJFJJW-IAGOWNOFSA-N	1	0	356.474	1.247	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2nccn2CC)C[C@H]1c1cncn1C	ZINC001130972940	940383675	/nfs/dbraw/zinc/38/36/75/940383675.db2.gz	IJYHLYFPOPVGEE-HZPDHXFCSA-N	1	0	356.474	1.801	20	30		FDEDRO
CCc1occc1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CCOC)C1	ZINC001130972932	940383741	/nfs/dbraw/zinc/38/37/41/940383741.db2.gz	IFYYLSCFNYWYSC-IAGOWNOFSA-N	1	0	370.453	1.423	20	30		FDEDRO
C[C@H]1[C@@H](NC(=O)C(=O)Nc2cnn(CC#N)c2)CC[N@@H+]1Cc1ccccc1	ZINC000807544497	940396954	/nfs/dbraw/zinc/39/69/54/940396954.db2.gz	UHKLQHOUZLSIAO-YOEHRIQHSA-N	1	0	366.425	1.124	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cc(C3CC3)nc3c2c(=O)[nH]n3C)CC1	ZINC000747404783	940412970	/nfs/dbraw/zinc/41/29/70/940412970.db2.gz	QELMANOXFFRVMH-UHFFFAOYSA-N	1	0	367.453	1.769	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1	ZINC000747404721	940413076	/nfs/dbraw/zinc/41/30/76/940413076.db2.gz	NYVWTTRRVNKGRI-UHFFFAOYSA-N	1	0	359.382	1.390	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3cn[nH]c32)C[C@H]1c1cncn1C	ZINC001130994054	940416250	/nfs/dbraw/zinc/41/62/50/940416250.db2.gz	CKGLEZJKKQTERF-BRWVUGGUSA-N	1	0	368.485	1.723	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCc2cnn(C)c2)C1	ZINC001131002005	940428620	/nfs/dbraw/zinc/42/86/20/940428620.db2.gz	WJVHPYUUEITUMV-QZTJIDSGSA-N	1	0	370.501	1.637	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2ccn(C)n2)C[C@H]1c1cncn1C	ZINC001131006117	940432614	/nfs/dbraw/zinc/43/26/14/940432614.db2.gz	LYDAIQVMDUPMFH-QZTJIDSGSA-N	1	0	370.501	1.637	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)cc1C#N	ZINC000807664814	940437960	/nfs/dbraw/zinc/43/79/60/940437960.db2.gz	CQWMCMGWDPQOJR-UHFFFAOYSA-N	1	0	372.469	1.421	20	30		FDEDRO
CC(C)[NH+](CCCNC(=O)C(=O)NCc1cc(C#N)ccc1F)C(C)C	ZINC000807665752	940438512	/nfs/dbraw/zinc/43/85/12/940438512.db2.gz	CYVOWMAPBPXCCW-UHFFFAOYSA-N	1	0	362.449	1.939	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCC)C1	ZINC001131010294	940441262	/nfs/dbraw/zinc/44/12/62/940441262.db2.gz	IDRDGGVROXHBFS-KURKYZTESA-N	1	0	357.502	1.202	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccn3c2CCCC3)C[C@H]1c1cncn1C	ZINC001131010550	940441614	/nfs/dbraw/zinc/44/16/14/940441614.db2.gz	QVHCBQMQIVVDJI-QZTJIDSGSA-N	1	0	365.481	1.779	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCF)C2)CCOCC1	ZINC001131010708	940441908	/nfs/dbraw/zinc/44/19/08/940441908.db2.gz	ZHVTZHDUFIQVMZ-HZPDHXFCSA-N	1	0	362.449	1.094	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)n2ccnc2)C[C@H]1c1cncn1C	ZINC001131012939	940444799	/nfs/dbraw/zinc/44/47/99/940444799.db2.gz	TXHPKRAZSIHCHZ-KURKYZTESA-N	1	0	370.501	1.974	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1c1cncn1C	ZINC001131014877	940448272	/nfs/dbraw/zinc/44/82/72/940448272.db2.gz	JEABLUWZOGKMOU-HUUCEWRRSA-N	1	0	356.430	1.080	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(=O)oc2C)C[C@H]1c1cncn1C	ZINC001131025808	940458725	/nfs/dbraw/zinc/45/87/25/940458725.db2.gz	DBZXZRGZVFVRIO-HZPDHXFCSA-N	1	0	370.453	1.764	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCOC2)C1	ZINC001086654094	940462139	/nfs/dbraw/zinc/46/21/39/940462139.db2.gz	AWBXJKYNGKMJBQ-XYJFISCASA-N	1	0	357.454	1.978	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccnc(OC)n2)C[C@H]1c1cncn1C	ZINC001131028956	940463719	/nfs/dbraw/zinc/46/37/19/940463719.db2.gz	SGNPAFHHBMLKLS-GDBMZVCRSA-N	1	0	370.457	1.383	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCn2ccnc2)C[C@H]1c1cncn1C	ZINC001131038152	940466120	/nfs/dbraw/zinc/46/61/20/940466120.db2.gz	BYZPJQRQQXNRDK-RCCFBDPRSA-N	1	0	370.501	1.946	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CCC(F)F)C[C@H]1c1cncn1C	ZINC001131033877	940470292	/nfs/dbraw/zinc/47/02/92/940470292.db2.gz	XQDWAAFJSFOUSM-ZIAGYGMSSA-N	1	0	356.417	1.552	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c(C)cnn2C)C[C@H]1c1cncn1C	ZINC001131046135	940475182	/nfs/dbraw/zinc/47/51/82/940475182.db2.gz	CZFVGILMAUBROR-HZPDHXFCSA-N	1	0	356.474	1.626	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCn2cccn2)C1	ZINC001131057546	940477819	/nfs/dbraw/zinc/47/78/19/940477819.db2.gz	MXJAPLJCPWFJPP-RCCFBDPRSA-N	1	0	370.501	1.803	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccnn2C)C1	ZINC001131055757	940481803	/nfs/dbraw/zinc/48/18/03/940481803.db2.gz	KYGCXAMSMKPINQ-KBAYOESNSA-N	1	0	370.501	1.840	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1c1cncn1C	ZINC001131070434	940484687	/nfs/dbraw/zinc/48/46/87/940484687.db2.gz	VFCMCRXPLPADIJ-IAGOWNOFSA-N	1	0	371.489	1.032	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1c1cncn1C	ZINC001131071952	940485025	/nfs/dbraw/zinc/48/50/25/940485025.db2.gz	FWNXDKIBMIISCD-ZIAGYGMSSA-N	1	0	350.413	1.763	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2cccnc2)C[C@H]1c1cncn1C	ZINC001131072366	940485235	/nfs/dbraw/zinc/48/52/35/940485235.db2.gz	VJAVFJJDBGNJKP-CGTJXYLNSA-N	1	0	369.469	1.743	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnc(C3CC3)nc2)C[C@H]1c1cncn1C	ZINC001131083779	940488948	/nfs/dbraw/zinc/48/89/48/940488948.db2.gz	ANUZABOBYZDFMH-IAGOWNOFSA-N	1	0	364.453	1.309	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2scnc2C2CC2)C[C@H]1c1cncn1C	ZINC001131086328	940493357	/nfs/dbraw/zinc/49/33/57/940493357.db2.gz	MGQDEOVUQANYFQ-HUUCEWRRSA-N	1	0	369.494	1.975	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]cn2)C[C@H]1c1cncn1C	ZINC001131089341	940494547	/nfs/dbraw/zinc/49/45/47/940494547.db2.gz	BIWCZJFZNKNROK-CGTJXYLNSA-N	1	0	370.501	1.872	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)CNC(C)=O)C[C@H]1c1cncn1C	ZINC001131089494	940494675	/nfs/dbraw/zinc/49/46/75/940494675.db2.gz	JXYRUURCPKAMAO-HZPDHXFCSA-N	1	0	361.490	1.043	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2ccco2)C[C@H]1c1cncn1C	ZINC001131089693	940494995	/nfs/dbraw/zinc/49/49/95/940494995.db2.gz	UQOBILGIJXKYJU-KBAYOESNSA-N	1	0	354.454	1.799	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn(CC3CC3)nn2)C[C@H]1c1cncn1C	ZINC001131096876	940497502	/nfs/dbraw/zinc/49/75/02/940497502.db2.gz	OOQMAGHVGSBRFC-HZPDHXFCSA-N	1	0	369.473	1.196	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCCn2cncn2)C[C@H]1c1cncn1C	ZINC001131103722	940501240	/nfs/dbraw/zinc/50/12/40/940501240.db2.gz	ZRKQIHGRUSLJAY-IAGOWNOFSA-N	1	0	371.489	1.342	20	30		FDEDRO
C[NH+](C)CCN1c2ccccc2C(=NNC(=S)Nc2ccccn2)C1=O	ZINC000807977973	940503582	/nfs/dbraw/zinc/50/35/82/940503582.db2.gz	FUKYIPAKWRXFEY-UHFFFAOYSA-N	1	0	368.466	1.681	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCCn2cccn2)C[C@H]1c1cncn1C	ZINC001131123536	940507142	/nfs/dbraw/zinc/50/71/42/940507142.db2.gz	KDWIMMMQYSYCMS-QZTJIDSGSA-N	1	0	370.501	1.947	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)COCc2cccnc2)C[C@H]1c1cncn1C	ZINC001131115279	940508868	/nfs/dbraw/zinc/50/88/68/940508868.db2.gz	IGWGADZCYIOKIN-IAGOWNOFSA-N	1	0	355.442	1.102	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc(OCC)cn2)C[C@H]1c1cncn1C	ZINC001131138622	940509529	/nfs/dbraw/zinc/50/95/29/940509529.db2.gz	LKSIMTABPLWVCE-GDBMZVCRSA-N	1	0	370.457	1.383	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC23CCOCC3)C[C@H]1c1cncn1C	ZINC001131136267	940513373	/nfs/dbraw/zinc/51/33/73/940513373.db2.gz	DZXQKKFQRHWBCO-BRWVUGGUSA-N	1	0	356.470	1.144	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2cncc(F)c2)C[C@H]1c1cncn1C	ZINC001131136485	940513432	/nfs/dbraw/zinc/51/34/32/940513432.db2.gz	PFJRNHSZKSPCGF-QZTJIDSGSA-N	1	0	369.444	1.494	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)n(C(C)C)n2)C[C@H]1c1cncn1C	ZINC001131136378	940513504	/nfs/dbraw/zinc/51/35/04/940513504.db2.gz	KMFDAJARAYLQOH-SJLPKXTDSA-N	1	0	368.485	1.727	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)C1CCCC1	ZINC000808059214	940514546	/nfs/dbraw/zinc/51/45/46/940514546.db2.gz	OIOGSMPIYSNNTJ-RBUKOAKNSA-N	1	0	353.466	1.952	20	30		FDEDRO
Cc1c(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)nnn1C	ZINC001086663955	940544516	/nfs/dbraw/zinc/54/45/16/940544516.db2.gz	PLJHUHPEBKTVLT-GOEBONIOSA-N	1	0	370.432	1.823	20	30		FDEDRO
CC(C)C#CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCC(C)C)C[C@H]32)C1	ZINC001131306905	940548709	/nfs/dbraw/zinc/54/87/09/940548709.db2.gz	BTTBVHMJOAPAOO-KSZLIROESA-N	1	0	361.486	1.798	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCOCC)C1	ZINC001131307007	940548770	/nfs/dbraw/zinc/54/87/70/940548770.db2.gz	FNDGHDJSNCDCPS-BBWFWOEESA-N	1	0	365.474	1.485	20	30		FDEDRO
C=C(C)CN1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1	ZINC001131316749	940551045	/nfs/dbraw/zinc/55/10/45/940551045.db2.gz	ULPIWZQMUJCPME-BBWFWOEESA-N	1	0	364.490	1.010	20	30		FDEDRO
C=CCCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1	ZINC001131364704	940556787	/nfs/dbraw/zinc/55/67/87/940556787.db2.gz	VSKAZEPEPOKCRH-HZPDHXFCSA-N	1	0	359.474	1.130	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2CCC2)CC1	ZINC001131401460	940561441	/nfs/dbraw/zinc/56/14/41/940561441.db2.gz	AAICGVNKJCRLNG-QGTPRVQTSA-N	1	0	363.502	1.463	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCCC)CC1	ZINC001131426534	940566819	/nfs/dbraw/zinc/56/68/19/940566819.db2.gz	HIOBOEHLUDCSTR-XLIONFOSSA-N	1	0	363.502	1.302	20	30		FDEDRO
CC(C)OCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CSCC#N)CC1	ZINC001131429378	940567302	/nfs/dbraw/zinc/56/73/02/940567302.db2.gz	BJOWJFWYTBYHCD-AEFFLSMTSA-N	1	0	369.531	1.654	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ncccc3C)C2)C1=O	ZINC001086669347	940598926	/nfs/dbraw/zinc/59/89/26/940598926.db2.gz	ZVYKLEJKVLDFLC-GVDBMIGSSA-N	1	0	356.470	1.665	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H]2CCCO2)CC1	ZINC001131436834	940599894	/nfs/dbraw/zinc/59/98/94/940599894.db2.gz	DCGLVEBVQHYUEG-GGPKGHCWSA-N	1	0	364.486	1.191	20	30		FDEDRO
C=CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N(CC)CC)CC1	ZINC001131448593	940602259	/nfs/dbraw/zinc/60/22/59/940602259.db2.gz	HEVWXXVLYNUQAM-XLIONFOSSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cccnc2)CC1	ZINC001131454371	940609018	/nfs/dbraw/zinc/60/90/18/940609018.db2.gz	YIVZGKYFXBMMAK-QUCCMNQESA-N	1	0	359.470	1.770	20	30		FDEDRO
C#CCCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H]2CCNC2=O)CC1	ZINC001131476182	940619497	/nfs/dbraw/zinc/61/94/97/940619497.db2.gz	VBWHBTHSASUAFK-LMMKCTJWSA-N	1	0	361.486	1.054	20	30		FDEDRO
COCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1	ZINC001131464559	940622136	/nfs/dbraw/zinc/62/21/36/940622136.db2.gz	VQWDMFQQVYKQLQ-AEFFLSMTSA-N	1	0	360.458	1.522	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)/C(C)=C\C)CC1	ZINC001131467679	940624115	/nfs/dbraw/zinc/62/41/15/940624115.db2.gz	KVWNFFIMSZQCAB-KWBLMNONSA-N	1	0	363.502	1.629	20	30		FDEDRO
C#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H]2CCCNC2=O)CC1	ZINC001131487916	940631638	/nfs/dbraw/zinc/63/16/38/940631638.db2.gz	NNOONFQLPBKJOI-AOIWGVFYSA-N	1	0	361.486	1.054	20	30		FDEDRO
CC[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C#CC(C)(C)C)CC1)C(N)=O	ZINC001131495770	940647192	/nfs/dbraw/zinc/64/71/92/940647192.db2.gz	DLTXOHDJRVAXFZ-NUJGCVRESA-N	1	0	363.502	1.286	20	30		FDEDRO
C#CCOCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCCOC)CC1	ZINC001131498733	940648852	/nfs/dbraw/zinc/64/88/52/940648852.db2.gz	KYPDTIXJIKMEFV-QUCCMNQESA-N	1	0	366.502	1.439	20	30		FDEDRO
C=CCN(C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)C	ZINC000808900901	940650362	/nfs/dbraw/zinc/65/03/62/940650362.db2.gz	ZSZVXJDVPJWAAV-LJQANCHMSA-N	1	0	373.497	1.817	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCC)CC1	ZINC001131502349	940652594	/nfs/dbraw/zinc/65/25/94/940652594.db2.gz	AZENAYGFGWTCPY-NXHRZFHOSA-N	1	0	352.475	1.047	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cccnc2)CC1	ZINC001131502595	940653238	/nfs/dbraw/zinc/65/32/38/940653238.db2.gz	GBTDYZQAYXRHQA-AHRSYUTCSA-N	1	0	371.481	1.606	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOC)CC1)OCC	ZINC001131510614	940659950	/nfs/dbraw/zinc/65/99/50/940659950.db2.gz	SLZZMJOWRKZUPP-GGPKGHCWSA-N	1	0	368.518	1.990	20	30		FDEDRO
C#CCO[C@H](C)C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1	ZINC000822967250	945340219	/nfs/dbraw/zinc/34/02/19/945340219.db2.gz	WLTXNOHWEUWCAB-OAHLLOKOSA-N	1	0	357.454	1.403	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)CC(N)=O)CC1	ZINC001131541364	940715416	/nfs/dbraw/zinc/71/54/16/940715416.db2.gz	KVPFRTJFMGFITB-LESCRADOSA-N	1	0	351.491	1.450	20	30		FDEDRO
C=CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H]2CCCNC2=O)CC1	ZINC001131555506	940730642	/nfs/dbraw/zinc/73/06/42/940730642.db2.gz	IZDZEHRSQVSVPK-LMMKCTJWSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N(C)C)CC1	ZINC001131557986	940732403	/nfs/dbraw/zinc/73/24/03/940732403.db2.gz	AMWCRBWYSSCFPC-IMFGXOCKSA-N	1	0	365.518	1.663	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+][C@@H](C)COC)CC2)c1	ZINC001131561752	940735041	/nfs/dbraw/zinc/73/50/41/940735041.db2.gz	CINXZJPWOYEZRC-BEVDRBHNSA-N	1	0	371.481	1.697	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c(C)nc[nH]c2=O)CC1	ZINC001131547864	940736735	/nfs/dbraw/zinc/73/67/35/940736735.db2.gz	HHIURKFHCBBYLU-WBVHZDCISA-N	1	0	358.442	1.113	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c[nH]c(=O)cn2)CC1	ZINC001131550226	940739092	/nfs/dbraw/zinc/73/90/92/940739092.db2.gz	OUFPQOYPUZIDEY-QAPCUYQASA-N	1	0	360.458	1.335	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCF)CC1	ZINC001131568175	940743767	/nfs/dbraw/zinc/74/37/67/940743767.db2.gz	ZJHORXICVVUDEY-BDXSIMOUSA-N	1	0	354.466	1.923	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COC[C@@H]2CCOC2)CC1	ZINC001131573271	940749193	/nfs/dbraw/zinc/74/91/93/940749193.db2.gz	VHHVCHSIROIPCX-POAQFYNOSA-N	1	0	366.502	1.601	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](CC(=C)C)NC(C)=O)CC1	ZINC001131575396	940752621	/nfs/dbraw/zinc/75/26/21/940752621.db2.gz	VXPMKVRSVMTFDD-QYZOEREBSA-N	1	0	363.502	1.629	20	30		FDEDRO
C=CCn1cc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCCF)CC2)nn1	ZINC001131577674	940754541	/nfs/dbraw/zinc/75/45/41/940754541.db2.gz	AZBKHCABCPPLHP-WBVHZDCISA-N	1	0	365.453	1.423	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)OCCOC)CC1	ZINC001131577743	940754731	/nfs/dbraw/zinc/75/47/31/940754731.db2.gz	FDUWHSHUXSZZMA-QRQLOZEOSA-N	1	0	368.518	1.990	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(C(=O)N(C)C)CC2)CC1	ZINC001131590466	940759787	/nfs/dbraw/zinc/75/97/87/940759787.db2.gz	CDACZZAZIUJXGH-SJORKVTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCCC(N)=O)CC1	ZINC001131590527	940760285	/nfs/dbraw/zinc/76/02/85/940760285.db2.gz	GWEIGUCJHWFPQX-APWZRJJASA-N	1	0	351.491	1.594	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(C(=O)NC)CC2)CC1	ZINC001131579866	940765795	/nfs/dbraw/zinc/76/57/95/940765795.db2.gz	AVWLQMSSDXBJNH-CABCVRRESA-N	1	0	369.893	1.251	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccnc2N(C)C)CC1	ZINC001131605122	940775256	/nfs/dbraw/zinc/77/52/56/940775256.db2.gz	XVVQTZFHTPFULB-MOPGFXCFSA-N	1	0	370.497	1.770	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc[nH]c(=O)c3)C2)C1=O	ZINC001086671979	940779441	/nfs/dbraw/zinc/77/94/41/940779441.db2.gz	ZLYLWYHWHOASNW-NUEKZKHPSA-N	1	0	358.442	1.062	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn(C)c2OC)CC1	ZINC001131599672	940783021	/nfs/dbraw/zinc/78/30/21/940783021.db2.gz	GBFXOXIBIGOGCW-SJORKVTESA-N	1	0	362.474	1.604	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCCC(=O)NC)CC1	ZINC001131610487	940790378	/nfs/dbraw/zinc/79/03/78/940790378.db2.gz	SGXADILOICSVAH-XLIONFOSSA-N	1	0	363.502	1.302	20	30		FDEDRO
C=CCCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)COC)CC1	ZINC001131610363	940790516	/nfs/dbraw/zinc/79/05/16/940790516.db2.gz	NEXOJQQILXTTJS-WDYCEAGBSA-N	1	0	354.491	1.600	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)[C@@H]1CCCO1	ZINC000809305339	940810213	/nfs/dbraw/zinc/81/02/13/940810213.db2.gz	BOQQADXOBMZQQD-MOPGFXCFSA-N	1	0	369.465	1.018	20	30		FDEDRO
COc1coc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)cc1=O	ZINC001086673425	940836281	/nfs/dbraw/zinc/83/62/81/940836281.db2.gz	HCVSUFBJYQTVMC-QWHCGFSZSA-N	1	0	370.409	1.536	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1C#N	ZINC000809504111	940845902	/nfs/dbraw/zinc/84/59/02/940845902.db2.gz	GKILQQSBCVIVDY-DOTOQJQBSA-N	1	0	370.453	1.126	20	30		FDEDRO
CCS(=O)(=O)NC1CC[NH+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1	ZINC000809736426	940888746	/nfs/dbraw/zinc/88/87/46/940888746.db2.gz	UOTVPOJRDLVOCD-AWEZNQCLSA-N	1	0	351.472	1.881	20	30		FDEDRO
CCc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)s1	ZINC001086676501	940948745	/nfs/dbraw/zinc/94/87/45/940948745.db2.gz	GWRIBLMIZWGYMV-WCQYABFASA-N	1	0	358.471	1.989	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)CC1	ZINC000810060426	940950008	/nfs/dbraw/zinc/95/00/08/940950008.db2.gz	SMXGJHCRONCMMC-UYAOXDASSA-N	1	0	374.916	1.452	20	30		FDEDRO
CCn1nncc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC001086690405	941099620	/nfs/dbraw/zinc/09/96/20/941099620.db2.gz	JXBBQFUSKMQWNL-GOEBONIOSA-N	1	0	370.432	1.997	20	30		FDEDRO
C#Cc1ccccc1CC(=O)OCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1	ZINC000811260170	941109490	/nfs/dbraw/zinc/10/94/90/941109490.db2.gz	YFPYUBOIDKMLAI-IBGZPJMESA-N	1	0	372.465	1.227	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C)nn3)C2)C1=O	ZINC001086694370	941127196	/nfs/dbraw/zinc/12/71/96/941127196.db2.gz	OQXZAFXHCKKTBD-ZMSDIMECSA-N	1	0	357.458	1.060	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnn(CC)n2)C1	ZINC001086699104	941170096	/nfs/dbraw/zinc/17/00/96/941170096.db2.gz	ULMNHAIRUJFFQQ-IDCNUPLLSA-N	1	0	361.490	1.654	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(=O)NCCc2ccc(C(C)C)cc2)CC1	ZINC000747820271	941274792	/nfs/dbraw/zinc/27/47/92/941274792.db2.gz	RRKPLUWPGZPSDF-UHFFFAOYSA-N	1	0	369.509	1.930	20	30		FDEDRO
CC1(C)[C@H](O)CC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000812865391	941289115	/nfs/dbraw/zinc/28/91/15/941289115.db2.gz	NSWNWULJHJJLDX-QZTJIDSGSA-N	1	0	374.460	1.380	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F	ZINC001133629019	941339706	/nfs/dbraw/zinc/33/97/06/941339706.db2.gz	JVUUAALWJTUOMY-JHJVBQTASA-N	1	0	351.397	1.465	20	30		FDEDRO
COCCCN(C(=O)C#Cc1ccc2c(c1)OCO2)C1CC[NH+](C)CC1	ZINC000813291610	941356961	/nfs/dbraw/zinc/35/69/61/941356961.db2.gz	WARIMJGLHKRCJR-UHFFFAOYSA-N	1	0	358.438	1.726	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC(=O)N(C)C2)C1	ZINC001086710618	941359487	/nfs/dbraw/zinc/35/94/87/941359487.db2.gz	GPVWIJGCLJGICX-RWMBFGLXSA-N	1	0	358.280	1.248	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCc1ccc(CC)s1	ZINC001134054213	941530715	/nfs/dbraw/zinc/53/07/15/941530715.db2.gz	AHLAIIVCMSFMDR-CVEARBPZSA-N	1	0	365.499	1.224	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1	ZINC001134052767	941539587	/nfs/dbraw/zinc/53/95/87/941539587.db2.gz	BCGPTJJUDBHHCZ-XYPHTWIQSA-N	1	0	366.483	1.448	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)COc1cc(C)cc(C)c1	ZINC001134062306	941541290	/nfs/dbraw/zinc/54/12/90/941541290.db2.gz	WGBUZEFDFGWEAR-QRQLOZEOSA-N	1	0	362.470	1.340	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnn(CC)n2)C1	ZINC001086717956	941567273	/nfs/dbraw/zinc/56/72/73/941567273.db2.gz	ZCNKGJLWBKTBJL-JKSUJKDBSA-N	1	0	356.474	1.974	20	30		FDEDRO
C#C[C@H](NC(=O)NCC(=O)NCC[NH+]1CCCCCC1)c1ccc(F)cc1	ZINC000814340018	941616707	/nfs/dbraw/zinc/61/67/07/941616707.db2.gz	SBPBAAHHEPATTQ-SFHVURJKSA-N	1	0	374.460	1.791	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(C)ncn2)C1	ZINC001086721209	941644694	/nfs/dbraw/zinc/64/46/94/941644694.db2.gz	LNRJRDFVDFPMGY-SCTDSRPQSA-N	1	0	355.486	1.257	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2OCCO[C@H]2C)C1	ZINC001086721723	941649460	/nfs/dbraw/zinc/64/94/60/941649460.db2.gz	PHQQGQIISHYYGD-FQUUOJAGSA-N	1	0	361.280	1.573	20	30		FDEDRO
C=C[C@@H](O)C(=O)OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1	ZINC000814549039	941674789	/nfs/dbraw/zinc/67/47/89/941674789.db2.gz	ARZHBEVANUGZJO-OAHLLOKOSA-N	1	0	350.440	1.264	20	30		FDEDRO
N#Cc1cccc(OCC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1	ZINC000217085904	941688515	/nfs/dbraw/zinc/68/85/15/941688515.db2.gz	HCTVQCJBLUYBBB-LJQANCHMSA-N	1	0	365.433	1.472	20	30		FDEDRO
C[NH+](C)CCCNC(=S)NN=C1COc2ccc(Br)cc21	ZINC000814845096	941730953	/nfs/dbraw/zinc/73/09/53/941730953.db2.gz	GGACPQUYKQWMQK-UHFFFAOYSA-N	1	0	371.304	1.961	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@H](C)C2CCN(CC(F)(F)F)CC2)CC1	ZINC000815109880	941785613	/nfs/dbraw/zinc/78/56/13/941785613.db2.gz	APHKVOHMNGADGZ-OAHLLOKOSA-N	1	0	374.451	1.016	20	30		FDEDRO
CCc1ccc(C#CC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1	ZINC000815243218	941815001	/nfs/dbraw/zinc/81/50/01/941815001.db2.gz	CPIUZVJRQNUSCF-IBGZPJMESA-N	1	0	355.482	1.659	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCc1ccccc1	ZINC001135058600	941873941	/nfs/dbraw/zinc/87/39/41/941873941.db2.gz	XNXNQDBRMDQDSW-HKUYNNGSSA-N	1	0	359.470	1.380	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N(C)c1ccccc1	ZINC001135058519	941874096	/nfs/dbraw/zinc/87/40/96/941874096.db2.gz	UVXNGICSRNZWGI-HKUYNNGSSA-N	1	0	359.470	1.727	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cccc(C)c1	ZINC001135120967	941926229	/nfs/dbraw/zinc/92/62/29/941926229.db2.gz	DXBDXZRLNRFARS-ZWKOTPCHSA-N	1	0	356.470	1.567	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N(C)C1CCC(C)CC1	ZINC001135145500	941929008	/nfs/dbraw/zinc/92/90/08/941929008.db2.gz	LMKMMOHNGLIEOO-AKSNENBUSA-N	1	0	365.518	1.711	20	30		FDEDRO
C#CCN(C)CCC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C	ZINC000815652675	941933688	/nfs/dbraw/zinc/93/36/88/941933688.db2.gz	MVFUJEOEXSGVEW-GVDBMIGSSA-N	1	0	353.507	1.849	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)OC(CC)(CC)O2	ZINC000815860712	941995966	/nfs/dbraw/zinc/99/59/66/941995966.db2.gz	XLSGTLBDGIRBAP-UHFFFAOYSA-N	1	0	373.453	1.984	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2cc(OC)ccc2c1	ZINC000815861725	941996885	/nfs/dbraw/zinc/99/68/85/941996885.db2.gz	WMUZAPFATXGOIO-UHFFFAOYSA-N	1	0	353.422	1.858	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(-n2cccn2)ccc1C	ZINC000815861753	941996921	/nfs/dbraw/zinc/99/69/21/941996921.db2.gz	YKGYRURUTBOPKY-UHFFFAOYSA-N	1	0	353.426	1.191	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cnccc1-c1ccccc1	ZINC000815861586	941996950	/nfs/dbraw/zinc/99/69/50/941996950.db2.gz	OYLCHEKQDNAQAC-UHFFFAOYSA-N	1	0	350.422	1.758	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(C(C)C)cc1C(=O)OC	ZINC000815861615	941997067	/nfs/dbraw/zinc/99/70/67/941997067.db2.gz	QRHVMSSWCJEHKB-UHFFFAOYSA-N	1	0	373.453	1.606	20	30		FDEDRO
Cn1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)cc1=O	ZINC001086735666	942102789	/nfs/dbraw/zinc/10/27/89/942102789.db2.gz	IICQGPDHZKTDQF-PKOBYXMFSA-N	1	0	364.449	1.945	20	30		FDEDRO
CCN1CCOC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001086738784	942154208	/nfs/dbraw/zinc/15/42/08/942154208.db2.gz	QXUIEMLYYISBOG-ZCNNSNEGSA-N	1	0	370.497	1.653	20	30		FDEDRO
O=C(NCCNC(=O)C1N=CC=CC1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000816923544	942383271	/nfs/dbraw/zinc/38/32/71/942383271.db2.gz	KZYUMFOHIIWNDK-MXLIYFDZSA-N	1	0	368.437	1.151	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2COCCN2CC(F)F)C1	ZINC001086767738	942442953	/nfs/dbraw/zinc/44/29/53/942442953.db2.gz	YUNWISYIRWPDDW-MJBXVCDLSA-N	1	0	365.852	1.579	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NC(C)C	ZINC001170853119	942486086	/nfs/dbraw/zinc/48/60/86/942486086.db2.gz	NJAUPWOULYYSHY-BBWFWOEESA-N	1	0	353.507	1.757	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(=O)cn3)C2)cc1	ZINC001086788254	942522629	/nfs/dbraw/zinc/52/26/29/942522629.db2.gz	HKWIIJOAERUBFR-JKSUJKDBSA-N	1	0	351.410	1.330	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)c1	ZINC000817844410	943006774	/nfs/dbraw/zinc/00/67/74/943006774.db2.gz	UEMQTXGEXHFOMJ-UHFFFAOYSA-N	1	0	353.422	1.468	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1	ZINC000817846430	943008988	/nfs/dbraw/zinc/00/89/88/943008988.db2.gz	RSCAHCMIOWKXSX-IBGZPJMESA-N	1	0	353.466	1.761	20	30		FDEDRO
CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)[C@H]([NH3+])CCCC#N	ZINC000818123784	943188526	/nfs/dbraw/zinc/18/85/26/943188526.db2.gz	ZVIQCTGNTUTGJL-GFCCVEGCSA-N	1	0	373.862	1.723	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)ccc1F	ZINC000818563517	943286546	/nfs/dbraw/zinc/28/65/46/943286546.db2.gz	ODKROCGHNKUVMC-VXGBXAGGSA-N	1	0	355.435	1.099	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@H]1CC(=O)N(c2cc(OC)cc(OC)c2)C1	ZINC000818584391	943294088	/nfs/dbraw/zinc/29/40/88/943294088.db2.gz	LUFJDKWPHLWVHR-HNNXBMFYSA-N	1	0	373.453	1.128	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(OC)cc1	ZINC000818588992	943297334	/nfs/dbraw/zinc/29/73/34/943297334.db2.gz	MCAZUPUFJKQUNF-MJGOQNOKSA-N	1	0	357.454	1.286	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1cccc(-c2nnc(CCOC)o2)c1	ZINC000818609475	943330780	/nfs/dbraw/zinc/33/07/80/943330780.db2.gz	ZFKNKKROOOYPHX-UHFFFAOYSA-N	1	0	356.426	1.610	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1cc(Br)cc(C(=O)OC)c1	ZINC000818608956	943331040	/nfs/dbraw/zinc/33/10/40/943331040.db2.gz	AXWSHEXSYUFCIY-UHFFFAOYSA-N	1	0	367.243	1.921	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@@H]1COc2ccc(Br)cc21	ZINC000818609451	943331176	/nfs/dbraw/zinc/33/11/76/943331176.db2.gz	XTIFDFMIIGDESH-CQSZACIVSA-N	1	0	351.244	1.996	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2cccnc2-n2ccnc2)cc1	ZINC000818947142	943358332	/nfs/dbraw/zinc/35/83/32/943358332.db2.gz	JMFHOZBVCHZNMZ-SFHVURJKSA-N	1	0	363.421	1.863	20	30		FDEDRO
Cc1ccc(OC[C@H](O)C[NH2+]CCNC(=O)C2N=CC=CC2=O)c(C)c1	ZINC000819048728	943394477	/nfs/dbraw/zinc/39/44/77/943394477.db2.gz	AOVMGKNQZKSWKQ-AMGRQBIBSA-N	1	0	359.426	1.159	20	30		FDEDRO
O=C(NCC[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)C1N=CC=CC1=O	ZINC000819050887	943395202	/nfs/dbraw/zinc/39/52/02/943395202.db2.gz	XNQGCKCFRMTPLO-HDUPEWFZSA-N	1	0	353.781	1.629	20	30		FDEDRO
O=C(NCC[NH2+]C[C@H](O)COc1ccc(Cl)cc1)C1N=CC=CC1=O	ZINC000819052320	943396233	/nfs/dbraw/zinc/39/62/33/943396233.db2.gz	CLQCWNKQPFBGME-CMTMBAJVSA-N	1	0	365.817	1.196	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)cc1	ZINC000819060835	943400186	/nfs/dbraw/zinc/40/01/86/943400186.db2.gz	IOORQHIHVDZRES-TZIWHRDSSA-N	1	0	373.497	1.725	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]C[C@@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C	ZINC000819083153	943413351	/nfs/dbraw/zinc/41/33/51/943413351.db2.gz	WCQBXYUREPZERV-UONOGXRCSA-N	1	0	353.463	1.476	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[NH2+][C@H]2CC(=O)N(CCOc3ccccc3)C2)cc1	ZINC000819100504	943420903	/nfs/dbraw/zinc/42/09/03/943420903.db2.gz	HGFXLENXKVHNLS-AZUAARDMSA-N	1	0	365.433	1.861	20	30		FDEDRO
CC[C@H](C#N)Oc1cc(C[NH2+]C[C@@H](O)CN2CCOCC2)ccc1OC	ZINC000819070673	943428965	/nfs/dbraw/zinc/42/89/65/943428965.db2.gz	YUYQPTNSWFNGJI-IAGOWNOFSA-N	1	0	363.458	1.159	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000819079887	943432747	/nfs/dbraw/zinc/43/27/47/943432747.db2.gz	XZHOYOBCBUYFSV-MRXNPFEDSA-N	1	0	361.442	1.701	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC[C@H]3CCOC3)C2)nn1	ZINC001086825071	943437845	/nfs/dbraw/zinc/43/78/45/943437845.db2.gz	OXPFDSJZKLWNTJ-YESZJQIVSA-N	1	0	361.490	1.769	20	30		FDEDRO
C#CCCCC[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C	ZINC000819153443	943443029	/nfs/dbraw/zinc/44/30/29/943443029.db2.gz	FCIHEMRWTHOCDU-UHFFFAOYSA-N	1	0	372.512	1.104	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H](C)c3ncccn3)C2)nn1	ZINC001086825208	943443677	/nfs/dbraw/zinc/44/36/77/943443677.db2.gz	XXBRLJZITQIZSC-HRCADAONSA-N	1	0	369.473	1.894	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000819164670	943456461	/nfs/dbraw/zinc/45/64/61/943456461.db2.gz	XMLAHRKGYVVMRB-UKRRQHHQSA-N	1	0	350.463	1.926	20	30		FDEDRO
C[C@H]1CN(CCNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CCO1	ZINC000819211117	943487957	/nfs/dbraw/zinc/48/79/57/943487957.db2.gz	SLGGFOJSMHPVKP-LSDHHAIUSA-N	1	0	368.478	1.410	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H]2COC3(CCCCC3)O2)cc1	ZINC000819210553	943488610	/nfs/dbraw/zinc/48/86/10/943488610.db2.gz	WISVKRBWRBQNHX-INIZCTEOSA-N	1	0	364.467	1.997	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]CCOc1ccc(I)cc1	ZINC000819290061	943504342	/nfs/dbraw/zinc/50/43/42/943504342.db2.gz	BYMNXJXNJOIRRC-UHFFFAOYSA-N	1	0	372.206	1.399	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1	ZINC000819297469	943508828	/nfs/dbraw/zinc/50/88/28/943508828.db2.gz	RELMDLPFHZSPDZ-UHFFFAOYSA-N	1	0	362.373	1.338	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC)nn2)C1	ZINC001086826429	943543565	/nfs/dbraw/zinc/54/35/65/943543565.db2.gz	PFHGWILYGVKJKC-HIRMHNASSA-N	1	0	374.485	1.841	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cncc(OC)n2)C1	ZINC001086826623	943544220	/nfs/dbraw/zinc/54/42/20/943544220.db2.gz	ZODCXVRMLRMUEW-HIRMHNASSA-N	1	0	374.485	1.841	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccnc(OC)n2)C1	ZINC001086826519	943544405	/nfs/dbraw/zinc/54/44/05/943544405.db2.gz	TZQSUBHGJNVWMB-MVJTYMMSSA-N	1	0	374.485	1.841	20	30		FDEDRO
C[C@H](NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CN(C)CCO1	ZINC000819405599	943553991	/nfs/dbraw/zinc/55/39/91/943553991.db2.gz	VQJVDSFIIMQQFX-KKUMJFAQSA-N	1	0	368.478	1.409	20	30		FDEDRO
C=CCn1cc(C[NH2+]C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)nn1	ZINC000819382655	943565952	/nfs/dbraw/zinc/56/59/52/943565952.db2.gz	PSXCRXJRFGBYJK-GOSISDBHSA-N	1	0	365.478	1.706	20	30		FDEDRO
CC[C@H](C(=O)N[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@H]1O)[NH+](CC)CC	ZINC001090529807	943748672	/nfs/dbraw/zinc/74/86/72/943748672.db2.gz	BMFYRXFDDHUMQR-BRWVUGGUSA-N	1	0	359.474	1.048	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC1CC(C[NH2+]Cc2ccc(C#N)cc2F)C1	ZINC000961941945	1013054181	/nfs/dbraw/zinc/05/41/81/1013054181.db2.gz	FYHFKKFFTALISY-QZXDYEHLSA-N	1	0	361.417	1.486	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cnc(C)nc3C)C2)C1=O	ZINC001086831329	943769510	/nfs/dbraw/zinc/76/95/10/943769510.db2.gz	MALPKPUKLMSKPV-JZXOWHBKSA-N	1	0	371.485	1.368	20	30		FDEDRO
CC[C@@H](C(=O)N[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1O)[NH+](CC)CC	ZINC001090530848	943877619	/nfs/dbraw/zinc/87/76/19/943877619.db2.gz	YGLMREQQXRRVJS-SOLBZPMBSA-N	1	0	362.449	1.483	20	30		FDEDRO
CC[NH+]1CCC(CCNC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)CC1	ZINC000805741756	943882906	/nfs/dbraw/zinc/88/29/06/943882906.db2.gz	PNLVMDLMQPLAFC-UHFFFAOYSA-N	1	0	372.469	1.421	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N[C@H]1CCN(O)C1=O	ZINC000820157358	943919192	/nfs/dbraw/zinc/91/91/92/943919192.db2.gz	WHZNTVZKFMVBRN-ZBFHGGJFSA-N	1	0	361.442	1.660	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3nc(C)oc3C)C2)C1=O	ZINC001086837861	944153623	/nfs/dbraw/zinc/15/36/23/944153623.db2.gz	YJFBZCHZPVBZSO-ARFHVFGLSA-N	1	0	360.458	1.566	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2ccc(N3CCCNC3=O)cc2)CC1	ZINC000856321452	971058554	/nfs/dbraw/zinc/05/85/54/971058554.db2.gz	INGXGWHQOCZFRH-UHFFFAOYSA-N	1	0	354.454	1.568	20	30		FDEDRO
CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)nn1	ZINC001086840371	944283298	/nfs/dbraw/zinc/28/32/98/944283298.db2.gz	BPXKVXHFSGCBTO-WMLDXEAASA-N	1	0	352.442	1.858	20	30		FDEDRO
CON=C(C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1csc(N)n1	ZINC000821124629	944346626	/nfs/dbraw/zinc/34/66/26/944346626.db2.gz	BCRWTSNVNGEENE-RISCZKNCSA-N	1	0	363.487	1.551	20	30		FDEDRO
C#CC[C@@H](CO)[NH2+]Cc1ccc(OCC(=O)N2CCCCC2)c(OCC)c1	ZINC000821206747	944386401	/nfs/dbraw/zinc/38/64/01/944386401.db2.gz	HMGGFLKPWOXROF-SFHVURJKSA-N	1	0	374.481	1.950	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[N@@H+](CC)[C@@H](C)C2)s1	ZINC000821301205	944431027	/nfs/dbraw/zinc/43/10/27/944431027.db2.gz	KORRUQHGVZYIKG-ZDUSSCGKSA-N	1	0	371.528	1.308	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)nc[nH]c3=O)C2	ZINC001110104199	944582673	/nfs/dbraw/zinc/58/26/73/944582673.db2.gz	KAWXEIBCXLKWTC-JLSDUUJJSA-N	1	0	368.437	1.873	20	30		FDEDRO
COC(=O)c1nc2ccc(NC(=[NH2+])c3ccc(C(=O)OC)cc3)[nH]c-2n1	ZINC001170983991	944932812	/nfs/dbraw/zinc/93/28/12/944932812.db2.gz	IYUGVZKHJHSGRS-UHFFFAOYSA-N	1	0	353.338	1.568	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3ccncc3)on2)C1	ZINC001195690765	971139135	/nfs/dbraw/zinc/13/91/35/971139135.db2.gz	FBZYLMRNHPNSEN-KBRIMQKVSA-N	1	0	356.426	1.866	20	30		FDEDRO
CON=C(C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)c1csc(N)n1	ZINC000823111589	945452659	/nfs/dbraw/zinc/45/26/59/945452659.db2.gz	FWPQAQVALNOXQG-NSHDSACASA-N	1	0	351.476	1.409	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)C1CCOCC1	ZINC000823169017	945548952	/nfs/dbraw/zinc/54/89/52/945548952.db2.gz	URQRRESYTDFSCA-LJQANCHMSA-N	1	0	362.518	1.084	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)C2	ZINC001110106246	945637434	/nfs/dbraw/zinc/63/74/34/945637434.db2.gz	LLAMLBHINVENGB-UGUYLWEFSA-N	1	0	357.520	1.370	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)OC)c1	ZINC001136765089	945919062	/nfs/dbraw/zinc/91/90/62/945919062.db2.gz	BMSGRTPMOVYRDM-KRWDZBQOSA-N	1	0	373.453	1.911	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)Cc1noc(C)c1-c1nn[nH]n1)C(C)C	ZINC000823903554	946509124	/nfs/dbraw/zinc/50/91/24/946509124.db2.gz	CUBVUAUZKLPRFG-OAHLLOKOSA-N	1	0	373.461	1.520	20	30		FDEDRO
C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573283851	946726942	/nfs/dbraw/zinc/72/69/42/946726942.db2.gz	YZNYDNNSFQGFFQ-UHFFFAOYSA-N	1	0	369.473	1.830	20	30		FDEDRO
C#CCCCC(=O)N1CCC([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC1	ZINC001573285536	946781522	/nfs/dbraw/zinc/78/15/22/946781522.db2.gz	ZDOAVGZAQWGKHF-UHFFFAOYSA-N	1	0	370.432	1.890	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1	ZINC001573292761	946938180	/nfs/dbraw/zinc/93/81/80/946938180.db2.gz	AVXTZQBDXNWCDJ-UKRRQHHQSA-N	1	0	369.473	1.983	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN([C@@H](C)C(=O)NCCCC)C[C@H]2O)CC1	ZINC001195877254	971301402	/nfs/dbraw/zinc/30/14/02/971301402.db2.gz	YDVSDIQINHTAIW-USXIJHARSA-N	1	0	351.491	1.199	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1	ZINC001573293639	946962676	/nfs/dbraw/zinc/96/26/76/946962676.db2.gz	DZVLPGRRMGXYSK-UONOGXRCSA-N	1	0	357.462	1.991	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]21	ZINC001573294054	946975227	/nfs/dbraw/zinc/97/52/27/946975227.db2.gz	SHKDUMIGKRSZTC-VHDGCEQUSA-N	1	0	355.446	1.601	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1	ZINC001573562957	946981420	/nfs/dbraw/zinc/98/14/20/946981420.db2.gz	YGNYXOGVLCMJQU-MLGOLLRUSA-N	1	0	353.430	1.353	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573564465	946995427	/nfs/dbraw/zinc/99/54/27/946995427.db2.gz	JALRKDSFEDKKHP-WCQYABFASA-N	1	0	357.393	1.198	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccccc1-c1nn[nH]n1	ZINC001573566721	947030099	/nfs/dbraw/zinc/03/00/99/947030099.db2.gz	GAUJFMDNIOOBGL-HIFRSBDPSA-N	1	0	353.430	1.449	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573567475	947046586	/nfs/dbraw/zinc/04/65/86/947046586.db2.gz	NPVCPZUNPRYGKP-CZUORRHYSA-N	1	0	353.430	1.497	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573568007	947062567	/nfs/dbraw/zinc/06/25/67/947062567.db2.gz	WJYMZVVUWDZJJM-TZMCWYRMSA-N	1	0	371.420	1.588	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@]2(CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1	ZINC001573567978	947062879	/nfs/dbraw/zinc/06/28/79/947062879.db2.gz	VWQTWXHTQOILNM-KUHUBIRLSA-N	1	0	365.441	1.451	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)[C@H](C)C1	ZINC001573570581	947090828	/nfs/dbraw/zinc/09/08/28/947090828.db2.gz	QZEPTALAPWCKNF-GZBFAFLISA-N	1	0	353.430	1.210	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573570782	947093913	/nfs/dbraw/zinc/09/39/13/947093913.db2.gz	UAXHJGLTTKHOTH-IIAWOOMASA-N	1	0	367.457	1.601	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@](C)(C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C1CC1	ZINC001573570873	947097269	/nfs/dbraw/zinc/09/72/69/947097269.db2.gz	VXVKEGFLZHFHFV-ZMZPIMSZSA-N	1	0	371.420	1.540	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1	ZINC001573572189	947108412	/nfs/dbraw/zinc/10/84/12/947108412.db2.gz	FKQZHFGISLDCNN-NSHDSACASA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H]1CC12CC[NH+](Cc1ccc(-c3nn[nH]n3)cc1)CC2	ZINC001573573033	947117453	/nfs/dbraw/zinc/11/74/53/947117453.db2.gz	LJJSTJPYODENLP-CJNGLKHVSA-N	1	0	365.441	1.497	20	30		FDEDRO
C[C@H](C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1-c1nn[nH]n1	ZINC001573573454	947122072	/nfs/dbraw/zinc/12/20/72/947122072.db2.gz	NIVNDFZDQBPYFV-OHRKKDJYSA-N	1	0	365.441	1.638	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CC1	ZINC001573576037	947148110	/nfs/dbraw/zinc/14/81/10/947148110.db2.gz	CVGMCIRZQZHQDQ-ZUZCIYMTSA-N	1	0	357.393	1.150	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573310841	947230432	/nfs/dbraw/zinc/23/04/32/947230432.db2.gz	ZVOGIRBHLCAWCF-OHNRDTAOSA-N	1	0	370.457	1.178	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H](C)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC001573585099	947246316	/nfs/dbraw/zinc/24/63/16/947246316.db2.gz	KIGQVZGDLRUCRA-ZIAGYGMSSA-N	1	0	367.457	1.743	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573585581	947263491	/nfs/dbraw/zinc/26/34/91/947263491.db2.gz	SOJYIDJLRYIYEQ-COPLHBTASA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)CC1	ZINC001573586410	947287332	/nfs/dbraw/zinc/28/73/32/947287332.db2.gz	PWZFZMRYFPPMCT-DZKIICNBSA-N	1	0	367.457	1.791	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1	ZINC001573319815	947335705	/nfs/dbraw/zinc/33/57/05/947335705.db2.gz	RVNBNJVEASXGDG-OAHLLOKOSA-N	1	0	367.457	1.773	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)ncn2)C[C@H]1c1ccc(OC)cc1	ZINC001090868144	947374736	/nfs/dbraw/zinc/37/47/36/947374736.db2.gz	BTUPMUCYEJLWTP-PKOBYXMFSA-N	1	0	350.422	1.625	20	30		FDEDRO
N#CCCN(Cc1cccnc1)C(=O)[C@H]1[C@@H](O)CCN1Cc1ccccc1	ZINC001143661252	947407554	/nfs/dbraw/zinc/40/75/54/947407554.db2.gz	AATBBYWDYIVGBZ-VQTJNVASSA-N	1	0	364.449	1.959	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1c1ccc(OC)cc1	ZINC001090870914	947417051	/nfs/dbraw/zinc/41/70/51/947417051.db2.gz	FKXDORIEUGWPTB-DLBZAZTESA-N	1	0	355.442	1.598	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(OC)ncn2)C[C@H]1c1ccc(OC)cc1	ZINC001090871256	947428001	/nfs/dbraw/zinc/42/80/01/947428001.db2.gz	KFJFOCKNEOWFNH-FUHWJXTLSA-N	1	0	366.421	1.325	20	30		FDEDRO
C=CCCC(=O)N(C)C1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1	ZINC001573329972	947428114	/nfs/dbraw/zinc/42/81/14/947428114.db2.gz	RLPLDMMRHQHISL-UHFFFAOYSA-N	1	0	355.446	1.831	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nn(C)cc2C)C[C@H]1c1ccc(OC)cc1	ZINC001090871367	947435072	/nfs/dbraw/zinc/43/50/72/947435072.db2.gz	QNBGRZLFYODUFT-ZWKOTPCHSA-N	1	0	352.438	1.568	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1	ZINC001573334662	947461689	/nfs/dbraw/zinc/46/16/89/947461689.db2.gz	HMWUUUCQPUHPFC-KSSFIOAISA-N	1	0	355.446	1.745	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2ccnn2C)C[C@H]1c1ccc(OC)cc1	ZINC001090871983	947462703	/nfs/dbraw/zinc/46/27/03/947462703.db2.gz	BFRBSZDEAIRQIN-AYOQOUSVSA-N	1	0	366.465	1.750	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]2NCC#N)cc1	ZINC001090874579	947477712	/nfs/dbraw/zinc/47/77/12/947477712.db2.gz	LSFQBUAMLYQCGO-OTWHNJEPSA-N	1	0	356.470	1.443	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCN(C)C(=O)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090874765	947482835	/nfs/dbraw/zinc/48/28/35/947482835.db2.gz	PXCISUADKQKPEX-YTQUADARSA-N	1	0	371.481	1.634	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(OC)n(C)n2)C[C@H]1c1ccc(OC)cc1	ZINC001090875514	947493345	/nfs/dbraw/zinc/49/33/45/947493345.db2.gz	XQPYTZCZCHOFSZ-FUHWJXTLSA-N	1	0	368.437	1.268	20	30		FDEDRO
C=CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1	ZINC001573336065	947497774	/nfs/dbraw/zinc/49/77/74/947497774.db2.gz	ZQNBFECJUXWYGW-UHFFFAOYSA-N	1	0	357.462	1.945	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090875821	947550743	/nfs/dbraw/zinc/55/07/43/947550743.db2.gz	ILJNCNXKEWIMBS-WAOWUJCRSA-N	1	0	371.481	1.682	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(C)n[nH]c2C)C[C@H]1c1ccc(OC)cc1	ZINC001090882750	947620358	/nfs/dbraw/zinc/62/03/58/947620358.db2.gz	SCGBAOYPHGSCCO-ZWKOTPCHSA-N	1	0	352.438	1.866	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H](NCC#N)C1	ZINC001090885390	947661167	/nfs/dbraw/zinc/66/11/67/947661167.db2.gz	MVJLQSIJZZLMFO-XUVXKRRUSA-N	1	0	370.497	1.977	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1	ZINC001573358975	947674642	/nfs/dbraw/zinc/67/46/42/947674642.db2.gz	SMXDVROKPPLGHZ-OAHLLOKOSA-N	1	0	367.457	1.930	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)N1CC[NH2+]C[C@H]1c1ccccc1	ZINC000844199048	947868341	/nfs/dbraw/zinc/86/83/41/947868341.db2.gz	SRERTSRJTUTHRP-IJYGLTAASA-N	1	0	354.410	1.076	20	30		FDEDRO
CC[C@H](C(=O)N[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H]1OC)[NH+](C)C	ZINC001090905327	947908352	/nfs/dbraw/zinc/90/83/52/947908352.db2.gz	SCGIZCHQLCHRKV-IJLUTSLNSA-N	1	0	371.894	1.328	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)CC1	ZINC000844438453	948088186	/nfs/dbraw/zinc/08/81/86/948088186.db2.gz	CULPEDFMZXKJCG-NVXWUHKLSA-N	1	0	354.445	1.800	20	30		FDEDRO
C[NH+](C)CCN1CCN(C(=S)Nc2ccc(C#N)c(Cl)c2)CC1=O	ZINC000844569710	948197721	/nfs/dbraw/zinc/19/77/21/948197721.db2.gz	NNNVAZUOSVVEGZ-UHFFFAOYSA-N	1	0	365.890	1.614	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C	ZINC000775686593	971482691	/nfs/dbraw/zinc/48/26/91/971482691.db2.gz	HVDSMDVKCPDWQF-KBPBESRZSA-N	1	0	368.478	1.671	20	30		FDEDRO
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC(N3CC[C@@H](O)C3)C2)c1	ZINC000844973127	948550411	/nfs/dbraw/zinc/55/04/11/948550411.db2.gz	JDZDKLVRMUAEJO-SJORKVTESA-N	1	0	358.442	1.328	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC([NH2+]Cc2c(C)nnn2CC)C1	ZINC001091034781	948560285	/nfs/dbraw/zinc/56/02/85/948560285.db2.gz	UWQFCVGLMFFOSD-IOTAOYMUSA-N	1	0	361.490	1.572	20	30		FDEDRO
CC(=O)N1CSC[C@@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000845006152	948585721	/nfs/dbraw/zinc/58/57/21/948585721.db2.gz	CHUKLIYJYZYKCX-GOSISDBHSA-N	1	0	372.494	1.560	20	30		FDEDRO
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NC[C@@]1([NH+](C)C)CCSC1	ZINC000845023590	948610091	/nfs/dbraw/zinc/61/00/91/948610091.db2.gz	YHHCBBUKQPDIHL-WMZOPIPTSA-N	1	0	362.499	1.670	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)CCCO1	ZINC000845151866	948736364	/nfs/dbraw/zinc/73/63/64/948736364.db2.gz	ISNPIPIJYAYZEH-QFBILLFUSA-N	1	0	374.485	1.734	20	30		FDEDRO
C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccncc1C#N	ZINC000845238541	948926011	/nfs/dbraw/zinc/92/60/11/948926011.db2.gz	JGVCILWXPPSFIK-HNNXBMFYSA-N	1	0	362.430	1.841	20	30		FDEDRO
C=C(Br)CNC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C	ZINC000845302546	949009915	/nfs/dbraw/zinc/00/99/15/949009915.db2.gz	UYXRPHGEAGRXAP-LLVKDONJSA-N	1	0	364.284	1.856	20	30		FDEDRO
Cc1cc(N2C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]3CCCC3)[C@@H](O)C2)c(C#N)cn1	ZINC001091111080	949291070	/nfs/dbraw/zinc/29/10/70/949291070.db2.gz	OCBRZKJAURQZPI-NZSAHSFTSA-N	1	0	371.485	1.048	20	30		FDEDRO
CCCCCC[N@H+](C)CC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O	ZINC001091130184	949584268	/nfs/dbraw/zinc/58/42/68/949584268.db2.gz	SLSNFERIRLCGTJ-SJORKVTESA-N	1	0	359.474	1.131	20	30		FDEDRO
N#Cc1ccccc1C[NH2+]C1CC(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC001091153472	949736464	/nfs/dbraw/zinc/73/64/64/949736464.db2.gz	AFTMNYUHZFGJSI-AJYZDWFCSA-N	1	0	351.450	1.966	20	30		FDEDRO
CC(C)(C#N)c1ccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1	ZINC000845843564	950017090	/nfs/dbraw/zinc/01/70/90/950017090.db2.gz	YYDYXXPSWMUNOA-CVEARBPZSA-N	1	0	363.483	1.629	20	30		FDEDRO
CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@@H](C)C#N	ZINC001574150241	950025212	/nfs/dbraw/zinc/02/52/12/950025212.db2.gz	AQWRUUCKNRBNFU-NWDGAFQWSA-N	1	0	361.475	1.708	20	30		FDEDRO
CC[C@@H](C(=O)N[C@@H]1CN(c2snc(C)c2C#N)C[C@@H]1O)[NH+](CC)CC	ZINC001091180083	950259996	/nfs/dbraw/zinc/25/99/96/950259996.db2.gz	ABVASBPNFSMPHD-ILXRZTDVSA-N	1	0	365.503	1.109	20	30		FDEDRO
C[C@H](CNC(=O)c1cc(C#N)c[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F	ZINC001574997932	950559265	/nfs/dbraw/zinc/55/92/65/950559265.db2.gz	ZHJZCQOMWAMTSE-SNVBAGLBSA-N	1	0	368.376	1.114	20	30		FDEDRO
N#Cc1ccc(C2CC[NH+](C[C@@](O)(C(N)=O)c3ccccc3)CC2)nc1	ZINC001196418911	971687095	/nfs/dbraw/zinc/68/70/95/971687095.db2.gz	IXLVOOMUIWNBFL-FQEVSTJZSA-N	1	0	350.422	1.506	20	30		FDEDRO
Cc1cc(C#N)nc(N2CC[C@@H]3CCN(C(=O)CCCC[NH+](C)C)C[C@@H]32)n1	ZINC001091216486	950999887	/nfs/dbraw/zinc/99/98/87/950999887.db2.gz	MMTMOYZANOQNQT-WMZOPIPTSA-N	1	0	370.501	1.816	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC[C@@H]21	ZINC001571003911	951128626	/nfs/dbraw/zinc/12/86/26/951128626.db2.gz	DRVYGKSYZQQVBO-FZMZJTMJSA-N	1	0	361.837	1.484	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ccc3nonc3c2)C1	ZINC001091242592	951139935	/nfs/dbraw/zinc/13/99/35/951139935.db2.gz	MCCDKNWWQGQCKP-HNFMNYKYSA-N	1	0	356.426	1.798	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2cccc(C(N)=O)c2)C1	ZINC001091278103	951293788	/nfs/dbraw/zinc/29/37/88/951293788.db2.gz	KLZRXEBWPJKKCW-FYOYPEGLSA-N	1	0	371.481	1.751	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC([NH2+]CCn2nc(C)cc2C)C1	ZINC001091278448	951294924	/nfs/dbraw/zinc/29/49/24/951294924.db2.gz	QDMQVYZZPPIEMM-BTRQGYIVSA-N	1	0	360.502	1.966	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CC([NH2+]CCc2ccnn2C)C1	ZINC001091273907	951320195	/nfs/dbraw/zinc/32/01/95/951320195.db2.gz	CNHJGXIOXGLJQI-VHZYLWGESA-N	1	0	360.502	1.818	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)c2)C1	ZINC001091405425	951599718	/nfs/dbraw/zinc/59/97/18/951599718.db2.gz	XTFVEIOBVVCWKN-MDNKFWRPSA-N	1	0	369.465	1.742	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cccnc2N2CCC(CO)CC2)CC1	ZINC000115163073	971772186	/nfs/dbraw/zinc/77/21/86/971772186.db2.gz	QKYZBPKTIKSDJI-UHFFFAOYSA-N	1	0	356.470	1.574	20	30		FDEDRO
C#C[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)C1	ZINC000847024779	951776860	/nfs/dbraw/zinc/77/68/60/951776860.db2.gz	SLAIFQCVNQMXCN-QGZVFWFLSA-N	1	0	354.454	1.708	20	30		FDEDRO
C[C@]12CN(C(=O)c3ccc(=O)[nH]n3)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001091456064	951838936	/nfs/dbraw/zinc/83/89/36/951838936.db2.gz	QMDCTSTVIANKHI-UTKZUKDTSA-N	1	0	362.433	1.628	20	30		FDEDRO
C[C@@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001575101194	951855780	/nfs/dbraw/zinc/85/57/80/951855780.db2.gz	ATMADLYKKCIHMH-JTQLQIEISA-N	1	0	370.442	1.378	20	30		FDEDRO
C[C@H](C[NH2+]Cc1ccc(C#N)cc1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001575101506	951859913	/nfs/dbraw/zinc/85/99/13/951859913.db2.gz	FXLOUIQSJGATJG-GFCCVEGCSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[C@]12CN(C(=O)Cn3cccn3)C[C@H]1C[N@H+](Cc1ccc(C#N)s1)C2	ZINC001091481881	951865584	/nfs/dbraw/zinc/86/55/84/951865584.db2.gz	CUFNZBKAERIHCM-KDOFPFPSSA-N	1	0	355.467	1.797	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4occc4C)C[C@]3(C)C2)C1=O	ZINC001091484857	951870355	/nfs/dbraw/zinc/87/03/55/951870355.db2.gz	FDRJZIBYKUDALO-QINHECLXSA-N	1	0	357.454	1.769	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@H+](Cc1cc(-c3nn[nH]n3)ccc1F)C2	ZINC001571061948	951956547	/nfs/dbraw/zinc/95/65/47/951956547.db2.gz	ZNESONFHJLAUOM-LBPRGKRZSA-N	1	0	369.404	1.200	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2C[N@H+](Cc3cn(C)nc3C(F)F)C[C@@]2(C)C1	ZINC001091544240	951983571	/nfs/dbraw/zinc/98/35/71/951983571.db2.gz	XHXPRMIDQICKAN-PPHDSNJXSA-N	1	0	351.401	1.798	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2C[N@H+](CC(=O)NC3CCCCCC3)C[C@@]2(C)C1	ZINC001091545791	951985664	/nfs/dbraw/zinc/98/56/64/951985664.db2.gz	VIITWIUKNGGSMK-QINHECLXSA-N	1	0	360.502	1.765	20	30		FDEDRO
C[C@]12CN(C(=O)Cc3cc[nH]n3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1F)C2	ZINC001091560304	952064969	/nfs/dbraw/zinc/06/49/69/952064969.db2.gz	UFZLFHIDQUFZMH-UZLBHIALSA-N	1	0	367.428	1.943	20	30		FDEDRO
CN1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@@]3(C)C2)C1	ZINC001091565613	952091800	/nfs/dbraw/zinc/09/18/00/952091800.db2.gz	SMXUKQMLFGFEOZ-DYXWJJEUSA-N	1	0	368.481	1.169	20	30		FDEDRO
CCn1cc(CC[N@@H+]2C[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@]3(C)C2)cn1	ZINC001091574322	952110785	/nfs/dbraw/zinc/11/07/85/952110785.db2.gz	DMXIHGUZJGTZNV-XLIONFOSSA-N	1	0	366.469	1.739	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@]3(C)C2)nn1	ZINC001091575880	952116834	/nfs/dbraw/zinc/11/68/34/952116834.db2.gz	FMKRKPDSHLFJLL-KUHUBIRLSA-N	1	0	366.425	1.279	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001571085824	952199285	/nfs/dbraw/zinc/19/92/85/952199285.db2.gz	VDTKOWDYCSXYHK-OCCSQVGLSA-N	1	0	371.420	1.588	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@]3(C)C2)C1=O	ZINC001091605208	952232351	/nfs/dbraw/zinc/23/23/51/952232351.db2.gz	VSNNHKWLLJUTJT-ZTQAJYAQSA-N	1	0	367.453	1.067	20	30		FDEDRO
C[C@]12CN(C(=O)CN3CCOCC3)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001091608621	952271840	/nfs/dbraw/zinc/27/18/40/952271840.db2.gz	WVDVJQTWHPXDLC-CTNGQTDRSA-N	1	0	368.481	1.171	20	30		FDEDRO
C[C@]12CN(C(=O)CC3OCCCO3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001091621802	952342623	/nfs/dbraw/zinc/34/26/23/952342623.db2.gz	IVJCRFOYYMEMIF-NQIIRXRSSA-N	1	0	369.465	1.992	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)NC[C@H]2CC[C@@H](Nc3nccnc3C#N)C2)C1	ZINC001091638835	952430008	/nfs/dbraw/zinc/43/00/08/952430008.db2.gz	AEDITZKJIVIISN-LSDHHAIUSA-N	1	0	356.474	1.777	20	30		FDEDRO
C[C@]12CN(C(=O)CO[C@H]3CCOC3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001091669608	952574154	/nfs/dbraw/zinc/57/41/54/952574154.db2.gz	RZRSBGNZLAVBBS-DYXWJJEUSA-N	1	0	369.465	1.644	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cn([C@@H]4CCOC4)nc3C)C[C@]2(C)C1	ZINC001091672525	952588483	/nfs/dbraw/zinc/58/84/83/952588483.db2.gz	PWUWQDQJVRPROU-HLIPFELVSA-N	1	0	356.470	1.570	20	30		FDEDRO
C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@@H]1CCCNc1ccnc(C#N)n1	ZINC001091704470	952682545	/nfs/dbraw/zinc/68/25/45/952682545.db2.gz	AQRKVVGAPFDRAI-IXDOHACOSA-N	1	0	370.501	1.541	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](C)n3nnnc3C(C)(C)C)C[C@]2(C)C1	ZINC001091724691	952741267	/nfs/dbraw/zinc/74/12/67/952741267.db2.gz	JVAWQFRIOFRBDJ-KHYOSLBOSA-N	1	0	360.506	1.888	20	30		FDEDRO
CC(C)Oc1ccc(C(=O)NC[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])cc1C#N	ZINC001148777718	952783527	/nfs/dbraw/zinc/78/35/27/952783527.db2.gz	SKCVPFDXRGETOA-ZHALLVOQSA-N	1	0	361.442	1.800	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H]2CN(C(=O)Cc3c(CC)nn(C)c3CC)C[C@]2(C)C1	ZINC001091747157	952784250	/nfs/dbraw/zinc/78/42/50/952784250.db2.gz	DEWLORAAUIIWDW-IERDGZPVSA-N	1	0	356.514	1.891	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc(CC)n3C)C2)nc1	ZINC001086855975	952902009	/nfs/dbraw/zinc/90/20/09/952902009.db2.gz	BVJNZIZAOGFYMT-JKSUJKDBSA-N	1	0	366.469	1.442	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cn(CC)nn3)C2)nc1	ZINC001086856974	952903927	/nfs/dbraw/zinc/90/39/27/952903927.db2.gz	DWLDHZPJANXSOX-JKSUJKDBSA-N	1	0	352.442	1.363	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H](C)c3nnc(C)[nH]3)C2)nc1	ZINC001086856914	952903945	/nfs/dbraw/zinc/90/39/45/952903945.db2.gz	AQIQAGUTYOHUDI-UHOFOFEASA-N	1	0	352.442	1.739	20	30		FDEDRO
CCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cc(C#N)ccc2OC)C1	ZINC001086960188	952957026	/nfs/dbraw/zinc/95/70/26/952957026.db2.gz	KTGDNMYMLVQNNK-ZWKOTPCHSA-N	1	0	367.453	1.795	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2c2cnn(C)c2)cc1	ZINC001086970705	952972386	/nfs/dbraw/zinc/97/23/86/952972386.db2.gz	FKGAITLROXNLSR-MDASCCDHSA-N	1	0	367.453	1.673	20	30		FDEDRO
CC1CC(C[NH2+][C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2c2cnn(C)c2)C1	ZINC001086973277	952979043	/nfs/dbraw/zinc/97/90/43/952979043.db2.gz	XXYHKUJDGVHPLM-PLQDADFZSA-N	1	0	366.469	1.864	20	30		FDEDRO
Cc1nocc1C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1cnn(C)c1	ZINC001086978328	952989891	/nfs/dbraw/zinc/98/98/91/952989891.db2.gz	PWZRHVXGSCJTQN-ZWKOTPCHSA-N	1	0	353.426	1.214	20	30		FDEDRO
Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1cnn(C)c1	ZINC001086978378	952990528	/nfs/dbraw/zinc/99/05/28/952990528.db2.gz	SNYSXBJZZNXXSY-VQTJNVASSA-N	1	0	363.465	1.621	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2[nH]cnc2C(F)(F)F)C[C@H]1c1cnn(C)c1	ZINC001086982256	952994932	/nfs/dbraw/zinc/99/49/32/952994932.db2.gz	BBXJFKCQGHXXBE-NWDGAFQWSA-N	1	0	368.363	1.546	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2ccc(F)cn2)C[C@H]1c1cnn(C)c1	ZINC001086984751	952999514	/nfs/dbraw/zinc/99/95/14/952999514.db2.gz	BSBOXLVNNOWPHA-ZWKOTPCHSA-N	1	0	357.433	1.657	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ncoc2C(F)(F)F)C[C@H]1c1cnn(C)c1	ZINC001086985700	953003923	/nfs/dbraw/zinc/00/39/23/953003923.db2.gz	YZLBZZJOPMEYRZ-NWDGAFQWSA-N	1	0	367.331	1.258	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)CCOC3)C[C@H]1c1cnn(C)c1	ZINC001086987130	953009140	/nfs/dbraw/zinc/00/91/40/953009140.db2.gz	BAQYONOOGORASP-VQTJNVASSA-N	1	0	366.465	1.877	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCC2(F)F)C[C@H]1c1cnn(C)c1	ZINC001086989703	953015391	/nfs/dbraw/zinc/01/53/91/953015391.db2.gz	OWHUPJCORYZCFE-ARFHVFGLSA-N	1	0	350.413	1.763	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cccs2)C[C@H]1c1cnn(C)c1	ZINC001086990465	953017910	/nfs/dbraw/zinc/01/79/10/953017910.db2.gz	DKTUSFRDOZTUMA-JKSUJKDBSA-N	1	0	356.495	1.977	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccncc2)C(C)C)C[C@H]1c1cnn(C)c1	ZINC001086993137	953025924	/nfs/dbraw/zinc/02/59/24/953025924.db2.gz	INWZFBSFSDYAFK-XUVXKRRUSA-N	1	0	365.481	1.772	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3cnn(C)c3C2)C[C@H]1c1cnn(C)c1	ZINC001086993509	953026993	/nfs/dbraw/zinc/02/69/93/953026993.db2.gz	DESYCZSWNLQLID-FHLIZLRMSA-N	1	0	368.485	1.029	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3nn[nH]c32)C[C@H]1c1cnn(C)c1	ZINC001086993676	953027570	/nfs/dbraw/zinc/02/75/70/953027570.db2.gz	LTADULGGINHBEZ-HLLBOEOZSA-N	1	0	369.473	1.118	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2cn(C)nc2Cl)C[C@H]1c1cnn(C)c1	ZINC001086996777	953038393	/nfs/dbraw/zinc/03/83/93/953038393.db2.gz	VLVITDVWHMJVHM-LSDHHAIUSA-N	1	0	362.865	1.120	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2)C[C@H]1O	ZINC001196692025	971891818	/nfs/dbraw/zinc/89/18/18/971891818.db2.gz	QXBPPHLQLRLYPX-IPMKNSEASA-N	1	0	359.470	1.127	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3c2C[C@H](C)CC3)C[C@H]1c1cnn(C)c1	ZINC001087004058	953061486	/nfs/dbraw/zinc/06/14/86/953061486.db2.gz	CZKHXVDFMGSLSP-RPVQJOFSSA-N	1	0	368.485	1.652	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3nc[nH]c3C2)C[C@H]1c1cnn(C)c1	ZINC001087004916	953063038	/nfs/dbraw/zinc/06/30/38/953063038.db2.gz	CNWJXSXTEZISJZ-URLQWDBASA-N	1	0	368.485	1.408	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@](C)(OC)c2ccccc2)C[C@H]1c1cnn(C)c1	ZINC001087005544	953064850	/nfs/dbraw/zinc/06/48/50/953064850.db2.gz	IPESRSVGCDMQDP-QKNQBKEWSA-N	1	0	366.465	1.499	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COc2ccccc2C)C[C@H]1c1cnn(C)c1	ZINC001087007967	953094576	/nfs/dbraw/zinc/09/45/76/953094576.db2.gz	FUZCDTIVABYDNJ-ZWKOTPCHSA-N	1	0	352.438	1.325	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2ccc(C)cc2)C[C@H]1c1cnn(C)c1	ZINC001087008442	953095900	/nfs/dbraw/zinc/09/59/00/953095900.db2.gz	GFXFDZIHSYCQOQ-FFZOFVMBSA-N	1	0	366.465	1.713	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COc2c(C)cccc2C)C[C@H]1c1cnn(C)c1	ZINC001087008503	953095959	/nfs/dbraw/zinc/09/59/59/953095959.db2.gz	JORRKPLVQKASRC-RBUKOAKNSA-N	1	0	366.465	1.633	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]2NCC#N)cn1	ZINC001087010850	953102398	/nfs/dbraw/zinc/10/23/98/953102398.db2.gz	USQYWDPNRQWQCC-RBUKOAKNSA-N	1	0	366.469	1.203	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3[nH]c(=O)oc3c2)C[C@H]1c1cnn(C)c1	ZINC001087011176	953103203	/nfs/dbraw/zinc/10/32/03/953103203.db2.gz	ISZUFFYFARBGAD-GOEBONIOSA-N	1	0	367.409	1.651	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001087030195	953123963	/nfs/dbraw/zinc/12/39/63/953123963.db2.gz	ARVQHSJBFLMRNE-SJLPKXTDSA-N	1	0	371.416	1.687	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1c(C)nn(C)c1Cl	ZINC001087035724	953145671	/nfs/dbraw/zinc/14/56/71/953145671.db2.gz	KXGNVBREQUAIQA-UXIGCNINSA-N	1	0	367.881	1.495	20	30		FDEDRO
CCCn1c(C)nnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1OCC	ZINC001087035885	953146345	/nfs/dbraw/zinc/14/63/45/953146345.db2.gz	QCEZGMCFQQWNBK-FVQBIDKESA-N	1	0	362.478	1.109	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1cncc(F)c1	ZINC001087039862	953156392	/nfs/dbraw/zinc/15/63/92/953156392.db2.gz	HNKYQGMFTLSGHM-CRAIPNDOSA-N	1	0	371.416	1.687	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1ncc(C)cn1	ZINC001087040086	953156706	/nfs/dbraw/zinc/15/67/06/953156706.db2.gz	QNYNXHMQNLUPBB-NVXWUHKLSA-N	1	0	368.441	1.252	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cocn2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087034527	953172403	/nfs/dbraw/zinc/17/24/03/953172403.db2.gz	JCSMYBDASWEUHZ-SJLPKXTDSA-N	1	0	354.410	1.813	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1ccc(OC)nc1	ZINC001087052736	953184078	/nfs/dbraw/zinc/18/40/78/953184078.db2.gz	JMGLNARYNFHWQZ-QZTJIDSGSA-N	1	0	357.454	1.457	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+][C@@H](C)c1ncccn1	ZINC001087046920	953194940	/nfs/dbraw/zinc/19/49/40/953194940.db2.gz	IBCAOJYFKHFXOY-YSVLISHTSA-N	1	0	368.441	1.504	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1cccnc1C	ZINC001087046949	953194976	/nfs/dbraw/zinc/19/49/76/953194976.db2.gz	JVUFUGBCDJHEPO-IEBWSBKVSA-N	1	0	367.453	1.857	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+][C@@H](C)c1nnc(C)[nH]1	ZINC001087047195	953195962	/nfs/dbraw/zinc/19/59/62/953195962.db2.gz	XWFFNTZMGXPQFO-SGIREYDYSA-N	1	0	371.445	1.141	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]Cc2nccn2C)[C@H](OCC)C1	ZINC001087059514	953202007	/nfs/dbraw/zinc/20/20/07/953202007.db2.gz	JXENVRAZFNLIJU-SJLPKXTDSA-N	1	0	371.485	1.675	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ccon3)[C@H](OCC)C2)cc1	ZINC001087071329	953225379	/nfs/dbraw/zinc/22/53/79/953225379.db2.gz	KAYQMNVNZWHABN-IEBWSBKVSA-N	1	0	353.422	1.923	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]CC3CC(C)C3)[C@H](OCC)C2)nn1	ZINC001087089797	953253255	/nfs/dbraw/zinc/25/32/55/953253255.db2.gz	FCXVOCUNCQSDNM-AJTLQJAISA-N	1	0	361.490	1.577	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ccccc3)[C@H](OCC)C2)nn1	ZINC001087090120	953254016	/nfs/dbraw/zinc/25/40/16/953254016.db2.gz	VZEUSGOWMILIQL-IEBWSBKVSA-N	1	0	369.469	1.731	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C[NH2+][C@@H]3CCN(C)C3=O)[C@H](OCC)C2)CC1	ZINC001087079490	953264222	/nfs/dbraw/zinc/26/42/22/953264222.db2.gz	RYRFBROYICLUQG-KZNAEPCWSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C3(CC)CC3)C[C@H]2OCC)C1=O	ZINC001087081021	953267207	/nfs/dbraw/zinc/26/72/07/953267207.db2.gz	RHTCGODWQLCNRG-BRWVUGGUSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cccnc3)[C@H](OCC)C2)cn1	ZINC001087097237	953284439	/nfs/dbraw/zinc/28/44/39/953284439.db2.gz	DESZHMUCYVMMPK-UYAOXDASSA-N	1	0	364.449	1.725	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]C[C@@H]3CCOC3)[C@H](OCC)C2)cn1	ZINC001087097235	953284489	/nfs/dbraw/zinc/28/44/89/953284489.db2.gz	DEEUUIOSHLZCML-KVSKMBFKSA-N	1	0	357.454	1.166	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cnc4ccccn4c3=O)C[C@]2(C)C1	ZINC001091792924	953315708	/nfs/dbraw/zinc/31/57/08/953315708.db2.gz	UHYJWSSWSJYRSU-QRWLVFNGSA-N	1	0	350.422	1.112	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CCN1c1nc(C)cc(C#N)n1	ZINC001091797461	953324480	/nfs/dbraw/zinc/32/44/80/953324480.db2.gz	NOICSBIZGJFRFE-GVDBMIGSSA-N	1	0	358.490	1.716	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)CCN1c1cnc(C#N)cn1	ZINC001091806256	953336176	/nfs/dbraw/zinc/33/61/76/953336176.db2.gz	IKFUDUDQMFCEDP-OWCLPIDISA-N	1	0	362.453	1.502	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(Cc3ccc(F)cc3)CC2)C1	ZINC001196773116	971925969	/nfs/dbraw/zinc/92/59/69/971925969.db2.gz	KIODLRMRLJKKHL-QZTJIDSGSA-N	1	0	362.445	1.512	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1C[C@H]2CCN(c3ccc(C#N)nn3)C[C@H]2C1	ZINC001091859605	953580547	/nfs/dbraw/zinc/58/05/47/953580547.db2.gz	OCKGAAFRDBHCCT-CVEARBPZSA-N	1	0	356.474	1.365	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(-n4cnnn4)cn3)C[C@]2(C)C1	ZINC001091879722	953651650	/nfs/dbraw/zinc/65/16/50/953651650.db2.gz	PNIFQAPNBSZUCY-KDOFPFPSSA-N	1	0	353.430	1.027	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)[C@H]4C[C@H]5C[C@H]5C4)C[C@]3(C)C2)C1=O	ZINC001091941209	953794519	/nfs/dbraw/zinc/79/45/19/953794519.db2.gz	BGXJJHQMCOCOQL-TUYFDIECSA-N	1	0	357.498	1.600	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3COCCN3C3CCCC3)C[C@]2(C)C1	ZINC001091946749	953810163	/nfs/dbraw/zinc/81/01/63/953810163.db2.gz	KLPHTMQABKLKPE-QFUCXCTJSA-N	1	0	359.514	1.433	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1CCN(c2nc(C)cc(C#N)n2)[C@@H]1C	ZINC001092017529	954073126	/nfs/dbraw/zinc/07/31/26/954073126.db2.gz	CYLYQHLLOACCCB-KBMXLJTQSA-N	1	0	362.453	1.420	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4[nH]c(C)nc4C)C[C@]3(C)C2)C1=O	ZINC001092022742	954097076	/nfs/dbraw/zinc/09/70/76/954097076.db2.gz	CBCFTRQWZSAKTO-QINHECLXSA-N	1	0	371.485	1.207	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CCN1c1ccnc(C#N)n1	ZINC001092025309	954108108	/nfs/dbraw/zinc/10/81/08/954108108.db2.gz	MPIGXBQOCKUEJW-ZBFHGGJFSA-N	1	0	365.441	1.353	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3ccnc(OC)n3)C[C@@]2(C)C1	ZINC001092029795	954129064	/nfs/dbraw/zinc/12/90/64/954129064.db2.gz	IJPTUQDQZFKQKM-PYQAKABTSA-N	1	0	372.469	1.357	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc(S(C)(=O)=O)o3)C[C@]2(C)C1	ZINC001092064156	954187707	/nfs/dbraw/zinc/18/77/07/954187707.db2.gz	IUDJAQNJCCGRQD-DYVFJYSZSA-N	1	0	352.456	1.653	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)c4cnon4)C[C@]3(C)C2)cc1C#N	ZINC001092116376	954353129	/nfs/dbraw/zinc/35/31/29/954353129.db2.gz	YPOOXWLWGWCGIG-BEFAXECRSA-N	1	0	367.409	1.544	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@H+](C[C@@H]4CCCOC4)C[C@@]3(C)C2)nc1	ZINC001092211900	954620514	/nfs/dbraw/zinc/62/05/14/954620514.db2.gz	SXJBZKDSFMHKQF-UEXGIBASSA-N	1	0	353.466	1.883	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccccc3-n3cnnn3)C[C@]2(C)C1	ZINC001092267190	954636576	/nfs/dbraw/zinc/63/65/76/954636576.db2.gz	MUXRZUXKCIODRN-BEFAXECRSA-N	1	0	350.426	1.080	20	30		FDEDRO
Cc1nonc1C(=O)N1C[C@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@@]2(C)C1	ZINC001092320721	954835007	/nfs/dbraw/zinc/83/50/07/954835007.db2.gz	WBQUMACYUWGNQG-UZLBHIALSA-N	1	0	368.412	1.963	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1C[C@H]2CN(c3nc(C)cc(C#N)n3)C[C@@]2(C)C1	ZINC001092290167	954880817	/nfs/dbraw/zinc/88/08/17/954880817.db2.gz	VXLHDHAXXZEGSY-HNAYVOBHSA-N	1	0	356.474	1.283	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N1C[C@H]2CN(c3nc(C)ccc3C#N)C[C@@]2(C)C1	ZINC001092296123	954906281	/nfs/dbraw/zinc/90/62/81/954906281.db2.gz	UQDWNUPDTVUPME-FXAWDEMLSA-N	1	0	355.486	1.888	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1C[C@H]2CN(c3nc(C)ccc3C#N)C[C@@]2(C)C1	ZINC001092296763	954909769	/nfs/dbraw/zinc/90/97/69/954909769.db2.gz	FOIORYQYONNNFY-FXAWDEMLSA-N	1	0	355.486	1.888	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)c1cc[n+]([O-])cc1	ZINC001092446918	955126853	/nfs/dbraw/zinc/12/68/53/955126853.db2.gz	CBJGIQLPFUQSNM-RDTXWAMCSA-N	1	0	368.412	1.829	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)[C@@H]1CCCO1	ZINC001092448969	955134817	/nfs/dbraw/zinc/13/48/17/955134817.db2.gz	KKVMSGBKBMKHJJ-SUMDDJOVSA-N	1	0	357.454	1.952	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)[C@H]1COCCO1	ZINC001092469575	955202686	/nfs/dbraw/zinc/20/26/86/955202686.db2.gz	DVAVIAGHQPNMFF-SZVBFZGTSA-N	1	0	360.429	1.277	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3ccc(F)nc3)[C@H](C)C2)C1=O	ZINC001092512640	955293623	/nfs/dbraw/zinc/29/36/23/955293623.db2.gz	BOBXFGRMYTZWSO-BMFZPTHFSA-N	1	0	360.433	1.305	20	30		FDEDRO
Cc1c(C(=O)NC[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2C)nnn1C	ZINC001092518390	955303759	/nfs/dbraw/zinc/30/37/59/955303759.db2.gz	PJMVRVCSHDANBT-CXAGYDPISA-N	1	0	352.442	1.493	20	30		FDEDRO
COc1cccc(C[N@H+]2C[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)n1	ZINC001092551078	955401399	/nfs/dbraw/zinc/40/13/99/955401399.db2.gz	IHQPJTKDFVYQIN-ZIAGYGMSSA-N	1	0	353.426	1.788	20	30		FDEDRO
COc1nscc1C[N@H+]1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)[C@H](C)C1	ZINC001092551214	955402917	/nfs/dbraw/zinc/40/29/17/955402917.db2.gz	QMWYWCXVPQVRLP-VXGBXAGGSA-N	1	0	359.455	1.849	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)N2CCCC[C@@H]2C)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC001092552402	955410473	/nfs/dbraw/zinc/41/04/73/955410473.db2.gz	WSMIRQBRCDSIRD-HLLBOEOZSA-N	1	0	371.485	1.585	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1C[C@@H](O)[C@H](NC(=O)CC[C@H](C)CC)C1	ZINC001197138527	972096068	/nfs/dbraw/zinc/09/60/68/972096068.db2.gz	CUXGGECPDYYCLN-BRWVUGGUSA-N	1	0	353.507	1.399	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CCNC(=O)C(C)(C)[NH+]1CCCC1	ZINC001092563517	955468602	/nfs/dbraw/zinc/46/86/02/955468602.db2.gz	QLDPMIOBXOTREF-HZPDHXFCSA-N	1	0	370.501	1.801	20	30		FDEDRO
CCn1nncc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C	ZINC001092589242	955564855	/nfs/dbraw/zinc/56/48/55/955564855.db2.gz	QVRWCRSEIHTYKS-RHSMWYFYSA-N	1	0	352.442	1.668	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCCN(C(=O)[C@H]2OCC[C@H]2C)CC1	ZINC001197187796	972114034	/nfs/dbraw/zinc/11/40/34/972114034.db2.gz	MQBPUKYCVDSVPT-KURKYZTESA-N	1	0	365.518	1.759	20	30		FDEDRO
C=C(Br)CN1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C)C1	ZINC001092610943	955667778	/nfs/dbraw/zinc/66/77/78/955667778.db2.gz	AIIXKEXBLRPAIX-DAXOMENPSA-N	1	0	370.335	1.921	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CCNC(=O)[C@@H]1CCCC[N@@H+]1C	ZINC001092570998	955676797	/nfs/dbraw/zinc/67/67/97/955676797.db2.gz	HNXSJBLWMLLGEG-INMHGKMJSA-N	1	0	356.474	1.411	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1CNC(=O)c1cn(C)nn1	ZINC001092579905	955712086	/nfs/dbraw/zinc/71/20/86/955712086.db2.gz	MAZZTVPOYKVOGW-GDBMZVCRSA-N	1	0	371.872	1.818	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1C	ZINC001092617155	955829394	/nfs/dbraw/zinc/82/93/94/955829394.db2.gz	DGGDCECBRITTJX-OWYHZJEWSA-N	1	0	360.502	1.628	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNc2cnc(C#N)cn2)C1	ZINC001092619011	955843604	/nfs/dbraw/zinc/84/36/04/955843604.db2.gz	ZSPROUZAIRKPHI-HZPDHXFCSA-N	1	0	358.490	1.977	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)[C@]12C[C@H]1COC2	ZINC001092624779	955873834	/nfs/dbraw/zinc/87/38/34/955873834.db2.gz	JEFRYABKLKUKHW-JPUXWFAOSA-N	1	0	357.429	1.918	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H](CNC(=O)[C@]34C[C@H]3COC4)[C@H](C)C2)cc1C#N	ZINC001092624776	955874730	/nfs/dbraw/zinc/87/47/30/955874730.db2.gz	IYNVKKLRQSVBLD-XXLATIFVSA-N	1	0	369.465	1.787	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CCNc1cncc(C#N)n1	ZINC001092626331	955879397	/nfs/dbraw/zinc/87/93/97/955879397.db2.gz	OLKOTSIUZQQPML-HUUCEWRRSA-N	1	0	356.474	1.587	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)c3cccc(CC)n3)[C@H](C)C2)C1=O	ZINC001092682277	956015445	/nfs/dbraw/zinc/01/54/45/956015445.db2.gz	AZLTZWDUJKDDLK-GPMSIDNRSA-N	1	0	370.497	1.729	20	30		FDEDRO
Cc1nsc(NC[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)c1C#N	ZINC001092653606	956042036	/nfs/dbraw/zinc/04/20/36/956042036.db2.gz	JAVSMHGEAXIUFH-TZMCWYRMSA-N	1	0	365.503	1.408	20	30		FDEDRO
CCC[N@H+](C)CC(=O)NC[C@]12CCC[C@H]1N(c1nccnc1C#N)CC2	ZINC001092701030	956091820	/nfs/dbraw/zinc/09/18/20/956091820.db2.gz	PHPKJHRWKSOTFN-VQIMIIECSA-N	1	0	356.474	1.555	20	30		FDEDRO
CC[C@H](C(=O)NC[C@]12CCC[C@H]1N(c1nccnc1C#N)CC2)[NH+](C)C	ZINC001092701603	956094796	/nfs/dbraw/zinc/09/47/96/956094796.db2.gz	FWJXEMIZOPVUHT-GPMSIDNRSA-N	1	0	356.474	1.554	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)c1cnc[nH]c1=O	ZINC001092711075	956144573	/nfs/dbraw/zinc/14/45/73/956144573.db2.gz	NMLGHCNZTSFGJQ-IUODEOHRSA-N	1	0	369.400	1.691	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)NC[C@]12CCC[C@H]1N(c1ccnc(C#N)n1)CC2	ZINC001092712701	956149545	/nfs/dbraw/zinc/14/95/45/956149545.db2.gz	DUUVYYMSNIASHP-RZQQEMMASA-N	1	0	368.485	1.698	20	30		FDEDRO
C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2nc(OC)cc(OC)n2)[C@H](C)C1	ZINC001092730034	956213050	/nfs/dbraw/zinc/21/30/50/956213050.db2.gz	FYOPVXNIODKPRR-ZYHUDNBSSA-N	1	0	354.838	1.544	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2cnc3c(c2)NC(=O)CO3)[C@H](C)C1	ZINC001092784346	956446249	/nfs/dbraw/zinc/44/62/49/956446249.db2.gz	CADMNDFCBZAPRP-ZWNOBZJWSA-N	1	0	364.833	1.463	20	30		FDEDRO
Cc1ccc(C#N)c(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C3)n1	ZINC001092907956	956743616	/nfs/dbraw/zinc/74/36/16/956743616.db2.gz	AHFFXPXUEIJQIS-IKGGRYGDSA-N	1	0	353.470	1.829	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]2C)c1	ZINC001092954134	956892968	/nfs/dbraw/zinc/89/29/68/956892968.db2.gz	IKHUZSVJGIPHJN-VQIMIIECSA-N	1	0	368.481	1.373	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1	ZINC001092927036	956932329	/nfs/dbraw/zinc/93/23/29/956932329.db2.gz	RQFWCTGXKYDXHK-FZKCQIBNSA-N	1	0	354.458	1.449	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)c1cn(C)c(=O)[nH]1	ZINC001092937031	956959276	/nfs/dbraw/zinc/95/92/76/956959276.db2.gz	LYLSURMCHPZFIC-CZUORRHYSA-N	1	0	353.426	1.495	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncccc1C#N	ZINC001092977510	956974426	/nfs/dbraw/zinc/97/44/26/956974426.db2.gz	UQQCARDQWCDMJR-DDBAPUKQSA-N	1	0	369.469	1.147	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@H]21	ZINC000962009852	1013152091	/nfs/dbraw/zinc/15/20/91/1013152091.db2.gz	ARYKWTLMHGYRQN-APWQULEDSA-N	1	0	361.486	1.027	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)[C@H](C)C1	ZINC001093044045	957207814	/nfs/dbraw/zinc/20/78/14/957207814.db2.gz	VFTKFKAEYHZFNI-PHXBYCTMSA-N	1	0	370.497	1.861	20	30		FDEDRO
C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1snc(Cl)c1C#N	ZINC001093045018	957208483	/nfs/dbraw/zinc/20/84/83/957208483.db2.gz	RTLFAAUYOZBQKC-JLLWLGSASA-N	1	0	353.879	1.846	20	30		FDEDRO
C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1)CC(C)(C)C	ZINC001093047146	957212309	/nfs/dbraw/zinc/21/23/09/957212309.db2.gz	LEWJTESFHDSMEU-KFWWJZLASA-N	1	0	356.474	1.552	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)c1cnn(C)n1	ZINC001093051546	957225267	/nfs/dbraw/zinc/22/52/67/957225267.db2.gz	AAUYNMNBQSKRDQ-IUODEOHRSA-N	1	0	356.405	1.324	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3cnn(C)c3)C[C@H]2C)nn1	ZINC001093035492	957254628	/nfs/dbraw/zinc/25/46/28/957254628.db2.gz	GSAXBIVTMZTJJY-GDBMZVCRSA-N	1	0	357.462	1.086	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3cnoc3C)C[C@H]2C)nn1	ZINC001093040378	957264269	/nfs/dbraw/zinc/26/42/69/957264269.db2.gz	NUJKONLZOKBIBK-UKRRQHHQSA-N	1	0	358.446	1.649	20	30		FDEDRO
C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncc(C#N)cc1F)C1CCC1	ZINC001093057644	957278562	/nfs/dbraw/zinc/27/85/62/957278562.db2.gz	JRJAEZXFLJKMMN-OIISXLGYSA-N	1	0	357.433	1.803	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2nccnc2C#N)C1	ZINC001093114156	957552254	/nfs/dbraw/zinc/55/22/54/957552254.db2.gz	NSPOXBZKNDNJJG-DGCLKSJQSA-N	1	0	370.379	1.491	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NC[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1C	ZINC001093118026	957568611	/nfs/dbraw/zinc/56/86/11/957568611.db2.gz	ACFYSXJGECUOAD-NVXWUHKLSA-N	1	0	369.469	1.878	20	30		FDEDRO
CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(CNc2ccncc2C#N)C1	ZINC001093123901	957586268	/nfs/dbraw/zinc/58/62/68/957586268.db2.gz	GNGWBESTCWSTER-PXNSSMCTSA-N	1	0	355.486	1.756	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1C[C@@H]2CCC[C@]2(CNc2cnc(C#N)cn2)C1	ZINC001093124055	957587500	/nfs/dbraw/zinc/58/75/00/957587500.db2.gz	MNAJANAOBRVMBF-KXBFYZLASA-N	1	0	356.474	1.731	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)[C@H](C)C1	ZINC001093139497	957633696	/nfs/dbraw/zinc/63/36/96/957633696.db2.gz	GPQLKYWZSYPONM-XYPHTWIQSA-N	1	0	370.453	1.030	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)c1cccn(C)c1=O	ZINC001093139587	957633894	/nfs/dbraw/zinc/63/38/94/957633894.db2.gz	KWMPHVMSUJDAEJ-CRAIPNDOSA-N	1	0	364.449	1.755	20	30		FDEDRO
CCc1nc(C#N)cc(NC[C@]23CCC[C@H]2CN(C(=O)CC[NH+](C)C)C3)n1	ZINC001093129533	957670276	/nfs/dbraw/zinc/67/02/76/957670276.db2.gz	BEXXUAKAQKNYPF-YWZLYKJASA-N	1	0	370.501	1.903	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)c2ccc(-n3cnnn3)cc2)[C@H](C)C1	ZINC001093179621	957688129	/nfs/dbraw/zinc/68/81/29/957688129.db2.gz	GRMZLAXNVOZJLY-NVXWUHKLSA-N	1	0	354.458	1.926	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)c1ccn(C)n1	ZINC001093195910	957760149	/nfs/dbraw/zinc/76/01/49/957760149.db2.gz	VYVGUHUZTGLBQR-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3ncoc3C)C[C@H]2C)C1=O	ZINC001093270965	957937833	/nfs/dbraw/zinc/93/78/33/957937833.db2.gz	DKCBVTMOKJAFDL-BMFZPTHFSA-N	1	0	360.458	1.458	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3cnsn3)C[C@H]2C)C1=O	ZINC001093271608	957938686	/nfs/dbraw/zinc/93/86/86/957938686.db2.gz	JZVBMUIEFGVJRE-MGPQQGTHSA-N	1	0	363.487	1.013	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)Cc3cccnc3)C[C@H]2C)C1=O	ZINC001093273863	957943006	/nfs/dbraw/zinc/94/30/06/957943006.db2.gz	IHTHSDIABKQQMO-BHIYHBOVSA-N	1	0	370.497	1.485	20	30		FDEDRO
C=C[C@@H]1C[C@@]1(NC(=O)c1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C(=O)OCC	ZINC001197619186	972311986	/nfs/dbraw/zinc/31/19/86/972311986.db2.gz	HNBYZXWQKUIZSL-HLIPFELVSA-N	1	0	358.438	1.491	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(C)c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093430304	958051449	/nfs/dbraw/zinc/05/14/49/958051449.db2.gz	LFBLOOWBCZSHJL-FTEYMNFISA-N	1	0	360.502	1.884	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093432095	958057510	/nfs/dbraw/zinc/05/75/10/958057510.db2.gz	AFHTXQAPPZMBLN-XLMAVXFVSA-N	1	0	366.893	1.752	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093432129	958057643	/nfs/dbraw/zinc/05/76/43/958057643.db2.gz	BCBPGWKAADXSRI-FTEYMNFISA-N	1	0	358.486	1.941	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc(=O)[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093438950	958073221	/nfs/dbraw/zinc/07/32/21/958073221.db2.gz	HXFRICWSTLLVMK-QQTQMKHKSA-N	1	0	359.470	1.943	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnnc(C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093444053	958088323	/nfs/dbraw/zinc/08/83/23/958088323.db2.gz	YQZUHSFWUSGXFL-FTEYMNFISA-N	1	0	358.486	1.941	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093444331	958089109	/nfs/dbraw/zinc/08/91/09/958089109.db2.gz	RUDNNWQWVYZWEH-KBEGMRNHSA-N	1	0	366.893	1.752	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnnn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093447182	958098619	/nfs/dbraw/zinc/09/86/19/958098619.db2.gz	SBYDDLTYVWMLDV-DNNBLBMLSA-N	1	0	367.881	1.147	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccncc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093447449	958099871	/nfs/dbraw/zinc/09/98/71/958099871.db2.gz	VQMNBYVZZVDRAD-UKAVVXHISA-N	1	0	355.482	1.532	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)nc(C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093447811	958103495	/nfs/dbraw/zinc/10/34/95/958103495.db2.gz	ADOVJVLCIRHTKT-WERVVEIQSA-N	1	0	355.482	1.911	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc4c[nH]ccc-4n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093449434	958116165	/nfs/dbraw/zinc/11/61/65/958116165.db2.gz	GWYKGFJJSWTTIG-ANTGDGSKSA-N	1	0	366.465	1.776	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc4n(n3)CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093450039	958121076	/nfs/dbraw/zinc/12/10/76/958121076.db2.gz	SJWBNXXBTLKFMY-XSYGEPLQSA-N	1	0	356.470	1.042	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc4n[nH]nc4n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093450505	958125474	/nfs/dbraw/zinc/12/54/74/958125474.db2.gz	VHPPLKOUASKSQB-JEWRLFTDSA-N	1	0	370.457	1.119	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C)nc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093450936	958129525	/nfs/dbraw/zinc/12/95/25/958129525.db2.gz	PWIOLJHGDIPVGW-SOAMZJECSA-N	1	0	360.502	1.748	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncc(C)cc3OC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093451627	958134303	/nfs/dbraw/zinc/13/43/03/958134303.db2.gz	WESXNLJZRLYFCW-NVEXJGOOSA-N	1	0	371.481	1.612	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(N(C)C)nc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452216	958138379	/nfs/dbraw/zinc/13/83/79/958138379.db2.gz	FIMFVEDMHXIIIW-VGUOSERISA-N	1	0	370.497	1.361	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc4cn[nH]c43)[C@H]2C(C)C)C[C@H]1O	ZINC001093460255	958188985	/nfs/dbraw/zinc/18/89/85/958188985.db2.gz	RAVGLPHOFFHGFK-REHHDOPLSA-N	1	0	366.465	1.776	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)nc[nH]c3=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001093460735	958190450	/nfs/dbraw/zinc/19/04/50/958190450.db2.gz	XCWKGLGGSMPIKD-NPNMTCQASA-N	1	0	360.458	1.256	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cc(Cl)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093465261	958202910	/nfs/dbraw/zinc/20/29/10/958202910.db2.gz	IXLIYQVDSHXWHX-AHCXZYCDSA-N	1	0	366.893	1.689	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(CF)CCOCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093467129	958213269	/nfs/dbraw/zinc/21/32/69/958213269.db2.gz	SWWMSEJTJZBFEI-PDOICOKGSA-N	1	0	366.477	1.352	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(CC)nn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093469575	958221811	/nfs/dbraw/zinc/22/18/11/958221811.db2.gz	IBLNRZURGHZRHL-UIXUWTQFSA-N	1	0	360.502	1.748	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnoc3C3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093470882	958232137	/nfs/dbraw/zinc/23/21/37/958232137.db2.gz	ATRGNAAOIGJUIN-ZTRFORPCSA-N	1	0	357.454	1.765	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(OC)cc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093471989	958236871	/nfs/dbraw/zinc/23/68/71/958236871.db2.gz	HKJPNNQSKCQHIF-XCJLJZCSSA-N	1	0	356.466	1.908	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COc3ccccc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093473410	958243778	/nfs/dbraw/zinc/24/37/78/958243778.db2.gz	NWJMBDLKUILIBH-QCFAMHMHSA-N	1	0	356.466	1.665	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccccc3OC)[C@H]2C(C)C)C[C@H]1O	ZINC001093473465	958244479	/nfs/dbraw/zinc/24/44/79/958244479.db2.gz	ODLKBKUMDBWLPH-REHHDOPLSA-N	1	0	356.466	1.908	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3sc(C)nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093477294	958256954	/nfs/dbraw/zinc/25/69/54/958256954.db2.gz	GVOGYWAAOWBBGW-RRIFGTCXSA-N	1	0	361.511	1.973	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)c3cccnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093453099	958261393	/nfs/dbraw/zinc/26/13/93/958261393.db2.gz	TVBFHDNDKCSICH-JPAWQOSXSA-N	1	0	369.509	1.959	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(C)c3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001093453485	958263002	/nfs/dbraw/zinc/26/30/02/958263002.db2.gz	WDUKBPVYQKHBEX-LBKNJMOBSA-N	1	0	358.486	1.195	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc(Cl)n3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093453914	958263705	/nfs/dbraw/zinc/26/37/05/958263705.db2.gz	YAMSLBUGABYAJH-TXPWEPMLSA-N	1	0	366.893	1.839	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3nc(C)no3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093454252	958267228	/nfs/dbraw/zinc/26/72/28/958267228.db2.gz	AWAQJLKACOBYRI-RGCFKVTRSA-N	1	0	362.474	1.463	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)nn(C)c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093454928	958270739	/nfs/dbraw/zinc/27/07/39/958270739.db2.gz	IHWMWAOIQFBZNB-QQTQMKHKSA-N	1	0	358.486	1.250	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cncc(C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093455363	958273295	/nfs/dbraw/zinc/27/32/95/958273295.db2.gz	MJMWRISXWKBTAF-QCFAMHMHSA-N	1	0	355.482	1.532	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc4ncnn43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093456523	958277980	/nfs/dbraw/zinc/27/79/80/958277980.db2.gz	FEKSYLVGGLHBNH-ODZKNYGOSA-N	1	0	369.469	1.495	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnc4n[nH]nc43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093457454	958279866	/nfs/dbraw/zinc/27/98/66/958279866.db2.gz	KBVNDOQJWICGBB-UMHPPVOVSA-N	1	0	370.457	1.119	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(N(C)C)ccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093477870	958290055	/nfs/dbraw/zinc/29/00/55/958290055.db2.gz	AEBJVZXWLCQMQO-WERVVEIQSA-N	1	0	370.497	1.361	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccccc3N(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001093478289	958293921	/nfs/dbraw/zinc/29/39/21/958293921.db2.gz	DJHUCCIHUGNKQI-PBVWOCPUSA-N	1	0	369.509	1.966	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CCCOC)c2)C1	ZINC001197644365	972335053	/nfs/dbraw/zinc/33/50/53/972335053.db2.gz	LWVCINQAXXROET-USXIJHARSA-N	1	0	350.463	1.049	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3ccnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093479501	958298788	/nfs/dbraw/zinc/29/87/88/958298788.db2.gz	KHFAOQBTWRMHKN-LMSBXDPUSA-N	1	0	366.893	1.602	20	30		FDEDRO
C#CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@H]2OCC[C@H]2CC)CC1	ZINC001093487575	958309788	/nfs/dbraw/zinc/30/97/88/958309788.db2.gz	ISTDQBLHGYUKQX-LMCOJAPRSA-N	1	0	359.514	1.574	20	30		FDEDRO
C#CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@@H]2CCO[C@H]2CC)CC1	ZINC001093489153	958311706	/nfs/dbraw/zinc/31/17/06/958311706.db2.gz	ZIWHFUFJUABALI-WCIQWLHISA-N	1	0	359.514	1.574	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN2C(N)=O)C1	ZINC001197651078	972337404	/nfs/dbraw/zinc/33/74/04/972337404.db2.gz	WBMMFFRISKMOAH-BZUAXINKSA-N	1	0	354.495	1.051	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)/C=C\c3ccco3)C[C@H]2C)C1=O	ZINC001093616617	958377928	/nfs/dbraw/zinc/37/79/28/958377928.db2.gz	ZKRMFTOQOBPVRW-VCKBAZOKSA-N	1	0	357.454	1.764	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3ccc(C)n3C)C[C@H]2C)C1=O	ZINC001093634948	958396985	/nfs/dbraw/zinc/39/69/85/958396985.db2.gz	CASSZTGZSUIQAJ-DJIMGWMZSA-N	1	0	358.486	1.418	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3ccc(C)n3C)C[C@H]2C)C1=O	ZINC001093634949	958397472	/nfs/dbraw/zinc/39/74/72/958397472.db2.gz	CASSZTGZSUIQAJ-OIISXLGYSA-N	1	0	358.486	1.418	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093670064	958450748	/nfs/dbraw/zinc/45/07/48/958450748.db2.gz	VOFASGMHICBDLP-DNVCBOLYSA-N	1	0	351.454	1.719	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@H]1C	ZINC001093665044	958463373	/nfs/dbraw/zinc/46/33/73/958463373.db2.gz	NEJYEYNOQGSKAR-QGPMSJSTSA-N	1	0	357.454	1.787	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001093666085	958466317	/nfs/dbraw/zinc/46/63/17/958466317.db2.gz	AGBOSJWSDFSULO-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
COc1cncc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)n1	ZINC001093699961	958566686	/nfs/dbraw/zinc/56/66/86/958566686.db2.gz	RLVJKDLFNNNYHM-TZMCWYRMSA-N	1	0	354.414	1.183	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1cccc(C(N)=O)c1)C2	ZINC001110148264	958570536	/nfs/dbraw/zinc/57/05/36/958570536.db2.gz	QYEGFWUJONCSMG-NJAFHUGGSA-N	1	0	373.453	1.088	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1cccc(C(N)=O)c1	ZINC001093722446	958598347	/nfs/dbraw/zinc/59/83/47/958598347.db2.gz	DOQFLSVUVUQDNL-CZUORRHYSA-N	1	0	365.437	1.483	20	30		FDEDRO
COc1cccc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)n1	ZINC001093722631	958599762	/nfs/dbraw/zinc/59/97/62/958599762.db2.gz	WMMYOSKSQHDPPK-ZIAGYGMSSA-N	1	0	353.426	1.788	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+][C@@H]1CCN(C(C)(C)C)C1=O	ZINC001093726061	958612322	/nfs/dbraw/zinc/61/23/22/958612322.db2.gz	OATXOSJBGNMIOS-FRFSOERESA-N	1	0	371.485	1.583	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C3(C(F)F)CC3)C[C@H]2C)C1=O	ZINC001093767090	958714770	/nfs/dbraw/zinc/71/47/70/958714770.db2.gz	LYWHERGEKAFVLN-MCIONIFRSA-N	1	0	355.429	1.503	20	30		FDEDRO
CCN1C[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)cc3)[C@H](C)C2)CC1=O	ZINC001093805134	958844068	/nfs/dbraw/zinc/84/40/68/958844068.db2.gz	XBLJDVKCRHHZOG-AYOQOUSVSA-N	1	0	368.481	1.611	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ncc(C)cn2)[C@H](C)C1	ZINC001093778646	958874436	/nfs/dbraw/zinc/87/44/36/958874436.db2.gz	CMKONDZKXQMTLF-TVFCKZIOSA-N	1	0	358.486	1.950	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnnn2CC)[C@H](C)C1	ZINC001093778719	958874545	/nfs/dbraw/zinc/87/45/45/958874545.db2.gz	HAMFWXPWUWQYHP-AHCXZYCDSA-N	1	0	361.490	1.463	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2csnn2)[C@H](C)C1	ZINC001093778693	958874785	/nfs/dbraw/zinc/87/47/85/958874785.db2.gz	GFFPWMZHPLZTNI-XOUADPBQSA-N	1	0	350.488	1.703	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnc(C)s2)[C@H](C)C1	ZINC001093830891	958922256	/nfs/dbraw/zinc/92/22/56/958922256.db2.gz	XQXKXFOYTIUMDE-KYJSFNMBSA-N	1	0	360.527	1.733	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)Cc3cnccc3C)C[C@H]2C)C1=O	ZINC001093832982	958927484	/nfs/dbraw/zinc/92/74/84/958927484.db2.gz	LTRKBWDYKWUWMV-BHIYHBOVSA-N	1	0	370.497	1.404	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCC(=O)NC2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093816702	959006336	/nfs/dbraw/zinc/00/63/36/959006336.db2.gz	QQIKUZLEJLOBSE-ATZDWAIDSA-N	1	0	368.481	1.659	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)NC2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093817544	959014099	/nfs/dbraw/zinc/01/40/99/959014099.db2.gz	YPVQXJYPJVJBCX-AYOQOUSVSA-N	1	0	368.481	1.659	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)ccc2=O)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093908099	959298497	/nfs/dbraw/zinc/29/84/97/959298497.db2.gz	OLJPYDQQFCDGRX-CRAIPNDOSA-N	1	0	364.449	1.755	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3n[nH]nc3C)C[C@H]2C)cc1C#N	ZINC001093958917	959358254	/nfs/dbraw/zinc/35/82/54/959358254.db2.gz	OHIQSLFTZPCIBE-MLGOLLRUSA-N	1	0	368.441	1.491	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)c3cnc(C)cn3)[C@H](C)C2)nn1	ZINC001094095174	959771044	/nfs/dbraw/zinc/77/10/44/959771044.db2.gz	IBBUTWBPPDGQEB-VNQPRFMTSA-N	1	0	369.473	1.621	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3cc4n(n3)CCC4)[C@H](C)C2)nn1	ZINC001094095841	959774211	/nfs/dbraw/zinc/77/42/11/959774211.db2.gz	YYQRRWBDELAXHW-HUUCEWRRSA-N	1	0	369.473	1.105	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3cnc(C)nc3C)C[C@H]2C)C1=O	ZINC001094117060	959810869	/nfs/dbraw/zinc/81/08/69/959810869.db2.gz	GDKNFQQTIUDTGR-MZMPZRCHSA-N	1	0	371.485	1.178	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001094125874	959832267	/nfs/dbraw/zinc/83/22/67/959832267.db2.gz	JRSBELOUAWFISH-CZUORRHYSA-N	1	0	353.401	1.985	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001094132572	959855865	/nfs/dbraw/zinc/85/58/65/959855865.db2.gz	MAIDQSRYXJXOJW-CZUORRHYSA-N	1	0	355.417	1.847	20	30		FDEDRO
COc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cccc(C#N)c3)[C@H](C)C2)nn1	ZINC001094148778	959906907	/nfs/dbraw/zinc/90/69/07/959906907.db2.gz	GPZMXELOGKOGRB-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ccnc(OC)n3)[C@H](C)C2)cn1	ZINC001094174456	959977524	/nfs/dbraw/zinc/97/75/24/959977524.db2.gz	ITYHBXLFGLCMFV-GDBMZVCRSA-N	1	0	365.437	1.359	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2C(=O)N(C)C)C1	ZINC001197851422	972476540	/nfs/dbraw/zinc/47/65/40/972476540.db2.gz	ONKREADRBZXXTR-ZTFGCOKTSA-N	1	0	359.470	1.518	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2C[C@@H](C[NH2+][C@@H]3CCNC3=O)[C@H](C)C2)cc1	ZINC001094245244	960175520	/nfs/dbraw/zinc/17/55/20/960175520.db2.gz	GEMGFEUEYMXUOF-SZVBFZGTSA-N	1	0	371.481	1.367	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)N2CCCC2)CC3)c[nH]1	ZINC001094393618	960340899	/nfs/dbraw/zinc/34/08/99/960340899.db2.gz	OAVMBCHBBGVINL-YLJYHZDGSA-N	1	0	369.469	1.483	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@H]4CCC(=O)N4)CCC[C@@H]23)c1	ZINC001094378885	960371295	/nfs/dbraw/zinc/37/12/95/960371295.db2.gz	WAJTUKDIVSBAHO-DBXWQHBBSA-N	1	0	366.465	1.698	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cn([C@@H]4CCOC4)nc3C)CCC[C@@H]12	ZINC001094416536	960407540	/nfs/dbraw/zinc/40/75/40/960407540.db2.gz	YPBIDMVQUMMEKJ-YVWKXTFCSA-N	1	0	356.470	1.761	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(C)C)CC2	ZINC001094418105	960410695	/nfs/dbraw/zinc/41/06/95/960410695.db2.gz	LIJIVRIFAWLAHT-AXVVYFOYSA-N	1	0	363.502	1.417	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3[nH]c(C)c(C(N)=O)c3CC)CCC[C@@H]12	ZINC001094433114	960443321	/nfs/dbraw/zinc/44/33/21/960443321.db2.gz	RLBANCSTVNWQSO-IIBYNOLFSA-N	1	0	370.497	1.982	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnoc1C)CC2	ZINC001094436785	960481130	/nfs/dbraw/zinc/48/11/30/960481130.db2.gz	ILICQQAXHMMEKL-QKNQBKEWSA-N	1	0	370.497	1.941	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CN(C)C[C@@H](C)O3)CCC[C@@H]12	ZINC001094446779	960515716	/nfs/dbraw/zinc/51/57/16/960515716.db2.gz	HCBPTTPQZUQABR-YFHUEUNASA-N	1	0	355.910	1.819	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4c(cc[nH]c4=O)n3)CCC[C@@H]12	ZINC001094451272	960528806	/nfs/dbraw/zinc/52/88/06/960528806.db2.gz	VEORGHDLGFGRTC-YLJYHZDGSA-N	1	0	350.422	1.943	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC4N=NC(=O)N4C3)CCC[C@@H]12	ZINC001094453095	960531353	/nfs/dbraw/zinc/53/13/53/960531353.db2.gz	MPKCLNLVFPMACZ-SPYBWZPUSA-N	1	0	359.474	1.483	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3coc(S(N)(=O)=O)c3)CCC[C@@H]12	ZINC001094451673	960531797	/nfs/dbraw/zinc/53/17/97/960531797.db2.gz	ZPLZSDBUIQORDI-CZUORRHYSA-N	1	0	353.444	1.087	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c(s2)CCOC3)C1	ZINC001197881687	972515001	/nfs/dbraw/zinc/51/50/01/972515001.db2.gz	YDHMRBSMCTVMEE-BPLDGKMQSA-N	1	0	350.484	1.950	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cc4c(=O)[nH]c(C)cn4n3)CCC[C@@H]12	ZINC001094478259	960653636	/nfs/dbraw/zinc/65/36/36/960653636.db2.gz	TWLBWTAFLDXBLQ-YLJYHZDGSA-N	1	0	367.453	1.329	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(CNC(C)=O)s3)CCC[C@@H]12	ZINC001094524507	960721052	/nfs/dbraw/zinc/72/10/52/960721052.db2.gz	HGVIDYVCVHCTBY-IEBWSBKVSA-N	1	0	359.495	1.992	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(S(C)(=O)=O)o3)CCC[C@@H]12	ZINC001094527782	960728054	/nfs/dbraw/zinc/72/80/54/960728054.db2.gz	FIOQCDCYJFULQI-RHSMWYFYSA-N	1	0	352.456	1.844	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(-n4ccnc4)nn3)CCC[C@@H]12	ZINC001094535771	960754379	/nfs/dbraw/zinc/75/43/79/960754379.db2.gz	NNVXOEWTUOKENS-YLJYHZDGSA-N	1	0	364.453	1.660	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnn4cccc(OC)c34)CCC[C@@H]12	ZINC001094537191	960759115	/nfs/dbraw/zinc/75/91/15/960759115.db2.gz	QHMFESIZDGYNLR-YLJYHZDGSA-N	1	0	352.438	1.951	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(C(=O)NC)n3)CCC[C@@H]12	ZINC001094571862	960845735	/nfs/dbraw/zinc/84/57/35/960845735.db2.gz	JEJAFXGSIUVSEF-YLJYHZDGSA-N	1	0	356.470	1.992	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCS(=O)(=O)N3)CCC[C@@H]12	ZINC001094581300	960876036	/nfs/dbraw/zinc/87/60/36/960876036.db2.gz	UYEVYLGMTQSGDF-ZMSDIMECSA-N	1	0	355.504	1.005	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C[C@@]1(C)C[NH2+]CC(=O)NCC#N	ZINC001181541258	960923410	/nfs/dbraw/zinc/92/34/10/960923410.db2.gz	OANQBLVBYUHNHJ-ISIBIEBGSA-N	1	0	358.486	1.303	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)CC1	ZINC000954044873	1013220438	/nfs/dbraw/zinc/22/04/38/1013220438.db2.gz	VGOQGQHNJLSAPK-OTWHNJEPSA-N	1	0	357.498	1.580	20	30		FDEDRO
C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1	ZINC000773948415	961178566	/nfs/dbraw/zinc/17/85/66/961178566.db2.gz	MJRMAOWEVZVGSG-HNNXBMFYSA-N	1	0	356.470	1.636	20	30		FDEDRO
C[NH+]1CCC(C)(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1	ZINC001181985545	961306095	/nfs/dbraw/zinc/30/60/95/961306095.db2.gz	YBADISSWIGNKET-CQSZACIVSA-N	1	0	350.463	1.690	20	30		FDEDRO
C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@@H+]([C@H]1CCN(C3CC3)C(=O)C1)C2	ZINC001172011900	961384477	/nfs/dbraw/zinc/38/44/77/961384477.db2.gz	SZSBPTRQFVXWHX-RXVVDRJESA-N	1	0	374.529	1.323	20	30		FDEDRO
CCN1CC[C@H]([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1=O	ZINC001172031178	961417773	/nfs/dbraw/zinc/41/77/73/961417773.db2.gz	HBFLVYRKCCGGJY-SFHVURJKSA-N	1	0	354.454	1.763	20	30		FDEDRO
CCN1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3C#N)CC2)CC1=O	ZINC001172033023	961420267	/nfs/dbraw/zinc/42/02/67/961420267.db2.gz	VKSSUJXLCNDIGW-QGZVFWFLSA-N	1	0	354.454	1.763	20	30		FDEDRO
C[C@@H](CCCC#N)[NH2+][C@H]1CCc2c(ccc(=O)n2CCN2CCOCC2)C1	ZINC001172478986	961666494	/nfs/dbraw/zinc/66/64/94/961666494.db2.gz	GFBRDROLIZSIGV-HKUYNNGSSA-N	1	0	372.513	1.710	20	30		FDEDRO
COC(=O)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1	ZINC001172977150	961859811	/nfs/dbraw/zinc/85/98/11/961859811.db2.gz	DNWBXHWJZMMBKN-BARDWOONSA-N	1	0	367.446	1.446	20	30		FDEDRO
C[C@H]1COCCN1CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1	ZINC001172981288	961864971	/nfs/dbraw/zinc/86/49/71/961864971.db2.gz	LOCYSAQGXPNODE-JYJNAYRXSA-N	1	0	352.479	1.588	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@]2(C)CCS(=O)(=O)C2)C[C@H]1C#N	ZINC001172984894	961869299	/nfs/dbraw/zinc/86/92/99/961869299.db2.gz	NEAFDJRPWPZGSJ-DVOMOZLQSA-N	1	0	357.476	1.445	20	30		FDEDRO
C[NH+]1CCN(C2CN([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C2)CC1	ZINC001172991375	961901265	/nfs/dbraw/zinc/90/12/65/961901265.db2.gz	XRELCCGTEUJBGY-HOTGVXAUSA-N	1	0	363.506	1.210	20	30		FDEDRO
C=CCOC1CCC([N@H+]2CC[C@H]3C(=O)N(CCOC)CCO[C@H]3C2)CC1	ZINC001173322077	962004166	/nfs/dbraw/zinc/00/41/66/962004166.db2.gz	YJBAFEYBHYEISW-GMNCBBECSA-N	1	0	366.502	1.696	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)C1	ZINC001173362854	962055367	/nfs/dbraw/zinc/05/53/67/962055367.db2.gz	HEGZJFGVUWKSQA-FPOVZHCZSA-N	1	0	369.513	1.966	20	30		FDEDRO
N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)C1CCCCC1	ZINC001110300894	962065392	/nfs/dbraw/zinc/06/53/92/962065392.db2.gz	RGNFDNMXJQZSHD-WCXIOVBPSA-N	1	0	351.516	1.906	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2CCCC2=O)C3)cc1	ZINC001095162037	962130149	/nfs/dbraw/zinc/13/01/49/962130149.db2.gz	FFTMLXNEEAZLHX-SQNIBIBYSA-N	1	0	352.438	1.402	20	30		FDEDRO
COCCN1CC[NH+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1	ZINC001173430200	962145765	/nfs/dbraw/zinc/14/57/65/962145765.db2.gz	OITMMLGSHFNDHK-UHFFFAOYSA-N	1	0	356.470	1.427	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1	ZINC001173429811	962145874	/nfs/dbraw/zinc/14/58/74/962145874.db2.gz	WWYALWZEAWLWMF-UHFFFAOYSA-N	1	0	351.454	1.740	20	30		FDEDRO
CCOC(=O)[C@H]1CN(C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CCO1	ZINC001173432823	962152638	/nfs/dbraw/zinc/15/26/38/962152638.db2.gz	JAAFRVOQUHTGGC-GOSISDBHSA-N	1	0	371.437	1.427	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH+]3CCC4(CNC(=O)N4)CC3)CC2)cc1	ZINC001173434155	962156962	/nfs/dbraw/zinc/15/69/62/962156962.db2.gz	FJKAEJMTFIRMLI-UHFFFAOYSA-N	1	0	367.453	1.310	20	30		FDEDRO
COC(=O)[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CCCO1	ZINC001173434112	962156981	/nfs/dbraw/zinc/15/69/81/962156981.db2.gz	DGTSKEGAIXNZEV-SFHVURJKSA-N	1	0	371.437	1.427	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC2CC2)C[C@H]1C#N	ZINC001182557629	962282272	/nfs/dbraw/zinc/28/22/72/962282272.db2.gz	XJOMWHLZFDXMMZ-CVEARBPZSA-N	1	0	362.474	1.832	20	30		FDEDRO
C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)Cc1c[nH]c2cccc(C#N)c12	ZINC001182581025	962320335	/nfs/dbraw/zinc/32/03/35/962320335.db2.gz	HADZDAVVFWYGRA-RBUKOAKNSA-N	1	0	365.481	1.819	20	30		FDEDRO
C#CC(C)(C)C(=O)n1c2ncnc-2c(OCc2ccc(C[NH3+])cc2)nc1N	ZINC001182639033	962351276	/nfs/dbraw/zinc/35/12/76/962351276.db2.gz	UZVVFCANZAEQTF-UHFFFAOYSA-N	1	0	364.409	1.576	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2ccco2)C[C@H]1C	ZINC001182676859	962386353	/nfs/dbraw/zinc/38/63/53/962386353.db2.gz	GBYPFFXFDQNFNH-AXHMDWHKSA-N	1	0	359.470	1.760	20	30		FDEDRO
C[C@@H](CC#N)[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC001173697656	962587370	/nfs/dbraw/zinc/58/73/70/962587370.db2.gz	QEBOVYFVYUDAAP-LBPRGKRZSA-N	1	0	352.416	1.640	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NCCC)C1	ZINC001182869599	962615103	/nfs/dbraw/zinc/61/51/03/962615103.db2.gz	SBJYWEKFTYAENL-NDUPCHFUSA-N	1	0	365.518	1.568	20	30		FDEDRO
N#Cc1ccc(OCC(=O)N(Cc2ccccc2)C2(C[NH3+])COC2)cc1	ZINC001182917045	962661606	/nfs/dbraw/zinc/66/16/06/962661606.db2.gz	PSGAHCRVNSWVOQ-UHFFFAOYSA-N	1	0	351.406	1.694	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N(C)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC001183038725	962750801	/nfs/dbraw/zinc/75/08/01/962750801.db2.gz	HAMNJHDMPAMUQS-INIZCTEOSA-N	1	0	367.490	1.733	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N(C(=S)NC(=O)OC)c1ccccc1N	ZINC001183079699	962780298	/nfs/dbraw/zinc/78/02/98/962780298.db2.gz	DMHQWRLSKWCECE-UHFFFAOYSA-N	1	0	362.455	1.895	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)NCCO[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC001183086630	962784959	/nfs/dbraw/zinc/78/49/59/962784959.db2.gz	ZBHLXCBNVGJQCB-INIZCTEOSA-N	1	0	367.490	1.781	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)n[nH]1)C2	ZINC001110332528	962995186	/nfs/dbraw/zinc/99/51/86/962995186.db2.gz	OPCRMMATHTZUNL-KONPQCLYSA-N	1	0	373.501	1.866	20	30		FDEDRO
COC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OCC#N)cc1	ZINC001110334077	963050388	/nfs/dbraw/zinc/05/03/88/963050388.db2.gz	YSDMYFVLHXELSS-OIISXLGYSA-N	1	0	372.425	1.166	20	30		FDEDRO
C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)CC(F)(F)F	ZINC001110180972	963065069	/nfs/dbraw/zinc/06/50/69/963065069.db2.gz	LQAFDFRINBPULI-RFGFWPKPSA-N	1	0	350.381	1.614	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1nnnn1CCC	ZINC001175367060	963171952	/nfs/dbraw/zinc/17/19/52/963171952.db2.gz	XJJBLDASCUULFD-XHSDSOJGSA-N	1	0	364.494	1.439	20	30		FDEDRO
CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC001175664020	963260002	/nfs/dbraw/zinc/26/00/02/963260002.db2.gz	OITIGHHMIXPSHM-XKGZKEIXSA-N	1	0	370.497	1.889	20	30		FDEDRO
CC[C@H](C)[C@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C(N)=O	ZINC001176097933	963357101	/nfs/dbraw/zinc/35/71/01/963357101.db2.gz	NGYPWKAPWPXQEN-PPHDSNJXSA-N	1	0	351.410	1.713	20	30		FDEDRO
C#C[C@H](NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)[C@H]1CCCO1	ZINC000773563351	963409171	/nfs/dbraw/zinc/40/91/71/963409171.db2.gz	VYYLEZKYVXVEIO-ZWKOTPCHSA-N	1	0	363.502	1.749	20	30		FDEDRO
C[NH+]1CCN(c2ccc(Nc3nc(C#N)c(C#N)nc3Cl)cn2)CC1	ZINC001176654092	963518201	/nfs/dbraw/zinc/51/82/01/963518201.db2.gz	OYFCOHOLUNELBY-UHFFFAOYSA-N	1	0	354.805	1.764	20	30		FDEDRO
CCCC#CC(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1	ZINC001184268929	963519405	/nfs/dbraw/zinc/51/94/05/963519405.db2.gz	YCMUILBSTNCSMM-QGZVFWFLSA-N	1	0	359.474	1.157	20	30		FDEDRO
C=C(CC(=O)OCCCC)C(=O)N1Cc2nccn2C[C@H](C[NH+](C)C)C1	ZINC001184308174	963529687	/nfs/dbraw/zinc/52/96/87/963529687.db2.gz	GERPIYYBTSLXCN-INIZCTEOSA-N	1	0	362.474	1.693	20	30		FDEDRO
C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1CN(c2cccc(C#N)c2)C(=O)O1	ZINC001184376263	963562289	/nfs/dbraw/zinc/56/22/89/963562289.db2.gz	QJHRRXMXOGFNOE-ULQDDVLXSA-N	1	0	356.426	1.872	20	30		FDEDRO
N#Cc1ccc(NC(=O)N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)cc1	ZINC001184725197	963703304	/nfs/dbraw/zinc/70/33/04/963703304.db2.gz	HSGGDVUFXYMSBS-DLBZAZTESA-N	1	0	364.409	1.718	20	30		FDEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)Nc1ccc(C#N)cc1)CC2	ZINC001184725992	963704223	/nfs/dbraw/zinc/70/42/23/963704223.db2.gz	RWBKVMQQBKLFPV-UHFFFAOYSA-N	1	0	355.442	1.767	20	30		FDEDRO
CC(C)(C)OC(=O)N(CCC#N)CC(=O)N1CCCc2ccc(C[NH3+])nc21	ZINC001184860619	963741085	/nfs/dbraw/zinc/74/10/85/963741085.db2.gz	GGPMEGKRHJRJBA-UHFFFAOYSA-N	1	0	373.457	1.970	20	30		FDEDRO
C=CCCc1ccc(C(=O)NC2(C(=O)OCC)CC[NH+](C)CC2)c(=O)[nH]1	ZINC001185362718	963916506	/nfs/dbraw/zinc/91/65/06/963916506.db2.gz	KQYDDARYOAHEME-UHFFFAOYSA-N	1	0	361.442	1.663	20	30		FDEDRO
N#Cc1cc(CC(=O)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)ccn1	ZINC001177666969	963920440	/nfs/dbraw/zinc/92/04/40/963920440.db2.gz	JLEWNJFTIWPUAO-UHFFFAOYSA-N	1	0	364.453	1.373	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N(CC(C)C)C(C)C)C1	ZINC001185759642	964090387	/nfs/dbraw/zinc/09/03/87/964090387.db2.gz	YZGWZKFZXAPPEY-KURKYZTESA-N	1	0	365.518	1.661	20	30		FDEDRO
C#CCC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)nn1	ZINC001185964656	964236160	/nfs/dbraw/zinc/23/61/60/964236160.db2.gz	YUDIFZVELKXCFD-WZGPROSRSA-N	1	0	371.485	1.370	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCCCCCC[NH2+]CC(=O)NCC1CC1	ZINC001178509061	964261346	/nfs/dbraw/zinc/26/13/46/964261346.db2.gz	DUSMTCJIOCWEQY-MSOLQXFVSA-N	1	0	365.518	1.760	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)C(C)(C)C(N)=O)C1	ZINC001186189046	964339191	/nfs/dbraw/zinc/33/91/91/964339191.db2.gz	KLQPMZKRGDZSFM-NVXWUHKLSA-N	1	0	359.445	1.492	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCS(=O)(=O)CCOC	ZINC001110379071	964419690	/nfs/dbraw/zinc/41/96/90/964419690.db2.gz	USFPHDPCUIMVSA-OAGGEKHMSA-N	1	0	358.504	1.125	20	30		FDEDRO
COc1nc(C(=NC(=O)[C@H]2CCC[N@H+](C)C2)NO)ccc1-n1cnc(C)c1	ZINC001186369548	964451399	/nfs/dbraw/zinc/45/13/99/964451399.db2.gz	BUOVPKMHKGBFSK-ZDUSSCGKSA-N	1	0	372.429	1.178	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCOC)C2(C1)CCOCC2	ZINC001186374544	964483392	/nfs/dbraw/zinc/48/33/92/964483392.db2.gz	ZSZYPRSGRBUTFG-KURKYZTESA-N	1	0	366.502	1.459	20	30		FDEDRO
CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccnn2C)CC12CCOCC2	ZINC001186433030	964508017	/nfs/dbraw/zinc/50/80/17/964508017.db2.gz	GNAFGWCDYCWBLK-RCCFBDPRSA-N	1	0	370.497	1.392	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+](CC)CC)c1)[C@H]1CCCO1	ZINC000773787700	964602990	/nfs/dbraw/zinc/60/29/90/964602990.db2.gz	JEXUHDMVEHISTQ-QZTJIDSGSA-N	1	0	357.454	1.764	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOc1ccc(OC)cc1	ZINC001110385378	964759019	/nfs/dbraw/zinc/75/90/19/964759019.db2.gz	YBZQDEDSIFGDOE-LZQZEXGQSA-N	1	0	360.454	1.998	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2CC)[C@H]1C	ZINC001179188207	964782965	/nfs/dbraw/zinc/78/29/65/964782965.db2.gz	BBRSDJKBGYAYQA-MHORFTMASA-N	1	0	363.502	1.581	20	30		FDEDRO
N#CCSCC(=O)N1CC[C@H]2C[N@H+](CCCCCn3cncn3)C[C@H]21	ZINC001186930455	964843306	/nfs/dbraw/zinc/84/33/06/964843306.db2.gz	KQMLCAYTIBQBMC-JKSUJKDBSA-N	1	0	362.503	1.238	20	30		FDEDRO
CN(C)c1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)CSCC#N)[C@@H]3C2)ccn1	ZINC001186917544	964877725	/nfs/dbraw/zinc/87/77/25/964877725.db2.gz	UHANEDMLTRZPNI-JKSUJKDBSA-N	1	0	359.499	1.437	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2cnc(OC)nc2C)C1	ZINC000962321352	1013530632	/nfs/dbraw/zinc/53/06/32/1013530632.db2.gz	KTNQVXASMNWRQV-BNICSPFPSA-N	1	0	360.458	1.369	20	30		FDEDRO
C[C@H]1[C@@H]([NH2+]CC#Cc2ccc(F)cc2)CCN1C(=O)[C@H]1C[C@H]1C(=O)N(C)C	ZINC001179538868	964908836	/nfs/dbraw/zinc/90/88/36/964908836.db2.gz	JLDNERZHHSMWDM-VLQPXKRTSA-N	1	0	371.456	1.481	20	30		FDEDRO
N#C[C@H]1C[C@H]1C(=O)n1c2ncnc-2c(OCc2ccc(C[NH3+])cc2)nc1N	ZINC001186982855	964922077	/nfs/dbraw/zinc/92/20/77/964922077.db2.gz	XYROIDWSCCQCNM-CHWSQXEVSA-N	1	0	363.381	1.076	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+]C[C@@H]1CCc2ncnn21	ZINC001179633257	964940635	/nfs/dbraw/zinc/94/06/35/964940635.db2.gz	AOOWGKJIWSJIMR-BBWFWOEESA-N	1	0	361.490	1.623	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+]CC(=O)N(C)C(C)C	ZINC001179633902	964941142	/nfs/dbraw/zinc/94/11/42/964941142.db2.gz	KYQMSEHFFKBQIB-SJORKVTESA-N	1	0	353.507	1.711	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)[C@H]1C	ZINC001179685506	964944047	/nfs/dbraw/zinc/94/40/47/964944047.db2.gz	DPIXCOXWWJYKQX-FZDIXFNVSA-N	1	0	371.481	1.680	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCCCCC[NH2+]Cc1nnnn1C	ZINC001179781353	964975519	/nfs/dbraw/zinc/97/55/19/964975519.db2.gz	XQODQQFTLXSACJ-RDJZCZTQSA-N	1	0	364.494	1.348	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2	ZINC001179894109	965019174	/nfs/dbraw/zinc/01/91/74/965019174.db2.gz	DNODKLFKPAUKSU-AWEZNQCLSA-N	1	0	350.426	1.526	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](CCc3cnn(CC)c3)C[C@H]21	ZINC001187226683	965102360	/nfs/dbraw/zinc/10/23/60/965102360.db2.gz	YDMJYIKTYWFGDC-NZSAHSFTSA-N	1	0	360.502	1.959	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)N3CCC(C)CC3)C[C@H]21	ZINC001187281140	965160665	/nfs/dbraw/zinc/16/06/65/965160665.db2.gz	TVLWNEGAAJILCF-OKZBNKHCSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(NC(C)=O)c3)C[C@H]21	ZINC001187295853	965211414	/nfs/dbraw/zinc/21/14/14/965211414.db2.gz	HDBYZZGJLPKZGN-PKOBYXMFSA-N	1	0	357.454	1.880	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@H+](CCCO[C@H]4CCOC4)C[C@H]32)c1	ZINC001187466351	965382001	/nfs/dbraw/zinc/38/20/01/965382001.db2.gz	ZBKYLXZHAZRSKT-XYJFISCASA-N	1	0	358.442	1.228	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)[C@H]2CSCC(=O)N2)[C@H]2CC[C@H]([NH3+])CC2)cc1	ZINC001180556220	965397712	/nfs/dbraw/zinc/39/77/12/965397712.db2.gz	SMCYYLFHACOLCL-BRWVUGGUSA-N	1	0	372.494	1.388	20	30		FDEDRO
C#CCCCCC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21	ZINC001187591305	965509550	/nfs/dbraw/zinc/50/95/50/965509550.db2.gz	JHPUWJVOULOBAF-OKZBNKHCSA-N	1	0	366.527	1.538	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@H+](C/C=C/c3ccccc3)C[C@H]21	ZINC001187598371	965520273	/nfs/dbraw/zinc/52/02/73/965520273.db2.gz	OZKJMCOQTJBRRU-YLXGYYMFSA-N	1	0	351.450	1.372	20	30		FDEDRO
CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1	ZINC001187569535	965534161	/nfs/dbraw/zinc/53/41/61/965534161.db2.gz	QHHKYBJTJGXIOG-GRDNDAEWSA-N	1	0	357.458	1.288	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCCC(F)(F)C3)C[C@H]21	ZINC001187605853	965556445	/nfs/dbraw/zinc/55/64/45/965556445.db2.gz	VSSVGTZQGHBTEU-OWCLPIDISA-N	1	0	367.440	1.484	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CC[C@H]2CN(CC(=O)NCCC(C)(C)C)C[C@H]21	ZINC001187763742	965730818	/nfs/dbraw/zinc/73/08/18/965730818.db2.gz	UFRMXWLCYBCNEN-RZQQEMMASA-N	1	0	365.518	1.399	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)cc1	ZINC001187848916	965787034	/nfs/dbraw/zinc/78/70/34/965787034.db2.gz	FFHAPYUSUGJIFD-QXAKKESOSA-N	1	0	367.449	1.124	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1CC[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]21	ZINC001188033798	965982741	/nfs/dbraw/zinc/98/27/41/965982741.db2.gz	NKVLEMUFBQUUFL-DLBZAZTESA-N	1	0	359.470	1.437	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@H]21	ZINC001188064039	965987279	/nfs/dbraw/zinc/98/72/79/965987279.db2.gz	YBKNZGVGEQNMMV-JKSUJKDBSA-N	1	0	371.547	1.403	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3[nH]nc4c3cccc4OC)[C@@H]2C1	ZINC001188064075	965987544	/nfs/dbraw/zinc/98/75/44/965987544.db2.gz	ZKIOUAXEZCKYEU-GOEBONIOSA-N	1	0	370.453	1.920	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3[nH]nc4c3cccc4OC)[C@@H]2C1	ZINC001188063785	965987801	/nfs/dbraw/zinc/98/78/01/965987801.db2.gz	PZIFUGSYUIYYAZ-GOEBONIOSA-N	1	0	368.437	1.368	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N(CC)CC)C[C@H]21)OCC	ZINC001188096008	966006398	/nfs/dbraw/zinc/00/63/98/966006398.db2.gz	WRVLZAOZRPOHPU-RCCFBDPRSA-N	1	0	365.518	1.759	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCCS3(=O)=O)[C@@H]2C1	ZINC001188137868	966050839	/nfs/dbraw/zinc/05/08/39/966050839.db2.gz	IUIGRTRQWCNUMU-DLBZAZTESA-N	1	0	369.531	1.301	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(NC(C)=O)cn3)[C@@H]2C1	ZINC001188151793	966064512	/nfs/dbraw/zinc/06/45/12/966064512.db2.gz	JYUXWYWJXYZDBC-MAUKXSAKSA-N	1	0	358.442	1.389	20	30		FDEDRO
C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)CC2)CC1	ZINC000957618606	1013625393	/nfs/dbraw/zinc/62/53/93/1013625393.db2.gz	CEYHTTQTJURQER-RTBURBONSA-N	1	0	370.497	1.626	20	30		FDEDRO
CCCCCCCCOCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21	ZINC001188226530	966138304	/nfs/dbraw/zinc/13/83/04/966138304.db2.gz	OWXRRJULQPGUBP-OKZBNKHCSA-N	1	0	365.518	1.785	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C3CC4(C3)CS(=O)(=O)C4)[C@@H]2C1	ZINC001188328877	966204700	/nfs/dbraw/zinc/20/47/00/966204700.db2.gz	BUENBZLRUDBMPH-YQQAZPJKSA-N	1	0	366.527	1.699	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1	ZINC000957622210	1013636550	/nfs/dbraw/zinc/63/65/50/1013636550.db2.gz	DXCNNDUAQZDGQU-GDBMZVCRSA-N	1	0	361.490	1.234	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)o3)[C@@H]2C1	ZINC001188441319	966290086	/nfs/dbraw/zinc/29/00/86/966290086.db2.gz	DNONRIDNMLJVHX-MELADBBJSA-N	1	0	367.471	1.428	20	30		FDEDRO
N#CCc1cccc(C(=O)NCC(=O)N2CC[NH+](C3CCCCC3)CC2)c1	ZINC001188688736	966497109	/nfs/dbraw/zinc/49/71/09/966497109.db2.gz	GEUFWRJWPUSKCH-UHFFFAOYSA-N	1	0	368.481	1.959	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc4c(c3)CCO4)[C@@H]2C1	ZINC001188714811	966530411	/nfs/dbraw/zinc/53/04/11/966530411.db2.gz	HQFGWWFDZIEOGX-RBUKOAKNSA-N	1	0	356.466	1.899	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(CC(=O)N(C)CC4CC4)C[C@H]32)cc1	ZINC001188744368	966552883	/nfs/dbraw/zinc/55/28/83/966552883.db2.gz	NHVDBTNBTPEYBI-VQTJNVASSA-N	1	0	365.477	1.683	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3coc(=O)c4ccccc34)[C@@H]2C1	ZINC001188759582	966562545	/nfs/dbraw/zinc/56/25/45/966562545.db2.gz	CUHZABNYVNPJSN-HNAYVOBHSA-N	1	0	366.417	1.589	20	30		FDEDRO
C=CCCCC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21	ZINC001189006324	966696882	/nfs/dbraw/zinc/69/68/82/966696882.db2.gz	CAFVVMNRAKXNNH-YESZJQIVSA-N	1	0	354.516	1.700	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(-n4cncn4)c3)[C@@H]2C1	ZINC001189077117	966752802	/nfs/dbraw/zinc/75/28/02/966752802.db2.gz	KIYCVNHRHYLRMI-PKOBYXMFSA-N	1	0	367.453	1.616	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]32)c1	ZINC001189077987	966754413	/nfs/dbraw/zinc/75/44/13/966754413.db2.gz	ZDDPPLXHJDOGGP-YSIASYRMSA-N	1	0	371.481	1.243	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)c3cc(C4CC4)n[nH]3)[C@@H]2C1	ZINC001189213304	966862124	/nfs/dbraw/zinc/86/21/24/966862124.db2.gz	ZREYIXKZMGPRGZ-RVSPLBMKSA-N	1	0	357.458	1.124	20	30		FDEDRO
C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cccc4c3OCC4)[C@@H]2C1	ZINC001189213198	966862420	/nfs/dbraw/zinc/86/24/20/966862420.db2.gz	WAOXBDGKCATCGB-DOTOQJQBSA-N	1	0	355.438	1.070	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](OCC)C4CC4)C[C@H]32)nn1	ZINC001189351010	966938164	/nfs/dbraw/zinc/93/81/64/966938164.db2.gz	UCIUZSBKQXKZNH-CGTJXYLNSA-N	1	0	359.474	1.426	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)CC(=O)N(C)C)[C@@H]3C2)cc1C#N	ZINC001189367506	966949627	/nfs/dbraw/zinc/94/96/27/966949627.db2.gz	MJXGQFNGOBGYEB-DOTOQJQBSA-N	1	0	370.453	1.078	20	30		FDEDRO
C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ccc4sccc4c3)[C@@H]2C1	ZINC001189604810	967072632	/nfs/dbraw/zinc/07/26/32/967072632.db2.gz	FNPSNIBJIBVKJF-DLBZAZTESA-N	1	0	367.474	1.797	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)[C@@H]2C1	ZINC001189647018	967129224	/nfs/dbraw/zinc/12/92/24/967129224.db2.gz	YMDJMHYXKXDVIL-SOUVJXGZSA-N	1	0	362.474	1.204	20	30		FDEDRO
C[C@H](C#N)OCCN1CC[N@H+](CCO[C@H](C)C#N)Cc2cc(O)ccc21	ZINC000852253368	967154497	/nfs/dbraw/zinc/15/44/97/967154497.db2.gz	SFNTVXIWYPNDNV-HZPDHXFCSA-N	1	0	358.442	1.872	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852357448	967248924	/nfs/dbraw/zinc/24/89/24/967248924.db2.gz	BQNHKWLPRGCUMT-UHFFFAOYSA-N	1	0	354.495	1.886	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C(=O)NC)nc3)[C@@H]2C1	ZINC001189819975	967280008	/nfs/dbraw/zinc/28/00/08/967280008.db2.gz	INUZCOJFDRVSBX-UWWQBHOKSA-N	1	0	356.470	1.942	20	30		FDEDRO
C#C[C@@H](NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCCO1	ZINC000775327688	967308595	/nfs/dbraw/zinc/30/85/95/967308595.db2.gz	JCQGFUSKKRXTCS-WOJBJXKFSA-N	1	0	355.482	1.886	20	30		FDEDRO
N#CCCNC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1	ZINC000852475030	967359324	/nfs/dbraw/zinc/35/93/24/967359324.db2.gz	XTDREWGSWBKYKE-KBPBESRZSA-N	1	0	374.407	1.672	20	30		FDEDRO
C[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C[C@@H]1COCCO1	ZINC000852495793	967373854	/nfs/dbraw/zinc/37/38/54/967373854.db2.gz	MWXGFUFNGSKQGK-HUUCEWRRSA-N	1	0	352.394	1.571	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc4c(c3)CCC4)[C@@H]2C1	ZINC001190116334	967573817	/nfs/dbraw/zinc/57/38/17/967573817.db2.gz	PBESKQSIKIQMCL-LEWJYISDSA-N	1	0	352.478	1.900	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@H]([NH3+])C2)cc1	ZINC000852817404	967629866	/nfs/dbraw/zinc/62/98/66/967629866.db2.gz	BWPKBWHSMXLDAA-IOSNZPHXSA-N	1	0	350.444	1.175	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NC[C@@H](O)COc1cccc(Cl)c1Cl	ZINC000852823733	967635112	/nfs/dbraw/zinc/63/51/12/967635112.db2.gz	JXEADWNEAFBIHL-CYBMUJFWSA-N	1	0	371.264	1.852	20	30		FDEDRO
N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(-c2ccc(Br)cc2)no1	ZINC000852827328	967638398	/nfs/dbraw/zinc/63/83/98/967638398.db2.gz	GMTNRKGCZFBYLN-MFKMUULPSA-N	1	0	361.199	1.945	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCc2nc(C)no2)C1	ZINC001190229357	967642812	/nfs/dbraw/zinc/64/28/12/967642812.db2.gz	CMLOBJZINFLEEC-ZACQAIPSSA-N	1	0	362.474	1.825	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N[C@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852849040	967655436	/nfs/dbraw/zinc/65/54/36/967655436.db2.gz	BRVFUNNKUROWBZ-IBGZPJMESA-N	1	0	353.466	1.339	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852918496	967708090	/nfs/dbraw/zinc/70/80/90/967708090.db2.gz	DGZOKKDZAWFECG-RTBURBONSA-N	1	0	353.466	1.847	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CC(C)(c3nnc(-c4cccnc4)o3)C2)CCC[NH2+]1	ZINC000852938823	967720800	/nfs/dbraw/zinc/72/08/00/967720800.db2.gz	KZWFKXJTWKAWIZ-LJQANCHMSA-N	1	0	353.426	1.930	20	30		FDEDRO
C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CCN(C(=O)CC#Cc3ccccc3)[C@@H]2C1	ZINC001190291085	967740649	/nfs/dbraw/zinc/74/06/49/967740649.db2.gz	RYWBXOQCQFHTLJ-XKGZKEIXSA-N	1	0	365.477	1.628	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(C)nn(C)c4n3)[C@@H]2C1	ZINC001190350849	967770586	/nfs/dbraw/zinc/77/05/86/967770586.db2.gz	LNISLHYORJWOCF-MAUKXSAKSA-N	1	0	369.469	1.626	20	30		FDEDRO
COc1ccc(C#N)cc1CN1C[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1	ZINC001190350415	967771304	/nfs/dbraw/zinc/77/13/04/967771304.db2.gz	DCOREJWNJFXREA-PKOBYXMFSA-N	1	0	370.497	1.940	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c(C)noc3Cl)[C@@H]2C1	ZINC001190430458	967841988	/nfs/dbraw/zinc/84/19/88/967841988.db2.gz	JQLNHMBXVKMGQA-GOEBONIOSA-N	1	0	365.861	1.752	20	30		FDEDRO
C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)C3CC(c4ccccc4)C3)[C@@H]2C1	ZINC001190466697	967891498	/nfs/dbraw/zinc/89/14/98/967891498.db2.gz	CKTVFLURCUVHPT-DCCYDQLOSA-N	1	0	365.477	1.462	20	30		FDEDRO
N#Cc1cccnc1NCCNC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1	ZINC000853481949	968043472	/nfs/dbraw/zinc/04/34/72/968043472.db2.gz	NPHDURRAIZLWCU-MRXNPFEDSA-N	1	0	356.474	1.786	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccc(C(=O)Nc3cn(C)nc3C#N)cc2)CC1	ZINC001190840058	968117853	/nfs/dbraw/zinc/11/78/53/968117853.db2.gz	NHOHZVTUKFPFRU-UHFFFAOYSA-N	1	0	352.442	1.682	20	30		FDEDRO
C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(C#CC(C)(C)O)cc1	ZINC001191167218	968309906	/nfs/dbraw/zinc/30/99/06/968309906.db2.gz	HYSWJMVOWOVGNA-VQTJNVASSA-N	1	0	369.509	1.659	20	30		FDEDRO
COc1ccc(CNC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1C#N	ZINC000853882597	968396685	/nfs/dbraw/zinc/39/66/85/968396685.db2.gz	MRQSISVYMNMJMF-GOSISDBHSA-N	1	0	372.469	1.963	20	30		FDEDRO
C[C@H](CCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)[NH+](C)C	ZINC000853990527	968505111	/nfs/dbraw/zinc/50/51/11/968505111.db2.gz	PHTBVURBLHKHRL-MCIONIFRSA-N	1	0	353.467	1.385	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)c2ncc[nH]c2=O)[C@H]2CC[C@H]([NH3+])CC2)cc1	ZINC001191516843	968563332	/nfs/dbraw/zinc/56/33/32/968563332.db2.gz	IMGQRBUJNYLDGN-WKILWMFISA-N	1	0	351.410	1.554	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2N(C)C)C[C@H]1O	ZINC001191597853	968647803	/nfs/dbraw/zinc/64/78/03/968647803.db2.gz	FKUVQNRPTAYDIQ-SZVBFZGTSA-N	1	0	361.486	1.395	20	30		FDEDRO
C#C[C@@H](NC(=O)Nc1ccccc1C(=O)N1CCN(C)CC1)[C@H]1CCCO1	ZINC000775474482	968721243	/nfs/dbraw/zinc/72/12/43/968721243.db2.gz	PBVFRAXLHGAXHQ-SJLPKXTDSA-N	1	0	370.453	1.377	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@H]1O	ZINC001192053774	968930725	/nfs/dbraw/zinc/93/07/25/968930725.db2.gz	FFNDVFNCDWNFJY-RTBURBONSA-N	1	0	362.470	1.347	20	30		FDEDRO
COc1cc(C#N)ccc1C(=O)N(c1ccc(C[NH3+])cc1)S(C)(=O)=O	ZINC001192268164	969032432	/nfs/dbraw/zinc/03/24/32/969032432.db2.gz	DEMHDCJNEAQULG-UHFFFAOYSA-N	1	0	359.407	1.632	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@H]([NH+](C)C)C2)cn1	ZINC000854632013	969035939	/nfs/dbraw/zinc/03/59/39/969035939.db2.gz	ALEFABLFIPXWCJ-ROUUACIJSA-N	1	0	356.470	1.370	20	30		FDEDRO
C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1	ZINC001192332315	969068750	/nfs/dbraw/zinc/06/87/50/969068750.db2.gz	GEOMYBDPEUSSLT-KURKYZTESA-N	1	0	363.502	1.655	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCCc2ccccc2Cl)C[C@H]1O	ZINC001192530960	969175249	/nfs/dbraw/zinc/17/52/49/969175249.db2.gz	RFKAKIZQNKYBCJ-LMMKCTJWSA-N	1	0	366.889	1.761	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCCCC2CCOCC2)C[C@H]1O	ZINC001192531648	969176983	/nfs/dbraw/zinc/17/69/83/969176983.db2.gz	ZCQHZAISTWJRSP-ZHALLVOQSA-N	1	0	354.491	1.072	20	30		FDEDRO
C=CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(N2C(=O)C=CC2=O)cc1	ZINC001192625027	969211759	/nfs/dbraw/zinc/21/17/59/969211759.db2.gz	DSARBBCRVCHWFH-INIZCTEOSA-N	1	0	354.410	1.888	20	30		FDEDRO
COc1cccc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C2)c1	ZINC001192814166	969313963	/nfs/dbraw/zinc/31/39/63/969313963.db2.gz	XSQMYSNSOLVBSP-RTBURBONSA-N	1	0	358.482	1.839	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1C[N@@H+](CCCOCCc2ccccc2)C[C@H]1O	ZINC001192862855	969346169	/nfs/dbraw/zinc/34/61/69/969346169.db2.gz	WXRSAXKYLZFDBH-WOJBJXKFSA-N	1	0	356.466	1.211	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2cc3ccccc3s2)C[C@H]1O	ZINC001192886704	969349489	/nfs/dbraw/zinc/34/94/89/969349489.db2.gz	WUEYJQJXSPZALB-IAGOWNOFSA-N	1	0	358.463	1.603	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@H+](CCOCC(C)C)C[C@H]1O	ZINC001192925167	969383756	/nfs/dbraw/zinc/38/37/56/969383756.db2.gz	WCVPAKCMQCNEQL-QZTJIDSGSA-N	1	0	356.507	1.583	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2csc([C@@H]3CCCO3)n2)C1	ZINC001192990215	969396248	/nfs/dbraw/zinc/39/62/48/969396248.db2.gz	VVINUBUPUYPDKC-YUELXQCFSA-N	1	0	351.472	1.736	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)Cc2cccc(F)c2)C1	ZINC001192977406	969414367	/nfs/dbraw/zinc/41/43/67/969414367.db2.gz	DZYDBFKKWYPPCN-ATZDWAIDSA-N	1	0	364.461	1.758	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1CN([C@H](C)C(=O)N2CCCCC2)C[C@H]1O	ZINC001193240950	969569209	/nfs/dbraw/zinc/56/92/09/969569209.db2.gz	NIMXYEQNBVLRCB-KBAYOESNSA-N	1	0	363.502	1.317	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1CN(CC(=O)N(C)[C@H](C)CC(C)C)C[C@H]1O	ZINC001193345604	969647105	/nfs/dbraw/zinc/64/71/05/969647105.db2.gz	RRBYMSMGLVEESW-BRWVUGGUSA-N	1	0	367.534	1.643	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1O	ZINC001193313010	969654061	/nfs/dbraw/zinc/65/40/61/969654061.db2.gz	WGUSFZLCWICEPV-HUUCEWRRSA-N	1	0	369.897	1.388	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncc(OC)cc2F)C1	ZINC001193584806	969749309	/nfs/dbraw/zinc/74/93/09/969749309.db2.gz	JECOKWIFMRSHPV-HZPDHXFCSA-N	1	0	351.422	1.751	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncccc2NC(C)=O)C1	ZINC001193595345	969755672	/nfs/dbraw/zinc/75/56/72/969755672.db2.gz	SRWUEUGHXGSWAP-IAGOWNOFSA-N	1	0	362.474	1.785	20	30		FDEDRO
COc1ccc(C#N)c(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)C)C[C@@H]2C)c1	ZINC001193716445	969838680	/nfs/dbraw/zinc/83/86/80/969838680.db2.gz	ONEZZJXLCNJCKK-BBRMVZONSA-N	1	0	351.472	1.964	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)OCC(=O)N3)C1	ZINC001193781456	969847253	/nfs/dbraw/zinc/84/72/53/969847253.db2.gz	MGQOOKAXRXDMAS-DAXOMENPSA-N	1	0	359.426	1.147	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1	ZINC001193866675	969900565	/nfs/dbraw/zinc/90/05/65/969900565.db2.gz	OADOYLVSVCEWNH-QBPKDAKJSA-N	1	0	362.474	1.015	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1O	ZINC001193902432	969914761	/nfs/dbraw/zinc/91/47/61/969914761.db2.gz	RSNXCDPXQGYLQK-KBRIMQKVSA-N	1	0	362.499	1.155	20	30		FDEDRO
CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)C1	ZINC000776752976	969929180	/nfs/dbraw/zinc/92/91/80/969929180.db2.gz	PZXVDKRQHYMHCW-RRQGHBQHSA-N	1	0	358.442	1.931	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2CC(F)(F)F)C1	ZINC001193960969	969936934	/nfs/dbraw/zinc/93/69/34/969936934.db2.gz	KKLXXKDHISJHEX-OUCADQQQSA-N	1	0	360.380	1.575	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)c1cncc(N2CC[NH+](C)CC2)c1	ZINC001193944651	969949715	/nfs/dbraw/zinc/94/97/15/969949715.db2.gz	DOGDUPOAMGPWOS-UHFFFAOYSA-N	1	0	351.410	1.966	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2-c2ccncc2)C1	ZINC001194063711	969982764	/nfs/dbraw/zinc/98/27/64/969982764.db2.gz	QWXGXHIWOHTNTM-WOJBJXKFSA-N	1	0	367.449	1.726	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nc(OC)cc(OC)n2)C1	ZINC001194126548	970003480	/nfs/dbraw/zinc/00/34/80/970003480.db2.gz	COKAZZFOELMYSW-ZIAGYGMSSA-N	1	0	364.446	1.015	20	30		FDEDRO
N#Cc1cncc(C(=O)N(Cc2cnc3n2CC[NH2+]CC3)c2ccccn2)c1	ZINC001194105026	970019881	/nfs/dbraw/zinc/01/98/81/970019881.db2.gz	NDKWYAGVQKYROO-UHFFFAOYSA-N	1	0	373.420	1.537	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)nc3ccnn3c2C)C1	ZINC001194283911	970108524	/nfs/dbraw/zinc/10/85/24/970108524.db2.gz	VDQNSKDQVZXWFF-IAGOWNOFSA-N	1	0	371.485	1.867	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(cc[nH]c3=O)n2)C1	ZINC001194283211	970108636	/nfs/dbraw/zinc/10/86/36/970108636.db2.gz	PUWITCQVLLVZBW-CSMYWGQOSA-N	1	0	356.426	1.465	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cccc(C)c2Cl)C1	ZINC001194638047	970281651	/nfs/dbraw/zinc/28/16/51/970281651.db2.gz	FGLYPOVBURDPHU-HZPDHXFCSA-N	1	0	352.862	1.555	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc3c2C(=O)NCCC3)C1	ZINC001194865747	970483678	/nfs/dbraw/zinc/48/36/78/970483678.db2.gz	RBJHXMWJXFBBJT-NWANDNLSSA-N	1	0	361.442	1.085	20	30		FDEDRO
COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(C3CC3)oc2C2CC2)C1	ZINC001194872793	970488843	/nfs/dbraw/zinc/48/88/43/970488843.db2.gz	PIUZHMCKYYZQLB-IAGOWNOFSA-N	1	0	358.438	1.459	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(OC)c1C	ZINC001110465508	970660161	/nfs/dbraw/zinc/66/01/61/970660161.db2.gz	GQDQSNNJSXSPAO-KURKYZTESA-N	1	0	369.465	1.365	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCc2c1cccc2F	ZINC001110465518	970660282	/nfs/dbraw/zinc/66/02/82/970660282.db2.gz	HHCYRJOVRGFEIT-BPQTVZERSA-N	1	0	369.440	1.674	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCCC(F)(F)C1	ZINC001110465738	970662005	/nfs/dbraw/zinc/66/20/05/970662005.db2.gz	QZKZFSKUZRNVTF-JJXSEGSLSA-N	1	0	367.440	1.673	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC/C=C\c1ccccc1	ZINC001110465814	970667716	/nfs/dbraw/zinc/66/77/16/970667716.db2.gz	UYIWAYVEOJXOAB-AGZFEKENSA-N	1	0	365.477	1.951	20	30		FDEDRO
C[NH+](C)[C@@H]1C[C@H](NS(=O)(=O)Cc2cc(C#N)ccc2F)C12CCC2	ZINC001195096388	970683320	/nfs/dbraw/zinc/68/33/20/970683320.db2.gz	AQPXPUXUOZNKSA-JKSUJKDBSA-N	1	0	351.447	1.990	20	30		FDEDRO
CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#Cc1cccc(Cl)c1	ZINC001110465995	970714240	/nfs/dbraw/zinc/71/42/40/970714240.db2.gz	DFKOEBCBCWRQSY-KURKYZTESA-N	1	0	373.884	1.939	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(c3cccc(F)c3)CCC2)C1	ZINC001195163367	970743797	/nfs/dbraw/zinc/74/37/97/970743797.db2.gz	RCWPNFOUWLDMDA-QZTJIDSGSA-N	1	0	362.445	1.611	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCCc3ccccc3)C[C@H]2O)cn1	ZINC001197926808	972555811	/nfs/dbraw/zinc/55/58/11/972555811.db2.gz	YFTPMGJKTAOTSE-NHCUHLMSSA-N	1	0	363.461	1.861	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C(=O)NC)n2)C1	ZINC001198239380	972926582	/nfs/dbraw/zinc/92/65/82/972926582.db2.gz	JVQDNKDUUZOFJC-IAGOWNOFSA-N	1	0	362.474	1.187	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1	ZINC000645111663	1014072107	/nfs/dbraw/zinc/07/21/07/1014072107.db2.gz	DLZLHAILKGWUBP-HKUYNNGSSA-N	1	0	359.470	1.906	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCOCC1	ZINC000863564436	973018994	/nfs/dbraw/zinc/01/89/94/973018994.db2.gz	XBTJAVROMWMDBU-FQEVSTJZSA-N	1	0	373.497	1.809	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cccc(F)c2)C1	ZINC001198359779	973057730	/nfs/dbraw/zinc/05/77/30/973057730.db2.gz	YJYMYDUYACSAAS-IAOVAPTHSA-N	1	0	363.433	1.072	20	30		FDEDRO
Cc1cc(OS(=O)(=O)CCCN2CC[NH+](C)CC2)c(C)c(C)c1C#N	ZINC000867266319	973101522	/nfs/dbraw/zinc/10/15/22/973101522.db2.gz	QIBCTYADYXTEOQ-UHFFFAOYSA-N	1	0	365.499	1.830	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)C1CCCC1	ZINC000863765995	973194647	/nfs/dbraw/zinc/19/46/47/973194647.db2.gz	YDUOGVOHKBYTKE-TZMCWYRMSA-N	1	0	359.392	1.377	20	30		FDEDRO
C=CCCN(OCc1ccccc1)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1	ZINC000863767062	973195616	/nfs/dbraw/zinc/19/56/16/973195616.db2.gz	IOVJRDJVFZVVQJ-OYRHEFFESA-N	1	0	371.481	1.981	20	30		FDEDRO
C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(NCC2CCOCC2)ccn1	ZINC001198544262	973272296	/nfs/dbraw/zinc/27/22/96/973272296.db2.gz	BCVABVVWYOABIO-SFHVURJKSA-N	1	0	358.486	1.722	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCc2nc(C(C)C)no2)C1	ZINC001198645872	973349447	/nfs/dbraw/zinc/34/94/47/973349447.db2.gz	VEDLAFPQTYCBQM-HUUCEWRRSA-N	1	0	350.463	1.643	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCc2nc(CCC)no2)C1	ZINC001198654732	973358643	/nfs/dbraw/zinc/35/86/43/973358643.db2.gz	TUWQOYCAKJJZSN-ARFHVFGLSA-N	1	0	364.490	1.861	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](CO)[C@@H](CCO)C2)c1C	ZINC001198754092	973483903	/nfs/dbraw/zinc/48/39/03/973483903.db2.gz	TXOQMGPVJOKBFP-ZWKOTPCHSA-N	1	0	359.470	1.473	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)N2CCCC2=O)C1	ZINC001198833386	973528126	/nfs/dbraw/zinc/52/81/26/973528126.db2.gz	DEXZSHDBXJODGV-IXDOHACOSA-N	1	0	351.491	1.295	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCCC#N)CC1	ZINC001198891455	973665984	/nfs/dbraw/zinc/66/59/84/973665984.db2.gz	PMOZCUHIERYDST-HNNXBMFYSA-N	1	0	350.463	1.834	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3ccnc(C)c3)C[C@H]2C)CC1	ZINC000958072177	1014132093	/nfs/dbraw/zinc/13/20/93/1014132093.db2.gz	VFWMHYLPELRREO-DNVCBOLYSA-N	1	0	368.481	1.312	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC(=O)N(CC)CC)C1	ZINC001198933594	973704526	/nfs/dbraw/zinc/70/45/26/973704526.db2.gz	AIRLYCWHMBXOLT-IAGOWNOFSA-N	1	0	353.507	1.543	20	30		FDEDRO
C=C[C@H](C(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1O)c1ccccc1	ZINC001198956331	973741664	/nfs/dbraw/zinc/74/16/64/973741664.db2.gz	URPKEACMIMTMNJ-IPMKNSEASA-N	1	0	371.481	1.130	20	30		FDEDRO
Cc1cc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC#Cc3ccccc3)C2)n1	ZINC001198945198	973786783	/nfs/dbraw/zinc/78/67/83/973786783.db2.gz	VOLWAWMSCCRNSU-WOJBJXKFSA-N	1	0	366.465	1.103	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)C2CCCCC2)C1	ZINC001198991100	973815541	/nfs/dbraw/zinc/81/55/41/973815541.db2.gz	WZHZCAFAAQSBSS-USXIJHARSA-N	1	0	351.491	1.199	20	30		FDEDRO
C#CCOC[C@@H](O)C[N@@H+](CCC)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC001251857511	973848698	/nfs/dbraw/zinc/84/86/98/973848698.db2.gz	DUVCYPDHNISUMO-IRXDYDNUSA-N	1	0	354.491	1.966	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN(C)C(=O)c2cnn(CC[NH+](C)C)c2)c1	ZINC000864936010	973958661	/nfs/dbraw/zinc/95/86/61/973958661.db2.gz	GISGIABVJLJIDF-UHFFFAOYSA-N	1	0	353.426	1.137	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2-n2ccnn2)C1	ZINC001199489281	974296199	/nfs/dbraw/zinc/29/61/99/974296199.db2.gz	HNLSSBMQFONJTI-IEBWSBKVSA-N	1	0	369.469	1.789	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]C[C@@H]1CCC[C@H]1NS(C)(=O)=O	ZINC000865489578	974324286	/nfs/dbraw/zinc/32/42/86/974324286.db2.gz	FAUFRQBVPFQMOG-GOEBONIOSA-N	1	0	350.488	1.432	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]CCNS(=O)(=O)c1cccnc1	ZINC000865505395	974330168	/nfs/dbraw/zinc/33/01/68/974330168.db2.gz	GONWVZZRJFWPGG-UHFFFAOYSA-N	1	0	359.455	1.087	20	30		FDEDRO
Cn1ncc2cc(C[NH2+][C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cnc21	ZINC000865541077	974349448	/nfs/dbraw/zinc/34/94/48/974349448.db2.gz	HHDYUEFRVHTICW-GOSISDBHSA-N	1	0	360.421	1.731	20	30		FDEDRO
C=CCOc1c(Br)cc(C[NH2+]C[C@H](O)[C@H](C)O)cc1OC	ZINC000865740702	974452609	/nfs/dbraw/zinc/45/26/09/974452609.db2.gz	HYKPWBJLRKOHQH-GWCFXTLKSA-N	1	0	360.248	1.854	20	30		FDEDRO
N#CC1(NC(=O)c2cc(CCO)ccn2)CC[NH+](Cc2ccccc2)CC1	ZINC001199764447	974492917	/nfs/dbraw/zinc/49/29/17/974492917.db2.gz	RRXTZPUZKGMPES-UHFFFAOYSA-N	1	0	364.449	1.905	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@@H]1c2ccccc2CN1C	ZINC000867333881	974626777	/nfs/dbraw/zinc/62/67/77/974626777.db2.gz	ICUVIQGDUDRWAM-LJQANCHMSA-N	1	0	362.433	1.820	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCO)cc1	ZINC001110553214	974784673	/nfs/dbraw/zinc/78/46/73/974784673.db2.gz	CFTYZFHWTFHFSJ-RLLQIKCJSA-N	1	0	372.465	1.433	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1	ZINC000867358199	974790638	/nfs/dbraw/zinc/79/06/38/974790638.db2.gz	WVQPQHPCUBYJCS-OALUTQOASA-N	1	0	368.481	1.849	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2CC(C)(C)C)CCCO1	ZINC001200547041	974816180	/nfs/dbraw/zinc/81/61/80/974816180.db2.gz	LAFSLAHEQVDIOB-GVDBMIGSSA-N	1	0	365.518	1.568	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC([NH2+]CC#Cc3ccccc3)CC2)C1	ZINC001200620249	974840341	/nfs/dbraw/zinc/84/03/41/974840341.db2.gz	ZSZRTCHXNXTXCC-VQIMIIECSA-N	1	0	353.466	1.533	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCCO[C@H]2C(C)C)CC1	ZINC001200627818	974847626	/nfs/dbraw/zinc/84/76/26/974847626.db2.gz	HEOXXSIUUIKOLZ-WMZOPIPTSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)N[C@@H](C)CCC)CC1	ZINC001200637419	974852502	/nfs/dbraw/zinc/85/25/02/974852502.db2.gz	UFJMZTVZAFKSLU-JQHSSLGASA-N	1	0	365.518	1.853	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]CCNC(=O)NC(C)C)CC1	ZINC001200636719	974852669	/nfs/dbraw/zinc/85/26/69/974852669.db2.gz	MANKNDHSEHBVAB-SJORKVTESA-N	1	0	366.506	1.256	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)C(=O)NC(C)(C)C)CC1	ZINC001200637485	974853181	/nfs/dbraw/zinc/85/31/81/974853181.db2.gz	UWKPBPVECCNLQW-UAGQMJEPSA-N	1	0	365.518	1.851	20	30		FDEDRO
CCCCCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CCCO1	ZINC001200786218	974905552	/nfs/dbraw/zinc/90/55/52/974905552.db2.gz	CYQZGDPUBMICMQ-CEXWTWQISA-N	1	0	369.550	1.883	20	30		FDEDRO
CC[NH+](CC)C[C@@H]1CN(S(=O)(=O)c2ccc(C)c(C#N)c2)CCO1	ZINC001201315979	975005874	/nfs/dbraw/zinc/00/58/74/975005874.db2.gz	SZZVRRGEJHGIHB-MRXNPFEDSA-N	1	0	351.472	1.598	20	30		FDEDRO
C#C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@H]1CCCO1	ZINC000776230408	975220295	/nfs/dbraw/zinc/22/02/95/975220295.db2.gz	LAHRBXQBMZVXOU-RTBURBONSA-N	1	0	354.454	1.812	20	30		FDEDRO
C#C[C@H]1CCCN(C(=O)NCc2ccc(N3CC[NH+](CC)CC3)nc2)C1	ZINC000847283171	975417940	/nfs/dbraw/zinc/41/79/40/975417940.db2.gz	NCZPXJLZZOMFIL-KRWDZBQOSA-N	1	0	355.486	1.778	20	30		FDEDRO
CCC(C)(C)[NH+]1CCN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CC1	ZINC000847315048	975461854	/nfs/dbraw/zinc/46/18/54/975461854.db2.gz	WIZXVKYCGBBASS-FOCLMDBBSA-N	1	0	363.462	1.029	20	30		FDEDRO
CCC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1	ZINC001110588426	975646407	/nfs/dbraw/zinc/64/64/07/975646407.db2.gz	JBMHAZHLIMPTOA-LIRZEXBASA-N	1	0	354.454	1.694	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1	ZINC000866668602	975890894	/nfs/dbraw/zinc/89/08/94/975890894.db2.gz	SPAOQYBFBFNDJY-OALUTQOASA-N	1	0	357.454	1.863	20	30		FDEDRO
C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C1	ZINC000847738139	976013363	/nfs/dbraw/zinc/01/33/63/976013363.db2.gz	HAWQXSULRAOPOD-KBXCAEBGSA-N	1	0	368.478	1.146	20	30		FDEDRO
N#CCc1ccccc1S(=O)(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000866791684	976053945	/nfs/dbraw/zinc/05/39/45/976053945.db2.gz	HYEXOCINNHZDCT-QGZVFWFLSA-N	1	0	363.483	1.674	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C(F)(F)F)n(C)n1)C2	ZINC001110593160	976064134	/nfs/dbraw/zinc/06/41/34/976064134.db2.gz	LHFDVZNTOXRZFB-BZPMIXESSA-N	1	0	370.375	1.424	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1	ZINC000866816152	976094213	/nfs/dbraw/zinc/09/42/13/976094213.db2.gz	XDZDYKPTKBINIX-QGZVFWFLSA-N	1	0	351.472	1.952	20	30		FDEDRO
C[C@H](CNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)C[NH+](C)C	ZINC000848119600	976342641	/nfs/dbraw/zinc/34/26/41/976342641.db2.gz	QFDHMPWSZGKACL-OAHLLOKOSA-N	1	0	351.491	1.951	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)Cc1cccc(C#N)c1	ZINC000867581117	976419323	/nfs/dbraw/zinc/41/93/23/976419323.db2.gz	IPGNJGGDXWZTMM-UHFFFAOYSA-N	1	0	365.499	1.678	20	30		FDEDRO
C=CCn1c(=O)c2ccc(C(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)cc2[n-]c1=S	ZINC000848293378	976576549	/nfs/dbraw/zinc/57/65/49/976576549.db2.gz	JISQRSQSIINURZ-XBXGTLAGSA-N	1	0	372.494	1.941	20	30		FDEDRO
N#Cc1cc(NC(=O)N[C@H](C[NH3+])C(F)(F)F)ccc1N1CCC(O)CC1	ZINC000848594229	976932006	/nfs/dbraw/zinc/93/20/06/976932006.db2.gz	AAHKBNBTOUQVQO-CQSZACIVSA-N	1	0	371.363	1.530	20	30		FDEDRO
COC(=O)Cc1ccccc1C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1	ZINC000848679516	976996359	/nfs/dbraw/zinc/99/63/59/976996359.db2.gz	WBGDFTPRXHTLIN-UHFFFAOYSA-N	1	0	372.446	1.837	20	30		FDEDRO
C[C@@](C#N)(NC(=O)COC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1	ZINC000848775751	977084621	/nfs/dbraw/zinc/08/46/21/977084621.db2.gz	VHRHAMLVXPRBDL-JXFKEZNVSA-N	1	0	355.438	1.860	20	30		FDEDRO
COC(=O)c1ccc(CCNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)cc1	ZINC000867951288	977130930	/nfs/dbraw/zinc/13/09/30/977130930.db2.gz	GKHUIEURSNPJNN-IBGZPJMESA-N	1	0	363.417	1.891	20	30		FDEDRO
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000867953509	977135901	/nfs/dbraw/zinc/13/59/01/977135901.db2.gz	YKKAOZVHVIBDKC-OALUTQOASA-N	1	0	363.417	1.646	20	30		FDEDRO
Cn1cc(N2CCC[C@H](NC(=O)[C@@H]3[NH2+]CCc4cc(C#N)ccc43)C2)cn1	ZINC000867963227	977148147	/nfs/dbraw/zinc/14/81/47/977148147.db2.gz	UUPDAZRNXUPNOC-QFBILLFUSA-N	1	0	364.453	1.264	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC(Cn2cnnc2)CC1	ZINC000867982319	977165841	/nfs/dbraw/zinc/16/58/41/977165841.db2.gz	OYMPQFZWTZKYCP-GOSISDBHSA-N	1	0	350.426	1.275	20	30		FDEDRO
Cn1c(=O)ccc2c1CCC[C@@H]2NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000867983065	977167451	/nfs/dbraw/zinc/16/74/51/977167451.db2.gz	JBKSNLSLYSZSSB-PXNSSMCTSA-N	1	0	362.433	1.638	20	30		FDEDRO
Cc1ccc(CN2CCO[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C2)cc1	ZINC000867997960	977181472	/nfs/dbraw/zinc/18/14/72/977181472.db2.gz	MYPKDYWBWBOFLY-RTBURBONSA-N	1	0	358.486	1.723	20	30		FDEDRO
C[NH+]=C(NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)NC1CC1	ZINC000848994396	977286898	/nfs/dbraw/zinc/28/68/98/977286898.db2.gz	QSZJRINBIBMEKX-UHFFFAOYSA-N	1	0	368.478	1.696	20	30		FDEDRO
C[NH+]=C(NCc1ccco1)NCc1cccc(S(=O)(=O)NC(C)C)c1	ZINC000849037643	977292586	/nfs/dbraw/zinc/29/25/86/977292586.db2.gz	UMLUTUBHBZZGPG-UHFFFAOYSA-N	1	0	364.471	1.832	20	30		FDEDRO
C[NH+]=C(NCCc1ccc(OC(F)F)cc1)NCCN1CCOCC1	ZINC000849056681	977297029	/nfs/dbraw/zinc/29/70/29/977297029.db2.gz	AZYGIUBXDJBPPY-UHFFFAOYSA-N	1	0	356.417	1.328	20	30		FDEDRO
C[NH+]=C(NCCc1ccccc1Br)NCCN1CCOCC1	ZINC000849066358	977300960	/nfs/dbraw/zinc/30/09/60/977300960.db2.gz	CISFDSOIKQONBV-UHFFFAOYSA-N	1	0	369.307	1.489	20	30		FDEDRO
CCOCCCNC(=[NH2+])NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000849072753	977302547	/nfs/dbraw/zinc/30/25/47/977302547.db2.gz	DGCMVZCEZWDJLB-UHFFFAOYSA-N	1	0	369.473	1.799	20	30		FDEDRO
CC(C)(C)NC(=O)CCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000849087292	977308162	/nfs/dbraw/zinc/30/81/62/977308162.db2.gz	VIFPYVFSRSTZTA-CYBMUJFWSA-N	1	0	367.494	1.172	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCCCn3ccnc3)=[NH+]C[C@H]2C1	ZINC000849087237	977308186	/nfs/dbraw/zinc/30/81/86/977308186.db2.gz	PFSMWYCZTMWAOC-HNNXBMFYSA-N	1	0	362.478	1.544	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1	ZINC000868169545	977332129	/nfs/dbraw/zinc/33/21/29/977332129.db2.gz	ZEDUNSYBJPKSTA-CYBMUJFWSA-N	1	0	359.327	1.419	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)C1	ZINC000868286723	977447651	/nfs/dbraw/zinc/44/76/51/977447651.db2.gz	RZHNWYKJTDLUKL-KRWDZBQOSA-N	1	0	357.458	1.111	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@@H](NC(=O)C(=O)Nc1cccc3c1CC[NH2+]C3)C2	ZINC000868316069	977492652	/nfs/dbraw/zinc/49/26/52/977492652.db2.gz	DWVXIOJOBSMUPD-KRWDZBQOSA-N	1	0	360.417	1.426	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(c2ccc(C#N)cc2)CC1	ZINC000868372051	977554765	/nfs/dbraw/zinc/55/47/65/977554765.db2.gz	LMSVNTDCGHZZBE-QGZVFWFLSA-N	1	0	370.501	1.026	20	30		FDEDRO
Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cccc(OCC#N)c2)cn1	ZINC000849500633	977694715	/nfs/dbraw/zinc/69/47/15/977694715.db2.gz	IEFVPSHMEAVIPZ-MSOLQXFVSA-N	1	0	353.426	1.996	20	30		FDEDRO
C#CCN1CCN(C(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)CC1	ZINC000849540684	977724744	/nfs/dbraw/zinc/72/47/44/977724744.db2.gz	HOXXTTDDWODGKJ-RTBURBONSA-N	1	0	357.502	1.011	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2	ZINC000868582117	977790613	/nfs/dbraw/zinc/79/06/13/977790613.db2.gz	SKCPVEMDLLWFIU-UHFFFAOYSA-N	1	0	354.410	1.533	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccc(C#N)cn2)[C@@H](c2cnn(C)c2)C1	ZINC000849592356	977798964	/nfs/dbraw/zinc/79/89/64/977798964.db2.gz	KYNJLNJSDGENAG-RTBURBONSA-N	1	0	366.469	1.817	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N[C@@H](CO)c1cccc(C(F)(F)F)c1	ZINC000868654187	977872037	/nfs/dbraw/zinc/87/20/37/977872037.db2.gz	XQYBXTYQQLTQCN-HNNXBMFYSA-N	1	0	357.376	1.993	20	30		FDEDRO
C[NH2+]C[C@H](C)NC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1	ZINC000850727453	978651146	/nfs/dbraw/zinc/65/11/46/978651146.db2.gz	JYNPSJKVUBOSQW-BMOWLENRSA-N	1	0	367.475	1.229	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC000958250378	1014529868	/nfs/dbraw/zinc/52/98/68/1014529868.db2.gz	SSCAYXRUTSBRON-MLGOLLRUSA-N	1	0	369.425	1.431	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@H](CC)[NH+](C)C)C1	ZINC000968006376	1014550389	/nfs/dbraw/zinc/55/03/89/1014550389.db2.gz	XJPDWLBCBQBPSI-IKGGRYGDSA-N	1	0	351.491	1.367	20	30		FDEDRO
COc1cccc2c1CC[C@@]2(CO)[NH2+]C[C@@H](O)COc1ccccc1C#N	ZINC000880382178	979146104	/nfs/dbraw/zinc/14/61/04/979146104.db2.gz	MAYWJKVRMNUJHY-IERDGZPVSA-N	1	0	368.433	1.730	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1CC[NH+](CCCOC(C)(C)C)CC1	ZINC000880412471	979171983	/nfs/dbraw/zinc/17/19/83/979171983.db2.gz	SPBPUANCIPNSHG-OAHLLOKOSA-N	1	0	354.495	1.210	20	30		FDEDRO
C#CCC1(O)CC[NH+](C[C@H](O)COCc2ccc(OC)c(OC)c2)CC1	ZINC000880477947	979218189	/nfs/dbraw/zinc/21/81/89/979218189.db2.gz	YRKTYNRRVXKMTK-KRWDZBQOSA-N	1	0	363.454	1.432	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(CC(=O)NCCC#N)C2)O1	ZINC000880501376	979252495	/nfs/dbraw/zinc/25/24/95/979252495.db2.gz	LGWGHBSFXREFRH-PXNSSMCTSA-N	1	0	356.470	1.382	20	30		FDEDRO
C#C[C@H](NC(=O)NCc1ccccc1OCC[NH+](C)C)C1CCOCC1	ZINC000852028115	979284564	/nfs/dbraw/zinc/28/45/64/979284564.db2.gz	GSMZZHDKMNFADV-SFHVURJKSA-N	1	0	359.470	1.855	20	30		FDEDRO
C#C[C@@](C)(CC)[NH2+]CC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1	ZINC000852099133	979349952	/nfs/dbraw/zinc/34/99/52/979349952.db2.gz	FKICRYHNKFZLDX-FQEVSTJZSA-N	1	0	357.502	1.949	20	30		FDEDRO
C#C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C)C1CCOCC1	ZINC000852114029	979360180	/nfs/dbraw/zinc/36/01/80/979360180.db2.gz	BCQOTZIVAVNYAJ-YTQUADARSA-N	1	0	365.518	1.851	20	30		FDEDRO
N#Cc1cc(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(F)cc1F	ZINC000880715146	979405315	/nfs/dbraw/zinc/40/53/15/979405315.db2.gz	LDQAJHUBRSMOFV-JKSUJKDBSA-N	1	0	350.369	1.899	20	30		FDEDRO
COC[C@@H]([NH3+])Cc1cn(CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)nn1	ZINC000880982727	979561526	/nfs/dbraw/zinc/56/15/26/979561526.db2.gz	GDVUJDGXCDRUHN-FVOVHSBVSA-N	1	0	369.469	1.675	20	30		FDEDRO
Cc1cc(F)c(C#N)cc1NC(=O)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1	ZINC000880987825	979564464	/nfs/dbraw/zinc/56/44/64/979564464.db2.gz	PGEYRSOUXUPFAG-HNNXBMFYSA-N	1	0	373.432	1.824	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1ccccc1-n1ccc(C)n1	ZINC000128768013	979608748	/nfs/dbraw/zinc/60/87/48/979608748.db2.gz	NQTOEZVVHPBYLQ-UHFFFAOYSA-N	1	0	356.474	1.178	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@H]2CCCC[N@@H+]2C)C1	ZINC000968115787	1014674311	/nfs/dbraw/zinc/67/43/11/1014674311.db2.gz	PQIMPGIROZIRGT-KURKYZTESA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(CC)C(=O)[C@@H]2CCCC[N@@H+]2C)C1	ZINC000968116888	1014675294	/nfs/dbraw/zinc/67/52/94/1014675294.db2.gz	XUQAHWDEJFKOKL-BZSNNMDCSA-N	1	0	363.502	1.511	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)C2CC[NH+](C3CCN(CC)CC3)CC2)CC1	ZINC000882527409	980702271	/nfs/dbraw/zinc/70/22/71/980702271.db2.gz	ASCMQESMXLJBRR-UHFFFAOYSA-N	1	0	361.530	1.560	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(F)c2)CCN1c1cc[nH+]cc1	ZINC000882619564	980759900	/nfs/dbraw/zinc/75/99/00/980759900.db2.gz	OZCXEOWWKSEGOX-CYBMUJFWSA-N	1	0	360.414	1.992	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)C23CCC[NH+]2CCC3)C1	ZINC000968151464	1014698993	/nfs/dbraw/zinc/69/89/93/1014698993.db2.gz	UGEGAXJEEWEXIN-SJORKVTESA-N	1	0	361.486	1.265	20	30		FDEDRO
CCC1([NH+]2CCCCC2)CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1	ZINC000882817219	981709699	/nfs/dbraw/zinc/70/96/99/981709699.db2.gz	RWBAIWJPVQJDGL-UHFFFAOYSA-N	1	0	359.474	1.191	20	30		FDEDRO
Cc1cc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)ncc1Br	ZINC000858137283	981854069	/nfs/dbraw/zinc/85/40/69/981854069.db2.gz	LLEFOXHFAQXQHC-CCEZHUSRSA-N	1	0	365.231	1.769	20	30		FDEDRO
C=CCC[C@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)[C@H]1Cc2ccccc2O1	ZINC000883226268	982021263	/nfs/dbraw/zinc/02/12/63/982021263.db2.gz	VHXFDRVXBIEHBE-JQHSSLGASA-N	1	0	351.468	1.464	20	30		FDEDRO
C=CCC[C@@H]([NH2+]Cc1nnc2n1CCNC2=O)[C@H]1Cc2ccccc2O1	ZINC000883304716	982062502	/nfs/dbraw/zinc/06/25/02/982062502.db2.gz	DJMZATYPMDJTRG-GDBMZVCRSA-N	1	0	353.426	1.450	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](O)C(F)(F)C(F)(F)F)CC1	ZINC000883342440	982086931	/nfs/dbraw/zinc/08/69/31/982086931.db2.gz	XROCBGMVQQPHLM-NSHDSACASA-N	1	0	359.339	1.885	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)COCc1cc[nH]c(=O)c1	ZINC000858566946	982119608	/nfs/dbraw/zinc/11/96/08/982119608.db2.gz	MSFIDKSBASLVRH-UHFFFAOYSA-N	1	0	368.437	1.766	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)N[C@@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)CC1	ZINC000883420704	982132829	/nfs/dbraw/zinc/13/28/29/982132829.db2.gz	RNDVMLHGEMSZRS-ZWKOTPCHSA-N	1	0	365.518	1.683	20	30		FDEDRO
CCn1ncc(CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1	ZINC000858590282	982134281	/nfs/dbraw/zinc/13/42/81/982134281.db2.gz	RDZHRNXDFMUKFR-UHFFFAOYSA-N	1	0	367.457	1.633	20	30		FDEDRO
C=C(C)C[C@@H](CO)NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1	ZINC000883501174	982222291	/nfs/dbraw/zinc/22/22/91/982222291.db2.gz	CCTBWJAWNREBOO-INIZCTEOSA-N	1	0	368.522	1.239	20	30		FDEDRO
Cc1noc(COc2ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cn2)n1	ZINC000858775567	982285157	/nfs/dbraw/zinc/28/51/57/982285157.db2.gz	GFMQSXZNXICSRK-UHFFFAOYSA-N	1	0	372.429	1.660	20	30		FDEDRO
CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C(=O)Nc2cccc(CC#N)n2)CC1	ZINC000883610191	982307083	/nfs/dbraw/zinc/30/70/83/982307083.db2.gz	PJZBNUGHIVRZOF-MRXNPFEDSA-N	1	0	355.442	1.323	20	30		FDEDRO
C=C(C)C[C@H](CO)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000883647817	982343994	/nfs/dbraw/zinc/34/39/94/982343994.db2.gz	FJPPGKQDYGJUNR-RTBURBONSA-N	1	0	361.486	1.904	20	30		FDEDRO
C#C[C@H](NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccccc1	ZINC000883704455	982398187	/nfs/dbraw/zinc/39/81/87/982398187.db2.gz	LHZJIVKDCHFGPR-PMACEKPBSA-N	1	0	370.497	1.457	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1	ZINC000859023999	982464182	/nfs/dbraw/zinc/46/41/82/982464182.db2.gz	AVMOEIOPLPULKU-NJAFHUGGSA-N	1	0	351.491	1.482	20	30		FDEDRO
CC[N@H+](C[C@H](O)CC1(C#N)CCOCC1)C1CN(C(=O)OC(C)(C)C)C1	ZINC000859202388	982616897	/nfs/dbraw/zinc/61/68/97/982616897.db2.gz	PFQLMVYEWRXZDG-MRXNPFEDSA-N	1	0	367.490	1.999	20	30		FDEDRO
COC(=O)[C@]1(C(F)(F)F)CC[N@H+](C[C@H](O)COc2ccccc2C#N)C1	ZINC000859302182	982696109	/nfs/dbraw/zinc/69/61/09/982696109.db2.gz	MOQRXBWNIIHMBY-BBRMVZONSA-N	1	0	372.343	1.725	20	30		FDEDRO
COC(=O)[C@]1(c2ccccc2)CC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000859312034	982703188	/nfs/dbraw/zinc/70/31/88/982703188.db2.gz	GKZOBPOWPKOCJD-WIYYLYMNSA-N	1	0	372.465	1.874	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)NCC(=O)OCCC[NH+]2CCCCC2)c1	ZINC000800079930	982730333	/nfs/dbraw/zinc/73/03/33/982730333.db2.gz	LDGVTMCJYVNEIQ-UHFFFAOYSA-N	1	0	365.455	1.256	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1	ZINC000884062035	982793864	/nfs/dbraw/zinc/79/38/64/982793864.db2.gz	DQSIIMMXAREWQS-IBGZPJMESA-N	1	0	355.486	1.443	20	30		FDEDRO
CC[C@@H](C)NC(=O)c1cccc(CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c1	ZINC000884078512	982832170	/nfs/dbraw/zinc/83/21/70/982832170.db2.gz	OOCZXNCGLLEJHP-KWGJUECJSA-N	1	0	368.481	1.970	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1	ZINC000884084357	982840598	/nfs/dbraw/zinc/84/05/98/982840598.db2.gz	OGZINBHREFPEKP-QGZVFWFLSA-N	1	0	374.460	1.559	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCCNC(=O)c1ccc(F)cc1)C2	ZINC000884134570	982917331	/nfs/dbraw/zinc/91/73/31/982917331.db2.gz	LCAWTIUVZVSPHJ-XAUUPUKJSA-N	1	0	358.417	1.201	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCN(CCc3ccccc3)CC1)C2	ZINC000884181617	982957140	/nfs/dbraw/zinc/95/71/40/982957140.db2.gz	KRJSSCLMPYDJSN-OBXNSHGQSA-N	1	0	352.482	1.513	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1	ZINC000884185676	982961212	/nfs/dbraw/zinc/96/12/12/982961212.db2.gz	CSPXJZNSRCALNC-LPHOPBHVSA-N	1	0	373.497	1.981	20	30		FDEDRO
C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)OCC#CCN1C(=O)c2ccccc2C1=O	ZINC000859663443	982964553	/nfs/dbraw/zinc/96/45/53/982964553.db2.gz	OIWPNCHYPABIQN-HUUCEWRRSA-N	1	0	354.406	1.702	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(N3CCOCC3)cc1)C2	ZINC000884192069	982967947	/nfs/dbraw/zinc/96/79/47/982967947.db2.gz	VCDNFKZSJMDXND-GNZRSQJKSA-N	1	0	354.454	1.279	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCC[C@H]1C(=O)Nc1nccs1)C2	ZINC000884192779	982968761	/nfs/dbraw/zinc/96/87/61/982968761.db2.gz	NWWCATIFZVIPRX-HASVCBABSA-N	1	0	359.455	1.212	20	30		FDEDRO
C[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)N1CCc2sccc2C1	ZINC000884193779	982969493	/nfs/dbraw/zinc/96/94/93/982969493.db2.gz	OYMXQCGGXBFHQU-KQZBIBICSA-N	1	0	358.511	1.750	20	30		FDEDRO
C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C[C@H](C)O1	ZINC000884201666	982976821	/nfs/dbraw/zinc/97/68/21/982976821.db2.gz	DSGVGMMOWXRZCQ-OBUBLPOMSA-N	1	0	360.502	1.226	20	30		FDEDRO
N#CCC(=O)N1CCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC1	ZINC000332145772	983002621	/nfs/dbraw/zinc/00/26/21/983002621.db2.gz	SVDKGTZOAWVAIT-UHFFFAOYSA-N	1	0	372.494	1.433	20	30		FDEDRO
C#CCNC(=O)CC[NH+]1CCC(Cc2nc(C3CCOCC3)no2)CC1	ZINC000859772949	983012505	/nfs/dbraw/zinc/01/25/05/983012505.db2.gz	UUGWNBHBYTYFHQ-UHFFFAOYSA-N	1	0	360.458	1.358	20	30		FDEDRO
N#Cc1cccc(C2(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CCOCC2)c1	ZINC000884409548	983142765	/nfs/dbraw/zinc/14/27/65/983142765.db2.gz	MKHPFORCVCRCPP-IPCDKGFNSA-N	1	0	364.449	1.820	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCCc1cccc3c1OC(F)(F)O3)C2	ZINC000884431616	983152737	/nfs/dbraw/zinc/15/27/37/983152737.db2.gz	ZAEZSCPKGHOZMX-JZLYGMAVSA-N	1	0	363.364	1.806	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CCO2)cc1	ZINC000884471964	983174032	/nfs/dbraw/zinc/17/40/32/983174032.db2.gz	LEKMCBKZUBLRBV-WXNRQPJFSA-N	1	0	355.438	1.734	20	30		FDEDRO
COc1ccccc1[C@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CCO1	ZINC000884472074	983174890	/nfs/dbraw/zinc/17/48/90/983174890.db2.gz	OWMPGBBBIYRYER-NQPCOCOJSA-N	1	0	355.438	1.734	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)CN(C[N@@H+]3CC[C@H]([C@@H]4CCCO4)C3)C2=O)cc1	ZINC000884482501	983184765	/nfs/dbraw/zinc/18/47/65/983184765.db2.gz	CCEKOUJSQZBUGX-ROUUACIJSA-N	1	0	368.437	1.781	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC	ZINC000860711446	983492134	/nfs/dbraw/zinc/49/21/34/983492134.db2.gz	KGEKVMONLVWLOR-MRXNPFEDSA-N	1	0	374.485	1.997	20	30		FDEDRO
C=CCCCCCCCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1	ZINC000861632815	983797061	/nfs/dbraw/zinc/79/70/61/983797061.db2.gz	IPKZEJDWKWEFMS-UHFFFAOYSA-N	1	0	365.522	1.865	20	30		FDEDRO
O=C(N[C@@H]1CCCN(O)C1=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2	ZINC000861827325	983943172	/nfs/dbraw/zinc/94/31/72/983943172.db2.gz	IBDGKFCGGGSPFN-IAGOWNOFSA-N	1	0	357.454	1.785	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCC[N@H+](C)C1	ZINC000862030968	984065030	/nfs/dbraw/zinc/06/50/30/984065030.db2.gz	BYBMHODOYAWQGF-CABCVRRESA-N	1	0	358.442	1.764	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000885007901	985063976	/nfs/dbraw/zinc/06/39/76/985063976.db2.gz	FCQNVWNZHQGUQQ-REPLKXPHSA-N	1	0	368.481	1.942	20	30		FDEDRO
C[C@@H](CNS(=O)(=O)c1ccc(CCC#N)cc1)N1CC[NH+](C)CC1	ZINC000885029167	985117147	/nfs/dbraw/zinc/11/71/47/985117147.db2.gz	QQSRNBREASAGIR-HNNXBMFYSA-N	1	0	350.488	1.057	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(CCC#N)cc3)[C@H]2C1	ZINC000885206856	985241326	/nfs/dbraw/zinc/24/13/26/985241326.db2.gz	QPCXCKWHCILRQA-ZWKOTPCHSA-N	1	0	363.483	1.626	20	30		FDEDRO
C[C@@H](C(=O)N1Cc2ccccc2C2(CC[NH+](C)CC2)C1)n1cnc(C#N)n1	ZINC000870186171	985781555	/nfs/dbraw/zinc/78/15/55/985781555.db2.gz	ZNCAPAIHQCOJSW-HNNXBMFYSA-N	1	0	364.453	1.717	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@@H+](CC)[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000886413812	986177512	/nfs/dbraw/zinc/17/75/12/986177512.db2.gz	DWDOXBZWPIXSLG-ZDUSSCGKSA-N	1	0	354.451	1.330	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH2+][C@@]1(CO)CCCN(Cc2ccccc2)C1	ZINC000886415897	986184366	/nfs/dbraw/zinc/18/43/66/986184366.db2.gz	QKJYSDVVXVYDPH-FQEVSTJZSA-N	1	0	358.486	1.365	20	30		FDEDRO
N#CC1(NC(=O)C[NH2+][C@]2(CO)CCCN(Cc3ccccc3)C2)CCC1	ZINC000886416128	986185776	/nfs/dbraw/zinc/18/57/76/986185776.db2.gz	XFKJANGGHVGMSY-HXUWFJFHSA-N	1	0	356.470	1.166	20	30		FDEDRO
C#CCN(C(=O)Cn1c(C)nc2ccccc2c1=O)C1CC[NH+](C)CC1	ZINC000886577246	986378469	/nfs/dbraw/zinc/37/84/69/986378469.db2.gz	BHWUJORFMDGGQE-UHFFFAOYSA-N	1	0	352.438	1.261	20	30		FDEDRO
C#CCN(C(=O)c1cnc(NC(=O)OC(C)(C)C)cn1)C1CC[NH+](C)CC1	ZINC000886579015	986379695	/nfs/dbraw/zinc/37/96/95/986379695.db2.gz	URHVGUJPKGGHGH-UHFFFAOYSA-N	1	0	373.457	1.993	20	30		FDEDRO
C#CCN(C(=O)c1cn(-c2ccc(F)cc2C)nn1)C1CC[NH+](C)CC1	ZINC000886579087	986380238	/nfs/dbraw/zinc/38/02/38/986380238.db2.gz	XMWYVJYAWHCANL-UHFFFAOYSA-N	1	0	355.417	1.884	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O)C1CC[NH+](C)CC1	ZINC000886583303	986387976	/nfs/dbraw/zinc/38/79/76/986387976.db2.gz	KUGNSCBTRFTGCY-SFHVURJKSA-N	1	0	357.429	1.735	20	30		FDEDRO
C#CCN(C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)C1CC[NH+](C)CC1	ZINC000886589200	986397160	/nfs/dbraw/zinc/39/71/60/986397160.db2.gz	MSEUIVDDUKCVJK-IAGOWNOFSA-N	1	0	359.470	1.108	20	30		FDEDRO
CC(C)[NH+]1CCC(CCNC(=O)CNC(=O)c2ccc(C#N)cc2)CC1	ZINC000870954941	986540245	/nfs/dbraw/zinc/54/02/45/986540245.db2.gz	QUXMRLSXILENHV-UHFFFAOYSA-N	1	0	356.470	1.915	20	30		FDEDRO
COCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1	ZINC000871081677	986651842	/nfs/dbraw/zinc/65/18/42/986651842.db2.gz	AXXGHWNXQLZTID-MSOLQXFVSA-N	1	0	366.469	1.994	20	30		FDEDRO
N#CCCc1ccc(S(=O)(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)cc1	ZINC000886889424	986692767	/nfs/dbraw/zinc/69/27/67/986692767.db2.gz	UTOZRXPHDSZAJP-MRXNPFEDSA-N	1	0	363.483	1.580	20	30		FDEDRO
N#Cc1ccc(F)cc1Cn1cnc2c(cnn2C2CC[NH2+]CC2)c1=O	ZINC000871677369	987191904	/nfs/dbraw/zinc/19/19/04/987191904.db2.gz	IHDPZXLHJUXZBN-UHFFFAOYSA-N	1	0	352.373	1.577	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1	ZINC000871804789	987249577	/nfs/dbraw/zinc/24/95/77/987249577.db2.gz	LHNREAHNSVXYOY-KRWDZBQOSA-N	1	0	358.467	1.911	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1Cl	ZINC000871812696	987263596	/nfs/dbraw/zinc/26/35/96/987263596.db2.gz	BOQALFWOXMSDJR-ONGXEEELSA-N	1	0	367.780	1.969	20	30		FDEDRO
C[C@]1(C#N)CCN(C(=O)C(=O)N2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)C1	ZINC000872198423	987509139	/nfs/dbraw/zinc/50/91/39/987509139.db2.gz	WYHYSVBUERIPSY-OXFYSEKESA-N	1	0	360.502	1.895	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(CN3CCNC3=O)cc2)cc1	ZINC000872234721	987533066	/nfs/dbraw/zinc/53/30/66/987533066.db2.gz	GDKMQMMFTDYZBA-IBGZPJMESA-N	1	0	350.422	1.907	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)N(C)CCCN1CC[NH+](C)CC1	ZINC000872451113	987671406	/nfs/dbraw/zinc/67/14/06/987671406.db2.gz	XGADHMOESQJDAD-UHFFFAOYSA-N	1	0	350.488	1.125	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1	ZINC000872455479	987677344	/nfs/dbraw/zinc/67/73/44/987677344.db2.gz	SWBPBHFLHSOZHJ-KRWDZBQOSA-N	1	0	364.515	1.417	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)N1CCC(OCCC[NH+](C)C)CC1	ZINC000872459658	987681549	/nfs/dbraw/zinc/68/15/49/987681549.db2.gz	VCMYGDWINGXHAI-UHFFFAOYSA-N	1	0	365.499	1.988	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000872507499	987731616	/nfs/dbraw/zinc/73/16/16/987731616.db2.gz	WLGLKIYYBOFMSW-INIZCTEOSA-N	1	0	351.472	1.598	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CN(CN3CC(=O)N(Cc4ccc(C#N)cc4)C3=O)CC[C@H]21	ZINC000872725193	988011324	/nfs/dbraw/zinc/01/13/24/988011324.db2.gz	CLNKNXLKWMUYSP-ZWKOTPCHSA-N	1	0	367.453	1.306	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1	ZINC000360926484	988211258	/nfs/dbraw/zinc/21/12/58/988211258.db2.gz	JVJLHNSPGNQNAJ-BBWFWOEESA-N	1	0	355.438	1.888	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)CC2)cn1	ZINC000872925070	988290068	/nfs/dbraw/zinc/29/00/68/988290068.db2.gz	JJVCBEFZIIUVJY-HNNXBMFYSA-N	1	0	354.458	1.269	20	30		FDEDRO
C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1	ZINC000872947485	988323260	/nfs/dbraw/zinc/32/32/60/988323260.db2.gz	NADHRKXCIVXUBY-RDJZCZTQSA-N	1	0	356.474	1.658	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N(C)C2CCN(c3cccnn3)CC2)CC1	ZINC000366040192	988327278	/nfs/dbraw/zinc/32/72/78/988327278.db2.gz	IWBSTUKNXJBEGQ-UHFFFAOYSA-N	1	0	358.490	1.737	20	30		FDEDRO
C#CCO[C@H](C)C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1	ZINC000294525251	988448114	/nfs/dbraw/zinc/44/81/14/988448114.db2.gz	QPVLOPKNSDKHID-LJQANCHMSA-N	1	0	357.498	1.739	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@]2(N3CCOCC3)CCCOC2)cc1	ZINC000362214814	988607138	/nfs/dbraw/zinc/60/71/38/988607138.db2.gz	CDSUBPHSXHOMSP-XLIONFOSSA-N	1	0	359.470	1.948	20	30		FDEDRO
C[C@H]1CN(C(=O)NCc2ccc(C#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000362412760	988657269	/nfs/dbraw/zinc/65/72/69/988657269.db2.gz	IDSAQUBUSCSMIF-QFBILLFUSA-N	1	0	355.486	1.726	20	30		FDEDRO
C#CCCN1CCN(C(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)CC1	ZINC000299670723	988671976	/nfs/dbraw/zinc/67/19/76/988671976.db2.gz	UNRJNFLKCAFQML-UHFFFAOYSA-N	1	0	368.525	1.998	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)CCOCC1	ZINC000362712790	988714912	/nfs/dbraw/zinc/71/49/12/988714912.db2.gz	XMPILTJKSZGOIE-SFHVURJKSA-N	1	0	372.469	1.752	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1	ZINC000362792306	988731784	/nfs/dbraw/zinc/73/17/84/988731784.db2.gz	POGUSZYKWYRMMH-UHFFFAOYSA-N	1	0	362.474	1.254	20	30		FDEDRO
C#CCCN1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2cccnc2)CC1	ZINC000362921092	988778558	/nfs/dbraw/zinc/77/85/58/988778558.db2.gz	YHLNRZJKSXSMFR-SFHVURJKSA-N	1	0	354.454	1.244	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1	ZINC000366832147	988804024	/nfs/dbraw/zinc/80/40/24/988804024.db2.gz	PULVRXFEBVHUKE-SGIREYDYSA-N	1	0	362.405	1.087	20	30		FDEDRO
CN(C(=O)Cc1cccc(OCC#N)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000366855489	988819457	/nfs/dbraw/zinc/81/94/57/988819457.db2.gz	SXRSOTMZUQDRFG-IBGZPJMESA-N	1	0	370.497	1.758	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CCN1C1CC1	ZINC000363081068	988906535	/nfs/dbraw/zinc/90/65/35/988906535.db2.gz	DROZPGZDMCCXSM-SJORKVTESA-N	1	0	357.458	1.798	20	30		FDEDRO
COc1cc(C#N)ccc1OCCCC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000363117591	988933138	/nfs/dbraw/zinc/93/31/38/988933138.db2.gz	ITUSKVZTJQSDIO-IRXDYDNUSA-N	1	0	373.453	1.705	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1C#N	ZINC000873654037	988939560	/nfs/dbraw/zinc/93/95/60/988939560.db2.gz	VGDAJJLLOYQUQI-QGZVFWFLSA-N	1	0	366.421	1.924	20	30		FDEDRO
Cc1cccnc1NC(=O)[C@@H]1CCC[N@@H+](CCC(=O)N(C)CCC#N)C1	ZINC000367486516	988954059	/nfs/dbraw/zinc/95/40/59/988954059.db2.gz	SALKHXBGHIKRQS-MRXNPFEDSA-N	1	0	357.458	1.803	20	30		FDEDRO
C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)N(CCC#N)c1ccccc1	ZINC000368497033	988995524	/nfs/dbraw/zinc/99/55/24/988995524.db2.gz	UVSYBZAUBRGFKF-UCLAIMLFSA-N	1	0	354.454	1.969	20	30		FDEDRO
C#CCN(CC)C(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(F)c1	ZINC000873689524	988996382	/nfs/dbraw/zinc/99/63/82/988996382.db2.gz	YVYSRLSTJRPXAA-UHFFFAOYSA-N	1	0	360.433	1.388	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(c3cncc(OC)n3)CC2)CC1	ZINC000369338461	989045798	/nfs/dbraw/zinc/04/57/98/989045798.db2.gz	PIZYJUZOROBTDD-UHFFFAOYSA-N	1	0	374.489	1.357	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)CC1	ZINC000369591841	989062238	/nfs/dbraw/zinc/06/22/38/989062238.db2.gz	NFTUDGGOOXGLFQ-KRWDZBQOSA-N	1	0	357.454	1.878	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1	ZINC000296258176	989077394	/nfs/dbraw/zinc/07/73/94/989077394.db2.gz	HQRGOVGUYPLBQB-MRXNPFEDSA-N	1	0	359.474	1.061	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCC(=O)Nc1cccc(C#N)c1	ZINC000369961665	989344520	/nfs/dbraw/zinc/34/45/20/989344520.db2.gz	LNNGSTBBZPIBOP-ATZDWAIDSA-N	1	0	356.470	1.976	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1	ZINC000363682183	989391395	/nfs/dbraw/zinc/39/13/95/989391395.db2.gz	IZTWFGSUPATDIE-RDJZCZTQSA-N	1	0	359.426	1.169	20	30		FDEDRO
C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C1CCN(c2cnccn2)CC1	ZINC000370040752	989409043	/nfs/dbraw/zinc/40/90/43/989409043.db2.gz	MOTNQIGBNXNEHS-SFHVURJKSA-N	1	0	367.453	1.689	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@H](c1nccn1C)c1ccccc1F	ZINC000296780375	989409720	/nfs/dbraw/zinc/40/97/20/989409720.db2.gz	GWMZMZIZBNUZFJ-KRWDZBQOSA-N	1	0	357.433	1.903	20	30		FDEDRO
COCCN(CC[NH+](C)C)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1	ZINC000363726121	989410483	/nfs/dbraw/zinc/41/04/83/989410483.db2.gz	ZALQCIDXTVWJCX-UHFFFAOYSA-N	1	0	374.420	1.925	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1	ZINC000363903421	989458462	/nfs/dbraw/zinc/45/84/62/989458462.db2.gz	IRHWTFYWWXWTFN-DLBZAZTESA-N	1	0	354.458	1.412	20	30		FDEDRO
N#CCCCOc1cccnc1NC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1	ZINC000297000705	989459400	/nfs/dbraw/zinc/45/94/00/989459400.db2.gz	VAAHQPHHISJQQG-OAHLLOKOSA-N	1	0	361.446	1.732	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1Cc2c(OC)ccc(OC)c2[C@H](O)C1	ZINC000297301000	989508992	/nfs/dbraw/zinc/50/89/92/989508992.db2.gz	HPIIYUOSODZPFB-OAHLLOKOSA-N	1	0	361.442	1.218	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H]1C(=O)NCC1CCOCC1	ZINC000370185834	989530578	/nfs/dbraw/zinc/53/05/78/989530578.db2.gz	RYXXFQYWKITSOX-RDJZCZTQSA-N	1	0	364.490	1.002	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc(CC#N)c1	ZINC000873972454	989552718	/nfs/dbraw/zinc/55/27/18/989552718.db2.gz	MOKKXYONWIRKAM-UHFFFAOYSA-N	1	0	372.469	1.508	20	30		FDEDRO
C#CCN(C)C(=O)C(=O)N(CCOCC[NH+](CC)CC)Cc1ccccc1	ZINC000297622954	989581894	/nfs/dbraw/zinc/58/18/94/989581894.db2.gz	BMLQWGIRQZKJTA-UHFFFAOYSA-N	1	0	373.497	1.465	20	30		FDEDRO
CN1CCC([N@@H+]2CC[C@H](NC(=O)NCCc3cccc(C#N)c3)C2)CC1	ZINC000370295111	989632227	/nfs/dbraw/zinc/63/22/27/989632227.db2.gz	UORBAABUGZGPBV-SFHVURJKSA-N	1	0	355.486	1.568	20	30		FDEDRO
CC(C)[C@](C)([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(N)=O	ZINC000297787588	989690932	/nfs/dbraw/zinc/69/09/32/989690932.db2.gz	WOCJZYYZLSNAMC-KRWDZBQOSA-N	1	0	369.387	1.663	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1	ZINC000297819594	989709724	/nfs/dbraw/zinc/70/97/24/989709724.db2.gz	PYSJHIVOHRFXJX-WMZOPIPTSA-N	1	0	359.470	1.779	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1	ZINC000364686375	989717209	/nfs/dbraw/zinc/71/72/09/989717209.db2.gz	LGYSOEDAJZYYAP-UHFFFAOYSA-N	1	0	356.405	2.346	20	30		FDEDRO
C=CCN(C(=O)N[C@H]1CCN(C)C1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000364728687	989741342	/nfs/dbraw/zinc/74/13/42/989741342.db2.gz	KYHLXAJAZAWRQT-ROUUACIJSA-N	1	0	356.470	1.689	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)n1	ZINC000874157498	989822694	/nfs/dbraw/zinc/82/26/94/989822694.db2.gz	YBQFNEBFWSWVQQ-MRXNPFEDSA-N	1	0	355.442	1.805	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3cccc(OCCCC#N)c3)CC[C@H]21	ZINC000874169056	989851412	/nfs/dbraw/zinc/85/14/12/989851412.db2.gz	BXXMKJRVLVZCSS-MAUKXSAKSA-N	1	0	370.453	1.860	20	30		FDEDRO
C[NH+]1CCC(CCNC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1	ZINC000365026262	989966031	/nfs/dbraw/zinc/96/60/31/989966031.db2.gz	KSEPKLFNTGYORG-IBGZPJMESA-N	1	0	368.481	1.897	20	30		FDEDRO
C#CCC1(C(=O)N2CCN(C[C@@H]3CN(C)CCO3)C[C@H]2C)CCCCC1	ZINC000365033208	989973391	/nfs/dbraw/zinc/97/33/91/989973391.db2.gz	NOSSLBQQUXUZHR-MOPGFXCFSA-N	1	0	361.530	1.824	20	30		FDEDRO
CON=C(C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1)c1csc(N)n1	ZINC000874249840	989984501	/nfs/dbraw/zinc/98/45/01/989984501.db2.gz	VUKLEIQHLHOGKG-AVGNSLFASA-N	1	0	365.503	1.940	20	30		FDEDRO
C=CCNC(=O)C(=O)Nc1cc(C)nn1[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000370902959	990108563	/nfs/dbraw/zinc/10/85/63/990108563.db2.gz	OGLZFUKRANLBJY-QGZVFWFLSA-N	1	0	367.453	1.879	20	30		FDEDRO
C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1	ZINC000365294113	990139396	/nfs/dbraw/zinc/13/93/96/990139396.db2.gz	HRIKXNSUROSOGP-INIZCTEOSA-N	1	0	352.442	1.882	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1	ZINC000298594846	990185443	/nfs/dbraw/zinc/18/54/43/990185443.db2.gz	PQQKZXUYMPADCA-LJQANCHMSA-N	1	0	368.481	1.994	20	30		FDEDRO
Cc1nc(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)ccc1C#N	ZINC000298596070	990186567	/nfs/dbraw/zinc/18/65/67/990186567.db2.gz	PMGOICYPWXNVCX-UHFFFAOYSA-N	1	0	350.426	1.339	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH+]2CCN(c3ccc(=O)[nH]n3)CC2)cc1	ZINC000371337155	990366382	/nfs/dbraw/zinc/36/63/82/990366382.db2.gz	SOXLYUSUVFRWME-UHFFFAOYSA-N	1	0	352.442	1.854	20	30		FDEDRO
C[NH+]=C(NCc1c(C)nn(C)c1C)N[C@H]1CCCN(c2cnn(C)c2)C1	ZINC000125053065	990368211	/nfs/dbraw/zinc/36/82/11/990368211.db2.gz	NQJQMPIKDBNXHB-HNNXBMFYSA-N	1	0	358.494	1.104	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2ccc(C)cn2)CC1	ZINC000371445448	990435472	/nfs/dbraw/zinc/43/54/72/990435472.db2.gz	HROCTWLYAHGCMT-AWEZNQCLSA-N	1	0	373.457	1.441	20	30		FDEDRO
N#CC1(NC(=O)[C@H](O)c2cccnc2)CC[NH+](Cc2ccccc2)CC1	ZINC000371537204	990510048	/nfs/dbraw/zinc/51/00/48/990510048.db2.gz	XKRQGRVVSMVZDO-GOSISDBHSA-N	1	0	350.422	1.790	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)[C@H]2C1	ZINC000371636850	990588492	/nfs/dbraw/zinc/58/84/92/990588492.db2.gz	ZNRSXKATZPFWPI-FMKPAKJESA-N	1	0	356.426	1.469	20	30		FDEDRO
C[C@H](C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)n1cnc(C#N)n1	ZINC000409584407	990632407	/nfs/dbraw/zinc/63/24/07/990632407.db2.gz	KJNHOINOCRUPBQ-GFCCVEGCSA-N	1	0	355.402	1.240	20	30		FDEDRO
CN1CC[NH+](CC2(C)CCN(CC(=O)Nc3cccc(C#N)c3)CC2)CC1	ZINC000371833642	990758554	/nfs/dbraw/zinc/75/85/54/990758554.db2.gz	CAMQJIBQBHBROE-UHFFFAOYSA-N	1	0	369.513	1.846	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)N1CCN(C)CC1	ZINC000371875596	990792527	/nfs/dbraw/zinc/79/25/27/990792527.db2.gz	DMJCIYGOZUZSMP-SFHVURJKSA-N	1	0	369.513	1.297	20	30		FDEDRO
C[NH+](C)C[C@H]1CN(CC(=O)N(CCC#N)CCC#N)c2ccccc2O1	ZINC000372004157	990883885	/nfs/dbraw/zinc/88/38/85/990883885.db2.gz	NFWMZZGLIPROLZ-INIZCTEOSA-N	1	0	355.442	1.472	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2nn(C)cc2C(F)F)CC1	ZINC000875182539	991022358	/nfs/dbraw/zinc/02/23/58/991022358.db2.gz	QXKWSBZBZQEVQR-UHFFFAOYSA-N	1	0	369.416	1.131	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](OC3CCC3)CC2)CC1	ZINC000875182472	991022608	/nfs/dbraw/zinc/02/26/08/991022608.db2.gz	OZWOZQABRLMNGW-SFHVURJKSA-N	1	0	363.502	1.703	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1	ZINC000372362170	991040677	/nfs/dbraw/zinc/04/06/77/991040677.db2.gz	VKKHBTYDBGDHPK-QFBILLFUSA-N	1	0	368.481	1.091	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC(F)(F)[C@H](C(=O)OCC)C2)CC1	ZINC000875246245	991185708	/nfs/dbraw/zinc/18/57/08/991185708.db2.gz	BAOYZBVXPPWBQX-AWEZNQCLSA-N	1	0	359.417	1.867	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)c1	ZINC000372579648	991240163	/nfs/dbraw/zinc/24/01/63/991240163.db2.gz	WXJLGWONAJSBMI-FUHWJXTLSA-N	1	0	355.438	1.224	20	30		FDEDRO
Cn1ccnc1CC1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1	ZINC000372608315	991267000	/nfs/dbraw/zinc/26/70/00/991267000.db2.gz	MKFNQAFACOYUGE-UHFFFAOYSA-N	1	0	351.454	1.863	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1	ZINC000875386976	991444583	/nfs/dbraw/zinc/44/45/83/991444583.db2.gz	WHDYUVJUYXQWDI-QCTRZYONSA-N	1	0	351.491	1.463	20	30		FDEDRO
Cc1nn(C)c(C)c1[C@H]1[C@H](C[NH2+]Cc2cc(C#N)n(C)c2)CC(=O)N1C	ZINC000372772663	991511739	/nfs/dbraw/zinc/51/17/39/991511739.db2.gz	MFEPROAMCBCKQY-HNAYVOBHSA-N	1	0	354.458	1.556	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1	ZINC000875426687	991526322	/nfs/dbraw/zinc/52/63/22/991526322.db2.gz	PVHGPHVGTOFBFB-SZMVWBNQSA-N	1	0	363.502	1.607	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)Cc2cccc(C#N)c2)C[C@@H]1C	ZINC000410735735	991752252	/nfs/dbraw/zinc/75/22/52/991752252.db2.gz	KBTUFRVOJYMTAV-YJBOKZPZSA-N	1	0	356.470	1.848	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1	ZINC000875596975	991782687	/nfs/dbraw/zinc/78/26/87/991782687.db2.gz	XMFVDKNEPPCRRP-KRWDZBQOSA-N	1	0	351.491	1.111	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1	ZINC000875598122	991784330	/nfs/dbraw/zinc/78/43/30/991784330.db2.gz	RBZYWJNKTHRKJE-FUHWJXTLSA-N	1	0	363.502	1.444	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)CCCO1	ZINC000373015098	991786347	/nfs/dbraw/zinc/78/63/47/991786347.db2.gz	QPMQEJRSDFVITF-INIZCTEOSA-N	1	0	372.469	1.832	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1	ZINC000875603962	991793402	/nfs/dbraw/zinc/79/34/02/991793402.db2.gz	HGAMCEJEIBKFLQ-IEBWSBKVSA-N	1	0	371.481	1.264	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000875606422	991797398	/nfs/dbraw/zinc/79/73/98/991797398.db2.gz	URXYWNXUQIDGOM-PKOBYXMFSA-N	1	0	371.481	1.264	20	30		FDEDRO
COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N(C)C[C@@H](C)C#N)CC1	ZINC000410833104	991925007	/nfs/dbraw/zinc/92/50/07/991925007.db2.gz	FXLQUUVTTQGIJX-INIZCTEOSA-N	1	0	366.506	1.201	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000410845040	991928051	/nfs/dbraw/zinc/92/80/51/991928051.db2.gz	VUBALCLFRYSAKW-FQEVSTJZSA-N	1	0	359.470	1.116	20	30		FDEDRO
C[NH+](C)C1CCN(CCNC(=O)[C@@]2(C#N)CCc3ccccc3C2)CC1	ZINC000373190617	991991244	/nfs/dbraw/zinc/99/12/44/991991244.db2.gz	LMWGDKLIUVGJBA-NRFANRHFSA-N	1	0	354.498	1.827	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000875918375	992190536	/nfs/dbraw/zinc/19/05/36/992190536.db2.gz	QGSFRQRWJOALRT-XUVXKRRUSA-N	1	0	373.497	1.597	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CC2)C1	ZINC000876279635	992520207	/nfs/dbraw/zinc/52/02/07/992520207.db2.gz	RRUZNMDSMJGSOO-WOJBJXKFSA-N	1	0	367.497	1.447	20	30		FDEDRO
CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1	ZINC000876282781	992522282	/nfs/dbraw/zinc/52/22/82/992522282.db2.gz	XVWFRMRMXLNIMW-IBGZPJMESA-N	1	0	369.513	1.741	20	30		FDEDRO
C=CC[N@@H+](C)CCN(CC)CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1	ZINC000411635883	992524169	/nfs/dbraw/zinc/52/41/69/992524169.db2.gz	CNTKRDQBCRKERV-UHFFFAOYSA-N	1	0	366.550	1.532	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1	ZINC000374042780	992569963	/nfs/dbraw/zinc/56/99/63/992569963.db2.gz	MJOFJUCNACTIMS-UHFFFAOYSA-N	1	0	360.502	1.564	20	30		FDEDRO
CC[C@@H](C)[C@H](NC(N)=O)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000374046465	992572332	/nfs/dbraw/zinc/57/23/32/992572332.db2.gz	VDHSWPBFPMPLGU-WBVHZDCISA-N	1	0	371.485	1.744	20	30		FDEDRO
CCN1C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)CC1=O	ZINC001095492229	992651157	/nfs/dbraw/zinc/65/11/57/992651157.db2.gz	WRWFTNGGBMOWFI-YRXWBPOGSA-N	1	0	366.465	1.648	20	30		FDEDRO
Cc1cc(CN2CCN(C(=O)[C@@H]3[NH2+]CCc4cc(C#N)ccc43)CC2)on1	ZINC000876503208	992670374	/nfs/dbraw/zinc/67/03/74/992670374.db2.gz	COYCCQPPTQBQNH-LJQANCHMSA-N	1	0	365.437	1.386	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1	ZINC000411883845	992678462	/nfs/dbraw/zinc/67/84/62/992678462.db2.gz	DKKKSKQGNZZDBI-QGZVFWFLSA-N	1	0	369.469	1.687	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1	ZINC000876559920	992706122	/nfs/dbraw/zinc/70/61/22/992706122.db2.gz	BZQCYBREIPWIPR-OAHLLOKOSA-N	1	0	371.890	1.131	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(S(=O)(=O)N(CC)CC)cc1	ZINC000876565688	992708316	/nfs/dbraw/zinc/70/83/16/992708316.db2.gz	YRDREYUBUQZURV-OAHLLOKOSA-N	1	0	373.906	1.803	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@]2(COC)C[NH2+]CCO2)cc1	ZINC000876607095	992738630	/nfs/dbraw/zinc/73/86/30/992738630.db2.gz	PEQPPAQBYSVSPR-HXUWFJFHSA-N	1	0	373.453	1.444	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC23CC(C2)CN3C(=O)OC(C)(C)C)CC1	ZINC000876634552	992759590	/nfs/dbraw/zinc/75/95/90/992759590.db2.gz	UWHZMMAUEMMKIF-UHFFFAOYSA-N	1	0	361.486	1.847	20	30		FDEDRO
C=CCNC(=O)c1ccc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)nc1	ZINC000374310428	992766272	/nfs/dbraw/zinc/76/62/72/992766272.db2.gz	MDJISCBJIXIVCP-AEFFLSMTSA-N	1	0	357.502	1.460	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1	ZINC000876646701	992768602	/nfs/dbraw/zinc/76/86/02/992768602.db2.gz	XITUGZWFHCKUFC-AWEZNQCLSA-N	1	0	357.788	1.719	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1	ZINC000876753373	992874302	/nfs/dbraw/zinc/87/43/02/992874302.db2.gz	DTXPORCBVYMSJN-DZGCQCFKSA-N	1	0	356.898	1.048	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)CC2)CC[N@@H+]1C	ZINC000964941145	1015739859	/nfs/dbraw/zinc/73/98/59/1015739859.db2.gz	LOFYQBCFIAZNBT-UWWQBHOKSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)s1	ZINC000876849608	992937527	/nfs/dbraw/zinc/93/75/27/992937527.db2.gz	VFSZGMSAOMNFAR-HWWQOWPSSA-N	1	0	371.528	1.258	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1	ZINC000876874711	992944682	/nfs/dbraw/zinc/94/46/82/992944682.db2.gz	ITPJQYPIBDAZMT-CQSZACIVSA-N	1	0	354.813	1.972	20	30		FDEDRO
C=CCC[C@H](O)C[NH+]1CCN([C@@H]2CCCN(C3CCOCC3)C2=O)CC1	ZINC000374822659	992951379	/nfs/dbraw/zinc/95/13/79/992951379.db2.gz	SUZVKEOXPPKYRH-RBUKOAKNSA-N	1	0	365.518	1.101	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O	ZINC000876911472	992964362	/nfs/dbraw/zinc/96/43/62/992964362.db2.gz	DXXDXTZQRXYRIZ-WDSOQIARSA-N	1	0	369.465	1.429	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cccc(CN2CCCS2(=O)=O)c1	ZINC000876959554	992983908	/nfs/dbraw/zinc/98/39/08/992983908.db2.gz	MUAJJIGVZNBISR-CQSZACIVSA-N	1	0	357.863	1.631	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NC1(CN2CCN(c3ccccc3)CC2)CC1	ZINC000876971682	992990750	/nfs/dbraw/zinc/99/07/50/992990750.db2.gz	RSCNLWRQJXJJSD-KRWDZBQOSA-N	1	0	362.905	1.927	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCO[C@@H](CC(F)(F)F)C1	ZINC000876978084	992993670	/nfs/dbraw/zinc/99/36/70/992993670.db2.gz	FSWQHCYSVXWZCM-DZGCQCFKSA-N	1	0	353.344	1.925	20	30		FDEDRO
C=C(Cl)C[C@H](NC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)C(=O)OCC	ZINC000877144623	993069048	/nfs/dbraw/zinc/06/90/48/993069048.db2.gz	RCFGVFAYWQGGKK-KBPBESRZSA-N	1	0	354.838	1.612	20	30		FDEDRO
N#Cc1ccc2c(c1)CCN[C@H]2C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1	ZINC000877199435	993100209	/nfs/dbraw/zinc/10/02/09/993100209.db2.gz	RCFIKQDHIOMXKZ-LJQANCHMSA-N	1	0	362.437	1.188	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1nnn([C@@H]3CC[NH2+]C3)c1C(F)F)C2	ZINC000877267202	993164068	/nfs/dbraw/zinc/16/40/68/993164068.db2.gz	ZJRGAIUQMFUBAQ-UONOGXRCSA-N	1	0	372.379	1.519	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)[C@@H]([NH3+])c3cccc(Cl)c3)CC2)cn1	ZINC000877296960	993193240	/nfs/dbraw/zinc/19/32/40/993193240.db2.gz	MHOPKUSSYUUFEX-KRWDZBQOSA-N	1	0	355.829	1.955	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CCC[C@H](NC(=O)N3CCOCC3)C2)cc1	ZINC001137122697	993353216	/nfs/dbraw/zinc/35/32/16/993353216.db2.gz	NWSOCGYHGKJAMQ-KRWDZBQOSA-N	1	0	358.442	1.595	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cn1	ZINC000965055356	1015809701	/nfs/dbraw/zinc/80/97/01/1015809701.db2.gz	OJQIWQZHXBKTME-ATZDWAIDSA-N	1	0	368.481	1.514	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CC[N@@H+](C[C@@H](O)C[C@H](O)c3ccccc3)C2)nc1	ZINC000878641741	994084604	/nfs/dbraw/zinc/08/46/04/994084604.db2.gz	TXPJAQQGKYCEPO-OTWHNJEPSA-N	1	0	353.422	1.891	20	30		FDEDRO
N#Cc1ccnc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-]	ZINC000471066796	994244104	/nfs/dbraw/zinc/24/41/04/994244104.db2.gz	RYEXVMFEHDYEJM-GOSISDBHSA-N	1	0	353.382	1.910	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1	ZINC000878927768	994356464	/nfs/dbraw/zinc/35/64/64/994356464.db2.gz	YMWYNKFLKHJWDZ-UHFFFAOYSA-N	1	0	373.409	1.974	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1cn(C)nc1C)C2	ZINC000965140425	1015856701	/nfs/dbraw/zinc/85/67/01/1015856701.db2.gz	BRKBATTUQVQMHP-INFDXNDLSA-N	1	0	358.486	1.837	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1snnc1C)C2	ZINC000965159948	1015864727	/nfs/dbraw/zinc/86/47/27/1015864727.db2.gz	ITSIAYXCAOMEJN-WZRIJVRPSA-N	1	0	362.499	1.955	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCNC(=O)C1)C2	ZINC001110887367	994508655	/nfs/dbraw/zinc/50/86/55/994508655.db2.gz	IRZYQPWZKLOTRE-ZACQAIPSSA-N	1	0	350.507	1.110	20	30		FDEDRO
Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2C[C@H](O)c2ccc(C#N)cc2)cn1	ZINC000879190115	994615657	/nfs/dbraw/zinc/61/56/57/994615657.db2.gz	JKQZADABHDTFHR-MSOLQXFVSA-N	1	0	353.426	1.220	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)NCCCCCN1CC[NH2+]CC1	ZINC000923682366	994749116	/nfs/dbraw/zinc/74/91/16/994749116.db2.gz	PUOLGPMCLWUPDI-UHFFFAOYSA-N	1	0	350.488	1.221	20	30		FDEDRO
CC[C@H](C#N)Oc1cc(CN2C(=O)N[C@@H](C[NH+](C)C)C2=O)ccc1OC	ZINC000924646080	994909273	/nfs/dbraw/zinc/90/92/73/994909273.db2.gz	JVXUBBLVMXXOBR-KGLIPLIRSA-N	1	0	360.414	1.358	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000879591097	995057487	/nfs/dbraw/zinc/05/74/87/995057487.db2.gz	JLCJAWKDDHDQKE-INIZCTEOSA-N	1	0	355.486	1.597	20	30		FDEDRO
C[NH+](C)CCn1nccc1NC(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC000879673875	995160130	/nfs/dbraw/zinc/16/01/30/995160130.db2.gz	RBGNRUMWAXRDEG-UHFFFAOYSA-N	1	0	368.445	1.065	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2OCCO[C@H]2C)C1	ZINC000968958814	1015942424	/nfs/dbraw/zinc/94/24/24/1015942424.db2.gz	SPJRPPGMSJBXRK-XCRHUMRWSA-N	1	0	359.426	1.061	20	30		FDEDRO
C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCCOC	ZINC001110900451	995422366	/nfs/dbraw/zinc/42/23/66/995422366.db2.gz	AHQQEEUWGLNLLT-HCXYKTFWSA-N	1	0	366.502	1.316	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(Cc2ccc(CN3CC[NH+](C)CC3)cc2)C1=O	ZINC000925277513	995447450	/nfs/dbraw/zinc/44/74/50/995447450.db2.gz	UDTDBZPHSARDCB-GOSISDBHSA-N	1	0	372.469	1.057	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC[N@@H+]1C	ZINC000925318978	995486202	/nfs/dbraw/zinc/48/62/02/995486202.db2.gz	REFJYSGQTFSDSH-OCCSQVGLSA-N	1	0	358.446	1.348	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@@H](N2CCC[C@H]([NH2+]C3CCOCC3)C2)C1=O	ZINC000880204647	995720814	/nfs/dbraw/zinc/72/08/14/995720814.db2.gz	ZPEHLUGDJGPNIL-DLBZAZTESA-N	1	0	374.510	1.958	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@H]([NH2+]C2CCOCC2)C1	ZINC000880212100	995723862	/nfs/dbraw/zinc/72/38/62/995723862.db2.gz	YGNMWDOYTIWOMW-AYBZRNKSSA-N	1	0	350.507	1.662	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)COc1cccc(C#N)c1)C2	ZINC000926183851	995965815	/nfs/dbraw/zinc/96/58/15/995965815.db2.gz	QEQLJZQYNMNBPW-HNBVOPMISA-N	1	0	357.454	1.533	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O	ZINC000926235007	995983312	/nfs/dbraw/zinc/98/33/12/995983312.db2.gz	PHJAHAHBBQXCHU-MWKCUULMSA-N	1	0	350.503	1.954	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1	ZINC000926321536	996053166	/nfs/dbraw/zinc/05/31/66/996053166.db2.gz	QQKAMUHUNLAOOB-CRAIPNDOSA-N	1	0	354.454	1.516	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1	ZINC000926321539	996053423	/nfs/dbraw/zinc/05/34/23/996053423.db2.gz	QQKAMUHUNLAOOB-YJBOKZPZSA-N	1	0	354.454	1.516	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1	ZINC000926787237	996302764	/nfs/dbraw/zinc/30/27/64/996302764.db2.gz	NSQIQIQHSNFYPY-UHFFFAOYSA-N	1	0	374.485	1.269	20	30		FDEDRO
CCO[C@H](CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)C[NH+](C)C	ZINC000926843567	996335993	/nfs/dbraw/zinc/33/59/93/996335993.db2.gz	FEYPMVBYCRTVCV-HZPDHXFCSA-N	1	0	361.446	1.083	20	30		FDEDRO
CCO[C@@H](CNC(=O)N1CCC(C#N)(c2ccccn2)CC1)C[NH+](C)C	ZINC000926845343	996337169	/nfs/dbraw/zinc/33/71/69/996337169.db2.gz	PFWVPHAZWKNIGD-INIZCTEOSA-N	1	0	359.474	1.615	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)NCC(=O)NCc1ccccc1)c1ccc(C#N)cc1	ZINC000926968816	996382065	/nfs/dbraw/zinc/38/20/65/996382065.db2.gz	ZADLKETZTDLVMA-HNNXBMFYSA-N	1	0	350.422	1.641	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1cn(C)nn1)C2	ZINC000965425145	1016060711	/nfs/dbraw/zinc/06/07/11/1016060711.db2.gz	QKTJXQPXMNVCNP-FQLGJLQJSA-N	1	0	359.474	1.313	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1cncn1C)C2	ZINC000965425528	1016060403	/nfs/dbraw/zinc/06/04/03/1016060403.db2.gz	VNGFPQWLTCPSPU-ZHXPNREASA-N	1	0	358.486	1.918	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1	ZINC000887038686	996858610	/nfs/dbraw/zinc/85/86/10/996858610.db2.gz	YEOLKINVSKDJAI-IBGZPJMESA-N	1	0	356.426	1.498	20	30		FDEDRO
CC[C@H](C)[C@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(N)=O	ZINC000887059267	996885582	/nfs/dbraw/zinc/88/55/82/996885582.db2.gz	NGNOIBTYZDMJRQ-LRDDRELGSA-N	1	0	369.387	1.663	20	30		FDEDRO
C[NH+]=C(NCc1ccco1)NCc1cccc(OCCN2CCOCC2)c1	ZINC000264031927	997384662	/nfs/dbraw/zinc/38/46/62/997384662.db2.gz	DXCMANOPRIGVBQ-UHFFFAOYSA-N	1	0	372.469	1.856	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NCc1ccc(N2CCOCC2)cc1C(F)(F)F	ZINC000264076481	997396301	/nfs/dbraw/zinc/39/63/01/997396301.db2.gz	FYGRKGDGLSZSTO-GFCCVEGCSA-N	1	0	374.407	1.981	20	30		FDEDRO
COc1ccc([C@H](CNC(=[NH2+])NCC(C)C)N2CCOCC2)cc1OC	ZINC000264143387	997412498	/nfs/dbraw/zinc/41/24/98/997412498.db2.gz	XBPREOIZNKFIOE-INIZCTEOSA-N	1	0	364.490	1.637	20	30		FDEDRO
COc1ccccc1CNC(=[NH2+])NCc1ccc(N2CCOCC2)nc1	ZINC000264144596	997414543	/nfs/dbraw/zinc/41/45/43/997414543.db2.gz	XICKTFWLWCDLCV-UHFFFAOYSA-N	1	0	355.442	1.531	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(=O)OC)c(C)c2)CC1	ZINC000264337846	997468235	/nfs/dbraw/zinc/46/82/35/997468235.db2.gz	BDISLWUMNCCOAT-UHFFFAOYSA-N	1	0	373.453	1.877	20	30		FDEDRO
CN(C)C(=O)CN1CCC(NC(=O)Nc2cccc(OCC#N)c2)CC1	ZINC000264595388	997552367	/nfs/dbraw/zinc/55/23/67/997552367.db2.gz	HCBBTIACVOZIRP-UHFFFAOYSA-N	1	0	359.430	1.263	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC2CCN(Cc3nc(C)c(C)o3)CC2)CC1	ZINC000264720485	997581013	/nfs/dbraw/zinc/58/10/13/997581013.db2.gz	OXQAEORTUREDSC-UHFFFAOYSA-N	1	0	372.513	1.965	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCO[C@H](CNC(C)=O)C1)C(C)C	ZINC000265375096	997776087	/nfs/dbraw/zinc/77/60/87/997776087.db2.gz	HTURKFSODAFGST-QZTJIDSGSA-N	1	0	366.506	1.232	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc(C2CC2)c(C#N)c1	ZINC000890011231	998772118	/nfs/dbraw/zinc/77/21/18/998772118.db2.gz	NBKBDDSZMGNEMM-XIKOKIGWSA-N	1	0	352.438	1.973	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccc(CC#N)n2)C1	ZINC000890028107	998782097	/nfs/dbraw/zinc/78/20/97/998782097.db2.gz	KDCWOAOVTQLBOJ-OAHLLOKOSA-N	1	0	357.458	1.570	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)Nc1cccc(CC#N)n1)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000890077762	998805927	/nfs/dbraw/zinc/80/59/27/998805927.db2.gz	WXXDWIINRLFFAO-CABCVRRESA-N	1	0	369.469	1.855	20	30		FDEDRO
C#C[C@@H](CC)NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000890215697	998873446	/nfs/dbraw/zinc/87/34/46/998873446.db2.gz	RXUQMUWVBRTFIN-MAUKXSAKSA-N	1	0	354.454	1.438	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)N2CCOC[C@H]2c2ccc(OC)cc2)C1	ZINC000890361224	998913319	/nfs/dbraw/zinc/91/33/19/998913319.db2.gz	MGIHVABEKQWSLD-MJGOQNOKSA-N	1	0	357.454	1.876	20	30		FDEDRO
CSc1ccc(CNC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)cc1C#N	ZINC000890447603	998947145	/nfs/dbraw/zinc/94/71/45/998947145.db2.gz	HKNJEBQQDSQTPZ-KGLIPLIRSA-N	1	0	362.499	1.877	20	30		FDEDRO
N#Cc1c(F)cccc1NC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CCO1	ZINC001066687684	999022651	/nfs/dbraw/zinc/02/26/51/999022651.db2.gz	PBKFAIHAOIBNEC-MGPQQGTHSA-N	1	0	369.400	1.863	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C2	ZINC001110857911	999054818	/nfs/dbraw/zinc/05/48/18/999054818.db2.gz	WQIAVYICSQCSKO-QRVBRYPASA-N	1	0	374.529	1.112	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)C2	ZINC001110873284	999091908	/nfs/dbraw/zinc/09/19/08/999091908.db2.gz	PJJYCRWGUSUBLI-XWIASGKRSA-N	1	0	369.252	1.406	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCCCOC)cc1	ZINC001110884056	999112025	/nfs/dbraw/zinc/11/20/25/999112025.db2.gz	TULVNNODLOGYQZ-QRVBRYPASA-N	1	0	369.465	1.156	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)/C=C/c1ccc(OCC#N)c(OC)c1	ZINC000266171516	999124943	/nfs/dbraw/zinc/12/49/43/999124943.db2.gz	UIHYDMJULSUUJF-SOFGYWHQSA-N	1	0	361.442	1.695	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(CCC(=O)OC)cc2)CC1	ZINC000266690306	999213862	/nfs/dbraw/zinc/21/38/62/999213862.db2.gz	LMKAOZXBMWAVEG-UHFFFAOYSA-N	1	0	373.453	1.497	20	30		FDEDRO
CCOCCCNC(=O)[C@@H](C)O/[NH+]=C/c1ccc(N2CCOCC2)cc1	ZINC000267442882	999336428	/nfs/dbraw/zinc/33/64/28/999336428.db2.gz	PRCYOAUFCAEBMO-GXPOEHQZSA-N	1	0	363.458	1.805	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C	ZINC000268236536	999434487	/nfs/dbraw/zinc/43/44/87/999434487.db2.gz	ZWOSKXUNUGIMTE-MLGOLLRUSA-N	1	0	359.401	1.375	20	30		FDEDRO
N#CCC[C@@H](NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)c1ccccc1	ZINC000269641293	999470645	/nfs/dbraw/zinc/47/06/45/999470645.db2.gz	XLXBQIBKMRGGJN-SJORKVTESA-N	1	0	357.458	1.670	20	30		FDEDRO
N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CC[C@H](C[NH+]3CCCCC3)C1)CC2	ZINC000270189278	999523392	/nfs/dbraw/zinc/52/33/92/999523392.db2.gz	NGROFNKPDVTYDW-QGZVFWFLSA-N	1	0	366.465	1.782	20	30		FDEDRO
C=CCOc1ccc(C[NH+]2CCC(C(=O)NCCCO)CC2)cc1OC	ZINC000271047966	999652828	/nfs/dbraw/zinc/65/28/28/999652828.db2.gz	MZIDKWSXJYAPMQ-UHFFFAOYSA-N	1	0	362.470	1.971	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)nn1CCC#N	ZINC000271104741	999661878	/nfs/dbraw/zinc/66/18/78/999661878.db2.gz	ZNZJLASLYVNNPJ-OAHLLOKOSA-N	1	0	360.462	1.280	20	30		FDEDRO
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)n1	ZINC000271563078	999712553	/nfs/dbraw/zinc/71/25/53/999712553.db2.gz	NHKNERUUVJZJEU-KGLIPLIRSA-N	1	0	358.446	1.191	20	30		FDEDRO
CCCNC(=O)C[C@@H](C(N)=O)[N@H+](CCC)C[C@@H](O)c1ccc(C#N)cc1	ZINC000273905060	999732537	/nfs/dbraw/zinc/73/25/37/999732537.db2.gz	YFEFPLWZQWJZEC-DLBZAZTESA-N	1	0	360.458	1.074	20	30		FDEDRO
CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)C[C@@H](O)c1ccc(C#N)cc1	ZINC000273905062	999732563	/nfs/dbraw/zinc/73/25/63/999732563.db2.gz	YFEFPLWZQWJZEC-IAGOWNOFSA-N	1	0	360.458	1.074	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1	ZINC000274066318	999735803	/nfs/dbraw/zinc/73/58/03/999735803.db2.gz	PGGIGQJWOROFDF-ZDUSSCGKSA-N	1	0	370.413	1.121	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC(c3ccc4c(c3)CCO4)=NO2)CC1	ZINC000283886456	999762986	/nfs/dbraw/zinc/76/29/86/999762986.db2.gz	WXIZEWLWJKYPIU-GOSISDBHSA-N	1	0	367.449	1.576	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@@H](C)c1cnn(C)c1)C(C)C	ZINC000284084717	999776266	/nfs/dbraw/zinc/77/62/66/999776266.db2.gz	OQKLDRPFVZWLMQ-DOTOQJQBSA-N	1	0	361.490	1.412	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NCc1cccnc1OC)C(C)C	ZINC000284297826	999800834	/nfs/dbraw/zinc/80/08/34/999800834.db2.gz	TWGRMJZHKRHIFP-QGZVFWFLSA-N	1	0	374.485	1.521	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C	ZINC000284474792	999839966	/nfs/dbraw/zinc/83/99/66/999839966.db2.gz	OISANUFGUBUBIA-UHFFFAOYSA-N	1	0	361.486	1.852	20	30		FDEDRO
C[C@]1(O)CCOC[C@H]1[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1	ZINC000284891137	999879029	/nfs/dbraw/zinc/87/90/29/999879029.db2.gz	SMWQHASTAKLJSZ-BJLQDIEVSA-N	1	0	357.454	1.426	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1cccc(C[N@@H+](C)CC)c1	ZINC000285022692	999895192	/nfs/dbraw/zinc/89/51/92/999895192.db2.gz	MWHUIWKSCIKRMU-RTBURBONSA-N	1	0	373.497	1.852	20	30		FDEDRO
C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N(C)Cc1ccc(C#N)cc1	ZINC000285088918	999901682	/nfs/dbraw/zinc/90/16/82/999901682.db2.gz	PKRLZODHEFNPSA-IXDOHACOSA-N	1	0	370.497	1.999	20	30		FDEDRO
C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N(C)Cc1cccc(C#N)c1	ZINC000285156557	999903458	/nfs/dbraw/zinc/90/34/58/999903458.db2.gz	SYVUHNAWQDJCCS-IXDOHACOSA-N	1	0	370.497	1.999	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC(c3ccncc3)CC2)CC1	ZINC000286478009	999944670	/nfs/dbraw/zinc/94/46/70/999944670.db2.gz	JCEAOQFUDUKHEV-UHFFFAOYSA-N	1	0	370.497	1.944	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1	ZINC000287358793	999956883	/nfs/dbraw/zinc/95/68/83/999956883.db2.gz	NJDRYJLHRZODSV-NEWSRXKRSA-N	1	0	373.497	1.721	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1	ZINC000288021806	999983490	/nfs/dbraw/zinc/98/34/90/999983490.db2.gz	KBPMXHLJHKVKBQ-UHFFFAOYSA-N	1	0	356.470	1.755	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C	ZINC000288224556	999998382	/nfs/dbraw/zinc/99/83/82/999998382.db2.gz	REPVZKSVAQXUEF-YOEHRIQHSA-N	1	0	373.428	1.861	20	30		FDEDRO
C=CCc1cc(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc(OC)c1OC	ZINC000289278882	1000087117	/nfs/dbraw/zinc/08/71/17/1000087117.db2.gz	PXZGNQQAISSPNS-KRWDZBQOSA-N	1	0	359.470	1.552	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1	ZINC000289507532	1000103408	/nfs/dbraw/zinc/10/34/08/1000103408.db2.gz	ZSFIKDQRWUHPII-UHFFFAOYSA-N	1	0	356.470	1.755	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC2CCC(C)([NH+]3CCC3)CC2)CC1	ZINC000927287409	1000751267	/nfs/dbraw/zinc/75/12/67/1000751267.db2.gz	DQMDKWWLQAGRRG-UHFFFAOYSA-N	1	0	360.502	1.564	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC[C@@H]1CCS(=O)(=O)C1	ZINC001110925242	1000908681	/nfs/dbraw/zinc/90/86/81/1000908681.db2.gz	PZDPKJZNSQFPGA-TVFCKZIOSA-N	1	0	366.527	1.726	20	30		FDEDRO
C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1	ZINC000927633243	1000946576	/nfs/dbraw/zinc/94/65/76/1000946576.db2.gz	MSWAFPWMPCEVND-INIZCTEOSA-N	1	0	365.474	1.226	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CC[C@@H](C)[C@@H](C[NH3+])C3)cc21	ZINC000927803492	1001063266	/nfs/dbraw/zinc/06/32/66/1001063266.db2.gz	PTVXXNBXAHEYDC-HIFRSBDPSA-N	1	0	355.442	1.604	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c(F)c1	ZINC000927845564	1001106678	/nfs/dbraw/zinc/10/66/78/1001106678.db2.gz	MVVKDXVLGMBCFZ-MWLCHTKSSA-N	1	0	358.295	1.374	20	30		FDEDRO
CC1(C)CN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1[NH3+]	ZINC000927855151	1001127756	/nfs/dbraw/zinc/12/77/56/1001127756.db2.gz	SEDFOWHVRLMMFZ-LBPRGKRZSA-N	1	0	354.332	1.711	20	30		FDEDRO
C[N@@H+]1CC[C@@H]1CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1	ZINC000928553253	1001570504	/nfs/dbraw/zinc/57/05/04/1001570504.db2.gz	MARRRLZELSKWRY-CQSZACIVSA-N	1	0	363.259	1.577	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2c(Br)nc3n2CCC3)CC1	ZINC000928649168	1001607044	/nfs/dbraw/zinc/60/70/44/1001607044.db2.gz	HFCXSXYCYOZODO-UHFFFAOYSA-N	1	0	351.248	1.419	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1	ZINC000928653916	1001610666	/nfs/dbraw/zinc/61/06/66/1001610666.db2.gz	GCANRUSSGBRQPB-KRWDZBQOSA-N	1	0	356.382	1.302	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2nnn(-c3ccc4ncccc4c3)c2C)CC1	ZINC000928655332	1001611150	/nfs/dbraw/zinc/61/11/50/1001611150.db2.gz	PNOHRNIYLHCYNM-UHFFFAOYSA-N	1	0	374.448	1.951	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)N2CCSCC2)CC1	ZINC000928656702	1001612504	/nfs/dbraw/zinc/61/25/04/1001612504.db2.gz	BVCCCLRFCGAMHS-IBGZPJMESA-N	1	0	357.523	1.990	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CN2C(=S)N=NC2c2cccs2)CC1	ZINC000928659520	1001615375	/nfs/dbraw/zinc/61/53/75/1001615375.db2.gz	PKMANEQSPOZVPE-UHFFFAOYSA-N	1	0	361.496	1.509	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CSc2nnc(-c3ccco3)n2CC)CC1	ZINC000928660829	1001615878	/nfs/dbraw/zinc/61/58/78/1001615878.db2.gz	IHJXLHOGYMTLCW-UHFFFAOYSA-N	1	0	373.482	1.864	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H](C)CCc1ccc(O)cc1)C1CC[NH+](C)CC1	ZINC000929283555	1001900825	/nfs/dbraw/zinc/90/08/25/1001900825.db2.gz	SKNNZQPFNIOEMS-MRXNPFEDSA-N	1	0	371.481	1.386	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)N(C)C	ZINC001110967044	1001965013	/nfs/dbraw/zinc/96/50/13/1001965013.db2.gz	PTSBQNNOHXGPEE-OAGGEKHMSA-N	1	0	357.520	1.346	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2C)cc1	ZINC000947964965	1001984147	/nfs/dbraw/zinc/98/41/47/1001984147.db2.gz	MSKDGKBQWPCMAB-LZQZEXGQSA-N	1	0	371.481	1.922	20	30		FDEDRO
Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)ccc1Cl	ZINC001110973009	1002150620	/nfs/dbraw/zinc/15/06/20/1002150620.db2.gz	MYQFTEKPSXYREC-BMFZPTHFSA-N	1	0	360.845	1.623	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)c1c[nH+]ccc1N(C)C	ZINC000948201839	1002173755	/nfs/dbraw/zinc/17/37/55/1002173755.db2.gz	KYXGCHCWPIXFKW-MLGOLLRUSA-N	1	0	366.425	1.238	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1CCC(NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1	ZINC000948203869	1002175657	/nfs/dbraw/zinc/17/56/57/1002175657.db2.gz	TWFFRVBBZNOMER-OGWOLHLISA-N	1	0	351.491	1.415	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](CCOCC(F)(F)F)C2	ZINC001111744178	1002669635	/nfs/dbraw/zinc/66/96/35/1002669635.db2.gz	OFEGHJZFQOAFDK-DZKIICNBSA-N	1	0	362.392	1.574	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccoc2CC)C[C@H]1C	ZINC000948809205	1002725334	/nfs/dbraw/zinc/72/53/34/1002725334.db2.gz	RTGTYHFMYKMBTB-OIISXLGYSA-N	1	0	357.454	1.516	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2c2ccc(OC)cn2)CC1	ZINC000930006438	1002728501	/nfs/dbraw/zinc/72/85/01/1002728501.db2.gz	GEANZDWGMXOONM-SFHVURJKSA-N	1	0	372.469	1.520	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2c2ccc(OC)cn2)CC1	ZINC000930006433	1002728772	/nfs/dbraw/zinc/72/87/72/1002728772.db2.gz	GEANZDWGMXOONM-GOSISDBHSA-N	1	0	372.469	1.520	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](c3ccn(C)n3)C2)CC1	ZINC000930010868	1002734045	/nfs/dbraw/zinc/73/40/45/1002734045.db2.gz	VKJDEMOSHABQNO-INIZCTEOSA-N	1	0	373.501	1.283	20	30		FDEDRO
C#CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)CC1	ZINC000948849437	1002756463	/nfs/dbraw/zinc/75/64/63/1002756463.db2.gz	QBSJGAYIOWBCAA-CEXWTWQISA-N	1	0	358.486	1.624	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1	ZINC000949064332	1002966207	/nfs/dbraw/zinc/96/62/07/1002966207.db2.gz	FVIVCUYFIAXYQW-SQNIBIBYSA-N	1	0	365.518	1.519	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C)cc1	ZINC000949197023	1003084047	/nfs/dbraw/zinc/08/40/47/1003084047.db2.gz	DMLHPWRXAIWPLH-HHXXYDBFSA-N	1	0	371.481	1.780	20	30		FDEDRO
C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCN2C(=O)CNC2=O)CC1	ZINC001110989092	1003092891	/nfs/dbraw/zinc/09/28/91/1003092891.db2.gz	GQWWXYPEOKYPTK-OAGGEKHMSA-N	1	0	374.485	1.396	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC1)C[N@H+](C[C@@H](C)OC)CCO2	ZINC000949370452	1003268442	/nfs/dbraw/zinc/26/84/42/1003268442.db2.gz	SLXYXFWSNBCENG-KURKYZTESA-N	1	0	366.502	1.696	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)C(=O)O1	ZINC000930645940	1003356848	/nfs/dbraw/zinc/35/68/48/1003356848.db2.gz	JBVABSYXRJQMJW-ZNMIVQPWSA-N	1	0	366.458	1.862	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC1)C[N@H+](C[C@@H](C)OC)CCO2	ZINC000949492387	1003394724	/nfs/dbraw/zinc/39/47/24/1003394724.db2.gz	AAQMJTBHVGNHIH-SQNIBIBYSA-N	1	0	366.502	1.696	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Nc1ccc(CN2C(=O)CCCC2=O)cc1	ZINC000930837107	1003565834	/nfs/dbraw/zinc/56/58/34/1003565834.db2.gz	KIUHONAVHMSAQN-UHFFFAOYSA-N	1	0	356.426	1.412	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCC=C	ZINC001111291638	1003600137	/nfs/dbraw/zinc/60/01/37/1003600137.db2.gz	KAMOXLZFHOTDJI-NXHRZFHOSA-N	1	0	355.438	1.631	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)C2)CC1	ZINC000949864757	1003759321	/nfs/dbraw/zinc/75/93/21/1003759321.db2.gz	GUAKCAOFBMSENP-PKOFMYQESA-N	1	0	371.525	1.731	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1	ZINC000931080298	1003855550	/nfs/dbraw/zinc/85/55/50/1003855550.db2.gz	BNCQYUALSOFJPV-IOASZLSFSA-N	1	0	362.455	1.540	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1	ZINC000931083568	1003860229	/nfs/dbraw/zinc/86/02/29/1003860229.db2.gz	YURQUHUXDQELMK-MCIONIFRSA-N	1	0	362.455	1.398	20	30		FDEDRO
Cn1cc(C2=NC[C@@H](C[NH+]3CCC(c4ccc(C#N)cn4)CC3)O2)cn1	ZINC000931113672	1003900313	/nfs/dbraw/zinc/90/03/13/1003900313.db2.gz	SMNKUEUQEVHZNR-KRWDZBQOSA-N	1	0	350.426	1.712	20	30		FDEDRO
Cn1cc(C2=NC[C@H](C[NH2+]C3(c4ccc(C#N)cc4)CCOCC3)O2)cn1	ZINC000931256106	1003998849	/nfs/dbraw/zinc/99/88/49/1003998849.db2.gz	GWUQRNLPPQTVIP-GOSISDBHSA-N	1	0	365.437	1.733	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](N3CCC([N@@H+]4CCCOCC4)CC3)C2=O)cc1	ZINC000931289543	1004028983	/nfs/dbraw/zinc/02/89/83/1004028983.db2.gz	HPQNBZFCIQERDU-FQEVSTJZSA-N	1	0	368.481	1.850	20	30		FDEDRO
N#Cc1ccc(NC(=O)NCC[NH+]2CCC(O)CC2)cc1Br	ZINC000931378604	1004095588	/nfs/dbraw/zinc/09/55/88/1004095588.db2.gz	BHQMIIFFOCAOFT-UHFFFAOYSA-N	1	0	367.247	1.899	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2cccc(C(=O)NCCOC)c2)CC1	ZINC000931381943	1004098052	/nfs/dbraw/zinc/09/80/52/1004098052.db2.gz	JPNWIQAAVIVCQX-UHFFFAOYSA-N	1	0	358.442	1.282	20	30		FDEDRO
COc1cc(C#N)ccc1C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C	ZINC000931397312	1004112581	/nfs/dbraw/zinc/11/25/81/1004112581.db2.gz	RWNHTZDTMKFBJJ-UHFFFAOYSA-N	1	0	361.442	1.912	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2nc(C(C)(C)C(=O)OC)cs2)CC1	ZINC000931543688	1004252808	/nfs/dbraw/zinc/25/28/08/1004252808.db2.gz	BMWCAPPOUMKRGF-UHFFFAOYSA-N	1	0	364.471	1.813	20	30		FDEDRO
Cn1cc(C2=NC[C@H](CN3CCN(c4ccc(F)cc4C#N)CC3)O2)cn1	ZINC000931547613	1004254510	/nfs/dbraw/zinc/25/45/10/1004254510.db2.gz	CCTFWWNSQRLKGF-QGZVFWFLSA-N	1	0	368.416	1.398	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1nccc2c1CCCC2)C1CC[NH+](C)CC1	ZINC000931565642	1004269594	/nfs/dbraw/zinc/26/95/94/1004269594.db2.gz	VRUQLHYOYGGIRC-UHFFFAOYSA-N	1	0	368.481	1.133	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1	ZINC000931594815	1004298755	/nfs/dbraw/zinc/29/87/55/1004298755.db2.gz	SJMJCRVVCSAJQM-INIZCTEOSA-N	1	0	358.417	1.400	20	30		FDEDRO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1	ZINC000931613118	1004319574	/nfs/dbraw/zinc/31/95/74/1004319574.db2.gz	WLRYUJFUIUHOOL-AWEZNQCLSA-N	1	0	365.437	1.855	20	30		FDEDRO
N#Cc1sc(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)nc1Cl	ZINC000931725279	1004448846	/nfs/dbraw/zinc/44/88/46/1004448846.db2.gz	RRSLIYRQRIGOGP-ZJUUUORDSA-N	1	0	355.851	1.731	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H]([C@]2(C)COC(=O)N2)C1	ZINC000932029681	1004718499	/nfs/dbraw/zinc/71/84/99/1004718499.db2.gz	CFULBGGADZJPCD-RKVPGOIHSA-N	1	0	362.474	1.928	20	30		FDEDRO
C[C@]1(C2CC[NH+](C[C@H](O)CC3(C#N)CCOCC3)CC2)COC(=O)N1	ZINC000932102871	1004771681	/nfs/dbraw/zinc/77/16/81/1004771681.db2.gz	PRGBVIJNTUYHQV-NVXWUHKLSA-N	1	0	351.447	1.268	20	30		FDEDRO
COc1ccc(N2CC[NH+](C[C@@H](O)CN3CCC[C@@H](C#N)C3)CC2)cc1	ZINC000932153678	1004797579	/nfs/dbraw/zinc/79/75/79/1004797579.db2.gz	QKXVRIGFPUSELX-PKOBYXMFSA-N	1	0	358.486	1.414	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH+]1CCC(Cc2nc(-c3ccc(F)cn3)no2)CC1	ZINC000932176360	1004810430	/nfs/dbraw/zinc/81/04/30/1004810430.db2.gz	ZFKYYMURFOXHRQ-ZDUSSCGKSA-N	1	0	371.416	1.663	20	30		FDEDRO
Cc1nc(CC2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)no1	ZINC000932246869	1004851632	/nfs/dbraw/zinc/85/16/32/1004851632.db2.gz	UHHFYXFPOAEVJC-QGZVFWFLSA-N	1	0	356.426	1.944	20	30		FDEDRO
COC(C)(C)[C@H](C)[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000932370776	1004928747	/nfs/dbraw/zinc/92/87/47/1004928747.db2.gz	PHWAYXAYWTXDGZ-LSDHHAIUSA-N	1	0	364.515	1.860	20	30		FDEDRO
C#CC[N@@H+](CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(C)C	ZINC000932395080	1004939297	/nfs/dbraw/zinc/93/92/97/1004939297.db2.gz	RQDOUROQTFBRIW-UHFFFAOYSA-N	1	0	366.483	1.430	20	30		FDEDRO
C#CC1(O)CCN(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1	ZINC000932422748	1004950859	/nfs/dbraw/zinc/95/08/59/1004950859.db2.gz	YSFIKSMSAGEASK-IBGZPJMESA-N	1	0	368.481	1.963	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CC[C@H](CCNC(=O)OC(C)(C)C)C1	ZINC000932696149	1005105665	/nfs/dbraw/zinc/10/56/65/1005105665.db2.gz	DRKLDYXSTSZTAR-HNNXBMFYSA-N	1	0	352.479	1.985	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH+]1CCC(OC2CN(C(=O)OC(C)(C)C)C2)CC1	ZINC000932797105	1005183990	/nfs/dbraw/zinc/18/39/90/1005183990.db2.gz	BWQUGNDIIAOBKV-CQSZACIVSA-N	1	0	367.490	1.777	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[NH+]1CCC(O)(C2CCC2)CC1	ZINC000932814360	1005194017	/nfs/dbraw/zinc/19/40/17/1005194017.db2.gz	UWVBBWMZBIAULW-UHFFFAOYSA-N	1	0	352.434	1.913	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(CO)(C(F)(F)F)CC1	ZINC000932831536	1005203741	/nfs/dbraw/zinc/20/37/41/1005203741.db2.gz	PNLIMHCYRHAMMR-CQSZACIVSA-N	1	0	358.360	1.935	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1	ZINC000932949810	1005268099	/nfs/dbraw/zinc/26/80/99/1005268099.db2.gz	DMVISAIYDJHWHZ-ZIAGYGMSSA-N	1	0	371.528	1.262	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)NN2C(=O)N[C@](CC)(c3ccccc3)C2=O)CCC1	ZINC000933298265	1005535302	/nfs/dbraw/zinc/53/53/02/1005535302.db2.gz	CMLCWOIKSXVVJA-HXUWFJFHSA-N	1	0	368.437	1.411	20	30		FDEDRO
C#Cc1ccc(NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c(Cl)c1	ZINC000933356856	1005545550	/nfs/dbraw/zinc/54/55/50/1005545550.db2.gz	SIIRQHAVAGJDOQ-UHFFFAOYSA-N	1	0	350.850	1.805	20	30		FDEDRO
COc1ccc(C[C@](C)(CO)[NH2+]C[C@H](O)COc2ccccc2C#N)cc1	ZINC000933427209	1005556020	/nfs/dbraw/zinc/55/60/20/1005556020.db2.gz	DIZMPTSMFHFQNU-GHTZIAJQSA-N	1	0	370.449	1.890	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH+]1CCC(c2ccc(S(N)(=O)=O)cc2)CC1	ZINC000933556612	1005579348	/nfs/dbraw/zinc/57/93/48/1005579348.db2.gz	ZZXIOMCBNPSOHQ-CYBMUJFWSA-N	1	0	351.472	1.204	20	30		FDEDRO
O=C(CC[NH+]1CCC2(CC1)CC(=O)C=CO2)NCC(=O)c1ccccc1	ZINC000933649330	1005598460	/nfs/dbraw/zinc/59/84/60/1005598460.db2.gz	ZGCZTBWQCZGSFX-UHFFFAOYSA-N	1	0	356.422	1.713	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)C[NH2+]C1(C(=O)N2CCOCC2)CCCCC1	ZINC000934060130	1005683995	/nfs/dbraw/zinc/68/39/95/1005683995.db2.gz	JWODQBSBFXOLIA-SFHVURJKSA-N	1	0	364.490	1.192	20	30		FDEDRO
C=CC[C@@H]1CC[N@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000934466799	1005749309	/nfs/dbraw/zinc/74/93/09/1005749309.db2.gz	NIAOCDNTZQYJML-OAHLLOKOSA-N	1	0	351.472	1.033	20	30		FDEDRO
C[NH+]=C(N[C@@H]1C[C@](C)(OC)C1(C)C)N1CCN(C(=O)c2ccco2)CC1	ZINC000089158685	1006030670	/nfs/dbraw/zinc/03/06/70/1006030670.db2.gz	QOUVZORRRRWUHO-BEFAXECRSA-N	1	0	362.474	1.816	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1	ZINC000954277573	1006587534	/nfs/dbraw/zinc/58/75/34/1006587534.db2.gz	YZZQJACHVSPCRU-KSZLIROESA-N	1	0	363.502	1.510	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccn1)C2	ZINC001111172477	1006604764	/nfs/dbraw/zinc/60/47/64/1006604764.db2.gz	DKKXIMVUTWGCJH-OAGGEKHMSA-N	1	0	357.458	1.236	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1	ZINC000954391850	1006679445	/nfs/dbraw/zinc/67/94/45/1006679445.db2.gz	FBUSGRXROQSMNR-BBWFWOEESA-N	1	0	351.491	1.223	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1	ZINC000954393628	1006687449	/nfs/dbraw/zinc/68/74/49/1006687449.db2.gz	AWEJOWJLWBXKIA-IEZWGBDMSA-N	1	0	363.502	1.511	20	30		FDEDRO
O=C(NCC1CC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#Cc1ccc(F)cc1	ZINC001111194847	1006791891	/nfs/dbraw/zinc/79/18/91/1006791891.db2.gz	HUHAZQZHSBGDHD-QRVBRYPASA-N	1	0	369.440	1.425	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1	ZINC000954499539	1006819834	/nfs/dbraw/zinc/81/98/34/1006819834.db2.gz	NHJXWYHXHANTBU-MOPGFXCFSA-N	1	0	371.481	1.622	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1	ZINC000778990540	1007108980	/nfs/dbraw/zinc/10/89/80/1007108980.db2.gz	SBRFDOPTCCAFDI-LSDHHAIUSA-N	1	0	352.479	1.984	20	30		FDEDRO
N#Cc1cccc(NC(=O)N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1	ZINC001202782530	1007134241	/nfs/dbraw/zinc/13/42/41/1007134241.db2.gz	GMJMNYCFWCFSQD-SJORKVTESA-N	1	0	364.409	1.718	20	30		FDEDRO
C=CC[C@@H]1CCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1	ZINC000641841805	1007191170	/nfs/dbraw/zinc/19/11/70/1007191170.db2.gz	XKEVCUVPXDUYMH-QZTJIDSGSA-N	1	0	350.507	1.391	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000955365530	1007389542	/nfs/dbraw/zinc/38/95/42/1007389542.db2.gz	RMCLCVGQRQUIGJ-SJORKVTESA-N	1	0	354.410	1.208	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3ccoc3C)C[C@H]2C)CC1	ZINC000947418339	1007572250	/nfs/dbraw/zinc/57/22/50/1007572250.db2.gz	INEPUIMCGLSHQT-RDTXWAMCSA-N	1	0	357.454	1.510	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1	ZINC000956500860	1008183493	/nfs/dbraw/zinc/18/34/93/1008183493.db2.gz	KDIIOSPVRIQLDL-BBWFWOEESA-N	1	0	363.502	1.559	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3CCC[N@H+]3CCC)C2)nc1	ZINC000957457290	1008308733	/nfs/dbraw/zinc/30/87/33/1008308733.db2.gz	NXXDXYBYIWCEEE-ATZDWAIDSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@]34CC[N@H+](C3)CCC4)C2)nc1	ZINC000957458060	1008309928	/nfs/dbraw/zinc/30/99/28/1008309928.db2.gz	KHEFEJADGXVCHM-FPDPHYFHSA-N	1	0	366.465	1.126	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CCCN2CCN(c3ccccc3)CC2)CC1	ZINC000795880780	1008313406	/nfs/dbraw/zinc/31/34/06/1008313406.db2.gz	UHNFQZSOKJMABF-UHFFFAOYSA-N	1	0	368.525	1.660	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C	ZINC000949947950	1008550983	/nfs/dbraw/zinc/55/09/83/1008550983.db2.gz	UVUAWXZOCCHFEI-TWMKSMIVSA-N	1	0	363.502	1.415	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C	ZINC000950385805	1009110789	/nfs/dbraw/zinc/11/07/89/1009110789.db2.gz	AVWFNUAKYAJMQO-OXQOHEQNSA-N	1	0	367.493	1.658	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2oc(C)cc2C)C1	ZINC000950648603	1009468705	/nfs/dbraw/zinc/46/87/05/1009468705.db2.gz	TUKPGTHZQSIGRY-OIISXLGYSA-N	1	0	357.454	1.571	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1ccc2cc(OC)ccc2c1	ZINC000303781965	1009581574	/nfs/dbraw/zinc/58/15/74/1009581574.db2.gz	MTYANNAWANRWKX-UHFFFAOYSA-N	1	0	356.470	1.846	20	30		FDEDRO
C[C@H]1CCCN(C(=[NH2+])NCCCN2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000303866448	1009643132	/nfs/dbraw/zinc/64/31/32/1009643132.db2.gz	CKFJHCUSIZQHEV-INIZCTEOSA-N	1	0	367.538	1.976	20	30		FDEDRO
[NH2+]=C(NCc1cccc(NC(=O)CCN2CCOCC2)c1)N1CCCCC1	ZINC000303889537	1009676970	/nfs/dbraw/zinc/67/69/70/1009676970.db2.gz	LZNDBWWIUBLZNK-UHFFFAOYSA-N	1	0	373.501	1.648	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NCCNC(=O)Cc2cccc(F)c2)cc1OC	ZINC000303985549	1009793064	/nfs/dbraw/zinc/79/30/64/1009793064.db2.gz	SYYNBPQWWBTTGB-UHFFFAOYSA-N	1	0	374.416	1.928	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cn3cc(Br)ncc3n2)CC1	ZINC000779536270	1009877551	/nfs/dbraw/zinc/87/75/51/1009877551.db2.gz	LFAHPMOWNRDYRB-UHFFFAOYSA-N	1	0	362.231	1.776	20	30		FDEDRO
C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1	ZINC000960315356	1009969320	/nfs/dbraw/zinc/96/93/20/1009969320.db2.gz	WLKDEWMVJHZYRK-VBSBHUPXSA-N	1	0	366.465	1.846	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C	ZINC000950978473	1010195307	/nfs/dbraw/zinc/19/53/07/1010195307.db2.gz	CFQORSYNMTVTDU-JFIYKMOQSA-N	1	0	358.486	1.735	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3[nH]c(C)cc3C)C[C@H]2C)CC1	ZINC000950995183	1010263451	/nfs/dbraw/zinc/26/34/51/1010263451.db2.gz	ZBUOOHLKQNUWFZ-CRAIPNDOSA-N	1	0	370.497	1.553	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C	ZINC000959654879	1010366607	/nfs/dbraw/zinc/36/66/07/1010366607.db2.gz	KLPAJFAMBNVCGB-SQGPQFPESA-N	1	0	367.493	1.515	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1	ZINC000951078578	1010428222	/nfs/dbraw/zinc/42/82/22/1010428222.db2.gz	CQBDCRDBRMCOGQ-KSZLIROESA-N	1	0	363.502	1.561	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@H]3OCCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]3C2)CC1	ZINC000960662027	1010560797	/nfs/dbraw/zinc/56/07/97/1010560797.db2.gz	HAKNKWCVJOOXOF-OKZBNKHCSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000959681020	1010576449	/nfs/dbraw/zinc/57/64/49/1010576449.db2.gz	AAKIWZXLWSZFIY-PILAGYSTSA-N	1	0	368.437	1.502	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCNC(=O)c1ccco1)C2	ZINC001111368207	1010773905	/nfs/dbraw/zinc/77/39/05/1010773905.db2.gz	QPIXUIXTPQROOU-OAGGEKHMSA-N	1	0	361.442	1.324	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ccc(C(F)(F)F)n1)C2	ZINC001111369527	1010796518	/nfs/dbraw/zinc/79/65/18/1010796518.db2.gz	DDNALSQCVKKHOH-MCIONIFRSA-N	1	0	372.391	1.826	20	30		FDEDRO
C=C(C)CC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1	ZINC000951635893	1010988824	/nfs/dbraw/zinc/98/88/24/1010988824.db2.gz	NIRLLNIGKLZTDM-PKOBYXMFSA-N	1	0	356.470	1.711	20	30		FDEDRO
CC(N=Nc1nc2[nH][nH]cc-2c(=O)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000779775839	1011001431	/nfs/dbraw/zinc/00/14/31/1011001431.db2.gz	IKRXYWCRALSQCS-AWEZNQCLSA-N	1	0	351.414	1.742	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC000951957986	1011147765	/nfs/dbraw/zinc/14/77/65/1011147765.db2.gz	OANRWRREEVJOGX-FHLIZLRMSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1	ZINC000952037135	1011170538	/nfs/dbraw/zinc/17/05/38/1011170538.db2.gz	VRZDTNCQJVYNHX-BBWFWOEESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1	ZINC000952065264	1011199597	/nfs/dbraw/zinc/19/95/97/1011199597.db2.gz	WSPQKEHRDPSMIV-ZACQAIPSSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1c[nH+]ccc1N(C)C	ZINC000952174875	1011372375	/nfs/dbraw/zinc/37/23/75/1011372375.db2.gz	VSDQXHOLYHSHMM-CPUCHLNUSA-N	1	0	358.442	1.069	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cccc(C[NH+](C)C)c1	ZINC000952177647	1011389156	/nfs/dbraw/zinc/38/91/56/1011389156.db2.gz	IVAJZFCXQHFSMT-QRVBRYPASA-N	1	0	371.481	1.670	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH+]2CCC([C@H](O)c3ccccc3C)CC2)CC1	ZINC000796420398	1011516663	/nfs/dbraw/zinc/51/66/63/1011516663.db2.gz	UKSLQRIOEBEGKB-QFIPXVFZSA-N	1	0	369.509	1.518	20	30		FDEDRO
C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCN1C(=O)[C@H]1CC[C@@H](C(N)=O)C1	ZINC000960876449	1011596796	/nfs/dbraw/zinc/59/67/96/1011596796.db2.gz	MZVZOLNAAUVFIR-QYZOEREBSA-N	1	0	368.481	1.883	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@@H](O)C1	ZINC000963017393	1011758997	/nfs/dbraw/zinc/75/89/97/1011758997.db2.gz	BSHKNUJTLJTKET-OAGGEKHMSA-N	1	0	351.491	1.151	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC000963150851	1011918675	/nfs/dbraw/zinc/91/86/75/1011918675.db2.gz	GPVCHMUSWQUVAO-UWIFEVILSA-N	1	0	369.469	1.432	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@H]2CCN3C(=O)C#CC2CC2)CC[N@@H+]1C	ZINC000963160170	1011941527	/nfs/dbraw/zinc/94/15/27/1011941527.db2.gz	YRIIZVQPYJUATH-ZSYWTGECSA-N	1	0	357.498	1.722	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c([nH]c1=O)CCC3)C2	ZINC001111408369	1012200588	/nfs/dbraw/zinc/20/05/88/1012200588.db2.gz	VGTLELLNXCCMOW-OLMNPRSZSA-N	1	0	357.454	1.814	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(c3cncc(C#N)n3)CC2)CC[N@@H+]1C	ZINC001066797782	1012441367	/nfs/dbraw/zinc/44/13/67/1012441367.db2.gz	KWTMHNPYONHETN-HYVNUMGLSA-N	1	0	356.474	1.554	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)nc3cc(C)nn31)C2	ZINC001111418560	1012472244	/nfs/dbraw/zinc/47/22/44/1012472244.db2.gz	GMVNECNSVKDGDC-ZACQAIPSSA-N	1	0	369.469	1.884	20	30		FDEDRO
C=CCN1CC[C@H](N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)C1=O	ZINC000649751113	1012519211	/nfs/dbraw/zinc/51/92/11/1012519211.db2.gz	DWYMRWULONQNLA-XUVXKRRUSA-N	1	0	355.482	1.749	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@H]3C[C@@H]([NH+]4CCCC4)C3)cc2C1=O	ZINC000636093543	1012728885	/nfs/dbraw/zinc/72/88/85/1012728885.db2.gz	YDYVMHZJOJFQDG-GASCZTMLSA-N	1	0	353.422	1.825	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC[N@@H+]1C	ZINC000953978259	1013015334	/nfs/dbraw/zinc/01/53/34/1013015334.db2.gz	KYYXXEUDDGAJPO-CZUORRHYSA-N	1	0	357.458	1.290	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)CC2)CC[N@@H+]1C	ZINC000963972417	1013033193	/nfs/dbraw/zinc/03/31/93/1013033193.db2.gz	PYCXGNOWFOCPLO-KCYZZUKISA-N	1	0	371.485	1.631	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1	ZINC000953982372	1013035287	/nfs/dbraw/zinc/03/52/87/1013035287.db2.gz	KSXOIQHTHUJQID-JQHSSLGASA-N	1	0	363.502	1.369	20	30		FDEDRO
C#CCCOc1ccc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)cc1	ZINC000796509562	1017245190	/nfs/dbraw/zinc/24/51/90/1017245190.db2.gz	IHNIHPVBOWMGMY-KRWDZBQOSA-N	1	0	350.484	1.992	20	30		FDEDRO
CC[C@](C)(C#N)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1	ZINC000506773571	538905899	/nfs/dbraw/zinc/90/58/99/538905899.db2.gz	QZUWTVXBBVBCOA-LJQANCHMSA-N	1	0	350.507	1.869	20	30		FDEDRO
COCCN1CCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1=O	ZINC000190802149	178024553	/nfs/dbraw/zinc/02/45/53/178024553.db2.gz	GSBBXDRUVKFEFO-UHFFFAOYSA-N	1	0	367.453	1.639	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C	ZINC000190833238	178026358	/nfs/dbraw/zinc/02/63/58/178026358.db2.gz	IZFAXGKUOQDTRH-BBRMVZONSA-N	1	0	358.442	1.694	20	30		FDEDRO
Cn1cc(CN2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)cc1C#N	ZINC000191471073	178057502	/nfs/dbraw/zinc/05/75/02/178057502.db2.gz	IPYUWKYLMOZRHL-KRWDZBQOSA-N	1	0	350.488	1.723	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000193034530	178143274	/nfs/dbraw/zinc/14/32/74/178143274.db2.gz	JYQPYZLYZPWHQY-OAHLLOKOSA-N	1	0	355.442	1.526	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(c3ccnn3CCO)CC2)cc1	ZINC000195508286	178268052	/nfs/dbraw/zinc/26/80/52/178268052.db2.gz	ROEJBXVXRRUQDN-GOSISDBHSA-N	1	0	370.453	1.366	20	30		FDEDRO
C[C@@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)C[NH+]1CCN(C)CC1	ZINC000512315463	538971517	/nfs/dbraw/zinc/97/15/17/538971517.db2.gz	QSLWZQIZCSJJHR-HNNXBMFYSA-N	1	0	358.461	1.729	20	30		FDEDRO
CO[C@H](C)C[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000513261785	538991112	/nfs/dbraw/zinc/99/11/12/538991112.db2.gz	PFWOFSXRCMCVIX-CABCVRRESA-N	1	0	350.488	1.424	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)cc1C#N	ZINC000517395149	539364299	/nfs/dbraw/zinc/36/42/99/539364299.db2.gz	CDNXGDAJSOAUNW-DLBZAZTESA-N	1	0	360.414	1.516	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ncc1C#N	ZINC000517586059	539373606	/nfs/dbraw/zinc/37/36/06/539373606.db2.gz	ZOCQAGRERYLZJZ-PBHICJAKSA-N	1	0	367.453	1.676	20	30		FDEDRO
Cc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1S(N)(=O)=O	ZINC000267944485	674040040	/nfs/dbraw/zinc/04/00/40/674040040.db2.gz	RKACCMKOCBVJGR-UHFFFAOYSA-N	1	0	367.475	1.342	20	30		FDEDRO
CCN1CC[NH+](CCCCNC(=O)c2c(F)cc(C#N)cc2F)CC1	ZINC000268013443	674056754	/nfs/dbraw/zinc/05/67/54/674056754.db2.gz	ABYWLYPYWCPEPZ-UHFFFAOYSA-N	1	0	350.413	1.984	20	30		FDEDRO
C[C@@H]([NH2+]C(C)(C)CNc1c(C#N)c(=O)n(C)c(=O)n1C)c1ccccc1	ZINC000264341363	179083200	/nfs/dbraw/zinc/08/32/00/179083200.db2.gz	VMMXDKIAGRZKBE-CYBMUJFWSA-N	1	0	355.442	1.497	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000264381636	179092857	/nfs/dbraw/zinc/09/28/57/179092857.db2.gz	FMXDVAAUJSZFCN-QGZVFWFLSA-N	1	0	362.499	1.349	20	30		FDEDRO
COC(=O)[C@@H]1CC12CC[NH+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)CC2	ZINC000265055211	179276400	/nfs/dbraw/zinc/27/64/00/179276400.db2.gz	MDPCPKBKJBAUJS-IRXDYDNUSA-N	1	0	353.422	1.939	20	30		FDEDRO
CC[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N	ZINC000265349226	179348220	/nfs/dbraw/zinc/34/82/20/179348220.db2.gz	BHNBJXHVZBSMCR-UHFFFAOYSA-N	1	0	367.409	1.752	20	30		FDEDRO
CCCS(=O)(=O)Nc1ccc(C(=O)NC2(C#N)CC[NH+](C)CC2)cc1	ZINC000524686738	539657054	/nfs/dbraw/zinc/65/70/54/539657054.db2.gz	IARKKIJLBOYALF-UHFFFAOYSA-N	1	0	364.471	1.556	20	30		FDEDRO
CN(C1CC[NH+](CCCOc2cccc(C#N)c2)CC1)S(C)(=O)=O	ZINC000268697459	180143582	/nfs/dbraw/zinc/14/35/82/180143582.db2.gz	UBXMPTHIAWUHKM-UHFFFAOYSA-N	1	0	351.472	1.683	20	30		FDEDRO
COC(=O)Cn1cc(CC[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)nn1	ZINC000269489815	180314955	/nfs/dbraw/zinc/31/49/55/180314955.db2.gz	SAXPXBRKUCVKHV-UHFFFAOYSA-N	1	0	369.425	1.409	20	30		FDEDRO
CCOC(=O)CNC(=O)C1CC[NH+](Cc2ccc(OC)c(C#N)c2)CC1	ZINC000269686840	180361190	/nfs/dbraw/zinc/36/11/90/180361190.db2.gz	GQQPDUKLQRAGMR-UHFFFAOYSA-N	1	0	359.426	1.458	20	30		FDEDRO
CCOC(=O)Nc1ccc(NC(=O)C(=O)NC2CC[NH+](C)CC2)cc1C#N	ZINC000269781234	180388319	/nfs/dbraw/zinc/38/83/19/180388319.db2.gz	BOFFZJSQAOIHJR-UHFFFAOYSA-N	1	0	373.413	1.276	20	30		FDEDRO
COC[C@@]1([NH2+]C[C@@H]2CNc3c(C#N)cnn3C2)COc2ccccc2C1	ZINC000529667755	539839862	/nfs/dbraw/zinc/83/98/62/539839862.db2.gz	DKGQPWOVGIVHTK-IFXJQAMLSA-N	1	0	353.426	1.406	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000530233692	539916294	/nfs/dbraw/zinc/91/62/94/539916294.db2.gz	GGSFESUIZUPBCU-QZTJIDSGSA-N	1	0	372.469	1.568	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)NCC[NH+]3CCC(C)CC3)CC2)c1C#N	ZINC000530407883	539963801	/nfs/dbraw/zinc/96/38/01/539963801.db2.gz	PAUHOYFVHJVJNE-UHFFFAOYSA-N	1	0	373.505	1.164	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1	ZINC000530514248	539989789	/nfs/dbraw/zinc/98/97/89/539989789.db2.gz	DWJOVFCGDIEYDU-MRXNPFEDSA-N	1	0	373.505	1.306	20	30		FDEDRO
N#Cc1ccc(Cl)cc1NC(=O)CN1CC[C@H]2[C@@H]1CCC[N@H+]2CCO	ZINC000934262301	781932127	/nfs/dbraw/zinc/93/21/27/781932127.db2.gz	WGJQBBKXZLYIDF-IRXDYDNUSA-N	1	0	362.861	1.681	20	30		FDEDRO
CN(CC[N@H+](C)C1CC1)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000274552499	181120020	/nfs/dbraw/zinc/12/00/20/181120020.db2.gz	XWGMYWKSVXMFSF-SFHVURJKSA-N	1	0	369.469	1.789	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCCC2)n(CCC#N)n1	ZINC000533319906	540231518	/nfs/dbraw/zinc/23/15/18/540231518.db2.gz	XFFYHUYIUJHAJH-OAHLLOKOSA-N	1	0	360.462	1.280	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)n(CCC#N)n1	ZINC000533326896	540233014	/nfs/dbraw/zinc/23/30/14/540233014.db2.gz	VIZKMKUZGNFJHI-AWEZNQCLSA-N	1	0	362.478	1.526	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@H]4COCC[C@@H]43)CC2)o1	ZINC000533345946	540236606	/nfs/dbraw/zinc/23/66/06/540236606.db2.gz	IAIWLYPGDLKJDA-RDJZCZTQSA-N	1	0	373.457	1.004	20	30		FDEDRO
C[C@H](C#N)CN(CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CC1	ZINC000533596259	540270019	/nfs/dbraw/zinc/27/00/19/540270019.db2.gz	GMQBJHXKBVWYSF-QGZVFWFLSA-N	1	0	362.518	1.762	20	30		FDEDRO
COC(=O)CC1([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCOCC1	ZINC000533606205	540271207	/nfs/dbraw/zinc/27/12/07/540271207.db2.gz	JTOUXSSHYWZMKT-UHFFFAOYSA-N	1	0	366.439	1.034	20	30		FDEDRO
C[NH+]1CCN(Cc2cccc(NC(=O)CNc3ccc(C#N)cn3)c2)CC1	ZINC000536549716	540615443	/nfs/dbraw/zinc/61/54/43/540615443.db2.gz	DFJJHPXYRSFSNR-UHFFFAOYSA-N	1	0	364.453	1.751	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)CC1	ZINC000537037940	540676724	/nfs/dbraw/zinc/67/67/24/540676724.db2.gz	JLVFYEHFXVXJOS-OTWHNJEPSA-N	1	0	362.518	1.427	20	30		FDEDRO
CC(C)OC1CC[NH+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1	ZINC000537048268	540677828	/nfs/dbraw/zinc/67/78/28/540677828.db2.gz	XQIZRAATKBYSEV-GOSISDBHSA-N	1	0	350.507	1.568	20	30		FDEDRO
C[C@H]([NH2+]CCN1CCN(c2ncccn2)CC1)c1ccc(C#N)c(F)c1	ZINC000537406164	540727096	/nfs/dbraw/zinc/72/70/96/540727096.db2.gz	BSRCXISBPPFAAY-HNNXBMFYSA-N	1	0	354.433	1.960	20	30		FDEDRO
N#CC1(NC(=O)CN2CCCNC2=O)CC[NH+](Cc2ccccc2)CC1	ZINC000537597172	540748631	/nfs/dbraw/zinc/74/86/31/540748631.db2.gz	AVICKUJKOLMCRV-UHFFFAOYSA-N	1	0	355.442	1.076	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)CC1	ZINC000537902919	540789318	/nfs/dbraw/zinc/78/93/18/540789318.db2.gz	XWKYGONMYQEIJY-UHFFFAOYSA-N	1	0	361.833	1.587	20	30		FDEDRO
C=C(CC)C[NH+]1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1	ZINC000538016566	540798532	/nfs/dbraw/zinc/79/85/32/540798532.db2.gz	FKJJYEAHYATWIJ-UHFFFAOYSA-N	1	0	351.516	1.857	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@]3(CCCOC3)C2)CC1	ZINC000538147612	540816967	/nfs/dbraw/zinc/81/69/67/540816967.db2.gz	NYOHBVOFRRBMAM-QUCCMNQESA-N	1	0	362.518	1.571	20	30		FDEDRO
C[C@@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1	ZINC000269044539	674106006	/nfs/dbraw/zinc/10/60/06/674106006.db2.gz	LXDBFNMWNOAEBF-WGBIJJAVSA-N	1	0	352.460	1.565	20	30		FDEDRO
CN(C)c1cnc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cn1	ZINC000538829671	540897303	/nfs/dbraw/zinc/89/73/03/540897303.db2.gz	KKGNDXRITCEGCZ-UHFFFAOYSA-N	1	0	352.442	1.618	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)NC[C@H](c1cccs1)N1CCN(C)CC1	ZINC000539602670	540976571	/nfs/dbraw/zinc/97/65/71/540976571.db2.gz	MROBFGLEAFEZJC-HUUCEWRRSA-N	1	0	352.504	1.273	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(Cl)c(C#N)c1	ZINC000539785412	540992878	/nfs/dbraw/zinc/99/28/78/540992878.db2.gz	IFBUBOAVNGLVCY-INIZCTEOSA-N	1	0	362.861	1.884	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OCCO)c(OC)c1	ZINC000540375915	541051833	/nfs/dbraw/zinc/05/18/33/541051833.db2.gz	MFNJMLOBQZIPIE-OLZOCXBDSA-N	1	0	365.430	1.117	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)n2)c(Cl)c1	ZINC000541161689	541160996	/nfs/dbraw/zinc/16/09/96/541160996.db2.gz	RXGFYFMWTAWXMT-INIZCTEOSA-N	1	0	370.844	1.726	20	30		FDEDRO
C=C(C)COCCNC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1	ZINC000541810988	541269740	/nfs/dbraw/zinc/26/97/40/541269740.db2.gz	WFQVUXNKTGBBJS-UHFFFAOYSA-N	1	0	352.523	1.638	20	30		FDEDRO
COC(=O)c1cccc(CN2CCC(O)(C[NH+]3CCOCC3)CC2)c1C#N	ZINC000541853534	541281561	/nfs/dbraw/zinc/28/15/61/541281561.db2.gz	LUQGZFRPNPJVGZ-UHFFFAOYSA-N	1	0	373.453	1.004	20	30		FDEDRO
C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1cccc(S(N)(=O)=O)c1	ZINC000542134464	541345373	/nfs/dbraw/zinc/34/53/73/541345373.db2.gz	GLHHXYQIMXKXMR-CYBMUJFWSA-N	1	0	372.450	1.885	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1	ZINC000542133651	541344428	/nfs/dbraw/zinc/34/44/28/541344428.db2.gz	LDOYNCILYXWRQO-IGCXYCKISA-N	1	0	366.487	1.428	20	30		FDEDRO
CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(C)CCCc1[nH]nc(N)c1C#N	ZINC000542829921	541481225	/nfs/dbraw/zinc/48/12/25/541481225.db2.gz	HOFCKFQNUZFCSH-AWEZNQCLSA-N	1	0	361.494	1.702	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)C2=O)cc1	ZINC000543723252	541645735	/nfs/dbraw/zinc/64/57/35/541645735.db2.gz	DSCXAJMQISPQCR-QAPCUYQASA-N	1	0	367.453	1.590	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(F)c1	ZINC000275898317	181445769	/nfs/dbraw/zinc/44/57/69/181445769.db2.gz	OLMXQIPUNNJAFV-SJORKVTESA-N	1	0	374.416	1.130	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1	ZINC000544882324	541850246	/nfs/dbraw/zinc/85/02/46/541850246.db2.gz	WQRIJEUAPVCGLQ-QZTJIDSGSA-N	1	0	359.470	1.691	20	30		FDEDRO
CS[C@@H]1CN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C[C@H]1[NH+](C)C	ZINC000282724881	182048334	/nfs/dbraw/zinc/04/83/34/182048334.db2.gz	LYYRSMWOIBJELN-IAGOWNOFSA-N	1	0	355.467	1.862	20	30		FDEDRO
CCN(C(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)[C@H](C)c1ccc(C#N)cc1	ZINC000282902893	182074275	/nfs/dbraw/zinc/07/42/75/182074275.db2.gz	CUPYDEAPBONZPZ-ACJLOTCBSA-N	1	0	353.426	1.938	20	30		FDEDRO
C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCc1cccc(C#N)c1	ZINC000283513699	182203172	/nfs/dbraw/zinc/20/31/72/182203172.db2.gz	BVQVAHGWOBGWJQ-OWCLPIDISA-N	1	0	356.470	1.657	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC000545295002	541927757	/nfs/dbraw/zinc/92/77/57/541927757.db2.gz	IDZVDKFJFKPTJA-AWEZNQCLSA-N	1	0	359.430	1.276	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1)c1ccc(C#N)cc1	ZINC000283916189	182314864	/nfs/dbraw/zinc/31/48/64/182314864.db2.gz	ISGRVKVXMDDNOK-HNNXBMFYSA-N	1	0	356.470	1.926	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1ccc(C#N)cc1	ZINC000283946162	182325827	/nfs/dbraw/zinc/32/58/27/182325827.db2.gz	KGNZAWVYHJKXLV-QAPCUYQASA-N	1	0	354.454	1.822	20	30		FDEDRO
CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)CC2(C#N)CCCC2)CC1	ZINC000545361502	541946941	/nfs/dbraw/zinc/94/69/41/541946941.db2.gz	CVUOOFNSFWALLZ-MRXNPFEDSA-N	1	0	356.536	1.263	20	30		FDEDRO
C[NH+](C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)CC1(C#N)CCCC1	ZINC000545361625	541947146	/nfs/dbraw/zinc/94/71/46/541947146.db2.gz	GDCUCRYRLNJXEG-UHFFFAOYSA-N	1	0	373.519	1.605	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1	ZINC000284172564	182388333	/nfs/dbraw/zinc/38/83/33/182388333.db2.gz	YWKUASRHSJGVJB-OAGGEKHMSA-N	1	0	356.470	1.972	20	30		FDEDRO
CCC[NH+]1CCC(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1	ZINC000545514496	541993265	/nfs/dbraw/zinc/99/32/65/541993265.db2.gz	ITTUAIQOMJIWGG-UHFFFAOYSA-N	1	0	370.501	1.907	20	30		FDEDRO
CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(S(=O)(=O)Cc2cccc(C#N)c2)C1	ZINC000286274124	183029294	/nfs/dbraw/zinc/02/92/94/183029294.db2.gz	GPEVFXAPSPOWJG-ROUUACIJSA-N	1	0	363.483	1.573	20	30		FDEDRO
C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000286407463	183058930	/nfs/dbraw/zinc/05/89/30/183058930.db2.gz	FDDDJYXUSIBJOU-HNNXBMFYSA-N	1	0	372.469	1.384	20	30		FDEDRO
COc1cc(OC)c2ncc(C#N)c(N3CC[NH+](C[C@@H](C)O)CC3)c2c1	ZINC000286502874	183083137	/nfs/dbraw/zinc/08/31/37/183083137.db2.gz	APCJJUIFKNBJLP-CYBMUJFWSA-N	1	0	356.426	1.626	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1	ZINC000546711998	542206775	/nfs/dbraw/zinc/20/67/75/542206775.db2.gz	RTTMPRZVZVAANX-KGLIPLIRSA-N	1	0	358.442	1.742	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1	ZINC000287474387	183300982	/nfs/dbraw/zinc/30/09/82/183300982.db2.gz	SPKHPJWGQUDHLX-OAHLLOKOSA-N	1	0	358.446	1.655	20	30		FDEDRO
C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000269925174	674135878	/nfs/dbraw/zinc/13/58/78/674135878.db2.gz	QPOCQOAMGINDKP-QGZVFWFLSA-N	1	0	364.471	1.060	20	30		FDEDRO
Cc1oc(NC(=O)[C@H](C)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c(C#N)c1C	ZINC000295356421	184062130	/nfs/dbraw/zinc/06/21/30/184062130.db2.gz	OEBADFLUNVCEDU-CMPLNLGQSA-N	1	0	359.386	1.651	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCN(c2ncc(Br)cc2C#N)CC1	ZINC000297587980	184291846	/nfs/dbraw/zinc/29/18/46/184291846.db2.gz	TYCUCNKQQAHEHH-UHFFFAOYSA-N	1	0	366.263	1.316	20	30		FDEDRO
CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)C(=O)N(C)CC(=O)NC1CC1	ZINC000298001454	184372789	/nfs/dbraw/zinc/37/27/89/184372789.db2.gz	XXRUCQFMLBRVRI-HNNXBMFYSA-N	1	0	356.470	1.896	20	30		FDEDRO
C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1	ZINC000547274387	542294768	/nfs/dbraw/zinc/29/47/68/542294768.db2.gz	WLZWECLLQIFYNU-IBGZPJMESA-N	1	0	352.394	1.542	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21	ZINC000547312213	542309303	/nfs/dbraw/zinc/30/93/03/542309303.db2.gz	CBEVZZLKJMTQGI-CVEARBPZSA-N	1	0	365.441	2.005	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CC[NH+](CC(C)C)CC1	ZINC000547312148	542309839	/nfs/dbraw/zinc/30/98/39/542309839.db2.gz	QFTVZAPYHWWASF-UHFFFAOYSA-N	1	0	367.457	2.253	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc3c2CCN3C(C)=O)CC1	ZINC000547389309	542328030	/nfs/dbraw/zinc/32/80/30/542328030.db2.gz	AGOOZDOMSVLFLD-UHFFFAOYSA-N	1	0	370.453	1.301	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1	ZINC000068222900	221314307	/nfs/dbraw/zinc/31/43/07/221314307.db2.gz	SFLZWXOKCNNTKP-INIZCTEOSA-N	1	0	367.515	1.857	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C/C=C(\C)C=C)C2	ZINC001112511068	781989068	/nfs/dbraw/zinc/98/90/68/781989068.db2.gz	RTLZYDSPDDVCBU-SUGBWBDZSA-N	1	0	357.498	1.865	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000173217253	258293132	/nfs/dbraw/zinc/29/31/32/258293132.db2.gz	MFBCSVWUPJYVPM-OAHLLOKOSA-N	1	0	354.410	1.368	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1	ZINC000173284866	258295185	/nfs/dbraw/zinc/29/51/85/258295185.db2.gz	WWCBHAXJUPOPLE-MJGOQNOKSA-N	1	0	370.497	1.954	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1	ZINC000173284850	258295573	/nfs/dbraw/zinc/29/55/73/258295573.db2.gz	WWCBHAXJUPOPLE-HKUYNNGSSA-N	1	0	370.497	1.954	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCO[C@@H](CC)C1)C(C)C	ZINC000551222736	543254496	/nfs/dbraw/zinc/25/44/96/543254496.db2.gz	UBGLZNUWHJHLDV-DLBZAZTESA-N	1	0	351.491	1.439	20	30		FDEDRO
N#Cc1ccccc1OCC(=O)NCC(=O)NCC[NH+]1CCCCCC1	ZINC000552355706	543455360	/nfs/dbraw/zinc/45/53/60/543455360.db2.gz	CNXZQSVYHKZTGV-UHFFFAOYSA-N	1	0	358.442	1.045	20	30		FDEDRO
C[NH+](C)C[C@@H]1CCCCN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000552450334	543468517	/nfs/dbraw/zinc/46/85/17/543468517.db2.gz	GNUQRBMWFFICTF-KRWDZBQOSA-N	1	0	352.442	1.882	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1	ZINC000552472158	543473638	/nfs/dbraw/zinc/47/36/38/543473638.db2.gz	AHHWYIDTAXRVIU-KRWDZBQOSA-N	1	0	354.454	1.648	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1	ZINC000073350662	172060886	/nfs/dbraw/zinc/06/08/86/172060886.db2.gz	UZDSLNSQTCDCLH-WBVHZDCISA-N	1	0	370.453	1.456	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N1CC[NH+](CC2CCOCC2)CC1	ZINC000083199111	172202378	/nfs/dbraw/zinc/20/23/78/172202378.db2.gz	MWHZHWYDHSMFAQ-IBGZPJMESA-N	1	0	357.454	1.817	20	30		FDEDRO
Cc1nc(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)ccc1C#N	ZINC000089962747	172254158	/nfs/dbraw/zinc/25/41/58/172254158.db2.gz	NOHDJBLRZYNNLG-MSOLQXFVSA-N	1	0	350.422	1.627	20	30		FDEDRO
CC(C)C[C@@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)[NH+](C)C	ZINC000091193414	172276218	/nfs/dbraw/zinc/27/62/18/172276218.db2.gz	QOPHHPBCVMHWSZ-AWEZNQCLSA-N	1	0	362.478	1.541	20	30		FDEDRO
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)n1	ZINC000091218817	172278955	/nfs/dbraw/zinc/27/89/55/172278955.db2.gz	REMPYXAQHMTHMH-AWEZNQCLSA-N	1	0	358.446	1.145	20	30		FDEDRO
C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1	ZINC000091245658	172282201	/nfs/dbraw/zinc/28/22/01/172282201.db2.gz	JHDUMPOFKBVHCK-KBPBESRZSA-N	1	0	360.462	1.437	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC2CC[NH+](CCc3ccncc3)CC2)cc1	ZINC000101578140	172337168	/nfs/dbraw/zinc/33/71/68/172337168.db2.gz	MGJTYLIRIQRDFA-UHFFFAOYSA-N	1	0	370.478	1.939	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000104069755	172374169	/nfs/dbraw/zinc/37/41/69/172374169.db2.gz	NWMVDORFALTIGQ-KBXCAEBGSA-N	1	0	369.469	1.299	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1	ZINC000104749325	172384749	/nfs/dbraw/zinc/38/47/49/172384749.db2.gz	SXZJKHQFCFSHFP-UHFFFAOYSA-N	1	0	358.423	1.473	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1	ZINC000127420729	173075517	/nfs/dbraw/zinc/07/55/17/173075517.db2.gz	NBBQJCGVFOCJKI-QZTJIDSGSA-N	1	0	363.483	1.604	20	30		FDEDRO
C[NH+](C)CC1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1	ZINC000129459617	173140151	/nfs/dbraw/zinc/14/01/51/173140151.db2.gz	LRGKVHGZHZJVLD-UHFFFAOYSA-N	1	0	366.443	1.865	20	30		FDEDRO
COCCC(=O)N1CCC([NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000133316936	173261502	/nfs/dbraw/zinc/26/15/02/173261502.db2.gz	SZOJFIGUGGRCLU-SFHVURJKSA-N	1	0	370.453	1.281	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(F)cc3C#N)C2)CC1	ZINC000151979962	173418343	/nfs/dbraw/zinc/41/83/43/173418343.db2.gz	UGLBHAXPRDEAMN-MRXNPFEDSA-N	1	0	366.462	1.098	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2cc(C#N)cs2)cc1	ZINC000175881174	174034361	/nfs/dbraw/zinc/03/43/61/174034361.db2.gz	UVRHNLJUWIHFFO-UHFFFAOYSA-N	1	0	356.451	1.841	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000180180123	258363465	/nfs/dbraw/zinc/36/34/65/258363465.db2.gz	QRTZSPIDSDTBJL-MRXNPFEDSA-N	1	0	352.486	1.684	20	30		FDEDRO
Cn1cc(C[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)c(-c2ccc(C#N)cc2)n1	ZINC000180340768	258366770	/nfs/dbraw/zinc/36/67/70/258366770.db2.gz	RUGGHIDAHZRXJS-HNNXBMFYSA-N	1	0	373.482	1.330	20	30		FDEDRO
Cn1cc(C[NH2+]CC2CCS(=O)(=O)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000180349050	258367044	/nfs/dbraw/zinc/36/70/44/258367044.db2.gz	CMYHRKJVQHVXKQ-UHFFFAOYSA-N	1	0	358.467	1.873	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC4(CCCC4)C3)CC2)o1	ZINC000173830662	258312767	/nfs/dbraw/zinc/31/27/67/258312767.db2.gz	MBFMXUGRHSEWBB-UHFFFAOYSA-N	1	0	357.458	1.769	20	30		FDEDRO
C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000174007043	258316833	/nfs/dbraw/zinc/31/68/33/258316833.db2.gz	VGLNFZIKLWAZCO-LBPRGKRZSA-N	1	0	354.332	1.678	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000178582546	258329484	/nfs/dbraw/zinc/32/94/84/258329484.db2.gz	IKBYMPVWHLSZOX-QGZVFWFLSA-N	1	0	355.442	1.637	20	30		FDEDRO
Cc1nccc(N2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)n1	ZINC000183777805	258380148	/nfs/dbraw/zinc/38/01/48/258380148.db2.gz	PBPZWOFRURCDLA-UHFFFAOYSA-N	1	0	350.426	1.808	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)C[C@@H]2C1	ZINC000192914699	258392570	/nfs/dbraw/zinc/39/25/70/258392570.db2.gz	BXARBZLQWBTEJS-TXEJJXNPSA-N	1	0	359.373	1.759	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1	ZINC000553397669	543626832	/nfs/dbraw/zinc/62/68/32/543626832.db2.gz	WUINQKRABXJBGD-BBWFWOEESA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCSC(C)(C)CC2)CC1	ZINC000553733497	543688549	/nfs/dbraw/zinc/68/85/49/543688549.db2.gz	RGJYOLPSCBDSNF-UHFFFAOYSA-N	1	0	353.532	1.887	20	30		FDEDRO
C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCC(=O)NCC#N)cc2)C1	ZINC000553776733	543695125	/nfs/dbraw/zinc/69/51/25/543695125.db2.gz	TXKOTDKOBBEAAQ-OAHLLOKOSA-N	1	0	357.458	1.357	20	30		FDEDRO
CN(Cc1ccccc1)C(=O)C[NH2+]C[C@H](O)COc1ccc(C#N)cc1	ZINC000555564545	543975183	/nfs/dbraw/zinc/97/51/83/543975183.db2.gz	PFYBHXLLADIUSX-SFHVURJKSA-N	1	0	353.422	1.546	20	30		FDEDRO
C[NH+](C)CCOC1CCN(C(=O)C(=O)Nc2sccc2C#N)CC1	ZINC000555937712	544059139	/nfs/dbraw/zinc/05/91/39/544059139.db2.gz	GPWFCASSRMHDLE-UHFFFAOYSA-N	1	0	350.444	1.127	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1F	ZINC000556330489	544132845	/nfs/dbraw/zinc/13/28/45/544132845.db2.gz	FWSULFOSSNFARK-HIFRSBDPSA-N	1	0	356.419	1.491	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n(CCC#N)n1	ZINC000556435203	544143544	/nfs/dbraw/zinc/14/35/44/544143544.db2.gz	AMKXFTVKPAOJTO-CQSZACIVSA-N	1	0	372.473	1.377	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)NC[C@@H]3CCC[C@H]([NH3+])C3)CC2)c1C#N	ZINC000557233086	544267076	/nfs/dbraw/zinc/26/70/76/544267076.db2.gz	SCVBWQDOULKTDX-KGLIPLIRSA-N	1	0	362.503	1.672	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCC[N@H+]2CCC)c1	ZINC000557745001	544340619	/nfs/dbraw/zinc/34/06/19/544340619.db2.gz	GPJFSQBRGZNHDD-INIZCTEOSA-N	1	0	365.499	1.755	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2OC(F)F)CC1	ZINC000557756117	544342625	/nfs/dbraw/zinc/34/26/25/544342625.db2.gz	LAPDNFBXKNZHJH-HUUCEWRRSA-N	1	0	373.444	1.810	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[C@@H](SC)C2)CC1	ZINC000557768794	544344107	/nfs/dbraw/zinc/34/41/07/544344107.db2.gz	YPPOMFSVHCDJPB-JKSUJKDBSA-N	1	0	353.532	1.934	20	30		FDEDRO
CC(C)[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)N1CCOCC1	ZINC000558761885	544526593	/nfs/dbraw/zinc/52/65/93/544526593.db2.gz	RHCBRMGRAISOBF-SFHVURJKSA-N	1	0	365.499	1.278	20	30		FDEDRO
CC(=O)c1ccc(C#N)cc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1	ZINC000302089666	259038538	/nfs/dbraw/zinc/03/85/38/259038538.db2.gz	GGOSHXINLIRUKT-LJQANCHMSA-N	1	0	370.497	1.992	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)CC2)cc1	ZINC000328944753	259068270	/nfs/dbraw/zinc/06/82/70/259068270.db2.gz	JJMOCMIEJOHORP-IBGZPJMESA-N	1	0	354.454	1.318	20	30		FDEDRO
CC[N@H+](C)C[C@H]1CCN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)C1	ZINC000329938848	259118660	/nfs/dbraw/zinc/11/86/60/259118660.db2.gz	SRPVOYSDNREWIH-OAHLLOKOSA-N	1	0	359.474	1.871	20	30		FDEDRO
C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000331001535	259172603	/nfs/dbraw/zinc/17/26/03/259172603.db2.gz	OFTVAVWCYWUGSN-WCQYABFASA-N	1	0	352.416	1.427	20	30		FDEDRO
C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNS(=O)(=O)c2cccnc2C#N)C1	ZINC000331191376	259180636	/nfs/dbraw/zinc/18/06/36/259180636.db2.gz	VKJHMJWQIMLXRA-KBPBESRZSA-N	1	0	350.488	1.988	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N1CCC2(CC[NH2+]2)CC1	ZINC000333322870	259334863	/nfs/dbraw/zinc/33/48/63/259334863.db2.gz	UVBAEJDGIMRLCW-UHFFFAOYSA-N	1	0	370.272	1.837	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@@]4(CC[NH2+]C4)C3)C2=O)cc1	ZINC000333579038	259360921	/nfs/dbraw/zinc/36/09/21/259360921.db2.gz	NLBCPZMGBHYJOT-FXAWDEMLSA-N	1	0	367.453	1.054	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21	ZINC000333704852	259372218	/nfs/dbraw/zinc/37/22/18/259372218.db2.gz	RITMSOMYNKSPQY-SKDRFNHKSA-N	1	0	356.245	1.303	20	30		FDEDRO
Cc1cccc(S(=O)(=O)NC2CCC(N3CC[NH2+]CC3)CC2)c1C#N	ZINC000333860820	259388287	/nfs/dbraw/zinc/38/82/87/259388287.db2.gz	PUWMPSSGWSHHMS-UHFFFAOYSA-N	1	0	362.499	1.361	20	30		FDEDRO
COCC[N@H+](C)CCNC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1	ZINC000363171190	259545613	/nfs/dbraw/zinc/54/56/13/259545613.db2.gz	UPJQUOJTLACUBP-KRWDZBQOSA-N	1	0	359.474	1.173	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCCC[C@H]2n2cccn2)nc1	ZINC000367373782	260031866	/nfs/dbraw/zinc/03/18/66/260031866.db2.gz	YBSDPSATEUYINF-JKSUJKDBSA-N	1	0	359.455	1.697	20	30		FDEDRO
CC1CCC([NH+]2CCC(NC(=O)NCCn3cnc(C#N)n3)CC2)CC1	ZINC000367779150	260090336	/nfs/dbraw/zinc/09/03/36/260090336.db2.gz	ZAQHSHRVONAXPG-UHFFFAOYSA-N	1	0	359.478	1.492	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2c3ccccc3CC[C@H]2CO)nc1	ZINC000367986830	260119129	/nfs/dbraw/zinc/11/91/29/260119129.db2.gz	CASIBBSKNRBPQA-QFBILLFUSA-N	1	0	371.462	1.613	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)ccc1C(F)(F)F	ZINC000368322755	260166297	/nfs/dbraw/zinc/16/62/97/260166297.db2.gz	WDHFKPYAYWYRIW-CYBMUJFWSA-N	1	0	359.373	1.997	20	30		FDEDRO
COC(=O)c1cn([C@H]2CCCN(Cc3cc(C#N)ccc3OC)C2)nn1	ZINC000368357656	260171590	/nfs/dbraw/zinc/17/15/90/260171590.db2.gz	MQTZNCLOQNZIPF-HNNXBMFYSA-N	1	0	355.398	1.782	20	30		FDEDRO
N#Cc1ncn(C2CC[NH+](C[C@@H]3CCN(C(=O)c4ccccc4)C3)CC2)n1	ZINC000368476697	260188944	/nfs/dbraw/zinc/18/89/44/260188944.db2.gz	FUAWUPNSSSGSIV-INIZCTEOSA-N	1	0	364.453	1.949	20	30		FDEDRO
N#Cc1ccc(CCC(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1	ZINC000368891524	260256145	/nfs/dbraw/zinc/25/61/45/260256145.db2.gz	GFMOWQTXLBQUCU-GOSISDBHSA-N	1	0	354.454	1.432	20	30		FDEDRO
C[C@H](CO)[N@@H+]1CCCN([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000368972549	260269827	/nfs/dbraw/zinc/26/98/27/260269827.db2.gz	FUAKXNFJJZOCFR-ZIAGYGMSSA-N	1	0	364.877	1.927	20	30		FDEDRO
Cc1ccc(N2CC[C@@H]([NH+]3CCC(n4cnc(C#N)n4)CC3)C2=O)cc1	ZINC000369389273	260354636	/nfs/dbraw/zinc/35/46/36/260354636.db2.gz	NLZRAIRWJJSKJQ-QGZVFWFLSA-N	1	0	350.426	1.901	20	30		FDEDRO
CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1CCC(=O)Nc1ccccc1C#N	ZINC000372273138	260838696	/nfs/dbraw/zinc/83/86/96/260838696.db2.gz	LCBOSNNSHSNTMK-CVEARBPZSA-N	1	0	359.426	1.929	20	30		FDEDRO
CC1(C)C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@]2(CCCOC2)O1	ZINC000373788792	261040827	/nfs/dbraw/zinc/04/08/27/261040827.db2.gz	BRZSAELIYJZFKY-PXNSSMCTSA-N	1	0	360.454	1.958	20	30		FDEDRO
C[C@H]1CN(C(=O)NCCc2cccc(C#N)c2)CCN1C1CC[NH+](C)CC1	ZINC000374250045	261100021	/nfs/dbraw/zinc/10/00/21/261100021.db2.gz	QZHSPJUBVSGDEK-KRWDZBQOSA-N	1	0	369.513	1.911	20	30		FDEDRO
C[C@H](CO)[N@@H+]1CCCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1	ZINC000375501361	261355706	/nfs/dbraw/zinc/35/57/06/261355706.db2.gz	LURYUYAAGGUIOT-CYBMUJFWSA-N	1	0	350.850	1.539	20	30		FDEDRO
Cn1cc(C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)c(-c2ccc(C#N)cc2)n1	ZINC000378495372	262038224	/nfs/dbraw/zinc/03/82/24/262038224.db2.gz	KOIDLAQRVMKWKI-SFHVURJKSA-N	1	0	364.453	1.948	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1=O)c1ccc(C#N)cc1	ZINC000378576996	262048821	/nfs/dbraw/zinc/04/88/21/262048821.db2.gz	IOSLHQSOWCXFJT-VQIMIIECSA-N	1	0	356.470	1.532	20	30		FDEDRO
CN1CC[NH+](CC2(C)CCN(C(=O)c3ccc(C#N)c(O)c3)CC2)CC1	ZINC000408432375	262106862	/nfs/dbraw/zinc/10/68/62/262106862.db2.gz	MXNVWNNMMUYCTQ-UHFFFAOYSA-N	1	0	356.470	1.754	20	30		FDEDRO
C[C@H](C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)n1cnc(C#N)n1	ZINC000409783728	262140090	/nfs/dbraw/zinc/14/00/90/262140090.db2.gz	CACSOKUQSSDXPC-NVXWUHKLSA-N	1	0	352.442	1.834	20	30		FDEDRO
C[C@H](C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)n1cnc(C#N)n1	ZINC000409929520	262146065	/nfs/dbraw/zinc/14/60/65/262146065.db2.gz	KHASXCVBUMVNKJ-OAHLLOKOSA-N	1	0	360.462	1.062	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NC[C@@H](O)c1ccc(Cl)c(F)c1	ZINC000270552276	674226837	/nfs/dbraw/zinc/22/68/37/674226837.db2.gz	GLTABORYCSGBKC-OAHLLOKOSA-N	1	0	358.845	1.139	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1	ZINC000892186622	782043462	/nfs/dbraw/zinc/04/34/62/782043462.db2.gz	AHXAZMFIBLJQNI-KZNAEPCWSA-N	1	0	353.470	1.778	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087202266	782050935	/nfs/dbraw/zinc/05/09/35/782050935.db2.gz	XZXFBSVCWUVDON-AYOQOUSVSA-N	1	0	368.481	1.753	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@H]21	ZINC000972089497	782056638	/nfs/dbraw/zinc/05/66/38/782056638.db2.gz	YPGFFSIWUUIJDN-QWFCFKBJSA-N	1	0	355.482	1.334	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCCCN2C(=O)C(C)C)c1C#N	ZINC000535510298	490495911	/nfs/dbraw/zinc/49/59/11/490495911.db2.gz	HWBAVTVYEQPHIX-OAHLLOKOSA-N	1	0	360.462	1.409	20	30		FDEDRO
CN1CC[NH+](CC2(C)CCN(C(=O)CNc3ccc(C#N)cn3)CC2)CC1	ZINC000544583573	490972594	/nfs/dbraw/zinc/97/25/94/490972594.db2.gz	KGRMRYNDPBEOKU-UHFFFAOYSA-N	1	0	370.501	1.241	20	30		FDEDRO
CC1([NH+]2CCCC2)CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1	ZINC000602058927	491959091	/nfs/dbraw/zinc/95/90/91/491959091.db2.gz	SFQUWASZSOGGHL-UHFFFAOYSA-N	1	0	358.446	1.212	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)CNC(=O)c3ccco3)CC2)cc1	ZINC000023451128	518953338	/nfs/dbraw/zinc/95/33/38/518953338.db2.gz	LJZFAAFPQHITEI-UHFFFAOYSA-N	1	0	366.421	1.616	20	30		FDEDRO
CC(C)[C@@H](CNS(=O)(=O)N(C)CCC#N)[N@@H+]1CCc2ccccc2C1	ZINC000028318906	519231597	/nfs/dbraw/zinc/23/15/97/519231597.db2.gz	UPXPGRXVOQSUBH-GOSISDBHSA-N	1	0	364.515	1.749	20	30		FDEDRO
COCCCNC(=O)[C@H](C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000042643719	519700495	/nfs/dbraw/zinc/70/04/95/519700495.db2.gz	LSJBEUIZEXMBSJ-KRWDZBQOSA-N	1	0	358.486	1.607	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](CN3CCOCC3)C2)cc1	ZINC000069857216	521962042	/nfs/dbraw/zinc/96/20/42/521962042.db2.gz	VTMDNKZMMHUBNJ-SFHVURJKSA-N	1	0	356.470	1.931	20	30		FDEDRO
Cc1nccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1	ZINC000057075990	521996032	/nfs/dbraw/zinc/99/60/32/521996032.db2.gz	GOJBHURTKYANFJ-UHFFFAOYSA-N	1	0	352.442	1.930	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H](c2ccc(C)o2)N2CCOCC2)CC1	ZINC000057138807	522008562	/nfs/dbraw/zinc/00/85/62/522008562.db2.gz	VDGMXXFDFRBEOH-GOSISDBHSA-N	1	0	359.470	1.423	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)CC1	ZINC000057138808	522010108	/nfs/dbraw/zinc/01/01/08/522010108.db2.gz	VDGMXXFDFRBEOH-SFHVURJKSA-N	1	0	359.470	1.423	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(C(=O)Nc3ccc(C)cn3)CC2)CC1	ZINC000057175691	522024102	/nfs/dbraw/zinc/02/41/02/522024102.db2.gz	ZBHCTYXHIYHRPA-UHFFFAOYSA-N	1	0	368.481	1.912	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCCCNC3=O)CC2)cc1	ZINC000045669138	522133590	/nfs/dbraw/zinc/13/35/90/522133590.db2.gz	PHUDMWQBSVGASH-GOSISDBHSA-N	1	0	369.469	1.444	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3C[C@@H](C)S[C@H](C)C3)CC2)o1	ZINC000072771834	522376929	/nfs/dbraw/zinc/37/69/29/522376929.db2.gz	AGYIJMRFGBZDJE-CHWSQXEVSA-N	1	0	363.487	1.329	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCC(=O)N1CCOCC1	ZINC000047011459	522423458	/nfs/dbraw/zinc/42/34/58/522423458.db2.gz	WSTWIMTUHAXXNK-UHFFFAOYSA-N	1	0	372.469	1.087	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCC2)N1CCN(c2ccccc2F)CC1	ZINC000072990143	522445644	/nfs/dbraw/zinc/44/56/44/522445644.db2.gz	NIHLZRNRRZVLPY-UHFFFAOYSA-N	1	0	357.437	1.261	20	30		FDEDRO
N#Cc1ccc(CN2CC[NH+](C[C@H](O)COC[C@H]3CCCO3)CC2)cc1	ZINC000073021442	522451389	/nfs/dbraw/zinc/45/13/89/522451389.db2.gz	FKBUFFVOXZYTNT-VQTJNVASSA-N	1	0	359.470	1.232	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CCc2c(C)nc3c(c(=O)[nH]n3C)c2C)CC1	ZINC000073436772	522526309	/nfs/dbraw/zinc/52/63/09/522526309.db2.gz	HWBOUVVGQBVDKT-UHFFFAOYSA-N	1	0	371.485	1.578	20	30		FDEDRO
COC(=O)Cc1nc(NC(=O)c2oc3ccccc3c2C[NH+](C)C)n[nH]1	ZINC000073765435	522601607	/nfs/dbraw/zinc/60/16/07/522601607.db2.gz	WCCVOTRHEXGSRI-UHFFFAOYSA-N	1	0	357.370	1.964	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CCn1[nH]c(=O)c2ccccc2c1=O	ZINC000064361676	522706192	/nfs/dbraw/zinc/70/61/92/522706192.db2.gz	ZLGRCTZGXQFUCA-UHFFFAOYSA-N	1	0	371.441	1.186	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000065930409	522922537	/nfs/dbraw/zinc/92/25/37/522922537.db2.gz	DMBMRCMSUYMBPJ-UHFFFAOYSA-N	1	0	356.386	1.253	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)NC2CCCCC2)CC1	ZINC000065964413	522928758	/nfs/dbraw/zinc/92/87/58/522928758.db2.gz	VSDWLDUNQFYJQX-CQSZACIVSA-N	1	0	364.490	1.548	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)NCC[N@@H+](C)[C@H](C)CC)cc1	ZINC000066126954	522962451	/nfs/dbraw/zinc/96/24/51/522962451.db2.gz	LFEMYXQJBUDLBN-CQSZACIVSA-N	1	0	351.472	1.058	20	30		FDEDRO
CC[C@H](C)[N@H+](C)CCNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C	ZINC000066125820	522963227	/nfs/dbraw/zinc/96/32/27/522963227.db2.gz	FUEVNGLREFJKTM-ZDUSSCGKSA-N	1	0	356.474	1.997	20	30		FDEDRO
C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000066240583	522995774	/nfs/dbraw/zinc/99/57/74/522995774.db2.gz	AGBVMQJXFBCTNX-CQSZACIVSA-N	1	0	352.442	1.788	20	30		FDEDRO
CCNC(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)=[NH+]CC	ZINC000066246302	522997192	/nfs/dbraw/zinc/99/71/92/522997192.db2.gz	XNJUHOBUMFCVBP-UHFFFAOYSA-N	1	0	352.504	1.936	20	30		FDEDRO
N#Cc1cnn(-c2ccc(C(=O)N3CC[C@H]([NH+]4CCCC4)C3)cc2)c1N	ZINC000066241558	522997867	/nfs/dbraw/zinc/99/78/67/522997867.db2.gz	SMIUMNUFYYBBAF-KRWDZBQOSA-N	1	0	350.426	1.636	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1	ZINC000076255448	523056846	/nfs/dbraw/zinc/05/68/46/523056846.db2.gz	SJBAVFYRWVNMSW-AWEZNQCLSA-N	1	0	361.417	1.624	20	30		FDEDRO
C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000076270591	523060857	/nfs/dbraw/zinc/06/08/57/523060857.db2.gz	KGSNBPVOOQXPIM-SNVBAGLBSA-N	1	0	356.348	1.972	20	30		FDEDRO
CCOCCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1	ZINC000051738693	523064701	/nfs/dbraw/zinc/06/47/01/523064701.db2.gz	UNXGHNDIHXEMOL-HNNXBMFYSA-N	1	0	352.479	1.002	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)C(=O)Nc3cccc(C#N)c3)CC2)CC1	ZINC000051888749	523091965	/nfs/dbraw/zinc/09/19/65/523091965.db2.gz	ZGZAPQNUZKWVQY-UHFFFAOYSA-N	1	0	369.469	1.172	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(=O)NC(C)C)cc2)CC1	ZINC000076513127	523130329	/nfs/dbraw/zinc/13/03/29/523130329.db2.gz	NXOTVESRGGJSOC-UHFFFAOYSA-N	1	0	372.469	1.530	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)CC2)nc1	ZINC000076983721	523224875	/nfs/dbraw/zinc/22/48/75/523224875.db2.gz	TYDMYHIQSXVRNG-KRWDZBQOSA-N	1	0	368.485	1.802	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)cc1	ZINC000052657248	523227282	/nfs/dbraw/zinc/22/72/82/523227282.db2.gz	QMKJRVSGBBLPSK-UHFFFAOYSA-N	1	0	370.453	1.284	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)CC1	ZINC000067233949	523363459	/nfs/dbraw/zinc/36/34/59/523363459.db2.gz	KHEIWNGRIQULTD-LJQANCHMSA-N	1	0	353.466	1.812	20	30		FDEDRO
CC[NH+]1CCC(CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1	ZINC000067418660	523440795	/nfs/dbraw/zinc/44/07/95/523440795.db2.gz	DAYOKTSFRKRXKM-UHFFFAOYSA-N	1	0	370.501	1.953	20	30		FDEDRO
Cn1c(=O)c(C#N)c(N2CCC[N@H+](CC3CCCCC3)CC2)n(C)c1=O	ZINC000054124182	523575596	/nfs/dbraw/zinc/57/55/96/523575596.db2.gz	FWSDFXMJILMWMV-UHFFFAOYSA-N	1	0	359.474	1.048	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(CC(=O)NCc3ccco3)CC2)cc1	ZINC000054454770	523641403	/nfs/dbraw/zinc/64/14/03/523641403.db2.gz	WBWXLHIYLOZYPP-UHFFFAOYSA-N	1	0	352.438	1.975	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCCc2ccc(OC)c(OC)c2OC)CC1	ZINC000068011659	523663486	/nfs/dbraw/zinc/66/34/86/523663486.db2.gz	TTXGWWUDTCCDJN-UHFFFAOYSA-N	1	0	360.454	1.716	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2CCC[NH2+]2)c1	ZINC000078950652	523678373	/nfs/dbraw/zinc/67/83/73/523678373.db2.gz	RAHHRFYIRJWVJJ-CVALACBASA-N	1	0	350.444	1.190	20	30		FDEDRO
C[C@H]1C[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)CC[N@@H+]1Cc1ccccc1	ZINC000080230879	523853839	/nfs/dbraw/zinc/85/38/39/523853839.db2.gz	HJABIESISIXLLO-GOEBONIOSA-N	1	0	367.453	1.421	20	30		FDEDRO
CCCCOCCNC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000055900758	523874070	/nfs/dbraw/zinc/87/40/70/523874070.db2.gz	SJCKTKAHFKYHKY-UHFFFAOYSA-N	1	0	372.513	1.999	20	30		FDEDRO
CN(CC(=O)N[C@@](C)(C#N)C1CC1)C1CC[NH+](CCc2ccccn2)CC1	ZINC000080968930	523923671	/nfs/dbraw/zinc/92/36/71/523923671.db2.gz	RNRCMZZCLPCXAM-NRFANRHFSA-N	1	0	369.513	1.829	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccc(CNC(=O)c3cc(C#N)cn3C)cc2)CC1	ZINC000081671258	524167648	/nfs/dbraw/zinc/16/76/48/524167648.db2.gz	LDOZWAIZTMQXLB-UHFFFAOYSA-N	1	0	365.481	1.964	20	30		FDEDRO
C[NH+]1CCN([C@@H]2CCCCN(C(=O)C(=O)Nc3cccc(C#N)c3)C2)CC1	ZINC000121157904	524169222	/nfs/dbraw/zinc/16/92/22/524169222.db2.gz	RCVFSNQWUJFAGH-GOSISDBHSA-N	1	0	369.469	1.125	20	30		FDEDRO
NC(CCO)=NOCC(=O)NCCC(c1ccccc1)c1ccccc1	ZINC000121334182	524225521	/nfs/dbraw/zinc/22/55/21/524225521.db2.gz	SOMMGOJXVFQCLT-UHFFFAOYSA-N	1	0	355.438	1.996	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1	ZINC000111230847	524228154	/nfs/dbraw/zinc/22/81/54/524228154.db2.gz	PENLDPLKONAPIL-OALUTQOASA-N	1	0	350.551	1.901	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=O)cc1NS(=O)(=O)c1cccc(C#N)c1	ZINC000172541975	524236643	/nfs/dbraw/zinc/23/66/43/524236643.db2.gz	KONSUBBRLAFEAT-UHFFFAOYSA-N	1	0	358.423	1.520	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)CC1	ZINC000083216816	524244052	/nfs/dbraw/zinc/24/40/52/524244052.db2.gz	LBUNMHXWKJFRJG-QGZVFWFLSA-N	1	0	364.490	1.106	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NCCN2CC[NH+](CCCCC#N)CC2)cc1	ZINC000121426551	524254514	/nfs/dbraw/zinc/25/45/14/524254514.db2.gz	HOWAEARRQSQFGO-UHFFFAOYSA-N	1	0	364.515	1.585	20	30		FDEDRO
C[C@H](C(=O)NC(=O)Nc1ccccc1)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000121423743	524254803	/nfs/dbraw/zinc/25/48/03/524254803.db2.gz	VDFSGTGHMQXCBX-GFCCVEGCSA-N	1	0	369.429	1.465	20	30		FDEDRO
C#CCCN1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1	ZINC000139154936	524275908	/nfs/dbraw/zinc/27/59/08/524275908.db2.gz	UGLWXTBQSIYLIU-UHFFFAOYSA-N	1	0	357.819	1.578	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3cnn(CC)c3c2)CC1	ZINC000173276285	524361472	/nfs/dbraw/zinc/36/14/72/524361472.db2.gz	JSWLVQWNTZCYEO-UHFFFAOYSA-N	1	0	355.442	1.761	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccccc1S(C)(=O)=O	ZINC000086281679	524380877	/nfs/dbraw/zinc/38/08/77/524380877.db2.gz	HSSBUSKXIRILKK-UHFFFAOYSA-N	1	0	352.460	1.789	20	30		FDEDRO
CC(C)N(CC[NH+](C)C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000158389773	524457938	/nfs/dbraw/zinc/45/79/38/524457938.db2.gz	NVWGBGLUCJTTJY-UHFFFAOYSA-N	1	0	358.490	1.904	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(-n2cccn2)cc1	ZINC000122137590	524459153	/nfs/dbraw/zinc/45/91/53/524459153.db2.gz	JPBZHOUTAAQXEU-UHFFFAOYSA-N	1	0	368.441	1.505	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cn1	ZINC000173854241	524470817	/nfs/dbraw/zinc/47/08/17/524470817.db2.gz	CHGTXHWXUNEHQB-UHFFFAOYSA-N	1	0	364.471	1.219	20	30		FDEDRO
Cc1n[nH]cc1CCCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000089120307	524476705	/nfs/dbraw/zinc/47/67/05/524476705.db2.gz	ACHNAGSBZQBVBJ-HNNXBMFYSA-N	1	0	362.478	1.531	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)NC(=O)CC2CCCCC2)c1C#N	ZINC000089663274	524517612	/nfs/dbraw/zinc/51/76/12/524517612.db2.gz	ZSFIFXBOUFTBAZ-ZDUSSCGKSA-N	1	0	374.489	1.847	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)c1C#N	ZINC000089677878	524520251	/nfs/dbraw/zinc/52/02/51/524520251.db2.gz	BLWRFVMBLREYIJ-ZDUSSCGKSA-N	1	0	374.489	1.657	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)c1C#N	ZINC000089677885	524520305	/nfs/dbraw/zinc/52/03/05/524520305.db2.gz	BLWRFVMBLREYIJ-CYBMUJFWSA-N	1	0	374.489	1.657	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)Cc2cccc(OCC#N)c2)CC1	ZINC000089849986	524535655	/nfs/dbraw/zinc/53/56/55/524535655.db2.gz	KIPXPUUYDHVQKE-KRWDZBQOSA-N	1	0	358.486	1.521	20	30		FDEDRO
CCc1ccc(CNC(=O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)s1	ZINC000089942686	524553676	/nfs/dbraw/zinc/55/36/76/524553676.db2.gz	WMYWGNDPDYUQJV-UHFFFAOYSA-N	1	0	360.487	1.668	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1	ZINC000174385379	524560839	/nfs/dbraw/zinc/56/08/39/524560839.db2.gz	OPDYOUUWZIIBOH-QGZVFWFLSA-N	1	0	354.454	1.622	20	30		FDEDRO
CC[N@H+](C)C[C@@H]1CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C1	ZINC000174519993	524614009	/nfs/dbraw/zinc/61/40/09/524614009.db2.gz	GMXIANNMJAXMTP-INIZCTEOSA-N	1	0	368.485	1.951	20	30		FDEDRO
CCC(=O)N1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000151639572	524640257	/nfs/dbraw/zinc/64/02/57/524640257.db2.gz	HNLSLJZDYWFZIU-GOSISDBHSA-N	1	0	371.485	1.642	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1cn(C)nc1CC)C(C)C	ZINC000091194444	524657588	/nfs/dbraw/zinc/65/75/88/524657588.db2.gz	BCDQYFLWSJLHAL-KRWDZBQOSA-N	1	0	361.490	1.736	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1	ZINC000113302936	524669668	/nfs/dbraw/zinc/66/96/68/524669668.db2.gz	GEPUQEVSAMIIKC-UHFFFAOYSA-N	1	0	350.488	1.673	20	30		FDEDRO
CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C1	ZINC000091242225	524677459	/nfs/dbraw/zinc/67/74/59/524677459.db2.gz	QODVJLJGEBOQJS-CQSZACIVSA-N	1	0	360.462	1.464	20	30		FDEDRO
CN(CCC[NH+]1CCN(C)CC1)CC(=O)N(CCC#N)c1ccccc1	ZINC000174722912	524709198	/nfs/dbraw/zinc/70/91/98/524709198.db2.gz	WRMZQKOOKZXZTL-UHFFFAOYSA-N	1	0	357.502	1.503	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCCCC2)N1CC[C@@H](C)[C@@H](n2ccnc2)C1	ZINC000159956087	524775692	/nfs/dbraw/zinc/77/56/92/524775692.db2.gz	VAGGIGQYBBFACA-CVEARBPZSA-N	1	0	370.505	1.860	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)N1CCc2ccccc2C1	ZINC000123662377	524801133	/nfs/dbraw/zinc/80/11/33/524801133.db2.gz	KFCFHLJVKGGWPO-HNNXBMFYSA-N	1	0	364.515	1.292	20	30		FDEDRO
CCOC(=O)CNC(=O)C1CC[NH+](Cc2cnc3ccc(C#N)cn23)CC1	ZINC000092064550	524839116	/nfs/dbraw/zinc/83/91/16/524839116.db2.gz	BIVPGVDNBWVISM-UHFFFAOYSA-N	1	0	369.425	1.097	20	30		FDEDRO
CN(CC(=O)Nc1sccc1C#N)CC(C)(C)C[NH+]1CCOCC1	ZINC000123998841	524878019	/nfs/dbraw/zinc/87/80/19/524878019.db2.gz	ZWHUJRQZZDGUQO-UHFFFAOYSA-N	1	0	350.488	1.848	20	30		FDEDRO
CC(C)COC1CC[NH+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1	ZINC000092618139	524899295	/nfs/dbraw/zinc/89/92/95/524899295.db2.gz	OBYFAOBLUCRNAP-IBGZPJMESA-N	1	0	364.534	1.816	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCC(n3ccnc3)CC2)CC1	ZINC000092619032	524899827	/nfs/dbraw/zinc/89/98/27/524899827.db2.gz	UATYCMQJDCOWDS-SFHVURJKSA-N	1	0	358.490	1.212	20	30		FDEDRO
C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000124166358	524920696	/nfs/dbraw/zinc/92/06/96/524920696.db2.gz	AUTGLNZVLQSUEQ-INIZCTEOSA-N	1	0	368.441	1.024	20	30		FDEDRO
C[NH+](C)CCn1c2cc(NC(=O)c3ccc(C#N)nc3)ccc2oc1=O	ZINC000115047900	524937741	/nfs/dbraw/zinc/93/77/41/524937741.db2.gz	UMWNPOYOTRLEEI-UHFFFAOYSA-N	1	0	351.366	1.675	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)CN1CC[NH+](C2CCOCC2)CC1	ZINC000175471943	524968944	/nfs/dbraw/zinc/96/89/44/524968944.db2.gz	DBHWBHPZRNNMLL-FQEVSTJZSA-N	1	0	360.498	1.951	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1	ZINC000115433363	524994556	/nfs/dbraw/zinc/99/45/56/524994556.db2.gz	UEAUJJPLWYMWPI-HNNXBMFYSA-N	1	0	365.499	1.565	20	30		FDEDRO
CCc1nnc(NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c(C#N)c1CC	ZINC000124484151	525001210	/nfs/dbraw/zinc/00/12/10/525001210.db2.gz	ZPZGKXYOYVPWJZ-KRWDZBQOSA-N	1	0	358.490	1.828	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)cc2)[C@H](C)C1	ZINC000115591907	525031219	/nfs/dbraw/zinc/03/12/19/525031219.db2.gz	MFEMEGQUEFWHEX-QAPCUYQASA-N	1	0	365.499	1.974	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1	ZINC000175999272	525041513	/nfs/dbraw/zinc/04/15/13/525041513.db2.gz	FJRYICIVFRUBDQ-UHFFFAOYSA-N	1	0	365.481	1.787	20	30		FDEDRO
COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)CC2	ZINC000124692437	525054526	/nfs/dbraw/zinc/05/45/26/525054526.db2.gz	XEGZFJMJGYADRP-GXTWGEPZSA-N	1	0	354.414	1.228	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1	ZINC000176110098	525055215	/nfs/dbraw/zinc/05/52/15/525055215.db2.gz	TVDMMEOIXJKMAK-KRWDZBQOSA-N	1	0	358.442	1.453	20	30		FDEDRO
N#Cc1cnc2ccccc2c1N1CC[NH+](CC2(O)CCOCC2)CC1	ZINC000153003622	525073374	/nfs/dbraw/zinc/07/33/74/525073374.db2.gz	HHEHBRMYLITKQT-UHFFFAOYSA-N	1	0	352.438	1.770	20	30		FDEDRO
C#CCOc1cccc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1	ZINC000124897632	525102111	/nfs/dbraw/zinc/10/21/11/525102111.db2.gz	HOTRSTSAFIYERE-SFHVURJKSA-N	1	0	370.453	1.469	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2CCC(OCCC[NH3+])CC2)ccc1Cl	ZINC000124975937	525118017	/nfs/dbraw/zinc/11/80/17/525118017.db2.gz	CVLYEXKHQJMMHW-UHFFFAOYSA-N	1	0	357.863	1.730	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)NCCCC[N@H+]2CCC[C@@H]2CO)ccc1Cl	ZINC000161749376	525164874	/nfs/dbraw/zinc/16/48/74/525164874.db2.gz	LXYXPNAVVCFGDP-CQSZACIVSA-N	1	0	371.890	1.727	20	30		FDEDRO
COc1ccc(-c2noc(C[N@H+](C)CCCc3[nH]nc(N)c3C#N)n2)cc1	ZINC000153315952	525176470	/nfs/dbraw/zinc/17/64/70/525176470.db2.gz	VJEFGCKMWHGPMY-UHFFFAOYSA-N	1	0	367.413	1.987	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cccc(C[S@](=O)CCOC)c2)CC1	ZINC000116681437	525193007	/nfs/dbraw/zinc/19/30/07/525193007.db2.gz	ZRLLWOGELCPTJY-VWLOTQADSA-N	1	0	362.495	1.865	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)C1CCCCC1	ZINC000153563608	525250076	/nfs/dbraw/zinc/25/00/76/525250076.db2.gz	RHLBPONMJYGPJK-GOSISDBHSA-N	1	0	356.470	1.915	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](CN1CCOCC1)c1ccccc1	ZINC000102700825	525300915	/nfs/dbraw/zinc/30/09/15/525300915.db2.gz	LAJAWZFYJLVUFO-QUCCMNQESA-N	1	0	358.486	1.704	20	30		FDEDRO
C[NH+]1CCC(NC(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)CC1	ZINC000162898972	525330669	/nfs/dbraw/zinc/33/06/69/525330669.db2.gz	GLMWHEIGKPKEEV-UHFFFAOYSA-N	1	0	369.450	1.831	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CC[N@@H+](C)C[C@@H]3C(C)C)cc2C1=O	ZINC000153843617	525341647	/nfs/dbraw/zinc/34/16/47/525341647.db2.gz	QODCDWBXXKHDIM-QGZVFWFLSA-N	1	0	355.438	1.881	20	30		FDEDRO
N#Cc1cccc(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1	ZINC000103268390	525342051	/nfs/dbraw/zinc/34/20/51/525342051.db2.gz	XUZYOWSPKSVAQV-UHFFFAOYSA-N	1	0	355.442	1.008	20	30		FDEDRO
CC(C)CNC(=[NH2+])NCC1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000104183060	525397306	/nfs/dbraw/zinc/39/73/06/525397306.db2.gz	QOULSLFUAXAQNE-UHFFFAOYSA-N	1	0	352.504	1.648	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NCc1ccccc1S(=O)(=O)NC(C)(C)C	ZINC000104179888	525397486	/nfs/dbraw/zinc/39/74/86/525397486.db2.gz	FUONLIVEKKHEGH-GFCCVEGCSA-N	1	0	356.492	1.203	20	30		FDEDRO
C[NH+]=C(NCc1ccc(C(N)=O)o1)N(C)Cc1nc2c(s1)CCCC2	ZINC000127344515	525412853	/nfs/dbraw/zinc/41/28/53/525412853.db2.gz	NESQEFKQICSLPV-UHFFFAOYSA-N	1	0	361.471	1.921	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1	ZINC000178480910	525435959	/nfs/dbraw/zinc/43/59/59/525435959.db2.gz	GPSIEOXIRCJCKC-UHFFFAOYSA-N	1	0	358.442	1.110	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	ZINC000118124586	525468297	/nfs/dbraw/zinc/46/82/97/525468297.db2.gz	BCGJUBQEHJHWHO-AWEZNQCLSA-N	1	0	364.833	1.377	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N(CCC)[C@@H]2CC[NH2+]C2)ccc1F	ZINC000178884431	525498164	/nfs/dbraw/zinc/49/81/64/525498164.db2.gz	JAINUGONGUQWNN-CQSZACIVSA-N	1	0	369.462	1.504	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)CC1	ZINC000178919095	525504722	/nfs/dbraw/zinc/50/47/22/525504722.db2.gz	SILPALRXFBHUJU-IRXDYDNUSA-N	1	0	363.458	1.764	20	30		FDEDRO
CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000128318566	525526534	/nfs/dbraw/zinc/52/65/34/525526534.db2.gz	QSWATSAWOXMKQE-KRWDZBQOSA-N	1	0	371.485	1.571	20	30		FDEDRO
C=CCNC(=O)C(=O)Nc1c(C)cnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000154418501	525528253	/nfs/dbraw/zinc/52/82/53/525528253.db2.gz	ARCYJLAUBKIOKU-QGZVFWFLSA-N	1	0	367.453	1.879	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1	ZINC000179171819	525541340	/nfs/dbraw/zinc/54/13/40/525541340.db2.gz	IALVQGKSPUINPF-SFHVURJKSA-N	1	0	370.497	1.985	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)CC1	ZINC000106039110	525553215	/nfs/dbraw/zinc/55/32/15/525553215.db2.gz	HNORVQVFIKNXLP-UHFFFAOYSA-N	1	0	370.453	1.237	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](CCCO)c2ccccc2)CC1	ZINC000179743272	525620933	/nfs/dbraw/zinc/62/09/33/525620933.db2.gz	KNZKKHQOEKNRRR-PMACEKPBSA-N	1	0	372.513	1.782	20	30		FDEDRO
C[C@@H]1C[NH+](Cc2ccc(CNC(=O)N3CCO[C@H](C#N)C3)cc2)C[C@@H](C)O1	ZINC000106330803	525691850	/nfs/dbraw/zinc/69/18/50/525691850.db2.gz	GWVVJDGVBHINSJ-GPMSIDNRSA-N	1	0	372.469	1.730	20	30		FDEDRO
COc1ccc([C@@H](CNC(=O)N2CCO[C@H](C#N)C2)[NH+]2CCCC2)cc1	ZINC000106326964	525693249	/nfs/dbraw/zinc/69/32/49/525693249.db2.gz	FLVNZRJOTXRZPA-QZTJIDSGSA-N	1	0	358.442	1.766	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NCC1CCN(Cc2nc(C)c(C)o2)CC1	ZINC000180646660	525734615	/nfs/dbraw/zinc/73/46/15/525734615.db2.gz	OCFWKAKVWKIWSZ-UHFFFAOYSA-N	1	0	363.462	1.105	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(OC[C@H]3CCOC3)CC2)cc1	ZINC000119479449	525760367	/nfs/dbraw/zinc/76/03/67/525760367.db2.gz	MHCSTXPGYMWYBM-ZWKOTPCHSA-N	1	0	360.454	1.815	20	30		FDEDRO
CN(C)[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)c1ccccc1Cl	ZINC000170906768	525763062	/nfs/dbraw/zinc/76/30/62/525763062.db2.gz	VKLSDOCQSCOMCL-KRWDZBQOSA-N	1	0	367.925	1.569	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](C)CN2CCN(c3ccccc3)CC2)CC1	ZINC000119560554	525786663	/nfs/dbraw/zinc/78/66/63/525786663.db2.gz	KLPVFQXYEKCUTP-IBGZPJMESA-N	1	0	368.525	1.659	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)CSc3ccc(C#N)cc3)C2)CC1	ZINC000106799340	525786824	/nfs/dbraw/zinc/78/68/24/525786824.db2.gz	FYNUHILRGZKXGP-QGZVFWFLSA-N	1	0	358.511	1.889	20	30		FDEDRO
N#CCCCCNC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000170994299	525792805	/nfs/dbraw/zinc/79/28/05/525792805.db2.gz	QJARMWQQSYNUTE-GOSISDBHSA-N	1	0	371.485	1.877	20	30		FDEDRO
CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)cc1	ZINC000181042398	525796124	/nfs/dbraw/zinc/79/61/24/525796124.db2.gz	YVCRQAGMIHFPRE-QWHCGFSZSA-N	1	0	352.460	1.006	20	30		FDEDRO
C[C@H](C#N)CNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-]	ZINC000181125911	525810844	/nfs/dbraw/zinc/81/08/44/525810844.db2.gz	HCUGPOYJGQIHKD-LLVKDONJSA-N	1	0	355.420	1.006	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH+]1CCN(Cc2cn3ccccc3n2)CC1	ZINC000131023363	525819069	/nfs/dbraw/zinc/81/90/69/525819069.db2.gz	RTNUNVWINJWLID-UHFFFAOYSA-N	1	0	354.458	1.214	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)C(C)(C)C[NH+](C)C	ZINC000119658824	525819734	/nfs/dbraw/zinc/81/97/34/525819734.db2.gz	RNQQHVWJZHZWHL-HNNXBMFYSA-N	1	0	358.490	1.761	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCC2(C)CC[NH2+]CC2)c1	ZINC000181280513	525831242	/nfs/dbraw/zinc/83/12/42/525831242.db2.gz	OATKRZFPMIZWRF-UHFFFAOYSA-N	1	0	351.472	1.270	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[NH+](CC(C)(C)O)CC1	ZINC000171152780	525875262	/nfs/dbraw/zinc/87/52/62/525875262.db2.gz	IUPQUHBIJQSCAJ-ZDUSSCGKSA-N	1	0	364.877	1.927	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCC[NH+]1CCCCC1	ZINC000181657041	525885777	/nfs/dbraw/zinc/88/57/77/525885777.db2.gz	PRPKRGHBBGUVOA-OAHLLOKOSA-N	1	0	358.442	1.908	20	30		FDEDRO
COc1cc(CNC(=O)c2ccc(C#N)cn2)ccc1OCC[NH+](C)C	ZINC000107583036	525896419	/nfs/dbraw/zinc/89/64/19/525896419.db2.gz	AHIGJDXXXAJENW-UHFFFAOYSA-N	1	0	354.410	1.832	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000171340486	525954745	/nfs/dbraw/zinc/95/47/45/525954745.db2.gz	MGSCALKUNALCLA-UHFFFAOYSA-N	1	0	357.454	1.632	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)Cc3cccc(C#N)c3)C2)CC1	ZINC000108400635	525965929	/nfs/dbraw/zinc/96/59/29/525965929.db2.gz	BIQXHJOGEZSEJZ-GOSISDBHSA-N	1	0	362.499	1.100	20	30		FDEDRO
CC(C)c1nnc(CO[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)o1	ZINC000132472728	525966207	/nfs/dbraw/zinc/96/62/07/525966207.db2.gz	NTTUXKKSADQYNJ-UHFFFAOYSA-N	1	0	359.430	1.991	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1	ZINC000181899843	525973998	/nfs/dbraw/zinc/97/39/98/525973998.db2.gz	VRIHPHBJXIEFBA-ZNMIVQPWSA-N	1	0	358.442	1.905	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1	ZINC000155805396	525978081	/nfs/dbraw/zinc/97/80/81/525978081.db2.gz	CXOFQBNTNHLPIA-QAPCUYQASA-N	1	0	356.470	1.739	20	30		FDEDRO
C[C@H](c1nnc(SCC(=O)NCC#N)n1-c1ccc(F)cc1)N(C)C	ZINC000108659325	526009031	/nfs/dbraw/zinc/00/90/31/526009031.db2.gz	KLENSZPDLDCUCA-LLVKDONJSA-N	1	0	362.434	1.761	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1	ZINC000155924368	526009583	/nfs/dbraw/zinc/00/95/83/526009583.db2.gz	JKFHPNFQPDWDNY-QAPCUYQASA-N	1	0	352.438	1.972	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H](CC)Nc2nnnn2-c2ccccc2)CC1	ZINC000171565931	526037833	/nfs/dbraw/zinc/03/78/33/526037833.db2.gz	LJVXQFJAUFHQAT-KRWDZBQOSA-N	1	0	369.473	1.619	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2ccc(OC)c(-n3nnnc3C)c2)CC1	ZINC000171639847	526060690	/nfs/dbraw/zinc/06/06/90/526060690.db2.gz	MZODTUWUOSESFP-UHFFFAOYSA-N	1	0	371.445	1.751	20	30		FDEDRO
CC(C)[NH+](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(C)C	ZINC000156202893	526079382	/nfs/dbraw/zinc/07/93/82/526079382.db2.gz	GSBZZQOZDNELJM-UHFFFAOYSA-N	1	0	354.432	1.864	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccc(CNC(=O)C3(C#N)CCOCC3)cc2)CC1	ZINC000109140074	526079670	/nfs/dbraw/zinc/07/96/70/526079670.db2.gz	CWULIAKKVICCCO-UHFFFAOYSA-N	1	0	370.497	1.761	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)CC1	ZINC000171721733	526092798	/nfs/dbraw/zinc/09/27/98/526092798.db2.gz	IAWRTTWAAOXKKR-UHFFFAOYSA-N	1	0	358.442	1.984	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)NC)ccc2C)CC1	ZINC000171729483	526099802	/nfs/dbraw/zinc/09/98/02/526099802.db2.gz	XCRONCVHOCQVLY-UHFFFAOYSA-N	1	0	365.499	1.673	20	30		FDEDRO
C[C@H](CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12)Cn1cccn1	ZINC000133895183	526104099	/nfs/dbraw/zinc/10/40/99/526104099.db2.gz	TYZZZPHJBXSXFA-HUUCEWRRSA-N	1	0	362.478	1.400	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(c3cccc(OCC)n3)CC2)CC1	ZINC000171739330	526104452	/nfs/dbraw/zinc/10/44/52/526104452.db2.gz	ZHGGFEGUIQMTSW-UHFFFAOYSA-N	1	0	373.501	1.962	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1	ZINC000120562957	526110291	/nfs/dbraw/zinc/11/02/91/526110291.db2.gz	UZAZTJNDCZPVML-HIFRSBDPSA-N	1	0	361.417	1.717	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cc1	ZINC000109821217	526193036	/nfs/dbraw/zinc/19/30/36/526193036.db2.gz	FXPJMNDAMTUVEI-RTBURBONSA-N	1	0	359.470	1.485	20	30		FDEDRO
C[C@@H](C[S@](C)=O)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000182610008	535833348	/nfs/dbraw/zinc/83/33/48/535833348.db2.gz	JPTKQZCJLLGEPD-BSEYFRJRSA-N	1	0	350.488	1.398	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1cn(C)c(=O)cc1C)C(C)C	ZINC000182962472	535894874	/nfs/dbraw/zinc/89/48/74/535894874.db2.gz	UDKCEIYYQYQXDU-KRWDZBQOSA-N	1	0	374.485	1.447	20	30		FDEDRO
C=CC[C@@H](CO)NC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1	ZINC000183059750	535912764	/nfs/dbraw/zinc/91/27/64/535912764.db2.gz	IEDRBJHDNJZLBS-OALUTQOASA-N	1	0	360.502	1.601	20	30		FDEDRO
C[C@@H](O)CC[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000183181829	535937624	/nfs/dbraw/zinc/93/76/24/535937624.db2.gz	ATOKCSSDLKAYJM-CABCVRRESA-N	1	0	350.488	1.160	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1	ZINC000186630754	536239225	/nfs/dbraw/zinc/23/92/25/536239225.db2.gz	CTFQHPIPFMABMI-UHFFFAOYSA-N	1	0	368.481	1.602	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1	ZINC000187667508	536271183	/nfs/dbraw/zinc/27/11/83/536271183.db2.gz	GJFKJXJFQUJYHF-MRXNPFEDSA-N	1	0	357.454	1.875	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@@]2(CO)CC[C@@H](C)C2)CC1	ZINC000187926457	536278110	/nfs/dbraw/zinc/27/81/10/536278110.db2.gz	IDUWEKOTAKMOJE-AOIWGVFYSA-N	1	0	350.507	1.162	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1	ZINC000188226935	536286532	/nfs/dbraw/zinc/28/65/32/536286532.db2.gz	KBWLATAZAXMYNM-UHFFFAOYSA-N	1	0	358.442	1.838	20	30		FDEDRO
CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC000266868448	536938257	/nfs/dbraw/zinc/93/82/57/536938257.db2.gz	UAVZPWRNSDWABU-HYEKCJMVSA-N	1	0	363.462	1.029	20	30		FDEDRO
CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC000266868449	536938578	/nfs/dbraw/zinc/93/85/78/536938578.db2.gz	UAVZPWRNSDWABU-UPTRSRDDSA-N	1	0	363.462	1.029	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc2c(c1)C[NH2+]C2	ZINC000188766506	536944824	/nfs/dbraw/zinc/94/48/24/536944824.db2.gz	OAFVCXLUUZYATB-UHFFFAOYSA-N	1	0	350.422	1.716	20	30		FDEDRO
C[C@H](NC(=[NH2+])NCC(=O)N1CCOCC1)c1ccc(Cl)cc1Cl	ZINC000263121911	536977660	/nfs/dbraw/zinc/97/76/60/536977660.db2.gz	DOKUWLLSNOQERO-JTQLQIEISA-N	1	0	359.257	1.818	20	30		FDEDRO
C[NH+]=C(NC[C@@]1(N2CCOCC2)CCSC1)N1CCc2ccccc21	ZINC000263242209	536998923	/nfs/dbraw/zinc/99/89/23/536998923.db2.gz	LMHDQCGLWOPAQF-IBGZPJMESA-N	1	0	360.527	1.832	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCC([C@H]3CCCO3)CC2)CC1	ZINC000189174684	537008430	/nfs/dbraw/zinc/00/84/30/537008430.db2.gz	WUGQKTSHBQTSLG-RBUKOAKNSA-N	1	0	362.518	1.570	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)nc1	ZINC000246721138	537011514	/nfs/dbraw/zinc/01/15/14/537011514.db2.gz	OFQGTYXRAATPQN-HKUYNNGSSA-N	1	0	350.422	1.566	20	30		FDEDRO
CN1c2ccccc2N(C)C1=C1C(=N)N(CC2(C(N)=O)CCCC2)CC1=O	ZINC000269795154	537022416	/nfs/dbraw/zinc/02/24/16/537022416.db2.gz	BEZNMGVZSMJQOI-UHFFFAOYSA-N	1	0	367.453	1.692	20	30		FDEDRO
CC(C)C(=O)NC[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000263716731	537077130	/nfs/dbraw/zinc/07/71/30/537077130.db2.gz	LEGIPPXWXWBOAN-SFHVURJKSA-N	1	0	356.470	1.659	20	30		FDEDRO
CC[N@H+](CCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C1CC1	ZINC000263758635	537090600	/nfs/dbraw/zinc/09/06/00/537090600.db2.gz	QWVTYHAPXLTHCY-UHFFFAOYSA-N	1	0	364.471	1.093	20	30		FDEDRO
C[C@H]1CN(CCC(=O)Nc2sccc2C#N)CC[N@@H+]1CC(C)(C)O	ZINC000189922568	537116435	/nfs/dbraw/zinc/11/64/35/537116435.db2.gz	YVONWXRDABOAPJ-ZDUSSCGKSA-N	1	0	350.488	1.725	20	30		FDEDRO
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000247422241	537118258	/nfs/dbraw/zinc/11/82/58/537118258.db2.gz	ZBGCLDMSZAQBMQ-ZWKOTPCHSA-N	1	0	370.453	1.011	20	30		FDEDRO
C[C@H]1CN([C@@H]2CCN(c3sccc3C#N)C2=O)CC[N@@H+]1CC(C)(C)O	ZINC000189950537	537120215	/nfs/dbraw/zinc/12/02/15/537120215.db2.gz	AVPARJULCCTDRD-DZGCQCFKSA-N	1	0	362.499	1.502	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1	ZINC000190036331	537130714	/nfs/dbraw/zinc/13/07/14/537130714.db2.gz	MRDKDZUGNAMTBR-MRXNPFEDSA-N	1	0	355.438	1.724	20	30		FDEDRO
COc1cc(/C=C/C(=O)NCCCN2CC[NH+](C)CC2)ccc1OCC#N	ZINC000263960993	537133549	/nfs/dbraw/zinc/13/35/49/537133549.db2.gz	DSDARMIPVVKWIW-FNORWQNLSA-N	1	0	372.469	1.364	20	30		FDEDRO
C[NH+]=C(NCc1ccco1)NCc1ccc(OCC(=O)N(C)C)c(OC)c1	ZINC000264049696	537136112	/nfs/dbraw/zinc/13/61/12/537136112.db2.gz	MAEMBURNKBGDTL-UHFFFAOYSA-N	1	0	374.441	1.620	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NC[C@@H](c1cccc(Cl)c1)N1CCOCC1	ZINC000264296042	537140816	/nfs/dbraw/zinc/14/08/16/537140816.db2.gz	QSUJBIRDIFFBMA-CJNGLKHVSA-N	1	0	354.882	1.653	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1	ZINC000264553463	537145716	/nfs/dbraw/zinc/14/57/16/537145716.db2.gz	KDJVHIQNUFRSLE-LSDHHAIUSA-N	1	0	360.433	1.797	20	30		FDEDRO
C[C@@H]([NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)C(=O)N(C)CCC#N	ZINC000264873883	537148753	/nfs/dbraw/zinc/14/87/53/537148753.db2.gz	PHKARXGXMVYCAD-LSDHHAIUSA-N	1	0	372.469	1.755	20	30		FDEDRO
C=CCNC(=O)c1ccc(NCc2ccc(N3CC[NH+](C)CC3)nc2)nc1	ZINC000264918030	537150267	/nfs/dbraw/zinc/15/02/67/537150267.db2.gz	VIVRIFJFJRPDBY-UHFFFAOYSA-N	1	0	366.469	1.756	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccnn2[C@@H](C)C2CC2)CC1	ZINC000192012741	537218327	/nfs/dbraw/zinc/21/83/27/537218327.db2.gz	ZKPSVHACEGJIEI-AWEZNQCLSA-N	1	0	359.474	1.949	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H](C)C#N)cc(N2CC[NH+](C(C)C)CC2)c1	ZINC000192115091	537220810	/nfs/dbraw/zinc/22/08/10/537220810.db2.gz	MBSFNVHQTWPLKN-INIZCTEOSA-N	1	0	371.485	1.740	20	30		FDEDRO
Cc1ccc(N(CCC#N)C(=O)CN2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)cc1C	ZINC000192824774	537234169	/nfs/dbraw/zinc/23/41/69/537234169.db2.gz	XWBWVPOBNKAKLY-RBUKOAKNSA-N	1	0	372.513	1.937	20	30		FDEDRO
CC[NH+](CC)CCN(CCOC)C(=O)C(=O)Nc1sccc1C#N	ZINC000292968996	537263365	/nfs/dbraw/zinc/26/33/65/537263365.db2.gz	CAGODLICQKQYQM-UHFFFAOYSA-N	1	0	352.460	1.375	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	ZINC000282217552	537266497	/nfs/dbraw/zinc/26/64/97/537266497.db2.gz	MSCMGSDKXHITKF-UHFFFAOYSA-N	1	0	362.449	1.985	20	30		FDEDRO
C=C[C@@H](CO)NC(=O)NCc1cn2cc(Br)cc(C)c2n1	ZINC000292979142	537269330	/nfs/dbraw/zinc/26/93/30/537269330.db2.gz	NBYRIASLJWYZDO-NSHDSACASA-N	1	0	353.220	1.751	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1	ZINC000282249445	537287460	/nfs/dbraw/zinc/28/74/60/537287460.db2.gz	FKRMISXHVRVWJL-UXLLHSPISA-N	1	0	350.488	1.718	20	30		FDEDRO
C#CCN(Cc1ccc(F)cc1)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	ZINC000282260333	537290456	/nfs/dbraw/zinc/29/04/56/537290456.db2.gz	OZQHKPIJTQBHSH-UHFFFAOYSA-N	1	0	360.477	1.997	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)nc1	ZINC000293025259	537298550	/nfs/dbraw/zinc/29/85/50/537298550.db2.gz	LQOLRQRAEQEDPO-QGZVFWFLSA-N	1	0	363.421	1.845	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)ccc1F	ZINC000278323873	537298986	/nfs/dbraw/zinc/29/89/86/537298986.db2.gz	VLRMEFHURIBADB-AAEUAGOBSA-N	1	0	355.435	1.160	20	30		FDEDRO
NC(=[NH+]OCCO[C@@H]1CCCCO1)c1ccc(N2CCC(O)CC2)cc1	ZINC000282403485	537325593	/nfs/dbraw/zinc/32/55/93/537325593.db2.gz	KDFLVKZWRNENJY-GOSISDBHSA-N	1	0	363.458	1.828	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N1CCN(C)C[C@@H]1c1ccccc1	ZINC000282849836	537341952	/nfs/dbraw/zinc/34/19/52/537341952.db2.gz	NSNSHPXQBJXQMV-QGZVFWFLSA-N	1	0	366.487	1.082	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(c2nccc(Oc3ccccc3)n2)CC1	ZINC000278913895	537343389	/nfs/dbraw/zinc/34/33/89/537343389.db2.gz	SIRFLPLHCYFTBZ-UHFFFAOYSA-N	1	0	365.437	1.530	20	30		FDEDRO
Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2ccc(C#N)cn2)c1	ZINC000293109107	537348043	/nfs/dbraw/zinc/34/80/43/537348043.db2.gz	PHTYCYKWCYJTQR-UHFFFAOYSA-N	1	0	365.437	1.791	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1	ZINC000333548073	537349447	/nfs/dbraw/zinc/34/94/47/537349447.db2.gz	UBEUTODRQJHOHB-INIZCTEOSA-N	1	0	357.454	1.678	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1	ZINC000333538166	537349465	/nfs/dbraw/zinc/34/94/65/537349465.db2.gz	IXQAVLWOMZKKIW-VSZNYVQBSA-N	1	0	351.491	1.896	20	30		FDEDRO
N#C[C@H](CCc1ccccc1)C(=O)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1	ZINC000333768623	537351507	/nfs/dbraw/zinc/35/15/07/537351507.db2.gz	QXIQPGJYHVCFTL-OALUTQOASA-N	1	0	368.481	1.572	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2oc(C(=O)OC)cc2c1	ZINC000293198065	537385475	/nfs/dbraw/zinc/38/54/75/537385475.db2.gz	AEZORDSCZIXZAI-UHFFFAOYSA-N	1	0	371.393	1.229	20	30		FDEDRO
CN(C)C(NCc1ccccc1)=[NH+]C[C@@]1(N2CCOCC2)CCCOC1	ZINC000364399971	537392690	/nfs/dbraw/zinc/39/26/90/537392690.db2.gz	AWSYDMSTGAFTGT-FQEVSTJZSA-N	1	0	360.502	1.575	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CCC[N@@H+](CCCOC)CC1	ZINC000364797011	537397771	/nfs/dbraw/zinc/39/77/71/537397771.db2.gz	JPMFWXXBEYKAIQ-UHFFFAOYSA-N	1	0	373.453	1.208	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(C2CC[NH+]([C@@H](C)c3ccncc3)CC2)C1=O	ZINC000348609417	537397579	/nfs/dbraw/zinc/39/75/79/537397579.db2.gz	WMJLSYKRXPHYRM-WMLDXEAASA-N	1	0	358.442	1.730	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N([C@H](C)C[NH+]2CCN(c3ccccc3)CC2)C1=O	ZINC000348608959	537398172	/nfs/dbraw/zinc/39/81/72/537398172.db2.gz	DQUKPGHAQWMROI-SJLPKXTDSA-N	1	0	372.469	1.320	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(OCCC)nc2)CC1	ZINC000286569851	537436061	/nfs/dbraw/zinc/43/60/61/537436061.db2.gz	XNWPQILZWADFPC-UHFFFAOYSA-N	1	0	360.458	1.253	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)CC1	ZINC000299123355	537449093	/nfs/dbraw/zinc/44/90/93/537449093.db2.gz	AFYVJOXMIWRTIX-UHFFFAOYSA-N	1	0	357.429	1.455	20	30		FDEDRO
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000288069896	537451149	/nfs/dbraw/zinc/45/11/49/537451149.db2.gz	GENWTJBHIDTINN-PMACEKPBSA-N	1	0	355.482	1.985	20	30		FDEDRO
C=CCC[N@@H+](C)CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000276362312	537452767	/nfs/dbraw/zinc/45/27/67/537452767.db2.gz	FXWCXSCKTOBYHB-UHFFFAOYSA-N	1	0	367.471	1.154	20	30		FDEDRO
C#CC[C@H]([NH2+]CCCn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccccc1	ZINC000299167148	537460924	/nfs/dbraw/zinc/46/09/24/537460924.db2.gz	XWTFZBXHCBALIL-INIZCTEOSA-N	1	0	365.437	1.178	20	30		FDEDRO
C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(C#N)cc2)C[C@H](C)O1	ZINC000299283379	537534386	/nfs/dbraw/zinc/53/43/86/537534386.db2.gz	WOYMPKOTMLPFIJ-HNJRGHQBSA-N	1	0	373.497	1.872	20	30		FDEDRO
C[NH+](C)CCc1ccc(CNC(=O)C(=O)Nc2cccc(C#N)c2)cc1	ZINC000276486424	537542363	/nfs/dbraw/zinc/54/23/63/537542363.db2.gz	UGMIYYOSNMXRPZ-UHFFFAOYSA-N	1	0	350.422	1.917	20	30		FDEDRO
C=CCC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000276497840	537551434	/nfs/dbraw/zinc/55/14/34/537551434.db2.gz	VVGCEUCHQGNJTR-UHFFFAOYSA-N	1	0	369.462	1.167	20	30		FDEDRO
C=CCOc1ccc(C[NH2+][C@H]2CCN(c3ccn(C)n3)C2=O)cc1OC	ZINC000360093029	537578634	/nfs/dbraw/zinc/57/86/34/537578634.db2.gz	NNBGYBUDSJXWMC-HNNXBMFYSA-N	1	0	356.426	1.889	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1C#N	ZINC000360391842	537586866	/nfs/dbraw/zinc/58/68/66/537586866.db2.gz	ZSVLZTWRWCNZSW-MRXNPFEDSA-N	1	0	369.469	1.044	20	30		FDEDRO
C=CCn1c([C@H](C)CC)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000289833541	537594088	/nfs/dbraw/zinc/59/40/88/537594088.db2.gz	WYPVHSQWSJSHRF-HZPDHXFCSA-N	1	0	360.506	1.720	20	30		FDEDRO
C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C#N)cn1	ZINC000293840554	537608229	/nfs/dbraw/zinc/60/82/29/537608229.db2.gz	SVCPQFZVJHFMAO-CQSZACIVSA-N	1	0	351.410	1.528	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CC[NH2+]C2)c1	ZINC000237091623	537610913	/nfs/dbraw/zinc/61/09/13/537610913.db2.gz	WEWQVJZEWZEQTH-WGBIJJAVSA-N	1	0	350.444	1.047	20	30		FDEDRO
N#Cc1cc(Br)ccc1CN1C(=O)NC2(CC[NH2+]CC2)C1=O	ZINC000320779479	537613674	/nfs/dbraw/zinc/61/36/74/537613674.db2.gz	DNMCNYGCHWWKEA-UHFFFAOYSA-N	1	0	363.215	1.495	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)CS[C@H](C)C(=O)Nc1cc(C)on1	ZINC000293879782	537616090	/nfs/dbraw/zinc/61/60/90/537616090.db2.gz	CNOOHKGUOFOPNS-CYBMUJFWSA-N	1	0	352.460	1.115	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1sccc1C#N	ZINC000293984217	537635961	/nfs/dbraw/zinc/63/59/61/537635961.db2.gz	BPIJHBVXSUNGSI-GFCCVEGCSA-N	1	0	362.455	1.270	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(c2ccc(C#N)cn2)CC1)C1=CC[N@H+](C)CC1	ZINC000329712836	537642415	/nfs/dbraw/zinc/64/24/15/537642415.db2.gz	QPGIFIORBBYISX-HNNXBMFYSA-N	1	0	354.458	1.640	20	30		FDEDRO
CS(=O)(=O)C1(CNC(=O)N2CCC([NH+]3CCCCC3)CC2)CCC1	ZINC000330027050	537650671	/nfs/dbraw/zinc/65/06/71/537650671.db2.gz	MLODCBWZIXZAPR-UHFFFAOYSA-N	1	0	357.520	1.818	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1CC(=O)N(C2CC2)C1	ZINC000330227089	537652178	/nfs/dbraw/zinc/65/21/78/537652178.db2.gz	PBXMGEKBNKBMFJ-HUUCEWRRSA-N	1	0	364.490	1.096	20	30		FDEDRO
Cc1nn(C)c(-n2ccnc2C)c1C(=O)NC[C@@H](C)N1CC[NH+](C)CC1	ZINC000330357196	537655260	/nfs/dbraw/zinc/65/52/60/537655260.db2.gz	SNASOWCBWVPTHM-CYBMUJFWSA-N	1	0	359.478	1.163	20	30		FDEDRO
C[C@@H]1C[NH+]=C(NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)N1	ZINC000285197506	537658282	/nfs/dbraw/zinc/65/82/82/537658282.db2.gz	VWUXHIVJBTYBGM-GFCCVEGCSA-N	1	0	354.451	1.306	20	30		FDEDRO
CO[C@@H]1COCC[C@@H]1CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000294408219	537692046	/nfs/dbraw/zinc/69/20/46/537692046.db2.gz	JPQCHNGOBPJCRC-RTBURBONSA-N	1	0	359.470	1.890	20	30		FDEDRO
C#CCn1ccc(C[N@H+](CC)CCc2c(C)nc3sccn3c2=O)n1	ZINC000285452142	537714793	/nfs/dbraw/zinc/71/47/93/537714793.db2.gz	YDYRNHMRBIIKNP-UHFFFAOYSA-N	1	0	355.467	1.959	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(CC(=O)NC(=O)NC3CCCCC3)C2)nc1	ZINC000292307616	537726830	/nfs/dbraw/zinc/72/68/30/537726830.db2.gz	VDHWRUDOJAPGEC-MRXNPFEDSA-N	1	0	371.441	1.565	20	30		FDEDRO
CC[C@@](C)(C#N)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000285560104	537730237	/nfs/dbraw/zinc/73/02/37/537730237.db2.gz	VHHRAVLTQLLUKZ-XLIONFOSSA-N	1	0	356.470	1.940	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](COC)c2ccccc2)CC1	ZINC000285713710	537749377	/nfs/dbraw/zinc/74/93/77/537749377.db2.gz	ARAMRDWAAKZZFQ-GOSISDBHSA-N	1	0	359.470	1.647	20	30		FDEDRO
C=CCN=c1[nH]cc(C(=O)N2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)s1	ZINC000366474933	537764967	/nfs/dbraw/zinc/76/49/67/537764967.db2.gz	QJOJBXYOLFPIAA-HNNXBMFYSA-N	1	0	363.531	1.841	20	30		FDEDRO
C[NH+]1CCN(C[C@@H](O)COc2ccc(Br)cc2C#N)CC1	ZINC000414139661	537766765	/nfs/dbraw/zinc/76/67/65/537766765.db2.gz	LBAZCQILPWVGOD-CQSZACIVSA-N	1	0	354.248	1.308	20	30		FDEDRO
COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](Cc2cnc3ccc(C#N)cn23)CC1	ZINC000366547681	537779417	/nfs/dbraw/zinc/77/94/17/537779417.db2.gz	ATHCIZDHTUQXBX-MJGOQNOKSA-N	1	0	368.437	1.996	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)CN1CCC([NH+]2CCN(C(C)C)CC2)CC1	ZINC000371341969	537819840	/nfs/dbraw/zinc/81/98/40/537819840.db2.gz	SYGGZNXEXQFAGY-GOSISDBHSA-N	1	0	363.550	1.485	20	30		FDEDRO
C#CCOc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1	ZINC000371757057	537830115	/nfs/dbraw/zinc/83/01/15/537830115.db2.gz	JZHOESVJGOITOB-IBGZPJMESA-N	1	0	355.482	1.939	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)CC1	ZINC000410195834	537880460	/nfs/dbraw/zinc/88/04/60/537880460.db2.gz	NAYODHSIZHIBTI-ZBFHGGJFSA-N	1	0	372.535	1.044	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1C#N	ZINC000372179136	537893370	/nfs/dbraw/zinc/89/33/70/537893370.db2.gz	AXKSRRBOVOEAPW-INIZCTEOSA-N	1	0	362.499	1.267	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000367135278	537948218	/nfs/dbraw/zinc/94/82/18/537948218.db2.gz	JGTMDRUOXSGKFR-SJLPKXTDSA-N	1	0	364.515	1.824	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1	ZINC000367135741	537948702	/nfs/dbraw/zinc/94/87/02/537948702.db2.gz	PAZDENUSDAWROB-WMZOPIPTSA-N	1	0	364.515	1.824	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC2(C[C@H]2C(=O)N2CCCC2)CC1	ZINC000367555587	537961792	/nfs/dbraw/zinc/96/17/92/537961792.db2.gz	BORCXAIDCROWDK-CABCVRRESA-N	1	0	362.474	1.111	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]([NH2+]C)C2)cc1	ZINC000415294220	537992721	/nfs/dbraw/zinc/99/27/21/537992721.db2.gz	FLINBVOVPGXJGS-QGZVFWFLSA-N	1	0	370.453	1.260	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CC[C@H]([NH3+])C1)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000419206444	537992895	/nfs/dbraw/zinc/99/28/95/537992895.db2.gz	KYHQJXCWVPZARV-KUHUBIRLSA-N	1	0	362.433	1.962	20	30		FDEDRO
CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](CCC(=O)N(C)CCC#N)C1	ZINC000369044419	537997262	/nfs/dbraw/zinc/99/72/62/537997262.db2.gz	FDIBMNPWEJQTOV-CQSZACIVSA-N	1	0	360.462	1.053	20	30		FDEDRO
CN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1)C1(C#N)CCCCC1	ZINC000372692813	538003021	/nfs/dbraw/zinc/00/30/21/538003021.db2.gz	IKDOOHWNALWVBW-QZTJIDSGSA-N	1	0	362.518	1.904	20	30		FDEDRO
C#CCNC(=O)c1ccc(N(C)C2CC[NH+](Cc3ccncc3)CC2)nc1	ZINC000372704452	538004725	/nfs/dbraw/zinc/00/47/25/538004725.db2.gz	LKKTYAKFTILUCF-UHFFFAOYSA-N	1	0	363.465	1.940	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)C2)c(F)c1	ZINC000417582297	538055175	/nfs/dbraw/zinc/05/51/75/538055175.db2.gz	VDPAPIOQEREWBV-JSGCOSHPSA-N	1	0	369.391	1.948	20	30		FDEDRO
C[NH+](C)Cc1cccc(CNC(=O)N2CCC(n3cnc(C#N)n3)CC2)c1	ZINC000369721622	538055229	/nfs/dbraw/zinc/05/52/29/538055229.db2.gz	GANWSLZIONJFIK-UHFFFAOYSA-N	1	0	367.457	1.758	20	30		FDEDRO
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCO[C@@H](C[NH3+])C2)n1	ZINC000415455525	538058988	/nfs/dbraw/zinc/05/89/88/538058988.db2.gz	JQMWZASLNFVJAD-ZDUSSCGKSA-N	1	0	360.805	1.589	20	30		FDEDRO
N#Cc1ncc(C(F)(F)F)cc1N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000413121634	538060164	/nfs/dbraw/zinc/06/01/64/538060164.db2.gz	WNVYFNGCBTZXCQ-UHFFFAOYSA-N	1	0	367.375	1.716	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC[C@H]1[NH3+]	ZINC000415464212	538062703	/nfs/dbraw/zinc/06/27/03/538062703.db2.gz	RAJUQGQEEITANB-JOYOIKCWSA-N	1	0	370.331	1.591	20	30		FDEDRO
C=C(C)COCCNC(=O)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1	ZINC000419407625	538062835	/nfs/dbraw/zinc/06/28/35/538062835.db2.gz	WVKMTMQBXUABIL-SFHVURJKSA-N	1	0	355.438	1.665	20	30		FDEDRO
Cc1cc(S(=O)(=O)N2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)ccc1C#N	ZINC000373049485	538087242	/nfs/dbraw/zinc/08/72/42/538087242.db2.gz	NVIRIOZZENRPER-DLBZAZTESA-N	1	0	363.483	1.477	20	30		FDEDRO
C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000418588618	538095931	/nfs/dbraw/zinc/09/59/31/538095931.db2.gz	IAWMHDGMTRBJOI-KSSFIOAISA-N	1	0	369.469	1.916	20	30		FDEDRO
CN1CCC([NH+]2CCC(CCNC(=O)c3ccc(C#N)nc3)CC2)CC1	ZINC000371088225	538098620	/nfs/dbraw/zinc/09/86/20/538098620.db2.gz	COKXCSCCGZRSAQ-UHFFFAOYSA-N	1	0	355.486	1.879	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1	ZINC000371088695	538098838	/nfs/dbraw/zinc/09/88/38/538098838.db2.gz	OOXCZERJSWETIF-FRIZHTMISA-N	1	0	356.426	1.788	20	30		FDEDRO
Cc1ccc(-n2nc(CCCNC(=O)N[C@H](C)[C@H](C)[NH3+])c(C#N)c2N)cc1	ZINC000418698211	538099966	/nfs/dbraw/zinc/09/99/66/538099966.db2.gz	CPBCHUNKBYGGPB-UONOGXRCSA-N	1	0	369.473	1.602	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1	ZINC000419906250	538140173	/nfs/dbraw/zinc/14/01/73/538140173.db2.gz	WPHLVZIXGPTUSA-YJBOKZPZSA-N	1	0	372.469	1.038	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	ZINC000420112891	538224623	/nfs/dbraw/zinc/22/46/23/538224623.db2.gz	HWIWPCDFRQNXDP-BGTYHANMSA-N	1	0	354.454	1.399	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1	ZINC000424094868	538234888	/nfs/dbraw/zinc/23/48/88/538234888.db2.gz	VSOUCBADUCFDOI-KRWDZBQOSA-N	1	0	360.433	1.702	20	30		FDEDRO
Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@H]([NH3+])CCCC#N	ZINC000424116318	538238467	/nfs/dbraw/zinc/23/84/67/538238467.db2.gz	XJTXVQNPGPUUDH-GFCCVEGCSA-N	1	0	367.247	1.833	20	30		FDEDRO
CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H]([NH3+])CCCC#N	ZINC000424124114	538241600	/nfs/dbraw/zinc/24/16/00/538241600.db2.gz	LWQNKVQQSWYMHA-CYBMUJFWSA-N	1	0	368.459	1.295	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O	ZINC000424177463	538248814	/nfs/dbraw/zinc/24/88/14/538248814.db2.gz	UNHUHWQUMGYFQH-CHWSQXEVSA-N	1	0	368.359	1.948	20	30		FDEDRO
N#C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1	ZINC000424446101	538303430	/nfs/dbraw/zinc/30/34/30/538303430.db2.gz	HHVBWJAXLLRRBK-JOYOIKCWSA-N	1	0	354.332	1.911	20	30		FDEDRO
C=CCn1cc(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)nn1	ZINC000424483689	538311377	/nfs/dbraw/zinc/31/13/77/538311377.db2.gz	YQUIQHYOADTNSB-QZTJIDSGSA-N	1	0	370.457	1.418	20	30		FDEDRO
COC(=O)[C@]1(c2ccccc2)CC[N@H+](CC(=O)N(CCC#N)CCC#N)C1	ZINC000428821467	538318962	/nfs/dbraw/zinc/31/89/62/538318962.db2.gz	WOLWZOQBGHUACF-HXUWFJFHSA-N	1	0	368.437	1.459	20	30		FDEDRO
N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1	ZINC000446805981	538321351	/nfs/dbraw/zinc/32/13/51/538321351.db2.gz	JNHMGDNCGZXNNP-ZIAGYGMSSA-N	1	0	369.512	1.941	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)cc1	ZINC000441340972	538323176	/nfs/dbraw/zinc/32/31/76/538323176.db2.gz	RSWHBRUBCWRVLC-KSSFIOAISA-N	1	0	358.442	1.446	20	30		FDEDRO
COc1ccc(C#N)cc1CN1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1	ZINC000452050723	538355474	/nfs/dbraw/zinc/35/54/74/538355474.db2.gz	KQDPVMYZCFVVOH-AWEZNQCLSA-N	1	0	353.426	1.647	20	30		FDEDRO
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@H]1CCCC[N@@H+]1CCO	ZINC000452369930	538384024	/nfs/dbraw/zinc/38/40/24/538384024.db2.gz	FGDBCBNETGKHQA-RDTXWAMCSA-N	1	0	353.463	1.211	20	30		FDEDRO
N#Cc1ncc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1Cl	ZINC000453647517	538416171	/nfs/dbraw/zinc/41/61/71/538416171.db2.gz	WIKVOUVVXNPSPX-NSHDSACASA-N	1	0	361.833	1.678	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc2C1=O	ZINC000449724920	538427131	/nfs/dbraw/zinc/42/71/31/538427131.db2.gz	UTUZVKPPTUTVAY-LBPRGKRZSA-N	1	0	355.316	1.478	20	30		FDEDRO
COc1cc(CNC(=O)NC2CCN(CC[NH+](C)C)CC2)ccc1C#N	ZINC000460172083	538471865	/nfs/dbraw/zinc/47/18/65/538471865.db2.gz	NLICTFQTEJJPQC-UHFFFAOYSA-N	1	0	359.474	1.392	20	30		FDEDRO
Cc1cc(C(=O)NCc2ccncc2OCCC[NH+](C)C)ncc1C#N	ZINC000457816361	538519042	/nfs/dbraw/zinc/51/90/42/538519042.db2.gz	UHAGQCYIPQTFDM-UHFFFAOYSA-N	1	0	353.426	1.917	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NC[C@@H](C3CC3)[NH+](C)C)C2)n1	ZINC000471790127	538540636	/nfs/dbraw/zinc/54/06/36/538540636.db2.gz	UVDGPYLMNSTNHG-ROUUACIJSA-N	1	0	355.486	1.935	20	30		FDEDRO
C=CCOC[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)OC	ZINC000481750050	538551882	/nfs/dbraw/zinc/55/18/82/538551882.db2.gz	NGCTXEWYHZCYFJ-QZTJIDSGSA-N	1	0	360.454	1.759	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](C(=O)OCC)C3(COC3)C2)CC1	ZINC000454460400	538557871	/nfs/dbraw/zinc/55/78/71/538557871.db2.gz	IPFSYHIUUZTCAR-MRXNPFEDSA-N	1	0	365.474	1.248	20	30		FDEDRO
CC[NH+](CC)C[C@H](C)NC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1	ZINC000472096452	538578240	/nfs/dbraw/zinc/57/82/40/538578240.db2.gz	KOMMLLJIUJGFJP-AWEZNQCLSA-N	1	0	361.494	1.162	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CC[C@H]1CCCC[N@@H+]1C	ZINC000500938848	538581331	/nfs/dbraw/zinc/58/13/31/538581331.db2.gz	FUDSEGDMFDVSFT-JKSUJKDBSA-N	1	0	356.474	1.650	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1	ZINC000501110004	538623290	/nfs/dbraw/zinc/62/32/90/538623290.db2.gz	RXWJWDSNHUPNFX-FUHIMQAGSA-N	1	0	361.534	1.285	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@H](C)n1cnc(C#N)n1	ZINC000467261288	538635809	/nfs/dbraw/zinc/63/58/09/538635809.db2.gz	UGBIESPLEDDPNU-DOTOQJQBSA-N	1	0	367.457	1.619	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1CCN(C(=O)NCC)C1)C(C)C	ZINC000472474161	538644462	/nfs/dbraw/zinc/64/44/62/538644462.db2.gz	ZLMBGEQJBRDNFU-SJORKVTESA-N	1	0	365.522	1.788	20	30		FDEDRO
CS[C@@H]1CN(C(=O)CCc2c(C)nn(CCC#N)c2C)C[C@H]1[NH+](C)C	ZINC000495565331	538672211	/nfs/dbraw/zinc/67/22/11/538672211.db2.gz	OCBFXRHYDNOMAI-IAGOWNOFSA-N	1	0	363.531	1.850	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3C[C@H](SC)[C@@H]([NH+](C)C)C3)cc2C1=O	ZINC000495681985	538678919	/nfs/dbraw/zinc/67/89/19/538678919.db2.gz	MTRQQAAUZPYZNP-HOTGVXAUSA-N	1	0	373.478	1.586	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)CC1	ZINC000485090520	538825696	/nfs/dbraw/zinc/82/56/96/538825696.db2.gz	MGSNHVCUVCYCDH-UHFFFAOYSA-N	1	0	365.393	1.249	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1C#N	ZINC000489699336	538837279	/nfs/dbraw/zinc/83/72/79/538837279.db2.gz	GWHDSTFMVJCLAB-HYVNUMGLSA-N	1	0	364.471	1.134	20	30		FDEDRO
CC(C)[C@@H]([NH2+]CC#Cc1ccccc1)C(=O)N(C)Cc1nnc2n1CCC2	ZINC000471025261	538843241	/nfs/dbraw/zinc/84/32/41/538843241.db2.gz	KGSKWIABTAZXGR-HXUWFJFHSA-N	1	0	365.481	1.849	20	30		FDEDRO
Cc1cc(C#N)nc(NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)n1	ZINC000561141385	545707759	/nfs/dbraw/zinc/70/77/59/545707759.db2.gz	PIBLMEXYXJIMIA-IBGZPJMESA-N	1	0	350.470	2.447	20	30		FDEDRO
N#Cc1ccncc1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1	ZINC000561224831	545757455	/nfs/dbraw/zinc/75/74/55/545757455.db2.gz	HLQVZVHJYBKQNP-UHFFFAOYSA-N	1	0	350.422	1.840	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@@H]2COc3ccccc32)CC1	ZINC000561412341	545836488	/nfs/dbraw/zinc/83/64/88/545836488.db2.gz	BZOSCEWVVDAMER-PBHICJAKSA-N	1	0	357.454	1.434	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCO[C@@H](C(C)C)C2)CC1	ZINC000561412996	545837910	/nfs/dbraw/zinc/83/79/10/545837910.db2.gz	WKJJSIJYGWGWEU-IAGOWNOFSA-N	1	0	351.491	1.463	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(C#N)cc1F	ZINC000562057509	546023657	/nfs/dbraw/zinc/02/36/57/546023657.db2.gz	JASAOLGRKZHFFC-TZMCWYRMSA-N	1	0	354.451	1.619	20	30		FDEDRO
N#Cc1cccnc1OC1CCC(NC(=O)N2CCCO[C@@H](C[NH3+])C2)CC1	ZINC000562813942	546280975	/nfs/dbraw/zinc/28/09/75/546280975.db2.gz	JKNOSCYSURVHCP-JCYILVPMSA-N	1	0	373.457	1.402	20	30		FDEDRO
CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000562993904	546346257	/nfs/dbraw/zinc/34/62/57/546346257.db2.gz	RDYGFLAGDQAQCJ-GDBMZVCRSA-N	1	0	370.496	1.277	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1Br	ZINC000563129239	546417547	/nfs/dbraw/zinc/41/75/47/546417547.db2.gz	GUSBSIJBFNRYBA-FZMZJTMJSA-N	1	0	370.272	1.693	20	30		FDEDRO
C=CC[C@@H](CO)C[NH2+]CCS(=O)(=O)c1cccc(Br)c1	ZINC000563137077	546420010	/nfs/dbraw/zinc/42/00/10/546420010.db2.gz	ANROHRKQESCQLO-GFCCVEGCSA-N	1	0	362.289	1.997	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)ncc1C#N	ZINC000563373536	546505962	/nfs/dbraw/zinc/50/59/62/546505962.db2.gz	IQFOPSCRGKIAOJ-HNNXBMFYSA-N	1	0	357.458	1.971	20	30		FDEDRO
N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1	ZINC000563432569	546532426	/nfs/dbraw/zinc/53/24/26/546532426.db2.gz	IERNDFNZXIFGCG-CABZTGNLSA-N	1	0	361.327	1.272	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)NCC[C@@H]3CC[NH2+]C3)C2)c(F)c1	ZINC000563568398	546592499	/nfs/dbraw/zinc/59/24/99/546592499.db2.gz	LBBOFBWAHFUWSS-HOCLYGCPSA-N	1	0	359.449	1.965	20	30		FDEDRO
CN(CCOCc1ccc(C#N)cc1)CC(=O)NC1CC[NH+](C2CC2)CC1	ZINC000564152801	546824091	/nfs/dbraw/zinc/82/40/91/546824091.db2.gz	REUWLJAWKFTBEM-UHFFFAOYSA-N	1	0	370.497	1.750	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H](CO)c1ccc(Br)c(F)c1	ZINC000564210317	546846143	/nfs/dbraw/zinc/84/61/43/546846143.db2.gz	AVXHVHZCVYWALW-DOMZBBRYSA-N	1	0	374.254	1.418	20	30		FDEDRO
N#Cc1ccc(OCC[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cc1	ZINC000564753136	547025698	/nfs/dbraw/zinc/02/56/98/547025698.db2.gz	BGQJSEXCBFYGIJ-MRXNPFEDSA-N	1	0	363.483	1.731	20	30		FDEDRO
CCn1cc([C@H]2OCC[C@@H]2[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)cn1	ZINC000564871998	547076386	/nfs/dbraw/zinc/07/63/86/547076386.db2.gz	GSIGRJOIGGYXKV-YZGWKJHDSA-N	1	0	370.453	1.829	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](CC(=O)N(CC)CC)CC1	ZINC000565198527	547248915	/nfs/dbraw/zinc/24/89/15/547248915.db2.gz	VCVBNCSVUZISSP-SJORKVTESA-N	1	0	351.491	1.417	20	30		FDEDRO
C[NH+](C)[C@H]1CN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C[C@@H]1O	ZINC000565430541	547347254	/nfs/dbraw/zinc/34/72/54/547347254.db2.gz	DCWORLQSXSTTEF-IRXDYDNUSA-N	1	0	352.394	1.492	20	30		FDEDRO
CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2OC)C1	ZINC000565573936	547401964	/nfs/dbraw/zinc/40/19/64/547401964.db2.gz	XFRMFKFRHGUEQM-OAHLLOKOSA-N	1	0	358.442	1.696	20	30		FDEDRO
CN1CC[N@H+](CCCNC(=O)[C@@H]([NH3+])CCCC#N)[C@H](c2ccccc2)C1	ZINC000565713668	547451932	/nfs/dbraw/zinc/45/19/32/547451932.db2.gz	JFUAOWITKHCHLL-OALUTQOASA-N	1	0	357.502	1.503	20	30		FDEDRO
Cc1csc(NC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1C#N	ZINC000565841760	547504505	/nfs/dbraw/zinc/50/45/05/547504505.db2.gz	KGLJOYGJIWVIGB-CQSZACIVSA-N	1	0	363.487	1.992	20	30		FDEDRO
N#Cc1cnn2cc(CN3CCC[C@H]3C(=O)NCc3ccco3)cnc12	ZINC000565892396	547523414	/nfs/dbraw/zinc/52/34/14/547523414.db2.gz	GJNLSPHJVZQNCG-INIZCTEOSA-N	1	0	350.382	1.475	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]CCC2CCS(=O)(=O)CC2)c1	ZINC000566111508	547608666	/nfs/dbraw/zinc/60/86/66/547608666.db2.gz	HKXMHIWLBYWICD-UHFFFAOYSA-N	1	0	370.496	1.136	20	30		FDEDRO
C[C@@H]([NH3+])C[C@H](C)NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000566194118	547652317	/nfs/dbraw/zinc/65/23/17/547652317.db2.gz	ZYXKDYCERKQBFI-KGLIPLIRSA-N	1	0	369.473	1.684	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)s1	ZINC000566501369	547784376	/nfs/dbraw/zinc/78/43/76/547784376.db2.gz	HJTGPUGXQXVPAW-OCCSQVGLSA-N	1	0	355.485	1.527	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC[N@@H+](C2CC2)C1	ZINC000566544022	547799830	/nfs/dbraw/zinc/79/98/30/547799830.db2.gz	OBLWGSHAEASYTC-AWEZNQCLSA-N	1	0	364.453	1.882	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)NCCC[NH2+]Cc2cccnc2)cc1	ZINC000566561579	547808098	/nfs/dbraw/zinc/80/80/98/547808098.db2.gz	JXSUGCZTTXXSSR-UHFFFAOYSA-N	1	0	365.437	1.060	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1	ZINC000566673466	547847479	/nfs/dbraw/zinc/84/74/79/547847479.db2.gz	NJPURPFPXQKTLS-NVXWUHKLSA-N	1	0	368.499	1.026	20	30		FDEDRO
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)Nc2cccc(C#N)n2)CC1	ZINC000566736736	547868831	/nfs/dbraw/zinc/86/88/31/547868831.db2.gz	LRVQSXHCGLKZEC-HZPDHXFCSA-N	1	0	356.474	1.976	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H](O)COc2ccc(F)cc2)cc1	ZINC000566933844	547936416	/nfs/dbraw/zinc/93/64/16/547936416.db2.gz	VMOGRFREUUWAOU-IRXDYDNUSA-N	1	0	360.385	1.467	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1	ZINC000566963383	547945891	/nfs/dbraw/zinc/94/58/91/547945891.db2.gz	WEBZALXXOZINRF-VQHPVUNQSA-N	1	0	364.490	1.010	20	30		FDEDRO
N#Cc1c(C#N)c(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)nc2c1CCCCCC2	ZINC000567179322	548024610	/nfs/dbraw/zinc/02/46/10/548024610.db2.gz	CYUSHCOYCCOBDT-DYVFJYSZSA-N	1	0	364.453	1.232	20	30		FDEDRO
CCn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2cnc3c(C#N)cnn3c2)cn1	ZINC000567386739	548101652	/nfs/dbraw/zinc/10/16/52/548101652.db2.gz	BPDQBQRMOXXXCA-DLBZAZTESA-N	1	0	351.414	1.827	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CCN1Cc1ccccc1	ZINC000567573002	548165217	/nfs/dbraw/zinc/16/52/17/548165217.db2.gz	NARPZBRMJBDYGP-HSALFYBXSA-N	1	0	367.497	1.794	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)N1CCC[C@H](C[NH3+])C1	ZINC000567650940	548194820	/nfs/dbraw/zinc/19/48/20/548194820.db2.gz	FBDZJTWBWQMKQW-KBAYOESNSA-N	1	0	354.454	1.482	20	30		FDEDRO
Cn1nccc1N1CCC[C@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000567700384	548219131	/nfs/dbraw/zinc/21/91/31/548219131.db2.gz	KZOGQMKGHPYNEB-DLBZAZTESA-N	1	0	355.442	1.290	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2cccc(OC(C)(C)C)n2)CC1	ZINC000568097335	548396739	/nfs/dbraw/zinc/39/67/39/548396739.db2.gz	ZXNLDYXPEDQMIO-UHFFFAOYSA-N	1	0	374.485	1.642	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCCC[C@H]2OC(F)F)nc1	ZINC000568440246	548538203	/nfs/dbraw/zinc/53/82/03/548538203.db2.gz	RCEKPWONZLEVIK-CHWSQXEVSA-N	1	0	359.398	1.867	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)cc1	ZINC000568511451	548568153	/nfs/dbraw/zinc/56/81/53/548568153.db2.gz	MTLZGILHYYUJGP-UHFFFAOYSA-N	1	0	366.396	1.792	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)cc1	ZINC000568579355	548591570	/nfs/dbraw/zinc/59/15/70/548591570.db2.gz	QVBKAWFFPGPHNW-QGZVFWFLSA-N	1	0	363.483	1.824	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]C[C@@H]3CN(Cc4ccccc4)CCO3)cnc12	ZINC000568888669	548722231	/nfs/dbraw/zinc/72/22/31/548722231.db2.gz	ZWCNUZIXYOERAD-LJQANCHMSA-N	1	0	362.437	1.592	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)NCC[C@H]3CCC[N@H+](C)C3)CC2)c1C#N	ZINC000569325297	548874990	/nfs/dbraw/zinc/87/49/90/548874990.db2.gz	KAGAULAWZAPZBA-MRXNPFEDSA-N	1	0	373.505	1.164	20	30		FDEDRO
N#Cc1cccc(OCCCN2C(=O)N[C@@]3(CCCC[C@H]3C[NH3+])C2=O)c1	ZINC000569452299	548922530	/nfs/dbraw/zinc/92/25/30/548922530.db2.gz	IVNDBHVISFKXKZ-HNAYVOBHSA-N	1	0	356.426	1.767	20	30		FDEDRO
CN(C)[C@H](CNC(=O)N1CCN(c2cnccc2C#N)CC1)c1ccco1	ZINC000569661768	548998559	/nfs/dbraw/zinc/99/85/59/548998559.db2.gz	HLECWLCAALOWPK-QGZVFWFLSA-N	1	0	368.441	1.681	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000569787792	549046033	/nfs/dbraw/zinc/04/60/33/549046033.db2.gz	VDAXBCMWYPSHTM-AWEZNQCLSA-N	1	0	359.474	1.900	20	30		FDEDRO
CN(C)C1(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CCCCC1	ZINC000569885878	549082170	/nfs/dbraw/zinc/08/21/70/549082170.db2.gz	PBSOEEZZLLJZFK-UHFFFAOYSA-N	1	0	350.488	1.581	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)C[C@H]2CCCC[C@H]2O)CC1	ZINC000569996143	549123707	/nfs/dbraw/zinc/12/37/07/549123707.db2.gz	IGZLPSFPEZFDBL-NVXWUHKLSA-N	1	0	351.491	1.153	20	30		FDEDRO
CN1CC[NH+](Cc2ccc(NCc3cnc4c(C#N)cnn4c3)cc2)CC1	ZINC000570298093	549230524	/nfs/dbraw/zinc/23/05/24/549230524.db2.gz	SNNRRFDFPIZBFV-UHFFFAOYSA-N	1	0	361.453	1.960	20	30		FDEDRO
N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1	ZINC000570464086	549289993	/nfs/dbraw/zinc/28/99/93/549289993.db2.gz	LAHBWUYMXFOALK-GXFFZTMASA-N	1	0	359.792	1.647	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1	ZINC000570542751	549317791	/nfs/dbraw/zinc/31/77/91/549317791.db2.gz	SXKMIYRCGINGRZ-AEFFLSMTSA-N	1	0	359.470	1.427	20	30		FDEDRO
CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1	ZINC000570792700	549412383	/nfs/dbraw/zinc/41/23/83/549412383.db2.gz	IGMGYIXMRKEBSW-MRXNPFEDSA-N	1	0	369.469	1.066	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CC(=O)N(C3CC3)C2)c(OC)c1	ZINC000570955750	549475028	/nfs/dbraw/zinc/47/50/28/549475028.db2.gz	GNTYDYKUZZUUTN-RDJZCZTQSA-N	1	0	360.454	1.516	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000571031044	549499363	/nfs/dbraw/zinc/49/93/63/549499363.db2.gz	HBGOYGXIKABOCF-BMGDILEWSA-N	1	0	369.469	1.570	20	30		FDEDRO
CO[C@H](CS(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)C1CC1	ZINC000571399700	549630924	/nfs/dbraw/zinc/63/09/24/549630924.db2.gz	FYGPYFCNBLDFHL-GOSISDBHSA-N	1	0	365.499	1.677	20	30		FDEDRO
N#Cc1c(CN2C(=O)N[C@@]3(CCCC[C@H]3C[NH3+])C2=O)cn2ccccc12	ZINC000571878966	549789893	/nfs/dbraw/zinc/78/98/93/549789893.db2.gz	XAYINEXOCKARRO-IFXJQAMLSA-N	1	0	351.410	1.750	20	30		FDEDRO
CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(CC(=O)N(C)C2(C#N)CCCCC2)C1	ZINC000572386506	549903491	/nfs/dbraw/zinc/90/34/91/549903491.db2.gz	JWEZLUADXJSAEP-ROUUACIJSA-N	1	0	362.518	1.856	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)N3CCC(CC[NH3+])CC3)CC2)cc1	ZINC000572729734	549982072	/nfs/dbraw/zinc/98/20/72/549982072.db2.gz	MKROKNZXJBURDB-UHFFFAOYSA-N	1	0	366.465	1.761	20	30		FDEDRO
CN1CCN(S(=O)(=O)c2ccccc2C[NH2+][C@H]2CC[C@H](C#N)C2)CC1	ZINC000572804352	549997953	/nfs/dbraw/zinc/99/79/53/549997953.db2.gz	UJZSTYCOMXYFAY-RDJZCZTQSA-N	1	0	362.499	1.405	20	30		FDEDRO
COCCN(C[C@H]1CC[C@H](C[NH3+])CC1)S(=O)(=O)c1ccc(C#N)cc1	ZINC000572869879	550014079	/nfs/dbraw/zinc/01/40/79/550014079.db2.gz	VJAZECMIXCIVON-JCNLHEQBSA-N	1	0	365.499	1.960	20	30		FDEDRO
C/C=C/c1ccc(OC[C@H](O)C[NH2+]CCn2cnc(C#N)n2)c(OC)c1	ZINC000573199773	550085009	/nfs/dbraw/zinc/08/50/09/550085009.db2.gz	FBOZVAKOVMBZAM-NHZBNJEXSA-N	1	0	357.414	1.221	20	30		FDEDRO
C[C@H]1Cc2ccccc2N1CC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000573357604	550119793	/nfs/dbraw/zinc/11/97/93/550119793.db2.gz	DVTHSMAFMJBXMY-HNNXBMFYSA-N	1	0	370.478	1.768	20	30		FDEDRO
N#Cc1cccnc1-n1cc(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cn1	ZINC000573783990	550210127	/nfs/dbraw/zinc/21/01/27/550210127.db2.gz	YOAHFBFEEPTHOV-SOUVJXGZSA-N	1	0	351.414	1.649	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCn2cnc3ccccc32)nc1	ZINC000574236058	550280243	/nfs/dbraw/zinc/28/02/43/550280243.db2.gz	CCYOUWVYHAAAPZ-UHFFFAOYSA-N	1	0	355.423	1.366	20	30		FDEDRO
C=CCNC(=O)CN1CCN(c2ccc(Br)c(C)n2)CC1	ZINC000574434655	550313690	/nfs/dbraw/zinc/31/36/90/550313690.db2.gz	MBPXBAOIRJAOCD-UHFFFAOYSA-N	1	0	353.264	1.577	20	30		FDEDRO
N#Cc1ccccc1-c1ccc(CNC(=O)NCCN2CC[NH2+]CC2)cc1	ZINC000574742222	550362802	/nfs/dbraw/zinc/36/28/02/550362802.db2.gz	YXTAVNGQVDSRJQ-UHFFFAOYSA-N	1	0	363.465	1.930	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(C)n(C)c2=O)c(OC)c1	ZINC000574803766	550373344	/nfs/dbraw/zinc/37/33/44/550373344.db2.gz	MUEFGNFPGZDWBM-SFHVURJKSA-N	1	0	372.465	1.960	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CNS(=O)(=O)c2cc(C)ccc2C)CC1	ZINC000574849060	550380292	/nfs/dbraw/zinc/38/02/92/550380292.db2.gz	GLNWKMMUVJCQEM-UHFFFAOYSA-N	1	0	365.499	1.348	20	30		FDEDRO
C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2ccc(CC#N)cc2)C1	ZINC000574875568	550384964	/nfs/dbraw/zinc/38/49/64/550384964.db2.gz	TWDPVNCLGBQZLA-MRXNPFEDSA-N	1	0	370.497	1.996	20	30		FDEDRO
C[NH+]1CCC(CCNC(=O)N2CCN(c3cnccc3C#N)CC2)CC1	ZINC000575110935	550427686	/nfs/dbraw/zinc/42/76/86/550427686.db2.gz	FRQGXIIHAUXVRG-UHFFFAOYSA-N	1	0	356.474	1.517	20	30		FDEDRO
COc1ccc(Cl)cc1N1CC[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)C1	ZINC000575248418	550449599	/nfs/dbraw/zinc/44/95/99/550449599.db2.gz	GUQIOHPAIZOUHY-HOTGVXAUSA-N	1	0	366.893	1.723	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)ncc1C#N	ZINC000576120483	550513000	/nfs/dbraw/zinc/51/30/00/550513000.db2.gz	HKLAAHVOOYOSFD-UHFFFAOYSA-N	1	0	355.442	1.723	20	30		FDEDRO
N#Cc1cc(NC(=O)NC[C@@H]2C[NH2+]CCCO2)ccc1OC(F)(F)F	ZINC000576609905	550567847	/nfs/dbraw/zinc/56/78/47/550567847.db2.gz	YDWCXODOXPQAMF-LBPRGKRZSA-N	1	0	358.320	1.957	20	30		FDEDRO
Cc1ccc([C@@H](CN2CCOCC2)[NH2+]C[C@@H](O)CN(C)CCC#N)cc1	ZINC000576958846	550604730	/nfs/dbraw/zinc/60/47/30/550604730.db2.gz	UOELHBWOSONPDM-WOJBJXKFSA-N	1	0	360.502	1.164	20	30		FDEDRO
CC(C)(C)[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CCO1	ZINC000577097402	550620201	/nfs/dbraw/zinc/62/02/01/550620201.db2.gz	FUMOMVNIVPKUSC-HUUCEWRRSA-N	1	0	351.472	1.910	20	30		FDEDRO
CC1(C)CC(NC(=O)C(=O)NCc2ccc(CC#N)cc2)CC(C)(C)[NH2+]1	ZINC000577107393	550621080	/nfs/dbraw/zinc/62/10/80/550621080.db2.gz	XXDKJKIVFZUJBK-UHFFFAOYSA-N	1	0	356.470	1.794	20	30		FDEDRO
C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)N1CCOCC1	ZINC000577171664	550627706	/nfs/dbraw/zinc/62/77/06/550627706.db2.gz	BHWDTGVVIZCERI-CABCVRRESA-N	1	0	351.472	1.031	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(c2cnccc2C#N)CC1)C[NH+]1CCCC1	ZINC000577327486	550644187	/nfs/dbraw/zinc/64/41/87/550644187.db2.gz	OAGMZKOSMHCTNP-MRXNPFEDSA-N	1	0	356.474	1.517	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCOc2ccc(C)cc2C)CC1	ZINC000577394241	550651767	/nfs/dbraw/zinc/65/17/67/550651767.db2.gz	JNLWZECNHSYNGC-UHFFFAOYSA-N	1	0	359.470	1.565	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1	ZINC000577494406	550662696	/nfs/dbraw/zinc/66/26/96/550662696.db2.gz	RTPAYIGDTGEFER-GOSISDBHSA-N	1	0	363.483	1.367	20	30		FDEDRO
C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NCc2ccc(CC#N)cc2)C1	ZINC000577508701	550664587	/nfs/dbraw/zinc/66/45/87/550664587.db2.gz	WSORSXWPOXRMSQ-QGZVFWFLSA-N	1	0	370.497	1.997	20	30		FDEDRO
N#Cc1cc2c(n(CCn3cncn3)c1=O)CC[N@@H+](Cc1ccccc1)C2	ZINC000577627913	550677602	/nfs/dbraw/zinc/67/76/02/550677602.db2.gz	LQIAJAYITYUIJJ-UHFFFAOYSA-N	1	0	360.421	1.570	20	30		FDEDRO
N#CCc1ccc(CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1	ZINC000577725173	550687905	/nfs/dbraw/zinc/68/79/05/550687905.db2.gz	GZXNVWCKDWORHZ-QGZVFWFLSA-N	1	0	357.458	1.139	20	30		FDEDRO
N#CCCC1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CC1	ZINC000577730340	550688838	/nfs/dbraw/zinc/68/88/38/550688838.db2.gz	OHVQGWPTWPRUNI-QZTJIDSGSA-N	1	0	360.502	1.909	20	30		FDEDRO
N#Cc1ccc(NC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1	ZINC000578483269	550768155	/nfs/dbraw/zinc/76/81/55/550768155.db2.gz	JLNZHKJAIFUTQW-WBVHZDCISA-N	1	0	355.442	1.670	20	30		FDEDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cnn(CCC#N)c1-c1ccccc1	ZINC000579369294	550866445	/nfs/dbraw/zinc/86/64/45/550866445.db2.gz	GGAYCHGKJUKYMD-KRWDZBQOSA-N	1	0	366.469	1.439	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2Cc2ccccc2)CC1	ZINC000579575832	550887740	/nfs/dbraw/zinc/88/77/40/550887740.db2.gz	VOVNUCRQNJPPBP-IBGZPJMESA-N	1	0	355.482	1.987	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H](CCO)c2ccccc2)nc1	ZINC000579592698	550890147	/nfs/dbraw/zinc/89/01/47/550890147.db2.gz	CPTBKDKFMMMYHQ-KRWDZBQOSA-N	1	0	359.451	1.483	20	30		FDEDRO
C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000579688585	550899450	/nfs/dbraw/zinc/89/94/50/550899450.db2.gz	SBYKXVFBNWIDAC-FZMZJTMJSA-N	1	0	372.404	2.118	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)n2)c(F)c1	ZINC000579688601	550899477	/nfs/dbraw/zinc/89/94/77/550899477.db2.gz	UJDLTOCCRKOBDH-QLFBSQMISA-N	1	0	368.416	2.393	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]CCCS(=O)(=O)c2ccccc2)cc1	ZINC000579700772	550900855	/nfs/dbraw/zinc/90/08/55/550900855.db2.gz	LSNGFIBOQIPKSI-KRWDZBQOSA-N	1	0	374.462	1.752	20	30		FDEDRO
O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(F)c(F)c(F)c1F	ZINC000579826349	550914344	/nfs/dbraw/zinc/91/43/44/550914344.db2.gz	JKDWOAONKNDKTO-VIFPVBQESA-N	1	0	373.272	1.809	20	30		FDEDRO
C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000579860752	550918001	/nfs/dbraw/zinc/91/80/01/550918001.db2.gz	QXTKYZCGGATMMC-OAHLLOKOSA-N	1	0	354.454	1.684	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)CC2)cc1	ZINC000579942129	550926054	/nfs/dbraw/zinc/92/60/54/550926054.db2.gz	BBHUAMDIYRPEJY-RBUKOAKNSA-N	1	0	364.449	1.242	20	30		FDEDRO
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1	ZINC000579973851	550930063	/nfs/dbraw/zinc/93/00/63/550930063.db2.gz	OADYWMSXLQYGOC-MGPQQGTHSA-N	1	0	373.482	1.857	20	30		FDEDRO
N#Cc1nc(N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)ccc1C(F)(F)F	ZINC000580755266	551014728	/nfs/dbraw/zinc/01/47/28/551014728.db2.gz	QZYUFZPCNXQYES-GFCCVEGCSA-N	1	0	367.375	1.763	20	30		FDEDRO
COc1ccc(C2(C[NH2+]C[C@H](O)CN(C)CCC#N)CCOCC2)cc1	ZINC000581713647	551125950	/nfs/dbraw/zinc/12/59/50/551125950.db2.gz	ZJNVUPWNSHTHKW-SFHVURJKSA-N	1	0	361.486	1.539	20	30		FDEDRO
CN1CC[NH2+]C[C@@H]1CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	ZINC000581775167	551134387	/nfs/dbraw/zinc/13/43/87/551134387.db2.gz	SGFJOEAVERCAHJ-MRXNPFEDSA-N	1	0	366.425	1.771	20	30		FDEDRO
CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000581809601	551135583	/nfs/dbraw/zinc/13/55/83/551135583.db2.gz	OEUQWKGMDYNMKO-XYJFISCASA-N	1	0	366.483	1.438	20	30		FDEDRO
C=CCNC(=O)CN1CCN(c2nnc(CC3CCCCC3)n2CC)CC1	ZINC000581836844	551138961	/nfs/dbraw/zinc/13/89/61/551138961.db2.gz	RFSREYLTDOACND-UHFFFAOYSA-N	1	0	374.533	1.845	20	30		FDEDRO
CN(C)[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1cccs1	ZINC000581968311	551156661	/nfs/dbraw/zinc/15/66/61/551156661.db2.gz	BWERLJYRQCJXCF-AWEZNQCLSA-N	1	0	364.496	1.681	20	30		FDEDRO
N#CCCC1CCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1	ZINC000582121127	551179244	/nfs/dbraw/zinc/17/92/44/551179244.db2.gz	QMVKGQAUWYYJBG-UHFFFAOYSA-N	1	0	352.398	1.748	20	30		FDEDRO
N#Cc1cccc(OCC[N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c1	ZINC000582509500	551234498	/nfs/dbraw/zinc/23/44/98/551234498.db2.gz	HALTVVQEFIASGH-INIZCTEOSA-N	1	0	363.483	1.731	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]C[C@]3(CO)C[C@@H]3c3ccc(F)cc3)cnc12	ZINC000582665773	551253899	/nfs/dbraw/zinc/25/38/99/551253899.db2.gz	AGWZWBRQGLRXQX-MJGOQNOKSA-N	1	0	351.385	1.996	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1	ZINC000583259412	551326590	/nfs/dbraw/zinc/32/65/90/551326590.db2.gz	YVUBDQYADHATKC-RHSMWYFYSA-N	1	0	370.453	1.137	20	30		FDEDRO
CN1C[C@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)CCC1=O	ZINC000583389821	551344522	/nfs/dbraw/zinc/34/45/22/551344522.db2.gz	XRKIJLPDEQBNQY-GFCCVEGCSA-N	1	0	360.483	1.990	20	30		FDEDRO
Cc1nnc([C@@H]2CC[N@@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)[nH]1	ZINC000583739106	551394387	/nfs/dbraw/zinc/39/43/87/551394387.db2.gz	ALKYYCHRKGDEDW-WBVHZDCISA-N	1	0	350.426	1.970	20	30		FDEDRO
CC(C)[NH2+]CCCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000584040951	551437845	/nfs/dbraw/zinc/43/78/45/551437845.db2.gz	HUGGMNZHATYPBX-UHFFFAOYSA-N	1	0	367.247	1.764	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NCC[C@@H]3CCC[N@@H+](C)C3)cc2C1=O	ZINC000584216765	551464914	/nfs/dbraw/zinc/46/49/14/551464914.db2.gz	CVEAHHBOIZCGQH-AWEZNQCLSA-N	1	0	355.438	1.930	20	30		FDEDRO
C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1	ZINC000585800894	551606958	/nfs/dbraw/zinc/60/69/58/551606958.db2.gz	RWCNTFSLPVBXQU-GGPKGHCWSA-N	1	0	357.454	1.426	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1	ZINC000586778617	551618640	/nfs/dbraw/zinc/61/86/40/551618640.db2.gz	CLXOWIFRCLXIJK-ZMSDIMECSA-N	1	0	372.387	1.985	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1	ZINC000586812522	551621384	/nfs/dbraw/zinc/62/13/84/551621384.db2.gz	BPCBXYNRJAGXLT-QGZVFWFLSA-N	1	0	361.511	1.755	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1cccc(C#N)c1	ZINC000587742015	551635645	/nfs/dbraw/zinc/63/56/45/551635645.db2.gz	ZPWLSBCUUVTGRY-QGTPRVQTSA-N	1	0	354.454	1.678	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](CC(N)=O)C2)cc1	ZINC000588977786	551702556	/nfs/dbraw/zinc/70/25/56/551702556.db2.gz	UUQJHJGVJKSJJC-OAHLLOKOSA-N	1	0	358.442	1.529	20	30		FDEDRO
CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(O)cc(C#N)c1	ZINC000589208146	551717122	/nfs/dbraw/zinc/71/71/22/551717122.db2.gz	VUGQJORXNQDYHU-NRFANRHFSA-N	1	0	365.433	1.973	20	30		FDEDRO
CCOCC(C)(C)[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000590187060	551764287	/nfs/dbraw/zinc/76/42/87/551764287.db2.gz	OCAKKQADVFMMNJ-HNNXBMFYSA-N	1	0	364.515	1.862	20	30		FDEDRO
C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CC2(C#N)CC2)c1	ZINC000590327490	551774113	/nfs/dbraw/zinc/77/41/13/551774113.db2.gz	YDPCSGHAACPFLG-UHFFFAOYSA-N	1	0	350.444	1.159	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000590333847	551774293	/nfs/dbraw/zinc/77/42/93/551774293.db2.gz	SVWJVAKFJFKJQT-NRFANRHFSA-N	1	0	364.449	1.971	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C	ZINC000590402211	551780794	/nfs/dbraw/zinc/78/07/94/551780794.db2.gz	AEUIQOCGURLNKV-RHSMWYFYSA-N	1	0	354.458	1.701	20	30		FDEDRO
N#Cc1cc(Br)cnc1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000590688620	551805741	/nfs/dbraw/zinc/80/57/41/551805741.db2.gz	YFVUBJNIRCQESO-UONOGXRCSA-N	1	0	351.248	1.751	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1	ZINC000590781297	551815867	/nfs/dbraw/zinc/81/58/67/551815867.db2.gz	PRZUPJZHXILYPU-SFHVURJKSA-N	1	0	370.453	1.519	20	30		FDEDRO
Cc1cc(C(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)ncc1C#N	ZINC000590902642	551825986	/nfs/dbraw/zinc/82/59/86/551825986.db2.gz	DUEAQIZHQUHIQN-UHFFFAOYSA-N	1	0	351.410	1.805	20	30		FDEDRO
Cn1cnc(CCNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1	ZINC000590947997	551828757	/nfs/dbraw/zinc/82/87/57/551828757.db2.gz	IQNVVNAYVOEJAC-UHFFFAOYSA-N	1	0	366.469	1.752	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1	ZINC000590982166	551832135	/nfs/dbraw/zinc/83/21/35/551832135.db2.gz	VVQNAUZOXPLKJX-UHFFFAOYSA-N	1	0	356.470	1.849	20	30		FDEDRO
C=CCOCC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000591170063	551848675	/nfs/dbraw/zinc/84/86/75/551848675.db2.gz	DWTMYCIFDMNBLU-SFHVURJKSA-N	1	0	358.486	1.645	20	30		FDEDRO
N#C[C@]1(F)CCN(C(=O)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1	ZINC000591286383	551856266	/nfs/dbraw/zinc/85/62/66/551856266.db2.gz	CQIYFFRGAFLWSP-CQSZACIVSA-N	1	0	358.295	1.567	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)n1	ZINC000591297521	551857939	/nfs/dbraw/zinc/85/79/39/551857939.db2.gz	ZBCUREIYGIWTNP-LJQANCHMSA-N	1	0	368.416	2.490	20	30		FDEDRO
CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	ZINC000591299947	551858168	/nfs/dbraw/zinc/85/81/68/551858168.db2.gz	XMCBLVGNJRMOAZ-UHFFFAOYSA-N	1	0	367.409	1.800	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCCC[NH2+]2)cc1	ZINC000591301839	551858320	/nfs/dbraw/zinc/85/83/20/551858320.db2.gz	QYRRDRVLVCHKEQ-GXTWGEPZSA-N	1	0	350.444	1.636	20	30		FDEDRO
C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000591306248	551859813	/nfs/dbraw/zinc/85/98/13/551859813.db2.gz	GRAHLVPGTYPFGH-QWRGUYRKSA-N	1	0	370.331	1.257	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1	ZINC000591308277	551860122	/nfs/dbraw/zinc/86/01/22/551860122.db2.gz	FVSYISCVJBFRQQ-JKSUJKDBSA-N	1	0	370.453	1.744	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c1	ZINC000591308466	551860302	/nfs/dbraw/zinc/86/03/02/551860302.db2.gz	VHOHSHMQGZCDGN-CABCVRRESA-N	1	0	358.417	1.874	20	30		FDEDRO
CCC[C@@H]1C[NH2+]CCN1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000591350525	551864884	/nfs/dbraw/zinc/86/48/84/551864884.db2.gz	HWRCMIXPLLKHDH-QGZVFWFLSA-N	1	0	356.474	1.706	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NC[C@@H]2CCCC[NH2+]2)CC1	ZINC000591358672	551865939	/nfs/dbraw/zinc/86/59/39/551865939.db2.gz	XEPKKHOTJMLXIL-AWEZNQCLSA-N	1	0	358.446	1.397	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1	ZINC000591728336	551903805	/nfs/dbraw/zinc/90/38/05/551903805.db2.gz	OHMHTABJGPTRFI-HOCLYGCPSA-N	1	0	352.429	1.587	20	30		FDEDRO
N#CCN1CCC([NH2+]C[C@H](O)COc2cccc(Br)c2)CC1	ZINC000591736271	551904738	/nfs/dbraw/zinc/90/47/38/551904738.db2.gz	MWHVDTGMRPNPGX-HNNXBMFYSA-N	1	0	368.275	1.766	20	30		FDEDRO
COC(=O)C1CCC([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1	ZINC000591736922	551905100	/nfs/dbraw/zinc/90/51/00/551905100.db2.gz	YSYIFQWEIJNCLD-UHFFFAOYSA-N	1	0	351.428	1.048	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCN(C3CCCCC3)C2=O)cc1	ZINC000591755954	551906101	/nfs/dbraw/zinc/90/61/01/551906101.db2.gz	CNZHMMHKACQKML-IEBWSBKVSA-N	1	0	357.454	1.821	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCN(c3ccccn3)C2)cc1	ZINC000591756885	551906111	/nfs/dbraw/zinc/90/61/11/551906111.db2.gz	ANPBVVBGKJTATE-INIZCTEOSA-N	1	0	356.451	1.595	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)cc1	ZINC000591756533	551906359	/nfs/dbraw/zinc/90/63/59/551906359.db2.gz	AXRVAUBKDYECRO-NVXWUHKLSA-N	1	0	366.508	1.976	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1	ZINC000591759692	551906770	/nfs/dbraw/zinc/90/67/70/551906770.db2.gz	UGDPGHPXEVAYPC-IAGOWNOFSA-N	1	0	372.448	1.195	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC[C@@H](O)CN(C)CCC#N)c(C)c2)CC1	ZINC000591773509	551907702	/nfs/dbraw/zinc/90/77/02/551907702.db2.gz	CRNCXMSNSLNIGN-LJQANCHMSA-N	1	0	359.518	1.755	20	30		FDEDRO
COc1cccc([C@@H](CNC(=O)N2CC[C@](O)(CC#N)C2)[NH+]2CCCC2)c1	ZINC000591896500	551914043	/nfs/dbraw/zinc/91/40/43/551914043.db2.gz	MWCKHUWQOGYADR-UYAOXDASSA-N	1	0	372.469	1.892	20	30		FDEDRO
N#CC[C@@]1(O)CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1	ZINC000591936872	551918583	/nfs/dbraw/zinc/91/85/83/551918583.db2.gz	ITWGNTSBRHPTPT-UYAOXDASSA-N	1	0	356.470	1.959	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CCNC(=O)N2CC[C@@](O)(CC#N)C2)cc1	ZINC000591954372	551920089	/nfs/dbraw/zinc/92/00/89/551920089.db2.gz	PWQYNQSAYMOAEX-IBGZPJMESA-N	1	0	360.458	1.230	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1	ZINC000592089744	551939253	/nfs/dbraw/zinc/93/92/53/551939253.db2.gz	KEZUTFNZRBNKLT-UAGQMJEPSA-N	1	0	350.488	1.258	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC3(C[C@H]2C)CCOCC3)CC1	ZINC000592182472	551954593	/nfs/dbraw/zinc/95/45/93/551954593.db2.gz	AZPLNRDXFFRNOU-QZTJIDSGSA-N	1	0	362.518	1.570	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC3(C[C@@H]2C)CCOCC3)CC1	ZINC000592182474	551954784	/nfs/dbraw/zinc/95/47/84/551954784.db2.gz	AZPLNRDXFFRNOU-ZWKOTPCHSA-N	1	0	362.518	1.570	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN(Cc1nnc(-c3ccc(C#N)cc3)o1)CCO2	ZINC000592183112	551954915	/nfs/dbraw/zinc/95/49/15/551954915.db2.gz	RHZHSVUXZRERBW-UHFFFAOYSA-N	1	0	353.426	1.905	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1Br	ZINC000592381462	551986387	/nfs/dbraw/zinc/98/63/87/551986387.db2.gz	ORFBUHBDWUPBJH-IINYFYTJSA-N	1	0	370.272	1.693	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(C[C@@H]3CCCO3)CC2)CC1	ZINC000592351899	551983584	/nfs/dbraw/zinc/98/35/84/551983584.db2.gz	GSYMFHVKNZQXGO-SFHVURJKSA-N	1	0	350.507	1.533	20	30		FDEDRO
CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1	ZINC000592432511	551994445	/nfs/dbraw/zinc/99/44/45/551994445.db2.gz	NZVGBWLIOQUBMV-ZBFHGGJFSA-N	1	0	354.472	1.080	20	30		FDEDRO
N#Cc1cnn2cc(CNC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)cnc12	ZINC000592504243	552003166	/nfs/dbraw/zinc/00/31/66/552003166.db2.gz	RDNFKYTUKQUMEX-ROUUACIJSA-N	1	0	354.458	1.458	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)CC[N@@H+]1C	ZINC000592756096	552024235	/nfs/dbraw/zinc/02/42/35/552024235.db2.gz	PQBJMLBWEKTZMR-WQVCFCJDSA-N	1	0	358.467	1.738	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2cc(=O)n3ccccc3n2)cc1	ZINC000592998365	552052114	/nfs/dbraw/zinc/05/21/14/552052114.db2.gz	SIPUDKLQNCDNHS-QGZVFWFLSA-N	1	0	364.405	1.290	20	30		FDEDRO
C[C@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1nncn1C	ZINC000593003778	552052531	/nfs/dbraw/zinc/05/25/31/552052531.db2.gz	PCRYTISCVRLPMH-AWEZNQCLSA-N	1	0	367.457	1.712	20	30		FDEDRO
Cn1ccnc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1=O	ZINC000593177240	552070201	/nfs/dbraw/zinc/07/02/01/552070201.db2.gz	SLEPJPZXVVLSOQ-UHFFFAOYSA-N	1	0	366.425	1.438	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(N3C(=O)[C@@H]4CSCCN4C3=O)CC2)c1	ZINC000593230393	552074852	/nfs/dbraw/zinc/07/48/52/552074852.db2.gz	AIRKIKROUWUXHH-KRWDZBQOSA-N	1	0	370.478	1.902	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(N3C(=O)N[C@]4(CCOC4)C3=O)CC2)c1	ZINC000593232883	552075048	/nfs/dbraw/zinc/07/50/48/552075048.db2.gz	RQKQFEGOICJIHW-IBGZPJMESA-N	1	0	354.410	1.234	20	30		FDEDRO
Cn1cc(CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cn1	ZINC000593321184	552089105	/nfs/dbraw/zinc/08/91/05/552089105.db2.gz	WIAZFHMSBAQGJW-UHFFFAOYSA-N	1	0	352.442	1.756	20	30		FDEDRO
N#Cc1cccc(CN2CCC([NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)CC2)c1	ZINC000593324564	552089596	/nfs/dbraw/zinc/08/95/96/552089596.db2.gz	XFXXUTWEYPLVHH-SFTDATJTSA-N	1	0	354.498	1.879	20	30		FDEDRO
Cc1c(CC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cnn1C	ZINC000593347033	552093395	/nfs/dbraw/zinc/09/33/95/552093395.db2.gz	CIGRBVVJMOXJHT-UHFFFAOYSA-N	1	0	351.454	1.924	20	30		FDEDRO
CC[C@@H](C#N)C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000593442277	552108709	/nfs/dbraw/zinc/10/87/09/552108709.db2.gz	QWWOMYSSRCBXSF-ROUUACIJSA-N	1	0	355.486	1.992	20	30		FDEDRO
CNC(=O)[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000593518905	552121448	/nfs/dbraw/zinc/12/14/48/552121448.db2.gz	XZBXSKIKOBEFHM-QGZVFWFLSA-N	1	0	369.469	1.300	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1C(=O)OC	ZINC000593524969	552122644	/nfs/dbraw/zinc/12/26/44/552122644.db2.gz	XYCRMOMPWIRGRD-ZDUSSCGKSA-N	1	0	351.428	1.107	20	30		FDEDRO
CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(C#N)cc1C(=O)OC	ZINC000593561002	552134397	/nfs/dbraw/zinc/13/43/97/552134397.db2.gz	XFMZPDWLDZDFFX-CQSZACIVSA-N	1	0	365.455	1.498	20	30		FDEDRO
N#Cc1sccc1S(=O)(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1	ZINC000593564436	552135681	/nfs/dbraw/zinc/13/56/81/552135681.db2.gz	RFJFNBHMULKVFV-KBPBESRZSA-N	1	0	369.512	1.666	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H]1C[NH+](C)C	ZINC000593564985	552136146	/nfs/dbraw/zinc/13/61/46/552136146.db2.gz	FBFGGTZERWMJMU-CYBMUJFWSA-N	1	0	351.428	1.060	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H]([NH+](C)C)CC1	ZINC000593585050	552144115	/nfs/dbraw/zinc/14/41/15/552144115.db2.gz	KERIVYVJLAIOGN-AWEZNQCLSA-N	1	0	365.455	1.450	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCC[N@H+](C)CC(C)C	ZINC000593659725	552166540	/nfs/dbraw/zinc/16/65/40/552166540.db2.gz	YWKJSIUFSBDQTB-UHFFFAOYSA-N	1	0	360.458	1.990	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCCC2(C[NH3+])CC2)CC1	ZINC000593717095	552181673	/nfs/dbraw/zinc/18/16/73/552181673.db2.gz	UZOMOHDFEPJCEE-UHFFFAOYSA-N	1	0	358.446	1.384	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccccc1C[NH2+]C	ZINC000593770316	552195279	/nfs/dbraw/zinc/19/52/79/552195279.db2.gz	UTDFYTPBAATQAB-UHFFFAOYSA-N	1	0	366.421	1.931	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)c3[nH]ncc3[N+](=O)[O-])CC2)c1	ZINC000593885314	552217272	/nfs/dbraw/zinc/21/72/72/552217272.db2.gz	BCKIFEPDRUWFMF-UHFFFAOYSA-N	1	0	354.370	1.584	20	30		FDEDRO
CC(C)(C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)N1CCOCC1	ZINC000593885336	552217281	/nfs/dbraw/zinc/21/72/81/552217281.db2.gz	CBOJHDIBPRXSBV-UHFFFAOYSA-N	1	0	370.497	1.750	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)C(=O)N3CCSCC3)CC2)c1	ZINC000593931362	552228825	/nfs/dbraw/zinc/22/88/25/552228825.db2.gz	DBCIFSOJFCXOHN-UHFFFAOYSA-N	1	0	372.494	1.214	20	30		FDEDRO
COC(=O)[C@]12C[N@H+](C[C@H](O)COc3ccc(C#N)cc3)C[C@H]1CCCC2	ZINC000594015976	552237999	/nfs/dbraw/zinc/23/79/99/552237999.db2.gz	RGVGVNIPAGHHOL-FUHIMQAGSA-N	1	0	358.438	1.963	20	30		FDEDRO
COCC[N@H+](CCC(=O)Nc1sccc1C#N)C[C@@H](O)C(F)(F)F	ZINC000594017451	552238035	/nfs/dbraw/zinc/23/80/35/552238035.db2.gz	FMFZZXYABNQBNK-LLVKDONJSA-N	1	0	365.377	1.820	20	30		FDEDRO
C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1	ZINC000594082080	552247304	/nfs/dbraw/zinc/24/73/04/552247304.db2.gz	YTOWCUNDTHSRNE-JOCQHMNTSA-N	1	0	356.405	2.345	20	30		FDEDRO
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000594243120	552269763	/nfs/dbraw/zinc/26/97/63/552269763.db2.gz	ZXBJWTGSJUHNOM-FGTMMUONSA-N	1	0	369.469	1.299	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N1CCC(C(=O)NCc2ccccc2)CC1	ZINC000594427075	552308167	/nfs/dbraw/zinc/30/81/67/552308167.db2.gz	UNOOZEFPHPNJGT-GOSISDBHSA-N	1	0	356.470	1.953	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1	ZINC000594431239	552308858	/nfs/dbraw/zinc/30/88/58/552308858.db2.gz	JZHLEDQEJSQNGL-HNNXBMFYSA-N	1	0	364.396	1.660	20	30		FDEDRO
COc1cc(CN2CC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C2)cc(OC)c1	ZINC000594439547	552310485	/nfs/dbraw/zinc/31/04/85/552310485.db2.gz	RREBNJDNZVGORB-LPHOPBHVSA-N	1	0	374.485	1.806	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N[C@@H](C(=O)N=c1cc[nH][nH]1)c1ccccc1	ZINC000594439464	552310667	/nfs/dbraw/zinc/31/06/67/552310667.db2.gz	WCXZBEKRZGFAQL-GOEBONIOSA-N	1	0	354.414	1.617	20	30		FDEDRO
CC(C)(C#N)c1ccc(C[NH2+][C@H]2CCN(CCN3CCOCC3)C2)cc1	ZINC000594502751	552326455	/nfs/dbraw/zinc/32/64/55/552326455.db2.gz	QPZQZLDHBHGESP-FQEVSTJZSA-N	1	0	356.514	1.984	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1	ZINC000594524642	552327767	/nfs/dbraw/zinc/32/77/67/552327767.db2.gz	LALGVFLUWVETIY-LLVKDONJSA-N	1	0	372.351	1.145	20	30		FDEDRO
N#CCCn1cc(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c(-c2ccccc2)n1	ZINC000594612387	552340571	/nfs/dbraw/zinc/34/05/71/552340571.db2.gz	JASWDMKJNOTPBM-RBUKOAKNSA-N	1	0	351.454	1.715	20	30		FDEDRO
CS(=O)(=O)CC1(CC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000594717923	552363129	/nfs/dbraw/zinc/36/31/29/552363129.db2.gz	ICSHBLZVNUTXJA-UHFFFAOYSA-N	1	0	370.496	1.136	20	30		FDEDRO
N#CC1(CS(=O)(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CCC1	ZINC000594817544	552396763	/nfs/dbraw/zinc/39/67/63/552396763.db2.gz	SNHJRKRGOSOIPD-QGZVFWFLSA-N	1	0	363.483	1.366	20	30		FDEDRO
CN(CCC[NH+](C)C)CCNS(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000594822252	552398820	/nfs/dbraw/zinc/39/88/20/552398820.db2.gz	TXINAYFGQIZPML-UHFFFAOYSA-N	1	0	356.467	1.000	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C	ZINC000595073081	552444838	/nfs/dbraw/zinc/44/48/38/552444838.db2.gz	MJDRMVCWCGQUDV-AWEZNQCLSA-N	1	0	358.442	1.884	20	30		FDEDRO
C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCCc1ccc(C#N)cc1	ZINC000595078913	552446022	/nfs/dbraw/zinc/44/60/22/552446022.db2.gz	HIKJFUMILGTMJG-UHFFFAOYSA-N	1	0	364.449	1.960	20	30		FDEDRO
C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cccc(CC#N)c1	ZINC000595106119	552452254	/nfs/dbraw/zinc/45/22/54/552452254.db2.gz	IQHZNFOWNHUSQB-HNNXBMFYSA-N	1	0	359.474	1.079	20	30		FDEDRO
CC(C)[C@H]([NH3+])CCNS(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000595121289	552458002	/nfs/dbraw/zinc/45/80/02/552458002.db2.gz	NLDHUMHGUAXWNF-CYBMUJFWSA-N	1	0	360.277	1.972	20	30		FDEDRO
CN(CCC[NH+](C)C)CCNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000595124058	552458705	/nfs/dbraw/zinc/45/87/05/552458705.db2.gz	DODXSOLTUFHMQB-UHFFFAOYSA-N	1	0	365.865	1.150	20	30		FDEDRO
CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[C@@](C)(C#N)C1	ZINC000595158843	552471920	/nfs/dbraw/zinc/47/19/20/552471920.db2.gz	LMCPURRMECLIQF-NQIIRXRSSA-N	1	0	368.481	1.729	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1	ZINC000595228444	552498129	/nfs/dbraw/zinc/49/81/29/552498129.db2.gz	RRXMRLCXFHCAGX-KBPBESRZSA-N	1	0	357.414	1.121	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1	ZINC000595228448	552498255	/nfs/dbraw/zinc/49/82/55/552498255.db2.gz	RRXMRLCXFHCAGX-ZIAGYGMSSA-N	1	0	357.414	1.121	20	30		FDEDRO
C[C@@]1(C#N)CCCN(C(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)C1	ZINC000595239689	552502517	/nfs/dbraw/zinc/50/25/17/552502517.db2.gz	XIFRBKFEFISZCH-LPHOPBHVSA-N	1	0	356.426	1.438	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)C2=O)cc1	ZINC000595264818	552507883	/nfs/dbraw/zinc/50/78/83/552507883.db2.gz	QGBZPCUNVAQHKK-BZUAXINKSA-N	1	0	359.405	1.134	20	30		FDEDRO
C=CCCSCCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000595273103	552509338	/nfs/dbraw/zinc/50/93/38/552509338.db2.gz	IZSVMLIRVJGVIC-GFCCVEGCSA-N	1	0	354.442	1.431	20	30		FDEDRO
N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC000595385269	552544642	/nfs/dbraw/zinc/54/46/42/552544642.db2.gz	XYYUPVVQLKOFDA-HNNXBMFYSA-N	1	0	369.874	1.431	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2)CCO1	ZINC000595403392	552551276	/nfs/dbraw/zinc/55/12/76/552551276.db2.gz	DPFAUPDCAUELEC-QGZVFWFLSA-N	1	0	351.472	1.431	20	30		FDEDRO
CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC[NH2+]1	ZINC000595412493	552554037	/nfs/dbraw/zinc/55/40/37/552554037.db2.gz	LRMNRBCHNWFAIZ-AWEZNQCLSA-N	1	0	372.288	1.939	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@H]([NH+]2CCOCC2)CC1	ZINC000595470063	552568024	/nfs/dbraw/zinc/56/80/24/552568024.db2.gz	LNCBYSJJRCJULQ-ZIFCJYIRSA-N	1	0	350.507	1.616	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@@H](N2CCC[C@H]([NH+]3CCOCC3)CC2)C1=O	ZINC000595470546	552568043	/nfs/dbraw/zinc/56/80/43/552568043.db2.gz	OTPAADZWAWRXRB-DLBZAZTESA-N	1	0	374.510	1.912	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CC[C@@](C)(C#N)C2)c1	ZINC000595486752	552571106	/nfs/dbraw/zinc/57/11/06/552571106.db2.gz	CLNNLLZBYSZJEP-IBGZPJMESA-N	1	0	357.458	1.423	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000595501880	552573332	/nfs/dbraw/zinc/57/33/32/552573332.db2.gz	JQVWMSOBLZRKBI-UHFFFAOYSA-N	1	0	371.485	1.343	20	30		FDEDRO
CC(C)C[NH2+]C1(CO)CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1	ZINC000595510761	552575511	/nfs/dbraw/zinc/57/55/11/552575511.db2.gz	DDVBJVCAZUFNRO-INIZCTEOSA-N	1	0	358.486	1.958	20	30		FDEDRO
CC(C)C[NH2+]C1(CO)CCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1	ZINC000595510841	552576118	/nfs/dbraw/zinc/57/61/18/552576118.db2.gz	FOVDIBANUBXBHO-SJLPKXTDSA-N	1	0	352.523	1.502	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1	ZINC000595525716	552578895	/nfs/dbraw/zinc/57/88/95/552578895.db2.gz	GSTDIIXKFXJCET-QGZVFWFLSA-N	1	0	358.442	1.490	20	30		FDEDRO
C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CCC[C@H](CC#N)C1	ZINC000595611923	552592490	/nfs/dbraw/zinc/59/24/90/552592490.db2.gz	PCTXMOKFZZHXCO-HZPDHXFCSA-N	1	0	358.442	1.578	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H](CO)C1CCC1	ZINC000595614584	552592939	/nfs/dbraw/zinc/59/29/39/552592939.db2.gz	DTBDWFGGVSALIG-KRWDZBQOSA-N	1	0	362.474	1.702	20	30		FDEDRO
C=CCCSCCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1	ZINC000595647172	552596697	/nfs/dbraw/zinc/59/66/97/552596697.db2.gz	VFBWKYFLXUJXLO-UHFFFAOYSA-N	1	0	370.563	1.392	20	30		FDEDRO
CC(C)OC[C@@H](O)C[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595725251	552606934	/nfs/dbraw/zinc/60/69/34/552606934.db2.gz	CKLIYZDCXIKNFP-SFHVURJKSA-N	1	0	369.469	1.856	20	30		FDEDRO
COC[C@@H](C[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)OC	ZINC000595734942	552608417	/nfs/dbraw/zinc/60/84/17/552608417.db2.gz	RZWIBXOLXUNOSO-QGZVFWFLSA-N	1	0	355.442	1.732	20	30		FDEDRO
N#Cc1cccc(C2([NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CCOCC2)c1	ZINC000595764194	552612912	/nfs/dbraw/zinc/61/29/12/552612912.db2.gz	GVOBANHOBBCVKR-KRWDZBQOSA-N	1	0	371.397	1.319	20	30		FDEDRO
N#Cc1cccc(NC(=O)CC[N@H+](CCN2CCOCC2)CC2CC2)c1	ZINC000595806728	552618161	/nfs/dbraw/zinc/61/81/61/552618161.db2.gz	FTQVMAMNHZFDEE-UHFFFAOYSA-N	1	0	356.470	1.931	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1	ZINC000595862425	552624924	/nfs/dbraw/zinc/62/49/24/552624924.db2.gz	BNBVWPQHQUZZEN-MOPGFXCFSA-N	1	0	359.470	1.023	20	30		FDEDRO
CCOC(=O)CC1([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CCOCC1	ZINC000595888008	552628880	/nfs/dbraw/zinc/62/88/80/552628880.db2.gz	OXVACBGVOPIKJQ-MRXNPFEDSA-N	1	0	362.426	1.390	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1	ZINC000595907793	552631706	/nfs/dbraw/zinc/63/17/06/552631706.db2.gz	YLRKDEFAKDTMHM-RBUKOAKNSA-N	1	0	356.470	1.706	20	30		FDEDRO
N#CC1(CC(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCCCC1	ZINC000595909062	552631976	/nfs/dbraw/zinc/63/19/76/552631976.db2.gz	LQGDXCJXUXJOFH-IRXDYDNUSA-N	1	0	360.502	1.957	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](NC3CC[NH+]([C@H]4CCOC4)CC3)C2=O)cc1	ZINC000596047320	552649616	/nfs/dbraw/zinc/64/96/16/552649616.db2.gz	PKFJHPIFNPCCNN-OALUTQOASA-N	1	0	354.454	1.506	20	30		FDEDRO
C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000596071363	552652474	/nfs/dbraw/zinc/65/24/74/552652474.db2.gz	ZAHBJUXGJHYMAU-WMLDXEAASA-N	1	0	359.451	1.481	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(c2cc(C)c([N+](=O)[O-])c(C#N)c2)CC1	ZINC000596106555	552655682	/nfs/dbraw/zinc/65/56/82/552655682.db2.gz	FUXRGASQTDEMJF-UHFFFAOYSA-N	1	0	359.430	1.765	20	30		FDEDRO
CCc1nc(C#N)cc(N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)n1	ZINC000596137812	552659239	/nfs/dbraw/zinc/65/92/39/552659239.db2.gz	XQDHLCKGFWIQJD-MRXNPFEDSA-N	1	0	350.470	2.533	20	30		FDEDRO
C[C@@H]1CN(CCNC(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@H](C)CO1	ZINC000596840578	552716754	/nfs/dbraw/zinc/71/67/54/552716754.db2.gz	SXMVJMZXYSOIOE-ZIAGYGMSSA-N	1	0	369.429	1.370	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CCNC(=O)CC2(C#N)CCOCC2)cc1	ZINC000597155064	552755080	/nfs/dbraw/zinc/75/50/80/552755080.db2.gz	RJYXWCVSSSEXFV-UHFFFAOYSA-N	1	0	359.470	1.996	20	30		FDEDRO
CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C1CC1	ZINC000597391648	552783398	/nfs/dbraw/zinc/78/33/98/552783398.db2.gz	WCYRYIHGEKCCIO-SFHVURJKSA-N	1	0	356.470	1.753	20	30		FDEDRO
C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NCC3(C#N)CCCCC3)C2)CC1	ZINC000597398411	552784061	/nfs/dbraw/zinc/78/40/61/552784061.db2.gz	VHCWZVUPUNSQRG-KRWDZBQOSA-N	1	0	360.502	1.767	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CCN1Cc1ccccc1	ZINC000597439428	552789441	/nfs/dbraw/zinc/78/94/41/552789441.db2.gz	JIMDYTPBACYLKH-QZTJIDSGSA-N	1	0	353.470	1.548	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](C(=O)NC[C@@H]3C[N@@H+]4CCN3CCC4)C2)c(F)c1	ZINC000597624968	552813858	/nfs/dbraw/zinc/81/38/58/552813858.db2.gz	MXOKSAAYFAHMRE-DLBZAZTESA-N	1	0	371.460	1.030	20	30		FDEDRO
CN1CC[NH+](CC2CN(C(=O)[C@H]3CCCN3c3ccc(C#N)cc3)C2)CC1	ZINC000597694769	552823272	/nfs/dbraw/zinc/82/32/72/552823272.db2.gz	NPKFDNPTSVOGMU-HXUWFJFHSA-N	1	0	367.497	1.233	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCc3cc(C#N)ccc32)CC1=O	ZINC000597775220	552831488	/nfs/dbraw/zinc/83/14/88/552831488.db2.gz	FVISHBKDNHJEGQ-MSOLQXFVSA-N	1	0	366.465	1.780	20	30		FDEDRO
CO[C@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@@H]1CCOC1	ZINC000597823101	552836910	/nfs/dbraw/zinc/83/69/10/552836910.db2.gz	XLINRFMTXWRMRK-MJGOQNOKSA-N	1	0	357.454	1.690	20	30		FDEDRO
CN(CC1C[NH+](C)C1)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1	ZINC000598155895	552869834	/nfs/dbraw/zinc/86/98/34/552869834.db2.gz	ARMINEXJSXZZOV-CQSZACIVSA-N	1	0	360.845	1.585	20	30		FDEDRO
CN(CC1C[NH+](C)C1)C(=O)COc1cccc(Br)c1C#N	ZINC000598161335	552870569	/nfs/dbraw/zinc/87/05/69/552870569.db2.gz	RYXBRDPFUJDNIA-UHFFFAOYSA-N	1	0	352.232	1.720	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)NC2(c3cccc(C#N)c3)CCOCC2)CC1	ZINC000598248296	552878492	/nfs/dbraw/zinc/87/84/92/552878492.db2.gz	KTQXSLJDOMGGDY-UHFFFAOYSA-N	1	0	370.497	1.708	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C1	ZINC000598341422	552887035	/nfs/dbraw/zinc/88/70/35/552887035.db2.gz	BEBYPMNCKMUBPJ-INIZCTEOSA-N	1	0	354.458	1.751	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CCO1	ZINC000598540865	552907492	/nfs/dbraw/zinc/90/74/92/552907492.db2.gz	RHXPYUUABXYQSA-GOSISDBHSA-N	1	0	367.453	1.927	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CCO1	ZINC000598540553	552907521	/nfs/dbraw/zinc/90/75/21/552907521.db2.gz	PNMMLXVENMAFHB-MOPGFXCFSA-N	1	0	354.454	1.810	20	30		FDEDRO
C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000598599288	552913393	/nfs/dbraw/zinc/91/33/93/552913393.db2.gz	BFKKGDXWJRHRJT-DZGCQCFKSA-N	1	0	353.488	1.888	20	30		FDEDRO
C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000598600807	552913746	/nfs/dbraw/zinc/91/37/46/552913746.db2.gz	KEPBPPSSVOGEST-UKRRQHHQSA-N	1	0	353.488	1.888	20	30		FDEDRO
C[C@@H]1[C@H](C)[N@H+](C[C@H](O)CC(C)(C)C#N)CCN1C[C@H](O)CC(C)(C)C#N	ZINC000598628485	552917996	/nfs/dbraw/zinc/91/79/96/552917996.db2.gz	OGIDHGDBWBYWMP-XMTFNYHQSA-N	1	0	364.534	1.983	20	30		FDEDRO
Cc1nc(NC(=O)C2CC[NH+](C(C)C)CC2)n(-c2ccc(C#N)cc2)n1	ZINC000598685802	552924997	/nfs/dbraw/zinc/92/49/97/552924997.db2.gz	SCNDYHRLCNAKNX-UHFFFAOYSA-N	1	0	352.442	1.928	20	30		FDEDRO
C[NH+](C)C1CC(NC(=O)COc2ccc(C#N)c(Br)c2)C1	ZINC000598721779	552928245	/nfs/dbraw/zinc/92/82/45/552928245.db2.gz	WPNRBKLPCQKILW-UHFFFAOYSA-N	1	0	352.232	1.908	20	30		FDEDRO
COc1cc(OC)cc(N2CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C2=O)c1	ZINC000598722278	552928285	/nfs/dbraw/zinc/92/82/85/552928285.db2.gz	ZUYPJMYQOPGYFC-PBHICJAKSA-N	1	0	361.442	1.699	20	30		FDEDRO
C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1cn(-c2ccccc2)nn1	ZINC000599370829	553038300	/nfs/dbraw/zinc/03/83/00/553038300.db2.gz	LSPYDEZWUJXVDW-DOTOQJQBSA-N	1	0	355.442	1.989	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)CCOCC1	ZINC000599377597	553040088	/nfs/dbraw/zinc/04/00/88/553040088.db2.gz	JHVOHBBTELVKMV-OLZOCXBDSA-N	1	0	363.380	1.058	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)CCOCC1	ZINC000599377594	553040299	/nfs/dbraw/zinc/04/02/99/553040299.db2.gz	JHVOHBBTELVKMV-CHWSQXEVSA-N	1	0	363.380	1.058	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)CCOCC1	ZINC000599385625	553042449	/nfs/dbraw/zinc/04/24/49/553042449.db2.gz	KLXJYHCCXDJHIK-MELADBBJSA-N	1	0	350.381	1.693	20	30		FDEDRO
C[N@H+](C[C@@H](O)COc1ccccc1C#N)[C@@H](CC(N)=O)c1ccccc1	ZINC000599390597	553043795	/nfs/dbraw/zinc/04/37/95/553043795.db2.gz	NHHHTKDYCWPORD-MSOLQXFVSA-N	1	0	353.422	1.846	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)CCOCC1	ZINC000599432231	553055573	/nfs/dbraw/zinc/05/55/73/553055573.db2.gz	MVCHJAPXZGIVIJ-GVDBMIGSSA-N	1	0	357.454	1.339	20	30		FDEDRO
COC(=O)[C@@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C[C@@H]1c1ccccc1	ZINC000599438295	553056440	/nfs/dbraw/zinc/05/64/40/553056440.db2.gz	UXUQPXHHDAAMOT-IPMKNSEASA-N	1	0	372.465	1.946	20	30		FDEDRO
C[NH2+]CCOCCN(C)C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1	ZINC000599607441	553101839	/nfs/dbraw/zinc/10/18/39/553101839.db2.gz	YBGOZQUSDXTHON-CYBMUJFWSA-N	1	0	368.459	1.072	20	30		FDEDRO
N#Cc1ccc(C2([NH2+]C[C@H](O)COC[C@H]3CCCO3)CCOCC2)cc1	ZINC000599629934	553108086	/nfs/dbraw/zinc/10/80/86/553108086.db2.gz	BWPUKHZZWDUOLS-RBUKOAKNSA-N	1	0	360.454	1.710	20	30		FDEDRO
COC(=O)[C@@H]1CC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)[C@@H]2CCC[C@@H]21	ZINC000599645373	553112249	/nfs/dbraw/zinc/11/22/49/553112249.db2.gz	FDSVUOWVOWUHHC-QBPKDAKJSA-N	1	0	350.459	1.721	20	30		FDEDRO
C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C[NH2+]1	ZINC000599895036	553169753	/nfs/dbraw/zinc/16/97/53/553169753.db2.gz	BQTNPCJDWAIOJG-JOYOIKCWSA-N	1	0	365.231	1.516	20	30		FDEDRO
N#Cc1cccnc1OC1CCC(NC(=O)NCC2([NH3+])CCOCC2)CC1	ZINC000599917412	553173939	/nfs/dbraw/zinc/17/39/39/553173939.db2.gz	JTKNRAQPRYQDCF-UHFFFAOYSA-N	1	0	373.457	1.450	20	30		FDEDRO
Cc1nc(SCC(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)c(C#N)c(C)c1C	ZINC000599938080	553178479	/nfs/dbraw/zinc/17/84/79/553178479.db2.gz	LQZOQISJSOYOFA-HZPDHXFCSA-N	1	0	374.510	1.638	20	30		FDEDRO
N#Cc1cccc(-c2cc(C(=O)N3CC[C@@H]([N@@H+]4CC[C@H](O)C4)C3)on2)c1	ZINC000599939413	553179503	/nfs/dbraw/zinc/17/95/03/553179503.db2.gz	IIZRUSVDIXPCJU-CVEARBPZSA-N	1	0	352.394	1.494	20	30		FDEDRO
CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(OC)c(C#N)cc1F	ZINC000599953238	553184144	/nfs/dbraw/zinc/18/41/44/553184144.db2.gz	RSUAVWAZCRQLIN-LLVKDONJSA-N	1	0	350.394	1.491	20	30		FDEDRO
C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3cccc(Br)c3C#N)C[C@H]21	ZINC000600669623	553297568	/nfs/dbraw/zinc/29/75/68/553297568.db2.gz	QQIFBEFNQDFXDB-YABSGUDNSA-N	1	0	370.272	1.501	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]Cc2ccccc2CN2CCOCC2)CCOCC1	ZINC000600714122	553305977	/nfs/dbraw/zinc/30/59/77/553305977.db2.gz	JFZVPSVPUYKTGX-FQEVSTJZSA-N	1	0	373.497	1.680	20	30		FDEDRO
CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C[C@H](O)CC2(C#N)CC2)cc1	ZINC000600714426	553306006	/nfs/dbraw/zinc/30/60/06/553306006.db2.gz	MBGJJBCGHJLDIF-MRXNPFEDSA-N	1	0	365.499	1.861	20	30		FDEDRO
COC1CCN(C(C)(C)C[NH2+]C[C@@H](O)COc2ccccc2C#N)CC1	ZINC000600720278	553306701	/nfs/dbraw/zinc/30/67/01/553306701.db2.gz	GHUWMIKZMUCHTL-QGZVFWFLSA-N	1	0	361.486	1.777	20	30		FDEDRO
CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]C[C@H](O)CC2(C#N)CC2)cc1	ZINC000600721024	553307248	/nfs/dbraw/zinc/30/72/48/553307248.db2.gz	JZHLEILYBAITGE-MRXNPFEDSA-N	1	0	365.499	1.860	20	30		FDEDRO
CS(=O)(=O)Cc1cccc(C[NH2+]C[C@H](O)COc2ccccc2C#N)c1	ZINC000600725017	553307461	/nfs/dbraw/zinc/30/74/61/553307461.db2.gz	VUQVQSYWPOBGJK-SFHVURJKSA-N	1	0	374.462	1.632	20	30		FDEDRO
COc1cc(OC)cc(N2CC[C@@H]([NH2+]C[C@H](O)CC3(C#N)CC3)C2=O)c1	ZINC000600727423	553308176	/nfs/dbraw/zinc/30/81/76/553308176.db2.gz	IGGRJQKTHPEJDT-RHSMWYFYSA-N	1	0	359.426	1.453	20	30		FDEDRO
N#CC1(C[C@H](O)CNc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)CCOCC1	ZINC000600736489	553309058	/nfs/dbraw/zinc/30/90/58/553309058.db2.gz	ARFVPCMEWKJKNW-MOPGFXCFSA-N	1	0	359.470	1.736	20	30		FDEDRO
CS(=O)(=O)CC1(CC[NH2+]C[C@H](O)COc2ccccc2C#N)CC1	ZINC000600744278	553310093	/nfs/dbraw/zinc/31/00/93/553310093.db2.gz	BJRHAXDBAFWYJB-HNNXBMFYSA-N	1	0	352.456	1.102	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccccc1CC#N	ZINC000601377003	553388763	/nfs/dbraw/zinc/38/87/63/553388763.db2.gz	YLJOTDWSRRAPLJ-IKGGRYGDSA-N	1	0	363.483	1.625	20	30		FDEDRO
Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC000601470757	553414554	/nfs/dbraw/zinc/41/45/54/553414554.db2.gz	ZYOFPHSHNNRPSG-MRXNPFEDSA-N	1	0	367.446	1.226	20	30		FDEDRO
Cc1cccc(C[N@H+]2CC[C@@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C2)c1	ZINC000601523058	553428054	/nfs/dbraw/zinc/42/80/54/553428054.db2.gz	OBQIUDZSKTYCSB-NVXWUHKLSA-N	1	0	350.488	1.638	20	30		FDEDRO
N#CCCN1CCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1	ZINC000601560300	553435453	/nfs/dbraw/zinc/43/54/53/553435453.db2.gz	OBIXKZXYHIGUBK-IBGZPJMESA-N	1	0	355.486	1.892	20	30		FDEDRO
N#Cc1c(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[nH]nc1N1CCOCC1	ZINC000601742686	553467714	/nfs/dbraw/zinc/46/77/14/553467714.db2.gz	XWSDHWVSHVOTMV-HNNXBMFYSA-N	1	0	358.446	1.463	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H](n1cncn1)C(F)(F)F	ZINC000601968038	553497282	/nfs/dbraw/zinc/49/72/82/553497282.db2.gz	LCEMMWGHWLUJGW-OCCSQVGLSA-N	1	0	355.320	1.283	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC(C)([NH+]3CCCC3)CC2)n(CCC#N)n1	ZINC000602056624	553510135	/nfs/dbraw/zinc/51/01/35/553510135.db2.gz	BCFQPWCETZECRJ-UHFFFAOYSA-N	1	0	372.473	1.521	20	30		FDEDRO
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1	ZINC000602095905	553518417	/nfs/dbraw/zinc/51/84/17/553518417.db2.gz	FGYBLIJSTCHODI-LJQANCHMSA-N	1	0	370.497	1.581	20	30		FDEDRO
N#CCN1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)CC1	ZINC000602105471	553519971	/nfs/dbraw/zinc/51/99/71/553519971.db2.gz	YASGEZAGEGAGIH-TZIWHRDSSA-N	1	0	368.481	1.193	20	30		FDEDRO
CCN1CCC([NH+]2CCC(C(=O)N3CCN(CCC#N)CC3)CC2)CC1	ZINC000602202241	553539256	/nfs/dbraw/zinc/53/92/56/553539256.db2.gz	BQAKMIPZSWTXNS-UHFFFAOYSA-N	1	0	361.534	1.241	20	30		FDEDRO
CCS(=O)(=O)N1CCC(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)CC1	ZINC000602613848	553611947	/nfs/dbraw/zinc/61/19/47/553611947.db2.gz	QVUPLEGUCYIGAD-HNNXBMFYSA-N	1	0	357.520	1.737	20	30		FDEDRO
CNC(=O)[C@H](C[NH2+]Cc1cccc(C#N)n1)Cc1ccc(OC)c(F)c1	ZINC000602702979	553624825	/nfs/dbraw/zinc/62/48/25/553624825.db2.gz	WTORMCSEZXVFTO-AWEZNQCLSA-N	1	0	356.401	1.795	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@](O)(C[NH+](C)C)C2)c1C	ZINC000602891384	553662538	/nfs/dbraw/zinc/66/25/38/553662538.db2.gz	LVFZLLHYJWCXJW-NRFANRHFSA-N	1	0	372.513	1.939	20	30		FDEDRO
C[C@]1(CO)C[C@H](O)C[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000602906827	553665847	/nfs/dbraw/zinc/66/58/47/553665847.db2.gz	LFAFANXTFPHXHP-KPZWWZAWSA-N	1	0	363.483	1.645	20	30		FDEDRO
COC(=O)CCN1CC[C@H]([NH+]2CCC(c3ccc(C#N)cn3)CC2)C1=O	ZINC000602905418	553665986	/nfs/dbraw/zinc/66/59/86/553665986.db2.gz	DXQBVJLNYMMFND-KRWDZBQOSA-N	1	0	356.426	1.297	20	30		FDEDRO
C[NH+](C)C[C@H]1COC2(CCCC2)CN1C[C@H](O)CC1(C#N)CCOCC1	ZINC000602909158	553666252	/nfs/dbraw/zinc/66/62/52/553666252.db2.gz	ZNXUYVCHNMNYMI-ZWKOTPCHSA-N	1	0	365.518	1.633	20	30		FDEDRO
COCc1ncc2c(n1)CCN(C[C@H](O)COc1ccccc1C#N)C2	ZINC000602924364	553670396	/nfs/dbraw/zinc/67/03/96/553670396.db2.gz	HFAAZYMJEUILPG-INIZCTEOSA-N	1	0	354.410	1.293	20	30		FDEDRO
COC[C@@]1(C(=O)OC(C)(C)C)CC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1	ZINC000602961323	553681144	/nfs/dbraw/zinc/68/11/44/553681144.db2.gz	NNOSOBSLCUFJEE-KBXCAEBGSA-N	1	0	365.474	1.618	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@](C)(CO)C1	ZINC000602964282	553681674	/nfs/dbraw/zinc/68/16/74/553681674.db2.gz	OFZIFBNKPFBPKW-SGTLLEGYSA-N	1	0	363.483	1.909	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)Nc3ccnc(C#N)c3)ccn2)CC1	ZINC000603140667	553714551	/nfs/dbraw/zinc/71/45/51/553714551.db2.gz	XZVXQKCVMBLWLW-UHFFFAOYSA-N	1	0	351.414	1.422	20	30		FDEDRO
COCC[NH2+]Cc1ccn(Cc2cn([C@@H](C#N)c3ccccc3)nn2)n1	ZINC000603221578	553735570	/nfs/dbraw/zinc/73/55/70/553735570.db2.gz	OLUUZSABJKTGQC-SFHVURJKSA-N	1	0	351.414	1.372	20	30		FDEDRO
N#Cc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(CS(N)(=O)=O)c1	ZINC000603264544	553747618	/nfs/dbraw/zinc/74/76/18/553747618.db2.gz	JNDIRUDOLLTTQN-UHFFFAOYSA-N	1	0	370.478	1.669	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000603287003	553754922	/nfs/dbraw/zinc/75/49/22/553754922.db2.gz	ADHBZFKINZDYMZ-UHFFFAOYSA-N	1	0	364.453	1.488	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(c3cc(C#N)c(Br)cn3)C2)CC1	ZINC000603290326	553755661	/nfs/dbraw/zinc/75/56/61/553755661.db2.gz	KESYLPHSTVMMQU-AWEZNQCLSA-N	1	0	364.291	1.932	20	30		FDEDRO
CCC[N@H+](C)C[C@@H]1CCN(c2ccc(C#N)cc2CS(N)(=O)=O)C1	ZINC000603303747	553759817	/nfs/dbraw/zinc/75/98/17/553759817.db2.gz	RMBLHXDIUOIJIY-HNNXBMFYSA-N	1	0	350.488	1.515	20	30		FDEDRO
N#Cc1cn(CC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)nn1	ZINC000603334920	553766310	/nfs/dbraw/zinc/76/63/10/553766310.db2.gz	WUYTVHSLECBUFI-UHFFFAOYSA-N	1	0	360.421	1.647	20	30		FDEDRO
CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)c1cncc(C#N)n1	ZINC000603402365	553780492	/nfs/dbraw/zinc/78/04/92/553780492.db2.gz	QEQACJJAKIYKPT-UHFFFAOYSA-N	1	0	364.409	1.012	20	30		FDEDRO
N#Cc1ccc(NC[C@@H]2CCCN2CC(F)F)c(CS(N)(=O)=O)c1	ZINC000603411545	553782090	/nfs/dbraw/zinc/78/20/90/553782090.db2.gz	DJWUYKKTKGLHDP-ZDUSSCGKSA-N	1	0	358.414	1.488	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1	ZINC000604208235	553854700	/nfs/dbraw/zinc/85/47/00/553854700.db2.gz	MWBUDKBGIJEPSF-KRWDZBQOSA-N	1	0	356.426	1.210	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1	ZINC000608888335	554327155	/nfs/dbraw/zinc/32/71/55/554327155.db2.gz	IEHFCLSBHZVZMK-IBGZPJMESA-N	1	0	362.433	1.679	20	30		FDEDRO
COCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC1	ZINC000609110232	554337896	/nfs/dbraw/zinc/33/78/96/554337896.db2.gz	ZDNHCMHOHASNLO-IBGZPJMESA-N	1	0	356.470	1.708	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000609268782	554354173	/nfs/dbraw/zinc/35/41/73/554354173.db2.gz	BIYYCQXFRJLMJY-MRXNPFEDSA-N	1	0	368.441	1.167	20	30		FDEDRO
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[N@H+](C)CCN1C	ZINC000609550515	554391907	/nfs/dbraw/zinc/39/19/07/554391907.db2.gz	CVHUUHALBWCTAK-LJQANCHMSA-N	1	0	357.502	1.972	20	30		FDEDRO
COC(=O)[C@H]1CC12CC[NH+](C[C@@H](O)COc1ccc(CC#N)cc1)CC2	ZINC000609616886	554402637	/nfs/dbraw/zinc/40/26/37/554402637.db2.gz	BJYBJTFLTKNBLT-SJLPKXTDSA-N	1	0	358.438	1.767	20	30		FDEDRO
COC(=O)[C@H]1CC12CC[NH+](C[C@H](O)COc1ccc(CC#N)cc1)CC2	ZINC000609616885	554402852	/nfs/dbraw/zinc/40/28/52/554402852.db2.gz	BJYBJTFLTKNBLT-FUHWJXTLSA-N	1	0	358.438	1.767	20	30		FDEDRO
N#Cc1ccc([C@H]([NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)C(N)=O)cc1	ZINC000609676719	554410767	/nfs/dbraw/zinc/41/07/67/554410767.db2.gz	MOASYUBIPILTCU-YJBOKZPZSA-N	1	0	363.421	1.052	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C	ZINC000609721566	554415729	/nfs/dbraw/zinc/41/57/29/554415729.db2.gz	SIYLPTRAFFSIHF-INIZCTEOSA-N	1	0	360.458	1.988	20	30		FDEDRO
CCn1nc(C(=O)N(CCC#N)CCC[NH+](C)C)c(=O)c2ccccc21	ZINC000609822080	554425296	/nfs/dbraw/zinc/42/52/96/554425296.db2.gz	PHIRLEMRRFOCEV-UHFFFAOYSA-N	1	0	355.442	1.724	20	30		FDEDRO
Cc1ccc(C(=O)N(C)CCCC[NH+](C)C)cc1S(=O)(=O)NCC#N	ZINC000610112073	554462578	/nfs/dbraw/zinc/46/25/78/554462578.db2.gz	UVQMWRLWZHSPGQ-UHFFFAOYSA-N	1	0	366.487	1.211	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(Nc2cc(C#N)nc3ccccc32)CC1	ZINC000610277776	554486318	/nfs/dbraw/zinc/48/63/18/554486318.db2.gz	NKZUWGILKONFQM-UHFFFAOYSA-N	1	0	351.454	1.883	20	30		FDEDRO
CC(C)OCC[NH+]1CCC(NC(=O)NC2CCN(CC#N)CC2)CC1	ZINC000610478712	554516079	/nfs/dbraw/zinc/51/60/79/554516079.db2.gz	UFPNMIUYIRYTOM-UHFFFAOYSA-N	1	0	351.495	1.163	20	30		FDEDRO
COC(=O)Cc1csc(NC(=O)N(CCC#N)CCC[NH+](C)C)n1	ZINC000610540682	554525454	/nfs/dbraw/zinc/52/54/54/554525454.db2.gz	ZOLCBVJOTJRNTE-UHFFFAOYSA-N	1	0	353.448	1.558	20	30		FDEDRO
N#Cc1ccc(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(F)c1	ZINC000610882231	554574790	/nfs/dbraw/zinc/57/47/90/554574790.db2.gz	AXOITHKXKJHJPB-QZTJIDSGSA-N	1	0	360.433	1.874	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c(F)c1	ZINC000610916001	554580623	/nfs/dbraw/zinc/58/06/23/554580623.db2.gz	LXFCIMJBXVMJIT-HNNXBMFYSA-N	1	0	374.416	1.349	20	30		FDEDRO
N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CC[C@H]([NH+]3CCCCC3)C1)CC2	ZINC000611137592	554608803	/nfs/dbraw/zinc/60/88/03/554608803.db2.gz	VBYATCSJAYXQTC-KRWDZBQOSA-N	1	0	352.438	1.534	20	30		FDEDRO
C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1)c1cccc(C#N)c1	ZINC000611388778	554630631	/nfs/dbraw/zinc/63/06/31/554630631.db2.gz	SNCNFUUYIJFYCY-OLZOCXBDSA-N	1	0	372.450	1.883	20	30		FDEDRO
N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1	ZINC000611390747	554630699	/nfs/dbraw/zinc/63/06/99/554630699.db2.gz	ABOFLQOQQHRMPN-LJQANCHMSA-N	1	0	362.433	1.941	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C	ZINC000612414005	554774042	/nfs/dbraw/zinc/77/40/42/554774042.db2.gz	ISWGWEIUJDSKJV-GOSISDBHSA-N	1	0	373.497	1.818	20	30		FDEDRO
C[NH+]1CCN(Cc2ccc(CNC(=O)N3CC[C@@](F)(C#N)C3)cc2)CC1	ZINC000615535500	555208626	/nfs/dbraw/zinc/20/86/26/555208626.db2.gz	QJBNIHYJXPGVKK-LJQANCHMSA-N	1	0	359.449	1.581	20	30		FDEDRO
N#C[C@]1(F)CCN(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C1	ZINC000615594469	555217511	/nfs/dbraw/zinc/21/75/11/555217511.db2.gz	KCYBXLADGOKZQL-LJQANCHMSA-N	1	0	360.433	1.790	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(CC)[C@@H]2CC[N@H+](CC)C2)cc1	ZINC000617933619	555543444	/nfs/dbraw/zinc/54/34/44/555543444.db2.gz	VDVYTYPHJNHGOI-MRXNPFEDSA-N	1	0	365.499	1.707	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(C(=O)N[C@H]3CCc4cc(C#N)ccc43)CC2)C1	ZINC000618842668	555687867	/nfs/dbraw/zinc/68/78/67/555687867.db2.gz	OYSUOBJXNVALFG-QUCCMNQESA-N	1	0	367.497	1.967	20	30		FDEDRO
CC1(C)C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C[C@@]2(CCOC2)O1	ZINC000619516437	555793624	/nfs/dbraw/zinc/79/36/24/555793624.db2.gz	ASDFIMYEKPXSRP-YLJYHZDGSA-N	1	0	360.454	1.762	20	30		FDEDRO
CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000619568617	555800306	/nfs/dbraw/zinc/80/03/06/555800306.db2.gz	IWFJVXLWURYCBX-IAGOWNOFSA-N	1	0	362.499	1.867	20	30		FDEDRO
CCN1CC[C@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1=O	ZINC000619803462	555836674	/nfs/dbraw/zinc/83/66/74/555836674.db2.gz	HAOHXRHLWJRQHX-KRWDZBQOSA-N	1	0	355.442	1.006	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)c1	ZINC000621148157	556037013	/nfs/dbraw/zinc/03/70/13/556037013.db2.gz	IQUMOVFKZNZKSP-MRXNPFEDSA-N	1	0	351.472	1.221	20	30		FDEDRO
C=CCOc1c(Cl)cc(C[NH2+]C[C@H](O)Cn2ccnn2)cc1OC	ZINC000623547082	556441268	/nfs/dbraw/zinc/44/12/68/556441268.db2.gz	HETHGAPBMKEPHQ-ZDUSSCGKSA-N	1	0	352.822	1.656	20	30		FDEDRO
C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1	ZINC000625700881	556906372	/nfs/dbraw/zinc/90/63/72/556906372.db2.gz	MVDGPUOCNNEPHP-CQSZACIVSA-N	1	0	351.472	1.773	20	30		FDEDRO
C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)C1	ZINC000625704411	556907311	/nfs/dbraw/zinc/90/73/11/556907311.db2.gz	RXRITDCPFPQRIE-CQSZACIVSA-N	1	0	351.472	1.787	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CNc2ccc(S(C)(=O)=O)cc2)CC1	ZINC000635532120	558715002	/nfs/dbraw/zinc/71/50/02/558715002.db2.gz	ZIQJCNNJZMGNOQ-UHFFFAOYSA-N	1	0	365.499	1.659	20	30		FDEDRO
N#C[C@H]1CN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)CCN1C1CC1	ZINC000365241632	568350815	/nfs/dbraw/zinc/35/08/15/568350815.db2.gz	RRGQBYXNMUVQPF-IBGZPJMESA-N	1	0	353.470	1.426	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CCCN(c3nccnc3-c3nn[nH]n3)CC2)cc1	ZINC000737711203	598339392	/nfs/dbraw/zinc/33/93/92/598339392.db2.gz	HRFDPYACGAOEQR-UHFFFAOYSA-N	1	0	361.413	1.241	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cc(-c3nn[nH]n3)cn2C(C)(C)C)CC1	ZINC000735374060	598487432	/nfs/dbraw/zinc/48/74/32/598487432.db2.gz	ALQHMZGLYDVUET-UHFFFAOYSA-N	1	0	355.446	1.707	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000272812337	674476852	/nfs/dbraw/zinc/47/68/52/674476852.db2.gz	IEYUQGFPIPLOQF-UHFFFAOYSA-N	1	0	365.499	1.551	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1	ZINC000272834136	674479095	/nfs/dbraw/zinc/47/90/95/674479095.db2.gz	MTSLMWKLDYDNKG-UHFFFAOYSA-N	1	0	351.350	1.913	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccc(-c2nn[nH]n2)cc1	ZINC000824563470	608463716	/nfs/dbraw/zinc/46/37/16/608463716.db2.gz	PBDJEDXEACXJSF-ZDUSSCGKSA-N	1	0	361.409	1.705	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@H](C)CCN1C(=O)c2ccccc2C1=O	ZINC000274444334	674592303	/nfs/dbraw/zinc/59/23/03/674592303.db2.gz	QVPJACYZCBCMPI-CYBMUJFWSA-N	1	0	350.440	1.252	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCc2nnc(SC)s2)cc1OC	ZINC000275750267	674633282	/nfs/dbraw/zinc/63/32/82/674633282.db2.gz	WPXWQRWNCHTKLA-UHFFFAOYSA-N	1	0	367.500	1.924	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1	ZINC000277086377	674853514	/nfs/dbraw/zinc/85/35/14/674853514.db2.gz	AYYDJUJCYYVPEV-MRXNPFEDSA-N	1	0	365.499	1.707	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NC[C@H](CO)Cc1cccc(Br)c1	ZINC000277504264	674956527	/nfs/dbraw/zinc/95/65/27/674956527.db2.gz	VUCUDRBHNVCZFI-WCQYABFASA-N	1	0	358.280	1.539	20	30		FDEDRO
Cc1cc(S(=O)(=O)N2CCC(OCCC[NH+](C)C)CC2)ccc1C#N	ZINC000277792959	675041765	/nfs/dbraw/zinc/04/17/65/675041765.db2.gz	GNNMIAUCEWNDNN-UHFFFAOYSA-N	1	0	365.499	1.988	20	30		FDEDRO
C[NH+]=C(NCc1sc(C)nc1C)N[C@H]1CCCN(c2cnn(C)c2)C1	ZINC000089068587	671491680	/nfs/dbraw/zinc/49/16/80/671491680.db2.gz	GNZJMGWRQVQWEC-AWEZNQCLSA-N	1	0	361.519	1.827	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)CC[N@H+](C)C2CC2)cc1	ZINC000287117170	675912666	/nfs/dbraw/zinc/91/26/66/675912666.db2.gz	KKXLPYRODYHYOP-CYBMUJFWSA-N	1	0	364.471	1.930	20	30		FDEDRO
CCNC(=O)COc1ccc(CNC(=[NH2+])NCCC(C)C)cc1OC	ZINC000104163199	671594630	/nfs/dbraw/zinc/59/46/30/671594630.db2.gz	IDJOXDLKBRWPGF-UHFFFAOYSA-N	1	0	350.463	1.661	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NCc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000104173146	671594650	/nfs/dbraw/zinc/59/46/50/671594650.db2.gz	QXVUGDDLAKGLGG-AWEZNQCLSA-N	1	0	368.503	1.300	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H](C2CC2)[NH+](C)C)ccc1F	ZINC000122473974	671717528	/nfs/dbraw/zinc/71/75/28/671717528.db2.gz	QCQJFZLZZXYIKJ-OAHLLOKOSA-N	1	0	369.462	1.360	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(C(=O)c2ccc(C#N)c(Cl)c2)CC1	ZINC000126497169	671759483	/nfs/dbraw/zinc/75/94/83/671759483.db2.gz	WPJXDMROAMHUCH-UHFFFAOYSA-N	1	0	358.829	1.109	20	30		FDEDRO
C[NH+]=C(NCCSC(F)(F)F)N1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000172285585	672066119	/nfs/dbraw/zinc/06/61/19/672066119.db2.gz	NJFCHBGSIVYKQH-LLVKDONJSA-N	1	0	368.425	1.138	20	30		FDEDRO
CCc1nsc(N2CCN(C(NCC3CCOCC3)=[NH+]C)CC2)n1	ZINC000179049111	672154050	/nfs/dbraw/zinc/15/40/50/672154050.db2.gz	MPYJPVBBANPRAZ-UHFFFAOYSA-N	1	0	352.508	1.225	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCCC[C@@H]2CO)CC1	ZINC000182680309	672215627	/nfs/dbraw/zinc/21/56/27/672215627.db2.gz	ADCLVKJEBXRWQY-HZPDHXFCSA-N	1	0	362.499	1.304	20	30		FDEDRO
CN(C)C(=O)C[NH+]=C(NCCc1cccs1)N1CC[C@]2(CCOC2)C1	ZINC000185536260	672260826	/nfs/dbraw/zinc/26/08/26/672260826.db2.gz	GBTYOUKOGOGREF-SFHVURJKSA-N	1	0	364.515	1.437	20	30		FDEDRO
CC[NH+](CC)CCN(CCOC)S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000288457447	676008957	/nfs/dbraw/zinc/00/89/57/676008957.db2.gz	VRVFRVGKKJAQRW-UHFFFAOYSA-N	1	0	353.488	1.678	20	30		FDEDRO
CN(C)C(=[NH+]CCNS(=O)(=O)c1ccc(F)cc1Cl)N(C)C	ZINC000261603844	672633821	/nfs/dbraw/zinc/63/38/21/672633821.db2.gz	AIDANJXPGXMEHI-UHFFFAOYSA-N	1	0	350.847	1.237	20	30		FDEDRO
C[NH+]=C(NCc1noc(C)n1)N[C@@H]1CCN(c2c(F)cccc2F)C1	ZINC000261667733	672646874	/nfs/dbraw/zinc/64/68/74/672646874.db2.gz	BRSBYSURZJLHEI-LLVKDONJSA-N	1	0	350.373	1.600	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1COCCO1)N(C)Cc1cc(Br)cn1C	ZINC000261666602	672646961	/nfs/dbraw/zinc/64/69/61/672646961.db2.gz	BMKVAGYGRBHUJQ-CYBMUJFWSA-N	1	0	359.268	1.210	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000288718540	676045070	/nfs/dbraw/zinc/04/50/70/676045070.db2.gz	YKAGKOVILPIJLT-UHFFFAOYSA-N	1	0	358.895	1.373	20	30		FDEDRO
C[NH+]=C(NC[C@]1(O)CCSC1)N1CCC(OC[C@H]2CCCCO2)CC1	ZINC000261681520	672650077	/nfs/dbraw/zinc/65/00/77/672650077.db2.gz	HPWABZSTPDKVFH-SJLPKXTDSA-N	1	0	371.547	1.480	20	30		FDEDRO
C[NH+]=C(NCC(C)(C)SC)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1	ZINC000261720383	672658287	/nfs/dbraw/zinc/65/82/87/672658287.db2.gz	IGUMLGWKQGYQAO-MRXNPFEDSA-N	1	0	355.508	1.014	20	30		FDEDRO
C[NH+]=C(NCc1cccc(F)c1)NCC1CCN(S(C)(=O)=O)CC1	ZINC000261735998	672661450	/nfs/dbraw/zinc/66/14/50/672661450.db2.gz	YSQNFJHCFMGUSL-UHFFFAOYSA-N	1	0	356.467	1.162	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(Cl)s1)N1CCN(C(C)(C)C(N)=O)CC1	ZINC000261781204	672671268	/nfs/dbraw/zinc/67/12/68/672671268.db2.gz	QAZIFRRHGSDDEF-UHFFFAOYSA-N	1	0	371.938	1.749	20	30		FDEDRO
C[NH+]=C(NCc1sccc1C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1	ZINC000261807365	672675145	/nfs/dbraw/zinc/67/51/45/672675145.db2.gz	SDVDCQFZEFKNPM-QGZVFWFLSA-N	1	0	363.487	1.442	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(-c2nc(C[C@@H](C)[NH2+]C)no2)ccc1F	ZINC000261908338	672692208	/nfs/dbraw/zinc/69/22/08/672692208.db2.gz	ZIMANJBUWNDTSI-SNVBAGLBSA-N	1	0	354.407	1.490	20	30		FDEDRO
C[NH+]=C(NCc1nccn1C(F)F)N1CC[C@H](Oc2ccccn2)C1	ZINC000261933685	672696798	/nfs/dbraw/zinc/69/67/98/672696798.db2.gz	BXCAQUBXGMERHX-LBPRGKRZSA-N	1	0	350.373	1.902	20	30		FDEDRO
C[NH+]=C(NC[C@]1(N(C)C)CCC[C@H](C)C1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261943805	672698848	/nfs/dbraw/zinc/69/88/48/672698848.db2.gz	FGDSUNWTBAYQCS-YJBOKZPZSA-N	1	0	372.579	1.581	20	30		FDEDRO
C[NH+]=C(NC[C@]1(N2CCOCC2)CCSC1)N(C)Cc1cccn1C	ZINC000261952845	672700939	/nfs/dbraw/zinc/70/09/39/672700939.db2.gz	HWXZAONOYBLAAT-GOSISDBHSA-N	1	0	365.547	1.240	20	30		FDEDRO
C[NH+]=C(NCc1ccc([C@H](C)O)cc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261958948	672701898	/nfs/dbraw/zinc/70/18/98/672701898.db2.gz	JOFZKMGCZPPOMT-ZDUSSCGKSA-N	1	0	353.488	1.324	20	30		FDEDRO
CCC1(CNC(NCC2CCN(S(C)(=O)=O)CC2)=[NH+]C)CCCC1	ZINC000261963374	672703467	/nfs/dbraw/zinc/70/34/67/672703467.db2.gz	KUKMFSDDKFBWGW-UHFFFAOYSA-N	1	0	358.552	1.793	20	30		FDEDRO
CC[NH+]=C(NC[C@@H](C)N1CCC(C)CC1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261977439	672705875	/nfs/dbraw/zinc/70/58/75/672705875.db2.gz	OAKISMDVPCATSW-MRXNPFEDSA-N	1	0	372.579	1.581	20	30		FDEDRO
CC[NH+]=C(NC[C@H](C)N1CCC[C@@H](C)C1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000262021427	672713169	/nfs/dbraw/zinc/71/31/69/672713169.db2.gz	YWPLUTVKIOXIFF-CVEARBPZSA-N	1	0	372.579	1.581	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCO[C@H](C(C)(C)C)C1	ZINC000262368028	672777749	/nfs/dbraw/zinc/77/77/49/672777749.db2.gz	ICGPWZFEBMMBSW-XHSDSOJGSA-N	1	0	373.563	1.958	20	30		FDEDRO
C[NH+]=C(NCc1nc(C(F)(F)F)cs1)NCc1nnc2n1CCCC2	ZINC000262426933	672787666	/nfs/dbraw/zinc/78/76/66/672787666.db2.gz	BEQKAAIVNKUSFZ-UHFFFAOYSA-N	1	0	373.408	1.955	20	30		FDEDRO
CC(C)(C)S(=O)(=O)CCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2	ZINC000262532332	672803892	/nfs/dbraw/zinc/80/38/92/672803892.db2.gz	OGWFMZVTWMRZIT-UHFFFAOYSA-N	1	0	355.460	1.788	20	30		FDEDRO
C[NH+]=C(NCCS(C)(=O)=O)N(C)Cc1ccc(Br)cc1	ZINC000262582072	672810870	/nfs/dbraw/zinc/81/08/70/672810870.db2.gz	QYZXSOZWYFMHSS-UHFFFAOYSA-N	1	0	362.293	1.501	20	30		FDEDRO
C[NH+]=C(NCc1nc(C(F)(F)F)cs1)NC1CCN(C(C)=O)CC1	ZINC000262585540	672811420	/nfs/dbraw/zinc/81/14/20/672811420.db2.gz	SFOWXDLOBLRCJN-UHFFFAOYSA-N	1	0	363.409	1.838	20	30		FDEDRO
CC[NH+]=C(NCC1CCCCC1)N1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000262584913	672811463	/nfs/dbraw/zinc/81/14/63/672811463.db2.gz	SBLDRPGKKIEPIK-KRWDZBQOSA-N	1	0	350.507	1.855	20	30		FDEDRO
C[NH+]=C(NCC1(O)CCCCC1)N1CCS(=O)(=O)C2(CCCCC2)C1	ZINC000262773765	672846911	/nfs/dbraw/zinc/84/69/11/672846911.db2.gz	IQQWUOJHWYOXLF-UHFFFAOYSA-N	1	0	371.547	1.690	20	30		FDEDRO
CC[NH+]=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)NC1CCCC1	ZINC000263142735	672863792	/nfs/dbraw/zinc/86/37/92/672863792.db2.gz	VMVLDWCYHHDOEM-UHFFFAOYSA-N	1	0	366.478	1.749	20	30		FDEDRO
CCN(CC)[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)c1ccco1	ZINC000264068744	672900235	/nfs/dbraw/zinc/90/02/35/672900235.db2.gz	CLOVGQYKJKCNEG-INIZCTEOSA-N	1	0	351.495	1.289	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CC)cc1	ZINC000264780831	672924957	/nfs/dbraw/zinc/92/49/57/672924957.db2.gz	WLOMXKCKDIIHHE-INIZCTEOSA-N	1	0	363.483	1.202	20	30		FDEDRO
COc1ccccc1O[C@@H](C)CNC(=[NH2+])NCCCN1CCOCC1	ZINC000267411722	673300976	/nfs/dbraw/zinc/30/09/76/673300976.db2.gz	IIJOZXYTYNDYSK-HNNXBMFYSA-N	1	0	350.463	1.089	20	30		FDEDRO
N#Cc1cncc(S(=O)(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1	ZINC000289422416	676133140	/nfs/dbraw/zinc/13/31/40/676133140.db2.gz	ICOFLKUYKQBYIX-UHFFFAOYSA-N	1	0	357.439	1.543	20	30		FDEDRO
COC(C)(C)CS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000289548389	676151312	/nfs/dbraw/zinc/15/13/12/676151312.db2.gz	RWZBETVUFHXHET-UHFFFAOYSA-N	1	0	353.488	1.677	20	30		FDEDRO
COc1ccc(C[NH2+]CCS(=O)(=O)N(C)C)cc1OCCCC#N	ZINC000289793998	676179214	/nfs/dbraw/zinc/17/92/14/676179214.db2.gz	YTZULKFMKGZAJI-UHFFFAOYSA-N	1	0	355.460	1.359	20	30		FDEDRO
Cn1cc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)c(-c2ccc(C#N)cc2)n1	ZINC000290203690	676191000	/nfs/dbraw/zinc/19/10/00/676191000.db2.gz	UZPDIUIXNBKALQ-OAHLLOKOSA-N	1	0	358.467	1.873	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000290296414	676195865	/nfs/dbraw/zinc/19/58/65/676195865.db2.gz	SFNPCVHRBVXLBJ-UHFFFAOYSA-N	1	0	371.890	1.385	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+](C)C[C@@H](O)COCc2ccccc2Cl)C1=O	ZINC000281500639	675524797	/nfs/dbraw/zinc/52/47/97/675524797.db2.gz	YBDWYVOVOADDMK-NVXWUHKLSA-N	1	0	352.862	1.936	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000281799242	675561022	/nfs/dbraw/zinc/56/10/22/675561022.db2.gz	PVZOJXDNXQYGGE-SOLBZPMBSA-N	1	0	364.515	1.823	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000281834638	675566458	/nfs/dbraw/zinc/56/64/58/675566458.db2.gz	VXLCOTZPAGYSHM-FUHWJXTLSA-N	1	0	364.515	1.777	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1	ZINC000282514353	675631954	/nfs/dbraw/zinc/63/19/54/675631954.db2.gz	ZWUURTMJRQJAMX-RYQLBKOJSA-N	1	0	362.499	1.386	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1	ZINC000282588815	675636889	/nfs/dbraw/zinc/63/68/89/675636889.db2.gz	HPTYDJGFWIBAPW-AEFFLSMTSA-N	1	0	364.515	1.477	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N(CC[NH+](C)C)Cc1ccccc1	ZINC000282623271	675637912	/nfs/dbraw/zinc/63/79/12/675637912.db2.gz	BOMQGZPXTZRVFN-UHFFFAOYSA-N	1	0	368.503	1.157	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1	ZINC000282803155	675641659	/nfs/dbraw/zinc/64/16/59/675641659.db2.gz	YOYZSUUNDSYSOU-CABCVRRESA-N	1	0	370.544	1.886	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000283057687	675647733	/nfs/dbraw/zinc/64/77/33/675647733.db2.gz	STZMHEQHNUIGHV-NVXWUHKLSA-N	1	0	350.488	1.719	20	30		FDEDRO
C#CCN1CCC(C(=O)NCCS(=O)(=O)CCc2ccccc2)CC1	ZINC000283138737	675649306	/nfs/dbraw/zinc/64/93/06/675649306.db2.gz	BNHLLPITSQNKLQ-UHFFFAOYSA-N	1	0	362.495	1.105	20	30		FDEDRO
COc1ccc([C@@H](CN(C)C)NS(=O)(=O)N(C)C[C@H](C)C#N)cc1	ZINC000284118632	675672086	/nfs/dbraw/zinc/67/20/86/675672086.db2.gz	XJVBPEPYMWDBGO-CZUORRHYSA-N	1	0	354.476	1.224	20	30		FDEDRO
CN1C(=O)N[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC[C@@H]21	ZINC000285996190	675859373	/nfs/dbraw/zinc/85/93/73/675859373.db2.gz	YRDUXTMBCSYOQI-CABCVRRESA-N	1	0	361.833	1.638	20	30		FDEDRO
C=C[C@H](CO)NC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000291192521	676248775	/nfs/dbraw/zinc/24/87/75/676248775.db2.gz	ICQQRIHDZQSFFD-DZGCQCFKSA-N	1	0	350.438	1.485	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1	ZINC000292024594	676279196	/nfs/dbraw/zinc/27/91/96/676279196.db2.gz	VXZOYZPYSRRYQZ-GOSISDBHSA-N	1	0	362.495	1.178	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2nnc3ccc(Br)cn32)CC1	ZINC000295359682	676404699	/nfs/dbraw/zinc/40/46/99/676404699.db2.gz	CGSXXVNQWKPYHQ-UHFFFAOYSA-N	1	0	362.231	1.776	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C	ZINC000296894165	676421865	/nfs/dbraw/zinc/42/18/65/676421865.db2.gz	MMSGXHRGDZGVMJ-CHWSQXEVSA-N	1	0	362.396	1.183	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1cc(F)ccc1Br	ZINC000303780807	676542791	/nfs/dbraw/zinc/54/27/91/676542791.db2.gz	LRFHRHBEXNJMRY-UHFFFAOYSA-N	1	0	373.270	1.585	20	30		FDEDRO
[NH2+]=C(NCCNS(=O)(=O)c1ccccc1)NCCc1cccs1	ZINC000303781044	676542809	/nfs/dbraw/zinc/54/28/09/676542809.db2.gz	LYKDPIUSUIUVBJ-UHFFFAOYSA-N	1	0	352.485	1.173	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H]2CCCO[C@@H]2C(C)C)CC1	ZINC000304764076	676544524	/nfs/dbraw/zinc/54/45/24/676544524.db2.gz	XOAIGLQQUZKBGH-GOEBONIOSA-N	1	0	354.495	1.963	20	30		FDEDRO
CCOc1cc(Cl)ccc1CNC(=[NH2+])NCCCN1CCOCC1	ZINC000305227428	676544977	/nfs/dbraw/zinc/54/49/77/676544977.db2.gz	ZRWBUWRZPNJYPW-UHFFFAOYSA-N	1	0	354.882	1.865	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCC1(c2ccccc2Cl)CC1	ZINC000305697637	676545295	/nfs/dbraw/zinc/54/52/95/676545295.db2.gz	SORCHEBBJWILAO-UHFFFAOYSA-N	1	0	350.894	1.869	20	30		FDEDRO
CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNS(=O)(=O)[C@@H](C)C#N	ZINC000416608859	679690539	/nfs/dbraw/zinc/69/05/39/679690539.db2.gz	SSANQXXRTVWGHC-USXIJHARSA-N	1	0	351.472	1.355	20	30		FDEDRO
COC(=O)CC[N@H+](CCC(=O)Nc1sccc1C#N)C[C@@H]1CCCO1	ZINC000327246477	676590345	/nfs/dbraw/zinc/59/03/45/676590345.db2.gz	RSHTVDMVGBJTFI-AWEZNQCLSA-N	1	0	365.455	1.992	20	30		FDEDRO
C[C@H](O)C[C@@H]1CCCN1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000328692708	676602528	/nfs/dbraw/zinc/60/25/28/676602528.db2.gz	FJGJJSAWFBINLI-OWLYRPNTSA-N	1	0	353.507	1.904	20	30		FDEDRO
CS(=O)(=O)[C@H]1CCCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1	ZINC000328721651	676604171	/nfs/dbraw/zinc/60/41/71/676604171.db2.gz	RKEBHIIKGSGYGM-INIZCTEOSA-N	1	0	357.520	1.674	20	30		FDEDRO
C[C@H](CNC(=O)CN1C(=O)CSc2ccccc21)N1CC[NH+](C)CC1	ZINC000328793566	676607102	/nfs/dbraw/zinc/60/71/02/676607102.db2.gz	RZTWTDQVUYEQPX-CQSZACIVSA-N	1	0	362.499	1.718	20	30		FDEDRO
Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000328904880	676611678	/nfs/dbraw/zinc/61/16/78/676611678.db2.gz	AKFHGBZVGJGJBU-YUTCNCBUSA-N	1	0	370.475	1.542	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2CCOC[C@@H]2[C@@H]2CCC[C@@H]2OC)CC1	ZINC000328962080	676613996	/nfs/dbraw/zinc/61/39/96/676613996.db2.gz	KZXMCYCHVDZHLE-KSZLIROESA-N	1	0	353.507	1.943	20	30		FDEDRO
CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CCOC3(CCSCC3)C2)[N@H+](C)C1	ZINC000328968347	676614246	/nfs/dbraw/zinc/61/42/46/676614246.db2.gz	AIFMBJYKYAFQNK-PMPSAXMXSA-N	1	0	371.547	1.996	20	30		FDEDRO
O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCCS(=O)(=O)CC1	ZINC000328975765	676614772	/nfs/dbraw/zinc/61/47/72/676614772.db2.gz	BMQQBNOAAZIBJV-UHFFFAOYSA-N	1	0	357.520	1.818	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2OCCN(C(=O)CNC(=O)c3c(F)cccc3Cl)[C@@H]2C1	ZINC000329022261	676616552	/nfs/dbraw/zinc/61/65/52/676616552.db2.gz	MLZKZYKNVIFVSD-KGLIPLIRSA-N	1	0	369.824	1.715	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@]1(C)O	ZINC000329040360	676617060	/nfs/dbraw/zinc/61/70/60/676617060.db2.gz	HZKXZLREJWLZQD-SFNKJDCFSA-N	1	0	352.523	1.552	20	30		FDEDRO
CC(C)[C@H](CNC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)[NH+]1CCCC1	ZINC000329121001	676621230	/nfs/dbraw/zinc/62/12/30/676621230.db2.gz	QGOMLDTUMHOHBM-GJZGRUSLSA-N	1	0	360.524	1.034	20	30		FDEDRO
COCc1ccsc1C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1	ZINC000329171821	676623711	/nfs/dbraw/zinc/62/37/11/676623711.db2.gz	KTLBGRLMIXZVBF-AWEZNQCLSA-N	1	0	351.472	1.894	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H](C(=O)N2CCCC2)C1	ZINC000329234838	676627469	/nfs/dbraw/zinc/62/74/69/676627469.db2.gz	MZTCVLYRIGRJKK-IAGOWNOFSA-N	1	0	350.507	1.965	20	30		FDEDRO
C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000329248877	676628503	/nfs/dbraw/zinc/62/85/03/676628503.db2.gz	WVRWRDALWICRNG-FRRDWIJNSA-N	1	0	362.396	1.622	20	30		FDEDRO
CC(=O)NC1CCC(NC(=O)N2CC[NH+](C3CCOCC3)CC2)CC1	ZINC000329321951	676633244	/nfs/dbraw/zinc/63/32/44/676633244.db2.gz	UQRJHRFZZUKXIN-UHFFFAOYSA-N	1	0	352.479	1.985	20	30		FDEDRO
C[C@H](CNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O)[NH+]1CCC(C)CC1	ZINC000329470295	676640078	/nfs/dbraw/zinc/64/00/78/676640078.db2.gz	YSSVUUBDVOAIRU-XDNAFOTISA-N	1	0	353.507	1.883	20	30		FDEDRO
CC[C@@H]1CN(C(=O)NCC2CC[NH+](C3CC3)CC2)C[C@@H](C)S1(=O)=O	ZINC000329474128	676640282	/nfs/dbraw/zinc/64/02/82/676640282.db2.gz	NLKROHSAAZWFAO-CZUORRHYSA-N	1	0	357.520	1.672	20	30		FDEDRO
CC(C)C[NH+]1CCC(NC(=O)N2CC[C@H](NC(=O)NC3CC3)C2)CC1	ZINC000329520556	676642528	/nfs/dbraw/zinc/64/25/28/676642528.db2.gz	OMELXFWVUXYRLJ-INIZCTEOSA-N	1	0	351.495	1.761	20	30		FDEDRO
Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)no1	ZINC000329564532	676644294	/nfs/dbraw/zinc/64/42/94/676644294.db2.gz	KDLTXBLNTLQUEM-MXAVVETBSA-N	1	0	353.442	1.977	20	30		FDEDRO
O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CCOCC2(CCC2)C1	ZINC000329581403	676644958	/nfs/dbraw/zinc/64/49/58/676644958.db2.gz	PYEOSYXJYRBXAA-MRXNPFEDSA-N	1	0	351.491	1.904	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H]2COCCN2C2CCCC2)CC1	ZINC000329584922	676645173	/nfs/dbraw/zinc/64/51/73/676645173.db2.gz	XXSUEBVJCBMTDX-KRWDZBQOSA-N	1	0	353.507	1.822	20	30		FDEDRO
C[NH+]1CCC([C@@H]2CCN(C(=O)NC[C@@H]3CCCCS3(=O)=O)C2)CC1	ZINC000329663762	676648318	/nfs/dbraw/zinc/64/83/18/676648318.db2.gz	QCXDUONJLNSKEW-CVEARBPZSA-N	1	0	357.520	1.531	20	30		FDEDRO
C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1cccc(N2CCCS2(=O)=O)c1	ZINC000329695268	676649832	/nfs/dbraw/zinc/64/98/32/676649832.db2.gz	XLBGRZWDYYQAJB-UONOGXRCSA-N	1	0	366.487	1.796	20	30		FDEDRO
C[C@@H](NC(=O)N1CCS(=O)(=O)C2(CCCCC2)C1)C1=CC[N@H+](C)CC1	ZINC000329702170	676650346	/nfs/dbraw/zinc/65/03/46/676650346.db2.gz	HWKVCPYXFPJMMR-OAHLLOKOSA-N	1	0	369.531	1.984	20	30		FDEDRO
CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1	ZINC000329717301	676651296	/nfs/dbraw/zinc/65/12/96/676651296.db2.gz	XLVPNLCMXLHSDT-HUUCEWRRSA-N	1	0	372.535	1.131	20	30		FDEDRO
CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)C1	ZINC000329744921	676652577	/nfs/dbraw/zinc/65/25/77/676652577.db2.gz	YDKQEOQKNJRCEZ-AIANPOQGSA-N	1	0	352.479	1.983	20	30		FDEDRO
O=C(NC[C@H]1CCCCS1(=O)=O)N1CCC([NH+]2CCCCC2)CC1	ZINC000329761036	676653372	/nfs/dbraw/zinc/65/33/72/676653372.db2.gz	QZCKVTIARGSEJF-MRXNPFEDSA-N	1	0	357.520	1.818	20	30		FDEDRO
Cc1nsc(N2CCCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)n1	ZINC000329773133	676655005	/nfs/dbraw/zinc/65/50/05/676655005.db2.gz	LIACVCOAKULIMT-HUUCEWRRSA-N	1	0	364.519	1.899	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)NCC(=O)N(C)C2CCCCC2)C[C@@H]1C	ZINC000329811635	676658282	/nfs/dbraw/zinc/65/82/82/676658282.db2.gz	CUAYGLPYHYDXSG-GJZGRUSLSA-N	1	0	354.495	1.078	20	30		FDEDRO
O=C(NC[C@@H]1CCCO1)c1cccc(C[NH2+]C2CCS(=O)(=O)CC2)c1	ZINC000329815750	676658750	/nfs/dbraw/zinc/65/87/50/676658750.db2.gz	OAJZVUNXAPXVIL-KRWDZBQOSA-N	1	0	366.483	1.837	20	30		FDEDRO
CC1(C)C(=O)NC(=O)N1CC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000329839780	676660237	/nfs/dbraw/zinc/66/02/37/676660237.db2.gz	NXFYUQHAVLSZGX-LBPRGKRZSA-N	1	0	352.435	1.615	20	30		FDEDRO
CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H]2CCCS(=O)(=O)C2)CC1	ZINC000329851429	676660604	/nfs/dbraw/zinc/66/06/04/676660604.db2.gz	QTPDEXUFYYFSKJ-MRXNPFEDSA-N	1	0	359.536	1.825	20	30		FDEDRO
O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCO[C@@]2(CCOC2)C1	ZINC000329876976	676661978	/nfs/dbraw/zinc/66/19/78/676661978.db2.gz	IQDZUBBGPHSZGI-SFHVURJKSA-N	1	0	353.463	1.037	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)CC3(C#N)CCCCC3)C2)CC1	ZINC000329997592	676668096	/nfs/dbraw/zinc/66/80/96/676668096.db2.gz	QUMSZLRKVDILAS-KRWDZBQOSA-N	1	0	368.547	1.502	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1CCCCS1(=O)=O	ZINC000330020479	676669008	/nfs/dbraw/zinc/66/90/08/676669008.db2.gz	AGTYWJWSGAETRN-OWCLPIDISA-N	1	0	358.504	1.678	20	30		FDEDRO
C[NH+](C)[C@@]1(CNC(=O)CCN2C(=O)NC3(CCCC3)C2=O)CCSC1	ZINC000330048061	676670211	/nfs/dbraw/zinc/67/02/11/676670211.db2.gz	JUWGWLXTUJCYMW-MRXNPFEDSA-N	1	0	368.503	1.839	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2CCSC[C@H]2c2cnn(C)c2)CC1	ZINC000330097483	676672403	/nfs/dbraw/zinc/67/24/03/676672403.db2.gz	ATTKYHNPCNUROA-INIZCTEOSA-N	1	0	351.520	1.951	20	30		FDEDRO
Cc1noc([C@@H]2CCCN(C(=O)NC[C@]3([NH+](C)C)CCSC3)C2)n1	ZINC000330172316	676676489	/nfs/dbraw/zinc/67/64/89/676676489.db2.gz	XWCLDXXYLYWSDN-CZUORRHYSA-N	1	0	353.492	1.909	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)CCSC1	ZINC000330212184	676678812	/nfs/dbraw/zinc/67/88/12/676678812.db2.gz	JWOVWRUGUYIMDY-VNQPRFMTSA-N	1	0	359.561	1.982	20	30		FDEDRO
C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)N[C@H]1CCOC2(CCSCC2)C1	ZINC000330213082	676679003	/nfs/dbraw/zinc/67/90/03/676679003.db2.gz	KRCKJVWBYNRKGF-OWCLPIDISA-N	1	0	371.547	1.732	20	30		FDEDRO
Cc1noc(COCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)n1	ZINC000330220710	676679657	/nfs/dbraw/zinc/67/96/57/676679657.db2.gz	QNFIAAGXAVJXND-HUUCEWRRSA-N	1	0	352.435	1.619	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	ZINC000330232748	676679847	/nfs/dbraw/zinc/67/98/47/676679847.db2.gz	RUCLXYJGKJDOAQ-IMJJTQAJSA-N	1	0	352.479	1.841	20	30		FDEDRO
C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCC[C@@H](CN2CCOCC2)C1	ZINC000330384403	676687814	/nfs/dbraw/zinc/68/78/14/676687814.db2.gz	RFNLTYANJQAIJR-GJZGRUSLSA-N	1	0	354.495	1.248	20	30		FDEDRO
C[NH+](C)CCCC1CCN(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1	ZINC000330556158	676696581	/nfs/dbraw/zinc/69/65/81/676696581.db2.gz	FONWVOSSUFVWNJ-MRXNPFEDSA-N	1	0	374.551	1.378	20	30		FDEDRO
C[NH+](C)CC1(CNC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)CCCC1	ZINC000330854805	676706635	/nfs/dbraw/zinc/70/66/35/676706635.db2.gz	HKQYADQHMDREMZ-OAHLLOKOSA-N	1	0	374.551	1.284	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNC(=O)c2c[nH]c(=O)c(Br)c2)CC1	ZINC000330889955	676708299	/nfs/dbraw/zinc/70/82/99/676708299.db2.gz	HDFJIUXIYDWMTA-NSHDSACASA-N	1	0	371.279	1.880	20	30		FDEDRO
C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)Nc2ccn(CC[NH+](C)C)n2)C1	ZINC000331100800	676716647	/nfs/dbraw/zinc/71/66/47/676716647.db2.gz	CWKCBOHFMBZCBW-RDTXWAMCSA-N	1	0	351.495	2.348	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(S(=O)(=O)NC)cn2)C[C@H]1C	ZINC000331152264	676718941	/nfs/dbraw/zinc/71/89/41/676718941.db2.gz	IFMWGNVIGGQEPX-OLZOCXBDSA-N	1	0	369.491	1.340	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCC2CCN(S(=O)(=O)N(C)CCC#N)CC2)C[C@H](C)O1	ZINC000331167138	676719618	/nfs/dbraw/zinc/71/96/18/676719618.db2.gz	DXNJUIVBESMGBO-IYBDPMFKSA-N	1	0	372.535	1.288	20	30		FDEDRO
CN(CC1(O)CCOCC1)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1	ZINC000331214828	676722164	/nfs/dbraw/zinc/72/21/64/676722164.db2.gz	CATIFGGFHABRBS-UHFFFAOYSA-N	1	0	353.438	1.775	20	30		FDEDRO
Cn1cc([C@@H](NC(=O)N2CC[NH+](CC(C)(C)O)CC2)C(F)(F)F)cn1	ZINC000331324900	676727556	/nfs/dbraw/zinc/72/75/56/676727556.db2.gz	NHKNTBVWPXCAJK-GFCCVEGCSA-N	1	0	363.384	1.326	20	30		FDEDRO
Cn1cc(NC(=O)N2CCC([N@H+](C)CCCO)CC2)c(C(F)(F)F)n1	ZINC000331335494	676727877	/nfs/dbraw/zinc/72/78/77/676727877.db2.gz	XTCVMXBTRDIYTB-UHFFFAOYSA-N	1	0	363.384	1.763	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)[C@@H]1CCSC1	ZINC000331839589	676734623	/nfs/dbraw/zinc/73/46/23/676734623.db2.gz	AJHBTHMXXNICQN-MSOLQXFVSA-N	1	0	358.511	1.660	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1	ZINC000332685761	676744205	/nfs/dbraw/zinc/74/42/05/676744205.db2.gz	IZPNDMOZNJGLHO-HOTGVXAUSA-N	1	0	364.515	1.749	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N([C@@H]2CC[N@@H+](CCCOCC)C[C@H]2C)C1=O	ZINC000348578442	676786903	/nfs/dbraw/zinc/78/69/03/676786903.db2.gz	WKCOAHOEYZOJOR-OWCLPIDISA-N	1	0	353.463	1.246	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[N@H+](CC(C)(C)O)CC1	ZINC000364266228	677003489	/nfs/dbraw/zinc/00/34/89/677003489.db2.gz	PERBKMBFJBLQBJ-INIZCTEOSA-N	1	0	350.507	1.496	20	30		FDEDRO
C[N@@H+]1CC[C@H](CNS(=O)(=O)c2cccnc2C#N)[C@H]1c1cccs1	ZINC000364331837	677008490	/nfs/dbraw/zinc/00/84/90/677008490.db2.gz	MGKJRCIVMJIHKC-WBMJQRKESA-N	1	0	362.480	1.986	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(CN2CCCN(S(=O)(=O)N(C)C)CC2)cc1	ZINC000367971796	677497117	/nfs/dbraw/zinc/49/71/17/677497117.db2.gz	FNDUWGPZPSMKIC-HNNXBMFYSA-N	1	0	366.487	1.292	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)N2CCc3sccc3C2)CC1	ZINC000370794044	677615283	/nfs/dbraw/zinc/61/52/83/677615283.db2.gz	PINIPDJSESSXME-AWEZNQCLSA-N	1	0	359.495	1.483	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CCN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c1	ZINC000371099478	677646543	/nfs/dbraw/zinc/64/65/43/677646543.db2.gz	LCASICQDBXJBGA-NEWSRXKRSA-N	1	0	359.495	1.748	20	30		FDEDRO
CN1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)C[C@@H]1C#N	ZINC000372140524	677849622	/nfs/dbraw/zinc/84/96/22/677849622.db2.gz	PAPILAFDCSPXKG-YQQAZPJKSA-N	1	0	361.515	1.980	20	30		FDEDRO
N#Cc1cc2c(nc1N1CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC1)CCC2	ZINC000372993142	678004888	/nfs/dbraw/zinc/00/48/88/678004888.db2.gz	NYVWIXSCQQJWBV-MRXNPFEDSA-N	1	0	360.483	1.187	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1	ZINC000374454318	678081624	/nfs/dbraw/zinc/08/16/24/678081624.db2.gz	VLZXWCAHVOYJGZ-RYRKJORJSA-N	1	0	364.515	1.823	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1	ZINC000374462722	678083214	/nfs/dbraw/zinc/08/32/14/678083214.db2.gz	OBAVAXCIGFELNM-SJLPKXTDSA-N	1	0	364.515	1.919	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)CC1	ZINC000374655127	678089079	/nfs/dbraw/zinc/08/90/79/678089079.db2.gz	LRBSWVXANHCRKR-RDJZCZTQSA-N	1	0	351.491	1.504	20	30		FDEDRO
C[C@@H](CO)[N@@H+]1CCCN(CC(=O)Nc2ccccc2SCC#N)CC1	ZINC000375480094	678101642	/nfs/dbraw/zinc/10/16/42/678101642.db2.gz	ABBKFNLCLNOGLY-HNNXBMFYSA-N	1	0	362.499	1.629	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](N3CCOCC3)C[C@@H]2C)CC1	ZINC000376327845	678276061	/nfs/dbraw/zinc/27/60/61/678276061.db2.gz	NAJOQXVPPVWCKV-FUHWJXTLSA-N	1	0	350.507	1.532	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000377294243	678509850	/nfs/dbraw/zinc/50/98/50/678509850.db2.gz	AAKBCNBDGQKQAG-SQNIBIBYSA-N	1	0	363.483	1.572	20	30		FDEDRO
CN(C)S(=O)(=O)N1CCC[N@H+](CCCOc2cccc(C#N)c2)CC1	ZINC000377778182	678610782	/nfs/dbraw/zinc/61/07/82/678610782.db2.gz	OZOIFFQHCDLWTC-UHFFFAOYSA-N	1	0	366.487	1.141	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1cccnc1C#N	ZINC000389883063	678777861	/nfs/dbraw/zinc/77/78/61/678777861.db2.gz	PMRVUNIARGHILJ-YOEHRIQHSA-N	1	0	356.451	1.752	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)c2cccc(C#N)c2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000408027487	678824474	/nfs/dbraw/zinc/82/44/74/678824474.db2.gz	LNFSWIHWMNXPME-MAUKXSAKSA-N	1	0	362.499	1.205	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1	ZINC000409488297	678849180	/nfs/dbraw/zinc/84/91/80/678849180.db2.gz	VFZBNXRDVXIKRD-HZPDHXFCSA-N	1	0	352.504	1.823	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C	ZINC000409554556	678858984	/nfs/dbraw/zinc/85/89/84/678858984.db2.gz	QQDUOXWCQSDKBL-INIZCTEOSA-N	1	0	354.476	1.368	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C	ZINC000409589362	678864827	/nfs/dbraw/zinc/86/48/27/678864827.db2.gz	PMOPATUIOHYLNF-RDJZCZTQSA-N	1	0	352.504	1.914	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)N(CC)C[C@@H](C)C#N)[C@@H](C)C1	ZINC000410124237	678880171	/nfs/dbraw/zinc/88/01/71/678880171.db2.gz	WIIHMPISQGRQNL-ULQDDVLXSA-N	1	0	374.551	1.439	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1	ZINC000410138157	678882896	/nfs/dbraw/zinc/88/28/96/678882896.db2.gz	CWSWSTJDGFACRC-ZACQAIPSSA-N	1	0	370.519	1.042	20	30		FDEDRO
C=C(C)CN(C)C(=O)C(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1	ZINC000410807216	678952984	/nfs/dbraw/zinc/95/29/84/678952984.db2.gz	HUSSLYPUNDZQSB-UHFFFAOYSA-N	1	0	353.507	1.618	20	30		FDEDRO
CN(CCC#N)C[C@H](O)CSc1nnc(NCc2ccco2)s1	ZINC000414097015	679330280	/nfs/dbraw/zinc/33/02/80/679330280.db2.gz	MTIQWCISERYCQS-NSHDSACASA-N	1	0	353.473	2.042	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC2CC[NH2+]CC2)cc1	ZINC000414891865	679372779	/nfs/dbraw/zinc/37/27/79/679372779.db2.gz	IOWYSGQWONQFLM-UHFFFAOYSA-N	1	0	352.460	1.367	20	30		FDEDRO
N#Cc1ccc(NC(=O)NCCCN2CC[NH2+]CC2)cc1C(F)(F)F	ZINC000415213441	679391724	/nfs/dbraw/zinc/39/17/24/679391724.db2.gz	NUKVMUAUVXGBOM-UHFFFAOYSA-N	1	0	355.364	1.994	20	30		FDEDRO
N#Cc1cccc(-c2csc(NC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)n2)c1	ZINC000415272897	679399961	/nfs/dbraw/zinc/39/99/61/679399961.db2.gz	ULTPBIKRSKTMPZ-CYBMUJFWSA-N	1	0	355.423	1.570	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)ccc1OC(F)(F)F	ZINC000415387101	679420845	/nfs/dbraw/zinc/42/08/45/679420845.db2.gz	XHKDBYUTJMJGRC-LLVKDONJSA-N	1	0	356.304	1.264	20	30		FDEDRO
CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000415425042	679428746	/nfs/dbraw/zinc/42/87/46/679428746.db2.gz	JJNZNZZLTIHPJT-LBPRGKRZSA-N	1	0	367.247	1.749	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1	ZINC000415557090	679450983	/nfs/dbraw/zinc/45/09/83/679450983.db2.gz	CVQPEZYGIAHJQD-GXSJLCMTSA-N	1	0	365.231	1.455	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NCC2([NH3+])CCC2)ccc1Br	ZINC000415565035	679453352	/nfs/dbraw/zinc/45/33/52/679453352.db2.gz	QOTKARJOZBHQJI-UHFFFAOYSA-N	1	0	351.204	1.257	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC[NH2+]CC2(C)C)cc1	ZINC000415600320	679462089	/nfs/dbraw/zinc/46/20/89/679462089.db2.gz	NQZWFFRQVWJXPC-WFASDCNBSA-N	1	0	364.471	1.882	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC[C@H]2CCC[NH2+]2)cc1	ZINC000415602462	679462869	/nfs/dbraw/zinc/46/28/69/679462869.db2.gz	RUIDBTDSZYBVFC-CHWSQXEVSA-N	1	0	350.444	1.636	20	30		FDEDRO
CN1CC[NH2+]C[C@@H]1CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000415652200	679472077	/nfs/dbraw/zinc/47/20/77/679472077.db2.gz	DAASSCNCXPBWLU-GFCCVEGCSA-N	1	0	357.336	1.482	20	30		FDEDRO
N#CCc1ccc(NC(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c(Cl)c1	ZINC000415734787	679488721	/nfs/dbraw/zinc/48/87/21/679488721.db2.gz	XVKNRWYPUHOBGR-SFHVURJKSA-N	1	0	360.845	1.947	20	30		FDEDRO
C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000415740594	679489967	/nfs/dbraw/zinc/48/99/67/679489967.db2.gz	JFSMMXFORPHWBR-UFBFGSQYSA-N	1	0	351.204	1.207	20	30		FDEDRO
N#CCCSc1ccccc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1	ZINC000415752309	679492572	/nfs/dbraw/zinc/49/25/72/679492572.db2.gz	XCBKATWNXQKYIJ-UONOGXRCSA-N	1	0	358.467	1.699	20	30		FDEDRO
CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@H](CC[NH3+])C(F)(F)F	ZINC000416044739	679548630	/nfs/dbraw/zinc/54/86/30/679548630.db2.gz	MNUXQBUNPGJUSK-CQSZACIVSA-N	1	0	358.364	1.996	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC[NH2+]C1CCCCCC1	ZINC000418818681	680129315	/nfs/dbraw/zinc/12/93/15/680129315.db2.gz	CABQWSWSZJKXML-WBVHZDCISA-N	1	0	351.491	1.512	20	30		FDEDRO
C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCCSCc1ccccc1C#N	ZINC000418923859	680154351	/nfs/dbraw/zinc/15/43/51/680154351.db2.gz	OMTQYDRGUDUGPO-CZUORRHYSA-N	1	0	360.483	1.164	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@H]1C[NH3+])c1ccc(F)c(F)c1	ZINC000419676383	680316589	/nfs/dbraw/zinc/31/65/89/680316589.db2.gz	LTISDKLTFCRHTB-MAZHCROVSA-N	1	0	351.397	1.942	20	30		FDEDRO
CC(C)(C)[C@@H](C[NH3+])NS(=O)(=O)c1cccc(Br)c1C#N	ZINC000420456187	680460676	/nfs/dbraw/zinc/46/06/76/680460676.db2.gz	ZCHHOJSRCOKBGB-GFCCVEGCSA-N	1	0	360.277	1.972	20	30		FDEDRO
C[C@@H]1CC[C@@H](O)C[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000420995845	680586447	/nfs/dbraw/zinc/58/64/47/680586447.db2.gz	ABYCZIAHPDZHDP-OAGGEKHMSA-N	1	0	362.499	1.302	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H](CCO)CC2)CC1	ZINC000421019220	680589748	/nfs/dbraw/zinc/58/97/48/680589748.db2.gz	PDUQSCCCUJOTKO-ROUUACIJSA-N	1	0	350.507	1.163	20	30		FDEDRO
COCC(C)(C)[NH+]1CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1	ZINC000425514821	680907144	/nfs/dbraw/zinc/90/71/44/680907144.db2.gz	QGMPIPKUMIBJCK-MRXNPFEDSA-N	1	0	350.507	1.760	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1C(F)(F)F	ZINC000427940198	680990420	/nfs/dbraw/zinc/99/04/20/680990420.db2.gz	KWQBUFQBBKLGGG-SMDDNHRTSA-N	1	0	359.373	1.950	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1	ZINC000428414226	681001297	/nfs/dbraw/zinc/00/12/97/681001297.db2.gz	OOXWIRLDMFHICQ-ZDUSSCGKSA-N	1	0	352.456	1.775	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N(C)CCCNC(=O)C2CCC2)CC1	ZINC000428629744	681010081	/nfs/dbraw/zinc/01/00/81/681010081.db2.gz	OFDXXTXFUNXEHL-UHFFFAOYSA-N	1	0	350.507	1.975	20	30		FDEDRO
CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCOc1cccc(C#N)c1	ZINC000429705601	681044910	/nfs/dbraw/zinc/04/49/10/681044910.db2.gz	DANQOPCIUPUPMF-IAGOWNOFSA-N	1	0	351.472	1.777	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)c1	ZINC000435227730	681575872	/nfs/dbraw/zinc/57/58/72/681575872.db2.gz	VERKBKGTIYIKDQ-OAHLLOKOSA-N	1	0	351.472	1.317	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)c1ccc(C#N)s1	ZINC000435444805	681595009	/nfs/dbraw/zinc/59/50/09/681595009.db2.gz	STTNDJSYZKYCLL-UHFFFAOYSA-N	1	0	350.469	1.767	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1	ZINC000437776606	681812725	/nfs/dbraw/zinc/81/27/25/681812725.db2.gz	PTLPTYAMRXEQFM-KSZLIROESA-N	1	0	352.523	1.540	20	30		FDEDRO
C[NH+](C)[C@]1(CNS(=O)(=O)c2ccc(Cl)cc2C#N)CCSC1	ZINC000443370065	682288068	/nfs/dbraw/zinc/28/80/68/682288068.db2.gz	HYMJKUYDUKCWMP-AWEZNQCLSA-N	1	0	359.904	1.927	20	30		FDEDRO
C[N@@H+]1CCCN(C(=O)COc2cccc(Br)c2C#N)CC1	ZINC000449064651	682663563	/nfs/dbraw/zinc/66/35/63/682663563.db2.gz	VSNRDOFPAPXAAM-UHFFFAOYSA-N	1	0	352.232	1.864	20	30		FDEDRO
C[N@H+](CCNC(=O)COc1ccc(C#N)c(Br)c1)C1CC1	ZINC000449804617	682713040	/nfs/dbraw/zinc/71/30/40/682713040.db2.gz	MWTKTVGUIQICNG-UHFFFAOYSA-N	1	0	352.232	1.910	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CNC(=O)COc1cccc(Br)c1C#N	ZINC000449825930	682715906	/nfs/dbraw/zinc/71/59/06/682715906.db2.gz	QMOPSGULFOFFRQ-LLVKDONJSA-N	1	0	352.232	1.910	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)N(C)CCC#N)CC[N@H+](Cc2ccccc2)C1	ZINC000451929256	682970563	/nfs/dbraw/zinc/97/05/63/682970563.db2.gz	PMHQNGDZWGZOPG-MRXNPFEDSA-N	1	0	350.488	1.531	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000453613050	683169879	/nfs/dbraw/zinc/16/98/79/683169879.db2.gz	NHJRGIZWBVMXBU-VXGBXAGGSA-N	1	0	363.849	1.782	20	30		FDEDRO
COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453644392	683175181	/nfs/dbraw/zinc/17/51/81/683175181.db2.gz	QVYCSQCDLCGUQG-UHFFFAOYSA-N	1	0	366.849	1.381	20	30		FDEDRO
CSC1(CNC(=O)C(=O)Nc2cc(C)cc(C#N)c2)CC[NH+](C)CC1	ZINC000453751738	683205372	/nfs/dbraw/zinc/20/53/72/683205372.db2.gz	OIOJYRLFIFLYJP-UHFFFAOYSA-N	1	0	360.483	1.749	20	30		FDEDRO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@H](O)[C@H](CO)C3)sc2C1	ZINC000459711697	684448540	/nfs/dbraw/zinc/44/85/40/684448540.db2.gz	SVDDGQSMCIBFIH-XUJVJEKNSA-N	1	0	363.483	1.358	20	30		FDEDRO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3C[C@H](CO)[C@H](O)C3)sc2C1	ZINC000459711690	684448597	/nfs/dbraw/zinc/44/85/97/684448597.db2.gz	SVDDGQSMCIBFIH-LALPHHSUSA-N	1	0	363.483	1.358	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@H](NC(=O)NC)C1)C(C)C	ZINC000467806422	684877260	/nfs/dbraw/zinc/87/72/60/684877260.db2.gz	RPNYWDXMCZNPSY-CVEARBPZSA-N	1	0	351.495	1.398	20	30		FDEDRO
CC[NH+]1CCN(CC(=O)N[C@@H](C#N)c2ccc(Br)cc2)CC1	ZINC000468611382	684913941	/nfs/dbraw/zinc/91/39/41/684913941.db2.gz	UWKNWIZYSWSBCM-HNNXBMFYSA-N	1	0	365.275	1.767	20	30		FDEDRO
N#Cc1cc(C(=O)NCC2CC[NH+](CCO)CC2)cnc1C(F)(F)F	ZINC000477005617	685801770	/nfs/dbraw/zinc/80/17/70/685801770.db2.gz	SVYKXIGZVUTZPU-UHFFFAOYSA-N	1	0	356.348	1.406	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCC1CC[NH+](CCC)CC1	ZINC000477638356	685869204	/nfs/dbraw/zinc/86/92/04/685869204.db2.gz	CPPOHCHWTBTSFK-IAGOWNOFSA-N	1	0	351.491	1.322	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C	ZINC000479980045	686072939	/nfs/dbraw/zinc/07/29/39/686072939.db2.gz	MTTXHKDLCPSELJ-JYJNAYRXSA-N	1	0	353.507	1.566	20	30		FDEDRO
CCCNC(=O)CN1CCC(NC(=O)NCC(C)(C)CCC#N)CC1	ZINC000480570241	686190272	/nfs/dbraw/zinc/19/02/72/686190272.db2.gz	UDJYXMSAGAKPKP-UHFFFAOYSA-N	1	0	351.495	1.606	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1	ZINC000481003810	686278075	/nfs/dbraw/zinc/27/80/75/686278075.db2.gz	ARGJDFYWISILCI-IYBDPMFKSA-N	1	0	353.507	1.568	20	30		FDEDRO
C[C@H](NS(=O)(=O)N(C)CCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000486682994	686924939	/nfs/dbraw/zinc/92/49/39/686924939.db2.gz	KFRATRJMNRSYCL-RDJZCZTQSA-N	1	0	350.488	1.577	20	30		FDEDRO
C[C@@H]1OCC[C@]1(C)[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000494270603	687516190	/nfs/dbraw/zinc/51/61/90/687516190.db2.gz	IUROTWAMVMEXSP-DAYGRLMNSA-N	1	0	362.499	1.614	20	30		FDEDRO
CC[C@@]1(O)CC[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1	ZINC000495263830	687614013	/nfs/dbraw/zinc/61/40/13/687614013.db2.gz	VOROMETUJGJRJE-CRAIPNDOSA-N	1	0	362.499	1.304	20	30		FDEDRO
CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1	ZINC000498802849	687859043	/nfs/dbraw/zinc/85/90/43/687859043.db2.gz	SKTLLDIKNHTFOC-AWEZNQCLSA-N	1	0	366.487	1.257	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)NCC(=O)N1CCCCC1)C(C)C	ZINC000502003248	688234701	/nfs/dbraw/zinc/23/47/01/688234701.db2.gz	UPMIDMJUQJHOHP-KRWDZBQOSA-N	1	0	350.507	1.997	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCO[C@H](C(=O)OC)C1)C(C)C	ZINC000503397840	688354300	/nfs/dbraw/zinc/35/43/00/688354300.db2.gz	INNRJQIQJHJPJP-CVEARBPZSA-N	1	0	353.463	1.268	20	30		FDEDRO
N#CCSCC(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1	ZINC000505024031	688471746	/nfs/dbraw/zinc/47/17/46/688471746.db2.gz	QESJBNPEGVTVLV-UHFFFAOYSA-N	1	0	360.483	1.622	20	30		FDEDRO
CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)C[C@H](C)O	ZINC000510092560	689345957	/nfs/dbraw/zinc/34/59/57/689345957.db2.gz	ACKJQXHEGRNAAR-ZDUSSCGKSA-N	1	0	350.463	1.654	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)cc1	ZINC000517699757	690088392	/nfs/dbraw/zinc/08/83/92/690088392.db2.gz	ZPBNRIOWJQKHSS-KRWDZBQOSA-N	1	0	363.483	1.317	20	30		FDEDRO
C=CCOc1ccc(C[NH2+]CC2(O)CCS(=O)(=O)CC2)cc1OC	ZINC000519008991	690177717	/nfs/dbraw/zinc/17/77/17/690177717.db2.gz	PKKGIEGXAXSVCF-UHFFFAOYSA-N	1	0	355.456	1.289	20	30		FDEDRO
C[NH+](C)[C@H]1CN(CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@@H]1O	ZINC000519420814	690207509	/nfs/dbraw/zinc/20/75/09/690207509.db2.gz	QWZHTLHWQHJVIV-HOTGVXAUSA-N	1	0	350.850	1.193	20	30		FDEDRO
C[NH+](C)CCOC1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1	ZINC000525601040	694630145	/nfs/dbraw/zinc/63/01/45/694630145.db2.gz	IJMOCJIXQMGTAK-UHFFFAOYSA-N	1	0	371.890	1.943	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1	ZINC000528750929	694745735	/nfs/dbraw/zinc/74/57/35/694745735.db2.gz	KYAMUBOZHLVVKA-ZYSHUDEJSA-N	1	0	366.527	1.964	20	30		FDEDRO
C[C@H]1CC[N@H+](CCNS(=O)(=O)c2cc(Br)cc(C#N)c2)C1	ZINC000531251600	694827014	/nfs/dbraw/zinc/82/70/14/694827014.db2.gz	XRVPLYZTZUXPRE-NSHDSACASA-N	1	0	372.288	1.941	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000641672457	696196535	/nfs/dbraw/zinc/19/65/35/696196535.db2.gz	YCUDCFQVVAJNGS-MRXNPFEDSA-N	1	0	367.515	1.698	20	30		FDEDRO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(C#N)cn2)CC1	ZINC001164818231	720284581	/nfs/dbraw/zinc/28/45/81/720284581.db2.gz	JSPFOZORFYSYQZ-MSOLQXFVSA-N	1	0	353.470	1.865	20	30		FDEDRO
N#Cc1nc(Cl)cnc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164741718	720645184	/nfs/dbraw/zinc/64/51/84/720645184.db2.gz	MAKKOBVPQXTLQD-RYUDHWBXSA-N	1	0	357.805	1.134	20	30		FDEDRO
N#Cc1cnc(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164745721	720650664	/nfs/dbraw/zinc/65/06/64/720650664.db2.gz	VVJJYXXIHRQZJY-QWHCGFSZSA-N	1	0	357.805	1.134	20	30		FDEDRO
N#Cc1cc2c(nc1N1CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C1)CCC2	ZINC001164737469	720761607	/nfs/dbraw/zinc/76/16/07/720761607.db2.gz	BUCKEARJBLOHBB-SJORKVTESA-N	1	0	362.437	1.574	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3nnc(Cl)cc3C#N)CC[C@H]2C1	ZINC001164856560	720843598	/nfs/dbraw/zinc/84/35/98/720843598.db2.gz	WVOVCDBOKBJCHI-GXTWGEPZSA-N	1	0	351.838	1.175	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc(C)c3C#N)CC[C@@H]2C1	ZINC001164856728	720856591	/nfs/dbraw/zinc/85/65/91/720856591.db2.gz	PBSWFJCRMRJGKY-UKRRQHHQSA-N	1	0	365.865	1.484	20	30		FDEDRO
COc1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)ncc1C#N	ZINC001164867931	721045156	/nfs/dbraw/zinc/04/51/56/721045156.db2.gz	LAFCSDFSKCPDFC-QZTJIDSGSA-N	1	0	365.437	1.837	20	30		FDEDRO
CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc(C#N)cn4)C3)O2)CC1	ZINC001164885651	721378274	/nfs/dbraw/zinc/37/82/74/721378274.db2.gz	CXTLPIVKVSLSTF-AZUAARDMSA-N	1	0	355.486	1.719	20	30		FDEDRO
CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cnc(C#N)cn4)C3)O2)CC1	ZINC001164885614	721389874	/nfs/dbraw/zinc/38/98/74/721389874.db2.gz	CVLJXLNBMRJKQJ-MJGOQNOKSA-N	1	0	356.474	1.114	20	30		FDEDRO
CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nccc(C#N)c4F)C3)O2)CC1	ZINC001164886328	721410372	/nfs/dbraw/zinc/41/03/72/721410372.db2.gz	JALQFWKSRWXLHU-YLJYHZDGSA-N	1	0	373.476	1.858	20	30		FDEDRO
CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(CC#N)ccn4)C3)O2)CC1	ZINC001164895813	721424565	/nfs/dbraw/zinc/42/45/65/721424565.db2.gz	PXPWZXWSVCPHLA-FPOVZHCZSA-N	1	0	369.513	1.913	20	30		FDEDRO
C[NH+]1CCN(Cc2cn3c(n2)CN(c2nccc(F)c2C#N)CC3)CC1	ZINC001164799136	721515288	/nfs/dbraw/zinc/51/52/88/721515288.db2.gz	XGCZRIUTSXRBDS-UHFFFAOYSA-N	1	0	355.421	1.056	20	30		FDEDRO
N#Cc1ncc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1C#N	ZINC001164904265	721557690	/nfs/dbraw/zinc/55/76/90/721557690.db2.gz	DRXGCRNILFQDOR-GDBMZVCRSA-N	1	0	364.384	1.701	20	30		FDEDRO
Cc1nc(C#N)cnc1N1CCCn2cnc(COCC[NH+](C)C)c2C1	ZINC001165002548	722255468	/nfs/dbraw/zinc/25/54/68/722255468.db2.gz	PPBZYNMCUVUHCY-UHFFFAOYSA-N	1	0	355.446	1.342	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21	ZINC000972151457	782544787	/nfs/dbraw/zinc/54/47/87/782544787.db2.gz	AAHINCJLPMLLNX-FHLIZLRMSA-N	1	0	369.469	1.432	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1	ZINC000969123824	768902710	/nfs/dbraw/zinc/90/27/10/768902710.db2.gz	YHZUMJDYCIBIJX-DQEVTTJGSA-N	1	0	366.465	1.219	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1	ZINC000277575581	782713686	/nfs/dbraw/zinc/71/36/86/782713686.db2.gz	UBZUJPIPZUPXIE-MRXNPFEDSA-N	1	0	355.438	1.770	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)COC)C2	ZINC001112468467	769019914	/nfs/dbraw/zinc/01/99/14/769019914.db2.gz	LFAWZDWLKFCJIW-KXBFYZLASA-N	1	0	351.491	1.180	20	30		FDEDRO
N#CC1(CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCCCC1	ZINC000892259077	782718768	/nfs/dbraw/zinc/71/87/68/782718768.db2.gz	CMJCBHWIKNKERO-ZNMIVQPWSA-N	1	0	361.446	1.037	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(C(=O)COc2ccccc2C#N)CC1	ZINC000478491565	782720717	/nfs/dbraw/zinc/72/07/17/782720717.db2.gz	OLHATATWIFKEHZ-UHFFFAOYSA-N	1	0	352.394	1.689	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)C1([NH+](C)C)CCC1	ZINC000969204709	769353570	/nfs/dbraw/zinc/35/35/70/769353570.db2.gz	AUSCHGVJWXGNGE-TWMKSMIVSA-N	1	0	361.486	1.264	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1	ZINC000969220848	769460457	/nfs/dbraw/zinc/46/04/57/769460457.db2.gz	FBWWCCMORHXBAO-JTDSTZFVSA-N	1	0	356.426	1.238	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1	ZINC000648131168	769549215	/nfs/dbraw/zinc/54/92/15/769549215.db2.gz	PYDQTUDYEBLVCG-GOSISDBHSA-N	1	0	363.483	1.367	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnc3c(c1)nnn3C)C2	ZINC001112475314	769818923	/nfs/dbraw/zinc/81/89/23/769818923.db2.gz	XXYKISVGYOSFSL-KXBFYZLASA-N	1	0	354.458	1.771	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCO[C@@H]3C[N@H+](CCc4ccccc4)C[C@@H]32)c1	ZINC001083188371	769982967	/nfs/dbraw/zinc/98/29/67/769982967.db2.gz	RVCPCPJUXTYPCC-LEWJYISDSA-N	1	0	361.445	1.831	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)o2)C1	ZINC001022737281	782801269	/nfs/dbraw/zinc/80/12/69/782801269.db2.gz	SBXIIHLMTSIBAA-OSRDXIQISA-N	1	0	368.455	1.011	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)cc1	ZINC000969431990	770191360	/nfs/dbraw/zinc/19/13/60/770191360.db2.gz	RTTSBIZRKANAJH-ZSYWTGECSA-N	1	0	355.438	1.300	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CN(C)c2cccc(F)c2C#N)CC[N@@H+]1C	ZINC001125298664	770227385	/nfs/dbraw/zinc/22/73/85/770227385.db2.gz	GIKGWXPEVODUTB-QLFBSQMISA-N	1	0	362.449	1.293	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2ccn(C)n2)c1	ZINC001087210932	782818639	/nfs/dbraw/zinc/81/86/39/782818639.db2.gz	JWXJVMRQVDIBSR-BEFAXECRSA-N	1	0	351.454	1.827	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N(C)CCOCCN(C)C(=O)OC(C)(C)C	ZINC001167078711	770276138	/nfs/dbraw/zinc/27/61/38/770276138.db2.gz	ULSZKJQEJDZDPJ-UHFFFAOYSA-N	1	0	357.495	1.836	20	30		FDEDRO
C[C@H](NC(=O)[C@]12C[C@H]1COC2)C1C[NH+](Cc2ccc(OCC#N)cc2)C1	ZINC000969712321	770720876	/nfs/dbraw/zinc/72/08/76/770720876.db2.gz	BVLNXQMPYAWCAW-VHFSOBRXSA-N	1	0	355.438	1.562	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC001020596229	770927949	/nfs/dbraw/zinc/92/79/49/770927949.db2.gz	HKJQTQWNFMZRBQ-CZAMWMTLSA-N	1	0	358.417	1.336	20	30		FDEDRO
COC(=O)COc1ccc(CN(C)CC(=O)N[C@](C)(C#N)C2CC2)cc1	ZINC000274886041	770950322	/nfs/dbraw/zinc/95/03/22/770950322.db2.gz	OTRXZPQRWNBYIX-LJQANCHMSA-N	1	0	359.426	1.479	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCc3ccccc3NC2=O)C1	ZINC001020604826	770982766	/nfs/dbraw/zinc/98/27/66/770982766.db2.gz	QDIFGURTBRMFCE-RTYCURFASA-N	1	0	369.465	1.768	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(C(=O)NC)c2)C1	ZINC000970016579	771195244	/nfs/dbraw/zinc/19/52/44/771195244.db2.gz	CSDOWIHTOBEWPD-KURKYZTESA-N	1	0	357.454	1.328	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1	ZINC001020714589	771287838	/nfs/dbraw/zinc/28/78/38/771287838.db2.gz	VFYFZJKLCVYCDI-MTSZKFMLSA-N	1	0	370.515	1.029	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCC[C@@H](C)C2)C1	ZINC001020726130	771303336	/nfs/dbraw/zinc/30/33/36/771303336.db2.gz	AQWDGUCZYBLWOX-RXYDEIHYSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1	ZINC000430378872	771718351	/nfs/dbraw/zinc/71/83/51/771718351.db2.gz	NEUUCNVYNFMZCP-KSZLIROESA-N	1	0	363.502	1.274	20	30		FDEDRO
CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1	ZINC001167213380	771737092	/nfs/dbraw/zinc/73/70/92/771737092.db2.gz	DUNPHJMVOKJAFK-DLBZAZTESA-N	1	0	361.486	1.056	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(C[NH+](CC)CC)CC1	ZINC000430398565	771782802	/nfs/dbraw/zinc/78/28/02/771782802.db2.gz	YJIFAPYALXZKOC-ZWKOTPCHSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)NC2CCCC2)CC1	ZINC001167274460	771851289	/nfs/dbraw/zinc/85/12/89/771851289.db2.gz	UCAWIXKICYTZFG-SJORKVTESA-N	1	0	363.502	1.512	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+][C@@H](C)C(=O)NCC(C)C)CC1	ZINC001167277771	771856772	/nfs/dbraw/zinc/85/67/72/771856772.db2.gz	UGKLVJUOMZGKFY-BBWFWOEESA-N	1	0	365.518	1.614	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1	ZINC000430415229	771858383	/nfs/dbraw/zinc/85/83/83/771858383.db2.gz	FILIZRMGFKSDLF-IAGOWNOFSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)C2	ZINC001112481829	771978101	/nfs/dbraw/zinc/97/81/01/771978101.db2.gz	WPYHGTSSGGGFKI-CLWJZODNSA-N	1	0	363.502	1.594	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nc(=O)n(C)[nH]2)C1	ZINC001112512448	782974057	/nfs/dbraw/zinc/97/40/57/782974057.db2.gz	COEZBHOEKVCORW-KXBFYZLASA-N	1	0	359.474	1.020	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cc3occc3[nH]2)C[C@H]1C	ZINC001104252675	772355187	/nfs/dbraw/zinc/35/51/87/772355187.db2.gz	MFKGTTBKSKIXCC-RBSFLKMASA-N	1	0	370.453	1.587	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1	ZINC000972245634	783009873	/nfs/dbraw/zinc/00/98/73/783009873.db2.gz	IDHCXHQJCDRBEL-WOJBJXKFSA-N	1	0	365.477	1.366	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCOC)C2)C[C@H]1C	ZINC001104259642	772500835	/nfs/dbraw/zinc/50/08/35/772500835.db2.gz	YCFBGYUOWGXPBF-KURKYZTESA-N	1	0	365.518	1.522	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087214248	783019990	/nfs/dbraw/zinc/01/99/90/783019990.db2.gz	MWWZXCSNOYNISW-RNJTYBCJSA-N	1	0	354.454	1.396	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1	ZINC000890985071	772640398	/nfs/dbraw/zinc/64/03/98/772640398.db2.gz	REHNZQORAVHVOH-OAHLLOKOSA-N	1	0	363.421	1.938	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CCC(F)(F)C2)C[C@H]1C	ZINC001104274680	772702380	/nfs/dbraw/zinc/70/23/80/772702380.db2.gz	VGFBIWRELSGGGX-BZUAXINKSA-N	1	0	369.456	1.636	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)n2nnnc2C(C)(C)C)C[C@H]1C	ZINC001104276648	772729646	/nfs/dbraw/zinc/72/96/46/772729646.db2.gz	CTDQGCZSXNYYGM-OWCLPIDISA-N	1	0	360.506	1.629	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3ncncc3C2)C[C@H]1C	ZINC001104282428	772775059	/nfs/dbraw/zinc/77/50/59/772775059.db2.gz	AFQZXDCMXAYNTE-KZNAEPCWSA-N	1	0	370.497	1.306	20	30		FDEDRO
CCOC[C@H]1CC[N@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000177630672	772926809	/nfs/dbraw/zinc/92/68/09/772926809.db2.gz	FGCLDPSPMVHWLS-KRWDZBQOSA-N	1	0	356.426	1.638	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1	ZINC001021327490	772929137	/nfs/dbraw/zinc/92/91/37/772929137.db2.gz	TWSXBORTCMHBJI-RYQLBKOJSA-N	1	0	369.469	1.434	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)CCC4CCC4)[C@@H]3C2)CC1	ZINC001021333078	772942751	/nfs/dbraw/zinc/94/27/51/772942751.db2.gz	YRBLZEHZPWSVFN-VQTJNVASSA-N	1	0	371.525	1.971	20	30		FDEDRO
C[N@@H+]1C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC#N)[C@@H](c2ccccc2)C1	ZINC001021390180	773140925	/nfs/dbraw/zinc/14/09/25/773140925.db2.gz	JITJSBZPTDJCSG-NOSIKRSBSA-N	1	0	352.482	1.967	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCC=C)C[C@H]1c1ccccc1	ZINC001211549896	783082264	/nfs/dbraw/zinc/08/22/64/783082264.db2.gz	MVTYCMFTXKBIAR-NZSAHSFTSA-N	1	0	353.466	1.675	20	30		FDEDRO
COCCCNC(=S)NN=C(C)c1ccc(OCC[NH+](C)C)cc1	ZINC000748131310	773295754	/nfs/dbraw/zinc/29/57/54/773295754.db2.gz	JZBKHAWYPQLUNF-UHFFFAOYSA-N	1	0	352.504	1.852	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1	ZINC001021425850	773302602	/nfs/dbraw/zinc/30/26/02/773302602.db2.gz	FGFRAOGEBQFBJS-BMGDILEWSA-N	1	0	369.469	1.434	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3cc(F)c(F)cc3F)[C@H]2C1	ZINC001083205478	773416563	/nfs/dbraw/zinc/41/65/63/773416563.db2.gz	FGEUEKUFVJQBQB-DLBZAZTESA-N	1	0	352.356	1.581	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1	ZINC000656071758	773527819	/nfs/dbraw/zinc/52/78/19/773527819.db2.gz	VTWNXUVZBFYRIH-QGZVFWFLSA-N	1	0	350.507	1.087	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1	ZINC000656071757	773527899	/nfs/dbraw/zinc/52/78/99/773527899.db2.gz	VTWNXUVZBFYRIH-KRWDZBQOSA-N	1	0	350.507	1.087	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)N(C)C)C[C@H]1C	ZINC001104289728	773648390	/nfs/dbraw/zinc/64/83/90/773648390.db2.gz	RMQOLLUSMKIQFB-GUDVDZBRSA-N	1	0	361.534	1.854	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ncoc4CC)[C@@H]3C2)C1=O	ZINC001075634210	773679834	/nfs/dbraw/zinc/67/98/34/773679834.db2.gz	CSGLCFCUIFWMSM-SOUVJXGZSA-N	1	0	358.442	1.170	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1COCCN1CC(F)F)C2	ZINC001112492972	773736676	/nfs/dbraw/zinc/73/66/76/773736676.db2.gz	LQHSEDVXMAXQLH-BXWFABGCSA-N	1	0	369.456	1.194	20	30		FDEDRO
CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cc(C#N)ccc1OC	ZINC000289262824	783143118	/nfs/dbraw/zinc/14/31/18/783143118.db2.gz	XWRGMRCLNDXYNT-UHFFFAOYSA-N	1	0	358.442	1.840	20	30		FDEDRO
C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1C	ZINC001104297284	774029771	/nfs/dbraw/zinc/02/97/71/774029771.db2.gz	JIGYZULVNNWFBN-QZTJIDSGSA-N	1	0	365.518	1.666	20	30		FDEDRO
CCc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C2)c1Cl	ZINC001104303183	774379527	/nfs/dbraw/zinc/37/95/27/774379527.db2.gz	UFUFUULXAZNKTG-ZIAGYGMSSA-N	1	0	366.893	1.963	20	30		FDEDRO
COCC[NH2+]CCCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C	ZINC000275896966	774402852	/nfs/dbraw/zinc/40/28/52/774402852.db2.gz	ODJZYZAAUPTZHN-UHFFFAOYSA-N	1	0	362.430	1.026	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2ccccc2F)CC1	ZINC001167417647	774481582	/nfs/dbraw/zinc/48/15/82/774481582.db2.gz	ZTQVXNNKLMPHLD-DLBZAZTESA-N	1	0	371.456	1.555	20	30		FDEDRO
COC(=O)c1cc(C)ccc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000275916868	774497338	/nfs/dbraw/zinc/49/73/38/774497338.db2.gz	TYTSFJVSIASJER-UHFFFAOYSA-N	1	0	374.441	1.414	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC1(C[NH2+][C@H](CC)C(N)=O)CC1	ZINC001167422588	774564797	/nfs/dbraw/zinc/56/47/97/774564797.db2.gz	TXPQHXLDIPDXEP-XHSDSOJGSA-N	1	0	351.491	1.498	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cscn2)C1=O	ZINC001087134267	774605869	/nfs/dbraw/zinc/60/58/69/774605869.db2.gz	JYESWIOVDONJEY-QLFBSQMISA-N	1	0	362.499	1.760	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1	ZINC000275963569	774766892	/nfs/dbraw/zinc/76/68/92/774766892.db2.gz	COYGFZHHTPJAFY-CQSZACIVSA-N	1	0	370.453	1.308	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)c4cccnc4)[C@@H]3C2)CC1	ZINC000971117219	774878265	/nfs/dbraw/zinc/87/82/65/774878265.db2.gz	ORUKCNQMKOFNTQ-RTBURBONSA-N	1	0	366.465	1.100	20	30		FDEDRO
C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2CCc3ccc(C#N)cc32)C1	ZINC000275990606	774889034	/nfs/dbraw/zinc/88/90/34/774889034.db2.gz	QJGYKTJRECJEHX-IRXDYDNUSA-N	1	0	352.438	1.390	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2onc(C)c2C)C[C@H]1C	ZINC001104334008	775487434	/nfs/dbraw/zinc/48/74/34/775487434.db2.gz	LXHPFXVAUDOZQO-UHOFOFEASA-N	1	0	360.458	1.117	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)Cn2c3ccccc3[nH]c2=O)C[C@H]1C	ZINC001104724981	790398098	/nfs/dbraw/zinc/39/80/98/790398098.db2.gz	NTMPXPPAEXGGTB-HZPDHXFCSA-N	1	0	354.454	1.839	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)Cc2cccnc2)C1=O	ZINC001087149680	775936821	/nfs/dbraw/zinc/93/68/21/775936821.db2.gz	ZIEABTGYUKUKBD-NEWSRXKRSA-N	1	0	370.497	1.628	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)c4cccn4C)[C@@H]3C2)CC1	ZINC000971354042	775990215	/nfs/dbraw/zinc/99/02/15/775990215.db2.gz	GORZJCWPKZIMLH-IEBWSBKVSA-N	1	0	368.481	1.043	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC=CCCC2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104344466	775992411	/nfs/dbraw/zinc/99/24/11/775992411.db2.gz	YHRFIGCONDSKES-FGTMMUONSA-N	1	0	360.502	1.837	20	30		FDEDRO
CCn1nncc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC001087151676	776007154	/nfs/dbraw/zinc/00/71/54/776007154.db2.gz	FELNKVBCVXQMBJ-CJNGLKHVSA-N	1	0	355.446	1.528	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1	ZINC000276162274	776189605	/nfs/dbraw/zinc/18/96/05/776189605.db2.gz	WBDSJXPCOWKHIP-UKRRQHHQSA-N	1	0	361.417	1.717	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)COCc2ccc(OC)nc2)C[C@H]1C	ZINC001104348812	776306378	/nfs/dbraw/zinc/30/63/78/776306378.db2.gz	VZWFBEJXUUTGGA-SJLPKXTDSA-N	1	0	359.470	1.704	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)c4cc(C)on4)C[C@H]32)CC1	ZINC001021883965	776489394	/nfs/dbraw/zinc/48/93/94/776489394.db2.gz	PTROESAEIYMHMR-FUHWJXTLSA-N	1	0	370.453	1.001	20	30		FDEDRO
C=CCn1cc(C(=O)N2CCO[C@@H]3C[N@H+](CCCC4CCC4)C[C@@H]32)nn1	ZINC001083217510	776571922	/nfs/dbraw/zinc/57/19/22/776571922.db2.gz	BYWPGUCIAOFHMA-ZWKOTPCHSA-N	1	0	359.474	1.570	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21	ZINC001021940028	776753415	/nfs/dbraw/zinc/75/34/15/776753415.db2.gz	XCOUWDUQYPSKMQ-FUHWJXTLSA-N	1	0	356.470	1.443	20	30		FDEDRO
C[NH+]1CCC2(CCN2C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1	ZINC000892711370	790482291	/nfs/dbraw/zinc/48/22/91/790482291.db2.gz	JJRYTPJDROVGDC-UHFFFAOYSA-N	1	0	368.485	1.802	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2coc(C)n2)C1=O	ZINC001087154368	776877449	/nfs/dbraw/zinc/87/74/49/776877449.db2.gz	PKASPTGWXFCGIR-VNQPRFMTSA-N	1	0	360.458	1.600	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCn3cncc3C2)C[C@H]1C	ZINC001104363843	777489596	/nfs/dbraw/zinc/48/95/96/777489596.db2.gz	KQDCBEYUTVDYMC-FGTMMUONSA-N	1	0	360.502	1.722	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(CC2CC[NH+](Cc3ccncc3)CC2)C1=O	ZINC000656834812	777683960	/nfs/dbraw/zinc/68/39/60/777683960.db2.gz	MMRWDQYZVDNUCQ-KRWDZBQOSA-N	1	0	358.442	1.417	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@](C)(F)CCCC)C[C@H]1C	ZINC001104365904	777804698	/nfs/dbraw/zinc/80/46/98/777804698.db2.gz	ZOGLSGZSPMLMIY-MDZRGWNJSA-N	1	0	353.482	1.728	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2cnn(C)n2)C1	ZINC001075423035	777826630	/nfs/dbraw/zinc/82/66/30/777826630.db2.gz	DYBPXJLDDOHCSD-SJLPKXTDSA-N	1	0	369.444	1.813	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1	ZINC001075423225	777836970	/nfs/dbraw/zinc/83/69/70/777836970.db2.gz	RAXDIZNYKJCVFF-NXHRZFHOSA-N	1	0	359.445	1.812	20	30		FDEDRO
COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[C@@H](C)CC(=O)N3)C2)cc1C#N	ZINC001022098539	777914006	/nfs/dbraw/zinc/91/40/06/777914006.db2.gz	LYNKLZFPQZPTOT-VDNDLQMASA-N	1	0	370.453	1.218	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2ncn(C)n2)[C@H](C[NH2+]Cc2ccc(C#N)cc2F)C1	ZINC001087162132	778012998	/nfs/dbraw/zinc/01/29/98/778012998.db2.gz	QQANISHFECUJBM-CJNGLKHVSA-N	1	0	370.432	1.856	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C#CC2CC2)[C@H](C[NH2+]C[C@H]2CCCS(=O)(=O)C2)C1	ZINC001087164741	778104802	/nfs/dbraw/zinc/10/48/02/778104802.db2.gz	NCMMLLHSXWBVMN-NXHRZFHOSA-N	1	0	366.527	1.441	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N3CCCCC[C@@H]([NH3+])C3)CC2)nc1	ZINC000891499949	778151159	/nfs/dbraw/zinc/15/11/59/778151159.db2.gz	SPHVCDOSAGXGFM-MRXNPFEDSA-N	1	0	356.474	1.835	20	30		FDEDRO
COc1ccc([C@H]2C[NH2+]CCN2C(=O)NC2CCN(CC#N)CC2)cc1	ZINC000891525181	778209772	/nfs/dbraw/zinc/20/97/72/778209772.db2.gz	QEKWMJMASDXIPV-GOSISDBHSA-N	1	0	357.458	1.339	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)[C@H]4CCCC[N@H+]4C)C[C@H]32)nc1	ZINC001022293060	779179855	/nfs/dbraw/zinc/17/98/55/779179855.db2.gz	LLLVERDOSKRJKS-QXAKKESOSA-N	1	0	366.465	1.220	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]32)nc1	ZINC001022293206	779181840	/nfs/dbraw/zinc/18/18/40/779181840.db2.gz	NFUYHJAEMDDBDO-QXAKKESOSA-N	1	0	368.481	1.322	20	30		FDEDRO
O=C(NCc1nnc2n1CCCC2)NC1CC[NH+](Cc2ccncc2)CC1	ZINC000328877826	779207866	/nfs/dbraw/zinc/20/78/66/779207866.db2.gz	UJBBGHUIVZKCGS-UHFFFAOYSA-N	1	0	369.473	1.678	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CCC(C(=O)Nc3ccc(C)cn3)CC2)[N@H+](C)C1	ZINC000328923757	779343669	/nfs/dbraw/zinc/34/36/69/779343669.db2.gz	DDVVYIFIBJIVGD-HOTGVXAUSA-N	1	0	360.458	1.936	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2ccns2)C1=O	ZINC001087172785	779349336	/nfs/dbraw/zinc/34/93/36/779349336.db2.gz	SCAAJBQOVLYXFA-QLFBSQMISA-N	1	0	362.499	1.760	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@@H]1CCCNC1=O	ZINC001087175530	779461524	/nfs/dbraw/zinc/46/15/24/779461524.db2.gz	RVPRGOCWHUHUOD-IXDOHACOSA-N	1	0	358.486	1.783	20	30		FDEDRO
C[NH+](C)C1(C(=O)N2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)CCC1	ZINC000971847104	779947063	/nfs/dbraw/zinc/94/70/63/779947063.db2.gz	BEOYMGCUNNFDQF-CZUORRHYSA-N	1	0	355.442	1.044	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1	ZINC000276878600	779986193	/nfs/dbraw/zinc/98/61/93/779986193.db2.gz	DLQKKCMWONTBNB-CRAIPNDOSA-N	1	0	364.396	1.588	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2coc(OCC)n2)C[C@H]1C	ZINC001104386308	780169914	/nfs/dbraw/zinc/16/99/14/780169914.db2.gz	PJPRAYJWWKBRAN-HUUCEWRRSA-N	1	0	351.447	1.964	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCSC)C[C@H]1c1ccccc1	ZINC001211528354	780296608	/nfs/dbraw/zinc/29/66/08/780296608.db2.gz	RVNYCRKEPMUHIR-DLBZAZTESA-N	1	0	361.511	1.626	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC001022451721	780297696	/nfs/dbraw/zinc/29/76/96/780297696.db2.gz	GINIRMNPCWEQEL-LUMDGCDRSA-N	1	0	355.413	1.858	20	30		FDEDRO
C=CCC1(NS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)CCOCC1	ZINC000657129678	780307356	/nfs/dbraw/zinc/30/73/56/780307356.db2.gz	YFGQQFSFGIABBA-UHFFFAOYSA-N	1	0	370.519	1.465	20	30		FDEDRO
CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1snc(Cl)c1C#N	ZINC001100742645	790784141	/nfs/dbraw/zinc/78/41/41/790784141.db2.gz	GGWNVJJGMUOAOI-GHMZBOCLSA-N	1	0	355.895	1.951	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cccc3ncnn32)C[C@H]1C	ZINC001104391235	780701100	/nfs/dbraw/zinc/70/11/00/780701100.db2.gz	MIYGMECRZDXARZ-HZPDHXFCSA-N	1	0	355.442	1.067	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1	ZINC000277099979	780744906	/nfs/dbraw/zinc/74/49/06/780744906.db2.gz	LFENUULMZJJJBM-KRWDZBQOSA-N	1	0	372.469	1.484	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O	ZINC000121681395	780948197	/nfs/dbraw/zinc/94/81/97/780948197.db2.gz	AJCKWJJDCAPPNU-YESZJQIVSA-N	1	0	362.470	1.829	20	30		FDEDRO
CCc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)s1	ZINC001104395472	780967196	/nfs/dbraw/zinc/96/71/96/780967196.db2.gz	PRCDWYMGPOLMNY-ZIAGYGMSSA-N	1	0	362.499	1.638	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](Cc1nc(C)no1)c1ccccc1	ZINC000277181137	781004039	/nfs/dbraw/zinc/00/40/39/781004039.db2.gz	COKBAHAWCBSBFI-DOMZBBRYSA-N	1	0	357.414	1.652	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](Cc1nc(C)no1)c1ccccc1	ZINC000277181146	781004378	/nfs/dbraw/zinc/00/43/78/781004378.db2.gz	COKBAHAWCBSBFI-SWLSCSKDSA-N	1	0	357.414	1.652	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCn1ccccc1=O)C2	ZINC001112508525	781007711	/nfs/dbraw/zinc/00/77/11/781007711.db2.gz	JQITVOLUNBBGGS-RXVVDRJESA-N	1	0	355.482	1.870	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2O)CC1	ZINC001025490894	790843643	/nfs/dbraw/zinc/84/36/43/790843643.db2.gz	JSQWNXTXKDJXPR-QZTJIDSGSA-N	1	0	363.502	1.153	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@@H](O)Cn2cccn2)C1	ZINC001112509387	781040825	/nfs/dbraw/zinc/04/08/25/781040825.db2.gz	WLPZBWQOYNRKDR-QKLQHJQFSA-N	1	0	360.502	1.675	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)C[C@H]21	ZINC001022570266	781193382	/nfs/dbraw/zinc/19/33/82/781193382.db2.gz	WXVMEUWCWZSHJA-HHXXYDBFSA-N	1	0	368.481	1.623	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]32)c1	ZINC001022635450	781684881	/nfs/dbraw/zinc/68/48/81/781684881.db2.gz	SOOMHTYTEJLNIW-CGTJXYLNSA-N	1	0	354.454	1.076	20	30		FDEDRO
CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1	ZINC000472118538	781685890	/nfs/dbraw/zinc/68/58/90/781685890.db2.gz	VJGXWODPSHCTBM-CQSZACIVSA-N	1	0	361.494	1.162	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+][C@H]2CCN(C)C2=O)cc1	ZINC001087197626	781841729	/nfs/dbraw/zinc/84/17/29/781841729.db2.gz	YQPVRTDZPNMIDC-MNEFBYGVSA-N	1	0	353.466	1.729	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2c(C)[nH]nc2Cl)C1	ZINC001111772590	783806570	/nfs/dbraw/zinc/80/65/70/783806570.db2.gz	HYVDKWWOXTVHTR-GUYCJALGSA-N	1	0	350.850	1.606	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C(C3CC3)C3CC3)C[C@H]21	ZINC000972834601	783901218	/nfs/dbraw/zinc/90/12/18/783901218.db2.gz	AWXSGOBUJPKCKX-CEXWTWQISA-N	1	0	369.509	1.580	20	30		FDEDRO
N#Cc1cccc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)c1	ZINC001024158445	784038199	/nfs/dbraw/zinc/03/81/99/784038199.db2.gz	SLQRYEUCELKKMN-QRVBRYPASA-N	1	0	368.481	1.788	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCS(N)(=O)=O)C2	ZINC001112520485	784242212	/nfs/dbraw/zinc/24/22/12/784242212.db2.gz	HDMZTRRBYHWTCS-BQFCYCMXSA-N	1	0	371.547	1.628	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](NC(C)=O)C2CCCC2)C[C@H]1c1ccccc1	ZINC001211631391	784772030	/nfs/dbraw/zinc/77/20/30/784772030.db2.gz	DWPKXJWWTFEALV-PWRODBHTSA-N	1	0	367.493	1.899	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CCN(c3nc(C#N)c(Cl)s3)C2)CC[N@@H+]1C	ZINC001058579965	784796611	/nfs/dbraw/zinc/79/66/11/784796611.db2.gz	BHDLNKJNRWBOSW-OUAUKWLOSA-N	1	0	353.879	1.703	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1	ZINC001024531520	785045937	/nfs/dbraw/zinc/04/59/37/785045937.db2.gz	NGJBTNMRELZDHG-IXDOHACOSA-N	1	0	365.518	1.397	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4cccs4)[C@@H]3C2)C1=O	ZINC001075494576	785155981	/nfs/dbraw/zinc/15/59/81/785155981.db2.gz	KZKONCDKVYKBFJ-USXIJHARSA-N	1	0	359.495	1.610	20	30		FDEDRO
C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1	ZINC000365294118	785385555	/nfs/dbraw/zinc/38/55/55/785385555.db2.gz	HRIKXNSUROSOGP-MRXNPFEDSA-N	1	0	352.442	1.882	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCCN(c3ncccn3)CC2)cc1	ZINC000365301170	785389752	/nfs/dbraw/zinc/38/97/52/785389752.db2.gz	VVXZXTOESBPPKU-KRWDZBQOSA-N	1	0	353.426	1.300	20	30		FDEDRO
COC(=O)[C@@H]1CN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC[N@H+](C)C1	ZINC000413906592	785751227	/nfs/dbraw/zinc/75/12/27/785751227.db2.gz	RXIMITHMCQQPCA-AWEZNQCLSA-N	1	0	361.417	1.538	20	30		FDEDRO
C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC001024702417	785770391	/nfs/dbraw/zinc/77/03/91/785770391.db2.gz	UFXZRGCKDPBTEW-JENIJYKNSA-N	1	0	356.470	1.758	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1CC(N)=NOCC(=O)N[C@@H]1CCOc2ccccc21	ZINC000177592927	785862812	/nfs/dbraw/zinc/86/28/12/785862812.db2.gz	NNYBNNGGGROCLP-GOEBONIOSA-N	1	0	360.458	1.790	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4c(c3)OCCO4)[C@H]2C1	ZINC001083271994	785939749	/nfs/dbraw/zinc/93/97/49/785939749.db2.gz	OCMQJBRPCHFCEL-QFBILLFUSA-N	1	0	358.438	1.949	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCC)C2)C[C@H]1c1ccccc1	ZINC001211682116	805657677	/nfs/dbraw/zinc/65/76/77/805657677.db2.gz	KSGHTRCVCDZNIP-SLFFLAALSA-N	1	0	367.493	1.852	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC000978728303	805717098	/nfs/dbraw/zinc/71/70/98/805717098.db2.gz	VLENZRTYGLZBDX-XCDZQEORSA-N	1	0	366.465	1.077	20	30		FDEDRO
N#Cc1cccc(CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)c1	ZINC000431818722	787064807	/nfs/dbraw/zinc/06/48/07/787064807.db2.gz	SXTNKOSBMHVTGZ-UHFFFAOYSA-N	1	0	357.458	1.350	20	30		FDEDRO
O=C(C[NH+]1CCCC1)N1CCO[C@@H]2CN(CC#Cc3ccc(F)cc3)C[C@@H]21	ZINC001083275529	787176497	/nfs/dbraw/zinc/17/64/97/787176497.db2.gz	JKNPOOPEWQSWNL-VQTJNVASSA-N	1	0	371.456	1.185	20	30		FDEDRO
O=C(NCC#CCO)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000923787785	787395846	/nfs/dbraw/zinc/39/58/46/787395846.db2.gz	CRGCJAZTVSJOCK-UHFFFAOYSA-N	1	0	369.387	1.918	20	30		FDEDRO
Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NCCn2cnc(C#N)n2)c1	ZINC000376476253	787969576	/nfs/dbraw/zinc/96/95/76/787969576.db2.gz	YUZVVSKCFQKYHQ-QGZVFWFLSA-N	1	0	352.442	1.629	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2csnn2)C[C@H]1c1ccccc1	ZINC001211643109	788134699	/nfs/dbraw/zinc/13/46/99/788134699.db2.gz	ZXAPOYSGYBQDKC-JKSUJKDBSA-N	1	0	358.467	1.939	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)C2(c3cccnc3)CC2)C[C@H]1C	ZINC001104572815	788176724	/nfs/dbraw/zinc/17/67/24/788176724.db2.gz	AHXCYGJCEGFGTG-QZTJIDSGSA-N	1	0	355.482	1.837	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nc1	ZINC000978878981	805877931	/nfs/dbraw/zinc/87/79/31/805877931.db2.gz	ZCVJPCPLUKCVKG-MJQMVNBJSA-N	1	0	368.481	1.418	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1	ZINC000973316311	788534460	/nfs/dbraw/zinc/53/44/60/788534460.db2.gz	TVKGWUZRXDVICH-RXYDEIHYSA-N	1	0	363.502	1.605	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc32)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104604723	788827446	/nfs/dbraw/zinc/82/74/46/788827446.db2.gz	CYGMZFRLJKMQHS-QGPMSJSTSA-N	1	0	354.454	1.040	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnc3n2CCOC3)C1	ZINC001104607368	788850105	/nfs/dbraw/zinc/85/01/05/788850105.db2.gz	QPKLPMKLOBMIPZ-HZPDHXFCSA-N	1	0	361.490	1.739	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCO[C@@H](C)C2)C1	ZINC001104607393	788851519	/nfs/dbraw/zinc/85/15/19/788851519.db2.gz	RNTCZTFQCDRZTH-FGTMMUONSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1	ZINC000973437221	789008750	/nfs/dbraw/zinc/00/87/50/789008750.db2.gz	PMIXWDVRGNAQKW-ZKXLYKBJSA-N	1	0	363.502	1.461	20	30		FDEDRO
N#CC1CCC(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1	ZINC000376600456	789068068	/nfs/dbraw/zinc/06/80/68/789068068.db2.gz	SHRVQAPHKCCXEL-DAWZGUTISA-N	1	0	363.506	1.022	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1	ZINC000659535262	789118176	/nfs/dbraw/zinc/11/81/76/789118176.db2.gz	YWXGKUMVBQDZJF-GOSISDBHSA-N	1	0	364.534	1.430	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ncnn3C)C2)c1	ZINC001104659836	789210138	/nfs/dbraw/zinc/21/01/38/789210138.db2.gz	WAOZTTMXISJNRW-GDBMZVCRSA-N	1	0	352.442	1.079	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)C[C@H]1c1ccccc1	ZINC001211646683	789230798	/nfs/dbraw/zinc/23/07/98/789230798.db2.gz	GBGIMLZGPAYIGV-RCCFBDPRSA-N	1	0	356.470	1.560	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ocnc2C(F)F)C[C@H]1C	ZINC001104682851	789386636	/nfs/dbraw/zinc/38/66/36/789386636.db2.gz	BWXIDZRYWHPYIM-CHWSQXEVSA-N	1	0	355.385	1.950	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc3cc[nH]c32)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104710763	789647589	/nfs/dbraw/zinc/64/75/89/789647589.db2.gz	LNCRSPADQWDKGH-GDBMZVCRSA-N	1	0	367.453	1.495	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@H+](CCCO)CC[C@@H]2c2ccccc2)c[nH]1	ZINC001087424659	806022055	/nfs/dbraw/zinc/02/20/55/806022055.db2.gz	KFEYURDKJBWITI-RTBURBONSA-N	1	0	352.438	1.857	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)n1	ZINC000892799998	791278826	/nfs/dbraw/zinc/27/88/26/791278826.db2.gz	QHNFEHUBSMQUCI-IBGZPJMESA-N	1	0	351.454	1.762	20	30		FDEDRO
N#CCCN(Cc1ccco1)C(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2	ZINC000415080283	791355264	/nfs/dbraw/zinc/35/52/64/791355264.db2.gz	JFEZFHDEDQLMCO-UHFFFAOYSA-N	1	0	370.384	1.945	20	30		FDEDRO
NC(=[NH+]OCC(=O)NCC1CCC1)c1ccc(N2CCC(O)CC2)cc1	ZINC000174125466	791739337	/nfs/dbraw/zinc/73/93/37/791739337.db2.gz	QNDDNKANORGXRK-UHFFFAOYSA-N	1	0	360.458	1.201	20	30		FDEDRO
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCCCN1CC[NH2+]CC1	ZINC000415284911	791849447	/nfs/dbraw/zinc/84/94/47/791849447.db2.gz	QLFYHDAMKSQNME-UHFFFAOYSA-N	1	0	372.513	1.889	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO[C@@H]3CC3(F)F)C[C@H]21	ZINC001025791267	792043981	/nfs/dbraw/zinc/04/39/81/792043981.db2.gz	HJUDZAIVDYTACL-XMEMRUQMSA-N	1	0	356.413	1.438	20	30		FDEDRO
Cn1ccnc1CC1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1	ZINC000377573196	792231290	/nfs/dbraw/zinc/23/12/90/792231290.db2.gz	XMPHHGIIUSQCAQ-UHFFFAOYSA-N	1	0	373.482	1.415	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3CCCO[C@H](C[NH3+])C3)n2)c(Cl)c1	ZINC000415460547	792309034	/nfs/dbraw/zinc/30/90/34/792309034.db2.gz	NKHBPNFCCJOSGX-CYBMUJFWSA-N	1	0	374.832	1.979	20	30		FDEDRO
CN1CCN([C@@H](C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c2ccccc2)CC1	ZINC000377666565	792459939	/nfs/dbraw/zinc/45/99/39/792459939.db2.gz	DRKUKBLPPGTSCA-WOJBJXKFSA-N	1	0	367.497	1.174	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000893024799	792502850	/nfs/dbraw/zinc/50/28/50/792502850.db2.gz	VZXWQTURZFFYMD-HNNXBMFYSA-N	1	0	361.515	1.930	20	30		FDEDRO
Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H]3C(=O)NC[C@H]3C2)cc1C	ZINC000377685128	792509092	/nfs/dbraw/zinc/50/90/92/792509092.db2.gz	XWBOIDUCUGLALU-FUHWJXTLSA-N	1	0	354.454	1.618	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NCC2([NH3+])CCC2)cc1	ZINC000415558967	792526487	/nfs/dbraw/zinc/52/64/87/792526487.db2.gz	KYNDSITZGPPHRR-UHFFFAOYSA-N	1	0	370.453	1.437	20	30		FDEDRO
CC(C)(C#N)c1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1	ZINC000377723044	792631064	/nfs/dbraw/zinc/63/10/64/792631064.db2.gz	GQYQZQVFQKLYTP-IRXDYDNUSA-N	1	0	370.453	1.406	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1	ZINC000415846656	793149947	/nfs/dbraw/zinc/14/99/47/793149947.db2.gz	SXNJDJCXCQVAFT-MRXNPFEDSA-N	1	0	358.442	1.918	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)ccc1C#N	ZINC000415866678	793222405	/nfs/dbraw/zinc/22/24/05/793222405.db2.gz	VSBUNBZBCWSAQQ-MRXNPFEDSA-N	1	0	355.442	1.437	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1C#N	ZINC000415890109	793295463	/nfs/dbraw/zinc/29/54/63/793295463.db2.gz	GZZBLZQLBQUIGL-ZFWWWQNUSA-N	1	0	356.426	1.352	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1	ZINC000979324989	806235619	/nfs/dbraw/zinc/23/56/19/806235619.db2.gz	MOFBVTQTDZBIKS-XDNAFOTISA-N	1	0	363.502	1.320	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000979324467	806234769	/nfs/dbraw/zinc/23/47/69/806234769.db2.gz	FXFPBWAYWJPLHH-SIUPPRGNSA-N	1	0	368.437	1.550	20	30		FDEDRO
Cc1sccc1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104756616	793456245	/nfs/dbraw/zinc/45/62/45/793456245.db2.gz	BIKVOUKWQRGIER-CZUORRHYSA-N	1	0	362.499	1.313	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(C)(C)NC(=O)COC(C)(C)C)CC1	ZINC000651273774	793493758	/nfs/dbraw/zinc/49/37/58/793493758.db2.gz	YKHVHLZFITVALC-UHFFFAOYSA-N	1	0	353.507	1.853	20	30		FDEDRO
CN(C(=O)C#Cc1ccc2c(c1)OCO2)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000378135725	793550215	/nfs/dbraw/zinc/55/02/15/793550215.db2.gz	DMEXDWYJDYOWSC-SFHVURJKSA-N	1	0	369.465	1.394	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](C)c3ncccn3)C2)nn1	ZINC001104769182	793554797	/nfs/dbraw/zinc/55/47/97/793554797.db2.gz	HRRNZBJFKMWEPL-OWCLPIDISA-N	1	0	369.473	1.703	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCc3cnn(C)c3)C2)nn1	ZINC001104769116	793554945	/nfs/dbraw/zinc/55/49/45/793554945.db2.gz	DSOXYLPEIAWQKF-NVXWUHKLSA-N	1	0	371.489	1.128	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nccn3CC)C2)nn1	ZINC001104769306	793555730	/nfs/dbraw/zinc/55/57/30/793555730.db2.gz	OSKLHSGEFGTIHF-HZPDHXFCSA-N	1	0	371.489	1.569	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C2)nn1	ZINC001104777388	793598692	/nfs/dbraw/zinc/59/86/92/793598692.db2.gz	IBSUYHRPXMNQFI-IAGOWNOFSA-N	1	0	359.474	1.192	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)C#Cc1ccc2c(c1)OCO2	ZINC000378220351	793747511	/nfs/dbraw/zinc/74/75/11/793747511.db2.gz	KBHSDYQEFHZCSE-SOLBZPMBSA-N	1	0	356.422	1.477	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CSC(C)C)C[C@H]1C(F)(F)F	ZINC001112051675	793782910	/nfs/dbraw/zinc/78/29/10/793782910.db2.gz	FMNDFUDGECUFAN-CHWSQXEVSA-N	1	0	352.422	1.757	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1F	ZINC001104810256	793824025	/nfs/dbraw/zinc/82/40/25/793824025.db2.gz	JCSWKYYYLYOWHF-IUODEOHRSA-N	1	0	356.405	1.703	20	30		FDEDRO
Cn1cc(CN[C@@H]2CN(C(=O)CSCC#N)C[C@H]2C(F)(F)F)cn1	ZINC001112052860	793854310	/nfs/dbraw/zinc/85/43/10/793854310.db2.gz	GHXWOKBJTZNIGZ-VXGBXAGGSA-N	1	0	361.393	1.156	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1	ZINC000378318118	793938232	/nfs/dbraw/zinc/93/82/32/793938232.db2.gz	WQYPOSXWCNQYRR-VQIMIIECSA-N	1	0	371.485	1.277	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCn2cccc2)C[C@H]1C	ZINC001104836574	793975187	/nfs/dbraw/zinc/97/51/87/793975187.db2.gz	SWSGTXUYJCCCFR-KZNAEPCWSA-N	1	0	360.502	1.643	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCCO)CC[C@@H]2c2ccccc2)[nH]1	ZINC001087425719	806292416	/nfs/dbraw/zinc/29/24/16/806292416.db2.gz	OIQGIGIASLYZIE-IEBWSBKVSA-N	1	0	352.438	1.857	20	30		FDEDRO
CCc1nc(C#N)cc(NC[C@H](C)N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)n1	ZINC001104845733	794031305	/nfs/dbraw/zinc/03/13/05/794031305.db2.gz	USAVQLKOYVKRGM-CWRNSKLLSA-N	1	0	358.490	1.900	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C(=O)NCC(F)(F)F)C[C@H]1C	ZINC001104847080	794044230	/nfs/dbraw/zinc/04/42/30/794044230.db2.gz	PMSWETIWJYBSNX-MWLCHTKSSA-N	1	0	355.788	1.492	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@@H](C)n2cccn2)C[C@H]1C	ZINC001104885980	794213421	/nfs/dbraw/zinc/21/34/21/794213421.db2.gz	WNEZRWNPAZWMMZ-BRWVUGGUSA-N	1	0	361.490	1.211	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(C)c(CC)o2)C[C@H]1C	ZINC001104902475	794310213	/nfs/dbraw/zinc/31/02/13/794310213.db2.gz	VGKCBGKMPGGKTC-HZPDHXFCSA-N	1	0	359.470	1.588	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)CC)C2)nc1	ZINC001104923724	794418749	/nfs/dbraw/zinc/41/87/49/794418749.db2.gz	SYTYHWUZDCNYED-NVXWUHKLSA-N	1	0	356.470	1.229	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N3CCCC3)C2)cn1	ZINC001104927526	794434514	/nfs/dbraw/zinc/43/45/14/794434514.db2.gz	HZRNCXJZVYREDW-SJLPKXTDSA-N	1	0	368.481	1.373	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCc2ccccc2)C[C@H]1C	ZINC001104943299	794504107	/nfs/dbraw/zinc/50/41/07/794504107.db2.gz	PFUXGBMQPQYZBM-IEBWSBKVSA-N	1	0	355.482	1.443	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)COCCCCCC)C[C@H]1C	ZINC001104949329	794528208	/nfs/dbraw/zinc/52/82/08/794528208.db2.gz	QINQGTJOYOLNBP-QZTJIDSGSA-N	1	0	365.518	1.407	20	30		FDEDRO
CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C1	ZINC001104968484	794626407	/nfs/dbraw/zinc/62/64/07/794626407.db2.gz	FWXOHIDCFFGWAF-IAGOWNOFSA-N	1	0	359.470	1.818	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(F)cc2F)C[C@H]1C	ZINC001104969283	794637639	/nfs/dbraw/zinc/63/76/39/794637639.db2.gz	LMZKOACKWJHFKW-ZIAGYGMSSA-N	1	0	363.408	1.402	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)CCCCCNC(C)=O)C[C@H]1C	ZINC001104980601	794721843	/nfs/dbraw/zinc/72/18/43/794721843.db2.gz	PMWNFEYSQTYQPT-IEBWSBKVSA-N	1	0	365.518	1.407	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccnc(C)n2)C[C@H]1C	ZINC001105022741	794951652	/nfs/dbraw/zinc/95/16/52/794951652.db2.gz	HDNHUQQWHWNNJV-IJEWVQPXSA-N	1	0	359.474	1.164	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CS(=O)(=O)C(C)C)C[C@H]1C	ZINC001105025685	794966894	/nfs/dbraw/zinc/96/68/94/794966894.db2.gz	DYSYNELYHAIGCZ-HZPDHXFCSA-N	1	0	360.520	1.086	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C	ZINC000431921045	794975571	/nfs/dbraw/zinc/97/55/71/794975571.db2.gz	ATXXSKFEDHUETR-QGZVFWFLSA-N	1	0	357.458	1.931	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1	ZINC000979582811	806381584	/nfs/dbraw/zinc/38/15/84/806381584.db2.gz	QWMHAWIMOLVCTH-ATIWLJMLSA-N	1	0	363.502	1.463	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CCC(F)(F)F)C[C@H]1C(F)(F)F	ZINC001112076512	795100495	/nfs/dbraw/zinc/10/04/95/795100495.db2.gz	BZGVWBSTVCPXJJ-GHMZBOCLSA-N	1	0	360.298	1.958	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](C)OC)C1	ZINC001105064553	795112237	/nfs/dbraw/zinc/11/22/37/795112237.db2.gz	WPQUOBXTODIECE-OWCLPIDISA-N	1	0	368.522	1.359	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(CF)cc2)C[C@H]1C	ZINC001105080593	795184665	/nfs/dbraw/zinc/18/46/65/795184665.db2.gz	QRWAGRDYMFOXLQ-CRAIPNDOSA-N	1	0	359.445	1.593	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2CC(C(C)(C)C)C2)C[C@H]1C	ZINC001105085208	795201026	/nfs/dbraw/zinc/20/10/26/795201026.db2.gz	FJCLQSBGZIBVKA-MRLCAUJQSA-N	1	0	361.530	1.882	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C[C@H]1C	ZINC001105086921	795202864	/nfs/dbraw/zinc/20/28/64/795202864.db2.gz	RVDMUVPGCLVOSE-MMDGVZLWSA-N	1	0	371.525	1.491	20	30		FDEDRO
C=CCn1c(-c2ncccn2)nnc1N1CC[N@H+](CCOC)[C@H](CCC)C1	ZINC000417457020	795224115	/nfs/dbraw/zinc/22/41/15/795224115.db2.gz	HIXPDSSRTXOHRY-MRXNPFEDSA-N	1	0	371.489	1.858	20	30		FDEDRO
Cn1c(-c2ncccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000417468563	795231003	/nfs/dbraw/zinc/23/10/03/795231003.db2.gz	WCDIRMHOIKULPY-UHFFFAOYSA-N	1	0	360.425	1.466	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCO[C@H]2CCOC2)C1	ZINC001105090425	795234967	/nfs/dbraw/zinc/23/49/67/795234967.db2.gz	VCEJNEBWPJSWFD-QRVBRYPASA-N	1	0	368.518	1.849	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC(C)(C)C)C1	ZINC001105090850	795238419	/nfs/dbraw/zinc/23/84/19/795238419.db2.gz	LSQCMCRZSPAWDY-IXDOHACOSA-N	1	0	367.534	1.814	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)CCCCCS(N)(=O)=O)C[C@H]1C	ZINC001105125462	795364543	/nfs/dbraw/zinc/36/45/43/795364543.db2.gz	NYDJJEFQQPFMDZ-HZPDHXFCSA-N	1	0	359.536	1.486	20	30		FDEDRO
N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@H]1c1ccccc1	ZINC001211655302	795561320	/nfs/dbraw/zinc/56/13/20/795561320.db2.gz	GXXLCDJBYHRTCW-BRIYLRKRSA-N	1	0	366.465	1.256	20	30		FDEDRO
C=CCOc1ccc(CNC(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1	ZINC000418158300	795583919	/nfs/dbraw/zinc/58/39/19/795583919.db2.gz	AZCOCZCIQOQZGZ-QGZVFWFLSA-N	1	0	370.457	1.848	20	30		FDEDRO
C=CCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)nn1	ZINC001105264586	795623579	/nfs/dbraw/zinc/62/35/79/795623579.db2.gz	MBYLAHHVDVRBCA-HZPDHXFCSA-N	1	0	355.446	1.244	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)CC(=C)C)C[C@H]1c1ccccc1	ZINC001211655671	795739233	/nfs/dbraw/zinc/73/92/33/795739233.db2.gz	SRUDQAQEJNOSGC-YZGWKJHDSA-N	1	0	367.493	1.922	20	30		FDEDRO
C[NH2+]C[C@H](C)CNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000418365202	795823934	/nfs/dbraw/zinc/82/39/34/795823934.db2.gz	DWHAKPDGQSETIU-ZDUSSCGKSA-N	1	0	372.429	1.493	20	30		FDEDRO
N#Cc1c(N)n(-c2ccc(F)cc2)nc1CCCNC(=O)N[C@@H]1CC[NH2+]C1	ZINC000418389060	795858909	/nfs/dbraw/zinc/85/89/09/795858909.db2.gz	SYIIMBMJGUYERK-CYBMUJFWSA-N	1	0	371.420	1.059	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H](Nc2cc(C)ncc2C#N)C(C)C)CC[N@@H+]1C	ZINC001105301336	795879464	/nfs/dbraw/zinc/87/94/64/795879464.db2.gz	PWORQACXSFAZNF-QXAKKESOSA-N	1	0	357.502	1.967	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CC/C=C/CC)nn2)C1	ZINC001105328738	796118223	/nfs/dbraw/zinc/11/82/23/796118223.db2.gz	SXDSHNPLIPOWRS-VGRIIWOTSA-N	1	0	359.474	1.698	20	30		FDEDRO
C=C(C)Cn1c(-c2ncon2)nnc1N1CC[NH+](C2CCOCC2)CC1	ZINC000909333365	796157899	/nfs/dbraw/zinc/15/78/99/796157899.db2.gz	HFACETQALGEFQU-UHFFFAOYSA-N	1	0	359.434	1.205	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1ccnc(OC)c1)C2	ZINC001112530083	806541092	/nfs/dbraw/zinc/54/10/92/806541092.db2.gz	CFRJEMQHPVJDFM-RXVVDRJESA-N	1	0	371.481	1.501	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1	ZINC000979852333	806556885	/nfs/dbraw/zinc/55/68/85/806556885.db2.gz	AOUBUVVZPGKUKC-ZKXLYKBJSA-N	1	0	363.502	1.320	20	30		FDEDRO
C=CC[C@]1(C(=O)NCc2ccc(CS(=O)(=O)NC)cc2)CCC[NH2+]1	ZINC000662457941	806677360	/nfs/dbraw/zinc/67/73/60/806677360.db2.gz	NXBMQBRBOWTOSV-QGZVFWFLSA-N	1	0	351.472	1.050	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)CCC[NH2+]1	ZINC000662463822	806691151	/nfs/dbraw/zinc/69/11/51/806691151.db2.gz	IZKXLVFXWWAYLS-SFHVURJKSA-N	1	0	362.474	1.446	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1	ZINC000974591161	799860065	/nfs/dbraw/zinc/86/00/65/799860065.db2.gz	KKVREWCKOJYWFY-XDNAFOTISA-N	1	0	373.497	1.123	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1	ZINC000974593989	799896988	/nfs/dbraw/zinc/89/69/88/799896988.db2.gz	RHCOLOBLFYCMNY-TVFCKZIOSA-N	1	0	373.497	1.123	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nc(C3CC3)no2)C1	ZINC001026850339	799991819	/nfs/dbraw/zinc/99/18/19/799991819.db2.gz	SJAAKINMZLXRBV-IMJJTQAJSA-N	1	0	360.458	1.866	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cccc(C#N)c3)C2)O1	ZINC001026916790	800176170	/nfs/dbraw/zinc/17/61/70/800176170.db2.gz	ONYODFWEAAHERA-AYOQOUSVSA-N	1	0	356.470	1.215	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@H]32)cc1	ZINC000974720910	800185884	/nfs/dbraw/zinc/18/58/84/800185884.db2.gz	ZVUKUQUXKIBMCH-CEXWTWQISA-N	1	0	351.450	1.435	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(CCCOCC)C[C@H](C)C(=O)OC)CC1	ZINC001126253545	806813952	/nfs/dbraw/zinc/81/39/52/806813952.db2.gz	YQLBFEFZIHTCOB-INIZCTEOSA-N	1	0	352.475	1.396	20	30		FDEDRO
CCOCCCNC(=O)C1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCC2)CC1	ZINC000468823662	800339045	/nfs/dbraw/zinc/33/90/45/800339045.db2.gz	DZXCIHGTLPSFIU-OAHLLOKOSA-N	1	0	364.490	1.192	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@@]4(C)C=CCC4)[C@@H]3C2)CC1	ZINC000974812485	800344719	/nfs/dbraw/zinc/34/47/19/800344719.db2.gz	JSPQKQBOQZTAHO-KNKQGSTJSA-N	1	0	369.509	1.747	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCN(C(=O)Cc3cccc(OC)c3)CC2)CCC[NH2+]1	ZINC000662538957	806824727	/nfs/dbraw/zinc/82/47/27/806824727.db2.gz	VYFSYKBTWZPADO-NRFANRHFSA-N	1	0	371.481	1.607	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)CC1	ZINC001112523718	800363654	/nfs/dbraw/zinc/36/36/54/800363654.db2.gz	LPCLAMRHRJOTDE-JXFKEZNVSA-N	1	0	358.486	1.591	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)CCC[NH2+]1	ZINC000662534328	806832706	/nfs/dbraw/zinc/83/27/06/806832706.db2.gz	KFYPNESADGPHKL-RXVVDRJESA-N	1	0	371.481	1.910	20	30		FDEDRO
C=C(C)Cn1c(-c2ccc(=O)n(C)c2)nnc1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1	ZINC000909344937	800546426	/nfs/dbraw/zinc/54/64/26/800546426.db2.gz	RBNHJEZWQDYREW-RDJZCZTQSA-N	1	0	368.485	1.750	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)s1	ZINC001027067953	800654603	/nfs/dbraw/zinc/65/46/03/800654603.db2.gz	GXLBBJWXISDEQF-MCIONIFRSA-N	1	0	360.483	1.459	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(C(=O)NC)cc2)C1	ZINC001027074680	800886409	/nfs/dbraw/zinc/88/64/09/800886409.db2.gz	FATWXXAJVTXNRT-QRQLOZEOSA-N	1	0	371.481	1.575	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cc(=O)c(OC)co2)C1	ZINC001027076988	800892637	/nfs/dbraw/zinc/89/26/37/800892637.db2.gz	ZKYZFBCTUYIYPW-LXZKKBNFSA-N	1	0	362.426	1.178	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3nn[nH]c32)C[C@H]1c1ccccc1	ZINC001211661717	801018393	/nfs/dbraw/zinc/01/83/93/801018393.db2.gz	HPPQSEWMWZPDSR-JENIJYKNSA-N	1	0	363.465	1.832	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1	ZINC000975308539	801114761	/nfs/dbraw/zinc/11/47/61/801114761.db2.gz	GZVLGHQXDKPPDA-AOIWGVFYSA-N	1	0	363.502	1.418	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC000975320699	801139089	/nfs/dbraw/zinc/13/90/89/801139089.db2.gz	QBEDNMBEQZJVJB-KBAYOESNSA-N	1	0	368.481	1.372	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000975311380	801159983	/nfs/dbraw/zinc/15/99/83/801159983.db2.gz	SHSWJZQKXHJEFX-IIAWOOMASA-N	1	0	357.458	1.195	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21	ZINC000975699443	802054630	/nfs/dbraw/zinc/05/46/30/802054630.db2.gz	COJCSRYUFZAEPP-FHWLQOOXSA-N	1	0	357.498	1.722	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]21	ZINC000975779704	802295619	/nfs/dbraw/zinc/29/56/19/802295619.db2.gz	NJQLSLIOTGYEPN-OALUTQOASA-N	1	0	369.509	1.725	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(CC[NH2+][C@@H]2CCCNC2=O)cc1	ZINC001027254699	802639172	/nfs/dbraw/zinc/63/91/72/802639172.db2.gz	KSNGAORZOITWSL-QRVBRYPASA-N	1	0	371.481	1.305	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@H]2C1	ZINC000976023502	802882594	/nfs/dbraw/zinc/88/25/94/802882594.db2.gz	FZSMXTOAFRQXEO-MPGHIAIKSA-N	1	0	369.469	1.434	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCn3c(Cc4ccccc4)nnc3C2)CCC[NH2+]1	ZINC000662742009	802998109	/nfs/dbraw/zinc/99/81/09/802998109.db2.gz	KXHOARCCSDMWFJ-FQEVSTJZSA-N	1	0	351.454	1.909	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCN(CCOc3cccc(OC)c3)CC2)CCC[NH2+]1	ZINC000662796221	803290316	/nfs/dbraw/zinc/29/03/16/803290316.db2.gz	JDDHAFBRLBEJJI-OAQYLSRUSA-N	1	0	373.497	1.917	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCC(CNC(=O)c3ccccn3)CC2)CCC[NH2+]1	ZINC000662802531	803340012	/nfs/dbraw/zinc/34/00/12/803340012.db2.gz	BLGJOBNXESHQEE-FQEVSTJZSA-N	1	0	356.470	1.748	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@](C)(C=C)CC)C[C@H]1c1ccccc1	ZINC001211666865	803375122	/nfs/dbraw/zinc/37/51/22/803375122.db2.gz	MAWARNRVNJKJQY-NNMXDRDESA-N	1	0	367.493	1.922	20	30		FDEDRO
C=CC[C@]1(C(=O)N[C@H](C)CCNS(=O)(=O)c2ccccc2)CCC[NH2+]1	ZINC000662813371	803431162	/nfs/dbraw/zinc/43/11/62/803431162.db2.gz	ZSOJLLAUJKEUDZ-CRAIPNDOSA-N	1	0	365.499	1.558	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC000976478971	803434894	/nfs/dbraw/zinc/43/48/94/803434894.db2.gz	CPYRTVVVELXJIR-NUEKZKHPSA-N	1	0	357.458	1.528	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2=CCCC2)CC1	ZINC000976508685	803480219	/nfs/dbraw/zinc/48/02/19/803480219.db2.gz	GQIYBAIXCOAPQC-RTBURBONSA-N	1	0	357.498	1.986	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1	ZINC000423079505	814955538	/nfs/dbraw/zinc/95/55/38/814955538.db2.gz	AIFILDZATQDPAB-GOSISDBHSA-N	1	0	354.454	1.507	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@]45C[C@H]4CCC5)C[C@H]32)CC1	ZINC000976658380	803679500	/nfs/dbraw/zinc/67/95/00/803679500.db2.gz	YSQLWIZWZJZNBQ-YXZMJPADSA-N	1	0	355.482	1.095	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[C@H]3C[C@H]3C2)CC1	ZINC000976814929	803944494	/nfs/dbraw/zinc/94/44/94/803944494.db2.gz	AGLBPQXQJFSCEY-LCWAXJCOSA-N	1	0	371.525	1.921	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C[C@H]2CC[N@@H+](C)C2)cn1	ZINC000976986394	804238495	/nfs/dbraw/zinc/23/84/95/804238495.db2.gz	NKKZMUFOQZWJQD-ATZDWAIDSA-N	1	0	368.481	1.562	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1	ZINC000423214729	815005051	/nfs/dbraw/zinc/00/50/51/815005051.db2.gz	MZQGCJHIDPMKPI-XJKSGUPXSA-N	1	0	360.414	1.305	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C[N@H+]2CC[C@H](C)C2)cn1	ZINC000977028253	804299877	/nfs/dbraw/zinc/29/98/77/804299877.db2.gz	BHIMDVPKECAOFY-KFKAGJAMSA-N	1	0	368.481	1.562	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1	ZINC000423221292	815007690	/nfs/dbraw/zinc/00/76/90/815007690.db2.gz	ZDMSNJILLHMJHF-HZPDHXFCSA-N	1	0	372.425	1.177	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)C1	ZINC000662960606	804736808	/nfs/dbraw/zinc/73/68/08/804736808.db2.gz	PADNTTRHAZMEOZ-BPQIPLTHSA-N	1	0	363.502	1.546	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1	ZINC000978103187	805179542	/nfs/dbraw/zinc/17/95/42/805179542.db2.gz	DQQNNBBQUWJROQ-FHLIZLRMSA-N	1	0	354.454	1.076	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCc3ccns3)C[C@H]21	ZINC000978171288	805270093	/nfs/dbraw/zinc/27/00/93/805270093.db2.gz	YLMWBIKEKQGCIL-DZVNLGKHSA-N	1	0	361.511	1.961	20	30		FDEDRO
COc1ccc([C@H](CNC(=O)NCC(=O)NCC#N)[NH+]2CCCCC2)cc1	ZINC000511916764	805338706	/nfs/dbraw/zinc/33/87/06/805338706.db2.gz	POJFMSSIHMEIIK-KRWDZBQOSA-N	1	0	373.457	1.161	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[C@@H]3N3CCCC3=O)[C@@H]2C1	ZINC000978291835	805343296	/nfs/dbraw/zinc/34/32/96/805343296.db2.gz	JKFARGQGEOMDNF-QQXKLLMISA-N	1	0	357.498	1.485	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])c1	ZINC000652378306	805373404	/nfs/dbraw/zinc/37/34/04/805373404.db2.gz	FHCYZQHLTGKERL-WMLDXEAASA-N	1	0	365.499	1.740	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1)C(C)(F)F	ZINC001112531324	807003349	/nfs/dbraw/zinc/00/33/49/807003349.db2.gz	REIDWTSSBFKCTM-DCGLDWPTSA-N	1	0	356.417	1.136	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1nccn3ccnc13)C2	ZINC001112531658	807092537	/nfs/dbraw/zinc/09/25/37/807092537.db2.gz	JUMIPPZWJBJTIT-JXFKEZNVSA-N	1	0	369.469	1.764	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)C3CCCC3)C2)CC1	ZINC000980775379	807168139	/nfs/dbraw/zinc/16/81/39/807168139.db2.gz	CFJFOTKCQGDGPG-QFBILLFUSA-N	1	0	359.514	1.923	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCn2cncn2)C1	ZINC001112532570	807397541	/nfs/dbraw/zinc/39/75/41/807397541.db2.gz	JSIMFIWBVSSRPY-ZMMAXQRCSA-N	1	0	359.474	1.088	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1	ZINC000981051783	807494851	/nfs/dbraw/zinc/49/48/51/807494851.db2.gz	NZYJTZAHGLNYNW-PWIZWCRZSA-N	1	0	367.493	1.706	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3c[nH]cc3C)C2)CC1	ZINC000981377019	807978392	/nfs/dbraw/zinc/97/83/92/807978392.db2.gz	VRRURLSZNXVCET-FUHWJXTLSA-N	1	0	370.497	1.683	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)[C@H](C)C[NH2+]1	ZINC000423635975	815172533	/nfs/dbraw/zinc/17/25/33/815172533.db2.gz	SAQIHQRMDBHBBA-HUUCEWRRSA-N	1	0	370.453	1.137	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)Cc3ccco3)C2)CC1	ZINC000981544632	808115257	/nfs/dbraw/zinc/11/52/57/808115257.db2.gz	MVMBOELOPOQGHX-FUHWJXTLSA-N	1	0	371.481	1.568	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)Cc3ccc[nH]3)C2)CC1	ZINC000981544861	808116191	/nfs/dbraw/zinc/11/61/91/808116191.db2.gz	SGYSNJFQCITWJC-QFBILLFUSA-N	1	0	370.497	1.304	20	30		FDEDRO
COCC1(C#N)CCN(C(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CC1	ZINC000423670275	815194822	/nfs/dbraw/zinc/19/48/22/815194822.db2.gz	MFEZKTMBUFAPAR-UHFFFAOYSA-N	1	0	372.469	1.143	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1	ZINC000981685403	808341104	/nfs/dbraw/zinc/34/11/04/808341104.db2.gz	XUYUEXJMWKFXON-YSVLISHTSA-N	1	0	357.458	1.385	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1	ZINC000981783967	808490393	/nfs/dbraw/zinc/49/03/93/808490393.db2.gz	GXMCJHNJMKVTRG-HZMVEIRTSA-N	1	0	361.486	1.074	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)nc1	ZINC000981784635	808490964	/nfs/dbraw/zinc/49/09/64/808490964.db2.gz	ROPWXQQUDYSHKZ-DLBZAZTESA-N	1	0	366.465	1.173	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1	ZINC000423720586	815213565	/nfs/dbraw/zinc/21/35/65/815213565.db2.gz	DHRDJJXITQILIT-OALUTQOASA-N	1	0	368.481	1.897	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)c1	ZINC001028139656	808622704	/nfs/dbraw/zinc/62/27/04/808622704.db2.gz	AZBXVUKAEHHEIY-FGTMMUONSA-N	1	0	354.454	1.540	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1	ZINC000981869618	808670763	/nfs/dbraw/zinc/67/07/63/808670763.db2.gz	INMDGNAGOJEIHB-YTQUADARSA-N	1	0	353.466	1.634	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1	ZINC001087439526	809102972	/nfs/dbraw/zinc/10/29/72/809102972.db2.gz	CIQIUYUDBHVALW-QZTJIDSGSA-N	1	0	369.465	1.590	20	30		FDEDRO
C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000418691335	809136625	/nfs/dbraw/zinc/13/66/25/809136625.db2.gz	DPSIHZLCLMNNDQ-KGLIPLIRSA-N	1	0	352.442	1.674	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CCN1Cc1ccccc1	ZINC000418745714	809184973	/nfs/dbraw/zinc/18/49/73/809184973.db2.gz	WCVMWCDNHXHVOR-GBESFXJTSA-N	1	0	355.486	1.923	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCCCNC(C)=O)C[C@H]1c1ccccc1	ZINC001211718174	809208073	/nfs/dbraw/zinc/20/80/73/809208073.db2.gz	DCEOPNCGOJHJOO-VQTJNVASSA-N	1	0	355.482	1.900	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@H]1c1ccccc1	ZINC001211720894	809274382	/nfs/dbraw/zinc/27/43/82/809274382.db2.gz	RYBKMUNROPUVCN-ZWKOTPCHSA-N	1	0	369.465	1.686	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)CCC)C[C@H]1c1ccccc1	ZINC001211724237	809342844	/nfs/dbraw/zinc/34/28/44/809342844.db2.gz	WFFFPDUELTVYOD-ZWKOTPCHSA-N	1	0	364.511	1.972	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)C[C@H]1c1ccccc1	ZINC001211725948	809386366	/nfs/dbraw/zinc/38/63/66/809386366.db2.gz	BFZSWFAWULLBCM-KSZLIROESA-N	1	0	360.479	1.171	20	30		FDEDRO
N#Cc1ccccc1OC1CCC(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1	ZINC000419032862	809441856	/nfs/dbraw/zinc/44/18/56/809441856.db2.gz	LBZLGRFFBJYIBX-AQFXKWCLSA-N	1	0	370.453	1.233	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2nc(C)ccc2=O)C1	ZINC001087441983	809682685	/nfs/dbraw/zinc/68/26/85/809682685.db2.gz	LAJSDABBHZUODO-RTBURBONSA-N	1	0	366.465	1.712	20	30		FDEDRO
COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)[C@@H]([NH3+])CCCC#N	ZINC000424138780	815316018	/nfs/dbraw/zinc/31/60/18/815316018.db2.gz	UVYDFYHJHOGFML-HNNXBMFYSA-N	1	0	360.414	1.269	20	30		FDEDRO
C=CCn1c(-c2ncccn2)nnc1N1CC[NH+](C(C)(C)COC)CC1	ZINC000424143387	815317046	/nfs/dbraw/zinc/31/70/46/815317046.db2.gz	QZKKMZKIVCKNDR-UHFFFAOYSA-N	1	0	357.462	1.468	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1	ZINC000424144688	815317736	/nfs/dbraw/zinc/31/77/36/815317736.db2.gz	XUHHSFUNKOMDFE-QGZVFWFLSA-N	1	0	357.458	1.227	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)C2)C[C@H]1c1ccccc1	ZINC001211732605	809808861	/nfs/dbraw/zinc/80/88/61/809808861.db2.gz	QGCRIHJFGHLSQX-CEXWTWQISA-N	1	0	353.466	1.462	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N(C)CC[NH3+])c1ccc(-c2cccc(C#N)c2)cc1	ZINC000419210406	809866661	/nfs/dbraw/zinc/86/66/61/809866661.db2.gz	QQWOIUJLMZWJHZ-AWEZNQCLSA-N	1	0	350.422	1.820	20	30		FDEDRO
CC#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2nnn(C)c2C)C1	ZINC001087454044	810041395	/nfs/dbraw/zinc/04/13/95/810041395.db2.gz	YFQFUTXHLCBQKV-QZTJIDSGSA-N	1	0	369.444	1.874	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H](C)n2cncn2)C1	ZINC001087454584	810046710	/nfs/dbraw/zinc/04/67/10/810046710.db2.gz	ZQEOUMJYMJLMGH-ATZDWAIDSA-N	1	0	369.444	1.976	20	30		FDEDRO
C[C@@]1(C#N)CN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CCO1	ZINC000894109378	810075469	/nfs/dbraw/zinc/07/54/69/810075469.db2.gz	OSARENYOUDGRPH-IEBWSBKVSA-N	1	0	358.442	1.077	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CCN(C(=O)[C@@H]3C[C@H]3CCC)C2)CC1	ZINC000983255278	815339346	/nfs/dbraw/zinc/33/93/46/815339346.db2.gz	YWOMNQOGOKSBDF-BHIYHBOVSA-N	1	0	359.514	1.733	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1	ZINC000983257966	815342288	/nfs/dbraw/zinc/34/22/88/815342288.db2.gz	FZCMMCINRUXELO-FRFSOERESA-N	1	0	369.425	1.087	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1)c1ccc(C#N)cc1	ZINC000419284434	810313181	/nfs/dbraw/zinc/31/31/81/810313181.db2.gz	MKPQRLAUHKQONR-CQSZACIVSA-N	1	0	354.454	1.726	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccc(C#N)cc1	ZINC000419289605	810328988	/nfs/dbraw/zinc/32/89/88/810328988.db2.gz	QRRKONAAZLEVDP-KSSFIOAISA-N	1	0	354.454	1.726	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000982610678	810550557	/nfs/dbraw/zinc/55/05/57/810550557.db2.gz	IXXCXRHSLZOWQQ-UKPHBRMFSA-N	1	0	357.458	1.195	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@]2(C)C[N@@H+]([C@H](CC)C(N)=O)C[C@]2(C)C1	ZINC000982642025	810671874	/nfs/dbraw/zinc/67/18/74/810671874.db2.gz	OWVWFYIUIPPPHV-STNJDDFNSA-N	1	0	363.502	1.402	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(C#N)cc1)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261764902	810768514	/nfs/dbraw/zinc/76/85/14/810768514.db2.gz	OSBHAORJODOPAI-UHFFFAOYSA-N	1	0	365.441	1.106	20	30		FDEDRO
N#Cc1ccc(N2C[C@@]3(COCC[N@@H+]([C@@H]4C[C@H]5C[C@H]5C4)C3)OCC2=O)cc1	ZINC001167929668	810824351	/nfs/dbraw/zinc/82/43/51/810824351.db2.gz	ZCFOBKZMTAKRTM-NZGUISNBSA-N	1	0	367.449	1.791	20	30		FDEDRO
C[NH+]=C(NCc1ccn(-c2ccccc2)n1)N1CCC[C@H](CC(N)=O)C1	ZINC000261776903	810826022	/nfs/dbraw/zinc/82/60/22/810826022.db2.gz	OTMSWCLAVFTBNS-OAHLLOKOSA-N	1	0	354.458	1.535	20	30		FDEDRO
C[C@@H]1CC[N@H+](CCNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1	ZINC000894186004	810856194	/nfs/dbraw/zinc/85/61/94/810856194.db2.gz	SMKDTNRFPSWKTQ-QLFBSQMISA-N	1	0	365.478	1.386	20	30		FDEDRO
C[NH+]=C(NCc1nnc(C)n1C)N[C@@H]1CCCN(c2cccc(F)c2)C1	ZINC000261951034	811351749	/nfs/dbraw/zinc/35/17/49/811351749.db2.gz	HIRQDLYVSNYXOW-OAHLLOKOSA-N	1	0	359.453	1.597	20	30		FDEDRO
C=CCNC(NCc1nnc(C)n1C)=[NH+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2	ZINC000261978963	811359840	/nfs/dbraw/zinc/35/98/40/811359840.db2.gz	OLHDIKOHYVIGKZ-DJIMGWMZSA-N	1	0	358.490	1.692	20	30		FDEDRO
CC[NH+]=C(NCc1nnc2n1CCC2)N1CC[C@H](C)[C@H](n2ccnc2)C1	ZINC000261983428	811360445	/nfs/dbraw/zinc/36/04/45/811360445.db2.gz	PMWPULLFDMOXTJ-LSDHHAIUSA-N	1	0	356.478	1.469	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)cc1[N+](=O)[O-]	ZINC000262004483	811364955	/nfs/dbraw/zinc/36/49/55/811364955.db2.gz	QZYDKWMLKWNAAG-UHFFFAOYSA-N	1	0	371.401	1.030	20	30		FDEDRO
CC(C)Oc1ccc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)cn1	ZINC000262026772	811370356	/nfs/dbraw/zinc/37/03/56/811370356.db2.gz	ZRCWHYCHDHDIRS-UHFFFAOYSA-N	1	0	355.446	1.296	20	30		FDEDRO
C[NH+]=C(NCCn1cc([N+](=O)[O-])cn1)N1CC[C@@H](C)[C@H](n2ccnc2)C1	ZINC000262027175	811370849	/nfs/dbraw/zinc/37/08/49/811370849.db2.gz	ZZTLGUZMPLEUCA-UKRRQHHQSA-N	1	0	360.422	1.146	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=[NH+]C)N2CC[C@H](c3cnn(C)c3)C2)c1	ZINC000262426138	811465092	/nfs/dbraw/zinc/46/50/92/811465092.db2.gz	CQAIIGDEBCFHAO-INIZCTEOSA-N	1	0	364.453	1.405	20	30		FDEDRO
N#Cc1ccccc1-c1ccc(CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1	ZINC000419631624	812052511	/nfs/dbraw/zinc/05/25/11/812052511.db2.gz	FFVNUVCLOVIZRB-KDURUIRLSA-N	1	0	374.444	1.519	20	30		FDEDRO
C=CCC[C@H](NC(=O)C(=O)N1CC[C@H](OC)C[C@H]1C[NH3+])c1ccccc1	ZINC000419660490	812092792	/nfs/dbraw/zinc/09/27/92/812092792.db2.gz	CFDTXLJTCVJYST-BZSNNMDCSA-N	1	0	359.470	1.775	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)NC[C@H]1CCC[NH2+]C1	ZINC000419869615	812266104	/nfs/dbraw/zinc/26/61/04/812266104.db2.gz	WLYNIFGCFASEBM-JQHSSLGASA-N	1	0	354.454	1.401	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1	ZINC000419932391	812293160	/nfs/dbraw/zinc/29/31/60/812293160.db2.gz	DOPMZMAEPSPFRT-QGZVFWFLSA-N	1	0	356.470	1.803	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@@H](C[NH3+])CC(C)C	ZINC000419957763	812304926	/nfs/dbraw/zinc/30/49/26/812304926.db2.gz	PEZDILSTGSECLF-OAHLLOKOSA-N	1	0	362.430	1.599	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1	ZINC000420001510	813392793	/nfs/dbraw/zinc/39/27/93/813392793.db2.gz	QARKGABKGZBZPO-QGZVFWFLSA-N	1	0	356.470	1.801	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC[NH2+]1	ZINC000420099134	813454555	/nfs/dbraw/zinc/45/45/55/813454555.db2.gz	BKPOVMADAGRJLB-RDTXWAMCSA-N	1	0	352.438	1.431	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1	ZINC000420098632	813455102	/nfs/dbraw/zinc/45/51/02/813455102.db2.gz	LVBNACQMULCPMV-WMLDXEAASA-N	1	0	363.408	1.727	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC[NH2+]1	ZINC000420119847	813480915	/nfs/dbraw/zinc/48/09/15/813480915.db2.gz	JMSDLGUBEMVXTF-BGTYHANMSA-N	1	0	354.454	1.541	20	30		FDEDRO
C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000420149874	813510524	/nfs/dbraw/zinc/51/05/24/813510524.db2.gz	WBIWDGIHAONHRR-KBXCAEBGSA-N	1	0	370.453	1.042	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1	ZINC000420189804	813541730	/nfs/dbraw/zinc/54/17/30/813541730.db2.gz	OQFWWQLHVDWCPF-SPUZQDLCSA-N	1	0	354.454	1.528	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCC(C#N)CC1	ZINC000501690657	813600323	/nfs/dbraw/zinc/60/03/23/813600323.db2.gz	RIAYTIQJLBSTJX-LPHOPBHVSA-N	1	0	368.481	1.775	20	30		FDEDRO
N#Cc1cncc(NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)n1	ZINC000420592411	813748358	/nfs/dbraw/zinc/74/83/58/813748358.db2.gz	ASSPBOHRKAAYLA-INIZCTEOSA-N	1	0	350.426	1.658	20	30		FDEDRO
N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@@H]3OCC(=O)N[C@H]3C1)CCC2	ZINC000366799883	813975810	/nfs/dbraw/zinc/97/58/10/813975810.db2.gz	IJMWUULCCNQPBO-KBPBESRZSA-N	1	0	374.466	1.026	20	30		FDEDRO
COc1ccc([C@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)c2ccc(C#N)cc2)cc1	ZINC000366941277	814145016	/nfs/dbraw/zinc/14/50/16/814145016.db2.gz	PPSIMYCVEBEARF-MOPGFXCFSA-N	1	0	371.462	1.991	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@@H]2C(=O)NC)c(OC)c1	ZINC000502835545	814287015	/nfs/dbraw/zinc/28/70/15/814287015.db2.gz	CEIFCRCWKCFFGP-IXDOHACOSA-N	1	0	362.470	1.668	20	30		FDEDRO
C[C@@H]([NH2+]CCC(=O)N(C)CCC#N)c1ccc(OCC(=O)NC2CC2)cc1	ZINC000271786448	814478420	/nfs/dbraw/zinc/47/84/20/814478420.db2.gz	PXWPBMMWTOBUAK-OAHLLOKOSA-N	1	0	372.469	1.757	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000271933217	814518332	/nfs/dbraw/zinc/51/83/32/814518332.db2.gz	LXDZALJVDRPTSB-SFHVURJKSA-N	1	0	368.481	1.914	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000272460512	814714303	/nfs/dbraw/zinc/71/43/03/814714303.db2.gz	CLRKWOBSMJUYHG-IOASZLSFSA-N	1	0	356.426	1.515	20	30		FDEDRO
C[C@@H](CCNC(=O)NCCNC(=O)C1N=CC=CC1=O)[NH+]1CCCCC1	ZINC000273199836	814790043	/nfs/dbraw/zinc/79/00/43/814790043.db2.gz	IPAJDTMUKHFUIW-HYEKCJMVSA-N	1	0	363.462	1.077	20	30		FDEDRO
N#Cc1ccc(CNC(=O)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)s1	ZINC000422219350	814802204	/nfs/dbraw/zinc/80/22/04/814802204.db2.gz	NZTBIUSYNNMGTH-INIZCTEOSA-N	1	0	370.478	1.838	20	30		FDEDRO
C[C@H]1CC[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)O1	ZINC000422468894	814820858	/nfs/dbraw/zinc/82/08/58/814820858.db2.gz	TYHCIEVPEXOZEO-MAUKXSAKSA-N	1	0	372.469	1.132	20	30		FDEDRO
C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C	ZINC000434825480	815798556	/nfs/dbraw/zinc/79/85/56/815798556.db2.gz	BWYWTXKLLHEOMB-CZUORRHYSA-N	1	0	361.442	1.311	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C1(c2cccc(C#N)c2)CC1	ZINC000434996253	815874863	/nfs/dbraw/zinc/87/48/63/815874863.db2.gz	LTUIHGPMIYDHQP-SFHVURJKSA-N	1	0	368.481	1.649	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4coc(CC)n4)[C@@H]3C2)C1=O	ZINC001075714994	815933275	/nfs/dbraw/zinc/93/32/75/815933275.db2.gz	PCBKSBLPWUTLIX-NUEKZKHPSA-N	1	0	358.442	1.170	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)C[C@H](CC#N)c3ccccc3)CC2)C1=O	ZINC000425311352	815969299	/nfs/dbraw/zinc/96/92/99/815969299.db2.gz	PENGMMORCNXRMX-HKUYNNGSSA-N	1	0	368.481	1.885	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccc(Cn2ccccc2=O)cc1	ZINC000514855701	816014174	/nfs/dbraw/zinc/01/41/74/816014174.db2.gz	AIGDVYKTGDRXFW-IBGZPJMESA-N	1	0	354.454	1.193	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCc1ccc(CC#N)cc1	ZINC000514858847	816015306	/nfs/dbraw/zinc/01/53/06/816015306.db2.gz	ZIPDQIBLBABPLZ-HOTGVXAUSA-N	1	0	356.470	1.605	20	30		FDEDRO
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N1CCC(CC[NH3+])CC1	ZINC000514946660	816037400	/nfs/dbraw/zinc/03/74/00/816037400.db2.gz	OZWAENMGDQTQOX-OALUTQOASA-N	1	0	368.481	1.872	20	30		FDEDRO
C=CCn1cc(CNC(=O)N[C@H]2CC[N@@H+](CCCOCC)C[C@H]2C)nn1	ZINC000425444532	816303483	/nfs/dbraw/zinc/30/34/83/816303483.db2.gz	BSZXLDIGQCVLOV-WBVHZDCISA-N	1	0	364.494	1.400	20	30		FDEDRO
COC(=O)c1ccc(N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c(C#N)n1	ZINC000515670616	816365007	/nfs/dbraw/zinc/36/50/07/816365007.db2.gz	ROYSZPMBPOWUNW-HNNXBMFYSA-N	1	0	357.458	1.346	20	30		FDEDRO
CSc1nc(C2CC2)cc(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)c1C#N	ZINC000515866909	816486988	/nfs/dbraw/zinc/48/69/88/816486988.db2.gz	MQYSYQPVNXFLDT-LJQANCHMSA-N	1	0	372.494	1.739	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[NH2+][C@@H](C1CCOCC1)C1(CO)CCC1	ZINC000425545211	816510403	/nfs/dbraw/zinc/51/04/03/816510403.db2.gz	QQTORXQMRYSNTJ-SFHVURJKSA-N	1	0	362.474	1.190	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@]2(C)CNC(=O)C2)C1	ZINC001087466558	816707708	/nfs/dbraw/zinc/70/77/08/816707708.db2.gz	YFJDKZOZCDEWML-OPYAIIAOSA-N	1	0	371.456	1.649	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2c[nH]c(=O)n2C)C1	ZINC001087466567	816716571	/nfs/dbraw/zinc/71/65/71/816716571.db2.gz	ZELNELZTDJPTNP-IAGOWNOFSA-N	1	0	370.428	1.876	20	30		FDEDRO
CC(=O)N1CC(C(=O)N2CC[C@H]3CN(Cc4cc(F)ccc4C#N)C[C@H]32)C1	ZINC001075733501	816879733	/nfs/dbraw/zinc/87/97/33/816879733.db2.gz	NHXOMABEDOZZNS-HNAYVOBHSA-N	1	0	370.428	1.208	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccoc4Cl)[C@@H]3C2)C1=O	ZINC001075736468	816974915	/nfs/dbraw/zinc/97/49/15/816974915.db2.gz	POECVVOZCJEENJ-AEGPPILISA-N	1	0	363.845	1.866	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)CC(C)(C)O)[C@@H]2C1	ZINC001075742031	817137488	/nfs/dbraw/zinc/13/74/88/817137488.db2.gz	FBJIZNANCVQHQJ-DOTOQJQBSA-N	1	0	357.454	1.761	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCCCCC1	ZINC000425857625	817242310	/nfs/dbraw/zinc/24/23/10/817242310.db2.gz	BCADOWNLJAHQQY-BZSNNMDCSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](C)C	ZINC000425858018	817242885	/nfs/dbraw/zinc/24/28/85/817242885.db2.gz	BYPIBOLADPSJHV-FHWLQOOXSA-N	1	0	373.497	1.675	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C	ZINC000425878222	817280891	/nfs/dbraw/zinc/28/08/91/817280891.db2.gz	YEKKSMLSPXKPOH-BZSNNMDCSA-N	1	0	359.470	1.421	20	30		FDEDRO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCCC1CC[NH+](C)CC1	ZINC000425891168	817312174	/nfs/dbraw/zinc/31/21/74/817312174.db2.gz	XQOVCQQKVYDTNK-HNNXBMFYSA-N	1	0	356.470	1.926	20	30		FDEDRO
C[NH+]=C(NCc1ccccc1CN1CCCC1=O)N1CC[C@@]2(CCOC2)C1	ZINC000261954261	817621044	/nfs/dbraw/zinc/62/10/44/817621044.db2.gz	IGWORXGYTFPDQL-OAQYLSRUSA-N	1	0	370.497	1.997	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CNC(=O)c2cc(-c3ccccc3)on2)CC1	ZINC000517988830	817658862	/nfs/dbraw/zinc/65/88/62/817658862.db2.gz	XKOIGVBMYYZCMW-UHFFFAOYSA-N	1	0	368.437	1.838	20	30		FDEDRO
N#Cc1cccc(NC(=O)CC[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1	ZINC000426139181	817696422	/nfs/dbraw/zinc/69/64/22/817696422.db2.gz	NAHPCELYOMVHAA-CYBMUJFWSA-N	1	0	368.359	1.887	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)C1	ZINC000506364493	817713346	/nfs/dbraw/zinc/71/33/46/817713346.db2.gz	SHDVTHXBIWGULC-MRXNPFEDSA-N	1	0	353.426	1.503	20	30		FDEDRO
C=CC[NH+]=C(NCc1nnc(C)n1C)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000261968258	817830959	/nfs/dbraw/zinc/83/09/59/817830959.db2.gz	LZXGLUNFOVVDSA-UHFFFAOYSA-N	1	0	361.494	1.086	20	30		FDEDRO
C#CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cc(C(N)=O)co2)C1	ZINC001087467618	817886962	/nfs/dbraw/zinc/88/69/62/817886962.db2.gz	GMCTUBATIANLHE-IAGOWNOFSA-N	1	0	369.396	1.739	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CCNC2=O)C1	ZINC001087475049	818297668	/nfs/dbraw/zinc/29/76/68/818297668.db2.gz	OBGBUANTVHMSID-FHWLQOOXSA-N	1	0	369.465	1.129	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2nnc[nH]2)C1	ZINC001087475867	818339157	/nfs/dbraw/zinc/33/91/57/818339157.db2.gz	HADMHLGODLWHHL-IRXDYDNUSA-N	1	0	355.442	1.977	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1	ZINC000983668541	818500437	/nfs/dbraw/zinc/50/04/37/818500437.db2.gz	BSMWFHUPSJTSAW-UKPHBRMFSA-N	1	0	357.458	1.337	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@](C)(NCC(=O)OC(C)(C)C)C1	ZINC000440491814	818689280	/nfs/dbraw/zinc/68/92/80/818689280.db2.gz	IDKPUGGPKAKPER-KXBFYZLASA-N	1	0	366.506	1.390	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1	ZINC000983727484	818831696	/nfs/dbraw/zinc/83/16/96/818831696.db2.gz	JBXDPLKLPGYTMD-FMKPAKJESA-N	1	0	357.458	1.195	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1	ZINC000983729959	818846523	/nfs/dbraw/zinc/84/65/23/818846523.db2.gz	UCCZSBAWPYRYBA-ZBFHGGJFSA-N	1	0	369.469	1.339	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1	ZINC000519657594	818988979	/nfs/dbraw/zinc/98/89/79/818988979.db2.gz	GOUCBYVEKTVWNA-LJQANCHMSA-N	1	0	373.497	1.909	20	30		FDEDRO
C[NH+](C)CCCOc1cnccc1CNC(=O)NCC#C[C@H]1CCCCO1	ZINC000894885371	819109719	/nfs/dbraw/zinc/10/97/19/819109719.db2.gz	ICTLZXZCBGNPIF-GOSISDBHSA-N	1	0	374.485	1.784	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)CN2CCCC2=O)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087498025	819321512	/nfs/dbraw/zinc/32/15/12/819321512.db2.gz	VFBVFAUGMPHBJS-JKSUJKDBSA-N	1	0	360.483	1.711	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]C[C@H](O)COCC(C)C	ZINC001167990779	819397073	/nfs/dbraw/zinc/39/70/73/819397073.db2.gz	BQMOVPINCPNJKJ-BZSNNMDCSA-N	1	0	356.507	1.487	20	30		FDEDRO
C=C[C@@H](CO)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2	ZINC000458880991	819480814	/nfs/dbraw/zinc/48/08/14/819480814.db2.gz	KWUAYJYHHIWKOS-MOPGFXCFSA-N	1	0	373.497	1.761	20	30		FDEDRO
Cc1cc(CN2CCN(C(=O)NCC3CC[NH+](C4CC4)CC3)CC2)on1	ZINC000328621837	819518658	/nfs/dbraw/zinc/51/86/58/819518658.db2.gz	XUPDBHCIGSNIFE-UHFFFAOYSA-N	1	0	361.490	1.889	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C#CC2CC2)[C@H](CNC(=O)[C@H]2CCCc3nccn32)C1	ZINC000983789541	819521529	/nfs/dbraw/zinc/52/15/29/819521529.db2.gz	FFVJIJHRVLLYGV-BPQIPLTHSA-N	1	0	368.481	1.917	20	30		FDEDRO
N#Cc1ccc([C@@H]2CN(C(=O)NCC[N@@H+]3CCCOCC3)CCO2)cc1	ZINC000895047416	819529607	/nfs/dbraw/zinc/52/96/07/819529607.db2.gz	VCXFMNWCSPUHJA-SFHVURJKSA-N	1	0	358.442	1.363	20	30		FDEDRO
C[C@@H]1CN(CC(=O)NC[C@H]2Cc3ccccc3O2)CC[N@@H+]1CC(C)(C)O	ZINC000328600477	819529754	/nfs/dbraw/zinc/52/97/54/819529754.db2.gz	DARLROYHSBXZCY-NVXWUHKLSA-N	1	0	361.486	1.724	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)NCc3ncnn3C(C)(C)C)C2)CC1	ZINC000328822553	819555229	/nfs/dbraw/zinc/55/52/29/819555229.db2.gz	RMVDITJWEHJDIA-OAHLLOKOSA-N	1	0	363.510	1.159	20	30		FDEDRO
Cn1ccnc1[C@@H]1CCN(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C1	ZINC000328871271	819573236	/nfs/dbraw/zinc/57/32/36/819573236.db2.gz	PYKPQESKYBFZJX-MRXNPFEDSA-N	1	0	374.533	1.682	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)Cn1ccnc1C	ZINC000983804777	819584518	/nfs/dbraw/zinc/58/45/18/819584518.db2.gz	SFEWOGCKFAPZFN-SPUZQDLCSA-N	1	0	374.485	1.526	20	30		FDEDRO
CC(C)N1C(=O)N[C@@H]2CN(CC(=O)NC3CC[NH+](C4CC4)CC3)CC[C@@H]21	ZINC000328918214	819592854	/nfs/dbraw/zinc/59/28/54/819592854.db2.gz	ADURMVPBHGFBPF-SJORKVTESA-N	1	0	363.506	1.651	20	30		FDEDRO
CN1C[C@H](C(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CC[N@@H+]2C3)CC1=O	ZINC000328995500	819607517	/nfs/dbraw/zinc/60/75/17/819607517.db2.gz	GKGFRULNTGKZTL-IKGGRYGDSA-N	1	0	370.453	1.020	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C[C@H]1CO	ZINC000331069490	819661350	/nfs/dbraw/zinc/66/13/50/819661350.db2.gz	BPHLEMLCKKHJPU-ZBFHGGJFSA-N	1	0	368.522	1.087	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H](CN(C)[C@H](C)C(=O)NC(=O)NC)[C@@H]1c1cnn(C)c1	ZINC000331248205	819674535	/nfs/dbraw/zinc/67/45/35/819674535.db2.gz	QZPPKJYVUHPUSK-IJEWVQPXSA-N	1	0	364.494	1.173	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3ccccc32)C[C@H]1C(F)(F)F	ZINC001112154344	819723399	/nfs/dbraw/zinc/72/33/99/819723399.db2.gz	HEXUFHWYJROCFO-BRWVUGGUSA-N	1	0	366.383	1.955	20	30		FDEDRO
CO[C@@H]1COCC[C@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000458976767	819759262	/nfs/dbraw/zinc/75/92/62/819759262.db2.gz	DBIUEJYIJDTRNH-RBUKOAKNSA-N	1	0	374.485	1.683	20	30		FDEDRO
CC(C)c1ccccc1C[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1	ZINC001083413585	820021025	/nfs/dbraw/zinc/02/10/25/820021025.db2.gz	WCZNFEZWSYZJQR-MOPGFXCFSA-N	1	0	352.438	1.985	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN2CC[C@H](NC(=O)c3ccn[nH]3)[C@H]2CC)c1	ZINC001087507437	820038378	/nfs/dbraw/zinc/03/83/78/820038378.db2.gz	XGHCOHSOEZBAFP-FUHWJXTLSA-N	1	0	365.437	1.612	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2)CC[N@@H+]1Cc1ccc(OC)c(C#N)c1	ZINC001087521611	820391460	/nfs/dbraw/zinc/39/14/60/820391460.db2.gz	NTEGKXJAXXDOQR-GVDBMIGSSA-N	1	0	370.453	1.315	20	30		FDEDRO
N#Cc1ccccc1CN1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1	ZINC001075798427	820432293	/nfs/dbraw/zinc/43/22/93/820432293.db2.gz	ANVNTBAXJYXESZ-PCCBWWKXSA-N	1	0	364.493	1.933	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](C)C(=O)N(C)C)C2)C1	ZINC001112162031	820649620	/nfs/dbraw/zinc/64/96/20/820649620.db2.gz	GMWMDGAEMMVLTB-JHJVBQTASA-N	1	0	361.408	1.798	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)[C@@H]2CCC[N@@H+]2C)c1	ZINC000984063006	820689812	/nfs/dbraw/zinc/68/98/12/820689812.db2.gz	VAEBOJKVTUHYBC-MNEFBYGVSA-N	1	0	368.481	1.514	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c1C#N	ZINC000441865708	820962565	/nfs/dbraw/zinc/96/25/65/820962565.db2.gz	JSLMVCOYRNGECM-OAHLLOKOSA-N	1	0	358.442	1.014	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1	ZINC000441986517	821013160	/nfs/dbraw/zinc/01/31/60/821013160.db2.gz	LNDNUQZONPNBAV-OAHLLOKOSA-N	1	0	356.426	1.661	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCNC(=O)C2)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087537604	821015787	/nfs/dbraw/zinc/01/57/87/821015787.db2.gz	MMEPQBXHTLVZPI-VBNZEHGJSA-N	1	0	360.483	1.615	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2COCCN2C)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087547875	821298055	/nfs/dbraw/zinc/29/80/55/821298055.db2.gz	SQZDOEMPMUOWTE-ZCNNSNEGSA-N	1	0	355.482	1.338	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1CC(=O)N1CCCC[C@@H]1C	ZINC001087548641	821307725	/nfs/dbraw/zinc/30/77/25/821307725.db2.gz	HBLGNGGZOZRYBU-JCGIZDLHSA-N	1	0	371.485	1.870	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)[C@H]1CC	ZINC001087570261	821552499	/nfs/dbraw/zinc/55/24/99/821552499.db2.gz	JBUXXLODIXREQP-BHYGNILZSA-N	1	0	359.474	1.698	20	30		FDEDRO
CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCCN(O)C2=O)C[C@H]1C(F)(F)F	ZINC000895192283	821605962	/nfs/dbraw/zinc/60/59/62/821605962.db2.gz	HJDFSCTWAJYWPI-IRCOFANPSA-N	1	0	352.353	1.867	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(OC)nc2)[C@@H]1CC	ZINC001087607342	821716093	/nfs/dbraw/zinc/71/60/93/821716093.db2.gz	YLBDVSNKDKTDRE-OTWHNJEPSA-N	1	0	370.497	1.657	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3c(C)ncn3C)[C@H]2CC)C1=O	ZINC001087612426	821740573	/nfs/dbraw/zinc/74/05/73/821740573.db2.gz	OFYOGRAARPJINS-ARFHVFGLSA-N	1	0	359.474	1.098	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087636017	821858655	/nfs/dbraw/zinc/85/86/55/821858655.db2.gz	XBECCHAHBHLVKN-UHOFOFEASA-N	1	0	360.483	1.615	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC[N@@H+]1Cc1cc(C#N)ccc1OC	ZINC001087691618	822052978	/nfs/dbraw/zinc/05/29/78/822052978.db2.gz	WVVZBPIVXFYTDQ-NMDDUFOESA-N	1	0	369.465	1.928	20	30		FDEDRO
C=C1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H](O)Cn3cccn3)[C@@H]2CC)CC1	ZINC001087712148	822165243	/nfs/dbraw/zinc/16/52/43/822165243.db2.gz	RBFHPCKFJXMKQW-GBESFXJTSA-N	1	0	360.502	1.960	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CCCc3nc(C)no3)[C@@H]2CC)c1	ZINC001087718957	822186379	/nfs/dbraw/zinc/18/63/79/822186379.db2.gz	SOCYYCXZOLHBMT-ZWKOTPCHSA-N	1	0	367.453	1.970	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CCc3ccns3)[C@@H]2CC)nn1	ZINC001087754036	822368852	/nfs/dbraw/zinc/36/88/52/822368852.db2.gz	LQJZFQWJDBIAIL-GOEBONIOSA-N	1	0	360.487	1.746	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](C[C@H]3CCCOC3)[C@@H]2CC)nn1	ZINC001087754787	822370179	/nfs/dbraw/zinc/37/01/79/822370179.db2.gz	ABYIQTYORRYZDM-SOLBZPMBSA-N	1	0	361.490	1.864	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2nnc[nH]2)CC[N@@H+]1Cc1ccc(OC)c(C#N)c1	ZINC001087767005	822393839	/nfs/dbraw/zinc/39/38/39/822393839.db2.gz	FOQBJRQNQHPHFD-LSDHHAIUSA-N	1	0	354.414	1.468	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C2CC2)[C@@H]1CC	ZINC001087810093	822469177	/nfs/dbraw/zinc/46/91/77/822469177.db2.gz	BHXKMPAZFUBDCS-VQTJNVASSA-N	1	0	367.493	1.800	20	30		FDEDRO
CO[C@H](C[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1)c1ccccc1	ZINC001083417754	822509452	/nfs/dbraw/zinc/50/94/52/822509452.db2.gz	BKGNITYUSCDLEJ-FGTMMUONSA-N	1	0	354.410	1.049	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N(C)C2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087841509	822565892	/nfs/dbraw/zinc/56/58/92/822565892.db2.gz	APGBWHDTQVVEQD-SLFFLAALSA-N	1	0	367.493	1.876	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCc3ccc(Cl)cc3)C[C@@H]2O)c[nH]1	ZINC001083418380	822628403	/nfs/dbraw/zinc/62/84/03/822628403.db2.gz	GXHSBQVCDQVBCH-SJORKVTESA-N	1	0	358.829	1.557	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC(=O)N2CCC2)C1	ZINC001088315676	828463633	/nfs/dbraw/zinc/46/36/33/828463633.db2.gz	FBENOBYMJYTYDN-KURKYZTESA-N	1	0	363.502	1.561	20	30		FDEDRO
C=C(C)C[C@@H](NC1CC[NH+](CCN2CCOCC2)CC1)C(=O)OCC	ZINC000895598131	822663880	/nfs/dbraw/zinc/66/38/80/822663880.db2.gz	NLEMYXPGXZJGKI-GOSISDBHSA-N	1	0	353.507	1.271	20	30		FDEDRO
N#C[C@H](c1ccccc1)N1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1	ZINC000895600325	822664588	/nfs/dbraw/zinc/66/45/88/822664588.db2.gz	YDZCLPOTBHJUJA-RTBURBONSA-N	1	0	354.454	1.116	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2C(=O)NCC23CCOCC3)c(C(F)(F)F)c1	ZINC000895770166	822735896	/nfs/dbraw/zinc/73/58/96/822735896.db2.gz	SLIYEQJIWGHTCK-CQSZACIVSA-N	1	0	353.344	1.962	20	30		FDEDRO
C#CC[NH+]1CCC(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1	ZINC000895810553	822749298	/nfs/dbraw/zinc/74/92/98/822749298.db2.gz	FVEHSQUFZZMJJO-UHFFFAOYSA-N	1	0	363.483	1.217	20	30		FDEDRO
C[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC001029841056	828491737	/nfs/dbraw/zinc/49/17/37/828491737.db2.gz	JBMLARQOQAOONU-QRVBRYPASA-N	1	0	368.481	1.740	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CC)C[C@H]1C(F)(F)F	ZINC001112190244	828526377	/nfs/dbraw/zinc/52/63/77/828526377.db2.gz	RHOBBMZUYMWEIN-MGPQQGTHSA-N	1	0	361.408	1.942	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)[C@@H]([NH2+]C(C)C)c2ccc(OC)cc2)CC1	ZINC000896000908	823909590	/nfs/dbraw/zinc/90/95/90/823909590.db2.gz	SNHMHMIITBKMKX-IBGZPJMESA-N	1	0	371.481	1.722	20	30		FDEDRO
COc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]3C2)ccn1	ZINC001087925580	823936871	/nfs/dbraw/zinc/93/68/71/823936871.db2.gz	UDDNGIWVLMOANV-SJORKVTESA-N	1	0	365.437	1.884	20	30		FDEDRO
Cc1cnc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]3C2)cn1	ZINC001087940148	824035049	/nfs/dbraw/zinc/03/50/49/824035049.db2.gz	WDSGBYAVHIENJZ-ZBFHGGJFSA-N	1	0	350.426	1.579	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)CC3OCCCO3)C[C@@H]2C1	ZINC001087944976	824050074	/nfs/dbraw/zinc/05/00/74/824050074.db2.gz	ZYCMIXWUFLVOMU-MOPGFXCFSA-N	1	0	369.465	1.992	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CCC(=O)Nc2nnc(C3CC3)o2)CC1	ZINC000474602067	824148233	/nfs/dbraw/zinc/14/82/33/824148233.db2.gz	ARRATKFGDNIOSX-UHFFFAOYSA-N	1	0	361.446	1.822	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H]2C[N@H+](C[C@H](O)Cc3ccccc3)CC[C@@H]2C1	ZINC001087961698	824182359	/nfs/dbraw/zinc/18/23/59/824182359.db2.gz	GEELLNQPOGZEOG-QHAWAJNXSA-N	1	0	352.478	1.784	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1	ZINC001087970280	824288531	/nfs/dbraw/zinc/28/85/31/824288531.db2.gz	OBBFLVUKXXXVHP-HCXYKTFWSA-N	1	0	358.486	1.682	20	30		FDEDRO
O=C(N1C[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)CC[C@@H]2C1)[C@]12C[C@H]1COC2	ZINC001087973279	824305301	/nfs/dbraw/zinc/30/53/01/824305301.db2.gz	RLENYXHGQPVAAY-GHDARCQNSA-N	1	0	368.452	1.994	20	30		FDEDRO
COC(=O)[C@](C)(C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(F)cc1	ZINC000447032783	828644411	/nfs/dbraw/zinc/64/44/11/828644411.db2.gz	ATYKIDDRPFHUDE-YLJYHZDGSA-N	1	0	369.396	1.944	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)NCc3nc(C#N)cs3)cc2)CC1	ZINC000896443719	824416853	/nfs/dbraw/zinc/41/68/53/824416853.db2.gz	AIUWSHAQMRMMFI-UHFFFAOYSA-N	1	0	370.482	1.766	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3cocn3)[C@H]2CC)CC1	ZINC000984686210	824484899	/nfs/dbraw/zinc/48/48/99/824484899.db2.gz	XIXBZBJBYGCTDO-DOTOQJQBSA-N	1	0	358.442	1.129	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1	ZINC000429716734	828662604	/nfs/dbraw/zinc/66/26/04/828662604.db2.gz	KPDMNRQRVLIIPN-XEYPJELSSA-N	1	0	374.529	1.616	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)CC1	ZINC000329153132	824632453	/nfs/dbraw/zinc/63/24/53/824632453.db2.gz	BOQHCEURXDJSEL-FHWLQOOXSA-N	1	0	361.534	1.237	20	30		FDEDRO
C=CCc1cc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)cc(OC)c1OC	ZINC000896576186	824651837	/nfs/dbraw/zinc/65/18/37/824651837.db2.gz	FXFPPXXCVAFSQN-WMLDXEAASA-N	1	0	361.486	1.796	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC(C(=O)N3CCOCC3)CC2)CC1	ZINC000329203504	824665536	/nfs/dbraw/zinc/66/55/36/824665536.db2.gz	YMQQEHXUYNXIGI-UHFFFAOYSA-N	1	0	364.490	1.122	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)Cc1ccccc1	ZINC001029480703	824666958	/nfs/dbraw/zinc/66/69/58/824666958.db2.gz	GRLSRJUVMFGZJV-XNTOXWQXSA-N	1	0	370.493	1.856	20	30		FDEDRO
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C	ZINC000896582751	824670062	/nfs/dbraw/zinc/67/00/62/824670062.db2.gz	TZCOJBMCJMHPPN-XJKSGUPXSA-N	1	0	355.442	1.615	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1cnn(CC)c1	ZINC001029481020	824673705	/nfs/dbraw/zinc/67/37/05/824673705.db2.gz	VZSQLUQBVDLATL-HCXYKTFWSA-N	1	0	358.486	1.712	20	30		FDEDRO
CC(C)[C@@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)c1nncn1C	ZINC000329250735	824695885	/nfs/dbraw/zinc/69/58/85/824695885.db2.gz	XTUSPYDCVWOSLU-GOEBONIOSA-N	1	0	364.494	1.611	20	30		FDEDRO
Cn1cc([C@H]2[C@@H](C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)CCC(=O)N2C)cn1	ZINC000329319749	824733277	/nfs/dbraw/zinc/73/32/77/824733277.db2.gz	TXMJQATUJIIGPQ-OWQGQXMQSA-N	1	0	359.474	1.770	20	30		FDEDRO
Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCO[C@@H]3CCC[C@@H]32)CCC[N@@H+]1C	ZINC000329344617	824747859	/nfs/dbraw/zinc/74/78/59/824747859.db2.gz	QPDOLOIKKZXHHL-CWLKWCNXSA-N	1	0	361.490	1.970	20	30		FDEDRO
CCN1CCOC[C@H]1C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1	ZINC000329345890	824748422	/nfs/dbraw/zinc/74/84/22/824748422.db2.gz	CAFFUTTVLGYDJE-KRWDZBQOSA-N	1	0	361.490	1.401	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cccn2c(O)nnc12	ZINC000329359631	824754308	/nfs/dbraw/zinc/75/43/08/824754308.db2.gz	XPBBHVYPEKQSFX-HUUCEWRRSA-N	1	0	359.430	1.507	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](N2CCOCC2)C1	ZINC000520425462	824791007	/nfs/dbraw/zinc/79/10/07/824791007.db2.gz	WZUQLQPZSYVSGF-PMACEKPBSA-N	1	0	360.498	1.951	20	30		FDEDRO
N#Cc1cc(NC(=O)[C@@]23CC[N@H+](C2)CCC3)ccc1N1CCC(O)CC1	ZINC000896704257	824808922	/nfs/dbraw/zinc/80/89/22/824808922.db2.gz	WGOITDSRSSIOHO-FQEVSTJZSA-N	1	0	354.454	1.944	20	30		FDEDRO
Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1	ZINC000329483540	824828759	/nfs/dbraw/zinc/82/87/59/824828759.db2.gz	QEXOTYRFTYQWEX-LZLYRXPVSA-N	1	0	361.490	1.972	20	30		FDEDRO
C[C@H](O)C1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CC1	ZINC000329487393	824830406	/nfs/dbraw/zinc/83/04/06/824830406.db2.gz	GQZACMSQMULWII-QILLFSRXSA-N	1	0	363.506	1.810	20	30		FDEDRO
C[C@@H](NC(=O)C1CCCC1)C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1	ZINC000329564434	824888187	/nfs/dbraw/zinc/88/81/87/824888187.db2.gz	NWDREANOYLJRSF-OAHLLOKOSA-N	1	0	367.490	1.207	20	30		FDEDRO
C[NH+]1CCC(O)(CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1	ZINC000474990755	824900309	/nfs/dbraw/zinc/90/03/09/824900309.db2.gz	YZXFTPWDUQOWPK-UHFFFAOYSA-N	1	0	369.421	1.917	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC3CC3)CC[C@@H]2C1	ZINC001087992914	824956124	/nfs/dbraw/zinc/95/61/24/824956124.db2.gz	RSSABXDUTWWGBQ-CVEARBPZSA-N	1	0	356.470	1.347	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccc4c(c3)NC(=O)C4)C[C@@H]2C1	ZINC001087997313	825011817	/nfs/dbraw/zinc/01/18/17/825011817.db2.gz	XMHYJPBVLMYVNC-MSOLQXFVSA-N	1	0	351.450	1.527	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](CNCc2noc(C(C)(C)C)n2)C1	ZINC000984825327	825031777	/nfs/dbraw/zinc/03/17/77/825031777.db2.gz	VOOFQTUKENZXDZ-TUVASFSCSA-N	1	0	362.474	1.943	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3c3ccnn3CC)C[C@@H]2C1	ZINC001088000272	825059695	/nfs/dbraw/zinc/05/96/95/825059695.db2.gz	XRQGAYVUYSHXPF-AJYBTWMASA-N	1	0	370.497	1.784	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3ccco3)C2)C1=O	ZINC000984832123	825066170	/nfs/dbraw/zinc/06/61/70/825066170.db2.gz	CBKHIQKYDUDCPW-HHARLNAUSA-N	1	0	357.454	1.654	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3sccc3-n3ccnn3)C[C@@H]2C1	ZINC001088006045	825163094	/nfs/dbraw/zinc/16/30/94/825163094.db2.gz	MDGWOPRERYALBH-CABCVRRESA-N	1	0	355.467	1.746	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cnc[nH]c4=O)C[C@@H]3C2)c1	ZINC001088006451	825165995	/nfs/dbraw/zinc/16/59/95/825165995.db2.gz	HUKZDGAEQVZPTP-SJORKVTESA-N	1	0	363.421	1.648	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c(c3)N(C)CCO4)C[C@@H]2C1	ZINC001088011790	825229128	/nfs/dbraw/zinc/22/91/28/825229128.db2.gz	DTSBSSJMCNNIMU-MSOLQXFVSA-N	1	0	353.466	1.932	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H]2CC)nc1	ZINC000984898740	825302489	/nfs/dbraw/zinc/30/24/89/825302489.db2.gz	QWTFJDYZRIRDTD-FUHWJXTLSA-N	1	0	354.454	1.268	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)COC[C@@H]2CCOC2)C[C@H]1C(F)(F)F	ZINC001112173824	825302704	/nfs/dbraw/zinc/30/27/04/825302704.db2.gz	QCVJUEOLLGWQFO-MGPQQGTHSA-N	1	0	350.381	1.595	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)c2nnnn2C)C1	ZINC000984905279	825360379	/nfs/dbraw/zinc/36/03/79/825360379.db2.gz	JLLYPCBKDGYSCC-SUJAAXHWSA-N	1	0	362.478	1.127	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCN(CC)C2=O)C1	ZINC000984905231	825360443	/nfs/dbraw/zinc/36/04/43/825360443.db2.gz	IARGXJGLYHXTMW-ATIWLJMLSA-N	1	0	363.502	1.463	20	30		FDEDRO
C[C@H](NC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1)C1=CC[N@H+](C)CC1	ZINC000329716830	825362847	/nfs/dbraw/zinc/36/28/47/825362847.db2.gz	WYAGHDQVNVFOLG-RDJZCZTQSA-N	1	0	364.490	1.122	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC[N@@H+]1C	ZINC000329738252	825408755	/nfs/dbraw/zinc/40/87/55/825408755.db2.gz	UCZUWHGWAJCVIJ-BRWVUGGUSA-N	1	0	366.506	1.139	20	30		FDEDRO
C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1	ZINC000329827195	825487913	/nfs/dbraw/zinc/48/79/13/825487913.db2.gz	ISOKGWAOSYNFNE-GJZGRUSLSA-N	1	0	374.489	1.039	20	30		FDEDRO
[O-]C(NC[C@@H]1CCc2nccn2C1)=[NH+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000329898677	825530282	/nfs/dbraw/zinc/53/02/82/825530282.db2.gz	DYXQBVKMJLJMLO-USXIJHARSA-N	1	0	361.490	1.327	20	30		FDEDRO
CC(C)[C@H]1C[N@H+](C)CCN1CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O	ZINC000329903057	825535813	/nfs/dbraw/zinc/53/58/13/825535813.db2.gz	ICSXNIJOSFVXOF-MRXNPFEDSA-N	1	0	358.442	1.772	20	30		FDEDRO
C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CC(=O)Nc1cc(-n2cnnn2)ccc1F	ZINC000329905291	825536121	/nfs/dbraw/zinc/53/61/21/825536121.db2.gz	APWHZIRDVUAYDI-UKRRQHHQSA-N	1	0	373.436	1.948	20	30		FDEDRO
CN(C)C(=O)c1cc(NC(=O)N2CC[NH+](C3CCOCC3)CC2)ccn1	ZINC000329997138	825585788	/nfs/dbraw/zinc/58/57/88/825585788.db2.gz	PZRISZLKUCYXMD-UHFFFAOYSA-N	1	0	361.446	1.126	20	30		FDEDRO
Cn1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1	ZINC000330088391	825627381	/nfs/dbraw/zinc/62/73/81/825627381.db2.gz	NZPUPCMKHFDQBI-CRAIPNDOSA-N	1	0	370.457	1.933	20	30		FDEDRO
Cn1ncc2c1CCC[C@@H]2NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000330180632	825708501	/nfs/dbraw/zinc/70/85/01/825708501.db2.gz	NLKBHILVMJBTED-JQHSSLGASA-N	1	0	361.490	1.679	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)CC[C@@H]2C1	ZINC001088064439	825787104	/nfs/dbraw/zinc/78/71/04/825787104.db2.gz	FJSHRBXCCHNWAG-SJORKVTESA-N	1	0	363.502	1.228	20	30		FDEDRO
CN(C)c1ncccc1O[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1	ZINC000330282781	825793523	/nfs/dbraw/zinc/79/35/23/825793523.db2.gz	AUHFLCOQMSSTLV-GDBMZVCRSA-N	1	0	359.474	1.751	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2ccnc(OC)n2)CC1	ZINC000985659015	828830282	/nfs/dbraw/zinc/83/02/82/828830282.db2.gz	VINAUVBXZDTUJM-SJORKVTESA-N	1	0	360.458	1.499	20	30		FDEDRO
C[C@H](CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)C[NH+]1CCN(C)CC1	ZINC000281046905	825855446	/nfs/dbraw/zinc/85/54/46/825855446.db2.gz	XPCFJXFAFQMQAG-APWZRJJASA-N	1	0	353.470	1.240	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H]2CC(c3cc(OC)ccc3OC)=NO2)CC1	ZINC000281026774	825858420	/nfs/dbraw/zinc/85/84/20/825858420.db2.gz	WDKKMSLFBPQABJ-LJQANCHMSA-N	1	0	373.453	1.963	20	30		FDEDRO
O=C(N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)c1cc2n(n1)CCCO2	ZINC000330307962	825865913	/nfs/dbraw/zinc/86/59/13/825865913.db2.gz	SMNNRQSECRXHEH-WMZOPIPTSA-N	1	0	370.453	1.853	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4[C@@H]5COC[C@@H]54)C[C@@H]3C2)cc1F	ZINC001088073276	825974447	/nfs/dbraw/zinc/97/44/47/825974447.db2.gz	UQRRYPYIOHAVLB-GJNTUIEKSA-N	1	0	369.440	1.870	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C1=O	ZINC000281625739	826119323	/nfs/dbraw/zinc/11/93/23/826119323.db2.gz	GFONWIRCMQCYMJ-LJQANCHMSA-N	1	0	370.497	1.293	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@]4(F)CCOC4)C[C@@H]3C2)cc1	ZINC001088080602	826155722	/nfs/dbraw/zinc/15/57/22/826155722.db2.gz	FGVNVNHDBJHPTH-WSTZPKSXSA-N	1	0	357.429	1.967	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccnn2CC)[C@@H]1CC	ZINC000985047779	826232717	/nfs/dbraw/zinc/23/27/17/826232717.db2.gz	POIIMDLRXUZKQC-BBWFWOEESA-N	1	0	371.485	1.110	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+](C[C@@H]4CCCOC4)CC[C@@H]3C2)c1	ZINC001088099264	826390023	/nfs/dbraw/zinc/39/00/23/826390023.db2.gz	BUAYPNADSZFXCI-NSHGMRRFSA-N	1	0	353.466	1.883	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C(C)(C)C(F)F)C[C@@H]3C2)C1=O	ZINC001088098502	826392289	/nfs/dbraw/zinc/39/22/89/826392289.db2.gz	NENIIURWDRBPQR-ILXRZTDVSA-N	1	0	369.456	1.845	20	30		FDEDRO
C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(=O)cc3OC)C[C@@H]2C1	ZINC001088110138	826430743	/nfs/dbraw/zinc/43/07/43/826430743.db2.gz	NKAQEWYOSBMGFV-OLZOCXBDSA-N	1	0	351.834	1.942	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cn4nc(C)cc4[nH]c3=O)C[C@@H]2C1	ZINC001088140246	826652227	/nfs/dbraw/zinc/65/22/27/826652227.db2.gz	BGTIWVNHRYHQFZ-CABCVRRESA-N	1	0	355.442	1.301	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccccc3NC(C)=O)C[C@@H]2C1	ZINC001088144052	826695900	/nfs/dbraw/zinc/69/59/00/826695900.db2.gz	QYGVUJFIZZECCK-MOPGFXCFSA-N	1	0	353.466	1.991	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CCN1C(=O)C#CC1CC1	ZINC000985170649	826714447	/nfs/dbraw/zinc/71/44/47/826714447.db2.gz	SDIXLJQPOCHENG-DLBZAZTESA-N	1	0	354.454	1.670	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4nocc4C)C[C@@H]3C2)C1=O	ZINC001088162310	826925414	/nfs/dbraw/zinc/92/54/14/826925414.db2.gz	MBBKCADGIMRVAP-OWCLPIDISA-N	1	0	358.442	1.164	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@@H]2C1	ZINC001088160355	826934214	/nfs/dbraw/zinc/93/42/14/826934214.db2.gz	OSUDFPPTXMSEFW-CABCVRRESA-N	1	0	362.474	1.063	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccnc4nc(C)nn43)C[C@@H]2C1	ZINC001088169283	826988718	/nfs/dbraw/zinc/98/87/18/826988718.db2.gz	PPTADQDPGHQIEQ-CVEARBPZSA-N	1	0	354.458	1.793	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3nc4ncccn4n3)C[C@@H]2C1	ZINC001088199276	827429127	/nfs/dbraw/zinc/42/91/27/827429127.db2.gz	IWZXUOSZPATMBS-CVEARBPZSA-N	1	0	354.458	1.413	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)COc3cccc(C(N)=O)c3)C[C@@H]2C1	ZINC001088210577	827485792	/nfs/dbraw/zinc/48/57/92/827485792.db2.gz	QPQXJLSZHSFJTI-MSOLQXFVSA-N	1	0	371.481	1.911	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(NC(=O)NC)cc3)C[C@@H]2C1	ZINC001088216527	827526150	/nfs/dbraw/zinc/52/61/50/827526150.db2.gz	MDFJWAOJSAVZHF-SJORKVTESA-N	1	0	354.454	1.855	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3C(=O)Nc4ccccc43)C[C@@H]2C1	ZINC001088218938	827535518	/nfs/dbraw/zinc/53/55/18/827535518.db2.gz	XJOJNXJWQSZFOV-RYRKJORJSA-N	1	0	351.450	1.916	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC2)C1	ZINC001088234568	827598961	/nfs/dbraw/zinc/59/89/61/827598961.db2.gz	WQBLTMYDXLDVNR-IPMKNSEASA-N	1	0	370.497	1.866	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)CC2)C1	ZINC001088239301	827660144	/nfs/dbraw/zinc/66/01/44/827660144.db2.gz	RCYSOWSBRFEKBA-HSALFYBXSA-N	1	0	370.497	1.486	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@@H+](C)CCc2ccnn2C)CC1	ZINC000985435798	827819417	/nfs/dbraw/zinc/81/94/17/827819417.db2.gz	OWBYYNQCWHYETO-MOPGFXCFSA-N	1	0	360.502	1.867	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2CC)c1	ZINC000985437408	827827870	/nfs/dbraw/zinc/82/78/70/827827870.db2.gz	WXMAWYBTADVLBR-ZYSHUDEJSA-N	1	0	368.481	1.657	20	30		FDEDRO
CCOC(=O)C1CCN(C(NCc2nnc3n2CCCCC3)=[NH+]C)CC1	ZINC000262520029	827893751	/nfs/dbraw/zinc/89/37/51/827893751.db2.gz	DOVBFMQQTLUCFP-UHFFFAOYSA-N	1	0	362.478	1.355	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)[C@H]2CC)nc1	ZINC000985497162	828041632	/nfs/dbraw/zinc/04/16/32/828041632.db2.gz	CZGKZUWCHKCFFX-HHXXYDBFSA-N	1	0	368.481	1.514	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)CCOC)C[C@H]1C(F)(F)F	ZINC001112187294	828052814	/nfs/dbraw/zinc/05/28/14/828052814.db2.gz	XFFIBKUNEKIWNX-ZIAGYGMSSA-N	1	0	364.408	1.678	20	30		FDEDRO
CC(C)(C)[C@H]1OCCC[C@H]1CNC(=[NH2+])N1CCN(c2ncccn2)CC1	ZINC000262540342	828073805	/nfs/dbraw/zinc/07/38/05/828073805.db2.gz	RPOQPKOMKHADRP-HOTGVXAUSA-N	1	0	360.506	1.755	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+](C)C2CCN(C(=O)[C@@H]3CCO[C@H]3CC)CC2)C1=O	ZINC000985547710	828138563	/nfs/dbraw/zinc/13/85/63/828138563.db2.gz	KUTBZIKEBCPYIJ-SQNIBIBYSA-N	1	0	363.502	1.511	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1	ZINC000527297853	829022508	/nfs/dbraw/zinc/02/25/08/829022508.db2.gz	XDLFPDZAIRJODS-AWEZNQCLSA-N	1	0	370.453	1.994	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc2c(c1)nnn2C	ZINC001168100662	829196781	/nfs/dbraw/zinc/19/67/81/829196781.db2.gz	FTIBZZRDMLWPLH-YJBOKZPZSA-N	1	0	357.458	1.545	20	30		FDEDRO
CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1ccc(C#N)n1C	ZINC000448794872	829252519	/nfs/dbraw/zinc/25/25/19/829252519.db2.gz	COAHVYOANQADCK-MRXNPFEDSA-N	1	0	360.458	1.776	20	30		FDEDRO
Cn1c(C#N)ccc1C(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC000448848933	829271161	/nfs/dbraw/zinc/27/11/61/829271161.db2.gz	QZJTUVMZOSVNOZ-OAHLLOKOSA-N	1	0	365.437	1.846	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000448937954	829313704	/nfs/dbraw/zinc/31/37/04/829313704.db2.gz	RWEHBTWRCYDKOZ-OTWHNJEPSA-N	1	0	371.481	1.591	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1	ZINC000528365067	829361491	/nfs/dbraw/zinc/36/14/91/829361491.db2.gz	BBZXUDOZBDAXNA-MSOLQXFVSA-N	1	0	373.453	1.011	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1	ZINC000528350750	829363817	/nfs/dbraw/zinc/36/38/17/829363817.db2.gz	ADSOMOCQVAZTLV-MSOLQXFVSA-N	1	0	357.454	1.536	20	30		FDEDRO
CC(C)N(C)C(=O)C1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1	ZINC000528355289	829364760	/nfs/dbraw/zinc/36/47/60/829364760.db2.gz	ZROKTGWUNJCOJJ-SFHVURJKSA-N	1	0	359.470	1.877	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1CN1CCOCC1	ZINC000528391005	829378887	/nfs/dbraw/zinc/37/88/87/829378887.db2.gz	CUMFOZNVSKMDCN-MOPGFXCFSA-N	1	0	359.470	1.485	20	30		FDEDRO
C[N@H+](C[C@@H](O)COc1ccccc1C#N)C1CCN(c2cnccn2)CC1	ZINC000528491207	829432377	/nfs/dbraw/zinc/43/23/77/829432377.db2.gz	ZCLBYSWIPBMZEG-GOSISDBHSA-N	1	0	367.453	1.689	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CC[N@@H+](C[C@@H](O)COc3ccccc3C#N)C2)nc1	ZINC000528504529	829437674	/nfs/dbraw/zinc/43/76/74/829437674.db2.gz	BPTFMMDDWKWZRO-QZTJIDSGSA-N	1	0	364.405	1.718	20	30		FDEDRO
CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1	ZINC000528535228	829446329	/nfs/dbraw/zinc/44/63/29/829446329.db2.gz	CPUYTGMZERVTME-CZUORRHYSA-N	1	0	371.359	1.298	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)N1CCCCC1	ZINC001168109565	829529341	/nfs/dbraw/zinc/52/93/41/829529341.db2.gz	BROMQQRXLJJNIC-IKGGRYGDSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N[C@@H](C)c1ccco1	ZINC001168109732	829534473	/nfs/dbraw/zinc/53/44/73/829534473.db2.gz	GGMJBEMEIMVHBA-MPGHIAIKSA-N	1	0	363.458	1.534	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)N1CCC(C)CC1	ZINC001168110429	829554392	/nfs/dbraw/zinc/55/43/92/829554392.db2.gz	UFLAXZOADPGDQQ-BZSNNMDCSA-N	1	0	365.518	1.711	20	30		FDEDRO
C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)Cc2ccc(C#N)nc2)cc1	ZINC000528812150	829569610	/nfs/dbraw/zinc/56/96/10/829569610.db2.gz	WAYIELUABLWCMA-QGZVFWFLSA-N	1	0	354.410	1.436	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2cn(C)nc2C)C1	ZINC001029864313	829576780	/nfs/dbraw/zinc/57/67/80/829576780.db2.gz	JJDKSAOWQODAEK-NEWSRXKRSA-N	1	0	360.502	1.990	20	30		FDEDRO
C=CCC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3CCC)CC2)CC1	ZINC000985828436	829793167	/nfs/dbraw/zinc/79/31/67/829793167.db2.gz	VMTZMGMSEQMWBQ-QZTJIDSGSA-N	1	0	362.518	1.881	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@H]3CC[NH2+]C34CCC4)C2=O)cc1	ZINC000529328330	829833897	/nfs/dbraw/zinc/83/38/97/829833897.db2.gz	YSJNMMUIIBIWGG-SJORKVTESA-N	1	0	367.453	1.637	20	30		FDEDRO
C[NH+](C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C1)C1CC1	ZINC000985974893	830225923	/nfs/dbraw/zinc/22/59/23/830225923.db2.gz	GQJNTHURYXFLMK-VKJFTORMSA-N	1	0	369.469	1.147	20	30		FDEDRO
C[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]3C2)CC1	ZINC000985980319	830236146	/nfs/dbraw/zinc/23/61/46/830236146.db2.gz	VMZIKNHTXVUOHQ-WBVHZDCISA-N	1	0	369.469	1.149	20	30		FDEDRO
CC(C)(C[C@H]1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1)C(N)=O	ZINC000451217694	830296837	/nfs/dbraw/zinc/29/68/37/830296837.db2.gz	PRYYBZIZJODPHM-QGZVFWFLSA-N	1	0	356.470	1.788	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1	ZINC000451651235	830413339	/nfs/dbraw/zinc/41/33/39/830413339.db2.gz	GJQHDRAILZJNBM-FGTMMUONSA-N	1	0	358.486	1.709	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1	ZINC000451651236	830413479	/nfs/dbraw/zinc/41/34/79/830413479.db2.gz	GJQHDRAILZJNBM-KSZLIROESA-N	1	0	358.486	1.709	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1CCN(Cc2cccc(C)c2)CC1	ZINC000451682658	830426654	/nfs/dbraw/zinc/42/66/54/830426654.db2.gz	SALXDZYQEFYZJO-UXHICEINSA-N	1	0	357.498	1.962	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	ZINC000531442302	830746272	/nfs/dbraw/zinc/74/62/72/830746272.db2.gz	GSMHYSBQZROVQC-QYZOEREBSA-N	1	0	355.486	1.714	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2COCCO2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088474264	830850530	/nfs/dbraw/zinc/85/05/30/830850530.db2.gz	FJVGCTVHOOFADN-JLSDUUJJSA-N	1	0	359.426	1.083	20	30		FDEDRO
C=CCn1c(-c2nnn(C)c2C)nnc1N(C)C1CC[NH+](CCC)CC1	ZINC000453420479	830932097	/nfs/dbraw/zinc/93/20/97/830932097.db2.gz	IABFLEACNJWWTP-UHFFFAOYSA-N	1	0	358.494	1.879	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1	ZINC000453568044	830946470	/nfs/dbraw/zinc/94/64/70/830946470.db2.gz	IMCVXXCCDKGBBB-QGZVFWFLSA-N	1	0	358.442	1.278	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)C4=CCCC4)CC[C@@H]3C2)CC1	ZINC000986246787	831359478	/nfs/dbraw/zinc/35/94/78/831359478.db2.gz	UUHZPDVNKFVGOV-UXHICEINSA-N	1	0	369.509	1.749	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1	ZINC000986416508	831638179	/nfs/dbraw/zinc/63/81/79/831638179.db2.gz	FKZUZABXYPHMGM-MSOLQXFVSA-N	1	0	355.482	1.335	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[N@@H+](C)[C@H]2CCN(C)C2=O)CC1	ZINC001029966317	831945359	/nfs/dbraw/zinc/94/53/59/831945359.db2.gz	PQYRHIGJSTZWOI-SQNIBIBYSA-N	1	0	363.502	1.369	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CCN(C(=O)C#CC3CC3)CC2)CC[N@@H+]1C	ZINC000986874046	832296378	/nfs/dbraw/zinc/29/63/78/832296378.db2.gz	NJHAECFDRMWJOB-ZYSHUDEJSA-N	1	0	359.514	1.873	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21	ZINC001075885314	832519491	/nfs/dbraw/zinc/51/94/91/832519491.db2.gz	QLNRNCLEISYLST-ZIFCJYIRSA-N	1	0	370.497	1.737	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1	ZINC000987647350	833513982	/nfs/dbraw/zinc/51/39/82/833513982.db2.gz	QHQQNFBBCJBVHH-CJNGLKHVSA-N	1	0	357.458	1.337	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)CC[NH+]1CCCCC1	ZINC000987648599	833515851	/nfs/dbraw/zinc/51/58/51/833515851.db2.gz	WLSGYNFLSBLWKD-PBHICJAKSA-N	1	0	357.458	1.482	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000988037643	833913716	/nfs/dbraw/zinc/91/37/16/833913716.db2.gz	RSXILGURZGAPIX-IMFGXOCKSA-N	1	0	367.493	1.929	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C)cc1	ZINC000988062899	833985211	/nfs/dbraw/zinc/98/52/11/833985211.db2.gz	NUCOPUWKHJCPHZ-MNEFBYGVSA-N	1	0	369.465	1.512	20	30		FDEDRO
C=CCC[C@@H](CO)NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1	ZINC000454053592	834503667	/nfs/dbraw/zinc/50/36/67/834503667.db2.gz	IOLDLEOBYLNKDG-SFHVURJKSA-N	1	0	359.470	1.707	20	30		FDEDRO
C=CCN(CCc1ccccc1)CC(=O)c1c(N)n(CCC)c(=O)[nH]c1=O	ZINC000532503231	834506582	/nfs/dbraw/zinc/50/65/82/834506582.db2.gz	SXCPQCARVXKMKV-UHFFFAOYSA-N	1	0	370.453	1.855	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1Cc1ccccc1C#N	ZINC001088571459	834839636	/nfs/dbraw/zinc/83/96/36/834839636.db2.gz	ATLHTBGNNUIULC-XPGWFJOJSA-N	1	0	352.482	1.979	20	30		FDEDRO
CN1CC[NH+]=C1NC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(Cc2ccccc2)c1	ZINC000262666192	837822157	/nfs/dbraw/zinc/82/21/57/837822157.db2.gz	OVIKLSKMCSIYNR-QFBILLFUSA-N	1	0	366.469	1.342	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N(CCOC)Cc2c(C)nn(C)c2C)CC1	ZINC000454540034	835548896	/nfs/dbraw/zinc/54/88/96/835548896.db2.gz	JPUUFAMMDRPDJG-UHFFFAOYSA-N	1	0	363.506	1.845	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)CC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC[N@@H+]1C	ZINC000988505588	835645186	/nfs/dbraw/zinc/64/51/86/835645186.db2.gz	OMGZQCAZIGCTST-RHSMWYFYSA-N	1	0	371.485	1.537	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CCN1C(=O)C#CC1CC1	ZINC000988507263	835661117	/nfs/dbraw/zinc/66/11/17/835661117.db2.gz	DCVUXZPTDUDBOC-BEFAXECRSA-N	1	0	353.466	1.881	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCCCO3)[C@@H]2C)CC1	ZINC000988508009	835663266	/nfs/dbraw/zinc/66/32/66/835663266.db2.gz	YZMNAYGKRIBOQM-NJAFHUGGSA-N	1	0	361.486	1.006	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3occc3C)[C@@H]2C)CC1	ZINC000988508045	835663649	/nfs/dbraw/zinc/66/36/49/835663649.db2.gz	ZFMNPSGVGIJCPT-WBVHZDCISA-N	1	0	357.454	1.652	20	30		FDEDRO
COc1cccc([C@@H]2[C@@H](NC(=O)N3CCO[C@@H](C#N)C3)CC[N@@H+]2C2CC2)c1	ZINC000245898646	835721325	/nfs/dbraw/zinc/72/13/25/835721325.db2.gz	DHWJOODBWKUCDP-GBESFXJTSA-N	1	0	370.453	1.907	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C)C1	ZINC000988533199	835798491	/nfs/dbraw/zinc/79/84/91/835798491.db2.gz	WGFLSZCUMOFPIZ-OIISXLGYSA-N	1	0	371.485	1.583	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCn2ccnc2C1	ZINC000455157303	835929152	/nfs/dbraw/zinc/92/91/52/835929152.db2.gz	XZCUAIICENPUOR-GOSISDBHSA-N	1	0	351.454	1.908	20	30		FDEDRO
C=CCN1CC[C@@H](N2CC[C@H](NC(=O)c3cc4occc4[nH]3)[C@H]2C)C1=O	ZINC001088600292	835939780	/nfs/dbraw/zinc/93/97/80/835939780.db2.gz	HUZVDLREKNYHPY-DVOMOZLQSA-N	1	0	356.426	1.740	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(=O)[nH]c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105669121	844138049	/nfs/dbraw/zinc/13/80/49/844138049.db2.gz	PJIPHLREJNQPHN-ZTRFORPCSA-N	1	0	359.470	1.943	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1CN(CC(=O)N(C)[C@@H](C)CC(C)C)C[C@H]1OC	ZINC001212024137	836303186	/nfs/dbraw/zinc/30/31/86/836303186.db2.gz	KSQFZFIXJIJHRR-GVDBMIGSSA-N	1	0	353.507	1.661	20	30		FDEDRO
O=C(N[C@@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@@H]1O)[C@H]1CC1(F)F	ZINC001083448374	836821558	/nfs/dbraw/zinc/82/15/58/836821558.db2.gz	IRSZIBBVMFKBSF-KFWWJZLASA-N	1	0	354.784	1.508	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(C(=O)NC)CCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105669330	844214496	/nfs/dbraw/zinc/21/44/96/844214496.db2.gz	QVWANASTGSSYEQ-OAFZBRQQSA-N	1	0	363.502	1.055	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000938039741	837191151	/nfs/dbraw/zinc/19/11/51/837191151.db2.gz	DBNRTLJQFZUKTJ-HHXXYDBFSA-N	1	0	371.481	1.922	20	30		FDEDRO
C#CCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1C[C@@H](C)CC(=O)N1)CCO2	ZINC001105470907	837897644	/nfs/dbraw/zinc/89/76/44/837897644.db2.gz	NSVLMHJBBCDLES-NZEHOUKNSA-N	1	0	361.486	1.054	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1	ZINC000272007667	838427566	/nfs/dbraw/zinc/42/75/66/838427566.db2.gz	JHKMLXYTLUQWDZ-SJKOYZFVSA-N	1	0	359.426	1.899	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1	ZINC000272331164	838433753	/nfs/dbraw/zinc/43/37/53/838433753.db2.gz	NCJRXZHWSNLWEQ-WMLDXEAASA-N	1	0	370.453	1.094	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C)cc1	ZINC000989209334	838712376	/nfs/dbraw/zinc/71/23/76/838712376.db2.gz	AFTWEORBQGZBCU-XPGWFJOJSA-N	1	0	365.477	1.729	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)C[C@@H]3C[C@H]3C3CC3)[C@H]2C)CC1	ZINC000989251631	838926930	/nfs/dbraw/zinc/92/69/30/838926930.db2.gz	LQTJUVAMHZIQRW-TTYHFUOFSA-N	1	0	371.525	1.873	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CCCO)C3)[C@H]2C(C)C)nc1	ZINC001105670357	844383445	/nfs/dbraw/zinc/38/34/45/844383445.db2.gz	ZNPFFFVZJMHIKE-XCJLJZCSSA-N	1	0	371.481	1.025	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H](NC(=O)C3C=CC=CC=C3)[C@@H](O)C2)cc1F	ZINC001083496729	844405084	/nfs/dbraw/zinc/40/50/84/844405084.db2.gz	JSTTWGAMVWWJSD-MOPGFXCFSA-N	1	0	353.397	1.657	20	30		FDEDRO
[NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cccc(C#Cc3cccs3)c2)CCO1	ZINC000667480512	844419241	/nfs/dbraw/zinc/41/92/41/844419241.db2.gz	MZDYGBJVNNIGHQ-INIZCTEOSA-N	1	0	369.446	1.273	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@H]2C)cn1	ZINC000989390241	839862252	/nfs/dbraw/zinc/86/22/52/839862252.db2.gz	HDFQQQWDYOOSKB-RCJHGTSTSA-N	1	0	368.481	1.512	20	30		FDEDRO
C[NH+]1CCC(CNC(=S)N2CCN(c3cc(C#N)ccn3)CC2)CC1	ZINC000760466149	839984724	/nfs/dbraw/zinc/98/47/24/839984724.db2.gz	CIELZTOTDYZWCL-UHFFFAOYSA-N	1	0	358.515	1.292	20	30		FDEDRO
N#CC1(c2ccccn2)CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1	ZINC000897669151	840200555	/nfs/dbraw/zinc/20/05/55/840200555.db2.gz	OREDDXCOQMTXAW-UHFFFAOYSA-N	1	0	354.454	1.576	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](CC)[C@@H]2CCCOC2)CC1	ZINC000897674813	840217602	/nfs/dbraw/zinc/21/76/02/840217602.db2.gz	IZHJEQHLAKJBBG-WBVHZDCISA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCCC[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)c1ccccc1	ZINC000897716990	840305394	/nfs/dbraw/zinc/30/53/94/840305394.db2.gz	OAKFXNBVXYVLLW-MOPGFXCFSA-N	1	0	372.513	1.562	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+]CCS(=O)(=O)N3CCCC3)CC2)cc1	ZINC000897829773	840466654	/nfs/dbraw/zinc/46/66/54/840466654.db2.gz	HRRQQCAGQANMSD-UHFFFAOYSA-N	1	0	362.499	1.542	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105594572	840577645	/nfs/dbraw/zinc/57/76/45/840577645.db2.gz	SKJSMYVPJDUURL-FTEYMNFISA-N	1	0	360.502	1.966	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)noc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105594433	840591850	/nfs/dbraw/zinc/59/18/50/840591850.db2.gz	QCXPOPKOAMCRFR-HBXLWWENSA-N	1	0	359.470	1.894	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccccc3O)[C@H]2C(C)C)C[C@H]1O	ZINC001105597704	840765521	/nfs/dbraw/zinc/76/55/21/840765521.db2.gz	GOYDCKSFZRAMIG-RDPOXOKHSA-N	1	0	356.466	1.995	20	30		FDEDRO
CCCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC#CCOC)C2)[C@@H]1C(C)C	ZINC001105598693	840778506	/nfs/dbraw/zinc/77/85/06/840778506.db2.gz	VYCUWFKDCLTCBY-IZBJGVDFSA-N	1	0	350.503	1.793	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)c1ccncc1	ZINC000842038839	840854183	/nfs/dbraw/zinc/85/41/83/840854183.db2.gz	IUIQJEHCPIBSCJ-SFHVURJKSA-N	1	0	352.438	1.803	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C	ZINC000989479261	841024232	/nfs/dbraw/zinc/02/42/32/841024232.db2.gz	YYUCMXGRSRLGLC-BDXSIMOUSA-N	1	0	363.502	1.415	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105603646	841178955	/nfs/dbraw/zinc/17/89/55/841178955.db2.gz	NFLAXEKTCDFPDM-IZBJGVDFSA-N	1	0	350.503	1.793	20	30		FDEDRO
C=CCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cncn3C)C2)[C@H]1C(C)C	ZINC001105603964	841180559	/nfs/dbraw/zinc/18/05/59/841180559.db2.gz	QUWYJVJFNMZOHD-LFGUQSLTSA-N	1	0	360.502	1.852	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105609944	841498453	/nfs/dbraw/zinc/49/84/53/841498453.db2.gz	DRZNJYJZJDDRFJ-RWQQGDIJSA-N	1	0	354.491	1.192	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)[C@H]2C)nc1	ZINC000989998370	841769562	/nfs/dbraw/zinc/76/95/62/841769562.db2.gz	XHUMNOVAGIAQFW-INMHGKMJSA-N	1	0	354.454	1.266	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccsc1)C2	ZINC001112247305	841917133	/nfs/dbraw/zinc/91/71/33/841917133.db2.gz	GSXAXEFZWKPLQV-ALKREAHSSA-N	1	0	359.495	1.718	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CCN1C(=O)C#CC1CC1	ZINC000990318751	841984204	/nfs/dbraw/zinc/98/42/04/841984204.db2.gz	MCOXABRLAKRDNF-BEFAXECRSA-N	1	0	357.498	1.627	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncccc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105613731	842225305	/nfs/dbraw/zinc/22/53/05/842225305.db2.gz	BONPJKLMQNDTGC-REHHDOPLSA-N	1	0	355.482	1.993	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)c2cc(C#N)c[nH]2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCF)C2	ZINC001105614993	842228579	/nfs/dbraw/zinc/22/85/79/842228579.db2.gz	NBYDCXUPQQVXEY-MTNOOBJLSA-N	1	0	362.449	1.826	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cc(C)n[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105615599	842231218	/nfs/dbraw/zinc/23/12/18/842231218.db2.gz	YNVRPBQWCWWPBJ-JYBIWHBTSA-N	1	0	360.502	1.803	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)ccn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619908	842240654	/nfs/dbraw/zinc/24/06/54/842240654.db2.gz	SRVDXEHLRXFQNN-ZJSJBZJDSA-N	1	0	357.498	1.937	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(=O)NC)[C@H]2C(C)C)C[C@H]1O	ZINC001105622901	842249059	/nfs/dbraw/zinc/24/90/59/842249059.db2.gz	JVTWNTZXQUNQDL-VVWQDTPRSA-N	1	0	351.491	1.055	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(C)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105628333	842261605	/nfs/dbraw/zinc/26/16/05/842261605.db2.gz	URFJLQJZIIYIGO-RNKNFESXSA-N	1	0	363.502	1.055	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH]nc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105637786	842273897	/nfs/dbraw/zinc/27/38/97/842273897.db2.gz	VRSCZZPSJPBUAW-FTEYMNFISA-N	1	0	358.486	1.575	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC#CCOC)C2)[C@@H]1C(C)C	ZINC001105633290	842282311	/nfs/dbraw/zinc/28/23/11/842282311.db2.gz	RRGOWJMRSZVLFA-RMVXJAJNSA-N	1	0	362.514	1.959	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCC(=C)C)C2)[C@@H]1C(C)C	ZINC001105633745	842282626	/nfs/dbraw/zinc/28/26/26/842282626.db2.gz	WIRNBMMZSXJOJK-QCFAMHMHSA-N	1	0	362.514	1.959	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccncc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105634112	842283700	/nfs/dbraw/zinc/28/37/00/842283700.db2.gz	ZKWKQVYNBDWLBT-UGESXGAOSA-N	1	0	369.509	1.922	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3cncnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105642358	842305817	/nfs/dbraw/zinc/30/58/17/842305817.db2.gz	IZQBQKLCCJBZAA-UKAVVXHISA-N	1	0	370.497	1.399	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(COCC)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105642390	842305947	/nfs/dbraw/zinc/30/59/47/842305947.db2.gz	JCARTRJBOGLJSS-IKVWTGGYSA-N	1	0	362.514	1.793	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3cncnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105642823	842320406	/nfs/dbraw/zinc/32/04/06/842320406.db2.gz	NHVCCSFBWPLJGX-QCFAMHMHSA-N	1	0	370.497	1.399	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)N(C)C)C2)[C@H]1C(C)C	ZINC001105645915	842392690	/nfs/dbraw/zinc/39/26/90/842392690.db2.gz	DWRBGOHLMSNFLX-MXHNKVEKSA-N	1	0	365.518	1.253	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@@H]1C(C)C	ZINC001105651375	842445713	/nfs/dbraw/zinc/44/57/13/842445713.db2.gz	GMSGOWPFEWVPQJ-IZBJGVDFSA-N	1	0	350.503	1.793	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(C)CCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105651408	842446489	/nfs/dbraw/zinc/44/64/89/842446489.db2.gz	GTIMUBFEPYCEHY-NEYJZJCJSA-N	1	0	362.514	1.793	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CCO)C3)[C@@H]2C(C)C)CCC1	ZINC001105655155	842482332	/nfs/dbraw/zinc/48/23/32/842482332.db2.gz	FXOVHHQSIGQTML-PDOICOKGSA-N	1	0	350.503	1.691	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)C[N@H+](C)CC(C)(C)C)C[C@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001105657112	842491361	/nfs/dbraw/zinc/49/13/61/842491361.db2.gz	WQRISNMMYZIZAP-CIWUYKSXSA-N	1	0	364.534	1.454	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(F)(F)C(F)F)[C@H]2C(C)C)C[C@H]1O	ZINC001105656417	842493522	/nfs/dbraw/zinc/49/35/22/842493522.db2.gz	PTJOKKIFYPETMY-UNIGVISCSA-N	1	0	364.383	1.876	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@@H]1O	ZINC001083470938	842645752	/nfs/dbraw/zinc/64/57/52/842645752.db2.gz	WKCGTBALKSSBAW-YSHGAJCASA-N	1	0	373.428	1.340	20	30		FDEDRO
Cc1cc(CC(=O)N[C@H]2CCN(Cc3ccccc3C#N)[C@@H]2C)n(C)n1	ZINC001088744419	842744333	/nfs/dbraw/zinc/74/43/33/842744333.db2.gz	YXDFMOSHRWCWLD-BEFAXECRSA-N	1	0	351.454	1.922	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)COc3cccnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105661975	842746346	/nfs/dbraw/zinc/74/63/46/842746346.db2.gz	LSIAJMMOEHGIGS-VURPSTOHSA-N	1	0	371.481	1.450	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COc3cccnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105661964	842746518	/nfs/dbraw/zinc/74/65/18/842746518.db2.gz	LSIAJMMOEHGIGS-QCFAMHMHSA-N	1	0	371.481	1.450	20	30		FDEDRO
C=CCN1CC[C@H](N2CC[C@H](NC(=O)c3cncc(CC)c3)[C@H]2C)C1=O	ZINC001088747930	842815907	/nfs/dbraw/zinc/81/59/07/842815907.db2.gz	FVOPFXXETISYIT-JLSDUUJJSA-N	1	0	356.470	1.624	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C	ZINC000990600416	842870465	/nfs/dbraw/zinc/87/04/65/842870465.db2.gz	TWTOXBPKWCBZOP-MHORFTMASA-N	1	0	365.518	1.757	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnc(C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105664260	842883513	/nfs/dbraw/zinc/88/35/13/842883513.db2.gz	XKSONPVSHABPBN-XCJLJZCSSA-N	1	0	355.482	1.993	20	30		FDEDRO
C=C(C)Cn1c(CNC(=O)c2ccco2)nnc1N1CC[NH+](CC)CC1	ZINC000460952006	842903749	/nfs/dbraw/zinc/90/37/49/842903749.db2.gz	NMSUVUYJQMNEBB-UHFFFAOYSA-N	1	0	358.446	1.519	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCCC[NH+]1CCCCC1	ZINC000462102384	843313409	/nfs/dbraw/zinc/31/34/09/843313409.db2.gz	NESUYAZCRXPGMK-UHFFFAOYSA-N	1	0	367.457	2.445	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(C(=O)N(C)C)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105667354	843617890	/nfs/dbraw/zinc/61/78/90/843617890.db2.gz	QZNWXOUNSUHGJO-JEWRLFTDSA-N	1	0	363.502	1.007	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCC(=O)NCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667657	843651443	/nfs/dbraw/zinc/65/14/43/843651443.db2.gz	SQOJVDSEYUDVRH-XNFNUYLZSA-N	1	0	365.518	1.445	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)NCC(C)(C)CCC#N)ccn2)CC1	ZINC000478277673	843677256	/nfs/dbraw/zinc/67/72/56/843677256.db2.gz	PJUZYZCBLMMNTB-UHFFFAOYSA-N	1	0	358.490	1.963	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(Cl)no3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105668312	843787813	/nfs/dbraw/zinc/78/78/13/843787813.db2.gz	JDHDTRHUMIDCBM-FAELENHSSA-N	1	0	365.861	1.931	20	30		FDEDRO
CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1	ZINC000898566854	844854250	/nfs/dbraw/zinc/85/42/50/844854250.db2.gz	RYOSZHDUMWJHMQ-RBUKOAKNSA-N	1	0	354.454	1.316	20	30		FDEDRO
CC1(C)CC[N@H+](CCNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000898591384	844890387	/nfs/dbraw/zinc/89/03/87/844890387.db2.gz	ROXZUJUDRNUULI-MRXNPFEDSA-N	1	0	357.458	1.848	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1	ZINC000991429577	861513319	/nfs/dbraw/zinc/51/33/19/861513319.db2.gz	OSUUFTKNGAMIOL-KSZLIROESA-N	1	0	363.502	1.558	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NC[C@@]3([NH+](C)C)CCSC3)cc2C1=O	ZINC000480275278	844978207	/nfs/dbraw/zinc/97/82/07/844978207.db2.gz	PLKPXIISEUTBPU-IBGZPJMESA-N	1	0	373.478	1.636	20	30		FDEDRO
C=CCCn1cc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)nn1	ZINC000898721251	845076146	/nfs/dbraw/zinc/07/61/46/845076146.db2.gz	RKURPAFTCWTVQR-LLVKDONJSA-N	1	0	351.252	1.918	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NCc1ccc(CC[NH3+])cc1)c1ccc(C#N)cc1	ZINC000842157597	845077602	/nfs/dbraw/zinc/07/76/02/845077602.db2.gz	RRELGPIXIFVFSW-AWEZNQCLSA-N	1	0	350.422	1.553	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCC(N)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105672734	845208894	/nfs/dbraw/zinc/20/88/94/845208894.db2.gz	BBKQPXIDFFIBCX-RGCFKVTRSA-N	1	0	351.491	1.184	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2C)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088811752	845210086	/nfs/dbraw/zinc/21/00/86/845210086.db2.gz	UOGZPMMNSZUKPH-FHLIZLRMSA-N	1	0	370.453	1.289	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCC(N)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105674180	845457416	/nfs/dbraw/zinc/45/74/16/845457416.db2.gz	TZQFMDZWKSANHA-SMOSDQRPSA-N	1	0	365.518	1.574	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccn(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105674669	845536040	/nfs/dbraw/zinc/53/60/40/845536040.db2.gz	IFWLUQACOGSYNE-FTEYMNFISA-N	1	0	360.502	1.966	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]12CCC[C@H]1[N@H+](CC(=O)NC1CC1)CC2	ZINC000990745944	845540797	/nfs/dbraw/zinc/54/07/97/845540797.db2.gz	ZQZMMENECXCNGA-AXVVYFOYSA-N	1	0	361.486	1.359	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCCOCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105674960	845624221	/nfs/dbraw/zinc/62/42/21/845624221.db2.gz	JZLWYBYUMINUFN-JYBIWHBTSA-N	1	0	368.518	1.582	20	30		FDEDRO
O=C(NCC(F)(C(F)(F)F)C(F)(F)F)[C@H]1C[N@@H+]2CCN1CCC2	ZINC000899097143	845758489	/nfs/dbraw/zinc/75/84/89/845758489.db2.gz	NFTWKGGGFPRKDO-MRVPVSSYSA-N	1	0	351.266	1.325	20	30		FDEDRO
CC(C)N1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)C1	ZINC001088815601	845792981	/nfs/dbraw/zinc/79/29/81/845792981.db2.gz	WTSZWPNLWKLNSV-LSTHTHJFSA-N	1	0	370.497	1.746	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1	ZINC000899120832	845818473	/nfs/dbraw/zinc/81/84/73/845818473.db2.gz	UANIXNPTQPTBJE-KRWDZBQOSA-N	1	0	354.454	1.600	20	30		FDEDRO
C#CC[C@H]1NC(=O)N(CCC[NH+]2CCN(c3cccc(C)c3)CC2)C1=O	ZINC000842236364	845848231	/nfs/dbraw/zinc/84/82/31/845848231.db2.gz	NUZRLDGZLAJJSL-GOSISDBHSA-N	1	0	354.454	1.451	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2CC[C@]3(CC[NH2+]C3)C2)ccc1Br	ZINC000899236663	845982325	/nfs/dbraw/zinc/98/23/25/845982325.db2.gz	FKPKAYKZXRIEOM-AWEZNQCLSA-N	1	0	370.272	1.695	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O	ZINC001083524011	846245292	/nfs/dbraw/zinc/24/52/92/846245292.db2.gz	CWGVNAPGPJODAX-ZCNNSNEGSA-N	1	0	370.497	1.482	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC[C@H]2CCN(C(=O)[C@]34C[C@H]3CCC4)C2)CC1	ZINC001060091023	846853092	/nfs/dbraw/zinc/85/30/92/846853092.db2.gz	VEZVIUXELXTTEV-LRXVAGHRSA-N	1	0	371.525	1.877	20	30		FDEDRO
COc1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)nn1C	ZINC001076022405	847058597	/nfs/dbraw/zinc/05/85/97/847058597.db2.gz	FWSBDYPXWPRISU-FUHWJXTLSA-N	1	0	365.437	1.647	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4occc4CC)[C@@H]3C2)C1=O	ZINC001076212320	847547980	/nfs/dbraw/zinc/54/79/80/847547980.db2.gz	MSFCTPPYSMIMSC-GVDBMIGSSA-N	1	0	357.454	1.775	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3C[N@H+](C[C@H]4CCNC(=O)CC4)C[C@H]32)c1	ZINC001076223431	847592613	/nfs/dbraw/zinc/59/26/13/847592613.db2.gz	YNPOJDPZBWIGJY-ZIFCJYIRSA-N	1	0	366.465	1.126	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001076247808	847656050	/nfs/dbraw/zinc/65/60/50/847656050.db2.gz	GYYQPMGFCOYZQU-ZSYWTGECSA-N	1	0	366.465	1.315	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C)nn4CC)[C@@H]3C2)C1=O	ZINC001076278653	847733129	/nfs/dbraw/zinc/73/31/29/847733129.db2.gz	SGHRMJXQVNYPNY-XYJFISCASA-N	1	0	371.485	1.145	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000668032623	847911283	/nfs/dbraw/zinc/91/12/83/847911283.db2.gz	GHZNLNZGZBWVKL-SFHVURJKSA-N	1	0	374.485	1.065	20	30		FDEDRO
C[C@H]1CCN(C(=O)C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)C1	ZINC001076443660	848128724	/nfs/dbraw/zinc/12/87/24/848128724.db2.gz	UGMZYLIAKOBZNA-ZYSHUDEJSA-N	1	0	366.465	1.459	20	30		FDEDRO
COc1ccc(C#N)cc1CN1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1	ZINC001076572701	848445092	/nfs/dbraw/zinc/44/50/92/848445092.db2.gz	FCXWFCCLEMINBP-PKOBYXMFSA-N	1	0	368.481	1.695	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(Cc4ncc(CC)o4)C[C@H]32)CC1	ZINC001076604517	848553555	/nfs/dbraw/zinc/55/35/55/848553555.db2.gz	JZYSCKCSRSSRCY-PKOBYXMFSA-N	1	0	370.497	1.615	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(F)s4)[C@@H]3C2)C1=O	ZINC001076630057	848601810	/nfs/dbraw/zinc/60/18/10/848601810.db2.gz	KDFPBVPQFKBVGD-BFHYXJOUSA-N	1	0	363.458	1.820	20	30		FDEDRO
C=C[C@@](C)(O)C(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1	ZINC000668113434	848658135	/nfs/dbraw/zinc/65/81/35/848658135.db2.gz	QKFXKHVFPPZKJG-HXUWFJFHSA-N	1	0	362.470	1.729	20	30		FDEDRO
N#Cc1ccccc1CN1C(=O)CN(C[N@@H+]2CC[C@]3(CCOC3)C2)C1=O	ZINC000151322711	861938743	/nfs/dbraw/zinc/93/87/43/861938743.db2.gz	OLKVGJFRPHQBCE-IBGZPJMESA-N	1	0	354.410	1.392	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C	ZINC001076727547	848870110	/nfs/dbraw/zinc/87/01/10/848870110.db2.gz	PYOFRBDDFYZIFC-QAETUUGQSA-N	1	0	351.491	1.463	20	30		FDEDRO
CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1)c1ccccc1	ZINC001076898624	849283984	/nfs/dbraw/zinc/28/39/84/849283984.db2.gz	SBCMXRAVBFGFCS-KURKYZTESA-N	1	0	354.410	1.049	20	30		FDEDRO
Cc1ccc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)cc1	ZINC001076907287	849301553	/nfs/dbraw/zinc/30/15/53/849301553.db2.gz	JBWGOLUDXIOFQO-RTBURBONSA-N	1	0	352.438	1.603	20	30		FDEDRO
O=C(N[C@@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@H]1O)C1=CCOCC1	ZINC001076919576	849318193	/nfs/dbraw/zinc/31/81/93/849318193.db2.gz	UPCXOQXEKMGDMU-QZTJIDSGSA-N	1	0	360.841	1.200	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1O	ZINC001077092044	849729301	/nfs/dbraw/zinc/72/93/01/849729301.db2.gz	AUGDEDAKSHIQOV-CEXWTWQISA-N	1	0	356.470	1.094	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C1CN(CC(F)(F)F)C1	ZINC000484762895	851096344	/nfs/dbraw/zinc/09/63/44/851096344.db2.gz	OXNCNCVOQFNZRG-UHFFFAOYSA-N	1	0	368.403	1.943	20	30		FDEDRO
C=CCN1CCC([NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1	ZINC000905093827	851677449	/nfs/dbraw/zinc/67/74/49/851677449.db2.gz	CGCNYXKWZVDOQT-MRXNPFEDSA-N	1	0	373.563	1.228	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([NH2+]C[C@H](O)CCC3(O)CCC3)C2=O)cc1	ZINC000905202883	851746223	/nfs/dbraw/zinc/74/62/23/851746223.db2.gz	ORJUXQYTGXUVEI-QZTJIDSGSA-N	1	0	357.454	1.699	20	30		FDEDRO
CO[C@@H]1C[C@@H](C(=O)NCC#CC[NH+](C)C)N(C(=O)OCc2ccccc2)C1	ZINC000913524238	862289840	/nfs/dbraw/zinc/28/98/40/862289840.db2.gz	FINPOXOZCMMZTM-MSOLQXFVSA-N	1	0	373.453	1.094	20	30		FDEDRO
N#Cc1ccccc1N1CCC(NS(=O)(=O)CC2CC[NH2+]CC2)CC1	ZINC000905359973	851859533	/nfs/dbraw/zinc/85/95/33/851859533.db2.gz	POKZKPWMFXQCSL-UHFFFAOYSA-N	1	0	362.499	1.446	20	30		FDEDRO
CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCC#CC[NH+](C)C)c1	ZINC000913514913	862294028	/nfs/dbraw/zinc/29/40/28/862294028.db2.gz	ANGRXCLKMYCFGR-UHFFFAOYSA-N	1	0	351.472	1.010	20	30		FDEDRO
CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NCC#CC[NH+](C)C)cc1	ZINC000913515037	862295590	/nfs/dbraw/zinc/29/55/90/862295590.db2.gz	GGWRGPSJGHGEIF-CQSZACIVSA-N	1	0	351.472	1.058	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1	ZINC000913515533	862297291	/nfs/dbraw/zinc/29/72/91/862297291.db2.gz	ASHUXBBHWSRXTC-UHFFFAOYSA-N	1	0	368.403	1.998	20	30		FDEDRO
Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)NCC#CC[NH+](C)C	ZINC000913516580	862298729	/nfs/dbraw/zinc/29/87/29/862298729.db2.gz	WNEHLTOVJMNWLT-UHFFFAOYSA-N	1	0	354.458	1.120	20	30		FDEDRO
COC(=O)c1cc(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)n(C)c1C	ZINC000905441175	851944977	/nfs/dbraw/zinc/94/49/77/851944977.db2.gz	SLFOJLYNCSKKPP-QGZVFWFLSA-N	1	0	371.437	1.716	20	30		FDEDRO
Cc1c(C(=O)NCC#CC[NH+](C)C)nnn1CCOc1ccc(F)cc1	ZINC000913521842	862306919	/nfs/dbraw/zinc/30/69/19/862306919.db2.gz	PCRLCQBHHCFHNR-UHFFFAOYSA-N	1	0	359.405	1.099	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(c2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)C1=O	ZINC000905489081	851990094	/nfs/dbraw/zinc/99/00/94/851990094.db2.gz	RDUMHZSJWIQZOM-QZTJIDSGSA-N	1	0	370.453	1.598	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCCN1CC(F)(F)F	ZINC000905567129	852040957	/nfs/dbraw/zinc/04/09/57/852040957.db2.gz	YOPBCZGJMBZPBW-GJZGRUSLSA-N	1	0	357.376	1.914	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCC3(CCOCC3)O2)c1	ZINC000905593312	852083368	/nfs/dbraw/zinc/08/33/68/852083368.db2.gz	GEQBJYVKTOAHIQ-INIZCTEOSA-N	1	0	364.467	1.650	20	30		FDEDRO
CC1(C)C[C@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C(C)(C)O1	ZINC000905620933	852093651	/nfs/dbraw/zinc/09/36/51/852093651.db2.gz	YMSKYAJZKQKYJF-CQSZACIVSA-N	1	0	351.472	1.910	20	30		FDEDRO
COC(=O)[C@H]1C[C@@H]2C[C@H]([NH2+]C[C@@H](O)COc3ccc(CC#N)cc3)[C@@H]2C1	ZINC000905655688	852122951	/nfs/dbraw/zinc/12/29/51/852122951.db2.gz	YBUGNKTYXJJZMW-DARIXABFSA-N	1	0	358.438	1.670	20	30		FDEDRO
C[C@H]([NH2+][C@H]1CCCN2CCSC[C@H]12)C(=O)NC1(C#N)CCCCC1	ZINC000905852302	852353172	/nfs/dbraw/zinc/35/31/72/852353172.db2.gz	HQPLLVQBLYNOTR-HRCADAONSA-N	1	0	350.532	1.887	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H]([NH2+][C@H]2CCCN3CCSC[C@H]23)C1=O	ZINC000905855448	852356864	/nfs/dbraw/zinc/35/68/64/852356864.db2.gz	RJNXITUIBCGNTG-SOUVJXGZSA-N	1	0	362.524	1.894	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@H]2COC[C@@H]2C1)C(C)C	ZINC000668531673	852736849	/nfs/dbraw/zinc/73/68/49/852736849.db2.gz	JNIAQVCMTSSIHC-OKZBNKHCSA-N	1	0	363.502	1.296	20	30		FDEDRO
Cc1cc(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc(C)c1C#N	ZINC000906632043	853120015	/nfs/dbraw/zinc/12/00/15/853120015.db2.gz	LPHUIZSAQCRZTL-UHFFFAOYSA-N	1	0	356.470	1.848	20	30		FDEDRO
CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000906710159	853199464	/nfs/dbraw/zinc/19/94/64/853199464.db2.gz	YOYGZPMCBIJCLC-GOSISDBHSA-N	1	0	362.433	1.534	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@H]1OC	ZINC001212145919	862477331	/nfs/dbraw/zinc/47/73/31/862477331.db2.gz	DRCRCFFBDCTVFA-VAMGGRTRSA-N	1	0	358.482	1.599	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cn2)[C@@H](C)C1	ZINC000906947767	853615329	/nfs/dbraw/zinc/61/53/29/853615329.db2.gz	QNAURJHLEBTISW-GOEBONIOSA-N	1	0	366.487	1.369	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)C1	ZINC000668584565	853645843	/nfs/dbraw/zinc/64/58/43/853645843.db2.gz	ZJHREZBQDVAYFW-ROUUACIJSA-N	1	0	364.534	1.191	20	30		FDEDRO
N#Cc1cccc(CN2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@@H](O)C2)c1	ZINC001083606952	853890566	/nfs/dbraw/zinc/89/05/66/853890566.db2.gz	YCXGUVCRBADTTQ-MOPGFXCFSA-N	1	0	361.405	1.181	20	30		FDEDRO
C[N@@H+]1CCC[C@](O)(CC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1	ZINC000907284210	854023999	/nfs/dbraw/zinc/02/39/99/854023999.db2.gz	LUAKTKTVGOCFGZ-SFHVURJKSA-N	1	0	357.389	1.668	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1	ZINC000907409899	854163271	/nfs/dbraw/zinc/16/32/71/854163271.db2.gz	ZRPKNWVZAVPQST-SFHVURJKSA-N	1	0	359.470	1.081	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCC[N@@H+]1C	ZINC000486505123	854737882	/nfs/dbraw/zinc/73/78/82/854737882.db2.gz	DWNBUSLGQYSIKA-JLSDUUJJSA-N	1	0	369.469	1.441	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N[C@@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2	ZINC000991121265	855144099	/nfs/dbraw/zinc/14/40/99/855144099.db2.gz	SOYYGRDNWOCOLX-ZJDLJICXSA-N	1	0	368.477	1.955	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N[C@]12CCC[C@@H]1[N@H+](CC#Cc1ccccc1)CC2	ZINC000991121261	855144190	/nfs/dbraw/zinc/14/41/90/855144190.db2.gz	SOYYGRDNWOCOLX-UTYWTXRGSA-N	1	0	368.477	1.955	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H](Oc2ccnc(C(=O)NC)c2)C1	ZINC000908204319	855190073	/nfs/dbraw/zinc/19/00/73/855190073.db2.gz	GUDUPBXNGOVNLA-MRXNPFEDSA-N	1	0	360.458	1.319	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1	ZINC000669250666	862677206	/nfs/dbraw/zinc/67/72/06/862677206.db2.gz	PDTOQQJOZLEFKT-IRXDYDNUSA-N	1	0	351.491	1.418	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1	ZINC000908436157	855421629	/nfs/dbraw/zinc/42/16/29/855421629.db2.gz	CIOKWTVUSKUQRU-IBGZPJMESA-N	1	0	367.490	1.210	20	30		FDEDRO
C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc[nH+]cc2)[C@@H](C)C1	ZINC000908662026	855665102	/nfs/dbraw/zinc/66/51/02/855665102.db2.gz	MTUPVQZULIAFEQ-HNNXBMFYSA-N	1	0	369.473	1.712	20	30		FDEDRO
C=CCn1c(-c2ccc(=O)n(C)c2)nnc1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1	ZINC000908744243	855744296	/nfs/dbraw/zinc/74/42/96/855744296.db2.gz	GQFRVMLRXKBAKS-ZBFHGGJFSA-N	1	0	354.458	1.360	20	30		FDEDRO
C#CCCCc1nnc(N2CC[NH+](C(C)(C)COC)CC2)n1CCOC	ZINC000909204010	856300481	/nfs/dbraw/zinc/30/04/81/856300481.db2.gz	CATNEEIGJJGTDN-UHFFFAOYSA-N	1	0	363.506	1.427	20	30		FDEDRO
C=C(C)Cn1c(-c2cccnn2)nnc1N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000909312260	856427788	/nfs/dbraw/zinc/42/77/88/856427788.db2.gz	FRCNRVUVSHHLMY-MRXNPFEDSA-N	1	0	371.489	1.858	20	30		FDEDRO
C#CCCCc1nnc(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)n1C[C@H]1CCCO1	ZINC000909770138	856518492	/nfs/dbraw/zinc/51/84/92/856518492.db2.gz	GRWPEUJORATUKA-RCCFBDPRSA-N	1	0	357.502	1.943	20	30		FDEDRO
C#CCCCc1nnc(N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)n1C[C@H]1CCCO1	ZINC000909775269	856542331	/nfs/dbraw/zinc/54/23/31/856542331.db2.gz	MHFPGRVZSZPSPR-HLIPFELVSA-N	1	0	357.502	1.801	20	30		FDEDRO
N#Cc1cccc(CN2C[C@@H](NC(=O)c3ccn4ccnc4c3)[C@@H](O)C2)c1	ZINC001083637241	857170741	/nfs/dbraw/zinc/17/07/41/857170741.db2.gz	LFUKNOLVBRPOBY-MSOLQXFVSA-N	1	0	361.405	1.181	20	30		FDEDRO
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C	ZINC000910733554	857569148	/nfs/dbraw/zinc/56/91/48/857569148.db2.gz	WLOKQHNFMWDQEC-KRWDZBQOSA-N	1	0	374.485	1.096	20	30		FDEDRO
C=CCCC1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](CCOC)C2)CCCC1	ZINC000668843577	857732271	/nfs/dbraw/zinc/73/22/71/857732271.db2.gz	UNWWXHOPLODJOP-INIZCTEOSA-N	1	0	351.491	1.466	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c1	ZINC000910987519	857988172	/nfs/dbraw/zinc/98/81/72/857988172.db2.gz	PTCCBFZDOZOTNH-KGLIPLIRSA-N	1	0	353.344	1.022	20	30		FDEDRO
CC(C)(C[NH3+])C1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1	ZINC000911172129	858283977	/nfs/dbraw/zinc/28/39/77/858283977.db2.gz	MNVISFULSIWGGH-UHFFFAOYSA-N	1	0	360.433	1.537	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)c1	ZINC000911403171	858590697	/nfs/dbraw/zinc/59/06/97/858590697.db2.gz	NQPNCMNPTAXJIW-INIZCTEOSA-N	1	0	372.444	1.552	20	30		FDEDRO
C[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000488806095	858751912	/nfs/dbraw/zinc/75/19/12/858751912.db2.gz	UJNANXRSJVXSNU-HHXXYDBFSA-N	1	0	374.460	1.237	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1	ZINC000911562275	858769618	/nfs/dbraw/zinc/76/96/18/858769618.db2.gz	JORHFMXQKZLNBI-GOSISDBHSA-N	1	0	356.470	1.945	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1	ZINC000668884720	858892787	/nfs/dbraw/zinc/89/27/87/858892787.db2.gz	PBCUXMKJNORMKP-INIZCTEOSA-N	1	0	359.470	1.857	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C	ZINC000668884389	858895285	/nfs/dbraw/zinc/89/52/85/858895285.db2.gz	JJDVYRQXMLSCPH-MRXNPFEDSA-N	1	0	359.470	1.857	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@H]21	ZINC000912080957	859335792	/nfs/dbraw/zinc/33/57/92/859335792.db2.gz	DBJJGMWYPBOMMT-SNPRPXQTSA-N	1	0	354.497	1.285	20	30		FDEDRO
CON=C(C(=O)N1[C@H](C)CCC[C@H]1CC[NH+](C)C)c1csc(N)n1	ZINC000912648826	859986588	/nfs/dbraw/zinc/98/65/88/859986588.db2.gz	KPGBDTLUTIDJIO-NEPJUHHUSA-N	1	0	353.492	1.797	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2n[nH]cc2I)CC1	ZINC000912888560	860971868	/nfs/dbraw/zinc/97/18/68/860971868.db2.gz	GHLRRVSFHHANCI-UHFFFAOYSA-N	1	0	358.183	1.298	20	30		FDEDRO
C#CC1(O)CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)CC1	ZINC000912971471	861165171	/nfs/dbraw/zinc/16/51/71/861165171.db2.gz	NAGNQWJNGYUODH-TZIWHRDSSA-N	1	0	368.477	1.512	20	30		FDEDRO
CN1c2ccccc2N(C)C1=C1C(=N)N(C[C@H]2CCC[N@H+](C)C2)CC1=O	ZINC000153987563	881627619	/nfs/dbraw/zinc/62/76/19/881627619.db2.gz	JGQHIVSVMKMHFC-AWEZNQCLSA-N	1	0	353.470	1.988	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C)on2)C[C@H]1C	ZINC001105801042	863249893	/nfs/dbraw/zinc/24/98/93/863249893.db2.gz	MPRTWKJBIZYUEC-GDBMZVCRSA-N	1	0	360.458	1.481	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2C=CCC2)C[C@H]1C	ZINC001105803576	863266593	/nfs/dbraw/zinc/26/65/93/863266593.db2.gz	NQOPARJYZWPNON-KZNAEPCWSA-N	1	0	360.502	1.789	20	30		FDEDRO
C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C[NH2+]CC#Cc1ccccc1Cl	ZINC001105809785	863327378	/nfs/dbraw/zinc/32/73/78/863327378.db2.gz	IETLRSNOIOWBGH-UKRRQHHQSA-N	1	0	362.861	1.044	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccn2C)C[C@H]1C	ZINC001105830284	863394736	/nfs/dbraw/zinc/39/47/36/863394736.db2.gz	XHGGKSWHHZGTND-HZPDHXFCSA-N	1	0	359.474	1.085	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCC)C[C@H]1C	ZINC001105840175	863438100	/nfs/dbraw/zinc/43/81/00/863438100.db2.gz	CAQYXBNDOJEDRL-RBSFLKMASA-N	1	0	352.479	1.261	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(=O)n3[nH]cnc3n2)C[C@H]1C	ZINC001106872794	881660578	/nfs/dbraw/zinc/66/05/78/881660578.db2.gz	HZCWZBBSVZSEJL-MGPQQGTHSA-N	1	0	358.446	1.070	20	30		FDEDRO
Cc1csc(=O)n1CC[NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C	ZINC001105847781	863492566	/nfs/dbraw/zinc/49/25/66/863492566.db2.gz	IFEJDLXVPVCSKQ-TZMCWYRMSA-N	1	0	368.528	1.159	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)/C=C(/C)C2CC2)C[C@H]1C	ZINC001105881518	863633463	/nfs/dbraw/zinc/63/34/63/863633463.db2.gz	FOXLDYUVCUXSNH-BEAZESRASA-N	1	0	360.502	1.789	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN(C)C(=O)C2CC2)C[C@H]1C(F)(F)F	ZINC001112111089	863786266	/nfs/dbraw/zinc/78/62/66/863786266.db2.gz	DGIJKDKLNPSQSO-ZIAGYGMSSA-N	1	0	361.408	1.800	20	30		FDEDRO
C#CCNS(=O)(=O)N1CC[NH+]([C@H](C)c2cccc3ccccc32)CC1	ZINC000761036089	863842416	/nfs/dbraw/zinc/84/24/16/863842416.db2.gz	DFATUEJGQNWDLO-MRXNPFEDSA-N	1	0	357.479	1.986	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)O1	ZINC001033186671	881700704	/nfs/dbraw/zinc/70/07/04/881700704.db2.gz	XZTKVGQBQUFUSY-AYOQOUSVSA-N	1	0	356.470	1.310	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC(=O)NC2)C[C@H]1C(F)(F)F	ZINC001112113003	863937507	/nfs/dbraw/zinc/93/75/07/863937507.db2.gz	YBMYMNNDDSTEQI-BFHYXJOUSA-N	1	0	361.408	1.848	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CC2)[C@H](C)C1	ZINC001105913444	863950885	/nfs/dbraw/zinc/95/08/85/863950885.db2.gz	YNVLCTZNFXKFIC-BFYDXBDKSA-N	1	0	351.491	1.178	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)nn2)[C@H](C)C1	ZINC001105914746	863962553	/nfs/dbraw/zinc/96/25/53/863962553.db2.gz	DKZYDCFTOIRQTA-OWCLPIDISA-N	1	0	362.474	1.651	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCOC2)C[C@H]1C	ZINC001105924520	864040474	/nfs/dbraw/zinc/04/04/74/864040474.db2.gz	UNZGVJPTPHLBIA-KZNAEPCWSA-N	1	0	363.502	1.298	20	30		FDEDRO
C[NH+]=C(NCCNC(=O)c1cccc(OC)c1)N1CC[C@]2(CCOC2)C1	ZINC000158075931	864050195	/nfs/dbraw/zinc/05/01/95/864050195.db2.gz	XUHOKFBFMLKFSM-IBGZPJMESA-N	1	0	360.458	1.113	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#Cc2ccccc2)[C@H](C)C1	ZINC001105929334	864061138	/nfs/dbraw/zinc/06/11/38/864061138.db2.gz	LHKYCZVTXQHRCA-UYAOXDASSA-N	1	0	367.493	1.805	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)c2cccc(OC)c2)[C@H](C)C1	ZINC001105941558	864150433	/nfs/dbraw/zinc/15/04/33/864150433.db2.gz	BQQKJQYQYMYJRH-SZVBFZGTSA-N	1	0	362.470	1.615	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]CCOCC(F)(F)C(F)F)[C@H](C)C1	ZINC001105945548	864185556	/nfs/dbraw/zinc/18/55/56/864185556.db2.gz	AAEWSPDSEWAUFW-IJLUTSLNSA-N	1	0	353.360	1.747	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCC2=CCCCC2)[C@H](C)C1	ZINC001105945553	864185614	/nfs/dbraw/zinc/18/56/14/864185614.db2.gz	ABGUEVGFPYCFJH-LZLYRXPVSA-N	1	0	360.502	1.837	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2ccccc2F)[C@H](C)C1	ZINC001105951516	864210569	/nfs/dbraw/zinc/21/05/69/864210569.db2.gz	FTYZFHJAXWRMPA-IIAWOOMASA-N	1	0	360.433	1.286	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]Cc2cc3n(n2)CCC3)[C@H](C)C1	ZINC001105982493	864333994	/nfs/dbraw/zinc/33/39/94/864333994.db2.gz	QTBYHKYUTYGMHM-IAGOWNOFSA-N	1	0	360.502	1.996	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)COCC(C)C)[C@H](C)C1	ZINC001105984265	864340522	/nfs/dbraw/zinc/34/05/22/864340522.db2.gz	CINDUMQGYSRGMO-QRVBRYPASA-N	1	0	370.534	1.687	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)/C(C)=C/C)C[C@H]1C	ZINC001105995820	864437449	/nfs/dbraw/zinc/43/74/49/864437449.db2.gz	GCVHIRXECWGCED-YLBTVKKYSA-N	1	0	350.463	1.037	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CCCc3nc(C)no3)[C@@H]2C)c1	ZINC001088846443	864545137	/nfs/dbraw/zinc/54/51/37/864545137.db2.gz	OHKOQEVSFUNQRW-DYVFJYSZSA-N	1	0	353.426	1.580	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1CN([C@@H](C)C(=O)NCc2ccccc2)C[C@H]1OC	ZINC001212185487	864627493	/nfs/dbraw/zinc/62/74/93/864627493.db2.gz	UZNFHGULRKXQPQ-QXAKKESOSA-N	1	0	371.481	1.310	20	30		FDEDRO
CCC[C@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC001106021488	864720213	/nfs/dbraw/zinc/72/02/13/864720213.db2.gz	XQEINCFJRKDGSF-QLFBSQMISA-N	1	0	359.474	1.489	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]CCn1cc(Cl)cn1	ZINC001106025722	864814370	/nfs/dbraw/zinc/81/43/70/864814370.db2.gz	FFMIVGTYZVWPGE-TZMCWYRMSA-N	1	0	360.849	1.734	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2ccco2)[C@H](C)C1	ZINC001106025999	864815764	/nfs/dbraw/zinc/81/57/64/864815764.db2.gz	QOSDWJFMNRPCHN-IAGOWNOFSA-N	1	0	359.470	1.774	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2nc(C)sc2C)[C@H](C)C1	ZINC001106034385	864911128	/nfs/dbraw/zinc/91/11/28/864911128.db2.gz	CMBOFHOBPDCWFG-IUODEOHRSA-N	1	0	362.499	1.084	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)CC2OCCCO2)C[C@H]1C	ZINC001106045649	864980391	/nfs/dbraw/zinc/98/03/91/864980391.db2.gz	LHJKTMKLJQSSSX-DGCLKSJQSA-N	1	0	361.280	1.732	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](C2CC2)[NH+](C)C)cc1	ZINC001004873082	881830271	/nfs/dbraw/zinc/83/02/71/881830271.db2.gz	IAAYPYHQPGUSLW-YSTOQKLRSA-N	1	0	365.477	1.870	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nc(CCCC)no2)[C@H](C)C1	ZINC001106058829	865067337	/nfs/dbraw/zinc/06/73/37/865067337.db2.gz	JSMFVRRDNRVQGY-SPYBWZPUSA-N	1	0	364.490	1.923	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@](C)(O)C=C)C[C@H]1C	ZINC001106065224	865105709	/nfs/dbraw/zinc/10/57/09/865105709.db2.gz	SRUYTYOBFXCRAT-MBOZVWFJSA-N	1	0	363.502	1.198	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nc(CC3CC3)no2)[C@H](C)C1	ZINC001106065446	865112029	/nfs/dbraw/zinc/11/20/29/865112029.db2.gz	YUKSINOHGGIGAP-ZXYWRSMDSA-N	1	0	362.474	1.533	20	30		FDEDRO
CC(C)C[C@H](NC(=O)Cc1ccc(C#N)nc1)C(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000599969044	865166279	/nfs/dbraw/zinc/16/62/79/865166279.db2.gz	RAFMYFXAEIKYHS-ROUUACIJSA-N	1	0	371.485	1.189	20	30		FDEDRO
CCn1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)ccc1=O	ZINC001088928234	865519546	/nfs/dbraw/zinc/51/95/46/865519546.db2.gz	UDEJUMCLJHAAOS-PBHICJAKSA-N	1	0	365.437	1.528	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)CCC=C3)C[C@H]1C	ZINC001106885242	881925550	/nfs/dbraw/zinc/92/55/50/881925550.db2.gz	YRDRCPRDPBBHEO-OXQOHEQNSA-N	1	0	365.477	1.693	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3ccccc3C)[C@H]2C)C1=O	ZINC001089030408	866154413	/nfs/dbraw/zinc/15/44/13/866154413.db2.gz	CUALRGHYSJAHSD-NZSAHSFTSA-N	1	0	355.482	1.903	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3c[nH]c4ncccc34)[C@H]2C)C1=O	ZINC001089047815	866294000	/nfs/dbraw/zinc/29/40/00/866294000.db2.gz	DGFYDTHBYIXUJO-COXVUDFISA-N	1	0	367.453	1.542	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3nnc(C)s3)[C@@H]2C)CC1	ZINC001089059120	866380542	/nfs/dbraw/zinc/38/05/42/866380542.db2.gz	AFODSGRVBPCYGV-CJNGLKHVSA-N	1	0	361.515	1.271	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C1	ZINC000992033346	867293908	/nfs/dbraw/zinc/29/39/08/867293908.db2.gz	ZVKSVBOKYOOODB-IRXDYDNUSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CC(NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1	ZINC000992056024	867512307	/nfs/dbraw/zinc/51/23/07/867512307.db2.gz	DUJXCSXTFLGIFG-SJORKVTESA-N	1	0	363.502	1.273	20	30		FDEDRO
Cc1cc(C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)ncc1C#N	ZINC000457509281	867520195	/nfs/dbraw/zinc/52/01/95/867520195.db2.gz	RHCXWMVRKAKJRQ-IAGOWNOFSA-N	1	0	355.486	1.892	20	30		FDEDRO
C=CCC[C@H](CO)NC(=O)NCc1ccccc1CN1CC[NH+](CC)CC1	ZINC000457660585	867607593	/nfs/dbraw/zinc/60/75/93/867607593.db2.gz	GALANMMXOOSALL-HXUWFJFHSA-N	1	0	374.529	1.950	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001061620528	882144946	/nfs/dbraw/zinc/14/49/46/882144946.db2.gz	BZMVFYLTTNQUDN-OWCLPIDISA-N	1	0	351.491	1.273	20	30		FDEDRO
Cc1n[nH]c(C)c1NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C	ZINC001106106096	868167074	/nfs/dbraw/zinc/16/70/74/868167074.db2.gz	IANGADDBUHBWFB-MLGOLLRUSA-N	1	0	357.458	1.063	20	30		FDEDRO
N#Cc1cc(C[N@@H+]2CC[C@@]3(NC(=O)[C@H]4C[C@H]4C(N)=O)CCC[C@@H]23)ccc1F	ZINC000992177232	868172062	/nfs/dbraw/zinc/17/20/62/868172062.db2.gz	JJSPJNCOBSUQHI-MJEZEWASSA-N	1	0	370.428	1.432	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C[NH2+]CC[C@H]1CCS(=O)(=O)C1	ZINC001106109234	868296986	/nfs/dbraw/zinc/29/69/86/868296986.db2.gz	GXXCNZWGIANDFR-IXDOHACOSA-N	1	0	368.543	1.545	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2csc(COC)n2)[C@H](C)C1	ZINC001106112266	868399072	/nfs/dbraw/zinc/39/90/72/868399072.db2.gz	ZWTCROJMTVEFEA-RBSFLKMASA-N	1	0	365.499	1.512	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](CC)C(N)=O)[C@H](C)C2)cc1	ZINC001106114135	868481757	/nfs/dbraw/zinc/48/17/57/868481757.db2.gz	VACBDOJKSCZRIP-SUMDDJOVSA-N	1	0	371.481	1.650	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCCCC2)[C@H](C)C1	ZINC001106114993	868514256	/nfs/dbraw/zinc/51/42/56/868514256.db2.gz	KNBBRLMPTKTYCI-QZTJIDSGSA-N	1	0	363.502	1.113	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nc3c(o2)CCCC3)[C@H](C)C1	ZINC001106116545	868577738	/nfs/dbraw/zinc/57/77/38/868577738.db2.gz	GKGZCTWOCDOKAI-BZUAXINKSA-N	1	0	359.470	1.776	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C(=O)NC)c2)[C@H](C)C1	ZINC001106117105	868585522	/nfs/dbraw/zinc/58/55/22/868585522.db2.gz	ZSAHEEYWSGBPKN-JTDSTZFVSA-N	1	0	371.481	1.269	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2cccc(C(=O)NC)c2)[C@H](C)C1	ZINC001106117195	868587159	/nfs/dbraw/zinc/58/71/59/868587159.db2.gz	KAKGYNWXUNWHRL-VQIMIIECSA-N	1	0	371.481	1.270	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC2CCCC2)[C@H](C)C1	ZINC001106117319	868593681	/nfs/dbraw/zinc/59/36/81/868593681.db2.gz	LLVJMHHYFPOTNP-IXDOHACOSA-N	1	0	363.502	1.158	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2nnc(OCC)s2)[C@H](C)C1	ZINC001106117600	868601134	/nfs/dbraw/zinc/60/11/34/868601134.db2.gz	VCHLQGQMMWTCJO-ZIAGYGMSSA-N	1	0	366.487	1.161	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)c2ccc(F)cc2)[C@H](C)C1	ZINC001106117610	868602385	/nfs/dbraw/zinc/60/23/85/868602385.db2.gz	VTLHCXITUDYRHJ-SUMDDJOVSA-N	1	0	362.445	1.583	20	30		FDEDRO
C=CCOc1cc(OC)ccc1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O	ZINC000463757649	868644647	/nfs/dbraw/zinc/64/46/47/868644647.db2.gz	VVGLUCCNCNABNG-MRXNPFEDSA-N	1	0	361.442	1.330	20	30		FDEDRO
C=CCCOCCCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC)[C@H](C)C1	ZINC001106124129	868908803	/nfs/dbraw/zinc/90/88/03/868908803.db2.gz	HNEXRZXAUJZAMB-IXDOHACOSA-N	1	0	353.507	1.568	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3scnc32)C[C@H]1C	ZINC001106127618	869012460	/nfs/dbraw/zinc/01/24/60/869012460.db2.gz	NQQLEUYDQCXPBU-ZIAGYGMSSA-N	1	0	370.478	1.343	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCc3ccc(OC)cc3)C[C@@H]2O)cc1	ZINC001083691315	869089310	/nfs/dbraw/zinc/08/93/10/869089310.db2.gz	JGXMQJXPFYMDKD-RTWAWAEBSA-N	1	0	364.445	1.694	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@H](O)C3CCCCC3)C[C@@H]2O)cc1	ZINC001083691192	869092832	/nfs/dbraw/zinc/09/28/32/869092832.db2.gz	CUFIJYMARBJZHZ-AABGKKOBSA-N	1	0	356.466	1.384	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CC2(CS(C)(=O)=O)CC2)C[C@H]1C	ZINC001106129498	869184394	/nfs/dbraw/zinc/18/43/94/869184394.db2.gz	BUCXWLANFTUSKZ-HZPDHXFCSA-N	1	0	356.532	1.852	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CC(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cc1	ZINC000992409231	869250460	/nfs/dbraw/zinc/25/04/60/869250460.db2.gz	UIITZHZZHSMBMD-RBUKOAKNSA-N	1	0	369.465	1.370	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)CCc2ncc[nH]2)C1	ZINC001060419644	869463615	/nfs/dbraw/zinc/46/36/15/869463615.db2.gz	FSDCAABMCRNRJW-XHSDSOJGSA-N	1	0	360.458	1.288	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)C2([NH+](C)C)CCC2)C1	ZINC001060420577	869508410	/nfs/dbraw/zinc/50/84/10/869508410.db2.gz	RIJUIUGEZXOKGV-ZACQAIPSSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4C4CC4)CC[C@@H]3C2)C1=O	ZINC000946815689	882338994	/nfs/dbraw/zinc/33/89/94/882338994.db2.gz	KLXKAIDHRYXYEK-YHDCXSKOSA-N	1	0	371.525	1.990	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H](CN2CCOCC2)c2ccccc2)CC1	ZINC000913947613	870101052	/nfs/dbraw/zinc/10/10/52/870101052.db2.gz	HQDLKCFXKJFGOE-HXUWFJFHSA-N	1	0	370.497	1.457	20	30		FDEDRO
C#CCC1(NC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CCC1	ZINC000916754615	882377681	/nfs/dbraw/zinc/37/76/81/882377681.db2.gz	VDZAASYRVGHWKA-UHFFFAOYSA-N	1	0	370.501	1.624	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)NCC#Cc1ccccc1)C2	ZINC000913984396	870223653	/nfs/dbraw/zinc/22/36/53/870223653.db2.gz	SBYSAYZQQUPBLS-WERVVEIQSA-N	1	0	355.482	1.817	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)NCc1ccc(C#N)cc1)C2	ZINC000914053169	870485520	/nfs/dbraw/zinc/48/55/20/870485520.db2.gz	QQBDNLFHJUXXPP-SOAMZJECSA-N	1	0	356.470	1.837	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCN(CC)C(=O)OC(C)(C)C)CC1	ZINC000916850892	882439053	/nfs/dbraw/zinc/43/90/53/882439053.db2.gz	KDXCRWYKBSIVFQ-UHFFFAOYSA-N	1	0	352.479	1.640	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCC)[C@H](C)C1	ZINC001106147026	871403499	/nfs/dbraw/zinc/40/34/99/871403499.db2.gz	RZVFGQPXNHLOLO-VQHPVUNQSA-N	1	0	351.491	1.178	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2c(C3CCC3)cnn2C)C[C@H]1C	ZINC001106152294	871432629	/nfs/dbraw/zinc/43/26/29/871432629.db2.gz	NFCUIQVLSOBKCS-NVXWUHKLSA-N	1	0	358.486	1.635	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CNC(=O)c2ccncc2)C[C@H]1C	ZINC001106162606	871513254	/nfs/dbraw/zinc/51/32/54/871513254.db2.gz	DXFORPPQHGHTSS-IUODEOHRSA-N	1	0	350.850	1.248	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)NC(=O)C2CCCC2)C[C@H]1C	ZINC001106166973	871523247	/nfs/dbraw/zinc/52/32/47/871523247.db2.gz	GJYJFGQQAPAEST-SOLBZPMBSA-N	1	0	363.502	1.015	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2Cc3ccccc3O2)C[C@H]1C	ZINC001106167203	871523930	/nfs/dbraw/zinc/52/39/30/871523930.db2.gz	QIIZZGKYDTXAAB-BHIYHBOVSA-N	1	0	356.466	1.714	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H](C[NH2+]C[C@H](O)Cn2cccn2)[C@H](C)C1	ZINC001106173893	871603913	/nfs/dbraw/zinc/60/39/13/871603913.db2.gz	KQWQHADZNRMGKW-QRQLOZEOSA-N	1	0	360.502	1.697	20	30		FDEDRO
C#CCN(C(=O)NC1CCN(c2cc(C)[nH]n2)CC1)C1CC[NH+](C)CC1	ZINC000922123951	872246707	/nfs/dbraw/zinc/24/67/07/872246707.db2.gz	ZGOVDBLKVYMVMN-UHFFFAOYSA-N	1	0	358.490	1.426	20	30		FDEDRO
C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001033490716	882618932	/nfs/dbraw/zinc/61/89/32/882618932.db2.gz	VJKDSUHZQIQDLJ-JENIJYKNSA-N	1	0	356.470	1.710	20	30		FDEDRO
C[NH+](C)CCCCCCCNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1	ZINC000914401802	872718024	/nfs/dbraw/zinc/71/80/24/872718024.db2.gz	XUAMZSAJCCQDNL-WBVHZDCISA-N	1	0	370.519	1.078	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C)cc1	ZINC000994412796	882644454	/nfs/dbraw/zinc/64/44/54/882644454.db2.gz	QLUAHHDHQGYOKF-VQIMIIECSA-N	1	0	367.493	1.977	20	30		FDEDRO
C[NH+]1CCC(O)(CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1	ZINC000265822563	872900785	/nfs/dbraw/zinc/90/07/85/872900785.db2.gz	BVHHTRSSBCGSGF-UHFFFAOYSA-N	1	0	369.387	1.813	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COCCOC)[C@H](C)C1	ZINC001106183630	873075810	/nfs/dbraw/zinc/07/58/10/873075810.db2.gz	GROSXJWZBLEHEX-BRWVUGGUSA-N	1	0	356.507	1.297	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1	ZINC000992893056	873096832	/nfs/dbraw/zinc/09/68/32/873096832.db2.gz	UDCWQHMXSMEAQL-CNNODRBYSA-N	1	0	371.525	1.827	20	30		FDEDRO
CC(C)(C(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1)[NH+]1CCCC1	ZINC000992900556	873150822	/nfs/dbraw/zinc/15/08/22/873150822.db2.gz	YITJTYMTMYIMRH-LAUBAEHRSA-N	1	0	357.498	1.581	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCOCC2)[C@H](C)C1	ZINC001106189886	873240766	/nfs/dbraw/zinc/24/07/66/873240766.db2.gz	IKOWABYHCZWGJI-HZPDHXFCSA-N	1	0	351.491	1.322	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[C@@H](C)O2)CC1	ZINC001003365886	873244821	/nfs/dbraw/zinc/24/48/21/873244821.db2.gz	QYJJIRHLEVRFKZ-RXABAKJHSA-N	1	0	373.497	1.147	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)Nc2ncccn2)[C@H](C)C1	ZINC001106193821	873274580	/nfs/dbraw/zinc/27/45/80/873274580.db2.gz	VQFQUFTUHATROR-OWCLPIDISA-N	1	0	359.474	1.844	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCOC)C2)C[C@H]1C	ZINC001106198514	873602293	/nfs/dbraw/zinc/60/22/93/873602293.db2.gz	DADKJTBSXWOISW-IXDOHACOSA-N	1	0	351.491	1.132	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2)CC1	ZINC000922215772	873895663	/nfs/dbraw/zinc/89/56/63/873895663.db2.gz	QHSAYLSDXRERMO-QGZVFWFLSA-N	1	0	358.490	1.094	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](Cc2ccnc(N(C)C)c2)CC1	ZINC001003650462	873922520	/nfs/dbraw/zinc/92/25/20/873922520.db2.gz	WCWQEYNNHIFFMB-MSOLQXFVSA-N	1	0	358.486	1.819	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2scnc2CC)C[C@H]1C	ZINC001106220201	873943632	/nfs/dbraw/zinc/94/36/32/873943632.db2.gz	MANLHCYIRSVMHR-HZSPNIEDSA-N	1	0	362.499	1.141	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C(F)F)nc2)C[C@H]1C	ZINC001106224174	873973975	/nfs/dbraw/zinc/97/39/75/873973975.db2.gz	UDPOZWZOTQQEEX-TZMCWYRMSA-N	1	0	364.396	1.066	20	30		FDEDRO
C=CCN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3C[C@H]3c3cccnc3)CC2)C1=O	ZINC001003666794	873975250	/nfs/dbraw/zinc/97/52/50/873975250.db2.gz	DIRBGCSLKFBJIK-OTWHNJEPSA-N	1	0	368.481	1.553	20	30		FDEDRO
N#Cc1cccc([C@@H]2CN(C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CCO2)c1	ZINC000761683529	873985261	/nfs/dbraw/zinc/98/52/61/873985261.db2.gz	VPJWHHGMGFYXNZ-QYZOEREBSA-N	1	0	370.453	1.504	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]CC(=O)N(CC)C3CC3)[C@H](C)C2)CCC1	ZINC001106236224	874062160	/nfs/dbraw/zinc/06/21/60/874062160.db2.gz	GVUXKZOATKRNLU-IAGOWNOFSA-N	1	0	359.514	1.875	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3nnc4n3CCOC4)[C@H](C)C2)CCC1	ZINC001106236376	874062521	/nfs/dbraw/zinc/06/25/21/874062521.db2.gz	MWYSQPLWKJQHIG-HZPDHXFCSA-N	1	0	371.485	1.186	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1C	ZINC001106243121	874096827	/nfs/dbraw/zinc/09/68/27/874096827.db2.gz	VXAMSQCUXOSYRS-RAIGVLPGSA-N	1	0	358.280	1.105	20	30		FDEDRO
Cc1nc2ccc(C(=O)N3C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C3)cc2o1	ZINC001106282111	874414853	/nfs/dbraw/zinc/41/48/53/874414853.db2.gz	UTGHDOYAUQVVJM-IUODEOHRSA-N	1	0	369.425	1.074	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3cc(C)nc3C2)C[C@H]1C	ZINC001106317742	874759161	/nfs/dbraw/zinc/75/91/61/874759161.db2.gz	RBMCNKGCDZFLAE-BPQIPLTHSA-N	1	0	358.486	1.088	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C3(COCC)CC3)C[C@H]2C)C1=O	ZINC001106339719	874834423	/nfs/dbraw/zinc/83/44/23/874834423.db2.gz	ZVFMHWHLMLUWPP-BRWVUGGUSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c3c[nH]nc3ccc2C)C[C@H]1C	ZINC001106347305	874884014	/nfs/dbraw/zinc/88/40/14/874884014.db2.gz	VZVHMDMRZPWZCB-HUUCEWRRSA-N	1	0	369.469	1.471	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccnc(C3CC3)c2)C[C@H]1C	ZINC001106379747	874994749	/nfs/dbraw/zinc/99/47/49/874994749.db2.gz	NWLBFESVFJSMBU-RVKKMQEKSA-N	1	0	368.481	1.395	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2cnc3c(c2)NC(=O)CO3)C[C@H]1C	ZINC001106382091	875011057	/nfs/dbraw/zinc/01/10/57/875011057.db2.gz	IGSHAIGEAZPLHH-UKRRQHHQSA-N	1	0	358.442	1.676	20	30		FDEDRO
C[C@@]12CN(C(=O)C#CC3CC3)C[C@@H]1CN(C(=O)C13CCC[NH+]1CCC3)C2	ZINC000993152481	875013819	/nfs/dbraw/zinc/01/38/19/875013819.db2.gz	SYZZXQXYWCYNQP-XLIONFOSSA-N	1	0	355.482	1.335	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@]2(C)C1	ZINC000993155677	875080846	/nfs/dbraw/zinc/08/08/46/875080846.db2.gz	BRONDEQBPAZQAP-LPMFXHHGSA-N	1	0	355.442	1.228	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](NC(C)=O)C2CCCC2)C[C@H]1C	ZINC001106403049	875128730	/nfs/dbraw/zinc/12/87/30/875128730.db2.gz	MOOYYPPLIQRCNJ-LZQZEXGQSA-N	1	0	363.502	1.015	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@]3(C)C2)C1	ZINC000993159921	875165296	/nfs/dbraw/zinc/16/52/96/875165296.db2.gz	QEEPYIROZRQKCR-PTSWNOGYSA-N	1	0	369.469	1.149	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ncc(Cl)s2)C[C@H]1C	ZINC001106420621	875208007	/nfs/dbraw/zinc/20/80/07/875208007.db2.gz	NNLXUDKTRXZHAA-IJLUTSLNSA-N	1	0	370.906	1.785	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(Br)c2)C[C@H]1C	ZINC001106447768	875345785	/nfs/dbraw/zinc/34/57/85/875345785.db2.gz	VZJXWLHOOMSQLO-TZMCWYRMSA-N	1	0	368.275	1.725	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](NC(=O)COC)C(C)C)C2	ZINC001112542567	882936961	/nfs/dbraw/zinc/93/69/61/882936961.db2.gz	GBNRRIBPMXCCQH-QRFRQXIXSA-N	1	0	363.502	1.015	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]Cc2nc(C)no2)[C@H](C)C1	ZINC001106482955	875598651	/nfs/dbraw/zinc/59/86/51/875598651.db2.gz	PXPBEUAKCSBHEX-SIIHOXLZSA-N	1	0	350.463	1.791	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cn(C(C)C)cn2)C[C@H]1C	ZINC001106479897	875606540	/nfs/dbraw/zinc/60/65/40/875606540.db2.gz	WRLQFOPNHQDNFM-BZUAXINKSA-N	1	0	361.490	1.452	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2c(C)nn(C)c2Cl)C[C@H]1C	ZINC001106497630	875701231	/nfs/dbraw/zinc/70/12/31/875701231.db2.gz	XYNVDFQHUHSMOY-TZMCWYRMSA-N	1	0	354.882	1.882	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NCCCOCC)[C@H](C)C1	ZINC001106530331	875861578	/nfs/dbraw/zinc/86/15/78/875861578.db2.gz	AHNIRIBLVSBMKS-BRWVUGGUSA-N	1	0	367.534	1.814	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCNC(=O)C2N=CC=CC2=O)CCN1c1cc[nH+]cc1	ZINC000915281930	875931274	/nfs/dbraw/zinc/93/12/74/875931274.db2.gz	BJWHWKKGMVLQCS-IWHJNQCMSA-N	1	0	369.425	1.035	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCOCC2)[C@H](C)C1	ZINC001106558178	875950820	/nfs/dbraw/zinc/95/08/20/875950820.db2.gz	RPJBPRDGVWKGPB-GVDBMIGSSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC2CC2)[C@H](C)C1	ZINC001106567225	875976274	/nfs/dbraw/zinc/97/62/74/875976274.db2.gz	AKZRYPRVVSTEMC-QLFBSQMISA-N	1	0	364.490	1.261	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2c(C)cc(C)[nH]c2=O)C[C@H]1C	ZINC001106573567	875990789	/nfs/dbraw/zinc/99/07/89/875990789.db2.gz	YINYZGVKIOEYQB-NVXWUHKLSA-N	1	0	361.486	1.833	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C(C)C)C[C@H]1C	ZINC001106574617	875993786	/nfs/dbraw/zinc/99/37/86/875993786.db2.gz	MPUHQRVKZRMUPV-ZACQAIPSSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2nc(Cl)cs2)C[C@H]1C	ZINC001106581608	876026861	/nfs/dbraw/zinc/02/68/61/876026861.db2.gz	JANOXWCEZOYRAV-IJLUTSLNSA-N	1	0	370.906	1.785	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(F)c(Cl)c2)C[C@H]1C	ZINC001106597741	876101362	/nfs/dbraw/zinc/10/13/62/876101362.db2.gz	LENWKCJGOCGIJM-TZMCWYRMSA-N	1	0	365.836	1.526	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)CC)C[C@H]1C	ZINC001106605886	876165542	/nfs/dbraw/zinc/16/55/42/876165542.db2.gz	ZXMDZZYQOMIUGZ-HZPDHXFCSA-N	1	0	350.507	1.869	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2cccnc2)[C@H](C)C1	ZINC001106606384	876168304	/nfs/dbraw/zinc/16/83/04/876168304.db2.gz	HJTAZGFCMYBPQY-SJLPKXTDSA-N	1	0	358.486	1.738	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+]Cc2nc(CCOC)no2)[C@H](C)C1	ZINC001106606984	876171935	/nfs/dbraw/zinc/17/19/35/876171935.db2.gz	PVAHXPRRSTVAJB-HUUCEWRRSA-N	1	0	350.463	1.799	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2cc(C)cc(C)c2)C[C@H]1C	ZINC001106617898	876231501	/nfs/dbraw/zinc/23/15/01/876231501.db2.gz	WLARTVPXHXZXEJ-IEBWSBKVSA-N	1	0	355.482	1.279	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](C[NH2+]CCN2CCCS2(=O)=O)[C@H](C)C1	ZINC001106629220	876276399	/nfs/dbraw/zinc/27/63/99/876276399.db2.gz	FSMKYMBLFLMCMO-NUJGCVRESA-N	1	0	371.547	1.308	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H](C[NH2+]C[C@@H](O)Cn3cccn3)[C@H](C)C2)CC1	ZINC001106629231	876277644	/nfs/dbraw/zinc/27/76/44/876277644.db2.gz	GRIINQRVEPPIRB-KZNAEPCWSA-N	1	0	360.502	1.675	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCOC)[C@H](C)C1	ZINC001106629427	876277792	/nfs/dbraw/zinc/27/77/92/876277792.db2.gz	KYQDUUANFRXYMT-MDZRGWNJSA-N	1	0	353.507	1.426	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)NCC=C)[C@H](C)C2)c1	ZINC001106650503	876388042	/nfs/dbraw/zinc/38/80/42/876388042.db2.gz	PWYPKEOMSMOJMQ-IIDMSEBBSA-N	1	0	354.454	1.051	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3occc3s2)C[C@H]1C	ZINC001106661819	876463533	/nfs/dbraw/zinc/46/35/33/876463533.db2.gz	UKXZPWDPFRTCSD-CHWSQXEVSA-N	1	0	359.451	1.541	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(CF)CCC2)C[C@H]1C	ZINC001106678650	876530713	/nfs/dbraw/zinc/53/07/13/876530713.db2.gz	XRKHRHCMXBRQOO-HZPDHXFCSA-N	1	0	366.481	1.572	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C(C)C)n[nH]2)C[C@H]1C	ZINC001106687165	876564927	/nfs/dbraw/zinc/56/49/27/876564927.db2.gz	NWMAZWHGTSVEFH-QLFBSQMISA-N	1	0	361.490	1.522	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3cc[nH]c32)C[C@H]1C	ZINC001106687577	876565642	/nfs/dbraw/zinc/56/56/42/876565642.db2.gz	VYUREAUTYPIZJF-GDBMZVCRSA-N	1	0	354.454	1.768	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)c2cccc(C)c2)C[C@H]1C	ZINC001106710901	876899007	/nfs/dbraw/zinc/89/90/07/876899007.db2.gz	BORSKWSRNVMUGI-ZHALLVOQSA-N	1	0	355.482	1.532	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)c2cccc(C)c2)C[C@H]1C	ZINC001106710902	876899210	/nfs/dbraw/zinc/89/92/10/876899210.db2.gz	BORSKWSRNVMUGI-ZIFCJYIRSA-N	1	0	355.482	1.532	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)CC=C)C[C@H]1C	ZINC001106708826	876918098	/nfs/dbraw/zinc/91/80/98/876918098.db2.gz	LKHHXWHNTKSSSL-HUUCEWRRSA-N	1	0	364.490	1.285	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2cccs2)C[C@H]1C	ZINC001106715262	876928336	/nfs/dbraw/zinc/92/83/36/876928336.db2.gz	DCHPKDBTEGNKKE-BZUAXINKSA-N	1	0	363.527	1.913	20	30		FDEDRO
COCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1	ZINC001106726259	876991121	/nfs/dbraw/zinc/99/11/21/876991121.db2.gz	IDMLOPNMYISTKK-WSTZPKSXSA-N	1	0	358.482	1.774	20	30		FDEDRO
C#CCN(C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)C1CC[NH+](C)CC1	ZINC000922267224	877199391	/nfs/dbraw/zinc/19/93/91/877199391.db2.gz	HCYWIBDVZFEPQK-CQSZACIVSA-N	1	0	352.479	1.639	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2cnsn2)[C@H](C)C1	ZINC001106733097	877256284	/nfs/dbraw/zinc/25/62/84/877256284.db2.gz	GOEFODXTKTZFFD-XPKDYRNWSA-N	1	0	365.503	1.193	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2nocc2C)[C@H](C)C1	ZINC001106733580	877272062	/nfs/dbraw/zinc/27/20/62/877272062.db2.gz	AKKKULKYHGMHKZ-XYPHTWIQSA-N	1	0	362.474	1.638	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2cnoc2C)[C@H](C)C1	ZINC001106734427	877283431	/nfs/dbraw/zinc/28/34/31/877283431.db2.gz	ZQFXVCMWJLNJTA-FSPWUOQZSA-N	1	0	362.474	1.638	20	30		FDEDRO
C[NH+](C)Cc1ccsc1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC#N)C1	ZINC001099259576	877404765	/nfs/dbraw/zinc/40/47/65/877404765.db2.gz	NEJHKNJRXDVPFZ-VXGBXAGGSA-N	1	0	360.405	1.926	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3coc4c3C(=O)NCCC4)[C@H]2C1	ZINC001083149665	912242873	/nfs/dbraw/zinc/24/28/73/912242873.db2.gz	FVAVDEJIPXBFMI-GOEBONIOSA-N	1	0	359.426	1.057	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]CCOCC(F)F)[C@H](C)C2)nn1	ZINC001106749841	877504582	/nfs/dbraw/zinc/50/45/82/877504582.db2.gz	HIIUPCZQUICQDY-ZIAGYGMSSA-N	1	0	371.432	1.434	20	30		FDEDRO
CC(=O)NCC(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1	ZINC001106755012	877549922	/nfs/dbraw/zinc/54/99/22/877549922.db2.gz	KWGHRCZOYDBXQX-DNVCBOLYSA-N	1	0	370.497	1.905	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCCCN2C(C)=O)C[C@H]1C	ZINC001106755810	877569612	/nfs/dbraw/zinc/56/96/12/877569612.db2.gz	BDFAHOVHPKQYLF-BHIYHBOVSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CC1(CC(=O)N2C[C@@H](C[NH2+]Cc3nnnn3C)[C@H](C)C2)CCCCC1	ZINC001106756663	877577069	/nfs/dbraw/zinc/57/70/69/877577069.db2.gz	DCRWHEYPPZXGQN-HZPDHXFCSA-N	1	0	360.506	1.921	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccn3ccnc23)C[C@H]1C	ZINC001106758631	877591288	/nfs/dbraw/zinc/59/12/88/877591288.db2.gz	CJLMHQFAVWXKOB-OWCLPIDISA-N	1	0	369.469	1.323	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)C[C@@H](C)O3)C[C@H]1C	ZINC001106765317	877634501	/nfs/dbraw/zinc/63/45/01/877634501.db2.gz	WMYLVQGRNMRGBD-IIDMSEBBSA-N	1	0	371.481	1.610	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)c2cc(C)oc2C)C[C@H]1C	ZINC001106766372	877667556	/nfs/dbraw/zinc/66/75/56/877667556.db2.gz	GVXTXDFTDUBBKA-FRFSOERESA-N	1	0	359.470	1.433	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CNC(=O)CCC(C)C)C[C@H]1C	ZINC001106774040	877725381	/nfs/dbraw/zinc/72/53/81/877725381.db2.gz	VRTLYLBVEMJUDX-IAGOWNOFSA-N	1	0	353.507	1.426	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)c1ccccc1F	ZINC001106776054	877753149	/nfs/dbraw/zinc/75/31/49/877753149.db2.gz	BVMHGMKVXVUBRF-RBSFLKMASA-N	1	0	360.433	1.253	20	30		FDEDRO
C=CCc1cc(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)cc(OC)c1OC	ZINC000673515042	877757213	/nfs/dbraw/zinc/75/72/13/877757213.db2.gz	ASJKVQNIRIJNSQ-DLBZAZTESA-N	1	0	360.454	1.713	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3cn4cc(F)ccc4n3)[C@H]2C1	ZINC001083155704	912277481	/nfs/dbraw/zinc/27/74/81/912277481.db2.gz	ILSGRXPNVJMLQI-DLBZAZTESA-N	1	0	358.417	1.504	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnon2)C[C@H]1C	ZINC001106786157	877909102	/nfs/dbraw/zinc/90/91/02/877909102.db2.gz	MZOWCCSEVXRAGA-RBSFLKMASA-N	1	0	363.462	1.180	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](c2cccnc2)C(C)C)C[C@H]1C	ZINC001106801874	878037856	/nfs/dbraw/zinc/03/78/56/878037856.db2.gz	HARNXKFSWQFPLN-POAQFYNOSA-N	1	0	370.497	1.255	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccnc4[nH]c(CC)nc43)[C@H]2C1	ZINC001083152246	912303150	/nfs/dbraw/zinc/30/31/50/912303150.db2.gz	UKGOSUBEYUGTDZ-LSDHHAIUSA-N	1	0	353.426	1.069	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@]2(C)C1	ZINC000993434499	878151335	/nfs/dbraw/zinc/15/13/35/878151335.db2.gz	AWQKHBLDNZTFKP-DKICVRJWSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3coc(=O)c4ccccc34)[C@H]2C1	ZINC001083160752	912339964	/nfs/dbraw/zinc/33/99/64/912339964.db2.gz	RDEYWSRQJFVWOA-ZWKOTPCHSA-N	1	0	354.406	1.894	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccncc2OCCC[NH+](C)C)CC1	ZINC000922501902	878391898	/nfs/dbraw/zinc/39/18/98/878391898.db2.gz	MPJGKNCSKXNCRA-UHFFFAOYSA-N	1	0	373.501	1.309	20	30		FDEDRO
C#C[C@H](NC(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)C(C)C	ZINC000922521056	878444216	/nfs/dbraw/zinc/44/42/16/878444216.db2.gz	RSWPFGGCVOXJRY-INIZCTEOSA-N	1	0	366.506	1.933	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)CCOC)C[C@H]1C	ZINC001106825560	878643421	/nfs/dbraw/zinc/64/34/21/878643421.db2.gz	XUMVQOLETSGMMZ-BZUAXINKSA-N	1	0	353.507	1.424	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)C(C)C	ZINC000428914578	878825449	/nfs/dbraw/zinc/82/54/49/878825449.db2.gz	MSRLHCWRCKCAQB-BSDSXHPESA-N	1	0	362.518	1.994	20	30		FDEDRO
C#CCC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@@H]1C[C@H]1C1CCC1)CC2	ZINC001128053746	912396129	/nfs/dbraw/zinc/39/61/29/912396129.db2.gz	FXXYQLBOSYVGLE-YESZJQIVSA-N	1	0	355.486	1.648	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCO[C@@H]3C[N@H+](CC[C@@H]4CCCO4)C[C@@H]32)cc1	ZINC001083160259	912416376	/nfs/dbraw/zinc/41/63/76/912416376.db2.gz	RAYFLBQPEPNUMW-SLFFLAALSA-N	1	0	354.450	1.762	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(C#N)c2)C1	ZINC001004351419	879191790	/nfs/dbraw/zinc/19/17/90/879191790.db2.gz	BSVQTTNICJLDCT-DXEWXGHRSA-N	1	0	355.442	1.090	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)CC1	ZINC000922761981	879202117	/nfs/dbraw/zinc/20/21/17/879202117.db2.gz	GOHWYRMMYIORAJ-HOTGVXAUSA-N	1	0	368.481	1.750	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1Cc1ccc2c(c1)oc(=O)n2C	ZINC000509049248	879549048	/nfs/dbraw/zinc/54/90/48/879549048.db2.gz	RHANKMHBAPTSGD-ZDUSSCGKSA-N	1	0	364.409	1.504	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1ccc2c(c1)oc(=O)n2C	ZINC000509049247	879549317	/nfs/dbraw/zinc/54/93/17/879549317.db2.gz	RHANKMHBAPTSGD-CYBMUJFWSA-N	1	0	364.409	1.504	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3cccnc3s2)C[C@H]1C	ZINC001106833737	879748775	/nfs/dbraw/zinc/74/87/75/879748775.db2.gz	SZCAJNODBWBSOE-UKRRQHHQSA-N	1	0	370.478	1.343	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC000993881061	879954375	/nfs/dbraw/zinc/95/43/75/879954375.db2.gz	YKXMVHXKQIDEEJ-YQFWSFKMSA-N	1	0	371.485	1.441	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CC3CCC(F)(F)CC3)C[C@@H]2O)nn1	ZINC001083843309	879972728	/nfs/dbraw/zinc/97/27/28/879972728.db2.gz	BCJZJZVGKWVBEO-HIFRSBDPSA-N	1	0	369.416	1.065	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC000993907720	880111422	/nfs/dbraw/zinc/11/14/22/880111422.db2.gz	IWJRCFPIGIKLEL-SUYBPPKGSA-N	1	0	357.458	1.051	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)C3CCN(CC(F)F)CC3)[C@H]2C1	ZINC001083176820	912545653	/nfs/dbraw/zinc/54/56/53/912545653.db2.gz	QTGIKRLPGHVMHG-DLBZAZTESA-N	1	0	371.472	1.841	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H](C)C2)cc1	ZINC000994085567	880629985	/nfs/dbraw/zinc/62/99/85/880629985.db2.gz	BYDXQHBFVMLWTF-XNFNUYLZSA-N	1	0	367.493	1.832	20	30		FDEDRO
CCc1nn(C)c(Cl)c1C(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1	ZINC001106847612	881035990	/nfs/dbraw/zinc/03/59/90/881035990.db2.gz	YBOMMDHDVGWAGY-ZIAGYGMSSA-N	1	0	366.893	1.583	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)COCCCOC)C[C@H]1C	ZINC001106850197	881091828	/nfs/dbraw/zinc/09/18/28/881091828.db2.gz	RLNQUKOZQSCPQZ-TZMCWYRMSA-N	1	0	363.296	1.632	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH2+]CC#Cc3ccccc3)[C@H](C)C2)C1	ZINC001106855194	881106455	/nfs/dbraw/zinc/10/64/55/881106455.db2.gz	WSIHOVCGZMXRQT-QWFCFKBJSA-N	1	0	367.493	1.591	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)nc1	ZINC001004741686	881185161	/nfs/dbraw/zinc/18/51/61/881185161.db2.gz	HEJAMGVCQVTUPP-DZLVSBGCSA-N	1	0	366.465	1.265	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)C1=CC[N@H+](C)CC1	ZINC000272734435	881189449	/nfs/dbraw/zinc/18/94/49/881189449.db2.gz	CBKRDFOYWWWYKY-HNNXBMFYSA-N	1	0	354.458	1.435	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C2CC2)[NH+](C)C)cn1	ZINC001004746261	881199618	/nfs/dbraw/zinc/19/96/18/881199618.db2.gz	BIPCSVWMHCAUQE-YRXWBPOGSA-N	1	0	366.465	1.265	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3ccccc3C)C[C@@H]2O)nn1	ZINC001083846864	881207793	/nfs/dbraw/zinc/20/77/93/881207793.db2.gz	WUZXMAJRQFQXOJ-SUMDDJOVSA-N	1	0	369.469	1.699	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3CC)C[C@@H]2O)nn1	ZINC001083846917	881208629	/nfs/dbraw/zinc/20/86/29/881208629.db2.gz	ZYTVZVWGIFDBFI-MJGOQNOKSA-N	1	0	369.469	1.392	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)NC(=O)CC(C)(C)C)C[C@H]1C	ZINC001106861848	881233856	/nfs/dbraw/zinc/23/38/56/881233856.db2.gz	JUYKREORQXDKJG-IXDOHACOSA-N	1	0	367.534	1.814	20	30		FDEDRO
CCNC(=O)COc1ccc(C=NNCC[NH+]2CCCCC2)cc1OC	ZINC000915974217	881264935	/nfs/dbraw/zinc/26/49/35/881264935.db2.gz	QHPAANNEPOYHCX-UHFFFAOYSA-N	1	0	362.474	1.620	20	30		FDEDRO
C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H]1CC[N@@H+](CCOC)C1	ZINC000673740333	881299528	/nfs/dbraw/zinc/29/95/28/881299528.db2.gz	VPPYOJUYEIEDMG-INIZCTEOSA-N	1	0	370.453	1.888	20	30		FDEDRO
CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)CCOc1ccccc1C#N	ZINC000272756673	881300086	/nfs/dbraw/zinc/30/00/86/881300086.db2.gz	NZZSIBPKIAARAJ-MRXNPFEDSA-N	1	0	360.458	1.419	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)CC1	ZINC000917141344	883127956	/nfs/dbraw/zinc/12/79/56/883127956.db2.gz	BTZXJSKTXFKDJU-CQSZACIVSA-N	1	0	354.451	1.487	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC[NH+]([C@H]2CCCN(C)C2=O)CC1	ZINC001005405216	883236310	/nfs/dbraw/zinc/23/63/10/883236310.db2.gz	AFWYIJJRPRSNLF-SQNIBIBYSA-N	1	0	363.502	1.511	20	30		FDEDRO
C#CCN(C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C(C)C	ZINC000917477246	883451425	/nfs/dbraw/zinc/45/14/25/883451425.db2.gz	NZAGJHIZZWFDTN-IBGZPJMESA-N	1	0	370.497	1.937	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1	ZINC000917536701	883507921	/nfs/dbraw/zinc/50/79/21/883507921.db2.gz	QXTYCGGYQAVMPQ-UHFFFAOYSA-N	1	0	371.890	1.725	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1	ZINC000917527223	883521169	/nfs/dbraw/zinc/52/11/69/883521169.db2.gz	CAVMDOFRXLWWFN-UHFFFAOYSA-N	1	0	371.890	1.725	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCCNc2ccnc(C#N)n2)CC[N@@H+]1C	ZINC001090164316	883539480	/nfs/dbraw/zinc/53/94/80/883539480.db2.gz	TYUSUQXCUVBCFY-OWCLPIDISA-N	1	0	358.490	1.587	20	30		FDEDRO
C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](CC(C)C)CC1	ZINC000282290195	912722130	/nfs/dbraw/zinc/72/21/30/912722130.db2.gz	NTKJAIUGXWDSFF-UHFFFAOYSA-N	1	0	369.473	1.889	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](OC)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001128816943	883733084	/nfs/dbraw/zinc/73/30/84/883733084.db2.gz	SUVBTALSIXNAQO-QYZOEREBSA-N	1	0	369.469	1.974	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](CCCc2cccc(F)c2)C[C@@H]1n1ccnn1	ZINC001128829118	883751269	/nfs/dbraw/zinc/75/12/69/883751269.db2.gz	BTGDWDRYIIDRRI-OLMNPRSZSA-N	1	0	370.432	1.551	20	30		FDEDRO
CC(C)CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](n2ccnn2)C1	ZINC001128877963	883914812	/nfs/dbraw/zinc/91/48/12/883914812.db2.gz	KVBJUBSEKNHFTQ-SJORKVTESA-N	1	0	355.446	1.569	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](n2ccnn2)C1	ZINC001128878505	883920254	/nfs/dbraw/zinc/92/02/54/883920254.db2.gz	UMCWKOYAPTUYCP-XKQJLSEDSA-N	1	0	353.430	1.488	20	30		FDEDRO
C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCO[C@H]2c2nccn2C)CC1	ZINC001005526464	883931333	/nfs/dbraw/zinc/93/13/33/883931333.db2.gz	RWWBKMFGDYCYKR-QZTJIDSGSA-N	1	0	358.486	1.834	20	30		FDEDRO
C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1	ZINC001108123629	884082817	/nfs/dbraw/zinc/08/28/17/884082817.db2.gz	LGDBOCTZTCFAPH-OLMNPRSZSA-N	1	0	364.453	1.610	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)[N@@H+]1CCC[C@H](C)C1	ZINC000245581574	884190236	/nfs/dbraw/zinc/19/02/36/884190236.db2.gz	HMXHFFTXZFQJLQ-UONOGXRCSA-N	1	0	374.489	1.685	20	30		FDEDRO
C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1	ZINC001034401226	884306651	/nfs/dbraw/zinc/30/66/51/884306651.db2.gz	ZUTSCNWNUWZKKJ-FGTMMUONSA-N	1	0	361.486	1.150	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]2C)c1	ZINC000994568708	884347462	/nfs/dbraw/zinc/34/74/62/884347462.db2.gz	ZYBXSCVXRUMVOS-ZTFGCOKTSA-N	1	0	356.470	1.227	20	30		FDEDRO
C=CC(C)(C)C(=O)NC[C@H]1COCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001061755643	884445701	/nfs/dbraw/zinc/44/57/01/884445701.db2.gz	NUWIAMFJBHJVTG-HRCADAONSA-N	1	0	351.491	1.273	20	30		FDEDRO
Cc1cc(C)cc(C[N@@H+]2C[C@@H](NC(=O)C#CC3CC3)[C@@H](n3ccnn3)C2)c1	ZINC001128966808	884481669	/nfs/dbraw/zinc/48/16/69/884481669.db2.gz	ORAMQTKLTDNAQI-UXHICEINSA-N	1	0	363.465	1.850	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C)C[C@@H]1n1ccnn1	ZINC001128962731	884488698	/nfs/dbraw/zinc/48/86/98/884488698.db2.gz	ZVTNBRAKOSMRRX-WSTZPKSXSA-N	1	0	369.469	1.455	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCCN(C)C2=O)CC1	ZINC001034648426	884615600	/nfs/dbraw/zinc/61/56/00/884615600.db2.gz	HGZPQXBMLBNXMZ-ZKXLYKBJSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCCOC)C2)nn1	ZINC001112543095	884738181	/nfs/dbraw/zinc/73/81/81/884738181.db2.gz	IQWDYKUZHBNGJY-LPHOPBHVSA-N	1	0	361.490	1.723	20	30		FDEDRO
CCc1onc(C)c1CN1C[C@@H](NC(=O)C#CC2CC2)[C@@H](n2ccnn2)C1	ZINC001128985578	884740784	/nfs/dbraw/zinc/74/07/84/884740784.db2.gz	QLNXRHBKIWPODM-SJORKVTESA-N	1	0	368.441	1.092	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)C1	ZINC001077550976	884880178	/nfs/dbraw/zinc/88/01/78/884880178.db2.gz	FWMWNBIRSONMFI-ARFHVFGLSA-N	1	0	351.491	1.151	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(OC)ncn2)[C@@H](n2ccnn2)C1	ZINC001128993501	884886886	/nfs/dbraw/zinc/88/68/86/884886886.db2.gz	AZDPHXPHNMKNFG-IMJJTQAJSA-N	1	0	371.445	1.087	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)CC2)cc1F	ZINC001034736377	884930111	/nfs/dbraw/zinc/93/01/11/884930111.db2.gz	XIKYJOOZQPRHRK-FPCVCCKLSA-N	1	0	358.417	1.336	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cn3c(n2)CCC3)[C@@H](n2ccnn2)C1	ZINC001128999271	884950841	/nfs/dbraw/zinc/95/08/41/884950841.db2.gz	UNQVAXUGTWPTNG-UXLLHSPISA-N	1	0	369.473	1.431	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCN2CCNC2=O)CC1	ZINC001034753140	884963405	/nfs/dbraw/zinc/96/34/05/884963405.db2.gz	ADODVIIXBWEEJD-QAETUUGQSA-N	1	0	364.490	1.010	20	30		FDEDRO
C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@@H](C)N1CC#N	ZINC000918861599	884974144	/nfs/dbraw/zinc/97/41/44/884974144.db2.gz	NRTOXHINNWZWOD-NUJGCVRESA-N	1	0	363.506	1.258	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCOc2ccccc21)N1CCN(c2ncccn2)CC1	ZINC000262809632	885225528	/nfs/dbraw/zinc/22/55/28/885225528.db2.gz	UUAINVDNBOKWOY-INIZCTEOSA-N	1	0	366.469	1.740	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccnc3[nH]cnc32)[C@@H](n2ccnn2)C1	ZINC001129020201	885251576	/nfs/dbraw/zinc/25/15/76/885251576.db2.gz	OMYCFVGKBUUBOB-CABCVRRESA-N	1	0	366.429	1.171	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@@H]2n2ccnn2)CCC1	ZINC001129049171	885537528	/nfs/dbraw/zinc/53/75/28/885537528.db2.gz	QQVOQKDJKJWUMD-KSZLIROESA-N	1	0	371.485	1.382	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1snnc1C	ZINC001035076155	885573888	/nfs/dbraw/zinc/57/38/88/885573888.db2.gz	ZRCJYHFBZPGDFZ-YCPHGPKFSA-N	1	0	350.488	1.908	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)C/C=C/c2cccc(F)c2)[C@@H](n2ccnn2)C1	ZINC001129052388	885578337	/nfs/dbraw/zinc/57/83/37/885578337.db2.gz	DCSHNEIDPJHPFN-BJAZZSIWSA-N	1	0	367.428	1.886	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC/C=C\CC)C[C@@H]1n1ccnn1	ZINC001129052361	885578629	/nfs/dbraw/zinc/57/86/29/885578629.db2.gz	CMWRTRBQSPAOFR-ITVKQWQRSA-N	1	0	370.501	1.074	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)c2c(C)n[nH]c2C)[C@@H](n2ccnn2)C1	ZINC001129079872	885686649	/nfs/dbraw/zinc/68/66/49/885686649.db2.gz	KQRDRRACLULUPK-XKQJLSEDSA-N	1	0	369.473	1.177	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCn3cc(Cl)cn3)[C@H](C)C2)cn1	ZINC001106894273	885742392	/nfs/dbraw/zinc/74/23/92/885742392.db2.gz	IGWOIVUFUHFPMS-GDBMZVCRSA-N	1	0	371.872	1.911	20	30		FDEDRO
C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)CC2	ZINC001035206499	885746095	/nfs/dbraw/zinc/74/60/95/885746095.db2.gz	IDVIPNNBAJQXCW-SJORKVTESA-N	1	0	363.502	1.690	20	30		FDEDRO
CO[C@@H]1C[N@H+](C[C@@H](O)CCc2ccccc2)C[C@H]1NC(=O)C#CC(C)C	ZINC001212240968	885760016	/nfs/dbraw/zinc/76/00/16/885760016.db2.gz	GPYXZCOHTAMKPM-XUVXKRRUSA-N	1	0	358.482	1.455	20	30		FDEDRO
C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCO[C@H]1c1nccn1C)CC2	ZINC001035195196	885762725	/nfs/dbraw/zinc/76/27/25/885762725.db2.gz	RSDUIJSDYKPIKK-QZTJIDSGSA-N	1	0	370.497	1.836	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CCc2ccc(Cl)cc2)[C@@H](n2ccnn2)C1	ZINC001129139521	885842677	/nfs/dbraw/zinc/84/26/77/885842677.db2.gz	LPKMKZRLFSCPAC-MSOLQXFVSA-N	1	0	371.872	1.929	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc(OC)ccn2)[C@@H](n2ccnn2)C1	ZINC001129144779	885867859	/nfs/dbraw/zinc/86/78/59/885867859.db2.gz	SPPNEHLPHQKMFT-SJORKVTESA-N	1	0	356.430	1.303	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CCCC(=O)NC(C)C)C[C@H]1C	ZINC001106895289	885873914	/nfs/dbraw/zinc/87/39/14/885873914.db2.gz	JWVRDSGMNKETST-IAGOWNOFSA-N	1	0	353.507	1.568	20	30		FDEDRO
C#CCCCCCC(=O)N[C@@H]1C[N@@H+](CCCOCC)C[C@@H]1n1ccnn1	ZINC001129180383	886023038	/nfs/dbraw/zinc/02/30/38/886023038.db2.gz	QVAYWJADMTZXAD-MSOLQXFVSA-N	1	0	361.490	1.630	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1n1ccnn1	ZINC001129184414	886079718	/nfs/dbraw/zinc/07/97/18/886079718.db2.gz	FEMLSODQNZOYQR-NXHRZFHOSA-N	1	0	361.490	1.649	20	30		FDEDRO
C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1OCC[C@@H]1Cn1cccn1)CC2	ZINC001035816058	886471022	/nfs/dbraw/zinc/47/10/22/886471022.db2.gz	JACCUNQCHLBNSI-QZTJIDSGSA-N	1	0	358.486	1.789	20	30		FDEDRO
C#CCOCCC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001060740587	886653158	/nfs/dbraw/zinc/65/31/58/886653158.db2.gz	LODGMDOJKPHSMR-BRSBDYLESA-N	1	0	363.502	1.158	20	30		FDEDRO
CC(=O)N[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1)C(C)C	ZINC001106898464	886714461	/nfs/dbraw/zinc/71/44/61/886714461.db2.gz	GVXGEXGZGCCLSI-CDHQVMDDSA-N	1	0	370.497	1.903	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCC(C)C)C[C@@H]1n1ccnn1	ZINC001129266163	887041672	/nfs/dbraw/zinc/04/16/72/887041672.db2.gz	IEMCZOSZXHHBGP-BDXSIMOUSA-N	1	0	361.490	1.647	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)C[NH+](CC)CC	ZINC001062354086	887072290	/nfs/dbraw/zinc/07/22/90/887072290.db2.gz	QCARBIVHLHHYKB-ZACQAIPSSA-N	1	0	351.491	1.417	20	30		FDEDRO
Cn1nc(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1OC(F)F	ZINC000330257399	887233206	/nfs/dbraw/zinc/23/32/06/887233206.db2.gz	QQERLJCEKVLZSJ-NSHDSACASA-N	1	0	373.404	1.848	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1	ZINC000920893221	887276081	/nfs/dbraw/zinc/27/60/81/887276081.db2.gz	YHMRPFBQHPLQCV-MOPGFXCFSA-N	1	0	359.470	1.115	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](CCc2ccc(CC)cc2)C[C@H]1OC	ZINC001212258376	888078325	/nfs/dbraw/zinc/07/83/25/888078325.db2.gz	RANOSQKCNQWWKL-WOJBJXKFSA-N	1	0	358.482	1.647	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(COC)c2)C[C@H]1OC	ZINC001212262281	888156461	/nfs/dbraw/zinc/15/64/61/888156461.db2.gz	KDSKYKVWVWQSNN-RTBURBONSA-N	1	0	360.454	1.188	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC2CCC(F)(F)CC2)C[C@H]1OC	ZINC001212264673	888246966	/nfs/dbraw/zinc/24/69/66/888246966.db2.gz	NNRODNRXHQTIQK-NUEKZKHPSA-N	1	0	358.429	1.666	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCc2ccc(OC)cc2)C[C@H]1OC	ZINC001212264985	888274644	/nfs/dbraw/zinc/27/46/44/888274644.db2.gz	WHNSSOHCHZOXTP-KFKAGJAMSA-N	1	0	360.454	1.091	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@H]1C	ZINC001106903410	888297288	/nfs/dbraw/zinc/29/72/88/888297288.db2.gz	QOERHXMEAMOHFF-FRRDWIJNSA-N	1	0	363.424	1.950	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@@H+](C)C2CCC2)c1	ZINC001005976067	888305271	/nfs/dbraw/zinc/30/52/71/888305271.db2.gz	YLWVIQGBTTXAST-QRVBRYPASA-N	1	0	366.465	1.409	20	30		FDEDRO
C#CCN(C(=O)NCc1cnc(C(F)(F)F)nc1)C1CC[NH+](C)CC1	ZINC000923189010	888313492	/nfs/dbraw/zinc/31/34/92/888313492.db2.gz	YIWVWTCLIUBHMY-UHFFFAOYSA-N	1	0	355.364	1.734	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000938349373	888436669	/nfs/dbraw/zinc/43/66/69/888436669.db2.gz	HKYZBKPYSWWAMM-JQHSSLGASA-N	1	0	368.437	1.646	20	30		FDEDRO
Cc1cc(NC(=O)c2cnn(CC[NH+]3CCCCC3)c2)nn1CCC#N	ZINC000370343292	888582852	/nfs/dbraw/zinc/58/28/52/888582852.db2.gz	ZSPBFMHYDSAVNO-UHFFFAOYSA-N	1	0	355.446	2.040	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NC(=O)CNc2ccc(C#N)cn2)[C@H](C)C1	ZINC000497881372	888939661	/nfs/dbraw/zinc/93/96/61/888939661.db2.gz	RGFPFQLKWMNRBY-WBVHZDCISA-N	1	0	359.474	1.618	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000938614740	888949151	/nfs/dbraw/zinc/94/91/51/888949151.db2.gz	QETHWRNZAFXEQU-AYOQOUSVSA-N	1	0	353.466	1.681	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1	ZINC000923350813	888985394	/nfs/dbraw/zinc/98/53/94/888985394.db2.gz	IDOZEKIEGBPGNT-CQSZACIVSA-N	1	0	352.479	1.639	20	30		FDEDRO
Cc1ccccc1[C@@H]([C@@H](C)NC(=O)CNc1ccc(C#N)cn1)[NH+](C)C	ZINC000443402160	888993238	/nfs/dbraw/zinc/99/32/38/888993238.db2.gz	XUURWOPFHMNYHU-FOIQADDNSA-N	1	0	351.454	2.481	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](N(C)C(=O)[C@@H]3C[C@H]3C3CCC3)C2)CC1	ZINC000938669349	889071833	/nfs/dbraw/zinc/07/18/33/889071833.db2.gz	JIJHYUWKIGXRIV-HSALFYBXSA-N	1	0	371.525	1.827	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CN(CCc3ccccc3Cl)C[C@@H]2O)c1	ZINC001083765397	889072734	/nfs/dbraw/zinc/07/27/34/889072734.db2.gz	BOBVEODCCPFXPJ-MOPGFXCFSA-N	1	0	369.852	1.734	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)CN2C[C@H](OC)C[C@@]2(C)C[NH3+])c(OC)c1	ZINC000923413627	889188059	/nfs/dbraw/zinc/18/80/59/889188059.db2.gz	WOIOWFLGLUJIDM-HLIPFELVSA-N	1	0	364.486	1.602	20	30		FDEDRO
COc1ccc([C@@H]2C[NH2+]CCN2C[C@H](O)COc2ccccc2C#N)cc1	ZINC000923422528	889198965	/nfs/dbraw/zinc/19/89/65/889198965.db2.gz	HMFQAMULFZJQBJ-ICSRJNTNSA-N	1	0	367.449	1.953	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCN(C)C[C@@H]2CNC(=O)OC(C)(C)C)cn1	ZINC000763475824	889292419	/nfs/dbraw/zinc/29/24/19/889292419.db2.gz	HLZCXCAOHBWOJW-INIZCTEOSA-N	1	0	358.442	1.344	20	30		FDEDRO
C#CCN(C(=O)NC[C@@H]1CCCO[C@H]1c1cn[nH]c1)C1CC[NH+](C)CC1	ZINC000923459600	889299688	/nfs/dbraw/zinc/29/96/88/889299688.db2.gz	IIJAMADFSITATK-MAUKXSAKSA-N	1	0	359.474	1.616	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C	ZINC000923487601	889413692	/nfs/dbraw/zinc/41/36/92/889413692.db2.gz	MVVUZDHTLBVLEW-SJORKVTESA-N	1	0	351.491	1.700	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCCNCc1nnc([C@H]2CCCOC2)o1	ZINC001127609342	889741282	/nfs/dbraw/zinc/74/12/82/889741282.db2.gz	WSHIQZXOIGHHHG-ZNMIVQPWSA-N	1	0	364.446	1.151	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)C1	ZINC000923555285	889771471	/nfs/dbraw/zinc/77/14/71/889771471.db2.gz	UHCGAOOWEQYGFJ-JKSUJKDBSA-N	1	0	366.506	1.045	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H](NC(=O)C=CC(=O)Nc2ccc3n[nH]cc3c2)C1	ZINC000923564568	889854023	/nfs/dbraw/zinc/85/40/23/889854023.db2.gz	ACFQTXVHEPUUES-KXPUMZMLSA-N	1	0	351.410	1.271	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)Cc1cccs1	ZINC001127612785	889870738	/nfs/dbraw/zinc/87/07/38/889870738.db2.gz	CYVQJOPVCIIMDL-CVEARBPZSA-N	1	0	365.499	1.394	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1CN(C(=O)C[N@H+](C)C2CCC2)C1	ZINC001006164649	889945325	/nfs/dbraw/zinc/94/53/25/889945325.db2.gz	HCGNRCLTFBDJGG-FNHZYXHNSA-N	1	0	363.502	1.415	20	30		FDEDRO
Cc1nc(N2CC[C@H]([N@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)c(Cl)cc1C#N	ZINC000461943621	889955009	/nfs/dbraw/zinc/95/50/09/889955009.db2.gz	XSQNJFMLRKCWNT-ZDUSSCGKSA-N	1	0	373.848	1.704	20	30		FDEDRO
COCC#CCN1C[C@@H](NC(=O)c2cc(C)ccc2F)[C@@H](n2ccnn2)C1	ZINC001129283958	890030136	/nfs/dbraw/zinc/03/01/36/890030136.db2.gz	DZUPQFJPBZCDHM-MSOLQXFVSA-N	1	0	371.416	1.031	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1n1ccnn1	ZINC001129284672	890033296	/nfs/dbraw/zinc/03/32/96/890033296.db2.gz	USVLXNRRRWWCHS-ZACQAIPSSA-N	1	0	361.490	1.791	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCC3(C)C)C2)CC1	ZINC000939180861	890167692	/nfs/dbraw/zinc/16/76/92/890167692.db2.gz	ZMGIOZYUDWOHNL-BPQIPLTHSA-N	1	0	359.514	1.731	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CCc2csc(C)n2)[C@@H](n2ccnn2)C1	ZINC001129294916	890185125	/nfs/dbraw/zinc/18/51/25/890185125.db2.gz	XIFLAIVBLPFGQG-CVEARBPZSA-N	1	0	358.471	1.041	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(NC(=O)[C@@H]2CCCC[N@H+]2C)CCC1	ZINC001063207503	890300970	/nfs/dbraw/zinc/30/09/70/890300970.db2.gz	LOZJRDVPCWRPRH-ULQDDVLXSA-N	1	0	363.502	1.607	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)CN2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c1C	ZINC000249204333	890309667	/nfs/dbraw/zinc/30/96/67/890309667.db2.gz	ASNSCLAWHBONIA-MSOLQXFVSA-N	1	0	372.513	1.937	20	30		FDEDRO
C#Cc1ccc(C(=O)NC2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC2)cc1	ZINC001063224069	890334519	/nfs/dbraw/zinc/33/45/19/890334519.db2.gz	IBVUQHFIEIRFSQ-CRAIPNDOSA-N	1	0	353.466	1.777	20	30		FDEDRO
C=CCOCCCC(=O)NC1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCC1	ZINC001063227667	890354610	/nfs/dbraw/zinc/35/46/10/890354610.db2.gz	ZMISBXZQHTUMEC-DLBZAZTESA-N	1	0	365.518	1.855	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CCNc3nccnc3C#N)C2)CC[N@@H+]1C	ZINC001063301838	890427650	/nfs/dbraw/zinc/42/76/50/890427650.db2.gz	FMAOJJNSTKJUNF-OWCLPIDISA-N	1	0	356.474	1.729	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC([C@H](C)NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cn1	ZINC001006182037	890550441	/nfs/dbraw/zinc/55/04/41/890550441.db2.gz	GNMSRAASTWICMF-ZOCIIQOWSA-N	1	0	368.481	1.370	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1	ZINC000939490639	890742331	/nfs/dbraw/zinc/74/23/31/890742331.db2.gz	KTRQYJRLPADNAT-RHSMWYFYSA-N	1	0	357.458	1.195	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](Cc2cccc(C(N)=O)c2)CC1	ZINC001001852709	891456916	/nfs/dbraw/zinc/45/69/16/891456916.db2.gz	WEPNQAKLUFKCKZ-MOPGFXCFSA-N	1	0	371.481	1.705	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(C#N)c[nH]2)C3)CC[N@@H+]1C	ZINC001001903778	891549227	/nfs/dbraw/zinc/54/92/27/891549227.db2.gz	FKVVRFSVZNVZDR-LZTJUBIUSA-N	1	0	355.442	1.088	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CCC[NH+]2CCC3)[nH]1	ZINC001002077325	891881063	/nfs/dbraw/zinc/88/10/63/891881063.db2.gz	LNUPXIVILYNGOK-OIISXLGYSA-N	1	0	367.453	1.376	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C1	ZINC001002199615	892217752	/nfs/dbraw/zinc/21/77/52/892217752.db2.gz	GDPHJHOYPQETED-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1	ZINC001002223404	892261561	/nfs/dbraw/zinc/26/15/61/892261561.db2.gz	KGHMDOVVTIFBLW-OWLYRPNTSA-N	1	0	363.502	1.273	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(CCOC)CCC2)C[C@H]1C	ZINC001106921041	892577431	/nfs/dbraw/zinc/57/74/31/892577431.db2.gz	TVNRKVOOQBOWOX-BRWVUGGUSA-N	1	0	363.502	1.015	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)NC1CCC(C)([NH+]2CCCC2)CC1	ZINC000921898119	892620925	/nfs/dbraw/zinc/62/09/25/892620925.db2.gz	XIMZHDKVTZOZMH-UHFFFAOYSA-N	1	0	357.520	1.684	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(CCOC)CCC2)C[C@H]1C	ZINC001106925169	892695303	/nfs/dbraw/zinc/69/53/03/892695303.db2.gz	CDEABGZRZPEWQG-HZPDHXFCSA-N	1	0	351.491	1.180	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccc(C)cc2F)C1	ZINC000940660437	892854193	/nfs/dbraw/zinc/85/41/93/892854193.db2.gz	IZTCWXDZVGKIOX-LZQZEXGQSA-N	1	0	371.456	1.808	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1	ZINC000940687726	892873172	/nfs/dbraw/zinc/87/31/72/892873172.db2.gz	BTYRZNMVIGZEHT-SQNIBIBYSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CC2(F)F)C3)CC1	ZINC001002447262	892926630	/nfs/dbraw/zinc/92/66/30/892926630.db2.gz	RJHLYNASUICQCI-FPCVCCKLSA-N	1	0	365.424	1.235	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3nc(C)no3)[C@H](C)C2)CCOCC1	ZINC001106932024	893023835	/nfs/dbraw/zinc/02/38/35/893023835.db2.gz	NMBWCAMZGHTOOA-GDBMZVCRSA-N	1	0	362.474	1.935	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3cnn(C)n3)[C@H](C)C2)CCOCC1	ZINC001106932215	893024897	/nfs/dbraw/zinc/02/48/97/893024897.db2.gz	UJGPSYPXVHRJRW-HZPDHXFCSA-N	1	0	361.490	1.372	20	30		FDEDRO
CCCc1c(NC(=O)C(=O)N2CC[C@H]([NH3+])C2)cnn1-c1cccc(C#N)c1	ZINC000415351765	893034242	/nfs/dbraw/zinc/03/42/42/893034242.db2.gz	IXIDCMITRZXUCX-AWEZNQCLSA-N	1	0	366.425	1.195	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](OC(F)F)C2)CC1	ZINC000672356939	893180136	/nfs/dbraw/zinc/18/01/36/893180136.db2.gz	OGQGBGAFQMWDLP-CQSZACIVSA-N	1	0	359.417	1.373	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2n[nH]c3ccccc32)C[C@H]1C	ZINC001106941823	893261929	/nfs/dbraw/zinc/26/19/29/893261929.db2.gz	DWWHIPMVEAXABW-RBSFLKMASA-N	1	0	369.469	1.551	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)C[C@@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)nc1	ZINC001002558575	893264599	/nfs/dbraw/zinc/26/45/99/893264599.db2.gz	VEGZQEHWQSHAJC-BPQIPLTHSA-N	1	0	368.481	1.466	20	30		FDEDRO
N#Cc1sc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)nc1Cl	ZINC000888414436	893398428	/nfs/dbraw/zinc/39/84/28/893398428.db2.gz	TWTXNTZFTWSRRH-JTQLQIEISA-N	1	0	355.851	1.854	20	30		FDEDRO
Cn1nc2c(c1C[NH2+][C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)COCC2	ZINC000921978981	893717031	/nfs/dbraw/zinc/71/70/31/893717031.db2.gz	BJCNWAWANBJGJO-GOSISDBHSA-N	1	0	365.437	1.650	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)C[N@@H+](C)CCC)CC2	ZINC001061137850	893786944	/nfs/dbraw/zinc/78/69/44/893786944.db2.gz	MJUIBWHHDGTLKI-SJORKVTESA-N	1	0	363.502	1.370	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)COCc2ccc(OC)nc2)[C@H](OC)C1	ZINC001212465532	894072180	/nfs/dbraw/zinc/07/21/80/894072180.db2.gz	LJNXZWOHUBINEA-IAGOWNOFSA-N	1	0	363.458	1.388	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1	ZINC000941200409	894097294	/nfs/dbraw/zinc/09/72/94/894097294.db2.gz	HAVPYFOXEYEJDY-LNLFQRSKSA-N	1	0	363.502	1.513	20	30		FDEDRO
N#Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](C[C@@H](O)c4ccc(F)cc4)C[C@H]32)c[nH]1	ZINC001084294272	913843873	/nfs/dbraw/zinc/84/38/73/913843873.db2.gz	HOXGZSUWKFIBIW-NIKGAXFTSA-N	1	0	368.412	1.905	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2	ZINC001002823300	894231368	/nfs/dbraw/zinc/23/13/68/894231368.db2.gz	GUPBINYXFDPNOK-BCDMZGRMSA-N	1	0	361.486	1.312	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C(=O)OC)oc1C	ZINC000922024214	894431074	/nfs/dbraw/zinc/43/10/74/894431074.db2.gz	NICWOLXOGGBPKF-UHFFFAOYSA-N	1	0	354.428	1.093	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C)c(C(=O)OC)o1	ZINC000922024698	894513135	/nfs/dbraw/zinc/51/31/35/894513135.db2.gz	IAJLQKCOONINHW-UHFFFAOYSA-N	1	0	354.428	1.093	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)CCc4nnc[nH]4)[C@@H]3C2)c1	ZINC001084264329	913878140	/nfs/dbraw/zinc/87/81/40/913878140.db2.gz	UQHRUZWDGJEMAX-IAGOWNOFSA-N	1	0	350.426	1.342	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc2c1CCN(C)C2	ZINC000922025478	894535291	/nfs/dbraw/zinc/53/52/91/894535291.db2.gz	MEPMVFNGFIHBMW-UHFFFAOYSA-N	1	0	361.511	1.393	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C	ZINC000922027664	894553194	/nfs/dbraw/zinc/55/31/94/894553194.db2.gz	ZEQXKZCAIVNVPB-UHFFFAOYSA-N	1	0	365.455	1.930	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C(=O)OC)cc1C	ZINC000922024363	894562101	/nfs/dbraw/zinc/56/21/01/894562101.db2.gz	PSXZUZCGQMFSFQ-UHFFFAOYSA-N	1	0	364.467	1.500	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Oc2cccc(C)c2)C[C@H]1C	ZINC001106957194	894926164	/nfs/dbraw/zinc/92/61/64/894926164.db2.gz	SWZULIVBCXOUDV-KZNAEPCWSA-N	1	0	371.481	1.196	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)c(C)s2)C[C@H]1C	ZINC001106960831	895839504	/nfs/dbraw/zinc/83/95/04/895839504.db2.gz	HZQYKAAWKADONN-IJEWVQPXSA-N	1	0	361.511	1.801	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@H](C)O[C@H](C)[C@@H]1C)C(C)C	ZINC000671082099	896164313	/nfs/dbraw/zinc/16/43/13/896164313.db2.gz	WCGDYPNMICSWTB-WNRNVDISSA-N	1	0	365.518	1.826	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2cccc3c2CCOC3)C1	ZINC001031988002	896167269	/nfs/dbraw/zinc/16/72/69/896167269.db2.gz	GXRKPBVQCYODRG-UXHICEINSA-N	1	0	356.466	1.898	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](NC(=O)C[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000942056180	896255841	/nfs/dbraw/zinc/25/58/41/896255841.db2.gz	DLARVOAVWHPYIG-OTWHNJEPSA-N	1	0	357.498	1.485	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H](OC)C1	ZINC000942144462	896469222	/nfs/dbraw/zinc/46/92/22/896469222.db2.gz	NNZAEHIASBACHM-BRWVUGGUSA-N	1	0	365.518	1.519	20	30		FDEDRO
Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O	ZINC001077851848	896593573	/nfs/dbraw/zinc/59/35/73/896593573.db2.gz	ITVDNRCWHXECLF-JBBXEZCESA-N	1	0	367.453	1.363	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC2(CCOCC2)C1	ZINC001089947397	896808076	/nfs/dbraw/zinc/80/80/76/896808076.db2.gz	FEAXIALPKXWEDA-WXJALIKYSA-N	1	0	358.482	1.420	20	30		FDEDRO
C=C(C)C[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@]34C[C@H]3COC4)C2)n1	ZINC001128107547	896967144	/nfs/dbraw/zinc/96/71/44/896967144.db2.gz	TZEICOAWTPXORO-VPWXQRGCSA-N	1	0	356.470	1.479	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)CC1	ZINC000057154915	897059363	/nfs/dbraw/zinc/05/93/63/897059363.db2.gz	HGVOWZKDVPSICL-UHFFFAOYSA-N	1	0	353.422	1.619	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)C1	ZINC001077957530	897134794	/nfs/dbraw/zinc/13/47/94/897134794.db2.gz	JWUWZKYJWKQPHA-UAXWRAGISA-N	1	0	354.372	1.945	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C)C[C@H]1O	ZINC001077977639	897280534	/nfs/dbraw/zinc/28/05/34/897280534.db2.gz	IEOUTWFGLZVHSD-QZTJIDSGSA-N	1	0	367.449	1.930	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c(C)onc2CC)C[C@H]1C	ZINC001106975510	897283680	/nfs/dbraw/zinc/28/36/80/897283680.db2.gz	VGDLQJGOXJFWOW-VNHYZAJKSA-N	1	0	362.474	1.534	20	30		FDEDRO
C#CC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@@H]3CCO[C@H]3C=C)C2)n1	ZINC001128117682	897296930	/nfs/dbraw/zinc/29/69/30/897296930.db2.gz	HPPNZJIUVYDPKR-KSZLIROESA-N	1	0	354.454	1.090	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](OC)C1	ZINC000942576247	897396015	/nfs/dbraw/zinc/39/60/15/897396015.db2.gz	ZXENEBRMXWOGSF-IAGOWNOFSA-N	1	0	370.453	1.811	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1COc2cc(OC)ccc2C1)C1CC[NH+](C)CC1	ZINC000921737605	897421615	/nfs/dbraw/zinc/42/16/15/897421615.db2.gz	IJRHAHJDCWMUHR-MRXNPFEDSA-N	1	0	357.454	1.738	20	30		FDEDRO
C#CCC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@H]3CC[C@@H](C)O3)C2)n1	ZINC001128132670	897424791	/nfs/dbraw/zinc/42/47/91/897424791.db2.gz	JKYAYTMMLNZGLY-BPQIPLTHSA-N	1	0	356.470	1.457	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2csc3nccn23)C[C@H]1C	ZINC001106987089	897675050	/nfs/dbraw/zinc/67/50/50/897675050.db2.gz	RSRRBJOJJJXJST-HUUCEWRRSA-N	1	0	360.483	1.272	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000942826323	897878635	/nfs/dbraw/zinc/87/86/35/897878635.db2.gz	WYSDURAJWKPHPH-SLFFLAALSA-N	1	0	371.525	1.827	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCCC2=CCN(c3cnc(C#N)cn3)CC2)CC[N@@H+]1C	ZINC001089870534	897899840	/nfs/dbraw/zinc/89/98/40/897899840.db2.gz	VCERSORPCINJOU-RHSMWYFYSA-N	1	0	354.458	1.331	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCc3ccccc32)C[C@H]1C	ZINC001106995843	898322841	/nfs/dbraw/zinc/32/28/41/898322841.db2.gz	VENIQWHKXUZSAH-SJLPKXTDSA-N	1	0	370.497	1.035	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000943166218	898414000	/nfs/dbraw/zinc/41/40/00/898414000.db2.gz	QURUEPYLNRTJBE-XYJFISCASA-N	1	0	371.485	1.728	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2CCCCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000943286155	898623445	/nfs/dbraw/zinc/62/34/45/898623445.db2.gz	MJPKMJKZFGMBJO-FRFSOERESA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cnn(C)c2)C1	ZINC001078402646	898735332	/nfs/dbraw/zinc/73/53/32/898735332.db2.gz	UJRKZKMBNLPMSZ-KURKYZTESA-N	1	0	362.474	1.108	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cnc(C)nc2)C1	ZINC001078474195	898808360	/nfs/dbraw/zinc/80/83/60/898808360.db2.gz	XGQCGPKYHWQLKO-KURKYZTESA-N	1	0	360.458	1.083	20	30		FDEDRO
N#Cc1cccc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CCCO2)c1	ZINC001078475048	898811015	/nfs/dbraw/zinc/81/10/15/898811015.db2.gz	CGJTWZGOWIBEPW-WCIQWLHISA-N	1	0	369.465	1.833	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC000943545014	898993919	/nfs/dbraw/zinc/99/39/19/898993919.db2.gz	ITTRZFOCVNQBKT-BBWFWOEESA-N	1	0	361.486	1.171	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)C#CC(C)(C)C)CC3)CC[N@@H+]1C	ZINC001061022174	899286010	/nfs/dbraw/zinc/28/60/10/899286010.db2.gz	GOISWTAUVVLFMT-IAGOWNOFSA-N	1	0	359.514	1.827	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1	ZINC000943773777	899354311	/nfs/dbraw/zinc/35/43/11/899354311.db2.gz	LULURCVDRBAPJV-ZKXLYKBJSA-N	1	0	363.502	1.463	20	30		FDEDRO
CCCCC[C@@H](CC)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001107014761	899544884	/nfs/dbraw/zinc/54/48/84/899544884.db2.gz	CFJZAFHQLHEZLM-BRWVUGGUSA-N	1	0	350.507	1.917	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C[NH2+]CC(=O)N1CCC1	ZINC001107017446	899556200	/nfs/dbraw/zinc/55/62/00/899556200.db2.gz	XJOOFXHGTDKKSH-IEBWSBKVSA-N	1	0	353.466	1.345	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cncc3ccccc32)C[C@H]1C	ZINC001107026079	899629541	/nfs/dbraw/zinc/62/95/41/899629541.db2.gz	HFEAVGDVYGMGIV-NVXWUHKLSA-N	1	0	364.449	1.282	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC=C(C)C)[C@H](C)C1	ZINC001107035888	899994775	/nfs/dbraw/zinc/99/47/75/899994775.db2.gz	DBPAIRICJMDVPF-HZPDHXFCSA-N	1	0	350.507	1.901	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(c3cccc(C)c3)CC2)C[C@H]1C	ZINC001107037452	900018500	/nfs/dbraw/zinc/01/85/00/900018500.db2.gz	HVIHYLLNWXWJDF-QZTJIDSGSA-N	1	0	367.493	1.460	20	30		FDEDRO
CCOCCOCC(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1	ZINC001107042519	900058015	/nfs/dbraw/zinc/05/80/15/900058015.db2.gz	QAKJEBPBCUDYGV-VQIMIIECSA-N	1	0	359.470	1.795	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2C[C@@H](C[NH2+][C@H](C)C(N)=O)[C@H](C)C2)cc1	ZINC001107049970	900175268	/nfs/dbraw/zinc/17/52/68/900175268.db2.gz	KBYYWMBGMMKIOP-BFYDXBDKSA-N	1	0	359.470	1.352	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](OC)c2ccc(F)cc2)C[C@H]1C	ZINC001107058355	900260298	/nfs/dbraw/zinc/26/02/98/900260298.db2.gz	FMWFJVCNBRITMS-SZVBFZGTSA-N	1	0	362.445	1.847	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(CCOC)CCCC2)C[C@H]1C	ZINC001107058594	900274137	/nfs/dbraw/zinc/27/41/37/900274137.db2.gz	QBPLPCZBTAHMNK-IAGOWNOFSA-N	1	0	363.502	1.017	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C(C)C)n2C)[C@H](C)C1	ZINC001107062201	900442336	/nfs/dbraw/zinc/44/23/36/900442336.db2.gz	CKYNOIVJRMJSRZ-BZUAXINKSA-N	1	0	363.506	1.714	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CCNC(=O)NC(C)(C)C)[C@H](C)C1	ZINC001107063115	900448257	/nfs/dbraw/zinc/44/82/57/900448257.db2.gz	BXQPFPFEQNLIOG-BZUAXINKSA-N	1	0	368.522	1.359	20	30		FDEDRO
COCCOCCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1	ZINC001107068242	900473016	/nfs/dbraw/zinc/47/30/16/900473016.db2.gz	RRXMPODSZJVDBV-HUUCEWRRSA-N	1	0	365.499	1.857	20	30		FDEDRO
C[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@]1(CO)CCOC1	ZINC000763886303	900479870	/nfs/dbraw/zinc/47/98/70/900479870.db2.gz	SDKBGTCNGBXHEF-LIRRHRJNSA-N	1	0	352.394	1.307	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(N(C)CC)cc2)C[C@H]1C	ZINC001107074545	900526278	/nfs/dbraw/zinc/52/62/78/900526278.db2.gz	CTLVLJABUOWVSG-SJLPKXTDSA-N	1	0	370.497	1.190	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccnc(-n3cncn3)c2)C[C@H]1C	ZINC001107080694	900593195	/nfs/dbraw/zinc/59/31/95/900593195.db2.gz	BDODPWSQJYVXMS-NVXWUHKLSA-N	1	0	370.457	1.163	20	30		FDEDRO
C[C@@H]1CN(C(=O)COC[C@H]2CCCO2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001107090414	900806936	/nfs/dbraw/zinc/80/69/36/900806936.db2.gz	KKVJBQSERPMVAE-NSISKUIASA-N	1	0	371.481	1.938	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)C(=O)Nc2c(C)cccc2C)C[C@H]1C	ZINC001107095641	900856535	/nfs/dbraw/zinc/85/65/35/900856535.db2.gz	UTOCTJLSGQQZGN-QZTJIDSGSA-N	1	0	371.481	1.576	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccc(C#N)nc2)CC[N@@H+]1C	ZINC001064544045	901395695	/nfs/dbraw/zinc/39/56/95/901395695.db2.gz	BYVWOPFDZLKFHM-DQEVTTJGSA-N	1	0	353.470	1.863	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NC(=O)CCc2cncn2C)CCC1	ZINC001064583896	901432362	/nfs/dbraw/zinc/43/23/62/901432362.db2.gz	SFOUVYRKVLMALH-CVEARBPZSA-N	1	0	360.458	1.099	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CCC1	ZINC001064649336	901515853	/nfs/dbraw/zinc/51/58/53/901515853.db2.gz	OWGXLVQAIXRUTI-JQHSSLGASA-N	1	0	368.481	1.647	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H]3CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]3C2)n1	ZINC001090315350	901632148	/nfs/dbraw/zinc/63/21/48/901632148.db2.gz	RBEOOSZJHMODON-GOEBONIOSA-N	1	0	356.474	1.288	20	30		FDEDRO
N#Cc1nccc(N2C[C@@H]3CCN(C(=O)CCC[NH+]4CCCCC4)[C@@H]3C2)n1	ZINC001090317848	901650598	/nfs/dbraw/zinc/65/05/98/901650598.db2.gz	LJVVJWLUWIUTIF-DLBZAZTESA-N	1	0	368.485	1.651	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2CN(c3ncccc3C#N)C[C@H]21	ZINC001090340019	901755604	/nfs/dbraw/zinc/75/56/04/901755604.db2.gz	FSPAHEYSWGKQMZ-YESZJQIVSA-N	1	0	359.449	1.670	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2CN(c3cnc(C#N)cn3)C[C@H]21	ZINC001090340770	901757271	/nfs/dbraw/zinc/75/72/71/901757271.db2.gz	MMCZTBZCCPUQNU-CWRNSKLLSA-N	1	0	360.437	1.065	20	30		FDEDRO
CC[C@H](C(=O)N1CC[C@H]2CN(c3nc(C)cc(C#N)n3)C[C@H]21)[NH+](CC)CC	ZINC001090355142	901825247	/nfs/dbraw/zinc/82/52/47/901825247.db2.gz	HCMVDXRETNECNB-CGTJXYLNSA-N	1	0	370.501	1.814	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC(=O)N2)C1	ZINC001079129970	901937732	/nfs/dbraw/zinc/93/77/32/901937732.db2.gz	QUCBEZMEIQGJPJ-GUDVDZBRSA-N	1	0	371.481	1.305	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C2=CCOCC2)C1	ZINC001079132472	901945494	/nfs/dbraw/zinc/94/54/94/901945494.db2.gz	OKPHPPBKXQLLOK-WOJBJXKFSA-N	1	0	354.450	1.430	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cc(C#N)c[nH]2)C1	ZINC001079132615	901947650	/nfs/dbraw/zinc/94/76/50/901947650.db2.gz	XBLPSPXVUBTUEV-WOJBJXKFSA-N	1	0	362.433	1.597	20	30		FDEDRO
CC#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C2CC[NH+](C)CC2)C1	ZINC001079142590	901950859	/nfs/dbraw/zinc/95/08/59/901950859.db2.gz	JTGGTHNKAQBUQE-NHCUHLMSSA-N	1	0	369.509	1.425	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2nonc2C)C1	ZINC001079147420	901973701	/nfs/dbraw/zinc/97/37/01/901973701.db2.gz	OWWBFPVCTVYCSZ-IAGOWNOFSA-N	1	0	356.426	1.642	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CC2OCCCO2)CC[C@H]1c1ccc(F)cc1	ZINC001079151170	901984128	/nfs/dbraw/zinc/98/41/28/901984128.db2.gz	DLLLNRASRHZYNM-ZWKOTPCHSA-N	1	0	360.429	1.886	20	30		FDEDRO
CC#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001079135925	902002746	/nfs/dbraw/zinc/00/27/46/902002746.db2.gz	VVLQNAXXXBTEJK-CWJKEVGVSA-N	1	0	369.509	1.424	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCCNC2=O)C1	ZINC001079136762	902005254	/nfs/dbraw/zinc/00/52/54/902005254.db2.gz	AWROQRJCXXKECR-IPMKNSEASA-N	1	0	371.481	1.163	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CCc2cnn(C)c2)C1	ZINC001079175164	902059631	/nfs/dbraw/zinc/05/96/31/902059631.db2.gz	YRDDHJLNCNBDPC-MDASCCDHSA-N	1	0	369.444	1.846	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)CC[C@H]1c1ccc(F)cc1	ZINC001079156817	902074628	/nfs/dbraw/zinc/07/46/28/902074628.db2.gz	JSVOZHSOFZQOQG-WAOWUJCRSA-N	1	0	371.456	1.649	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)CC[C@H]1c1ccc(F)cc1	ZINC001079157085	902076371	/nfs/dbraw/zinc/07/63/71/902076371.db2.gz	YRBYHMAUVVAXAU-RCCFBDPRSA-N	1	0	359.445	1.907	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](NCC#N)C2)C1	ZINC001079159230	902081844	/nfs/dbraw/zinc/08/18/44/902081844.db2.gz	QFZQCPIAXXUNTQ-AYOQOUSVSA-N	1	0	358.461	1.965	20	30		FDEDRO
C[C@H](C#N)C(=O)NCCCCC[NH+]1CCN(C(=O)[C@H]2OCC[C@H]2C)CC1	ZINC001079165867	902096859	/nfs/dbraw/zinc/09/68/59/902096859.db2.gz	KMYXFZIJKRKPIX-ZACQAIPSSA-N	1	0	364.490	1.002	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCC(=O)N2)C[C@H]1c1cccc(F)c1	ZINC001079198770	902098117	/nfs/dbraw/zinc/09/81/17/902098117.db2.gz	QZMIHEUHJSQYGK-OKZBNKHCSA-N	1	0	357.429	1.402	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CC)C[C@H]1c1cccc(F)c1	ZINC001079204759	902107548	/nfs/dbraw/zinc/10/75/48/902107548.db2.gz	KVCADEUPVYOBBA-GBESFXJTSA-N	1	0	371.456	1.744	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CCn2cncn2)C1	ZINC001079183593	902125830	/nfs/dbraw/zinc/12/58/30/902125830.db2.gz	KODNLHVZQSHGQF-RBUKOAKNSA-N	1	0	367.428	1.415	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1CN(CC(=O)N2CCCCCCC2)C[C@H]1OC	ZINC001212349418	902126218	/nfs/dbraw/zinc/12/62/18/902126218.db2.gz	VAAGEXLNBDSUHE-QZTJIDSGSA-N	1	0	365.518	1.951	20	30		FDEDRO
N#CCN[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1c1cccc(F)c1	ZINC001079189192	902140217	/nfs/dbraw/zinc/14/02/17/902140217.db2.gz	HSCQNDBHUVOHPD-ZWKOTPCHSA-N	1	0	356.445	1.862	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1c1cccc(F)c1	ZINC001079191332	902148144	/nfs/dbraw/zinc/14/81/44/902148144.db2.gz	JLEOHRXRBKZOTN-JKSUJKDBSA-N	1	0	357.385	1.901	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2C)C[C@H]1c1cccc(F)c1	ZINC001079193722	902153047	/nfs/dbraw/zinc/15/30/47/902153047.db2.gz	ROTVXPILWIGHBU-OKZBNKHCSA-N	1	0	357.429	1.354	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3ccc(F)cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079238018	902180478	/nfs/dbraw/zinc/18/04/78/902180478.db2.gz	CXYASYCSQCNLOI-FUHWJXTLSA-N	1	0	357.429	1.797	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cccc(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079221881	902222939	/nfs/dbraw/zinc/22/29/39/902222939.db2.gz	MFHYUXFOWDPORP-PKOBYXMFSA-N	1	0	353.466	1.966	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CN(C(=O)c3cnn(C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079222088	902224640	/nfs/dbraw/zinc/22/46/40/902224640.db2.gz	SHEDMYZNEDLUGX-ZWKOTPCHSA-N	1	0	358.486	1.939	20	30		FDEDRO
Cc1cnc(C[NH+]2CCC3(CN(C(=O)[C@@H](C)C#N)[C@@H]4COC[C@@H]43)CC2)cn1	ZINC001079228352	902242238	/nfs/dbraw/zinc/24/22/38/902242238.db2.gz	ILEWDRWHNZQISQ-JCGIZDLHSA-N	1	0	369.469	1.384	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3c(C)ncn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079245866	902255319	/nfs/dbraw/zinc/25/53/19/902255319.db2.gz	KRXDZMDKHVNFFD-DLBZAZTESA-N	1	0	356.470	1.305	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cccn3CC=C)[C@@H]3COC[C@@H]32)CC1	ZINC001079245913	902255622	/nfs/dbraw/zinc/25/56/22/902255622.db2.gz	LTMWMGHKJBMGCL-PKOBYXMFSA-N	1	0	353.466	1.860	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)C[C@@H]3CCCC(=O)N3)[C@@H]3COC[C@@H]32)CC1	ZINC001079251335	902271910	/nfs/dbraw/zinc/27/19/10/902271910.db2.gz	RFICJADLBMUQSU-YESZJQIVSA-N	1	0	361.486	1.171	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCNC(=O)CC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079254333	902280128	/nfs/dbraw/zinc/28/01/28/902280128.db2.gz	XLOBKTSSMXMMLG-YESZJQIVSA-N	1	0	361.486	1.028	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3c(C)cnn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079256853	902286685	/nfs/dbraw/zinc/28/66/85/902286685.db2.gz	JAVHHHZDNUGVJZ-DLBZAZTESA-N	1	0	358.486	1.858	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3c(C)cnn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079257142	902287988	/nfs/dbraw/zinc/28/79/88/902287988.db2.gz	WFOMUHFXMRXOLW-DLBZAZTESA-N	1	0	358.486	1.858	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3c(C)cnn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079257000	902288047	/nfs/dbraw/zinc/28/80/47/902288047.db2.gz	PLXNGCAPPYUWMZ-DLBZAZTESA-N	1	0	356.470	1.305	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3c[nH]nc3C3CC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079268049	902319172	/nfs/dbraw/zinc/31/91/72/902319172.db2.gz	JNHUWPZQNULHGU-DLBZAZTESA-N	1	0	354.454	1.473	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cccc(OC)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269014	902322571	/nfs/dbraw/zinc/32/25/71/902322571.db2.gz	ASDADLJIMXPDLC-FUHWJXTLSA-N	1	0	369.465	1.667	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3c[nH]c(C)cc3=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079269127	902323846	/nfs/dbraw/zinc/32/38/46/902323846.db2.gz	HUFKSBYAPILOBS-ZWKOTPCHSA-N	1	0	369.465	1.260	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3ccc(N(C)C)nn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079270385	902330412	/nfs/dbraw/zinc/33/04/12/902330412.db2.gz	PMAATHIKSWYTMD-DOTOQJQBSA-N	1	0	371.485	1.282	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3n[nH]c4ccccc43)[C@@H]3COC[C@@H]32)CC1	ZINC001079272569	902336463	/nfs/dbraw/zinc/33/64/63/902336463.db2.gz	MYYPSQNNJYZLIZ-FUHWJXTLSA-N	1	0	364.449	1.749	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cc(C)nnc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079242396	902337045	/nfs/dbraw/zinc/33/70/45/902337045.db2.gz	XRXMUCNPJFEAPC-RBUKOAKNSA-N	1	0	368.481	1.670	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)[C@@H](C)c3ccnn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079242967	902339005	/nfs/dbraw/zinc/33/90/05/902339005.db2.gz	CPDACWKZKLYLOT-JENIJYKNSA-N	1	0	370.497	1.486	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCN(C)C2=O)C[C@H]1c1ccccc1F	ZINC001079299226	902342460	/nfs/dbraw/zinc/34/24/60/902342460.db2.gz	FFSWDNDMJCFPOX-UWWQBHOKSA-N	1	0	357.429	1.211	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cn2nc(C)cc2C)C[C@H]1c1ccccc1F	ZINC001079302219	902351165	/nfs/dbraw/zinc/35/11/65/902351165.db2.gz	SBERJDUKJHEZKF-PKOBYXMFSA-N	1	0	354.429	1.856	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2ccncn2)C[C@H]1c1ccccc1F	ZINC001079297741	902403028	/nfs/dbraw/zinc/40/30/28/902403028.db2.gz	ILDVFNAFZXJWSE-PKOBYXMFSA-N	1	0	352.413	1.766	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]C[C@H](C)O)C2)cn1	ZINC001079318546	902418987	/nfs/dbraw/zinc/41/89/87/902418987.db2.gz	KEUMMLHIHUMRQF-ADLFWFRXSA-N	1	0	367.424	1.781	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCC)C2)C[C@H]1c1ccccc1F	ZINC001079313636	902449341	/nfs/dbraw/zinc/44/93/41/902449341.db2.gz	MYSHTOFDAUTRQF-HHXXYDBFSA-N	1	0	371.456	1.601	20	30		FDEDRO
COc1ccc(C#N)cc1CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1	ZINC001079494848	902712338	/nfs/dbraw/zinc/71/23/38/902712338.db2.gz	PZHMPNKYGGDMDR-ZTFGCOKTSA-N	1	0	356.470	1.598	20	30		FDEDRO
COc1ccc(CN2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1C#N	ZINC001079494677	902712515	/nfs/dbraw/zinc/71/25/15/902712515.db2.gz	LFLOYWQZMXUILL-OLMNPRSZSA-N	1	0	356.470	1.598	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2F)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC001079581090	902833721	/nfs/dbraw/zinc/83/37/21/902833721.db2.gz	DHBIDNKGSAGTMV-NXOUGTEYSA-N	1	0	356.401	1.809	20	30		FDEDRO
C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1C)n1cncn1	ZINC001079596058	902883361	/nfs/dbraw/zinc/88/33/61/902883361.db2.gz	OEHVWFXFEJDXAT-RVKKMQEKSA-N	1	0	368.441	1.378	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000654431344	902975559	/nfs/dbraw/zinc/97/55/59/902975559.db2.gz	GXMNWMYAYNLFDJ-YESZJQIVSA-N	1	0	352.523	1.824	20	30		FDEDRO
C[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001079710449	903120389	/nfs/dbraw/zinc/12/03/89/903120389.db2.gz	JAHFWFNDDMJTMA-LXGCGDOSSA-N	1	0	370.472	1.976	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1CN(C(=O)C(C)(C)[N@H+](C)CC)C1	ZINC001079855267	903520752	/nfs/dbraw/zinc/52/07/52/903520752.db2.gz	UDQYIAVOHZRETJ-IRXDYDNUSA-N	1	0	365.518	1.757	20	30		FDEDRO
CC1(C)CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC000996310346	903670998	/nfs/dbraw/zinc/67/09/98/903670998.db2.gz	MLLYDHUWZSPNCL-IJEWVQPXSA-N	1	0	358.417	1.145	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cn2c(n1)COCC2	ZINC001079960543	903768687	/nfs/dbraw/zinc/76/86/87/903768687.db2.gz	SSQBQVDNFFSCQA-RHSMWYFYSA-N	1	0	365.437	1.535	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CC24CCC4)C3)CC1	ZINC000996440071	903889489	/nfs/dbraw/zinc/88/94/89/903889489.db2.gz	MDBQGPYOGYPHDG-YRXWBPOGSA-N	1	0	369.509	1.770	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@]3(CNC(=O)COC)CCC[C@@H]23)c1	ZINC001107245661	904114267	/nfs/dbraw/zinc/11/42/67/904114267.db2.gz	MWCQDRIAHFMNII-WIYYLYMNSA-N	1	0	369.465	1.614	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)CC)CCC[C@@H]12	ZINC001107286473	904302800	/nfs/dbraw/zinc/30/28/00/904302800.db2.gz	JGDWYGQIUCSWAE-SPYBWZPUSA-N	1	0	364.490	1.405	20	30		FDEDRO
N#CCSCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCCC1)CC2	ZINC001107289552	904308040	/nfs/dbraw/zinc/30/80/40/904308040.db2.gz	DIUKOTAUVLUXAB-CRAIPNDOSA-N	1	0	364.515	1.226	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]Cc2nnnn2CCC)CC1	ZINC000996599926	904312945	/nfs/dbraw/zinc/31/29/45/904312945.db2.gz	FEPIELGEWBBZNT-CVEARBPZSA-N	1	0	362.478	1.145	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCSCC)CCC[C@@H]12	ZINC001107299823	904353463	/nfs/dbraw/zinc/35/34/63/904353463.db2.gz	KGNDOMKXMVXMDC-CRAIPNDOSA-N	1	0	353.532	1.793	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccnc(OC)n1)CC2	ZINC001107330982	904462805	/nfs/dbraw/zinc/46/28/05/904462805.db2.gz	VUTYNSHVEFPXMH-VQIMIIECSA-N	1	0	360.458	1.549	20	30		FDEDRO
Cc1ccncc1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107341206	904524353	/nfs/dbraw/zinc/52/43/53/904524353.db2.gz	KETOIBOQCVLQRB-VQIMIIECSA-N	1	0	355.442	1.004	20	30		FDEDRO
CCN(C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C#N)c[nH]3)CCC[C@@H]12	ZINC001107349678	904552553	/nfs/dbraw/zinc/55/25/53/904552553.db2.gz	MDTQEGIKAICZJX-VQIMIIECSA-N	1	0	357.458	1.339	20	30		FDEDRO
COCCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C#N)[nH]3)CCC[C@@H]12	ZINC001107363474	904560751	/nfs/dbraw/zinc/56/07/51/904560751.db2.gz	BNEQANDSDRBBEB-IEBWSBKVSA-N	1	0	360.458	1.524	20	30		FDEDRO
COCCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH]c(C#N)c3)CCC[C@@H]12	ZINC001107366897	904573956	/nfs/dbraw/zinc/57/39/56/904573956.db2.gz	YCCQCNUXJSUSMU-IEBWSBKVSA-N	1	0	360.458	1.524	20	30		FDEDRO
CCN(CC)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH]c(C#N)c3)CCC[C@@H]12	ZINC001107366628	904574283	/nfs/dbraw/zinc/57/42/83/904574283.db2.gz	MVJNSAXUTZVBOM-YLJYHZDGSA-N	1	0	371.485	1.729	20	30		FDEDRO
C#CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@@H]1CCc3ncnn31)CC2	ZINC001107384038	904657843	/nfs/dbraw/zinc/65/78/43/904657843.db2.gz	MLHTUTADHLTNSY-SQGPQFPESA-N	1	0	355.486	1.930	20	30		FDEDRO
C[C@H](NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C#CC3CC3)CCC[C@@H]12)C1CC1	ZINC001107399703	904729347	/nfs/dbraw/zinc/72/93/47/904729347.db2.gz	FPIOINJLKQEERG-RRMPHLOHSA-N	1	0	357.498	1.675	20	30		FDEDRO
O=C(C#CC1CC1)NC[C@]12CCC[C@H]1[N@H+](C[C@H]1CCc3ncnn31)CC2	ZINC001107399984	904731088	/nfs/dbraw/zinc/73/10/88/904731088.db2.gz	UHRMNOUMWNHXLU-MBOZVWFJSA-N	1	0	353.470	1.540	20	30		FDEDRO
CO[C@@H]1C[N@H+](Cc2ccccc2N(C)C)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC001081552371	904756150	/nfs/dbraw/zinc/75/61/50/904756150.db2.gz	HGXVTBUCNQWZCL-IEBWSBKVSA-N	1	0	367.453	1.582	20	30		FDEDRO
CO[C@H](C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](OC)C1)C1CCCC1	ZINC001081563642	904772383	/nfs/dbraw/zinc/77/23/83/904772383.db2.gz	YQEPQEJINXAGTQ-KZNAEPCWSA-N	1	0	360.458	1.521	20	30		FDEDRO
C[C@@]1(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)CC=CCC1	ZINC001107419259	904798380	/nfs/dbraw/zinc/79/83/80/904798380.db2.gz	NSNRWGSVWUAHNK-NSISKUIASA-N	1	0	358.486	1.733	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC)CC2	ZINC001107410619	904801334	/nfs/dbraw/zinc/80/13/34/904801334.db2.gz	IWQGEIIBLHLHFU-AXVVYFOYSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC)CC2)OCC	ZINC001107425797	904841544	/nfs/dbraw/zinc/84/15/44/904841544.db2.gz	QORWQHYPBIVUFF-MBOZVWFJSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)CCCN3C(=O)CCC3=O)CCC[C@@H]12	ZINC001107426074	904846431	/nfs/dbraw/zinc/84/64/31/904846431.db2.gz	DJFBZVRUHSBANU-OXQOHEQNSA-N	1	0	361.486	1.853	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)Cc3cnn(C)c3C)CCC[C@@H]12	ZINC001107432745	904884898	/nfs/dbraw/zinc/88/48/98/904884898.db2.gz	YFBVINQZZUDVFM-UYAOXDASSA-N	1	0	360.502	1.834	20	30		FDEDRO
CC(C)(CC(F)F)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107432942	904886067	/nfs/dbraw/zinc/88/60/67/904886067.db2.gz	GPUIRHMFHSXPLF-FZKQIMNGSA-N	1	0	370.444	1.668	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)[C@H](OC)C1	ZINC001081720522	904955042	/nfs/dbraw/zinc/95/50/42/904955042.db2.gz	QXZDUYYBZUUBQA-IXDOHACOSA-N	1	0	365.518	1.805	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]2C)cc1	ZINC001080244727	904995210	/nfs/dbraw/zinc/99/52/10/904995210.db2.gz	IYNSUMIPVGUGLJ-SZVBFZGTSA-N	1	0	353.466	1.634	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2c(CC)c(CC)n[nH]c2=O)[C@H](OC)C1	ZINC001081756744	905037627	/nfs/dbraw/zinc/03/76/27/905037627.db2.gz	ZBBXEOKOAQTQGM-HZPDHXFCSA-N	1	0	362.474	1.702	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)C(=O)Nc3ccccc3)CCC[C@@H]12	ZINC001107463797	905071413	/nfs/dbraw/zinc/07/14/13/905071413.db2.gz	DRRWRBODWHXASF-WIYYLYMNSA-N	1	0	369.465	1.636	20	30		FDEDRO
C#CCC(CC#C)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1	ZINC000764577478	905097989	/nfs/dbraw/zinc/09/79/89/905097989.db2.gz	QFZALXOZYAJYGG-UHFFFAOYSA-N	1	0	353.466	1.914	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)CCc3nccn3C)CCC[C@@H]12	ZINC001107481191	905135164	/nfs/dbraw/zinc/13/51/64/905135164.db2.gz	LRQJFXHOJXGHJK-YLJYHZDGSA-N	1	0	360.502	1.916	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3C[C@H]3C3CC3)CCC[C@@H]12	ZINC001107479604	905152757	/nfs/dbraw/zinc/15/27/57/905152757.db2.gz	KHFCJKDOJFHCNJ-LXGFNABISA-N	1	0	357.498	1.533	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3C)CCC[C@@H]12	ZINC001107495249	905199275	/nfs/dbraw/zinc/19/92/75/905199275.db2.gz	LNLRUYXXJPUKLH-DEXNDLTESA-N	1	0	362.474	1.015	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCCF)CCC[C@@H]12	ZINC001107507885	905293591	/nfs/dbraw/zinc/29/35/91/905293591.db2.gz	OJDIFZIJFWRDHI-VQIMIIECSA-N	1	0	366.481	1.859	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@]23CCC[C@H]2[N@H+](C[C@@H](O)COC)CC3)c1	ZINC001107538875	905401480	/nfs/dbraw/zinc/40/14/80/905401480.db2.gz	YWKNYQDEQVVGPW-QWFCFKBJSA-N	1	0	357.454	1.045	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(Cc3cc(F)ccc3C#N)C[C@H]2C)C1	ZINC001080446312	905448907	/nfs/dbraw/zinc/44/89/07/905448907.db2.gz	HNJBUXCJURZQAQ-SPYBWZPUSA-N	1	0	358.461	1.976	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@@]3(CNC(=O)C4(CF)CC4)CCC[C@@H]23)C1=O	ZINC001107544193	905479131	/nfs/dbraw/zinc/47/91/31/905479131.db2.gz	QYDXSMKVDJNRST-JXXFODFXSA-N	1	0	363.477	1.884	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3cnn(C)n3)CCC[C@@H]12	ZINC001107551132	905509822	/nfs/dbraw/zinc/50/98/22/905509822.db2.gz	ZUIXZVVZFFMJLF-NVXWUHKLSA-N	1	0	351.882	1.861	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCOC)CC2	ZINC001107553410	905565179	/nfs/dbraw/zinc/56/51/79/905565179.db2.gz	KWQDVGWCRPOHCR-AJYBTWMASA-N	1	0	366.502	1.601	20	30		FDEDRO
CO[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1	ZINC001082018440	905574610	/nfs/dbraw/zinc/57/46/10/905574610.db2.gz	CGVVGNALIVUROK-WOJBJXKFSA-N	1	0	369.509	1.728	20	30		FDEDRO
C=CCC(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCN1CCNC1=O)CC2	ZINC001107560323	905629197	/nfs/dbraw/zinc/62/91/97/905629197.db2.gz	GXVGJJLNEJXSRX-OXQOHEQNSA-N	1	0	362.518	1.975	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2CCN(CC(F)F)CC2)[C@H](OC)C1	ZINC001082068354	905714471	/nfs/dbraw/zinc/71/44/71/905714471.db2.gz	CUHXQLZAUPJHCI-HZPDHXFCSA-N	1	0	359.461	1.745	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C1	ZINC001080574635	905726109	/nfs/dbraw/zinc/72/61/09/905726109.db2.gz	KREVUNUYLZCESM-KURKYZTESA-N	1	0	365.518	1.757	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)Cc3ccccc3)C[C@H]2C)nn1	ZINC001080579989	905736462	/nfs/dbraw/zinc/73/64/62/905736462.db2.gz	CVCNBDPRXZIBOA-KBAYOESNSA-N	1	0	369.469	1.118	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc4ncccn4n3)CCC[C@@H]12	ZINC001107582498	905752681	/nfs/dbraw/zinc/75/26/81/905752681.db2.gz	HCUFIDDKYNPNFK-YLJYHZDGSA-N	1	0	367.453	1.354	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C1CC[NH+](C)CC1	ZINC001082094782	905753095	/nfs/dbraw/zinc/75/30/95/905753095.db2.gz	BOZFQSXNZTXGHU-RTBURBONSA-N	1	0	356.470	1.215	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1ccc2nncn2c1	ZINC001080611435	905786811	/nfs/dbraw/zinc/78/68/11/905786811.db2.gz	IXDDRQOWRMLSKR-RDTXWAMCSA-N	1	0	360.421	1.851	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@]3(CNC(=O)Cc4ncc[nH]4)CCC[C@@H]23)C1=O	ZINC001107588952	905798142	/nfs/dbraw/zinc/79/81/42/905798142.db2.gz	WCABYMHXXXUWBK-RZQQEMMASA-N	1	0	371.485	1.100	20	30		FDEDRO
CCCn1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC#CCOC)CC3)nn1	ZINC001107588614	905798838	/nfs/dbraw/zinc/79/88/38/905798838.db2.gz	OFAYPGHXDNTYJC-IEBWSBKVSA-N	1	0	359.474	1.312	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cccc(-n3cncn3)c2)[C@H](OC)C1	ZINC001082118193	905835019	/nfs/dbraw/zinc/83/50/19/905835019.db2.gz	LJKTYCOKWRUBCK-QZTJIDSGSA-N	1	0	355.442	1.663	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4nc[nH]c4C3)CCC[C@@H]12	ZINC001107598554	905894808	/nfs/dbraw/zinc/89/48/08/905894808.db2.gz	JBJFGBDJYCYUCN-OZOXKJRCSA-N	1	0	370.497	1.525	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)CCc3cnccn3)CCC[C@@H]12	ZINC001107600444	905908469	/nfs/dbraw/zinc/90/84/69/905908469.db2.gz	ZCTMXABTBVNFQC-UYAOXDASSA-N	1	0	358.486	1.973	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CCC(=O)NCCCOC)CCC[C@@H]12	ZINC001107604044	905943245	/nfs/dbraw/zinc/94/32/45/905943245.db2.gz	DSKHWYNRUUKCOU-YLJYHZDGSA-N	1	0	363.502	1.303	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)CCC(=O)NCCCOC)CCC[C@@H]12	ZINC001107604149	905945019	/nfs/dbraw/zinc/94/50/19/905945019.db2.gz	IDGZCZYXEZMVBU-YLJYHZDGSA-N	1	0	365.518	1.856	20	30		FDEDRO
C[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2)c1cccnc1	ZINC001107611807	905972667	/nfs/dbraw/zinc/97/26/67/905972667.db2.gz	DWDXGYMPYGSFGD-XAUMDUMWSA-N	1	0	369.469	1.186	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3ccc(C)nc3)CCC[C@@H]12	ZINC001107634399	906160290	/nfs/dbraw/zinc/16/02/90/906160290.db2.gz	XKJAWNBMLXOKEX-WIYYLYMNSA-N	1	0	370.497	1.596	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)CCOC)CCC[C@@H]12	ZINC001107638866	906187057	/nfs/dbraw/zinc/18/70/57/906187057.db2.gz	PPLCUTSJLWJTHW-GPMSIDNRSA-N	1	0	351.491	1.322	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N3CCOCC3)CCC[C@@H]12	ZINC001107639938	906191782	/nfs/dbraw/zinc/19/17/82/906191782.db2.gz	GIZRPSBJXXVUEK-SVFBPWRDSA-N	1	0	359.514	1.481	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCS3(=O)=O)CCC[C@@H]12	ZINC001107639178	906192286	/nfs/dbraw/zinc/19/22/86/906192286.db2.gz	ZKCIHCYWCDRUIS-LZLYRXPVSA-N	1	0	354.516	1.891	20	30		FDEDRO
C=CCCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(C)(C)C)CC2	ZINC001107649493	906282225	/nfs/dbraw/zinc/28/22/25/906282225.db2.gz	ZIWATXFVVVWWPL-OXQOHEQNSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCc1ccnn1C)CC2	ZINC001107649280	906283354	/nfs/dbraw/zinc/28/33/54/906283354.db2.gz	PTISJXSHKHRMQX-UYAOXDASSA-N	1	0	360.502	1.916	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CC(C)C)C(N)=O)CCC[C@@H]12	ZINC001107656369	906296549	/nfs/dbraw/zinc/29/65/49/906296549.db2.gz	NTCAFNDUXARDJI-SQGPQFPESA-N	1	0	365.518	1.697	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCCc3ccccc3)C[C@H]2OC)nn1	ZINC001082213812	906300521	/nfs/dbraw/zinc/30/05/21/906300521.db2.gz	FDEPUFPDWQTWGN-IEBWSBKVSA-N	1	0	369.469	1.526	20	30		FDEDRO
C[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2	ZINC001080787810	906315510	/nfs/dbraw/zinc/31/55/10/906315510.db2.gz	UBNMXVINYRIGSR-VQIMIIECSA-N	1	0	355.457	1.710	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1OC	ZINC001082217409	906316893	/nfs/dbraw/zinc/31/68/93/906316893.db2.gz	SGOZZKROXINDFK-MLHJIOFPSA-N	1	0	362.474	1.070	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccnc(N(C)C)c3)C[C@H]2C)cn1	ZINC001080810491	906362830	/nfs/dbraw/zinc/36/28/30/906362830.db2.gz	OVRNGVBQLXYQTF-DNVCBOLYSA-N	1	0	363.465	1.774	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(CC=C)C2=O)C[C@H]1C	ZINC001080851711	906445792	/nfs/dbraw/zinc/44/57/92/906445792.db2.gz	WLQUDQVDUNKMMZ-NSISKUIASA-N	1	0	365.477	1.434	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)Cc3ccccc3F)C2)C1=O	ZINC001080883510	906582754	/nfs/dbraw/zinc/58/27/54/906582754.db2.gz	FIQVJMUEYWEHLR-OLMNPRSZSA-N	1	0	359.445	1.592	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3cc4n(n3)CCC4)C[C@H]2C)CC1	ZINC001080997934	906974347	/nfs/dbraw/zinc/97/43/47/906974347.db2.gz	PMGQBSNDJSJQOH-OXQOHEQNSA-N	1	0	369.513	1.111	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCN2CCCC2=O)C1	ZINC001081096956	907152697	/nfs/dbraw/zinc/15/26/97/907152697.db2.gz	SUNXWDHDYDPJMJ-BPQIPLTHSA-N	1	0	354.454	1.353	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)N2CCCCC2)C1	ZINC001081098908	907168278	/nfs/dbraw/zinc/16/82/78/907168278.db2.gz	NGQSWABTPDSKJB-YTQUADARSA-N	1	0	368.481	1.743	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2nnn(C(C)(C)C)n2)C[C@H]1c1ccccc1	ZINC001081119760	907173935	/nfs/dbraw/zinc/17/39/35/907173935.db2.gz	MNZCETQGAHIUJW-JKSUJKDBSA-N	1	0	354.458	1.812	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C[NH+]1CCCC1	ZINC001082370872	907229947	/nfs/dbraw/zinc/22/99/47/907229947.db2.gz	GMTMTEYQFSVNBL-QZTJIDSGSA-N	1	0	360.433	1.109	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc(C)nc3C2)C[C@H]1c1ccccc1	ZINC001081134054	907234986	/nfs/dbraw/zinc/23/49/86/907234986.db2.gz	MQQSFOYGPKHLIY-HSALFYBXSA-N	1	0	362.477	1.971	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1c1ccccc1	ZINC001081147134	907260753	/nfs/dbraw/zinc/26/07/53/907260753.db2.gz	XNKMVBIXZXJYLW-HCXYKTFWSA-N	1	0	369.465	1.017	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nncs2)CC1	ZINC000997085854	907263215	/nfs/dbraw/zinc/26/32/15/907263215.db2.gz	RLSUUIJKXYKGPO-HOCLYGCPSA-N	1	0	350.488	1.990	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccoc2CC(N)=O)C[C@H]1c1ccccc1	ZINC001081170899	907293531	/nfs/dbraw/zinc/29/35/31/907293531.db2.gz	UNHJWQRTEFKIHH-DLBZAZTESA-N	1	0	351.406	1.138	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C(C)=O)CCO2)C[C@H]1c1ccccc1	ZINC001081219629	907332464	/nfs/dbraw/zinc/33/24/64/907332464.db2.gz	KWBUAGQRSJOZKC-IPMKNSEASA-N	1	0	357.454	1.004	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CN2CCCCCC2=O)C[C@H]1c1ccccc1	ZINC001081224747	907337234	/nfs/dbraw/zinc/33/72/34/907337234.db2.gz	YGQMURUDFCMMBR-RBUKOAKNSA-N	1	0	353.466	1.606	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C)c(C(N)=O)cn2)C[C@H]1c1ccccc1	ZINC001081183293	907358471	/nfs/dbraw/zinc/35/84/71/907358471.db2.gz	HCEIFJZEQQSRCH-PKOBYXMFSA-N	1	0	364.449	1.873	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1c1ccccc1	ZINC001081196877	907377789	/nfs/dbraw/zinc/37/77/89/907377789.db2.gz	ICZDVBDJFBVSCW-VQTJNVASSA-N	1	0	357.498	1.869	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)C[C@H]1c1ccccc1	ZINC001081233000	907434159	/nfs/dbraw/zinc/43/41/59/907434159.db2.gz	LWFYIHUNLWHWNU-KSZLIROESA-N	1	0	356.470	1.690	20	30		FDEDRO
C=CCn1c([C@@H]2CCO[C@@H]2C)nnc1N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1	ZINC000842938811	907653020	/nfs/dbraw/zinc/65/30/20/907653020.db2.gz	LPOLAHHKTMRWQX-YYIAUSFCSA-N	1	0	363.506	1.902	20	30		FDEDRO
CNC(=O)c1cccc(C[NH2+][C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)c1	ZINC001082464913	907900344	/nfs/dbraw/zinc/90/03/44/907900344.db2.gz	QQVWQHJOFGEOAX-FZKQIMNGSA-N	1	0	365.437	1.496	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[C@H]3COC(=O)C3)C[C@H]2C)cc1C#N	ZINC001082474276	907927935	/nfs/dbraw/zinc/92/79/35/907927935.db2.gz	FWDZQUPCLTVUCD-FRFSOERESA-N	1	0	371.437	1.457	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+][C@H]1CCN(C(C)(C)C)C1=O	ZINC001082480262	907948931	/nfs/dbraw/zinc/94/89/31/907948931.db2.gz	SNAKXQSQZRWPEV-UHOFOFEASA-N	1	0	357.458	1.336	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1)n1cncn1	ZINC001082481658	907955752	/nfs/dbraw/zinc/95/57/52/907955752.db2.gz	JBAJHARAMQWQBJ-IIYDPXPESA-N	1	0	356.405	1.487	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2cncnc2)C[C@H]1C	ZINC001082484837	907971367	/nfs/dbraw/zinc/97/13/67/907971367.db2.gz	SRFFPOMHCHELBE-CXAGYDPISA-N	1	0	351.410	1.607	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2ncc[nH]2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082492223	908010983	/nfs/dbraw/zinc/01/09/83/908010983.db2.gz	LLRKNNJNBKFOJN-CXAGYDPISA-N	1	0	355.417	1.990	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)[nH]1	ZINC001082505241	908120373	/nfs/dbraw/zinc/12/03/73/908120373.db2.gz	QCRRGOHQRMSUSH-BDJLRTHQSA-N	1	0	356.405	1.303	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082518430	908203592	/nfs/dbraw/zinc/20/35/92/908203592.db2.gz	PDTBABCNXDKWEV-XHSVMWQWSA-N	1	0	372.444	1.549	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2nnn(C(C)(C)C)n2)C[C@H]1C	ZINC001082525122	908256572	/nfs/dbraw/zinc/25/65/72/908256572.db2.gz	ZTICKOFCDKSVRE-MWLCHTKSSA-N	1	0	371.283	1.387	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCc4ccccc43)C[C@H]2O)nn1	ZINC001077801168	908298967	/nfs/dbraw/zinc/29/89/67/908298967.db2.gz	FVDXBTUNGNQMRA-NZSAHSFTSA-N	1	0	367.453	1.317	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC=CCC2)CC1	ZINC000997357273	908324449	/nfs/dbraw/zinc/32/44/49/908324449.db2.gz	JJGCDYHPVYVNSV-ZRNYENFQSA-N	1	0	369.509	1.936	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(C)co2)CC1	ZINC000997357284	908324610	/nfs/dbraw/zinc/32/46/10/908324610.db2.gz	JMMAPYAMNFLZOQ-SQNIBIBYSA-N	1	0	369.465	1.795	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2ccn(C)n2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082540004	908365828	/nfs/dbraw/zinc/36/58/28/908365828.db2.gz	XOFHGULQSJHRGO-CXAGYDPISA-N	1	0	357.483	1.923	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cccc3n[nH]nc32)C[C@H]1C	ZINC001082529835	908397312	/nfs/dbraw/zinc/39/73/12/908397312.db2.gz	PIPKENFVCOERHF-NOZJJQNGSA-N	1	0	364.247	1.917	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](C)n2nnnc2C(C)(C)C)C[C@H]1C	ZINC001082550696	908499977	/nfs/dbraw/zinc/49/99/77/908499977.db2.gz	UZOGACXLPUAKHY-KGYLQXTDSA-N	1	0	354.886	1.721	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCN(CC=C)C2=O)C1	ZINC001082561873	908630047	/nfs/dbraw/zinc/63/00/47/908630047.db2.gz	XNPXYZOCIDYPNJ-BRWVUGGUSA-N	1	0	356.470	1.511	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn3ccncc23)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082562595	908641925	/nfs/dbraw/zinc/64/19/25/908641925.db2.gz	WYCSDFVICQZNKQ-RDTXWAMCSA-N	1	0	360.421	1.851	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cnc3n[nH]nc3c2)C[C@H]1C	ZINC001082563349	908653163	/nfs/dbraw/zinc/65/31/63/908653163.db2.gz	WUFLKWSEEDBCNB-PRHODGIISA-N	1	0	365.235	1.312	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=C)Br)C1	ZINC001082568128	908706249	/nfs/dbraw/zinc/70/62/49/908706249.db2.gz	ZKEFUKLLPKCPFM-YUELXQCFSA-N	1	0	354.292	1.429	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2F)C1	ZINC001082568093	908706300	/nfs/dbraw/zinc/70/63/00/908706300.db2.gz	XBOAGXSLXPATQI-ZMYBRWDISA-N	1	0	361.436	1.999	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCn3ccnc3C2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082604471	908926348	/nfs/dbraw/zinc/92/63/48/908926348.db2.gz	RHSAJGAFJMFHHQ-ATZDWAIDSA-N	1	0	363.465	1.954	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc(C(N)=O)c2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082598631	908950921	/nfs/dbraw/zinc/95/09/21/908950921.db2.gz	DCNWEWSOQXCFMO-AUUYWEPGSA-N	1	0	362.433	1.907	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCn3cncn3)C2)cc1	ZINC001082600182	908962175	/nfs/dbraw/zinc/96/21/75/908962175.db2.gz	FJUBKWXOXLYGMG-CRAIPNDOSA-N	1	0	355.442	1.593	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccncc3CC)C[C@H]2C)C1=O	ZINC001082606939	909031706	/nfs/dbraw/zinc/03/17/06/909031706.db2.gz	HLAKLUSNYFPTKK-FHLIZLRMSA-N	1	0	356.470	1.481	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn3cccnc3n2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082616896	909073623	/nfs/dbraw/zinc/07/36/23/909073623.db2.gz	GNBUVPJGRCIPCV-RHSMWYFYSA-N	1	0	360.421	1.851	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CCc3cccnc3)C[C@H]2C)C1=O	ZINC001082622721	909138288	/nfs/dbraw/zinc/13/82/88/909138288.db2.gz	MNQGVMFIFSZXCI-KBAYOESNSA-N	1	0	356.470	1.238	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccc(COC)o3)C[C@H]2C)C1=O	ZINC001082631138	909176687	/nfs/dbraw/zinc/17/66/87/909176687.db2.gz	WPCRHAKTZXOCEV-FVQBIDKESA-N	1	0	361.442	1.263	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCCC(=O)N2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082632357	909186035	/nfs/dbraw/zinc/18/60/35/909186035.db2.gz	UECVVAZEBFARPH-ZTFGCOKTSA-N	1	0	354.454	1.554	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)ccc2=O)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082635594	909228394	/nfs/dbraw/zinc/22/83/94/909228394.db2.gz	MFZLIANYNLTJTJ-MLGOLLRUSA-N	1	0	356.451	1.569	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](CCc3ccc(C)cc3)C[C@H]2O)nn1	ZINC001077812406	909232250	/nfs/dbraw/zinc/23/22/50/909232250.db2.gz	FESUCAPXPDIYTA-IEBWSBKVSA-N	1	0	369.469	1.180	20	30		FDEDRO
COc1coc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)cc1=O	ZINC001082644416	909292848	/nfs/dbraw/zinc/29/28/48/909292848.db2.gz	JWFLKNIMZYRCBR-CZUORRHYSA-N	1	0	367.405	1.770	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc(C)c(C)cn3)C[C@H]2C)C1=O	ZINC001082656186	909411461	/nfs/dbraw/zinc/41/14/61/909411461.db2.gz	DNBXNFVNBAJDJD-JFIYKMOQSA-N	1	0	356.470	1.535	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)Cc3cncc(C)c3)C[C@H]2C)C1=O	ZINC001082666139	909457004	/nfs/dbraw/zinc/45/70/04/909457004.db2.gz	AEUDEFAZEJQNCZ-BPQIPLTHSA-N	1	0	356.470	1.156	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3csnn3)C[C@H]2C)cc1C#N	ZINC001082668777	909477404	/nfs/dbraw/zinc/47/74/04/909477404.db2.gz	NYOLGIZHVWKJAS-BXUZGUMPSA-N	1	0	357.439	1.669	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOC2CCCCCC2)C[C@@H]1O	ZINC001083789967	909482455	/nfs/dbraw/zinc/48/24/55/909482455.db2.gz	HRKCLUDLTIODPC-YRXWBPOGSA-N	1	0	366.502	1.478	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)CCn3ccnc3)C[C@H]2C)cc1C#N	ZINC001082673296	909512107	/nfs/dbraw/zinc/51/21/07/909512107.db2.gz	CTVRILOMENIBPQ-CRAIPNDOSA-N	1	0	367.453	1.790	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@H]1C	ZINC001082688565	909578696	/nfs/dbraw/zinc/57/86/96/909578696.db2.gz	FMMPPCGIQKFMKI-XYPHTWIQSA-N	1	0	370.453	1.124	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCS(=O)(=O)CC2)C1	ZINC001082681899	909600852	/nfs/dbraw/zinc/60/08/52/909600852.db2.gz	BAAJDAMPYUAHJF-GDBMZVCRSA-N	1	0	356.532	1.850	20	30		FDEDRO
CC(C)N1C(=O)CC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001082701423	909613511	/nfs/dbraw/zinc/61/35/11/909613511.db2.gz	KCSBXDGGLFUEEL-LZQZEXGQSA-N	1	0	368.481	1.894	20	30		FDEDRO
CC(C)N1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1	ZINC001082702799	909625379	/nfs/dbraw/zinc/62/53/79/909625379.db2.gz	IVYQZCKVPOPVRC-AHRSYUTCSA-N	1	0	370.497	1.604	20	30		FDEDRO
C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(C#N)c[nH]2)CC1	ZINC000997872737	909846920	/nfs/dbraw/zinc/84/69/20/909846920.db2.gz	VJGLKZDAAHXNRX-VYDXJSESSA-N	1	0	355.442	1.090	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H]3CCN(c4cnn(C)c4)C3=O)C2)C1	ZINC001082729625	909860147	/nfs/dbraw/zinc/86/01/47/909860147.db2.gz	PHMDNIBZKJWITD-HYVNUMGLSA-N	1	0	371.485	1.318	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@H]3CCNC(=O)CC3)C2)c1	ZINC001082730322	909865079	/nfs/dbraw/zinc/86/50/79/909865079.db2.gz	OCLBWHXVXMKGQF-QGPMSJSTSA-N	1	0	354.454	1.029	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc(=O)n2C)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082731995	909880274	/nfs/dbraw/zinc/88/02/74/909880274.db2.gz	SQUACRJDUDACFB-CXAGYDPISA-N	1	0	368.412	1.646	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)Cc3cccnc3C)C[C@H]2C)C1=O	ZINC001082739977	909928255	/nfs/dbraw/zinc/92/82/55/909928255.db2.gz	HOCDHDCRISKYJF-ZTFGCOKTSA-N	1	0	356.470	1.156	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ocnc3C(F)F)C[C@H]2C)C1=O	ZINC001082744731	909965922	/nfs/dbraw/zinc/96/59/22/909965922.db2.gz	DCINPHMKKGNZSU-GRYCIOLGSA-N	1	0	368.384	1.449	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccnc(C4CC4)n3)C[C@H]2C)C1=O	ZINC001082778619	910124982	/nfs/dbraw/zinc/12/49/82/910124982.db2.gz	UJHNJXPDUDBMSD-KBRIMQKVSA-N	1	0	369.469	1.191	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)Cc3ccsc3C)C[C@H]2C)C1=O	ZINC001082786162	910159124	/nfs/dbraw/zinc/15/91/24/910159124.db2.gz	XIBIHEXOJQPZBU-XOKHGSTOSA-N	1	0	361.511	1.822	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)nn2)C1	ZINC001082798690	910216195	/nfs/dbraw/zinc/21/61/95/910216195.db2.gz	HJVXWSBHGRQRBE-VUNQQRPYSA-N	1	0	360.458	1.403	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(N)=O)s2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082803535	910229366	/nfs/dbraw/zinc/22/93/66/910229366.db2.gz	GSNXENHVQQOGGH-IUODEOHRSA-N	1	0	368.462	1.969	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+]CC1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1	ZINC000998083835	910314475	/nfs/dbraw/zinc/31/44/75/910314475.db2.gz	MXJXVGHINRGBRW-SJORKVTESA-N	1	0	358.417	1.147	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3ncc[nH]3)C[C@H]2C)cc1C#N	ZINC001082823211	910330637	/nfs/dbraw/zinc/33/06/37/910330637.db2.gz	UDMYANHQRBAHAE-CZUORRHYSA-N	1	0	353.426	1.469	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2cnn(C)c2)C[C@H]1C	ZINC001082830332	910353852	/nfs/dbraw/zinc/35/38/52/910353852.db2.gz	JBUVQJRLDSDSPG-YWPYICTPSA-N	1	0	369.307	1.944	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000272968648	910361010	/nfs/dbraw/zinc/36/10/10/910361010.db2.gz	KOLIGXLYBQUYHG-CRAIPNDOSA-N	1	0	370.453	1.138	20	30		FDEDRO
C=C(Cl)C[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1	ZINC000998117081	910392474	/nfs/dbraw/zinc/39/24/74/910392474.db2.gz	QKVMDMWKJWMBEC-SOUVJXGZSA-N	1	0	357.882	1.475	20	30		FDEDRO
CC(=O)N1CC[C@](C)(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)C1	ZINC001082846801	910426114	/nfs/dbraw/zinc/42/61/14/910426114.db2.gz	KMASSLXRKRBCRE-VMRPVKRXSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnc(C)cn2)C1	ZINC001082850909	910460250	/nfs/dbraw/zinc/46/02/50/910460250.db2.gz	BLYWFHJHNJTHFW-RHSMWYFYSA-N	1	0	367.453	1.995	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2csnn2)CC1	ZINC000998149295	910472143	/nfs/dbraw/zinc/47/21/43/910472143.db2.gz	WKTXLTDGWOPBDN-HOTGVXAUSA-N	1	0	350.488	1.848	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnns2)C1	ZINC001082868956	910509556	/nfs/dbraw/zinc/50/95/56/910509556.db2.gz	GDYWKVTUJZBTKB-IUODEOHRSA-N	1	0	357.439	1.195	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCCCC3)C2)cn1	ZINC001082870183	910517155	/nfs/dbraw/zinc/51/71/55/910517155.db2.gz	GBTDXTRLABJWNH-CRAIPNDOSA-N	1	0	354.454	1.126	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ncccc3Cl)C[C@H]2C)C1=O	ZINC001082873835	910565958	/nfs/dbraw/zinc/56/59/58/910565958.db2.gz	RQQMLXCJHDUFNF-BPLDGKMQSA-N	1	0	362.861	1.572	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCCO[C@@H]3CCOC3)C[C@H]2OC)CCC1	ZINC001212393399	910665298	/nfs/dbraw/zinc/66/52/98/910665298.db2.gz	MRTVZXJBFKQLIH-KZNAEPCWSA-N	1	0	364.486	1.191	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)Cc3cccc(F)c3)C[C@H]2C)C1=O	ZINC001082902345	910782965	/nfs/dbraw/zinc/78/29/65/910782965.db2.gz	JPCHYJCCASFHMN-ZTFGCOKTSA-N	1	0	359.445	1.592	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)Cc3ccccc3OC)C[C@H]2C)C1=O	ZINC001082903791	910795836	/nfs/dbraw/zinc/79/58/36/910795836.db2.gz	GQHHKCWRQCUNEN-KBAYOESNSA-N	1	0	371.481	1.461	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCS2(=O)=O)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082931847	910976797	/nfs/dbraw/zinc/97/67/97/910976797.db2.gz	PCUASCJCJVZCPC-KBRIMQKVSA-N	1	0	361.467	1.072	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)C2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082944562	911059875	/nfs/dbraw/zinc/05/98/75/911059875.db2.gz	BQZIVWBWTJWUQW-ZTFGCOKTSA-N	1	0	354.454	1.363	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(N(C)C)c2)C[C@H]1O	ZINC001077821775	911139847	/nfs/dbraw/zinc/13/98/47/911139847.db2.gz	FZIPMRGEOKQDEV-NMLBUPMWSA-N	1	0	373.497	1.395	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cnn(C)c3C3CC3)C[C@H]2C)C1=O	ZINC001082958554	911147967	/nfs/dbraw/zinc/14/79/67/911147967.db2.gz	IXEPQNKJRINWSM-XOKHGSTOSA-N	1	0	371.485	1.135	20	30		FDEDRO
C#Cc1cncc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)c1	ZINC000998657468	911399612	/nfs/dbraw/zinc/39/96/12/911399612.db2.gz	XSVXYLWOKMLSHS-SQNIBIBYSA-N	1	0	364.449	1.020	20	30		FDEDRO
CO[C@H](Cc1ccccc1)C[N@@H+]1C[C@H]2OCCN(C(=O)C#CC3CC3)[C@H]2C1	ZINC001083077097	911827323	/nfs/dbraw/zinc/82/73/23/911827323.db2.gz	SJQVENTWUODEKL-QHAWAJNXSA-N	1	0	368.477	1.569	20	30		FDEDRO
CO[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C	ZINC001212410083	911834013	/nfs/dbraw/zinc/83/40/13/911834013.db2.gz	NXWKOMBUSYAQRZ-GUDVDZBRSA-N	1	0	356.470	1.214	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CCC[N@H+]2C)nc1	ZINC000998949554	911897624	/nfs/dbraw/zinc/89/76/24/911897624.db2.gz	GNJAFBHSLYRLPF-UBDQQSCGSA-N	1	0	352.438	1.019	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@H+]2CCC[C@H]2C)nc1	ZINC000998953117	911922520	/nfs/dbraw/zinc/92/25/20/911922520.db2.gz	BHUTUOMTSMTKTE-JZGRTCEGSA-N	1	0	366.465	1.409	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)C(C)=C4CCC4)[C@H]3C2)C1=O	ZINC001083078436	911938731	/nfs/dbraw/zinc/93/87/31/911938731.db2.gz	CNJGJEWFAANJQT-FGTMMUONSA-N	1	0	359.470	1.185	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cnc4c3CCCC4)[C@H]2C1	ZINC001083145443	912208697	/nfs/dbraw/zinc/20/86/97/912208697.db2.gz	JDGZSNBQDMEENX-RBUKOAKNSA-N	1	0	358.486	1.640	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[C@H](Cc4ccccc4)O3)[C@H]2C1	ZINC001083145779	912209822	/nfs/dbraw/zinc/20/98/22/912209822.db2.gz	AWMWBCGAZCIGFM-IVAOSVALSA-N	1	0	368.477	1.712	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3nnc(-c4ccco4)n3)[C@@H]2C1	ZINC001084475295	914987168	/nfs/dbraw/zinc/98/71/68/914987168.db2.gz	HGLMQKHXQLQTCK-HUUCEWRRSA-N	1	0	356.430	1.432	20	30		FDEDRO
Cn1cc(OCC(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)cn1	ZINC001084612997	915652116	/nfs/dbraw/zinc/65/21/16/915652116.db2.gz	XHGIVLUGCNQCEK-IEBWSBKVSA-N	1	0	365.437	1.403	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)/C(=C\c2ccccc2)n2nnnc2C)CC1	ZINC000729976776	915900251	/nfs/dbraw/zinc/90/02/51/915900251.db2.gz	ACGPXSUTLMEUHS-NBVRZTHBSA-N	1	0	352.442	1.746	20	30		FDEDRO
C[C@]1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)CCNC1=O	ZINC001084658670	915915277	/nfs/dbraw/zinc/91/52/77/915915277.db2.gz	SAHAXQNQTLEILY-HLIPFELVSA-N	1	0	352.438	1.117	20	30		FDEDRO
C#CCN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1cccc(C)c1	ZINC000730141901	916185352	/nfs/dbraw/zinc/18/53/52/916185352.db2.gz	LRHHDWGZLNWQDH-MRXNPFEDSA-N	1	0	372.494	1.628	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCn3cncn3)C[C@H]21	ZINC001084712695	916443784	/nfs/dbraw/zinc/44/37/84/916443784.db2.gz	SBDFUFZPYGUMLB-XDNAFOTISA-N	1	0	359.474	1.182	20	30		FDEDRO
CCc1cccc(C)c1N=C1NC(=O)C(CC(=O)NCC[NH+](C)C)S1	ZINC000730273613	916495160	/nfs/dbraw/zinc/49/51/60/916495160.db2.gz	WQNNRAVCDPVLQR-CQSZACIVSA-N	1	0	362.499	1.844	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](C[C@H]4CCNC(=O)CC4)C[C@H]32)nc1	ZINC001084783876	917088674	/nfs/dbraw/zinc/08/86/74/917088674.db2.gz	PEWSOPIGMAKYKM-ZHALLVOQSA-N	1	0	366.465	1.126	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)NC3CCN(CC#N)CC3)cc2)CC1	ZINC000730666242	917153345	/nfs/dbraw/zinc/15/33/45/917153345.db2.gz	SPTSXVBGZQZLSE-UHFFFAOYSA-N	1	0	370.501	1.938	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1	ZINC000731125807	917772888	/nfs/dbraw/zinc/77/28/88/917772888.db2.gz	OBZXCRJYEIAXHK-GOSISDBHSA-N	1	0	373.453	1.110	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc1	ZINC000731129458	917775732	/nfs/dbraw/zinc/77/57/32/917775732.db2.gz	KTPAVTBUGJIPRU-GOSISDBHSA-N	1	0	373.453	1.206	20	30		FDEDRO
CC(=NNc1nc2[nH][nH]cc-2c(=O)n1)c1ccc(OCC[NH+](C)C)cc1	ZINC000731157964	917803571	/nfs/dbraw/zinc/80/35/71/917803571.db2.gz	VTTWDLFCFYLQPU-UHFFFAOYSA-N	1	0	355.402	1.209	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ccccc4O)C[C@@H]32)C1=O	ZINC001084892541	918024948	/nfs/dbraw/zinc/02/49/48/918024948.db2.gz	HLKZZMBFEHBYDU-JQHSSLGASA-N	1	0	369.465	1.716	20	30		FDEDRO
Cc1c(C(=O)N2CCC(C#N)CC2)nnn1-c1cccc2c1CC[N@@H+](C)C2	ZINC000731474522	918103738	/nfs/dbraw/zinc/10/37/38/918103738.db2.gz	QUKINQGCCCIARF-UHFFFAOYSA-N	1	0	364.453	1.939	20	30		FDEDRO
Cc1nccnc1C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21	ZINC001084915791	918287697	/nfs/dbraw/zinc/28/76/97/918287697.db2.gz	RQAQDRONMFREPT-QAPCUYQASA-N	1	0	350.426	1.721	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](C[C@H]4CCNC(=O)CC4)[C@H]3C2)[nH]1	ZINC001084921614	918363315	/nfs/dbraw/zinc/36/33/15/918363315.db2.gz	KFWAIVAIWHOASC-RKVPGOIHSA-N	1	0	369.469	1.339	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C[C@@H]21	ZINC001084932225	918483522	/nfs/dbraw/zinc/48/35/22/918483522.db2.gz	MHHTWAJRAPASIX-COXVUDFISA-N	1	0	354.410	1.089	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ccns4)C[C@@H]32)C1=O	ZINC001084951716	918755346	/nfs/dbraw/zinc/75/53/46/918755346.db2.gz	YMQNTQCJFQTNRY-KKUMJFAQSA-N	1	0	360.483	1.466	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC[N@H+](C)C2)cc1	ZINC000731895313	918759257	/nfs/dbraw/zinc/75/92/57/918759257.db2.gz	OERIHCCERGIAHE-OOESYIKTSA-N	1	0	364.471	1.390	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)CCc4c[nH]cn4)C[C@@H]32)C1=O	ZINC001084955166	918781057	/nfs/dbraw/zinc/78/10/57/918781057.db2.gz	JJGWXFZITYOFEC-JQHSSLGASA-N	1	0	371.485	1.052	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)C[C@H]4CCNC4=O)C[C@@H]32)c1	ZINC001084956236	918797394	/nfs/dbraw/zinc/79/73/94/918797394.db2.gz	BQNPBBOVNMMYKQ-QRVBRYPASA-N	1	0	366.465	1.507	20	30		FDEDRO
C#CCOc1ccc(C=NNC(=S)NCCC[NH+](C)C)cc1OCC	ZINC000731931086	918857865	/nfs/dbraw/zinc/85/78/65/918857865.db2.gz	WTMXHLCHECWIMO-UHFFFAOYSA-N	1	0	362.499	1.847	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCC3)[C@H]2C1	ZINC001084959040	918859235	/nfs/dbraw/zinc/85/92/35/918859235.db2.gz	NEWDYLLGPVYACP-AEFFLSMTSA-N	1	0	356.470	1.443	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3c3ncccn3)C[C@@H]21	ZINC001084961917	918870020	/nfs/dbraw/zinc/87/00/20/918870020.db2.gz	GIZHOLTXOWMWJM-SQNIBIBYSA-N	1	0	353.470	1.392	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3coc4c3C(=O)NCCC4)C[C@@H]21	ZINC001084994225	919329316	/nfs/dbraw/zinc/32/93/16/919329316.db2.gz	FKNRAACZKFSSTP-ZBFHGGJFSA-N	1	0	355.438	1.515	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3COCCN3CC(F)F)C[C@@H]21	ZINC001084998221	919385771	/nfs/dbraw/zinc/38/57/71/919385771.db2.gz	AOABLFSFRXMZRX-OWCLPIDISA-N	1	0	357.445	1.451	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)C[C@@H]21	ZINC001084997742	919440419	/nfs/dbraw/zinc/44/04/19/919440419.db2.gz	VTWXXSYDSNBLFX-QAPCUYQASA-N	1	0	369.469	1.834	20	30		FDEDRO
O=C([C@@H]1CCNC1=O)N1CC[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)[C@H]2C1	ZINC001085005136	919503813	/nfs/dbraw/zinc/50/38/13/919503813.db2.gz	IWXULDUODLHODR-QRQLOZEOSA-N	1	0	369.440	1.236	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCO[C@@H](C)C3)[C@H]2C1	ZINC001085004875	919549646	/nfs/dbraw/zinc/54/96/46/919549646.db2.gz	QOSMRTYJRLVGTR-BBWFWOEESA-N	1	0	363.502	1.369	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nccnc4C)[C@H]3C2)c1	ZINC001085028270	919819338	/nfs/dbraw/zinc/81/93/38/919819338.db2.gz	YYLLLZQNWRMOFG-XLIONFOSSA-N	1	0	361.449	1.898	20	30		FDEDRO
C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@H+](C[C@H](O)Cn4cccn4)[C@H]3C2)C1	ZINC001085027377	919833333	/nfs/dbraw/zinc/83/33/33/919833333.db2.gz	FPIDZGBNKQZPHD-SQNIBIBYSA-N	1	0	358.486	1.523	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3c(C)c[nH]c3CC(N)=O)C[C@@H]21	ZINC001085039254	919981900	/nfs/dbraw/zinc/98/19/00/919981900.db2.gz	JAZCNDGNZLDEFK-WBVHZDCISA-N	1	0	358.486	1.854	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CC[C@H]3CC[N@H+](Cc4ccccn4)[C@H]3C2)nn1	ZINC001085053443	920125537	/nfs/dbraw/zinc/12/55/37/920125537.db2.gz	VNSFTIDKIFXPMD-APWZRJJASA-N	1	0	366.469	1.986	20	30		FDEDRO
Cn1ncc(C(=O)N2CC[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)[C@H]3C2)n1	ZINC001085056157	920197055	/nfs/dbraw/zinc/19/70/55/920197055.db2.gz	FZXIYFNCMDROBE-AEFFLSMTSA-N	1	0	350.426	1.423	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCCS(=O)(=O)C3)C[C@@H]21	ZINC001085069573	920437064	/nfs/dbraw/zinc/43/70/64/920437064.db2.gz	TZUQRDNPPXASMZ-ZACQAIPSSA-N	1	0	352.500	1.147	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCCS(=O)(=O)C3)C[C@@H]21	ZINC001085069572	920437702	/nfs/dbraw/zinc/43/77/02/920437702.db2.gz	TZUQRDNPPXASMZ-BBWFWOEESA-N	1	0	352.500	1.147	20	30		FDEDRO
N#Cc1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)Cc4nnc[nH]4)C[C@@H]32)ccc1F	ZINC001085071450	920476129	/nfs/dbraw/zinc/47/61/29/920476129.db2.gz	MEDJLUZDYKDFOQ-PBHICJAKSA-N	1	0	368.416	1.481	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nccnc4C)[C@H]3C2)nc1	ZINC001085078272	920540164	/nfs/dbraw/zinc/54/01/64/920540164.db2.gz	LHGIVQBVMKETOT-XLIONFOSSA-N	1	0	361.449	1.898	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3-n3cnnn3)C[C@@H]21	ZINC001085091030	920776969	/nfs/dbraw/zinc/77/69/69/920776969.db2.gz	YNDIICYBSIYLOE-QAPCUYQASA-N	1	0	350.426	1.222	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)N3CCOCC3)C[C@@H]21	ZINC001085098550	920934385	/nfs/dbraw/zinc/93/43/85/920934385.db2.gz	YAFOHWIQEYFALX-HOJAQTOUSA-N	1	0	361.530	1.986	20	30		FDEDRO
CCc1nnc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C#N)c[nH]2)[nH]1	ZINC001085162171	921905319	/nfs/dbraw/zinc/90/53/19/921905319.db2.gz	FZONJHAWMKQHNM-IACUBPJLSA-N	1	0	355.446	1.959	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)C2CC(F)(F)C2)C1=O	ZINC001085165589	921944876	/nfs/dbraw/zinc/94/48/76/921944876.db2.gz	LMWOAUMVWCSGNW-KFWWJZLASA-N	1	0	355.429	1.836	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCNC(=O)CC2)[nH]1	ZINC001085174345	921971092	/nfs/dbraw/zinc/97/10/92/921971092.db2.gz	RBUWLNYDAKSJHZ-FVQBIDKESA-N	1	0	357.458	1.433	20	30		FDEDRO
CCn1c(C)nnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC001085174714	921994114	/nfs/dbraw/zinc/99/41/14/921994114.db2.gz	PZCLJNQZHQEKTI-HZPDHXFCSA-N	1	0	355.446	1.637	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1cc(S(C)(=O)=O)ccc1Br	ZINC000823674852	921996451	/nfs/dbraw/zinc/99/64/51/921996451.db2.gz	DETUJKMMHNITTE-UHFFFAOYSA-N	1	0	373.272	1.147	20	30		FDEDRO
COC(=O)[C@H](C)C[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N	ZINC000733868846	922127966	/nfs/dbraw/zinc/12/79/66/922127966.db2.gz	CEWLHKANIFEWLX-OCCSQVGLSA-N	1	0	352.394	1.965	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@](C)(CNc3ccncc3C#N)C2)CC[N@@H+]1C	ZINC001065503769	922334757	/nfs/dbraw/zinc/33/47/57/922334757.db2.gz	IUSXQEGRFFHFQX-ILZDJORESA-N	1	0	355.486	1.756	20	30		FDEDRO
Cc1nnc(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(C#N)ccc2F)[nH]1	ZINC001085195062	922349805	/nfs/dbraw/zinc/34/98/05/922349805.db2.gz	GCAOIHICRXCVHD-IAGOWNOFSA-N	1	0	370.432	1.884	20	30		FDEDRO
Cc1nnc(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2F)[nH]1	ZINC001085195296	922352340	/nfs/dbraw/zinc/35/23/40/922352340.db2.gz	RFAZSDYOGAROBJ-IAGOWNOFSA-N	1	0	370.432	1.884	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CCN3c2cncc(C#N)n2)CC[N@@H+]1C	ZINC001066202375	922622634	/nfs/dbraw/zinc/62/26/34/922622634.db2.gz	KQCDBDGEVRKOKA-MXASKKJJSA-N	1	0	354.458	1.258	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cn3c(n2)CCC3)C1=O	ZINC001085203639	922694616	/nfs/dbraw/zinc/69/46/16/922694616.db2.gz	UFOXRHFBLQUKFD-BZUAXINKSA-N	1	0	371.485	1.247	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+][C@]1(CO)CCCN(Cc2ccccc2)C1	ZINC000734000573	922780427	/nfs/dbraw/zinc/78/04/27/922780427.db2.gz	RFWBDAYOACKMLY-OAQYLSRUSA-N	1	0	357.498	1.804	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c(C)ncn2C)C1=O	ZINC001085233727	923012261	/nfs/dbraw/zinc/01/22/61/923012261.db2.gz	JDTVULVGGIAKNS-OAGGEKHMSA-N	1	0	359.474	1.146	20	30		FDEDRO
CN1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)C1=O	ZINC001085237008	923030567	/nfs/dbraw/zinc/03/05/67/923030567.db2.gz	CTPMFBFTCMLVEX-GUDVDZBRSA-N	1	0	368.481	1.944	20	30		FDEDRO
C=CC[C@H](NC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccncc1	ZINC000734667247	923603527	/nfs/dbraw/zinc/60/35/27/923603527.db2.gz	WIBYFMQZEGZMOL-ROUUACIJSA-N	1	0	373.501	1.941	20	30		FDEDRO
Cn1nnc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(F)ccc2C#N)n1	ZINC001085300487	923663530	/nfs/dbraw/zinc/66/35/30/923663530.db2.gz	WFPWPRIPZGINHO-HUUCEWRRSA-N	1	0	357.393	1.052	20	30		FDEDRO
C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)CCC(=O)NC1	ZINC001085304962	923702083	/nfs/dbraw/zinc/70/20/83/923702083.db2.gz	ARIZXJIATZTPIR-DBXWQHBBSA-N	1	0	368.481	1.992	20	30		FDEDRO
C[C@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)CCC(=O)NC1	ZINC001085305510	923705945	/nfs/dbraw/zinc/70/59/45/923705945.db2.gz	ZLNROSIROGHIDS-OPYAIIAOSA-N	1	0	368.481	1.992	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2C(=O)CCC2=O)CC1	ZINC001085320387	923846307	/nfs/dbraw/zinc/84/63/07/923846307.db2.gz	UWQWPRNKECCPRS-IAGOWNOFSA-N	1	0	361.486	1.899	20	30		FDEDRO
CCOCCC[N@@H+]1CCC(N=Nc2ccc(S(N)(=O)=O)cn2)[C@@H](C)C1	ZINC000735227725	924135602	/nfs/dbraw/zinc/13/56/02/924135602.db2.gz	YOWSBGWMGFNQED-ZDUSSCGKSA-N	1	0	369.491	1.265	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nccn2CC)nn1	ZINC001085356807	924180148	/nfs/dbraw/zinc/18/01/48/924180148.db2.gz	PSPSVJQZSDHXOK-HUUCEWRRSA-N	1	0	357.462	1.511	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H](C)c2cnc(C)cn2)nn1	ZINC001085357156	924185871	/nfs/dbraw/zinc/18/58/71/924185871.db2.gz	HAUXVHSMHOOFNL-ARFHVFGLSA-N	1	0	369.473	1.954	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cn(CC)nn1	ZINC001085360384	924219271	/nfs/dbraw/zinc/21/92/71/924219271.db2.gz	BOSRADCOXNOPHG-MLHJIOFPSA-N	1	0	361.490	1.796	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc3c([nH]2)CCC3)C1=O	ZINC001085390683	924410773	/nfs/dbraw/zinc/41/07/73/924410773.db2.gz	RIXPSSXUDSZLPO-KZNAEPCWSA-N	1	0	370.497	1.921	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccn(C)c(=O)c2)nc1	ZINC001085398359	924448145	/nfs/dbraw/zinc/44/81/45/924448145.db2.gz	DBISVFCXJYJCAV-QZTJIDSGSA-N	1	0	364.449	1.592	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccn(C)c(=O)c2)cn1	ZINC001085399257	924452010	/nfs/dbraw/zinc/45/20/10/924452010.db2.gz	ZKWRSCRGRRKGLN-RTBURBONSA-N	1	0	364.449	1.592	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(Cl)no2)C1=O	ZINC001085401316	924473159	/nfs/dbraw/zinc/47/31/59/924473159.db2.gz	IXTKAPWYHLETJK-UPJWGTAASA-N	1	0	366.849	1.746	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)NC(C)(C)C1=O	ZINC001085413465	924531067	/nfs/dbraw/zinc/53/10/67/924531067.db2.gz	VWJWPJSSJYQPAQ-VXGBXAGGSA-N	1	0	356.854	1.086	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC)C[NH+]2CCCC2)c1	ZINC000735811457	924566678	/nfs/dbraw/zinc/56/66/78/924566678.db2.gz	YDKRMEPBGUGOOV-INIZCTEOSA-N	1	0	363.483	1.202	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCN1CCn1cc(Cl)cn1	ZINC001085827124	925256554	/nfs/dbraw/zinc/25/65/54/925256554.db2.gz	IYIJYPKGZNLVMI-OAGGEKHMSA-N	1	0	352.866	1.660	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)CC1	ZINC000740748745	925435129	/nfs/dbraw/zinc/43/51/29/925435129.db2.gz	WYFYDWXVNWYMTM-MRXNPFEDSA-N	1	0	365.543	1.928	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1	ZINC000740882673	925484507	/nfs/dbraw/zinc/48/45/07/925484507.db2.gz	FYCVHDNRUDJMDM-HUUCEWRRSA-N	1	0	352.479	1.984	20	30		FDEDRO
COc1ccc(C[NH2+]Cc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)cc1C#N	ZINC000742368703	926032724	/nfs/dbraw/zinc/03/27/24/926032724.db2.gz	MSTQYJUJLHVZJT-HXUWFJFHSA-N	1	0	364.405	1.911	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)NC1CCN(CC[NH+](C)C)CC1	ZINC000743199757	926291485	/nfs/dbraw/zinc/29/14/85/926291485.db2.gz	OUYQKBVLHZCCMB-UHFFFAOYSA-N	1	0	362.449	1.985	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCN(C(C)C)C2=O)C1	ZINC001086223488	926352987	/nfs/dbraw/zinc/35/29/87/926352987.db2.gz	RZFYAQCUERQUTE-ADHGMGHFSA-N	1	0	363.502	1.461	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1F	ZINC000743949299	926523916	/nfs/dbraw/zinc/52/39/16/926523916.db2.gz	MYMQOBWAFUGJAS-INIZCTEOSA-N	1	0	374.416	1.395	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1C#N	ZINC000743950735	926524469	/nfs/dbraw/zinc/52/44/69/926524469.db2.gz	YKXJUDXXZVIMDL-INIZCTEOSA-N	1	0	370.453	1.565	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000743983290	926539668	/nfs/dbraw/zinc/53/96/68/926539668.db2.gz	VMMJRLDVCUYDIO-LLVKDONJSA-N	1	0	366.368	1.699	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000743983294	926539882	/nfs/dbraw/zinc/53/98/82/926539882.db2.gz	VMMJRLDVCUYDIO-NSHDSACASA-N	1	0	366.368	1.699	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)C1=O	ZINC001086372573	926872126	/nfs/dbraw/zinc/87/21/26/926872126.db2.gz	NGRLQFXBDXHPDI-RPVYPSMYSA-N	1	0	357.498	1.860	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2COCCN2c2nc(C)ccc2C#N)CC[N@@H+]1C	ZINC001066527005	927149712	/nfs/dbraw/zinc/14/97/12/927149712.db2.gz	RAMCLOPUFRAOEV-OKZBNKHCSA-N	1	0	371.485	1.313	20	30		FDEDRO
C=C(C)CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1	ZINC001098439022	927280412	/nfs/dbraw/zinc/28/04/12/927280412.db2.gz	PSXSATBGXLUBRR-YTQUADARSA-N	1	0	366.502	1.289	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)N[C@H](C#N)c2cccc(OC)c2OC)CC1	ZINC000746226598	927677426	/nfs/dbraw/zinc/67/74/26/927677426.db2.gz	ULMBGIZXZORNSB-MRXNPFEDSA-N	1	0	360.458	1.412	20	30		FDEDRO
N#CCn1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)cn1	ZINC000746396324	927943916	/nfs/dbraw/zinc/94/39/16/927943916.db2.gz	ZVNCJNDQRDTHNG-QGZVFWFLSA-N	1	0	372.473	1.506	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccncc1	ZINC000746432090	927979245	/nfs/dbraw/zinc/97/92/45/927979245.db2.gz	DVIWLQLIGJIANB-HNNXBMFYSA-N	1	0	356.430	1.212	20	30		FDEDRO
COc1cc(C#N)cc(-n2nnc(-c3cccc(C[NH3+])c3)n2)c1OC(C)=O	ZINC001168885355	928164988	/nfs/dbraw/zinc/16/49/88/928164988.db2.gz	ZBEVHCPQKXBEFJ-UHFFFAOYSA-N	1	0	364.365	1.594	20	30		FDEDRO
C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CC(C)(C)S	ZINC001169178418	928340358	/nfs/dbraw/zinc/34/03/58/928340358.db2.gz	XACRBLBWJHCQEP-GFCCVEGCSA-N	1	0	367.519	1.291	20	30		FDEDRO
C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CC[C@@](C)(C#N)C1	ZINC001169218197	928348915	/nfs/dbraw/zinc/34/89/15/928348915.db2.gz	NLPLCNNGDWCCSF-KUHUBIRLSA-N	1	0	372.473	1.228	20	30		FDEDRO
CCOC(=O)c1cc(C#N)c(C)nc1NCc1ncn2c1C[NH2+]CCC2	ZINC001169237807	928365426	/nfs/dbraw/zinc/36/54/26/928365426.db2.gz	QEFGAYYLICEVCF-UHFFFAOYSA-N	1	0	354.414	1.740	20	30		FDEDRO
N#Cc1c2c(cn(CN3CCC(CC[NH+]4CCOCC4)CC3)c1=O)CCC2	ZINC000766636239	928369420	/nfs/dbraw/zinc/36/94/20/928369420.db2.gz	FFYJVULGKFOXCA-UHFFFAOYSA-N	1	0	370.497	1.600	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)Cc2ncc[nH]2)[C@@H](n2ccnn2)C1	ZINC001129342251	928863006	/nfs/dbraw/zinc/86/30/06/928863006.db2.gz	HDPCBOVFYMOFID-CVEARBPZSA-N	1	0	359.478	1.556	20	30		FDEDRO
C=CCCC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3OCC[C@H]3C(C)C)CC2=O)C1	ZINC001108545347	928904725	/nfs/dbraw/zinc/90/47/25/928904725.db2.gz	UDLODVBUAACETC-AYBZRNKSSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=CCCCCC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3OCC[C@H]3C)CC2=O)C1	ZINC001108573016	928937236	/nfs/dbraw/zinc/93/72/36/928937236.db2.gz	LKKICHZZESWKGG-GJYPPUQNSA-N	1	0	363.502	1.559	20	30		FDEDRO
N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)C1CCCCC1	ZINC001108952223	929568186	/nfs/dbraw/zinc/56/81/86/929568186.db2.gz	RGNFDNMXJQZSHD-QZWWFDLISA-N	1	0	351.516	1.906	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CCCC)NC(N)=O)C2	ZINC001111500437	929705817	/nfs/dbraw/zinc/70/58/17/929705817.db2.gz	GWSQTPVIZDFRLW-FPCVCCKLSA-N	1	0	352.479	1.138	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccncc1OC(C)C)C2	ZINC001109548947	929732290	/nfs/dbraw/zinc/73/22/90/929732290.db2.gz	BKQCYMLKLOHZJK-NJAFHUGGSA-N	1	0	357.454	1.854	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]([C@@H](O)c3nccn3C)C2)CC1	ZINC000770022056	929803273	/nfs/dbraw/zinc/80/32/73/929803273.db2.gz	ZRIUKHHULSNCLD-DOTOQJQBSA-N	1	0	361.490	1.526	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCNC(=O)C1)C2	ZINC001109590935	929878592	/nfs/dbraw/zinc/87/85/92/929878592.db2.gz	IRZYQPWZKLOTRE-IKGGRYGDSA-N	1	0	350.507	1.110	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCS(=O)(=O)N(C)C)C1	ZINC001109697241	930141765	/nfs/dbraw/zinc/14/17/65/930141765.db2.gz	WPPNSSDYWHFGGM-PMPSAXMXSA-N	1	0	369.531	1.346	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C2	ZINC001109765303	930361462	/nfs/dbraw/zinc/36/14/62/930361462.db2.gz	VFDGNTNQUUNEOD-WCVJEAGWSA-N	1	0	359.536	1.616	20	30		FDEDRO
CC(=NNC[C@H](C)C#N)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1	ZINC000771097598	930453066	/nfs/dbraw/zinc/45/30/66/930453066.db2.gz	IFRNDPLIOXYOJJ-CQSZACIVSA-N	1	0	365.503	1.390	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC(C)C	ZINC001109806079	930467153	/nfs/dbraw/zinc/46/71/53/930467153.db2.gz	NKYAYTIVMDZZQP-OWSLCNJRSA-N	1	0	351.491	1.604	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCCC	ZINC001109805446	930497508	/nfs/dbraw/zinc/49/75/08/930497508.db2.gz	AGLZNXSRFOSEHF-HCXYKTFWSA-N	1	0	365.518	1.996	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O)C2	ZINC001109876379	930673456	/nfs/dbraw/zinc/67/34/56/930673456.db2.gz	INCQJDRMKRNZDQ-OYNZBZHQSA-N	1	0	360.458	1.815	20	30		FDEDRO
C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C#N)c(F)c1	ZINC001109977552	930935944	/nfs/dbraw/zinc/93/59/44/930935944.db2.gz	ONNJNEKIWHQBQD-NEWSRXKRSA-N	1	0	374.460	1.497	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)N(C)c2ccccc2C(=O)OC)CC1	ZINC000772110236	931079850	/nfs/dbraw/zinc/07/98/50/931079850.db2.gz	OVEYXLXBUOFXRS-UHFFFAOYSA-N	1	0	372.421	1.324	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)NCCc2ccccc2C)CC1	ZINC000772111381	931080187	/nfs/dbraw/zinc/08/01/87/931080187.db2.gz	ZTTVEINYKVLYSF-QGZVFWFLSA-N	1	0	356.466	1.931	20	30		FDEDRO
CCC[C@@H](NC(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1	ZINC001110037359	931179101	/nfs/dbraw/zinc/17/91/01/931179101.db2.gz	LOODHXGSNMKVGQ-BDXSIMOUSA-N	1	0	369.469	1.617	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cc[nH]c(=O)c2Br)CC1	ZINC000772298416	931183398	/nfs/dbraw/zinc/18/33/98/931183398.db2.gz	DWJBNAWXSBAHRB-UHFFFAOYSA-N	1	0	352.232	1.767	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CS(=O)(=O)N(C)C)C2	ZINC001110050248	931234735	/nfs/dbraw/zinc/23/47/35/931234735.db2.gz	WERWRRGGZGJYNW-PMPSAXMXSA-N	1	0	357.520	1.346	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(S(C)(=O)=O)CCCC1)C2	ZINC001112545003	931425200	/nfs/dbraw/zinc/42/52/00/931425200.db2.gz	JLEIKOBASUVROL-RDJZCZTQSA-N	1	0	352.500	1.195	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)CC1CCCC1)C2	ZINC001112546098	931434805	/nfs/dbraw/zinc/43/48/05/931434805.db2.gz	SSJVMORXCWHYME-RXVVDRJESA-N	1	0	359.514	1.925	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1nc[nH]n1)C2	ZINC001112548819	931473121	/nfs/dbraw/zinc/47/31/21/931473121.db2.gz	TXKKNFNNDWBKSS-FZMZJTMJSA-N	1	0	354.252	1.545	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C)nc3c1cnn3C)C2	ZINC001112552310	931528714	/nfs/dbraw/zinc/52/87/14/931528714.db2.gz	RESWJUMLLARXCS-YWZLYKJASA-N	1	0	351.454	1.742	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@@H](C)O)C1	ZINC001112560357	931571414	/nfs/dbraw/zinc/57/14/14/931571414.db2.gz	TWLDOSZCHXBFRP-GUXCAODWSA-N	1	0	359.470	1.859	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCn1nc(C)nc1C)C2	ZINC001112560573	931574903	/nfs/dbraw/zinc/57/49/03/931574903.db2.gz	FOYXRPGGVGXAAS-ICSRJNTNSA-N	1	0	357.502	1.917	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn([C@@H]3CCOC3)nn1)C2	ZINC001112559158	931583022	/nfs/dbraw/zinc/58/30/22/931583022.db2.gz	LSSVFVVOEBDNTC-FCEWJHQRSA-N	1	0	357.458	1.095	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c[nH]nc1-c1cnn(C)c1)C2	ZINC001112561270	931586921	/nfs/dbraw/zinc/58/69/21/931586921.db2.gz	OVQKXUQUOPWCDH-JXFKEZNVSA-N	1	0	366.469	1.665	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc(NC(=O)NC)c1)C2	ZINC001112563090	931599151	/nfs/dbraw/zinc/59/91/51/931599151.db2.gz	FEHSNUULMYCGSI-JXFKEZNVSA-N	1	0	354.454	1.903	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N3CCC3)C2)nc1	ZINC001112565681	931614706	/nfs/dbraw/zinc/61/47/06/931614706.db2.gz	NPWFZMIOOUCRKD-UWJYYQICSA-N	1	0	366.465	1.127	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(-n3cnnn3)cc1)C2	ZINC001112574470	931684800	/nfs/dbraw/zinc/68/48/00/931684800.db2.gz	JWNCQRSEVWFQLO-LPHOPBHVSA-N	1	0	352.442	1.680	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCS1(=O)=O)C2	ZINC001112582428	931749225	/nfs/dbraw/zinc/74/92/25/931749225.db2.gz	WPVMDXZMROTBBN-JZXOWHBKSA-N	1	0	354.516	1.748	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)COC(=O)CC1([NH+]2CCOCC2)CCCC1	ZINC000786098216	931749494	/nfs/dbraw/zinc/74/94/94/931749494.db2.gz	WHKPHPDMHUFKOP-INIZCTEOSA-N	1	0	365.474	1.573	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C1CC1)N1CCOCC1)C2	ZINC001112582867	931750601	/nfs/dbraw/zinc/75/06/01/931750601.db2.gz	SFPBVFIYSRJXPD-ZJOUEHCJSA-N	1	0	359.514	1.339	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)NC(=O)c1ccco1)C2	ZINC001112582616	931750744	/nfs/dbraw/zinc/75/07/44/931750744.db2.gz	HBFRNYGNHYFETG-FTRWYGJKSA-N	1	0	357.454	1.640	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCN1C(=O)C(C)C)C2	ZINC001112580962	931763368	/nfs/dbraw/zinc/76/33/68/931763368.db2.gz	OERJUOZFZHECCR-UEXGIBASSA-N	1	0	359.514	1.875	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC(=O)N(C)C1)C2	ZINC001112586262	931771932	/nfs/dbraw/zinc/77/19/32/931771932.db2.gz	QGLVUCJSGAGCMR-UWVAXJGDSA-N	1	0	363.502	1.276	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](c1cccnc1)N(C)C)C2	ZINC001112586499	931776849	/nfs/dbraw/zinc/77/68/49/931776849.db2.gz	CJGUKOGZPIOYAW-ZJOUEHCJSA-N	1	0	354.498	1.926	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H](C)NC(=O)C1CCCC1)C2	ZINC001112591926	931823560	/nfs/dbraw/zinc/82/35/60/931823560.db2.gz	MOYSTXAVNUDTMG-MDKPJZGXSA-N	1	0	359.514	1.923	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C(N)=O)ccn1)C2	ZINC001112594394	931863945	/nfs/dbraw/zinc/86/39/45/931863945.db2.gz	MSYIPFZLFDDQDQ-KSSFIOAISA-N	1	0	362.861	1.765	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCCCS(N)(=O)=O)C2	ZINC001112595354	931893638	/nfs/dbraw/zinc/89/36/38/931893638.db2.gz	OWPRKLXWEIYHCO-RDJZCZTQSA-N	1	0	357.520	1.240	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)c1nnn(Cc2noc(C)n2)c1C	ZINC000786468673	931921316	/nfs/dbraw/zinc/92/13/16/931921316.db2.gz	ZFVKAPVOMJHTBB-LBPRGKRZSA-N	1	0	360.418	1.217	20	30		FDEDRO
C[C@H](OC(=O)c1c[nH]c(C#N)c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000786906139	932085770	/nfs/dbraw/zinc/08/57/70/932085770.db2.gz	CZOWEBORENTGGZ-WMLDXEAASA-N	1	0	366.421	1.822	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000787138630	932190268	/nfs/dbraw/zinc/19/02/68/932190268.db2.gz	NXRJJDFYVYOJLM-GOSISDBHSA-N	1	0	365.518	1.951	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CCCO1	ZINC000787752823	932388094	/nfs/dbraw/zinc/38/80/94/932388094.db2.gz	VQLCYNGHQVUSDS-IPMKNSEASA-N	1	0	369.465	1.237	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1C#N	ZINC000787753567	932388642	/nfs/dbraw/zinc/38/86/42/932388642.db2.gz	YZQMHXUOAVYSJV-AWEZNQCLSA-N	1	0	358.442	1.174	20	30		FDEDRO
C#C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(OC)c1)[C@@H]1CCCO1	ZINC000790501903	933581301	/nfs/dbraw/zinc/58/13/01/933581301.db2.gz	KFXCJACSTIBPAS-MOPGFXCFSA-N	1	0	359.470	1.949	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C1	ZINC001086588367	933609009	/nfs/dbraw/zinc/60/90/09/933609009.db2.gz	REDUSGHRANGFDR-DLBZAZTESA-N	1	0	369.465	1.542	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1	ZINC001086593462	933835234	/nfs/dbraw/zinc/83/52/34/933835234.db2.gz	YIGLUJIPGQKJKK-FUHWJXTLSA-N	1	0	352.438	1.554	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1	ZINC001086595263	933885136	/nfs/dbraw/zinc/88/51/36/933885136.db2.gz	TZJAINDHFSRCHU-GSEOLPGOSA-N	1	0	357.498	1.866	20	30		FDEDRO
C[N@@H+]1CC[C@]2(CCN(CN3C(=O)N[C@@](C)(c4cccc(C#N)c4)C3=O)C2)C1	ZINC000793762997	934251168	/nfs/dbraw/zinc/25/11/68/934251168.db2.gz	CKUSPAYBWBXFLK-PMACEKPBSA-N	1	0	367.453	1.310	20	30		FDEDRO
CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NCc2ccc(C#N)cc2F)CC1	ZINC000793738702	934259937	/nfs/dbraw/zinc/25/99/37/934259937.db2.gz	STCFTRJPWPLTGI-UHFFFAOYSA-N	1	0	360.433	1.693	20	30		FDEDRO
C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCc3n[nH]nc3C2)C1	ZINC001086619119	938353915	/nfs/dbraw/zinc/35/39/15/938353915.db2.gz	ABYNEUYGEZCGFE-JTDSTZFVSA-N	1	0	351.454	1.680	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1	ZINC001086619313	938354632	/nfs/dbraw/zinc/35/46/32/938354632.db2.gz	JSFKUIQRIRTFHE-DLBZAZTESA-N	1	0	370.453	1.041	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC/C=C\CC)C[C@@H]2n2ccnn2)cn1	ZINC001129396484	938402234	/nfs/dbraw/zinc/40/22/34/938402234.db2.gz	FLNPDGXKRPXOQF-WYNBNGFRSA-N	1	0	364.453	1.666	20	30		FDEDRO
CCCCCCCCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1	ZINC001129400256	938414682	/nfs/dbraw/zinc/41/46/82/938414682.db2.gz	AJPDKJXOAATUMN-SJORKVTESA-N	1	0	351.495	1.753	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)COc2cccc(F)c2)[C@@H](n2ccnn2)C1	ZINC001129445858	938418784	/nfs/dbraw/zinc/41/87/84/938418784.db2.gz	XNSPYRQDGFCXMP-SJORKVTESA-N	1	0	359.405	1.414	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](n2ccnn2)C1	ZINC001129453817	938421105	/nfs/dbraw/zinc/42/11/05/938421105.db2.gz	KONRWNDUHQFBDT-CVEARBPZSA-N	1	0	366.897	1.248	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cncnc2CC)[C@@H](n2ccnn2)C1	ZINC001129437671	938424838	/nfs/dbraw/zinc/42/48/38/938424838.db2.gz	DGOBFFOMMDVZFD-QGTPRVQTSA-N	1	0	369.473	1.641	20	30		FDEDRO
C#CC[C@H](CC(=O)N[C@@H]1C[N@@H+](CC)C[C@@H]1n1ccnn1)c1ccccc1	ZINC001129496106	938444088	/nfs/dbraw/zinc/44/40/88/938444088.db2.gz	FOYNKBSMIRWTJB-QRVBRYPASA-N	1	0	351.454	1.837	20	30		FDEDRO
O=C(C1CC1)N1C[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)[C@@H](n2ccnn2)C1	ZINC001129511270	938447159	/nfs/dbraw/zinc/44/71/59/938447159.db2.gz	MHJKBEPDXVJPIO-MSOLQXFVSA-N	1	0	369.856	1.735	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CCN(C(C)=O)CC2)C1	ZINC001086623338	938450111	/nfs/dbraw/zinc/45/01/11/938450111.db2.gz	ZCZAORCDRNAXOA-LEWJYISDSA-N	1	0	367.493	1.852	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C)nc2C)[C@@H](n2ccnn2)C1	ZINC001129666554	938478408	/nfs/dbraw/zinc/47/84/08/938478408.db2.gz	AQFXMSCJLZOBGG-MSOLQXFVSA-N	1	0	354.458	1.798	20	30		FDEDRO
CCCOCC(=O)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129655834	938482792	/nfs/dbraw/zinc/48/27/92/938482792.db2.gz	HQNZWEMPEKPNEB-MOPGFXCFSA-N	1	0	367.453	1.098	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccnc(F)c2)C[C@@H]1n1ccnn1	ZINC001129656770	938483267	/nfs/dbraw/zinc/48/32/67/938483267.db2.gz	UUDGTCSDMAYPSB-IMJJTQAJSA-N	1	0	358.421	1.822	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]CCCOc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129689772	938485955	/nfs/dbraw/zinc/48/59/55/938485955.db2.gz	ATIHVDBHJBEURA-NXHRZFHOSA-N	1	0	368.441	1.248	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H]([NH2+]CC2CCCC2)[C@@H](n2ccnn2)C1	ZINC001129732846	938496350	/nfs/dbraw/zinc/49/63/50/938496350.db2.gz	HPQOEDWJDJIZHI-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
CC/C=C/CC[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1n1ccnn1	ZINC001129737437	938497405	/nfs/dbraw/zinc/49/74/05/938497405.db2.gz	OUMOCUMZIDSWNG-YRLOJYSSSA-N	1	0	353.430	1.489	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cc(C)c(C)o2)C[C@@H]1n1ccnn1	ZINC001129741594	938504466	/nfs/dbraw/zinc/50/44/66/938504466.db2.gz	DVSOCFLUVKNTOO-CVEARBPZSA-N	1	0	359.430	1.346	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H]([NH2+]CCCOC(C)C)[C@@H](n2ccnn2)C1	ZINC001129777975	938513722	/nfs/dbraw/zinc/51/37/22/938513722.db2.gz	GXUQXOWTCLKWJZ-MSOLQXFVSA-N	1	0	361.490	1.628	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NCC[NH2+]CC#Cc1ccc(C(F)(F)F)cc1	ZINC001129806756	938517613	/nfs/dbraw/zinc/51/76/13/938517613.db2.gz	PIBBOWABIQTDJK-BBRMVZONSA-N	1	0	370.371	1.567	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1	ZINC001129822285	938522199	/nfs/dbraw/zinc/52/21/99/938522199.db2.gz	OGXYVCUUJXEMGQ-SJORKVTESA-N	1	0	352.442	1.264	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCCO2)[C@@H](n2ccnn2)C1	ZINC001129825126	938522966	/nfs/dbraw/zinc/52/29/66/938522966.db2.gz	MJWLMFFWUXOXRJ-ZACQAIPSSA-N	1	0	359.474	1.238	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2nc(C(C)C)oc2C)C[C@@H]1n1ccnn1	ZINC001129829706	938523668	/nfs/dbraw/zinc/52/36/68/938523668.db2.gz	NBKDRUVKEFGAPQ-CABCVRRESA-N	1	0	356.430	1.377	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2ccccc2C)[C@@H](n2ccnn2)C1	ZINC001129829745	938523731	/nfs/dbraw/zinc/52/37/31/938523731.db2.gz	NUWSRVDVXPBNIK-UHOSZYNNSA-N	1	0	367.453	1.167	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COc2cc(C)ccc2F)C[C@@H]1n1ccnn1	ZINC001129844631	938525245	/nfs/dbraw/zinc/52/52/45/938525245.db2.gz	HFMSXBNSOKIFPG-SJORKVTESA-N	1	0	371.416	1.169	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ncnc3sccc32)C[C@@H]1n1ccnn1	ZINC001129849937	938527051	/nfs/dbraw/zinc/52/70/51/938527051.db2.gz	CULQQIFNHGYASV-KGLIPLIRSA-N	1	0	369.454	1.514	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C(C)(C)C)cn2)C[C@@H]1n1ccnn1	ZINC001129850331	938527329	/nfs/dbraw/zinc/52/73/29/938527329.db2.gz	XYTLNWMDURMLBG-MSOLQXFVSA-N	1	0	366.469	1.649	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@H](OCC)C2=CCCC2)C[C@@H]1n1ccnn1	ZINC001129850329	938527401	/nfs/dbraw/zinc/52/74/01/938527401.db2.gz	XVUKSBGSDWAKLX-SQNIBIBYSA-N	1	0	359.474	1.711	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2ccn(CC)n2)C[C@@H]1n1ccnn1	ZINC001129857822	938529656	/nfs/dbraw/zinc/52/96/56/938529656.db2.gz	GDGPYUSQAIKCAK-JQHSSLGASA-N	1	0	371.489	1.433	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1	ZINC001129866508	938531179	/nfs/dbraw/zinc/53/11/79/938531179.db2.gz	DAAKZZNGFHIIGY-MOPGFXCFSA-N	1	0	366.469	1.983	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]CCC2CCOCC2)[C@@H](n2ccnn2)C1	ZINC001129834198	938533401	/nfs/dbraw/zinc/53/34/01/938533401.db2.gz	PMPMUEBHAGBRIA-MSOLQXFVSA-N	1	0	359.474	1.240	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)n(C)n2)C[C@@H]1n1ccnn1	ZINC001129837570	938535045	/nfs/dbraw/zinc/53/50/45/938535045.db2.gz	FXIXKGIUIOLDEP-AEFFLSMTSA-N	1	0	371.489	1.757	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H]([NH2+]CC=C(C)C)[C@@H](n2ccnn2)C1)OCC	ZINC001129878719	938536113	/nfs/dbraw/zinc/53/61/13/938536113.db2.gz	BECUZKUVQMXCHM-SQNIBIBYSA-N	1	0	361.490	1.957	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H]([NH2+]C[C@@H](OCC)C2CC2)[C@@H](n2ccnn2)C1	ZINC001129881517	938537418	/nfs/dbraw/zinc/53/74/18/938537418.db2.gz	LTXQNCPPVBHQOI-FGTMMUONSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCC3)C[C@@H]1n1ccnn1	ZINC001129881768	938537715	/nfs/dbraw/zinc/53/77/15/938537715.db2.gz	RKDIRKAEKIEVKB-QGTPRVQTSA-N	1	0	369.473	1.431	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H]([NH2+][C@H](CCCC)C(N)=O)[C@@H](n2ccnn2)C1	ZINC001129881863	938537937	/nfs/dbraw/zinc/53/79/37/938537937.db2.gz	VYTMKSVNZDCHOZ-OAGGEKHMSA-N	1	0	362.478	1.020	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnn3c2CCC3)C[C@@H]1n1ccnn1	ZINC001129892265	938542908	/nfs/dbraw/zinc/54/29/08/938542908.db2.gz	OTKDXPILRQBGBY-LESCRADOSA-N	1	0	369.473	1.431	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2F)C[C@@H]1n1ccnn1	ZINC001129867827	938544308	/nfs/dbraw/zinc/54/43/08/938544308.db2.gz	YBEXHPMZUQVIDR-OIISXLGYSA-N	1	0	371.416	1.250	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC23CC3)C[C@@H]1n1ccnn1	ZINC001129907075	938549080	/nfs/dbraw/zinc/54/90/80/938549080.db2.gz	PNLKWBAHIGIQDD-ZACQAIPSSA-N	1	0	359.474	1.403	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc3nc[nH]c3n2)C[C@@H]1n1ccnn1	ZINC001129910414	938549847	/nfs/dbraw/zinc/54/98/47/938549847.db2.gz	RYPDMFPIPMSBIQ-CVEARBPZSA-N	1	0	366.429	1.171	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2ccncc2)C[C@@H]1n1ccnn1	ZINC001129910419	938549849	/nfs/dbraw/zinc/54/98/49/938549849.db2.gz	SEOJNRCBWCOAKR-JQHSSLGASA-N	1	0	352.442	1.232	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(C)onc2C2CC2)C[C@@H]1n1ccnn1	ZINC001129936711	938564282	/nfs/dbraw/zinc/56/42/82/938564282.db2.gz	LJXIMHVBAASKKQ-CABCVRRESA-N	1	0	356.430	1.683	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3cncn3C2)C[C@@H]1n1ccnn1	ZINC001129918928	938567576	/nfs/dbraw/zinc/56/75/76/938567576.db2.gz	MHIWSBJVHCTZOD-NXHRZFHOSA-N	1	0	369.473	1.045	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccnc(C3CC3)c2)C[C@@H]1n1ccnn1	ZINC001129923488	938569260	/nfs/dbraw/zinc/56/92/60/938569260.db2.gz	FFCZQFHTDBVFSX-MSOLQXFVSA-N	1	0	350.426	1.229	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(Cl)cn2C)C[C@@H]1n1ccnn1	ZINC001129927153	938571300	/nfs/dbraw/zinc/57/13/00/938571300.db2.gz	OPNKAEYQQLWAME-ZBFHGGJFSA-N	1	0	362.865	1.892	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2cc(C)ccc2OC)C[C@@H]1n1ccnn1	ZINC001129928581	938571912	/nfs/dbraw/zinc/57/19/12/938571912.db2.gz	AHWAHKHCVGZZST-MSOLQXFVSA-N	1	0	367.453	1.203	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C[C@@H]1n1ccnn1	ZINC001129930287	938572699	/nfs/dbraw/zinc/57/26/99/938572699.db2.gz	BMRSNJYCBXJHQC-MLHJIOFPSA-N	1	0	359.474	1.258	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(Cl)c(Cl)[nH]2)C[C@@H]1n1ccnn1	ZINC001129952502	938575655	/nfs/dbraw/zinc/57/56/55/938575655.db2.gz	XUOLEQNIUWHKQE-OLZOCXBDSA-N	1	0	367.240	1.592	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@](C)(C=C)CCOC)C[C@@H]1n1ccnn1	ZINC001129954648	938576658	/nfs/dbraw/zinc/57/66/58/938576658.db2.gz	XZCQBPZRZBEIRI-ZIFCJYIRSA-N	1	0	361.490	1.815	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C(C)(C)C(C)(C)C)C[C@@H]1n1ccnn1	ZINC001129963934	938579596	/nfs/dbraw/zinc/57/95/96/938579596.db2.gz	NMEPKIGRIIUVDS-CVEARBPZSA-N	1	0	363.506	1.895	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H]([NH2+]CCCCOC)[C@@H](n3ccnn3)C2)CC1	ZINC001129994485	938603251	/nfs/dbraw/zinc/60/32/51/938603251.db2.gz	QOKQAAQRMGTEOS-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]([NH2+]Cc3cccnc3)[C@@H](n3ccnn3)C2)CCC1	ZINC001129995775	938604492	/nfs/dbraw/zinc/60/44/92/938604492.db2.gz	ILJISNXVIFMHCB-MSOLQXFVSA-N	1	0	366.469	1.961	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2(CCCC)CC2)C[C@@H]1n1ccnn1	ZINC001130003022	938605575	/nfs/dbraw/zinc/60/55/75/938605575.db2.gz	ZJKRGLJWXKPWGW-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H]([NH2+]CC#CCOC)[C@@H](n3ccnn3)C2)CC1	ZINC001129999363	938607125	/nfs/dbraw/zinc/60/71/25/938607125.db2.gz	YMRNHNYEZJRNEZ-SJORKVTESA-N	1	0	357.458	1.016	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(C(F)F)n[nH]2)C[C@@H]1n1ccnn1	ZINC001130000980	938608341	/nfs/dbraw/zinc/60/83/41/938608341.db2.gz	YSNDGUAYMMNOJC-KGLIPLIRSA-N	1	0	365.388	1.560	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(C)C)cn2)C[C@@H]1n1ccnn1	ZINC001130014097	938615172	/nfs/dbraw/zinc/61/51/72/938615172.db2.gz	BAZXZOZMACPDKE-MSOLQXFVSA-N	1	0	352.442	1.475	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2nn(C)c3c2CCCC3)C[C@@H]1n1ccnn1	ZINC001130014975	938616543	/nfs/dbraw/zinc/61/65/43/938616543.db2.gz	KOGWDZJWEUYOBX-WBVHZDCISA-N	1	0	369.473	1.122	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2ccccc2F)C[C@@H]1n1ccnn1	ZINC001130005636	938622631	/nfs/dbraw/zinc/62/26/31/938622631.db2.gz	ASNNSGQMBYRPIG-LZQZEXGQSA-N	1	0	369.444	1.661	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2ccccc2F)C[C@@H]1n1ccnn1	ZINC001130005635	938622659	/nfs/dbraw/zinc/62/26/59/938622659.db2.gz	ASNNSGQMBYRPIG-IPELMVKDSA-N	1	0	369.444	1.661	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2[nH]c(C)nc2C)C[C@@H]1n1ccnn1	ZINC001130009648	938626466	/nfs/dbraw/zinc/62/64/66/938626466.db2.gz	ZHQQNZBRXUYAAC-MAZHCROVSA-N	1	0	357.462	1.628	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2c(C)noc2C)C[C@@H]1n1ccnn1	ZINC001130040810	938627218	/nfs/dbraw/zinc/62/72/18/938627218.db2.gz	MNGRODROVHFKFH-MAZHCROVSA-N	1	0	356.430	1.051	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2cccs2)C[C@@H]1n1ccnn1	ZINC001130026633	938629500	/nfs/dbraw/zinc/62/95/00/938629500.db2.gz	WXZDTXVNFKNXDM-OIISXLGYSA-N	1	0	357.483	1.583	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C23CCC(CC2)C3(C)C)C[C@@H]1n1ccnn1	ZINC001130032566	938633392	/nfs/dbraw/zinc/63/33/92/938633392.db2.gz	HUZHFVUQESYWTA-RXCRORICSA-N	1	0	355.486	1.859	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc([C@H](C)CC)no2)C[C@@H]1n1ccnn1	ZINC001130032764	938633455	/nfs/dbraw/zinc/63/34/55/938633455.db2.gz	MAKKXNFOOXUFBL-BMFZPTHFSA-N	1	0	356.430	1.458	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2oc(C(C)C)nc2C)C[C@@H]1n1ccnn1	ZINC001130033211	938633732	/nfs/dbraw/zinc/63/37/32/938633732.db2.gz	YCNSTWHTTRIYAB-CABCVRRESA-N	1	0	356.430	1.377	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1	ZINC001086628584	938646294	/nfs/dbraw/zinc/64/62/94/938646294.db2.gz	NXXHVFSEQSUXHE-PKOBYXMFSA-N	1	0	362.433	1.402	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1	ZINC001086628617	938646617	/nfs/dbraw/zinc/64/66/17/938646617.db2.gz	PBKFCEJNWBORDO-FUHWJXTLSA-N	1	0	350.422	1.564	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc(OC(C)C)n2)C[C@@H]1n1ccnn1	ZINC001130062746	938650966	/nfs/dbraw/zinc/65/09/66/938650966.db2.gz	VLNUGAPOQWMAMQ-SJORKVTESA-N	1	0	368.441	1.139	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3[nH]c(C)nc3c2)C[C@@H]1n1ccnn1	ZINC001130067145	938655835	/nfs/dbraw/zinc/65/58/35/938655835.db2.gz	VXULKSBGSHSZLE-MSOLQXFVSA-N	1	0	363.425	1.141	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnc(OC)nc2)C[C@@H]1n1ccnn1	ZINC001130070818	938657982	/nfs/dbraw/zinc/65/79/82/938657982.db2.gz	HGMPRPYZFPOMFO-IMJJTQAJSA-N	1	0	371.445	1.087	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn(CCC)nc2C)C[C@@H]1n1ccnn1	ZINC001130057402	938659602	/nfs/dbraw/zinc/65/96/02/938659602.db2.gz	ZVSIYUWFUQJZCB-SJORKVTESA-N	1	0	357.462	1.424	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn(C(C)C)c2C)C[C@@H]1n1ccnn1	ZINC001130079431	938672525	/nfs/dbraw/zinc/67/25/25/938672525.db2.gz	JQLXVVYITUBAIP-SJORKVTESA-N	1	0	355.446	1.043	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2ccccn2)C[C@@H]1n1ccnn1	ZINC001130088864	938675238	/nfs/dbraw/zinc/67/52/38/938675238.db2.gz	MGOVMBKHGDLQKO-ZACQAIPSSA-N	1	0	370.457	1.448	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3c(s2)CCOC3)C[C@@H]1n1ccnn1	ZINC001130091381	938676727	/nfs/dbraw/zinc/67/67/27/938676727.db2.gz	PRQJLQWKJZDYMU-CABCVRRESA-N	1	0	371.466	1.091	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc3nc(C)ccc3o2)C[C@@H]1n1ccnn1	ZINC001130096599	938681011	/nfs/dbraw/zinc/68/10/11/938681011.db2.gz	LYJMIHQHJZYIHO-CVEARBPZSA-N	1	0	366.425	1.959	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]c3ccccc23)C[C@@H]1n1ccnn1	ZINC001130099525	938682144	/nfs/dbraw/zinc/68/21/44/938682144.db2.gz	GZXBRPXAQABLRF-MOPGFXCFSA-N	1	0	362.437	1.367	20	30		FDEDRO
C=CCN(C(=O)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1)C(C)C	ZINC000805155743	938682234	/nfs/dbraw/zinc/68/22/34/938682234.db2.gz	RHUWNYAJRTVEBV-UHFFFAOYSA-N	1	0	365.518	1.949	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ncccc2OC)C[C@@H]1n1ccnn1	ZINC001130105344	938686234	/nfs/dbraw/zinc/68/62/34/938686234.db2.gz	XRVBKKWSCMNLQA-XHSDSOJGSA-N	1	0	370.457	1.692	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H]2OCc3ccccc32)C[C@@H]1n1ccnn1	ZINC001130106910	938686825	/nfs/dbraw/zinc/68/68/25/938686825.db2.gz	AJIFSIVDHUKYAJ-CEXWTWQISA-N	1	0	365.437	1.305	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc3ncsc3c2)C[C@@H]1n1ccnn1	ZINC001130112436	938691148	/nfs/dbraw/zinc/69/11/48/938691148.db2.gz	ZQAIOJCTCANNSI-CVEARBPZSA-N	1	0	366.450	1.566	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)COc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130125260	938695982	/nfs/dbraw/zinc/69/59/82/938695982.db2.gz	FANWMALINCWXDA-UHOSZYNNSA-N	1	0	367.453	1.358	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc3cnccc32)C[C@@H]1n1ccnn1	ZINC001130125382	938696160	/nfs/dbraw/zinc/69/61/60/938696160.db2.gz	LCEBFUYXQCUBDY-MOPGFXCFSA-N	1	0	360.421	1.505	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)COc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130125411	938696278	/nfs/dbraw/zinc/69/62/78/938696278.db2.gz	MJCJXVUCFWWASE-UHOSZYNNSA-N	1	0	367.453	1.358	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2-c2ccco2)C[C@@H]1n1ccnn1	ZINC001130127810	938697572	/nfs/dbraw/zinc/69/75/72/938697572.db2.gz	KEYBOOHFYOCOAB-CABCVRRESA-N	1	0	367.413	1.493	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c3ncccc23)C[C@@H]1n1ccnn1	ZINC001130129751	938699240	/nfs/dbraw/zinc/69/92/40/938699240.db2.gz	VENPBLHMYRHAJE-SJORKVTESA-N	1	0	365.441	1.776	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)OCCO3)C[C@@H]1n1ccnn1	ZINC001130120679	938703421	/nfs/dbraw/zinc/70/34/21/938703421.db2.gz	CRRIHKDPMBCOOO-CVEARBPZSA-N	1	0	369.425	1.281	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc3n[nH]nc3c2)C[C@@H]1n1ccnn1	ZINC001130121637	938703896	/nfs/dbraw/zinc/70/38/96/938703896.db2.gz	WDBCEMGGPOWMCZ-SJORKVTESA-N	1	0	366.429	1.171	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3cccc(F)c3O2)C[C@@H]1n1ccnn1	ZINC001130132754	938707773	/nfs/dbraw/zinc/70/77/73/938707773.db2.gz	NTUZLHVAEHOMFX-IKGGRYGDSA-N	1	0	371.416	1.339	20	30		FDEDRO
CCCC[NH2+][C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130134185	938708852	/nfs/dbraw/zinc/70/88/52/938708852.db2.gz	WOGZBXWQPVMAMT-MOPGFXCFSA-N	1	0	351.454	1.862	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccc(OCCOC)c2)C[C@@H]1n1ccnn1	ZINC001130134035	938708905	/nfs/dbraw/zinc/70/89/05/938708905.db2.gz	PLMMTXWPCIEKOD-MSOLQXFVSA-N	1	0	371.441	1.145	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c3ccc(C)cc23)C[C@@H]1n1ccnn1	ZINC001130142791	938714191	/nfs/dbraw/zinc/71/41/91/938714191.db2.gz	HOTAJMLMFNHZCD-MOPGFXCFSA-N	1	0	362.437	1.746	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(CCOC)CCCC2)C[C@@H]1n1ccnn1	ZINC001130155474	938718540	/nfs/dbraw/zinc/71/85/40/938718540.db2.gz	IUOKSSBATYZOQX-SJORKVTESA-N	1	0	359.474	1.240	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]([NH2+]CCc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001130148347	938722731	/nfs/dbraw/zinc/72/27/31/938722731.db2.gz	NZEDKYKMEMRARM-MOPGFXCFSA-N	1	0	369.469	1.455	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]([NH2+]Cc2cnccc2C)[C@@H](n2ccnn2)C1	ZINC001130148409	938722732	/nfs/dbraw/zinc/72/27/32/938722732.db2.gz	PCLHTIYPWGYNNJ-MSOLQXFVSA-N	1	0	370.457	1.116	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)COC)[nH]1	ZINC001130173619	938731930	/nfs/dbraw/zinc/73/19/30/938731930.db2.gz	WFADHPSCHWSBJT-GJZGRUSLSA-N	1	0	365.478	1.276	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCCOC)[nH]1	ZINC001130193407	938738262	/nfs/dbraw/zinc/73/82/62/938738262.db2.gz	WLDZXGZWYLAPDI-GJZGRUSLSA-N	1	0	365.478	1.276	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(Cl)o2)n1	ZINC001130184962	938744021	/nfs/dbraw/zinc/74/40/21/938744021.db2.gz	OLMHQHGXUAFSCH-JQWIXIFHSA-N	1	0	363.805	1.076	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=Cc2ccc[nH]2)[nH]1	ZINC001130205159	938745970	/nfs/dbraw/zinc/74/59/70/938745970.db2.gz	SNLLOZSVOQJSNF-DKLOGILVSA-N	1	0	370.457	1.501	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2[nH]ccc2C)[nH]1	ZINC001130207540	938746616	/nfs/dbraw/zinc/74/66/16/938746616.db2.gz	FTFWCQNZYDZKHZ-KBPBESRZSA-N	1	0	358.446	1.409	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c(C)coc2C)[nH]1	ZINC001130207923	938747241	/nfs/dbraw/zinc/74/72/41/938747241.db2.gz	WNQNSUGHDFJZTL-KBPBESRZSA-N	1	0	359.430	1.593	20	30		FDEDRO
CC(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C#CC2CC2)[nH]1	ZINC001130212969	938749936	/nfs/dbraw/zinc/74/99/36/938749936.db2.gz	NDFSEEUWVNANRY-HOTGVXAUSA-N	1	0	359.474	1.343	20	30		FDEDRO
C=CC(C)(C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)[nH]1	ZINC001130215999	938752412	/nfs/dbraw/zinc/75/24/12/938752412.db2.gz	LYJYGKXAQRMCSY-GJZGRUSLSA-N	1	0	361.490	1.895	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccns2)[nH]1	ZINC001130216453	938752947	/nfs/dbraw/zinc/75/29/47/938752947.db2.gz	XSLKAUOOJSTJQK-RYUDHWBXSA-N	1	0	362.459	1.229	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCCCO2)[nH]1	ZINC001130200305	938754193	/nfs/dbraw/zinc/75/41/93/938754193.db2.gz	HBTFANYXFAQVOI-ZNMIVQPWSA-N	1	0	363.462	1.028	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=CC(C)(C)C)[nH]1	ZINC001130202781	938755436	/nfs/dbraw/zinc/75/54/36/938755436.db2.gz	KPAPYIASUSMZFL-LADOHOGBSA-N	1	0	359.474	1.509	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2ccc(C)cc2)n1	ZINC001130223156	938757161	/nfs/dbraw/zinc/75/71/61/938757161.db2.gz	ORIKUFAAURQBCS-IRXDYDNUSA-N	1	0	367.453	1.067	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCF)[nH]1	ZINC001130224903	938758883	/nfs/dbraw/zinc/75/88/83/938758883.db2.gz	IGDCIIXIAKNVJI-KBPBESRZSA-N	1	0	367.469	1.845	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)CC(F)F)n1	ZINC001130225076	938759206	/nfs/dbraw/zinc/75/92/06/938759206.db2.gz	RDFXRJNAWRSNER-AVGNSLFASA-N	1	0	369.416	1.198	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](CCC)OC)[nH]1	ZINC001130224965	938759266	/nfs/dbraw/zinc/75/92/66/938759266.db2.gz	KVMMEJUUMBDSDZ-KKUMJFAQSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC[C@@H](C)O2)[nH]1	ZINC001130240066	938760197	/nfs/dbraw/zinc/76/01/97/938760197.db2.gz	GYQGCHAUHJFBCH-BARDWOONSA-N	1	0	363.462	1.027	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2CCC)[nH]1	ZINC001130240091	938760389	/nfs/dbraw/zinc/76/03/89/938760389.db2.gz	IIZUBIGZWUZDKA-QXSJWSMHSA-N	1	0	361.490	1.895	20	30		FDEDRO
C=CC(C)(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC[C@@H](C)F)[nH]1	ZINC001130227476	938760904	/nfs/dbraw/zinc/76/09/04/938760904.db2.gz	ACDOEGIONYBMDS-RDBSUJKOSA-N	1	0	367.469	1.843	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@]23C[C@H]2CCC3)n1	ZINC001130227720	938761901	/nfs/dbraw/zinc/76/19/01/938761901.db2.gz	LSIRXQBZFNQQGO-MMMWYMCRSA-N	1	0	357.458	1.097	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)CC(=C)C)[nH]1	ZINC001130232369	938764741	/nfs/dbraw/zinc/76/47/41/938764741.db2.gz	FKEREPXZAXWFND-JYJNAYRXSA-N	1	0	359.474	1.509	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccnc(C)c2)[nH]1	ZINC001130244311	938770171	/nfs/dbraw/zinc/77/01/71/938770171.db2.gz	GNQMIWTZKAXSFM-HOTGVXAUSA-N	1	0	370.457	1.476	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)OCCCSCC#N)CC1=O	ZINC000805542184	938770194	/nfs/dbraw/zinc/77/01/94/938770194.db2.gz	IOWGRKTVNHWTLM-GJZGRUSLSA-N	1	0	353.488	1.509	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)CCCOC)[nH]1	ZINC001130247145	938772379	/nfs/dbraw/zinc/77/23/79/938772379.db2.gz	WJEMFSFEMBGYIY-KKUMJFAQSA-N	1	0	365.478	1.132	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)C)[nH]1	ZINC001130249048	938773200	/nfs/dbraw/zinc/77/32/00/938773200.db2.gz	HKYJAKGOLHIUCY-KBPBESRZSA-N	1	0	365.478	1.132	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CO[C@@H](C)CC)CC1	ZINC001130281622	938779446	/nfs/dbraw/zinc/77/94/46/938779446.db2.gz	KKYWKTAXRIDNJQ-VPWXQRGCSA-N	1	0	363.502	1.300	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COCCCC)CC1	ZINC001130282029	938779648	/nfs/dbraw/zinc/77/96/48/938779648.db2.gz	OCBRQFWDPHJFLQ-XLIONFOSSA-N	1	0	365.518	1.855	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CSC(C)C)CC1	ZINC001130274347	938786537	/nfs/dbraw/zinc/78/65/37/938786537.db2.gz	JBFJRWMAOUNVJF-APWZRJJASA-N	1	0	365.543	1.627	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCO)CC1	ZINC001130286160	938791145	/nfs/dbraw/zinc/79/11/45/938791145.db2.gz	ZSJIVEWZSWCPBS-XLIONFOSSA-N	1	0	363.502	1.038	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)/C=C\c2ccc[nH]2)CC1	ZINC001130286171	938791214	/nfs/dbraw/zinc/79/12/14/938791214.db2.gz	ZVXDCSZSEQEBMC-GKPQXDKRSA-N	1	0	368.481	1.527	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](OC)C2CC2)CC1	ZINC001130287781	938792373	/nfs/dbraw/zinc/79/23/73/938792373.db2.gz	DJOZMTNMBXRVJV-NEWSRXKRSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCOC)CC1	ZINC001130290600	938795138	/nfs/dbraw/zinc/79/51/38/938795138.db2.gz	GVHJWVTUIWFMDG-XLIONFOSSA-N	1	0	365.518	1.855	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCC)CC1	ZINC001130291064	938795737	/nfs/dbraw/zinc/79/57/37/938795737.db2.gz	WHCAPFJFPALLAH-XLIONFOSSA-N	1	0	363.502	1.302	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1	ZINC001130291035	938795749	/nfs/dbraw/zinc/79/57/49/938795749.db2.gz	VBNHEPWFAPSRIK-MJGOQNOKSA-N	1	0	363.502	1.223	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1	ZINC001130295897	938798562	/nfs/dbraw/zinc/79/85/62/938798562.db2.gz	XDMMWBQHLRXQMJ-KYJSFNMBSA-N	1	0	351.491	1.056	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](OC)C(C)C)CC1	ZINC001130298923	938798962	/nfs/dbraw/zinc/79/89/62/938798962.db2.gz	MRIQNCQVLCXVNV-NZSAHSFTSA-N	1	0	363.502	1.156	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCO)CC1	ZINC001130298910	938799009	/nfs/dbraw/zinc/79/90/09/938799009.db2.gz	MEMLIDCKKOYJNF-IMFGXOCKSA-N	1	0	365.518	1.447	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1	ZINC001130307437	938805054	/nfs/dbraw/zinc/80/50/54/938805054.db2.gz	PXMAMJKQNXACNR-QAPCUYQASA-N	1	0	355.454	1.024	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)c1ccncc1	ZINC000805811218	938830796	/nfs/dbraw/zinc/83/07/96/938830796.db2.gz	NWQFPXZZNWWSJT-GOSISDBHSA-N	1	0	356.470	1.806	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1)c1ccncc1	ZINC000805813132	938831408	/nfs/dbraw/zinc/83/14/08/938831408.db2.gz	HQNJLOOYCIEZED-SFHVURJKSA-N	1	0	356.470	1.902	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(=O)[nH]n3)C2)c1	ZINC001086635716	938845937	/nfs/dbraw/zinc/84/59/37/938845937.db2.gz	BRSHBTOYEQJBGV-JKSUJKDBSA-N	1	0	351.410	1.742	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(=O)[nH]n2)C1	ZINC001086638332	938866928	/nfs/dbraw/zinc/86/69/28/938866928.db2.gz	XXCOPQYAFWGHRQ-XJKSGUPXSA-N	1	0	351.410	1.742	20	30		FDEDRO
COCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#Cc2ccccc2)C1	ZINC001130482788	938877264	/nfs/dbraw/zinc/87/72/64/938877264.db2.gz	CZTVBGKRUDOYTE-AZUAARDMSA-N	1	0	366.465	1.392	20	30		FDEDRO
Cn1cnc([C@@H]2CN(C(=O)CSCC#N)C[C@H]2[NH2+]Cc2ccccc2)c1	ZINC001130502513	938885382	/nfs/dbraw/zinc/88/53/82/938885382.db2.gz	QJJDCBPAQAMGQX-FUHWJXTLSA-N	1	0	369.494	1.761	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccccc2)C1	ZINC001130574046	939874483	/nfs/dbraw/zinc/87/44/83/939874483.db2.gz	KXPYWBXOUUPOGT-FBBABVLZSA-N	1	0	368.481	1.831	20	30		FDEDRO
Cn1cnc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2[NH2+]CCC[C@H]2CCOC2)c1	ZINC001130587569	939888456	/nfs/dbraw/zinc/88/84/56/939888456.db2.gz	SVUCGIZPUMJHQU-CMKODMSKSA-N	1	0	370.497	1.534	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cncs2)C1	ZINC001130580649	939892968	/nfs/dbraw/zinc/89/29/68/939892968.db2.gz	KJNVKCSJVNRRDH-DOTOQJQBSA-N	1	0	357.483	1.764	20	30		FDEDRO
COCCCCC[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1c1cn(C)cn1	ZINC001130590588	939897524	/nfs/dbraw/zinc/89/75/24/939897524.db2.gz	XWCWXMZFDRLLJE-PKOBYXMFSA-N	1	0	360.502	1.780	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C2(CCOCC)CCC2)C[C@H]1c1cn(C)cn1	ZINC001130590522	939897660	/nfs/dbraw/zinc/89/76/60/939897660.db2.gz	UWIXUPNQYWPNGD-FUHWJXTLSA-N	1	0	358.486	1.534	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(CC)CC)C1	ZINC001130593196	939900209	/nfs/dbraw/zinc/90/02/09/939900209.db2.gz	VDJPGXNSUUJQJV-VDZJLULYSA-N	1	0	360.502	1.779	20	30		FDEDRO
C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1c1cn(C)cn1	ZINC001130594615	939901810	/nfs/dbraw/zinc/90/18/10/939901810.db2.gz	RMXNSWUQSQFEHZ-XYJFISCASA-N	1	0	360.502	1.515	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(F)cccc2OC)C[C@H]1c1cn(C)cn1	ZINC001130599349	939904954	/nfs/dbraw/zinc/90/49/54/939904954.db2.gz	OSXZSAGIMWMJHE-WMLDXEAASA-N	1	0	370.428	1.789	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130601196	939905817	/nfs/dbraw/zinc/90/58/17/939905817.db2.gz	YBQMFPXGZCIEES-MAUKXSAKSA-N	1	0	368.485	1.805	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1	ZINC001130602548	939914230	/nfs/dbraw/zinc/91/42/30/939914230.db2.gz	HYCCBALKOPRBGF-YQQAZPJKSA-N	1	0	361.490	1.137	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccnn2C)C1	ZINC001130602845	939914653	/nfs/dbraw/zinc/91/46/53/939914653.db2.gz	QEFBNMUKMILUCM-FUHWJXTLSA-N	1	0	356.474	1.594	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(=O)NCCC)C1	ZINC001130602906	939915014	/nfs/dbraw/zinc/91/50/14/939915014.db2.gz	UDTRXQNPTYCYDB-DOTOQJQBSA-N	1	0	361.490	1.187	20	30		FDEDRO
N#Cc1cc2nc(Cl)c(NCCOCCOCC[NH3+])nc2cc1C#N	ZINC001170507349	939917837	/nfs/dbraw/zinc/91/78/37/939917837.db2.gz	IHDBUGOMEANDPZ-UHFFFAOYSA-N	1	0	360.805	1.430	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#CC)C1	ZINC001130608003	939919956	/nfs/dbraw/zinc/91/99/56/939919956.db2.gz	WIBJUQADHNJNKQ-FUHWJXTLSA-N	1	0	351.454	1.629	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCOCC(F)(F)F)C[C@H]1c1cn(C)cn1	ZINC001130622202	939920921	/nfs/dbraw/zinc/92/09/21/939920921.db2.gz	WRKIZCMSGLVCAZ-GXTWGEPZSA-N	1	0	360.380	1.459	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)(C)C)on2)C[C@H]1c1cn(C)cn1	ZINC001130623798	939921889	/nfs/dbraw/zinc/92/18/89/939921889.db2.gz	GTOJEVRIHVBXBM-WMLDXEAASA-N	1	0	369.469	1.927	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH]ccc-3n2)C[C@H]1c1cn(C)cn1	ZINC001130616943	939928250	/nfs/dbraw/zinc/92/82/50/939928250.db2.gz	LBCZXLMCNCAYSF-HNAYVOBHSA-N	1	0	362.437	1.518	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)CC(F)F)C[C@H]1c1cn(C)cn1	ZINC001130632853	939936227	/nfs/dbraw/zinc/93/62/27/939936227.db2.gz	UBTLGTCMLCCPSR-OFQRWUPVSA-N	1	0	370.444	1.798	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(F)ccc2OC)C[C@H]1c1cn(C)cn1	ZINC001130635110	939937387	/nfs/dbraw/zinc/93/73/87/939937387.db2.gz	JIRPRINLFNCDQH-FUHWJXTLSA-N	1	0	370.428	1.789	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2(C)CCCC2)C[C@H]1c1cn(C)cn1	ZINC001130638044	939940613	/nfs/dbraw/zinc/94/06/13/939940613.db2.gz	ZEAZZQNERWWUPX-FUHWJXTLSA-N	1	0	358.486	1.534	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3n[nH]cc3c2)C[C@H]1c1cn(C)cn1	ZINC001130654610	939948512	/nfs/dbraw/zinc/94/85/12/939948512.db2.gz	PJIFPDCIRAGUMR-QFBILLFUSA-N	1	0	362.437	1.518	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccnn2C)C1	ZINC001130664014	939957126	/nfs/dbraw/zinc/95/71/26/939957126.db2.gz	BQJULRVEBZTRHR-FUHWJXTLSA-N	1	0	356.474	1.594	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCn2cccn2)C1	ZINC001130656651	939960892	/nfs/dbraw/zinc/96/08/92/939960892.db2.gz	NURCKURBACFZKL-JENIJYKNSA-N	1	0	370.501	1.803	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc[nH]1	ZINC000806522242	939962759	/nfs/dbraw/zinc/96/27/59/939962759.db2.gz	BQJBKEZRRZWACJ-OAHLLOKOSA-N	1	0	367.453	1.654	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1c1cn(C)cn1	ZINC001130680283	939968754	/nfs/dbraw/zinc/96/87/54/939968754.db2.gz	HWDGANCLGFKDQT-VYDRJQSISA-N	1	0	358.486	1.838	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cc2C)C[C@H]1c1cn(C)cn1	ZINC001130671982	939971033	/nfs/dbraw/zinc/97/10/33/939971033.db2.gz	FIHBUCGJBKDQCD-DOTOQJQBSA-N	1	0	353.426	1.050	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3nc[nH]c32)C[C@H]1c1cn(C)cn1	ZINC001130672290	939971158	/nfs/dbraw/zinc/97/11/58/939971158.db2.gz	LJIAKXCZRSQTFC-RVKKMQEKSA-N	1	0	366.469	1.171	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1c1cn(C)cn1	ZINC001130672565	939971932	/nfs/dbraw/zinc/97/19/32/939971932.db2.gz	SZESRZJMHGVWBA-JENIJYKNSA-N	1	0	359.518	1.612	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1c1cn(C)cn1	ZINC001130672797	939971994	/nfs/dbraw/zinc/97/19/94/939971994.db2.gz	ZLVBILNJVZXXAY-ZIFCJYIRSA-N	1	0	359.518	1.755	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccnc(N(C)C)c2)C[C@H]1c1cn(C)cn1	ZINC001130685260	939974907	/nfs/dbraw/zinc/97/49/07/939974907.db2.gz	LDFOODMKEJEGJJ-FUHWJXTLSA-N	1	0	366.469	1.102	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccsc2C)C[C@H]1c1cn(C)cn1	ZINC001130687444	939977198	/nfs/dbraw/zinc/97/71/98/939977198.db2.gz	ALIYNQXHQIQYJC-FUHWJXTLSA-N	1	0	356.495	1.940	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2cn(C)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130687571	939977204	/nfs/dbraw/zinc/97/72/04/939977204.db2.gz	GRGGRSNPTGDPJF-PKOBYXMFSA-N	1	0	368.485	1.002	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]cn2)C[C@H]1c1cn(C)cn1	ZINC001130690123	939979969	/nfs/dbraw/zinc/97/99/69/939979969.db2.gz	YBVZGJFYLLNDMN-HHXXYDBFSA-N	1	0	370.501	1.872	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn3ccccc23)C[C@H]1c1cn(C)cn1	ZINC001130692368	939981000	/nfs/dbraw/zinc/98/10/00/939981000.db2.gz	GUQZSPYLJFWOPO-FUHWJXTLSA-N	1	0	362.437	1.289	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn(CCC)c2C)C[C@H]1c1cn(C)cn1	ZINC001130704670	939985855	/nfs/dbraw/zinc/98/58/55/939985855.db2.gz	YNSMRQRROIKPAV-PKOBYXMFSA-N	1	0	368.485	1.556	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130706643	939988387	/nfs/dbraw/zinc/98/83/87/939988387.db2.gz	PZRPFUJSOMGTTL-DOTOQJQBSA-N	1	0	352.442	1.242	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCCn2ccnc2C)C[C@H]1c1cn(C)cn1	ZINC001130695482	939990104	/nfs/dbraw/zinc/99/01/04/939990104.db2.gz	VICPVXFMKPHSBO-PKOBYXMFSA-N	1	0	368.485	1.313	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn(C(F)F)c2)C[C@H]1c1cn(C)cn1	ZINC001130701526	939996709	/nfs/dbraw/zinc/99/67/09/939996709.db2.gz	WPRKEALFGHDILK-DZGCQCFKSA-N	1	0	364.400	1.786	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc3nccn3c2)C[C@H]1c1cn(C)cn1	ZINC001130714559	940006390	/nfs/dbraw/zinc/00/63/90/940006390.db2.gz	DBEYQTDFVWTGOU-FUHWJXTLSA-N	1	0	362.437	1.289	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1c1cn(C)cn1	ZINC001130728780	940017590	/nfs/dbraw/zinc/01/75/90/940017590.db2.gz	KWCCLZVBVKPPNR-WMLDXEAASA-N	1	0	370.457	1.011	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COCc2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130723071	940027782	/nfs/dbraw/zinc/02/77/82/940027782.db2.gz	AGRIPFBLTRGSGT-PKOBYXMFSA-N	1	0	352.438	1.154	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@H]1c1cn(C)cn1	ZINC001130726458	940031358	/nfs/dbraw/zinc/03/13/58/940031358.db2.gz	YTIOIAFIEVYZMK-FUHWJXTLSA-N	1	0	369.469	1.132	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)COCCOCC)C[C@H]1c1cn(C)cn1	ZINC001130737198	940038851	/nfs/dbraw/zinc/03/88/51/940038851.db2.gz	XDVGARWMHPTUCM-FUHWJXTLSA-N	1	0	364.490	1.323	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@H](CC)OC)C1	ZINC001130741860	940045934	/nfs/dbraw/zinc/04/59/34/940045934.db2.gz	SQFGGYIJPWIWEZ-XYJFISCASA-N	1	0	364.490	1.322	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCOC)n2)O1	ZINC001130755000	940049753	/nfs/dbraw/zinc/04/97/53/940049753.db2.gz	UFODRKWPDXHOGM-UONOGXRCSA-N	1	0	351.451	1.233	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCCO3)n2)O1	ZINC001130753103	940061848	/nfs/dbraw/zinc/06/18/48/940061848.db2.gz	QSYIHPHKIMRVRF-YNEHKIRRSA-N	1	0	369.853	1.162	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCCC(C)=O)n2)O1	ZINC001130756349	940077961	/nfs/dbraw/zinc/07/79/61/940077961.db2.gz	BPSUPUYCTWLDPW-LSDHHAIUSA-N	1	0	363.462	1.566	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)CC)n2)O1	ZINC001130758337	940084350	/nfs/dbraw/zinc/08/43/50/940084350.db2.gz	XYYMNHWGALKFJU-SOUVJXGZSA-N	1	0	365.478	1.479	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCSCC)n2)O1	ZINC001130759849	940087364	/nfs/dbraw/zinc/08/73/64/940087364.db2.gz	PSVPLWHHBHAWGW-QWHCGFSZSA-N	1	0	351.476	1.007	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(C)nc3)n2)O1	ZINC001130759760	940087386	/nfs/dbraw/zinc/08/73/86/940087386.db2.gz	JWAKZUORYJAQTI-JKSUJKDBSA-N	1	0	368.441	1.271	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3cccnc3)n2)O1	ZINC001130774723	940091088	/nfs/dbraw/zinc/09/10/88/940091088.db2.gz	AMAMRVVJSKCOLY-JKSUJKDBSA-N	1	0	370.457	1.444	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(C#N)[nH]3)n2)O1	ZINC001130775361	940092742	/nfs/dbraw/zinc/09/27/42/940092742.db2.gz	SFGZIQHTVJSARB-DZGCQCFKSA-N	1	0	369.429	1.320	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COCC3CC3)n2)O1	ZINC001130765209	940095061	/nfs/dbraw/zinc/09/50/61/940095061.db2.gz	HKRBRHRLOODARQ-LSDHHAIUSA-N	1	0	363.462	1.233	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)OCC)n2)O1	ZINC001130767416	940100665	/nfs/dbraw/zinc/10/06/65/940100665.db2.gz	HZNOLMFMDORWRI-QLFBSQMISA-N	1	0	365.478	1.622	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H](C)OC)n2)O1	ZINC001130769440	940106571	/nfs/dbraw/zinc/10/65/71/940106571.db2.gz	JOGSIWVVGCPDFO-HZSPNIEDSA-N	1	0	351.451	1.232	20	30		FDEDRO
CCCCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)C#N)n2)O1	ZINC001130769610	940106899	/nfs/dbraw/zinc/10/68/99/940106899.db2.gz	LXYBGRLBRWLZGW-QLFBSQMISA-N	1	0	362.478	1.971	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cnc(C)[nH]3)n2)O1	ZINC001130772342	940111618	/nfs/dbraw/zinc/11/16/18/940111618.db2.gz	IKSMMLCGETWGAQ-GXTWGEPZSA-N	1	0	359.434	1.152	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCCOCC=C)n2)O1	ZINC001130776591	940125428	/nfs/dbraw/zinc/12/54/28/940125428.db2.gz	HBRLPTIHSCFOAS-LSDHHAIUSA-N	1	0	363.462	1.399	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COCCCC)n2)O1	ZINC001130776638	940126024	/nfs/dbraw/zinc/12/60/24/940126024.db2.gz	JFXHKXDZECBKGM-LSDHHAIUSA-N	1	0	365.478	1.623	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C=Cc3ccc[nH]3)n2)O1	ZINC001130776962	940127141	/nfs/dbraw/zinc/12/71/41/940127141.db2.gz	OVALTWDPNCRFFJ-HPRJGHKQSA-N	1	0	368.441	1.295	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[C@H](C)OC)n2)O1	ZINC001130778329	940131473	/nfs/dbraw/zinc/13/14/73/940131473.db2.gz	RMXHDSDFPNWOKE-MELADBBJSA-N	1	0	351.451	1.232	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc[nH]c3CC)n2)O1	ZINC001130781080	940136439	/nfs/dbraw/zinc/13/64/39/940136439.db2.gz	NQBUTCVVKSBKMZ-XJKSGUPXSA-N	1	0	370.457	1.458	20	30		FDEDRO
C#CCCCNC(=O)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1	ZINC000806915282	940141909	/nfs/dbraw/zinc/14/19/09/940141909.db2.gz	JUZZVPVMNLUMTM-UHFFFAOYSA-N	1	0	359.392	1.438	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC[C@@H]4C[C@@H]4CC3)n2)O1	ZINC001130794479	940146243	/nfs/dbraw/zinc/14/62/43/940146243.db2.gz	VLFXVBBBNPTZJN-ZOFXXKQRSA-N	1	0	371.485	1.690	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C/C=C(\C)C=C)n2)O1	ZINC001130795860	940148740	/nfs/dbraw/zinc/14/87/40/940148740.db2.gz	BKVFXHCIQNUYHA-DMNRVOQQSA-N	1	0	357.458	1.776	20	30		FDEDRO
C#CCCCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC#C)O2)n[nH]1	ZINC001130795850	940149290	/nfs/dbraw/zinc/14/92/90/940149290.db2.gz	ARGCZZJNFRYBII-JKSUJKDBSA-N	1	0	357.458	1.448	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@]3(C)C=CCC3)n2)O1	ZINC001130796096	940150114	/nfs/dbraw/zinc/15/01/14/940150114.db2.gz	HZQBQTKKWINMDA-QMTMVMCOSA-N	1	0	357.458	1.610	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](F)C(C)C)n2)O1	ZINC001130796457	940151766	/nfs/dbraw/zinc/15/17/66/940151766.db2.gz	SANNPNWUVGSNRO-GZBFAFLISA-N	1	0	351.426	1.248	20	30		FDEDRO
C=C(C)CCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCOC)O2)n[nH]1	ZINC001130787145	940155009	/nfs/dbraw/zinc/15/50/09/940155009.db2.gz	AVHIPRPVQWAXOM-UONOGXRCSA-N	1	0	351.451	1.233	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@]34C[C@H]3CCCC4)n2)O1	ZINC001130806895	940181378	/nfs/dbraw/zinc/18/13/78/940181378.db2.gz	MCUKENMDYUNEKI-NXEZDXNNSA-N	1	0	359.474	1.997	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3Cc4ccccc43)n2)O1	ZINC001130799605	940193368	/nfs/dbraw/zinc/19/33/68/940193368.db2.gz	OKKRAFRHWCZKNB-BHYGNILZSA-N	1	0	365.437	1.204	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1	ZINC001130802100	940195949	/nfs/dbraw/zinc/19/59/49/940195949.db2.gz	BVYSMYRXJPXKGN-OGHNNQOOSA-N	1	0	353.442	1.802	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3cnoc3)n2)O1	ZINC001130802537	940197696	/nfs/dbraw/zinc/19/76/96/940197696.db2.gz	ZDJCVFASPDUPJI-UONOGXRCSA-N	1	0	360.418	1.037	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCOC)O2)n[nH]1	ZINC001130802435	940198150	/nfs/dbraw/zinc/19/81/50/940198150.db2.gz	UMHYGBXZHARYDX-IYOUNJFTSA-N	1	0	365.478	1.479	20	30		FDEDRO
C=CCCOCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCC)O2)n[nH]1	ZINC001130822087	940203105	/nfs/dbraw/zinc/20/31/05/940203105.db2.gz	GJPAHXDIRCLODZ-LSDHHAIUSA-N	1	0	365.478	1.623	20	30		FDEDRO
C=CCCOCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCC)O2)n[nH]1	ZINC001130823817	940203776	/nfs/dbraw/zinc/20/37/76/940203776.db2.gz	XRLSJMQEYBATCY-UONOGXRCSA-N	1	0	351.451	1.233	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3ccccc3C)n2)O1	ZINC001130817602	940223159	/nfs/dbraw/zinc/22/31/59/940223159.db2.gz	VQCHJGRZVSLPLS-DLBZAZTESA-N	1	0	367.453	1.415	20	30		FDEDRO
COCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001130893232	940289375	/nfs/dbraw/zinc/28/93/75/940289375.db2.gz	DIANQFGACXDHQJ-QZTJIDSGSA-N	1	0	367.453	1.412	20	30		FDEDRO
COc1ccc(CNC(=O)NC2CCN(CC[NH+](C)C)CC2)cc1C#N	ZINC000747389115	940305541	/nfs/dbraw/zinc/30/55/41/940305541.db2.gz	GDIPLOWITVNFKX-UHFFFAOYSA-N	1	0	359.474	1.392	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1c1cncn1C	ZINC001130910982	940318048	/nfs/dbraw/zinc/31/80/48/940318048.db2.gz	SIWMAEUNRDQFGU-BRWVUGGUSA-N	1	0	356.474	1.556	20	30		FDEDRO
Cn1cncc1[C@@H]1CN(C(=O)CSCC#N)C[C@H]1[NH2+]C/C=C\Cl	ZINC001130915233	940324526	/nfs/dbraw/zinc/32/45/26/940324526.db2.gz	FBZAMVSZRDAOKI-LLGAQUFESA-N	1	0	353.879	1.313	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@H](C)OC)C1	ZINC001130948291	940346686	/nfs/dbraw/zinc/34/66/86/940346686.db2.gz	DKBVRDDDSHUDCZ-GVDBMIGSSA-N	1	0	364.490	1.322	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC=C(Cl)Cl)C1	ZINC001130941166	940351871	/nfs/dbraw/zinc/35/18/71/940351871.db2.gz	SRIQXWDHBBKKOF-QJPTWQEYSA-N	1	0	356.257	1.783	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ncccc2C)C[C@H]1c1cncn1C	ZINC001130957248	940362697	/nfs/dbraw/zinc/36/26/97/940362697.db2.gz	PAJRKMMPQQGOJV-IAGOWNOFSA-N	1	0	369.469	1.524	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)n2cccc2)C[C@H]1c1cncn1C	ZINC001130959471	940365307	/nfs/dbraw/zinc/36/53/07/940365307.db2.gz	NBODXHWPULTMIG-KZNAEPCWSA-N	1	0	369.469	1.017	20	30		FDEDRO
Cn1cncc1[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]C/C=C/Cl	ZINC001130961856	940367688	/nfs/dbraw/zinc/36/76/88/940367688.db2.gz	VGYOOEDYYGUSOJ-LDOQWONVSA-N	1	0	358.833	1.570	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@H]([NH2+][C@@H](C)CC)c2ccco2)CC1	ZINC000807441631	940373571	/nfs/dbraw/zinc/37/35/71/940373571.db2.gz	LTSYIVJJIUPZQO-RDJZCZTQSA-N	1	0	374.485	1.880	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@@](C)(O)C2CC2)C[C@H]1c1cncn1C	ZINC001130968959	940376787	/nfs/dbraw/zinc/37/67/87/940376787.db2.gz	MVCDSJMRTVDFBK-MBOZVWFJSA-N	1	0	360.502	1.821	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@@H](CC)OC)C1	ZINC001130964639	940386786	/nfs/dbraw/zinc/38/67/86/940386786.db2.gz	WFPYVBRJRNVLMO-KZNAEPCWSA-N	1	0	360.502	1.923	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)C(C)(C)C	ZINC000807536206	940393416	/nfs/dbraw/zinc/39/34/16/940393416.db2.gz	MUYJQQMUSSPPTJ-SFHVURJKSA-N	1	0	370.497	1.931	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)cc1C#N	ZINC000807552483	940400923	/nfs/dbraw/zinc/40/09/23/940400923.db2.gz	AFNLEDQJQDLAAU-UHFFFAOYSA-N	1	0	370.453	1.316	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cc(C)no2)C1	ZINC001130977947	940409012	/nfs/dbraw/zinc/40/90/12/940409012.db2.gz	JHKOGDPAYGTVAN-IAGOWNOFSA-N	1	0	355.442	1.604	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC(C)(C)C)C1	ZINC001130989057	940411262	/nfs/dbraw/zinc/41/12/62/940411262.db2.gz	UANAWLHOILBXQR-IAGOWNOFSA-N	1	0	360.502	1.780	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC[C@H](C)F)C1	ZINC001130988933	940411351	/nfs/dbraw/zinc/41/13/51/940411351.db2.gz	PZBCBBYFCPQMTH-ARFHVFGLSA-N	1	0	350.438	1.092	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C[C@H]1c1cncn1C	ZINC001130996062	940420173	/nfs/dbraw/zinc/42/01/73/940420173.db2.gz	ZYRUGMONAKSLNI-RHQZKXFESA-N	1	0	352.482	1.930	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1c1cncn1C	ZINC001130985400	940422904	/nfs/dbraw/zinc/42/29/04/940422904.db2.gz	ICNFBDJFGUEYJX-IAGOWNOFSA-N	1	0	358.486	1.556	20	30		FDEDRO
Cn1cncc1[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]CCOCC1CCC1	ZINC001130985391	940422939	/nfs/dbraw/zinc/42/29/39/940422939.db2.gz	HRHIAUXEVZGHDD-RTBURBONSA-N	1	0	370.497	1.534	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2nnc(C)[nH]2)C[C@H]1c1cncn1C	ZINC001130986093	940423893	/nfs/dbraw/zinc/42/38/93/940423893.db2.gz	WGVOYVJNHLLCOF-FVQBIDKESA-N	1	0	371.489	1.328	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnc(C)nc2)C1	ZINC001131002022	940428542	/nfs/dbraw/zinc/42/85/42/940428542.db2.gz	XNPVWWXVNRPROS-QZTJIDSGSA-N	1	0	368.485	1.959	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc3[nH]cnc3c2)C[C@H]1c1cncn1C	ZINC001131001810	940428581	/nfs/dbraw/zinc/42/85/81/940428581.db2.gz	PITWSRXBZUMEJA-GDBMZVCRSA-N	1	0	365.441	1.465	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](OCC)C(C)C)C[C@H]1c1cncn1C	ZINC001131007978	940434508	/nfs/dbraw/zinc/43/45/08/940434508.db2.gz	QBQFFCQEXAGDRP-LMMKCTJWSA-N	1	0	360.502	1.779	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cncc(COC)c2)C[C@H]1c1cncn1C	ZINC001131010129	940440955	/nfs/dbraw/zinc/44/09/55/940440955.db2.gz	BNUITMPYBUPLQR-QZTJIDSGSA-N	1	0	369.469	1.735	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2cnccc2C)C[C@H]1c1cncn1C	ZINC001131010644	940441925	/nfs/dbraw/zinc/44/19/25/940441925.db2.gz	WVMGKEWJFSIZDT-QZTJIDSGSA-N	1	0	351.454	1.274	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(F)cn2)C[C@H]1c1cncn1C	ZINC001131019810	940451847	/nfs/dbraw/zinc/45/18/47/940451847.db2.gz	BPIVEYPUSZITBD-IAGOWNOFSA-N	1	0	355.417	1.104	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1c1cncn1C	ZINC001131020166	940452618	/nfs/dbraw/zinc/45/26/18/940452618.db2.gz	MLKOTXLQUZLKHD-GDBMZVCRSA-N	1	0	357.462	1.482	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCCO1	ZINC000807684509	940455469	/nfs/dbraw/zinc/45/54/69/940455469.db2.gz	HBHXIGKWAZYQMI-FOIPXRHGSA-N	1	0	361.486	1.197	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ncc3ccccn32)C[C@H]1c1cncn1C	ZINC001131028889	940463656	/nfs/dbraw/zinc/46/36/56/940463656.db2.gz	OJPQVGISYRZFLQ-IAGOWNOFSA-N	1	0	362.437	1.289	20	30		FDEDRO
COc1ccc(CNC(=O)N2CCC([N@H+](C)CCCO)CC2)cc1C#N	ZINC000747421478	940473677	/nfs/dbraw/zinc/47/36/77/940473677.db2.gz	GUJNEHIUVFXQIZ-UHFFFAOYSA-N	1	0	360.458	1.555	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)C=CCC2)C[C@H]1c1cncn1C	ZINC001131046607	940475431	/nfs/dbraw/zinc/47/54/31/940475431.db2.gz	RVKIXLKDVRBQFT-HLIPFELVSA-N	1	0	356.470	1.310	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCn2cccn2)C1	ZINC001131057545	940477836	/nfs/dbraw/zinc/47/78/36/940477836.db2.gz	MXJAPLJCPWFJPP-KZNAEPCWSA-N	1	0	370.501	1.803	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCc2cnn(C)c2)C1	ZINC001131059888	940478973	/nfs/dbraw/zinc/47/89/73/940478973.db2.gz	NYZCKUKXJPPIQD-QZTJIDSGSA-N	1	0	370.501	1.637	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3cccnc32)C[C@H]1c1cncn1C	ZINC001131055698	940481655	/nfs/dbraw/zinc/48/16/55/940481655.db2.gz	INJBYXYBAHEYQT-KZNAEPCWSA-N	1	0	363.465	1.452	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3nn[nH]c32)C[C@H]1c1cncn1C	ZINC001131055783	940481774	/nfs/dbraw/zinc/48/17/74/940481774.db2.gz	MDSWWKAHHAKWOO-SQWLQELKSA-N	1	0	369.473	1.118	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2cccnc2)C[C@H]1c1cncn1C	ZINC001131072332	940485336	/nfs/dbraw/zinc/48/53/36/940485336.db2.gz	SXMVXMBJOOFHHZ-KBAYOESNSA-N	1	0	367.453	1.190	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3nonc3c2)C[C@H]1c1cncn1C	ZINC001131064364	940486493	/nfs/dbraw/zinc/48/64/93/940486493.db2.gz	GQBNZHMVPVBARP-RHSMWYFYSA-N	1	0	366.425	1.730	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3ccccn3c2)C[C@H]1c1cncn1C	ZINC001131081932	940487810	/nfs/dbraw/zinc/48/78/10/940487810.db2.gz	FHXSAVNLEQCRIC-RTBURBONSA-N	1	0	361.449	1.894	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2nccc2C)C[C@H]1c1cncn1C	ZINC001131079753	940492305	/nfs/dbraw/zinc/49/23/05/940492305.db2.gz	SHWTUWYNZDPQTN-CGTJXYLNSA-N	1	0	370.501	1.864	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cn(CC)nn2)C[C@H]1c1cncn1C	ZINC001131096753	940497328	/nfs/dbraw/zinc/49/73/28/940497328.db2.gz	NHNNZMNORSRWLH-BZUAXINKSA-N	1	0	371.489	1.584	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+][C@H](C)COC)C2)cn1	ZINC001131113157	940499375	/nfs/dbraw/zinc/49/93/75/940499375.db2.gz	VVWDJDPZNBMKOD-ZTFGCOKTSA-N	1	0	367.453	1.029	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCC(=O)NC(C)C)C[C@H]1c1cncn1C	ZINC001131113391	940499391	/nfs/dbraw/zinc/49/93/91/940499391.db2.gz	YWNBWJITKPIGGA-HZPDHXFCSA-N	1	0	361.490	1.185	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CC(C)(C)C(F)(F)F)C[C@H]1c1cncn1C	ZINC001131117694	940504379	/nfs/dbraw/zinc/50/43/79/940504379.db2.gz	MWIPVPVWAUTONT-CHWSQXEVSA-N	1	0	356.392	1.916	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2[nH]cnc2CC)C[C@H]1c1cncn1C	ZINC001131119636	940505331	/nfs/dbraw/zinc/50/53/31/940505331.db2.gz	NXHYDZQTFPCQBF-GDBMZVCRSA-N	1	0	356.474	1.870	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2sc(C)nc2C)C[C@H]1c1cncn1C	ZINC001131120971	940506282	/nfs/dbraw/zinc/50/62/82/940506282.db2.gz	GCUKDZUTZCRENQ-HUUCEWRRSA-N	1	0	357.483	1.715	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCCc2nc(C)no2)C[C@H]1c1cncn1C	ZINC001131121073	940506389	/nfs/dbraw/zinc/50/63/89/940506389.db2.gz	LOGBWYOLBLNZIC-HZPDHXFCSA-N	1	0	370.457	1.042	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)n2nc(C)cc2C)C[C@H]1c1cncn1C	ZINC001131130279	940510746	/nfs/dbraw/zinc/51/07/46/940510746.db2.gz	FFARJZODMZSDOT-KZNAEPCWSA-N	1	0	370.501	1.955	20	30		FDEDRO
COCC[NH2+][C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1c1cncn1C	ZINC001131130326	940510947	/nfs/dbraw/zinc/51/09/47/940510947.db2.gz	GRAZADPBSPPNCP-RTBURBONSA-N	1	0	366.465	1.392	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(N(C)C)ccn2)C[C@H]1c1cncn1C	ZINC001131133041	940512687	/nfs/dbraw/zinc/51/26/87/940512687.db2.gz	ZDDKNMGFFSKCJO-SJLPKXTDSA-N	1	0	366.469	1.102	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC23CCOCC3)C[C@H]1c1cncn1C	ZINC001131136268	940513307	/nfs/dbraw/zinc/51/33/07/940513307.db2.gz	DZXQKKFQRHWBCO-IXDOHACOSA-N	1	0	356.470	1.144	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COc3ccccc32)C[C@H]1c1cncn1C	ZINC001131136604	940513545	/nfs/dbraw/zinc/51/35/45/940513545.db2.gz	VJCOIABGFANWCP-KZNAEPCWSA-N	1	0	364.449	1.504	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCC(=O)N3)C2)cc1C#N	ZINC001086659777	940517732	/nfs/dbraw/zinc/51/77/32/940517732.db2.gz	KYDXJHMQQBLDTD-USXIJHARSA-N	1	0	370.453	1.220	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(CCn2ccnc2)C2CCSCC2)CC1	ZINC000808086422	940517734	/nfs/dbraw/zinc/51/77/34/940517734.db2.gz	BZDWQRPYAUJFDH-UHFFFAOYSA-N	1	0	360.527	1.953	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)/C=C\c3ccccc3C#N)CC2)C1=O	ZINC000808139299	940521557	/nfs/dbraw/zinc/52/15/57/940521557.db2.gz	CLGPZYIGBFMXCX-MJRGOJFPSA-N	1	0	352.438	1.383	20	30		FDEDRO
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1	ZINC000805304636	940527223	/nfs/dbraw/zinc/52/72/23/940527223.db2.gz	RFOOLERIXHWVTN-UYAOXDASSA-N	1	0	356.514	1.946	20	30		FDEDRO
C#C[C@H](NC(=O)NCc1ccncc1OCCC[NH+](C)C)[C@@H]1CCCO1	ZINC000808291298	940538371	/nfs/dbraw/zinc/53/83/71/940538371.db2.gz	HQTVQXHEWYEEEY-IRXDYDNUSA-N	1	0	360.458	1.392	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cc[nH]n2)C1	ZINC001131301380	940547094	/nfs/dbraw/zinc/54/70/94/940547094.db2.gz	SZLVNSTXIIXKFQ-BMFZPTHFSA-N	1	0	359.430	1.095	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCCC(C)=O)C1	ZINC001131301306	940547183	/nfs/dbraw/zinc/54/71/83/940547183.db2.gz	RILNUUIBZIMYNQ-BBWFWOEESA-N	1	0	363.458	1.428	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CCC4CC4)C[C@H]32)C1	ZINC001131307508	940549205	/nfs/dbraw/zinc/54/92/05/940549205.db2.gz	VRYCCDNWISZDSI-ZACQAIPSSA-N	1	0	363.458	1.095	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cccc(=O)[nH]3)C2)C1=O	ZINC001086666226	940556237	/nfs/dbraw/zinc/55/62/37/940556237.db2.gz	DBYHESITBLPDIZ-SQWLQELKSA-N	1	0	358.442	1.062	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC2CC2)CC1	ZINC001131408368	940565370	/nfs/dbraw/zinc/56/53/70/940565370.db2.gz	IIGOXZMHYBPOLA-BJZITVGISA-N	1	0	363.502	1.463	20	30		FDEDRO
CCOCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC#CCOC)CC1	ZINC001131431360	940594326	/nfs/dbraw/zinc/59/43/26/940594326.db2.gz	GQYVIPBNSXCQCJ-QUCCMNQESA-N	1	0	366.502	1.439	20	30		FDEDRO
COCCCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)C#N)CC1	ZINC001131451468	940605388	/nfs/dbraw/zinc/60/53/88/940605388.db2.gz	MKRJZJSARFBLLL-NXHRZFHOSA-N	1	0	351.491	1.948	20	30		FDEDRO
CCC[C@@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NCC#N)CC1	ZINC001131456183	940609842	/nfs/dbraw/zinc/60/98/42/940609842.db2.gz	JXOLAUNJZJIYKS-KYJSFNMBSA-N	1	0	364.490	1.048	20	30		FDEDRO
C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCn2cccn2)CC1	ZINC001131461528	940614967	/nfs/dbraw/zinc/61/49/67/940614967.db2.gz	OZDBQWGNBAWFCW-MJGOQNOKSA-N	1	0	362.474	1.071	20	30		FDEDRO
C=CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NC(C)(C)C)CC1	ZINC001131445400	940616917	/nfs/dbraw/zinc/61/69/17/940616917.db2.gz	VUXDUWSKACPUQE-APWZRJJASA-N	1	0	365.518	1.853	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc[nH]c2C)CC1	ZINC001131467691	940623960	/nfs/dbraw/zinc/62/39/60/940623960.db2.gz	LOHZSNIZKVYSEC-MOPGFXCFSA-N	1	0	359.470	1.572	20	30		FDEDRO
C=CCOCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H](C)OC)CC1	ZINC001131467670	940624152	/nfs/dbraw/zinc/62/41/52/940624152.db2.gz	KKNWMUKBOULWEG-POAQFYNOSA-N	1	0	368.518	1.990	20	30		FDEDRO
CC(C)C#CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2nccn2C)CC1	ZINC001131493512	940644152	/nfs/dbraw/zinc/64/41/52/940644152.db2.gz	FSJFXHYWKRUVDA-XLIONFOSSA-N	1	0	358.486	1.565	20	30		FDEDRO
CC(C)C#CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cncn2C)CC1	ZINC001131493636	940644648	/nfs/dbraw/zinc/64/46/48/940644648.db2.gz	KRSRVNHFPYKWCH-QUCCMNQESA-N	1	0	358.486	1.565	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCc3n[nH]cc32)CC1	ZINC001131496038	940647123	/nfs/dbraw/zinc/64/71/23/940647123.db2.gz	LTCXTVDNGZPXHB-DBVUQKKJSA-N	1	0	370.497	1.839	20	30		FDEDRO
C#CCOCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H](F)CC)CC1	ZINC001131498951	940649275	/nfs/dbraw/zinc/64/92/75/940649275.db2.gz	VKYMOEVTUBFTCV-LMMKCTJWSA-N	1	0	354.466	1.760	20	30		FDEDRO
C#CCOCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H](C)OC)CC1	ZINC001131498953	940649390	/nfs/dbraw/zinc/64/93/90/940649390.db2.gz	VOYWRVVXSBKZNP-SUMDDJOVSA-N	1	0	352.475	1.047	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)c2ccnn2C)CC1	ZINC001131500052	940650817	/nfs/dbraw/zinc/65/08/17/940650817.db2.gz	HDDKPSFXXAZLGB-SUMDDJOVSA-N	1	0	358.486	1.533	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C/C=C\Cl)CC1	ZINC001131502916	940653225	/nfs/dbraw/zinc/65/32/25/940653225.db2.gz	NCYJXMZDJVBGMQ-VZSCHZBWSA-N	1	0	354.878	1.763	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(C)CC2)CC1	ZINC001131503373	940653671	/nfs/dbraw/zinc/65/36/71/940653671.db2.gz	ZYUWNBLOCWPYQO-OIISXLGYSA-N	1	0	363.502	1.463	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn3c(n2)CCCC3)CC1	ZINC001131510596	940659917	/nfs/dbraw/zinc/65/99/17/940659917.db2.gz	RVEDAIFRFJKSAH-XLIONFOSSA-N	1	0	370.497	1.842	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2cn(C)nc2C)CC1	ZINC001131515289	940679624	/nfs/dbraw/zinc/67/96/24/940679624.db2.gz	BQMKQPUVOMLQEA-QUCCMNQESA-N	1	0	360.502	1.833	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H]2CCNC2=O)CC1	ZINC001131511910	940693735	/nfs/dbraw/zinc/69/37/35/940693735.db2.gz	CEAOLFKTYUUOGP-SCTDSRPQSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnc3nccn3c2)CC1	ZINC001131528324	940697863	/nfs/dbraw/zinc/69/78/63/940697863.db2.gz	RJVPEFLHZPPDPL-MSOLQXFVSA-N	1	0	369.469	1.905	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(CC)[nH]c(=O)c2)CC1	ZINC001131528345	940698087	/nfs/dbraw/zinc/69/80/87/940698087.db2.gz	TXJUAXTVBYNBQH-QUCCMNQESA-N	1	0	371.481	1.972	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ncc(OC)cn2)CC1	ZINC001131528541	940698747	/nfs/dbraw/zinc/69/87/47/940698747.db2.gz	YBGDGERPGCSCHZ-SJORKVTESA-N	1	0	358.442	1.108	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2ccc(F)cn2)CC1	ZINC001131522428	940705597	/nfs/dbraw/zinc/70/55/97/940705597.db2.gz	HKJPRBPHIMDIPU-QUCCMNQESA-N	1	0	359.445	1.772	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCC(=O)NC2)CC1	ZINC001131522347	940705632	/nfs/dbraw/zinc/70/56/32/940705632.db2.gz	CWFCJZHYAQZTCJ-LMMKCTJWSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOC)CC1	ZINC001131538066	940725982	/nfs/dbraw/zinc/72/59/82/940725982.db2.gz	FTAJZWCTFGMOMH-HBFSDRIKSA-N	1	0	368.518	1.847	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H]2CCC(=O)N2C)CC1	ZINC001131538932	940726538	/nfs/dbraw/zinc/72/65/38/940726538.db2.gz	YOERNHJAXJPICB-HLIPFELVSA-N	1	0	361.486	1.006	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@]2(F)CCOC2)CC1	ZINC001131548085	940737234	/nfs/dbraw/zinc/73/72/34/940737234.db2.gz	LYUYERNLHFSFHY-ZIFCJYIRSA-N	1	0	370.465	1.303	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC(=O)N(C)C)CC1	ZINC001131574969	940752146	/nfs/dbraw/zinc/75/21/46/940752146.db2.gz	NEPCIGNYBQKFOY-MDYRTPRTSA-N	1	0	365.518	1.805	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)OCCOC)CC1	ZINC001131578456	940756128	/nfs/dbraw/zinc/75/61/28/940756128.db2.gz	YLBAGNRXYMYQRV-JQHSSLGASA-N	1	0	352.475	1.047	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCNC(=O)C2CCC2)CC1	ZINC001131580101	940766246	/nfs/dbraw/zinc/76/62/46/940766246.db2.gz	JRWAZDJZKCDJOU-MJGOQNOKSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCC1(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCO)CC2)CCOCC1	ZINC001131599772	940782996	/nfs/dbraw/zinc/78/29/96/940782996.db2.gz	LFEWZXCXCADHKD-MSOLQXFVSA-N	1	0	366.502	1.337	20	30		FDEDRO
O=C(CC#Cc1ccccc1)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1	ZINC001131607145	940786459	/nfs/dbraw/zinc/78/64/59/940786459.db2.gz	ZHBBSZHQJJEKBI-CTNGQTDRSA-N	1	0	356.466	1.406	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCC(=O)N(CC)CC)CC1	ZINC001131607033	940786572	/nfs/dbraw/zinc/78/65/72/940786572.db2.gz	UGVGIXWAZWPDJN-XLIONFOSSA-N	1	0	363.502	1.254	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCc3c[nH]nc3C2)CC1	ZINC001131607072	940786615	/nfs/dbraw/zinc/78/66/15/940786615.db2.gz	VSTFBCGNHAHZKH-POAQFYNOSA-N	1	0	370.497	1.524	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCCOCC)CC1	ZINC001131610269	940789839	/nfs/dbraw/zinc/78/98/39/940789839.db2.gz	JBYNYZWTHXMCHF-MJGOQNOKSA-N	1	0	352.475	1.049	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)OCC=C)CC1	ZINC001131610255	940789858	/nfs/dbraw/zinc/78/98/58/940789858.db2.gz	IGKVCXCHKHVWGW-UHOSZYNNSA-N	1	0	366.502	1.766	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)Cc2ccccc2)CC1	ZINC001131610259	940789949	/nfs/dbraw/zinc/78/99/49/940789949.db2.gz	IMMJYOQAHNOPCI-IRLDBZIGSA-N	1	0	369.509	1.737	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCC(N)=O)CC1	ZINC001131612249	940792114	/nfs/dbraw/zinc/79/21/14/940792114.db2.gz	FBVYTGCEBXEKNM-PBHICJAKSA-N	1	0	357.882	1.380	20	30		FDEDRO
CC(C)N1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1=O	ZINC001086673346	940834369	/nfs/dbraw/zinc/83/43/69/940834369.db2.gz	CDJNMQZOSMIRLK-JJRVBVJISA-N	1	0	357.458	1.384	20	30		FDEDRO
C#CCOc1ccccc1C[N@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1	ZINC000809784191	940902054	/nfs/dbraw/zinc/90/20/54/940902054.db2.gz	IBEOCFORARWAFU-MRXNPFEDSA-N	1	0	362.495	1.992	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCn3cc(Cl)cn3)C2)c[nH]1	ZINC001086676717	940949073	/nfs/dbraw/zinc/94/90/73/940949073.db2.gz	RGFZIDGHQPBRDD-SWLSCSKDSA-N	1	0	360.849	1.925	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)CC1	ZINC000810060424	940949980	/nfs/dbraw/zinc/94/99/80/940949980.db2.gz	SMXGJHCRONCMMC-ICSRJNTNSA-N	1	0	374.916	1.452	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1	ZINC000810678439	941037154	/nfs/dbraw/zinc/03/71/54/941037154.db2.gz	XUVKCAPLGFGQOT-IBGZPJMESA-N	1	0	359.449	1.814	20	30		FDEDRO
CC[C@H](O)CNN=C(C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1	ZINC000811654024	941146865	/nfs/dbraw/zinc/14/68/65/941146865.db2.gz	LJQMKAXUDUOXJX-INIZCTEOSA-N	1	0	370.519	1.001	20	30		FDEDRO
CCc1ccccc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CC(=O)N(CC)CCC#N	ZINC001132985408	941156590	/nfs/dbraw/zinc/15/65/90/941156590.db2.gz	FUCMUOUWGQXPAR-RBUKOAKNSA-N	1	0	370.497	1.820	20	30		FDEDRO
C#C[C@H](C)N(C)C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000811995114	941177002	/nfs/dbraw/zinc/17/70/02/941177002.db2.gz	LMUJBFAEFPZMNR-KRWDZBQOSA-N	1	0	358.486	1.870	20	30		FDEDRO
N#CCOc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@]34C[C@H]3COC4)C2)cc1	ZINC001086701352	941183397	/nfs/dbraw/zinc/18/33/97/941183397.db2.gz	QXZNQDBQXKDXRC-UGNRZPKXSA-N	1	0	369.465	2.000	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@@H](O)COc2c(C)ccc(C)c2C)CC1	ZINC000747816360	941274195	/nfs/dbraw/zinc/27/41/95/941274195.db2.gz	AUUBPFCNPCYUEW-LJQANCHMSA-N	1	0	358.482	1.813	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(=O)N[C@H](C)c2ccc(C)c(C)c2)CC1	ZINC000747822669	941283798	/nfs/dbraw/zinc/28/37/98/941283798.db2.gz	BUPLMEVAONJOAE-QGZVFWFLSA-N	1	0	355.482	1.942	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](O)CCc2ccccc2)C[C@H]1O	ZINC001195254757	970795788	/nfs/dbraw/zinc/79/57/88/970795788.db2.gz	HAIBUTKLJWOIGI-GUDVDZBRSA-N	1	0	360.498	1.744	20	30		FDEDRO
N#Cc1ccc(C[NH+]2CCC(N3CCn4nnc(CO)c4C3)CC2)cc1	ZINC000813333057	941366551	/nfs/dbraw/zinc/36/65/51/941366551.db2.gz	IRWSKHDRQPFWFL-UHFFFAOYSA-N	1	0	352.442	1.122	20	30		FDEDRO
NC(=O)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC#Cc1cccc(Cl)c1)C2	ZINC001111680262	941399385	/nfs/dbraw/zinc/39/93/85/941399385.db2.gz	MDSMZENCVYBZDK-KXBFYZLASA-N	1	0	359.857	1.538	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cn(-c3cccnc3)nn2)C1	ZINC001086712971	941423743	/nfs/dbraw/zinc/42/37/43/941423743.db2.gz	HNZLVGGWEUKTAP-UONOGXRCSA-N	1	0	360.849	1.903	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1CCC=CO1	ZINC000805503099	941471533	/nfs/dbraw/zinc/47/15/33/941471533.db2.gz	SQEJNSRVGBCIDD-GOSISDBHSA-N	1	0	370.453	1.257	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC1CCN(C(=O)CC(C)C)CC1	ZINC001134053265	941529772	/nfs/dbraw/zinc/52/97/72/941529772.db2.gz	PVGXFGDAWHQJBT-MSOLQXFVSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC1CCCCCCC1	ZINC001134053282	941529852	/nfs/dbraw/zinc/52/98/52/941529852.db2.gz	QMRUIVQTJCRCOC-SJORKVTESA-N	1	0	351.491	1.512	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)N1CCCc2ccccc21	ZINC001134061880	941540406	/nfs/dbraw/zinc/54/04/06/941540406.db2.gz	IEAUOCBMXZMTOZ-SUMDDJOVSA-N	1	0	371.481	1.651	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@H]1CC[C@@H]([NH2+][C@@H]2CCN(CC=C)C2=O)C1	ZINC001086718308	941582708	/nfs/dbraw/zinc/58/27/08/941582708.db2.gz	RBNSGNQVDDZFIV-RCCFBDPRSA-N	1	0	370.497	1.949	20	30		FDEDRO
Cn1c(C#N)ccc1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-]	ZINC001134198129	941600892	/nfs/dbraw/zinc/60/08/92/941600892.db2.gz	SGMHGISXTBXFDR-UHFFFAOYSA-N	1	0	368.397	1.809	20	30		FDEDRO
N#CCOc1cccc(NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)c1	ZINC000814598039	941687254	/nfs/dbraw/zinc/68/72/54/941687254.db2.gz	CKTRTYDMVLXEFQ-UHFFFAOYSA-N	1	0	373.457	1.703	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1	ZINC000747981711	941727452	/nfs/dbraw/zinc/72/74/52/941727452.db2.gz	SXRWQPZBHVIPTR-INIZCTEOSA-N	1	0	362.499	1.522	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)CC1	ZINC000747983088	941730784	/nfs/dbraw/zinc/73/07/84/941730784.db2.gz	ATNRTVGPWWPIPB-LJQANCHMSA-N	1	0	370.497	1.769	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2ccccc2=O)C1	ZINC001195301898	970835275	/nfs/dbraw/zinc/83/52/75/970835275.db2.gz	RPJFTYWYCDJKMC-QZTJIDSGSA-N	1	0	363.502	1.760	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1	ZINC000815082552	941777327	/nfs/dbraw/zinc/77/73/27/941777327.db2.gz	YBKTUMWUYBHVAK-QGZVFWFLSA-N	1	0	369.531	1.042	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)Nc1nccs1	ZINC001135058092	941874028	/nfs/dbraw/zinc/87/40/28/941874028.db2.gz	DLEDADWPGALFMU-RDBSUJKOSA-N	1	0	366.487	1.547	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CCn1c(C)csc1=O	ZINC001135065142	941882115	/nfs/dbraw/zinc/88/21/15/941882115.db2.gz	WFEHOQBUKRLSEO-GJZGRUSLSA-N	1	0	353.488	1.295	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc2oc(=O)n(C)c2c1	ZINC001135142049	941927252	/nfs/dbraw/zinc/92/72/52/941927252.db2.gz	DGFJSWBIUZSCHQ-YOEHRIQHSA-N	1	0	359.426	1.319	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC001086732264	942038033	/nfs/dbraw/zinc/03/80/33/942038033.db2.gz	CUEHPVSWWMKLAV-DGAVXFQQSA-N	1	0	350.381	1.783	20	30		FDEDRO
C[C@@H](CC#N)[N@H+](C)C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1	ZINC000816503490	942233215	/nfs/dbraw/zinc/23/32/15/942233215.db2.gz	AABZFXSCWFPXHS-GJZGRUSLSA-N	1	0	352.479	1.984	20	30		FDEDRO
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](CO)C[NH+]1CCCCC1	ZINC000816568196	942263921	/nfs/dbraw/zinc/26/39/21/942263921.db2.gz	ZZNZLNFPIYSCEY-HNNXBMFYSA-N	1	0	356.426	1.827	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC(=O)N2C)C1	ZINC001086777750	942452934	/nfs/dbraw/zinc/45/29/34/942452934.db2.gz	GICPQWWQXRJAON-XQQFMLRXSA-N	1	0	358.280	1.390	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)c(F)c1	ZINC001086781272	942483791	/nfs/dbraw/zinc/48/37/91/942483791.db2.gz	IUKSXAKAAFIFNB-LNSZTPPCSA-N	1	0	357.429	1.964	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(=O)cn3)C2)ccc1F	ZINC001086788389	942522932	/nfs/dbraw/zinc/52/29/32/942522932.db2.gz	MDQVIJJBMFQTKW-DZGCQCFKSA-N	1	0	369.400	1.469	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(Cl)[nH]3)C2)C1=O	ZINC001086796625	942542215	/nfs/dbraw/zinc/54/22/15/942542215.db2.gz	YNGQYXFMXLUJDX-GZBFAFLISA-N	1	0	364.877	1.943	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cccc(=O)n2C)C1	ZINC001086798760	942623239	/nfs/dbraw/zinc/62/32/39/942623239.db2.gz	FUAOTRIQHKFJMG-QWHCGFSZSA-N	1	0	368.275	1.782	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H](C)c3nncn3C)C2)c1	ZINC001086798340	942634553	/nfs/dbraw/zinc/63/45/53/942634553.db2.gz	IREXUYDEMKGLGL-JLJPHGGASA-N	1	0	352.442	1.441	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnnn3CC)C2)c1	ZINC001086798295	942634650	/nfs/dbraw/zinc/63/46/50/942634650.db2.gz	GSJYCXPLHPRVGQ-DOTOQJQBSA-N	1	0	352.442	1.363	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@@H+]2C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C2)CC1	ZINC000817289368	942660684	/nfs/dbraw/zinc/66/06/84/942660684.db2.gz	XXJUMQADTZJWFZ-IAGOWNOFSA-N	1	0	363.502	1.064	20	30		FDEDRO
C[C@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1C[C@H]1c1ccncc1	ZINC001170863723	942737650	/nfs/dbraw/zinc/73/76/50/942737650.db2.gz	XXXAGTBXWGIGKU-HYVNUMGLSA-N	1	0	357.458	1.089	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1	ZINC000817808974	942962792	/nfs/dbraw/zinc/96/27/92/942962792.db2.gz	VBKUILZTRJJJPH-YESZJQIVSA-N	1	0	355.482	1.767	20	30		FDEDRO
C#CCN(Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000775657462	970958648	/nfs/dbraw/zinc/95/86/48/970958648.db2.gz	ANUUFACLTLGWAL-LJQANCHMSA-N	1	0	361.511	1.061	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2(C)C[NH2+]C2)c1	ZINC000817923104	943080338	/nfs/dbraw/zinc/08/03/38/943080338.db2.gz	RYUBFDJZZFDEFI-XMHGGMMESA-N	1	0	350.444	1.047	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@]12C[C@H]1COC2	ZINC001170887762	943166762	/nfs/dbraw/zinc/16/67/62/943166762.db2.gz	JPIGOWWFDGQCFT-ZWOKBUDYSA-N	1	0	365.518	1.712	20	30		FDEDRO
C[NH+]=C(NCC(=O)NCc1ccco1)N1CCN(c2ccc(F)cc2)CC1	ZINC000113994392	970968593	/nfs/dbraw/zinc/96/85/93/970968593.db2.gz	PHCUXFXCAZAWPY-UHFFFAOYSA-N	1	0	373.432	1.433	20	30		FDEDRO
COC(OC)c1ccc(F)c(C[NH2+]CCNC(=O)C2N=CC=CC2=O)c1	ZINC000818186601	943192907	/nfs/dbraw/zinc/19/29/07/943192907.db2.gz	KWSVVIZVOAJHDE-MSUUIHNZSA-N	1	0	363.389	1.733	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(C)(C)C[NH3+])c1	ZINC000818499599	943256338	/nfs/dbraw/zinc/25/63/38/943256338.db2.gz	VNUZUWNXMKDTSN-RGEXLXHISA-N	1	0	352.460	1.423	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1cc(Br)c(C)nc1OC	ZINC000818615583	943302782	/nfs/dbraw/zinc/30/27/82/943302782.db2.gz	RKWLPDRAPLQQIQ-UHFFFAOYSA-N	1	0	354.248	1.846	20	30		FDEDRO
C=CCN(Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000775659251	970982147	/nfs/dbraw/zinc/98/21/47/970982147.db2.gz	HIZYXCLBJBCOKO-IBGZPJMESA-N	1	0	363.527	1.614	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@H]1CC(=O)N(c2ccccc2OCC)C1	ZINC000818603318	943328646	/nfs/dbraw/zinc/32/86/46/943328646.db2.gz	YATFDGBDFVTVGA-INIZCTEOSA-N	1	0	357.454	1.510	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CO[C@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000818603143	943328810	/nfs/dbraw/zinc/32/88/10/943328810.db2.gz	PLXCAKXNCLBORB-INIZCTEOSA-N	1	0	367.490	1.474	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@H]1CC(=O)N(c2cc(C)ccc2OC)C1	ZINC000818606256	943329817	/nfs/dbraw/zinc/32/98/17/943329817.db2.gz	HOXPHOWEJOVJGD-INIZCTEOSA-N	1	0	357.454	1.428	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000818995762	943376488	/nfs/dbraw/zinc/37/64/88/943376488.db2.gz	YDMMVEWZKQYNAF-JKSUJKDBSA-N	1	0	354.495	1.429	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000818995760	943376624	/nfs/dbraw/zinc/37/66/24/943376624.db2.gz	YDMMVEWZKQYNAF-HOTGVXAUSA-N	1	0	354.495	1.429	20	30		FDEDRO
C[C@]1(c2ccc(C[NH2+]C[C@@H](O)c3ccc(C#N)cc3)cc2)NC(=O)NC1=O	ZINC000818997578	943377685	/nfs/dbraw/zinc/37/76/85/943377685.db2.gz	GEXWMSPSWLBZNV-YLJYHZDGSA-N	1	0	364.405	1.436	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccnc3C)C2)nn1	ZINC001086823265	943384885	/nfs/dbraw/zinc/38/48/85/943384885.db2.gz	VFZPHAOGGAWSOX-DOTOQJQBSA-N	1	0	354.458	1.856	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H](C)c3cnccn3)C2)nn1	ZINC001086823385	943387616	/nfs/dbraw/zinc/38/76/16/943387616.db2.gz	BUBDJMDWAIOXFJ-QLFBSQMISA-N	1	0	355.446	1.503	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc(C4CC4)[nH]3)C2)nn1	ZINC001086823655	943390589	/nfs/dbraw/zinc/39/05/89/943390589.db2.gz	PFOFTBGETANBSH-GXTWGEPZSA-N	1	0	370.461	1.148	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccnn3C)C2)nn1	ZINC001086824721	943414430	/nfs/dbraw/zinc/41/44/30/943414430.db2.gz	VVRVAKAWCQSFGA-LSDHHAIUSA-N	1	0	357.462	1.276	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3coc(C)n3)C2)nn1	ZINC001086825116	943437610	/nfs/dbraw/zinc/43/76/10/943437610.db2.gz	RCICQAPIBKBLOP-LSDHHAIUSA-N	1	0	358.446	1.839	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2COC3(CCOCC3)O2)cc1	ZINC000819216689	943491310	/nfs/dbraw/zinc/49/13/10/943491310.db2.gz	WSHJUEHEQPYHHE-FUHWJXTLSA-N	1	0	362.426	1.004	20	30		FDEDRO
COC(=O)N1CCC(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000819308223	943511532	/nfs/dbraw/zinc/51/15/32/943511532.db2.gz	OSCUDHBLPZXVNY-UHFFFAOYSA-N	1	0	365.455	1.400	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+]C[C@H](O)c2ccc(C#N)cc2)C1	ZINC000819358777	943541147	/nfs/dbraw/zinc/54/11/47/943541147.db2.gz	PWLQLFZRWCVVMA-SJORKVTESA-N	1	0	361.442	1.817	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CCN1CCO	ZINC000819503092	943599612	/nfs/dbraw/zinc/59/96/12/943599612.db2.gz	HYCUYDLGQSVCJI-HUUCEWRRSA-N	1	0	368.478	1.099	20	30		FDEDRO
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC000856255259	971015035	/nfs/dbraw/zinc/01/50/35/971015035.db2.gz	OARASLBMOKRAQQ-INIZCTEOSA-N	1	0	368.437	1.922	20	30		FDEDRO
O=C(N[C@H]1CCN(O)C1=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F	ZINC000820137250	943910288	/nfs/dbraw/zinc/91/02/88/943910288.db2.gz	LUNGJPBVPCOQBC-KBPBESRZSA-N	1	0	353.369	1.250	20	30		FDEDRO
CON=C(C(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1csc(N)n1	ZINC000820166887	943923075	/nfs/dbraw/zinc/92/30/75/943923075.db2.gz	ZTPQXWNCXXZLND-UHFFFAOYSA-N	1	0	351.476	1.553	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(F)c3ccncc23)C1	ZINC001195548928	971040856	/nfs/dbraw/zinc/04/08/56/971040856.db2.gz	LHNFKAMSASEOEL-QZTJIDSGSA-N	1	0	359.401	1.351	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NCC[N@H+]2CC[C@@H](C)C2)s1	ZINC000820484796	944067871	/nfs/dbraw/zinc/06/78/71/944067871.db2.gz	FWIOBTHIHSXZGC-CYBMUJFWSA-N	1	0	371.528	1.213	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1	ZINC000856354677	971090461	/nfs/dbraw/zinc/09/04/61/971090461.db2.gz	JFEVCVICMYQKPD-JVMRMLDLSA-N	1	0	368.437	1.294	20	30		FDEDRO
C#CCCN(CCOC)C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1	ZINC000856391256	971112782	/nfs/dbraw/zinc/11/27/82/971112782.db2.gz	PGCGYROBVLNXJU-MOPGFXCFSA-N	1	0	360.502	1.732	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)s1	ZINC000822117914	944853031	/nfs/dbraw/zinc/85/30/31/944853031.db2.gz	AOSGSQDZKXBUBE-ZIAGYGMSSA-N	1	0	371.528	1.354	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)C[N@H+](C)C(C)C)s1	ZINC000823023804	945429165	/nfs/dbraw/zinc/42/91/65/945429165.db2.gz	OENJIAXWPMVTIU-CYBMUJFWSA-N	1	0	373.544	1.600	20	30		FDEDRO
C#C[C@H](NC(=O)NC(C)(C)CN1CC[NH+](CC)CC1)C1CCOCC1	ZINC000823164156	945546495	/nfs/dbraw/zinc/54/64/95/945546495.db2.gz	SHRSVUBNTYAZOV-KRWDZBQOSA-N	1	0	350.507	1.130	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1	ZINC000265999584	971173188	/nfs/dbraw/zinc/17/31/88/971173188.db2.gz	NIKGLBDIRJASBQ-UHFFFAOYSA-N	1	0	358.442	1.805	20	30		FDEDRO
CC[NH+](CC)CC(=O)N[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@H]1C	ZINC001090715697	945955458	/nfs/dbraw/zinc/95/54/58/945955458.db2.gz	SCOIUUMDIDVPRF-GHMZBOCLSA-N	1	0	355.895	1.951	20	30		FDEDRO
C[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc(O)cc3)cc2C#N)CC1	ZINC001195794699	971236398	/nfs/dbraw/zinc/23/63/98/971236398.db2.gz	HBRLCPDSGXWBQJ-UHFFFAOYSA-N	1	0	372.450	1.816	20	30		FDEDRO
C=CC[N@@H+](CCc1ccco1)C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1	ZINC000823909554	946514707	/nfs/dbraw/zinc/51/47/07/946514707.db2.gz	INMPGSOMUBCZGL-MRXNPFEDSA-N	1	0	369.425	1.930	20	30		FDEDRO
C#CCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573281628	946679965	/nfs/dbraw/zinc/67/99/65/946679965.db2.gz	ACZFRROETDEIFT-VNQPRFMTSA-N	1	0	367.457	1.437	20	30		FDEDRO
C#CCCCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573284519	946750036	/nfs/dbraw/zinc/75/00/36/946750036.db2.gz	FNFJIBDLUHSEPW-STQMWFEESA-N	1	0	358.421	1.792	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](CC)[NH2+][C@@H](C)C2)s1	ZINC000824752385	946757680	/nfs/dbraw/zinc/75/76/80/946757680.db2.gz	GCFVAMWMCRHODX-QWHCGFSZSA-N	1	0	371.528	1.354	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573284832	946759795	/nfs/dbraw/zinc/75/97/95/946759795.db2.gz	MVDWRZXGQGJPCL-DYVFJYSZSA-N	1	0	370.432	1.746	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(CCc1ccccc1)CC[NH+](C)C	ZINC000824980782	946920289	/nfs/dbraw/zinc/92/02/89/946920289.db2.gz	JGXOPAVNMSRRRA-OALUTQOASA-N	1	0	373.497	1.327	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)c1	ZINC001573292552	946936733	/nfs/dbraw/zinc/93/67/33/946936733.db2.gz	XOCFKCFRHKBZCR-GOSISDBHSA-N	1	0	373.420	1.247	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573293017	946945638	/nfs/dbraw/zinc/94/56/38/946945638.db2.gz	JQPSVJYFZLWCKN-MRVPVSSYSA-N	1	0	368.239	1.059	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)C1CCC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1	ZINC001573560668	946956249	/nfs/dbraw/zinc/95/62/49/946956249.db2.gz	FGPIWNBOPMCEDZ-NVPAJSRCSA-N	1	0	367.457	1.886	20	30		FDEDRO
C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1	ZINC001573293821	946971057	/nfs/dbraw/zinc/97/10/57/946971057.db2.gz	KRHVDTWDSKBYEM-CYBMUJFWSA-N	1	0	357.462	1.991	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC2(C1)CCC[N@H+](Cc1ccc(-c3nn[nH]n3)s1)C2	ZINC001573562692	946979454	/nfs/dbraw/zinc/97/94/54/946979454.db2.gz	WFBJPYACYYSUOD-LBPRGKRZSA-N	1	0	371.470	1.512	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC2(C1)CCC[N@H+](Cc1ccc(-c3nn[nH]n3)s1)C2	ZINC001573562691	946979671	/nfs/dbraw/zinc/97/96/71/946979671.db2.gz	WFBJPYACYYSUOD-GFCCVEGCSA-N	1	0	371.470	1.512	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@]2(C)C1	ZINC001573294165	946980485	/nfs/dbraw/zinc/98/04/85/946980485.db2.gz	XAHUMGRBJHSUME-KDURUIRLSA-N	1	0	369.473	1.945	20	30		FDEDRO
C=C(Cl)C[NH+]1CCC2(CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)CC1	ZINC001573294612	946993445	/nfs/dbraw/zinc/99/34/45/946993445.db2.gz	DRJDSRVQPUGPGP-UHFFFAOYSA-N	1	0	361.837	1.485	20	30		FDEDRO
C#CCCOc1ccc(CN2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)cc1	ZINC000825147743	946995145	/nfs/dbraw/zinc/99/51/45/946995145.db2.gz	LANAMPYBEKOOIT-IBGZPJMESA-N	1	0	355.482	1.875	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573565688	947012939	/nfs/dbraw/zinc/01/29/39/947012939.db2.gz	ULSNLPAGIOVILK-OCCSQVGLSA-N	1	0	371.420	1.446	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC2(C[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)CC1	ZINC001573565708	947014215	/nfs/dbraw/zinc/01/42/15/947014215.db2.gz	UUEWNPXBLHNVKL-GFCCVEGCSA-N	1	0	371.470	1.512	20	30		FDEDRO
C=C1CC(C)(C(=O)NC[C@@H]2[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]32)C1	ZINC001573295722	947025532	/nfs/dbraw/zinc/02/55/32/947025532.db2.gz	HVCYTQPWTSTBKH-XMQYKBBCSA-N	1	0	365.441	1.416	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F	ZINC001573566484	947027951	/nfs/dbraw/zinc/02/79/51/947027951.db2.gz	CHLZPGQGRJJSCO-RISCZKNCSA-N	1	0	357.393	1.246	20	30		FDEDRO
C=C1CCC(C(=O)N(CC)CCNc2cc(C)[nH+]cc2-c2nn[nH]n2)CC1	ZINC001573295972	947034486	/nfs/dbraw/zinc/03/44/86/947034486.db2.gz	IKEDCOFYIJYWCN-UHFFFAOYSA-N	1	0	369.473	1.999	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573567696	947052271	/nfs/dbraw/zinc/05/22/71/947052271.db2.gz	RAIBHEOEEHMNKX-CZUORRHYSA-N	1	0	353.430	1.449	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573296900	947057953	/nfs/dbraw/zinc/05/79/53/947057953.db2.gz	ARIYQQYMTKUGNB-GFCCVEGCSA-N	1	0	351.842	1.681	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573297156	947062357	/nfs/dbraw/zinc/06/23/57/947062357.db2.gz	FCJJKEKEQGHSNP-MFKMUULPSA-N	1	0	363.853	1.778	20	30		FDEDRO
C[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1	ZINC001090842615	947097109	/nfs/dbraw/zinc/09/71/09/947097109.db2.gz	RZDPKYWGXSFVQK-NVXWUHKLSA-N	1	0	371.485	1.253	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1[N@H+](Cc1cccc(-c3nn[nH]n3)c1)CC2	ZINC001573571978	947106854	/nfs/dbraw/zinc/10/68/54/947106854.db2.gz	CCIMGOIQHZQNFQ-NRXGSXMXSA-N	1	0	365.441	1.640	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC1(C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCCC1	ZINC001573572503	947114268	/nfs/dbraw/zinc/11/42/68/947114268.db2.gz	JEBUUPJTQNKCNP-LBPRGKRZSA-N	1	0	371.420	1.684	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1	ZINC001573572487	947114501	/nfs/dbraw/zinc/11/45/01/947114501.db2.gz	IULYBXVIDFARAA-JSGCOSHPSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@H](C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(-c2nn[nH]n2)c1	ZINC001573572728	947115550	/nfs/dbraw/zinc/11/55/50/947115550.db2.gz	JOVVCOZIJKLQEI-FCLXEUQJSA-N	1	0	365.441	1.638	20	30		FDEDRO
C=C(C)CCC(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccccc1-c1nn[nH]n1	ZINC001573300829	947121636	/nfs/dbraw/zinc/12/16/36/947121636.db2.gz	USLONTLMDMDIHK-INIZCTEOSA-N	1	0	372.473	1.474	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1	ZINC001573573644	947123335	/nfs/dbraw/zinc/12/33/35/947123335.db2.gz	ORBQFQYVVGLCKL-TZMCWYRMSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CC1	ZINC001573575332	947137510	/nfs/dbraw/zinc/13/75/10/947137510.db2.gz	XBZMPVUSUBFVLP-ZUZCIYMTSA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@H](C#N)C(=O)NC1(C2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)CC1	ZINC001573575365	947138179	/nfs/dbraw/zinc/13/81/79/947138179.db2.gz	XUJVKIIKHUHJIQ-GFCCVEGCSA-N	1	0	366.429	1.287	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@H]1CCCCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1	ZINC001573576625	947154317	/nfs/dbraw/zinc/15/43/17/947154317.db2.gz	IIGHXZZWVYQEGR-RHSMWYFYSA-N	1	0	367.457	1.887	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@@H]([NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1	ZINC001573576607	947154474	/nfs/dbraw/zinc/15/44/74/947154474.db2.gz	ICUVFXXSJCLQJU-ZUZCIYMTSA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@@]1(C)CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573578049	947180341	/nfs/dbraw/zinc/18/03/41/947180341.db2.gz	XQEXLEGHPUOZPA-IFXJQAMLSA-N	1	0	367.457	1.745	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@]1(C)CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573309752	947207780	/nfs/dbraw/zinc/20/77/80/947207780.db2.gz	NXZPDXORHAEJHH-RBUKOAKNSA-N	1	0	370.457	1.274	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573584219	947216565	/nfs/dbraw/zinc/21/65/65/947216565.db2.gz	RLBVVFJCBYVADG-RYUDHWBXSA-N	1	0	357.393	1.104	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC[C@@H]1CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573584391	947221641	/nfs/dbraw/zinc/22/16/41/947221641.db2.gz	VDUURQBNRBBEGU-QWHCGFSZSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@@H]1CCC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573584378	947221948	/nfs/dbraw/zinc/22/19/48/947221948.db2.gz	VATRTOLPZOKUMR-STQMWFEESA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1	ZINC001573585139	947245663	/nfs/dbraw/zinc/24/56/63/947245663.db2.gz	LDAYECUHYUKRSO-YMRXKLBXSA-N	1	0	374.408	1.037	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1	ZINC001573315776	947260499	/nfs/dbraw/zinc/26/04/99/947260499.db2.gz	PJUIZTKCHYCRGA-BLLLJJGKSA-N	1	0	355.446	1.593	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2COC(=O)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090869253	947383736	/nfs/dbraw/zinc/38/37/36/947383736.db2.gz	UKPDVPVLXWVWMG-FHLIZLRMSA-N	1	0	356.422	1.166	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C1	ZINC001573334565	947460212	/nfs/dbraw/zinc/46/02/12/947460212.db2.gz	OMPYJGUUXDTPRW-DVOMOZLQSA-N	1	0	355.446	1.696	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@]2(C)C1	ZINC001573335493	947479495	/nfs/dbraw/zinc/47/94/95/947479495.db2.gz	PNINCGQROBIYPP-KDURUIRLSA-N	1	0	369.473	1.945	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2[nH]c(=O)[nH]c2C)C[C@H]1c1ccc(OC)cc1	ZINC001090874806	947484362	/nfs/dbraw/zinc/48/43/62/947484362.db2.gz	SBYYMVHGQLWIBX-JKSUJKDBSA-N	1	0	354.410	1.263	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H]([NH2+][C@@H]2CCNC2=O)C1	ZINC001090877665	947540895	/nfs/dbraw/zinc/54/08/95/947540895.db2.gz	YRVVHXMLEFQCOS-RCCFBDPRSA-N	1	0	371.481	1.680	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCCC(=O)N2)C[C@H]1c1ccc(OC)cc1	ZINC001090876193	947555453	/nfs/dbraw/zinc/55/54/53/947555453.db2.gz	RHZWRJSXFWDXSN-NZSAHSFTSA-N	1	0	369.465	1.271	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1	ZINC001573343335	947556258	/nfs/dbraw/zinc/55/62/58/947556258.db2.gz	NEQXZUHSOYWBOI-GFCCVEGCSA-N	1	0	362.459	1.069	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1c1ccc(OC)cc1	ZINC001090876788	947561460	/nfs/dbraw/zinc/56/14/60/947561460.db2.gz	ALZMYDTXYMNGPC-FGTMMUONSA-N	1	0	357.454	1.291	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1c1ccc(OC)cc1	ZINC001090880603	947592431	/nfs/dbraw/zinc/59/24/31/947592431.db2.gz	AVMDUCRGBRRBEO-UEXGIBASSA-N	1	0	371.481	1.682	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](c3ccc(OC)cc3)[C@H]([NH2+]CC(N)=O)C2)CC1	ZINC001090878964	947618148	/nfs/dbraw/zinc/61/81/48/947618148.db2.gz	CILHEFLJKMNGTC-RBUKOAKNSA-N	1	0	371.481	1.811	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn3cc[nH]c23)C[C@H]1c1ccc(OC)cc1	ZINC001090884159	947636041	/nfs/dbraw/zinc/63/60/41/947636041.db2.gz	AJZWYYZHCXPSKK-ZWKOTPCHSA-N	1	0	363.421	1.502	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2cnccn2)C[C@H]1c1ccc(OC)cc1	ZINC001090884683	947646873	/nfs/dbraw/zinc/64/68/73/947646873.db2.gz	GUKUKHPAEVMIDM-VQTJNVASSA-N	1	0	364.449	1.635	20	30		FDEDRO
CC#CCCCC(=O)NC[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1	ZINC001573358968	947674370	/nfs/dbraw/zinc/67/43/70/947674370.db2.gz	SJTPMHWZVWOTOU-OAHLLOKOSA-N	1	0	367.457	1.706	20	30		FDEDRO
CO[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)CCC[NH+]1CCCCC1	ZINC001090892846	947753653	/nfs/dbraw/zinc/75/36/53/947753653.db2.gz	JUWPKFAEQCUCSH-IEBWSBKVSA-N	1	0	371.485	1.539	20	30		FDEDRO
[NH3+]Cc1ccc2c(c1)CCCN2C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000844164107	947843558	/nfs/dbraw/zinc/84/35/58/947843558.db2.gz	DAXVIXLFFRGFLI-VHEBQXMUSA-N	1	0	354.410	1.341	20	30		FDEDRO
CN(C)S(=O)(=O)c1ccc(C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)cc1	ZINC000844368151	948017542	/nfs/dbraw/zinc/01/75/42/948017542.db2.gz	WXCCMJZYWMNQBG-IBGZPJMESA-N	1	0	373.478	1.974	20	30		FDEDRO
N#Cc1cncc(C[N@H+]2CC[C@H]3OCC[C@@]3(C(=O)NCc3ccco3)C2)c1	ZINC001144075292	948189110	/nfs/dbraw/zinc/18/91/10/948189110.db2.gz	MBIVHZQMAKFQTP-UYAOXDASSA-N	1	0	366.421	1.844	20	30		FDEDRO
N#Cc1cncc(C[N@H+]2C[C@@H]3COC[C@H](C(=O)Nc4cnccn4)[C@@H]3C2)c1	ZINC001144076078	948190294	/nfs/dbraw/zinc/19/02/94/948190294.db2.gz	YCTBAVVVDNZWEY-ZACQAIPSSA-N	1	0	364.409	1.076	20	30		FDEDRO
N#Cc1cncc(C[N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccco4)[C@H]3C2)c1	ZINC001144079842	948199010	/nfs/dbraw/zinc/19/90/10/948199010.db2.gz	KWLVJUMXVVISEG-JENIJYKNSA-N	1	0	366.421	1.813	20	30		FDEDRO
N#Cc1cncc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCOCC3)C2)c1	ZINC001144080019	948200154	/nfs/dbraw/zinc/20/01/54/948200154.db2.gz	AQQNBCBFEQKJEO-QRVBRYPASA-N	1	0	370.453	1.039	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1Nc1cnc(C#N)cn1	ZINC001090975926	948211612	/nfs/dbraw/zinc/21/16/12/948211612.db2.gz	GUHMDZOIQTXVMO-NVXWUHKLSA-N	1	0	356.474	1.873	20	30		FDEDRO
CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccc(C#N)nn2)C1)C(C)C	ZINC001090993839	948282037	/nfs/dbraw/zinc/28/20/37/948282037.db2.gz	VOBICFZPUKXXHA-QGPMSJSTSA-N	1	0	358.490	1.973	20	30		FDEDRO
CC[NH+](CC)[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccc(C#N)nn2)C1)C(C)C	ZINC001090993838	948282528	/nfs/dbraw/zinc/28/25/28/948282528.db2.gz	VOBICFZPUKXXHA-KYJSFNMBSA-N	1	0	358.490	1.973	20	30		FDEDRO
C[C@@H](COCC(=O)N1C[C@@H](C)[C@H](Nc2ncccc2C#N)C1)[NH+]1CCCC1	ZINC001091024421	948517398	/nfs/dbraw/zinc/51/73/98/948517398.db2.gz	LIHMXDSIZWPJGO-SOLBZPMBSA-N	1	0	371.485	1.713	20	30		FDEDRO
CC[C@@H](C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O)[NH+](CC)CC	ZINC001196115492	971486440	/nfs/dbraw/zinc/48/64/40/971486440.db2.gz	PDDBVIQZDNPCNM-HSALFYBXSA-N	1	0	357.498	1.320	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC3(C1)CS(=O)(=O)C3)C2	ZINC001110714778	971483003	/nfs/dbraw/zinc/48/30/03/971483003.db2.gz	GGNJRWZEIKFWNG-OAGGEKHMSA-N	1	0	352.500	1.499	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC([NH2+]Cc2cn(C(C)C)nn2)C1	ZINC001091034742	948560087	/nfs/dbraw/zinc/56/00/87/948560087.db2.gz	TWPQMTCLDUUKNV-UQVLAFNGSA-N	1	0	361.490	1.825	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ncnn2CCF)C1	ZINC001091034826	948560172	/nfs/dbraw/zinc/56/01/72/948560172.db2.gz	VZBGCNUKSSBQJY-FJBKBRRZSA-N	1	0	365.453	1.213	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000845105841	948683171	/nfs/dbraw/zinc/68/31/71/948683171.db2.gz	DLQBFWIGNXZHSV-GOSISDBHSA-N	1	0	365.499	1.551	20	30		FDEDRO
C[NH+](C)CCC(=O)N1CCO[C@@H]2CN(c3nc(Cl)c(C#N)s3)C[C@@H]21	ZINC001091057040	948820126	/nfs/dbraw/zinc/82/01/26/948820126.db2.gz	YPMNRDIBPDWMGT-WDEREUQCSA-N	1	0	369.878	1.036	20	30		FDEDRO
CC[NH+](CC)CC[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC001196184331	971530282	/nfs/dbraw/zinc/53/02/82/971530282.db2.gz	USWIMEXEKKMRJA-LBPRGKRZSA-N	1	0	354.432	1.865	20	30		FDEDRO
C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2cnc(-c3nn[nH]n3)c(C#N)n2)C1	ZINC001575515063	949181221	/nfs/dbraw/zinc/18/12/21/949181221.db2.gz	FQPGSBXYJICFFA-JSGCOSHPSA-N	1	0	361.413	1.776	20	30		FDEDRO
CC[C@@H](C(=O)N[C@@H]1CN(CC#Cc2ccccc2Cl)C[C@H]1O)[NH+](C)C	ZINC001196267532	971580481	/nfs/dbraw/zinc/58/04/81/971580481.db2.gz	AAUSDIMISLDAFY-FGTMMUONSA-N	1	0	363.889	1.193	20	30		FDEDRO
C[C@H]([NH3+])CCNC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000857115787	971588637	/nfs/dbraw/zinc/58/86/37/971588637.db2.gz	SONJKSQOPVJOMP-AWEZNQCLSA-N	1	0	352.442	1.675	20	30		FDEDRO
C=C[C@H](C)ONC(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1	ZINC000845620692	949701355	/nfs/dbraw/zinc/70/13/55/949701355.db2.gz	VTVYTIWSOZMJMY-AWEZNQCLSA-N	1	0	360.458	1.689	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C[NH+]2CCCC2)cc1	ZINC000845675756	949756050	/nfs/dbraw/zinc/75/60/50/949756050.db2.gz	KIAHPSXNQXBRJP-AWEZNQCLSA-N	1	0	350.440	1.239	20	30		FDEDRO
C#Cc1ccc(C[NH+]2CCC3(CC2)CN(c2cncnc2)C(=O)CO3)cc1	ZINC001144572258	949953988	/nfs/dbraw/zinc/95/39/88/949953988.db2.gz	VYYAUVPBDKGLIZ-UHFFFAOYSA-N	1	0	362.433	1.856	20	30		FDEDRO
CC(C)C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H](C)C#N	ZINC001574150591	950031550	/nfs/dbraw/zinc/03/15/50/950031550.db2.gz	CAFOZWPIXKLCLI-DOMZBBRYSA-N	1	0	373.436	1.786	20	30		FDEDRO
CC(C)C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@H](C)C#N	ZINC001574151665	950088605	/nfs/dbraw/zinc/08/86/05/950088605.db2.gz	XNRBVBXWUISRAV-TZMCWYRMSA-N	1	0	373.436	1.786	20	30		FDEDRO
C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001574984027	950256267	/nfs/dbraw/zinc/25/62/67/950256267.db2.gz	VOTWEYILPSNSTP-JTQLQIEISA-N	1	0	368.376	1.114	20	30		FDEDRO
COCCN1CCN(S(=O)(=O)c2cccc(F)c2C#N)C(C)(C)C1	ZINC000846016170	950336193	/nfs/dbraw/zinc/33/61/93/950336193.db2.gz	UJOHVJVGTAGVEU-UHFFFAOYSA-N	1	0	355.435	1.429	20	30		FDEDRO
CC[C@H](C(=O)N[C@@H]1CN(c2nc(C)ccc2C#N)C[C@@H]1O)[NH+](CC)CC	ZINC001091181322	950339611	/nfs/dbraw/zinc/33/96/11/950339611.db2.gz	ZEVVANLFWRRDTP-ZACQAIPSSA-N	1	0	359.474	1.048	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(C(=O)/C=C/C(=O)c3ccccc3)CC[C@@H]2C1	ZINC001144705615	950485176	/nfs/dbraw/zinc/48/51/76/950485176.db2.gz	UUVKLAVJTOBHKA-PORCLINASA-N	1	0	372.465	1.621	20	30		FDEDRO
C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1	ZINC001574995963	950518689	/nfs/dbraw/zinc/51/86/89/950518689.db2.gz	IVAGLSZNKNFQGP-JTQLQIEISA-N	1	0	370.442	1.378	20	30		FDEDRO
CC(=O)N1CCOC[C@@]2(CN([C@H](C)Cc3cccc(C#N)c3)CCO2)C1	ZINC001171213208	950545530	/nfs/dbraw/zinc/54/55/30/950545530.db2.gz	WYPLSUMQEWJQIQ-OXQOHEQNSA-N	1	0	357.454	1.439	20	30		FDEDRO
C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCCn2nnc(Cn3cnnc3)c2C1	ZINC001171216291	950577711	/nfs/dbraw/zinc/57/77/11/950577711.db2.gz	HKQPUEVQXMZKNX-OAHLLOKOSA-N	1	0	362.441	1.626	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)nc1	ZINC000846139224	950619220	/nfs/dbraw/zinc/61/92/20/950619220.db2.gz	XUXXLTPFNZEWEE-ULQDDVLXSA-N	1	0	372.473	1.293	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCc2ccc(F)cc2)C1	ZINC001196408293	971679797	/nfs/dbraw/zinc/67/97/97/971679797.db2.gz	YRVWDKWGAPFWEY-QZTJIDSGSA-N	1	0	350.434	1.512	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc(F)c(F)cc2F)C1	ZINC001196415256	971683752	/nfs/dbraw/zinc/68/37/52/971683752.db2.gz	GHHZASYILXQHAA-HZPDHXFCSA-N	1	0	358.360	1.010	20	30		FDEDRO
N#Cc1cncc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1	ZINC000846235509	950765038	/nfs/dbraw/zinc/76/50/38/950765038.db2.gz	XHQSBDAGNUXBMH-FVQBIDKESA-N	1	0	350.444	1.003	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC([NH2+]Cc2c(C)nn(C)c2Cl)C1	ZINC001091238351	951124595	/nfs/dbraw/zinc/12/45/95/951124595.db2.gz	TYEFFUVYEBYRFP-MNSOJDNVSA-N	1	0	366.893	1.957	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC([NH2+]Cc2cc(CO)ccc2F)C1	ZINC001091243653	951143672	/nfs/dbraw/zinc/14/36/72/951143672.db2.gz	SCKXOTLCZWSVFL-SYARIVLMSA-N	1	0	362.445	1.894	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC([NH2+]CCn2nc(C)nc2C)C1	ZINC001091278702	951296185	/nfs/dbraw/zinc/29/61/85/951296185.db2.gz	ZQOUPPXILUTXLD-FOIPXRHGSA-N	1	0	361.490	1.361	20	30		FDEDRO
C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1	ZINC001091279472	951298639	/nfs/dbraw/zinc/29/86/39/951298639.db2.gz	IVCVCIKXEAPSFZ-GYTBAZASSA-N	1	0	352.866	1.525	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CCCC[C@H]1Nc1cnc(C#N)cn1	ZINC001091281061	951303542	/nfs/dbraw/zinc/30/35/42/951303542.db2.gz	YLRYMTAYISCQHS-ARFHVFGLSA-N	1	0	362.453	1.867	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(C#N)n1	ZINC001091281027	951303730	/nfs/dbraw/zinc/30/37/30/951303730.db2.gz	XRLFAISZGOMSRV-RBSFLKMASA-N	1	0	362.453	1.289	20	30		FDEDRO
CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(C#N)n1)[NH+](CC)CC	ZINC001091297357	951343384	/nfs/dbraw/zinc/34/33/84/951343384.db2.gz	YOXAABOXBOKDEY-OAGGEKHMSA-N	1	0	358.490	1.730	20	30		FDEDRO
C[NH+]1CCC(ONC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1	ZINC000846646245	951408049	/nfs/dbraw/zinc/40/80/49/951408049.db2.gz	AMECHTYZGPOFED-UHFFFAOYSA-N	1	0	365.455	1.520	20	30		FDEDRO
C=CCOC[C@H](O)C[NH2+][C@H]1Cc2ccc(I)cc2C1	ZINC001252488361	971749246	/nfs/dbraw/zinc/74/92/46/971749246.db2.gz	LHHMGBRTWPDVQP-LSDHHAIUSA-N	1	0	373.234	1.912	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)c1ccc(Cl)cc1	ZINC000846717696	951479106	/nfs/dbraw/zinc/47/91/06/951479106.db2.gz	ORORYUHICFCYJO-MRXNPFEDSA-N	1	0	362.861	1.430	20	30		FDEDRO
C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1	ZINC000846720023	951483163	/nfs/dbraw/zinc/48/31/63/951483163.db2.gz	CWZQNMCDDNAANN-YJBOKZPZSA-N	1	0	372.469	1.041	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1	ZINC000846732366	951506143	/nfs/dbraw/zinc/50/61/43/951506143.db2.gz	BRLHGDHVIRWYKW-ZWKOTPCHSA-N	1	0	372.469	1.041	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NCCC[N@@H+](CC)C1CCCCC1)[C@@H]1CCCO1	ZINC000846738992	951544619	/nfs/dbraw/zinc/54/46/19/951544619.db2.gz	NXNMDUINIAGQNJ-ROUUACIJSA-N	1	0	363.502	1.444	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2C[N@H+](Cc3cc(=O)[nH]c(C4CC4)n3)C[C@@]2(C)C1	ZINC001091545279	951984731	/nfs/dbraw/zinc/98/47/31/951984731.db2.gz	NTWXPYXIGAREBS-TVZGQMOCSA-N	1	0	355.442	1.500	20	30		FDEDRO
Cc1ncc(C[N@@H+]2C[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@]3(C)C2)cn1	ZINC001091574505	952112041	/nfs/dbraw/zinc/11/20/41/952112041.db2.gz	JCRVPDIHBDRCTR-APWZRJJASA-N	1	0	350.426	1.579	20	30		FDEDRO
CCc1nc(C#N)cc(N[C@@H]2CC[C@H](CNC(=O)C[NH+](CC)CC)C2)n1	ZINC001091579199	952126608	/nfs/dbraw/zinc/12/66/08/952126608.db2.gz	APLILVSHBWOREV-LSDHHAIUSA-N	1	0	358.490	1.949	20	30		FDEDRO
N#Cc1nccc(N[C@@H]2CC[C@H](CNC(=O)CCC[NH+]3CCCCC3)C2)n1	ZINC001091579652	952128625	/nfs/dbraw/zinc/12/86/25/952128625.db2.gz	PHPYULPGALGYBF-DLBZAZTESA-N	1	0	370.501	1.733	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ncccc4C)C[C@]3(C)C2)C1=O	ZINC001091580359	952131553	/nfs/dbraw/zinc/13/15/53/952131553.db2.gz	QIMAVAMFOMVKGZ-LZJOCLMNSA-N	1	0	368.481	1.571	20	30		FDEDRO
CC(C)N1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@]3(C)C2)C1=O	ZINC001091605491	952233962	/nfs/dbraw/zinc/23/39/62/952233962.db2.gz	XPKPSWQVGBIABT-LIVBEALHSA-N	1	0	369.469	1.290	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1	ZINC001146932929	952255554	/nfs/dbraw/zinc/25/55/54/952255554.db2.gz	JJZVEBSBEVPACR-KGYLQXTDSA-N	1	0	369.387	1.604	20	30		FDEDRO
Cc1cc(N[C@@H]2CC[C@H](CNC(=O)C3(C[NH+](C)C)CC3)C2)c(C#N)cn1	ZINC001091625678	952354859	/nfs/dbraw/zinc/35/48/59/952354859.db2.gz	FRBXTJDDTOWJMU-DOTOQJQBSA-N	1	0	355.486	1.722	20	30		FDEDRO
C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(N2CCOC2=O)cc1	ZINC000772981392	952422314	/nfs/dbraw/zinc/42/23/14/952422314.db2.gz	CXNLDNVXXYHKFE-XAGMJWQQSA-N	1	0	370.409	1.820	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCOCCOC)C2	ZINC001147582895	952443261	/nfs/dbraw/zinc/44/32/61/952443261.db2.gz	HZMOGUZQTKEEII-SJORKVTESA-N	1	0	352.475	1.165	20	30		FDEDRO
Cn1nncc1C(=O)N1C[C@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@@]2(C)C1	ZINC001091639805	952452081	/nfs/dbraw/zinc/45/20/81/952452081.db2.gz	LATYOFPWDOMLJR-BEFAXECRSA-N	1	0	368.416	1.420	20	30		FDEDRO
Cn1cnc(C(=O)N2C[C@H]3C[N@H+](CC#Cc4ccc(F)cc4)C[C@@]3(C)C2)n1	ZINC001091646391	952469369	/nfs/dbraw/zinc/46/93/69/952469369.db2.gz	PLHOOSOEQYYERO-UZLBHIALSA-N	1	0	367.428	1.400	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[C@@H](Nc2nccnc2C#N)C1	ZINC001091646116	952478583	/nfs/dbraw/zinc/47/85/83/952478583.db2.gz	BTQRJWDGSRFUBC-ARFHVFGLSA-N	1	0	356.474	1.919	20	30		FDEDRO
C[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1	ZINC001091660983	952522913	/nfs/dbraw/zinc/52/29/13/952522913.db2.gz	VBCMYBGMEMRHBR-BLIXFSHQSA-N	1	0	357.498	1.581	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C2)C1	ZINC001147911359	952575892	/nfs/dbraw/zinc/57/58/92/952575892.db2.gz	ULCQFSWRJYDHCX-BBWFWOEESA-N	1	0	363.502	1.689	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)C(C)(C)C)C[C@]2(C)C1	ZINC001091695279	952651243	/nfs/dbraw/zinc/65/12/43/952651243.db2.gz	GSWGWRWCULDSPL-WWMYMODYSA-N	1	0	359.514	1.827	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C2	ZINC001148310323	952679024	/nfs/dbraw/zinc/67/90/24/952679024.db2.gz	BNICXLFIWAFHAS-BBWFWOEESA-N	1	0	363.502	1.367	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3cccc4c3NC(=O)CO4)C[C@]2(C)C1	ZINC001091745375	952781149	/nfs/dbraw/zinc/78/11/49/952781149.db2.gz	IPLVGLOYGBVRHZ-VLIAUNLRSA-N	1	0	355.438	1.988	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCO[C@H]3c3nccn3C)C[C@]2(C)C1	ZINC001091751371	952800619	/nfs/dbraw/zinc/80/06/19/952800619.db2.gz	CNCAGOKFBXHONZ-IKVWTGGYSA-N	1	0	370.497	1.691	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(C(=O)N[C@@H](CC(C)C)C(=O)NO)cc2)CC1	ZINC001149010537	952836453	/nfs/dbraw/zinc/83/64/53/952836453.db2.gz	BOPXJXMNZANMHF-KRWDZBQOSA-N	1	0	362.474	1.478	20	30		FDEDRO
C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N)c1cccc(Cl)c1	ZINC001110122438	952851375	/nfs/dbraw/zinc/85/13/75/952851375.db2.gz	MJGVUKNJRWHLCG-VZEFYGNVSA-N	1	0	374.872	1.805	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)c(F)c1	ZINC000282773520	952859256	/nfs/dbraw/zinc/85/92/56/952859256.db2.gz	DJPLRMWHLFMJML-UHFFFAOYSA-N	1	0	365.380	1.113	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccn(C)n2)C1	ZINC001086856504	952902867	/nfs/dbraw/zinc/90/28/67/952902867.db2.gz	DKDUVEVASDOKAP-JKSUJKDBSA-N	1	0	367.453	1.515	20	30		FDEDRO
Cn1nc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)ccc1=O	ZINC001086870221	952918097	/nfs/dbraw/zinc/91/80/97/952918097.db2.gz	VDBBIPLCIDAHJX-DLBZAZTESA-N	1	0	365.437	1.340	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1	ZINC001086884425	952937005	/nfs/dbraw/zinc/93/70/05/952937005.db2.gz	BKLVSLFIKNTZBF-NWDGAFQWSA-N	1	0	371.279	1.121	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccc(C#N)s2)C1	ZINC001086970968	952972829	/nfs/dbraw/zinc/97/28/29/952972829.db2.gz	PYKGXVPMBRACCO-OAUYIBNBSA-N	1	0	368.466	1.597	20	30		FDEDRO
Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2c2cnn(C)c2)o1	ZINC001086971448	952974467	/nfs/dbraw/zinc/97/44/67/952974467.db2.gz	ODIZQDXOTWWYCR-XFBWCDHKSA-N	1	0	356.430	1.269	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3n[nH]cc32)C[C@H]1c1cnn(C)c1	ZINC001086979209	952992227	/nfs/dbraw/zinc/99/22/27/952992227.db2.gz	OTUVNJWJIFSITL-VDZJLULYSA-N	1	0	368.485	1.723	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCF)C1	ZINC001086979736	952993638	/nfs/dbraw/zinc/99/36/38/952993638.db2.gz	OWRDUQGGGNCNPO-TWMKSMIVSA-N	1	0	350.438	1.255	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC2CCC2)C1	ZINC001086983109	952996549	/nfs/dbraw/zinc/99/65/49/952996549.db2.gz	XLVBIYLBXNUYKY-ZCNNSNEGSA-N	1	0	369.513	1.202	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C(F)F)ncn2)C[C@H]1c1cnn(C)c1	ZINC001086983892	952998080	/nfs/dbraw/zinc/99/80/80/952998080.db2.gz	NIUBDSASWZVOSJ-SWLSCSKDSA-N	1	0	362.384	1.532	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)n([C@H](C)CC)n2)C[C@H]1c1cnn(C)c1	ZINC001086985660	953002916	/nfs/dbraw/zinc/00/29/16/953002916.db2.gz	XJRFOQXIHJWTTO-DKSSEZFCSA-N	1	0	368.485	1.727	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2CCC)C[C@H]1c1cnn(C)c1	ZINC001086985926	953004350	/nfs/dbraw/zinc/00/43/50/953004350.db2.gz	LRJNXYMBTJKYIY-DLBZAZTESA-N	1	0	356.474	1.490	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2coc(C(F)(F)F)n2)C[C@H]1c1cnn(C)c1	ZINC001086986106	953005316	/nfs/dbraw/zinc/00/53/16/953005316.db2.gz	WNGGDBFOMSELNI-NWDGAFQWSA-N	1	0	369.347	1.811	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)ccc2OC)C[C@H]1c1cnn(C)c1	ZINC001086986632	953006970	/nfs/dbraw/zinc/00/69/70/953006970.db2.gz	ZHLRFBFNOADDBU-ZWKOTPCHSA-N	1	0	352.438	1.568	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2c(C)cc(=O)oc2C)C[C@H]1c1cnn(C)c1	ZINC001086986890	953008069	/nfs/dbraw/zinc/00/80/69/953008069.db2.gz	OPQRRKALGMFIMK-DLBZAZTESA-N	1	0	370.453	1.764	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C[C@H]1c1cnn(C)c1	ZINC001086987131	953009015	/nfs/dbraw/zinc/00/90/15/953009015.db2.gz	BAROOBANOOZMFB-ZSYWTGECSA-N	1	0	358.486	1.553	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(F)c(F)c2F)C[C@H]1c1cnn(C)c1	ZINC001086994523	953027910	/nfs/dbraw/zinc/02/79/10/953027910.db2.gz	GXLBKHNYWJOSBT-DZGCQCFKSA-N	1	0	362.355	1.668	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2ccncn2)C[C@H]1c1cnn(C)c1	ZINC001086981687	953033403	/nfs/dbraw/zinc/03/34/03/953033403.db2.gz	YCYOAGOGTSNQMA-ZWKOTPCHSA-N	1	0	354.458	1.303	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC(F)(F)C2)C[C@H]1c1cnn(C)c1	ZINC001086981993	953034346	/nfs/dbraw/zinc/03/43/46/953034346.db2.gz	OKOZBUONGFXUFC-VNQPRFMTSA-N	1	0	350.413	1.763	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)n(CC)n2)C[C@H]1c1cnn(C)c1	ZINC001086982170	953034980	/nfs/dbraw/zinc/03/49/80/953034980.db2.gz	XAPNORJTSBZGOZ-FUHWJXTLSA-N	1	0	368.485	1.898	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(CC)nc2C(C)C)C[C@H]1c1cnn(C)c1	ZINC001086999422	953047033	/nfs/dbraw/zinc/04/70/33/953047033.db2.gz	FUSHXEDNIJENPQ-FUHWJXTLSA-N	1	0	368.485	1.591	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](NCC#N)C1	ZINC001087000827	953053322	/nfs/dbraw/zinc/05/33/22/953053322.db2.gz	PYLMHRXDKOJMSH-KSZLIROESA-N	1	0	358.490	1.091	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)COC3)C[C@H]1c1cnn(C)c1	ZINC001087001096	953054234	/nfs/dbraw/zinc/05/42/34/953054234.db2.gz	CRLPWFMVEDALKC-RBUKOAKNSA-N	1	0	352.438	1.834	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnn(CC(C)C)c2)C[C@H]1c1cnn(C)c1	ZINC001087003778	953060440	/nfs/dbraw/zinc/06/04/40/953060440.db2.gz	OWSNVWYDMQZMCF-ZWKOTPCHSA-N	1	0	356.474	1.656	20	30		FDEDRO
CCn1nccc1[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(OC)c(C#N)c1	ZINC000849366613	953060990	/nfs/dbraw/zinc/06/09/90/953060990.db2.gz	PSAXTBSCSRBQJO-KXBFYZLASA-N	1	0	353.426	1.893	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnn(C(C)C)c2C)C[C@H]1c1cnn(C)c1	ZINC001087005125	953063511	/nfs/dbraw/zinc/06/35/11/953063511.db2.gz	MTIHONIBYZDALL-ZWKOTPCHSA-N	1	0	356.474	1.890	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3ccccc3)C[C@H]2OCC)C1=O	ZINC001087020926	953084359	/nfs/dbraw/zinc/08/43/59/953084359.db2.gz	RPIOYGCKNRJAAU-CEXWTWQISA-N	1	0	371.481	1.540	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2ccc3c(c2)COC3)C[C@H]1c1cnn(C)c1	ZINC001087007137	953092249	/nfs/dbraw/zinc/09/22/49/953092249.db2.gz	OVXUKGHWFDQUIZ-VQTJNVASSA-N	1	0	366.465	1.763	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC2CC2)C1	ZINC001087007580	953093557	/nfs/dbraw/zinc/09/35/57/953093557.db2.gz	KXTVJNYLHMRLHC-LEWJYISDSA-N	1	0	362.477	1.938	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COc2ccc(F)cc2)C[C@H]1c1cnn(C)c1	ZINC001087009027	953096944	/nfs/dbraw/zinc/09/69/44/953096944.db2.gz	KWDUXAPPTUKPMI-ZWKOTPCHSA-N	1	0	356.401	1.155	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccc(C(=O)NC)c2)C[C@H]1c1cnn(C)c1	ZINC001087010469	953101365	/nfs/dbraw/zinc/10/13/65/953101365.db2.gz	BYFKHRBPUZIVEW-ZWKOTPCHSA-N	1	0	367.453	1.164	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1csnc1OC	ZINC001087035491	953144966	/nfs/dbraw/zinc/14/49/66/953144966.db2.gz	CACAKEDUPMYAQY-YRGRVCCFSA-N	1	0	352.460	1.264	20	30		FDEDRO
CCCn1c(C)nnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1OCC	ZINC001087035886	953146424	/nfs/dbraw/zinc/14/64/24/953146424.db2.gz	QCEZGMCFQQWNBK-NUEKZKHPSA-N	1	0	362.478	1.109	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1cncc(F)c1	ZINC001087045331	953170013	/nfs/dbraw/zinc/17/00/13/953170013.db2.gz	DJOQYCJWBDCDJZ-RDTXWAMCSA-N	1	0	371.416	1.687	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1cscn1	ZINC001087046019	953193418	/nfs/dbraw/zinc/19/34/18/953193418.db2.gz	FOGUPRYKFGSVEF-MLGOLLRUSA-N	1	0	359.455	1.610	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cncn2C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087065059	953214200	/nfs/dbraw/zinc/21/42/00/953214200.db2.gz	IJALMZRWBPTANP-IEBWSBKVSA-N	1	0	367.453	1.559	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2nonc2C)[C@H](OCC)C1	ZINC001087071292	953225200	/nfs/dbraw/zinc/22/52/00/953225200.db2.gz	HSYGMRRQOUDPMF-GDBMZVCRSA-N	1	0	350.463	1.933	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3ncnn3C)[C@H](OCC)C2)CC1	ZINC001087079518	953264029	/nfs/dbraw/zinc/26/40/29/953264029.db2.gz	SZXCREJLAQWPRJ-IAGOWNOFSA-N	1	0	361.490	1.515	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2[nH]cnc2C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087104581	953277860	/nfs/dbraw/zinc/27/78/60/953277860.db2.gz	OAORGEHPKWJTIT-QZTJIDSGSA-N	1	0	367.453	1.857	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cnn(C)c3)[C@H](OCC)C2)cn1	ZINC001087097198	953284051	/nfs/dbraw/zinc/28/40/51/953284051.db2.gz	AVPGAFAMBGARCY-IEBWSBKVSA-N	1	0	367.453	1.063	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ncc(C)o3)[C@H](OCC)C2)cn1	ZINC001087097290	953284580	/nfs/dbraw/zinc/28/45/80/953284580.db2.gz	HHBHHPBRHOVUAU-SJLPKXTDSA-N	1	0	368.437	1.626	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CCN1c1ncccc1C#N	ZINC001091798602	953326671	/nfs/dbraw/zinc/32/66/71/953326671.db2.gz	CXKUHQRZYKJAAC-ZWKOTPCHSA-N	1	0	371.485	1.538	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3cnc4sccn4c3=O)C[C@]2(C)C1	ZINC001091833222	953381708	/nfs/dbraw/zinc/38/17/08/953381708.db2.gz	PQWVWJLGFBCIHU-ACJLOTCBSA-N	1	0	358.467	1.726	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN3c3nccs3)C[C@]2(C)C1	ZINC001091882558	953512281	/nfs/dbraw/zinc/51/22/81/953512281.db2.gz	AAJJJWNVDKNTNO-MDZRGWNJSA-N	1	0	358.511	1.916	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1C[C@H]2CCN(c3ccncc3C#N)C[C@H]2C1	ZINC001091859862	953583037	/nfs/dbraw/zinc/58/30/37/953583037.db2.gz	VKHRWTMUZVOVBQ-AEFFLSMTSA-N	1	0	355.486	1.970	20	30		FDEDRO
Cn1c(C(=O)N2C[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@@]3(C)C2)c[nH]c1=O	ZINC001091915065	953705470	/nfs/dbraw/zinc/70/54/70/953705470.db2.gz	RBEHGZQXDXUQJR-UZLBHIALSA-N	1	0	365.437	1.591	20	30		FDEDRO
C[C@]12CN(C(=O)c3c[nH]c(=O)cn3)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001091960963	953744216	/nfs/dbraw/zinc/74/42/16/953744216.db2.gz	YRLRPPZHLFPHLF-UZLBHIALSA-N	1	0	363.421	1.236	20	30		FDEDRO
C[C@]12CN(C(=O)c3n[nH]cc3F)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001091988574	953889373	/nfs/dbraw/zinc/88/93/73/953889373.db2.gz	MRDKQIZHOWIITF-UZLBHIALSA-N	1	0	352.413	1.994	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)C[C@]2(C)C1	ZINC001092090514	954250819	/nfs/dbraw/zinc/25/08/19/954250819.db2.gz	URZLJHOZZLORQK-MLYOOKFZSA-N	1	0	358.486	1.645	20	30		FDEDRO
C[C@]12CN(C(=O)C[C@H]3CCC(=O)N3)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001092092911	954260603	/nfs/dbraw/zinc/26/06/03/954260603.db2.gz	JGDQSYLFOSYAKO-OPYAIIAOSA-N	1	0	366.465	1.507	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cnn4cc(OC)ccc34)C[C@]2(C)C1	ZINC001092099608	954296036	/nfs/dbraw/zinc/29/60/36/954296036.db2.gz	ZPQTULNXPNROAC-QRWLVFNGSA-N	1	0	352.438	1.760	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)c2ccccc2F)C1	ZINC001196945799	972002492	/nfs/dbraw/zinc/00/24/92/972002492.db2.gz	FTNWUQIHRLQVOJ-BMGDILEWSA-N	1	0	350.434	1.683	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cnc(OCC4CC4)cn3)C[C@]2(C)C1	ZINC001092195461	954507500	/nfs/dbraw/zinc/50/75/00/954507500.db2.gz	PIJWXXBDXVBLIF-UZLBHIALSA-N	1	0	354.454	1.683	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+]([C@@H]4CCN(CC)C4=O)C[C@@]3(C)C2)cn1	ZINC001092211904	954620582	/nfs/dbraw/zinc/62/05/82/954620582.db2.gz	SZYDOIAKNCIVMQ-BLIXFSHQSA-N	1	0	366.465	1.078	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H]2CN(C(=O)c3ccc4c(c3)nnn4CC)C[C@]2(C)C1	ZINC001092266098	954630603	/nfs/dbraw/zinc/63/06/03/954630603.db2.gz	KZJQTRQXZKUNPY-UZLBHIALSA-N	1	0	351.454	1.868	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4c[nH]cc4C)C[C@]3(C)C2)C1=O	ZINC001092271779	954649422	/nfs/dbraw/zinc/64/94/22/954649422.db2.gz	DAZVADGEIHQTNR-MDYRTPRTSA-N	1	0	356.470	1.504	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(-n4cnnn4)cc3)C[C@]2(C)C1	ZINC001092257174	954721526	/nfs/dbraw/zinc/72/15/26/954721526.db2.gz	LXTAAUHWPQOUIB-APWZRJJASA-N	1	0	352.442	1.632	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@]3(C)C2)n1	ZINC001092305209	954769186	/nfs/dbraw/zinc/76/91/86/954769186.db2.gz	GOYXCVQGXIOKFN-KUHUBIRLSA-N	1	0	356.474	1.147	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]ncc2Br)C1	ZINC001197010463	972042242	/nfs/dbraw/zinc/04/22/42/972042242.db2.gz	SNLLGCXHHNFEML-YUSALJHKSA-N	1	0	357.252	1.302	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CNC(=O)CCC[NH+]1CCCC1	ZINC001092375249	955050678	/nfs/dbraw/zinc/05/06/78/955050678.db2.gz	QRGLJFMMBVOSKB-HZPDHXFCSA-N	1	0	356.474	1.413	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3ccccc3F)[C@H](C)C2)C1=O	ZINC001092435081	955090114	/nfs/dbraw/zinc/09/01/14/955090114.db2.gz	BASFWJALMDBQDU-IIDMSEBBSA-N	1	0	359.445	1.910	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C	ZINC001092415994	955148579	/nfs/dbraw/zinc/14/85/79/955148579.db2.gz	MPDCNMQXYCJIHO-NUJGCVRESA-N	1	0	370.501	1.800	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)c1cnn(C)c1	ZINC001092454831	955162992	/nfs/dbraw/zinc/16/29/92/955162992.db2.gz	PQBNMVNIPJMATR-NVXWUHKLSA-N	1	0	354.429	1.909	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CNC(=O)c2ccn[nH]2)[C@H](C)C1	ZINC001092476123	955221586	/nfs/dbraw/zinc/22/15/86/955221586.db2.gz	KWVMMKUQAMDLBC-CZUORRHYSA-N	1	0	353.426	1.788	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](CNC(=O)[C@H]3CCCO3)[C@H](C)C2)c1	ZINC001092449488	955254238	/nfs/dbraw/zinc/25/42/38/955254238.db2.gz	QTRCUZFFVWHPCS-SZVBFZGTSA-N	1	0	369.465	1.470	20	30		FDEDRO
C[C@@H]1CN(Cc2cc(F)ccc2C#N)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C	ZINC001092504287	955277098	/nfs/dbraw/zinc/27/70/98/955277098.db2.gz	KILJHMAXZIWSOP-LSBZLQRGSA-N	1	0	358.461	1.976	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1CN(C)CCO1	ZINC001092522873	955317637	/nfs/dbraw/zinc/31/76/37/955317637.db2.gz	WPYIRXJEPISDNH-RLLQIKCJSA-N	1	0	355.482	1.053	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)C(C)C)C2)n1	ZINC001092523267	955320648	/nfs/dbraw/zinc/32/06/48/955320648.db2.gz	FMSYMVSNOQNRBV-GDBMZVCRSA-N	1	0	358.490	1.576	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CCNC(=O)C1([NH+](C)C)CCC1	ZINC001092552359	955410117	/nfs/dbraw/zinc/41/01/17/955410117.db2.gz	RDFDTILECIMEFE-HUUCEWRRSA-N	1	0	356.474	1.411	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)[C@@H]1COCCN1C	ZINC001092555354	955428349	/nfs/dbraw/zinc/42/83/49/955428349.db2.gz	PXPVQHUJGZEHFH-CPUCHLNUSA-N	1	0	362.499	1.134	20	30		FDEDRO
C[C@@H]1CN(c2ncccc2C#N)C[C@H]1CCNC(=O)C12CC[NH+](CC1)C2	ZINC001092531716	955492350	/nfs/dbraw/zinc/49/23/50/955492350.db2.gz	PUAXPPZKLLXQDP-NVXWUHKLSA-N	1	0	353.470	1.628	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1CCNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001092531930	955496048	/nfs/dbraw/zinc/49/60/48/955496048.db2.gz	WIFHAZIEXKKTGU-SOLBZPMBSA-N	1	0	355.486	1.874	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CCNC(=O)C[N@@H+]1CCC[C@@H]1C	ZINC001092588575	955561075	/nfs/dbraw/zinc/56/10/75/955561075.db2.gz	XIVFITOMRDMJQV-OWCLPIDISA-N	1	0	356.474	1.411	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](CNC(=O)c3ncc[nH]3)[C@H](C)C2)c1	ZINC001092597327	955600904	/nfs/dbraw/zinc/60/09/04/955600904.db2.gz	DDWLLAVKBZMQRO-GDBMZVCRSA-N	1	0	365.437	1.327	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CCNC(=O)CC[C@H]1CCC[N@@H+]1C	ZINC001092598692	955607197	/nfs/dbraw/zinc/60/71/97/955607197.db2.gz	RCUZIPXNSSUURJ-BRWVUGGUSA-N	1	0	370.501	1.801	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)c3cc(CC)ccn3)[C@H](C)C2)C1=O	ZINC001092632003	955900219	/nfs/dbraw/zinc/90/02/19/955900219.db2.gz	XIDCSGXBHHRYJA-SUMDDJOVSA-N	1	0	370.497	1.729	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@H]1CC(=O)N(C)C1	ZINC001092654509	955905791	/nfs/dbraw/zinc/90/57/91/955905791.db2.gz	WVZHPLSPVWLZGU-FHLIZLRMSA-N	1	0	354.454	1.221	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C	ZINC001092676904	955990468	/nfs/dbraw/zinc/99/04/68/955990468.db2.gz	PAZNMQRWGNBCEF-KZNAEPCWSA-N	1	0	371.485	1.229	20	30		FDEDRO
CC(C)[C@H](C(=O)NC[C@]12CCC[C@H]1N(c1ccc(C#N)nn1)CC2)[NH+](C)C	ZINC001092701288	956094386	/nfs/dbraw/zinc/09/43/86/956094386.db2.gz	XYJIHFOQDPNIJH-YVWKXTFCSA-N	1	0	370.501	1.800	20	30		FDEDRO
CC[C@@H](C(=O)NC[C@]12CCC[C@H]1N(c1cncc(C#N)n1)CC2)[NH+](C)C	ZINC001092702021	956096180	/nfs/dbraw/zinc/09/61/80/956096180.db2.gz	OOAZTJVZOHOSMK-FRQCXROJSA-N	1	0	356.474	1.554	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)c1cn[nH]c(=O)c1	ZINC001092702532	956099799	/nfs/dbraw/zinc/09/97/99/956099799.db2.gz	DQELOONHXDZQAE-CXAGYDPISA-N	1	0	351.410	1.552	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)c1cn[nH]c(=O)c1	ZINC001092702677	956102352	/nfs/dbraw/zinc/10/23/52/956102352.db2.gz	LUVXKXCSPBWJAQ-MLGOLLRUSA-N	1	0	369.400	1.691	20	30		FDEDRO
C[NH+](C)[C@@H](C(=O)NC[C@]12CCC[C@H]1N(c1ccc(C#N)nn1)CC2)C1CC1	ZINC001092704886	956115948	/nfs/dbraw/zinc/11/59/48/956115948.db2.gz	QUKOBLQRAHWWOL-YVWKXTFCSA-N	1	0	368.485	1.554	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@@]3(CNC(=O)CC[NH+](C)C)CCC[C@@H]23)n1	ZINC001092711702	956146016	/nfs/dbraw/zinc/14/60/16/956146016.db2.gz	CLKPWGIBTREEJN-OXQOHEQNSA-N	1	0	370.501	1.728	20	30		FDEDRO
C[NH+](C)CCCC(=O)NC[C@]12CCC[C@H]1N(c1ccnc(C#N)n1)CC2	ZINC001092713875	956157482	/nfs/dbraw/zinc/15/74/82/956157482.db2.gz	RPGQHFRJLQHKKJ-DNVCBOLYSA-N	1	0	356.474	1.555	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)c2coc(S(N)(=O)=O)c2)[C@H](C)C1	ZINC001092742748	956247893	/nfs/dbraw/zinc/24/78/93/956247893.db2.gz	CEWACFRAQCFHOJ-TZMCWYRMSA-N	1	0	355.460	1.191	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]2C)cc1	ZINC001092874761	956614395	/nfs/dbraw/zinc/61/43/95/956614395.db2.gz	YFWUTPQHFXQZRV-VQIMIIECSA-N	1	0	353.466	1.588	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3cc[nH]c3C3CC3)[C@H](C)C2)C1=O	ZINC001092918109	956778450	/nfs/dbraw/zinc/77/84/50/956778450.db2.gz	YKTWADPIIWXETF-QGPMSJSTSA-N	1	0	370.497	1.977	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N	ZINC001092888403	956798197	/nfs/dbraw/zinc/79/81/97/956798197.db2.gz	ZXOUQBFDYQPGIA-NYTXWWLZSA-N	1	0	360.437	1.254	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)cc(C#N)n1	ZINC001092889602	956800458	/nfs/dbraw/zinc/80/04/58/956800458.db2.gz	MFGKOLLFGOCISD-PMPSAXMXSA-N	1	0	356.474	1.613	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1CCCCC(=O)N1	ZINC001092960019	956911735	/nfs/dbraw/zinc/91/17/35/956911735.db2.gz	PYZWZQASBMEORP-RLLQIKCJSA-N	1	0	367.493	1.781	20	30		FDEDRO
Cc1cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C3)c(C#N)cn1	ZINC001092924862	956925708	/nfs/dbraw/zinc/92/57/08/956925708.db2.gz	IUHYTRHZCLHCFC-SQNIBIBYSA-N	1	0	353.470	1.972	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(OC)nc2)C[C@H]1C	ZINC001092977643	956974793	/nfs/dbraw/zinc/97/47/93/956974793.db2.gz	ALGHYKBRMBWHSU-DDBAPUKQSA-N	1	0	359.470	1.865	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1C	ZINC001092977959	956976433	/nfs/dbraw/zinc/97/64/33/956976433.db2.gz	RNSFUMBNSNFYTH-AXUOBQJMSA-N	1	0	371.481	1.561	20	30		FDEDRO
C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1)CC(C)(C)C	ZINC001093046843	957211415	/nfs/dbraw/zinc/21/14/15/957211415.db2.gz	CKVPXFZEQVSLIL-OAGGEKHMSA-N	1	0	356.474	1.552	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)c1cnn(C)n1	ZINC001093052223	957227818	/nfs/dbraw/zinc/22/78/18/957227818.db2.gz	XAQOZJLWQUHXKL-IUODEOHRSA-N	1	0	356.405	1.324	20	30		FDEDRO
N#Cc1nccnc1N1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1	ZINC001093087725	957271130	/nfs/dbraw/zinc/27/11/30/957271130.db2.gz	PXWNUZQJXKMUBZ-JXFKEZNVSA-N	1	0	368.485	1.699	20	30		FDEDRO
N#Cc1cnc(N2C[C@@H]3CCC[C@]3(NC(=O)CCC[NH+]3CCCC3)C2)cn1	ZINC001093087823	957496685	/nfs/dbraw/zinc/49/66/85/957496685.db2.gz	UROHUEFXNPHFKN-JXFKEZNVSA-N	1	0	368.485	1.699	20	30		FDEDRO
C[NH+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2cnc(C#N)cn2)C1	ZINC001093115913	957558946	/nfs/dbraw/zinc/55/89/46/957558946.db2.gz	ZSBQQZHPVHWQND-VXGBXAGGSA-N	1	0	356.352	1.101	20	30		FDEDRO
C[NH+](C)CCOCC(=O)N1C[C@@H]2CCC[C@]2(CNc2ccc(C#N)cn2)C1	ZINC001093124545	957589251	/nfs/dbraw/zinc/58/92/51/957589251.db2.gz	FQMUQYGPRIYHCI-PXNSSMCTSA-N	1	0	371.485	1.572	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(CNc2cncc(C#N)n2)C1	ZINC001093124925	957590638	/nfs/dbraw/zinc/59/06/38/957590638.db2.gz	SSQDAMYNBJIDBG-KXBFYZLASA-N	1	0	356.474	1.731	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N2C[C@@H]3CCC[C@]3(CNc3nccnc3C#N)C2)CC1	ZINC001093128552	957603517	/nfs/dbraw/zinc/60/35/17/957603517.db2.gz	LWJCMUXPEQHDRG-YWZLYKJASA-N	1	0	368.485	1.731	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccn(CC)n3)C[C@H]2C)nc1	ZINC001093142974	957640821	/nfs/dbraw/zinc/64/08/21/957640821.db2.gz	LYBFVOHJUOQJPY-NVXWUHKLSA-N	1	0	351.454	1.777	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3cc(Cl)no3)[C@H](C)C2)C1=O	ZINC001093149365	957650997	/nfs/dbraw/zinc/65/09/97/957650997.db2.gz	YUFVPKLDDDZBHW-JHJVBQTASA-N	1	0	366.849	1.413	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2cc3c(cn2)nc[nH]c3=O)[C@H](C)C1	ZINC001093165110	957718570	/nfs/dbraw/zinc/71/85/70/957718570.db2.gz	VFIICIASXKWPRM-ZYHUDNBSSA-N	1	0	361.833	1.781	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCN(C)C2=O)C1	ZINC001093279558	957953093	/nfs/dbraw/zinc/95/30/93/957953093.db2.gz	HLBIGCPMLJDTDU-ZACQAIPSSA-N	1	0	358.486	1.593	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3nc(C)c[nH]3)C[C@H]2C)C1=O	ZINC001093286448	957971563	/nfs/dbraw/zinc/97/15/63/957971563.db2.gz	BTFOIENHVNCMSO-FVQBIDKESA-N	1	0	359.474	1.193	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H]3CCCN(C)C3=O)C2)nc1	ZINC001093289348	957981432	/nfs/dbraw/zinc/98/14/32/957981432.db2.gz	QHQYPKLTOLJRNX-KBAYOESNSA-N	1	0	368.481	1.372	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093432132	958056993	/nfs/dbraw/zinc/05/69/93/958056993.db2.gz	BCBPGWKAADXSRI-XSYGEPLQSA-N	1	0	358.486	1.941	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093432094	958057038	/nfs/dbraw/zinc/05/70/38/958057038.db2.gz	AFHTXQAPPZMBLN-KONPQCLYSA-N	1	0	366.893	1.752	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn[nH]c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093432341	958058504	/nfs/dbraw/zinc/05/85/04/958058504.db2.gz	CVACLASCLUXWGX-PNBKFKSVSA-N	1	0	352.866	1.742	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc(=O)[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093438951	958072305	/nfs/dbraw/zinc/07/23/05/958072305.db2.gz	HXFRICWSTLLVMK-ZTRFORPCSA-N	1	0	359.470	1.943	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)C#CC2CC2)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cccnc1)C2	ZINC001093442959	958082350	/nfs/dbraw/zinc/08/23/50/958082350.db2.gz	MNXCZRLNNKQSFF-WKDRNLAYSA-N	1	0	367.493	1.961	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3OCCCO3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093444122	958087581	/nfs/dbraw/zinc/08/75/81/958087581.db2.gz	ZSCFYYXDKZSWMT-XNFNUYLZSA-N	1	0	366.502	1.682	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nn(C)cc3Cl)[C@@H]2C(C)C)C[C@H]1O	ZINC001093446496	958095544	/nfs/dbraw/zinc/09/55/44/958095544.db2.gz	IIQBIGWEORFOGY-SZXPJGKVSA-N	1	0	366.893	1.839	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncc4nc[nH]c43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093446881	958097530	/nfs/dbraw/zinc/09/75/30/958097530.db2.gz	NPFMCSTVOBMEKF-QSFMABPGSA-N	1	0	367.453	1.171	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cc(C4CC4)no3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093447860	958103087	/nfs/dbraw/zinc/10/30/87/958103087.db2.gz	AQEMOWZDCKMASM-VURPSTOHSA-N	1	0	371.481	1.694	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc4cc[nH]c4c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093448513	958109156	/nfs/dbraw/zinc/10/91/56/958109156.db2.gz	AAWRYKXNGVQBQA-ANTGDGSKSA-N	1	0	366.465	1.776	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc(C4CC4)o3)[C@H]2C(C)C)C[C@H]1O	ZINC001093448735	958110461	/nfs/dbraw/zinc/11/04/61/958110461.db2.gz	BVTSEGXFTXAUPT-UOSKARGWSA-N	1	0	357.454	1.765	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)nnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093449506	958115999	/nfs/dbraw/zinc/11/59/99/958115999.db2.gz	PBTLHOVFUDCMEB-SOAMZJECSA-N	1	0	358.486	1.859	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C4CC4)nn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093449835	958119020	/nfs/dbraw/zinc/11/90/20/958119020.db2.gz	QQJMPBKNSNBRAZ-XLBJILASSA-N	1	0	370.497	1.510	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncc(OC)c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093449875	958119718	/nfs/dbraw/zinc/11/97/18/958119718.db2.gz	JMFXMVNOGATGQC-VGUOSERISA-N	1	0	371.481	1.612	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncc(C)cc3OC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093451625	958133882	/nfs/dbraw/zinc/13/38/82/958133882.db2.gz	WESXNLJZRLYFCW-HQEOYTPBSA-N	1	0	371.481	1.612	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3[nH]c(=O)[nH]c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093451846	958135768	/nfs/dbraw/zinc/13/57/68/958135768.db2.gz	ZGEHENQPGUTBTD-GTACMHHNSA-N	1	0	362.474	1.580	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(=O)Nc3ccccc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093451903	958136878	/nfs/dbraw/zinc/13/68/78/958136878.db2.gz	AFRNPDWILYOTQR-IKVWTGGYSA-N	1	0	371.481	1.777	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(c4cccnc4)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093459968	958185929	/nfs/dbraw/zinc/18/59/29/958185929.db2.gz	OGAINVMVELMQRW-ANTGDGSKSA-N	1	0	367.493	1.713	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3cncnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093460045	958186201	/nfs/dbraw/zinc/18/62/01/958186201.db2.gz	XSFRLHNTKVMAQN-HNBVOPMISA-N	1	0	358.486	1.561	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C)c(=O)[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093461388	958193810	/nfs/dbraw/zinc/19/38/10/958193810.db2.gz	IMVXOAQERBADEP-JNNRSPCRSA-N	1	0	362.474	1.282	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C(C)C)n[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093465347	958202952	/nfs/dbraw/zinc/20/29/52/958202952.db2.gz	JCUVLOJRKRSASM-FTEYMNFISA-N	1	0	358.486	1.746	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnc(C4CC4)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093465565	958203717	/nfs/dbraw/zinc/20/37/17/958203717.db2.gz	IHCIVIUQMOEUHM-DCXXXQMHSA-N	1	0	368.481	1.567	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)nn3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001093466093	958206840	/nfs/dbraw/zinc/20/68/40/958206840.db2.gz	LDTYSAHNNHIWFJ-PHXBYCTMSA-N	1	0	358.486	1.424	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC000962018191	1013168682	/nfs/dbraw/zinc/16/86/82/1013168682.db2.gz	PYAJLPKFYVGOIB-AEXBHSQCSA-N	1	0	354.454	1.224	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnc(OCC)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093467090	958211957	/nfs/dbraw/zinc/21/19/57/958211957.db2.gz	SFQRWMMUAWWXMM-REHHDOPLSA-N	1	0	371.481	1.693	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093469318	958221062	/nfs/dbraw/zinc/22/10/62/958221062.db2.gz	FPZVJSZPHATSKB-ATNYBXOESA-N	1	0	364.877	1.809	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3coc(COC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093469876	958225059	/nfs/dbraw/zinc/22/50/59/958225059.db2.gz	MMHOEYWHZAUSDI-VWMOJTHMSA-N	1	0	363.458	1.587	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nc[nH]n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093469844	958225074	/nfs/dbraw/zinc/22/50/74/958225074.db2.gz	LXDCXNFIQWNMJT-NFFDBFGFSA-N	1	0	353.854	1.137	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COc3cccnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093470392	958228236	/nfs/dbraw/zinc/22/82/36/958228236.db2.gz	UGTFGMAWXQYJRJ-JYBIWHBTSA-N	1	0	359.470	1.613	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH]c(C)cc3=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001093470839	958230346	/nfs/dbraw/zinc/23/03/46/958230346.db2.gz	AEBVEXKTWRFXER-DLVXIWMQSA-N	1	0	359.470	1.449	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH]c(C)cc3=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001093470842	958230819	/nfs/dbraw/zinc/23/08/19/958230819.db2.gz	AEBVEXKTWRFXER-UIXUWTQFSA-N	1	0	359.470	1.449	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnoc3C3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093470880	958231493	/nfs/dbraw/zinc/23/14/93/958231493.db2.gz	ATRGNAAOIGJUIN-HBXLWWENSA-N	1	0	357.454	1.765	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3cnccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093472400	958238996	/nfs/dbraw/zinc/23/89/96/958238996.db2.gz	LDDFQQKEBYZCES-JYBIWHBTSA-N	1	0	358.486	1.561	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccccc3OC)[C@H]2C(C)C)C[C@H]1O	ZINC001093473460	958243857	/nfs/dbraw/zinc/24/38/57/958243857.db2.gz	ODLKBKUMDBWLPH-PLOVASNDSA-N	1	0	356.466	1.908	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(CC)c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093473736	958245297	/nfs/dbraw/zinc/24/52/97/958245297.db2.gz	RXVDTFMJJJYDEO-XSYGEPLQSA-N	1	0	360.502	1.977	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(CC)c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093473735	958245444	/nfs/dbraw/zinc/24/54/44/958245444.db2.gz	RXVDTFMJJJYDEO-SOAMZJECSA-N	1	0	360.502	1.977	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc(OC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093474262	958247607	/nfs/dbraw/zinc/24/76/07/958247607.db2.gz	UHBLCOCBILPZKP-ZTRFORPCSA-N	1	0	359.470	1.856	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3nonc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093474785	958249876	/nfs/dbraw/zinc/24/98/76/958249876.db2.gz	WSIUOVILESWMMI-ZAWLATJESA-N	1	0	362.474	1.463	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(OC)cs3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093455597	958274235	/nfs/dbraw/zinc/27/42/35/958274235.db2.gz	OUXOFIGHAMDUQC-LFEHRJTNSA-N	1	0	362.495	1.970	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccc(OC)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093458267	958283623	/nfs/dbraw/zinc/28/36/23/958283623.db2.gz	BRPGCUUPGNXYKH-RMVXJAJNSA-N	1	0	371.481	1.232	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(C)c3C3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093478821	958296244	/nfs/dbraw/zinc/29/62/44/958296244.db2.gz	FPKRWOUGSIOOGE-VGUOSERISA-N	1	0	370.497	1.510	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc4n[nH]nc4c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093479686	958300188	/nfs/dbraw/zinc/30/01/88/958300188.db2.gz	VBUBYJCLNSLBIG-MLYOOKFZSA-N	1	0	369.469	1.724	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cccc(F)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093479949	958301485	/nfs/dbraw/zinc/30/14/85/958301485.db2.gz	WEXKVWHNJHFCNQ-VURPSTOHSA-N	1	0	358.457	1.968	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCO2)C[C@H]1C	ZINC001093625884	958380974	/nfs/dbraw/zinc/38/09/74/958380974.db2.gz	BFLMNYQYSIQKBJ-BJZITVGISA-N	1	0	357.454	1.930	20	30		FDEDRO
C[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093629029	958387829	/nfs/dbraw/zinc/38/78/29/958387829.db2.gz	TWGDWWBNNZASJN-ZIAGYGMSSA-N	1	0	360.483	1.426	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001093647861	958426332	/nfs/dbraw/zinc/42/63/32/958426332.db2.gz	JIILAYRMDPADGO-MZMPZRCHSA-N	1	0	361.417	1.297	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3cnns3)C[C@H]2C)cc1C#N	ZINC001093655361	958445611	/nfs/dbraw/zinc/44/56/11/958445611.db2.gz	ZVRKCHPESOKVPR-IUODEOHRSA-N	1	0	371.466	1.916	20	30		FDEDRO
C#C[C@@H]([NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1)[C@H]1CCCO1	ZINC000775784305	972352637	/nfs/dbraw/zinc/35/26/37/972352637.db2.gz	HSBMPTCQVQDOPG-QZTJIDSGSA-N	1	0	355.438	1.912	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001093687241	958503329	/nfs/dbraw/zinc/50/33/29/958503329.db2.gz	UXTAZUKGFBHTEJ-CZUORRHYSA-N	1	0	355.417	1.847	20	30		FDEDRO
CCc1nnc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)[nH]1	ZINC001093722659	958599342	/nfs/dbraw/zinc/59/93/42/958599342.db2.gz	ZAZTWLSYVNZXDT-JHJVBQTASA-N	1	0	355.446	1.626	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1)n1cncn1	ZINC001093725483	958607500	/nfs/dbraw/zinc/60/75/00/958607500.db2.gz	LUMZRDQJJOAICN-MGPQQGTHSA-N	1	0	358.471	1.657	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093728945	958622787	/nfs/dbraw/zinc/62/27/87/958622787.db2.gz	UMXSNXPENAOIFU-CZUORRHYSA-N	1	0	352.442	1.372	20	30		FDEDRO
CC(=O)N1CC(C(=O)N2C[C@@H](C[NH2+]Cc3cccc(C#N)c3)[C@H](C)C2)C1	ZINC001093736933	958645296	/nfs/dbraw/zinc/64/52/96/958645296.db2.gz	KEXOZYIOTWFHEE-RDTXWAMCSA-N	1	0	354.454	1.221	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001093752292	958676514	/nfs/dbraw/zinc/67/65/14/958676514.db2.gz	BLJKSYJZLPVMME-IUODEOHRSA-N	1	0	356.405	1.324	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1nc(-c2ccoc2)no1	ZINC001093762746	958703086	/nfs/dbraw/zinc/70/30/86/958703086.db2.gz	DBRDBIOUCZUFMF-CZUORRHYSA-N	1	0	354.410	1.927	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093804645	958840605	/nfs/dbraw/zinc/84/06/05/958840605.db2.gz	OKYVEULRHHWOQC-HZSPNIEDSA-N	1	0	360.483	1.282	20	30		FDEDRO
C#C[C@H](NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCCO1	ZINC000773219055	958846000	/nfs/dbraw/zinc/84/60/00/958846000.db2.gz	RJNUFLLNZHKYTO-VQTJNVASSA-N	1	0	370.497	1.679	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CC)[C@H](C)C1	ZINC001093824775	958903159	/nfs/dbraw/zinc/90/31/59/958903159.db2.gz	KZCJMOSQHNADNE-HZPDHXFCSA-N	1	0	356.474	1.783	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093833773	958932272	/nfs/dbraw/zinc/93/22/72/958932272.db2.gz	YITLUYOFXJNMHE-CHWSQXEVSA-N	1	0	371.466	1.211	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093857393	959016520	/nfs/dbraw/zinc/01/65/20/959016520.db2.gz	CBEXURIMQXWZBX-XNFNUYLZSA-N	1	0	370.497	1.461	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3[nH]c(C)cc3C)C[C@H]2C)C1=O	ZINC001093866059	959044334	/nfs/dbraw/zinc/04/43/34/959044334.db2.gz	XVTRPZGWDBZBGY-OIISXLGYSA-N	1	0	358.486	1.716	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093869394	959051735	/nfs/dbraw/zinc/05/17/35/959051735.db2.gz	XBQNJCGIOWCQCH-ATZDWAIDSA-N	1	0	368.481	1.611	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H]3CCNC3=O)[C@H](C)C2)cc1	ZINC001093869801	959052719	/nfs/dbraw/zinc/05/27/19/959052719.db2.gz	BKVHFDMKAVFIAI-QGPMSJSTSA-N	1	0	357.454	1.438	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(OCC3CC3)cn2)C1	ZINC001197752660	972415578	/nfs/dbraw/zinc/41/55/78/972415578.db2.gz	RVZYWTSSOVOQFK-KBRIMQKVSA-N	1	0	360.458	1.395	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H]3CCN(C(C)C)C3=O)[C@H](C)C2)cc1	ZINC001093957184	959349191	/nfs/dbraw/zinc/34/91/91/959349191.db2.gz	LMIBKSRNMYDYGP-NSISKUIASA-N	1	0	367.493	1.975	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093963132	959370380	/nfs/dbraw/zinc/37/03/80/959370380.db2.gz	XBBJOLOZLDNLKC-ATZDWAIDSA-N	1	0	368.481	1.753	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093936118	959394851	/nfs/dbraw/zinc/39/48/51/959394851.db2.gz	BTSMRACBYYTFEU-SNUQEOBHSA-N	1	0	360.483	1.330	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3cc(C)n(C)n3)[C@H](C)C2)c1	ZINC001094028031	959550480	/nfs/dbraw/zinc/55/04/80/959550480.db2.gz	NXELALLEYLNDKX-RDTXWAMCSA-N	1	0	351.454	1.603	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccnc(OC)n2)[C@H](C)C1	ZINC001094055437	959646702	/nfs/dbraw/zinc/64/67/02/959646702.db2.gz	TVCCBOMSXZPXAT-SRABZTEZSA-N	1	0	360.458	1.260	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001094016834	959661109	/nfs/dbraw/zinc/66/11/09/959661109.db2.gz	XGQDDRMUKFOCQD-IUODEOHRSA-N	1	0	371.416	1.634	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ncnn3C)[C@H](C)C2)cc1	ZINC001094094071	959765319	/nfs/dbraw/zinc/76/53/19/959765319.db2.gz	HIGXIKMWVBTLDF-NVXWUHKLSA-N	1	0	367.453	1.325	20	30		FDEDRO
CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)cc3)[C@H](C)C2)nn1	ZINC001094138472	959875607	/nfs/dbraw/zinc/87/56/07/959875607.db2.gz	KQRWHEFUMAJUMT-RHSMWYFYSA-N	1	0	352.442	1.668	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cn(CC)nn2)[C@H](C)C1	ZINC001094103226	959884949	/nfs/dbraw/zinc/88/49/49/959884949.db2.gz	HFDJYQNLRTXJFG-LMSBXDPUSA-N	1	0	361.490	1.463	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ncnn3CC)[C@H](C)C2)nc1	ZINC001094171861	959969239	/nfs/dbraw/zinc/96/92/39/959969239.db2.gz	DXJOTHIPQQCMEI-GDBMZVCRSA-N	1	0	352.442	1.172	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3cc(Cl)no3)C[C@H]2C)C1=O	ZINC001094181577	959992795	/nfs/dbraw/zinc/99/27/95/959992795.db2.gz	VVHRUXBDFMKVPD-UPJWGTAASA-N	1	0	366.849	1.413	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001094206686	960002938	/nfs/dbraw/zinc/00/29/38/960002938.db2.gz	RXAVXOLWWYREPQ-RHSMWYFYSA-N	1	0	365.437	1.150	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C(=O)N(C)C)c2)C1	ZINC001197849855	972473416	/nfs/dbraw/zinc/47/34/16/972473416.db2.gz	DGMWYTYTHWBSDO-BMGDILEWSA-N	1	0	359.470	1.518	20	30		FDEDRO
CC(=O)N1CC[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cccc(C#N)c3)[C@H](C)C2)C1	ZINC001094192721	960082742	/nfs/dbraw/zinc/08/27/42/960082742.db2.gz	JEELDHLXJIJJLJ-CDHQVMDDSA-N	1	0	368.481	1.611	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001094205528	960115363	/nfs/dbraw/zinc/11/53/63/960115363.db2.gz	HAENGVIJXBWEHH-RHSMWYFYSA-N	1	0	365.437	1.150	20	30		FDEDRO
C#C[C@H](NCC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)[C@H]1CCCO1	ZINC000775791348	972483739	/nfs/dbraw/zinc/48/37/39/972483739.db2.gz	LUZHOFUODQFYSP-VQTJNVASSA-N	1	0	370.497	1.537	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1cn(C2C[NH+](CCC3CC3)C2)nn1	ZINC001094327801	960263527	/nfs/dbraw/zinc/26/35/27/960263527.db2.gz	PYZBSAGQSMUWKB-ROUUACIJSA-N	1	0	359.474	1.532	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@@]3(CNC(=O)c4cnn(C)c4)CCC[C@@H]23)C1=O	ZINC001094360815	960315024	/nfs/dbraw/zinc/31/50/24/960315024.db2.gz	WLUFXIZITWHCPI-MBOZVWFJSA-N	1	0	371.485	1.181	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@@]3(CNC(=O)c4cccn4C)CCC[C@@H]23)C1=O	ZINC001094365680	960322533	/nfs/dbraw/zinc/32/25/33/960322533.db2.gz	NKZNMRVDENQOJH-DBXWQHBBSA-N	1	0	370.497	1.786	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1	ZINC000773281860	960379128	/nfs/dbraw/zinc/37/91/28/960379128.db2.gz	KCKNIABUHYPZFD-INIZCTEOSA-N	1	0	373.453	1.206	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)CCC[C@@H]12	ZINC001094415084	960403922	/nfs/dbraw/zinc/40/39/22/960403922.db2.gz	MOLWRVCHDPXKBJ-WRWLIDTKSA-N	1	0	369.469	1.147	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4cc[nH]cc-4c3=O)CCC[C@@H]12	ZINC001094426403	960427398	/nfs/dbraw/zinc/42/73/98/960427398.db2.gz	XXMVOGYYJVELCO-WIYYLYMNSA-N	1	0	364.449	1.921	20	30		FDEDRO
C#C[C@@H](NC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1)[C@H]1CCCO1	ZINC000773289336	960459255	/nfs/dbraw/zinc/45/92/55/960459255.db2.gz	DARPWLGOLUUQDP-QZTJIDSGSA-N	1	0	363.502	1.890	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4ccccn4c3=O)CCC[C@@H]12	ZINC001094449015	960519269	/nfs/dbraw/zinc/51/92/69/960519269.db2.gz	GUBGZHMXVLYQTN-OXQOHEQNSA-N	1	0	350.422	1.302	20	30		FDEDRO
C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)C(C)(C)Oc1ccc(C#N)cc1	ZINC001181201663	960652757	/nfs/dbraw/zinc/65/27/57/960652757.db2.gz	WJOJSEBNOCMMRU-RBUKOAKNSA-N	1	0	370.497	1.952	20	30		FDEDRO
CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)O1	ZINC001181204956	960658706	/nfs/dbraw/zinc/65/87/06/960658706.db2.gz	NLADBYOBLQJDFG-BRWVUGGUSA-N	1	0	361.442	1.557	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCS(=O)(=O)C3)CCC[C@@H]12	ZINC001094528329	960731002	/nfs/dbraw/zinc/73/10/02/960731002.db2.gz	VQLULCAXWPXRCB-JFIYKMOQSA-N	1	0	354.516	1.748	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cncc(N4CCCC4)n3)CCC[C@@H]12	ZINC001094530175	960737011	/nfs/dbraw/zinc/73/70/11/960737011.db2.gz	WVSOZMKDPAFPCK-YLJYHZDGSA-N	1	0	353.470	1.684	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3nnn(C)c3C(F)(F)F)CCC[C@@H]12	ZINC001094532910	960747637	/nfs/dbraw/zinc/74/76/37/960747637.db2.gz	UOMAYCFUTUPXSB-IAQYHMDHSA-N	1	0	357.380	1.994	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2CC[C@@]3(CNC(=O)c4nnc[nH]4)CCC[C@@H]23)c1	ZINC001094538218	960765809	/nfs/dbraw/zinc/76/58/09/960765809.db2.gz	RZSLSMLEUVHNEE-VQIMIIECSA-N	1	0	350.426	1.851	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(-n4cnnn4)cc3)CCC[C@@H]12	ZINC001094573459	960847176	/nfs/dbraw/zinc/84/71/76/960847176.db2.gz	AWUWTDSEHVIMMN-UYAOXDASSA-N	1	0	364.453	1.660	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CN(CC)CCO3)CCC[C@@H]12	ZINC001094581728	960878402	/nfs/dbraw/zinc/87/84/02/960878402.db2.gz	DWXNUISICLXBMX-JFIYKMOQSA-N	1	0	355.910	1.820	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cn([C@H]4CCOC4)nn3)CCC[C@@H]12	ZINC001094555638	960906292	/nfs/dbraw/zinc/90/62/92/960906292.db2.gz	FURFCGLZNQPUTK-KVSKMBFKSA-N	1	0	357.458	1.237	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)c3cn([C@@H]4CCOC4)nn3)CCC[C@@H]12	ZINC001094556440	960909103	/nfs/dbraw/zinc/90/91/03/960909103.db2.gz	SLBJIOGUGDKLMQ-SZVBFZGTSA-N	1	0	359.474	1.790	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)c3[nH]c(=O)[nH]c(=O)c3OC)CCC[C@@H]12	ZINC001094559293	960915005	/nfs/dbraw/zinc/91/50/05/960915005.db2.gz	MJULQTDWQYWGAK-KZULUSFZSA-N	1	0	362.430	1.447	20	30		FDEDRO
N#Cc1ccccc1CC(=O)NCC(=O)N1CC[NH+](C2CCCCC2)CC1	ZINC001181805678	961128205	/nfs/dbraw/zinc/12/82/05/961128205.db2.gz	NBDOBIOLISNYQQ-UHFFFAOYSA-N	1	0	368.481	1.694	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1C1CCOCC1	ZINC001171777932	961295858	/nfs/dbraw/zinc/29/58/58/961295858.db2.gz	APKAXRRQUPJJOM-RYQLBKOJSA-N	1	0	363.502	1.063	20	30		FDEDRO
C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1	ZINC001171842987	961322123	/nfs/dbraw/zinc/32/21/23/961322123.db2.gz	WJBGEPZSTHELIB-BBWFWOEESA-N	1	0	369.506	1.267	20	30		FDEDRO
N#Cc1ccccc1C(=O)N1CCC([NH2+][C@@H]2CCN3C(=O)CC[C@H]3C2)CC1	ZINC001172153550	961514244	/nfs/dbraw/zinc/51/42/44/961514244.db2.gz	CVUBSRBBXPDLJL-MSOLQXFVSA-N	1	0	366.465	1.906	20	30		FDEDRO
N#Cc1ccccc1C[NH2+]CC1CC(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC000962097511	1013271647	/nfs/dbraw/zinc/27/16/47/1013271647.db2.gz	QAXIXHSNEHKNBP-AJYZDWFCSA-N	1	0	351.450	1.966	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC(C(=O)N2CCN(C)CC2)CC1	ZINC001172319320	961619946	/nfs/dbraw/zinc/61/99/46/961619946.db2.gz	MPSMKONNDPSIPB-KRWDZBQOSA-N	1	0	354.498	1.975	20	30		FDEDRO
CCCCCCC[C@H](CC)[NH2+]CC(=O)NCC(=O)NCC(=O)OCC	ZINC001172351865	961642370	/nfs/dbraw/zinc/64/23/70/961642370.db2.gz	XFLRZWJMBBRYPL-HNNXBMFYSA-N	1	0	357.495	1.511	20	30		FDEDRO
CC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OCC#N)cc1	ZINC001110265615	961672183	/nfs/dbraw/zinc/67/21/83/961672183.db2.gz	URQPRCPFOHFNAC-AZFSHXRASA-N	1	0	370.453	1.335	20	30		FDEDRO
C=C(C)C(=O)NCCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1	ZINC001172966491	961852486	/nfs/dbraw/zinc/85/24/86/961852486.db2.gz	ANZPFGDSTZQRFT-CABCVRRESA-N	1	0	350.463	1.950	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)C[C@H]1C#N	ZINC001172968559	961854118	/nfs/dbraw/zinc/85/41/18/961854118.db2.gz	MGBKELJURYVLQJ-XUXIUFHCSA-N	1	0	357.476	1.443	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CC3(C2)CS(=O)(=O)C3)C[C@H]1C#N	ZINC001172966582	961854977	/nfs/dbraw/zinc/85/49/77/961854977.db2.gz	BESRXYPHOCZXGQ-OCCSQVGLSA-N	1	0	369.487	1.445	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCN2CCC(O)CC2)C[C@H]1C#N	ZINC001172976451	961860056	/nfs/dbraw/zinc/86/00/56/961860056.db2.gz	PVGCHVBKTSFTAK-GJZGRUSLSA-N	1	0	352.479	1.324	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C#N	ZINC001172976440	961860610	/nfs/dbraw/zinc/86/06/10/961860610.db2.gz	PRVXWSZNCXICIM-MJBXVCDLSA-N	1	0	357.476	1.302	20	30		FDEDRO
C[C@@H]1COCCN1CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1	ZINC001172981290	961864302	/nfs/dbraw/zinc/86/43/02/961864302.db2.gz	LOCYSAQGXPNODE-PMPSAXMXSA-N	1	0	352.479	1.588	20	30		FDEDRO
CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1	ZINC001172986773	961868067	/nfs/dbraw/zinc/86/80/67/961868067.db2.gz	YETGNOPYJGDAIP-QKPAOTATSA-N	1	0	362.474	1.973	20	30		FDEDRO
C[C@H]1CN(O)C(=O)[C@H]1[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1	ZINC001173010543	961883907	/nfs/dbraw/zinc/88/39/07/961883907.db2.gz	XZJKNEUDAUQTNH-XPTSAGLGSA-N	1	0	370.356	1.668	20	30		FDEDRO
CCCCCCCCC[C@H](CCC)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO	ZINC001173284904	962001874	/nfs/dbraw/zinc/00/18/74/962001874.db2.gz	KRBVTJGLJQJBLH-NTZUZEMLSA-N	1	0	361.523	1.528	20	30		FDEDRO
C=CCOC1CCC([N@@H+]2CCC[C@]3(CCC(=O)N3CC(=O)NC)C2)CC1	ZINC001173323965	962004001	/nfs/dbraw/zinc/00/40/01/962004001.db2.gz	KDCXTSZYAAFZPL-UHYCVJNDSA-N	1	0	363.502	1.703	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+]CC3(C(N)=O)CCOCC3)CC2)cc1	ZINC001173421010	962115930	/nfs/dbraw/zinc/11/59/30/962115930.db2.gz	LMJMEKIOSNFFAR-UHFFFAOYSA-N	1	0	370.453	1.035	20	30		FDEDRO
COC(=O)[C@@H](CCC[NH3+])NC1CCN(C(=O)c2ccc(C#N)cc2)CC1	ZINC001173424601	962126923	/nfs/dbraw/zinc/12/69/23/962126923.db2.gz	ZUNHKCVZRFOFMS-QGZVFWFLSA-N	1	0	358.442	1.033	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+]C3CN(c4ccncn4)C3)CC2)cc1	ZINC001173426835	962138382	/nfs/dbraw/zinc/13/83/82/962138382.db2.gz	GXYIUZPAEUMGFR-UHFFFAOYSA-N	1	0	362.437	1.431	20	30		FDEDRO
C[C@]1(CO)C[N@@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC[C@@H]1O	ZINC001173430760	962148495	/nfs/dbraw/zinc/14/84/95/962148495.db2.gz	YPINIKYZFPDSNF-AZUAARDMSA-N	1	0	357.454	1.228	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1C	ZINC001182599273	962353176	/nfs/dbraw/zinc/35/31/76/962353176.db2.gz	UCKDBDHMLMZAKC-AXVVYFOYSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCc2ccnn2C)C1	ZINC001182669217	962380280	/nfs/dbraw/zinc/38/02/80/962380280.db2.gz	IPNMAAKSANNGDY-PHXBYCTMSA-N	1	0	360.502	1.628	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2nnc(CC)o2)C1	ZINC001182685589	962435267	/nfs/dbraw/zinc/43/52/67/962435267.db2.gz	YEPUFXFVPRWOAI-BKEDOTJMSA-N	1	0	362.474	1.797	20	30		FDEDRO
COC(=O)[C@@H]1C[C@H](NC(=[NH2+])c2ccc3ccccc3n2)C[C@@H]1C(=O)OC	ZINC001173580671	962446858	/nfs/dbraw/zinc/44/68/58/962446858.db2.gz	DCDCDPLYTXBKSM-BTTYYORXSA-N	1	0	355.394	1.681	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C[C@@]1(C)CNCC#N	ZINC001182701228	962458808	/nfs/dbraw/zinc/45/88/08/962458808.db2.gz	MGJSMKRJSMXSJZ-RDPOXOKHSA-N	1	0	354.498	1.930	20	30		FDEDRO
N#Cc1ccc(N2CCC[N@@H+]([C@H]3CCC[C@H](n4ncnn4)C3)CC2)nc1	ZINC001173762412	962650348	/nfs/dbraw/zinc/65/03/48/962650348.db2.gz	BORWKBWEZHUPAA-IRXDYDNUSA-N	1	0	352.446	1.636	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1Cc2cncn2C[C@@H](COCC2CC2)C1	ZINC001183043735	962756605	/nfs/dbraw/zinc/75/66/05/962756605.db2.gz	XMMUXDBTGLMKCH-SFHVURJKSA-N	1	0	358.486	1.920	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CCc2c(ncn2C(C)C)[C@H]1CNC(C)=O	ZINC001183043361	962756667	/nfs/dbraw/zinc/75/66/67/962756667.db2.gz	RBQOZCZJTDVYMU-GOSISDBHSA-N	1	0	373.501	1.678	20	30		FDEDRO
CN1C[C@@H](C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)NC1=O	ZINC001183077824	962778761	/nfs/dbraw/zinc/77/87/61/962778761.db2.gz	WGJYBUAEZAIBCR-ULQDDVLXSA-N	1	0	355.442	1.180	20	30		FDEDRO
N#CC1(NC(=O)[C@H](CO)C(F)(F)F)CC[NH+](Cc2ccccc2)CC1	ZINC001183287053	962978734	/nfs/dbraw/zinc/97/87/34/962978734.db2.gz	IWEDHXOIWBDFIP-AWEZNQCLSA-N	1	0	355.360	1.832	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C(=O)NC)cc1	ZINC001110183152	963100213	/nfs/dbraw/zinc/10/02/13/963100213.db2.gz	LOFRSMBJZYRHBJ-OAOYMFHYSA-N	1	0	371.481	1.859	20	30		FDEDRO
C[C@@H](CCCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1	ZINC001175246050	963108632	/nfs/dbraw/zinc/10/86/32/963108632.db2.gz	UMXXSVNKYQXFET-YTQUADARSA-N	1	0	371.481	1.336	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)(C)C)C2	ZINC001110206143	963817842	/nfs/dbraw/zinc/81/78/42/963817842.db2.gz	AFQGAMNZLJJHKJ-LTIDMASMSA-N	1	0	351.491	1.461	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CCC[NH2+]CC(N)=O)CC1CCCC1	ZINC001177440420	963845924	/nfs/dbraw/zinc/84/59/24/963845924.db2.gz	LBVHSONTNLLHPI-WMZOPIPTSA-N	1	0	351.491	1.451	20	30		FDEDRO
COc1cc(C[NH2+]Cc2cc(C#N)ccc2N(C)C)ccc1OCC(N)=O	ZINC001177697752	963941563	/nfs/dbraw/zinc/94/15/63/963941563.db2.gz	FNBXRQUOPBFEFD-UHFFFAOYSA-N	1	0	368.437	1.787	20	30		FDEDRO
C[NH+](C)CCOCc1ncn2c1CN(C(=O)C#Cc1cccnc1)CCC2	ZINC001177776690	963949299	/nfs/dbraw/zinc/94/92/99/963949299.db2.gz	DPFLVJTXQKCSTO-UHFFFAOYSA-N	1	0	367.453	1.140	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3n(c1)CCCC3)C2	ZINC001110216592	964102829	/nfs/dbraw/zinc/10/28/29/964102829.db2.gz	VLSDQKBIWOVFAT-VLQPXKRTSA-N	1	0	370.497	1.850	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H](n2cc(C[NH2+]CCC)nn2)C1	ZINC001185942650	964206307	/nfs/dbraw/zinc/20/63/07/964206307.db2.gz	MMHOFBDFYOQZEF-KSZLIROESA-N	1	0	361.490	1.922	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCCCCCC[NH2+]CC(=O)NCCC	ZINC001178508989	964261856	/nfs/dbraw/zinc/26/18/56/964261856.db2.gz	AWIFMUXXVPICPL-SJORKVTESA-N	1	0	353.507	1.760	20	30		FDEDRO
C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)C#Cc2ccc(F)cc2F)C1	ZINC001178570226	964306623	/nfs/dbraw/zinc/30/66/23/964306623.db2.gz	SUNDWZADVMEMCG-AWEZNQCLSA-N	1	0	358.392	1.733	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cc2nc[nH]n2)C1	ZINC001186203413	964350122	/nfs/dbraw/zinc/35/01/22/964350122.db2.gz	LARBDVZKVFKAAH-SJLPKXTDSA-N	1	0	369.444	1.732	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)C2(C(=O)NC)CC2)C1	ZINC001186202916	964350316	/nfs/dbraw/zinc/35/03/16/964350316.db2.gz	AAEHTLJETVFLDU-SJLPKXTDSA-N	1	0	371.456	1.507	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cn2cnnn2)C1	ZINC001186166111	964350962	/nfs/dbraw/zinc/35/09/62/964350962.db2.gz	OTKKWCHUBBZZDW-SJLPKXTDSA-N	1	0	370.432	1.057	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cn2cccn2)C1	ZINC001186166518	964353536	/nfs/dbraw/zinc/35/35/36/964353536.db2.gz	WKTGLXCKGMFYRU-IEBWSBKVSA-N	1	0	354.429	1.877	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+][C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)c1	ZINC001186229509	964364174	/nfs/dbraw/zinc/36/41/74/964364174.db2.gz	YRLOQJLHEBVEBM-CEXWTWQISA-N	1	0	351.450	1.843	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[C@H](c3ccccc3)O2)[C@H]1C	ZINC001178718763	964396637	/nfs/dbraw/zinc/39/66/37/964396637.db2.gz	IJSQOZVPIVMSIC-KANFNMMFSA-N	1	0	369.465	1.235	20	30		FDEDRO
N#C[C@@H]1CNCCN1C(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1	ZINC001186308521	964433807	/nfs/dbraw/zinc/43/38/07/964433807.db2.gz	YANPFRCLNIUUFP-NHCUHLMSSA-N	1	0	360.461	1.937	20	30		FDEDRO
N#C[C@H]1CNCCN1C(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1	ZINC001186308523	964434430	/nfs/dbraw/zinc/43/44/30/964434430.db2.gz	YANPFRCLNIUUFP-SFTDATJTSA-N	1	0	360.461	1.937	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCO[C@H]2C(=C)C)CC12CCOCC2	ZINC001186520968	964546089	/nfs/dbraw/zinc/54/60/89/964546089.db2.gz	BLCRNDLWFBUCQK-QYZOEREBSA-N	1	0	360.498	1.836	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1ccnn1C	ZINC001179101743	964686696	/nfs/dbraw/zinc/68/66/96/964686696.db2.gz	ILWXZDGVMGLCFP-HZPDHXFCSA-N	1	0	361.490	1.092	20	30		FDEDRO
N#CCSCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C(N)=O)cc3)C[C@H]21	ZINC001186908169	964866244	/nfs/dbraw/zinc/86/62/44/964866244.db2.gz	JKAFFWAJPGXWKD-JKSUJKDBSA-N	1	0	358.467	1.075	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)Nc2cc(C)on2)[C@@H]1C	ZINC001179565318	964900359	/nfs/dbraw/zinc/90/03/59/964900359.db2.gz	CQIHETGLJWOHCR-XGUBFFRZSA-N	1	0	362.430	1.092	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+]CCNC(=O)NC(C)C	ZINC001179634545	964941156	/nfs/dbraw/zinc/94/11/56/964941156.db2.gz	SSKRWRLLIHNVCI-SJORKVTESA-N	1	0	368.522	1.551	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCCCC[NH2+]CCS(C)(=O)=O	ZINC001179797267	964993082	/nfs/dbraw/zinc/99/30/82/964993082.db2.gz	UGSAJOFQJXRFIF-HOTGVXAUSA-N	1	0	360.520	1.278	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)N(C(C)C)C(C)C)C[C@H]21	ZINC001187281133	965160985	/nfs/dbraw/zinc/16/09/85/965160985.db2.gz	SXHJWMHJOYTFHL-FGTMMUONSA-N	1	0	365.518	1.756	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(=O)[nH]3)[C@@H]2C1	ZINC001187457049	965369924	/nfs/dbraw/zinc/36/99/24/965369924.db2.gz	XJDBHQJHDZCYHG-DOTOQJQBSA-N	1	0	370.453	1.134	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]32)[nH]1	ZINC001187530947	965473717	/nfs/dbraw/zinc/47/37/17/965473717.db2.gz	QHTLXFDXAXPGGC-VHRBIJSZSA-N	1	0	356.348	1.346	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)COc3ccccc3)C[C@H]21	ZINC001187706723	965650131	/nfs/dbraw/zinc/65/01/31/965650131.db2.gz	QLGPAFQMDHSPDN-CMKODMSKSA-N	1	0	356.466	1.763	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CC[C@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@H]21	ZINC001187764381	965732253	/nfs/dbraw/zinc/73/22/53/965732253.db2.gz	YKWINAPKHZWFLM-YSVLISHTSA-N	1	0	352.866	1.396	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c(C)nc4ccccc43)[C@@H]2C1	ZINC001187849925	965790073	/nfs/dbraw/zinc/79/00/73/965790073.db2.gz	YVEQIWLQQHHEEO-FXAWDEMLSA-N	1	0	366.465	1.527	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc4c(c3)nnn4C)C[C@H]21	ZINC001187865144	965807800	/nfs/dbraw/zinc/80/78/00/965807800.db2.gz	JOWJGMGFTNQTLK-QFBILLFUSA-N	1	0	367.453	1.041	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21	ZINC001187865156	965809423	/nfs/dbraw/zinc/80/94/23/965809423.db2.gz	KMAWHEAZEGVXTL-AZUAARDMSA-N	1	0	367.449	1.662	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](C[C@@H](O)COCc3ccco3)C[C@H]21	ZINC001187833906	965830060	/nfs/dbraw/zinc/83/00/60/965830060.db2.gz	YCOPDUIEABHAIX-YQVWRLOYSA-N	1	0	358.438	1.103	20	30		FDEDRO
C[C@H](CC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21)NC(N)=O	ZINC001187911091	965853683	/nfs/dbraw/zinc/85/36/83/965853683.db2.gz	AQPZQHFXBHHDBP-XOKHGSTOSA-N	1	0	355.442	1.038	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)COCCOC)C[C@H]21	ZINC001188033164	965981602	/nfs/dbraw/zinc/98/16/02/965981602.db2.gz	DDOYZUUPWRIQMR-IPMKNSEASA-N	1	0	366.502	1.311	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(=O)[nH]c4ncn(C)c43)[C@@H]2C1	ZINC001188174524	966078686	/nfs/dbraw/zinc/07/86/86/966078686.db2.gz	XIZDRQQJRIDCNP-DZGCQCFKSA-N	1	0	371.441	1.023	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3n[nH]c(CC)c3Cl)[C@@H]2C1	ZINC001188230879	966141551	/nfs/dbraw/zinc/14/15/51/966141551.db2.gz	PDYYSZOJLOXDIQ-GXTWGEPZSA-N	1	0	352.866	1.974	20	30		FDEDRO
C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)C/C=C\c3ccc(F)cc3)[C@@H]2C1	ZINC001188348402	966202912	/nfs/dbraw/zinc/20/29/12/966202912.db2.gz	ALFFOCKOQHTWET-VKCQWTKXSA-N	1	0	369.440	1.511	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccccc3CC)[C@@H]2C1	ZINC001188308266	966234092	/nfs/dbraw/zinc/23/40/92/966234092.db2.gz	WBWQPXSWOLUDJK-FFZOFVMBSA-N	1	0	367.493	1.462	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-c4cn[nH]c4)cn3)[C@@H]2C1	ZINC001188369588	966239308	/nfs/dbraw/zinc/23/93/08/966239308.db2.gz	MKBQLAYTTFPIQC-QFBILLFUSA-N	1	0	367.453	1.821	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+](C[C@H](O)COC)C[C@H]32)cc1	ZINC001188357085	966274228	/nfs/dbraw/zinc/27/42/28/966274228.db2.gz	ZVRCBVDGKRQKAO-JENIJYKNSA-N	1	0	360.454	1.405	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3nncc4ccccc43)[C@@H]2C1	ZINC001188528514	966362890	/nfs/dbraw/zinc/36/28/90/966362890.db2.gz	OCCIUJAZOOSKIJ-FUHWJXTLSA-N	1	0	352.438	1.979	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)c3ccn4ccnc4c3)[C@@H]2C1	ZINC001188535359	966405788	/nfs/dbraw/zinc/40/57/88/966405788.db2.gz	BNXTXLAVHRSTPA-HYVNUMGLSA-N	1	0	367.453	1.171	20	30		FDEDRO
C#Cc1ccc(C(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)cc1	ZINC001188742510	966551272	/nfs/dbraw/zinc/55/12/72/966551272.db2.gz	CAKMJAZXEYTBHQ-UHFFFAOYSA-N	1	0	369.446	1.228	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(c3)[C@@H](C)CO4)[C@@H]2C1	ZINC001188857224	966624619	/nfs/dbraw/zinc/62/46/19/966624619.db2.gz	XGTIVDKWLAFBDP-VDZJLULYSA-N	1	0	354.450	1.979	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4nn(C)cc43)[C@@H]2C1	ZINC001188949621	966666952	/nfs/dbraw/zinc/66/69/52/966666952.db2.gz	STJPCZMNOKURRE-TXPKVOOTSA-N	1	0	356.470	1.023	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)c3cc(C)nn3CC)[C@@H]2C1	ZINC001189223675	966834702	/nfs/dbraw/zinc/83/47/02/966834702.db2.gz	KCSPDEGUAHPNOR-HLLBOEOZSA-N	1	0	359.474	1.048	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3Cc4cc(F)ccc4O3)[C@@H]2C1	ZINC001189277229	966894746	/nfs/dbraw/zinc/89/47/46/966894746.db2.gz	RUQBUWWJVXFCPS-POZUXBRTSA-N	1	0	360.429	1.865	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc(N2CCOCC2)cc1	ZINC000775260447	967029564	/nfs/dbraw/zinc/02/95/64/967029564.db2.gz	PBNPVJXIYWRSGR-KRWDZBQOSA-N	1	0	369.469	1.830	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)n3cnc4ccccc43)[C@@H]2C1	ZINC001189639665	967100320	/nfs/dbraw/zinc/10/03/20/967100320.db2.gz	BOZIUNIMGBRJSQ-FUHIMQAGSA-N	1	0	366.465	1.780	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CCN(C(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000957643656	1013699531	/nfs/dbraw/zinc/69/95/31/1013699531.db2.gz	MFLMISPSJZZDLQ-FUHIMQAGSA-N	1	0	368.437	1.646	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](OC)C(F)(F)F)[C@@H]2C1	ZINC001189675343	967140723	/nfs/dbraw/zinc/14/07/23/967140723.db2.gz	GFDDUFCNZRPDIU-BFHYXJOUSA-N	1	0	350.381	1.689	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)NC(=O)CC(C)(C)C)[C@@H]2C1	ZINC001189763730	967247301	/nfs/dbraw/zinc/24/73/01/967247301.db2.gz	NRLBTQFNNRSLJQ-IXDOHACOSA-N	1	0	365.518	1.663	20	30		FDEDRO
CCNC(=O)CCCC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001189836560	967297254	/nfs/dbraw/zinc/29/72/54/967297254.db2.gz	UNTZWRJRGXEDAP-RBUKOAKNSA-N	1	0	368.481	1.897	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]32)nc1	ZINC001189843793	967343267	/nfs/dbraw/zinc/34/32/67/967343267.db2.gz	LFQTUCDIDOKPQM-CMKODMSKSA-N	1	0	371.481	1.243	20	30		FDEDRO
COc1ccc(N2CC[NH+](C[C@H](O)CN([C@@H](C)C#N)C3CC3)CC2)cc1	ZINC000852479553	967363576	/nfs/dbraw/zinc/36/35/76/967363576.db2.gz	GNNGKGMWIKONQU-LPHOPBHVSA-N	1	0	358.486	1.555	20	30		FDEDRO
C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N	ZINC001190052212	967519902	/nfs/dbraw/zinc/51/99/02/967519902.db2.gz	FSRSWWFHKWBPTD-SWLSCSKDSA-N	1	0	364.427	1.714	20	30		FDEDRO
C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N	ZINC001190052213	967520150	/nfs/dbraw/zinc/52/01/50/967520150.db2.gz	FSRSWWFHKWBPTD-WFASDCNBSA-N	1	0	364.427	1.714	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCOc3cccc(C)c3)[C@@H]2C1	ZINC001190140191	967553957	/nfs/dbraw/zinc/55/39/57/967553957.db2.gz	ODJGWKRQMDPBHO-AZUAARDMSA-N	1	0	356.466	1.946	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@H](C(C)C)[C@@H](O)c1ccc(Cl)cc1	ZINC000852730645	967556362	/nfs/dbraw/zinc/55/63/62/967556362.db2.gz	FRCWLPGACXCPRH-HOTGVXAUSA-N	1	0	353.850	1.999	20	30		FDEDRO
C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N	ZINC001190148559	967561844	/nfs/dbraw/zinc/56/18/44/967561844.db2.gz	YCJWALXHGLLBBU-DOMZBBRYSA-N	1	0	364.427	1.714	20	30		FDEDRO
CC(C)COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C#N)c[nH]1)C2	ZINC001110423080	967592752	/nfs/dbraw/zinc/59/27/52/967592752.db2.gz	KIKZOCVIQIZILO-KONPQCLYSA-N	1	0	360.458	1.255	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)Nc1cccc(OCC(=O)N2CCCC2)c1	ZINC000852811287	967624007	/nfs/dbraw/zinc/62/40/07/967624007.db2.gz	TWMDOAAANSDDJR-UHFFFAOYSA-N	1	0	355.438	1.629	20	30		FDEDRO
C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000852831943	967641433	/nfs/dbraw/zinc/64/14/33/967641433.db2.gz	ADXVSBMXPBKJOO-CQSZACIVSA-N	1	0	363.483	1.117	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1nc(C)nc1C	ZINC001110424125	967652508	/nfs/dbraw/zinc/65/25/08/967652508.db2.gz	GJTWWOGDLUTNRA-KURKYZTESA-N	1	0	361.490	1.599	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N[C@H]1CCCN(c2ccccc2Cl)C1=O	ZINC000852847011	967653150	/nfs/dbraw/zinc/65/31/50/967653150.db2.gz	MYJHADCAELQYEE-INIZCTEOSA-N	1	0	359.857	1.955	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCN(Cc2nc3ccccc3s2)CC1	ZINC000852854545	967659497	/nfs/dbraw/zinc/65/94/97/967659497.db2.gz	JZLFRPKPDQRINV-UHFFFAOYSA-N	1	0	368.506	1.944	20	30		FDEDRO
C=CCc1cc(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)cc(OC)c1OC	ZINC000852872768	967679139	/nfs/dbraw/zinc/67/91/39/967679139.db2.gz	QMVWYQBTVJSXMC-UHFFFAOYSA-N	1	0	358.398	1.317	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1C[C@@H]2CCN(C(=O)[C@@H](C)CCOC)[C@@H]2C1	ZINC001190241244	967689186	/nfs/dbraw/zinc/68/91/86/967689186.db2.gz	UAEYFYZLMHELBZ-OKZBNKHCSA-N	1	0	363.502	1.392	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c(C)n[nH]c3C)[C@@H]2C1	ZINC001190241174	967689681	/nfs/dbraw/zinc/68/96/81/967689681.db2.gz	PRUJTFGKMUPKHU-UCLAIMLFSA-N	1	0	358.486	1.388	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH]c4ncccc34)[C@@H]2C1	ZINC001190401064	967796290	/nfs/dbraw/zinc/79/62/90/967796290.db2.gz	SLLJUFPTBLJNKV-MAUKXSAKSA-N	1	0	354.454	1.841	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3C(=O)Nc4ccccc43)[C@@H]2C1	ZINC001190466929	967892856	/nfs/dbraw/zinc/89/28/56/967892856.db2.gz	IKGFLGKZSJDTQH-VDZJLULYSA-N	1	0	367.449	1.295	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)c3c(C)nn(C)c3C)[C@@H]2C1	ZINC001190496060	967930999	/nfs/dbraw/zinc/93/09/99/967930999.db2.gz	XTVHTZFAFZRTPI-FHLIZLRMSA-N	1	0	360.502	1.876	20	30		FDEDRO
C#CCN(CC(=O)OC(C)(C)C)C(=O)NCC(C)(C)N1CCOCC1	ZINC000853232693	967933410	/nfs/dbraw/zinc/93/34/10/967933410.db2.gz	HRGDOUYCAJHLTQ-UHFFFAOYSA-N	1	0	353.463	1.084	20	30		FDEDRO
CC(=NNC1=[NH+][C@H]2CCCC[C@H]2N1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000853324648	967971290	/nfs/dbraw/zinc/97/12/90/967971290.db2.gz	LUKQOZBIQNVTJR-ZNMIVQPWSA-N	1	0	365.478	1.858	20	30		FDEDRO
CC(C)([NH3+])CN(C(=O)c1ccc(C#N)cn1)S(=O)(=O)c1ccccc1	ZINC001190599559	967976655	/nfs/dbraw/zinc/97/66/55/967976655.db2.gz	AWFRCKBAFGMRFT-UHFFFAOYSA-N	1	0	358.423	1.522	20	30		FDEDRO
C[NH+]1CCN(C2CCN(S(=O)(=O)c3cc(C#N)ccc3F)CC2)CC1	ZINC001190631474	967995724	/nfs/dbraw/zinc/99/57/24/967995724.db2.gz	XAYXJCVEZDMWFA-UHFFFAOYSA-N	1	0	366.462	1.098	20	30		FDEDRO
C=CCC1(S(=O)(=O)N2CCC([NH+]3CCC(C(N)=O)CC3)CC2)CC1	ZINC001190797646	968097735	/nfs/dbraw/zinc/09/77/35/968097735.db2.gz	AJIQKJDTSAACIV-UHFFFAOYSA-N	1	0	355.504	1.087	20	30		FDEDRO
N#CC1(NS(=O)(=O)c2ccncc2)CCN(Cc2ccccc2)CC1	ZINC001190918009	968194586	/nfs/dbraw/zinc/19/45/86/968194586.db2.gz	ZZUSSSGITCAZOU-UHFFFAOYSA-N	1	0	356.451	1.918	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](C3N=NC(=S)N3C)C2)CC1	ZINC000853692155	968252865	/nfs/dbraw/zinc/25/28/65/968252865.db2.gz	QNXBLQXCCMNVCK-CYBMUJFWSA-N	1	0	364.519	1.643	20	30		FDEDRO
COc1ccc(CNC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)cc1C#N	ZINC000853882216	968395838	/nfs/dbraw/zinc/39/58/38/968395838.db2.gz	DKBKVQWXOYPFJJ-KRWDZBQOSA-N	1	0	360.458	1.819	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@](C)(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1	ZINC000957686897	1013796554	/nfs/dbraw/zinc/79/65/54/1013796554.db2.gz	XBNCQIAHACLZNA-DCXXXQMHSA-N	1	0	373.497	1.006	20	30		FDEDRO
C[N@H+](CC#Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC001191432117	968509824	/nfs/dbraw/zinc/50/98/24/968509824.db2.gz	ZWUNUHCKAIXKSY-YQPXSLGVSA-N	1	0	350.462	1.994	20	30		FDEDRO
C[N@H+](CC#Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1	ZINC001191478820	968533750	/nfs/dbraw/zinc/53/37/50/968533750.db2.gz	MLCAOMYJHCVYCJ-XSDIEEQYSA-N	1	0	368.477	1.622	20	30		FDEDRO
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC000854057070	968563381	/nfs/dbraw/zinc/56/33/81/968563381.db2.gz	CPTJLQDEXRLPIN-ICSRJNTNSA-N	1	0	355.482	1.862	20	30		FDEDRO
N#Cc1cc(C(=O)N(c2ncccc2F)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)ccn1	ZINC001191548405	968605645	/nfs/dbraw/zinc/60/56/45/968605645.db2.gz	JLDPVBWWBZDCGH-HNAYVOBHSA-N	1	0	367.384	1.655	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@H]1O	ZINC001191608968	968661394	/nfs/dbraw/zinc/66/13/94/968661394.db2.gz	PUOOTLOGQWUTSY-CDHQVMDDSA-N	1	0	358.482	1.818	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1CN(Cc2cc(-c3ccccc3OC)no2)C[C@H]1O	ZINC001191644996	968684840	/nfs/dbraw/zinc/68/48/40/968684840.db2.gz	CHJBFUZDSQZUIW-QZTJIDSGSA-N	1	0	371.437	1.978	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](CCCc2ccc(C(F)(F)F)cc2)C[C@H]1O	ZINC001191882754	968834898	/nfs/dbraw/zinc/83/48/98/968834898.db2.gz	XCEHUJVUDKSCPI-DAXOMENPSA-N	1	0	369.387	1.959	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@H]1O	ZINC001192053663	968930874	/nfs/dbraw/zinc/93/08/74/968930874.db2.gz	CHXJPTLERVPQSU-WOJBJXKFSA-N	1	0	358.482	1.819	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)CCc2ccccc2)C[C@H]1O	ZINC001192321218	969061799	/nfs/dbraw/zinc/06/17/99/969061799.db2.gz	TWYJOWWYPXVFRQ-VAMGGRTRSA-N	1	0	358.482	1.335	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C1(CC(=O)OC(C)(C)C)CCOCC1	ZINC000854662580	969065048	/nfs/dbraw/zinc/06/50/48/969065048.db2.gz	GCAMPBSEGHIPKN-UHFFFAOYSA-N	1	0	352.475	1.586	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1O	ZINC001192328216	969065581	/nfs/dbraw/zinc/06/55/81/969065581.db2.gz	BUENQDKKYBCYGJ-ZIAGYGMSSA-N	1	0	350.381	1.310	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCCN(C(=O)OCC)C1	ZINC000776752956	969081965	/nfs/dbraw/zinc/08/19/65/969081965.db2.gz	PNISXPFBUSFZDA-RDBSUJKOSA-N	1	0	354.451	1.233	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2)C[C@H]1O	ZINC001192529912	969174177	/nfs/dbraw/zinc/17/41/77/969174177.db2.gz	IPKVEEWGOMRWKK-DBXWQHBBSA-N	1	0	360.498	1.973	20	30		FDEDRO
CCC(C)(C)NC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C#N)[nH]1)C2	ZINC001110449800	969278214	/nfs/dbraw/zinc/27/82/14/969278214.db2.gz	CQUNBOJWGDGJRA-BMFZPTHFSA-N	1	0	357.458	1.526	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O	ZINC001192915932	969364459	/nfs/dbraw/zinc/36/44/59/969364459.db2.gz	IGDNMERTOVXJPF-QZTJIDSGSA-N	1	0	354.491	1.337	20	30		FDEDRO
C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(S(=O)(=O)CC#N)CC2	ZINC001192952265	969371937	/nfs/dbraw/zinc/37/19/37/969371937.db2.gz	UXRBOVIZTLLSOO-KRWDZBQOSA-N	1	0	363.483	1.595	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@H]1O	ZINC001193312898	969653790	/nfs/dbraw/zinc/65/37/90/969653790.db2.gz	QVPLCEOQPNUECK-OWCLPIDISA-N	1	0	358.910	1.868	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[N@H+](CCOCCOc2ccccc2)C[C@H]1O	ZINC001193376202	969667183	/nfs/dbraw/zinc/66/71/83/969667183.db2.gz	BEDGCCQTQVNDAL-RTBURBONSA-N	1	0	362.470	1.600	20	30		FDEDRO
C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cncc(-c3ccccc3)c2)C1	ZINC001193504671	969728011	/nfs/dbraw/zinc/72/80/11/969728011.db2.gz	AGJCCYMCMOJJGD-WOJBJXKFSA-N	1	0	367.449	1.726	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cncc3ccccc32)C1	ZINC001193883187	969892869	/nfs/dbraw/zinc/89/28/69/969892869.db2.gz	LGQBQVWPNYTEJR-RTBURBONSA-N	1	0	355.438	1.141	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)C1	ZINC001193902572	969916104	/nfs/dbraw/zinc/91/61/04/969916104.db2.gz	UFUZOMSVELFAMQ-KBUPBQIOSA-N	1	0	364.408	1.719	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(N3C(=O)CCC3=O)c(C)c2)CC1	ZINC000112591838	969928586	/nfs/dbraw/zinc/92/85/86/969928586.db2.gz	YHPIWZCQONNBNE-UHFFFAOYSA-N	1	0	353.422	1.932	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3cn[nH]c3)cn2)C1	ZINC001194236133	970067582	/nfs/dbraw/zinc/06/75/82/970067582.db2.gz	SYOMHCFFUAZDFJ-RTBURBONSA-N	1	0	369.469	1.993	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)NC[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1	ZINC000855081581	970146961	/nfs/dbraw/zinc/14/69/61/970146961.db2.gz	WTWRJSXKOWWGRJ-WMLDXEAASA-N	1	0	361.490	1.342	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2C(F)(F)F)C1	ZINC001194391667	970153915	/nfs/dbraw/zinc/15/39/15/970153915.db2.gz	RUEYXVAWGJOAMO-CYZMBNFOSA-N	1	0	360.380	1.569	20	30		FDEDRO
COc1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)n(C)n1	ZINC001194750011	970357766	/nfs/dbraw/zinc/35/77/66/970357766.db2.gz	DDCGWRNPXXDIPI-UHFFFAOYSA-N	1	0	353.426	1.717	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000855539516	970480848	/nfs/dbraw/zinc/48/08/48/970480848.db2.gz	NWQLCLZYXRYYSF-ZDUSSCGKSA-N	1	0	355.360	1.741	20	30		FDEDRO
C[NH+](C)C1(CC(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@H]2O)CCCC1	ZINC001195005728	970607436	/nfs/dbraw/zinc/60/74/36/970607436.db2.gz	ANLCPTOPBQIRQK-RTBURBONSA-N	1	0	370.497	1.484	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1cccc(OC)c1	ZINC001110466301	970720105	/nfs/dbraw/zinc/72/01/05/970720105.db2.gz	KTDDMCROVLWRRB-WLWJZTKJSA-N	1	0	369.465	1.617	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2COCCN2C(=O)OC(C)(C)C)CC1	ZINC000862989207	972561219	/nfs/dbraw/zinc/56/12/19/972561219.db2.gz	RXUKEYOPBOKZIJ-MRXNPFEDSA-N	1	0	365.474	1.084	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2OCCc3ccsc32)C1	ZINC001197935201	972562008	/nfs/dbraw/zinc/56/20/08/972562008.db2.gz	NAPUXHZECKWZNM-BZUAXINKSA-N	1	0	366.483	1.116	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1	ZINC000957955085	1014045307	/nfs/dbraw/zinc/04/53/07/1014045307.db2.gz	CZHZZALZTLMCRW-IIDMSEBBSA-N	1	0	371.485	1.585	20	30		FDEDRO
CC(=[NH+]N[C@@H]1CCCS(=O)(=O)C1)c1ccc(N2CCOCC2)cc1	ZINC000863129028	972671009	/nfs/dbraw/zinc/67/10/09/972671009.db2.gz	SFWDAEASQJSGCB-MRXNPFEDSA-N	1	0	351.472	1.414	20	30		FDEDRO
C[NH+](C)C1CCN(c2ccc(NC(=O)Cn3cnc(C#N)n3)cc2)CC1	ZINC000775816624	972746240	/nfs/dbraw/zinc/74/62/40/972746240.db2.gz	XNIBJCHLUNDWDU-UHFFFAOYSA-N	1	0	353.430	1.319	20	30		FDEDRO
CCCCCCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O	ZINC001198069424	972761388	/nfs/dbraw/zinc/76/13/88/972761388.db2.gz	ZKMXTLFNRZHWIW-KZNAEPCWSA-N	1	0	366.506	1.156	20	30		FDEDRO
C=CC[C@]1(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)CCCN1C(=O)OC(C)(C)C	ZINC000863321247	972798750	/nfs/dbraw/zinc/79/87/50/972798750.db2.gz	QNCXAMHBKDODJQ-DNVCBOLYSA-N	1	0	367.490	1.515	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]C1CCN(C[C@H]2CCCO2)CC1	ZINC000863550897	973007911	/nfs/dbraw/zinc/00/79/11/973007911.db2.gz	CESOKMFEHPVAOT-RTBURBONSA-N	1	0	359.470	1.531	20	30		FDEDRO
C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@H](O)CC1(C#N)CCOCC1	ZINC000863553551	973011526	/nfs/dbraw/zinc/01/15/26/973011526.db2.gz	DVVYLCOJIPLDGZ-LSDHHAIUSA-N	1	0	355.479	1.808	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]Cc2ccc(N3CCCNC3=O)cc2)CCOCC1	ZINC000863562978	973017697	/nfs/dbraw/zinc/01/76/97/973017697.db2.gz	MIRPSZMBVJAWNQ-GOSISDBHSA-N	1	0	372.469	1.767	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CCCC1	ZINC000863765991	973194750	/nfs/dbraw/zinc/19/47/50/973194750.db2.gz	YDUOGVOHKBYTKE-JSGCOSHPSA-N	1	0	359.392	1.377	20	30		FDEDRO
C#CCN(Cc1ccccc1)S(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C	ZINC000796217916	1014088855	/nfs/dbraw/zinc/08/88/55/1014088855.db2.gz	GMHOMNZISZQJBI-UHFFFAOYSA-N	1	0	374.510	1.886	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cc(C)oc2C)C1	ZINC001198785414	973471503	/nfs/dbraw/zinc/47/15/03/973471503.db2.gz	ORCRTYZHVLTLDX-CSMYWGQOSA-N	1	0	363.458	1.142	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)nc3cc(C)nn32)C1	ZINC001198753655	973484045	/nfs/dbraw/zinc/48/40/45/973484045.db2.gz	KPJRATMCWFMVFE-SJLPKXTDSA-N	1	0	371.485	1.867	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2noc3c2COCC3)C1	ZINC001198848467	973579636	/nfs/dbraw/zinc/57/96/36/973579636.db2.gz	QFJYUOXLSYJGCM-HUUCEWRRSA-N	1	0	351.447	1.493	20	30		FDEDRO
C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C)c1ccccc1OC	ZINC001198903147	973634319	/nfs/dbraw/zinc/63/43/19/973634319.db2.gz	VQMHBQOMCUYLRT-GVDBMIGSSA-N	1	0	359.470	1.743	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000466773625	974006491	/nfs/dbraw/zinc/00/64/91/974006491.db2.gz	CHIDWDONJWKNID-JKIFEVAISA-N	1	0	369.473	1.051	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ccc(Cl)cc2C)C[C@H]1O	ZINC001199311856	974151257	/nfs/dbraw/zinc/15/12/57/974151257.db2.gz	CGJUQQQIRIQGJS-KBRIMQKVSA-N	1	0	352.862	1.901	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1	ZINC000645280025	1014184267	/nfs/dbraw/zinc/18/42/67/1014184267.db2.gz	JHVJOLVZLIQXSX-GOSISDBHSA-N	1	0	359.470	1.735	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3ccnn3)c2)C1	ZINC001199465736	974278634	/nfs/dbraw/zinc/27/86/34/974278634.db2.gz	BJDVQEGOVPGMMB-ZTFGCOKTSA-N	1	0	355.442	1.397	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3ccnn3)c2)C1	ZINC001199468116	974280973	/nfs/dbraw/zinc/28/09/73/974280973.db2.gz	ZZKNNSDAABJPSV-RTBURBONSA-N	1	0	369.469	1.789	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1CNc1cnn(CC(=O)NCC[NH+](C)C)c1	ZINC000865520090	974336617	/nfs/dbraw/zinc/33/66/17/974336617.db2.gz	XRXJMEXZIHQXJL-UHFFFAOYSA-N	1	0	369.473	1.111	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F	ZINC000865566976	974364348	/nfs/dbraw/zinc/36/43/48/974364348.db2.gz	WUCOODGJOCWIPC-MRXNPFEDSA-N	1	0	356.392	1.977	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(F)c(C#N)cc2[N+](=O)[O-])CC1	ZINC000865618954	974387888	/nfs/dbraw/zinc/38/78/88/974387888.db2.gz	LUMCLCDZNIORCN-CQSZACIVSA-N	1	0	361.377	1.348	20	30		FDEDRO
CCOC(=O)[C@H](C)NC(=S)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC001199852057	974537246	/nfs/dbraw/zinc/53/72/46/974537246.db2.gz	MOSNFWUSBZVBNI-AWEZNQCLSA-N	1	0	374.510	1.938	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc2c(c1)nnn2C	ZINC001110546132	974636422	/nfs/dbraw/zinc/63/64/22/974636422.db2.gz	NLAQQAVHUWDTNF-ZIGSKRJUSA-N	1	0	367.453	1.228	20	30		FDEDRO
C[C@H]1CN(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C[C@H](C)N1CC#N	ZINC000866049289	974641801	/nfs/dbraw/zinc/64/18/01/974641801.db2.gz	NILQQDLXRYCSMB-IRXDYDNUSA-N	1	0	370.501	1.888	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc2nonc2c1	ZINC001110551199	974734752	/nfs/dbraw/zinc/73/47/52/974734752.db2.gz	SIAMSNRTZIZQGC-OLMNPRSZSA-N	1	0	354.410	1.484	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOc1ccc(OC)cc1	ZINC001110552251	974755764	/nfs/dbraw/zinc/75/57/64/974755764.db2.gz	SDNJNSPAGKBUAE-FIYPYCPBSA-N	1	0	372.465	1.834	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCOC(C)C)C1	ZINC001200528236	974807546	/nfs/dbraw/zinc/80/75/46/974807546.db2.gz	IEBYYEOUPPQXII-KSZLIROESA-N	1	0	354.491	1.600	20	30		FDEDRO
C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)CCCO1	ZINC001200529708	974810200	/nfs/dbraw/zinc/81/02/00/974810200.db2.gz	XPOGZXFOTSDXKR-FGTMMUONSA-N	1	0	358.486	1.547	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCCO[C@H]2C(C)C)CC1	ZINC001200636181	974852823	/nfs/dbraw/zinc/85/28/23/974852823.db2.gz	GJVQDWBSJVYINK-NJAFHUGGSA-N	1	0	363.502	1.156	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCS(=O)(=O)NC)C2	ZINC001110557490	974920097	/nfs/dbraw/zinc/92/00/97/974920097.db2.gz	RYARSAJEIOQHFH-OAGGEKHMSA-N	1	0	357.520	1.394	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCC(F)(F)F)C1	ZINC001201437272	975060492	/nfs/dbraw/zinc/06/04/92/975060492.db2.gz	ABTPZJMIZARAAH-MJBXVCDLSA-N	1	0	350.381	1.737	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC[N@@H+]1C	ZINC000867395940	975071109	/nfs/dbraw/zinc/07/11/09/975071109.db2.gz	UCSOGHRZXAWNRU-BYNSBNAKSA-N	1	0	350.463	1.592	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CCOC(C)C)C1	ZINC001201622204	975100733	/nfs/dbraw/zinc/10/07/33/975100733.db2.gz	TVIOMJKNPJXCPH-SQNIBIBYSA-N	1	0	354.491	1.600	20	30		FDEDRO
N#CCc1ccc(S(=O)(=O)NCCCC[N@H+]2CCC[C@H]2CO)cc1	ZINC000161744817	975170764	/nfs/dbraw/zinc/17/07/64/975170764.db2.gz	ISVFGRLTTWPGOZ-INIZCTEOSA-N	1	0	351.472	1.268	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1cccc2nonc21)C(C)C	ZINC000847478378	975698657	/nfs/dbraw/zinc/69/86/57/975698657.db2.gz	XKPORANAQOHUPX-INIZCTEOSA-N	1	0	371.441	1.976	20	30		FDEDRO
C#C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)C1	ZINC000847560963	975827189	/nfs/dbraw/zinc/82/71/89/975827189.db2.gz	ODVIBNVMOWDBOK-INIZCTEOSA-N	1	0	357.454	1.746	20	30		FDEDRO
C#C[C@@H]1CCCN(C(=O)C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)C1	ZINC000847562324	975830585	/nfs/dbraw/zinc/83/05/85/975830585.db2.gz	JECVBKYIFHYBKK-PBHICJAKSA-N	1	0	355.438	1.882	20	30		FDEDRO
C#C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)C1	ZINC000847564314	975834962	/nfs/dbraw/zinc/83/49/62/975834962.db2.gz	WIWFTVNTLXDLLO-MRXNPFEDSA-N	1	0	357.454	1.746	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1	ZINC000866668601	975891133	/nfs/dbraw/zinc/89/11/33/975891133.db2.gz	SPAOQYBFBFNDJY-MOPGFXCFSA-N	1	0	357.454	1.863	20	30		FDEDRO
C[NH+](C)CCOCCNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000847669058	975957001	/nfs/dbraw/zinc/95/70/01/975957001.db2.gz	BTZCXDLXMVGCAJ-UHFFFAOYSA-N	1	0	367.490	1.331	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)c1cc(F)cc(C#N)c1	ZINC000866748008	975989599	/nfs/dbraw/zinc/98/95/99/975989599.db2.gz	BOMFPUDYAJDWAJ-UHFFFAOYSA-N	1	0	362.430	1.845	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)OC3CC[NH+](CCOC)CC3)cc2C1=O	ZINC000847881387	976113066	/nfs/dbraw/zinc/11/30/66/976113066.db2.gz	JPWNMYLGKUOPGJ-UHFFFAOYSA-N	1	0	372.421	1.736	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cc1Br	ZINC000866824682	976114845	/nfs/dbraw/zinc/11/48/45/976114845.db2.gz	NSEZMZIPXMWYCQ-UONOGXRCSA-N	1	0	370.272	1.836	20	30		FDEDRO
C=CCN(C(=O)[C@@H](O)c1cnc[nH]1)[C@@H](Cc1ccccc1)C(=O)OCC	ZINC000867638541	976552515	/nfs/dbraw/zinc/55/25/15/976552515.db2.gz	VAHGTFXUMFNZBG-IRXDYDNUSA-N	1	0	357.410	1.632	20	30		FDEDRO
C#CCCN(CCOC)C(=O)C(=O)NCCC1CC[NH+](C(C)C)CC1	ZINC000867639672	976554207	/nfs/dbraw/zinc/55/42/07/976554207.db2.gz	AXFMRZPVOSMBAB-UHFFFAOYSA-N	1	0	351.491	1.111	20	30		FDEDRO
C#CCCN(CCOC)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1	ZINC000867640895	976557601	/nfs/dbraw/zinc/55/76/01/976557601.db2.gz	PPLNLURTPMTSCE-SFHVURJKSA-N	1	0	363.502	1.398	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NCC1(c2ccccc2)CC[NH+](C)CC1	ZINC000867706006	976688482	/nfs/dbraw/zinc/68/84/82/976688482.db2.gz	OXCKRGYGQGURRM-INIZCTEOSA-N	1	0	364.515	1.718	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCNc2cc[nH+]cc2)CC1	ZINC000848370464	976698366	/nfs/dbraw/zinc/69/83/66/976698366.db2.gz	BVKCIJVZHMYMAZ-UHFFFAOYSA-N	1	0	372.469	1.682	20	30		FDEDRO
C[NH2+][C@@H](C)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1	ZINC000848397695	976717686	/nfs/dbraw/zinc/71/76/86/976717686.db2.gz	JPORQLMWAJPALT-GJEKEPIOSA-N	1	0	366.487	1.826	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2	ZINC000848402261	976719759	/nfs/dbraw/zinc/71/97/59/976719759.db2.gz	ZKCKJDMXSIOACZ-UONOGXRCSA-N	1	0	367.833	1.672	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000867805416	976901124	/nfs/dbraw/zinc/90/11/24/976901124.db2.gz	BFSJZWRKXNQWNJ-UHFFFAOYSA-N	1	0	364.534	1.333	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)NC(C)(C)C1=O	ZINC001110605952	976963020	/nfs/dbraw/zinc/96/30/20/976963020.db2.gz	PGYCLWVNZSEAAT-KFWWJZLASA-N	1	0	362.474	1.395	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N[C@H]1CCN(c2ncccc2F)C1	ZINC000867959166	977143530	/nfs/dbraw/zinc/14/35/30/977143530.db2.gz	QSFALTLWHZZDCX-MAUKXSAKSA-N	1	0	365.412	1.674	20	30		FDEDRO
C[C@@H](CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)N1C[C@@H](C)O[C@@H](C)C1	ZINC000867984366	977168909	/nfs/dbraw/zinc/16/89/09/977168909.db2.gz	WCNYKAXWVLJUQV-XTDOFWJNSA-N	1	0	356.470	1.359	20	30		FDEDRO
C[C@H](CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)N1C[C@@H](C)O[C@@H](C)C1	ZINC000867984365	977169041	/nfs/dbraw/zinc/16/90/41/977169041.db2.gz	WCNYKAXWVLJUQV-CUYVQJCZSA-N	1	0	356.470	1.359	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@H]1CC2(CO1)CCOCC2	ZINC000867993463	977177007	/nfs/dbraw/zinc/17/70/07/977177007.db2.gz	UEALUBRTFSRXQU-AEFFLSMTSA-N	1	0	355.438	1.447	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@H](O)c1cc(F)cc(Cl)c1	ZINC000849109550	977319775	/nfs/dbraw/zinc/31/97/75/977319775.db2.gz	YCUJQPLFBFPMKR-HNNXBMFYSA-N	1	0	358.845	1.010	20	30		FDEDRO
C[NH+]=C(NC[C@@H](CO)Cc1cc(Br)ccc1OC)NC1CC1	ZINC000849110406	977320938	/nfs/dbraw/zinc/32/09/38/977320938.db2.gz	WIOKAJMLCJVLMY-NSHDSACASA-N	1	0	370.291	1.936	20	30		FDEDRO
CN(C)C(NCc1ccccc1)=[NH+]CC1(N2CCOCC2)CCOCC1	ZINC000849116878	977329587	/nfs/dbraw/zinc/32/95/87/977329587.db2.gz	ZOHQQOJFSTVKIC-UHFFFAOYSA-N	1	0	360.502	1.575	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1	ZINC000868267846	977421934	/nfs/dbraw/zinc/42/19/34/977421934.db2.gz	QJAQSCMXPOHXHM-AWEZNQCLSA-N	1	0	361.417	1.671	20	30		FDEDRO
C[C@H](CNC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1)C[NH+]1CCN(C)CC1	ZINC000868357917	977527163	/nfs/dbraw/zinc/52/71/63/977527163.db2.gz	JWHSPQJBFNWDTK-DNVCBOLYSA-N	1	0	355.486	1.208	20	30		FDEDRO
C[C@@H](CNC(=O)N(C)CCc1cccc(C#N)c1)C[NH+]1CCN(C)CC1	ZINC000868359841	977532846	/nfs/dbraw/zinc/53/28/46/977532846.db2.gz	ZJPMJKCVHZKPSD-KRWDZBQOSA-N	1	0	357.502	1.626	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1	ZINC000849495714	977689627	/nfs/dbraw/zinc/68/96/27/977689627.db2.gz	FATRQMPLABTPQW-OALUTQOASA-N	1	0	351.454	1.986	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn3c1cccc3OC)C2	ZINC001110612763	977718409	/nfs/dbraw/zinc/71/84/09/977718409.db2.gz	QSTBRSSBSBABBI-KYJSFNMBSA-N	1	0	370.453	1.881	20	30		FDEDRO
C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@H]1Cc2ccc(C#N)cc2C1	ZINC000868509985	977725289	/nfs/dbraw/zinc/72/52/89/977725289.db2.gz	IGRFSSQCESODLP-KXBFYZLASA-N	1	0	355.486	1.351	20	30		FDEDRO
C=CCn1cc(CNC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)nn1	ZINC000849606385	977837635	/nfs/dbraw/zinc/83/76/35/977837635.db2.gz	OSUOLELSFNFPMR-ROUUACIJSA-N	1	0	371.489	1.328	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NCC[N@@H+]3CCCOCC3)CC2)cc1	ZINC000868646992	977864319	/nfs/dbraw/zinc/86/43/19/977864319.db2.gz	BEJUNVFKJINDPH-UHFFFAOYSA-N	1	0	357.458	1.112	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H]1CN(Cc2ccc(C)cc2)CCO1	ZINC000868672026	977888886	/nfs/dbraw/zinc/88/88/86/977888886.db2.gz	FLAFOQYPPVZHEN-QRVBRYPASA-N	1	0	359.470	1.839	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C)C1CCOCC1	ZINC000850687669	978611114	/nfs/dbraw/zinc/61/11/14/978611114.db2.gz	DTZBBSRRMZRGRQ-QGZVFWFLSA-N	1	0	357.454	1.540	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)cc1	ZINC000850729008	978652264	/nfs/dbraw/zinc/65/22/64/978652264.db2.gz	JHRVXICCYPWYHP-GOSISDBHSA-N	1	0	373.453	1.206	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(N(CC)C(=O)[C@H]2CC[N@H+](C)C2)C1	ZINC000967979784	1014519570	/nfs/dbraw/zinc/51/95/70/1014519570.db2.gz	RKKXFKGFELGTHH-SZMVWBNQSA-N	1	0	363.502	1.369	20	30		FDEDRO
CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCN(c2ncccc2C#N)CC1	ZINC000851714540	979011521	/nfs/dbraw/zinc/01/15/21/979011521.db2.gz	SHDMGXWDBDDIAL-OAHLLOKOSA-N	1	0	368.374	1.660	20	30		FDEDRO
C#CCC1(O)CC[NH+](CC(=O)N2CCN(c3cccc(C)c3)CC2)CC1	ZINC000880478075	979219176	/nfs/dbraw/zinc/21/91/76/979219176.db2.gz	SBVQWQVFNHBFHK-UHFFFAOYSA-N	1	0	355.482	1.494	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]3CCNC(=O)[C@@H]32)c(OC)c1	ZINC000880530620	979278096	/nfs/dbraw/zinc/27/80/96/979278096.db2.gz	HMUYNARWPNFPGJ-SQGPQFPESA-N	1	0	374.481	1.764	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)CC1	ZINC000880656870	979375912	/nfs/dbraw/zinc/37/59/12/979375912.db2.gz	BTKNMGOKJIISIX-FQEVSTJZSA-N	1	0	369.513	1.623	20	30		FDEDRO
N#Cc1cc(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(F)cc1F	ZINC000880710630	979403482	/nfs/dbraw/zinc/40/34/82/979403482.db2.gz	RXBWUONXFWTEHT-ZDUSSCGKSA-N	1	0	350.369	1.899	20	30		FDEDRO
C[N@@H+]1CC[C@](O)(CNC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)C1	ZINC000880930996	979532317	/nfs/dbraw/zinc/53/23/17/979532317.db2.gz	ZWQISQWVOFCDFP-HIFRSBDPSA-N	1	0	356.348	1.527	20	30		FDEDRO
N#CCOc1ccc(Cl)cc1Cn1cc(CN2CCC[C@H]2CO)nn1	ZINC000881303042	979821295	/nfs/dbraw/zinc/82/12/95/979821295.db2.gz	QEXIVQFFELBSTE-INIZCTEOSA-N	1	0	361.833	1.839	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)cc1	ZINC000881472242	979966233	/nfs/dbraw/zinc/96/62/33/979966233.db2.gz	NKBFXBHPINAKSR-SFHVURJKSA-N	1	0	370.453	1.048	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc1	ZINC000881472241	979966323	/nfs/dbraw/zinc/96/63/23/979966323.db2.gz	NKBFXBHPINAKSR-GOSISDBHSA-N	1	0	370.453	1.048	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1	ZINC000881622852	980018115	/nfs/dbraw/zinc/01/81/15/980018115.db2.gz	QXUQJAVFHPWLAO-UHFFFAOYSA-N	1	0	369.465	1.645	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)N=[S@@](C)(=O)N(C)C)C(C)C	ZINC000882100841	980423393	/nfs/dbraw/zinc/42/33/93/980423393.db2.gz	MDPHGAAQDVLMDE-RCDICMHDSA-N	1	0	366.553	1.094	20	30		FDEDRO
C[C@H](C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)n1cnc(C#N)n1	ZINC000882398009	980621089	/nfs/dbraw/zinc/62/10/89/980621089.db2.gz	SIQPJULAMXNCRG-PBHICJAKSA-N	1	0	365.441	1.634	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cccc(CC#N)n2)CC1=O	ZINC000882475163	980660801	/nfs/dbraw/zinc/66/08/01/980660801.db2.gz	GYQUBNJUCIWRQL-HOCLYGCPSA-N	1	0	355.442	1.419	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNS(=O)(=O)CCCCC#N)cc2)CC1	ZINC000882664516	980805011	/nfs/dbraw/zinc/80/50/11/980805011.db2.gz	WQJWXJNZPQGIOW-UHFFFAOYSA-N	1	0	350.488	1.552	20	30		FDEDRO
CN(CCCC[NH+]1CCCCC1)c1cccc(S(N)(=O)=O)c1C#N	ZINC000882986859	981864014	/nfs/dbraw/zinc/86/40/14/981864014.db2.gz	LMJNYVGRKFIXLG-UHFFFAOYSA-N	1	0	350.488	1.908	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1	ZINC000858151101	981866068	/nfs/dbraw/zinc/86/60/68/981866068.db2.gz	SVPATYJLVASHOC-HXUWFJFHSA-N	1	0	372.513	1.662	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1	ZINC000858151168	981866182	/nfs/dbraw/zinc/86/61/82/981866182.db2.gz	WFPMQQRBXSGHGB-IBGZPJMESA-N	1	0	358.486	1.272	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@H]2CN(C(C)=O)C[C@H]2C1)C(C)C	ZINC000883130827	981969078	/nfs/dbraw/zinc/96/90/78/981969078.db2.gz	UBNXYQPYGNIECY-CEXWTWQISA-N	1	0	362.518	1.805	20	30		FDEDRO
C#CCOc1ccc(Br)cc1C[NH2+]CCN1CC[C@@H](O)C1	ZINC000858297727	981970298	/nfs/dbraw/zinc/97/02/98/981970298.db2.gz	GNCAFZGLBROFIH-OAHLLOKOSA-N	1	0	353.260	1.617	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1	ZINC000883249069	982031421	/nfs/dbraw/zinc/03/14/21/982031421.db2.gz	ROADQIUXUGAVPG-UHFFFAOYSA-N	1	0	362.518	1.105	20	30		FDEDRO
CC(C)(C)NS(=O)(=O)C1(C[NH2+]Cc2cnc3ccc(C#N)cn23)CC1	ZINC000883291572	982048667	/nfs/dbraw/zinc/04/86/67/982048667.db2.gz	KHXOBERLCRHPNZ-UHFFFAOYSA-N	1	0	361.471	1.546	20	30		FDEDRO
C=C(C)C[C@H](CO)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)OCC	ZINC000883391397	982110072	/nfs/dbraw/zinc/11/00/72/982110072.db2.gz	JCUJWKYWZNFGAG-ILXRZTDVSA-N	1	0	356.463	1.844	20	30		FDEDRO
CC[NH+]=C(NCC1(C2CC2)CCC1)N1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000132845074	982473849	/nfs/dbraw/zinc/47/38/49/982473849.db2.gz	BHFXAPHBMUWJJX-KRWDZBQOSA-N	1	0	362.518	1.855	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(OC[C@H]2CCCO2)CC1	ZINC000859158551	982584071	/nfs/dbraw/zinc/58/40/71/982584071.db2.gz	GFTPNVFOAFKASN-PKOBYXMFSA-N	1	0	360.454	1.958	20	30		FDEDRO
C#CCN(CCC1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1	ZINC000859188067	982607347	/nfs/dbraw/zinc/60/73/47/982607347.db2.gz	AUEHVNKWEXFZPW-OAHLLOKOSA-N	1	0	356.488	1.366	20	30		FDEDRO
CNC(=O)OC[C@H]1CCCCN1CC#CCN1C(=O)c2ccccc2C1=O	ZINC000859305846	982698457	/nfs/dbraw/zinc/69/84/57/982698457.db2.gz	QIXPKKACJFLSGP-OAHLLOKOSA-N	1	0	369.421	1.497	20	30		FDEDRO
CCCCCCCNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1	ZINC000859331820	982718666	/nfs/dbraw/zinc/71/86/66/982718666.db2.gz	OCOQWTTYIYYCJY-UHFFFAOYSA-N	1	0	353.507	1.644	20	30		FDEDRO
CCN(C[C@H]1COc2ccccc2O1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884053866	982772355	/nfs/dbraw/zinc/77/23/55/982772355.db2.gz	JJBVLCFGJHMZLP-SIRSKZSMSA-N	1	0	355.438	1.814	20	30		FDEDRO
CCCNC(=O)c1cccc(CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c1	ZINC000884078250	982832961	/nfs/dbraw/zinc/83/29/61/982832961.db2.gz	JXBBVDPIJDLCAU-GNZRSQJKSA-N	1	0	354.454	1.582	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1cccc(N3CCCC3=O)c1)C2	ZINC000884082380	982838395	/nfs/dbraw/zinc/83/83/95/982838395.db2.gz	DVUNUYZMMHTBIK-NGEICVOHSA-N	1	0	352.438	1.569	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCC(=O)N1CCCc3ccccc31)C2	ZINC000884100856	982865670	/nfs/dbraw/zinc/86/56/70/982865670.db2.gz	HJEIVZIQAYWAGN-NGEICVOHSA-N	1	0	352.438	1.221	20	30		FDEDRO
COC(=O)[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccc(C)cc1	ZINC000884130580	982913306	/nfs/dbraw/zinc/91/33/06/982913306.db2.gz	NYFVBHFKKXIZTK-RXCRORICSA-N	1	0	355.438	1.507	20	30		FDEDRO
CCc1ccc2c(c1)[C@H](CCNC(=O)C1CC3(C1)C[NH2+]C[C@H]3C#N)C(=O)N2	ZINC000884132304	982915382	/nfs/dbraw/zinc/91/53/82/982915382.db2.gz	MBQQDVKXHYDYHQ-WZHMAMEKSA-N	1	0	366.465	1.930	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1	ZINC000884138111	982920799	/nfs/dbraw/zinc/92/07/99/982920799.db2.gz	FGPODRVWYSUBLH-UHFFFAOYSA-N	1	0	366.506	1.042	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@@H](O)c1c(F)cccc1Cl)C2	ZINC000884151735	982930573	/nfs/dbraw/zinc/93/05/73/982930573.db2.gz	SRPGCECWCQFOOA-RGBKTGAOSA-N	1	0	351.809	1.768	20	30		FDEDRO
C[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1cn(-c2ccccc2)nn1	ZINC000884174261	982947054	/nfs/dbraw/zinc/94/70/54/982947054.db2.gz	MOANJIZJZUYVIY-XNDRKVBMSA-N	1	0	350.426	1.584	20	30		FDEDRO
CCOc1ccccc1N1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1	ZINC000884176189	982948343	/nfs/dbraw/zinc/94/83/43/982948343.db2.gz	ZADSLUYNUJSIKK-BATSVXPKSA-N	1	0	368.481	1.873	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@H]1CN(Cc3ccccc3)CCO1)C2	ZINC000884177938	982949963	/nfs/dbraw/zinc/94/99/63/982949963.db2.gz	XNSCUUPZERFNSM-LSNYBQGISA-N	1	0	368.481	1.143	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1	ZINC000331931658	982961101	/nfs/dbraw/zinc/96/11/01/982961101.db2.gz	VSAVTCJVLCECMC-RTBURBONSA-N	1	0	368.481	1.839	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NC1CC[NH+](CCc2ccccc2)CC1	ZINC000884186150	982962287	/nfs/dbraw/zinc/96/22/87/982962287.db2.gz	RLDITLPGGOYYII-SFHVURJKSA-N	1	0	359.470	1.256	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1	ZINC000884189270	982965564	/nfs/dbraw/zinc/96/55/64/982965564.db2.gz	AVIGKSUBAZOWKY-ZWKOTPCHSA-N	1	0	359.470	1.776	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1ccc(CCN3CCOCC3)cc1)C2	ZINC000884197976	982973668	/nfs/dbraw/zinc/97/36/68/982973668.db2.gz	KHBVJAOOCOOKLM-WBTXTPOCSA-N	1	0	368.481	1.639	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1	ZINC000884205292	982980592	/nfs/dbraw/zinc/98/05/92/982980592.db2.gz	RNMKXPZUUBZYEO-ZACQAIPSSA-N	1	0	351.491	1.546	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C	ZINC000884223370	982997138	/nfs/dbraw/zinc/99/71/38/982997138.db2.gz	OYKFPPJDRHILDW-NUJGCVRESA-N	1	0	373.497	1.706	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1	ZINC000884223986	982998002	/nfs/dbraw/zinc/99/80/02/982998002.db2.gz	DLIBECKWZONALR-INIZCTEOSA-N	1	0	358.442	1.588	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1	ZINC000884226111	982999133	/nfs/dbraw/zinc/99/91/33/982999133.db2.gz	KZOGXWOXBIRPDG-JKIFEVAISA-N	1	0	365.499	1.694	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCCC1CCN(CC(F)(F)F)CC1)C2	ZINC000884231756	983005847	/nfs/dbraw/zinc/00/58/47/983005847.db2.gz	ZGHHLGNWDGXWDL-CKDBGZEDSA-N	1	0	372.435	1.906	20	30		FDEDRO
C=CC[C@H]1N(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CCCC1(C)C	ZINC000332255345	983025507	/nfs/dbraw/zinc/02/55/07/983025507.db2.gz	BAXFLEGOAPVCPU-DLBZAZTESA-N	1	0	362.518	1.086	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NCc2cn(C)nc2-c2ccccc2)C1	ZINC000884262271	983037086	/nfs/dbraw/zinc/03/70/86/983037086.db2.gz	GCJKKSQACAGSPM-GOSISDBHSA-N	1	0	351.454	1.984	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CCC[NH+]1CCC2	ZINC001006383766	983045147	/nfs/dbraw/zinc/04/51/47/983045147.db2.gz	HLOXZUHJJISEGY-DZVNLGKHSA-N	1	0	373.497	1.454	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1	ZINC000884325107	983086337	/nfs/dbraw/zinc/08/63/37/983086337.db2.gz	IWTCDWIXEMKRSI-YOEHRIQHSA-N	1	0	360.458	1.170	20	30		FDEDRO
CCOC(=O)[C@@](C)(CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccccc1	ZINC000884333904	983093541	/nfs/dbraw/zinc/09/35/41/983093541.db2.gz	BKEIJFXRYILFJD-XMAFXUAQSA-N	1	0	369.465	1.763	20	30		FDEDRO
COc1cc(N2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CC2)ccc1F	ZINC000884335683	983094913	/nfs/dbraw/zinc/09/49/13/983094913.db2.gz	ZYTZBVLIWBAFEH-CHWWFWEZSA-N	1	0	372.444	1.622	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)c1ccc(C#N)cc1	ZINC000884541371	983233075	/nfs/dbraw/zinc/23/30/75/983233075.db2.gz	CDKFLOKPDHJRDK-YWZLYKJASA-N	1	0	354.454	1.728	20	30		FDEDRO
CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C1	ZINC000861341970	983693203	/nfs/dbraw/zinc/69/32/03/983693203.db2.gz	TYSIHMOYZRFDBF-LIRRHRJNSA-N	1	0	361.442	1.861	20	30		FDEDRO
C#CC[C@H]1CCN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1	ZINC000888512678	983801705	/nfs/dbraw/zinc/80/17/05/983801705.db2.gz	HFCFMXWGTDBFTE-KRWDZBQOSA-N	1	0	362.518	1.668	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)c(F)cc1C#N	ZINC000861711527	983850795	/nfs/dbraw/zinc/85/07/95/983850795.db2.gz	UDATVFFWFBTTLN-GFCCVEGCSA-N	1	0	362.405	1.635	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCC[N@H+](C)C1	ZINC000862030969	984065366	/nfs/dbraw/zinc/06/53/66/984065366.db2.gz	BYBMHODOYAWQGF-GJZGRUSLSA-N	1	0	358.442	1.764	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(n3cc(C(N)=O)nn3)CC2)cc1	ZINC000862483363	984399191	/nfs/dbraw/zinc/39/91/91/984399191.db2.gz	LCADUNZRWDDDII-ZDUSSCGKSA-N	1	0	354.414	1.505	20	30		FDEDRO
CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1	ZINC000862551243	984410317	/nfs/dbraw/zinc/41/03/17/984410317.db2.gz	KLDOWPBXBRRCHP-QGZVFWFLSA-N	1	0	364.515	1.798	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)cc1	ZINC000884730621	984736744	/nfs/dbraw/zinc/73/67/44/984736744.db2.gz	LNIVCIUTHLLLLZ-LJQANCHMSA-N	1	0	362.433	1.200	20	30		FDEDRO
C[NH+](C)CCn1cc(C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)cn1	ZINC000869234172	984962492	/nfs/dbraw/zinc/96/24/92/984962492.db2.gz	OYGYAIJNYKSQJN-IBGZPJMESA-N	1	0	352.442	1.537	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)C(=O)C#Cc1ccc2c(c1)OCO2	ZINC000869764357	985311154	/nfs/dbraw/zinc/31/11/54/985311154.db2.gz	MHHHRIDMJOGZCZ-UHFFFAOYSA-N	1	0	358.438	1.584	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](OC(C)C)C2)CC1	ZINC000653392999	1015119180	/nfs/dbraw/zinc/11/91/80/1015119180.db2.gz	PVUYUOUBUDDJKF-QGZVFWFLSA-N	1	0	351.491	1.559	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+](C)C1CCC1	ZINC001006388003	985528553	/nfs/dbraw/zinc/52/85/53/985528553.db2.gz	GBWMGJAFSFWQLG-DZVNLGKHSA-N	1	0	361.486	1.310	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C	ZINC000885847133	985695066	/nfs/dbraw/zinc/69/50/66/985695066.db2.gz	DIEXNFQIFORNTN-CQSZACIVSA-N	1	0	372.450	1.861	20	30		FDEDRO
CC(C)(C)OC(=O)NC[C@@H]1CN(C[C@H](O)CC2(C#N)CCC2)CCO1	ZINC000886142860	985926251	/nfs/dbraw/zinc/92/62/51/985926251.db2.gz	MQSDHVDLBAPJFW-HUUCEWRRSA-N	1	0	353.463	1.657	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)CCC1	ZINC000886190571	985951819	/nfs/dbraw/zinc/95/18/19/985951819.db2.gz	WGHAPXACXUMILB-OAHLLOKOSA-N	1	0	355.504	1.321	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)CCC1	ZINC000886208110	985971602	/nfs/dbraw/zinc/97/16/02/985971602.db2.gz	WDNKYIQBANNACY-HUUCEWRRSA-N	1	0	355.504	1.225	20	30		FDEDRO
C[NH+](C)[C@H](CC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccccc1	ZINC000886208561	985973258	/nfs/dbraw/zinc/97/32/58/985973258.db2.gz	NKHQEXWRHVEELL-JFIYKMOQSA-N	1	0	361.467	1.076	20	30		FDEDRO
C#CCOc1ccc(Br)cc1C[NH2+]CCN1CCNC1=O	ZINC000886324553	986070799	/nfs/dbraw/zinc/07/07/99/986070799.db2.gz	XWQSNBOBGKEHRL-UHFFFAOYSA-N	1	0	352.232	1.576	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](O)Cc2ccccc2)c[nH]1	ZINC001095337355	986082661	/nfs/dbraw/zinc/08/26/61/986082661.db2.gz	RAIJANIIHWTDOX-ZRNYENFQSA-N	1	0	364.449	1.825	20	30		FDEDRO
C#CC[N@@H+](CCCS(=O)(=O)NC)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886427604	986205384	/nfs/dbraw/zinc/20/53/84/986205384.db2.gz	QQHIUDOLIHGBMJ-UHFFFAOYSA-N	1	0	373.519	1.260	20	30		FDEDRO
C#CCN(C(=O)CCCCn1cnc2c1ncnc2N)C1CC[NH+](C)CC1	ZINC000886573773	986373801	/nfs/dbraw/zinc/37/38/01/986373801.db2.gz	VZMRODCVGSENNE-UHFFFAOYSA-N	1	0	369.473	1.135	20	30		FDEDRO
C#CCN(C(=O)[C@@]1(F)CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1	ZINC000886579783	986381647	/nfs/dbraw/zinc/38/16/47/986381647.db2.gz	HXCJXTYESHRXPC-LJQANCHMSA-N	1	0	367.465	1.892	20	30		FDEDRO
C#CCN(C(=O)COc1ccc([N+](=O)[O-])c(OC)c1)C1CC[NH+](C)CC1	ZINC000886582366	986386097	/nfs/dbraw/zinc/38/60/97/986386097.db2.gz	RXTFCTGMRTYYEH-UHFFFAOYSA-N	1	0	361.398	1.538	20	30		FDEDRO
C#CCN(C(=O)CCc1c(C)nc(SC)[nH]c1=O)C1CC[NH+](C)CC1	ZINC000886584977	986388960	/nfs/dbraw/zinc/38/89/60/986388960.db2.gz	BANLTJOHTBBEJK-UHFFFAOYSA-N	1	0	362.499	1.701	20	30		FDEDRO
C#CCN1CCC[C@H]([NH2+][C@H](C)c2cccc(N3CCCS3(=O)=O)c2)C1	ZINC000886660891	986465410	/nfs/dbraw/zinc/46/54/10/986465410.db2.gz	IDLURQQYODTMTE-AEFFLSMTSA-N	1	0	361.511	1.975	20	30		FDEDRO
C=CCC1(O)CC[NH+](C[C@H](O)COCc2ccc(OC)c(OC)c2)CC1	ZINC000886755203	986555113	/nfs/dbraw/zinc/55/51/13/986555113.db2.gz	BCBWTNLGCVTOLB-KRWDZBQOSA-N	1	0	365.470	1.984	20	30		FDEDRO
CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)C1(C)C	ZINC000870981715	986558577	/nfs/dbraw/zinc/55/85/77/986558577.db2.gz	QKTSJOURVPIKNL-XLIONFOSSA-N	1	0	356.470	1.739	20	30		FDEDRO
C=CCC1(O)CCN(CC2(C[NH+]3CCC(O)(CC=C)CC3)COC2)CC1	ZINC000886776986	986579371	/nfs/dbraw/zinc/57/93/71/986579371.db2.gz	VEEXGDRBFIOBEZ-UHFFFAOYSA-N	1	0	364.530	1.809	20	30		FDEDRO
C=CCn1c(-c2cc[nH]n2)nnc1N(CCOC)CC1CC[NH+](C)CC1	ZINC000871051399	986618867	/nfs/dbraw/zinc/61/88/67/986618867.db2.gz	VKNXTXYCAJQIFQ-UHFFFAOYSA-N	1	0	359.478	1.649	20	30		FDEDRO
C=CCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1	ZINC000871053816	986621120	/nfs/dbraw/zinc/62/11/20/986621120.db2.gz	JHXVCQDWPXTORO-HOCLYGCPSA-N	1	0	360.506	1.913	20	30		FDEDRO
C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]2[C@@H](CC[N@H+]2C)C1	ZINC000871089015	986661869	/nfs/dbraw/zinc/66/18/69/986661869.db2.gz	KJIVLVFQAGSVOS-HOTGVXAUSA-N	1	0	358.490	1.621	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(Cc2nc([C@@H]3CCC[NH2+]C3)no2)s1	ZINC000871789004	987242255	/nfs/dbraw/zinc/24/22/55/987242255.db2.gz	FZMVBBDOGVFHFZ-LLVKDONJSA-N	1	0	368.484	1.653	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1	ZINC000871804495	987249373	/nfs/dbraw/zinc/24/93/73/987249373.db2.gz	CIYSZEVIQZDZRS-BBWFWOEESA-N	1	0	363.483	1.774	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1	ZINC000871804790	987249606	/nfs/dbraw/zinc/24/96/06/987249606.db2.gz	LHNREAHNSVXYOY-QGZVFWFLSA-N	1	0	358.467	1.911	20	30		FDEDRO
N#CCc1ccc(CS(=O)(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)cc1	ZINC000871809740	987255438	/nfs/dbraw/zinc/25/54/38/987255438.db2.gz	BJLPLQKABITARU-LJQANCHMSA-N	1	0	355.463	1.887	20	30		FDEDRO
C#CCNC(=O)CC[N@@H+]1CC2(CCOCC2)[C@H]1c1cnn(CC(C)C)c1	ZINC000871989071	987414574	/nfs/dbraw/zinc/41/45/74/987414574.db2.gz	XEMVNKAWGJYKNB-LJQANCHMSA-N	1	0	358.486	1.832	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1	ZINC000872188721	987492520	/nfs/dbraw/zinc/49/25/20/987492520.db2.gz	ZVMLMLSLJJMVIK-OXJNMPFZSA-N	1	0	357.454	1.278	20	30		FDEDRO
CON=Cc1ccc(C(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1	ZINC000872261620	987555930	/nfs/dbraw/zinc/55/59/30/987555930.db2.gz	SLDWTJNEEKIGSG-SJORKVTESA-N	1	0	372.425	1.064	20	30		FDEDRO
C[NH+]1CCC(CN=Nc2ccc(S(=O)(=O)N3CCCCC3)cn2)CC1	ZINC000872334972	987609441	/nfs/dbraw/zinc/60/94/41/987609441.db2.gz	FDGKBBMWLPLHLL-UHFFFAOYSA-N	1	0	365.503	1.996	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)N1CCC([N@@H+]2CCCOCC2)CC1	ZINC000872495469	987720098	/nfs/dbraw/zinc/72/00/98/987720098.db2.gz	PFCUYNOADHKDHH-UHFFFAOYSA-N	1	0	363.483	1.742	20	30		FDEDRO
C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)Nc2ccc(C#N)cn2)C1	ZINC000293214040	987991302	/nfs/dbraw/zinc/99/13/02/987991302.db2.gz	ZVOCUFMGEMAFEO-GJZGRUSLSA-N	1	0	357.458	1.766	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1	ZINC000293303279	988024472	/nfs/dbraw/zinc/02/44/72/988024472.db2.gz	HZWRMAYWTHDCJO-UHFFFAOYSA-N	1	0	370.375	1.937	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@@H](CNC(N)=O)C1)C(C)C	ZINC000299010490	988037232	/nfs/dbraw/zinc/03/72/32/988037232.db2.gz	LIFJZKVGPREQED-IRXDYDNUSA-N	1	0	365.522	1.775	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(OCC(F)(F)F)c1	ZINC000293378970	988054710	/nfs/dbraw/zinc/05/47/10/988054710.db2.gz	MRNFJXPTZYMBRF-UHFFFAOYSA-N	1	0	371.359	1.638	20	30		FDEDRO
C#C[C@H]1CC[C@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1	ZINC000872812628	988104654	/nfs/dbraw/zinc/10/46/54/988104654.db2.gz	FDSJOCIAPNPZPG-SAABIXHNSA-N	1	0	355.486	1.825	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1	ZINC000872867877	988205785	/nfs/dbraw/zinc/20/57/85/988205785.db2.gz	NQMRCPDDAGHAJL-UHFFFAOYSA-N	1	0	365.518	1.666	20	30		FDEDRO
O=C(C#Cc1ccc2c(c1)OCO2)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1	ZINC000361258276	988314237	/nfs/dbraw/zinc/31/42/37/988314237.db2.gz	OKACGCVEJNTLCN-DLBZAZTESA-N	1	0	356.422	1.384	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)n1	ZINC000366110868	988422784	/nfs/dbraw/zinc/42/27/84/988422784.db2.gz	WRDSONWFYFAZNQ-MJGOQNOKSA-N	1	0	373.501	1.549	20	30		FDEDRO
C=CCOc1ccc(CC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1	ZINC000294629809	988505689	/nfs/dbraw/zinc/50/56/89/988505689.db2.gz	SGKPAPOXWLIZGL-LJQANCHMSA-N	1	0	373.497	1.853	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H]3C(=O)NC(=O)[C@H]3C2)c1	ZINC000366308911	988610744	/nfs/dbraw/zinc/61/07/44/988610744.db2.gz	JCPOXOZBKUTDDB-SJORKVTESA-N	1	0	368.437	1.145	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCC[C@H]3OCC[C@H]32)CC1	ZINC000366452662	988703808	/nfs/dbraw/zinc/70/38/08/988703808.db2.gz	HXTKWTOCWWOZRD-BRWVUGGUSA-N	1	0	374.510	1.710	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(-n2cc(C)cn2)c(F)c1	ZINC000367634397	988957727	/nfs/dbraw/zinc/95/77/27/988957727.db2.gz	OSKLMWXXTCEMIC-ZDUSSCGKSA-N	1	0	359.405	1.982	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc(C(=O)OC)nn2)C1	ZINC000368358368	988991089	/nfs/dbraw/zinc/99/10/89/988991089.db2.gz	UBMLSCHZYPZDGQ-GJZGRUSLSA-N	1	0	361.446	1.291	20	30		FDEDRO
CCOC1CC2(C1)CC[N@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)C2	ZINC000368607410	989000326	/nfs/dbraw/zinc/00/03/26/989000326.db2.gz	HTCPBUGTJNZSLH-QPIRBTGLSA-N	1	0	362.518	1.570	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCN3CCOC[C@@H]3C2)c(OC)c1	ZINC000368813309	989008964	/nfs/dbraw/zinc/00/89/64/989008964.db2.gz	FJTBXXBTRNGESO-ZWKOTPCHSA-N	1	0	362.470	1.180	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1	ZINC000369081289	989023589	/nfs/dbraw/zinc/02/35/89/989023589.db2.gz	OHUIYAGCUAPOPP-UHFFFAOYSA-N	1	0	368.485	1.872	20	30		FDEDRO
N#CCCN(C(=O)CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccccc1	ZINC000369276592	989042068	/nfs/dbraw/zinc/04/20/68/989042068.db2.gz	BKLHUJQZMAITKJ-MOPGFXCFSA-N	1	0	356.470	1.464	20	30		FDEDRO
C#CCNC(=O)c1ccc(N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)nc1	ZINC000369329076	989045503	/nfs/dbraw/zinc/04/55/03/989045503.db2.gz	DZNGCBNCRRVLOV-ICSRJNTNSA-N	1	0	363.465	1.969	20	30		FDEDRO
Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC(n3cnc(C#N)n3)CC2)c1	ZINC000369731258	989129685	/nfs/dbraw/zinc/12/96/85/989129685.db2.gz	UFLIMXHREOAYJH-QGZVFWFLSA-N	1	0	355.442	1.843	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CCCCCC2)C1	ZINC000363383039	989148321	/nfs/dbraw/zinc/14/83/21/989148321.db2.gz	IEUDLAILGMLDCJ-HZPDHXFCSA-N	1	0	364.490	1.501	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CC1	ZINC000369758151	989149875	/nfs/dbraw/zinc/14/98/75/989149875.db2.gz	UEROHPLELOENHF-INIZCTEOSA-N	1	0	354.454	1.034	20	30		FDEDRO
C=CC[C@H](C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1	ZINC000369961178	989344740	/nfs/dbraw/zinc/34/47/40/989344740.db2.gz	JZMXCZAEJOASLB-PMACEKPBSA-N	1	0	357.498	1.869	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCN(c3ccccc3OC)C2=O)CC1	ZINC000363662128	989375223	/nfs/dbraw/zinc/37/52/23/989375223.db2.gz	SXIAAPNDALZCKV-QGZVFWFLSA-N	1	0	369.465	1.652	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1	ZINC000363682181	989392285	/nfs/dbraw/zinc/39/22/85/989392285.db2.gz	IZTWFGSUPATDIE-DOTOQJQBSA-N	1	0	359.426	1.169	20	30		FDEDRO
C[N@H+](CC(=O)N(CCC#N)CCC#N)C1CCN(c2cnccn2)CC1	ZINC000370039478	989407695	/nfs/dbraw/zinc/40/76/95/989407695.db2.gz	BLRAFCYUSCWJMC-UHFFFAOYSA-N	1	0	355.446	1.033	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N[C@H](Cc1nc(C)no1)c1ccccc1	ZINC000297029841	989462661	/nfs/dbraw/zinc/46/26/61/989462661.db2.gz	VURYTVKCOLCYPA-QGZVFWFLSA-N	1	0	355.442	1.916	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCN(C(=O)Cc2ccccc2)CC1	ZINC000297046211	989466976	/nfs/dbraw/zinc/46/69/76/989466976.db2.gz	WZEMUXCJARZENX-UHFFFAOYSA-N	1	0	356.470	1.038	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCCN(c2ncccc2C#N)CC1	ZINC000363969101	989467958	/nfs/dbraw/zinc/46/79/58/989467958.db2.gz	XTAVUJCYLCEWPL-QAPCUYQASA-N	1	0	368.485	1.658	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)[C@H]2C1	ZINC000364024460	989480045	/nfs/dbraw/zinc/48/00/45/989480045.db2.gz	ZAJRYXMPRBMXAF-BBRMVZONSA-N	1	0	351.414	1.697	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1	ZINC000297469417	989542493	/nfs/dbraw/zinc/54/24/93/989542493.db2.gz	ISJHOZNSQBTATG-UHFFFAOYSA-N	1	0	365.518	1.784	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NCC[NH+]2CCCCC2)s1	ZINC000874040921	989669103	/nfs/dbraw/zinc/66/91/03/989669103.db2.gz	VRRZDEQCLISQDD-UHFFFAOYSA-N	1	0	371.528	1.357	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CCN(CC[N@@H+]3CCCOCC3)CC2)cc1	ZINC000370380630	989702361	/nfs/dbraw/zinc/70/23/61/989702361.db2.gz	JTNIYKZOPSJKRY-UHFFFAOYSA-N	1	0	371.481	1.179	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)CC2)cc1	ZINC000874094382	989733428	/nfs/dbraw/zinc/73/34/28/989733428.db2.gz	CRKNHMISXGQDIA-UHFFFAOYSA-N	1	0	372.469	1.484	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1	ZINC000364735851	989750640	/nfs/dbraw/zinc/75/06/40/989750640.db2.gz	GJOXGRRCTZYAES-LJQANCHMSA-N	1	0	368.481	1.233	20	30		FDEDRO
C=CCN(C(=O)[C@@H]1CC[C@H](C(N)=O)O1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000370479055	989776873	/nfs/dbraw/zinc/77/68/73/989776873.db2.gz	YQYUUHDCFHMBLE-KSZLIROESA-N	1	0	357.454	1.308	20	30		FDEDRO
C#CCN(C)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1	ZINC000297937086	989784674	/nfs/dbraw/zinc/78/46/74/989784674.db2.gz	TXGGOTXTVKABFO-RTBURBONSA-N	1	0	353.466	1.591	20	30		FDEDRO
CN(C[C@H]1CCCO1)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000297986650	989817417	/nfs/dbraw/zinc/81/74/17/989817417.db2.gz	UXTMMUAWTCKXPB-GOSISDBHSA-N	1	0	372.469	1.086	20	30		FDEDRO
Cc1cc(C(=O)NC2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)no1	ZINC000370556924	989838304	/nfs/dbraw/zinc/83/83/04/989838304.db2.gz	MNLPFASLZGNNLO-GOSISDBHSA-N	1	0	354.410	1.783	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3OCC#N)CC[C@H]21	ZINC000874175604	989886104	/nfs/dbraw/zinc/88/61/04/989886104.db2.gz	XTHGYBNZDPSLEK-SWLSCSKDSA-N	1	0	360.389	1.219	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@@H](O)C1	ZINC000968676368	1015518869	/nfs/dbraw/zinc/51/88/69/1015518869.db2.gz	KCPWMMLCVIAFES-OAGGEKHMSA-N	1	0	351.491	1.007	20	30		FDEDRO
COCCN1C(=O)C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@@H]1c1cnn(C)c1	ZINC000370719270	989948781	/nfs/dbraw/zinc/94/87/81/989948781.db2.gz	KAIOLWKZOGFBLE-FXAWDEMLSA-N	1	0	367.453	1.618	20	30		FDEDRO
CC1([NH+]2CCCCC2)CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1	ZINC000874280987	990026442	/nfs/dbraw/zinc/02/64/42/990026442.db2.gz	RRJOMFGTXZSQSS-UHFFFAOYSA-N	1	0	358.446	1.212	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)cc1	ZINC000370900971	990106014	/nfs/dbraw/zinc/10/60/14/990106014.db2.gz	UWHSNTMVBHFHOM-MSOLQXFVSA-N	1	0	357.454	1.775	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C	ZINC000874363938	990173202	/nfs/dbraw/zinc/17/32/02/990173202.db2.gz	BNWJQFZWPNQOKB-JKSUJKDBSA-N	1	0	359.401	1.471	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000874365028	990180090	/nfs/dbraw/zinc/18/00/90/990180090.db2.gz	CICLTVWYWHLYHM-HUUCEWRRSA-N	1	0	357.458	1.748	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C	ZINC000874365727	990184101	/nfs/dbraw/zinc/18/41/01/990184101.db2.gz	DEISHZQUNKAURR-HOTGVXAUSA-N	1	0	359.401	1.471	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000874368030	990194250	/nfs/dbraw/zinc/19/42/50/990194250.db2.gz	NBHVUJRIWRLBJF-UONOGXRCSA-N	1	0	358.446	1.143	20	30		FDEDRO
C[C@@H](C#N)CN(C)C(=O)C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000298716190	990237963	/nfs/dbraw/zinc/23/79/63/990237963.db2.gz	ZZHPNMVGCIGWKU-WMZOPIPTSA-N	1	0	356.470	1.727	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1	ZINC000371093460	990243401	/nfs/dbraw/zinc/24/34/01/990243401.db2.gz	KRMFLKLUHNMMIO-UZLBHIALSA-N	1	0	369.469	1.847	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000365513684	990261068	/nfs/dbraw/zinc/26/10/68/990261068.db2.gz	NLGKNTXEMGDTSC-GOSISDBHSA-N	1	0	373.501	1.527	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(C(=O)NC)c2)C1	ZINC000968719278	1015568333	/nfs/dbraw/zinc/56/83/33/1015568333.db2.gz	PIXRPXRIAZJAOM-QRVBRYPASA-N	1	0	371.481	1.718	20	30		FDEDRO
N#CCCCOc1cccc(C[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)c1	ZINC000371664236	990608405	/nfs/dbraw/zinc/60/84/05/990608405.db2.gz	QSPADRMOBZGSHY-HXUWFJFHSA-N	1	0	372.513	1.865	20	30		FDEDRO
C#CCCOc1ccc(C[NH2+][C@H]2CCN(CCN3CCOCC3)C2)cc1	ZINC000371664430	990609436	/nfs/dbraw/zinc/60/94/36/990609436.db2.gz	SZRXNGPLIBSBPK-FQEVSTJZSA-N	1	0	357.498	1.585	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1	ZINC000371906199	990815578	/nfs/dbraw/zinc/81/55/78/990815578.db2.gz	QNFQHVQMYFPXFD-QRTARXTBSA-N	1	0	356.401	1.579	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1	ZINC000875136056	990945998	/nfs/dbraw/zinc/94/59/98/990945998.db2.gz	DSMLPWBCIBGGTD-OALUTQOASA-N	1	0	371.481	1.403	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1	ZINC000875198385	991055068	/nfs/dbraw/zinc/05/50/68/991055068.db2.gz	MPCKNMMIMUGWHP-JKSUJKDBSA-N	1	0	351.491	1.158	20	30		FDEDRO
CC(C)(O)C[N@@H+]1CCCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000372559070	991213428	/nfs/dbraw/zinc/21/34/28/991213428.db2.gz	XQQLNFUIXOOEHH-LJQANCHMSA-N	1	0	370.497	1.832	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1	ZINC000875306371	991290603	/nfs/dbraw/zinc/29/06/03/991290603.db2.gz	BHINWQSYIAFBTF-FGTMMUONSA-N	1	0	357.454	1.093	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2	ZINC000372677106	991333960	/nfs/dbraw/zinc/33/39/60/991333960.db2.gz	STEHQMUWZGPICS-UHFFFAOYSA-N	1	0	373.428	1.863	20	30		FDEDRO
N#CC1CCN(C(=O)C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CC1	ZINC000410431922	991353561	/nfs/dbraw/zinc/35/35/61/991353561.db2.gz	IHMVDOBZRCOJNK-UHFFFAOYSA-N	1	0	360.502	1.863	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1	ZINC000875455853	991572906	/nfs/dbraw/zinc/57/29/06/991572906.db2.gz	TYJJMPDIUZWSPV-QGZVFWFLSA-N	1	0	351.491	1.609	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000875603932	991793021	/nfs/dbraw/zinc/79/30/21/991793021.db2.gz	GOUSMYFWLQUCLH-RTBURBONSA-N	1	0	371.481	1.121	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(C)c1	ZINC000875606985	991797228	/nfs/dbraw/zinc/79/72/28/991797228.db2.gz	XRWRGLDSTBLQPS-SFHVURJKSA-N	1	0	359.470	1.040	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1	ZINC000875623797	991820670	/nfs/dbraw/zinc/82/06/70/991820670.db2.gz	WGSNVVAUUYZCMT-CVEARBPZSA-N	1	0	351.491	1.951	20	30		FDEDRO
C=CCN1CC[C@H](N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(C)nc(C)c2)C3)C1=O	ZINC001095471289	991841943	/nfs/dbraw/zinc/84/19/43/991841943.db2.gz	BVFLPARVNQFYLF-XWSJACJDSA-N	1	0	368.481	1.820	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](C(=O)N[C@](C)(C#N)CN(C)C)[C@H](c2cnn(C)c2)C1	ZINC000875704462	991923241	/nfs/dbraw/zinc/92/32/41/991923241.db2.gz	DATVHOPZFITNFH-JENIJYKNSA-N	1	0	360.506	1.194	20	30		FDEDRO
C#C[C@@H](NC(=O)NCC[N@H+]1CC[C@@H](O)C1)c1ccc(Br)cc1	ZINC000875724522	991948601	/nfs/dbraw/zinc/94/86/01/991948601.db2.gz	FJIDSRLWTVJMBL-HUUCEWRRSA-N	1	0	366.259	1.489	20	30		FDEDRO
C#CCCN(CCOC)C(=O)NC[C@@H]1CCN1Cc1ccc(OC)cc1	ZINC000875812087	992023756	/nfs/dbraw/zinc/02/37/56/992023756.db2.gz	QABAABHAFNFKMH-SFHVURJKSA-N	1	0	359.470	1.951	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000875914538	992186565	/nfs/dbraw/zinc/18/65/65/992186565.db2.gz	YAVOCOPBIFGYPJ-PZJWPPBQSA-N	1	0	373.497	1.693	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000875926882	992200268	/nfs/dbraw/zinc/20/02/68/992200268.db2.gz	JYKSFXZYHQCUDS-SFHVURJKSA-N	1	0	359.470	1.351	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)N2CC[C@](O)(CC#N)C2)(c2ccccc2)CC1	ZINC000876069528	992275538	/nfs/dbraw/zinc/27/55/38/992275538.db2.gz	GUUYOHFSDZCYGX-HXUWFJFHSA-N	1	0	356.470	1.710	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CC[NH+](C[C@H]3CCOC3)CC1)C2	ZINC000876279026	992519025	/nfs/dbraw/zinc/51/90/25/992519025.db2.gz	LYADYLHQRPMHAJ-VQIMIIECSA-N	1	0	354.454	1.389	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CCO1	ZINC000876281427	992521177	/nfs/dbraw/zinc/52/11/77/992521177.db2.gz	ROUOUOIHQXMXLO-RBUKOAKNSA-N	1	0	356.470	1.778	20	30		FDEDRO
C=CC[N@@H+](C)CCN(CC)[C@H](C)C(=O)N1CCN(c2ccccc2O)CC1	ZINC000411641214	992529204	/nfs/dbraw/zinc/52/92/04/992529204.db2.gz	LQUVUELAODJKTJ-GOSISDBHSA-N	1	0	374.529	1.869	20	30		FDEDRO
CCOC(=O)Cc1csc(N(CC[NH+](C)C)C(=O)[C@H](C)CC#N)n1	ZINC000876316199	992542389	/nfs/dbraw/zinc/54/23/89/992542389.db2.gz	CAVKAGKICWFSBK-GFCCVEGCSA-N	1	0	352.460	1.693	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)C(=O)NC2CCN(c3ccc(C)cn3)CC2)C1=O	ZINC000373987160	992550063	/nfs/dbraw/zinc/55/00/63/992550063.db2.gz	XHUSCURBZOKJKO-QGZVFWFLSA-N	1	0	371.485	1.787	20	30		FDEDRO
CN(C)c1ccc(C(N)=[NH+]OCCOc2ccccc2-c2nn[nH]n2)cc1	ZINC000825875518	992591265	/nfs/dbraw/zinc/59/12/65/992591265.db2.gz	RJTSMDGRSWMZKI-UHFFFAOYSA-N	1	0	367.413	1.649	20	30		FDEDRO
COC[C@@]1(C[NH+](C)C)COCCN1C(=O)C[C@H](CC#N)c1ccccc1	ZINC000876477049	992652769	/nfs/dbraw/zinc/65/27/69/992652769.db2.gz	ZZFUQSLGIXDSSS-ICSRJNTNSA-N	1	0	359.470	1.880	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)CC1	ZINC000374233307	992713997	/nfs/dbraw/zinc/71/39/97/992713997.db2.gz	XCEPNUAMNAOGSZ-QFBILLFUSA-N	1	0	353.466	1.637	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](CC)c1ccccc1OCC(=O)NC	ZINC000876593867	992727594	/nfs/dbraw/zinc/72/75/94/992727594.db2.gz	JIEFQKHFIKDYFI-KBPBESRZSA-N	1	0	353.850	1.849	20	30		FDEDRO
CCCCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876633347	992758587	/nfs/dbraw/zinc/75/85/87/992758587.db2.gz	AUDVXYXQISBTKC-MJGOQNOKSA-N	1	0	368.481	1.900	20	30		FDEDRO
C[C@](C#N)(NC(=O)C[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1)C1CC1	ZINC000412006533	992761336	/nfs/dbraw/zinc/76/13/36/992761336.db2.gz	HLYYURJKMYEOSU-WOJBJXKFSA-N	1	0	371.481	1.915	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@H](O)c1c(F)cccc1F	ZINC000876677093	992788176	/nfs/dbraw/zinc/78/81/76/992788176.db2.gz	HGQNHRWYSNXKCF-WMZOPIPTSA-N	1	0	357.360	1.873	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1	ZINC000876713967	992821425	/nfs/dbraw/zinc/82/14/25/992821425.db2.gz	QZQQUKGWKOVYCT-LZWOXQAQSA-N	1	0	370.925	1.105	20	30		FDEDRO
C[C@@H](NC(=O)[C@@H](C)c1cccc(C#N)c1)C(=O)NCC[NH+]1CCCCC1	ZINC000412316615	992906851	/nfs/dbraw/zinc/90/68/51/992906851.db2.gz	DBGVYKOJEVYAPG-JKSUJKDBSA-N	1	0	356.470	1.769	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[NH2+]C[C@@H]2CCC)s1	ZINC000876797719	992917945	/nfs/dbraw/zinc/91/79/45/992917945.db2.gz	UFTMDWYUGRORIK-ZDUSSCGKSA-N	1	0	371.528	1.355	20	30		FDEDRO
Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(CCC#N)CCC#N	ZINC000374813481	992948434	/nfs/dbraw/zinc/94/84/34/992948434.db2.gz	DVEGPXXQWRUJGX-ALOPSCKCSA-N	1	0	354.458	1.786	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1	ZINC000876896505	992956445	/nfs/dbraw/zinc/95/64/45/992956445.db2.gz	FUWGHZNTTFKZFN-UONOGXRCSA-N	1	0	363.911	1.309	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](Cc1ccccc1OC)C(=O)OC	ZINC000876903897	992960368	/nfs/dbraw/zinc/96/03/68/992960368.db2.gz	ZVIFALAMKKZMRS-KGLIPLIRSA-N	1	0	354.834	1.613	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1	ZINC000374911088	992967283	/nfs/dbraw/zinc/96/72/83/992967283.db2.gz	MCOXGCWHXXNIIN-UHFFFAOYSA-N	1	0	366.506	1.402	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1	ZINC000876959054	992983830	/nfs/dbraw/zinc/98/38/30/992983830.db2.gz	OTFNTVNIUDZLPK-QLFBSQMISA-N	1	0	361.829	1.100	20	30		FDEDRO
CNC(=O)CC1(CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CCCCC1	ZINC000876974150	992992373	/nfs/dbraw/zinc/99/23/73/992992373.db2.gz	YTHCAUWZBMXVGD-IBGZPJMESA-N	1	0	368.481	1.948	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)Cc3cccc4c3CC[NH2+]C4)CC2)cn1	ZINC000877296907	993193459	/nfs/dbraw/zinc/19/34/59/993193459.db2.gz	LHHXILAEWNKWEI-UHFFFAOYSA-N	1	0	361.449	1.490	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CCNC2=O)C3)c1	ZINC001095527407	993215707	/nfs/dbraw/zinc/21/57/07/993215707.db2.gz	XZJVDJIXZHRHLY-BDXSIMOUSA-N	1	0	352.438	1.306	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1	ZINC000877356453	993242358	/nfs/dbraw/zinc/24/23/58/993242358.db2.gz	NYNBBBVUYIZUPG-RYUDHWBXSA-N	1	0	357.332	1.541	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)s1	ZINC000877387038	993264657	/nfs/dbraw/zinc/26/46/57/993264657.db2.gz	XQCLBCGQJXSPSY-CZUORRHYSA-N	1	0	369.512	1.156	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)ccc1F	ZINC000877396541	993270159	/nfs/dbraw/zinc/27/01/59/993270159.db2.gz	ZBYGHILGLZRGDS-DOTOQJQBSA-N	1	0	367.446	1.304	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)CCCCCC[NH3+])cc1	ZINC000877442294	993285749	/nfs/dbraw/zinc/28/57/49/993285749.db2.gz	CLIDSOKEDFQRDE-UHFFFAOYSA-N	1	0	353.488	1.742	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[N@@H+]1CCC[C@H]1C[C@]1(C)NC(=O)NC1=O	ZINC000877516919	993316248	/nfs/dbraw/zinc/31/62/48/993316248.db2.gz	GMAJCZAJTNZGBT-KXBFYZLASA-N	1	0	355.442	1.577	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC[C@H]1C[NH3+]	ZINC000923698945	993346255	/nfs/dbraw/zinc/34/62/55/993346255.db2.gz	GVBBBHRGVGVMCF-MNOVXSKESA-N	1	0	372.288	1.926	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cncc(C)c1	ZINC001095556516	993446724	/nfs/dbraw/zinc/44/67/24/993446724.db2.gz	WDEJXSXGRJEZGT-FYQPLNBISA-N	1	0	352.482	1.709	20	30		FDEDRO
C=CCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000651515994	1015785689	/nfs/dbraw/zinc/78/56/89/1015785689.db2.gz	ZOKKCRASLUHQSH-IAGOWNOFSA-N	1	0	361.490	1.864	20	30		FDEDRO
CNS(=O)(=O)c1ccc(CC[NH2+][C@H](C)CC2(C#N)CCOCC2)cc1	ZINC000877735180	993489057	/nfs/dbraw/zinc/48/90/57/993489057.db2.gz	KGCDZDJVMLUYBG-OAHLLOKOSA-N	1	0	365.499	1.826	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCCNC2=O)C3)c1	ZINC001095568977	993525126	/nfs/dbraw/zinc/52/51/26/993525126.db2.gz	BTYNYRARNJIZFN-OWSLCNJRSA-N	1	0	352.438	1.306	20	30		FDEDRO
C[NH+]1CCN(CCCNC(=O)c2cc(-c3cccc(C#N)c3)no2)CC1	ZINC000468511640	993563903	/nfs/dbraw/zinc/56/39/03/993563903.db2.gz	TWGCBTKWRWWVKP-UHFFFAOYSA-N	1	0	353.426	1.581	20	30		FDEDRO
C[NH+]1CCC(NC(=O)CN2CCC(Oc3cccc(C#N)c3)CC2)CC1	ZINC000878057178	993663830	/nfs/dbraw/zinc/66/38/30/993663830.db2.gz	YZEWVWVLZYBGBZ-UHFFFAOYSA-N	1	0	356.470	1.612	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC1	ZINC000965046262	1015800340	/nfs/dbraw/zinc/80/03/40/1015800340.db2.gz	OVOVHSVVEAHPIU-ZACQAIPSSA-N	1	0	361.486	1.171	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NCC(=O)NCc2ccc(C#N)cc2)[C@H](C)C1	ZINC000469793044	993882258	/nfs/dbraw/zinc/88/22/58/993882258.db2.gz	BIUTYHGJRPVFQT-XLIONFOSSA-N	1	0	372.513	1.901	20	30		FDEDRO
CC[N@H+](CCO)CCNC(=O)NC1CCC(Oc2ccccc2C#N)CC1	ZINC000470058223	993941648	/nfs/dbraw/zinc/94/16/48/993941648.db2.gz	UVZDSXBWBSIRSU-UHFFFAOYSA-N	1	0	374.485	1.862	20	30		FDEDRO
C[C@@H]1C[NH+](C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)C[C@@H](C)N1CC#N	ZINC000878772158	994214463	/nfs/dbraw/zinc/21/44/63/994214463.db2.gz	GWOSZINTSULGTG-MDZRGWNJSA-N	1	0	366.506	1.667	20	30		FDEDRO
CC(=O)[C@](C#N)(CCN1CCN(CC[NH+](C)C)C(=O)C1)c1ccccc1	ZINC000878802895	994243194	/nfs/dbraw/zinc/24/31/94/994243194.db2.gz	UDZFCASZNXTMKZ-HXUWFJFHSA-N	1	0	356.470	1.133	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1cc(OC)no1)C2	ZINC000965160006	1015864534	/nfs/dbraw/zinc/86/45/34/1015864534.db2.gz	KAOLJCGTPSVZPS-OUFOLLHKSA-N	1	0	361.442	1.791	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+][C@H]1CCN(CC)C1=O)C2	ZINC000965160792	1015864762	/nfs/dbraw/zinc/86/47/62/1015864762.db2.gz	OWUKKJKXQSKZHY-AXGZNRHMSA-N	1	0	361.486	1.215	20	30		FDEDRO
COCCN(CC(=O)Nc1oc(C)c(C)c1C#N)CC1CC[NH+](C)CC1	ZINC000879123982	994556442	/nfs/dbraw/zinc/55/64/42/994556442.db2.gz	OFLBUHXAKNWLCV-UHFFFAOYSA-N	1	0	362.474	1.997	20	30		FDEDRO
C#CCN(C(=O)NCCn1nc(C(F)(F)F)cc1C)C1CC[NH+](C)CC1	ZINC000924383566	994606802	/nfs/dbraw/zinc/60/68/02/994606802.db2.gz	GCZWWVRWLIPBRL-UHFFFAOYSA-N	1	0	371.407	1.949	20	30		FDEDRO
COC(=O)CCN(CC#N)[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000879474726	994936126	/nfs/dbraw/zinc/93/61/26/994936126.db2.gz	VTPWIHZEPMQALC-AEFFLSMTSA-N	1	0	372.469	1.154	20	30		FDEDRO
COC(=O)CCN(CC#N)[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000879474731	994936173	/nfs/dbraw/zinc/93/61/73/994936173.db2.gz	VTPWIHZEPMQALC-WMZOPIPTSA-N	1	0	372.469	1.154	20	30		FDEDRO
COc1ccc([C@H]2CN(C[C@H](O)COc3ccccc3C#N)CC[NH2+]2)cc1	ZINC000879523099	994975669	/nfs/dbraw/zinc/97/56/69/994975669.db2.gz	TXWJYQFLOOSUNH-AZUAARDMSA-N	1	0	367.449	1.953	20	30		FDEDRO
CN1C(=O)[C@H]2C[N@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@H]2C1=O	ZINC000879533839	994986709	/nfs/dbraw/zinc/98/67/09/994986709.db2.gz	SPFRHUBCPBGIRH-BETUJISGSA-N	1	0	360.801	1.087	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)CC1	ZINC000879563070	995011931	/nfs/dbraw/zinc/01/19/31/995011931.db2.gz	PZGMSFOWZCYDEM-ZACQAIPSSA-N	1	0	350.532	1.364	20	30		FDEDRO
CC(C)[C@H]1CN(CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC[N@@H+]1C	ZINC000879601347	995072655	/nfs/dbraw/zinc/07/26/55/995072655.db2.gz	NMXGUHDRNLPEQE-NVXWUHKLSA-N	1	0	367.453	1.784	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)N(C)C	ZINC001110898766	995266065	/nfs/dbraw/zinc/26/60/65/995266065.db2.gz	SLPMTVQZVYMADS-KFWWJZLASA-N	1	0	357.520	1.202	20	30		FDEDRO
C=CCCC[C@@H]1NC(=O)N([C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1=O	ZINC000925103022	995290518	/nfs/dbraw/zinc/29/05/18/995290518.db2.gz	XQMSIXBTJSADHE-IRXDYDNUSA-N	1	0	364.490	1.060	20	30		FDEDRO
CC[C@@H](C#N)Oc1cc(C[NH2+][C@H]2C(=O)NCC23CCOCC3)ccc1OC	ZINC000925398643	995558031	/nfs/dbraw/zinc/55/80/31/995558031.db2.gz	ZWBDPUKLLXXQTN-YJBOKZPZSA-N	1	0	373.453	1.761	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CC[N@@H+]2C)cc1	ZINC000925405698	995567189	/nfs/dbraw/zinc/56/71/89/995567189.db2.gz	YZIZBEUDIMQPFS-AWEZNQCLSA-N	1	0	352.460	1.319	20	30		FDEDRO
Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]CCNC(=O)C2N=CC=CC2=O)n(C)n1	ZINC000925415508	995577596	/nfs/dbraw/zinc/57/75/96/995577596.db2.gz	RUOKXERHVLZLPK-ZXFOJKPWSA-N	1	0	357.458	1.556	20	30		FDEDRO
C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC1(CO)COC1	ZINC000925583913	995668633	/nfs/dbraw/zinc/66/86/33/995668633.db2.gz	IVCBIXRVYAEYAP-HNNXBMFYSA-N	1	0	367.490	1.904	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1	ZINC000880211511	995723824	/nfs/dbraw/zinc/72/38/24/995723824.db2.gz	PIFHGKLCKVYFOR-FUHWJXTLSA-N	1	0	362.518	1.951	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)CN2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc1	ZINC000880212930	995724278	/nfs/dbraw/zinc/72/42/78/995724278.db2.gz	OGCIBIANMBROHX-MOPGFXCFSA-N	1	0	359.470	1.531	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)C#Cc1ccc3c(c1)OCO3)C2	ZINC000926168224	995954493	/nfs/dbraw/zinc/95/44/93/995954493.db2.gz	FLAJJOPZBYKMHT-IMAQQZIHSA-N	1	0	370.449	1.363	20	30		FDEDRO
CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)CC3(C#N)CCOCC3)C2)[C@H]1C(C)C	ZINC000926239801	995988618	/nfs/dbraw/zinc/98/86/18/995988618.db2.gz	VVIXIPLTYPMJBJ-CIWUYKSXSA-N	1	0	363.502	1.683	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@@]3(C[N@@H+](CC)[C@@H]3C(C)C)C[C@H]2O)CC1	ZINC000926255545	996000853	/nfs/dbraw/zinc/00/08/53/996000853.db2.gz	RRSSFIBBRAWHAZ-XCJLJZCSSA-N	1	0	361.530	1.318	20	30		FDEDRO
C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H]1CCNC1=O	ZINC000926674782	996269195	/nfs/dbraw/zinc/26/91/95/996269195.db2.gz	XXAWEEXHJURQOB-KBPBESRZSA-N	1	0	350.463	1.784	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CCOC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1	ZINC000965440831	1016075930	/nfs/dbraw/zinc/07/59/30/1016075930.db2.gz	PBGBWHJKJOZGJM-JKSUJKDBSA-N	1	0	363.502	1.369	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N(C)CC(=O)Nc2cccc(OC)c2)CCOCC1	ZINC000887123382	996954088	/nfs/dbraw/zinc/95/40/88/996954088.db2.gz	MWTIYEGXJILTIZ-UHFFFAOYSA-N	1	0	373.453	1.254	20	30		FDEDRO
C[C@@H]1CN(c2cc[nH+]cc2)CCN1C[C@@H](O)COc1ccccc1C#N	ZINC000887134470	996961068	/nfs/dbraw/zinc/96/10/68/996961068.db2.gz	KFTVFOVWPCQKAH-VQIMIIECSA-N	1	0	352.438	1.904	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1	ZINC000333392422	997212415	/nfs/dbraw/zinc/21/24/15/997212415.db2.gz	HESZDQBAWIEBEY-RNIPGJKVSA-N	1	0	360.502	1.226	20	30		FDEDRO
C#CCOc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1	ZINC000796482583	1016110650	/nfs/dbraw/zinc/11/06/50/1016110650.db2.gz	NSUKBHIDJLHPJS-AEFFLSMTSA-N	1	0	350.484	1.896	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCCN1CCOCC1	ZINC000263947153	997363655	/nfs/dbraw/zinc/36/36/55/997363655.db2.gz	WHGWYKRESRZDNU-UHFFFAOYSA-N	1	0	372.513	1.951	20	30		FDEDRO
CCN(CC)c1ccc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)cn1	ZINC000264077691	997397357	/nfs/dbraw/zinc/39/73/57/997397357.db2.gz	HSQQJYMIGJRYSF-UHFFFAOYSA-N	1	0	368.489	1.355	20	30		FDEDRO
C[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)N1CCc2ccccc2C1	ZINC000264084690	997399459	/nfs/dbraw/zinc/39/94/59/997399459.db2.gz	IVELHLMETWSRNH-KRWDZBQOSA-N	1	0	359.518	1.060	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NCc2cccnc2N2CCN(C)CC2)cc1	ZINC000264092862	997401515	/nfs/dbraw/zinc/40/15/15/997401515.db2.gz	LNPJOMVEIPXGEK-UHFFFAOYSA-N	1	0	354.458	1.769	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC2(OCCO)CCC(C(F)F)CC2)CC1	ZINC000887562540	997421084	/nfs/dbraw/zinc/42/10/84/997421084.db2.gz	GLIFYVVAQDLAPM-UHFFFAOYSA-N	1	0	372.456	1.651	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NC[C@@](O)(c1ccccc1)C(F)(F)F	ZINC000264242015	997434707	/nfs/dbraw/zinc/43/47/07/997434707.db2.gz	FJGJAUXPSXLCEH-MRXNPFEDSA-N	1	0	374.407	1.063	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCCc2cccc(C(N)=O)c2)cc1OC	ZINC000264277072	997447042	/nfs/dbraw/zinc/44/70/42/997447042.db2.gz	NAQCKKQPKPIAQA-UHFFFAOYSA-N	1	0	356.426	1.450	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC#Cc2ccccc2)CC1=O	ZINC000264357164	997476614	/nfs/dbraw/zinc/47/66/14/997476614.db2.gz	AQXVTWSVMQYHRG-RTBURBONSA-N	1	0	353.466	1.487	20	30		FDEDRO
COc1ccc([C@H](CNC(=O)N2CCO[C@H](C#N)C2)[NH+](C)C)cc1OC	ZINC000264367215	997482822	/nfs/dbraw/zinc/48/28/22/997482822.db2.gz	IZBKIKXCQNQEFP-CABCVRRESA-N	1	0	362.430	1.240	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCC(c2ccc(S(N)(=O)=O)cc2)CC1	ZINC000887616480	997533177	/nfs/dbraw/zinc/53/31/77/997533177.db2.gz	QWZZRWDGVMWQDA-UHFFFAOYSA-N	1	0	351.472	1.158	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCCCCN2C(=O)c3ccccc3C2=O)CC1	ZINC000264632501	997560640	/nfs/dbraw/zinc/56/06/40/997560640.db2.gz	BUJOSTKCBYJNDB-UHFFFAOYSA-N	1	0	367.449	1.524	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N(C)Cc1cc(C)on1)C(C)C	ZINC000283016656	997698791	/nfs/dbraw/zinc/69/87/91/997698791.db2.gz	BHMOITQZOUSDMO-KRWDZBQOSA-N	1	0	362.474	1.756	20	30		FDEDRO
C[C@@H]1CCC[N@H+](CCCCNC(=O)CCNC(=O)C2N=CC=CC2=O)C1	ZINC000265398542	997781077	/nfs/dbraw/zinc/78/10/77/997781077.db2.gz	HMJMVXYFYHHHBN-RAJOGRCSSA-N	1	0	362.474	1.531	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C[C@]2(C)C1	ZINC000887924473	997954458	/nfs/dbraw/zinc/95/44/58/997954458.db2.gz	MBVUAIPMFGGFIW-CLCXKQKWSA-N	1	0	364.490	1.984	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c1	ZINC000887937988	997966582	/nfs/dbraw/zinc/96/65/82/997966582.db2.gz	UJEGEFPRKWTIQT-QAPCUYQASA-N	1	0	363.483	1.175	20	30		FDEDRO
C#CCC1(NC(=O)NCc2cccnc2N2CC[NH+](C)CC2)CCOCC1	ZINC000887953180	997979872	/nfs/dbraw/zinc/97/98/72/997979872.db2.gz	MERQQIJEWMHPKV-UHFFFAOYSA-N	1	0	371.485	1.205	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(C(=O)Nc2ccc(C#N)cn2)CC1	ZINC000889235881	998240211	/nfs/dbraw/zinc/24/02/11/998240211.db2.gz	OGNPKXXXYRWXQH-UHFFFAOYSA-N	1	0	361.446	1.544	20	30		FDEDRO
N#Cc1ccc(C[C@H](C#N)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cc1	ZINC000889756596	998605003	/nfs/dbraw/zinc/60/50/03/998605003.db2.gz	PCMYDGORRUXORA-CEXWTWQISA-N	1	0	352.438	1.298	20	30		FDEDRO
C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000889934108	998732345	/nfs/dbraw/zinc/73/23/45/998732345.db2.gz	LOLWDOLJAAPMCC-CRAIPNDOSA-N	1	0	356.470	1.990	20	30		FDEDRO
C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CC#N)n2)C1	ZINC000889976502	998755217	/nfs/dbraw/zinc/75/52/17/998755217.db2.gz	FNISAAGEGGFGSI-HNNXBMFYSA-N	1	0	355.442	1.276	20	30		FDEDRO
C#CCC[C@@H](O)CNC(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000889996062	998763039	/nfs/dbraw/zinc/76/30/39/998763039.db2.gz	LRFODYGBRKMOHZ-LJQANCHMSA-N	1	0	373.497	1.477	20	30		FDEDRO
C#CCCCCNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000890011626	998772697	/nfs/dbraw/zinc/77/26/97/998772697.db2.gz	ZHLNBUOQZURYTM-IBGZPJMESA-N	1	0	368.481	1.829	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NCCC[N@@H+](C)CC(C)C)c1	ZINC000651769571	1016252508	/nfs/dbraw/zinc/25/25/08/1016252508.db2.gz	LPBPENRNOWWVBD-UHFFFAOYSA-N	1	0	367.515	1.859	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NC(C)(C)c2cn(-c3ccccc3)nn2)C1	ZINC000890369630	998917207	/nfs/dbraw/zinc/91/72/07/998917207.db2.gz	YBKPECPTDODIIM-MRXNPFEDSA-N	1	0	366.469	1.899	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)nn(C)c1Cl)C2	ZINC001110872242	999088867	/nfs/dbraw/zinc/08/88/67/999088867.db2.gz	PWAMOWDZGBCJQX-MCIONIFRSA-N	1	0	352.866	1.920	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nc(C)n(-c3nc[nH]n3)n1)C2	ZINC001110875464	999095184	/nfs/dbraw/zinc/09/51/84/999095184.db2.gz	DLKABFLTFFHWID-NGFQHRJXSA-N	1	0	370.461	1.384	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]nc1C)C2	ZINC001110877479	999099917	/nfs/dbraw/zinc/09/99/17/999099917.db2.gz	TWEXGKHQCXEDHB-AHCXZYCDSA-N	1	0	373.501	1.866	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1	ZINC000266909796	999263203	/nfs/dbraw/zinc/26/32/03/999263203.db2.gz	ZIJDWTFQRNWWQF-SFHVURJKSA-N	1	0	372.513	1.771	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000267495247	999349607	/nfs/dbraw/zinc/34/96/07/999349607.db2.gz	XLXUBFPKJGASAV-RBUKOAKNSA-N	1	0	370.497	1.976	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cc(C)nn2-c2cc(C)nc(C)n2)CC1	ZINC000267683493	999379970	/nfs/dbraw/zinc/37/99/70/999379970.db2.gz	MMUYOPOBHYBZRP-UHFFFAOYSA-N	1	0	352.442	1.871	20	30		FDEDRO
COc1cccc(C(C)(C)CNC(=[NH2+])N2CCN(c3ncccn3)CC2)c1	ZINC000269665529	999471122	/nfs/dbraw/zinc/47/11/22/999471122.db2.gz	LLJCRWAHDHOIIP-UHFFFAOYSA-N	1	0	368.485	1.900	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCc3ccc(C#N)cc32)C1	ZINC000270144745	999518712	/nfs/dbraw/zinc/51/87/12/999518712.db2.gz	FBULZHWPZZMAAL-INIZCTEOSA-N	1	0	354.454	1.684	20	30		FDEDRO
CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)C1	ZINC000270177193	999521350	/nfs/dbraw/zinc/52/13/50/999521350.db2.gz	LDOMWBITRWEPHL-INIZCTEOSA-N	1	0	354.454	1.638	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)nn1CCC#N	ZINC000270990901	999645598	/nfs/dbraw/zinc/64/55/98/999645598.db2.gz	DXDOBCBFYGLEDK-UHFFFAOYSA-N	1	0	360.462	1.282	20	30		FDEDRO
C[C@](O)(CNC(=[NH2+])N1CCN(c2ncccn2)CC1)c1ccccc1Cl	ZINC000274079145	999735824	/nfs/dbraw/zinc/73/58/24/999735824.db2.gz	MTUKABLLEGNQBA-SFHVURJKSA-N	1	0	374.876	1.474	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(C#N)cc1	ZINC000284005401	999768007	/nfs/dbraw/zinc/76/80/07/999768007.db2.gz	NGWCHDKHDPTGJT-NVXWUHKLSA-N	1	0	354.454	1.680	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N(C)CCc1cnccn1)C(C)C	ZINC000284030565	999774123	/nfs/dbraw/zinc/77/41/23/999774123.db2.gz	LPGGJYRBMZVLKV-SFHVURJKSA-N	1	0	373.501	1.292	20	30		FDEDRO
C=C(C)COc1cc(C[NH2+]CCn2cc(C(=O)OC)nn2)ccc1OC	ZINC000284049723	999775783	/nfs/dbraw/zinc/77/57/83/999775783.db2.gz	PHSXNGFGGUSGCJ-UHFFFAOYSA-N	1	0	360.414	1.818	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc3ncccc3c2)CC1	ZINC000284075436	999775933	/nfs/dbraw/zinc/77/59/33/999775933.db2.gz	KFGJPAFOOLYJEZ-UHFFFAOYSA-N	1	0	352.438	1.618	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@@H](C)Cn1ccnc1)C(C)C	ZINC000284147505	999778233	/nfs/dbraw/zinc/77/82/33/999778233.db2.gz	YVFWZVDCYBWBBU-IRXDYDNUSA-N	1	0	361.490	1.203	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCc2cn3ccccc3n2)CC1	ZINC000284366245	999817379	/nfs/dbraw/zinc/81/73/79/999817379.db2.gz	OCSYAYQQZAGTFN-UHFFFAOYSA-N	1	0	369.469	1.150	20	30		FDEDRO
CCn1cc(C#N)c(=O)n(CCC[NH+]2CCN(c3ccccc3)CC2)c1=O	ZINC000285289731	999908885	/nfs/dbraw/zinc/90/88/85/999908885.db2.gz	VBFKLISIADJMSQ-UHFFFAOYSA-N	1	0	367.453	1.114	20	30		FDEDRO
C[N@@H+]1CC[C@H]2OCCN(C(=O)CCCC(=O)Nc3ccccc3C#N)[C@H]2C1	ZINC000285904401	999924262	/nfs/dbraw/zinc/92/42/62/999924262.db2.gz	SYQSHDSJFIRGMJ-ZWKOTPCHSA-N	1	0	370.453	1.599	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N3CCO[C@H]4CC[N@@H+](C)C[C@@H]43)CC2)o1	ZINC000285925024	999926118	/nfs/dbraw/zinc/92/61/18/999926118.db2.gz	URSMFJIAPZRALR-IRXDYDNUSA-N	1	0	373.457	1.003	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2ccc(NC(C)=O)cc2)CC1	ZINC000286205812	999942860	/nfs/dbraw/zinc/94/28/60/999942860.db2.gz	LAKGXTUJVLMSRK-UHFFFAOYSA-N	1	0	372.469	1.070	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](Nc3ccccc3)C2)CC1	ZINC000286427376	999944369	/nfs/dbraw/zinc/94/43/69/999944369.db2.gz	GDQDZSOALUHAEU-IBGZPJMESA-N	1	0	370.497	1.856	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCOC[C@@H]2c2ccc(C)o2)CC1	ZINC000286698438	999946484	/nfs/dbraw/zinc/94/64/84/999946484.db2.gz	PUANXQLOIDHPOI-MRXNPFEDSA-N	1	0	361.442	1.255	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CC1	ZINC000286758921	999949327	/nfs/dbraw/zinc/94/93/27/999949327.db2.gz	UAKURCYBPCCXPD-UHFFFAOYSA-N	1	0	372.513	1.868	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccc3c(c2)OCO3)CC1	ZINC000286836161	999952523	/nfs/dbraw/zinc/95/25/23/999952523.db2.gz	XUOWICWMRUESAP-UHFFFAOYSA-N	1	0	373.453	1.530	20	30		FDEDRO
C#CC[C@@H](Cc1ccccc1)NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	ZINC000287244299	999955894	/nfs/dbraw/zinc/95/58/94/999955894.db2.gz	QIETYKOPRUEDJG-IBGZPJMESA-N	1	0	356.514	1.946	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1	ZINC000287840193	999965310	/nfs/dbraw/zinc/96/53/10/999965310.db2.gz	LBPDBRPCXPAZFO-OAHLLOKOSA-N	1	0	356.470	1.896	20	30		FDEDRO
C[NH+]1CCC(O)(CNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000288123407	999988440	/nfs/dbraw/zinc/98/84/40/999988440.db2.gz	YAZAVDCKTWJATK-HNNXBMFYSA-N	1	0	360.433	1.097	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000288216690	999997683	/nfs/dbraw/zinc/99/76/83/999997683.db2.gz	PBVSRRFAIRENGP-PKOBYXMFSA-N	1	0	373.497	1.722	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000288216636	999997700	/nfs/dbraw/zinc/99/77/00/999997700.db2.gz	PBVSRRFAIRENGP-HKUYNNGSSA-N	1	0	373.497	1.722	20	30		FDEDRO
C=CCn1c(CC2CC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000289802500	1000119935	/nfs/dbraw/zinc/11/99/35/1000119935.db2.gz	VAOUSUBGCUXFBD-INIZCTEOSA-N	1	0	358.490	1.159	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1	ZINC000289979957	1000123558	/nfs/dbraw/zinc/12/35/58/1000123558.db2.gz	XRAJQPSVWZVRNB-IBGZPJMESA-N	1	0	359.449	1.814	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1	ZINC000292290795	1000227670	/nfs/dbraw/zinc/22/76/70/1000227670.db2.gz	JJJQYDWQFDCSEP-WBVHZDCISA-N	1	0	363.458	1.267	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cc21	ZINC000927795258	1001053585	/nfs/dbraw/zinc/05/35/85/1001053585.db2.gz	NQIKTIADYNNDRA-UAGQMJEPSA-N	1	0	367.453	1.747	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1	ZINC000927846227	1001108336	/nfs/dbraw/zinc/10/83/36/1001108336.db2.gz	CISHDTOHAJNRPW-WDEREUQCSA-N	1	0	358.295	1.374	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c1C#N	ZINC000927849431	1001115748	/nfs/dbraw/zinc/11/57/48/1001115748.db2.gz	RGOHTVUSMQPQLC-RYUDHWBXSA-N	1	0	354.332	1.543	20	30		FDEDRO
N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c1	ZINC000927849526	1001116717	/nfs/dbraw/zinc/11/67/17/1001116717.db2.gz	TWOQVHFNWNZIEI-ONGXEEELSA-N	1	0	374.750	1.888	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12	ZINC000928099755	1001375452	/nfs/dbraw/zinc/37/54/52/1001375452.db2.gz	UIIUHUZTVMALIE-SJORKVTESA-N	1	0	374.510	1.904	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12	ZINC000928099751	1001375623	/nfs/dbraw/zinc/37/56/23/1001375623.db2.gz	UIIUHUZTVMALIE-IAGOWNOFSA-N	1	0	374.510	1.904	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12	ZINC000928100773	1001378391	/nfs/dbraw/zinc/37/83/91/1001378391.db2.gz	ZLPVZBMCULJJMM-HUUCEWRRSA-N	1	0	361.467	1.642	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)CC1	ZINC000947041875	1001439023	/nfs/dbraw/zinc/43/90/23/1001439023.db2.gz	RDJILMAVOFVLQD-QRVBRYPASA-N	1	0	373.497	1.006	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC[N@@H+]1C	ZINC000928438236	1001521316	/nfs/dbraw/zinc/52/13/16/1001521316.db2.gz	YXFJEXIVVGLGEN-KFNAQCHYSA-N	1	0	360.845	1.773	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cc(N3C[C@@H](C)O[C@H](C)C3)ccn2)CC1	ZINC000928653048	1001610398	/nfs/dbraw/zinc/61/03/98/1001610398.db2.gz	WXGIJSPGTCBUTG-HZPDHXFCSA-N	1	0	356.470	1.523	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cnn3cc(Br)cnc23)CC1	ZINC000928653783	1001610526	/nfs/dbraw/zinc/61/05/26/1001610526.db2.gz	ATJOOKJPTZOABL-UHFFFAOYSA-N	1	0	362.231	1.319	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3c(F)cccc3F)C2)CC1	ZINC000928653787	1001610659	/nfs/dbraw/zinc/61/06/59/1001610659.db2.gz	AWIQJFHJCJCEIV-ZDUSSCGKSA-N	1	0	361.392	1.532	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)CC1	ZINC000928655852	1001612071	/nfs/dbraw/zinc/61/20/71/1001612071.db2.gz	ATQNLWDRVZIKBI-INIZCTEOSA-N	1	0	360.502	1.564	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)CC1	ZINC000928656765	1001612419	/nfs/dbraw/zinc/61/24/19/1001612419.db2.gz	CWMVRAAFJPRHFU-QGZVFWFLSA-N	1	0	359.495	1.495	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)CC1	ZINC000928656921	1001612510	/nfs/dbraw/zinc/61/25/10/1001612510.db2.gz	GFKWTCVVDBLXME-UHFFFAOYSA-N	1	0	356.466	1.957	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CCCNC(=O)c2ccc(F)cc2F)CC1	ZINC000928658761	1001613963	/nfs/dbraw/zinc/61/39/63/1001613963.db2.gz	PXIAUGSFAFXSNE-UHFFFAOYSA-N	1	0	363.408	1.689	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CCn2c(=O)oc3cc(Cl)ccc32)CC1	ZINC000928658387	1001613986	/nfs/dbraw/zinc/61/39/86/1001613986.db2.gz	IPFVYWCTKGYUJZ-UHFFFAOYSA-N	1	0	361.829	1.852	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@]2(NC(=O)OC(C)(C)C)CC2(F)F)CC1	ZINC000928660077	1001615301	/nfs/dbraw/zinc/61/53/01/1001615301.db2.gz	GUESBSUYOPEGAR-INIZCTEOSA-N	1	0	357.401	1.503	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CCCn3cc(C(F)(F)F)nc32)CC1	ZINC000928661462	1001615868	/nfs/dbraw/zinc/61/58/68/1001615868.db2.gz	XASANBKREKPALB-CYBMUJFWSA-N	1	0	354.376	1.993	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)CC1	ZINC000928660940	1001615926	/nfs/dbraw/zinc/61/59/26/1001615926.db2.gz	KFTRHMGEZCGIQJ-SFHVURJKSA-N	1	0	367.449	1.521	20	30		FDEDRO
C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC#N)C(F)(F)F	ZINC000928800867	1001672278	/nfs/dbraw/zinc/67/22/78/1001672278.db2.gz	QUNNUOFQHXAYHX-UWVGGRQHSA-N	1	0	352.357	1.402	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C	ZINC000947964978	1001984402	/nfs/dbraw/zinc/98/44/02/1001984402.db2.gz	NBUVFOVIAWWDOG-KBAYOESNSA-N	1	0	371.481	1.922	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1ccccc1COCC)C1CC[NH+](C)CC1	ZINC000929393655	1001995218	/nfs/dbraw/zinc/99/52/18/1001995218.db2.gz	MCOOUQVJILFIRL-UHFFFAOYSA-N	1	0	371.481	1.395	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@H](O)COc2ccc3cc[nH]c3c2)CC1	ZINC000929419613	1002030369	/nfs/dbraw/zinc/03/03/69/1002030369.db2.gz	HYBLGUVYEOQHIQ-KRWDZBQOSA-N	1	0	355.438	1.369	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1	ZINC000948410455	1002310517	/nfs/dbraw/zinc/31/05/17/1002310517.db2.gz	PXUZWGSERDLPSF-NXHRZFHOSA-N	1	0	363.502	1.559	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N(C)Cc1cc(C#N)cs1	ZINC000929695178	1002354448	/nfs/dbraw/zinc/35/44/48/1002354448.db2.gz	MCIXQQJHGNUIBM-KBPBESRZSA-N	1	0	362.499	1.815	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1CC	ZINC000076300912	1002386619	/nfs/dbraw/zinc/38/66/19/1002386619.db2.gz	KTIHWBGQTPCZGE-HNNXBMFYSA-N	1	0	361.417	1.767	20	30		FDEDRO
C#Cc1ccc(NC(=O)CCN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1	ZINC000929847390	1002515013	/nfs/dbraw/zinc/51/50/13/1002515013.db2.gz	IHVOMWPKONRDHM-IBGZPJMESA-N	1	0	368.481	1.235	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2cnn(CC3CCC3)c2)CC1	ZINC000930006165	1002728181	/nfs/dbraw/zinc/72/81/81/1002728181.db2.gz	CFCAISRSZSJQJV-OAHLLOKOSA-N	1	0	373.501	1.627	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC(C)(C)OC2(C)C)CC1	ZINC000930007218	1002729312	/nfs/dbraw/zinc/72/93/12/1002729312.db2.gz	LVINYZMXASBGKR-AWEZNQCLSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2nccc3c2CCCC3)CC1	ZINC000930011045	1002734562	/nfs/dbraw/zinc/73/45/62/1002734562.db2.gz	YUDYRONFVYDUQM-UHFFFAOYSA-N	1	0	370.497	1.733	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H](C)Cc1ccc(C)cc1C)C1CC[NH+](C)CC1	ZINC000930054062	1002768974	/nfs/dbraw/zinc/76/89/74/1002768974.db2.gz	HRSQMNINUUELNE-GOSISDBHSA-N	1	0	369.509	1.907	20	30		FDEDRO
COC(=O)CC1([NH2+]Cc2cc(Cl)cc(C#N)c2)CCS(=O)(=O)CC1	ZINC000930249197	1002968434	/nfs/dbraw/zinc/96/84/34/1002968434.db2.gz	UQPUSMPFBNPKEK-UHFFFAOYSA-N	1	0	370.858	1.812	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O	ZINC000930332720	1003028195	/nfs/dbraw/zinc/02/81/95/1003028195.db2.gz	DTDDQRGSZLDSLZ-UHFFFAOYSA-N	1	0	356.401	1.722	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(CC[NH+](C[C@H](C)OC)CC2)C1	ZINC000949194429	1003081993	/nfs/dbraw/zinc/08/19/93/1003081993.db2.gz	VQLLUTUJEWUOHA-BBWFWOEESA-N	1	0	352.475	1.306	20	30		FDEDRO
C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CCO2	ZINC000949200430	1003088093	/nfs/dbraw/zinc/08/80/93/1003088093.db2.gz	VZHBPPLLMYYHGW-ZWKOTPCHSA-N	1	0	358.486	1.793	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cc1	ZINC000949226007	1003120583	/nfs/dbraw/zinc/12/05/83/1003120583.db2.gz	BCAYQMLBIKFDST-OXQOHEQNSA-N	1	0	367.493	1.977	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCC(C)(C)[C@@H]1CCCCO1)C1CC[NH+](C)CC1	ZINC000930507359	1003216704	/nfs/dbraw/zinc/21/67/04/1003216704.db2.gz	GWSZBKXUJZDLQY-KRWDZBQOSA-N	1	0	363.502	1.254	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H]1C[C@H](OC)C1(CC)CC)C1CC[NH+](C)CC1	ZINC000930511402	1003221913	/nfs/dbraw/zinc/22/19/13/1003221913.db2.gz	ICUTXQKMFCSVHT-SJORKVTESA-N	1	0	363.502	1.252	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)C[C@]2(C)C1	ZINC000930852699	1003585777	/nfs/dbraw/zinc/58/57/77/1003585777.db2.gz	MDELKDDHJFWYSR-KDOFPFPSSA-N	1	0	351.414	1.554	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCC[C@@]1(C)C[C@@]1(F)Cl)C1CC[NH+](C)CC1	ZINC000930938595	1003681980	/nfs/dbraw/zinc/68/19/80/1003681980.db2.gz	PQDCRYCANUDMBF-IRXDYDNUSA-N	1	0	357.857	1.363	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1)[NH+]1CCCC1	ZINC000949890394	1003781815	/nfs/dbraw/zinc/78/18/15/1003781815.db2.gz	UUOYBPKGCVUIAZ-OLMNPRSZSA-N	1	0	371.485	1.583	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C)CC(=C)C1)C2	ZINC001111001898	1003788893	/nfs/dbraw/zinc/78/88/93/1003788893.db2.gz	MUJPZQCTZUXABN-JJXSEGSLSA-N	1	0	374.485	1.465	20	30		FDEDRO
C#CCCCCC[NH+]1CCN(CCNS(=O)(=O)c2ccccc2)CC1	ZINC000931127767	1003908125	/nfs/dbraw/zinc/90/81/25/1003908125.db2.gz	QBXINGVDYYSMIG-UHFFFAOYSA-N	1	0	363.527	1.776	20	30		FDEDRO
N#CCCCC[NH+]1CCN(CCNS(=O)(=O)c2ccccc2)CC1	ZINC000931130096	1003910887	/nfs/dbraw/zinc/91/08/87/1003910887.db2.gz	IZOVWQAIAAWQDK-UHFFFAOYSA-N	1	0	350.488	1.276	20	30		FDEDRO
C#CC1(O)CC[NH+]([C@@H](C)C(=O)N(C)C[C@H]2COc3ccccc3O2)CC1	ZINC000931143951	1003921486	/nfs/dbraw/zinc/92/14/86/1003921486.db2.gz	NIMCKXKFMNQVPG-HOTGVXAUSA-N	1	0	358.438	1.133	20	30		FDEDRO
C#CC1(O)CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)CC1	ZINC000931144422	1003922129	/nfs/dbraw/zinc/92/21/29/1003922129.db2.gz	XZBCHQMTTPCTGK-GJZGRUSLSA-N	1	0	358.438	1.484	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCC2(Nc3ccc(C#N)cn3)CCOCC2)CC[N@@H+]1C	ZINC001111005800	1003938576	/nfs/dbraw/zinc/93/85/76/1003938576.db2.gz	OAAQJIRGDUCQIS-GDBMZVCRSA-N	1	0	357.458	1.371	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000966511011	1016840418	/nfs/dbraw/zinc/84/04/18/1016840418.db2.gz	MEAPADUHXBNUKI-BFYDXBDKSA-N	1	0	371.485	1.537	20	30		FDEDRO
Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)NCC#CC[NH+](C)C	ZINC000931264554	1004005026	/nfs/dbraw/zinc/00/50/26/1004005026.db2.gz	AJZPNRHVLFYMIA-QGZVFWFLSA-N	1	0	358.442	1.291	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H](OCC2CC[NH+](C[C@H](O)CC#N)CC2)C1	ZINC000931334998	1004065117	/nfs/dbraw/zinc/06/51/17/1004065117.db2.gz	BZZBEZBVXSEOJG-SJORKVTESA-N	1	0	367.490	1.999	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[N@@H+]2CCc3nc(COC)ncc3C2)cc1	ZINC000931378275	1004095823	/nfs/dbraw/zinc/09/58/23/1004095823.db2.gz	AHVGDVFZOJVGOY-UHFFFAOYSA-N	1	0	350.422	1.991	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Nc1cc(F)c(N2CCOCC2)cc1F	ZINC000931409808	1004132813	/nfs/dbraw/zinc/13/28/13/1004132813.db2.gz	QROWZJNOSKWAAN-UHFFFAOYSA-N	1	0	366.412	1.878	20	30		FDEDRO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC(O)(C[NH+](C)C)CC1	ZINC000931483403	1004200201	/nfs/dbraw/zinc/20/02/01/1004200201.db2.gz	CETLYIUPBODHDD-CYBMUJFWSA-N	1	0	364.877	1.927	20	30		FDEDRO
CN(C)c1cc[nH+]c(CNC(=O)C(=O)N(C)Cc2cccc(C#N)c2)c1	ZINC000931603839	1004307043	/nfs/dbraw/zinc/30/70/43/1004307043.db2.gz	VXSQCDPYKSACSN-UHFFFAOYSA-N	1	0	351.410	1.294	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1	ZINC000931613127	1004319781	/nfs/dbraw/zinc/31/97/81/1004319781.db2.gz	WLRYUJFUIUHOOL-CQSZACIVSA-N	1	0	365.437	1.855	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccc(C)c(N3C(=O)CNC3=O)c2)CC1	ZINC000931713986	1004436700	/nfs/dbraw/zinc/43/67/00/1004436700.db2.gz	CAJATCPAHDMVCP-UHFFFAOYSA-N	1	0	369.425	1.270	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C2(C#N)CCSCC2)c1	ZINC000931716851	1004438778	/nfs/dbraw/zinc/43/87/78/1004438778.db2.gz	UNKPVVIWQXSADE-UHFFFAOYSA-N	1	0	374.510	1.631	20	30		FDEDRO
N#Cc1sc(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)nc1Cl	ZINC000931725276	1004448608	/nfs/dbraw/zinc/44/86/08/1004448608.db2.gz	RRSLIYRQRIGOGP-NXEZZACHSA-N	1	0	355.851	1.731	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH+]1CCC(Cc2nc(-c3ccc(F)cn3)no2)CC1	ZINC000932176359	1004810103	/nfs/dbraw/zinc/81/01/03/1004810103.db2.gz	ZFKYYMURFOXHRQ-CYBMUJFWSA-N	1	0	371.416	1.663	20	30		FDEDRO
N#Cc1cc(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c(F)cc1F	ZINC000932208924	1004831182	/nfs/dbraw/zinc/83/11/82/1004831182.db2.gz	KOEMPVAKURHRHF-CVEARBPZSA-N	1	0	350.369	1.899	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1	ZINC000932451785	1004963673	/nfs/dbraw/zinc/96/36/73/1004963673.db2.gz	KGFJBNWQRGZOIW-UHFFFAOYSA-N	1	0	359.470	1.428	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2cnc(OC)c(C#N)c2)CC1	ZINC000932510348	1004993476	/nfs/dbraw/zinc/99/34/76/1004993476.db2.gz	RFUHMTYFFUXUOD-AWEZNQCLSA-N	1	0	360.462	1.357	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ccc(C)n1)C2	ZINC001111035476	1005028324	/nfs/dbraw/zinc/02/83/24/1005028324.db2.gz	BVVRSQZXBHTPMH-KURKYZTESA-N	1	0	371.485	1.114	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)NCC[N@@H+](CC)C(C)C)c1	ZINC000932728301	1005132080	/nfs/dbraw/zinc/13/20/80/1005132080.db2.gz	IPZAUXGKQJBOFG-UHFFFAOYSA-N	1	0	350.484	1.944	20	30		FDEDRO
C[C@H](O)[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F	ZINC000932945564	1005263610	/nfs/dbraw/zinc/26/36/10/1005263610.db2.gz	ZMMZZQSSHTXSTD-RULNZFCNSA-N	1	0	357.241	1.831	20	30		FDEDRO
COC(=O)[C@@H]1CC[N@H+](C[C@H](O)CC2(C#N)CCC2)[C@H]([C@@H]2CCCO2)C1	ZINC000933188930	1005512166	/nfs/dbraw/zinc/51/21/66/1005512166.db2.gz	VBUUGVPYQJRBIL-NCOADZHNSA-N	1	0	350.459	1.864	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCc1ccc(F)cc1)C2	ZINC001111060263	1005636453	/nfs/dbraw/zinc/63/64/53/1005636453.db2.gz	PTEOWGFOCFRBBH-QRVBRYPASA-N	1	0	371.456	1.619	20	30		FDEDRO
CC[N@H+](CCC(=O)NC)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N	ZINC000933864553	1005649790	/nfs/dbraw/zinc/64/97/90/1005649790.db2.gz	ARDWLSDHPSRTBY-AWEZNQCLSA-N	1	0	351.410	1.682	20	30		FDEDRO
COC(=O)[C@H]1C[N@H+](CCOCCC#N)CC12CN(C(=O)OC(C)(C)C)C2	ZINC000934052690	1005680984	/nfs/dbraw/zinc/68/09/84/1005680984.db2.gz	PDTSSICQRFUYBU-CQSZACIVSA-N	1	0	367.446	1.259	20	30		FDEDRO
N#CCSc1ccccc1NC(=O)CN1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO	ZINC000934265181	1005725249	/nfs/dbraw/zinc/72/52/49/1005725249.db2.gz	SKDKUNKRKFEALJ-DLBZAZTESA-N	1	0	374.510	1.772	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COC[C@H]2CCOC2)C3)cc1	ZINC001111087027	1005840798	/nfs/dbraw/zinc/84/07/98/1005840798.db2.gz	FZQDSZYCLJVWMT-NMLBUPMWSA-N	1	0	369.465	1.833	20	30		FDEDRO
Cn1ccc(=O)c(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)c1	ZINC000935271040	1005878649	/nfs/dbraw/zinc/87/86/49/1005878649.db2.gz	OBFOADXWXKCNGC-UHFFFAOYSA-N	1	0	350.422	1.673	20	30		FDEDRO
C#CCn1cc(CNC(=O)CCc2ccc(OCC[NH+](C)C)cc2)cn1	ZINC000935685978	1005959066	/nfs/dbraw/zinc/95/90/66/1005959066.db2.gz	JCVUWPPICYJXMS-UHFFFAOYSA-N	1	0	354.454	1.706	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccnn1C	ZINC001111107445	1006083965	/nfs/dbraw/zinc/08/39/65/1006083965.db2.gz	VCNWFUQUGHFOOY-MKXGPGLRSA-N	1	0	373.501	1.155	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCN2CCOCC2)C3)cc1	ZINC001111152577	1006483067	/nfs/dbraw/zinc/48/30/67/1006483067.db2.gz	ZOSZJLVQPVAKNY-AQNXPRMDSA-N	1	0	368.481	1.502	20	30		FDEDRO
CC(C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)CCCC1	ZINC001111159056	1006528176	/nfs/dbraw/zinc/52/81/76/1006528176.db2.gz	RLZNBBUMXHDRFW-ZACQAIPSSA-N	1	0	360.502	1.954	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC000954381075	1006652483	/nfs/dbraw/zinc/65/24/83/1006652483.db2.gz	SZIOXNSGQJXAHW-IRXDYDNUSA-N	1	0	361.486	1.123	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000954405525	1006724624	/nfs/dbraw/zinc/72/46/24/1006724624.db2.gz	VEGHAWUQLNMSBA-MSOLQXFVSA-N	1	0	368.437	1.598	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)CC)C2	ZINC001111230931	1006987112	/nfs/dbraw/zinc/98/71/12/1006987112.db2.gz	ZACSYRXZWWNHOP-KURKYZTESA-N	1	0	364.534	1.474	20	30		FDEDRO
CC#CC[C@H](CO)[NH2+]Cc1c[nH]nc1CN1C(=O)c2ccccc2C1=O	ZINC000641767297	1007139151	/nfs/dbraw/zinc/13/91/51/1007139151.db2.gz	IJJPAWGDALCYCF-CQSZACIVSA-N	1	0	352.394	1.070	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1	ZINC000159452137	1007196098	/nfs/dbraw/zinc/19/60/98/1007196098.db2.gz	HFNNGMKOZLAZIU-MRXNPFEDSA-N	1	0	357.454	1.731	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCS(=O)(=O)C2)c(OC)c1	ZINC000641966813	1007246525	/nfs/dbraw/zinc/24/65/25/1007246525.db2.gz	RRYBGFINQAUGBI-JKSUJKDBSA-N	1	0	369.483	1.188	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)C23CCC[NH+](CCC2)C3)C1	ZINC000955367787	1007396849	/nfs/dbraw/zinc/39/68/49/1007396849.db2.gz	YYUPKDLAEBAART-SJORKVTESA-N	1	0	361.486	1.123	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1	ZINC000947507878	1007656365	/nfs/dbraw/zinc/65/63/65/1007656365.db2.gz	UQCDBTQHZDKWRQ-NXHRZFHOSA-N	1	0	363.502	1.417	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC000955949675	1007712065	/nfs/dbraw/zinc/71/20/65/1007712065.db2.gz	DIUYVSDCIVXULK-YQQAZPJKSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2	ZINC000956035996	1007795534	/nfs/dbraw/zinc/79/55/34/1007795534.db2.gz	MDQIONNAEGRBKQ-ULQDDVLXSA-N	1	0	361.486	1.171	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)c1	ZINC000956210690	1007942547	/nfs/dbraw/zinc/94/25/47/1007942547.db2.gz	SSTDXXCDFCQUSY-GBESFXJTSA-N	1	0	368.481	1.514	20	30		FDEDRO
Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1C[C@@H](N2CCOCC2)C[C@H]1C	ZINC000795692847	1007979446	/nfs/dbraw/zinc/97/94/46/1007979446.db2.gz	RDJIXVWZKXBGPR-BEFAXECRSA-N	1	0	366.469	1.878	20	30		FDEDRO
CCN1C(=O)CN(CN2CCC(Oc3ccc(C#N)cc3F)CC2)C1=O	ZINC000795714227	1008039973	/nfs/dbraw/zinc/03/99/73/1008039973.db2.gz	OPIBFCNTONSKMQ-UHFFFAOYSA-N	1	0	360.389	1.782	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NC[C@]3(C)CCCC[C@H]3O)=[NH+]C[C@@H]2C1	ZINC000305032909	1008561575	/nfs/dbraw/zinc/56/15/75/1008561575.db2.gz	RQUUOZZYGPFKFA-CLCXKQKWSA-N	1	0	366.506	1.808	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC	ZINC000646292190	1008631787	/nfs/dbraw/zinc/63/17/87/1008631787.db2.gz	PNKOWITWNHFHOM-INIZCTEOSA-N	1	0	374.485	1.733	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccc2c[nH+]cn2c1	ZINC000950218395	1008875172	/nfs/dbraw/zinc/87/51/72/1008875172.db2.gz	KNVRGXFMFHAGRX-SQNIBIBYSA-N	1	0	368.437	1.646	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C[NH+]1CCC(C)CC1	ZINC000950233319	1008917295	/nfs/dbraw/zinc/91/72/95/1008917295.db2.gz	XONRPTSXQXOOKP-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)cc1	ZINC000950255251	1008966206	/nfs/dbraw/zinc/96/62/06/1008966206.db2.gz	JAELAXSPJBWYMA-GBESFXJTSA-N	1	0	353.466	1.729	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1	ZINC000959939381	1009157394	/nfs/dbraw/zinc/15/73/94/1009157394.db2.gz	HYIREISLPXQWCT-ZIIYPAMZSA-N	1	0	352.438	1.019	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000950481321	1009220256	/nfs/dbraw/zinc/22/02/56/1009220256.db2.gz	AWMSNMSVMHCPFL-HLLBOEOZSA-N	1	0	357.458	1.337	20	30		FDEDRO
C#CCOCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCOC[C@@H]1CCCO1)C2	ZINC001111746124	1009334383	/nfs/dbraw/zinc/33/43/83/1009334383.db2.gz	JFOFZAUSZNORMU-BJLQDIEVSA-N	1	0	364.486	1.193	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)CC1	ZINC000796361150	1009414823	/nfs/dbraw/zinc/41/48/23/1009414823.db2.gz	RXDAAVJWDXPTSZ-HKBOAZHASA-N	1	0	367.493	1.268	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1	ZINC001006460101	1009489093	/nfs/dbraw/zinc/48/90/93/1009489093.db2.gz	YOSCAJHQCKWYJA-UAGQMJEPSA-N	1	0	361.486	1.027	20	30		FDEDRO
NC(=O)c1ccc(CNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)cc1	ZINC000303774799	1009576010	/nfs/dbraw/zinc/57/60/10/1009576010.db2.gz	GDKOFWUXYAIEEG-UHFFFAOYSA-N	1	0	355.417	1.562	20	30		FDEDRO
N#Cc1nccnc1NC1CC[NH+](CCNC(=O)[C@]23C[C@H]2CCC3)CC1	ZINC001111331541	1009679377	/nfs/dbraw/zinc/67/93/77/1009679377.db2.gz	MTXPGTQHCICTRR-AUUYWEPGSA-N	1	0	354.458	1.531	20	30		FDEDRO
C=CCOc1ccccc1C(=O)NC[C@H]1CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC000950952590	1010103990	/nfs/dbraw/zinc/10/39/90/1010103990.db2.gz	NGRBTLCXEYOPFR-BRWVUGGUSA-N	1	0	371.481	1.922	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1	ZINC000950971885	1010167546	/nfs/dbraw/zinc/16/75/46/1010167546.db2.gz	OZIDAZBOFWBPJQ-ULQDDVLXSA-N	1	0	361.486	1.171	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H](NC(=O)[C@@H]3C[C@H]3C3CCC3)C2)CC1	ZINC000951079233	1010428921	/nfs/dbraw/zinc/42/89/21/1010428921.db2.gz	STWJIDBTXPLSPE-SLFFLAALSA-N	1	0	371.525	1.875	20	30		FDEDRO
C[NH+]=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCCN1CCOCC1	ZINC000304694462	1010443029	/nfs/dbraw/zinc/44/30/29/1010443029.db2.gz	HYNJTSMQWDXBFA-UHFFFAOYSA-N	1	0	363.462	1.415	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1	ZINC000951112786	1010465047	/nfs/dbraw/zinc/46/50/47/1010465047.db2.gz	BBBUTEDWRSYEDE-SOLBZPMBSA-N	1	0	371.481	1.780	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCCCNC(C)=O)C2	ZINC001111360595	1010678154	/nfs/dbraw/zinc/67/81/54/1010678154.db2.gz	SFQZWEJVVAJIAE-KURKYZTESA-N	1	0	351.491	1.607	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@]2(CO)CCCN(c3ccc(C#N)cn3)C2)CC[N@@H+]1C	ZINC001111371564	1010830779	/nfs/dbraw/zinc/83/07/79/1010830779.db2.gz	JKUUZMBPTCKZEQ-SQGPQFPESA-N	1	0	371.485	1.131	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@]2(CO)CCCN(c3ccc(C#N)nc3)C2)CC[N@@H+]1C	ZINC001111373817	1010843387	/nfs/dbraw/zinc/84/33/87/1010843387.db2.gz	RAZLKLHUKPSLEZ-NSHGMRRFSA-N	1	0	371.485	1.131	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)cc1	ZINC000951524924	1010917263	/nfs/dbraw/zinc/91/72/63/1010917263.db2.gz	SWBNDKAKMCHXHR-ATZDWAIDSA-N	1	0	369.465	1.108	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(NC(N)=O)c1)C2	ZINC001111378288	1010928497	/nfs/dbraw/zinc/92/84/97/1010928497.db2.gz	LUHOAXOPIGSVKG-ZACQAIPSSA-N	1	0	358.442	1.715	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1	ZINC000952067489	1011202998	/nfs/dbraw/zinc/20/29/98/1011202998.db2.gz	YFIWYLCJBRQUQF-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2nnc(C3CC3)[nH]2)C1	ZINC000962416001	1011246525	/nfs/dbraw/zinc/24/65/25/1011246525.db2.gz	LKNVFMDJOMFTOB-WYUQMZMFSA-N	1	0	359.474	1.648	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)C12CCC[NH+](CCC1)C2	ZINC000952179484	1011397805	/nfs/dbraw/zinc/39/78/05/1011397805.db2.gz	ZWLVUMFMLIXFLD-ZACQAIPSSA-N	1	0	361.486	1.171	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1ccnc1	ZINC000952805153	1012052554	/nfs/dbraw/zinc/05/25/54/1012052554.db2.gz	FYECMWBNZLEVFH-TWMKSMIVSA-N	1	0	358.442	1.066	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CCN(C(=O)C#CC4CC4)C3)C2)CC[N@@H+]1C	ZINC000952908638	1012106974	/nfs/dbraw/zinc/10/69/74/1012106974.db2.gz	KQHCFNVHCCAIBY-HGHGUNKESA-N	1	0	357.498	1.581	20	30		FDEDRO
C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1nc2ccccc2c(=O)n1CC#N	ZINC000796429952	1012118476	/nfs/dbraw/zinc/11/84/76/1012118476.db2.gz	QNIPYZLYFUHSJV-HOTGVXAUSA-N	1	0	351.454	1.979	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccnc1N(C)C)C2	ZINC001111405770	1012176178	/nfs/dbraw/zinc/17/61/78/1012176178.db2.gz	CDPMCZVSPIXXKY-SRABZTEZSA-N	1	0	371.485	1.173	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+](CCO)C2)CC1	ZINC000961374601	1012301952	/nfs/dbraw/zinc/30/19/52/1012301952.db2.gz	SMKLNFDVQWSEIA-OTWHNJEPSA-N	1	0	350.503	1.911	20	30		FDEDRO
C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)C1	ZINC000961411366	1012347362	/nfs/dbraw/zinc/34/73/62/1012347362.db2.gz	MGPBNVQXMNHNEP-QYZOEREBSA-N	1	0	359.514	1.862	20	30		FDEDRO
CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)C1	ZINC000961412527	1012348794	/nfs/dbraw/zinc/34/87/94/1012348794.db2.gz	SMDALEMJPHDNNT-QYZOEREBSA-N	1	0	359.514	1.862	20	30		FDEDRO
C=CCCS(=O)(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000718016959	1012350763	/nfs/dbraw/zinc/35/07/63/1012350763.db2.gz	ADPCAXQAGSCCTK-UHFFFAOYSA-N	1	0	352.500	1.899	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]3C2)CC[N@@H+]1C	ZINC000961413558	1012352095	/nfs/dbraw/zinc/35/20/95/1012352095.db2.gz	ZWJPDLKDNZHYIR-CIRFHOKZSA-N	1	0	369.469	1.147	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(c3ncc(C#N)cc3F)CC2)CC[N@@H+]1C	ZINC001066797467	1012384441	/nfs/dbraw/zinc/38/44/41/1012384441.db2.gz	FRHFBZLXANKMOW-FVQBIDKESA-N	1	0	359.449	1.908	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2	ZINC001111415974	1012433689	/nfs/dbraw/zinc/43/36/89/1012433689.db2.gz	CTUOLQVEGXMRFP-MANSERQUSA-N	1	0	374.529	1.112	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(c3nccnc3C#N)CC2)CC[N@@H+]1C	ZINC001066799036	1012533156	/nfs/dbraw/zinc/53/31/56/1012533156.db2.gz	XMPPHPUYKBERMH-HLLBOEOZSA-N	1	0	356.474	1.554	20	30		FDEDRO
N#Cc1ccccc1C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1	ZINC000963789936	1012699848	/nfs/dbraw/zinc/69/98/48/1012699848.db2.gz	FDHDFPKVNHLAIP-UOAXPGHYSA-N	1	0	354.410	1.740	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1cnn(C)n1)C2	ZINC000963815528	1012730217	/nfs/dbraw/zinc/73/02/17/1012730217.db2.gz	HKSNZHVFISQBJE-JUTOSJBISA-N	1	0	359.474	1.313	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2ccc(-c3nncnn3)cc2)CC1	ZINC000650852622	1012842532	/nfs/dbraw/zinc/84/25/32/1012842532.db2.gz	LTIJQZLGGJYGEG-UHFFFAOYSA-N	1	0	353.430	1.383	20	30		FDEDRO
CN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CCC([NH2+]Cc2ccc(C#N)s2)CC1	ZINC000963920605	1012959429	/nfs/dbraw/zinc/95/94/29/1012959429.db2.gz	ZNQVONFUTFZUTH-TUHYSUIHSA-N	1	0	360.483	1.600	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)CC2(C)C)CC[N@@H+]1C	ZINC000967044851	1017078867	/nfs/dbraw/zinc/07/88/67/1017078867.db2.gz	IZUUJWXQVXCTHX-XYPHTWIQSA-N	1	0	371.485	1.583	20	30		FDEDRO
C[C@@H](O)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H](C)CO	ZINC000190847653	178027246	/nfs/dbraw/zinc/02/72/46/178027246.db2.gz	VGCQCWWFYDOPSZ-NWDGAFQWSA-N	1	0	351.472	1.501	20	30		FDEDRO
Cn1cc(C[NH2+]Cc2cccc(OCCN3CCOCC3)c2)cc1C#N	ZINC000190877722	178030273	/nfs/dbraw/zinc/03/02/73/178030273.db2.gz	PQCXYCYSQBTSKP-UHFFFAOYSA-N	1	0	354.454	1.898	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(NS(C)(=O)=O)cc1	ZINC000517082879	539346605	/nfs/dbraw/zinc/34/66/05/539346605.db2.gz	VUIHPHRQAKVSHX-UHFFFAOYSA-N	1	0	352.460	1.366	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000518810985	539448416	/nfs/dbraw/zinc/44/84/16/539448416.db2.gz	DMUVAKYMJCFDHW-OAHLLOKOSA-N	1	0	372.469	1.384	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccnn1CC[NH+](C)C	ZINC000518821047	539450801	/nfs/dbraw/zinc/45/08/01/539450801.db2.gz	LLLJJTFPGHYLNE-UHFFFAOYSA-N	1	0	357.462	1.743	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O	ZINC000264530826	179129129	/nfs/dbraw/zinc/12/91/29/179129129.db2.gz	YNOOTTTXNKFANT-GOSISDBHSA-N	1	0	371.485	1.820	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCCN(c2ccccc2C#N)CC1	ZINC000264853329	179221727	/nfs/dbraw/zinc/22/17/27/179221727.db2.gz	NLRSDEBURDDIDQ-GOSISDBHSA-N	1	0	370.501	1.026	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CCc2ccccc2C(N)=O)c1C#N	ZINC000527475612	539705271	/nfs/dbraw/zinc/70/52/71/539705271.db2.gz	SNVNIKIIPAUEBF-UHFFFAOYSA-N	1	0	354.414	1.104	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C	ZINC000268225492	180029857	/nfs/dbraw/zinc/02/98/57/180029857.db2.gz	REWCYBBVSAOWCX-KPZWWZAWSA-N	1	0	366.469	1.749	20	30		FDEDRO
CC1(N2CCOCC2)CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000528729792	539779963	/nfs/dbraw/zinc/77/99/63/539779963.db2.gz	JNQDOOIRMBOTOK-IBGZPJMESA-N	1	0	373.497	1.679	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)N1CCc2ccc(C#N)cc21)c1cccs1	ZINC000270194800	180458771	/nfs/dbraw/zinc/45/87/71/180458771.db2.gz	ODBMFJAQDTYXBM-MRXNPFEDSA-N	1	0	368.462	1.928	20	30		FDEDRO
CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)C1	ZINC000530232055	539915474	/nfs/dbraw/zinc/91/54/74/539915474.db2.gz	WGQYKUSZIHVGLG-BZUAXINKSA-N	1	0	352.456	1.243	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1	ZINC000424154742	538246664	/nfs/dbraw/zinc/24/66/64/538246664.db2.gz	LUTKWEJNAFMVOW-QGZVFWFLSA-N	1	0	351.410	1.393	20	30		FDEDRO
CN(C(=O)C[N@H+](CC(C)(C)O)C1CCOCC1)C1(C#N)CCCCC1	ZINC000530938978	540072681	/nfs/dbraw/zinc/07/26/81/540072681.db2.gz	RCLYMZZEMBQSNF-UHFFFAOYSA-N	1	0	351.491	1.923	20	30		FDEDRO
C[NH+](C)[C@@]1(CNS(=O)(=O)c2cc(C#N)ccc2Cl)CCSC1	ZINC000274845492	181176008	/nfs/dbraw/zinc/17/60/08/181176008.db2.gz	GCTKBQKQOPXUGP-CQSZACIVSA-N	1	0	359.904	1.927	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)C3(c4cccc(C#N)c4)CC3)C2)CC1	ZINC000533259286	540221346	/nfs/dbraw/zinc/22/13/46/540221346.db2.gz	NGJAJOMRFRGAJC-LJQANCHMSA-N	1	0	352.482	1.828	20	30		FDEDRO
C[C@H]1CN(c2c(C#N)nnc3ccccc32)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000535006523	540437635	/nfs/dbraw/zinc/43/76/35/540437635.db2.gz	TVEAMMIDTURVJL-HNAYVOBHSA-N	1	0	350.470	1.964	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+][C@@H](CN1CCOCC1)c1ccc(C)cc1	ZINC000537040629	540677051	/nfs/dbraw/zinc/67/70/51/540677051.db2.gz	KSOXLCOHSTXIDY-IBGZPJMESA-N	1	0	358.486	1.720	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)CC1	ZINC000538277678	540836256	/nfs/dbraw/zinc/83/62/56/540836256.db2.gz	VDGFEXGIBFXABC-IEBWSBKVSA-N	1	0	374.533	1.789	20	30		FDEDRO
C[C@@]1(F)CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000538392307	540852316	/nfs/dbraw/zinc/85/23/16/540852316.db2.gz	BTOVECMHMUSUKH-PKOBYXMFSA-N	1	0	362.424	1.968	20	30		FDEDRO
CN(CCC#N)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1	ZINC000539337837	540948853	/nfs/dbraw/zinc/94/88/53/540948853.db2.gz	XGCNPDUCMYEZIL-UHFFFAOYSA-N	1	0	352.822	1.591	20	30		FDEDRO
C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1cccc(S(N)(=O)=O)c1	ZINC000540469372	541063564	/nfs/dbraw/zinc/06/35/64/541063564.db2.gz	PAGAWIRADKMKOR-ZDUSSCGKSA-N	1	0	372.450	1.885	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1	ZINC000269201944	674107476	/nfs/dbraw/zinc/10/74/76/674107476.db2.gz	MVUAMJNEOMSFBX-UKRRQHHQSA-N	1	0	351.472	1.269	20	30		FDEDRO
COC(=O)c1ccccc1OCC[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000542971267	541511592	/nfs/dbraw/zinc/51/15/92/541511592.db2.gz	SXZFSUZRTGMWBU-UHFFFAOYSA-N	1	0	357.414	1.594	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@H](CC(N)=O)C2CCOCC2)c(OC(F)F)c1	ZINC000544461042	541770847	/nfs/dbraw/zinc/77/08/47/541770847.db2.gz	DZCSIXSLETXMQZ-CQSZACIVSA-N	1	0	353.369	1.920	20	30		FDEDRO
CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1	ZINC000283504999	182199875	/nfs/dbraw/zinc/19/98/75/182199875.db2.gz	AZRHRQYZPVPPEP-MRXNPFEDSA-N	1	0	374.485	1.552	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC000545295003	541927588	/nfs/dbraw/zinc/92/75/88/541927588.db2.gz	IDZVDKFJFKPTJA-CQSZACIVSA-N	1	0	359.430	1.276	20	30		FDEDRO
C[NH+](C)CCCOC1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)CC1	ZINC000283905771	182311279	/nfs/dbraw/zinc/31/12/79/182311279.db2.gz	IFMUQPWPQZHJBT-UHFFFAOYSA-N	1	0	372.469	1.134	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)c1ccc(C#N)cc1	ZINC000284086521	182360781	/nfs/dbraw/zinc/36/07/81/182360781.db2.gz	SHHHCBLQABLEHA-WBAXXEDZSA-N	1	0	354.454	1.678	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C	ZINC000546003511	542072504	/nfs/dbraw/zinc/07/25/04/542072504.db2.gz	RFMSETYPCRUJHW-INIZCTEOSA-N	1	0	360.458	1.988	20	30		FDEDRO
CC(C)N1C(=O)N[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)CC[C@@H]21	ZINC000286158375	183001285	/nfs/dbraw/zinc/00/12/85/183001285.db2.gz	YLGYJCCNSQBNMS-SJORKVTESA-N	1	0	355.442	1.763	20	30		FDEDRO
Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN(C)CCC(N)=O)c1C#N	ZINC000286381161	183051870	/nfs/dbraw/zinc/05/18/70/183051870.db2.gz	ILBVFJDBTSCZBV-UHFFFAOYSA-N	1	0	367.453	1.771	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)n1	ZINC000287120598	183216945	/nfs/dbraw/zinc/21/69/45/183216945.db2.gz	ZDPKKBUIRZBQDE-INIZCTEOSA-N	1	0	353.430	1.286	20	30		FDEDRO
C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000292548125	183915362	/nfs/dbraw/zinc/91/53/62/183915362.db2.gz	JYAAQUYDLPHOCN-ZDUSSCGKSA-N	1	0	354.451	1.002	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)NCC[N@@H+]3CCCOCC3)CC2)cc1	ZINC000296998606	184223921	/nfs/dbraw/zinc/22/39/21/184223921.db2.gz	IDHVFVWZXWPZRG-UHFFFAOYSA-N	1	0	372.469	1.833	20	30		FDEDRO
COCC[NH2+]CCCNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N	ZINC000297133346	184237512	/nfs/dbraw/zinc/23/75/12/184237512.db2.gz	XOLVBLQQYSOUOX-UHFFFAOYSA-N	1	0	366.487	1.598	20	30		FDEDRO
CC[N@H+](CCO)CCNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N	ZINC000297588443	184292456	/nfs/dbraw/zinc/29/24/56/184292456.db2.gz	ZKRPCCUDBFOETP-UHFFFAOYSA-N	1	0	366.487	1.286	20	30		FDEDRO
C[N@@H+]1CC[C@](O)(CNC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1	ZINC000547296684	542303848	/nfs/dbraw/zinc/30/38/48/542303848.db2.gz	LSZLDXFYUWEFKD-RJYAGPCLSA-N	1	0	373.457	1.009	20	30		FDEDRO
CC(C)[N@H+](C)Cc1ccccc1CNc1c(C#N)c(=O)n(C)c(=O)n1C	ZINC000052243868	221038269	/nfs/dbraw/zinc/03/82/69/221038269.db2.gz	YHCVCSXFXHNIOI-UHFFFAOYSA-N	1	0	355.442	1.408	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)[C@H](C)C1	ZINC000119848346	258260534	/nfs/dbraw/zinc/26/05/34/258260534.db2.gz	GIDLOTVQOGMANT-HIFRSBDPSA-N	1	0	374.489	1.637	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1	ZINC000120742679	258261372	/nfs/dbraw/zinc/26/13/72/258261372.db2.gz	WZBSVZRRIGRKIM-UHFFFAOYSA-N	1	0	363.421	1.673	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](N3CC[NH+](CC4CCOCC4)CC3)C2=O)cc1	ZINC000172422461	258276062	/nfs/dbraw/zinc/27/60/62/258276062.db2.gz	SXEILZYNUCFYPI-HXUWFJFHSA-N	1	0	368.481	1.708	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccc(C#N)cc1	ZINC000548930869	542809213	/nfs/dbraw/zinc/80/92/13/542809213.db2.gz	BEWRHLLBKGXEQQ-LBPRGKRZSA-N	1	0	358.423	1.495	20	30		FDEDRO
CC[NH+](CC)CCNC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000549945077	542974864	/nfs/dbraw/zinc/97/48/64/542974864.db2.gz	YCBTVDSXIJMCSP-UHFFFAOYSA-N	1	0	372.469	1.386	20	30		FDEDRO
C[NH+](C)Cc1cc(CNC(=O)C(=O)Nc2ccc(C#N)cn2)ccc1F	ZINC000550810325	543179349	/nfs/dbraw/zinc/17/93/49/543179349.db2.gz	OZRYLLJIKZBVMD-UHFFFAOYSA-N	1	0	355.373	1.409	20	30		FDEDRO
N#CCCCCNC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1	ZINC000550915215	543198753	/nfs/dbraw/zinc/19/87/53/543198753.db2.gz	YNQDISKEZXISPE-UHFFFAOYSA-N	1	0	360.433	1.716	20	30		FDEDRO
N#Cc1cnn2c1NC[C@H](C[NH2+]C[C@@H]1C[C@@H](O)CN1Cc1ccccc1)C2	ZINC000550977911	543209776	/nfs/dbraw/zinc/20/97/76/543209776.db2.gz	KSODUTSBWCRJLU-YTQUADARSA-N	1	0	366.469	1.021	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000551604814	543309872	/nfs/dbraw/zinc/30/98/72/543309872.db2.gz	OAMXFUQMRYRGBV-FQEVSTJZSA-N	1	0	350.422	1.629	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1	ZINC000551692050	543322649	/nfs/dbraw/zinc/32/26/49/543322649.db2.gz	AFSGCXQRWIGXQA-CKEIUWERSA-N	1	0	370.453	1.694	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CCCC)CC1	ZINC000552851825	543526831	/nfs/dbraw/zinc/52/68/31/543526831.db2.gz	UKFNUILWMVDKFA-DOTOQJQBSA-N	1	0	351.491	1.465	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1	ZINC000052499031	171943863	/nfs/dbraw/zinc/94/38/63/171943863.db2.gz	QGIYVHWOEJXQKV-UHFFFAOYSA-N	1	0	356.474	1.658	20	30		FDEDRO
CS(=O)(=O)NCC[NH2+]Cc1cccc(OCc2ccccc2C#N)c1	ZINC000066905462	172002027	/nfs/dbraw/zinc/00/20/27/172002027.db2.gz	NQCWHHQBUSRRIH-UHFFFAOYSA-N	1	0	359.451	1.776	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1	ZINC000077817009	172138691	/nfs/dbraw/zinc/13/86/91/172138691.db2.gz	HUMHCAYHWKURNI-NSHDSACASA-N	1	0	352.341	1.166	20	30		FDEDRO
Cc1nc(C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)ccc1C#N	ZINC000089962745	172254382	/nfs/dbraw/zinc/25/43/82/172254382.db2.gz	NOHDJBLRZYNNLG-ROUUACIJSA-N	1	0	350.422	1.627	20	30		FDEDRO
COCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(C#N)cc1	ZINC000090521308	172265243	/nfs/dbraw/zinc/26/52/43/172265243.db2.gz	ZBIHLWGQKQOJSD-UHFFFAOYSA-N	1	0	356.382	1.777	20	30		FDEDRO
CC1CC[NH+](CCNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1	ZINC000091193945	172276846	/nfs/dbraw/zinc/27/68/46/172276846.db2.gz	KUFZCJGLUFNWRA-UHFFFAOYSA-N	1	0	360.462	1.296	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)ccc1F	ZINC000102963946	172357594	/nfs/dbraw/zinc/35/75/94/172357594.db2.gz	XZTOPVLYDSTHPL-UHFFFAOYSA-N	1	0	374.416	1.207	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)Nc3ccc(F)c(C#N)c3)CC2)CCO1	ZINC000102964152	172357936	/nfs/dbraw/zinc/35/79/36/172357936.db2.gz	SOUSNDLHYKTKIH-ZDUSSCGKSA-N	1	0	374.416	1.348	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)ccc1F	ZINC000112218974	172570677	/nfs/dbraw/zinc/57/06/77/172570677.db2.gz	DQADCPTUPBZTNV-CQSZACIVSA-N	1	0	374.416	1.207	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000124849342	172984495	/nfs/dbraw/zinc/98/44/95/172984495.db2.gz	GFIUYACSVOILHL-QGZVFWFLSA-N	1	0	362.499	1.349	20	30		FDEDRO
C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)C[C@H](O)c1ccc(C#N)cc1	ZINC000126007046	173025276	/nfs/dbraw/zinc/02/52/76/173025276.db2.gz	PVRRDMWFPNBYGI-ACJLOTCBSA-N	1	0	359.451	1.932	20	30		FDEDRO
N#Cc1cnn(-c2ccc(C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)cc2)c1N	ZINC000127067909	173063428	/nfs/dbraw/zinc/06/34/28/173063428.db2.gz	XFHOUELGGDIJEF-HNNXBMFYSA-N	1	0	364.453	1.884	20	30		FDEDRO
Cn1ccnc1CC1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1	ZINC000127275491	173069935	/nfs/dbraw/zinc/06/99/35/173069935.db2.gz	FFGAJHFYKMGITR-UHFFFAOYSA-N	1	0	365.437	1.503	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H](C1CC1)[NH+]1CCCC1	ZINC000127850824	173091723	/nfs/dbraw/zinc/09/17/23/173091723.db2.gz	GAYGTTBYOJKXNX-RHSMWYFYSA-N	1	0	354.458	1.260	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000151651709	173408213	/nfs/dbraw/zinc/40/82/13/173408213.db2.gz	TUZNRCHIFSVSPD-AWEZNQCLSA-N	1	0	366.487	1.073	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)Nc3ccc(F)cc3C#N)CC2)CCO1	ZINC000175966246	174040879	/nfs/dbraw/zinc/04/08/79/174040879.db2.gz	CLRKNTCALJPTFS-ZDUSSCGKSA-N	1	0	374.416	1.348	20	30		FDEDRO
C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1	ZINC000177496473	174136765	/nfs/dbraw/zinc/13/67/65/174136765.db2.gz	PBMHJSXJLCNHLD-DLBZAZTESA-N	1	0	363.483	1.462	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N(C)CCN(C)C1CC[NH+](C)CC1	ZINC000181061940	174205236	/nfs/dbraw/zinc/20/52/36/174205236.db2.gz	LYKIXCXRQGPRMO-UHFFFAOYSA-N	1	0	364.515	1.513	20	30		FDEDRO
CCc1nnc(C2CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)[nH]1	ZINC000190643549	258389721	/nfs/dbraw/zinc/38/97/21/258389721.db2.gz	QWJIOJXJTTUBCI-INIZCTEOSA-N	1	0	355.442	1.858	20	30		FDEDRO
CC[C@@H]1CN(CCNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CCO1	ZINC000553207444	543587652	/nfs/dbraw/zinc/58/76/52/543587652.db2.gz	KUJXYBZUKVJUIX-DLBZAZTESA-N	1	0	374.460	1.751	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCc3cc(OCC)ccc3C2)CC1	ZINC000553330070	543610487	/nfs/dbraw/zinc/61/04/87/543610487.db2.gz	WTDFKANMLYVXMF-UHFFFAOYSA-N	1	0	371.481	1.737	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@]1(C)CCCO1	ZINC000553898774	543714188	/nfs/dbraw/zinc/71/41/88/543714188.db2.gz	DABMQDMWQAWEGJ-HXUWFJFHSA-N	1	0	372.469	1.134	20	30		FDEDRO
Cc1onc(CC(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)c1C#N	ZINC000554588871	543830964	/nfs/dbraw/zinc/83/09/64/543830964.db2.gz	SGCVDVRGNYMIKI-UHFFFAOYSA-N	1	0	350.419	1.129	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1	ZINC000554714975	543859094	/nfs/dbraw/zinc/85/90/94/543859094.db2.gz	DWRWAXWHDOJQOY-DLBZAZTESA-N	1	0	351.491	1.295	20	30		FDEDRO
N#CCCN(C(=O)C[NH2+][C@@H](C1CC1)[C@@]1(CO)CCCO1)c1ccccc1	ZINC000555761964	544024522	/nfs/dbraw/zinc/02/45/22/544024522.db2.gz	RTUSOFVGLJFUQP-PMACEKPBSA-N	1	0	357.454	1.843	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1	ZINC000556125528	544101536	/nfs/dbraw/zinc/10/15/36/544101536.db2.gz	ODRVNTHKEPHYOY-UHFFFAOYSA-N	1	0	359.470	1.212	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCCO[C@@H](C)C1)C(C)C	ZINC000556206222	544117757	/nfs/dbraw/zinc/11/77/57/544117757.db2.gz	JVSBDNVKLWDJJQ-IRXDYDNUSA-N	1	0	351.491	1.439	20	30		FDEDRO
C=CCN(CCC#N)C(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1	ZINC000556299691	544128898	/nfs/dbraw/zinc/12/88/98/544128898.db2.gz	PUYRLYVYCVEJFQ-UHFFFAOYSA-N	1	0	369.469	1.695	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1	ZINC000556482752	544148064	/nfs/dbraw/zinc/14/80/64/544148064.db2.gz	JTPSCXYAGXDPKC-JCKWVBRZSA-N	1	0	354.454	1.994	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000557184612	544258864	/nfs/dbraw/zinc/25/88/64/544258864.db2.gz	VXPIBCQGUPTJCH-MFNRNEDNSA-N	1	0	357.458	1.940	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCO[C@@H](c3cccs3)C2)CC1	ZINC000557733879	544338125	/nfs/dbraw/zinc/33/81/25/544338125.db2.gz	NHKCIVAYVOXKTH-OAHLLOKOSA-N	1	0	363.483	1.415	20	30		FDEDRO
Cn1c([C@H]2CCOC2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000558445438	544434684	/nfs/dbraw/zinc/43/46/84/544434684.db2.gz	XYHAMPNTMXMTRG-SFHVURJKSA-N	1	0	366.469	1.903	20	30		FDEDRO
N#C[C@@H]1CN(S(=O)(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CCO1	ZINC000558594115	544477038	/nfs/dbraw/zinc/47/70/38/544477038.db2.gz	DIBYXXYLYSAUFM-MRXNPFEDSA-N	1	0	370.519	1.091	20	30		FDEDRO
Cc1ccc([C@H](C[NH2+]Cc2cnc3c(C#N)cnn3c2)N2CCOCC2)o1	ZINC000559273743	544622269	/nfs/dbraw/zinc/62/22/69/544622269.db2.gz	WDMYXXMTTBPNRJ-KRWDZBQOSA-N	1	0	366.425	1.666	20	30		FDEDRO
COC(=O)c1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c[nH]1	ZINC000559544773	544721181	/nfs/dbraw/zinc/72/11/81/544721181.db2.gz	WNDKOOBERKENTK-UHFFFAOYSA-N	1	0	354.410	1.877	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH2+][C@H](C3CC3)[C@@]3(CO)CCCO3)C2=O)cc1	ZINC000559465814	544697209	/nfs/dbraw/zinc/69/72/09/544697209.db2.gz	BYAMRPQZLAXTBT-ZVDOUQERSA-N	1	0	369.465	1.963	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@@H](C)OC[C@H]1C)C(C)C	ZINC000559865020	544825697	/nfs/dbraw/zinc/82/56/97/544825697.db2.gz	ORUGKTFEMJKUAI-BRWVUGGUSA-N	1	0	351.491	1.437	20	30		FDEDRO
C[C@H](C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)n1cnc(C#N)n1	ZINC000560142872	544896088	/nfs/dbraw/zinc/89/60/88/544896088.db2.gz	VUUHHJUNIVJKOO-CQSZACIVSA-N	1	0	368.441	1.500	20	30		FDEDRO
CCCN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000289192543	258804839	/nfs/dbraw/zinc/80/48/39/258804839.db2.gz	UGXQSMYKGVNKFX-UHFFFAOYSA-N	1	0	354.454	1.782	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(c2nc3c(cc2C#N)CCCC3)CC1	ZINC000301900535	259035884	/nfs/dbraw/zinc/03/58/84/259035884.db2.gz	UVJHSRRWIXOCOV-UHFFFAOYSA-N	1	0	355.486	1.822	20	30		FDEDRO
C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)Cc2cc(C#N)ccc2F)C1	ZINC000329140018	259080065	/nfs/dbraw/zinc/08/00/65/259080065.db2.gz	STJRDGJUYXIIOR-YOEHRIQHSA-N	1	0	351.447	1.943	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)Cc2cc(C#N)ccc2F)C[C@@H]1[NH+](C)C	ZINC000330567337	259150824	/nfs/dbraw/zinc/15/08/24/259150824.db2.gz	CREJZLMREWTSGX-LSDHHAIUSA-N	1	0	357.476	1.505	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2C#N)C[C@H]1[NH+](C)C	ZINC000330599506	259152428	/nfs/dbraw/zinc/15/24/28/259152428.db2.gz	XPCNUEDDNGULKM-CHWSQXEVSA-N	1	0	359.904	1.878	20	30		FDEDRO
CC1CC[NH+](C[C@H](O)CNS(=O)(=O)c2cc(C#N)ccc2Cl)CC1	ZINC000331036521	259173823	/nfs/dbraw/zinc/17/38/23/259173823.db2.gz	ACTBEGBHVLUHGQ-CQSZACIVSA-N	1	0	371.890	1.583	20	30		FDEDRO
Cc1cc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c(C#N)cc1N(C)C	ZINC000331249392	259183067	/nfs/dbraw/zinc/18/30/67/259183067.db2.gz	YENWUSYLILCKLQ-LSDHHAIUSA-N	1	0	359.474	1.852	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2cccc(C#N)c2)C[C@H]1[NH+]1CCCC1	ZINC000332070238	259238649	/nfs/dbraw/zinc/23/86/49/259238649.db2.gz	BPCWLWZEWAQEKA-CVEARBPZSA-N	1	0	351.497	1.759	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC[C@@H]1[NH3+]	ZINC000332539406	259275208	/nfs/dbraw/zinc/27/52/08/259275208.db2.gz	KISBFVLESMBILK-KSSFIOAISA-N	1	0	352.438	1.370	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)c1	ZINC000333222496	259324436	/nfs/dbraw/zinc/32/44/36/259324436.db2.gz	AHGDEHVYSKWMBT-UHFFFAOYSA-N	1	0	370.272	1.837	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1	ZINC000333559490	259359267	/nfs/dbraw/zinc/35/92/67/259359267.db2.gz	WCTFNVQDFKWDIC-RDJZCZTQSA-N	1	0	370.453	1.138	20	30		FDEDRO
CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000363966423	259692793	/nfs/dbraw/zinc/69/27/93/259692793.db2.gz	QVHMFKPOQQLIEW-MAUKXSAKSA-N	1	0	356.470	1.896	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCC3CC[NH+](C)CC3)C2)n1	ZINC000365772582	259875717	/nfs/dbraw/zinc/87/57/17/259875717.db2.gz	FITGTRSPLFILRJ-SFHVURJKSA-N	1	0	355.486	1.936	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2c3ccccc3CC[C@@H]2CO)nc1	ZINC000367986832	260119259	/nfs/dbraw/zinc/11/92/59/260119259.db2.gz	CASIBBSKNRBPQA-VQIMIIECSA-N	1	0	371.462	1.613	20	30		FDEDRO
COC(=O)c1cn([C@H]2CC[N@H+](CCC(=O)Nc3sccc3C#N)C2)nn1	ZINC000368855888	260249447	/nfs/dbraw/zinc/24/94/47/260249447.db2.gz	UJZVOAAYOVXEOA-LBPRGKRZSA-N	1	0	374.426	1.273	20	30		FDEDRO
COCCC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1	ZINC000368921517	260261248	/nfs/dbraw/zinc/26/12/48/260261248.db2.gz	PMGDFVJWTIODOQ-UHFFFAOYSA-N	1	0	362.405	1.207	20	30		FDEDRO
C[C@H](CO)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000368951788	260265964	/nfs/dbraw/zinc/26/59/64/260265964.db2.gz	RYSUCZBHUXOLQG-GFCCVEGCSA-N	1	0	364.833	1.065	20	30		FDEDRO
CC(=O)c1ccc(OC[C@H](O)C[NH+]2CCC(n3cnc(C#N)n3)CC2)cc1	ZINC000369085952	260293413	/nfs/dbraw/zinc/29/34/13/260293413.db2.gz	UIBXUWXSBRLBQO-QGZVFWFLSA-N	1	0	369.425	1.429	20	30		FDEDRO
CCC[NH+]1CCN(C2CCN(C(=O)COc3ccc(C#N)cc3)CC2)CC1	ZINC000369157779	260304645	/nfs/dbraw/zinc/30/46/45/260304645.db2.gz	UNMZXQJBCLYQPN-UHFFFAOYSA-N	1	0	370.497	1.956	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N3CC[NH+](C4CCC4)CC3)CC2)nc1	ZINC000369306499	260336791	/nfs/dbraw/zinc/33/67/91/260336791.db2.gz	IISZMCMLSAQAFQ-UHFFFAOYSA-N	1	0	368.485	1.802	20	30		FDEDRO
N#Cc1ccccc1/C=C/C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000369355114	260346883	/nfs/dbraw/zinc/34/68/83/260346883.db2.gz	OVAWWWMASPJPTG-ZMBJWTFHSA-N	1	0	354.454	1.094	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)c2ccccc2C#N)CCN1C1CC[NH+](C)CC1	ZINC000374271447	261103439	/nfs/dbraw/zinc/10/34/39/261103439.db2.gz	ODPSJIBZYJOJQS-HNNXBMFYSA-N	1	0	362.499	1.347	20	30		FDEDRO
CN(C)c1noc([C@@H]2CCC[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)n1	ZINC000374532764	261149002	/nfs/dbraw/zinc/14/90/02/261149002.db2.gz	ZYSDCWYTQLXSQA-HZPDHXFCSA-N	1	0	371.441	1.627	20	30		FDEDRO
COC(=O)c1cn([C@@H]2CCC[N@H+](CCOc3ccccc3C#N)C2)nn1	ZINC000375153881	261277404	/nfs/dbraw/zinc/27/74/04/261277404.db2.gz	QSBRHPUUWYESRM-OAHLLOKOSA-N	1	0	355.398	1.652	20	30		FDEDRO
Cc1sc(NC(=O)CN2CCC[N@@H+]([C@@H](C)CO)CC2)c(C#N)c1C	ZINC000375502033	261355968	/nfs/dbraw/zinc/35/59/68/261355968.db2.gz	PNSLYXDKQRVDLZ-LBPRGKRZSA-N	1	0	350.488	1.564	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1=O)c1ccc(C#N)s1	ZINC000378573419	262046809	/nfs/dbraw/zinc/04/68/09/262046809.db2.gz	ZESIICOFXMSJAG-GOEBONIOSA-N	1	0	362.499	1.594	20	30		FDEDRO
COCC[N@H+](C)CC[C@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)c1ccccc1	ZINC000409661830	262131375	/nfs/dbraw/zinc/13/13/75/262131375.db2.gz	DVSVWVLEJQNUCG-WBVHZDCISA-N	1	0	370.457	1.537	20	30		FDEDRO
C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1ccn(-c2cccc(C#N)c2)n1	ZINC000409726452	262137081	/nfs/dbraw/zinc/13/70/81/262137081.db2.gz	HMMYWGGBMBNWRR-SFHVURJKSA-N	1	0	367.453	1.927	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@@H]1[NH+](C)C	ZINC000271099699	674309506	/nfs/dbraw/zinc/30/95/06/674309506.db2.gz	MRRMZIMAHKKVJE-QWHCGFSZSA-N	1	0	361.439	1.503	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2c[nH]nc2-c2cccnc2)c1C#N	ZINC000534060310	490312828	/nfs/dbraw/zinc/31/28/28/490312828.db2.gz	YTKBRNXJMIXARP-UHFFFAOYSA-N	1	0	350.386	1.471	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)nn1CCC#N	ZINC000504558162	490804647	/nfs/dbraw/zinc/80/46/47/490804647.db2.gz	BAVYTAFSZOROKH-HIFRSBDPSA-N	1	0	360.462	1.423	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000542843481	490912168	/nfs/dbraw/zinc/91/21/68/490912168.db2.gz	MNZSJQGIDDKTQP-CYBMUJFWSA-N	1	0	371.420	1.250	20	30		FDEDRO
Cn1cc(C#N)c(NC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)n1	ZINC000610563592	492252122	/nfs/dbraw/zinc/25/21/22/492252122.db2.gz	BUESOAFQMSIEPA-UHFFFAOYSA-N	1	0	367.457	1.231	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](C)[NH+](CC)CC)c1	ZINC000042483044	519692005	/nfs/dbraw/zinc/69/20/05/519692005.db2.gz	LKOZOKGZNKJKMV-CQSZACIVSA-N	1	0	353.488	1.611	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(C(=O)NCCCOC)CC1	ZINC000056307674	521832544	/nfs/dbraw/zinc/83/25/44/521832544.db2.gz	KUEABHBXPLIGRQ-MRXNPFEDSA-N	1	0	351.491	1.440	20	30		FDEDRO
COC(=O)CCCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000043162510	521833798	/nfs/dbraw/zinc/83/37/98/521833798.db2.gz	JJVDGRBLIIVOEC-UHFFFAOYSA-N	1	0	358.442	1.729	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[NH+](C2CCCC2)CC1	ZINC000045084572	522033761	/nfs/dbraw/zinc/03/37/61/522033761.db2.gz	RYSIRNPDKVPHSA-UHFFFAOYSA-N	1	0	356.470	1.883	20	30		FDEDRO
CC(C)NC(=O)CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000045576222	522116753	/nfs/dbraw/zinc/11/67/53/522116753.db2.gz	BAKMVMFMSAZXDM-UHFFFAOYSA-N	1	0	371.485	1.690	20	30		FDEDRO
CC(C)NC(=O)CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000045575895	522117463	/nfs/dbraw/zinc/11/74/63/522117463.db2.gz	SZTBLAMMAMJXFA-UHFFFAOYSA-N	1	0	359.474	1.546	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1	ZINC000058451046	522260728	/nfs/dbraw/zinc/26/07/28/522260728.db2.gz	LTFCVDXSPVZCKD-UHFFFAOYSA-N	1	0	357.458	1.788	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C	ZINC000046429753	522295683	/nfs/dbraw/zinc/29/56/83/522295683.db2.gz	WLSAZFIEYGCMPL-MRXNPFEDSA-N	1	0	354.458	1.751	20	30		FDEDRO
N#CCSCC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	ZINC000058886577	522312144	/nfs/dbraw/zinc/31/21/44/522312144.db2.gz	ZYDHQLHOGGRGLS-UHFFFAOYSA-N	1	0	352.504	1.084	20	30		FDEDRO
CCN(CC)C(=O)CN1CCC[N@H+](CCOc2ccc(C#N)cc2)CC1	ZINC000046598307	522324813	/nfs/dbraw/zinc/32/48/13/522324813.db2.gz	BDFZZGGJAYPNFE-UHFFFAOYSA-N	1	0	358.486	1.813	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCC[N@H+]2CCCC[C@H]2C)c1	ZINC000046857686	522368488	/nfs/dbraw/zinc/36/84/88/522368488.db2.gz	GIJBDKWLTQFZCB-OAHLLOKOSA-N	1	0	365.499	1.755	20	30		FDEDRO
C[C@H](Cn1ccnc1)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000047028133	522426989	/nfs/dbraw/zinc/42/69/89/522426989.db2.gz	VONRKVSFLOJENK-MRXNPFEDSA-N	1	0	354.458	1.917	20	30		FDEDRO
CC(C)c1noc(CO[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)n1	ZINC000072921418	522427648	/nfs/dbraw/zinc/42/76/48/522427648.db2.gz	QZLFGQTXWXVNOU-UHFFFAOYSA-N	1	0	359.430	1.991	20	30		FDEDRO
C=CCNC(=O)CN1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1	ZINC000063914062	522670073	/nfs/dbraw/zinc/67/00/73/522670073.db2.gz	MTTNNMOJSHVQOQ-UHFFFAOYSA-N	1	0	370.497	1.342	20	30		FDEDRO
COc1ccc(N2C[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)CC2=O)cc1	ZINC000064361241	522707291	/nfs/dbraw/zinc/70/72/91/522707291.db2.gz	QDNGZTVAZAATPS-INIZCTEOSA-N	1	0	372.469	1.742	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)COc1ccc2c(c1)CCC(=O)N2	ZINC000064361351	522707314	/nfs/dbraw/zinc/70/73/14/522707314.db2.gz	AEBFSLQARJONTN-UHFFFAOYSA-N	1	0	358.442	1.644	20	30		FDEDRO
CCNS(=O)(=O)c1ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cc1	ZINC000064381319	522710148	/nfs/dbraw/zinc/71/01/48/522710148.db2.gz	DNDFVODGHARHHT-UHFFFAOYSA-N	1	0	366.487	1.292	20	30		FDEDRO
CCN(C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)[C@@H](C)c1ccc(C#N)cc1	ZINC000074228073	522721924	/nfs/dbraw/zinc/72/19/24/522721924.db2.gz	GGDDZDUYRKOQLJ-MAUKXSAKSA-N	1	0	356.470	1.878	20	30		FDEDRO
CCCCNC(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000065253638	522797190	/nfs/dbraw/zinc/79/71/90/522797190.db2.gz	RHARLMTZYZNTTI-ZWKOTPCHSA-N	1	0	359.470	1.926	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1	ZINC000050176974	522899979	/nfs/dbraw/zinc/89/99/79/522899979.db2.gz	FRGAGCALZDTWMB-UHFFFAOYSA-N	1	0	358.442	1.838	20	30		FDEDRO
CCNC(NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)=[NH+]CC	ZINC000076105326	523021592	/nfs/dbraw/zinc/02/15/92/523021592.db2.gz	TVDVSNLODGUIFO-UHFFFAOYSA-N	1	0	357.437	1.973	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1	ZINC000076318132	523078187	/nfs/dbraw/zinc/07/81/87/523078187.db2.gz	WXAIDWDBJLMXIF-AWEZNQCLSA-N	1	0	356.426	1.637	20	30		FDEDRO
Cc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c(C#N)c1C	ZINC000052162209	523130105	/nfs/dbraw/zinc/13/01/05/523130105.db2.gz	QZSVBNTUJQFCTN-UHFFFAOYSA-N	1	0	370.501	1.784	20	30		FDEDRO
CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC)C1	ZINC000076659540	523160496	/nfs/dbraw/zinc/16/04/96/523160496.db2.gz	UNFLKBNOBFDZPW-HNNXBMFYSA-N	1	0	358.442	1.696	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]([NH+](CC)CC)C2)cc1	ZINC000076667653	523164895	/nfs/dbraw/zinc/16/48/95/523164895.db2.gz	AAGHIHPXPWUNIE-KRWDZBQOSA-N	1	0	372.469	1.484	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)cc1	ZINC000052645850	523224528	/nfs/dbraw/zinc/22/45/28/523224528.db2.gz	JJFKHAMKOKSHSJ-UHFFFAOYSA-N	1	0	372.469	1.532	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)CC2)c1	ZINC000076984218	523224839	/nfs/dbraw/zinc/22/48/39/523224839.db2.gz	QGLIBIMGOOOHIY-QGZVFWFLSA-N	1	0	368.485	1.802	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1	ZINC000077039710	523241644	/nfs/dbraw/zinc/24/16/44/523241644.db2.gz	DULRAIQVLLCQLZ-GOSISDBHSA-N	1	0	368.481	1.572	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)cc1	ZINC000052730859	523257822	/nfs/dbraw/zinc/25/78/22/523257822.db2.gz	JGGBDWJKJJDHPD-HNNXBMFYSA-N	1	0	372.469	1.389	20	30		FDEDRO
COCC[N@H+](C)CCNC(=O)CSc1nc(C)c(C)c(C)c1C#N	ZINC000067273746	523374620	/nfs/dbraw/zinc/37/46/20/523374620.db2.gz	SPDMVFSWJXQAEW-UHFFFAOYSA-N	1	0	350.488	1.665	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)c1	ZINC000067347079	523397726	/nfs/dbraw/zinc/39/77/26/523397726.db2.gz	WNZAPVRCGFSEHZ-UHFFFAOYSA-N	1	0	361.442	1.419	20	30		FDEDRO
C[NH+](C)CCNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	ZINC000077761767	523453218	/nfs/dbraw/zinc/45/32/18/523453218.db2.gz	NBMVOTJCMWUNID-UHFFFAOYSA-N	1	0	352.394	1.967	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](C)C1	ZINC000077817426	523473589	/nfs/dbraw/zinc/47/35/89/523473589.db2.gz	JVDCDOOUJWQMGO-KGLIPLIRSA-N	1	0	360.483	1.945	20	30		FDEDRO
CC[N@@H+]1CCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1	ZINC000078596864	523612747	/nfs/dbraw/zinc/61/27/47/523612747.db2.gz	NKXXJUTVTPXPFV-UHFFFAOYSA-N	1	0	364.471	1.046	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCCC1	ZINC000054850591	523709410	/nfs/dbraw/zinc/70/94/10/523709410.db2.gz	NLPYBTCFRJPJDE-AWEZNQCLSA-N	1	0	358.442	1.884	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)CN1CC[NH+](CCc2ccccc2)CC1	ZINC000054983914	523727015	/nfs/dbraw/zinc/72/70/15/523727015.db2.gz	ZYFCFCYIDMSQNE-UHFFFAOYSA-N	1	0	353.470	1.503	20	30		FDEDRO
C=CCc1cc(CNC(=O)CN2CC[NH+](CC)CC2)cc(OC)c1OC	ZINC000081311434	524097639	/nfs/dbraw/zinc/09/76/39/524097639.db2.gz	FBYJYRJEXFYDPC-UHFFFAOYSA-N	1	0	361.486	1.686	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Cc1ccc(OCC#N)cc1	ZINC000110683456	524122140	/nfs/dbraw/zinc/12/21/40/524122140.db2.gz	SKACTMKLIKLWLN-SFHVURJKSA-N	1	0	372.469	1.190	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)c2cc(C#N)cn2C)CC1	ZINC000081758354	524179797	/nfs/dbraw/zinc/17/97/97/524179797.db2.gz	IZVMISVXWXAQHF-UHFFFAOYSA-N	1	0	373.501	1.597	20	30		FDEDRO
C=CCNc1ncc(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)s1	ZINC000136308395	524193042	/nfs/dbraw/zinc/19/30/42/524193042.db2.gz	PRWACKTUKCLYME-CQSZACIVSA-N	1	0	351.520	1.743	20	30		FDEDRO
N#CCCN(C(=O)CN1CC[NH+](CC2CCOCC2)CC1)c1ccccc1	ZINC000172429416	524221096	/nfs/dbraw/zinc/22/10/96/524221096.db2.gz	HPVQIPPCMOBOJG-UHFFFAOYSA-N	1	0	370.497	1.977	20	30		FDEDRO
Cn1cnc2c1c(=O)n(CCC[N@H+](CCC#N)CC(C)(C)C)c(=O)n2C	ZINC000111250938	524234348	/nfs/dbraw/zinc/23/43/48/524234348.db2.gz	XNSOBYWJALLMCY-UHFFFAOYSA-N	1	0	360.462	1.086	20	30		FDEDRO
CN(C1CC[NH+](CCc2ccncc2)CC1)S(=O)(=O)CCCC#N	ZINC000111335870	524264172	/nfs/dbraw/zinc/26/41/72/524264172.db2.gz	FMBPDRJYKBKLFX-UHFFFAOYSA-N	1	0	350.488	1.654	20	30		FDEDRO
Cc1cc(C(=O)NC2CCN(CC(=O)Nc3cccc(C#N)c3)CC2)no1	ZINC000139141898	524277120	/nfs/dbraw/zinc/27/71/20/524277120.db2.gz	WAEXPJXIEYJPBW-UHFFFAOYSA-N	1	0	367.409	1.688	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)CC1	ZINC000172843724	524281439	/nfs/dbraw/zinc/28/14/39/524281439.db2.gz	FKCUEXADMXHREL-MRXNPFEDSA-N	1	0	350.507	1.831	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000111511720	524294154	/nfs/dbraw/zinc/29/41/54/524294154.db2.gz	OSFNJJAAWOEFHJ-KRWDZBQOSA-N	1	0	356.474	1.659	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)N(C)C)oc2C)CC1	ZINC000084599903	524316860	/nfs/dbraw/zinc/31/68/60/524316860.db2.gz	IJFBMVGLBSFHBZ-UHFFFAOYSA-N	1	0	355.460	1.219	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1cccn(C)c1=O)C(C)C	ZINC000086447268	524391647	/nfs/dbraw/zinc/39/16/47/524391647.db2.gz	FTZLCRHDBDRXCS-MRXNPFEDSA-N	1	0	360.458	1.139	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccc(CNC(=O)c3ccc(C#N)[nH]3)cc2)CC1	ZINC000158051793	524391741	/nfs/dbraw/zinc/39/17/41/524391741.db2.gz	KJVIRKYGNMKPAN-UHFFFAOYSA-N	1	0	351.454	1.954	20	30		FDEDRO
C#CCCCNC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1	ZINC000173528604	524407401	/nfs/dbraw/zinc/40/74/01/524407401.db2.gz	NJGIVXKBWDKKLN-UHFFFAOYSA-N	1	0	356.470	1.685	20	30		FDEDRO
C[NH+]=C(NCc1cnc(N(C)C)n1C)NC1CCN(c2ccccc2)CC1	ZINC000088200146	524434473	/nfs/dbraw/zinc/43/44/73/524434473.db2.gz	SYDORWHPYXRQKJ-UHFFFAOYSA-N	1	0	369.517	1.820	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(N2CCCC2)nc1	ZINC000122077759	524444848	/nfs/dbraw/zinc/44/48/48/524444848.db2.gz	BVAVHALYJNDASU-UHFFFAOYSA-N	1	0	372.473	1.314	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cnc(C(C)(C)C)nc1	ZINC000122082924	524447201	/nfs/dbraw/zinc/44/72/01/524447201.db2.gz	CCPBGMAWNYOYRU-UHFFFAOYSA-N	1	0	360.462	1.407	20	30		FDEDRO
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000122089684	524448936	/nfs/dbraw/zinc/44/89/36/524448936.db2.gz	DSBASNXPLYAXOT-UHFFFAOYSA-N	1	0	361.402	1.536	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC1CC[NH+](CCOC)CC1	ZINC000148680015	524453010	/nfs/dbraw/zinc/45/30/10/524453010.db2.gz	QTGUXGIDGVUYQQ-UHFFFAOYSA-N	1	0	374.441	1.122	20	30		FDEDRO
Cc1ncc(CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)s1	ZINC000089120568	524476113	/nfs/dbraw/zinc/47/61/13/524476113.db2.gz	ZHWVKJJAXULTSR-LBPRGKRZSA-N	1	0	351.476	1.832	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NC[C@H](CO)c3ccccc3)=[NH+]C[C@@H]2C1	ZINC000089120846	524477403	/nfs/dbraw/zinc/47/74/03/524477403.db2.gz	ILJKVDBKLGZIAR-IAGOWNOFSA-N	1	0	374.485	1.643	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)CN1CCC(OCC[NH+]2CCCC2)CC1	ZINC000173961392	524492347	/nfs/dbraw/zinc/49/23/47/524492347.db2.gz	ZPXZEDCDCYKGFS-IBGZPJMESA-N	1	0	350.507	1.618	20	30		FDEDRO
C[NH+]=C(NC[C@@H](C)Oc1ccccc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158598994	524497266	/nfs/dbraw/zinc/49/72/66/524497266.db2.gz	HLRVCDVSSFEEEW-CQSZACIVSA-N	1	0	353.488	1.538	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(OC)c(OC)c2)c1C#N	ZINC000089675857	524520468	/nfs/dbraw/zinc/52/04/68/524520468.db2.gz	OMADINGJWBYVJO-UHFFFAOYSA-N	1	0	357.414	1.632	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cn(-c3ccccc3)nn2)c1C#N	ZINC000089676666	524520530	/nfs/dbraw/zinc/52/05/30/524520530.db2.gz	SJRVTOIYQZJNTE-UHFFFAOYSA-N	1	0	350.386	1.266	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1	ZINC000112700912	524539961	/nfs/dbraw/zinc/53/99/61/524539961.db2.gz	VYAWHZKDXWJIHL-ZIAGYGMSSA-N	1	0	352.479	1.261	20	30		FDEDRO
C[NH+]=C(NCCn1cc([N+](=O)[O-])cn1)N1CCN(c2cccs2)CC1	ZINC000158910841	524550428	/nfs/dbraw/zinc/55/04/28/524550428.db2.gz	BFLQANIOXSBBHX-UHFFFAOYSA-N	1	0	363.447	1.250	20	30		FDEDRO
Cc1oc(NC(=O)[C@@H](C)[N@H+](C)CCCc2[nH]nc(N)c2C#N)c(C#N)c1C	ZINC000089942901	524555242	/nfs/dbraw/zinc/55/52/42/524555242.db2.gz	PBTKXCVINITNLS-LLVKDONJSA-N	1	0	369.429	1.837	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)NCc1cc(F)cc(F)c1	ZINC000089943088	524556241	/nfs/dbraw/zinc/55/62/41/524556241.db2.gz	YXVQZRMIGXSCCI-UHFFFAOYSA-N	1	0	362.384	1.323	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)Cc1c(C)[nH]c2ccnn2c1=O)C(C)C	ZINC000112919920	524594604	/nfs/dbraw/zinc/59/46/04/524594604.db2.gz	HABQMMQKGZQFAS-KRWDZBQOSA-N	1	0	371.485	1.688	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)c1	ZINC000174494962	524605663	/nfs/dbraw/zinc/60/56/63/524605663.db2.gz	ZPLVTAYYUFIDBA-HNNXBMFYSA-N	1	0	365.499	1.565	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C[N@@H+](C)CC)C2)cc1	ZINC000174538282	524618469	/nfs/dbraw/zinc/61/84/69/524618469.db2.gz	ZBVUWNUIEJJKGN-OAHLLOKOSA-N	1	0	363.483	1.012	20	30		FDEDRO
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)n1	ZINC000091190034	524653583	/nfs/dbraw/zinc/65/35/83/524653583.db2.gz	KMRDJRDWBLUPNM-UHFFFAOYSA-N	1	0	374.489	1.829	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000091193965	524654545	/nfs/dbraw/zinc/65/45/45/524654545.db2.gz	FPKWLCIIOBBFDS-ZDUSSCGKSA-N	1	0	360.462	1.439	20	30		FDEDRO
Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)CC2	ZINC000113439946	524685847	/nfs/dbraw/zinc/68/58/47/524685847.db2.gz	PTBGVAZFLDFSJT-XJKSGUPXSA-N	1	0	370.432	1.965	20	30		FDEDRO
C#CCC[NH+]1CCN(c2nc3ccccc3nc2N2CCOCC2)CC1	ZINC000091480542	524713912	/nfs/dbraw/zinc/71/39/12/524713912.db2.gz	DGCQFDQPXZKCJS-UHFFFAOYSA-N	1	0	351.454	1.612	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1C#N	ZINC000174766737	524728268	/nfs/dbraw/zinc/72/82/68/524728268.db2.gz	DYMYAFDBRXBXER-HNNXBMFYSA-N	1	0	370.453	1.517	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2CN2CCOCC2)CC1	ZINC000174769644	524730278	/nfs/dbraw/zinc/73/02/78/524730278.db2.gz	ADFRTUFZZCXKNH-SFHVURJKSA-N	1	0	350.507	1.533	20	30		FDEDRO
C[NH+]=C(NCCN1C(=O)Cc2ccccc21)N1CCC(C(=O)OC)CC1	ZINC000114077778	524741114	/nfs/dbraw/zinc/74/11/14/524741114.db2.gz	VQUSTDFXJHRRQB-UHFFFAOYSA-N	1	0	358.442	1.036	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)[C@H](C)C1	ZINC000091622711	524744018	/nfs/dbraw/zinc/74/40/18/524744018.db2.gz	BQUASDJXLOBPEX-QYZOEREBSA-N	1	0	363.550	1.341	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccccc1C#N)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1	ZINC000174883836	524777013	/nfs/dbraw/zinc/77/70/13/524777013.db2.gz	WSZKQWGBBHFNQH-HKUYNNGSSA-N	1	0	369.513	1.987	20	30		FDEDRO
CN(C)CC[NH+]1CCC(CNC(=O)Cc2ccc(OCC#N)cc2)CC1	ZINC000114380714	524782060	/nfs/dbraw/zinc/78/20/60/524782060.db2.gz	RFZILBKCGYRXNN-UHFFFAOYSA-N	1	0	358.486	1.521	20	30		FDEDRO
CC(C)[C@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)[NH+]1CCCCCC1	ZINC000123624853	524794956	/nfs/dbraw/zinc/79/49/56/524794956.db2.gz	RBDFWABECLXZDR-INIZCTEOSA-N	1	0	374.489	1.752	20	30		FDEDRO
CC[NH+]=C(NC[C@H]1CCN(S(C)(=O)=O)C1)N1CCc2ccccc2C1	ZINC000123662580	524802637	/nfs/dbraw/zinc/80/26/37/524802637.db2.gz	KFCFHLJVKGGWPO-OAHLLOKOSA-N	1	0	364.515	1.292	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCN1Cc1ccccc1	ZINC000114588664	524836480	/nfs/dbraw/zinc/83/64/80/524836480.db2.gz	YXHJPGDOEUGOGW-AZUAARDMSA-N	1	0	367.497	1.890	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1	ZINC000123886301	524853166	/nfs/dbraw/zinc/85/31/66/524853166.db2.gz	QDHRLZNBKMFOBY-OAGGEKHMSA-N	1	0	371.489	1.441	20	30		FDEDRO
CCN(CCC#N)C(=O)C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000123970658	524871892	/nfs/dbraw/zinc/87/18/92/524871892.db2.gz	KUXXQIUWOWRXAQ-UHFFFAOYSA-N	1	0	371.485	1.525	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccnc(OCC[NH+](C)C)c1	ZINC000123999515	524878722	/nfs/dbraw/zinc/87/87/22/524878722.db2.gz	PQIKZRGEHFFORD-HNNXBMFYSA-N	1	0	368.437	1.977	20	30		FDEDRO
Cc1nc(-c2cccc(C#N)c2)nn1C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000152508412	524908867	/nfs/dbraw/zinc/90/88/67/524908867.db2.gz	WAYTZBWQUFDXLR-QWQRMKEZSA-N	1	0	355.442	1.595	20	30		FDEDRO
COC(=O)c1ccc(N2CC[N@H+](CCC(=O)N(C)CCC#N)[C@@H](C)C2)cc1	ZINC000092795395	524917028	/nfs/dbraw/zinc/91/70/28/524917028.db2.gz	JKKUERKFFSGIPW-INIZCTEOSA-N	1	0	372.469	1.746	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)CC1	ZINC000092837958	524922504	/nfs/dbraw/zinc/92/25/04/524922504.db2.gz	YPKNXJMJIBFZFN-UHFFFAOYSA-N	1	0	370.457	1.733	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N(C)CC[NH+]2CCCC2)cc1C#N	ZINC000124331689	524958155	/nfs/dbraw/zinc/95/81/55/524958155.db2.gz	UZIFHVJKHDYXQA-UHFFFAOYSA-N	1	0	358.442	1.838	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCC2CCN(S(=O)(=O)CCCC#N)CC2)C[C@H](C)O1	ZINC000175664864	524989748	/nfs/dbraw/zinc/98/97/48/524989748.db2.gz	CDIUAJRVSWQIAY-IYBDPMFKSA-N	1	0	357.520	1.831	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1	ZINC000152797384	525009920	/nfs/dbraw/zinc/00/99/20/525009920.db2.gz	MILGBJMDCDUKMQ-UHFFFAOYSA-N	1	0	371.441	1.264	20	30		FDEDRO
CCO[C@@H]1C[C@@H](O)C12CC[NH+](C[C@H](O)COc1ccc(C#N)cc1)CC2	ZINC000152851585	525026151	/nfs/dbraw/zinc/02/61/51/525026151.db2.gz	DSCFEOLJWIXXEK-QXAKKESOSA-N	1	0	360.454	1.550	20	30		FDEDRO
COCc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCN(c3sccc3C#N)C1=O)CC2	ZINC000124694775	525054044	/nfs/dbraw/zinc/05/40/44/525054044.db2.gz	GUGGKLIELLJFOH-STQMWFEESA-N	1	0	372.454	1.068	20	30		FDEDRO
N#CCCn1ccc(NC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)n1	ZINC000124699312	525056658	/nfs/dbraw/zinc/05/66/58/525056658.db2.gz	XLSVHZCXUGIBJG-HNNXBMFYSA-N	1	0	358.446	1.212	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H]2CCCN(S(C)(=O)=O)C2)c1	ZINC000176316970	525080923	/nfs/dbraw/zinc/08/09/23/525080923.db2.gz	HKFKJZAOOYCEIS-MRXNPFEDSA-N	1	0	363.483	1.210	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[N@@H+](C3CC3)CC2)cc1	ZINC000116195240	525113675	/nfs/dbraw/zinc/11/36/75/525113675.db2.gz	IUZSGEVHYNGOII-UHFFFAOYSA-N	1	0	363.483	1.461	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)CC1	ZINC000176499437	525131833	/nfs/dbraw/zinc/13/18/33/525131833.db2.gz	MCKGQRVHSGAXHY-INIZCTEOSA-N	1	0	374.489	1.174	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ccccc3OC)C2=O)CC1	ZINC000176586576	525147041	/nfs/dbraw/zinc/14/70/41/525147041.db2.gz	PAXFURUPIQTCSP-MRXNPFEDSA-N	1	0	372.469	1.750	20	30		FDEDRO
CC1CC[NH+](C[C@H](O)CNS(=O)(=O)c2ccc(F)cc2C#N)CC1	ZINC000161662223	525148120	/nfs/dbraw/zinc/14/81/20/525148120.db2.gz	PJKNIRRFIVMQLF-OAHLLOKOSA-N	1	0	355.435	1.068	20	30		FDEDRO
CC(=O)Nc1cccc(NC(=O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1	ZINC000153257108	525159801	/nfs/dbraw/zinc/15/98/01/525159801.db2.gz	FGUZSBGYPQZGMN-UHFFFAOYSA-N	1	0	369.429	1.325	20	30		FDEDRO
CC[NH+]=C(NCc1cccc2c1OCO2)N1CCO[C@H](c2cnn(C)c2)C1	ZINC000153267875	525162367	/nfs/dbraw/zinc/16/23/67/525162367.db2.gz	QHIFNCLCHAXUKL-KRWDZBQOSA-N	1	0	371.441	1.688	20	30		FDEDRO
C[NH+]=C(NCCOc1ccc(F)c(F)c1)N[C@@H]1CCc2nc(C)nn2C1	ZINC000126016478	525265142	/nfs/dbraw/zinc/26/51/42/525265142.db2.gz	IQPVNRGRYQHQEM-GFCCVEGCSA-N	1	0	364.400	1.424	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCCN(C(N)=O)CC2)c1	ZINC000102180055	525276891	/nfs/dbraw/zinc/27/68/91/525276891.db2.gz	SLKAAURSXXMITH-UHFFFAOYSA-N	1	0	357.458	1.637	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000126356107	525302268	/nfs/dbraw/zinc/30/22/68/525302268.db2.gz	VHBDRIMIRSBDNW-IBGZPJMESA-N	1	0	362.433	1.630	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(Cc2cn3ccccc3c2C#N)CC1	ZINC000103492578	525361997	/nfs/dbraw/zinc/36/19/97/525361997.db2.gz	KAEXJFMLXBNBOP-UHFFFAOYSA-N	1	0	353.470	1.797	20	30		FDEDRO
C[NH+]1CCN(c2cc(C(=O)N(CCC#N)Cc3cccnc3)ccn2)CC1	ZINC000104046606	525385886	/nfs/dbraw/zinc/38/58/86/525385886.db2.gz	BYFJWBKSIBHSRE-UHFFFAOYSA-N	1	0	364.453	1.784	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)c1	ZINC000104103002	525391135	/nfs/dbraw/zinc/39/11/35/525391135.db2.gz	KEPTZHKLADNJDZ-UHFFFAOYSA-N	1	0	365.499	1.565	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1ccccc1OCC(F)(F)F	ZINC000104177250	525398087	/nfs/dbraw/zinc/39/80/87/525398087.db2.gz	ZMVVUQBPXZYTIO-UHFFFAOYSA-N	1	0	374.407	1.625	20	30		FDEDRO
CN(C)C(=[NH+]Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)N(C)C	ZINC000104175632	525398728	/nfs/dbraw/zinc/39/87/28/525398728.db2.gz	CNWOPLFQRIKERK-OAHLLOKOSA-N	1	0	368.503	1.123	20	30		FDEDRO
C#CCC[NH+]1CCN(Cc2nnc3n2c2ccc(C)cc2c(=O)n3C)CC1	ZINC000127320699	525410683	/nfs/dbraw/zinc/41/06/83/525410683.db2.gz	CBYHPMCJIIKJFR-UHFFFAOYSA-N	1	0	364.453	1.031	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC000104800782	525439501	/nfs/dbraw/zinc/43/95/01/525439501.db2.gz	RFLKHXYIFOHMHR-QGZVFWFLSA-N	1	0	357.458	1.287	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(OCCCC#N)c1)C1CC1	ZINC000118102338	525444714	/nfs/dbraw/zinc/44/47/14/525444714.db2.gz	NVCPHZCZLINGFD-KRWDZBQOSA-N	1	0	358.442	1.764	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCC2CCN(C(C)=O)CC2)cc1OC	ZINC000178568269	525445636	/nfs/dbraw/zinc/44/56/36/525445636.db2.gz	FLWZRZBRWFNNHR-UHFFFAOYSA-N	1	0	362.474	1.409	20	30		FDEDRO
N#Cc1ncn(CC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)n1	ZINC000178742999	525474385	/nfs/dbraw/zinc/47/43/85/525474385.db2.gz	BMFFNBSYJRILQW-UHFFFAOYSA-N	1	0	354.414	1.653	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC([C@H](C)[NH3+])CC2)cc1	ZINC000178867081	525496591	/nfs/dbraw/zinc/49/65/91/525496591.db2.gz	BGQPZEUSWUDLDR-ZDUSSCGKSA-N	1	0	351.472	1.350	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H](CC(C)C)C(=O)NCCOC)CC1	ZINC000178919148	525504365	/nfs/dbraw/zinc/50/43/65/525504365.db2.gz	QRBIJDBUOBQWQD-INIZCTEOSA-N	1	0	354.495	1.113	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3c(c2)CCN3C(C)=O)c1C#N	ZINC000128165957	525511007	/nfs/dbraw/zinc/51/10/07/525511007.db2.gz	XCRAKJARXIACCA-UHFFFAOYSA-N	1	0	366.425	1.595	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CCNC(=O)c2ccsc2)c1C#N	ZINC000128206287	525516951	/nfs/dbraw/zinc/51/69/51/525516951.db2.gz	LIGNXLAHMVGCGL-UHFFFAOYSA-N	1	0	360.443	1.253	20	30		FDEDRO
C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H](CCC#N)c2ccccc2)cn1	ZINC000128270412	525523054	/nfs/dbraw/zinc/52/30/54/525523054.db2.gz	HZZSLSUQPYPGTQ-KRWDZBQOSA-N	1	0	368.441	1.544	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CSCC(=O)Nc2cc(C)on2)CC1	ZINC000106040234	525554561	/nfs/dbraw/zinc/55/45/61/525554561.db2.gz	RAUFTEXZBZLUQK-UHFFFAOYSA-N	1	0	366.487	1.811	20	30		FDEDRO
CCC[C@H]1CN(C(=O)Cn2cnc(C#N)n2)CC[N@@H+]1Cc1ccccc1	ZINC000179659344	525612224	/nfs/dbraw/zinc/61/22/24/525612224.db2.gz	UTLFZYVCPHBHFE-KRWDZBQOSA-N	1	0	352.442	1.663	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000180032104	525652212	/nfs/dbraw/zinc/65/22/12/525652212.db2.gz	OLATUWBSTSNHIX-HNNXBMFYSA-N	1	0	365.499	1.814	20	30		FDEDRO
C#CCOc1ccc(C[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)cc1	ZINC000129516907	525663807	/nfs/dbraw/zinc/66/38/07/525663807.db2.gz	HXHWQKNIVZSZTA-HNNXBMFYSA-N	1	0	365.476	1.685	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCCc2nnc3n2CCCCC3)CC1	ZINC000106257866	525684131	/nfs/dbraw/zinc/68/41/31/525684131.db2.gz	GIAYFXUFXFBNQU-UHFFFAOYSA-N	1	0	360.506	1.887	20	30		FDEDRO
N#CCCCCS(=O)(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO	ZINC000180377885	525699042	/nfs/dbraw/zinc/69/90/42/525699042.db2.gz	GTHQHBWDODEDAW-GOSISDBHSA-N	1	0	365.499	1.757	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1	ZINC000106538785	525746115	/nfs/dbraw/zinc/74/61/15/525746115.db2.gz	LZIFTSGUJZFWAU-QGZVFWFLSA-N	1	0	354.454	1.923	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1	ZINC000181028364	525792742	/nfs/dbraw/zinc/79/27/42/525792742.db2.gz	IUBZGFURZRCQLR-KGLIPLIRSA-N	1	0	366.487	1.253	20	30		FDEDRO
CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)cc1	ZINC000181042359	525795659	/nfs/dbraw/zinc/79/56/59/525795659.db2.gz	YVCRQAGMIHFPRE-STQMWFEESA-N	1	0	352.460	1.006	20	30		FDEDRO
CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(C#N)cc2)cc1	ZINC000181054072	525798451	/nfs/dbraw/zinc/79/84/51/525798451.db2.gz	FTGKTZOBKNOKCT-UGSOOPFHSA-N	1	0	359.451	1.851	20	30		FDEDRO
C[C@@H]1CCC[C@@](CNC(=O)CNC(=O)c2ccc(C#N)cc2)([NH+](C)C)C1	ZINC000171115007	525854811	/nfs/dbraw/zinc/85/48/11/525854811.db2.gz	JJWPDVQLPQCNOR-FOIQADDNSA-N	1	0	356.470	1.915	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](CN3CCOCC3)C2)cc1	ZINC000131564793	525874351	/nfs/dbraw/zinc/87/43/51/525874351.db2.gz	JIPYIMBFLNXLCM-MOPGFXCFSA-N	1	0	359.470	1.146	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1	ZINC000181683819	525890357	/nfs/dbraw/zinc/89/03/57/525890357.db2.gz	KJZHSORJMCWGDO-HKUYNNGSSA-N	1	0	372.469	1.574	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC[N@H+](C)C1CCCC1	ZINC000119880385	525895872	/nfs/dbraw/zinc/89/58/72/525895872.db2.gz	UVJREAVKAWKCDG-OAHLLOKOSA-N	1	0	371.489	1.443	20	30		FDEDRO
CCN(CC)C(=O)CN1CCC[N@H+](C[C@H](O)c2ccc(C#N)cc2)CC1	ZINC000155540885	525899482	/nfs/dbraw/zinc/89/94/82/525899482.db2.gz	UBVZLHLMDSBFPH-IBGZPJMESA-N	1	0	358.486	1.468	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[N@@H+](C2CC2)CC1	ZINC000181764174	525923077	/nfs/dbraw/zinc/92/30/77/525923077.db2.gz	POSISOQVFRHFNI-CQSZACIVSA-N	1	0	356.426	1.613	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1	ZINC000120005016	525932482	/nfs/dbraw/zinc/93/24/82/525932482.db2.gz	DUHSYTKCCSCQIM-MXHNKVEKSA-N	1	0	360.502	1.905	20	30		FDEDRO
Cc1sc(C(=O)N(CCC#N)CCC[NH+](C)C)cc1CS(C)(=O)=O	ZINC000132634247	525983714	/nfs/dbraw/zinc/98/37/14/525983714.db2.gz	GRRLXDPCLPLTJS-UHFFFAOYSA-N	1	0	371.528	1.909	20	30		FDEDRO
N#CCCn1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1	ZINC000155930512	526011974	/nfs/dbraw/zinc/01/19/74/526011974.db2.gz	ZXKWGHSEWBIKHR-GDBMZVCRSA-N	1	0	370.457	1.211	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)CN(C)CCC(F)(F)F)CC2)o1	ZINC000108972333	526049769	/nfs/dbraw/zinc/04/97/69/526049769.db2.gz	GFNUOZIVNVCEOF-UHFFFAOYSA-N	1	0	359.352	1.388	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2csc(-c3cnn(C)c3)n2)c1C#N	ZINC000133401285	526054911	/nfs/dbraw/zinc/05/49/11/526054911.db2.gz	AEPYLKUNOXWPBX-UHFFFAOYSA-N	1	0	370.442	1.543	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)n1	ZINC000182142529	526072388	/nfs/dbraw/zinc/07/23/88/526072388.db2.gz	APECNQARWPHDMS-CQSZACIVSA-N	1	0	360.462	1.655	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CSC[C@H]2CCCCO2)c1C#N	ZINC000133737046	526086204	/nfs/dbraw/zinc/08/62/04/526086204.db2.gz	QWIODYGXBJEGBD-GFCCVEGCSA-N	1	0	351.476	1.674	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)CC1	ZINC000171719646	526090373	/nfs/dbraw/zinc/09/03/73/526090373.db2.gz	GQIURMFQCWSXKZ-QGZVFWFLSA-N	1	0	373.432	1.012	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2[nH]c(C)c(C(=O)OCCOC)c2C)CC1	ZINC000171718402	526090426	/nfs/dbraw/zinc/09/04/26/526090426.db2.gz	KYRSRKJIXIUXIB-UHFFFAOYSA-N	1	0	363.458	1.815	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc(C#N)c2)[C@@H](C)C[NH2+]1	ZINC000156265925	526095505	/nfs/dbraw/zinc/09/55/05/526095505.db2.gz	SLKONNWMEZSCLG-ZJUUUORDSA-N	1	0	358.261	1.692	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2cc(S(N)(=O)=O)ccc2C)CC1	ZINC000171730619	526099126	/nfs/dbraw/zinc/09/91/26/526099126.db2.gz	IJDLWQUNUFPMPL-UHFFFAOYSA-N	1	0	351.472	1.413	20	30		FDEDRO
CCN(CC)C(=O)C1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000109438763	526126637	/nfs/dbraw/zinc/12/66/37/526126637.db2.gz	OXZOBXVSDXBNPU-SFHVURJKSA-N	1	0	359.470	1.878	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NC[C@H]2CC(=O)N(C3CC3)C2)cc1OC	ZINC000182372317	526150459	/nfs/dbraw/zinc/15/04/59/526150459.db2.gz	TWVYXSGFJWKURX-CQSZACIVSA-N	1	0	360.458	1.162	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(Cc3cnc(C)s3)CC2)CC1	ZINC000171907808	526178790	/nfs/dbraw/zinc/17/87/90/526178790.db2.gz	MQLNRKKRKZINQX-UHFFFAOYSA-N	1	0	363.531	1.929	20	30		FDEDRO
CN1CCN(C(=O)CC2CC[NH+](CCOc3ccccc3C#N)CC2)CC1	ZINC000109789354	526182717	/nfs/dbraw/zinc/18/27/17/526182717.db2.gz	VWNBLOFANWIKQK-UHFFFAOYSA-N	1	0	370.497	1.813	20	30		FDEDRO
N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@H+]2CCC[C@H](CO)C2)CC1	ZINC000182622490	535835686	/nfs/dbraw/zinc/83/56/86/535835686.db2.gz	XKDJMAOGFXLASU-LPHOPBHVSA-N	1	0	374.460	1.239	20	30		FDEDRO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1	ZINC000183160620	535931287	/nfs/dbraw/zinc/93/12/87/535931287.db2.gz	FJMOTSRPALHVPJ-INIZCTEOSA-N	1	0	362.499	1.161	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)NCC1(C[NH+](C)C)CCCC1	ZINC000185916373	536221226	/nfs/dbraw/zinc/22/12/26/536221226.db2.gz	AYQSLBKOHYUCTF-UHFFFAOYSA-N	1	0	351.472	1.967	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000186067949	536224656	/nfs/dbraw/zinc/22/46/56/536224656.db2.gz	IRBLCDPXPSLYGV-ZWKOTPCHSA-N	1	0	374.485	1.120	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC[C@@H]1O	ZINC000186810624	536245148	/nfs/dbraw/zinc/24/51/48/536245148.db2.gz	RNPIEVIXLNPZIA-PMPSAXMXSA-N	1	0	362.499	1.160	20	30		FDEDRO
CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(C#N)cn1C	ZINC000187219511	536258246	/nfs/dbraw/zinc/25/82/46/536258246.db2.gz	QHHXDTYVBHCTGR-HXUWFJFHSA-N	1	0	352.438	1.606	20	30		FDEDRO
C=C(C)COCCNC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000187593308	536269559	/nfs/dbraw/zinc/26/95/59/536269559.db2.gz	QCCZTKUYVIEZHI-FQEVSTJZSA-N	1	0	361.486	1.858	20	30		FDEDRO
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1	ZINC000187796492	536274733	/nfs/dbraw/zinc/27/47/33/536274733.db2.gz	UBXALLSEFYDORI-HZPDHXFCSA-N	1	0	356.470	1.894	20	30		FDEDRO
CCN(C)C(=O)[C@@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000187905647	536277769	/nfs/dbraw/zinc/27/77/69/536277769.db2.gz	GNLMCFRUEIBGGE-MRXNPFEDSA-N	1	0	371.485	1.642	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H]2CCCN(c3ccnn3CC)C2=O)CC1	ZINC000188692221	536929035	/nfs/dbraw/zinc/92/90/35/536929035.db2.gz	DLOXHTWRESAHRL-INIZCTEOSA-N	1	0	374.489	1.348	20	30		FDEDRO
C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ncccc1OCCCC#N	ZINC000188788073	536949593	/nfs/dbraw/zinc/94/95/93/536949593.db2.gz	MPJNTZYJMSTALJ-INIZCTEOSA-N	1	0	374.489	1.912	20	30		FDEDRO
C[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1N1CCOCC1	ZINC000246515439	536971257	/nfs/dbraw/zinc/97/12/57/536971257.db2.gz	QWOMKHPUGHULPW-MNEFBYGVSA-N	1	0	354.454	1.316	20	30		FDEDRO
CC(C)N1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1=O	ZINC000267556787	536978949	/nfs/dbraw/zinc/97/89/49/536978949.db2.gz	FBJZLWCZGNPLQW-GOSISDBHSA-N	1	0	371.485	1.641	20	30		FDEDRO
CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C#N)c(O)c1	ZINC000189225174	537014121	/nfs/dbraw/zinc/01/41/21/537014121.db2.gz	HSDMYTSTWHNDPF-OAQYLSRUSA-N	1	0	365.433	1.973	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC#Cc1ccccc1	ZINC000263645439	537050291	/nfs/dbraw/zinc/05/02/91/537050291.db2.gz	BJEAEJSPHHRVPM-GOSISDBHSA-N	1	0	356.470	1.280	20	30		FDEDRO
CC(C)C(=O)NC[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000263689301	537066057	/nfs/dbraw/zinc/06/60/57/537066057.db2.gz	GSRAEYANGWMIJV-QZTJIDSGSA-N	1	0	359.470	1.782	20	30		FDEDRO
COCC[N@H+](C)CCNC(=O)NCCSCc1ccccc1C#N	ZINC000263810704	537106639	/nfs/dbraw/zinc/10/66/39/537106639.db2.gz	WNUUXXRETJGPQB-UHFFFAOYSA-N	1	0	350.488	1.669	20	30		FDEDRO
COCCC[N@H+](CCO)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000189879758	537109857	/nfs/dbraw/zinc/10/98/57/537109857.db2.gz	QHOCYTQLFBAFKW-UHFFFAOYSA-N	1	0	372.387	1.504	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc2scnc2c1	ZINC000189998824	537125405	/nfs/dbraw/zinc/12/54/05/537125405.db2.gz	OCWMQKNMTPVDPL-UHFFFAOYSA-N	1	0	359.455	1.929	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1	ZINC000247520420	537129556	/nfs/dbraw/zinc/12/95/56/537129556.db2.gz	WJPZYEXZZXOIJT-WMLDXEAASA-N	1	0	365.499	1.563	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1ccc(N2CCCCC2)nc1	ZINC000264151996	537138588	/nfs/dbraw/zinc/13/85/88/537138588.db2.gz	ZLOMTERCGRRYQD-UHFFFAOYSA-N	1	0	360.506	1.199	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccc(OC)c(OC)c2)CC1	ZINC000264153855	537138717	/nfs/dbraw/zinc/13/87/17/537138717.db2.gz	ZYPTVNYJDUYTOD-UHFFFAOYSA-N	1	0	364.446	1.729	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NC[C@H](c1cccc(Cl)c1)N1CCOCC1	ZINC000264296043	537140970	/nfs/dbraw/zinc/14/09/70/537140970.db2.gz	QSUJBIRDIFFBMA-CZUORRHYSA-N	1	0	354.882	1.653	20	30		FDEDRO
C#CCN(Cc1ccc(F)cc1)C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O	ZINC000264430127	537144891	/nfs/dbraw/zinc/14/48/91/537144891.db2.gz	BKZRNFNGWXRSFF-QGZVFWFLSA-N	1	0	360.433	1.310	20	30		FDEDRO
CCN1CC[NH+](CCCCNC(=O)Cc2ccc(OCC#N)cc2)CC1	ZINC000264930375	537149996	/nfs/dbraw/zinc/14/99/96/537149996.db2.gz	NPQBJYSFCSWZTM-UHFFFAOYSA-N	1	0	358.486	1.665	20	30		FDEDRO
Cn1cc([C@@H]2NC(=N)Nc3nc4cc5c(cc4n32)OCCCO5)cc1C#N	ZINC000190355980	537167476	/nfs/dbraw/zinc/16/74/76/537167476.db2.gz	SMLCQMPCVOJYOR-MRXNPFEDSA-N	1	0	363.381	1.504	20	30		FDEDRO
CC(C)c1cnc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)s1	ZINC000190809728	537187309	/nfs/dbraw/zinc/18/73/09/537187309.db2.gz	RIWRLFQVDYQKJV-UHFFFAOYSA-N	1	0	351.476	1.899	20	30		FDEDRO
C[C@H](NC(=O)C(=O)Nc1ccn(CCC#N)n1)[C@@H](c1ccccc1)[NH+](C)C	ZINC000191256224	537201407	/nfs/dbraw/zinc/20/14/07/537201407.db2.gz	FDOBYJDIPRLYEQ-YOEHRIQHSA-N	1	0	368.441	1.543	20	30		FDEDRO
C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000192344708	537223598	/nfs/dbraw/zinc/22/35/98/537223598.db2.gz	PZIQKNNGZNPITO-QZTJIDSGSA-N	1	0	369.469	1.300	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H]1C(=O)NCC[C@H]1C	ZINC000249598105	537239611	/nfs/dbraw/zinc/23/96/11/537239611.db2.gz	QBPVYOQTEHQOJK-PBFPGSCMSA-N	1	0	360.483	1.991	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000282229182	537272819	/nfs/dbraw/zinc/27/28/19/537272819.db2.gz	BVQHFHOISWRLHX-HLLBOEOZSA-N	1	0	350.488	1.575	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)CN2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)cc1	ZINC000363675512	537273889	/nfs/dbraw/zinc/27/38/89/537273889.db2.gz	XSQKCPKOVJTTBO-IPMKNSEASA-N	1	0	359.470	1.219	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC(C[NH+]2CCOCC2)CC1	ZINC000298711330	537281531	/nfs/dbraw/zinc/28/15/31/537281531.db2.gz	HQRRGCPTPSWIIH-INIZCTEOSA-N	1	0	356.470	1.929	20	30		FDEDRO
C#CC[NH+]1CCC(c2nc(-c3cccc(NS(C)(=O)=O)c3)no2)CC1	ZINC000278215090	537284891	/nfs/dbraw/zinc/28/48/91/537284891.db2.gz	WOCOKNDUPOJVAV-UHFFFAOYSA-N	1	0	360.439	1.921	20	30		FDEDRO
CCNC(=O)OC[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1	ZINC000285793678	537288235	/nfs/dbraw/zinc/28/82/35/537288235.db2.gz	ZQMXTLTVLZGRRT-IAGOWNOFSA-N	1	0	361.442	1.899	20	30		FDEDRO
COc1ccccc1[C@H](CNC(=O)C(=O)NCCCCC#N)[NH+]1CCCC1	ZINC000283258060	537360461	/nfs/dbraw/zinc/36/04/61/537360461.db2.gz	BQPAPZRRVIESQI-KRWDZBQOSA-N	1	0	372.469	1.758	20	30		FDEDRO
CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)cc1	ZINC000283922688	537392468	/nfs/dbraw/zinc/39/24/68/537392468.db2.gz	AQWYWYLBCSFVHV-KGLIPLIRSA-N	1	0	351.472	1.891	20	30		FDEDRO
CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000276291373	537398445	/nfs/dbraw/zinc/39/84/45/537398445.db2.gz	URZRZFXGXHIRPU-IAGOWNOFSA-N	1	0	352.438	1.533	20	30		FDEDRO
CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1	ZINC000365041615	537417791	/nfs/dbraw/zinc/41/77/91/537417791.db2.gz	SCAOSVUAQRFRNK-MSOLQXFVSA-N	1	0	354.454	1.507	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@]3(CCC[C@@H]3[NH3+])C2)cc1	ZINC000365081361	537426638	/nfs/dbraw/zinc/42/66/38/537426638.db2.gz	ATAMHMOKVBHVSG-WMZOPIPTSA-N	1	0	363.483	1.494	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCOc3ccc(F)cc32)CC1	ZINC000286323391	537432957	/nfs/dbraw/zinc/43/29/57/537432957.db2.gz	AFQQAWAEXARXAL-INIZCTEOSA-N	1	0	361.417	1.532	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccccc1C(=O)NC(C)(C)C	ZINC000293374231	537435720	/nfs/dbraw/zinc/43/57/20/537435720.db2.gz	MKUOJAMYIJEYNW-UHFFFAOYSA-N	1	0	372.469	1.225	20	30		FDEDRO
C=C(C)CS(=O)(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1	ZINC000280677772	537438742	/nfs/dbraw/zinc/43/87/42/537438742.db2.gz	ZADWOXWSIAWIIT-UHFFFAOYSA-N	1	0	367.515	1.655	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(C(C)(C)C(=O)OC)cc1	ZINC000293416800	537449009	/nfs/dbraw/zinc/44/90/09/537449009.db2.gz	POGAEZFKFZAAPY-UHFFFAOYSA-N	1	0	373.453	1.147	20	30		FDEDRO
CC[NH+]1CCN(CCNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000288536835	537517119	/nfs/dbraw/zinc/51/71/19/537517119.db2.gz	SEHUIZKGINEUNB-KRWDZBQOSA-N	1	0	373.476	1.277	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)C1=O	ZINC000281252404	537520126	/nfs/dbraw/zinc/52/01/26/537520126.db2.gz	QIKKIGQYYOLQHL-KDOFPFPSSA-N	1	0	357.454	1.782	20	30		FDEDRO
C#CCNC(=O)CC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)OC	ZINC000293582702	537524628	/nfs/dbraw/zinc/52/46/28/537524628.db2.gz	TXHOLCYPFHVSDU-INIZCTEOSA-N	1	0	374.437	1.306	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)CCCC[NH3+])ccc1F	ZINC000293595234	537528700	/nfs/dbraw/zinc/52/87/00/537528700.db2.gz	ZJYJHYKABKNKFW-LBPRGKRZSA-N	1	0	357.451	1.537	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCC[C@@H]2CCC[NH2+]C2)c1	ZINC000236671032	537594236	/nfs/dbraw/zinc/59/42/36/537594236.db2.gz	DTZAZGKJJLHUCI-AWEZNQCLSA-N	1	0	351.472	1.270	20	30		FDEDRO
N#Cc1cncc(S(=O)(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1	ZINC000289841797	537597455	/nfs/dbraw/zinc/59/74/55/537597455.db2.gz	PFHKJGOWUXZQQW-KRWDZBQOSA-N	1	0	370.478	1.796	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])N[C@H]2C[C@H](OCC)C23CCC3)CC1	ZINC000304791580	537599396	/nfs/dbraw/zinc/59/93/96/537599396.db2.gz	KSKKUQYJKOTRNW-GJZGRUSLSA-N	1	0	352.479	1.859	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)COc1cccc(NC(=O)c2ccco2)c1	ZINC000293872769	537614824	/nfs/dbraw/zinc/61/48/24/537614824.db2.gz	CARGVNKMUPRMNP-UHFFFAOYSA-N	1	0	369.421	1.982	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C[NH2+]C)C2)ccc1F	ZINC000237200381	537617159	/nfs/dbraw/zinc/61/71/59/537617159.db2.gz	PPFLUIUQIFXBFV-ZDUSSCGKSA-N	1	0	369.462	1.362	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)CC1	ZINC000285123522	537620180	/nfs/dbraw/zinc/62/01/80/537620180.db2.gz	NXNHXBCWCOWTRE-RBUKOAKNSA-N	1	0	371.481	1.790	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000289928702	537628746	/nfs/dbraw/zinc/62/87/46/537628746.db2.gz	KTWUNVPMWUMMSK-LJQANCHMSA-N	1	0	359.449	1.814	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c1	ZINC000237555502	537632412	/nfs/dbraw/zinc/63/24/12/537632412.db2.gz	GABGZMPERCKTDX-XJKSGUPXSA-N	1	0	351.472	1.493	20	30		FDEDRO
Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCOCC(F)(F)C2)CCC[N@@H+]1C	ZINC000329611659	537640550	/nfs/dbraw/zinc/64/05/50/537640550.db2.gz	DIWDRIPBSVHPEU-DZGCQCFKSA-N	1	0	371.432	1.685	20	30		FDEDRO
CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)C1	ZINC000330006360	537649285	/nfs/dbraw/zinc/64/92/85/537649285.db2.gz	CSOYPXHHNBZEHR-GPANFISMSA-N	1	0	372.535	1.319	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1nn(-c2ccccc2F)c(C)cc1=O	ZINC000294059722	537649508	/nfs/dbraw/zinc/64/95/08/537649508.db2.gz	UZNKOMYSWQAHAZ-UHFFFAOYSA-N	1	0	356.401	1.365	20	30		FDEDRO
CC[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1	ZINC000330230537	537652771	/nfs/dbraw/zinc/65/27/71/537652771.db2.gz	DMTMLRBXHQLGSV-JYJNAYRXSA-N	1	0	353.463	1.081	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCSC1	ZINC000330230228	537653022	/nfs/dbraw/zinc/65/30/22/537653022.db2.gz	WKKHSTPAJLRGHD-KRWDZBQOSA-N	1	0	366.535	1.913	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(OC)c(S(=O)(=O)NC)c2)C1	ZINC000330515316	537658078	/nfs/dbraw/zinc/65/80/78/537658078.db2.gz	VMFFCYGZRFJIHH-CYBMUJFWSA-N	1	0	355.460	1.392	20	30		FDEDRO
CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCC(OCC[NH+](C)C)CC1	ZINC000331003140	537663845	/nfs/dbraw/zinc/66/38/45/537663845.db2.gz	OTKMYJQEXSPUPT-INIZCTEOSA-N	1	0	354.495	1.342	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1	ZINC000294997197	537709981	/nfs/dbraw/zinc/70/99/81/537709981.db2.gz	VGUWIAIVVZCSGW-UHFFFAOYSA-N	1	0	373.497	1.710	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C	ZINC000295329792	537712192	/nfs/dbraw/zinc/71/21/92/537712192.db2.gz	OWWPLUSZIRZFRF-MELADBBJSA-N	1	0	368.478	1.622	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000298483857	537721218	/nfs/dbraw/zinc/72/12/18/537721218.db2.gz	XQCONAFRPPPOPV-LJQANCHMSA-N	1	0	366.465	1.770	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)NCCCn1cc(CO)nn1)C(C)C	ZINC000292518048	537742375	/nfs/dbraw/zinc/74/23/75/537742375.db2.gz	RXIJLNRMRLCXMD-QGZVFWFLSA-N	1	0	364.494	1.158	20	30		FDEDRO
Cc1oc(NC(=O)CN(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(C#N)c1C	ZINC000371260715	537792925	/nfs/dbraw/zinc/79/29/25/537792925.db2.gz	QDMJYZNECWMWMA-KRWDZBQOSA-N	1	0	373.501	1.807	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CO	ZINC000366654200	537811578	/nfs/dbraw/zinc/81/15/78/537811578.db2.gz	OKUKVUZNFBIOOP-IAGOWNOFSA-N	1	0	363.483	1.477	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)NCCSCc2ccccc2C#N)CC[C@@H]1[NH3+]	ZINC000418909974	537837972	/nfs/dbraw/zinc/83/79/72/537837972.db2.gz	AUJBPLHPRPQNMB-BBRMVZONSA-N	1	0	360.483	1.103	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCc3nn(CCC)c(=O)cc3C2)CC1	ZINC000376198188	537845742	/nfs/dbraw/zinc/84/57/42/537845742.db2.gz	SFQZEHSXIBCFJR-UHFFFAOYSA-N	1	0	359.474	1.371	20	30		FDEDRO
CC[NH+](CC)CCCC1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1	ZINC000409506641	537855590	/nfs/dbraw/zinc/85/55/90/537855590.db2.gz	DDVXZWAUUVALRK-KRWDZBQOSA-N	1	0	372.535	1.290	20	30		FDEDRO
N#Cc1cccc(CS(=O)(=O)N2C[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)c1	ZINC000372178623	537891680	/nfs/dbraw/zinc/89/16/80/537891680.db2.gz	LJASQTJHPMRALR-ZWKOTPCHSA-N	1	0	359.426	1.954	20	30		FDEDRO
Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CCC(C#N)CC2)c1	ZINC000410488030	537901156	/nfs/dbraw/zinc/90/11/56/537901156.db2.gz	FQCNPQMCZHGSIE-UHFFFAOYSA-N	1	0	356.470	1.647	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H](CN(C)[C@@H](C)C(=O)N(C)CCC#N)[C@@H]1c1cnn(C)c1	ZINC000372533385	537971504	/nfs/dbraw/zinc/97/15/04/537971504.db2.gz	RRVWNPDEWPDRSG-JENIJYKNSA-N	1	0	374.533	1.885	20	30		FDEDRO
Cc1cc(=NC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)[nH]n1CCC#N	ZINC000368463087	537981681	/nfs/dbraw/zinc/98/16/81/537981681.db2.gz	WCAAQZCCDAYTLO-UHFFFAOYSA-N	1	0	374.489	2.071	20	30		FDEDRO
COCCCN1CCCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1	ZINC000372675303	537998585	/nfs/dbraw/zinc/99/85/85/537998585.db2.gz	VHHVCEGTWVHEEN-UHFFFAOYSA-N	1	0	373.425	1.569	20	30		FDEDRO
C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1	ZINC000369218069	538005173	/nfs/dbraw/zinc/00/51/73/538005173.db2.gz	FLSRDPXOQSSJGB-HKUYNNGSSA-N	1	0	355.486	1.541	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1	ZINC000369301095	538012838	/nfs/dbraw/zinc/01/28/38/538012838.db2.gz	ADFIHJKOHCKYBB-SJLPKXTDSA-N	1	0	359.474	1.301	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H](F)C2CN(C(=O)OC(C)(C)C)C2)CC1	ZINC000377915616	538043312	/nfs/dbraw/zinc/04/33/12/538043312.db2.gz	HIIKHWLYHOVKOX-HNNXBMFYSA-N	1	0	355.454	1.958	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)CN2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)c1C	ZINC000419333298	538044317	/nfs/dbraw/zinc/04/43/17/538044317.db2.gz	UCMBLHBNPGRGEG-ROUUACIJSA-N	1	0	372.513	1.937	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)ccc1OCC(F)(F)F	ZINC000415449528	538053473	/nfs/dbraw/zinc/05/34/73/538053473.db2.gz	IVYLIUUTNQHBTR-GFCCVEGCSA-N	1	0	370.331	1.291	20	30		FDEDRO
COC(=O)[C@H]1CN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1(C)C	ZINC000378005941	538056325	/nfs/dbraw/zinc/05/63/25/538056325.db2.gz	ZVJCUHHPBSQFJT-OAHLLOKOSA-N	1	0	350.440	1.463	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])cc1Br	ZINC000415491025	538070500	/nfs/dbraw/zinc/07/05/00/538070500.db2.gz	WCOACKVSPOKDBV-LLVKDONJSA-N	1	0	351.204	1.209	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O	ZINC000373051411	538088179	/nfs/dbraw/zinc/08/81/79/538088179.db2.gz	ILRYDWBVUSRDIN-MQVJKMGUSA-N	1	0	357.410	1.924	20	30		FDEDRO
CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]Cc2cnc3ccc(C#N)cn23)C1=O	ZINC000371087496	538098889	/nfs/dbraw/zinc/09/88/89/538098889.db2.gz	BIEHSSLXATVAGN-UGSOOPFHSA-N	1	0	352.398	1.016	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)C1	ZINC000423739632	538155938	/nfs/dbraw/zinc/15/59/38/538155938.db2.gz	RJPMEONUXPBSEQ-DDBAPUKQSA-N	1	0	354.454	1.338	20	30		FDEDRO
C[NH+](C)CC[C@](C)(O)CNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000419997981	538181541	/nfs/dbraw/zinc/18/15/41/538181541.db2.gz	MFRYOFIEMVZVOV-BEFAXECRSA-N	1	0	362.449	1.343	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC1(C)CC[NH2+]CC1	ZINC000420061777	538201266	/nfs/dbraw/zinc/20/12/66/538201266.db2.gz	BDBMTOKRZSGUOJ-UHFFFAOYSA-N	1	0	356.470	1.803	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1	ZINC000424055218	538225457	/nfs/dbraw/zinc/22/54/57/538225457.db2.gz	QZQWHRFUNNJWLV-YCPHGPKFSA-N	1	0	365.499	1.596	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1CCCN(C(=O)CCc2ccccc2)CC1	ZINC000424110519	538235861	/nfs/dbraw/zinc/23/58/61/538235861.db2.gz	YVSMVWYMJAEMSM-SFHVURJKSA-N	1	0	356.470	1.701	20	30		FDEDRO
CN(C)C(=O)C1([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCCCC1	ZINC000451416536	538246514	/nfs/dbraw/zinc/24/65/14/538246514.db2.gz	XRPZTYQBDYMSCI-UHFFFAOYSA-N	1	0	363.483	1.713	20	30		FDEDRO
COC(=O)[C@@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)C[C@H]1c1ccc(F)cc1F	ZINC000424218261	538256092	/nfs/dbraw/zinc/25/60/92/538256092.db2.gz	RVTIEIDAYMMZTG-SQWLQELKSA-N	1	0	365.380	1.701	20	30		FDEDRO
COC(=O)[C@@]1(c2ccccc2)CC[N@H+](CC(=O)N(CCC#N)CCC#N)C1	ZINC000428821463	538319047	/nfs/dbraw/zinc/31/90/47/538319047.db2.gz	WOLWZOQBGHUACF-FQEVSTJZSA-N	1	0	368.437	1.459	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNC(=O)C(=O)Nc2cccc(C)c2C#N)CC1	ZINC000441851099	538340109	/nfs/dbraw/zinc/34/01/09/538340109.db2.gz	RXTCXHSOQQOMCA-UHFFFAOYSA-N	1	0	372.469	1.811	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1	ZINC000437385319	538415914	/nfs/dbraw/zinc/41/59/14/538415914.db2.gz	MAHMLMODHDMLCO-AWEZNQCLSA-N	1	0	373.457	1.523	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1	ZINC000460773341	538495166	/nfs/dbraw/zinc/49/51/66/538495166.db2.gz	JQQYUYYPYIYEIK-ROUUACIJSA-N	1	0	374.533	1.922	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)C3C[NH+](C4CCCCC4)C3)CC2)nc1	ZINC000457488356	538496182	/nfs/dbraw/zinc/49/61/82/538496182.db2.gz	JPRPSWKRIZDWGD-UHFFFAOYSA-N	1	0	353.470	1.866	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+](C)[C@@]2(CO)CCOC2)c(OC)c1	ZINC000461366639	538512157	/nfs/dbraw/zinc/51/21/57/538512157.db2.gz	PABNYEMJPXTQMK-VQIMIIECSA-N	1	0	351.443	1.247	20	30		FDEDRO
CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000482160188	538613341	/nfs/dbraw/zinc/61/33/41/538613341.db2.gz	ZHCWRKLEZOVXPS-ZIAGYGMSSA-N	1	0	366.487	1.072	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OCC(=O)OC)cc1	ZINC000467192540	538625611	/nfs/dbraw/zinc/62/56/11/538625611.db2.gz	UXXZKRRWVOQYSK-OLZOCXBDSA-N	1	0	363.414	1.289	20	30		FDEDRO
COc1nccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1	ZINC000458906960	538651412	/nfs/dbraw/zinc/65/14/12/538651412.db2.gz	AOVPTWDDXOEGAP-UHFFFAOYSA-N	1	0	368.441	1.630	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000495543373	538670438	/nfs/dbraw/zinc/67/04/38/538670438.db2.gz	BDWIEKYNVZZRIO-CVEARBPZSA-N	1	0	372.469	1.367	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F	ZINC000483103971	538673785	/nfs/dbraw/zinc/67/37/85/538673785.db2.gz	LSFXZLHOAHPHQM-ZDUSSCGKSA-N	1	0	359.348	1.970	20	30		FDEDRO
C[C@@H](C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1)n1cnc(C#N)n1	ZINC000456344771	538697021	/nfs/dbraw/zinc/69/70/21/538697021.db2.gz	RWMMXNJIEBMVFC-HOTGVXAUSA-N	1	0	352.442	1.691	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[N@H+](C)CC[C@H]2C)cc1	ZINC000483448160	538701546	/nfs/dbraw/zinc/70/15/46/538701546.db2.gz	PLDGRQYZEJGPLR-KGLIPLIRSA-N	1	0	364.471	1.930	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C	ZINC000488215724	538725193	/nfs/dbraw/zinc/72/51/93/538725193.db2.gz	ITQMEIIJJRMQKM-HZPDHXFCSA-N	1	0	351.491	1.559	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)c1C#N	ZINC000472999881	538731617	/nfs/dbraw/zinc/73/16/17/538731617.db2.gz	JWCBNRJIYISNLL-UHFFFAOYSA-N	1	0	353.430	1.024	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(NC(=O)C2(c3ccc(C#N)cc3)CC2)CC1	ZINC000473544599	538780131	/nfs/dbraw/zinc/78/01/31/538780131.db2.gz	OHKVLPDGKWAVBL-UHFFFAOYSA-N	1	0	368.481	1.649	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)Nc2cccc(C)c2C#N)C1	ZINC000473708129	538794559	/nfs/dbraw/zinc/79/45/59/538794559.db2.gz	YRVSMNVKGWVRCN-INIZCTEOSA-N	1	0	372.469	1.765	20	30		FDEDRO
N#CCC1(CNC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1	ZINC000485371397	538838412	/nfs/dbraw/zinc/83/84/12/538838412.db2.gz	IGAQKJSCANYVRC-UHFFFAOYSA-N	1	0	355.486	1.797	20	30		FDEDRO
Cn1ncc(C(=O)N2CCC[C@H]([N@H+](C)Cc3ccccn3)CC2)c1C#N	ZINC000476013347	538853508	/nfs/dbraw/zinc/85/35/08/538853508.db2.gz	RWNFYQIXQGUYFT-INIZCTEOSA-N	1	0	352.442	1.813	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1CCCC	ZINC000560793345	545606496	/nfs/dbraw/zinc/60/64/96/545606496.db2.gz	JAINQLCFJPPTPB-SQNIBIBYSA-N	1	0	365.518	1.855	20	30		FDEDRO
N#Cc1cccc(OC2CCN(C(=O)NCCN3CC[NH2+]CC3)CC2)c1	ZINC000561203654	545743534	/nfs/dbraw/zinc/74/35/34/545743534.db2.gz	JQUFUINSRNGTHT-UHFFFAOYSA-N	1	0	357.458	1.016	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2C[C@H](OCC)C2(C)C)CC1	ZINC000561414715	545838503	/nfs/dbraw/zinc/83/85/03/545838503.db2.gz	MOMUIIUKORYLFK-CVEARBPZSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](Nc3ccccc3)C2)CC1	ZINC000561453270	545858255	/nfs/dbraw/zinc/85/82/55/545858255.db2.gz	FKVNEKDZQVQWIO-IBGZPJMESA-N	1	0	370.497	1.856	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000562521617	546165474	/nfs/dbraw/zinc/16/54/74/546165474.db2.gz	SHLWBGMYOPTBNV-MSOLQXFVSA-N	1	0	366.483	1.781	20	30		FDEDRO
CC1(C)COC[C@H]1[NH2+]CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000562738076	546249646	/nfs/dbraw/zinc/24/96/46/546249646.db2.gz	OCUXWTNHRZXFDH-QZTJIDSGSA-N	1	0	374.460	1.549	20	30		FDEDRO
C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1	ZINC000563118351	546413927	/nfs/dbraw/zinc/41/39/27/546413927.db2.gz	DYCZLKBTVAHPII-LLVKDONJSA-N	1	0	372.288	1.941	20	30		FDEDRO
C[C@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)C(=O)NCC[NH+](C)C	ZINC000563404157	546521550	/nfs/dbraw/zinc/52/15/50/546521550.db2.gz	RWMHOQQRMKHHKT-LBPRGKRZSA-N	1	0	355.398	1.009	20	30		FDEDRO
CC(C)[NH2+]CCCNC(=O)C(=O)N1CCCN(c2ccccc2C#N)CC1	ZINC000563648544	546631723	/nfs/dbraw/zinc/63/17/23/546631723.db2.gz	ZYLKXXPXHXXJKS-UHFFFAOYSA-N	1	0	371.485	1.101	20	30		FDEDRO
CC(C)[NH2+]CCCNC(=O)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	ZINC000563648511	546631822	/nfs/dbraw/zinc/63/18/22/546631822.db2.gz	YKGRNUBJMYZRKE-ROUUACIJSA-N	1	0	356.470	1.789	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1	ZINC000564543464	546947538	/nfs/dbraw/zinc/94/75/38/546947538.db2.gz	OWHNJWNAHQDMFK-LJQANCHMSA-N	1	0	366.465	1.770	20	30		FDEDRO
N#Cc1ncn(CC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)n1	ZINC000565108893	547205374	/nfs/dbraw/zinc/20/53/74/547205374.db2.gz	WZKHIHOUBCAPBU-KRWDZBQOSA-N	1	0	352.442	1.568	20	30		FDEDRO
Cc1ncc2c(n1)CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C2	ZINC000565593885	547409442	/nfs/dbraw/zinc/40/94/42/547409442.db2.gz	LHZYAFICYVWNMM-MRXNPFEDSA-N	1	0	356.451	1.578	20	30		FDEDRO
Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000565829071	547498230	/nfs/dbraw/zinc/49/82/30/547498230.db2.gz	SXRWHSGLZCNWGP-CYBMUJFWSA-N	1	0	360.483	1.903	20	30		FDEDRO
CO[C@H](CC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C(F)(F)F	ZINC000566123471	547614628	/nfs/dbraw/zinc/61/46/28/547614628.db2.gz	AAWOFYYJGVHDGK-LLVKDONJSA-N	1	0	351.350	1.284	20	30		FDEDRO
CO[C@@H](CC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C(F)(F)F	ZINC000566123472	547614639	/nfs/dbraw/zinc/61/46/39/547614639.db2.gz	AAWOFYYJGVHDGK-NSHDSACASA-N	1	0	351.350	1.284	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NCCC2=CC[NH2+]CC2)CCN1Cc1ccccc1	ZINC000566611083	547825361	/nfs/dbraw/zinc/82/53/61/547825361.db2.gz	ZHCSWEBOOVJKDE-LJQANCHMSA-N	1	0	353.470	1.716	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(C)CCOCc1ccc(C#N)cc1	ZINC000566877335	547916914	/nfs/dbraw/zinc/91/69/14/547916914.db2.gz	HNILOLAKBAHIAX-QGZVFWFLSA-N	1	0	373.501	1.352	20	30		FDEDRO
CS(=O)(=O)c1ccc(OCC[NH2+]Cc2cnc3c(C#N)cnn3c2)cc1	ZINC000566931280	547935871	/nfs/dbraw/zinc/93/58/71/547935871.db2.gz	PRNVURYTLAYZOT-UHFFFAOYSA-N	1	0	371.422	1.173	20	30		FDEDRO
CCn1cc([C@H]2OCC[C@@H]2[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)cn1	ZINC000566969774	547947681	/nfs/dbraw/zinc/94/76/81/547947681.db2.gz	NYLJIQYJXSJMTE-NZSAHSFTSA-N	1	0	356.426	1.634	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)C[C@@H]21	ZINC000567024779	547967481	/nfs/dbraw/zinc/96/74/81/547967481.db2.gz	HVXQLCXIPKEQGA-CPFNUKBASA-N	1	0	369.469	1.989	20	30		FDEDRO
CSC1(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCOCC1	ZINC000567043338	547974140	/nfs/dbraw/zinc/97/41/40/547974140.db2.gz	RBBQERIMPSTNNH-UHFFFAOYSA-N	1	0	354.497	1.834	20	30		FDEDRO
C=CCn1c2nnc(SC[C@@H](O)C[N@@H+](C)CC)n2c2ccccc2c1=O	ZINC000567367035	548094685	/nfs/dbraw/zinc/09/46/85/548094685.db2.gz	RVAIHCQAPLMOAQ-ZDUSSCGKSA-N	1	0	373.482	1.635	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1	ZINC000567569999	548164102	/nfs/dbraw/zinc/16/41/02/548164102.db2.gz	WRBHREAEBLBAIH-JKSUJKDBSA-N	1	0	364.405	1.459	20	30		FDEDRO
CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]C[C@H](O)CN(C)CCC#N)c1	ZINC000567726582	548231079	/nfs/dbraw/zinc/23/10/79/548231079.db2.gz	LRYQADWJDNBHPE-HNNXBMFYSA-N	1	0	373.906	1.430	20	30		FDEDRO
N#Cc1cccc(-c2nnc(CN3CCC(CO)([NH2+]CC4CC4)CC3)o2)c1	ZINC000568399268	548522695	/nfs/dbraw/zinc/52/26/95/548522695.db2.gz	HEDRGNCJRNCLKS-UHFFFAOYSA-N	1	0	367.453	1.935	20	30		FDEDRO
C[C@H]1CN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1	ZINC000568753335	548666058	/nfs/dbraw/zinc/66/60/58/548666058.db2.gz	OLDIYMBUMBVTJW-MAUKXSAKSA-N	1	0	357.458	1.924	20	30		FDEDRO
C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C	ZINC000568840703	548697626	/nfs/dbraw/zinc/69/76/26/548697626.db2.gz	LFJLAVGXEPVEER-KGLIPLIRSA-N	1	0	358.494	1.877	20	30		FDEDRO
C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C	ZINC000568840705	548697696	/nfs/dbraw/zinc/69/76/96/548697696.db2.gz	LFJLAVGXEPVEER-ZIAGYGMSSA-N	1	0	358.494	1.877	20	30		FDEDRO
N#Cc1csc(CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)n1	ZINC000568966870	548748742	/nfs/dbraw/zinc/74/87/42/548748742.db2.gz	KISSPFKKBKSXIA-GASCZTMLSA-N	1	0	352.419	1.632	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000569258671	548854454	/nfs/dbraw/zinc/85/44/54/548854454.db2.gz	JEDVCZJNQXAGOP-DLBZAZTESA-N	1	0	351.491	1.343	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(c2cnccc2C#N)CC1	ZINC000569298352	548865799	/nfs/dbraw/zinc/86/57/99/548865799.db2.gz	QXOYMWMVJGKIDP-WMLDXEAASA-N	1	0	354.458	1.268	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCN(c3cnccc3C#N)CC2)C1	ZINC000569303280	548866135	/nfs/dbraw/zinc/86/61/35/548866135.db2.gz	OZYDOEUTBYYUML-INIZCTEOSA-N	1	0	356.474	1.515	20	30		FDEDRO
COC[C@@H](C)CS(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000569411353	548907531	/nfs/dbraw/zinc/90/75/31/548907531.db2.gz	FKDMINWEOCJDIB-OAHLLOKOSA-N	1	0	353.488	1.534	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1	ZINC000569736391	549031600	/nfs/dbraw/zinc/03/16/00/549031600.db2.gz	QLRHHYILRAAOAS-BZSNNMDCSA-N	1	0	365.518	1.568	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CC[C@H]2C(=O)Nc3ccccc32)nc1	ZINC000569803218	549052672	/nfs/dbraw/zinc/05/26/72/549052672.db2.gz	IDNNQHDCGUUBHE-OAHLLOKOSA-N	1	0	370.434	1.443	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]CCc2nnc3n2CCCCC3)c1	ZINC000570272479	549219471	/nfs/dbraw/zinc/21/94/71/549219471.db2.gz	FPFKQCSHUOMAJZ-UHFFFAOYSA-N	1	0	373.482	1.482	20	30		FDEDRO
N#Cc1c(NC(=O)CC[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)sc2c1CCCC2	ZINC000570368597	549254089	/nfs/dbraw/zinc/25/40/89/549254089.db2.gz	MHFUJZDAUPZWOQ-BETUJISGSA-N	1	0	372.450	1.032	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1	ZINC000570380198	549258088	/nfs/dbraw/zinc/25/80/88/549258088.db2.gz	JOLODLHBBALHQM-HNNXBMFYSA-N	1	0	356.426	1.496	20	30		FDEDRO
CSC1(CNC(=O)C(=O)Nc2cccc(C)c2C#N)CC[NH+](C)CC1	ZINC000570558598	549324298	/nfs/dbraw/zinc/32/42/98/549324298.db2.gz	UVVWYPRDVUCVHZ-UHFFFAOYSA-N	1	0	360.483	1.749	20	30		FDEDRO
COC(=O)c1cccc(C[N@@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)c1C#N	ZINC000570780239	549407338	/nfs/dbraw/zinc/40/73/38/549407338.db2.gz	JDUSLTJGCSIZFC-OAQYLSRUSA-N	1	0	363.417	1.974	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@]23CCNC3=O)c(OC)c1	ZINC000571342025	549611293	/nfs/dbraw/zinc/61/12/93/549611293.db2.gz	UBDRXBBVMJXEPR-OXJNMPFZSA-N	1	0	360.454	1.518	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)n1	ZINC000571401213	549631027	/nfs/dbraw/zinc/63/10/27/549631027.db2.gz	SWPHQLRTAMAJPI-UHFFFAOYSA-N	1	0	363.421	1.804	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]C2CCN(CC(F)(F)F)CC2)cc1	ZINC000571432393	549643630	/nfs/dbraw/zinc/64/36/30/549643630.db2.gz	CFRVJKHXSQRTLT-HNNXBMFYSA-N	1	0	357.376	1.914	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1[NH2+]CCCC1(C)C	ZINC000571657289	549725690	/nfs/dbraw/zinc/72/56/90/549725690.db2.gz	QIJNUYQDFPMKKW-GDBMZVCRSA-N	1	0	371.489	1.347	20	30		FDEDRO
C=CCC[C@@H](NC(=O)C(=O)N1CCN(CCOCC)CC1)c1ccccc1	ZINC000571713484	549740401	/nfs/dbraw/zinc/74/04/01/549740401.db2.gz	RHGCUYZYQMGRMM-LJQANCHMSA-N	1	0	373.497	1.991	20	30		FDEDRO
Cc1nc(SCC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c(C#N)c(C)c1C	ZINC000572373877	549900445	/nfs/dbraw/zinc/90/04/45/549900445.db2.gz	XJKUUSIOBSVUOJ-MRXNPFEDSA-N	1	0	373.526	1.477	20	30		FDEDRO
COC(=O)[C@@H](C)CN(CCS(=O)(=O)c1ccc(C#N)cn1)C1CC1	ZINC000572440146	549915138	/nfs/dbraw/zinc/91/51/38/549915138.db2.gz	SEMIYMLXLRBFLB-LBPRGKRZSA-N	1	0	351.428	1.000	20	30		FDEDRO
C=CCc1cc(CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])cc(OC)c1OC	ZINC000573001177	550043203	/nfs/dbraw/zinc/04/32/03/550043203.db2.gz	GSWIEUAVYHZUOV-STQMWFEESA-N	1	0	363.458	1.291	20	30		FDEDRO
N#Cc1cc(Br)ccc1Cn1cnc2c(c1=O)CC[NH2+]CC2	ZINC000573244178	550096051	/nfs/dbraw/zinc/09/60/51/550096051.db2.gz	UXGDNZAQJGNTQQ-UHFFFAOYSA-N	1	0	359.227	1.614	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(N)=O)c(F)c2)CC1	ZINC000573347473	550117972	/nfs/dbraw/zinc/11/79/72/550117972.db2.gz	DEZCQFCKJDCWGP-UHFFFAOYSA-N	1	0	362.405	1.020	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c1	ZINC000573557172	550163467	/nfs/dbraw/zinc/16/34/67/550163467.db2.gz	VIUVJNLVVSWQIM-RDJZCZTQSA-N	1	0	366.508	1.976	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCN(CC(F)(F)F)C2)cc1	ZINC000573794398	550211950	/nfs/dbraw/zinc/21/19/50/550211950.db2.gz	KHYDECSDHVLKAQ-GJZGRUSLSA-N	1	0	357.376	1.719	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1	ZINC000573935731	550234744	/nfs/dbraw/zinc/23/47/44/550234744.db2.gz	OAVIUYRVSJBKDA-SJLPKXTDSA-N	1	0	364.515	1.714	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]C1CCC(Oc2ncccc2C#N)CC1	ZINC000574150986	550265879	/nfs/dbraw/zinc/26/58/79/550265879.db2.gz	MHZRDHXONLXVCZ-LXPRWKDFSA-N	1	0	357.458	1.439	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCCN(c3cccnc3)C2=O)cc1	ZINC000574311899	550293686	/nfs/dbraw/zinc/29/36/86/550293686.db2.gz	FIVXKEQFDNRKNY-PKOBYXMFSA-N	1	0	366.421	1.478	20	30		FDEDRO
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCc1ccc(CC#N)cc1	ZINC000574317791	550295150	/nfs/dbraw/zinc/29/51/50/550295150.db2.gz	ZDPPHZHAAMMSEV-UHFFFAOYSA-N	1	0	357.502	1.920	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC2(CC[NH2+]CC2)CC1	ZINC000574321990	550295625	/nfs/dbraw/zinc/29/56/25/550295625.db2.gz	MZXOMYZPYHPJRN-UHFFFAOYSA-N	1	0	364.427	1.621	20	30		FDEDRO
C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000574620933	550343413	/nfs/dbraw/zinc/34/34/13/550343413.db2.gz	UXEHVXFIUQYXHX-SMDDNHRTSA-N	1	0	355.402	1.373	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCc4nnnn4CC3)CC2)cc1	ZINC000574868364	550383819	/nfs/dbraw/zinc/38/38/19/550383819.db2.gz	YOBHIOOPKJRUJI-QGZVFWFLSA-N	1	0	351.458	1.504	20	30		FDEDRO
CC(C)Cn1nc(C(=O)N[C@](C)(C#N)CN(C)C)c2ccccc2c1=O	ZINC000575049763	550415773	/nfs/dbraw/zinc/41/57/73/550415773.db2.gz	NMLJBVOGCIPONA-LJQANCHMSA-N	1	0	355.442	1.626	20	30		FDEDRO
COc1ccc(Cl)cc1N1CC[C@@H]([NH2+]C[C@H](O)CN(C)CCC#N)C1	ZINC000575248417	550449743	/nfs/dbraw/zinc/44/97/43/550449743.db2.gz	GUQIOHPAIZOUHY-CVEARBPZSA-N	1	0	366.893	1.723	20	30		FDEDRO
O=C(NCC#Cc1cccc(F)c1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000575774592	550474642	/nfs/dbraw/zinc/47/46/42/550474642.db2.gz	HLNRLOHMSUDDNC-NRFANRHFSA-N	1	0	352.409	1.930	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H](C)C1CCN(S(=O)(=O)CC)CC1	ZINC000576024399	550502716	/nfs/dbraw/zinc/50/27/16/550502716.db2.gz	YDHSYZOBKVZTLM-MRXNPFEDSA-N	1	0	373.563	1.793	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C(=O)Nc2cccc(C#N)n2)CC[N@@H+]1Cc1ccccc1	ZINC000576582066	550564733	/nfs/dbraw/zinc/56/47/33/550564733.db2.gz	XENAJYGZCZTSKE-PBHICJAKSA-N	1	0	363.421	1.671	20	30		FDEDRO
N#Cc1cccc(NC(=O)C2CCN(C(=O)NCC3CC[NH2+]CC3)CC2)c1	ZINC000577208525	550632600	/nfs/dbraw/zinc/63/26/00/550632600.db2.gz	PDRHQGASLONEMQ-UHFFFAOYSA-N	1	0	369.469	1.918	20	30		FDEDRO
COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1	ZINC000577497076	550662921	/nfs/dbraw/zinc/66/29/21/550662921.db2.gz	RTKTUTNIBLNABC-XJKSGUPXSA-N	1	0	360.414	1.830	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@@]2(c3ccccc3)CCC(=O)NC2)CC1	ZINC000577863170	550703066	/nfs/dbraw/zinc/70/30/66/550703066.db2.gz	ULVRXRSILIFHMV-NRFANRHFSA-N	1	0	355.482	1.991	20	30		FDEDRO
[NH3+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1	ZINC000578224591	550741303	/nfs/dbraw/zinc/74/13/03/550741303.db2.gz	HSNWQSFKKKIDBV-KRWDZBQOSA-N	1	0	362.433	1.617	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ncc1C#N	ZINC000578246622	550744536	/nfs/dbraw/zinc/74/45/36/550744536.db2.gz	WRLOBELMGCYXTM-HUUCEWRRSA-N	1	0	369.469	1.969	20	30		FDEDRO
N#C[C@H]1N(CC(=O)NC2CC[NH+](C3CC3)CC2)CCC[C@]12CCCCO2	ZINC000579077381	550832365	/nfs/dbraw/zinc/83/23/65/550832365.db2.gz	RMRGJPHGVIPKGA-UYAOXDASSA-N	1	0	360.502	1.657	20	30		FDEDRO
C[C@@]1(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCC[NH2+]C1	ZINC000579098133	550835131	/nfs/dbraw/zinc/83/51/31/550835131.db2.gz	FPHHZVGVIIDPIT-FXAWDEMLSA-N	1	0	369.469	1.348	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H](CCO)c2ccccc2)nc1	ZINC000579592699	550890227	/nfs/dbraw/zinc/89/02/27/550890227.db2.gz	CPTBKDKFMMMYHQ-QGZVFWFLSA-N	1	0	359.451	1.483	20	30		FDEDRO
Cc1c(C(=O)N[C@@](C)(C#N)CN(C)C)nnn1-c1cccc2cnccc21	ZINC000579598589	550890852	/nfs/dbraw/zinc/89/08/52/550890852.db2.gz	KYFBCOWHFFJDQT-IBGZPJMESA-N	1	0	363.425	1.698	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c([N+](=O)[O-])c1	ZINC000579598067	550891061	/nfs/dbraw/zinc/89/10/61/550891061.db2.gz	PGPGTDXGVCERFJ-LBPRGKRZSA-N	1	0	356.304	1.967	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000579827893	550914285	/nfs/dbraw/zinc/91/42/85/550914285.db2.gz	ZGQDSZXULJGTKL-RBUKOAKNSA-N	1	0	358.486	1.016	20	30		FDEDRO
C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NC1CCC(Oc2ncccc2C#N)CC1	ZINC000580192400	550953263	/nfs/dbraw/zinc/95/32/63/550953263.db2.gz	NAHSNFMEDPXVLK-KCNJBTMXSA-N	1	0	373.457	1.001	20	30		FDEDRO
CS(=O)(=O)C1CCC([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000580315867	550966208	/nfs/dbraw/zinc/96/62/08/550966208.db2.gz	NLDPDAXIVISXJA-PQUAAJSLSA-N	1	0	366.483	1.438	20	30		FDEDRO
N#Cc1ccc(OC2CCC(NC(=O)N3CCCO[C@@H](C[NH3+])C3)CC2)nc1	ZINC000580412635	550979119	/nfs/dbraw/zinc/97/91/19/550979119.db2.gz	PQCPULXLTWDQCE-JCYILVPMSA-N	1	0	373.457	1.402	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2ccc(CC#N)cc2)CC1	ZINC000580439288	550982576	/nfs/dbraw/zinc/98/25/76/550982576.db2.gz	VBMFIBQZZQHWLT-UHFFFAOYSA-N	1	0	371.485	1.448	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)n(CCC#N)n1	ZINC000580592476	550998457	/nfs/dbraw/zinc/99/84/57/550998457.db2.gz	XXUOQTKLZLGPQP-HUUCEWRRSA-N	1	0	358.446	1.129	20	30		FDEDRO
CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1cc(C)nn1CCC#N	ZINC000580669142	551006353	/nfs/dbraw/zinc/00/63/53/551006353.db2.gz	OIPAWJPZMCTIBU-UHFFFAOYSA-N	1	0	374.489	1.768	20	30		FDEDRO
C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000580828588	551022711	/nfs/dbraw/zinc/02/27/11/551022711.db2.gz	CTGBVHFXQXCHNC-IHPCNDPISA-N	1	0	360.502	1.072	20	30		FDEDRO
CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCc1ccc(CC#N)cc1	ZINC000580893106	551030051	/nfs/dbraw/zinc/03/00/51/551030051.db2.gz	WNJGCIZUCRIABY-GOSISDBHSA-N	1	0	356.470	1.702	20	30		FDEDRO
CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)cc1	ZINC000581301386	551073787	/nfs/dbraw/zinc/07/37/87/551073787.db2.gz	WWBWSYWJRMNLKY-FZKQIMNGSA-N	1	0	363.483	1.939	20	30		FDEDRO
C[C@@H]1CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@]1(C)C[NH3+]	ZINC000581478327	551092946	/nfs/dbraw/zinc/09/29/46/551092946.db2.gz	DORRUYQOKUQIAA-CFLQYTFWSA-N	1	0	369.469	1.285	20	30		FDEDRO
COc1ccc(CC[NH2+]Cc2nc(C#N)cs2)cc1S(N)(=O)=O	ZINC000582055572	551169116	/nfs/dbraw/zinc/16/91/16/551169116.db2.gz	UWZFWPMRSQZGRK-UHFFFAOYSA-N	1	0	352.441	1.003	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]CCNC(=O)c2ccc(F)cc2)cc1	ZINC000582482229	551230069	/nfs/dbraw/zinc/23/00/69/551230069.db2.gz	XEZSMURSFXBQSA-KRWDZBQOSA-N	1	0	357.385	1.457	20	30		FDEDRO
C=CCC1(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CCOCC1	ZINC000582600846	551246426	/nfs/dbraw/zinc/24/64/26/551246426.db2.gz	CGMQARDRYRDINH-UHFFFAOYSA-N	1	0	358.486	1.823	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1	ZINC000582615731	551248359	/nfs/dbraw/zinc/24/83/59/551248359.db2.gz	DCJCIWFCMXIDCL-UHFFFAOYSA-N	1	0	364.534	1.335	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1	ZINC000582893318	551278115	/nfs/dbraw/zinc/27/81/15/551278115.db2.gz	SLXVUXFFXQNWAW-UHFFFAOYSA-N	1	0	356.426	1.498	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCc2nc(CC)nn2C1	ZINC000584072123	551443168	/nfs/dbraw/zinc/44/31/68/551443168.db2.gz	SSNOLFWJIUVFSR-IAGOWNOFSA-N	1	0	356.470	1.913	20	30		FDEDRO
Cc1cccc(C[C@H](CO)[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)c1	ZINC000584291854	551476003	/nfs/dbraw/zinc/47/60/03/551476003.db2.gz	KIZANRUIWPIXQD-GOSISDBHSA-N	1	0	358.463	1.834	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](NC(=O)NCC[C@H]3CCC[NH2+]C3)C2=O)cc1	ZINC000584400179	551490834	/nfs/dbraw/zinc/49/08/34/551490834.db2.gz	GQYURMZUJNGGSF-SJLPKXTDSA-N	1	0	369.469	1.348	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21	ZINC000584399582	551491126	/nfs/dbraw/zinc/49/11/26/551491126.db2.gz	WIHOEYUXXICCNO-DNVCBOLYSA-N	1	0	355.486	1.871	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)NCc2ccc(C[NH3+])cc2)CC1	ZINC000584527875	551512432	/nfs/dbraw/zinc/51/24/32/551512432.db2.gz	MZDZWZKNGWNSQW-UHFFFAOYSA-N	1	0	350.426	1.444	20	30		FDEDRO
C[C@@H]1CN(CCC[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C[C@H](C)O1	ZINC000584582476	551522024	/nfs/dbraw/zinc/52/20/24/551522024.db2.gz	PFSDQCDCQBGMFC-ZIFCJYIRSA-N	1	0	361.486	1.581	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2	ZINC000584716696	551535220	/nfs/dbraw/zinc/53/52/20/551535220.db2.gz	LSPOAERBXHMRCI-QINHECLXSA-N	1	0	360.454	1.882	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H]([NH+]2CCOCC2)CC1	ZINC000585716904	551586982	/nfs/dbraw/zinc/58/69/82/551586982.db2.gz	CCYPPDKCQFMNSC-ZWKOTPCHSA-N	1	0	362.518	1.904	20	30		FDEDRO
C[C@@H]1CCC[C@@](CNC(=O)C(=O)NCc2ccc(C#N)cc2F)([NH+](C)C)C1	ZINC000585775496	551597368	/nfs/dbraw/zinc/59/73/68/551597368.db2.gz	JZSABBZMPGLZKC-JLTOFOAXSA-N	1	0	374.460	1.940	20	30		FDEDRO
C[NH+](C)CCn1cc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)cn1	ZINC000587029908	551629857	/nfs/dbraw/zinc/62/98/57/551629857.db2.gz	YIEMNMXZSIOQJS-OAHLLOKOSA-N	1	0	370.432	1.920	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)CC1	ZINC000587290850	551631684	/nfs/dbraw/zinc/63/16/84/551631684.db2.gz	NIELBIGFOIUMKL-HNNXBMFYSA-N	1	0	372.469	1.353	20	30		FDEDRO
CC[N@@H+]1CCN(C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)C[C@H]1C	ZINC000588293397	551664881	/nfs/dbraw/zinc/66/48/81/551664881.db2.gz	QMIPZCZFPSPXGS-KGLIPLIRSA-N	1	0	364.471	1.930	20	30		FDEDRO
CC1(C)CN(C(=O)NCc2ccc(C#N)c(Cl)c2)CC[N@@H+]1CCO	ZINC000588672985	551674596	/nfs/dbraw/zinc/67/45/96/551674596.db2.gz	OLBQCJNGRDPYKN-UHFFFAOYSA-N	1	0	350.850	1.810	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2CN2CCOCC2)cc1	ZINC000589055081	551707223	/nfs/dbraw/zinc/70/72/23/551707223.db2.gz	FKRWTEJQFIFTQJ-RBUKOAKNSA-N	1	0	359.470	1.289	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2snc(C)c2C#N)CC1	ZINC000589642335	551739994	/nfs/dbraw/zinc/73/99/94/551739994.db2.gz	IYGZDMFNYKJTGY-AWEZNQCLSA-N	1	0	362.503	1.639	20	30		FDEDRO
COc1cc(CNC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1C#N	ZINC000589709523	551743835	/nfs/dbraw/zinc/74/38/35/551743835.db2.gz	DOXYSRVYZDYFDZ-IAGOWNOFSA-N	1	0	358.442	1.307	20	30		FDEDRO
CS(=O)(=O)Nc1cccc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1	ZINC000590053140	551758021	/nfs/dbraw/zinc/75/80/21/551758021.db2.gz	MOQNKKFQWPXOTA-KRWDZBQOSA-N	1	0	372.450	1.978	20	30		FDEDRO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC(C[NH+]2CCN(C)CC2)C1	ZINC000590400057	551780251	/nfs/dbraw/zinc/78/02/51/551780251.db2.gz	QVWWICCONSIZKO-HXUWFJFHSA-N	1	0	370.497	1.667	20	30		FDEDRO
CN(C)C(=O)C1([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CCCCC1	ZINC000590755241	551812805	/nfs/dbraw/zinc/81/28/05/551812805.db2.gz	NWPXSBOKHIKKGW-QGZVFWFLSA-N	1	0	359.470	1.873	20	30		FDEDRO
CO[C@@H]1C[C@@H]([N@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C12CCC2	ZINC000590761945	551814021	/nfs/dbraw/zinc/81/40/21/551814021.db2.gz	ALJZTMOYDXEZCF-KZNAEPCWSA-N	1	0	362.518	1.568	20	30		FDEDRO
CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1	ZINC000590831707	551820704	/nfs/dbraw/zinc/82/07/04/551820704.db2.gz	MZYBIKLANOXOCM-UKRRQHHQSA-N	1	0	364.471	1.930	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@H](C4CCC4)C3)CC2)o1	ZINC000591063367	551840793	/nfs/dbraw/zinc/84/07/93/551840793.db2.gz	RXFGQZDZOPDZAF-INIZCTEOSA-N	1	0	357.458	1.625	20	30		FDEDRO
N#Cc1cccc(-c2csc(NC(=O)C(=O)NC[C@@H]3CCCC[NH2+]3)n2)c1	ZINC000591292170	551857073	/nfs/dbraw/zinc/85/70/73/551857073.db2.gz	BUHIYMIQWHLGMJ-AWEZNQCLSA-N	1	0	369.450	1.879	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCCC[NH2+]2)cc1	ZINC000591301841	551858407	/nfs/dbraw/zinc/85/84/07/551858407.db2.gz	QYRRDRVLVCHKEQ-OCCSQVGLSA-N	1	0	350.444	1.636	20	30		FDEDRO
CCCc1c(NC(=O)C(=O)NC[C@H](C)[NH3+])cnn1-c1cccc(C#N)c1	ZINC000591304859	551859554	/nfs/dbraw/zinc/85/95/54/551859554.db2.gz	LUONHZUFQKNJQA-LBPRGKRZSA-N	1	0	354.414	1.098	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)NC[C@H]([NH3+])c3ccccc3)CC2)nc1	ZINC000591350545	551864861	/nfs/dbraw/zinc/86/48/61/551864861.db2.gz	LQBGLGRTECHCNN-SFHVURJKSA-N	1	0	364.453	1.921	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)NC[C@@H]([NH3+])c3ccccc3)CC2)nc1	ZINC000591350544	551864924	/nfs/dbraw/zinc/86/49/24/551864924.db2.gz	LQBGLGRTECHCNN-GOSISDBHSA-N	1	0	364.453	1.921	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)NC[C@H]3CCCC[NH2+]3)C2=O)cc1	ZINC000591356558	551865618	/nfs/dbraw/zinc/86/56/18/551865618.db2.gz	ULTBJSNWKQVBSA-NVXWUHKLSA-N	1	0	355.442	1.495	20	30		FDEDRO
CC1([NH3+])CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000591356500	551865672	/nfs/dbraw/zinc/86/56/72/551865672.db2.gz	BKYJGNZQYNTOKL-INIZCTEOSA-N	1	0	355.442	1.576	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CCO1	ZINC000591356936	551865688	/nfs/dbraw/zinc/86/56/88/551865688.db2.gz	BJYYWOOLYPDJCA-LYAPFXNSSA-N	1	0	373.457	1.401	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CCO1	ZINC000591356938	551865708	/nfs/dbraw/zinc/86/57/08/551865708.db2.gz	BJYYWOOLYPDJCA-YJNKEBTESA-N	1	0	373.457	1.401	20	30		FDEDRO
C[C@]1(CNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CCC[NH2+]C1	ZINC000591360082	551865940	/nfs/dbraw/zinc/86/59/40/551865940.db2.gz	JYARPCIIAUXGIM-IBGZPJMESA-N	1	0	372.473	1.645	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000591360609	551866265	/nfs/dbraw/zinc/86/62/65/551866265.db2.gz	PBFIIXBBKVEDOX-DOMZBBRYSA-N	1	0	358.446	1.253	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)NCc3ccc(C#N)c(Cl)c3)C[C@H]2[NH3+])cn1	ZINC000591691989	551897200	/nfs/dbraw/zinc/89/72/00/551897200.db2.gz	RJHMJSUKXCVTSL-GOEBONIOSA-N	1	0	358.833	1.581	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C2CCN(CC(F)F)CC2)cc1	ZINC000591728819	551904126	/nfs/dbraw/zinc/90/41/26/551904126.db2.gz	SLFSLYXUGUQTRB-UHFFFAOYSA-N	1	0	357.426	1.651	20	30		FDEDRO
N#CCN1CCC(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CC1	ZINC000591846065	551911199	/nfs/dbraw/zinc/91/11/99/551911199.db2.gz	AJNRVUBBQHOILG-AZUAARDMSA-N	1	0	367.497	1.890	20	30		FDEDRO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1	ZINC000591885582	551913394	/nfs/dbraw/zinc/91/33/94/551913394.db2.gz	UYVPIOHEGJAVFJ-KSSFIOAISA-N	1	0	354.454	1.678	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H](O)C[C@H](C(=O)OC)C1)C(C)C	ZINC000591910451	551915792	/nfs/dbraw/zinc/91/57/92/551915792.db2.gz	CYVIYCCGJAHCJB-YESZJQIVSA-N	1	0	367.490	1.250	20	30		FDEDRO
N#CC[C@]1(O)CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1	ZINC000591914749	551916246	/nfs/dbraw/zinc/91/62/46/551916246.db2.gz	IWLCFYIXQSDRGY-KRWDZBQOSA-N	1	0	352.504	1.408	20	30		FDEDRO
N#CC[C@]1(O)CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1	ZINC000591936871	551918619	/nfs/dbraw/zinc/91/86/19/551918619.db2.gz	ITWGNTSBRHPTPT-QUCCMNQESA-N	1	0	356.470	1.959	20	30		FDEDRO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@@H](CCC#N)c1ccccc1	ZINC000591957843	551920354	/nfs/dbraw/zinc/92/03/54/551920354.db2.gz	YNFSNVUHCQAFCQ-WBVHZDCISA-N	1	0	357.458	1.793	20	30		FDEDRO
C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[C@@](O)(CC#N)C2)CC1	ZINC000591992413	551924281	/nfs/dbraw/zinc/92/42/81/551924281.db2.gz	LSFCMOQLPFNVBA-KXBFYZLASA-N	1	0	357.458	1.667	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1	ZINC000592090358	551939265	/nfs/dbraw/zinc/93/92/65/551939265.db2.gz	RDDXOPACXIAKPK-JQHSSLGASA-N	1	0	364.515	1.648	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCC[N@@H+](CCOC)C3)cc2C1=O	ZINC000592105105	551942820	/nfs/dbraw/zinc/94/28/20/551942820.db2.gz	TUQZTJBDMQFOIM-OAHLLOKOSA-N	1	0	371.437	1.309	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@H](C(=O)NCc2ccccc2)C1	ZINC000592156630	551951896	/nfs/dbraw/zinc/95/18/96/551951896.db2.gz	ZVTMBFQYSYKQSF-RDJZCZTQSA-N	1	0	354.454	1.576	20	30		FDEDRO
C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)N3CC[C@](O)(CC#N)C3)ccc21	ZINC000592299448	551974399	/nfs/dbraw/zinc/97/43/99/551974399.db2.gz	JHQYOIZOFXJVJP-VQIMIIECSA-N	1	0	356.426	1.051	20	30		FDEDRO
N#CCCC1CCN(C(=O)C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CC1	ZINC000592427710	551993990	/nfs/dbraw/zinc/99/39/90/551993990.db2.gz	SBVUFCBGXJKLAF-OAHLLOKOSA-N	1	0	355.442	1.378	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)cc1	ZINC000592428510	551994275	/nfs/dbraw/zinc/99/42/75/551994275.db2.gz	VETVWBHPHVLXBE-UHFFFAOYSA-N	1	0	364.405	1.490	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCCc3c2cnn3CCO)cc1	ZINC000592429917	551994307	/nfs/dbraw/zinc/99/43/07/551994307.db2.gz	UPDMYPUGBIPDPM-MAUKXSAKSA-N	1	0	356.426	1.154	20	30		FDEDRO
Cn1cc(C(N)=O)cc1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593355438	552095016	/nfs/dbraw/zinc/09/50/16/552095016.db2.gz	XBQUZCJXDNGJLW-UHFFFAOYSA-N	1	0	365.437	1.390	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@@H]3CCCC(=O)N3)CC2)c1	ZINC000593398235	552102348	/nfs/dbraw/zinc/10/23/48/552102348.db2.gz	CHWWZRATDKVREL-SFHVURJKSA-N	1	0	369.469	1.491	20	30		FDEDRO
CCN1C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1=O	ZINC000593462018	552112306	/nfs/dbraw/zinc/11/23/06/552112306.db2.gz	RJMDRJQIKVEVOR-GOSISDBHSA-N	1	0	371.485	1.500	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)Cc1ccc(Br)cc1C#N	ZINC000593486369	552116222	/nfs/dbraw/zinc/11/62/22/552116222.db2.gz	UOPALHFPNMDIFU-UHFFFAOYSA-N	1	0	368.275	1.948	20	30		FDEDRO
CCN1CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1	ZINC000593508068	552119057	/nfs/dbraw/zinc/11/90/57/552119057.db2.gz	CSBCDXMSLJHWSG-UHFFFAOYSA-N	1	0	355.486	1.870	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC[C@@](F)(CO)C3)CC2)c1	ZINC000593513561	552120088	/nfs/dbraw/zinc/12/00/88/552120088.db2.gz	KPHWHTWUAWHDJJ-IBGZPJMESA-N	1	0	360.433	1.639	20	30		FDEDRO
C[C@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[C@H]1O	ZINC000593515029	552120562	/nfs/dbraw/zinc/12/05/62/552120562.db2.gz	FCQXUNRERKLOOE-HNAYVOBHSA-N	1	0	356.470	1.935	20	30		FDEDRO
C[C@@H](O)[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000593514083	552120647	/nfs/dbraw/zinc/12/06/47/552120647.db2.gz	OPEJDXYDCDFYAX-CRAIPNDOSA-N	1	0	356.470	1.935	20	30		FDEDRO
C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[C@H]1O	ZINC000593515028	552120706	/nfs/dbraw/zinc/12/07/06/552120706.db2.gz	FCQXUNRERKLOOE-DNVCBOLYSA-N	1	0	356.470	1.935	20	30		FDEDRO
C[C@H]1C(=O)N(C)CN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593517498	552121472	/nfs/dbraw/zinc/12/14/72/552121472.db2.gz	RSNFIPGAXBYIAM-AWEZNQCLSA-N	1	0	355.442	1.352	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C	ZINC000593552708	552131524	/nfs/dbraw/zinc/13/15/24/552131524.db2.gz	HSNYYGVDURKBGE-KGLIPLIRSA-N	1	0	363.439	1.202	20	30		FDEDRO
COCCC[N@H+](C)CCNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1	ZINC000593554018	552131925	/nfs/dbraw/zinc/13/19/25/552131925.db2.gz	WLNQJDUCUCYFIZ-UHFFFAOYSA-N	1	0	353.488	1.734	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1	ZINC000593553988	552131961	/nfs/dbraw/zinc/13/19/61/552131961.db2.gz	VVDMMMGWGVHGNJ-DGCLKSJQSA-N	1	0	351.428	1.106	20	30		FDEDRO
CCN1C[C@H](C)N(S(=O)(=O)c2ccc(C#N)cc2C(=O)OC)C[C@H]1C	ZINC000593568970	552137637	/nfs/dbraw/zinc/13/76/37/552137637.db2.gz	LOQUDHWPWYHXPW-OLZOCXBDSA-N	1	0	365.455	1.448	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2ccsc2C#N)C[C@@H]1[NH+]1CCCC1	ZINC000593583038	552143110	/nfs/dbraw/zinc/14/31/10/552143110.db2.gz	GFBRHMMLUTVPFU-AAEUAGOBSA-N	1	0	357.526	1.820	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N3CCC(CC[NH3+])CC3)CC2)nc1	ZINC000593704322	552178245	/nfs/dbraw/zinc/17/82/45/552178245.db2.gz	DXYIMTCAMZOEQD-UHFFFAOYSA-N	1	0	356.474	1.692	20	30		FDEDRO
C[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)[C@H]1CC[NH3+]	ZINC000593731389	552185633	/nfs/dbraw/zinc/18/56/33/552185633.db2.gz	VGBNTOQPXSUQMF-AAEUAGOBSA-N	1	0	352.416	1.604	20	30		FDEDRO
N#Cc1cccc2c1CN(C(=O)C(=O)Nc1ccc3c(c1)C[NH2+]CCO3)C2	ZINC000593777664	552195839	/nfs/dbraw/zinc/19/58/39/552195839.db2.gz	NVPLTTIOZXUGHD-UHFFFAOYSA-N	1	0	362.389	1.521	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cnn4ncccc34)CC2)c1	ZINC000593886936	552217580	/nfs/dbraw/zinc/21/75/80/552217580.db2.gz	ULODWWNQOFUFCM-UHFFFAOYSA-N	1	0	360.421	1.995	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CCc4nncn4C3)CC2)c1	ZINC000593886961	552217901	/nfs/dbraw/zinc/21/79/01/552217901.db2.gz	VVKZLIUFPSQBQQ-QGZVFWFLSA-N	1	0	364.453	1.493	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000593913216	552224235	/nfs/dbraw/zinc/22/42/35/552224235.db2.gz	SVIDKTKRNCJPET-BQFCYCMXSA-N	1	0	373.453	1.691	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1C	ZINC000594027408	552240507	/nfs/dbraw/zinc/24/05/07/552240507.db2.gz	OJBUECGCGHOYFB-ZWKOTPCHSA-N	1	0	356.470	1.301	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC000594285905	552278333	/nfs/dbraw/zinc/27/83/33/552278333.db2.gz	NQJLZUPYBQRNCH-QAPCUYQASA-N	1	0	356.470	1.440	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)ncc1C#N	ZINC000594288051	552278850	/nfs/dbraw/zinc/27/88/50/552278850.db2.gz	GCBDXBRSCYVWJE-VNHYZAJKSA-N	1	0	357.458	1.683	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12	ZINC000594326218	552288654	/nfs/dbraw/zinc/28/86/54/552288654.db2.gz	OCTLPAJXNNWKTK-ZBFHGGJFSA-N	1	0	356.426	1.638	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1	ZINC000594432025	552308603	/nfs/dbraw/zinc/30/86/03/552308603.db2.gz	VHASYVOQBFPJTA-IAGOWNOFSA-N	1	0	358.442	1.832	20	30		FDEDRO
CCS(=O)(=O)Nc1ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc1OC	ZINC000594428530	552308750	/nfs/dbraw/zinc/30/87/50/552308750.db2.gz	MPWPFQFPDHIDCD-ZDUSSCGKSA-N	1	0	368.459	1.807	20	30		FDEDRO
C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccccc1NS(C)(=O)=O	ZINC000594429314	552308774	/nfs/dbraw/zinc/30/87/74/552308774.db2.gz	SRFBOPFOYBJTQC-GXTWGEPZSA-N	1	0	352.460	1.647	20	30		FDEDRO
CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)[C@H]([NH3+])CCCCC#N)c1	ZINC000594440752	552311011	/nfs/dbraw/zinc/31/10/11/552311011.db2.gz	ZFHPVQQPPODNBW-IUODEOHRSA-N	1	0	352.460	1.183	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N1CCC(CNC(=O)c2ccccn2)CC1	ZINC000594443234	552311831	/nfs/dbraw/zinc/31/18/31/552311831.db2.gz	NSWNNDSBAQODBF-INIZCTEOSA-N	1	0	357.458	1.461	20	30		FDEDRO
CC(=O)NCc1ccc(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)cc1	ZINC000594719148	552363086	/nfs/dbraw/zinc/36/30/86/552363086.db2.gz	ZXQJUEBSBLQLNU-FQEVSTJZSA-N	1	0	367.449	1.918	20	30		FDEDRO
C=CCNC(=O)Cn1c2c(cc(C#N)c1=O)C[N@@H+](Cc1ccccc1)CC2	ZINC000594909941	552423563	/nfs/dbraw/zinc/42/35/63/552423563.db2.gz	GHZAZESHRPWYDR-UHFFFAOYSA-N	1	0	362.433	1.580	20	30		FDEDRO
N#Cc1csc(C[NH2+]C[C@@]2(CO)COCCN2Cc2ccccc2)c1	ZINC000594990637	552433175	/nfs/dbraw/zinc/43/31/75/552433175.db2.gz	VIKWTEZJLJEEIE-LJQANCHMSA-N	1	0	357.479	1.973	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1C#N	ZINC000595112487	552454547	/nfs/dbraw/zinc/45/45/47/552454547.db2.gz	BQDAOJBSILGBHW-JLJPHGGASA-N	1	0	364.471	1.169	20	30		FDEDRO
COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)c2cccnc2C#N)cc1	ZINC000595119902	552457101	/nfs/dbraw/zinc/45/71/01/552457101.db2.gz	MVNHFVBJVLSXDE-RDJZCZTQSA-N	1	0	372.450	1.386	20	30		FDEDRO
CN(C(=O)C(=O)N1CC[C@](C)(C#N)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000595151280	552468764	/nfs/dbraw/zinc/46/87/64/552468764.db2.gz	SREPZODVXJQYIE-GHTZIAJQSA-N	1	0	368.481	1.872	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)N(C)CC(C)(C)[NH3+])c(C#N)cn1CCOC	ZINC000595232957	552500011	/nfs/dbraw/zinc/50/00/11/552500011.db2.gz	GAMCEGFQOXZFPQ-UHFFFAOYSA-N	1	0	365.434	1.384	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NCC2([NH3+])CCCC2)ccc1OC(F)(F)F	ZINC000595238045	552501862	/nfs/dbraw/zinc/50/18/62/552501862.db2.gz	LKZKBYIMFBTXLS-UHFFFAOYSA-N	1	0	370.331	1.783	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)cc1	ZINC000595238962	552502425	/nfs/dbraw/zinc/50/24/25/552502425.db2.gz	JLVRWBITFSYPRD-GOSISDBHSA-N	1	0	364.405	1.474	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)cc1Br	ZINC000595249310	552505289	/nfs/dbraw/zinc/50/52/89/552505289.db2.gz	MQZLHWNSDFBOGD-UHFFFAOYSA-N	1	0	363.215	1.127	20	30		FDEDRO
C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@H](C)c2cccc(C#N)c2)CC1	ZINC000595263349	552507641	/nfs/dbraw/zinc/50/76/41/552507641.db2.gz	VEDYNDKGSQPZAS-OAHLLOKOSA-N	1	0	371.485	1.909	20	30		FDEDRO
N#Cc1sccc1N1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1	ZINC000595274433	552509961	/nfs/dbraw/zinc/50/99/61/552509961.db2.gz	QZYHRLYQKVGDBJ-SOUVJXGZSA-N	1	0	359.499	1.839	20	30		FDEDRO
N#Cc1sccc1N1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1	ZINC000595274430	552510026	/nfs/dbraw/zinc/51/00/26/552510026.db2.gz	QZYHRLYQKVGDBJ-QLFBSQMISA-N	1	0	359.499	1.839	20	30		FDEDRO
N#Cc1ccc(F)c(CS(=O)(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1	ZINC000595383286	552543757	/nfs/dbraw/zinc/54/37/57/552543757.db2.gz	BTCUBUCQHPJUBK-INIZCTEOSA-N	1	0	367.446	1.058	20	30		FDEDRO
COC(=O)CC1([NH2+]CCc2ccc(C#N)cc2)CCS(=O)(=O)CC1	ZINC000595461191	552565582	/nfs/dbraw/zinc/56/55/82/552565582.db2.gz	VGSKLOWCBCHMIK-UHFFFAOYSA-N	1	0	350.440	1.201	20	30		FDEDRO
N#Cc1ccc(CCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1	ZINC000595686146	552602787	/nfs/dbraw/zinc/60/27/87/552602787.db2.gz	QSBGSISLYDOBDA-UHFFFAOYSA-N	1	0	369.469	1.050	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2CCO)CC1	ZINC000595698504	552604080	/nfs/dbraw/zinc/60/40/80/552604080.db2.gz	MPOHDZPTWMAGPV-SQNIBIBYSA-N	1	0	350.507	1.162	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)C2=O)cc1	ZINC000595864902	552625427	/nfs/dbraw/zinc/62/54/27/552625427.db2.gz	WWLKRPIQYZBZHU-WOJBJXKFSA-N	1	0	368.481	1.585	20	30		FDEDRO
N#Cc1cccc(-c2nnc(CN3CCC([N@@H+]4CC[C@H](O)C4)CC3)o2)c1	ZINC000595864851	552625513	/nfs/dbraw/zinc/62/55/13/552625513.db2.gz	DTNNBOXJNSLDTI-KRWDZBQOSA-N	1	0	353.426	1.639	20	30		FDEDRO
CN(C(=O)CN1CCO[C@@H](CCC[NH+](C)C)C1)C1(C#N)CCCCC1	ZINC000595904773	552631446	/nfs/dbraw/zinc/63/14/46/552631446.db2.gz	KRHPDNUGVZGAAA-KRWDZBQOSA-N	1	0	350.507	1.714	20	30		FDEDRO
N#CC1(CC(=O)N2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)CCCCC1	ZINC000595937096	552635483	/nfs/dbraw/zinc/63/54/83/552635483.db2.gz	QHXIURIYZDJFQK-DLBZAZTESA-N	1	0	373.501	1.597	20	30		FDEDRO
N#Cc1cccc(C2(NC(=O)c3cn(CCCC[NH3+])nn3)CCOCC2)c1	ZINC000595968503	552640059	/nfs/dbraw/zinc/64/00/59/552640059.db2.gz	SRSZIEHFOAIAPM-UHFFFAOYSA-N	1	0	368.441	1.324	20	30		FDEDRO
C[NH2+]CCCC(=O)N1CCC(NC(=O)COc2ccc(C#N)cc2)CC1	ZINC000595983705	552641113	/nfs/dbraw/zinc/64/11/13/552641113.db2.gz	YYNKKRUZXKPDKW-UHFFFAOYSA-N	1	0	358.442	1.044	20	30		FDEDRO
C[C@@]1(C#N)CCN(C(=O)C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)C1	ZINC000595984946	552641218	/nfs/dbraw/zinc/64/12/18/552641218.db2.gz	YLLWENKQBOEASJ-GJYPPUQNSA-N	1	0	358.417	1.231	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)cc1	ZINC000595985390	552641346	/nfs/dbraw/zinc/64/13/46/552641346.db2.gz	IZXGGXWXNREFED-KRWDZBQOSA-N	1	0	364.453	1.711	20	30		FDEDRO
CCc1nc(C#N)cc(N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)n1	ZINC000596137811	552659109	/nfs/dbraw/zinc/65/91/09/552659109.db2.gz	XQDHLCKGFWIQJD-INIZCTEOSA-N	1	0	350.470	2.533	20	30		FDEDRO
C=CC[N@@H+](CCC(=O)N1CCOCC1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000596211035	552665194	/nfs/dbraw/zinc/66/51/94/552665194.db2.gz	LYTBEOMYDZIMLZ-INIZCTEOSA-N	1	0	370.457	1.460	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1	ZINC000596494823	552683854	/nfs/dbraw/zinc/68/38/54/552683854.db2.gz	WMTKPAHKRLBXFS-GOSISDBHSA-N	1	0	351.454	1.443	20	30		FDEDRO
C[NH+]1CCN(c2ccc(-c3noc(CC4(C#N)CCOCC4)n3)nc2)CC1	ZINC000596606051	552693810	/nfs/dbraw/zinc/69/38/10/552693810.db2.gz	TVKQHTJRLIYDLP-UHFFFAOYSA-N	1	0	368.441	1.746	20	30		FDEDRO
C[C@H]1CN(C(=O)NCCc2ccc(C#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000596672135	552699742	/nfs/dbraw/zinc/69/97/42/552699742.db2.gz	LUOHGRISIWMRFE-FXAWDEMLSA-N	1	0	369.513	1.768	20	30		FDEDRO
N#CCCCOc1cccnc1NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC000596846870	552717199	/nfs/dbraw/zinc/71/71/99/552717199.db2.gz	UHLRFEFIRVWDAC-INIZCTEOSA-N	1	0	373.457	1.827	20	30		FDEDRO
Cc1cc(NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c(C#N)cc1N(C)C	ZINC000596909396	552723783	/nfs/dbraw/zinc/72/37/83/552723783.db2.gz	OQHIPRSLLHMEBD-UHFFFAOYSA-N	1	0	374.489	1.416	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCC1CC[NH+](CC2CC2)CC1	ZINC000596963671	552729637	/nfs/dbraw/zinc/72/96/37/552729637.db2.gz	GVRBWOBFXXAVJK-UHFFFAOYSA-N	1	0	373.505	1.560	20	30		FDEDRO
C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NCC1(C#N)CCCCC1	ZINC000597212099	552761243	/nfs/dbraw/zinc/76/12/43/552761243.db2.gz	PWSLHYIBARBHPL-SFHVURJKSA-N	1	0	370.497	1.866	20	30		FDEDRO
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1cc(F)c(C#N)c(F)c1	ZINC000597226826	552763190	/nfs/dbraw/zinc/76/31/90/552763190.db2.gz	NPTBDYPHEZQHLL-UHFFFAOYSA-N	1	0	350.413	1.934	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1	ZINC000597347689	552778104	/nfs/dbraw/zinc/77/81/04/552778104.db2.gz	ROWWMBMMOPVZOE-GOSISDBHSA-N	1	0	368.481	1.892	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CC34CC[NH2+]CC4)C2=O)cc1	ZINC000597438888	552789510	/nfs/dbraw/zinc/78/95/10/552789510.db2.gz	FVXRZIZWQZZGMV-DLBZAZTESA-N	1	0	367.453	1.495	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(F)c(C#N)c(F)c2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000597468796	552792939	/nfs/dbraw/zinc/79/29/39/552792939.db2.gz	USPXPPZXAZEUGE-ACJLOTCBSA-N	1	0	362.424	1.934	20	30		FDEDRO
C[NH+]1CC2(C1)CCN(C(=O)COc1ccc(C#N)c(Br)c1)C2	ZINC000597568723	552805820	/nfs/dbraw/zinc/80/58/20/552805820.db2.gz	QHLDNJVXOIIIPK-UHFFFAOYSA-N	1	0	364.243	1.864	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@]1(NC(=O)[C@@H](C)C#N)CC[N@H+](Cc2ccccc2)C1	ZINC000597621822	552813239	/nfs/dbraw/zinc/81/32/39/552813239.db2.gz	NBQAMLTZUVZGPN-GQIGUUNPSA-N	1	0	367.453	1.183	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](C(=O)NC[C@H]3C[N@@H+]4CCN3CCC4)C2)c(F)c1	ZINC000597624970	552813874	/nfs/dbraw/zinc/81/38/74/552813874.db2.gz	MXOKSAAYFAHMRE-IRXDYDNUSA-N	1	0	371.460	1.030	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CCCc4nn[nH]c43)CC2)c1	ZINC000597818440	552836029	/nfs/dbraw/zinc/83/60/29/552836029.db2.gz	BAMLBIQTWHVLNP-KRWDZBQOSA-N	1	0	364.453	1.877	20	30		FDEDRO
Cc1cc(S(=O)(=O)NCC[NH2+]C[C@H](O)CC(C)(C)C#N)c(C)s1	ZINC000598725339	552928260	/nfs/dbraw/zinc/92/82/60/552928260.db2.gz	NYZDYLNBTQCYOD-CYBMUJFWSA-N	1	0	359.517	1.534	20	30		FDEDRO
COc1cc(OC)cc(N2CC[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C2=O)c1	ZINC000598722279	552928316	/nfs/dbraw/zinc/92/83/16/552928316.db2.gz	ZUYPJMYQOPGYFC-RHSMWYFYSA-N	1	0	361.442	1.699	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2	ZINC000598725789	552928590	/nfs/dbraw/zinc/92/85/90/552928590.db2.gz	PHXDXNFSBYUFAI-GBESFXJTSA-N	1	0	370.497	1.476	20	30		FDEDRO
C[N@@H+]1CCCC[C@H](CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000598982614	552953762	/nfs/dbraw/zinc/95/37/62/552953762.db2.gz	LTZYUQJKGCKEKR-QGZVFWFLSA-N	1	0	370.501	1.953	20	30		FDEDRO
N#Cc1ccc(CN2CCCN(C(=O)c3ccnc4ccnn43)CC2)cc1	ZINC000598986714	552954223	/nfs/dbraw/zinc/95/42/23/552954223.db2.gz	LRZMQABMAUHSOY-UHFFFAOYSA-N	1	0	360.421	1.949	20	30		FDEDRO
COC(=O)COCCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000599093235	552966757	/nfs/dbraw/zinc/96/67/57/552966757.db2.gz	RRNPSYOUFFNLNP-UHFFFAOYSA-N	1	0	374.441	1.011	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CCCN(c3nccs3)CC2)CCOCC1	ZINC000599273157	553011284	/nfs/dbraw/zinc/01/12/84/553011284.db2.gz	OSBIJZFPNXCHBQ-HNNXBMFYSA-N	1	0	350.488	1.727	20	30		FDEDRO
CCO[C@@H]1C[C@H](O)C12CC[NH+](C[C@@H](O)CC1(C#N)CCOCC1)CC2	ZINC000599300417	553020456	/nfs/dbraw/zinc/02/04/56/553020456.db2.gz	YAIQNIVLEUNIOL-YESZJQIVSA-N	1	0	352.475	1.310	20	30		FDEDRO
CS[C@@H]1CN(C[C@H](O)COc2ccccc2C#N)C[C@@H]1[NH+]1CCCC1	ZINC000599371895	553038591	/nfs/dbraw/zinc/03/85/91/553038591.db2.gz	RNIQAQFADGVVEP-JENIJYKNSA-N	1	0	361.511	1.810	20	30		FDEDRO
Cn1cc([C@@H]2CSCCN2C[C@@H](O)CC2(C#N)CCOCC2)cn1	ZINC000599391185	553043786	/nfs/dbraw/zinc/04/37/86/553043786.db2.gz	OCBLOMBZFMCOIE-HOTGVXAUSA-N	1	0	350.488	1.581	20	30		FDEDRO
CC[N@@H+](CC(=O)N1CCCCCC1)C[C@H](O)CC1(C#N)CCOCC1	ZINC000599417706	553052194	/nfs/dbraw/zinc/05/21/94/553052194.db2.gz	OZFUUOZHKPNMHI-QGZVFWFLSA-N	1	0	351.491	1.782	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)CCOCC1	ZINC000599436535	553056190	/nfs/dbraw/zinc/05/61/90/553056190.db2.gz	KVSRLLZCFGCIDO-OKZBNKHCSA-N	1	0	357.454	1.259	20	30		FDEDRO
CN(CCOCC[NH3+])C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1	ZINC000599605197	553101462	/nfs/dbraw/zinc/10/14/62/553101462.db2.gz	VJVAUJQAAWTURI-UHFFFAOYSA-N	1	0	362.821	1.836	20	30		FDEDRO
CCCNC(=O)CN(C)C(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1	ZINC000599632198	553108605	/nfs/dbraw/zinc/10/86/05/553108605.db2.gz	UFKXEDHMDOHKPR-UHFFFAOYSA-N	1	0	372.469	1.138	20	30		FDEDRO
COC(=O)[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)[C@@H]2CCC[C@H]21	ZINC000599660603	553115670	/nfs/dbraw/zinc/11/56/70/553115670.db2.gz	RETREPLTOMCDGL-RCCFBDPRSA-N	1	0	355.438	1.838	20	30		FDEDRO
Cn1nnnc1-c1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1	ZINC000599864088	553162414	/nfs/dbraw/zinc/16/24/14/553162414.db2.gz	NGNBWTCOASGEGD-UHFFFAOYSA-N	1	0	356.434	1.576	20	30		FDEDRO
CN(CCOCC[NH3+])C(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	ZINC000599899649	553171100	/nfs/dbraw/zinc/17/11/00/553171100.db2.gz	FOKXFCVBPPMXMT-UHFFFAOYSA-N	1	0	373.438	1.054	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1	ZINC000599900998	553171311	/nfs/dbraw/zinc/17/13/11/553171311.db2.gz	WOSBNUUHKVVZGH-QWHCGFSZSA-N	1	0	368.359	1.791	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)ccc1F	ZINC000599903462	553171604	/nfs/dbraw/zinc/17/16/04/553171604.db2.gz	FBFROPOWTUXIAV-MRXNPFEDSA-N	1	0	374.416	1.253	20	30		FDEDRO
CN(CCOCC[NH3+])C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000599921486	553174256	/nfs/dbraw/zinc/17/42/56/553174256.db2.gz	SQEBSONZWDONIX-UHFFFAOYSA-N	1	0	361.446	1.260	20	30		FDEDRO
C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[NH2+]1	ZINC000599919429	553174511	/nfs/dbraw/zinc/17/45/11/553174511.db2.gz	WGIIIFDODWSRLN-XOKHGSTOSA-N	1	0	355.442	1.099	20	30		FDEDRO
Cc1cc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)nn1-c1cccc(C#N)c1	ZINC000599938009	553178502	/nfs/dbraw/zinc/17/85/02/553178502.db2.gz	KEBPDDHDTYTKFX-QZTJIDSGSA-N	1	0	365.437	1.334	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)c(F)cc1C#N	ZINC000599968772	553188839	/nfs/dbraw/zinc/18/88/39/553188839.db2.gz	OQRVUSRHTYAJGJ-NSHDSACASA-N	1	0	362.405	1.491	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c(F)cc1C#N	ZINC000599974815	553190464	/nfs/dbraw/zinc/19/04/64/553190464.db2.gz	KXIJGQSCFPJLKQ-GOSISDBHSA-N	1	0	360.389	1.199	20	30		FDEDRO
CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)CC1	ZINC000600048897	553208417	/nfs/dbraw/zinc/20/84/17/553208417.db2.gz	TUTJFPFBUVAPLA-UHFFFAOYSA-N	1	0	370.453	1.404	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N(C)[C@H]3C[NH+]4CCC3CC4)cc2C1=O	ZINC000600518203	553280317	/nfs/dbraw/zinc/28/03/17/553280317.db2.gz	AVQVZTLVWQMEER-KRWDZBQOSA-N	1	0	353.422	1.635	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]CC1(N2CCOCC2)CCCCC1	ZINC000600713638	553306079	/nfs/dbraw/zinc/30/60/79/553306079.db2.gz	DEPGADHXRFYGRL-LJQANCHMSA-N	1	0	373.497	1.923	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCOc1ccc2c(c1)OCO2	ZINC000600717916	553306563	/nfs/dbraw/zinc/30/65/63/553306563.db2.gz	UDUFFJCKUKWIAV-HNNXBMFYSA-N	1	0	356.378	1.695	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]C[C@H](c2ccccc2)N2CCOCC2)CCOCC1	ZINC000600720229	553306580	/nfs/dbraw/zinc/30/65/80/553306580.db2.gz	XUWOEJHTJTUSCJ-WOJBJXKFSA-N	1	0	373.497	1.721	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]CCc2csc(N3CCCC3)n2)CCOCC1	ZINC000600728112	553308141	/nfs/dbraw/zinc/30/81/41/553308141.db2.gz	RVGJUYXWSSAMJA-MRXNPFEDSA-N	1	0	364.515	1.947	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1	ZINC000600730676	553308443	/nfs/dbraw/zinc/30/84/43/553308443.db2.gz	MWIMCFRBZJMSDI-QZTJIDSGSA-N	1	0	357.454	1.679	20	30		FDEDRO
CCS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)s1	ZINC000600734178	553308837	/nfs/dbraw/zinc/30/88/37/553308837.db2.gz	FSDGWOGDZYEKPZ-ZDUSSCGKSA-N	1	0	372.512	1.703	20	30		FDEDRO
Cc1ccc(CN2CC[C@@H]([NH2+]C[C@H](O)CC3(C#N)CCOCC3)C2=O)cc1	ZINC000600733666	553308959	/nfs/dbraw/zinc/30/89/59/553308959.db2.gz	LKABZYSQHYCUSH-RTBURBONSA-N	1	0	371.481	1.757	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](CO)Cc1ccc(F)cc1	ZINC000600738307	553309357	/nfs/dbraw/zinc/30/93/57/553309357.db2.gz	JQCHBNHIGOMCIP-LPHOPBHVSA-N	1	0	358.413	1.878	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)CCOCC1	ZINC000600739779	553309533	/nfs/dbraw/zinc/30/95/33/553309533.db2.gz	FKHYYHGRVXGZOG-SJORKVTESA-N	1	0	364.490	1.328	20	30		FDEDRO
CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)CC2(C#N)CC2)s1	ZINC000600742435	553309832	/nfs/dbraw/zinc/30/98/32/553309832.db2.gz	WCXWDPRPJZTIPK-UTUOFQBUSA-N	1	0	351.476	1.708	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3ccccc3CC#N)C2)CC1	ZINC000601340207	553379640	/nfs/dbraw/zinc/37/96/40/553379640.db2.gz	MUJRPJQIYLVSQZ-KRWDZBQOSA-N	1	0	362.499	1.153	20	30		FDEDRO
N#CCc1ccccc1S(=O)(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1	ZINC000601341917	553380004	/nfs/dbraw/zinc/38/00/04/553380004.db2.gz	LVKGUEIZANBMHU-BBWFWOEESA-N	1	0	363.483	1.660	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccccc1CC#N	ZINC000601377005	553388822	/nfs/dbraw/zinc/38/88/22/553388822.db2.gz	YLJOTDWSRRAPLJ-ZACQAIPSSA-N	1	0	363.483	1.625	20	30		FDEDRO
N#Cc1sccc1N1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1	ZINC000601466104	553413662	/nfs/dbraw/zinc/41/36/62/553413662.db2.gz	ZELQRPMCPHFNQH-UHFFFAOYSA-N	1	0	368.528	1.557	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[C@H](C)N1CC#N	ZINC000601489695	553419430	/nfs/dbraw/zinc/41/94/30/553419430.db2.gz	IVJMWGNAMLHJRP-GASCZTMLSA-N	1	0	350.488	1.355	20	30		FDEDRO
N#CCCN1CCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000601600618	553443531	/nfs/dbraw/zinc/44/35/31/553443531.db2.gz	GCVZSLNYWZGDNF-LJQANCHMSA-N	1	0	355.486	1.749	20	30		FDEDRO
CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cc(F)cc(C#N)c1	ZINC000602029080	553503923	/nfs/dbraw/zinc/50/39/23/553503923.db2.gz	BGPLSAYPNOXDPB-OAHLLOKOSA-N	1	0	350.394	1.109	20	30		FDEDRO
C[NH+]1CCC(n2cc(NC(=O)C(=O)N(CCC#N)CC3CC3)cn2)CC1	ZINC000602033033	553505007	/nfs/dbraw/zinc/50/50/07/553505007.db2.gz	DNMKRDCJYMGEIP-UHFFFAOYSA-N	1	0	358.446	1.241	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1	ZINC000602051222	553508339	/nfs/dbraw/zinc/50/83/39/553508339.db2.gz	CTKQWPCOINNVJU-CQSZACIVSA-N	1	0	369.425	1.797	20	30		FDEDRO
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCCN(c2ccccc2C#N)CC1	ZINC000602063172	553511340	/nfs/dbraw/zinc/51/13/40/553511340.db2.gz	CVBDKFYEGGEMDU-UHFFFAOYSA-N	1	0	370.497	1.955	20	30		FDEDRO
COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(C)[C@H]1CCC[C@@H]1C#N	ZINC000602073433	553513691	/nfs/dbraw/zinc/51/36/91/553513691.db2.gz	GDWJYKVVVJXZPA-ZBFHGGJFSA-N	1	0	358.442	1.846	20	30		FDEDRO
N#CCCN1CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1	ZINC000602281165	553555691	/nfs/dbraw/zinc/55/56/91/553555691.db2.gz	CTVXXXLOEDQMHN-UHFFFAOYSA-N	1	0	356.474	1.539	20	30		FDEDRO
N#Cc1cccc(C[NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)n1	ZINC000602523186	553597813	/nfs/dbraw/zinc/59/78/13/553597813.db2.gz	ZGEWRJNHNNLXEE-UHFFFAOYSA-N	1	0	350.422	1.943	20	30		FDEDRO
C[C@H](CCC#N)C[NH2+]Cc1ccccc1S(=O)(=O)N1CCN(C)CC1	ZINC000602544441	553603344	/nfs/dbraw/zinc/60/33/44/553603344.db2.gz	BBYRZUFHFJZSEX-MRXNPFEDSA-N	1	0	364.515	1.652	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1	ZINC000602574746	553606909	/nfs/dbraw/zinc/60/69/09/553606909.db2.gz	MQJATYWJJOFCHL-CRAIPNDOSA-N	1	0	357.454	1.943	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@@](O)(C[NH+](C)C)C2)c1	ZINC000602891387	553662272	/nfs/dbraw/zinc/66/22/72/553662272.db2.gz	LVVYYLHJZCHPRE-OAQYLSRUSA-N	1	0	372.513	1.939	20	30		FDEDRO
C[C@@]1(CO)C[C@H](O)C[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000602906830	553665708	/nfs/dbraw/zinc/66/57/08/553665708.db2.gz	LFAFANXTFPHXHP-SGTLLEGYSA-N	1	0	363.483	1.645	20	30		FDEDRO
CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCC(c3ccc(C#N)cn3)CC2)C1	ZINC000602910475	553667178	/nfs/dbraw/zinc/66/71/78/553667178.db2.gz	SKBVXXXONQBZLG-INIZCTEOSA-N	1	0	362.499	1.804	20	30		FDEDRO
Cc1nnc(N2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)n1C	ZINC000602944002	553676086	/nfs/dbraw/zinc/67/60/86/553676086.db2.gz	SCOHSTLMYQPGGM-UHFFFAOYSA-N	1	0	353.430	1.146	20	30		FDEDRO
N#Cc1ccsc1NC(=O)CC[NH+]1CCC(CCO)(CCO)CC1	ZINC000602966449	553682575	/nfs/dbraw/zinc/68/25/75/553682575.db2.gz	GBRIFYPMPBOKAE-UHFFFAOYSA-N	1	0	351.472	1.795	20	30		FDEDRO
Cc1cc(NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)ncc1C#N	ZINC000603110799	553710591	/nfs/dbraw/zinc/71/05/91/553710591.db2.gz	CIUACFMHAZSKHJ-UHFFFAOYSA-N	1	0	356.474	1.942	20	30		FDEDRO
COCC[NH2+]CCc1cn([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)nn1	ZINC000603240175	553740110	/nfs/dbraw/zinc/74/01/10/553740110.db2.gz	YEAGBAQEXBIDTK-SFHVURJKSA-N	1	0	368.441	1.296	20	30		FDEDRO
C[C@H](CNc1ccc(C#N)cc1CS(N)(=O)=O)[N@@H+]1CCC[C@@H](C)C1	ZINC000603284051	553753953	/nfs/dbraw/zinc/75/39/53/553753953.db2.gz	NZSTVQRVGYZTRT-ZIAGYGMSSA-N	1	0	350.488	1.879	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCN(c2cc(C#N)c(Br)cn2)CC1	ZINC000603314563	553763039	/nfs/dbraw/zinc/76/30/39/553763039.db2.gz	LUWTVRAWIVVEDD-UHFFFAOYSA-N	1	0	366.263	1.316	20	30		FDEDRO
Cc1ccccc1C[N@@H+]1CCCN(C(=O)Cn2ccc(C#N)cc2=O)CC1	ZINC000603346570	553768038	/nfs/dbraw/zinc/76/80/38/553768038.db2.gz	ADELLFKAMZQQID-UHFFFAOYSA-N	1	0	364.449	1.763	20	30		FDEDRO
C[N@@H+]1CCCN(CCCNS(=O)(=O)c2ccc(C#N)cc2F)CC1	ZINC000603402507	553780370	/nfs/dbraw/zinc/78/03/70/553780370.db2.gz	KJVDAYQONOPQQF-UHFFFAOYSA-N	1	0	354.451	1.003	20	30		FDEDRO
C[N@@H+]1CCCN(CCCNS(=O)(=O)c2ccc(F)c(C#N)c2)CC1	ZINC000603404720	553780787	/nfs/dbraw/zinc/78/07/87/553780787.db2.gz	YDKBGCLQJONHOT-UHFFFAOYSA-N	1	0	354.451	1.003	20	30		FDEDRO
N#CCc1cccc(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)c1	ZINC000603410625	553782154	/nfs/dbraw/zinc/78/21/54/553782154.db2.gz	XCUTUQXEZIKBLK-IBGZPJMESA-N	1	0	356.470	1.279	20	30		FDEDRO
N#Cc1nnc2ccccc2c1N[C@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000603424511	553785274	/nfs/dbraw/zinc/78/52/74/553785274.db2.gz	ZFTUUFNXSQUVPI-INIZCTEOSA-N	1	0	366.469	1.710	20	30		FDEDRO
N#Cc1ccc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)cc1[N+](=O)[O-]	ZINC000603424482	553785304	/nfs/dbraw/zinc/78/53/04/553785304.db2.gz	YCSKMJQZUXCPNQ-KRWDZBQOSA-N	1	0	359.430	1.675	20	30		FDEDRO
Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2C[C@@H]3C[NH2+]C[C@H]3C2)c1C#N	ZINC000603909589	553829131	/nfs/dbraw/zinc/82/91/31/553829131.db2.gz	DFOPLMPXJSXCJB-HOTGVXAUSA-N	1	0	367.453	1.708	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCc1ccc2c(c1)OCCO2	ZINC000603918143	553830214	/nfs/dbraw/zinc/83/02/14/553830214.db2.gz	KOJGPWTUABWFCB-KRWDZBQOSA-N	1	0	354.406	1.901	20	30		FDEDRO
CCOC1CC[NH+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1	ZINC000604273783	553858795	/nfs/dbraw/zinc/85/87/95/553858795.db2.gz	JKWGJVXFXQPJMW-UHFFFAOYSA-N	1	0	361.446	1.004	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1	ZINC000609286047	554359443	/nfs/dbraw/zinc/35/94/43/554359443.db2.gz	WDKRAJISOPNBHX-VAMGGRTRSA-N	1	0	368.481	1.585	20	30		FDEDRO
COC1CC[NH+](C2(CNS(=O)(=O)N(C)CCC#N)CCCC2)CC1	ZINC000609352866	554371364	/nfs/dbraw/zinc/37/13/64/554371364.db2.gz	QWCXOQKIPJGTHY-UHFFFAOYSA-N	1	0	358.508	1.090	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@@H](c4ccco4)C3)CC2)o1	ZINC000609540387	554390125	/nfs/dbraw/zinc/39/01/25/554390125.db2.gz	UNWPUFPNBMEZRC-OAHLLOKOSA-N	1	0	369.425	1.586	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)nc1	ZINC000609639917	554407028	/nfs/dbraw/zinc/40/70/28/554407028.db2.gz	USSSLEIAZZOGTD-INIZCTEOSA-N	1	0	354.458	1.458	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](N3CCC[N@H+](C[C@@H]4CCCO4)CC3)C2=O)cc1	ZINC000610002545	554448078	/nfs/dbraw/zinc/44/80/78/554448078.db2.gz	QVXFXUCLLKYYKB-PMACEKPBSA-N	1	0	368.481	1.850	20	30		FDEDRO
CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc(C#N)cc2F)CC1	ZINC000610265698	554484825	/nfs/dbraw/zinc/48/48/25/554484825.db2.gz	QBLYTLAQOBIWCB-AWEZNQCLSA-N	1	0	368.478	1.249	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cc1	ZINC000610371656	554496233	/nfs/dbraw/zinc/49/62/33/554496233.db2.gz	WPCBKMMRIVRLDF-WOJBJXKFSA-N	1	0	373.497	1.679	20	30		FDEDRO
N#Cc1cccc(-c2nnc(CN3CC[NH+]([C@H]4CCC[C@H]4O)CC3)o2)c1	ZINC000610368637	554496529	/nfs/dbraw/zinc/49/65/29/554496529.db2.gz	LUHGHQHFWINJOF-DLBZAZTESA-N	1	0	353.426	1.639	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)NC2CCN(CC#N)CC2)C[N@@H+]1Cc1ccccc1	ZINC000610707189	554552646	/nfs/dbraw/zinc/55/26/46/554552646.db2.gz	DFUKLFOCVKTQKP-LPHOPBHVSA-N	1	0	355.486	1.937	20	30		FDEDRO
C[C@H](NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)c1ccc(C#N)cc1	ZINC000610869542	554572587	/nfs/dbraw/zinc/57/25/87/554572587.db2.gz	WPOIMGCDXBOJJK-ZDUSSCGKSA-N	1	0	360.377	1.955	20	30		FDEDRO
N#Cc1ccc(OC2CCC(NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)CC2)nc1	ZINC000611261532	554620185	/nfs/dbraw/zinc/62/01/85/554620185.db2.gz	YPENZMAFYRLKRP-DAWZGUTISA-N	1	0	369.469	1.149	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)ccc1F	ZINC000611402200	554631119	/nfs/dbraw/zinc/63/11/19/554631119.db2.gz	XVVZXUVAUOUBMZ-UHFFFAOYSA-N	1	0	350.313	1.855	20	30		FDEDRO
C[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C[C@@H](O)C1CC1	ZINC000611430298	554632938	/nfs/dbraw/zinc/63/29/38/554632938.db2.gz	WJIFSQGWTHJVHK-RBUKOAKNSA-N	1	0	374.460	1.237	20	30		FDEDRO
C[C@H]1COCCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000611431152	554632972	/nfs/dbraw/zinc/63/29/72/554632972.db2.gz	VQCXVKSENQQDGE-LPHOPBHVSA-N	1	0	374.460	1.645	20	30		FDEDRO
Cn1cc(CN2CC[NH+](C(C)(C)CO)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000611518456	554641166	/nfs/dbraw/zinc/64/11/66/554641166.db2.gz	ZYDFKDPWXBGSBR-UHFFFAOYSA-N	1	0	353.470	1.847	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1	ZINC000611546280	554644742	/nfs/dbraw/zinc/64/47/42/554644742.db2.gz	XCWCFCJEAAMQFY-UHFFFAOYSA-N	1	0	350.313	1.855	20	30		FDEDRO
CC[NH+]1CCN(CCNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1	ZINC000611559259	554646540	/nfs/dbraw/zinc/64/65/40/554646540.db2.gz	HHVMVGSFIZYSCH-GOSISDBHSA-N	1	0	352.479	1.002	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)N2CCC[C@](C)(C#N)C2)CC1	ZINC000612113689	554735743	/nfs/dbraw/zinc/73/57/43/554735743.db2.gz	YQTKINLRARNZJI-LJQANCHMSA-N	1	0	356.474	1.669	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+]Cc3cn(Cc4cccnc4)nn3)CC2)nc1	ZINC000612183537	554747299	/nfs/dbraw/zinc/74/72/99/554747299.db2.gz	QWSOSMRRKFOQNU-UHFFFAOYSA-N	1	0	374.452	1.747	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000613720126	554958906	/nfs/dbraw/zinc/95/89/06/554958906.db2.gz	NYMOWWNONGMTSE-PZJWPPBQSA-N	1	0	373.497	1.553	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CCC[C@H]1[NH+](C)C	ZINC000614712515	555099848	/nfs/dbraw/zinc/09/98/48/555099848.db2.gz	FTXAMJGNQCKFRX-IAGOWNOFSA-N	1	0	354.458	1.749	20	30		FDEDRO
CC1(C)CN(CC(=O)Nc2cc(Cl)ccc2C#N)CC[N@@H+]1CCO	ZINC000614920829	555137369	/nfs/dbraw/zinc/13/73/69/555137369.db2.gz	SDPWICDVJTYBLT-UHFFFAOYSA-N	1	0	350.850	1.539	20	30		FDEDRO
C=C[C@](C)(O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2	ZINC000615354294	555195229	/nfs/dbraw/zinc/19/52/29/555195229.db2.gz	NHEZGYHVHHRHLS-QUCCMNQESA-N	1	0	358.482	1.968	20	30		FDEDRO
N#Cc1cc(O)cc(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1	ZINC000616176337	555278580	/nfs/dbraw/zinc/27/85/80/555278580.db2.gz	DJAXJTJYEAPABN-GOSISDBHSA-N	1	0	351.406	1.760	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(CC)[C@H]2CC[N@H+](CC)C2)c1	ZINC000617933020	555542994	/nfs/dbraw/zinc/54/29/94/555542994.db2.gz	DDKVPJRSESGZHM-INIZCTEOSA-N	1	0	365.499	1.707	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@]2(CO)CCOc3ccccc32)cc1	ZINC000619653860	555817917	/nfs/dbraw/zinc/81/79/17/555817917.db2.gz	KVZQQCPLLBEVHU-UTKZUKDTSA-N	1	0	368.433	1.752	20	30		FDEDRO
C=CCOc1c(Cl)cc(C[NH2+]CCS(=O)(=O)N(C)C)cc1OC	ZINC000623528832	556437926	/nfs/dbraw/zinc/43/79/26/556437926.db2.gz	GYCHJNSGPOLQBM-UHFFFAOYSA-N	1	0	362.879	1.894	20	30		FDEDRO
CCO[C@@H]1C[C@@](CO)([NH2+]CC#CCN2C(=O)c3ccccc3C2=O)C1(C)C	ZINC000625362071	556783694	/nfs/dbraw/zinc/78/36/94/556783694.db2.gz	WCRLCZCCNHQAFV-UTKZUKDTSA-N	1	0	370.449	1.442	20	30		FDEDRO
C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)C1	ZINC000625702713	556906441	/nfs/dbraw/zinc/90/64/41/556906441.db2.gz	GUMDVITVKCRMRU-CQSZACIVSA-N	1	0	351.472	1.740	20	30		FDEDRO
C=CC[C@H]1CC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1	ZINC000625705425	556907443	/nfs/dbraw/zinc/90/74/43/556907443.db2.gz	VHMYJZFLAZWMBY-INIZCTEOSA-N	1	0	365.499	1.281	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCN(C3CCC3)C2=O)c(OC)c1	ZINC000629617218	557818222	/nfs/dbraw/zinc/81/82/22/557818222.db2.gz	HNPSDHZXMJQNOO-QZTJIDSGSA-N	1	0	374.481	1.906	20	30		FDEDRO
C=C(C)C[C@H]1NC(=O)N(CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1=O	ZINC000630977999	557965579	/nfs/dbraw/zinc/96/55/79/557965579.db2.gz	HDACRQVCXMZXNL-OAHLLOKOSA-N	1	0	364.490	1.500	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1	ZINC000631994081	558081284	/nfs/dbraw/zinc/08/12/84/558081284.db2.gz	FGKRPTHKDZHDGD-WBVHZDCISA-N	1	0	363.483	1.365	20	30		FDEDRO
O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000633033995	558245859	/nfs/dbraw/zinc/24/58/59/558245859.db2.gz	SVRWFROIFITCFF-KDURUIRLSA-N	1	0	360.417	1.383	20	30		FDEDRO
C[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)N(C)CCC#N	ZINC000271825470	674385725	/nfs/dbraw/zinc/38/57/25/674385725.db2.gz	OLQYOWURYXZCED-UONOGXRCSA-N	1	0	366.487	1.348	20	30		FDEDRO
CC[NH+](CC)CCOCCNC(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000481378598	567863000	/nfs/dbraw/zinc/86/30/00/567863000.db2.gz	UOBUVWLZXPNYCU-UHFFFAOYSA-N	1	0	371.445	1.619	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000636832176	568122620	/nfs/dbraw/zinc/12/26/20/568122620.db2.gz	IYQYBVZPYFFBOP-HZPDHXFCSA-N	1	0	351.491	1.199	20	30		FDEDRO
CC(C)[C@@H]1C(=O)NCCN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000330329763	568242705	/nfs/dbraw/zinc/24/27/05/568242705.db2.gz	WQQINPXPMPOXKF-OWCLPIDISA-N	1	0	352.479	1.575	20	30		FDEDRO
N#Cc1cc(F)c(N2CC[C@H](N3CC[NH2+]CC3)C2)cc1Br	ZINC000313795807	568326425	/nfs/dbraw/zinc/32/64/25/568326425.db2.gz	FBAJQRJUAVHYPX-LBPRGKRZSA-N	1	0	353.239	1.944	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N(C)Cc2cccc(-c3nn[nH]n3)c2)CC1	ZINC000735425484	598391979	/nfs/dbraw/zinc/39/19/79/598391979.db2.gz	BGJOYCVBFQDMPY-UHFFFAOYSA-N	1	0	355.446	1.659	20	30		FDEDRO
C=CC[C@H](CO)[NH2+]Cc1ccc(O[C@H](C)C(=O)N(C)C)c(OCC)c1	ZINC000273355878	674530632	/nfs/dbraw/zinc/53/06/32/674530632.db2.gz	BVDMUIXNKYEKLP-GDBMZVCRSA-N	1	0	350.459	1.967	20	30		FDEDRO
C=C[C@@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000819729793	606798573	/nfs/dbraw/zinc/79/85/73/606798573.db2.gz	MUBZOEWHTVKCRR-CQSZACIVSA-N	1	0	355.446	1.659	20	30		FDEDRO
C=CCCS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1	ZINC000819740123	607003252	/nfs/dbraw/zinc/00/32/52/607003252.db2.gz	QCUZIRACUWTREU-UHFFFAOYSA-N	1	0	364.475	1.136	20	30		FDEDRO
N#CCCCNC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000826381574	608126136	/nfs/dbraw/zinc/12/61/36/608126136.db2.gz	QSUIKDWINZIRAS-UHFFFAOYSA-N	1	0	368.445	1.388	20	30		FDEDRO
C#CC[C@@H]([NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1ccccc1	ZINC000823838772	608519689	/nfs/dbraw/zinc/51/96/89/608519689.db2.gz	UMXQNSNVLSLTAD-GOSISDBHSA-N	1	0	360.421	1.837	20	30		FDEDRO
CC(=NNC(=S)NCCC[NH+](C)C)c1ccc(-c2nn[nH]n2)c(F)c1	ZINC000823953637	609159096	/nfs/dbraw/zinc/15/90/96/609159096.db2.gz	JTBJFJBRXAHYJC-UHFFFAOYSA-N	1	0	364.454	1.146	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+](CCO)CCCOC)c(OC)c1	ZINC000275460115	674622752	/nfs/dbraw/zinc/62/27/52/674622752.db2.gz	MZOJPWVYOOZFMI-KRWDZBQOSA-N	1	0	353.459	1.494	20	30		FDEDRO
C=CCN(C(=O)Nc1ccccc1CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1	ZINC000275709873	674629253	/nfs/dbraw/zinc/62/92/53/674629253.db2.gz	UNZBRGLDUHIWAA-MRXNPFEDSA-N	1	0	365.499	1.998	20	30		FDEDRO
C[C@@H](CC[NH+](C)C)NC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1	ZINC000278607285	675160130	/nfs/dbraw/zinc/16/01/30/675160130.db2.gz	MIDYSVGMQVBEGM-STQMWFEESA-N	1	0	352.460	1.834	20	30		FDEDRO
C=C(C)CNC(=S)N(CC[NH+](C)C)Cc1nc2ccccc2c(=O)[nH]1	ZINC000047809079	671051856	/nfs/dbraw/zinc/05/18/56/671051856.db2.gz	RPHQUAZEQLHHFE-UHFFFAOYSA-N	1	0	359.499	1.737	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[N@H+](C)CC2)cc1	ZINC000278654014	675167947	/nfs/dbraw/zinc/16/79/47/675167947.db2.gz	PZXLTJJPPFWLJE-CYBMUJFWSA-N	1	0	350.444	1.542	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH2+]C2CCN(CCS(C)(=O)=O)CC2)cc1	ZINC000068989012	671375471	/nfs/dbraw/zinc/37/54/71/671375471.db2.gz	RTSCFGCSONBRBM-OAHLLOKOSA-N	1	0	365.499	1.576	20	30		FDEDRO
C=C(Br)CNC(=[NH+]CC)N1CCN(c2ncccn2)CC1	ZINC000073446220	671401443	/nfs/dbraw/zinc/40/14/43/671401443.db2.gz	XAAISOSYNQUCQG-UHFFFAOYSA-N	1	0	353.268	1.473	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1	ZINC000076512747	671427318	/nfs/dbraw/zinc/42/73/18/671427318.db2.gz	JSPNQSFPYUBIKO-UHFFFAOYSA-N	1	0	366.805	1.953	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)c2nc(C)cs2)CC1	ZINC000286819996	675907005	/nfs/dbraw/zinc/90/70/05/675907005.db2.gz	WGKMUOOKBQOXAC-ZDUSSCGKSA-N	1	0	364.515	1.828	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)N1CCSCC1)N1CCc2ccccc21	ZINC000081773058	671468909	/nfs/dbraw/zinc/46/89/09/671468909.db2.gz	GTVKMIOCTQISGY-UHFFFAOYSA-N	1	0	368.528	1.003	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)N1CCSCC1)N[C@@H]1CCC[C@H](C)C1	ZINC000085985708	671482288	/nfs/dbraw/zinc/48/22/88/671482288.db2.gz	YZYAHAJIGCZKPO-UONOGXRCSA-N	1	0	362.565	1.109	20	30		FDEDRO
Cc1ncsc1CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000089120806	671492116	/nfs/dbraw/zinc/49/21/16/671492116.db2.gz	ICBHOSOGCRMFMD-LBPRGKRZSA-N	1	0	351.476	1.832	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC2(C[NH+](C)C)CCC2)cc1	ZINC000287031302	675911092	/nfs/dbraw/zinc/91/10/92/675911092.db2.gz	CQTMKZXMOKCPDR-ZDUSSCGKSA-N	1	0	364.471	1.978	20	30		FDEDRO
N#CCCN(CCN1CCOCC1)C[C@H](O)Cc1cccc(Cl)c1	ZINC000287603207	675918882	/nfs/dbraw/zinc/91/88/82/675918882.db2.gz	DIVMGZOYZBFFFC-GOSISDBHSA-N	1	0	351.878	1.791	20	30		FDEDRO
COCCNS(=O)(=O)c1ccc(CNC(=[NH2+])NCCC(C)C)cc1	ZINC000104175615	671594996	/nfs/dbraw/zinc/59/49/96/671594996.db2.gz	DJPNNMIOVFPQML-UHFFFAOYSA-N	1	0	356.492	1.062	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)CN(C)S(=O)(=O)c1ccccc1	ZINC000121691843	671708851	/nfs/dbraw/zinc/70/88/51/671708851.db2.gz	HKAGILBQJCUTHE-INIZCTEOSA-N	1	0	366.483	1.584	20	30		FDEDRO
C=CCn1c(C)nn(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1=S	ZINC000152577874	671885293	/nfs/dbraw/zinc/88/52/93/671885293.db2.gz	LGXFAXFEEMKMCV-QGZVFWFLSA-N	1	0	364.563	1.968	20	30		FDEDRO
CC[NH+]=C(NCc1nc(C)no1)N1CCN(c2nc(CC)ns2)CC1	ZINC000153146997	671896253	/nfs/dbraw/zinc/89/62/53/671896253.db2.gz	LGONRLKZMVSWHW-UHFFFAOYSA-N	1	0	364.479	1.080	20	30		FDEDRO
C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000288048031	675959613	/nfs/dbraw/zinc/95/96/13/675959613.db2.gz	OTHXZGUQVICBRX-JTQLQIEISA-N	1	0	367.247	1.716	20	30		FDEDRO
C#CCSCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000190466570	672326969	/nfs/dbraw/zinc/32/69/69/672326969.db2.gz	BKGKXZKAYGURSJ-GOSISDBHSA-N	1	0	361.511	1.943	20	30		FDEDRO
C[C@@H]1CN(C[C@H]2CCCN2S(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C)O1	ZINC000195662111	672408719	/nfs/dbraw/zinc/40/87/19/672408719.db2.gz	QTEGICJDCPGGAL-BFYDXBDKSA-N	1	0	363.483	1.821	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)C[C@H]2CCCC[C@@H]2O)CC1	ZINC000245536967	672449587	/nfs/dbraw/zinc/44/95/87/672449587.db2.gz	GEJATDBMAKVLBV-SQNIBIBYSA-N	1	0	350.507	1.162	20	30		FDEDRO
CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H](C)CS(=O)(=O)c1ccc(C)cc1	ZINC000248510948	672535129	/nfs/dbraw/zinc/53/51/29/672535129.db2.gz	ARFCKCROCUXVME-HZPDHXFCSA-N	1	0	366.531	1.546	20	30		FDEDRO
C[NH+]=C(NCc1ccc(C)s1)NCC1CCN(S(C)(=O)=O)CC1	ZINC000261598014	672632876	/nfs/dbraw/zinc/63/28/76/672632876.db2.gz	AHEDTBONXXHIQE-UHFFFAOYSA-N	1	0	358.533	1.393	20	30		FDEDRO
CC[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N1CC[C@H](CC(C)C)C1	ZINC000261612332	672635518	/nfs/dbraw/zinc/63/55/18/672635518.db2.gz	GBNNVRUTUGNMHL-QGZVFWFLSA-N	1	0	372.579	1.992	20	30		FDEDRO
COCC1(CNS(=O)(=O)c2ccc(C#N)cc2Cl)CC[NH2+]CC1	ZINC000261642280	672641633	/nfs/dbraw/zinc/64/16/33/672641633.db2.gz	DZOLSHCKGJNEOF-UHFFFAOYSA-N	1	0	357.863	1.506	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(S(N)(=O)=O)s1)N1CC[C@@](C)(CC)C1	ZINC000261776008	672670272	/nfs/dbraw/zinc/67/02/72/672670272.db2.gz	ORMJDEDYIXGLLO-OAHLLOKOSA-N	1	0	358.533	1.983	20	30		FDEDRO
C[NH+]=C(NCc1nc(C)no1)N[C@H]1CCN(c2c(F)cccc2F)C1	ZINC000261786493	672672454	/nfs/dbraw/zinc/67/24/54/672672454.db2.gz	PUBXIVORDOQTDY-NSHDSACASA-N	1	0	350.373	1.600	20	30		FDEDRO
CC[C@@]1(C)CCN(C(NCCS(=O)(=O)N2CCSCC2)=[NH+]C)C1	ZINC000261810886	672675987	/nfs/dbraw/zinc/67/59/87/672675987.db2.gz	SLQTXOKHENGDEV-HNNXBMFYSA-N	1	0	362.565	1.062	20	30		FDEDRO
CC[NH+]=C(NCc1ccsc1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1	ZINC000261812820	672676543	/nfs/dbraw/zinc/67/65/43/672676543.db2.gz	STXWAUYAEKNMCW-QGZVFWFLSA-N	1	0	363.487	1.524	20	30		FDEDRO
C[NH+]=C(NCCn1ccnc1)N(C)Cc1cc(Br)cn1C	ZINC000261818886	672677529	/nfs/dbraw/zinc/67/75/29/672677529.db2.gz	UGRXILMFJXLXBP-UHFFFAOYSA-N	1	0	353.268	1.692	20	30		FDEDRO
[NH2+]=C(NCCNS(=O)(=O)c1ccc(F)cc1Cl)NC1CCCC1	ZINC000261836070	672680698	/nfs/dbraw/zinc/68/06/98/672680698.db2.gz	QIIDTPJESJGLBG-UHFFFAOYSA-N	1	0	362.858	1.604	20	30		FDEDRO
C[NH+]=C(NC[C@H](c1ccccc1)N(C)C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261931701	672696297	/nfs/dbraw/zinc/69/62/97/672696297.db2.gz	BNSDMILULLUNNS-MRXNPFEDSA-N	1	0	366.531	1.374	20	30		FDEDRO
CC[NH+]=C(NC[C@@]1(O)CCSC1)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000261934650	672696786	/nfs/dbraw/zinc/69/67/86/672696786.db2.gz	LYNKZGZNOFLZTH-KRWDZBQOSA-N	1	0	356.536	1.151	20	30		FDEDRO
CC[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N(C)Cc1cc(Cl)cn1C	ZINC000261936626	672697372	/nfs/dbraw/zinc/69/73/72/672697372.db2.gz	CPCSHOSNFAYUQK-GFCCVEGCSA-N	1	0	360.911	1.511	20	30		FDEDRO
C[NH+]=C(NC[C@H](C)N1CCCC[C@@H]1C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261944420	672698557	/nfs/dbraw/zinc/69/85/57/672698557.db2.gz	FKBXJXPMXJLUJQ-GJZGRUSLSA-N	1	0	358.552	1.334	20	30		FDEDRO
C[NH+]=C(NC[C@@H](O)c1ccc(C)cc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261949732	672700207	/nfs/dbraw/zinc/70/02/07/672700207.db2.gz	HAUPJXDQZZXLNL-OAHLLOKOSA-N	1	0	353.488	1.113	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)NC[C@@]1(C)CCCS1	ZINC000261957681	672702144	/nfs/dbraw/zinc/70/21/44/672702144.db2.gz	JHHRFKOWLMJPAT-DZGCQCFKSA-N	1	0	362.565	1.109	20	30		FDEDRO
CC[NH+]=C(NCCOc1cccc(F)c1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261960388	672702582	/nfs/dbraw/zinc/70/25/82/672702582.db2.gz	JZNATBSLIFLBPX-UHFFFAOYSA-N	1	0	371.478	1.679	20	30		FDEDRO
[NH2+]=C(NCCNS(=O)(=O)c1ccccc1)Nc1ccc2c(c1)CCC2	ZINC000261967612	672703768	/nfs/dbraw/zinc/70/37/68/672703768.db2.gz	BYUHJWLFNDEMMP-UHFFFAOYSA-N	1	0	358.467	1.880	20	30		FDEDRO
CN(C)C(=[NH+]CC1CCN(S(=O)(=O)c2ccccc2)CC1)N(C)C	ZINC000261992390	672708075	/nfs/dbraw/zinc/70/80/75/672708075.db2.gz	MOCCOVPFKOVXAD-UHFFFAOYSA-N	1	0	352.504	1.567	20	30		FDEDRO
CC(C)NC(=[NH2+])NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1	ZINC000261997550	672708950	/nfs/dbraw/zinc/70/89/50/672708950.db2.gz	OJAADIMCPNYNSL-AWEZNQCLSA-N	1	0	352.504	1.920	20	30		FDEDRO
C[NH+]=C(NC[C@]1(O)CCSC1)N[C@H]1CCN(c2ncccc2Cl)C1	ZINC000262004504	672710699	/nfs/dbraw/zinc/71/06/99/672710699.db2.gz	VFJAWKNVDZLIIU-BLLLJJGKSA-N	1	0	369.922	1.347	20	30		FDEDRO
Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=[NH2+])NC1CCCC1	ZINC000262113285	672728854	/nfs/dbraw/zinc/72/88/54/672728854.db2.gz	KQOLDLUBAYGZEG-UHFFFAOYSA-N	1	0	358.895	1.774	20	30		FDEDRO
[NH2+]=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCCCCC1	ZINC000262233672	672751370	/nfs/dbraw/zinc/75/13/70/672751370.db2.gz	AUKCBLBKTCZVNC-UHFFFAOYSA-N	1	0	354.432	1.559	20	30		FDEDRO
C[C@H](NC(=[NH2+])NC[C@H]1CC[C@@H](C(N)=O)O1)c1ccc(Cl)cc1Cl	ZINC000262350549	672774822	/nfs/dbraw/zinc/77/48/22/672774822.db2.gz	FBLDXJVWOUGBOR-PLMOITTCSA-N	1	0	359.257	1.992	20	30		FDEDRO
C[C@@H]1CCC[C@H]([NH+]=C(NC[C@@H]2CCS(=O)(=O)C2)NC2CCOCC2)C1	ZINC000262375217	672778838	/nfs/dbraw/zinc/77/88/38/672778838.db2.gz	JJQMXOMJPPYZDN-VYDXJSESSA-N	1	0	371.547	1.714	20	30		FDEDRO
C=C(C)CNC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+][C@H]1CCOC2(CCC2)C1	ZINC000262397725	672783134	/nfs/dbraw/zinc/78/31/34/672783134.db2.gz	NEUIELOOJMCOSM-HOTGVXAUSA-N	1	0	369.531	1.634	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(NC[C@H]2CCCCO2)=[NH+]C2CCCCC2)C1	ZINC000262405706	672783961	/nfs/dbraw/zinc/78/39/61/672783961.db2.gz	OMIMVIDIBXSBGC-NVXWUHKLSA-N	1	0	371.547	1.858	20	30		FDEDRO
C[NH+]=C(NCc1ccc2c(c1)OCO2)NCC1(SC)CCOCC1	ZINC000262404489	672784078	/nfs/dbraw/zinc/78/40/78/672784078.db2.gz	ROQQKFMPDSGCCQ-UHFFFAOYSA-N	1	0	351.472	1.993	20	30		FDEDRO
C[C@H](O)[C@@H]1CCN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)C1	ZINC000262408171	672784820	/nfs/dbraw/zinc/78/48/20/672784820.db2.gz	OWFBRBJJRGDBLQ-SOUVJXGZSA-N	1	0	357.520	1.012	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCc2c(F)cc(F)cc2C1	ZINC000262414077	672785590	/nfs/dbraw/zinc/78/55/90/672785590.db2.gz	PVNKRKRATWTMQW-LBPRGKRZSA-N	1	0	371.453	1.723	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(NC2CCOCC2)=[NH+]C2CCCCC2)C1	ZINC000262417877	672786200	/nfs/dbraw/zinc/78/62/00/672786200.db2.gz	QLVFIGSFVUGRNH-CQSZACIVSA-N	1	0	357.520	1.468	20	30		FDEDRO
CO[C@@H]1C[C@H](NC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)C1(C)C	ZINC000262438109	672789540	/nfs/dbraw/zinc/78/95/40/672789540.db2.gz	UGOXUYIXXJDFBN-VNQPRFMTSA-N	1	0	371.547	1.712	20	30		FDEDRO
C[C@@H]1C[C@H](NC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)CCO1	ZINC000262463927	672794356	/nfs/dbraw/zinc/79/43/56/672794356.db2.gz	XZTAHOVTNYUMBA-IJEWVQPXSA-N	1	0	357.520	1.466	20	30		FDEDRO
C[C@@H]1CN(C(=[NH2+])NCCNC(=O)c2cccc(Br)c2)CCO1	ZINC000262475583	672796023	/nfs/dbraw/zinc/79/60/23/672796023.db2.gz	PYWNKFMKDBKMIT-LLVKDONJSA-N	1	0	369.263	1.214	20	30		FDEDRO
C[NH+]=C(NCCc1ccco1)N1CCS(=O)(=O)C2(CCCCC2)C1	ZINC000262608663	672817464	/nfs/dbraw/zinc/81/74/64/672817464.db2.gz	AKPUUMBDHGYKAT-UHFFFAOYSA-N	1	0	353.488	1.831	20	30		FDEDRO
COc1cccc(NC(=[NH2+])NC[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c1	ZINC000262645447	672824701	/nfs/dbraw/zinc/82/47/01/672824701.db2.gz	IZCVVGOUEUGJSF-WFASDCNBSA-N	1	0	354.476	1.530	20	30		FDEDRO
CN(C)[C@H](CNC(=[NH2+])NCCCN1CCOCC1)c1cccc(F)c1	ZINC000264067829	672899860	/nfs/dbraw/zinc/89/98/60/672899860.db2.gz	FHHQPXFWOLZBOF-QGZVFWFLSA-N	1	0	351.470	1.055	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1ccc(Br)c(F)c1	ZINC000264078006	672900142	/nfs/dbraw/zinc/90/01/42/672900142.db2.gz	GIGCTATURFTJJE-UHFFFAOYSA-N	1	0	373.270	1.715	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](c2ccco2)N(C)C)CC1	ZINC000264131901	672902191	/nfs/dbraw/zinc/90/21/91/672902191.db2.gz	UDNWNNMXKDABCF-AWEZNQCLSA-N	1	0	351.451	1.408	20	30		FDEDRO
COCCNC(=[NH2+])NCc1nnc2c(Cl)cc(C(F)(F)F)cn12	ZINC000264134874	672902544	/nfs/dbraw/zinc/90/25/44/672902544.db2.gz	UZYBPDKZBTYZKO-UHFFFAOYSA-N	1	0	350.732	1.452	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CC)cc1	ZINC000264780833	672925019	/nfs/dbraw/zinc/92/50/19/672925019.db2.gz	WLOMXKCKDIIHHE-MRXNPFEDSA-N	1	0	363.483	1.202	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c1	ZINC000289200983	676104926	/nfs/dbraw/zinc/10/49/26/676104926.db2.gz	JRGOQEQNSXLMTP-SHTZXODSSA-N	1	0	365.499	1.646	20	30		FDEDRO
C[NH+](C)CC[C@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)C(C)(C)C	ZINC000266911133	673214299	/nfs/dbraw/zinc/21/42/99/673214299.db2.gz	SMIIGNTWMJBJEF-HYEKCJMVSA-N	1	0	350.463	1.386	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCC[S@@](=O)C(C)(C)C)cc1OC	ZINC000267420091	673301752	/nfs/dbraw/zinc/30/17/52/673301752.db2.gz	KFQNGTUXZQZULJ-XMMPIXPASA-N	1	0	355.504	1.698	20	30		FDEDRO
COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000289447558	676137541	/nfs/dbraw/zinc/13/75/41/676137541.db2.gz	FHQAPWWVQIWXSA-UHFFFAOYSA-N	1	0	369.462	1.819	20	30		FDEDRO
CC[NH+](CC)CCN(C(=O)c1cc(C#N)oc1C)[C@@H]1CCS(=O)(=O)C1	ZINC000281395662	675515966	/nfs/dbraw/zinc/51/59/66/675515966.db2.gz	VRJZPDMGAHRYPM-CQSZACIVSA-N	1	0	367.471	1.431	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1	ZINC000281724201	675550631	/nfs/dbraw/zinc/55/06/31/675550631.db2.gz	FJWIKVVBJXCJBE-INMHGKMJSA-N	1	0	350.488	1.575	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NCC1CCN(c2cc[nH+]cc2)CC1	ZINC000282245896	675615809	/nfs/dbraw/zinc/61/58/09/675615809.db2.gz	FDUVIHWPQZTEMG-CQSZACIVSA-N	1	0	351.476	1.366	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1	ZINC000282427247	675628785	/nfs/dbraw/zinc/62/87/85/675628785.db2.gz	CCJVDMUSUZULNE-WBVHZDCISA-N	1	0	350.488	1.892	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000283001695	675646915	/nfs/dbraw/zinc/64/69/15/675646915.db2.gz	NZHXGIQUWDYCEI-WMZOPIPTSA-N	1	0	364.515	1.919	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccc(F)c(S(=O)(=O)N(C)C)c2)CC1	ZINC000283201349	675651403	/nfs/dbraw/zinc/65/14/03/675651403.db2.gz	MOHPRWGRNPHXRY-UHFFFAOYSA-N	1	0	369.462	1.456	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1ccc(S(=O)(=O)CC)cc1	ZINC000284008300	675667117	/nfs/dbraw/zinc/66/71/17/675667117.db2.gz	DWSPFJMGYQUAJA-CQSZACIVSA-N	1	0	351.472	1.893	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)NC[C@H](c1ccco1)[NH+](CC)CC	ZINC000284360832	675698474	/nfs/dbraw/zinc/69/84/74/675698474.db2.gz	CJAUUWIUHWRLFD-CQSZACIVSA-N	1	0	353.488	1.814	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)c(Br)c1	ZINC000293263908	676340954	/nfs/dbraw/zinc/34/09/54/676340954.db2.gz	FDQYXVOZFTYCMO-UHFFFAOYSA-N	1	0	370.222	1.598	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(Br)cc1C#N	ZINC000294597564	676391085	/nfs/dbraw/zinc/39/10/85/676391085.db2.gz	LVSCOXAUIWWJOD-GFCCVEGCSA-N	1	0	365.275	1.686	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]([NH3+])[C@H]2C)ccc1F	ZINC000297434417	676426110	/nfs/dbraw/zinc/42/61/10/676426110.db2.gz	UCIVOZDXBSHYOM-BXUZGUMPSA-N	1	0	355.435	1.242	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21	ZINC000297863908	676430116	/nfs/dbraw/zinc/43/01/16/676430116.db2.gz	FUEGFRXSDZPTOK-JSGCOSHPSA-N	1	0	369.512	1.609	20	30		FDEDRO
C[C@@H](O)C[N@@H+]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)C1	ZINC000299374397	676531592	/nfs/dbraw/zinc/53/15/92/676531592.db2.gz	QJKXTXWJNXOFOT-UONOGXRCSA-N	1	0	364.877	1.927	20	30		FDEDRO
CC(C)NS(=O)(=O)Cc1ccccc1CNC(=[NH2+])NCC1CCC1	ZINC000303770287	676542734	/nfs/dbraw/zinc/54/27/34/676542734.db2.gz	BVIBERGFNAZALU-UHFFFAOYSA-N	1	0	352.504	1.719	20	30		FDEDRO
CC(C)CCNC(=[NH2+])NCc1ccc(CS(=O)(=O)NC(C)C)cc1	ZINC000303865629	676543339	/nfs/dbraw/zinc/54/33/39/676543339.db2.gz	BRAXZPLVPKBBQX-UHFFFAOYSA-N	1	0	354.520	1.965	20	30		FDEDRO
CN(C)S(=O)(=O)c1ccc(CNC(=[NH2+])NCCc2cccs2)cc1	ZINC000303867148	676543350	/nfs/dbraw/zinc/54/33/50/676543350.db2.gz	CRENSXCNEHZGPK-UHFFFAOYSA-N	1	0	366.512	1.645	20	30		FDEDRO
COc1cccc(OCCCNC(=[NH2+])NCCCN2CCOCC2)c1	ZINC000304740939	676544133	/nfs/dbraw/zinc/54/41/33/676544133.db2.gz	BYGCILNPPPZBIW-UHFFFAOYSA-N	1	0	350.463	1.091	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1c(F)cccc1OC(F)F	ZINC000304695825	676544136	/nfs/dbraw/zinc/54/41/36/676544136.db2.gz	TTZRDEMNEFLNRG-UHFFFAOYSA-N	1	0	360.380	1.424	20	30		FDEDRO
CC(C)CCC[C@@H](C)NC(=[NH2+])NCCNS(=O)(=O)Cc1ccon1	ZINC000304793523	676544598	/nfs/dbraw/zinc/54/45/98/676544598.db2.gz	LPEUQQRSNRPLMK-CYBMUJFWSA-N	1	0	359.496	1.213	20	30		FDEDRO
CN(C)S(=O)(=O)c1cccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1	ZINC000328641760	676600473	/nfs/dbraw/zinc/60/04/73/676600473.db2.gz	DKBMNLPOZWFMBJ-CVEARBPZSA-N	1	0	366.487	1.699	20	30		FDEDRO
CS(=O)(=O)N1CCC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1	ZINC000328664274	676601294	/nfs/dbraw/zinc/60/12/94/676601294.db2.gz	BRQQSHVAAOJQKI-MRXNPFEDSA-N	1	0	373.519	1.258	20	30		FDEDRO
CCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1	ZINC000328872984	676610237	/nfs/dbraw/zinc/61/02/37/676610237.db2.gz	FAIPTROTNSYZEB-CQSZACIVSA-N	1	0	363.487	1.733	20	30		FDEDRO
C[NH+]1CCC2(CCCN2C(=O)NCCNC(=O)c2cccs2)CC1	ZINC000329071808	676618347	/nfs/dbraw/zinc/61/83/47/676618347.db2.gz	NXBHFICFLMWRAP-UHFFFAOYSA-N	1	0	350.488	1.952	20	30		FDEDRO
CN1CCO[C@@H](CNC(=O)NCCc2cc(F)cc3c2OCOC3)C1	ZINC000329103938	676620064	/nfs/dbraw/zinc/62/00/64/676620064.db2.gz	NWFPRYVTEYTMPB-HNNXBMFYSA-N	1	0	353.394	1.069	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)C1	ZINC000329114269	676620629	/nfs/dbraw/zinc/62/06/29/676620629.db2.gz	LVTGOCRMQRZJAW-NUJGCVRESA-N	1	0	355.479	1.185	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)NC(=O)C3CCCC3)C2)CC1	ZINC000329137333	676622145	/nfs/dbraw/zinc/62/21/45/676622145.db2.gz	DFBAHNFTRGSENP-DOTOQJQBSA-N	1	0	350.507	1.760	20	30		FDEDRO
C[C@H](CNC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)[NH+]1CCC(C)CC1	ZINC000329140338	676622386	/nfs/dbraw/zinc/62/23/86/676622386.db2.gz	SYXYZQPBYCDDTB-XDNAFOTISA-N	1	0	353.507	1.883	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)NCCc3csc(C)n3)C2)CC1	ZINC000329202703	676625161	/nfs/dbraw/zinc/62/51/61/676625161.db2.gz	YFMVLIHVYQLJDN-INIZCTEOSA-N	1	0	351.520	1.620	20	30		FDEDRO
C[C@H](CNC(=O)[C@H]1CSCN1C(=O)C1CCC1)N1CC[NH+](C)CC1	ZINC000329327429	676633430	/nfs/dbraw/zinc/63/34/30/676633430.db2.gz	UPFGBAJAPARUNL-UKRRQHHQSA-N	1	0	354.520	1.280	20	30		FDEDRO
CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1	ZINC000329407785	676637380	/nfs/dbraw/zinc/63/73/80/676637380.db2.gz	BFABLYRYXOXKJD-HZPDHXFCSA-N	1	0	372.535	1.273	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)N2CC[C@H](NC(=O)NC3CC3)C2)CCSC1	ZINC000329443343	676638903	/nfs/dbraw/zinc/63/89/03/676638903.db2.gz	ATWXHWZVMSWWMA-BBRMVZONSA-N	1	0	355.508	1.078	20	30		FDEDRO
CN1CCO[C@H](C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)C1	ZINC000329751719	676652972	/nfs/dbraw/zinc/65/29/72/676652972.db2.gz	VWFVNYDKGMAMGK-HNNXBMFYSA-N	1	0	353.444	1.014	20	30		FDEDRO
O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@H]1CCCS(=O)(=O)C1	ZINC000329773575	676654918	/nfs/dbraw/zinc/65/49/18/676654918.db2.gz	IBXMFSXASHJFSL-KRWDZBQOSA-N	1	0	365.499	1.863	20	30		FDEDRO
CC(C)N1C(=O)CN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1(C)C	ZINC000329779289	676655519	/nfs/dbraw/zinc/65/55/19/676655519.db2.gz	QVWVDZJQFIYAAR-UHFFFAOYSA-N	1	0	350.507	1.901	20	30		FDEDRO
C[C@H](CNC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)C[NH+]1CCN(C)CC1	ZINC000329817970	676658747	/nfs/dbraw/zinc/65/87/47/676658747.db2.gz	WYVDGHZXORXYKO-TWMKSMIVSA-N	1	0	352.523	1.577	20	30		FDEDRO
NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CC[C@]3(CCOC3)C2)c1	ZINC000329836227	676659823	/nfs/dbraw/zinc/65/98/23/676659823.db2.gz	VAAJXUYKTVUTCO-INIZCTEOSA-N	1	0	353.444	1.425	20	30		FDEDRO
CCS(=O)(=O)N1CCC[C@H](C(=O)NCC2CC[NH+](C3CC3)CC2)C1	ZINC000329949709	676665107	/nfs/dbraw/zinc/66/51/07/676665107.db2.gz	LOPPZPUPSHYULY-HNNXBMFYSA-N	1	0	357.520	1.879	20	30		FDEDRO
O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N[C@H]1CCCS(=O)(=O)C1	ZINC000329981735	676667196	/nfs/dbraw/zinc/66/71/96/676667196.db2.gz	NWHMGRLPWXGSQK-SJORKVTESA-N	1	0	365.499	1.589	20	30		FDEDRO
Cn1nc(CC(=O)NC[C@]2([NH+](C)C)CCSC2)c2ccccc2c1=O	ZINC000330046304	676670060	/nfs/dbraw/zinc/67/00/60/676670060.db2.gz	IQLGICKGUSRWRH-GOSISDBHSA-N	1	0	360.483	1.870	20	30		FDEDRO
CS(=O)(=O)CC1(CNC(=O)N2CCC([NH+]3CCCCC3)CC2)CC1	ZINC000330092907	676672073	/nfs/dbraw/zinc/67/20/73/676672073.db2.gz	ZGMLCLPVFZDQAM-UHFFFAOYSA-N	1	0	357.520	1.676	20	30		FDEDRO
CCN(CC)C(=O)N1CCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1	ZINC000330127717	676674406	/nfs/dbraw/zinc/67/44/06/676674406.db2.gz	DHMXBCMAKFKVCN-KRWDZBQOSA-N	1	0	371.551	1.417	20	30		FDEDRO
Cc1nc([C@H](C)NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cs1	ZINC000330153254	676675332	/nfs/dbraw/zinc/67/53/32/676675332.db2.gz	XCDWITDHATXZRC-WFASDCNBSA-N	1	0	365.503	1.665	20	30		FDEDRO
Cc1nnc([C@@H]2CCCN(C(=O)NC[C@@]3([NH+](C)C)CCSC3)C2)[nH]1	ZINC000330161379	676676060	/nfs/dbraw/zinc/67/60/60/676676060.db2.gz	SXYBQNLCOURZPP-CJNGLKHVSA-N	1	0	352.508	1.644	20	30		FDEDRO
CO[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C[C@@H]1OC	ZINC000330171851	676676499	/nfs/dbraw/zinc/67/64/99/676676499.db2.gz	FVQRDQCVKNTIQB-TWMKSMIVSA-N	1	0	355.479	1.014	20	30		FDEDRO
Cc1nsc(N2CCCN(C([O-])=[NH+][C@@H]3CCn4ccnc4C3)CC2)n1	ZINC000330185665	676677290	/nfs/dbraw/zinc/67/72/90/676677290.db2.gz	JGTXXOWLOFDDON-CYBMUJFWSA-N	1	0	361.475	1.484	20	30		FDEDRO
CC(C)CN1CCN(C(=O)N[C@H](C)[C@H](C)N2CCOCC2)[C@@H](C)C1=O	ZINC000330191873	676677746	/nfs/dbraw/zinc/67/77/46/676677746.db2.gz	NIZBCGNJYBGPEG-PMPSAXMXSA-N	1	0	354.495	1.198	20	30		FDEDRO
CCN(CCCNC(=O)N1CCC([NH+]2CCCCC2)CC1)S(C)(=O)=O	ZINC000330463593	676691996	/nfs/dbraw/zinc/69/19/96/676691996.db2.gz	CQKBEESTSRCOGV-UHFFFAOYSA-N	1	0	374.551	1.522	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2coc(S(=O)(=O)N(C)C)c2)C1	ZINC000330470237	676692216	/nfs/dbraw/zinc/69/22/16/676692216.db2.gz	AIQPAZJXDRFAKR-AWEZNQCLSA-N	1	0	373.475	1.191	20	30		FDEDRO
CS[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)C[C@H]1[NH+](C)C	ZINC000330499792	676693994	/nfs/dbraw/zinc/69/39/94/676693994.db2.gz	LCZZBNCXHPORNN-BZUAXINKSA-N	1	0	370.563	1.772	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C2CCN(C(=O)N(CC)CC)CC2)CC1	ZINC000330648650	676699555	/nfs/dbraw/zinc/69/95/55/676699555.db2.gz	IIHNZORAEUTQOM-UHFFFAOYSA-N	1	0	350.507	1.927	20	30		FDEDRO
C[NH+](C)C[C@H]1CN(C(=O)Nc2ccnc(OCC(F)(F)F)c2)CCO1	ZINC000330688306	676700777	/nfs/dbraw/zinc/70/07/77/676700777.db2.gz	WWMVIFMCVIIATA-LBPRGKRZSA-N	1	0	362.352	1.831	20	30		FDEDRO
CC[C@@H]1CN(C(=O)NC2CCC(C(=O)NC)CC2)CC[N@@H+]1CCOC	ZINC000330836315	676705791	/nfs/dbraw/zinc/70/57/91/676705791.db2.gz	KQIBFMSTRCZXPB-UYSNPLJNSA-N	1	0	354.495	1.248	20	30		FDEDRO
CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCc1cccc(NS(C)(=O)=O)c1	ZINC000330837383	676705898	/nfs/dbraw/zinc/70/58/98/676705898.db2.gz	IPQYVONAHSWWJG-INIZCTEOSA-N	1	0	368.503	1.744	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CC[NH+](CC2CCOCC2)CC1	ZINC000330836762	676705934	/nfs/dbraw/zinc/70/59/34/676705934.db2.gz	RNJOOUGIBFYJHV-LPHOPBHVSA-N	1	0	350.507	1.474	20	30		FDEDRO
Cc1ccc(S(C)(=O)=O)cc1C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1	ZINC000330845717	676706311	/nfs/dbraw/zinc/70/63/11/676706311.db2.gz	ZRZZEDZUXBAHMA-OAHLLOKOSA-N	1	0	368.499	1.796	20	30		FDEDRO
CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1	ZINC000330849881	676706451	/nfs/dbraw/zinc/70/64/51/676706451.db2.gz	NBWHVTUSHWYULX-BBRMVZONSA-N	1	0	368.503	1.581	20	30		FDEDRO
CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC(S(N)(=O)=O)CC1	ZINC000330891540	676708400	/nfs/dbraw/zinc/70/84/00/676708400.db2.gz	XEOQHSWJBPCUCT-AWEZNQCLSA-N	1	0	360.524	1.308	20	30		FDEDRO
CCc1ccc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc1S(N)(=O)=O	ZINC000330898538	676708641	/nfs/dbraw/zinc/70/86/41/676708641.db2.gz	UWIUHGTWPPMAPP-VXGBXAGGSA-N	1	0	354.476	1.466	20	30		FDEDRO
Cc1c(CNC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cccc1[N+](=O)[O-]	ZINC000331106185	676716868	/nfs/dbraw/zinc/71/68/68/676716868.db2.gz	QWZWURDNFNREDV-OLZOCXBDSA-N	1	0	350.419	1.704	20	30		FDEDRO
CNS(=O)(=O)c1cccc(C(=O)NC[C@]2([NH+](C)C)CCSC2)c1	ZINC000331114448	676717260	/nfs/dbraw/zinc/71/72/60/676717260.db2.gz	UWHJSKQIBMSWCP-OAHLLOKOSA-N	1	0	357.501	1.337	20	30		FDEDRO
C[C@H]([NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O)C(=O)NC1(C#N)CCCCC1	ZINC000331170065	676719767	/nfs/dbraw/zinc/71/97/67/676719767.db2.gz	HYBBSSWJMNJSNJ-KKUMJFAQSA-N	1	0	370.519	1.168	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CC[NH+](CC2CCOCC2)CC1	ZINC000333510922	676769804	/nfs/dbraw/zinc/76/98/04/676769804.db2.gz	XQJYAGUCBGUUTR-ZWKOTPCHSA-N	1	0	351.491	1.721	20	30		FDEDRO
C=C(C)[C@H](Cc1nc(CC(=O)N2CCC([NH+](C)C)CC2)no1)OCC	ZINC000350917620	676845494	/nfs/dbraw/zinc/84/54/94/676845494.db2.gz	VJPQKTDHNGIOFE-HNNXBMFYSA-N	1	0	350.463	1.688	20	30		FDEDRO
CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)c1	ZINC000361033873	676882002	/nfs/dbraw/zinc/88/20/02/676882002.db2.gz	VECSMZWXAPWRGX-OWLYRPNTSA-N	1	0	363.483	1.924	20	30		FDEDRO
C=CCNc1ncc(C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)s1	ZINC000363706344	676969736	/nfs/dbraw/zinc/96/97/36/676969736.db2.gz	BEOILVPOBMKQAI-RBSFLKMASA-N	1	0	364.515	2.360	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CCC[NH2+]CC2)cc1	ZINC000364644110	677038234	/nfs/dbraw/zinc/03/82/34/677038234.db2.gz	YPFUCLIINJTCKJ-HNNXBMFYSA-N	1	0	351.472	1.365	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[NH+]([C@@H]2CCSC2)CC1	ZINC000365897748	677390140	/nfs/dbraw/zinc/39/01/40/677390140.db2.gz	YJHQIXUMEIQLMQ-HZPDHXFCSA-N	1	0	350.532	1.841	20	30		FDEDRO
O=C1NC(=O)[C@@H]2C[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)CC[C@H]12	ZINC000366336478	677435006	/nfs/dbraw/zinc/43/50/06/677435006.db2.gz	XLXRRRQOVMHRSR-UONOGXRCSA-N	1	0	352.312	1.531	20	30		FDEDRO
Cc1csc(NC(=O)C2CC[NH+](CCC(=O)N(C)CCC#N)CC2)n1	ZINC000367503486	677493028	/nfs/dbraw/zinc/49/30/28/677493028.db2.gz	STNFIHRCCZZXHA-UHFFFAOYSA-N	1	0	363.487	1.864	20	30		FDEDRO
C#CCCCS(=O)(=O)N1CCC[C@H](N(C)Cc2noc(C)n2)CC1	ZINC000367795424	677495867	/nfs/dbraw/zinc/49/58/67/677495867.db2.gz	VRJODQZGQOHACK-HNNXBMFYSA-N	1	0	354.476	1.408	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1	ZINC000369004016	677502653	/nfs/dbraw/zinc/50/26/53/677502653.db2.gz	VVURULQGRXXRKQ-NVXWUHKLSA-N	1	0	371.547	1.041	20	30		FDEDRO
C=CCN(C(=O)[C@H](C)NS(C)(=O)=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000369938139	677529965	/nfs/dbraw/zinc/52/99/65/677529965.db2.gz	XLROHJIFAPREGH-DOTOQJQBSA-N	1	0	365.499	1.213	20	30		FDEDRO
N#Cc1ccsc1NC(=O)CCN1CCC[C@H]1C[N@H+]1CCC[C@H]1CO	ZINC000370352800	677568246	/nfs/dbraw/zinc/56/82/46/677568246.db2.gz	DVBNCZPZLBICJS-HOTGVXAUSA-N	1	0	362.499	1.869	20	30		FDEDRO
CCOC(=O)C1(NC(=O)CSc2ccc(C#N)cc2)CC[NH+](C)CC1	ZINC000372326032	677895931	/nfs/dbraw/zinc/89/59/31/677895931.db2.gz	RKDRAGWXTALWSV-UHFFFAOYSA-N	1	0	361.467	1.794	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[N@@H+](CCC)CC2)c1	ZINC000374000457	678070259	/nfs/dbraw/zinc/07/02/59/678070259.db2.gz	CVYGNAZNNUQXFH-UHFFFAOYSA-N	1	0	363.483	1.156	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CCCN(Cc3ncc(Cl)n3C)CC2)C1=O	ZINC000374166799	678073551	/nfs/dbraw/zinc/07/35/51/678073551.db2.gz	YXBHJJDSQJULCZ-AWEZNQCLSA-N	1	0	351.882	1.368	20	30		FDEDRO
Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)N3CCO[C@H](C#N)C3)[C@H](C)C2)s1	ZINC000374180954	678073966	/nfs/dbraw/zinc/07/39/66/678073966.db2.gz	UBGXJOQZADBTSU-XPKDYRNWSA-N	1	0	363.487	1.596	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1	ZINC000374416657	678078958	/nfs/dbraw/zinc/07/89/58/678078958.db2.gz	RUHSYVOPVHDLNY-VYDXJSESSA-N	1	0	354.520	1.661	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1	ZINC000374462721	678083232	/nfs/dbraw/zinc/08/32/32/678083232.db2.gz	OBAVAXCIGFELNM-FUHWJXTLSA-N	1	0	364.515	1.919	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccnc2)C1	ZINC000374536099	678085466	/nfs/dbraw/zinc/08/54/66/678085466.db2.gz	IBVBGIQAZNIPJQ-DOTOQJQBSA-N	1	0	365.503	1.362	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[N@H+](CC2CCCCC2)CC1	ZINC000375585874	678153876	/nfs/dbraw/zinc/15/38/76/678153876.db2.gz	SEDSDGHFAJYBPG-INIZCTEOSA-N	1	0	356.536	1.911	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC2CC[NH+](CCc3ccncc3)CC2)o1	ZINC000376274379	678259699	/nfs/dbraw/zinc/25/96/99/678259699.db2.gz	LGNDVRVAHJZSLM-UHFFFAOYSA-N	1	0	360.439	1.532	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000377294240	678509784	/nfs/dbraw/zinc/50/97/84/678509784.db2.gz	AAKBCNBDGQKQAG-FGTMMUONSA-N	1	0	363.483	1.572	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)Cc3ccc(C#N)cc3)C2)CC1	ZINC000377333203	678520422	/nfs/dbraw/zinc/52/04/22/678520422.db2.gz	BYWKSQMZHZVTHX-GOSISDBHSA-N	1	0	362.499	1.100	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1	ZINC000377673851	678588715	/nfs/dbraw/zinc/58/87/15/678588715.db2.gz	JBOWMOFOLIKLBL-GOEBONIOSA-N	1	0	350.850	1.687	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1	ZINC000378009384	678671125	/nfs/dbraw/zinc/67/11/25/678671125.db2.gz	IMPGZDREKUXGLN-RYUDHWBXSA-N	1	0	370.272	1.551	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]C[C@]1(N2CCOCC2)CCCOC1	ZINC000378155762	678706267	/nfs/dbraw/zinc/70/62/67/678706267.db2.gz	SKZXDSVTNJLYQG-PKOBYXMFSA-N	1	0	353.507	1.271	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1ccc(OCC[NH+](C)C)cc1	ZINC000409545951	678857745	/nfs/dbraw/zinc/85/77/45/678857745.db2.gz	BDUBOJUOLPRPML-HNNXBMFYSA-N	1	0	368.503	1.443	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1	ZINC000409564069	678861061	/nfs/dbraw/zinc/86/10/61/678861061.db2.gz	VTEFHHRWUHKNMW-HNNXBMFYSA-N	1	0	370.494	1.916	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1	ZINC000409569249	678862073	/nfs/dbraw/zinc/86/20/73/678862073.db2.gz	DHPKIWLQWLEEMY-NVXWUHKLSA-N	1	0	350.488	1.892	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1	ZINC000410138156	678882817	/nfs/dbraw/zinc/88/28/17/678882817.db2.gz	CWSWSTJDGFACRC-IXDOHACOSA-N	1	0	370.519	1.042	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC(OCC[NH+]2CCCC2)CC1	ZINC000410155045	678887436	/nfs/dbraw/zinc/88/74/36/678887436.db2.gz	QQOOIYYUUNNEEL-INIZCTEOSA-N	1	0	372.535	1.290	20	30		FDEDRO
C=C(C)CN(C)C(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000410441391	678899856	/nfs/dbraw/zinc/89/98/56/678899856.db2.gz	YIMRJHZSOVCDQI-CALCHBBNSA-N	1	0	350.507	1.038	20	30		FDEDRO
CCN(CCC#N)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1	ZINC000411393218	679027134	/nfs/dbraw/zinc/02/71/34/679027134.db2.gz	RBNRKUWTKXQHFV-UHFFFAOYSA-N	1	0	350.394	1.467	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCSC[C@@H](C(=O)OC)C1	ZINC000412101394	679156390	/nfs/dbraw/zinc/15/63/90/679156390.db2.gz	WVTRGCMFOIWKRP-IRXDYDNUSA-N	1	0	365.495	1.993	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCSC[C@@H](C(=O)OC)C2)CC1	ZINC000413245521	679248561	/nfs/dbraw/zinc/24/85/61/679248561.db2.gz	SENUOBFLFWHOLS-AWEZNQCLSA-N	1	0	355.504	1.575	20	30		FDEDRO
C=CCC(C)(C)CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1	ZINC000413572398	679281603	/nfs/dbraw/zinc/28/16/03/679281603.db2.gz	IFQVOZXSBYIMGP-UHFFFAOYSA-N	1	0	352.523	1.685	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC[NH2+]C2(C)C)cc1	ZINC000414888776	679372588	/nfs/dbraw/zinc/37/25/88/679372588.db2.gz	FMJSZXKHXKZMFH-OAHLLOKOSA-N	1	0	366.487	1.755	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@](C)(C[NH3+])C2)cc1	ZINC000414896127	679373174	/nfs/dbraw/zinc/37/31/74/679373174.db2.gz	OIZJOSWZPIFZTQ-QGZVFWFLSA-N	1	0	366.487	1.696	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)cc1Br	ZINC000415262213	679397363	/nfs/dbraw/zinc/39/73/63/679397363.db2.gz	FPXYOLALZXDVAO-SNVBAGLBSA-N	1	0	351.204	1.209	20	30		FDEDRO
C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1	ZINC000415354718	679412915	/nfs/dbraw/zinc/41/29/15/679412915.db2.gz	FEENQCKAOGKTJM-LBPRGKRZSA-N	1	0	365.231	1.470	20	30		FDEDRO
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NC[C@H]2CCC[NH2+]C2)n1	ZINC000415442323	679431743	/nfs/dbraw/zinc/43/17/43/679431743.db2.gz	FNFJSIKYIOVEJU-LBPRGKRZSA-N	1	0	358.833	2.518	20	30		FDEDRO
C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000415510386	679441656	/nfs/dbraw/zinc/44/16/56/679441656.db2.gz	KILUWFHAYGGJEC-VIFPVBQESA-N	1	0	358.320	1.149	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1	ZINC000415594036	679460682	/nfs/dbraw/zinc/46/06/82/679460682.db2.gz	FYJWQMDMGTYDRB-JHJVBQTASA-N	1	0	350.444	1.586	20	30		FDEDRO
COC[C@@]1(CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CCC[NH2+]1	ZINC000415701628	679481965	/nfs/dbraw/zinc/48/19/65/679481965.db2.gz	BYGAITFEEXOSAN-INIZCTEOSA-N	1	0	350.806	1.035	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c(Cl)c1	ZINC000415758594	679493965	/nfs/dbraw/zinc/49/39/65/679493965.db2.gz	HRZRWPNLOCXJEQ-AWEZNQCLSA-N	1	0	360.845	1.998	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)ccc1Cl	ZINC000415768206	679496152	/nfs/dbraw/zinc/49/61/52/679496152.db2.gz	VKNWCSDSIMKYGB-CYBMUJFWSA-N	1	0	360.845	1.998	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1	ZINC000415820084	679514373	/nfs/dbraw/zinc/51/43/73/679514373.db2.gz	KJLTTYOMPATXJM-KGLIPLIRSA-N	1	0	360.845	1.998	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NCCC[NH2+]C2CC2)c1	ZINC000415863696	679529252	/nfs/dbraw/zinc/52/92/52/679529252.db2.gz	VIRKDYYITLEGRG-UHFFFAOYSA-N	1	0	352.341	1.356	20	30		FDEDRO
CC[NH+](CC)CCOc1ccc(CNS(=O)(=O)[C@H](C)C#N)cc1OC	ZINC000416365226	679584777	/nfs/dbraw/zinc/58/47/77/679584777.db2.gz	ARZFSYINNNHQCB-CQSZACIVSA-N	1	0	369.487	1.747	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccc(CNS(=O)(=O)[C@@H](C)C#N)cc2)CC1	ZINC000416370359	679588621	/nfs/dbraw/zinc/58/86/21/679588621.db2.gz	JYRRSOWZRJYMJW-HNNXBMFYSA-N	1	0	350.488	1.156	20	30		FDEDRO
C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@]1(COC)CCC[NH2+]1	ZINC000418658893	680105460	/nfs/dbraw/zinc/10/54/60/680105460.db2.gz	UQUSDKWJAHXBJB-GOSISDBHSA-N	1	0	351.447	1.628	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1	ZINC000418927762	680154685	/nfs/dbraw/zinc/15/46/85/680154685.db2.gz	UALLUEZATNRWAW-MRXNPFEDSA-N	1	0	360.483	1.166	20	30		FDEDRO
N#Cc1nc(NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1C(F)(F)F	ZINC000420240733	680421944	/nfs/dbraw/zinc/42/19/44/680421944.db2.gz	KPUIREKRDKCFCN-NSHDSACASA-N	1	0	367.297	2.220	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)NCC1=CC[NH2+]CC1	ZINC000420435491	680449456	/nfs/dbraw/zinc/44/94/56/680449456.db2.gz	MGNJINNRCKAATQ-UHFFFAOYSA-N	1	0	356.245	1.519	20	30		FDEDRO
C[C@]1(C[NH3+])CCN(S(=O)(=O)c2cccc(Br)c2C#N)C1	ZINC000420442392	680453222	/nfs/dbraw/zinc/45/32/22/680453222.db2.gz	YKFOFHWHRSHEQB-CYBMUJFWSA-N	1	0	358.261	1.680	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2	ZINC000420453331	680459660	/nfs/dbraw/zinc/45/96/60/680459660.db2.gz	BVOOUBKTXLMCBY-OAHLLOKOSA-N	1	0	368.528	1.782	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c1	ZINC000420462414	680464723	/nfs/dbraw/zinc/46/47/23/680464723.db2.gz	HMSBGVIICCBFEJ-ZFWWWQNUSA-N	1	0	351.472	1.398	20	30		FDEDRO
C[NH+](C)CCOC1CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1	ZINC000474115221	685369442	/nfs/dbraw/zinc/36/94/42/685369442.db2.gz	IQKIKJQEGQQSDB-UHFFFAOYSA-N	1	0	351.472	1.431	20	30		FDEDRO
C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCc1ccc(C#N)s1	ZINC000421247640	680632149	/nfs/dbraw/zinc/63/21/49/680632149.db2.gz	PNMAAJCEANVKIB-UHFFFAOYSA-N	1	0	356.451	1.979	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1	ZINC000425208672	680884936	/nfs/dbraw/zinc/88/49/36/680884936.db2.gz	SPAPKWOQZRAHJJ-RYQLBKOJSA-N	1	0	362.499	1.529	20	30		FDEDRO
C=CC[N@@H+](C)CCN(CC)[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000429725062	681046169	/nfs/dbraw/zinc/04/61/69/681046169.db2.gz	RGTNAZOTHMURTQ-AWEZNQCLSA-N	1	0	368.503	1.101	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)CC(=O)N1CCC(C(=O)OCC)CC1	ZINC000449548868	682684901	/nfs/dbraw/zinc/68/49/01/682684901.db2.gz	RLJOFEFTZVCTLB-UAGQMJEPSA-N	1	0	352.475	1.890	20	30		FDEDRO
C[NH+](C)[C@H]1CCN(C(=O)COc2ccc(C#N)c(Br)c2)C1	ZINC000449838886	682717357	/nfs/dbraw/zinc/71/73/57/682717357.db2.gz	JKWVIOUWKQCKCX-LBPRGKRZSA-N	1	0	352.232	1.862	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)CC(C)(C)CC#N	ZINC000451147767	682827842	/nfs/dbraw/zinc/82/78/42/682827842.db2.gz	SLGRUTBBJAXMHO-INIZCTEOSA-N	1	0	358.552	1.604	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)CC2(CC#N)CC2)[C@H](C)C1	ZINC000451207057	682840600	/nfs/dbraw/zinc/84/06/00/682840600.db2.gz	ITBJXFITZUVREG-CVEARBPZSA-N	1	0	357.520	1.737	20	30		FDEDRO
COC[C@]1(C(=O)OC)CC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1	ZINC000451332889	682863021	/nfs/dbraw/zinc/86/30/21/682863021.db2.gz	XFILWMQXPYKRAE-YOEHRIQHSA-N	1	0	351.447	1.229	20	30		FDEDRO
CO[C@]1(C)C[C@@H]([NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1(C)C	ZINC000451483019	682887183	/nfs/dbraw/zinc/88/71/83/682887183.db2.gz	DQDHLEAFNMHCNP-FRQCXROJSA-N	1	0	350.507	1.472	20	30		FDEDRO
CO[C@@H]1[C@H](C)[C@H]([NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1(C)C	ZINC000451491793	682888179	/nfs/dbraw/zinc/88/81/79/682888179.db2.gz	CCKHFDCWXAMTDX-MXSMSXNCSA-N	1	0	350.507	1.328	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1)[N@@H+]1CCCC[C@H]1C	ZINC000453598004	683168243	/nfs/dbraw/zinc/16/82/43/683168243.db2.gz	KZRJTPFTBBOVMB-VXGBXAGGSA-N	1	0	363.849	1.924	20	30		FDEDRO
C[C@H](CCNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1)[NH+]1CCCCC1	ZINC000453687694	683186609	/nfs/dbraw/zinc/18/66/09/683186609.db2.gz	KWTXJQRTLCHLDS-GFCCVEGCSA-N	1	0	363.849	1.926	20	30		FDEDRO
C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cnc(C#N)c(Cl)c2)C1	ZINC000453711892	683193262	/nfs/dbraw/zinc/19/32/62/683193262.db2.gz	GTFSZUHDJZJARH-NHYWBVRUSA-N	1	0	361.833	1.488	20	30		FDEDRO
C[NH+](C)C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CCO1	ZINC000453717588	683194253	/nfs/dbraw/zinc/19/42/53/683194253.db2.gz	JRCHSQYUGXWJOK-CYBMUJFWSA-N	1	0	364.833	1.134	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN(CCO)C[C@@H]1C)C(C)C	ZINC000457744624	683783453	/nfs/dbraw/zinc/78/34/53/683783453.db2.gz	KSYMHDBZZVOWCZ-ROUUACIJSA-N	1	0	352.523	1.393	20	30		FDEDRO
C=CCC[C@@H](CO)NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1	ZINC000458484107	684272858	/nfs/dbraw/zinc/27/28/58/684272858.db2.gz	UKFHLHZZHBZAFY-KRWDZBQOSA-N	1	0	352.523	1.563	20	30		FDEDRO
CN(C)S(=O)(=O)NCC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F	ZINC000459543710	684422934	/nfs/dbraw/zinc/42/29/34/684422934.db2.gz	YIURLIPJPQYZAN-UHFFFAOYSA-N	1	0	350.366	1.063	20	30		FDEDRO
COCCNS(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)cc1	ZINC000463287627	684682239	/nfs/dbraw/zinc/68/22/39/684682239.db2.gz	JRQJEFXBACTYOC-HOTGVXAUSA-N	1	0	351.472	1.783	20	30		FDEDRO
COCCNS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1	ZINC000463287629	684682281	/nfs/dbraw/zinc/68/22/81/684682281.db2.gz	JRQJEFXBACTYOC-JKSUJKDBSA-N	1	0	351.472	1.783	20	30		FDEDRO
C[NH+](C)CCCN(C(=O)Cc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000467645161	684870615	/nfs/dbraw/zinc/87/06/15/684870615.db2.gz	GGNQBNYMXZRWAX-KRWDZBQOSA-N	1	0	363.483	1.068	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C1CN(CC(F)F)C1	ZINC000469556948	684976099	/nfs/dbraw/zinc/97/60/99/684976099.db2.gz	RPOZDUAZPIALPN-UHFFFAOYSA-N	1	0	350.413	1.645	20	30		FDEDRO
CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCC2)c1	ZINC000469793602	684986621	/nfs/dbraw/zinc/98/66/21/684986621.db2.gz	HJPZOGBOUNPVLV-CHWSQXEVSA-N	1	0	364.471	1.196	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCCC2)C1	ZINC000472109416	685176378	/nfs/dbraw/zinc/17/63/78/685176378.db2.gz	ZDCUHXDXDJIRKM-CYBMUJFWSA-N	1	0	364.427	1.715	20	30		FDEDRO
CC(C)(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C[NH+]1CCCC1	ZINC000480790947	686229047	/nfs/dbraw/zinc/22/90/47/686229047.db2.gz	WYUXEQUCEJPKBI-UHFFFAOYSA-N	1	0	366.443	1.867	20	30		FDEDRO
Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC(C)(C#N)CC1	ZINC000480873912	686244991	/nfs/dbraw/zinc/24/49/91/686244991.db2.gz	XHQFBXBNDPIIHY-UHFFFAOYSA-N	1	0	353.492	1.376	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](CC2CCC2)[C@H](C)CO)CC1	ZINC000483140696	686471143	/nfs/dbraw/zinc/47/11/43/686471143.db2.gz	FYFFEEAQVPGMKJ-AEFFLSMTSA-N	1	0	350.507	1.162	20	30		FDEDRO
C[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000488807989	687060644	/nfs/dbraw/zinc/06/06/44/687060644.db2.gz	PVXNJHSKTBNQPE-BZUAXINKSA-N	1	0	362.499	1.160	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCC[N@@H+](C)CCCC)cc1	ZINC000488962122	687069638	/nfs/dbraw/zinc/06/96/38/687069638.db2.gz	MKPZVMWDFXMGOG-UHFFFAOYSA-N	1	0	353.488	1.613	20	30		FDEDRO
COCCC[N@H+](CCCC1(C#N)CCOCC1)[C@H]1CCS(=O)(=O)C1	ZINC000499535146	687964290	/nfs/dbraw/zinc/96/42/90/687964290.db2.gz	ZWPCPWWBIGZWQT-INIZCTEOSA-N	1	0	358.504	1.613	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(CCC[NH+]2CCOCC2)CC1	ZINC000509221991	689246222	/nfs/dbraw/zinc/24/62/22/689246222.db2.gz	FIBCLOOECMIATJ-MRXNPFEDSA-N	1	0	372.535	1.290	20	30		FDEDRO
CCCN(CC[NH+]1CCCCC1)S(=O)(=O)N(CCC#N)CCOC	ZINC000510469300	689383211	/nfs/dbraw/zinc/38/32/11/689383211.db2.gz	MHOQWOCGLXPFAT-UHFFFAOYSA-N	1	0	360.524	1.291	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1CCN(Cc2ccc(Cl)cc2C)CC1	ZINC000511137410	689474705	/nfs/dbraw/zinc/47/47/05/689474705.db2.gz	MKARKUBMVKQKLT-UHFFFAOYSA-N	1	0	364.877	1.778	20	30		FDEDRO
N#Cc1cccc(CNC(=O)CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1	ZINC000511664259	689550257	/nfs/dbraw/zinc/55/02/57/689550257.db2.gz	OCTIACMKATXLSE-GJZGRUSLSA-N	1	0	355.360	1.667	20	30		FDEDRO
CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1cnc2ccc(C#N)cn12	ZINC000512860001	689644559	/nfs/dbraw/zinc/64/45/59/689644559.db2.gz	FZRHDFBGWKLWPZ-HOCLYGCPSA-N	1	0	361.471	1.404	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C[NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1	ZINC000515233357	689831287	/nfs/dbraw/zinc/83/12/87/689831287.db2.gz	CSOWBQMMIXUISO-HOCLYGCPSA-N	1	0	368.503	1.360	20	30		FDEDRO
C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000516290961	689939500	/nfs/dbraw/zinc/93/95/00/689939500.db2.gz	DDJCXFBAYXBAEE-RYUDHWBXSA-N	1	0	355.360	1.415	20	30		FDEDRO
C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000516290960	689939617	/nfs/dbraw/zinc/93/96/17/689939617.db2.gz	DDJCXFBAYXBAEE-NWDGAFQWSA-N	1	0	355.360	1.415	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000517776965	690095743	/nfs/dbraw/zinc/09/57/43/690095743.db2.gz	VBIHAYAIUWBLEM-SJORKVTESA-N	1	0	351.491	1.295	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCCCS1(=O)=O	ZINC000519819331	690275385	/nfs/dbraw/zinc/27/53/85/690275385.db2.gz	CITXQHXKTCGWBG-IAGOWNOFSA-N	1	0	353.484	1.712	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]CCc1cc(Cl)c2c(c1)OCCO2	ZINC000520759541	690353909	/nfs/dbraw/zinc/35/39/09/690353909.db2.gz	GVLGXBOEZWXFOU-AWEZNQCLSA-N	1	0	353.850	1.450	20	30		FDEDRO
COC(=O)c1csc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1	ZINC000525875929	694638140	/nfs/dbraw/zinc/63/81/40/694638140.db2.gz	RMTNSCILBOQUJY-UHFFFAOYSA-N	1	0	366.443	1.167	20	30		FDEDRO
C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000526941716	694646356	/nfs/dbraw/zinc/64/63/56/694646356.db2.gz	RTDRYIZPJAUACL-LBPRGKRZSA-N	1	0	361.471	1.893	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1	ZINC000528404285	694715526	/nfs/dbraw/zinc/71/55/26/694715526.db2.gz	ICRCVVJKIACEAL-GDBMZVCRSA-N	1	0	358.360	1.933	20	30		FDEDRO
CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)cc2F)CC1	ZINC000531094864	694819843	/nfs/dbraw/zinc/81/98/43/694819843.db2.gz	CFMUKQCOLAXRKU-UHFFFAOYSA-N	1	0	369.462	1.865	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[NH2+]C[C@@H]2C(C)C)cc1	ZINC000638482800	695362522	/nfs/dbraw/zinc/36/25/22/695362522.db2.gz	CVKZNGDGAIKEFD-MRXNPFEDSA-N	1	0	351.472	1.221	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N=c2[nH]n(C)cc2Br)CC1	ZINC000640328502	695567320	/nfs/dbraw/zinc/56/73/20/695567320.db2.gz	YKNHUVXATVGVGD-UHFFFAOYSA-N	1	0	356.268	1.767	20	30		FDEDRO
COc1cc(C(F)(F)N2CCO[C@@H]3C[NH2+]CC[C@H]3C2)c(C#N)c(Cl)n1	ZINC001164405436	718863255	/nfs/dbraw/zinc/86/32/55/718863255.db2.gz	RWXGLPXFUWASRL-GXFFZTMASA-N	1	0	372.803	1.975	20	30		FDEDRO
CCOC(=O)C1CC[NH+](C2CCN(c3cncc(CC#N)n3)CC2)CC1	ZINC001164616312	719030932	/nfs/dbraw/zinc/03/09/32/719030932.db2.gz	ADNYHJHYAUXOPR-UHFFFAOYSA-N	1	0	357.458	1.787	20	30		FDEDRO
Cc1nc(C#N)cnc1N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1	ZINC001164813928	720232268	/nfs/dbraw/zinc/23/22/68/720232268.db2.gz	RUHKPDDZYRXCBG-UHFFFAOYSA-N	1	0	367.457	1.464	20	30		FDEDRO
N#Cc1ncc(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164739101	720647451	/nfs/dbraw/zinc/64/74/51/720647451.db2.gz	FDGILDXVSUDBRB-RYUDHWBXSA-N	1	0	357.805	1.134	20	30		FDEDRO
COc1cc(C#N)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1	ZINC001164739628	720706665	/nfs/dbraw/zinc/70/66/65/720706665.db2.gz	OIUOQOICKZSKHY-GOEBONIOSA-N	1	0	352.398	1.094	20	30		FDEDRO
Cc1nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)ccc1CC#N	ZINC001164739022	720773692	/nfs/dbraw/zinc/77/36/92/720773692.db2.gz	HQGJXOMOIICMHA-DLBZAZTESA-N	1	0	350.426	1.588	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3nnc(Cl)cc3C#N)CC[C@@H]2C1	ZINC001164856569	720843422	/nfs/dbraw/zinc/84/34/22/720843422.db2.gz	WVOVCDBOKBJCHI-TZMCWYRMSA-N	1	0	351.838	1.175	20	30		FDEDRO
N#Cc1cnc(Cl)nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164871459	721063211	/nfs/dbraw/zinc/06/32/11/721063211.db2.gz	YXRPKLHBRGHZFX-HZPDHXFCSA-N	1	0	370.844	1.876	20	30		FDEDRO
N#CCc1cncc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1	ZINC001164869712	721127265	/nfs/dbraw/zinc/12/72/65/721127265.db2.gz	ACPXCEYGMLHORE-QZTJIDSGSA-N	1	0	350.426	1.417	20	30		FDEDRO
Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncc5c(C#N)c[nH]c5n4)C[C@H]3C2)cn1	ZINC001164762543	721175463	/nfs/dbraw/zinc/17/54/63/721175463.db2.gz	CSUJJNPJOXUHBS-GDBMZVCRSA-N	1	0	362.441	1.521	20	30		FDEDRO
Cc1ncc(C#N)c(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1	ZINC001164888879	721401937	/nfs/dbraw/zinc/40/19/37/721401937.db2.gz	PBMIRTPRARESJA-ICSRJNTNSA-N	1	0	370.501	1.422	20	30		FDEDRO
Cc1cc(C#N)cc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)n1	ZINC001164795363	721521358	/nfs/dbraw/zinc/52/13/58/721521358.db2.gz	NLWAYXVDRXFVKE-UHFFFAOYSA-N	1	0	351.458	1.226	20	30		FDEDRO
Cc1ncc(C#N)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1	ZINC001164982496	722109931	/nfs/dbraw/zinc/10/99/31/722109931.db2.gz	WSIIGMGHTYHGSZ-HKUYNNGSSA-N	1	0	364.453	1.779	20	30		FDEDRO
Cc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(C#N)n1	ZINC001164976356	722124466	/nfs/dbraw/zinc/12/44/66/722124466.db2.gz	LJHANEVTOLMKAA-ZWKOTPCHSA-N	1	0	364.453	1.779	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)Cc2cnoc2)C1=O	ZINC001087203680	782236251	/nfs/dbraw/zinc/23/62/51/782236251.db2.gz	LKXQZRSVNSERKJ-HYVNUMGLSA-N	1	0	360.458	1.221	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)Oc1cccnc1)C2	ZINC001112527759	805580046	/nfs/dbraw/zinc/58/00/46/805580046.db2.gz	UNAIUYZUDCKMTO-WFXMLNOXSA-N	1	0	371.481	1.717	20	30		FDEDRO
C[NH2+]Cc1ccccc1CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC000892226720	782348350	/nfs/dbraw/zinc/34/83/50/782348350.db2.gz	IXBGEIFAMJKOBG-UHFFFAOYSA-N	1	0	364.453	1.704	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cc3n(n2)CCCO3)C[C@H]1C	ZINC001104408083	782383899	/nfs/dbraw/zinc/38/38/99/782383899.db2.gz	ZQPSBFLFLIBFSR-HZPDHXFCSA-N	1	0	362.474	1.556	20	30		FDEDRO
COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCN(CCC#N)CC2)cc1	ZINC000892257811	782607398	/nfs/dbraw/zinc/60/73/98/782607398.db2.gz	SQWCJLPITNERAC-OALUTQOASA-N	1	0	371.485	1.382	20	30		FDEDRO
CC#CCCNC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1	ZINC000784901985	769015136	/nfs/dbraw/zinc/01/51/36/769015136.db2.gz	JHDNPBMQFSPJMY-UHFFFAOYSA-N	1	0	374.460	1.824	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)CC)C[C@H]1C	ZINC001104223105	769035511	/nfs/dbraw/zinc/03/55/11/769035511.db2.gz	NDPNXXMNFFTRGV-OWCLPIDISA-N	1	0	359.536	1.355	20	30		FDEDRO
Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1	ZINC001022734462	782769058	/nfs/dbraw/zinc/76/90/58/782769058.db2.gz	YPHXDYJACJCANP-YYIAUSFCSA-N	1	0	367.428	1.971	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H]1C	ZINC001020446077	769759317	/nfs/dbraw/zinc/75/93/17/769759317.db2.gz	OZINFFQMWOPOKW-GJJHYRHESA-N	1	0	367.493	1.656	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1ccc(=O)[nH]c1)C2	ZINC001112475261	769818694	/nfs/dbraw/zinc/81/86/94/769818694.db2.gz	VFBMMQQHDDXHQU-PXNSSMCTSA-N	1	0	359.470	1.751	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CCC(C)C)NC(C)=O)C1	ZINC001211495682	769879086	/nfs/dbraw/zinc/87/90/86/769879086.db2.gz	SOOFTHCLLNUMBQ-BPQIPLTHSA-N	1	0	353.507	1.566	20	30		FDEDRO
C[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1NC(=O)CC[C@]1(C)CCC(=O)N1	ZINC001211499877	769953815	/nfs/dbraw/zinc/95/38/15/769953815.db2.gz	VNBHUZCUHOKBKX-FQELHTAISA-N	1	0	368.481	1.944	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cccc3nsnc32)C1	ZINC001211499897	769954749	/nfs/dbraw/zinc/95/47/49/769954749.db2.gz	VYCSXTLSEYTNMZ-CZUORRHYSA-N	1	0	358.467	1.320	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCn2c(C)csc2=O)C1	ZINC001022737145	782800298	/nfs/dbraw/zinc/80/02/98/782800298.db2.gz	QVRNRDSKGFTIJQ-BARDWOONSA-N	1	0	351.472	1.046	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCSC3(CC(C(=O)OC)C3)C2)CC1	ZINC000890605810	770322327	/nfs/dbraw/zinc/32/23/27/770322327.db2.gz	KHLGHMDGIWAFKH-KOHRHEQBSA-N	1	0	364.511	1.665	20	30		FDEDRO
C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000288346663	782864507	/nfs/dbraw/zinc/86/45/07/782864507.db2.gz	YYXJSXRIRJIXGB-PBHICJAKSA-N	1	0	352.438	1.533	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1c1ccccc1	ZINC001211545912	782866024	/nfs/dbraw/zinc/86/60/24/782866024.db2.gz	MXCNAEAVXAQRJT-DLBZAZTESA-N	1	0	350.484	1.581	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(N4CCCC4)ncn3)[C@H]2C1	ZINC001083193537	771099705	/nfs/dbraw/zinc/09/97/05/771099705.db2.gz	WNJVBXSPGYDOQQ-ZWKOTPCHSA-N	1	0	371.485	1.568	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C(N)=O)c2)C1	ZINC001020715345	771290452	/nfs/dbraw/zinc/29/04/52/771290452.db2.gz	GYGMWYHXDPGXEO-VJANTYMQSA-N	1	0	371.481	1.894	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NC)cc2)C1	ZINC001020726353	771303826	/nfs/dbraw/zinc/30/38/26/771303826.db2.gz	GWWPSHNLFRDXNC-VJANTYMQSA-N	1	0	371.481	1.764	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCn2c(C)csc2=O)C1	ZINC001020728353	771306939	/nfs/dbraw/zinc/30/69/39/771306939.db2.gz	UENZTBJGYFRQHV-VGWMRTNUSA-N	1	0	365.499	1.436	20	30		FDEDRO
CCn1ncc(Cl)c1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C1	ZINC001104234784	771451165	/nfs/dbraw/zinc/45/11/65/771451165.db2.gz	NQNPRQUERNMQGY-HUUCEWRRSA-N	1	0	366.893	1.894	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](O)COCCOC)C1	ZINC001104239709	771607419	/nfs/dbraw/zinc/60/74/19/771607419.db2.gz	LYDVEIAVCRSYKL-KZNAEPCWSA-N	1	0	370.534	1.687	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NCC)C1	ZINC001104245773	771778990	/nfs/dbraw/zinc/77/89/90/771778990.db2.gz	ZZDSNTJTGNTPPN-HUUCEWRRSA-N	1	0	352.479	1.263	20	30		FDEDRO
N#Cc1ccccc1C[NH2+]CC1(CCNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1	ZINC001167254311	771809419	/nfs/dbraw/zinc/80/94/19/771809419.db2.gz	DGTZQFCXHCCOSK-CVEARBPZSA-N	1	0	368.481	1.836	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](Cc2nccn2C)C1	ZINC000430406676	771813916	/nfs/dbraw/zinc/81/39/16/771813916.db2.gz	MKSYVHKEXVTSEN-JZXOWHBKSA-N	1	0	374.485	1.299	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1	ZINC000430417516	771872427	/nfs/dbraw/zinc/87/24/27/771872427.db2.gz	VAAPLAFWVIBBFW-BZSNNMDCSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]CC1(CCNC(=O)[C@H]2CC[C@@H](C)O2)CC1	ZINC001167289654	772049917	/nfs/dbraw/zinc/04/99/17/772049917.db2.gz	XIBJPULKVABDDA-IAGOWNOFSA-N	1	0	363.502	1.631	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CC3(CCC3)C1)C2	ZINC001112512673	782985257	/nfs/dbraw/zinc/98/52/57/782985257.db2.gz	NRPFGTMJLWWMRY-NRJQMVOHSA-N	1	0	371.525	1.923	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCn2c(C)csc2=O)C1	ZINC000970241485	772162018	/nfs/dbraw/zinc/16/20/18/772162018.db2.gz	LFLXESSVTPZCIY-PMPSAXMXSA-N	1	0	365.499	1.390	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CCC)C[C@@H]2O)CC1	ZINC000970335274	772386628	/nfs/dbraw/zinc/38/66/28/772386628.db2.gz	JIFFPQUKPKLDDW-KURKYZTESA-N	1	0	363.502	1.295	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1C	ZINC001104258051	772468422	/nfs/dbraw/zinc/46/84/22/772468422.db2.gz	QMWAHLWQQZAAFR-BZUAXINKSA-N	1	0	359.536	1.307	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1	ZINC001104261010	772516761	/nfs/dbraw/zinc/51/67/61/772516761.db2.gz	HGKGTOOZIASFHT-ATZDWAIDSA-N	1	0	368.481	1.611	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1	ZINC001104261203	772518264	/nfs/dbraw/zinc/51/82/64/772518264.db2.gz	MORCYWSMOHNNJI-LZQZEXGQSA-N	1	0	368.481	1.611	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1	ZINC001021239797	772598781	/nfs/dbraw/zinc/59/87/81/772598781.db2.gz	CBMGLKAJPAWBNS-RRFJBIMHSA-N	1	0	353.894	1.919	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ccc3nonc3c2)C1	ZINC000970448068	772679384	/nfs/dbraw/zinc/67/93/84/772679384.db2.gz	UYWOSNAEPGVWME-PNPHSEOMSA-N	1	0	356.426	1.750	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(CCOC)CC2)C[C@H]1C	ZINC001104276820	772731494	/nfs/dbraw/zinc/73/14/94/772731494.db2.gz	MWIQDLJKXOYWRC-BRWVUGGUSA-N	1	0	365.518	1.568	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]C[C@@H]3CCOC3)C2)CCOCC1	ZINC001104279950	772757478	/nfs/dbraw/zinc/75/74/78/772757478.db2.gz	WOJWIMFHZHHSBS-CEXWTWQISA-N	1	0	362.514	1.917	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)COC)C[C@H]1C	ZINC001104418547	783055044	/nfs/dbraw/zinc/05/50/44/783055044.db2.gz	SWFQXJIJTDCSPK-OWCLPIDISA-N	1	0	353.507	1.424	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCCN2CCCC2=O)C1	ZINC000970561594	772955796	/nfs/dbraw/zinc/95/57/96/772955796.db2.gz	ZKEVZFQEEFMHNR-AYBZRNKSSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@@H](OCC)C(C)C)C[C@H]1C	ZINC001104287996	773076009	/nfs/dbraw/zinc/07/60/09/773076009.db2.gz	PCHGPHAUMHIEPY-KZNAEPCWSA-N	1	0	365.518	1.261	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCCS2(=O)=O)C[C@H]1C	ZINC001104288016	773080200	/nfs/dbraw/zinc/08/02/00/773080200.db2.gz	QGCFPMMGZIMNEE-BPLDGKMQSA-N	1	0	362.923	1.780	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H](O)[C@@H](O)c2nc3ccccc3[nH]2)CC1	ZINC000275714112	773265585	/nfs/dbraw/zinc/26/55/85/773265585.db2.gz	RCZXKPFJTCBVPS-IAGOWNOFSA-N	1	0	358.442	1.114	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC#C[C@H]1CCCCO1	ZINC000891111521	773293142	/nfs/dbraw/zinc/29/31/42/773293142.db2.gz	AUWISEPXNFFHIA-HZPDHXFCSA-N	1	0	367.490	1.520	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1	ZINC000656027227	773314595	/nfs/dbraw/zinc/31/45/95/773314595.db2.gz	XLYCUPHYJMLYHA-SJORKVTESA-N	1	0	351.491	1.594	20	30		FDEDRO
CCC(=O)Nc1ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc1	ZINC000275735338	773448944	/nfs/dbraw/zinc/44/89/44/773448944.db2.gz	AMLQVWPRPIXWHJ-UHFFFAOYSA-N	1	0	373.457	1.668	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC3COC3)cc2)CC1	ZINC000275752455	773599482	/nfs/dbraw/zinc/59/94/82/773599482.db2.gz	XYIRGZDMAFXYKS-UHFFFAOYSA-N	1	0	359.426	1.169	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)CCC1	ZINC000275788500	773733445	/nfs/dbraw/zinc/73/34/45/773733445.db2.gz	HEASVTNPDKNCKJ-UHFFFAOYSA-N	1	0	358.442	1.908	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(F)c(F)c2)C[C@H]1C	ZINC001104292019	773849302	/nfs/dbraw/zinc/84/93/02/773849302.db2.gz	GBYISBJADPWBDC-UKRRQHHQSA-N	1	0	365.424	1.955	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)c2nnnn2C)C1	ZINC001104293906	773876165	/nfs/dbraw/zinc/87/61/65/773876165.db2.gz	LKQWXMDDQPWILO-BZUAXINKSA-N	1	0	371.489	1.647	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CCCS1(=O)=O)C2	ZINC001112494336	773935747	/nfs/dbraw/zinc/93/57/47/773935747.db2.gz	PVOVZQGDQHHXOC-BQFCYCMXSA-N	1	0	352.500	1.195	20	30		FDEDRO
COC(=O)c1ccc(N(Cc2ccccc2)C2(C[NH3+])COC2)c(C#N)n1	ZINC001167374558	773981716	/nfs/dbraw/zinc/98/17/16/773981716.db2.gz	LEQOHPYTMWLYCN-UHFFFAOYSA-N	1	0	352.394	1.474	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC1([NH+](C)C)CCC1	ZINC000275850438	774142590	/nfs/dbraw/zinc/14/25/90/774142590.db2.gz	HZNQJKCKPYTEIH-UHFFFAOYSA-N	1	0	354.458	1.751	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4[nH]c(=O)[nH]c4c3)[C@H]2C1	ZINC001083209273	774255930	/nfs/dbraw/zinc/25/59/30/774255930.db2.gz	YYXGRRLELDJRPR-DLBZAZTESA-N	1	0	356.426	1.760	20	30		FDEDRO
Cc1ccc(NC(=O)C(=O)N(C)[C@H](C)CC#N)cc1NC(=O)CC[NH+](C)C	ZINC000275879282	774300971	/nfs/dbraw/zinc/30/09/71/774300971.db2.gz	FPIGBGSXUVWNOH-CQSZACIVSA-N	1	0	373.457	1.584	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCN2c2ncccn2)C[C@H]1C	ZINC001104314136	774695621	/nfs/dbraw/zinc/69/56/21/774695621.db2.gz	GRZKIZJZXWNXAU-KURKYZTESA-N	1	0	355.486	1.543	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1	ZINC001021710453	774742181	/nfs/dbraw/zinc/74/21/81/774742181.db2.gz	LOHWUGLGYAZDGL-FUHWJXTLSA-N	1	0	356.470	1.443	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(OCC#N)c2)[C@@H](C)C1	ZINC000276053474	775550738	/nfs/dbraw/zinc/55/07/38/775550738.db2.gz	MZZCZLVHDZYYCH-YOEHRIQHSA-N	1	0	358.442	1.716	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]32)CC[N@@H+]1C	ZINC001021806628	775788080	/nfs/dbraw/zinc/78/80/80/775788080.db2.gz	WWJCDSOTDRQILF-VIBAHUMZSA-N	1	0	369.469	1.290	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)COCc2cc(C)no2)C[C@H]1C	ZINC001104340618	775868846	/nfs/dbraw/zinc/86/88/46/775868846.db2.gz	NLKOFOKEIPFMDP-NVXWUHKLSA-N	1	0	365.474	1.776	20	30		FDEDRO
C[C@@H]1CCN(C(=O)CN2CCOCC2)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087152232	776066201	/nfs/dbraw/zinc/06/62/01/776066201.db2.gz	MYNGVXZSEQGJPW-XLIONFOSSA-N	1	0	370.497	1.607	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccc(N3CCOCC3=O)c(C)c2)CC1	ZINC000933222988	776221894	/nfs/dbraw/zinc/22/18/94/776221894.db2.gz	MVWSXPLHMVALRS-UHFFFAOYSA-N	1	0	370.453	1.577	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1	ZINC001021880506	776476106	/nfs/dbraw/zinc/47/61/06/776476106.db2.gz	JTGDFVXJMOKPJV-JCGIZDLHSA-N	1	0	354.454	1.581	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H]2COCCO2)C1	ZINC001075419043	776502678	/nfs/dbraw/zinc/50/26/78/776502678.db2.gz	OZJUWBUBBIPMGW-BHIYHBOVSA-N	1	0	360.429	1.396	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)Cc2ccc(C(N)=O)nc2)C[C@H]1C	ZINC001104352453	776623413	/nfs/dbraw/zinc/62/34/13/776623413.db2.gz	WZTDCINGJGEHQD-NVXWUHKLSA-N	1	0	358.486	1.763	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]21	ZINC001021939234	776749822	/nfs/dbraw/zinc/74/98/22/776749822.db2.gz	FWIUZYITRRVBKP-LZLYRXPVSA-N	1	0	358.486	1.687	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21	ZINC001021939419	776751251	/nfs/dbraw/zinc/75/12/51/776751251.db2.gz	JZJMJVFMHJMRTE-QFBILLFUSA-N	1	0	370.497	1.831	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cnn(C)c2Cl)C[C@H]1C	ZINC001104355954	776988328	/nfs/dbraw/zinc/98/83/28/776988328.db2.gz	UTSVCUVVUKFSTH-ZIAGYGMSSA-N	1	0	354.882	1.964	20	30		FDEDRO
C[C@@H]1CCN(C(=O)CCn2ccnn2)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087156732	777078080	/nfs/dbraw/zinc/07/80/80/777078080.db2.gz	XOSBDNLOEPAVTK-APWZRJJASA-N	1	0	366.469	1.957	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3ccc(OC)cc3)[C@H]2C1	ZINC001083219484	777116286	/nfs/dbraw/zinc/11/62/86/777116286.db2.gz	YODTUSQJLUCQDU-ZGXWSNOMSA-N	1	0	354.450	1.734	20	30		FDEDRO
Cn1cc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)c(-c2ccccc2)n1	ZINC000255327325	777145132	/nfs/dbraw/zinc/14/51/32/777145132.db2.gz	XIAUPTWZOIACJC-VHEBQXMUSA-N	1	0	351.410	1.703	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(N)=O)C2)cc1	ZINC001104360607	777276165	/nfs/dbraw/zinc/27/61/65/777276165.db2.gz	QQLFLMWQVGKTSZ-BFYDXBDKSA-N	1	0	359.470	1.813	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@H]([N@H+](C)Cc3ccc(C#N)cc3)C2)C1	ZINC000971550299	777559848	/nfs/dbraw/zinc/55/98/48/777559848.db2.gz	TZYWQEKSLCEKTO-FHLIZLRMSA-N	1	0	354.454	1.506	20	30		FDEDRO
COc1ccc(C#N)cc1CN(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000971561564	777630679	/nfs/dbraw/zinc/63/06/79/777630679.db2.gz	XNPGNZOMYHTITF-AYOQOUSVSA-N	1	0	370.497	1.940	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccco2)C[C@H]1c1ccccc1	ZINC001211517315	777725114	/nfs/dbraw/zinc/72/51/14/777725114.db2.gz	UDBQOJWPIAWTRV-DLBZAZTESA-N	1	0	353.422	1.780	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccnc(N(C)C)c2)C1	ZINC001022099845	777917609	/nfs/dbraw/zinc/91/76/09/777917609.db2.gz	QZLSILKLAXLDTH-XDNAFOTISA-N	1	0	358.486	1.866	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cn(C)nn2)[C@H](C[NH2+]Cc2cc(F)ccc2C#N)C1	ZINC001087161806	777993846	/nfs/dbraw/zinc/99/38/46/777993846.db2.gz	ZKVIMVJAOMJFPV-DYVFJYSZSA-N	1	0	370.432	1.856	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)/C=C\C4CC4)[C@@H]3C2)CC1	ZINC000971676989	778613644	/nfs/dbraw/zinc/61/36/44/778613644.db2.gz	WEOOLHFAGXOBIF-CQQBRXBZSA-N	1	0	355.482	1.357	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1	ZINC001022211977	778645499	/nfs/dbraw/zinc/64/54/99/778645499.db2.gz	XMBDOXOWCUHZIL-JENIJYKNSA-N	1	0	370.497	1.689	20	30		FDEDRO
C[C@@H]1CCN(C(=O)Cn2ncnn2)[C@H](C[NH2+]Cc2cc(F)ccc2C#N)C1	ZINC001087167071	778654702	/nfs/dbraw/zinc/65/47/02/778654702.db2.gz	QMQWQFCSQYLADM-DYVFJYSZSA-N	1	0	371.420	1.101	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1	ZINC001022217622	778683952	/nfs/dbraw/zinc/68/39/52/778683952.db2.gz	SFMZUBZTPXLZIS-MLHJIOFPSA-N	1	0	373.497	1.123	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)CC1	ZINC000971718460	778835447	/nfs/dbraw/zinc/83/54/47/778835447.db2.gz	GHXNLDOMVQPMKM-SJLPKXTDSA-N	1	0	369.469	1.291	20	30		FDEDRO
C[C@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCC(c2ccc(C#N)cc2)CC1	ZINC000933613669	779168700	/nfs/dbraw/zinc/16/87/00/779168700.db2.gz	DXORRLBCQFHRRN-OAHLLOKOSA-N	1	0	368.481	1.850	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@H](C)C(=O)NC(N)=O)CCCCC1	ZINC001111484051	779251152	/nfs/dbraw/zinc/25/11/52/779251152.db2.gz	TYCJPGKKNAXQQV-FPCVCCKLSA-N	1	0	374.485	1.265	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)N3CCCO[C@@H](C)C3)cn2)CC1	ZINC000328890722	779264478	/nfs/dbraw/zinc/26/44/78/779264478.db2.gz	RZGQAEGDTYSYMA-INIZCTEOSA-N	1	0	361.490	1.748	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]21	ZINC001022312718	779286447	/nfs/dbraw/zinc/28/64/47/779286447.db2.gz	CRASUBNGWVAWPB-SLFFLAALSA-N	1	0	367.493	1.610	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@@H]1CCN(C)C1=O	ZINC001087175341	779460158	/nfs/dbraw/zinc/46/01/58/779460158.db2.gz	IWFKDIINHXFFLU-IXDOHACOSA-N	1	0	358.486	1.735	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001087178556	779820384	/nfs/dbraw/zinc/82/03/84/779820384.db2.gz	DCCBAGFNDWFKEC-AYOQOUSVSA-N	1	0	368.481	1.944	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3ccccc3NC(C)=O)[C@H]2C1	ZINC001083228550	779843085	/nfs/dbraw/zinc/84/30/85/779843085.db2.gz	IAOAGGNHLXZQER-RBUKOAKNSA-N	1	0	357.454	1.675	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1	ZINC000276878612	779986412	/nfs/dbraw/zinc/98/64/12/779986412.db2.gz	DLQKKCMWONTBNB-YJBOKZPZSA-N	1	0	364.396	1.588	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCNS(=O)(=O)CC)C1	ZINC001112508127	780140954	/nfs/dbraw/zinc/14/09/54/780140954.db2.gz	OYQDGPYWSXIKSR-YJBOKZPZSA-N	1	0	371.547	1.356	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087184322	780349106	/nfs/dbraw/zinc/34/91/06/780349106.db2.gz	HPJNMQDXMBGXRO-MNEFBYGVSA-N	1	0	368.481	1.801	20	30		FDEDRO
Cn1nccc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C1	ZINC001022472007	780497572	/nfs/dbraw/zinc/49/75/72/780497572.db2.gz	WEYZTAWHGJXWFH-NOXHYTERSA-N	1	0	355.467	1.894	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H]1COCC[C@H]1OC	ZINC000934040200	780637197	/nfs/dbraw/zinc/63/71/97/780637197.db2.gz	KUKNDYLJTIHSES-BFYDXBDKSA-N	1	0	361.442	1.724	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@H]2O)CC1	ZINC001025491323	790829691	/nfs/dbraw/zinc/82/96/91/790829691.db2.gz	XTRZIHHDMABNBY-KZNAEPCWSA-N	1	0	363.502	1.295	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cccc(COC)c2)C[C@H]1C	ZINC001104393586	780950663	/nfs/dbraw/zinc/95/06/63/780950663.db2.gz	VFNLTMYIJOVZGU-VQIMIIECSA-N	1	0	371.481	1.270	20	30		FDEDRO
C[C@H](CC(N)=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccccc2C#N)C1	ZINC001112509281	781039833	/nfs/dbraw/zinc/03/98/33/781039833.db2.gz	QXFYRYWCFPABSX-YWMUFLPLSA-N	1	0	368.481	1.788	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(-c4ccncc4)c3)[C@H]2C1	ZINC001083235322	781323677	/nfs/dbraw/zinc/32/36/77/781323677.db2.gz	YFQUDDWOJCADDL-ZWKOTPCHSA-N	1	0	353.426	1.369	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)C2)c(F)c1	ZINC000408031240	790878506	/nfs/dbraw/zinc/87/85/06/790878506.db2.gz	LNVGRRXSIZOOGS-LPHOPBHVSA-N	1	0	371.460	1.172	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1C#N	ZINC000472111196	781651999	/nfs/dbraw/zinc/65/19/99/781651999.db2.gz	UBVWNSJMPNUZMT-JKSUJKDBSA-N	1	0	371.489	1.059	20	30		FDEDRO
CN(C)c1ccc(C(N)=[NH+]OCc2nnnn2CC2CCOCC2)cc1	ZINC000277392809	781666837	/nfs/dbraw/zinc/66/68/37/781666837.db2.gz	CEAQGSVCEGDWJA-UHFFFAOYSA-N	1	0	359.434	1.003	20	30		FDEDRO
O=C(NCC#C[C@H]1CCCCO1)NC1CC[NH+](Cc2ccncc2)CC1	ZINC000892131239	781695407	/nfs/dbraw/zinc/69/54/07/781695407.db2.gz	XRYNSHFOBYEDAO-LJQANCHMSA-N	1	0	356.470	1.918	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(OCC(N)=O)cc2)C[C@H]1C	ZINC001104399373	781777548	/nfs/dbraw/zinc/77/75/48/781777548.db2.gz	GKPYQSNETBTGHW-NVXWUHKLSA-N	1	0	359.470	1.815	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(=O)n(CCOC)n2)C[C@H]1C	ZINC001104399786	781804653	/nfs/dbraw/zinc/80/46/53/781804653.db2.gz	ZANZQTFFLCSQGS-HZPDHXFCSA-N	1	0	362.474	1.154	20	30		FDEDRO
CCC[N@H+](CC)CCNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000376998582	790929925	/nfs/dbraw/zinc/92/99/25/790929925.db2.gz	UJPTUBWJHPXGLI-SFHVURJKSA-N	1	0	356.470	1.897	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C	ZINC000892284440	783384567	/nfs/dbraw/zinc/38/45/67/783384567.db2.gz	XYCVUZGEHZNPDX-HNNXBMFYSA-N	1	0	363.421	1.938	20	30		FDEDRO
CC(C)[C@@H](C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC#N)C1	ZINC001211554789	783443499	/nfs/dbraw/zinc/44/34/99/783443499.db2.gz	GUYAAWFTZSIRCR-YTQUADARSA-N	1	0	370.497	1.893	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCn2c(C)csc2=O)C1	ZINC000972375631	783544302	/nfs/dbraw/zinc/54/43/02/783544302.db2.gz	JMQGYXRALHWYNU-OAGGEKHMSA-N	1	0	365.499	1.342	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cncn2C)C[C@H]1c1ccccc1	ZINC001211629371	783768013	/nfs/dbraw/zinc/76/80/13/783768013.db2.gz	NFMFYQSSJFIFDJ-ZWKOTPCHSA-N	1	0	354.454	1.821	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1Cc3ccccc31)C2	ZINC001112519665	783842212	/nfs/dbraw/zinc/84/22/12/783842212.db2.gz	UEBKSVROOOKSLV-KPLVRAHFSA-N	1	0	367.493	1.847	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21	ZINC000972847254	783934433	/nfs/dbraw/zinc/93/44/33/783934433.db2.gz	ZMDKDBLHVNNCSX-JFIYKMOQSA-N	1	0	369.469	1.434	20	30		FDEDRO
N#Cc1ccccc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC001024157629	784029788	/nfs/dbraw/zinc/02/97/88/784029788.db2.gz	DPIMJLZGBXZIAS-BBWFWOEESA-N	1	0	368.481	1.788	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1F	ZINC001024158112	784035316	/nfs/dbraw/zinc/03/53/16/784035316.db2.gz	KQSBHEPMHCAPEW-BMFZPTHFSA-N	1	0	358.417	1.147	20	30		FDEDRO
CCN1CC[C@@H](NC(=O)NCC#CCO)[C@H]1c1ccc(Cl)c(F)c1	ZINC000923776083	784747450	/nfs/dbraw/zinc/74/74/50/784747450.db2.gz	CNVOMCZZLQHMRG-HZPDHXFCSA-N	1	0	353.825	1.909	20	30		FDEDRO
C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccnn1CC	ZINC001024486754	784875302	/nfs/dbraw/zinc/87/53/02/784875302.db2.gz	HZIVRWTUTVVDOD-ZHALLVOQSA-N	1	0	358.486	1.975	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1CNC(=O)NCC#C[C@@H]1CCCCO1	ZINC000892479763	785069579	/nfs/dbraw/zinc/06/95/79/785069579.db2.gz	NPTFSWBUXTYRMN-SFHVURJKSA-N	1	0	359.470	1.999	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccnc(OC)n2)C[C@H]1c1ccccc1	ZINC001211633014	785104220	/nfs/dbraw/zinc/10/42/20/785104220.db2.gz	ONTQWCUILSSBAA-FUHWJXTLSA-N	1	0	350.422	1.706	20	30		FDEDRO
CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000892482721	785130222	/nfs/dbraw/zinc/13/02/22/785130222.db2.gz	HHOUNYHMIWJWRU-CVEARBPZSA-N	1	0	357.458	1.894	20	30		FDEDRO
O=C(NCC#CCO)NCCCOC1CC[NH+](Cc2ccccc2)CC1	ZINC000923777591	785325213	/nfs/dbraw/zinc/32/52/13/785325213.db2.gz	KQDNPIVKCRAJEB-UHFFFAOYSA-N	1	0	359.470	1.353	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)CCn3ccc4ccccc43)[C@H]2C1	ZINC001083268512	785354340	/nfs/dbraw/zinc/35/43/40/785354340.db2.gz	GCWOVRSSYIEYNE-VQTJNVASSA-N	1	0	351.450	1.966	20	30		FDEDRO
C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC001024702418	785770573	/nfs/dbraw/zinc/77/05/73/785770573.db2.gz	UFXZRGCKDPBTEW-ZIFCJYIRSA-N	1	0	356.470	1.758	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1c1ccccc1	ZINC001211682091	805657684	/nfs/dbraw/zinc/65/76/84/805657684.db2.gz	JTUDDKZDTMMLDE-YESZJQIVSA-N	1	0	370.453	1.135	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1	ZINC000972989260	787162688	/nfs/dbraw/zinc/16/26/88/787162688.db2.gz	BHWLFKPIGFKZQS-IEBWSBKVSA-N	1	0	370.497	1.689	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)cc1	ZINC000972989824	787168975	/nfs/dbraw/zinc/16/89/75/787168975.db2.gz	LYBARMLAMTZONT-WOJBJXKFSA-N	1	0	365.477	1.683	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cc(C)ncn3)C[C@H]21	ZINC000978844332	805811333	/nfs/dbraw/zinc/81/13/33/805811333.db2.gz	VPBOUZWDQSRQLK-FKSLSLAPSA-N	1	0	356.470	1.560	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCS(C)(=O)=O)C1	ZINC001104553707	787783484	/nfs/dbraw/zinc/78/34/84/787783484.db2.gz	FTNUGHZYDSWUQL-IAGOWNOFSA-N	1	0	356.532	1.689	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1	ZINC000978873727	805840253	/nfs/dbraw/zinc/84/02/53/805840253.db2.gz	GKHZSSPWHZJATL-LVEJAMMSSA-N	1	0	363.502	1.463	20	30		FDEDRO
CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC#Cc2ccccc2)C1	ZINC001111999572	788528033	/nfs/dbraw/zinc/52/80/33/788528033.db2.gz	PENAAXQAXGSYJQ-UGKGYDQZSA-N	1	0	367.493	1.877	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1	ZINC000973319644	788568974	/nfs/dbraw/zinc/56/89/74/788568974.db2.gz	PPGCMXQQGSNICN-TXTZMMAHSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc32)C[C@H]1C	ZINC001104605397	788829790	/nfs/dbraw/zinc/82/97/90/788829790.db2.gz	NGQGZSFUZNDRFV-SZVBFZGTSA-N	1	0	355.482	1.703	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC(N)=O)C2)CC1	ZINC001104631326	789057857	/nfs/dbraw/zinc/05/78/57/789057857.db2.gz	JLIDWGOGRQBJQY-IJEWVQPXSA-N	1	0	364.490	1.390	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCOCC2)C1	ZINC001104631145	789058042	/nfs/dbraw/zinc/05/80/42/789058042.db2.gz	BNOHKVRLIIIBAH-MBOZVWFJSA-N	1	0	365.518	1.522	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2(C(=O)NC)CC2)C[C@H]1c1ccccc1	ZINC001211688085	805934090	/nfs/dbraw/zinc/93/40/90/805934090.db2.gz	NVMZWRSLKRUVTG-ZWKOTPCHSA-N	1	0	371.481	1.299	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N3CCCC3)C2)c1	ZINC001104659685	789210021	/nfs/dbraw/zinc/21/00/21/789210021.db2.gz	SUUNCSVFNIHHNG-SJLPKXTDSA-N	1	0	368.481	1.373	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn3cccnc23)C[C@H]1c1ccccc1	ZINC001211646680	789214703	/nfs/dbraw/zinc/21/47/03/789214703.db2.gz	FXZCNSQKLUYSCL-RBUKOAKNSA-N	1	0	359.433	1.950	20	30		FDEDRO
C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1	ZINC000659629580	789311121	/nfs/dbraw/zinc/31/11/21/789311121.db2.gz	HMUIBOCNEBHXBZ-UHFFFAOYSA-N	1	0	361.402	1.014	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2c[nH]c(=O)cc2OC)C[C@H]1C	ZINC001104694552	789465018	/nfs/dbraw/zinc/46/50/18/789465018.db2.gz	XNCGZBFSAUPUNP-HUUCEWRRSA-N	1	0	363.458	1.686	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(C)(C)C)C1	ZINC001104699967	789520728	/nfs/dbraw/zinc/52/07/28/789520728.db2.gz	RXOCJCDXJAEZJY-VQHPVUNQSA-N	1	0	365.518	1.566	20	30		FDEDRO
C#CCC(CC#C)C(=O)NCc1c(C)nn(C)c1N1CCC[N@H+](C)CC1	ZINC000376688867	789637281	/nfs/dbraw/zinc/63/72/81/789637281.db2.gz	QMHLJSNBBKGNQB-UHFFFAOYSA-N	1	0	355.486	1.149	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3c(c2)CCO3)C[C@H]1C	ZINC001104713835	789655381	/nfs/dbraw/zinc/65/53/81/789655381.db2.gz	VLBMKBPHUVSSPO-VQIMIIECSA-N	1	0	356.466	1.959	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@H]1C	ZINC001104717898	789708892	/nfs/dbraw/zinc/70/88/92/789708892.db2.gz	ZQHYDXXEGLUOQM-VQIMIIECSA-N	1	0	369.509	1.778	20	30		FDEDRO
C[C@]1(C#N)CN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CCO1	ZINC000892773182	791193432	/nfs/dbraw/zinc/19/34/32/791193432.db2.gz	XDIBCJQLGURZPH-QUCCMNQESA-N	1	0	356.470	1.875	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H]2C[NH2+]CCN2C)cc1	ZINC000415017046	791205724	/nfs/dbraw/zinc/20/57/24/791205724.db2.gz	PEXQKNWBNDPJGU-GOSISDBHSA-N	1	0	371.485	1.526	20	30		FDEDRO
CCN(C(=O)NCCn1cnc(C#N)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000377218028	791277865	/nfs/dbraw/zinc/27/78/65/791277865.db2.gz	QPNHKUINXUZNJN-QGZVFWFLSA-N	1	0	367.457	1.456	20	30		FDEDRO
CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCCn1cnc(C#N)n1	ZINC000377225135	791311705	/nfs/dbraw/zinc/31/17/05/791311705.db2.gz	AXMZUMKGGKUKDH-UHFFFAOYSA-N	1	0	368.445	1.103	20	30		FDEDRO
N#Cc1ccc([C@@H]2CN(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CCO2)cc1	ZINC000892820019	791335493	/nfs/dbraw/zinc/33/54/93/791335493.db2.gz	UREGKXWNZHEIPJ-OTWHNJEPSA-N	1	0	370.453	1.504	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(CC)C(=O)C2CC[NH+](C)CC2)C1	ZINC000936082420	791396827	/nfs/dbraw/zinc/39/68/27/791396827.db2.gz	AXSGPIRJUVURAT-MSOLQXFVSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@@]2(c3cnn(C)c3)CCCO2)CC1	ZINC000892851711	791454424	/nfs/dbraw/zinc/45/44/24/791454424.db2.gz	OMTRHRABZNVSTP-LJQANCHMSA-N	1	0	361.490	1.766	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2CC23CCN(c2ccc(C#N)nc2)CC3)CC[N@@H+]1C	ZINC001058655857	791704740	/nfs/dbraw/zinc/70/47/40/791704740.db2.gz	MXAPQFATXXPEJD-ZTFGCOKTSA-N	1	0	353.470	1.769	20	30		FDEDRO
C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C1	ZINC000415276060	791827061	/nfs/dbraw/zinc/82/70/61/791827061.db2.gz	CEAACDZMTJOFHG-AWEZNQCLSA-N	1	0	358.442	1.742	20	30		FDEDRO
CCCc1c(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)cnn1-c1cccc(C#N)c1	ZINC000415331181	791946281	/nfs/dbraw/zinc/94/62/81/791946281.db2.gz	LIEXMFGICOJLFU-CQSZACIVSA-N	1	0	366.425	1.113	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1C(F)(F)F	ZINC001112033331	792052696	/nfs/dbraw/zinc/05/26/96/792052696.db2.gz	BPRPFTIMEYMIIX-ZIAGYGMSSA-N	1	0	350.381	1.595	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)ccc1OCC(F)(F)F	ZINC000415381847	792149512	/nfs/dbraw/zinc/14/95/12/792149512.db2.gz	RKPBRYAGTKXLKR-LBPRGKRZSA-N	1	0	370.331	1.306	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N(CCC)[C@H]2CC[NH2+]C2)cc1	ZINC000415387366	792172588	/nfs/dbraw/zinc/17/25/88/792172588.db2.gz	CXDWRSCVBLJCPZ-INIZCTEOSA-N	1	0	358.442	1.141	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1C#N	ZINC000415486223	792353149	/nfs/dbraw/zinc/35/31/49/792353149.db2.gz	PQADMAFYZQIFSJ-ZBFHGGJFSA-N	1	0	356.426	1.637	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@H](C)[C@@H]2CN(C)CCO2)c(OC)c1	ZINC000644602762	792366536	/nfs/dbraw/zinc/36/65/36/792366536.db2.gz	NLMORIPRVMNDCQ-MDYRTPRTSA-N	1	0	364.486	1.472	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1C#N	ZINC000415593573	792629909	/nfs/dbraw/zinc/62/99/09/792629909.db2.gz	JNGGHIZKQGEQMV-IBGZPJMESA-N	1	0	356.426	1.496	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@]2(C)COc3ccccc3O2)CC1	ZINC000636677051	806173133	/nfs/dbraw/zinc/17/31/33/806173133.db2.gz	ORAMAJRJEDXHKJ-FQEVSTJZSA-N	1	0	373.453	1.099	20	30		FDEDRO
C#CCNC(=O)c1ccc(N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)nc1	ZINC000377749136	792714903	/nfs/dbraw/zinc/71/49/03/792714903.db2.gz	ZCRVQYCSUJLUHP-CGTJXYLNSA-N	1	0	356.470	1.746	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1	ZINC000415632295	792736984	/nfs/dbraw/zinc/73/69/84/792736984.db2.gz	OPOVVEQGUBATFJ-TXEJJXNPSA-N	1	0	364.352	1.451	20	30		FDEDRO
CC#CCN1C[C@H]2OCCN(C(=O)Cc3cc4ccccc4n3C)[C@H]2C1	ZINC001083288222	792847576	/nfs/dbraw/zinc/84/75/76/792847576.db2.gz	UVMZMMDTAJIUQO-VQTJNVASSA-N	1	0	351.450	1.656	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1	ZINC000415749969	792925191	/nfs/dbraw/zinc/92/51/91/792925191.db2.gz	SCRDHEMDIHTSPY-JKSUJKDBSA-N	1	0	370.453	1.788	20	30		FDEDRO
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH3+]	ZINC000415792164	793003826	/nfs/dbraw/zinc/00/38/26/793003826.db2.gz	SUHYOOLXCSWDAE-CHWSQXEVSA-N	1	0	367.409	1.844	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1C#N	ZINC000415808167	793012184	/nfs/dbraw/zinc/01/21/84/793012184.db2.gz	RBEJWESCMHKPSD-WBVHZDCISA-N	1	0	356.426	1.160	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCN(C(C)(C)C)C3=O)C[C@H]21	ZINC001026056766	793032829	/nfs/dbraw/zinc/03/28/29/793032829.db2.gz	AAYRFUJJEIJADK-XDKXFUCDSA-N	1	0	361.486	1.023	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1	ZINC000415820705	793048465	/nfs/dbraw/zinc/04/84/65/793048465.db2.gz	LUUWVNBRFXXQRU-CVEARBPZSA-N	1	0	370.453	1.744	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)[C@@H]2C1	ZINC000644734740	793071949	/nfs/dbraw/zinc/07/19/49/793071949.db2.gz	UOCCERJFBONBJH-NVXWUHKLSA-N	1	0	365.399	1.809	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CCN1C1CC1	ZINC000377944360	793172787	/nfs/dbraw/zinc/17/27/87/793172787.db2.gz	FAHYPVZGRHQATC-HXUWFJFHSA-N	1	0	367.497	1.397	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(Cl)c[nH]4)[C@@H]3C2)C1=O	ZINC001075541562	793245567	/nfs/dbraw/zinc/24/55/67/793245567.db2.gz	KXNRUBQKQHINDT-VBNZEHGJSA-N	1	0	362.861	1.601	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1	ZINC000415870411	793263858	/nfs/dbraw/zinc/26/38/58/793263858.db2.gz	MTQHRCRJKRAFEL-ARFHVFGLSA-N	1	0	370.453	1.788	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)NCCC2=CC[NH2+]CC2)cc1C#N	ZINC000415883251	793286552	/nfs/dbraw/zinc/28/65/52/793286552.db2.gz	YDCMRZDEUKBXOA-UHFFFAOYSA-N	1	0	356.426	1.710	20	30		FDEDRO
C[NH2+]Cc1cccc(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1	ZINC000415949589	793421203	/nfs/dbraw/zinc/42/12/03/793421203.db2.gz	ZRFNMGPYJZKXSD-CQSZACIVSA-N	1	0	365.441	1.810	20	30		FDEDRO
CN(C(=O)C#Cc1ccc2c(c1)OCO2)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000378135724	793550583	/nfs/dbraw/zinc/55/05/83/793550583.db2.gz	DMEXDWYJDYOWSC-GOSISDBHSA-N	1	0	369.465	1.394	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)Cc2ccco2)C[C@H]1C	ZINC001104782512	793632208	/nfs/dbraw/zinc/63/22/08/793632208.db2.gz	FXJLATJUWPLTPG-GVDBMIGSSA-N	1	0	361.486	1.835	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3nncn3c2)C[C@H]1C	ZINC001104787712	793678925	/nfs/dbraw/zinc/67/89/25/793678925.db2.gz	NZGZRWFPXLFGGD-HZPDHXFCSA-N	1	0	355.442	1.067	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)c2cn3nc(C)cc3[nH]c2=O)C[C@H]1C	ZINC001104792510	793704634	/nfs/dbraw/zinc/70/46/34/793704634.db2.gz	YKXWFNUSYMEIOW-UKRRQHHQSA-N	1	0	357.458	1.595	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cn3nc(C)cc3[nH]c2=O)C[C@H]1C	ZINC001104792446	793704711	/nfs/dbraw/zinc/70/47/11/793704711.db2.gz	VNDZKCXSSHFZBF-UKRRQHHQSA-N	1	0	355.442	1.042	20	30		FDEDRO
CC[C@@H](C[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@H]1C(F)(F)F)OC	ZINC001112053089	793875389	/nfs/dbraw/zinc/87/53/89/793875389.db2.gz	QZUHHUPPQFAHOH-QJPTWQEYSA-N	1	0	353.410	1.647	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)CC1	ZINC000278824255	793893935	/nfs/dbraw/zinc/89/39/35/793893935.db2.gz	CEYCNIKSLMWKHN-AWEZNQCLSA-N	1	0	352.442	1.698	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cnc3c(cnn3C)c2)C[C@H]1C	ZINC001104840164	794005404	/nfs/dbraw/zinc/00/54/04/794005404.db2.gz	YBNWEMLSCHCQFU-HZPDHXFCSA-N	1	0	371.485	1.859	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2c[nH]cc2C2CC2)C[C@H]1C	ZINC001104853709	794080477	/nfs/dbraw/zinc/08/04/77/794080477.db2.gz	IKPNSIBDEZCQQE-HLLBOEOZSA-N	1	0	370.497	1.718	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCC(c3cn[nH]c3)CC2)CC1	ZINC000378424866	794111978	/nfs/dbraw/zinc/11/19/78/794111978.db2.gz	FJRFTAXEWSGPJR-SFHVURJKSA-N	1	0	358.490	1.281	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)c2cscn2)C[C@H]1C	ZINC001104879772	794188939	/nfs/dbraw/zinc/18/89/39/794188939.db2.gz	PFNDWOOLCKNCBI-ZIAGYGMSSA-N	1	0	350.488	1.523	20	30		FDEDRO
N#CC1(c2ccc(C(=O)N3CCC([N@H+]4CCC[C@@H]4C(N)=O)CC3)cc2)CC1	ZINC000378471671	794194740	/nfs/dbraw/zinc/19/47/40/794194740.db2.gz	FNBJVTZYPHSMNN-GOSISDBHSA-N	1	0	366.465	1.796	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)CCC(=O)NCCCOC)C[C@H]1C	ZINC001104893290	794243880	/nfs/dbraw/zinc/24/38/80/794243880.db2.gz	STOIBKOQUBQHSI-IAGOWNOFSA-N	1	0	353.507	1.570	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cnn(C(C)C)c2)C[C@H]1C	ZINC001104900035	794288481	/nfs/dbraw/zinc/28/84/81/794288481.db2.gz	DTBFIRLHHUOQDE-HZPDHXFCSA-N	1	0	361.490	1.454	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N[C@H](C)CC)C2)nc1	ZINC001104924971	794423516	/nfs/dbraw/zinc/42/35/16/794423516.db2.gz	VLJOXFVWDWWIIM-JFIYKMOQSA-N	1	0	370.497	1.665	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cc(CC)on2)C[C@H]1C	ZINC001104927879	794436301	/nfs/dbraw/zinc/43/63/01/794436301.db2.gz	YVZRPUZLFKYNEK-RBSFLKMASA-N	1	0	360.458	1.063	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnns3)C2)cn1	ZINC001104927799	794436693	/nfs/dbraw/zinc/43/66/93/794436693.db2.gz	URWDBOWDWKIANC-UKRRQHHQSA-N	1	0	355.467	1.802	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)COc2ccccc2)C[C@H]1C	ZINC001104946073	794512300	/nfs/dbraw/zinc/51/23/00/794512300.db2.gz	LSDDCQWUDCDDGE-IAGOWNOFSA-N	1	0	359.470	1.442	20	30		FDEDRO
CCCCCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104949451	794529263	/nfs/dbraw/zinc/52/92/63/794529263.db2.gz	VOYJNOSHXFDLHG-IAGOWNOFSA-N	1	0	366.506	1.297	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3cccc4nsnc43)[C@H]2C1	ZINC001083294527	794530083	/nfs/dbraw/zinc/53/00/83/794530083.db2.gz	GMORCAAIBKZGLR-JKSUJKDBSA-N	1	0	356.451	1.169	20	30		FDEDRO
COc1cccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)c1	ZINC001104946860	794530524	/nfs/dbraw/zinc/53/05/24/794530524.db2.gz	BKZJFZXNAMQJFE-GDBMZVCRSA-N	1	0	358.442	1.023	20	30		FDEDRO
C=CCN(C[C@H]1CCCN(C(=O)C(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1	ZINC000660071341	794550515	/nfs/dbraw/zinc/55/05/15/794550515.db2.gz	YBIGJUNLAKXPSZ-HZPDHXFCSA-N	1	0	356.532	1.946	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC)C1	ZINC001104954752	794553714	/nfs/dbraw/zinc/55/37/14/794553714.db2.gz	QRNBMVXJTJSFDY-VQIMIIECSA-N	1	0	355.482	1.421	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)C[C@H]1C	ZINC001104966865	794608271	/nfs/dbraw/zinc/60/82/71/794608271.db2.gz	IHPQTKZDIYPIQY-BFYDXBDKSA-N	1	0	363.506	1.319	20	30		FDEDRO
Cc1cc(C)c(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)c(C)c1	ZINC001104983437	794726450	/nfs/dbraw/zinc/72/64/50/794726450.db2.gz	HOCFCQZRGDDQSD-QZTJIDSGSA-N	1	0	370.497	1.939	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2ccccc2C)C[C@H]1C	ZINC001104994416	794765342	/nfs/dbraw/zinc/76/53/42/794765342.db2.gz	PALRZHSEVHEVPB-QWFCFKBJSA-N	1	0	369.509	1.750	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccccc2-n2cnnn2)C[C@H]1C	ZINC001104996490	794797966	/nfs/dbraw/zinc/79/79/66/794797966.db2.gz	GVVOMUBDISTNDP-HZPDHXFCSA-N	1	0	352.442	1.373	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cccc(NC(C)=O)c2)C[C@H]1C	ZINC001105002361	794833347	/nfs/dbraw/zinc/83/33/47/794833347.db2.gz	FHBUPGGXMLOGQJ-VQIMIIECSA-N	1	0	371.481	1.983	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000511594910	794858141	/nfs/dbraw/zinc/85/81/41/794858141.db2.gz	KUVZCQUFUFDLFW-WMZOPIPTSA-N	1	0	359.470	1.284	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)CCCc2nc(C)no2)C[C@H]1C	ZINC001105005451	794858736	/nfs/dbraw/zinc/85/87/36/794858736.db2.gz	VCIQEMLKXQVPFO-NVXWUHKLSA-N	1	0	362.474	1.425	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)c2ccccc2C)C[C@H]1C	ZINC001105050519	795066642	/nfs/dbraw/zinc/06/66/42/795066642.db2.gz	SKORFXNNWYBMEE-CEXWTWQISA-N	1	0	369.509	1.922	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C)C[C@H]1C	ZINC001105067486	795147489	/nfs/dbraw/zinc/14/74/89/795147489.db2.gz	DQFVFRDOARCRAO-GDBMZVCRSA-N	1	0	354.454	1.990	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NCC=C)C1	ZINC001105090442	795234816	/nfs/dbraw/zinc/23/48/16/795234816.db2.gz	VSNXGIGXJYBUIT-BRWVUGGUSA-N	1	0	351.491	1.344	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCO[C@@H]2CCOC2)C1	ZINC001105090424	795235186	/nfs/dbraw/zinc/23/51/86/795235186.db2.gz	VCEJNEBWPJSWFD-GUDVDZBRSA-N	1	0	368.518	1.849	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNC(=O)NC(C)C)C1	ZINC001105090806	795237656	/nfs/dbraw/zinc/23/76/56/795237656.db2.gz	JPJXNOSLDWUKLZ-IXDOHACOSA-N	1	0	368.522	1.359	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC(C)C)C1	ZINC001105091026	795238924	/nfs/dbraw/zinc/23/89/24/795238924.db2.gz	QGRUEGMENNIFJV-IXDOHACOSA-N	1	0	353.507	1.424	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCCO2)C[C@H]1C	ZINC001105111543	795323170	/nfs/dbraw/zinc/32/31/70/795323170.db2.gz	DYBIZNBFYOGCPH-FVQBIDKESA-N	1	0	371.909	1.498	20	30		FDEDRO
CCC1(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(=O)NCC#N)C2)CCC1	ZINC001211653697	795366553	/nfs/dbraw/zinc/36/65/53/795366553.db2.gz	UVMIGFZAGMGORP-ZWKOTPCHSA-N	1	0	368.481	1.791	20	30		FDEDRO
C[C@H](CCCC[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000418082636	795520437	/nfs/dbraw/zinc/52/04/37/795520437.db2.gz	XVALNQARAPOLTR-RHSMWYFYSA-N	1	0	357.458	1.476	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC([NH2+]Cc2nnc(C)s2)CC1	ZINC001026564155	795557997	/nfs/dbraw/zinc/55/79/97/795557997.db2.gz	TUJJDPWOLVYDHE-CVSAEHQPSA-N	1	0	350.488	1.955	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1	ZINC001026613246	795646654	/nfs/dbraw/zinc/64/66/54/795646654.db2.gz	IKOAIRCKCNMDJD-DNVCBOLYSA-N	1	0	353.466	1.738	20	30		FDEDRO
Cc1ccc(-n2nc(CCCNC(=O)N[C@H]3CC[NH2+]C3)c(C#N)c2N)cc1	ZINC000418386376	795851906	/nfs/dbraw/zinc/85/19/06/795851906.db2.gz	QBVWLXHPOXOWOY-AWEZNQCLSA-N	1	0	367.457	1.228	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)C2CCCC2)c1	ZINC000162900610	806457248	/nfs/dbraw/zinc/45/72/48/806457248.db2.gz	CNPGLQGROJMTKA-UHFFFAOYSA-N	1	0	357.454	1.970	20	30		FDEDRO
CC(C)([NH3+])CNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N	ZINC000418417367	795892859	/nfs/dbraw/zinc/89/28/59/795892859.db2.gz	UCUJLSQMKGIPCH-UHFFFAOYSA-N	1	0	373.436	1.434	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC1	ZINC000418438879	795925360	/nfs/dbraw/zinc/92/53/60/795925360.db2.gz	ZNZAKKZLFSDMQQ-KRWDZBQOSA-N	1	0	350.426	1.485	20	30		FDEDRO
N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NC[C@H]([NH3+])C2CC2)CC1	ZINC000418503108	796021154	/nfs/dbraw/zinc/02/11/54/796021154.db2.gz	WVZFLVXFIXLYSG-ZDUSSCGKSA-N	1	0	370.413	1.375	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1	ZINC000759909199	796139444	/nfs/dbraw/zinc/13/94/44/796139444.db2.gz	YLNXQIPYCYNHFV-OAHLLOKOSA-N	1	0	355.442	1.282	20	30		FDEDRO
Cc1cccn2cc(CC(=O)N3C[C@H]4CCN(C(=O)[C@H](C)C#N)C[C@H]43)nc12	ZINC000974530056	796271028	/nfs/dbraw/zinc/27/10/28/796271028.db2.gz	QGMMDNLHGPDOLI-BFYDXBDKSA-N	1	0	365.437	1.404	20	30		FDEDRO
C[NH+]=C(NCC1(N2CCOCC2)CCCCC1)N[C@@H]1CCN(C2CC2)C1	ZINC000083129026	806529625	/nfs/dbraw/zinc/52/96/25/806529625.db2.gz	TZHPPPFWRUPAPO-QGZVFWFLSA-N	1	0	363.550	1.423	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1	ZINC001112523393	799951638	/nfs/dbraw/zinc/95/16/38/799951638.db2.gz	QLIQXVMNUMLABP-JQHSSLGASA-N	1	0	356.532	1.852	20	30		FDEDRO
C=C(C)Cn1c(-c2ccc(=O)n(C)c2)nnc1N1CC[NH+](C(C)C)CC1	ZINC000909339663	800055307	/nfs/dbraw/zinc/05/53/07/800055307.db2.gz	NZPNJBKJKCIPBN-UHFFFAOYSA-N	1	0	356.474	1.750	20	30		FDEDRO
C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C(C)(C)C1	ZINC000974683656	800082139	/nfs/dbraw/zinc/08/21/39/800082139.db2.gz	CNUSRMRTNZDWLG-SQNIBIBYSA-N	1	0	358.486	1.738	20	30		FDEDRO
CC1(C)C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O	ZINC000975048617	800773918	/nfs/dbraw/zinc/77/39/18/800773918.db2.gz	QCVMXRAZFGJXKG-IXDOHACOSA-N	1	0	370.453	1.037	20	30		FDEDRO
CC1(C)C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)C1	ZINC000975050107	800828587	/nfs/dbraw/zinc/82/85/87/800828587.db2.gz	TWVNQVUPCYEZBA-SQNIBIBYSA-N	1	0	368.481	1.786	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2c(C)nn(C)c2Cl)C1	ZINC001027075292	800887542	/nfs/dbraw/zinc/88/75/42/800887542.db2.gz	QOKALAJANDIXGL-FMKPAKJESA-N	1	0	366.893	1.911	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnc3n2CCCC3)C1	ZINC001027075529	800889284	/nfs/dbraw/zinc/88/92/84/800889284.db2.gz	UZUZBPNJQMDAJD-XHSDSOJGSA-N	1	0	359.474	1.144	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nccn2C(F)F)C1	ZINC001027075643	800890051	/nfs/dbraw/zinc/89/00/51/800890051.db2.gz	XFYFTAWJZHAGHS-MCIONIFRSA-N	1	0	354.401	1.807	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccnc(OC)n2)C1	ZINC001027116752	801011717	/nfs/dbraw/zinc/01/17/17/801011717.db2.gz	IQYIOGBNXPUVIY-XIRDDKMYSA-N	1	0	360.458	1.405	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ncnn2C(C)C)C1	ZINC001027117302	801015763	/nfs/dbraw/zinc/01/57/63/801015763.db2.gz	VEVYAEBGFQACNK-RYRKJORJSA-N	1	0	361.490	1.778	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nn(C)cc2Cl)C1	ZINC001027117441	801017411	/nfs/dbraw/zinc/01/74/11/801017411.db2.gz	YIQIVRORAHLVHW-ZQIUZPCESA-N	1	0	366.893	1.993	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1	ZINC000975219452	801018627	/nfs/dbraw/zinc/01/86/27/801018627.db2.gz	ZBKNNQYKUVOROC-KFKAGJAMSA-N	1	0	368.481	1.623	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC000975313670	801122261	/nfs/dbraw/zinc/12/22/61/801122261.db2.gz	ATUDUVHDFKTSMT-HHXXYDBFSA-N	1	0	368.481	1.372	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)C1	ZINC000975650657	801836459	/nfs/dbraw/zinc/83/64/59/801836459.db2.gz	ODFZAUHIEPXFFN-HFTRVMKXSA-N	1	0	369.469	1.291	20	30		FDEDRO
C[N@H+](CC(=O)N1CC[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]21)C1CCC1	ZINC000975664922	801883171	/nfs/dbraw/zinc/88/31/71/801883171.db2.gz	LXFSMUYZBZYKMH-KSSFIOAISA-N	1	0	369.469	1.434	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)CCC[NH2+]1	ZINC000662671834	806945530	/nfs/dbraw/zinc/94/55/30/806945530.db2.gz	YETQCCTWCAEEMG-FQEVSTJZSA-N	1	0	362.518	1.232	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)CCC[NH2+]1	ZINC000662671967	806945569	/nfs/dbraw/zinc/94/55/69/806945569.db2.gz	TVVXTBURUGWYLG-OAQYLSRUSA-N	1	0	370.497	1.145	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@@H]32)c1	ZINC000975718539	802119897	/nfs/dbraw/zinc/11/98/97/802119897.db2.gz	JFUOZLRFMHDLOZ-LNLFQRSKSA-N	1	0	366.465	1.078	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)c4ccco4)[C@H]3C2)CC1	ZINC000975754264	802207578	/nfs/dbraw/zinc/20/75/78/802207578.db2.gz	HQHPOJPSRYBAQL-WMZOPIPTSA-N	1	0	369.465	1.688	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)c4ccoc4)[C@H]3C2)CC1	ZINC000975754809	802268819	/nfs/dbraw/zinc/26/88/19/802268819.db2.gz	PJVNOMNHNGJSDV-LPHOPBHVSA-N	1	0	369.465	1.688	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@H]2C1	ZINC000975789929	802342227	/nfs/dbraw/zinc/34/22/27/802342227.db2.gz	OQGPGOIMNZZILF-QGTPRVQTSA-N	1	0	369.469	1.434	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1ccc(OCC(N)=O)cc1	ZINC000661115945	802730518	/nfs/dbraw/zinc/73/05/18/802730518.db2.gz	VTTNWDHSVKVCBC-AEFFLSMTSA-N	1	0	359.470	1.891	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC(C)(F)F)C2	ZINC001112524757	802776208	/nfs/dbraw/zinc/77/62/08/802776208.db2.gz	GOCWPRLXHKTHDO-GLJUWKHASA-N	1	0	355.429	1.388	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1c1ccccc1	ZINC001211667037	803392624	/nfs/dbraw/zinc/39/26/24/803392624.db2.gz	SEUCAOAWBYDCLH-DLBZAZTESA-N	1	0	370.453	1.526	20	30		FDEDRO
CC(C)(C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc(C#N)c[nH]1)[NH+]1CCCC1	ZINC000976463455	803395734	/nfs/dbraw/zinc/39/57/34/803395734.db2.gz	BZHMNZNZGFNLDE-HZPDHXFCSA-N	1	0	371.485	1.918	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC000976556377	803521317	/nfs/dbraw/zinc/52/13/17/803521317.db2.gz	UMOLWCGWNTXHPR-KURKYZTESA-N	1	0	371.485	1.916	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1	ZINC000423120063	814965120	/nfs/dbraw/zinc/96/51/20/814965120.db2.gz	GBVFVFWQKLRUCC-CRAIPNDOSA-N	1	0	356.470	1.883	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1C	ZINC000976787844	803915150	/nfs/dbraw/zinc/91/51/50/803915150.db2.gz	ABZCHIJRPGBPDQ-ZMSHIADSSA-N	1	0	361.486	1.025	20	30		FDEDRO
CN(CC[NH3+])C(=O)C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	ZINC000423163420	814984521	/nfs/dbraw/zinc/98/45/21/814984521.db2.gz	RDQUANNVHNJJRP-UHFFFAOYSA-N	1	0	368.412	1.643	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1	ZINC000423168111	814986128	/nfs/dbraw/zinc/98/61/28/814986128.db2.gz	GSVBRPAGCKXPSQ-SJLPKXTDSA-N	1	0	357.454	1.420	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1	ZINC000423216390	815005658	/nfs/dbraw/zinc/00/56/58/815005658.db2.gz	PZTKRYMAZNYFQR-SFHVURJKSA-N	1	0	360.414	1.307	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](CC(C)C)OC)C2	ZINC001112526070	804449206	/nfs/dbraw/zinc/44/92/06/804449206.db2.gz	RBUNDPSFXLAFIL-BJLQDIEVSA-N	1	0	350.503	1.916	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2CCC)C[C@H]1c1ccccc1	ZINC001211670677	804481449	/nfs/dbraw/zinc/48/14/49/804481449.db2.gz	CMTJJXGTPVQMIT-YSTOQKLRSA-N	1	0	367.493	1.756	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1	ZINC000423254412	815021036	/nfs/dbraw/zinc/02/10/36/815021036.db2.gz	XZPUZEKRDSKXND-KRWDZBQOSA-N	1	0	372.469	1.121	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]21	ZINC000977217537	804604542	/nfs/dbraw/zinc/60/45/42/804604542.db2.gz	ONAIJULJRYXAHS-GJGATLCTSA-N	1	0	361.486	1.027	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)NCCC[NH+]1CCC(O)CC1	ZINC000504040000	815032092	/nfs/dbraw/zinc/03/20/92/815032092.db2.gz	SCRRXAUDWIOMHH-UHFFFAOYSA-N	1	0	359.470	1.707	20	30		FDEDRO
C=CC1CCN(C(=O)C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)CC1	ZINC000423301429	815039882	/nfs/dbraw/zinc/03/98/82/815039882.db2.gz	GEUJWGKRMMUHRC-ZWKOTPCHSA-N	1	0	359.445	1.894	20	30		FDEDRO
CCOc1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC#CCOC)C2)ccn1	ZINC001112526930	805056607	/nfs/dbraw/zinc/05/66/07/805056607.db2.gz	DBHJRWBTMQTXQG-RXVVDRJESA-N	1	0	371.481	1.962	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4ccc(C#N)cc4F)C[C@H]32)CC[N@@H+]1C	ZINC000978186831	805275131	/nfs/dbraw/zinc/27/51/31/805275131.db2.gz	XLUZNUNWFOXXQJ-PYJZQUQOSA-N	1	0	370.472	1.832	20	30		FDEDRO
C=C(Br)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[C@@H](C)CC(=O)N3)[C@@H]2C1	ZINC000978184698	805283599	/nfs/dbraw/zinc/28/35/99/805283599.db2.gz	VXVKFVZGIUVVLO-JTDRMQGGSA-N	1	0	370.291	1.104	20	30		FDEDRO
C[C@@H](COCC(=O)N1C[C@@H](c2ccccc2)[C@H](NCC#N)C1)[NH+]1CCCC1	ZINC001211678127	805311552	/nfs/dbraw/zinc/31/15/52/805311552.db2.gz	CSTMPYPYDJCWIY-YSIASYRMSA-N	1	0	370.497	1.595	20	30		FDEDRO
C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001027611142	805371848	/nfs/dbraw/zinc/37/18/48/805371848.db2.gz	QOEWGXWSLSXLIY-ZIFCJYIRSA-N	1	0	354.454	1.157	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1ccc2c[nH+]cn2c1	ZINC000978421934	805452191	/nfs/dbraw/zinc/45/21/91/805452191.db2.gz	QGDNWJVJRUKHMY-KSZLIROESA-N	1	0	368.437	1.598	20	30		FDEDRO
N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC23CC3)C[C@H]1c1ccccc1	ZINC001211680250	805524254	/nfs/dbraw/zinc/52/42/54/805524254.db2.gz	MXEYKMRDFGCHAL-GVDBMIGSSA-N	1	0	352.438	1.010	20	30		FDEDRO
N#C[C@H]1CN(C(=O)N[C@H](C[NH3+])C2CCCC2)CCN1Cc1ccccc1	ZINC000418593605	806989737	/nfs/dbraw/zinc/98/97/37/806989737.db2.gz	MIVBEPHGBAWLRN-RBUKOAKNSA-N	1	0	355.486	1.923	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1	ZINC000423559530	815116319	/nfs/dbraw/zinc/11/63/19/815116319.db2.gz	NVPYIBSUZIYRNF-BMGDILEWSA-N	1	0	370.453	1.044	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)N[C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1	ZINC000981111459	807568673	/nfs/dbraw/zinc/56/86/73/807568673.db2.gz	NSNPEWXERRGTKJ-GOEBONIOSA-N	1	0	371.485	1.633	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2C)C1	ZINC000981127214	807586633	/nfs/dbraw/zinc/58/66/33/807586633.db2.gz	PXDQZGWNCUDBLA-KSZLIROESA-N	1	0	368.481	1.502	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)c1	ZINC001028048332	807715113	/nfs/dbraw/zinc/71/51/13/807715113.db2.gz	VCTPIPSXJDIMQD-LWYYNNOASA-N	1	0	369.465	1.690	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)Cc2nonc2C)C[C@H]1c1ccccc1	ZINC001211698530	807794657	/nfs/dbraw/zinc/79/46/57/807794657.db2.gz	SSMQPAOBOUMUAE-PKOBYXMFSA-N	1	0	370.453	1.707	20	30		FDEDRO
COc1cc(C[NH2+]CC2(CC#N)CC2)ccc1OCC(=O)N1CCOCC1	ZINC000430073996	815151216	/nfs/dbraw/zinc/15/12/16/815151216.db2.gz	FJAKUORAHBNKBN-UHFFFAOYSA-N	1	0	373.453	1.716	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3CCC[N@@H+](CC)C3)cc2C1=O	ZINC000512056856	807880640	/nfs/dbraw/zinc/88/06/40/807880640.db2.gz	JYEDYYQVDYQDTL-AWEZNQCLSA-N	1	0	355.438	1.930	20	30		FDEDRO
C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000423593568	815165129	/nfs/dbraw/zinc/16/51/29/815165129.db2.gz	MMCKCDSYYLVIBC-INIZCTEOSA-N	1	0	370.453	1.138	20	30		FDEDRO
Cc1csc(=O)n1CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1	ZINC001075696674	815166220	/nfs/dbraw/zinc/16/62/20/815166220.db2.gz	ODBXILIQJVEXHK-XJKSGUPXSA-N	1	0	371.466	1.265	20	30		FDEDRO
C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000423635976	815172644	/nfs/dbraw/zinc/17/26/44/815172644.db2.gz	SAQIHQRMDBHBBA-LSDHHAIUSA-N	1	0	370.453	1.137	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@@H]3CC3(C)C)C2)CC1	ZINC000981544083	808114055	/nfs/dbraw/zinc/11/40/55/808114055.db2.gz	FBHSLSZYQOHNQK-JQHSSLGASA-N	1	0	359.514	1.779	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCc3nnnn3CC1)C2	ZINC001112533271	808162527	/nfs/dbraw/zinc/16/25/27/808162527.db2.gz	ZBZMJRQLNRJDMO-BXWFABGCSA-N	1	0	358.490	1.420	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)C2	ZINC001112533418	808703116	/nfs/dbraw/zinc/70/31/16/808703116.db2.gz	HWFGJMWKOAJZBF-HUUJSLGLSA-N	1	0	372.513	1.945	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C	ZINC000279291360	808729121	/nfs/dbraw/zinc/72/91/21/808729121.db2.gz	JXUXLBBNADLTTM-OAHLLOKOSA-N	1	0	370.453	1.517	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c(C)c[nH]c1CC(N)=O)C2	ZINC001112533622	808757759	/nfs/dbraw/zinc/75/77/59/808757759.db2.gz	WDBMOCXABVZTED-YWZLYKJASA-N	1	0	358.486	1.759	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCN(C(C)=O)C2)C[C@H]1c1ccccc1	ZINC001211715821	809144751	/nfs/dbraw/zinc/14/47/51/809144751.db2.gz	ROFXHWFIGCWAIR-SLFFLAALSA-N	1	0	353.466	1.462	20	30		FDEDRO
C[C@H](CCC[NH3+])NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000418704507	809149449	/nfs/dbraw/zinc/14/94/49/809149449.db2.gz	NBDARZGDJCTESZ-CYBMUJFWSA-N	1	0	372.429	1.765	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1c1ccccc1	ZINC001211718438	809213945	/nfs/dbraw/zinc/21/39/45/809213945.db2.gz	MTTGZOLVDRSXLE-LSDHHAIUSA-N	1	0	350.850	1.382	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1	ZINC000418825861	809247688	/nfs/dbraw/zinc/24/76/88/809247688.db2.gz	KCFPINKDRRYKQG-ROUUACIJSA-N	1	0	359.470	1.461	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1	ZINC000418825856	809247927	/nfs/dbraw/zinc/24/79/27/809247927.db2.gz	KCFPINKDRRYKQG-MSOLQXFVSA-N	1	0	359.470	1.461	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1c1ccccc1	ZINC001211722338	809306664	/nfs/dbraw/zinc/30/66/64/809306664.db2.gz	GFYKCVSEQZAIMW-SESVDKBCSA-N	1	0	369.509	1.562	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1	ZINC001087440178	809353464	/nfs/dbraw/zinc/35/34/64/809353464.db2.gz	MWNLWYDDXLQEJP-SJLPKXTDSA-N	1	0	352.438	1.888	20	30		FDEDRO
C=CC[C@H](CC)NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1	ZINC000419130526	809592207	/nfs/dbraw/zinc/59/22/07/809592207.db2.gz	CHYXNQPIYFWDLG-SZMVWBNQSA-N	1	0	359.470	1.728	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000419199224	809659979	/nfs/dbraw/zinc/65/99/79/809659979.db2.gz	DHOKEEXDCJFQHX-LIRRHRJNSA-N	1	0	362.433	1.881	20	30		FDEDRO
CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)[C@@H]([NH3+])CCCC#N	ZINC000424101057	815307715	/nfs/dbraw/zinc/30/77/15/815307715.db2.gz	MDSOWWPHEAFFNZ-JSGCOSHPSA-N	1	0	373.375	1.925	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1	ZINC000424144061	815317268	/nfs/dbraw/zinc/31/72/68/815317268.db2.gz	RPARXGNITVEKAF-SFHVURJKSA-N	1	0	356.470	1.605	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@](C)(NC(C)=O)C(C)C)C[C@H]1c1ccccc1	ZINC001211732526	809797040	/nfs/dbraw/zinc/79/70/40/809797040.db2.gz	MKNMHMBFTNZMRI-ZVDOUQERSA-N	1	0	355.482	1.755	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1c1ccccc1	ZINC001211732588	809813821	/nfs/dbraw/zinc/81/38/21/809813821.db2.gz	PJLDOGAJUGMCFH-ZWKOTPCHSA-N	1	0	368.481	1.888	20	30		FDEDRO
C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1	ZINC000893957645	809834147	/nfs/dbraw/zinc/83/41/47/809834147.db2.gz	PWHYYSAURJHKKM-BFWZDYSYSA-N	1	0	369.469	1.989	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O	ZINC000424168589	815322321	/nfs/dbraw/zinc/32/23/21/815322321.db2.gz	IONFJBCWVKGWEE-JKSUJKDBSA-N	1	0	364.396	1.593	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1	ZINC001087445778	809851751	/nfs/dbraw/zinc/85/17/51/809851751.db2.gz	PBOIHBXJLUIOOW-RCCFBDPRSA-N	1	0	369.465	1.590	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NCc1ccc(NC(=O)c2ccncc2)cc1	ZINC000424159390	815320637	/nfs/dbraw/zinc/32/06/37/815320637.db2.gz	SMYUEGPWMMVIOO-KRWDZBQOSA-N	1	0	351.410	1.971	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)ccn2)C[C@H]1c1ccccc1	ZINC001211743754	809955961	/nfs/dbraw/zinc/95/59/61/809955961.db2.gz	KHRAVZCUBNKUQR-PKOBYXMFSA-N	1	0	364.449	1.954	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2[nH]cnc2C)C[C@H]1c1ccccc1	ZINC001211743820	809956543	/nfs/dbraw/zinc/95/65/43/809956543.db2.gz	MGTUKNQOIWEYKU-ZWKOTPCHSA-N	1	0	352.438	1.566	20	30		FDEDRO
CC(C)N1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)C1=O	ZINC001075698181	815333753	/nfs/dbraw/zinc/33/37/53/815333753.db2.gz	SUSVYEIWNPHQEX-IAOVAPTHSA-N	1	0	355.442	1.042	20	30		FDEDRO
Cc1c(C(=O)N2CC[C@H]3CN(Cc4ccc(F)c(C#N)c4)C[C@H]32)nnn1C	ZINC001075640374	810121055	/nfs/dbraw/zinc/12/10/55/810121055.db2.gz	IFINGRUABBAQFC-WMLDXEAASA-N	1	0	368.416	1.481	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(C)nc1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1	ZINC000261736028	810552876	/nfs/dbraw/zinc/55/28/76/810552876.db2.gz	KADCFVIDEICGGO-IBGZPJMESA-N	1	0	372.473	1.166	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCCc2nc(C)no2)C1	ZINC001028548878	810617159	/nfs/dbraw/zinc/61/71/59/810617159.db2.gz	JNUUWDVHVOWKRY-ZACQAIPSSA-N	1	0	362.474	1.730	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(C[NH+](C)C)c2)c1	ZINC000047460273	810785447	/nfs/dbraw/zinc/78/54/47/810785447.db2.gz	RPJYLOHTHPTMMC-UHFFFAOYSA-N	1	0	371.462	1.912	20	30		FDEDRO
Cc1csc(=O)n1CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1	ZINC001075658563	810908865	/nfs/dbraw/zinc/90/88/65/810908865.db2.gz	IIFVXUDPTNFWAW-GOEBONIOSA-N	1	0	371.466	1.265	20	30		FDEDRO
C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1	ZINC001075658625	810908890	/nfs/dbraw/zinc/90/88/90/810908890.db2.gz	LDNKRGKVOYBAIT-UWWQBHOKSA-N	1	0	369.469	1.434	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CN2CN=NC2=O)C1	ZINC001087463584	811101122	/nfs/dbraw/zinc/10/11/22/811101122.db2.gz	QLYMAYHBOZNCBK-IAGOWNOFSA-N	1	0	371.416	1.120	20	30		FDEDRO
C=CCCn1cc(C(=O)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)nn1	ZINC000424742137	815424291	/nfs/dbraw/zinc/42/42/91/815424291.db2.gz	UUTSSPCFWFSAFM-OAHLLOKOSA-N	1	0	355.446	1.642	20	30		FDEDRO
C[C@@H](C[N@@H+]1C[C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@]2(C)C1)CS(C)(=O)=O	ZINC001101232300	811203226	/nfs/dbraw/zinc/20/32/26/811203226.db2.gz	PQIWGNSVRPYAQV-FCEWJHQRSA-N	1	0	368.543	1.497	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCc4ccccc43)C[C@@H]2O)c1	ZINC001083392601	811207279	/nfs/dbraw/zinc/20/72/79/811207279.db2.gz	QOLIWSWGPHGHAK-AHRSYUTCSA-N	1	0	364.449	1.781	20	30		FDEDRO
C=CCCn1cc(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)nn1	ZINC000424766077	815433478	/nfs/dbraw/zinc/43/34/78/815433478.db2.gz	TVQUGCDEKFWIIV-KRWDZBQOSA-N	1	0	355.442	1.351	20	30		FDEDRO
C[NH+]=C(NCc1cccc(N(C)C)n1)N[C@H]1CCC[C@@H](C(=O)N(C)C)C1	ZINC000261833433	811329639	/nfs/dbraw/zinc/32/96/39/811329639.db2.gz	VOLSBVBZJOWZMW-CABCVRRESA-N	1	0	360.506	1.460	20	30		FDEDRO
Cc1nnc(CNC(=[NH+]C2CC2)N2CC[C@H](C)[C@@H](n3ccnc3)C2)n1C	ZINC000261955843	811352486	/nfs/dbraw/zinc/35/24/86/811352486.db2.gz	ISAJHVLCKKFTLK-BBRMVZONSA-N	1	0	356.478	1.511	20	30		FDEDRO
C[NH+]=C(NCc1ccc(N(C)C)nc1)N1CC[C@H](Oc2ccccn2)C1	ZINC000261970935	811357759	/nfs/dbraw/zinc/35/77/59/811357759.db2.gz	MTWLTNZHTDQCFK-INIZCTEOSA-N	1	0	354.458	1.771	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@@H]1CCN(c2ccccn2)C1)=[NH+]C1CCCC1	ZINC000262315084	811439525	/nfs/dbraw/zinc/43/95/25/811439525.db2.gz	QLJPBSOQTBMLRN-MRXNPFEDSA-N	1	0	358.490	1.226	20	30		FDEDRO
C[NH+]=C(NCc1ccc(-n2nc(C)cc2C)nc1)N1CC[C@@H](COC)C1	ZINC000262429492	811465976	/nfs/dbraw/zinc/46/59/76/811465976.db2.gz	DOROKJPPDGUEJA-QGZVFWFLSA-N	1	0	356.474	1.928	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N[C@H]1CCc2ccccc2C1	ZINC000262525020	811483680	/nfs/dbraw/zinc/48/36/80/811483680.db2.gz	RLFLQQKIRFQTFG-QAPCUYQASA-N	1	0	352.486	1.871	20	30		FDEDRO
COc1ccccc1N1CCN(C(NCC(=O)N(C)C)=[NH+]C2CC2)CC1	ZINC000262574513	811496927	/nfs/dbraw/zinc/49/69/27/811496927.db2.gz	NXJSOOFRBZDOPX-UHFFFAOYSA-N	1	0	359.474	1.013	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N(C)Cc1ccccc1OC	ZINC000262751339	811546067	/nfs/dbraw/zinc/54/60/67/811546067.db2.gz	CADFGZAQNGFSAR-HNNXBMFYSA-N	1	0	356.474	1.865	20	30		FDEDRO
C[NH+]=C(NC[C@@H](O)C1CCCCC1)N[C@@H]1CCCN(c2ncccn2)C1	ZINC000262767427	811548314	/nfs/dbraw/zinc/54/83/14/811548314.db2.gz	GNWVIPVNOXZMFW-IAGOWNOFSA-N	1	0	360.506	1.552	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@H]3CN(Cc4cc(CO)ccc4F)C[C@H]32)[nH]1	ZINC001075700645	815469438	/nfs/dbraw/zinc/46/94/38/815469438.db2.gz	YQQRNGKFHWXBKW-IFXJQAMLSA-N	1	0	368.412	1.864	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000982865914	811747390	/nfs/dbraw/zinc/74/73/90/811747390.db2.gz	KBVXSDPMZTWNII-ZYSHUDEJSA-N	1	0	357.498	1.342	20	30		FDEDRO
N#Cc1ccc(C[C@@H](C#N)C(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1	ZINC000280631227	811885787	/nfs/dbraw/zinc/88/57/87/811885787.db2.gz	YWLKOAHUNLMICA-FQEVSTJZSA-N	1	0	366.465	1.811	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1	ZINC000982898717	811905832	/nfs/dbraw/zinc/90/58/32/811905832.db2.gz	VFWDBEFKNOWEOH-NXHRZFHOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)NCCc2cccc(C#N)c2)cc1	ZINC000419708740	812099650	/nfs/dbraw/zinc/09/96/50/812099650.db2.gz	NVWIQLMNBLXFNS-CQSZACIVSA-N	1	0	350.422	1.553	20	30		FDEDRO
N#Cc1cccc(CCNC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)c1	ZINC000419714408	812128655	/nfs/dbraw/zinc/12/86/55/812128655.db2.gz	XWLRUWOUYIRKDU-UHFFFAOYSA-N	1	0	364.449	1.595	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)NC1CCC([NH3+])CC1	ZINC000419868785	812265278	/nfs/dbraw/zinc/26/52/78/812265278.db2.gz	JAYSHWSDYNREJL-HIEASXQVSA-N	1	0	354.454	1.671	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1	ZINC000420002329	813392753	/nfs/dbraw/zinc/39/27/53/813392753.db2.gz	RCHYYAKLUZFJCD-KZNAEPCWSA-N	1	0	354.454	1.543	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)N[C@H]3CCCC[C@H]3C[NH3+])CC2)cc1	ZINC000420065303	813448504	/nfs/dbraw/zinc/44/85/04/813448504.db2.gz	PMCVEUGVLACBDT-OALUTQOASA-N	1	0	366.465	1.808	20	30		FDEDRO
C=C1CCC(C(=O)NC[C@@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)CC1	ZINC000982927796	813481564	/nfs/dbraw/zinc/48/15/64/813481564.db2.gz	VEOWPQVGQPOZOG-SOLBZPMBSA-N	1	0	363.502	1.417	20	30		FDEDRO
CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1	ZINC000420151689	813512959	/nfs/dbraw/zinc/51/29/59/813512959.db2.gz	YQLLFSOTDFXLLS-IRXDYDNUSA-N	1	0	358.442	1.092	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCCC1=CC[NH2+]CC1	ZINC000420171237	813527094	/nfs/dbraw/zinc/52/70/94/813527094.db2.gz	ZDPDRVSCTPSENN-UHFFFAOYSA-N	1	0	352.438	1.499	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC[C@@H]2CCCO2)C1	ZINC001104163485	813600876	/nfs/dbraw/zinc/60/08/76/813600876.db2.gz	JBKWXDAIVPJPDR-KURKYZTESA-N	1	0	363.502	1.015	20	30		FDEDRO
CC(C)(CC#N)CNC(=O)C(=O)NCc1ccccc1C[NH+]1CCCC1	ZINC000421029198	813914136	/nfs/dbraw/zinc/91/41/36/813914136.db2.gz	ILCUEHMMGUKREQ-UHFFFAOYSA-N	1	0	356.470	1.955	20	30		FDEDRO
C[NH+]=C(NCc1c[nH]nc1C)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1	ZINC000261833197	813917520	/nfs/dbraw/zinc/91/75/20/813917520.db2.gz	VSZSRLQLQHLSKA-UHFFFAOYSA-N	1	0	374.876	1.791	20	30		FDEDRO
COc1ccc(C[NH2+][C@H]2CCc3nnnn3CC2)cc1OCCCC#N	ZINC000421392443	814130406	/nfs/dbraw/zinc/13/04/06/814130406.db2.gz	BQMZQSXPWTXNFL-HNNXBMFYSA-N	1	0	356.430	1.859	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000271777826	814476805	/nfs/dbraw/zinc/47/68/05/814476805.db2.gz	GKXLQJMODVYPQK-UBQVSUSGSA-N	1	0	364.446	1.548	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[C@H](OCC)C1	ZINC000983132591	814800773	/nfs/dbraw/zinc/80/07/73/814800773.db2.gz	KBPDKRXVLJAASD-ARFHVFGLSA-N	1	0	351.491	1.130	20	30		FDEDRO
Cc1c(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)cnn1CCC#N	ZINC001126413131	814885574	/nfs/dbraw/zinc/88/55/74/814885574.db2.gz	BGJTZXNNHKJVRD-UHFFFAOYSA-N	1	0	354.414	1.518	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1	ZINC001028806913	815756624	/nfs/dbraw/zinc/75/66/24/815756624.db2.gz	SPMZKMBIBFCFNY-JCGIZDLHSA-N	1	0	354.454	1.221	20	30		FDEDRO
C[C@H]1CN(Cc2cn(CCC#N)nc2-c2ccncc2)CC[N@@H+]1CCO	ZINC000434985385	815869656	/nfs/dbraw/zinc/86/96/56/815869656.db2.gz	ALPCOZBORVJWBF-INIZCTEOSA-N	1	0	354.458	1.357	20	30		FDEDRO
C=CCOc1ccc(CC(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)cc1	ZINC000425315255	815987965	/nfs/dbraw/zinc/98/79/65/815987965.db2.gz	WMXLPEHUSUQBKA-LJQANCHMSA-N	1	0	371.481	1.605	20	30		FDEDRO
C=CCOC[C@@H](NC(=O)c1oc2ccccc2c1C[NH+](C)C)C(=O)OC	ZINC000435950866	816259108	/nfs/dbraw/zinc/25/91/08/816259108.db2.gz	SZAUIFAMACTCNY-OAHLLOKOSA-N	1	0	360.410	1.968	20	30		FDEDRO
C=CCn1cc(CNC(=O)NCc2cccc(OCC[NH+](C)C)c2)nn1	ZINC000425427398	816274426	/nfs/dbraw/zinc/27/44/26/816274426.db2.gz	UMEBOKPQRTYZGH-UHFFFAOYSA-N	1	0	358.446	1.404	20	30		FDEDRO
Cc1cc(C(=O)NCCCC[NH+]2CCOCC2)nn1-c1cccc(C#N)c1	ZINC000505784583	816400283	/nfs/dbraw/zinc/40/02/83/816400283.db2.gz	XWZJFSGFBNFANX-UHFFFAOYSA-N	1	0	367.453	1.895	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccn(CC[NH+](C)C)n1	ZINC000516489000	816859342	/nfs/dbraw/zinc/85/93/42/816859342.db2.gz	SGLDXRYVQPFRGD-UHFFFAOYSA-N	1	0	355.442	1.605	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000425870089	817269490	/nfs/dbraw/zinc/26/94/90/817269490.db2.gz	VZFGZVPTJDZBHC-HKUYNNGSSA-N	1	0	371.481	1.475	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1	ZINC000425877922	817281188	/nfs/dbraw/zinc/28/11/88/817281188.db2.gz	XIBYYFUZYYWGMB-HKUYNNGSSA-N	1	0	371.481	1.258	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1	ZINC000425881863	817298219	/nfs/dbraw/zinc/29/82/19/817298219.db2.gz	DCAKHWYKMVAWJF-CKEIUWERSA-N	1	0	354.454	1.819	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C	ZINC000437930490	817402568	/nfs/dbraw/zinc/40/25/68/817402568.db2.gz	JFQJABAMDJNFIW-IXDOHACOSA-N	1	0	368.522	1.359	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1	ZINC000438006736	817431723	/nfs/dbraw/zinc/43/17/23/817431723.db2.gz	NVOGREVDVSFIMU-FUHWJXTLSA-N	1	0	366.506	1.163	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)cc1	ZINC000518519499	817914008	/nfs/dbraw/zinc/91/40/08/817914008.db2.gz	VMRRHYLTALUVDM-HZPDHXFCSA-N	1	0	372.446	1.459	20	30		FDEDRO
C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1	ZINC000439397393	817958072	/nfs/dbraw/zinc/95/80/72/817958072.db2.gz	PLMNSFJZAAEDJU-ZDUSSCGKSA-N	1	0	359.430	1.276	20	30		FDEDRO
CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+]Cc2cccc(C#N)c2)c1	ZINC000518799248	818013414	/nfs/dbraw/zinc/01/34/14/818013414.db2.gz	LVXGCHQUEOZEIO-ZDUSSCGKSA-N	1	0	372.450	1.583	20	30		FDEDRO
C[NH+]=C(NCc1cn2ccccc2n1)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000262033325	818099809	/nfs/dbraw/zinc/09/98/09/818099809.db2.gz	XJNOTAXHKAFPGX-UHFFFAOYSA-N	1	0	356.474	1.741	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2ncn(C)n2)C1	ZINC001087474198	818247635	/nfs/dbraw/zinc/24/76/35/818247635.db2.gz	QLXWOAOBGJFGEB-ROUUACIJSA-N	1	0	367.453	1.435	20	30		FDEDRO
COc1ccc([C@@H]2CCN(CC#N)C[C@@H]2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1	ZINC001087474564	818266207	/nfs/dbraw/zinc/26/62/07/818266207.db2.gz	MOVFBNGVBZJNCQ-XCLNPWKQSA-N	1	0	370.497	1.833	20	30		FDEDRO
CC1(C)CC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC(=O)NCC#N)C1	ZINC001112148427	818340281	/nfs/dbraw/zinc/34/02/81/818340281.db2.gz	NSDPQADNRJHTSS-IJLUTSLNSA-N	1	0	360.380	1.041	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)C[C@H]1C(=O)Nc2c1cccc2Br	ZINC000827972292	818363868	/nfs/dbraw/zinc/36/38/68/818363868.db2.gz	YJVMEAMJFDLLNG-GFCCVEGCSA-N	1	0	364.243	1.556	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C(N)=O)cc2)C1	ZINC000983697212	818594748	/nfs/dbraw/zinc/59/47/48/818594748.db2.gz	BHTSAYPSCWMMHA-OWYHZJEWSA-N	1	0	371.481	1.751	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1	ZINC000983701828	818622772	/nfs/dbraw/zinc/62/27/72/818622772.db2.gz	SLMHUGQTUSQARC-KMFMINBZSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]Cc2csnn2)CC1	ZINC001029146217	818934188	/nfs/dbraw/zinc/93/41/88/818934188.db2.gz	NNIWBAYLFKUJJY-MAZHCROVSA-N	1	0	350.488	1.846	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]Cc2cnns2)CC1	ZINC001029146596	818935027	/nfs/dbraw/zinc/93/50/27/818935027.db2.gz	SYNHNIMEXAUNDV-MAZHCROVSA-N	1	0	350.488	1.846	20	30		FDEDRO
COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000519903278	819119728	/nfs/dbraw/zinc/11/97/28/819119728.db2.gz	QRORMGKEKGSIIK-CRAIPNDOSA-N	1	0	372.469	1.038	20	30		FDEDRO
C=CCN1CC[C@@H](N2CC[C@H](NC(=O)c3cnc(C)cn3)[C@H]2CC)C1=O	ZINC001087491972	819141866	/nfs/dbraw/zinc/14/18/66/819141866.db2.gz	ZNSBMHXDDOXRNU-USXIJHARSA-N	1	0	357.458	1.155	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C#CC2CC2)[C@H](CNC(=O)[C@@H]2CCCc3nccn32)C1	ZINC000983789547	819521220	/nfs/dbraw/zinc/52/12/20/819521220.db2.gz	FFVJIJHRVLLYGV-NJAFHUGGSA-N	1	0	368.481	1.917	20	30		FDEDRO
Cc1cc([C@@H]2CCCN(C(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)C2)[nH]n1	ZINC000328734937	819550098	/nfs/dbraw/zinc/55/00/98/819550098.db2.gz	KLBIHMJZOHHTNY-DOTOQJQBSA-N	1	0	362.522	1.695	20	30		FDEDRO
Cn1cc([C@H]2CN(C(=O)N[C@H]3CCC[C@@H]([NH+](C)C)C3)C[C@@H]2C(N)=O)cn1	ZINC000328996203	819607658	/nfs/dbraw/zinc/60/76/58/819607658.db2.gz	GPEWVGPFDQBIDF-JJXSEGSLSA-N	1	0	362.478	1.758	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)C[C@H]21	ZINC001075780112	819616378	/nfs/dbraw/zinc/61/63/78/819616378.db2.gz	CQSWJSYCMQXQDU-ZWKOTPCHSA-N	1	0	352.434	1.904	20	30		FDEDRO
COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O	ZINC000330921984	819658361	/nfs/dbraw/zinc/65/83/61/819658361.db2.gz	QWMWSHDAQWXPOJ-DRRXZNNHSA-N	1	0	369.506	1.703	20	30		FDEDRO
COC(=O)c1cc(CNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)oc1C	ZINC000331220420	819672342	/nfs/dbraw/zinc/67/23/42/819672342.db2.gz	JKNRTQVSEXFCSV-GFCCVEGCSA-N	1	0	367.446	1.566	20	30		FDEDRO
Cn1ccc(CC(=O)N2CC[C@H]3CN(Cc4cc(F)ccc4C#N)C[C@H]32)n1	ZINC001075782516	819700438	/nfs/dbraw/zinc/70/04/38/819700438.db2.gz	DMWOOHSCYPEPFS-HNAYVOBHSA-N	1	0	367.428	1.706	20	30		FDEDRO
CO[C@H]1COCC[C@@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000458976763	819759138	/nfs/dbraw/zinc/75/91/38/819759138.db2.gz	DBIUEJYIJDTRNH-MOPGFXCFSA-N	1	0	374.485	1.683	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCNC(=O)C2CC2)C1	ZINC001112156934	819989184	/nfs/dbraw/zinc/98/91/84/819989184.db2.gz	IPKMKLGUARBIGH-ZIAGYGMSSA-N	1	0	361.408	1.848	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCC4)C[C@@H]2O)[nH]1	ZINC001083413416	820004024	/nfs/dbraw/zinc/00/40/24/820004024.db2.gz	MRFYZUIOLGRLRL-MOPGFXCFSA-N	1	0	350.422	1.350	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2nccnc2N)CCN1Cc1ccc(C#N)c(F)c1	ZINC001087524857	820470256	/nfs/dbraw/zinc/47/02/56/820470256.db2.gz	QXIAKNQSGDWCSU-JKSUJKDBSA-N	1	0	368.416	1.852	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c(OC)c1	ZINC000520720433	820473037	/nfs/dbraw/zinc/47/30/37/820473037.db2.gz	LWPIGEHSQLARCS-INIZCTEOSA-N	1	0	361.486	1.555	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(C#N)cc3)C2)O1	ZINC000984011323	820517758	/nfs/dbraw/zinc/51/77/58/820517758.db2.gz	CBZDWFAIFPTUTF-UTRMSSBJSA-N	1	0	356.470	1.262	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1	ZINC000520771092	820666572	/nfs/dbraw/zinc/66/65/72/820666572.db2.gz	PKTZQVRRUIAGMP-QZTJIDSGSA-N	1	0	369.469	1.348	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC000984080537	820740082	/nfs/dbraw/zinc/74/00/82/820740082.db2.gz	FNVCTLLCTLQOLC-INMHGKMJSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C(=O)OCC)c2)CC1	ZINC000442291200	821124019	/nfs/dbraw/zinc/12/40/19/821124019.db2.gz	CECUQFDPDVCOJH-UHFFFAOYSA-N	1	0	359.426	1.568	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000521204689	821142016	/nfs/dbraw/zinc/14/20/16/821142016.db2.gz	HRKPELKFMVINSG-WTGUMLROSA-N	1	0	373.497	1.902	20	30		FDEDRO
COC[C@@H](C)NC(=O)NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C	ZINC000521196516	821148706	/nfs/dbraw/zinc/14/87/06/821148706.db2.gz	LIHCKLUSYPPLNB-OAHLLOKOSA-N	1	0	360.458	1.877	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c(C)ncc3C2)C[C@H]1C(F)(F)F	ZINC001112166204	821695819	/nfs/dbraw/zinc/69/58/19/821695819.db2.gz	JHQGRYBFXUSSFQ-NUEKZKHPSA-N	1	0	368.403	1.756	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCN(C)C2=O)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087612978	821708964	/nfs/dbraw/zinc/70/89/64/821708964.db2.gz	ORCXGAAJPAEXHR-CEXWTWQISA-N	1	0	368.481	1.896	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC(=O)N2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087615310	821753368	/nfs/dbraw/zinc/75/33/68/821753368.db2.gz	OAKWGXVKQOZYPB-RCCFBDPRSA-N	1	0	354.454	1.696	20	30		FDEDRO
C#CCC1(NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)CCOCC1	ZINC000895233925	822009174	/nfs/dbraw/zinc/00/91/74/822009174.db2.gz	ASMOXPKBGBAFEU-AWEZNQCLSA-N	1	0	353.463	1.130	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000984264427	822032238	/nfs/dbraw/zinc/03/22/38/822032238.db2.gz	KYPSAASCEUZRJZ-FGTMMUONSA-N	1	0	371.485	1.680	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000984265763	822059569	/nfs/dbraw/zinc/05/95/69/822059569.db2.gz	QEZLCXJCQRQLST-XYJFISCASA-N	1	0	371.485	1.680	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087727240	822251378	/nfs/dbraw/zinc/25/13/78/822251378.db2.gz	MTYNKBQPQWRRPZ-VVLHAWIVSA-N	1	0	374.510	1.813	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccn(CC)n3)[C@H]2CC)C1=O	ZINC001087749160	822357821	/nfs/dbraw/zinc/35/78/21/822357821.db2.gz	WKDCSEVKTFZTNV-UAGQMJEPSA-N	1	0	359.474	1.273	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)CC1	ZINC000524687027	828425985	/nfs/dbraw/zinc/42/59/85/828425985.db2.gz	WZKVLUUMIIXUKE-GFCCVEGCSA-N	1	0	362.380	1.422	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](C[C@H](OC)C3CCC3)[C@@H]2CC)nn1	ZINC001087754108	822368573	/nfs/dbraw/zinc/36/85/73/822368573.db2.gz	OEZHSTDYFUQSKD-JQHSSLGASA-N	1	0	361.490	1.862	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(CO)cc3)[C@@H]2CC)nn1	ZINC001087754232	822369413	/nfs/dbraw/zinc/36/94/13/822369413.db2.gz	UTDVGJBESQTMSI-PKOBYXMFSA-N	1	0	369.469	1.739	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1C(F)(F)F	ZINC001112167695	822411493	/nfs/dbraw/zinc/41/14/93/822411493.db2.gz	ZMIWUTRHNFMNCA-ZIAGYGMSSA-N	1	0	359.396	1.693	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)Cn2cncn2)CC[N@@H+]1Cc1ccc(C#N)c(F)c1	ZINC001087820219	822498767	/nfs/dbraw/zinc/49/87/67/822498767.db2.gz	QZDCWVFBWTVMED-DLBZAZTESA-N	1	0	356.405	1.458	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)n2C)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087842858	822570907	/nfs/dbraw/zinc/57/09/07/822570907.db2.gz	OWJXBOOKHKASQB-DLBZAZTESA-N	1	0	367.453	1.378	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C3CC3)C[C@@H]2O)c[nH]1	ZINC001083418264	822629624	/nfs/dbraw/zinc/62/96/24/822629624.db2.gz	AODOSVCQJDLXNA-MOPGFXCFSA-N	1	0	350.422	1.739	20	30		FDEDRO
CN(CCN1CC[NH+](C)CC1)Cc1ccc(Br)cc1C#N	ZINC001141814853	822635876	/nfs/dbraw/zinc/63/58/76/822635876.db2.gz	SCVIZEHISUSJEW-UHFFFAOYSA-N	1	0	351.292	2.000	20	30		FDEDRO
C[NH+](C)CCn1cc(NC(=O)C2(c3ccc(C#N)cc3)CC2)ccc1=O	ZINC000474256660	822665254	/nfs/dbraw/zinc/66/52/54/822665254.db2.gz	UOZPFEOAKUBIOP-UHFFFAOYSA-N	1	0	350.422	1.952	20	30		FDEDRO
C[C@@]1(C#N)CN(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)CCO1	ZINC000895640946	822684614	/nfs/dbraw/zinc/68/46/14/822684614.db2.gz	PAQCAANTBDUTGF-GOSISDBHSA-N	1	0	350.463	1.201	20	30		FDEDRO
O=C(Cn1cccn1)N1C[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)CC[C@@H]2C1	ZINC001087884993	822715562	/nfs/dbraw/zinc/71/55/62/822715562.db2.gz	SLSVDSHOFBFCHE-MOPGFXCFSA-N	1	0	366.440	1.854	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cccn4C)C[C@@H]3C2)C1=O	ZINC001087887258	822723550	/nfs/dbraw/zinc/72/35/50/822723550.db2.gz	XBBGSGZHHPEEQY-SOLBZPMBSA-N	1	0	356.470	1.206	20	30		FDEDRO
C#CC[NH+]1CCC(Nc2ccc(Br)cc2S(N)(=O)=O)CC1	ZINC000895811055	822749524	/nfs/dbraw/zinc/74/95/24/822749524.db2.gz	MRLPTPBOZBPYOA-UHFFFAOYSA-N	1	0	372.288	1.606	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)/C=C(\C)C4CC4)C[C@@H]3C2)C1=O	ZINC001087898021	822755633	/nfs/dbraw/zinc/75/56/33/822755633.db2.gz	BQEPOOYTZLYQHE-KILRLIOJSA-N	1	0	357.498	1.910	20	30		FDEDRO
O=C([C@H]1CCOC1)N1C[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)CC[C@@H]2C1	ZINC001087902561	822779198	/nfs/dbraw/zinc/77/91/98/822779198.db2.gz	FPMHHOVTYYBQFT-QYZOEREBSA-N	1	0	356.441	1.994	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)CC[C@@H]2C1	ZINC001087911454	823771004	/nfs/dbraw/zinc/77/10/04/823771004.db2.gz	VXPWCQQRPZCQNW-UAGQMJEPSA-N	1	0	355.438	1.898	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3nccnc3N)C[C@@H]2C1	ZINC001087913016	823786096	/nfs/dbraw/zinc/78/60/96/823786096.db2.gz	SBPQZJCMYBMEBI-SJORKVTESA-N	1	0	362.437	1.525	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[N@@H+](C[C@@H]4CCc5ncnn54)CC[C@@H]3C2)c1	ZINC001087925072	823935892	/nfs/dbraw/zinc/93/58/92/823935892.db2.gz	WCWSRBABMKCVJQ-PMPSAXMXSA-N	1	0	365.441	1.059	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CCc4nnc[nH]4)C[C@@H]3C2)cc1	ZINC001087925821	823938456	/nfs/dbraw/zinc/93/84/56/823938456.db2.gz	FIFXQNOPHZDKJV-MSOLQXFVSA-N	1	0	364.453	1.589	20	30		FDEDRO
CCn1nnc(C)c1C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C1	ZINC001087938997	824018432	/nfs/dbraw/zinc/01/84/32/824018432.db2.gz	VJAZZLSSWXKBRG-CABCVRRESA-N	1	0	367.457	1.400	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]3C2)C1=O	ZINC001087939007	824019237	/nfs/dbraw/zinc/01/92/37/824019237.db2.gz	VTHHAVLMGUIVJG-VKJFTORMSA-N	1	0	367.453	1.067	20	30		FDEDRO
N#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](C[C@H]4CCc5ncnn54)CC[C@@H]3C2)[nH]1	ZINC001087939057	824019566	/nfs/dbraw/zinc/01/95/66/824019566.db2.gz	XFVZZUGIBSHCHK-IJEWVQPXSA-N	1	0	365.441	1.059	20	30		FDEDRO
COc1ncccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C1	ZINC001087940439	824036944	/nfs/dbraw/zinc/03/69/44/824036944.db2.gz	JKIJAILLVDMKKM-PBHICJAKSA-N	1	0	365.437	1.884	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4coc(C)c4)C[C@@H]3C2)C1=O	ZINC001087945869	824073265	/nfs/dbraw/zinc/07/32/65/824073265.db2.gz	PPLPIEYSNAARTI-NJAFHUGGSA-N	1	0	357.454	1.769	20	30		FDEDRO
CC(C)[C@@H](O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)CC[C@@H]2C1	ZINC001087955653	824143345	/nfs/dbraw/zinc/14/33/45/824143345.db2.gz	YYMDHUQCQGSBQM-HHXXYDBFSA-N	1	0	359.445	1.995	20	30		FDEDRO
Cn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)c(F)c4)CC[C@@H]3C2)nn1	ZINC001087956164	824145081	/nfs/dbraw/zinc/14/50/81/824145081.db2.gz	AZWYVIQZCBYKOE-CVEARBPZSA-N	1	0	368.416	1.420	20	30		FDEDRO
Cn1cnc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4C#N)CC[C@@H]3C2)n1	ZINC001087957415	824154359	/nfs/dbraw/zinc/15/43/59/824154359.db2.gz	QPVGJHXAVBQFRG-SJORKVTESA-N	1	0	350.426	1.281	20	30		FDEDRO
CO[C@@H]1C[N@H+](C[C@H]2CCCC(F)(F)C2)C[C@H]1NC(=O)CSCC#N	ZINC001211886737	824168050	/nfs/dbraw/zinc/16/80/50/824168050.db2.gz	WKDFIOBDRYHRCW-BFHYXJOUSA-N	1	0	361.458	1.884	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H]2C[N@@H+](C[C@H]3CCCS(=O)(=O)C3)CC[C@@H]2C1	ZINC001087961633	824182376	/nfs/dbraw/zinc/18/23/76/824182376.db2.gz	COWTYOXBXBUAFV-KURKYZTESA-N	1	0	364.511	1.005	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H]2C[N@H+](C[C@H](O)Cc3ccc(F)cc3)CC[C@@H]2C1	ZINC001087961892	824183124	/nfs/dbraw/zinc/18/31/24/824183124.db2.gz	OKTWNFKUNKTTAJ-SVFBPWRDSA-N	1	0	370.468	1.923	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC000984634419	824249689	/nfs/dbraw/zinc/24/96/89/824249689.db2.gz	MKVQUIFIKZSBQW-AYOQOUSVSA-N	1	0	368.481	1.466	20	30		FDEDRO
O=C(Cn1nccn1)N1C[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)CC[C@@H]2C1	ZINC001087980468	824346973	/nfs/dbraw/zinc/34/69/73/824346973.db2.gz	ATXQLQCYMXXKBL-MSOLQXFVSA-N	1	0	367.428	1.249	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3[nH]nc4c3cccc4OC)C[C@@H]2C1	ZINC001087982106	824353181	/nfs/dbraw/zinc/35/31/81/824353181.db2.gz	NDHVAEYBHMKOCR-CABCVRRESA-N	1	0	352.438	1.989	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1	ZINC000984670683	824447009	/nfs/dbraw/zinc/44/70/09/824447009.db2.gz	PGOQZFUKQOWQEV-BBWFWOEESA-N	1	0	361.486	1.123	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCOCCCOC)C[C@H]1C(F)(F)F	ZINC001112191410	828650218	/nfs/dbraw/zinc/65/02/18/828650218.db2.gz	XUSBGAQPFJWRMR-ZIAGYGMSSA-N	1	0	352.397	1.985	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccc(OC)n2)C1	ZINC001029846648	828654137	/nfs/dbraw/zinc/65/41/37/828654137.db2.gz	JHCCFTGSLXBEKH-JQHSSLGASA-N	1	0	359.470	1.962	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)C1	ZINC000329020579	824534676	/nfs/dbraw/zinc/53/46/76/824534676.db2.gz	HTCOEOUNTJZUBS-IKGGRYGDSA-N	1	0	366.506	1.344	20	30		FDEDRO
CC(C)[C@H](CNC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C)[NH+]1CCC(C)CC1	ZINC000329059418	824549992	/nfs/dbraw/zinc/54/99/92/824549992.db2.gz	UJHKSPQGSZJMKT-IKGGRYGDSA-N	1	0	365.522	1.959	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)CC1	ZINC000329111369	824600232	/nfs/dbraw/zinc/60/02/32/824600232.db2.gz	GQUFBKGQCBPLEJ-YQVWRLOYSA-N	1	0	369.506	1.263	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1CCC(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1	ZINC000329188731	824653525	/nfs/dbraw/zinc/65/35/25/824653525.db2.gz	PLBVPAGPEYNLTD-CVEARBPZSA-N	1	0	361.490	1.970	20	30		FDEDRO
CC(C)N1C(=O)N[C@@H]2CN(C(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)CC[C@@H]21	ZINC000329207863	824667119	/nfs/dbraw/zinc/66/71/19/824667119.db2.gz	XUWVLOLKRDQVFO-BBWFWOEESA-N	1	0	363.506	1.998	20	30		FDEDRO
O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000329247076	824693233	/nfs/dbraw/zinc/69/32/33/824693233.db2.gz	VZABMZTWXCJMML-HOTGVXAUSA-N	1	0	363.506	1.655	20	30		FDEDRO
C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CCCC1	ZINC000329349043	824748328	/nfs/dbraw/zinc/74/83/28/824748328.db2.gz	WHVPRBXZFZFNDW-UAGQMJEPSA-N	1	0	366.506	1.269	20	30		FDEDRO
C[C@@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C)[C@@H]1CCC[NH+](C2CCC2)C1	ZINC000329372620	824759209	/nfs/dbraw/zinc/75/92/09/824759209.db2.gz	JMFYSUCTYXUVGF-XMTFNYHQSA-N	1	0	366.550	1.940	20	30		FDEDRO
CC(C)[C@H](CNC(=O)N1CCOC[C@@H]1[C@@H]1CCCO1)[NH+]1CCN(C)CC1	ZINC000329414876	824777546	/nfs/dbraw/zinc/77/75/46/824777546.db2.gz	CRSFFFDJIPHLFU-KSZLIROESA-N	1	0	368.522	1.052	20	30		FDEDRO
CC(C)[NH+]1CCN(c2cccc(NC(=O)Cn3ncn(C)c3=O)c2)CC1	ZINC000329451728	824804141	/nfs/dbraw/zinc/80/41/41/824804141.db2.gz	OYDCWDGKMGBWDB-UHFFFAOYSA-N	1	0	358.446	1.400	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000329483655	824829151	/nfs/dbraw/zinc/82/91/51/824829151.db2.gz	FGAFOOCAAIXCSZ-DLBZAZTESA-N	1	0	365.522	1.997	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000896761079	824864790	/nfs/dbraw/zinc/86/47/90/824864790.db2.gz	KAMIPHJNXJKELS-QGZVFWFLSA-N	1	0	354.454	1.554	20	30		FDEDRO
Cc1noc([C@@H]2CCCN2C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)n1	ZINC000329553726	824876697	/nfs/dbraw/zinc/87/66/97/824876697.db2.gz	PWAQTVQXLUJBDL-PMPSAXMXSA-N	1	0	363.462	1.807	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)CN3C(=O)NC(=O)C3(C)C)ccn2)CC1	ZINC000329568143	824888084	/nfs/dbraw/zinc/88/80/84/824888084.db2.gz	PKCAXGHCPWJTIN-UHFFFAOYSA-N	1	0	374.445	1.461	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cn(-c4cccnc4)nn3)C[C@@H]2C1	ZINC001087987394	824896791	/nfs/dbraw/zinc/89/67/91/824896791.db2.gz	IBLLDBUBAHYNNY-CVEARBPZSA-N	1	0	350.426	1.080	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)C[N@@H+]1CCC[C@H]1C	ZINC000984789684	824919047	/nfs/dbraw/zinc/91/90/47/824919047.db2.gz	BPESSDXWRDQFAM-XOKHGSTOSA-N	1	0	357.458	1.480	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)C1CC[NH+](C)CC1	ZINC000984790530	824920884	/nfs/dbraw/zinc/92/08/84/824920884.db2.gz	WAIWBHQHBASKKC-DLBZAZTESA-N	1	0	357.458	1.337	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2C[N@H+]([C@@H](C)C(=O)NC3CC3)CC[C@@H]2C1	ZINC001087993052	824956965	/nfs/dbraw/zinc/95/69/65/824956965.db2.gz	XRISCJGCRGAIDI-BBWFWOEESA-N	1	0	370.497	1.735	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC001088336181	828724151	/nfs/dbraw/zinc/72/41/51/828724151.db2.gz	XNEIKPNKUWAAEO-MCIONIFRSA-N	1	0	350.381	1.880	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC3CCOCC3)CC[C@@H]2C1	ZINC001087997982	825074864	/nfs/dbraw/zinc/07/48/64/825074864.db2.gz	KZLDMHZDDMZENP-AABGKKOBSA-N	1	0	359.514	1.291	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)n(CCC#N)n1	ZINC000525838466	828732796	/nfs/dbraw/zinc/73/27/96/828732796.db2.gz	UHXRHBLQUXEOJV-OAHLLOKOSA-N	1	0	360.462	1.377	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCCNC4=O)C[C@@H]3C2)cc1	ZINC001088002580	825111120	/nfs/dbraw/zinc/11/11/20/825111120.db2.gz	LCLIYZDBYNJYKS-CEXWTWQISA-N	1	0	366.465	1.365	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCCNC4=O)C[C@@H]3C2)c1	ZINC001088002736	825112562	/nfs/dbraw/zinc/11/25/62/825112562.db2.gz	QXKGTYHMWDSARA-QYZOEREBSA-N	1	0	366.465	1.365	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cn[nH]c(=O)c4)C[C@@H]3C2)s1	ZINC001088004603	825129974	/nfs/dbraw/zinc/12/99/74/825129974.db2.gz	JWAGCQZWMZLVKP-OCCSQVGLSA-N	1	0	369.450	1.709	20	30		FDEDRO
CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CC(=O)NC2(C#N)CCC2)C1	ZINC000525886168	828747575	/nfs/dbraw/zinc/74/75/75/828747575.db2.gz	SLLXICIUMBLLHV-CYBMUJFWSA-N	1	0	374.407	1.672	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cn4c(n3)C[C@@H](OC)CC4)C[C@@H]2C1	ZINC001088009891	825213698	/nfs/dbraw/zinc/21/36/98/825213698.db2.gz	AKXPDBLNENPXCI-IKGGRYGDSA-N	1	0	358.486	1.814	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc4ccccn4c3=O)C[C@@H]2C1	ZINC001088016182	825270489	/nfs/dbraw/zinc/27/04/89/825270489.db2.gz	SMCATBVBVAPKFA-CVEARBPZSA-N	1	0	352.438	1.665	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2CC)nc1	ZINC000984894600	825274555	/nfs/dbraw/zinc/27/45/55/825274555.db2.gz	BVKKOHJGLFGFPM-SOLBZPMBSA-N	1	0	354.454	1.124	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2CC)cc1	ZINC000984897970	825292586	/nfs/dbraw/zinc/29/25/86/825292586.db2.gz	BJZZHMATTNHTSO-CEXWTWQISA-N	1	0	353.466	1.729	20	30		FDEDRO
C[NH+](C)C[C@H]1CCN(C(=O)NC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)C1	ZINC000329695436	825322101	/nfs/dbraw/zinc/32/21/01/825322101.db2.gz	DAZPRZBORJPHLD-YUELXQCFSA-N	1	0	363.462	1.965	20	30		FDEDRO
O=C(c1cn[nH]n1)N1C[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)CC[C@@H]2C1	ZINC001088023229	825350329	/nfs/dbraw/zinc/35/03/29/825350329.db2.gz	UYTRYKPQFHUQLU-CVEARBPZSA-N	1	0	353.401	1.389	20	30		FDEDRO
Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21	ZINC000329750808	825425491	/nfs/dbraw/zinc/42/54/91/825425491.db2.gz	VFHHDNYEZCPLSV-BVIKNXMNSA-N	1	0	361.490	1.828	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CCO[C@H]3C(=C)C)C2)C1=O	ZINC000984917289	825432856	/nfs/dbraw/zinc/43/28/56/825432856.db2.gz	RUQPTJAZLRRSIR-TXTZMMAHSA-N	1	0	361.486	1.239	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ncnn2CCC)C1	ZINC000984922797	825454048	/nfs/dbraw/zinc/45/40/48/825454048.db2.gz	ZRZIVIQLMVMIOC-OVWQWFNUSA-N	1	0	361.490	1.654	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC1CC([NH+]2CCCCC2)C1	ZINC000525998849	828784802	/nfs/dbraw/zinc/78/48/02/828784802.db2.gz	FGRXSWSHFZMTQK-UHFFFAOYSA-N	1	0	359.478	1.454	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cnc4cc(OC)ccn43)C[C@@H]2C1	ZINC001088040772	825526698	/nfs/dbraw/zinc/52/66/98/825526698.db2.gz	HJQANZPRQGSDPB-CVEARBPZSA-N	1	0	352.438	1.760	20	30		FDEDRO
Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)on1	ZINC000329901182	825534906	/nfs/dbraw/zinc/53/49/06/825534906.db2.gz	GRDZVJQWWLHYSM-LZWOXQAQSA-N	1	0	365.453	1.636	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2nccn2C)C1	ZINC000329904016	825535756	/nfs/dbraw/zinc/53/57/56/825535756.db2.gz	ISQIOOKXAUPJSW-JYJNAYRXSA-N	1	0	366.485	1.320	20	30		FDEDRO
CC[NH+]1CCN(c2cccc(NC(=O)N3CCN(C(C)=O)C[C@H]3C)c2)CC1	ZINC000329924845	825546118	/nfs/dbraw/zinc/54/61/18/825546118.db2.gz	JIHVWSLOLMEYEI-MRXNPFEDSA-N	1	0	373.501	1.927	20	30		FDEDRO
C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCn3ncnc3C2)CC1	ZINC000329933692	825549899	/nfs/dbraw/zinc/54/98/99/825549899.db2.gz	QFUSZDUEWNGKNY-CQSZACIVSA-N	1	0	355.446	1.628	20	30		FDEDRO
Cn1ccnc1[C@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)CCN1C	ZINC000329989863	825579814	/nfs/dbraw/zinc/57/98/14/825579814.db2.gz	INECRDOISUDJOI-OFLPRAFFSA-N	1	0	362.522	1.743	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C[C@H](C)O[C@@]3(CCOC3)C2)C1	ZINC000330067651	825618042	/nfs/dbraw/zinc/61/80/42/825618042.db2.gz	FTZTZVNLOYZUSF-SCTDSRPQSA-N	1	0	369.506	1.180	20	30		FDEDRO
Cc1nccc(NC(=O)N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1	ZINC000330084225	825625726	/nfs/dbraw/zinc/62/57/26/825625726.db2.gz	BTRHFJCOPXGLQT-MRXNPFEDSA-N	1	0	362.478	1.057	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3c3nccs3)C[C@@H]2C1	ZINC001088053347	825643052	/nfs/dbraw/zinc/64/30/52/825643052.db2.gz	DSEACTSYIHVFJX-IKGGRYGDSA-N	1	0	358.511	1.916	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)C[C@@H]2C1	ZINC001088053269	825643233	/nfs/dbraw/zinc/64/32/33/825643233.db2.gz	BFGYYIMDMPJOOA-CABCVRRESA-N	1	0	355.442	1.301	20	30		FDEDRO
Cn1cnc2c(c1=O)CCN(C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)C2	ZINC000330116812	825649912	/nfs/dbraw/zinc/64/99/12/825649912.db2.gz	WAHRPUBMKVQTSN-QGZVFWFLSA-N	1	0	373.432	1.494	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cn(C)nc3[C@H]3CCOC3)C[C@@H]2C1	ZINC001088054733	825658801	/nfs/dbraw/zinc/65/88/01/825658801.db2.gz	SELXSCNYLPGZKN-IKGGRYGDSA-N	1	0	356.470	1.341	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)CS(=O)(=O)N(CC)CC)C[C@]2(C)C1	ZINC001101380361	825660045	/nfs/dbraw/zinc/66/00/45/825660045.db2.gz	UCHLKNBUJIWQIV-WBVHZDCISA-N	1	0	357.520	1.014	20	30		FDEDRO
O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCOC2(CCOCC2)C1	ZINC000330183859	825710746	/nfs/dbraw/zinc/71/07/46/825710746.db2.gz	QGXNKIQHBFUGLX-UHFFFAOYSA-N	1	0	367.490	1.427	20	30		FDEDRO
CN1CC(=O)N(CC(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)C1=O	ZINC000330202627	825731090	/nfs/dbraw/zinc/73/10/90/825731090.db2.gz	ZOCRXHSPXMRMHU-UHFFFAOYSA-N	1	0	360.414	1.125	20	30		FDEDRO
CC(=O)N1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[C@@H](C)C1	ZINC000330211218	825736280	/nfs/dbraw/zinc/73/62/80/825736280.db2.gz	CWXMEVOAPNAMSK-QGTPRVQTSA-N	1	0	366.506	1.221	20	30		FDEDRO
CC1(C)C(=O)NC(=O)N1CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000330214988	825737190	/nfs/dbraw/zinc/73/71/90/825737190.db2.gz	GPPJTPXEXSXYJW-ZIAGYGMSSA-N	1	0	366.462	1.882	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCC1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1	ZINC000526056651	828820471	/nfs/dbraw/zinc/82/04/71/828820471.db2.gz	HNEVGNLECUJEIL-XNHLSEOASA-N	1	0	359.518	1.180	20	30		FDEDRO
Cc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CC[N@H+](C3CCOCC3)C[C@H]1C)CC2	ZINC000330254640	825768349	/nfs/dbraw/zinc/76/83/49/825768349.db2.gz	JNTGZZXHLDPAAM-UKRRQHHQSA-N	1	0	362.478	1.000	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)CC[C@@H]2C1	ZINC001088065177	825790387	/nfs/dbraw/zinc/79/03/87/825790387.db2.gz	LFMOJRLXHWWUOT-FGTMMUONSA-N	1	0	360.502	1.627	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C2=NO[C@@H](CNC(=O)OC(C)(C)C)C2)CC1	ZINC000281241947	825921466	/nfs/dbraw/zinc/92/14/66/825921466.db2.gz	LWYOMMUHYVKKLE-CQSZACIVSA-N	1	0	366.462	1.423	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CCc2cncnc2C1	ZINC000330333513	825938873	/nfs/dbraw/zinc/93/88/73/825938873.db2.gz	YJRQJBNFXUHCEJ-MSOLQXFVSA-N	1	0	359.474	1.517	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)C3=CCCC3)[C@@H]2CC)CC1	ZINC000984990193	826008001	/nfs/dbraw/zinc/00/80/01/826008001.db2.gz	YALPAKUKWGDRPC-RBUKOAKNSA-N	1	0	357.498	1.938	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H](F)C(C)C)[C@@H]2CC)CC1	ZINC000984990463	826023727	/nfs/dbraw/zinc/02/37/27/826023727.db2.gz	BSWHQULQQUPILT-RCCFBDPRSA-N	1	0	365.493	1.821	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCN(c2ccc(C(=O)OC)s2)CC1	ZINC000909554681	826027061	/nfs/dbraw/zinc/02/70/61/826027061.db2.gz	YQANGSHBZDJODQ-UHFFFAOYSA-N	1	0	351.472	1.691	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C)[nH]c1C)C2	ZINC001112536560	826291698	/nfs/dbraw/zinc/29/16/98/826291698.db2.gz	OIUBRGJFIVLYEU-JXFKEZNVSA-N	1	0	356.470	1.213	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1CC[C@@H](CN2CCOCC2)C1	ZINC000262404584	826376906	/nfs/dbraw/zinc/37/69/06/826376906.db2.gz	OISQNFZHJDAYKE-FJIDUMEYSA-N	1	0	364.534	1.420	20	30		FDEDRO
C[C@@]1(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4C#N)CC[C@@H]3C2)CCNC1=O	ZINC001088104283	826408316	/nfs/dbraw/zinc/40/83/16/826408316.db2.gz	BQUJGCCLSBWNRV-LVCYWYKZSA-N	1	0	366.465	1.365	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCn3nc(C)cc3C)CC[C@@H]2C1	ZINC001088112898	826445692	/nfs/dbraw/zinc/44/56/92/826445692.db2.gz	CLUSJRMBYUZQBB-WCIQWLHISA-N	1	0	372.513	1.871	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(N4CCOCC4)CCCC3)C[C@@H]2C1	ZINC001088126354	826528841	/nfs/dbraw/zinc/52/88/41/826528841.db2.gz	AARPZSKKERVWDX-MOPGFXCFSA-N	1	0	361.530	1.988	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H]3C[N@H+](C[C@H](CC)OC)CC[C@@H]3C2)nn1	ZINC001088135247	826587535	/nfs/dbraw/zinc/58/75/35/826587535.db2.gz	CHWZNVCTQQYPNL-IKGGRYGDSA-N	1	0	361.490	1.673	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C)nc4n[nH]c(C)c43)C[C@@H]2C1	ZINC001088140371	826653316	/nfs/dbraw/zinc/65/33/16/826653316.db2.gz	IGKIWVLNFWRLIJ-CVEARBPZSA-N	1	0	351.454	1.992	20	30		FDEDRO
C=CCc1cc(C[NH+]2CCC3(CC2)C[C@@H](O)CNC3=O)cc(OC)c1O	ZINC000897041873	826824870	/nfs/dbraw/zinc/82/48/70/826824870.db2.gz	NVKLWROUEILXMR-MRXNPFEDSA-N	1	0	360.454	1.592	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CCN1C(=O)[C@H](C)C#N	ZINC000985198956	826852967	/nfs/dbraw/zinc/85/29/67/826852967.db2.gz	FTRZOAYCAQXMSF-UKPHBRMFSA-N	1	0	366.425	1.536	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(N4CCOCC4)CCC3)C[C@@H]2C1	ZINC001088156306	826899723	/nfs/dbraw/zinc/89/97/23/826899723.db2.gz	GSXWWXVXZSBJNT-MOPGFXCFSA-N	1	0	361.530	1.988	20	30		FDEDRO
C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]3CC)C[C@@H]2C1	ZINC001088164157	826938944	/nfs/dbraw/zinc/93/89/44/826938944.db2.gz	XQEZGJUNSLILHL-OWCLPIDISA-N	1	0	353.894	1.920	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C(C4CC4)C4CC4)C[C@@H]3C2)C1=O	ZINC001088165735	826945315	/nfs/dbraw/zinc/94/53/15/826945315.db2.gz	UTCNDFFFSICIDJ-QYZOEREBSA-N	1	0	371.525	1.990	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC001059505745	826995014	/nfs/dbraw/zinc/99/50/14/826995014.db2.gz	WEQXSUMDSHUZRG-FHLIZLRMSA-N	1	0	371.485	1.585	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CNC(=O)CC2CCCC2)C[C@H]1C(F)(F)F	ZINC001112179185	827175024	/nfs/dbraw/zinc/17/50/24/827175024.db2.gz	ZZMKHJKPXJKVCH-ZIAGYGMSSA-N	1	0	361.408	1.848	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2cnc(C#N)cn2)CC[N@@H+]1C	ZINC001059515623	827185100	/nfs/dbraw/zinc/18/51/00/827185100.db2.gz	JXFIFVDHFXMLIV-HMGCCCKFSA-N	1	0	368.485	1.695	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCCN(C)C4=O)CC[C@@H]3C2)nc1	ZINC001088174411	827220048	/nfs/dbraw/zinc/22/00/48/827220048.db2.gz	VMNQEQJNZZPJOB-ZIFCJYIRSA-N	1	0	366.465	1.078	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4nnc(C)n4C3)C[C@@H]2C1	ZINC001088210228	827484587	/nfs/dbraw/zinc/48/45/87/827484587.db2.gz	BYLOUWNOYWBHOS-SQNIBIBYSA-N	1	0	357.502	1.895	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c(C)nn(C)c4n3)C[C@@H]2C1	ZINC001088213367	827509232	/nfs/dbraw/zinc/50/92/32/827509232.db2.gz	XVPOJDMKYAFRBB-CVEARBPZSA-N	1	0	351.454	1.694	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2nc3ncccn3n2)C[C@H]1C(F)(F)F	ZINC001112182181	827598944	/nfs/dbraw/zinc/59/89/44/827598944.db2.gz	TWRWENWGKJWVRX-VXGBXAGGSA-N	1	0	368.363	1.683	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(C(=O)NCc2nc(C#N)cs2)CC1	ZINC000897277487	827641874	/nfs/dbraw/zinc/64/18/74/827641874.db2.gz	HWIBDJLWMWPMKC-UHFFFAOYSA-N	1	0	358.427	1.450	20	30		FDEDRO
CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000843783914	827760141	/nfs/dbraw/zinc/76/01/41/827760141.db2.gz	CFYQPXOKBZSLEZ-FMQUCBEESA-N	1	0	370.453	1.623	20	30		FDEDRO
CC[NH+]=C(NCc1c(C)nn(C)c1C)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000179086590	827916303	/nfs/dbraw/zinc/91/63/03/827916303.db2.gz	VKQYGDBDUMCGSC-KRWDZBQOSA-N	1	0	362.522	1.157	20	30		FDEDRO
C=C(C)C(=O)OCCNc1ccc(S(=O)(=O)C2CC[NH2+]CC2)cc1	ZINC001168072329	827921289	/nfs/dbraw/zinc/92/12/89/827921289.db2.gz	XTKCXUSHJCPHRR-UHFFFAOYSA-N	1	0	352.456	1.744	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)[C@H]2CC)c1	ZINC000985492410	828021905	/nfs/dbraw/zinc/02/19/05/828021905.db2.gz	FIJFMJVVCGAZIR-AYOQOUSVSA-N	1	0	368.481	1.657	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)CCn2nc(C)nc2C)CC1	ZINC000985667322	828877257	/nfs/dbraw/zinc/87/72/57/828877257.db2.gz	PFEMUSKMHAUZRY-MSOLQXFVSA-N	1	0	361.490	1.409	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]Cc1cn(C)nc1C(F)F	ZINC001168101401	829226689	/nfs/dbraw/zinc/22/66/89/829226689.db2.gz	SPHLIWSMBKYBGL-ZFWWWQNUSA-N	1	0	356.417	1.935	20	30		FDEDRO
C[C@@H]1C[C@@]1(C#N)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000448935150	829312275	/nfs/dbraw/zinc/31/22/75/829312275.db2.gz	GSAUUSDJUQYYRH-ZTQAJYAQSA-N	1	0	354.454	1.550	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)CN1CCC[N@H+](C[C@H]2CCCO2)CC1	ZINC000528349511	829362290	/nfs/dbraw/zinc/36/22/90/829362290.db2.gz	IPJFUMHSCCVRHZ-RTBURBONSA-N	1	0	359.470	1.485	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC(=O)N2CCCC2)C1	ZINC001088384610	829378598	/nfs/dbraw/zinc/37/85/98/829378598.db2.gz	LFBNYNGZELDKKH-KURKYZTESA-N	1	0	363.502	1.561	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1	ZINC000528424076	829404284	/nfs/dbraw/zinc/40/42/84/829404284.db2.gz	WRVDDGUMTYYYGX-UHOSZYNNSA-N	1	0	369.465	1.773	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)CC1	ZINC000528448738	829412268	/nfs/dbraw/zinc/41/22/68/829412268.db2.gz	LLYDHEABUFHGFR-UHFFFAOYSA-N	1	0	357.454	1.539	20	30		FDEDRO
COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)N[C@H]1C[NH2+]C[C@H]1C#N	ZINC000841209284	829422366	/nfs/dbraw/zinc/42/23/66/829422366.db2.gz	ONUZDZVAQVTIQS-WDMOLILDSA-N	1	0	352.822	1.987	20	30		FDEDRO
CCc1nnc(C2CC[NH+](C[C@@H](O)COc3ccccc3C#N)CC2)[nH]1	ZINC000528479491	829425354	/nfs/dbraw/zinc/42/53/54/829425354.db2.gz	WDSIZUWKAHBINF-MRXNPFEDSA-N	1	0	355.442	1.858	20	30		FDEDRO
CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@H](O)COc3ccccc3C#N)[C@@H]2C1	ZINC000528500711	829428249	/nfs/dbraw/zinc/42/82/49/829428249.db2.gz	CRHZIZMLXRFNEG-OKYOBFRVSA-N	1	0	357.454	1.535	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N(C)[C@@H](C)CC(C)C	ZINC001168110376	829548622	/nfs/dbraw/zinc/54/86/22/829548622.db2.gz	SMZHMQILVXTDTC-LNLFQRSKSA-N	1	0	367.534	1.957	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2cnnn2CC)C1	ZINC001029864558	829608168	/nfs/dbraw/zinc/60/81/68/829608168.db2.gz	QALZBVVVRAIAQQ-NJAFHUGGSA-N	1	0	361.490	1.560	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@@H]3C2)c1	ZINC000985825603	829775043	/nfs/dbraw/zinc/77/50/43/829775043.db2.gz	BWAHVUJRPUGLIL-NEWSRXKRSA-N	1	0	366.465	1.078	20	30		FDEDRO
N#Cc1ccc(OC2CCC(NC(=O)NC3(C[NH3+])CCOCC3)CC2)nc1	ZINC000529321411	829827911	/nfs/dbraw/zinc/82/79/11/829827911.db2.gz	OLNVBNUUEXJROY-UHFFFAOYSA-N	1	0	373.457	1.450	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cc(OC)ccc2OC)[C@@H](O)C1	ZINC001083458370	837404387	/nfs/dbraw/zinc/40/43/87/837404387.db2.gz	KQJLFLNCZIFGMT-AITUJVMLSA-N	1	0	374.481	1.935	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21	ZINC000729811785	837407127	/nfs/dbraw/zinc/40/71/27/837407127.db2.gz	CFIFFQGXYVAPNK-AESZEHBQSA-N	1	0	365.499	1.353	20	30		FDEDRO
O=C1CC[C@@H]2CN(C(NCCc3ccco3)=[NH+]C[C@@H]3CCCCO3)CCN12	ZINC000262671385	829999468	/nfs/dbraw/zinc/99/94/68/829999468.db2.gz	POHBNNPGQWBBJQ-AEFFLSMTSA-N	1	0	374.485	1.643	20	30		FDEDRO
O=C1CC[C@@H]2CN(C(NCCc3ccco3)=[NH+]C[C@@H]3CCOC3)CCN12	ZINC000262677231	830051683	/nfs/dbraw/zinc/05/16/83/830051683.db2.gz	RMCPDZPECLERGD-JKSUJKDBSA-N	1	0	360.458	1.111	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccc(N2CCCS2(=O)=O)cc1	ZINC000729808591	837423541	/nfs/dbraw/zinc/42/35/41/837423541.db2.gz	CUZASCHVDFMIKT-KRWDZBQOSA-N	1	0	362.451	1.481	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1COC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1	ZINC000729812605	837436530	/nfs/dbraw/zinc/43/65/30/837436530.db2.gz	YFVFBJUBMCMQOL-RDJZCZTQSA-N	1	0	360.479	1.922	20	30		FDEDRO
CC(=O)N1CCN(C(=O)C2CC[NH+](CC#Cc3ccc(F)cc3)CC2)CC1	ZINC000451533042	830395756	/nfs/dbraw/zinc/39/57/56/830395756.db2.gz	LGNDCSMLBDJINE-UHFFFAOYSA-N	1	0	371.456	1.580	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)CC1	ZINC000451598481	830404672	/nfs/dbraw/zinc/40/46/72/830404672.db2.gz	OQNRDLWSOQMCSX-BJLQDIEVSA-N	1	0	366.550	1.557	20	30		FDEDRO
CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000451785012	830444122	/nfs/dbraw/zinc/44/41/22/830444122.db2.gz	OOCKBNZGAUURHQ-IXDOHACOSA-N	1	0	364.490	1.000	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)CC[N@@H+]1C	ZINC000986066385	830475318	/nfs/dbraw/zinc/47/53/18/830475318.db2.gz	IOUMHHAGUWYLJL-KANFNMMFSA-N	1	0	357.498	1.437	20	30		FDEDRO
C=CCOc1ccc(CC(=O)NCC(=O)NCC[NH+]2CCCCCC2)cc1	ZINC000452133264	830544301	/nfs/dbraw/zinc/54/43/01/830544301.db2.gz	PDESSBFYYPJSJU-UHFFFAOYSA-N	1	0	373.497	1.902	20	30		FDEDRO
C=CCc1cc(CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)cc(OC)c1OC	ZINC000262230613	837476644	/nfs/dbraw/zinc/47/66/44/837476644.db2.gz	VHKBXDILHQJXJJ-KRWDZBQOSA-N	1	0	363.458	1.148	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2COCCO2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088474263	830850326	/nfs/dbraw/zinc/85/03/26/830850326.db2.gz	FJVGCTVHOOFADN-FHLIZLRMSA-N	1	0	359.426	1.083	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cccc(CC#N)c2)C1	ZINC000453566908	830945013	/nfs/dbraw/zinc/94/50/13/830945013.db2.gz	GCAKABKWSGSLTA-QGZVFWFLSA-N	1	0	358.442	1.164	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)ccc1C#N	ZINC000453588956	830959546	/nfs/dbraw/zinc/95/95/46/830959546.db2.gz	DJPPHAKAYBIOHI-CQSZACIVSA-N	1	0	357.458	1.829	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)ccc1C#N	ZINC000453590140	830960668	/nfs/dbraw/zinc/96/06/68/830960668.db2.gz	GOJDFVIWVDUPBK-MRXNPFEDSA-N	1	0	357.458	1.827	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)ccc1C#N	ZINC000453601866	830963297	/nfs/dbraw/zinc/96/32/97/830963297.db2.gz	IFGDKYMJWZZZCZ-INIZCTEOSA-N	1	0	369.400	1.758	20	30		FDEDRO
C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)C1	ZINC000453657502	830989294	/nfs/dbraw/zinc/98/92/94/830989294.db2.gz	BEOIDOZOEMEYQG-QGZVFWFLSA-N	1	0	354.454	1.881	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)ccc1C#N	ZINC000453708033	831032388	/nfs/dbraw/zinc/03/23/88/831032388.db2.gz	LFAOKNHDRYURKX-MRXNPFEDSA-N	1	0	355.442	1.677	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1cccc(CC#N)c1	ZINC000453730837	831045521	/nfs/dbraw/zinc/04/55/21/831045521.db2.gz	GNSJWROLDRYZDQ-OAHLLOKOSA-N	1	0	370.453	1.403	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)CC[C@@H]3C2)CC[N@@H+]1C	ZINC000986197047	831271663	/nfs/dbraw/zinc/27/16/63/831271663.db2.gz	XKETZIFMOGTYNK-MXASKKJJSA-N	1	0	369.469	1.147	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)[C@@H](C)CC)C[C@H]3C2)CC1	ZINC000986247282	831360976	/nfs/dbraw/zinc/36/09/76/831360976.db2.gz	ZQCSPZGIRNZAOX-UHOSZYNNSA-N	1	0	359.514	1.685	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C1	ZINC000986276081	831416309	/nfs/dbraw/zinc/41/63/09/831416309.db2.gz	LFOLCFHCQRASDJ-FGTMMUONSA-N	1	0	370.497	1.689	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]2C1	ZINC000986370356	831566992	/nfs/dbraw/zinc/56/69/92/831566992.db2.gz	LCUJTVFRTXSCLN-HSALFYBXSA-N	1	0	371.525	1.827	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@H](F)CC)C[C@@H]3C2)CC1	ZINC000986516454	831812725	/nfs/dbraw/zinc/81/27/25/831812725.db2.gz	FNBSKBZOEQJYDT-FGTMMUONSA-N	1	0	363.477	1.387	20	30		FDEDRO
C#Cc1ccc(C(=O)NCC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC001059730337	831980098	/nfs/dbraw/zinc/98/00/98/831980098.db2.gz	FCQKTYAPAIRRQA-GPMSIDNRSA-N	1	0	368.481	1.372	20	30		FDEDRO
C#CCOCCC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001059733395	832086034	/nfs/dbraw/zinc/08/60/34/832086034.db2.gz	HTPRLCMKGWIKQS-FGTMMUONSA-N	1	0	363.502	1.111	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@](C)(NC(C)=O)C(C)C)C[C@H]1C(F)(F)F	ZINC001112213770	832156521	/nfs/dbraw/zinc/15/65/21/832156521.db2.gz	ZRVJYLPXDUOHRN-IIAWOOMASA-N	1	0	361.408	1.539	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)CC[C@@H]3C2)C1	ZINC000986686557	832198367	/nfs/dbraw/zinc/19/83/67/832198367.db2.gz	USCGBACEWBDRKJ-OIISXLGYSA-N	1	0	369.469	1.149	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)CS(C)(=O)=O)C[C@H]1C(F)(F)F	ZINC001112214168	832343715	/nfs/dbraw/zinc/34/37/15/832343715.db2.gz	QQXTUTLDBGRMBR-VXGBXAGGSA-N	1	0	370.437	1.612	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)OC2(CC[NH+](CCOC)CC2)C1	ZINC001098639129	832466222	/nfs/dbraw/zinc/46/62/22/832466222.db2.gz	LAQHJVHMRHMZJY-ZACQAIPSSA-N	1	0	352.475	1.306	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cncnc2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088535894	832504789	/nfs/dbraw/zinc/50/47/89/832504789.db2.gz	SWHAMPCKSPKRFN-KDOFPFPSSA-N	1	0	351.410	1.772	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21	ZINC001075885491	832541004	/nfs/dbraw/zinc/54/10/04/832541004.db2.gz	ZFHQUVIMEBCQNT-XYJFISCASA-N	1	0	366.469	1.599	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1	ZINC000666292523	832861942	/nfs/dbraw/zinc/86/19/42/832861942.db2.gz	XCCBURKUZBDVDI-QGZVFWFLSA-N	1	0	360.458	1.387	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)[C@@]12CC[N@H+](C1)CCC2	ZINC000987633454	833488064	/nfs/dbraw/zinc/48/80/64/833488064.db2.gz	GAQFCVSMEJZHIN-WTANOLMUSA-N	1	0	355.442	1.091	20	30		FDEDRO
C[C@@H]1CC[N@H+](CCNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1	ZINC000897435457	833790067	/nfs/dbraw/zinc/79/00/67/833790067.db2.gz	MJHHOJJFNYGXHM-MJGOQNOKSA-N	1	0	355.486	1.748	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C)cc1	ZINC000988061923	834005637	/nfs/dbraw/zinc/00/56/37/834005637.db2.gz	IAJCWUKHSMLDIA-MNEFBYGVSA-N	1	0	371.481	1.758	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@@H]1C	ZINC000988857268	837726140	/nfs/dbraw/zinc/72/61/40/837726140.db2.gz	MRXWQHNYVUOYDB-NUJGCVRESA-N	1	0	371.481	1.922	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C)cn1	ZINC000988195706	834218259	/nfs/dbraw/zinc/21/82/59/834218259.db2.gz	IDQKOXXRUAPIGF-CCKFTAQKSA-N	1	0	366.465	1.124	20	30		FDEDRO
COCCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)nn1	ZINC001088560444	834341999	/nfs/dbraw/zinc/34/19/99/834341999.db2.gz	QEEHWFNKXXHAJE-PBHICJAKSA-N	1	0	368.441	1.189	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cnc(N(C)C)cn2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088566387	834777877	/nfs/dbraw/zinc/77/78/77/834777877.db2.gz	LVLLGLWUOVZIIN-PBHICJAKSA-N	1	0	364.453	1.807	20	30		FDEDRO
C=C(Br)CN1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C	ZINC001088571809	834849642	/nfs/dbraw/zinc/84/96/42/834849642.db2.gz	OGEQWMYFNITYKI-SNPRPXQTSA-N	1	0	356.308	1.816	20	30		FDEDRO
N#Cc1ccc(-c2noc([C@@]34C[NH2+]C[C@H]3CN(c3ccccc3)C4)n2)nc1	ZINC001211920638	834891773	/nfs/dbraw/zinc/89/17/73/834891773.db2.gz	YELWTGIIEYVBLW-MGPUTAFESA-N	1	0	358.405	1.981	20	30		FDEDRO
COCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2c(C#N)cccc2[N+](=O)[O-])C1	ZINC000459318549	834969808	/nfs/dbraw/zinc/96/98/08/834969808.db2.gz	COAVXHXSUXPGPD-UKRRQHHQSA-N	1	0	360.414	1.830	20	30		FDEDRO
Cc1cc(OCC(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)no1	ZINC001075908775	835254586	/nfs/dbraw/zinc/25/45/86/835254586.db2.gz	DTIBSXMLBFYRKZ-ZWKOTPCHSA-N	1	0	366.421	1.966	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C2(c3cccc(C#N)c3)CC2)CC1	ZINC000532938047	835584490	/nfs/dbraw/zinc/58/44/90/835584490.db2.gz	DFFHLVDJNNOSBP-GOSISDBHSA-N	1	0	366.465	1.355	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN([C@H](C(N)=O)c3ccc(C#N)cc3)C2)CC1	ZINC000532986680	835606004	/nfs/dbraw/zinc/60/60/04/835606004.db2.gz	UDYQOAYIBAENLL-MOPGFXCFSA-N	1	0	355.486	1.185	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[C@@H](C)O3)[C@@H]2C)CC1	ZINC000988505724	835645056	/nfs/dbraw/zinc/64/50/56/835645056.db2.gz	CAXLWOJTJMJVHR-XYVMCAHJSA-N	1	0	361.486	1.005	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)Cc3cccnc3)[C@@H]2C)CC1	ZINC000988507390	835662711	/nfs/dbraw/zinc/66/27/11/835662711.db2.gz	SMMBNWLSFKHMBZ-APWZRJJASA-N	1	0	368.481	1.075	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3cc(F)c[nH]3)[C@@H]2C)CC1	ZINC000988507944	835663583	/nfs/dbraw/zinc/66/35/83/835663583.db2.gz	XYTUMGAOTVDUFN-CJNGLKHVSA-N	1	0	360.433	1.218	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1C	ZINC000988509802	835675922	/nfs/dbraw/zinc/67/59/22/835675922.db2.gz	AQVPIHXPSZXFTB-UKPHBRMFSA-N	1	0	357.458	1.480	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C)C1	ZINC000988533864	835806683	/nfs/dbraw/zinc/80/66/83/835806683.db2.gz	XCYCEUOSVDUZAJ-INMHGKMJSA-N	1	0	371.485	1.583	20	30		FDEDRO
Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CCOC[C@H]2C#N)CC1	ZINC000246207860	835993602	/nfs/dbraw/zinc/99/36/02/835993602.db2.gz	JUHXYZSCAXSPNY-LJQANCHMSA-N	1	0	356.470	1.254	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1CN(CCc2ccns2)C[C@H]1OC	ZINC001211994856	836029181	/nfs/dbraw/zinc/02/91/81/836029181.db2.gz	MLCAMVXUIPVIJH-FVQBIDKESA-N	1	0	353.488	1.482	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCc3ccccc3C2)C[C@H]1OC	ZINC001212032046	836344652	/nfs/dbraw/zinc/34/46/52/836344652.db2.gz	HFFDSOSASYBQKG-PWIZWCRZSA-N	1	0	358.482	1.810	20	30		FDEDRO
CO[C@@H]1CN(CC(=O)N(C(C)C)C2CCCC2)C[C@H]1NC(=O)[C@H](C)C#N	ZINC001212041740	836357922	/nfs/dbraw/zinc/35/79/22/836357922.db2.gz	ZLZQZHOWFWYIAN-DJIMGWMZSA-N	1	0	364.490	1.141	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)CCc2c[nH]cn2)C1	ZINC000938023421	836979130	/nfs/dbraw/zinc/97/91/30/836979130.db2.gz	WOVRXWHMYMWLIK-BQFCYCMXSA-N	1	0	360.458	1.431	20	30		FDEDRO
N#Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc2c[nH+]cn2c1	ZINC001212098249	837139141	/nfs/dbraw/zinc/13/91/41/837139141.db2.gz	AHOKFXPSYMUVHC-UHFFFAOYSA-N	1	0	357.351	1.593	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CCOC)C3)[C@@H]2C(C)C)nc1	ZINC001105669578	844259232	/nfs/dbraw/zinc/25/92/32/844259232.db2.gz	SPWSXVOQBZVNGN-WERVVEIQSA-N	1	0	371.481	1.289	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3[nH]cnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105669643	844260316	/nfs/dbraw/zinc/26/03/16/844260316.db2.gz	UCDMMNKTARQIDO-LFGUQSLTSA-N	1	0	358.486	1.250	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1C	ZINC000989049099	838211001	/nfs/dbraw/zinc/21/10/01/838211001.db2.gz	LVNFGNORLAAEIX-UWVAXJGDSA-N	1	0	367.493	1.658	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CCC3)C2)CC1	ZINC000938097433	838333195	/nfs/dbraw/zinc/33/31/95/838333195.db2.gz	RZELBIPGRIRTNX-GBESFXJTSA-N	1	0	357.498	1.485	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000428594963	838348669	/nfs/dbraw/zinc/34/86/69/838348669.db2.gz	HQXZGTSUSCABRU-INIZCTEOSA-N	1	0	357.454	1.535	20	30		FDEDRO
C[N@H+](CCCCNC(=O)N1CCN(c2ccc(C#N)cn2)CC1)C1CC1	ZINC000455622642	838395321	/nfs/dbraw/zinc/39/53/21/838395321.db2.gz	UWFFOUHBSKWKHY-UHFFFAOYSA-N	1	0	356.474	1.659	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1cncnc1OC)C(C)C	ZINC000272941342	838438958	/nfs/dbraw/zinc/43/89/58/838438958.db2.gz	PAXTXGBCAGMGOR-OAHLLOKOSA-N	1	0	361.446	1.239	20	30		FDEDRO
C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1	ZINC000273382993	838445700	/nfs/dbraw/zinc/44/57/00/838445700.db2.gz	FEAONSUAFCGKPY-SFHVURJKSA-N	1	0	359.470	1.707	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](C[C@H]2CCc3ncnn32)[C@@H]1C	ZINC001088624276	838514758	/nfs/dbraw/zinc/51/47/58/838514758.db2.gz	XJLIOUQMNFLFBP-OAGGEKHMSA-N	1	0	354.458	1.646	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C)cn1	ZINC000989167817	838564809	/nfs/dbraw/zinc/56/48/09/838564809.db2.gz	NYWPNZDMMCFHLZ-APWZRJJASA-N	1	0	368.481	1.514	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C(=O)OC)[C@@H](c2ccccc2)C1	ZINC000459553741	838830157	/nfs/dbraw/zinc/83/01/57/838830157.db2.gz	IIGQHUXUFXZBEV-FVQBIDKESA-N	1	0	359.426	1.275	20	30		FDEDRO
C#CCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CCO2	ZINC001105474898	839030224	/nfs/dbraw/zinc/03/02/24/839030224.db2.gz	RNUCHHSCCYTMNX-XIRQLZCESA-N	1	0	358.482	1.563	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000460023814	839260495	/nfs/dbraw/zinc/26/04/95/839260495.db2.gz	UBYOEHQIZPMWBL-GOSISDBHSA-N	1	0	369.465	1.683	20	30		FDEDRO
[NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#Cc3cccs3)c2)CCO1	ZINC000667480513	844419135	/nfs/dbraw/zinc/41/91/35/844419135.db2.gz	MZDYGBJVNNIGHQ-MRXNPFEDSA-N	1	0	369.446	1.273	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1	ZINC000989289318	839286126	/nfs/dbraw/zinc/28/61/26/839286126.db2.gz	WLINUDMYWTUQBW-VVLHAWIVSA-N	1	0	351.491	1.271	20	30		FDEDRO
C#CCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1ccnn1C)CCO2	ZINC001105475747	839418141	/nfs/dbraw/zinc/41/81/41/839418141.db2.gz	NCYCTBMFPZECQF-BKVYSMKUSA-N	1	0	370.497	1.677	20	30		FDEDRO
C#CCOCCC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1C	ZINC001101961844	839783890	/nfs/dbraw/zinc/78/38/90/839783890.db2.gz	KHXFPBNNJMYGGJ-MCIONIFRSA-N	1	0	350.381	1.024	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105587999	840037420	/nfs/dbraw/zinc/03/74/20/840037420.db2.gz	PWHHCNVXZTYRRA-ZAWLATJESA-N	1	0	354.491	1.192	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CNC(C)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105589680	840112844	/nfs/dbraw/zinc/11/28/44/840112844.db2.gz	CAFGGQGAYYSDLI-ZAWLATJESA-N	1	0	351.491	1.055	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000479652671	844511649	/nfs/dbraw/zinc/51/16/49/844511649.db2.gz	ZAWWEDMLGPXWCZ-GOSISDBHSA-N	1	0	359.470	1.428	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(C)nc2Cl)CC1	ZINC000897674608	840217620	/nfs/dbraw/zinc/21/76/20/840217620.db2.gz	AYLZYKCTHMAAFI-UHFFFAOYSA-N	1	0	350.850	1.426	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[C@H]2CC(C)(C)CO2)CC1	ZINC000897675035	840218172	/nfs/dbraw/zinc/21/81/72/840218172.db2.gz	PBGVFVJBGRCXCU-INIZCTEOSA-N	1	0	351.491	1.465	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105593815	840308826	/nfs/dbraw/zinc/30/88/26/840308826.db2.gz	GRPLAOMVYOBHOI-XSYGEPLQSA-N	1	0	359.470	1.244	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1	ZINC000898045105	840685714	/nfs/dbraw/zinc/68/57/14/840685714.db2.gz	GFCRULRAZGUPML-JZXOWHBKSA-N	1	0	372.469	1.216	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCn3cccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105597037	840763308	/nfs/dbraw/zinc/76/33/08/840763308.db2.gz	BIDQOAXDZCRLTF-HNBVOPMISA-N	1	0	358.486	1.263	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C)nc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105598240	840767313	/nfs/dbraw/zinc/76/73/13/840767313.db2.gz	MWYAXDSQSDORJC-ANTGDGSKSA-N	1	0	355.482	1.993	20	30		FDEDRO
CO[C@@H]1CCOC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000898102462	840812958	/nfs/dbraw/zinc/81/29/58/840812958.db2.gz	UHBHDIVQJOMSSJ-QZTJIDSGSA-N	1	0	360.458	1.435	20	30		FDEDRO
C=C(Br)CN1C[C@@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@@H]2C1	ZINC001075943340	840997004	/nfs/dbraw/zinc/99/70/04/840997004.db2.gz	MGGLWQWCNVQGFN-LXTVHRRPSA-N	1	0	372.307	1.147	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn[nH]c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105600459	841011115	/nfs/dbraw/zinc/01/11/15/841011115.db2.gz	HUZFAKIKTLFFLZ-VXIBKDFQSA-N	1	0	362.474	1.192	20	30		FDEDRO
CC(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CSCC#N)[C@H]2C(C)C)C[C@H]1O	ZINC001105601245	841044955	/nfs/dbraw/zinc/04/49/55/841044955.db2.gz	VEVXERHQBVQJKV-XYVMCAHJSA-N	1	0	353.532	1.865	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105603262	841168897	/nfs/dbraw/zinc/16/88/97/841168897.db2.gz	HDCHMLZHELJBHR-LBKNJMOBSA-N	1	0	360.502	1.966	20	30		FDEDRO
N#Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cn1	ZINC000479958703	844614855	/nfs/dbraw/zinc/61/48/55/844614855.db2.gz	DBFNCGIRLHWSTG-UHFFFAOYSA-N	1	0	350.422	1.840	20	30		FDEDRO
C=CCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC(C)C)C2)[C@H]1C(C)C	ZINC001105607675	841232521	/nfs/dbraw/zinc/23/25/21/841232521.db2.gz	VOYLOSULVLWSBL-SMOSDQRPSA-N	1	0	365.518	1.443	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3conc3C)[C@H]2C)CC1	ZINC000989611224	841241506	/nfs/dbraw/zinc/24/15/06/841241506.db2.gz	MIVVKOIBMYRKLU-PBHICJAKSA-N	1	0	358.442	1.047	20	30		FDEDRO
C=CCOCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCOC)C2)[C@@H]1C(C)C	ZINC001105610134	841560658	/nfs/dbraw/zinc/56/06/58/841560658.db2.gz	IFRRTCCBUKUNOX-FPAYPSAMSA-N	1	0	354.491	1.192	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1	ZINC000643494657	841622766	/nfs/dbraw/zinc/62/27/66/841622766.db2.gz	USIJFILNJZFLMG-FUHWJXTLSA-N	1	0	359.470	1.796	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncc(C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105610728	841688560	/nfs/dbraw/zinc/68/85/60/841688560.db2.gz	MTJVEVHBTLGUCR-WERVVEIQSA-N	1	0	355.482	1.993	20	30		FDEDRO
C=C(Cl)C[C@H]1NC(=O)N(CC2CC[NH+](C3CCOCC3)CC2)C1=O	ZINC000925330782	842048567	/nfs/dbraw/zinc/04/85/67/842048567.db2.gz	AVKBJDXXFJQZAZ-OAHLLOKOSA-N	1	0	355.866	1.940	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@H]1C(C)C	ZINC001105614901	842228927	/nfs/dbraw/zinc/22/89/27/842228927.db2.gz	LFOJSYNQJPOUGN-HNBVOPMISA-N	1	0	368.518	1.318	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC#CC)C2)[C@@H]1C(C)C	ZINC001105615218	842230543	/nfs/dbraw/zinc/23/05/43/842230543.db2.gz	QHVNJGXIINVXCJ-RMVXJAJNSA-N	1	0	362.514	1.959	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnnc(C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619394	842237595	/nfs/dbraw/zinc/23/75/95/842237595.db2.gz	KGOUQWJFUHRVNY-MLYOOKFZSA-N	1	0	358.486	1.941	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cncnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105622551	842247172	/nfs/dbraw/zinc/24/71/72/842247172.db2.gz	CPIVQFXGPIFONE-IZBJGVDFSA-N	1	0	356.470	1.009	20	30		FDEDRO
C#CCCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCOCC)C2)[C@@H]1C(C)C	ZINC001105622584	842247967	/nfs/dbraw/zinc/24/79/67/842247967.db2.gz	DFASILYVQZXJOL-JYBIWHBTSA-N	1	0	350.503	1.793	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(C)(C)O)[C@H]2C(C)C)C[C@H]1O	ZINC001105622787	842249246	/nfs/dbraw/zinc/24/92/46/842249246.db2.gz	HSHUHQNNBOMUTH-HBXLWWENSA-N	1	0	368.518	1.316	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3ncc[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105622910	842249793	/nfs/dbraw/zinc/24/97/93/842249793.db2.gz	JXZHGDQSELOEKL-SMOSDQRPSA-N	1	0	358.486	1.332	20	30		FDEDRO
COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105624165	842253443	/nfs/dbraw/zinc/25/34/43/842253443.db2.gz	XVWQMKFVFMWPBZ-YWTNHNAXSA-N	1	0	360.458	1.112	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccncc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105626510	842256700	/nfs/dbraw/zinc/25/67/00/842256700.db2.gz	CGQHOAHUBNVRTQ-BNDYYXHWSA-N	1	0	355.482	1.993	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nn(C)cc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105626529	842257096	/nfs/dbraw/zinc/25/70/96/842257096.db2.gz	CMNCXODNXUDWIE-CIWUYKSXSA-N	1	0	358.486	1.332	20	30		FDEDRO
CCOCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C#CC3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105627688	842260364	/nfs/dbraw/zinc/26/03/64/842260364.db2.gz	OYDSNSSTARMRGL-VURPSTOHSA-N	1	0	362.514	1.793	20	30		FDEDRO
COCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C#CC(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105627690	842260781	/nfs/dbraw/zinc/26/07/81/842260781.db2.gz	PAFYIVOAIYKAGP-IZBJGVDFSA-N	1	0	350.503	1.648	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)C#CC(C)(C)C)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2	ZINC001105628875	842262122	/nfs/dbraw/zinc/26/21/22/842262122.db2.gz	YOQCGHVJJVVUTP-HBXLWWENSA-N	1	0	350.503	1.384	20	30		FDEDRO
COCCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C#CC3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105628803	842262477	/nfs/dbraw/zinc/26/24/77/842262477.db2.gz	YHZYGSKNGQOECG-UKAVVXHISA-N	1	0	362.514	1.793	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3[nH]c(=O)[nH]c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637043	842270156	/nfs/dbraw/zinc/27/01/56/842270156.db2.gz	IOXSDKGKOLHFPA-NPNMTCQASA-N	1	0	360.458	1.027	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3onc(C)c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105637353	842270955	/nfs/dbraw/zinc/27/09/55/842270955.db2.gz	OCIOHLYLJYSMCM-ZTRFORPCSA-N	1	0	359.470	1.894	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3nccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105632065	842279147	/nfs/dbraw/zinc/27/91/47/842279147.db2.gz	HZPRTYFSNUIRTC-RWQQGDIJSA-N	1	0	361.490	1.210	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCOC)C2)[C@H]1C(C)C	ZINC001105633332	842282181	/nfs/dbraw/zinc/28/21/81/842282181.db2.gz	RYFSSRHALHBYDC-LFGUQSLTSA-N	1	0	366.502	1.029	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N1C[C@]2(C[C@@H](O)[C@H](NCC#N)C2)[C@H]1C(C)C	ZINC001105642040	842302405	/nfs/dbraw/zinc/30/24/05/842302405.db2.gz	GVAXAMCMLAHXGU-NNFUDEMPSA-N	1	0	350.507	1.206	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(COCC)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105642249	842304893	/nfs/dbraw/zinc/30/48/93/842304893.db2.gz	IHLZBDAUHFGHBX-NEYJZJCJSA-N	1	0	362.514	1.793	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105643469	842339455	/nfs/dbraw/zinc/33/94/55/842339455.db2.gz	YYECHLQLIUFULS-SOAMZJECSA-N	1	0	356.470	1.388	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCn3ccnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105648100	842415877	/nfs/dbraw/zinc/41/58/77/842415877.db2.gz	WTJLUUWJRCFCGR-LFGUQSLTSA-N	1	0	358.486	1.263	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@@H]2C(C)C)C[C@H]1O	ZINC001105652162	842452056	/nfs/dbraw/zinc/45/20/56/842452056.db2.gz	KUESOYYZZRSUKP-URLCPOCESA-N	1	0	362.514	1.811	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cccnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105654791	842475898	/nfs/dbraw/zinc/47/58/98/842475898.db2.gz	BQUSJBOJVIRJKU-UGESXGAOSA-N	1	0	369.509	1.922	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cscn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105655577	842484658	/nfs/dbraw/zinc/48/46/58/842484658.db2.gz	JHHZIHZMQWZFHT-PSBWJHGTSA-N	1	0	361.511	1.675	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccnc3OC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105658015	842496221	/nfs/dbraw/zinc/49/62/21/842496221.db2.gz	CYEHWSHGVGXQOV-NEYJZJCJSA-N	1	0	371.481	1.693	20	30		FDEDRO
C=CCCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC#CCOC)C2)[C@@H]1C(C)C	ZINC001105660458	842537046	/nfs/dbraw/zinc/53/70/46/842537046.db2.gz	VHUHBFVXCGBGDF-QCFAMHMHSA-N	1	0	362.514	1.959	20	30		FDEDRO
C=CCN1CC[C@@H](N2CC[C@H](NC(=O)c3cc(Cl)n(C)n3)[C@H]2C)C1=O	ZINC001088730729	842632087	/nfs/dbraw/zinc/63/20/87/842632087.db2.gz	QUFDYINZIPMALP-MBNYWOFBSA-N	1	0	365.865	1.053	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccc(C)cc2)C[C@@H]1O	ZINC001083470629	842634266	/nfs/dbraw/zinc/63/42/66/842634266.db2.gz	CQBFACSSLREKPM-ZRNYENFQSA-N	1	0	358.482	1.680	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)NC(C)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105662246	842748675	/nfs/dbraw/zinc/74/86/75/842748675.db2.gz	MUZQGMFVZMILHL-NNFUDEMPSA-N	1	0	351.491	1.053	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnc(C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105664250	842892804	/nfs/dbraw/zinc/89/28/04/842892804.db2.gz	XKSONPVSHABPBN-ANTGDGSKSA-N	1	0	355.482	1.993	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CC4CC(F)(F)C4)[C@@H]3C2)C1=O	ZINC001075962885	842924700	/nfs/dbraw/zinc/92/47/00/842924700.db2.gz	UCIRJMRETRPYFW-ARFHVFGLSA-N	1	0	367.440	1.741	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(CC)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105665757	843018818	/nfs/dbraw/zinc/01/88/18/843018818.db2.gz	BVCBPLWRDYDLTO-PHXBYCTMSA-N	1	0	358.486	1.506	20	30		FDEDRO
Cn1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)ccc1=O	ZINC001075984559	843244653	/nfs/dbraw/zinc/24/46/53/843244653.db2.gz	IXYOBWCHFIBTNR-PKOBYXMFSA-N	1	0	362.433	1.603	20	30		FDEDRO
C=CCN1CC[C@H](N2CC[C@H](NC(=O)c3ncc(C)cc3C)[C@H]2C)C1=O	ZINC001088762169	843368622	/nfs/dbraw/zinc/36/86/22/843368622.db2.gz	VOZOIQISRCWYNW-IKGGRYGDSA-N	1	0	356.470	1.678	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(=O)[nH]c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105667535	843637999	/nfs/dbraw/zinc/63/79/99/843637999.db2.gz	CBIHOBQRWNTOGD-ZTRFORPCSA-N	1	0	357.454	1.390	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCCC(N)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105667775	843691328	/nfs/dbraw/zinc/69/13/28/843691328.db2.gz	SWOOGMAHBGUDPP-YKCBXCCJSA-N	1	0	365.518	1.574	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(=O)[nH]c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105668296	843784549	/nfs/dbraw/zinc/78/45/49/843784549.db2.gz	IZUZDESAEBKUGT-CIWUYKSXSA-N	1	0	357.454	1.390	20	30		FDEDRO
CCc1ccnc(C(=O)N[C@@H]2CN(Cc3cccc(C#N)c3)C[C@@H]2O)c1	ZINC001083484388	843806952	/nfs/dbraw/zinc/80/69/52/843806952.db2.gz	HNHRDWQCCIKDRR-MOPGFXCFSA-N	1	0	350.422	1.491	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CCOC)C3)[C@@H]2C(C)C)cn1	ZINC001105668853	843838129	/nfs/dbraw/zinc/83/81/29/843838129.db2.gz	NHGPHEFRCSVPKT-BNDYYXHWSA-N	1	0	371.481	1.289	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1O	ZINC001083505563	844922843	/nfs/dbraw/zinc/92/28/43/844922843.db2.gz	SWJCJCJSRUHAHT-QRVBRYPASA-N	1	0	356.470	1.094	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCn3ccnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105673696	845414126	/nfs/dbraw/zinc/41/41/26/845414126.db2.gz	OEMIMBJVJBFWOO-HNBVOPMISA-N	1	0	360.502	1.815	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCOCCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105674398	845466760	/nfs/dbraw/zinc/46/67/60/845466760.db2.gz	WSKPZNCAXBHGGQ-HNBVOPMISA-N	1	0	368.518	1.582	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnc(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105675729	845744497	/nfs/dbraw/zinc/74/44/97/845744497.db2.gz	RCYPZURDDZMGSG-XSYGEPLQSA-N	1	0	356.470	1.388	20	30		FDEDRO
C[N@@H+]1CCC[C@@](O)(CC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)C1	ZINC000913162380	861607281	/nfs/dbraw/zinc/60/72/81/861607281.db2.gz	KRUUCTCNNFZKKZ-LJQANCHMSA-N	1	0	357.454	1.527	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@@H]1O	ZINC001083525957	846375174	/nfs/dbraw/zinc/37/51/74/846375174.db2.gz	VJTLGNMSBCXMSZ-GGPKGHCWSA-N	1	0	369.465	1.053	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O	ZINC001083526242	846410648	/nfs/dbraw/zinc/41/06/48/846410648.db2.gz	IOVQDPXKKCJSJC-NEWSRXKRSA-N	1	0	361.486	1.390	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)CN2CCc3cc(OC)c(OC)cc3C2)CC1	ZINC000899589670	846468568	/nfs/dbraw/zinc/46/85/68/846468568.db2.gz	AFVDSQPAZUXHQK-UHFFFAOYSA-N	1	0	374.481	1.992	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000899941863	846915780	/nfs/dbraw/zinc/91/57/80/846915780.db2.gz	ABAOGCBLTYKWRS-UHFFFAOYSA-N	1	0	369.462	1.167	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)C[C@@H]4CCCC(=O)N4)[C@@H]3C2)c1	ZINC001076018304	847027869	/nfs/dbraw/zinc/02/78/69/847027869.db2.gz	KQBANWORPLAEII-GBESFXJTSA-N	1	0	366.465	1.650	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H]3CCN(C(=O)c4csnn4)[C@@H]3C2)c(F)c1	ZINC001076095147	847268043	/nfs/dbraw/zinc/26/80/43/847268043.db2.gz	WHCIDZFBOLJMAM-XJKSGUPXSA-N	1	0	357.414	1.895	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C5CC5)on4)[C@@H]3C2)C1=O	ZINC001076099123	847281396	/nfs/dbraw/zinc/28/13/96/847281396.db2.gz	LDLKRBSRQFIKSA-USXIJHARSA-N	1	0	370.453	1.485	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CC4=CCOCC4)[C@@H]3C2)C1=O	ZINC001076211087	847546562	/nfs/dbraw/zinc/54/65/62/847546562.db2.gz	PNGYGQHSRSQJHN-RCCFBDPRSA-N	1	0	359.470	1.043	20	30		FDEDRO
Cn1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)[nH]c1=O	ZINC001076207540	847561320	/nfs/dbraw/zinc/56/13/20/847561320.db2.gz	BLCKWRDDYWZXTJ-DOTOQJQBSA-N	1	0	351.410	1.344	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCCCC(=O)N4)[C@@H]3C2)c1	ZINC001076230365	847618835	/nfs/dbraw/zinc/61/88/35/847618835.db2.gz	RROCPTAOLGZQCL-GBESFXJTSA-N	1	0	366.465	1.650	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(CO)ccc3F)C[C@H]21	ZINC001076263551	847721542	/nfs/dbraw/zinc/72/15/42/847721542.db2.gz	HUPSIXCPVGPXPF-ZSXHRAQDSA-N	1	0	374.456	1.942	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](C[C@H]4CC(C)(C)CO4)C[C@H]32)nn1	ZINC001076336343	847883122	/nfs/dbraw/zinc/88/31/22/847883122.db2.gz	SYVHFOIIBNNPPP-ZMSDIMECSA-N	1	0	359.474	1.426	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C)nc(C)n4)[C@@H]3C2)C1=O	ZINC001076357151	847948714	/nfs/dbraw/zinc/94/87/14/847948714.db2.gz	RCEYSBQWBUCLRA-RYQLBKOJSA-N	1	0	369.469	1.027	20	30		FDEDRO
N#Cc1ccc(F)c(CN2C[C@@H]3CCN(C(=O)c4ncccn4)[C@@H]3C2)c1	ZINC001076386205	848007941	/nfs/dbraw/zinc/00/79/41/848007941.db2.gz	HGCDRCJOXYBTNJ-WMLDXEAASA-N	1	0	351.385	1.834	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cnn(CC)c4C)[C@@H]3C2)C1=O	ZINC001076392212	848033156	/nfs/dbraw/zinc/03/31/56/848033156.db2.gz	OXBRLDAQYXPYBZ-CGTJXYLNSA-N	1	0	371.485	1.145	20	30		FDEDRO
C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1	ZINC001076429986	848117430	/nfs/dbraw/zinc/11/74/30/848117430.db2.gz	PQIYVDRJACDKNF-DBVUQKKJSA-N	1	0	367.493	1.756	20	30		FDEDRO
O=C(C[NH+]1CCCC1)N1CC[C@H]2CN(CC#Cc3ccc(F)cc3)C[C@H]21	ZINC001076572894	848445447	/nfs/dbraw/zinc/44/54/47/848445447.db2.gz	HNVQFPCWLJKFKG-AZUAARDMSA-N	1	0	355.457	1.806	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN([C@H](C)c4noc(C)n4)C[C@H]32)CC1	ZINC001076604571	848553482	/nfs/dbraw/zinc/55/34/82/848553482.db2.gz	MNDQQWRGLWFTAS-FHLIZLRMSA-N	1	0	371.485	1.317	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(Cc4noc(CC)n4)C[C@H]32)CC1	ZINC001076604714	848554599	/nfs/dbraw/zinc/55/45/99/848554599.db2.gz	SIZVUIRLLOJSFT-DLBZAZTESA-N	1	0	371.485	1.010	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN([C@H](C)c4nnc(C)o4)C[C@H]32)CC1	ZINC001076605893	848557073	/nfs/dbraw/zinc/55/70/73/848557073.db2.gz	YKUZSLCCIOUUSX-FHLIZLRMSA-N	1	0	371.485	1.317	20	30		FDEDRO
CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001076617089	848583385	/nfs/dbraw/zinc/58/33/85/848583385.db2.gz	JMMGPNOLAHSRAD-XUVXKRRUSA-N	1	0	366.465	1.602	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCCS(=O)(=O)C1)C2	ZINC001098172029	848641106	/nfs/dbraw/zinc/64/11/06/848641106.db2.gz	NXBCXZKIIOXHLD-VQHPVUNQSA-N	1	0	354.516	1.889	20	30		FDEDRO
O=C(N[C@@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1O)C1CC1	ZINC001076661366	848686534	/nfs/dbraw/zinc/68/65/34/848686534.db2.gz	ZHZLGUJKAFLJGT-HZPDHXFCSA-N	1	0	352.356	1.628	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C	ZINC000249159379	848704134	/nfs/dbraw/zinc/70/41/34/848704134.db2.gz	IZFAXGKUOQDTRH-CJNGLKHVSA-N	1	0	358.442	1.694	20	30		FDEDRO
N#CCOc1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3ccccc3)C2)cc1	ZINC001076693262	848768037	/nfs/dbraw/zinc/76/80/37/848768037.db2.gz	DTSUTUMWILNTCZ-RTBURBONSA-N	1	0	351.406	1.564	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C	ZINC001076706203	848811341	/nfs/dbraw/zinc/81/13/41/848811341.db2.gz	VWOTWFJCIUUCIN-FJIDUMEYSA-N	1	0	367.534	1.955	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1	ZINC001076745888	848918504	/nfs/dbraw/zinc/91/85/04/848918504.db2.gz	VSTCDVUHDCGUAA-GVDBMIGSSA-N	1	0	365.518	1.711	20	30		FDEDRO
COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3cccc(C)n3)C2)cc1C#N	ZINC001076748649	848949080	/nfs/dbraw/zinc/94/90/80/848949080.db2.gz	KBNHESPYUWTZAY-QZTJIDSGSA-N	1	0	366.421	1.245	20	30		FDEDRO
Cc1cc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)c(C)c1	ZINC001076854940	849210436	/nfs/dbraw/zinc/21/04/36/849210436.db2.gz	XUDLFLSGBJFHRN-RTBURBONSA-N	1	0	352.438	1.787	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(CC)c2)C[C@H]1O	ZINC001077019401	849554032	/nfs/dbraw/zinc/55/40/32/849554032.db2.gz	SNNYPIGVRJJVRL-WTGUMLROSA-N	1	0	358.482	1.892	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O	ZINC001077090944	849723922	/nfs/dbraw/zinc/72/39/22/849723922.db2.gz	GEKLFZQAWBWCQR-CEXWTWQISA-N	1	0	356.470	1.094	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1O	ZINC001077247496	850239290	/nfs/dbraw/zinc/23/92/90/850239290.db2.gz	ZXHZSNNEOQYOML-QZTJIDSGSA-N	1	0	370.453	1.003	20	30		FDEDRO
COCc1sccc1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O	ZINC001083569965	850240824	/nfs/dbraw/zinc/24/08/24/850240824.db2.gz	XXOMZVLGGAIQFF-SJORKVTESA-N	1	0	371.462	1.741	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1O	ZINC001083578630	850964251	/nfs/dbraw/zinc/96/42/51/850964251.db2.gz	VIADXVIOQBYCNJ-JQHSSLGASA-N	1	0	360.454	1.453	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O	ZINC000904188576	851023789	/nfs/dbraw/zinc/02/37/89/851023789.db2.gz	FQXJCRLOARQUQO-UHFFFAOYSA-N	1	0	372.425	1.029	20	30		FDEDRO
CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]CC#Cc2ccccc2)CCC1	ZINC000905029916	851627404	/nfs/dbraw/zinc/62/74/04/851627404.db2.gz	DJOMAAIIHSZDDE-QGZVFWFLSA-N	1	0	364.511	1.629	20	30		FDEDRO
C[C@@H]1CN(Cc2csc(NC(=O)NCC#CC[NH+](C)C)n2)C[C@H](C)O1	ZINC000905150953	851707089	/nfs/dbraw/zinc/70/70/89/851707089.db2.gz	DMKOASXHYPTHJH-OKILXGFUSA-N	1	0	365.503	1.439	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H]([NH2+]C[C@H](O)CC3(O)CCCC3)C2=O)cc1	ZINC000905230373	851738835	/nfs/dbraw/zinc/73/88/35/851738835.db2.gz	MHRBPCMHZUJFHS-MSOLQXFVSA-N	1	0	357.454	1.305	20	30		FDEDRO
C#C[C@H]1CC[C@H]([NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1	ZINC000905415160	851915155	/nfs/dbraw/zinc/91/51/55/851915155.db2.gz	FXGKPGUZQFCQDO-BZUAXINKSA-N	1	0	356.532	1.770	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)cc1	ZINC000905447129	851925070	/nfs/dbraw/zinc/92/50/70/851925070.db2.gz	OPDFTXCCBUMANC-ZYHUDNBSSA-N	1	0	354.275	1.446	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)cc1	ZINC000905447678	851926080	/nfs/dbraw/zinc/92/60/80/851926080.db2.gz	SSVRQRRPEKXJAH-DGCLKSJQSA-N	1	0	368.302	1.640	20	30		FDEDRO
C=C(C)C[C@@H](CO)[NH2+]C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1	ZINC000905454162	851957987	/nfs/dbraw/zinc/95/79/87/851957987.db2.gz	RRPRSOPUEAAJJC-PKOBYXMFSA-N	1	0	363.502	1.095	20	30		FDEDRO
CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC#CC[NH+](C)C	ZINC000913518148	862303451	/nfs/dbraw/zinc/30/34/51/862303451.db2.gz	GDAYSHIOUNSRJP-APWZRJJASA-N	1	0	355.482	1.667	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCN2CCc3ccccc32)cc1	ZINC000905577029	852067374	/nfs/dbraw/zinc/06/73/74/852067374.db2.gz	SZLMDSUYBJERQO-UHFFFAOYSA-N	1	0	355.463	1.984	20	30		FDEDRO
Cc1ccc(C[NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)cc1C#N	ZINC000905580811	852071025	/nfs/dbraw/zinc/07/10/25/852071025.db2.gz	QIRPNBXHUQPBBD-UHFFFAOYSA-N	1	0	352.456	1.713	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1	ZINC000905595038	852085524	/nfs/dbraw/zinc/08/55/24/852085524.db2.gz	XIHKWBOKCJZVGQ-JKSUJKDBSA-N	1	0	361.442	1.897	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCc3nnn(C)c3C2)c(OC)c1	ZINC000905632402	852101446	/nfs/dbraw/zinc/10/14/46/852101446.db2.gz	HCLAPNUCSBRERC-JKSUJKDBSA-N	1	0	372.469	1.439	20	30		FDEDRO
CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000906702255	853182082	/nfs/dbraw/zinc/18/20/82/853182082.db2.gz	WOAYLHGASATFAG-LBPRGKRZSA-N	1	0	365.231	1.373	20	30		FDEDRO
O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N1CCC[C@]12CC[NH2+]C2	ZINC000906769155	853292145	/nfs/dbraw/zinc/29/21/45/853292145.db2.gz	ZTMXRHVUJTZHBQ-JOCHJYFZSA-N	1	0	374.444	1.774	20	30		FDEDRO
C[NH+]1CCC(NS(=O)(=O)c2ccc(Br)c(C#N)c2)CC1	ZINC000906812220	853331921	/nfs/dbraw/zinc/33/19/21/853331921.db2.gz	FRIMOISLAPGVTP-UHFFFAOYSA-N	1	0	358.261	1.693	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=O)C[NH2+]Cc2ccc(C#N)cc2)CC1	ZINC000055178238	862463882	/nfs/dbraw/zinc/46/38/82/862463882.db2.gz	IDZXEBREVITBBC-UHFFFAOYSA-N	1	0	358.442	1.727	20	30		FDEDRO
N#Cc1sccc1S(=O)(=O)NC1CC[NH+](C2CCOCC2)CC1	ZINC000907330023	854085275	/nfs/dbraw/zinc/08/52/75/854085275.db2.gz	PQJDAQZVTXSJTN-UHFFFAOYSA-N	1	0	355.485	1.541	20	30		FDEDRO
C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1	ZINC000907512434	854333130	/nfs/dbraw/zinc/33/31/30/854333130.db2.gz	IDBJZMUXIPCAEF-UHFFFAOYSA-N	1	0	364.467	1.775	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1	ZINC000907639820	854450835	/nfs/dbraw/zinc/45/08/35/854450835.db2.gz	JYZKSGKTAPAOMW-UHFFFAOYSA-N	1	0	358.486	1.479	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000907720856	854563406	/nfs/dbraw/zinc/56/34/06/854563406.db2.gz	BRAVHJZLFDRVBS-MOPGFXCFSA-N	1	0	368.481	1.897	20	30		FDEDRO
N#Cc1cc(F)ccc1CS(=O)(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO	ZINC000908014275	854909826	/nfs/dbraw/zinc/90/98/26/854909826.db2.gz	GXIWXMONHMOHPX-SJORKVTESA-N	1	0	367.446	1.058	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCc2c(cccc2S(=O)(=O)N(C)C)C1	ZINC000908071080	854990537	/nfs/dbraw/zinc/99/05/37/854990537.db2.gz	CIOFAWYSMOVSGB-UHFFFAOYSA-N	1	0	365.499	1.330	20	30		FDEDRO
O=C(Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1)c1cccc(C#CCO)c1	ZINC000908319950	855284612	/nfs/dbraw/zinc/28/46/12/855284612.db2.gz	YOHLJWPMAFDFNZ-HXUWFJFHSA-N	1	0	350.418	1.849	20	30		FDEDRO
C=C[C@](C)(O)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1	ZINC000668695020	855520702	/nfs/dbraw/zinc/52/07/02/855520702.db2.gz	DNRUNOZDNSJACN-IBGZPJMESA-N	1	0	351.491	1.154	20	30		FDEDRO
C=CCn1c(CNC(=O)c2cccs2)nnc1N1CC[N@@H+](C)C(C)(C)C1	ZINC000908666235	855668905	/nfs/dbraw/zinc/66/89/05/855668905.db2.gz	BJGNMYJPSBCLRF-UHFFFAOYSA-N	1	0	374.514	1.986	20	30		FDEDRO
C=CCn1c(-c2ncnc3[nH]cnc32)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000908712315	855716109	/nfs/dbraw/zinc/71/61/09/855716109.db2.gz	RDWPHDGVAKISIW-CYBMUJFWSA-N	1	0	365.445	1.422	20	30		FDEDRO
C=CCn1c(-c2ccc(=O)n(C)c2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C	ZINC000908739872	855736252	/nfs/dbraw/zinc/73/62/52/855736252.db2.gz	DNQLSLIPCACPAK-WBVHZDCISA-N	1	0	370.501	1.996	20	30		FDEDRO
C=CCn1c(-c2ccc(=O)n(C)c2)nnc1N1CCC[N@@H+](C(C)C)CC1	ZINC000908741222	855739128	/nfs/dbraw/zinc/73/91/28/855739128.db2.gz	VIDIGCBQFQNQOG-UHFFFAOYSA-N	1	0	356.474	1.750	20	30		FDEDRO
C=CCCC[NH+]1CC(OC2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)C1	ZINC001105724846	862717566	/nfs/dbraw/zinc/71/75/66/862717566.db2.gz	XRCJBPAHEWPUAE-CVEARBPZSA-N	1	0	363.502	1.546	20	30		FDEDRO
COCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1	ZINC000909090093	856153055	/nfs/dbraw/zinc/15/30/55/856153055.db2.gz	KPOMHJQBOOFRHW-FXAWDEMLSA-N	1	0	366.469	1.851	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc3c(c2)nc(C)n3C(CO)CO)CC1	ZINC000909295248	856377389	/nfs/dbraw/zinc/37/73/89/856377389.db2.gz	CTXKVMKYXQIWJA-UHFFFAOYSA-N	1	0	370.453	1.154	20	30		FDEDRO
C=C(C)Cn1c(-c2cccnn2)nnc1N1CC[NH+](C(C)(C)COC)CC1	ZINC000909308381	856422313	/nfs/dbraw/zinc/42/23/13/856422313.db2.gz	ZFRBYSWUQBBMIM-UHFFFAOYSA-N	1	0	371.489	1.858	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1	ZINC001112279017	856763180	/nfs/dbraw/zinc/76/31/80/856763180.db2.gz	KMPQHWURTPUOPG-AOIWGVFYSA-N	1	0	354.491	1.195	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[N@@H+](CC)C[C@@H]2C)c1	ZINC000910292217	857066963	/nfs/dbraw/zinc/06/69/63/857066963.db2.gz	IFTNJDHZVYAJIC-HNNXBMFYSA-N	1	0	363.483	1.154	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)O[C@](C)(C(F)F)C2)CC1	ZINC000668836497	857520532	/nfs/dbraw/zinc/52/05/32/857520532.db2.gz	ZXNWWCOBELZWPL-SJCJKPOMSA-N	1	0	359.417	1.024	20	30		FDEDRO
N#Cc1ccc(N(C(=O)C(=O)NCCCC2CC2)[C@H]2CCC[NH2+]C2)nc1	ZINC000910858574	857787721	/nfs/dbraw/zinc/78/77/21/857787721.db2.gz	OYUZEGQHFJHOLM-INIZCTEOSA-N	1	0	355.442	1.345	20	30		FDEDRO
N#Cc1ccc(N(C(=O)C(=O)NCc2ccccc2)[C@H]2CCC[NH2+]C2)nc1	ZINC000910858702	857787999	/nfs/dbraw/zinc/78/79/99/857787999.db2.gz	SPZLMIOUCQGKOK-KRWDZBQOSA-N	1	0	363.421	1.355	20	30		FDEDRO
C#CCN(C(=O)C(=O)N(C)CCCOc1ccccc1)C1CC[NH+](C)CC1	ZINC000910885579	857837317	/nfs/dbraw/zinc/83/73/17/857837317.db2.gz	LKCDGAQGUDADAY-UHFFFAOYSA-N	1	0	371.481	1.470	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@H]1C1(C[NH3+])CCC1	ZINC000910952316	857923962	/nfs/dbraw/zinc/92/39/62/857923962.db2.gz	JLVMMIRZPGBDGX-IKGGRYGDSA-N	1	0	363.502	1.594	20	30		FDEDRO
C=CCC[C@H](NC(=O)C(=O)NCCN1CCC([NH3+])CC1)c1ccccc1	ZINC000911230116	858377915	/nfs/dbraw/zinc/37/79/15/858377915.db2.gz	OFOWPDYOTJAFLX-SFHVURJKSA-N	1	0	358.486	1.349	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21	ZINC000911578694	858805634	/nfs/dbraw/zinc/80/56/34/858805634.db2.gz	ILVVINNWCMLPPX-OXQOHEQNSA-N	1	0	357.454	1.783	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C	ZINC000488828091	858814837	/nfs/dbraw/zinc/81/48/37/858814837.db2.gz	NFVNBGAKEIJVDP-SFHVURJKSA-N	1	0	368.481	1.693	20	30		FDEDRO
C[C@@H]1[NH2+]CCn2c(C(=O)N3CCN(c4cc(C#N)ccn4)CC3)ccc21	ZINC000911637410	858842957	/nfs/dbraw/zinc/84/29/57/858842957.db2.gz	WNHKKONCQSQMFV-AWEZNQCLSA-N	1	0	350.426	1.381	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1C	ZINC001106864710	881398005	/nfs/dbraw/zinc/39/80/05/881398005.db2.gz	YGCFHQHPNIHGCR-MGPQQGTHSA-N	1	0	355.429	1.244	20	30		FDEDRO
Cc1ncc(S(=O)(=O)NCc2ccccc2OCC[NH+](C)C)cc1C#N	ZINC000489200548	859392820	/nfs/dbraw/zinc/39/28/20/859392820.db2.gz	LLQLVRXAGLFORZ-UHFFFAOYSA-N	1	0	374.466	1.681	20	30		FDEDRO
CN(C1CC[NH+](CCO)CC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000489249216	859479178	/nfs/dbraw/zinc/47/91/78/859479178.db2.gz	NPBYFSKUILVQAY-IBGZPJMESA-N	1	0	356.470	1.442	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	ZINC000668992032	860040649	/nfs/dbraw/zinc/04/06/49/860040649.db2.gz	KKNQMMLLGADUHU-SJORKVTESA-N	1	0	364.534	1.380	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC([NH+]2CCC2)CC1	ZINC000912883309	860995429	/nfs/dbraw/zinc/99/54/29/860995429.db2.gz	WAVQFAZLIYFAGM-UHFFFAOYSA-N	1	0	366.469	1.847	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@H]([NH+]2CCC2)C1	ZINC000912921447	861025083	/nfs/dbraw/zinc/02/50/83/861025083.db2.gz	DHYXVSWZOWBWFQ-INIZCTEOSA-N	1	0	352.442	1.457	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001105795953	863226748	/nfs/dbraw/zinc/22/67/48/863226748.db2.gz	HICZYUMGTKVGCN-GDBMZVCRSA-N	1	0	368.412	1.671	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2C=CCC2)C[C@H]1C	ZINC001105803526	863266330	/nfs/dbraw/zinc/26/63/30/863266330.db2.gz	MLOITRMKWFUZAH-OWCLPIDISA-N	1	0	362.474	1.039	20	30		FDEDRO
COc1ccc(OC)c([C@H](O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1	ZINC000760888576	863394360	/nfs/dbraw/zinc/39/43/60/863394360.db2.gz	MAIZEWRQUFYLII-MRXNPFEDSA-N	1	0	359.430	1.479	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2sccc2COC)C[C@H]1C	ZINC001106872897	881661982	/nfs/dbraw/zinc/66/19/82/881661982.db2.gz	ORCSKXGIEHDXQR-UKRRQHHQSA-N	1	0	365.499	1.494	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]Cc1cn(C)nc1C(F)F	ZINC001105846285	863475993	/nfs/dbraw/zinc/47/59/93/863475993.db2.gz	PKLFZSKARLVWKO-VXGBXAGGSA-N	1	0	371.457	1.799	20	30		FDEDRO
CCCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C	ZINC001105850386	863487450	/nfs/dbraw/zinc/48/74/50/863487450.db2.gz	PLPBAYTZFKMJGQ-RBSFLKMASA-N	1	0	354.520	1.232	20	30		FDEDRO
CC(=O)N(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)[C@H](C)C1	ZINC001105851453	863490475	/nfs/dbraw/zinc/49/04/75/863490475.db2.gz	HPIFEMGBAASVNO-CXAGYDPISA-N	1	0	360.433	1.360	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+][C@H]1CCN(C2CCC2)C1=O	ZINC001105847925	863492640	/nfs/dbraw/zinc/49/26/40/863492640.db2.gz	KUKOBZUPGXXLQV-FMKPAKJESA-N	1	0	364.515	1.081	20	30		FDEDRO
CCc1onc(C)c1C[NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C	ZINC001105848347	863493743	/nfs/dbraw/zinc/49/37/43/863493743.db2.gz	WUJBMZQLLXGSNU-TZMCWYRMSA-N	1	0	350.488	1.986	20	30		FDEDRO
CCCn1c(C)nnc1C[NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C	ZINC001105849417	863498929	/nfs/dbraw/zinc/49/89/29/863498929.db2.gz	SXLHSBATSORTDN-UKRRQHHQSA-N	1	0	364.519	1.437	20	30		FDEDRO
Cc1cc(C#N)nc(NC[C@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1	ZINC001060317611	863813303	/nfs/dbraw/zinc/81/33/03/863813303.db2.gz	ISKSKFLHJSEMHR-DJIMGWMZSA-N	1	0	356.474	1.790	20	30		FDEDRO
C#CCNS(=O)(=O)N1CC[NH+]([C@H](C)CCSc2ccccc2)CC1	ZINC000761038242	863874719	/nfs/dbraw/zinc/87/47/19/863874719.db2.gz	UOUHTHREFOOCQP-MRXNPFEDSA-N	1	0	367.540	1.643	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@H]1CCN(C(=O)CC[NH+](C)C)C1	ZINC001060320815	863901821	/nfs/dbraw/zinc/90/18/21/863901821.db2.gz	BIHYVIZNDIMTPR-BQFCYCMXSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CCNC(=O)NC(C)C)[C@H](C)C1	ZINC001105908876	863909936	/nfs/dbraw/zinc/90/99/36/863909936.db2.gz	BBUQFPWETWBAJO-IXDOHACOSA-N	1	0	368.522	1.359	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CCNC(=O)C2CC2)[C@H](C)C1	ZINC001105909510	863912768	/nfs/dbraw/zinc/91/27/68/863912768.db2.gz	HRSDFQWKWRYLSQ-BFYDXBDKSA-N	1	0	351.491	1.178	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cc3n(n2)CCC3)[C@H](C)C1	ZINC001105909634	863914730	/nfs/dbraw/zinc/91/47/30/863914730.db2.gz	JNNYNFOBSAQIOM-BRWVUGGUSA-N	1	0	360.502	1.995	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001105915312	863976870	/nfs/dbraw/zinc/97/68/70/863976870.db2.gz	AOTAJZYAFBXPDJ-VQIMIIECSA-N	1	0	368.456	1.838	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2cccs2)[C@H](C)C1	ZINC001105941807	864152059	/nfs/dbraw/zinc/15/20/59/864152059.db2.gz	LREVMEMCBRLWKH-HUUCEWRRSA-N	1	0	365.499	1.251	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2csc(COC)n2)[C@H](C)C1	ZINC001105942701	864162329	/nfs/dbraw/zinc/16/23/29/864162329.db2.gz	MNFPTXMRGAZTBP-ZIAGYGMSSA-N	1	0	353.488	1.676	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]CCOCCOc2ccccc2)[C@H](C)C1	ZINC001105952309	864213013	/nfs/dbraw/zinc/21/30/13/864213013.db2.gz	VGTDROAISCRTLG-RCCFBDPRSA-N	1	0	359.470	1.926	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cnccc2C)C[C@H]1C	ZINC001105971465	864276372	/nfs/dbraw/zinc/27/63/72/864276372.db2.gz	BJTOEUDXVMVHPB-IAGOWNOFSA-N	1	0	371.485	1.450	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001105974251	864296363	/nfs/dbraw/zinc/29/63/63/864296363.db2.gz	SLZPZFFOJOFSQZ-RLLQIKCJSA-N	1	0	355.482	1.053	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]Cc2cncc(OC)n2)[C@H](C)C1	ZINC001105981853	864327402	/nfs/dbraw/zinc/32/74/02/864327402.db2.gz	HBMXRWVSGKITGF-HZPDHXFCSA-N	1	0	362.474	1.652	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(C)(C)C)[C@H](C)C1	ZINC001105982449	864334562	/nfs/dbraw/zinc/33/45/62/864334562.db2.gz	QKXFKHXGEMDQGM-IAGOWNOFSA-N	1	0	367.534	1.816	20	30		FDEDRO
Cc1noc(CCC[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)n1	ZINC001105985914	864354851	/nfs/dbraw/zinc/35/48/51/864354851.db2.gz	UXUROVYUHBKTMD-IUODEOHRSA-N	1	0	356.430	1.508	20	30		FDEDRO
Cc1nc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)n1	ZINC001105985807	864354907	/nfs/dbraw/zinc/35/49/07/864354907.db2.gz	UJXVYALYICDFBB-MLGOLLRUSA-N	1	0	355.446	1.093	20	30		FDEDRO
CC(C)COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC001105989155	864381727	/nfs/dbraw/zinc/38/17/27/864381727.db2.gz	QHCSGMXCTCZLMC-OIISXLGYSA-N	1	0	362.474	1.218	20	30		FDEDRO
C/C=C(\C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#Cc2ccccc2)[C@H](C)C1	ZINC001105993300	864420953	/nfs/dbraw/zinc/42/09/53/864420953.db2.gz	JBDDZTZFLPCXSA-ZMVNSWFDSA-N	1	0	367.493	1.805	20	30		FDEDRO
C=CCN1CC(=O)N(Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1=O	ZINC000761235596	864500417	/nfs/dbraw/zinc/50/04/17/864500417.db2.gz	USICMFGRBNSHSZ-KRWDZBQOSA-N	1	0	370.453	1.334	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]CC(=O)Nc1ccccc1	ZINC001106017121	864640950	/nfs/dbraw/zinc/64/09/50/864640950.db2.gz	FIIMEXGWCMINSV-HUUCEWRRSA-N	1	0	365.437	1.823	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]CC(=O)NCc1ccco1	ZINC001106015521	864654649	/nfs/dbraw/zinc/65/46/49/864654649.db2.gz	DOPGUDOPDZFZDM-ZIAGYGMSSA-N	1	0	369.425	1.093	20	30		FDEDRO
CC(C)[C@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC001106024475	864779491	/nfs/dbraw/zinc/77/94/91/864779491.db2.gz	HUQWXCVWRPBKTK-IJEWVQPXSA-N	1	0	359.474	1.345	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]CC(=O)NCC1CCC1	ZINC001106024874	864795834	/nfs/dbraw/zinc/79/58/34/864795834.db2.gz	NFBWZFQAQJCQLP-CZUORRHYSA-N	1	0	357.458	1.100	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(Cl)n2)[C@H](C)C1	ZINC001106029407	864878214	/nfs/dbraw/zinc/87/82/14/864878214.db2.gz	PWLOGZUVKKNXMI-ZIAGYGMSSA-N	1	0	362.861	1.059	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)C(C)(C)[NH+]2CCCCC2)C1	ZINC000991851900	864914963	/nfs/dbraw/zinc/91/49/63/864914963.db2.gz	HZFNWEZOXJPSSL-IRXDYDNUSA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCC(F)(F)C2)[C@H](C)C1	ZINC001106035592	864916531	/nfs/dbraw/zinc/91/65/31/864916531.db2.gz	UWYOFXIWGRUROQ-RBSFLKMASA-N	1	0	355.429	1.245	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)sn2)C[C@H]1C	ZINC001106057102	865052208	/nfs/dbraw/zinc/05/22/08/865052208.db2.gz	SMGVQXHQCYACGK-KWCYVHTRSA-N	1	0	350.488	1.440	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)Nc2cc(C)no2)[C@H](C)C1	ZINC001106056879	865058864	/nfs/dbraw/zinc/05/88/64/865058864.db2.gz	JOAARWONRLZZKM-FVQBIDKESA-N	1	0	360.458	1.798	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nnc3n2CCCC3)[C@H](C)C1	ZINC001106059045	865068905	/nfs/dbraw/zinc/06/89/05/865068905.db2.gz	NCTXOBNLGLWKMU-CLCXKQKWSA-N	1	0	361.490	1.126	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C(C)C)C(C)C)[C@H](C)C1	ZINC001106059464	865070313	/nfs/dbraw/zinc/07/03/13/865070313.db2.gz	VMLVSVOGCOPPDH-HLIPFELVSA-N	1	0	367.534	1.643	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)n2CCC)[C@H](C)C1	ZINC001106059572	865071231	/nfs/dbraw/zinc/07/12/31/865071231.db2.gz	YAKXYVHACCOMSU-OGWOLHLISA-N	1	0	363.506	1.508	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nnc(OCC)s2)[C@H](C)C1	ZINC001106065049	865105565	/nfs/dbraw/zinc/10/55/65/865105565.db2.gz	NUGHKRAETKFECG-PBFPGSCMSA-N	1	0	368.503	1.448	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3ccsc3C)[C@H]2C)C1=O	ZINC001088900927	865320781	/nfs/dbraw/zinc/32/07/81/865320781.db2.gz	LUJSKJHPMFMCPY-XOKHGSTOSA-N	1	0	361.511	1.965	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c3cccnc32)C[C@H]1C	ZINC001106878368	881870038	/nfs/dbraw/zinc/87/00/38/881870038.db2.gz	NPMLGJYBFXHAFO-RBSFLKMASA-N	1	0	369.469	1.551	20	30		FDEDRO
CC(=O)N1CC[C@@](C)(C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)C1	ZINC001088965049	865764937	/nfs/dbraw/zinc/76/49/37/865764937.db2.gz	YPUQZBUNPXHLBC-MFMILTCTSA-N	1	0	368.481	1.896	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H](CC)c3ccccc3)C[C@@H]2O)nn1	ZINC001083849127	881915483	/nfs/dbraw/zinc/91/54/83/881915483.db2.gz	OLIQUNBBFVIJAR-QRQLOZEOSA-N	1	0	369.469	1.780	20	30		FDEDRO
CC[N@H+](C)C[C@@H]1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000173500313	865977615	/nfs/dbraw/zinc/97/76/15/865977615.db2.gz	RRKNEQRGWUYOEV-SFHVURJKSA-N	1	0	369.469	1.554	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001089042461	866258665	/nfs/dbraw/zinc/25/86/65/866258665.db2.gz	ZXWZNAUJRUGKRR-WBMJQRKESA-N	1	0	351.410	1.378	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3c[nH]c4ncccc34)[C@H]2C)C1=O	ZINC001089047816	866293326	/nfs/dbraw/zinc/29/33/26/866293326.db2.gz	DGFYDTHBYIXUJO-XOKHGSTOSA-N	1	0	367.453	1.542	20	30		FDEDRO
C=CCC[C@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C(=O)OCC	ZINC000456619909	866992201	/nfs/dbraw/zinc/99/22/01/866992201.db2.gz	CCKJHGXRNJHJBA-INIZCTEOSA-N	1	0	360.458	1.461	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000992007240	867008829	/nfs/dbraw/zinc/00/88/29/867008829.db2.gz	RDOSJIYXDLZIIB-IBGATYGBSA-N	1	0	357.458	1.241	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)c2ccc3c[nH+]cn3c2C)C1	ZINC000992028398	867248330	/nfs/dbraw/zinc/24/83/30/867248330.db2.gz	LSJFBDOJIVTHEM-ROUUACIJSA-N	1	0	368.437	1.565	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](OC)C1	ZINC000946776032	882073490	/nfs/dbraw/zinc/07/34/90/882073490.db2.gz	YQZIZQAABIWZEN-HUUCEWRRSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1	ZINC000992038498	867373708	/nfs/dbraw/zinc/37/37/08/867373708.db2.gz	XOMUUNFMQCZZAC-KSZLIROESA-N	1	0	363.502	1.415	20	30		FDEDRO
C=CCn1c(CNC(=O)c2cccs2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1	ZINC000669805824	867548833	/nfs/dbraw/zinc/54/88/33/867548833.db2.gz	VREKGJRZXOIIQS-AWEZNQCLSA-N	1	0	374.514	1.986	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2	ZINC000994309933	882100137	/nfs/dbraw/zinc/10/01/37/882100137.db2.gz	AWJOCGCNOWRQEL-GDBMZVCRSA-N	1	0	369.469	1.339	20	30		FDEDRO
Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCCn1cnc(C#N)n1)[NH+](C)C	ZINC000508846859	867759358	/nfs/dbraw/zinc/75/93/58/867759358.db2.gz	AJXBVUYTBHCHMZ-WMLDXEAASA-N	1	0	355.446	1.449	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1O	ZINC000443047663	867939694	/nfs/dbraw/zinc/93/96/94/867939694.db2.gz	INOMEICISDQBNQ-RTBURBONSA-N	1	0	365.433	1.877	20	30		FDEDRO
CC[C@@H]1CN(C(=O)NCc2ccc(C#N)c(OC)c2)CC[N@@H+]1CCOC	ZINC000462469955	867999675	/nfs/dbraw/zinc/99/96/75/867999675.db2.gz	BLCGJWDHIFXYFX-QGZVFWFLSA-N	1	0	360.458	1.819	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]CCc2nnn(C(C)(C)C)n2)[C@H](C)C1	ZINC001106102761	868116305	/nfs/dbraw/zinc/11/63/05/868116305.db2.gz	VZOGGSJXRNNREK-HZPDHXFCSA-N	1	0	360.506	1.314	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NCc2ccco2)[C@H](C)C1	ZINC001106104577	868131594	/nfs/dbraw/zinc/13/15/94/868131594.db2.gz	ATMRMMFMKDNLGM-BRWVUGGUSA-N	1	0	359.470	1.628	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NCC(F)(F)F)[C@H](C)C1	ZINC001106105219	868138215	/nfs/dbraw/zinc/13/82/15/868138215.db2.gz	NZBPAYDQTSXXKJ-MGPQQGTHSA-N	1	0	361.408	1.397	20	30		FDEDRO
CC(=O)Nc1nc(C[NH2+]C[C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2C)cs1	ZINC001106105577	868141573	/nfs/dbraw/zinc/14/15/73/868141573.db2.gz	YHGZDFSNEUZORN-UKRRQHHQSA-N	1	0	362.499	1.945	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]2CC1	ZINC000946787691	882185274	/nfs/dbraw/zinc/18/52/74/882185274.db2.gz	AQMJHCDUAREXDH-SFFUCWETSA-N	1	0	363.502	1.225	20	30		FDEDRO
CC(C)C[C@H](C)OCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106113911	868470711	/nfs/dbraw/zinc/47/07/11/868470711.db2.gz	OBKXUONONCUXKR-IXDOHACOSA-N	1	0	366.506	1.152	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CCc2ccc3c(c2)CCO3)[C@H](C)C1	ZINC001106116815	868577896	/nfs/dbraw/zinc/57/78/96/868577896.db2.gz	OMZGCZXXJVBAAT-FUHIMQAGSA-N	1	0	370.493	1.886	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1	ZINC000946794057	882218158	/nfs/dbraw/zinc/21/81/58/882218158.db2.gz	XJVUZYJAZBBLLM-NJAFHUGGSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@H](C)NC(=O)C(=O)Nc1cccc(C(=O)NCC[NH+](CC)CC)c1	ZINC000465343097	869214805	/nfs/dbraw/zinc/21/48/05/869214805.db2.gz	LZJXQCFFCDDDOD-AWEZNQCLSA-N	1	0	360.458	1.387	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)NCC2=CC[N@H+](C)CC2)cc1C#N	ZINC000271845631	869298690	/nfs/dbraw/zinc/29/86/90/869298690.db2.gz	GNZXYERKXBPDSZ-UHFFFAOYSA-N	1	0	356.426	1.662	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1	ZINC001060419711	869468387	/nfs/dbraw/zinc/46/83/87/869468387.db2.gz	HICLKYHPMZLYLG-BBWFWOEESA-N	1	0	361.486	1.028	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)CC1	ZINC000992451269	869501302	/nfs/dbraw/zinc/50/13/02/869501302.db2.gz	DECABTIAKHJMGM-JTDSTZFVSA-N	1	0	355.482	1.261	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O	ZINC000913725812	869519528	/nfs/dbraw/zinc/51/95/28/869519528.db2.gz	AWQOTQQXODVZTG-OAHLLOKOSA-N	1	0	367.490	1.333	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N[C@](C)(CO)Cc1ccc(OC)c(OC)c1	ZINC000913810863	869691220	/nfs/dbraw/zinc/69/12/20/869691220.db2.gz	VTOAEDGMLZORMO-IBGZPJMESA-N	1	0	350.459	1.621	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccnc(N3CCCCC3)c2)CC1	ZINC000913993949	870268909	/nfs/dbraw/zinc/26/89/09/870268909.db2.gz	QCRIOEDZADMLND-UHFFFAOYSA-N	1	0	355.486	1.969	20	30		FDEDRO
Cc1cc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1C#N	ZINC000443990857	870312235	/nfs/dbraw/zinc/31/22/35/870312235.db2.gz	SQCKBNCNTLFYNW-UHFFFAOYSA-N	1	0	374.422	1.843	20	30		FDEDRO
C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C[C@@H](C)N1CC#N	ZINC000914018052	870367410	/nfs/dbraw/zinc/36/74/10/870367410.db2.gz	WJVZVAJMKVQMAD-IAGOWNOFSA-N	1	0	370.501	1.674	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H](CS(N)(=O)=O)C1)C(C)C	ZINC000914127517	870948237	/nfs/dbraw/zinc/94/82/37/870948237.db2.gz	KGBGDOVPTRLQKU-HZPDHXFCSA-N	1	0	372.535	1.005	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)NC1CC[NH+](CCO)CC1	ZINC000914155921	871144673	/nfs/dbraw/zinc/14/46/73/871144673.db2.gz	MJQYZVDNUOVZMV-UHFFFAOYSA-N	1	0	351.472	1.051	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNc2snc(Cl)c2C#N)CC[N@@H+]1C	ZINC001106142082	871154400	/nfs/dbraw/zinc/15/44/00/871154400.db2.gz	KTMRJICTNBBMSZ-JBLDHEPKSA-N	1	0	371.894	1.287	20	30		FDEDRO
CC[C@H](C)CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106178147	871624837	/nfs/dbraw/zinc/62/48/37/871624837.db2.gz	PQGPAEGWFYGUNP-GVDBMIGSSA-N	1	0	350.507	1.917	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)[nH]n2)[C@@H](n2ccnn2)C1	ZINC001128657291	882536349	/nfs/dbraw/zinc/53/63/49/882536349.db2.gz	RXWNOTCMMDQJAU-CVEARBPZSA-N	1	0	371.445	1.175	20	30		FDEDRO
CC(C)[C@@H](CNS(=O)(=O)Cc1csc(C#N)c1)N1CC[NH+](C)CC1	ZINC000914186875	871759634	/nfs/dbraw/zinc/75/96/34/871759634.db2.gz	AJXXTSSTXORZOF-MRXNPFEDSA-N	1	0	370.544	1.311	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H]2CCCN(C(=O)OCC)C2)CC1	ZINC000922069564	871789739	/nfs/dbraw/zinc/78/97/39/871789739.db2.gz	YDEOWLZXUAHREA-HZPDHXFCSA-N	1	0	364.490	1.640	20	30		FDEDRO
C[NH+](C)CCCOC1CCN(S(=O)(=O)Cc2csc(C#N)c2)CC1	ZINC000914225921	871922411	/nfs/dbraw/zinc/92/24/11/871922411.db2.gz	XORPZADCAQXISV-UHFFFAOYSA-N	1	0	371.528	1.882	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(C3CCCCC3)C2=O)CC1	ZINC000922126245	872265013	/nfs/dbraw/zinc/26/50/13/872265013.db2.gz	FQDBSESVVGBFPC-GOSISDBHSA-N	1	0	360.502	1.707	20	30		FDEDRO
CC(C)(C(=O)N[C@@H]1CN(Cc2ccc(OCC#N)cc2)C[C@@H]1O)C1CC1	ZINC001083712147	872284937	/nfs/dbraw/zinc/28/49/37/872284937.db2.gz	NTHLLORZTFJHSR-MSOLQXFVSA-N	1	0	357.454	1.686	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCc2nc(C(=O)OCC)cs2)CC1	ZINC000922137692	872345926	/nfs/dbraw/zinc/34/59/26/872345926.db2.gz	QOXUKZLLBWZUAT-UHFFFAOYSA-N	1	0	364.471	1.259	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN([C@@H](CC)C(=O)OC)CC2)CC1	ZINC000493809841	872386610	/nfs/dbraw/zinc/38/66/10/872386610.db2.gz	NJRVXHIMIYECFH-KRWDZBQOSA-N	1	0	366.506	1.306	20	30		FDEDRO
CC[C@H](C(=O)N1C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@]2(C)C1)[NH+](C)C	ZINC000992807302	872401769	/nfs/dbraw/zinc/40/17/69/872401769.db2.gz	FPUAGRVHZCZKSR-URKNILKWSA-N	1	0	357.458	1.147	20	30		FDEDRO
C=CCOc1ccc(C(=O)NCC2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC001003064072	872485240	/nfs/dbraw/zinc/48/52/40/872485240.db2.gz	AKYGOJRGWIBHRI-DNVCBOLYSA-N	1	0	371.481	1.780	20	30		FDEDRO
CC[NH+](CC)CCOCCNS(=O)(=O)Cc1c(C)cc(C#N)cc1C	ZINC000914365038	872529508	/nfs/dbraw/zinc/52/95/08/872529508.db2.gz	LCASYMPDNSFRFP-UHFFFAOYSA-N	1	0	367.515	1.953	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)Cc2csc(C#N)c2)C[C@@H]1[NH+]1CCCC1	ZINC000914391123	872699924	/nfs/dbraw/zinc/69/99/24/872699924.db2.gz	RBZMQNKJJUZDRO-LSDHHAIUSA-N	1	0	371.553	1.961	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1	ZINC001003224332	872812324	/nfs/dbraw/zinc/81/23/24/872812324.db2.gz	FPMQXAMLFOILJG-ROUUACIJSA-N	1	0	368.437	1.504	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cnccn2)[C@H](C)C1	ZINC001106184005	873085176	/nfs/dbraw/zinc/08/51/76/873085176.db2.gz	ZHWYNKWKGLNMPC-HUUCEWRRSA-N	1	0	359.474	1.702	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(C#N)c[nH]1	ZINC001003355160	873188506	/nfs/dbraw/zinc/18/85/06/873188506.db2.gz	LRFRVMJVHBIKAK-XYVMCAHJSA-N	1	0	369.469	1.622	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2occc2C)CC1	ZINC001003364128	873219729	/nfs/dbraw/zinc/21/97/29/873219729.db2.gz	ZKLZHIWCWAHDPK-KURKYZTESA-N	1	0	369.465	1.795	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1	ZINC000673275891	873232407	/nfs/dbraw/zinc/23/24/07/873232407.db2.gz	UCALNNLMBHRTGZ-UHFFFAOYSA-N	1	0	351.491	1.561	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2(C3CC3)CC2)CC1	ZINC001003365674	873244771	/nfs/dbraw/zinc/24/47/71/873244771.db2.gz	PHVKHLUMGSKNLF-QRVBRYPASA-N	1	0	369.509	1.770	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+]CCCS(=O)(=O)N(C)C)[C@H](C)C1	ZINC001106194668	873281541	/nfs/dbraw/zinc/28/15/41/873281541.db2.gz	WLHABOXMEHLADI-HZPDHXFCSA-N	1	0	359.536	1.308	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@]3(C)C2)cn1	ZINC000992949331	873360515	/nfs/dbraw/zinc/36/05/15/873360515.db2.gz	RZNUMHDPNMTSBF-LAUBAEHRSA-N	1	0	366.465	1.079	20	30		FDEDRO
Cc1cc(C#N)nc(NCC2(CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1	ZINC001090008614	873441599	/nfs/dbraw/zinc/44/15/99/873441599.db2.gz	LODQBJUGTDOQNG-GDBMZVCRSA-N	1	0	356.474	1.695	20	30		FDEDRO
CCn1ccc(C(=O)N[C@@H]2CN(Cc3ccc(C#N)s3)C[C@@H]2O)c1C	ZINC001083718739	873494879	/nfs/dbraw/zinc/49/48/79/873494879.db2.gz	SEZITBIPQIIGJE-SJORKVTESA-N	1	0	358.467	1.725	20	30		FDEDRO
CC[N@H+](CCNC(=O)N1C[C@H](C)N(CC#N)[C@@H](C)C1)CCC(F)(F)F	ZINC000922186818	873571795	/nfs/dbraw/zinc/57/17/95/873571795.db2.gz	BNUAMHJBAMRCPF-KBPBESRZSA-N	1	0	363.428	1.888	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)/C=C\C4CC4)C[C@@]3(C)C2)CC1	ZINC000993022135	873717826	/nfs/dbraw/zinc/71/78/26/873717826.db2.gz	YILWQXJLXMYWFR-KDMQOPFQSA-N	1	0	369.509	1.605	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](N(C)c3nc(C)cc(C#N)n3)C2)CC[N@@H+]1C	ZINC001061280684	873743311	/nfs/dbraw/zinc/74/33/11/873743311.db2.gz	BNKQGWHGMUIKBS-FGTMMUONSA-N	1	0	370.501	1.814	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(C)co2)C3)CC1	ZINC001005232533	882767910	/nfs/dbraw/zinc/76/79/10/882767910.db2.gz	SWGRSXSHLIXSFB-KURKYZTESA-N	1	0	369.465	1.795	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3cc(C)cn3c2)C[C@H]1C	ZINC001106222810	873963334	/nfs/dbraw/zinc/96/33/34/873963334.db2.gz	VBFWWLZVSDUCNU-SJLPKXTDSA-N	1	0	366.465	1.295	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3cnsn3)[C@H](C)C2)CCOCC1	ZINC001106232839	874038517	/nfs/dbraw/zinc/03/85/17/874038517.db2.gz	NPRYJGMEUJKTKS-HUUCEWRRSA-N	1	0	362.499	1.542	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3nc(N(C)C)no3)[C@H](C)C2)CCC1	ZINC001106236227	874061924	/nfs/dbraw/zinc/06/19/24/874061924.db2.gz	GWIYASSKKPCHAJ-HUUCEWRRSA-N	1	0	359.474	1.513	20	30		FDEDRO
C=CCCC(=O)N(C)[C@@H]1CCCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1	ZINC001078876076	874102498	/nfs/dbraw/zinc/10/24/98/874102498.db2.gz	NUVKNPIBYVGWDX-BRWVUGGUSA-N	1	0	351.491	1.511	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCC)[C@H](C)C1	ZINC001106252812	874143273	/nfs/dbraw/zinc/14/32/73/874143273.db2.gz	SZIQGDWTZQEJLG-IAGOWNOFSA-N	1	0	360.502	1.888	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2	ZINC001003747282	874157916	/nfs/dbraw/zinc/15/79/16/874157916.db2.gz	XZIXBLGIDFBKRS-DZVNLGKHSA-N	1	0	361.486	1.167	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106270127	874298669	/nfs/dbraw/zinc/29/86/69/874298669.db2.gz	UOPWUIHSFULNBT-SJLPKXTDSA-N	1	0	364.449	1.130	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c(C)noc2C(C)C)C[C@H]1C	ZINC001106277648	874359397	/nfs/dbraw/zinc/35/93/97/874359397.db2.gz	QXBRNMALFRHQCD-UKRRQHHQSA-N	1	0	360.458	1.154	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1Cn1c(C)cc(C=NN[C@H]2CCS(=O)(=O)C2)c1C	ZINC000914690147	874506214	/nfs/dbraw/zinc/50/62/14/874506214.db2.gz	LCIUYVXIKSGPAY-ZWKOTPCHSA-N	1	0	366.531	1.700	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ncn(-c3ccccc3)n2)C[C@H]1C	ZINC001106295746	874566003	/nfs/dbraw/zinc/56/60/03/874566003.db2.gz	WOEZALHEUQLWDK-IAGOWNOFSA-N	1	0	367.453	1.215	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2cc(C)c(Cl)cn2)C[C@H]1C	ZINC001106309774	874739919	/nfs/dbraw/zinc/73/99/19/874739919.db2.gz	FKCXTFSRZKDCFV-HZPDHXFCSA-N	1	0	363.889	1.920	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2c(C)nc3ccnn3c2C)C[C@H]1C	ZINC001106346443	874862681	/nfs/dbraw/zinc/86/26/81/874862681.db2.gz	DWHDJVSODPCTBK-RHSMWYFYSA-N	1	0	371.485	1.846	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCOCC(F)(F)F)C[C@H]1C	ZINC001106361824	874912883	/nfs/dbraw/zinc/91/28/83/874912883.db2.gz	QZTVWMBXLXLMAC-ZIAGYGMSSA-N	1	0	350.381	1.289	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c3ccccc32)C[C@H]1C	ZINC001106384599	875005598	/nfs/dbraw/zinc/00/55/98/875005598.db2.gz	NQFUBKHDMCBYFH-HUUCEWRRSA-N	1	0	352.438	1.215	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC2CC[NH+](CCC(=O)N(C)C)CC2)nc1	ZINC000495336635	875101205	/nfs/dbraw/zinc/10/12/05/875101205.db2.gz	KKFKPYGWBBVKNT-UHFFFAOYSA-N	1	0	359.474	1.352	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)COc2c(C)occc2=O)C[C@H]1C	ZINC001106406216	875148502	/nfs/dbraw/zinc/14/85/02/875148502.db2.gz	FCAPUSMXADRZTL-BXUZGUMPSA-N	1	0	354.834	1.764	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2cn(C)ccc2=O)C[C@H]1C	ZINC001106406408	875148759	/nfs/dbraw/zinc/14/87/59/875148759.db2.gz	IFCANSSHWWNRHI-DGCLKSJQSA-N	1	0	368.275	1.592	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@]3(C)C2)C1	ZINC000993159919	875165323	/nfs/dbraw/zinc/16/53/23/875165323.db2.gz	QEEPYIROZRQKCR-DKICVRJWSA-N	1	0	369.469	1.149	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C)cc(Cl)c2)C[C@H]1C	ZINC001106428778	875256842	/nfs/dbraw/zinc/25/68/42/875256842.db2.gz	LBCCRRLMEICLBY-GDBMZVCRSA-N	1	0	361.873	1.696	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCC(C)(C)CO2)C[C@H]1C	ZINC001106450441	875358174	/nfs/dbraw/zinc/35/81/74/875358174.db2.gz	HWYAIEWXNTZZJV-BRWVUGGUSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2cccc(OCC)n2)C[C@H]1C	ZINC001106456806	875409289	/nfs/dbraw/zinc/40/92/89/875409289.db2.gz	WVDGPDNQGSHMNF-IAGOWNOFSA-N	1	0	361.486	1.910	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)c(C)cn2)C[C@H]1C	ZINC001106460998	875447282	/nfs/dbraw/zinc/44/72/82/875447282.db2.gz	FQKAAHUDWPCIHA-BRWVUGGUSA-N	1	0	358.486	1.687	20	30		FDEDRO
COC[C@@]1(C(=O)N2C[C@@H](C[NH2+]CC#Cc3ccccc3)[C@H](C)C2)CCOC1	ZINC001106487348	875630326	/nfs/dbraw/zinc/63/03/26/875630326.db2.gz	YKJVDDQEKROKJY-UZKOGDIHSA-N	1	0	370.493	1.775	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]CCOCCOC)[C@H](C)C1	ZINC001106486245	875639689	/nfs/dbraw/zinc/63/96/89/875639689.db2.gz	MPDCBRBBXPOMEN-ZHALLVOQSA-N	1	0	356.507	1.562	20	30		FDEDRO
Cc1cccc(CCC(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)c1	ZINC001106489477	875658947	/nfs/dbraw/zinc/65/89/47/875658947.db2.gz	BGTMAKOGHJVHOD-SJLPKXTDSA-N	1	0	356.470	1.252	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)cc2)C[C@H]1C	ZINC001106491642	875686846	/nfs/dbraw/zinc/68/68/46/875686846.db2.gz	QFFDHRFAZNJHDH-IEBWSBKVSA-N	1	0	366.465	1.820	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2cccc(C)c2)C[C@H]1C	ZINC001106491875	875687049	/nfs/dbraw/zinc/68/70/49/875687049.db2.gz	VYFMKNKLALKPFH-WSTZPKSXSA-N	1	0	369.509	1.750	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2csc3ccccc32)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106492512	875695153	/nfs/dbraw/zinc/69/51/53/875695153.db2.gz	ZFNRIXFOIVOWNX-ZIAGYGMSSA-N	1	0	370.478	1.839	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2N(C)C(C)=O)C[C@H]1C	ZINC001106499075	875716804	/nfs/dbraw/zinc/71/68/04/875716804.db2.gz	AKIQUBHQPGZEPR-SJLPKXTDSA-N	1	0	371.481	1.617	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCCCOC)[C@H](C)C2)cc1	ZINC001106512885	875801228	/nfs/dbraw/zinc/80/12/28/875801228.db2.gz	WPSVDEXNVVNTBX-VQIMIIECSA-N	1	0	371.481	1.118	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)C2(n3cnnn3)CCCCC2)C[C@H]1C	ZINC001106517488	875812138	/nfs/dbraw/zinc/81/21/38/875812138.db2.gz	HAJDQZWHUSUPSZ-IAGOWNOFSA-N	1	0	360.506	1.983	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CCC)OC)C[C@H]1C	ZINC001106518009	875814315	/nfs/dbraw/zinc/81/43/15/875814315.db2.gz	CBDWNSZPAAZZJG-KURKYZTESA-N	1	0	367.534	1.910	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@H](O)COCC(F)(F)F)[C@H](C)C1	ZINC001106526955	875845029	/nfs/dbraw/zinc/84/50/29/875845029.db2.gz	BRTPRLARGUVXSV-MCIONIFRSA-N	1	0	366.424	1.823	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NCC)[C@H](C)C1	ZINC001106527643	875847749	/nfs/dbraw/zinc/84/77/49/875847749.db2.gz	YMEQAEPEEJQUSV-HZSPNIEDSA-N	1	0	352.479	1.117	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CCC2=O)[C@H](C)C1	ZINC001106533560	875885224	/nfs/dbraw/zinc/88/52/24/875885224.db2.gz	AFHZVAQVISMZOC-IAGOWNOFSA-N	1	0	361.486	1.403	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)Cn2cccn2)[C@H](C)C1	ZINC001106533589	875885289	/nfs/dbraw/zinc/88/52/89/875885289.db2.gz	BEQKUIMQJDMJCW-GUDVDZBRSA-N	1	0	360.502	1.512	20	30		FDEDRO
C[C@H]1C[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#Cc2ccccc2)[C@H](C)C1	ZINC001106538639	875902797	/nfs/dbraw/zinc/90/27/97/875902797.db2.gz	OGJRRGIMTNRJHI-CUDHKJQZSA-N	1	0	367.493	1.494	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)C2CC2)C[C@H]1C	ZINC001106563142	875961661	/nfs/dbraw/zinc/96/16/61/875961661.db2.gz	MPLQTFMIEDVNJA-HZPDHXFCSA-N	1	0	362.518	1.869	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)[C@H](C)C1	ZINC001106559197	875966395	/nfs/dbraw/zinc/96/63/95/875966395.db2.gz	IUOVWCQLCAINCE-BRWVUGGUSA-N	1	0	354.516	1.299	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCOCC)[C@H](C)C1	ZINC001106567938	875978086	/nfs/dbraw/zinc/97/80/86/875978086.db2.gz	XZXGVTLVDIYTLE-BRWVUGGUSA-N	1	0	353.507	1.426	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2c[nH]nc2[C@H]2CCCO2)C[C@H]1C	ZINC001106574436	875993673	/nfs/dbraw/zinc/99/36/73/875993673.db2.gz	IIHNLGNNJZQJBF-BFYDXBDKSA-N	1	0	362.474	1.762	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2(C(F)F)CCCC2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106575767	876007604	/nfs/dbraw/zinc/00/76/04/876007604.db2.gz	KTXVKBDZLOPISM-CHWSQXEVSA-N	1	0	356.417	1.136	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccoc2C2CC2)C[C@H]1C	ZINC001106585641	876046263	/nfs/dbraw/zinc/04/62/63/876046263.db2.gz	MURRMGSSONNLEI-IIAWOOMASA-N	1	0	357.454	1.593	20	30		FDEDRO
N#CCSCC(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@@H]1n1ccnn1	ZINC001128732300	882993460	/nfs/dbraw/zinc/99/34/60/882993460.db2.gz	XPRDSTOVKCQPEN-CVEARBPZSA-N	1	0	362.503	1.457	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(F)c(F)c2F)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106597653	876122994	/nfs/dbraw/zinc/12/29/94/876122994.db2.gz	GUZQKCYGAYGLEF-GHMZBOCLSA-N	1	0	368.359	1.041	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cc(C)nn2C)[C@H](C)C1	ZINC001106612612	876173486	/nfs/dbraw/zinc/17/34/86/876173486.db2.gz	FXBKQXUTPSTAND-GDBMZVCRSA-N	1	0	361.490	1.707	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCCCOC)[C@H](C)C2)CC1	ZINC001106628817	876273570	/nfs/dbraw/zinc/27/35/70/876273570.db2.gz	WKPDDXOLFSWFNR-SJLPKXTDSA-N	1	0	365.518	1.570	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NC)[C@H](C)C2)CC1	ZINC001106629702	876278664	/nfs/dbraw/zinc/27/86/64/876278664.db2.gz	UDRUREICZXZSCE-RBSFLKMASA-N	1	0	364.490	1.261	20	30		FDEDRO
C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O	ZINC001083733586	876341448	/nfs/dbraw/zinc/34/14/48/876341448.db2.gz	UVVYTAMFYREDCM-MSOLQXFVSA-N	1	0	368.437	1.188	20	30		FDEDRO
COC[C@H](OC)C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccc(F)cc2)[C@H](C)C1	ZINC001106643865	876350936	/nfs/dbraw/zinc/35/09/36/876350936.db2.gz	MNIYWYRKUJRDGR-SUMDDJOVSA-N	1	0	362.445	1.523	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]CCOCC(F)F)[C@H](C)C2)c1	ZINC001106651238	876391811	/nfs/dbraw/zinc/39/18/11/876391811.db2.gz	PWYFZYBWLAPLFW-CZUORRHYSA-N	1	0	351.397	1.642	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc[nH]c2C2CCC2)C[C@H]1C	ZINC001106662887	876439005	/nfs/dbraw/zinc/43/90/05/876439005.db2.gz	IOWDRZTZAIMYLS-BFYDXBDKSA-N	1	0	370.497	1.718	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2cncs2)C[C@H]1C	ZINC001106669769	876503901	/nfs/dbraw/zinc/50/39/01/876503901.db2.gz	FKXQFMZOCBDUGR-RBSFLKMASA-N	1	0	364.515	1.451	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2nccc3[nH]ccc32)C[C@H]1C	ZINC001106680678	876547694	/nfs/dbraw/zinc/54/76/94/876547694.db2.gz	CIIWKKNAASAQLF-QLFBSQMISA-N	1	0	369.469	1.551	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CN2C(=S)N=NC2c2cccs2)CC1	ZINC000917126244	883069382	/nfs/dbraw/zinc/06/93/82/883069382.db2.gz	SDJMKWDFCSYQPO-UHFFFAOYSA-N	1	0	362.484	1.399	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NCCCOC)[C@H](C)C1	ZINC001106705544	876884493	/nfs/dbraw/zinc/88/44/93/876884493.db2.gz	IFMDUMGNVQIUNW-IXDOHACOSA-N	1	0	367.534	1.814	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C3CC3)no2)C[C@H]1C	ZINC001106715244	876927101	/nfs/dbraw/zinc/92/71/01/876927101.db2.gz	CLXZWYFRDLWMHH-VNHYZAJKSA-N	1	0	360.458	1.540	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCC2CCOCC2)C[C@H]1C	ZINC001106727880	877009506	/nfs/dbraw/zinc/00/95/06/877009506.db2.gz	YKXPCRXILVSFHO-NVXWUHKLSA-N	1	0	351.491	1.180	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)CC1	ZINC000917137690	883111670	/nfs/dbraw/zinc/11/16/70/883111670.db2.gz	UYNMCGPMOARBTJ-KDOFPFPSSA-N	1	0	350.463	1.557	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2ncccn2)[C@H](C)C1	ZINC001106732988	877264740	/nfs/dbraw/zinc/26/47/40/877264740.db2.gz	DEWHVATWRPQWFP-OIISXLGYSA-N	1	0	359.474	1.132	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C(=O)NCc2ccc(F)cc2)C[C@H]1C	ZINC001106742846	877412597	/nfs/dbraw/zinc/41/25/97/877412597.db2.gz	VJJCJPXFDVZVEY-IUODEOHRSA-N	1	0	367.852	1.879	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2scnc2C2CC2)C[C@H]1C	ZINC001106745703	877459661	/nfs/dbraw/zinc/45/96/61/877459661.db2.gz	SDZWUHUYCCPTGV-TZMCWYRMSA-N	1	0	360.483	1.068	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCOCCOC)[C@H](C)C1	ZINC001106748661	877465196	/nfs/dbraw/zinc/46/51/96/877465196.db2.gz	IWQSAFFSABZWAH-YRXWBPOGSA-N	1	0	368.518	1.705	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCOCCOC)[C@H](C)C1	ZINC001106752761	877523529	/nfs/dbraw/zinc/52/35/29/877523529.db2.gz	KIZPPSAPCALLMW-BDXSIMOUSA-N	1	0	354.491	1.315	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCN2CCCC2=O)[C@H](C)C1	ZINC001106752464	877537051	/nfs/dbraw/zinc/53/70/51/877537051.db2.gz	SEYQDWKFRABRCU-VXNCWWDNSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)c2cc(C)oc2C)C[C@H]1C	ZINC001106767566	877647802	/nfs/dbraw/zinc/64/78/02/877647802.db2.gz	INJYDAJAOPQZFW-FRFSOERESA-N	1	0	361.486	1.986	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)nc2)C[C@H]1C	ZINC001106773835	877723098	/nfs/dbraw/zinc/72/30/98/877723098.db2.gz	KBSVTIODSARLTD-IEBWSBKVSA-N	1	0	370.497	1.629	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnn3ccccc23)C[C@H]1C	ZINC001106775374	877741470	/nfs/dbraw/zinc/74/14/70/877741470.db2.gz	AFNGMFKISGRQIR-BZUAXINKSA-N	1	0	369.469	1.323	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)c2ccccc2F)C[C@H]1C	ZINC001106776717	877743348	/nfs/dbraw/zinc/74/33/48/877743348.db2.gz	DJNKGOUJGNBTDE-BZUAXINKSA-N	1	0	359.445	1.363	20	30		FDEDRO
C#CC[C@H]1CCCN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C1	ZINC000843247625	877908739	/nfs/dbraw/zinc/90/87/39/877908739.db2.gz	BGZIJIKSYXPESX-KRWDZBQOSA-N	1	0	363.502	1.208	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC2CCC(N(C)C(=O)c3cc(C#N)c[nH]3)CC2)CC[N@@H+]1C	ZINC001004060175	877946193	/nfs/dbraw/zinc/94/61/93/877946193.db2.gz	LUHPQYUGMCQVIP-LHUBUQBQSA-N	1	0	371.485	1.726	20	30		FDEDRO
N#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc4c[nH+]cn4c2)C3)[nH]1	ZINC001004111914	878063094	/nfs/dbraw/zinc/06/30/94/878063094.db2.gz	YAHKYTVEXLNWEF-OLMNPRSZSA-N	1	0	374.404	1.710	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)CCC)C[C@H]1C	ZINC001106809704	878134849	/nfs/dbraw/zinc/13/48/49/878134849.db2.gz	FAVQZKFTGLNXGB-OWCLPIDISA-N	1	0	366.506	1.509	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)N2C[C@H]3CN(C(=O)C#CC4CC4)C[C@@]3(C)C2)C1	ZINC000993436900	878179515	/nfs/dbraw/zinc/17/95/15/878179515.db2.gz	IETRZDHYSSCWPQ-UTKZUKDTSA-N	1	0	357.498	1.439	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2conc2C(F)(F)F)C[C@H]1C(F)(F)F	ZINC001099279553	878220345	/nfs/dbraw/zinc/22/03/45/878220345.db2.gz	JXRYVUZMCYMBCG-RKDXNWHRSA-N	1	0	355.238	1.919	20	30		FDEDRO
C#CCN(C(=O)NCCn1cc(Br)cn1)C1CC[NH+](C)CC1	ZINC000922457917	878237618	/nfs/dbraw/zinc/23/76/18/878237618.db2.gz	MRAQAXAPBXBUMB-UHFFFAOYSA-N	1	0	368.279	1.385	20	30		FDEDRO
C#CCOc1ccc(C[NH2+]Cc2cn(CC(F)(F)F)c(=O)[nH]c2=O)cc1	ZINC000922494906	878333962	/nfs/dbraw/zinc/33/39/62/878333962.db2.gz	ABMXIICZGLLFED-UHFFFAOYSA-N	1	0	367.327	1.813	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)Cc2c(CC)nn(C)c2CC)[C@H](OC)C1	ZINC001212419796	912354727	/nfs/dbraw/zinc/35/47/27/912354727.db2.gz	CEZPONRXJNIANO-IEBWSBKVSA-N	1	0	362.518	1.869	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N(C)[C@@H]2CCN(Cc3ccc(C#N)s3)C2)C1	ZINC001033085163	878809383	/nfs/dbraw/zinc/80/93/83/878809383.db2.gz	OMJRUDJEUGHBKC-XJKCOSOUSA-N	1	0	360.483	1.567	20	30		FDEDRO
C#CCC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@H]1CCO[C@H]1C(=C)C)CC2	ZINC001128053628	912395958	/nfs/dbraw/zinc/39/59/58/912395958.db2.gz	BLGLWHHALIBLEX-GJYPPUQNSA-N	1	0	371.485	1.193	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc(OC)n2)C[C@H]1C	ZINC001106827248	878915376	/nfs/dbraw/zinc/91/53/76/878915376.db2.gz	NUFYESGMFYGOKO-QLFBSQMISA-N	1	0	360.458	1.079	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(c3ccccc3F)CC2)C[C@H]1C	ZINC001106827605	879095307	/nfs/dbraw/zinc/09/53/07/879095307.db2.gz	HSUBSQNLBZTDKQ-HZPDHXFCSA-N	1	0	371.456	1.291	20	30		FDEDRO
C#Cc1cccc(CNC(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1	ZINC000922782305	879259824	/nfs/dbraw/zinc/25/98/24/879259824.db2.gz	HGIPLXILULPTDF-ANTGDGSKSA-N	1	0	355.482	1.947	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc1OC	ZINC000262550321	879540655	/nfs/dbraw/zinc/54/06/55/879540655.db2.gz	QXMDBJFSCHQMMC-HNNXBMFYSA-N	1	0	361.442	1.187	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cnc4ccc(C)cc43)[C@H]2C1	ZINC001083173785	912475893	/nfs/dbraw/zinc/47/58/93/912475893.db2.gz	CUWMNSBSFWSHOL-RBUKOAKNSA-N	1	0	354.454	1.832	20	30		FDEDRO
CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1	ZINC001004498676	879724879	/nfs/dbraw/zinc/72/48/79/879724879.db2.gz	OODRKICCPDVERM-VNTMZGSJSA-N	1	0	360.498	1.764	20	30		FDEDRO
C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1	ZINC001004547181	879848390	/nfs/dbraw/zinc/84/83/90/879848390.db2.gz	MNGFEHYFGFITPH-OKZBNKHCSA-N	1	0	363.502	1.689	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)CC1	ZINC001004574851	879888374	/nfs/dbraw/zinc/88/83/74/879888374.db2.gz	FRTCUDYUQAALGU-HSALFYBXSA-N	1	0	370.497	1.624	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CC3CCC4(CC4)CC3)C[C@@H]2O)nn1	ZINC001083843786	879966400	/nfs/dbraw/zinc/96/64/00/879966400.db2.gz	ZPDCTIQEZCQVSA-WBVHZDCISA-N	1	0	359.474	1.209	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC000993865937	880024562	/nfs/dbraw/zinc/02/45/62/880024562.db2.gz	VEDBKFWUGVGRPW-TZMCWYRMSA-N	1	0	368.441	1.412	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC000993868819	880031957	/nfs/dbraw/zinc/03/19/57/880031957.db2.gz	HOZLZZQZGYWBLT-UKRRQHHQSA-N	1	0	357.458	1.195	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC000993910603	880119702	/nfs/dbraw/zinc/11/97/02/880119702.db2.gz	ZXKWPLITUMLRSB-GDBMZVCRSA-N	1	0	371.485	1.443	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccoc2Br)C[C@H]1C	ZINC001106837595	880206234	/nfs/dbraw/zinc/20/62/34/880206234.db2.gz	NDPGLWLKKSYTHM-CHWSQXEVSA-N	1	0	369.259	1.990	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)C3CCN(CC(F)F)CC3)[C@H]2C1	ZINC001083176620	912543184	/nfs/dbraw/zinc/54/31/84/912543184.db2.gz	DRKCFGYYQVOTQG-JKSUJKDBSA-N	1	0	357.445	1.451	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)[C@@H]3CC3(F)F)[C@H](C)C2)CC1	ZINC000993977124	880277588	/nfs/dbraw/zinc/27/75/88/880277588.db2.gz	LQUPYIUDWZGEKR-BMFZPTHFSA-N	1	0	367.440	1.198	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[N@@H+](CCOC)CC2(CCOCC2)C1	ZINC001089942235	912570886	/nfs/dbraw/zinc/57/08/86/912570886.db2.gz	RQSWZYJSAYSERI-KURKYZTESA-N	1	0	366.502	1.601	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C	ZINC000994161314	880864222	/nfs/dbraw/zinc/86/42/22/880864222.db2.gz	MWLBWOFPONZDRK-BRWVUGGUSA-N	1	0	360.502	1.839	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)[C@H]3CC34CCC4)C[C@H]2C)CC1	ZINC000994138283	880901561	/nfs/dbraw/zinc/90/15/61/880901561.db2.gz	AZSOZRNXRLVTJB-BHIYHBOVSA-N	1	0	371.525	1.733	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)C(C)(C)CC)C[C@H]2C)CC1	ZINC000994140412	880909474	/nfs/dbraw/zinc/90/94/74/880909474.db2.gz	OWCMVDUEQGXJMA-SJLPKXTDSA-N	1	0	361.530	1.979	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1	ZINC000994141436	880913432	/nfs/dbraw/zinc/91/34/32/880913432.db2.gz	VNKHLYCSYAEODK-ZMSDIMECSA-N	1	0	356.470	1.732	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CCn2cccc2)C[C@H]1C	ZINC000994195543	880988987	/nfs/dbraw/zinc/98/89/87/880988987.db2.gz	YQNAJLRZPDBNNF-QRVBRYPASA-N	1	0	370.497	1.187	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1	ZINC000265712636	912635094	/nfs/dbraw/zinc/63/50/94/912635094.db2.gz	CWZYZRRPNZJPDT-RBUKOAKNSA-N	1	0	371.485	1.127	20	30		FDEDRO
C#CCSCCNC(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000153795098	881260637	/nfs/dbraw/zinc/26/06/37/881260637.db2.gz	JUSBYPZWXUVGKK-UHFFFAOYSA-N	1	0	374.554	1.990	20	30		FDEDRO
C=CC[N@@H+](CC(=O)N(CC)c1c(N)n(CCCC)c(=O)[nH]c1=O)C(C)C	ZINC000917168174	883160348	/nfs/dbraw/zinc/16/03/48/883160348.db2.gz	RFQIVTAUGDDSQG-UHFFFAOYSA-N	1	0	365.478	1.581	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)CC1	ZINC000917242278	883240452	/nfs/dbraw/zinc/24/04/52/883240452.db2.gz	KVZZJZRCNHSHLA-INIZCTEOSA-N	1	0	362.424	1.940	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](Cc2cccc(C(N)=O)c2)C1	ZINC001033954251	883579380	/nfs/dbraw/zinc/57/93/80/883579380.db2.gz	MTWDOVHVEMSFNZ-OTWHNJEPSA-N	1	0	371.481	1.799	20	30		FDEDRO
C#CCC1(NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CCCCC1	ZINC000917677565	883680297	/nfs/dbraw/zinc/68/02/97/883680297.db2.gz	MXSJPVLODXNLMZ-UHFFFAOYSA-N	1	0	362.518	1.955	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)COCCOC)[C@@H](n2ccnn2)C1	ZINC001128834723	883805144	/nfs/dbraw/zinc/80/51/44/883805144.db2.gz	QVDYLDKEAHIHPO-SJORKVTESA-N	1	0	367.494	1.253	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H](n2ccnn2)C1	ZINC001128838524	883812796	/nfs/dbraw/zinc/81/27/96/883812796.db2.gz	IDLPOTYTSXTUEC-SJORKVTESA-N	1	0	359.478	1.556	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](n2ccnn2)C1	ZINC001128883983	883952864	/nfs/dbraw/zinc/95/28/64/883952864.db2.gz	SNGVYYWQXKIBOL-BMFZPTHFSA-N	1	0	356.430	1.389	20	30		FDEDRO
C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1	ZINC001034257154	884008173	/nfs/dbraw/zinc/00/81/73/884008173.db2.gz	UOAXXRDMEZDIGA-RCCFBDPRSA-N	1	0	358.486	1.882	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(OC)no2)[C@@H](n2ccnn2)C1	ZINC001128903259	884021378	/nfs/dbraw/zinc/02/13/78/884021378.db2.gz	LQMFTGKZFOYYJW-MJBXVCDLSA-N	1	0	360.418	1.285	20	30		FDEDRO
CC(C)C[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](n2ccnn2)C1	ZINC001128903661	884023720	/nfs/dbraw/zinc/02/37/20/884023720.db2.gz	UXZVMEQGFLCETN-QGTPRVQTSA-N	1	0	369.473	1.815	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1n1ccnn1	ZINC001128908332	884053783	/nfs/dbraw/zinc/05/37/83/884053783.db2.gz	RYMJXYAZCGHVMB-KSZLIROESA-N	1	0	359.474	1.382	20	30		FDEDRO
C[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1	ZINC001108123724	884082854	/nfs/dbraw/zinc/08/28/54/884082854.db2.gz	QBGHMKCWROLFNR-OLMNPRSZSA-N	1	0	364.453	1.610	20	30		FDEDRO
COc1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1C#N	ZINC001034398262	884290970	/nfs/dbraw/zinc/29/09/70/884290970.db2.gz	GITKWSNRCKFFEE-ZACQAIPSSA-N	1	0	370.453	1.159	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2CCCN(c3cc(CC)ncn3)C2)CC1	ZINC000918329708	884313939	/nfs/dbraw/zinc/31/39/39/884313939.db2.gz	XPLRCGFIPAGLHK-SFHVURJKSA-N	1	0	370.501	1.405	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCc2cnn(C)c2)C1	ZINC001034440820	884376946	/nfs/dbraw/zinc/37/69/46/884376946.db2.gz	YWXKWXVGJPHZNB-QYZOEREBSA-N	1	0	360.502	1.915	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(CC[NH2+][C@@H]2CCCNC2=O)CC1	ZINC001034573510	884525404	/nfs/dbraw/zinc/52/54/04/884525404.db2.gz	NIBSPLOMIRZNMC-KSZLIROESA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnnn2CC)CC1	ZINC001034647709	884613753	/nfs/dbraw/zinc/61/37/53/884613753.db2.gz	WUIHYPHQMFWUGL-AHCXZYCDSA-N	1	0	361.490	1.796	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)CC[NH+](C)C)CC1	ZINC001078972346	884671055	/nfs/dbraw/zinc/67/10/55/884671055.db2.gz	VIOOIDBJOYEQRM-KSZLIROESA-N	1	0	365.518	1.759	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1	ZINC000273354667	912862380	/nfs/dbraw/zinc/86/23/80/912862380.db2.gz	SERXJDBNKWTGBR-HNNXBMFYSA-N	1	0	374.441	1.075	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC001034733582	884924754	/nfs/dbraw/zinc/92/47/54/884924754.db2.gz	YCBOFABKDMCBEW-TUVASFSCSA-N	1	0	357.882	1.392	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1	ZINC001034737548	884944823	/nfs/dbraw/zinc/94/48/23/884944823.db2.gz	MGUDIXFTGQXQHH-WTLGNFPFSA-N	1	0	368.481	1.977	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCN(CC)C2=O)CC1	ZINC001034754719	884969883	/nfs/dbraw/zinc/96/98/83/884969883.db2.gz	PHAXBGLJTGLZFX-TXTZMMAHSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1CN(CCOCC2CC2)C[C@@H]1n1ccnn1	ZINC001129014402	885121228	/nfs/dbraw/zinc/12/12/28/885121228.db2.gz	IWIGFXJWLCOCOW-SJORKVTESA-N	1	0	361.490	1.649	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(C[NH2+][C@@H]2CCNC2=O)cc1	ZINC001034826410	885230719	/nfs/dbraw/zinc/23/07/19/885230719.db2.gz	NSKYVLPCEHRSKF-KSZLIROESA-N	1	0	357.454	1.262	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCC3CCOCC3)C[C@@H]2O)nc1	ZINC001083968977	912915658	/nfs/dbraw/zinc/91/56/58/912915658.db2.gz	NOEYZIBFTGUBQJ-MOPGFXCFSA-N	1	0	357.454	1.045	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC3CCC4(CC4)CC3)C[C@@H]2O)nc1	ZINC001083969585	912917015	/nfs/dbraw/zinc/91/70/15/912917015.db2.gz	KERUDZAWJFVFAX-MOPGFXCFSA-N	1	0	353.466	1.808	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)CCCc2ncc(C)o2)[C@@H](n2ccnn2)C1	ZINC001129042905	885512306	/nfs/dbraw/zinc/51/23/06/885512306.db2.gz	BSZCXUFRUGAJHW-CVEARBPZSA-N	1	0	358.446	1.515	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCCC)C[C@@H]2n2ccnn2)CCOCC1	ZINC001129043211	885518027	/nfs/dbraw/zinc/51/80/27/885518027.db2.gz	MXXXGZSXOTYAIK-SJORKVTESA-N	1	0	359.474	1.240	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(C(=O)NC)c1	ZINC001035054250	885562462	/nfs/dbraw/zinc/56/24/62/885562462.db2.gz	KGJVJCONRGGALY-QRVBRYPASA-N	1	0	371.481	1.718	20	30		FDEDRO
CC1(C)C[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+](Cc2ccccc2C#N)C1	ZINC001089492541	885642228	/nfs/dbraw/zinc/64/22/28/885642228.db2.gz	KEFOSWBIMXCNSR-KURKYZTESA-N	1	0	368.481	1.786	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)C2(C(F)(F)F)CCC2)[C@@H](n2ccnn2)C1	ZINC001129079405	885687151	/nfs/dbraw/zinc/68/71/51/885687151.db2.gz	JCZGLOUVSJTRSN-OLZOCXBDSA-N	1	0	355.364	1.376	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2CCC)[C@@H](n2ccnn2)C1	ZINC001129089273	885716082	/nfs/dbraw/zinc/71/60/82/885716082.db2.gz	JASZKYXDOQCQAD-OLMNPRSZSA-N	1	0	371.489	1.964	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cccn3nccc23)[C@@H](n2ccnn2)C1	ZINC001129089610	885716251	/nfs/dbraw/zinc/71/62/51/885716251.db2.gz	LQHYRKLYVMQJMJ-AEFFLSMTSA-N	1	0	365.441	1.547	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cncc3[nH]ccc32)[C@@H](n2ccnn2)C1	ZINC001129093305	885721360	/nfs/dbraw/zinc/72/13/60/885721360.db2.gz	DFZXQAFTHWFNGZ-MSOLQXFVSA-N	1	0	365.441	1.776	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(OC)nc2)[C@@H](n2ccnn2)C1	ZINC001129094055	885724896	/nfs/dbraw/zinc/72/48/96/885724896.db2.gz	XMDLXBKFCXHGTC-UAGQMJEPSA-N	1	0	370.457	1.692	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC[N@@H+]([C@H](C)C(=O)NC)C2)CC1	ZINC001035237010	885799639	/nfs/dbraw/zinc/79/96/39/885799639.db2.gz	HSXLZBMHBULPHB-IKGGRYGDSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCO[C@@H]3CC3(F)F)[C@H](C)C2)cn1	ZINC001106894871	885810949	/nfs/dbraw/zinc/81/09/49/885810949.db2.gz	XRFGUKFXMVEQRO-FRFSOERESA-N	1	0	363.408	1.785	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1n1ccnn1	ZINC001129127968	885822679	/nfs/dbraw/zinc/82/26/79/885822679.db2.gz	PFZVLMQCHSBMCF-AOIWGVFYSA-N	1	0	361.490	1.649	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001060733283	885826727	/nfs/dbraw/zinc/82/67/27/885826727.db2.gz	JXUNNNONXPIGKS-CWQOZTLDSA-N	1	0	363.502	1.156	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)Cc2c(C)nn(C)c2C)[C@@H](n2ccnn2)C1	ZINC001129139821	885843373	/nfs/dbraw/zinc/84/33/73/885843373.db2.gz	VYDPFBAEEKEDKZ-MSOLQXFVSA-N	1	0	371.489	1.179	20	30		FDEDRO
C#CCN(C(=O)NCc1n[nH]cc1Br)C1CC[NH+](C)CC1	ZINC000919557426	885851014	/nfs/dbraw/zinc/85/10/14/885851014.db2.gz	BGUGTQOZBMNHGB-UHFFFAOYSA-N	1	0	354.252	1.411	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCOC(C)C)C[C@@H]2n2ccnn2)cc1	ZINC001129144607	885865803	/nfs/dbraw/zinc/86/58/03/885865803.db2.gz	PIWDHYGBDCDZBU-MOPGFXCFSA-N	1	0	367.453	1.340	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC2CC(OCC)C2)C[C@@H]1n1ccnn1	ZINC001129159570	885892513	/nfs/dbraw/zinc/89/25/13/885892513.db2.gz	LHLSHOWOGZHSEG-BACDZXNISA-N	1	0	361.490	1.647	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2c(C)cnn2C)[C@@H](n2ccnn2)C1	ZINC001129159836	885894866	/nfs/dbraw/zinc/89/48/66/885894866.db2.gz	YBPATTVSKIRIAV-OAGGEKHMSA-N	1	0	357.462	1.330	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(Cc3ccc(C#N)cc3)CCO2)CC[N@@H+]1C	ZINC001035374667	885945399	/nfs/dbraw/zinc/94/53/99/885945399.db2.gz	CPYHASFVUFDFNY-SLFFLAALSA-N	1	0	370.497	1.606	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1n1ccnn1	ZINC001129185690	886083036	/nfs/dbraw/zinc/08/30/36/886083036.db2.gz	RGHXFKKLQZRHIZ-JQHSSLGASA-N	1	0	361.490	1.791	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(CC)CC)[C@H](C)C2)cn1	ZINC001106897096	886158833	/nfs/dbraw/zinc/15/88/33/886158833.db2.gz	ZWQSEFDNPBKNID-NVXWUHKLSA-N	1	0	370.497	1.665	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)C[C@@H]1C[C@H]1c1ccccc1	ZINC001127519301	886163835	/nfs/dbraw/zinc/16/38/35/886163835.db2.gz	JPWNYIIXODSVRN-ROUUACIJSA-N	1	0	356.470	1.648	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C(N)=O)nc1	ZINC000195141644	886252364	/nfs/dbraw/zinc/25/23/64/886252364.db2.gz	NHIRJUXOKCRZHW-UHFFFAOYSA-N	1	0	351.410	1.256	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CC3(C2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC3)c1	ZINC001035704363	886329774	/nfs/dbraw/zinc/32/97/74/886329774.db2.gz	KXRMPVCPWWBMNE-IAGOWNOFSA-N	1	0	354.410	1.648	20	30		FDEDRO
C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1OCCO[C@@H]1c1ccccc1)CC2	ZINC001035725431	886378693	/nfs/dbraw/zinc/37/86/93/886378693.db2.gz	SHEJHLYPJRLSQS-RTBURBONSA-N	1	0	354.450	1.701	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CN(Cc3cc(C)n(C)n3)C2)CC1	ZINC001035800785	886482652	/nfs/dbraw/zinc/48/26/52/886482652.db2.gz	LJLADKSKDBMACU-MSOLQXFVSA-N	1	0	358.486	1.744	20	30		FDEDRO
C=CCO[C@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001060740787	886665193	/nfs/dbraw/zinc/66/51/93/886665193.db2.gz	UWLBAYFCMZRTBM-DUQPFJRNSA-N	1	0	365.518	1.709	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2C[N@@H+](CCC[C@H](C)O)C[C@@H]2n2ccnn2)CC1	ZINC001129228321	886706916	/nfs/dbraw/zinc/70/69/16/886706916.db2.gz	NJTQISYVIYQXRJ-JQHSSLGASA-N	1	0	361.490	1.527	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(CC[N@@H+](C)[C@H]2CCNC2=O)CC1	ZINC001036603418	886903650	/nfs/dbraw/zinc/90/36/50/886903650.db2.gz	JTOFFXLMOWPKRM-SQNIBIBYSA-N	1	0	363.502	1.417	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC(CN(C)c3ccncc3C#N)CC2)CC[N@@H+]1C	ZINC001062234683	886990718	/nfs/dbraw/zinc/99/07/18/886990718.db2.gz	HXMYXRYYQRWGER-CRAIPNDOSA-N	1	0	355.486	1.968	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1	ZINC001062354232	887073334	/nfs/dbraw/zinc/07/33/34/887073334.db2.gz	XPCCWRJHMQYXMF-ZACQAIPSSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)CC1	ZINC000922907252	887185081	/nfs/dbraw/zinc/18/50/81/887185081.db2.gz	DVWALDJQOZWTCP-MJGOQNOKSA-N	1	0	354.454	1.403	20	30		FDEDRO
N#CCCn1ccc(NC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)n1	ZINC000363570066	887582236	/nfs/dbraw/zinc/58/22/36/887582236.db2.gz	VWAUOEVAAFPVRW-UHFFFAOYSA-N	1	0	360.462	1.763	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)Nc3ncn(C(C)(C)C)n3)CC2)CC1	ZINC000328616924	887593215	/nfs/dbraw/zinc/59/32/15/887593215.db2.gz	SXVGEAUCPRMJGU-UHFFFAOYSA-N	1	0	363.510	1.918	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CN(C(=O)Nc3ccn(CCC#N)n3)C[C@@H]2[C@H]1c1ccccc1	ZINC000372642417	887665943	/nfs/dbraw/zinc/66/59/43/887665943.db2.gz	CNUTWNZSCNWSIC-ZIFCJYIRSA-N	1	0	364.453	2.563	20	30		FDEDRO
C[C@]1(CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CCC[NH2+]C1	ZINC000415432491	887732574	/nfs/dbraw/zinc/73/25/74/887732574.db2.gz	FTUHFNPWWJWDGD-SFHVURJKSA-N	1	0	356.405	2.394	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1	ZINC000923013273	887770117	/nfs/dbraw/zinc/77/01/17/887770117.db2.gz	UFJGCGSELUCRQL-UHFFFAOYSA-N	1	0	358.446	1.349	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccc(C)cc2N2CCOCC2)CC1	ZINC000921385067	887831408	/nfs/dbraw/zinc/83/14/08/887831408.db2.gz	CHFUYVNOUOPGCK-UHFFFAOYSA-N	1	0	370.497	1.728	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1)C1CC[NH+](C)CC1	ZINC000921487251	888024965	/nfs/dbraw/zinc/02/49/65/888024965.db2.gz	GADISLVUNIENGS-QGZVFWFLSA-N	1	0	360.502	1.517	20	30		FDEDRO
C=C(C)COCCNC(=O)N[C@@H]1C[C@@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O	ZINC000921480435	888053345	/nfs/dbraw/zinc/05/33/45/888053345.db2.gz	JHTMUULRINPXBK-VXNCWWDNSA-N	1	0	353.507	1.748	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CCc2ccccc2NC1=O)C1CC[NH+](C)CC1	ZINC000923114120	888063854	/nfs/dbraw/zinc/06/38/54/888063854.db2.gz	GWEFYZAVTBCFEA-SFHVURJKSA-N	1	0	354.454	1.679	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](OC)C2CCCC2)C[C@H]1OC	ZINC001212262528	888166200	/nfs/dbraw/zinc/16/62/00/888166200.db2.gz	RAZRKMNRAACNCG-KZNAEPCWSA-N	1	0	352.475	1.047	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc(C(F)F)c2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106903838	888346585	/nfs/dbraw/zinc/34/65/85/888346585.db2.gz	MCNMVSKJWKMJKK-IUODEOHRSA-N	1	0	364.396	1.562	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCc2ccccn2)C[C@H]1C	ZINC001106904007	888381110	/nfs/dbraw/zinc/38/11/10/888381110.db2.gz	VYESEOGSUVDCFR-KZNAEPCWSA-N	1	0	370.497	1.226	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nc1	ZINC000938375320	888518313	/nfs/dbraw/zinc/51/83/13/888518313.db2.gz	QBRIAXAIINCUOX-XYJFISCASA-N	1	0	354.454	1.124	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@H]2CCNC(=O)CC2)CC1	ZINC001006021292	888758364	/nfs/dbraw/zinc/75/83/64/888758364.db2.gz	CZTFJUKQMSZMOY-NXHRZFHOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCO[C@H]2c2ccc(OC)nc2)CC1	ZINC000923382939	889061693	/nfs/dbraw/zinc/06/16/93/889061693.db2.gz	NRFBDNWEZCPVDN-AEFFLSMTSA-N	1	0	358.442	1.317	20	30		FDEDRO
CCNS(=O)(=O)[C@H]1CCN(Cn2c(C)nnc2-c2cccc(C#N)c2)C1	ZINC000179939382	889066818	/nfs/dbraw/zinc/06/68/18/889066818.db2.gz	PHKIRBARMYPVDX-INIZCTEOSA-N	1	0	374.470	1.096	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1OC	ZINC001212275813	889082540	/nfs/dbraw/zinc/08/25/40/889082540.db2.gz	OEIJZWMLKKXOMF-IPMKNSEASA-N	1	0	368.518	1.991	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1	ZINC001089692867	889093204	/nfs/dbraw/zinc/09/32/04/889093204.db2.gz	CWWNPSXIIPUZFV-OWCLPIDISA-N	1	0	351.491	1.592	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1	ZINC000923401460	889139782	/nfs/dbraw/zinc/13/97/82/889139782.db2.gz	NHYVOUPBGVTBIR-LZWOXQAQSA-N	1	0	357.376	1.757	20	30		FDEDRO
COc1ccc([C@H]2C[NH2+]CCN2C[C@@H](O)COc2ccccc2C#N)cc1	ZINC000923422530	889198351	/nfs/dbraw/zinc/19/83/51/889198351.db2.gz	HMFQAMULFZJQBJ-UYAOXDASSA-N	1	0	367.449	1.953	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1	ZINC000946902505	889263001	/nfs/dbraw/zinc/26/30/01/889263001.db2.gz	WBJZVCBWLFIZGT-NXHRZFHOSA-N	1	0	363.502	1.417	20	30		FDEDRO
CO[C@@H]1CCC[N@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000245850806	889286132	/nfs/dbraw/zinc/28/61/32/889286132.db2.gz	MIHLRFMSCMDHEF-RTBURBONSA-N	1	0	374.460	1.645	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@H]1C	ZINC001106910129	889403213	/nfs/dbraw/zinc/40/32/13/889403213.db2.gz	RNUYINPKXJDBSD-IIAWOOMASA-N	1	0	361.873	1.776	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N[C@@H]1C[C@@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O	ZINC000923488986	889464649	/nfs/dbraw/zinc/46/46/49/889464649.db2.gz	VPSWGKWSNJEMIW-KLBVCGFUSA-N	1	0	365.518	1.584	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1c(C)cccc1C	ZINC001127605084	889509893	/nfs/dbraw/zinc/50/98/93/889509893.db2.gz	RFZSHXWJTRXGDU-SJORKVTESA-N	1	0	359.470	1.929	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccc(C3(C)OCCO3)cc2)CC1	ZINC000923511463	889551094	/nfs/dbraw/zinc/55/10/94/889551094.db2.gz	RKCFHYVMMYBTGL-UHFFFAOYSA-N	1	0	357.454	1.803	20	30		FDEDRO
C[C@@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@H]1CCC[NH2+]C1	ZINC000415469677	889571475	/nfs/dbraw/zinc/57/14/75/889571475.db2.gz	XRFUVHYESPPLKU-OCCSQVGLSA-N	1	0	356.405	2.393	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(Nc2ccc(C(F)(F)F)c(C#N)n2)CC1	ZINC000443499457	889577906	/nfs/dbraw/zinc/57/79/06/889577906.db2.gz	HYIJUIICEGHDTR-UHFFFAOYSA-N	1	0	369.391	2.327	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@H]1CCc2ccccc2NC1=O	ZINC001127609270	889739144	/nfs/dbraw/zinc/73/91/44/889739144.db2.gz	SPRSVRKJKBDJSB-NJAFHUGGSA-N	1	0	357.454	1.627	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)C1	ZINC000923556436	889813023	/nfs/dbraw/zinc/81/30/23/889813023.db2.gz	XCJMLQYTYGCDSN-UFYCRDLUSA-N	1	0	371.529	1.448	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N[C@@H]2C[N@H+](CC[C@H](C)F)C[C@@H]2O)cc1	ZINC001084099262	913407224	/nfs/dbraw/zinc/40/72/24/913407224.db2.gz	MDVIHUHDHIRCOC-QGTPRVQTSA-N	1	0	350.434	1.703	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)c3cc(C#N)c[nH]3)CCC2)CC[N@@H+]1C	ZINC001062768492	890031922	/nfs/dbraw/zinc/03/19/22/890031922.db2.gz	AEPQKSGXIRZFID-GOEBONIOSA-N	1	0	357.458	1.385	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c1	ZINC000249504078	890371814	/nfs/dbraw/zinc/37/18/14/890371814.db2.gz	JUZUIBPBZWOJQC-RTBURBONSA-N	1	0	372.513	1.937	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1CN(CCNC(=O)NC(C)C)C[C@H]1OC	ZINC001212339085	890381039	/nfs/dbraw/zinc/38/10/39/890381039.db2.gz	XMYIMMIOZGFZML-HUUCEWRRSA-N	1	0	354.495	1.112	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1CN(CC(=O)N2CCCC[C@H]2C)C[C@H]1OC	ZINC001212340850	890456479	/nfs/dbraw/zinc/45/64/79/890456479.db2.gz	RJLCBCZWBDZUEB-BRWVUGGUSA-N	1	0	351.491	1.559	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](Nc3ccncc3C#N)CC2)CC[N@@H+]1C	ZINC001063408865	890522398	/nfs/dbraw/zinc/52/23/98/890522398.db2.gz	XGYURHARPCDRSP-LSTDLKDCSA-N	1	0	355.486	1.945	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC001006181137	890538074	/nfs/dbraw/zinc/53/80/74/890538074.db2.gz	RTNFTZHYYISYMB-UAGQMJEPSA-N	1	0	361.486	1.027	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1	ZINC000939880588	891434796	/nfs/dbraw/zinc/43/47/96/891434796.db2.gz	SGPZUJQPTJELIA-OXQOHEQNSA-N	1	0	367.493	1.515	20	30		FDEDRO
C=CCN1CC[C@@H]([NH+]2CCC(CNC(=O)[C@@H]3CCO[C@H]3C=C)CC2)C1=O	ZINC001001851590	891453618	/nfs/dbraw/zinc/45/36/18/891453618.db2.gz	MXLLRBPHHVVPRT-KURKYZTESA-N	1	0	361.486	1.193	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc[nH]c2C)C3)CC1	ZINC001001919188	891611692	/nfs/dbraw/zinc/61/16/92/891611692.db2.gz	POKLZYVCDQVDCG-QRQLOZEOSA-N	1	0	368.481	1.530	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C[C@H]2C)c1	ZINC000940012718	891634675	/nfs/dbraw/zinc/63/46/75/891634675.db2.gz	SJYNFYUAYPMGFK-LZQZEXGQSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C=C2CCC2)C3)CC1	ZINC001001957850	891680109	/nfs/dbraw/zinc/68/01/09/891680109.db2.gz	MSNQICODNLIPEI-QRVBRYPASA-N	1	0	355.482	1.690	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1	ZINC001002149794	891993267	/nfs/dbraw/zinc/99/32/67/891993267.db2.gz	DKTLJSVZPYDCTQ-AYBZRNKSSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)C23CCC[NH+]2CCC3)C1	ZINC001002216221	892239414	/nfs/dbraw/zinc/23/94/14/892239414.db2.gz	JMRBBVJNRUAAJU-SJORKVTESA-N	1	0	361.486	1.171	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2coc(C)n2)C3)CC1	ZINC001002223811	892263414	/nfs/dbraw/zinc/26/34/14/892263414.db2.gz	PYWZAHNEXBMQCM-NUJGCVRESA-N	1	0	370.453	1.190	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)cc(C)c2)C[C@H]1C	ZINC001106918773	892337000	/nfs/dbraw/zinc/33/70/00/892337000.db2.gz	WWMMKCFUMLAPSU-ZIFCJYIRSA-N	1	0	355.482	1.739	20	30		FDEDRO
CCC[C@@H](NC(N)=O)C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1	ZINC001106920460	892532693	/nfs/dbraw/zinc/53/26/93/892532693.db2.gz	ATNJNONJKFJSCA-ZTFGCOKTSA-N	1	0	371.485	1.579	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+][C@@H](CCCC)C(N)=O)[C@H](C)C1	ZINC001106923024	892599640	/nfs/dbraw/zinc/59/96/40/892599640.db2.gz	YFZDPRFGQIURFC-AHRSYUTCSA-N	1	0	369.509	1.939	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1	ZINC000940744786	893072385	/nfs/dbraw/zinc/07/23/85/893072385.db2.gz	KLKUGXQLDDZGKL-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cncnc2C2CC2)C[C@H]1C	ZINC001106937208	893074723	/nfs/dbraw/zinc/07/47/23/893074723.db2.gz	NZCNXUKBEOIINE-IIAWOOMASA-N	1	0	371.485	1.342	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)N(C)CC3)C[C@H]1C	ZINC001106937724	893090152	/nfs/dbraw/zinc/09/01/52/893090152.db2.gz	COWJCOHVSUZIEL-VQIMIIECSA-N	1	0	355.482	1.626	20	30		FDEDRO
C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2CCN(CC#N)CC2(C)C)CC1	ZINC000940750894	893114358	/nfs/dbraw/zinc/11/43/58/893114358.db2.gz	JYBVKPUZSLNCAG-SQNIBIBYSA-N	1	0	362.518	1.474	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000921974015	893711613	/nfs/dbraw/zinc/71/16/13/893711613.db2.gz	SVAGBYXGYFIGIQ-OAHLLOKOSA-N	1	0	367.490	1.827	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1	ZINC000672501401	893781363	/nfs/dbraw/zinc/78/13/63/893781363.db2.gz	TXVAKRXJGRKRRB-UHFFFAOYSA-N	1	0	365.518	1.951	20	30		FDEDRO
C=CCOc1ccccc1C(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000995128250	894026190	/nfs/dbraw/zinc/02/61/90/894026190.db2.gz	PPWDJMKKHHBLJO-FUHWJXTLSA-N	1	0	371.481	1.922	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)COc2ccc3c(c2)CCC3)C[C@H]1C	ZINC001106952644	894327788	/nfs/dbraw/zinc/32/77/88/894327788.db2.gz	SCLPVXCHSJDUET-YLJYHZDGSA-N	1	0	370.493	1.888	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cn(C)nc1C(F)(F)F	ZINC000922023568	894429701	/nfs/dbraw/zinc/42/97/01/894429701.db2.gz	VWRIDIRAJITUAT-UHFFFAOYSA-N	1	0	364.393	1.157	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(F)cc(F)c2)C[C@H]1C	ZINC001106954680	894700241	/nfs/dbraw/zinc/70/02/41/894700241.db2.gz	HZQRGIYOSIBGSH-UMVBOHGHSA-N	1	0	365.424	1.953	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1	ZINC000941786042	895690875	/nfs/dbraw/zinc/69/08/75/895690875.db2.gz	POXAKJBJZXWJTJ-HZPDHXFCSA-N	1	0	351.491	1.273	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@H]2CC[N@H+](CCc3ccc4c(c3)OCCO4)C[C@H]21	ZINC001084334069	914055189	/nfs/dbraw/zinc/05/51/89/914055189.db2.gz	NAZBXNWWHOLGKL-RTBURBONSA-N	1	0	366.461	1.946	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)Cc2cncc3ccccc32)[C@H](OC)C1	ZINC001212425856	896699364	/nfs/dbraw/zinc/69/93/64/896699364.db2.gz	HUBKFFSJYKBUSK-WOJBJXKFSA-N	1	0	369.465	1.795	20	30		FDEDRO
C#CCC1(NC(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)CCOCC1	ZINC000888384309	896740970	/nfs/dbraw/zinc/74/09/70/896740970.db2.gz	SIVCPCVDAVZUMR-QGZVFWFLSA-N	1	0	350.507	1.132	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cnn3c2CCCC3)[C@H](OC)C1	ZINC001212426273	896743914	/nfs/dbraw/zinc/74/39/14/896743914.db2.gz	VASMLZCEIFONMD-SZVBFZGTSA-N	1	0	360.502	1.932	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C4=CCOCC4)[C@@H]3C2)cc1	ZINC001084299198	914099156	/nfs/dbraw/zinc/09/91/56/914099156.db2.gz	IMZVLKUJYIAKAT-UYAOXDASSA-N	1	0	367.449	1.968	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)CC2(CCOCC2)C1	ZINC001089947298	896807009	/nfs/dbraw/zinc/80/70/09/896807009.db2.gz	BOOFSMYNDFJYIV-OTWHNJEPSA-N	1	0	360.498	1.812	20	30		FDEDRO
CC#CC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@H]3OCC[C@H]3CC)C2)n1	ZINC001128107036	896962124	/nfs/dbraw/zinc/96/21/24/896962124.db2.gz	LGRKJZJFSAGSPF-POAQFYNOSA-N	1	0	370.497	1.705	20	30		FDEDRO
C=CCN1CCO[C@](C)(CNC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1	ZINC001108004484	897062777	/nfs/dbraw/zinc/06/27/77/897062777.db2.gz	UXJPHKBJXBMQPU-GPMSIDNRSA-N	1	0	362.474	1.281	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nccn2C(F)F)C1	ZINC001000230426	897301003	/nfs/dbraw/zinc/30/10/03/897301003.db2.gz	CFPWXAWMFNXAHD-MJBXVCDLSA-N	1	0	354.401	1.950	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(c4ccccn4)C[C@H]3C)[C@@H]2C1	ZINC001084352053	914152911	/nfs/dbraw/zinc/15/29/11/914152911.db2.gz	OLPWOVGDGPXIKO-NCXUSEDFSA-N	1	0	352.482	1.710	20	30		FDEDRO
CC#CC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@H]3CC[C@@H](C)O3)C2)n1	ZINC001128133471	897438079	/nfs/dbraw/zinc/43/80/79/897438079.db2.gz	ZKPFQPGCIGZMME-BPQIPLTHSA-N	1	0	356.470	1.457	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)[C@H](OC)C2)CC1	ZINC000942596351	897502342	/nfs/dbraw/zinc/50/23/42/897502342.db2.gz	ZVLINKSVZPFCJT-FGTMMUONSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](C[C@H](O)c2ccc(F)cc2)C1	ZINC001032044589	897699645	/nfs/dbraw/zinc/69/96/45/897699645.db2.gz	ZDHOYYMXJWHOIX-FHWLQOOXSA-N	1	0	362.445	1.888	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCN2CCCC2=O)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106993971	898214861	/nfs/dbraw/zinc/21/48/61/898214861.db2.gz	BDPIAKIJDJVUQA-UYAOXDASSA-N	1	0	367.493	1.735	20	30		FDEDRO
CC[C@H](C)C(=O)NCC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1	ZINC001106994303	898254817	/nfs/dbraw/zinc/25/48/17/898254817.db2.gz	IPFVBUMJFKFCPC-NLWGTHIKSA-N	1	0	369.509	1.885	20	30		FDEDRO
CC[C@@H](C)C(=O)NCC(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1	ZINC001106994757	898273772	/nfs/dbraw/zinc/27/37/72/898273772.db2.gz	QNMTUAJDCSJPFZ-GPMSIDNRSA-N	1	0	370.497	1.905	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](OC)C1	ZINC000943068455	898319053	/nfs/dbraw/zinc/31/90/53/898319053.db2.gz	CRBJRCIQYVXNJH-IAGOWNOFSA-N	1	0	370.453	1.892	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000943285282	898618427	/nfs/dbraw/zinc/61/84/27/898618427.db2.gz	LWFFEKWQNNVZIC-XYJFISCASA-N	1	0	371.485	1.728	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC000943403527	898836493	/nfs/dbraw/zinc/83/64/93/898836493.db2.gz	LDDCTNZMZATBBQ-ATZDWAIDSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2COCCN2C(C)=O)C[C@H]1C	ZINC001107002977	899163091	/nfs/dbraw/zinc/16/30/91/899163091.db2.gz	YODUAFYQCGIFIH-BHIYHBOVSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCn1cccc1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C2	ZINC001001694658	899184557	/nfs/dbraw/zinc/18/45/57/899184557.db2.gz	HOEXHEXLAHOBPA-NCOADZHNSA-N	1	0	356.470	1.630	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CCOC2)C3)CC1	ZINC001001772911	899307047	/nfs/dbraw/zinc/30/70/47/899307047.db2.gz	QRJPBLJQWRKGLT-AITUJVMLSA-N	1	0	373.497	1.006	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C)cc1	ZINC000943784222	899375908	/nfs/dbraw/zinc/37/59/08/899375908.db2.gz	DCCVVQAICIHBCF-QRVBRYPASA-N	1	0	371.481	1.604	20	30		FDEDRO
CCN1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CC#Cc3ccccc3)[C@H](C)C2)C1	ZINC001107008926	899484490	/nfs/dbraw/zinc/48/44/90/899484490.db2.gz	CPWNEBPACHIYIG-NRSPTQNISA-N	1	0	369.509	1.443	20	30		FDEDRO
CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C	ZINC001107017333	899555112	/nfs/dbraw/zinc/55/51/12/899555112.db2.gz	UDBUNLABBRSCHP-UYAOXDASSA-N	1	0	369.509	1.885	20	30		FDEDRO
C=C[C@@H](C(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1)c1ccccc1	ZINC001107019272	899562285	/nfs/dbraw/zinc/56/22/85/899562285.db2.gz	ZJMUSXRLSNECQJ-BHIYHBOVSA-N	1	0	370.497	1.666	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1	ZINC000944233522	900007582	/nfs/dbraw/zinc/00/75/82/900007582.db2.gz	BDIKAWOMIBCTLO-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
Cc1ccccc1C[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001107052096	900145787	/nfs/dbraw/zinc/14/57/87/900145787.db2.gz	YVVAOLJJKYZHHD-ZHALLVOQSA-N	1	0	370.497	1.498	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C[C@H]1C	ZINC001107056922	900255057	/nfs/dbraw/zinc/25/50/57/900255057.db2.gz	CKXHSQWIVZVUQC-YQPWEIMNSA-N	1	0	359.514	1.653	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC(C)CC2)[C@H](C)C1	ZINC001107058814	900291094	/nfs/dbraw/zinc/29/10/94/900291094.db2.gz	BJAREXOWJZDWMB-QZTJIDSGSA-N	1	0	365.518	1.522	20	30		FDEDRO
Cc1cc(OCC(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)no1	ZINC001084424210	914431694	/nfs/dbraw/zinc/43/16/94/914431694.db2.gz	WREMQLNAHNDGDV-QZTJIDSGSA-N	1	0	366.421	1.966	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C3CC3)n2C)[C@H](C)C1	ZINC001107062142	900440353	/nfs/dbraw/zinc/44/03/53/900440353.db2.gz	AMUZAZLHLVYBSX-IJEWVQPXSA-N	1	0	361.490	1.468	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+][C@H](C)c2nc(CC)no2)[C@H](C)C1	ZINC001107062237	900442465	/nfs/dbraw/zinc/44/24/65/900442465.db2.gz	DYQVFHYDYSSLLK-RBSFLKMASA-N	1	0	350.463	1.970	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc3nonc3c2)[C@H](C)C1	ZINC001107063162	900448260	/nfs/dbraw/zinc/44/82/60/900448260.db2.gz	DJNVKHMDEAJKQI-IIAWOOMASA-N	1	0	358.442	1.998	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(F)s2)C[C@H]1C	ZINC001107071367	900497106	/nfs/dbraw/zinc/49/71/06/900497106.db2.gz	KGXRFTLXLJSCHX-FRRDWIJNSA-N	1	0	353.463	1.876	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)NC(N)=O)[C@H](C)C2)CCCC1	ZINC001107099258	900981287	/nfs/dbraw/zinc/98/12/87/900981287.db2.gz	AILIVWCMJRBGMI-RBSFLKMASA-N	1	0	364.490	1.390	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cn(CC=C)nn2)[C@@H](n2ccnn2)C1	ZINC001129307645	901068096	/nfs/dbraw/zinc/06/80/96/901068096.db2.gz	JMJTYJYRIOICLM-INMHGKMJSA-N	1	0	370.461	1.066	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)c4cc(C#N)c[nH]4)C3)CC2)CC[N@@H+]1C	ZINC000944949549	901093278	/nfs/dbraw/zinc/09/32/78/901093278.db2.gz	XSBUQBHSGXXQOI-GDBMZVCRSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cccc3nnn(C)c32)C[C@H]1C	ZINC001107101938	901160935	/nfs/dbraw/zinc/16/09/35/901160935.db2.gz	GBAOXCAFHJDUCI-HUUCEWRRSA-N	1	0	357.458	1.469	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CCC2)CC1	ZINC001064649323	901515371	/nfs/dbraw/zinc/51/53/71/901515371.db2.gz	OPYMLXADZURMAV-KURKYZTESA-N	1	0	373.497	1.054	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1CC[C@H]2CN(c3cc(C#N)nc(CC)n3)C[C@H]21	ZINC001090327509	901709817	/nfs/dbraw/zinc/70/98/17/901709817.db2.gz	KKRBHSIDPHIOLN-DOTOQJQBSA-N	1	0	370.501	1.680	20	30		FDEDRO
N#Cc1cc(CN2C[C@@H](NC(=O)[C@@H]3CC34CCCC4)[C@@H](O)C2)ccc1F	ZINC001083921833	901720030	/nfs/dbraw/zinc/72/00/30/901720030.db2.gz	WVKZVVMRGZSWOX-JQHSSLGASA-N	1	0	357.429	1.939	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2CN(c3ccc(C#N)cn3)C[C@H]21	ZINC001090340626	901757154	/nfs/dbraw/zinc/75/71/54/901757154.db2.gz	JPQPEXSVXNODDK-YESZJQIVSA-N	1	0	359.449	1.670	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C/C=C/c2ccc(C)cc2)C[C@H]1C	ZINC001107114414	901787109	/nfs/dbraw/zinc/78/71/09/901787109.db2.gz	RGWXITJTQMWYDV-YHTLKTDXSA-N	1	0	367.493	1.832	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(C)on2)C3)CC1	ZINC000995704171	901889566	/nfs/dbraw/zinc/88/95/66/901889566.db2.gz	VFVQFHKAYMBOFI-RYRKJORJSA-N	1	0	370.453	1.190	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnn(C)c2)C1	ZINC001079126899	901927199	/nfs/dbraw/zinc/92/71/99/901927199.db2.gz	FRCQLGQSBZZOJU-RTBURBONSA-N	1	0	354.454	1.684	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2nnn(C)c2C)C1	ZINC001079131101	901940921	/nfs/dbraw/zinc/94/09/21/901940921.db2.gz	AMXNEFUDXRUCHS-QZTJIDSGSA-N	1	0	369.469	1.387	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccn(C)c2)C1	ZINC001079132504	901946026	/nfs/dbraw/zinc/94/60/26/901946026.db2.gz	QULBNAIVNFTTTA-WOJBJXKFSA-N	1	0	351.450	1.736	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnn(C)n2)C1	ZINC001079146077	901962430	/nfs/dbraw/zinc/96/24/30/901962430.db2.gz	QPKKTSMMGBSHDN-QZTJIDSGSA-N	1	0	355.442	1.079	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2[nH]cnc2C)C1	ZINC001079147552	901973679	/nfs/dbraw/zinc/97/36/79/901973679.db2.gz	WJKQRZMNBCHUBR-QZTJIDSGSA-N	1	0	354.454	1.982	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CN2CCCC2=O)CC[C@H]1c1ccc(F)cc1	ZINC001079148725	901976859	/nfs/dbraw/zinc/97/68/59/901976859.db2.gz	JOUHBARQXHXKMC-ZWKOTPCHSA-N	1	0	359.445	1.908	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn(CC)n2)CC[C@H]1c1ccc(F)cc1	ZINC001079151335	901985873	/nfs/dbraw/zinc/98/58/73/901985873.db2.gz	MDDSTGIXMBWEGD-FUHWJXTLSA-N	1	0	355.417	1.658	20	30		FDEDRO
C#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1	ZINC001079134836	901999176	/nfs/dbraw/zinc/99/91/76/901999176.db2.gz	UQJGPGJJGKMRKH-NJDAHSKKSA-N	1	0	367.493	1.035	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)CC[C@H]1c1ccc(F)cc1	ZINC001079155672	902072572	/nfs/dbraw/zinc/07/25/72/902072572.db2.gz	MSRRDVSTUYLSBR-DLBZAZTESA-N	1	0	368.412	1.141	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)CC[C@H]1c1ccc(F)cc1	ZINC001079159090	902080293	/nfs/dbraw/zinc/08/02/93/902080293.db2.gz	JNLWRVTVXOPDQW-MAUKXSAKSA-N	1	0	368.412	1.474	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cn2nccc2C)CC[C@H]1c1ccc(F)cc1	ZINC001079159332	902082430	/nfs/dbraw/zinc/08/24/30/902082430.db2.gz	WUVRCLRBLGQBGI-RBUKOAKNSA-N	1	0	354.429	1.938	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC(=O)N2C)CC[C@H]1c1ccc(F)cc1	ZINC001079162217	902088214	/nfs/dbraw/zinc/08/82/14/902088214.db2.gz	AABFBPOGOIEKKD-OTWHNJEPSA-N	1	0	371.456	1.744	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCC(=O)N2)C[C@H]1c1cccc(F)c1	ZINC001079198771	902097606	/nfs/dbraw/zinc/09/76/06/902097606.db2.gz	QZMIHEUHJSQYGK-RCCFBDPRSA-N	1	0	357.429	1.402	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]cn2)C[C@H]1c1cccc(F)c1	ZINC001079202444	902103327	/nfs/dbraw/zinc/10/33/27/902103327.db2.gz	XFDALXZRLKZORF-ZOCIIQOWSA-N	1	0	354.429	1.945	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2conc2COC)C[C@H]1c1cccc(F)c1	ZINC001079207055	902112943	/nfs/dbraw/zinc/11/29/43/902112943.db2.gz	LXVZMJPKHSMPGN-DOTOQJQBSA-N	1	0	357.385	1.791	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC)C2)C[C@H]1c1cccc(F)c1	ZINC001079186140	902130652	/nfs/dbraw/zinc/13/06/52/902130652.db2.gz	BQNYYIUQMWNZQR-BPQIPLTHSA-N	1	0	359.445	1.764	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc3n[nH]cc3c2)C[C@H]1c1cccc(F)c1	ZINC001079188736	902136961	/nfs/dbraw/zinc/13/69/61/902136961.db2.gz	NYIBPODUVWONCE-ZWKOTPCHSA-N	1	0	363.396	1.928	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1c1cccc(F)c1	ZINC001079189725	902142821	/nfs/dbraw/zinc/14/28/21/902142821.db2.gz	YOOWDIDHHUWLPK-DLBZAZTESA-N	1	0	360.433	1.311	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(CC)n(C)n2)C[C@H]1c1cccc(F)c1	ZINC001079212069	902196210	/nfs/dbraw/zinc/19/62/10/902196210.db2.gz	HJAGXRFDBWFTHE-PKOBYXMFSA-N	1	0	354.429	1.953	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3ccc(C)nc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079223802	902227172	/nfs/dbraw/zinc/22/71/72/902227172.db2.gz	MBQIALINUXHWJO-RBUKOAKNSA-N	1	0	353.466	1.966	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cc(C)n(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079227260	902239871	/nfs/dbraw/zinc/23/98/71/902239871.db2.gz	KEHUMICCNRUCJT-FUHWJXTLSA-N	1	0	356.470	1.305	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC2(CC[NH+](Cc3cnn(C)c3)CC2)[C@H]2COC[C@H]21	ZINC001079228435	902242826	/nfs/dbraw/zinc/24/28/26/902242826.db2.gz	MJYDZAHDIYTVOO-BHYGNILZSA-N	1	0	357.458	1.019	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079246217	902256955	/nfs/dbraw/zinc/25/69/55/902256955.db2.gz	WLKDFLZFALSOMP-XLMAVXFVSA-N	1	0	356.470	1.639	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3onc(C)c3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079247333	902261811	/nfs/dbraw/zinc/26/18/11/902261811.db2.gz	YPSGMTFUPOSBNJ-DLBZAZTESA-N	1	0	357.454	1.868	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC(=O)NC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079249940	902267287	/nfs/dbraw/zinc/26/72/87/902267287.db2.gz	CIBGWIOAKJEEJY-YESZJQIVSA-N	1	0	361.486	1.028	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3n[nH]c4c3CCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079250229	902268463	/nfs/dbraw/zinc/26/84/63/902268463.db2.gz	TXMQNQCVQGFNBF-FUHWJXTLSA-N	1	0	368.481	1.475	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@H]3Cc4ccccc4O3)[C@@H]3COC[C@@H]32)CC1	ZINC001079251071	902270500	/nfs/dbraw/zinc/27/05/00/902270500.db2.gz	DRQLOEOHROFCSQ-NLWGTHIKSA-N	1	0	366.461	1.563	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079254359	902279696	/nfs/dbraw/zinc/27/96/96/902279696.db2.gz	ZBTDFCCZOALWAO-VXIBKDFQSA-N	1	0	368.481	1.096	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCc4nc[nH]c43)[C@@H]3COC[C@@H]32)CC1	ZINC001079260549	902297184	/nfs/dbraw/zinc/29/71/84/902297184.db2.gz	BMGBQBCGGCYNRP-XYJFISCASA-N	1	0	370.497	1.955	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCc4nc[nH]c43)[C@@H]3COC[C@@H]32)CC1	ZINC001079260548	902297828	/nfs/dbraw/zinc/29/78/28/902297828.db2.gz	BMGBQBCGGCYNRP-SOLBZPMBSA-N	1	0	370.497	1.955	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)Cc3cccnc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079260716	902299029	/nfs/dbraw/zinc/29/90/29/902299029.db2.gz	MDWJRTZWCYCMPJ-VQTJNVASSA-N	1	0	367.493	1.895	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(CC[NH+](CC3CC3)CC2)[C@H]2COC[C@H]21	ZINC001079261722	902300661	/nfs/dbraw/zinc/30/06/61/902300661.db2.gz	FBLRFOLJGCCJLA-HCXYKTFWSA-N	1	0	360.498	1.927	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)C3Cc4ccccc4C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079262818	902304207	/nfs/dbraw/zinc/30/42/07/902304207.db2.gz	CREUGKYGSKJQHF-LEWJYISDSA-N	1	0	364.489	1.974	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3ccn(CC)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079263599	902306920	/nfs/dbraw/zinc/30/69/20/902306920.db2.gz	CHPWGVBPIQPVCO-FUHWJXTLSA-N	1	0	356.470	1.479	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)CCc3ncccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079266757	902315529	/nfs/dbraw/zinc/31/55/29/902315529.db2.gz	HISZTEYNNPBYGA-ZWKOTPCHSA-N	1	0	368.481	1.372	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cn(CC)cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079270246	902328187	/nfs/dbraw/zinc/32/81/87/902328187.db2.gz	JBNOWLOUXCZPNB-FUHWJXTLSA-N	1	0	356.470	1.479	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)Cc3ccn(CC)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079243307	902342502	/nfs/dbraw/zinc/34/25/02/902342502.db2.gz	XZIQMIJGHIMESB-ZWKOTPCHSA-N	1	0	356.470	1.018	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCCC(=O)N2)C[C@H]1c1ccccc1F	ZINC001079301560	902349468	/nfs/dbraw/zinc/34/94/68/902349468.db2.gz	CVBUWTODPYOAHV-QILLFSRXSA-N	1	0	357.429	1.402	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1c1ccccc1F	ZINC001079302212	902350574	/nfs/dbraw/zinc/35/05/74/902350574.db2.gz	RMNXYXVHSLSREG-DZGCQCFKSA-N	1	0	357.385	1.901	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCNC(=O)CC2)C[C@H]1c1ccccc1F	ZINC001079304061	902351538	/nfs/dbraw/zinc/35/15/38/902351538.db2.gz	PAZRZGOJZQMPPH-UWWQBHOKSA-N	1	0	357.429	1.259	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cnns2)C(C)(C)C1	ZINC000995832328	902356157	/nfs/dbraw/zinc/35/61/57/902356157.db2.gz	MOSFQMCUMPLYBF-ILXRZTDVSA-N	1	0	350.488	1.846	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)CC1(C)C	ZINC000995833159	902358693	/nfs/dbraw/zinc/35/86/93/902358693.db2.gz	MOMBIDULHKLOCW-CDXJDZJCSA-N	1	0	369.465	1.930	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC34CCOCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079278223	902365647	/nfs/dbraw/zinc/36/56/47/902365647.db2.gz	NAOTVTMHWZOUNE-OKZBNKHCSA-N	1	0	358.482	1.376	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2COCCN2C)C[C@H]1c1ccccc1F	ZINC001079291659	902390464	/nfs/dbraw/zinc/39/04/64/902390464.db2.gz	GCMXALFCWSIKEJ-UHOSZYNNSA-N	1	0	361.461	1.616	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1c1ccccc1F	ZINC001079292470	902393595	/nfs/dbraw/zinc/39/35/95/902393595.db2.gz	VLVNEZBPTOJNKR-DOTOQJQBSA-N	1	0	357.433	1.915	20	30		FDEDRO
CN1CC[C@H]([NH2+][C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2c2ccccc2F)C1=O	ZINC001079294903	902395726	/nfs/dbraw/zinc/39/57/26/902395726.db2.gz	CRPBCLMWNNLWPW-YTQUADARSA-N	1	0	369.440	1.354	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2ccnn2C)C[C@H]1c1ccccc1F	ZINC001079295758	902400501	/nfs/dbraw/zinc/40/05/01/902400501.db2.gz	RTRXFGVZSIJSRZ-UWWQBHOKSA-N	1	0	354.429	1.880	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CC)C[C@H]1c1ccccc1F	ZINC001079317647	902415916	/nfs/dbraw/zinc/41/59/16/902415916.db2.gz	LXPRVIDSMWJMGP-HHXXYDBFSA-N	1	0	371.456	1.744	20	30		FDEDRO
C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1(C)C	ZINC000995959843	902792124	/nfs/dbraw/zinc/79/21/24/902792124.db2.gz	KTIRKVCCVMJECV-XQQFMLRXSA-N	1	0	350.381	1.735	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)Cc1cncnc1	ZINC001079634329	902921359	/nfs/dbraw/zinc/92/13/59/902921359.db2.gz	IUFSXTUCYDIWSF-DNVCBOLYSA-N	1	0	365.437	1.558	20	30		FDEDRO
C=C(Br)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1	ZINC001084455596	914705911	/nfs/dbraw/zinc/70/59/11/914705911.db2.gz	BKHZLCFICAGVNC-QLFBSQMISA-N	1	0	356.308	1.912	20	30		FDEDRO
CCN1C[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)CC1=O	ZINC001079798830	903361634	/nfs/dbraw/zinc/36/16/34/903361634.db2.gz	RNGMOLAMURSBCJ-ZTFGCOKTSA-N	1	0	354.454	1.363	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]ccc1C)C2	ZINC000996205992	903390922	/nfs/dbraw/zinc/39/09/22/903390922.db2.gz	JCZQCOQSEVTXCR-QZWWFDLISA-N	1	0	354.454	1.282	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1CN(C(=O)CC[N@@H+](C)CCC)C1	ZINC001079854902	903519015	/nfs/dbraw/zinc/51/90/15/903519015.db2.gz	GZCYKXJBTUOMRO-HKUYNNGSSA-N	1	0	365.518	1.759	20	30		FDEDRO
C=CCCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3c3ccncc3)nn2)C1	ZINC001107172703	903548757	/nfs/dbraw/zinc/54/87/57/903548757.db2.gz	HWYGLOAJLOMVPP-RBUKOAKNSA-N	1	0	366.469	1.916	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2cccc(C#N)c2)C(C)(C)C1	ZINC000996309585	903669207	/nfs/dbraw/zinc/66/92/07/903669207.db2.gz	IVVJHACJLPUYES-SQNIBIBYSA-N	1	0	368.481	1.609	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(C#N)c[nH]2)CC1	ZINC000996385444	903824284	/nfs/dbraw/zinc/82/42/84/903824284.db2.gz	KRHDMRJUTFALAR-RYRKJORJSA-N	1	0	369.469	1.480	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnns2)C(C)(C)C1	ZINC000996404113	903863674	/nfs/dbraw/zinc/86/36/74/903863674.db2.gz	ALYGXUQCDACBGX-ZNMIVQPWSA-N	1	0	350.488	1.846	20	30		FDEDRO
N#CCOc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1	ZINC000996429995	903914118	/nfs/dbraw/zinc/91/41/18/903914118.db2.gz	YBWYLSPVCMCTKU-IAGOWNOFSA-N	1	0	358.398	1.335	20	30		FDEDRO
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Cc1ccc(=O)n(CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2C)n1	ZINC001080822247	906400484	/nfs/dbraw/zinc/40/04/84/906400484.db2.gz	ZRNVGUNGEATWDS-RDTXWAMCSA-N	1	0	365.437	1.060	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1C	ZINC001080851765	906449022	/nfs/dbraw/zinc/44/90/22/906449022.db2.gz	ZLNNIOMNZRXTCK-MBOZVWFJSA-N	1	0	367.493	1.563	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCN(c2cccc(CNC(=O)[C@@H]3CCO[C@H]3CC)n2)C1	ZINC001127838634	906571871	/nfs/dbraw/zinc/57/18/71/906571871.db2.gz	BJBSOTYLDFFSSB-QRVBRYPASA-N	1	0	370.497	1.705	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)CC[N@@H+](C)CCC	ZINC001082301445	906673912	/nfs/dbraw/zinc/67/39/12/906673912.db2.gz	RHZSBJXLWOCZQG-KSZLIROESA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc(Cn3cccn3)on2)[C@H](OC)C1	ZINC001082312771	906738767	/nfs/dbraw/zinc/73/87/67/906738767.db2.gz	XJSLCBPYMRKYLI-IAGOWNOFSA-N	1	0	359.430	1.315	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CC(C)(C)CO3)C[C@H]2OC)nc1	ZINC001082333375	906825624	/nfs/dbraw/zinc/82/56/24/906825624.db2.gz	DXJFRACBTITMDS-KBAYOESNSA-N	1	0	357.454	1.307	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](OC)C3CCCC3)C[C@H]2OC)nc1	ZINC001082333605	906828953	/nfs/dbraw/zinc/82/89/53/906828953.db2.gz	QGARLRSIFSWVPZ-VAMGGRTRSA-N	1	0	371.481	1.697	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2CCC(C(=O)N(C)C)CC2)[C@H](OC)C1	ZINC001082322535	906869408	/nfs/dbraw/zinc/86/94/08/906869408.db2.gz	YKQHIFJQIYTVGE-BHUNQDJPSA-N	1	0	351.491	1.273	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC([NH2+]Cc2cccc(C#N)c2)CC1	ZINC000997001747	906876687	/nfs/dbraw/zinc/87/66/87/906876687.db2.gz	NCPZTSCJICEMKG-MSOLQXFVSA-N	1	0	354.454	1.363	20	30		FDEDRO
Cc1nccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]2C)n1	ZINC001080961885	906885642	/nfs/dbraw/zinc/88/56/42/906885642.db2.gz	DESYBKGIXDHXQF-AUUYWEPGSA-N	1	0	365.437	1.938	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(CC#Cc3ccccc3)C[C@H]2C)CC1	ZINC001080997603	906970725	/nfs/dbraw/zinc/97/07/25/906970725.db2.gz	GPDIWGAPAVIMMB-DENIHFKCSA-N	1	0	363.505	1.820	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3ncc(C)cn3)C[C@H]2C)CC1	ZINC001080997910	906973709	/nfs/dbraw/zinc/97/37/09/906973709.db2.gz	OOAGPZJIJSFBTF-SJLPKXTDSA-N	1	0	355.486	1.067	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2n[nH]c(=O)c3ccccc32)[C@H](OC)C1	ZINC001082338785	906981192	/nfs/dbraw/zinc/98/11/92/906981192.db2.gz	DXSRDPWCIOOUTL-HZPDHXFCSA-N	1	0	356.426	1.731	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCS(=O)(=O)C1)C2	ZINC001112539326	906985933	/nfs/dbraw/zinc/98/59/33/906985933.db2.gz	UYEFCXWXPORZSC-AOIWGVFYSA-N	1	0	368.543	1.996	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)Cn3ccnc3)C2)cc1C#N	ZINC001081036069	907003397	/nfs/dbraw/zinc/00/33/97/907003397.db2.gz	LKIIKHKVVMKPRJ-RHSMWYFYSA-N	1	0	353.426	1.400	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ncccc2NC(C)=O)C[C@H]1c1ccccc1	ZINC001081124648	907184991	/nfs/dbraw/zinc/18/49/91/907184991.db2.gz	PXMDWHBUAPYJSU-PKOBYXMFSA-N	1	0	362.433	1.871	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1c1ccccc1	ZINC001081125470	907223573	/nfs/dbraw/zinc/22/35/73/907223573.db2.gz	BSRVXYOSLFEIKX-YESZJQIVSA-N	1	0	361.873	1.849	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3nncn3CC2)C[C@H]1c1ccccc1	ZINC001081148502	907260591	/nfs/dbraw/zinc/26/05/91/907260591.db2.gz	MYWBHVGFDMWHBQ-GBESFXJTSA-N	1	0	363.465	1.448	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3cnc(C)n3C2)C[C@H]1c1ccccc1	ZINC001081170984	907293780	/nfs/dbraw/zinc/29/37/80/907293780.db2.gz	YBYZVPGWLMMWAW-SESVDKBCSA-N	1	0	362.477	1.971	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCn2c(C)csc2=O)C[C@H]1c1ccccc1	ZINC001081125761	907305922	/nfs/dbraw/zinc/30/59/22/907305922.db2.gz	PKEJPQVIIWXOCE-ZWKOTPCHSA-N	1	0	369.490	1.826	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)C[C@H]1c1ccccc1	ZINC001081208830	907314309	/nfs/dbraw/zinc/31/43/09/907314309.db2.gz	NDQBFEVVOQKGSH-JKSUJKDBSA-N	1	0	370.453	1.087	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCCS2(=O)=O)C[C@H]1c1ccccc1	ZINC001081195539	907373672	/nfs/dbraw/zinc/37/36/72/907373672.db2.gz	GFIJJLSPHAFPOG-YQVWRLOYSA-N	1	0	362.495	1.724	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=NOCC(=O)N2CCOC[C@H]2C2CC2)cc1	ZINC000765535270	907500336	/nfs/dbraw/zinc/50/03/36/907500336.db2.gz	OVIIJUBJLILCSJ-KRWDZBQOSA-N	1	0	360.458	1.023	20	30		FDEDRO
C=CC[NH2+]Cc1ccncc1O[C@H]1CCN(C(=O)[C@H]2OCCO[C@H]2C)C1	ZINC001127897803	907571879	/nfs/dbraw/zinc/57/18/79/907571879.db2.gz	AORFPGRCMJPHFX-ZVZYQTTQSA-N	1	0	361.442	1.141	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082415592	907647107	/nfs/dbraw/zinc/64/71/07/907647107.db2.gz	QNKDTLKYCADREY-FZKQIMNGSA-N	1	0	354.385	1.581	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082453033	907745263	/nfs/dbraw/zinc/74/52/63/907745263.db2.gz	FMXVNFYIEOHELG-IAQYHMDHSA-N	1	0	354.389	1.320	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCOC2)C[C@H]1C	ZINC001082442957	907786992	/nfs/dbraw/zinc/78/69/92/907786992.db2.gz	ICFRIWZERSIPGM-UWWQBHOKSA-N	1	0	357.454	1.930	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2nnn(Cc3noc(C)n3)c2C)CC1	ZINC000671569921	907791953	/nfs/dbraw/zinc/79/19/53/907791953.db2.gz	OBZLTIPIFKAGOE-UHFFFAOYSA-N	1	0	360.422	1.098	20	30		FDEDRO
COc1cccc([C@@H](O)C[NH2+][C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)c1	ZINC001082464753	907898710	/nfs/dbraw/zinc/89/87/10/907898710.db2.gz	FOBYMSVHHDLLLQ-ZNOIYHFQSA-N	1	0	368.437	1.679	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1[NH2+][C@H]1CCN(C(C)(C)C)C1=O	ZINC001082483774	907907818	/nfs/dbraw/zinc/90/78/18/907907818.db2.gz	ILPXIOUGUNVFJI-UHOFOFEASA-N	1	0	357.458	1.336	20	30		FDEDRO
COc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OC)c(C#N)c3)C2)on1	ZINC001082484671	907912257	/nfs/dbraw/zinc/91/22/57/907912257.db2.gz	ZPIAHQFQHNMIGP-IUODEOHRSA-N	1	0	370.409	1.814	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C)C(=O)N1CCCCCC1	ZINC001082480353	907949164	/nfs/dbraw/zinc/94/91/64/907949164.db2.gz	BXFHCKIAAANAEX-IIDMSEBBSA-N	1	0	371.485	1.728	20	30		FDEDRO
Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)cnn1	ZINC001082489518	907993356	/nfs/dbraw/zinc/99/33/56/907993356.db2.gz	KGTWEKHUHHLFEB-AUUYWEPGSA-N	1	0	365.437	1.938	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082490387	907997352	/nfs/dbraw/zinc/99/73/52/907997352.db2.gz	XKHBKUIBKWSFLZ-CZUORRHYSA-N	1	0	370.409	1.131	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]Cc1cccc(C(=O)N(C)C)c1	ZINC001082502690	908098154	/nfs/dbraw/zinc/09/81/54/908098154.db2.gz	CPAAYSOIPBUYKJ-DNVCBOLYSA-N	1	0	353.466	1.738	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(=O)[nH]n2)s1	ZINC001085126705	921383602	/nfs/dbraw/zinc/38/36/02/921383602.db2.gz	SGZLAOCFMPLGMN-ZIAGYGMSSA-N	1	0	357.439	1.946	20	30		FDEDRO
COc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)ncn1	ZINC001082514749	908175839	/nfs/dbraw/zinc/17/58/39/908175839.db2.gz	AFOYTQFVDBKNED-CXAGYDPISA-N	1	0	351.410	1.607	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1	ZINC001082518823	908206630	/nfs/dbraw/zinc/20/66/30/908206630.db2.gz	DYXHHZNAADVGHC-AXUOBQJMSA-N	1	0	371.481	1.703	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)nn2)C1	ZINC001082519102	908207073	/nfs/dbraw/zinc/20/70/73/908207073.db2.gz	SHFXHYWZNDEWNT-DZUCGIPZSA-N	1	0	360.458	1.403	20	30		FDEDRO
C=CCC1(C(=O)NCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1	ZINC001077799667	908208632	/nfs/dbraw/zinc/20/86/32/908208632.db2.gz	WPQSXLPYZVLGKL-GVDBMIGSSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCC(F)(F)C3)C[C@H]2O)nn1	ZINC001077801476	908306437	/nfs/dbraw/zinc/30/64/37/908306437.db2.gz	SZVBSGDYNCIGPO-GZBFAFLISA-N	1	0	369.416	1.065	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CC2(C)CC2)CC1	ZINC000997358064	908314159	/nfs/dbraw/zinc/31/41/59/908314159.db2.gz	VHKLAQOMPYASJM-SQNIBIBYSA-N	1	0	357.498	1.770	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2conc2C)CC1	ZINC000997356999	908324046	/nfs/dbraw/zinc/32/40/46/908324046.db2.gz	IHOFVJXDUNULGF-NJAFHUGGSA-N	1	0	370.453	1.190	20	30		FDEDRO
C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1	ZINC001107951196	908359482	/nfs/dbraw/zinc/35/94/82/908359482.db2.gz	JHWNUGKCJMMNEK-HBFSDRIKSA-N	1	0	359.470	1.942	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)CCc2ccn(C)n2)C[C@H]1C	ZINC001082539663	908361402	/nfs/dbraw/zinc/36/14/02/908361402.db2.gz	MWSRXBFOEDVGHW-BXUZGUMPSA-N	1	0	355.280	1.698	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc(CC)ccn3)C[C@H]2C)C1=O	ZINC001082528978	908385494	/nfs/dbraw/zinc/38/54/94/908385494.db2.gz	VQEZKTBTWAAYBZ-QGPMSJSTSA-N	1	0	356.470	1.481	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc3n[nH]nc3n2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082546061	908454178	/nfs/dbraw/zinc/45/41/78/908454178.db2.gz	WPHLQFMKWLONSF-SJKOYZFVSA-N	1	0	361.409	1.475	20	30		FDEDRO
Cc1nn(C)cc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001082564020	908659203	/nfs/dbraw/zinc/65/92/03/908659203.db2.gz	QMQLOHZDFUBNID-AUUYWEPGSA-N	1	0	351.454	1.779	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1	ZINC001082567911	908705105	/nfs/dbraw/zinc/70/51/05/908705105.db2.gz	KVJWXJFZLPYZOO-YSGRDPCXSA-N	1	0	368.456	1.731	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)Cc2nc(CC)c[nH]2)C[C@H]1C	ZINC001082569411	908718688	/nfs/dbraw/zinc/71/86/88/908718688.db2.gz	IFEXSEPRSNNPPE-ZWNOBZJWSA-N	1	0	355.280	1.860	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082581175	908785932	/nfs/dbraw/zinc/78/59/32/908785932.db2.gz	ZKSJODSEBKGDNV-CSMYWGQOSA-N	1	0	358.417	1.303	20	30		FDEDRO
CCN1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001082607815	908981297	/nfs/dbraw/zinc/98/12/97/908981297.db2.gz	PRDULNMAEMROGU-LZQZEXGQSA-N	1	0	356.470	1.215	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082614750	909049839	/nfs/dbraw/zinc/04/98/39/909049839.db2.gz	HGNYTVFVTPCOHT-RDTXWAMCSA-N	1	0	350.422	1.507	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1CN(Cc2cnoc2C)C[C@H]1OC)OCC	ZINC001212354615	909068159	/nfs/dbraw/zinc/06/81/59/909068159.db2.gz	DEKATKGTNTVXAY-IXDOHACOSA-N	1	0	351.447	1.670	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1CN(CCc2ccns2)C[C@H]1OC)OCC	ZINC001212354595	909068381	/nfs/dbraw/zinc/06/83/81/909068381.db2.gz	CLCMSVJILSZIJJ-IXDOHACOSA-N	1	0	367.515	1.872	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1OC)OCC	ZINC001212354666	909069814	/nfs/dbraw/zinc/06/98/14/909069814.db2.gz	GAFAOQPTDBWGNM-GUDVDZBRSA-N	1	0	368.518	1.990	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](NC(=O)CN(C)C(=O)c2cccs2)[C@H](OC)C1	ZINC001212361389	909128716	/nfs/dbraw/zinc/12/87/16/909128716.db2.gz	LPYZIPWHEXXVDU-ZIAGYGMSSA-N	1	0	351.472	1.212	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082626797	909150225	/nfs/dbraw/zinc/15/02/25/909150225.db2.gz	LNFQYDQOJLMRFY-RHSMWYFYSA-N	1	0	368.437	1.034	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1O	ZINC001077811834	909172088	/nfs/dbraw/zinc/17/20/88/909172088.db2.gz	MMIXYDCHKHDTAO-MLHJIOFPSA-N	1	0	350.503	1.955	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1O	ZINC001077811865	909174417	/nfs/dbraw/zinc/17/44/17/909174417.db2.gz	OFNJBXBFNFTHOK-JJXSEGSLSA-N	1	0	358.429	1.564	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C#N)C[C@@H]2C1	ZINC001212365449	909203223	/nfs/dbraw/zinc/20/32/23/909203223.db2.gz	VGWBIMPIMINKOR-OLZOCXBDSA-N	1	0	350.400	1.039	20	30		FDEDRO
Cc1cc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)n(C)n1	ZINC001082641417	909272159	/nfs/dbraw/zinc/27/21/59/909272159.db2.gz	NGADBIZHMZJTRZ-BFUOFWGJSA-N	1	0	369.444	1.919	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](CC3CCCCCC3)C[C@H]2O)nn1	ZINC001077812670	909281746	/nfs/dbraw/zinc/28/17/46/909281746.db2.gz	MAUFJZJEQLPHIK-SJLPKXTDSA-N	1	0	361.490	1.600	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cnc3nccn3c2)C[C@H]1C	ZINC001082644408	909293068	/nfs/dbraw/zinc/29/30/68/909293068.db2.gz	JKQNGSCZGRXRQY-ZWNOBZJWSA-N	1	0	364.247	1.688	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082652242	909362202	/nfs/dbraw/zinc/36/22/02/909362202.db2.gz	NHMJWHWJTMWHGI-XVCYEZIBSA-N	1	0	351.450	1.918	20	30		FDEDRO
C#CCC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@@H]1CCCO[C@H]1C=C)CC2	ZINC001127990934	909392578	/nfs/dbraw/zinc/39/25/78/909392578.db2.gz	LUJOVICQHTVJPU-BBWFWOEESA-N	1	0	371.485	1.193	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc(CC)nnc3C)C[C@H]2C)C1=O	ZINC001082663983	909404073	/nfs/dbraw/zinc/40/40/73/909404073.db2.gz	QDBYQWHKICFHJI-JEBQAFNWSA-N	1	0	371.485	1.184	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082688888	909578297	/nfs/dbraw/zinc/57/82/97/909578297.db2.gz	RCTZJNCEHRMKLM-JLZZUVOBSA-N	1	0	358.417	1.255	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2OC)C[C@H]1C	ZINC001082681184	909593013	/nfs/dbraw/zinc/59/30/13/909593013.db2.gz	ZZYJQQIWNIXGDU-BXKDBHETSA-N	1	0	357.252	1.387	20	30		FDEDRO
C[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC[NH+](CC#Cc2ccc(F)cc2)CC1	ZINC000997754453	909615976	/nfs/dbraw/zinc/61/59/76/909615976.db2.gz	NMFVCEXBWVASBJ-KYNGSXCRSA-N	1	0	371.456	1.515	20	30		FDEDRO
C[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC[NH+](Cc2ccc(C#N)s2)CC1	ZINC000997754349	909616350	/nfs/dbraw/zinc/61/63/50/909616350.db2.gz	MFCCEBDVNIEQCX-XZJROXQQSA-N	1	0	360.483	1.458	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC(=O)N3C)C[C@H]2C)cc1C#N	ZINC001082700031	909674600	/nfs/dbraw/zinc/67/46/00/909674600.db2.gz	UKDZIOUYBDVXCL-KBRIMQKVSA-N	1	0	370.453	1.124	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ncnn2CC)CC1	ZINC000997782373	909689201	/nfs/dbraw/zinc/68/92/01/909689201.db2.gz	SRHYJBCGLIHVLJ-SJORKVTESA-N	1	0	361.490	1.607	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3nn[nH]c32)C[C@H]1C	ZINC001082710046	909759093	/nfs/dbraw/zinc/75/90/93/909759093.db2.gz	CTCORWALKJUDLO-SUZMYJTESA-N	1	0	368.279	1.570	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cccc(F)c3F)C[C@H]2C)C1=O	ZINC001082711845	909775639	/nfs/dbraw/zinc/77/56/39/909775639.db2.gz	MRAZQHMQFVSAAD-DAXOMENPSA-N	1	0	363.408	1.802	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC2)C1=O	ZINC000997842177	909808440	/nfs/dbraw/zinc/80/84/40/909808440.db2.gz	WVRRSGSMLCZFIY-BRWVUGGUSA-N	1	0	371.485	1.128	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)CC1	ZINC001082722996	909833576	/nfs/dbraw/zinc/83/35/76/909833576.db2.gz	SBXHSQJTZGBLIX-BFYDXBDKSA-N	1	0	354.516	1.604	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@@H](O)c3ccc(F)cc3)C2)c1	ZINC001082730004	909863026	/nfs/dbraw/zinc/86/30/26/909863026.db2.gz	VDVYPKIHEYNLPD-JSNMRZPZSA-N	1	0	367.424	1.986	20	30		FDEDRO
C=CCCC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@]13C[C@H]1COC3)CC2	ZINC001128004444	909864051	/nfs/dbraw/zinc/86/40/51/909864051.db2.gz	CSKMMUDMNLZLHS-DOXZYTNZSA-N	1	0	359.474	1.192	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cncc(OC)n3)C2)c1	ZINC001082730266	909864581	/nfs/dbraw/zinc/86/45/81/909864581.db2.gz	JSULLEZRABROFR-CXAGYDPISA-N	1	0	351.410	1.112	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082746033	909974734	/nfs/dbraw/zinc/97/47/34/909974734.db2.gz	FLDWCWZQNXGPCX-PIGZYNQJSA-N	1	0	369.400	1.375	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@@H](O)c3ccccc3)C2)nn1	ZINC001082791341	910193291	/nfs/dbraw/zinc/19/32/91/910193291.db2.gz	MOAVEAQNMPCHOV-QGPMSJSTSA-N	1	0	355.442	1.248	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cncc(OC)n2)C1	ZINC001082799441	910217412	/nfs/dbraw/zinc/21/74/12/910217412.db2.gz	QGYBLRAPLQYVLQ-VUNQQRPYSA-N	1	0	360.458	1.403	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2ncccn2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082816770	910293063	/nfs/dbraw/zinc/29/30/63/910293063.db2.gz	XVGZRFLPFBNOFO-CZUORRHYSA-N	1	0	355.467	1.979	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082826495	910338494	/nfs/dbraw/zinc/33/84/94/910338494.db2.gz	VFZSWGMHCHUEDE-SJKOYZFVSA-N	1	0	351.410	1.236	20	30		FDEDRO
CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)nn1	ZINC001082828509	910346517	/nfs/dbraw/zinc/34/65/17/910346517.db2.gz	NXNBLJDGLRFDEZ-RHSMWYFYSA-N	1	0	352.442	1.810	20	30		FDEDRO
CC#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC000998115912	910388934	/nfs/dbraw/zinc/38/89/34/910388934.db2.gz	LQLIKCCWSCWMBH-FGTMMUONSA-N	1	0	363.502	1.349	20	30		FDEDRO
CCC(=O)N1CC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)C1	ZINC001082846073	910420032	/nfs/dbraw/zinc/42/00/32/910420032.db2.gz	AOXAVPZTICMUOT-AYOQOUSVSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2nnc(C)[nH]2)CC1	ZINC000998138019	910444831	/nfs/dbraw/zinc/44/48/31/910444831.db2.gz	DSHCTWMSEWINHO-WMZOPIPTSA-N	1	0	361.490	1.813	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)C3(F)CCCCC3)C[C@H]2C)C1=O	ZINC001082840047	910445914	/nfs/dbraw/zinc/44/59/14/910445914.db2.gz	QVOGCUXMRQCWNS-OWCLPIDISA-N	1	0	351.466	1.882	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3n[nH]cc3C2)C[C@H]1C	ZINC001082858172	910500528	/nfs/dbraw/zinc/50/05/28/910500528.db2.gz	TVFQTJXIZGFXMR-IXPVHAAZSA-N	1	0	367.291	1.860	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccnc(OC)c3)C2)nc1	ZINC001082869043	910510023	/nfs/dbraw/zinc/51/00/23/910510023.db2.gz	LSAZVJGNKOBWTE-RDTXWAMCSA-N	1	0	350.422	1.717	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@H]2CCOC2)C1	ZINC001082869126	910511251	/nfs/dbraw/zinc/51/12/51/910511251.db2.gz	REIVPVKEHLEBMZ-SOLBZPMBSA-N	1	0	357.454	1.570	20	30		FDEDRO
CC(=O)N1CC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1	ZINC001082887720	910686636	/nfs/dbraw/zinc/68/66/36/910686636.db2.gz	HZMPNBPFNRFVOO-MDASCCDHSA-N	1	0	354.454	1.363	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CNC(=S)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000727290193	910746397	/nfs/dbraw/zinc/74/63/97/910746397.db2.gz	RFXHPWJIAXPYJF-KRWDZBQOSA-N	1	0	372.542	1.870	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)COc3ccc(C)cc3)C[C@H]2C)C1=O	ZINC001082902990	910788828	/nfs/dbraw/zinc/78/88/28/910788828.db2.gz	DAJBHZGHVFLKTM-BHIYHBOVSA-N	1	0	371.481	1.597	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c(C)noc2C)C1=O	ZINC001085131074	921613446	/nfs/dbraw/zinc/61/34/46/921613446.db2.gz	WNFRJIKUIRAIEJ-BZUAXINKSA-N	1	0	360.458	1.709	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C#N)ccc1OCCOC	ZINC000273072101	911024195	/nfs/dbraw/zinc/02/41/95/911024195.db2.gz	HIRNJINURGNKCK-OAHLLOKOSA-N	1	0	374.441	1.122	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)CCc3cscn3)C[C@H]2C)C1=O	ZINC001082955646	911104631	/nfs/dbraw/zinc/10/46/31/911104631.db2.gz	YDGAAINDWOQANW-VNQPRFMTSA-N	1	0	362.499	1.299	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)ccn2)C[C@H]1C	ZINC001082966680	911210566	/nfs/dbraw/zinc/21/05/66/911210566.db2.gz	YEUOGCMBZCAEEO-NOZJJQNGSA-N	1	0	367.247	1.139	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CCO[C@@H]3C[N@H+](CC4CC5(CCC5)C4)C[C@@H]32)c1	ZINC001083040718	911763210	/nfs/dbraw/zinc/76/32/10/911763210.db2.gz	ZSAPALFQTABCQT-ZWKOTPCHSA-N	1	0	354.454	1.992	20	30		FDEDRO
C[C@H](C#N)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2	ZINC000998891319	911810682	/nfs/dbraw/zinc/81/06/82/911810682.db2.gz	LNUNDGMFKXTHLM-IRWJRLHMSA-N	1	0	364.409	1.289	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@H]2CC[N@@H+](C)C2)nc1	ZINC000998947945	911893995	/nfs/dbraw/zinc/89/39/95/911893995.db2.gz	IGHFPFDQZATHOH-FPAYPSAMSA-N	1	0	366.465	1.266	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@H+]2CC[C@H](C)C2)nc1	ZINC000998952003	911903064	/nfs/dbraw/zinc/90/30/64/911903064.db2.gz	JOJINKMMHOTBOK-FXECBMLZSA-N	1	0	366.465	1.266	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2COCCO2)ccc1F	ZINC001085137182	921704724	/nfs/dbraw/zinc/70/47/24/921704724.db2.gz	ZUSUPUYNIVVOSO-KZNAEPCWSA-N	1	0	361.417	1.630	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCCN(C(=O)C4CC4)C3)[C@H]2C1	ZINC001083092165	911976864	/nfs/dbraw/zinc/97/68/64/911976864.db2.gz	WSBVRKYZADPTQP-OKZBNKHCSA-N	1	0	361.486	1.123	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3c4c(nn3C)CCCC4)[C@H]2C1	ZINC001083095229	911987510	/nfs/dbraw/zinc/98/75/10/911987510.db2.gz	VHVGNJQJMGPCBH-ZWKOTPCHSA-N	1	0	358.486	1.790	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)CCc3c(C)nc(=O)[nH]c3C)[C@H]2C1	ZINC001083105178	912039501	/nfs/dbraw/zinc/03/95/01/912039501.db2.gz	NBEDBSLMAYLCSA-DLBZAZTESA-N	1	0	360.458	1.219	20	30		FDEDRO
C[N@H+](CC(=O)N1CCO[C@@H]2CN(Cc3ccccc3C#N)C[C@@H]21)C1CCC1	ZINC001083106192	912045911	/nfs/dbraw/zinc/04/59/11/912045911.db2.gz	PNNGFTRFZVZJCI-VQTJNVASSA-N	1	0	368.481	1.454	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3c(C)nn(C)c3Cl)[C@H]2C1	ZINC001083131290	912130914	/nfs/dbraw/zinc/13/09/14/912130914.db2.gz	KNCJSSWIBYPOSW-LSDHHAIUSA-N	1	0	352.866	1.412	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1	ZINC000999180319	912184009	/nfs/dbraw/zinc/18/40/09/912184009.db2.gz	GRJARRUYYHRDLR-QRVBRYPASA-N	1	0	371.481	1.847	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccnc(F)c2)C1=O	ZINC001085148246	921793513	/nfs/dbraw/zinc/79/35/13/921793513.db2.gz	MBYYDUICVPLGOT-OAGGEKHMSA-N	1	0	360.433	1.638	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C2CCN(C(=O)c3cccnc3)CC2)CC1	ZINC000729977510	915900594	/nfs/dbraw/zinc/90/05/94/915900594.db2.gz	SBQQJXDHHCSFCS-UHFFFAOYSA-N	1	0	356.470	1.700	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000730106081	916095293	/nfs/dbraw/zinc/09/52/93/916095293.db2.gz	WKELXLOCPAHRCQ-FQEVSTJZSA-N	1	0	354.498	1.018	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(C[C@H]4CCOC4)nn3)[C@@H]2C1	ZINC001084746806	916775800	/nfs/dbraw/zinc/77/58/00/916775800.db2.gz	NXBDWTDYOSGVCO-JFIYKMOQSA-N	1	0	359.474	1.427	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](CCCN4CCCC4=O)C[C@H]32)nc1	ZINC001084784071	917090456	/nfs/dbraw/zinc/09/04/56/917090456.db2.gz	YPIKHAMILTVUBT-IEBWSBKVSA-N	1	0	366.465	1.222	20	30		FDEDRO
CC(=O)N1CC[C@@H](C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)C1	ZINC001084800649	917219415	/nfs/dbraw/zinc/21/94/15/917219415.db2.gz	QPYZLMIHYPSKNR-VAMGGRTRSA-N	1	0	366.465	1.459	20	30		FDEDRO
CC(=O)N1CC[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)C1	ZINC001084800648	917220272	/nfs/dbraw/zinc/22/02/72/917220272.db2.gz	QPYZLMIHYPSKNR-HSALFYBXSA-N	1	0	366.465	1.459	20	30		FDEDRO
C=C[C@H](C(=O)N1C[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]21)c1ccccc1	ZINC001084846868	917640300	/nfs/dbraw/zinc/64/03/00/917640300.db2.gz	AWLRALLYMKQMQA-CEXWTWQISA-N	1	0	368.481	1.514	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4ncc(CC)o4)C[C@H]32)CC1	ZINC001084851111	917658554	/nfs/dbraw/zinc/65/85/54/917658554.db2.gz	NMBQKUJDVMHFHI-IEBWSBKVSA-N	1	0	370.497	1.615	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4nccc(C)n4)C[C@H]32)CC1	ZINC001084851216	917660711	/nfs/dbraw/zinc/66/07/11/917660711.db2.gz	SFLWGZRRFFNRQV-RTBURBONSA-N	1	0	367.497	1.163	20	30		FDEDRO
CC(=O)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001084857997	917747705	/nfs/dbraw/zinc/74/77/05/917747705.db2.gz	FQMHJISZRKKGKF-VAMGGRTRSA-N	1	0	366.465	1.602	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H]2CC[N@H+](CCc3nnn(C(C)(C)C)n3)[C@H]2C1	ZINC001084906668	918171707	/nfs/dbraw/zinc/17/17/07/918171707.db2.gz	CCVRTNOBNZSUBZ-KFWWJZLASA-N	1	0	359.478	1.053	20	30		FDEDRO
CN(C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]21)C1CC1	ZINC001084924078	918339540	/nfs/dbraw/zinc/33/95/40/918339540.db2.gz	FRESKQXGEKJTII-DYVFJYSZSA-N	1	0	355.442	1.044	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4COC(=O)N4)C[C@@H]32)cc1	ZINC001084932442	918485345	/nfs/dbraw/zinc/48/53/45/918485345.db2.gz	XPSVUNHBNALLDS-ZACQAIPSSA-N	1	0	354.410	1.089	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)CO[C@H]4CCOC4)C[C@@H]32)c1	ZINC001084939042	918597612	/nfs/dbraw/zinc/59/76/12/918597612.db2.gz	PSIFWKLSNHNULV-AABGKKOBSA-N	1	0	369.465	1.787	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3C(=O)C(C)(C)C)C[C@@H]21	ZINC001084947201	918646256	/nfs/dbraw/zinc/64/62/56/918646256.db2.gz	FYVXOABMCNMJOE-KURKYZTESA-N	1	0	359.514	1.970	20	30		FDEDRO
CCN(CCO)c1ccc(C=NNC(=S)NCCC[NH+](C)C)c(C)c1	ZINC000731928842	918848555	/nfs/dbraw/zinc/84/85/55/918848555.db2.gz	PJEQGVLYUCBCEP-UHFFFAOYSA-N	1	0	365.547	1.563	20	30		FDEDRO
CC(C)(C(N)=O)C(=O)N1CC[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@H]2C1	ZINC001084964032	918901515	/nfs/dbraw/zinc/90/15/15/918901515.db2.gz	SEAVJLBGBYGYGV-PBHICJAKSA-N	1	0	354.454	1.493	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncccc3C)[C@H]2C1	ZINC001084961131	918907139	/nfs/dbraw/zinc/90/71/39/918907139.db2.gz	MVBPIMSUICLHJD-GIVPXCGWSA-N	1	0	366.509	1.910	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCO[C@H]3c3cnn(C)c3)C[C@@H]21	ZINC001084961240	918908135	/nfs/dbraw/zinc/90/81/35/918908135.db2.gz	UPRMOEGOZHLFTI-YSHGAJCASA-N	1	0	358.486	1.997	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CCCNC4=O)C[C@@H]32)c1	ZINC001084964635	918924689	/nfs/dbraw/zinc/92/46/89/918924689.db2.gz	JOKHNUNIONVRHR-QRVBRYPASA-N	1	0	366.465	1.507	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4cnnn4)cn3)C[C@@H]21	ZINC001084997684	919440017	/nfs/dbraw/zinc/44/00/17/919440017.db2.gz	RDTRTTBAAQAANY-PBHICJAKSA-N	1	0	353.430	1.170	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cnn4c3nc(C)cc4C)C[C@@H]21	ZINC001085002997	919515301	/nfs/dbraw/zinc/51/53/01/919515301.db2.gz	DSAMRBRCZDPBRT-AEFFLSMTSA-N	1	0	351.454	1.906	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3COCCN3C3CCCC3)C[C@@H]21	ZINC001085014981	919666453	/nfs/dbraw/zinc/66/64/53/919666453.db2.gz	PELBNRJRISCRDH-YZGWKJHDSA-N	1	0	359.514	1.576	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C3CCN(CC(F)F)CC3)C[C@@H]21	ZINC001085017751	919697093	/nfs/dbraw/zinc/69/70/93/919697093.db2.gz	WREHIKDSUMKUFW-WBVHZDCISA-N	1	0	353.457	1.910	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C[C@@H]21	ZINC001085021762	919764060	/nfs/dbraw/zinc/76/40/60/919764060.db2.gz	ZFLAIKUFRORPBE-PBHICJAKSA-N	1	0	352.438	1.247	20	30		FDEDRO
C[C@@]1(C(=O)N2CC[C@H]3CC[N@H+](CC#Cc4ccccc4)[C@H]3C2)CCNC1=O	ZINC001085030351	919872434	/nfs/dbraw/zinc/87/24/34/919872434.db2.gz	BSPHCSUULKRIJB-XQBPLPMBSA-N	1	0	365.477	1.487	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3nnn(C)c3C(F)(F)F)C[C@@H]21	ZINC001085052010	920101055	/nfs/dbraw/zinc/10/10/55/920101055.db2.gz	ZDYAJGOBYSKPBX-NEPJUHHUSA-N	1	0	355.364	1.394	20	30		FDEDRO
C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000732810542	920157127	/nfs/dbraw/zinc/15/71/27/920157127.db2.gz	CENQFXSBCWXEFW-AWEZNQCLSA-N	1	0	368.359	1.982	20	30		FDEDRO
C[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000732811260	920159069	/nfs/dbraw/zinc/15/90/69/920159069.db2.gz	QBLFUKNKROEBIC-AWEZNQCLSA-N	1	0	368.359	1.982	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc4c([nH]c3=O)CCOC4)C[C@@H]21	ZINC001085072068	920486237	/nfs/dbraw/zinc/48/62/37/920486237.db2.gz	FTBVSCIIBKAHDV-KDOFPFPSSA-N	1	0	355.438	1.420	20	30		FDEDRO
Cn1cncc1CC(=O)N1CC[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@H]2C1	ZINC001085074909	920535697	/nfs/dbraw/zinc/53/56/97/920535697.db2.gz	IAUQBDKOOWASTG-QUCCMNQESA-N	1	0	363.465	1.957	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cn(C)nc4C)[C@H]3C2)nc1	ZINC001085076923	920570332	/nfs/dbraw/zinc/57/03/32/920570332.db2.gz	QDVKAKLKCXEPTC-XLIONFOSSA-N	1	0	363.465	1.841	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C(=O)NC)nc3)C[C@@H]21	ZINC001085077604	920577516	/nfs/dbraw/zinc/57/75/16/920577516.db2.gz	PPKINIGTGRBEKN-QAPCUYQASA-N	1	0	356.470	1.944	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3n[nH]c(=O)c4ccccc43)C[C@@H]21	ZINC001085080738	920614908	/nfs/dbraw/zinc/61/49/08/920614908.db2.gz	ZNNZJKIUYZOCFG-PBHICJAKSA-N	1	0	350.422	1.895	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3CC(F)(F)F)C[C@@H]21	ZINC001085101356	920926314	/nfs/dbraw/zinc/92/63/14/920926314.db2.gz	GNPHRYMRCKZETF-OAGGEKHMSA-N	1	0	357.420	1.959	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccnc(-n4cncn4)c3)C[C@@H]21	ZINC001085106165	920981427	/nfs/dbraw/zinc/98/14/27/920981427.db2.gz	XLGHYVGBAFJVNQ-WBVHZDCISA-N	1	0	350.426	1.222	20	30		FDEDRO
COc1cc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)cc(Cl)c1OC	ZINC000733334171	920988655	/nfs/dbraw/zinc/98/86/55/920988655.db2.gz	DBOLTHXRPBKDKU-ICFOKQHNSA-N	1	0	365.817	1.973	20	30		FDEDRO
CCc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(C#N)c2)n1C	ZINC001085174634	921994366	/nfs/dbraw/zinc/99/43/66/921994366.db2.gz	LPFQLFRANUZXSN-HUUCEWRRSA-N	1	0	355.446	1.408	20	30		FDEDRO
C[C@H]1CCCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(C#N)c2)C1	ZINC001085174889	921995155	/nfs/dbraw/zinc/99/51/55/921995155.db2.gz	YUIFUZSNRDXRPQ-BMGDILEWSA-N	1	0	371.485	1.775	20	30		FDEDRO
CC(=O)N1CC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001085182649	922045088	/nfs/dbraw/zinc/04/50/88/922045088.db2.gz	LFPULVVEZSVKCA-RTBURBONSA-N	1	0	354.454	1.554	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2COC(=O)N2)c1	ZINC001085187569	922075390	/nfs/dbraw/zinc/07/53/90/922075390.db2.gz	MXWATVPZBBJWSR-BZUAXINKSA-N	1	0	360.389	1.323	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2COC(=O)N2)cc1F	ZINC001085186603	922113696	/nfs/dbraw/zinc/11/36/96/922113696.db2.gz	AHCOMEGDKHDQJN-OAGGEKHMSA-N	1	0	360.389	1.323	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1nnc(C)o1	ZINC001085189549	922147422	/nfs/dbraw/zinc/14/74/22/922147422.db2.gz	HJJUKFGIYQVKAO-VXGBXAGGSA-N	1	0	357.252	1.846	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](NC(=O)C[NH+](CC)CC)CC1	ZINC001066193485	922605743	/nfs/dbraw/zinc/60/57/43/922605743.db2.gz	FOEHFKFUJMELFO-LNLFQRSKSA-N	1	0	365.518	1.807	20	30		FDEDRO
Cn1cnc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)cc1=O	ZINC001085230410	922988963	/nfs/dbraw/zinc/98/89/63/922988963.db2.gz	VCRZJRCGJNEHHU-IAGOWNOFSA-N	1	0	365.437	1.483	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCCC(=O)N2)s1	ZINC001085236626	923025248	/nfs/dbraw/zinc/02/52/48/923025248.db2.gz	ISUTWRATDPPTRK-BZUAXINKSA-N	1	0	360.483	1.805	20	30		FDEDRO
CCN1CCOC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001085251149	923199524	/nfs/dbraw/zinc/19/95/24/923199524.db2.gz	DDFTXEVKWALRTF-AQNXPRMDSA-N	1	0	370.497	1.796	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@@H+](CCO)CCOCC)CC1	ZINC001098368310	923294860	/nfs/dbraw/zinc/29/48/60/923294860.db2.gz	MHZAZICFFOPWQQ-MSOLQXFVSA-N	1	0	354.491	1.289	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cn(C)c(=O)cn1	ZINC001085279628	923463235	/nfs/dbraw/zinc/46/32/35/923463235.db2.gz	VEYHDFKFBRJTDE-VXGBXAGGSA-N	1	0	369.263	1.320	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCNC(=O)CC2)c1	ZINC001085325907	923916993	/nfs/dbraw/zinc/91/69/93/923916993.db2.gz	LZJPGKWCWGAQCG-QXAKKESOSA-N	1	0	368.481	1.610	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O	ZINC001085334797	923971011	/nfs/dbraw/zinc/97/10/11/923971011.db2.gz	JERCPNYMFJPKMP-YYIAUSFCSA-N	1	0	370.453	1.205	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cn(CC2CC2)nn1	ZINC001085338082	924019529	/nfs/dbraw/zinc/01/95/29/924019529.db2.gz	LZBQGJYIZHUFQH-MKXGPGLRSA-N	1	0	373.501	1.796	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](C)C2CN(C(=O)C[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC001006245597	924023483	/nfs/dbraw/zinc/02/34/83/924023483.db2.gz	WGBYBSAWLQYJIX-BPAFIMBUSA-N	1	0	371.525	1.731	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cn(C)nn2)cc1	ZINC001085356033	924156165	/nfs/dbraw/zinc/15/61/65/924156165.db2.gz	CSBKSIFNVHMUJA-RTBURBONSA-N	1	0	367.453	1.658	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccnn2C)nn1	ZINC001085358858	924172547	/nfs/dbraw/zinc/17/25/47/924172547.db2.gz	XAUBNJQQNVAGAO-HZPDHXFCSA-N	1	0	357.462	1.419	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@@H](O)c2ccccc2)nn1	ZINC001085357492	924186509	/nfs/dbraw/zinc/18/65/09/924186509.db2.gz	YYORZDBYAFCRIJ-ZHALLVOQSA-N	1	0	369.469	1.828	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCN(CC=C)C2=O)cn1	ZINC001085399024	924450749	/nfs/dbraw/zinc/45/07/49/924450749.db2.gz	MLSJSXRMQQKPGS-GUDVDZBRSA-N	1	0	366.465	1.480	20	30		FDEDRO
CC(=O)N1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)C1	ZINC001085407820	924516723	/nfs/dbraw/zinc/51/67/23/924516723.db2.gz	XVJVGELHIUFOSC-VAMGGRTRSA-N	1	0	368.481	1.944	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)CCNC(=O)C1N=CC=CC1=O)c1cccs1	ZINC000735836745	924591633	/nfs/dbraw/zinc/59/16/33/924591633.db2.gz	IAZGYKJUWBQSFC-WGKGOADCSA-N	1	0	362.455	1.384	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H](C)C(N)=O)cc1	ZINC001085434604	924700067	/nfs/dbraw/zinc/70/00/67/924700067.db2.gz	VFUDOPVWKGEFLZ-ZTFGCOKTSA-N	1	0	359.470	1.685	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccnn2-c2ccccc2)CC1	ZINC000179350417	925352131	/nfs/dbraw/zinc/35/21/31/925352131.db2.gz	LFUZVDKKQALTLQ-UHFFFAOYSA-N	1	0	367.453	1.968	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CCn2cnc3c(C)cccc3c2=O)CC1	ZINC000740735514	925419133	/nfs/dbraw/zinc/41/91/33/925419133.db2.gz	ISPFKRLAIFPBAE-UHFFFAOYSA-N	1	0	366.465	1.699	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CCCNC(=O)c2ccc(F)cc2)CC1	ZINC000740736460	925420018	/nfs/dbraw/zinc/42/00/18/925420018.db2.gz	VCVBCSHDKMVRBU-UHFFFAOYSA-N	1	0	359.445	1.940	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)CC1	ZINC000740735619	925420091	/nfs/dbraw/zinc/42/00/91/925420091.db2.gz	JLYOTFITCMWYLV-UHFFFAOYSA-N	1	0	364.449	1.509	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)Cn2c(C)nc3ccccc3c2=O)CC1	ZINC000740737215	925420703	/nfs/dbraw/zinc/42/07/03/925420703.db2.gz	FOYIQVNVBFOWES-UHFFFAOYSA-N	1	0	352.438	1.309	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)CC1	ZINC000740737402	925421152	/nfs/dbraw/zinc/42/11/52/925421152.db2.gz	CGMWBUISNOIELI-UHFFFAOYSA-N	1	0	365.437	1.189	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CCn2cnc3sccc3c2=O)CC1	ZINC000740737811	925422236	/nfs/dbraw/zinc/42/22/36/925422236.db2.gz	XXWVLDMJSCBQDH-UHFFFAOYSA-N	1	0	358.467	1.452	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)CC1	ZINC000740748524	925434380	/nfs/dbraw/zinc/43/43/80/925434380.db2.gz	NCPPYOCOOVCVOO-UHFFFAOYSA-N	1	0	373.453	1.038	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@]1(C)C[N@H+](CCC2CCOCC2)CCO1	ZINC001108226463	925533905	/nfs/dbraw/zinc/53/39/05/925533905.db2.gz	VSNMQTOFSSZPSS-HBFSDRIKSA-N	1	0	366.502	1.601	20	30		FDEDRO
CC[N@@H+]1CCC(=NNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1	ZINC000741460438	925776076	/nfs/dbraw/zinc/77/60/76/925776076.db2.gz	OSMXXQPYUVTASH-LBPRGKRZSA-N	1	0	354.432	1.732	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCc2cnn(CC)c2)C1	ZINC001086089813	925938008	/nfs/dbraw/zinc/93/80/08/925938008.db2.gz	ROVNIDRBQROZFT-HCXYKTFWSA-N	1	0	360.502	1.911	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@H]2CCc3ncnn32)C1	ZINC001086089916	925938569	/nfs/dbraw/zinc/93/85/69/925938569.db2.gz	XNJSXLQQAIXWBN-JJTUDDRGSA-N	1	0	359.474	1.231	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCCC2)C1	ZINC001086089075	925944393	/nfs/dbraw/zinc/94/43/93/925944393.db2.gz	GPQMWLGDNGTRGZ-XDNAFOTISA-N	1	0	363.502	1.465	20	30		FDEDRO
C#Cc1cncc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C3)c1	ZINC001006290212	926339820	/nfs/dbraw/zinc/33/98/20/926339820.db2.gz	WDSAGQHBLMCLJY-PIKADFDJSA-N	1	0	366.465	1.266	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCCC2)C1	ZINC001086223428	926353556	/nfs/dbraw/zinc/35/35/56/926353556.db2.gz	PQITWJPXEMRWQL-ZMMAXQRCSA-N	1	0	363.502	1.465	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccc3c(c2)C(=O)N(CC=C)C3=O)CC1	ZINC000743493172	926379112	/nfs/dbraw/zinc/37/91/12/926379112.db2.gz	IIYLIUQQDRDCAX-UHFFFAOYSA-N	1	0	365.433	1.686	20	30		FDEDRO
C[NH+](C)CCNC(=O)C1CCN(C(=O)c2ccccc2SCC#N)CC1	ZINC000744447362	926688094	/nfs/dbraw/zinc/68/80/94/926688094.db2.gz	CWBPFRXBNRXANF-UHFFFAOYSA-N	1	0	374.510	1.832	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@]1(C)C[N@H+](CCCOCC)CCO1	ZINC001108271636	927080644	/nfs/dbraw/zinc/08/06/44/927080644.db2.gz	ZHMQVQQPITYRMC-BJLQDIEVSA-N	1	0	368.518	1.991	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC001086433580	927227066	/nfs/dbraw/zinc/22/70/66/927227066.db2.gz	AFTMNYUHZFGJSI-ZAQOWBAASA-N	1	0	351.450	1.966	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cn(CC3CC3)nn2)C1	ZINC001086480822	927517031	/nfs/dbraw/zinc/51/70/31/927517031.db2.gz	AQUNDUCOLFVUPZ-AHCXZYCDSA-N	1	0	359.474	1.264	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2nnc(C(C)C)n2C)C1	ZINC001086481289	927519103	/nfs/dbraw/zinc/51/91/03/927519103.db2.gz	ZCDMXRVYFRJUEI-FPCVCCKLSA-N	1	0	361.490	1.514	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2nnc(C(C)C)[nH]2)C1	ZINC001086503948	927711563	/nfs/dbraw/zinc/71/15/63/927711563.db2.gz	VCVHJTAIBHRMDO-JKQORVJESA-N	1	0	361.490	1.894	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCn2nc(C)cc2C)C1	ZINC001086503838	927711582	/nfs/dbraw/zinc/71/15/82/927711582.db2.gz	QDMQVYZZPPIEMM-VJANTYMQSA-N	1	0	360.502	1.966	20	30		FDEDRO
CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)Nc3cnn(CC#N)c3)C2)CC1	ZINC000746383984	927932461	/nfs/dbraw/zinc/93/24/61/927932461.db2.gz	DTLGZEFMPCJPGB-INIZCTEOSA-N	1	0	372.473	1.316	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1	ZINC000746407143	927951926	/nfs/dbraw/zinc/95/19/26/927951926.db2.gz	VPXGJOOGNQLKJL-HOTGVXAUSA-N	1	0	372.473	1.458	20	30		FDEDRO
C=CCCC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CCCO[C@H]3C=C)CC2=O)C1	ZINC001108545543	928905409	/nfs/dbraw/zinc/90/54/09/928905409.db2.gz	YAXQVYMUAFELGG-JQHSSLGASA-N	1	0	361.486	1.335	20	30		FDEDRO
C=CCCC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3ccco3)CC2=O)C1	ZINC001108578002	928950277	/nfs/dbraw/zinc/95/02/77/928950277.db2.gz	SWJNRHIVHBWORV-USXIJHARSA-N	1	0	357.454	1.751	20	30		FDEDRO
C[NH+](C)CCCC1CCN(C(=O)CCNC(=O)C2N=CC=CC2=O)CC1	ZINC000767128482	929097720	/nfs/dbraw/zinc/09/77/20/929097720.db2.gz	JNAKQWTWCOUZLC-HNENSFHCSA-N	1	0	362.474	1.483	20	30		FDEDRO
C[C@@H](CNc1ccc(C#N)nn1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1	ZINC001108718407	929119405	/nfs/dbraw/zinc/11/94/05/929119405.db2.gz	YMDHBFMZLKAZEN-QGTPRVQTSA-N	1	0	364.453	1.610	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cccc(OCC)n1)C2	ZINC001109543960	929738550	/nfs/dbraw/zinc/73/85/50/929738550.db2.gz	RRAPEQTYUCIAPE-SQNIBIBYSA-N	1	0	359.470	1.947	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1nc(C)c3cccnc31)C2	ZINC001109544624	929741613	/nfs/dbraw/zinc/74/16/13/929741613.db2.gz	FBUALWOLIMWZKY-NJAFHUGGSA-N	1	0	369.469	1.664	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNS(=O)(=O)CC	ZINC001109601648	929895001	/nfs/dbraw/zinc/89/50/01/929895001.db2.gz	JMKCKYOWUMMEKJ-ILXRZTDVSA-N	1	0	357.520	1.250	20	30		FDEDRO
CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)N(C)C	ZINC001109624754	929948113	/nfs/dbraw/zinc/94/81/13/929948113.db2.gz	AQVJKWOCFILSNM-IKGGRYGDSA-N	1	0	369.531	1.183	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)c(C(N)=O)cn1)C2	ZINC001109738192	930278653	/nfs/dbraw/zinc/27/86/53/930278653.db2.gz	FKCLDOCUMKZVTE-KMFMINBZSA-N	1	0	358.442	1.027	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)C2	ZINC001109765440	930361271	/nfs/dbraw/zinc/36/12/71/930361271.db2.gz	WGJAZTSQRGNOFF-QPSCCSFWSA-N	1	0	350.463	1.276	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3ccnc3)nn1)C2	ZINC001109835448	930567678	/nfs/dbraw/zinc/56/76/78/930567678.db2.gz	IYBWIWFHIAOKDY-PVAVHDDUSA-N	1	0	352.442	1.964	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)nc3c1cnn3C)C2	ZINC001109884232	930667251	/nfs/dbraw/zinc/66/72/51/930667251.db2.gz	JHSJKAVAGYWWKE-JLSDUUJJSA-N	1	0	369.469	1.814	20	30		FDEDRO
C[NH+]1CCN(c2ccc(C=[NH+][N-]c3ccc(S(N)(=O)=O)cc3)cc2)CC1	ZINC000771554459	930737319	/nfs/dbraw/zinc/73/73/19/930737319.db2.gz	WEUATTXNZAZMPI-UHFFFAOYSA-N	1	0	373.482	1.532	20	30		FDEDRO
CCc1nc(C#N)cc(NC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C2CC2)n1	ZINC001110002073	931041186	/nfs/dbraw/zinc/04/11/86/931041186.db2.gz	UEDGGJAYCSJAJS-GVDBMIGSSA-N	1	0	370.501	1.948	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCCC3)C2)n1	ZINC001090433169	931110209	/nfs/dbraw/zinc/11/02/09/931110209.db2.gz	GMCGJYINBREFJD-QZTJIDSGSA-N	1	0	371.485	1.194	20	30		FDEDRO
C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCO)CCOCC1	ZINC001110047301	931247840	/nfs/dbraw/zinc/24/78/40/931247840.db2.gz	YWDFGRLUMRSYIK-IKGGRYGDSA-N	1	0	352.475	1.090	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(-n3ccnc3)nn1)C2	ZINC001112544965	931425336	/nfs/dbraw/zinc/42/53/36/931425336.db2.gz	GYDCIQHWCSDWPZ-KXBFYZLASA-N	1	0	352.442	1.680	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCn1cccc1)C2	ZINC001112551493	931467811	/nfs/dbraw/zinc/46/78/11/931467811.db2.gz	CXDCMUCQZVJHGV-LQWHRVPQSA-N	1	0	370.497	1.234	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccnc(C)c1)C2	ZINC001112548799	931473507	/nfs/dbraw/zinc/47/35/07/931473507.db2.gz	SEBAPICNGYLKBO-MDKPJZGXSA-N	1	0	368.481	1.360	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H](C)COC)C2	ZINC001112555111	931525342	/nfs/dbraw/zinc/52/53/42/931525342.db2.gz	ZPYWXSUQZQOVGV-BXWFABGCSA-N	1	0	351.491	1.180	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1c(C)cc(C)nc1=O)C2	ZINC001112552169	931528102	/nfs/dbraw/zinc/52/81/02/931528102.db2.gz	KIGZDYBNYVCTCC-PXNSSMCTSA-N	1	0	356.470	1.102	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CCCS(=O)(=O)C1)C2	ZINC001112559186	931583090	/nfs/dbraw/zinc/58/30/90/931583090.db2.gz	MUGSNGXMJCAMSU-RYRKJORJSA-N	1	0	352.500	1.053	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CCC(C(=O)N(C)C)CC1)C2	ZINC001112561689	931590043	/nfs/dbraw/zinc/59/00/43/931590043.db2.gz	MOMVBGYHPXMBJU-XVAHUTHZSA-N	1	0	359.514	1.733	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CS(=O)(=O)CCCCC)C2	ZINC001112562016	931592497	/nfs/dbraw/zinc/59/24/97/931592497.db2.gz	DJCJLDRRVVGHRM-WMZOPIPTSA-N	1	0	354.516	1.443	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1nnc[nH]1)C2	ZINC001112560773	931604393	/nfs/dbraw/zinc/60/43/93/931604393.db2.gz	OQLXWCVVNRPFBG-WFASDCNBSA-N	1	0	368.279	1.474	20	30		FDEDRO
CC[C@H](CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1)C(C)C	ZINC001112565769	931614536	/nfs/dbraw/zinc/61/45/36/931614536.db2.gz	RNXHEEHPXKZVAK-UWVAXJGDSA-N	1	0	362.518	1.917	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@H](C)C(N)=O)C2)CCOCC1	ZINC001112571348	931654375	/nfs/dbraw/zinc/65/43/75/931654375.db2.gz	QZQIDJVYTBIJGN-GUXCAODWSA-N	1	0	363.502	1.451	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC)C1	ZINC001112569825	931662945	/nfs/dbraw/zinc/66/29/45/931662945.db2.gz	QDTPTLILNKEESS-UGKGYDQZSA-N	1	0	367.493	1.565	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(-n3cnnn3)cc1)C2	ZINC001112574735	931667466	/nfs/dbraw/zinc/66/74/66/931667466.db2.gz	XWEZAXGGANKRPA-PXNSSMCTSA-N	1	0	364.453	1.518	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)c1cccc(C)c1)C2	ZINC001112573260	931673709	/nfs/dbraw/zinc/67/37/09/931673709.db2.gz	SMAOFJCBLIDVQW-UGKGYDQZSA-N	1	0	367.493	1.966	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn3ccccc3n1)C2	ZINC001112573713	931676559	/nfs/dbraw/zinc/67/65/59/931676559.db2.gz	SJFPONQZTZFWMR-UWJYYQICSA-N	1	0	366.465	1.816	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(=O)n(C)n1)C2	ZINC001112574122	931680661	/nfs/dbraw/zinc/68/06/61/931680661.db2.gz	OSVJVEUYOAKSAV-FTRWYGJKSA-N	1	0	358.486	1.967	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cncn1)C2	ZINC001112574865	931698774	/nfs/dbraw/zinc/69/87/74/931698774.db2.gz	DZGDAEKLUOTJLP-ZFWWWQNUSA-N	1	0	368.279	1.405	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)c1ccsc1)C2	ZINC001112582241	931748444	/nfs/dbraw/zinc/74/84/44/931748444.db2.gz	OEUNHVBANIAUHE-LPHOPBHVSA-N	1	0	359.495	1.720	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc(C(=O)NC)c1)C2	ZINC001112582093	931748452	/nfs/dbraw/zinc/74/84/52/931748452.db2.gz	HZCNKNVAZNSTED-RXVVDRJESA-N	1	0	353.466	1.901	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COc1ccc(C(N)=O)cc1)C2	ZINC001112582493	931749135	/nfs/dbraw/zinc/74/91/35/931749135.db2.gz	ZGGVQGNQIXNBNK-JXFKEZNVSA-N	1	0	355.438	1.016	20	30		FDEDRO
C[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC#Cc1ccccc1)C2)C(N)=O	ZINC001112583255	931753463	/nfs/dbraw/zinc/75/34/63/931753463.db2.gz	KVXLOXATWBGJQW-MDKPJZGXSA-N	1	0	353.466	1.520	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC2CC2)C1	ZINC001112589278	931802806	/nfs/dbraw/zinc/80/28/06/931802806.db2.gz	SGKGDFWYGXQKQA-SYNHAJSKSA-N	1	0	363.502	1.322	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nc(CC)no2)C1	ZINC001112589839	931807654	/nfs/dbraw/zinc/80/76/54/931807654.db2.gz	RZOZVZYEMGUHLB-VCBZYWHSSA-N	1	0	362.474	1.941	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cnns2)C1	ZINC001112589743	931807697	/nfs/dbraw/zinc/80/76/97/931807697.db2.gz	OJWCPVHWWDCKPK-ZQIUZPCESA-N	1	0	350.488	1.848	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC(C)C)C1	ZINC001112589727	931807733	/nfs/dbraw/zinc/80/77/33/931807733.db2.gz	OBSPSBGWIFLNAE-UWVAXJGDSA-N	1	0	365.518	1.568	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)CCCC(N)=O)C3)cc1	ZINC001112591704	931822910	/nfs/dbraw/zinc/82/29/10/931822910.db2.gz	ACCJMQSDEPIBBR-RXVVDRJESA-N	1	0	368.481	1.932	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](CC(C)C)C(N)=O)C2	ZINC001112593223	931849594	/nfs/dbraw/zinc/84/95/94/931849594.db2.gz	CHVJURDKYMGKRI-ZWOKBUDYSA-N	1	0	365.518	1.555	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H](C)Oc2ccccn2)[C@@H](n2ccnn2)C1	ZINC001129393419	932038282	/nfs/dbraw/zinc/03/82/82/932038282.db2.gz	KOIFWUISZHGWKR-BBWFWOEESA-N	1	0	370.457	1.448	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nccnc1C(N)=O)C2	ZINC001110082556	932168432	/nfs/dbraw/zinc/16/84/32/932168432.db2.gz	SZECWZYLDKIEGA-ILXRZTDVSA-N	1	0	359.474	1.881	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1	ZINC000787259348	932233055	/nfs/dbraw/zinc/23/30/55/932233055.db2.gz	CKZPMZJVJMBNMK-LSDHHAIUSA-N	1	0	355.442	1.683	20	30		FDEDRO
C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NCc2cc(C#N)ccc2F)C1	ZINC000787706246	932377270	/nfs/dbraw/zinc/37/72/70/932377270.db2.gz	NJHGJOIAVICBFY-GASCZTMLSA-N	1	0	374.460	1.798	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1ccc(C[NH+](CC)CC)cc1)[C@H]1CCCO1	ZINC000787895518	932478945	/nfs/dbraw/zinc/47/89/45/932478945.db2.gz	KNTWGLOXYLBJAO-QZTJIDSGSA-N	1	0	357.454	1.764	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)n1	ZINC000789074476	932925603	/nfs/dbraw/zinc/92/56/03/932925603.db2.gz	JCWNSDXREKDPCA-INIZCTEOSA-N	1	0	363.506	1.651	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C)[C@@H]1CCCO1	ZINC000789744187	933175925	/nfs/dbraw/zinc/17/59/25/933175925.db2.gz	OJDHPLKKGCRIKU-XIRDDKMYSA-N	1	0	371.437	1.307	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)n1	ZINC000790104677	933367128	/nfs/dbraw/zinc/36/71/28/933367128.db2.gz	JGEWMCPJTMLCLQ-LJQANCHMSA-N	1	0	358.486	1.898	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CCN(C)C2=O)C1	ZINC001086593826	933847129	/nfs/dbraw/zinc/84/71/29/933847129.db2.gz	PYVKJSYMPZSFCM-GBESFXJTSA-N	1	0	353.466	1.462	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCc3nc(C)nn3C2)C1	ZINC001086601509	934125684	/nfs/dbraw/zinc/12/56/84/934125684.db2.gz	ZUEWGAMGQXOVOA-CEXWTWQISA-N	1	0	365.481	1.919	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN([C@H](C)C(N)=O)C[C@H]2c2ccccc2)cc1	ZINC001086602489	934153996	/nfs/dbraw/zinc/15/39/96/934153996.db2.gz	BVLQMYMROZZOIP-UIAACRFSSA-N	1	0	361.445	1.740	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC2(CNc3ccncc3C#N)CCCCC2)CC[N@@H+]1C	ZINC001114186884	938325614	/nfs/dbraw/zinc/32/56/14/938325614.db2.gz	XLMMRMXCRFMPRH-NVXWUHKLSA-N	1	0	355.486	1.946	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2nc(C)ccc2=O)C1	ZINC001086620485	938359838	/nfs/dbraw/zinc/35/98/38/938359838.db2.gz	UJCWHQDDQDSSMB-RBUKOAKNSA-N	1	0	366.465	1.712	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)CCc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129403575	938416561	/nfs/dbraw/zinc/41/65/61/938416561.db2.gz	DHJMEKROVHBDJR-MOPGFXCFSA-N	1	0	369.469	1.455	20	30		FDEDRO
C=C[C@H](C(=O)N[C@@H]1C[N@@H+](CCCOC)C[C@@H]1n1ccnn1)c1ccccc1	ZINC001129449436	938419822	/nfs/dbraw/zinc/41/98/22/938419822.db2.gz	MWJQPKCIVHSOEG-OTWHNJEPSA-N	1	0	369.469	1.626	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)C2(CCOC)CCCC2)[C@@H](n2ccnn2)C1	ZINC001129470504	938430306	/nfs/dbraw/zinc/43/03/06/938430306.db2.gz	KAUXOGBCAVBGIB-SJORKVTESA-N	1	0	359.474	1.240	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)c3cscn3)[C@@H](C)C2)CC1	ZINC001129497585	938436662	/nfs/dbraw/zinc/43/66/62/938436662.db2.gz	PSGSUFPELURPCQ-AWEZNQCLSA-N	1	0	360.483	1.161	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)n2nc(C)cc2C)[C@@H](n2ccnn2)C1	ZINC001129485169	938440918	/nfs/dbraw/zinc/44/09/18/938440918.db2.gz	YQHYREQVZMABFF-KURKYZTESA-N	1	0	371.489	1.660	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@@H]1n1ccnn1)c1ccccc1	ZINC001129604110	938463201	/nfs/dbraw/zinc/46/32/01/938463201.db2.gz	XCHBJSLCIUADNU-UAGQMJEPSA-N	1	0	370.482	1.638	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)cc2)[C@@H](n2ccnn2)C1	ZINC001129667236	938478595	/nfs/dbraw/zinc/47/85/95/938478595.db2.gz	SERPQJWYMHAKQQ-MSOLQXFVSA-N	1	0	355.442	1.795	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]C[C@@H](O)C2CCCCC2)[C@@H](n2ccnn2)C1	ZINC001129667224	938478678	/nfs/dbraw/zinc/47/86/78/938478678.db2.gz	RSDPXINKZGAXIG-FGTMMUONSA-N	1	0	361.490	1.527	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CC/C=C/CC)[C@@H](n2ccnn2)C1	ZINC001129675150	938490182	/nfs/dbraw/zinc/49/01/82/938490182.db2.gz	IYZSIEQFGJQPSK-BZIZVJOOSA-N	1	0	361.490	1.957	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129675484	938490360	/nfs/dbraw/zinc/49/03/60/938490360.db2.gz	NRSRONOUFJGOCO-UHOSZYNNSA-N	1	0	369.469	1.801	20	30		FDEDRO
O=C(/C=C\C1CC1)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129733151	938496693	/nfs/dbraw/zinc/49/66/93/938496693.db2.gz	PJVYFKPPAAEOLX-VSUDTEGISA-N	1	0	361.449	1.638	20	30		FDEDRO
CCC(CC)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1n1ccnn1	ZINC001129762223	938503006	/nfs/dbraw/zinc/50/30/06/938503006.db2.gz	JOYBPGAMDYMTIY-SJORKVTESA-N	1	0	355.446	1.569	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CC2(OC)CCC2)C[C@@H]1n1ccnn1	ZINC001129791402	938508079	/nfs/dbraw/zinc/50/80/79/938508079.db2.gz	CLADZYUEKSJRMT-BBWFWOEESA-N	1	0	361.490	1.934	20	30		FDEDRO
CC/C=C/CC[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1n1ccnn1	ZINC001129777821	938513531	/nfs/dbraw/zinc/51/35/31/938513531.db2.gz	DFDUUHPIATYLAA-YRLOJYSSSA-N	1	0	353.430	1.489	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCCCO2)[C@@H](n2ccnn2)C1	ZINC001129822223	938521889	/nfs/dbraw/zinc/52/18/89/938521889.db2.gz	LHFYTBNWYLSTQA-KSZLIROESA-N	1	0	359.474	1.238	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CC2CC3(CCC3)C2)[C@@H](n2ccnn2)C1	ZINC001129829264	938523448	/nfs/dbraw/zinc/52/34/48/938523448.db2.gz	DEQIXGLMUHGUGW-JQHSSLGASA-N	1	0	371.485	1.238	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cn2ccc(C)n2)C[C@@H]1n1ccnn1	ZINC001129866354	938525406	/nfs/dbraw/zinc/52/54/06/938525406.db2.gz	AEVXASXETKTMLN-JQHSSLGASA-N	1	0	371.489	1.427	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c(Cl)cnn2C)C[C@@H]1n1ccnn1	ZINC001129846538	938525909	/nfs/dbraw/zinc/52/59/09/938525909.db2.gz	ZWVCPRDCWHMBMA-KGLIPLIRSA-N	1	0	363.853	1.287	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)cc1	ZINC001129856853	938529272	/nfs/dbraw/zinc/52/92/72/938529272.db2.gz	YIVKDOLMGSDSOL-WOJBJXKFSA-N	1	0	365.433	1.921	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H]([NH2+]C[C@@H](C)CC(C)C)[C@@H](n2ccnn2)C1	ZINC001129838062	938535190	/nfs/dbraw/zinc/53/51/90/938535190.db2.gz	QDLKVBLMUFWRTD-KSZLIROESA-N	1	0	361.490	1.342	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2scnc2CC)C[C@@H]1n1ccnn1	ZINC001129881755	938537635	/nfs/dbraw/zinc/53/76/35/938537635.db2.gz	REFUJIRFCLCGMK-CABCVRRESA-N	1	0	360.487	1.919	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cnn(C)c2C)C[C@@H]1n1ccnn1	ZINC001129887848	938540739	/nfs/dbraw/zinc/54/07/39/938540739.db2.gz	UDYMGXCSOQSQIP-QGTPRVQTSA-N	1	0	371.489	1.259	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCOCC(F)F)C[C@@H]1n1ccnn1	ZINC001129866885	938543471	/nfs/dbraw/zinc/54/34/71/938543471.db2.gz	JWAUNHJNLALJGG-KGLIPLIRSA-N	1	0	357.405	1.258	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(C)nnc2C)C[C@@H]1n1ccnn1	ZINC001129876285	938546721	/nfs/dbraw/zinc/54/67/21/938546721.db2.gz	IRQKWJFZNRIKHM-XWIAVFTESA-N	1	0	369.473	1.695	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)noc2C(F)F)C[C@@H]1n1ccnn1	ZINC001129904478	938547770	/nfs/dbraw/zinc/54/77/70/938547770.db2.gz	GXHRSDKNGLWAQS-NEPJUHHUSA-N	1	0	364.356	1.191	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc(C(N)=O)n2)C1	ZINC001086625915	938552035	/nfs/dbraw/zinc/55/20/35/938552035.db2.gz	ICGGJAXYLIMERN-QFBILLFUSA-N	1	0	364.449	1.954	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)n(CC)n2)C[C@@H]1n1ccnn1	ZINC001129894323	938555570	/nfs/dbraw/zinc/55/55/70/938555570.db2.gz	AUOQTCGOTYRGNM-AEFFLSMTSA-N	1	0	367.457	1.051	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc3c2O[C@@H](C)C3)C[C@@H]1n1ccnn1	ZINC001129936531	938563729	/nfs/dbraw/zinc/56/37/29/938563729.db2.gz	CLOHAWZBFMUHGC-QGTPRVQTSA-N	1	0	367.453	1.833	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(OCC)no2)C[C@@H]1n1ccnn1	ZINC001129936508	938563813	/nfs/dbraw/zinc/56/38/13/938563813.db2.gz	BKIYBDCXXLKRBC-KGLIPLIRSA-N	1	0	360.418	1.286	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(CC)[nH]c(=O)c2)C[C@@H]1n1ccnn1	ZINC001129936789	938564188	/nfs/dbraw/zinc/56/41/88/938564188.db2.gz	PIACLYZQZXVKRV-SJORKVTESA-N	1	0	370.457	1.563	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ncc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001129939637	938565369	/nfs/dbraw/zinc/56/53/69/938565369.db2.gz	OYGSXOLEWSHURO-SJORKVTESA-N	1	0	370.457	1.148	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@@H]1n1ccnn1	ZINC001129939409	938565514	/nfs/dbraw/zinc/56/55/14/938565514.db2.gz	DZUHVPDRWIAAQD-IECFSIQFSA-N	1	0	359.474	1.401	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)CC(F)F)C[C@@H]1n1ccnn1	ZINC001129941170	938566341	/nfs/dbraw/zinc/56/63/41/938566341.db2.gz	MJWMKMARHBZCOO-MJBXVCDLSA-N	1	0	357.405	1.114	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccncc2OC(C)C)C[C@@H]1n1ccnn1	ZINC001129941230	938566662	/nfs/dbraw/zinc/56/66/62/938566662.db2.gz	PNWWFEGHRGBGBI-SJORKVTESA-N	1	0	368.441	1.139	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3ccccc3O2)C[C@@H]1n1ccnn1	ZINC001129927079	938571393	/nfs/dbraw/zinc/57/13/93/938571393.db2.gz	MCKLBEOHMOEGRF-SOLBZPMBSA-N	1	0	353.426	1.199	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(COC)o2)C[C@@H]1n1ccnn1	ZINC001129927391	938571736	/nfs/dbraw/zinc/57/17/36/938571736.db2.gz	VYRGNKXFCDFVNI-CVEARBPZSA-N	1	0	359.430	1.639	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccc(OC)nc2)C[C@@H]1n1ccnn1	ZINC001129927502	938571957	/nfs/dbraw/zinc/57/19/57/938571957.db2.gz	ZTBQHCIQDVRPKC-UAGQMJEPSA-N	1	0	370.457	1.692	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(F)cc2C)C[C@@H]1n1ccnn1	ZINC001129954258	938576286	/nfs/dbraw/zinc/57/62/86/938576286.db2.gz	FEQJECMAKZGDNF-SJORKVTESA-N	1	0	355.417	1.713	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)c2n[nH]nc2C)C[C@@H]1n1ccnn1	ZINC001129954657	938576506	/nfs/dbraw/zinc/57/65/06/938576506.db2.gz	YPKPBCZZBAEAHH-CABCVRRESA-N	1	0	360.466	1.330	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)ccnc2OCC)C[C@@H]1n1ccnn1	ZINC001129943301	938580091	/nfs/dbraw/zinc/58/00/91/938580091.db2.gz	WDNJTDDBRVPNGV-CVEARBPZSA-N	1	0	368.441	1.059	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H]([NH2+]CCOCC(C)C)[C@@H](n2ccnn2)C1	ZINC001129977866	938593179	/nfs/dbraw/zinc/59/31/79/938593179.db2.gz	IJTMKMKTXHGAKK-KSZLIROESA-N	1	0	363.506	1.895	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1	ZINC001129978118	938593774	/nfs/dbraw/zinc/59/37/74/938593774.db2.gz	RATSARFDHDOTRJ-JQHSSLGASA-N	1	0	354.458	1.817	20	30		FDEDRO
CCc1ccccc1C(=O)N1C[C@@H]([NH2+]CC#CCOC)[C@@H](n2ccnn2)C1	ZINC001129985433	938596298	/nfs/dbraw/zinc/59/62/98/938596298.db2.gz	XEGJHSQGZDTYFR-MOPGFXCFSA-N	1	0	367.453	1.146	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](CCC)c2ccccn2)C[C@@H]1n1ccnn1	ZINC001129983305	938598072	/nfs/dbraw/zinc/59/80/72/938598072.db2.gz	WKWQBKGLUIQTGY-QRQLOZEOSA-N	1	0	366.469	1.622	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H]([NH2+]CCc2cnn(C)c2)[C@@H](n2ccnn2)C1	ZINC001129976067	938600351	/nfs/dbraw/zinc/60/03/51/938600351.db2.gz	DWKLZDACOLKPRK-NXHRZFHOSA-N	1	0	371.489	1.198	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)(C)C)nn2C)C[C@@H]1n1ccnn1	ZINC001129995816	938604343	/nfs/dbraw/zinc/60/43/43/938604343.db2.gz	LABMDMCTWXCSSH-ZBFHGGJFSA-N	1	0	371.489	1.541	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]([NH2+]C[C@@H](F)CC)[C@@H](n3ccnn3)C2)c1	ZINC001129997281	938605192	/nfs/dbraw/zinc/60/51/92/938605192.db2.gz	HBTPJUCUNMLAPZ-BBWFWOEESA-N	1	0	356.405	1.058	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]([NH2+][C@@H](C)CCC=C)[C@@H](n3ccnn3)C2)c1	ZINC001129997191	938605198	/nfs/dbraw/zinc/60/51/98/938605198.db2.gz	CPWDUVQEBVMSKO-IPELMVKDSA-N	1	0	364.453	1.664	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@]23C[C@@H]2CCCC3)C[C@@H]1n1ccnn1	ZINC001129997624	938605910	/nfs/dbraw/zinc/60/59/10/938605910.db2.gz	VBRNFMWHVKSABG-ZMMAXQRCSA-N	1	0	359.474	1.403	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC(F)(F)C2)C[C@@H]1n1ccnn1	ZINC001130002773	938609118	/nfs/dbraw/zinc/60/91/18/938609118.db2.gz	QRGGNBWHZXUIEC-ZNMIVQPWSA-N	1	0	351.401	1.468	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCc3ccccc3OC2)CC1	ZINC000804899571	938612833	/nfs/dbraw/zinc/61/28/33/938612833.db2.gz	YCPQKWJVPVHLCR-SFHVURJKSA-N	1	0	371.481	1.653	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(CC)cn2)C[C@@H]1n1ccnn1	ZINC001130014391	938615430	/nfs/dbraw/zinc/61/54/30/938615430.db2.gz	KEYBCFZPQJJHBX-MOPGFXCFSA-N	1	0	368.485	1.786	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc3cc[nH]c32)C[C@@H]1n1ccnn1	ZINC001130015210	938616640	/nfs/dbraw/zinc/61/66/40/938616640.db2.gz	MWQCFKIJOOPBNN-SJORKVTESA-N	1	0	350.426	1.991	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H]([NH2+]C[C@H]2CCCOC2)[C@@H](n2ccnn2)C1	ZINC001130022874	938621033	/nfs/dbraw/zinc/62/10/33/938621033.db2.gz	PTWIBMYCRZQXCT-ZACQAIPSSA-N	1	0	361.490	1.649	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cncc(OC)n2)C[C@@H]1n1ccnn1	ZINC001130027951	938630303	/nfs/dbraw/zinc/63/03/03/938630303.db2.gz	DKGGKFGRPWHPEC-IMJJTQAJSA-N	1	0	371.445	1.087	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnc(C(C)C)nc2C)C[C@@H]1n1ccnn1	ZINC001130028153	938630441	/nfs/dbraw/zinc/63/04/41/938630441.db2.gz	JCIWYDUXPJLBQI-SJORKVTESA-N	1	0	367.457	1.179	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COCc2ccccc2C)C[C@@H]1n1ccnn1	ZINC001130032567	938633465	/nfs/dbraw/zinc/63/34/65/938633465.db2.gz	HVBORSZUBJEAAQ-MOPGFXCFSA-N	1	0	367.453	1.168	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC=C(C)C)[C@@H](n2ccnn2)C1	ZINC001130034344	938634685	/nfs/dbraw/zinc/63/46/85/938634685.db2.gz	MHOKMTSKDOVOLN-RDGPPVDQSA-N	1	0	373.501	1.957	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(C)nc(C)n2)C[C@@H]1n1ccnn1	ZINC001130038185	938636309	/nfs/dbraw/zinc/63/63/09/938636309.db2.gz	QPUMXVGSQJLEKJ-SJORKVTESA-N	1	0	355.446	1.306	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnn(CC)c2C)C[C@@H]1n1ccnn1	ZINC001130050400	938637566	/nfs/dbraw/zinc/63/75/66/938637566.db2.gz	XJILEPZKOYWJDC-QGTPRVQTSA-N	1	0	371.489	1.813	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3c2C[C@@H](C)CC3)C[C@@H]1n1ccnn1	ZINC001130062817	938651276	/nfs/dbraw/zinc/65/12/76/938651276.db2.gz	YLQKZBPLNADUAH-XKQJLSEDSA-N	1	0	369.473	1.357	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)nc2OCC)C[C@@H]1n1ccnn1	ZINC001130066863	938655550	/nfs/dbraw/zinc/65/55/50/938655550.db2.gz	NTMUJXVXPXIIDK-SJORKVTESA-N	1	0	368.441	1.059	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2conc2COC)C[C@@H]1n1ccnn1	ZINC001130081631	938663214	/nfs/dbraw/zinc/66/32/14/938663214.db2.gz	YOGUZMYRCSLLEL-ZBFHGGJFSA-N	1	0	360.418	1.034	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2Cl)C[C@@H]1n1ccnn1	ZINC001130081660	938663243	/nfs/dbraw/zinc/66/32/43/938663243.db2.gz	ZZEWAHXXDUFKLY-KGLIPLIRSA-N	1	0	363.853	1.287	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3n[nH]cc3C2)C[C@@H]1n1ccnn1	ZINC001130083694	938664950	/nfs/dbraw/zinc/66/49/50/938664950.db2.gz	GAOPIKVARYLIIN-QGTPRVQTSA-N	1	0	369.473	1.114	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(CC(C)C)c[nH]2)C[C@@H]1n1ccnn1	ZINC001130085912	938667088	/nfs/dbraw/zinc/66/70/88/938667088.db2.gz	CYLZTVZDQARORT-MSOLQXFVSA-N	1	0	354.458	1.483	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCC2CCN(C(=O)OC)CC2)CC1	ZINC000805081792	938669698	/nfs/dbraw/zinc/66/96/98/938669698.db2.gz	KIIZSWLLEYRKHQ-UHFFFAOYSA-N	1	0	352.479	1.805	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3cccnc3s2)C[C@@H]1n1ccnn1	ZINC001130077593	938670899	/nfs/dbraw/zinc/67/08/99/938670899.db2.gz	PKRVHPUKHFYVPW-CABCVRRESA-N	1	0	366.450	1.566	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H]([NH2+]CCCC)[C@@H](n2ccnn2)C1	ZINC001130091290	938676355	/nfs/dbraw/zinc/67/63/55/938676355.db2.gz	JTSNHEIACALEOB-SJORKVTESA-N	1	0	368.441	1.141	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cn2cc3ccccc3n2)C[C@@H]1n1ccnn1	ZINC001130091240	938676474	/nfs/dbraw/zinc/67/64/74/938676474.db2.gz	HRYUZDQAYNTZQS-MSOLQXFVSA-N	1	0	365.441	1.246	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cccc(OC)c2)C[C@@H]1n1ccnn1	ZINC001130099607	938682153	/nfs/dbraw/zinc/68/21/53/938682153.db2.gz	KVVABTJALZBJCW-MSOLQXFVSA-N	1	0	371.441	1.145	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c(C)nn(C)c2F)C[C@@H]1n1ccnn1	ZINC001130105073	938686035	/nfs/dbraw/zinc/68/60/35/938686035.db2.gz	JFTPOHIXCUQJOO-KGLIPLIRSA-N	1	0	361.425	1.081	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn3c2C[C@H](C)CC3)C[C@@H]1n1ccnn1	ZINC001130107717	938687424	/nfs/dbraw/zinc/68/74/24/938687424.db2.gz	XNHLOMBKLWWFOW-KYJSFNMBSA-N	1	0	369.473	1.288	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]([NH2+]CCCC=C)[C@@H](n2ccnn2)C1	ZINC001130110098	938688995	/nfs/dbraw/zinc/68/89/95/938688995.db2.gz	UVSDEPDCWHBKSH-UXHICEINSA-N	1	0	363.465	1.810	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130111336	938690275	/nfs/dbraw/zinc/69/02/75/938690275.db2.gz	DHCGFHWVZWJFGU-NXHRZFHOSA-N	1	0	355.442	1.663	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130112500	938692074	/nfs/dbraw/zinc/69/20/74/938692074.db2.gz	CTUFMFZMFVSZIX-QRQLOZEOSA-N	1	0	351.454	1.837	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2ccccc2OC)C[C@@H]1n1ccnn1	ZINC001130112839	938692622	/nfs/dbraw/zinc/69/26/22/938692622.db2.gz	TYXPKWDPVZMDLT-SJORKVTESA-N	1	0	355.442	1.447	20	30		FDEDRO
C=C[C@H](C)NC(=O)N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000805195745	938693234	/nfs/dbraw/zinc/69/32/34/938693234.db2.gz	AOECRWCTLZMULB-LSDHHAIUSA-N	1	0	352.479	1.898	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](CCC)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130114905	938694272	/nfs/dbraw/zinc/69/42/72/938694272.db2.gz	JBQNAAJOHOEBCT-QRVBRYPASA-N	1	0	351.454	1.837	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cncnc2CC)C[C@@H]1n1ccnn1	ZINC001130125252	938695988	/nfs/dbraw/zinc/69/59/88/938695988.db2.gz	DSPVRWXPLMOQMM-SJORKVTESA-N	1	0	355.446	1.252	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C)COc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130125584	938696662	/nfs/dbraw/zinc/69/66/62/938696662.db2.gz	VOCDDWYPGMSEQF-QRQLOZEOSA-N	1	0	369.469	1.911	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130118810	938702069	/nfs/dbraw/zinc/70/20/69/938702069.db2.gz	OUAUPZYEESWVGJ-MSOLQXFVSA-N	1	0	351.454	1.621	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2c(C)n[nH]c2C)C[C@@H]1n1ccnn1	ZINC001130123126	938705108	/nfs/dbraw/zinc/70/51/08/938705108.db2.gz	HTJZWMUMUCMDBX-MSOLQXFVSA-N	1	0	371.489	1.559	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2nc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001130123718	938705680	/nfs/dbraw/zinc/70/56/80/938705680.db2.gz	ZEGHSWLEQPGIHB-KSZLIROESA-N	1	0	371.489	1.660	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CCOCCCC)[C@@H](n2ccnn2)C1	ZINC001130151499	938715978	/nfs/dbraw/zinc/71/59/78/938715978.db2.gz	UCOVXOGIUAZEBJ-ZACQAIPSSA-N	1	0	365.478	1.027	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnc(C(C)C)s2)C[C@@H]1n1ccnn1	ZINC001130158429	938719860	/nfs/dbraw/zinc/71/98/60/938719860.db2.gz	JEZBRROEMWEDDP-KGLIPLIRSA-N	1	0	358.471	1.537	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](OC)c2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001130158628	938720085	/nfs/dbraw/zinc/72/00/85/938720085.db2.gz	OUIYWNLWSINHSN-FGTMMUONSA-N	1	0	371.416	1.170	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](OC)c2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001130158798	938720123	/nfs/dbraw/zinc/72/01/23/938720123.db2.gz	RVRZTZBXHNNAHU-FGTMMUONSA-N	1	0	371.416	1.170	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3n(c2)CCCC3)C[C@@H]1n1ccnn1	ZINC001130158791	938720171	/nfs/dbraw/zinc/72/01/71/938720171.db2.gz	RKOHXMPACLMEJW-MSOLQXFVSA-N	1	0	352.442	1.095	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C)s2)[nH]1	ZINC001130177436	938724901	/nfs/dbraw/zinc/72/49/01/938724901.db2.gz	AEEMQUPMZOPDAV-STQMWFEESA-N	1	0	361.471	1.753	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cncs2)[nH]1	ZINC001130187705	938733883	/nfs/dbraw/zinc/73/38/83/938733883.db2.gz	FGHKCNYVDXLCAG-RYUDHWBXSA-N	1	0	362.459	1.229	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H](C)CCC)[nH]1	ZINC001130193177	938737839	/nfs/dbraw/zinc/73/78/39/938737839.db2.gz	LSOPWVXPNRZNGD-PMPSAXMXSA-N	1	0	361.490	1.733	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(=O)C(C)(C)C)[nH]1	ZINC001130198428	938740183	/nfs/dbraw/zinc/74/01/83/938740183.db2.gz	KPMFFJYGQRDBMR-STQMWFEESA-N	1	0	363.462	1.074	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C=C(CC)CC)n1	ZINC001130198297	938740293	/nfs/dbraw/zinc/74/02/93/938740293.db2.gz	FCTDSHBISMUZCT-HOTGVXAUSA-N	1	0	359.474	1.653	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCC)[nH]1	ZINC001130209674	938747586	/nfs/dbraw/zinc/74/75/86/938747586.db2.gz	JWVBGZRPMDDWCD-DEYYWGMASA-N	1	0	365.478	1.010	20	30		FDEDRO
CC(C)C#CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCC(C)C)[nH]1	ZINC001130209978	938747970	/nfs/dbraw/zinc/74/79/70/938747970.db2.gz	SLVLFJYCRKWXCF-HOTGVXAUSA-N	1	0	361.490	1.589	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc[nH]c2)n1	ZINC001130212896	938750089	/nfs/dbraw/zinc/75/00/89/938750089.db2.gz	JRRCORQKQWALHC-STQMWFEESA-N	1	0	364.837	1.277	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C3CC3)CC2)[nH]1	ZINC001130216290	938752794	/nfs/dbraw/zinc/75/27/94/938752794.db2.gz	RRUPXMFILVHICV-GJZGRUSLSA-N	1	0	359.474	1.649	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(CC#C)CCC2)[nH]1	ZINC001130216460	938753093	/nfs/dbraw/zinc/75/30/93/938753093.db2.gz	XWCSRJXFRRAYLX-HOTGVXAUSA-N	1	0	369.469	1.100	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C)c(C)o2)n1	ZINC001130200105	938753850	/nfs/dbraw/zinc/75/38/50/938753850.db2.gz	AKBVOYOHNRIMJD-ZFWWWQNUSA-N	1	0	357.414	1.040	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC2(C)C)[nH]1	ZINC001130200843	938754488	/nfs/dbraw/zinc/75/44/88/938754488.db2.gz	YDQGDEBXTMPKFH-ZNMIVQPWSA-N	1	0	361.490	1.895	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)C(C)(C)C)[nH]1	ZINC001130221069	938756511	/nfs/dbraw/zinc/75/65/11/938756511.db2.gz	SDHVRECAIKOARL-KKUMJFAQSA-N	1	0	361.490	1.589	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCCC23CC3)n1	ZINC001130221132	938756669	/nfs/dbraw/zinc/75/66/69/938756669.db2.gz	WBYMATMXEIJGCQ-XHSDSOJGSA-N	1	0	371.485	1.487	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)COC)[nH]1	ZINC001130223578	938757389	/nfs/dbraw/zinc/75/73/89/938757389.db2.gz	XSRGJIBIGDRMBX-KBPBESRZSA-N	1	0	365.478	1.132	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@]23C[C@H]2CCCC3)n1	ZINC001130240059	938758949	/nfs/dbraw/zinc/75/89/49/938758949.db2.gz	GRLAXNCRFVHUNH-NARAOEGZSA-N	1	0	371.485	1.487	20	30		FDEDRO
C#Cc1ccc(C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CCF)[nH]2)cc1	ZINC001130225170	938759655	/nfs/dbraw/zinc/75/96/55/938759655.db2.gz	VZCGNXWZRNKTRK-HOTGVXAUSA-N	1	0	371.416	1.148	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCCC2(C)C)n1	ZINC001130227711	938761584	/nfs/dbraw/zinc/76/15/84/938761584.db2.gz	LDVGJXZFYPXEOO-ZNMIVQPWSA-N	1	0	359.474	1.343	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC2CC(C)(C)C2)[nH]1	ZINC001130229907	938763268	/nfs/dbraw/zinc/76/32/68/938763268.db2.gz	HGKGUHGCYKCRGY-GJZGRUSLSA-N	1	0	361.490	1.895	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(C3CCC3)CCC2)n1	ZINC001130229935	938763275	/nfs/dbraw/zinc/76/32/75/938763275.db2.gz	IZIIKKSGTZJZSL-HOTGVXAUSA-N	1	0	371.485	1.487	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)C2CC2)[nH]1	ZINC001130234872	938766288	/nfs/dbraw/zinc/76/62/88/938766288.db2.gz	NAVKXUATEVBJSX-GJZGRUSLSA-N	1	0	361.490	1.895	20	30		FDEDRO
C=CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C[C@H](C)OC)[nH]1	ZINC001130237780	938767071	/nfs/dbraw/zinc/76/70/71/938767071.db2.gz	DMNDTNGZIQJMOJ-KKUMJFAQSA-N	1	0	365.478	1.274	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H](C)C(C)(C)C)n1	ZINC001130251158	938774308	/nfs/dbraw/zinc/77/43/08/938774308.db2.gz	FQFXNDNRNFLTLQ-ILXRZTDVSA-N	1	0	361.490	1.589	20	30		FDEDRO
C=CCO[C@H](C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(C)C)[nH]1	ZINC001130251273	938774586	/nfs/dbraw/zinc/77/45/86/938774586.db2.gz	KWUNKNNYYYNYCR-ILXRZTDVSA-N	1	0	365.478	1.130	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(F)s2)[nH]1	ZINC001130253561	938775321	/nfs/dbraw/zinc/77/53/21/938775321.db2.gz	CQDXUXMSMUXRSF-QWRGUYRKSA-N	1	0	365.434	1.583	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCOC(C)C)CC1	ZINC001130274251	938786489	/nfs/dbraw/zinc/78/64/89/938786489.db2.gz	DHXBXMBOBKADDV-XLIONFOSSA-N	1	0	363.502	1.300	20	30		FDEDRO
CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CSCC#N)CC1	ZINC001130274451	938786746	/nfs/dbraw/zinc/78/67/46/938786746.db2.gz	OLNJVEPXUZSZOG-QAPCUYQASA-N	1	0	366.531	1.519	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCCCOC)CC1	ZINC001130285541	938790503	/nfs/dbraw/zinc/79/05/03/938790503.db2.gz	JGZHHPDKCBHQME-XLIONFOSSA-N	1	0	363.502	1.302	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](OC)C2CC2)CC1	ZINC001130288299	938793134	/nfs/dbraw/zinc/79/31/34/938793134.db2.gz	NTUVJPLFZSLHKT-NZSAHSFTSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+]([C@H](C)COC)CC1	ZINC001130291134	938795939	/nfs/dbraw/zinc/79/59/39/938795939.db2.gz	YOVQSJYNABRNLT-MDYRTPRTSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCOC)CC1	ZINC001130295908	938798505	/nfs/dbraw/zinc/79/85/05/938798505.db2.gz	XIOCVFJAFGUJGD-SUMDDJOVSA-N	1	0	365.518	1.711	20	30		FDEDRO
CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC#Cc2ccccc2)CC1	ZINC001130310374	938806830	/nfs/dbraw/zinc/80/68/30/938806830.db2.gz	DHIKEGDDTUQQBJ-KNQAVFIVSA-N	1	0	367.493	1.924	20	30		FDEDRO
C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1nc2ccccc2c(=O)n1CC#N	ZINC000805769072	938827654	/nfs/dbraw/zinc/82/76/54/938827654.db2.gz	RRISEUGKZKNKHA-QAPCUYQASA-N	1	0	351.454	1.979	20	30		FDEDRO
CNC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000805825950	938833732	/nfs/dbraw/zinc/83/37/32/938833732.db2.gz	LCJRSKKBXSOSBW-DLBZAZTESA-N	1	0	361.442	1.703	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cccn2C)C[C@H]1c1cn(C)cn1	ZINC001130502324	938885197	/nfs/dbraw/zinc/88/51/97/938885197.db2.gz	HPRHHBXAWKIFTK-DOTOQJQBSA-N	1	0	357.458	1.159	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)/C=C/C(C)(C)C)C[C@H]1c1cn(C)cn1	ZINC001130542426	938899420	/nfs/dbraw/zinc/89/94/20/938899420.db2.gz	YZAQXOXUSBGRPY-LEAZNMPDSA-N	1	0	358.486	1.556	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2ncc[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130574382	939874662	/nfs/dbraw/zinc/87/46/62/939874662.db2.gz	SXAGUEGEIOBQMY-DOTOQJQBSA-N	1	0	356.474	1.626	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@H]2CCCOC2)C1	ZINC001130578564	939891253	/nfs/dbraw/zinc/89/12/53/939891253.db2.gz	TYAPXDRCHIHRKQ-ZIFCJYIRSA-N	1	0	358.486	1.534	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCc2ccns2)C1	ZINC001130580847	939893729	/nfs/dbraw/zinc/89/37/29/939893729.db2.gz	OAHNWJYRUBVXJA-FUHWJXTLSA-N	1	0	371.510	1.807	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3cn[nH]c32)C[C@H]1c1cn(C)cn1	ZINC001130590593	939897742	/nfs/dbraw/zinc/89/77/42/939897742.db2.gz	YHTMTWYPLYSMQM-XYJFISCASA-N	1	0	366.469	1.171	20	30		FDEDRO
Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1c1cn(C)cn1	ZINC001130594728	939901793	/nfs/dbraw/zinc/90/17/93/939901793.db2.gz	WMFFSAJLALCNDQ-DOTOQJQBSA-N	1	0	369.469	1.850	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(Cl)cnn2C)C[C@H]1c1cn(C)cn1	ZINC001130596551	939903567	/nfs/dbraw/zinc/90/35/67/939903567.db2.gz	IXDJPQQXRCKNDG-SWLSCSKDSA-N	1	0	360.849	1.028	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2snnc2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130610311	939907631	/nfs/dbraw/zinc/90/76/31/939907631.db2.gz	HYHYKIBBLUWRNJ-DZGCQCFKSA-N	1	0	370.482	1.370	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1c1cn(C)cn1	ZINC001130612071	939910235	/nfs/dbraw/zinc/91/02/35/939910235.db2.gz	PRMABEDWFBCVKB-JLJPHGGASA-N	1	0	370.457	1.468	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(F)(F)C2)C[C@H]1c1cn(C)cn1	ZINC001130604486	939915796	/nfs/dbraw/zinc/91/57/96/939915796.db2.gz	CHHPBCVQGALSRU-IJEWVQPXSA-N	1	0	350.413	1.763	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1c1cn(C)cn1	ZINC001130608024	939920042	/nfs/dbraw/zinc/92/00/42/939920042.db2.gz	XFPSFRGPBICWAZ-WMLDXEAASA-N	1	0	370.457	1.173	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)(C)C)on2)C[C@H]1c1cn(C)cn1	ZINC001130623847	939921982	/nfs/dbraw/zinc/92/19/82/939921982.db2.gz	JTJLYJJIEQYYTF-WMLDXEAASA-N	1	0	369.469	1.927	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(COC)o2)C[C@H]1c1cn(C)cn1	ZINC001130624567	939922629	/nfs/dbraw/zinc/92/26/29/939922629.db2.gz	YUZNNMVAZROQIQ-DOTOQJQBSA-N	1	0	358.442	1.933	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2snnc2CC)C[C@H]1c1cn(C)cn1	ZINC001130624498	939922660	/nfs/dbraw/zinc/92/26/60/939922660.db2.gz	XEYILECSSQHTLD-SWLSCSKDSA-N	1	0	358.471	1.055	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)nc2)C[C@H]1c1cn(C)cn1	ZINC001130627007	939924621	/nfs/dbraw/zinc/92/46/21/939924621.db2.gz	WRXFMZAPOZWTRD-DOTOQJQBSA-N	1	0	353.426	1.045	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)nc2)C[C@H]1c1cn(C)cn1	ZINC001130627180	939924629	/nfs/dbraw/zinc/92/46/29/939924629.db2.gz	YONTUYZKUKPNQO-FUHWJXTLSA-N	1	0	369.469	1.988	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cn2cc(C3CC3)cn2)C[C@H]1c1cn(C)cn1	ZINC001130619100	939929835	/nfs/dbraw/zinc/92/98/35/939929835.db2.gz	ARCNBZDNTRYZGC-PKOBYXMFSA-N	1	0	366.469	1.102	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCOC[C@H]2CCCO2)C[C@H]1c1cn(C)cn1	ZINC001130621972	939931664	/nfs/dbraw/zinc/93/16/64/939931664.db2.gz	JXUYLGCCKRESLJ-SOLBZPMBSA-N	1	0	362.474	1.076	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(CC)nnc2C)C[C@H]1c1cn(C)cn1	ZINC001130632567	939935927	/nfs/dbraw/zinc/93/59/27/939935927.db2.gz	GMHDBFKRCDJPSZ-PKOBYXMFSA-N	1	0	366.469	1.302	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2cncc(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130632549	939936038	/nfs/dbraw/zinc/93/60/38/939936038.db2.gz	FIKWGFUTFPVLTB-PKOBYXMFSA-N	1	0	351.454	1.274	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]C[C@H](C)OC)C2)cc1	ZINC001130637578	939939233	/nfs/dbraw/zinc/93/92/33/939939233.db2.gz	AHOMCQPIEPYLPJ-ZAAXVRCTSA-N	1	0	366.465	1.634	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cncnc2)C[C@H]1c1cn(C)cn1	ZINC001130654935	939948687	/nfs/dbraw/zinc/94/86/87/939948687.db2.gz	WRPCVXJGLPKAHW-QILLFSRXSA-N	1	0	354.458	1.474	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCC[C@@H](C)O)C1	ZINC001130644388	939952467	/nfs/dbraw/zinc/95/24/67/939952467.db2.gz	POGJHTRDCUXXRU-ZIFCJYIRSA-N	1	0	360.502	1.659	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(=O)NCC)C1	ZINC001130657115	939961483	/nfs/dbraw/zinc/96/14/83/939961483.db2.gz	ZLZZMTKPBGYXTJ-YQQAZPJKSA-N	1	0	361.490	1.043	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)CC(F)(F)F)C[C@H]1c1cn(C)cn1	ZINC001130659038	939965010	/nfs/dbraw/zinc/96/50/10/939965010.db2.gz	BBRBWIZNYMKCIB-KCQAQPDRSA-N	1	0	356.392	1.916	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC[C@@H](C)F)C2)c1	ZINC001130669513	939970014	/nfs/dbraw/zinc/97/00/14/939970014.db2.gz	FYJNMJOYFIERII-DKSSEZFCSA-N	1	0	369.444	1.742	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2cncs2)C[C@H]1c1cn(C)cn1	ZINC001130672106	939970985	/nfs/dbraw/zinc/97/09/85/939970985.db2.gz	HHOXZDAXQILDGB-DOTOQJQBSA-N	1	0	357.483	1.417	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cn2ccc(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130675148	939973002	/nfs/dbraw/zinc/97/30/02/939973002.db2.gz	OPYWECQRJBHXOM-FUHWJXTLSA-N	1	0	356.474	1.475	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CC(F)(F)C(F)F)C[C@H]1c1cn(C)cn1	ZINC001130677652	939974238	/nfs/dbraw/zinc/97/42/38/939974238.db2.gz	DAPVQFJSRMTXAG-WCQYABFASA-N	1	0	360.355	1.618	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCn2cccn2)C1	ZINC001130685355	939975391	/nfs/dbraw/zinc/97/53/91/939975391.db2.gz	PSXWEDBNVSFRPQ-FUHWJXTLSA-N	1	0	370.501	1.803	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCC2CCOCC2)C[C@H]1c1cn(C)cn1	ZINC001130687854	939977917	/nfs/dbraw/zinc/97/79/17/939977917.db2.gz	UCBUPOBXIYRZAL-PKOBYXMFSA-N	1	0	358.486	1.534	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2ccnc2)C[C@H]1c1cn(C)cn1	ZINC001130682491	939982222	/nfs/dbraw/zinc/98/22/22/939982222.db2.gz	BGRHGCFRYMREDC-XYJFISCASA-N	1	0	354.458	1.175	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cn(CCC)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130704119	939984741	/nfs/dbraw/zinc/98/47/41/939984741.db2.gz	FCMIAQPFEJIGOQ-PKOBYXMFSA-N	1	0	368.485	1.556	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCCn2cncn2)C[C@H]1c1cn(C)cn1	ZINC001130706500	939987976	/nfs/dbraw/zinc/98/79/76/939987976.db2.gz	JDYDRVKYBYXACL-FUHWJXTLSA-N	1	0	371.489	1.342	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2scnc2C)C[C@H]1c1cn(C)cn1	ZINC001130706387	939988020	/nfs/dbraw/zinc/98/80/20/939988020.db2.gz	CKYNKYROTSGWLJ-DOTOQJQBSA-N	1	0	371.510	1.725	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn(CC(C)C)c2)C[C@H]1c1cn(C)cn1	ZINC001130700757	939995945	/nfs/dbraw/zinc/99/59/45/939995945.db2.gz	DLUWXXJJYJXJML-PKOBYXMFSA-N	1	0	368.485	1.494	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c3c(nn2C)CCC3)C[C@H]1c1cn(C)cn1	ZINC001130712765	939999438	/nfs/dbraw/zinc/99/94/38/939999438.db2.gz	KRULLKHYPGRGEK-MAUKXSAKSA-N	1	0	368.485	1.416	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2ccccn2)C[C@H]1c1cn(C)cn1	ZINC001130714677	940006177	/nfs/dbraw/zinc/00/61/77/940006177.db2.gz	HIFDZJCOFBKPFM-SOLBZPMBSA-N	1	0	369.469	1.743	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COCc2cccnc2)C[C@H]1c1cn(C)cn1	ZINC001130721320	940025109	/nfs/dbraw/zinc/02/51/09/940025109.db2.gz	AYMPYAZAEOSBLE-PKOBYXMFSA-N	1	0	369.469	1.492	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2C(C)C)C[C@H]1c1cn(C)cn1	ZINC001130726473	940032086	/nfs/dbraw/zinc/03/20/86/940032086.db2.gz	ZUUBBYDHJRAYDE-MAUKXSAKSA-N	1	0	368.485	1.498	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOC(C)C)C1	ZINC001130741473	940032989	/nfs/dbraw/zinc/03/29/89/940032989.db2.gz	DVAKUGBMUDHUEG-SOLBZPMBSA-N	1	0	364.490	1.320	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnc(CC)s2)C[C@H]1c1cn(C)cn1	ZINC001130737000	940038448	/nfs/dbraw/zinc/03/84/48/940038448.db2.gz	UAGYFFVIKMHWNR-DZGCQCFKSA-N	1	0	357.483	1.660	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCCC[C@H]2COC(=O)N(C)C)CC1	ZINC000806746788	940044442	/nfs/dbraw/zinc/04/44/42/940044442.db2.gz	KKWQXTBLXDHZBE-INIZCTEOSA-N	1	0	352.479	1.899	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H]3C=CCC3)n2)O1	ZINC001130756514	940078533	/nfs/dbraw/zinc/07/85/33/940078533.db2.gz	LITHFGRUMGKFBN-HRCADAONSA-N	1	0	357.458	1.610	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3ccsc3)n2)O1	ZINC001130756536	940079251	/nfs/dbraw/zinc/07/92/51/940079251.db2.gz	MLRMQCNPIFAOTP-UONOGXRCSA-N	1	0	359.455	1.168	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCSC)n2)O1	ZINC001130757817	940082626	/nfs/dbraw/zinc/08/26/26/940082626.db2.gz	HUSMSPQPSRTLKL-UONOGXRCSA-N	1	0	367.519	1.950	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3occc3C)n2)O1	ZINC001130760123	940088440	/nfs/dbraw/zinc/08/84/40/940088440.db2.gz	ZELMWCCUUBCSPN-UONOGXRCSA-N	1	0	357.414	1.469	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[N@@H+](CC)C[C@H]2C)s1	ZINC000822865955	945295298	/nfs/dbraw/zinc/29/52/98/945295298.db2.gz	HVTCZNFYBCBBMU-CYBMUJFWSA-N	1	0	371.528	1.308	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](CC)OCC)n2)O1	ZINC001130765518	940097356	/nfs/dbraw/zinc/09/73/56/940097356.db2.gz	WGGFVEPSLCKNRA-SOUVJXGZSA-N	1	0	363.462	1.069	20	30		FDEDRO
C=CCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]Cc3cccnc3)O2)n[nH]1	ZINC001130769653	940107181	/nfs/dbraw/zinc/10/71/81/940107181.db2.gz	NANXWIFDHVKRJT-JKSUJKDBSA-N	1	0	370.457	1.792	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCc3ccoc3)n2)O1	ZINC001130776845	940126905	/nfs/dbraw/zinc/12/69/05/940126905.db2.gz	OEVSOYDDDRZQDU-JKSUJKDBSA-N	1	0	371.441	1.480	20	30		FDEDRO
C#CCCCNC(=O)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000806909978	940138180	/nfs/dbraw/zinc/13/81/80/940138180.db2.gz	OQOQKGFTBVGRNI-DZFIZOCASA-N	1	0	355.482	1.789	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccoc3CC)n2)O1	ZINC001130783468	940143115	/nfs/dbraw/zinc/14/31/15/940143115.db2.gz	ZIDQNDJBMCSQLU-XJKSGUPXSA-N	1	0	371.441	1.723	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](F)C(C)C)n2)O1	ZINC001130796560	940152990	/nfs/dbraw/zinc/15/29/90/940152990.db2.gz	XYCBTGPNBSHLGX-GUTXKFCHSA-N	1	0	353.442	1.801	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(CC#C)CCC3)n2)O1	ZINC001130790167	940162718	/nfs/dbraw/zinc/16/27/18/940162718.db2.gz	KZAVBWOYQWQRRR-JKSUJKDBSA-N	1	0	369.469	1.448	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCC(F)(F)C3)n2)O1	ZINC001130790329	940164172	/nfs/dbraw/zinc/16/41/72/940164172.db2.gz	UNQGTZDBCJOEDU-FRRDWIJNSA-N	1	0	367.400	1.299	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC34CCC4)n2)O1	ZINC001130809323	940187618	/nfs/dbraw/zinc/18/76/18/940187618.db2.gz	RHJZDYTYPOYARY-RRFJBIMHSA-N	1	0	357.458	1.444	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](CCC)OC)n2)O1	ZINC001130799370	940191136	/nfs/dbraw/zinc/19/11/36/940191136.db2.gz	DPBWZPDRHLICHD-RRFJBIMHSA-N	1	0	365.478	1.622	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C)ccc3F)n2)O1	ZINC001130811953	940206659	/nfs/dbraw/zinc/20/66/59/940206659.db2.gz	UAIIUGBMDYTZRG-XJKSGUPXSA-N	1	0	371.416	1.625	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCc3ccccc3)n2)O1	ZINC001130816097	940217617	/nfs/dbraw/zinc/21/76/17/940217617.db2.gz	KQQKLKPUZDNUNZ-DLBZAZTESA-N	1	0	367.453	1.497	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cccc(OC)c3)n2)O1	ZINC001130817164	940221011	/nfs/dbraw/zinc/22/10/11/940221011.db2.gz	CQQJVQVLNQOHHD-JKSUJKDBSA-N	1	0	371.441	1.739	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H](C)C3CC3)n2)O1	ZINC001130820282	940227941	/nfs/dbraw/zinc/22/79/41/940227941.db2.gz	RGBBFOMUVVPZCK-CWRNSKLLSA-N	1	0	359.474	1.690	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H]3CCCOC3)n2)O1	ZINC001130820585	940228399	/nfs/dbraw/zinc/22/83/99/940228399.db2.gz	ZFHJEXQCIBYMLI-QLFBSQMISA-N	1	0	363.462	1.233	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)/C=C/c2ccco2)C[C@H]1c1cncn1C	ZINC001130895670	940293320	/nfs/dbraw/zinc/29/33/20/940293320.db2.gz	HORSULWSRWZSEP-HNGSOEQISA-N	1	0	368.437	1.260	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(C)n(C)n2)C[C@H]1c1cncn1C	ZINC001130922780	940320493	/nfs/dbraw/zinc/32/04/93/940320493.db2.gz	UWPGCPGJCWFLAD-NVXWUHKLSA-N	1	0	356.474	1.626	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOCC)C1	ZINC001130929034	940338079	/nfs/dbraw/zinc/33/80/79/940338079.db2.gz	KOVGHAGTNJGISC-BRWVUGGUSA-N	1	0	364.490	1.322	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2nnc[nH]2)C[C@H]1c1cncn1C	ZINC001130957286	940362492	/nfs/dbraw/zinc/36/24/92/940362492.db2.gz	QFUITOPJSJJZHD-ARFHVFGLSA-N	1	0	371.489	1.410	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C=C2CCC2)C[C@H]1c1cncn1C	ZINC001130959094	940364947	/nfs/dbraw/zinc/36/49/47/940364947.db2.gz	GEAMCGQXQAYKDN-USXIJHARSA-N	1	0	371.485	1.105	20	30		FDEDRO
C[C@@H](F)CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1c1cncn1C	ZINC001130969147	940376847	/nfs/dbraw/zinc/37/68/47/940376847.db2.gz	RKWDHMLXMRKPIU-DAXOMENPSA-N	1	0	358.421	1.566	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOC2CCC2)C1	ZINC001130971272	940379689	/nfs/dbraw/zinc/37/96/89/940379689.db2.gz	HPCUGWFIKHBBKH-QZTJIDSGSA-N	1	0	358.486	1.677	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)Cc2ccoc2)C[C@H]1c1cncn1C	ZINC001130967277	940389961	/nfs/dbraw/zinc/38/99/61/940389961.db2.gz	TWXGOINSPQBYIH-IAGOWNOFSA-N	1	0	358.442	1.342	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@H]2CCOC2)C1	ZINC001130967183	940389964	/nfs/dbraw/zinc/38/99/64/940389964.db2.gz	PCWAZBCWGCKAFW-KZNAEPCWSA-N	1	0	358.486	1.534	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)C(C)(C)C	ZINC000807535110	940393131	/nfs/dbraw/zinc/39/31/31/940393131.db2.gz	SKROALSAKXVYTP-KRWDZBQOSA-N	1	0	356.470	1.541	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCN2S(=O)(=O)CCCC)CC1	ZINC000747401954	940395237	/nfs/dbraw/zinc/39/52/37/940395237.db2.gz	FZNDCGWQIVXFCF-KRWDZBQOSA-N	1	0	369.531	1.185	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCCOC)C1	ZINC001130983655	940398893	/nfs/dbraw/zinc/39/88/93/940398893.db2.gz	XIJDTKIRGHTVLM-MDZRGWNJSA-N	1	0	364.490	1.058	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)CC1	ZINC000747404737	940413118	/nfs/dbraw/zinc/41/31/18/940413118.db2.gz	OCUYQAIUHCPJBL-UHFFFAOYSA-N	1	0	372.860	1.597	20	30		FDEDRO
Cc1cc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2c2cncn2C)ncn1	ZINC001130991269	940413449	/nfs/dbraw/zinc/41/34/49/940413449.db2.gz	BFPMZKZZXOCZJZ-QZTJIDSGSA-N	1	0	366.469	1.262	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC(F)(F)F)C1	ZINC001130991697	940415312	/nfs/dbraw/zinc/41/53/12/940415312.db2.gz	YULJTIZZZKCTFU-ZIAGYGMSSA-N	1	0	356.392	1.916	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)CCCC3)C[C@H]1c1cncn1C	ZINC001131001681	940428214	/nfs/dbraw/zinc/42/82/14/940428214.db2.gz	IZRGBZZSEKNSTB-HZPDHXFCSA-N	1	0	366.469	1.174	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(F)(F)C2)C[C@H]1c1cncn1C	ZINC001131006166	940432652	/nfs/dbraw/zinc/43/26/52/940432652.db2.gz	OJNQPVPKNDBBEB-RRFJBIMHSA-N	1	0	350.413	1.763	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)[nH]nc2Cl)C[C@H]1c1cncn1C	ZINC001131008000	940434535	/nfs/dbraw/zinc/43/45/35/940434535.db2.gz	RDHJMICWTRIBPB-CHWSQXEVSA-N	1	0	360.849	1.326	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C3CC3)cnn2C)C[C@H]1c1cncn1C	ZINC001131010300	940441260	/nfs/dbraw/zinc/44/12/60/940441260.db2.gz	ILKQAGILEMYQAB-IAGOWNOFSA-N	1	0	366.469	1.252	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCC=C)C2)CCOCC1	ZINC001131010712	940441950	/nfs/dbraw/zinc/44/19/50/940441950.db2.gz	ZXCWCZTYMYIHDW-QZTJIDSGSA-N	1	0	370.497	1.700	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2cncnc2)C[C@H]1c1cncn1C	ZINC001131031151	940451031	/nfs/dbraw/zinc/45/10/31/940451031.db2.gz	JKMIMUIRRJSXOI-QZTJIDSGSA-N	1	0	368.485	1.693	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2coc(OCC)n2)C[C@H]1c1cncn1C	ZINC001131022598	940455764	/nfs/dbraw/zinc/45/57/64/940455764.db2.gz	BPCXESWTCYRZFB-ZIAGYGMSSA-N	1	0	359.430	1.581	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCF)C1	ZINC001131040131	940468136	/nfs/dbraw/zinc/46/81/36/940468136.db2.gz	NJYCTCUFMMMZGS-IIDMSEBBSA-N	1	0	352.454	1.502	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cc(C)co2)C[C@H]1c1cncn1C	ZINC001131048625	940477017	/nfs/dbraw/zinc/47/70/17/940477017.db2.gz	DNIMQUYVRUIXHD-HZPDHXFCSA-N	1	0	358.442	1.722	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3nc[nH]c32)C[C@H]1c1cncn1C	ZINC001131069991	940484143	/nfs/dbraw/zinc/48/41/43/940484143.db2.gz	AJZFSEHZBSEXJF-BFYDXBDKSA-N	1	0	368.485	1.723	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(F)F)n[nH]2)C[C@H]1c1cncn1C	ZINC001131070276	940484425	/nfs/dbraw/zinc/48/44/25/940484425.db2.gz	NLGPKTPUCSCVCI-BXUZGUMPSA-N	1	0	362.384	1.302	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC(=C)C)C1	ZINC001131072177	940485095	/nfs/dbraw/zinc/48/50/95/940485095.db2.gz	LWSHFCZVJOQULO-MTNOOBJLSA-N	1	0	358.486	1.861	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)no2)C[C@H]1c1cncn1C	ZINC001131084361	940489302	/nfs/dbraw/zinc/48/93/02/940489302.db2.gz	SBJNXSAHFCAANU-GDBMZVCRSA-N	1	0	353.426	1.507	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1c1cncn1C	ZINC001131073614	940490265	/nfs/dbraw/zinc/49/02/65/940490265.db2.gz	KEPYWYWUERFVAT-VDCDIQELSA-N	1	0	374.485	1.074	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2C2CC2)C[C@H]1c1cncn1C	ZINC001131099621	940495188	/nfs/dbraw/zinc/49/51/88/940495188.db2.gz	WSOUEVNYDLTIJB-HZPDHXFCSA-N	1	0	352.442	1.242	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cn(CC)nn2)C[C@H]1c1cncn1C	ZINC001131096301	940497155	/nfs/dbraw/zinc/49/71/55/940497155.db2.gz	CJVTVPQTBXBAKU-HUUCEWRRSA-N	1	0	357.462	1.196	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCCC=C)C2)cn1	ZINC001131112389	940498811	/nfs/dbraw/zinc/49/88/11/940498811.db2.gz	ARINFGPFBCFCPJ-RTBURBONSA-N	1	0	363.465	1.960	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2csc(C)n2)C[C@H]1c1cncn1C	ZINC001131119845	940505529	/nfs/dbraw/zinc/50/55/29/940505529.db2.gz	ZNUKFIMXMONCPQ-HZPDHXFCSA-N	1	0	357.483	1.335	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COc2cccc(F)c2)C[C@H]1c1cncn1C	ZINC001131124038	940507432	/nfs/dbraw/zinc/50/74/32/940507432.db2.gz	YMYZJNCKYAODSS-QZTJIDSGSA-N	1	0	370.428	1.546	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c3ncccc23)C[C@H]1c1cncn1C	ZINC001131124036	940507441	/nfs/dbraw/zinc/50/74/41/940507441.db2.gz	YCSVLNAAPGJXSH-IAGOWNOFSA-N	1	0	362.437	1.518	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ncc3n2CCCC3)C[C@H]1c1cncn1C	ZINC001131125824	940507887	/nfs/dbraw/zinc/50/78/87/940507887.db2.gz	NKDZIZUQPHVQCM-IAGOWNOFSA-N	1	0	368.485	1.727	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]C[C@@H](C)O)C2)CCCC1	ZINC001131138495	940509306	/nfs/dbraw/zinc/50/93/06/940509306.db2.gz	FEJSJPWOCFKBON-BRWVUGGUSA-N	1	0	360.502	1.821	20	30		FDEDRO
C=C[C@H](CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1)c1ccccc1	ZINC001131127785	940509667	/nfs/dbraw/zinc/50/96/67/940509667.db2.gz	CWAJNTUSKILSNO-BHIYHBOVSA-N	1	0	368.481	1.656	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)COCCOCC)C[C@H]1c1cncn1C	ZINC001131130416	940511034	/nfs/dbraw/zinc/51/10/34/940511034.db2.gz	LOEBHFZNCQFDLU-IAGOWNOFSA-N	1	0	364.490	1.323	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCC(=O)N(CC)CC)C[C@H]1c1cncn1C	ZINC001131130608	940511253	/nfs/dbraw/zinc/51/12/53/940511253.db2.gz	VTOFTRQLKXGGFC-HZPDHXFCSA-N	1	0	361.490	1.139	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCC(=O)N3)C2)c1	ZINC001086660353	940522910	/nfs/dbraw/zinc/52/29/10/940522910.db2.gz	LPSNUMOPPJSEMZ-YSVLISHTSA-N	1	0	358.417	1.350	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc(-n3cncn3)c1)C2	ZINC001111501694	940530667	/nfs/dbraw/zinc/53/06/67/940530667.db2.gz	VHPGICRWESYFTI-ZACQAIPSSA-N	1	0	352.442	1.964	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3nccnc3N)C2)s1	ZINC001086661678	940535563	/nfs/dbraw/zinc/53/55/63/940535563.db2.gz	CQMFKDAMFSEMOJ-NWDGAFQWSA-N	1	0	356.455	1.680	20	30		FDEDRO
C#C[C@H](NC(=O)N1CCC([NH+](CCOC)CCOC)CC1)C(C)(C)C	ZINC000808316704	940537913	/nfs/dbraw/zinc/53/79/13/940537913.db2.gz	KNBKEZQBAHGZCL-KRWDZBQOSA-N	1	0	353.507	1.803	20	30		FDEDRO
CCCCCCCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000808342164	940540485	/nfs/dbraw/zinc/54/04/85/940540485.db2.gz	RMBZEGYYZIBCRR-MSOLQXFVSA-N	1	0	367.534	1.957	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(=O)NCC[N@@H+](CCCCC)CC1	ZINC001131360216	940555244	/nfs/dbraw/zinc/55/52/44/940555244.db2.gz	MXIWAQVJDBSCFN-MSOLQXFVSA-N	1	0	365.518	1.808	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)NC[C@H]2CC[C@@H](NCc3noc(C4CC4)n3)C2)c1	ZINC001086667262	940559598	/nfs/dbraw/zinc/55/95/98/940559598.db2.gz	CDKKGQVOJQTHGZ-SMDDNHRTSA-N	1	0	354.414	1.835	20	30		FDEDRO
Cn1c(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)nnc1C1CC1	ZINC001086668248	940565876	/nfs/dbraw/zinc/56/58/76/940565876.db2.gz	KPGKFOLHQJAPCF-SWLSCSKDSA-N	1	0	367.457	1.581	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCC)CC1	ZINC001131424267	940566542	/nfs/dbraw/zinc/56/65/42/940566542.db2.gz	GSAUVEOUDXVDBI-APWZRJJASA-N	1	0	351.491	1.465	20	30		FDEDRO
CCOCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CSCC#N)CC1	ZINC001131429403	940567288	/nfs/dbraw/zinc/56/72/88/940567288.db2.gz	CUTNPFPYFQOFBH-AEFFLSMTSA-N	1	0	369.531	1.655	20	30		FDEDRO
CO[C@H](C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CSCC#N)CC1	ZINC001131429683	940567436	/nfs/dbraw/zinc/56/74/36/940567436.db2.gz	QWERSSGDGPVDQU-UNEWFSDZSA-N	1	0	355.504	1.264	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCC(C)=O)CC1	ZINC001131429821	940567491	/nfs/dbraw/zinc/56/74/91/940567491.db2.gz	YUMBVDZBNFVSHF-QUCCMNQESA-N	1	0	366.502	1.934	20	30		FDEDRO
C=CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NC(C)C)CC1	ZINC001131448923	940602722	/nfs/dbraw/zinc/60/27/22/940602722.db2.gz	XNIUUFDTIKENHP-APWZRJJASA-N	1	0	351.491	1.463	20	30		FDEDRO
CCCCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)C#N)CC1	ZINC001131451028	940604006	/nfs/dbraw/zinc/60/40/06/940604006.db2.gz	DHYDPJCNFNQZRZ-KYJSFNMBSA-N	1	0	364.490	1.048	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H](C)OC)CC1	ZINC001131451524	940605442	/nfs/dbraw/zinc/60/54/42/940605442.db2.gz	OOGBYLSLKUPYBD-SUMDDJOVSA-N	1	0	352.475	1.047	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CO[C@H](C)CC)CC1	ZINC001131473088	940628008	/nfs/dbraw/zinc/62/80/08/940628008.db2.gz	MTSOIBGLZFBNBI-POAQFYNOSA-N	1	0	368.518	1.990	20	30		FDEDRO
COC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1	ZINC001131478811	940634870	/nfs/dbraw/zinc/63/48/70/940634870.db2.gz	LQNRNLCAEWWCNO-XWIAVFTESA-N	1	0	360.458	1.521	20	30		FDEDRO
CC(C)C#CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2ccnn2C)CC1	ZINC001131493542	940644304	/nfs/dbraw/zinc/64/43/04/940644304.db2.gz	HOEJCYYYVIISRB-QUCCMNQESA-N	1	0	358.486	1.565	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H](C)CC)CC1	ZINC001131498532	940648394	/nfs/dbraw/zinc/64/83/94/940648394.db2.gz	CWWAMOCTWSIKGS-VPWXQRGCSA-N	1	0	363.502	1.158	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOC(C)C)CC1	ZINC001131502821	940653226	/nfs/dbraw/zinc/65/32/26/940653226.db2.gz	LNGWAVDTJZVWBX-UHOSZYNNSA-N	1	0	366.502	1.435	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)NC(=O)CC)CC1	ZINC001131506477	940668279	/nfs/dbraw/zinc/66/82/79/940668279.db2.gz	ACBLPUJTKBSTOQ-LESCRADOSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(N)=O)CC1	ZINC001131506666	940668612	/nfs/dbraw/zinc/66/86/12/940668612.db2.gz	JLGHDNICZKDCOM-QGTPRVQTSA-N	1	0	363.502	1.614	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)NC(=O)CC)CC1	ZINC001131506598	940668625	/nfs/dbraw/zinc/66/86/25/940668625.db2.gz	GQUMECXPTAJIPP-WDYCEAGBSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=C(C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(=O)N(C)C)CC1	ZINC001131506762	940668990	/nfs/dbraw/zinc/66/89/90/940668990.db2.gz	NXHPGVLMWLIADF-SUMDDJOVSA-N	1	0	365.518	1.805	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)C3CC(F)(F)C3)C2)C1=O	ZINC001086670014	940675413	/nfs/dbraw/zinc/67/54/13/940675413.db2.gz	IGTGRLRLUIYPKO-NWANDNLSSA-N	1	0	355.429	1.693	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H]2CCN(C)C2=O)CC1	ZINC001131519054	940687644	/nfs/dbraw/zinc/68/76/44/940687644.db2.gz	CTHPQZHTIYYCDD-LMMKCTJWSA-N	1	0	363.502	1.417	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c(C)nnn2CC)CC1	ZINC001131511944	940693637	/nfs/dbraw/zinc/69/36/37/940693637.db2.gz	DWLWBOZDSBXILW-AEFFLSMTSA-N	1	0	359.474	1.229	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(OCC)no2)CC1	ZINC001131528099	940697493	/nfs/dbraw/zinc/69/74/93/940697493.db2.gz	LDLILYGNQKKAAW-QAPCUYQASA-N	1	0	361.442	1.696	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2snnc2CC)CC1	ZINC001131527922	940697616	/nfs/dbraw/zinc/69/76/16/940697616.db2.gz	FRNYCMHZOYUHLW-CVEARBPZSA-N	1	0	362.499	1.723	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2cncnc2)CC1	ZINC001131533564	940704437	/nfs/dbraw/zinc/70/44/37/940704437.db2.gz	MKERREKQPZNWOL-QUCCMNQESA-N	1	0	356.470	1.418	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2cc(C3CC3)cn2)CC1	ZINC001131522666	940705915	/nfs/dbraw/zinc/70/59/15/940705915.db2.gz	SKTOJFNAEFDXCC-CTNGQTDRSA-N	1	0	370.497	1.770	20	30		FDEDRO
CCC[C@H](OC)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC#CCOC)CC1	ZINC001131541202	940714756	/nfs/dbraw/zinc/71/47/56/940714756.db2.gz	DAOTUOBKHCSHMD-QYZOEREBSA-N	1	0	366.502	1.437	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCn2ccccc2=O)CC1	ZINC001131541424	940715820	/nfs/dbraw/zinc/71/58/20/940715820.db2.gz	NQGWXFOXOUMBQJ-NQIIRXRSSA-N	1	0	371.481	1.247	20	30		FDEDRO
C#CCCCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1	ZINC001131543705	940719588	/nfs/dbraw/zinc/71/95/88/940719588.db2.gz	PQBDXUFUMYIAGH-QUCCMNQESA-N	1	0	350.503	1.938	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)CC1	ZINC001131535617	940724831	/nfs/dbraw/zinc/72/48/31/940724831.db2.gz	IAKZQXJDTWKEMY-ZRNYENFQSA-N	1	0	360.498	1.811	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCO)CC1	ZINC001131558078	940732460	/nfs/dbraw/zinc/73/24/60/940732460.db2.gz	GPOXZAIJBFOCAP-HBFSDRIKSA-N	1	0	368.518	1.583	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NC)CC1	ZINC001131547917	940737281	/nfs/dbraw/zinc/73/72/81/940737281.db2.gz	JFUSPGTXFYDUSA-KYJSFNMBSA-N	1	0	351.491	1.320	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCc3nn[nH]c32)CC1	ZINC001131550579	940739379	/nfs/dbraw/zinc/73/93/79/940739379.db2.gz	ZHJXVPDVMSGQFO-SUMDDJOVSA-N	1	0	371.485	1.234	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H](C)COC)CC1	ZINC001131588033	940756964	/nfs/dbraw/zinc/75/69/64/940756964.db2.gz	NFKKLYGPUIXIOD-POAQFYNOSA-N	1	0	368.518	1.847	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2cnn(CC)c2)CC1	ZINC001131592919	940763936	/nfs/dbraw/zinc/76/39/36/940763936.db2.gz	CKKHHXCGXPUQEI-QUCCMNQESA-N	1	0	358.486	1.455	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCC(=O)NCCC)CC1	ZINC001131594830	940776833	/nfs/dbraw/zinc/77/68/33/940776833.db2.gz	FXABQOMAJCASRE-XLIONFOSSA-N	1	0	363.502	1.302	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+][C@@H](C)COC)CC2)nc1	ZINC001131597136	940780897	/nfs/dbraw/zinc/78/08/97/940780897.db2.gz	NNMQEKFQWGOLAN-CVAIRZPRSA-N	1	0	371.481	1.697	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn3cc[nH]c23)CC1	ZINC001131599481	940782792	/nfs/dbraw/zinc/78/27/92/940782792.db2.gz	AVTXFXQEWYATNI-SJORKVTESA-N	1	0	357.458	1.838	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn(C)c2OC)CC1	ZINC001131600124	940784021	/nfs/dbraw/zinc/78/40/21/940784021.db2.gz	YGLLXGZJACUOOG-SJORKVTESA-N	1	0	360.458	1.051	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC23CCOCC3)CC1	ZINC001131615854	940794263	/nfs/dbraw/zinc/79/42/63/940794263.db2.gz	IUXPCDBWFSNSLL-OTWHNJEPSA-N	1	0	360.498	1.812	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1C#N	ZINC000809504702	940846660	/nfs/dbraw/zinc/84/66/60/940846660.db2.gz	RDAGFGONROANDD-AWEZNQCLSA-N	1	0	372.469	1.372	20	30		FDEDRO
C#CC[C@]1(C(=O)NCCNc2cc[nH+]cc2)CCCN1C(=O)OC(C)(C)C	ZINC000809616627	940868658	/nfs/dbraw/zinc/86/86/58/940868658.db2.gz	SLLZNKIBVMXHJJ-HXUWFJFHSA-N	1	0	372.469	1.825	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@H]2c3ccccc3CC23CCOCC3)CC1	ZINC000810079823	940947480	/nfs/dbraw/zinc/94/74/80/940947480.db2.gz	QWGJYUHPKFSKHF-NRFANRHFSA-N	1	0	367.493	1.448	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C(N)=O)c3)C2)c[nH]1	ZINC001086676515	940948775	/nfs/dbraw/zinc/94/87/75/940948775.db2.gz	HKKGXADYOFFUHY-WMLDXEAASA-N	1	0	365.437	1.674	20	30		FDEDRO
CN1CCOC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001086676968	940953449	/nfs/dbraw/zinc/95/34/49/940953449.db2.gz	CMHCVHRYNKWKCL-OTWHNJEPSA-N	1	0	356.470	1.263	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C)sn3)C2)C1=O	ZINC001086683760	941062346	/nfs/dbraw/zinc/06/23/46/941062346.db2.gz	DXYMEJVLBYQNLK-ZNMIVQPWSA-N	1	0	362.499	1.727	20	30		FDEDRO
Cn1nncc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC001086688097	941077742	/nfs/dbraw/zinc/07/77/42/941077742.db2.gz	YWPLNYCTPXBQRS-SWLSCSKDSA-N	1	0	356.405	1.514	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cnnn2CC)C1	ZINC001086690235	941099126	/nfs/dbraw/zinc/09/91/26/941099126.db2.gz	AVPAOARXLMKHEL-NWDGAFQWSA-N	1	0	356.268	1.695	20	30		FDEDRO
CCn1nncc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1	ZINC001086690677	941099970	/nfs/dbraw/zinc/09/99/70/941099970.db2.gz	YCNWQAORDQGTRS-QWHCGFSZSA-N	1	0	358.471	1.919	20	30		FDEDRO
CON(C)C(=O)C1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000812869785	941290116	/nfs/dbraw/zinc/29/01/16/941290116.db2.gz	MDKQCIIXXXOTFY-QGZVFWFLSA-N	1	0	361.442	1.224	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C	ZINC000747842305	941348812	/nfs/dbraw/zinc/34/88/12/941348812.db2.gz	CDNRUOWBWWFLGC-CYBMUJFWSA-N	1	0	370.494	1.869	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCCN(c2ccc(C)cc2)C1=O	ZINC001134054383	941531080	/nfs/dbraw/zinc/53/10/80/941531080.db2.gz	HSWWZPCKIHCDHY-QRVBRYPASA-N	1	0	371.481	1.787	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)[C@@H](C)c1ccccc1	ZINC001134054309	941531108	/nfs/dbraw/zinc/53/11/08/941531108.db2.gz	FDIHRMIYGXAHDD-JQHSSLGASA-N	1	0	359.470	1.503	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCc1ccc(C)c(F)c1	ZINC001134052974	941539593	/nfs/dbraw/zinc/53/95/93/941539593.db2.gz	IOJGCFXGIRXRSJ-WBVHZDCISA-N	1	0	363.433	1.047	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)Nc1cccc(Cl)c1	ZINC001134062418	941541200	/nfs/dbraw/zinc/54/12/00/941541200.db2.gz	ZXGVWWJGXNXLQM-WQVCFCJDSA-N	1	0	365.861	1.964	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)Cc1cccc(F)c1	ZINC001134063608	941541727	/nfs/dbraw/zinc/54/17/27/941541727.db2.gz	RCWVGEXQKKCHTO-SJORKVTESA-N	1	0	363.433	1.081	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nc(C)cs2)C1	ZINC001086720797	941620030	/nfs/dbraw/zinc/62/00/30/941620030.db2.gz	OPNUYYCIFGUDJL-BBWFWOEESA-N	1	0	360.527	1.924	20	30		FDEDRO
Cn1cnc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)cc1=O	ZINC001086721163	941643180	/nfs/dbraw/zinc/64/31/80/941643180.db2.gz	JNXUIWLTMKMVIH-QWHCGFSZSA-N	1	0	371.466	1.402	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1	ZINC000747966097	941697232	/nfs/dbraw/zinc/69/72/32/941697232.db2.gz	OOYWTOUEODASKY-PZJWPPBQSA-N	1	0	370.493	1.903	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@@H](C(C)C)[NH+](CC=C)CC=C)CC1	ZINC000747979974	941726824	/nfs/dbraw/zinc/72/68/24/941726824.db2.gz	OLSTWMZNEGXEIK-IBGZPJMESA-N	1	0	374.529	1.856	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1	ZINC000747981029	941727594	/nfs/dbraw/zinc/72/75/94/941727594.db2.gz	GFKYLUPZVZBZKC-KRWDZBQOSA-N	1	0	362.518	1.812	20	30		FDEDRO
Cn1c(=O)sc2cc(C=NNC(=S)NCCC[NH+](C)C)ccc21	ZINC000814845146	941730844	/nfs/dbraw/zinc/73/08/44/941730844.db2.gz	GTYWZGPMBBQJTL-UHFFFAOYSA-N	1	0	351.501	1.350	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(CCOC)cc2)CC1	ZINC000815031654	941764529	/nfs/dbraw/zinc/76/45/29/941764529.db2.gz	ZKNRUHOYHVEKHZ-LJQANCHMSA-N	1	0	374.481	1.077	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(/C=C\C(=O)OC)cc1	ZINC000815082728	941777236	/nfs/dbraw/zinc/77/72/36/941777236.db2.gz	FGJUIQISRUWYLP-FLIBITNWSA-N	1	0	350.440	1.106	20	30		FDEDRO
CCc1ccc(C#CC(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)cc1	ZINC000815405371	941849653	/nfs/dbraw/zinc/84/96/53/941849653.db2.gz	SXLIYQBUEIJSPI-UHFFFAOYSA-N	1	0	355.482	1.613	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1nccs1	ZINC001135058160	941874271	/nfs/dbraw/zinc/87/42/71/941874271.db2.gz	IKGUCOSHDLVSMC-JSGCOSHPSA-N	1	0	352.460	1.159	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC(CC)CC	ZINC001135067572	941883519	/nfs/dbraw/zinc/88/35/19/941883519.db2.gz	BCULIBWKPGLATF-PVAVHDDUSA-N	1	0	353.507	1.757	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CCc1ccc2c(c1)OCCO2	ZINC001135142039	941927281	/nfs/dbraw/zinc/92/72/81/941927281.db2.gz	CQZXMHRMZKZODZ-LPHOPBHVSA-N	1	0	360.454	1.687	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)Cc1ccc(F)cc1	ZINC001135142502	941927823	/nfs/dbraw/zinc/92/78/23/941927823.db2.gz	XYUQPOLUHASCDH-BZSNNMDCSA-N	1	0	350.434	1.416	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCCC[C@@H]1CC	ZINC001135145677	941929099	/nfs/dbraw/zinc/92/90/99/941929099.db2.gz	PFHWOXSQJAOSJY-BQFCYCMXSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCN(CCC#N)C(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1	ZINC000815676520	941935935	/nfs/dbraw/zinc/93/59/35/941935935.db2.gz	USZZUDWLTRNYQN-UHFFFAOYSA-N	1	0	369.469	1.695	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(CC(F)(F)F)cc1	ZINC000815860806	941995745	/nfs/dbraw/zinc/99/57/45/941995745.db2.gz	AZWOTTVXUYPRLC-UHFFFAOYSA-N	1	0	355.360	1.801	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(N(C)C)c(Cl)c1	ZINC000815861650	941997041	/nfs/dbraw/zinc/99/70/41/941997041.db2.gz	SBDMWEPGTSTLKO-UHFFFAOYSA-N	1	0	350.850	1.416	20	30		FDEDRO
CCCC[C@@H](ON=C(C)C)C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1	ZINC000816609622	942275407	/nfs/dbraw/zinc/27/54/07/942275407.db2.gz	HRDFLRVMIZMKJC-DLBZAZTESA-N	1	0	366.506	1.769	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3nc(C)nn3C2)C1	ZINC001086765482	942434514	/nfs/dbraw/zinc/43/45/14/942434514.db2.gz	QKNIIZBRNKGESC-SOUVJXGZSA-N	1	0	351.882	1.776	20	30		FDEDRO
COc1nn(C)cc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001086775563	942468773	/nfs/dbraw/zinc/46/87/73/942468773.db2.gz	UULRNQMSWLZSND-WMLDXEAASA-N	1	0	367.453	1.989	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCNC2=O)C1	ZINC001086776608	942473671	/nfs/dbraw/zinc/47/36/71/942473671.db2.gz	LVXDODNLPDYIAU-USXIJHARSA-N	1	0	370.453	1.077	20	30		FDEDRO
CN1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1=O	ZINC001086781654	942484379	/nfs/dbraw/zinc/48/43/79/942484379.db2.gz	XARPQNIVVPANRT-KSZLIROESA-N	1	0	354.454	1.411	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cccnc3C)C2)C1=O	ZINC001086790465	942501336	/nfs/dbraw/zinc/50/13/36/942501336.db2.gz	PXJOPMKYDCMHNW-JZXOWHBKSA-N	1	0	356.470	1.665	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cn(C)c(=O)[nH]2)C1	ZINC001086794485	942536661	/nfs/dbraw/zinc/53/66/61/942536661.db2.gz	WFRCKLCMBBBYSS-WDEREUQCSA-N	1	0	357.252	1.522	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCCC3=O)C2)c1	ZINC001086798917	942624074	/nfs/dbraw/zinc/62/40/74/942624074.db2.gz	OQJCBEVAALEPGG-FUHWJXTLSA-N	1	0	354.454	1.173	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc(C(C)C)[nH]3)C2)c1	ZINC001086798355	942634283	/nfs/dbraw/zinc/63/42/83/942634283.db2.gz	IZZATSBDCPAANZ-DOTOQJQBSA-N	1	0	366.469	1.993	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccn(C)c(=O)c3)C2)c1	ZINC001086798552	942635329	/nfs/dbraw/zinc/63/53/29/942635329.db2.gz	SZIJVFXPEHBWAJ-QFBILLFUSA-N	1	0	364.449	1.450	20	30		FDEDRO
CN(C[C@H]1CCC[N@@H+]1C)CN1CC(=O)N(Cc2ccccc2C#N)C1=O	ZINC000817371696	942724745	/nfs/dbraw/zinc/72/47/45/942724745.db2.gz	CCPXDYCQKHNTGC-QGZVFWFLSA-N	1	0	355.442	1.306	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)ccc1F	ZINC001086804190	942768904	/nfs/dbraw/zinc/76/89/04/942768904.db2.gz	WUVKYHMBPWDTTF-XZDPQHSOSA-N	1	0	358.417	1.193	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cn(C(C)C)nn2)C1	ZINC001086806421	942804742	/nfs/dbraw/zinc/80/47/42/942804742.db2.gz	SOSYFPYVNINBHC-IDCNUPLLSA-N	1	0	361.490	1.825	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CCCC2)C1	ZINC001111556287	942833874	/nfs/dbraw/zinc/83/38/74/942833874.db2.gz	ADRVIZXJTCBQQP-PXNSSMCTSA-N	1	0	360.502	1.909	20	30		FDEDRO
CC[NH+]1CCC(N2CCCN(C(=O)COc3cccc(C#N)c3)CC2)CC1	ZINC000817659728	942868221	/nfs/dbraw/zinc/86/82/21/942868221.db2.gz	YARQBKVDVWFXHP-UHFFFAOYSA-N	1	0	370.497	1.956	20	30		FDEDRO
C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)NCC(C)(C)CC#N	ZINC000817849165	943012412	/nfs/dbraw/zinc/01/24/12/943012412.db2.gz	UZHATTAOJHBLBC-UHFFFAOYSA-N	1	0	358.486	1.675	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C[C@H](NC(C)=O)c1c(F)cccc1F	ZINC000818612329	943300779	/nfs/dbraw/zinc/30/07/79/943300779.db2.gz	WNYGBSVQVOYMBG-INIZCTEOSA-N	1	0	351.397	1.603	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2OCC)C1	ZINC000818603319	943328383	/nfs/dbraw/zinc/32/83/83/943328383.db2.gz	YATFDGBDFVTVGA-MRXNPFEDSA-N	1	0	357.454	1.510	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)cc1	ZINC000818949372	943360531	/nfs/dbraw/zinc/36/05/31/943360531.db2.gz	LFVAVKKLVQIADM-INIZCTEOSA-N	1	0	356.426	1.436	20	30		FDEDRO
C=C[C@@H]1C[C@@]1(Nc1ccc([C@@H]2CC3(C[NH2+]C3)C(=O)N2)cc1)C(=O)OCC	ZINC001170917692	943362478	/nfs/dbraw/zinc/36/24/78/943362478.db2.gz	LLUAMWZJHQFZBR-IIMJZQEZSA-N	1	0	355.438	1.757	20	30		FDEDRO
Cc1ccc(C)c(OC[C@@H](O)C[NH2+]CCNC(=O)C2N=CC=CC2=O)c1C	ZINC000819053790	943396242	/nfs/dbraw/zinc/39/62/42/943396242.db2.gz	KZHDATZVCXBPCR-RJCBAWPRSA-N	1	0	373.453	1.468	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@@H]3CCCCO3)C2)nn1	ZINC001086825232	943444240	/nfs/dbraw/zinc/44/42/40/943444240.db2.gz	YTOMIBXRRUFPMD-BBWFWOEESA-N	1	0	361.490	1.911	20	30		FDEDRO
Cc1cc(C)c(N2CC[C@@H]([NH2+]C[C@H](O)CN(C)CCC#N)C2=O)c(C)c1	ZINC000819257110	943485666	/nfs/dbraw/zinc/48/56/66/943485666.db2.gz	AONJOXKUIAGLKL-ZWKOTPCHSA-N	1	0	358.486	1.513	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)cc1	ZINC000819224135	943495105	/nfs/dbraw/zinc/49/51/05/943495105.db2.gz	XAOKFWYICOUYQV-RTBURBONSA-N	1	0	350.422	1.767	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H]([NH2+]C[C@H](O)c3ccc(F)cn3)C2=O)cc1	ZINC000819259879	943514661	/nfs/dbraw/zinc/51/46/61/943514661.db2.gz	MPRPAUKBQRRUKF-MSOLQXFVSA-N	1	0	354.385	1.516	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H]([NH2+]C[C@H](O)c3ccc(C#N)cc3)C2=O)cc1	ZINC000819260287	943514900	/nfs/dbraw/zinc/51/49/00/943514900.db2.gz	RBKCFGMXKZTTAO-UXHICEINSA-N	1	0	360.417	1.854	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnnn2CC)C1	ZINC001086826603	943544337	/nfs/dbraw/zinc/54/43/37/943544337.db2.gz	YUBNICZQOKRNTB-MVJTYMMSSA-N	1	0	361.490	1.654	20	30		FDEDRO
C=CCn1cc(C[NH2+]C[C@@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)nn1	ZINC000819382687	943565948	/nfs/dbraw/zinc/56/59/48/943565948.db2.gz	QHOXTYKBZGXIQL-MRXNPFEDSA-N	1	0	365.478	1.562	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCC[NH+]1CCC(O)CC1	ZINC000819559353	943647480	/nfs/dbraw/zinc/64/74/80/943647480.db2.gz	MKPRPKDQZLJUQC-HNNXBMFYSA-N	1	0	368.478	1.146	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccccc3OCC#N)CC2)C1=O	ZINC000820622295	944123332	/nfs/dbraw/zinc/12/33/32/944123332.db2.gz	NNPSLGXGQMEPKP-INIZCTEOSA-N	1	0	356.426	1.014	20	30		FDEDRO
CON=C(C(=O)N(CC[NH+](C)C)Cc1ccco1)c1csc(N)n1	ZINC000820756358	944183035	/nfs/dbraw/zinc/18/30/35/944183035.db2.gz	HAYFYKUMMWXTSZ-UHFFFAOYSA-N	1	0	351.432	1.259	20	30		FDEDRO
NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)/C=C/c2ccc(F)cc2)C1	ZINC001136516612	944760920	/nfs/dbraw/zinc/76/09/20/944760920.db2.gz	DEFKNQYNMQVSRA-RZIFZGNASA-N	1	0	361.417	1.112	20	30		FDEDRO
COc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)ccc1C#N	ZINC000822372183	944957185	/nfs/dbraw/zinc/95/71/85/944957185.db2.gz	DFHCIMRGHPISEK-UHFFFAOYSA-N	1	0	351.410	1.966	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1)c1ccncc1	ZINC000805813131	945459731	/nfs/dbraw/zinc/45/97/31/945459731.db2.gz	HQNJLOOYCIEZED-GOSISDBHSA-N	1	0	356.470	1.902	20	30		FDEDRO
C#C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)C1CCOCC1	ZINC000823186086	945529955	/nfs/dbraw/zinc/52/99/55/945529955.db2.gz	IMMZQRSXSGYHJP-GOSISDBHSA-N	1	0	350.507	1.082	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1O	ZINC001195725415	971155592	/nfs/dbraw/zinc/15/55/92/971155592.db2.gz	KOCFFOWNQRZIIX-RTBURBONSA-N	1	0	354.454	1.890	20	30		FDEDRO
N#C[C@H](CCc1ccccc1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC001136743430	945829632	/nfs/dbraw/zinc/82/96/32/945829632.db2.gz	RFEXSBUEYITPFE-VQTJNVASSA-N	1	0	370.497	1.282	20	30		FDEDRO
CC[NH+](CC)CC(=O)N[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H]1C	ZINC001090715631	945955348	/nfs/dbraw/zinc/95/53/48/945955348.db2.gz	QGLRSXBAGPFREA-ZYHUDNBSSA-N	1	0	355.895	1.951	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)CCC[NH+]1CCCCC1	ZINC001090718573	945960008	/nfs/dbraw/zinc/96/00/08/945960008.db2.gz	KKXSJCDXXMREFV-NVXWUHKLSA-N	1	0	356.474	1.555	20	30		FDEDRO
CC[C@H](C(=O)N[C@@H]1CN(c2snc(Cl)c2C#N)C[C@H]1C)[NH+](C)C	ZINC001090743063	946127609	/nfs/dbraw/zinc/12/76/09/946127609.db2.gz	SYNBMXAIIKJYME-YUSALJHKSA-N	1	0	355.895	1.949	20	30		FDEDRO
COc1ccc(CNC(=O)[C@H](C#N)C(=O)C2CC[NH+](C3CC3)CC2)cc1	ZINC000805857540	946252330	/nfs/dbraw/zinc/25/23/30/946252330.db2.gz	DKGDICFUBVAXAC-GOSISDBHSA-N	1	0	355.438	1.895	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CCN(C(=O)C[NH+]4CCCC4)CC3)n[nH]2)cc1	ZINC000824496780	946513791	/nfs/dbraw/zinc/51/37/91/946513791.db2.gz	PJRUHNKDDFWURS-UHFFFAOYSA-N	1	0	364.453	1.693	20	30		FDEDRO
C#CCN(C(=O)[C@H](C)CC)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1	ZINC001573281591	946676907	/nfs/dbraw/zinc/67/69/07/946676907.db2.gz	ABYOIMDVOBFKOA-CQSZACIVSA-N	1	0	367.457	1.738	20	30		FDEDRO
C#CCN(C(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CC[NH+](CC[C@H](C)F)CC1	ZINC001573281618	946677798	/nfs/dbraw/zinc/67/77/98/946677798.db2.gz	AKBBQWKKIGIXCZ-ZDUSSCGKSA-N	1	0	373.436	1.483	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1	ZINC001090788464	946695978	/nfs/dbraw/zinc/69/59/78/946695978.db2.gz	SJEAXMQYDIQSPH-RHSMWYFYSA-N	1	0	370.501	1.942	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573283229	946709444	/nfs/dbraw/zinc/70/94/44/946709444.db2.gz	GGWGEVKDORKTIB-MAUKXSAKSA-N	1	0	366.469	1.997	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1	ZINC001573283555	946719247	/nfs/dbraw/zinc/71/92/47/946719247.db2.gz	VDOIBZQRPLNDRN-ZDUSSCGKSA-N	1	0	358.421	1.794	20	30		FDEDRO
C#CCCCC(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573284726	946755597	/nfs/dbraw/zinc/75/55/97/946755597.db2.gz	JXTLKABEIYDYOO-ZDUSSCGKSA-N	1	0	358.421	1.746	20	30		FDEDRO
C#CCCCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573284834	946759515	/nfs/dbraw/zinc/75/95/15/946759515.db2.gz	MVDWRZXGQGJPCL-SUMWQHHRSA-N	1	0	370.432	1.746	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CCCCNc1nc(Cl)nc2nccnc21	ZINC001171068440	946772919	/nfs/dbraw/zinc/77/29/19/946772919.db2.gz	MCCVMJDOGZVUIU-JTQLQIEISA-N	1	0	350.810	1.712	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CCCCNc1cnc(N(C)C)c(C(=O)OC)c1	ZINC001171069808	946815401	/nfs/dbraw/zinc/81/54/01/946815401.db2.gz	PEXRBVNCBJZIIS-HNNXBMFYSA-N	1	0	364.446	1.573	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CC1	ZINC001573557957	946933891	/nfs/dbraw/zinc/93/38/91/946933891.db2.gz	CXXJFLYYWIONCF-BZNIZROVSA-N	1	0	371.420	1.492	20	30		FDEDRO
C[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1	ZINC001090810932	946939436	/nfs/dbraw/zinc/93/94/36/946939436.db2.gz	JLJIUWWUNKIOOS-GHMZBOCLSA-N	1	0	367.906	1.951	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CC1	ZINC001573562361	946975886	/nfs/dbraw/zinc/97/58/86/946975886.db2.gz	TUHXYAXRNRIGOU-GWCFXTLKSA-N	1	0	359.459	1.414	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)C1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1	ZINC001573562346	946975923	/nfs/dbraw/zinc/97/59/23/946975923.db2.gz	SNVVWBQVNZMCIW-LBPRGKRZSA-N	1	0	371.420	1.588	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](CCOC[C@H]2CCCO2)CC1	ZINC001195885949	971306183	/nfs/dbraw/zinc/30/61/83/971306183.db2.gz	IBLFBKJSIKYDGW-QRVBRYPASA-N	1	0	366.502	1.698	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC001573294317	946985998	/nfs/dbraw/zinc/98/59/98/946985998.db2.gz	BJUJCYDRTCNAKX-UHFFFAOYSA-N	1	0	356.430	1.354	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573294379	946988158	/nfs/dbraw/zinc/98/81/58/946988158.db2.gz	AHZFDDXMUZTBDH-RISCZKNCSA-N	1	0	363.853	1.920	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573563951	946988181	/nfs/dbraw/zinc/98/81/81/946988181.db2.gz	DCUMQGOEQIWMIA-KPZWWZAWSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573564782	946996389	/nfs/dbraw/zinc/99/63/89/946996389.db2.gz	KSHSPNZMMMAZMS-KZULUSFZSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC([N@H+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1	ZINC001573564766	946996821	/nfs/dbraw/zinc/99/68/21/946996821.db2.gz	KJTSGNWESMNAAJ-LBPRGKRZSA-N	1	0	371.420	1.588	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1	ZINC001573294980	947004372	/nfs/dbraw/zinc/00/43/72/947004372.db2.gz	KHGBKPWUXMROOK-NSHDSACASA-N	1	0	363.853	1.778	20	30		FDEDRO
C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1	ZINC001573295260	947011862	/nfs/dbraw/zinc/01/18/62/947011862.db2.gz	NCECWZHBQCKCDT-GFCCVEGCSA-N	1	0	363.853	1.731	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC(C)([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1	ZINC001573565843	947015354	/nfs/dbraw/zinc/01/53/54/947015354.db2.gz	WPTVQFPNWKKXHV-NSHDSACASA-N	1	0	359.459	1.559	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC(C)([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1	ZINC001573565841	947015920	/nfs/dbraw/zinc/01/59/20/947015920.db2.gz	WPTVQFPNWKKXHV-LLVKDONJSA-N	1	0	359.459	1.559	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F	ZINC001573566483	947027717	/nfs/dbraw/zinc/02/77/17/947027717.db2.gz	CHLZPGQGRJJSCO-FZMZJTMJSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573566700	947029297	/nfs/dbraw/zinc/02/92/97/947029297.db2.gz	FUXABZBSOXLYMU-DOMZBBRYSA-N	1	0	371.420	1.588	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573566764	947031245	/nfs/dbraw/zinc/03/12/45/947031245.db2.gz	GTLHEZMVUPYLDN-UONOGXRCSA-N	1	0	353.430	1.355	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573567286	947041660	/nfs/dbraw/zinc/04/16/60/947041660.db2.gz	LJTUHQVKORUYNI-DZGCQCFKSA-N	1	0	353.430	1.355	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)ccc1F	ZINC000825215849	947053109	/nfs/dbraw/zinc/05/31/09/947053109.db2.gz	YSYOOLXCBYMWTN-DZGCQCFKSA-N	1	0	367.446	1.114	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573298565	947076853	/nfs/dbraw/zinc/07/68/53/947076853.db2.gz	PSBXEPFGAAKMSF-DGCLKSJQSA-N	1	0	363.853	1.826	20	30		FDEDRO
CC[NH+](CC)CCOC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21	ZINC000825256054	947092700	/nfs/dbraw/zinc/09/27/00/947092700.db2.gz	WCRRELTZKDVCKO-UHFFFAOYSA-N	1	0	353.444	1.000	20	30		FDEDRO
C[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C	ZINC001090842533	947097368	/nfs/dbraw/zinc/09/73/68/947097368.db2.gz	QSQDUDCSQYHFIK-FRFSOERESA-N	1	0	359.449	1.908	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1CC12CC[NH+](Cc1ccc(-c3nn[nH]n3)s1)CC2	ZINC001573572023	947106457	/nfs/dbraw/zinc/10/64/57/947106457.db2.gz	CXSSMFMTWBMHQR-SMDDNHRTSA-N	1	0	371.470	1.559	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CC1	ZINC001573571971	947107446	/nfs/dbraw/zinc/10/74/46/947107446.db2.gz	BZSODUDNUVMIHT-VXGBXAGGSA-N	1	0	359.459	1.559	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1	ZINC001573300522	947113581	/nfs/dbraw/zinc/11/35/81/947113581.db2.gz	YLISXPHRXVEHNR-AULYBMBSSA-N	1	0	363.853	1.826	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC(C)(C)C1	ZINC001573573489	947122038	/nfs/dbraw/zinc/12/20/38/947122038.db2.gz	OCEZPPJLMSJAPA-OLZOCXBDSA-N	1	0	368.445	1.533	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C	ZINC001573576129	947147810	/nfs/dbraw/zinc/14/78/10/947147810.db2.gz	CYQOEXVAPVRWFE-SMDDNHRTSA-N	1	0	354.418	1.142	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573306234	947169566	/nfs/dbraw/zinc/16/95/66/947169566.db2.gz	IXUCJPDJFLDKOU-KJBLDROHSA-N	1	0	355.446	1.593	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)c1ccccc1	ZINC001573577997	947178664	/nfs/dbraw/zinc/17/86/64/947178664.db2.gz	WZPWXTRUOVFFHE-WBMJQRKESA-N	1	0	362.397	1.113	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@H]1CCC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573582193	947187260	/nfs/dbraw/zinc/18/72/60/947187260.db2.gz	BTMHYZRMHFNWFI-QWHCGFSZSA-N	1	0	371.420	1.494	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573309205	947193270	/nfs/dbraw/zinc/19/32/70/947193270.db2.gz	FAQZXLCPHFPYQX-RFUYNDQBSA-N	1	0	370.457	1.178	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573582708	947194266	/nfs/dbraw/zinc/19/42/66/947194266.db2.gz	GIFHMZZRXSQBRN-DZGCQCFKSA-N	1	0	353.430	1.355	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@H]1CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573583118	947201516	/nfs/dbraw/zinc/20/15/16/947201516.db2.gz	JSMDAIKCINVXBT-VXGBXAGGSA-N	1	0	357.393	1.104	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573309724	947207944	/nfs/dbraw/zinc/20/79/44/947207944.db2.gz	NMYBLAJPPBVXRG-LPHOPBHVSA-N	1	0	370.457	1.227	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1	ZINC001573584303	947220007	/nfs/dbraw/zinc/22/00/07/947220007.db2.gz	SWGSSLLSYLQPRX-DZGCQCFKSA-N	1	0	353.430	1.497	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573584509	947224346	/nfs/dbraw/zinc/22/43/46/947224346.db2.gz	XBRXIUCJENXLOF-OCCSQVGLSA-N	1	0	371.420	1.494	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CC[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573310407	947224305	/nfs/dbraw/zinc/22/43/05/947224305.db2.gz	XQEIAAUJVIHHSJ-DNVCBOLYSA-N	1	0	370.457	1.132	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573585440	947258083	/nfs/dbraw/zinc/25/80/83/947258083.db2.gz	PCIDXVKVAKTGML-SLEUVZQESA-N	1	0	371.420	1.540	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1C	ZINC001573585764	947268847	/nfs/dbraw/zinc/26/88/47/947268847.db2.gz	VXSLEAABZQPYPY-UEKVPHQBSA-N	1	0	357.393	1.102	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1	ZINC001573586048	947273539	/nfs/dbraw/zinc/27/35/39/947273539.db2.gz	YHACZHPTIRROPW-HFBAOOFYSA-N	1	0	371.420	1.682	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573586188	947280259	/nfs/dbraw/zinc/28/02/59/947280259.db2.gz	LKDVEOXGXQZGQM-FWYOQMDTSA-N	1	0	351.414	1.248	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccccc3SCC#N)CC2)C1=O	ZINC000843886455	947379604	/nfs/dbraw/zinc/37/96/04/947379604.db2.gz	SOUKGIJKWMSJMT-INIZCTEOSA-N	1	0	372.494	1.727	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnn(CC)n2)C[C@H]1c1ccc(OC)cc1	ZINC001090870888	947415301	/nfs/dbraw/zinc/41/53/01/947415301.db2.gz	DNADXZLINDBPBS-FUHWJXTLSA-N	1	0	355.442	1.690	20	30		FDEDRO
C=CCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1	ZINC001573330178	947433029	/nfs/dbraw/zinc/43/30/29/947433029.db2.gz	VEBDFDDOKFSMGW-HNNXBMFYSA-N	1	0	370.457	1.874	20	30		FDEDRO
C=CCCCC(=O)N1C[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1	ZINC001573334826	947465022	/nfs/dbraw/zinc/46/50/22/947465022.db2.gz	SDDGNLBLBKGHGQ-CABCVRRESA-N	1	0	367.457	1.903	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(OC)ccn2)C[C@H]1c1ccc(OC)cc1	ZINC001090877072	947565017	/nfs/dbraw/zinc/56/50/17/947565017.db2.gz	IHNVXZQYHTVGAI-AZUAARDMSA-N	1	0	365.433	1.930	20	30		FDEDRO
C=CCOCC[NH2+]CC1(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCCC1	ZINC001573348766	947588477	/nfs/dbraw/zinc/58/84/77/947588477.db2.gz	VKXWHZPPVHMKMD-UHFFFAOYSA-N	1	0	359.434	1.030	20	30		FDEDRO
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C	ZINC000844034516	947630422	/nfs/dbraw/zinc/63/04/22/947630422.db2.gz	BFGYTGFIXOFHQI-CYBMUJFWSA-N	1	0	369.425	1.442	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1	ZINC001573359075	947677102	/nfs/dbraw/zinc/67/71/02/947677102.db2.gz	VNHCBAFYRANVME-WMLDXEAASA-N	1	0	367.457	1.535	20	30		FDEDRO
CC#CCCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573359263	947683425	/nfs/dbraw/zinc/68/34/25/947683425.db2.gz	XPKWBUHNWUPIPW-SHTZXODSSA-N	1	0	370.432	1.936	20	30		FDEDRO
CO[C@@H]1CN(c2snc(Cl)c2C#N)C[C@H]1NC(=O)C[N@H+](C)C(C)C	ZINC001090892171	947745547	/nfs/dbraw/zinc/74/55/47/947745547.db2.gz	CVWARNSXKYNTRN-VXGBXAGGSA-N	1	0	371.894	1.328	20	30		FDEDRO
CO[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)CCC[NH+]1CCCCC1	ZINC001090892945	947753681	/nfs/dbraw/zinc/75/36/81/947753681.db2.gz	MIVAETRFXNDARV-QZTJIDSGSA-N	1	0	371.485	1.539	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1OC	ZINC001090905274	947908180	/nfs/dbraw/zinc/90/81/80/947908180.db2.gz	QEWCPOAMXVDCNF-SJLPKXTDSA-N	1	0	362.449	1.749	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](OCC)C2)C1=O	ZINC000844407691	948060167	/nfs/dbraw/zinc/06/01/67/948060167.db2.gz	ZWPIMTYZYNZSLC-BZUAXINKSA-N	1	0	367.490	1.635	20	30		FDEDRO
CO[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C	ZINC001090949345	948085260	/nfs/dbraw/zinc/08/52/60/948085260.db2.gz	LCFDCHRJUILEKM-KZNAEPCWSA-N	1	0	371.485	1.456	20	30		FDEDRO
N#Cc1cc(S(N)(=O)=O)ccc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1	ZINC000772905463	948096302	/nfs/dbraw/zinc/09/63/02/948096302.db2.gz	YVPNIFIHZZKUGS-ACJLOTCBSA-N	1	0	360.483	1.659	20	30		FDEDRO
CN(C)C(=O)N[C@H]1COCCC12CC[NH+](Cc1ccc(C#N)cn1)CC2	ZINC001144158589	948302459	/nfs/dbraw/zinc/30/24/59/948302459.db2.gz	LZJPOYGNKUJDMW-KRWDZBQOSA-N	1	0	357.458	1.596	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](Cc2ccccc2)C(C)C)C1	ZINC001196145800	971480197	/nfs/dbraw/zinc/48/01/97/971480197.db2.gz	ONZBILVPYZKJBA-XUVXKRRUSA-N	1	0	360.498	1.865	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1	ZINC000844970693	948546111	/nfs/dbraw/zinc/54/61/11/948546111.db2.gz	RCPPWZYDFCKLGD-ZWKOTPCHSA-N	1	0	360.458	1.344	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2CN(c3ccc(C#N)c(C)n3)C[C@@H]21	ZINC001091048487	948646396	/nfs/dbraw/zinc/64/63/96/948646396.db2.gz	XBBYFEKOBAJHMP-ZWKOTPCHSA-N	1	0	371.485	1.410	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N2CCC([NH2+]C3CCOCC3)CC2)c(C#N)c1	ZINC001196172996	971519845	/nfs/dbraw/zinc/51/98/45/971519845.db2.gz	GLXWQVIYXDVIPM-UHFFFAOYSA-N	1	0	363.483	1.788	20	30		FDEDRO
CC(=O)N[C@@H](CS)C(=O)N1CCC([N@H+](C)Cc2ccc(F)cc2)CC1	ZINC001144409218	948988687	/nfs/dbraw/zinc/98/86/87/948988687.db2.gz	ILPDQLASQJBNOJ-KRWDZBQOSA-N	1	0	367.490	1.683	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1CC[C@@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573788690	949208893	/nfs/dbraw/zinc/20/88/93/949208893.db2.gz	SWTYKHDHWMTELJ-IBGZPJMESA-N	1	0	367.457	1.384	20	30		FDEDRO
C=C(C)CONC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000845596593	949690568	/nfs/dbraw/zinc/69/05/68/949690568.db2.gz	VZFZFNDDESELQO-QGZVFWFLSA-N	1	0	360.458	1.691	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCOc2ccccc2)C[C@H]1O	ZINC001196276058	971600704	/nfs/dbraw/zinc/60/07/04/971600704.db2.gz	IJLRMEXTFZSHMT-MKXGPGLRSA-N	1	0	360.454	1.208	20	30		FDEDRO
C[C@H](C#N)CN(C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)C1CC1	ZINC000845875075	950047330	/nfs/dbraw/zinc/04/73/30/950047330.db2.gz	LDNPINQIVYZPHC-UKRRQHHQSA-N	1	0	352.479	1.982	20	30		FDEDRO
CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C#CC1CC1	ZINC001574151019	950049762	/nfs/dbraw/zinc/04/97/62/950049762.db2.gz	JMKCKKNMDVTOEW-CQSZACIVSA-N	1	0	372.498	1.962	20	30		FDEDRO
C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCSC[C@@H]1C#N	ZINC000845916294	950087514	/nfs/dbraw/zinc/08/75/14/950087514.db2.gz	WXIHKNCHCHJONH-STQMWFEESA-N	1	0	356.492	1.299	20	30		FDEDRO
C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCCn2nnc(Cn3cnnc3)c2C1	ZINC001171216290	950577391	/nfs/dbraw/zinc/57/73/91/950577391.db2.gz	HKQPUEVQXMZKNX-HNNXBMFYSA-N	1	0	362.441	1.626	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)nc1	ZINC000846139221	950619983	/nfs/dbraw/zinc/61/99/83/950619983.db2.gz	XUXXLTPFNZEWEE-BBWFWOEESA-N	1	0	372.473	1.293	20	30		FDEDRO
C[C@H](C[C@H](C)NC(=O)C#CC1CC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001574520097	950711959	/nfs/dbraw/zinc/71/19/59/950711959.db2.gz	LOALBDWJKOQZGK-OLZOCXBDSA-N	1	0	370.432	1.792	20	30		FDEDRO
CC(C)[NH2+]C1CCN(C(=O)C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)CC1	ZINC000846276215	950837166	/nfs/dbraw/zinc/83/71/66/950837166.db2.gz	XGXUHXBMHKUJAB-SFHVURJKSA-N	1	0	372.469	1.039	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3cc(C)cnc23)C1	ZINC001196481511	971705613	/nfs/dbraw/zinc/70/56/13/971705613.db2.gz	BYQUWRDVXJFJEC-IAGOWNOFSA-N	1	0	357.458	1.559	20	30		FDEDRO
C[N@H+](CC(=O)N1CC[C@H]2CCN(c3ccc(C#N)nn3)[C@H]2C1)CC(C)(C)C	ZINC001091230455	951123106	/nfs/dbraw/zinc/12/31/06/951123106.db2.gz	PBTBBAWIROUZMP-RDJZCZTQSA-N	1	0	370.501	1.753	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(C#N)nn1	ZINC001091279676	951298595	/nfs/dbraw/zinc/29/85/95/951298595.db2.gz	FAHCFQLVGFGRIV-ARFHVFGLSA-N	1	0	362.453	1.867	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(C#N)nn1	ZINC001091279680	951299076	/nfs/dbraw/zinc/29/90/76/951299076.db2.gz	FAHCFQLVGFGRIV-BZUAXINKSA-N	1	0	362.453	1.867	20	30		FDEDRO
Cn1cc([C@@H](O)C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cn1	ZINC000846611972	951376447	/nfs/dbraw/zinc/37/64/47/951376447.db2.gz	MIBIRFWMFIJDIL-GOSISDBHSA-N	1	0	353.426	1.106	20	30		FDEDRO
N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCOc2ccc(Br)cc21	ZINC000846676290	951440368	/nfs/dbraw/zinc/44/03/68/951440368.db2.gz	CKHGYPZGWIBRAX-XWIASGKRSA-N	1	0	350.216	1.543	20	30		FDEDRO
CC(C)[NH+](CCNC(=O)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1)C(C)C	ZINC000846719181	951480551	/nfs/dbraw/zinc/48/05/51/951480551.db2.gz	GVNLTEHSUJHFST-SFHVURJKSA-N	1	0	374.485	1.285	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1)[NH+]1CCCCC1	ZINC000846725727	951495419	/nfs/dbraw/zinc/49/54/19/951495419.db2.gz	OGYSIEGAGYZBDH-QAPCUYQASA-N	1	0	372.469	1.041	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@H]3OCC[C@H]3CC)c2)C1	ZINC001091400597	951572273	/nfs/dbraw/zinc/57/22/73/951572273.db2.gz	LUISNHFFALFEMC-AHRSYUTCSA-N	1	0	371.481	1.989	20	30		FDEDRO
N#Cc1c(N)sc2c1CC[N@@H+](C[C@H](O)c1ccc(-c3nn[nH]n3)cc1)C2	ZINC001571037062	951617095	/nfs/dbraw/zinc/61/70/95/951617095.db2.gz	HMELQWSQXFOAJU-AWEZNQCLSA-N	1	0	367.438	1.474	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCC[C@@](O)(C[NH+]2CCN(CCC#N)CC2)C1	ZINC000846837549	951642530	/nfs/dbraw/zinc/64/25/30/951642530.db2.gz	WUBLRDYVCONVOZ-GOSISDBHSA-N	1	0	352.479	1.280	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+](C)C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)C1=O	ZINC000846893236	951680894	/nfs/dbraw/zinc/68/08/94/951680894.db2.gz	YWNKLTTXVQFFOC-DNVCBOLYSA-N	1	0	367.490	1.467	20	30		FDEDRO
N#Cc1cccnc1C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001196555040	971773432	/nfs/dbraw/zinc/77/34/32/971773432.db2.gz	TUCUEVOUDMHDHB-ZWKOTPCHSA-N	1	0	363.421	1.464	20	30		FDEDRO
C#C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)C1	ZINC000847027365	951778440	/nfs/dbraw/zinc/77/84/40/951778440.db2.gz	AODMVMGQUIVFPH-RBSFLKMASA-N	1	0	363.483	1.245	20	30		FDEDRO
C[C@]12CN(C(=O)C3=COCCO3)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001091457130	951816854	/nfs/dbraw/zinc/81/68/54/951816854.db2.gz	QKHPFAKGLZUHDL-XLIONFOSSA-N	1	0	353.422	1.727	20	30		FDEDRO
C[C@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001575101340	951857723	/nfs/dbraw/zinc/85/77/23/951857723.db2.gz	BTZDXJBCFURAKB-SNVBAGLBSA-N	1	0	370.442	1.378	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@@H+]1C[C@@H]2CN(C(=O)c3cn[nH]c3)C[C@]2(C)C1	ZINC001091511174	951907373	/nfs/dbraw/zinc/90/73/73/951907373.db2.gz	QJXDMEVLMXDHFP-XLIONFOSSA-N	1	0	365.437	1.884	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)C3CCCCC3)C[C@@]2(C)C1	ZINC001091545655	951985947	/nfs/dbraw/zinc/98/59/47/951985947.db2.gz	RSXYICMQBLBTIP-QINHECLXSA-N	1	0	360.502	1.717	20	30		FDEDRO
C[C@]12CN(C(=O)Cc3cc[nH]n3)C[C@H]1C[N@H+](Cc1cc(C#N)ccc1F)C2	ZINC001091559950	952062863	/nfs/dbraw/zinc/06/28/63/952062863.db2.gz	FVSCWHRLWBAZKH-UZLBHIALSA-N	1	0	367.428	1.943	20	30		FDEDRO
Cn1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@]3(C)C2)cc1=O	ZINC001091576149	952117180	/nfs/dbraw/zinc/11/71/80/952117180.db2.gz	JHABJXUIDCTEAB-UZLBHIALSA-N	1	0	365.437	1.179	20	30		FDEDRO
N#Cc1ccc(N[C@@H]2CC[C@H](CNC(=O)CCC[NH+]3CCCC3)C2)nn1	ZINC001091585271	952160837	/nfs/dbraw/zinc/16/08/37/952160837.db2.gz	ZJWQCZZKTNOHPP-JKSUJKDBSA-N	1	0	356.474	1.921	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001571084274	952188138	/nfs/dbraw/zinc/18/81/38/952188138.db2.gz	GGWATEFTSOAHJP-DOMZBBRYSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@]12CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]1C[N@H+](CCO[C@H]1CC1(F)F)C2	ZINC001091604940	952231161	/nfs/dbraw/zinc/23/11/61/952231161.db2.gz	QPAHHYOAICEWNM-PVUWLOKVSA-N	1	0	364.396	1.704	20	30		FDEDRO
COc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@]3(C)C2)ccn1	ZINC001091606003	952237641	/nfs/dbraw/zinc/23/76/41/952237641.db2.gz	FGMHDNXVIJMHAH-QRWLVFNGSA-N	1	0	365.437	1.884	20	30		FDEDRO
C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(C#N)n2)C1)[NH+]1CCCCCC1	ZINC001091602518	952239939	/nfs/dbraw/zinc/23/99/39/952239939.db2.gz	XRVKOKBUMKPAGT-YESZJQIVSA-N	1	0	370.501	1.731	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)NC[C@H]1CC[C@@H](Nc2nccnc2C#N)C1	ZINC001091609504	952275627	/nfs/dbraw/zinc/27/56/27/952275627.db2.gz	QATJGVYHVXWQMT-ZNMIVQPWSA-N	1	0	362.453	1.725	20	30		FDEDRO
Cc1cc(C#N)nc(N[C@@H]2CC[C@H](CNC(=O)C3([NH+](C)C)CCC3)C2)n1	ZINC001091614316	952302628	/nfs/dbraw/zinc/30/26/28/952302628.db2.gz	MREZFVRCIRGWNS-LSDHHAIUSA-N	1	0	356.474	1.838	20	30		FDEDRO
C[C@]12CN(C(=O)Cc3cncnc3)C[C@H]1C[N@H+](Cc1ccc(C#N)s1)C2	ZINC001091633897	952410318	/nfs/dbraw/zinc/41/03/18/952410318.db2.gz	OJOZENDKQCZPIK-BEFAXECRSA-N	1	0	367.478	1.933	20	30		FDEDRO
Cc1cc(C#N)nc(N[C@@H]2CC[C@H](CNC(=O)C[N@H+]3CC[C@H](C)C3)C2)n1	ZINC001091637172	952418373	/nfs/dbraw/zinc/41/83/73/952418373.db2.gz	PWBGCFQTLIQUCS-CWRNSKLLSA-N	1	0	356.474	1.695	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3OCC[C@H]3C(C)C)C2)C1	ZINC001147573264	952440391	/nfs/dbraw/zinc/44/03/91/952440391.db2.gz	ZNNZKAUQOKNIDL-IKGGRYGDSA-N	1	0	363.502	1.273	20	30		FDEDRO
Cn1nncc1C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@]2(C)C1	ZINC001091638927	952449497	/nfs/dbraw/zinc/44/94/97/952449497.db2.gz	ALBNFXWXBSUBNI-BEFAXECRSA-N	1	0	368.416	1.420	20	30		FDEDRO
CC[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(C#N)n2)C1)[NH+](CC)CC	ZINC001091639818	952452118	/nfs/dbraw/zinc/45/21/18/952452118.db2.gz	UZENNPPNTBCLMP-ARFHVFGLSA-N	1	0	358.490	1.587	20	30		FDEDRO
Cn1cnc(C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@@]3(C)C2)n1	ZINC001091648022	952491119	/nfs/dbraw/zinc/49/11/19/952491119.db2.gz	SBIADEMLTRUDDM-PXAZEXFGSA-N	1	0	356.455	1.342	20	30		FDEDRO
C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1	ZINC001091655164	952515854	/nfs/dbraw/zinc/51/58/54/952515854.db2.gz	FQYMALMAPXUZSX-KPLVRAHFSA-N	1	0	371.525	1.971	20	30		FDEDRO
C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cccc(N2CCOC2=O)c1	ZINC000772985620	952535943	/nfs/dbraw/zinc/53/59/43/952535943.db2.gz	TVGKDXQFKPHIGA-OYLHUBKDSA-N	1	0	370.409	1.820	20	30		FDEDRO
C[C@]12CN(C(=O)CO[C@H]3CCOC3)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001091667415	952554911	/nfs/dbraw/zinc/55/49/11/952554911.db2.gz	SMPVJMNPNHXDJC-DYXWJJEUSA-N	1	0	369.465	1.644	20	30		FDEDRO
C[C@@H]1CCN(C(=O)COCC[NH+](C)C)[C@H](CNc2ccc(C#N)cn2)C1	ZINC001091686809	952641667	/nfs/dbraw/zinc/64/16/67/952641667.db2.gz	PXFBEZCFNHBBFJ-WBVHZDCISA-N	1	0	359.474	1.570	20	30		FDEDRO
C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@@H]1CCCNc1ccnc(C#N)n1	ZINC001091699260	952657259	/nfs/dbraw/zinc/65/72/59/952657259.db2.gz	JRICGPONHFBOJU-BRWVUGGUSA-N	1	0	370.501	1.684	20	30		FDEDRO
C[NH+](C)CCCN1CCN(S(=O)(=O)c2cc(Cl)ccc2C#N)CC1	ZINC001196672173	971857680	/nfs/dbraw/zinc/85/76/80/971857680.db2.gz	KBBBRWIEWDTTBL-UHFFFAOYSA-N	1	0	370.906	1.470	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NC[C@H]1CC[C@@H]([NH2+][C@H](CC)C(N)=O)C1	ZINC001086849391	952755890	/nfs/dbraw/zinc/75/58/90/952755890.db2.gz	GARZNVSITGPXNF-RRFJBIMHSA-N	1	0	360.458	1.398	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)CCc3c(C)nc(=O)[nH]c3C)C[C@]2(C)C1	ZINC001091737515	952765850	/nfs/dbraw/zinc/76/58/50/952765850.db2.gz	LVXZZNMAHPZIAP-UZLBHIALSA-N	1	0	356.470	1.535	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3c(C)oc4nc[nH]c(=O)c43)C[C@]2(C)C1	ZINC001091740832	952770372	/nfs/dbraw/zinc/77/03/72/952770372.db2.gz	LJXCUSURDAYACN-YJYMSZOUSA-N	1	0	354.410	1.654	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ccns3)C[C@@]2(C)C1	ZINC001091749834	952789130	/nfs/dbraw/zinc/78/91/30/952789130.db2.gz	QPGZAQGXNHCJOO-AYBZRNKSSA-N	1	0	358.511	1.521	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCO[C@H]3c3cnn(C)c3)C[C@]2(C)C1	ZINC001091751284	952800526	/nfs/dbraw/zinc/80/05/26/952800526.db2.gz	ZXWBTAYRLVDENI-BNDYYXHWSA-N	1	0	370.497	1.691	20	30		FDEDRO
CC(C)(C(N)=O)C(=O)N1C[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@]2(C)C1	ZINC001091757651	952807772	/nfs/dbraw/zinc/80/77/72/952807772.db2.gz	PWDYFIFFOUEYBJ-UZLBHIALSA-N	1	0	354.454	1.350	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccn(CC(F)(F)F)n3)C[C@]2(C)C1	ZINC001091763341	952848864	/nfs/dbraw/zinc/84/88/64/952848864.db2.gz	DPQGIKUAKBOVBR-CJNGLKHVSA-N	1	0	354.376	1.863	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H](C)c3nncn3C)C2)nc1	ZINC001086857222	952903913	/nfs/dbraw/zinc/90/39/13/952903913.db2.gz	REQRFBMNRHMDPK-CWRNSKLLSA-N	1	0	352.442	1.441	20	30		FDEDRO
CCN1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1	ZINC001086880889	952911474	/nfs/dbraw/zinc/91/14/74/952911474.db2.gz	UNQCBXYMMAZZQE-XUVXKRRUSA-N	1	0	370.497	1.653	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C)nc3C)C2)C1=O	ZINC001086882064	952913226	/nfs/dbraw/zinc/91/32/26/952913226.db2.gz	YPSVJOQJSPYIGS-SCTDSRPQSA-N	1	0	370.497	1.973	20	30		FDEDRO
Cc1nonc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C1	ZINC001086888884	952943588	/nfs/dbraw/zinc/94/35/88/952943588.db2.gz	TTZJIGFAUIGQEI-JKSUJKDBSA-N	1	0	369.425	1.969	20	30		FDEDRO
C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)CC1	ZINC001086934388	952947504	/nfs/dbraw/zinc/94/75/04/952947504.db2.gz	OGYUAPKGEXFKMV-CADBVGFASA-N	1	0	360.498	1.764	20	30		FDEDRO
Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1cnn(C)c1	ZINC001086978673	952990963	/nfs/dbraw/zinc/99/09/63/952990963.db2.gz	JVSYMZJBOABIIN-AZUAARDMSA-N	1	0	363.465	1.621	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2cccc(C)c2=O)C[C@H]1c1cnn(C)c1	ZINC001086978931	952991757	/nfs/dbraw/zinc/99/17/57/952991757.db2.gz	YYUQFDIBPPZWKN-ZWKOTPCHSA-N	1	0	369.469	1.051	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C2(c3ccccn3)CC2)C[C@H]1c1cnn(C)c1	ZINC001086979234	952992265	/nfs/dbraw/zinc/99/22/65/952992265.db2.gz	QCULITXTWDATEI-DLBZAZTESA-N	1	0	351.454	1.617	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCCC3)C[C@H]1c1cnn(C)c1	ZINC001086983509	952997212	/nfs/dbraw/zinc/99/72/12/952997212.db2.gz	UEDFXSFTPGHGEY-PKOBYXMFSA-N	1	0	368.485	1.727	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)nn2CC)C[C@H]1c1cnn(C)c1	ZINC001086983711	952997574	/nfs/dbraw/zinc/99/75/74/952997574.db2.gz	CVOZJVLBVHKADA-FUHWJXTLSA-N	1	0	368.485	1.898	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2C2CCC2)C[C@H]1c1cnn(C)c1	ZINC001086985214	953001626	/nfs/dbraw/zinc/00/16/26/953001626.db2.gz	YUMFQDRASQJQDG-FUHWJXTLSA-N	1	0	366.469	1.252	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C)nnc2CC)C[C@H]1c1cnn(C)c1	ZINC001086985152	953001652	/nfs/dbraw/zinc/00/16/52/953001652.db2.gz	WNKHXKNZXCUMMK-FUHWJXTLSA-N	1	0	354.458	1.465	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)nc2)C[C@H]1c1cnn(C)c1	ZINC001086985411	953002289	/nfs/dbraw/zinc/00/22/89/953002289.db2.gz	ISDXOKUNVCIREP-DLBZAZTESA-N	1	0	354.458	1.265	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(C)c(OC)c2)C[C@H]1c1cnn(C)c1	ZINC001086986928	953008015	/nfs/dbraw/zinc/00/80/15/953008015.db2.gz	PYTGNLZXQRGKQJ-RBUKOAKNSA-N	1	0	366.465	1.497	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(C)noc2C2CC2)C[C@H]1c1cnn(C)c1	ZINC001086988392	953011994	/nfs/dbraw/zinc/01/19/94/953011994.db2.gz	UUERNBWSECQMSQ-JKSUJKDBSA-N	1	0	353.426	1.425	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc3ncccc32)C[C@H]1c1cnn(C)c1	ZINC001086989967	953016039	/nfs/dbraw/zinc/01/60/39/953016039.db2.gz	BREOLAJBIVFLOB-AZUAARDMSA-N	1	0	359.433	1.799	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2OCCc3ccccc32)C[C@H]1c1cnn(C)c1	ZINC001086990130	953016606	/nfs/dbraw/zinc/01/66/06/953016606.db2.gz	LMJYCLMLERTMME-ZCNNSNEGSA-N	1	0	366.465	1.804	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)[C@H](C)CO3)C[C@H]1c1cnn(C)c1	ZINC001086992750	953024691	/nfs/dbraw/zinc/02/46/91/953024691.db2.gz	NWSJVEJGGDBNAX-MDASCCDHSA-N	1	0	364.449	1.747	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3cnn(C)c3C2)C[C@H]1c1cnn(C)c1	ZINC001086993510	953026956	/nfs/dbraw/zinc/02/69/56/953026956.db2.gz	DESYCZSWNLQLID-JCGIZDLHSA-N	1	0	368.485	1.029	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nc(C)ncc2Cl)C1	ZINC001196691841	971890322	/nfs/dbraw/zinc/89/03/22/971890322.db2.gz	LEODJJFUVBSWLO-HUUCEWRRSA-N	1	0	352.866	1.960	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2nn3c(c2C)OCCC3)C[C@H]1c1cnn(C)c1	ZINC001086981588	953033647	/nfs/dbraw/zinc/03/36/47/953033647.db2.gz	RDTFLXDCSGCHJT-JKSUJKDBSA-N	1	0	370.457	1.091	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn(C(C)(C)C)nn2)C[C@H]1c1cnn(C)c1	ZINC001086982203	953034903	/nfs/dbraw/zinc/03/49/03/953034903.db2.gz	YJVCCCGSRBSBOH-LSDHHAIUSA-N	1	0	357.462	1.150	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3nc[nH]c32)C[C@H]1c1cnn(C)c1	ZINC001086995904	953035803	/nfs/dbraw/zinc/03/58/03/953035803.db2.gz	CINWORLHTNECLC-HLLBOEOZSA-N	1	0	354.458	1.333	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc3c2OCC3)C[C@H]1c1cnn(C)c1	ZINC001086998131	953042667	/nfs/dbraw/zinc/04/26/67/953042667.db2.gz	VNKIAPADPHFBKD-ZWKOTPCHSA-N	1	0	350.422	1.186	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cnn(CCC)c2)C[C@H]1c1cnn(C)c1	ZINC001086999773	953047646	/nfs/dbraw/zinc/04/76/46/953047646.db2.gz	UZZBWJPYXBHOKA-ZWKOTPCHSA-N	1	0	356.474	1.801	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2cccnc2)C[C@H]1c1cnn(C)c1	ZINC001087000663	953050977	/nfs/dbraw/zinc/05/09/77/953050977.db2.gz	IBMJGTGGJKQRQC-ZYSHUDEJSA-N	1	0	351.454	1.526	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)c2c(C)noc2C)C[C@H]1c1cnn(C)c1	ZINC001087002425	953057908	/nfs/dbraw/zinc/05/79/08/953057908.db2.gz	YXABRMIAKVQEFM-OKZBNKHCSA-N	1	0	369.469	1.736	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc3ncccn3n2)C[C@H]1c1cnn(C)c1	ZINC001087003251	953059337	/nfs/dbraw/zinc/05/93/37/953059337.db2.gz	MSJGHVBSTPDBJM-DOTOQJQBSA-N	1	0	365.441	1.237	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)nc2OCC)C[C@H]1c1cnn(C)c1	ZINC001087003524	953059820	/nfs/dbraw/zinc/05/98/20/953059820.db2.gz	AVGFEIFGTFYDRN-ZWKOTPCHSA-N	1	0	367.453	1.353	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3scnc3c2)C[C@H]1c1cnn(C)c1	ZINC001087004154	953061345	/nfs/dbraw/zinc/06/13/45/953061345.db2.gz	JDIITDINZWUNIK-DOTOQJQBSA-N	1	0	365.462	1.861	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccnc(OC(C)C)c2)C[C@H]1c1cnn(C)c1	ZINC001087005602	953065392	/nfs/dbraw/zinc/06/53/92/953065392.db2.gz	LGPSPXJYBCKCEC-ZWKOTPCHSA-N	1	0	369.469	1.986	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3ccco3)C[C@H]2OCC)C1=O	ZINC001087019167	953079474	/nfs/dbraw/zinc/07/94/74/953079474.db2.gz	MTKWYIGSZDPYPI-HLLBOEOZSA-N	1	0	361.442	1.133	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(OCC)cc2)C[C@H]1c1cnn(C)c1	ZINC001087007916	953094331	/nfs/dbraw/zinc/09/43/31/953094331.db2.gz	BYRCWUXVOCZPFM-VQTJNVASSA-N	1	0	366.465	1.579	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@H]1c1cnn(C)c1	ZINC001087008238	953095496	/nfs/dbraw/zinc/09/54/96/953095496.db2.gz	UNZIPEHVDGXXMF-RBUKOAKNSA-N	1	0	350.466	1.915	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccc(NC(N)=O)c2)C[C@H]1c1cnn(C)c1	ZINC001087009031	953096656	/nfs/dbraw/zinc/09/66/56/953096656.db2.gz	LDEMUFDAVHGXAP-DLBZAZTESA-N	1	0	368.441	1.295	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2ccc(C)nc2)C[C@H]1c1cnn(C)c1	ZINC001087009449	953097979	/nfs/dbraw/zinc/09/79/79/953097979.db2.gz	HCCIWJYNLUSGRI-RBUKOAKNSA-N	1	0	353.470	1.826	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](Cc2ccccc2)OC)C[C@H]1c1cnn(C)c1	ZINC001087009997	953100075	/nfs/dbraw/zinc/10/00/75/953100075.db2.gz	HKHCLYFRWNDNIJ-ZCNNSNEGSA-N	1	0	368.481	1.748	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)c(F)c2)C[C@H]1c1cnn(C)c1	ZINC001087011374	953103940	/nfs/dbraw/zinc/10/39/40/953103940.db2.gz	TVGJEOWOJSOJJA-FUHWJXTLSA-N	1	0	369.444	1.456	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087032860	953132568	/nfs/dbraw/zinc/13/25/68/953132568.db2.gz	AYNUWJGFGCPRCF-IPMKNSEASA-N	1	0	357.454	1.548	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H]2CCCOC2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087033176	953133517	/nfs/dbraw/zinc/13/35/17/953133517.db2.gz	KROJXGKEXJGSMC-VAMGGRTRSA-N	1	0	371.481	1.938	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3ccoc3)C[C@H]2OCC)C1=O	ZINC001087025275	953142761	/nfs/dbraw/zinc/14/27/61/953142761.db2.gz	PDJWKBWYVLFHFM-BRWVUGGUSA-N	1	0	361.442	1.133	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1ccc2c(c1)nnn2C	ZINC001087035438	953145331	/nfs/dbraw/zinc/14/53/31/953145331.db2.gz	AJMIHYBLQMXORM-DDUZABMNSA-N	1	0	370.457	1.081	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1nnc(C(C)C)n1C	ZINC001087036129	953146720	/nfs/dbraw/zinc/14/67/20/953146720.db2.gz	ZIVZAHJSERAJNE-RRFJBIMHSA-N	1	0	362.478	1.051	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1nncs1	ZINC001087039765	953155673	/nfs/dbraw/zinc/15/56/73/953155673.db2.gz	CYKVJZBOBBPYHB-TZMCWYRMSA-N	1	0	360.443	1.005	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1cc2n(n1)CCC2	ZINC001087052578	953183442	/nfs/dbraw/zinc/18/34/42/953183442.db2.gz	BIHZEPGVDUYUOM-VQIMIIECSA-N	1	0	356.470	1.196	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1ncnn1C(C)C	ZINC001087053628	953186253	/nfs/dbraw/zinc/18/62/53/953186253.db2.gz	ZCYGGXCCKAMYRO-IAGOWNOFSA-N	1	0	359.474	1.226	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1cnc(C)cn1	ZINC001087046044	953193259	/nfs/dbraw/zinc/19/32/59/953193259.db2.gz	HJWILVUIMWHOCB-RDTXWAMCSA-N	1	0	368.441	1.252	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]Cc2ccn(C)n2)[C@H](OCC)C1	ZINC001087059652	953202020	/nfs/dbraw/zinc/20/20/20/953202020.db2.gz	OCUZTVAFZCLPOO-VQIMIIECSA-N	1	0	371.485	1.675	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2conc2C)[C@H](OCC)C1	ZINC001087085832	953247184	/nfs/dbraw/zinc/24/71/84/953247184.db2.gz	ZZHFTPVKNJHMLC-NRSFXHEJSA-N	1	0	363.458	1.527	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)C1	ZINC001196790469	971916418	/nfs/dbraw/zinc/91/64/18/971916418.db2.gz	NMQWOOLESPHUOI-BSDSXHPESA-N	1	0	364.873	1.807	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C[NH2+][C@H]3CCN(C)C3=O)[C@H](OCC)C2)CC1	ZINC001087079489	953264249	/nfs/dbraw/zinc/26/42/49/953264249.db2.gz	RYRFBROYICLUQG-FGTMMUONSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cc(C)no3)[C@H](OCC)C2)cn1	ZINC001087097496	953284816	/nfs/dbraw/zinc/28/48/16/953284816.db2.gz	SMXFXPXXKHLFBP-VQIMIIECSA-N	1	0	368.437	1.626	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)C4(C5CC5)CC4)C[C@]3(C)C2)C1=O	ZINC001091767517	953290032	/nfs/dbraw/zinc/29/00/32/953290032.db2.gz	IVGBQFZVIKZRSL-HLIPFELVSA-N	1	0	357.498	1.744	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)c3nc(OC)cc(OC)n3)C[C@]2(C)C1	ZINC001091786950	953305248	/nfs/dbraw/zinc/30/52/48/953305248.db2.gz	NNVQWUZZXTXXOX-KUHUBIRLSA-N	1	0	360.458	1.854	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)CCN1c1ccnc(C#N)n1	ZINC001091806310	953336190	/nfs/dbraw/zinc/33/61/90/953336190.db2.gz	JTOZEEQALDHFBU-QLFBSQMISA-N	1	0	362.453	1.502	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3CCC(=O)NC3)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001091809314	953341931	/nfs/dbraw/zinc/34/19/31/953341931.db2.gz	BCXCIHJKWRNAQF-JQVVWYNYSA-N	1	0	365.477	1.345	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3cn4c(n3)C[C@H](OC)CC4)C[C@]2(C)C1	ZINC001091780004	953355392	/nfs/dbraw/zinc/35/53/92/953355392.db2.gz	SHMQUUGKKOMIRB-QINHECLXSA-N	1	0	358.486	1.814	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CCN1c1cncc(C#N)n1	ZINC001091832007	953375260	/nfs/dbraw/zinc/37/52/60/953375260.db2.gz	NMJUDIWJWMVMEI-YESZJQIVSA-N	1	0	356.474	1.696	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3cnc4c(c3)NC(=O)CO4)C[C@]2(C)C1	ZINC001091824700	953493312	/nfs/dbraw/zinc/49/33/12/953493312.db2.gz	AIWSIYHWRUBDKY-KUHUBIRLSA-N	1	0	356.426	1.383	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cncc(-n4ccnn4)c3)C[C@]2(C)C1	ZINC001091883545	953519531	/nfs/dbraw/zinc/51/95/31/953519531.db2.gz	NWMVPUPYHZWWAY-APWZRJJASA-N	1	0	350.426	1.080	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)c3cn(C)nc3[C@H]3CCOC3)C[C@]2(C)C1	ZINC001091888208	953528945	/nfs/dbraw/zinc/52/89/45/953528945.db2.gz	ZPGVCJZNIQPHOB-YRNRMSPPSA-N	1	0	358.486	1.894	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CCN(c3nccnc3C#N)C[C@H]2C1	ZINC001091865531	953609839	/nfs/dbraw/zinc/60/98/39/953609839.db2.gz	MGDDIGQFHAOFIH-CABCVRRESA-N	1	0	356.474	1.363	20	30		FDEDRO
CC[C@H](C(=O)N1C[C@H]2CCN(c3cncc(C#N)n3)C[C@H]2C1)[NH+](CC)CC	ZINC001091870019	953624895	/nfs/dbraw/zinc/62/48/95/953624895.db2.gz	AFZYLYATWVOWAR-SOLBZPMBSA-N	1	0	370.501	1.753	20	30		FDEDRO
CC[C@@H](C(=O)N1C[C@H]2CCN(c3ccnc(C#N)n3)C[C@H]2C1)[NH+](CC)CC	ZINC001091870385	953626008	/nfs/dbraw/zinc/62/60/08/953626008.db2.gz	PEGXAGLQMWTFNK-IKGGRYGDSA-N	1	0	370.501	1.753	20	30		FDEDRO
CC[C@@H](C(=O)N1C[C@H]2CCN(c3ccc(C#N)nn3)C[C@H]2C1)[NH+](CC)CC	ZINC001091870563	953627033	/nfs/dbraw/zinc/62/70/33/953627033.db2.gz	VQWSDIWUQCATGO-RYRKJORJSA-N	1	0	370.501	1.753	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)N1CCOCC1)C2	ZINC001110126566	953917717	/nfs/dbraw/zinc/91/77/17/953917717.db2.gz	YOUNSQGJWAWUHG-XWSJACJDSA-N	1	0	363.502	1.021	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCOCC2)C1	ZINC001196926571	971973937	/nfs/dbraw/zinc/97/39/37/971973937.db2.gz	ZIOMAXHDFJXEQT-IAGOWNOFSA-N	1	0	355.523	1.229	20	30		FDEDRO
Cc1ccc(C#N)c(N2CC[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)[C@H]2C)n1	ZINC001091973058	953960505	/nfs/dbraw/zinc/96/05/05/953960505.db2.gz	TZXIBQXTGKVQLG-KYJSFNMBSA-N	1	0	371.485	1.313	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]1C[N@H+](CC#Cc1ccc(F)cc1)C2	ZINC001092017273	954073249	/nfs/dbraw/zinc/07/32/49/954073249.db2.gz	HIRCFTSVCXWIFT-OCQZMCQHSA-N	1	0	369.440	1.079	20	30		FDEDRO
C[C@]12CN(C(=O)CCc3cn[nH]n3)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001092027867	954119265	/nfs/dbraw/zinc/11/92/65/954119265.db2.gz	ABZWLOQGIRTOEN-XLIONFOSSA-N	1	0	364.453	1.589	20	30		FDEDRO
C[C@H](COCC(=O)N[C@H]1CCN(c2ncccc2C#N)[C@@H]1C)[NH+]1CCCC1	ZINC001092051472	954141016	/nfs/dbraw/zinc/14/10/16/954141016.db2.gz	XNINXDFWFOAESA-NUJGCVRESA-N	1	0	371.485	1.538	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@H]3C[N@@H+]([C@@H](C)C(=O)NC)C[C@@]3(C)C2)cc1	ZINC001092077481	954222942	/nfs/dbraw/zinc/22/29/42/954222942.db2.gz	AEAXOUHLMMALFZ-XPIZARPCSA-N	1	0	369.465	1.227	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3C[N@H+](Cc4cncs4)C[C@@]3(C)C2)nn1	ZINC001092079147	954225713	/nfs/dbraw/zinc/22/57/13/954225713.db2.gz	JNHSUFHUAJOZFR-DYVFJYSZSA-N	1	0	358.471	1.515	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3C[N@@H+](Cc4cc(C)no4)C[C@@]3(C)C2)nn1	ZINC001092082419	954229591	/nfs/dbraw/zinc/22/95/91/954229591.db2.gz	YSNSHWPXVYMQDN-KDOFPFPSSA-N	1	0	356.430	1.355	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccnn3C3CCOCC3)C[C@]2(C)C1	ZINC001092085697	954237421	/nfs/dbraw/zinc/23/74/21/954237421.db2.gz	WDLHYXRTWJAUED-UZLBHIALSA-N	1	0	356.470	1.652	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)c3ccc(C(=O)NC)nc3)C[C@]2(C)C1	ZINC001092206989	954607710	/nfs/dbraw/zinc/60/77/10/954607710.db2.gz	XHOJNDMOQKYJPJ-UZLBHIALSA-N	1	0	356.470	1.801	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+](Cc4cnc(C)nc4)C[C@@]3(C)C2)nc1	ZINC001092211892	954620965	/nfs/dbraw/zinc/62/09/65/954620965.db2.gz	SODFEEVSBVSHCA-NQIIRXRSSA-N	1	0	361.449	1.755	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(CNC(N)=O)cc3)C[C@]2(C)C1	ZINC001092263414	954623076	/nfs/dbraw/zinc/62/30/76/954623076.db2.gz	NDDAKRHLFKAHTN-XLIONFOSSA-N	1	0	354.454	1.272	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)Cn3c4ccccc4oc3=O)C[C@]2(C)C1	ZINC001092267368	954637798	/nfs/dbraw/zinc/63/77/98/954637798.db2.gz	WQFRWZUKBDOPID-QRWLVFNGSA-N	1	0	355.438	1.951	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(Cc4coc(C)n4)C[C@@]3(C)C2)CC1	ZINC001092299551	954745231	/nfs/dbraw/zinc/74/52/31/954745231.db2.gz	AZUYBRKFDOLPEZ-NQIIRXRSSA-N	1	0	370.497	1.609	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccnc(-n4cncn4)c3)C[C@]2(C)C1	ZINC001092319853	954830232	/nfs/dbraw/zinc/83/02/32/954830232.db2.gz	VLMRBBZKSWQHKM-APWZRJJASA-N	1	0	352.442	1.632	20	30		FDEDRO
Cc1nonc1C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@]2(C)C1	ZINC001092320224	954833663	/nfs/dbraw/zinc/83/36/63/954833663.db2.gz	IAIXEPNEBBYYAE-PXAZEXFGSA-N	1	0	357.439	1.905	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H]3CN(C(=O)C[N@@H+](C)C(C)C)C[C@]3(C)C2)n1	ZINC001092292093	954891331	/nfs/dbraw/zinc/89/13/31/954891331.db2.gz	UCZMWDNNTICOTR-HNAYVOBHSA-N	1	0	356.474	1.282	20	30		FDEDRO
C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@]13CCC[C@H]1OCC3)c1nccn12	ZINC001092380980	954973527	/nfs/dbraw/zinc/97/35/27/954973527.db2.gz	NIADQKJXVSYWDQ-QINHECLXSA-N	1	0	356.470	1.990	20	30		FDEDRO
C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccnn1C)c1nccn12	ZINC001092383695	954981374	/nfs/dbraw/zinc/98/13/74/954981374.db2.gz	LILHQKBFYHQBAN-BZUAXINKSA-N	1	0	366.469	1.568	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@@H](CNC(=O)C[C@@H]3CC[N@H+](C)C3)[C@H](C)C2)n1	ZINC001092384698	954983158	/nfs/dbraw/zinc/98/31/58/954983158.db2.gz	GAZSINICKZZAHE-UWWQBHOKSA-N	1	0	355.486	1.792	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](C)C2)n1	ZINC001092389443	954989615	/nfs/dbraw/zinc/98/96/15/954989615.db2.gz	KJQBCJCMZGXMSA-UNEWFSDZSA-N	1	0	358.490	1.431	20	30		FDEDRO
CC(C)[C@@H](C(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C)[NH+]1CCCC1	ZINC001092372196	955044566	/nfs/dbraw/zinc/04/45/66/955044566.db2.gz	ACRTVXJRPZQMNP-MDZRGWNJSA-N	1	0	370.501	1.657	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)c1cnccn1	ZINC001092439110	955102421	/nfs/dbraw/zinc/10/24/21/955102421.db2.gz	XAYQFFYZLOHHJN-CZUORRHYSA-N	1	0	353.401	1.985	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C	ZINC001092411474	955138483	/nfs/dbraw/zinc/13/84/83/955138483.db2.gz	FUVKGERBMPOJQU-FMKPAKJESA-N	1	0	362.453	1.217	20	30		FDEDRO
Cc1cc(N2C[C@@H](CNC(=O)[C@@H](C3CC3)[NH+](C)C)[C@H](C)C2)c(C#N)cn1	ZINC001092415730	955147460	/nfs/dbraw/zinc/14/74/60/955147460.db2.gz	COTHPPPXDAFUQU-OMWUSAIZSA-N	1	0	355.486	1.790	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3c(C)noc3C)[C@H](C)C2)C1=O	ZINC001092456137	955168599	/nfs/dbraw/zinc/16/85/99/955168599.db2.gz	GOBZIZJZJFSSMU-DAXOMENPSA-N	1	0	360.458	1.376	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C	ZINC001092460561	955185267	/nfs/dbraw/zinc/18/52/67/955185267.db2.gz	QJBAHFYMEVJLFS-INMHGKMJSA-N	1	0	356.474	1.411	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)c1ccnn1C	ZINC001092499347	955266649	/nfs/dbraw/zinc/26/66/49/955266649.db2.gz	TVMGDPHEOSGUKS-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1	ZINC001092520118	955308518	/nfs/dbraw/zinc/30/85/18/955308518.db2.gz	QYYUCKXIIVQCLY-ZTFGCOKTSA-N	1	0	355.486	1.792	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)c1cn(C)cn1	ZINC001092545265	955375043	/nfs/dbraw/zinc/37/50/43/955375043.db2.gz	PLOIHMHLOKKGTO-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CCNC(=O)[C@H](C1CC1)[NH+](C)C	ZINC001092549884	955396365	/nfs/dbraw/zinc/39/63/65/955396365.db2.gz	CONOUJBRQTWWTI-SIIHOXLZSA-N	1	0	356.474	1.267	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC001092551136	955400989	/nfs/dbraw/zinc/40/09/89/955400989.db2.gz	KYAQPUGNKCAEEY-HZPDHXFCSA-N	1	0	371.485	1.587	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)nn1	ZINC001092551173	955401022	/nfs/dbraw/zinc/40/10/22/955401022.db2.gz	NWRWFQDDFJTPBT-CHWSQXEVSA-N	1	0	354.414	1.183	20	30		FDEDRO
COc1cc(C[N@H+]2C[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)ccn1	ZINC001092551162	955401304	/nfs/dbraw/zinc/40/13/04/955401304.db2.gz	MSRHUQPQCVSUEH-UKRRQHHQSA-N	1	0	353.426	1.788	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)cn1	ZINC001092551325	955403285	/nfs/dbraw/zinc/40/32/85/955403285.db2.gz	WVMOHQCJCZEDFE-UKRRQHHQSA-N	1	0	353.426	1.788	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC001092552431	955410033	/nfs/dbraw/zinc/41/00/33/955410033.db2.gz	YXJIZXYCBCULBS-CZUORRHYSA-N	1	0	353.426	1.083	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@@H]1COCCN1C	ZINC001092555302	955428388	/nfs/dbraw/zinc/42/83/88/955428388.db2.gz	PLWAPMKEYBRAAO-LZQZEXGQSA-N	1	0	356.470	1.073	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)[C@H]1COCCN1C	ZINC001092555347	955428412	/nfs/dbraw/zinc/42/84/12/955428412.db2.gz	PXPVQHUJGZEHFH-CKEIUWERSA-N	1	0	362.499	1.134	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC001092532541	955499159	/nfs/dbraw/zinc/49/91/59/955499159.db2.gz	ZSXWJPMISKZHOT-UKRRQHHQSA-N	1	0	357.458	1.243	20	30		FDEDRO
CCC[N@H+](C)CC(=O)NCC[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1C	ZINC001092536214	955514458	/nfs/dbraw/zinc/51/44/58/955514458.db2.gz	SFYONFFSZSZSJD-GDBMZVCRSA-N	1	0	358.490	1.577	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCC[C@@H]2CN(c3ncccc3C#N)C[C@H]2C)CC[N@@H+]1C	ZINC001092597920	955601889	/nfs/dbraw/zinc/60/18/89/955601889.db2.gz	HEWFSQWXVLDAJM-JOCBIADPSA-N	1	0	355.486	1.872	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CCNC(=O)CC[C@@H]1CCC[N@@H+]1C	ZINC001092598754	955606961	/nfs/dbraw/zinc/60/69/61/955606961.db2.gz	UZMVSNHGCPWHLO-NUJGCVRESA-N	1	0	370.501	1.801	20	30		FDEDRO
C=C(Br)CN1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1	ZINC001092610944	955667871	/nfs/dbraw/zinc/66/78/71/955667871.db2.gz	AIIXKEXBLRPAIX-WQVCFCJDSA-N	1	0	370.335	1.921	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@H]1C[C@@H](C)CC(=O)N1	ZINC001092614488	955818811	/nfs/dbraw/zinc/81/88/11/955818811.db2.gz	FAJNEPJATMYJFF-OHDICMOHSA-N	1	0	368.481	1.657	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)[C@H](C)C1	ZINC001092615151	955822292	/nfs/dbraw/zinc/82/22/92/955822292.db2.gz	AFRCSLRXJKUBIO-NCXUSEDFSA-N	1	0	354.498	1.861	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cnnn2CC)C[C@H]1C	ZINC001092617137	955829854	/nfs/dbraw/zinc/82/98/54/955829854.db2.gz	CAHZGXPPQFKLFA-AHCXZYCDSA-N	1	0	361.490	1.463	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(OC)nn2)C[C@H]1C	ZINC001092617366	955831294	/nfs/dbraw/zinc/83/12/94/955831294.db2.gz	MPSHJWZMBKRVMQ-AHCXZYCDSA-N	1	0	374.485	1.651	20	30		FDEDRO
CCc1nc(C#N)cc(NCC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)n1	ZINC001092626309	955879425	/nfs/dbraw/zinc/87/94/25/955879425.db2.gz	NTAHCNGIWJTDKV-HUUCEWRRSA-N	1	0	358.490	1.759	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1C	ZINC001092703495	956107224	/nfs/dbraw/zinc/10/72/24/956107224.db2.gz	BVJGHLYUCUIDHT-IAQYHMDHSA-N	1	0	371.416	1.932	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)NC[C@]23CCC[C@H]2N(c2ccc(C#N)nn2)CC3)C1	ZINC001092714260	956160006	/nfs/dbraw/zinc/16/00/06/956160006.db2.gz	DQWAKGOXLZCOFB-XAUMDUMWSA-N	1	0	368.485	1.555	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)NC[C@]23CCC[C@H]2N(c2ccc(C#N)nn2)CC3)C1	ZINC001092714259	956160199	/nfs/dbraw/zinc/16/01/99/956160199.db2.gz	DQWAKGOXLZCOFB-WRWLIDTKSA-N	1	0	368.485	1.555	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2nc(C)oc2C)C[C@H]1C	ZINC001092689357	956196284	/nfs/dbraw/zinc/19/62/84/956196284.db2.gz	JWJSJMBPAMZADS-BJZITVGISA-N	1	0	358.486	1.573	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1C	ZINC001092689631	956197526	/nfs/dbraw/zinc/19/75/26/956197526.db2.gz	OYQXQSXWMPSEBD-SUMDDJOVSA-N	1	0	357.502	1.010	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccn(C(C)C)n2)C[C@H]1C	ZINC001092689903	956197682	/nfs/dbraw/zinc/19/76/82/956197682.db2.gz	QYVHULQJVXFHPL-GGPKGHCWSA-N	1	0	371.529	1.746	20	30		FDEDRO
C=CCOc1ccccc1C(=O)NC[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1C	ZINC001092740039	956234847	/nfs/dbraw/zinc/23/48/47/956234847.db2.gz	HPJHLKNTXLFVDH-JFIYKMOQSA-N	1	0	371.481	1.780	20	30		FDEDRO
C=CCOc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3cnnn3C)C[C@H]2C)cc1	ZINC001092740995	956238623	/nfs/dbraw/zinc/23/86/23/956238623.db2.gz	WGWZOXVSNWGIAA-NVXWUHKLSA-N	1	0	369.469	1.878	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)c3ncccc3CC)[C@H](C)C2)C1=O	ZINC001092753543	956279601	/nfs/dbraw/zinc/27/96/01/956279601.db2.gz	PESDNBVNKJOYLN-KBAYOESNSA-N	1	0	370.497	1.729	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(Cn3ccnn3)o2)[C@H](C)C1	ZINC001092848410	956490375	/nfs/dbraw/zinc/49/03/75/956490375.db2.gz	BBOHQFUGHDJUKR-TZMCWYRMSA-N	1	0	363.849	1.970	20	30		FDEDRO
CCc1cc(C(=O)N[C@H]2CC[C@H](NC(=O)C[NH+](C)C)CC2)ccc1C#N	ZINC001197294232	972199607	/nfs/dbraw/zinc/19/96/07/972199607.db2.gz	QHZGFHOXTONRLN-IYARVYRRSA-N	1	0	356.470	1.839	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncccc1C#N	ZINC001092887643	956678932	/nfs/dbraw/zinc/67/89/32/956678932.db2.gz	GOPTVHKGWXVOKS-QZWWFDLISA-N	1	0	359.449	1.859	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@@H]1CCNC(=O)CC1	ZINC001092855687	956701245	/nfs/dbraw/zinc/70/12/45/956701245.db2.gz	RGBIKJOWHAJLIW-AYOQOUSVSA-N	1	0	368.481	1.659	20	30		FDEDRO
C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N)CC(C)(C)C	ZINC001092920611	956788056	/nfs/dbraw/zinc/78/80/56/956788056.db2.gz	MLQRSHZCMDPSSK-YCPHGPKFSA-N	1	0	356.474	1.552	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@H]2C)c1	ZINC001092952151	956884703	/nfs/dbraw/zinc/88/47/03/956884703.db2.gz	HJQHSZKMEFSUEY-DNVCBOLYSA-N	1	0	351.454	1.337	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3[nH]c(C)nc3C)[C@H](C)C2)C1=O	ZINC001092975363	956965976	/nfs/dbraw/zinc/96/59/76/956965976.db2.gz	UJRNWEZOFNGERA-DAXOMENPSA-N	1	0	359.474	1.111	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)c1ccnnc1	ZINC001093000148	957101328	/nfs/dbraw/zinc/10/13/28/957101328.db2.gz	ZDPLFLJEADENPG-CRAIPNDOSA-N	1	0	352.413	1.965	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C)cc(C#N)n1	ZINC001093026116	957170515	/nfs/dbraw/zinc/17/05/15/957170515.db2.gz	MFGKOLLFGOCISD-OAGGEKHMSA-N	1	0	356.474	1.613	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2C)cc1	ZINC001093028274	957179598	/nfs/dbraw/zinc/17/95/98/957179598.db2.gz	VUJXKXDCVKPMGD-SJLPKXTDSA-N	1	0	369.465	1.229	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccnc(OC)n2)C[C@H]1C	ZINC001093046120	957210524	/nfs/dbraw/zinc/21/05/24/957210524.db2.gz	WQGNJFMEWYJKHN-LMSBXDPUSA-N	1	0	374.485	1.651	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](CC[C@@H]3CCCCO3)C[C@H]2C)nn1	ZINC001093035030	957252753	/nfs/dbraw/zinc/25/27/53/957252753.db2.gz	KIXQTOXUJDIKLE-ZACQAIPSSA-N	1	0	361.490	1.721	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)c1ncccn1	ZINC001093071485	957326168	/nfs/dbraw/zinc/32/61/68/957326168.db2.gz	AVQXQIZEQKUWIU-NVXWUHKLSA-N	1	0	352.413	1.965	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H](CNC(=O)c3cccnn3)[C@H](C)C2)cc1C#N	ZINC001093074808	957335902	/nfs/dbraw/zinc/33/59/02/957335902.db2.gz	OZLDEELELYWJQS-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
C[N@H+](CC(=O)N[C@]12CCC[C@H]1CN(c1cncc(C#N)n1)C2)CC(C)(C)C	ZINC001093103668	957436722	/nfs/dbraw/zinc/43/67/22/957436722.db2.gz	MESQEVZTQPJBIR-YWZLYKJASA-N	1	0	370.501	1.801	20	30		FDEDRO
N#Cc1cnc(N2C[C@@H]3CCC[C@]3(NC(=O)CC[NH+]3CCCCC3)C2)cn1	ZINC001093087831	957497688	/nfs/dbraw/zinc/49/76/88/957497688.db2.gz	UZRHXJZELJZASL-JXFKEZNVSA-N	1	0	368.485	1.699	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]2C)cn1	ZINC001093143020	957640440	/nfs/dbraw/zinc/64/04/40/957640440.db2.gz	OIFZOEXJRIZNHY-CRAIPNDOSA-N	1	0	364.449	1.260	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)N2CCC[C@H]2CC)C1	ZINC001197559072	972302519	/nfs/dbraw/zinc/30/25/19/972302519.db2.gz	NURQFARHHFQGRM-BRWVUGGUSA-N	1	0	353.507	1.519	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3ccc(C)nc3)C[C@H]2C)C1=O	ZINC001093270873	957936574	/nfs/dbraw/zinc/93/65/74/957936574.db2.gz	CNOQEOOKBZPDHN-ATZDWAIDSA-N	1	0	370.497	1.865	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)C3=COCCC3)C[C@H]2C)C1=O	ZINC001093273064	957942078	/nfs/dbraw/zinc/94/20/78/957942078.db2.gz	ZVDHQWYQFZVVMK-NUJGCVRESA-N	1	0	361.486	1.542	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3c[nH]nc3C)C[C@H]2C)C1=O	ZINC001093281958	957961428	/nfs/dbraw/zinc/96/14/28/957961428.db2.gz	WSDKXQBQKFVNGR-UNEWFSDZSA-N	1	0	359.474	1.193	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3cnn(C)c3)o2)C1	ZINC001197567544	972306589	/nfs/dbraw/zinc/30/65/89/972306589.db2.gz	ROFNHHIRHBTGQQ-NUEKZKHPSA-N	1	0	358.442	1.810	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H]3CCCNC3=O)C2)cn1	ZINC001093287804	957976398	/nfs/dbraw/zinc/97/63/98/957976398.db2.gz	IMHXMNXLYINIBJ-KYJSFNMBSA-N	1	0	354.454	1.029	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(n2cc(C[NH2+]CC3CC3)nn2)C1	ZINC001093341607	958007103	/nfs/dbraw/zinc/00/71/03/958007103.db2.gz	XPTSYFCPJYTIQL-ROUUACIJSA-N	1	0	359.474	1.532	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@H]2[N@H+](CC(N)=O)CC23CCC3)CC1	ZINC001093379999	958019792	/nfs/dbraw/zinc/01/97/92/958019792.db2.gz	OLCXNWHKAVSWFV-SOLBZPMBSA-N	1	0	361.486	1.156	20	30		FDEDRO
C#CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CCO2	ZINC001093407234	958024190	/nfs/dbraw/zinc/02/41/90/958024190.db2.gz	SAHBSHADCMKJRH-AGYKMIKPSA-N	1	0	356.470	1.287	20	30		FDEDRO
COCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)[C@H]1C(C)C	ZINC001093416539	958037686	/nfs/dbraw/zinc/03/76/86/958037686.db2.gz	PNPDKPOFQFCHRD-VURPSTOHSA-N	1	0	371.481	1.671	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCn3cncn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093431863	958056414	/nfs/dbraw/zinc/05/64/14/958056414.db2.gz	XWDUJGMTAXOARO-RWQQGDIJSA-N	1	0	361.490	1.210	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)c2c[nH]c(C#N)c2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CC1CC1)C2	ZINC001093439953	958074969	/nfs/dbraw/zinc/07/49/69/958074969.db2.gz	QYXKRZADGSTPBC-FTEYMNFISA-N	1	0	356.470	1.876	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)C#CC2CC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cccnc1)C2	ZINC001093442957	958082494	/nfs/dbraw/zinc/08/24/94/958082494.db2.gz	MNXCZRLNNKQSFF-KRXUUXHPSA-N	1	0	367.493	1.961	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnnc(C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093444056	958087462	/nfs/dbraw/zinc/08/74/62/958087462.db2.gz	YQZUHSFWUSGXFL-XSYGEPLQSA-N	1	0	358.486	1.941	20	30		FDEDRO
Cc1ncc(C[NH2+][C@@H]2C[C@]3(CN(C(=O)C#CC4CC4)[C@@H]3C(C)C)C[C@H]2O)o1	ZINC001093444052	958087600	/nfs/dbraw/zinc/08/76/00/958087600.db2.gz	YOZAQUSRRDADCT-VURPSTOHSA-N	1	0	371.481	1.863	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)C#CC2CC2)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1nccn1C)C2	ZINC001093443955	958087818	/nfs/dbraw/zinc/08/78/18/958087818.db2.gz	WZKJUMYODREEGE-JYWFKMLOSA-N	1	0	370.497	1.300	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn4c3CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093448001	958104524	/nfs/dbraw/zinc/10/45/24/958104524.db2.gz	CDIQTWAVHGOCTB-DLVXIWMQSA-N	1	0	356.470	1.042	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnn3CCC)[C@H]2C(C)C)C[C@H]1O	ZINC001093448495	958108645	/nfs/dbraw/zinc/10/86/45/958108645.db2.gz	KMTHKXAPWOBQOD-PHXBYCTMSA-N	1	0	358.486	1.506	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C)nc3C3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093448652	958110537	/nfs/dbraw/zinc/11/05/37/958110537.db2.gz	KVTUCKFBHLAXAI-ZJSJBZJDSA-N	1	0	370.497	1.510	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc4[nH]ccc4c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093448775	958111830	/nfs/dbraw/zinc/11/18/30/958111830.db2.gz	CHKBSHPUGCSHRP-IKVWTGGYSA-N	1	0	366.465	1.727	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc4occc4[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093449791	958117620	/nfs/dbraw/zinc/11/76/20/958117620.db2.gz	QLABDQFHDPXMSB-ZTRFORPCSA-N	1	0	355.438	1.974	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc4n[nH]cc4c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093451585	958134288	/nfs/dbraw/zinc/13/42/88/958134288.db2.gz	VWKWTSKOKXDULI-WWNBULGVSA-N	1	0	367.453	1.171	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncnc4[nH]ccc43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452025	958136980	/nfs/dbraw/zinc/13/69/80/958136980.db2.gz	BSNLGUJPCOVZLZ-YVTWGWGSSA-N	1	0	367.453	1.122	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncc4[nH]ccc43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452136	958138182	/nfs/dbraw/zinc/13/81/82/958138182.db2.gz	DGKBODWRAMJJIP-VELGLUOQSA-N	1	0	366.465	1.776	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)c2ccc3c[nH+]cn3c2)C[C@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001093459477	958182531	/nfs/dbraw/zinc/18/25/31/958182531.db2.gz	USBYVPMEZZCMQA-MLYOOKFZSA-N	1	0	367.453	1.438	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(OCC)no3)[C@H]2C(C)C)C[C@H]1O	ZINC001093460090	958187752	/nfs/dbraw/zinc/18/77/52/958187752.db2.gz	XZNLYBUZDNVOHQ-GNSPCKGOSA-N	1	0	361.442	1.286	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CCC)C3)[C@H]2C(C)C)nn1	ZINC001093466584	958209908	/nfs/dbraw/zinc/20/99/08/958209908.db2.gz	OABPWMQWKBRUMY-KLICCBINSA-N	1	0	361.490	1.454	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nc[nH]n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093469843	958224896	/nfs/dbraw/zinc/22/48/96/958224896.db2.gz	LXDCXNFIQWNMJT-JXFSHQFZSA-N	1	0	353.854	1.137	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH]c(C)cc3=O)[C@H]2C(C)C)C[C@H]1O	ZINC001093470841	958230999	/nfs/dbraw/zinc/23/09/99/958230999.db2.gz	AEBVEXKTWRFXER-PHXBYCTMSA-N	1	0	359.470	1.449	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@@H]1C(C)C	ZINC001093471428	958234560	/nfs/dbraw/zinc/23/45/60/958234560.db2.gz	DIXYVQWEMYIIBS-KRXUUXHPSA-N	1	0	370.493	1.169	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3cnccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093472398	958239015	/nfs/dbraw/zinc/23/90/15/958239015.db2.gz	LDDFQQKEBYZCES-HNBVOPMISA-N	1	0	358.486	1.561	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3conc3COC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093472370	958239410	/nfs/dbraw/zinc/23/94/10/958239410.db2.gz	KRWWZPMQQFVITB-KLICCBINSA-N	1	0	363.458	1.587	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(Cl)no3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093472719	958240001	/nfs/dbraw/zinc/24/00/01/958240001.db2.gz	MKLVAHORYCNZLF-GADXADSLSA-N	1	0	351.834	1.541	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c4c(nn3C)CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093473957	958246225	/nfs/dbraw/zinc/24/62/25/958246225.db2.gz	QIHIOLIRZKTZBG-PLOVASNDSA-N	1	0	370.497	1.122	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccc(=O)[nH]c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093454245	958266727	/nfs/dbraw/zinc/26/67/27/958266727.db2.gz	ASFMCPUCXGGSFP-YKCBXCCJSA-N	1	0	359.470	1.482	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3csnn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093455934	958275319	/nfs/dbraw/zinc/27/53/19/958275319.db2.gz	RVEOWXHAKAUTBH-JJAZEVLHSA-N	1	0	350.488	1.694	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(CC)nnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093456093	958276307	/nfs/dbraw/zinc/27/63/07/958276307.db2.gz	VGEWJGIPNGNSTO-ANTGDGSKSA-N	1	0	370.497	1.560	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncc(OC)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093457240	958280354	/nfs/dbraw/zinc/28/03/54/958280354.db2.gz	IYANQMIHPAQVKR-NNFUDEMPSA-N	1	0	360.458	1.251	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccnc3N(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001093478272	958293484	/nfs/dbraw/zinc/29/34/84/958293484.db2.gz	CXHDNJLEDWQSGW-DCXXXQMHSA-N	1	0	370.497	1.361	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(C)c3C3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093478819	958296229	/nfs/dbraw/zinc/29/62/29/958296229.db2.gz	FPKRWOUGSIOOGE-PLOVASNDSA-N	1	0	370.497	1.510	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]2C1	ZINC000962021554	1013177354	/nfs/dbraw/zinc/17/73/54/1013177354.db2.gz	ZZKOQOBCZSSAQO-MDMSPXHWSA-N	1	0	363.502	1.081	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093670096	958458237	/nfs/dbraw/zinc/45/82/37/958458237.db2.gz	XAEFTHAWILBRDT-DNVCBOLYSA-N	1	0	351.454	1.719	20	30		FDEDRO
Cc1cnn(CC(=O)N2C[C@@H](C[NH2+]Cc3ccccc3C#N)[C@H](C)C2)c1	ZINC001093662398	958459813	/nfs/dbraw/zinc/45/98/13/958459813.db2.gz	IHAYCWZOGNJUTB-VQIMIIECSA-N	1	0	351.454	1.948	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2nncn2-c2ccccc2)[C@H](C)C1	ZINC001093677760	958529587	/nfs/dbraw/zinc/52/95/87/958529587.db2.gz	DBIRKYCMJFLBPP-ARFHVFGLSA-N	1	0	352.442	1.611	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093690749	958550138	/nfs/dbraw/zinc/55/01/38/958550138.db2.gz	DOQFNXISNXETCV-ATZDWAIDSA-N	1	0	356.470	1.073	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1ccc(CO)cc1	ZINC001093699881	958566442	/nfs/dbraw/zinc/56/64/42/958566442.db2.gz	NNHGCFYVZGLIFG-RDTXWAMCSA-N	1	0	352.438	1.877	20	30		FDEDRO
CCn1nnc(C)c1C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC001093726087	958612614	/nfs/dbraw/zinc/61/26/14/958612614.db2.gz	OZRUHQAFOPSOKY-IUODEOHRSA-N	1	0	355.446	1.304	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)/C=C/c3ccc[nH]3)C[C@H]2C)C1=O	ZINC001093736637	958643536	/nfs/dbraw/zinc/64/35/36/958643536.db2.gz	ZYFYJYMKHQUACV-FYFHTKEFSA-N	1	0	356.470	1.499	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093741247	958660643	/nfs/dbraw/zinc/66/06/43/958660643.db2.gz	NFNOXSBAFWABCL-CRAIPNDOSA-N	1	0	351.454	1.719	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H](C[NH2+]Cc3cc(F)ccc3C#N)[C@H](C)C2)o1	ZINC001093754699	958681278	/nfs/dbraw/zinc/68/12/78/958681278.db2.gz	JUXLHTGILJTDTF-MLGOLLRUSA-N	1	0	371.416	1.816	20	30		FDEDRO
CCn1ncc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)cc3)[C@H](C)C2)n1	ZINC001093756453	958691009	/nfs/dbraw/zinc/69/10/09/958691009.db2.gz	TYZILLQJWYYAPL-RHSMWYFYSA-N	1	0	352.442	1.668	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001093796386	958804575	/nfs/dbraw/zinc/80/45/75/958804575.db2.gz	MFLNVFPOQCASCX-CZUORRHYSA-N	1	0	356.405	1.173	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093804094	958837627	/nfs/dbraw/zinc/83/76/27/958837627.db2.gz	BXKHPDGZVMSYNJ-ZTFGCOKTSA-N	1	0	354.454	1.221	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093827451	958908991	/nfs/dbraw/zinc/90/89/91/958908991.db2.gz	GWTPVPNAJQPZOQ-RHSMWYFYSA-N	1	0	365.437	1.645	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ncc(C)cn2)[C@H](C)C1	ZINC001093832951	958927063	/nfs/dbraw/zinc/92/70/63/958927063.db2.gz	KMAYHEMTLZAYDX-KURKYZTESA-N	1	0	355.486	1.067	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cncc(C)c2)[C@H](C)C1	ZINC001093833008	958927392	/nfs/dbraw/zinc/92/73/92/958927392.db2.gz	MRKAUISORVKKIS-RLLQIKCJSA-N	1	0	354.498	1.672	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cnn(C)n3)[C@H](C)C2)cc1	ZINC001093869855	959053590	/nfs/dbraw/zinc/05/35/90/959053590.db2.gz	FHVGPVHATHVWTL-NVXWUHKLSA-N	1	0	369.469	1.878	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cn(C)nn3)[C@H](C)C2)cc1	ZINC001093870327	959054988	/nfs/dbraw/zinc/05/49/88/959054988.db2.gz	OQKAXYYBNBWMNK-NVXWUHKLSA-N	1	0	369.469	1.878	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3cc(C)cc(C)n3)C[C@H]2C)C1=O	ZINC001093880138	959099369	/nfs/dbraw/zinc/09/93/69/959099369.db2.gz	OIVCFBFBDAARFQ-NXHRZFHOSA-N	1	0	370.497	1.783	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN(C)C2=O)C1	ZINC001197752781	972415015	/nfs/dbraw/zinc/41/50/15/972415015.db2.gz	UVMLQOAXNPHULE-BRWVUGGUSA-N	1	0	353.507	1.377	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]C[C@@H]3CCc4ncnn43)[C@H](C)C2)cc1	ZINC001093957930	959353306	/nfs/dbraw/zinc/35/33/06/959353306.db2.gz	XTEIGYCQRISQQU-LZQZEXGQSA-N	1	0	363.465	1.745	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nc(C(C)C)no2)[C@H](C)C1	ZINC001094055025	959642980	/nfs/dbraw/zinc/64/29/80/959642980.db2.gz	CUCMHOWZIZVMIE-FPCVCCKLSA-N	1	0	362.474	1.968	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3cnc(C)s3)[C@H](C)C2)nn1	ZINC001094095468	959771871	/nfs/dbraw/zinc/77/18/71/959771871.db2.gz	RMNRPKPTCIXSEL-TZMCWYRMSA-N	1	0	360.487	1.727	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ncccn2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001094126097	959833586	/nfs/dbraw/zinc/83/35/86/959833586.db2.gz	WDDHWCXZQKJSFR-CZUORRHYSA-N	1	0	353.401	1.985	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001094135723	959867505	/nfs/dbraw/zinc/86/75/05/959867505.db2.gz	FBLLEEXKMQOBFT-CXAGYDPISA-N	1	0	365.437	1.483	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C3(C)CC(F)(F)C3)C[C@H]2C)C1=O	ZINC001094160021	959935127	/nfs/dbraw/zinc/93/51/27/959935127.db2.gz	QRBBQBYRWHINCQ-RBSFLKMASA-N	1	0	369.456	1.893	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001094173976	959974881	/nfs/dbraw/zinc/97/48/81/959974881.db2.gz	KEYOCJJITSCWBU-CRAIPNDOSA-N	1	0	364.449	1.755	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nccn3CC)[C@H](C)C2)cn1	ZINC001094174393	959977313	/nfs/dbraw/zinc/97/73/13/959977313.db2.gz	HGKMKHNIAVSMOZ-NVXWUHKLSA-N	1	0	351.454	1.777	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](C)c3nnc(C)o3)[C@H](C)C2)nc1	ZINC001094174529	959978810	/nfs/dbraw/zinc/97/88/10/959978810.db2.gz	MRCGUFDBRRHVSW-XJKCOSOUSA-N	1	0	353.426	1.813	20	30		FDEDRO
CC(=O)N1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1	ZINC001094177440	959985327	/nfs/dbraw/zinc/98/53/27/959985327.db2.gz	AZXRNDKIRGCAJO-YSGRDPCXSA-N	1	0	368.481	1.753	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]Cc2cncn2C)[C@H](C)C1	ZINC001094189816	960076832	/nfs/dbraw/zinc/07/68/32/960076832.db2.gz	NZXZLHZAGAWXSI-VQIMIIECSA-N	1	0	350.466	1.828	20	30		FDEDRO
CC(=O)N1CC[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cccc(C#N)c3)[C@H](C)C2)C1	ZINC001094192722	960082893	/nfs/dbraw/zinc/08/28/93/960082893.db2.gz	JEELDHLXJIJJLJ-UIAACRFSSA-N	1	0	368.481	1.611	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1cn(C2C[NH+](C[C@H](C)CC)C2)nn1	ZINC001094327630	960264001	/nfs/dbraw/zinc/26/40/01/960264001.db2.gz	IYMXLYTXPGIKFI-JLSDUUJJSA-N	1	0	361.490	1.778	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3ncon3)cc2)C1	ZINC001197859929	972492164	/nfs/dbraw/zinc/49/21/64/972492164.db2.gz	UDZWBKIYGKRQCV-IAOVAPTHSA-N	1	0	356.426	1.866	20	30		FDEDRO
Cn1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2ccccc2C#N)CC3)nn1	ZINC001094407456	960388101	/nfs/dbraw/zinc/38/81/01/960388101.db2.gz	PLDJLSKBHBBDFE-UYAOXDASSA-N	1	0	364.453	1.861	20	30		FDEDRO
Cn1cnc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2ccc(C#N)cc2)CC3)n1	ZINC001094407847	960389022	/nfs/dbraw/zinc/38/90/22/960389022.db2.gz	AZESROUXVSXCDR-YLJYHZDGSA-N	1	0	364.453	1.861	20	30		FDEDRO
Cn1cnc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2ccccc2C#N)CC3)n1	ZINC001094408939	960391798	/nfs/dbraw/zinc/39/17/98/960391798.db2.gz	VGMNHZJLODJPLF-YLJYHZDGSA-N	1	0	364.453	1.861	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4cc[nH]cc-4c3=O)CCC[C@@H]12	ZINC001094426091	960427309	/nfs/dbraw/zinc/42/73/09/960427309.db2.gz	KIXRXPPWQVNSLN-WIYYLYMNSA-N	1	0	364.449	1.921	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3nn4c(c3C)OCCC4)CCC[C@@H]12	ZINC001094429611	960433851	/nfs/dbraw/zinc/43/38/51/960433851.db2.gz	PGTZWCQQAAZYKY-OXQOHEQNSA-N	1	0	356.470	1.972	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCCS3(=O)=O)CCC[C@@H]12	ZINC001094433027	960443865	/nfs/dbraw/zinc/44/38/65/960443865.db2.gz	MEACLSKRLFSVBZ-LZLYRXPVSA-N	1	0	352.500	1.338	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cc(=O)[nH]c4ncn(C)c43)CCC[C@@H]12	ZINC001094433244	960444026	/nfs/dbraw/zinc/44/40/26/960444026.db2.gz	ZDIZSTRZDOMVJN-FOIQADDNSA-N	1	0	367.453	1.672	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(S(N)(=O)=O)o3)CCC[C@@H]12	ZINC001094459303	960558282	/nfs/dbraw/zinc/55/82/82/960558282.db2.gz	IACCOICJTTYCGO-RHSMWYFYSA-N	1	0	367.471	1.478	20	30		FDEDRO
O=C(NC[C@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2)[C@H]1CCNC1=O	ZINC001094487775	960576937	/nfs/dbraw/zinc/57/69/37/960576937.db2.gz	AAYXVTDGINQCDU-NNMXDRDESA-N	1	0	365.477	1.535	20	30		FDEDRO
Cn1nnc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC#Cc2ccccc2)CC3)n1	ZINC001094493407	960595386	/nfs/dbraw/zinc/59/53/86/960595386.db2.gz	RYKDDWZVLKGNKK-YLJYHZDGSA-N	1	0	364.453	1.236	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4nncn4CC3)CCC[C@@H]12	ZINC001094472014	960637916	/nfs/dbraw/zinc/63/79/16/960637916.db2.gz	XSBHAVZFEYZTOO-MBOZVWFJSA-N	1	0	355.486	1.615	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3Cc4cncn4C(=O)N3)CCC[C@@H]12	ZINC001094475547	960645778	/nfs/dbraw/zinc/64/57/78/960645778.db2.gz	DYIZWCCSAHXWNT-FRQCXROJSA-N	1	0	357.458	1.302	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4nnn(C)c4c3)CCC[C@@H]12	ZINC001094567027	960832027	/nfs/dbraw/zinc/83/20/27/960832027.db2.gz	DTPIBNVDJDKOCF-UYAOXDASSA-N	1	0	351.454	1.966	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(-n4cnnn4)c3)CCC[C@@H]12	ZINC001094576039	960859094	/nfs/dbraw/zinc/85/90/94/960859094.db2.gz	ODSSJVUTDOJRTN-IEBWSBKVSA-N	1	0	352.442	1.823	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2cncn2C)C1	ZINC001181525991	960907199	/nfs/dbraw/zinc/90/71/99/960907199.db2.gz	ZJJHKHACLWXJRC-PHXBYCTMSA-N	1	0	360.502	1.976	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C(N)=O)cn3)CCC[C@@H]12	ZINC001094587948	960916023	/nfs/dbraw/zinc/91/60/23/960916023.db2.gz	GBUKQJMZMSOUFE-CRAIPNDOSA-N	1	0	362.861	1.907	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3c(OC)ncnc3OC)CCC[C@@H]12	ZINC001094588660	960918612	/nfs/dbraw/zinc/91/86/12/960918612.db2.gz	XRVHWEPIRGCAHN-AUUYWEPGSA-N	1	0	358.442	1.492	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4[nH]c(=O)n(C)c4c3)CCC[C@@H]12	ZINC001094592235	960925358	/nfs/dbraw/zinc/92/53/58/960925358.db2.gz	KCONJTURJOIKSI-YLJYHZDGSA-N	1	0	352.438	1.887	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4nnc(C)n4C3)CCC[C@@H]12	ZINC001094584849	960948374	/nfs/dbraw/zinc/94/83/74/960948374.db2.gz	GYOBNQXPLFYMDK-SQGPQFPESA-N	1	0	355.486	1.533	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4c(c3)[nH]c(=O)n4C)CCC[C@@H]12	ZINC001094585990	960950329	/nfs/dbraw/zinc/95/03/29/960950329.db2.gz	AYVSLOKTSNGRQJ-YLJYHZDGSA-N	1	0	352.438	1.887	20	30		FDEDRO
C=C(C)CC[NH+]1CC(N2C[C@H](NC(=O)[C@]34CCC[C@H]3OCC4)CC2=O)C1	ZINC001094759969	961114608	/nfs/dbraw/zinc/11/46/08/961114608.db2.gz	CUOZTCUWXAGIOG-MDYRTPRTSA-N	1	0	361.486	1.313	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccsc1	ZINC001171516079	961212650	/nfs/dbraw/zinc/21/26/50/961212650.db2.gz	QYAJZNKZDMJPRU-BHYGNILZSA-N	1	0	361.511	1.866	20	30		FDEDRO
C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C	ZINC000773948980	961227906	/nfs/dbraw/zinc/22/79/06/961227906.db2.gz	RCVYPZMQZPQQFC-MRXNPFEDSA-N	1	0	356.470	1.556	20	30		FDEDRO
CCO[C@@H]1C[N@H+](C[C@@H](O)CC2(C#N)CC2)C[C@H]1CNC(=O)OC(C)(C)C	ZINC001171752360	961286861	/nfs/dbraw/zinc/28/68/61/961286861.db2.gz	TVHGERWSOUUMBN-OWCLPIDISA-N	1	0	367.490	1.903	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1C1CCOCC1	ZINC001171771414	961293931	/nfs/dbraw/zinc/29/39/31/961293931.db2.gz	CPVIMJYGZDZOJY-RYQLBKOJSA-N	1	0	365.518	1.616	20	30		FDEDRO
CCCCCCC[C@@H](CC)[NH2+]CC(=O)N1CCC[C@H]1C(=O)NCC(N)=O	ZINC001172356216	961642359	/nfs/dbraw/zinc/64/23/59/961642359.db2.gz	GUVCZNGKADSYRK-CVEARBPZSA-N	1	0	368.522	1.308	20	30		FDEDRO
C[C@H](CCCC#N)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1	ZINC001172493780	961685903	/nfs/dbraw/zinc/68/59/03/961685903.db2.gz	CSTYBWRHGIZUCP-SJLPKXTDSA-N	1	0	360.506	1.909	20	30		FDEDRO
C[C@@H](CCCC#N)N([C@@H]1CC[NH2+][C@H]1Cc1cnn(C)c1)S(C)(=O)=O	ZINC001172497075	961688186	/nfs/dbraw/zinc/68/81/86/961688186.db2.gz	XOCZVAIGZMKFLX-CWRNSKLLSA-N	1	0	353.492	1.037	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=O)C[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1	ZINC000774135262	961758334	/nfs/dbraw/zinc/75/83/34/961758334.db2.gz	UTIWRVBVSYSUFC-CABCVRRESA-N	1	0	350.463	1.738	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CC3(C2)CS(=O)(=O)C3)C[C@H]1C#N	ZINC001172966579	961854076	/nfs/dbraw/zinc/85/40/76/961854076.db2.gz	BESRXYPHOCZXGQ-JSGCOSHPSA-N	1	0	369.487	1.445	20	30		FDEDRO
CC(=O)N(C)[C@@H]1CC[N@@H+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1	ZINC001172990581	961854440	/nfs/dbraw/zinc/85/44/40/961854440.db2.gz	PKXKRTIJJQOKAQ-OAGGEKHMSA-N	1	0	350.463	1.831	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CCCC2)C[C@H]1C#N	ZINC001172971591	961855555	/nfs/dbraw/zinc/85/55/55/961855555.db2.gz	QVSSQRJPZMJKAD-CABCVRRESA-N	1	0	350.463	1.926	20	30		FDEDRO
CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1	ZINC001172971265	961856610	/nfs/dbraw/zinc/85/66/10/961856610.db2.gz	NRQHLPXUGQYGRU-PMPSAXMXSA-N	1	0	350.463	1.879	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@]2(C)CCC(=O)NC2=O)C[C@H]1C#N	ZINC001172982553	961866398	/nfs/dbraw/zinc/86/63/98/961866398.db2.gz	DJTNVHJZEFNSGQ-PEBVRCNWSA-N	1	0	350.419	1.063	20	30		FDEDRO
CC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1	ZINC001172984529	961868550	/nfs/dbraw/zinc/86/85/50/961868550.db2.gz	LXTAGMAPNUWSIK-OAGGEKHMSA-N	1	0	350.463	1.879	20	30		FDEDRO
N#Cc1ccccc1C[NH2+]CC1CC(NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1	ZINC000962115263	1013296201	/nfs/dbraw/zinc/29/62/01/1013296201.db2.gz	BGTFQKWTFWQGPL-LQVKNZFSSA-N	1	0	369.465	1.594	20	30		FDEDRO
C#C[C@H](NC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@H]1CCCO1	ZINC000773365552	961966158	/nfs/dbraw/zinc/96/61/58/961966158.db2.gz	VMVWYUKMDGRNLW-XUVXKRRUSA-N	1	0	370.497	1.455	20	30		FDEDRO
CS(=O)(=O)N(C1CCC(CC#N)CC1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12	ZINC001173335920	962008229	/nfs/dbraw/zinc/00/82/29/962008229.db2.gz	HLXILBCADRXIJO-VNPUNGKLSA-N	1	0	355.504	1.487	20	30		FDEDRO
C[NH+]1CCN(Cc2cn3c(n2)CN(C2CCC(CC#N)CC2)CC3)CC1	ZINC001173334314	962009252	/nfs/dbraw/zinc/00/92/52/962009252.db2.gz	WGUMPQCXEBIWSG-UHFFFAOYSA-N	1	0	356.518	1.919	20	30		FDEDRO
COC(=O)C1CC(C[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1	ZINC001173424887	962127257	/nfs/dbraw/zinc/12/72/57/962127257.db2.gz	NCZAPJXLSJPUDL-UHFFFAOYSA-N	1	0	355.438	1.952	20	30		FDEDRO
COCCn1cnc(C[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)c1	ZINC001173426521	962135967	/nfs/dbraw/zinc/13/59/67/962135967.db2.gz	BHTYRBFEUOLKFK-UHFFFAOYSA-N	1	0	367.453	1.796	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+]C3CC4(C3)CS(=O)(=O)C4)CC2)cc1	ZINC001173426314	962136530	/nfs/dbraw/zinc/13/65/30/962136530.db2.gz	UTFPDONKBSXXNQ-UHFFFAOYSA-N	1	0	373.478	1.330	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([N@@H+]3CCO[C@@H]4C[C@@H](CO)C[C@H]43)CC2)cc1	ZINC001173429600	962146026	/nfs/dbraw/zinc/14/60/26/962146026.db2.gz	ABMWZRLHVJUPJR-PWIZWCRZSA-N	1	0	369.465	1.635	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@]1(C)C[NH2+]Cc1ccc(C#N)cc1	ZINC001182624000	962334739	/nfs/dbraw/zinc/33/47/39/962334739.db2.gz	XTMIUEBFBZNPDL-PJKMLTEKSA-N	1	0	354.454	1.254	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCCCn2cncn2)C1	ZINC001182676124	962385039	/nfs/dbraw/zinc/38/50/39/962385039.db2.gz	BBURWDUZSWMLDR-KURKYZTESA-N	1	0	361.490	1.620	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H](C)c3ccc(C#N)cc3)CC[C@@H]2C1	ZINC001182791324	962521689	/nfs/dbraw/zinc/52/16/89/962521689.db2.gz	HQTCXHDTVZURMO-PWIZWCRZSA-N	1	0	371.481	1.857	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#Cc1ccc(F)cc1	ZINC001095240772	962521746	/nfs/dbraw/zinc/52/17/46/962521746.db2.gz	CQPOYCDUMRBHNC-FYQPLNBISA-N	1	0	355.457	1.993	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1	ZINC000957522192	1013367121	/nfs/dbraw/zinc/36/71/21/1013367121.db2.gz	QELVQFMWEOMWNC-AYOQOUSVSA-N	1	0	353.466	1.125	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CCC(N2CCCCS2(=O)=O)CC1	ZINC001183045397	962757902	/nfs/dbraw/zinc/75/79/02/962757902.db2.gz	YVVYKMUIBASJRO-UHFFFAOYSA-N	1	0	355.504	1.055	20	30		FDEDRO
CC[N@H+](CCCC(=O)n1nc(N)c(C#N)c1N)[C@H](C)Cc1ccc(O)cc1	ZINC001183047887	962761915	/nfs/dbraw/zinc/76/19/15/962761915.db2.gz	IELWTCZELGWMMI-CYBMUJFWSA-N	1	0	370.457	1.998	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCNC(=O)C2)C3)cc1	ZINC001095291713	962786553	/nfs/dbraw/zinc/78/65/53/962786553.db2.gz	KBPKYDTZIGTILU-MHORFTMASA-N	1	0	352.438	1.306	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CNC(=O)C2CC2)C3)cc1	ZINC001110327677	962825953	/nfs/dbraw/zinc/82/59/53/962825953.db2.gz	FXRUDBHDQKTQAO-KURKYZTESA-N	1	0	352.438	1.306	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(C(N)=O)cc1)C2	ZINC001110174178	962949618	/nfs/dbraw/zinc/94/96/18/962949618.db2.gz	PKABZDVOBMYQGH-SQNIBIBYSA-N	1	0	357.454	1.252	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC1=O	ZINC001183311181	962970739	/nfs/dbraw/zinc/97/07/39/962970739.db2.gz	VFJMOMVDWCBBLN-GJZGRUSLSA-N	1	0	365.474	1.579	20	30		FDEDRO
C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO[C@H]1CCOC1	ZINC001110181548	963078489	/nfs/dbraw/zinc/07/84/89/963078489.db2.gz	JNJZHWIGUCLEIH-OWSLCNJRSA-N	1	0	352.475	1.496	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)/C=C(\C)C1CC1)C2	ZINC001110334305	963084078	/nfs/dbraw/zinc/08/40/78/963084078.db2.gz	HEDBGDBWFFHWJR-ZBKUJJOFSA-N	1	0	374.485	1.465	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C(N)=O)cc1	ZINC001110183010	963097791	/nfs/dbraw/zinc/09/77/91/963097791.db2.gz	HPYREXNVEASWBU-ZSGPHXLJSA-N	1	0	357.454	1.598	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1nnnn1C1CC1	ZINC001175364626	963169303	/nfs/dbraw/zinc/16/93/03/963169303.db2.gz	BOEUITGXEAIOPH-BMFZPTHFSA-N	1	0	362.478	1.364	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1cncc(OC)n1	ZINC001175365441	963169543	/nfs/dbraw/zinc/16/95/43/963169543.db2.gz	LFKPPVGZWAYIEG-OIISXLGYSA-N	1	0	362.474	1.841	20	30		FDEDRO
N#C[C@H](Cc1ccc(O)cc1)C(=O)N(Cc1ccccc1)C1(C[NH3+])COC1	ZINC001183616602	963191776	/nfs/dbraw/zinc/19/17/76/963191776.db2.gz	OVWQGXNXSBAEQY-SFHVURJKSA-N	1	0	365.433	1.831	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NCC	ZINC001175630978	963243852	/nfs/dbraw/zinc/24/38/52/963243852.db2.gz	VVYJTAHXUPKKLW-BQFCYCMXSA-N	1	0	353.507	1.758	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CCN1CCNC1=O	ZINC001175663437	963259514	/nfs/dbraw/zinc/25/95/14/963259514.db2.gz	CXWCLENIRLBBSF-IKGGRYGDSA-N	1	0	366.506	1.257	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=O)N1CCCC1	ZINC001175664273	963260871	/nfs/dbraw/zinc/26/08/71/963260871.db2.gz	SLHBQQXYXRTCID-AOIWGVFYSA-N	1	0	365.518	1.855	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)[C@H]1CCCO1	ZINC000773554936	963382696	/nfs/dbraw/zinc/38/26/96/963382696.db2.gz	GBWVGEVFQRNIHD-YZYRWKSTSA-N	1	0	360.502	1.120	20	30		FDEDRO
C=CCn1cnc2c1ncnc2Nc1ccc(N2CC[NH+](C)CC2)nc1	ZINC001176654774	963519866	/nfs/dbraw/zinc/51/98/66/963519866.db2.gz	SZZOFXKQIASKFC-UHFFFAOYSA-N	1	0	350.430	1.903	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COC[C@@H]2CCCO2)C3)c1	ZINC001110201662	963704251	/nfs/dbraw/zinc/70/42/51/963704251.db2.gz	NYUWXXKBKROLDI-FYQPLNBISA-N	1	0	369.465	1.975	20	30		FDEDRO
C[N@H+](C1CN(C(=O)CN(CCC#N)C(=O)OC(C)(C)C)C1)[C@H]1CCOC1	ZINC001184856630	963740211	/nfs/dbraw/zinc/74/02/11/963740211.db2.gz	VOMCYANRUDZVOF-AWEZNQCLSA-N	1	0	366.462	1.069	20	30		FDEDRO
CO/N=C(\C(=O)N(c1ncnc2c1CC[NH2+]CC2)C(C)C)c1ccco1	ZINC001177351293	963795371	/nfs/dbraw/zinc/79/53/71/963795371.db2.gz	WRWRPHMEJAOFDL-JWGURIENSA-N	1	0	357.414	1.550	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CCC[NH2+][C@@H](CC)C(N)=O)CC1CCCC1	ZINC001177423603	963825071	/nfs/dbraw/zinc/82/50/71/963825071.db2.gz	FTVMSVNTMUZDRR-SQNIBIBYSA-N	1	0	365.518	1.840	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)cc1C#N	ZINC000774887856	963971448	/nfs/dbraw/zinc/97/14/48/963971448.db2.gz	GASCGQJDHXPTDU-UHFFFAOYSA-N	1	0	372.469	1.564	20	30		FDEDRO
O=C(C#Cc1ccccn1)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001177800756	963973809	/nfs/dbraw/zinc/97/38/09/963973809.db2.gz	IAAVSPIIOBWNQN-AZUAARDMSA-N	1	0	365.408	1.936	20	30		FDEDRO
Cc1csc(N2CCC([NH2+]CCNC(=O)C3N=CC=CC3=O)CC2)n1	ZINC001177816064	963981151	/nfs/dbraw/zinc/98/11/51/963981151.db2.gz	BGZBNMPHYYHKEA-FOCLMDBBSA-N	1	0	361.471	1.536	20	30		FDEDRO
C#CCN(C(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)C1CCCC1	ZINC000774917616	964064758	/nfs/dbraw/zinc/06/47/58/964064758.db2.gz	HBAGVPYNLSBNPW-LJQANCHMSA-N	1	0	355.482	1.680	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CCCCCC2)C1	ZINC001185749260	964066964	/nfs/dbraw/zinc/06/69/64/964066964.db2.gz	FYEFKUZDCYWXTR-KURKYZTESA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCCc2ccccc2)C1	ZINC001185749556	964104204	/nfs/dbraw/zinc/10/42/04/964104204.db2.gz	KSTXLOGBZUDPKG-QRVBRYPASA-N	1	0	371.481	1.127	20	30		FDEDRO
C[N@@H+]1CCC[C@H](NC(=O)c2cc(C#N)ccc2I)C1	ZINC001185815574	964140293	/nfs/dbraw/zinc/14/02/93/964140293.db2.gz	PBECSJPZOQYOKB-NSHDSACASA-N	1	0	369.206	1.987	20	30		FDEDRO
C#CCC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]3CCCO[C@H]3C=C)C2)nn1	ZINC001185942952	964206375	/nfs/dbraw/zinc/20/63/75/964206375.db2.gz	PFWOZVDWRJYWSP-OTWHNJEPSA-N	1	0	371.485	1.536	20	30		FDEDRO
C=CCC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)nn1	ZINC001185954294	964214324	/nfs/dbraw/zinc/21/43/24/964214324.db2.gz	JSTQXIFIMMTKKR-GVDBMIGSSA-N	1	0	369.473	1.634	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCCOC)C2	ZINC001110373548	964229444	/nfs/dbraw/zinc/22/94/44/964229444.db2.gz	LEUCMQMKXIALCD-KURKYZTESA-N	1	0	365.518	1.949	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCCCCCC[NH2+][C@@H](C)C(=O)N(C)C	ZINC001178513521	964265207	/nfs/dbraw/zinc/26/52/07/964265207.db2.gz	RNIZPLSNRNNJQH-BBWFWOEESA-N	1	0	353.507	1.711	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cc2nnc(C)[nH]2)C1	ZINC001186189256	964339064	/nfs/dbraw/zinc/33/90/64/964339064.db2.gz	KYCGPLOQDAUYDS-SJLPKXTDSA-N	1	0	369.444	1.650	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2nccs2)C1	ZINC001186243690	964370342	/nfs/dbraw/zinc/37/03/42/964370342.db2.gz	ORUUSMVKHHYGBS-IPYPFGDCSA-N	1	0	364.471	1.253	20	30		FDEDRO
CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC12CCOCC2	ZINC001186403044	964474274	/nfs/dbraw/zinc/47/42/74/964474274.db2.gz	ZPTAQSOEYGUMEE-GVDBMIGSSA-N	1	0	356.470	1.381	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC12CCOCC2	ZINC001186373491	964481795	/nfs/dbraw/zinc/48/17/95/964481795.db2.gz	LMHJSFVHBSTXAA-BRWVUGGUSA-N	1	0	363.502	1.322	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCO[C@H]2C(C)C)CC12CCOCC2	ZINC001186373112	964482097	/nfs/dbraw/zinc/48/20/97/964482097.db2.gz	GVONVDMIGPHULV-QYZOEREBSA-N	1	0	362.514	1.916	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2C[C@H]2C2CC2)[C@H]1C	ZINC001179179562	964744793	/nfs/dbraw/zinc/74/47/93/964744793.db2.gz	YEIUJRCTWRSAFV-DKIMLUQUSA-N	1	0	360.502	1.764	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@H](CC)c1ccccc1OCC(=O)N1CCCC1	ZINC000775049176	964752661	/nfs/dbraw/zinc/75/26/61/964752661.db2.gz	AJKKFTRXUXSJJX-FUHWJXTLSA-N	1	0	371.481	1.866	20	30		FDEDRO
Cn1nnc2cc(C[N@@H+]3C[C@@H]4CCN(C(=O)CSCC#N)[C@@H]4C3)ccc21	ZINC001186916983	964876653	/nfs/dbraw/zinc/87/66/53/964876653.db2.gz	DEEGTJZGGBZCBG-WMLDXEAASA-N	1	0	370.482	1.258	20	30		FDEDRO
C[C@H](C#N)C(=O)N([C@H]1CCC12CC[NH2+]CC2)S(=O)(=O)c1ccccc1	ZINC001179888692	965015663	/nfs/dbraw/zinc/01/56/63/965015663.db2.gz	AKNTVWDCMSITOP-ZBFHGGJFSA-N	1	0	361.467	1.896	20	30		FDEDRO
COc1cc2c(cc1OC)C(=O)C1(CC[NH+](C)CC1)N(C(=O)[C@H](C)C#N)C2	ZINC001179896122	965020505	/nfs/dbraw/zinc/02/05/05/965020505.db2.gz	QKHRWUQQLWDJNQ-CYBMUJFWSA-N	1	0	371.437	1.853	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)COCCC)[C@@H]2C1	ZINC001187150673	965047691	/nfs/dbraw/zinc/04/76/91/965047691.db2.gz	GUUKGSVABQESHA-FGTMMUONSA-N	1	0	365.518	1.759	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COc1ccccc1	ZINC001110390448	965056386	/nfs/dbraw/zinc/05/63/86/965056386.db2.gz	NPLBUIFYAALHHM-JFRXWTBNSA-N	1	0	360.454	1.350	20	30		FDEDRO
CCOC(=O)CCNC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC001187235684	965110274	/nfs/dbraw/zinc/11/02/74/965110274.db2.gz	COFARHUCCLSJKA-UHFFFAOYSA-N	1	0	358.442	1.797	20	30		FDEDRO
C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1	ZINC001180250205	965179136	/nfs/dbraw/zinc/17/91/36/965179136.db2.gz	WUOYUSAJDAQHHY-SJWGOKEGSA-N	1	0	358.417	1.148	20	30		FDEDRO
C=CCSCC(=O)N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2	ZINC001180559554	965400639	/nfs/dbraw/zinc/40/06/39/965400639.db2.gz	UMVXFRFDYVMGLP-IEBWSBKVSA-N	1	0	367.559	1.693	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](CCc3ccc(CC)cc3)C[C@H]21	ZINC001187591524	965512471	/nfs/dbraw/zinc/51/24/71/965512471.db2.gz	QJULLXZFYSKZNT-VQTJNVASSA-N	1	0	367.493	1.464	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc4oc(=O)n(C)c4c3)C[C@H]21	ZINC001187706845	965649915	/nfs/dbraw/zinc/64/99/15/965649915.db2.gz	SKMOFVXUBBKGIF-FUHWJXTLSA-N	1	0	367.449	1.968	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)c3ccc(F)cc3)C[C@H]21	ZINC001187857776	965798106	/nfs/dbraw/zinc/79/81/06/965798106.db2.gz	QUGYOQRGZALRES-QXAKKESOSA-N	1	0	360.429	1.432	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(COC)c3)C[C@H]21	ZINC001187866039	965812381	/nfs/dbraw/zinc/81/23/81/965812381.db2.gz	WWJJFDCRGFXCFW-VQTJNVASSA-N	1	0	356.466	1.906	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCOCC4CC4)[C@@H]3C2)C1=O	ZINC001187894960	965831275	/nfs/dbraw/zinc/83/12/75/965831275.db2.gz	FMFRQWQCJBLEOS-OKZBNKHCSA-N	1	0	361.486	1.123	20	30		FDEDRO
CCOC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)CC1	ZINC000775154958	965914349	/nfs/dbraw/zinc/91/43/49/965914349.db2.gz	HVAOYCDSKCMXJH-GJZGRUSLSA-N	1	0	358.442	1.898	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CNC(=O)c3ccncc3)[C@@H]2C1	ZINC001187991588	965948083	/nfs/dbraw/zinc/94/80/83/965948083.db2.gz	TWDUKXILLQOYPN-RYQLBKOJSA-N	1	0	356.470	1.699	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1CC[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]21)OCC	ZINC001188095340	966004638	/nfs/dbraw/zinc/00/46/38/966004638.db2.gz	ICOFIKCRHYWLJX-KSZLIROESA-N	1	0	363.502	1.513	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1CC[C@H]2C[N@H+](CCc3cnn(C)c3)C[C@H]21)OCC	ZINC001188095379	966005242	/nfs/dbraw/zinc/00/52/42/966005242.db2.gz	JPTRXJOXLUKXCM-IPMKNSEASA-N	1	0	360.502	1.867	20	30		FDEDRO
COCC#CCN1C[C@@H]2CCN(C(=O)c3[nH]ncc3C(F)(F)F)[C@@H]2C1	ZINC001188174081	966078008	/nfs/dbraw/zinc/07/80/08/966078008.db2.gz	RCGWSISQIJJEFI-WCQYABFASA-N	1	0	356.348	1.225	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn4c3ccc(C)c4C)[C@@H]2C1	ZINC001188255234	966158352	/nfs/dbraw/zinc/15/83/52/966158352.db2.gz	COYTWVLDFKDSOD-FXAWDEMLSA-N	1	0	366.465	1.747	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(cc[nH]c4=O)n3)[C@@H]2C1	ZINC001188397050	966263233	/nfs/dbraw/zinc/26/32/33/966263233.db2.gz	PXKRDFBQGCQJGA-KBXCAEBGSA-N	1	0	368.437	1.684	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3nnc(-c4ccco4)n3)[C@@H]2C1	ZINC001188413708	966309113	/nfs/dbraw/zinc/30/91/13/966309113.db2.gz	URSNXSZSHQMYFF-OWCLPIDISA-N	1	0	370.457	1.821	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)[C@@H]2C1	ZINC001188485808	966313930	/nfs/dbraw/zinc/31/39/30/966313930.db2.gz	NWOBUXIERJDISY-JKSUJKDBSA-N	1	0	362.474	1.452	20	30		FDEDRO
C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cccc(C(C)C)n3)[C@@H]2C1	ZINC001188455636	966326825	/nfs/dbraw/zinc/32/68/25/966326825.db2.gz	AXFCGZFRNPGQFC-MAUKXSAKSA-N	1	0	354.454	1.101	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)Nc4ccccc43)[C@@H]2C1	ZINC001188723908	966537009	/nfs/dbraw/zinc/53/70/09/966537009.db2.gz	IFMYVVPMDAAUNV-KVSKMBFKSA-N	1	0	369.465	1.848	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(CC(=O)NCCCC)C[C@H]32)cc1	ZINC001188744469	966552865	/nfs/dbraw/zinc/55/28/65/966552865.db2.gz	PKXNGAJYQLQOQZ-RBUKOAKNSA-N	1	0	353.466	1.731	20	30		FDEDRO
CC#CCCCC(=O)N1CC[C@H]2C[N@H+](CCn3c(C)csc3=O)C[C@H]21	ZINC001188855119	966622251	/nfs/dbraw/zinc/62/22/51/966622251.db2.gz	BTNXGOCGFJHPAM-DLBZAZTESA-N	1	0	361.511	1.945	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]21	ZINC001188909587	966650360	/nfs/dbraw/zinc/65/03/60/966650360.db2.gz	VXWCIERGAZTCPI-RYQLBKOJSA-N	1	0	368.543	1.946	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4nn(C)cc43)[C@@H]2C1	ZINC001188949618	966667329	/nfs/dbraw/zinc/66/73/29/966667329.db2.gz	STJPCZMNOKURRE-FRQCXROJSA-N	1	0	356.470	1.023	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)C(=O)N(CC)CC)C[C@H]32)c1	ZINC001189077898	966754073	/nfs/dbraw/zinc/75/40/73/966754073.db2.gz	XLCDZKMYOYECOD-VDZJLULYSA-N	1	0	368.481	1.466	20	30		FDEDRO
COCC#CCN1C[C@@H]2CCN(C(=O)c3cn(CCC(C)C)nn3)[C@@H]2C1	ZINC001189101833	966774303	/nfs/dbraw/zinc/77/43/03/966774303.db2.gz	QLBAFGIOWXIVOJ-FUHWJXTLSA-N	1	0	359.474	1.120	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(=O)c4ccccc34)[C@@H]2C1	ZINC001189318190	966908467	/nfs/dbraw/zinc/90/84/67/966908467.db2.gz	YNARMPGRXMSLAM-HNAYVOBHSA-N	1	0	365.433	1.737	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccn(CC(C)C)c3=O)[C@@H]2C1	ZINC001189324651	966911885	/nfs/dbraw/zinc/91/18/85/966911885.db2.gz	MPVMDZDXTKHGQS-PKOBYXMFSA-N	1	0	371.481	1.300	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3sc(N(C)C)nc3C)[C@@H]2C1	ZINC001189334329	966917049	/nfs/dbraw/zinc/91/70/49/966917049.db2.gz	SOKOGZRRPHPKRQ-LSDHHAIUSA-N	1	0	364.515	1.866	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3OC)[C@@H]2C1	ZINC001189375418	966927544	/nfs/dbraw/zinc/92/75/44/966927544.db2.gz	IAABQUDMUJZIEX-IJXRJRJASA-N	1	0	368.477	1.981	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c(C)noc3Cl)[C@@H]2C1	ZINC001189419033	966965056	/nfs/dbraw/zinc/96/50/56/966965056.db2.gz	LLQUNYFZKFOOIX-DZGCQCFKSA-N	1	0	353.850	1.914	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH2+]C1(CO)CCN(C(=O)OC(C)(C)C)CC1	ZINC000852174451	967052480	/nfs/dbraw/zinc/05/24/80/967052480.db2.gz	DSNKWGHLTWEZBY-UHFFFAOYSA-N	1	0	368.478	1.100	20	30		FDEDRO
COc1ccc(CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1C#N	ZINC000852221062	967115255	/nfs/dbraw/zinc/11/52/55/967115255.db2.gz	NEQJAMNYCQEYFZ-QGZVFWFLSA-N	1	0	358.442	1.619	20	30		FDEDRO
C[C@@H](C#N)OCCN1CC[N@H+](CCO[C@@H](C)C#N)Cc2cc(O)ccc21	ZINC000852253367	967155078	/nfs/dbraw/zinc/15/50/78/967155078.db2.gz	SFNTVXIWYPNDNV-HOTGVXAUSA-N	1	0	358.442	1.872	20	30		FDEDRO
CCOC(=O)C1=C(CNC(C)(C)c2cccc(C#N)c2)NC(=O)N[C@@H]1C	ZINC000852354777	967246780	/nfs/dbraw/zinc/24/67/80/967246780.db2.gz	UMXKFJKCFOGXSX-GFCCVEGCSA-N	1	0	356.426	1.901	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CCOC[C@H]4CCCO4)C[C@H]32)nc1	ZINC001189844867	967348016	/nfs/dbraw/zinc/34/80/16/967348016.db2.gz	ZLKLFLPCLIUCQI-NLWGTHIKSA-N	1	0	369.465	1.405	20	30		FDEDRO
N#CCNC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1	ZINC000852475369	967359725	/nfs/dbraw/zinc/35/97/25/967359725.db2.gz	ZWNQUTHFHOBFTO-CHWSQXEVSA-N	1	0	360.380	1.282	20	30		FDEDRO
C[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C[C@H]1COCCO1	ZINC000852495795	967374285	/nfs/dbraw/zinc/37/42/85/967374285.db2.gz	MWXGFUFNGSKQGK-LSDHHAIUSA-N	1	0	352.394	1.571	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CNS(=O)(=O)CCCC)[C@@H]2C1	ZINC001189969078	967422898	/nfs/dbraw/zinc/42/28/98/967422898.db2.gz	ASJYHYNQEFOFFI-JKSUJKDBSA-N	1	0	357.520	1.205	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@@H+](CCOCCOC)C[C@H]21	ZINC001189942446	967444030	/nfs/dbraw/zinc/44/40/30/967444030.db2.gz	PRMZBNCEKQQXRE-VQTJNVASSA-N	1	0	356.466	1.406	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1	ZINC000852586788	967447839	/nfs/dbraw/zinc/44/78/39/967447839.db2.gz	MNNARBMMGSCMNB-KRWDZBQOSA-N	1	0	360.502	1.564	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)/C=C\C1CC1)C2	ZINC001110421123	967457978	/nfs/dbraw/zinc/45/79/78/967457978.db2.gz	VYGJJQQTRVHBRR-DUQIHRHUSA-N	1	0	360.458	1.074	20	30		FDEDRO
C=C[C@H](CO)NCC(=O)N(C)c1ccccc1C(=O)NCc1ccco1	ZINC000852714623	967549826	/nfs/dbraw/zinc/54/98/26/967549826.db2.gz	WTIZBROLCADXMD-CQSZACIVSA-N	1	0	357.410	1.309	20	30		FDEDRO
C#CCCN(CCOC)Cc1nc2oc(C)c(C(=O)OCC)c2c(N)n1	ZINC000852748468	967576216	/nfs/dbraw/zinc/57/62/16/967576216.db2.gz	AABIKNDVKIGXIC-UHFFFAOYSA-N	1	0	360.414	1.762	20	30		FDEDRO
COC(=O)C[C@H](NC(=O)C#CC1CC[NH2+]CC1)c1ccc(OC)c(OC)c1	ZINC000852805837	967620146	/nfs/dbraw/zinc/62/01/46/967620146.db2.gz	AGXDNBGZBGCSTK-INIZCTEOSA-N	1	0	374.437	1.427	20	30		FDEDRO
CC[C@@H]([NH2+]C)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1	ZINC000852817398	967629681	/nfs/dbraw/zinc/62/96/81/967629681.db2.gz	BTKYBMFVYZURCR-CVALACBASA-N	1	0	352.460	1.436	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NCCc1ccc(OCC(=O)NC2CC2)cc1	ZINC000852818974	967631485	/nfs/dbraw/zinc/63/14/85/967631485.db2.gz	UMEQTBBCAGSCFK-UHFFFAOYSA-N	1	0	369.465	1.006	20	30		FDEDRO
C[C@H]1CN(C(=O)c2ccc(NC(=O)C#CC3CC[NH2+]CC3)cc2)C[C@H](C)O1	ZINC000852821017	967632558	/nfs/dbraw/zinc/63/25/58/967632558.db2.gz	WYYRKNFZHHDYJF-HOTGVXAUSA-N	1	0	369.465	1.878	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCCc2nc(C)no2)C1	ZINC001190229356	967643016	/nfs/dbraw/zinc/64/30/16/967643016.db2.gz	CMLOBJZINFLEEC-BBWFWOEESA-N	1	0	362.474	1.825	20	30		FDEDRO
COc1ccccc1-c1noc([C@H](C)NC(=O)C#CC2CC[NH2+]CC2)n1	ZINC000852852151	967658014	/nfs/dbraw/zinc/65/80/14/967658014.db2.gz	OYFGDUNHTNPQJJ-ZDUSSCGKSA-N	1	0	354.410	1.925	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NC[C@@H](c1cccc(F)c1)N1CCOCC1	ZINC000852863149	967668336	/nfs/dbraw/zinc/66/83/36/967668336.db2.gz	RHVOTNVSJVSEDM-IBGZPJMESA-N	1	0	359.445	1.318	20	30		FDEDRO
C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)c1cc(F)ccc1N1CCC(O)CC1	ZINC000852865817	967671652	/nfs/dbraw/zinc/67/16/52/967671652.db2.gz	PQPOSELIKWBSSD-OAHLLOKOSA-N	1	0	373.472	1.967	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1	ZINC000852882255	967687226	/nfs/dbraw/zinc/68/72/26/967687226.db2.gz	BBNBOGQIUMOGDK-QGZVFWFLSA-N	1	0	355.486	1.714	20	30		FDEDRO
C[C@H]([NH2+]C1CC1)C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000852906851	967698438	/nfs/dbraw/zinc/69/84/38/967698438.db2.gz	VEEFRBIWDCYSSF-AWEZNQCLSA-N	1	0	364.453	1.737	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NCC[C@@H]([NH3+])C(C)C)ccc1F	ZINC000852916623	967705166	/nfs/dbraw/zinc/70/51/66/967705166.db2.gz	CFWWULQIYWJFJU-CQSZACIVSA-N	1	0	357.451	1.393	20	30		FDEDRO
N#Cc1ncc(Br)cc1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000853266416	967950651	/nfs/dbraw/zinc/95/06/51/967950651.db2.gz	DRJHNXOEGVMYIZ-UKRRQHHQSA-N	1	0	351.248	1.751	20	30		FDEDRO
COC[C@@H](C)Oc1ccc(C=NNC(=S)NCCC[NH+](C)C)cc1	ZINC000853306344	967964447	/nfs/dbraw/zinc/96/44/47/967964447.db2.gz	UZFMTAPLEZTJIC-CQSZACIVSA-N	1	0	352.504	1.850	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@@H](C)c2ccccc2-n2cccn2)CC1	ZINC000775399248	967965099	/nfs/dbraw/zinc/96/50/99/967965099.db2.gz	ARTNPVXVKIFHFM-KRWDZBQOSA-N	1	0	351.454	1.300	20	30		FDEDRO
CC[N@@H+]1CCO[C@@H]2CN(S(=O)(=O)c3cc(C#N)ccc3F)C[C@@H]2C1	ZINC001190631284	967995355	/nfs/dbraw/zinc/99/53/55/967995355.db2.gz	HOQITDKLPKKGNK-DZGCQCFKSA-N	1	0	353.419	1.039	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccsc1)C2	ZINC001110666185	968006968	/nfs/dbraw/zinc/00/69/68/968006968.db2.gz	ATSCSTGNGYHTSN-SVGFKBNWSA-N	1	0	359.495	1.540	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCNC(C)=O	ZINC001110666586	968008367	/nfs/dbraw/zinc/00/83/67/968008367.db2.gz	RELQTNJIKKUEIB-KURKYZTESA-N	1	0	374.485	1.162	20	30		FDEDRO
C=CC[C@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(CCC(=O)OCC)C2=O)C1	ZINC000853537116	968092738	/nfs/dbraw/zinc/09/27/38/968092738.db2.gz	PGJANRQTSGJWND-KSSFIOAISA-N	1	0	351.447	1.886	20	30		FDEDRO
C=CCC1(S(=O)(=O)Nc2ccc(N3CC[NH+](CCO)CC3)cc2)CC1	ZINC001190806646	968103042	/nfs/dbraw/zinc/10/30/42/968103042.db2.gz	LPQKNIHCNOHMEU-UHFFFAOYSA-N	1	0	365.499	1.651	20	30		FDEDRO
C=CCC1(S(=O)(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1	ZINC001190822812	968109666	/nfs/dbraw/zinc/10/96/66/968109666.db2.gz	IUTNQLRAMIAWHZ-UHFFFAOYSA-N	1	0	363.527	1.832	20	30		FDEDRO
C#CC[N@@H+](C)CCCNc1ccc(C(=O)CC)cc1S(=O)(=O)NC	ZINC000853647185	968222498	/nfs/dbraw/zinc/22/24/98/968222498.db2.gz	RWJCSTWGHCHHRS-UHFFFAOYSA-N	1	0	351.472	1.554	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H](C2N=NC(=S)N2CC)C1	ZINC000854094558	968587886	/nfs/dbraw/zinc/58/78/86/968587886.db2.gz	VSIKAWCGXHQGTL-CQSZACIVSA-N	1	0	364.519	1.431	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCCc2cccc(F)c2)C[C@H]1O	ZINC001191614911	968621958	/nfs/dbraw/zinc/62/19/58/968621958.db2.gz	QVUVHXKXUIXFLK-ATZDWAIDSA-N	1	0	364.461	1.901	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](CCCOc2cccc3ccccc32)C[C@H]1O	ZINC001191882928	968835008	/nfs/dbraw/zinc/83/50/08/968835008.db2.gz	ZXEAQMUOZDSCIH-KFKAGJAMSA-N	1	0	367.449	1.930	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCCOc2ccccc2C)C[C@H]1O	ZINC001192548025	969158385	/nfs/dbraw/zinc/15/83/85/969158385.db2.gz	XSRWFWSBCFTUDM-HLIPFELVSA-N	1	0	362.470	1.252	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCCc2ccccc2Cl)C[C@H]1O	ZINC001192530961	969175890	/nfs/dbraw/zinc/17/58/90/969175890.db2.gz	RFKAKIZQNKYBCJ-ZHALLVOQSA-N	1	0	366.889	1.761	20	30		FDEDRO
N#Cc1ccc(C(=O)N(c2ncccc2F)[C@H]2CO[C@]3(CC[NH2+]C3)C2)o1	ZINC001192676675	969226728	/nfs/dbraw/zinc/22/67/28/969226728.db2.gz	VGIINYWACHZUCR-KZULUSFZSA-N	1	0	356.357	1.853	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1C[N@@H+](CCn2cc(-c3ccccc3)cn2)C[C@H]1O	ZINC001192779385	969284308	/nfs/dbraw/zinc/28/43/08/969284308.db2.gz	STSCZFIDBFFKLA-WOJBJXKFSA-N	1	0	364.449	1.125	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCc3ccc(F)cc32)C[C@H]1O	ZINC001192886797	969349518	/nfs/dbraw/zinc/34/95/18/969349518.db2.gz	ZOIPPRZAFZOHDM-GUDVDZBRSA-N	1	0	360.429	1.404	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@H](CC)OC)C[C@H]2O)cc1	ZINC001192900053	969355432	/nfs/dbraw/zinc/35/54/32/969355432.db2.gz	ZSPDQCVPSXLOSD-QXAKKESOSA-N	1	0	360.454	1.289	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nn(C)c3ccccc23)C1	ZINC001193005798	969405104	/nfs/dbraw/zinc/40/51/04/969405104.db2.gz	YZPPMKRPDJTMQQ-POZUXBRTSA-N	1	0	356.470	1.632	20	30		FDEDRO
N#Cc1ccncc1C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001192971998	969412321	/nfs/dbraw/zinc/41/23/21/969412321.db2.gz	ZXMKLWHJAWSZIM-QZTJIDSGSA-N	1	0	363.421	1.464	20	30		FDEDRO
COc1cc(NS(=O)(=O)[C@@H](C)C#N)ccc1OCC[NH+]1CCCC1	ZINC001193160297	969520531	/nfs/dbraw/zinc/52/05/31/969520531.db2.gz	BQCATZNHIXFMMK-ZDUSSCGKSA-N	1	0	353.444	1.824	20	30		FDEDRO
COc1cc(N2CCC([NH+](C)C)CC2)ccc1NS(=O)(=O)[C@H](C)C#N	ZINC001193161448	969521125	/nfs/dbraw/zinc/52/11/25/969521125.db2.gz	OXQBFCOOOYTSKP-CYBMUJFWSA-N	1	0	366.487	1.879	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nc3c2cccc3OC)C1	ZINC001193353850	969649785	/nfs/dbraw/zinc/64/97/85/969649785.db2.gz	MILZAZWYNCCRKQ-BPLDGKMQSA-N	1	0	358.442	1.701	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCc2cnn(CC)c2)C[C@H]1O	ZINC001193312862	969652625	/nfs/dbraw/zinc/65/26/25/969652625.db2.gz	PBRJKWPLWMIYPB-HUUCEWRRSA-N	1	0	354.882	1.386	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1CN(C[C@@H](O)COc2ccc(F)cc2)C[C@H]1O	ZINC001193407021	969658083	/nfs/dbraw/zinc/65/80/83/969658083.db2.gz	ANSAACHHAWGKEJ-KBAYOESNSA-N	1	0	366.433	1.083	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2CN(C)C)C1	ZINC001193384599	969671974	/nfs/dbraw/zinc/67/19/74/969671974.db2.gz	OMPOKHWTIGPQDZ-NUEKZKHPSA-N	1	0	351.516	1.939	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@](C)(OC)c2ccccc2F)C1	ZINC001193601957	969788566	/nfs/dbraw/zinc/78/85/66/969788566.db2.gz	PCIJRGZXLJJQMT-LMMKCTJWSA-N	1	0	350.434	1.815	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](C[C@H](C)CC(C)C)C[C@H]2O)CCOCC1	ZINC001193718724	969840689	/nfs/dbraw/zinc/84/06/89/969840689.db2.gz	KYJMQOWBJOSGMI-KZNAEPCWSA-N	1	0	350.503	1.650	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)OCCCO3)C1	ZINC001193755966	969858376	/nfs/dbraw/zinc/85/83/76/969858376.db2.gz	ODAHSBSBALICRB-DJIMGWMZSA-N	1	0	360.454	1.978	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(CC(C)C)CCNC2=O)C1	ZINC001193910631	969919817	/nfs/dbraw/zinc/91/98/17/969919817.db2.gz	DXXBVPKSYLYBPR-MBOZVWFJSA-N	1	0	365.518	1.447	20	30		FDEDRO
C[C@@H](CC(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O)c1ccncc1	ZINC001194075652	969989248	/nfs/dbraw/zinc/98/92/48/969989248.db2.gz	MQGRJBJRZATDIR-IOMROCGXSA-N	1	0	363.461	1.788	20	30		FDEDRO
N#Cc1cncc(C(=O)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1	ZINC001194105329	970020945	/nfs/dbraw/zinc/02/09/45/970020945.db2.gz	QIPWNLNELMEGOT-RBUKOAKNSA-N	1	0	363.421	1.464	20	30		FDEDRO
COc1cc(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)ccc1C#N	ZINC000854931091	970047049	/nfs/dbraw/zinc/04/70/49/970047049.db2.gz	DWXWBMIMYDSAMY-UHFFFAOYSA-N	1	0	372.469	1.093	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)c2c(C)noc2C)C1	ZINC001194226698	970057503	/nfs/dbraw/zinc/05/75/03/970057503.db2.gz	BFMAMJIHIPOFKB-APHBMKBZSA-N	1	0	351.447	1.149	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(Cc2cc(F)ccc2C#N)C[C@H]1O	ZINC001194235466	970065786	/nfs/dbraw/zinc/06/57/86/970065786.db2.gz	KJQBQZFBZVHORU-IAGOWNOFSA-N	1	0	362.449	1.089	20	30		FDEDRO
C#CCN(CC(=O)N1CC[NH+](C(C)(C)COC)CC1)C(=O)OC(C)(C)C	ZINC000854984300	970084001	/nfs/dbraw/zinc/08/40/01/970084001.db2.gz	IMCBMCFEXJTMBU-UHFFFAOYSA-N	1	0	367.490	1.426	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCOCC(F)(F)F)C1	ZINC001194342687	970144414	/nfs/dbraw/zinc/14/44/14/970144414.db2.gz	NOYHJPYGTYGLTN-ZIAGYGMSSA-N	1	0	352.397	1.863	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(-c3ccccc3)nn2)C1	ZINC001194391670	970153825	/nfs/dbraw/zinc/15/38/25/970153825.db2.gz	RVDRVYJJBKHBBD-QGPMSJSTSA-N	1	0	355.442	1.397	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(-c3ccccc3)nn2)C1	ZINC001194391672	970154474	/nfs/dbraw/zinc/15/44/74/970154474.db2.gz	RVYBXCRHSRKWJT-IEBWSBKVSA-N	1	0	369.469	1.789	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccc(OC)nc2)C1	ZINC001194631312	970277782	/nfs/dbraw/zinc/27/77/82/970277782.db2.gz	BIYOMRPELXBKLV-QZTJIDSGSA-N	1	0	361.486	1.931	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)F)nn2C)C1	ZINC001194652334	970288668	/nfs/dbraw/zinc/28/86/68/970288668.db2.gz	QTFJEFNSTWFKMK-UKRRQHHQSA-N	1	0	356.417	1.879	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nncn3CC2)C1	ZINC001194816152	970440875	/nfs/dbraw/zinc/44/08/75/970440875.db2.gz	TYZDOOHQIYKPNA-BRWVUGGUSA-N	1	0	363.506	1.362	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2-c2ccoc2)C1	ZINC001194893089	970535067	/nfs/dbraw/zinc/53/50/67/970535067.db2.gz	ORMZISNZQYRKEN-IAOVAPTHSA-N	1	0	358.442	1.810	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2c2nccs2)C1	ZINC001194952196	970550981	/nfs/dbraw/zinc/55/09/81/970550981.db2.gz	LRARNIKLFVLHPD-RBSFLKMASA-N	1	0	350.488	1.239	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccc(Cl)cc2)C1	ZINC001195072444	970664822	/nfs/dbraw/zinc/66/48/22/970664822.db2.gz	DKVJVOTWCBNSLV-IAGOWNOFSA-N	1	0	352.862	1.637	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](OC)C1CCCC1	ZINC001110465904	970668805	/nfs/dbraw/zinc/66/88/05/970668805.db2.gz	YUIQVMHMJXZPKC-BDXSIMOUSA-N	1	0	361.486	1.053	20	30		FDEDRO
C[NH+](C)[C@H]1C[C@@H](NS(=O)(=O)Cc2cc(C#N)ccc2F)C12CCC2	ZINC001195096381	970683534	/nfs/dbraw/zinc/68/35/34/970683534.db2.gz	AQPXPUXUOZNKSA-CVEARBPZSA-N	1	0	351.447	1.990	20	30		FDEDRO
C[NH+](C)CC1(O)CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC1	ZINC001195144865	970721622	/nfs/dbraw/zinc/72/16/22/970721622.db2.gz	HVIVSQUJYLYDKT-UHFFFAOYSA-N	1	0	371.890	1.483	20	30		FDEDRO
C#C[C@@H](NCC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)[C@@H]1CCCO1	ZINC000775794168	972533145	/nfs/dbraw/zinc/53/31/45/972533145.db2.gz	PVCHUSDYICZLCZ-RTWAWAEBSA-N	1	0	369.509	1.800	20	30		FDEDRO
COc1ncc(/C=C/C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cn1	ZINC000775794850	972575192	/nfs/dbraw/zinc/57/51/92/972575192.db2.gz	KTPFYPAXDORCFT-CMDGGOBGSA-N	1	0	365.437	1.960	20	30		FDEDRO
CCOC(=O)c1[nH]c(C)c(C=NNC(=S)NCCC[NH+](C)C)c1C	ZINC000863093096	972664772	/nfs/dbraw/zinc/66/47/72/972664772.db2.gz	WZHVJXFRQATMJC-UHFFFAOYSA-N	1	0	353.492	1.558	20	30		FDEDRO
CCCC[C@@H](CNc1ccc(C#N)cn1)NC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC001114327354	972669492	/nfs/dbraw/zinc/66/94/92/972669492.db2.gz	QRVPOUPKZZCGHN-HYVNUMGLSA-N	1	0	359.474	1.759	20	30		FDEDRO
CCCCCCCCC(=O)N[C@@H]1CN([C@H](CCCC)C(N)=O)C[C@H]1O	ZINC001198087609	972740516	/nfs/dbraw/zinc/74/05/16/972740516.db2.gz	GPSPGBADIWXULH-BRWVUGGUSA-N	1	0	355.523	1.942	20	30		FDEDRO
CCOC(=O)C1([C@H](C)[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)CCOCC1	ZINC001198289803	972955513	/nfs/dbraw/zinc/95/55/13/972955513.db2.gz	TXODNFJNYPDGTQ-XJKSGUPXSA-N	1	0	359.426	1.423	20	30		FDEDRO
CON=CC(=O)Nc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc[nH+]1	ZINC000863547669	973001972	/nfs/dbraw/zinc/00/19/72/973001972.db2.gz	UUUVCJBOJAIDSJ-UHFFFAOYSA-N	1	0	363.418	1.709	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1	ZINC000645119882	1014075527	/nfs/dbraw/zinc/07/55/27/1014075527.db2.gz	VNNFHIXLKSTUBT-FUHWJXTLSA-N	1	0	359.470	1.906	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cccc(C)c2)C1	ZINC001198359033	973053962	/nfs/dbraw/zinc/05/39/62/973053962.db2.gz	CCBJEEWVERLBEF-KBAYOESNSA-N	1	0	359.470	1.241	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCN(C(C)=O)CC2)C1	ZINC001198501056	973173172	/nfs/dbraw/zinc/17/31/72/973173172.db2.gz	SACVVMNHULTTIA-QZTJIDSGSA-N	1	0	353.507	1.377	20	30		FDEDRO
O=C(C#Cc1ccc2c(c1)OCO2)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1	ZINC000794567997	973273193	/nfs/dbraw/zinc/27/31/93/973273193.db2.gz	ODXTVLWNKZNFPM-GOSISDBHSA-N	1	0	364.401	1.972	20	30		FDEDRO
C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1C[C@@H](C)CC(=O)N1)c1ccccc1OC	ZINC001198732215	973433744	/nfs/dbraw/zinc/43/37/44/973433744.db2.gz	IPEQCBJOAZUVOY-OIISXLGYSA-N	1	0	359.470	1.933	20	30		FDEDRO
C#CCN(CC(=O)NCCCN1CCCC1=O)[C@H]1CCc2ccccc21	ZINC000104674275	973495778	/nfs/dbraw/zinc/49/57/78/973495778.db2.gz	AWQJIHHGFBHFJR-IBGZPJMESA-N	1	0	353.466	1.738	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@H]2O)CCCCC1	ZINC001199277952	974159249	/nfs/dbraw/zinc/15/92/49/974159249.db2.gz	ISQSOLCUAZEKHH-QZTJIDSGSA-N	1	0	358.486	1.098	20	30		FDEDRO
CC(C)COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)(C)C)C2	ZINC001110531579	974209450	/nfs/dbraw/zinc/20/94/50/974209450.db2.gz	FQKUIWGSUAFWOA-TVFCKZIOSA-N	1	0	350.503	1.791	20	30		FDEDRO
CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[N@H+](CC2(C#N)CC2)C1	ZINC000775961125	974273904	/nfs/dbraw/zinc/27/39/04/974273904.db2.gz	JURLQIFFDICVPI-CQSZACIVSA-N	1	0	350.463	1.643	20	30		FDEDRO
C#CC[C@H](CC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)c1ccccc1	ZINC001199466895	974279386	/nfs/dbraw/zinc/27/93/86/974279386.db2.gz	NBUYYCNPDHGHAI-VAMGGRTRSA-N	1	0	366.465	1.242	20	30		FDEDRO
COc1cc(Cl)c(C[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1OC	ZINC000865463144	974311783	/nfs/dbraw/zinc/31/17/83/974311783.db2.gz	XDQZLEDPTNYPFO-MSUUIHNZSA-N	1	0	365.817	1.973	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(c2cc(F)c(C#N)cc2[N+](=O)[O-])CC1	ZINC000865507608	974331646	/nfs/dbraw/zinc/33/16/46/974331646.db2.gz	BPNRSNGBDJTBID-UHFFFAOYSA-N	1	0	363.393	1.596	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+][C@H]1CCC[C@H]1CNS(C)(=O)=O	ZINC000865556172	974358582	/nfs/dbraw/zinc/35/85/82/974358582.db2.gz	RHFNZBCFFCVVCH-HOCLYGCPSA-N	1	0	350.488	1.432	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cc1ccc(F)cc1	ZINC001110540615	974463048	/nfs/dbraw/zinc/46/30/48/974463048.db2.gz	ZZDBUQGQOIJCEV-WCIQWLHISA-N	1	0	356.441	1.864	20	30		FDEDRO
C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC[N@@H+]1C	ZINC000120744219	974490750	/nfs/dbraw/zinc/49/07/50/974490750.db2.gz	YFQCBXVSZJDFHZ-TZMCWYRMSA-N	1	0	362.405	1.608	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCOCCCC)C1	ZINC001200529723	974810120	/nfs/dbraw/zinc/81/01/20/974810120.db2.gz	XXVZEJNQKKFNGK-QRVBRYPASA-N	1	0	368.518	1.991	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCO[C@H]2C(C)C)CCCO1	ZINC001200537616	974812320	/nfs/dbraw/zinc/81/23/20/974812320.db2.gz	ROXMQRCACJUKEH-QYZOEREBSA-N	1	0	368.518	1.847	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)C(=O)NCCC)CC1	ZINC001200635724	974851747	/nfs/dbraw/zinc/85/17/47/974851747.db2.gz	CBKRXIHKVBTYDY-OIISXLGYSA-N	1	0	351.491	1.463	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CO[C@H]2CCOC2)C3)cc1	ZINC001110559960	974951330	/nfs/dbraw/zinc/95/13/30/974951330.db2.gz	SGUHUTMILFOHHW-HCXYKTFWSA-N	1	0	355.438	1.585	20	30		FDEDRO
CC[NH+](CC)CCN1CCN(S(=O)(=O)c2ccc(C)c(C#N)c2)CC1	ZINC001201289589	974990502	/nfs/dbraw/zinc/99/05/02/974990502.db2.gz	GRCFBAFTYHDORQ-UHFFFAOYSA-N	1	0	364.515	1.515	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NN=Cc2c[nH+]ccc2N(C)C)cc1[N+](=O)[O-]	ZINC000776182704	975038362	/nfs/dbraw/zinc/03/83/62/975038362.db2.gz	DHMSOIXJNMFBMU-UHFFFAOYSA-N	1	0	363.399	1.677	20	30		FDEDRO
C[C@@H]1CCO[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC#Cc2ccccc2)C1	ZINC001201431155	975045991	/nfs/dbraw/zinc/04/59/91/975045991.db2.gz	WGRBNOLVDRYKBB-HOJAQTOUSA-N	1	0	356.466	1.670	20	30		FDEDRO
CC[C@@H]1C[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)N(CC)CCC#N)C1	ZINC001201449074	975065777	/nfs/dbraw/zinc/06/57/77/975065777.db2.gz	YOVCOXNCWCGZAC-IXDOHACOSA-N	1	0	364.490	1.002	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)CC1	ZINC001201584023	975088577	/nfs/dbraw/zinc/08/85/77/975088577.db2.gz	LPWPAMZSJKRGJK-FHLIZLRMSA-N	1	0	363.502	1.320	20	30		FDEDRO
CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2OCC[C@@H]2c2ccccc2)CCCO1	ZINC001201611824	975097557	/nfs/dbraw/zinc/09/75/57/975097557.db2.gz	INXCAISTFVMOCN-XUVXKRRUSA-N	1	0	356.466	1.790	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2	ZINC001110576457	975254852	/nfs/dbraw/zinc/25/48/52/975254852.db2.gz	JIPIKTQYXOGNFP-NNIGNNQHSA-N	1	0	374.529	1.249	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)C2	ZINC001110583722	975327231	/nfs/dbraw/zinc/32/72/31/975327231.db2.gz	JRSIGHPOMGQKSQ-VQHPVUNQSA-N	1	0	371.547	1.782	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](Cc2ccncc2)C(=O)OC(C)(C)C)CC1	ZINC000847265387	975395525	/nfs/dbraw/zinc/39/55/25/975395525.db2.gz	YUTJLNJDUYEWBO-GOSISDBHSA-N	1	0	371.481	1.796	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)nc1	ZINC000847332553	975485188	/nfs/dbraw/zinc/48/51/88/975485188.db2.gz	QRBMVARJHBEWJM-INIZCTEOSA-N	1	0	359.499	1.699	20	30		FDEDRO
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1	ZINC000847352075	975516124	/nfs/dbraw/zinc/51/61/24/975516124.db2.gz	AZAGRGHRUQAYIK-XQLPTFJDSA-N	1	0	365.478	1.385	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3nccs3)C[C@H]2C)CC1	ZINC000958143480	1014277880	/nfs/dbraw/zinc/27/78/80/1014277880.db2.gz	PXSRSIHVYCMWHB-UKRRQHHQSA-N	1	0	360.483	1.065	20	30		FDEDRO
CN(CCN(C)S(=O)(=O)c1cc(F)cc(C#N)c1)C1CC[NH+](C)CC1	ZINC000866545700	975772247	/nfs/dbraw/zinc/77/22/47/975772247.db2.gz	PNTVWKFDPAOASY-UHFFFAOYSA-N	1	0	368.478	1.344	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1	ZINC000866771697	976022540	/nfs/dbraw/zinc/02/25/40/976022540.db2.gz	ISZFFYPNQRPJNY-IRXDYDNUSA-N	1	0	367.446	1.604	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)OCC[C@H]2CC[N@@H+](C)C2)c1	ZINC000847825923	976070944	/nfs/dbraw/zinc/07/09/44/976070944.db2.gz	WTPXWUSEOAAHPE-CQSZACIVSA-N	1	0	350.440	1.097	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)OCC[C@@H]2CC[N@@H+](C)C2)cc1	ZINC000847828340	976074391	/nfs/dbraw/zinc/07/43/91/976074391.db2.gz	ARLWTTXJCZWPMH-AWEZNQCLSA-N	1	0	352.456	1.650	20	30		FDEDRO
Cc1c(Br)c(C)n(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(=O)c1C#N	ZINC000848375223	976703690	/nfs/dbraw/zinc/70/36/90/976703690.db2.gz	LGQJNAPPVFLUIX-MWLCHTKSSA-N	1	0	367.247	1.510	20	30		FDEDRO
COc1cccc2c1OC[C@@H](NC(=O)[C@@H]1[NH2+]CCc3cc(C#N)ccc31)C2	ZINC000867943871	977122249	/nfs/dbraw/zinc/12/22/49/977122249.db2.gz	IUXHBIYQJMOBFL-QFBILLFUSA-N	1	0	363.417	1.874	20	30		FDEDRO
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000867953510	977135881	/nfs/dbraw/zinc/13/58/81/977135881.db2.gz	YKKAOZVHVIBDKC-RBUKOAKNSA-N	1	0	363.417	1.646	20	30		FDEDRO
Cc1nn(C)c(C)c1CCCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000867980759	977164339	/nfs/dbraw/zinc/16/43/39/977164339.db2.gz	ZLHWENRNUIMBMA-LJQANCHMSA-N	1	0	351.454	1.844	20	30		FDEDRO
Cc1cccc(CN2CCO[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C2)c1	ZINC000867998676	977182913	/nfs/dbraw/zinc/18/29/13/977182913.db2.gz	YXUPXGACIAMHPO-MOPGFXCFSA-N	1	0	358.486	1.723	20	30		FDEDRO
C#C[C@@H]1CCC[N@@H+](Cc2ccc(OCC(=O)N3CCOCC3)c(OC)c2)C1	ZINC000848923812	977239148	/nfs/dbraw/zinc/23/91/48/977239148.db2.gz	QQUBMCONWAQQPH-QGZVFWFLSA-N	1	0	372.465	1.778	20	30		FDEDRO
CCN1CC[NH+](CCCCNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1	ZINC000868101901	977286934	/nfs/dbraw/zinc/28/69/34/977286934.db2.gz	BJCRENOMPVFYQM-HXUWFJFHSA-N	1	0	369.513	1.742	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1ccccc1-c1cnn(C)c1	ZINC000849001792	977287769	/nfs/dbraw/zinc/28/77/69/977287769.db2.gz	DVNWMZGIYFGPQY-UHFFFAOYSA-N	1	0	356.474	1.084	20	30		FDEDRO
N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=[NH2+])NC[C@H]1CCCO1	ZINC000849003144	977288132	/nfs/dbraw/zinc/28/81/32/977288132.db2.gz	LMTRCKPEKXCOBP-OAHLLOKOSA-N	1	0	367.457	1.552	20	30		FDEDRO
C#C[C@@H](NC(=[NH2+])NCCCN1CCOCC1)c1ccc(Cl)cc1F	ZINC000849051203	977293794	/nfs/dbraw/zinc/29/37/94/977293794.db2.gz	ASWVROHSFGQCKH-MRXNPFEDSA-N	1	0	352.841	1.990	20	30		FDEDRO
N#Cc1ncn(CCNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)n1	ZINC000849052123	977294550	/nfs/dbraw/zinc/29/45/50/977294550.db2.gz	QARJZHXSDBBEQA-UHFFFAOYSA-N	1	0	353.308	1.363	20	30		FDEDRO
CCCCCCCCNC(=[NH2+])NCCN1CCN(S(C)(=O)=O)CC1	ZINC000849066071	977300105	/nfs/dbraw/zinc/30/01/05/977300105.db2.gz	VDDCDOWGBITVDC-UHFFFAOYSA-N	1	0	361.556	1.038	20	30		FDEDRO
C[NH+]=C(NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)NC1CC1	ZINC000849104382	977316954	/nfs/dbraw/zinc/31/69/54/977316954.db2.gz	MDYRPBUYXHGDOK-HNNXBMFYSA-N	1	0	362.449	1.171	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC[C@H]21	ZINC000868199985	977343451	/nfs/dbraw/zinc/34/34/51/977343451.db2.gz	DJBPKAGGCRYKCI-FUHWJXTLSA-N	1	0	368.485	1.658	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CC1(NC(=O)OC(C)(C)C)CCCC1	ZINC000849323602	977426919	/nfs/dbraw/zinc/42/69/19/977426919.db2.gz	NDFDJCCFAOPVAZ-CYBMUJFWSA-N	1	0	368.478	1.814	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CC1(NC(=O)OC(C)(C)C)CCCC1	ZINC000849323603	977427213	/nfs/dbraw/zinc/42/72/13/977427213.db2.gz	NDFDJCCFAOPVAZ-ZDUSSCGKSA-N	1	0	368.478	1.814	20	30		FDEDRO
C=CC[C@@H](Cc1ccccc1)NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C	ZINC000645465726	1014396776	/nfs/dbraw/zinc/39/67/76/1014396776.db2.gz	YBHJFVVPQLSJSH-AEFFLSMTSA-N	1	0	358.486	1.935	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccc4c(C#N)c[nH]c4c3)CC2)C1=O	ZINC000868328464	977500344	/nfs/dbraw/zinc/50/03/44/977500344.db2.gz	GJMFYKGHKNZGOX-SFHVURJKSA-N	1	0	365.437	1.464	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1C[C@H]1c1ccc(OC)cc1	ZINC001114423586	977642691	/nfs/dbraw/zinc/64/26/91/977642691.db2.gz	OYXJUJHIEDRQFI-ZKLZULKDSA-N	1	0	368.477	1.885	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccn(CCC#N)n2)[C@@H](c2cnn(C)c2)C1	ZINC000849549599	977731145	/nfs/dbraw/zinc/73/11/45/977731145.db2.gz	UBTPKEQVGFRAGT-IAGOWNOFSA-N	1	0	369.473	1.983	20	30		FDEDRO
COc1cc(CNC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)ccc1C#N	ZINC000849597139	977812758	/nfs/dbraw/zinc/81/27/58/977812758.db2.gz	RIAKPVLUGGAYDG-QZTJIDSGSA-N	1	0	367.453	1.652	20	30		FDEDRO
C=CCCn1cc(C[NH2+]CCN2CCN(c3ccc(OC)cc3)CC2)nn1	ZINC000850089925	978147690	/nfs/dbraw/zinc/14/76/90/978147690.db2.gz	IJLDTGCGPJQOAI-UHFFFAOYSA-N	1	0	370.501	1.775	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C	ZINC000850509228	978409935	/nfs/dbraw/zinc/40/99/35/978409935.db2.gz	ZKYHUDBFAWUNLN-CQSZACIVSA-N	1	0	361.417	1.765	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1	ZINC000850549937	978433249	/nfs/dbraw/zinc/43/32/49/978433249.db2.gz	LSTOFCLMEMFTAL-KBPBESRZSA-N	1	0	358.442	1.905	20	30		FDEDRO
CCOC(=O)Nc1ccc(NC(=O)C(=O)N(C)CC2C[NH+](C)C2)cc1C#N	ZINC000850627748	978519333	/nfs/dbraw/zinc/51/93/33/978519333.db2.gz	BEEJXEPHTRSWKQ-UHFFFAOYSA-N	1	0	373.413	1.085	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1)C1CCOCC1	ZINC000850687360	978610246	/nfs/dbraw/zinc/61/02/46/978610246.db2.gz	WPFXCDWQUJESSC-GOSISDBHSA-N	1	0	373.453	1.110	20	30		FDEDRO
N#CCOc1cccc(NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)c1	ZINC000850729517	978652295	/nfs/dbraw/zinc/65/22/95/978652295.db2.gz	FECRNTAJWKJZCL-UHFFFAOYSA-N	1	0	370.453	1.766	20	30		FDEDRO
C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1	ZINC000776522197	978872626	/nfs/dbraw/zinc/87/26/26/978872626.db2.gz	XTUMUYBLDRERIL-KKUMJFAQSA-N	1	0	365.478	1.339	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(c2ccc(C#N)nc2)CC1	ZINC001110630229	978876032	/nfs/dbraw/zinc/87/60/32/978876032.db2.gz	RVDZDQFHWHBOQS-OXQOHEQNSA-N	1	0	365.481	1.724	20	30		FDEDRO
C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	ZINC000851685947	978997495	/nfs/dbraw/zinc/99/74/95/978997495.db2.gz	XQFPGYYHPUKEJX-GFCCVEGCSA-N	1	0	356.451	1.627	20	30		FDEDRO
CCOP(=O)(OCC)[C@H](O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1	ZINC000851733800	979021133	/nfs/dbraw/zinc/02/11/33/979021133.db2.gz	HBCYBEWCKFTUMV-INIZCTEOSA-N	1	0	368.374	1.660	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+](C)[C@H]2CCOC[C@H]2OC)c(OC)c1	ZINC000880422445	979178414	/nfs/dbraw/zinc/17/84/14/979178414.db2.gz	BYHPQONQUGJSKD-FUHIMQAGSA-N	1	0	365.470	1.899	20	30		FDEDRO
C#C[C@@H](NC(=O)NCCCC[NH+]1CCN(CC)CC1)C1CCOCC1	ZINC000851981232	979242914	/nfs/dbraw/zinc/24/29/14/979242914.db2.gz	TUWNSYRTPYIFIN-GOSISDBHSA-N	1	0	350.507	1.132	20	30		FDEDRO
C#CCNC(=O)CC[N@H+]1CC[C@]2(C1)CN(Cc1ccccc1)C[C@@H](C)O2	ZINC000880498577	979246246	/nfs/dbraw/zinc/24/62/46/979246246.db2.gz	NCWUCBYTEAOXHS-NQIIRXRSSA-N	1	0	355.482	1.491	20	30		FDEDRO
C#C[C@@](C)(CC)[NH2+][C@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F	ZINC000852098107	979350244	/nfs/dbraw/zinc/35/02/44/979350244.db2.gz	FSCMXQZQFRNGNJ-QGHHPUGFSA-N	1	0	355.360	1.939	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)CC1	ZINC000880657845	979376900	/nfs/dbraw/zinc/37/69/00/979376900.db2.gz	PGAVWJNMZUTCSQ-HXUWFJFHSA-N	1	0	350.466	1.941	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000968017401	1014579067	/nfs/dbraw/zinc/57/90/67/1014579067.db2.gz	MXOIPMYOCAFACR-DOTOQJQBSA-N	1	0	357.458	1.290	20	30		FDEDRO
C#CCC[C@@H](O)CNC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000881130164	979703296	/nfs/dbraw/zinc/70/32/96/979703296.db2.gz	XFCWAUUEYVSMPB-RBUKOAKNSA-N	1	0	356.470	1.867	20	30		FDEDRO
C[C@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)CCN1c1cc[nH+]cc1	ZINC000881635198	980033049	/nfs/dbraw/zinc/03/30/49/980033049.db2.gz	IIPPNNDRCCXTFK-HNNXBMFYSA-N	1	0	363.421	1.420	20	30		FDEDRO
N#C[C@]1(C(=O)NCCC2(O)CC[NH+](Cc3ccccc3)CC2)CCCOC1	ZINC000882384734	980606324	/nfs/dbraw/zinc/60/63/24/980606324.db2.gz	SRTMFSJJQVMKGH-HXUWFJFHSA-N	1	0	371.481	1.840	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC1	ZINC000882521749	980697989	/nfs/dbraw/zinc/69/79/89/980697989.db2.gz	PJVRHJLDWBFSOR-UHFFFAOYSA-N	1	0	355.482	1.424	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(CC)C(=O)C23CC[NH+](CC2)C3)C1	ZINC000968164835	1014709423	/nfs/dbraw/zinc/70/94/23/1014709423.db2.gz	WUCUYRWAYXUTET-SJORKVTESA-N	1	0	361.486	1.123	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000968182994	1014720442	/nfs/dbraw/zinc/72/04/42/1014720442.db2.gz	XWIFGHGSTYMVRJ-MSOLQXFVSA-N	1	0	368.437	1.598	20	30		FDEDRO
CN(C)c1cc(F)c(C[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1F	ZINC000858137013	981854362	/nfs/dbraw/zinc/85/43/62/981854362.db2.gz	CWGFPDVTFAJLAG-MSUUIHNZSA-N	1	0	350.369	1.647	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)cc1	ZINC000858221818	981924486	/nfs/dbraw/zinc/92/44/86/981924486.db2.gz	KITBTXNHHNBAFN-NRFANRHFSA-N	1	0	372.513	1.742	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)Nc1ccc(Br)c(C#N)n1	ZINC000883092233	981936229	/nfs/dbraw/zinc/93/62/29/981936229.db2.gz	JFCWYYMCJXYTTE-UHFFFAOYSA-N	1	0	370.251	1.806	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1	ZINC000883105643	981950082	/nfs/dbraw/zinc/95/00/82/981950082.db2.gz	QSJMTFVVQAXOAF-UHFFFAOYSA-N	1	0	359.470	1.687	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000858275366	981954789	/nfs/dbraw/zinc/95/47/89/981954789.db2.gz	GSOPJUKHBXHGQQ-WOJBJXKFSA-N	1	0	372.513	1.703	20	30		FDEDRO
C#CC[C@@H](CO)[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1	ZINC000883123921	981965445	/nfs/dbraw/zinc/96/54/45/981965445.db2.gz	PIZCODNSVSEOQQ-INIZCTEOSA-N	1	0	352.862	1.525	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CCC(CC)([NH+]2CCOCC2)CC1)C1CCOCC1	ZINC000858619735	982160786	/nfs/dbraw/zinc/16/07/86/982160786.db2.gz	SYXLBMKYUUGLKA-GOSISDBHSA-N	1	0	363.502	1.701	20	30		FDEDRO
C=CCCc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc1	ZINC000883465129	982168283	/nfs/dbraw/zinc/16/82/83/982168283.db2.gz	HFMQCKLDBYAEGD-INIZCTEOSA-N	1	0	365.499	1.281	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1	ZINC000883609056	982305959	/nfs/dbraw/zinc/30/59/59/982305959.db2.gz	NBFZLHDLMQLPGN-HUUCEWRRSA-N	1	0	355.442	1.324	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1	ZINC000858870876	982344015	/nfs/dbraw/zinc/34/40/15/982344015.db2.gz	RHXUPRKWMLDJMZ-GOSISDBHSA-N	1	0	354.454	1.923	20	30		FDEDRO
C#C[C@H]1CC[C@H](NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC1	ZINC000883767707	982454577	/nfs/dbraw/zinc/45/45/77/982454577.db2.gz	JZVZEZSDOYBHHC-QAQDUYKDSA-N	1	0	360.502	1.694	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1	ZINC000859024771	982464197	/nfs/dbraw/zinc/46/41/97/982464197.db2.gz	JMQJQDGXNZDFBP-GOSISDBHSA-N	1	0	364.534	1.615	20	30		FDEDRO
C#C[C@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CCOCC1	ZINC000883780334	982465305	/nfs/dbraw/zinc/46/53/05/982465305.db2.gz	OMGAFCRQMDCKIW-FQEVSTJZSA-N	1	0	370.497	1.666	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCC([NH2+]C3CCOCC3)CC1)C2	ZINC000883805469	982484400	/nfs/dbraw/zinc/48/44/00/982484400.db2.gz	HUQMJFDSWICZSR-FQEVSTJZSA-N	1	0	368.481	1.968	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)NCc2ccco2)CC1	ZINC001202559986	982560112	/nfs/dbraw/zinc/56/01/12/982560112.db2.gz	WQRJPBSKVSNYPH-SJORKVTESA-N	1	0	361.442	1.068	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H](C)O2)CC1	ZINC001202574994	982612932	/nfs/dbraw/zinc/61/29/32/982612932.db2.gz	DNTPAKGEYHRLNP-SOLBZPMBSA-N	1	0	365.518	1.948	20	30		FDEDRO
CCOC(=O)N1CCC([C@@H](C)[NH2+]C[C@H](O)CC2(C#N)CCOCC2)CC1	ZINC000859260301	982654938	/nfs/dbraw/zinc/65/49/38/982654938.db2.gz	QNHMYNNRLMZKCE-NVXWUHKLSA-N	1	0	367.490	1.904	20	30		FDEDRO
COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1	ZINC000859302184	982695894	/nfs/dbraw/zinc/69/58/94/982695894.db2.gz	MOQRXBWNIIHMBY-CZUORRHYSA-N	1	0	372.343	1.725	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CCCC[C@H]2COC(=O)NC2CC2)CCOCC1	ZINC000859307370	982699822	/nfs/dbraw/zinc/69/98/22/982699822.db2.gz	VCQXOYHLUISRAV-IRXDYDNUSA-N	1	0	365.474	1.801	20	30		FDEDRO
CCCCCCCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1	ZINC000859360672	982745948	/nfs/dbraw/zinc/74/59/48/982745948.db2.gz	LTFCXSPGKQECCK-ZWKOTPCHSA-N	1	0	366.550	1.557	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1	ZINC000884045023	982749683	/nfs/dbraw/zinc/74/96/83/982749683.db2.gz	DZNNQTGUNZOGNW-UHFFFAOYSA-N	1	0	373.501	1.446	20	30		FDEDRO
CCN(CC(=O)Nc1cccc(OC)c1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884052431	982768529	/nfs/dbraw/zinc/76/85/29/982768529.db2.gz	OJWONBDOKKOQDE-RDYUPDBUSA-N	1	0	370.453	1.622	20	30		FDEDRO
CN(C)C(=O)COc1ccc(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1	ZINC000884073508	982821423	/nfs/dbraw/zinc/82/14/23/982821423.db2.gz	MBULWRSPZNSXLC-SHYRYGCCSA-N	1	0	356.426	1.231	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NCc2cccc(OCC[NH+](C)C)c2)C1	ZINC000884072906	982822060	/nfs/dbraw/zinc/82/20/60/982822060.db2.gz	STEGHFVVEDTVMM-SFHVURJKSA-N	1	0	358.486	1.524	20	30		FDEDRO
C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NCCNc1ccc(C#N)cn1	ZINC000884080079	982835875	/nfs/dbraw/zinc/83/58/75/982835875.db2.gz	KLYBTVUVCINWEY-OAHLLOKOSA-N	1	0	365.441	1.680	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1ccc(=O)n(Cc3ccccc3)c1)C2	ZINC000884081974	982838283	/nfs/dbraw/zinc/83/82/83/982838283.db2.gz	PUYLONBQSYXWJS-BQIYRTECSA-N	1	0	362.433	1.974	20	30		FDEDRO
CN(CC(=O)Nc1cccc(Cl)c1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884090729	982850565	/nfs/dbraw/zinc/85/05/65/982850565.db2.gz	DMIHDYHRPBZKBD-YNAXMUEKSA-N	1	0	360.845	1.876	20	30		FDEDRO
C#CCN1CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC1	ZINC000116762799	982855191	/nfs/dbraw/zinc/85/51/91/982855191.db2.gz	PVVKSLZEOLNKOJ-UHFFFAOYSA-N	1	0	354.498	1.366	20	30		FDEDRO
COc1cc2c(cc1OC)CCN(C(=O)C1CC3(C1)C[NH2+]C[C@H]3C#N)CC2	ZINC000884105739	982874306	/nfs/dbraw/zinc/87/43/06/982874306.db2.gz	WXNLPEGAXUEHFR-BQIYRTECSA-N	1	0	369.465	1.770	20	30		FDEDRO
CCOC(=O)[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)Cc1ccccc1	ZINC000884107853	982877483	/nfs/dbraw/zinc/87/74/83/982877483.db2.gz	HJZFPIJPQMAELC-BXAPWLEFSA-N	1	0	369.465	1.664	20	30		FDEDRO
COC(=O)[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)Cc1cccc(C)c1	ZINC000884129923	982912395	/nfs/dbraw/zinc/91/23/95/982912395.db2.gz	UBCMWRAMZYJNCI-BXAPWLEFSA-N	1	0	369.465	1.582	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCCC(=O)N1Cc3ccccc3C1)C2	ZINC000884135530	982918730	/nfs/dbraw/zinc/91/87/30/982918730.db2.gz	MLXDQKZXUPIDNK-IDYZSHNDSA-N	1	0	366.465	1.565	20	30		FDEDRO
CC(C)Oc1cccc([C@H](O)CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c1	ZINC000884144571	982925171	/nfs/dbraw/zinc/92/51/71/982925171.db2.gz	NWHRIMJWJVZHPN-CAZWYBIWSA-N	1	0	357.454	1.763	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCN(c3ccc(Cl)cc3)C1=O)C2	ZINC000884149256	982927942	/nfs/dbraw/zinc/92/79/42/982927942.db2.gz	GPGWSRJTUBPLOK-HCZHPHPMSA-N	1	0	372.856	1.701	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)N[C@H]2CC[N@@H+](CCCOCC)C[C@H]2C)C1	ZINC000884152661	982931401	/nfs/dbraw/zinc/93/14/01/982931401.db2.gz	QTMCOGZCAWKWOI-QYZOEREBSA-N	1	0	364.534	1.520	20	30		FDEDRO
CCOc1cc(C(=O)N(C)C)ccc1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884163368	982939584	/nfs/dbraw/zinc/93/95/84/982939584.db2.gz	DWGNXJMWVYGAAL-CHWWFWEZSA-N	1	0	370.453	1.865	20	30		FDEDRO
C[C@@H]([NH3+])CN(C)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1	ZINC000859636099	982952161	/nfs/dbraw/zinc/95/21/61/982952161.db2.gz	WQVBHRXZVVPKMC-WGBIJJAVSA-N	1	0	367.475	1.310	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCCN(Cc3ccc(F)cc3)CC1)C2	ZINC000884182895	982959421	/nfs/dbraw/zinc/95/94/21/982959421.db2.gz	XERPLIRGHRKNPB-WBTXTPOCSA-N	1	0	370.472	1.999	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1	ZINC000884186138	982962091	/nfs/dbraw/zinc/96/20/91/982962091.db2.gz	QXWSDXCJVCTXGS-SFHVURJKSA-N	1	0	359.470	1.522	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1	ZINC000884202959	982978412	/nfs/dbraw/zinc/97/84/12/982978412.db2.gz	MGAIDGRVLKNUKM-HOCLYGCPSA-N	1	0	365.499	1.523	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1	ZINC000884205289	982981064	/nfs/dbraw/zinc/98/10/64/982981064.db2.gz	RNMKXPZUUBZYEO-BBWFWOEESA-N	1	0	351.491	1.546	20	30		FDEDRO
COc1cccc(N2CC[C@@H](NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)C2)c1	ZINC000884210280	982986753	/nfs/dbraw/zinc/98/67/53/982986753.db2.gz	VNGXZKGEQMBCLI-QNBXZPKWSA-N	1	0	354.454	1.529	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1	ZINC000884214233	982991765	/nfs/dbraw/zinc/99/17/65/982991765.db2.gz	WVFJPYAGVZSQSQ-YJBOKZPZSA-N	1	0	359.470	1.775	20	30		FDEDRO
Cn1c(CCCNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)nc2ccccc21	ZINC000884222857	982996591	/nfs/dbraw/zinc/99/65/91/982996591.db2.gz	CESCNEDTZPKESX-RDYUPDBUSA-N	1	0	351.454	1.761	20	30		FDEDRO
N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cc2cccc(C(F)(F)F)c2[nH]c1=O	ZINC000884250586	983026892	/nfs/dbraw/zinc/02/68/92/983026892.db2.gz	JABOBUNAGQPZHM-BXKDBHETSA-N	1	0	350.300	1.801	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)C2Cc3ccccc3C2)CC1	ZINC000332310395	983032138	/nfs/dbraw/zinc/03/21/38/983032138.db2.gz	HORBUZWWSNAWCR-HXUWFJFHSA-N	1	0	354.498	1.778	20	30		FDEDRO
COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884307110	983071871	/nfs/dbraw/zinc/07/18/71/983071871.db2.gz	YRQBMDZTNQBMFZ-TYJOOELLSA-N	1	0	369.465	1.964	20	30		FDEDRO
Cc1ccccc1[C@H]1C(=O)NCCN1C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884315824	983077968	/nfs/dbraw/zinc/07/79/68/983077968.db2.gz	BECQYZDJQCAKDX-RHELOZEPSA-N	1	0	352.438	1.134	20	30		FDEDRO
CCOC(=O)N1CCC([C@@H](C)NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1	ZINC000884319560	983080388	/nfs/dbraw/zinc/08/03/88/983080388.db2.gz	XVBWVVJAGRBXEC-DOHUUOFWSA-N	1	0	362.474	1.499	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1	ZINC000884470861	983174001	/nfs/dbraw/zinc/17/40/01/983174001.db2.gz	DDCLWVRPXDSVMH-LFDOHDQPSA-N	1	0	367.428	1.485	20	30		FDEDRO
C=CCc1cc(OC)cc(C[NH+]2CCC(O)(COCCO)CC2)c1O	ZINC000884477909	983181022	/nfs/dbraw/zinc/18/10/22/983181022.db2.gz	LAVSZYSSEIPTLE-UHFFFAOYSA-N	1	0	351.443	1.465	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F)c1ccc(C#N)cc1	ZINC000884542278	983233513	/nfs/dbraw/zinc/23/35/13/983233513.db2.gz	ZNJRWENUFLNFGA-BXUZGUMPSA-N	1	0	350.369	1.096	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)COC(=O)Cc2ccccc2CC#N)CC1	ZINC000777165367	983604430	/nfs/dbraw/zinc/60/44/30/983604430.db2.gz	ZKAOONOBHSGJCZ-UHFFFAOYSA-N	1	0	357.454	1.827	20	30		FDEDRO
CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C1	ZINC000861341965	983693347	/nfs/dbraw/zinc/69/33/47/983693347.db2.gz	TYSIHMOYZRFDBF-AUUYWEPGSA-N	1	0	361.442	1.861	20	30		FDEDRO
CC[C@H](C#N)Oc1cc(CNC(=O)NC[C@@H]2COCC[NH2+]2)ccc1OC	ZINC000861578506	983783973	/nfs/dbraw/zinc/78/39/73/983783973.db2.gz	QIBOCEFPRRCUFA-HUUCEWRRSA-N	1	0	362.430	1.164	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C(F)F)n(C)n1)C2	ZINC001110806278	983838402	/nfs/dbraw/zinc/83/84/02/983838402.db2.gz	HTWMTZRTXRWIOG-BZPMIXESSA-N	1	0	354.401	1.895	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1	ZINC000861733288	983880356	/nfs/dbraw/zinc/88/03/56/983880356.db2.gz	UUHSOOZIHJZOLS-HUUCEWRRSA-N	1	0	367.371	1.270	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1	ZINC000862092744	984106849	/nfs/dbraw/zinc/10/68/49/984106849.db2.gz	ZZJNXDLZKIYQGK-QGZVFWFLSA-N	1	0	355.438	1.770	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(CC)[nH]c(=O)c1)C2	ZINC001110820235	984390673	/nfs/dbraw/zinc/39/06/73/984390673.db2.gz	OCWWMOJQPFBRAE-DXEWXGHRSA-N	1	0	372.469	1.375	20	30		FDEDRO
CCCCCCCCNC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1	ZINC000884668584	984672580	/nfs/dbraw/zinc/67/25/80/984672580.db2.gz	WZCKOOWDDAWMQX-UHFFFAOYSA-N	1	0	352.504	1.963	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000885097214	985173571	/nfs/dbraw/zinc/17/35/71/985173571.db2.gz	ULZOADMNFSBEET-YESZJQIVSA-N	1	0	365.518	1.840	20	30		FDEDRO
C=CCCC[C@H](NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)c1ccccc1	ZINC000885218425	985249438	/nfs/dbraw/zinc/24/94/38/985249438.db2.gz	VLXBAVZUJPWAAD-MSOLQXFVSA-N	1	0	359.470	1.776	20	30		FDEDRO
CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1	ZINC000869777570	985325514	/nfs/dbraw/zinc/32/55/14/985325514.db2.gz	JNBIGQAUHFOJEU-HOTGVXAUSA-N	1	0	374.460	1.485	20	30		FDEDRO
O=C(NCC[NH2+]Cc1ccccc1OCC(F)F)C1N=CC=CC1=O	ZINC000885985691	985820444	/nfs/dbraw/zinc/82/04/44/985820444.db2.gz	NZDOYZRVWHXAIA-WUKNDPDISA-N	1	0	351.353	1.947	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)Cn1ccc(Br)cc1=O	ZINC000870245196	985835632	/nfs/dbraw/zinc/83/56/32/985835632.db2.gz	QQNUAORWTWXEOP-CYBMUJFWSA-N	1	0	369.259	1.888	20	30		FDEDRO
CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H]3CS(=O)(=O)C[C@@]3(C#N)C2)o1	ZINC000886204031	985966364	/nfs/dbraw/zinc/96/63/64/985966364.db2.gz	OTVZNBMQIUPKIA-CXAGYDPISA-N	1	0	365.455	1.132	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH+]2CCN(c3ccc(F)cc3C(N)=O)CC2)CCC1	ZINC000886295673	986043787	/nfs/dbraw/zinc/04/37/87/986043787.db2.gz	GQCQVSDFJHQDFX-OAHLLOKOSA-N	1	0	360.433	1.491	20	30		FDEDRO
CN(C[C@@H](O)C[N@H+](C)C[C@H](O)CC1(C#N)CCC1)C(=O)OC(C)(C)C	ZINC000886304196	986050683	/nfs/dbraw/zinc/05/06/83/986050683.db2.gz	QFCUCBMUJOSNIR-CABCVRRESA-N	1	0	355.479	1.591	20	30		FDEDRO
CC(C)[C@@H](C[NH+](C)C)OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000870570509	986127827	/nfs/dbraw/zinc/12/78/27/986127827.db2.gz	BUXAMVZBSIOMKM-MRXNPFEDSA-N	1	0	367.471	1.622	20	30		FDEDRO
C#CC[N@H+](C[C@@H](O)CC(C)(C)O)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886426361	986203009	/nfs/dbraw/zinc/20/30/09/986203009.db2.gz	UIOISTMIUBSNBP-INIZCTEOSA-N	1	0	354.491	1.843	20	30		FDEDRO
C#CCN(C(=O)CC1(C(=O)OCC)CCOCC1)C1CC[NH+](C)CC1	ZINC000886572752	986372117	/nfs/dbraw/zinc/37/21/17/986372117.db2.gz	YVGQOPDUSYUSOP-UHFFFAOYSA-N	1	0	350.459	1.292	20	30		FDEDRO
C#CCN(C(=O)c1ccc(OCc2nc(C)no2)nc1)C1CC[NH+](C)CC1	ZINC000886572740	986373049	/nfs/dbraw/zinc/37/30/49/986373049.db2.gz	YOMLXLKTPCBTFD-UHFFFAOYSA-N	1	0	369.425	1.522	20	30		FDEDRO
C#CCN(C(=O)CNc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](C)CC1	ZINC000886574780	986373661	/nfs/dbraw/zinc/37/36/61/986373661.db2.gz	SYFNHVOKFORCLZ-UHFFFAOYSA-N	1	0	363.483	1.058	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2)C1CC[NH+](C)CC1	ZINC000886577863	986379298	/nfs/dbraw/zinc/37/92/98/986379298.db2.gz	ZZSBCIWAOLBIPM-INIZCTEOSA-N	1	0	361.486	1.799	20	30		FDEDRO
C#CCN(C(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2)C1CC[NH+](C)CC1	ZINC000886577864	986379324	/nfs/dbraw/zinc/37/93/24/986379324.db2.gz	ZZSBCIWAOLBIPM-MRXNPFEDSA-N	1	0	361.486	1.799	20	30		FDEDRO
C#CCN(C(=O)CN(CCOC)C(=O)OC(C)(C)C)C1CC[NH+](C)CC1	ZINC000886581301	986383524	/nfs/dbraw/zinc/38/35/24/986383524.db2.gz	RTRTTXAPLBPVSA-UHFFFAOYSA-N	1	0	367.490	1.426	20	30		FDEDRO
C#CCN(C(=O)CCNC(=O)c1[nH]nc2ccccc21)C1CC[NH+](C)CC1	ZINC000886582174	986385805	/nfs/dbraw/zinc/38/58/05/986385805.db2.gz	IVGTYPRDVHLGDT-UHFFFAOYSA-N	1	0	367.453	1.239	20	30		FDEDRO
C#CCN(C(=O)CN1c2ccccc2O[C@@H](C)C1=O)C1CC[NH+](C)CC1	ZINC000886585074	986388995	/nfs/dbraw/zinc/38/89/95/986388995.db2.gz	GQPCSTKSYRIGMI-HNNXBMFYSA-N	1	0	355.438	1.357	20	30		FDEDRO
COc1cc(I)ccc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N	ZINC000870940628	986526336	/nfs/dbraw/zinc/52/63/36/986526336.db2.gz	LCVHYYKBIXOXJR-KWQFWETISA-N	1	0	371.178	1.141	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CCN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1	ZINC000870981982	986559022	/nfs/dbraw/zinc/55/90/22/986559022.db2.gz	UONAMQWRLOJSTJ-CYBMUJFWSA-N	1	0	368.416	1.460	20	30		FDEDRO
COC(=O)C1CC2(C1)C[N@H+](CCOCCC#N)C[C@@H]2C(=O)OC(C)(C)C	ZINC000886883820	986687330	/nfs/dbraw/zinc/68/73/30/986687330.db2.gz	NOOIJASXGSQHME-XAUUPUKJSA-N	1	0	366.458	1.760	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]Cc2ccc(CN3CCNC3=O)cc2)CCOCC1	ZINC000872235676	987534763	/nfs/dbraw/zinc/53/47/63/987534763.db2.gz	YNWBUGNGRAEWOA-GOSISDBHSA-N	1	0	372.469	1.373	20	30		FDEDRO
CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+][C@H]1Cc2ccc(C#N)cc2C1	ZINC000872237949	987535613	/nfs/dbraw/zinc/53/56/13/987535613.db2.gz	BZMKVISKQDZGFR-INIZCTEOSA-N	1	0	364.467	1.372	20	30		FDEDRO
C[C@H]1C(N=Nc2ccc(S(=O)(=O)N3CCCCC3)cn2)CC[N@@H+]1C	ZINC000872335889	987609081	/nfs/dbraw/zinc/60/90/81/987609081.db2.gz	ZQUQEYXXONSYMQ-ZDUSSCGKSA-N	1	0	351.476	1.748	20	30		FDEDRO
C[NH+]1CCC(CN=Nc2ccccc2S(=O)(=O)N2CCOCC2)CC1	ZINC000872353900	987615484	/nfs/dbraw/zinc/61/54/84/987615484.db2.gz	QNVTUHABMTZPPO-UHFFFAOYSA-N	1	0	366.487	1.447	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c(C#N)c1	ZINC000872449250	987669019	/nfs/dbraw/zinc/66/90/19/987669019.db2.gz	NFPIUHZWKAVQGJ-QGZVFWFLSA-N	1	0	362.499	1.267	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2c(C)cccc2C#N)C1	ZINC000872459033	987681435	/nfs/dbraw/zinc/68/14/35/987681435.db2.gz	PJMNFMVEKIRYDJ-QGZVFWFLSA-N	1	0	365.499	1.988	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(C#N)c1	ZINC000872462641	987686112	/nfs/dbraw/zinc/68/61/12/987686112.db2.gz	FHWJVQWMFPEXPD-GVDBMIGSSA-N	1	0	363.483	1.739	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1	ZINC000872478744	987703563	/nfs/dbraw/zinc/70/35/63/987703563.db2.gz	ASMJZZZEMPYHPQ-HNNXBMFYSA-N	1	0	351.472	1.646	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000292916981	987931936	/nfs/dbraw/zinc/93/19/36/987931936.db2.gz	NXSJUMRXBXVQEH-GOSISDBHSA-N	1	0	354.454	1.507	20	30		FDEDRO
C[C@@H](C#N)CN(C)C(=O)C(=O)N(CCCc1ccccc1)CC[NH+](C)C	ZINC000298973571	987994223	/nfs/dbraw/zinc/99/42/23/987994223.db2.gz	GALRIYQGNBHIGR-KRWDZBQOSA-N	1	0	358.486	1.627	20	30		FDEDRO
N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@H+]2CCC[C@@H](O)CC2)CC1	ZINC000293309699	988028180	/nfs/dbraw/zinc/02/81/80/988028180.db2.gz	WZGZDRAIHZRYSX-MOPGFXCFSA-N	1	0	374.460	1.381	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000293310390	988029418	/nfs/dbraw/zinc/02/94/18/988029418.db2.gz	ICQLVORDOIFTAM-UHFFFAOYSA-N	1	0	356.426	1.379	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccnn1Cc1ccc(C)s1	ZINC000293422807	988069847	/nfs/dbraw/zinc/06/98/47/988069847.db2.gz	QCBNDGXNMUBESK-UHFFFAOYSA-N	1	0	373.482	1.311	20	30		FDEDRO
N#CCCN(CCN1CCOCC1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1	ZINC000365803626	988098353	/nfs/dbraw/zinc/09/83/53/988098353.db2.gz	YUSOLWGCTRZLJS-GOSISDBHSA-N	1	0	362.518	1.715	20	30		FDEDRO
CC(C)CCN(CCC#N)C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1	ZINC000365927383	988232662	/nfs/dbraw/zinc/23/26/62/988232662.db2.gz	JEYTXQLELLURTJ-UHFFFAOYSA-N	1	0	374.489	1.877	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@H](C)NC(=O)/C=C/c1ccc(OC)cc1	ZINC000293923406	988260429	/nfs/dbraw/zinc/26/04/29/988260429.db2.gz	HENXGWJTBMWYGI-YHVDPYDOSA-N	1	0	357.454	1.284	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1	ZINC000293961171	988269817	/nfs/dbraw/zinc/26/98/17/988269817.db2.gz	LDGREFCCPUNTOW-IBGZPJMESA-N	1	0	355.482	1.919	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)ccc1F	ZINC000361390210	988361386	/nfs/dbraw/zinc/36/13/86/988361386.db2.gz	FGUSBLPFFBEORX-LXZKKBNFSA-N	1	0	356.401	1.579	20	30		FDEDRO
C[NH+](C)CCc1ccc(CNC(=O)C(=O)Nc2ccc(C#N)cn2)cc1	ZINC000294525878	988451210	/nfs/dbraw/zinc/45/12/10/988451210.db2.gz	ZOAQJFVEPRCLPI-UHFFFAOYSA-N	1	0	351.410	1.312	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CCN(C(=O)NCCCC[NH+]3CCCC3)C2)nc1	ZINC000366171222	988505154	/nfs/dbraw/zinc/50/51/54/988505154.db2.gz	IAYLVQZZCLFLFX-KRWDZBQOSA-N	1	0	357.458	1.992	20	30		FDEDRO
CO[C@H]1COCC[C@H]1CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000294770513	988536589	/nfs/dbraw/zinc/53/65/89/988536589.db2.gz	QWFDFMCJJCNAFR-OALUTQOASA-N	1	0	359.470	1.890	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Cl	ZINC000873102842	988550256	/nfs/dbraw/zinc/55/02/56/988550256.db2.gz	AZYAMCVSAZCDTJ-ONGXEEELSA-N	1	0	374.750	1.746	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1	ZINC000362066318	988572675	/nfs/dbraw/zinc/57/26/75/988572675.db2.gz	MYDWVVOKFRFQNO-ZWOKBUDYSA-N	1	0	370.497	1.810	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@]2(O)CCCc3ccc(OC)cc32)CC1	ZINC000362391656	988649648	/nfs/dbraw/zinc/64/96/48/988649648.db2.gz	HWQXJMFWXHKMGE-OAQYLSRUSA-N	1	0	356.466	1.681	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)Cc3ccc(C)cc3)CC2)CC1	ZINC000299705696	988694609	/nfs/dbraw/zinc/69/46/09/988694609.db2.gz	XGCPMOJKVHWQCA-UHFFFAOYSA-N	1	0	367.493	1.554	20	30		FDEDRO
Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H]3C(=O)NC(=O)[C@H]3C2)cc1C	ZINC000366447700	988702725	/nfs/dbraw/zinc/70/27/25/988702725.db2.gz	USXMAESLHGHRJC-SJORKVTESA-N	1	0	368.437	1.145	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+](C)[C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)C1=O	ZINC000366881520	988831688	/nfs/dbraw/zinc/83/16/88/988831688.db2.gz	JNVIRCIYMGMZRK-YZGWKJHDSA-N	1	0	357.498	1.995	20	30		FDEDRO
C[C@@H](O)C[N@@H+]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@@H](C)C1	ZINC000367050561	988908551	/nfs/dbraw/zinc/90/85/51/988908551.db2.gz	QIVRLVNCGMIKML-JKSUJKDBSA-N	1	0	353.470	1.846	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1cc(N(C)C)ncn1)C(C)C	ZINC000296028707	988918238	/nfs/dbraw/zinc/91/82/38/988918238.db2.gz	NYSICNBBGPNALB-HNNXBMFYSA-N	1	0	374.489	1.296	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1C#N	ZINC000873654036	988939471	/nfs/dbraw/zinc/93/94/71/988939471.db2.gz	VGDAJJLLOYQUQI-KRWDZBQOSA-N	1	0	366.421	1.924	20	30		FDEDRO
N#Cc1cccc(/C=C/C(=O)NC[C@@]2(N3CCOCC3)CCCOC2)c1	ZINC000363160350	988963516	/nfs/dbraw/zinc/96/35/16/988963516.db2.gz	CZVQADLNXICXQQ-XJDXJNMNSA-N	1	0	355.438	1.569	20	30		FDEDRO
N#Cc1cccc(/C=C/C(=O)NC[C@]2(N3CCOCC3)CCCOC2)c1	ZINC000363160349	988963548	/nfs/dbraw/zinc/96/35/48/988963548.db2.gz	CZVQADLNXICXQQ-RRFGBZISSA-N	1	0	355.438	1.569	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1	ZINC000368069114	988976972	/nfs/dbraw/zinc/97/69/72/988976972.db2.gz	DUULKSFULJUAEW-IUIKQTSFSA-N	1	0	366.412	1.700	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1C#N	ZINC000873708500	989032011	/nfs/dbraw/zinc/03/20/11/989032011.db2.gz	RMPIDUFGGDIAEF-KRWDZBQOSA-N	1	0	370.453	1.982	20	30		FDEDRO
CCCN1CC[NH+](C2CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC2)CC1	ZINC000369153425	989032340	/nfs/dbraw/zinc/03/23/40/989032340.db2.gz	CUIHPLOAEATYKS-HXUWFJFHSA-N	1	0	363.550	1.533	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)N[C@H]3CC[C@@H](CC#N)C3)ccn2)CC1	ZINC000296229775	989056126	/nfs/dbraw/zinc/05/61/26/989056126.db2.gz	JULALTXSAZDJMF-RDJZCZTQSA-N	1	0	356.474	1.715	20	30		FDEDRO
CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)Nc1nn(C(C)C)cc1C#N	ZINC000369515005	989056982	/nfs/dbraw/zinc/05/69/82/989056982.db2.gz	GHOUVEGZKJIUIY-HOTGVXAUSA-N	1	0	372.473	1.749	20	30		FDEDRO
Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000873734251	989087239	/nfs/dbraw/zinc/08/72/39/989087239.db2.gz	UZWMDGZSILNMAD-AWEZNQCLSA-N	1	0	374.416	1.125	20	30		FDEDRO
C#Cc1ccc(CNC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1	ZINC000296277638	989092007	/nfs/dbraw/zinc/09/20/07/989092007.db2.gz	CTJQREGFWZMLQA-SFHVURJKSA-N	1	0	356.470	1.410	20	30		FDEDRO
C#CC1CCN(C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)CC1	ZINC000825693046	989102917	/nfs/dbraw/zinc/10/29/17/989102917.db2.gz	RDXWFDPEEUDXPY-UHFFFAOYSA-N	1	0	354.498	1.989	20	30		FDEDRO
N#Cc1ncn(C2CC[NH+](CC(=O)N3CCC[C@@H]4CCCC[C@@H]43)CC2)n1	ZINC000369729459	989126193	/nfs/dbraw/zinc/12/61/93/989126193.db2.gz	KPPQWXZVCUDQNH-RDJZCZTQSA-N	1	0	356.474	1.968	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)CC1	ZINC000369758152	989149762	/nfs/dbraw/zinc/14/97/62/989149762.db2.gz	UEROHPLELOENHF-MRXNPFEDSA-N	1	0	354.454	1.034	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000363402502	989167058	/nfs/dbraw/zinc/16/70/58/989167058.db2.gz	MICJQAIDTBBSEZ-QZTJIDSGSA-N	1	0	359.470	1.992	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)N1CCCN(c2ccc(C#N)cc2)CC1	ZINC000369788702	989176853	/nfs/dbraw/zinc/17/68/53/989176853.db2.gz	GBCVASDEPGOHHC-UHFFFAOYSA-N	1	0	373.501	1.748	20	30		FDEDRO
C[C@@H]1[C@H](O)CCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000296400641	989177783	/nfs/dbraw/zinc/17/77/83/989177783.db2.gz	USOKMTDSSKYSKL-ATZDWAIDSA-N	1	0	374.460	1.380	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(OC)c(C#N)c2)[C@@H](C)C1	ZINC000873831447	989274627	/nfs/dbraw/zinc/27/46/27/989274627.db2.gz	UVRVYGZGCBUNTF-BBRMVZONSA-N	1	0	358.442	1.694	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)nc3)C[C@H]2[C@H]1c1ccccc1	ZINC000363555209	989293217	/nfs/dbraw/zinc/29/32/17/989293217.db2.gz	FBSIRSNNIXELCK-ATZDWAIDSA-N	1	0	368.462	1.877	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCN(C(=O)c2ccc(C)c(F)c2)CC1	ZINC000297067547	989470507	/nfs/dbraw/zinc/47/05/07/989470507.db2.gz	YNGWOKBCPRUCHH-UHFFFAOYSA-N	1	0	374.460	1.557	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)[C@@H]2C1	ZINC000364024463	989479991	/nfs/dbraw/zinc/47/99/91/989479991.db2.gz	ZAJRYXMPRBMXAF-CZUORRHYSA-N	1	0	351.414	1.697	20	30		FDEDRO
CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1	ZINC000364074883	989488781	/nfs/dbraw/zinc/48/87/81/989488781.db2.gz	ULYZICYAUKHTCR-RBUKOAKNSA-N	1	0	354.454	1.650	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)NC2CCN(CC[NH+](C)C)CC2)cc1	ZINC000297322980	989514501	/nfs/dbraw/zinc/51/45/01/989514501.db2.gz	GDFWGNDSSJCJCW-UHFFFAOYSA-N	1	0	358.486	1.524	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)CC1	ZINC000364425693	989564799	/nfs/dbraw/zinc/56/47/99/989564799.db2.gz	NPDAZDOGJITIQB-LJQANCHMSA-N	1	0	371.525	1.973	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)cc1	ZINC000364438648	989569856	/nfs/dbraw/zinc/56/98/56/989569856.db2.gz	FBDMXQQLJXDOAI-HRAATJIYSA-N	1	0	363.417	1.894	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)C1=O	ZINC000370242928	989585396	/nfs/dbraw/zinc/58/53/96/989585396.db2.gz	LCZZGMFPHQGOBM-LSDHHAIUSA-N	1	0	368.466	1.774	20	30		FDEDRO
O=C(C#Cc1cccs1)NCCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000825708677	989671098	/nfs/dbraw/zinc/67/10/98/989671098.db2.gz	LGYINIDHZRUCNH-UHFFFAOYSA-N	1	0	369.494	1.608	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCc3cn(CCOC)nc32)CC1	ZINC000364632060	989687968	/nfs/dbraw/zinc/68/79/68/989687968.db2.gz	KIVFNMWEIIUKBG-QGZVFWFLSA-N	1	0	361.490	1.857	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCCC2CC[NH+](C(C)C)CC2)ncc1C#N	ZINC000874069604	989707849	/nfs/dbraw/zinc/70/78/49/989707849.db2.gz	AYBRBQGZFULVFT-UHFFFAOYSA-N	1	0	357.458	1.827	20	30		FDEDRO
C[C@@H](CO)[N@@H+]1CCCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000364958533	989916583	/nfs/dbraw/zinc/91/65/83/989916583.db2.gz	ZURAGNCFEHUSGM-QFBILLFUSA-N	1	0	356.470	1.442	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1cc(N)nc(Br)c1	ZINC000874192755	989922420	/nfs/dbraw/zinc/92/24/20/989922420.db2.gz	SZYDQKAWNAQCDK-UHFFFAOYSA-N	1	0	354.252	1.734	20	30		FDEDRO
COc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC#Cc2ccccc2)ncn1	ZINC001095423423	990059416	/nfs/dbraw/zinc/05/94/16/990059416.db2.gz	UAENFLUUIWBYSA-AOIWGVFYSA-N	1	0	362.433	1.872	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1	ZINC000365177760	990083341	/nfs/dbraw/zinc/08/33/41/990083341.db2.gz	MAVIMRQEDWTVPJ-FZKQIMNGSA-N	1	0	354.414	1.182	20	30		FDEDRO
Cn1cc([C@H]2[C@H](CNC(=O)COc3ccccc3C#N)CCC[N@@H+]2C)cn1	ZINC000370906452	990112553	/nfs/dbraw/zinc/11/25/53/990112553.db2.gz	VXDVHLDJNMPNCF-OXJNMPFZSA-N	1	0	367.453	1.870	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C	ZINC000968686884	1015537897	/nfs/dbraw/zinc/53/78/97/1015537897.db2.gz	MQIFPQPIEHRMOM-ADHGMGHFSA-N	1	0	361.486	1.264	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N(C)CC[N@H+](C)C1CC1	ZINC000298572113	990165952	/nfs/dbraw/zinc/16/59/52/990165952.db2.gz	NWQMLOIBYCNXBV-UHFFFAOYSA-N	1	0	359.470	1.762	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000371027825	990191426	/nfs/dbraw/zinc/19/14/26/990191426.db2.gz	KZVZMODMVFZJMA-LJQANCHMSA-N	1	0	371.485	1.106	20	30		FDEDRO
C=C(Br)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2	ZINC001095424415	990206991	/nfs/dbraw/zinc/20/69/91/990206991.db2.gz	QBKKLIHVLYTSTE-UGUYLWEFSA-N	1	0	368.319	1.958	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCN(C)CC3)C2)cc1	ZINC000365539578	990282169	/nfs/dbraw/zinc/28/21/69/990282169.db2.gz	WQILILVMNXXMNL-GOSISDBHSA-N	1	0	355.482	1.798	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21	ZINC000298810065	990292589	/nfs/dbraw/zinc/29/25/89/990292589.db2.gz	XQZITQNNQKHIBS-ZWKOTPCHSA-N	1	0	354.454	1.459	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C[NH+](C)C)C(C)C)s1	ZINC000874469019	990311004	/nfs/dbraw/zinc/31/10/04/990311004.db2.gz	YNKBACBARMAYOH-AWEZNQCLSA-N	1	0	373.544	1.457	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000371320591	990357887	/nfs/dbraw/zinc/35/78/87/990357887.db2.gz	GNZUXSVRJNZYPA-ROUUACIJSA-N	1	0	370.453	1.186	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CN(c3ccccc3)C(=O)O2)CC1	ZINC000874597543	990406951	/nfs/dbraw/zinc/40/69/51/990406951.db2.gz	QGTCTMPURWDSIR-SFHVURJKSA-N	1	0	355.438	1.815	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](O)c2cc(OC)ccc2OC)CC1	ZINC000874766585	990526349	/nfs/dbraw/zinc/52/63/49/990526349.db2.gz	UHUKXYVSJBBRSZ-KUHUBIRLSA-N	1	0	360.454	1.587	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)cc1	ZINC000874845403	990571103	/nfs/dbraw/zinc/57/11/03/990571103.db2.gz	GIEZMILSXLIVKC-DLBZAZTESA-N	1	0	363.483	1.460	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1	ZINC000371658010	990603871	/nfs/dbraw/zinc/60/38/71/990603871.db2.gz	RVBCOIMSVCMJNM-KRWDZBQOSA-N	1	0	369.469	1.044	20	30		FDEDRO
C[C@@H]1CN(CC(=O)NCc2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1	ZINC000371695448	990632223	/nfs/dbraw/zinc/63/22/23/990632223.db2.gz	XNBKNQPTMAAMLS-QGZVFWFLSA-N	1	0	369.513	1.275	20	30		FDEDRO
C[C@H](C(=O)N(CCCc1ccccc1)CC[NH+](C)C)n1cnc(C#N)n1	ZINC000409738401	990797861	/nfs/dbraw/zinc/79/78/61/990797861.db2.gz	FNKWQOSDYGYFDT-MRXNPFEDSA-N	1	0	354.458	1.734	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1	ZINC000875061185	990812701	/nfs/dbraw/zinc/81/27/01/990812701.db2.gz	WUBDBHRRQGXPIU-OALUTQOASA-N	1	0	371.481	1.484	20	30		FDEDRO
C=CCNc1ncc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)s1	ZINC000372073438	990913736	/nfs/dbraw/zinc/91/37/36/990913736.db2.gz	WYWKYMQGRPZBIL-BBRMVZONSA-N	1	0	374.514	2.287	20	30		FDEDRO
C[N@H+](CCNC(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O)C1CC1	ZINC000372209904	990962074	/nfs/dbraw/zinc/96/20/74/990962074.db2.gz	MOYBRPLSOCRPBN-DJJJIMSYSA-N	1	0	353.426	1.136	20	30		FDEDRO
CN1CCN(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C[C@@H]1C#N	ZINC000372224106	990969773	/nfs/dbraw/zinc/96/97/73/990969773.db2.gz	WGVSJFZKEDRWDS-SFHVURJKSA-N	1	0	359.449	1.639	20	30		FDEDRO
C[C@@]12CN(C(=O)C(=O)NCCCCC#N)C[C@@H]1C[N@H+](Cc1ccccc1)C2	ZINC000875178221	991013251	/nfs/dbraw/zinc/01/32/51/991013251.db2.gz	OLWQIMVXMWXISJ-GHTZIAJQSA-N	1	0	368.481	1.777	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCC(=O)Nc1ccc(C#N)cc1	ZINC000372339887	991024093	/nfs/dbraw/zinc/02/40/93/991024093.db2.gz	XDYMMVVMBCHPOR-ATZDWAIDSA-N	1	0	356.470	1.976	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000875228433	991141448	/nfs/dbraw/zinc/14/14/48/991141448.db2.gz	DBZWDRPUJBXZEJ-MRXNPFEDSA-N	1	0	350.507	1.086	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CC1	ZINC000372482766	991153602	/nfs/dbraw/zinc/15/36/02/991153602.db2.gz	QDATZNKRKBZAMK-OAHLLOKOSA-N	1	0	362.434	1.788	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)C2(C#N)CCOCC2)[C@@H](c2ccccc2)C1	ZINC000372603771	991258837	/nfs/dbraw/zinc/25/88/37/991258837.db2.gz	BWTSAAUIPMQNKP-GOSISDBHSA-N	1	0	356.470	1.412	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(CCC(=O)Nc3ccccc3C#N)CC2)C1	ZINC000372605610	991263356	/nfs/dbraw/zinc/26/33/56/991263356.db2.gz	IWTXFHQVMPVKKI-SFHVURJKSA-N	1	0	355.486	1.599	20	30		FDEDRO
C=CCN(C(=O)C(=O)Nc1cnn(C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000372643005	991291205	/nfs/dbraw/zinc/29/12/05/991291205.db2.gz	XDWQDLOUYBKYOV-GOSISDBHSA-N	1	0	367.453	1.648	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)C1	ZINC000875308346	991294405	/nfs/dbraw/zinc/29/44/05/991294405.db2.gz	HNAGJWHFXWMJRJ-KRWDZBQOSA-N	1	0	368.441	1.645	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1	ZINC000410431445	991354707	/nfs/dbraw/zinc/35/47/07/991354707.db2.gz	HHQRMWTYJSELST-SFHVURJKSA-N	1	0	372.469	1.086	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N1CCC(C#N)CC1	ZINC000410736436	991750079	/nfs/dbraw/zinc/75/00/79/991750079.db2.gz	NIHZKHCQXSDWBM-QGZVFWFLSA-N	1	0	368.481	1.872	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)Cc2ccc(C#N)cc2)C[C@@H]1C	ZINC000410736914	991750604	/nfs/dbraw/zinc/75/06/04/991750604.db2.gz	PWXXWXCAVBBMID-MAUKXSAKSA-N	1	0	356.470	1.848	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1	ZINC000875604047	991793086	/nfs/dbraw/zinc/79/30/86/991793086.db2.gz	IDBLCOKSTBPFAC-SFHVURJKSA-N	1	0	371.481	1.264	20	30		FDEDRO
COc1ccc(C#N)cc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1nccn1)C2	ZINC001095473842	991916217	/nfs/dbraw/zinc/91/62/17/991916217.db2.gz	STKOZDCWKITLBP-IKGGRYGDSA-N	1	0	366.425	1.080	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2C)CCO1	ZINC000875716477	991937200	/nfs/dbraw/zinc/93/72/00/991937200.db2.gz	URKGBIIXOTUPJF-LJQANCHMSA-N	1	0	373.497	1.737	20	30		FDEDRO
COC(=O)[C@H]1CN([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC12CCC2	ZINC000373146389	991955237	/nfs/dbraw/zinc/95/52/37/991955237.db2.gz	WWWDNKFGBSZNFC-CVEARBPZSA-N	1	0	367.405	1.465	20	30		FDEDRO
N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@@H]2[NH2+]CCN2CCN(c3ncccn3)CC2)O1	ZINC000373224385	992032362	/nfs/dbraw/zinc/03/23/62/992032362.db2.gz	SXQTUYMUEFZDGV-AKHDSKFASA-N	1	0	370.501	1.428	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CCCC2)CC1	ZINC000373892759	992506944	/nfs/dbraw/zinc/50/69/44/992506944.db2.gz	FAMZAGCCQFGLHV-IEBWSBKVSA-N	1	0	363.502	1.513	20	30		FDEDRO
CN(CCCN1CC[NH+](C)CC1)C(=O)N[C@H]1Cc2ccc(C#N)cc2C1	ZINC000876278672	992519103	/nfs/dbraw/zinc/51/91/03/992519103.db2.gz	JQEJRAXEFQLSRN-IBGZPJMESA-N	1	0	355.486	1.304	20	30		FDEDRO
C=CCN(C)CC[N@@H+](CC)CCC(=O)N1CCN(c2ccccn2)CC1	ZINC000411636378	992522936	/nfs/dbraw/zinc/52/29/36/992522936.db2.gz	DHEXMDAJRTZAGB-UHFFFAOYSA-N	1	0	359.518	1.560	20	30		FDEDRO
C#CCN(CC#N)CC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1	ZINC000374062684	992583443	/nfs/dbraw/zinc/58/34/43/992583443.db2.gz	AUAKPKNIMSKPTH-UHFFFAOYSA-N	1	0	354.454	1.188	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)s1	ZINC000876516324	992679633	/nfs/dbraw/zinc/67/96/33/992679633.db2.gz	PLAHGUJQGQNMDN-OLZOCXBDSA-N	1	0	371.528	1.259	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC([C@@H](C)[NH3+])CC2)s1	ZINC000876522964	992684506	/nfs/dbraw/zinc/68/45/06/992684506.db2.gz	HKSRYNBDCKNGDH-GFCCVEGCSA-N	1	0	371.528	1.341	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(OC)cc2)CC1	ZINC000876580871	992716504	/nfs/dbraw/zinc/71/65/04/992716504.db2.gz	SUSFGRULPJDUJY-OAHLLOKOSA-N	1	0	351.834	1.450	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](C(=O)N(C)C)C2)c1C	ZINC000411949900	992732484	/nfs/dbraw/zinc/73/24/84/992732484.db2.gz	WACJISSSALUHCY-KRWDZBQOSA-N	1	0	356.470	1.960	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1	ZINC000411964365	992741388	/nfs/dbraw/zinc/74/13/88/992741388.db2.gz	IODVGPZRMZHGBU-IERDGZPVSA-N	1	0	368.481	1.847	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(OCC(N)=O)c1)C2	ZINC001095496523	992763007	/nfs/dbraw/zinc/76/30/07/992763007.db2.gz	UXTQFSSXSTWYPU-NJAFHUGGSA-N	1	0	357.454	1.852	20	30		FDEDRO
C=CCNC(=O)c1ccc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)nc1	ZINC000374310429	992766039	/nfs/dbraw/zinc/76/60/39/992766039.db2.gz	MDJISCBJIXIVCP-FUHWJXTLSA-N	1	0	357.502	1.460	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC[C@H](C(=O)N2CCCC2)C1	ZINC000876659883	992778992	/nfs/dbraw/zinc/77/89/92/992778992.db2.gz	IPVIOHBUXRKXCW-HKUYNNGSSA-N	1	0	366.465	1.606	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1	ZINC000876753216	992873893	/nfs/dbraw/zinc/87/38/93/992873893.db2.gz	IMZJRFYUBTWGMH-KBMXLJTQSA-N	1	0	370.925	1.295	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1	ZINC000876754578	992875675	/nfs/dbraw/zinc/87/56/75/992875675.db2.gz	TVCPGKBVBYWSOX-AVVWSFFYSA-N	1	0	370.925	1.295	20	30		FDEDRO
CC(C)OCCN1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876767789	992890764	/nfs/dbraw/zinc/89/07/64/992890764.db2.gz	AJJTUHJKEMLTNM-LJQANCHMSA-N	1	0	356.470	1.314	20	30		FDEDRO
C[C@@H](C(=O)N1CCCC1)N1CCN(Cc2cc(C#N)cnc2Cl)CC1	ZINC000876790483	992915349	/nfs/dbraw/zinc/91/53/49/992915349.db2.gz	JRWRZQCBODRIHR-AWEZNQCLSA-N	1	0	361.877	1.735	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)s1	ZINC000876849607	992936538	/nfs/dbraw/zinc/93/65/38/992936538.db2.gz	VFSZGMSAOMNFAR-BFQNTYOBSA-N	1	0	371.528	1.258	20	30		FDEDRO
C[C@@H]1CN(CCN(C)C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C[C@H](C)O1	ZINC000876882521	992947985	/nfs/dbraw/zinc/94/79/85/992947985.db2.gz	KEWCCIBISIDJPR-KHYOSLBOSA-N	1	0	356.470	1.313	20	30		FDEDRO
Cn1c(CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)nnc1C1CCC1	ZINC000876906067	992962136	/nfs/dbraw/zinc/96/21/36/992962136.db2.gz	PLZCEBSNSOPPSA-KRWDZBQOSA-N	1	0	350.426	1.457	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN(C)[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1	ZINC000374921365	992967957	/nfs/dbraw/zinc/96/79/57/992967957.db2.gz	XWSLFRCPSFCMSQ-SJLPKXTDSA-N	1	0	374.485	1.220	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC([C@H](O)C(F)(F)F)CC1	ZINC000876940971	992975786	/nfs/dbraw/zinc/97/57/86/992975786.db2.gz	CKBBTZIPENUXIW-CVEARBPZSA-N	1	0	367.371	1.907	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000412779873	992986473	/nfs/dbraw/zinc/98/64/73/992986473.db2.gz	NOVBILNBVNWONE-UHFFFAOYSA-N	1	0	352.438	1.654	20	30		FDEDRO
C=C(Cl)C[C@@H](NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)C(=O)OCC	ZINC000877144626	993068901	/nfs/dbraw/zinc/06/89/01/993068901.db2.gz	RCFGVFAYWQGGKK-ZIAGYGMSSA-N	1	0	354.838	1.612	20	30		FDEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(Cc1ccc(OCC#N)cc1)CC2	ZINC001137116388	993080055	/nfs/dbraw/zinc/08/00/55/993080055.db2.gz	CDPVHLLEKCTDPN-UHFFFAOYSA-N	1	0	356.470	1.765	20	30		FDEDRO
N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1	ZINC000877199434	993099618	/nfs/dbraw/zinc/09/96/18/993099618.db2.gz	RCFIKQDHIOMXKZ-IBGZPJMESA-N	1	0	362.437	1.188	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(c2ccc(OC)cc2OC)CC1	ZINC000877227290	993118275	/nfs/dbraw/zinc/11/82/75/993118275.db2.gz	HSOVDLBLNXCJNY-AWEZNQCLSA-N	1	0	353.850	1.822	20	30		FDEDRO
Cc1ccccc1CN1CCO[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1	ZINC000877229967	993121314	/nfs/dbraw/zinc/12/13/14/993121314.db2.gz	UOPPJOLTGVDPNP-MOPGFXCFSA-N	1	0	358.486	1.723	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CN(Cc2ccccc2C)CCO1	ZINC000877229444	993121616	/nfs/dbraw/zinc/12/16/16/993121616.db2.gz	MONHOXMAHCVHSI-IAGOWNOFSA-N	1	0	351.878	1.782	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)C2CC[NH2+]CC2)s1	ZINC000877252579	993151000	/nfs/dbraw/zinc/15/10/00/993151000.db2.gz	RQIHTAQIRJKSJH-GFCCVEGCSA-N	1	0	371.528	1.259	20	30		FDEDRO
C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3ccc(OCC#N)cc3)CC[C@@H]21	ZINC001137118272	993199218	/nfs/dbraw/zinc/19/92/18/993199218.db2.gz	SCTREFGPSOLTLW-HBFSDRIKSA-N	1	0	366.469	1.775	20	30		FDEDRO
C=CCc1cc(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)cc(OC)c1O	ZINC000375528673	993215025	/nfs/dbraw/zinc/21/50/25/993215025.db2.gz	QOZFHYBCIOLQTG-SJORKVTESA-N	1	0	370.453	1.564	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCc2c(C(=O)OC)ccc(OC)c2C1	ZINC000877381068	993263314	/nfs/dbraw/zinc/26/33/14/993263314.db2.gz	ZPLIXWDTBCZNKF-CQSZACIVSA-N	1	0	352.818	1.836	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H]([NH2+]CC3CCS(=O)(=O)CC3)C2=O)cc1	ZINC000877474974	993296989	/nfs/dbraw/zinc/29/69/89/993296989.db2.gz	KMRUNNIMWWWWFQ-KRWDZBQOSA-N	1	0	361.467	1.074	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1	ZINC000877514106	993313342	/nfs/dbraw/zinc/31/33/42/993313342.db2.gz	GHDONMAWNVMPLP-MRXNPFEDSA-N	1	0	364.515	1.728	20	30		FDEDRO
C[NH+]1CCC(C[NH2+][C@H](C(=O)[O-])c2cccc(C#N)c2)(N2CCOCC2)CC1	ZINC001598583800	993354989	/nfs/dbraw/zinc/35/49/89/993354989.db2.gz	IRFZFPVLDSGYIL-SFHVURJKSA-N	1	0	372.469	1.070	20	30		FDEDRO
C#C[C@H]([NH2+]Cc1ccc(OCCN2CCOCC2)cc1)C1CCOCC1	ZINC000877637886	993399148	/nfs/dbraw/zinc/39/91/48/993399148.db2.gz	OFKHCWGTSTZHSW-NRFANRHFSA-N	1	0	358.482	1.916	20	30		FDEDRO
CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]Cc1cc(C#N)cnc1Cl	ZINC000877652595	993411274	/nfs/dbraw/zinc/41/12/74/993411274.db2.gz	WJALNFIKBDJZBG-KRWDZBQOSA-N	1	0	350.850	1.312	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(CO)cc1	ZINC001095556273	993432297	/nfs/dbraw/zinc/43/22/97/993432297.db2.gz	IWDYOIHZUIBHAV-ANULTFPQSA-N	1	0	367.493	1.498	20	30		FDEDRO
CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O)C2	ZINC001095560975	993480792	/nfs/dbraw/zinc/48/07/92/993480792.db2.gz	LGQRZAZQMKDUAO-GFEQUFNTSA-N	1	0	357.498	1.912	20	30		FDEDRO
C=CC[C@H](C(=O)OC)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1	ZINC000878118099	993722388	/nfs/dbraw/zinc/72/23/88/993722388.db2.gz	FQVRNAWUAQYPGM-MRXNPFEDSA-N	1	0	353.507	1.520	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H](O)CC1(CO)CCCC1	ZINC000878186018	993772058	/nfs/dbraw/zinc/77/20/58/993772058.db2.gz	QMYHQKBDVJLERE-CVEARBPZSA-N	1	0	359.474	1.162	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)C3)cc1	ZINC001095664893	993934345	/nfs/dbraw/zinc/93/43/45/993934345.db2.gz	NNAWDKXTVDJINU-BDXSIMOUSA-N	1	0	352.438	1.306	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CC[N@@H+](C[C@@H](O)C[C@@H](O)c3ccccc3)C2)nc1	ZINC000878641740	994084335	/nfs/dbraw/zinc/08/43/35/994084335.db2.gz	TXPJAQQGKYCEPO-IPMKNSEASA-N	1	0	353.422	1.891	20	30		FDEDRO
Cn1cncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OCC#N)cc1	ZINC001095702204	994139729	/nfs/dbraw/zinc/13/97/29/994139729.db2.gz	QXPHXIOWQDNRPV-NJAFHUGGSA-N	1	0	365.437	1.858	20	30		FDEDRO
C[NH+]1CCC2(CCN(CCS(=O)(=O)c3ccc(C#N)cn3)CC2)CC1	ZINC000879250323	994697531	/nfs/dbraw/zinc/69/75/31/994697531.db2.gz	DBXJKFSNKDYFKI-UHFFFAOYSA-N	1	0	362.499	1.535	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+]C(C)(C)[C@H]2CCCCO2)CC1	ZINC000879407179	994883242	/nfs/dbraw/zinc/88/32/42/994883242.db2.gz	VTUNMNHSTMIFIP-IAGOWNOFSA-N	1	0	350.507	1.616	20	30		FDEDRO
COc1ccc([C@H]2CN(C[C@@H](O)COc3ccccc3C#N)CC[NH2+]2)cc1	ZINC000879523102	994976255	/nfs/dbraw/zinc/97/62/55/994976255.db2.gz	TXWJYQFLOOSUNH-UYAOXDASSA-N	1	0	367.449	1.953	20	30		FDEDRO
C#CCN(CC)C(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000924882656	995096216	/nfs/dbraw/zinc/09/62/16/995096216.db2.gz	RIYXTFDDBSBTLP-UHFFFAOYSA-N	1	0	352.479	1.640	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1=O	ZINC000925079300	995277144	/nfs/dbraw/zinc/27/71/44/995277144.db2.gz	ITKKCRMLILACHU-QGZVFWFLSA-N	1	0	358.442	1.061	20	30		FDEDRO
C=C(C)C[C@H]1NC(=O)N(Cc2ccc(CN3CC[NH+](C)CC3)cc2)C1=O	ZINC000925277515	995446972	/nfs/dbraw/zinc/44/69/72/995446972.db2.gz	UDTOGJYYQUGSMJ-GOSISDBHSA-N	1	0	356.470	1.821	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O	ZINC000926233793	995981864	/nfs/dbraw/zinc/98/18/64/995981864.db2.gz	AZWRMBVIQNEEFT-ILRSOXBSSA-N	1	0	365.518	1.443	20	30		FDEDRO
CCO[C@H](CNC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)C[NH+](C)C	ZINC000926835431	996331330	/nfs/dbraw/zinc/33/13/30/996331330.db2.gz	COPHNNRKZNXZSK-MSOLQXFVSA-N	1	0	360.458	1.608	20	30		FDEDRO
C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c1	ZINC000887033609	996845705	/nfs/dbraw/zinc/84/57/05/996845705.db2.gz	YKPXWDGCPYLOJU-ZDUSSCGKSA-N	1	0	367.396	1.941	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CCOCC1	ZINC000887125667	996955111	/nfs/dbraw/zinc/95/51/11/996955111.db2.gz	FDOWSGDWUVABTF-UHFFFAOYSA-N	1	0	371.481	1.506	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)CCOCC1	ZINC000887125893	996955492	/nfs/dbraw/zinc/95/54/92/996955492.db2.gz	OEXLRYXOTQOYLO-SFHVURJKSA-N	1	0	355.482	1.791	20	30		FDEDRO
C[N@H+](CCCF)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000887141284	996964400	/nfs/dbraw/zinc/96/44/00/996964400.db2.gz	MRMDYBXRIGUJJD-QGZVFWFLSA-N	1	0	350.413	1.826	20	30		FDEDRO
CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)NCC3(C#N)CCC3)CC2)C1	ZINC000333927899	997299798	/nfs/dbraw/zinc/29/97/98/997299798.db2.gz	WTPPOWPCBUVEDZ-KRWDZBQOSA-N	1	0	363.506	1.117	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccc(NC(C)=O)cc2)CC1	ZINC000264085666	997399796	/nfs/dbraw/zinc/39/97/96/997399796.db2.gz	JOVHCBPNSNJWJO-UHFFFAOYSA-N	1	0	361.446	1.670	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](O)c2ccc(OC)cc2)CC1	ZINC000264111593	997404188	/nfs/dbraw/zinc/40/41/88/997404188.db2.gz	QVEOXOKEMYETEB-MRXNPFEDSA-N	1	0	364.446	1.254	20	30		FDEDRO
[NH2+]=C(NCCCn1cnc2ccccc21)N1CCN(c2ncccn2)CC1	ZINC000264130350	997407381	/nfs/dbraw/zinc/40/73/81/997407381.db2.gz	UBKIASMVWXHPFG-UHFFFAOYSA-N	1	0	364.457	1.353	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3)CC1	ZINC000264381383	997488744	/nfs/dbraw/zinc/48/87/44/997488744.db2.gz	LLKICIUQPCXRST-UHFFFAOYSA-N	1	0	372.425	1.113	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1	ZINC000264451421	997515815	/nfs/dbraw/zinc/51/58/15/997515815.db2.gz	CRSVTLVXIAPILI-XIRDDKMYSA-N	1	0	361.486	1.707	20	30		FDEDRO
C#CC[C@H]1CCN(C(=O)NCc2ccc(N3CC[NH+](CC)CC3)nc2)C1	ZINC000887697245	997662371	/nfs/dbraw/zinc/66/23/71/997662371.db2.gz	VHJZOEWNJWIEJY-KRWDZBQOSA-N	1	0	355.486	1.778	20	30		FDEDRO
CN1CCN(C)[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000265001199	997671169	/nfs/dbraw/zinc/67/11/69/997671169.db2.gz	ZYCFXZORLKSTQY-LJQANCHMSA-N	1	0	352.486	1.799	20	30		FDEDRO
N#Cc1cc(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)ccc1Br	ZINC000887994553	998000254	/nfs/dbraw/zinc/00/02/54/998000254.db2.gz	BFRPYKUTAXPALQ-CYBMUJFWSA-N	1	0	350.216	1.980	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])N[C@@H]2CCN(CC(F)(F)F)C2)cc1OC	ZINC000104181157	998315609	/nfs/dbraw/zinc/31/56/09/998315609.db2.gz	ZGHOXXGJXJIUID-CYBMUJFWSA-N	1	0	374.407	1.787	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cnc1C(F)(F)F	ZINC000889749212	998585206	/nfs/dbraw/zinc/58/52/06/998585206.db2.gz	GDHBLECOLZVSRZ-UONOGXRCSA-N	1	0	368.359	1.643	20	30		FDEDRO
C#CCCN(CCOC)C(=O)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1	ZINC000826662819	998730884	/nfs/dbraw/zinc/73/08/84/998730884.db2.gz	PQNLPLFCKAQOEB-LJQANCHMSA-N	1	0	371.481	1.438	20	30		FDEDRO
C[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(CC#N)n2)[C@@H]1c1ccccc1	ZINC000890046689	998792293	/nfs/dbraw/zinc/79/22/93/998792293.db2.gz	ZTTPPJORXFTJCH-AEFFLSMTSA-N	1	0	363.421	1.648	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)n1	ZINC000890141524	998838127	/nfs/dbraw/zinc/83/81/27/998838127.db2.gz	LPJDVPWSKIAFNN-INIZCTEOSA-N	1	0	355.442	1.563	20	30		FDEDRO
CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000890149513	998844806	/nfs/dbraw/zinc/84/48/06/998844806.db2.gz	UFTFXIFPXITAHQ-YJBOKZPZSA-N	1	0	369.469	1.718	20	30		FDEDRO
C#CCN(CC#C)C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000890164985	998856046	/nfs/dbraw/zinc/85/60/46/998856046.db2.gz	MNKBARBWHVHELW-LJQANCHMSA-N	1	0	364.449	1.005	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)CCC(=O)N(CCC#N)c1ccccc1	ZINC000266151821	999121313	/nfs/dbraw/zinc/12/13/13/999121313.db2.gz	KUUMHDKVTKGKFD-UHFFFAOYSA-N	1	0	374.485	1.798	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(C(=O)OC)c(C(=O)OC)c2)CC1	ZINC000266380017	999155137	/nfs/dbraw/zinc/15/51/37/999155137.db2.gz	HZLYEVHSJRUPJD-UHFFFAOYSA-N	1	0	358.394	1.544	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCc2ccccc2[N+](=O)[O-])CC1	ZINC000267446754	999338017	/nfs/dbraw/zinc/33/80/17/999338017.db2.gz	QGNRIUZJEFYSAL-UHFFFAOYSA-N	1	0	363.418	1.663	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(-c3nnco3)ccc2C)CC1	ZINC000267486860	999347749	/nfs/dbraw/zinc/34/77/49/999347749.db2.gz	DOLHQYURKIFLOJ-UHFFFAOYSA-N	1	0	369.425	1.750	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC000269011034	999462212	/nfs/dbraw/zinc/46/22/12/999462212.db2.gz	LIXLFDRXAHEWHI-OALUTQOASA-N	1	0	371.481	1.876	20	30		FDEDRO
CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)C1	ZINC000270177195	999521505	/nfs/dbraw/zinc/52/15/05/999521505.db2.gz	LDOMWBITRWEPHL-MRXNPFEDSA-N	1	0	354.454	1.638	20	30		FDEDRO
C=CCCOCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO	ZINC000270241486	999529740	/nfs/dbraw/zinc/52/97/40/999529740.db2.gz	JPLAXOGJCSNSQO-RBUKOAKNSA-N	1	0	361.486	1.761	20	30		FDEDRO
CC1(C)NC(=O)N(CCCO/[NH+]=C/c2ccc(N3CCOCC3)cc2)C1=O	ZINC000270245206	999530207	/nfs/dbraw/zinc/53/02/07/999530207.db2.gz	LCBTYKLUAPTKRX-XSFVSMFZSA-N	1	0	374.441	1.594	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1	ZINC000270885588	999629168	/nfs/dbraw/zinc/62/91/68/999629168.db2.gz	BNNYTVWJHYDLJD-HKUYNNGSSA-N	1	0	356.470	1.191	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)nn1CCC#N	ZINC000271005628	999648346	/nfs/dbraw/zinc/64/83/46/999648346.db2.gz	IGASXBBFGUKWNW-HIFRSBDPSA-N	1	0	360.462	1.280	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)nn1CCC#N	ZINC000271053364	999653486	/nfs/dbraw/zinc/65/34/86/999653486.db2.gz	XGHSDNHXVKTFLC-OAHLLOKOSA-N	1	0	374.489	1.672	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@H+](CCO)Cc1cnn(Cc2ccccc2)c1	ZINC000271317558	999690382	/nfs/dbraw/zinc/69/03/82/999690382.db2.gz	AKITUYKUXYVZCN-UHFFFAOYSA-N	1	0	369.469	1.488	20	30		FDEDRO
COC(=O)COc1ccc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)cc1	ZINC000274425432	999738962	/nfs/dbraw/zinc/73/89/62/999738962.db2.gz	FSQRCORPCDQJJE-BFUOFWGJSA-N	1	0	359.426	1.697	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NCCc1ccccn1)C(C)C	ZINC000283144835	999741455	/nfs/dbraw/zinc/74/14/55/999741455.db2.gz	PEGXUPZYJYBEGR-GOSISDBHSA-N	1	0	358.486	1.555	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](Cn1ccccc1=O)c1ccccc1	ZINC000283748909	999761384	/nfs/dbraw/zinc/76/13/84/999761384.db2.gz	FXFXTQKNQFRVDN-NVXWUHKLSA-N	1	0	368.437	1.580	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(OC)cc2OC)CC1	ZINC000284043185	999775744	/nfs/dbraw/zinc/77/57/44/999775744.db2.gz	OWFNOEDLJKWGBU-UHFFFAOYSA-N	1	0	361.442	1.087	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N(C)Cc1ccccn1)C(C)C	ZINC000284174836	999778585	/nfs/dbraw/zinc/77/85/85/999778585.db2.gz	UQEKOLOQZQINTE-SFHVURJKSA-N	1	0	358.486	1.855	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000284323855	999807289	/nfs/dbraw/zinc/80/72/89/999807289.db2.gz	QXZWDQROUOKBIC-UHFFFAOYSA-N	1	0	372.513	1.740	20	30		FDEDRO
C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NCCC[N@@H+](C)CCOC	ZINC000284330125	999808129	/nfs/dbraw/zinc/80/81/29/999808129.db2.gz	WZWGGRCPRBFYOF-UHFFFAOYSA-N	1	0	361.486	1.676	20	30		FDEDRO
C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000284736872	999869055	/nfs/dbraw/zinc/86/90/55/999869055.db2.gz	IPOVJVMXGJVSSZ-XCJLJZCSSA-N	1	0	369.465	1.915	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2cccc3[nH]ccc32)CC1	ZINC000286492280	999944925	/nfs/dbraw/zinc/94/49/25/999944925.db2.gz	JXRSSCMUDNZZST-UHFFFAOYSA-N	1	0	354.454	1.593	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(OC(C)(C)C)nc2)CC1	ZINC000286687236	999945950	/nfs/dbraw/zinc/94/59/50/999945950.db2.gz	PGOZPUZVABEMOQ-UHFFFAOYSA-N	1	0	374.485	1.642	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)NCCn2cnc(C#N)n2)C[N@@H+]1Cc1ccccc1	ZINC000286700686	999946503	/nfs/dbraw/zinc/94/65/03/999946503.db2.gz	DTNGOYGRIOCYSR-HOCLYGCPSA-N	1	0	353.430	1.112	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CC1	ZINC000286818623	999951162	/nfs/dbraw/zinc/95/11/62/999951162.db2.gz	WDUYMGHNBZMKID-UHFFFAOYSA-N	1	0	368.481	1.446	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(F)c1	ZINC000287727584	999959332	/nfs/dbraw/zinc/95/93/32/999959332.db2.gz	COPDYUYERDEDBL-PBWFPOADSA-N	1	0	361.392	1.968	20	30		FDEDRO
C[C@@H](C[NH+](C)C)NC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000287794875	999960954	/nfs/dbraw/zinc/96/09/54/999960954.db2.gz	BPKHPHXKFIRYEZ-HNNXBMFYSA-N	1	0	366.469	1.888	20	30		FDEDRO
CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCCCC#N)c1	ZINC000288047708	999986058	/nfs/dbraw/zinc/98/60/58/999986058.db2.gz	MCGBQEFJRUDZGS-UHFFFAOYSA-N	1	0	359.430	1.325	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000288127299	999988828	/nfs/dbraw/zinc/98/88/28/999988828.db2.gz	NUUSERQLFZEIRQ-YIONKMFJSA-N	1	0	356.426	1.589	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C	ZINC000288162075	999992463	/nfs/dbraw/zinc/99/24/63/999992463.db2.gz	QCJXVDDYVWREKT-ZFWWWQNUSA-N	1	0	356.426	1.591	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1	ZINC000288199865	999996178	/nfs/dbraw/zinc/99/61/78/999996178.db2.gz	PJPQCXOMKNMXHY-YJBOKZPZSA-N	1	0	355.438	1.722	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1ccnn1C1CC[NH+](CC)CC1)C(C)(C)C	ZINC000288434356	1000016379	/nfs/dbraw/zinc/01/63/79/1000016379.db2.gz	OYXKCPBCONBASO-OAHLLOKOSA-N	1	0	359.474	1.643	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1	ZINC000288852250	1000052772	/nfs/dbraw/zinc/05/27/72/1000052772.db2.gz	PFILYAKPTDUVAX-LIRRHRJNSA-N	1	0	363.433	1.453	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C	ZINC000289018207	1000068865	/nfs/dbraw/zinc/06/88/65/1000068865.db2.gz	KVDMBEBGELIVFB-HNAYVOBHSA-N	1	0	368.481	1.894	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	ZINC000289050326	1000071299	/nfs/dbraw/zinc/07/12/99/1000071299.db2.gz	KKQPRLALRUTRET-UHFFFAOYSA-N	1	0	372.513	1.343	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3ccncc3)C2)CC1	ZINC000289288842	1000087880	/nfs/dbraw/zinc/08/78/80/1000087880.db2.gz	GYJIZNQDKXOOJV-WOJBJXKFSA-N	1	0	369.513	1.953	20	30		FDEDRO
C=CCn1c(-c2ccccn2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1	ZINC000289761862	1000117772	/nfs/dbraw/zinc/11/77/72/1000117772.db2.gz	RTSBWMVDUSDISG-KRWDZBQOSA-N	1	0	367.501	1.742	20	30		FDEDRO
COc1ccc(C[NH2+]CCCn2cc(CO)nn2)cc1OCCCC#N	ZINC000289927279	1000122590	/nfs/dbraw/zinc/12/25/90/1000122590.db2.gz	SRDYDYHQLJTUAU-UHFFFAOYSA-N	1	0	359.430	1.641	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1	ZINC000289979960	1000123529	/nfs/dbraw/zinc/12/35/29/1000123529.db2.gz	XRAJQPSVWZVRNB-LJQANCHMSA-N	1	0	359.449	1.814	20	30		FDEDRO
C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292316656	1000230424	/nfs/dbraw/zinc/23/04/24/1000230424.db2.gz	VPTLIQFGIAQQSW-JSGCOSHPSA-N	1	0	359.430	1.419	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCc2ccc3c(c2)CN(C(=O)C#CC2CC2)C3)CC[N@@H+]1C	ZINC000965865764	1016440957	/nfs/dbraw/zinc/44/09/57/1016440957.db2.gz	SHHMYOCMWDIHKS-FOIQADDNSA-N	1	0	365.477	1.899	20	30		FDEDRO
Cc1cccc(NCCNC(=O)N2CCN(c3cccc(C#N)n3)CC2)n1	ZINC000927482459	1000861013	/nfs/dbraw/zinc/86/10/13/1000861013.db2.gz	UABPFZYDBYNDDN-UHFFFAOYSA-N	1	0	365.441	1.600	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CC[C@@H](C)[C@H](C[NH3+])C3)cc21	ZINC000927803493	1001063188	/nfs/dbraw/zinc/06/31/88/1001063188.db2.gz	PTVXXNBXAHEYDC-UKRRQHHQSA-N	1	0	355.442	1.604	20	30		FDEDRO
C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000927816732	1001077104	/nfs/dbraw/zinc/07/71/04/1001077104.db2.gz	UDYIMEQWEMVMLZ-KOLCDFICSA-N	1	0	354.332	1.487	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1	ZINC000927846226	1001108157	/nfs/dbraw/zinc/10/81/57/1001108157.db2.gz	CISHDTOHAJNRPW-QWRGUYRKSA-N	1	0	358.295	1.374	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)N(C)C	ZINC001110934924	1001208169	/nfs/dbraw/zinc/20/81/69/1001208169.db2.gz	RIKITIMCYQHWRI-VQHPVUNQSA-N	1	0	371.547	1.592	20	30		FDEDRO
C[N@@H+]1CC[C@@H]1CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N	ZINC000928570645	1001578715	/nfs/dbraw/zinc/57/87/15/1001578715.db2.gz	FPQBZGIVCJGBMP-UARSRXHTSA-N	1	0	362.474	1.594	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cncc(I)c2)CC1	ZINC000928655273	1001611004	/nfs/dbraw/zinc/61/10/04/1001611004.db2.gz	SSVGKEQLUUJFQD-UHFFFAOYSA-N	1	0	369.206	1.514	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cnn(CCO[C@H]3CCCCO3)c2C)CC1	ZINC000928655443	1001611969	/nfs/dbraw/zinc/61/19/69/1001611969.db2.gz	WPLDASPPJYHWCA-IBGZPJMESA-N	1	0	374.485	1.562	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)CC1	ZINC000928656550	1001612539	/nfs/dbraw/zinc/61/25/39/1001612539.db2.gz	ABTYZVKFKFQILR-CYBMUJFWSA-N	1	0	361.392	1.532	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C[C@@H](NC(C)=O)c2ccccc2OCC)CC1	ZINC000928657926	1001613135	/nfs/dbraw/zinc/61/31/35/1001613135.db2.gz	FHIQKGJHWXQWBA-LJQANCHMSA-N	1	0	371.481	1.866	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C[C@H](c2ccccc2)N2CCOC2=O)CC1	ZINC000928658421	1001613777	/nfs/dbraw/zinc/61/37/77/1001613777.db2.gz	RNKRJCYKWXRHAZ-GOSISDBHSA-N	1	0	355.438	1.784	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@]2(NC(=O)OC(C)(C)C)CC2(F)F)CC1	ZINC000928660078	1001615235	/nfs/dbraw/zinc/61/52/35/1001615235.db2.gz	GUESBSUYOPEGAR-MRXNPFEDSA-N	1	0	357.401	1.503	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CO[C@H](CCC(=O)OC(C)(C)C)C2)CC1	ZINC000928660141	1001615347	/nfs/dbraw/zinc/61/53/47/1001615347.db2.gz	JHZLFGCNOKGCEJ-DOTOQJQBSA-N	1	0	364.486	1.727	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@]2(C)CCCN(c3ccc(C#N)nn3)C2)CC[N@@H+]1C	ZINC001110963820	1001798340	/nfs/dbraw/zinc/79/83/40/1001798340.db2.gz	NDFXNEXZEYDNSL-SQGPQFPESA-N	1	0	370.501	1.801	20	30		FDEDRO
Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCO[C@@](C)(C#N)C1	ZINC000929314380	1001925949	/nfs/dbraw/zinc/92/59/49/1001925949.db2.gz	PTVOWXCUOQBLTP-IBGZPJMESA-N	1	0	357.458	1.893	20	30		FDEDRO
N#Cc1cc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(C(N)=O)CC2)C3)ccc1F	ZINC001110966017	1001940060	/nfs/dbraw/zinc/94/00/60/1001940060.db2.gz	RRZASXVZMMSDKI-BMFZPTHFSA-N	1	0	356.401	1.184	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1cccc(OC(C)C)c1)C1CC[NH+](C)CC1	ZINC000929333150	1001944421	/nfs/dbraw/zinc/94/44/21/1001944421.db2.gz	LZNGFOJEEZUMFI-UHFFFAOYSA-N	1	0	371.481	1.646	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[N@@H+]2C[C@@H](C(=O)NCCOC)CC[C@H]2C)cc1	ZINC000929356694	1001965070	/nfs/dbraw/zinc/96/50/70/1001965070.db2.gz	ZBIQWAIHZWHRGH-AEFFLSMTSA-N	1	0	371.481	1.860	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[N@@H+]2C[C@H](C(=O)NCCOC)CC[C@@H]2C)cc1	ZINC000929356695	1001965453	/nfs/dbraw/zinc/96/54/53/1001965453.db2.gz	ZBIQWAIHZWHRGH-FUHWJXTLSA-N	1	0	371.481	1.860	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2C)cc1	ZINC000947972216	1001990763	/nfs/dbraw/zinc/99/07/63/1001990763.db2.gz	CHVGIHGZZLVKCW-LZQZEXGQSA-N	1	0	369.465	1.370	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1cccc(COC)c1)C1CC[NH+](C)CC1	ZINC000929394824	1001996695	/nfs/dbraw/zinc/99/66/95/1001996695.db2.gz	ZDQZEYDRVNWIGF-UHFFFAOYSA-N	1	0	357.454	1.005	20	30		FDEDRO
Cn1cc(C2=NC[C@@H](C[NH+]3CCC(Oc4ccc(C#N)cc4)CC3)O2)cn1	ZINC000929515584	1002157005	/nfs/dbraw/zinc/15/70/05/1002157005.db2.gz	DXLUIVVUXTZWAV-IBGZPJMESA-N	1	0	365.437	1.981	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC000948459653	1002365469	/nfs/dbraw/zinc/36/54/69/1002365469.db2.gz	LVWJVARTYFMLBZ-KBRIMQKVSA-N	1	0	357.458	1.337	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC000948459655	1002365855	/nfs/dbraw/zinc/36/58/55/1002365855.db2.gz	LVWJVARTYFMLBZ-XYPHTWIQSA-N	1	0	357.458	1.337	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccc(CCN3CCOCC3)cc2)CC1	ZINC000929890710	1002567111	/nfs/dbraw/zinc/56/71/11/1002567111.db2.gz	GMUXKEXOXXSUQQ-UHFFFAOYSA-N	1	0	370.497	1.780	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1	ZINC000948775957	1002665346	/nfs/dbraw/zinc/66/53/46/1002665346.db2.gz	WAUWKFABRPZTNT-FGTMMUONSA-N	1	0	361.486	1.103	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H](CCC)c1ccccn1)C1CC[NH+](C)CC1	ZINC000929988394	1002705397	/nfs/dbraw/zinc/70/53/97/1002705397.db2.gz	NLNFEJZGWUXGFP-GOSISDBHSA-N	1	0	356.470	1.595	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2cc(C3CC3)n(C)n2)CC1	ZINC000930008934	1002732143	/nfs/dbraw/zinc/73/21/43/1002732143.db2.gz	AZHPKALSDLTCCU-UHFFFAOYSA-N	1	0	359.474	1.070	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCOC23CCCCC3)CC1	ZINC000930010910	1002734456	/nfs/dbraw/zinc/73/44/56/1002734456.db2.gz	WQKNXZWLEVUTCR-KRWDZBQOSA-N	1	0	363.502	1.751	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CC(=O)N2CCC2)CC1	ZINC000948848381	1002755546	/nfs/dbraw/zinc/75/55/46/1002755546.db2.gz	AZFIWMIPUGGDPX-AOIWGVFYSA-N	1	0	363.502	1.513	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1	ZINC000948960654	1002878147	/nfs/dbraw/zinc/87/81/47/1002878147.db2.gz	FRWCGNNAMAQROG-SQNIBIBYSA-N	1	0	363.502	1.274	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1	ZINC000948985153	1002905920	/nfs/dbraw/zinc/90/59/20/1002905920.db2.gz	CRZVQMQXCBUFBT-OLMNPRSZSA-N	1	0	371.485	1.726	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)c1cccc(C#N)c1	ZINC000930213757	1002934355	/nfs/dbraw/zinc/93/43/55/1002934355.db2.gz	PSYJPPASKLXBJU-GFCCVEGCSA-N	1	0	370.375	1.688	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C3(C(F)F)CC3)C[C@H]2C)CC1	ZINC000949036757	1002950524	/nfs/dbraw/zinc/95/05/24/1002950524.db2.gz	JRSCSDRQJXLGAI-UKRRQHHQSA-N	1	0	367.440	1.340	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[N@H+]2CCN(CCC(=O)OC)C[C@H]2C)cc1	ZINC000930236176	1002955623	/nfs/dbraw/zinc/95/56/23/1002955623.db2.gz	JGYOISDVKVLQHR-MRXNPFEDSA-N	1	0	357.454	1.566	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H]1CCCC[C@@H]1SCC)C1CC[NH+](C)CC1	ZINC000930251735	1002970925	/nfs/dbraw/zinc/97/09/25/1002970925.db2.gz	VLJNSIXOSJZLET-SJORKVTESA-N	1	0	365.543	1.723	20	30		FDEDRO
CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1C1CCOCC1)CCO2	ZINC000949137932	1003028130	/nfs/dbraw/zinc/02/81/30/1003028130.db2.gz	SOZLNDBVRYVPBK-RBUKOAKNSA-N	1	0	360.498	1.766	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO	ZINC000930390320	1003082506	/nfs/dbraw/zinc/08/25/06/1003082506.db2.gz	HLAAZDOPDXQPTR-HZPDHXFCSA-N	1	0	362.405	1.791	20	30		FDEDRO
CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1cccnc1)CCO2	ZINC000949197027	1003084495	/nfs/dbraw/zinc/08/44/95/1003084495.db2.gz	QWYCKAMQBQWKPR-RBUKOAKNSA-N	1	0	353.466	1.902	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1ccn(C2CCCC2)n1)C1CC[NH+](C)CC1	ZINC000930415847	1003100183	/nfs/dbraw/zinc/10/01/83/1003100183.db2.gz	YNZGAIXKUXZCOK-UHFFFAOYSA-N	1	0	371.485	1.170	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C	ZINC000949313539	1003216942	/nfs/dbraw/zinc/21/69/42/1003216942.db2.gz	BQMWWHGVGAJGPF-BPQIPLTHSA-N	1	0	370.497	1.593	20	30		FDEDRO
C#C[C@](C)(CC)[NH2+]C[C@@H](O)COc1cn(-c2ccccc2)nc1C(=O)OC	ZINC000930601182	1003314411	/nfs/dbraw/zinc/31/44/11/1003314411.db2.gz	QQSPQAUFPGQHIO-OXQOHEQNSA-N	1	0	371.437	1.790	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1conc1CC)C2	ZINC001110993944	1003335860	/nfs/dbraw/zinc/33/58/60/1003335860.db2.gz	GLLQJACQGNNTRA-OLMNPRSZSA-N	1	0	372.469	1.773	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C3CCC3)C[C@H]2C)CC1	ZINC000949459590	1003363256	/nfs/dbraw/zinc/36/32/56/1003363256.db2.gz	FNIRRAAWRDVFLY-XWPNQZOQSA-N	1	0	371.525	1.731	20	30		FDEDRO
C=C(C)C[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)CC2)C1	ZINC000949480193	1003385209	/nfs/dbraw/zinc/38/52/09/1003385209.db2.gz	KLBOWBIJHSFIJS-ZWKOTPCHSA-N	1	0	358.486	1.793	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000930771866	1003492095	/nfs/dbraw/zinc/49/20/95/1003492095.db2.gz	YYSWEIJAUIRPFA-UHFFFAOYSA-N	1	0	354.389	1.960	20	30		FDEDRO
C#CCN(C(=O)C(=O)NC[C@@H]1CC12CCSCC2)C1CC[NH+](C)CC1	ZINC000930877989	1003622938	/nfs/dbraw/zinc/62/29/38/1003622938.db2.gz	XRAQAIZWAVIRPS-HNNXBMFYSA-N	1	0	363.527	1.192	20	30		FDEDRO
C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O	ZINC000930910709	1003655230	/nfs/dbraw/zinc/65/52/30/1003655230.db2.gz	HJZILTXRWDDEPZ-QLFBSQMISA-N	1	0	353.422	1.260	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCO[C@H]2CCOC2)nc1	ZINC001111293329	1003685078	/nfs/dbraw/zinc/68/50/78/1003685078.db2.gz	ZIKYRQNEZRGERQ-BWPNAZKDSA-N	1	0	369.465	1.594	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12	ZINC000930956979	1003712570	/nfs/dbraw/zinc/71/25/70/1003712570.db2.gz	IEGSHCUEEYIBTJ-HOTGVXAUSA-N	1	0	360.483	1.711	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1	ZINC000949835357	1003738436	/nfs/dbraw/zinc/73/84/36/1003738436.db2.gz	IOHACFBHXWOMNI-KBRIMQKVSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C[C@@H](C)CS(C)(=O)=O)C1	ZINC001111002129	1003758480	/nfs/dbraw/zinc/75/84/80/1003758480.db2.gz	WFAKQEBGYMSWJX-FPCVCCKLSA-N	1	0	354.516	1.745	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1	ZINC000949878195	1003769322	/nfs/dbraw/zinc/76/93/22/1003769322.db2.gz	PYBDUKROXJVIMU-KBRIMQKVSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](O)COCCOC)C1	ZINC001111001403	1003772358	/nfs/dbraw/zinc/77/23/58/1003772358.db2.gz	AZDIJALNSJBRQE-TWMKSMIVSA-N	1	0	352.475	1.088	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)CN2CCC([N@@H+]3CCCOCC3)CC2)cc1	ZINC000931292405	1004032304	/nfs/dbraw/zinc/03/23/04/1004032304.db2.gz	KZMAEWWHJBAEHH-LJQANCHMSA-N	1	0	359.470	1.485	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Nc1nnn(Cc2ccccc2F)c1C	ZINC000931299319	1004034527	/nfs/dbraw/zinc/03/45/27/1004034527.db2.gz	PJMBOFLITZZEGT-UHFFFAOYSA-N	1	0	358.421	1.851	20	30		FDEDRO
COc1c(C)[nH]cc(C[N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)c1=O	ZINC000931319628	1004052515	/nfs/dbraw/zinc/05/25/15/1004052515.db2.gz	GZQSZEWPRKLJGE-INIZCTEOSA-N	1	0	357.410	1.435	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC(F)(F)C1)C2	ZINC001111012091	1004192859	/nfs/dbraw/zinc/19/28/59/1004192859.db2.gz	GSIPXGRGCIJYCZ-YJNKXOJESA-N	1	0	355.429	1.836	20	30		FDEDRO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC(O)(C[NH+](C)C)CC1	ZINC000931483679	1004199992	/nfs/dbraw/zinc/19/99/92/1004199992.db2.gz	GKSLWELPGKMPJJ-HFCFLWKCSA-N	1	0	364.534	1.694	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3cc(C#N)ccc3F)CC[C@@H]21	ZINC000931595294	1004299270	/nfs/dbraw/zinc/29/92/70/1004299270.db2.gz	GSEXUSWOZMKUQU-PBHICJAKSA-N	1	0	358.417	1.256	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NCc1cc(C#N)ccc1F	ZINC000931595654	1004299327	/nfs/dbraw/zinc/29/93/27/1004299327.db2.gz	KEPHRRLBHMDOTO-UHFFFAOYSA-N	1	0	372.400	1.497	20	30		FDEDRO
C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCc2cc(C#N)ccc2F)C1	ZINC000931596086	1004300112	/nfs/dbraw/zinc/30/01/12/1004300112.db2.gz	QEVKOHBHCJPEDJ-YOEHRIQHSA-N	1	0	358.417	1.256	20	30		FDEDRO
COc1ccccc1C[C@](C)(CO)[NH2+]C[C@H](O)COc1ccccc1C#N	ZINC000931601006	1004304387	/nfs/dbraw/zinc/30/43/87/1004304387.db2.gz	KPNKDSSYYDCAPM-GHTZIAJQSA-N	1	0	370.449	1.890	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccc(OC)c(S(C)(=O)=O)c2)CC1	ZINC000931734211	1004455811	/nfs/dbraw/zinc/45/58/11/1004455811.db2.gz	UTJMZJWYZRGHPB-UHFFFAOYSA-N	1	0	365.455	1.318	20	30		FDEDRO
C[C@@]1([C@@H]2CCC[N@H+](CC(=O)NCc3ccc(C#N)cc3)C2)COC(=O)N1	ZINC000932025441	1004715378	/nfs/dbraw/zinc/71/53/78/1004715378.db2.gz	GGOCJEKQGSXPLX-APWZRJJASA-N	1	0	356.426	1.385	20	30		FDEDRO
CCO[C@@H](CNC(=O)C(=O)N(C)[C@H](C)c1cccc(C#N)c1)C[NH+](C)C	ZINC000932471547	1004975889	/nfs/dbraw/zinc/97/58/89/1004975889.db2.gz	XDSSHHQBZIEOHM-PBHICJAKSA-N	1	0	360.458	1.161	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(C)c(C#N)c2)[C@@H](C)C1	ZINC000932477845	1004980009	/nfs/dbraw/zinc/98/00/09/1004980009.db2.gz	BLAKFKWNOQUTPA-MAUKXSAKSA-N	1	0	356.470	1.672	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1ccc(C)c(C#N)c1)C1CC[NH+](C)CC1	ZINC000932478156	1004980285	/nfs/dbraw/zinc/98/02/85/1004980285.db2.gz	YVGDPMRQXJYBDH-UHFFFAOYSA-N	1	0	352.438	1.039	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C[C@@]1(C)CCS(=O)(=O)N1)C(C)C	ZINC000932706604	1005112987	/nfs/dbraw/zinc/11/29/87/1005112987.db2.gz	BGINZJXVNFIYBC-NVXWUHKLSA-N	1	0	357.520	1.273	20	30		FDEDRO
N#CCSCCC[N@@H+]1CCn2ncc(I)c2C1	ZINC000933114226	1005350185	/nfs/dbraw/zinc/35/01/85/1005350185.db2.gz	LJQRVXLZADBKLA-UHFFFAOYSA-N	1	0	362.240	1.950	20	30		FDEDRO
CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC(c3ccc(C#N)cc3)CC2)CC1	ZINC000933613756	1005589056	/nfs/dbraw/zinc/58/90/56/1005589056.db2.gz	GHJCCKAKDORDCS-INIZCTEOSA-N	1	0	368.481	1.817	20	30		FDEDRO
Cc1nc2sccn2c(=O)c1CC[NH+]1CCC2(CC1)CC(=O)C=CO2	ZINC000933647922	1005598188	/nfs/dbraw/zinc/59/81/88/1005598188.db2.gz	NEXLZTCMNQYNFE-UHFFFAOYSA-N	1	0	359.451	1.945	20	30		FDEDRO
CC(=O)Nc1ccc(OC[C@@H](O)C[NH+]2CCC3(CC2)CC(=O)C=CO3)cc1	ZINC000933653116	1005599786	/nfs/dbraw/zinc/59/97/86/1005599786.db2.gz	QIJWOCPUZCLSTM-SFHVURJKSA-N	1	0	374.437	1.722	20	30		FDEDRO
CC[N@H+](CCC(=O)NC)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC	ZINC000933867229	1005650582	/nfs/dbraw/zinc/65/05/82/1005650582.db2.gz	YZFNQZYFLLTGDV-OAHLLOKOSA-N	1	0	360.458	1.788	20	30		FDEDRO
CN1CCN(C)CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000933993773	1005674479	/nfs/dbraw/zinc/67/44/79/1005674479.db2.gz	GESODTHBDYGVKB-UHFFFAOYSA-N	1	0	363.893	1.719	20	30		FDEDRO
N#CCSc1ccccc1NC(=O)CN1CC[C@H]2[C@H]1CCC[N@H+]2CCO	ZINC000934265189	1005725332	/nfs/dbraw/zinc/72/53/32/1005725332.db2.gz	SKDKUNKRKFEALJ-SJORKVTESA-N	1	0	374.510	1.772	20	30		FDEDRO
COc1cc(C#N)ccc1C(=O)N1CCN(c2cc[nH+]cc2OC)CC1	ZINC000935767216	1006002903	/nfs/dbraw/zinc/00/29/03/1006002903.db2.gz	GPOXORJYUTUVBP-UHFFFAOYSA-N	1	0	352.394	1.933	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NC[C@H]3Cc4ccccc4O3)=[NH+]C[C@@H]2C1	ZINC000089120466	1006010167	/nfs/dbraw/zinc/01/01/67/1006010167.db2.gz	PASZGCBBXFAXPW-HZPDHXFCSA-N	1	0	372.469	1.871	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C2	ZINC001111105647	1006042582	/nfs/dbraw/zinc/04/25/82/1006042582.db2.gz	IYSJIMMTHZHPFP-NCOADZHNSA-N	1	0	366.506	1.058	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCCCN1C(C)=O)C2	ZINC001111132560	1006355592	/nfs/dbraw/zinc/35/55/92/1006355592.db2.gz	XGJPTDOUVDCMQZ-MANSERQUSA-N	1	0	363.502	1.702	20	30		FDEDRO
CNC(=O)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2cc(C#N)ccc2F)CC1	ZINC001111143858	1006434602	/nfs/dbraw/zinc/43/46/02/1006434602.db2.gz	CCVUSLRFTZLGCL-OIISXLGYSA-N	1	0	370.428	1.445	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCCN1CCOCC1)C2	ZINC001111147353	1006454140	/nfs/dbraw/zinc/45/41/40/1006454140.db2.gz	XDTXAWVZJVJSLF-QRVBRYPASA-N	1	0	365.518	1.413	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-c3ccccn3)no1)C2	ZINC001111184056	1006706629	/nfs/dbraw/zinc/70/66/29/1006706629.db2.gz	LGCAPNMKOROBAC-OLMNPRSZSA-N	1	0	366.421	1.722	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)C23CCC[NH+]2CCC3)C1	ZINC000954403207	1006717025	/nfs/dbraw/zinc/71/70/25/1006717025.db2.gz	NBVZMGBQQDKXIA-SJORKVTESA-N	1	0	361.486	1.265	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC(N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cc1	ZINC000954417790	1006763951	/nfs/dbraw/zinc/76/39/51/1006763951.db2.gz	YMNLDWBNTRWRJQ-RBUKOAKNSA-N	1	0	353.466	1.681	20	30		FDEDRO
NC(=NOCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc2c(c1)CCO2	ZINC000158182744	1006964060	/nfs/dbraw/zinc/96/40/60/1006964060.db2.gz	DULCLNAYHOUTBD-UHFFFAOYSA-N	1	0	358.442	1.001	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCn2cncn2)C3)cc1	ZINC001111236552	1007012458	/nfs/dbraw/zinc/01/24/58/1007012458.db2.gz	ZWMXTQVEUQLTEC-QRVBRYPASA-N	1	0	364.453	1.852	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1	ZINC000954772078	1007013713	/nfs/dbraw/zinc/01/37/13/1007013713.db2.gz	GYJCHIJHVSELEX-JQHSSLGASA-N	1	0	363.502	1.369	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c([nH]1)CCCC3)C2	ZINC001111238033	1007022133	/nfs/dbraw/zinc/02/21/33/1007022133.db2.gz	HIROBVNQIKQGHQ-KOJWFEOWSA-N	1	0	370.497	1.919	20	30		FDEDRO
CC(C)(Cc1ccccc1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N	ZINC001111242253	1007048859	/nfs/dbraw/zinc/04/88/59/1007048859.db2.gz	XQULLRACFPHXGJ-KURKYZTESA-N	1	0	368.481	1.617	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1	ZINC000955064068	1007226694	/nfs/dbraw/zinc/22/66/94/1007226694.db2.gz	TVVRQKQPIHVDDF-NXHRZFHOSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC000956065664	1007836541	/nfs/dbraw/zinc/83/65/41/1007836541.db2.gz	LCWGKBCKCBBAKT-IXDOHACOSA-N	1	0	358.486	1.735	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1	ZINC000956134047	1007909333	/nfs/dbraw/zinc/90/93/33/1007909333.db2.gz	XYWRVHRTTNZBLM-BBWFWOEESA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1	ZINC000956245284	1007971343	/nfs/dbraw/zinc/97/13/43/1007971343.db2.gz	RBCROOYUSMETJZ-MANSERQUSA-N	1	0	373.497	1.006	20	30		FDEDRO
[NH2+]=C(NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)NC[C@@H]1CCCO1	ZINC000303251399	1008763493	/nfs/dbraw/zinc/76/34/93/1008763493.db2.gz	AGIOPFWCSKDFAQ-SJORKVTESA-N	1	0	360.458	1.179	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2C)cn1	ZINC000950385837	1009113438	/nfs/dbraw/zinc/11/34/38/1009113438.db2.gz	CHMKVZYHTWVMPW-RDTXWAMCSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N(CCC)[C@H]2CC[N@H+](C)C2)cc1	ZINC000646767473	1009145354	/nfs/dbraw/zinc/14/53/54/1009145354.db2.gz	ZXECHCRAJWJBPK-KRWDZBQOSA-N	1	0	372.469	1.484	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(Cc4cc(C#N)ccc4F)C[C@H]32)CC[N@@H+]1C	ZINC000959968519	1009227509	/nfs/dbraw/zinc/22/75/09/1009227509.db2.gz	SDVSARPVFBHCNB-OCBLOMHFSA-N	1	0	370.472	1.974	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(Cc4ccc(C#N)c(F)c4)C[C@H]32)CC[N@@H+]1C	ZINC000959968425	1009227708	/nfs/dbraw/zinc/22/77/08/1009227708.db2.gz	RNBBSURIIMANCC-OCBLOMHFSA-N	1	0	370.472	1.974	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1	ZINC000646954987	1009335560	/nfs/dbraw/zinc/33/55/60/1009335560.db2.gz	IAKZUBNSTGVXOM-IBGZPJMESA-N	1	0	371.481	1.748	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccccc2C#N)O1	ZINC000960043094	1009374866	/nfs/dbraw/zinc/37/48/66/1009374866.db2.gz	BSSCGXVWBGATCY-LSTHTHJFSA-N	1	0	370.497	1.748	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c(C)cccc2F)C1	ZINC000950648568	1009469402	/nfs/dbraw/zinc/46/94/02/1009469402.db2.gz	RBMMQGLHGRLDIZ-NXHRZFHOSA-N	1	0	371.456	1.808	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccnc(OC)n1	ZINC000960136293	1009572533	/nfs/dbraw/zinc/57/25/33/1009572533.db2.gz	RIZNXSRELXEARM-BBWFWOEESA-N	1	0	360.458	1.547	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1C(N)=O	ZINC000960137265	1009575838	/nfs/dbraw/zinc/57/58/38/1009575838.db2.gz	MBEIJQNJTMLCRC-BBWFWOEESA-N	1	0	370.453	1.159	20	30		FDEDRO
CCc1ccc(NC(=[NH2+])NCCCN2CCN(c3ncccn3)CC2)cc1	ZINC000303777889	1009577318	/nfs/dbraw/zinc/57/73/18/1009577318.db2.gz	JDVUGCDOWWFAAN-UHFFFAOYSA-N	1	0	367.501	1.978	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1snnc1C	ZINC000960140166	1009586642	/nfs/dbraw/zinc/58/66/42/1009586642.db2.gz	RYURBUOUPSCVEW-ZNMIVQPWSA-N	1	0	350.488	1.908	20	30		FDEDRO
CC[C@@H]1CCO[C@@H]1C(=O)NCC[NH+]1CCC(Nc2ccc(C#N)cn2)CC1	ZINC001111323637	1009615498	/nfs/dbraw/zinc/61/54/98/1009615498.db2.gz	NHXJSUVBAYFOSG-APWZRJJASA-N	1	0	371.485	1.761	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCC(C)(C)N1CCc2ccccc2C1	ZINC000303881441	1009670500	/nfs/dbraw/zinc/67/05/00/1009670500.db2.gz	HSVRTKINJLXAFA-UHFFFAOYSA-N	1	0	373.545	1.321	20	30		FDEDRO
Cc1cccc(NC(=[NH2+])NCCC(=O)N2CCN(c3ccccn3)CC2)c1	ZINC000303991078	1009794035	/nfs/dbraw/zinc/79/40/35/1009794035.db2.gz	ZECZDIHPWWKEFJ-UHFFFAOYSA-N	1	0	366.469	1.856	20	30		FDEDRO
C=CCn1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)nn1	ZINC000648351378	1010451214	/nfs/dbraw/zinc/45/12/14/1010451214.db2.gz	UTJIPEPVRJUHPB-RBUKOAKNSA-N	1	0	374.533	1.873	20	30		FDEDRO
CC(C)[C@H](CNC(=[NH2+])NCCCN1CCOCC1)NC(=O)OC(C)(C)C	ZINC000304750046	1010477433	/nfs/dbraw/zinc/47/74/33/1010477433.db2.gz	IAWXPRNOONEGPH-HNNXBMFYSA-N	1	0	371.526	1.162	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCC2(C(=O)N(C)C)CCCC2)CC1	ZINC000304763438	1010489698	/nfs/dbraw/zinc/48/96/98/1010489698.db2.gz	WUMAUSFEKZITAD-UHFFFAOYSA-N	1	0	367.494	1.160	20	30		FDEDRO
C=CC[C@H](CO)[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC	ZINC000648517488	1010504415	/nfs/dbraw/zinc/50/44/15/1010504415.db2.gz	SXFGVSRRTMTDTL-SMDDNHRTSA-N	1	0	371.275	1.989	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2ccc(C#N)cc2)C1	ZINC000960648071	1010539114	/nfs/dbraw/zinc/53/91/14/1010539114.db2.gz	QOVBBQDLZVBVEM-ATZDWAIDSA-N	1	0	368.481	1.896	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3OCCN(C(=O)C[C@H]4CC[N@@H+](C)C4)[C@H]3C2)C1	ZINC000960657034	1010553477	/nfs/dbraw/zinc/55/34/77/1010553477.db2.gz	FZRGZAWJILHUJO-IXDOHACOSA-N	1	0	361.486	1.123	20	30		FDEDRO
C[NH+](C)CCCNC(=S)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000779730872	1010863234	/nfs/dbraw/zinc/86/32/34/1010863234.db2.gz	RIZMIQXMMJGVPP-MRXNPFEDSA-N	1	0	359.499	1.469	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)c3ccccc3OCC#N)cn2)CC1	ZINC000194101917	1011129936	/nfs/dbraw/zinc/12/99/36/1011129936.db2.gz	OLBLBXCWFRXWPS-UHFFFAOYSA-N	1	0	365.437	1.666	20	30		FDEDRO
C=CCN1CC[C@@H](N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C3)C1=O	ZINC001095863525	1011966459	/nfs/dbraw/zinc/96/64/59/1011966459.db2.gz	SVONZOSUCDTGLF-VSZNYVQBSA-N	1	0	374.529	1.369	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CCN3C(=O)[C@@H]2C[C@H]2CC)CC1	ZINC000963214116	1011992903	/nfs/dbraw/zinc/99/29/03/1011992903.db2.gz	MVLCPZZNHWERLU-AFYVEPGGSA-N	1	0	371.525	1.970	20	30		FDEDRO
Cn1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)c[nH]c1=O	ZINC001095869809	1012005939	/nfs/dbraw/zinc/00/59/39/1012005939.db2.gz	RRVABYJNWIITGP-PMPSAXMXSA-N	1	0	351.410	1.533	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC000952759176	1012009685	/nfs/dbraw/zinc/00/96/85/1012009685.db2.gz	CULFUHGPSHBTHU-WCXIOVBPSA-N	1	0	363.502	1.510	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+](CC(=O)NC)C2)CC1	ZINC000961411854	1012349509	/nfs/dbraw/zinc/34/95/09/1012349509.db2.gz	PKUFQYOXFHWWRW-KSZLIROESA-N	1	0	363.502	1.274	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCN1C(=O)C(C)C)C2	ZINC001111421071	1012497518	/nfs/dbraw/zinc/49/75/18/1012497518.db2.gz	HTDKFJOLUKOJGU-ZJPYXAASSA-N	1	0	363.502	1.558	20	30		FDEDRO
CN(C)C(=O)[C@H]1CC[C@@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)O1	ZINC000305778211	1012501779	/nfs/dbraw/zinc/50/17/79/1012501779.db2.gz	QLBZCXGWNNAMON-GXFFZTMASA-N	1	0	374.363	1.948	20	30		FDEDRO
CC(C)OC(=O)CCCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000305791055	1012547187	/nfs/dbraw/zinc/54/71/87/1012547187.db2.gz	AUPSVCAIVISDLN-AWEZNQCLSA-N	1	0	368.478	1.599	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NC2CC(C[NH2+]Cc3ccccc3C#N)C2)C1	ZINC000961847948	1012937860	/nfs/dbraw/zinc/93/78/60/1012937860.db2.gz	KPYIXVHJRAZGGP-YHDCKOJYSA-N	1	0	354.454	1.457	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ccn(C)c(=O)c2)C1	ZINC000961848752	1012939820	/nfs/dbraw/zinc/93/98/20/1012939820.db2.gz	TWMXWACRBAUGSI-HIEASXQVSA-N	1	0	359.470	1.351	20	30		FDEDRO
C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCO[C@H]3c3cnn(C)c3)C2)C1	ZINC000963961358	1013013439	/nfs/dbraw/zinc/01/34/39/1013013439.db2.gz	PHCWHHBAAQTDBP-INFDXNDLSA-N	1	0	356.470	1.538	20	30		FDEDRO
CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000190613526	178013640	/nfs/dbraw/zinc/01/36/40/178013640.db2.gz	UZZRUOVDVMCACL-YJBOKZPZSA-N	1	0	356.470	1.896	20	30		FDEDRO
C=CCn1c([C@H](C)OCCOC)nnc1N1CC[NH+](CC(C)C)CC1	ZINC000508470721	538933243	/nfs/dbraw/zinc/93/32/43/538933243.db2.gz	DFYLLTRBPYCZEP-INIZCTEOSA-N	1	0	351.495	1.966	20	30		FDEDRO
C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C1	ZINC000194917546	178230367	/nfs/dbraw/zinc/23/03/67/178230367.db2.gz	RVLKQFIPFOTTAH-TXEJJXNPSA-N	1	0	366.343	1.536	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@@H](CN4CCOCC4)C3)C2=O)cc1	ZINC000245537682	178364786	/nfs/dbraw/zinc/36/47/86/178364786.db2.gz	YKQSIHFXBMGJIN-ICSRJNTNSA-N	1	0	368.481	1.708	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC1CC[NH+](CCO)CC1	ZINC000511859744	538965029	/nfs/dbraw/zinc/96/50/29/538965029.db2.gz	OYKMYFGBEODDHK-UHFFFAOYSA-N	1	0	360.458	1.029	20	30		FDEDRO
C[C@H]([NH2+]CCN1CCN(c2ncccn2)CC1)c1ccc(C#N)cc1F	ZINC000512643580	538978324	/nfs/dbraw/zinc/97/83/24/538978324.db2.gz	XQYQTJBUHOBZSB-HNNXBMFYSA-N	1	0	354.433	1.960	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C	ZINC000512433496	538974849	/nfs/dbraw/zinc/97/48/49/538974849.db2.gz	MBYQJBKVMQWOOU-YSIASYRMSA-N	1	0	360.498	1.950	20	30		FDEDRO
CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	ZINC000518845509	539454019	/nfs/dbraw/zinc/45/40/19/539454019.db2.gz	VZSCATSVUNLOOK-UHFFFAOYSA-N	1	0	367.409	1.704	20	30		FDEDRO
C=CCCCNC(=O)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1	ZINC000520280094	539506706	/nfs/dbraw/zinc/50/67/06/539506706.db2.gz	KWMXEZJOKQWVBL-UHFFFAOYSA-N	1	0	361.408	1.990	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3cc(C#N)ccc3OC)C2)CC1	ZINC000264488988	179121068	/nfs/dbraw/zinc/12/10/68/179121068.db2.gz	VMEKEMUBGVWKRM-INIZCTEOSA-N	1	0	357.458	1.811	20	30		FDEDRO
COC(=O)CSCCC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000264553948	179134197	/nfs/dbraw/zinc/13/41/97/179134197.db2.gz	PILIDMHCJBPGBY-UHFFFAOYSA-N	1	0	363.483	1.745	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(CC(=O)NCc2ccc(C#N)cc2)CC1	ZINC000264608970	179147114	/nfs/dbraw/zinc/14/71/14/179147114.db2.gz	MXLJMJOVAUDYQB-FQEVSTJZSA-N	1	0	369.513	1.276	20	30		FDEDRO
C[NH+](C)CCNC(=O)C1CCN(C(=O)/C=C/c2cccc(C#N)c2)CC1	ZINC000264945368	179247489	/nfs/dbraw/zinc/24/74/89/179247489.db2.gz	WYGKFNJYONXEOG-VOTSOKGWSA-N	1	0	354.454	1.488	20	30		FDEDRO
CNC(=[NH2+])NCc1cc(Cl)c(I)cc1OC	ZINC000280116836	675383491	/nfs/dbraw/zinc/38/34/91/675383491.db2.gz	WDRPKFZBRJQODD-UHFFFAOYSA-N	1	0	353.591	1.987	20	30		FDEDRO
CC(C)N(CCC#N)C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1	ZINC000525863404	539691163	/nfs/dbraw/zinc/69/11/63/539691163.db2.gz	LQNNIKZKRPVNOA-UHFFFAOYSA-N	1	0	373.457	1.666	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[NH2+]C[C@H]2C(C)C)c1	ZINC000528047432	539728360	/nfs/dbraw/zinc/72/83/60/539728360.db2.gz	LAEGTVBCCWZJAJ-INIZCTEOSA-N	1	0	351.472	1.221	20	30		FDEDRO
C[C@@H]1C[C@@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)C[N@@H+]1Cc1ccccc1	ZINC000268125937	180003428	/nfs/dbraw/zinc/00/34/28/180003428.db2.gz	GWXTVYIKDWPZFA-UKRRQHHQSA-N	1	0	353.426	1.031	20	30		FDEDRO
CC(C)(Oc1ccc(C#N)cc1)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O	ZINC000268881493	180172459	/nfs/dbraw/zinc/17/24/59/180172459.db2.gz	FLVOHJRMMHFWSC-MRXNPFEDSA-N	1	0	358.442	1.172	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)c(F)c1	ZINC000269355965	180282560	/nfs/dbraw/zinc/28/25/60/180282560.db2.gz	UEOFGJJFUHZHGK-UHFFFAOYSA-N	1	0	374.416	1.397	20	30		FDEDRO
COC(=O)C[C@H]1CSCCN1[C@@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000269580182	180334556	/nfs/dbraw/zinc/33/45/56/180334556.db2.gz	FESWWUNJMLORHF-JKSUJKDBSA-N	1	0	359.451	1.644	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCCCO[C@@H]2CCOC2)cc1OC	ZINC000268068936	674071913	/nfs/dbraw/zinc/07/19/13/674071913.db2.gz	IYRJHVVPSDFSAW-OAHLLOKOSA-N	1	0	351.447	1.346	20	30		FDEDRO
CC(C)[NH+](CCNC(=O)C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1)C(C)C	ZINC000269711138	180368015	/nfs/dbraw/zinc/36/80/15/180368015.db2.gz	NUUFZLAXJHOBRC-UHFFFAOYSA-N	1	0	373.501	1.974	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCCN(c2ncccn2)C1	ZINC000530229973	539914763	/nfs/dbraw/zinc/91/47/63/539914763.db2.gz	CDRBPQQSSFOJHK-DLBZAZTESA-N	1	0	353.426	1.347	20	30		FDEDRO
Cc1cc(N2CCC([NH2+]C[C@@H](O)COc3ccccc3C#N)CC2)n[nH]1	ZINC000530232172	539915238	/nfs/dbraw/zinc/91/52/38/539915238.db2.gz	OEUFQJSOMOOUNI-QGZVFWFLSA-N	1	0	355.442	1.588	20	30		FDEDRO
Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC(CC#N)CC1	ZINC000530430573	539971428	/nfs/dbraw/zinc/97/14/28/539971428.db2.gz	QEJHLFXXEIOFII-UHFFFAOYSA-N	1	0	353.492	1.376	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1	ZINC000268274878	674086544	/nfs/dbraw/zinc/08/65/44/674086544.db2.gz	VWRVCZQEEDIUOT-SUMWQHHRSA-N	1	0	363.483	1.363	20	30		FDEDRO
CCn1nccc1S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000274521695	181113470	/nfs/dbraw/zinc/11/34/70/181113470.db2.gz	WSLDGIZFNWXNTE-UHFFFAOYSA-N	1	0	361.471	1.527	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@@H]1[NH+](C)C	ZINC000274833264	181173027	/nfs/dbraw/zinc/17/30/27/181173027.db2.gz	ZXAGZYMEZHUJTM-QWHCGFSZSA-N	1	0	359.904	1.878	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(c2cccc(C#N)n2)CC1	ZINC000546895023	542253736	/nfs/dbraw/zinc/25/37/36/542253736.db2.gz	JKODPKDSOPPCFV-YOEHRIQHSA-N	1	0	354.458	1.268	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](N2CCNC2=O)C1	ZINC000533034438	540195985	/nfs/dbraw/zinc/19/59/85/540195985.db2.gz	OUHLURYONLEVKE-ROUUACIJSA-N	1	0	359.470	1.644	20	30		FDEDRO
CC[NH+]1CCC(CCNC(=O)C(=O)Nc2cc(C)nn2CCC#N)CC1	ZINC000533321710	540232078	/nfs/dbraw/zinc/23/20/78/540232078.db2.gz	MFSQKLRRKJKRFS-UHFFFAOYSA-N	1	0	360.462	1.282	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(C#N)cc1F	ZINC000533330995	540233454	/nfs/dbraw/zinc/23/34/54/540233454.db2.gz	ZNMUTLVFSDIYMH-FVQBIDKESA-N	1	0	367.446	1.570	20	30		FDEDRO
CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)C1	ZINC000533460165	540250896	/nfs/dbraw/zinc/25/08/96/540250896.db2.gz	FOMTZPTUERYVML-HNNXBMFYSA-N	1	0	360.462	1.234	20	30		FDEDRO
COC(=O)c1cccc(CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1C#N	ZINC000535965509	540532063	/nfs/dbraw/zinc/53/20/63/540532063.db2.gz	YTZQKIOSCURJAN-SFHVURJKSA-N	1	0	370.453	1.083	20	30		FDEDRO
COc1cc(NC(=O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)cc(OC)c1	ZINC000536340698	540580999	/nfs/dbraw/zinc/58/09/99/540580999.db2.gz	HZPJGOCSTINIDY-UHFFFAOYSA-N	1	0	372.429	1.384	20	30		FDEDRO
COc1cc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)ccc1OCCO	ZINC000537078271	540682266	/nfs/dbraw/zinc/68/22/66/540682266.db2.gz	ZBJVSPFKRIXRCU-KUHUBIRLSA-N	1	0	363.458	1.771	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1	ZINC000538252772	540832281	/nfs/dbraw/zinc/83/22/81/540832281.db2.gz	NJVHPJYRNZZAIK-IRXDYDNUSA-N	1	0	358.486	1.744	20	30		FDEDRO
C[C@]1(F)CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000538392306	540852290	/nfs/dbraw/zinc/85/22/90/540852290.db2.gz	BTOVECMHMUSUKH-MJGOQNOKSA-N	1	0	362.424	1.968	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H](C)C(=O)N1CCCC1)C(C)C	ZINC000538611252	540873066	/nfs/dbraw/zinc/87/30/66/540873066.db2.gz	AWBFFXSOCNKHST-DLBZAZTESA-N	1	0	350.507	1.995	20	30		FDEDRO
N#CC1(NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)CC[NH+](Cc2ccccc2)CC1	ZINC000538699789	540882011	/nfs/dbraw/zinc/88/20/11/540882011.db2.gz	OGQSDPCWDNBBHV-QGZVFWFLSA-N	1	0	366.465	1.672	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)CC1([NH+]2CCOCC2)CCCC1	ZINC000539357316	540950977	/nfs/dbraw/zinc/95/09/77/540950977.db2.gz	XLIGTEMXGWQONK-UHFFFAOYSA-N	1	0	374.489	1.290	20	30		FDEDRO
C=CCNC(=O)C[NH2+]Cc1ccc(OCC(=O)N2CCCC2)c(OC)c1	ZINC000540731534	541092826	/nfs/dbraw/zinc/09/28/26/541092826.db2.gz	BFZKNAQDRXGGGS-UHFFFAOYSA-N	1	0	361.442	1.088	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1	ZINC000541900530	541293658	/nfs/dbraw/zinc/29/36/58/541293658.db2.gz	IXKDJFQXNWWMHE-CQSZACIVSA-N	1	0	361.494	1.415	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1	ZINC000541900529	541293811	/nfs/dbraw/zinc/29/38/11/541293811.db2.gz	IXKDJFQXNWWMHE-AWEZNQCLSA-N	1	0	361.494	1.415	20	30		FDEDRO
COc1ccc(CCN2C(=O)C[C@H]([NH+]3CCC(CC#N)CC3)C2=O)cc1	ZINC000541906032	541296313	/nfs/dbraw/zinc/29/63/13/541296313.db2.gz	JRAOKONXLNOYGF-SFHVURJKSA-N	1	0	355.438	1.991	20	30		FDEDRO
C[NH2+]CCCC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1	ZINC000269254375	674108127	/nfs/dbraw/zinc/10/81/27/674108127.db2.gz	NXGJEUZILWKCLC-XDJHFCHBSA-N	1	0	352.460	1.438	20	30		FDEDRO
O=C(C[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000542252755	541365732	/nfs/dbraw/zinc/36/57/32/541365732.db2.gz	DBABKNHUOYSDLU-BHYGNILZSA-N	1	0	366.383	1.876	20	30		FDEDRO
Cc1cc(C(=O)NCCN2CCO[C@H](C)C2)nn1-c1cccc(C#N)c1	ZINC000542809298	541475442	/nfs/dbraw/zinc/47/54/42/541475442.db2.gz	WFZLSGSPUGFBPQ-OAHLLOKOSA-N	1	0	353.426	1.503	20	30		FDEDRO
Cc1cc(C(=O)NCCN2CCO[C@@H](C)C2)nn1-c1cccc(C#N)c1	ZINC000542809296	541475535	/nfs/dbraw/zinc/47/55/35/541475535.db2.gz	WFZLSGSPUGFBPQ-HNNXBMFYSA-N	1	0	353.426	1.503	20	30		FDEDRO
C[C@@H](C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1)n1cnc(C#N)n1	ZINC000542831981	541482100	/nfs/dbraw/zinc/48/21/00/541482100.db2.gz	WAJWGAMPRMNFQB-LBPRGKRZSA-N	1	0	373.848	1.755	20	30		FDEDRO
Cc1ccccc1[C@H](CO)[NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000542910751	541500335	/nfs/dbraw/zinc/50/03/35/541500335.db2.gz	ZAMPAWPIIBXOFB-RBUKOAKNSA-N	1	0	358.486	1.310	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1)c1ccc(C#N)cc1	ZINC000284100156	182365083	/nfs/dbraw/zinc/36/50/83/182365083.db2.gz	TZTQFGYEAVNZRP-HNNXBMFYSA-N	1	0	368.437	1.919	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)NCc1cccc(C#N)c1)c1cccs1	ZINC000284551279	182522381	/nfs/dbraw/zinc/52/23/81/182522381.db2.gz	VDVRNVTUXFCGTF-OAHLLOKOSA-N	1	0	356.451	1.655	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1C#N	ZINC000285350324	182782279	/nfs/dbraw/zinc/78/22/79/182782279.db2.gz	ATZQWXDDMYCBNO-GOEBONIOSA-N	1	0	351.472	1.764	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](C(=O)NCCC[NH+]3CCC(O)CC3)C2)c(F)c1	ZINC000286321946	183039611	/nfs/dbraw/zinc/03/96/11/183039611.db2.gz	QBJGVNMHMOFSHD-MRXNPFEDSA-N	1	0	374.460	1.487	20	30		FDEDRO
CC1=CC[N@H+](CCNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1	ZINC000546566777	542165049	/nfs/dbraw/zinc/16/50/49/542165049.db2.gz	NRGJCSGPZORHMI-UHFFFAOYSA-N	1	0	354.458	1.437	20	30		FDEDRO
CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(S(=O)(=O)c2ccc(C#N)c(C)c2)C1	ZINC000286412732	183060353	/nfs/dbraw/zinc/06/03/53/183060353.db2.gz	OKQJMXDYIKJYTO-IRXDYDNUSA-N	1	0	363.483	1.741	20	30		FDEDRO
Cc1nc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)ccc1C#N	ZINC000286474535	183076068	/nfs/dbraw/zinc/07/60/68/183076068.db2.gz	ZVVQFJHQTNUQCL-MQVJKMGUSA-N	1	0	355.442	1.075	20	30		FDEDRO
C[NH+](C)[C@H]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)C1	ZINC000286956608	183181376	/nfs/dbraw/zinc/18/13/76/183181376.db2.gz	RCJORINRGWFOQR-JTQLQIEISA-N	1	0	358.261	1.645	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CNC(=O)c2c(F)cccc2Cl)CC1	ZINC000546717106	542207815	/nfs/dbraw/zinc/20/78/15/542207815.db2.gz	QLRLAAWRZVGTRB-UHFFFAOYSA-N	1	0	352.797	1.313	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC[N@H+](C)CCCOC	ZINC000288090709	183390884	/nfs/dbraw/zinc/39/08/84/183390884.db2.gz	HVZNCVCLXQOWFC-UHFFFAOYSA-N	1	0	374.485	1.381	20	30		FDEDRO
N#CC1(CS(=O)(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CCCC1	ZINC000546768031	542221923	/nfs/dbraw/zinc/22/19/23/542221923.db2.gz	JMBPSEYOCYVNIU-UHFFFAOYSA-N	1	0	369.531	1.977	20	30		FDEDRO
C[C@@H](CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)N1CC[NH+](C)CC1	ZINC000294851695	184013852	/nfs/dbraw/zinc/01/38/52/184013852.db2.gz	SMDGZQPRCADBST-NSHDSACASA-N	1	0	355.364	1.338	20	30		FDEDRO
CC[NH+]1CCN(CCNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1	ZINC000294865633	184014530	/nfs/dbraw/zinc/01/45/30/184014530.db2.gz	UBBNGXZBPPXIDL-UHFFFAOYSA-N	1	0	355.364	1.339	20	30		FDEDRO
C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cn1)[C@H](c1ccccc1)[NH+](C)C	ZINC000294864900	184014886	/nfs/dbraw/zinc/01/48/86/184014886.db2.gz	TYRMLQOUSZSNIG-SUMWQHHRSA-N	1	0	351.410	1.699	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)cc2C#N)C1	ZINC000294733345	184004799	/nfs/dbraw/zinc/00/47/99/184004799.db2.gz	VXCWYUJENDAWLW-ZDUSSCGKSA-N	1	0	352.232	1.771	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)Cc2ccc(F)cc2C#N)C[C@H]1[NH+](C)C	ZINC000295141618	184037947	/nfs/dbraw/zinc/03/79/47/184037947.db2.gz	LAZBDHLXOXRTON-HUUCEWRRSA-N	1	0	357.476	1.505	20	30		FDEDRO
N#Cc1cc(F)ccc1CS(=O)(=O)N1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000295683892	184094640	/nfs/dbraw/zinc/09/46/40/184094640.db2.gz	SDFXSWWGHRLIKE-AWEZNQCLSA-N	1	0	351.447	1.945	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NC3CC[NH+](C4CCC4)CC3)CC2)nc1	ZINC000297099307	184234985	/nfs/dbraw/zinc/23/49/85/184234985.db2.gz	PFUXNDGZOIBRFP-UHFFFAOYSA-N	1	0	368.485	1.802	20	30		FDEDRO
Cc1nsc(NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c1C#N	ZINC000297461740	184274616	/nfs/dbraw/zinc/27/46/16/184274616.db2.gz	QFGMVGPHJKIMLC-UHFFFAOYSA-N	1	0	350.492	1.813	20	30		FDEDRO
CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N(C)Cc1ccc(C#N)cc1	ZINC000297629929	184298910	/nfs/dbraw/zinc/29/89/10/184298910.db2.gz	IYYCMPDOEFLHJM-UHFFFAOYSA-N	1	0	374.485	1.333	20	30		FDEDRO
CS[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000297743690	184320493	/nfs/dbraw/zinc/32/04/93/184320493.db2.gz	HHXHTDOAZORWRE-QGZVFWFLSA-N	1	0	374.510	1.412	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1nnc(C2CC2)[nH]1	ZINC000298032430	184378855	/nfs/dbraw/zinc/37/88/55/184378855.db2.gz	GUYVLOCPGMZNHC-UHFFFAOYSA-N	1	0	367.457	1.827	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C	ZINC000547416963	542335886	/nfs/dbraw/zinc/33/58/86/542335886.db2.gz	FOAZPPQISSVGBK-AWEZNQCLSA-N	1	0	372.450	1.986	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cnc2n1CCC2	ZINC000548117711	542559540	/nfs/dbraw/zinc/55/95/40/542559540.db2.gz	WGXQBSUMDGZPBT-UHFFFAOYSA-N	1	0	373.482	1.453	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CNS(=O)(=O)c2ccc(C#N)nc2)cc1	ZINC000170664606	258264201	/nfs/dbraw/zinc/26/42/01/258264201.db2.gz	QDDRCUWYTGAODQ-UHFFFAOYSA-N	1	0	360.439	1.372	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3C)C2)CC1	ZINC000172675263	258282333	/nfs/dbraw/zinc/28/23/33/258282333.db2.gz	JKKZUGXMSPAQBO-KRWDZBQOSA-N	1	0	362.499	1.267	20	30		FDEDRO
C=CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1	ZINC000548855746	542792655	/nfs/dbraw/zinc/79/26/55/542792655.db2.gz	XWPRKHMMUTUHJB-QZTJIDSGSA-N	1	0	374.533	1.573	20	30		FDEDRO
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1CC[NH+](C)CC1	ZINC000549990874	542984197	/nfs/dbraw/zinc/98/41/97/542984197.db2.gz	GIEDJTHBQFVSDF-UHFFFAOYSA-N	1	0	356.470	1.753	20	30		FDEDRO
N#CC1CCN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1	ZINC000550402115	543093319	/nfs/dbraw/zinc/09/33/19/543093319.db2.gz	LIUYZCWCAQLYHD-HNNXBMFYSA-N	1	0	360.483	1.763	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)c1C#N	ZINC000551331270	543271864	/nfs/dbraw/zinc/27/18/64/543271864.db2.gz	MCDFANOXDBJTSA-UHFFFAOYSA-N	1	0	372.385	1.531	20	30		FDEDRO
Cc1cc(=NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[nH]n1CCC#N	ZINC000551993562	543400459	/nfs/dbraw/zinc/40/04/59/543400459.db2.gz	LAWZJLVKBCEAJA-IBGZPJMESA-N	1	0	353.426	1.681	20	30		FDEDRO
C=CCOc1ccccc1C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1	ZINC000552045621	543410582	/nfs/dbraw/zinc/41/05/82/543410582.db2.gz	KUAAAINJROKFBT-KRWDZBQOSA-N	1	0	357.454	1.676	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(c2ncccc2C#N)CC1)[NH+]1CCC(C)CC1	ZINC000067706075	172013023	/nfs/dbraw/zinc/01/30/23/172013023.db2.gz	DIXGITODUDSJTP-KRWDZBQOSA-N	1	0	370.501	1.905	20	30		FDEDRO
C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000073350386	172061449	/nfs/dbraw/zinc/06/14/49/172061449.db2.gz	OBQQSQBVTAQCEO-XLIONFOSSA-N	1	0	370.497	1.750	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1	ZINC000076486532	172110499	/nfs/dbraw/zinc/11/04/99/172110499.db2.gz	IJDQULHTRTZJGY-KRWDZBQOSA-N	1	0	370.497	1.812	20	30		FDEDRO
C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000079290731	172160165	/nfs/dbraw/zinc/16/01/65/172160165.db2.gz	KTIQTNYUXYQWFE-MRXNPFEDSA-N	1	0	356.474	1.659	20	30		FDEDRO
COCCOCCCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000103319810	172364256	/nfs/dbraw/zinc/36/42/56/172364256.db2.gz	RXGVHUUQBUWIRK-UHFFFAOYSA-N	1	0	374.485	1.829	20	30		FDEDRO
CN(CC1CC[NH+](C)CC1)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000103451517	172365865	/nfs/dbraw/zinc/36/58/65/172365865.db2.gz	YBBQPCHSYVRSSZ-UHFFFAOYSA-N	1	0	363.483	1.273	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1	ZINC000103492823	172367888	/nfs/dbraw/zinc/36/78/88/172367888.db2.gz	CPWSLNJCKDIICG-INIZCTEOSA-N	1	0	371.485	1.371	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(CC(=O)Nc2sccc2C#N)CC1	ZINC000103492870	172368222	/nfs/dbraw/zinc/36/82/22/172368222.db2.gz	HUOWFTDJPQCRIC-UHFFFAOYSA-N	1	0	363.487	1.044	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(F)nc1	ZINC000126471559	173042622	/nfs/dbraw/zinc/04/26/22/173042622.db2.gz	DDFYJPFOUCTSCU-UHFFFAOYSA-N	1	0	369.400	1.621	20	30		FDEDRO
CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000134169976	173319898	/nfs/dbraw/zinc/31/98/98/173319898.db2.gz	DFDPAQSSPPIUAW-ZDUSSCGKSA-N	1	0	360.462	1.248	20	30		FDEDRO
CC[NH+](CC)CCN(CCOC)CC(=O)Nc1oc(C)c(C)c1C#N	ZINC000155730192	173558456	/nfs/dbraw/zinc/55/84/56/173558456.db2.gz	ZPBWKBSHPMRGPL-UHFFFAOYSA-N	1	0	350.463	1.997	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1	ZINC000181341584	174217726	/nfs/dbraw/zinc/21/77/26/174217726.db2.gz	HTBIZKWFMHELQQ-UHFFFAOYSA-N	1	0	360.462	1.437	20	30		FDEDRO
CC[C@H](CO)[NH+]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC000180214881	258364300	/nfs/dbraw/zinc/36/43/00/258364300.db2.gz	SQIYMVHSLHADCC-LJQANCHMSA-N	1	0	353.470	1.847	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1	ZINC000178699219	258332716	/nfs/dbraw/zinc/33/27/16/258332716.db2.gz	PPJBMCHABKCWGI-OAHLLOKOSA-N	1	0	365.499	1.580	20	30		FDEDRO
CC[C@@H]1CN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1C[C@@H](C)O	ZINC000182751046	258378486	/nfs/dbraw/zinc/37/84/86/258378486.db2.gz	MWXOCSZADUKDOE-YVWKXTFCSA-N	1	0	370.497	1.831	20	30		FDEDRO
CC(C)(O)C[NH+]1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000182742349	258378834	/nfs/dbraw/zinc/37/88/34/258378834.db2.gz	RPOPTMUAFLTPHY-SFHVURJKSA-N	1	0	356.470	1.442	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCc3cc(F)cc(C)c3C2)CC1	ZINC000553675250	543678695	/nfs/dbraw/zinc/67/86/95/543678695.db2.gz	QRXBCQAQLFDGJZ-UHFFFAOYSA-N	1	0	359.445	1.785	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc(Br)c2C#N)C1	ZINC000553830763	543701991	/nfs/dbraw/zinc/70/19/91/543701991.db2.gz	UANWBULHUZHZGZ-NSHDSACASA-N	1	0	372.288	1.941	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1	ZINC000553886419	543710822	/nfs/dbraw/zinc/71/08/22/543710822.db2.gz	JWQCGGRRWULFNV-XJKSGUPXSA-N	1	0	356.467	1.744	20	30		FDEDRO
C[C@@H]1CN(C[C@H](O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)C[C@@H](C)O1	ZINC000554566060	543825777	/nfs/dbraw/zinc/82/57/77/543825777.db2.gz	IUYTZIKAPHSTGW-KZNAEPCWSA-N	1	0	358.486	1.409	20	30		FDEDRO
Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@H](C)c1ccc(C#N)cc1	ZINC000554847423	543880566	/nfs/dbraw/zinc/88/05/66/543880566.db2.gz	DFUMYLKGCDDETD-CYBMUJFWSA-N	1	0	372.450	1.803	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1	ZINC000555739350	544017843	/nfs/dbraw/zinc/01/78/43/544017843.db2.gz	JMMTVPHUUUTUDG-DLBZAZTESA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CCn2ccnc2C1)C(C)C	ZINC000556203851	544117198	/nfs/dbraw/zinc/11/71/98/544117198.db2.gz	CLKHDKGFOFQAHQ-IAGOWNOFSA-N	1	0	373.501	1.129	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000556862109	544215678	/nfs/dbraw/zinc/21/56/78/544215678.db2.gz	QDYMTETZUDIKOQ-MSOLQXFVSA-N	1	0	359.470	1.656	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@](C)(c3ccccc3)C2)CC1	ZINC000557731057	544337458	/nfs/dbraw/zinc/33/74/58/544337458.db2.gz	OETQEYHXHHISRS-NRFANRHFSA-N	1	0	355.482	1.943	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(C#N)CC2)[C@@H](C)C1	ZINC000558333028	544411542	/nfs/dbraw/zinc/41/15/42/544411542.db2.gz	SEHJODBJLKZYFV-DOTOQJQBSA-N	1	0	364.490	1.002	20	30		FDEDRO
C[NH+](C)CCOc1cccc(CNS(=O)(=O)CC2(C#N)CCC2)c1	ZINC000558431975	544430621	/nfs/dbraw/zinc/43/06/21/544430621.db2.gz	IOMBMGKGSTXECT-UHFFFAOYSA-N	1	0	351.472	1.740	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)[C@H](C)C1	ZINC000302762128	259045650	/nfs/dbraw/zinc/04/56/50/259045650.db2.gz	KNPHGMKJNYSIJE-OLZOCXBDSA-N	1	0	355.398	1.906	20	30		FDEDRO
CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1sccc1C#N	ZINC000330606704	259153227	/nfs/dbraw/zinc/15/32/27/259153227.db2.gz	KUBZBVSVZPDYEW-STQMWFEESA-N	1	0	370.500	1.398	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)[C@@H](C)C1	ZINC000330993182	259172518	/nfs/dbraw/zinc/17/25/18/259172518.db2.gz	LCPWDXYEQQJWEZ-JSGCOSHPSA-N	1	0	366.443	1.817	20	30		FDEDRO
CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc(C#N)s2)CC1	ZINC000331237730	259182561	/nfs/dbraw/zinc/18/25/61/259182561.db2.gz	LGVCWODCUVKBQI-ZDUSSCGKSA-N	1	0	356.517	1.172	20	30		FDEDRO
Cc1cc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c(C#N)cc1N(C)C	ZINC000331249391	259183049	/nfs/dbraw/zinc/18/30/49/259183049.db2.gz	YENWUSYLILCKLQ-HUUCEWRRSA-N	1	0	359.474	1.852	20	30		FDEDRO
C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[C@H]1[NH3+]	ZINC000331904792	259227855	/nfs/dbraw/zinc/22/78/55/259227855.db2.gz	SVHWCRVGOQKWAQ-XYPHTWIQSA-N	1	0	355.442	1.432	20	30		FDEDRO
C[C@H]1C[C@@H](N(C)C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC[N@@H+]1C	ZINC000332416005	259265174	/nfs/dbraw/zinc/26/51/74/259265174.db2.gz	UJTYREOSTXNXOB-GUYCJALGSA-N	1	0	352.442	1.881	20	30		FDEDRO
N#Cc1cccc(NC(=O)C2CC[NH+](C[C@@H]3CCS(=O)(=O)C3)CC2)c1	ZINC000333017879	259299219	/nfs/dbraw/zinc/29/92/19/259299219.db2.gz	HLQJOXRYFSPESB-HNNXBMFYSA-N	1	0	361.467	1.643	20	30		FDEDRO
N#Cc1ccc(OC2CCC(NC(=O)N3C[C@H]4CC[NH2+]C[C@H]4C3)CC2)nc1	ZINC000333779909	259380852	/nfs/dbraw/zinc/38/08/52/259380852.db2.gz	KSRFHYKFDAWIQW-VEZWFGLTSA-N	1	0	369.469	1.894	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@H]1CO	ZINC000366654203	259956450	/nfs/dbraw/zinc/95/64/50/259956450.db2.gz	OKUKVUZNFBIOOP-IRXDYDNUSA-N	1	0	363.483	1.477	20	30		FDEDRO
CN(C)S(=O)(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1	ZINC000367150913	260001545	/nfs/dbraw/zinc/00/15/45/260001545.db2.gz	KMPDXJCFNWVLIT-INIZCTEOSA-N	1	0	364.471	1.243	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)c1	ZINC000367163990	260004736	/nfs/dbraw/zinc/00/47/36/260004736.db2.gz	NDBOXUXUJSAZDI-GFCCVEGCSA-N	1	0	358.261	1.741	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cnc2c(c1)C[NH2+]CC2	ZINC000367372730	260031960	/nfs/dbraw/zinc/03/19/60/260031960.db2.gz	UPAIQSIXYYRQPT-UHFFFAOYSA-N	1	0	351.410	1.888	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCc3ccccc3OC2)nc1	ZINC000367992992	260120360	/nfs/dbraw/zinc/12/03/60/260120360.db2.gz	HNWZPXRMHDHJRY-MRXNPFEDSA-N	1	0	357.435	1.710	20	30		FDEDRO
N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCN3CCOC[C@@H]3C1)CCC2	ZINC000368327673	260166845	/nfs/dbraw/zinc/16/68/45/260166845.db2.gz	MKOUOVMEDLCQMG-ZDUSSCGKSA-N	1	0	360.483	1.453	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCCC34CCOCC4)CC2)o1	ZINC000368575417	260204617	/nfs/dbraw/zinc/20/46/17/260204617.db2.gz	HUPLMODGBNBWLE-UHFFFAOYSA-N	1	0	373.457	1.148	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CCN2CCC[C@H]([NH+]3CCCCC3)C2)nc1	ZINC000368578904	260205045	/nfs/dbraw/zinc/20/50/45/260205045.db2.gz	RCGAOPUYZNWEJY-KRWDZBQOSA-N	1	0	362.499	1.677	20	30		FDEDRO
CC(C)C[NH+]1CCC(NC(=O)N2CCC(n3cnc(C#N)n3)CC2)CC1	ZINC000369376719	260351768	/nfs/dbraw/zinc/35/17/68/260351768.db2.gz	YSPWJVBYVQTPPO-UHFFFAOYSA-N	1	0	359.478	1.617	20	30		FDEDRO
N#Cc1ccc(-c2nnc(CN3CC[NH+]([C@H]4CCC[C@H]4O)CC3)o2)cc1	ZINC000369825198	260438260	/nfs/dbraw/zinc/43/82/60/260438260.db2.gz	GXQUDOBRXLNJMZ-DLBZAZTESA-N	1	0	353.426	1.639	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCOc1ccc(C#N)cc1	ZINC000373321795	261000941	/nfs/dbraw/zinc/00/09/41/261000941.db2.gz	TYWVRUZDHMSSHF-INIZCTEOSA-N	1	0	372.469	1.832	20	30		FDEDRO
C[C@@H](C(=O)N1CCc2ccccc21)[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000373401237	261007481	/nfs/dbraw/zinc/00/74/81/261007481.db2.gz	WHNNALVDADANEB-AWEZNQCLSA-N	1	0	350.426	1.764	20	30		FDEDRO
COc1cccc(CNC(=O)[C@@H](C)[NH+]2CCC(n3cnc(C#N)n3)CC2)c1	ZINC000373413928	261008350	/nfs/dbraw/zinc/00/83/50/261008350.db2.gz	UIEUMSOXWKKXPT-CQSZACIVSA-N	1	0	368.441	1.500	20	30		FDEDRO
COC(=O)[C@H](C)Oc1ccc(C[NH+]2CCC(n3cnc(C#N)n3)CC2)cc1	ZINC000373491358	261014784	/nfs/dbraw/zinc/01/47/84/261014784.db2.gz	VCCJIDIHKFZNOK-AWEZNQCLSA-N	1	0	369.425	1.927	20	30		FDEDRO
Cc1cc(NC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)c(C#N)cc1N(C)C	ZINC000408472540	262112837	/nfs/dbraw/zinc/11/28/37/262112837.db2.gz	VSURIGIHJMTKOA-MSOLQXFVSA-N	1	0	357.458	1.870	20	30		FDEDRO
C[C@H](C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)n1cnc(C#N)n1	ZINC000409783733	262139807	/nfs/dbraw/zinc/13/98/07/262139807.db2.gz	CACSOKUQSSDXPC-WBVHZDCISA-N	1	0	352.442	1.834	20	30		FDEDRO
C[C@H](NC(=O)[C@H](C)n1cnc(C#N)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000409924467	262145699	/nfs/dbraw/zinc/14/56/99/262145699.db2.gz	TWYHTHWUQLAWSR-ZOBUZTSGSA-N	1	0	352.442	1.738	20	30		FDEDRO
C[NH+](C)Cc1ccccc1C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1	ZINC000972088032	782061813	/nfs/dbraw/zinc/06/18/13/782061813.db2.gz	JIOQWXHEOYWABA-UYAOXDASSA-N	1	0	365.477	1.835	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cnc3cc(C)ccn3c2=O)c1C#N	ZINC000534055258	490313479	/nfs/dbraw/zinc/31/34/79/490313479.db2.gz	JWFCJLCLMUGYMJ-UHFFFAOYSA-N	1	0	365.397	1.002	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)n1	ZINC000485000921	490488847	/nfs/dbraw/zinc/48/88/47/490488847.db2.gz	ADIAEPXCFLQMHY-UHFFFAOYSA-N	1	0	358.446	1.407	20	30		FDEDRO
COC(=O)c1ccccc1NC(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000535547022	490498897	/nfs/dbraw/zinc/49/88/97/490498897.db2.gz	BVAJCZMJPHDJTB-UHFFFAOYSA-N	1	0	370.413	1.153	20	30		FDEDRO
C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1	ZINC000515650122	490834749	/nfs/dbraw/zinc/83/47/49/490834749.db2.gz	JIYFQMNXRJFTQG-WDEREUQCSA-N	1	0	374.832	1.578	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)n1	ZINC000543759649	490945303	/nfs/dbraw/zinc/94/53/03/490945303.db2.gz	XXCHLUXVEJGXDS-INIZCTEOSA-N	1	0	354.389	1.211	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[NH+](C)C	ZINC000611870898	491879833	/nfs/dbraw/zinc/87/98/33/491879833.db2.gz	RDSZBWHERACKSE-LLVKDONJSA-N	1	0	374.832	1.402	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1	ZINC000019016022	518800194	/nfs/dbraw/zinc/80/01/94/518800194.db2.gz	UKBWIVNEEHKGTG-MRXNPFEDSA-N	1	0	361.442	1.419	20	30		FDEDRO
CCCCNC(=O)C1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000029928135	519334566	/nfs/dbraw/zinc/33/45/66/519334566.db2.gz	KWTKXBHTVFZKSL-SFHVURJKSA-N	1	0	359.470	1.926	20	30		FDEDRO
CC(C)C(=O)NCCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000043312687	521853143	/nfs/dbraw/zinc/85/31/43/521853143.db2.gz	MMWRHSHTWGCXKC-UHFFFAOYSA-N	1	0	359.474	1.404	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H](CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1	ZINC000069472563	521885751	/nfs/dbraw/zinc/88/57/51/521885751.db2.gz	IRVCIPSMZGIAFD-KRWDZBQOSA-N	1	0	363.483	1.321	20	30		FDEDRO
CC(=O)N1CCC(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1	ZINC000043880145	521907396	/nfs/dbraw/zinc/90/73/96/521907396.db2.gz	MWCMLMPMIZQOEP-UHFFFAOYSA-N	1	0	371.485	1.642	20	30		FDEDRO
CC[C@H](C)NC(=O)CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000056916468	521942418	/nfs/dbraw/zinc/94/24/18/521942418.db2.gz	ABCRONPLAQXCPC-INIZCTEOSA-N	1	0	373.501	1.936	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](CN2CCOCC2)C1	ZINC000069802939	521958490	/nfs/dbraw/zinc/95/84/90/521958490.db2.gz	PMMKPJNYIRUBMP-ZWKOTPCHSA-N	1	0	362.518	1.762	20	30		FDEDRO
C[C@H](CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[N@H+](C)C1CC1	ZINC000057720296	522144839	/nfs/dbraw/zinc/14/48/39/522144839.db2.gz	IUCLTXIOASJSQW-CYBMUJFWSA-N	1	0	364.471	1.091	20	30		FDEDRO
Cc1cccc(N2CC[NH+](CCC(=O)NC3(C#N)CCOCC3)CC2)c1	ZINC000073729949	522600251	/nfs/dbraw/zinc/60/02/51/522600251.db2.gz	KVMUPPXWUZEAQA-UHFFFAOYSA-N	1	0	356.470	1.696	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNC(=O)CSCc2ccc(C#N)cc2)CC1	ZINC000048229309	522697685	/nfs/dbraw/zinc/69/76/85/522697685.db2.gz	FIGWJCBECHQJHJ-MRXNPFEDSA-N	1	0	360.527	1.934	20	30		FDEDRO
C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1=O	ZINC000074220393	522720875	/nfs/dbraw/zinc/72/08/75/522720875.db2.gz	PWXQAFXVDVLNBL-CEXWTWQISA-N	1	0	368.481	1.695	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)CC1	ZINC000050027627	522878657	/nfs/dbraw/zinc/87/86/57/522878657.db2.gz	ZSINRVDTNFCMMQ-UHFFFAOYSA-N	1	0	357.439	1.521	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NCCC[NH+]1CCCCCC1	ZINC000050146462	522891060	/nfs/dbraw/zinc/89/10/60/522891060.db2.gz	CQGGGVUUOWMZNC-UHFFFAOYSA-N	1	0	358.442	1.888	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(CC[NH+]2CCCC2)CC1	ZINC000075694649	522957592	/nfs/dbraw/zinc/95/75/92/522957592.db2.gz	WOEUNBNGELZAKW-KRWDZBQOSA-N	1	0	356.470	1.566	20	30		FDEDRO
Cc1noc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000066206003	522981991	/nfs/dbraw/zinc/98/19/91/522981991.db2.gz	WPFZQZLQWMXYMU-UHFFFAOYSA-N	1	0	354.414	1.667	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CCCC1	ZINC000066240624	522995466	/nfs/dbraw/zinc/99/54/66/522995466.db2.gz	KAIFDUIIXDQIQF-UHFFFAOYSA-N	1	0	352.442	1.930	20	30		FDEDRO
CC(C)[N@@H+](CC(=O)NCC#N)C[C@@H](O)COc1cccc2ccccc21	ZINC000066498074	523086994	/nfs/dbraw/zinc/08/69/94/523086994.db2.gz	DWROXZGZSFBSJI-QGZVFWFLSA-N	1	0	355.438	1.930	20	30		FDEDRO
C[NH+]1CCN(CCNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1	ZINC000076483308	523123694	/nfs/dbraw/zinc/12/36/94/523123694.db2.gz	GRHMLLPBGUPUCV-UHFFFAOYSA-N	1	0	368.437	1.707	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)CC2)c1	ZINC000076984219	523223589	/nfs/dbraw/zinc/22/35/89/523223589.db2.gz	QGLIBIMGOOOHIY-KRWDZBQOSA-N	1	0	368.485	1.802	20	30		FDEDRO
CCOc1ccccc1N1C[C@H](C(=O)NC2(C#N)CC[NH+](C)CC2)CC1=O	ZINC000077037558	523239364	/nfs/dbraw/zinc/23/93/64/523239364.db2.gz	YXLLPSASFWOCMD-OAHLLOKOSA-N	1	0	370.453	1.542	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)CC1	ZINC000066922003	523266478	/nfs/dbraw/zinc/26/64/78/523266478.db2.gz	SIMGWKWXKQZBJD-LJQANCHMSA-N	1	0	368.481	1.420	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)CCCN1c1c(C#N)c(=O)n(C)c(=O)n1C	ZINC000077236682	523274868	/nfs/dbraw/zinc/27/48/68/523274868.db2.gz	HQZSEWGQURSRMF-HNNXBMFYSA-N	1	0	367.453	1.056	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000067280745	523378757	/nfs/dbraw/zinc/37/87/57/523378757.db2.gz	UAMKWAFZLSDBCM-QGZVFWFLSA-N	1	0	370.501	1.953	20	30		FDEDRO
C[NH+](C)CCOc1cccc(CNS(=O)(=O)c2cccc(C#N)c2)c1	ZINC000055246723	523778766	/nfs/dbraw/zinc/77/87/66/523778766.db2.gz	QMAJABFOSSJBCW-UHFFFAOYSA-N	1	0	359.451	1.977	20	30		FDEDRO
N#CCSc1cccc(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1	ZINC000079803021	523794792	/nfs/dbraw/zinc/79/47/92/523794792.db2.gz	CHDDNAZBLBIVKZ-KRWDZBQOSA-N	1	0	372.494	1.857	20	30		FDEDRO
C[C@@H]1C[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)CC[N@@H+]1Cc1ccccc1	ZINC000080230877	523853911	/nfs/dbraw/zinc/85/39/11/523853911.db2.gz	HJABIESISIXLLO-GDBMZVCRSA-N	1	0	367.453	1.421	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C1	ZINC000080794782	523907318	/nfs/dbraw/zinc/90/73/18/523907318.db2.gz	ANFHKPTXFHASOB-HNNXBMFYSA-N	1	0	369.462	1.819	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2cc(C#N)cn2C)CC1	ZINC000081018860	523931779	/nfs/dbraw/zinc/93/17/79/523931779.db2.gz	URYKVDDIJWCFQJ-UHFFFAOYSA-N	1	0	365.481	1.964	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)CC[C@H]1CCCO1	ZINC000156567065	524104128	/nfs/dbraw/zinc/10/41/28/524104128.db2.gz	OESLLPNBJGEZFK-GOSISDBHSA-N	1	0	365.499	1.821	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(CC(F)(F)C(F)F)CC2)CC1	ZINC000172075696	524109135	/nfs/dbraw/zinc/10/91/35/524109135.db2.gz	HNZVPWOXNDCAIU-UHFFFAOYSA-N	1	0	366.403	1.864	20	30		FDEDRO
O=C(C#Cc1ccccc1)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	ZINC000081724917	524173253	/nfs/dbraw/zinc/17/32/53/524173253.db2.gz	LCYPRKGFYXVHRL-UHFFFAOYSA-N	1	0	367.493	1.879	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000081748879	524177807	/nfs/dbraw/zinc/17/78/07/524177807.db2.gz	UWOGPSNFDCHEPW-UHFFFAOYSA-N	1	0	367.457	1.019	20	30		FDEDRO
CNC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000111269822	524243590	/nfs/dbraw/zinc/24/35/90/524243590.db2.gz	OLXWWBPVRIJSFS-LBPRGKRZSA-N	1	0	360.483	1.895	20	30		FDEDRO
C=CCOc1cccc(C[NH2+][C@H](C)C(=O)NC[C@H]2CCS(=O)(=O)C2)c1	ZINC000111402942	524281433	/nfs/dbraw/zinc/28/14/33/524281433.db2.gz	FFDDDMHVIYOMRJ-GDBMZVCRSA-N	1	0	366.483	1.280	20	30		FDEDRO
C[C@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1	ZINC000111631320	524314020	/nfs/dbraw/zinc/31/40/20/524314020.db2.gz	MLYVEJJCAPWBLI-MRXNPFEDSA-N	1	0	364.449	1.925	20	30		FDEDRO
C#CCN(CC)C(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1	ZINC000143170087	524364943	/nfs/dbraw/zinc/36/49/43/524364943.db2.gz	FBTYKCTYOHTCJH-UHFFFAOYSA-N	1	0	359.495	1.698	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC1CC[NH+](C(C)C)CC1	ZINC000173382157	524377323	/nfs/dbraw/zinc/37/73/23/524377323.db2.gz	FLCBJVYISUEBDA-UHFFFAOYSA-N	1	0	361.417	1.765	20	30		FDEDRO
CC(C)CC[N@@H+](CCC#N)CCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC000173544074	524413357	/nfs/dbraw/zinc/41/33/57/524413357.db2.gz	VRFWTNVGIIXMJM-UHFFFAOYSA-N	1	0	360.462	1.086	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)CC1	ZINC000173578754	524419484	/nfs/dbraw/zinc/41/94/84/524419484.db2.gz	UUEKHGLFTDSCRS-LJQANCHMSA-N	1	0	361.461	1.966	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1	ZINC000112219134	524430514	/nfs/dbraw/zinc/43/05/14/524430514.db2.gz	JIRGUJCFJCMPIE-QGZVFWFLSA-N	1	0	355.438	1.177	20	30		FDEDRO
C=CCC[C@@H](O)C[NH+]1CCN(c2ncc(Br)c(OC)n2)CC1	ZINC000150879023	524498913	/nfs/dbraw/zinc/49/89/13/524498913.db2.gz	UYPKLEVSCVMFNF-GFCCVEGCSA-N	1	0	371.279	1.697	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)NC(=O)CC2CCCCC2)c1C#N	ZINC000089663277	524517723	/nfs/dbraw/zinc/51/77/23/524517723.db2.gz	ZSFIFXBOUFTBAZ-CYBMUJFWSA-N	1	0	374.489	1.847	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)C2=Cc3cc(OC)ccc3OC2)c1C#N	ZINC000089677593	524519405	/nfs/dbraw/zinc/51/94/05/524519405.db2.gz	JQTJNPJXASBTPW-UHFFFAOYSA-N	1	0	367.409	1.856	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CCn2c3ccccc3oc2=O)c1C#N	ZINC000089675348	524519492	/nfs/dbraw/zinc/51/94/92/524519492.db2.gz	HYBRIHHEFDLVGH-UHFFFAOYSA-N	1	0	368.397	1.370	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-c3n[nH]c(C)n3)cc2)c1C#N	ZINC000089677829	524520293	/nfs/dbraw/zinc/52/02/93/524520293.db2.gz	ILIRAROUUXWOFD-UHFFFAOYSA-N	1	0	364.413	1.779	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]([NH+](CC)CC)C2)c1	ZINC000174166413	524522925	/nfs/dbraw/zinc/52/29/25/524522925.db2.gz	CWMUCDCTBORBNX-MRXNPFEDSA-N	1	0	363.483	1.154	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CN(C)CCO1)N1CCN(c2cccs2)CC1	ZINC000158895487	524547789	/nfs/dbraw/zinc/54/77/89/524547789.db2.gz	PTSPNNZJTPGNSW-OAHLLOKOSA-N	1	0	351.520	1.166	20	30		FDEDRO
CC[C@H](C)NC(=[NH2+])NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1	ZINC000122488338	524550167	/nfs/dbraw/zinc/55/01/67/524550167.db2.gz	YDFZZVXLRFZDNY-ZFWWWQNUSA-N	1	0	368.503	1.347	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1	ZINC000112921587	524597754	/nfs/dbraw/zinc/59/77/54/524597754.db2.gz	DAFDEKWOTDOSRM-UHFFFAOYSA-N	1	0	374.485	1.430	20	30		FDEDRO
N#CCN1CCC(CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1	ZINC000123015779	524662965	/nfs/dbraw/zinc/66/29/65/524662965.db2.gz	HJBBGYSUOOSBRR-UHFFFAOYSA-N	1	0	369.513	1.550	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)c1C#N	ZINC000123049008	524667858	/nfs/dbraw/zinc/66/78/58/524667858.db2.gz	QUKDDSNGJSPAMW-UHFFFAOYSA-N	1	0	354.410	1.989	20	30		FDEDRO
Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)CC2	ZINC000113439952	524686029	/nfs/dbraw/zinc/68/60/29/524686029.db2.gz	PTBGVAZFLDFSJT-CZUORRHYSA-N	1	0	370.432	1.965	20	30		FDEDRO
C[C@@H](CN1CCOCC1)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000091552485	524724587	/nfs/dbraw/zinc/72/45/87/524724587.db2.gz	WAWISUSEINXZSM-KRWDZBQOSA-N	1	0	365.481	1.949	20	30		FDEDRO
CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000123484615	524759997	/nfs/dbraw/zinc/75/99/97/524759997.db2.gz	PQLFWLTTXWKPRT-UHFFFAOYSA-N	1	0	370.906	1.470	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1C#N	ZINC000174864364	524767453	/nfs/dbraw/zinc/76/74/53/524767453.db2.gz	HSHDDDANLIRJFF-INIZCTEOSA-N	1	0	370.453	1.376	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCCCC2)N1CC[C@H](C)[C@@H](n2ccnc2)C1	ZINC000159956224	524774940	/nfs/dbraw/zinc/77/49/40/524774940.db2.gz	VAGGIGQYBBFACA-HOTGVXAUSA-N	1	0	370.505	1.860	20	30		FDEDRO
CN1CC[NH+]([C@H]2CCCCN(CC(=O)NC3(C#N)CCCCC3)C2)CC1	ZINC000174892511	524780508	/nfs/dbraw/zinc/78/05/08/524780508.db2.gz	NPAIOZPQCRDPHV-SFHVURJKSA-N	1	0	361.534	1.431	20	30		FDEDRO
C[NH+](C)CCCOC1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1	ZINC000152186799	524807634	/nfs/dbraw/zinc/80/76/34/524807634.db2.gz	YHMGNRADFVYKMD-UHFFFAOYSA-N	1	0	352.460	1.075	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1	ZINC000092800089	524917980	/nfs/dbraw/zinc/91/79/80/524917980.db2.gz	WEJLGUKAFIORQC-UHFFFAOYSA-N	1	0	370.497	1.916	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000152568789	524928892	/nfs/dbraw/zinc/92/88/92/524928892.db2.gz	RQISUVHIFUQYFT-YJBOKZPZSA-N	1	0	370.453	1.091	20	30		FDEDRO
C[NH+](C)CCCOC1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000175302602	524935908	/nfs/dbraw/zinc/93/59/08/524935908.db2.gz	AZAPUNRLGBHTDZ-UHFFFAOYSA-N	1	0	351.472	1.680	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1	ZINC000093261432	524976070	/nfs/dbraw/zinc/97/60/70/524976070.db2.gz	BRWIHGANLCFHLC-OAHLLOKOSA-N	1	0	372.469	1.613	20	30		FDEDRO
C=CCOc1ccc(CN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1OC	ZINC000093821192	525003319	/nfs/dbraw/zinc/00/33/19/525003319.db2.gz	CEARLCILSIZVEX-GOSISDBHSA-N	1	0	373.497	1.998	20	30		FDEDRO
C=CCN(Cc1cc(Br)ccc1F)C(=O)CNC(=O)C[NH3+]	ZINC000124749437	525067413	/nfs/dbraw/zinc/06/74/13/525067413.db2.gz	MAJKQCXJKRZCGE-UHFFFAOYSA-N	1	0	358.211	1.178	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1	ZINC000176348610	525087697	/nfs/dbraw/zinc/08/76/97/525087697.db2.gz	BDLVUHULEGRFEL-KRWDZBQOSA-N	1	0	358.442	1.301	20	30		FDEDRO
CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000161391941	525099095	/nfs/dbraw/zinc/09/90/95/525099095.db2.gz	GHDMGCAKFPSHDP-ZIAGYGMSSA-N	1	0	366.487	1.072	20	30		FDEDRO
CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)Cc2cccc(C#N)c2)CC1	ZINC000161682754	525151914	/nfs/dbraw/zinc/15/19/14/525151914.db2.gz	DECFDZZOGDKJLG-KRWDZBQOSA-N	1	0	351.472	1.070	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(C(N)=O)o1	ZINC000176633502	525159171	/nfs/dbraw/zinc/15/91/71/525159171.db2.gz	RYSAMXDPRPJXGQ-UHFFFAOYSA-N	1	0	369.425	1.524	20	30		FDEDRO
C=CCOc1cc(OC)ccc1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1	ZINC000125290282	525187752	/nfs/dbraw/zinc/18/77/52/525187752.db2.gz	KWUZVTANJKMQSS-INIZCTEOSA-N	1	0	361.486	1.873	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCCN(C(=O)c3cccc(F)c3)CC2)CC1	ZINC000098093211	525203663	/nfs/dbraw/zinc/20/36/63/525203663.db2.gz	RUMJBAFTFQBCJX-UHFFFAOYSA-N	1	0	371.456	1.845	20	30		FDEDRO
C[N@@H+]1CCN(C(=O)CCNC(=O)C2N=CC=CC2=O)C2(CCCCC2)C1	ZINC000176994107	525215752	/nfs/dbraw/zinc/21/57/52/525215752.db2.gz	ZGCYHOWYYCONIJ-ZCXUNETKSA-N	1	0	360.458	1.380	20	30		FDEDRO
N#CC1(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)CCCC1	ZINC000101687291	525249083	/nfs/dbraw/zinc/24/90/83/525249083.db2.gz	SZVJLGLSHZLDCZ-UHFFFAOYSA-N	1	0	360.502	1.911	20	30		FDEDRO
N#CC1(NC(=O)C[NH2+][C@H](CN2CCOCC2)c2ccccc2)CCCCC1	ZINC000102700927	525300665	/nfs/dbraw/zinc/30/06/65/525300665.db2.gz	JYQGFXWVMHDNGL-LJQANCHMSA-N	1	0	370.497	1.992	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1	ZINC000177537960	525306402	/nfs/dbraw/zinc/30/64/02/525306402.db2.gz	BOBUZWFDQBJRLE-MRXNPFEDSA-N	1	0	358.442	1.094	20	30		FDEDRO
CCc1nnc(NCCCC[NH+]2CCN(CCO)CC2)c(C#N)c1CC	ZINC000126553316	525324355	/nfs/dbraw/zinc/32/43/55/525324355.db2.gz	MEZUTHLYEHHMBI-UHFFFAOYSA-N	1	0	360.506	1.275	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CC1	ZINC000177829560	525350591	/nfs/dbraw/zinc/35/05/91/525350591.db2.gz	NXPPQTYAEIWOTA-HXUWFJFHSA-N	1	0	370.453	1.512	20	30		FDEDRO
N#CCCN(CCN1CCOCC1)Cc1cc(=O)oc2cc(O)ccc12	ZINC000178131508	525386362	/nfs/dbraw/zinc/38/63/62/525386362.db2.gz	OWNMLNBJPPPKQC-UHFFFAOYSA-N	1	0	357.410	1.546	20	30		FDEDRO
CC(C)CNC(=O)CON=C(N)c1ccccc1C[NH+]1CCC(O)CC1	ZINC000104054403	525389086	/nfs/dbraw/zinc/38/90/86/525389086.db2.gz	YARCWDGRAQFYCD-UHFFFAOYSA-N	1	0	362.474	1.052	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(NC(N)=O)CC1)C(C)C	ZINC000163503654	525417770	/nfs/dbraw/zinc/41/77/70/525417770.db2.gz	QAHWHVOYEDBMAN-MRXNPFEDSA-N	1	0	351.495	1.527	20	30		FDEDRO
[NH2+]=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)Nc1ccccn1	ZINC000178575539	525448245	/nfs/dbraw/zinc/44/82/45/525448245.db2.gz	WEEOBDCHICMFRJ-UHFFFAOYSA-N	1	0	365.381	1.370	20	30		FDEDRO
CCCN(CC[NH+](C)C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000163813531	525452338	/nfs/dbraw/zinc/45/23/38/525452338.db2.gz	BTJDGUMLVLGEPM-AWEZNQCLSA-N	1	0	366.487	1.025	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)NC1CCN(C(C)=O)CC1)C(C)C	ZINC000127796055	525465657	/nfs/dbraw/zinc/46/56/57/525465657.db2.gz	LPULNEJPHAATQR-GOSISDBHSA-N	1	0	350.507	1.995	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1	ZINC000118127606	525475946	/nfs/dbraw/zinc/47/59/46/525475946.db2.gz	XFHWPZVWGJSSGU-ZDUSSCGKSA-N	1	0	358.442	1.140	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCc2cccc(C#N)c2)CC1=O	ZINC000105316747	525495461	/nfs/dbraw/zinc/49/54/61/525495461.db2.gz	CMHKQSYBECWTTG-MSOLQXFVSA-N	1	0	354.454	1.507	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)nc3c2c(C)nn3C)c1C#N	ZINC000128155012	525509486	/nfs/dbraw/zinc/50/94/86/525509486.db2.gz	AAVFVFRUWTWDOM-UHFFFAOYSA-N	1	0	366.429	1.584	20	30		FDEDRO
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CC(=O)N(CCC#N)CCC#N)CC1	ZINC000118825262	525550907	/nfs/dbraw/zinc/55/09/07/525550907.db2.gz	LQWQSLXXPKJXNI-RTBURBONSA-N	1	0	374.533	1.133	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)CC1	ZINC000106036457	525553158	/nfs/dbraw/zinc/55/31/58/525553158.db2.gz	VTCWBSTUMMDXJJ-MRXNPFEDSA-N	1	0	356.470	1.587	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2cccc(S(=O)(=O)NCC)c2)CC1	ZINC000106040516	525553325	/nfs/dbraw/zinc/55/33/25/525553325.db2.gz	JOOFDTVZNXHHMC-UHFFFAOYSA-N	1	0	365.499	1.755	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)CC1	ZINC000106039146	525554576	/nfs/dbraw/zinc/55/45/76/525554576.db2.gz	KMOMDQHTIRWISF-UHFFFAOYSA-N	1	0	362.474	1.398	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(S(=O)(=O)NC)cc2)CC1	ZINC000118892148	525575270	/nfs/dbraw/zinc/57/52/70/525575270.db2.gz	KGFZQNQVVCYZSA-UHFFFAOYSA-N	1	0	366.487	1.757	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O	ZINC000129020064	525604416	/nfs/dbraw/zinc/60/44/16/525604416.db2.gz	FEJRWVMSPADMLG-HOTGVXAUSA-N	1	0	362.474	1.246	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)n1	ZINC000179863242	525639983	/nfs/dbraw/zinc/63/99/83/525639983.db2.gz	LLAWUAVOQSMOHX-UHFFFAOYSA-N	1	0	372.429	1.458	20	30		FDEDRO
CC(C)[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)C(=O)N1CCOCC1	ZINC000180067608	525658563	/nfs/dbraw/zinc/65/85/63/525658563.db2.gz	UEIVJENZMXEOPU-GOSISDBHSA-N	1	0	358.442	1.360	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Cc2c(C)nc3nc(N)nn3c2C)CC1	ZINC000106291202	525689210	/nfs/dbraw/zinc/68/92/10/525689210.db2.gz	NDNYOWIPSIBZCI-UHFFFAOYSA-N	1	0	357.462	1.023	20	30		FDEDRO
C#CCOc1ccc(C[NH+]2CCC(NS(=O)(=O)CCC)CC2)cc1	ZINC000129776566	525691336	/nfs/dbraw/zinc/69/13/36/525691336.db2.gz	GCVOXRXCPHEKHC-UHFFFAOYSA-N	1	0	350.484	1.992	20	30		FDEDRO
COc1ccc(C[NH+]2CCC(CNC(=O)N3CCO[C@H](C#N)C3)CC2)cc1	ZINC000106336248	525695543	/nfs/dbraw/zinc/69/55/43/525695543.db2.gz	ZTTUGOIXHUUPLM-LJQANCHMSA-N	1	0	372.469	1.841	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1	ZINC000106341266	525696912	/nfs/dbraw/zinc/69/69/12/525696912.db2.gz	OIKCLQULRGVXQY-QGZVFWFLSA-N	1	0	364.490	1.060	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C(=O)NC)c2C)CC1	ZINC000106349285	525699242	/nfs/dbraw/zinc/69/92/42/525699242.db2.gz	QRFQVTMNECYTEI-UHFFFAOYSA-N	1	0	372.469	1.450	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1	ZINC000180514608	525714862	/nfs/dbraw/zinc/71/48/62/525714862.db2.gz	PEGGOUFKJBVQIE-UHFFFAOYSA-N	1	0	374.485	1.509	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1	ZINC000180641187	525734170	/nfs/dbraw/zinc/73/41/70/525734170.db2.gz	LVIPNHDEFKFUSI-ZDUSSCGKSA-N	1	0	366.412	1.531	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1	ZINC000155084065	525737358	/nfs/dbraw/zinc/73/73/58/525737358.db2.gz	UCMAQGIDEKYQKW-MOPGFXCFSA-N	1	0	350.422	1.622	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21	ZINC000119463764	525754876	/nfs/dbraw/zinc/75/48/76/525754876.db2.gz	UUGRFYTYSABQPH-YJBOKZPZSA-N	1	0	356.470	1.739	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1cccc(Br)c1	ZINC000170910598	525765846	/nfs/dbraw/zinc/76/58/46/525765846.db2.gz	ODXWGEMMAJALPC-UHFFFAOYSA-N	1	0	355.280	1.446	20	30		FDEDRO
C[NH+]=C(NCCc1nc(C(F)(F)F)cs1)N[C@@H]1CCc2ncnn2C1	ZINC000130579566	525773821	/nfs/dbraw/zinc/77/38/21/525773821.db2.gz	DNWZHAZKJPBILF-SECBINFHSA-N	1	0	373.408	1.476	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1	ZINC000130786209	525795124	/nfs/dbraw/zinc/79/51/24/525795124.db2.gz	YQKOPXXCENOFIX-INIZCTEOSA-N	1	0	350.507	1.965	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Cn1nc(-c2ccccc2)ccc1=O	ZINC000130795935	525798161	/nfs/dbraw/zinc/79/81/61/525798161.db2.gz	UGYJQVTXMQFZQI-UHFFFAOYSA-N	1	0	367.453	1.604	20	30		FDEDRO
CC(C)C[C@H](NC(=O)Nc1ccc(F)cc1C#N)C(=O)NCC[NH+](C)C	ZINC000130958461	525812266	/nfs/dbraw/zinc/81/22/66/525812266.db2.gz	IWEQCWAYIUGYPZ-INIZCTEOSA-N	1	0	363.437	1.911	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1CCc2nc(C)nn2C1)C(C)C	ZINC000171040955	525812977	/nfs/dbraw/zinc/81/29/77/525812977.db2.gz	VIJAQQXHZNQEFD-SJORKVTESA-N	1	0	360.506	1.899	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000106895675	525818042	/nfs/dbraw/zinc/81/80/42/525818042.db2.gz	YSXHQEYPKVSILT-LBPRGKRZSA-N	1	0	356.879	1.126	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1	ZINC000181216751	525821713	/nfs/dbraw/zinc/82/17/13/525821713.db2.gz	UVYSNBHOYNKARS-CZUORRHYSA-N	1	0	350.488	1.732	20	30		FDEDRO
Cc1cc(N2CC[NH+](CCC(=O)N(C)CCC#N)CC2)nc(C(C)C)n1	ZINC000131071629	525826332	/nfs/dbraw/zinc/82/63/32/525826332.db2.gz	FVXXSMBJRXSRJT-UHFFFAOYSA-N	1	0	358.490	1.793	20	30		FDEDRO
C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000171075367	525827952	/nfs/dbraw/zinc/82/79/52/525827952.db2.gz	BBXDUYLAHKJCPC-ZIAGYGMSSA-N	1	0	350.488	1.988	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH+]1CCN(c2ncnc3ccsc32)CC1	ZINC000131693956	525891115	/nfs/dbraw/zinc/89/11/15/525891115.db2.gz	DEVYEWAKJKDFJO-UHFFFAOYSA-N	1	0	358.471	1.575	20	30		FDEDRO
C[NH+](C)C1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1	ZINC000171254530	525919438	/nfs/dbraw/zinc/91/94/38/525919438.db2.gz	JXUFIRHINGTGEE-UHFFFAOYSA-N	1	0	366.368	1.651	20	30		FDEDRO
C=CCNc1ncc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)s1	ZINC000131981757	525926813	/nfs/dbraw/zinc/92/68/13/525926813.db2.gz	XEFVVNHRZKGNKN-ZDUSSCGKSA-N	1	0	363.487	1.120	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1	ZINC000108389675	525962322	/nfs/dbraw/zinc/96/23/22/525962322.db2.gz	LOEXQIAVGWHAQE-CXAGYDPISA-N	1	0	363.433	1.971	20	30		FDEDRO
N#CCCn1ccc(NC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)n1	ZINC000181881426	525968724	/nfs/dbraw/zinc/96/87/24/525968724.db2.gz	ZIWXXTCXZBPAFL-KRWDZBQOSA-N	1	0	368.441	1.685	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1	ZINC000181899876	525973910	/nfs/dbraw/zinc/97/39/10/525973910.db2.gz	VRIHPHBJXIEFBA-KKUMJFAQSA-N	1	0	358.442	1.905	20	30		FDEDRO
C[NH+]=C(NCCc1ccc(F)cc1)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000155812084	525981186	/nfs/dbraw/zinc/98/11/86/525981186.db2.gz	BASUNGJTXHBHDV-UHFFFAOYSA-N	1	0	358.421	1.026	20	30		FDEDRO
N#Cc1ccsc1NC(=O)CC[NH2+][C@H](CC(N)=O)C1CCOCC1	ZINC000181950103	525993495	/nfs/dbraw/zinc/99/34/95/525993495.db2.gz	IWNIWDUJYAONJU-CYBMUJFWSA-N	1	0	350.444	1.209	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CCNC(=O)c2[nH]nc3ccccc32)CC1	ZINC000171566022	526039481	/nfs/dbraw/zinc/03/94/81/526039481.db2.gz	IMKJFUFYNIHUPF-UHFFFAOYSA-N	1	0	355.442	1.449	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1	ZINC000171716099	526090021	/nfs/dbraw/zinc/09/00/21/526090021.db2.gz	JCKXTBMTFAYOIJ-UHFFFAOYSA-N	1	0	350.426	1.706	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3c([nH]c2=O)CCCCC3)c1C#N	ZINC000133800480	526094532	/nfs/dbraw/zinc/09/45/32/526094532.db2.gz	HISCFWUSXMQISF-UHFFFAOYSA-N	1	0	368.441	1.643	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](CNC(=O)CCC)C2)CC1	ZINC000171738629	526103266	/nfs/dbraw/zinc/10/32/66/526103266.db2.gz	BEWFEOGOUWUCEH-INIZCTEOSA-N	1	0	350.507	1.975	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1	ZINC000171736939	526104426	/nfs/dbraw/zinc/10/44/26/526104426.db2.gz	WZBHTQXWFQWXEC-UHFFFAOYSA-N	1	0	366.487	1.709	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1	ZINC000133904900	526105462	/nfs/dbraw/zinc/10/54/62/526105462.db2.gz	VQPCDYQUHKMDMA-OAHLLOKOSA-N	1	0	372.469	1.341	20	30		FDEDRO
CC(C)(C)[C@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(N)=O	ZINC000109330535	526111057	/nfs/dbraw/zinc/11/10/57/526111057.db2.gz	UADZFVAMTQOGOO-OAHLLOKOSA-N	1	0	369.387	1.663	20	30		FDEDRO
CC(C)(C)[C@@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(N)=O	ZINC000109330537	526112392	/nfs/dbraw/zinc/11/23/92/526112392.db2.gz	UADZFVAMTQOGOO-HNNXBMFYSA-N	1	0	369.387	1.663	20	30		FDEDRO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(C(=O)C[NH+](C)C)CC1	ZINC000120580507	526115138	/nfs/dbraw/zinc/11/51/38/526115138.db2.gz	BGKOHQHLKICVNC-LJQANCHMSA-N	1	0	372.469	1.194	20	30		FDEDRO
CC(C)[C@@H](CO)[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000156422238	526131156	/nfs/dbraw/zinc/13/11/56/526131156.db2.gz	QJHJMYXWPRWGPA-HUUCEWRRSA-N	1	0	350.488	1.063	20	30		FDEDRO
Cc1nc(C(=O)N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)ccc1C#N	ZINC000171815336	526132253	/nfs/dbraw/zinc/13/22/53/526132253.db2.gz	SUGUIWAWAKIOKF-SFHVURJKSA-N	1	0	371.485	1.129	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH+]1CCC(CCC(=O)N(CC)CC)CC1	ZINC000182557068	526205775	/nfs/dbraw/zinc/20/57/75/526205775.db2.gz	QYIRRWXAQHGKKW-UHFFFAOYSA-N	1	0	352.479	1.359	20	30		FDEDRO
C[C@H](C[S@@](C)=O)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000182610065	535833534	/nfs/dbraw/zinc/83/35/34/535833534.db2.gz	JPTKQZCJLLGEPD-JBEBIEQOSA-N	1	0	350.488	1.398	20	30		FDEDRO
CN(CCCN1CC[NH+](C)CC1)C(=O)NCc1ccc(OCC#N)cc1	ZINC000182667704	535842517	/nfs/dbraw/zinc/84/25/17/535842517.db2.gz	MXYMRTWMCNHUTK-UHFFFAOYSA-N	1	0	359.474	1.368	20	30		FDEDRO
C=CC[C@@H](CO)NC(=O)NCc1ccccc1CN1CC[NH+](CC)CC1	ZINC000183041670	535908796	/nfs/dbraw/zinc/90/87/96/535908796.db2.gz	SBNQGOFSGCGNOP-IBGZPJMESA-N	1	0	360.502	1.560	20	30		FDEDRO
C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1	ZINC000183204311	535942896	/nfs/dbraw/zinc/94/28/96/535942896.db2.gz	BJBNWVSVIIUEHV-YJBOKZPZSA-N	1	0	359.470	1.910	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(n2cc(C(=O)OC)nn2)CC1	ZINC000183741205	536040368	/nfs/dbraw/zinc/04/03/68/536040368.db2.gz	PPMAVZRPKZVWDW-AWEZNQCLSA-N	1	0	363.462	1.515	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000184591501	536169150	/nfs/dbraw/zinc/16/91/50/536169150.db2.gz	DLPVNDRGSOEIRD-UHFFFAOYSA-N	1	0	357.418	1.229	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)NC[C@H](C)[NH+]1CCC(C)CC1	ZINC000185506647	536210458	/nfs/dbraw/zinc/21/04/58/536210458.db2.gz	LQNOIBATYJNNLE-AWEZNQCLSA-N	1	0	351.472	1.966	20	30		FDEDRO
N#Cc1c(NC(=O)CC[N@H+]2C[C@@H](O)C[C@H]2CO)sc2c1CCCCC2	ZINC000186519524	536236204	/nfs/dbraw/zinc/23/62/04/536236204.db2.gz	ASTMMXIRCMUWHY-STQMWFEESA-N	1	0	363.483	1.645	20	30		FDEDRO
C=CC[C@@H](CO)[NH2+][C@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000186720047	536242473	/nfs/dbraw/zinc/24/24/73/536242473.db2.gz	MJBQOAUONGIMEV-ZBFHGGJFSA-N	1	0	354.472	1.295	20	30		FDEDRO
CC(C)[C@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)[NH+]1CCN(C)CC1	ZINC000186906655	536248136	/nfs/dbraw/zinc/24/81/36/536248136.db2.gz	FAHAJMISOYSRLB-IBGZPJMESA-N	1	0	354.498	1.978	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)[NH+]1CCN(C)CC1	ZINC000186906635	536248162	/nfs/dbraw/zinc/24/81/62/536248162.db2.gz	FAHAJMISOYSRLB-LJQANCHMSA-N	1	0	354.498	1.978	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1	ZINC000187575537	536269404	/nfs/dbraw/zinc/26/94/04/536269404.db2.gz	NGKZUUWPKFKOQE-UHFFFAOYSA-N	1	0	369.465	1.972	20	30		FDEDRO
CCN(C)C(=O)[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000187991373	536279839	/nfs/dbraw/zinc/27/98/39/536279839.db2.gz	XMDWPCMSQPRWGF-OAHLLOKOSA-N	1	0	359.474	1.498	20	30		FDEDRO
C=CC[C@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)c1ccccc1	ZINC000188242778	536286958	/nfs/dbraw/zinc/28/69/58/536286958.db2.gz	JXPCPGOJQQDMHU-SFHVURJKSA-N	1	0	369.469	1.859	20	30		FDEDRO
CS(=O)(=O)c1cccnc1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21	ZINC000262810880	536907539	/nfs/dbraw/zinc/90/75/39/536907539.db2.gz	UIUULBFMKGLSFZ-CYBMUJFWSA-N	1	0	360.439	1.413	20	30		FDEDRO
C[NH+]=C(NCc1ccnn1C)NCc1nnc2ccc(C(F)(F)F)cn21	ZINC000262822057	536910501	/nfs/dbraw/zinc/91/05/01/536910501.db2.gz	PWDRJINDTCFUTL-UHFFFAOYSA-N	1	0	366.351	1.347	20	30		FDEDRO
C[NH+]=C(NCCN1C(=O)CNC1=O)NCc1ccc(Cl)cc1Cl	ZINC000262886136	536929640	/nfs/dbraw/zinc/92/96/40/536929640.db2.gz	MPMNGJREEMATLU-UHFFFAOYSA-N	1	0	358.229	1.210	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)CN2CCC[C@H]2C(=O)Nc2nccs2)cc1	ZINC000246340465	536931160	/nfs/dbraw/zinc/93/11/60/536931160.db2.gz	HRNDAKZHMQHFEB-HOCLYGCPSA-N	1	0	372.450	1.858	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CCSC1	ZINC000267271526	536967449	/nfs/dbraw/zinc/96/74/49/536967449.db2.gz	FFOJKDXZHZPVHD-INIZCTEOSA-N	1	0	366.874	1.704	20	30		FDEDRO
CCOc1ccc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)cc1F	ZINC000267391231	536974440	/nfs/dbraw/zinc/97/44/40/536974440.db2.gz	CXNIKIDQFQDNSW-UHFFFAOYSA-N	1	0	358.421	1.651	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCN([C@H]3CCN(c4sccc4C#N)C3=O)CC2)CCO1	ZINC000246639588	536994713	/nfs/dbraw/zinc/99/47/13/536994713.db2.gz	ZZQOAAHXYDAYDE-PBHICJAKSA-N	1	0	374.510	1.910	20	30		FDEDRO
CC[NH+]=C(NCCc1ccc2ccccc2n1)N1CCN(C(C)=O)CC1	ZINC000263252771	537001488	/nfs/dbraw/zinc/00/14/88/537001488.db2.gz	PMFJYOGWGFOSOQ-UHFFFAOYSA-N	1	0	353.470	1.907	20	30		FDEDRO
C[NH+]=C(NCCNc1ccc2ccccc2n1)N1CCN(C(C)=O)CC1	ZINC000263252653	537001710	/nfs/dbraw/zinc/00/17/10/537001710.db2.gz	PKMWGHVXPBFSFV-UHFFFAOYSA-N	1	0	354.458	1.386	20	30		FDEDRO
CC[NH+]=C(NCCc1ccc(S(N)(=O)=O)cc1)N1CCc2ccccc21	ZINC000263260749	537003816	/nfs/dbraw/zinc/00/38/16/537003816.db2.gz	SONHJPYUQANOSD-UHFFFAOYSA-N	1	0	372.494	1.905	20	30		FDEDRO
C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)CCSC1	ZINC000268026310	537007375	/nfs/dbraw/zinc/00/73/75/537007375.db2.gz	CNVHUMBWRDNUHC-MRXNPFEDSA-N	1	0	366.874	1.704	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCN1Cc1ccccc1	ZINC000246843671	537037095	/nfs/dbraw/zinc/03/70/95/537037095.db2.gz	YXHJPGDOEUGOGW-UYAOXDASSA-N	1	0	367.497	1.890	20	30		FDEDRO
C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000247383647	537115083	/nfs/dbraw/zinc/11/50/83/537115083.db2.gz	PYPUJTYGVQUGBV-CVEARBPZSA-N	1	0	371.489	1.443	20	30		FDEDRO
N#Cc1ccc(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)cc1O	ZINC000189924092	537116699	/nfs/dbraw/zinc/11/66/99/537116699.db2.gz	PQASJOCEHHXPSI-UHFFFAOYSA-N	1	0	364.449	1.811	20	30		FDEDRO
N#Cc1nccnc1N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000263902722	537129667	/nfs/dbraw/zinc/12/96/67/537129667.db2.gz	QJIIIPROVMSCNB-QGZVFWFLSA-N	1	0	363.469	1.782	20	30		FDEDRO
CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CCO[C@@H](C#N)C3)c2C1	ZINC000247573897	537136410	/nfs/dbraw/zinc/13/64/10/537136410.db2.gz	HNPFKOBKBUPMCY-ZBFHGGJFSA-N	1	0	370.453	1.736	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NC[C@@H](c1cccc(Cl)c1)N1CCOCC1	ZINC000264296040	537140982	/nfs/dbraw/zinc/14/09/82/537140982.db2.gz	QSUJBIRDIFFBMA-BBRMVZONSA-N	1	0	354.882	1.653	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1	ZINC000264648665	537146473	/nfs/dbraw/zinc/14/64/73/537146473.db2.gz	FJFVECHWZVGYOP-QGZVFWFLSA-N	1	0	372.469	1.550	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@H+](C)CCN2CCOCC2)c(OC)c1	ZINC000264848993	537148392	/nfs/dbraw/zinc/14/83/92/537148392.db2.gz	KWSJIHIAVKSDGI-SFHVURJKSA-N	1	0	364.486	1.427	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(OCC(N)=O)cc1)C(C)C	ZINC000264880887	537149180	/nfs/dbraw/zinc/14/91/80/537149180.db2.gz	IDGDYHJFUTXEPL-SFHVURJKSA-N	1	0	359.470	1.979	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(OC)c(N3CCOC3=O)c2)CC1	ZINC000266304312	537197006	/nfs/dbraw/zinc/19/70/06/537197006.db2.gz	BFIQKXNHWXRGCD-UHFFFAOYSA-N	1	0	357.410	1.936	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000248693396	537206657	/nfs/dbraw/zinc/20/66/57/537206657.db2.gz	BBSKQARYPGNTQH-SJORKVTESA-N	1	0	355.442	1.053	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1	ZINC000192143920	537221110	/nfs/dbraw/zinc/22/11/10/537221110.db2.gz	JWCCCHYQIUEJOL-NZVBXONLSA-N	1	0	353.369	1.785	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)CC1	ZINC000248985256	537223933	/nfs/dbraw/zinc/22/39/33/537223933.db2.gz	GHAXBRCRLHGUPB-DYXWJJEUSA-N	1	0	370.497	1.799	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NCC(=O)N[C@](C)(C#N)C2CC2)[C@H](C)C1	ZINC000249419210	537235362	/nfs/dbraw/zinc/23/53/62/537235362.db2.gz	HGIGHLQTVVBQKK-HHXXYDBFSA-N	1	0	350.507	1.521	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1	ZINC000193037683	537238609	/nfs/dbraw/zinc/23/86/09/537238609.db2.gz	WKANMZCBEPKRSF-UHFFFAOYSA-N	1	0	357.458	1.820	20	30		FDEDRO
C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC[N@@H+]1C	ZINC000193432164	537247524	/nfs/dbraw/zinc/24/75/24/537247524.db2.gz	CPVOIKFHDDGWDX-UKRRQHHQSA-N	1	0	359.474	1.994	20	30		FDEDRO
N#CCOc1ccc(CC(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)cc1	ZINC000363638903	537267104	/nfs/dbraw/zinc/26/71/04/537267104.db2.gz	UXFDJNZRLOHJCM-PKOBYXMFSA-N	1	0	357.454	1.749	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCOc3ccccc32)CC1	ZINC000285772057	537267292	/nfs/dbraw/zinc/26/72/92/537267292.db2.gz	CDOOHQUQQXPVMH-MRXNPFEDSA-N	1	0	371.481	1.826	20	30		FDEDRO
Cn1cc(C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)c(-c2ccc(C#N)cc2)n1	ZINC000272334943	537267707	/nfs/dbraw/zinc/26/77/07/537267707.db2.gz	XEROFCJPEOYMNS-HNNXBMFYSA-N	1	0	373.482	1.459	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000282229177	537274038	/nfs/dbraw/zinc/27/40/38/537274038.db2.gz	BVQHFHOISWRLHX-BFYDXBDKSA-N	1	0	350.488	1.575	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)c1	ZINC000298714667	537283177	/nfs/dbraw/zinc/28/31/77/537283177.db2.gz	HIYGWFUJDGKEFJ-IRXDYDNUSA-N	1	0	354.458	1.412	20	30		FDEDRO
CCO[C@@H]1C[C@@H](O)C12CC[NH+]([C@H](C)C(=O)NC1(C#N)CCCCC1)CC2	ZINC000332845153	537289760	/nfs/dbraw/zinc/28/97/60/537289760.db2.gz	GETWSIURHFAEDM-BRWVUGGUSA-N	1	0	363.502	1.969	20	30		FDEDRO
CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)c1ccco1	ZINC000293017101	537293083	/nfs/dbraw/zinc/29/30/83/537293083.db2.gz	HREYWKADTSPJAZ-CQSZACIVSA-N	1	0	355.398	1.684	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000282870539	537341698	/nfs/dbraw/zinc/34/16/98/537341698.db2.gz	OZZSKJOBRJHDSA-OAHLLOKOSA-N	1	0	363.487	1.258	20	30		FDEDRO
O=C(C#Cc1ccc2c(c1)OCO2)N1CCC(CC[NH+]2CCOCC2)CC1	ZINC000363871652	537348580	/nfs/dbraw/zinc/34/85/80/537348580.db2.gz	GFOPBIFPHNHOGC-UHFFFAOYSA-N	1	0	370.449	1.728	20	30		FDEDRO
CC(=O)N[C@@H]1CCCN(C(=O)CN(Cc2ccc(C#N)cc2)C2CC2)C1	ZINC000194958773	537356312	/nfs/dbraw/zinc/35/63/12/537356312.db2.gz	AAAAUHOTTSQVCR-GOSISDBHSA-N	1	0	354.454	1.650	20	30		FDEDRO
CCC[NH+]1CCC(N2CCN(c3nccc(C#N)c3[N+](=O)[O-])CC2)CC1	ZINC000363891393	537357427	/nfs/dbraw/zinc/35/74/27/537357427.db2.gz	SWNKUUPRQSTYGE-UHFFFAOYSA-N	1	0	358.446	1.858	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2coc(-c3cccs3)n2)CC1	ZINC000283293158	537367118	/nfs/dbraw/zinc/36/71/18/537367118.db2.gz	ACYGGPABKFIQCR-UHFFFAOYSA-N	1	0	374.466	1.786	20	30		FDEDRO
C#CCN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC	ZINC000283382125	537373321	/nfs/dbraw/zinc/37/33/21/537373321.db2.gz	FVDIXOJVHPTARY-UHFFFAOYSA-N	1	0	352.486	1.732	20	30		FDEDRO
Cn1nnc2c1C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)CC2	ZINC000290683038	537388860	/nfs/dbraw/zinc/38/88/60/537388860.db2.gz	IESRYPRJCVPIAP-QGZVFWFLSA-N	1	0	366.469	1.382	20	30		FDEDRO
C=CCC[N@@H+](C)CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1	ZINC000276355132	537446432	/nfs/dbraw/zinc/44/64/32/537446432.db2.gz	DXUMYYUAVLRENS-SFHVURJKSA-N	1	0	373.453	1.005	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1	ZINC000299147138	537456918	/nfs/dbraw/zinc/45/69/18/537456918.db2.gz	KRAXYSSOZYLNMK-OAHLLOKOSA-N	1	0	362.495	1.955	20	30		FDEDRO
CS[C@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)C[C@@H]1[NH+]1CCCC1	ZINC000273525379	537457468	/nfs/dbraw/zinc/45/74/68/537457468.db2.gz	QFAHDQWOXHNPLD-YJBOKZPZSA-N	1	0	358.463	1.805	20	30		FDEDRO
C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)C2)C1	ZINC000293521033	537498623	/nfs/dbraw/zinc/49/86/23/537498623.db2.gz	YPBAFGYUAKBOLJ-LJQANCHMSA-N	1	0	372.473	1.393	20	30		FDEDRO
N#Cc1c(F)ccc(C[NH2+]C[C@H]2CCn3ncc(C(N)=O)c3C2)c1Cl	ZINC000365425367	537514145	/nfs/dbraw/zinc/51/41/45/537514145.db2.gz	DSQYRHSCYRLFEA-JTQLQIEISA-N	1	0	361.808	1.998	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1	ZINC000274597048	537528572	/nfs/dbraw/zinc/52/85/72/537528572.db2.gz	QJOQMVWPFHNONT-QGZVFWFLSA-N	1	0	358.486	1.524	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NC[C@@H](CC[NH+](C)C)OCC	ZINC000274715821	537529702	/nfs/dbraw/zinc/52/97/02/537529702.db2.gz	AASJGDICLLYXCR-OAHLLOKOSA-N	1	0	361.442	1.110	20	30		FDEDRO
N#CCCn1cc(C[NH2+]C[C@H]2CC(C(N)=O)=NO2)c(-c2ccccc2)n1	ZINC000276483643	537540887	/nfs/dbraw/zinc/54/08/87/537540887.db2.gz	STVLZXKDOJHWJP-OAHLLOKOSA-N	1	0	352.398	1.184	20	30		FDEDRO
C#CCNC(=O)CC[N@@H+](CCC)CC(=O)Nc1ccc(F)c(F)c1F	ZINC000293656423	537552270	/nfs/dbraw/zinc/55/22/70/537552270.db2.gz	YILBZNSBIXSDOZ-UHFFFAOYSA-N	1	0	355.360	1.894	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000363016931	537602385	/nfs/dbraw/zinc/60/23/85/537602385.db2.gz	ISJLXYGWDOOSDK-BZUAXINKSA-N	1	0	364.490	1.095	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)Cc3c[nH]c4ncccc34)CC2)C1=O	ZINC000329177599	537635487	/nfs/dbraw/zinc/63/54/87/537635487.db2.gz	MWWUZQFXNXEBSB-INIZCTEOSA-N	1	0	355.442	1.757	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)CN3CCCCCCC3=O)CC2)C1=O	ZINC000329178711	537635710	/nfs/dbraw/zinc/63/57/10/537635710.db2.gz	NEPJAWJDCWRLSK-INIZCTEOSA-N	1	0	364.490	1.431	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[NH2+]C2)ccc1F	ZINC000237733246	537639160	/nfs/dbraw/zinc/63/91/60/537639160.db2.gz	ANRWVDSDYOQRJK-LBPRGKRZSA-N	1	0	355.435	1.019	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])ccc1F	ZINC000238042547	537642697	/nfs/dbraw/zinc/64/26/97/537642697.db2.gz	VTUWXZALNYHKJR-GXTWGEPZSA-N	1	0	355.435	1.147	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(C[NH3+])CC2)ccc1F	ZINC000238034568	537642715	/nfs/dbraw/zinc/64/27/15/537642715.db2.gz	LGQBNSNJVNJVFX-UHFFFAOYSA-N	1	0	355.435	1.101	20	30		FDEDRO
CO[C@H]1C[C@H](C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)N(S(C)(=O)=O)C1	ZINC000329866374	537643892	/nfs/dbraw/zinc/64/38/92/537643892.db2.gz	BACAAARGKORGRZ-QLFBSQMISA-N	1	0	361.508	1.112	20	30		FDEDRO
O=C(NC[C@@H]1C[C@H](F)CN1Cc1cccs1)NC[C@H]1COCCO1	ZINC000329923440	537646931	/nfs/dbraw/zinc/64/69/31/537646931.db2.gz	UKAFHMJAVRKALS-IHRRRGAJSA-N	1	0	357.451	1.580	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@@H](CC(C)C)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O	ZINC000294050724	537646916	/nfs/dbraw/zinc/64/69/16/537646916.db2.gz	UEPPZEBCSFCMBB-FGTMMUONSA-N	1	0	373.497	1.424	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@H](CC(C)C)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O	ZINC000294050728	537646949	/nfs/dbraw/zinc/64/69/49/537646949.db2.gz	UEPPZEBCSFCMBB-KSZLIROESA-N	1	0	373.497	1.424	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCOC[C@@H](C3CCC3)C2)CC1	ZINC000330222961	537651969	/nfs/dbraw/zinc/65/19/69/537651969.db2.gz	AAORGUHPGQSLQP-RBUKOAKNSA-N	1	0	362.518	1.427	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1	ZINC000294112198	537660230	/nfs/dbraw/zinc/66/02/30/537660230.db2.gz	MYLLLBGZWPRYTN-UHFFFAOYSA-N	1	0	356.348	1.813	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)C[C@@H]2CCCC[C@H]2O)CC1	ZINC000245536966	537660589	/nfs/dbraw/zinc/66/05/89/537660589.db2.gz	GEJATDBMAKVLBV-OKZBNKHCSA-N	1	0	350.507	1.162	20	30		FDEDRO
CN(C)c1ncc(Br)cc1C(=O)NC[C@H]1C[N@H+](C)CCN1C	ZINC000330746404	537660585	/nfs/dbraw/zinc/66/05/85/537660585.db2.gz	FTJDOQAJKSSHEB-LBPRGKRZSA-N	1	0	370.295	1.461	20	30		FDEDRO
C[N@H+](C[C@@H](O)CN1CCN(c2c(C#N)cnc3ccccc32)CC1)C1CC1	ZINC000290120784	537674624	/nfs/dbraw/zinc/67/46/24/537674624.db2.gz	YPHJUYJDUSJUID-GOSISDBHSA-N	1	0	365.481	1.684	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](CO)c1ccc(Br)cc1	ZINC000292049704	537702242	/nfs/dbraw/zinc/70/22/42/537702242.db2.gz	BDLWPJIGJPSMMH-ZWNOBZJWSA-N	1	0	370.247	1.472	20	30		FDEDRO
C[N@@H+]1CCN(CCNS(=O)(=O)c2ccc(C#N)c(F)c2)CC1(C)C	ZINC000292350585	537729221	/nfs/dbraw/zinc/72/92/21/537729221.db2.gz	PTGFQMRLKUGRMN-UHFFFAOYSA-N	1	0	354.451	1.002	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1	ZINC000285653196	537742110	/nfs/dbraw/zinc/74/21/10/537742110.db2.gz	LUZXJKDCWUFXJD-IBGZPJMESA-N	1	0	363.465	1.919	20	30		FDEDRO
C[C@@H]1C[C@H](NS(=O)(=O)c2cccnc2C#N)CN1Cc1ccccc1	ZINC000398090028	537792505	/nfs/dbraw/zinc/79/25/05/537792505.db2.gz	NVYOWFHBLKYPSY-ZBFHGGJFSA-N	1	0	356.451	1.895	20	30		FDEDRO
N#CC1(C(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)CCOCC1	ZINC000404205152	537806007	/nfs/dbraw/zinc/80/60/07/537806007.db2.gz	TVQSNYIVVYITSZ-RTBURBONSA-N	1	0	369.465	1.809	20	30		FDEDRO
C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCCSCc1ccccc1C#N	ZINC000418911113	537838788	/nfs/dbraw/zinc/83/87/88/537838788.db2.gz	BRCXZMLOGMGOAO-CJNGLKHVSA-N	1	0	360.483	1.022	20	30		FDEDRO
N#Cc1cccc(-n2ccc(C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)n2)c1	ZINC000376129820	537842123	/nfs/dbraw/zinc/84/21/23/537842123.db2.gz	GVGNPWTWOYQJQE-IRXDYDNUSA-N	1	0	351.410	1.337	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1	ZINC000418934270	537855857	/nfs/dbraw/zinc/85/58/57/537855857.db2.gz	JICMPVYKZWWUQD-GVDBMIGSSA-N	1	0	357.454	1.453	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C	ZINC000409552871	537860749	/nfs/dbraw/zinc/86/07/49/537860749.db2.gz	LLCLMKXTCFPGOW-PBHICJAKSA-N	1	0	368.503	1.614	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)CC1	ZINC000410195832	537881471	/nfs/dbraw/zinc/88/14/71/537881471.db2.gz	NAYODHSIZHIBTI-GOEBONIOSA-N	1	0	372.535	1.044	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1	ZINC000414888004	537932358	/nfs/dbraw/zinc/93/23/58/537932358.db2.gz	DTKMIAZFRQTZOV-BBRMVZONSA-N	1	0	366.487	1.694	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1	ZINC000367135739	537949104	/nfs/dbraw/zinc/94/91/04/537949104.db2.gz	PAZDENUSDAWROB-FUHWJXTLSA-N	1	0	364.515	1.824	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)N=c2ccn(C3CC[NH+](C)CC3)[nH]2)c1	ZINC000560455999	545507337	/nfs/dbraw/zinc/50/73/37/545507337.db2.gz	MFXLVGUGWABNBJ-UHFFFAOYSA-N	1	0	352.442	2.340	20	30		FDEDRO
C[C@H](CNC(=O)[C@@]1(C#N)CCc2ccccc2C1)C[NH+]1CCN(C)CC1	ZINC000367569775	537961027	/nfs/dbraw/zinc/96/10/27/537961027.db2.gz	KVUQXDGWRSGTAE-UTKZUKDTSA-N	1	0	354.498	1.685	20	30		FDEDRO
C[C@@H](CNC(=O)[C@]1(C#N)CCc2ccccc2C1)C[NH+]1CCN(C)CC1	ZINC000367569774	537961664	/nfs/dbraw/zinc/96/16/64/537961664.db2.gz	KVUQXDGWRSGTAE-LAUBAEHRSA-N	1	0	354.498	1.685	20	30		FDEDRO
CCN1CCC[C@@H](C[N@H+](C)CCC(=O)N(C)CCC#N)[C@@H]1c1cnn(C)c1	ZINC000372540366	537975258	/nfs/dbraw/zinc/97/52/58/537975258.db2.gz	WJXBBTDSZZOROY-FXAWDEMLSA-N	1	0	374.533	1.887	20	30		FDEDRO
C[C@@H]1CCCN(C(=O)C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1	ZINC000368914436	537993338	/nfs/dbraw/zinc/99/33/38/537993338.db2.gz	OYOTWWGWVUBRPM-QGZVFWFLSA-N	1	0	368.481	1.919	20	30		FDEDRO
C[C@@H](CO)[N@@H+]1CCCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1	ZINC000368974212	537995526	/nfs/dbraw/zinc/99/55/26/537995526.db2.gz	NYNOWJDWHGLMLG-NRGCRIOASA-N	1	0	364.534	1.694	20	30		FDEDRO
CC(C)[NH+]1CCN([C@H]2CCN(CC(=O)Nc3ccc(C#N)cc3)C2)CC1	ZINC000377833368	538033184	/nfs/dbraw/zinc/03/31/84/538033184.db2.gz	YTSXCBNBTRLPRS-IBGZPJMESA-N	1	0	355.486	1.597	20	30		FDEDRO
C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000415418930	538036724	/nfs/dbraw/zinc/03/67/24/538036724.db2.gz	SZIFDNRTTRSBNE-OAHLLOKOSA-N	1	0	350.422	1.392	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1=O	ZINC000369755142	538059740	/nfs/dbraw/zinc/05/97/40/538059740.db2.gz	OGBBRNUNHVKEQP-NEWSRXKRSA-N	1	0	370.497	1.935	20	30		FDEDRO
CC(C)([NH3+])CNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000415464461	538063304	/nfs/dbraw/zinc/06/33/04/538063304.db2.gz	MQPCWAJWNYHLKT-UHFFFAOYSA-N	1	0	358.320	1.291	20	30		FDEDRO
C[C@@H]1CCCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)[C@H]1C[NH3+]	ZINC000415465308	538065030	/nfs/dbraw/zinc/06/50/30/538065030.db2.gz	SHUQVNSDNZNADL-WBMJQRKESA-N	1	0	356.405	2.474	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)C1=O	ZINC000411493828	538072947	/nfs/dbraw/zinc/07/29/47/538072947.db2.gz	RYPNNCXVUQMODQ-KRWDZBQOSA-N	1	0	372.469	1.240	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1	ZINC000419878351	538128079	/nfs/dbraw/zinc/12/80/79/538128079.db2.gz	GFNHCFCSKIDWSI-MAUKXSAKSA-N	1	0	354.454	1.577	20	30		FDEDRO
N#Cc1cccc(OC2CCN(C(=O)C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CC2)c1	ZINC000419903502	538139013	/nfs/dbraw/zinc/13/90/13/538139013.db2.gz	WVNVTOBOJJSPNE-JKSUJKDBSA-N	1	0	370.453	1.314	20	30		FDEDRO
C=CCNC(=O)CNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2	ZINC000444350468	538151129	/nfs/dbraw/zinc/15/11/29/538151129.db2.gz	HHFYUEMYJIAZOB-UHFFFAOYSA-N	1	0	368.481	1.826	20	30		FDEDRO
CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1	ZINC000419946024	538159206	/nfs/dbraw/zinc/15/92/06/538159206.db2.gz	AKKFNWUXKKFAOD-SFHVURJKSA-N	1	0	354.454	1.664	20	30		FDEDRO
C[C@@H](C(=O)N1CCOCC1)N1CC[NH+](CCCCC(C)(C)C#N)CC1	ZINC000444601932	538184545	/nfs/dbraw/zinc/18/45/45/538184545.db2.gz	GGVHWECTKCBIAZ-KRWDZBQOSA-N	1	0	350.507	1.571	20	30		FDEDRO
C=CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C	ZINC000420073799	538202576	/nfs/dbraw/zinc/20/25/76/538202576.db2.gz	YVRXABOITGYDNE-XJKSGUPXSA-N	1	0	363.433	1.570	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccc(C#N)cc1F	ZINC000427719490	538229393	/nfs/dbraw/zinc/22/93/93/538229393.db2.gz	LDFHOIKIUUDWET-ZDUSSCGKSA-N	1	0	374.416	1.348	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)cc1	ZINC000424072075	538230535	/nfs/dbraw/zinc/23/05/35/538230535.db2.gz	WTOJOCUPAPUBTA-OAHLLOKOSA-N	1	0	369.429	1.762	20	30		FDEDRO
COC[C@]1(C(=O)OC)CC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1	ZINC000451328991	538231284	/nfs/dbraw/zinc/23/12/84/538231284.db2.gz	MHGAZPGTSDWSIB-KRWDZBQOSA-N	1	0	351.447	1.183	20	30		FDEDRO
COc1cc2c(cc1OC)CN(CCNC(=O)[C@@H]([NH3+])CCCC#N)CC2	ZINC000424151105	538247199	/nfs/dbraw/zinc/24/71/99/538247199.db2.gz	HAJOIGXLIIHTFH-INIZCTEOSA-N	1	0	360.458	1.199	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O	ZINC000424173252	538248486	/nfs/dbraw/zinc/24/84/86/538248486.db2.gz	OEDKDHZHXGZFFE-ZIAGYGMSSA-N	1	0	352.797	1.722	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1CCN(Cc2noc(-c3cccs3)n2)CC1	ZINC000424180831	538251140	/nfs/dbraw/zinc/25/11/40/538251140.db2.gz	PRACDOOCTHTDNJ-CYBMUJFWSA-N	1	0	374.470	1.463	20	30		FDEDRO
CO[C@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1(C)C	ZINC000451574246	538279725	/nfs/dbraw/zinc/27/97/25/538279725.db2.gz	YWTBSANAMHAPBO-IRXDYDNUSA-N	1	0	350.507	1.426	20	30		FDEDRO
COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1cccc(C#N)c1	ZINC000451589745	538282176	/nfs/dbraw/zinc/28/21/76/538282176.db2.gz	WBPZDQIOFHBMHR-CVEARBPZSA-N	1	0	350.440	1.653	20	30		FDEDRO
C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cccc(C#N)c3Br)[C@H]2C1	ZINC000451591559	538282206	/nfs/dbraw/zinc/28/22/06/538282206.db2.gz	APAPLBVCOOYNDH-UONOGXRCSA-N	1	0	364.243	1.866	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1	ZINC000422493721	538285589	/nfs/dbraw/zinc/28/55/89/538285589.db2.gz	YZQLYLCSIBRAGT-QGZVFWFLSA-N	1	0	368.481	1.921	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1	ZINC000424416337	538293830	/nfs/dbraw/zinc/29/38/30/538293830.db2.gz	LJXXFTZKXFBGSG-NILFDRSVSA-N	1	0	350.444	1.764	20	30		FDEDRO
C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1cccc(Br)c1C#N	ZINC000420428796	538294643	/nfs/dbraw/zinc/29/46/43/538294643.db2.gz	LMQNUKPSGZGRMH-SKDRFNHKSA-N	1	0	358.261	1.597	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)NCCC[NH2+]C1CC1	ZINC000420444711	538296079	/nfs/dbraw/zinc/29/60/79/538296079.db2.gz	CYRJBLJSJXGEFE-UHFFFAOYSA-N	1	0	358.261	1.741	20	30		FDEDRO
N#C[C@H]1CCC[C@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1	ZINC000446805978	538321120	/nfs/dbraw/zinc/32/11/20/538321120.db2.gz	JNHMGDNCGZXNNP-KBPBESRZSA-N	1	0	369.512	1.941	20	30		FDEDRO
N#Cc1cccc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)c1	ZINC000441338900	538324249	/nfs/dbraw/zinc/32/42/49/538324249.db2.gz	XVBTZKORFCDEGD-UHFFFAOYSA-N	1	0	351.378	1.905	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1	ZINC000447259552	538363677	/nfs/dbraw/zinc/36/36/77/538363677.db2.gz	YHKWHWXTGLMEMV-DRZSPHRISA-N	1	0	350.400	1.214	20	30		FDEDRO
COCC(C)(C)[NH+]1CCN(C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)CC1	ZINC000424998088	538366808	/nfs/dbraw/zinc/36/68/08/538366808.db2.gz	HLLCDTVWQKDDES-UHFFFAOYSA-N	1	0	374.485	1.778	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C[C@H]1C[NH3+]	ZINC000423526561	538399473	/nfs/dbraw/zinc/39/94/73/538399473.db2.gz	LOUZXJMUBNKJKR-OQIJWPOYSA-N	1	0	368.481	1.728	20	30		FDEDRO
CC(C)(C)Oc1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1C#N	ZINC000453724312	538420625	/nfs/dbraw/zinc/42/06/25/538420625.db2.gz	PEJYYADKKWDANA-MRXNPFEDSA-N	1	0	370.453	1.981	20	30		FDEDRO
COC(=O)Cn1cc(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)nn1	ZINC000449153978	538420757	/nfs/dbraw/zinc/42/07/57/538420757.db2.gz	GTCPPVCGWZYYRW-UHFFFAOYSA-N	1	0	369.425	1.803	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1	ZINC000438196539	538421099	/nfs/dbraw/zinc/42/10/99/538421099.db2.gz	GXQJQDPWAMRSET-SQNIBIBYSA-N	1	0	352.523	1.539	20	30		FDEDRO
C[NH+]1CCN(c2cc(C(=O)NCc3ccc(C#N)c(F)c3)ccn2)CC1	ZINC000456834293	538456996	/nfs/dbraw/zinc/45/69/96/538456996.db2.gz	JHUJQQCEPHHGLP-UHFFFAOYSA-N	1	0	353.401	1.774	20	30		FDEDRO
N#Cc1ccc([C@H](Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)C(N)=O)cc1	ZINC000461090465	538502465	/nfs/dbraw/zinc/50/24/65/538502465.db2.gz	SXRLYSRSTMDSOK-OALUTQOASA-N	1	0	350.422	1.763	20	30		FDEDRO
N#C[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1	ZINC000461773484	538563324	/nfs/dbraw/zinc/56/33/24/538563324.db2.gz	PAGBCRBTMFBYDM-GOEBONIOSA-N	1	0	372.494	1.982	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)NCc2ccc(C#N)c(F)c2)CC1	ZINC000454618924	538571312	/nfs/dbraw/zinc/57/13/12/538571312.db2.gz	LXRZZYKPJHIBGT-HNNXBMFYSA-N	1	0	361.465	1.770	20	30		FDEDRO
C=C(CC)CNC(=O)N1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1	ZINC000455532095	538671091	/nfs/dbraw/zinc/67/10/91/538671091.db2.gz	IXYSQNRCHUJEBF-SFHVURJKSA-N	1	0	350.507	1.928	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(CC(=O)NCc2cccc(C#N)c2)CC1	ZINC000483221271	538691292	/nfs/dbraw/zinc/69/12/92/538691292.db2.gz	YOJMWENVQASDKD-UHFFFAOYSA-N	1	0	365.437	1.400	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1	ZINC000488179951	538721342	/nfs/dbraw/zinc/72/13/42/538721342.db2.gz	QKFFOBYKRUSBKU-DLBZAZTESA-N	1	0	350.507	1.086	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[N@@H+](C2CCOCC2)C[C@H]1C	ZINC000488681078	538761280	/nfs/dbraw/zinc/76/12/80/538761280.db2.gz	ZOXJZDDGHUFTLW-MDZRGWNJSA-N	1	0	350.507	1.614	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1C#N	ZINC000473310852	538769078	/nfs/dbraw/zinc/76/90/78/538769078.db2.gz	OPSDWXREANFWRT-MRXNPFEDSA-N	1	0	354.454	1.996	20	30		FDEDRO
CNC(=O)CCCCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000473357595	538774038	/nfs/dbraw/zinc/77/40/38/538774038.db2.gz	BHZOCAIJVGYOTD-UHFFFAOYSA-N	1	0	356.470	1.899	20	30		FDEDRO
Cc1ncc(S(=O)(=O)NCc2ccc(OCC[NH+](C)C)cc2)cc1C#N	ZINC000489135159	538791858	/nfs/dbraw/zinc/79/18/58/538791858.db2.gz	VWKYYQFIOOETFI-UHFFFAOYSA-N	1	0	374.466	1.681	20	30		FDEDRO
C=CCN(C(=O)[C@@H]([NH3+])CC(F)F)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000498216162	538814392	/nfs/dbraw/zinc/81/43/92/538814392.db2.gz	NBANLPPBUHTFDP-FZMZJTMJSA-N	1	0	350.373	1.720	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2	ZINC000480092778	538846510	/nfs/dbraw/zinc/84/65/10/538846510.db2.gz	DEBINSOGQNWOIM-HXUWFJFHSA-N	1	0	370.453	1.840	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNS(=O)(=O)Cc2ccc(C#N)cc2F)CC1	ZINC000480692930	538863230	/nfs/dbraw/zinc/86/32/30/538863230.db2.gz	HDCUREJEXLEXSH-CQSZACIVSA-N	1	0	368.478	1.143	20	30		FDEDRO
CCN(C(=O)C(=O)NCCCCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000561350633	545813846	/nfs/dbraw/zinc/81/38/46/545813846.db2.gz	AGILYHMHLGWFMG-GOSISDBHSA-N	1	0	356.470	1.919	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1	ZINC000561671911	545923647	/nfs/dbraw/zinc/92/36/47/545923647.db2.gz	HMXJYHJIOMTVIH-UHFFFAOYSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1	ZINC000561814654	545958707	/nfs/dbraw/zinc/95/87/07/545958707.db2.gz	HJFCQCJQPRKMPM-INIZCTEOSA-N	1	0	353.507	1.664	20	30		FDEDRO
C[NH+]1CCC(n2ccc(=NC(=O)N(CCC#N)Cc3ccccn3)[nH]2)CC1	ZINC000562626385	546200456	/nfs/dbraw/zinc/20/04/56/546200456.db2.gz	LNUVKROYZSRRCP-UHFFFAOYSA-N	1	0	367.457	2.493	20	30		FDEDRO
N#Cc1ccc(CNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1F	ZINC000562638839	546206047	/nfs/dbraw/zinc/20/60/47/546206047.db2.gz	RNAMDMLALDDTRS-HXUWFJFHSA-N	1	0	353.397	1.951	20	30		FDEDRO
Cc1nc(CN2CCC(C[NH2+]C[C@H](O)CN(C)CCC#N)CC2)oc1C	ZINC000562999411	546348710	/nfs/dbraw/zinc/34/87/10/546348710.db2.gz	MYNCPICCRFACOL-SFHVURJKSA-N	1	0	363.506	1.299	20	30		FDEDRO
CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)[C@H]1n1cccn1	ZINC000563000037	546349680	/nfs/dbraw/zinc/34/96/80/546349680.db2.gz	HKJOOPOMMDTONM-QXCFHYIPSA-N	1	0	356.426	1.503	20	30		FDEDRO
N#CCCC1CC[NH+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)CC1	ZINC000563066541	546382131	/nfs/dbraw/zinc/38/21/31/546382131.db2.gz	TXDJMUKNAUOEIX-UHFFFAOYSA-N	1	0	360.502	1.863	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)s1	ZINC000563445607	546539079	/nfs/dbraw/zinc/53/90/79/546539079.db2.gz	HYJCHSXHJJJBQX-UKRRQHHQSA-N	1	0	355.485	1.527	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C	ZINC000563979983	546763543	/nfs/dbraw/zinc/76/35/43/546763543.db2.gz	KDAPHZZGGZUHMK-IAGOWNOFSA-N	1	0	353.507	1.709	20	30		FDEDRO
C[NH+](C)CCOc1cnccc1CNC(=O)NCC#Cc1ccccc1	ZINC000564073678	546797330	/nfs/dbraw/zinc/79/73/30/546797330.db2.gz	ONGCIDKZWGOELX-UHFFFAOYSA-N	1	0	352.438	1.873	20	30		FDEDRO
CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC(=O)Nc3oc(C)c(C)c3C#N)[C@@H]2C1	ZINC000564153173	546823859	/nfs/dbraw/zinc/82/38/59/546823859.db2.gz	UQOJINUDGTUGTB-UAGQMJEPSA-N	1	0	358.442	1.943	20	30		FDEDRO
COC[C@@]1(CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)CCC[NH2+]1	ZINC000564305279	546873381	/nfs/dbraw/zinc/87/33/81/546873381.db2.gz	PHYZHDVDNMTJIF-KRWDZBQOSA-N	1	0	355.402	1.029	20	30		FDEDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC#Cc2cccc(C(F)(F)F)c2)c1	ZINC000564846620	547064684	/nfs/dbraw/zinc/06/46/84/547064684.db2.gz	QMPRFECMSIZVQN-OAHLLOKOSA-N	1	0	368.315	1.812	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)Nc2cccc(C#N)n2)CC1	ZINC000564942480	547117250	/nfs/dbraw/zinc/11/72/50/547117250.db2.gz	KGSRFJIMXGJZLT-UHFFFAOYSA-N	1	0	351.414	1.422	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)n1	ZINC000564945273	547120106	/nfs/dbraw/zinc/12/01/06/547120106.db2.gz	GJPVTRCZJWDZNL-MRXNPFEDSA-N	1	0	365.393	1.097	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1	ZINC000565230356	547264511	/nfs/dbraw/zinc/26/45/11/547264511.db2.gz	YCHZBGTUGWBVEC-ROUUACIJSA-N	1	0	365.518	1.733	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)NCC3=CC[NH2+]CC3)C2=O)cc1	ZINC000565528751	547386012	/nfs/dbraw/zinc/38/60/12/547386012.db2.gz	APKCYDHGWBJHKB-KRWDZBQOSA-N	1	0	353.426	1.273	20	30		FDEDRO
CCc1nnc(N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c(C#N)c1CC	ZINC000565814877	547491854	/nfs/dbraw/zinc/49/18/54/547491854.db2.gz	OPEYJTCJOUNFDM-AWEZNQCLSA-N	1	0	356.474	1.264	20	30		FDEDRO
Cc1cccc(NC(=O)CN2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)c1C	ZINC000565830687	547498451	/nfs/dbraw/zinc/49/84/51/547498451.db2.gz	SSVWMOLYPFGHFU-KRWDZBQOSA-N	1	0	371.485	1.407	20	30		FDEDRO
Cc1cc(N2CCC[C@@H]([NH2+]C[C@@H](O)COc3ccc(C#N)cc3)C2)n(C)n1	ZINC000566125666	547615581	/nfs/dbraw/zinc/61/55/81/547615581.db2.gz	UCLDYYCGRKPTND-QZTJIDSGSA-N	1	0	369.469	1.599	20	30		FDEDRO
Cc1cc(N2CCC[C@H]([NH2+]C[C@@H](O)COc3ccc(C#N)cc3)C2)n(C)n1	ZINC000566125668	547616005	/nfs/dbraw/zinc/61/60/05/547616005.db2.gz	UCLDYYCGRKPTND-ZWKOTPCHSA-N	1	0	369.469	1.599	20	30		FDEDRO
N#Cc1ccc(OCC(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1	ZINC000566408205	547744295	/nfs/dbraw/zinc/74/42/95/547744295.db2.gz	UPCKVKLFRIBVOR-FUHWJXTLSA-N	1	0	370.453	1.044	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]C2CCN(Cc3ccccn3)CC2)cc1	ZINC000566633184	547835453	/nfs/dbraw/zinc/83/54/53/547835453.db2.gz	ZOSASVJJHXILTJ-HXUWFJFHSA-N	1	0	366.465	1.947	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1	ZINC000566673465	547846915	/nfs/dbraw/zinc/84/69/15/547846915.db2.gz	NJPURPFPXQKTLS-DOTOQJQBSA-N	1	0	368.499	1.026	20	30		FDEDRO
COc1ccc([C@@H](CO)C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cc1	ZINC000566738614	547869877	/nfs/dbraw/zinc/86/98/77/547869877.db2.gz	YQMDAPMXNUUBOP-QGZVFWFLSA-N	1	0	374.462	1.706	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCC(=O)NCC2([NH3+])CCCCCC2)cc1	ZINC000566797919	547889187	/nfs/dbraw/zinc/88/91/87/547889187.db2.gz	QQYUYUALSQQVQB-UHFFFAOYSA-N	1	0	364.471	1.004	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](O)COc2ccc(F)cc2)cc1	ZINC000566933842	547936383	/nfs/dbraw/zinc/93/63/83/547936383.db2.gz	VMOGRFREUUWAOU-DLBZAZTESA-N	1	0	360.385	1.467	20	30		FDEDRO
CC1(C#N)CCC([NH2+]Cc2ccc(C(=O)N3CCNC(=O)C3)cc2)CC1	ZINC000567213862	548034427	/nfs/dbraw/zinc/03/44/27/548034427.db2.gz	CGADKMKKZLGEHJ-UHFFFAOYSA-N	1	0	354.454	1.821	20	30		FDEDRO
CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000567353035	548089158	/nfs/dbraw/zinc/08/91/58/548089158.db2.gz	YCENOTOWANAIMH-GOEBONIOSA-N	1	0	354.472	1.080	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1	ZINC000567501660	548143410	/nfs/dbraw/zinc/14/34/10/548143410.db2.gz	ASKGQYGFJFMTIX-OLZOCXBDSA-N	1	0	354.476	1.740	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1	ZINC000567713107	548224870	/nfs/dbraw/zinc/22/48/70/548224870.db2.gz	HMRDYWGKVYGSIG-UHFFFAOYSA-N	1	0	356.470	1.897	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1	ZINC000567872857	548302000	/nfs/dbraw/zinc/30/20/00/548302000.db2.gz	IJWJIHJKHDAVKU-YZGWKJHDSA-N	1	0	374.481	1.792	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1	ZINC000568414108	548529409	/nfs/dbraw/zinc/52/94/09/548529409.db2.gz	AWEBBPQLWMCGNT-CRAIPNDOSA-N	1	0	366.506	1.257	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@H+](Cc1ccccc1)C[C@@]1(O)CCO[C@@H]1C	ZINC000568526445	548574327	/nfs/dbraw/zinc/57/43/27/548574327.db2.gz	PHDADHRUNYOMMD-BEFAXECRSA-N	1	0	361.442	1.040	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCC(C)(C)C[NH+]1CCCC1	ZINC000568706706	548644185	/nfs/dbraw/zinc/64/41/85/548644185.db2.gz	HSLPIOUMNAHHRK-UHFFFAOYSA-N	1	0	361.494	1.560	20	30		FDEDRO
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)n1	ZINC000569331094	548876363	/nfs/dbraw/zinc/87/63/63/548876363.db2.gz	YYEFDTXGVWKLNY-OCCSQVGLSA-N	1	0	370.844	2.471	20	30		FDEDRO
C[C@@H]1COCCN1C1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1	ZINC000569623455	548986972	/nfs/dbraw/zinc/98/69/72/548986972.db2.gz	RFRCJCCCTRVSSP-OAHLLOKOSA-N	1	0	363.483	1.573	20	30		FDEDRO
COCCOC[C@@H](O)C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000570676222	549369688	/nfs/dbraw/zinc/36/96/88/549369688.db2.gz	LICMBMLHSYRGSY-HOTGVXAUSA-N	1	0	351.422	1.280	20	30		FDEDRO
COCCOC[C@@H](O)C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000570676221	549369870	/nfs/dbraw/zinc/36/98/70/549369870.db2.gz	LICMBMLHSYRGSY-CVEARBPZSA-N	1	0	351.422	1.280	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCCN1S(C)(=O)=O	ZINC000570836976	549430851	/nfs/dbraw/zinc/43/08/51/549430851.db2.gz	NCCBLNPCLHMISG-SJORKVTESA-N	1	0	368.499	1.168	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@@](C)(OC)C2(C)C)CC1	ZINC000570953288	549473289	/nfs/dbraw/zinc/47/32/89/549473289.db2.gz	YQWPWMAIOBVCNS-HNAYVOBHSA-N	1	0	351.491	1.463	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)Cc1ccc(CC#N)cc1	ZINC000571078147	549518800	/nfs/dbraw/zinc/51/88/00/549518800.db2.gz	HMBUMOWILGEESE-UHFFFAOYSA-N	1	0	366.531	1.398	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1	ZINC000571526382	549678252	/nfs/dbraw/zinc/67/82/52/549678252.db2.gz	FDQUDCSCVZVMMD-WDSOQIARSA-N	1	0	354.454	1.509	20	30		FDEDRO
C[NH2+]CCCC(=O)N1CCC(NC(=O)NCC2CCC(C#N)CC2)CC1	ZINC000571582839	549697750	/nfs/dbraw/zinc/69/77/50/549697750.db2.gz	HINJYJPZYHWXEY-UHFFFAOYSA-N	1	0	363.506	1.606	20	30		FDEDRO
CO[C@H]1CCN(C(=O)CSc2nc(C)c(C)c(C)c2C#N)[C@H](C[NH3+])C1	ZINC000571651559	549722705	/nfs/dbraw/zinc/72/27/05/549722705.db2.gz	GBEFCASCPRCRRS-GJZGRUSLSA-N	1	0	362.499	1.935	20	30		FDEDRO
N#CCC[C@H](NC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1	ZINC000571659639	549726161	/nfs/dbraw/zinc/72/61/61/549726161.db2.gz	OMDXKIFAZKBDEZ-PXNSSMCTSA-N	1	0	354.454	1.750	20	30		FDEDRO
C=CCNC(=O)CN1CCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1	ZINC000572123228	549847236	/nfs/dbraw/zinc/84/72/36/549847236.db2.gz	FRPZETHSALYXGJ-GOSISDBHSA-N	1	0	364.534	1.511	20	30		FDEDRO
C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000572377186	549901026	/nfs/dbraw/zinc/90/10/26/549901026.db2.gz	PNDVLQPTASSTJA-KRWDZBQOSA-N	1	0	370.453	1.017	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1	ZINC000573134858	550072706	/nfs/dbraw/zinc/07/27/06/550072706.db2.gz	VYBXVZOEAWTVHF-OAHLLOKOSA-N	1	0	362.499	1.550	20	30		FDEDRO
C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000573230401	550092983	/nfs/dbraw/zinc/09/29/83/550092983.db2.gz	JQIWWWARKFBZJS-RDTXWAMCSA-N	1	0	365.499	1.894	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)n1	ZINC000573341375	550116272	/nfs/dbraw/zinc/11/62/72/550116272.db2.gz	YWCXYGWAVXQNAF-LJQANCHMSA-N	1	0	368.416	2.490	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)cc1	ZINC000573357536	550119870	/nfs/dbraw/zinc/11/98/70/550119870.db2.gz	DCLWLYOFPHUTNY-SJLPKXTDSA-N	1	0	351.406	1.693	20	30		FDEDRO
CCn1nncc1Cn1c2c(cc(C#N)c1=O)C[N@@H+](Cc1ccccc1)CC2	ZINC000573506239	550153373	/nfs/dbraw/zinc/15/33/73/550153373.db2.gz	KNQIUTBVQAJPSV-UHFFFAOYSA-N	1	0	374.448	1.938	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N=c1ccn(C2CC[NH+](C)CC2)[nH]1	ZINC000573927272	550233555	/nfs/dbraw/zinc/23/35/55/550233555.db2.gz	MXCREZQHDQORGT-UHFFFAOYSA-N	1	0	366.425	1.907	20	30		FDEDRO
CN1CCCC(C)(C)[C@@H]1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000573957469	550237622	/nfs/dbraw/zinc/23/76/22/550237622.db2.gz	XLVYDLHHPUIWJH-HNNXBMFYSA-N	1	0	350.488	1.437	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)[C@H]2CC[NH2+]C2)cc1	ZINC000574020557	550247069	/nfs/dbraw/zinc/24/70/69/550247069.db2.gz	IHFNYTGZSFPDFV-AWEZNQCLSA-N	1	0	352.460	1.319	20	30		FDEDRO
CC1(C)C(=O)N[C@@H]1C1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000574234690	550280446	/nfs/dbraw/zinc/28/04/46/550280446.db2.gz	QVEWCAWFTWLHQM-SJLPKXTDSA-N	1	0	357.454	1.535	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNS(=O)(=O)CCC(C)(C)C#N)ccn2)CC1	ZINC000574677530	550352855	/nfs/dbraw/zinc/35/28/55/550352855.db2.gz	GYVMFXYQGOKHDT-UHFFFAOYSA-N	1	0	365.503	1.193	20	30		FDEDRO
CCC[C@H](C)C(=O)NCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000574686337	550354005	/nfs/dbraw/zinc/35/40/05/550354005.db2.gz	QIFWMWQNRFYZKE-AWEZNQCLSA-N	1	0	351.472	1.474	20	30		FDEDRO
C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000574691962	550355419	/nfs/dbraw/zinc/35/54/19/550355419.db2.gz	YPYVPDLIUBTEHG-UWVGGRQHSA-N	1	0	372.347	1.680	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)NCC3CC[NH2+]CC3)C2=O)cc1	ZINC000574741840	550362860	/nfs/dbraw/zinc/36/28/60/550362860.db2.gz	CHXBKJRCSAWKRX-QGZVFWFLSA-N	1	0	355.442	1.352	20	30		FDEDRO
N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@]23CCNC3=O)sc2c1CCC2	ZINC000574999853	550406734	/nfs/dbraw/zinc/40/67/34/550406734.db2.gz	NOQAPBAJFCCEBR-GOSISDBHSA-N	1	0	358.467	1.792	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)cc1	ZINC000575378033	550459377	/nfs/dbraw/zinc/45/93/77/550459377.db2.gz	YRIKNLQYSZLRJK-UKRRQHHQSA-N	1	0	371.359	1.245	20	30		FDEDRO
C=CCCCNC(=O)C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000575494912	550464765	/nfs/dbraw/zinc/46/47/65/550464765.db2.gz	CQGYHZSNSXFVJZ-CALCHBBNSA-N	1	0	365.518	1.807	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1	ZINC000575972859	550496854	/nfs/dbraw/zinc/49/68/54/550496854.db2.gz	AMYJXGDHYVTPSC-OALUTQOASA-N	1	0	372.469	1.865	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1	ZINC000576288088	550532251	/nfs/dbraw/zinc/53/22/51/550532251.db2.gz	ABEFOOIIPIISRV-JXFKEZNVSA-N	1	0	373.453	1.691	20	30		FDEDRO
Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH2+]CCn1cnc(C#N)n1	ZINC000576340343	550537350	/nfs/dbraw/zinc/53/73/50/550537350.db2.gz	RIFDQTNDPHIUTB-INIZCTEOSA-N	1	0	357.458	1.785	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C)C[C@H]2CC)cc1	ZINC000576542572	550560694	/nfs/dbraw/zinc/56/06/94/550560694.db2.gz	PMQHNSHSBZFBIN-OAHLLOKOSA-N	1	0	351.472	1.317	20	30		FDEDRO
C[C@H]1[C@@H](NC(=O)C(=O)Nc2cccc(C#N)n2)CC[N@@H+]1Cc1ccccc1	ZINC000576582073	550564823	/nfs/dbraw/zinc/56/48/23/550564823.db2.gz	XENAJYGZCZTSKE-YOEHRIQHSA-N	1	0	363.421	1.671	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)cn1	ZINC000576684526	550575062	/nfs/dbraw/zinc/57/50/62/550575062.db2.gz	BSPAGNMUMYAIQH-MRXNPFEDSA-N	1	0	364.471	1.219	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1	ZINC000576730443	550580220	/nfs/dbraw/zinc/58/02/20/550580220.db2.gz	RWGMMSHHCVJBSZ-IXDOHACOSA-N	1	0	354.458	1.173	20	30		FDEDRO
CC(C)Oc1ccc([C@@H](CNC(=O)[C@@H](C)n2cnc(C#N)n2)[NH+](C)C)cc1	ZINC000577547462	550668356	/nfs/dbraw/zinc/66/83/56/550668356.db2.gz	NOGKHAYBWTVKOF-RHSMWYFYSA-N	1	0	370.457	1.917	20	30		FDEDRO
N#CC1CCC(CNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1	ZINC000577712784	550686050	/nfs/dbraw/zinc/68/60/50/550686050.db2.gz	KATZMDJHSMRGLB-JCYILVPMSA-N	1	0	361.490	1.170	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2nc(C)cs2)CC1	ZINC000577783406	550694794	/nfs/dbraw/zinc/69/47/94/550694794.db2.gz	PYELXJXKGPAWEJ-CYBMUJFWSA-N	1	0	350.488	1.785	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](c3cccnc3)C2)CC1	ZINC000577848449	550701399	/nfs/dbraw/zinc/70/13/99/550701399.db2.gz	YQVUKCQQUWIGQC-QGZVFWFLSA-N	1	0	356.470	1.554	20	30		FDEDRO
CO[C@@H](CC[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C(F)(F)F	ZINC000578619605	550783104	/nfs/dbraw/zinc/78/31/04/550783104.db2.gz	YBMQKTVZAYTYFO-ZDUSSCGKSA-N	1	0	350.362	1.889	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC(CC)(CO)CC2)CC1	ZINC000579153729	550842116	/nfs/dbraw/zinc/84/21/16/550842116.db2.gz	RVHHCZSVEOCFJT-UHFFFAOYSA-N	1	0	351.491	1.154	20	30		FDEDRO
CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](C)C#N)c1	ZINC000580591194	550998537	/nfs/dbraw/zinc/99/85/37/550998537.db2.gz	OJDJAWHOYKNOIV-ZDUSSCGKSA-N	1	0	359.430	1.181	20	30		FDEDRO
N#CCCC1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1	ZINC000581368618	551081317	/nfs/dbraw/zinc/08/13/17/551081317.db2.gz	SNHKSQICCCGXNY-AEFFLSMTSA-N	1	0	361.490	1.359	20	30		FDEDRO
CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000581939486	551152542	/nfs/dbraw/zinc/15/25/42/551152542.db2.gz	FHDURKQYJOGVRV-NVXWUHKLSA-N	1	0	363.483	1.615	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000582748030	551262504	/nfs/dbraw/zinc/26/25/04/551262504.db2.gz	VCSRKXLNIZVHKL-SFHVURJKSA-N	1	0	373.497	1.818	20	30		FDEDRO
CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000582878326	551276367	/nfs/dbraw/zinc/27/63/67/551276367.db2.gz	QHQSAWHVWQTGQU-GJZGRUSLSA-N	1	0	359.478	1.297	20	30		FDEDRO
CSC1(CNS(=O)(=O)c2ccc(C#N)c(C)c2)CC[NH+](C)CC1	ZINC000582994046	551289350	/nfs/dbraw/zinc/28/93/50/551289350.db2.gz	HXJXUGMPQDTFEO-UHFFFAOYSA-N	1	0	353.513	1.972	20	30		FDEDRO
CN(CC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1	ZINC000583524579	551365211	/nfs/dbraw/zinc/36/52/11/551365211.db2.gz	USIWLEAJXZXMOI-UHFFFAOYSA-N	1	0	358.467	1.449	20	30		FDEDRO
C[C@@H]1C[N@@H+](C[C@H]2CCCN2Cc2cnc3c(C#N)cnn3c2)C[C@H](C)O1	ZINC000583631589	551379561	/nfs/dbraw/zinc/37/95/61/551379561.db2.gz	KTGVKISQOCGPAL-RVKKMQEKSA-N	1	0	354.458	1.675	20	30		FDEDRO
CN(C[C@H]1CCC[N@@H+]1C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000584106993	551447839	/nfs/dbraw/zinc/44/78/39/551447839.db2.gz	AOTYATLTCKENEV-MSOLQXFVSA-N	1	0	369.469	1.789	20	30		FDEDRO
COc1cc(CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)ccc1C#N	ZINC000584443920	551497638	/nfs/dbraw/zinc/49/76/38/551497638.db2.gz	MUNDPZDSNWTEEM-MRXNPFEDSA-N	1	0	358.442	1.431	20	30		FDEDRO
Cc1nc(NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CC[N@@H+]2C3)ccc1C#N	ZINC000584755916	551541922	/nfs/dbraw/zinc/54/19/22/551541922.db2.gz	FJTACPFOOQLCDP-OALUTQOASA-N	1	0	361.449	2.273	20	30		FDEDRO
CC[C@@H](CNC(=O)C(=O)N1CCC(C#N)CC1)[N@@H+]1CCc2ccccc2C1	ZINC000585716408	551586767	/nfs/dbraw/zinc/58/67/67/551586767.db2.gz	XZPHMOGRZSBGQP-IBGZPJMESA-N	1	0	368.481	1.702	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)cc1	ZINC000585716892	551586901	/nfs/dbraw/zinc/58/69/01/551586901.db2.gz	AWOPFJHWNSACRB-OALUTQOASA-N	1	0	359.470	1.485	20	30		FDEDRO
C[C@]1(O)CCOC[C@H]1[C@@H]1CCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1	ZINC000585800893	551606818	/nfs/dbraw/zinc/60/68/18/551606818.db2.gz	RWCNTFSLPVBXQU-BJLQDIEVSA-N	1	0	357.454	1.426	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1	ZINC000586812521	551621181	/nfs/dbraw/zinc/62/11/81/551621181.db2.gz	BPCBXYNRJAGXLT-KRWDZBQOSA-N	1	0	361.511	1.755	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)C1	ZINC000586831614	551623759	/nfs/dbraw/zinc/62/37/59/551623759.db2.gz	VACKRSIZQDUGNU-WBVHZDCISA-N	1	0	356.470	1.972	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1)c1cccc(C#N)c1	ZINC000587718437	551634609	/nfs/dbraw/zinc/63/46/09/551634609.db2.gz	OGWGYNRSUYMTOM-HNNXBMFYSA-N	1	0	354.454	1.822	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C)C1	ZINC000587715702	551634715	/nfs/dbraw/zinc/63/47/15/551634715.db2.gz	FZNFZYGVGPEAOO-OAGGEKHMSA-N	1	0	356.470	1.972	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)c1cccc(C#N)c1	ZINC000587719486	551634856	/nfs/dbraw/zinc/63/48/56/551634856.db2.gz	RJEAHECRMBYBCJ-MAUKXSAKSA-N	1	0	372.469	1.305	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1	ZINC000588056481	551644267	/nfs/dbraw/zinc/64/42/67/551644267.db2.gz	FXMCVDYAPMNOSC-LJQANCHMSA-N	1	0	368.481	1.897	20	30		FDEDRO
C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000589930551	551752671	/nfs/dbraw/zinc/75/26/71/551752671.db2.gz	ZYQXOCVZNOLYQO-FZMZJTMJSA-N	1	0	359.373	1.902	20	30		FDEDRO
C[C@@H](NC(=O)NCC(=O)NCC[NH+]1CCCCCC1)c1cccc(C#N)c1	ZINC000590071315	551759065	/nfs/dbraw/zinc/75/90/65/551759065.db2.gz	CCOVUPHXOVXGOW-MRXNPFEDSA-N	1	0	371.485	1.911	20	30		FDEDRO
CC(C)[N@H+](C)C[C@@H](O)CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000590603951	551797938	/nfs/dbraw/zinc/79/79/38/551797938.db2.gz	TZUSTSCQHFOCJJ-OAHLLOKOSA-N	1	0	373.457	1.629	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)cc1	ZINC000590762709	551814074	/nfs/dbraw/zinc/81/40/74/551814074.db2.gz	COVUDIKNRQFXDG-FMKPAKJESA-N	1	0	358.360	1.737	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(C(=O)COc3ccc(C#N)c(Br)c3)[C@H]2C1	ZINC000590765370	551814745	/nfs/dbraw/zinc/81/47/45/551814745.db2.gz	SGRNNIALKSXZQU-DOMZBBRYSA-N	1	0	364.243	1.862	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)cc1	ZINC000591054577	551839444	/nfs/dbraw/zinc/83/94/44/551839444.db2.gz	NBTQLMNWNAIEFX-MOPGFXCFSA-N	1	0	371.481	1.969	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1	ZINC000591073870	551841572	/nfs/dbraw/zinc/84/15/72/551841572.db2.gz	NZLBRSYPUJADER-ROUUACIJSA-N	1	0	364.559	1.896	20	30		FDEDRO
C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2)c1cccc(C#N)c1	ZINC000591278360	551855498	/nfs/dbraw/zinc/85/54/98/551855498.db2.gz	ZXNYSVAMTYNHCD-ZDUSSCGKSA-N	1	0	364.405	1.856	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1	ZINC000591282549	551855977	/nfs/dbraw/zinc/85/59/77/551855977.db2.gz	BUYVBRYYXIUNNM-DLBZAZTESA-N	1	0	369.469	1.979	20	30		FDEDRO
N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H]3CCC[NH2+]C3)cn2)cc1	ZINC000591290422	551856897	/nfs/dbraw/zinc/85/68/97/551856897.db2.gz	LBKRMAVIANAKHX-AWEZNQCLSA-N	1	0	365.393	1.552	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1C(F)(F)F	ZINC000591304640	551859465	/nfs/dbraw/zinc/85/94/65/551859465.db2.gz	LRXAEXDNVFUNHX-YGRLFVJLSA-N	1	0	366.343	1.726	20	30		FDEDRO
N#CCCSc1ccccc1NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1	ZINC000591305085	551859620	/nfs/dbraw/zinc/85/96/20/551859620.db2.gz	UFDGFVXTPXHLFG-UKRRQHHQSA-N	1	0	358.467	1.841	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1	ZINC000591308274	551860092	/nfs/dbraw/zinc/86/00/92/551860092.db2.gz	FVSYISCVJBFRQQ-CVEARBPZSA-N	1	0	370.453	1.744	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc1C#N	ZINC000591308340	551860114	/nfs/dbraw/zinc/86/01/14/551860114.db2.gz	RDZZSCRRBHUCQE-HOTGVXAUSA-N	1	0	355.442	1.438	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCC[N@@H+](C)C2CCCC2)cc1	ZINC000591320050	551861223	/nfs/dbraw/zinc/86/12/23/551861223.db2.gz	UMRSSDNUNUWFFH-UHFFFAOYSA-N	1	0	365.499	1.755	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000591350517	551864904	/nfs/dbraw/zinc/86/49/04/551864904.db2.gz	HCJLSYAHJHOEHY-YOEHRIQHSA-N	1	0	356.474	1.833	20	30		FDEDRO
CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000591350552	551864955	/nfs/dbraw/zinc/86/49/55/551864955.db2.gz	NHNOWCSWCNHNQC-KRWDZBQOSA-N	1	0	358.490	1.937	20	30		FDEDRO
N#Cc1ccccc1OC1CCC(NC(=O)NC[C@H]2C[NH2+]CCO2)CC1	ZINC000591351963	551864967	/nfs/dbraw/zinc/86/49/67/551864967.db2.gz	HUKZUTUJZBRNJG-OFLPRAFFSA-N	1	0	358.442	1.536	20	30		FDEDRO
C[C@@H](NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(C#N)c1	ZINC000591353722	551865191	/nfs/dbraw/zinc/86/51/91/551865191.db2.gz	LMYCPCWQOQGAQJ-DOMZBBRYSA-N	1	0	369.391	1.755	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@H]3CCCC[NH2+]3)C2=O)cc1	ZINC000591356560	551865705	/nfs/dbraw/zinc/86/57/05/551865705.db2.gz	ULTBJSNWKQVBSA-WBVHZDCISA-N	1	0	355.442	1.495	20	30		FDEDRO
CC[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC[C@@H]1[NH3+]	ZINC000591357148	551865762	/nfs/dbraw/zinc/86/57/62/551865762.db2.gz	VYTOIUCNWWSMBW-FGTMMUONSA-N	1	0	369.469	1.428	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCC2([NH3+])CCCCC2)CC1	ZINC000591358908	551865993	/nfs/dbraw/zinc/86/59/93/551865993.db2.gz	PZLUBCORBGLYBN-UHFFFAOYSA-N	1	0	372.473	1.917	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC1	ZINC000591362237	551866358	/nfs/dbraw/zinc/86/63/58/551866358.db2.gz	LMXSASMIXIYGPP-OAHLLOKOSA-N	1	0	372.473	1.787	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1cccc(C#N)c1	ZINC000591404250	551868237	/nfs/dbraw/zinc/86/82/37/551868237.db2.gz	JHOVCPHKBULMCX-KSSFIOAISA-N	1	0	354.454	1.726	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NCCC[NH2+]Cc1cccnc1)c1cccc(C#N)c1	ZINC000591404592	551868339	/nfs/dbraw/zinc/86/83/39/551868339.db2.gz	UCEONUPDKOVWDW-HNNXBMFYSA-N	1	0	365.437	1.427	20	30		FDEDRO
CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCC1(C#N)CCC1	ZINC000591412296	551868953	/nfs/dbraw/zinc/86/89/53/551868953.db2.gz	OXMADIRHUXPAFQ-HXUWFJFHSA-N	1	0	356.470	1.959	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1	ZINC000591576908	551881112	/nfs/dbraw/zinc/88/11/12/551881112.db2.gz	MOJRDVJOTAEHCG-MSOLQXFVSA-N	1	0	352.438	1.283	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]CCc1cc(Br)ccc1F	ZINC000591728560	551904087	/nfs/dbraw/zinc/90/40/87/551904087.db2.gz	UKEMAPYOMBJOES-CQSZACIVSA-N	1	0	358.255	1.927	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCN(c3ccccn3)C2)cc1	ZINC000591757005	551906468	/nfs/dbraw/zinc/90/64/68/551906468.db2.gz	NVTWQIRLCYKJQI-ROUUACIJSA-N	1	0	352.438	1.756	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCc3cc(C#N)ccc32)nc1	ZINC000591764267	551906878	/nfs/dbraw/zinc/90/68/78/551906878.db2.gz	BLPIQSZLNJXFRN-KRWDZBQOSA-N	1	0	352.419	1.876	20	30		FDEDRO
CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CC[C@](O)(CC#N)C1	ZINC000591911628	551915932	/nfs/dbraw/zinc/91/59/32/551915932.db2.gz	RVYLFBBLXCEWBL-HXUWFJFHSA-N	1	0	374.485	1.967	20	30		FDEDRO
COc1cc(OC)cc([C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c2nccn2C)c1	ZINC000591967307	551921387	/nfs/dbraw/zinc/92/13/87/551921387.db2.gz	KURXZDQJKFDFTJ-IRXDYDNUSA-N	1	0	371.441	1.664	20	30		FDEDRO
CO[C@H](CS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C(C)C	ZINC000592018741	551927527	/nfs/dbraw/zinc/92/75/27/551927527.db2.gz	XIUHJROIWHPSKI-GOSISDBHSA-N	1	0	367.515	1.923	20	30		FDEDRO
Cc1ncc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1C#N	ZINC000592091173	551939481	/nfs/dbraw/zinc/93/94/81/551939481.db2.gz	YKMJRPYWTYTDQW-MJGOQNOKSA-N	1	0	370.478	1.885	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1c(F)cc(C#N)cc1F)CCO2	ZINC000592102808	551942048	/nfs/dbraw/zinc/94/20/48/551942048.db2.gz	AFNDRDWEKBRTLK-UHFFFAOYSA-N	1	0	371.409	1.322	20	30		FDEDRO
N#CC1(NC(=O)C[N@@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)CCCCC1	ZINC000592154381	551951088	/nfs/dbraw/zinc/95/10/88/551951088.db2.gz	QMICUFDDGQHFHT-GOSISDBHSA-N	1	0	368.481	1.967	20	30		FDEDRO
C[C@@](C#N)(NC(=O)C[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2)C1)C1CC1	ZINC000592155332	551951362	/nfs/dbraw/zinc/95/13/62/551951362.db2.gz	NRHQCIPDXVPSHS-UZLBHIALSA-N	1	0	354.454	1.433	20	30		FDEDRO
C[C@@](C#N)(NC(=O)C[N@@H+]1CC[C@H](C(=O)NCc2ccccc2)C1)C1CC1	ZINC000592155320	551951408	/nfs/dbraw/zinc/95/14/08/551951408.db2.gz	NRHQCIPDXVPSHS-JXFKEZNVSA-N	1	0	354.454	1.433	20	30		FDEDRO
C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2)C1)C1CC1	ZINC000592155331	551951471	/nfs/dbraw/zinc/95/14/71/551951471.db2.gz	NRHQCIPDXVPSHS-OXQOHEQNSA-N	1	0	354.454	1.433	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(C(=O)N3CCCC3)CC2)CC1	ZINC000592302535	551975583	/nfs/dbraw/zinc/97/55/83/551975583.db2.gz	WKGSYODWZCAGHL-UHFFFAOYSA-N	1	0	363.506	1.570	20	30		FDEDRO
CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)c1	ZINC000592304413	551976147	/nfs/dbraw/zinc/97/61/47/551976147.db2.gz	LJLBEGSSVBZCAJ-LJQANCHMSA-N	1	0	358.442	1.344	20	30		FDEDRO
C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	ZINC000592428455	551994154	/nfs/dbraw/zinc/99/41/54/551994154.db2.gz	PCUSETWUKJRYQP-OLZOCXBDSA-N	1	0	367.409	1.926	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(Cc2cnc3c(C#N)cnn3c2)CC1	ZINC000592512050	552003780	/nfs/dbraw/zinc/00/37/80/552003780.db2.gz	YGIPNRMDIDCWHW-UHFFFAOYSA-N	1	0	372.473	1.160	20	30		FDEDRO
C[NH+](C)CCN1CCN(Cc2cc(C#N)ccc2Br)CC1=O	ZINC000593052183	552056247	/nfs/dbraw/zinc/05/62/47/552056247.db2.gz	OMCMIAOTDFOLSV-UHFFFAOYSA-N	1	0	365.275	1.527	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@]4(CC4(F)F)C3)CC2)o1	ZINC000593118764	552064476	/nfs/dbraw/zinc/06/44/76/552064476.db2.gz	RRWNNPDUUFNKRA-INIZCTEOSA-N	1	0	365.384	1.234	20	30		FDEDRO
CC(C)NC(=O)CCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593302682	552085825	/nfs/dbraw/zinc/08/58/25/552085825.db2.gz	HJNOBDDAGTXXLR-UHFFFAOYSA-N	1	0	371.485	1.737	20	30		FDEDRO
COC[C@H](CCO)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593347697	552093348	/nfs/dbraw/zinc/09/33/48/552093348.db2.gz	FOKBPQNUPQFGPS-SFHVURJKSA-N	1	0	360.458	1.219	20	30		FDEDRO
Cc1nc(CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)no1	ZINC000593360383	552095983	/nfs/dbraw/zinc/09/59/83/552095983.db2.gz	UVXBHRHHNMTFCO-UHFFFAOYSA-N	1	0	354.414	1.714	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@@H]3C=C[C@H](CO)C3)CC2)c1	ZINC000593368728	552096403	/nfs/dbraw/zinc/09/64/03/552096403.db2.gz	GWKDXPGPHXPHKU-PKOBYXMFSA-N	1	0	354.454	1.759	20	30		FDEDRO
C[C@@]1(CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCC(=O)N1	ZINC000593411665	552104755	/nfs/dbraw/zinc/10/47/55/552104755.db2.gz	BITJFCGTILGVOU-FQEVSTJZSA-N	1	0	369.469	1.491	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@@H]3CCCNC3=O)CC2)c1	ZINC000593415402	552104998	/nfs/dbraw/zinc/10/49/98/552104998.db2.gz	XUPSZUFVHAXDCY-KRWDZBQOSA-N	1	0	369.469	1.348	20	30		FDEDRO
C[NH+](C)CCN1CCN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1=O	ZINC000593415582	552105280	/nfs/dbraw/zinc/10/52/80/552105280.db2.gz	HXOOCYBRNSSXTP-SFHVURJKSA-N	1	0	369.469	1.351	20	30		FDEDRO
COCC[C@H](CO)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593514087	552120683	/nfs/dbraw/zinc/12/06/83/552120683.db2.gz	OVVZEWAZMKDVAY-GOSISDBHSA-N	1	0	360.458	1.219	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@H]3CC[C@@H](CO)O3)CC2)c1	ZINC000593516271	552121196	/nfs/dbraw/zinc/12/11/96/552121196.db2.gz	MSVUJQJYCJLWPB-MOPGFXCFSA-N	1	0	372.469	1.362	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593518273	552121606	/nfs/dbraw/zinc/12/16/06/552121606.db2.gz	VAUYUEMYOGLSIE-IBGZPJMESA-N	1	0	354.454	1.596	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCC[NH+](C(C)C)C(C)C	ZINC000593525864	552123143	/nfs/dbraw/zinc/12/31/43/552123143.db2.gz	MLWWOAFIBFQGCD-UHFFFAOYSA-N	1	0	367.471	1.742	20	30		FDEDRO
CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(C#N)cc2C(=O)OC)CC1	ZINC000593528371	552123692	/nfs/dbraw/zinc/12/36/92/552123692.db2.gz	SUKLSVGCVGFQJO-UHFFFAOYSA-N	1	0	365.455	1.450	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1C(=O)OC	ZINC000593541741	552127946	/nfs/dbraw/zinc/12/79/46/552127946.db2.gz	NRRJIGOPVNYXOO-AWEZNQCLSA-N	1	0	365.455	1.498	20	30		FDEDRO
CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2ccsc2C#N)CC1	ZINC000593554119	552131938	/nfs/dbraw/zinc/13/19/38/552131938.db2.gz	YCOFTBXKIVCURO-ZDUSSCGKSA-N	1	0	356.517	1.172	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@H](C)C[NH+]1CCCCC1	ZINC000593581989	552143161	/nfs/dbraw/zinc/14/31/61/552143161.db2.gz	RXOJXIIETSULJU-CYBMUJFWSA-N	1	0	365.455	1.498	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C	ZINC000593581967	552143222	/nfs/dbraw/zinc/14/32/22/552143222.db2.gz	RNCSLQFDFOGBDD-AWEZNQCLSA-N	1	0	367.471	1.599	20	30		FDEDRO
N#Cc1sccc1S(=O)(=O)N1CCC[C@H](CN2CCOCC2)C1	ZINC000593591781	552146001	/nfs/dbraw/zinc/14/60/01/552146001.db2.gz	OANWUUQEEFJIRG-CYBMUJFWSA-N	1	0	355.485	1.353	20	30		FDEDRO
Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1Cc2cccc(C#N)c2C1	ZINC000593671116	552170371	/nfs/dbraw/zinc/17/03/71/552170371.db2.gz	JPLZCZOSGWNNAS-UHFFFAOYSA-N	1	0	373.482	1.638	20	30		FDEDRO
Cc1cc(S(=O)(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)ccc1C#N	ZINC000593735865	552187036	/nfs/dbraw/zinc/18/70/36/552187036.db2.gz	PJKNFFLGQQZXQN-JZXOWHBKSA-N	1	0	363.483	1.774	20	30		FDEDRO
N#Cc1cccc2c1CN(C(=O)C(=O)Nc1cnc3c(c1)C[C@H]([NH3+])CC3)C2	ZINC000593778728	552195856	/nfs/dbraw/zinc/19/58/56/552195856.db2.gz	QNQZPVFREMFBPU-OAHLLOKOSA-N	1	0	361.405	1.250	20	30		FDEDRO
CCN1CCOC[C@@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593885368	552217300	/nfs/dbraw/zinc/21/73/00/552217300.db2.gz	DNEVFQGTDQJIRI-LJQANCHMSA-N	1	0	356.470	1.360	20	30		FDEDRO
N#Cc1ccc(NCC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)nc1	ZINC000593887010	552217645	/nfs/dbraw/zinc/21/76/45/552217645.db2.gz	YTLCLOCWSCCZTJ-UHFFFAOYSA-N	1	0	374.448	2.018	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)N2Cc3ccc(C#N)cc3C2)CC1	ZINC000594229223	552267879	/nfs/dbraw/zinc/26/78/79/552267879.db2.gz	HAOZESPVWUQMDO-MRXNPFEDSA-N	1	0	355.486	1.857	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1	ZINC000594293446	552280081	/nfs/dbraw/zinc/28/00/81/552280081.db2.gz	UBMIDQDVORBJLH-XLIONFOSSA-N	1	0	354.498	1.975	20	30		FDEDRO
CC[NH+](CC)CC[C@H](CO)NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1	ZINC000594351458	552294108	/nfs/dbraw/zinc/29/41/08/552294108.db2.gz	ZOVSXDRMPIQQTM-IEBWSBKVSA-N	1	0	358.486	1.736	20	30		FDEDRO
N#Cc1ccc(OCc2ccc(C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)o2)cc1	ZINC000594392516	552301764	/nfs/dbraw/zinc/30/17/64/552301764.db2.gz	HGADBHYREWTJFN-JKSUJKDBSA-N	1	0	367.405	1.621	20	30		FDEDRO
Cc1ccc(C(=O)N2CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC2)cc1F	ZINC000594428746	552308883	/nfs/dbraw/zinc/30/88/83/552308883.db2.gz	NTZLUMNHNMTSAJ-QGZVFWFLSA-N	1	0	360.433	1.830	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1	ZINC000594434958	552309412	/nfs/dbraw/zinc/30/94/12/552309412.db2.gz	XJWRBHZQKMDAIK-AWEZNQCLSA-N	1	0	368.434	1.715	20	30		FDEDRO
COC(=O)c1ccc(N2CCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H](C)C2)cc1	ZINC000594436931	552309991	/nfs/dbraw/zinc/30/99/91/552309991.db2.gz	RFNRFRFPNYBAMH-CRAIPNDOSA-N	1	0	372.469	1.922	20	30		FDEDRO
Cc1ccc([C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)N2CCOCC2)cc1	ZINC000594440914	552311064	/nfs/dbraw/zinc/31/10/64/552311064.db2.gz	JFYLOYLWVOJGBL-MOPGFXCFSA-N	1	0	358.486	1.896	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)NCc1nnc2ccc(C(F)(F)F)cn21	ZINC000594441055	552311245	/nfs/dbraw/zinc/31/12/45/552311245.db2.gz	LSNXSALKOPFTEX-NSHDSACASA-N	1	0	354.336	1.776	20	30		FDEDRO
Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)[C@H]([NH3+])CCCCC#N	ZINC000594442396	552311421	/nfs/dbraw/zinc/31/14/21/552311421.db2.gz	FHFCTVCYYATSNE-NVXWUHKLSA-N	1	0	358.442	1.954	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1	ZINC000594446184	552312035	/nfs/dbraw/zinc/31/20/35/552312035.db2.gz	QFEAJMGWBFZQTK-INIZCTEOSA-N	1	0	362.861	1.922	20	30		FDEDRO
COc1ccc(CN2CC[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C2=O)cc1	ZINC000594447935	552312810	/nfs/dbraw/zinc/31/28/10/552312810.db2.gz	YCBOIRDGFLLNIP-DLBZAZTESA-N	1	0	358.442	1.324	20	30		FDEDRO
N#Cc1c(F)cccc1N1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1	ZINC000594525384	552327512	/nfs/dbraw/zinc/32/75/12/552327512.db2.gz	QKSCZUNGDPEEBF-ZDUSSCGKSA-N	1	0	359.327	1.419	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(C#N)cc1	ZINC000594618631	552341565	/nfs/dbraw/zinc/34/15/65/552341565.db2.gz	FJXCFLXOUSDEEH-QGTPRVQTSA-N	1	0	354.454	1.869	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)nc1	ZINC000594733564	552366692	/nfs/dbraw/zinc/36/66/92/552366692.db2.gz	YLAUARWFONNQTR-ROUUACIJSA-N	1	0	371.462	1.889	20	30		FDEDRO
C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000594803163	552391001	/nfs/dbraw/zinc/39/10/01/552391001.db2.gz	KDLXUIVOACIQJP-ZDUSSCGKSA-N	1	0	356.467	1.248	20	30		FDEDRO
C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)CC1(C#N)CCCCC1	ZINC000594803938	552391078	/nfs/dbraw/zinc/39/10/78/552391078.db2.gz	RTKXTGOQRBFKOM-INIZCTEOSA-N	1	0	358.552	1.652	20	30		FDEDRO
CN(CCC[NH+](C)C)CCNS(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000594820656	552398554	/nfs/dbraw/zinc/39/85/54/552398554.db2.gz	FBOLMTAWVHFAKX-UHFFFAOYSA-N	1	0	358.895	1.373	20	30		FDEDRO
COc1cc(C)c(C)cc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000595005348	552436291	/nfs/dbraw/zinc/43/62/91/552436291.db2.gz	XLIIIPYXEVYKEX-UHFFFAOYSA-N	1	0	360.458	1.945	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)s1	ZINC000595114323	552455086	/nfs/dbraw/zinc/45/50/86/552455086.db2.gz	WLCXKXYRGAEGTG-SGMGOOAPSA-N	1	0	355.485	1.527	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1C#N	ZINC000595117286	552456536	/nfs/dbraw/zinc/45/65/36/552456536.db2.gz	BPGSOWXZZWSIKJ-QZTJIDSGSA-N	1	0	374.441	1.825	20	30		FDEDRO
CN(C(=O)C(=O)N1CC[C@@](C)(C#N)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000595151281	552468780	/nfs/dbraw/zinc/46/87/80/552468780.db2.gz	SREPZODVXJQYIE-NQIIRXRSSA-N	1	0	368.481	1.872	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1	ZINC000595230374	552498902	/nfs/dbraw/zinc/49/89/02/552498902.db2.gz	YMDHJZQPYRXROT-MCIONIFRSA-N	1	0	373.482	1.714	20	30		FDEDRO
N#CC[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C1	ZINC000595238539	552501904	/nfs/dbraw/zinc/50/19/04/552501904.db2.gz	DPLWBMJFDBFSJO-RRQGHBQHSA-N	1	0	356.426	1.485	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1	ZINC000595239591	552502248	/nfs/dbraw/zinc/50/22/48/552502248.db2.gz	DKDMCEWRVTWEGC-MRXNPFEDSA-N	1	0	370.453	1.744	20	30		FDEDRO
N#Cc1sccc1N1CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)CC1	ZINC000595240204	552502792	/nfs/dbraw/zinc/50/27/92/552502792.db2.gz	QNDDDFNFARQVKT-UHFFFAOYSA-N	1	0	369.450	1.366	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)ccc1Br	ZINC000595253522	552505507	/nfs/dbraw/zinc/50/55/07/552505507.db2.gz	XNAKRIRVKOVYLG-UHFFFAOYSA-N	1	0	363.215	1.127	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1	ZINC000595257767	552506645	/nfs/dbraw/zinc/50/66/45/552506645.db2.gz	WJQWOIULYJZYNB-IXDOHACOSA-N	1	0	368.437	1.041	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)NCC34CC(C3)C[NH2+]4)C2=O)cc1	ZINC000595264831	552507926	/nfs/dbraw/zinc/50/79/26/552507926.db2.gz	RICISKNODNKKTM-RCDNUKIMSA-N	1	0	353.426	1.105	20	30		FDEDRO
N#CCN1CCC(NC(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)CC1	ZINC000595266135	552508308	/nfs/dbraw/zinc/50/83/08/552508308.db2.gz	OOEPSZGBTYCSMG-ROUUACIJSA-N	1	0	359.449	1.558	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1	ZINC000595281387	552511045	/nfs/dbraw/zinc/51/10/45/552511045.db2.gz	AGQWDRLBJOPLGS-HOTGVXAUSA-N	1	0	353.532	1.793	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)c(F)c1	ZINC000595279884	552511180	/nfs/dbraw/zinc/51/11/80/552511180.db2.gz	ZDYCNKKCSHLTRZ-MRXNPFEDSA-N	1	0	372.444	1.552	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)c(F)c1	ZINC000595279883	552511369	/nfs/dbraw/zinc/51/13/69/552511369.db2.gz	ZDYCNKKCSHLTRZ-INIZCTEOSA-N	1	0	372.444	1.552	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1	ZINC000595284166	552511548	/nfs/dbraw/zinc/51/15/48/552511548.db2.gz	NOVMQFBSHVMPLC-LJQANCHMSA-N	1	0	368.481	1.607	20	30		FDEDRO
COC(=O)CC[C@@H](C(=O)OC)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000595292233	552514080	/nfs/dbraw/zinc/51/40/80/552514080.db2.gz	WRKCWLCAUOGMMU-SFHVURJKSA-N	1	0	373.453	1.561	20	30		FDEDRO
CCOC(=O)C1CCN(C(=O)C[N@H+](C)CCc2ccc(C#N)cc2)CC1	ZINC000595308224	552518469	/nfs/dbraw/zinc/51/84/69/552518469.db2.gz	GGZZYKHOQDWHJF-UHFFFAOYSA-N	1	0	357.454	1.834	20	30		FDEDRO
N#Cc1ccc(F)c(CS(=O)(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1	ZINC000595383287	552543681	/nfs/dbraw/zinc/54/36/81/552543681.db2.gz	BTCUBUCQHPJUBK-MRXNPFEDSA-N	1	0	367.446	1.058	20	30		FDEDRO
C[NH+](C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)CC1(C#N)CCC1	ZINC000595403507	552551090	/nfs/dbraw/zinc/55/10/90/552551090.db2.gz	BDIDQCDHJLOIQY-HNNXBMFYSA-N	1	0	355.504	1.585	20	30		FDEDRO
N#Cc1cccc(CNC(=O)CN2CCC[C@H]([NH+]3CCOCC3)CC2)c1	ZINC000595468647	552567247	/nfs/dbraw/zinc/56/72/47/552567247.db2.gz	AUXUANCWEISPOU-IBGZPJMESA-N	1	0	356.470	1.361	20	30		FDEDRO
CN1CCC([N@@H+]2CC[C@H](NC(=O)NCCc3ccc(C#N)cc3)C2)CC1	ZINC000595514366	552576588	/nfs/dbraw/zinc/57/65/88/552576588.db2.gz	DURGYUQLRRVWHK-SFHVURJKSA-N	1	0	355.486	1.568	20	30		FDEDRO
CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)C1	ZINC000595630898	552594955	/nfs/dbraw/zinc/59/49/55/552594955.db2.gz	CIIVEWHTPGWHTD-ZACQAIPSSA-N	1	0	351.491	1.827	20	30		FDEDRO
CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000595632454	552595347	/nfs/dbraw/zinc/59/53/47/552595347.db2.gz	OGOIAVPFUNMMCN-XEYPJELSSA-N	1	0	362.470	1.648	20	30		FDEDRO
C[C@@H](NC(=O)C[NH2+]C(C)(C)c1cccc(C#N)c1)C(=O)N1CCCCC1	ZINC000595634420	552595650	/nfs/dbraw/zinc/59/56/50/552595650.db2.gz	CBRDQPXUUUZANS-OAHLLOKOSA-N	1	0	356.470	1.900	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)N2CCC[C@@H](CC#N)C2)(N2CCOCC2)CC1	ZINC000595646258	552596804	/nfs/dbraw/zinc/59/68/04/552596804.db2.gz	QLLJROORJZFTPG-KRWDZBQOSA-N	1	0	363.506	1.118	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3CC[N@@H+]3C(C)(C)C)CC2)c1C#N	ZINC000595665983	552600302	/nfs/dbraw/zinc/60/03/02/552600302.db2.gz	ZQQFRZVGFGDRPG-HNNXBMFYSA-N	1	0	373.505	1.305	20	30		FDEDRO
N#Cc1cccc(C2([NH2+]CCn3cc([N+](=O)[O-])ccc3=O)CCOCC2)c1	ZINC000595765945	552612974	/nfs/dbraw/zinc/61/29/74/552612974.db2.gz	XEMLAFIFYCAXMW-UHFFFAOYSA-N	1	0	368.393	1.924	20	30		FDEDRO
CC(C)CNC(=O)NC(=O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1	ZINC000595772187	552613557	/nfs/dbraw/zinc/61/35/57/552613557.db2.gz	GMQJRRKNAMLFJO-UHFFFAOYSA-N	1	0	358.442	1.635	20	30		FDEDRO
C=C[C@H](CO)[NH2+][C@H](C)C(=O)Nc1ccc(I)cc1	ZINC000595864052	552625462	/nfs/dbraw/zinc/62/54/62/552625462.db2.gz	NVJPJBPEEGMNKB-MWLCHTKSSA-N	1	0	360.195	1.755	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(C[C@@H](O)COc2ccc(CC#N)cc2)CCO1	ZINC000595904528	552631322	/nfs/dbraw/zinc/63/13/22/552631322.db2.gz	FDSKITWAAKOAIV-UYAOXDASSA-N	1	0	361.486	1.535	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1	ZINC000595907791	552631797	/nfs/dbraw/zinc/63/17/97/552631797.db2.gz	YLRKDEFAKDTMHM-MOPGFXCFSA-N	1	0	356.470	1.706	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)c3cc4c(s3)CC[NH2+]C4)CC2)c1	ZINC000595918455	552633183	/nfs/dbraw/zinc/63/31/83/552633183.db2.gz	CWADTHXBVARHCG-UHFFFAOYSA-N	1	0	353.451	1.623	20	30		FDEDRO
C=CC[C@]1(C(=O)Nc2ccc(CC(=O)NCC(=O)OC)cc2)CCC[NH2+]1	ZINC000595924454	552633980	/nfs/dbraw/zinc/63/39/80/552633980.db2.gz	FKSPDABZCSPDQS-LJQANCHMSA-N	1	0	359.426	1.155	20	30		FDEDRO
N#Cc1sccc1N1CCN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1	ZINC000595938727	552635896	/nfs/dbraw/zinc/63/58/96/552635896.db2.gz	QWPIDBYCPMAZGY-LBPRGKRZSA-N	1	0	356.455	1.382	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]CCN2C[C@H]3CCCCN3C2=O)cc1	ZINC000596064311	552651696	/nfs/dbraw/zinc/65/16/96/552651696.db2.gz	FTUKFMZDSCRCNR-QZTJIDSGSA-N	1	0	372.469	1.372	20	30		FDEDRO
CCc1nc(C#N)cc(NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)n1	ZINC000596073615	552652734	/nfs/dbraw/zinc/65/27/34/552652734.db2.gz	KBJHZSBXGUTEKA-INIZCTEOSA-N	1	0	350.470	2.533	20	30		FDEDRO
CCc1nc(C#N)cc(N2CCC(C(=O)NCCC[NH+](CC)CC)CC2)n1	ZINC000596075115	552652833	/nfs/dbraw/zinc/65/28/33/552652833.db2.gz	WZNDJKYAFBBVMJ-UHFFFAOYSA-N	1	0	372.517	1.975	20	30		FDEDRO
CCc1nc(C#N)cc(NCc2ccc(CN3CC[NH+](C)CC3)cc2)n1	ZINC000596078003	552653122	/nfs/dbraw/zinc/65/31/22/552653122.db2.gz	XWANRSDXQGZWBQ-UHFFFAOYSA-N	1	0	350.470	2.270	20	30		FDEDRO
C[C@@]1(NC(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)CC[NH2+]C1	ZINC000596128066	552658339	/nfs/dbraw/zinc/65/83/39/552658339.db2.gz	CQKZLMODKDOISN-QGZVFWFLSA-N	1	0	355.423	1.488	20	30		FDEDRO
CCc1nc(C#N)cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)n1	ZINC000596135753	552659027	/nfs/dbraw/zinc/65/90/27/552659027.db2.gz	LGTVRCGFARMIKV-FUHWJXTLSA-N	1	0	351.454	2.206	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nc3ncccc3cc2C#N)CC1	ZINC000596169608	552661873	/nfs/dbraw/zinc/66/18/73/552661873.db2.gz	SRJLFKAPRGSGGV-MRXNPFEDSA-N	1	0	350.426	1.244	20	30		FDEDRO
N#CCN1CCC(NC(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CC1	ZINC000596275859	552670373	/nfs/dbraw/zinc/67/03/73/552670373.db2.gz	YGYQVTQALSJYIX-IBGZPJMESA-N	1	0	371.485	1.040	20	30		FDEDRO
CN(C)C(=O)CN(CC[NH+](C)C)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1	ZINC000596465030	552681903	/nfs/dbraw/zinc/68/19/03/552681903.db2.gz	ZXKIRBVPTABWOM-UHFFFAOYSA-N	1	0	370.413	1.471	20	30		FDEDRO
CCN(C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H]1CC[N@H+](C)C1	ZINC000596582001	552691491	/nfs/dbraw/zinc/69/14/91/552691491.db2.gz	CJOFWGOUCZKYCF-ZWKOTPCHSA-N	1	0	369.469	1.395	20	30		FDEDRO
COC(=O)[C@H]1C[C@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000596648114	552696729	/nfs/dbraw/zinc/69/67/29/552696729.db2.gz	ITOQEBPEVWYCQV-SAABIXHNSA-N	1	0	370.453	1.773	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1	ZINC000596828845	552715516	/nfs/dbraw/zinc/71/55/16/552715516.db2.gz	JGAYYRRLYVKIJV-AWEZNQCLSA-N	1	0	373.505	1.845	20	30		FDEDRO
CN(C)C(=O)CN(CC[NH+](C)C)Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000597206760	552760455	/nfs/dbraw/zinc/76/04/55/552760455.db2.gz	VLNXAYDEBIGHLS-UHFFFAOYSA-N	1	0	368.485	1.411	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1	ZINC000597217250	552761888	/nfs/dbraw/zinc/76/18/88/552761888.db2.gz	BDHYQTZOAPHAIX-UHFFFAOYSA-N	1	0	369.531	1.029	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1)c1cccc(C#N)c1	ZINC000597255568	552765804	/nfs/dbraw/zinc/76/58/04/552765804.db2.gz	OYKXDLHVZYKKIZ-JKSUJKDBSA-N	1	0	356.470	1.972	20	30		FDEDRO
C=C(C)Cn1c(-c2cc[nH]n2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1	ZINC000597309476	552773129	/nfs/dbraw/zinc/77/31/29/552773129.db2.gz	GNCARJPCESZJKP-MRXNPFEDSA-N	1	0	370.505	1.461	20	30		FDEDRO
CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C1CC1	ZINC000597391647	552783377	/nfs/dbraw/zinc/78/33/77/552783377.db2.gz	WCYRYIHGEKCCIO-GOSISDBHSA-N	1	0	356.470	1.753	20	30		FDEDRO
CN1C(=O)CC[C@H]1CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000597476028	552793647	/nfs/dbraw/zinc/79/36/47/552793647.db2.gz	LZNJHXPNYZBILV-KRWDZBQOSA-N	1	0	354.454	1.672	20	30		FDEDRO
N#Cc1ccc(C[C@H](C#N)C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1	ZINC000597618086	552812599	/nfs/dbraw/zinc/81/25/99/552812599.db2.gz	BXMFGSMYBTVDSY-WOJBJXKFSA-N	1	0	366.465	1.954	20	30		FDEDRO
N#Cc1cccc(-c2cc(C(=O)NC[C@H]3C[N@@H+]4CCN3CCC4)on2)c1	ZINC000597624363	552813688	/nfs/dbraw/zinc/81/36/88/552813688.db2.gz	HVOOSTGZZPPTLR-INIZCTEOSA-N	1	0	351.410	1.333	20	30		FDEDRO
C[C@H](CC#N)C(=O)Nc1cccc(S(=O)(=O)NCCCC[NH+](C)C)c1	ZINC000597639636	552816237	/nfs/dbraw/zinc/81/62/37/552816237.db2.gz	UAJOYMLCXDZQNY-CQSZACIVSA-N	1	0	366.487	1.795	20	30		FDEDRO
C[NH+]1CCC2(CCN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)C2)CC1	ZINC000597666667	552819509	/nfs/dbraw/zinc/81/95/09/552819509.db2.gz	LXMLHCGFMQPFFN-UHFFFAOYSA-N	1	0	364.453	1.884	20	30		FDEDRO
C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2cc(C#N)cc(N(C)C)c2)CC1	ZINC000597678015	552821047	/nfs/dbraw/zinc/82/10/47/552821047.db2.gz	QBFBWLJYXCFABU-HNNXBMFYSA-N	1	0	356.470	1.950	20	30		FDEDRO
CC(C)C[C@H](NC(=O)c1cccc(C#N)n1)C(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000597693311	552822979	/nfs/dbraw/zinc/82/29/79/552822979.db2.gz	VRHUQTYEPRFJDX-RDJZCZTQSA-N	1	0	357.458	1.260	20	30		FDEDRO
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CSCc1ccc(C#N)cc1	ZINC000598187016	552873952	/nfs/dbraw/zinc/87/39/52/552873952.db2.gz	OQMABVSARZBSIG-UHFFFAOYSA-N	1	0	362.499	1.270	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)CN1CCN(C(=O)COc2ccc(F)cc2)CC1	ZINC000598589414	552912298	/nfs/dbraw/zinc/91/22/98/552912298.db2.gz	MKYVIOJBVFFUCT-INIZCTEOSA-N	1	0	363.433	1.649	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H](O)CC(C)(C)C#N)CCN1C[C@@H](O)CC(C)(C)C#N	ZINC000598593447	552912617	/nfs/dbraw/zinc/91/26/17/552912617.db2.gz	ATINAKMGPVOVEF-ZACQAIPSSA-N	1	0	350.507	1.594	20	30		FDEDRO
CC(=O)N[C@]1(c2nc(C)cs2)CC[N@H+](C[C@@H](O)CC(C)(C)C#N)C1	ZINC000598607481	552914947	/nfs/dbraw/zinc/91/49/47/552914947.db2.gz	PRCIBBZZRBSJAE-WMLDXEAASA-N	1	0	350.488	1.789	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1	ZINC000598732980	552928878	/nfs/dbraw/zinc/92/88/78/552928878.db2.gz	VSFBPPKZOORKRP-PXNSSMCTSA-N	1	0	352.438	1.413	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(C)C	ZINC000599287257	553015714	/nfs/dbraw/zinc/01/57/14/553015714.db2.gz	KDOJZAUIZHIHHS-ZDUSSCGKSA-N	1	0	371.463	1.305	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH+]2CCN(Cc3cccc(O)c3)CC2)CCOCC1	ZINC000599329429	553028844	/nfs/dbraw/zinc/02/88/44/553028844.db2.gz	KALFAEUQBYVTKV-LJQANCHMSA-N	1	0	359.470	1.581	20	30		FDEDRO
CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1	ZINC000599428455	553054654	/nfs/dbraw/zinc/05/46/54/553054654.db2.gz	KFQAQTRHTWESNY-JKSUJKDBSA-N	1	0	358.504	1.347	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C	ZINC000599441526	553057487	/nfs/dbraw/zinc/05/74/87/553057487.db2.gz	BSQDMQLMZZNCKC-JFIYKMOQSA-N	1	0	364.515	1.965	20	30		FDEDRO
COC(=O)[C@]12C[N@H+](C[C@H](O)CC3(C#N)CCOCC3)C[C@H]1CCCC2	ZINC000599453825	553061037	/nfs/dbraw/zinc/06/10/37/553061037.db2.gz	BXGKWYTWPJSLPC-GPMSIDNRSA-N	1	0	350.459	1.723	20	30		FDEDRO
CC1(C)CCC[C@](CO)([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000599594967	553098744	/nfs/dbraw/zinc/09/87/44/553098744.db2.gz	OBXJJJWMZNACHS-KRWDZBQOSA-N	1	0	351.472	1.648	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@]2(CO)CCCC(C)(C)C2)CC1	ZINC000599597902	553098938	/nfs/dbraw/zinc/09/89/38/553098938.db2.gz	ZRILUPKMXMORRP-YLJYHZDGSA-N	1	0	364.534	1.600	20	30		FDEDRO
N#Cc1cccc(Oc2ccc(NC(=O)NCC[N@H+]3CC[C@@H](O)C3)cn2)c1	ZINC000599720215	553130217	/nfs/dbraw/zinc/13/02/17/553130217.db2.gz	XGUCFLOZBRVFMG-MRXNPFEDSA-N	1	0	367.409	1.934	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CCCCC1	ZINC000599884701	553167183	/nfs/dbraw/zinc/16/71/83/553167183.db2.gz	AVTAYAJCFNVQMX-UHFFFAOYSA-N	1	0	356.426	1.697	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)cc1C#N	ZINC000599890616	553168836	/nfs/dbraw/zinc/16/88/36/553168836.db2.gz	SIWIJVOPKZVYSJ-MRXNPFEDSA-N	1	0	358.442	1.740	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1	ZINC000599904184	553171903	/nfs/dbraw/zinc/17/19/03/553171903.db2.gz	WLDGPDCTWLJMLH-QGZVFWFLSA-N	1	0	356.426	1.114	20	30		FDEDRO
N#Cc1cccc(-n2ccc(C(=O)N3CC[C@@H]([N@@H+]4CC[C@@H](O)C4)C3)n2)c1	ZINC000599939469	553179599	/nfs/dbraw/zinc/17/95/99/553179599.db2.gz	IWIXCASBDFAGFE-IAGOWNOFSA-N	1	0	351.410	1.025	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c(F)cc1C#N	ZINC000599940332	553179808	/nfs/dbraw/zinc/17/98/08/553179808.db2.gz	LRODMSWEIOYFMU-AWEZNQCLSA-N	1	0	374.416	1.731	20	30		FDEDRO
CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cc(OC)c(C#N)cc1F	ZINC000599980566	553192105	/nfs/dbraw/zinc/19/21/05/553192105.db2.gz	AUSYAJHDDUSNEN-LBPRGKRZSA-N	1	0	364.421	1.881	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCCC[N@H+](C)C1	ZINC000600034388	553205608	/nfs/dbraw/zinc/20/56/08/553205608.db2.gz	GWLVMNABRFCDQK-OAHLLOKOSA-N	1	0	358.442	1.744	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c(F)cc1C#N	ZINC000600059959	553210455	/nfs/dbraw/zinc/21/04/55/553210455.db2.gz	IBUNCLZCKNSNGM-CQSZACIVSA-N	1	0	374.416	1.778	20	30		FDEDRO
COc1cc(C[NH2+]C[C@H](O)CC2(C#N)CC2)ccc1OCC(=O)N(C)C	ZINC000600715209	553306407	/nfs/dbraw/zinc/30/64/07/553306407.db2.gz	AEQXQQYNHOSATJ-OAHLLOKOSA-N	1	0	361.442	1.307	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]CCCS(=O)(=O)c2ccccc2)CCOCC1	ZINC000600721501	553307070	/nfs/dbraw/zinc/30/70/70/553307070.db2.gz	MVULRXNSWYNXME-MRXNPFEDSA-N	1	0	366.483	1.511	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]CCCC(=O)N2Cc3ccccc3C2)CCOCC1	ZINC000600725341	553307611	/nfs/dbraw/zinc/30/76/11/553307611.db2.gz	JBLWYKVUSQZZSR-LJQANCHMSA-N	1	0	371.481	1.970	20	30		FDEDRO
COc1cc(OC)cc(OCC[NH2+]C[C@H](O)CC2(C#N)CCOCC2)c1	ZINC000600729067	553308340	/nfs/dbraw/zinc/30/83/40/553308340.db2.gz	DAMOCUCBCICXFI-OAHLLOKOSA-N	1	0	364.442	1.744	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]CC2CCN(CC(F)(F)F)CC2)CCOCC1	ZINC000600734026	553308884	/nfs/dbraw/zinc/30/88/84/553308884.db2.gz	NDOHWZAZORUCDB-OAHLLOKOSA-N	1	0	363.424	1.922	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H](CO)Cc1ccc(F)cc1	ZINC000600738306	553309137	/nfs/dbraw/zinc/30/91/37/553309137.db2.gz	JQCHBNHIGOMCIP-APWZRJJASA-N	1	0	358.413	1.878	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)CCOCC1	ZINC000600747024	553310671	/nfs/dbraw/zinc/31/06/71/553310671.db2.gz	ZJWSMAFAGRRHOH-IAGOWNOFSA-N	1	0	357.454	1.732	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)CCOCC1	ZINC000600750459	553310806	/nfs/dbraw/zinc/31/08/06/553310806.db2.gz	WLTUOZNRQGUZMC-CMKODMSKSA-N	1	0	362.445	1.953	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H](n2cccn2)C(F)(F)F)cc1	ZINC000600749241	553310813	/nfs/dbraw/zinc/31/08/13/553310813.db2.gz	WGFARMZTUMFRNM-CQSZACIVSA-N	1	0	372.372	1.922	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]([C@H]1CCCO1)C1(CO)CCC1	ZINC000600749202	553310915	/nfs/dbraw/zinc/31/09/15/553310915.db2.gz	PXULATSFABTPRU-QRQLOZEOSA-N	1	0	360.454	1.598	20	30		FDEDRO
N#CC1(C[NH2+]C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CCCCC1	ZINC000600752233	553311270	/nfs/dbraw/zinc/31/12/70/553311270.db2.gz	CQXNEESRZYZGFQ-MRXNPFEDSA-N	1	0	356.426	1.928	20	30		FDEDRO
CC(C)(C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC1	ZINC000600754735	553311695	/nfs/dbraw/zinc/31/16/95/553311695.db2.gz	HSKVKQFKTFXPSY-UHFFFAOYSA-N	1	0	363.483	1.570	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1c[nH]c(=O)s1	ZINC000601321572	553375406	/nfs/dbraw/zinc/37/54/06/553375406.db2.gz	OMPXLIKSMZWYGD-UHFFFAOYSA-N	1	0	366.468	1.473	20	30		FDEDRO
N#CCc1ccccc1S(=O)(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1	ZINC000601341936	553380011	/nfs/dbraw/zinc/38/00/11/553380011.db2.gz	MCSLYZORZDMHCD-SJLPKXTDSA-N	1	0	363.483	1.660	20	30		FDEDRO
C[C@@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)c1cccc(C#N)c1	ZINC000601360317	553385277	/nfs/dbraw/zinc/38/52/77/553385277.db2.gz	ZUBOZMZMAJWAFG-OAHLLOKOSA-N	1	0	350.488	1.176	20	30		FDEDRO
CN(C(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[C@H]1CCC[C@H]1C#N	ZINC000601573898	553438093	/nfs/dbraw/zinc/43/80/93/553438093.db2.gz	GLXZGHLTAYKJBT-XIRDDKMYSA-N	1	0	356.426	1.437	20	30		FDEDRO
CN(C(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[C@@H]1CCC[C@H]1C#N	ZINC000601573896	553438213	/nfs/dbraw/zinc/43/82/13/553438213.db2.gz	GLXZGHLTAYKJBT-UAGQMJEPSA-N	1	0	356.426	1.437	20	30		FDEDRO
COc1ccc(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cc1O	ZINC000601970525	553497624	/nfs/dbraw/zinc/49/76/24/553497624.db2.gz	LJXWAGDMISPKPU-UHFFFAOYSA-N	1	0	360.435	1.878	20	30		FDEDRO
N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+]2C[C@@H]3COC[C@@H]3C2)CC1	ZINC000601973202	553497863	/nfs/dbraw/zinc/49/78/63/553497863.db2.gz	LPFNKOAVUVQZQG-SCTDSRPQSA-N	1	0	372.444	1.113	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2cc(F)cc(C#N)c2)C[C@H](C)O1	ZINC000602019234	553502017	/nfs/dbraw/zinc/50/20/17/553502017.db2.gz	JGBMZRNLKSJRTB-BETUJISGSA-N	1	0	362.405	1.251	20	30		FDEDRO
CN1CCCC[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1=O	ZINC000602045957	553507479	/nfs/dbraw/zinc/50/74/79/553507479.db2.gz	DUVHBQHPCVNYDU-LJQANCHMSA-N	1	0	368.481	1.851	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC(C)([NH+]3CCCC3)CC2)ncc1C#N	ZINC000602059471	553510637	/nfs/dbraw/zinc/51/06/37/553510637.db2.gz	ZWZQKXOVMDPVBT-UHFFFAOYSA-N	1	0	355.442	1.677	20	30		FDEDRO
Cn1cnc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1=O	ZINC000602141160	553526750	/nfs/dbraw/zinc/52/67/50/553526750.db2.gz	IHGQSYRRCGPMPM-UHFFFAOYSA-N	1	0	351.410	1.068	20	30		FDEDRO
N#CC[C@]1(O)CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)C1	ZINC000602169394	553532934	/nfs/dbraw/zinc/53/29/34/553532934.db2.gz	YKZRIZUFAGNMAO-GIVPXCGWSA-N	1	0	369.465	1.402	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)c1cccc(C#N)c1	ZINC000602245048	553547224	/nfs/dbraw/zinc/54/72/24/553547224.db2.gz	ZZUJLECCTGQIIN-RDTXWAMCSA-N	1	0	354.454	1.869	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCCCCC#N	ZINC000602246843	553547865	/nfs/dbraw/zinc/54/78/65/553547865.db2.gz	SVBGDKGFUIFKIL-FUHWJXTLSA-N	1	0	356.470	1.681	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NCC[C@H](O)C(F)F)CC2)c1	ZINC000602336538	553565551	/nfs/dbraw/zinc/56/55/51/553565551.db2.gz	ZVQXKEZLPFNEIY-INIZCTEOSA-N	1	0	366.412	1.838	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+]CCS(=O)(=O)N1CCSCC1	ZINC000602540071	553602316	/nfs/dbraw/zinc/60/23/16/553602316.db2.gz	VGPNGYBAGCRITO-CQSZACIVSA-N	1	0	361.533	1.054	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1	ZINC000602538972	553602240	/nfs/dbraw/zinc/60/22/40/553602240.db2.gz	NUNADFFIRZYXMT-HOTGVXAUSA-N	1	0	350.850	1.683	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1	ZINC000602566242	553606352	/nfs/dbraw/zinc/60/63/52/553606352.db2.gz	DYNWITGSCCBIPP-CQSZACIVSA-N	1	0	355.504	1.632	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1	ZINC000602574751	553607030	/nfs/dbraw/zinc/60/70/30/553607030.db2.gz	MQJATYWJJOFCHL-YJBOKZPZSA-N	1	0	357.454	1.943	20	30		FDEDRO
C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NCc1cccc(C#N)n1	ZINC000602577565	553607438	/nfs/dbraw/zinc/60/74/38/553607438.db2.gz	VXJLLUTYHYAYQK-IBGZPJMESA-N	1	0	351.454	1.332	20	30		FDEDRO
CCOC1CC(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)(N2CCOCC2)C1	ZINC000602635770	553615598	/nfs/dbraw/zinc/61/55/98/553615598.db2.gz	BRHYXYGUQRBJTC-ZJRDLVKKSA-N	1	0	365.518	1.945	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1	ZINC000602701693	553624787	/nfs/dbraw/zinc/62/47/87/553624787.db2.gz	WZHRAGBLLJXSEA-HUUCEWRRSA-N	1	0	364.467	1.910	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@]1(CO)COCC2(CCC2)N1C	ZINC000602720520	553627148	/nfs/dbraw/zinc/62/71/48/553627148.db2.gz	JTVBPJHHDKWQRW-APWZRJJASA-N	1	0	351.491	1.291	20	30		FDEDRO
C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C[C@H](C)N1CC#N	ZINC000602847647	553650272	/nfs/dbraw/zinc/65/02/72/553650272.db2.gz	BYXKOJSUZIIESA-UXLLHSPISA-N	1	0	372.469	1.229	20	30		FDEDRO
Cn1cc(C#N)c(NC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)n1	ZINC000602885370	553659524	/nfs/dbraw/zinc/65/95/24/553659524.db2.gz	DAAIRDIQTSMSEQ-UHFFFAOYSA-N	1	0	353.430	1.720	20	30		FDEDRO
C[NH+](C)C[C@]1(O)CCCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000602888644	553660781	/nfs/dbraw/zinc/66/07/81/553660781.db2.gz	ABAUDTPXNHAQAY-QGZVFWFLSA-N	1	0	350.850	1.539	20	30		FDEDRO
CCS(=O)(=O)NCCC[NH+]1CCC(Nc2ccccc2C#N)CC1	ZINC000602893735	553662975	/nfs/dbraw/zinc/66/29/75/553662975.db2.gz	FPLWJUHDWASPKT-UHFFFAOYSA-N	1	0	350.488	1.764	20	30		FDEDRO
N#Cc1ccccc1NC1CC[NH+](C[C@@H](O)COC[C@@H]2CCCO2)CC1	ZINC000602898351	553664198	/nfs/dbraw/zinc/66/41/98/553664198.db2.gz	RDQWKJOCFBEBBA-MOPGFXCFSA-N	1	0	359.470	1.991	20	30		FDEDRO
C[NH+](C)C[C@H]1COC2(CCCC2)CN1C[C@@H](O)COc1ccc(C#N)cc1	ZINC000602912840	553667507	/nfs/dbraw/zinc/66/75/07/553667507.db2.gz	LOAMFJWHPBXCLL-RBUKOAKNSA-N	1	0	373.497	1.873	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)CN1CC2(CCCC2)OC[C@H]1C[NH+](C)C	ZINC000602913610	553668083	/nfs/dbraw/zinc/66/80/83/553668083.db2.gz	PNJULZREAVSMLL-IAGOWNOFSA-N	1	0	350.507	1.570	20	30		FDEDRO
COC[C@](C)(CO)[NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1	ZINC000602933714	553673454	/nfs/dbraw/zinc/67/34/54/553673454.db2.gz	XXLJOZYIIRDDBU-KRWDZBQOSA-N	1	0	353.850	1.882	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C[C@H](C)N1CC#N	ZINC000603091851	553707423	/nfs/dbraw/zinc/70/74/23/553707423.db2.gz	OQDWLTKBLLFACA-UXLLHSPISA-N	1	0	350.532	1.649	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)n1cc(C[C@H]2CC[NH2+]C2)nn1	ZINC000603175863	553722737	/nfs/dbraw/zinc/72/27/37/553722737.db2.gz	MVJWPZOKAGPECE-HZPDHXFCSA-N	1	0	352.442	1.938	20	30		FDEDRO
COCC[C@@H]([NH3+])Cc1cn(Cc2ccc(Br)cc2C#N)nn1	ZINC000603241780	553740364	/nfs/dbraw/zinc/74/03/64/553740364.db2.gz	NHHGRPUSDBRSFU-CQSZACIVSA-N	1	0	364.247	1.867	20	30		FDEDRO
C[C@H]1COCC[C@H]1S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000603273453	553749935	/nfs/dbraw/zinc/74/99/35/553749935.db2.gz	QDILDLAMKHVOGQ-MAUKXSAKSA-N	1	0	365.499	1.677	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N1CCCC[C@@H]1[C@H](C)C[NH+](C)C	ZINC000603389735	553778107	/nfs/dbraw/zinc/77/81/07/553778107.db2.gz	DPIZKUFYMGBTMZ-HZPDHXFCSA-N	1	0	360.524	1.145	20	30		FDEDRO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1cc(C#N)c(Br)cn1	ZINC000603398706	553779994	/nfs/dbraw/zinc/77/99/94/553779994.db2.gz	ONPFNGGHIGUFRX-SNVBAGLBSA-N	1	0	352.236	1.272	20	30		FDEDRO
N#C[C@@]1(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC12CCCC2	ZINC000603410677	553782013	/nfs/dbraw/zinc/78/20/13/553782013.db2.gz	IYIHGPCVKQLMBD-YLJYHZDGSA-N	1	0	360.502	1.373	20	30		FDEDRO
N#Cc1c2c(cnc1N[C@H]1CCC[N@H+](CCN3CCOCC3)C1)CCC2	ZINC000603422801	553784792	/nfs/dbraw/zinc/78/47/92/553784792.db2.gz	JEEPANBPDGUWLV-KRWDZBQOSA-N	1	0	355.486	1.650	20	30		FDEDRO
C[C@]1(C#N)CCCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1	ZINC000603436615	553788471	/nfs/dbraw/zinc/78/84/71/553788471.db2.gz	QQJVLYSBNHVTTO-PKOBYXMFSA-N	1	0	363.506	1.118	20	30		FDEDRO
N#CCN1CCC([NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)CC1	ZINC000609323711	554365269	/nfs/dbraw/zinc/36/52/69/554365269.db2.gz	SILMMBINOFHVAN-CQSZACIVSA-N	1	0	351.248	1.553	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)[N@H+](C)C1CC1	ZINC000609213309	554350135	/nfs/dbraw/zinc/35/01/35/554350135.db2.gz	ULHLEUNPAZGKKF-CYBMUJFWSA-N	1	0	372.473	1.738	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H](NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C1	ZINC000609268792	554353828	/nfs/dbraw/zinc/35/38/28/554353828.db2.gz	BRVTUISIFWKACW-OAHLLOKOSA-N	1	0	360.458	1.435	20	30		FDEDRO
Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC1CCN(CC#N)CC1	ZINC000609335311	554367108	/nfs/dbraw/zinc/36/71/08/554367108.db2.gz	MVCQDHFBGAZKPL-UHFFFAOYSA-N	1	0	370.501	1.856	20	30		FDEDRO
N#CCN1CCC(NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC1	ZINC000609337808	554368663	/nfs/dbraw/zinc/36/86/63/554368663.db2.gz	IBVCZSXXHAWYCK-UHFFFAOYSA-N	1	0	369.513	1.981	20	30		FDEDRO
CN(C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[C@H]1CC[N@@H+](C2CC2)C1	ZINC000609557270	554393026	/nfs/dbraw/zinc/39/30/26/554393026.db2.gz	DOGQHQRQTADQHQ-SFHVURJKSA-N	1	0	368.485	1.800	20	30		FDEDRO
CN(C(=O)CNc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000609559752	554393424	/nfs/dbraw/zinc/39/34/24/554393424.db2.gz	NTKVKDYWDUYBAK-LJQANCHMSA-N	1	0	355.486	1.597	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC1	ZINC000609582961	554397010	/nfs/dbraw/zinc/39/70/10/554397010.db2.gz	FNOGFODMYHIYGQ-YLJYHZDGSA-N	1	0	369.513	1.669	20	30		FDEDRO
Cc1oc(NC(=O)CN2CCC[N@H+](C[C@H]3CCCO3)CC2)c(C#N)c1C	ZINC000610002842	554448200	/nfs/dbraw/zinc/44/82/00/554448200.db2.gz	OMMMZFMCEQELEV-MRXNPFEDSA-N	1	0	360.458	1.893	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCC2([NH+]3CCCC3)CCOCC2)c(F)c1	ZINC000610084814	554458477	/nfs/dbraw/zinc/45/84/77/554458477.db2.gz	NZKSKARNROLFAB-UHFFFAOYSA-N	1	0	367.446	1.621	20	30		FDEDRO
Cc1cc(F)cc2c1ncc(C#N)c2N1CCN(CC(=O)N(C)C)CC1	ZINC000610245496	554477655	/nfs/dbraw/zinc/47/76/55/554477655.db2.gz	JDPFMTNWDIVTMX-UHFFFAOYSA-N	1	0	355.417	1.764	20	30		FDEDRO
C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(C#N)c1	ZINC000610401716	554500047	/nfs/dbraw/zinc/50/00/47/554500047.db2.gz	YVSAVKYXWMWQAL-MAUKXSAKSA-N	1	0	371.485	1.861	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC[N@@H+]1C	ZINC000610404715	554500341	/nfs/dbraw/zinc/50/03/41/554500341.db2.gz	ROWWMDFUNBKVHK-UKRRQHHQSA-N	1	0	372.473	1.738	20	30		FDEDRO
CCN1CCO[C@H](C(=O)N[C@H](C#N)c2ccccc2Br)C1	ZINC000610428944	554504623	/nfs/dbraw/zinc/50/46/23/554504623.db2.gz	ABKCDAHKUXJBFL-KGLIPLIRSA-N	1	0	352.232	1.851	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[NH2+][C@@H](Cn1cccn1)c1ccccc1	ZINC000610433086	554505449	/nfs/dbraw/zinc/50/54/49/554505449.db2.gz	WTPKUILYZFRAMC-SFHVURJKSA-N	1	0	350.426	1.870	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]2C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1	ZINC000610527111	554522997	/nfs/dbraw/zinc/52/29/97/554522997.db2.gz	JXOUZJGBWULVQD-ICSRJNTNSA-N	1	0	368.481	1.708	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)NC2CCN(CC#N)CC2)C[N@@H+]1Cc1ccccc1	ZINC000610707188	554552762	/nfs/dbraw/zinc/55/27/62/554552762.db2.gz	DFUKLFOCVKTQKP-APWZRJJASA-N	1	0	355.486	1.937	20	30		FDEDRO
C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)CCCC[NH+](C)C	ZINC000610808937	554565258	/nfs/dbraw/zinc/56/52/58/554565258.db2.gz	ITULZBBEVFYOSF-AWEZNQCLSA-N	1	0	366.487	1.025	20	30		FDEDRO
N#Cc1cccc(C2(C(=O)N3CCN(CC[NH+]4CCCC4)CC3)CC2)c1	ZINC000610932844	554582771	/nfs/dbraw/zinc/58/27/71/554582771.db2.gz	BXTGWIZEWGGVOZ-UHFFFAOYSA-N	1	0	352.482	1.830	20	30		FDEDRO
Cc1nc(NC2CCN(CC#N)CC2)cc(NC2CCN(CC#N)CC2)[nH+]1	ZINC000611030234	554597538	/nfs/dbraw/zinc/59/75/38/554597538.db2.gz	FGYLODSUBCEMOM-UHFFFAOYSA-N	1	0	368.489	1.585	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)cc1	ZINC000611197037	554614563	/nfs/dbraw/zinc/61/45/63/554614563.db2.gz	VHGRXENTPOPZIT-WOJBJXKFSA-N	1	0	370.497	1.880	20	30		FDEDRO
C[C@@H]1COCCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000611430895	554632872	/nfs/dbraw/zinc/63/28/72/554632872.db2.gz	FRQBKEVACAYBPM-CVEARBPZSA-N	1	0	362.499	1.568	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1	ZINC000611556094	554645699	/nfs/dbraw/zinc/64/56/99/554645699.db2.gz	CFFXXARGBKSOSA-RDTXWAMCSA-N	1	0	353.463	1.475	20	30		FDEDRO
Cc1cn2c(n1)CN(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)CC2	ZINC000611847348	554690188	/nfs/dbraw/zinc/69/01/88/554690188.db2.gz	CXPOPCBFMAWPMO-UHFFFAOYSA-N	1	0	372.450	1.925	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000611993017	554716146	/nfs/dbraw/zinc/71/61/46/554716146.db2.gz	UWLACAJBJORJQG-DOTOQJQBSA-N	1	0	374.460	1.751	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)N3CCC[C@](C)(C#N)C3)ccn2)CC1	ZINC000612107920	554734939	/nfs/dbraw/zinc/73/49/39/554734939.db2.gz	CBBPIRAVAMLTQB-LJQANCHMSA-N	1	0	356.474	1.669	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CCC[C@@](C)(C#N)C2)c1	ZINC000612118836	554736409	/nfs/dbraw/zinc/73/64/09/554736409.db2.gz	ALRPMGZEGIQBNA-FQEVSTJZSA-N	1	0	371.485	1.813	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1	ZINC000612724031	554830474	/nfs/dbraw/zinc/83/04/74/554830474.db2.gz	RBGMZSNTMBFLKX-LJQANCHMSA-N	1	0	370.497	1.119	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)n1	ZINC000612840377	554848654	/nfs/dbraw/zinc/84/86/54/554848654.db2.gz	SWGHMQRIKFZFCR-RDJZCZTQSA-N	1	0	354.458	1.412	20	30		FDEDRO
O=C(CN1C[C@H]2C[NH2+]C[C@@H]2C1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000613994660	554995331	/nfs/dbraw/zinc/99/53/31/554995331.db2.gz	AEOXVJJDAOIOBC-HUUCEWRRSA-N	1	0	351.372	1.324	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCOCC3(CCCC3)C2)CC1	ZINC000614222986	555026288	/nfs/dbraw/zinc/02/62/88/555026288.db2.gz	YLRIRLRMEWYEPJ-SFHVURJKSA-N	1	0	362.518	1.571	20	30		FDEDRO
C=C[C@@](C)(O)C(=O)Nc1cccc(S(=O)(=O)NCCCC[NH+](C)C)c1	ZINC000614593660	555077243	/nfs/dbraw/zinc/07/72/43/555077243.db2.gz	ZHGWDXSHXQXQDO-QGZVFWFLSA-N	1	0	369.487	1.182	20	30		FDEDRO
CN1CCC(CNC(=O)N2CC[C@@](F)(C#N)C2)([NH+]2CCCCC2)CC1	ZINC000615591198	555217215	/nfs/dbraw/zinc/21/72/15/555217215.db2.gz	HKFZNPIBCJNFOC-QGZVFWFLSA-N	1	0	351.470	1.584	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C(N)=O)(c2ccccc2)CC1	ZINC000615782279	555239789	/nfs/dbraw/zinc/23/97/89/555239789.db2.gz	SBNFDKXPMNSCPA-OAHLLOKOSA-N	1	0	354.454	1.456	20	30		FDEDRO
Cn1cc(C#N)c(=NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)[nH]1	ZINC000617589523	555470502	/nfs/dbraw/zinc/47/05/02/555470502.db2.gz	CYVDUQGVDKVLNG-KRWDZBQOSA-N	1	0	368.441	1.704	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@@H]3CCCC(=O)N3)CC2)cc1	ZINC000619050072	555716734	/nfs/dbraw/zinc/71/67/34/555716734.db2.gz	KAHUWRAONVZNIR-SFHVURJKSA-N	1	0	369.469	1.444	20	30		FDEDRO
C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)cn1	ZINC000619067002	555720981	/nfs/dbraw/zinc/72/09/81/555720981.db2.gz	SVBWTMDHNFAWKK-UHFFFAOYSA-N	1	0	371.445	1.450	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)o1	ZINC000619429427	555774990	/nfs/dbraw/zinc/77/49/90/555774990.db2.gz	IWXWVEOCHCOYLE-JKSUJKDBSA-N	1	0	357.458	1.814	20	30		FDEDRO
CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2cccc(CC#N)c2)CC1	ZINC000619488966	555787039	/nfs/dbraw/zinc/78/70/39/555787039.db2.gz	UKHICSCPMRDCKZ-UHFFFAOYSA-N	1	0	365.499	1.920	20	30		FDEDRO
CC1(C)C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C[C@@]2(CCOC2)O1	ZINC000619516434	555793319	/nfs/dbraw/zinc/79/33/19/555793319.db2.gz	ASDFIMYEKPXSRP-FXAWDEMLSA-N	1	0	360.454	1.762	20	30		FDEDRO
C[C@H](C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1)n1cnc(C#N)n1	ZINC000619611602	555809265	/nfs/dbraw/zinc/80/92/65/555809265.db2.gz	OJWZYYDBNJINQH-OAHLLOKOSA-N	1	0	364.453	1.760	20	30		FDEDRO
CN1CCN(C(=O)CC[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1	ZINC000619781314	555833169	/nfs/dbraw/zinc/83/31/69/555833169.db2.gz	SPBRJVMSWCEFJY-LJQANCHMSA-N	1	0	373.476	1.172	20	30		FDEDRO
C=CCOc1cc(OC)ccc1C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC000620479214	555936987	/nfs/dbraw/zinc/93/69/87/555936987.db2.gz	PPZSKQKHIPDILV-INIZCTEOSA-N	1	0	360.454	1.931	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCc3nc(C(C)C)ncc3C2)CC1	ZINC000623183260	556370062	/nfs/dbraw/zinc/37/00/62/556370062.db2.gz	QIDQKTYSMHEFHX-UHFFFAOYSA-N	1	0	371.485	1.251	20	30		FDEDRO
C=CCOc1c(Cl)cc(C[NH2+]CC(=O)N2CCOCC2)cc1OC	ZINC000623485860	556429991	/nfs/dbraw/zinc/42/99/91/556429991.db2.gz	DMBDXNOYZQNYCX-UHFFFAOYSA-N	1	0	354.834	1.862	20	30		FDEDRO
C=CCn1c(-c2cn[nH]c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C	ZINC000624847626	556654253	/nfs/dbraw/zinc/65/42/53/556654253.db2.gz	RIIYRTKDCLIOOR-AWEZNQCLSA-N	1	0	357.462	1.544	20	30		FDEDRO
C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000624987229	556685836	/nfs/dbraw/zinc/68/58/36/556685836.db2.gz	QXMOPXFZDFSNFJ-MRXNPFEDSA-N	1	0	357.462	1.545	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)NC[C@H]1CCN1Cc1ccc(OC)cc1	ZINC000625358421	556782619	/nfs/dbraw/zinc/78/26/19/556782619.db2.gz	OMKYLRYGCSKVKW-QGZVFWFLSA-N	1	0	359.470	1.810	20	30		FDEDRO
CN(C)C(=O)C1([NH2+]CC#CCN2C(=O)c3ccccc3C2=O)CCCCC1	ZINC000625455822	556812416	/nfs/dbraw/zinc/81/24/16/556812416.db2.gz	LZCWZNQBYUFSDR-UHFFFAOYSA-N	1	0	367.449	1.667	20	30		FDEDRO
O=C1CCCN1C[C@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000625558130	556852789	/nfs/dbraw/zinc/85/27/89/556852789.db2.gz	MAKIWDZXVYKCKH-INIZCTEOSA-N	1	0	365.433	1.230	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccnc(N2CCOCC2)n1)C(C)C	ZINC000625556494	556853159	/nfs/dbraw/zinc/85/31/59/556853159.db2.gz	ISCUIDWFOPJOLM-GOSISDBHSA-N	1	0	373.501	1.742	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)N1CCC(CC)([NH+]2CCOCC2)CC1	ZINC000625779638	556924719	/nfs/dbraw/zinc/92/47/19/556924719.db2.gz	XCFKJOFZNOUQFD-UHFFFAOYSA-N	1	0	365.518	1.952	20	30		FDEDRO
CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000626865650	557203593	/nfs/dbraw/zinc/20/35/93/557203593.db2.gz	RIVBFBOHXOZQOD-RBUKOAKNSA-N	1	0	362.433	1.677	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1	ZINC000627316679	557348962	/nfs/dbraw/zinc/34/89/62/557348962.db2.gz	RFZAWHOGPUAKFL-UIFIKXQLSA-N	1	0	355.482	1.748	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1	ZINC000632397794	558147246	/nfs/dbraw/zinc/14/72/46/558147246.db2.gz	MOZZONNGUWMQGN-UHFFFAOYSA-N	1	0	365.518	1.666	20	30		FDEDRO
C=C(C)Cn1c(COCCOC)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1	ZINC000634383313	558457417	/nfs/dbraw/zinc/45/74/17/558457417.db2.gz	XHTFZMJVPLSHBA-MRXNPFEDSA-N	1	0	351.495	1.794	20	30		FDEDRO
C#CCC[NH+]1CCN(c2nc(C(F)(F)F)ccc2-c2nn[nH]n2)CC1	ZINC000735375058	599047708	/nfs/dbraw/zinc/04/77/08/599047708.db2.gz	IVQHDJGSILFTEE-UHFFFAOYSA-N	1	0	351.336	1.426	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000735425802	598390017	/nfs/dbraw/zinc/39/00/17/598390017.db2.gz	HMQUZPYRIIGQMI-ZDUSSCGKSA-N	1	0	355.446	1.877	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCCOc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000735375093	599364559	/nfs/dbraw/zinc/36/45/59/599364559.db2.gz	SMLZCQSVUKJMPC-UHFFFAOYSA-N	1	0	355.398	1.134	20	30		FDEDRO
C[C@@H]1C[N@@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC[C@H]1N1CC[NH+](C)CC1	ZINC000833625365	605052101	/nfs/dbraw/zinc/05/21/01/605052101.db2.gz	UQDLIYSAWMPYIM-LZQZEXGQSA-N	1	0	356.470	1.642	20	30		FDEDRO
CC#CCNC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000823937330	608100756	/nfs/dbraw/zinc/10/07/56/608100756.db2.gz	SBSQBMNBMKTCBJ-UHFFFAOYSA-N	1	0	353.430	1.107	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccc(-c2nn[nH]n2)cc1	ZINC000824562040	608465055	/nfs/dbraw/zinc/46/50/55/608465055.db2.gz	BWYLCHGGSPEFFK-CYBMUJFWSA-N	1	0	361.409	1.705	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccc(C(=O)OC)o2)CC1	ZINC000276667481	674748422	/nfs/dbraw/zinc/74/84/22/674748422.db2.gz	RCXITAPJKNENFX-UHFFFAOYSA-N	1	0	352.391	1.091	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O)C(C)C	ZINC000047633442	671041920	/nfs/dbraw/zinc/04/19/20/671041920.db2.gz	ONMJCGMAQQDIPA-DLBZAZTESA-N	1	0	371.547	1.615	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH2+]CCS(=O)(=O)NCC2CCC2)cc1	ZINC000068986748	671375359	/nfs/dbraw/zinc/37/53/59/671375359.db2.gz	JZZUJPWFGVHPLS-CQSZACIVSA-N	1	0	351.472	1.787	20	30		FDEDRO
C[NH+]=C(NCCNS(=O)(=O)c1ccccc1)N1C[C@H](C)C[C@@H](C)C1	ZINC000073069063	671398418	/nfs/dbraw/zinc/39/84/18/671398418.db2.gz	VRKHGGZZZAJOHF-HUUCEWRRSA-N	1	0	352.504	1.518	20	30		FDEDRO
C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(S(=O)(=O)c2ccc(C#N)o2)CC1	ZINC000286744629	675903108	/nfs/dbraw/zinc/90/31/08/675903108.db2.gz	CXLGMQFBGACJOT-GJZGRUSLSA-N	1	0	366.487	1.330	20	30		FDEDRO
CCN(CCCNC(=[NH2+])Nc1ccc(OC(C)C)cc1)S(C)(=O)=O	ZINC000104176963	671595009	/nfs/dbraw/zinc/59/50/09/671595009.db2.gz	ABRZCIQZIJLIOO-UHFFFAOYSA-N	1	0	356.492	1.872	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(S(=O)(=O)c2cccc(F)c2C#N)CC1	ZINC000119715618	671678626	/nfs/dbraw/zinc/67/86/26/671678626.db2.gz	SQURTZQUWQHLLX-UHFFFAOYSA-N	1	0	355.435	1.165	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cc(S(=O)(=O)NC)cs1	ZINC000121398312	671703855	/nfs/dbraw/zinc/70/38/55/671703855.db2.gz	KPYSEOKOQHECSG-GFCCVEGCSA-N	1	0	358.485	1.547	20	30		FDEDRO
CCNS(=O)(=O)c1ccc(CNC(=[NH2+])Nc2cccc(OC)c2)cc1	ZINC000123569471	671727517	/nfs/dbraw/zinc/72/75/17/671727517.db2.gz	KKUPIXLUYKXAKG-UHFFFAOYSA-N	1	0	362.455	1.920	20	30		FDEDRO
CC[NH+]=C(NC[C@]1(O)CCSC1)N1CCN(c2ccc(F)cc2)CC1	ZINC000152450634	671882831	/nfs/dbraw/zinc/88/28/31/671882831.db2.gz	LWGPLBNAXRASED-GOSISDBHSA-N	1	0	366.506	1.781	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])ccc1F	ZINC000156609945	671957740	/nfs/dbraw/zinc/95/77/40/671957740.db2.gz	LCSFKALMDKWGQT-WFASDCNBSA-N	1	0	369.462	1.489	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1	ZINC000170647339	672044837	/nfs/dbraw/zinc/04/48/37/672044837.db2.gz	ZKPYLDDATLNTTN-HUUCEWRRSA-N	1	0	352.479	1.841	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCOC[C@@H]2C[C@@H](O)c2cccs2)CC1	ZINC000176978194	672119794	/nfs/dbraw/zinc/11/97/94/672119794.db2.gz	SWCVPJAVFURFQF-DLBZAZTESA-N	1	0	362.495	1.744	20	30		FDEDRO
CN(C)C(=O)C[NH+]=C(NCc1cccs1)N1CC[C@]2(CCOC2)C1	ZINC000185535640	672260809	/nfs/dbraw/zinc/26/08/09/672260809.db2.gz	BPHJMUFSZRFVTN-KRWDZBQOSA-N	1	0	350.488	1.394	20	30		FDEDRO
CCOC(=O)N1CCC([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)CC1	ZINC000186422083	672272184	/nfs/dbraw/zinc/27/21/84/672272184.db2.gz	HZDCYRRYBARAGE-UGSOOPFHSA-N	1	0	350.463	1.641	20	30		FDEDRO
C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1	ZINC000261660697	672644733	/nfs/dbraw/zinc/64/47/33/672644733.db2.gz	NWWRICJEVOWOLQ-YESZJQIVSA-N	1	0	370.563	1.792	20	30		FDEDRO
C[NH+]=C(NCc1sc(C)nc1C)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000261672042	672648129	/nfs/dbraw/zinc/64/81/29/672648129.db2.gz	GWKCXQCKLNALRD-HNNXBMFYSA-N	1	0	351.520	1.489	20	30		FDEDRO
CC[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N1CC[C@](C)(CC)C1	ZINC000261748755	672664372	/nfs/dbraw/zinc/66/43/72/672664372.db2.gz	LOFOCZPFQPTONY-KRWDZBQOSA-N	1	0	358.552	1.746	20	30		FDEDRO
C[NH+]=C(NC[C@H](O)c1cc2ccccc2s1)NC[C@@]1(O)CCSC1	ZINC000261810896	672676050	/nfs/dbraw/zinc/67/60/50/672676050.db2.gz	SMAWFULFSVUIEH-GUYCJALGSA-N	1	0	365.524	1.968	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCC[C@H]1O)N(C)Cc1cc(Br)cn1C	ZINC000261844512	672681970	/nfs/dbraw/zinc/68/19/70/672681970.db2.gz	XCIBNWUHRPBEDK-BXUZGUMPSA-N	1	0	357.296	1.956	20	30		FDEDRO
C[NH+]=C(NCCNC(=O)c1ccc(Cl)cc1)N1CC[C@@]2(CCOC2)C1	ZINC000261963377	672703520	/nfs/dbraw/zinc/70/35/20/672703520.db2.gz	KULXYTQHAXAGCB-GOSISDBHSA-N	1	0	364.877	1.758	20	30		FDEDRO
C[NH+]=C(NCC1(N(C)C)CCCCC1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261978892	672705900	/nfs/dbraw/zinc/70/59/00/672705900.db2.gz	OJRONTVXVQRADJ-UHFFFAOYSA-N	1	0	358.552	1.335	20	30		FDEDRO
CC[NH+]=C(NCc1ccnc(OC)c1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261980724	672706179	/nfs/dbraw/zinc/70/61/79/672706179.db2.gz	OVLGCRCRYNTPIQ-UHFFFAOYSA-N	1	0	354.476	1.065	20	30		FDEDRO
C[NH+]=C(NCc1ccc2c(c1)COC2)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261984738	672706927	/nfs/dbraw/zinc/70/69/27/672706927.db2.gz	PSQMMIULNYHRJX-UHFFFAOYSA-N	1	0	351.472	1.301	20	30		FDEDRO
CC[NH+]=C(NC[C@@H](O)c1ccc(F)cc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000262000405	672709795	/nfs/dbraw/zinc/70/97/95/672709795.db2.gz	UGDJYNIYZJLANV-OAHLLOKOSA-N	1	0	371.478	1.334	20	30		FDEDRO
C[NH+]=C(NCCN(C)c1ccccc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000262004139	672710045	/nfs/dbraw/zinc/71/00/45/672710045.db2.gz	VDQDYIOBCYDBQA-UHFFFAOYSA-N	1	0	352.504	1.207	20	30		FDEDRO
[NH2+]=C(NCc1nnc2n1CCC2)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000262174772	672740703	/nfs/dbraw/zinc/74/07/03/672740703.db2.gz	BAMROLUXYDQXQZ-UHFFFAOYSA-N	1	0	359.865	1.515	20	30		FDEDRO
CC(C)C[NH+]=C(NCC(=O)N(C)C)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2	ZINC000262271562	672759377	/nfs/dbraw/zinc/75/93/77/672759377.db2.gz	GWWSRCZUBNQPOV-UAGQMJEPSA-N	1	0	350.507	1.614	20	30		FDEDRO
C[NH+]=C(NCC(=O)N(C)C)NCc1nc(-c2ccc(Cl)cc2)no1	ZINC000262315123	672767686	/nfs/dbraw/zinc/76/76/86/672767686.db2.gz	QNPMVTGCVRAATC-UHFFFAOYSA-N	1	0	350.810	1.143	20	30		FDEDRO
CC[NH+]=C(NC[C@]1(O)CCSC1)N(C)Cc1ccc2c(c1)OCO2	ZINC000262332661	672771863	/nfs/dbraw/zinc/77/18/63/672771863.db2.gz	BGQGDKAIMTTZAQ-QGZVFWFLSA-N	1	0	351.472	1.681	20	30		FDEDRO
C[C@H](NC(N[C@@H]1CCC(=O)N(C)C1)=[NH+]CC(=O)N(C)C)c1cccs1	ZINC000262337087	672772802	/nfs/dbraw/zinc/77/28/02/672772802.db2.gz	WKANRMRMGQKFMK-QWHCGFSZSA-N	1	0	365.503	1.053	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@@H]1CCN(c2ncccc2Cl)C1)=[NH+]C1CC1	ZINC000262339252	672773118	/nfs/dbraw/zinc/77/31/18/672773118.db2.gz	WQWHGJMXQNKGCJ-CYBMUJFWSA-N	1	0	364.881	1.100	20	30		FDEDRO
C=CC[NH+]=C(NCC(=O)N(C)C)N[C@H]1CCOC2(CCSCC2)C1	ZINC000262345442	672774107	/nfs/dbraw/zinc/77/41/07/672774107.db2.gz	XTFHMVWPWSDNPZ-AWEZNQCLSA-N	1	0	354.520	1.241	20	30		FDEDRO
CC[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N[C@H]1CCOc2ccc(F)cc21	ZINC000262349911	672774839	/nfs/dbraw/zinc/77/48/39/672774839.db2.gz	FALBGYPBDSMVMM-DOMZBBRYSA-N	1	0	369.462	1.639	20	30		FDEDRO
CN(Cc1cnn(C)c1)C(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CCCC1	ZINC000262374488	672778841	/nfs/dbraw/zinc/77/88/41/672778841.db2.gz	JFIMZTFKSNCPAM-CQSZACIVSA-N	1	0	367.519	1.175	20	30		FDEDRO
C=C(C)CNC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+][C@H]1CCOC(C)(C)C1	ZINC000262410598	672785245	/nfs/dbraw/zinc/78/52/45/672785245.db2.gz	PEZKQXPXUPJPCB-GJZGRUSLSA-N	1	0	357.520	1.490	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N[C@@H]1CCOc2ccccc21	ZINC000262452278	672791907	/nfs/dbraw/zinc/79/19/07/672791907.db2.gz	WFLISVMXUWOFQY-GDBMZVCRSA-N	1	0	365.499	1.889	20	30		FDEDRO
C[NH+]=C(NCc1nc(C(F)(F)F)cs1)NCc1nnc2n1CCC2	ZINC000262526123	672803336	/nfs/dbraw/zinc/80/33/36/672803336.db2.gz	GMDRHWGZIVLLEU-UHFFFAOYSA-N	1	0	359.381	1.565	20	30		FDEDRO
C[NH+]=C(NCc1nncn1C)N(C)Cc1ccc(Br)cc1	ZINC000262587221	672811911	/nfs/dbraw/zinc/81/19/11/672811911.db2.gz	SZOJAJJBQUUBPK-UHFFFAOYSA-N	1	0	351.252	1.785	20	30		FDEDRO
C#CCNC(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)=[NH+]CC	ZINC000262634963	672822381	/nfs/dbraw/zinc/82/23/81/672822381.db2.gz	MLPGJOVOBMZZMM-UHFFFAOYSA-N	1	0	362.499	1.550	20	30		FDEDRO
C=C(C)CNC(=[NH2+])NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1	ZINC000264074730	672900105	/nfs/dbraw/zinc/90/01/05/672900105.db2.gz	FJDBRYXFSCXPBS-HNNXBMFYSA-N	1	0	366.487	1.124	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCCc1ccccc1C(F)(F)F	ZINC000264086265	672900611	/nfs/dbraw/zinc/90/06/11/672900611.db2.gz	JKKWWOVMWNMKGB-UHFFFAOYSA-N	1	0	358.408	1.875	20	30		FDEDRO
CCOc1ccc(CNC(=[NH2+])NCCCN2CCOCC2)cc1OC	ZINC000264119517	672902030	/nfs/dbraw/zinc/90/20/30/672902030.db2.gz	ULLUNOWVFOIFIL-UHFFFAOYSA-N	1	0	350.463	1.221	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)CC1	ZINC000264206376	672903994	/nfs/dbraw/zinc/90/39/94/672903994.db2.gz	VRZCRDFJAZWQRB-AWEZNQCLSA-N	1	0	363.483	1.199	20	30		FDEDRO
C#CCSCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000267092808	673249184	/nfs/dbraw/zinc/24/91/84/673249184.db2.gz	UWVYXJXINXOHRF-MSOLQXFVSA-N	1	0	361.511	1.535	20	30		FDEDRO
C[C@@]1(CNC(=[NH2+])NCCCN2CCOCC2)OCCc2sccc21	ZINC000290629207	676219240	/nfs/dbraw/zinc/21/92/40/676219240.db2.gz	LCMNWLVPOLINAS-KRWDZBQOSA-N	1	0	352.504	1.163	20	30		FDEDRO
CC1(C)C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@@H]1O	ZINC000279823081	675351765	/nfs/dbraw/zinc/35/17/65/675351765.db2.gz	QOOVZNRZRVFUAZ-HNNXBMFYSA-N	1	0	354.372	1.876	20	30		FDEDRO
C=C(C)CS(=O)(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000280558450	675435106	/nfs/dbraw/zinc/43/51/06/675435106.db2.gz	KBFXGETWGRNKKR-KRWDZBQOSA-N	1	0	365.499	1.379	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](CC[NH3+])C2)c1	ZINC000282055130	675591584	/nfs/dbraw/zinc/59/15/84/675591584.db2.gz	VRPGLNYIVIXARX-CQSZACIVSA-N	1	0	351.472	1.352	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](CC[NH3+])C2)cc1	ZINC000282104304	675599077	/nfs/dbraw/zinc/59/90/77/675599077.db2.gz	ZRIVLPNGJKXPOV-AWEZNQCLSA-N	1	0	351.472	1.352	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000282810901	675642184	/nfs/dbraw/zinc/64/21/84/675642184.db2.gz	ZDXNIELAQIBGJG-RDJZCZTQSA-N	1	0	350.488	1.577	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000282814501	675642709	/nfs/dbraw/zinc/64/27/09/675642709.db2.gz	LDRHNVFKEVFNOD-NVXWUHKLSA-N	1	0	350.488	1.577	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2ccc(F)cc2F)CC1	ZINC000283633715	675659340	/nfs/dbraw/zinc/65/93/40/675659340.db2.gz	YFHCGVIZTOXUOF-GFCCVEGCSA-N	1	0	351.397	1.909	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CCO[C@@H](C)C1)C(C)C	ZINC000284084830	675671376	/nfs/dbraw/zinc/67/13/76/675671376.db2.gz	OSDMLAVSYHCNMA-GVDBMIGSSA-N	1	0	351.491	1.485	20	30		FDEDRO
C#CCNC(=O)CC[N@@H+](CCO)Cc1cc(Br)ccc1F	ZINC000293223669	676338639	/nfs/dbraw/zinc/33/86/39/676338639.db2.gz	VRJXPOYYOPBCDA-UHFFFAOYSA-N	1	0	357.223	1.522	20	30		FDEDRO
COC(=O)C1CC[NH+](CCCNS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000298510896	676470796	/nfs/dbraw/zinc/47/07/96/676470796.db2.gz	WLBHWLYRTITUKS-UHFFFAOYSA-N	1	0	365.455	1.112	20	30		FDEDRO
C[NH+]=C(NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)NC1CC1	ZINC000303412384	676542565	/nfs/dbraw/zinc/54/25/65/676542565.db2.gz	YBUMCBYGRHBACL-CQSZACIVSA-N	1	0	364.515	1.935	20	30		FDEDRO
CN(C)C(NCCc1ccc(S(N)(=O)=O)cc1)=[NH+]Cc1ccccc1	ZINC000303691894	676542627	/nfs/dbraw/zinc/54/26/27/676542627.db2.gz	AYCAEPATEDOCRD-UHFFFAOYSA-N	1	0	360.483	1.584	20	30		FDEDRO
COc1ccc(OC)c(NC(=[NH2+])NC[C@H](C(C)C)N2CCOCC2)c1	ZINC000303776941	676542713	/nfs/dbraw/zinc/54/27/13/676542713.db2.gz	ICMYUPHRXHWYMX-MRXNPFEDSA-N	1	0	350.463	1.787	20	30		FDEDRO
CSc1nnc(CCCNC(=[NH2+])N2CCSCC2)n1CC(C)C	ZINC000303882601	676543461	/nfs/dbraw/zinc/54/34/61/676543461.db2.gz	LPMLUPVZODDEKB-UHFFFAOYSA-N	1	0	356.565	1.952	20	30		FDEDRO
[NH2+]=C(NC[C@H](O)COc1ccc(C(F)(F)F)cc1)N1CCSCC1	ZINC000303878103	676543542	/nfs/dbraw/zinc/54/35/42/676543542.db2.gz	JAANFFSWYZWCAO-LBPRGKRZSA-N	1	0	363.405	1.809	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NCCCc1nnc(SC)n1C1CCCC1	ZINC000303905099	676543673	/nfs/dbraw/zinc/54/36/73/676543673.db2.gz	VIWCDXKRUXBTII-LBPRGKRZSA-N	1	0	354.524	1.987	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1cc(Br)ccc1F	ZINC000303895006	676543768	/nfs/dbraw/zinc/54/37/68/676543768.db2.gz	PHTHFGNKZDCVGY-UHFFFAOYSA-N	1	0	373.270	1.585	20	30		FDEDRO
CC[C@H](CNC(=[NH2+])NCCCN1CCOCC1)Oc1ccccc1F	ZINC000304747808	676544422	/nfs/dbraw/zinc/54/44/22/676544422.db2.gz	VXIWECUGMUXLOB-OAHLLOKOSA-N	1	0	352.454	1.610	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCc2ncc(CC)s2)CC1	ZINC000304782196	676544522	/nfs/dbraw/zinc/54/45/22/676544522.db2.gz	GQHQCNJXSQETQF-UHFFFAOYSA-N	1	0	353.492	1.773	20	30		FDEDRO
COC[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[C@H]1CCCO1	ZINC000328641538	676600461	/nfs/dbraw/zinc/60/04/61/676600461.db2.gz	FPIBNNWJFYXJGS-YESZJQIVSA-N	1	0	355.479	1.139	20	30		FDEDRO
Cc1cc(C)c(CNC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c(=O)[nH]1	ZINC000328656325	676601026	/nfs/dbraw/zinc/60/10/26/676601026.db2.gz	NQRFSBKWSLFGSC-HNNXBMFYSA-N	1	0	350.463	1.764	20	30		FDEDRO
CNS(=O)(=O)c1cccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1	ZINC000328658975	676601057	/nfs/dbraw/zinc/60/10/57/676601057.db2.gz	RYNMGJICVYOLLY-LSDHHAIUSA-N	1	0	352.460	1.357	20	30		FDEDRO
COC[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@@H]1CCCO1	ZINC000328670080	676601751	/nfs/dbraw/zinc/60/17/51/676601751.db2.gz	FPIBNNWJFYXJGS-IKGGRYGDSA-N	1	0	355.479	1.139	20	30		FDEDRO
Cc1nnc([C@@H](C)NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)s1	ZINC000328669861	676601765	/nfs/dbraw/zinc/60/17/65/676601765.db2.gz	MHYPNYXMKWSISE-OCCSQVGLSA-N	1	0	353.492	1.866	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)CCCC1	ZINC000328678595	676601916	/nfs/dbraw/zinc/60/19/16/676601916.db2.gz	BGQNGQALPRMJED-HOTGVXAUSA-N	1	0	353.507	1.932	20	30		FDEDRO
NS(=O)(=O)C[C@@H]1CCCN1C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1	ZINC000328685745	676602191	/nfs/dbraw/zinc/60/21/91/676602191.db2.gz	XSFALSYEDPTBJY-CVEARBPZSA-N	1	0	372.535	1.450	20	30		FDEDRO
NC(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)O1	ZINC000328743742	676604896	/nfs/dbraw/zinc/60/48/96/676604896.db2.gz	ONNAQZKPYRYLOB-ILXRZTDVSA-N	1	0	354.451	1.027	20	30		FDEDRO
CC1(C)NC(=O)CC[C@@H]1NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000328759036	676605536	/nfs/dbraw/zinc/60/55/36/676605536.db2.gz	WLHMHAGIDRTADD-ZFWWWQNUSA-N	1	0	352.479	1.888	20	30		FDEDRO
CCS(=O)(=O)N1CCC(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1	ZINC000328828280	676608629	/nfs/dbraw/zinc/60/86/29/676608629.db2.gz	TUKCLSYMRBPNTB-INIZCTEOSA-N	1	0	372.535	1.275	20	30		FDEDRO
C[C@@H]1CN(C(C)(C)CNC(=O)CCN2CCCS2(=O)=O)C[C@H](C)O1	ZINC000328912260	676611908	/nfs/dbraw/zinc/61/19/08/676611908.db2.gz	OVKOMKXPBDVCEU-OKILXGFUSA-N	1	0	361.508	1.256	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)N[C@H](c2nc(C)no2)C2CCOCC2)CC1	ZINC000328940943	676613024	/nfs/dbraw/zinc/61/30/24/676613024.db2.gz	FEKCNEJGTXAUBJ-HNNXBMFYSA-N	1	0	351.451	1.834	20	30		FDEDRO
CO[C@H]1C[C@@H](CO)N(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1	ZINC000329079704	676618933	/nfs/dbraw/zinc/61/89/33/676618933.db2.gz	RANHCDBBEJFLDU-HOTGVXAUSA-N	1	0	371.547	1.734	20	30		FDEDRO
CC(=O)N1CCCC[C@H]1C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000329089905	676619295	/nfs/dbraw/zinc/61/92/95/676619295.db2.gz	WIDTURZFTUXONC-SFHVURJKSA-N	1	0	350.507	1.903	20	30		FDEDRO
CN1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCOC4(CCSCC4)C3)C[C@H]21	ZINC000329091542	676619570	/nfs/dbraw/zinc/61/95/70/676619570.db2.gz	WWOMYAXBVFWLOW-BZUAXINKSA-N	1	0	369.531	1.750	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1	ZINC000329351431	676634661	/nfs/dbraw/zinc/63/46/61/676634661.db2.gz	FJCNIIDESAVDBI-HUUCEWRRSA-N	1	0	372.535	1.273	20	30		FDEDRO
CC(C)N1C(=O)C[C@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1=O	ZINC000329382856	676636487	/nfs/dbraw/zinc/63/64/87/676636487.db2.gz	OHKWJIFVENRMOX-KGLIPLIRSA-N	1	0	353.488	1.696	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)O1	ZINC000329391269	676636732	/nfs/dbraw/zinc/63/67/32/676636732.db2.gz	RRUGVBIRHZNJNP-XHSDSOJGSA-N	1	0	352.479	1.096	20	30		FDEDRO
C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000329446656	676639219	/nfs/dbraw/zinc/63/92/19/676639219.db2.gz	NXUMZKPTVHGRRG-FRRDWIJNSA-N	1	0	362.396	1.622	20	30		FDEDRO
O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCOC[C@@H]1CC(F)F	ZINC000329460500	676639736	/nfs/dbraw/zinc/63/97/36/676639736.db2.gz	SDAFVZJFTGRIFX-AWEZNQCLSA-N	1	0	361.433	1.901	20	30		FDEDRO
C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000329548536	676643602	/nfs/dbraw/zinc/64/36/02/676643602.db2.gz	CGGYOIGHKNAOOK-HUUCEWRRSA-N	1	0	373.519	1.053	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)C1	ZINC000329579126	676644950	/nfs/dbraw/zinc/64/49/50/676644950.db2.gz	UCOLCEQTVZFPKP-XMTFNYHQSA-N	1	0	353.507	1.740	20	30		FDEDRO
C[C@@H]1CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C[C@@H](C)S1(=O)=O	ZINC000329634735	676647088	/nfs/dbraw/zinc/64/70/88/676647088.db2.gz	XIHSTVPXISSNJQ-ZIAGYGMSSA-N	1	0	357.520	1.815	20	30		FDEDRO
C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1	ZINC000329757205	676653088	/nfs/dbraw/zinc/65/30/88/676653088.db2.gz	ZFUIPVYBBQUWNH-KDEOKCCVSA-N	1	0	352.479	1.839	20	30		FDEDRO
C[C@H](NC(=O)N1CCS(=O)(=O)[C@H](C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000329773001	676654980	/nfs/dbraw/zinc/65/49/80/676654980.db2.gz	LDFNSIBSBLUWPY-QLFBSQMISA-N	1	0	357.520	1.672	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1	ZINC000329816067	676658702	/nfs/dbraw/zinc/65/87/02/676658702.db2.gz	VSKYSCKXSIEMMU-LJIGWXMPSA-N	1	0	352.523	1.861	20	30		FDEDRO
O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)N1CC[C@H](CCO)C1	ZINC000329840596	676660171	/nfs/dbraw/zinc/66/01/71/676660171.db2.gz	WJUYVKAGGLELPE-QGZVFWFLSA-N	1	0	353.507	1.887	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2C[C@H](F)CN2c2cccnn2)C1	ZINC000329908460	676663498	/nfs/dbraw/zinc/66/34/98/676663498.db2.gz	LSTCNWPSPPFLAZ-KKUMJFAQSA-N	1	0	350.442	1.381	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)N2CCC(CS(C)(=O)=O)CC2)CCSC1	ZINC000330162118	676676186	/nfs/dbraw/zinc/67/61/86/676676186.db2.gz	AECGUMMAHWDVIT-HNNXBMFYSA-N	1	0	363.549	1.094	20	30		FDEDRO
C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)N[C@H]1CCOC2(CCOCC2)C1	ZINC000330217324	676679415	/nfs/dbraw/zinc/67/94/15/676679415.db2.gz	NSMCMPHRIXUVJR-OWCLPIDISA-N	1	0	355.479	1.016	20	30		FDEDRO
C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)CC1=O	ZINC000330237807	676680060	/nfs/dbraw/zinc/68/00/60/676680060.db2.gz	HRWUXXULOKPUMK-CKEIUWERSA-N	1	0	355.504	1.408	20	30		FDEDRO
Cc1nnsc1CNC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1	ZINC000330256506	676681512	/nfs/dbraw/zinc/68/15/12/676681512.db2.gz	KRNFWQDMMQARRS-UHFFFAOYSA-N	1	0	366.535	1.751	20	30		FDEDRO
Cc1cnc(C2CCN(C(=O)NC[C@H]3C[N@@H+](C)CCN3C)CC2)s1	ZINC000330329317	676684202	/nfs/dbraw/zinc/68/42/02/676684202.db2.gz	MKRHHUKITNSENR-HNNXBMFYSA-N	1	0	351.520	1.791	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1	ZINC000330370858	676685677	/nfs/dbraw/zinc/68/56/77/676685677.db2.gz	GUGXXSNWGSOACZ-VYDXJSESSA-N	1	0	350.488	1.748	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CN2CCOCC2)C1	ZINC000330371616	676685896	/nfs/dbraw/zinc/68/58/96/676685896.db2.gz	ALOYOQKSRDUPMX-LNLFQRSKSA-N	1	0	350.507	1.474	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N1CC[NH+](C2CCCCC2)CC1	ZINC000330381254	676687444	/nfs/dbraw/zinc/68/74/44/676687444.db2.gz	VSSAOGBRJIQSJE-UHFFFAOYSA-N	1	0	358.508	1.044	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1	ZINC000330382022	676687705	/nfs/dbraw/zinc/68/77/05/676687705.db2.gz	IUHCGVITCLIDQO-NVXWUHKLSA-N	1	0	356.536	1.957	20	30		FDEDRO
C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CCC[C@@H](c2ccnn2C)C1	ZINC000330466489	676691997	/nfs/dbraw/zinc/69/19/97/676691997.db2.gz	XFIOVNDPUVICPS-GHMZBOCLSA-N	1	0	361.368	1.581	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(S(N)(=O)=O)nc2)C1	ZINC000330545729	676696153	/nfs/dbraw/zinc/69/61/53/676696153.db2.gz	YRXJQBJAVMXZNS-ZDUSSCGKSA-N	1	0	354.476	1.402	20	30		FDEDRO
C[NH+](C)CC1(CNC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)CCCC1	ZINC000330854804	676706731	/nfs/dbraw/zinc/70/67/31/676706731.db2.gz	HKQYADQHMDREMZ-HNNXBMFYSA-N	1	0	374.551	1.284	20	30		FDEDRO
CN(C)S(=O)(=O)c1ccc(C(=O)NCC[N@H+](C)C2CCCCC2)cn1	ZINC000331030971	676714446	/nfs/dbraw/zinc/71/44/46/676714446.db2.gz	ZHXCWHXCIYMDKV-UHFFFAOYSA-N	1	0	368.503	1.901	20	30		FDEDRO
CN(C)S(=O)(=O)c1cccc(C(=O)NC[C@]2([NH+](C)C)CCSC2)c1	ZINC000331097292	676716694	/nfs/dbraw/zinc/71/66/94/676716694.db2.gz	MQLUCSOIMAJKBL-MRXNPFEDSA-N	1	0	371.528	1.679	20	30		FDEDRO
O=C(CC[N@H+]1CCC[C@@](O)(C(F)(F)F)C1)NC(=O)NCC(F)(F)F	ZINC000331225288	676722749	/nfs/dbraw/zinc/72/27/49/676722749.db2.gz	DXJRPYNXDQUGIF-JTQLQIEISA-N	1	0	365.274	1.358	20	30		FDEDRO
CN(C)S(=O)(=O)c1ccccc1NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1	ZINC000331253882	676724117	/nfs/dbraw/zinc/72/41/17/676724117.db2.gz	SDYRUKADWRUOOE-AWEZNQCLSA-N	1	0	368.503	1.756	20	30		FDEDRO
COC(=O)[C@@H]1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[C@@H]1C	ZINC000331275517	676725239	/nfs/dbraw/zinc/72/52/39/676725239.db2.gz	QCZUZEPEKHFFGC-LSDHHAIUSA-N	1	0	354.495	1.057	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H](c2cnn(C)c2)C(F)(F)F)C[C@H]1C	ZINC000331316135	676727056	/nfs/dbraw/zinc/72/70/56/676727056.db2.gz	FLJSTWZUPKQNMD-NTZNESFSSA-N	1	0	363.384	1.324	20	30		FDEDRO
N#CC1(CCC[NH+]2CCC(O)(CN3CCOCC3)CC2)CCOCC1	ZINC000332002927	676736042	/nfs/dbraw/zinc/73/60/42/676736042.db2.gz	NGMLOWWIBPLYDC-UHFFFAOYSA-N	1	0	351.491	1.246	20	30		FDEDRO
COC[C@@]1(CNC(=O)NCCSCc2ccccc2C#N)CCC[NH2+]1	ZINC000416878398	679728004	/nfs/dbraw/zinc/72/80/04/679728004.db2.gz	XCXCOEPCKXHLEK-SFHVURJKSA-N	1	0	362.499	1.859	20	30		FDEDRO
C[C@@H]1C[C@H](CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)CCO1	ZINC000364268985	677003678	/nfs/dbraw/zinc/00/36/78/677003678.db2.gz	YDMNARKMTHZCFH-RBSFLKMASA-N	1	0	352.479	1.682	20	30		FDEDRO
O=C(NCC#Cc1ccccc1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000416946177	679735724	/nfs/dbraw/zinc/73/57/24/679735724.db2.gz	NSMSXEMQXRBQEG-HNNXBMFYSA-N	1	0	354.376	1.173	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Cc2csc(N3CCCNC3=O)n2)CC1	ZINC000365201056	677355542	/nfs/dbraw/zinc/35/55/42/677355542.db2.gz	HQEDNMUUVBCERP-UHFFFAOYSA-N	1	0	363.487	1.372	20	30		FDEDRO
Cn1cc(CN2CCC[C@H](NS(=O)(=O)c3ccccc3)C2)cc1C#N	ZINC000365269550	677355936	/nfs/dbraw/zinc/35/59/36/677355936.db2.gz	RQZRJUPGWWGXLQ-INIZCTEOSA-N	1	0	358.467	1.840	20	30		FDEDRO
C#CCCCS(=O)(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000367873357	677496450	/nfs/dbraw/zinc/49/64/50/677496450.db2.gz	JFERZDBMJVDLIW-GOSISDBHSA-N	1	0	350.484	1.610	20	30		FDEDRO
O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1C[N@@H+]2CCN1CCC2	ZINC000368573745	677500534	/nfs/dbraw/zinc/50/05/34/677500534.db2.gz	UQBVZEHZSONQHA-INIZCTEOSA-N	1	0	351.372	1.563	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H](N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1=O	ZINC000370226962	677554313	/nfs/dbraw/zinc/55/43/13/677554313.db2.gz	FZSNVIURIKJDPP-OWCLPIDISA-N	1	0	360.483	1.256	20	30		FDEDRO
N#Cc1ccc(N2CC[NH+](C[C@@H](O)COCc3cccs3)CC2)cn1	ZINC000370623406	677599284	/nfs/dbraw/zinc/59/92/84/677599284.db2.gz	YGIUEAPKJGUJOH-QGZVFWFLSA-N	1	0	358.467	1.714	20	30		FDEDRO
N#CC1(NC(=O)CNCC(F)(F)F)CC[NH+](Cc2ccccc2)CC1	ZINC000371527378	677718653	/nfs/dbraw/zinc/71/86/53/677718653.db2.gz	HOJSKSKBTAACOX-UHFFFAOYSA-N	1	0	354.376	1.813	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H]([NH+]2CCCCCC2)C1	ZINC000371685228	677757408	/nfs/dbraw/zinc/75/74/08/677757408.db2.gz	KETFFJMLEOTPBK-MRXNPFEDSA-N	1	0	357.520	1.637	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@H](C(=O)Nc2nccs2)C1	ZINC000373920955	678068660	/nfs/dbraw/zinc/06/86/60/678068660.db2.gz	JQVDRKYLDRTMJQ-NEPJUHHUSA-N	1	0	365.459	1.194	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC([NH+]2C[C@@H](C)C[C@H](C)C2)CC1	ZINC000374458004	678082555	/nfs/dbraw/zinc/08/25/55/678082555.db2.gz	XTUPWPTYRWDSHC-HRCADAONSA-N	1	0	356.536	1.765	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC([N@H+]2C[C@H](C)C[C@H](C)C2)CC1	ZINC000374458009	678082573	/nfs/dbraw/zinc/08/25/73/678082573.db2.gz	XTUPWPTYRWDSHC-XHSDSOJGSA-N	1	0	356.536	1.765	20	30		FDEDRO
C=CCOc1cccc(CN2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)c1	ZINC000375451284	678101605	/nfs/dbraw/zinc/10/16/05/678101605.db2.gz	QHKDDVUPVWJSIV-SFHVURJKSA-N	1	0	364.511	1.993	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[N@H+](CC2CCCCC2)CC1	ZINC000375585879	678153860	/nfs/dbraw/zinc/15/38/60/678153860.db2.gz	SEDSDGHFAJYBPG-MRXNPFEDSA-N	1	0	356.536	1.911	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1	ZINC000423024769	680772674	/nfs/dbraw/zinc/77/26/74/680772674.db2.gz	MNPVXBOBDNSBAD-GFCCVEGCSA-N	1	0	371.890	1.492	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2C[C@@H](OC)C[C@H]2CC(=O)OCC)CC1	ZINC000376922318	678405384	/nfs/dbraw/zinc/40/53/84/678405384.db2.gz	JAEIYOMIUYJOJI-HOTGVXAUSA-N	1	0	353.463	1.389	20	30		FDEDRO
CS(=O)(=O)N1CCC(C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)CC1	ZINC000378459701	678748860	/nfs/dbraw/zinc/74/88/60/678748860.db2.gz	GWZLEVXATFTXMK-HZMVEIRTSA-N	1	0	355.504	1.487	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](Cc1ccccc1)[NH+](C)C	ZINC000409558950	678859411	/nfs/dbraw/zinc/85/94/11/678859411.db2.gz	WUKCCYSTRBPYCZ-WBVHZDCISA-N	1	0	352.504	1.475	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C)o1	ZINC000409584771	678862990	/nfs/dbraw/zinc/86/29/90/678862990.db2.gz	YFPPRHCTWCPEAK-AWEZNQCLSA-N	1	0	356.492	1.678	20	30		FDEDRO
CC[NH+](CC)CCOC1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1	ZINC000410147947	678885819	/nfs/dbraw/zinc/88/58/19/678885819.db2.gz	ATQGRXIIHVAHAT-OAHLLOKOSA-N	1	0	360.524	1.145	20	30		FDEDRO
C[C@@H]1CN(Cc2csc(NC(=O)[C@H]([NH3+])CCCC#N)n2)C[C@@H](C)O1	ZINC000424132537	680830393	/nfs/dbraw/zinc/83/03/93/680830393.db2.gz	KVPVNYBFFIZRBS-YRGRVCCFSA-N	1	0	351.476	1.712	20	30		FDEDRO
Cc1cc2c(ncnc2N2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)s1	ZINC000424172642	680831365	/nfs/dbraw/zinc/83/13/65/680831365.db2.gz	NNMIQYXQGGNJAU-CQSZACIVSA-N	1	0	358.471	1.670	20	30		FDEDRO
Cc1ccc(-c2nc([C@H]([NH3+])CC(C)C)no2)cc1S(=O)(=O)NCC#N	ZINC000414625416	679361291	/nfs/dbraw/zinc/36/12/91/679361291.db2.gz	WRZSVEXWMDFTER-CYBMUJFWSA-N	1	0	363.443	1.893	20	30		FDEDRO
Cc1ccc(-c2nc([C@@H]([NH3+])CC(C)C)no2)cc1S(=O)(=O)NCC#N	ZINC000414625418	679361295	/nfs/dbraw/zinc/36/12/95/679361295.db2.gz	WRZSVEXWMDFTER-ZDUSSCGKSA-N	1	0	363.443	1.893	20	30		FDEDRO
C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000415329586	679409104	/nfs/dbraw/zinc/40/91/04/679409104.db2.gz	DKZAGNPYVMBOLY-SECBINFHSA-N	1	0	351.204	1.080	20	30		FDEDRO
CC(C)[C@H]1CCc2c(C#N)c(NC(=O)C(=O)N3CC[C@H]([NH3+])C3)sc2C1	ZINC000415360596	679414290	/nfs/dbraw/zinc/41/42/90/679414290.db2.gz	XXWJFXCQYGOXQN-RYUDHWBXSA-N	1	0	360.483	1.879	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC[C@@H]1[NH3+]	ZINC000415433243	679430139	/nfs/dbraw/zinc/43/01/39/679430139.db2.gz	AELMIKYYCKMISB-ONGXEEELSA-N	1	0	352.341	1.294	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)N[C@H](C)[C@H](C)[NH3+])c(C#N)cn1CCOC	ZINC000415496711	679440030	/nfs/dbraw/zinc/44/00/30/679440030.db2.gz	SGJRFDXBJMAKAB-WDEREUQCSA-N	1	0	351.407	1.040	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C)CC[NH3+]	ZINC000415550972	679449692	/nfs/dbraw/zinc/44/96/92/679449692.db2.gz	KLHMAWIYDLWJKE-JTQLQIEISA-N	1	0	370.247	1.806	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)[C@@H](C)C[NH2+]1	ZINC000415554535	679450478	/nfs/dbraw/zinc/45/04/78/679450478.db2.gz	HDXXWGLZSHMAHO-UWVGGRQHSA-N	1	0	352.341	1.307	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)C(=O)NCCCC[NH3+]	ZINC000415558734	679451533	/nfs/dbraw/zinc/45/15/33/679451533.db2.gz	FNZPUXOXERPGHH-UHFFFAOYSA-N	1	0	370.247	1.808	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC2(C)CC[NH2+]CC2)cc1	ZINC000415599494	679462034	/nfs/dbraw/zinc/46/20/34/679462034.db2.gz	MQVNVCHNFUSHNV-ZDUSSCGKSA-N	1	0	364.471	1.884	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C)C[NH3+]	ZINC000415648057	679471234	/nfs/dbraw/zinc/47/12/34/679471234.db2.gz	FYTXTLQAJSHTFK-VIFPVBQESA-N	1	0	356.220	1.416	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1	ZINC000415679341	679477938	/nfs/dbraw/zinc/47/79/38/679477938.db2.gz	YKOJSMAEEATPRA-MCIONIFRSA-N	1	0	358.467	1.555	20	30		FDEDRO
CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(=O)N(C)C3C[NH2+]C3)sc2C1	ZINC000415736521	679489146	/nfs/dbraw/zinc/48/91/46/679489146.db2.gz	OBUVYZGHPDWQKP-LLVKDONJSA-N	1	0	360.483	1.749	20	30		FDEDRO
N#CCCSc1ccccc1NC(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1	ZINC000415756195	679493784	/nfs/dbraw/zinc/49/37/84/679493784.db2.gz	AVANEGOAXTYJBF-UONOGXRCSA-N	1	0	358.467	1.841	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)ccc1Cl	ZINC000415768207	679496038	/nfs/dbraw/zinc/49/60/38/679496038.db2.gz	VKNWCSDSIMKYGB-ZDUSSCGKSA-N	1	0	360.845	1.998	20	30		FDEDRO
CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000415793562	679503566	/nfs/dbraw/zinc/50/35/66/679503566.db2.gz	VGTJKAJRGLJJJN-SNVBAGLBSA-N	1	0	358.320	1.291	20	30		FDEDRO
CN(C(=O)C(=O)NCCSCc1ccccc1C#N)C1CC[NH2+]CC1	ZINC000418920963	680153514	/nfs/dbraw/zinc/15/35/14/680153514.db2.gz	LFIZZEQIKUKNBK-UHFFFAOYSA-N	1	0	360.483	1.118	20	30		FDEDRO
C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCCSCc1ccccc1C#N	ZINC000418923857	680154401	/nfs/dbraw/zinc/15/44/01/680154401.db2.gz	OMTQYDRGUDUGPO-BBRMVZONSA-N	1	0	360.483	1.164	20	30		FDEDRO
O=C(NCC#Cc1cccc(C(F)(F)F)c1)C(=O)NC[C@@H]1CCC[NH2+]1	ZINC000419107085	680191506	/nfs/dbraw/zinc/19/15/06/680191506.db2.gz	DQPZIFMBDLSOCI-AWEZNQCLSA-N	1	0	353.344	1.041	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C	ZINC000425864305	680937234	/nfs/dbraw/zinc/93/72/34/680937234.db2.gz	BGMHLZWIAXPCOT-ULQDDVLXSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CC[N@@H+](C)CCN(CC)Cc1nnc2n1c1ccsc1c(=O)n2C	ZINC000429714133	681045594	/nfs/dbraw/zinc/04/55/94/681045594.db2.gz	KFZGDNCMHMCCHW-UHFFFAOYSA-N	1	0	360.487	1.582	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)C1CC[NH+](CCC)CC1	ZINC000430374606	681073642	/nfs/dbraw/zinc/07/36/42/681073642.db2.gz	APIVCTHXEDAKLJ-RDJZCZTQSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1	ZINC000430374361	681073698	/nfs/dbraw/zinc/07/36/98/681073698.db2.gz	HLSRMGVJHYLABV-ULQDDVLXSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C	ZINC000430401650	681075325	/nfs/dbraw/zinc/07/53/25/681075325.db2.gz	CLRZBSYOEKUUOD-NXOAAHMSSA-N	1	0	351.491	1.463	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2cccc(Cl)c2C#N)CCCO1	ZINC000432322819	681152413	/nfs/dbraw/zinc/15/24/13/681152413.db2.gz	AGGPIFYUDKZTLK-CYBMUJFWSA-N	1	0	371.890	1.991	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNS(=O)(=O)Cc2cc(C#N)ccc2F)CCCO1	ZINC000432331156	681153132	/nfs/dbraw/zinc/15/31/32/681153132.db2.gz	JNEYPRSBLLXQTQ-AWEZNQCLSA-N	1	0	369.462	1.618	20	30		FDEDRO
C[NH+](C)C[C@@](C)(O)CNC(=O)COc1cccc(Br)c1C#N	ZINC000450206065	682744197	/nfs/dbraw/zinc/74/41/97/682744197.db2.gz	SDFWAWBDOMTKNT-HNNXBMFYSA-N	1	0	370.247	1.128	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@](CO)(COC)C1	ZINC000451936743	682974461	/nfs/dbraw/zinc/97/44/61/682974461.db2.gz	UAFKALGJABMTDK-QAPCUYQASA-N	1	0	352.500	1.982	20	30		FDEDRO
C[C@H]1C[C@@H](O)C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000452071242	683016270	/nfs/dbraw/zinc/01/62/70/683016270.db2.gz	TWNYAXIOIRIWRO-XJKSGUPXSA-N	1	0	354.372	1.876	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1)[N@@H+]1CCCC[C@H]1C	ZINC000453597974	683168097	/nfs/dbraw/zinc/16/80/97/683168097.db2.gz	KZRJTPFTBBOVMB-NEPJUHHUSA-N	1	0	363.849	1.924	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1	ZINC000475751379	685635847	/nfs/dbraw/zinc/63/58/47/685635847.db2.gz	TUVJRDVEKFEGGO-WBVHZDCISA-N	1	0	368.499	1.155	20	30		FDEDRO
C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)C1	ZINC000453682182	683184789	/nfs/dbraw/zinc/18/47/89/683184789.db2.gz	AILSOIRSVGOKBG-KRWDZBQOSA-N	1	0	364.471	1.039	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1	ZINC000459043156	684360645	/nfs/dbraw/zinc/36/06/45/684360645.db2.gz	OLQNFWAIQZEDKP-MHORFTMASA-N	1	0	350.507	1.387	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1	ZINC000472349603	685199847	/nfs/dbraw/zinc/19/98/47/685199847.db2.gz	RXGBOZYHWCRSRS-MSOLQXFVSA-N	1	0	364.515	1.749	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1	ZINC000472349606	685200368	/nfs/dbraw/zinc/20/03/68/685200368.db2.gz	RXGBOZYHWCRSRS-ZWKOTPCHSA-N	1	0	364.515	1.749	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N(CC)CCC[NH+](C)C)c1	ZINC000472631821	685228523	/nfs/dbraw/zinc/22/85/23/685228523.db2.gz	OLXVVGUELFCJRA-UHFFFAOYSA-N	1	0	353.488	1.565	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(C(=O)NC(C)(C)C)CC2)CC1	ZINC000477047927	685810694	/nfs/dbraw/zinc/81/06/94/685810694.db2.gz	JLXBEOTYTPGLMO-UHFFFAOYSA-N	1	0	351.495	1.472	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]([C@H](C)CO)C2CCCC2)CC1	ZINC000477637125	685869261	/nfs/dbraw/zinc/86/92/61/685869261.db2.gz	NWKKGQPVSBWKGP-AEFFLSMTSA-N	1	0	350.507	1.304	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN(C(C)=O)C[C@@H]1C)C(C)C	ZINC000479453222	686023255	/nfs/dbraw/zinc/02/32/55/686023255.db2.gz	JDRORTPFRFOUBH-FUHWJXTLSA-N	1	0	350.507	1.947	20	30		FDEDRO
CCCC[N@H+](C)CCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000488962764	687070023	/nfs/dbraw/zinc/07/00/23/687070023.db2.gz	PWBKLFACDVVOBJ-UHFFFAOYSA-N	1	0	366.487	1.340	20	30		FDEDRO
C=CCCCS(=O)(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000489625623	687108743	/nfs/dbraw/zinc/10/87/43/687108743.db2.gz	JSHWLFFEKRFPLH-GOSISDBHSA-N	1	0	352.500	1.851	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN([C@H]2CC[NH2+]C2)CC1	ZINC000489909138	687121377	/nfs/dbraw/zinc/12/13/77/687121377.db2.gz	STDNMRHAYOXHSB-SJORKVTESA-N	1	0	362.543	1.631	20	30		FDEDRO
COC(=O)[C@@H]1CCCN(CCCC2(C#N)CCOCC2)[C@H]1C(=O)OC	ZINC000499571924	687966759	/nfs/dbraw/zinc/96/67/59/687966759.db2.gz	GKKPEWHTLVXYQB-HUUCEWRRSA-N	1	0	352.431	1.514	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C2CCN(C(=O)[C@@H](C)CSC)CC2)CC1	ZINC000507641862	688658171	/nfs/dbraw/zinc/65/81/71/688658171.db2.gz	CLZKWFMLROFKQS-HNNXBMFYSA-N	1	0	367.559	1.991	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(OCC[NH+]2CCCC2)CC1	ZINC000510321351	689367823	/nfs/dbraw/zinc/36/78/23/689367823.db2.gz	GSSYXFFPKSFTIG-HNNXBMFYSA-N	1	0	358.508	1.042	20	30		FDEDRO
COc1cc(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)ccc1C#N	ZINC000512854304	689643856	/nfs/dbraw/zinc/64/38/56/689643856.db2.gz	ADBGYHFHLWZNMD-CVEARBPZSA-N	1	0	351.472	1.764	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)Cc3ccc(CC#N)cc3)[C@H]2C1	ZINC000516460603	689952005	/nfs/dbraw/zinc/95/20/05/689952005.db2.gz	RZLCBAMKBSRJHE-ZWKOTPCHSA-N	1	0	363.483	1.377	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CCN2c3ccccc3SCC2=O)CC1	ZINC000520991054	690372794	/nfs/dbraw/zinc/37/27/94/690372794.db2.gz	BNXVNLUVUQTESA-UHFFFAOYSA-N	1	0	358.467	1.620	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H](CCSC)NC(=O)c2ccco2)CC1	ZINC000521573533	694408516	/nfs/dbraw/zinc/40/85/16/694408516.db2.gz	BIPNIBDTCRWIPO-HNNXBMFYSA-N	1	0	365.499	1.898	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)c2[nH]nc(C3CC3)c2Br)CC1	ZINC000521859350	694441973	/nfs/dbraw/zinc/44/19/73/694441973.db2.gz	UTMLDJHGTIPSFD-UHFFFAOYSA-N	1	0	352.236	1.767	20	30		FDEDRO
CC(C)C(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1	ZINC000522416055	694482870	/nfs/dbraw/zinc/48/28/70/694482870.db2.gz	UZIKOBMALAUWEG-TXPKVOOTSA-N	1	0	350.507	1.914	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1	ZINC000523660624	694537317	/nfs/dbraw/zinc/53/73/17/694537317.db2.gz	YSIDJEFBOIRFTG-UHFFFAOYSA-N	1	0	363.483	1.978	20	30		FDEDRO
CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)c1cccc(Br)c1C#N	ZINC000528049343	694697332	/nfs/dbraw/zinc/69/73/32/694697332.db2.gz	ORCXBDNIASZFJH-CYBMUJFWSA-N	1	0	372.288	1.939	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1NC1CC[NH+]([C@H]2CCOC2)CC1	ZINC000641449768	696107511	/nfs/dbraw/zinc/10/75/11/696107511.db2.gz	NHRLTRPDIXFBSE-INIZCTEOSA-N	1	0	365.499	1.816	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC000641671542	696195539	/nfs/dbraw/zinc/19/55/39/696195539.db2.gz	XMAXFDMEMXOAHE-INIZCTEOSA-N	1	0	365.499	1.186	20	30		FDEDRO
N#Cc1nc(Cl)ccc1C(F)(F)N1CCCO[C@@]2(C[NH2+]CCOC2)C1	ZINC001164426212	718913496	/nfs/dbraw/zinc/91/34/96/718913496.db2.gz	YGYUQPVZPHKTME-HNNXBMFYSA-N	1	0	372.803	1.737	20	30		FDEDRO
CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1	ZINC001164439107	718985146	/nfs/dbraw/zinc/98/51/46/718985146.db2.gz	BOGHAACSTYZQME-URLYPYJESA-N	1	0	356.760	1.722	20	30		FDEDRO
CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1ccnc(Cl)c1C#N	ZINC001164618180	719013225	/nfs/dbraw/zinc/01/32/25/719013225.db2.gz	QOIBDDSZKYZZCF-JIMOISOXSA-N	1	0	370.787	1.881	20	30		FDEDRO
CCOC(=O)c1cc(C#N)c(Cl)nc1N1C[C@H]2OCC[N@H+](C)[C@@H]2C1	ZINC001164665168	719383747	/nfs/dbraw/zinc/38/37/47/719383747.db2.gz	FQRJGHAIBZVMEK-CHWSQXEVSA-N	1	0	350.806	1.303	20	30		FDEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc3[nH]c(C#N)cc3n1)CC2	ZINC001164690111	719736006	/nfs/dbraw/zinc/73/60/06/719736006.db2.gz	STTLXIHKGQOHJA-UHFFFAOYSA-N	1	0	352.442	1.615	20	30		FDEDRO
CC(C)[N@H+]1[C@@H]2CCN(c3cncc(C#N)n3)C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164841333	720519285	/nfs/dbraw/zinc/51/92/85/720519285.db2.gz	YKKISIGOLDFSKK-RYQLBKOJSA-N	1	0	351.458	1.923	20	30		FDEDRO
N#Cc1cc(F)c(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164740916	720610624	/nfs/dbraw/zinc/61/06/24/720610624.db2.gz	KJEVSCOUOPRSED-CHWSQXEVSA-N	1	0	374.807	1.878	20	30		FDEDRO
N#Cc1ccc2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1	ZINC001164739632	720646098	/nfs/dbraw/zinc/64/60/98/720646098.db2.gz	GHDICYVYHYOSSF-CVEARBPZSA-N	1	0	373.420	1.633	20	30		FDEDRO
COc1nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c(F)cc1C#N	ZINC001164742243	720751137	/nfs/dbraw/zinc/75/11/37/720751137.db2.gz	NTJGJBSBZJXKDS-KBPBESRZSA-N	1	0	370.388	1.233	20	30		FDEDRO
Cc1ccc(CC#N)c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1	ZINC001164740961	720773452	/nfs/dbraw/zinc/77/34/52/720773452.db2.gz	LSYQRBLLLKWBFZ-SJORKVTESA-N	1	0	350.426	1.588	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3ccc(Cl)c(C#N)n3)CC[C@@H]2C1	ZINC001164848768	720837401	/nfs/dbraw/zinc/83/74/01/720837401.db2.gz	AYZFWEQNGQNBOW-CJNGLKHVSA-N	1	0	350.850	1.780	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4ccc(C#N)cc43)CC[C@@H]2C1	ZINC001164852581	720841513	/nfs/dbraw/zinc/84/15/13/720841513.db2.gz	LALJPGXZEJDOCG-VQIMIIECSA-N	1	0	367.453	1.675	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3nc4c(cc3C#N)CCC4)CC[C@H]2C1	ZINC001164863047	720875522	/nfs/dbraw/zinc/87/55/22/720875522.db2.gz	SKJHRJHEXRAQPF-LPHOPBHVSA-N	1	0	356.470	1.615	20	30		FDEDRO
Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(C#N)ccc4[N+](=O)[O-])C[C@@H]3C2)cn1	ZINC001164772743	721127421	/nfs/dbraw/zinc/12/74/21/721127421.db2.gz	VYBMVSFQAKSNCV-GJZGRUSLSA-N	1	0	367.413	1.553	20	30		FDEDRO
N#CCc1cncc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1	ZINC001164869710	721128300	/nfs/dbraw/zinc/12/83/00/721128300.db2.gz	ACPXCEYGMLHORE-MSOLQXFVSA-N	1	0	350.426	1.417	20	30		FDEDRO
CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncc(C#N)cc2C#N)CC1	ZINC001165011516	721733603	/nfs/dbraw/zinc/73/36/03/721733603.db2.gz	PVHLFXSXOBCGBK-UHFFFAOYSA-N	1	0	352.442	1.348	20	30		FDEDRO
CN(C)C(=O)C[NH+]1CCC2(CCCN2c2[nH]ccc3ncc(C#N)c2-3)CC1	ZINC001165009444	721743125	/nfs/dbraw/zinc/74/31/25/721743125.db2.gz	DJRDXVYAMMRYKX-UHFFFAOYSA-N	1	0	366.469	1.958	20	30		FDEDRO
CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ccc(C2(C#N)CCOCC2)cn1	ZINC001164927071	721876267	/nfs/dbraw/zinc/87/62/67/721876267.db2.gz	UNKXFDVYAIREGC-MOPGFXCFSA-N	1	0	369.513	1.868	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)C(C)C	ZINC000176662502	782562631	/nfs/dbraw/zinc/56/26/31/782562631.db2.gz	JVXCFMSAQGOZIC-RDJZCZTQSA-N	1	0	359.474	1.577	20	30		FDEDRO
CCc1cncc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)c1	ZINC001112468493	769020570	/nfs/dbraw/zinc/02/05/70/769020570.db2.gz	MTCUVQOCGMEVDU-PXNSSMCTSA-N	1	0	369.469	1.116	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(C)c(C)n1)C2	ZINC001112470866	769158421	/nfs/dbraw/zinc/15/84/21/769158421.db2.gz	VRDDWNOSCUODRM-UWJYYQICSA-N	1	0	368.481	1.280	20	30		FDEDRO
C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@]1(C)CCc2ccccc2C1	ZINC001211499853	769953383	/nfs/dbraw/zinc/95/33/83/769953383.db2.gz	VACFPMXGWVSBOF-FPDPHYFHSA-N	1	0	368.481	1.258	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCO[C@@H]3C[N@H+](C[C@H]4CCCOC4)C[C@@H]32)c1	ZINC001083188333	769982068	/nfs/dbraw/zinc/98/20/68/769982068.db2.gz	QBCCZEVXSZXAGW-NZSAHSFTSA-N	1	0	355.438	1.015	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnc(C(F)(F)F)nc2)C1	ZINC001022737132	782800308	/nfs/dbraw/zinc/80/03/08/782800308.db2.gz	QLIGPDYSTSHQQB-RQJABVFESA-N	1	0	370.375	1.823	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1OC[C@@H]3CCC[C@@H]31)C2	ZINC001112477886	770135416	/nfs/dbraw/zinc/13/54/16/770135416.db2.gz	MQDPDOSEYMAQFO-HZKQSDJQSA-N	1	0	360.498	1.670	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)c(F)c1	ZINC000969431351	770189405	/nfs/dbraw/zinc/18/94/05/770189405.db2.gz	AVTOFOOGHJSHDW-MJQMVNBJSA-N	1	0	373.428	1.439	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)s1	ZINC000969431968	770191773	/nfs/dbraw/zinc/19/17/73/770191773.db2.gz	QGPYQZIESANSCM-UWWPHRKUSA-N	1	0	361.467	1.362	20	30		FDEDRO
N#Cc1ccc(CNC(=O)CN2CCN(Cc3cccc(O)c3)CC2)cc1	ZINC000471169510	770268103	/nfs/dbraw/zinc/26/81/03/770268103.db2.gz	LXSNBJLONSLLPC-UHFFFAOYSA-N	1	0	364.449	1.698	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000535632262	771284918	/nfs/dbraw/zinc/28/49/18/771284918.db2.gz	POOJWWMUCVENMB-QZTJIDSGSA-N	1	0	352.438	1.510	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1	ZINC001020714875	771287853	/nfs/dbraw/zinc/28/78/53/771287853.db2.gz	ZYPZVWWBJTUGFN-WSRJKRBPSA-N	1	0	363.502	1.511	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1	ZINC000275140501	771361637	/nfs/dbraw/zinc/36/16/37/771361637.db2.gz	VCYAEARMQHLWOM-AWEZNQCLSA-N	1	0	368.359	1.175	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cccn3nnnc23)C[C@H]1C	ZINC001104236290	771461391	/nfs/dbraw/zinc/46/13/91/771461391.db2.gz	SNOWFIDBDZMWQZ-HUUCEWRRSA-N	1	0	358.446	1.015	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cc(C)nc(C)c2)C[C@H]1C	ZINC001104241090	771635040	/nfs/dbraw/zinc/63/50/40/771635040.db2.gz	JYDYIKKWNFDTLZ-ZTFGCOKTSA-N	1	0	370.497	1.524	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)C3(COC)CC3)C[C@H]2C)C1=O	ZINC001104416650	782950257	/nfs/dbraw/zinc/95/02/57/782950257.db2.gz	ZGDFQCRCYWLKSI-ZACQAIPSSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC001167215081	771745160	/nfs/dbraw/zinc/74/51/60/771745160.db2.gz	SRIQRKVPVPJRJQ-KGLIPLIRSA-N	1	0	357.882	1.251	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCCS2(=O)=O)C1	ZINC001104245654	771776547	/nfs/dbraw/zinc/77/65/47/771776547.db2.gz	VAMLTBHABMUSLW-IAGOWNOFSA-N	1	0	371.547	1.452	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCn2nc(C)nc2C)C1	ZINC000970220601	772129727	/nfs/dbraw/zinc/12/97/27/772129727.db2.gz	GAIZRCLGOMUUCY-SQNIBIBYSA-N	1	0	361.490	1.457	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH]cn2)C[C@H]1C	ZINC001104274861	772715883	/nfs/dbraw/zinc/71/58/83/772715883.db2.gz	YKVFPRKPMCPPPF-BZUAXINKSA-N	1	0	361.490	1.107	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(CC#C)CCC2)C[C@H]1C	ZINC001104279763	772755849	/nfs/dbraw/zinc/75/58/49/772755849.db2.gz	OIGRIARRNZTVNZ-KZNAEPCWSA-N	1	0	357.498	1.392	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N3CCCC3)C2)CCC1	ZINC001104279792	772755949	/nfs/dbraw/zinc/75/59/49/772755949.db2.gz	PRDMBZKBEVPRGZ-QZTJIDSGSA-N	1	0	359.514	1.877	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)CC(F)F)C[C@H]1C	ZINC001104281219	772762046	/nfs/dbraw/zinc/76/20/46/772762046.db2.gz	KKXPZSTYVRCTSN-RBSFLKMASA-N	1	0	371.472	1.880	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1)[NH+](C)C	ZINC001021321592	772899878	/nfs/dbraw/zinc/89/98/78/772899878.db2.gz	DILLABJHPDAMCA-UAGQMJEPSA-N	1	0	357.458	1.145	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)CC[N@@H+]1C	ZINC001021324490	772912749	/nfs/dbraw/zinc/91/27/49/772912749.db2.gz	FAEHIIFQUMCYJZ-OWIUFQIYSA-N	1	0	369.469	1.290	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1	ZINC001021325947	772921612	/nfs/dbraw/zinc/92/16/12/772921612.db2.gz	ODZHIKALXGEBMT-USXIJHARSA-N	1	0	355.442	1.044	20	30		FDEDRO
C=CC[C@@H]1N(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CCCC1(C)C	ZINC000683677115	772997831	/nfs/dbraw/zinc/99/78/31/772997831.db2.gz	JTHOVXFDMKUGEZ-INIZCTEOSA-N	1	0	361.490	1.977	20	30		FDEDRO
[NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C(F)(F)F)C(F)(F)F	ZINC000655957769	773051558	/nfs/dbraw/zinc/05/15/58/773051558.db2.gz	FTNKTJKGRHCULK-MRVPVSSYSA-N	1	0	361.217	1.789	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1	ZINC000656027226	773314336	/nfs/dbraw/zinc/31/43/36/773314336.db2.gz	XLYCUPHYJMLYHA-IRXDYDNUSA-N	1	0	351.491	1.594	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCn1ncn(C)c1=O)C2	ZINC001112489297	773364594	/nfs/dbraw/zinc/36/45/94/773364594.db2.gz	WRLNEALQMBOUPK-LPHOPBHVSA-N	1	0	361.490	1.156	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)c4coc(C)c4)[C@@H]3C2)CC1	ZINC001021460089	773433503	/nfs/dbraw/zinc/43/35/03/773433503.db2.gz	JEIMXPFVAUADHX-PKOBYXMFSA-N	1	0	369.465	1.606	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)c3ccn([C@H]4CCC[NH2+]C4)n3)CC2)c1	ZINC000275734766	773447339	/nfs/dbraw/zinc/44/73/39/773447339.db2.gz	UXAAGZOLWZYGCO-INIZCTEOSA-N	1	0	365.441	1.037	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1	ZINC000275735216	773453234	/nfs/dbraw/zinc/45/32/34/773453234.db2.gz	AJZRWZBKJJDUJQ-CYBMUJFWSA-N	1	0	358.442	1.694	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1occ3c1CCC3)C2	ZINC001112492606	773705788	/nfs/dbraw/zinc/70/57/88/773705788.db2.gz	FFRGQBMAUZKSBN-KKSFZXQISA-N	1	0	369.465	1.350	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1COCCN1CCCC)C2	ZINC001112493310	773781454	/nfs/dbraw/zinc/78/14/54/773781454.db2.gz	VPQAKXCOWNZBAZ-ZVDOUQERSA-N	1	0	361.530	1.729	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnnn2C)C1	ZINC001104294051	773876941	/nfs/dbraw/zinc/87/69/41/773876941.db2.gz	TYJXLGWXDRKNHN-HZPDHXFCSA-N	1	0	356.474	1.691	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1	ZINC001022778585	783131420	/nfs/dbraw/zinc/13/14/20/783131420.db2.gz	RCZGCBHXNXGKAO-JCGIZDLHSA-N	1	0	358.486	1.327	20	30		FDEDRO
N#Cc1nc(Br)cnc1N(Cc1ccccc1)C1(C[NH3+])COC1	ZINC001167374435	773981101	/nfs/dbraw/zinc/98/11/01/773981101.db2.gz	DWJICLMLVMTSOA-UHFFFAOYSA-N	1	0	374.242	1.845	20	30		FDEDRO
CC(=O)N1CCC(CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1	ZINC000328736219	774364134	/nfs/dbraw/zinc/36/41/34/774364134.db2.gz	LBJYBLDGXKREEX-GOSISDBHSA-N	1	0	366.506	1.203	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)[C@H]4CC45CCC5)[C@@H]3C2)CC1	ZINC001021657662	774394078	/nfs/dbraw/zinc/39/40/78/774394078.db2.gz	GTVQUUBHMVDMNO-IPMKNSEASA-N	1	0	369.509	1.581	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCC(F)F)C1	ZINC001104305978	774436840	/nfs/dbraw/zinc/43/68/40/774436840.db2.gz	DCNUOQQTLJXLFL-ZACQAIPSSA-N	1	0	371.472	1.440	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(=O)NC2CC2)CC1	ZINC001167421960	774560047	/nfs/dbraw/zinc/56/00/47/774560047.db2.gz	DLAKKXNBSWYUPH-WMZOPIPTSA-N	1	0	363.502	1.512	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2ccccc2C)CC1	ZINC001167431627	774659899	/nfs/dbraw/zinc/65/98/99/774659899.db2.gz	JSVKSYJREBTQTH-RBUKOAKNSA-N	1	0	367.493	1.724	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cc(=O)[nH]c(C2CC2)n1	ZINC001087135894	774670887	/nfs/dbraw/zinc/67/08/87/774670887.db2.gz	CWKHXTFTKFNDDP-WWGRRREGSA-N	1	0	357.458	1.936	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)NC(=O)CC2	ZINC000275955124	774764269	/nfs/dbraw/zinc/76/42/69/774764269.db2.gz	ZIKRMKLIZBEGOC-UHFFFAOYSA-N	1	0	371.441	1.204	20	30		FDEDRO
C[C@]1(C(=O)NCCC2(C[NH2+]CC(=O)NCC#N)CC2)C[C@@H]1c1ccccc1	ZINC001167437515	774942516	/nfs/dbraw/zinc/94/25/16/774942516.db2.gz	AQROGCGCHAECKM-XLIONFOSSA-N	1	0	368.481	1.696	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000656317481	774955168	/nfs/dbraw/zinc/95/51/68/774955168.db2.gz	XVMRWZHLECSYBL-MRXNPFEDSA-N	1	0	350.507	1.134	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CN(C(=O)COC)C[C@H]1c1ccccc1	ZINC001211504418	774984010	/nfs/dbraw/zinc/98/40/10/774984010.db2.gz	XQQWDVYRMLNOFP-RBUKOAKNSA-N	1	0	371.481	1.418	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)C1	ZINC001021752464	775022088	/nfs/dbraw/zinc/02/20/88/775022088.db2.gz	VXLJTVVSHCGJDW-RCCFBDPRSA-N	1	0	357.498	1.744	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087141084	775141551	/nfs/dbraw/zinc/14/15/51/775141551.db2.gz	AYYUEHOMYREQGE-UXPWSPDFSA-N	1	0	370.497	1.606	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCNC2=O)C1	ZINC001104731570	790392097	/nfs/dbraw/zinc/39/20/97/790392097.db2.gz	OMZYJYUTKJNLNH-HZPDHXFCSA-N	1	0	350.507	1.688	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2nc(C)c(C)[nH]c2=O)C[C@H]1C	ZINC001104340399	775846368	/nfs/dbraw/zinc/84/63/68/775846368.db2.gz	BQTZUADCZHFAPT-CZUORRHYSA-N	1	0	362.474	1.277	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC=CCCC2)C[C@H]1C	ZINC001104344273	775991080	/nfs/dbraw/zinc/99/10/80/775991080.db2.gz	QYFQNNJNQFPWJW-GUDVDZBRSA-N	1	0	359.514	1.947	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H](C[NH2+]C[C@H]2CCc3ncnn32)C1	ZINC001087152188	776064756	/nfs/dbraw/zinc/06/47/56/776064756.db2.gz	JDGJDTLPJCFVKG-XYPHTWIQSA-N	1	0	367.457	1.496	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CCO[C@@H]3C[N@H+](C[C@@H]4CCOC4)C[C@@H]32)cc1	ZINC001083217107	776456752	/nfs/dbraw/zinc/45/67/52/776456752.db2.gz	IAGOJVXUIGEIBH-FFZOFVMBSA-N	1	0	370.449	1.260	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@](C)(C=C)CC)C[C@H]32)CC1	ZINC001021884203	776498390	/nfs/dbraw/zinc/49/83/90/776498390.db2.gz	UKNGUAZGSURQCX-NNMXDRDESA-N	1	0	371.525	1.993	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@]2(C(=O)OC)C[C@@H]2c2ccccc2)CC1	ZINC000933352371	777500191	/nfs/dbraw/zinc/50/01/91/777500191.db2.gz	APBRMOWFGFPSHV-WIYYLYMNSA-N	1	0	354.450	1.937	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)C2(n3cc(Br)cn3)CC2)CC1	ZINC000933354965	777510332	/nfs/dbraw/zinc/51/03/32/777510332.db2.gz	LUQUIVYKRPZFRF-UHFFFAOYSA-N	1	0	365.275	1.739	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2nnc[nH]2)C1	ZINC001075423037	777826018	/nfs/dbraw/zinc/82/60/18/777826018.db2.gz	FBLPPSWDAGOXBZ-NVXWUHKLSA-N	1	0	355.417	1.803	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)C1	ZINC001022098724	777902840	/nfs/dbraw/zinc/90/28/40/777902840.db2.gz	PYCXDNMPVGIGDM-FIUQPQMISA-N	1	0	358.417	1.349	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)C1	ZINC001022098518	777914022	/nfs/dbraw/zinc/91/40/22/777914022.db2.gz	LHOPQLMHMDLFBF-FIUQPQMISA-N	1	0	358.417	1.349	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3cncn3C2)C[C@H]1C	ZINC001104367303	777936289	/nfs/dbraw/zinc/93/62/89/777936289.db2.gz	OJBWLHCBFQNZOS-KURKYZTESA-N	1	0	360.502	1.722	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N[C@@]34CCC[C@H]3[NH2+]CC4)CC2)nc1	ZINC000891501045	778152951	/nfs/dbraw/zinc/15/29/51/778152951.db2.gz	YCVMRBJUENURAM-VQIMIIECSA-N	1	0	354.458	1.506	20	30		FDEDRO
CC(C)[NH+]1CCN(C2CCN(C(=O)N[C@@H]3CCC(=O)N(C)C3)CC2)CC1	ZINC000328817318	778158593	/nfs/dbraw/zinc/15/85/93/778158593.db2.gz	DAWWBUQJGDSVEW-MRXNPFEDSA-N	1	0	365.522	1.012	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CCC(=O)NCC2CCN(CC#N)CC2)cc1	ZINC000933485246	778240691	/nfs/dbraw/zinc/24/06/91/778240691.db2.gz	DFFHVFKPAQONSP-UHFFFAOYSA-N	1	0	372.513	1.911	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccccc2)C[C@H]1c1ccccc1	ZINC001211519040	778369291	/nfs/dbraw/zinc/36/92/91/778369291.db2.gz	IXSHJHGUDPQUHK-VQTJNVASSA-N	1	0	361.445	1.634	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cnc[nH]1	ZINC000973661318	790632203	/nfs/dbraw/zinc/63/22/03/790632203.db2.gz	NHHNGPBOWNKBPA-DAQHESOFSA-N	1	0	358.442	1.182	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)C2CCC(C(N)=O)CC2)C[C@H]1C	ZINC001104375504	778602637	/nfs/dbraw/zinc/60/26/37/778602637.db2.gz	PHIXZEVEWFKVTQ-AQEOSJORSA-N	1	0	363.502	1.002	20	30		FDEDRO
COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3OCCO[C@H]3C)C2)cc1C#N	ZINC001022224042	778725961	/nfs/dbraw/zinc/72/59/61/778725961.db2.gz	WISYHOGWRUFPKV-PTOXDTDZSA-N	1	0	359.426	1.108	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2CCNC2=O)CCCCC1	ZINC001111483396	778884132	/nfs/dbraw/zinc/88/41/32/778884132.db2.gz	BMELXMHEPHHSSP-KURKYZTESA-N	1	0	372.513	1.707	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1	ZINC000782998941	790664731	/nfs/dbraw/zinc/66/47/31/790664731.db2.gz	HWCKSHZSNOBAHI-GJZGRUSLSA-N	1	0	359.536	1.643	20	30		FDEDRO
C[C@@H]1CCN(C(=O)Cn2nccn2)[C@H](C[NH2+]Cc2cc(C#N)ccc2F)C1	ZINC001087171618	779180928	/nfs/dbraw/zinc/18/09/28/779180928.db2.gz	VQKRFOCDHWMCLN-PBHICJAKSA-N	1	0	370.432	1.706	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)NCC#C[C@H]1CCCCO1)[NH+]1CCN(C)CC1	ZINC000891753698	779265749	/nfs/dbraw/zinc/26/57/49/779265749.db2.gz	FCOREIZFPBFSHZ-QZTJIDSGSA-N	1	0	350.507	1.130	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]21	ZINC001022312720	779286400	/nfs/dbraw/zinc/28/64/00/779286400.db2.gz	CRASUBNGWVAWPB-XUVXKRRUSA-N	1	0	367.493	1.610	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@H]32)cc1	ZINC001022330834	779394193	/nfs/dbraw/zinc/39/41/93/779394193.db2.gz	GDXNYQVMAUFQKA-GBESFXJTSA-N	1	0	351.450	1.435	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)C[N@@H+](C)C4CCC4)C[C@H]32)cc1	ZINC001022334532	779417777	/nfs/dbraw/zinc/41/77/77/779417777.db2.gz	WIPBFSZPQQJPCG-AZUAARDMSA-N	1	0	365.477	1.825	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)C[C@@H]4CC[N@@H+](C)C4)C[C@H]32)cc1	ZINC001022335749	779441428	/nfs/dbraw/zinc/44/14/28/779441428.db2.gz	SWYRCJSJBXLCSP-YSIASYRMSA-N	1	0	365.477	1.683	20	30		FDEDRO
Cc1ccc(NC(=O)C(=O)NCC(C)(C)C#N)cc1NC(=O)CC[NH+](C)C	ZINC000510668288	779508913	/nfs/dbraw/zinc/50/89/13/779508913.db2.gz	PLXNTASOPAIUPX-UHFFFAOYSA-N	1	0	373.457	1.490	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@](O)(C2(C(=O)OC)CCC2)C1	ZINC000933839868	779852184	/nfs/dbraw/zinc/85/21/84/779852184.db2.gz	DRWPZZYWYCAKET-JXFKEZNVSA-N	1	0	366.502	1.970	20	30		FDEDRO
CCN1CC[NH+](CCCCNC(=O)NCc2nc(C#N)cs2)CC1	ZINC000891903157	780090540	/nfs/dbraw/zinc/09/05/40/780090540.db2.gz	HIERRLACMHOUBA-UHFFFAOYSA-N	1	0	350.492	1.232	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@H](O)COCCOC)C1	ZINC001112508262	780210437	/nfs/dbraw/zinc/21/04/37/780210437.db2.gz	XBWFHVBMKMGRDI-ZWOKBUDYSA-N	1	0	368.518	1.441	20	30		FDEDRO
CC(C)c1cccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)n1	ZINC001104390013	780648700	/nfs/dbraw/zinc/64/87/00/780648700.db2.gz	BJHAQTZJFUXCSO-HZPDHXFCSA-N	1	0	371.485	1.533	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)C(F)(F)F)C2	ZINC001112509822	781056477	/nfs/dbraw/zinc/05/64/77/781056477.db2.gz	MNVMNINUQPIYTA-XEZPLFJOSA-N	1	0	361.408	1.705	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]21	ZINC001022563792	781138359	/nfs/dbraw/zinc/13/83/59/781138359.db2.gz	BYXIJJCEJNJQSF-FHLIZLRMSA-N	1	0	354.454	1.581	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000277249479	781209900	/nfs/dbraw/zinc/20/99/00/781209900.db2.gz	PUYIAEDVGORLCW-GOSISDBHSA-N	1	0	369.469	1.443	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cnn(CCC#N)c2C)[C@@H](C)C1	ZINC000889009586	781531411	/nfs/dbraw/zinc/53/14/11/781531411.db2.gz	LSXJJNRPCSUTAN-YJBOKZPZSA-N	1	0	361.490	1.972	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@H]1C	ZINC001104398670	781701637	/nfs/dbraw/zinc/70/16/37/781701637.db2.gz	WOVAIUIGARLNAF-ZACQAIPSSA-N	1	0	366.506	1.054	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4ccnc4)c3)[C@H]2C1	ZINC001083239169	781729514	/nfs/dbraw/zinc/72/95/14/781729514.db2.gz	WUPDJRQOLHWBNX-RBUKOAKNSA-N	1	0	350.422	1.421	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1	ZINC000375663912	781855603	/nfs/dbraw/zinc/85/56/03/781855603.db2.gz	FLNKUQJAFUSRPJ-GUDVDZBRSA-N	1	0	359.514	1.877	20	30		FDEDRO
CC[NH+]=C(NCc1nnc2n1CCC2)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000262048637	781904817	/nfs/dbraw/zinc/90/48/17/781904817.db2.gz	ZHWZGKZTCSBZDH-UHFFFAOYSA-N	1	0	361.494	1.021	20	30		FDEDRO
C=C(Br)CN(C)[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC000972349880	783399357	/nfs/dbraw/zinc/39/93/57/783399357.db2.gz	XQQHOKGCSCADBM-FRRDWIJNSA-N	1	0	358.280	1.329	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@@H]3CN(Cc4cccc(C#N)c4)C[C@@H]32)C1	ZINC001083248128	783427710	/nfs/dbraw/zinc/42/77/10/783427710.db2.gz	SGHKIMHBKBBVJA-HSALFYBXSA-N	1	0	368.481	1.312	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000658460557	784084840	/nfs/dbraw/zinc/08/48/40/784084840.db2.gz	NONZOAZZVQGUEC-SFHVURJKSA-N	1	0	359.470	1.428	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2O)C1	ZINC001025542394	790998948	/nfs/dbraw/zinc/99/89/48/790998948.db2.gz	PGPIRBQCTJVPLZ-IAGOWNOFSA-N	1	0	363.502	1.151	20	30		FDEDRO
C[C@H]1C[C@H](N(C)C(=O)NCC(=O)NCC#N)CC[N@@H+]1Cc1ccccc1	ZINC000377052366	791011832	/nfs/dbraw/zinc/01/18/32/791011832.db2.gz	SILMZXSCNOAGRU-DOTOQJQBSA-N	1	0	357.458	1.321	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1conc1C)C2	ZINC001112521106	784490422	/nfs/dbraw/zinc/49/04/22/784490422.db2.gz	OADFPCAAPDLSCJ-DOXZYTNZSA-N	1	0	360.458	1.506	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(NC(N)=O)cc3)[C@H]2C1	ZINC001083266088	784515251	/nfs/dbraw/zinc/51/52/51/784515251.db2.gz	GXOLNRNKVBMBIX-DLBZAZTESA-N	1	0	358.442	1.669	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC000658591815	784560588	/nfs/dbraw/zinc/56/05/88/784560588.db2.gz	AZCSDYCAOSQILT-KRWDZBQOSA-N	1	0	351.491	1.249	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCc1ccnn1C	ZINC001024444332	784705653	/nfs/dbraw/zinc/70/56/53/784705653.db2.gz	ZFXUCGFEQNARPM-QRVBRYPASA-N	1	0	360.502	1.915	20	30		FDEDRO
C=CCCOCC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC[NH+](C)C	ZINC000658692330	784870471	/nfs/dbraw/zinc/87/04/71/784870471.db2.gz	IDOBHTNBAUTKLH-SFHVURJKSA-N	1	0	359.470	1.210	20	30		FDEDRO
C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccnn1CC	ZINC001024486753	784875418	/nfs/dbraw/zinc/87/54/18/784875418.db2.gz	HZIVRWTUTVVDOD-YQVWRLOYSA-N	1	0	358.486	1.975	20	30		FDEDRO
C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCO[C@H]1c1cnn(C)c1	ZINC001024488034	784879877	/nfs/dbraw/zinc/87/98/77/784879877.db2.gz	UUZZNXPOKHABEH-QRVBRYPASA-N	1	0	358.486	1.882	20	30		FDEDRO
C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	ZINC001024508891	784990929	/nfs/dbraw/zinc/99/09/29/784990929.db2.gz	NXDGDXRYFHNSTO-MJBXVCDLSA-N	1	0	350.381	1.880	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(OC)c(C)c(OC)c3)[C@H]2C1	ZINC001083268065	785268310	/nfs/dbraw/zinc/26/83/10/785268310.db2.gz	INHBREPJSUUJJJ-QFBILLFUSA-N	1	0	358.438	1.561	20	30		FDEDRO
C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1	ZINC000413837124	785509983	/nfs/dbraw/zinc/50/99/83/785509983.db2.gz	QJOLWSRHCRJBCE-ROUUACIJSA-N	1	0	359.470	1.920	20	30		FDEDRO
COc1ccc(CN(C)C(=O)CON=C(N)C[N@@H+]2CCCC[C@@H]2C)cc1	ZINC000177592465	785855522	/nfs/dbraw/zinc/85/55/22/785855522.db2.gz	RDLSILRMVVUTFK-HNNXBMFYSA-N	1	0	362.474	1.817	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1cc(C)on1)C2	ZINC001112528123	805668918	/nfs/dbraw/zinc/66/89/18/805668918.db2.gz	NJFGOXYVFOKMRW-PXNSSMCTSA-N	1	0	359.470	1.784	20	30		FDEDRO
C=CCN(C(=O)NCc1cccc(-n2cc(C[NH3+])nn2)c1)[C@H](C)COC	ZINC000892517860	786642995	/nfs/dbraw/zinc/64/29/95/786642995.db2.gz	GAXMGSBEVLBHAS-CQSZACIVSA-N	1	0	358.446	1.459	20	30		FDEDRO
Cc1nnc(NCCCC[NH+]2CCN(c3ncccn3)CC2)c(C#N)c1C	ZINC000511425245	786714115	/nfs/dbraw/zinc/71/41/15/786714115.db2.gz	ADXVFPJDMDFKQH-UHFFFAOYSA-N	1	0	366.473	1.769	20	30		FDEDRO
C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)C1	ZINC000255892344	787366969	/nfs/dbraw/zinc/36/69/69/787366969.db2.gz	XDWSLAJSHFLNOG-RSBDWGPQSA-N	1	0	354.454	1.938	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCO)C1	ZINC001211683767	805780535	/nfs/dbraw/zinc/78/05/35/805780535.db2.gz	ARDJCFXKHVDMLP-GBESFXJTSA-N	1	0	359.470	1.034	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CCN(C(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)nc1	ZINC000892590287	787511600	/nfs/dbraw/zinc/51/16/00/787511600.db2.gz	ZQIWUICDGFZGFS-YVSFHVDLSA-N	1	0	355.442	1.647	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1	ZINC001104552321	787750125	/nfs/dbraw/zinc/75/01/25/787750125.db2.gz	CYBBCSYWMMPCFX-FGTMMUONSA-N	1	0	368.543	1.689	20	30		FDEDRO
CC#CCN1C[C@H]2OCCN(C(=O)Cn3nc(C)c(Cl)c3C)[C@H]2C1	ZINC001083277413	787754133	/nfs/dbraw/zinc/75/41/33/787754133.db2.gz	COOIZGZEPMYVTB-LSDHHAIUSA-N	1	0	350.850	1.088	20	30		FDEDRO
CCOC1CC(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C2)C1	ZINC001104573284	788195668	/nfs/dbraw/zinc/19/56/68/788195668.db2.gz	PPFLPDOLTTYGRG-TXQGORRRSA-N	1	0	350.503	1.916	20	30		FDEDRO
C=CCn1cc(C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)nn1	ZINC000648262404	788281182	/nfs/dbraw/zinc/28/11/82/788281182.db2.gz	UDRCAORVUDZAIC-UHFFFAOYSA-N	1	0	356.386	1.186	20	30		FDEDRO
C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](C(C)(C)COC)CC1	ZINC000424225561	788403829	/nfs/dbraw/zinc/40/38/29/788403829.db2.gz	VQKZMZFOLGGUCW-INIZCTEOSA-N	1	0	363.506	1.905	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1	ZINC000973324575	788559293	/nfs/dbraw/zinc/55/92/93/788559293.db2.gz	ICCJCLKMSMVFJD-QQCJEOGWSA-N	1	0	363.502	1.461	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@]34C[C@H]3CCC4)C2)CC1	ZINC000978910900	805902588	/nfs/dbraw/zinc/90/25/88/805902588.db2.gz	VBNNVLDYBWAWOP-LAVAIGHBSA-N	1	0	357.498	1.533	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1	ZINC000973370088	788803622	/nfs/dbraw/zinc/80/36/22/788803622.db2.gz	NOHTYXOMJMRHHH-TXTZMMAHSA-N	1	0	363.502	1.604	20	30		FDEDRO
C=C(Br)C[NH2+]CC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C	ZINC001104614741	788904445	/nfs/dbraw/zinc/90/44/45/788904445.db2.gz	PASWLZPYZDAHDT-ZYHUDNBSSA-N	1	0	358.280	1.235	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCNS(C)(=O)=O)C2)CC1	ZINC001104631247	789058552	/nfs/dbraw/zinc/05/85/52/789058552.db2.gz	GIMVTKDWGXGRBG-NVXWUHKLSA-N	1	0	371.547	1.356	20	30		FDEDRO
C=CCN(C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H](C)COC	ZINC000659536934	789142508	/nfs/dbraw/zinc/14/25/08/789142508.db2.gz	AVDQBVIVLLYCHV-QWHCGFSZSA-N	1	0	352.401	1.055	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1	ZINC000892694283	789172707	/nfs/dbraw/zinc/17/27/07/789172707.db2.gz	FGEVJHMLAFUTMZ-CVEARBPZSA-N	1	0	364.490	1.945	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCC(F)(F)C2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104669534	789277197	/nfs/dbraw/zinc/27/71/97/789277197.db2.gz	PYFUDYTXOVVBNC-RBSFLKMASA-N	1	0	370.444	1.526	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2cccnc2C)C[C@H]1C	ZINC001104672373	789282442	/nfs/dbraw/zinc/28/24/42/789282442.db2.gz	JLMMHNJFMFGWFA-CRAIPNDOSA-N	1	0	358.486	1.309	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1C	ZINC001104674966	789293563	/nfs/dbraw/zinc/29/35/63/789293563.db2.gz	KXGSGRCWZSVROO-DMRZNYOFSA-N	1	0	371.909	1.449	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000979066826	806030140	/nfs/dbraw/zinc/03/01/40/806030140.db2.gz	WCZYADNLSXJMOU-SIUPPRGNSA-N	1	0	368.437	1.550	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)CCCN2	ZINC000415108937	791427991	/nfs/dbraw/zinc/42/79/91/791427991.db2.gz	LBQJEKNJLWQFLJ-UHFFFAOYSA-N	1	0	357.458	1.677	20	30		FDEDRO
CN(C)c1ccc([C@@H](CNC(=O)NC2CCN(CC#N)CC2)[NH+](C)C)cc1	ZINC000892879474	791548996	/nfs/dbraw/zinc/54/89/96/791548996.db2.gz	LEXXILBARAITHT-LJQANCHMSA-N	1	0	372.517	1.642	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1)C2	ZINC001112529038	806085366	/nfs/dbraw/zinc/08/53/66/806085366.db2.gz	AXZWYOPSQOGBRU-LJCCNALRSA-N	1	0	363.502	1.417	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CC23CCN(c2ccc(C#N)nn2)CC3)CC[N@@H+]1C	ZINC001058655776	791702769	/nfs/dbraw/zinc/70/27/69/791702769.db2.gz	KQLCVFUKSLYAIH-BMFZPTHFSA-N	1	0	354.458	1.164	20	30		FDEDRO
N#Cc1ccc(NC(=O)CN2CCC(CC[NH+]3CCOCC3)CC2)cc1	ZINC000377511369	792060337	/nfs/dbraw/zinc/06/03/37/792060337.db2.gz	JLXFRGCSZRJAKV-UHFFFAOYSA-N	1	0	356.470	1.931	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCN(CC[NH+](C)C)CC1	ZINC000377537110	792137317	/nfs/dbraw/zinc/13/73/17/792137317.db2.gz	GQGSEAMPGGSIMP-UHFFFAOYSA-N	1	0	373.501	1.304	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)ccc1OCC(F)(F)F	ZINC000415381846	792149138	/nfs/dbraw/zinc/14/91/38/792149138.db2.gz	RKPBRYAGTKXLKR-GFCCVEGCSA-N	1	0	370.331	1.306	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1=O	ZINC001025818943	792150957	/nfs/dbraw/zinc/15/09/57/792150957.db2.gz	POCMDANTRRPDIM-FQESAXDCSA-N	1	0	371.506	1.685	20	30		FDEDRO
C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000415410333	792201919	/nfs/dbraw/zinc/20/19/19/792201919.db2.gz	KCMLBYXFFGXAPA-SNVBAGLBSA-N	1	0	372.347	1.410	20	30		FDEDRO
O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000415411730	792203704	/nfs/dbraw/zinc/20/37/04/792203704.db2.gz	XBILFLOHTLZCHG-KRWDZBQOSA-N	1	0	362.433	1.536	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)n2)c(F)c1	ZINC000415444868	792277790	/nfs/dbraw/zinc/27/77/90/792277790.db2.gz	RRMJWFKUOLVOCZ-OFQRWUPVSA-N	1	0	368.416	2.474	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3CCC[C@H](CC[NH3+])C3)n2)c(F)c1	ZINC000415456063	792300759	/nfs/dbraw/zinc/30/07/59/792300759.db2.gz	KHFSNFXJNDCKKX-CYBMUJFWSA-N	1	0	356.405	2.476	20	30		FDEDRO
C[NH2+]C[C@H]1CCCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1	ZINC000415469422	792320748	/nfs/dbraw/zinc/32/07/48/792320748.db2.gz	XIYAXPPUAMXTBN-CQSZACIVSA-N	1	0	356.405	2.346	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000415476108	792332249	/nfs/dbraw/zinc/33/22/49/792332249.db2.gz	RVHXRHMSATVARR-CABCVRRESA-N	1	0	356.426	1.637	20	30		FDEDRO
O=S(=O)(C1CCOCC1)N1CCC([NH2+]CC#Cc2ccccc2)CC1	ZINC000892999220	792386995	/nfs/dbraw/zinc/38/69/95/792386995.db2.gz	BWOXOBRMBMSOJB-UHFFFAOYSA-N	1	0	362.495	1.601	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])CCCC)cc1	ZINC000415502959	792395436	/nfs/dbraw/zinc/39/54/36/792395436.db2.gz	RDMBGALJGDTUQC-OAHLLOKOSA-N	1	0	361.446	1.566	20	30		FDEDRO
C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(CCOCCOC)CC1	ZINC000652621904	806149823	/nfs/dbraw/zinc/14/98/23/806149823.db2.gz	YCORBQCULMXKKJ-UHFFFAOYSA-N	1	0	374.489	1.634	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@]2(C)C=CCC2)C[C@H]1c1ccccc1	ZINC001211650386	792449832	/nfs/dbraw/zinc/44/98/32/792449832.db2.gz	GBKZRDGLPPPYMI-JQVVWYNYSA-N	1	0	365.477	1.676	20	30		FDEDRO
C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	ZINC000415565954	792537558	/nfs/dbraw/zinc/53/75/58/792537558.db2.gz	PJDLNWQCOUZOIA-NWDGAFQWSA-N	1	0	369.450	1.829	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCO[C@](C)(C#N)C2)[C@H](C)C1	ZINC000893050760	792646803	/nfs/dbraw/zinc/64/68/03/792646803.db2.gz	NKZIJHJHHWLGDU-SOLBZPMBSA-N	1	0	352.479	1.447	20	30		FDEDRO
O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1	ZINC000415669741	792779833	/nfs/dbraw/zinc/77/98/33/792779833.db2.gz	GKPMKUAHIZIONZ-KDURUIRLSA-N	1	0	359.429	1.703	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)c1	ZINC000415678331	792803162	/nfs/dbraw/zinc/80/31/62/792803162.db2.gz	OHPRJDUYPDLDPA-OAHLLOKOSA-N	1	0	358.442	1.895	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1	ZINC000415764128	792944230	/nfs/dbraw/zinc/94/42/30/792944230.db2.gz	PGIIBTOEOZTAMR-INIZCTEOSA-N	1	0	371.485	1.901	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(=O)N3CCCCC3)C[C@H]21	ZINC001026054957	793046563	/nfs/dbraw/zinc/04/65/63/793046563.db2.gz	OWAHGDUTILVPOF-OXODIDRGSA-N	1	0	361.486	1.025	20	30		FDEDRO
Cn1cc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)n(C)c1=O	ZINC000893116345	793060327	/nfs/dbraw/zinc/06/03/27/793060327.db2.gz	ZMYOTTXOAVTPJP-UHFFFAOYSA-N	1	0	368.437	1.687	20	30		FDEDRO
O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N[C@@H]1CCCC[NH2+]C1	ZINC000415861259	793202834	/nfs/dbraw/zinc/20/28/34/793202834.db2.gz	DGHUDVVWXIVYKL-LJQANCHMSA-N	1	0	362.433	1.678	20	30		FDEDRO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCOC2(C[NH2+]C2)C1	ZINC000415884104	793291999	/nfs/dbraw/zinc/29/19/99/793291999.db2.gz	CPLFVDOLFQWEDA-ZDUSSCGKSA-N	1	0	374.466	1.078	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2nc(C)ncc2Cl)C[C@H]1C	ZINC001104757150	793470415	/nfs/dbraw/zinc/47/04/15/793470415.db2.gz	NZTSEVQJLQISLO-UKRRQHHQSA-N	1	0	364.877	1.776	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N(C)CCC[N@H+](C)CCN(C)C	ZINC000290558073	793507523	/nfs/dbraw/zinc/50/75/23/793507523.db2.gz	FPFONIYNSFZMAC-UHFFFAOYSA-N	1	0	362.474	1.288	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](CC)C(N)=O)C2)cc1	ZINC001104767805	793550169	/nfs/dbraw/zinc/55/01/69/793550169.db2.gz	DHPIXTHHJOQBKW-SUMDDJOVSA-N	1	0	371.481	1.650	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC[C@@H]3CCOC3)C2)nn1	ZINC001104769179	793554600	/nfs/dbraw/zinc/55/46/00/793554600.db2.gz	HPRWBQZMGBCSEU-BRWVUGGUSA-N	1	0	361.490	1.579	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](C)c3ncccn3)C2)nn1	ZINC001104769181	793554706	/nfs/dbraw/zinc/55/47/06/793554706.db2.gz	HRRNZBJFKMWEPL-BZUAXINKSA-N	1	0	369.473	1.703	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C[C@H]1C	ZINC001104782179	793629930	/nfs/dbraw/zinc/62/99/30/793629930.db2.gz	OTFQMMSVLBOYPN-OAGGEKHMSA-N	1	0	357.520	1.061	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cncc(Cl)c2)C[C@H]1C	ZINC001104791052	793688882	/nfs/dbraw/zinc/68/88/82/793688882.db2.gz	MIBDCMVNGRSGIG-ZIAGYGMSSA-N	1	0	362.861	1.172	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cncc(Cl)c2)C[C@H]1C	ZINC001104792262	793695223	/nfs/dbraw/zinc/69/52/23/793695223.db2.gz	MSAVBQPXZZVHCV-ZIAGYGMSSA-N	1	0	364.877	1.725	20	30		FDEDRO
CCn1nc(C)c(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C2)c1C	ZINC001104799727	793753510	/nfs/dbraw/zinc/75/35/10/793753510.db2.gz	PTVICUBHAMZQOK-CRAIPNDOSA-N	1	0	360.502	1.857	20	30		FDEDRO
[NH2+]=C(NCC(=O)N1CCN(c2ccccc2)CC1)NC1CCCCCC1	ZINC000092277881	793761781	/nfs/dbraw/zinc/76/17/81/793761781.db2.gz	RAEKYAJGRKZNDV-UHFFFAOYSA-N	1	0	357.502	1.962	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)C2CCOCC2)C[C@H]1C	ZINC001104804132	793769145	/nfs/dbraw/zinc/76/91/45/793769145.db2.gz	SAPRIPGAFAPYOC-SJLPKXTDSA-N	1	0	365.518	1.570	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)c2c(C)n[nH]c2C)C[C@H]1C	ZINC001104802553	793774048	/nfs/dbraw/zinc/77/40/48/793774048.db2.gz	GPYSSGLIBKVOQB-RVKKMQEKSA-N	1	0	360.502	1.854	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)n2cccn2)C[C@H]1C(F)(F)F	ZINC001112051875	793794894	/nfs/dbraw/zinc/79/48/94/793794894.db2.gz	OAVGPYNQBZQCFB-MGPQQGTHSA-N	1	0	358.364	1.073	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnon2)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1F	ZINC001104818602	793884957	/nfs/dbraw/zinc/88/49/57/793884957.db2.gz	UXNFTZKQSACZRR-IUODEOHRSA-N	1	0	357.389	1.968	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1	ZINC000378318111	793938165	/nfs/dbraw/zinc/93/81/65/793938165.db2.gz	WQYPOSXWCNQYRR-APWZRJJASA-N	1	0	371.485	1.277	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)C[C@H]1C	ZINC001104852493	794076365	/nfs/dbraw/zinc/07/63/65/794076365.db2.gz	RCWKQXOWBWREBI-IXDOHACOSA-N	1	0	361.490	1.579	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)COCc2nncn2C)C[C@H]1C	ZINC001104857066	794086640	/nfs/dbraw/zinc/08/66/40/794086640.db2.gz	SACLNGIIRMXMNI-BRWVUGGUSA-N	1	0	363.506	1.761	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2csc(Cl)n2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104876525	794180784	/nfs/dbraw/zinc/18/07/84/794180784.db2.gz	VRJGNPDTWSAQGZ-GHMZBOCLSA-N	1	0	369.878	1.124	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NCC1CC[NH+](CCc2ccccc2)CC1	ZINC000378469246	794193041	/nfs/dbraw/zinc/19/30/41/794193041.db2.gz	BDGNPXUSALKRFM-UHFFFAOYSA-N	1	0	358.486	1.543	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)CCOCCCOC)C[C@H]1C	ZINC001104884161	794207675	/nfs/dbraw/zinc/20/76/75/794207675.db2.gz	PZQHMGNKJYIYPJ-QZTJIDSGSA-N	1	0	354.491	1.154	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc3c([nH]2)CCC3)C[C@H]1C	ZINC001104897815	794282941	/nfs/dbraw/zinc/28/29/41/794282941.db2.gz	FNQVATUEFUEYRU-GDBMZVCRSA-N	1	0	358.486	1.493	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2conc2COC)C[C@H]1C	ZINC001104900162	794289318	/nfs/dbraw/zinc/28/93/18/794289318.db2.gz	LDVQCIIWZFPMPN-HUUCEWRRSA-N	1	0	351.447	1.711	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C[C@H]1C	ZINC001104904742	794313272	/nfs/dbraw/zinc/31/32/72/794313272.db2.gz	JIDKSXUBZAVTRY-VXGBXAGGSA-N	1	0	350.419	1.160	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CCCC(=O)NCC)C[C@H]1C	ZINC001104917805	794369166	/nfs/dbraw/zinc/36/91/66/794369166.db2.gz	KWFSKIYXMPJYLJ-IAGOWNOFSA-N	1	0	353.507	1.570	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCOCCOC)C2)cn1	ZINC001104927547	794434609	/nfs/dbraw/zinc/43/46/09/794434609.db2.gz	IQCIOTROYNYIFJ-SJLPKXTDSA-N	1	0	359.470	1.414	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](CCCC)C(N)=O)C2)cn1	ZINC001104927802	794436564	/nfs/dbraw/zinc/43/65/64/794436564.db2.gz	UVSULUDMRJYYMU-SZVBFZGTSA-N	1	0	370.497	1.795	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NCCC)C2)cn1	ZINC001104927746	794436763	/nfs/dbraw/zinc/43/67/63/794436763.db2.gz	RPNQUGHZGRWAFI-SOLBZPMBSA-N	1	0	370.497	1.665	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(NC(C)=O)cc2)C[C@H]1C	ZINC001104943434	794504819	/nfs/dbraw/zinc/50/48/19/794504819.db2.gz	WHJGSCFQKJWKNJ-VQIMIIECSA-N	1	0	371.481	1.983	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@H]1C	ZINC001104957150	794565088	/nfs/dbraw/zinc/56/50/88/794565088.db2.gz	CUBUXEJECKKEMJ-ZIAGYGMSSA-N	1	0	357.445	1.491	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1	ZINC000974163469	794579180	/nfs/dbraw/zinc/57/91/80/794579180.db2.gz	SDTGEHAWFSLMMC-ADHGMGHFSA-N	1	0	361.486	1.073	20	30		FDEDRO
C[N@H+](CC(=O)Nc1ccc(C#N)cc1)C1CCN(c2ncccn2)CC1	ZINC000365833839	794585673	/nfs/dbraw/zinc/58/56/73/794585673.db2.gz	QNFAJANNDVPYJI-UHFFFAOYSA-N	1	0	350.426	1.888	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1	ZINC000974172168	794616636	/nfs/dbraw/zinc/61/66/36/794616636.db2.gz	AOVIXIGROHMPOD-YVSFHVDLSA-N	1	0	361.486	1.217	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C3CCC3)C2)CC1	ZINC000974179700	794652009	/nfs/dbraw/zinc/65/20/09/794652009.db2.gz	IFBQISLIPNJICC-ZSYWTGECSA-N	1	0	357.498	1.531	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2n[nH]c3ccccc32)C[C@H]1C	ZINC001104971716	794662331	/nfs/dbraw/zinc/66/23/31/794662331.db2.gz	VHNFQGJCEBZREJ-HUUCEWRRSA-N	1	0	369.469	1.553	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2ccccc2F)C[C@H]1C	ZINC001104971739	794662486	/nfs/dbraw/zinc/66/24/86/794662486.db2.gz	WXGUBBJQZGUNFX-NVXWUHKLSA-N	1	0	361.461	1.745	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc3ccccc3o2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104977947	794708745	/nfs/dbraw/zinc/70/87/45/794708745.db2.gz	COBBDEOCMOIALG-GDBMZVCRSA-N	1	0	368.437	1.760	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)Cc2ccccc2)C[C@H]1C	ZINC001104980906	794722910	/nfs/dbraw/zinc/72/29/10/794722910.db2.gz	VMQOFXHZMLKYFA-IEBWSBKVSA-N	1	0	357.498	1.996	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(CNC(N)=O)cc2)C[C@H]1C	ZINC001104993779	794774038	/nfs/dbraw/zinc/77/40/38/794774038.db2.gz	BKBSBXIRWBQMHU-CRAIPNDOSA-N	1	0	356.470	1.566	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1	ZINC000974227458	794838291	/nfs/dbraw/zinc/83/82/91/794838291.db2.gz	MGIPKHPIJRZTHU-AVEIZBFRSA-N	1	0	363.502	1.319	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C	ZINC000431921044	794975443	/nfs/dbraw/zinc/97/54/43/794975443.db2.gz	ATXXSKFEDHUETR-KRWDZBQOSA-N	1	0	357.458	1.931	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(C)(C)CC)C1	ZINC001105090109	795233494	/nfs/dbraw/zinc/23/34/94/795233494.db2.gz	JSRJBGHLYXPMSX-IXDOHACOSA-N	1	0	367.534	1.957	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H]2CCc3ncnn32)C1	ZINC001105090157	795233753	/nfs/dbraw/zinc/23/37/53/795233753.db2.gz	LSRMUDYONWYKAD-ZACQAIPSSA-N	1	0	361.490	1.432	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC23CCOCC3)C[C@H]1C	ZINC001105118098	795338883	/nfs/dbraw/zinc/33/88/83/795338883.db2.gz	CXASXPALISFIQJ-BRWVUGGUSA-N	1	0	363.502	1.180	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NC2CCC([NH2+]Cc3ccccc3C#N)CC2)C1	ZINC001026496152	795456334	/nfs/dbraw/zinc/45/63/34/795456334.db2.gz	NTRRVBCNFOOAIK-YOODTLSXSA-N	1	0	368.481	1.990	20	30		FDEDRO
C[C@@]1(C[NH3+])CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000418015028	795462728	/nfs/dbraw/zinc/46/27/28/795462728.db2.gz	VLQGSMZYZOKMHV-LPHOPBHVSA-N	1	0	355.442	1.434	20	30		FDEDRO
C=CCCCCC[NH2+]Cc1cn(C2CN(C(=O)[C@]34C[C@H]3COC4)C2)nn1	ZINC001105244268	795538343	/nfs/dbraw/zinc/53/83/43/795538343.db2.gz	UIOTZLCTZOVFPA-KXBFYZLASA-N	1	0	359.474	1.534	20	30		FDEDRO
C=CCN(C(=O)NCCC(=O)N(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000364283377	795593350	/nfs/dbraw/zinc/59/33/50/795593350.db2.gz	RRCFJADMQDWMMK-GOSISDBHSA-N	1	0	358.486	1.937	20	30		FDEDRO
COCC1(C#N)CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1	ZINC000500181254	795593399	/nfs/dbraw/zinc/59/33/99/795593399.db2.gz	JBYFBVNSXKWIBI-IAGOWNOFSA-N	1	0	364.490	1.326	20	30		FDEDRO
N#Cc1cccc(OC2CCN(C(=O)NCCCN3CC[NH2+]CC3)CC2)c1	ZINC000418290031	795714793	/nfs/dbraw/zinc/71/47/93/795714793.db2.gz	PZVGFUYBXPGPQC-UHFFFAOYSA-N	1	0	371.485	1.406	20	30		FDEDRO
C=C(C)CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)C2)nn1	ZINC001105290778	795824561	/nfs/dbraw/zinc/82/45/61/795824561.db2.gz	YQZHHBBMZXVLIO-IAGOWNOFSA-N	1	0	369.473	1.254	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H](C[NH3+])C1CCCCC1	ZINC000418370154	795827441	/nfs/dbraw/zinc/82/74/41/795827441.db2.gz	VJQRHBYDLDNSCY-GOEBONIOSA-N	1	0	371.489	1.476	20	30		FDEDRO
N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)N[C@@H]1CCC[NH2+]C1	ZINC000418385566	795849896	/nfs/dbraw/zinc/84/98/96/795849896.db2.gz	QFNKCFIIGFEDET-CQSZACIVSA-N	1	0	367.457	1.310	20	30		FDEDRO
O=C([C@H]1CC1(F)F)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCC(F)F)C1	ZINC001112096669	795861523	/nfs/dbraw/zinc/86/15/23/795861523.db2.gz	ZJZJCEDTXMZBIG-IWSPIJDZSA-N	1	0	366.277	1.902	20	30		FDEDRO
CC(C)([NH3+])CNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000418416622	795884440	/nfs/dbraw/zinc/88/44/40/795884440.db2.gz	REDCHXMSCDAKSK-UHFFFAOYSA-N	1	0	355.446	1.295	20	30		FDEDRO
CC(C)C[C@H](C[NH3+])NC(=O)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000418420678	795890366	/nfs/dbraw/zinc/89/03/66/795890366.db2.gz	ACGZKDBUFUFASC-LPMFXHHGSA-N	1	0	355.442	1.415	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C[C@]12c1ccccc1NC2=O	ZINC000418424045	795902957	/nfs/dbraw/zinc/90/29/57/795902957.db2.gz	JUKAVNXNIHWAHP-XGNBGGDFSA-N	1	0	367.453	1.559	20	30		FDEDRO
CCC[NH2+]CCNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000418471389	795964733	/nfs/dbraw/zinc/96/47/33/795964733.db2.gz	KZEBIUHGAFWVMX-UHFFFAOYSA-N	1	0	372.429	1.637	20	30		FDEDRO
C[C@@H](CC[NH3+])NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000418514650	796046741	/nfs/dbraw/zinc/04/67/41/796046741.db2.gz	AXSARXITZAVMGL-ZDUSSCGKSA-N	1	0	355.446	1.295	20	30		FDEDRO
C=C(C)Cn1c(-c2ncon2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000909333520	796172296	/nfs/dbraw/zinc/17/22/96/796172296.db2.gz	JECAEAKVNROKQC-CQSZACIVSA-N	1	0	359.434	1.063	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@@H]3CN(C(=O)C45CCC[NH+]4CCC5)[C@@H]3C2)c1	ZINC000974568146	799808266	/nfs/dbraw/zinc/80/82/66/799808266.db2.gz	XWGHKDVNMRPELC-NVXWUHKLSA-N	1	0	367.453	1.188	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)CC2(C)C)C1	ZINC000974597582	799907472	/nfs/dbraw/zinc/90/74/72/799907472.db2.gz	SDZJDZHAGAKGTD-ZTFGCOKTSA-N	1	0	368.481	1.800	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]32)nc1	ZINC000974669837	800025974	/nfs/dbraw/zinc/02/59/74/800025974.db2.gz	SUONUETYLWCAQT-KBAYOESNSA-N	1	0	354.454	1.076	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]32)cc1	ZINC000974700280	800140596	/nfs/dbraw/zinc/14/05/96/800140596.db2.gz	HRMPKRIJHYSHFB-CEXWTWQISA-N	1	0	353.466	1.681	20	30		FDEDRO
CC#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C(C)(C)C1	ZINC000975029000	800782883	/nfs/dbraw/zinc/78/28/83/800782883.db2.gz	HJUFDUYZHKUCQR-BBWFWOEESA-N	1	0	361.486	1.006	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ncnn2CC(C)C)C1	ZINC001027074976	800887318	/nfs/dbraw/zinc/88/73/18/800887318.db2.gz	KGWINLDBFVMORJ-BBWFWOEESA-N	1	0	361.490	1.463	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000975213775	801008871	/nfs/dbraw/zinc/00/88/71/801008871.db2.gz	MVOBNRBBAIXQDH-FHLIZLRMSA-N	1	0	371.485	1.585	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](CNC(=O)[C@]34C[C@H]3CCC4)C2)CC1	ZINC000975438543	801320318	/nfs/dbraw/zinc/32/03/18/801320318.db2.gz	SPFQFFXITCGGDC-LRXVAGHRSA-N	1	0	371.525	1.877	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC000975432577	801345129	/nfs/dbraw/zinc/34/51/29/801345129.db2.gz	YTPBPMRYNCIQMY-JTDSTZFVSA-N	1	0	368.481	1.372	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]C[C@@H](O)COC)C2)CC1	ZINC001112524527	801475574	/nfs/dbraw/zinc/47/55/74/801475574.db2.gz	SXZRNWNZYBOZIJ-QKLQHJQFSA-N	1	0	350.503	1.958	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCc2ccc(S(=O)(=O)NCC)cc2)CCC[NH2+]1	ZINC000662655880	806926916	/nfs/dbraw/zinc/92/69/16/806926916.db2.gz	JIIKKCMYTMHHRQ-KRWDZBQOSA-N	1	0	351.472	1.299	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)C1	ZINC000975695851	801998886	/nfs/dbraw/zinc/99/88/86/801998886.db2.gz	FBZCKINONYICTQ-ZCNNSNEGSA-N	1	0	371.525	1.971	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CCN(C(=O)C[NH+]4CCCC4)C[C@@H]32)nc1	ZINC000975713864	802099034	/nfs/dbraw/zinc/09/90/34/802099034.db2.gz	BNFQFQBIESOGQQ-HKUYNNGSSA-N	1	0	366.465	1.222	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)CCC[NH2+]1	ZINC000662682734	806961610	/nfs/dbraw/zinc/96/16/10/806961610.db2.gz	ORCITQLEQYANHV-PXNSSMCTSA-N	1	0	362.518	1.230	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)C4CCCC4)[C@H]3C2)CC1	ZINC000975754263	802207444	/nfs/dbraw/zinc/20/74/44/802207444.db2.gz	HMBXRFMCBFSMNS-PXNSSMCTSA-N	1	0	371.525	1.971	20	30		FDEDRO
C[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@H]3C2)CC1	ZINC000975785899	802376173	/nfs/dbraw/zinc/37/61/73/802376173.db2.gz	SHKROBRSIIWAII-KSSFIOAISA-N	1	0	369.469	1.291	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@H]3C2)cc1	ZINC000975847062	802579823	/nfs/dbraw/zinc/57/98/23/802579823.db2.gz	ODJLZQYHWYFVRR-IHPCNDPISA-N	1	0	365.477	1.683	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CC[C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C1	ZINC000975854348	802603894	/nfs/dbraw/zinc/60/38/94/802603894.db2.gz	UYESOFSIKBMJPN-BZSNNMDCSA-N	1	0	359.514	1.990	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(CC[NH2+][C@H]2CCNC2=O)cc1	ZINC001027254813	802639880	/nfs/dbraw/zinc/63/98/80/802639880.db2.gz	PSNIEWFIKMJTOO-FHWLQOOXSA-N	1	0	371.481	1.305	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCc2ccccc2N2CCN(C(C)=O)CC2)CCC[NH2+]1	ZINC000662710290	802782611	/nfs/dbraw/zinc/78/26/11/802782611.db2.gz	WTRXTKNSHHCNSX-NRFANRHFSA-N	1	0	370.497	1.670	20	30		FDEDRO
C=CC[C@H]1CC[C@@H]([NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)C1	ZINC000651720159	802794839	/nfs/dbraw/zinc/79/48/39/802794839.db2.gz	RTTXTTUSLYHRPI-GOEBONIOSA-N	1	0	352.504	1.908	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccncc2)CC1	ZINC000976166080	803020809	/nfs/dbraw/zinc/02/08/09/803020809.db2.gz	IDVJDEHJJJCCQL-RTBURBONSA-N	1	0	368.481	1.584	20	30		FDEDRO
C=CCN(CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@@H](C)COC	ZINC000661245240	803096109	/nfs/dbraw/zinc/09/61/09/803096109.db2.gz	ZIGFDZJHZXPOBI-SFHVURJKSA-N	1	0	367.534	1.661	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCC[N@H+]2C)cn1	ZINC000976414426	803343748	/nfs/dbraw/zinc/34/37/48/803343748.db2.gz	VULVHTRZCYPTKA-KZNAEPCWSA-N	1	0	354.454	1.314	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(CC)CC2)C[C@H]1c1ccccc1	ZINC001211666931	803383064	/nfs/dbraw/zinc/38/30/64/803383064.db2.gz	OTMUVHGDBIFAFZ-ZWKOTPCHSA-N	1	0	353.466	1.510	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2(CC)CC2)C[C@H]1c1ccccc1	ZINC001211667043	803393354	/nfs/dbraw/zinc/39/33/54/803393354.db2.gz	SNGLMRKTJJCIHS-NZSAHSFTSA-N	1	0	367.493	1.899	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2cc(C#N)c[nH]2)C1	ZINC000976474198	803428965	/nfs/dbraw/zinc/42/89/65/803428965.db2.gz	NHQBZQIFGQFXMB-FVQBIDKESA-N	1	0	357.458	1.385	20	30		FDEDRO
C=CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000661380979	803435576	/nfs/dbraw/zinc/43/55/76/803435576.db2.gz	SFPXHKWMSNQENL-KBPBESRZSA-N	1	0	351.472	1.949	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C=C2CCC2)CC1	ZINC000976501775	803439380	/nfs/dbraw/zinc/43/93/80/803439380.db2.gz	ILTBLKZIIKFHIH-RTBURBONSA-N	1	0	357.498	1.986	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(CC=C)CCC1)C2	ZINC001112525534	803590200	/nfs/dbraw/zinc/59/02/00/803590200.db2.gz	YBGYLSVETTXHHD-UWJYYQICSA-N	1	0	357.498	1.701	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1	ZINC000423084814	814957795	/nfs/dbraw/zinc/95/77/95/814957795.db2.gz	IQFGBYMACSPWMO-ROUUACIJSA-N	1	0	354.454	1.365	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1	ZINC000423118333	814964338	/nfs/dbraw/zinc/96/43/38/814964338.db2.gz	AAJOWLMLDGGQMJ-FHWLQOOXSA-N	1	0	368.481	1.883	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1	ZINC000423122231	814966346	/nfs/dbraw/zinc/96/63/46/814966346.db2.gz	JQYLOZPYMAHIPK-OAHLLOKOSA-N	1	0	356.470	1.883	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCN2CCCC2=O)C1	ZINC001027416087	803808102	/nfs/dbraw/zinc/80/81/02/803808102.db2.gz	ZFRUCJHHXGUZNR-KURKYZTESA-N	1	0	363.502	1.513	20	30		FDEDRO
C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1	ZINC000423148070	814973229	/nfs/dbraw/zinc/97/32/29/814973229.db2.gz	FEKWDRBRNDKARW-INIZCTEOSA-N	1	0	370.453	1.138	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1	ZINC000423184804	814983655	/nfs/dbraw/zinc/98/36/55/814983655.db2.gz	IQQPAULVXIBHRC-GBESFXJTSA-N	1	0	366.465	1.659	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1	ZINC000423166142	814985799	/nfs/dbraw/zinc/98/57/99/814985799.db2.gz	CKEIDSLCNWCPGE-IAGOWNOFSA-N	1	0	357.454	1.278	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1	ZINC000423173277	814987608	/nfs/dbraw/zinc/98/76/08/814987608.db2.gz	XUGWTZFEKOUHBD-YTQUADARSA-N	1	0	371.481	1.796	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1	ZINC000423173140	814987687	/nfs/dbraw/zinc/98/76/87/814987687.db2.gz	XCMNEHVUWIBLOP-DOTOQJQBSA-N	1	0	359.470	1.653	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CCC(C[NH3+])CC1	ZINC000423214811	815004823	/nfs/dbraw/zinc/00/48/23/815004823.db2.gz	NDWCUUKPNYRMMU-UHFFFAOYSA-N	1	0	360.414	1.307	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CCC[C@@H](C[NH2+]C)C1	ZINC000423216111	815005489	/nfs/dbraw/zinc/00/54/89/815005489.db2.gz	PMKFHPOYKAEQLK-INIZCTEOSA-N	1	0	374.441	1.567	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c(OC)c1	ZINC000661610909	804287526	/nfs/dbraw/zinc/28/75/26/804287526.db2.gz	ULEQKNPMFPLDLW-KZNAEPCWSA-N	1	0	374.481	1.764	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1	ZINC000423218866	815006912	/nfs/dbraw/zinc/00/69/12/815006912.db2.gz	VGZRZCKRNBXGHY-AWEZNQCLSA-N	1	0	374.441	1.695	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1	ZINC000423219337	815006948	/nfs/dbraw/zinc/00/69/48/815006948.db2.gz	WDQHVXDDMPLGBW-XIRDDKMYSA-N	1	0	372.425	1.305	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1	ZINC000423219045	815007294	/nfs/dbraw/zinc/00/72/94/815007294.db2.gz	VQUWKVMOFYFOMF-HZPDHXFCSA-N	1	0	372.425	1.177	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1	ZINC000423221291	815007560	/nfs/dbraw/zinc/00/75/60/815007560.db2.gz	ZDMSNJILLHMJHF-HOTGVXAUSA-N	1	0	372.425	1.177	20	30		FDEDRO
C=CC[C@]1(C(=O)NC[C@@H]2CN(C)CCN2Cc2ccccc2)CCC[NH2+]1	ZINC000662941545	804590247	/nfs/dbraw/zinc/59/02/47/804590247.db2.gz	XJMIOQYZIIZHEI-TZIWHRDSSA-N	1	0	356.514	1.617	20	30		FDEDRO
C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1	ZINC001027502589	804710494	/nfs/dbraw/zinc/71/04/94/804710494.db2.gz	XPVQDONNHXCSNW-OTWHNJEPSA-N	1	0	365.518	1.365	20	30		FDEDRO
C#CCC[N@H+]1C[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C(C)(C)C1	ZINC000977302216	804725389	/nfs/dbraw/zinc/72/53/89/804725389.db2.gz	JYCRSBUCXTZTOI-JENIJYKNSA-N	1	0	368.481	1.451	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ocnc1CC)C2	ZINC001112526797	804817782	/nfs/dbraw/zinc/81/77/82/804817782.db2.gz	XGJLJJJFYSXDTJ-LIRRHRJNSA-N	1	0	360.458	1.371	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]2CN(C)C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC000977584626	804856658	/nfs/dbraw/zinc/85/66/58/804856658.db2.gz	LZMFEGMKZJLHDS-IXDOHACOSA-N	1	0	357.458	1.290	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1	ZINC000663013806	804883408	/nfs/dbraw/zinc/88/34/08/804883408.db2.gz	ARKIWQRZKMEPKP-HOTGVXAUSA-N	1	0	361.490	1.507	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)CCN1C(=O)c2ccccc2C1=O	ZINC000178457018	805073489	/nfs/dbraw/zinc/07/34/89/805073489.db2.gz	OJZWQUZZXZWBDU-OAHLLOKOSA-N	1	0	356.422	1.950	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@H](C)C(=O)NC)C2)c1	ZINC001112527119	805100751	/nfs/dbraw/zinc/10/07/51/805100751.db2.gz	OIRWXPYPWLGBAQ-LIVBEALHSA-N	1	0	354.454	1.029	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1	ZINC000504072719	815051986	/nfs/dbraw/zinc/05/19/86/815051986.db2.gz	DGFWXRLEMWLVRM-SFHVURJKSA-N	1	0	373.497	1.953	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1c1ccccc1	ZINC001211674726	805156262	/nfs/dbraw/zinc/15/62/62/805156262.db2.gz	HVMVIIXTCQSSSZ-WAOWUJCRSA-N	1	0	371.481	1.299	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2cccc(C(N)=O)c2)C1	ZINC001027586255	805192820	/nfs/dbraw/zinc/19/28/20/805192820.db2.gz	YRJWUVFORZZPDF-OTWHNJEPSA-N	1	0	371.481	1.799	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCO[C@H]3c3cnn(C)c3)[C@@H]2C1	ZINC000978280102	805333451	/nfs/dbraw/zinc/33/34/51/805333451.db2.gz	IXMZIJYULOOUMU-QQXKLLMISA-N	1	0	356.470	1.205	20	30		FDEDRO
CCC(CC)(CNC(=O)NCC(=O)NCC#N)[NH2+][C@H](C)c1ccccc1	ZINC000511920205	805381272	/nfs/dbraw/zinc/38/12/72/805381272.db2.gz	CBDVYEKSEIHPAC-OAHLLOKOSA-N	1	0	359.474	1.835	20	30		FDEDRO
CC(C)Cc1ccc([C@H](CNC(=O)NCC(=O)NCC#N)[NH+](C)C)cc1	ZINC000511923197	805400870	/nfs/dbraw/zinc/40/08/70/805400870.db2.gz	PDLWQCVDFXBSLJ-KRWDZBQOSA-N	1	0	359.474	1.427	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)C12CCC[NH+]1CCC2	ZINC000978421862	805452222	/nfs/dbraw/zinc/45/22/22/805452222.db2.gz	PWFGEVXRYQSSNF-ZACQAIPSSA-N	1	0	361.486	1.265	20	30		FDEDRO
CC[NH2+][C@H](C)CNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000418595805	807029318	/nfs/dbraw/zinc/02/93/18/807029318.db2.gz	XEFSRSAPHNTLSG-CYBMUJFWSA-N	1	0	372.429	1.636	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1	ZINC001087429967	807032770	/nfs/dbraw/zinc/03/27/70/807032770.db2.gz	NQVVAGBARNXLJM-SJLPKXTDSA-N	1	0	352.438	1.554	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1	ZINC000423533043	815105612	/nfs/dbraw/zinc/10/56/12/815105612.db2.gz	WMFQWOZCLHZKHQ-VHPHOLNESA-N	1	0	366.465	1.480	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C2CC2)cc1	ZINC000423555530	815132659	/nfs/dbraw/zinc/13/26/59/815132659.db2.gz	BAXUICOANPEZNT-UHFFFAOYSA-N	1	0	366.465	1.651	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cn(CC3CC3)nn2)C[C@H]1c1ccccc1	ZINC001211697254	807628448	/nfs/dbraw/zinc/62/84/48/807628448.db2.gz	YZWAWOKQKCWMJV-RBUKOAKNSA-N	1	0	363.465	1.909	20	30		FDEDRO
CC1CC[NH+](CC(=O)N[C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)CC1	ZINC000981175686	807650247	/nfs/dbraw/zinc/65/02/47/807650247.db2.gz	SNQZZVPAUIARLF-JKSUJKDBSA-N	1	0	371.485	1.633	20	30		FDEDRO
CC(C)(C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1)[NH+]1CCCC1	ZINC000981177713	807655125	/nfs/dbraw/zinc/65/51/25/807655125.db2.gz	HNYIRWGCQDTYLC-LSDHHAIUSA-N	1	0	371.485	1.775	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1	ZINC000981179204	807657115	/nfs/dbraw/zinc/65/71/15/807657115.db2.gz	CPXRIQNHGUUAOG-QLFBSQMISA-N	1	0	357.458	1.243	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N[C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)CC1	ZINC000981179555	807658894	/nfs/dbraw/zinc/65/88/94/807658894.db2.gz	XYCWTGKOSVCCHN-JKSUJKDBSA-N	1	0	371.485	1.633	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](C[C@@H]2CCNC(=O)CC2)CC1	ZINC000981190095	807688941	/nfs/dbraw/zinc/68/89/41/807688941.db2.gz	PQUIHXLWSOPLBF-KSZLIROESA-N	1	0	363.502	1.418	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1	ZINC000981376152	807976184	/nfs/dbraw/zinc/97/61/84/807976184.db2.gz	JSZMKBCSONUPRM-FFZOFVMBSA-N	1	0	367.493	1.563	20	30		FDEDRO
CCc1ccc([C@@H](CNC(=O)NCC(=O)NCC#N)[NH+](CC)CC)cc1	ZINC000432449765	808239181	/nfs/dbraw/zinc/23/91/81/808239181.db2.gz	NOBJDEDPZLPJAO-QGZVFWFLSA-N	1	0	359.474	1.571	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1	ZINC000423702811	815206797	/nfs/dbraw/zinc/20/67/97/815206797.db2.gz	ZAEGPNQTBDNMDA-BMGDILEWSA-N	1	0	370.453	1.186	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)cc1	ZINC000981869819	808677193	/nfs/dbraw/zinc/67/71/93/808677193.db2.gz	KKARQIIKQSKMIO-QXAKKESOSA-N	1	0	353.466	1.777	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCN(C(=O)CC)C2)C[C@H]1c1ccccc1	ZINC001211702837	808823387	/nfs/dbraw/zinc/82/33/87/808823387.db2.gz	HABLHMHWRJXGMS-SLFFLAALSA-N	1	0	367.493	1.852	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccnc(F)c4)[C@@H]3C2)C1=O	ZINC001075605372	808878311	/nfs/dbraw/zinc/87/83/11/808878311.db2.gz	ZVEAFMVDWVXIMR-ARFHVFGLSA-N	1	0	358.417	1.154	20	30		FDEDRO
Cn1nccc1C(=O)N1CC[C@H]2CN(Cc3ccc(C#N)c(F)c3)C[C@H]21	ZINC001075607442	808922348	/nfs/dbraw/zinc/92/23/48/808922348.db2.gz	AYJNUKSHLCYSTM-MAUKXSAKSA-N	1	0	353.401	1.777	20	30		FDEDRO
COc1cccc(C(=O)N2CCC([NH2+][C@@H](CC(C)C)C(=O)NO)CC2)c1	ZINC001167868531	808922764	/nfs/dbraw/zinc/92/27/64/808922764.db2.gz	ZHZPQVXCIGXTID-KRWDZBQOSA-N	1	0	363.458	1.810	20	30		FDEDRO
N#CCCn1cc(C[N@H+]2CCC[C@@H](OCCO)C2)c(-c2ccncc2)n1	ZINC000279328996	808925333	/nfs/dbraw/zinc/92/53/33/808925333.db2.gz	CNDAWXXDMRAOHE-GOSISDBHSA-N	1	0	355.442	1.832	20	30		FDEDRO
C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC001028193624	808957865	/nfs/dbraw/zinc/95/78/65/808957865.db2.gz	WZFCDVDSCZDTAJ-JENIJYKNSA-N	1	0	356.470	1.758	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCN1Cc1c(C)nnn1CC	ZINC001028195307	808972309	/nfs/dbraw/zinc/97/23/09/808972309.db2.gz	MZACKWBXCRTYFO-RYRKJORJSA-N	1	0	361.490	1.668	20	30		FDEDRO
Cc1nc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(OCC#N)cc4)C[C@H]32)c[nH]1	ZINC001075620052	809122114	/nfs/dbraw/zinc/12/21/14/809122114.db2.gz	XILOCNINCQFROG-QFBILLFUSA-N	1	0	365.437	1.967	20	30		FDEDRO
C[C@@H](CCC[NH3+])NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000418704524	809149399	/nfs/dbraw/zinc/14/93/99/809149399.db2.gz	NBDARZGDJCTESZ-ZDUSSCGKSA-N	1	0	372.429	1.765	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1c1ccccc1	ZINC001211720917	809274497	/nfs/dbraw/zinc/27/44/97/809274497.db2.gz	SKVFEOSDHMTGNM-DLBZAZTESA-N	1	0	370.453	1.089	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C(=O)Nc2cc(C)on2)C[C@H]1c1ccccc1	ZINC001211722700	809308419	/nfs/dbraw/zinc/30/84/19/809308419.db2.gz	LDYGGLNUHHMDFK-DLBZAZTESA-N	1	0	366.421	1.529	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1	ZINC000418922820	809317825	/nfs/dbraw/zinc/31/78/25/809317825.db2.gz	NCPBALWFIDHNMY-IBGZPJMESA-N	1	0	372.494	1.120	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1	ZINC000261680526	809514038	/nfs/dbraw/zinc/51/40/38/809514038.db2.gz	QMXBSWZDWKIOQO-DMRKSPOLSA-N	1	0	362.518	1.756	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N[C@@H]1CCc2nc(C)nn2C1	ZINC000261686460	809573261	/nfs/dbraw/zinc/57/32/61/809573261.db2.gz	RGZJMYZRDJIXHV-WTTBNOFXSA-N	1	0	358.490	1.414	20	30		FDEDRO
C[NH+]=C(NC[C@]1(O)CCc2ccccc21)N1CCN(c2ccccn2)CC1	ZINC000261687914	809639517	/nfs/dbraw/zinc/63/95/17/809639517.db2.gz	KMZMPDVGZPAAHZ-OAQYLSRUSA-N	1	0	365.481	1.613	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NCc1cccc(NC(=O)Cn2cccn2)c1	ZINC000424099968	815307378	/nfs/dbraw/zinc/30/73/78/815307378.db2.gz	JUWZRXVHHAEHGZ-INIZCTEOSA-N	1	0	354.414	1.159	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)C1	ZINC001087442287	809686573	/nfs/dbraw/zinc/68/65/73/809686573.db2.gz	APSOFVGFWNSXTF-AQNXPRMDSA-N	1	0	371.481	1.394	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1	ZINC001087442925	809768232	/nfs/dbraw/zinc/76/82/32/809768232.db2.gz	JJYODKIKDWKILY-IEBWSBKVSA-N	1	0	364.449	1.392	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CN2C(=O)CNC2=O)C1	ZINC001087443161	809770399	/nfs/dbraw/zinc/77/03/99/809770399.db2.gz	YAQKWZSQORNCGW-IAGOWNOFSA-N	1	0	370.453	1.089	20	30		FDEDRO
COC(=O)[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)[C@@H]([NH3+])CCCC#N	ZINC000424156901	815319981	/nfs/dbraw/zinc/31/99/81/815319981.db2.gz	RMTGMPAPDKMVGS-GOEBONIOSA-N	1	0	360.389	1.528	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H](C)N2CCOCC2)C1	ZINC001087447662	809884661	/nfs/dbraw/zinc/88/46/61/809884661.db2.gz	SHBGUQHFUGXKSO-DFQSSKMNSA-N	1	0	357.498	1.867	20	30		FDEDRO
C[N@H+]1C[C@H]2CN(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C[C@H]2C1	ZINC000894098335	809935000	/nfs/dbraw/zinc/93/50/00/809935000.db2.gz	GWUICYAASVFFNE-SOLBZPMBSA-N	1	0	367.453	1.257	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCN(C)C2=O)C[C@H]1C(F)(F)F	ZINC001112119287	809955309	/nfs/dbraw/zinc/95/53/09/809955309.db2.gz	NMLNGUVMKGOVFZ-MGPQQGTHSA-N	1	0	361.408	1.800	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)C[C@H]1c1ccccc1	ZINC001211743238	809960167	/nfs/dbraw/zinc/96/01/67/809960167.db2.gz	AHNWMNXEVQTPIJ-FGTMMUONSA-N	1	0	369.465	1.590	20	30		FDEDRO
C=C(CNC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1)c1ccccc1	ZINC000512678025	810046107	/nfs/dbraw/zinc/04/61/07/810046107.db2.gz	ODQXYFBHFBSGLH-UHFFFAOYSA-N	1	0	358.486	1.895	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cn2ncnn2)C1	ZINC001087455401	810063260	/nfs/dbraw/zinc/06/32/60/810063260.db2.gz	SXFDLJWLFGFIAL-IAGOWNOFSA-N	1	0	358.421	1.363	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCc3nnc(N4CCCC4)cc3C2)CC1	ZINC000664019142	810172812	/nfs/dbraw/zinc/17/28/12/810172812.db2.gz	HGBUHMKNLOAAEG-UHFFFAOYSA-N	1	0	370.501	1.795	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCNC2=O)C1	ZINC001087457230	810182558	/nfs/dbraw/zinc/18/25/58/810182558.db2.gz	OXSBQVFBZFJNJU-KZNAEPCWSA-N	1	0	357.429	1.259	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ncn([C@H]2CCC[NH2+]C2)n1	ZINC000433402505	810510997	/nfs/dbraw/zinc/51/09/97/810510997.db2.gz	YAMHEZJICJBDOT-INIZCTEOSA-N	1	0	370.413	1.939	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@]3(C)CN(C(=O)[C@@H]4C[C@H]4C4CC4)C[C@@]3(C)C2)C1=O	ZINC000982634531	810668537	/nfs/dbraw/zinc/66/85/37/810668537.db2.gz	MHVPZBIIBKDZNW-LTVPFWMLSA-N	1	0	371.525	1.990	20	30		FDEDRO
CC#CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2COCCO2)C1	ZINC001087462517	810810392	/nfs/dbraw/zinc/81/03/92/810810392.db2.gz	MYKDMBWWNRCLLK-QRVBRYPASA-N	1	0	360.429	1.539	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCC(=O)N2)C1	ZINC001087463766	811110763	/nfs/dbraw/zinc/11/07/63/811110763.db2.gz	ZWGMVHSXLPWMJH-KZNAEPCWSA-N	1	0	359.445	1.955	20	30		FDEDRO
C=CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCC(=O)N2)C1	ZINC001087463678	811114281	/nfs/dbraw/zinc/11/42/81/811114281.db2.gz	WGNFDTGJMNTVEO-KZNAEPCWSA-N	1	0	359.445	1.955	20	30		FDEDRO
C=CCCn1cc(C(=O)Nc2ccc(OC[C@H](O)C[NH+](C)C)cc2)nn1	ZINC000424707980	815423469	/nfs/dbraw/zinc/42/34/69/815423469.db2.gz	DIIKCCUYKMQEML-OAHLLOKOSA-N	1	0	359.430	1.408	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)nn1	ZINC000424746736	815425608	/nfs/dbraw/zinc/42/56/08/815425608.db2.gz	FCIKCZJSZLBKOO-SJORKVTESA-N	1	0	355.442	1.219	20	30		FDEDRO
CCc1ccc(CC[N@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)cc1	ZINC001083390278	811176980	/nfs/dbraw/zinc/17/69/80/811176980.db2.gz	JRYSKNZUNGYOSZ-MOPGFXCFSA-N	1	0	352.438	1.466	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCc4ccc(F)cc43)C[C@@H]2O)c1	ZINC001083392392	811207519	/nfs/dbraw/zinc/20/75/19/811207519.db2.gz	FXIGKKXKOTYAKP-QRVBRYPASA-N	1	0	368.412	1.878	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCOc2ccccc21)N1CCO[C@H](c2cnn(C)c2)C1	ZINC000261783815	811319323	/nfs/dbraw/zinc/31/93/23/811319323.db2.gz	POWIEUMABMTSRA-KXBFYZLASA-N	1	0	369.469	1.935	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N1CC[C@@H](Oc2ccccn2)C1	ZINC000261940080	811348202	/nfs/dbraw/zinc/34/82/02/811348202.db2.gz	DIUVGKBLKJFWDU-HZPDHXFCSA-N	1	0	369.473	1.273	20	30		FDEDRO
Cc1nnc(CNC(N[C@@H]2CCCN(c3ccccc3)C2)=[NH+]C2CC2)n1C	ZINC000261942665	811349250	/nfs/dbraw/zinc/34/92/50/811349250.db2.gz	DVFQZCPCAFVHOC-QGZVFWFLSA-N	1	0	367.501	1.990	20	30		FDEDRO
Cc1nnc(CNC(=[NH+]C2CC2)N2CC[C@H](C)[C@H](n3ccnc3)C2)n1C	ZINC000261955846	811352298	/nfs/dbraw/zinc/35/22/98/811352298.db2.gz	ISAJHVLCKKFTLK-XJKSGUPXSA-N	1	0	356.478	1.511	20	30		FDEDRO
C[NH+]=C(NCc1nnc(C)n1C)N[C@@H]1CCN(c2cccc(OC)c2)C1	ZINC000261980223	811359968	/nfs/dbraw/zinc/35/99/68/811359968.db2.gz	OSPKYSULBVQFRT-CQSZACIVSA-N	1	0	357.462	1.076	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000982826375	811381058	/nfs/dbraw/zinc/38/10/58/811381058.db2.gz	HBXVBDZZDFGXJY-XOKHGSTOSA-N	1	0	357.458	1.195	20	30		FDEDRO
C[C@@H]1CCCC[C@@H]1[NH+]=C(NCC(=O)N(C)C)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000262248176	811423223	/nfs/dbraw/zinc/42/32/23/811423223.db2.gz	BHODRRKSKUWOAK-NUJGCVRESA-N	1	0	374.533	1.822	20	30		FDEDRO
[NH2+]=C(NC[C@H]1CCC2(CCCCC2)O1)N1CCN(c2ncccn2)CC1	ZINC000262331374	811443469	/nfs/dbraw/zinc/44/34/69/811443469.db2.gz	FITGUUPVUIJGHO-MRXNPFEDSA-N	1	0	358.490	1.795	20	30		FDEDRO
C[C@@H]1C[C@H]([NH+]=C(NCC(=O)N(C)C)N[C@H]2CCc3ccccc3C2)CCO1	ZINC000262340103	811445705	/nfs/dbraw/zinc/44/57/05/811445705.db2.gz	WVHRQEPDGDDRBX-AYOQOUSVSA-N	1	0	372.513	1.735	20	30		FDEDRO
C[NH+]=C(NCC(=O)Nc1cccc(F)c1)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000262479873	811475722	/nfs/dbraw/zinc/47/57/22/811475722.db2.gz	RDBQTPLUIUYAMC-CYBMUJFWSA-N	1	0	358.421	1.563	20	30		FDEDRO
CC[NH+]=C(NCc1nnc2n1CCCC2)N1CC[C@H](c2cnn(C)c2)C1	ZINC000262506180	811480057	/nfs/dbraw/zinc/48/00/57/811480057.db2.gz	ZWWKXKRRAIEDNZ-AWEZNQCLSA-N	1	0	356.478	1.303	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCCNC2=O)C1	ZINC001087465431	811483833	/nfs/dbraw/zinc/48/38/33/811483833.db2.gz	OSVMFPVHJTUUPT-FGTMMUONSA-N	1	0	359.445	1.812	20	30		FDEDRO
N#CCN1CCC([NH2+]Cc2sc(N3CCOCC3)nc2Cl)CC1	ZINC000894234176	811651328	/nfs/dbraw/zinc/65/13/28/811651328.db2.gz	RILFJQZPSNNGBJ-UHFFFAOYSA-N	1	0	355.895	1.711	20	30		FDEDRO
C=CCn1cc(CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)nn1	ZINC000424910398	815468774	/nfs/dbraw/zinc/46/87/74/815468774.db2.gz	ZRIQCLQREPDENR-UHFFFAOYSA-N	1	0	354.458	1.293	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)C2)CC1	ZINC000280144002	811726131	/nfs/dbraw/zinc/72/61/31/811726131.db2.gz	AHGVGFWLGIBNHO-WOJBJXKFSA-N	1	0	365.481	1.479	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1	ZINC000982874736	811817713	/nfs/dbraw/zinc/81/77/13/811817713.db2.gz	QHIYRFBLEUVSAM-IKGGRYGDSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CC2CCOCC2)C[C@H]1C	ZINC001104018307	811871673	/nfs/dbraw/zinc/87/16/73/811871673.db2.gz	OPVFZDLGKQFGBX-JFIYKMOQSA-N	1	0	363.502	1.015	20	30		FDEDRO
Cc1oc(C#N)cc1C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1	ZINC000280623224	811874421	/nfs/dbraw/zinc/87/44/21/811874421.db2.gz	LGBHAYFOBKJJKZ-UHFFFAOYSA-N	1	0	354.410	1.681	20	30		FDEDRO
CC[NH+]=C(NCc1cccc(C)c1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1	ZINC000261805251	811879669	/nfs/dbraw/zinc/87/96/69/811879669.db2.gz	RXYXXAZEWSOOGX-FQEVSTJZSA-N	1	0	371.485	1.771	20	30		FDEDRO
C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@H](CCC#N)c1ccccc1	ZINC000419479689	811971745	/nfs/dbraw/zinc/97/17/45/811971745.db2.gz	VBSYOACSFKSDCG-IMJJTQAJSA-N	1	0	358.442	1.377	20	30		FDEDRO
N#Cc1ccccc1-c1ccc(CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)cc1	ZINC000419648765	812073213	/nfs/dbraw/zinc/07/32/13/812073213.db2.gz	RZXIZJVIODJPIE-GOSISDBHSA-N	1	0	362.433	1.791	20	30		FDEDRO
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)NCCC[NH2+]C1CC1	ZINC000419848153	812230051	/nfs/dbraw/zinc/23/00/51/812230051.db2.gz	TTWFEGJNONMALG-ROUUACIJSA-N	1	0	354.454	1.543	20	30		FDEDRO
C=CCCCCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1	ZINC000419900553	812281514	/nfs/dbraw/zinc/28/15/14/812281514.db2.gz	SPDDPPAPQSJNQO-MSOLQXFVSA-N	1	0	359.470	1.729	20	30		FDEDRO
CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000419955569	812302019	/nfs/dbraw/zinc/30/20/19/812302019.db2.gz	NOOFGUNBMHAEEN-INIZCTEOSA-N	1	0	372.469	1.418	20	30		FDEDRO
Cc1cc(C(=O)NC[C@](C)(O)CC[NH+](C)C)nn1-c1cccc(C#N)c1	ZINC000420010515	813397053	/nfs/dbraw/zinc/39/70/53/813397053.db2.gz	HAVFWIUVZNDVFI-LJQANCHMSA-N	1	0	355.442	1.485	20	30		FDEDRO
N#Cc1cccc(OC2CCN(C(=O)C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2)c1	ZINC000420185881	813519539	/nfs/dbraw/zinc/51/95/39/813519539.db2.gz	BZOGLHRBUHZOHK-JKSUJKDBSA-N	1	0	370.453	1.172	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CC[NH2+][C@@H](C(N)=O)c1ccc(F)cc1	ZINC001104174250	813710050	/nfs/dbraw/zinc/71/00/50/813710050.db2.gz	KZJLHWXVNBNZAJ-WIBUTAKZSA-N	1	0	371.456	1.840	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1	ZINC000422101246	814390043	/nfs/dbraw/zinc/39/00/43/814390043.db2.gz	FJQRTENEHJAAGV-UHFFFAOYSA-N	1	0	364.534	1.430	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1	ZINC000422091536	814400017	/nfs/dbraw/zinc/40/00/17/814400017.db2.gz	JOZKQWHDUJMUGP-QZTJIDSGSA-N	1	0	355.482	1.891	20	30		FDEDRO
COc1cccc(C2([NH2+]CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2)c1	ZINC000271732023	814466452	/nfs/dbraw/zinc/46/64/52/814466452.db2.gz	STRYHDXECONPKP-IBGZPJMESA-N	1	0	370.497	1.966	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)[C@H]2C1	ZINC000272311120	814644655	/nfs/dbraw/zinc/64/46/55/814644655.db2.gz	IUMMWJRIYQITIC-YOEHRIQHSA-N	1	0	354.454	1.979	20	30		FDEDRO
N#CCCCNC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000273072569	814787018	/nfs/dbraw/zinc/78/70/18/814787018.db2.gz	JOJUDATWSPSRKW-KRWDZBQOSA-N	1	0	357.458	1.487	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1	ZINC000422211939	814802031	/nfs/dbraw/zinc/80/20/31/814802031.db2.gz	QAZIMKGUZXIKMJ-MOPGFXCFSA-N	1	0	364.534	1.922	20	30		FDEDRO
C[C@@H]1CC[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)O1	ZINC000422468895	814820802	/nfs/dbraw/zinc/82/08/02/814820802.db2.gz	TYHCIEVPEXOZEO-QAPCUYQASA-N	1	0	372.469	1.132	20	30		FDEDRO
CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000473555859	814919400	/nfs/dbraw/zinc/91/94/00/814919400.db2.gz	SHNZCYWQJVNLHZ-IBGZPJMESA-N	1	0	368.481	1.849	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](CCO[C@H]4CC4(F)F)C[C@H]32)c[nH]1	ZINC001075709385	815766433	/nfs/dbraw/zinc/76/64/33/815766433.db2.gz	HQCOIDSWJDSERM-GLQYFDAESA-N	1	0	350.369	1.457	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCN(C5CCC5)C4=O)C[C@H]32)c[nH]1	ZINC001075709467	815766465	/nfs/dbraw/zinc/76/64/65/815766465.db2.gz	IZYDSAPGHGPUFZ-MORSLUCNSA-N	1	0	367.453	1.186	20	30		FDEDRO
C[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)C1	ZINC001028807992	815771255	/nfs/dbraw/zinc/77/12/55/815771255.db2.gz	YLVVHGBVZRQYGB-SUMDDJOVSA-N	1	0	357.454	1.952	20	30		FDEDRO
COc1cncc(CN2C[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)n1	ZINC001075709999	815775731	/nfs/dbraw/zinc/77/57/31/815775731.db2.gz	VYTNELIKDWDDRB-BLLLJJGKSA-N	1	0	352.398	1.031	20	30		FDEDRO
C=CCN(C(=O)C[C@@H]1CSCC[NH2+]1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000434874398	815820237	/nfs/dbraw/zinc/82/02/37/815820237.db2.gz	BKLCVPSHHQPFHH-GOEBONIOSA-N	1	0	372.498	1.833	20	30		FDEDRO
Cc1cc(NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c(C#N)cn1	ZINC000425226612	815822562	/nfs/dbraw/zinc/82/25/62/815822562.db2.gz	NHQKTGSEZNKFMW-GOSISDBHSA-N	1	0	363.465	1.993	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)c3c(F)cc(C#N)cc3F)CC2)C1=O	ZINC000425304846	815962969	/nfs/dbraw/zinc/96/29/69/815962969.db2.gz	HTSSFFUHKKOSOA-HNNXBMFYSA-N	1	0	362.380	1.261	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@@H]1CCN(C(=O)c2ccccc2)C1	ZINC000514800005	815989311	/nfs/dbraw/zinc/98/93/11/815989311.db2.gz	ABBUPLDPGYGHGQ-HNNXBMFYSA-N	1	0	366.469	1.890	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1	ZINC000505679349	816024588	/nfs/dbraw/zinc/02/45/88/816024588.db2.gz	VUDORJSJGRUOFT-INIZCTEOSA-N	1	0	358.486	1.496	20	30		FDEDRO
C[C@@H](NC(=O)c1cn(CCCC#N)c2ccccc12)C(=O)NCC[NH+](C)C	ZINC000515189171	816136545	/nfs/dbraw/zinc/13/65/45/816136545.db2.gz	AQMRLRQUUUUDAF-OAHLLOKOSA-N	1	0	369.469	1.741	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C1	ZINC001028855589	816231617	/nfs/dbraw/zinc/23/16/17/816231617.db2.gz	HUMTWTCEBURPGT-LNLFQRSKSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCc2ccnn2C)C1	ZINC001028855999	816248527	/nfs/dbraw/zinc/24/85/27/816248527.db2.gz	UHMTWRXWJVLJLZ-NEWSRXKRSA-N	1	0	360.502	1.772	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC(=O)NC2CCCC2)C1	ZINC001028863849	816321052	/nfs/dbraw/zinc/32/10/52/816321052.db2.gz	DXMLBWRATNIKON-IEZWGBDMSA-N	1	0	363.502	1.465	20	30		FDEDRO
Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH+](CCO)CCO)c1C#N	ZINC000436207931	816366775	/nfs/dbraw/zinc/36/67/75/816366775.db2.gz	YGIAKTYXYJTIJW-UHFFFAOYSA-N	1	0	374.441	1.233	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1	ZINC000505792854	816425344	/nfs/dbraw/zinc/42/53/44/816425344.db2.gz	MMGPSBLJTGOKGQ-UHFFFAOYSA-N	1	0	355.442	1.751	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CCCN1C(=O)c2ccccc2C1=O	ZINC000425555858	816517392	/nfs/dbraw/zinc/51/73/92/816517392.db2.gz	ZRBXARWIYJCGMM-AWEZNQCLSA-N	1	0	368.437	1.555	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCC[C@@H](C(N)=O)C1	ZINC000469318764	816693341	/nfs/dbraw/zinc/69/33/41/816693341.db2.gz	OVFQLXZKPOFDNZ-MSOLQXFVSA-N	1	0	356.470	1.740	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1nnc2n1c1ccc(C)cc1c(=O)n2C	ZINC000516714669	816975850	/nfs/dbraw/zinc/97/58/50/816975850.db2.gz	HZKGKLKJHAUPIW-ZBFHGGJFSA-N	1	0	353.426	1.713	20	30		FDEDRO
C=CCn1cc(CNC(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)nn1	ZINC000425794856	817034947	/nfs/dbraw/zinc/03/49/47/817034947.db2.gz	DECSKXNELXGIBP-KRWDZBQOSA-N	1	0	368.441	1.268	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C	ZINC000425797093	817051857	/nfs/dbraw/zinc/05/18/57/817051857.db2.gz	UDWWUZOWYGHJLG-QGTPRVQTSA-N	1	0	357.454	1.881	20	30		FDEDRO
CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1	ZINC000425808692	817106515	/nfs/dbraw/zinc/10/65/15/817106515.db2.gz	VDZFSUFCNAYJCH-UONOGXRCSA-N	1	0	358.446	1.287	20	30		FDEDRO
CN1CCO[C@H](CSCC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000517029276	817176574	/nfs/dbraw/zinc/17/65/74/817176574.db2.gz	FGIXYTCPLBDEDT-INIZCTEOSA-N	1	0	371.466	1.746	20	30		FDEDRO
C=CCn1cc(CNC(=O)N(CC[NH+](C)C)Cc2ccccc2F)nn1	ZINC000425868128	817249511	/nfs/dbraw/zinc/24/95/11/817249511.db2.gz	DCHKCHJKPOXXIZ-UHFFFAOYSA-N	1	0	360.437	1.877	20	30		FDEDRO
C[NH+]=C(NCC(=O)Nc1ccc(F)c(F)c1F)N1CC[C@@]2(CCOC2)C1	ZINC000261947051	817274557	/nfs/dbraw/zinc/27/45/57/817274557.db2.gz	GFTPCJNRESVBTP-QGZVFWFLSA-N	1	0	370.375	1.730	20	30		FDEDRO
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)C(=O)NC2C[NH2+]C2)cc1	ZINC000517226015	817341346	/nfs/dbraw/zinc/34/13/46/817341346.db2.gz	BESCJTGNIHMVRU-UHFFFAOYSA-N	1	0	366.396	1.314	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1	ZINC000425910144	817363990	/nfs/dbraw/zinc/36/39/90/817363990.db2.gz	UADQQOJRYGPJFF-IKJBURDNSA-N	1	0	363.502	1.417	20	30		FDEDRO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1	ZINC000425909978	817365239	/nfs/dbraw/zinc/36/52/39/817365239.db2.gz	SAOOTSMZBRUAKW-HOTGVXAUSA-N	1	0	356.470	1.926	20	30		FDEDRO
C[NH+]=C(NCc1ccc(CN2CCCC2=O)cc1)N1CC[C@@]2(CCOC2)C1	ZINC000261950175	817541173	/nfs/dbraw/zinc/54/11/73/817541173.db2.gz	HDCGTSZPUSBBMX-OAQYLSRUSA-N	1	0	370.497	1.997	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)NCC2(COC)CC[NH2+]CC2)cc1	ZINC000414943361	817676460	/nfs/dbraw/zinc/67/64/60/817676460.db2.gz	CXCVOPABEHANIF-UHFFFAOYSA-N	1	0	360.458	1.740	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@]2(C)CCNC2=O)C1	ZINC001087467641	817891089	/nfs/dbraw/zinc/89/10/89/817891089.db2.gz	HVZCQGSJDFSTQX-DBXWQHBBSA-N	1	0	371.456	1.649	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)C1	ZINC000473702101	818194939	/nfs/dbraw/zinc/19/49/39/818194939.db2.gz	RVWIOMBPJLTODO-KRWDZBQOSA-N	1	0	358.442	1.456	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C[C@@H]2CCNC2=O)C1	ZINC001087474588	818268204	/nfs/dbraw/zinc/26/82/04/818268204.db2.gz	NXGLKCCFBIRRIU-WDSOQIARSA-N	1	0	371.481	1.682	20	30		FDEDRO
C#CCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2csnn2)C1	ZINC001087475076	818297602	/nfs/dbraw/zinc/29/76/02/818297602.db2.gz	PNPQOWXIDPHJIZ-HOTGVXAUSA-N	1	0	356.451	1.768	20	30		FDEDRO
CCn1nncc1C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001075764023	818300110	/nfs/dbraw/zinc/30/01/10/818300110.db2.gz	BPJAMUWPEKQZRT-FUHWJXTLSA-N	1	0	350.426	1.516	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)C1	ZINC001087475347	818316428	/nfs/dbraw/zinc/31/64/28/818316428.db2.gz	CKJGVFUQKYYDOH-WFXMLNOXSA-N	1	0	371.481	1.824	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)[C@H](C)OC)CC1	ZINC000983650263	818367154	/nfs/dbraw/zinc/36/71/54/818367154.db2.gz	BSFLDDIVXDBYND-RYRKJORJSA-N	1	0	363.502	1.110	20	30		FDEDRO
CC#CCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)Cn2cncn2)C1	ZINC001087476297	818373545	/nfs/dbraw/zinc/37/35/45/818373545.db2.gz	FAASLIQCDJVKRA-OALUTQOASA-N	1	0	367.453	1.284	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]Cc1cccc(C(N)=O)c1	ZINC001167986158	818794699	/nfs/dbraw/zinc/79/46/99/818794699.db2.gz	ZHSVYRLXHOBROJ-ROUUACIJSA-N	1	0	359.470	1.753	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C)cs4)[C@@H]3C2)C1=O	ZINC001075768434	818887112	/nfs/dbraw/zinc/88/71/12/818887112.db2.gz	NNIZBBLCBAVOHW-HRCADAONSA-N	1	0	359.495	1.990	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1	ZINC000983737018	818906428	/nfs/dbraw/zinc/90/64/28/818906428.db2.gz	PVKWSAOVCHSKEG-KMFMINBZSA-N	1	0	357.458	1.337	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC000937418311	819020417	/nfs/dbraw/zinc/02/04/17/819020417.db2.gz	XDRZGBPTHBSRAV-OKZBNKHCSA-N	1	0	371.485	1.728	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(C(F)(F)F)cnc2C#N)CC1	ZINC000334031569	819133162	/nfs/dbraw/zinc/13/31/62/819133162.db2.gz	LOQRJNLVNBVQJM-AWEZNQCLSA-N	1	0	367.375	1.715	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(C[N@@H+](C)CCCC)CC1	ZINC000425908643	819166005	/nfs/dbraw/zinc/16/60/05/819166005.db2.gz	JBBYNUCCYMODHH-ROUUACIJSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CC[N@@H+](CCCC(=O)NC(N)=O)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000520196056	819246305	/nfs/dbraw/zinc/24/63/05/819246305.db2.gz	VXGAUNXZNBWHLV-ZDUSSCGKSA-N	1	0	357.418	1.186	20	30		FDEDRO
Cc1nc(COc2ccc(C(=O)NC3(C#N)CC[NH+](C)CC3)cc2)no1	ZINC000520246381	819274926	/nfs/dbraw/zinc/27/49/26/819274926.db2.gz	FDURYQWNUCCXRO-UHFFFAOYSA-N	1	0	355.398	1.675	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC([C@@H](O)C(=O)OC)CC1	ZINC000441245722	819283183	/nfs/dbraw/zinc/28/31/83/819283183.db2.gz	MXFBLIDLKLFAOO-IEBWSBKVSA-N	1	0	363.454	1.401	20	30		FDEDRO
C=C[C@H](CO)NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2	ZINC000458880993	819481105	/nfs/dbraw/zinc/48/11/05/819481105.db2.gz	KWUAYJYHHIWKOS-RBUKOAKNSA-N	1	0	373.497	1.761	20	30		FDEDRO
CC1CC[NH+](C[C@@H](O)CNC(=O)c2cncc(N3CCOCC3)c2)CC1	ZINC000328832226	819560693	/nfs/dbraw/zinc/56/06/93/819560693.db2.gz	VJAXOFOCNOLVJG-SFHVURJKSA-N	1	0	362.474	1.316	20	30		FDEDRO
CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@@H]2CCn3ncc(C(N)=O)c3C2)C[C@H]1C	ZINC000328954191	819587642	/nfs/dbraw/zinc/58/76/42/819587642.db2.gz	YGNUHRFXPZVBCX-HZSPNIEDSA-N	1	0	362.478	1.657	20	30		FDEDRO
O=C(CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCCCC1	ZINC000328912514	819591766	/nfs/dbraw/zinc/59/17/66/819591766.db2.gz	PBCZDOIUCYAMPN-IAGOWNOFSA-N	1	0	366.506	1.270	20	30		FDEDRO
CC(C)NC(=O)CN1CCN(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1	ZINC000330483805	819617254	/nfs/dbraw/zinc/61/72/54/819617254.db2.gz	VPBOSVGSKASPFL-SJORKVTESA-N	1	0	367.538	1.163	20	30		FDEDRO
CC(=O)N1CCN(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)[C@@H](C)C1	ZINC000330500401	819621789	/nfs/dbraw/zinc/62/17/89/819621789.db2.gz	OPLQWQRXSGOFRI-LBPRGKRZSA-N	1	0	361.446	1.730	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)Cn2cccn2)CC[N@@H+]1Cc1cc(C#N)ccc1OC	ZINC001087502367	819635365	/nfs/dbraw/zinc/63/53/65/819635365.db2.gz	DLZBKYUHOZINRT-ZWKOTPCHSA-N	1	0	367.453	1.933	20	30		FDEDRO
C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@@H]1C[C@H](F)CN1c1ccncn1	ZINC000331008114	819660163	/nfs/dbraw/zinc/66/01/63/819660163.db2.gz	UKDDTYOENLZOAU-STQMWFEESA-N	1	0	366.441	1.154	20	30		FDEDRO
C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC[N@@H+]1C	ZINC000331280553	819673590	/nfs/dbraw/zinc/67/35/90/819673590.db2.gz	FIAFJTVGWXYQSL-RHSMWYFYSA-N	1	0	374.485	1.846	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc(C)nn3C)[C@H]2CC)C1=O	ZINC001087514344	820272896	/nfs/dbraw/zinc/27/28/96/820272896.db2.gz	QTDMCTUIEFUWIU-ARFHVFGLSA-N	1	0	359.474	1.098	20	30		FDEDRO
Cc1cnc(CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cn1	ZINC000459165213	820490907	/nfs/dbraw/zinc/49/09/07/820490907.db2.gz	RUHSRNIMMIQKTO-UHFFFAOYSA-N	1	0	366.469	1.973	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H](O)COC)C2)C1	ZINC001112162366	820712739	/nfs/dbraw/zinc/71/27/39/820712739.db2.gz	PSEKJGPBLAGJAP-JHJVBQTASA-N	1	0	350.381	1.329	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC000984080034	820737833	/nfs/dbraw/zinc/73/78/33/820737833.db2.gz	DEMPKKCDQRIYAU-VKJFTORMSA-N	1	0	371.485	1.728	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CCN1CCO	ZINC000428168885	820921152	/nfs/dbraw/zinc/92/11/52/820921152.db2.gz	WVDVRVLLXAIJPY-OAHLLOKOSA-N	1	0	369.421	1.869	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1(C)C	ZINC000508315699	820927833	/nfs/dbraw/zinc/92/78/33/820927833.db2.gz	IXPPGKNTZLJBLU-SFHVURJKSA-N	1	0	353.470	1.383	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087592470	821636088	/nfs/dbraw/zinc/63/60/88/821636088.db2.gz	NUWCNNHKLWLWBL-CEXWTWQISA-N	1	0	353.466	1.486	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCC(=O)NC2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087598930	821672912	/nfs/dbraw/zinc/67/29/12/821672912.db2.gz	GBKXCAMBGMWEAF-NZSAHSFTSA-N	1	0	368.481	1.944	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnc4n3CCC4)[C@H]2CC)C1=O	ZINC001087607250	821715074	/nfs/dbraw/zinc/71/50/74/821715074.db2.gz	UADDABZHSHCQMC-ARFHVFGLSA-N	1	0	371.485	1.199	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccnc2C)[C@@H]1CC	ZINC001087607300	821716011	/nfs/dbraw/zinc/71/60/11/821716011.db2.gz	WXIAOEDUFKXFHM-ZCNNSNEGSA-N	1	0	354.498	1.957	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC(=O)N2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087615265	821753189	/nfs/dbraw/zinc/75/31/89/821753189.db2.gz	LYMNHBSDRNXSLW-IPMKNSEASA-N	1	0	353.466	1.676	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cn[nH]n2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001087636480	821861427	/nfs/dbraw/zinc/86/14/27/821861427.db2.gz	STLKUWILPKJJLX-DOTOQJQBSA-N	1	0	354.414	1.490	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@]2(C)CNC(=O)C2)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087669043	821972190	/nfs/dbraw/zinc/97/21/90/821972190.db2.gz	PWDJLBONCVEFBK-DAYGRLMNSA-N	1	0	360.483	1.615	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1	ZINC000984267273	822062816	/nfs/dbraw/zinc/06/28/16/822062816.db2.gz	REKJHQALPXSJGP-KURKYZTESA-N	1	0	363.502	1.513	20	30		FDEDRO
C=C(Br)CN1CC[C@H](NC(=O)[C@]2(C)CCNC2=O)[C@H]1CC	ZINC001087722627	822211556	/nfs/dbraw/zinc/21/15/56/822211556.db2.gz	MJVGCIYVWRIWAM-YWPYICTPSA-N	1	0	358.280	1.390	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087775947	822414695	/nfs/dbraw/zinc/41/46/95/822414695.db2.gz	BVAXEZVSJKIRTC-FUHWJXTLSA-N	1	0	365.437	1.768	20	30		FDEDRO
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1	ZINC000895598453	822663923	/nfs/dbraw/zinc/66/39/23/822663923.db2.gz	FLVFSQGQUCTGDP-RBUKOAKNSA-N	1	0	372.444	1.255	20	30		FDEDRO
C[C@]1(C#N)CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCO1	ZINC000895595192	822667244	/nfs/dbraw/zinc/66/72/44/822667244.db2.gz	XEJJLSOUUOMNLW-FQEVSTJZSA-N	1	0	367.453	1.847	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cc(C)on4)C[C@@H]3C2)C1=O	ZINC001087876946	822686743	/nfs/dbraw/zinc/68/67/43/822686743.db2.gz	DGZOXOFENTXHMI-VYDXJSESSA-N	1	0	358.442	1.164	20	30		FDEDRO
C=CCN1CCC([NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1	ZINC000474359539	822734961	/nfs/dbraw/zinc/73/49/61/822734961.db2.gz	YILPLYPELACFCX-UHFFFAOYSA-N	1	0	363.414	1.887	20	30		FDEDRO
Cc1nnsc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C1	ZINC001087925392	823936946	/nfs/dbraw/zinc/93/69/46/823936946.db2.gz	KJQQQMXBLPFCKL-KGLIPLIRSA-N	1	0	356.455	1.640	20	30		FDEDRO
Cc1cc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]3C2)n1	ZINC001087941094	824038522	/nfs/dbraw/zinc/03/85/22/824038522.db2.gz	LYMYJOFRSJZRIU-AEFFLSMTSA-N	1	0	366.469	1.794	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CC[C@@H]2CC[C@H](C3OCCO3)O2)CC1	ZINC000896209144	824202315	/nfs/dbraw/zinc/20/23/15/824202315.db2.gz	VNSYGRKJRDPEFS-DLBZAZTESA-N	1	0	352.475	1.844	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2nn3c(c2Br)CCC3)CC1	ZINC000896208698	824202649	/nfs/dbraw/zinc/20/26/49/824202649.db2.gz	NONITCYVASSTEH-UHFFFAOYSA-N	1	0	353.264	1.972	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)C[C@@H]2C1	ZINC001087964237	824216131	/nfs/dbraw/zinc/21/61/31/824216131.db2.gz	CWPIVFGEXSEKHF-ZACQAIPSSA-N	1	0	371.485	1.509	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]cc3-c3cnn(C)c3)C[C@@H]2C1	ZINC001087965008	824220340	/nfs/dbraw/zinc/22/03/40/824220340.db2.gz	KRHGMFGFXAIZDD-WBVHZDCISA-N	1	0	351.454	1.832	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN(C(=O)C4CC4)C3)C[C@@H]2C1	ZINC001087977640	824326974	/nfs/dbraw/zinc/32/69/74/824326974.db2.gz	POEMBVNYJBGBOU-QYZOEREBSA-N	1	0	357.498	1.439	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cn4nccn4)C[C@@H]3C2)s1	ZINC001087980899	824348591	/nfs/dbraw/zinc/34/85/91/824348591.db2.gz	ZNQCYLABFMTBSH-KGLIPLIRSA-N	1	0	356.455	1.192	20	30		FDEDRO
C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H](c2n[nH]cc2CN2CCOCC2)C1	ZINC000329011587	824533505	/nfs/dbraw/zinc/53/35/05/824533505.db2.gz	ZYUBZQHLTGLGKI-CABCVRRESA-N	1	0	361.490	1.929	20	30		FDEDRO
C[C@H](NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)[C@H]1C[N@H+](C)CCN1C	ZINC000896560183	824567276	/nfs/dbraw/zinc/56/72/76/824567276.db2.gz	MSHFRGVQFZEAKK-KFKAGJAMSA-N	1	0	355.486	1.278	20	30		FDEDRO
C=CC[N@@H+](C)CCN(CC)[C@H](C)c1nc(N)nc(Nc2ccccc2)n1	ZINC000429700886	828664136	/nfs/dbraw/zinc/66/41/36/828664136.db2.gz	JKFOKSJYMDTEHS-OAHLLOKOSA-N	1	0	355.490	2.120	20	30		FDEDRO
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)N[C@H]1CCCc2c1cnn2C	ZINC000329105302	824590481	/nfs/dbraw/zinc/59/04/81/824590481.db2.gz	GZXVKIJBKUCTJV-KRWDZBQOSA-N	1	0	362.522	1.669	20	30		FDEDRO
Cn1nccc1[C@H]1[C@H](CNC(=O)[C@@H]2CCc3n[nH]nc3C2)CCC[N@@H+]1C	ZINC000329147292	824625951	/nfs/dbraw/zinc/62/59/51/824625951.db2.gz	XTAUKGXCIQQTKN-IIYDPXPESA-N	1	0	357.462	1.683	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)c3cn(-c4ccccc4)nn3)CC2)C1=O	ZINC000329189778	824654445	/nfs/dbraw/zinc/65/44/45/824654445.db2.gz	QUJWALSCTMFFKK-KRWDZBQOSA-N	1	0	368.441	1.267	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1	ZINC000329194184	824660817	/nfs/dbraw/zinc/66/08/17/824660817.db2.gz	SUMKAALKGPTQJW-KBXCAEBGSA-N	1	0	370.453	1.977	20	30		FDEDRO
O=C(CN1CCC[C@H](n2cncn2)C1)NC[C@H]1COc2ccccc2O1	ZINC000329207564	824666983	/nfs/dbraw/zinc/66/69/83/824666983.db2.gz	YKQZFTWHOLADKO-GJZGRUSLSA-N	1	0	357.414	1.712	20	30		FDEDRO
C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1	ZINC000329216190	824673427	/nfs/dbraw/zinc/67/34/27/824673427.db2.gz	OBFIPBAKBGSPJN-CABCVRRESA-N	1	0	366.506	1.137	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccn(C)c(=O)c2)C1	ZINC001029847107	828679175	/nfs/dbraw/zinc/67/91/75/828679175.db2.gz	OKLAURCBGNBIJB-KSZLIROESA-N	1	0	359.470	1.257	20	30		FDEDRO
O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000329247068	824693226	/nfs/dbraw/zinc/69/32/26/824693226.db2.gz	VZABMZTWXCJMML-CVEARBPZSA-N	1	0	363.506	1.655	20	30		FDEDRO
O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCN(Cc2cn3ccccc3n2)CC1	ZINC000329288928	824715385	/nfs/dbraw/zinc/71/53/85/824715385.db2.gz	IAJSFTIPYVBHDB-INIZCTEOSA-N	1	0	368.485	1.603	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)cc1	ZINC000329299794	824721892	/nfs/dbraw/zinc/72/18/92/824721892.db2.gz	MCYLFOQNWDMARA-GOSISDBHSA-N	1	0	353.470	1.827	20	30		FDEDRO
O=C(N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1)N1CC[N@@H+]2CCC[C@H]2C1	ZINC000329313463	824731036	/nfs/dbraw/zinc/73/10/36/824731036.db2.gz	GULLYIROIBWSAY-SCTDSRPQSA-N	1	0	369.469	1.580	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)=[NH+]C1CCCC1	ZINC000262288012	824734887	/nfs/dbraw/zinc/73/48/87/824734887.db2.gz	KSOWLDKJCDPKAU-CGTJXYLNSA-N	1	0	362.518	1.900	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](n3cccn3)C2)CC1	ZINC000329327391	824738832	/nfs/dbraw/zinc/73/88/32/824738832.db2.gz	UOQVIPYANXHFJD-QZTJIDSGSA-N	1	0	358.490	1.212	20	30		FDEDRO
Cc1noc([C@H](NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)C2CCOCC2)n1	ZINC000329379124	824762224	/nfs/dbraw/zinc/76/22/24/824762224.db2.gz	MUYFIUNRABKGMA-VBNZEHGJSA-N	1	0	363.462	1.928	20	30		FDEDRO
Cc1nnc2ccc(C(=O)NC3CC[NH+]([C@H]4CCN(C)C4=O)CC3)cn12	ZINC000329455112	824805379	/nfs/dbraw/zinc/80/53/79/824805379.db2.gz	PRBQGQHJFOXCSW-HNNXBMFYSA-N	1	0	356.430	1.037	20	30		FDEDRO
CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)C1	ZINC000329527033	824854072	/nfs/dbraw/zinc/85/40/72/824854072.db2.gz	UAYMVUBKIMKVHR-IRXDYDNUSA-N	1	0	365.522	1.854	20	30		FDEDRO
COCCn1cc2c(n1)[C@H](NC(=O)N1CC[C@H]3CC[C@@H](C1)[N@@H+]3C)CCC2	ZINC000329555213	824877418	/nfs/dbraw/zinc/87/74/18/824877418.db2.gz	GZHFQZJMPKNOQG-IXDOHACOSA-N	1	0	361.490	1.989	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@@H]4CCNC4=O)C[C@@H]3C2)c1	ZINC001087990923	824943854	/nfs/dbraw/zinc/94/38/54/824943854.db2.gz	YXPBFEHEEWLAAP-OTWHNJEPSA-N	1	0	366.465	1.365	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c(c3)NC(=O)CO4)C[C@@H]2C1	ZINC001088000985	825064615	/nfs/dbraw/zinc/06/46/15/825064615.db2.gz	OHEGQHPGEWOLQU-CVEARBPZSA-N	1	0	355.438	1.988	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ncccc3C)CC[C@@H]2C1	ZINC001087997890	825073082	/nfs/dbraw/zinc/07/30/82/825073082.db2.gz	FIUXOIMCVNSSFR-DYXWJJEUSA-N	1	0	366.509	1.768	20	30		FDEDRO
O=C(NCC#Cc1ccc(C(F)(F)F)cc1)C1C[NH+]([C@H]2CCOC2)C1	ZINC000896833662	825164566	/nfs/dbraw/zinc/16/45/66/825164566.db2.gz	XFUBAGGECZERGC-INIZCTEOSA-N	1	0	352.356	1.894	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2CC)c1	ZINC000984896302	825263948	/nfs/dbraw/zinc/26/39/48/825263948.db2.gz	RRWBBPCKTDRBMJ-BPQIPLTHSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)C)CC[C@@H]2C1	ZINC001088016717	825274494	/nfs/dbraw/zinc/27/44/94/825274494.db2.gz	RSXRIDNANPBFAP-SJORKVTESA-N	1	0	371.481	1.734	20	30		FDEDRO
CC[C@@H](C)[NH+]=C(NCC(=O)N(C)C)N1CCN(c2ccc(F)cc2)CC1	ZINC000262332315	825285735	/nfs/dbraw/zinc/28/57/35/825285735.db2.gz	VHGIPVCJMAKKGX-OAHLLOKOSA-N	1	0	363.481	1.780	20	30		FDEDRO
COc1cc(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)ncn1	ZINC000329683523	825301487	/nfs/dbraw/zinc/30/14/87/825301487.db2.gz	XTBVSBSERNZYBK-HUUCEWRRSA-N	1	0	360.462	1.148	20	30		FDEDRO
Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3C[N@H+](C4CC4)C[C@H]3C)C2)nn1	ZINC000329690950	825319076	/nfs/dbraw/zinc/31/90/76/825319076.db2.gz	DEBPXDOBXLAJPM-UKPHBRMFSA-N	1	0	358.490	1.740	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(C)nn(C)c2OC)C[C@H]1C(F)(F)F	ZINC001112174026	825399690	/nfs/dbraw/zinc/39/96/90/825399690.db2.gz	ZDNABFRWCOOETE-VXGBXAGGSA-N	1	0	360.380	1.906	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC000984918962	825459482	/nfs/dbraw/zinc/45/94/82/825459482.db2.gz	DREIUMGPNQYWAB-OKZBNKHCSA-N	1	0	369.469	1.337	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)CC[N@@H+]1C	ZINC000329799483	825463201	/nfs/dbraw/zinc/46/32/01/825463201.db2.gz	HOCWLIPJHIPAOY-GDBMZVCRSA-N	1	0	360.458	1.547	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)Cc3ccccc3)CC2)CC[N@@H+]1C	ZINC000329816839	825478451	/nfs/dbraw/zinc/47/84/51/825478451.db2.gz	WIAONNJODLTCPS-SJLPKXTDSA-N	1	0	358.486	1.770	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccnn4C(C)C)[C@@H]3C2)C1=O	ZINC001075833099	825607084	/nfs/dbraw/zinc/60/70/84/825607084.db2.gz	ZMIPJJKETUXAKR-XYJFISCASA-N	1	0	371.485	1.397	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CN(C(=O)C3CCS(=O)(=O)CC3)C[C@]2(C)C1	ZINC001101379933	825636650	/nfs/dbraw/zinc/63/66/50/825636650.db2.gz	JUFSVWIUADMEGC-AEFFLSMTSA-N	1	0	354.516	1.558	20	30		FDEDRO
CCn1nccc1N1CCC[C@@H](NC(=O)N(C)CC[NH+]2CCCC2)C1=O	ZINC000330106064	825640363	/nfs/dbraw/zinc/64/03/63/825640363.db2.gz	KIVKWRSXFNJPFJ-OAHLLOKOSA-N	1	0	362.478	1.340	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CSc3ccccc32)CC1	ZINC000330120389	825653789	/nfs/dbraw/zinc/65/37/89/825653789.db2.gz	GIQSYMGADXBKCF-HZPDHXFCSA-N	1	0	374.510	1.986	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)CC1	ZINC000330135722	825665991	/nfs/dbraw/zinc/66/59/91/825665991.db2.gz	MXFYQINLAOUQND-KZNAEPCWSA-N	1	0	356.470	1.695	20	30		FDEDRO
C[C@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)c1nnc2n1CCC2	ZINC000330203564	825731739	/nfs/dbraw/zinc/73/17/39/825731739.db2.gz	AWWCTHGPTPBPHR-KGLIPLIRSA-N	1	0	362.478	1.384	20	30		FDEDRO
COc1ccc(CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1OC	ZINC000330216019	825737423	/nfs/dbraw/zinc/73/74/23/825737423.db2.gz	MVCWNDWYEWZGEO-MRXNPFEDSA-N	1	0	363.458	1.772	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](CC(=O)N(C)C4CC4)CC[C@@H]3C2)cc1	ZINC001088062089	825752722	/nfs/dbraw/zinc/75/27/22/825752722.db2.gz	NRXGRLPUIHOBEA-MOPGFXCFSA-N	1	0	365.477	1.683	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCCc2c1cnn2C	ZINC000330250468	825766599	/nfs/dbraw/zinc/76/65/99/825766599.db2.gz	GVWAMJYTJKMVHC-YOEHRIQHSA-N	1	0	361.490	1.897	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C(N)=O)C[C@H]1C(F)(F)F	ZINC001112192184	828831029	/nfs/dbraw/zinc/83/10/29/828831029.db2.gz	MSVMIEBOEWZHIZ-JHJVBQTASA-N	1	0	362.396	1.475	20	30		FDEDRO
CN(C)CC[NH+]1CCC(CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1	ZINC000281012398	825850795	/nfs/dbraw/zinc/85/07/95/825850795.db2.gz	VFBAXXLYFYFSOI-HXUWFJFHSA-N	1	0	367.497	1.630	20	30		FDEDRO
Cn1ncc(I)c1C[NH2+]C[C@H](O)CC(C)(C)C#N	ZINC000872241498	832058030	/nfs/dbraw/zinc/05/80/30/832058030.db2.gz	DIMYSDHKBRYNSA-SECBINFHSA-N	1	0	362.215	1.415	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cn(C)nc3C)CC[C@@H]2C1	ZINC001088138163	826621596	/nfs/dbraw/zinc/62/15/96/826621596.db2.gz	WQNHWMQPXHJKJO-GTAWCEEGSA-N	1	0	372.513	1.990	20	30		FDEDRO
O=C(c1nc[nH]n1)N1C[C@@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)CC[C@@H]2C1	ZINC001088144039	826695501	/nfs/dbraw/zinc/69/55/01/826695501.db2.gz	QEJZFLIELHZCHV-CVEARBPZSA-N	1	0	369.856	1.904	20	30		FDEDRO
Cc1c(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cnn1CCC#N	ZINC000897055598	826836284	/nfs/dbraw/zinc/83/62/84/826836284.db2.gz	AKBLKCYTLOQNCU-ZWKOTPCHSA-N	1	0	359.474	1.603	20	30		FDEDRO
CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4C#N)CC[C@@H]3C2)nn1	ZINC001088154750	826881724	/nfs/dbraw/zinc/88/17/24/826881724.db2.gz	FCHXUJVAAYPLKK-MSOLQXFVSA-N	1	0	364.453	1.764	20	30		FDEDRO
N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4nnc[nH]4)C[C@@H]3C2)c1	ZINC001088165062	826942813	/nfs/dbraw/zinc/94/28/13/826942813.db2.gz	MAXFYCMEDCOAQS-ZBFHGGJFSA-N	1	0	368.416	1.338	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CC[C@]1(C)CCC(=O)N1	ZINC000475323184	827149479	/nfs/dbraw/zinc/14/94/79/827149479.db2.gz	XBONFSJXCDOZPK-FQEVSTJZSA-N	1	0	356.470	1.897	20	30		FDEDRO
N#Cc1cc(Br)cnc1N1CC[C@H]2[C@H]1CCC[N@H+]2CCO	ZINC000897215909	827172565	/nfs/dbraw/zinc/17/25/65/827172565.db2.gz	DRIRDTPFXWPUBN-UONOGXRCSA-N	1	0	351.248	1.751	20	30		FDEDRO
CC(C)[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)C(=O)N(C)Cc1nnc2n1CCC2	ZINC000475355025	827178496	/nfs/dbraw/zinc/17/84/96/827178496.db2.gz	NMOWTSMIEDSBGN-GOSISDBHSA-N	1	0	369.473	1.207	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2ccc(C#N)nc2)CC[N@@H+]1C	ZINC001059515552	827184308	/nfs/dbraw/zinc/18/43/08/827184308.db2.gz	FGMFIAXXRWWMRW-JJQWWUTCSA-N	1	0	353.470	1.909	20	30		FDEDRO
[NH2+]=C(NCC1(c2ccccn2)CCC1)N1CCN(c2ncccn2)CC1	ZINC000262479658	827290974	/nfs/dbraw/zinc/29/09/74/827290974.db2.gz	CTTCUZFQLGUYFV-UHFFFAOYSA-N	1	0	351.458	1.430	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c(cn3)nc[nH]c4=O)C[C@@H]2C1	ZINC001088185550	827323007	/nfs/dbraw/zinc/32/30/07/827323007.db2.gz	GBJMRNFIROVWQI-KGLIPLIRSA-N	1	0	353.426	1.700	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C)CC[N@@H+]1C	ZINC000987546317	833196419	/nfs/dbraw/zinc/19/64/19/833196419.db2.gz	AREIBHMXGFBILY-VWNJHIHFSA-N	1	0	357.458	1.336	20	30		FDEDRO
C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@](C)(O)C[NH+](C)C	ZINC000866921622	827771597	/nfs/dbraw/zinc/77/15/97/827771597.db2.gz	ZCSUSVDIAUFPPR-MLGOLLRUSA-N	1	0	363.886	1.451	20	30		FDEDRO
N#CC[C@H](CC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1	ZINC000475521780	827885063	/nfs/dbraw/zinc/88/50/63/827885063.db2.gz	OGYWLTQYZCRTLY-MSOLQXFVSA-N	1	0	356.470	1.778	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000985498545	828046508	/nfs/dbraw/zinc/04/65/08/828046508.db2.gz	LVJNNIKFZGZWCQ-UKPHBRMFSA-N	1	0	357.458	1.337	20	30		FDEDRO
[NH2+]=C(NCc1ccc(N2CCOCC2)nc1)N[C@H]1CCOc2ccccc21	ZINC000262562454	828306765	/nfs/dbraw/zinc/30/67/65/828306765.db2.gz	WTQBWBJENYPWFA-KRWDZBQOSA-N	1	0	367.453	1.846	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2cccc(C(N)=O)c2)CC1	ZINC000985665973	828884790	/nfs/dbraw/zinc/88/47/90/828884790.db2.gz	BBHWZLZYDFXPNF-MOPGFXCFSA-N	1	0	371.481	1.799	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(=O)[nH]c4ncn(C)c43)[C@@H]2C1	ZINC001075873313	828975478	/nfs/dbraw/zinc/97/54/78/828975478.db2.gz	ORJBFJOFUVQMQZ-DZGCQCFKSA-N	1	0	355.442	1.786	20	30		FDEDRO
Cc1[nH]c(C#N)cc1C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1	ZINC000448706823	829220201	/nfs/dbraw/zinc/22/02/01/829220201.db2.gz	HVHLAXYXNQMLCN-UHFFFAOYSA-N	1	0	351.454	1.872	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]Cc1nc2ccccc2c(=O)[nH]1	ZINC001168101743	829239638	/nfs/dbraw/zinc/23/96/38/829239638.db2.gz	XWDJCFCLXCBFEJ-YJBOKZPZSA-N	1	0	370.453	1.913	20	30		FDEDRO
Cn1c(C#N)ccc1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1	ZINC000448856369	829264800	/nfs/dbraw/zinc/26/48/00/829264800.db2.gz	ABYUZFWNKNHQCM-HNNXBMFYSA-N	1	0	365.437	1.846	20	30		FDEDRO
CCCNC(=O)[C@@H]1CCC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000528364227	829360940	/nfs/dbraw/zinc/36/09/40/829360940.db2.gz	IHWDJJPJBAMAAC-MRXNPFEDSA-N	1	0	367.449	1.524	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1CN1CCOCC1	ZINC000528391019	829378764	/nfs/dbraw/zinc/37/87/64/829378764.db2.gz	CUMFOZNVSKMDCN-RTBURBONSA-N	1	0	359.470	1.485	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[NH+]1CCC(O[C@@H]2CCOC2)CC1	ZINC000528394495	829381639	/nfs/dbraw/zinc/38/16/39/829381639.db2.gz	IMWMMMVGQFJQBK-QGZVFWFLSA-N	1	0	368.433	1.556	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(OC[C@@H]2CCOC2)CC1	ZINC000528426819	829405859	/nfs/dbraw/zinc/40/58/59/829405859.db2.gz	HKIRUZRMWNBRRM-AEFFLSMTSA-N	1	0	360.454	1.815	20	30		FDEDRO
CC1([C@@H]2CCC[N@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)OCCO1	ZINC000528442084	829412299	/nfs/dbraw/zinc/41/22/99/829412299.db2.gz	PRIIYRNEQDLNQP-MRXNPFEDSA-N	1	0	368.433	1.761	20	30		FDEDRO
C[C@H](NC(=O)Cc1ccc(C#N)nc1)[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000528645646	829484471	/nfs/dbraw/zinc/48/44/71/829484471.db2.gz	OWRRLBWGIOQDBB-JXFKEZNVSA-N	1	0	364.449	1.901	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC1CCCCCC1	ZINC001168109534	829529368	/nfs/dbraw/zinc/52/93/68/829529368.db2.gz	BDNUGKNNDVUJGD-HKUYNNGSSA-N	1	0	365.518	1.903	20	30		FDEDRO
N#Cc1ccc(CC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cn1	ZINC000528920941	829620715	/nfs/dbraw/zinc/62/07/15/829620715.db2.gz	WQGIGVMHPLMWJL-OALUTQOASA-N	1	0	350.422	1.247	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cn(CC2CC2)nn1	ZINC000449810055	829677143	/nfs/dbraw/zinc/67/71/43/829677143.db2.gz	JWQHYZZWPCLYCT-UHFFFAOYSA-N	1	0	352.442	1.764	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C[C@H]1[NH+](C)C	ZINC000449986079	829743797	/nfs/dbraw/zinc/74/37/97/829743797.db2.gz	NWJSEYDPUNMEDX-HACGYAERSA-N	1	0	374.872	1.973	20	30		FDEDRO
[NH2+]=C(NCc1nnc2n1CCCC2)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000262012775	837391035	/nfs/dbraw/zinc/39/10/35/837391035.db2.gz	UZGNHBCZJGQBEZ-UHFFFAOYSA-N	1	0	373.892	1.905	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@@H]3CC[NH2+]C34CCC4)C2=O)cc1	ZINC000529319507	829826898	/nfs/dbraw/zinc/82/68/98/829826898.db2.gz	AMYQQDISAGFZSY-IAGOWNOFSA-N	1	0	367.453	1.243	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12	ZINC000729811787	837407038	/nfs/dbraw/zinc/40/70/38/837407038.db2.gz	CFIFFQGXYVAPNK-PNBKFKSVSA-N	1	0	365.499	1.353	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C=C4CCC4)C[C@@H]3C2)CC1	ZINC000985934940	830155671	/nfs/dbraw/zinc/15/56/71/830155671.db2.gz	SKQQHDZPJJHBFB-UXHICEINSA-N	1	0	369.509	1.749	20	30		FDEDRO
N#Cc1c(N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)nc2cc(Cl)ccn12	ZINC000450895515	830164041	/nfs/dbraw/zinc/16/40/41/830164041.db2.gz	YANKCMSRNYGDDE-AWEZNQCLSA-N	1	0	372.860	1.650	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2cn([C@@H](C)COC)nc2C)[C@@H](O)C1	ZINC001083460791	837454897	/nfs/dbraw/zinc/45/48/97/837454897.db2.gz	YXDHVABHVMZRLX-XKQJLSEDSA-N	1	0	350.463	1.140	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CCN3C(=O)NC(C)(C)C3=O)[C@@H]2C)C1	ZINC001088844436	830473488	/nfs/dbraw/zinc/47/34/88/830473488.db2.gz	QRSXXCXVKXTPTO-KGLIPLIRSA-N	1	0	362.474	1.252	20	30		FDEDRO
COC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C[C@H]1c1ccccc1	ZINC000452005780	830502329	/nfs/dbraw/zinc/50/23/29/830502329.db2.gz	MXYKQCSMPWDTSW-BHYGNILZSA-N	1	0	355.438	1.826	20	30		FDEDRO
COc1cccc(CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)n1	ZINC000305036406	830538181	/nfs/dbraw/zinc/53/81/81/830538181.db2.gz	SQWGXCZVPZXMMK-CQSZACIVSA-N	1	0	361.446	1.471	20	30		FDEDRO
C[C@H](C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1)n1cnc(C#N)n1	ZINC000452725432	830758613	/nfs/dbraw/zinc/75/86/13/830758613.db2.gz	FEBWNUAAPZFJOE-OAHLLOKOSA-N	1	0	352.442	1.882	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)ccc1C#N	ZINC000453770910	831065833	/nfs/dbraw/zinc/06/58/33/831065833.db2.gz	YSXNNZRYVNDDDD-ZDUSSCGKSA-N	1	0	355.442	1.533	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]2C1	ZINC000986159732	831220595	/nfs/dbraw/zinc/22/05/95/831220595.db2.gz	UIBDQKWWPAEBHS-QYZOEREBSA-N	1	0	355.482	1.049	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)C4(C)CCC4)CC[C@@H]3C2)CC1	ZINC000986247247	831359942	/nfs/dbraw/zinc/35/99/42/831359942.db2.gz	YHVBSKIGHFDVST-MOPGFXCFSA-N	1	0	371.525	1.829	20	30		FDEDRO
C[NH+](C)[C@H](C(=O)N1C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CC[C@@H]2C1)C1CC1	ZINC000986257960	831386601	/nfs/dbraw/zinc/38/66/01/831386601.db2.gz	DITROEVOAMGGTE-RYRKJORJSA-N	1	0	369.469	1.147	20	30		FDEDRO
C[NH+]=C(NCC[C@@H]1CCCC[C@@H]1C)N1CCN(c2nccn(C)c2=O)CC1	ZINC000262790244	831453014	/nfs/dbraw/zinc/45/30/14/831453014.db2.gz	NYACISLLKBUZRQ-IRXDYDNUSA-N	1	0	374.533	1.694	20	30		FDEDRO
C[NH+]=C(NCCNC(=O)c1ccc(O)cc1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C	ZINC000262824375	831551793	/nfs/dbraw/zinc/55/17/93/831551793.db2.gz	ZFIJFDXIZWSVCM-GVDBMIGSSA-N	1	0	374.485	1.491	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1	ZINC000986428176	831666657	/nfs/dbraw/zinc/66/66/57/831666657.db2.gz	OLFGFXLOFKKAEU-SJORKVTESA-N	1	0	359.514	1.991	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)[C@H]2C)c1	ZINC001088494484	831794846	/nfs/dbraw/zinc/79/48/46/831794846.db2.gz	BQAMJGHXQLOHDM-AYOQOUSVSA-N	1	0	368.481	1.280	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H](F)CC)C[C@@H]3C2)CC1	ZINC000986516455	831812465	/nfs/dbraw/zinc/81/24/65/831812465.db2.gz	FNBSKBZOEQJYDT-SQNIBIBYSA-N	1	0	363.477	1.387	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3CN(C(=O)[C@@H](CC)[NH+](C)C)CC[C@@H]3C2)c1	ZINC000986640592	832134834	/nfs/dbraw/zinc/13/48/34/832134834.db2.gz	DFENZSJUZNDBEU-NZSAHSFTSA-N	1	0	368.481	1.324	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CC45CC5)C[C@@H]3C2)CC1	ZINC000986767073	832262024	/nfs/dbraw/zinc/26/20/24/832262024.db2.gz	QCEMXPJJZBLHKV-CEXWTWQISA-N	1	0	369.509	1.439	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C[C@@H]2COC(=O)C2)CCN1Cc1ccc(F)c(C#N)c1	ZINC001088522803	832403487	/nfs/dbraw/zinc/40/34/87/832403487.db2.gz	FLSVRDKPOKFKCB-IFIJOSMWSA-N	1	0	359.401	1.730	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@@H]1C	ZINC000988860130	837673159	/nfs/dbraw/zinc/67/31/59/837673159.db2.gz	CPGPDLTWEJLMJK-FHLIZLRMSA-N	1	0	371.485	1.726	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)C[NH+]1CCC(C)CC1	ZINC000987634481	833489135	/nfs/dbraw/zinc/48/91/35/833489135.db2.gz	PWGWNTVGUWUSBD-ZBFHGGJFSA-N	1	0	357.458	1.337	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000987650964	833517547	/nfs/dbraw/zinc/51/75/47/833517547.db2.gz	HTNXLHOSTUYIJW-LOUJCGABSA-N	1	0	357.458	1.336	20	30		FDEDRO
C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NCc1cccc(C#N)c1	ZINC000897434512	833599663	/nfs/dbraw/zinc/59/96/63/833599663.db2.gz	VKKWJICJFQXPPN-OAHLLOKOSA-N	1	0	363.421	1.307	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000987922491	833789961	/nfs/dbraw/zinc/78/99/61/833789961.db2.gz	CXSAOAPLQBJKFC-JKIFEVAISA-N	1	0	357.458	1.147	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C(C)C)[C@H]2C)c1	ZINC000987983485	833864118	/nfs/dbraw/zinc/86/41/18/833864118.db2.gz	IAWQTBAGWOZUMY-AYOQOUSVSA-N	1	0	368.481	1.655	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1	ZINC000666537304	833951534	/nfs/dbraw/zinc/95/15/34/833951534.db2.gz	OEFBKZAIORBBFR-SFHVURJKSA-N	1	0	373.501	1.311	20	30		FDEDRO
C=C(C)CCC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1	ZINC001059858251	834143700	/nfs/dbraw/zinc/14/37/00/834143700.db2.gz	QKQQUAFYEPJYKA-BRWVUGGUSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1C	ZINC000988304744	834328836	/nfs/dbraw/zinc/32/88/36/834328836.db2.gz	OGJOLQIKUJEOLI-BGTYHANMSA-N	1	0	363.502	1.558	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H]2COC3(CCCCC3)O2)CC1	ZINC000305783283	834572838	/nfs/dbraw/zinc/57/28/38/834572838.db2.gz	WADNJPRQXLCUGJ-HNNXBMFYSA-N	1	0	368.478	1.587	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2cccn(CC(=O)OCC)c2=O)CC1	ZINC000532840501	835501567	/nfs/dbraw/zinc/50/15/67/835501567.db2.gz	YHAYMRBQKQMIBH-UHFFFAOYSA-N	1	0	362.430	1.183	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3CCC)[C@@H]2C)CC1	ZINC000988506448	835658624	/nfs/dbraw/zinc/65/86/24/835658624.db2.gz	MCSOTGDURNTIHE-OWYHZJEWSA-N	1	0	359.514	1.873	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3ccnc(C)c3)[C@@H]2C)CC1	ZINC000988506760	835659115	/nfs/dbraw/zinc/65/91/15/835659115.db2.gz	ORFZNMADIZDYLC-APWZRJJASA-N	1	0	368.481	1.454	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3cncc(C)c3)[C@@H]2C)CC1	ZINC000988506869	835661127	/nfs/dbraw/zinc/66/11/27/835661127.db2.gz	RALILKSDLYHOLU-APWZRJJASA-N	1	0	368.481	1.454	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3oncc3C)[C@@H]2C)CC1	ZINC000988507363	835662290	/nfs/dbraw/zinc/66/22/90/835662290.db2.gz	SBYNACOCXGYBQT-ZBFHGGJFSA-N	1	0	358.442	1.047	20	30		FDEDRO
C=CCN1CC[C@@H](N2CC[C@H](NC(=O)c3cn4c(n3)CCCC4)[C@H]2C)C1=O	ZINC001088601337	835956092	/nfs/dbraw/zinc/95/60/92/835956092.db2.gz	VMGSTYLWYCDXCQ-HLLBOEOZSA-N	1	0	371.485	1.199	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(C(=O)NC)CCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105669329	844214554	/nfs/dbraw/zinc/21/45/54/844214554.db2.gz	QVWANASTGSSYEQ-NNFUDEMPSA-N	1	0	363.502	1.055	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(CC)on3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105669686	844280221	/nfs/dbraw/zinc/28/02/21/844280221.db2.gz	UOWFLJKJNALIPB-SOAMZJECSA-N	1	0	359.470	1.840	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1	ZINC000988989014	838086985	/nfs/dbraw/zinc/08/69/85/838086985.db2.gz	XYWPZTMZRORTRA-XSLAGTTESA-N	1	0	363.502	1.559	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC000989014335	838118162	/nfs/dbraw/zinc/11/81/62/838118162.db2.gz	APVZSJKIQVSSOK-JEBQAFNWSA-N	1	0	369.469	1.480	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)[C@H]2C)cn1	ZINC000989050339	838193260	/nfs/dbraw/zinc/19/32/60/838193260.db2.gz	WBYNOCGCBMLSJO-RKVPGOIHSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)[C@@H]1C	ZINC001088622920	838473065	/nfs/dbraw/zinc/47/30/65/838473065.db2.gz	XIFWKZITYASXJN-CABCVRRESA-N	1	0	358.442	1.016	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1CCN(CC(=O)N2CCCCC2)[C@@H]1C	ZINC001088623484	838515455	/nfs/dbraw/zinc/51/54/55/838515455.db2.gz	CKFDCPTWHRXCTF-SJORKVTESA-N	1	0	358.486	1.879	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCn2nc(C)cc2C)[C@@H]1C	ZINC001088631644	838605498	/nfs/dbraw/zinc/60/54/98/838605498.db2.gz	XVANDRHYPUEGRD-QYZOEREBSA-N	1	0	357.502	1.177	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C)cc1	ZINC000989214852	838729296	/nfs/dbraw/zinc/72/92/96/838729296.db2.gz	DHJKFNJIRSEKGJ-RGCFKVTRSA-N	1	0	353.466	1.727	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C)cc1	ZINC000989210501	838744184	/nfs/dbraw/zinc/74/41/84/838744184.db2.gz	MDBLFLHIBLKQKO-FCEWJHQRSA-N	1	0	353.466	1.871	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN(c3ccnc(C#N)n3)C2)CC[N@@H+]1C	ZINC001059968507	839529585	/nfs/dbraw/zinc/52/95/85/839529585.db2.gz	HIPGEGRPGRUSQF-OWCLPIDISA-N	1	0	356.474	1.411	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CNC(C)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105591870	840132316	/nfs/dbraw/zinc/13/23/16/840132316.db2.gz	UYROANMNKJAMAD-PSBWJHGTSA-N	1	0	351.491	1.055	20	30		FDEDRO
C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000476192532	840153246	/nfs/dbraw/zinc/15/32/46/840153246.db2.gz	NYJFOWBLDXYKJI-IIDMSEBBSA-N	1	0	354.454	1.600	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)c2ccnc(C#N)c2)CC1	ZINC000476276942	840230293	/nfs/dbraw/zinc/23/02/93/840230293.db2.gz	ORTPVOBHDKORBU-UHFFFAOYSA-N	1	0	357.458	1.310	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=S)NCC1CC[NH+](C)CC1	ZINC000760497630	840263995	/nfs/dbraw/zinc/26/39/95/840263995.db2.gz	VPRQOJHLQRZDOV-CQSZACIVSA-N	1	0	373.530	1.075	20	30		FDEDRO
O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1	ZINC000667542316	844538175	/nfs/dbraw/zinc/53/81/75/844538175.db2.gz	QPAIXSHDUQGHED-XLIONFOSSA-N	1	0	374.444	1.630	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccccc3O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105598463	840814802	/nfs/dbraw/zinc/81/48/02/840814802.db2.gz	QTCZMHBSVLQEEI-XLBJILASSA-N	1	0	356.466	1.995	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=NOCc2ccc(S(C)(=O)=O)o2)cc1	ZINC000842037235	840848172	/nfs/dbraw/zinc/84/81/72/840848172.db2.gz	USYYZOSGFMDPFR-UHFFFAOYSA-N	1	0	351.428	1.582	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1ccncc1	ZINC000842039930	840865414	/nfs/dbraw/zinc/86/54/14/840865414.db2.gz	TVKVBVDALNOSDF-MSOLQXFVSA-N	1	0	356.470	1.806	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)nn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105600074	840983686	/nfs/dbraw/zinc/98/36/86/840983686.db2.gz	AIISIRAMFLMBMQ-DLVXIWMQSA-N	1	0	358.486	1.332	20	30		FDEDRO
COCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CSCC#N)[C@H]2C(C)C)C[C@H]1O	ZINC001105600137	840986450	/nfs/dbraw/zinc/98/64/50/840986450.db2.gz	BVNJVWKYCSFKKY-XYVMCAHJSA-N	1	0	369.531	1.246	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCC3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105600592	840998114	/nfs/dbraw/zinc/99/81/14/840998114.db2.gz	JSIUCYZDQUXUDB-JYBIWHBTSA-N	1	0	350.503	1.955	20	30		FDEDRO
Cn1ncc(C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)c1C#N	ZINC000476382301	841200620	/nfs/dbraw/zinc/20/06/20/841200620.db2.gz	WIKNFGDHVXQALV-UHFFFAOYSA-N	1	0	372.860	1.497	20	30		FDEDRO
C=CCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnns3)C2)[C@H]1C(C)C	ZINC001105606386	841205147	/nfs/dbraw/zinc/20/51/47/841205147.db2.gz	CJTDGTOSCUGJCX-AHCXZYCDSA-N	1	0	364.515	1.970	20	30		FDEDRO
C=CCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NCC)C2)[C@@H]1C(C)C	ZINC001105607151	841221869	/nfs/dbraw/zinc/22/18/69/841221869.db2.gz	MIDHLPKPZKBQSM-LTDCPUDJSA-N	1	0	351.491	1.055	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)n(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105607490	841229700	/nfs/dbraw/zinc/22/97/00/841229700.db2.gz	SCILESBQZFTQST-XSYGEPLQSA-N	1	0	360.502	1.884	20	30		FDEDRO
C=CCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NCCC)C2)[C@@H]1C(C)C	ZINC001105607725	841232871	/nfs/dbraw/zinc/23/28/71/841232871.db2.gz	WTEXBMSFDGEPQQ-YAJHFMINSA-N	1	0	365.518	1.445	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(N)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105610441	841629807	/nfs/dbraw/zinc/62/98/07/841629807.db2.gz	KLAYMEHYKXXPEX-XNFNUYLZSA-N	1	0	367.534	1.798	20	30		FDEDRO
C[NH+]=C(NCc1ccc(C(N)=O)o1)N1CCN(c2ccccc2OC)CC1	ZINC000089136035	841706471	/nfs/dbraw/zinc/70/64/71/841706471.db2.gz	ZZXKTPPGVQGJJS-UHFFFAOYSA-N	1	0	371.441	1.285	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105611008	841748288	/nfs/dbraw/zinc/74/82/88/841748288.db2.gz	OGNQXWMBBNKZFO-PSBWJHGTSA-N	1	0	354.491	1.192	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnccc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105611563	841896704	/nfs/dbraw/zinc/89/67/04/841896704.db2.gz	SPZPJKXJYNQNGS-WERVVEIQSA-N	1	0	355.482	1.993	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnccc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105612180	841961924	/nfs/dbraw/zinc/96/19/24/841961924.db2.gz	YDGQLBPQIZKFNE-XCJLJZCSSA-N	1	0	355.482	1.993	20	30		FDEDRO
N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)NCCNc2cc[nH+]cc2)c1	ZINC000476756286	842115919	/nfs/dbraw/zinc/11/59/19/842115919.db2.gz	GFFYNXQPPWPWGX-SFHVURJKSA-N	1	0	363.421	1.094	20	30		FDEDRO
CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1cnn(C)c1C#N	ZINC000476856772	842175370	/nfs/dbraw/zinc/17/53/70/842175370.db2.gz	RNHLMUALBGCWPL-IBGZPJMESA-N	1	0	353.426	1.001	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3oc(C)nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105613780	842225163	/nfs/dbraw/zinc/22/51/63/842225163.db2.gz	BSXDFDAQPPLOQA-ZTRFORPCSA-N	1	0	359.470	1.894	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CNC(=O)CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105614944	842228900	/nfs/dbraw/zinc/22/89/00/842228900.db2.gz	LTYGCLZZKOALQK-VVWQDTPRSA-N	1	0	351.491	1.055	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)/C=C/C3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105615582	842231543	/nfs/dbraw/zinc/23/15/43/842231543.db2.gz	XUVUPYYVFVAQHD-GBLAGNCOSA-N	1	0	360.498	1.569	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619035	842235129	/nfs/dbraw/zinc/23/51/29/842235129.db2.gz	DTYFTZRTMXRAGY-SOAMZJECSA-N	1	0	354.454	1.489	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncccc3O)[C@H]2C(C)C)C[C@H]1O	ZINC001105619301	842237141	/nfs/dbraw/zinc/23/71/41/842237141.db2.gz	IVHPORYYHHUPRU-BIJSTVTOSA-N	1	0	359.470	1.943	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnn3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105619503	842237983	/nfs/dbraw/zinc/23/79/83/842237983.db2.gz	MCQBMFHTKDOEQU-PHXBYCTMSA-N	1	0	358.486	1.506	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619806	842239787	/nfs/dbraw/zinc/23/97/87/842239787.db2.gz	REQIUEAKQVHOMN-MLYOOKFZSA-N	1	0	354.454	1.489	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCC(=O)NC)[C@H]2C(C)C)C[C@H]1O	ZINC001105620200	842242876	/nfs/dbraw/zinc/24/28/76/842242876.db2.gz	XSKWLYRXNMSYOX-YKCBXCCJSA-N	1	0	365.518	1.445	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3ncc[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105622465	842246625	/nfs/dbraw/zinc/24/66/25/842246625.db2.gz	BALFXJWCRMKEAY-YKCBXCCJSA-N	1	0	358.486	1.332	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3ncc[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105622912	842249894	/nfs/dbraw/zinc/24/98/94/842249894.db2.gz	JXZHGDQSELOEKL-YAJHFMINSA-N	1	0	358.486	1.332	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cncnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105623114	842250543	/nfs/dbraw/zinc/25/05/43/842250543.db2.gz	MQLCRHUPDIJYKS-HNBVOPMISA-N	1	0	358.486	1.561	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnnn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105623198	842250846	/nfs/dbraw/zinc/25/08/46/842250846.db2.gz	OBYTXUPTVBPHRL-KLICCBINSA-N	1	0	361.490	1.361	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnnn3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105623309	842251439	/nfs/dbraw/zinc/25/14/39/842251439.db2.gz	PGEICGSSIZODLR-VYCZESIESA-N	1	0	361.490	1.454	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnnn3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105623308	842251737	/nfs/dbraw/zinc/25/17/37/842251737.db2.gz	PGEICGSSIZODLR-NWGLXNPWSA-N	1	0	361.490	1.454	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nccc(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105624300	842254073	/nfs/dbraw/zinc/25/40/73/842254073.db2.gz	YSCCBISDCZEPND-WOCWXWTJSA-N	1	0	358.486	1.941	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccncc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105626509	842256742	/nfs/dbraw/zinc/25/67/42/842256742.db2.gz	CGQHOAHUBNVRTQ-ANTGDGSKSA-N	1	0	355.482	1.993	20	30		FDEDRO
CC/C(C)=C\C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC#CCOC)C2)[C@H]1C(C)C	ZINC001105627430	842259575	/nfs/dbraw/zinc/25/95/75/842259575.db2.gz	NPVHGKDNHASRRY-NYDNPAECSA-N	1	0	362.514	1.959	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3nnc(C)[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105628846	842262472	/nfs/dbraw/zinc/26/24/72/842262472.db2.gz	YLKSFIUKVJSWLN-VVWQDTPRSA-N	1	0	361.490	1.198	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cc(C)n[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105613991	842265609	/nfs/dbraw/zinc/26/56/09/842265609.db2.gz	DWAXMJPFWGJNJL-IZBJGVDFSA-N	1	0	358.486	1.250	20	30		FDEDRO
COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105614009	842265792	/nfs/dbraw/zinc/26/57/92/842265792.db2.gz	FBVQCZADGCVYQE-VXNCWWDNSA-N	1	0	360.458	1.112	20	30		FDEDRO
COc1cc(O)c(C[NH+]2CCN(c3cccc(C#N)n3)CC2)cc1OC	ZINC000760549628	842266556	/nfs/dbraw/zinc/26/65/56/842266556.db2.gz	CLUZMSQFMPPPNG-UHFFFAOYSA-N	1	0	354.410	1.998	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)C(N)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105636944	842269429	/nfs/dbraw/zinc/26/94/29/842269429.db2.gz	HBOCJZAYBZWDAT-IHSNIMORSA-N	1	0	365.518	1.430	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cncs3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637291	842270933	/nfs/dbraw/zinc/27/09/33/842270933.db2.gz	MSOIYUYCASGWDR-PSBWJHGTSA-N	1	0	361.511	1.675	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3onc(C)c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105637351	842271363	/nfs/dbraw/zinc/27/13/63/842271363.db2.gz	OCIOHLYLJYSMCM-HBXLWWENSA-N	1	0	359.470	1.894	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3[nH]c(=O)[nH]c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637815	842274828	/nfs/dbraw/zinc/27/48/28/842274828.db2.gz	VZWJPFOYBXLWBY-NPNMTCQASA-N	1	0	362.474	1.580	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)C(N)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105638092	842275586	/nfs/dbraw/zinc/27/55/86/842275586.db2.gz	ZSEILLVZFGRSMJ-DEXNDLTESA-N	1	0	351.491	1.040	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC3CCC3)C2)[C@H]1C(C)C	ZINC001105634196	842283975	/nfs/dbraw/zinc/28/39/75/842283975.db2.gz	ZZKDGYQAGVVXMN-VURPSTOHSA-N	1	0	362.514	1.793	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cncc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105641453	842292052	/nfs/dbraw/zinc/29/20/52/842292052.db2.gz	BGYMECHGSMXHCC-LFGUQSLTSA-N	1	0	360.502	1.734	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3n[nH]nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105648467	842420540	/nfs/dbraw/zinc/42/05/40/842420540.db2.gz	YJQYENWBEGFBNJ-LFEHRJTNSA-N	1	0	361.490	1.659	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@H]2C(C)C)C[C@H]1O	ZINC001105651726	842444216	/nfs/dbraw/zinc/44/42/16/842444216.db2.gz	IUVIKVPBZDOLHP-JIDXGHHUSA-N	1	0	362.514	1.811	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc(C)n3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105652572	842447982	/nfs/dbraw/zinc/44/79/82/842447982.db2.gz	NLXVDSKFFPQZLH-PHXBYCTMSA-N	1	0	358.486	1.332	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1	ZINC000477202465	842458213	/nfs/dbraw/zinc/45/82/13/842458213.db2.gz	HLISCUTWHHBQRV-CLWJZODNSA-N	1	0	365.518	1.711	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088720721	842507600	/nfs/dbraw/zinc/50/76/00/842507600.db2.gz	WKLYONSPAPYMAL-JLSDUUJJSA-N	1	0	369.469	1.428	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105660374	842531592	/nfs/dbraw/zinc/53/15/92/842531592.db2.gz	UIOPKNUEDRSOCK-ANTGDGSKSA-N	1	0	355.482	1.993	20	30		FDEDRO
C=CCCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCOCCO)C2)[C@H]1C(C)C	ZINC001105660824	842579077	/nfs/dbraw/zinc/57/90/77/842579077.db2.gz	YYBJXCQHVNWBAJ-LFGUQSLTSA-N	1	0	368.518	1.318	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(C)nc2C)C[C@@H]1O	ZINC001083470586	842631123	/nfs/dbraw/zinc/63/11/23/842631123.db2.gz	AWPIGKYRFWRZPR-YRXWBPOGSA-N	1	0	359.470	1.341	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(C(=O)NC)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105661135	842666617	/nfs/dbraw/zinc/66/66/17/842666617.db2.gz	FCBAGWISGYBFFF-OAFZBRQQSA-N	1	0	363.502	1.055	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncccc3F)[C@@H]2C(C)C)C[C@H]1O	ZINC001105661369	842690383	/nfs/dbraw/zinc/69/03/83/842690383.db2.gz	IDQZKYLRLSCUNM-CIWUYKSXSA-N	1	0	359.445	1.824	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105661677	842727446	/nfs/dbraw/zinc/72/74/46/842727446.db2.gz	KVQKTCPWQCDUFZ-NWGLXNPWSA-N	1	0	361.490	1.361	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)COc3cccnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105661969	842746465	/nfs/dbraw/zinc/74/64/65/842746465.db2.gz	LSIAJMMOEHGIGS-RMVXJAJNSA-N	1	0	371.481	1.450	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCOCCCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105666100	843074426	/nfs/dbraw/zinc/07/44/26/843074426.db2.gz	CVBADZUQRMPWJM-IZBJGVDFSA-N	1	0	366.502	1.029	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1	ZINC000667138053	843077355	/nfs/dbraw/zinc/07/73/55/843077355.db2.gz	VIKKQYSMKNOZIF-IBGZPJMESA-N	1	0	358.486	1.843	20	30		FDEDRO
C[C@@]12CN(C(=O)Cn3cnc(C#N)n3)C[C@@]1(C)C[NH+](Cc1ccccc1)C2	ZINC000913084609	861383848	/nfs/dbraw/zinc/38/38/48/861383848.db2.gz	XENXIIMBKJMXDR-WOJBJXKFSA-N	1	0	364.453	1.520	20	30		FDEDRO
C[C@@H](C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C)n1cnc(C#N)n1	ZINC000913100643	861415038	/nfs/dbraw/zinc/41/50/38/861415038.db2.gz	TUVAQVZTCSCPAM-VYDXJSESSA-N	1	0	352.442	1.738	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(CC)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105667134	843492518	/nfs/dbraw/zinc/49/25/18/843492518.db2.gz	OJOIQJYLRWHLSN-PHXBYCTMSA-N	1	0	358.486	1.506	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@]2(C)CNC(=O)C2)CCN1Cc1cc(C#N)ccc1F	ZINC001088765484	843523116	/nfs/dbraw/zinc/52/31/16/843523116.db2.gz	FZPJRUZETBCOKK-RNRVQEDPSA-N	1	0	358.417	1.303	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@]2(C)CNC(=O)C2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088766128	843541735	/nfs/dbraw/zinc/54/17/35/843541735.db2.gz	ZHYWHUXJPPJCAN-LIVBEALHSA-N	1	0	370.453	1.194	20	30		FDEDRO
COCC(=O)N1CCC([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC000478327467	843699302	/nfs/dbraw/zinc/69/93/02/843699302.db2.gz	MPJNGOMWJOCUMI-UHFFFAOYSA-N	1	0	367.453	1.686	20	30		FDEDRO
CCCN(CC[NH+](C)C)C(=O)CCc1c(C)nc2c(C#N)cnn2c1C	ZINC000478456377	843764564	/nfs/dbraw/zinc/76/45/64/843764564.db2.gz	WYMCTBAFTNICHK-UHFFFAOYSA-N	1	0	356.474	1.951	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H](NCC#N)C2)[C@@H]1C(C)C	ZINC001105668408	843794316	/nfs/dbraw/zinc/79/43/16/843794316.db2.gz	WVHDSSNGHAQWDB-FPAYPSAMSA-N	1	0	350.507	1.208	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3nnc[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105668450	843796192	/nfs/dbraw/zinc/79/61/92/843796192.db2.gz	XWPGCUGQIHRYBR-RGCFKVTRSA-N	1	0	361.490	1.280	20	30		FDEDRO
C#Cc1ccc(C[NH2+][C@@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)cc1	ZINC000898487497	844775927	/nfs/dbraw/zinc/77/59/27/844775927.db2.gz	MLWHINNONVLRMS-TVRKMHQQSA-N	1	0	361.463	1.657	20	30		FDEDRO
C=CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000669065022	861498600	/nfs/dbraw/zinc/49/86/00/861498600.db2.gz	KZDLUOWJNCOLDY-OAHLLOKOSA-N	1	0	364.494	1.149	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NCc1ccc(CC[NH3+])cc1)c1ccc(C#N)cc1	ZINC000842157598	845077145	/nfs/dbraw/zinc/07/71/45/845077145.db2.gz	RRELGPIXIFVFSW-CQSZACIVSA-N	1	0	350.422	1.553	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccc(C)nc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105672656	845218085	/nfs/dbraw/zinc/21/80/85/845218085.db2.gz	CLCFWWUPEHQLFN-KRXUUXHPSA-N	1	0	369.509	1.922	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCOCCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105673505	845385770	/nfs/dbraw/zinc/38/57/70/845385770.db2.gz	MHZBITDSMKSTOP-RWQQGDIJSA-N	1	0	354.491	1.192	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@H+](CCn1cccn1)CC2	ZINC000990740702	845457329	/nfs/dbraw/zinc/45/73/29/845457329.db2.gz	KYBBGAZYPJPFKI-LXZJYRNTSA-N	1	0	358.486	1.978	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCOC)C2)[C@@H]1C(C)C	ZINC001105674343	845478679	/nfs/dbraw/zinc/47/86/79/845478679.db2.gz	WGGSLMSEDZMLMU-IZBJGVDFSA-N	1	0	368.518	1.582	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCF)C2)[C@H]1C(C)C	ZINC001105674728	845529207	/nfs/dbraw/zinc/52/92/07/845529207.db2.gz	JHMJLNYJLOXMSJ-PSBWJHGTSA-N	1	0	356.482	1.905	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCn3cccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105675157	845651192	/nfs/dbraw/zinc/65/11/92/845651192.db2.gz	MIVCWZZISOCCDG-IZBJGVDFSA-N	1	0	360.502	1.815	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)CC#Cc2ccccc2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2	ZINC001105676532	845954481	/nfs/dbraw/zinc/95/44/81/845954481.db2.gz	WXWBZTJJNPLFSH-CZAYHTPWSA-N	1	0	370.493	1.387	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1O	ZINC001083524196	846259151	/nfs/dbraw/zinc/25/91/51/846259151.db2.gz	LWHDSRMCNQUQAC-AQNXPRMDSA-N	1	0	370.497	1.482	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CC1	ZINC000899589447	846467389	/nfs/dbraw/zinc/46/73/89/846467389.db2.gz	VLAQDPNPPOJOKD-DLBZAZTESA-N	1	0	363.502	1.249	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O	ZINC000842322969	846599433	/nfs/dbraw/zinc/59/94/33/846599433.db2.gz	FBIOMQOVMMTLCW-LSDHHAIUSA-N	1	0	356.422	1.948	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1	ZINC000899976133	846972802	/nfs/dbraw/zinc/97/28/02/846972802.db2.gz	XNSPIZNKICLKLS-UHFFFAOYSA-N	1	0	362.449	1.416	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cc4cnoc4)[C@@H]3C2)cc1C#N	ZINC001076162646	847454350	/nfs/dbraw/zinc/45/43/50/847454350.db2.gz	NCIJNTKPBDNBCH-FUHWJXTLSA-N	1	0	366.421	1.830	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3C[N@H+](CC[C@H]4CCCCO4)C[C@H]32)nn1	ZINC001076336324	847883465	/nfs/dbraw/zinc/88/34/65/847883465.db2.gz	SDJRWVKYAPKLLE-LZLYRXPVSA-N	1	0	359.474	1.570	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1	ZINC001076443506	848127781	/nfs/dbraw/zinc/12/77/81/848127781.db2.gz	OTLHHKQKAPFHJK-AYOQOUSVSA-N	1	0	366.465	1.459	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(CC)on4)[C@@H]3C2)C1=O	ZINC001076473733	848234556	/nfs/dbraw/zinc/23/45/56/848234556.db2.gz	KVPKGWMBZQCYBG-RRQGHBQHSA-N	1	0	358.442	1.170	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(c3)C(=O)NC4=O)[C@@H]2C1	ZINC001076474694	848235946	/nfs/dbraw/zinc/23/59/46/848235946.db2.gz	FSPBISQLNBSPJJ-WMLDXEAASA-N	1	0	353.422	1.683	20	30		FDEDRO
Cn1cccc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)c1=O	ZINC001076474693	848236055	/nfs/dbraw/zinc/23/60/55/848236055.db2.gz	FSGPUEBSVVPIJU-PKOBYXMFSA-N	1	0	362.433	1.603	20	30		FDEDRO
COc1ccc(C#N)cc1CN1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1	ZINC001076568876	848462395	/nfs/dbraw/zinc/46/23/95/848462395.db2.gz	AXJGRTDNECDHAO-JENIJYKNSA-N	1	0	368.481	1.551	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4ccc(C)nc4)[C@@H]3C2)C1=O	ZINC001076576615	848498340	/nfs/dbraw/zinc/49/83/40/848498340.db2.gz	SKJYZJJZLQBBPE-GBESFXJTSA-N	1	0	368.481	1.252	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(C)nc4C)[C@@H]3C2)C1=O	ZINC001076599277	848536091	/nfs/dbraw/zinc/53/60/91/848536091.db2.gz	IWBVFEGGIHJFKB-QXAKKESOSA-N	1	0	368.481	1.632	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN([C@H](C)c4nc(C)no4)C[C@H]32)CC1	ZINC001076605909	848557474	/nfs/dbraw/zinc/55/74/74/848557474.db2.gz	ZBHOTEBMRJJUJA-FHLIZLRMSA-N	1	0	371.485	1.317	20	30		FDEDRO
CN(C)c1ccc(C(N)=[NH+]OCC(=O)NC[C@H]2Cc3ccccc3O2)cc1	ZINC000151285611	861917488	/nfs/dbraw/zinc/91/74/88/861917488.db2.gz	JSNMYDNDXZEVSA-QGZVFWFLSA-N	1	0	368.437	1.509	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccnc(-n4cncn4)c3)[C@@H]2C1	ZINC001076635206	848627457	/nfs/dbraw/zinc/62/74/57/848627457.db2.gz	NJHGGPGUOGJVQF-DLBZAZTESA-N	1	0	352.442	1.775	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1	ZINC001076642346	848640037	/nfs/dbraw/zinc/64/00/37/848640037.db2.gz	SKPRMPZMUCNEAW-BBWFWOEESA-N	1	0	365.518	1.853	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CCCC[NH+](C)C	ZINC001076739209	848909755	/nfs/dbraw/zinc/90/97/55/848909755.db2.gz	MZBCFPUSJQEDPM-BBWFWOEESA-N	1	0	353.507	1.711	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC	ZINC001076740191	848912264	/nfs/dbraw/zinc/91/22/64/848912264.db2.gz	JDGWFAZPWGYEQB-XHSDSOJGSA-N	1	0	353.507	1.709	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001076751216	848957353	/nfs/dbraw/zinc/95/73/53/848957353.db2.gz	COHRAOPOXROSKP-YESZJQIVSA-N	1	0	353.507	1.711	20	30		FDEDRO
Cc1ccccc1CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1	ZINC001076905799	849298791	/nfs/dbraw/zinc/29/87/91/849298791.db2.gz	ASJANCOSIJXYSA-RTBURBONSA-N	1	0	352.438	1.603	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCc4ccccc43)C[C@H]2O)c[nH]1	ZINC001076906024	849299495	/nfs/dbraw/zinc/29/94/95/849299495.db2.gz	KHTKURZLEHTNSH-CEXWTWQISA-N	1	0	350.422	1.739	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccc(OC)cc2)C[C@H]1O	ZINC001077017870	849550848	/nfs/dbraw/zinc/55/08/48/849550848.db2.gz	MJGPQOYTJSFLOS-WTGUMLROSA-N	1	0	374.481	1.380	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)c2C)C[C@H]1O	ZINC001077016445	849568128	/nfs/dbraw/zinc/56/81/28/849568128.db2.gz	NXBOHGOKVZXKLV-MKXGPGLRSA-N	1	0	374.481	1.646	20	30		FDEDRO
C=CCC[C@@H]([NH2+]CCc1nnc2c(=O)n(C)ccn12)[C@]1(C)CCCCO1	ZINC000903092669	849735652	/nfs/dbraw/zinc/73/56/52/849735652.db2.gz	DFZMSCAOFVRYKU-BEFAXECRSA-N	1	0	359.474	1.854	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1O	ZINC001077132536	849863048	/nfs/dbraw/zinc/86/30/48/849863048.db2.gz	XZQCIIQRLUIRSW-XUVXKRRUSA-N	1	0	370.497	1.482	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccccc2CC)C[C@H]1O	ZINC001077159192	849955369	/nfs/dbraw/zinc/95/53/69/849955369.db2.gz	SXQLVNZKWDANOF-QHAWAJNXSA-N	1	0	369.509	1.050	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CCOC3CCC3)C[C@H]2O)cc1	ZINC001077245578	850232599	/nfs/dbraw/zinc/23/25/99/850232599.db2.gz	AAKDGRSGLWDYQY-RTBURBONSA-N	1	0	360.454	1.595	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CN(CN3C(=O)N[C@@](C)(c4cccc(C#N)c4)C3=O)C[C@]2(C)C1	ZINC000904435781	851219142	/nfs/dbraw/zinc/21/91/42/851219142.db2.gz	FSBMSVSFCHFYIQ-UXPWSPDFSA-N	1	0	367.453	1.166	20	30		FDEDRO
COC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000904477910	851250975	/nfs/dbraw/zinc/25/09/75/851250975.db2.gz	ZNYLDLFFTMMLMJ-GFCCVEGCSA-N	1	0	353.220	1.773	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCN2c2ncc(C#N)cc2F)CC[N@@H+]1C	ZINC001060184587	851396328	/nfs/dbraw/zinc/39/63/28/851396328.db2.gz	IJDJIQBWGLZINI-FVQBIDKESA-N	1	0	359.449	1.908	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1	ZINC000904967004	851524779	/nfs/dbraw/zinc/52/47/79/851524779.db2.gz	UGVBUILRCQRPRV-CMPLNLGQSA-N	1	0	374.388	1.174	20	30		FDEDRO
COC(=O)Cn1cc(C(=O)/C=C/c2ccc(N3CC[NH+](C)CC3)cc2)nn1	ZINC000905084555	851635838	/nfs/dbraw/zinc/63/58/38/851635838.db2.gz	LXYGJSAGQYUGEX-VMPITWQZSA-N	1	0	369.425	1.099	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH2+]C[C@@H](O)CCC3(O)CCC3)C2=O)cc1	ZINC000905202884	851746185	/nfs/dbraw/zinc/74/61/85/851746185.db2.gz	ORJUXQYTGXUVEI-ROUUACIJSA-N	1	0	357.454	1.699	20	30		FDEDRO
C#CCOCC[NH2+]C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2	ZINC000905209669	851752536	/nfs/dbraw/zinc/75/25/36/851752536.db2.gz	RSKCYXIRRBFKAU-INIZCTEOSA-N	1	0	370.371	1.406	20	30		FDEDRO
C#C[C@H]([NH2+]C[C@H](O)COc1cn(-c2ccccc2)nc1C(=O)OC)C(C)C	ZINC000905245886	851770443	/nfs/dbraw/zinc/77/04/43/851770443.db2.gz	YCEHKHATDFLVJQ-IRXDYDNUSA-N	1	0	371.437	1.646	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)CC1(O)CCC(C(=O)OCC)CC1	ZINC000905292719	851798487	/nfs/dbraw/zinc/79/84/87/851798487.db2.gz	XYCSLNZRESPVGG-JBWWOZQKSA-N	1	0	355.475	1.403	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1	ZINC000913516677	862298164	/nfs/dbraw/zinc/29/81/64/862298164.db2.gz	ABUDRCPSRLVXCD-AWEZNQCLSA-N	1	0	368.403	1.998	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1	ZINC000913515068	862295305	/nfs/dbraw/zinc/29/53/05/862295305.db2.gz	HOZAKQXXDIUCPR-UHFFFAOYSA-N	1	0	373.478	1.189	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)C1(NC(=O)NCc2ccccc2)CCCC1	ZINC000913516175	862298538	/nfs/dbraw/zinc/29/85/38/862298538.db2.gz	FEYODHBNSGARSE-UHFFFAOYSA-N	1	0	356.470	1.480	20	30		FDEDRO
C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)O2	ZINC000905481047	851952993	/nfs/dbraw/zinc/95/29/93/851952993.db2.gz	CTDXAXALBRRYFK-FSNPWBFUSA-N	1	0	352.475	1.620	20	30		FDEDRO
CN(C(=O)OC(C)(C)C)[C@H](C(=O)NCC#CC[NH+](C)C)c1cnn(C)c1	ZINC000913520841	862306457	/nfs/dbraw/zinc/30/64/57/862306457.db2.gz	AEHKDRMZGQZOEE-HNNXBMFYSA-N	1	0	363.462	1.009	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@H](O)Cc2ccccc2F)cc1	ZINC000905471879	851970432	/nfs/dbraw/zinc/97/04/32/851970432.db2.gz	IFCALECPODQIIX-QZTJIDSGSA-N	1	0	358.413	1.825	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(c2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)C1=O	ZINC000905489083	851989913	/nfs/dbraw/zinc/98/99/13/851989913.db2.gz	RDUMHZSJWIQZOM-ZWKOTPCHSA-N	1	0	370.453	1.598	20	30		FDEDRO
C[C@@H]1C[C@]2(CC[C@H](C[NH2+]CCS(=O)(=O)c3ccc(C#N)cc3)O2)CO1	ZINC000905488377	851989928	/nfs/dbraw/zinc/98/99/28/851989928.db2.gz	WSSAREZREYXVDZ-QGPMSJSTSA-N	1	0	364.467	1.648	20	30		FDEDRO
COC(=O)[C@@H](C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)Cc1ccccc1	ZINC000905528932	852023007	/nfs/dbraw/zinc/02/30/07/852023007.db2.gz	KVQZEROZGNNBEP-MSOLQXFVSA-N	1	0	360.454	1.679	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCN(CC)C2=O)c(OC)c1	ZINC000905549426	852050380	/nfs/dbraw/zinc/05/03/80/852050380.db2.gz	FSJMRKDMZWJPMY-IAGOWNOFSA-N	1	0	362.470	1.764	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCN2C2CCOCC2)c1	ZINC000905619966	852091872	/nfs/dbraw/zinc/09/18/72/852091872.db2.gz	PMJCXIQEDPHGNZ-KRWDZBQOSA-N	1	0	363.483	1.175	20	30		FDEDRO
C=CC[C@@H](NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)C(=O)OC	ZINC000905758532	852248778	/nfs/dbraw/zinc/24/87/78/852248778.db2.gz	CRSYGJZXZHFGDP-LLVKDONJSA-N	1	0	358.382	1.255	20	30		FDEDRO
N#Cc1cccc(NC(=O)C2CC[NH+](C[C@@H](O)C3(O)CCCC3)CC2)c1	ZINC000905921188	852411372	/nfs/dbraw/zinc/41/13/72/852411372.db2.gz	DUASUGIBZLQTSG-GOSISDBHSA-N	1	0	357.454	1.875	20	30		FDEDRO
C#CCN(C(=O)[C@H]1CSCN1C(=O)CCCC)C1CC[NH+](C)CC1	ZINC000906452018	852901466	/nfs/dbraw/zinc/90/14/66/852901466.db2.gz	MSQNJJBAFUUZND-MRXNPFEDSA-N	1	0	351.516	1.634	20	30		FDEDRO
C#CCN(C(=O)[C@@H](CCC)CCCS(C)(=O)=O)C1CC[NH+](C)CC1	ZINC000906452311	852901478	/nfs/dbraw/zinc/90/14/78/852901478.db2.gz	QQYXJMDHNVBGNQ-INIZCTEOSA-N	1	0	356.532	1.784	20	30		FDEDRO
N#C[C@@]1(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC2CCC1CC2	ZINC000906561286	852982365	/nfs/dbraw/zinc/98/23/65/852982365.db2.gz	XTWLFMRBJVDVKZ-UHYCVJNDSA-N	1	0	358.486	1.473	20	30		FDEDRO
C=CCC1(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CN(C(=O)OC(C)(C)C)C1	ZINC000906650537	853100828	/nfs/dbraw/zinc/10/08/28/853100828.db2.gz	NBQDMJYHFQLIJL-OAHLLOKOSA-N	1	0	366.506	1.162	20	30		FDEDRO
CNC(=S)C(C(=O)c1ccc2c(c1)OCCO2)[n+]1ccc(N(C)C)cc1	ZINC000055009416	862427483	/nfs/dbraw/zinc/42/74/83/862427483.db2.gz	CPANUDHDQUHVOP-UHFFFAOYSA-O	1	0	372.470	1.970	20	30		FDEDRO
N#C[C@]1(C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)CC2CCC1CC2	ZINC000906672528	853139913	/nfs/dbraw/zinc/13/99/13/853139913.db2.gz	CZMWWOVBVPVVDL-WIXQSORDSA-N	1	0	372.513	1.863	20	30		FDEDRO
Cc1cc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc(C)c1C#N	ZINC000906714121	853204289	/nfs/dbraw/zinc/20/42/89/853204289.db2.gz	OUNPISQIIYKEGK-GOSISDBHSA-N	1	0	356.470	1.311	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)c2ccsc2C#N)CC1	ZINC000906927754	853521389	/nfs/dbraw/zinc/52/13/89/853521389.db2.gz	HOKPHTQKXJMRGW-UHFFFAOYSA-N	1	0	362.499	1.976	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cn2)[C@H](C)C1	ZINC000906947766	853615655	/nfs/dbraw/zinc/61/56/55/853615655.db2.gz	QNAURJHLEBTISW-GDBMZVCRSA-N	1	0	366.487	1.369	20	30		FDEDRO
C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000907270296	853973874	/nfs/dbraw/zinc/97/38/74/853973874.db2.gz	NUKXYYPXDXVYIV-FXAWDEMLSA-N	1	0	370.453	1.017	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1OC	ZINC001212148936	862598794	/nfs/dbraw/zinc/59/87/94/862598794.db2.gz	VKPOJZZDGPXPKL-KZNAEPCWSA-N	1	0	352.475	1.191	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21	ZINC000908205741	855192932	/nfs/dbraw/zinc/19/29/32/855192932.db2.gz	QTKGENZJXIVQKO-CVEARBPZSA-N	1	0	357.454	1.530	20	30		FDEDRO
C#CCCCc1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1C	ZINC000908532404	855540011	/nfs/dbraw/zinc/54/00/11/855540011.db2.gz	UTFPNTCUSNTLCP-QZTJIDSGSA-N	1	0	358.534	1.766	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)Cc1cccc(=O)[nH]1	ZINC000908694427	855684251	/nfs/dbraw/zinc/68/42/51/855684251.db2.gz	BRTSRJKSTTYMLK-CVEARBPZSA-N	1	0	370.457	1.737	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[N@@H+](CC)C[C@@H]2C)cc1	ZINC000910293802	857070070	/nfs/dbraw/zinc/07/00/70/857070070.db2.gz	ANYNGBFSOHYVOR-HNNXBMFYSA-N	1	0	365.499	1.707	20	30		FDEDRO
N#C[C@H]1CCCN(c2nnc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2CC2CC2)C1	ZINC000910396124	857165429	/nfs/dbraw/zinc/16/54/29/857165429.db2.gz	WTCIAVGXXOQOJU-ZACQAIPSSA-N	1	0	356.474	1.964	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](OC)C2CCCCC2)CC1	ZINC000668835713	857452987	/nfs/dbraw/zinc/45/29/87/857452987.db2.gz	IDAUXUGBWNMOFK-QGZVFWFLSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC3(CCCC3)OC[C@H]2C)CC1	ZINC000668836202	857524436	/nfs/dbraw/zinc/52/44/36/857524436.db2.gz	SUBWTPMXZLQTPH-MRXNPFEDSA-N	1	0	363.502	1.703	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1	ZINC000910908036	857827829	/nfs/dbraw/zinc/82/78/29/857827829.db2.gz	XWIQDZIIYNFNJT-OAHLLOKOSA-N	1	0	360.483	1.711	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N1CC[NH2+]CCC12CCOCC2)c1ccncc1	ZINC000911000676	858017703	/nfs/dbraw/zinc/01/77/03/858017703.db2.gz	GNPHQRUUVTXZAG-KRWDZBQOSA-N	1	0	372.469	1.186	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccncc1	ZINC000911001745	858019460	/nfs/dbraw/zinc/01/94/60/858019460.db2.gz	OABMZLPQTNOQCC-RCCFBDPRSA-N	1	0	350.422	1.556	20	30		FDEDRO
CCCCCCCCNC(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1	ZINC000911266901	858419326	/nfs/dbraw/zinc/41/93/26/858419326.db2.gz	JVHDRMJAZNPUPC-MRXNPFEDSA-N	1	0	353.507	1.820	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1	ZINC000911330454	858471146	/nfs/dbraw/zinc/47/11/46/858471146.db2.gz	OZTDHKOYECWYKB-UWUNEBHHSA-N	1	0	361.511	1.587	20	30		FDEDRO
N#Cc1ccccc1CN1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1	ZINC001083645423	858626800	/nfs/dbraw/zinc/62/68/00/858626800.db2.gz	ZTWRBCDJIHGQIE-MOPGFXCFSA-N	1	0	361.405	1.181	20	30		FDEDRO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(F)(F)c1ccccc1C#N	ZINC000911544180	858743154	/nfs/dbraw/zinc/74/31/54/858743154.db2.gz	HONPXQLBEYQWSB-GFCCVEGCSA-N	1	0	350.369	1.228	20	30		FDEDRO
N#CC1(c2ccccn2)CCN(C(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CC1	ZINC000911564731	858785489	/nfs/dbraw/zinc/78/54/89/858785489.db2.gz	VPAYKOVOJLUSFR-MRXNPFEDSA-N	1	0	369.469	1.114	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N(CC)[C@@H]1CC[N@H+](CC)C1	ZINC000668883875	858896337	/nfs/dbraw/zinc/89/63/37/858896337.db2.gz	OVDDSVXQVOFYKB-QGZVFWFLSA-N	1	0	359.470	1.810	20	30		FDEDRO
CC(C)c1scnc1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106864532	881368714	/nfs/dbraw/zinc/36/87/14/881368714.db2.gz	QXLQHRFEDDRBDB-CHWSQXEVSA-N	1	0	363.487	1.204	20	30		FDEDRO
CN1C(=O)CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000911922234	859112037	/nfs/dbraw/zinc/11/20/37/859112037.db2.gz	USXVELTWVWVEAT-GOSISDBHSA-N	1	0	354.454	1.650	20	30		FDEDRO
Cc1ncc(S(=O)(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1C#N	ZINC000489119601	859268881	/nfs/dbraw/zinc/26/88/81/859268881.db2.gz	WVAOJBTWSFJSRB-UHFFFAOYSA-N	1	0	370.478	1.988	20	30		FDEDRO
C=C1CN(C(=O)c2cc(S(=O)(=O)NCCC[NH+](C)C)ccc2C)C1	ZINC000912447714	859780759	/nfs/dbraw/zinc/78/07/59/859780759.db2.gz	JNTGUUISRAJVLO-UHFFFAOYSA-N	1	0	351.472	1.237	20	30		FDEDRO
C=CCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1	ZINC000912475957	859816398	/nfs/dbraw/zinc/81/63/98/859816398.db2.gz	VNMOGHWVFWQULA-KRWDZBQOSA-N	1	0	363.433	1.559	20	30		FDEDRO
CC(C)(C)[NH+]=C(NCCCN1CCOCC1)NCCc1ccc(O)cc1	ZINC000912499311	859826883	/nfs/dbraw/zinc/82/68/83/859826883.db2.gz	OWKPMZQFKOCPKQ-UHFFFAOYSA-N	1	0	362.518	1.991	20	30		FDEDRO
CN(CC[N@H+](C)CCO)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1	ZINC000912603709	859945159	/nfs/dbraw/zinc/94/51/59/859945159.db2.gz	MJBXHQSLCPMDGJ-UHFFFAOYSA-N	1	0	362.449	1.296	20	30		FDEDRO
Cc1c(C(=O)N2CC[NH2+][C@@H](Cc3ccc(F)cc3)C2)cnn1CCC#N	ZINC001168743147	881497499	/nfs/dbraw/zinc/49/74/99/881497499.db2.gz	NHTXHFIXWSHLQJ-KRWDZBQOSA-N	1	0	355.417	1.901	20	30		FDEDRO
C=CCn1c(-c2cc[nH]n2)nnc1N1CCN(c2cc[nH+]cc2OC)CC1	ZINC000669031039	860290538	/nfs/dbraw/zinc/29/05/38/860290538.db2.gz	BLUDSXBNEFOIAY-UHFFFAOYSA-N	1	0	366.429	1.584	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1	ZINC000669036684	860887262	/nfs/dbraw/zinc/88/72/62/860887262.db2.gz	QQQIRQUZFWQETP-IAGOWNOFSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=CCn1c(-c2cn(C)nn2)nnc1N1CC[NH+](CC2CCCCC2)CC1	ZINC000669038980	860918103	/nfs/dbraw/zinc/91/81/03/860918103.db2.gz	CHBARGHUMLCOPQ-UHFFFAOYSA-N	1	0	370.505	1.962	20	30		FDEDRO
C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1	ZINC001108092935	881606484	/nfs/dbraw/zinc/60/64/84/881606484.db2.gz	OZAFYKICUXXNRU-BMFAXAFESA-N	1	0	352.475	1.211	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCO[C@@H](c2ccc(S(C)(=O)=O)cc2)C1	ZINC000912976915	861142418	/nfs/dbraw/zinc/14/24/18/861142418.db2.gz	DPLTZHCBOOHQNS-QGZVFWFLSA-N	1	0	366.483	1.498	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2occc2C)C[C@H]1C	ZINC001105821289	863379664	/nfs/dbraw/zinc/37/96/64/863379664.db2.gz	JAJJLARXJXOHTB-HZPDHXFCSA-N	1	0	360.458	1.648	20	30		FDEDRO
CC(C)N(C)C(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C	ZINC001105848513	863495522	/nfs/dbraw/zinc/49/55/22/863495522.db2.gz	ZWKVGQUDGPJETQ-RBSFLKMASA-N	1	0	354.520	1.183	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)SC)C[C@H]1C	ZINC001105854043	863507330	/nfs/dbraw/zinc/50/73/30/863507330.db2.gz	KXSCSGCJEBVKBI-OWCLPIDISA-N	1	0	353.532	1.623	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCCO2)C[C@H]1C	ZINC001105859084	863520012	/nfs/dbraw/zinc/52/00/12/863520012.db2.gz	RYHNLYHAKRRVAS-KZNAEPCWSA-N	1	0	363.502	1.440	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1	ZINC000916469605	881673718	/nfs/dbraw/zinc/67/37/18/881673718.db2.gz	PGZCBGBEKZZXEZ-UHFFFAOYSA-N	1	0	366.469	1.319	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc3n[nH]nc32)C[C@H]1C(F)(F)F	ZINC001112107120	863586408	/nfs/dbraw/zinc/58/64/08/863586408.db2.gz	PKKIRNHJKRORAO-DGCLKSJQSA-N	1	0	351.332	1.574	20	30		FDEDRO
CCCC(=O)NCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1	ZINC001105890978	863707725	/nfs/dbraw/zinc/70/77/25/863707725.db2.gz	NUMIOCAOLAHEEJ-ZIAGYGMSSA-N	1	0	362.499	1.720	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CCNC(=O)NC(C)C)[C@H](C)C1	ZINC001105908875	863910078	/nfs/dbraw/zinc/91/00/78/863910078.db2.gz	BBUQFPWETWBAJO-BRWVUGGUSA-N	1	0	368.522	1.359	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1C	ZINC001105910937	863923598	/nfs/dbraw/zinc/92/35/98/863923598.db2.gz	CANIJQOUZBOMDN-HZPDHXFCSA-N	1	0	361.490	1.142	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1OCC#N)[NH+]1CCCCC1	ZINC000761047353	863930417	/nfs/dbraw/zinc/93/04/17/863930417.db2.gz	GSOUHXDVSDIJCA-CYBMUJFWSA-N	1	0	362.405	1.657	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NC2CC2)[C@H](C)C1	ZINC001105923732	864032170	/nfs/dbraw/zinc/03/21/70/864032170.db2.gz	GHMNLFYSWQQJLW-MGPQQGTHSA-N	1	0	350.463	1.013	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)COC)C[C@H]1C	ZINC001105934059	864094920	/nfs/dbraw/zinc/09/49/20/864094920.db2.gz	JGZXELOEKDKIBB-BRWVUGGUSA-N	1	0	353.507	1.378	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(C)(C)CC)[C@H](C)C1	ZINC001105938734	864133765	/nfs/dbraw/zinc/13/37/65/864133765.db2.gz	XOBDUUFJSMBLJJ-BZUAXINKSA-N	1	0	353.507	1.566	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1	ZINC000641841162	864146037	/nfs/dbraw/zinc/14/60/37/864146037.db2.gz	NDABEAOSYCOGQY-RTBURBONSA-N	1	0	364.534	1.781	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+][C@@H]2CCN(c3ccccc3)C2=O)[C@H](C)C1	ZINC001105941594	864150247	/nfs/dbraw/zinc/15/02/47/864150247.db2.gz	DBZAFBOHTYUYEI-ZHALLVOQSA-N	1	0	371.481	1.679	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CCn2c(C)csc2=O)[C@H](C)C1	ZINC001105941934	864154025	/nfs/dbraw/zinc/15/40/25/864154025.db2.gz	QSMUDXHEWXESDZ-UKRRQHHQSA-N	1	0	353.488	1.105	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cccc(C)c2)[C@H](C)C1	ZINC001105943135	864165077	/nfs/dbraw/zinc/16/50/77/864165077.db2.gz	WVIPXBGKPAXREN-IAGOWNOFSA-N	1	0	359.470	1.820	20	30		FDEDRO
COc1ccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)cc1	ZINC001105946652	864191874	/nfs/dbraw/zinc/19/18/74/864191874.db2.gz	XRIGNQOJZAOOMX-RBSFLKMASA-N	1	0	358.442	1.477	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cc(F)ccc2F)[C@H](C)C1	ZINC001105951332	864209423	/nfs/dbraw/zinc/20/94/23/864209423.db2.gz	BUCJMRORBRNKKR-YNEHKIRRSA-N	1	0	364.396	1.747	20	30		FDEDRO
CCC[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CCC#N)[C@H](C)C1	ZINC001105959284	864240182	/nfs/dbraw/zinc/24/01/82/864240182.db2.gz	QCQJZLRIHQGPAB-GVDBMIGSSA-N	1	0	350.507	1.869	20	30		FDEDRO
C=C(CNC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)c1ccccc1	ZINC000669586498	864264803	/nfs/dbraw/zinc/26/48/03/864264803.db2.gz	TWRTXTBSMIDAMC-IEBWSBKVSA-N	1	0	370.497	1.990	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)/C=C/C2CC2)C[C@H]1C	ZINC001105977599	864309978	/nfs/dbraw/zinc/30/99/78/864309978.db2.gz	XTPNNSKGUGKRNR-LJABONGZSA-N	1	0	362.474	1.037	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cncc(C)c2)C[C@H]1C	ZINC001105977875	864311139	/nfs/dbraw/zinc/31/11/39/864311139.db2.gz	CFFUCNLSMIBFAU-IEBWSBKVSA-N	1	0	370.497	1.888	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]CCn2nc(C)nc2C)[C@H](C)C1	ZINC001105987577	864365696	/nfs/dbraw/zinc/36/56/96/864365696.db2.gz	LEHCLRGGGAKJDP-CRAIPNDOSA-N	1	0	363.506	1.562	20	30		FDEDRO
CCN(CC)C(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC001105989354	864383900	/nfs/dbraw/zinc/38/39/00/864383900.db2.gz	ZGCCWZDHLXFUFO-IIAWOOMASA-N	1	0	359.474	1.441	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(Cc3ccnc(N(C)C)c3)[C@@H]2C)c1	ZINC001088846638	864551459	/nfs/dbraw/zinc/55/14/59/864551459.db2.gz	YOOPZYMLBLPFPB-BEFAXECRSA-N	1	0	363.465	1.917	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]CC(=O)N1CCCC[C@H]1C	ZINC001106016991	864641091	/nfs/dbraw/zinc/64/10/91/864641091.db2.gz	BSNZNRNVSGWTOY-BZUAXINKSA-N	1	0	371.485	1.585	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@H]2CCCO2)[C@H](C)C1	ZINC001106026081	864811403	/nfs/dbraw/zinc/81/14/03/864811403.db2.gz	UTIVSENTYVMHSN-KZNAEPCWSA-N	1	0	363.502	1.159	20	30		FDEDRO
CC(C)N(C)C(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC001106028028	864865137	/nfs/dbraw/zinc/86/51/37/864865137.db2.gz	NWPOMUZKDYCWRA-IJEWVQPXSA-N	1	0	359.474	1.439	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2c(C)cccc2C)[C@H](C)C1	ZINC001106028966	864874600	/nfs/dbraw/zinc/87/46/00/864874600.db2.gz	BWGCPDCTCISETF-QZTJIDSGSA-N	1	0	355.482	1.627	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2cc(F)cc(F)c2)[C@H](C)C1	ZINC001106029453	864883057	/nfs/dbraw/zinc/88/30/57/864883057.db2.gz	SJZVDVRSAQFVER-UKRRQHHQSA-N	1	0	363.408	1.288	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]C[C@@H](OC)C2CCCC2)[C@H](C)C1	ZINC001106034602	864912824	/nfs/dbraw/zinc/91/28/24/864912824.db2.gz	IFRLLSWKQWIWEE-KBAYOESNSA-N	1	0	363.502	1.015	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+][C@H](C)c2cccc(C)c2)[C@H](C)C1	ZINC001106034789	864915097	/nfs/dbraw/zinc/91/50/97/864915097.db2.gz	MITZGOIUKNHFOG-ZHALLVOQSA-N	1	0	355.482	1.880	20	30		FDEDRO
CNC(=O)CCCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1	ZINC001106039948	864938042	/nfs/dbraw/zinc/93/80/42/864938042.db2.gz	CBUFBVVFMKEYIA-ZIAGYGMSSA-N	1	0	362.499	1.720	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1CN(CC(=O)N(CCC)CCC)C[C@H]1OC	ZINC001212187363	864940661	/nfs/dbraw/zinc/94/06/61/864940661.db2.gz	QEDWCRWAXIJBGF-IAGOWNOFSA-N	1	0	351.491	1.254	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)/C=C\c2ccc[nH]2)C[C@H]1C	ZINC001106050486	865013503	/nfs/dbraw/zinc/01/35/03/865013503.db2.gz	QXQAHVYVMZXXPT-MHEJJFAZSA-N	1	0	370.497	1.913	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCCC2)[C@H](C)C1	ZINC001106058778	865065441	/nfs/dbraw/zinc/06/54/41/865065441.db2.gz	IAUQCMZOGSACLI-MDZRGWNJSA-N	1	0	351.491	1.010	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nccn2C(F)F)[C@H](C)C1	ZINC001106059595	865069819	/nfs/dbraw/zinc/06/98/19/865069819.db2.gz	YFXMCJBCKRTAIF-PBFPGSCMSA-N	1	0	356.417	1.789	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](CCO[C@H]3CC3(F)F)[C@@H]2C)nn1	ZINC001088911309	865393148	/nfs/dbraw/zinc/39/31/48/865393148.db2.gz	JTGOYDOMZJMGBW-IPYPFGDCSA-N	1	0	369.416	1.471	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)[C@@H]1C	ZINC001088914102	865410584	/nfs/dbraw/zinc/41/05/84/865410584.db2.gz	JGWZZFHHKYEVMZ-WMEZAQDKSA-N	1	0	359.470	1.446	20	30		FDEDRO
COc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[C@@H]3CCC(=O)N3)[C@H]2C)cc1C#N	ZINC001088916645	865425789	/nfs/dbraw/zinc/42/57/89/865425789.db2.gz	ZQWFFKLIMRGWIB-COXVUDFISA-N	1	0	370.453	1.315	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1Cc1ccc(C#N)c(F)c1	ZINC001088983189	865911190	/nfs/dbraw/zinc/91/11/90/865911190.db2.gz	LPNSJVLTXWNHRB-KDOFPFPSSA-N	1	0	356.445	1.872	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1Cc1cc(C#N)ccc1F	ZINC001088983575	865915976	/nfs/dbraw/zinc/91/59/76/865915976.db2.gz	DTCWKZWPCFJLSB-KDOFPFPSSA-N	1	0	356.445	1.872	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCCN3CCCC3=O)[C@@H]2C)nc1	ZINC001088990924	865950829	/nfs/dbraw/zinc/95/08/29/865950829.db2.gz	XPLZPEPGGNYEGN-WBVHZDCISA-N	1	0	354.454	1.268	20	30		FDEDRO
Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCC[C@@H]1CN1CCOCC1	ZINC000173373464	865969359	/nfs/dbraw/zinc/96/93/59/865969359.db2.gz	OPQZUEYVEPTFMQ-LJQANCHMSA-N	1	0	366.469	1.879	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3ccc(F)cc3)[C@H]2C)C1=O	ZINC001089015588	866041429	/nfs/dbraw/zinc/04/14/29/866041429.db2.gz	GOSKGOPZGGCXKR-JLSDUUJJSA-N	1	0	359.445	1.734	20	30		FDEDRO
C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1=O	ZINC000456260112	866800933	/nfs/dbraw/zinc/80/09/33/866800933.db2.gz	FEWVQHHPSGCLNP-HNNXBMFYSA-N	1	0	370.409	1.151	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C1	ZINC000991987991	866855372	/nfs/dbraw/zinc/85/53/72/866855372.db2.gz	OVMROCCDBMIFJI-AOIWGVFYSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1	ZINC000992030333	867259872	/nfs/dbraw/zinc/25/98/72/867259872.db2.gz	ZMUIZZGSLDDXIK-NJAFHUGGSA-N	1	0	363.502	1.559	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1O	ZINC000443047653	867939650	/nfs/dbraw/zinc/93/96/50/867939650.db2.gz	INOMEICISDQBNQ-MOPGFXCFSA-N	1	0	365.433	1.877	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1C	ZINC001106095932	867993241	/nfs/dbraw/zinc/99/32/41/867993241.db2.gz	QMJYCAYYGPGOCB-IAGOWNOFSA-N	1	0	365.518	1.400	20	30		FDEDRO
C=CCn1cccc1C(=O)NC1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000992154702	868048343	/nfs/dbraw/zinc/04/83/43/868048343.db2.gz	CFCOIQBAAJTAOE-RDHHWEPZSA-N	1	0	358.486	1.639	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@]3(NC(=O)[C@H]4C[C@H]4C(N)=O)CCC[C@H]23)s1	ZINC000992183078	868198357	/nfs/dbraw/zinc/19/83/57/868198357.db2.gz	SKIRXVUHFBSWEX-LDDOYCOJSA-N	1	0	358.467	1.354	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C[NH2+][C@@H]1CCN(C2CCC2)C1=O	ZINC001106109841	868304678	/nfs/dbraw/zinc/30/46/78/868304678.db2.gz	YDQVHMUWGPAJCE-JFIYKMOQSA-N	1	0	359.514	1.873	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)c2ccccc2)[C@H](C)C1	ZINC001106111876	868394127	/nfs/dbraw/zinc/39/41/27/868394127.db2.gz	RWXAUTCKKDCZOS-KZNAEPCWSA-N	1	0	371.481	1.372	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CC3(COC)CC3)C[C@H]2C)C1=O	ZINC001106113519	868472043	/nfs/dbraw/zinc/47/20/43/868472043.db2.gz	FMWFLVUSKDYLDX-BRWVUGGUSA-N	1	0	363.502	1.274	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(N)=O)[C@H](C)C2)cc1	ZINC001106113597	868476274	/nfs/dbraw/zinc/47/62/74/868476274.db2.gz	GZFOZFLHXNKWBB-HLLBOEOZSA-N	1	0	357.454	1.260	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@H+](CCc1ccnn1C)CC2	ZINC000992238553	868543383	/nfs/dbraw/zinc/54/33/83/868543383.db2.gz	FLCWEBXPDYIWFF-LXZJYRNTSA-N	1	0	358.486	1.667	20	30		FDEDRO
C=CCOc1cc(OC)ccc1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1	ZINC000463512505	868549693	/nfs/dbraw/zinc/54/96/93/868549693.db2.gz	GDIGUYQZSGRQII-UHFFFAOYSA-N	1	0	361.442	1.106	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2cnn(C(C)(C)C)c2)[C@H](C)C1	ZINC001106116502	868576567	/nfs/dbraw/zinc/57/65/67/868576567.db2.gz	GIIZZTCYGZQNES-SJLPKXTDSA-N	1	0	360.502	1.862	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CCOc2cccc(F)c2)[C@H](C)C1	ZINC001106116989	868583290	/nfs/dbraw/zinc/58/32/90/868583290.db2.gz	VTYYTOKFPSCMSB-BRWVUGGUSA-N	1	0	362.445	1.927	20	30		FDEDRO
C=CCCOCCCCC(=O)N1C[C@@H](C[NH2+][C@H]2CCNC2=O)[C@H](C)C1	ZINC001106122651	868873138	/nfs/dbraw/zinc/87/31/38/868873138.db2.gz	DCUFEZBGGDOPHP-ZACQAIPSSA-N	1	0	351.491	1.322	20	30		FDEDRO
Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106126058	868990953	/nfs/dbraw/zinc/99/09/53/868990953.db2.gz	JZMLHVHQXKKDQR-KLHDSHLOSA-N	1	0	374.510	1.484	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(Cc3cc(F)ccc3OC)C[C@@H]2O)cc1	ZINC001083691287	869088889	/nfs/dbraw/zinc/08/88/89/869088889.db2.gz	IDIQSZRLXIBXTI-MOPGFXCFSA-N	1	0	368.408	1.791	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nnc(CC)o2)C1	ZINC001112334870	869188199	/nfs/dbraw/zinc/18/81/99/869188199.db2.gz	MKUCGHRCJFTHOL-JVPBZIDWSA-N	1	0	362.474	1.677	20	30		FDEDRO
CC(C)(C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O)[NH+]1CCCC1	ZINC001083696120	869339284	/nfs/dbraw/zinc/33/92/84/869339284.db2.gz	KLEWOVPIGIJPAK-MOPGFXCFSA-N	1	0	355.482	1.074	20	30		FDEDRO
C#CCN(C(=O)NCCc1ccc(OC)c(OC)c1)C1CC[NH+](C)CC1	ZINC000913850916	869782784	/nfs/dbraw/zinc/78/27/84/869782784.db2.gz	UWUWUVNSBJGLPU-UHFFFAOYSA-N	1	0	359.470	1.985	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1C[C@H](C)O[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000914144451	871079493	/nfs/dbraw/zinc/07/94/93/871079493.db2.gz	AMMVGKPFVAVZLJ-KXBFYZLASA-N	1	0	367.490	1.731	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNc2nc(Cl)c(C#N)s2)CC[N@@H+]1C	ZINC001106141279	871121101	/nfs/dbraw/zinc/12/11/01/871121101.db2.gz	AOKUOUDYWVIJQY-OUAUKWLOSA-N	1	0	371.894	1.287	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)cn2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106145624	871365875	/nfs/dbraw/zinc/36/58/75/871365875.db2.gz	DQPKOHXJYNZYKT-HUUCEWRRSA-N	1	0	371.485	1.317	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2coc(S(C)(=O)=O)c2)C[C@H]1C	ZINC001106152446	871432844	/nfs/dbraw/zinc/43/28/44/871432844.db2.gz	VHVSESLCZJPBHS-ZWNOBZJWSA-N	1	0	360.863	1.733	20	30		FDEDRO
CC#CCCNC(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000922041631	871506290	/nfs/dbraw/zinc/50/62/90/871506290.db2.gz	YLLMSAPOLIZECS-UHFFFAOYSA-N	1	0	352.479	1.688	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)NC(=O)COC)C[C@H]1C	ZINC001106167503	871535521	/nfs/dbraw/zinc/53/55/21/871535521.db2.gz	BTUGCGDUHXULGZ-IXDOHACOSA-N	1	0	353.507	1.568	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCCC(C)(C)C)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106171086	871574252	/nfs/dbraw/zinc/57/42/52/871574252.db2.gz	GXIHCFVGORFGRG-HZPDHXFCSA-N	1	0	350.507	1.917	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CCC2=O)[C@H](C)C1	ZINC001106179507	871639204	/nfs/dbraw/zinc/63/92/04/871639204.db2.gz	URRBBAZBQKDWRH-TZMCWYRMSA-N	1	0	369.893	1.598	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]2C)nc1	ZINC000994391289	882547120	/nfs/dbraw/zinc/54/71/20/882547120.db2.gz	UTCZODKZEBUVKU-LSBZLQRGSA-N	1	0	368.481	1.227	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@@H](CC(C)C)NC(=O)OCC)CC1	ZINC000914206879	871848936	/nfs/dbraw/zinc/84/89/36/871848936.db2.gz	ASHDGXIDSLNQSX-MRXNPFEDSA-N	1	0	352.479	1.544	20	30		FDEDRO
N#Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[NH+]4CCC2CC4)C3)c[nH]1	ZINC001002950119	871969144	/nfs/dbraw/zinc/96/91/44/871969144.db2.gz	GPZJTCQPMIZUDH-TVFCKZIOSA-N	1	0	367.453	1.090	20	30		FDEDRO
C[NH+](C)CCOC1CCN(C(=O)NCCOc2ccc(C#N)cc2)CC1	ZINC000466103052	872681650	/nfs/dbraw/zinc/68/16/50/872681650.db2.gz	CDWRAPZVERLPIM-UHFFFAOYSA-N	1	0	360.458	1.689	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NC)[C@H](C)C1	ZINC001106181199	873018969	/nfs/dbraw/zinc/01/89/69/873018969.db2.gz	KNZFEGYWEYMLFY-MGPQQGTHSA-N	1	0	352.479	1.117	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc3c(n2)OCCO3)[C@H](OC)C1	ZINC001212510134	873096979	/nfs/dbraw/zinc/09/69/79/873096979.db2.gz	WZACKQZSPFYJFC-FRFSOERESA-N	1	0	361.442	1.637	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC1	ZINC001003362802	873215574	/nfs/dbraw/zinc/21/55/74/873215574.db2.gz	FOXJEOJZJNGWCD-YRIPFXIYSA-N	1	0	369.509	1.626	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccsc2)CC1	ZINC001003363401	873217253	/nfs/dbraw/zinc/21/72/53/873217253.db2.gz	OAOUDUCWGDSZFB-KURKYZTESA-N	1	0	371.506	1.955	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cncs2)CC1	ZINC001003363719	873217945	/nfs/dbraw/zinc/21/79/45/873217945.db2.gz	SPCCNBVBVUBIQC-OAGGEKHMSA-N	1	0	372.494	1.350	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(C#N)[nH]1	ZINC001003367036	873221725	/nfs/dbraw/zinc/22/17/25/873221725.db2.gz	BKSIXOLABRIPFX-NRSFXHEJSA-N	1	0	369.469	1.622	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+]CC2(CS(C)(=O)=O)CC2)[C@H](C)C1	ZINC001106193923	873275806	/nfs/dbraw/zinc/27/58/06/873275806.db2.gz	YZWSAEDSAZMNJS-HZPDHXFCSA-N	1	0	356.532	1.852	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCCC2(CNc3nccnc3C#N)CC2)CC[N@@H+]1C	ZINC001090008891	873441428	/nfs/dbraw/zinc/44/14/28/873441428.db2.gz	QJCOOYTVCFOXNT-GOEBONIOSA-N	1	0	356.474	1.777	20	30		FDEDRO
CCc1nc(C#N)cc(NCC2(CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1	ZINC001090009082	873492469	/nfs/dbraw/zinc/49/24/69/873492469.db2.gz	TUXVCNOBSOVHTE-GDBMZVCRSA-N	1	0	370.501	1.949	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1ccc(C)cc1=O)C2	ZINC001112538084	873614761	/nfs/dbraw/zinc/61/47/61/873614761.db2.gz	OGUCFWHBSDKEAI-RXVVDRJESA-N	1	0	371.481	1.025	20	30		FDEDRO
C[C@@H]1CN(C(=O)CN(C)C(=O)C2CC2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001106205303	873690605	/nfs/dbraw/zinc/69/06/05/873690605.db2.gz	LEJIYWKKJYEJMA-DNVCBOLYSA-N	1	0	368.481	1.611	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@]2(C)C1	ZINC000993018074	873695588	/nfs/dbraw/zinc/69/55/88/873695588.db2.gz	FHTWPLWFJKVFOQ-XPIZARPCSA-N	1	0	368.481	1.828	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](N(C)c3nc(C)cc(C#N)n3)C2)CC[N@@H+]1C	ZINC001061280685	873743567	/nfs/dbraw/zinc/74/35/67/873743567.db2.gz	BNKQGWHGMUIKBS-OKZBNKHCSA-N	1	0	370.501	1.814	20	30		FDEDRO
CC[NH+]=C(NCc1ccnc(C)n1)N1CCN(c2nc(CC)ns2)CC1	ZINC000153157660	873825754	/nfs/dbraw/zinc/82/57/54/873825754.db2.gz	QPDPDIQJFPTAOU-UHFFFAOYSA-N	1	0	374.518	1.487	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1	ZINC000993040364	873849264	/nfs/dbraw/zinc/84/92/64/873849264.db2.gz	NIRRLOIGFMLMKZ-FVJLSDCUSA-N	1	0	370.497	1.546	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cn(-c3cccnc3)nn2)C[C@H]1C	ZINC001106220776	873946264	/nfs/dbraw/zinc/94/62/64/873946264.db2.gz	WEVOLQJGWDVLIK-HZPDHXFCSA-N	1	0	354.458	1.926	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2cc(C3CC3)no2)C[C@H]1C	ZINC001106240342	874082242	/nfs/dbraw/zinc/08/22/42/874082242.db2.gz	UVAUVOGJHHLTLM-UKRRQHHQSA-N	1	0	360.458	1.081	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(F)c(F)c2)C[C@H]1C	ZINC001106252203	874143420	/nfs/dbraw/zinc/14/34/20/874143420.db2.gz	FPBZQGDJLZBSIM-VNHYZAJKSA-N	1	0	363.408	1.400	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc3ccccc3c(=O)[nH]2)C[C@H]1C	ZINC001106251516	874150319	/nfs/dbraw/zinc/15/03/19/874150319.db2.gz	HEKMQOMSLGLUGZ-NVXWUHKLSA-N	1	0	367.449	1.888	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cc3c(cn2)OCCO3)C[C@H]1C	ZINC001106263732	874240275	/nfs/dbraw/zinc/24/02/75/874240275.db2.gz	KVGGZDRYIGONDG-DGCLKSJQSA-N	1	0	351.834	1.903	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3oc(=O)[nH]c3c2)C[C@H]1C	ZINC001106283511	874433500	/nfs/dbraw/zinc/43/35/00/874433500.db2.gz	SJFZTJMZIBXDBU-UKRRQHHQSA-N	1	0	357.410	1.481	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCCO3)C[C@H]1C	ZINC001106286588	874467649	/nfs/dbraw/zinc/46/76/49/874467649.db2.gz	KBODGWUDVIFRDZ-YLJYHZDGSA-N	1	0	370.493	1.888	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc3cc[nH]c3n2)C[C@H]1C	ZINC001106286397	874472097	/nfs/dbraw/zinc/47/20/97/874472097.db2.gz	ZYSWGAWLILDSNI-IJEWVQPXSA-N	1	0	369.469	1.551	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccn(CC(F)F)n2)C[C@H]1C	ZINC001106288363	874515331	/nfs/dbraw/zinc/51/53/31/874515331.db2.gz	IRPACNBSRURKEZ-ZIAGYGMSSA-N	1	0	354.401	1.096	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cscc2Cl)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106289884	874524140	/nfs/dbraw/zinc/52/41/40/874524140.db2.gz	HTRCZHLXEUCLIZ-GHMZBOCLSA-N	1	0	354.863	1.339	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)COCc2cc(C)on2)C[C@H]1C	ZINC001106307413	874664247	/nfs/dbraw/zinc/66/42/47/874664247.db2.gz	KUKFTJGZNKQYAK-GDBMZVCRSA-N	1	0	351.447	1.386	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C[NH2+]CCn2cncn2)[C@H](C)C1	ZINC001106330894	874802291	/nfs/dbraw/zinc/80/22/91/874802291.db2.gz	GNVGUIVYMYDNLI-IAGOWNOFSA-N	1	0	369.469	1.841	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(F)cn2)C[C@H]1C	ZINC001106332788	874817166	/nfs/dbraw/zinc/81/71/66/874817166.db2.gz	YYAWLIMDHVBIDG-QLFBSQMISA-N	1	0	362.449	1.138	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2c(C)[nH]cc2NC(C)=O)C[C@H]1C	ZINC001106348992	874865323	/nfs/dbraw/zinc/86/53/23/874865323.db2.gz	BMQWWGYXZLXSKB-CZUORRHYSA-N	1	0	360.458	1.229	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2coc3cc(F)ccc23)C[C@H]1C	ZINC001106352412	874875389	/nfs/dbraw/zinc/87/53/89/874875389.db2.gz	RSAMYAKZNVQORH-ZIAGYGMSSA-N	1	0	371.412	1.619	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2sccc2-n2cnnn2)C[C@H]1C	ZINC001106370902	874960059	/nfs/dbraw/zinc/96/00/59/874960059.db2.gz	GNAVGWYFAROKKH-ZIAGYGMSSA-N	1	0	360.487	1.988	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2coc(OCC)n2)C[C@H]1C	ZINC001106377010	874974719	/nfs/dbraw/zinc/97/47/19/874974719.db2.gz	WSWPMFYAMGYTJP-MGPQQGTHSA-N	1	0	364.446	1.062	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cncn2C)C[C@H]1C	ZINC001106381009	874983816	/nfs/dbraw/zinc/98/38/16/874983816.db2.gz	UBRKGAXHTUNGFH-HZPDHXFCSA-N	1	0	361.490	1.142	20	30		FDEDRO
Cc1sc(Cl)nc1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106407504	875155801	/nfs/dbraw/zinc/15/58/01/875155801.db2.gz	AKKXJSCKSSTKKE-MWLCHTKSSA-N	1	0	369.878	1.042	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CCc2ccc(OC)nc2)C[C@H]1C	ZINC001106409325	875171555	/nfs/dbraw/zinc/17/15/55/875171555.db2.gz	HLHOZQHDXDDQIA-SJLPKXTDSA-N	1	0	361.486	1.910	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c(C)cncc2C)C[C@H]1C	ZINC001106421745	875218410	/nfs/dbraw/zinc/21/84/10/875218410.db2.gz	DTXNXIURYQTFNY-BRWVUGGUSA-N	1	0	358.486	1.687	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCc2ccc(C(N)=O)cc2)C[C@H]1C	ZINC001106422768	875222345	/nfs/dbraw/zinc/22/23/45/875222345.db2.gz	DTUVSZGKYXQTSB-VQIMIIECSA-N	1	0	371.481	1.052	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnc(Cl)n2C)C[C@H]1C	ZINC001106422806	875223540	/nfs/dbraw/zinc/22/35/40/875223540.db2.gz	GWUCPGJXNSYDGC-JHJVBQTASA-N	1	0	367.881	1.062	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(F)c[nH]2)C[C@H]1C	ZINC001106447298	875345501	/nfs/dbraw/zinc/34/55/01/875345501.db2.gz	MECVTRMKTPAWED-HUUCEWRRSA-N	1	0	362.449	1.652	20	30		FDEDRO
CC(=NNC(N)=[NH2+])c1cccc(S(=O)(=O)NC2CCCCCC2)c1	ZINC000915050949	875353518	/nfs/dbraw/zinc/35/35/18/875353518.db2.gz	PWMMMHYYQGYKKQ-UHFFFAOYSA-N	1	0	351.476	1.895	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2cncc(-n3ccnn3)c2)C[C@H]1C	ZINC001106480536	875612196	/nfs/dbraw/zinc/61/21/96/875612196.db2.gz	AQQDSJWVMXJIDN-NVXWUHKLSA-N	1	0	354.458	1.926	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](OCC)C2CCCC2)C[C@H]1C	ZINC001106486763	875624644	/nfs/dbraw/zinc/62/46/44/875624644.db2.gz	GVNFSNCDQYWGIL-SUMDDJOVSA-N	1	0	363.502	1.015	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3cn[nH]c32)C[C@H]1C	ZINC001106508528	875763786	/nfs/dbraw/zinc/76/37/86/875763786.db2.gz	NXQMYCNWUJLCPD-UKRRQHHQSA-N	1	0	355.442	1.163	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@H]2CCCO2)[C@H](C)C1	ZINC001106517877	875814668	/nfs/dbraw/zinc/81/46/68/875814668.db2.gz	XJIKFSQUTGQEGN-BRWVUGGUSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NCC(F)(F)F)[C@H](C)C1	ZINC001106531082	875864339	/nfs/dbraw/zinc/86/43/39/875864339.db2.gz	TURIQVOZOCOXRR-JHJVBQTASA-N	1	0	363.424	1.950	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]CCCS(=O)(=O)N(C)C)[C@H](C)C1	ZINC001106529506	875873390	/nfs/dbraw/zinc/87/33/90/875873390.db2.gz	YEJKGGIJWCORMH-HUUCEWRRSA-N	1	0	359.536	1.164	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C1	ZINC001106533574	875885327	/nfs/dbraw/zinc/88/53/27/875885327.db2.gz	AMWXZIYKVUFKBN-IAGOWNOFSA-N	1	0	356.532	1.689	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NCCCOC)[C@H](C)C1	ZINC001106556082	875945971	/nfs/dbraw/zinc/94/59/71/875945971.db2.gz	FETLVXFAFITXER-KZNAEPCWSA-N	1	0	365.518	1.405	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCCS(=O)(=O)C2)[C@H](C)C1	ZINC001106559140	875965798	/nfs/dbraw/zinc/96/57/98/875965798.db2.gz	GDUQTKBIZORLIS-KZNAEPCWSA-N	1	0	368.543	1.689	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(c3cccnc3)CC2)C[C@H]1C	ZINC001106571016	876000035	/nfs/dbraw/zinc/00/00/35/876000035.db2.gz	JLXODCCJVLBEEO-HZPDHXFCSA-N	1	0	356.470	1.100	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)[nH]c3n2)C[C@H]1C	ZINC001106584934	876044051	/nfs/dbraw/zinc/04/40/51/876044051.db2.gz	APKXUMZGLRYBOW-CHWSQXEVSA-N	1	0	359.430	1.164	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(F)c(F)cc2F)C[C@H]1C	ZINC001106594902	876091402	/nfs/dbraw/zinc/09/14/02/876091402.db2.gz	OGASTZKHUJDZSL-VXGBXAGGSA-N	1	0	369.387	1.704	20	30		FDEDRO
CCc1nc(C#N)cc(NCC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)n1	ZINC001106611340	876194187	/nfs/dbraw/zinc/19/41/87/876194187.db2.gz	ILXIEMAKOLOOGS-CWRNSKLLSA-N	1	0	358.490	1.948	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](C[NH2+]CCNS(=O)(=O)CC)[C@H](C)C1	ZINC001106628393	876270927	/nfs/dbraw/zinc/27/09/27/876270927.db2.gz	MTUFQHMYYGCUTA-INMHGKMJSA-N	1	0	359.536	1.212	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ocnc2C2CC2)C[C@H]1C	ZINC001106662842	876437308	/nfs/dbraw/zinc/43/73/08/876437308.db2.gz	GDYVDSDELBODHD-UMVBOHGHSA-N	1	0	360.458	1.540	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@H]1C	ZINC001106701910	876618669	/nfs/dbraw/zinc/61/86/69/876618669.db2.gz	LZJJJAPMJXRTQA-OWCLPIDISA-N	1	0	359.536	1.355	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cnc3ccccc3c2)C[C@H]1C	ZINC001106701880	876618854	/nfs/dbraw/zinc/61/88/54/876618854.db2.gz	KMAJVEJZBFDLMM-CRAIPNDOSA-N	1	0	364.449	1.282	20	30		FDEDRO
COCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1	ZINC001106726258	876990880	/nfs/dbraw/zinc/99/08/80/876990880.db2.gz	IDMLOPNMYISTKK-QWFCFKBJSA-N	1	0	358.482	1.774	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](Cc2cccc(C(N)=O)c2)CC1	ZINC001003788137	877220307	/nfs/dbraw/zinc/22/03/07/877220307.db2.gz	LGTDHVGHNFJPDW-OALUTQOASA-N	1	0	371.481	1.847	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]CCn2cccn2)[C@H](C)C1	ZINC001106734048	877287017	/nfs/dbraw/zinc/28/70/17/877287017.db2.gz	NEMWMCVBLJQUPB-NXHRZFHOSA-N	1	0	361.490	1.038	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccc(C#N)s3)C2)C1	ZINC000999187529	912220615	/nfs/dbraw/zinc/22/06/15/912220615.db2.gz	VFMHBMNOUOQURW-DVOMOZLQSA-N	1	0	360.483	1.615	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C3)nc1	ZINC001003862235	877414304	/nfs/dbraw/zinc/41/43/04/877414304.db2.gz	HWDCVZLQPHYPOC-OQIJWPOYSA-N	1	0	366.465	1.409	20	30		FDEDRO
Cc1onc(CC(=O)NCc2cccc(CN3CCO[C@H](C)C3)c2)c1C#N	ZINC000499745753	877423276	/nfs/dbraw/zinc/42/32/76/877423276.db2.gz	WFLORTCPUVGPCN-CQSZACIVSA-N	1	0	368.437	1.934	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]C[C@H](OC)C3CCC3)[C@H](C)C2)nn1	ZINC001106743460	877425828	/nfs/dbraw/zinc/42/58/28/877425828.db2.gz	LZABHGRGNYYMJV-KYJSFNMBSA-N	1	0	361.490	1.577	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(cc[nH]c3=O)c2)CC1	ZINC000657627995	877442969	/nfs/dbraw/zinc/44/29/69/877442969.db2.gz	XTYDDAAEYMYOBZ-UHFFFAOYSA-N	1	0	368.437	1.623	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2oc(C(C)C)nc2C)C[C@H]1C	ZINC001106747286	877443119	/nfs/dbraw/zinc/44/31/19/877443119.db2.gz	PXFRZPBHTLLDBG-UKRRQHHQSA-N	1	0	362.474	1.706	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)C[C@H]1C	ZINC001106744882	877451444	/nfs/dbraw/zinc/45/14/44/877451444.db2.gz	HMPHGWDAAKRHIE-OAGGEKHMSA-N	1	0	359.536	1.211	20	30		FDEDRO
CCCc1cc(C(=O)N2C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C2)cc(=O)[nH]1	ZINC001106745479	877459344	/nfs/dbraw/zinc/45/93/44/877459344.db2.gz	NGEPKMPKZPCGHJ-NVXWUHKLSA-N	1	0	359.470	1.687	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]CCc3ccnn3C)[C@H](C)C2)nn1	ZINC001106750182	877507684	/nfs/dbraw/zinc/50/76/84/877507684.db2.gz	RGZMJZMLUYRVED-HZPDHXFCSA-N	1	0	371.489	1.128	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)C)[C@H](C)C1	ZINC001106752731	877523997	/nfs/dbraw/zinc/52/39/97/877523997.db2.gz	IHGUTZCAYCLORE-CBZIJGRNSA-N	1	0	351.491	1.176	20	30		FDEDRO
C[C@@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)C1CCCCC1	ZINC001106755201	877551664	/nfs/dbraw/zinc/55/16/64/877551664.db2.gz	PGUXLADWNXHJHN-LZLYRXPVSA-N	1	0	362.518	1.917	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnn3cc(OC)ccc23)C[C@H]1C	ZINC001106769219	877674665	/nfs/dbraw/zinc/67/46/65/877674665.db2.gz	ISJPWXZXBCAVBT-HZPDHXFCSA-N	1	0	370.453	1.290	20	30		FDEDRO
CC(=O)NC(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1	ZINC001106768968	877695262	/nfs/dbraw/zinc/69/52/62/877695262.db2.gz	CFCOFDUURXZNRP-RDTXWAMCSA-N	1	0	356.470	1.657	20	30		FDEDRO
C=CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C2CCOCC2)CC1	ZINC000282355716	877836245	/nfs/dbraw/zinc/83/62/45/877836245.db2.gz	SQWPUCCCEXZYMY-UHFFFAOYSA-N	1	0	357.462	1.166	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@]3(C)C2)C1	ZINC000993443938	878230809	/nfs/dbraw/zinc/23/08/09/878230809.db2.gz	XRSSZVJZZIVAAR-AUSJPIAWSA-N	1	0	369.469	1.149	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCCOC2)C[C@H]1C	ZINC001106816052	878243948	/nfs/dbraw/zinc/24/39/48/878243948.db2.gz	VTNWEUZPSQCPLU-IXDOHACOSA-N	1	0	351.491	1.180	20	30		FDEDRO
N#Cc1ccc(C[NH2+]Cc2cn(CC(F)(F)F)c(=O)[nH]c2=O)cc1F	ZINC000922494408	878332193	/nfs/dbraw/zinc/33/21/93/878332193.db2.gz	BVKQNCPXTXCWMM-UHFFFAOYSA-N	1	0	356.279	1.812	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3coc(=O)c4ccccc34)[C@H]2C1	ZINC001083160810	912340322	/nfs/dbraw/zinc/34/03/22/912340322.db2.gz	VDQBFCIAEHOGLR-ZWKOTPCHSA-N	1	0	352.390	1.342	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2OC)CC1	ZINC000946587396	878795597	/nfs/dbraw/zinc/79/55/97/878795597.db2.gz	JAUMYXFPJNINSR-IAGOWNOFSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2)C1	ZINC001033094125	878898791	/nfs/dbraw/zinc/89/87/91/878898791.db2.gz	XTDRTFAVAXDXOJ-QRVBRYPASA-N	1	0	371.481	1.799	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3scnc3c2)C[C@H]1C	ZINC001106827031	878901636	/nfs/dbraw/zinc/90/16/36/878901636.db2.gz	BLEXADBSEIPTMI-UKRRQHHQSA-N	1	0	370.478	1.343	20	30		FDEDRO
C#Cc1ccc(CNC(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1	ZINC000922665732	878955293	/nfs/dbraw/zinc/95/52/93/878955293.db2.gz	LPLGNEISAPOBEY-WERVVEIQSA-N	1	0	355.482	1.947	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)c3ccncc3)[C@H](C)C2)CC1	ZINC000993686514	879225787	/nfs/dbraw/zinc/22/57/87/879225787.db2.gz	QBYMHITZPYPARS-VQIMIIECSA-N	1	0	368.481	1.251	20	30		FDEDRO
Cc1onc(CC(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1C#N	ZINC000428979278	879235825	/nfs/dbraw/zinc/23/58/25/879235825.db2.gz	QRKMZXCQLJVFGV-HXUWFJFHSA-N	1	0	368.437	1.493	20	30		FDEDRO
CN1CCN(C(=[NH2+])Nc2cccc([C@@H](C#N)C(=O)OC(C)(C)C)n2)CC1	ZINC001168735495	879455754	/nfs/dbraw/zinc/45/57/54/879455754.db2.gz	RKTIMUDEFVJVQE-CYBMUJFWSA-N	1	0	358.446	1.625	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)c2ccccc2C[NH+](C)C)C1	ZINC001004534385	879807884	/nfs/dbraw/zinc/80/78/84/879807884.db2.gz	SPDSUTHONJCQOW-MOPGFXCFSA-N	1	0	371.481	1.528	20	30		FDEDRO
CC(C)c1cccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)c1	ZINC001106834664	879924314	/nfs/dbraw/zinc/92/43/14/879924314.db2.gz	KDOLDJPIPJLBDP-CRAIPNDOSA-N	1	0	356.470	1.747	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC000993873411	879929950	/nfs/dbraw/zinc/92/99/50/879929950.db2.gz	RVFOYQDJYPBAEX-KBRIMQKVSA-N	1	0	369.469	1.052	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4cnn(C)c4C3)[C@H]2C1	ZINC001083175635	912518504	/nfs/dbraw/zinc/51/85/04/912518504.db2.gz	FVJFSTUZCYCGTC-ZYSHUDEJSA-N	1	0	358.486	1.403	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC000993913278	880128334	/nfs/dbraw/zinc/12/83/34/880128334.db2.gz	HZTCMAMMALADPB-KYJSFNMBSA-N	1	0	371.485	1.585	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)[C@H](C)C1)[NH+](C)C	ZINC000993913713	880129823	/nfs/dbraw/zinc/12/98/23/880129823.db2.gz	KJSWUTBPUQFHTM-UNEWFSDZSA-N	1	0	359.474	1.297	20	30		FDEDRO
COC(=O)c1ccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[nH]1	ZINC000272708477	880264511	/nfs/dbraw/zinc/26/45/11/880264511.db2.gz	AHRBQPNKAHHIDY-INIZCTEOSA-N	1	0	352.394	1.958	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC000994006080	880383918	/nfs/dbraw/zinc/38/39/18/880383918.db2.gz	ZBBKZKFODFOQGI-KYJSFNMBSA-N	1	0	371.485	1.583	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3cnccc3c2)C[C@H]1C	ZINC001106839437	880432349	/nfs/dbraw/zinc/43/23/49/880432349.db2.gz	IHHYZNDEBUFPLJ-DNVCBOLYSA-N	1	0	366.465	1.835	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)[C@]34C[C@H]3CCC4)C[C@H]2C)CC1	ZINC000994140691	880911368	/nfs/dbraw/zinc/91/13/68/880911368.db2.gz	PSKTVPMIOSFJCH-WGQQHEPDSA-N	1	0	371.525	1.733	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2coc3c2C(=O)NCCC3)C[C@H]1C(F)(F)F	ZINC001099283906	881067492	/nfs/dbraw/zinc/06/74/92/881067492.db2.gz	OYABPOHYLUPXHB-VXGBXAGGSA-N	1	0	371.359	1.734	20	30		FDEDRO
C[N@H+]1CC=C(CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000272726566	881123885	/nfs/dbraw/zinc/12/38/85/881123885.db2.gz	GGDGFLWVDABBAP-SFHVURJKSA-N	1	0	367.453	1.615	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C	ZINC000994239352	881232514	/nfs/dbraw/zinc/23/25/14/881232514.db2.gz	JWVIXIXAJRUQSU-FRFSOERESA-N	1	0	357.458	1.195	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2cc(C)n[nH]2)[C@@H](n2ccnn2)C1	ZINC001128747093	883123852	/nfs/dbraw/zinc/12/38/52/883123852.db2.gz	VDRAZNNABISVPW-SJORKVTESA-N	1	0	359.478	1.935	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc3ccccc3n2)C[C@H]1C	ZINC001106888488	883375634	/nfs/dbraw/zinc/37/56/34/883375634.db2.gz	ORGXXJPZAGFRQC-SJLPKXTDSA-N	1	0	356.470	1.923	20	30		FDEDRO
CO[C@@H]1CN([C@@H](C)C(=O)NCc2ccccc2)C[C@H]1NC(=O)C#CC(C)C	ZINC001212228609	883539721	/nfs/dbraw/zinc/53/97/21/883539721.db2.gz	QUKOKDYHBNOWGH-QXAKKESOSA-N	1	0	371.481	1.166	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC000999407938	912720850	/nfs/dbraw/zinc/72/08/50/912720850.db2.gz	QVZBGZPXMRWOJU-XCRHUMRWSA-N	1	0	361.417	1.582	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](CCCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001128833768	883784085	/nfs/dbraw/zinc/78/40/85/883784085.db2.gz	BBDQPOKEEIDMNH-JQHSSLGASA-N	1	0	352.442	1.412	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2n[nH]c(C)c2C)[C@@H](n2ccnn2)C1	ZINC001128838439	883811995	/nfs/dbraw/zinc/81/19/95/883811995.db2.gz	CUFGPYGHYUSHBR-WQVCFCJDSA-N	1	0	357.462	1.628	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCc2cnn(C)c2)C1	ZINC001034213275	883939724	/nfs/dbraw/zinc/93/97/24/883939724.db2.gz	SENTXQLJHCCIPR-QRVBRYPASA-N	1	0	360.502	1.915	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2coc(CC)n2)[C@@H](n2ccnn2)C1	ZINC001128903865	884024667	/nfs/dbraw/zinc/02/46/67/884024667.db2.gz	XQINPVWCOYTVIO-LZWOXQAQSA-N	1	0	358.446	1.839	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1C[C@@H](NC(=O)C(C)=C2CCC2)[C@H](OC)C1	ZINC001212231280	884056163	/nfs/dbraw/zinc/05/61/63/884056163.db2.gz	SZBIKCDCUSJVCW-QZTJIDSGSA-N	1	0	363.502	1.727	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1n1ccnn1	ZINC001128939433	884183049	/nfs/dbraw/zinc/18/30/49/884183049.db2.gz	QSKSIDYUSRUCEW-CVEARBPZSA-N	1	0	358.471	1.122	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)CC(C)(C)O)[C@@H](n2ccnn2)C1	ZINC001128948730	884351582	/nfs/dbraw/zinc/35/15/82/884351582.db2.gz	AVAIMFIDFDWMSG-CVEARBPZSA-N	1	0	351.495	1.751	20	30		FDEDRO
C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001034435530	884365813	/nfs/dbraw/zinc/36/58/13/884365813.db2.gz	IUKAMCAITLIWCX-WSTZPKSXSA-N	1	0	368.481	1.595	20	30		FDEDRO
C[N@H+]1C[C@]2(C)CN(S(=O)(=O)c3c(F)cc(C#N)cc3F)C[C@]2(C)C1	ZINC000918359954	884368286	/nfs/dbraw/zinc/36/82/86/884368286.db2.gz	NYFMMAHFUIFPEQ-IYBDPMFKSA-N	1	0	355.410	1.799	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(c3nc(C)ccc3C#N)C2)CC[N@@H+]1C	ZINC001061756767	884447194	/nfs/dbraw/zinc/44/71/94/884447194.db2.gz	AXLSNBHGUGBZKA-RYQLBKOJSA-N	1	0	355.486	1.935	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(c3cc(C)ncc3C#N)C2)CC[N@@H+]1C	ZINC001061757564	884472656	/nfs/dbraw/zinc/47/26/56/884472656.db2.gz	LMVXFHZVESYZIP-BPQIPLTHSA-N	1	0	355.486	1.935	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(CC[NH2+][C@@H]2CCN(C)C2=O)CC1	ZINC001034573476	884525531	/nfs/dbraw/zinc/52/55/31/884525531.db2.gz	MEEDPZYRBCSSML-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2nncn2C)CC1	ZINC001034648284	884614685	/nfs/dbraw/zinc/61/46/85/884614685.db2.gz	CGBINZHOYMOSSQ-VIQHNZTISA-N	1	0	361.490	1.874	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1	ZINC000658260607	884679234	/nfs/dbraw/zinc/67/92/34/884679234.db2.gz	AYRKEVJWHSLFDS-MRXNPFEDSA-N	1	0	372.469	1.530	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnnn2CC)C1	ZINC000999524496	912851518	/nfs/dbraw/zinc/85/15/18/912851518.db2.gz	VLBQIEATBAXYML-RLNQZENFSA-N	1	0	361.490	1.748	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CCO[C@H](C)CC(C)C)[C@@H](n2ccnn2)C1	ZINC001128984929	884695293	/nfs/dbraw/zinc/69/52/93/884695293.db2.gz	CTLQXNBDMSRICB-KURKYZTESA-N	1	0	361.490	1.484	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN([C@H](C)C(=O)Nc3cccc(C#N)c3)C2)CC1	ZINC000246104553	884808447	/nfs/dbraw/zinc/80/84/47/884808447.db2.gz	CSCOUWPOJVKXMO-APWZRJJASA-N	1	0	355.486	1.597	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCO[C@H]3CC)CC2)C1=O	ZINC001034696306	884810923	/nfs/dbraw/zinc/81/09/23/884810923.db2.gz	PCCWZIYDFDKTMR-ZKXLYKBJSA-N	1	0	363.502	1.605	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1CN(CCOc2ccccc2)C[C@@H]1n1ccnn1	ZINC001128988794	884824509	/nfs/dbraw/zinc/82/45/09/884824509.db2.gz	DBKFJYPBSFGZCM-MOPGFXCFSA-N	1	0	365.437	1.112	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCCC)C[C@@H]1n1ccnn1	ZINC001128993510	884887188	/nfs/dbraw/zinc/88/71/88/884887188.db2.gz	BMUXQKLYCXXBAV-BDXSIMOUSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nnc(CC)n2C)CC1	ZINC001034737095	884943679	/nfs/dbraw/zinc/94/36/79/884943679.db2.gz	PKWGGZDPQWEAAU-FPCVCCKLSA-N	1	0	361.490	1.486	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(C)nnc2C)[C@@H](n2ccnn2)C1	ZINC001129014962	885133265	/nfs/dbraw/zinc/13/32/65/885133265.db2.gz	VFDGSLABLZDWIS-OLMNPRSZSA-N	1	0	369.473	1.695	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(C[NH2+][C@H]2CCNC2=O)cc1	ZINC001034826409	885230628	/nfs/dbraw/zinc/23/06/28/885230628.db2.gz	NSKYVLPCEHRSKF-BZSNNMDCSA-N	1	0	357.454	1.262	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCc1ccc(C[NH2+][C@H]2CCNC2=O)cc1	ZINC001034826690	885230920	/nfs/dbraw/zinc/23/09/20/885230920.db2.gz	UAPQEVRDMCWWSF-FHWLQOOXSA-N	1	0	371.481	1.652	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(C[NH2+]Cc2ccnn2C)cc1	ZINC001034829730	885239260	/nfs/dbraw/zinc/23/92/60/885239260.db2.gz	UHELQXNEIWKSHQ-MOPGFXCFSA-N	1	0	354.454	1.917	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)COCc2ccc(C)cc2)[C@@H](n2ccnn2)C1	ZINC001129037901	885441984	/nfs/dbraw/zinc/44/19/84/885441984.db2.gz	FGGGZPTUYGDYFQ-MOPGFXCFSA-N	1	0	369.469	1.721	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cn(C)nc2C)[C@@H](n2ccnn2)C1	ZINC001129048696	885533872	/nfs/dbraw/zinc/53/38/72/885533872.db2.gz	HFQKNRPHFKUXNS-OLMNPRSZSA-N	1	0	371.489	1.259	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)COCC2CCCC2)[C@@H](n2ccnn2)C1	ZINC001129052800	885580318	/nfs/dbraw/zinc/58/03/18/885580318.db2.gz	NBFIYFDTOYWJMK-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2c(C)ncn2C)[C@@H](n2ccnn2)C1	ZINC001129054328	885585359	/nfs/dbraw/zinc/58/53/59/885585359.db2.gz	CGXJLOTWPPKPMJ-IMJJTQAJSA-N	1	0	357.462	1.330	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc3[nH]ccc3n2)[C@@H](n2ccnn2)C1	ZINC001129098353	885730457	/nfs/dbraw/zinc/73/04/57/885730457.db2.gz	JIVHRMQCRKWCGU-MSOLQXFVSA-N	1	0	365.441	1.776	20	30		FDEDRO
C=CCNC(=O)NC(=O)COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000923845564	885741025	/nfs/dbraw/zinc/74/10/25/885741025.db2.gz	YOSXPYOVGSOOTK-ZBFHGGJFSA-N	1	0	359.426	1.310	20	30		FDEDRO
CO[C@@H]1C[N@H+](C[C@H](O)CCc2ccccc2)C[C@H]1NC(=O)C#CC(C)C	ZINC001212240965	885760201	/nfs/dbraw/zinc/76/02/01/885760201.db2.gz	GPYXZCOHTAMKPM-VAMGGRTRSA-N	1	0	358.482	1.455	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC[N@@H+](Cc3ccn(C)n3)C2)CC1	ZINC001035230607	885817944	/nfs/dbraw/zinc/81/79/44/885817944.db2.gz	OMZZRTPPZDTXRY-MSOLQXFVSA-N	1	0	358.486	1.826	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC[N@@H+]([C@H](C)C(=O)N(C)C)C2)CC1	ZINC001035230681	885820015	/nfs/dbraw/zinc/82/00/15/885820015.db2.gz	PQQSDAYYCUQXFS-ZACQAIPSSA-N	1	0	363.502	1.369	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC000999580207	912990605	/nfs/dbraw/zinc/99/06/05/912990605.db2.gz	OCPSIYMULLVTTD-JNFQDSBJSA-N	1	0	369.469	1.478	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)OCC(=O)NC1(C#N)CCC1	ZINC000923846215	885951110	/nfs/dbraw/zinc/95/11/10/885951110.db2.gz	HBZAYYCMALPWFV-RDJZCZTQSA-N	1	0	355.438	1.860	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1	ZINC000670606127	886039090	/nfs/dbraw/zinc/03/90/90/886039090.db2.gz	UQUNKDRWZMVUNF-QGZVFWFLSA-N	1	0	359.470	1.983	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1n1ccnn1	ZINC001129188991	886117768	/nfs/dbraw/zinc/11/77/68/886117768.db2.gz	GAIIIHGLJUHWFB-NXHRZFHOSA-N	1	0	361.490	1.649	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N[C@@H](C)CC)[C@H](C)C2)nc1	ZINC001106897336	886247613	/nfs/dbraw/zinc/24/76/13/886247613.db2.gz	ALSPAMQOEXZDNV-HLLBOEOZSA-N	1	0	356.470	1.275	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N(CC)CC)[C@H](C)C2)nc1	ZINC001106898085	886355817	/nfs/dbraw/zinc/35/58/17/886355817.db2.gz	RSLOBZDSMVHSRL-NVXWUHKLSA-N	1	0	356.470	1.229	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1	ZINC000919965588	886473207	/nfs/dbraw/zinc/47/32/07/886473207.db2.gz	MPSJQHULMZYNBD-FQEVSTJZSA-N	1	0	368.456	1.880	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC2=CCOCC2)[C@@H](n2ccnn2)C1	ZINC001129228579	886709683	/nfs/dbraw/zinc/70/96/83/886709683.db2.gz	YOHGXHOJCHBHLH-NXHRZFHOSA-N	1	0	359.474	1.711	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H](COC)OC)[C@@H](n2ccnn2)C1	ZINC001129243285	886808344	/nfs/dbraw/zinc/80/83/44/886808344.db2.gz	MLABNPJVFIXNME-IXDOHACOSA-N	1	0	365.478	1.027	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1	ZINC001129243289	886809242	/nfs/dbraw/zinc/80/92/42/886809242.db2.gz	MPTAHRQEZPHNHC-BBWFWOEESA-N	1	0	361.490	1.649	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CCCC(C)C)C[C@@H]2n2ccnn2)c1	ZINC001129243479	886810630	/nfs/dbraw/zinc/81/06/30/886810630.db2.gz	PXXBEFBYPPBINB-MOPGFXCFSA-N	1	0	366.469	1.746	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CC[N@@H+](C)[C@H]2CCCNC2=O)CC1	ZINC001036603214	886903808	/nfs/dbraw/zinc/90/38/08/886903808.db2.gz	DGZZSXHGVQLTSA-SQNIBIBYSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1	ZINC000920419555	886920567	/nfs/dbraw/zinc/92/05/67/886920567.db2.gz	ISDDCSVPNXBSMJ-KBPBESRZSA-N	1	0	368.478	1.623	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cccnc2C)[C@@H](n2ccnn2)C1	ZINC001129262533	886980268	/nfs/dbraw/zinc/98/02/68/886980268.db2.gz	SCEXQZUPPMOBQF-LZQZEXGQSA-N	1	0	368.485	1.920	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC(CN(C)c3ccc(C#N)nc3)CC2)CC[N@@H+]1C	ZINC001062234763	886992245	/nfs/dbraw/zinc/99/22/45/886992245.db2.gz	LVTFYLQYPXQTJJ-DNVCBOLYSA-N	1	0	355.486	1.968	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C	ZINC001062353940	887072175	/nfs/dbraw/zinc/07/21/75/887072175.db2.gz	IPZSDYHTECRHDU-NCOADZHNSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=C(CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)c1ccccc1	ZINC000377256289	887129606	/nfs/dbraw/zinc/12/96/06/887129606.db2.gz	RSNVGCWPZILMJV-UHFFFAOYSA-N	1	0	367.453	1.918	20	30		FDEDRO
C=CCCOCC(=O)OCC(=O)N1CCN(Cc2ccccc2C)CC1	ZINC000920730691	887212191	/nfs/dbraw/zinc/21/21/91/887212191.db2.gz	FWQSOQCVIIQZPW-UHFFFAOYSA-N	1	0	360.454	1.775	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ncccc2Cl)C[C@H]1C	ZINC001106899906	887512066	/nfs/dbraw/zinc/51/20/66/887512066.db2.gz	NAWFMEVTGXZQCI-CHWSQXEVSA-N	1	0	350.850	1.335	20	30		FDEDRO
C=C(Cl)C[C@@H]1NC(=O)N(C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1=O	ZINC000925345112	913170048	/nfs/dbraw/zinc/17/00/48/913170048.db2.gz	WJXPZZVSDSOZFM-SOUVJXGZSA-N	1	0	355.866	1.817	20	30		FDEDRO
N#Cc1ccc(NCC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)nc1	ZINC000501970002	887703508	/nfs/dbraw/zinc/70/35/08/887703508.db2.gz	CJFSKUZZJJVLHU-UHFFFAOYSA-N	1	0	371.485	1.764	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCOc2ccc(C(F)(F)F)cn2)CC1	ZINC000921460241	887956032	/nfs/dbraw/zinc/95/60/32/887956032.db2.gz	OMBJVGRDYDOJKY-UHFFFAOYSA-N	1	0	370.375	1.876	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](CCCc2ccccc2C)C[C@H]1OC	ZINC001212258112	888075447	/nfs/dbraw/zinc/07/54/47/888075447.db2.gz	NHAZDEWJROZDCK-WOJBJXKFSA-N	1	0	358.482	1.783	20	30		FDEDRO
Cc1cc(NC(=O)Nc2ccn(CC[NH+](C)C)n2)c(C#N)cc1N(C)C	ZINC000417139401	888446203	/nfs/dbraw/zinc/44/62/03/888446203.db2.gz	OQLDYLCGQXOWTQ-UHFFFAOYSA-N	1	0	355.446	2.335	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1OC	ZINC001212268056	888564886	/nfs/dbraw/zinc/56/48/86/888564886.db2.gz	OIMMTBHZTIHROK-RTBURBONSA-N	1	0	368.518	1.991	20	30		FDEDRO
CC[N@@H+]1CCc2c(cccc2NC(=O)C(=O)Nc2ccn(CCC#N)n2)C1	ZINC000377263219	888566352	/nfs/dbraw/zinc/56/63/52/888566352.db2.gz	WBDHOUXOIACUOK-UHFFFAOYSA-N	1	0	366.425	1.752	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(Cl)no2)C[C@H]1C	ZINC001106905628	888766289	/nfs/dbraw/zinc/76/62/89/888766289.db2.gz	ZPEJPZHHOXUQOL-GRYCIOLGSA-N	1	0	354.838	1.316	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2sccc2OC)C[C@H]1C	ZINC001106905996	888803935	/nfs/dbraw/zinc/80/39/35/888803935.db2.gz	QXWXQMVSYBWBKW-MGPQQGTHSA-N	1	0	363.483	1.192	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)CN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1	ZINC000923401459	889140857	/nfs/dbraw/zinc/14/08/57/889140857.db2.gz	NHYVOUPBGVTBIR-IIAWOOMASA-N	1	0	357.376	1.757	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@H]([NH2+]CCO)C1	ZINC000923404395	889150984	/nfs/dbraw/zinc/15/09/84/889150984.db2.gz	JKYVRMRYTHYJAT-HOTGVXAUSA-N	1	0	351.516	1.698	20	30		FDEDRO
CNC(=O)C1(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)cc3)[C@H](C)C2)CCC1	ZINC001106910244	889393334	/nfs/dbraw/zinc/39/33/34/889393334.db2.gz	TWWKMRFOKCNRSZ-CRAIPNDOSA-N	1	0	368.481	1.659	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O	ZINC000923487822	889414836	/nfs/dbraw/zinc/41/48/36/889414836.db2.gz	NYFARCBQUSXRKR-RXYDEIHYSA-N	1	0	351.491	1.194	20	30		FDEDRO
C[N@@H+]1C[C@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)[C@@H](c2ccccc2)C1	ZINC000938940969	889610139	/nfs/dbraw/zinc/61/01/39/889610139.db2.gz	DGPVTSOTBYVDKM-ZCNNSNEGSA-N	1	0	365.477	1.462	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)COCc1ccccc1	ZINC001127608554	889720541	/nfs/dbraw/zinc/72/05/41/889720541.db2.gz	AHCJUQGLMCXTLD-QRVBRYPASA-N	1	0	362.470	1.251	20	30		FDEDRO
COCC#CCN1C[C@@H](NC(=O)c2cc(C(F)F)ccc2F)[C@H](OC)C1	ZINC001212289214	889727044	/nfs/dbraw/zinc/72/70/44/889727044.db2.gz	AWJCASJUHWOONW-HZPDHXFCSA-N	1	0	370.371	1.842	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CCC(=O)N1CCOc2ccccc21	ZINC000517723237	889739889	/nfs/dbraw/zinc/73/98/89/889739889.db2.gz	ORCCAQPLQLXCDE-UHFFFAOYSA-N	1	0	368.441	1.544	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@@H]1O	ZINC001084091920	913381748	/nfs/dbraw/zinc/38/17/48/913381748.db2.gz	WNGIHXUZHCGDOC-ZACQAIPSSA-N	1	0	362.499	1.155	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)COCc1cccs1	ZINC001127613160	889940331	/nfs/dbraw/zinc/94/03/31/889940331.db2.gz	SIWDEVYMRIVNBP-UAGQMJEPSA-N	1	0	368.499	1.313	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3cocc3C)C2)CC1	ZINC000939076778	889956306	/nfs/dbraw/zinc/95/63/06/889956306.db2.gz	BADXWRBGJMIHHO-RDTXWAMCSA-N	1	0	357.454	1.510	20	30		FDEDRO
N#Cc1cccc(CNC(=O)CN2CCC[C@H](c3ccnc(N)n3)C2)c1	ZINC000367214838	889972116	/nfs/dbraw/zinc/97/21/16/889972116.db2.gz	WRPJYAIPXBSTTL-INIZCTEOSA-N	1	0	350.426	1.426	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)[C@H](OC)C1	ZINC001212303805	889991992	/nfs/dbraw/zinc/99/19/92/889991992.db2.gz	NARRHAGGSJRVEH-FGTMMUONSA-N	1	0	361.490	1.572	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1CN([C@@H](C)C(=O)NCCCC)C[C@H]1OC	ZINC001212321267	890116666	/nfs/dbraw/zinc/11/66/66/890116666.db2.gz	ZJTFKCGXUXCJNT-CGTJXYLNSA-N	1	0	365.518	1.875	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(NC(=O)C[N@@H+](C)C2CCC2)CCC1	ZINC001063207504	890300877	/nfs/dbraw/zinc/30/08/77/890300877.db2.gz	LPBVQMGSLWWHSX-WMZOPIPTSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1	ZINC001063222242	890327156	/nfs/dbraw/zinc/32/71/56/890327156.db2.gz	ZXWHJUGORZFIHL-OWCLPIDISA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(NC(=O)C[N@H+]2CC[C@@H](C)C2)CCC1	ZINC001063214477	890339165	/nfs/dbraw/zinc/33/91/65/890339165.db2.gz	JJEDPSSIVIVVCQ-ZACQAIPSSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1	ZINC000939886873	891444768	/nfs/dbraw/zinc/44/47/68/891444768.db2.gz	DTHVVLHYMFYAGW-DDBAPUKQSA-N	1	0	363.502	1.273	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](C[C@H]2CCc3ncnn32)CC1	ZINC001001852898	891458089	/nfs/dbraw/zinc/45/80/89/891458089.db2.gz	XZRHDKMOAYHKIU-ZACQAIPSSA-N	1	0	359.474	1.185	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](CCCN2CCCC2=O)CC1	ZINC001001856190	891492434	/nfs/dbraw/zinc/49/24/34/891492434.db2.gz	ORDJAIOEBLQQHY-MSOLQXFVSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1	ZINC001001869105	891529623	/nfs/dbraw/zinc/52/96/23/891529623.db2.gz	ARQSIRZTEYALPB-SQNIBIBYSA-N	1	0	363.502	1.415	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@]34C[C@H]3CCCC4)C2)CC1	ZINC000939990865	891586972	/nfs/dbraw/zinc/58/69/72/891586972.db2.gz	IQTVMEYAIJLSRB-WGQQHEPDSA-N	1	0	371.525	1.875	20	30		FDEDRO
CC1CC[NH+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(C#N)[nH]2)C3)CC1	ZINC001002085957	891907947	/nfs/dbraw/zinc/90/79/47/891907947.db2.gz	NMGCYWSKEXUWHT-NXHRZFHOSA-N	1	0	369.469	1.480	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C#N)[nH]1)C2	ZINC001002090450	891913373	/nfs/dbraw/zinc/91/33/73/891913373.db2.gz	MSBXHLZBODASED-BGTYHANMSA-N	1	0	369.469	1.622	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c[nH]c(C#N)c2)C3)CC1	ZINC001002143803	891984956	/nfs/dbraw/zinc/98/49/56/891984956.db2.gz	XXFAUTRBCNGULD-KURKYZTESA-N	1	0	369.469	1.480	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)c1	ZINC000940310746	892255721	/nfs/dbraw/zinc/25/57/21/892255721.db2.gz	HGYFQHKPQAUDSE-CRAIPNDOSA-N	1	0	368.481	1.372	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(N(C)C)c2)C[C@H]1C	ZINC001106918026	892354574	/nfs/dbraw/zinc/35/45/74/892354574.db2.gz	AJDCSJUEGHXTCC-NVXWUHKLSA-N	1	0	358.486	1.353	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CC(C)(C)CO2)C[C@H]1C	ZINC001106919961	892504949	/nfs/dbraw/zinc/50/49/49/892504949.db2.gz	GFXJCXRNWCCVCB-ZACQAIPSSA-N	1	0	365.518	1.568	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC=C)[C@H](C)C1	ZINC001106920898	892574699	/nfs/dbraw/zinc/57/46/99/892574699.db2.gz	NHZINPFSJMOJOE-VQIMIIECSA-N	1	0	353.466	1.197	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)N(C)C)[C@H](C)C1	ZINC001106922798	892597072	/nfs/dbraw/zinc/59/70/72/892597072.db2.gz	MWNUQNBCXNPFQV-GPMSIDNRSA-N	1	0	355.482	1.371	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NCCC)[C@H](C)C1	ZINC001106922805	892597339	/nfs/dbraw/zinc/59/73/39/892597339.db2.gz	NDPJZEIBOKTBLZ-FUHIMQAGSA-N	1	0	369.509	1.809	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ncccc2OC)C[C@H]1C	ZINC001106923381	892609010	/nfs/dbraw/zinc/60/90/10/892609010.db2.gz	RFYGQBFVNXJQRX-QLFBSQMISA-N	1	0	360.458	1.079	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1	ZINC001002462676	892962439	/nfs/dbraw/zinc/96/24/39/892962439.db2.gz	WZRRZSGHMVDXRP-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCc3ccccc3C2)CC1	ZINC000672354680	893218464	/nfs/dbraw/zinc/21/84/64/893218464.db2.gz	IJBFYEVRYGJNTG-INIZCTEOSA-N	1	0	355.482	1.674	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(C#N)c1	ZINC001002634037	893422382	/nfs/dbraw/zinc/42/23/82/893422382.db2.gz	MAQHTHBMGMHMBV-BDXSIMOUSA-N	1	0	369.469	1.621	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(Cc3cc(F)ccc3C#N)C[C@H]21	ZINC001084231468	913776699	/nfs/dbraw/zinc/77/66/99/913776699.db2.gz	BENRXTCXFGZCMG-ATZDWAIDSA-N	1	0	356.445	1.824	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc3c(c2)nnn3C)[C@H](OC)C1	ZINC001212463159	893948681	/nfs/dbraw/zinc/94/86/81/893948681.db2.gz	UKUQRGWGRFZZDS-MZMPZRCHSA-N	1	0	357.458	1.752	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2sccc2C2CC2)C[C@H]1C	ZINC001106952657	894327689	/nfs/dbraw/zinc/32/76/89/894327689.db2.gz	SXOZVDOQJFNJOL-UKRRQHHQSA-N	1	0	359.495	1.673	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1	ZINC000941226586	894406436	/nfs/dbraw/zinc/40/64/36/894406436.db2.gz	XQUICJOLGNBGHK-MLHJIOFPSA-N	1	0	363.502	1.369	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1OC	ZINC000922023514	894427050	/nfs/dbraw/zinc/42/70/50/894427050.db2.gz	VEWCFIVWFYCXRC-UHFFFAOYSA-N	1	0	367.427	1.322	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1cccc(C(=O)OC)c1	ZINC000922023644	894430177	/nfs/dbraw/zinc/43/01/77/894430177.db2.gz	KIIFVSKCGAWACF-UHFFFAOYSA-N	1	0	364.467	1.332	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(F)c1C(=O)OC	ZINC000922025383	894535347	/nfs/dbraw/zinc/53/53/47/894535347.db2.gz	ZKWISKPIFMYOKJ-UHFFFAOYSA-N	1	0	368.430	1.330	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(C2C[NH+](CC3CCCC3)C2)CC1	ZINC000941413476	894939422	/nfs/dbraw/zinc/93/94/22/894939422.db2.gz	ZOWLYAPETKKUTH-UXHICEINSA-N	1	0	361.530	1.986	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C2C[NH+](CC[C@H](C)F)C2)CC1	ZINC000941602854	895361254	/nfs/dbraw/zinc/36/12/54/895361254.db2.gz	BEZVHNKQZOCMLJ-SZMVWBNQSA-N	1	0	353.482	1.544	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3nccnc3c2)C[C@H]1C	ZINC001106960571	895571885	/nfs/dbraw/zinc/57/18/85/895571885.db2.gz	TURIRUYMSJFFDG-NVXWUHKLSA-N	1	0	352.438	1.577	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@H](OC)C1	ZINC000941779902	895721359	/nfs/dbraw/zinc/72/13/59/895721359.db2.gz	LVIIWJSDEPQMNP-IXDOHACOSA-N	1	0	365.518	1.804	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCS(=O)(=O)C1)C2	ZINC001112452372	896092723	/nfs/dbraw/zinc/09/27/23/896092723.db2.gz	OQZLERWTQADKMH-YCPHGPKFSA-N	1	0	360.907	1.392	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2CCN(C(N)=O)CC2)C[C@H]1C	ZINC001106966285	896397757	/nfs/dbraw/zinc/39/77/57/896397757.db2.gz	KWAUTEVZCXOLEX-HLLBOEOZSA-N	1	0	350.507	1.816	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3OCC[C@H]3C(C)C)nn2)C1	ZINC000999986981	896518784	/nfs/dbraw/zinc/51/87/84/896518784.db2.gz	LYCQYCSESFVUDW-SQNIBIBYSA-N	1	0	361.490	1.778	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3OCC[C@H]3CC)nn2)C1	ZINC000999992829	896533194	/nfs/dbraw/zinc/53/31/94/896533194.db2.gz	QXIOKVZCEIYNPQ-NXHRZFHOSA-N	1	0	361.490	1.922	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)nn2)C1	ZINC000999993385	896534726	/nfs/dbraw/zinc/53/47/26/896534726.db2.gz	SFTRCXJUULYSEP-KCITZHQASA-N	1	0	353.470	1.767	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2c2ncccn2)[C@H](OC)C1	ZINC001212425900	896703934	/nfs/dbraw/zinc/70/39/34/896703934.db2.gz	JKKSBQRZEHJVJS-IXDOHACOSA-N	1	0	359.474	1.227	20	30		FDEDRO
CC#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)CC2(CCOCC2)C1	ZINC001089947324	896806674	/nfs/dbraw/zinc/80/66/74/896806674.db2.gz	CFWWRXDLFCGHHL-KZNAEPCWSA-N	1	0	370.497	1.534	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1	ZINC000942447495	897016894	/nfs/dbraw/zinc/01/68/94/897016894.db2.gz	JFYIECQJGAGKSG-CPUCHLNUSA-N	1	0	358.442	1.069	20	30		FDEDRO
COc1ccc(N2CC[NH+](CCCNc3ccc(C#N)nn3)CC2)cc1	ZINC000301819869	897026217	/nfs/dbraw/zinc/02/62/17/897026217.db2.gz	AQRPDDNWUNYLQY-UHFFFAOYSA-N	1	0	352.442	1.981	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2-n2cnnn2)C[C@H]1C	ZINC001106970669	897192943	/nfs/dbraw/zinc/19/29/43/897192943.db2.gz	OIUYUERYEJBVTQ-HZPDHXFCSA-N	1	0	354.458	1.926	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)nnn3CC)C[C@H]1C	ZINC001106970945	897213361	/nfs/dbraw/zinc/21/33/61/897213361.db2.gz	BUMMLQXJNWISGT-NVXWUHKLSA-N	1	0	371.485	1.952	20	30		FDEDRO
C#CC[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)CC2(CCOCC2)C1	ZINC001089959449	897340055	/nfs/dbraw/zinc/34/00/55/897340055.db2.gz	KJVUMRXDLJEBEB-BRWVUGGUSA-N	1	0	356.470	1.144	20	30		FDEDRO
CCc1cnc(CNC(NCC(=O)N2CCc3ccccc3C2)=[NH+]C)s1	ZINC000081220493	897457858	/nfs/dbraw/zinc/45/78/58/897457858.db2.gz	WUYOMKXJHXBDKW-UHFFFAOYSA-N	1	0	371.510	1.955	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1N(C(=O)c1c[nH]c(C#N)c1)CC2	ZINC000995259790	897551305	/nfs/dbraw/zinc/55/13/05/897551305.db2.gz	HAGUMQHMOVYKKM-SQGPQFPESA-N	1	0	369.469	1.482	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(Cc4ccc(C#N)s4)C[C@H]32)CC[N@@H+]1C	ZINC001084355745	914172494	/nfs/dbraw/zinc/17/24/94/914172494.db2.gz	FLLDMQAGEKPBIV-DTTOXWODSA-N	1	0	358.511	1.993	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2scnc2Cl)C[C@H]1C	ZINC001106988789	897721637	/nfs/dbraw/zinc/72/16/37/897721637.db2.gz	QZXHNQQIPKCCRY-IJLUTSLNSA-N	1	0	368.890	1.232	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[N@@H+](CC#CC)CC2(CCOCC2)C1	ZINC001089965448	897904630	/nfs/dbraw/zinc/90/46/30/897904630.db2.gz	PTWIKBCKSUTPQA-QYZOEREBSA-N	1	0	360.498	1.978	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c3ncccc23)C[C@H]1C	ZINC001106994325	898254721	/nfs/dbraw/zinc/25/47/21/898254721.db2.gz	JFMJUZBCZZODAR-RBSFLKMASA-N	1	0	369.469	1.551	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC000943284724	898614737	/nfs/dbraw/zinc/61/47/37/898614737.db2.gz	FULCMPONGZWMFR-KBAYOESNSA-N	1	0	368.481	1.514	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2CCCCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000943285701	898622246	/nfs/dbraw/zinc/62/22/46/898622246.db2.gz	IBPPQCLBCFWYFL-FVQBIDKESA-N	1	0	357.458	1.337	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCCCN(C(=O)[C@@H]3C[C@H]3CC)C2)CC1	ZINC000943310210	898677054	/nfs/dbraw/zinc/67/70/54/898677054.db2.gz	JFRLGTXCNQSNOW-NZSAHSFTSA-N	1	0	359.514	1.875	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2nccs2)C[C@H]1C	ZINC001106999271	898786021	/nfs/dbraw/zinc/78/60/21/898786021.db2.gz	MUHXXZQBKWOYQT-ZIAGYGMSSA-N	1	0	350.488	1.062	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001078472213	898802186	/nfs/dbraw/zinc/80/21/86/898802186.db2.gz	QXGNZHSQOCKALJ-ZCNNSNEGSA-N	1	0	369.465	1.856	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(F)cn2)C1	ZINC001078472272	898802280	/nfs/dbraw/zinc/80/22/80/898802280.db2.gz	SKHROBIJRNGJMM-KSZLIROESA-N	1	0	363.433	1.519	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cnn(C)c2)C1	ZINC001078485977	898842841	/nfs/dbraw/zinc/84/28/41/898842841.db2.gz	LIIAKLPUPGREQZ-BZSNNMDCSA-N	1	0	362.474	1.108	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@H](OC)C2)C1	ZINC000943466147	898910008	/nfs/dbraw/zinc/91/00/08/898910008.db2.gz	RGZSGHARSDNSHX-HZPDHXFCSA-N	1	0	361.486	1.313	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CNC(=O)c2ccsc2)C[C@H]1C	ZINC001107000189	898947902	/nfs/dbraw/zinc/94/79/02/898947902.db2.gz	JSKWQTDRSKBREW-BXUZGUMPSA-N	1	0	355.891	1.915	20	30		FDEDRO
[NH2+]=C(NCCc1ccccc1)NCc1cnc(N2CCOCC2)c(F)c1	ZINC000184874117	899046413	/nfs/dbraw/zinc/04/64/13/899046413.db2.gz	QKMFVRLEGWJRNZ-UHFFFAOYSA-N	1	0	357.433	1.704	20	30		FDEDRO
C=CCC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1	ZINC001001669270	899130458	/nfs/dbraw/zinc/13/04/58/899130458.db2.gz	LSTISGMQURYQSV-MOPGFXCFSA-N	1	0	365.518	1.271	20	30		FDEDRO
C=CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1)c1ccccc1	ZINC001107012389	899538417	/nfs/dbraw/zinc/53/84/17/899538417.db2.gz	QDIYTYUXSAPGDN-NXHRZFHOSA-N	1	0	368.485	1.754	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C[NH2+]CCn1cncn1	ZINC001107016947	899552378	/nfs/dbraw/zinc/55/23/78/899552378.db2.gz	IUANHMQGBPFTKM-IEBWSBKVSA-N	1	0	351.454	1.404	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C[NH2+]CCNC(=O)C1CC1	ZINC001107017260	899554622	/nfs/dbraw/zinc/55/46/22/899554622.db2.gz	QQQWKGAOXRSIID-YLJYHZDGSA-N	1	0	367.493	1.639	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cncc3ccccc32)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001107028239	899634985	/nfs/dbraw/zinc/63/49/85/899634985.db2.gz	VNTBIFZPRVSRIC-GDBMZVCRSA-N	1	0	365.437	1.172	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2ccc(C)o2)C[C@H]1C	ZINC001107029629	899641652	/nfs/dbraw/zinc/64/16/52/899641652.db2.gz	XFTXIASZQHDGSP-HYVNUMGLSA-N	1	0	359.470	1.343	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCc3cnn(CC)c3)C[C@H]21	ZINC001084417695	914373157	/nfs/dbraw/zinc/37/31/57/914373157.db2.gz	ALLBISTXLDNALT-HSALFYBXSA-N	1	0	369.513	1.076	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(OC)c3)C[C@H]21	ZINC001084418068	914380075	/nfs/dbraw/zinc/38/00/75/914380075.db2.gz	SXBXDQJXLDSKGG-HLAWJBBLSA-N	1	0	367.493	1.826	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C	ZINC000944049754	899797081	/nfs/dbraw/zinc/79/70/81/899797081.db2.gz	LEGCEWXXGVGTIV-BDXSIMOUSA-N	1	0	363.502	1.559	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[C@@H]3N3CCCC3=O)[C@@H]2C1	ZINC001084419432	914392620	/nfs/dbraw/zinc/39/26/20/914392620.db2.gz	RFTGTVTXMRADOO-AKHDSKFASA-N	1	0	357.498	1.724	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3oc(C)nc32)C[C@H]1C	ZINC001107051442	900140161	/nfs/dbraw/zinc/14/01/61/900140161.db2.gz	AHRGKWPGHRVKNK-UKRRQHHQSA-N	1	0	368.437	1.183	20	30		FDEDRO
Cc1cccc2oc(C(=O)N3C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C3)cc21	ZINC001107052481	900194000	/nfs/dbraw/zinc/19/40/00/900194000.db2.gz	URVXHPICDRLPCH-HUUCEWRRSA-N	1	0	368.437	1.679	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+][C@H]3CCN(C)C3=O)[C@H](C)C2)CCCCC1	ZINC001107056902	900253526	/nfs/dbraw/zinc/25/35/26/900253526.db2.gz	BEPUBEFVWLXFCN-KURKYZTESA-N	1	0	359.514	1.875	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCCCC2)[C@H](C)C1	ZINC001107059135	900311424	/nfs/dbraw/zinc/31/14/24/900311424.db2.gz	UPAFIUOZAQQAML-IAGOWNOFSA-N	1	0	365.518	1.712	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cc(C)no2)[C@H](C)C1	ZINC001107062407	900369474	/nfs/dbraw/zinc/36/94/74/900369474.db2.gz	KHBCRHWMQCVITP-BPLDGKMQSA-N	1	0	364.446	1.197	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2ccco2)[C@H](C)C1	ZINC001107063178	900448209	/nfs/dbraw/zinc/44/82/09/900448209.db2.gz	FCTDHFGOKXXDAH-BZUAXINKSA-N	1	0	363.458	1.171	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(CCC)CCC)[C@H](C)C1	ZINC001107063166	900448253	/nfs/dbraw/zinc/44/82/53/900448253.db2.gz	DMAWCRIVGVJQOD-FGTMMUONSA-N	1	0	367.534	1.910	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]Cc2cc3n(n2)CCCC3)[C@H](C)C1	ZINC001107063184	900449590	/nfs/dbraw/zinc/44/95/90/900449590.db2.gz	FLWIJNJDWYHSSP-IAGOWNOFSA-N	1	0	360.502	1.996	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2CCCC)[C@H](C)C1	ZINC001107064885	900452208	/nfs/dbraw/zinc/45/22/08/900452208.db2.gz	BAYAMFVQGBQAGV-HZPDHXFCSA-N	1	0	364.494	1.250	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2c3ccccc3NC2=O)C[C@H]1C	ZINC001107072606	900507778	/nfs/dbraw/zinc/50/77/78/900507778.db2.gz	WDPOYTRXBBOLOP-NUJGCVRESA-N	1	0	371.481	1.999	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CCCOC(C)C)C[C@H]2C)C1=O	ZINC001107078022	900565106	/nfs/dbraw/zinc/56/51/06/900565106.db2.gz	YKRFPKNCTQMRDP-KURKYZTESA-N	1	0	365.518	1.663	20	30		FDEDRO
C#CC[C@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1)c1ccccc1	ZINC001107090798	900775632	/nfs/dbraw/zinc/77/56/32/900775632.db2.gz	UMBIABZHJGHTMI-MISYRCLQSA-N	1	0	369.509	1.956	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cncc(OC)n2)[C@@H](n2ccnn2)C1	ZINC001129307787	901072800	/nfs/dbraw/zinc/07/28/00/901072800.db2.gz	OOXIWNMYVSXIIK-IMJJTQAJSA-N	1	0	371.445	1.087	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)CCn2ccnc2C(C)C)[C@@H](n2ccnn2)C1	ZINC001129307992	901104009	/nfs/dbraw/zinc/10/40/09/901104009.db2.gz	WQUXWOIXDHRTFA-SJORKVTESA-N	1	0	371.489	1.606	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCC1	ZINC001063721373	901104743	/nfs/dbraw/zinc/10/47/43/901104743.db2.gz	LNWHZMDVHGXSFP-ZACQAIPSSA-N	1	0	363.502	1.465	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cnc(C(C)C)s2)C[C@H]1C	ZINC001107103573	901146574	/nfs/dbraw/zinc/14/65/74/901146574.db2.gz	MAZXKVJXJRCNGR-ZIAGYGMSSA-N	1	0	362.499	1.314	20	30		FDEDRO
Cc1c(CC(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)cnn1C	ZINC001084396350	914537559	/nfs/dbraw/zinc/53/75/59/914537559.db2.gz	AAQUNTCPNMVLNF-UYAOXDASSA-N	1	0	363.465	1.876	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@]3(CCN(c4ccc(C#N)nc4)C3)C2)CC[N@@H+]1C	ZINC001064649638	901517416	/nfs/dbraw/zinc/51/74/16/901517416.db2.gz	FVHCJWNAZWLVLU-ZTNFWEORSA-N	1	0	353.470	1.722	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CCN(c4ccncc4C#N)C3)C2)CC[N@@H+]1C	ZINC001064650297	901519825	/nfs/dbraw/zinc/51/98/25/901519825.db2.gz	TZSUGALNRFBUMW-WRWLIDTKSA-N	1	0	353.470	1.722	20	30		FDEDRO
C[N@H+](CC(=O)N1CC[C@H]2CN(c3ccncc3C#N)C[C@H]21)CC(C)(C)C	ZINC001090356517	901830462	/nfs/dbraw/zinc/83/04/62/901830462.db2.gz	ZIXAXYRGTIZRCF-MAUKXSAKSA-N	1	0	355.486	1.968	20	30		FDEDRO
Cn1cncc1[C@@H]1C[C@H]1C(=O)NC1(C)CCN(c2nccnc2C#N)CC1	ZINC001065108504	901866046	/nfs/dbraw/zinc/86/60/46/901866046.db2.gz	JHRTUUPPOSDHPB-ZIAGYGMSSA-N	1	0	365.441	1.361	20	30		FDEDRO
Cn1cncc1[C@@H]1C[C@H]1C(=O)NC1(C)CCN(c2ccnc(C#N)n2)CC1	ZINC001065108451	901866163	/nfs/dbraw/zinc/86/61/63/901866163.db2.gz	HEHVUROQPODYGZ-ZIAGYGMSSA-N	1	0	365.441	1.361	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2ccnc(C#N)n2)CC[N@@H+]1C	ZINC001065171509	901884025	/nfs/dbraw/zinc/88/40/25/901884025.db2.gz	WNNAEWJTHXIRCV-LVQVYYBASA-N	1	0	354.458	1.258	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnn(C)c2C)C1	ZINC001079127019	901927867	/nfs/dbraw/zinc/92/78/67/901927867.db2.gz	GYSVKBVMCAOSQR-WOJBJXKFSA-N	1	0	366.465	1.439	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCCOC2)C1	ZINC001079128494	901934215	/nfs/dbraw/zinc/93/42/15/901934215.db2.gz	ZQFDDQFQVORXSS-VAMGGRTRSA-N	1	0	356.466	1.510	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cncc(F)c2)C1	ZINC001079131546	901944155	/nfs/dbraw/zinc/94/41/55/901944155.db2.gz	ZIOUYLQYDWXMNY-WOJBJXKFSA-N	1	0	367.424	1.932	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C2=CCOCC2)C1	ZINC001079132478	901945544	/nfs/dbraw/zinc/94/55/44/901945544.db2.gz	OTUIDLOXQFHNRV-WOJBJXKFSA-N	1	0	356.466	1.983	20	30		FDEDRO
C=CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccnc(C)n2)C1	ZINC001079146777	901968904	/nfs/dbraw/zinc/96/89/04/901968904.db2.gz	GRXFQPNOTBIDPF-RTBURBONSA-N	1	0	352.438	1.659	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2coc(C)n2)C1	ZINC001079133590	901994312	/nfs/dbraw/zinc/99/43/12/901994312.db2.gz	PKEVJTMZBUMTFA-RTBURBONSA-N	1	0	353.422	1.694	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1CN(CC#N)C[C@H]1O	ZINC001079135817	902002856	/nfs/dbraw/zinc/00/28/56/902002856.db2.gz	ONNHUPXVRMIIHY-XUVXKRRUSA-N	1	0	370.497	1.458	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCCC(=O)N2)C1	ZINC001079136765	902005217	/nfs/dbraw/zinc/00/52/17/902005217.db2.gz	BCZLSWBMNZFAFT-GUDVDZBRSA-N	1	0	371.481	1.305	20	30		FDEDRO
CC[C@@H]1C[C@H]1C(=O)NCCCCC[NH+]1CCN(C(=O)C#CC2CC2)CC1	ZINC001079167231	902038931	/nfs/dbraw/zinc/03/89/31/902038931.db2.gz	SQUHEBZENMGZKR-RTBURBONSA-N	1	0	359.514	1.877	20	30		FDEDRO
C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1c1cccc(F)c1	ZINC001079177718	902062681	/nfs/dbraw/zinc/06/26/81/902062681.db2.gz	GPEWPFRTBZNXQD-ULFGMLNVSA-N	1	0	356.401	1.604	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)CC[C@H]1c1ccc(F)cc1	ZINC001079154494	902068649	/nfs/dbraw/zinc/06/86/49/902068649.db2.gz	GLSZKIATIOOZFZ-RCCFBDPRSA-N	1	0	359.445	1.955	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(OC)n(C)n2)CC[C@H]1c1ccc(F)cc1	ZINC001079154612	902069957	/nfs/dbraw/zinc/06/99/57/902069957.db2.gz	MLDNGCXYHWFCBV-FUHWJXTLSA-N	1	0	370.428	1.789	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)CC[C@H]1c1ccc(F)cc1	ZINC001079154568	902070147	/nfs/dbraw/zinc/07/01/47/902070147.db2.gz	KNWXVNQFQILRHV-RYQLBKOJSA-N	1	0	359.445	1.812	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)CC[C@H]1c1ccc(F)cc1	ZINC001079156877	902074491	/nfs/dbraw/zinc/07/44/91/902074491.db2.gz	MPHLHMHQEJQKKB-RCCFBDPRSA-N	1	0	357.429	1.354	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)CC[C@H]1c1ccc(F)cc1	ZINC001079158066	902077602	/nfs/dbraw/zinc/07/76/02/902077602.db2.gz	QHTSWYPZWSPYGX-DLBZAZTESA-N	1	0	359.445	1.941	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)CC[C@H]1c1ccc(F)cc1	ZINC001079162681	902089771	/nfs/dbraw/zinc/08/97/71/902089771.db2.gz	WHQVBDWCTKDZPM-FUHWJXTLSA-N	1	0	368.412	1.141	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)co2)C[C@H]1c1cccc(F)c1	ZINC001079198846	902099174	/nfs/dbraw/zinc/09/91/74/902099174.db2.gz	VDVFYANTZXPIDH-JKSUJKDBSA-N	1	0	357.385	1.901	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(CCC=C)nn2)C[C@H]1c1cccc(F)c1	ZINC001079201966	902102856	/nfs/dbraw/zinc/10/28/56/902102856.db2.gz	LVNJKKFVNFQIKS-ZWKOTPCHSA-N	1	0	367.428	1.824	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(CCC)nn2)C[C@H]1c1cccc(F)c1	ZINC001079205821	902109577	/nfs/dbraw/zinc/10/95/77/902109577.db2.gz	GVPUNJMOGLMRBJ-DLBZAZTESA-N	1	0	355.417	1.658	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C)cc2=O)C[C@H]1c1cccc(F)c1	ZINC001079206122	902111393	/nfs/dbraw/zinc/11/13/93/902111393.db2.gz	XOEKPVCSVHOJRD-ZWKOTPCHSA-N	1	0	353.397	1.653	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@H]1c1cccc(F)c1	ZINC001079210045	902119054	/nfs/dbraw/zinc/11/90/54/902119054.db2.gz	VDJQDBCJLHEKFB-JKSUJKDBSA-N	1	0	359.401	1.045	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2nnc(C)[nH]2)C[C@H]1c1cccc(F)c1	ZINC001079182331	902122242	/nfs/dbraw/zinc/12/22/42/902122242.db2.gz	DKFLNAFGRXWMCV-DLBZAZTESA-N	1	0	357.433	1.955	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3ccncc3F)[C@@H]3COC[C@@H]32)CC1	ZINC001079231519	902165054	/nfs/dbraw/zinc/16/50/54/902165054.db2.gz	OAIUNBMEWHKTPP-FUHWJXTLSA-N	1	0	357.429	1.797	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)C[C@@H]3COC(=O)C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079235556	902174660	/nfs/dbraw/zinc/17/46/60/902174660.db2.gz	FDXZBJZQYBSISB-YESZJQIVSA-N	1	0	362.470	1.455	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCOCC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079239079	902182248	/nfs/dbraw/zinc/18/22/48/902182248.db2.gz	AUDUUMWVSWBELO-CEXWTWQISA-N	1	0	360.498	1.766	20	30		FDEDRO
O=C(C#CC1CC1)N1CC2(CC[NH+](Cc3cccnc3)CC2)[C@H]2COC[C@H]21	ZINC001079241208	902191850	/nfs/dbraw/zinc/19/18/50/902191850.db2.gz	PLDTYYNGNRTQKJ-VQTJNVASSA-N	1	0	365.477	1.934	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3nn(C)cc3Cl)[C@@H]3COC[C@@H]32)CC1	ZINC001079241895	902195321	/nfs/dbraw/zinc/19/53/21/902195321.db2.gz	HVCOCWPLDOFTRR-DZGCQCFKSA-N	1	0	364.877	1.813	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cn(C)nc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079228203	902240907	/nfs/dbraw/zinc/24/09/07/902240907.db2.gz	BHAQJAVCSFRUNC-ZWKOTPCHSA-N	1	0	356.470	1.305	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)C[C@H]3CCC(=O)NC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079244991	902252517	/nfs/dbraw/zinc/25/25/17/902252517.db2.gz	QUNRZLPYKAWXLK-IXDOHACOSA-N	1	0	361.486	1.028	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cnc(C4CC4)o3)[C@@H]3COC[C@@H]32)CC1	ZINC001079245578	902254461	/nfs/dbraw/zinc/25/44/61/902254461.db2.gz	AOMQUIGEYSVHLH-JKSUJKDBSA-N	1	0	355.438	1.738	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCn4ccnc4C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079248069	902262548	/nfs/dbraw/zinc/26/25/48/902262548.db2.gz	GNCMMQJOJJDAOS-OKZBNKHCSA-N	1	0	370.497	1.571	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)Cc3ccc(F)cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079248188	902263103	/nfs/dbraw/zinc/26/31/03/902263103.db2.gz	LKNZITAVYDWLLF-RBUKOAKNSA-N	1	0	371.456	1.726	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCn4nccc43)[C@@H]3COC[C@@H]32)CC1	ZINC001079248272	902263736	/nfs/dbraw/zinc/26/37/36/902263736.db2.gz	PKWSELOEXQWVTB-ZIFCJYIRSA-N	1	0	370.497	1.886	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)C[C@H]3CCCOC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079273507	902265319	/nfs/dbraw/zinc/26/53/19/902265319.db2.gz	DCEGSGJPDCONLS-CEXWTWQISA-N	1	0	360.498	1.766	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)CCc3nccn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079254122	902278643	/nfs/dbraw/zinc/27/86/43/902278643.db2.gz	MSVHVQSRFGIPJT-DLBZAZTESA-N	1	0	358.486	1.478	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC3(CC[NH+](C[C@H](C)O)CC3)[C@H]3COC[C@H]32)cc1	ZINC001079254792	902282480	/nfs/dbraw/zinc/28/24/80/902282480.db2.gz	VXVRNSRWWUHFPG-FFZOFVMBSA-N	1	0	368.477	1.602	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC3(CC[NH+](CC#CC)CC3)[C@H]3COC[C@H]32)c1	ZINC001079259444	902294976	/nfs/dbraw/zinc/29/49/76/902294976.db2.gz	AOZSMIZPOZIGRI-VQTJNVASSA-N	1	0	363.461	1.639	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H](C)Oc3cccnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079260090	902297208	/nfs/dbraw/zinc/29/72/08/902297208.db2.gz	ZUVKGKSAMIVGSJ-NZSAHSFTSA-N	1	0	369.465	1.422	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ccc4cccnn43)[C@@H]3COC[C@@H]32)CC1	ZINC001079263882	902307305	/nfs/dbraw/zinc/30/73/05/902307305.db2.gz	POVRDZCPFJJTKT-PKOBYXMFSA-N	1	0	364.449	1.521	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CC3(CC[NH+](CC)CC3)[C@H]3COC[C@H]32)nn1	ZINC001079265679	902313760	/nfs/dbraw/zinc/31/37/60/902313760.db2.gz	WAUBDADLUSVHJO-DOTOQJQBSA-N	1	0	359.474	1.427	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)Cc3nonc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079268145	902320017	/nfs/dbraw/zinc/32/00/17/902320017.db2.gz	PQBGXYWEHSOQIS-DOTOQJQBSA-N	1	0	360.458	1.436	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1c1ccccc1F	ZINC001079303983	902341591	/nfs/dbraw/zinc/34/15/91/902341591.db2.gz	KJGPZROUJUTOLN-DOTOQJQBSA-N	1	0	370.428	1.693	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cncc3C2)C[C@H]1c1ccccc1F	ZINC001079299285	902341744	/nfs/dbraw/zinc/34/17/44/902341744.db2.gz	HWRASXQUGSBLDX-ZAAXVRCTSA-N	1	0	366.440	1.802	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cncc3nc[nH]c32)C[C@H]1c1ccccc1F	ZINC001079296576	902401900	/nfs/dbraw/zinc/40/19/00/902401900.db2.gz	IBWQAEJGGZONEM-MAUKXSAKSA-N	1	0	363.396	1.928	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3n[nH]nc3n2)C[C@H]1c1ccccc1F	ZINC001079297794	902404842	/nfs/dbraw/zinc/40/48/42/902404842.db2.gz	LCGDQSPWTVYCIH-SUMWQHHRSA-N	1	0	364.384	1.323	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1c1ccccc1F	ZINC001079298967	902407592	/nfs/dbraw/zinc/40/75/92/902407592.db2.gz	PMGWCXTYDZHTRI-XYJFISCASA-N	1	0	359.445	1.812	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cnn(CC)c2)C[C@H]1c1ccccc1F	ZINC001079317620	902415702	/nfs/dbraw/zinc/41/57/02/902415702.db2.gz	KTILJFOYEPFWNE-PKOBYXMFSA-N	1	0	354.429	1.802	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2conc2COC)C[C@H]1c1ccccc1F	ZINC001079318701	902419322	/nfs/dbraw/zinc/41/93/22/902419322.db2.gz	TXFUNHZGFHZKBS-WMLDXEAASA-N	1	0	357.385	1.791	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCN(C(C)=O)C2)C[C@H]1c1ccccc1F	ZINC001079319910	902422153	/nfs/dbraw/zinc/42/21/53/902422153.db2.gz	WIBXOCYIBXBQGY-HHXXYDBFSA-N	1	0	357.429	1.211	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nccn3ccnc23)C[C@H]1c1ccccc1F	ZINC001079311178	902447571	/nfs/dbraw/zinc/44/75/71/902447571.db2.gz	SEKSOWBBKQECLF-DOTOQJQBSA-N	1	0	363.396	1.699	20	30		FDEDRO
C[C@@H]1CN(CC(=O)NC2CCCCCC2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC001079539417	902729607	/nfs/dbraw/zinc/72/96/07/902729607.db2.gz	GRDYXYUZCVIZEI-RDTXWAMCSA-N	1	0	371.485	1.775	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)Cc3ccncc3C)C2)C1=O	ZINC001079702612	903102696	/nfs/dbraw/zinc/10/26/96/903102696.db2.gz	RGLMTZCPLGMORC-NXHRZFHOSA-N	1	0	356.470	1.156	20	30		FDEDRO
C=C(Br)CN1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)[C@@H]2C1	ZINC001084455597	914707384	/nfs/dbraw/zinc/70/73/84/914707384.db2.gz	BKHZLCFICAGVNC-RBSFLKMASA-N	1	0	356.308	1.912	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(N(CC)C(=O)C[NH+](CC)CC)C1	ZINC001079817894	903337047	/nfs/dbraw/zinc/33/70/47/903337047.db2.gz	SELYDGCBZZOUHW-HKUYNNGSSA-N	1	0	365.518	1.759	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1CN(C(=O)CCCC[NH+](C)C)C1	ZINC001079857282	903530972	/nfs/dbraw/zinc/53/09/72/903530972.db2.gz	KVWKBKYFKZDNCO-MSOLQXFVSA-N	1	0	365.518	1.759	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)C(C)(C)C1	ZINC000996328073	903705149	/nfs/dbraw/zinc/70/51/49/903705149.db2.gz	AIBVHWCUCMVRTQ-FGTMMUONSA-N	1	0	371.481	1.703	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC001079950282	903745782	/nfs/dbraw/zinc/74/57/82/903745782.db2.gz	LABKCXARVXWKMC-OHDICMOHSA-N	1	0	356.470	1.214	20	30		FDEDRO
C=CCC[C@H](C)[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCO[C@H]3CC)nn2)C1	ZINC001107187869	903746118	/nfs/dbraw/zinc/74/61/18/903746118.db2.gz	LIYHKDHGNFWPFB-QGTPRVQTSA-N	1	0	361.490	1.921	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(CC)C(=O)[C@H](C(C)C)[NH+](C)C)C1	ZINC001079951722	903752368	/nfs/dbraw/zinc/75/23/68/903752368.db2.gz	DHMITMFISOBECU-BZSNNMDCSA-N	1	0	365.518	1.613	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(CC)C(=O)C(C)(C)[N@H+](C)CC)C1	ZINC001079997337	903841100	/nfs/dbraw/zinc/84/11/00/903841100.db2.gz	PTSBYTIUWNRINF-SJORKVTESA-N	1	0	365.518	1.757	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(C#N)c1	ZINC000996402898	903858643	/nfs/dbraw/zinc/85/86/43/903858643.db2.gz	MAQHTHBMGMHMBV-VSZNYVQBSA-N	1	0	369.469	1.621	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@H]2C)cc1	ZINC001079977806	903877920	/nfs/dbraw/zinc/87/79/20/903877920.db2.gz	KHWXCPXCINKNKC-LZQZEXGQSA-N	1	0	371.481	1.922	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CC(C)C)CCC[C@@H]12	ZINC001107263521	904205123	/nfs/dbraw/zinc/20/51/23/904205123.db2.gz	DJEYHIRTVGMFAN-DNVCBOLYSA-N	1	0	364.490	1.405	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)C1	ZINC000996592788	904273102	/nfs/dbraw/zinc/27/31/02/904273102.db2.gz	PJRNWWCVENJZEJ-RDTXWAMCSA-N	1	0	354.454	1.554	20	30		FDEDRO
Cc1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)c(C)o1	ZINC001107274607	904294016	/nfs/dbraw/zinc/29/40/16/904294016.db2.gz	YSYHTVLEBXEVPE-VQIMIIECSA-N	1	0	358.442	1.511	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCCOCC)CCC[C@@H]12	ZINC001107299232	904348444	/nfs/dbraw/zinc/34/84/44/904348444.db2.gz	NQROGDBCGQFUFB-VQIMIIECSA-N	1	0	351.491	1.466	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C)nn3C)CCC[C@@H]12	ZINC001107301638	904357943	/nfs/dbraw/zinc/35/79/43/904357943.db2.gz	HUEQEJTVFSXZBY-VQIMIIECSA-N	1	0	359.474	1.005	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCCO3)CCC[C@@H]12	ZINC001107292517	904372669	/nfs/dbraw/zinc/37/26/69/904372669.db2.gz	IPXFQJOOENNNIX-SQGPQFPESA-N	1	0	361.486	1.056	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cnc(C)s3)CCC[C@@H]12	ZINC001107310160	904410259	/nfs/dbraw/zinc/41/02/59/904410259.db2.gz	YGCUZKJBBWCNEF-CRAIPNDOSA-N	1	0	360.483	1.175	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccc3c(c1)nnn3C)CC2	ZINC001107330595	904461018	/nfs/dbraw/zinc/46/10/18/904461018.db2.gz	FGTXPVOMVIOIQJ-LXGCGDOSSA-N	1	0	366.469	1.989	20	30		FDEDRO
C=C(Br)CNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000764360976	904478817	/nfs/dbraw/zinc/47/88/17/904478817.db2.gz	IUMPPUKRPQJKAA-TZMCWYRMSA-N	1	0	359.312	1.562	20	30		FDEDRO
C=CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(=O)NCCC)CC2	ZINC001107327185	904483642	/nfs/dbraw/zinc/48/36/42/904483642.db2.gz	SFGZECHSAWXNDR-DNVCBOLYSA-N	1	0	364.490	1.549	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3c(C)ccn3C)CCC[C@@H]12	ZINC001107376652	904611436	/nfs/dbraw/zinc/61/14/36/904611436.db2.gz	NVWLNFQXNMYCQL-OXQOHEQNSA-N	1	0	358.486	1.610	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C)sn3)CCC[C@@H]12	ZINC001107381759	904651220	/nfs/dbraw/zinc/65/12/20/904651220.db2.gz	SNOBPCJKDNINPB-CRAIPNDOSA-N	1	0	360.483	1.175	20	30		FDEDRO
CN1CC[NH+](CC2CCN(C(=O)NCc3cc(C#N)ccc3F)CC2)CC1	ZINC000764444643	904680904	/nfs/dbraw/zinc/68/09/04/904680904.db2.gz	VCHMXULZAASREU-UHFFFAOYSA-N	1	0	373.476	1.866	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCCC(=O)N4)[C@@H]3C2)cc1	ZINC001084434529	914834838	/nfs/dbraw/zinc/83/48/38/914834838.db2.gz	MJPMOQKOPSDABL-KZNAEPCWSA-N	1	0	352.438	1.260	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC([NH2+]Cc2ccc(F)c(C#N)c2)CC1	ZINC000996680491	904706379	/nfs/dbraw/zinc/70/63/79/904706379.db2.gz	GOEJBJDSAMYLKO-UGSOOPFHSA-N	1	0	361.417	1.582	20	30		FDEDRO
Cc1cnccc1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107395968	904707371	/nfs/dbraw/zinc/70/73/71/904707371.db2.gz	WISBVYVDTXWCEM-VQIMIIECSA-N	1	0	355.442	1.004	20	30		FDEDRO
CC(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCCS(C)(=O)=O)CC2	ZINC001107396938	904712542	/nfs/dbraw/zinc/71/25/42/904712542.db2.gz	PLXHFWHRUUFQBE-SJLPKXTDSA-N	1	0	354.516	1.441	20	30		FDEDRO
C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnnn1CC)CC2	ZINC001107404758	904748696	/nfs/dbraw/zinc/74/86/96/904748696.db2.gz	MKHNBPILKUMSJA-IEBWSBKVSA-N	1	0	359.474	1.199	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCCN(C(=O)CCc2ccc(OC)cc2)CC1	ZINC000764473757	904761334	/nfs/dbraw/zinc/76/13/34/904761334.db2.gz	VOYQLNSHGMTQGT-UHFFFAOYSA-N	1	0	373.497	1.807	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccc(OC)n1)CC2	ZINC001107401476	904777932	/nfs/dbraw/zinc/77/79/32/904777932.db2.gz	PPSAAGZNGBYORR-YRISNDGFSA-N	1	0	371.481	1.989	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cc(OC)ccn1)CC2	ZINC001107401562	904779914	/nfs/dbraw/zinc/77/99/14/904779914.db2.gz	UJQJAWCTMOBLLY-LDQXTDLNSA-N	1	0	371.481	1.989	20	30		FDEDRO
C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCc1cnn(C)c1)CC2	ZINC001107401675	904782181	/nfs/dbraw/zinc/78/21/81/904782181.db2.gz	ZFEOFIJGMFTXAL-UYAOXDASSA-N	1	0	358.486	1.363	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)c3ccncc3)CCC[C@@H]12	ZINC001107414789	904825184	/nfs/dbraw/zinc/82/51/84/904825184.db2.gz	SNAVDZFVLPHPAN-YLJYHZDGSA-N	1	0	356.470	1.748	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3(C)CC3)CCC[C@@H]12	ZINC001107416233	904831153	/nfs/dbraw/zinc/83/11/53/904831153.db2.gz	GXPCSWIKTJIDFT-AUUYWEPGSA-N	1	0	362.474	1.159	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C(=O)COC)CCC[C@@H]12	ZINC001107426032	904844017	/nfs/dbraw/zinc/84/40/17/904844017.db2.gz	BYVQMCLNANGUBD-VQIMIIECSA-N	1	0	351.491	1.418	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc4n(n3)CCC4)CCC[C@@H]12	ZINC001107430099	904924938	/nfs/dbraw/zinc/92/49/38/904924938.db2.gz	XAVBVTUOVSVISW-UYAOXDASSA-N	1	0	356.470	1.454	20	30		FDEDRO
CC(C)(C(N)=O)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccc1C#N)CC2	ZINC001107444659	904947385	/nfs/dbraw/zinc/94/73/85/904947385.db2.gz	UEZSHZQZVVAAJN-DYESRHJHSA-N	1	0	368.481	1.931	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3cc(OCC)n[nH]3)CCC[C@@H]12	ZINC001107446668	904962890	/nfs/dbraw/zinc/96/28/90/904962890.db2.gz	SIKYWSAOKAJYPK-VQIMIIECSA-N	1	0	362.474	1.985	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)Cn3nnc(-c4ccco4)n3)CCC[C@@H]12	ZINC001107458739	904977881	/nfs/dbraw/zinc/97/78/81/904977881.db2.gz	JUGVFQGFJOGUHW-VQIMIIECSA-N	1	0	370.457	1.870	20	30		FDEDRO
CC(F)(F)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107453056	904993978	/nfs/dbraw/zinc/99/39/78/904993978.db2.gz	FMRUPUOFYNKTMS-CXAGYDPISA-N	1	0	356.417	1.422	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ncccc3CC)CCC[C@@H]12	ZINC001107457835	905027466	/nfs/dbraw/zinc/02/74/66/905027466.db2.gz	RNLYHNWHCJHRIP-DYESRHJHSA-N	1	0	368.481	1.368	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)CCCCNC(N)=O)CCC[C@@H]12	ZINC001107465171	905035064	/nfs/dbraw/zinc/03/50/64/905035064.db2.gz	OQEZFPPWUHMMAE-VQIMIIECSA-N	1	0	366.506	1.388	20	30		FDEDRO
Cc1cncc(C)c1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107469640	905084347	/nfs/dbraw/zinc/08/43/47/905084347.db2.gz	DAXHIQKHVLDYMF-OXQOHEQNSA-N	1	0	369.469	1.313	20	30		FDEDRO
C[C@]1(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)C[C@H]2C[C@H]2C1	ZINC001107481923	905181828	/nfs/dbraw/zinc/18/18/28/905181828.db2.gz	GIAUOCZJHFEYLY-VQEGESQYSA-N	1	0	358.486	1.423	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnn4cccnc34)CCC[C@@H]12	ZINC001107494339	905191557	/nfs/dbraw/zinc/19/15/57/905191557.db2.gz	AJSONWUXIOSHAQ-YLJYHZDGSA-N	1	0	367.453	1.354	20	30		FDEDRO
C=CC(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCN(C)S(C)(=O)=O)CC2	ZINC001107502443	905258450	/nfs/dbraw/zinc/25/84/50/905258450.db2.gz	IEUQRDPUWRDMNP-CRAIPNDOSA-N	1	0	371.547	1.451	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCCN2C(=O)CSCC#N)CC[N@@H+]1C	ZINC001081898562	905262244	/nfs/dbraw/zinc/26/22/44/905262244.db2.gz	BRZWJVZRWIWQQG-HRCADAONSA-N	1	0	366.531	1.471	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3c(C)nc[nH]c3=O)CCC[C@@H]12	ZINC001107513025	905277715	/nfs/dbraw/zinc/27/77/15/905277715.db2.gz	OTXRPCTXXZFAJH-DNVCBOLYSA-N	1	0	358.442	1.115	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@]1(C)CCC(=O)N1	ZINC001080392567	905311663	/nfs/dbraw/zinc/31/16/63/905311663.db2.gz	KYWDALVDNWKGNE-ZTQAJYAQSA-N	1	0	370.453	1.194	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1CCCCC(=O)N1	ZINC001080422289	905338191	/nfs/dbraw/zinc/33/81/91/905338191.db2.gz	IQNCGEBQBIEQDN-ZTFGCOKTSA-N	1	0	354.454	1.554	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)Cn3nnc4c3CCCC4)CCC[C@@H]12	ZINC001107551005	905508287	/nfs/dbraw/zinc/50/82/87/905508287.db2.gz	RPWMRKFAJODSPQ-UYAOXDASSA-N	1	0	355.486	1.541	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)COC[C@H]3CCOC3)CCC[C@@H]12	ZINC001107564406	905662524	/nfs/dbraw/zinc/66/25/24/905662524.db2.gz	UWRHESIWMYCUIR-NLWGTHIKSA-N	1	0	366.502	1.603	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3C)C[C@H]2C)nn1	ZINC001080579027	905734136	/nfs/dbraw/zinc/73/41/36/905734136.db2.gz	KSQOAGUNOMCZPE-IAGOWNOFSA-N	1	0	369.469	1.902	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1C	ZINC001080587353	905753920	/nfs/dbraw/zinc/75/39/20/905753920.db2.gz	JUJMJXAGKWXBSG-NTDBWNAOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CCCCN3CCOCC3)CCC[C@@H]12	ZINC001107579114	905783631	/nfs/dbraw/zinc/78/36/31/905783631.db2.gz	SQQFZEHKNKWNPK-TZIWHRDSSA-N	1	0	361.530	1.873	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)Cn3c(C)cc(C)nc3=O)CCC[C@@H]12	ZINC001107591099	905814518	/nfs/dbraw/zinc/81/45/18/905814518.db2.gz	SEEXIWQOFXACED-YLJYHZDGSA-N	1	0	358.486	1.797	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](C[C@H](OC)C3CCCC3)C[C@H]2OC)c1	ZINC001082118094	905832666	/nfs/dbraw/zinc/83/26/66/905832666.db2.gz	GSJRUNPNRARIGA-HSALFYBXSA-N	1	0	371.481	1.697	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCC(F)(F)C3)C[C@H]2OC)c1	ZINC001082118355	905835123	/nfs/dbraw/zinc/83/51/23/905835123.db2.gz	UKTIWLFRDQUFOP-DJIMGWMZSA-N	1	0	363.408	1.927	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CC(=O)NCC(F)(F)F)CCC[C@@H]12	ZINC001107592944	905870591	/nfs/dbraw/zinc/87/05/91/905870591.db2.gz	AJMGWEFMVZTULB-CZUORRHYSA-N	1	0	359.392	1.439	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CCn3cnccc3=O)CCC[C@@H]12	ZINC001107593798	905876555	/nfs/dbraw/zinc/87/65/55/905876555.db2.gz	WWYRBLQUMBRYSB-YLJYHZDGSA-N	1	0	358.486	1.960	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)CC[NH+](C)C	ZINC001082103332	905877781	/nfs/dbraw/zinc/87/77/81/905877781.db2.gz	GIVTZXATAQHOSB-BBWFWOEESA-N	1	0	351.491	1.417	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)Cc3ccccc3)C[C@H]2OC)C1	ZINC001082110750	905910347	/nfs/dbraw/zinc/91/03/47/905910347.db2.gz	GJDFVYKLCMLRNG-GUDVDZBRSA-N	1	0	358.482	1.762	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCOCCCOC)CCC[C@@H]12	ZINC001107603754	905941139	/nfs/dbraw/zinc/94/11/39/905941139.db2.gz	OINNCRSXYMPVNO-UYAOXDASSA-N	1	0	366.502	1.440	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)COc3ccccc3)CCC[C@@H]12	ZINC001107617725	906016911	/nfs/dbraw/zinc/01/69/11/906016911.db2.gz	QDQLKLDPHAKART-WIYYLYMNSA-N	1	0	369.465	1.176	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnn4cc[nH]c34)CCC[C@@H]12	ZINC001107617709	906017185	/nfs/dbraw/zinc/01/71/85/906017185.db2.gz	OZANGCOADCFHSO-VQIMIIECSA-N	1	0	355.442	1.287	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@@]3(C)CCS(=O)(=O)N3)CCC[C@@H]12	ZINC001107621333	906063091	/nfs/dbraw/zinc/06/30/91/906063091.db2.gz	NAHJKTRINVSHOX-KBAYOESNSA-N	1	0	369.531	1.395	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CO[C@@H](C)c3nccn3C)CCC[C@@H]12	ZINC001107621627	906065762	/nfs/dbraw/zinc/06/57/62/906065762.db2.gz	SNDAKOSENGHCGL-SQGPQFPESA-N	1	0	358.486	1.882	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccnc(C)n3)CCC[C@@H]12	ZINC001107632851	906150464	/nfs/dbraw/zinc/15/04/64/906150464.db2.gz	AOZNBNHLSVVDDL-VQIMIIECSA-N	1	0	357.458	1.062	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](C[C@@H](OC)C3CCCC3)C[C@H]2O)c1	ZINC001077649781	906221390	/nfs/dbraw/zinc/22/13/90/906221390.db2.gz	FELJHLXRARANOM-GUDVDZBRSA-N	1	0	357.454	1.043	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)CCNC(=O)[C@H]3CCCO3)CCC[C@@H]12	ZINC001107654776	906253644	/nfs/dbraw/zinc/25/36/44/906253644.db2.gz	IOCPJWBUVMZMCW-MBOZVWFJSA-N	1	0	363.502	1.609	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)c3ccccc3F)C[C@H]2C)cn1	ZINC001080801749	906274945	/nfs/dbraw/zinc/27/49/45/906274945.db2.gz	HRWIKIWUIJPJKF-XMCHAPAWSA-N	1	0	367.424	1.986	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H](CC)OC)C[C@H]2OC)cc1	ZINC001082211996	906293648	/nfs/dbraw/zinc/29/36/48/906293648.db2.gz	SAIVUCBRPMNNPD-QXAKKESOSA-N	1	0	360.454	1.553	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)Cc3csc(C)n3)C2)C1=O	ZINC001080904617	906626944	/nfs/dbraw/zinc/62/69/44/906626944.db2.gz	QPQXFXZZYXBYBO-DAXOMENPSA-N	1	0	362.499	1.217	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)NC1(CO)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001080956169	906867440	/nfs/dbraw/zinc/86/74/40/906867440.db2.gz	MPNOWIBAVVPXGY-BRWVUGGUSA-N	1	0	365.518	1.399	20	30		FDEDRO
CO[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001082326602	906906921	/nfs/dbraw/zinc/90/69/21/906906921.db2.gz	JWNOVPUKGDADTH-XUVXKRRUSA-N	1	0	355.482	1.195	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@H]1OC	ZINC001082345324	906935060	/nfs/dbraw/zinc/93/50/60/906935060.db2.gz	FBVFVPWPYTZEGW-PWRODBHTSA-N	1	0	370.493	1.985	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)C2)C1=O	ZINC001081023205	906976702	/nfs/dbraw/zinc/97/67/02/906976702.db2.gz	HFDRRRFIDNVZKX-JDXRWTKOSA-N	1	0	357.498	1.502	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cccc(C(N)=O)n1	ZINC001081016493	907028801	/nfs/dbraw/zinc/02/88/01/907028801.db2.gz	ORNVMEOKEZWDIK-FZKQIMNGSA-N	1	0	363.421	1.302	20	30		FDEDRO
C=CCN1c2ccccc2C(=NNC(=S)NCC(C)(C)C[NH+](C)C)C1=O	ZINC000727066743	907131559	/nfs/dbraw/zinc/13/15/59/907131559.db2.gz	UBFLZPPPKCRCPU-UHFFFAOYSA-N	1	0	373.526	1.975	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nnn(C(C)(C)C)n2)C[C@H]1c1ccccc1	ZINC001081119914	907176196	/nfs/dbraw/zinc/17/61/96/907176196.db2.gz	UXPZLTQJFRVVSI-JKSUJKDBSA-N	1	0	352.442	1.259	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cccn3nnnc23)C[C@H]1c1ccccc1	ZINC001081122429	907179960	/nfs/dbraw/zinc/17/99/60/907179960.db2.gz	TZMRHFOPHYVARD-ZWKOTPCHSA-N	1	0	362.437	1.898	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2nc3ncc(C)cn3n2)C[C@H]1c1ccccc1	ZINC001081132143	907231704	/nfs/dbraw/zinc/23/17/04/907231704.db2.gz	JUAJHGGLDKNHCJ-DLBZAZTESA-N	1	0	362.437	1.817	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1c1ccccc1	ZINC001081148299	907261088	/nfs/dbraw/zinc/26/10/88/907261088.db2.gz	AXHCQTSGJGLNJV-DLBZAZTESA-N	1	0	352.438	1.554	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3cnn(C)c3C2)C[C@H]1c1ccccc1	ZINC001081168186	907290276	/nfs/dbraw/zinc/29/02/76/907290276.db2.gz	KTOARGCGXGQDEH-YZGWKJHDSA-N	1	0	362.477	1.742	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3ncn(C)c3n2)C[C@H]1c1ccccc1	ZINC001081179966	907354436	/nfs/dbraw/zinc/35/44/36/907354436.db2.gz	UNSLVXMTRFNQJT-QFBILLFUSA-N	1	0	359.433	1.799	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN(C(=O)CCC)C2)[C@H](OC)C1	ZINC001082382946	907371032	/nfs/dbraw/zinc/37/10/32/907371032.db2.gz	BHULCASBCDRRNR-GVDBMIGSSA-N	1	0	351.491	1.417	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCCCN2C(C)=O)C[C@H]1c1ccccc1	ZINC001081193423	907372728	/nfs/dbraw/zinc/37/27/28/907372728.db2.gz	ZQEZHVBWPCNDFB-PCCBWWKXSA-N	1	0	367.493	1.995	20	30		FDEDRO
Cn1nc(Br)c2c1ncnc2N=NC1CC[N@@H+]2CCC[C@H]12	ZINC000765573231	907649217	/nfs/dbraw/zinc/64/92/17/907649217.db2.gz	ZLABTDPCCJRSGR-SECBINFHSA-N	1	0	350.224	1.762	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCNC(=O)C[C@@H]2C[C@H]2C2CC2)CC1	ZINC001077768914	907748731	/nfs/dbraw/zinc/74/87/31/907748731.db2.gz	KQYFOUHGSMSPBW-SNRMKQJTSA-N	1	0	359.514	1.779	20	30		FDEDRO
Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3F)C2)n(C)n1	ZINC001082440300	907776444	/nfs/dbraw/zinc/77/64/44/907776444.db2.gz	WAFTXWYOHBVYRB-SJKOYZFVSA-N	1	0	355.417	1.990	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCCOC3)C[C@H]2C)cc1C#N	ZINC001082443010	907786824	/nfs/dbraw/zinc/78/68/24/907786824.db2.gz	KADYUTQOZZPJBC-QGPMSJSTSA-N	1	0	357.454	1.930	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2nnn(C)c2C)C[C@H]1C	ZINC001082456734	907858522	/nfs/dbraw/zinc/85/85/22/907858522.db2.gz	CQIPWWXMFDSCGJ-MLGOLLRUSA-N	1	0	368.441	1.254	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2COC(=O)C2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082474454	907928944	/nfs/dbraw/zinc/92/89/44/907928944.db2.gz	NMARMWJVLJFLJK-IIYDPXPESA-N	1	0	359.401	1.587	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)C[C@H]2COC(=O)C2)C[C@H]1C	ZINC001082474576	907930410	/nfs/dbraw/zinc/93/04/10/907930410.db2.gz	VEKBZPCUBYTPPP-FRFSOERESA-N	1	0	371.437	1.457	20	30		FDEDRO
CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)C1	ZINC001082489894	907995251	/nfs/dbraw/zinc/99/52/51/907995251.db2.gz	POVMVLISBFSKRG-AUUYWEPGSA-N	1	0	370.453	1.004	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(=O)[nH]n2)c1	ZINC001085126308	921381525	/nfs/dbraw/zinc/38/15/25/921381525.db2.gz	ATLAHQDWIOYNDJ-HZPDHXFCSA-N	1	0	351.410	1.885	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccnn3C3CCC3)C[C@H]2C)C1=O	ZINC001082517089	908194397	/nfs/dbraw/zinc/19/43/97/908194397.db2.gz	TVJHFCYRJSLNTB-HYVNUMGLSA-N	1	0	371.485	1.445	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC(=O)N(C)C2CC2)CC1	ZINC000997308767	908227758	/nfs/dbraw/zinc/22/77/58/908227758.db2.gz	JGMUNRURNWCZQW-OLMNPRSZSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCN2CCCC2=O)CC1	ZINC000997308787	908228196	/nfs/dbraw/zinc/22/81/96/908228196.db2.gz	JODMYVZIJSKCBT-NXHRZFHOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](F)C(C)C)CC1	ZINC000997356880	908312873	/nfs/dbraw/zinc/31/28/73/908312873.db2.gz	GMTLKLUXHIZESZ-VSZNYVQBSA-N	1	0	363.477	1.574	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](OC)C2CC2)CC1	ZINC000997358346	908316407	/nfs/dbraw/zinc/31/64/07/908316407.db2.gz	ZDHRSLHGLGZWIJ-YDZRNGNQSA-N	1	0	373.497	1.005	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](C)SC)CC1	ZINC000997357869	908326652	/nfs/dbraw/zinc/32/66/52/908326652.db2.gz	RHRCYKGNFNPJTO-SIXLDLHFSA-N	1	0	363.527	1.331	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2ccnc3[nH]cnc32)C[C@H]1C	ZINC001082537221	908336329	/nfs/dbraw/zinc/33/63/29/908336329.db2.gz	PMWKBYDIDKVOPN-BXKDBHETSA-N	1	0	364.247	1.917	20	30		FDEDRO
N#CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C2=COCCO2)cc1	ZINC001085124726	921402743	/nfs/dbraw/zinc/40/27/43/921402743.db2.gz	GYDYBHZKXUMEAL-QZTJIDSGSA-N	1	0	371.437	1.994	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082541724	908407510	/nfs/dbraw/zinc/40/75/10/908407510.db2.gz	JRIGJEBCJYDGDA-SRCQZFHVSA-N	1	0	358.417	1.112	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2ccccc2=O)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082543115	908419830	/nfs/dbraw/zinc/41/98/30/908419830.db2.gz	IHOZRIFQVRDQOF-VQIMIIECSA-N	1	0	364.449	1.747	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCc2nnc(-c3ccccc3)o2)CC1	ZINC000921579904	908426147	/nfs/dbraw/zinc/42/61/47/908426147.db2.gz	WCHZIEMLACAZIK-UHFFFAOYSA-N	1	0	353.426	1.676	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2cc(C3CC3)nn2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082558045	908595786	/nfs/dbraw/zinc/59/57/86/908595786.db2.gz	XDEKJSZXZVBLJD-MLGOLLRUSA-N	1	0	370.482	1.725	20	30		FDEDRO
Cc1nn(C)cc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)s2)C1	ZINC001082563877	908657384	/nfs/dbraw/zinc/65/73/84/908657384.db2.gz	FUKGOSDKFBAGTG-SJKOYZFVSA-N	1	0	357.483	1.841	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnn(C(C)(C)C)c2)C1	ZINC001082568541	908710794	/nfs/dbraw/zinc/71/07/94/908710794.db2.gz	BWJRTUBJBBRPQL-QRQLOZEOSA-N	1	0	371.529	1.672	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082569745	908721450	/nfs/dbraw/zinc/72/14/50/908721450.db2.gz	BLYUROSVFUZWLN-OBQMCUGOSA-N	1	0	361.417	1.438	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1C	ZINC001082576257	908743118	/nfs/dbraw/zinc/74/31/18/908743118.db2.gz	YJJJUGADTGWTID-KBRIMQKVSA-N	1	0	370.453	1.030	20	30		FDEDRO
Cc1cc(=O)c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)s3)C2)cn1C	ZINC001082577909	908754805	/nfs/dbraw/zinc/75/48/05/908754805.db2.gz	AWBKNOCGOHISSK-SJKOYZFVSA-N	1	0	370.478	1.877	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082590283	908846789	/nfs/dbraw/zinc/84/67/89/908846789.db2.gz	MWOGQWLDAUJUKF-TWKYDXJASA-N	1	0	374.460	1.353	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ncccc3CC)C[C@H]2C)C1=O	ZINC001082608037	908982883	/nfs/dbraw/zinc/98/28/83/908982883.db2.gz	CWPCIAAVDWFIGH-HYVNUMGLSA-N	1	0	356.470	1.481	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1CN(Cc2cc(C)ncn2)C[C@H]1OC)OCC	ZINC001212354618	909067978	/nfs/dbraw/zinc/06/79/78/909067978.db2.gz	DIXOFJFBTQXTQH-KZNAEPCWSA-N	1	0	362.474	1.472	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)cn2C)C[C@H]1C	ZINC001082621232	909128625	/nfs/dbraw/zinc/12/86/25/909128625.db2.gz	CDTLDZUZSKEYCM-BXKDBHETSA-N	1	0	369.263	1.083	20	30		FDEDRO
COc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)nn1C	ZINC001082633942	909202210	/nfs/dbraw/zinc/20/22/10/909202210.db2.gz	WTVWRSHMAFXDGJ-CXAGYDPISA-N	1	0	353.426	1.551	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](CCCC3CCCC3)C[C@H]2O)nn1	ZINC001077812279	909221243	/nfs/dbraw/zinc/22/12/43/909221243.db2.gz	BJQIUMSFZILAKB-SJLPKXTDSA-N	1	0	361.490	1.600	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)ccc3C)C[C@H]2O)nn1	ZINC001077812467	909257234	/nfs/dbraw/zinc/25/72/34/909257234.db2.gz	GQHAQMRPSGFGGO-IEBWSBKVSA-N	1	0	369.469	1.446	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)cc(C)c3)C[C@H]2O)nn1	ZINC001077812693	909276875	/nfs/dbraw/zinc/27/68/75/909276875.db2.gz	NCVXPLXHLJRLCD-IEBWSBKVSA-N	1	0	369.469	1.446	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccc(=O)[nH]c2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082648754	909334069	/nfs/dbraw/zinc/33/40/69/909334069.db2.gz	VNMLFMZDTXTUPH-FZKQIMNGSA-N	1	0	368.412	1.977	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1C	ZINC001082662455	909388306	/nfs/dbraw/zinc/38/83/06/909388306.db2.gz	CIEOWURQZSOWQY-LDYMZIIASA-N	1	0	356.220	1.337	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1C	ZINC001082658827	909428712	/nfs/dbraw/zinc/42/87/12/909428712.db2.gz	ZXNKZCDQJJOBNT-BGNCJLHMSA-N	1	0	373.291	1.383	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H]3CCN(C4CCC4)C3=O)C2)cc1	ZINC001082678816	909565321	/nfs/dbraw/zinc/56/53/21/909565321.db2.gz	UZOQMGLZZOPLRI-UIAACRFSSA-N	1	0	365.477	1.871	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2cnc(C)n2C)C[C@H]1C	ZINC001082705674	909719028	/nfs/dbraw/zinc/71/90/28/909719028.db2.gz	SRYLTANYHKJHGV-CXAGYDPISA-N	1	0	367.453	1.859	20	30		FDEDRO
COc1ccc(C[NH2+]CC2CCN(C(=O)[C@]34C[C@H]3COC4)CC2)cc1C#N	ZINC000997797311	909734733	/nfs/dbraw/zinc/73/47/33/909734733.db2.gz	UWBLFCDFSGBYDN-RXVVDRJESA-N	1	0	369.465	1.932	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(OC)ccn3)C2)c1	ZINC001082729982	909862855	/nfs/dbraw/zinc/86/28/55/909862855.db2.gz	SGDSWAQCSYMXGQ-AUUYWEPGSA-N	1	0	350.422	1.717	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C)CC1	ZINC000765781352	909982798	/nfs/dbraw/zinc/98/27/98/909982798.db2.gz	HIMJBIOWDBYDKQ-LLVKDONJSA-N	1	0	360.405	1.639	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082750299	909987415	/nfs/dbraw/zinc/98/74/15/909987415.db2.gz	FFVWXMAECXCFKM-SJKOYZFVSA-N	1	0	356.405	1.385	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(=O)[nH]c(C3CC3)n2)C1	ZINC001082752127	909999747	/nfs/dbraw/zinc/99/97/47/909999747.db2.gz	RPXHTTYMKHCKRQ-YYQUZTFQSA-N	1	0	372.469	1.587	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H](CCSC)C(=O)N(C)OC)CC1	ZINC000765790882	910023615	/nfs/dbraw/zinc/02/36/15/910023615.db2.gz	IJEVTBLZULEUHG-AWEZNQCLSA-N	1	0	358.508	1.078	20	30		FDEDRO
C=CCC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@@H]1OC[C@@H]3CCC[C@@H]31)CC2	ZINC001128011930	910035502	/nfs/dbraw/zinc/03/55/02/910035502.db2.gz	GFIZOQDLHLOXKK-CYJAXWMASA-N	1	0	373.501	1.580	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)N2CCC(C)CC2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082787329	910164770	/nfs/dbraw/zinc/16/47/70/910164770.db2.gz	HHZFEGMGTVRUCD-VQIMIIECSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@@H](O)C3CCCCC3)C2)nn1	ZINC001082791360	910193247	/nfs/dbraw/zinc/19/32/47/910193247.db2.gz	NLACHASJXURHGN-QGPMSJSTSA-N	1	0	361.490	1.455	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(C#N)c1	ZINC000998064567	910260605	/nfs/dbraw/zinc/26/06/05/910260605.db2.gz	RKJVCDRXMUXYJQ-LTIDMASMSA-N	1	0	355.442	1.232	20	30		FDEDRO
N#Cc1cccc(C[NH2+]CC2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)c1	ZINC000998077485	910302173	/nfs/dbraw/zinc/30/21/73/910302173.db2.gz	GWAVCNJZLAXVKU-MOPGFXCFSA-N	1	0	368.481	1.788	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccc(C#N)cc2)CC1	ZINC000998079566	910308528	/nfs/dbraw/zinc/30/85/28/910308528.db2.gz	RIZMCALJUCKMOA-MOPGFXCFSA-N	1	0	368.481	1.611	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CC2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)c(F)c1	ZINC000998084804	910316672	/nfs/dbraw/zinc/31/66/72/910316672.db2.gz	YVITZUGHKRPUJQ-CVEARBPZSA-N	1	0	358.417	1.147	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCOC2)C[C@H]1C	ZINC001082824951	910331935	/nfs/dbraw/zinc/33/19/35/910331935.db2.gz	PIHLGLYZLQYTSM-WIBUTAKZSA-N	1	0	357.454	1.930	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nnc(C3CC3)[nH]2)CC1	ZINC000998094923	910333901	/nfs/dbraw/zinc/33/39/01/910333901.db2.gz	OVVOVDRVCPJCRX-CVEARBPZSA-N	1	0	359.474	1.601	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(CC3CC3)nn2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082828790	910347817	/nfs/dbraw/zinc/34/78/17/910347817.db2.gz	IHEQWXHDAZEQJY-RDTXWAMCSA-N	1	0	364.453	1.810	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000272968650	910360502	/nfs/dbraw/zinc/36/05/02/910360502.db2.gz	KOLIGXLYBQUYHG-MAUKXSAKSA-N	1	0	370.453	1.138	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCCN2C(N)=O)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082851765	910467203	/nfs/dbraw/zinc/46/72/03/910467203.db2.gz	BBPDVOHKNBCHOA-ZTFGCOKTSA-N	1	0	369.469	1.428	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCCCCC3)C2)nc1	ZINC001082869035	910509818	/nfs/dbraw/zinc/50/98/18/910509818.db2.gz	LGQAJGSYXPSQGL-VQIMIIECSA-N	1	0	368.481	1.516	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082869117	910510980	/nfs/dbraw/zinc/51/09/80/910510980.db2.gz	QQBZHYMKRSVNMC-MLGOLLRUSA-N	1	0	356.451	1.569	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccn(C)c(=O)c3)C2)cn1	ZINC001082870141	910517261	/nfs/dbraw/zinc/51/72/61/910517261.db2.gz	BRQXNZOECJZFFA-RDTXWAMCSA-N	1	0	350.422	1.012	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H]3CCN(C(C)(C)C)C3=O)C2)nc1	ZINC001082870470	910519211	/nfs/dbraw/zinc/51/92/11/910519211.db2.gz	YPGQIJQXLVKIPI-ZTFGCOKTSA-N	1	0	368.481	1.512	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@@H](O)c3ccc(F)cc3)C2)cn1	ZINC001082870914	910521967	/nfs/dbraw/zinc/52/19/67/910521967.db2.gz	RIGBBUGVKQQCSS-JSNMRZPZSA-N	1	0	367.424	1.986	20	30		FDEDRO
COCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)cn1	ZINC001082889469	910696910	/nfs/dbraw/zinc/69/69/10/910696910.db2.gz	BOJSAAIAMZUVMJ-DNVCBOLYSA-N	1	0	367.453	1.651	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]2OC)CCOCC1	ZINC001212395836	910749998	/nfs/dbraw/zinc/74/99/98/910749998.db2.gz	PQOIXKLIDSOOGI-RCCFBDPRSA-N	1	0	364.486	1.049	20	30		FDEDRO
CC(=O)N1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)CC1	ZINC001082910377	910845415	/nfs/dbraw/zinc/84/54/15/910845415.db2.gz	OJQJHKLUUGKZRK-FOIQADDNSA-N	1	0	368.481	1.753	20	30		FDEDRO
CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1)N1CCCC1=O	ZINC001082929959	910947390	/nfs/dbraw/zinc/94/73/90/910947390.db2.gz	BKAZQEDWNNVYBH-LZQZEXGQSA-N	1	0	368.481	1.896	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccc(CF)cc3)C[C@H]2C)C1=O	ZINC001082950942	911072219	/nfs/dbraw/zinc/07/22/19/911072219.db2.gz	QWOWFXHQTXJBHY-FHLIZLRMSA-N	1	0	359.445	1.993	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc(C(N)=O)n2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082951277	911074249	/nfs/dbraw/zinc/07/42/49/911074249.db2.gz	PEZVHDGELIYPRZ-BDJLRTHQSA-N	1	0	369.450	1.364	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(C#N)[nH]2)C1	ZINC000998625898	911331322	/nfs/dbraw/zinc/33/13/22/911331322.db2.gz	PQGOGCCJVMAVHR-YVVXQTMVSA-N	1	0	355.442	1.090	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2snnc2C)C1	ZINC000998785113	911662757	/nfs/dbraw/zinc/66/27/57/911662757.db2.gz	OEVWVJZBGBDAGE-CVSAEHQPSA-N	1	0	350.488	1.907	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccc(OC)nn2)C1	ZINC000998788980	911681388	/nfs/dbraw/zinc/68/13/88/911681388.db2.gz	VYMSFCTUZQWYFI-BACDZXNISA-N	1	0	360.458	1.545	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C1CC(N(C)C(=O)[C@]23C[C@H]2COC3)C1	ZINC000998798280	911704101	/nfs/dbraw/zinc/70/41/01/911704101.db2.gz	YEHNDYDZACSFQR-QVUWHDNHSA-N	1	0	355.438	1.682	20	30		FDEDRO
CO[C@H](C[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C#N)c[nH]3)[C@H]2C1)C1CCC1	ZINC001083040587	911763029	/nfs/dbraw/zinc/76/30/29/911763029.db2.gz	UMIAKWQNEHPOKP-RCCFBDPRSA-N	1	0	358.442	1.227	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CC[NH+](CC2)C3)nc1	ZINC000998948717	911895283	/nfs/dbraw/zinc/89/52/83/911895283.db2.gz	OWWSPXRPKUNFGC-NJAFHUGGSA-N	1	0	364.449	1.020	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@H+]2CCC[C@@H]2C)cn1	ZINC000998955463	911923407	/nfs/dbraw/zinc/92/34/07/911923407.db2.gz	XKHXYDFTIOMRPA-VLQPXKRTSA-N	1	0	366.465	1.409	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C(F)F)ncn3)[C@H]2C1	ZINC001083120624	911931285	/nfs/dbraw/zinc/93/12/85/911931285.db2.gz	VWTUZHQFMUCAET-LSDHHAIUSA-N	1	0	352.385	1.906	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC2(CCOCC2)C1	ZINC001089939467	912050837	/nfs/dbraw/zinc/05/08/37/912050837.db2.gz	RVNQDLIFKVZXDR-IXDOHACOSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@H]3CC[N@@H+](C[C@H](O)Cn4cccn4)C[C@H]32)CC1	ZINC001084631169	915709339	/nfs/dbraw/zinc/70/93/39/915709339.db2.gz	GCBFUZZAUABZGT-CEXWTWQISA-N	1	0	358.486	1.523	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCCC4)O3)[C@@H]2C1	ZINC001084658731	915907682	/nfs/dbraw/zinc/90/76/82/915907682.db2.gz	VFVFJMUQRUTLDK-TVFCKZIOSA-N	1	0	361.486	1.265	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(Cc4ccc(C#N)cc4)C[C@H]32)C1	ZINC001084662576	915921188	/nfs/dbraw/zinc/92/11/88/915921188.db2.gz	PAKNURSDGUGQHS-NSISKUIASA-N	1	0	352.482	1.933	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCC(=O)N2)cc1C#N	ZINC001085150652	921809971	/nfs/dbraw/zinc/80/99/71/921809971.db2.gz	RRTCGPJJGDTBCV-BRWVUGGUSA-N	1	0	370.453	1.362	20	30		FDEDRO
CC[C@@H](C(=O)N1C[C@H]2CCN(Cc3cc(C#N)ccc3OC)C[C@H]21)[NH+](C)C	ZINC001084667421	915979570	/nfs/dbraw/zinc/97/95/70/915979570.db2.gz	CORVSEXUPXFFGN-NZSAHSFTSA-N	1	0	370.497	1.940	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc4nonc4c3)C[C@H]21	ZINC001084672743	916065616	/nfs/dbraw/zinc/06/56/16/916065616.db2.gz	LGBQNIAABMATOW-RGCFKVTRSA-N	1	0	368.437	1.847	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCn3nc(C)nc3C)C[C@H]21	ZINC001084672885	916066641	/nfs/dbraw/zinc/06/66/41/916066641.db2.gz	SNPFVCARGQUWCA-TVFCKZIOSA-N	1	0	359.474	1.019	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000730125281	916140363	/nfs/dbraw/zinc/14/03/63/916140363.db2.gz	RAOPUUBCVMEQMQ-UHFFFAOYSA-N	1	0	352.479	1.899	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccn(C)c(=O)c4)C[C@H]32)cn1	ZINC001084783684	917088760	/nfs/dbraw/zinc/08/87/60/917088760.db2.gz	DKRDLVAPEHAHMC-IEBWSBKVSA-N	1	0	362.433	1.108	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@H]2CC[N@H+](CCN3CCCC3=O)C[C@H]21	ZINC001084799431	917210205	/nfs/dbraw/zinc/21/02/05/917210205.db2.gz	JNCQMRXSPDVKSP-WOJBJXKFSA-N	1	0	365.477	1.366	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)ccc1F	ZINC000730773928	917282718	/nfs/dbraw/zinc/28/27/18/917282718.db2.gz	MEVOEFPIVOTUCP-ZDUSSCGKSA-N	1	0	367.446	1.257	20	30		FDEDRO
C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(Cc4cc(C#N)ccc4F)C[C@H]32)C1	ZINC001084830004	917503521	/nfs/dbraw/zinc/50/35/21/917503521.db2.gz	HAXYWJWYWNVTAV-GPMSIDNRSA-N	1	0	356.445	1.682	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)CCN4CCCC4=O)[C@@H]3C2)c1	ZINC001084835854	917534760	/nfs/dbraw/zinc/53/47/60/917534760.db2.gz	YEWILASYDZTOQF-RTBURBONSA-N	1	0	366.465	1.603	20	30		FDEDRO
CCN(C1CC[NH+](Cc2ccc(OCC#N)cc2)CC1)S(C)(=O)=O	ZINC000731355994	917994655	/nfs/dbraw/zinc/99/46/55/917994655.db2.gz	MZAUIKGUIAMSLC-UHFFFAOYSA-N	1	0	351.472	1.835	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)CCc4ccco4)C[C@@H]32)C1=O	ZINC001084888228	918003936	/nfs/dbraw/zinc/00/39/36/918003936.db2.gz	CWHTUYQJXMSLOA-WDSOQIARSA-N	1	0	371.481	1.922	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cc(C)nn4C)C[C@@H]32)C1=O	ZINC001084899481	918106302	/nfs/dbraw/zinc/10/63/02/918106302.db2.gz	FDOWRBGUXVGZJR-JZXOWHBKSA-N	1	0	371.485	1.052	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H]2CC[N@H+](Cc3ccc4oc(=O)n(C)c4c3)[C@H]2C1	ZINC001084906844	918174230	/nfs/dbraw/zinc/17/42/30/918174230.db2.gz	JOKYRRZSHTZYMP-LXZKKBNFSA-N	1	0	368.437	1.714	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cccc(=O)[nH]4)C[C@@H]32)C1=O	ZINC001084913090	918262041	/nfs/dbraw/zinc/26/20/41/918262041.db2.gz	XTIUJADHPFYHIN-XIRDDKMYSA-N	1	0	370.453	1.111	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3CC[N@H+](CCN4CCCC4=O)[C@H]3C2)c1	ZINC001084914966	918280002	/nfs/dbraw/zinc/28/00/02/918280002.db2.gz	QUWLZJUKQPCIJM-WBVHZDCISA-N	1	0	355.442	1.045	20	30		FDEDRO
CCn1cc(CC[N@@H+]2CC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)cn1	ZINC001084915257	918283344	/nfs/dbraw/zinc/28/33/44/918283344.db2.gz	OHXLTDITODYURE-MJGOQNOKSA-N	1	0	366.469	1.882	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3CC[N@H+](C[C@@H]4CCNC(=O)CC4)[C@H]3C2)c1	ZINC001084915821	918288116	/nfs/dbraw/zinc/28/81/16/918288116.db2.gz	SPINFRCKAXWKFA-LESCRADOSA-N	1	0	369.469	1.339	20	30		FDEDRO
C[C@@H](C(=O)N1CC[C@H]2CC[N@H+](Cc3ccc(C#N)s3)[C@H]2C1)n1cncn1	ZINC001084924873	918350090	/nfs/dbraw/zinc/35/00/90/918350090.db2.gz	XIZNANPPQCQCFG-VBQJREDUSA-N	1	0	370.482	1.895	20	30		FDEDRO
CC(=O)N1CC(C(=O)N2CC[C@H]3CC[N@H+](CC#Cc4ccccc4)[C@H]3C2)C1	ZINC001084929200	918385392	/nfs/dbraw/zinc/38/53/92/918385392.db2.gz	RUZSRWOMQSRYQM-CTNGQTDRSA-N	1	0	365.477	1.439	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4COC(=O)N4)C[C@@H]32)s1	ZINC001084932192	918482983	/nfs/dbraw/zinc/48/29/83/918482983.db2.gz	KOISRRPGNODWOQ-UGFHNGPFSA-N	1	0	360.439	1.151	20	30		FDEDRO
Cc1nnc(CC(=O)N2CC[C@H]3CC[N@H+](Cc4ccccc4C#N)[C@H]3C2)[nH]1	ZINC001084936843	918511299	/nfs/dbraw/zinc/51/12/99/918511299.db2.gz	RJYPSZCIAXIXRI-QAPCUYQASA-N	1	0	364.453	1.650	20	30		FDEDRO
Cc1nnc(CC(=O)N2CC[C@H]3CC[N@H+](Cc4ccc(C#N)s4)[C@H]3C2)[nH]1	ZINC001084936874	918513225	/nfs/dbraw/zinc/51/32/25/918513225.db2.gz	USMNRNWPPQTBBW-CJNGLKHVSA-N	1	0	370.482	1.712	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)C4(C(F)F)CC4)C[C@@H]32)C1=O	ZINC001084939374	918554578	/nfs/dbraw/zinc/55/45/78/918554578.db2.gz	IKGRWCDITFYWIW-KKUMJFAQSA-N	1	0	367.440	1.741	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)CC(C)(C)C3=O)C[C@@H]21	ZINC001084940405	918566403	/nfs/dbraw/zinc/56/64/03/918566403.db2.gz	BKZCBJXEHHZZQI-CVEARBPZSA-N	1	0	361.486	1.661	20	30		FDEDRO
CN1C[C@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4cccc(C#N)c4)[C@H]3C2)CC1=O	ZINC001084952980	918730769	/nfs/dbraw/zinc/73/07/69/918730769.db2.gz	OETNXGVCVKNECM-QRVBRYPASA-N	1	0	366.465	1.459	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3OCCO[C@@H]3c3ccccc3)C[C@@H]21	ZINC001084963467	918891362	/nfs/dbraw/zinc/89/13/62/918891362.db2.gz	XDOUQMCUHYZZLX-GSEOLPGOSA-N	1	0	354.450	1.699	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cncc(C)c3)[C@H]2C1	ZINC001084960971	918905575	/nfs/dbraw/zinc/90/55/75/918905575.db2.gz	CEGDNQBVNNQLOO-HKBOAZHASA-N	1	0	366.509	1.910	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCO[C@H]3c3cnn(C)c3)C[C@@H]21	ZINC001084961197	918908330	/nfs/dbraw/zinc/90/83/30/918908330.db2.gz	REZVYABMVKDDSO-LMCOJAPRSA-N	1	0	370.497	1.834	20	30		FDEDRO
N#CCOc1ccc(CC(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1	ZINC000732068136	918984498	/nfs/dbraw/zinc/98/44/98/918984498.db2.gz	LJCWVKDNTGBJDV-SFHVURJKSA-N	1	0	370.453	1.072	20	30		FDEDRO
C[C@]1(C(=O)N2CC[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)[C@H]3C2)CNC(=O)C1	ZINC001084996173	919349291	/nfs/dbraw/zinc/34/92/91/919349291.db2.gz	UKLQGBDFKDXCIU-LVCYWYKZSA-N	1	0	366.465	1.507	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3nc4ccccn4c3=O)C[C@@H]21	ZINC001085001440	919463790	/nfs/dbraw/zinc/46/37/90/919463790.db2.gz	CKSHYIMIMFWXIO-SJORKVTESA-N	1	0	369.469	1.385	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cccnc4C)C[C@@H]32)C1=O	ZINC001085019680	919734473	/nfs/dbraw/zinc/73/44/73/919734473.db2.gz	HKNGZICZTOEICG-UHOSZYNNSA-N	1	0	368.481	1.713	20	30		FDEDRO
C[C@@]1(C(=O)N2CC[C@H]3CC[N@H+](Cc4cccc(C#N)c4)[C@H]3C2)CCNC1=O	ZINC001085030743	919876072	/nfs/dbraw/zinc/87/60/72/919876072.db2.gz	QWNHVLJTNSKIKK-LVCYWYKZSA-N	1	0	366.465	1.507	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)C[C@@H]21	ZINC001085054566	920168821	/nfs/dbraw/zinc/16/88/21/920168821.db2.gz	KMLKIDWCBHQQNG-AKHDSKFASA-N	1	0	358.486	1.787	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CCC(C(=O)N(C)C)CC3)C[C@@H]21	ZINC001085073222	920461266	/nfs/dbraw/zinc/46/12/66/920461266.db2.gz	APCALLCZJORODD-UGXKVIGPSA-N	1	0	359.514	1.827	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3c[nH]nc3-c3cnn(C)c3)C[C@@H]21	ZINC001085071462	920476095	/nfs/dbraw/zinc/47/60/95/920476095.db2.gz	MXMCTRQOQDRESB-PBHICJAKSA-N	1	0	352.442	1.370	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1CC[C@H]2CC[N@@H+](C[C@H](C)OC)[C@H]2C1	ZINC001085077490	920577992	/nfs/dbraw/zinc/57/79/92/920577992.db2.gz	FLUYWSPFRDMZGL-JZXOWHBKSA-N	1	0	357.454	1.665	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4cnnn4)cc3)C[C@@H]21	ZINC001085088934	920770291	/nfs/dbraw/zinc/77/02/91/920770291.db2.gz	NGURNFUNCFGKOW-QAPCUYQASA-N	1	0	350.426	1.222	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)Cc4ccc[nH]4)C[C@@H]32)C1=O	ZINC001085098085	920843252	/nfs/dbraw/zinc/84/32/52/920843252.db2.gz	WIHFRNRAVKPJGE-SZMVWBNQSA-N	1	0	356.470	1.267	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(Cc4nccn4C)[C@H]3C2)CC1	ZINC001085100560	920914077	/nfs/dbraw/zinc/91/40/77/920914077.db2.gz	MSTAIHAKNQMZRN-MJGOQNOKSA-N	1	0	369.513	1.188	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCC3CCN(C(C)=O)CC3)C[C@@H]21	ZINC001085098303	920932915	/nfs/dbraw/zinc/93/29/15/920932915.db2.gz	KNPXJDKVWDNLBI-UXHICEINSA-N	1	0	359.514	1.971	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnn(CC)c2)C1=O	ZINC001085154331	921841147	/nfs/dbraw/zinc/84/11/47/921841147.db2.gz	ODPHQVDOLWHGJG-BRWVUGGUSA-N	1	0	359.474	1.321	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2ccc(C)o2)C1=O	ZINC001085174711	921994261	/nfs/dbraw/zinc/99/42/61/921994261.db2.gz	PXQOCEIRCYJTJT-KURKYZTESA-N	1	0	359.470	1.934	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CCN(c3nc(C)cc(C#N)n3)C2)CC[N@@H+]1C	ZINC001065346639	922245095	/nfs/dbraw/zinc/24/50/95/922245095.db2.gz	YBDWTRFITOZTTG-FCEWJHQRSA-N	1	0	356.474	1.472	20	30		FDEDRO
C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1	ZINC001066218688	922615880	/nfs/dbraw/zinc/61/58/80/922615880.db2.gz	MLIYOEARJFCBBD-IXDOHACOSA-N	1	0	351.491	1.417	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3c2ccc(C#N)nc2)CC[N@@H+]1C	ZINC001066203553	922625524	/nfs/dbraw/zinc/62/55/24/922625524.db2.gz	SXGPHHAADFJOJI-OAOYMFHYSA-N	1	0	353.470	1.863	20	30		FDEDRO
CCN1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)CC1=O	ZINC001085216378	922848528	/nfs/dbraw/zinc/84/85/28/922848528.db2.gz	NWLLSARNOGJMPN-IPMKNSEASA-N	1	0	368.481	1.944	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(OC)ccn1	ZINC001085229706	922981932	/nfs/dbraw/zinc/98/19/32/922981932.db2.gz	GECDVBLBXGDLRO-AQNXPRMDSA-N	1	0	370.497	1.705	20	30		FDEDRO
CN1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)C1=O	ZINC001085237009	923029714	/nfs/dbraw/zinc/02/97/14/923029714.db2.gz	CTPMFBFTCMLVEX-IPMKNSEASA-N	1	0	368.481	1.944	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)ccc1F	ZINC000734243528	923120809	/nfs/dbraw/zinc/12/08/09/923120809.db2.gz	LCHQDILHZYDPRI-OAHLLOKOSA-N	1	0	367.446	1.619	20	30		FDEDRO
N#Cc1cccnc1NCCNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000734271722	923148366	/nfs/dbraw/zinc/14/83/66/923148366.db2.gz	LUBRFZOSJUXXNX-KRWDZBQOSA-N	1	0	372.473	1.308	20	30		FDEDRO
CCN1CCOC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001085251898	923205170	/nfs/dbraw/zinc/20/51/70/923205170.db2.gz	MEEPFUSGXBYPCN-AQNXPRMDSA-N	1	0	370.497	1.796	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc2c(=O)[nH]c(C)cn2n1	ZINC001085286004	923525447	/nfs/dbraw/zinc/52/54/47/923525447.db2.gz	OBTVQHWNWUXXIQ-CHWSQXEVSA-N	1	0	363.849	1.714	20	30		FDEDRO
C=CC[C@@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccncc1	ZINC000734669626	923608917	/nfs/dbraw/zinc/60/89/17/923608917.db2.gz	YQBOFYHMCBTSSV-GOSISDBHSA-N	1	0	373.501	1.941	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(=O)cn2)ccc1F	ZINC001085312826	923791323	/nfs/dbraw/zinc/79/13/23/923791323.db2.gz	YBYXPNBDLVJKKJ-HZPDHXFCSA-N	1	0	369.400	1.611	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(C)n(C)n2)c1	ZINC001085325778	923916973	/nfs/dbraw/zinc/91/69/73/923916973.db2.gz	DKEVUDQJVLLVCO-RTBURBONSA-N	1	0	351.454	1.936	20	30		FDEDRO
N#CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2nc[nH]n2)cc1	ZINC001085387267	924378914	/nfs/dbraw/zinc/37/89/14/924378914.db2.gz	HMOUCNSXLUNYOR-IAGOWNOFSA-N	1	0	368.441	1.467	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCN(C(C)C)C2=O)cn1	ZINC001085397451	924443828	/nfs/dbraw/zinc/44/38/28/924443828.db2.gz	KHFFMJATORRNSD-QRVBRYPASA-N	1	0	368.481	1.703	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCNC(=O)CC2)cn1	ZINC001085399054	924450608	/nfs/dbraw/zinc/45/06/08/924450608.db2.gz	NWPMXPFWGXZSGM-ATZDWAIDSA-N	1	0	368.481	1.610	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(CC)C1=O	ZINC001085406422	924484462	/nfs/dbraw/zinc/48/44/62/924484462.db2.gz	FJHXPMMXTZCQNW-VAMGGRTRSA-N	1	0	367.493	1.848	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC)C[NH+]2CCCC2)cc1	ZINC000735811411	924566823	/nfs/dbraw/zinc/56/68/23/924566823.db2.gz	XAKGWTYOPSGXPK-INIZCTEOSA-N	1	0	363.483	1.202	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NCc2coc(C)n2)CC1	ZINC001085432497	924678674	/nfs/dbraw/zinc/67/86/74/924678674.db2.gz	ARWLWOLJBSGQPH-RTBURBONSA-N	1	0	358.486	1.845	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)NC(=O)Nc2ccc(C)c(C)c2)CC1	ZINC000735940233	924687054	/nfs/dbraw/zinc/68/70/54/924687054.db2.gz	NNTSGSBENAHCMD-UHFFFAOYSA-N	1	0	371.437	1.840	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[C@@H]2CC(=O)NC2=O)c1	ZINC001085441631	924735261	/nfs/dbraw/zinc/73/52/61/924735261.db2.gz	IDPRQWLDNCLFPF-BRWVUGGUSA-N	1	0	368.437	1.128	20	30		FDEDRO
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1	ZINC000739916252	925323078	/nfs/dbraw/zinc/32/30/78/925323078.db2.gz	WDSAITAIXGUNII-RBUKOAKNSA-N	1	0	357.454	1.959	20	30		FDEDRO
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCN([C@H]2CCC[N@H+](C)C2)CC1	ZINC000739915919	925323922	/nfs/dbraw/zinc/32/39/22/925323922.db2.gz	UIHWHPMBMFACJR-RBUKOAKNSA-N	1	0	356.470	1.484	20	30		FDEDRO
Cc1ncc(CO)c(/C=N\CC2([NH+]3CCCCC3)CCN(C)CC2)c1O	ZINC000741843799	925880166	/nfs/dbraw/zinc/88/01/66/925880166.db2.gz	MGSMXXDUQCXLSL-BKUYFWCQSA-N	1	0	360.502	1.957	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2c(C)nnn2CC)C1	ZINC001086089325	925944495	/nfs/dbraw/zinc/94/44/95/925944495.db2.gz	UWQFCVGLMFFOSD-HPFXQQBRSA-N	1	0	361.490	1.572	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@]34CCC[C@H]3OCC4)C2)C1=O	ZINC001086146509	926124552	/nfs/dbraw/zinc/12/45/52/926124552.db2.gz	MBLOGFYUVITZNY-PHSQPZKOSA-N	1	0	361.486	1.217	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCn2cc(Cl)cn2)C1	ZINC001086202347	926288381	/nfs/dbraw/zinc/28/83/81/926288381.db2.gz	UVQUKGSMEAJOLD-BVUBDWEXSA-N	1	0	352.866	1.612	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3cccnc3)C2)C1=O	ZINC001086205938	926298796	/nfs/dbraw/zinc/29/87/96/926298796.db2.gz	RLEVGZIQDSTSQL-IKLKHMQRSA-N	1	0	368.481	1.456	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCN(CC)C2=O)C1	ZINC001086220638	926326506	/nfs/dbraw/zinc/32/65/06/926326506.db2.gz	JWFJCFJTFOHTBC-RZFLPCETSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCn2nc(C)nc2C)C1	ZINC001086223623	926340658	/nfs/dbraw/zinc/34/06/58/926340658.db2.gz	ZQOUPPXILUTXLD-MHORFTMASA-N	1	0	361.490	1.361	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C3)cn1	ZINC001006291064	926362286	/nfs/dbraw/zinc/36/22/86/926362286.db2.gz	ZCNKEJHJJHXDRH-PIKADFDJSA-N	1	0	366.465	1.266	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O	ZINC000743472229	926369714	/nfs/dbraw/zinc/36/97/14/926369714.db2.gz	BOPZDYQTNKYIKS-HNNXBMFYSA-N	1	0	365.380	1.513	20	30		FDEDRO
C=CCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)CC1	ZINC001098426855	926751740	/nfs/dbraw/zinc/75/17/40/926751740.db2.gz	ABOSDDJSCQOOPP-RBUKOAKNSA-N	1	0	350.503	1.911	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N2CCCCC2)C1	ZINC001086368940	926861704	/nfs/dbraw/zinc/86/17/04/926861704.db2.gz	GPQMWLGDNGTRGZ-TVFCKZIOSA-N	1	0	363.502	1.465	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)c1	ZINC001086436865	927249484	/nfs/dbraw/zinc/24/94/84/927249484.db2.gz	ZDNMIEOEFRCFPY-VYJAJWGXSA-N	1	0	369.465	1.594	20	30		FDEDRO
C#CCN(CC#CC)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000745503338	927274087	/nfs/dbraw/zinc/27/40/87/927274087.db2.gz	LIHQSPPGYWCEIK-UHFFFAOYSA-N	1	0	352.482	1.867	20	30		FDEDRO
C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)Nc2cnn(CC#N)c2)C1	ZINC000746375664	927923990	/nfs/dbraw/zinc/92/39/90/927923990.db2.gz	AJQNIGROSVCSPP-OKILXGFUSA-N	1	0	360.462	1.218	20	30		FDEDRO
C=CCOC(=O)N1CCC2(C[NH+]([C@H]3CC[C@H](C(=O)OCC)OC3)C2)CC1	ZINC001169368761	928477017	/nfs/dbraw/zinc/47/70/17/928477017.db2.gz	SYMNLVFHQJJTFP-JKSUJKDBSA-N	1	0	366.458	1.818	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cnn(C(F)F)c2)[C@@H](n2ccnn2)C1	ZINC001129342050	928853458	/nfs/dbraw/zinc/85/34/58/928853458.db2.gz	AJUUKFXRGNCAQG-KGLIPLIRSA-N	1	0	365.388	1.491	20	30		FDEDRO
CCCCCCC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C)O3)CC2=O)C1	ZINC001108573501	928938289	/nfs/dbraw/zinc/93/82/89/928938289.db2.gz	WSHNHVBIEXIYOJ-SOLBZPMBSA-N	1	0	365.518	1.926	20	30		FDEDRO
C[N@@H+]1CCN(CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C(C)(C)C1	ZINC000766998402	929049800	/nfs/dbraw/zinc/04/98/00/929049800.db2.gz	GJGTWKPFNJXNGX-AWEZNQCLSA-N	1	0	353.426	1.538	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2C2CC2)[C@@H](n2ccnn2)C1	ZINC001129359597	929113191	/nfs/dbraw/zinc/11/31/91/929113191.db2.gz	IQPITAULNCYUNU-XYPHTWIQSA-N	1	0	369.473	1.889	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)NC1CC[NH+](CCCOC)CC1)c1ccncc1	ZINC000804354525	929319599	/nfs/dbraw/zinc/31/95/99/929319599.db2.gz	XNGAVTQMAOVTOA-GOSISDBHSA-N	1	0	374.485	1.432	20	30		FDEDRO
Cn1nnc2cc(C[N@@H+]3[C@@H]4CC[C@H]3[C@@H](NC(=O)CSCC#N)C4)ccc21	ZINC001108947531	929584301	/nfs/dbraw/zinc/58/43/01/929584301.db2.gz	XMPJQNCVHMJZBK-KEYYUXOJSA-N	1	0	370.482	1.447	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncc3cccnc31)C2	ZINC001109538468	929718798	/nfs/dbraw/zinc/71/87/98/929718798.db2.gz	CJRYNAUBDYXBAP-IKGGRYGDSA-N	1	0	355.442	1.355	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CCC)S(N)(=O)=O)C2	ZINC001109559566	929757405	/nfs/dbraw/zinc/75/74/05/929757405.db2.gz	HJNUYCRVEVUSSW-LTIDMASMSA-N	1	0	371.547	1.912	20	30		FDEDRO
C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCCOC	ZINC001109604256	929926448	/nfs/dbraw/zinc/92/64/48/929926448.db2.gz	AHQQEEUWGLNLLT-XWSJACJDSA-N	1	0	366.502	1.316	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOC[C@@H]2CCCO2)c1	ZINC001109696486	930139955	/nfs/dbraw/zinc/13/99/55/930139955.db2.gz	DKVHWAMHPNLDFD-FYQPLNBISA-N	1	0	369.465	1.594	20	30		FDEDRO
COC(=O)C[C@@]1([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCCOC1	ZINC000770701044	930211670	/nfs/dbraw/zinc/21/16/70/930211670.db2.gz	QGDGXCPWQWFVIV-KRWDZBQOSA-N	1	0	366.439	1.034	20	30		FDEDRO
COC(=O)C[C@@]1([NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)CCCOC1	ZINC000770702568	930214286	/nfs/dbraw/zinc/21/42/86/930214286.db2.gz	WSIVHAJFHVTBTR-KRWDZBQOSA-N	1	0	365.455	1.877	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C2	ZINC001109720086	930242081	/nfs/dbraw/zinc/24/20/81/930242081.db2.gz	TXXLXOJYBSABEQ-NHAYFPRASA-N	1	0	365.493	1.570	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)c1cccnc1)C2	ZINC001109746754	930312770	/nfs/dbraw/zinc/31/27/70/930312770.db2.gz	LGRKAMMVRYHNHN-RANZSIQMSA-N	1	0	356.470	1.888	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N(C)C)nc1	ZINC000770895003	930319379	/nfs/dbraw/zinc/31/93/79/930319379.db2.gz	WWEMYQLBXRURAG-CQSZACIVSA-N	1	0	367.471	1.222	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCC(C)C	ZINC001109804187	930493797	/nfs/dbraw/zinc/49/37/97/930493797.db2.gz	GQCBTUMAIFVAHL-HCXYKTFWSA-N	1	0	365.518	1.851	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)C2	ZINC001109814150	930516527	/nfs/dbraw/zinc/51/65/27/930516527.db2.gz	OEOLPBWEPBIEGG-PMPSAXMXSA-N	1	0	371.547	1.782	20	30		FDEDRO
CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1	ZINC001109828398	930534405	/nfs/dbraw/zinc/53/44/05/930534405.db2.gz	ZXDBZKPIFJHHIJ-QYZOEREBSA-N	1	0	368.481	1.942	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O)C2	ZINC001109876380	930674302	/nfs/dbraw/zinc/67/43/02/930674302.db2.gz	INCQJDRMKRNZDQ-YOENINGUSA-N	1	0	360.458	1.815	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(=O)NCCCOC)C2	ZINC001109959706	930882526	/nfs/dbraw/zinc/88/25/26/930882526.db2.gz	XJEHQRAFJHWPQR-IKGGRYGDSA-N	1	0	351.491	1.607	20	30		FDEDRO
C=C(Br)CNC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000771764753	930900750	/nfs/dbraw/zinc/90/07/50/930900750.db2.gz	CUERYXSQORHETM-AWEZNQCLSA-N	1	0	359.312	1.705	20	30		FDEDRO
C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(F)c(C#N)c1	ZINC001109977768	930937330	/nfs/dbraw/zinc/93/73/30/930937330.db2.gz	YPRNGKLKTBMYOJ-NEWSRXKRSA-N	1	0	374.460	1.497	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@]1(C)CCS(=O)(=O)N1)C2	ZINC001110040347	931192485	/nfs/dbraw/zinc/19/24/85/931192485.db2.gz	JTHOTKULCJDKOY-AESZEHBQSA-N	1	0	355.504	1.146	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNS(=O)(=O)CCCC)C2	ZINC001110042827	931219177	/nfs/dbraw/zinc/21/91/77/931219177.db2.gz	IQYDHBFTURACQS-PMPSAXMXSA-N	1	0	357.520	1.394	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCN1CCOCC1)C2	ZINC001112546484	931437762	/nfs/dbraw/zinc/43/77/62/931437762.db2.gz	MYTGYIRUWDFRQP-ICSRJNTNSA-N	1	0	365.518	1.130	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(S(C)(=O)=O)CCC1)C2	ZINC001112554629	931523510	/nfs/dbraw/zinc/52/35/10/931523510.db2.gz	BRAVQTNCXZAIEO-RDJZCZTQSA-N	1	0	352.500	1.195	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)OCc2ccccc2C#N)CC1=O	ZINC000785652512	931527072	/nfs/dbraw/zinc/52/70/72/931527072.db2.gz	YDTFPGXLISZLOA-ROUUACIJSA-N	1	0	355.438	1.934	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnn(CCCOC)c1)C2	ZINC001112559868	931566175	/nfs/dbraw/zinc/56/61/75/931566175.db2.gz	TYXSISLWKFKHTQ-ICSRJNTNSA-N	1	0	358.486	1.775	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C(=O)N(C)C)CC1)C2	ZINC001112561405	931587613	/nfs/dbraw/zinc/58/76/13/931587613.db2.gz	WMQKTIQOIUKHQA-LPHOPBHVSA-N	1	0	363.502	1.276	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnc(OCC3CC3)cn1)C2	ZINC001112562269	931593304	/nfs/dbraw/zinc/59/33/04/931593304.db2.gz	PCVBEHKHIMGMFZ-JXFKEZNVSA-N	1	0	354.454	1.731	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)c1ccco1)C2	ZINC001112574262	931680384	/nfs/dbraw/zinc/68/03/84/931680384.db2.gz	XQJYFSMBXGSAHR-KSSFIOAISA-N	1	0	365.861	1.980	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)c1cccc(F)c1)C2	ZINC001112574127	931680531	/nfs/dbraw/zinc/68/05/31/931680531.db2.gz	PAKOWMNMGJLVFE-JXFKEZNVSA-N	1	0	359.445	1.960	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CCC=CCC1)C2	ZINC001112580077	931719017	/nfs/dbraw/zinc/71/90/17/931719017.db2.gz	WJZZKCVMCLBLPR-RXVVDRJESA-N	1	0	357.498	1.701	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c[nH]cc1C)C2	ZINC001112578635	931734747	/nfs/dbraw/zinc/73/47/47/931734747.db2.gz	XYVOPXUJHIZNIO-GUXCAODWSA-N	1	0	356.470	1.293	20	30		FDEDRO
C[C@@H](OC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)NC1(C#N)CCC1	ZINC000786097953	931749290	/nfs/dbraw/zinc/74/92/90/931749290.db2.gz	NDEHPHHDSMJPDE-OAHLLOKOSA-N	1	0	363.458	1.516	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CN(CC)CCO1)C2	ZINC001112583421	931754363	/nfs/dbraw/zinc/75/43/63/931754363.db2.gz	SDHYRXCKHPZBME-BJLQDIEVSA-N	1	0	365.518	1.128	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCc3nnc(C)n3C1)C2	ZINC001112583738	931757668	/nfs/dbraw/zinc/75/76/68/931757668.db2.gz	HLUXZIPEOMDURX-ZWOKBUDYSA-N	1	0	355.486	1.391	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCN1CC(F)(F)F)C2	ZINC001112585815	931767060	/nfs/dbraw/zinc/76/70/60/931767060.db2.gz	SEXFVPBODDEKCM-UXLLHSPISA-N	1	0	357.420	1.865	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cc(OC)no2)C1	ZINC001112589451	931807042	/nfs/dbraw/zinc/80/70/42/931807042.db2.gz	ADLWEDKVEPKECS-VCBZYWHSSA-N	1	0	363.458	1.993	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O)[NH+]1CCCCC1	ZINC001090440058	931833099	/nfs/dbraw/zinc/83/30/99/931833099.db2.gz	RMHMNKCTNZQMSH-ZHALLVOQSA-N	1	0	371.485	1.129	20	30		FDEDRO
N#Cc1nccc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)n1	ZINC001170066654	932138501	/nfs/dbraw/zinc/13/85/01/932138501.db2.gz	MFYLKVUEHFBUEX-UHFFFAOYSA-N	1	0	354.395	1.050	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCCO1	ZINC000787907962	932460749	/nfs/dbraw/zinc/46/07/49/932460749.db2.gz	BQUXPGPLELPSIL-MHORFTMASA-N	1	0	363.502	1.158	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)c1ccncc1	ZINC000788462379	932704729	/nfs/dbraw/zinc/70/47/29/932704729.db2.gz	ZAODXDGHSTZZAI-GOSISDBHSA-N	1	0	356.470	1.806	20	30		FDEDRO
C=CCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccsc1	ZINC000790724836	933715520	/nfs/dbraw/zinc/71/55/20/933715520.db2.gz	KQBANHNHAGLJOI-ZDUSSCGKSA-N	1	0	366.512	1.934	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2COCCN2CC)C1	ZINC001086596298	933926425	/nfs/dbraw/zinc/92/64/25/933926425.db2.gz	VBGMACHSNUQQEU-XUVXKRRUSA-N	1	0	355.482	1.315	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2COCCN2CC)C1	ZINC001086596048	933926829	/nfs/dbraw/zinc/92/68/29/933926829.db2.gz	IHOUSMHVZVXPQT-XUVXKRRUSA-N	1	0	355.482	1.315	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc3n(n2)CCCO3)C1	ZINC001086599107	934011960	/nfs/dbraw/zinc/01/19/60/934011960.db2.gz	WCYHXHWZWCDDMI-PKOBYXMFSA-N	1	0	364.449	1.887	20	30		FDEDRO
N#C[C@H](c1cccc(Cl)c1)N1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1	ZINC000791621479	934068344	/nfs/dbraw/zinc/06/83/44/934068344.db2.gz	VLIYQZGJMMFMJZ-RBUKOAKNSA-N	1	0	362.905	1.979	20	30		FDEDRO
CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NCc2cc(C#N)ccc2F)CC1	ZINC000793739435	934259625	/nfs/dbraw/zinc/25/96/25/934259625.db2.gz	BLGCRBZDGUYHCQ-UHFFFAOYSA-N	1	0	360.433	1.693	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)COc2ccc(C)cc2)CC1	ZINC000793787463	934271489	/nfs/dbraw/zinc/27/14/89/934271489.db2.gz	JACPAVVBUYYJDJ-INIZCTEOSA-N	1	0	359.470	1.645	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1	ZINC000793813082	934289689	/nfs/dbraw/zinc/28/96/89/934289689.db2.gz	NYHMSLHLEABGSG-XHDPSFHLSA-N	1	0	360.296	1.638	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCCO1	ZINC000793911393	938336776	/nfs/dbraw/zinc/33/67/76/938336776.db2.gz	BHKDSPDXQWZAMD-NCOADZHNSA-N	1	0	363.502	1.156	20	30		FDEDRO
C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(F)cc2OCC#N)[C@@H](C)C1	ZINC000794235596	938374601	/nfs/dbraw/zinc/37/46/01/938374601.db2.gz	AKXHULCCWNXCEW-QWHCGFSZSA-N	1	0	350.394	1.647	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CN(CC)c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129449295	938419606	/nfs/dbraw/zinc/41/96/06/938419606.db2.gz	KUFGTRPEVURKQH-MOPGFXCFSA-N	1	0	366.469	1.169	20	30		FDEDRO
COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129449807	938420283	/nfs/dbraw/zinc/42/02/83/938420283.db2.gz	ZRRYZLMHAQSMHW-QRQLOZEOSA-N	1	0	367.453	1.096	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2CCCCCC2=O)C1	ZINC001086622506	938421508	/nfs/dbraw/zinc/42/15/08/938421508.db2.gz	BCWBDQOTRCXCLZ-VQTJNVASSA-N	1	0	367.493	1.997	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1	ZINC001086622585	938421813	/nfs/dbraw/zinc/42/18/13/938421813.db2.gz	GDOWIMOIUMAYOR-FUHWJXTLSA-N	1	0	352.438	1.554	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)CN2CCCC2)[C@@H](n2ccnn2)C1	ZINC001129433600	938423646	/nfs/dbraw/zinc/42/36/46/938423646.db2.gz	IGYWOPZPDAPFJE-MSOLQXFVSA-N	1	0	362.522	1.686	20	30		FDEDRO
C#CCNc1nc(NCC2CCOCC2)[nH+]c(NCC2CCOCC2)n1	ZINC000804400019	938424434	/nfs/dbraw/zinc/42/44/34/938424434.db2.gz	LKGRYBABIPLNKA-UHFFFAOYSA-N	1	0	360.462	1.594	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)COc2cc(C)cc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129438318	938425719	/nfs/dbraw/zinc/42/57/19/938425719.db2.gz	QLTBCYKVAMCCCW-MOPGFXCFSA-N	1	0	369.469	1.892	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccnc(C)n2)[C@@H](n2ccnn2)C1	ZINC001129438410	938425755	/nfs/dbraw/zinc/42/57/55/938425755.db2.gz	UJKONYWVQNWJJR-XYPHTWIQSA-N	1	0	355.446	1.387	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)[C@@H](n2ccnn2)C1	ZINC001129441491	938427113	/nfs/dbraw/zinc/42/71/13/938427113.db2.gz	VEUODTDOSHQSFP-VHSSKADRSA-N	1	0	371.489	1.414	20	30		FDEDRO
C#C[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccc(Cl)cc1F	ZINC000804419245	938427670	/nfs/dbraw/zinc/42/76/70/938427670.db2.gz	IHLHGNGOXSPZIQ-LRDDRELGSA-N	1	0	365.836	1.680	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C)C[C@@H]1n1ccnn1	ZINC001129482562	938435014	/nfs/dbraw/zinc/43/50/14/938435014.db2.gz	ZMKDTLLWTMILJW-QRQLOZEOSA-N	1	0	369.469	1.719	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)COC2CCC(C)CC2)[C@@H](n2ccnn2)C1	ZINC001129484946	938440398	/nfs/dbraw/zinc/44/03/98/938440398.db2.gz	QKMPFFNEWILUGI-HIEASXQVSA-N	1	0	359.474	1.238	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2nccnc2C(N)=O)C1	ZINC001086623071	938447782	/nfs/dbraw/zinc/44/77/82/938447782.db2.gz	JAPSETIIVVXRJH-JKSUJKDBSA-N	1	0	365.437	1.349	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CCN(C(N)=O)CC2)C1	ZINC001086623077	938447850	/nfs/dbraw/zinc/44/78/50/938447850.db2.gz	JGPUKFHRDUAJMT-ZWKOTPCHSA-N	1	0	356.470	1.547	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CCN(C(N)=O)CC2)C1	ZINC001086623142	938448628	/nfs/dbraw/zinc/44/86/28/938448628.db2.gz	MMALZJMPFZNULU-RBUKOAKNSA-N	1	0	370.497	1.937	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CCc2ccco2)C[C@@H]1n1ccnn1	ZINC001129556345	938452848	/nfs/dbraw/zinc/45/28/48/938452848.db2.gz	MVUTXGINOYWPNN-SJORKVTESA-N	1	0	359.430	1.048	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCn2cccn2)C[C@@H]1n1ccnn1	ZINC001129589388	938465623	/nfs/dbraw/zinc/46/56/23/938465623.db2.gz	HKRIKTYCLJRHAC-BBWFWOEESA-N	1	0	357.462	1.261	20	30		FDEDRO
CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H](n2ccnn2)C1	ZINC001129617551	938469836	/nfs/dbraw/zinc/46/98/36/938469836.db2.gz	BUVQLAGDQJTOLF-OLMNPRSZSA-N	1	0	368.441	1.116	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccnc(F)c2)C[C@@H]1n1ccnn1	ZINC001129656769	938483256	/nfs/dbraw/zinc/48/32/56/938483256.db2.gz	UUDGTCSDMAYPSB-BMFZPTHFSA-N	1	0	358.421	1.822	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CC2=CCCCC2)C[C@@H]1n1ccnn1	ZINC001129677912	938491172	/nfs/dbraw/zinc/49/11/72/938491172.db2.gz	QSZJGUJFPCTORK-MSOLQXFVSA-N	1	0	357.458	1.160	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cncnc2)C[C@@H]1n1ccnn1	ZINC001129761943	938503034	/nfs/dbraw/zinc/50/30/34/938503034.db2.gz	FQXMHCIHWUZNGZ-SJORKVTESA-N	1	0	355.446	1.470	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1n1ccnn1	ZINC001129791952	938508330	/nfs/dbraw/zinc/50/83/30/938508330.db2.gz	SINBGVKICBDAGJ-CVEARBPZSA-N	1	0	351.495	1.751	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CN(CC)CCO2)C1	ZINC001086625217	938511358	/nfs/dbraw/zinc/51/13/58/938511358.db2.gz	PEDPNIMNUFDDRP-ZCNNSNEGSA-N	1	0	357.498	1.867	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(C)cc2)[C@@H](n2ccnn2)C1	ZINC001129788481	938516481	/nfs/dbraw/zinc/51/64/81/938516481.db2.gz	JXOXGOUZVJYILC-WSTZPKSXSA-N	1	0	369.469	1.455	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H]([NH2+]CCCCC(F)(F)F)[C@@H](n2ccnn2)C1	ZINC001129816873	938521029	/nfs/dbraw/zinc/52/10/29/938521029.db2.gz	LSDYLGOJAFFLAR-CABCVRRESA-N	1	0	369.391	1.766	20	30		FDEDRO
Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1n1ccnn1	ZINC001129822191	938521812	/nfs/dbraw/zinc/52/18/12/938521812.db2.gz	JIAPMDADSJDBPN-MSOLQXFVSA-N	1	0	366.469	1.573	20	30		FDEDRO
Cc1ccccc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1n1ccnn1	ZINC001129822386	938522175	/nfs/dbraw/zinc/52/21/75/938522175.db2.gz	TWHCEUBZKTVWLA-MOPGFXCFSA-N	1	0	351.454	1.788	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H]([NH2+]CCC2CCOCC2)[C@@H](n2ccnn2)C1	ZINC001129822582	938522302	/nfs/dbraw/zinc/52/23/02/938522302.db2.gz	YENITPDFMXBFPG-MSOLQXFVSA-N	1	0	359.474	1.096	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CCCCCCC)[C@@H](n2ccnn2)C1	ZINC001129829731	938523756	/nfs/dbraw/zinc/52/37/56/938523756.db2.gz	NPNIXPDALMRGBT-KURKYZTESA-N	1	0	361.490	1.628	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1C[C@H]1c1ccc(OC)cc1	ZINC001129849811	938526609	/nfs/dbraw/zinc/52/66/09/938526609.db2.gz	VUHYTDNYXYWMKM-ZVZYQTTQSA-N	1	0	357.454	1.033	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2ccnc2CC)C[C@@H]1n1ccnn1	ZINC001129855970	938528623	/nfs/dbraw/zinc/52/86/23/938528623.db2.gz	SSXZTZIEGGAZSG-BBWFWOEESA-N	1	0	369.473	1.053	20	30		FDEDRO
C=C(Br)C[NH2+]CCNC(=O)[C@@H]1OCCO[C@@H]1c1ccccc1	ZINC001129856416	938529027	/nfs/dbraw/zinc/52/90/27/938529027.db2.gz	QIKPFHHVDNTQNW-HUUCEWRRSA-N	1	0	369.259	1.758	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)s1	ZINC001129856021	938529045	/nfs/dbraw/zinc/52/90/45/938529045.db2.gz	LZFKMUBDYYNQBU-QZTJIDSGSA-N	1	0	371.462	1.982	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]C[C@H](OCC)C2CC2)[C@@H](n2ccnn2)C1	ZINC001129834342	938533781	/nfs/dbraw/zinc/53/37/81/938533781.db2.gz	VMQCEIFVQRVUSY-SQNIBIBYSA-N	1	0	359.474	1.238	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C2(c3ccccn3)CC2)C[C@@H]1n1ccnn1	ZINC001129838575	938535576	/nfs/dbraw/zinc/53/55/76/938535576.db2.gz	YBHQWASFURLKPQ-CVEARBPZSA-N	1	0	352.442	1.323	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H]([NH2+]CCn2nc(C)cc2C)[C@@H](n2ccnn2)C1	ZINC001129878736	938536053	/nfs/dbraw/zinc/53/60/53/938536053.db2.gz	CDHZGFLTQGJCJK-MSOLQXFVSA-N	1	0	371.489	1.489	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC(F)(F)C2)C[C@@H]1n1ccnn1	ZINC001129887794	938540491	/nfs/dbraw/zinc/54/04/91/938540491.db2.gz	RGYYNJXAPZMKKK-ZNMIVQPWSA-N	1	0	351.401	1.468	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)cc2F)C[C@@H]1n1ccnn1	ZINC001129892095	938542681	/nfs/dbraw/zinc/54/26/81/938542681.db2.gz	HJXGQFQIFRKAQX-MSOLQXFVSA-N	1	0	370.432	1.162	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccoc2C(F)(F)F)C[C@@H]1n1ccnn1	ZINC001129871392	938544856	/nfs/dbraw/zinc/54/48/56/938544856.db2.gz	IOYFELZPDIALRE-OLZOCXBDSA-N	1	0	367.331	1.569	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccnn2C)[C@@H](n2ccnn2)C1	ZINC001129874588	938545888	/nfs/dbraw/zinc/54/58/88/938545888.db2.gz	KKROBLWZIUZBJQ-CVEARBPZSA-N	1	0	357.462	1.156	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCOC2)[C@@H](n2ccnn2)C1	ZINC001129876080	938546545	/nfs/dbraw/zinc/54/65/45/938546545.db2.gz	ADXOQQGYHWJYCG-BBWFWOEESA-N	1	0	361.490	1.649	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(C)c(Cl)c2)C[C@@H]1n1ccnn1	ZINC001129906925	938549040	/nfs/dbraw/zinc/54/90/40/938549040.db2.gz	HEYCRATZHQTDAZ-MSOLQXFVSA-N	1	0	371.872	1.847	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2cnccc2OC)C[C@@H]1n1ccnn1	ZINC001129906916	938549103	/nfs/dbraw/zinc/54/91/03/938549103.db2.gz	GXWDPIBZXFMHKY-SJORKVTESA-N	1	0	370.457	1.232	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)COC/C=C/c2ccccc2)C[C@@H]1n1ccnn1	ZINC001129910105	938549757	/nfs/dbraw/zinc/54/97/57/938549757.db2.gz	DBVWYSAKEGOMKL-APTSRADASA-N	1	0	367.453	1.536	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCn3nccc32)C[C@@H]1n1ccnn1	ZINC001129914822	938552840	/nfs/dbraw/zinc/55/28/40/938552840.db2.gz	IXIKZFZOSGJBIB-NUJGCVRESA-N	1	0	369.473	1.360	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ncc(F)cc2F)C[C@@H]1n1ccnn1	ZINC001129917264	938554133	/nfs/dbraw/zinc/55/41/33/938554133.db2.gz	OWDGLKQUKWCMQP-CABCVRRESA-N	1	0	362.384	1.573	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccncc2CC)C[C@@H]1n1ccnn1	ZINC001129917541	938554481	/nfs/dbraw/zinc/55/44/81/938554481.db2.gz	VQQCXIWWZFUJMV-MSOLQXFVSA-N	1	0	354.458	1.857	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]([NH2+]C[C@@H](C)CC)[C@@H](n2ccnn2)C1	ZINC001129894550	938555726	/nfs/dbraw/zinc/55/57/26/938555726.db2.gz	JIDHPZMGXXNELG-JZXOWHBKSA-N	1	0	356.474	1.967	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCCc2ncc(C)o2)C[C@@H]1n1ccnn1	ZINC001129894919	938556271	/nfs/dbraw/zinc/55/62/71/938556271.db2.gz	XYDZFWMFPZKRMX-CVEARBPZSA-N	1	0	358.446	1.515	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(C)c(OC)c2)C[C@@H]1n1ccnn1	ZINC001129932252	938562321	/nfs/dbraw/zinc/56/23/21/938562321.db2.gz	SSJRNAPFBGUWLP-MSOLQXFVSA-N	1	0	369.469	1.755	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cncc(CC)c2)C[C@@H]1n1ccnn1	ZINC001129932120	938562371	/nfs/dbraw/zinc/56/23/71/938562371.db2.gz	MPRFMGRPKFVKJL-MSOLQXFVSA-N	1	0	354.458	1.857	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2nc(C)cs2)C[C@@H]1n1ccnn1	ZINC001129932470	938562661	/nfs/dbraw/zinc/56/26/61/938562661.db2.gz	ZQFZTISRFFGFRH-CABCVRRESA-N	1	0	360.487	1.593	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ncc3ccccn32)C[C@@H]1n1ccnn1	ZINC001129936873	938564537	/nfs/dbraw/zinc/56/45/37/938564537.db2.gz	UWDZWHXPZSWCMM-SJORKVTESA-N	1	0	365.441	1.547	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)(C)C)n[nH]2)C[C@@H]1n1ccnn1	ZINC001129918934	938567504	/nfs/dbraw/zinc/56/75/04/938567504.db2.gz	MXEFCALAHLUUFD-CVEARBPZSA-N	1	0	371.489	1.920	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@@H]1n1ccnn1	ZINC001129918807	938567557	/nfs/dbraw/zinc/56/75/57/938567557.db2.gz	JRTBWUKODSMMGV-CVEARBPZSA-N	1	0	355.446	1.111	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)nnc2CC)C[C@@H]1n1ccnn1	ZINC001129921212	938568642	/nfs/dbraw/zinc/56/86/42/938568642.db2.gz	VRUBEXICNZWQED-SJORKVTESA-N	1	0	355.446	1.170	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@]23CCC[C@H]2OCC3)C[C@@H]1n1ccnn1	ZINC001129930413	938572818	/nfs/dbraw/zinc/57/28/18/938572818.db2.gz	GPNMZIFZXVDXTN-NTDBWNAOSA-N	1	0	359.474	1.545	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3cc(C)ccc3[nH]2)C[C@@H]1n1ccnn1	ZINC001129951938	938574984	/nfs/dbraw/zinc/57/49/84/938574984.db2.gz	CCSAOMQILVXSFW-MOPGFXCFSA-N	1	0	362.437	1.746	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(C(N)=O)nc2)C1	ZINC001086626450	938575834	/nfs/dbraw/zinc/57/58/34/938575834.db2.gz	OHIQFEZKCJRTSW-PKOBYXMFSA-N	1	0	364.449	1.954	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H]([NH2+]CCCCOC)[C@@H](n2ccnn2)C1	ZINC001129963707	938579281	/nfs/dbraw/zinc/57/92/81/938579281.db2.gz	BFBMRPTWGWZSFA-MSOLQXFVSA-N	1	0	361.490	1.630	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCC2(F)F)C[C@@H]1n1ccnn1	ZINC001129945432	938580742	/nfs/dbraw/zinc/58/07/42/938580742.db2.gz	MUZSMMYXUUXSDV-KFWWJZLASA-N	1	0	351.401	1.468	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H]([NH2+]CCOC2CCC2)[C@@H](n2ccnn2)C1	ZINC001129977824	938593171	/nfs/dbraw/zinc/59/31/71/938593171.db2.gz	HHWQCLNWFNTSDA-JQHSSLGASA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C2(c3cc(C)no3)CC2)C[C@@H]1n1ccnn1	ZINC001129977992	938593364	/nfs/dbraw/zinc/59/33/64/938593364.db2.gz	NGTYKNKZPFTBTO-CVEARBPZSA-N	1	0	370.457	1.614	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(OC)cn2)C[C@@H]1n1ccnn1	ZINC001129978099	938593676	/nfs/dbraw/zinc/59/36/76/938593676.db2.gz	QKIAQDXTLSQULU-MSOLQXFVSA-N	1	0	370.457	1.232	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]([NH2+]C[C@@H]3CCOC3)[C@@H](n3ccnn3)C2)CCC1	ZINC001129994214	938602939	/nfs/dbraw/zinc/60/29/39/938602939.db2.gz	BPIQRRRDCVHLQQ-BBWFWOEESA-N	1	0	359.474	1.403	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H]([NH2+]CCCCOC)[C@@H](n3ccnn3)C2)CC1	ZINC001129999101	938606470	/nfs/dbraw/zinc/60/64/70/938606470.db2.gz	KRPMEQYIERPTJF-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(Cl)c2F)C[C@@H]1n1ccnn1	ZINC001129988424	938611506	/nfs/dbraw/zinc/61/15/06/938611506.db2.gz	QDXYVEXPCGHWDV-CABCVRRESA-N	1	0	361.808	1.749	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)cccc2Cl)C[C@@H]1n1ccnn1	ZINC001129990157	938612554	/nfs/dbraw/zinc/61/25/54/938612554.db2.gz	OUXFFDWINZQSFK-CVEARBPZSA-N	1	0	357.845	1.919	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2ccccc2C)C[C@@H]1n1ccnn1	ZINC001130023901	938618514	/nfs/dbraw/zinc/61/85/14/938618514.db2.gz	DASNPPKNVGNLMS-MOPGFXCFSA-N	1	0	351.454	1.584	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccn(C(C)C)n2)C[C@@H]1n1ccnn1	ZINC001130022909	938621027	/nfs/dbraw/zinc/62/10/27/938621027.db2.gz	QJZAAGHZIYXFSI-SJORKVTESA-N	1	0	357.462	1.677	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccn(CC)n2)C[C@@H]1n1ccnn1	ZINC001130028125	938630241	/nfs/dbraw/zinc/63/02/41/938630241.db2.gz	IMQGCKHEEQBUOS-OIISXLGYSA-N	1	0	357.462	1.505	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2oc(C(C)C)nc2C)C[C@@H]1n1ccnn1	ZINC001130033111	938633698	/nfs/dbraw/zinc/63/36/98/938633698.db2.gz	UOVWOSKBCAULEP-CABCVRRESA-N	1	0	356.430	1.377	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2ccccc2COC)C[C@@H]1n1ccnn1	ZINC001130037998	938636147	/nfs/dbraw/zinc/63/61/47/938636147.db2.gz	GZUSKIQUHGHKSB-MOPGFXCFSA-N	1	0	369.469	1.585	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCOc3ccccc32)C[C@@H]1n1ccnn1	ZINC001130044190	938643729	/nfs/dbraw/zinc/64/37/29/938643729.db2.gz	VJIYEVKEYNDVJU-KSZLIROESA-N	1	0	367.453	1.762	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2coc(COC)n2)C[C@@H]1n1ccnn1	ZINC001130062507	938650737	/nfs/dbraw/zinc/65/07/37/938650737.db2.gz	ISPFMTZHWSQBCK-HIFRSBDPSA-N	1	0	360.418	1.034	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cccc(OC)n2)C[C@@H]1n1ccnn1	ZINC001130066541	938654952	/nfs/dbraw/zinc/65/49/52/938654952.db2.gz	CZMZJWULJKMPEK-CVEARBPZSA-N	1	0	356.430	1.303	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(c3ccccc3F)CC2)C[C@@H]1n1ccnn1	ZINC001130067078	938655620	/nfs/dbraw/zinc/65/56/20/938655620.db2.gz	SKVRWNDFTVBUST-MSOLQXFVSA-N	1	0	367.428	1.514	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cnn(CC)c2)C[C@@H]1n1ccnn1	ZINC001130079326	938672078	/nfs/dbraw/zinc/67/20/78/938672078.db2.gz	FKAHKZMILHFYMV-JQHSSLGASA-N	1	0	371.489	1.433	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cccnc2)C[C@@H]1n1ccnn1	ZINC001130088780	938675168	/nfs/dbraw/zinc/67/51/68/938675168.db2.gz	INRVQEFQOMSVFN-JQHSSLGASA-N	1	0	370.457	1.021	20	30		FDEDRO
CC[C@H](CC(C)C)C(=O)N1C[C@@H]([NH2+]CC#CCOC)[C@@H](n2ccnn2)C1	ZINC001130089088	938675538	/nfs/dbraw/zinc/67/55/38/938675538.db2.gz	XRYBNVXLLONWOV-KURKYZTESA-N	1	0	361.490	1.342	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ncccc2Cl)C[C@@H]1n1ccnn1	ZINC001130094433	938679121	/nfs/dbraw/zinc/67/91/21/938679121.db2.gz	KYLCFZOUKNDEQU-CABCVRRESA-N	1	0	360.849	1.948	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(Cl)no2)C[C@@H]1n1ccnn1	ZINC001130096679	938681071	/nfs/dbraw/zinc/68/10/71/938681071.db2.gz	OYDLABYWMPKGJL-NEPJUHHUSA-N	1	0	350.810	1.541	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)cc2)C[C@@H]1n1ccnn1	ZINC001130102019	938681196	/nfs/dbraw/zinc/68/11/96/938681196.db2.gz	CNSGRRJGBLCNTM-MSOLQXFVSA-N	1	0	354.458	1.576	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc3c(c2)COC3)C[C@@H]1n1ccnn1	ZINC001130105196	938685986	/nfs/dbraw/zinc/68/59/86/938685986.db2.gz	PPELXXROTQVTQJ-MOPGFXCFSA-N	1	0	367.453	1.469	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]([NH2+]CC(=C)C)[C@@H](n3ccnn3)C2)CCOCC1	ZINC001130110052	938688945	/nfs/dbraw/zinc/68/89/45/938688945.db2.gz	RHEZDTLTCGRLRW-SJORKVTESA-N	1	0	359.474	1.569	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc3ccccc3[nH]2)C[C@@H]1n1ccnn1	ZINC001130114899	938693985	/nfs/dbraw/zinc/69/39/85/938693985.db2.gz	ITZXOLOOZAPHPA-MSOLQXFVSA-N	1	0	350.426	1.991	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(C)nc2)C[C@@H]1n1ccnn1	ZINC001130125276	938695953	/nfs/dbraw/zinc/69/59/53/938695953.db2.gz	FRSIVFRBJGXEGZ-MSOLQXFVSA-N	1	0	354.458	1.532	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCOc2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001130125334	938696218	/nfs/dbraw/zinc/69/62/18/938696218.db2.gz	HWQHAAQOPQSMQR-MOPGFXCFSA-N	1	0	367.453	1.420	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c3ncccc23)C[C@@H]1n1ccnn1	ZINC001130129371	938698540	/nfs/dbraw/zinc/69/85/40/938698540.db2.gz	DSQFOSMSQKGYII-SJORKVTESA-N	1	0	365.441	1.776	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cccc(F)c2)C[C@@H]1n1ccnn1	ZINC001130129329	938698559	/nfs/dbraw/zinc/69/85/59/938698559.db2.gz	CFFHAFGYRWRTIZ-OLMNPRSZSA-N	1	0	355.417	1.586	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cn2ccnc2C)C[C@@H]1n1ccnn1	ZINC001130123162	938705335	/nfs/dbraw/zinc/70/53/35/938705335.db2.gz	JNJSLKMXGRZJSJ-MSOLQXFVSA-N	1	0	371.489	1.571	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COc2cc(C)cc(C)c2)C[C@@H]1n1ccnn1	ZINC001130123264	938705374	/nfs/dbraw/zinc/70/53/74/938705374.db2.gz	LPEWCCXPIVTGLP-MOPGFXCFSA-N	1	0	367.453	1.339	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)c2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001130146612	938706690	/nfs/dbraw/zinc/70/66/90/938706690.db2.gz	UVNMVJYGIVLHPS-OTWHNJEPSA-N	1	0	369.444	1.976	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130132971	938708006	/nfs/dbraw/zinc/70/80/06/938708006.db2.gz	YPECWZSVCXOFTI-UHOSZYNNSA-N	1	0	351.454	1.522	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC3CCC2CC3)C[C@@H]1n1ccnn1	ZINC001130143248	938714528	/nfs/dbraw/zinc/71/45/28/938714528.db2.gz	QDGZZTDXDHLZGJ-DUBPFDJUSA-N	1	0	371.485	1.096	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)c3c2CCC3)C[C@@H]1n1ccnn1	ZINC001130143545	938714894	/nfs/dbraw/zinc/71/48/94/938714894.db2.gz	YVWAVTZSYPORST-UXHICEINSA-N	1	0	363.465	1.754	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CCCOC(C)C)[C@@H](n2ccnn2)C1	ZINC001130150806	938715401	/nfs/dbraw/zinc/71/54/01/938715401.db2.gz	AHVRCAXZKFZPIL-ZACQAIPSSA-N	1	0	365.478	1.026	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2ccc(C)cc2)[C@@H](n2ccnn2)C1	ZINC001130151081	938715632	/nfs/dbraw/zinc/71/56/32/938715632.db2.gz	IDHGVPRATGOMSY-QRQLOZEOSA-N	1	0	369.469	1.719	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CC2CCCCC2)[C@@H](n2ccnn2)C1	ZINC001130151625	938716243	/nfs/dbraw/zinc/71/62/43/938716243.db2.gz	ZZCJJOIEVCSWJS-NXHRZFHOSA-N	1	0	361.490	1.791	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)n(C(C)C)n2)C[C@@H]1n1ccnn1	ZINC001130158606	938720125	/nfs/dbraw/zinc/72/01/25/938720125.db2.gz	NLLSWEDYKKTDGU-SJORKVTESA-N	1	0	355.446	1.043	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)C2CCOCC2)C[C@@H]1n1ccnn1	ZINC001130159016	938720493	/nfs/dbraw/zinc/72/04/93/938720493.db2.gz	YBLZPWHWZTZVJD-NXHRZFHOSA-N	1	0	361.490	1.649	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](OCC)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130148556	938722766	/nfs/dbraw/zinc/72/27/66/938722766.db2.gz	WHYDAMZBIWUMOI-QYZOEREBSA-N	1	0	367.453	1.421	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccccn2)[nH]1	ZINC001130181429	938728440	/nfs/dbraw/zinc/72/84/40/938728440.db2.gz	HIPDCMSJLMXBMT-HOCLYGCPSA-N	1	0	370.457	1.558	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccs2)[nH]1	ZINC001130181733	938728851	/nfs/dbraw/zinc/72/88/51/938728851.db2.gz	SOHUFBRHEDZAJB-STQMWFEESA-N	1	0	361.471	1.834	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)CC)[nH]1	ZINC001130186849	938732755	/nfs/dbraw/zinc/73/27/55/938732755.db2.gz	OFHOGTWFPOFNBQ-KKUMJFAQSA-N	1	0	365.478	1.132	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)COCCC)[nH]1	ZINC001130190688	938735676	/nfs/dbraw/zinc/73/56/76/938735676.db2.gz	KNSKKECCQOXXFN-GJZGRUSLSA-N	1	0	365.478	1.276	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC=CCC2)[nH]1	ZINC001130182952	938741935	/nfs/dbraw/zinc/74/19/35/938741935.db2.gz	IHMYITOCNIGGBD-JYJNAYRXSA-N	1	0	357.458	1.263	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC2(F)F)[nH]1	ZINC001130207589	938746725	/nfs/dbraw/zinc/74/67/25/938746725.db2.gz	IFGIASFCFNNGIC-AVGNSLFASA-N	1	0	369.416	1.504	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2C[C@@H]2C(F)F)[nH]1	ZINC001130207786	938746931	/nfs/dbraw/zinc/74/69/31/938746931.db2.gz	PLFGDNOLVFPBAY-CYDGBPFRSA-N	1	0	369.416	1.360	20	30		FDEDRO
C#CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCC=C)[nH]1	ZINC001130209538	938747595	/nfs/dbraw/zinc/74/75/95/938747595.db2.gz	GMHOLWHVRXRPKT-HOTGVXAUSA-N	1	0	359.474	1.653	20	30		FDEDRO
CC[C@H](F)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C#CC2CC2)[nH]1	ZINC001130212808	938749518	/nfs/dbraw/zinc/74/95/18/938749518.db2.gz	DXSLZHMVZOJRGA-KKUMJFAQSA-N	1	0	363.437	1.045	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@]2(C)CC=CCC2)[nH]1	ZINC001130212836	938749641	/nfs/dbraw/zinc/74/96/41/938749641.db2.gz	GPVSDWYWRLKDGW-FTRWYGJKSA-N	1	0	371.485	1.653	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(CC=C)CC=C)[nH]1	ZINC001130213121	938750416	/nfs/dbraw/zinc/75/04/16/938750416.db2.gz	UVNUYWXACZRVRZ-IRXDYDNUSA-N	1	0	371.485	1.675	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)OCC(C)C)[nH]1	ZINC001130200331	938754001	/nfs/dbraw/zinc/75/40/01/938754001.db2.gz	IISMJCQEMNGSSK-KKUMJFAQSA-N	1	0	365.478	1.130	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C=C2CCC2)n1	ZINC001130200503	938754211	/nfs/dbraw/zinc/75/42/11/938754211.db2.gz	MQTNOEGKNCJEMT-KBPBESRZSA-N	1	0	365.865	1.746	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC2(C)C)[nH]1	ZINC001130200842	938754374	/nfs/dbraw/zinc/75/43/74/938754374.db2.gz	YDQGDEBXTMPKFH-KKUMJFAQSA-N	1	0	361.490	1.895	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)n2cccc2)[nH]1	ZINC001130200686	938754431	/nfs/dbraw/zinc/75/44/31/938754431.db2.gz	RXTUMWYLAJEGRS-ILXRZTDVSA-N	1	0	358.446	1.132	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)COC)[nH]1	ZINC001130202617	938755090	/nfs/dbraw/zinc/75/50/90/938755090.db2.gz	FQNGADJKNRWDEB-ILXRZTDVSA-N	1	0	365.478	1.132	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)C2CCC2)[nH]1	ZINC001130220682	938756128	/nfs/dbraw/zinc/75/61/28/938756128.db2.gz	IPLIRLHGEULXBU-KBMXLJTQSA-N	1	0	361.490	1.895	20	30		FDEDRO
C=CC(C)(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@@H](C)COC)[nH]1	ZINC001130227828	938762111	/nfs/dbraw/zinc/76/21/11/938762111.db2.gz	QZNYQRROOJCIBQ-IHRRRGAJSA-N	1	0	365.478	1.130	20	30		FDEDRO
C=CCC1(C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CCF)[nH]2)CCC1	ZINC001130240661	938768745	/nfs/dbraw/zinc/76/87/45/938768745.db2.gz	YGVUGFBVWFMMPY-KBPBESRZSA-N	1	0	365.453	1.599	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2C2CCC2)[nH]1	ZINC001130242116	938769171	/nfs/dbraw/zinc/76/91/71/938769171.db2.gz	GKDWUSRRHYWLRY-JONQDZQNSA-N	1	0	359.474	1.505	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cccn2C(C)C)n1	ZINC001130249036	938773289	/nfs/dbraw/zinc/77/32/89/938773289.db2.gz	GOIWUPWUYUUUJT-HOCLYGCPSA-N	1	0	370.457	1.212	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](CC)SC)CC1	ZINC001130282679	938779949	/nfs/dbraw/zinc/77/99/49/938779949.db2.gz	YHVFPCHXCPINIT-RYRKJORJSA-N	1	0	365.543	1.627	20	30		FDEDRO
N#Cc1ccccc1C[NH2+]CCNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	ZINC001130261882	938781275	/nfs/dbraw/zinc/78/12/75/938781275.db2.gz	NODQTWJNPOVCEQ-KGLIPLIRSA-N	1	0	357.332	1.110	20	30		FDEDRO
C=CCC[C@@H](C)[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCOC)CC1	ZINC001130266680	938782934	/nfs/dbraw/zinc/78/29/34/938782934.db2.gz	LEWAETJMFJGGSA-MDYRTPRTSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCOCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(C)C)CC1	ZINC001130271554	938785402	/nfs/dbraw/zinc/78/54/02/938785402.db2.gz	GIBLPAUETXWMSL-AEFFLSMTSA-N	1	0	351.491	1.320	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)/C=C\c2ccco2)CC1	ZINC001130271640	938785419	/nfs/dbraw/zinc/78/54/19/938785419.db2.gz	LEMALFSRDYTJQO-GKPQXDKRSA-N	1	0	369.465	1.792	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@H](CC)OC)CC1	ZINC001130276715	938787834	/nfs/dbraw/zinc/78/78/34/938787834.db2.gz	MCJLUVXPVDLRMB-QKLQHJQFSA-N	1	0	365.518	1.853	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)OCC(C)C)CC1	ZINC001130277030	938788313	/nfs/dbraw/zinc/78/83/13/938788313.db2.gz	ZFDNPDMWWYPHQP-SUMDDJOVSA-N	1	0	363.502	1.156	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)/C=C\c2ccc[nH]2)CC1	ZINC001130285320	938790140	/nfs/dbraw/zinc/79/01/40/938790140.db2.gz	DUSDUZYQSYPZAG-PGTZJJDYSA-N	1	0	354.454	1.137	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COC(C)(C)C)CC1	ZINC001130286024	938790864	/nfs/dbraw/zinc/79/08/64/938790864.db2.gz	UGBHYPZCMYLIOX-QAPCUYQASA-N	1	0	351.491	1.463	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[C@H](C)OC)CC1	ZINC001130286142	938791102	/nfs/dbraw/zinc/79/11/02/938791102.db2.gz	ZFCFHCJSRCDHNW-VPWXQRGCSA-N	1	0	363.502	1.300	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCC2CC2)CC1	ZINC001130291124	938795651	/nfs/dbraw/zinc/79/56/51/938795651.db2.gz	YFGKPIIHLKRVDF-NQIIRXRSSA-N	1	0	359.514	1.921	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2(CCOC)CC2)CC1	ZINC001130291027	938795659	/nfs/dbraw/zinc/79/56/59/938795659.db2.gz	USOVGLDGZJBMDD-AEFFLSMTSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](CCC)OC)CC1	ZINC001130295793	938798385	/nfs/dbraw/zinc/79/83/85/938798385.db2.gz	SMMICBXDUPIBQS-RYRKJORJSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2ccnnc2)CC1	ZINC001130302373	938800924	/nfs/dbraw/zinc/80/09/24/938800924.db2.gz	XCCKKXXOOXHRHZ-MJGOQNOKSA-N	1	0	371.485	1.532	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCO)CC1	ZINC001130304954	938803127	/nfs/dbraw/zinc/80/31/27/938803127.db2.gz	GMPXZBIEXPJFNA-AEFFLSMTSA-N	1	0	365.518	1.447	20	30		FDEDRO
C#CCN1CCN(C(=O)CN(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)CC1	ZINC000805766522	938826939	/nfs/dbraw/zinc/82/69/39/938826939.db2.gz	LQVRCXFKCWXEQQ-ZWKOTPCHSA-N	1	0	373.522	1.265	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]2C2CC2)C1	ZINC001130430874	938846236	/nfs/dbraw/zinc/84/62/36/938846236.db2.gz	KJOPODHZXJVCNR-RYQLBKOJSA-N	1	0	356.470	1.511	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccccn2)C[C@H]1c1cn(C)cn1	ZINC001130478611	938868766	/nfs/dbraw/zinc/86/87/66/938868766.db2.gz	ACTQZZHTRMHXCG-MAUKXSAKSA-N	1	0	355.442	1.216	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC(C)C)C[C@H]1c1cn(C)cn1	ZINC001130480534	938875681	/nfs/dbraw/zinc/87/56/81/938875681.db2.gz	SEXZTAHTCWDRKR-HLLBOEOZSA-N	1	0	361.490	1.041	20	30		FDEDRO
CCOCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001130485658	938878438	/nfs/dbraw/zinc/87/84/38/938878438.db2.gz	KTKDRANYCDPTRV-PKOBYXMFSA-N	1	0	367.453	1.412	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CCSC)C[C@H]1c1cn(C)cn1	ZINC001130490668	938881000	/nfs/dbraw/zinc/88/10/00/938881000.db2.gz	OEADDMYTZGTVMI-GOEBONIOSA-N	1	0	352.504	1.260	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cccc(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130505923	938887043	/nfs/dbraw/zinc/88/70/43/938887043.db2.gz	OOJZNUFSMIRNCZ-QFBILLFUSA-N	1	0	369.469	1.524	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1c1cn(C)cn1	ZINC001130509640	938888604	/nfs/dbraw/zinc/88/86/04/938888604.db2.gz	KJZZYQIYDBEXLQ-SOLBZPMBSA-N	1	0	371.489	1.341	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOCC2CCC2)C1	ZINC001130532024	938900733	/nfs/dbraw/zinc/90/07/33/938900733.db2.gz	QDBLFUFTXBZIDF-UWWQBHOKSA-N	1	0	359.474	1.280	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccccn2)C1	ZINC001130583486	939883574	/nfs/dbraw/zinc/88/35/74/939883574.db2.gz	BMDCJVFFTCXTAW-PKOBYXMFSA-N	1	0	351.454	1.559	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)noc2CCC)C[C@H]1c1cn(C)cn1	ZINC001130590173	939896328	/nfs/dbraw/zinc/89/63/28/939896328.db2.gz	CTLWRUIUPIGQGC-DOTOQJQBSA-N	1	0	369.469	1.890	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3n[nH]cc32)C[C@H]1c1cn(C)cn1	ZINC001130590260	939896462	/nfs/dbraw/zinc/89/64/62/939896462.db2.gz	HDRIXKKXEZWEPC-SIXWZSSISA-N	1	0	368.485	1.723	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccncc2C)C[C@H]1c1cn(C)cn1	ZINC001130590607	939897937	/nfs/dbraw/zinc/89/79/37/939897937.db2.gz	YTTKTNWTBLVOJN-PKOBYXMFSA-N	1	0	351.454	1.274	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)CCC3)C[C@H]1c1cn(C)cn1	ZINC001130593192	939900255	/nfs/dbraw/zinc/90/02/55/939900255.db2.gz	UWWLNBWADCGCGT-DOTOQJQBSA-N	1	0	368.485	1.727	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cn2ccc(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130599399	939904916	/nfs/dbraw/zinc/90/49/16/939904916.db2.gz	RGQHWVRQNFGMGB-HHXXYDBFSA-N	1	0	368.485	1.169	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2cn(C)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130610532	939907949	/nfs/dbraw/zinc/90/79/49/939907949.db2.gz	LGFCUXLOAUOZGP-PKOBYXMFSA-N	1	0	370.501	1.555	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cncc(Cl)c2C)C[C@H]1c1cn(C)cn1	ZINC001130610325	939908047	/nfs/dbraw/zinc/90/80/47/939908047.db2.gz	IRQISAIEDHGGNG-MAUKXSAKSA-N	1	0	371.872	1.998	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCC)C2)CCOCC1	ZINC001130610898	939908316	/nfs/dbraw/zinc/90/83/16/939908316.db2.gz	VAMOTEQQZDKPBI-FUHWJXTLSA-N	1	0	358.486	1.534	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1c1cn(C)cn1	ZINC001130612073	939910149	/nfs/dbraw/zinc/91/01/49/939910149.db2.gz	PRMABEDWFBCVKB-UKPHBRMFSA-N	1	0	370.457	1.468	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](OCC)C(=C)C)C[C@H]1c1cn(C)cn1	ZINC001130603065	939915001	/nfs/dbraw/zinc/91/50/01/939915001.db2.gz	WYEODGLWHORWQP-QXAKKESOSA-N	1	0	358.486	1.699	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1cn(C)cn1	ZINC001130628419	939922657	/nfs/dbraw/zinc/92/26/57/939922657.db2.gz	QMJZNOSAZDWFSJ-XDKCKUNGSA-N	1	0	370.497	1.694	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)onc2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130627005	939924566	/nfs/dbraw/zinc/92/45/66/939924566.db2.gz	WPPXIEJBUTUVCV-DOTOQJQBSA-N	1	0	367.453	1.815	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(Cl)cn2C)C[C@H]1c1cn(C)cn1	ZINC001130627167	939924686	/nfs/dbraw/zinc/92/46/86/939924686.db2.gz	YIKCYLPTFGNWPM-GOEBONIOSA-N	1	0	359.861	1.633	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(F)ccc2OC)C[C@H]1c1cn(C)cn1	ZINC001130634954	939937089	/nfs/dbraw/zinc/93/70/89/939937089.db2.gz	BKVDUFVQLFDUJP-FUHWJXTLSA-N	1	0	370.428	1.789	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1C#N	ZINC000806503841	939947352	/nfs/dbraw/zinc/94/73/52/939947352.db2.gz	UULPISQHDSKOPK-HOTGVXAUSA-N	1	0	358.442	1.172	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C/C=C(\C)C=C)C[C@H]1c1cn(C)cn1	ZINC001130644088	939952536	/nfs/dbraw/zinc/95/25/36/939952536.db2.gz	HDRNPHPYQHVBLC-NAGXSDPTSA-N	1	0	371.485	1.129	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccnc(OCC)c2)C[C@H]1c1cn(C)cn1	ZINC001130672141	939971248	/nfs/dbraw/zinc/97/12/48/939971248.db2.gz	IXSCFGWBZJCWLT-FUHWJXTLSA-N	1	0	369.469	1.988	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)C(C)(F)F)C[C@H]1c1cn(C)cn1	ZINC001130675121	939972951	/nfs/dbraw/zinc/97/29/51/939972951.db2.gz	NJEZJNWYKYBLRT-OFQRWUPVSA-N	1	0	368.428	1.245	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@@H](CC)C(N)=O)C1	ZINC001130685360	939975360	/nfs/dbraw/zinc/97/53/60/939975360.db2.gz	PVSBFCUZNAOCNM-OFQRWUPVSA-N	1	0	361.490	1.170	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COCc2ccccc2C)C[C@H]1c1cn(C)cn1	ZINC001130690109	939979931	/nfs/dbraw/zinc/97/99/31/939979931.db2.gz	XSQQPVLROZKQBZ-AZUAARDMSA-N	1	0	366.465	1.463	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2ccco2)C[C@H]1c1cn(C)cn1	ZINC001130690059	939979966	/nfs/dbraw/zinc/97/99/66/939979966.db2.gz	VBLMWIQMORSACJ-VDZJLULYSA-N	1	0	354.454	1.799	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]cn2)C[C@H]1c1cn(C)cn1	ZINC001130690127	939980065	/nfs/dbraw/zinc/98/00/65/939980065.db2.gz	YEFIXTJRSORTCE-VDZJLULYSA-N	1	0	370.501	1.872	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cncn2C)C1	ZINC001130682572	939982228	/nfs/dbraw/zinc/98/22/28/939982228.db2.gz	FVOFYCVDVWTBTR-FUHWJXTLSA-N	1	0	370.501	1.840	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)[nH]c2=O)C[C@H]1c1cn(C)cn1	ZINC001130682902	939982695	/nfs/dbraw/zinc/98/26/95/939982695.db2.gz	ONMUGFFRRASSPZ-DOTOQJQBSA-N	1	0	353.426	1.050	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CCC(C)(C)C)C[C@H]1c1cn(C)cn1	ZINC001130695248	939989740	/nfs/dbraw/zinc/98/97/40/939989740.db2.gz	JNGMZDLPSGVKDC-FUHWJXTLSA-N	1	0	360.502	1.780	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2c(C)noc2C)C[C@H]1c1cn(C)cn1	ZINC001130695109	939989790	/nfs/dbraw/zinc/98/97/90/939989790.db2.gz	DZOQQEKXEAAAEO-QANKJYHBSA-N	1	0	369.469	1.736	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(OC)cc[nH]c2=O)C[C@H]1c1cn(C)cn1	ZINC001130709759	939997776	/nfs/dbraw/zinc/99/77/76/939997776.db2.gz	DZMLDXKFQXEMKV-DZGCQCFKSA-N	1	0	371.441	1.303	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)COCCCOC)C[C@H]1c1cn(C)cn1	ZINC001130712897	939999908	/nfs/dbraw/zinc/99/99/08/939999908.db2.gz	QYWPAYJSVDIVBS-FUHWJXTLSA-N	1	0	364.490	1.323	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCC(=O)NCCC)C[C@H]1c1cn(C)cn1	ZINC001130714606	940006341	/nfs/dbraw/zinc/00/63/41/940006341.db2.gz	FLJHZOKGZMMAAB-DOTOQJQBSA-N	1	0	361.490	1.187	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cccc2)C[C@H]1c1cn(C)cn1	ZINC001130714537	940006360	/nfs/dbraw/zinc/00/63/60/940006360.db2.gz	CUBBTLFYAXJDHG-JENIJYKNSA-N	1	0	353.470	1.780	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+][C@@H](C)COC)C2)nc1	ZINC001130715309	940007946	/nfs/dbraw/zinc/00/79/46/940007946.db2.gz	XGUDULPIMOCSGQ-URLQWDBASA-N	1	0	367.453	1.029	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)[nH]nc2C(C)C)C[C@H]1c1cn(C)cn1	ZINC001130708357	940014010	/nfs/dbraw/zinc/01/40/10/940014010.db2.gz	LMZXIKUFNRDXLI-DOTOQJQBSA-N	1	0	368.485	1.796	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc(N(C)C)c2)C[C@H]1c1cn(C)cn1	ZINC001130719429	940022868	/nfs/dbraw/zinc/02/28/68/940022868.db2.gz	PRHFDRSFHVHTGI-AZUAARDMSA-N	1	0	365.481	1.707	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3cccnc3C2)C[C@H]1c1cn(C)cn1	ZINC001130721865	940026068	/nfs/dbraw/zinc/02/60/68/940026068.db2.gz	TYFQGSHAIPWABL-ABSDTBQOSA-N	1	0	363.465	1.137	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCCn2ccnc2)C[C@H]1c1cn(C)cn1	ZINC001130739591	940041279	/nfs/dbraw/zinc/04/12/79/940041279.db2.gz	GTHGUMSDHWNWTO-PKOBYXMFSA-N	1	0	370.501	1.947	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CNC(=O)[C@H](C)CC)C[C@H]1c1cn(C)cn1	ZINC001130731517	940044866	/nfs/dbraw/zinc/04/48/66/940044866.db2.gz	IAIMUFRYVMNEFG-HLLBOEOZSA-N	1	0	361.490	1.043	20	30		FDEDRO
C=C[C@@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOC)C1)c1ccccc1	ZINC001130731802	940045231	/nfs/dbraw/zinc/04/52/31/940045231.db2.gz	PQNVBSCETNJTJZ-WSTZPKSXSA-N	1	0	368.481	1.920	20	30		FDEDRO
Cn1cnc([C@@H]2CN(C(=O)CC#Cc3ccccc3)C[C@H]2[NH2+]CCCO)c1	ZINC001130731869	940045718	/nfs/dbraw/zinc/04/57/18/940045718.db2.gz	RQGOHAJKMLBTMH-AZUAARDMSA-N	1	0	366.465	1.128	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3n(c2)CCCC3)C[C@H]1c1cn(C)cn1	ZINC001130746401	940050858	/nfs/dbraw/zinc/05/08/58/940050858.db2.gz	DXIAZFSWIHWOPZ-AZUAARDMSA-N	1	0	365.481	1.779	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCOC)n2)O1	ZINC001130754812	940066339	/nfs/dbraw/zinc/06/63/39/940066339.db2.gz	OOXYOFPXLFIOJY-UONOGXRCSA-N	1	0	351.451	1.233	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)OCCCC)n2)O1	ZINC001130762180	940069855	/nfs/dbraw/zinc/06/98/55/940069855.db2.gz	NWFSUYPQBGDVRO-QLFBSQMISA-N	1	0	363.462	1.069	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccccc3O)n2)O1	ZINC001130758299	940083988	/nfs/dbraw/zinc/08/39/88/940083988.db2.gz	WZFRLYGYGORINK-XJKSGUPXSA-N	1	0	369.425	1.273	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cccc(C)n3)n2)O1	ZINC001130759838	940087047	/nfs/dbraw/zinc/08/70/47/940087047.db2.gz	PFSOXGIEGRCLEA-GOEBONIOSA-N	1	0	370.457	1.824	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3cccnc3)n2)O1	ZINC001130774753	940090973	/nfs/dbraw/zinc/09/09/73/940090973.db2.gz	BNLPNKXVPFJRCU-LSDHHAIUSA-N	1	0	356.430	1.054	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCCOC3)n2)O1	ZINC001130765608	940097336	/nfs/dbraw/zinc/09/73/36/940097336.db2.gz	ZPEZZGXVXNXQAU-QLFBSQMISA-N	1	0	363.462	1.233	20	30		FDEDRO
C=CCOCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C[C@H](F)CC)O2)n[nH]1	ZINC001130769617	940106754	/nfs/dbraw/zinc/10/67/54/940106754.db2.gz	MGKIXSDNDGMQIX-HZSPNIEDSA-N	1	0	369.441	1.181	20	30		FDEDRO
C[C@H](C#N)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC3CCCC3)O2)n[nH]1	ZINC001130769629	940107062	/nfs/dbraw/zinc/10/70/62/940107062.db2.gz	MMYFWSBCLODBKC-VHDGCEQUSA-N	1	0	360.462	1.580	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3[C@@H]4CCC[C@@H]43)n2)O1	ZINC001130769637	940107159	/nfs/dbraw/zinc/10/71/59/940107159.db2.gz	MPVRMZNRJZVBKH-DEQQHWRFSA-N	1	0	359.474	1.853	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(F)=C3CCCC3)n2)O1	ZINC001130772469	940112293	/nfs/dbraw/zinc/11/22/93/940112293.db2.gz	OLXHAOJMZSNJAH-UONOGXRCSA-N	1	0	361.421	1.661	20	30		FDEDRO
C#CCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCC3CC3)O2)n[nH]1	ZINC001130778241	940131585	/nfs/dbraw/zinc/13/15/85/940131585.db2.gz	NDJGBPFRXIPUEL-JKSUJKDBSA-N	1	0	359.474	1.834	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC3(COC)CC3)n2)O1	ZINC001130780809	940135099	/nfs/dbraw/zinc/13/50/99/940135099.db2.gz	DURYKDUMIGEUAJ-UONOGXRCSA-N	1	0	363.462	1.233	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(F)ccc3C)n2)O1	ZINC001130794337	940146228	/nfs/dbraw/zinc/14/62/28/940146228.db2.gz	SHSNXAKKLQCCPX-GOEBONIOSA-N	1	0	371.416	1.625	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC#CC)O2)n[nH]1	ZINC001130796074	940148858	/nfs/dbraw/zinc/14/88/58/940148858.db2.gz	HCPCPTUXMFWSMQ-HRCADAONSA-N	1	0	359.474	1.856	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccsn3)n2)O1	ZINC001130787156	940154950	/nfs/dbraw/zinc/15/49/50/940154950.db2.gz	BTNGJAXXKSAPAF-WCQYABFASA-N	1	0	360.443	1.024	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCC(C)(F)F)n2)O1	ZINC001130790286	940163050	/nfs/dbraw/zinc/16/30/50/940163050.db2.gz	QZKCXSKNSDYESQ-QWHCGFSZSA-N	1	0	369.416	1.689	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCCF)n2)O1	ZINC001130799374	940191019	/nfs/dbraw/zinc/19/10/19/940191019.db2.gz	DQHHOEMWDLWRDQ-UONOGXRCSA-N	1	0	353.442	1.947	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](CCC)OC)n2)O1	ZINC001130799358	940191041	/nfs/dbraw/zinc/19/10/41/940191041.db2.gz	DARAAKQGJSYCFX-RRFJBIMHSA-N	1	0	363.462	1.069	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cccc(C)n3)C2)C1=O	ZINC001086647511	940191514	/nfs/dbraw/zinc/19/15/14/940191514.db2.gz	PUQJIOBJMMDNNL-LZLYRXPVSA-N	1	0	356.470	1.665	20	30		FDEDRO
C=CCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+][C@@H](C)COC)O2)n[nH]1	ZINC001130799422	940191959	/nfs/dbraw/zinc/19/19/59/940191959.db2.gz	GRLNEWAZEWSGQD-SOUVJXGZSA-N	1	0	365.478	1.622	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COCCC=C)n2)O1	ZINC001130823195	940203365	/nfs/dbraw/zinc/20/33/65/940203365.db2.gz	OPMQXVUFNRTREI-LSDHHAIUSA-N	1	0	363.462	1.399	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)CCCOC)n2)O1	ZINC001130815837	940216745	/nfs/dbraw/zinc/21/67/45/940216745.db2.gz	BYZIKQHKGFUUHV-SOUVJXGZSA-N	1	0	365.478	1.479	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3nocc3C)n2)O1	ZINC001130816371	940218381	/nfs/dbraw/zinc/21/83/81/940218381.db2.gz	SZDINEQVUCHGCI-QWHCGFSZSA-N	1	0	360.418	1.417	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(C)(C)C)n2)O1	ZINC001130816475	940218741	/nfs/dbraw/zinc/21/87/41/940218741.db2.gz	YDROGELXCLBQIV-UONOGXRCSA-N	1	0	365.478	1.479	20	30		FDEDRO
C#CCOCCNC(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1	ZINC000807106437	940251925	/nfs/dbraw/zinc/25/19/25/940251925.db2.gz	QHWRXUMCKYZHRG-UHFFFAOYSA-N	1	0	358.486	1.095	20	30		FDEDRO
C#CCC[C@H](O)CNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000807253628	940286820	/nfs/dbraw/zinc/28/68/20/940286820.db2.gz	BQNBXGSCUXSRFT-KRWDZBQOSA-N	1	0	359.470	1.733	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2ccccc2C)C[C@H]1c1cncn1C	ZINC001130897807	940301064	/nfs/dbraw/zinc/30/10/64/940301064.db2.gz	NTCZSVMASVNKCS-RTBURBONSA-N	1	0	366.465	1.576	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(CC)n[nH]2)C[C@H]1c1cncn1C	ZINC001130922571	940320149	/nfs/dbraw/zinc/32/01/49/940320149.db2.gz	KRONSKJYPBLKKE-NVXWUHKLSA-N	1	0	356.474	1.870	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CCSC)C[C@H]1c1cncn1C	ZINC001130913139	940322713	/nfs/dbraw/zinc/32/27/13/940322713.db2.gz	QDXAFEOCMJDEEU-HUUCEWRRSA-N	1	0	352.504	1.260	20	30		FDEDRO
C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1	ZINC000807338829	940325849	/nfs/dbraw/zinc/32/58/49/940325849.db2.gz	NIOFJXWIVSXGQL-QGZVFWFLSA-N	1	0	367.453	1.134	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(=O)NCCCC)C1	ZINC001130935633	940344593	/nfs/dbraw/zinc/34/45/93/940344593.db2.gz	DCTANRSLOUUBTJ-HZPDHXFCSA-N	1	0	361.490	1.187	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC2CC(F)(F)C2)C1	ZINC001130948295	940346701	/nfs/dbraw/zinc/34/67/01/940346701.db2.gz	DOTVRGFSQLPVRD-HUUCEWRRSA-N	1	0	368.428	1.552	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ocnc2C)C1	ZINC001130948432	940346889	/nfs/dbraw/zinc/34/68/89/940346889.db2.gz	LAFHGANHMBHRSW-HUUCEWRRSA-N	1	0	359.430	1.003	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOC2CCC2)C1	ZINC001130948766	940347285	/nfs/dbraw/zinc/34/72/85/940347285.db2.gz	XJMOOXAHZNXSIA-IAGOWNOFSA-N	1	0	362.474	1.076	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOc2ccccc2)C1	ZINC001130940533	940350710	/nfs/dbraw/zinc/35/07/10/940350710.db2.gz	BLPTWWOZLOWNKC-CGTJXYLNSA-N	1	0	367.453	1.543	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#Cc2ccccc2)C1	ZINC001130946190	940357666	/nfs/dbraw/zinc/35/76/66/940357666.db2.gz	MDHQOBWKLHDCHT-QXAKKESOSA-N	1	0	361.449	1.515	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1	ZINC000807454775	940364347	/nfs/dbraw/zinc/36/43/47/940364347.db2.gz	ZAIHMUYLKOGUGZ-MAUKXSAKSA-N	1	0	355.438	1.722	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cc(C)n[nH]2)C[C@H]1c1cncn1C	ZINC001130953651	940373612	/nfs/dbraw/zinc/37/36/12/940373612.db2.gz	IIYYLOABBKVWFK-ZTFGCOKTSA-N	1	0	370.501	1.933	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CC[C@@H](C)OC)C[C@H]1c1cncn1C	ZINC001130967080	940389908	/nfs/dbraw/zinc/38/99/08/940389908.db2.gz	NEUYOMLDMUFWOV-BRWVUGGUSA-N	1	0	364.490	1.322	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1c1cncn1C	ZINC001130981214	940395600	/nfs/dbraw/zinc/39/56/00/940395600.db2.gz	YTJBXAGVSPUXKQ-RRFJBIMHSA-N	1	0	357.462	1.101	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC2CCCC2)C1	ZINC001130983494	940398485	/nfs/dbraw/zinc/39/84/85/940398485.db2.gz	UUFFVGDPWHBSTM-HLIPFELVSA-N	1	0	360.502	1.821	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cccnc2)C1	ZINC001130983450	940398659	/nfs/dbraw/zinc/39/86/59/940398659.db2.gz	SLIWHHULNSCJNE-QZTJIDSGSA-N	1	0	351.454	1.559	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC2CCCC2)C1	ZINC001130989000	940411116	/nfs/dbraw/zinc/41/11/16/940411116.db2.gz	SHHARZJCORYYTH-KBAYOESNSA-N	1	0	358.486	1.533	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H](OCC)C(=C)C)C[C@H]1c1cncn1C	ZINC001131003830	940430347	/nfs/dbraw/zinc/43/03/47/940430347.db2.gz	RVMUMVXDWFQDCL-LMMKCTJWSA-N	1	0	358.486	1.699	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC#CCOC)C2)CCC1	ZINC001131007846	940434421	/nfs/dbraw/zinc/43/44/21/940434421.db2.gz	NVLKUPLQUMRNST-QZTJIDSGSA-N	1	0	368.481	1.148	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(F)c(F)c2)C[C@H]1c1cncn1C	ZINC001131008019	940434530	/nfs/dbraw/zinc/43/45/30/940434530.db2.gz	SCSFDCXLFNMUGM-RHSMWYFYSA-N	1	0	358.392	1.919	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2Cl)C[C@H]1c1cncn1C	ZINC001131017666	940438538	/nfs/dbraw/zinc/43/85/38/940438538.db2.gz	FRNMWQTYMBUISU-ZIAGYGMSSA-N	1	0	360.849	1.028	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cncc(OC)c2C)C[C@H]1c1cncn1C	ZINC001131017857	940438968	/nfs/dbraw/zinc/43/89/68/940438968.db2.gz	PJIOFYKRJBYAHT-IAGOWNOFSA-N	1	0	367.453	1.353	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)n2ccnc2)C[C@H]1c1cncn1C	ZINC001131013211	940444802	/nfs/dbraw/zinc/44/48/02/940444802.db2.gz	XXFYKLJAPMCUKC-KURKYZTESA-N	1	0	368.485	1.421	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCn3nccc32)C[C@H]1c1cncn1C	ZINC001131020350	940452939	/nfs/dbraw/zinc/45/29/39/940452939.db2.gz	RGIGVPVFEKALFR-GVDBMIGSSA-N	1	0	368.485	1.654	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cn2cc(C3CC3)cn2)C[C@H]1c1cncn1C	ZINC001131022609	940456041	/nfs/dbraw/zinc/45/60/41/940456041.db2.gz	CIHZXPYCHLKAAA-QZTJIDSGSA-N	1	0	368.485	1.654	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cn2cc(C3CC3)cn2)C[C@H]1c1cncn1C	ZINC001131023313	940456616	/nfs/dbraw/zinc/45/66/16/940456616.db2.gz	XKJUGVRJHNRHRB-QZTJIDSGSA-N	1	0	366.469	1.102	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1c1cncn1C	ZINC001131026043	940459441	/nfs/dbraw/zinc/45/94/41/940459441.db2.gz	QVNHHGVZMOWSRX-ZIAGYGMSSA-N	1	0	371.441	1.276	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)COCc2ncc(C)o2)C[C@H]1c1cncn1C	ZINC001131028798	940463311	/nfs/dbraw/zinc/46/33/11/940463311.db2.gz	JWOZWUSEEYDTDP-HUUCEWRRSA-N	1	0	359.430	1.003	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2snnc2CC)C[C@H]1c1cncn1C	ZINC001131029013	940463947	/nfs/dbraw/zinc/46/39/47/940463947.db2.gz	WIUMQSLPXMVFIU-TZMCWYRMSA-N	1	0	360.487	1.608	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)c(C)n2)C[C@H]1c1cncn1C	ZINC001131031634	940469222	/nfs/dbraw/zinc/46/92/22/940469222.db2.gz	UOHFSFQMUQZKAE-SJLPKXTDSA-N	1	0	351.454	1.653	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(F)ccc2OC)C[C@H]1c1cncn1C	ZINC001131043730	940472849	/nfs/dbraw/zinc/47/28/49/940472849.db2.gz	GJJOETKPSSYWKU-IAGOWNOFSA-N	1	0	370.428	1.789	20	30		FDEDRO
C=CCN(C(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)C(C)C	ZINC000807767285	940474919	/nfs/dbraw/zinc/47/49/19/940474919.db2.gz	KXQXCGPYERIYLL-UHFFFAOYSA-N	1	0	373.497	1.683	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C(C)C)C[C@H]1c1cncn1C	ZINC001131046827	940475511	/nfs/dbraw/zinc/47/55/11/940475511.db2.gz	XETWJCHREMHUMT-INMHGKMJSA-N	1	0	352.454	1.501	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)C(F)(F)F)C[C@H]1c1cncn1C	ZINC001131061579	940479671	/nfs/dbraw/zinc/47/96/71/940479671.db2.gz	GQJBYMYDMFEPIU-BFHYXJOUSA-N	1	0	356.392	1.916	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@H]2CCOC2)C1	ZINC001131051681	940480182	/nfs/dbraw/zinc/48/01/82/940480182.db2.gz	UENICQXAOVPROI-KZNAEPCWSA-N	1	0	358.486	1.534	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CCOC)C1	ZINC001131055645	940481571	/nfs/dbraw/zinc/48/15/71/940481571.db2.gz	GJWBVRIRLAKTSY-KZNAEPCWSA-N	1	0	358.486	1.556	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CCOC)C1	ZINC001131066595	940482455	/nfs/dbraw/zinc/48/24/55/940482455.db2.gz	JMPVLPRDGNEIDB-HLIPFELVSA-N	1	0	358.486	1.556	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cnn(C)c2)C[C@H]1c1cncn1C	ZINC001131098569	940492789	/nfs/dbraw/zinc/49/27/89/940492789.db2.gz	GFBYYFOQPWIZBS-IAGOWNOFSA-N	1	0	370.501	1.592	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cccc(OC)n2)C[C@H]1c1cncn1C	ZINC001131099601	940493864	/nfs/dbraw/zinc/49/38/64/940493864.db2.gz	VKQVBOLCVRXIRK-NVXWUHKLSA-N	1	0	369.469	1.988	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccnc(C)c2)C[C@H]1c1cncn1C	ZINC001131091238	940495567	/nfs/dbraw/zinc/49/55/67/940495567.db2.gz	BGJVEKWBWJBRGA-QZTJIDSGSA-N	1	0	369.469	1.524	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCOCC)C2)cn1	ZINC001131113146	940499207	/nfs/dbraw/zinc/49/92/07/940499207.db2.gz	VNMORMBSOULKDG-QZTJIDSGSA-N	1	0	367.453	1.031	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCCc2cccnc2)C[C@H]1c1cncn1C	ZINC001131103446	940500953	/nfs/dbraw/zinc/50/09/53/940500953.db2.gz	KYDSWSLDRUWQQJ-RTBURBONSA-N	1	0	365.481	1.745	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2CC3(C2)CCOCC3)C[C@H]1c1cncn1C	ZINC001131105906	940501638	/nfs/dbraw/zinc/50/16/38/940501638.db2.gz	KIXCLLVZVSBIHH-QZTJIDSGSA-N	1	0	370.497	1.534	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c3c(nn2C)CCC3)C[C@H]1c1cncn1C	ZINC001131106067	940501729	/nfs/dbraw/zinc/50/17/29/940501729.db2.gz	NEOWHVUWZUXUEN-NVXWUHKLSA-N	1	0	368.485	1.416	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1c1cncn1C	ZINC001131130482	940511015	/nfs/dbraw/zinc/51/10/15/940511015.db2.gz	PGDDTCDELQZQJS-WOJBJXKFSA-N	1	0	360.461	1.769	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[C@@H]1CCCO1	ZINC000808022039	940512338	/nfs/dbraw/zinc/51/23/38/940512338.db2.gz	FVOGAJNYORGNAQ-FZCLSBEQSA-N	1	0	361.486	1.053	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccccn2)C1	ZINC001131132219	940512417	/nfs/dbraw/zinc/51/24/17/940512417.db2.gz	DAZZQKWBBWJKJO-QZTJIDSGSA-N	1	0	369.469	1.492	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CN(C)Cc2ccccc2)C[C@H]1c1cncn1C	ZINC001131133064	940512674	/nfs/dbraw/zinc/51/26/74/940512674.db2.gz	ZZVYZAIDYQDOLL-RTBURBONSA-N	1	0	367.497	1.622	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COC[C@H]2CCCO2)C[C@H]1c1cncn1C	ZINC001131136460	940513499	/nfs/dbraw/zinc/51/34/99/940513499.db2.gz	OIYNMEAPTRUUDU-BRWVUGGUSA-N	1	0	362.474	1.076	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)C(N)=O)C[C@H]1c1cncn1C	ZINC001131136615	940513648	/nfs/dbraw/zinc/51/36/48/940513648.db2.gz	WALYSYSQPRVIDF-BZUAXINKSA-N	1	0	361.490	1.028	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)COCC)C1	ZINC001131297957	940545151	/nfs/dbraw/zinc/54/51/51/940545151.db2.gz	PRPPPHLEWNYTGA-OAGGEKHMSA-N	1	0	351.447	1.095	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ccco2)C1	ZINC001131298069	940545176	/nfs/dbraw/zinc/54/51/76/940545176.db2.gz	SDVXLMSQKMWPSG-INMHGKMJSA-N	1	0	359.426	1.965	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cn[nH]c2)C1	ZINC001131301313	940547091	/nfs/dbraw/zinc/54/70/91/940547091.db2.gz	RLHMQHMJGUVHGH-XHSDSOJGSA-N	1	0	359.430	1.095	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCCOCC)C1	ZINC001131301294	940547111	/nfs/dbraw/zinc/54/71/11/940547111.db2.gz	RBISSHPFYLHAOZ-BBWFWOEESA-N	1	0	365.474	1.485	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cncnc2)C1	ZINC001131303885	940547759	/nfs/dbraw/zinc/54/77/59/940547759.db2.gz	GVPMEUPZJTUVPN-ZACQAIPSSA-N	1	0	371.441	1.162	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cccc(=O)[nH]3)C2)C1=O	ZINC001086666225	940556217	/nfs/dbraw/zinc/55/62/17/940556217.db2.gz	DBYHESITBLPDIZ-LZWOXQAQSA-N	1	0	358.442	1.062	20	30		FDEDRO
C=CCCCCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2OCC[C@H]2C)CC1	ZINC001131383515	940559456	/nfs/dbraw/zinc/55/94/56/940559456.db2.gz	LTSAVMVERSEBHS-MJGOQNOKSA-N	1	0	365.518	1.808	20	30		FDEDRO
CC(C)N1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1=O	ZINC001086667475	940559689	/nfs/dbraw/zinc/55/96/89/940559689.db2.gz	JMIULBMUHIZWGS-IMJJTQAJSA-N	1	0	357.458	1.384	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)F)CC1	ZINC001131411496	940566060	/nfs/dbraw/zinc/56/60/60/940566060.db2.gz	VEMYBRYZKVXACJ-ZBFHGGJFSA-N	1	0	355.454	1.022	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C=C(C)C)CC1	ZINC001131411358	940566067	/nfs/dbraw/zinc/56/60/67/940566067.db2.gz	QXGVUDPIMRAFMG-SUMDDJOVSA-N	1	0	361.486	1.076	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccco2)CC1	ZINC001131411066	940566087	/nfs/dbraw/zinc/56/60/87/940566087.db2.gz	MYNAAQVQVWEHGU-QAPCUYQASA-N	1	0	361.442	1.181	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC(C)(C)C)CC1	ZINC001131421754	940566363	/nfs/dbraw/zinc/56/63/63/940566363.db2.gz	TZANZQLQQRFXNJ-APWZRJJASA-N	1	0	363.502	1.158	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOC)CC1	ZINC001131442209	940591503	/nfs/dbraw/zinc/59/15/03/940591503.db2.gz	LDAINXNRDQBTAN-NXHRZFHOSA-N	1	0	354.491	1.600	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCOCC)CC1	ZINC001131432069	940595262	/nfs/dbraw/zinc/59/52/62/940595262.db2.gz	ZGVYRONBFJUPQK-QUCCMNQESA-N	1	0	368.518	1.991	20	30		FDEDRO
C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2ccns2)CC1	ZINC001131461308	940603244	/nfs/dbraw/zinc/60/32/44/940603244.db2.gz	JPQUBHUOUMZDFC-AEFFLSMTSA-N	1	0	365.499	1.831	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CN(C)CCO2)CC1	ZINC001131461346	940604740	/nfs/dbraw/zinc/60/47/40/940604740.db2.gz	LNAPUWJILQHCDG-QRVBRYPASA-N	1	0	365.518	1.269	20	30		FDEDRO
C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cc(C)no2)CC1	ZINC001131454019	940607752	/nfs/dbraw/zinc/60/77/52/940607752.db2.gz	IWMPBRNWPXPOTF-MJGOQNOKSA-N	1	0	363.458	1.671	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)CC1	ZINC001131464267	940621652	/nfs/dbraw/zinc/62/16/52/940621652.db2.gz	KFISMWJWMONFQT-RMMWZPCPSA-N	1	0	360.498	1.668	20	30		FDEDRO
C#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCn2cncn2)CC1	ZINC001131487855	940631800	/nfs/dbraw/zinc/63/18/00/940631800.db2.gz	JPPXGOUJWMVKLT-MJGOQNOKSA-N	1	0	359.474	1.067	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCc2cc(C#N)ccc2F)C1	ZINC000808835770	940633051	/nfs/dbraw/zinc/63/30/51/940633051.db2.gz	VECTVPHDJOLJPB-MRXNPFEDSA-N	1	0	374.460	1.798	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCC)CC1	ZINC001131483163	940638963	/nfs/dbraw/zinc/63/89/63/940638963.db2.gz	QUDQFZVVCMRCMD-NEWSRXKRSA-N	1	0	354.491	1.336	20	30		FDEDRO
C#CCOCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H](CC)OC)CC1	ZINC001131498658	940648806	/nfs/dbraw/zinc/64/88/06/940648806.db2.gz	IVLZEGLHYQDGET-GGPKGHCWSA-N	1	0	366.502	1.437	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NC)CC1	ZINC001131503342	940653568	/nfs/dbraw/zinc/65/35/68/940653568.db2.gz	ZFTJXRVLHHZQPS-ZBFHGGJFSA-N	1	0	371.909	1.497	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)[C@H]1CCCO1	ZINC000808945342	940657528	/nfs/dbraw/zinc/65/75/28/940657528.db2.gz	XTOVRMBFGGYPBI-YTQUADARSA-N	1	0	371.481	1.310	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccnn2CCC)CC1	ZINC001131506506	940668380	/nfs/dbraw/zinc/66/83/80/940668380.db2.gz	BWGRGDSUWGSTBD-MJGOQNOKSA-N	1	0	358.486	1.916	20	30		FDEDRO
C=C(C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H](O)COC)CC1	ZINC001131506495	940668383	/nfs/dbraw/zinc/66/83/83/940668383.db2.gz	BFDVCCHTAFJVAW-LMMKCTJWSA-N	1	0	354.491	1.336	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2ccncn2)CC1	ZINC001131506592	940668630	/nfs/dbraw/zinc/66/86/30/940668630.db2.gz	GKRFQUISAVSUBT-QUCCMNQESA-N	1	0	356.470	1.418	20	30		FDEDRO
C=C(C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2nnc(C)[nH]2)CC1	ZINC001131506660	940668697	/nfs/dbraw/zinc/66/86/97/940668697.db2.gz	JFYWSKZERHSCAH-APWZRJJASA-N	1	0	361.490	1.955	20	30		FDEDRO
C=C(C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](CC)C(N)=O)CC1	ZINC001131506997	940670131	/nfs/dbraw/zinc/67/01/31/940670131.db2.gz	ZTDPZAVICMBEDW-JZXOWHBKSA-N	1	0	351.491	1.592	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cncc(COC)c2)CC1	ZINC001131515667	940681340	/nfs/dbraw/zinc/68/13/40/940681340.db2.gz	XONVRMMXZLBGNC-UXHICEINSA-N	1	0	371.481	1.851	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COc2cc(C)on2)CC1	ZINC001131517465	940685081	/nfs/dbraw/zinc/68/50/81/940685081.db2.gz	SONAMJKTBDFNOK-APWZRJJASA-N	1	0	363.458	1.924	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc3nc[nH]c3n2)CC1	ZINC001131519567	940688840	/nfs/dbraw/zinc/68/88/40/940688840.db2.gz	RSVKMYYLANUYAA-QAPCUYQASA-N	1	0	367.453	1.581	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn3ccncc23)CC1	ZINC001131511893	940693825	/nfs/dbraw/zinc/69/38/25/940693825.db2.gz	BGLIIADNCICJLU-MJGOQNOKSA-N	1	0	369.469	1.905	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc3n(n2)CCO3)CC1	ZINC001131512189	940694842	/nfs/dbraw/zinc/69/48/42/940694842.db2.gz	RRFLJLYUOJJBOW-QAPCUYQASA-N	1	0	360.458	1.451	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cncn2C)CC1	ZINC001131527878	940697464	/nfs/dbraw/zinc/69/74/64/940697464.db2.gz	DDXMOERKZIRPSP-AEFFLSMTSA-N	1	0	362.474	1.222	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cocc2C)CC1	ZINC001131541604	940716226	/nfs/dbraw/zinc/71/62/26/940716226.db2.gz	UIPJASCBTGZDCI-MOPGFXCFSA-N	1	0	360.454	1.837	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2ccc(=O)[nH]c2)CC1	ZINC001131549929	940738764	/nfs/dbraw/zinc/73/87/64/940738764.db2.gz	GWJZWLIZYKFPCR-NQIIRXRSSA-N	1	0	371.481	1.729	20	30		FDEDRO
C[NH+](C)CCNC(=O)CC1SC(=Nc2cc(F)ccc2F)NC1=O	ZINC000809144074	940739658	/nfs/dbraw/zinc/73/96/58/940739658.db2.gz	CHHJRJJRKLWANG-LBPRGKRZSA-N	1	0	356.398	1.252	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCC)CC1	ZINC001131567668	940743138	/nfs/dbraw/zinc/74/31/38/940743138.db2.gz	NEYLTQIRNFQMIL-YRXWBPOGSA-N	1	0	366.502	1.600	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H]2CCNC2=O)CC1	ZINC001131572358	940748497	/nfs/dbraw/zinc/74/84/97/940748497.db2.gz	FHVWBMGAPZTUGD-ZACQAIPSSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](CC)C(N)=O)CC1	ZINC001131573072	940749235	/nfs/dbraw/zinc/74/92/35/940749235.db2.gz	SSGUDEHSMHPFDH-BBWFWOEESA-N	1	0	365.518	1.838	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2cc(Cl)cn2)CC1	ZINC001131574516	940751230	/nfs/dbraw/zinc/75/12/30/940751230.db2.gz	CIIMEMKXJIYPGU-AEFFLSMTSA-N	1	0	364.877	1.546	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc3cccnn32)CC1	ZINC001131575160	940752129	/nfs/dbraw/zinc/75/21/29/940752129.db2.gz	ROHXUYHJOLBTJI-QUCCMNQESA-N	1	0	366.465	1.957	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCN2CCOCC2)CC1	ZINC001131577730	940754753	/nfs/dbraw/zinc/75/47/53/940754753.db2.gz	DOOCYIFOSVBBPH-QUCCMNQESA-N	1	0	365.518	1.271	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccn(C)n2)CC1	ZINC001131605093	940775166	/nfs/dbraw/zinc/77/51/66/940775166.db2.gz	WRRHHXZUSMQLSZ-AEFFLSMTSA-N	1	0	362.474	1.222	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCOC)CC2)cn1	ZINC001131596980	940780402	/nfs/dbraw/zinc/78/04/02/940780402.db2.gz	DYIGGQAOIZSQGZ-MOPGFXCFSA-N	1	0	357.454	1.309	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](CC(C)C)C(N)=O)CC1	ZINC001131620038	940796118	/nfs/dbraw/zinc/79/61/18/940796118.db2.gz	BCAXFFGGHCUYQY-KURKYZTESA-N	1	0	363.502	1.143	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)[C@@H]1CCCO1	ZINC000809309018	940812797	/nfs/dbraw/zinc/81/27/97/940812797.db2.gz	KVTKCFOZDGXGFM-ROUUACIJSA-N	1	0	357.454	1.004	20	30		FDEDRO
CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)C1	ZINC000809502154	940844868	/nfs/dbraw/zinc/84/48/68/940844868.db2.gz	DVFWRVQWVFDHFM-INIZCTEOSA-N	1	0	372.469	1.373	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)[C@@H](C)C1	ZINC000809503452	940845369	/nfs/dbraw/zinc/84/53/69/940845369.db2.gz	ZQXHFOYUSXXQMY-YOEHRIQHSA-N	1	0	372.469	1.372	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc1C#N	ZINC000809504059	940846185	/nfs/dbraw/zinc/84/61/85/940846185.db2.gz	FKMODVOQLLXLFR-INIZCTEOSA-N	1	0	358.442	1.172	20	30		FDEDRO
COc1nccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1	ZINC001086675889	940923771	/nfs/dbraw/zinc/92/37/71/940923771.db2.gz	BNCPOSPYLIQJNU-QWHCGFSZSA-N	1	0	354.414	1.373	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3CCF)C2)c[nH]1	ZINC001086676476	940948762	/nfs/dbraw/zinc/94/87/62/940948762.db2.gz	FMKFNGKBTJIIHS-GXTWGEPZSA-N	1	0	359.409	1.136	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2=O)cc1	ZINC000810126213	940957562	/nfs/dbraw/zinc/95/75/62/940957562.db2.gz	UAGKIPQLHMKFGH-AWEZNQCLSA-N	1	0	358.442	1.866	20	30		FDEDRO
CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000810488975	941003047	/nfs/dbraw/zinc/00/30/47/941003047.db2.gz	FNFDKOVAGWDZIL-CYBMUJFWSA-N	1	0	364.421	1.903	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccnn3CC)C2)C1=O	ZINC001086681920	941042915	/nfs/dbraw/zinc/04/29/15/941042915.db2.gz	NVXVOXHLUBLRJK-XHSDSOJGSA-N	1	0	359.474	1.178	20	30		FDEDRO
CC(=O)N1CC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)C1	ZINC001086682612	941046936	/nfs/dbraw/zinc/04/69/36/941046936.db2.gz	YFGMKXDDJGJXLN-PKOBYXMFSA-N	1	0	354.454	1.411	20	30		FDEDRO
N#Cc1ccc(OCC(=O)O[C@H]2CCCN(c3cc[nH+]c(N)n3)C2)cc1	ZINC000810772310	941056657	/nfs/dbraw/zinc/05/66/57/941056657.db2.gz	VKLNMQGWOMTYDQ-HNNXBMFYSA-N	1	0	353.382	1.521	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1	ZINC000810845722	941067429	/nfs/dbraw/zinc/06/74/29/941067429.db2.gz	DCJUTIIUXDVQMD-JKSUJKDBSA-N	1	0	364.467	1.935	20	30		FDEDRO
Cn1nncc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1	ZINC001086688017	941077744	/nfs/dbraw/zinc/07/77/44/941077744.db2.gz	VVLJQUCNPVURTJ-DZGCQCFKSA-N	1	0	356.405	1.514	20	30		FDEDRO
Cc1nsc(N2CCN(C(=S)NCCC[NH+](C)C)CC2)c1C#N	ZINC000811711177	941152537	/nfs/dbraw/zinc/15/25/37/941152537.db2.gz	BTSSAJBWLLVOBQ-UHFFFAOYSA-N	1	0	352.533	1.271	20	30		FDEDRO
C=CCNC(=S)N(CC[NH+](C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1	ZINC000747760222	941177832	/nfs/dbraw/zinc/17/78/32/941177832.db2.gz	JJRBVPCRKMMEGB-HNNXBMFYSA-N	1	0	361.577	1.655	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](CCO)CCOC2CCC2)CC1	ZINC001098482585	941180627	/nfs/dbraw/zinc/18/06/27/941180627.db2.gz	OPPMTEGSCDALFC-MOPGFXCFSA-N	1	0	366.502	1.432	20	30		FDEDRO
C#C[C@@H](NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C(C)C	ZINC000812122356	941183128	/nfs/dbraw/zinc/18/31/28/941183128.db2.gz	IDUJTHWMTFUOEU-MRXNPFEDSA-N	1	0	350.507	1.570	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)C3C=CC=CC=C3)C2)C1=O	ZINC001086708500	941285718	/nfs/dbraw/zinc/28/57/18/941285718.db2.gz	FSNSZYBVXBLHNI-UHOSZYNNSA-N	1	0	355.482	1.946	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=NOCC(=O)NCc2cccc(C#N)c2)cc1	ZINC000747838837	941331741	/nfs/dbraw/zinc/33/17/41/941331741.db2.gz	NWNPMAALDSREBI-UHFFFAOYSA-N	1	0	365.437	1.573	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H]1CCN(c2ccc(C)cc2)C1=O	ZINC001134054634	941531117	/nfs/dbraw/zinc/53/11/17/941531117.db2.gz	NOQLBZNLSXEOLX-SQNIBIBYSA-N	1	0	357.454	1.397	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)CC1CCCCC1	ZINC001134054966	941531556	/nfs/dbraw/zinc/53/15/56/941531556.db2.gz	XILJTCCPOJNVCC-SJORKVTESA-N	1	0	351.491	1.322	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1cc(Cl)ccc1C	ZINC001134049928	941538204	/nfs/dbraw/zinc/53/82/04/941538204.db2.gz	VAGOUMUTERMJDC-ZBFHGGJFSA-N	1	0	365.861	1.884	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccc(OCC)cc1	ZINC001134049967	941538218	/nfs/dbraw/zinc/53/82/18/941538218.db2.gz	XTDQZEYMTQYLFM-SJORKVTESA-N	1	0	361.442	1.321	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCc1cccc(Cl)c1	ZINC001134062014	941540946	/nfs/dbraw/zinc/54/09/46/941540946.db2.gz	NYCHFVKGSDIQJI-CVEARBPZSA-N	1	0	365.861	1.253	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)o1	ZINC000814106323	941551408	/nfs/dbraw/zinc/55/14/08/941551408.db2.gz	HEFXEEYRQFWPHQ-UHFFFAOYSA-N	1	0	372.469	1.996	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1	ZINC000814180733	941569143	/nfs/dbraw/zinc/56/91/43/941569143.db2.gz	OQEQOUHNFDBVJW-RBUKOAKNSA-N	1	0	373.497	1.804	20	30		FDEDRO
C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)c3ccc(C#N)cn3)c2)CC1	ZINC001134198419	941601016	/nfs/dbraw/zinc/60/10/16/941601016.db2.gz	XRXWEFSSCMRYEQ-UHFFFAOYSA-N	1	0	366.381	1.866	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(C)n(C)n2)C1	ZINC001086720812	941620018	/nfs/dbraw/zinc/62/00/18/941620018.db2.gz	PSWNCUPZLKXJCI-SCTDSRPQSA-N	1	0	357.502	1.201	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@H](CC(C)C)[NH+](CC)CC)CC1	ZINC000747981837	941729263	/nfs/dbraw/zinc/72/92/63/941729263.db2.gz	XIXZYGWRXPKMNO-SFHVURJKSA-N	1	0	364.534	1.914	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1	ZINC000815028814	941763728	/nfs/dbraw/zinc/76/37/28/941763728.db2.gz	HOWGUOFGRQJMQS-KXBFYZLASA-N	1	0	371.456	1.949	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1ccccc1OC(F)(F)F	ZINC000815082391	941777748	/nfs/dbraw/zinc/77/77/48/941777748.db2.gz	OHNMZTZOFKJQRB-UHFFFAOYSA-N	1	0	350.362	1.819	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1cc2c(cc1Cl)OCCO2	ZINC000815083270	941778464	/nfs/dbraw/zinc/77/84/64/941778464.db2.gz	VEDZTTPDLROIKV-UHFFFAOYSA-N	1	0	358.847	1.345	20	30		FDEDRO
C#CCNC(=O)CC[N@@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1	ZINC000815116574	941780669	/nfs/dbraw/zinc/78/06/69/941780669.db2.gz	VDWMOOACYFJEPC-LJQANCHMSA-N	1	0	355.482	1.729	20	30		FDEDRO
C#CCCCCCC(=O)N[C@@H]1C[N@H+](C[C@H](OC)C2CCCC2)C[C@H]1O	ZINC001195306814	970838884	/nfs/dbraw/zinc/83/88/84/970838884.db2.gz	HMRFDUWSISPMRH-QRVBRYPASA-N	1	0	350.503	1.937	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1O	ZINC001195306761	970838952	/nfs/dbraw/zinc/83/89/52/970838952.db2.gz	GXOFCINZEFAHEA-QZTJIDSGSA-N	1	0	354.454	1.746	20	30		FDEDRO
C#CCCCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](OC)C2CCCC2)C[C@H]1O	ZINC001195306812	970839493	/nfs/dbraw/zinc/83/94/93/970839493.db2.gz	HMRFDUWSISPMRH-GUDVDZBRSA-N	1	0	350.503	1.937	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NCC(F)(F)F	ZINC001135067913	941883710	/nfs/dbraw/zinc/88/37/10/941883710.db2.gz	ROMUQIVLLXNKRE-AVGNSLFASA-N	1	0	365.396	1.131	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1nc(C)cs1	ZINC001135060819	941887059	/nfs/dbraw/zinc/88/70/59/941887059.db2.gz	JADHHPWXQXFRJQ-ZFWWWQNUSA-N	1	0	366.487	1.467	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N(C)[C@@H](C)CC(C)C	ZINC001135145737	941929500	/nfs/dbraw/zinc/92/95/00/941929500.db2.gz	RLYBUNBFZCBSFV-BQFCYCMXSA-N	1	0	353.507	1.566	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccccc1OC	ZINC001135147867	941935020	/nfs/dbraw/zinc/93/50/20/941935020.db2.gz	QUQOGDBYCFRNKS-KSSFIOAISA-N	1	0	361.442	1.321	20	30		FDEDRO
C=CCC(F)(F)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C	ZINC000815869248	941989869	/nfs/dbraw/zinc/98/98/69/941989869.db2.gz	NZHDFQZGMKZJTG-HNNXBMFYSA-N	1	0	353.413	1.603	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccccc1C(=O)OC(C)(C)C	ZINC000815861065	941997683	/nfs/dbraw/zinc/99/76/83/941997683.db2.gz	PEUYJYZFLCGKNH-UHFFFAOYSA-N	1	0	373.453	1.652	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N[C@@H](CC(=O)OC)c1ccc(OC)c(OC)c1	ZINC001135748984	942392658	/nfs/dbraw/zinc/39/26/58/942392658.db2.gz	AICMRYOSKSBDIZ-HNNXBMFYSA-N	1	0	364.442	1.932	20	30		FDEDRO
Cc1nn[nH]c1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC001086772718	942457687	/nfs/dbraw/zinc/45/76/87/942457687.db2.gz	AGURDRKROOVVAY-DZGCQCFKSA-N	1	0	356.405	1.812	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnn(CC)n3)C2)cc1	ZINC001086773930	942462500	/nfs/dbraw/zinc/46/25/00/942462500.db2.gz	MWUPTRZQGVEMRC-FUHWJXTLSA-N	1	0	351.454	1.968	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3C3CC3)C2)cc1	ZINC001086774121	942462991	/nfs/dbraw/zinc/46/29/91/942462991.db2.gz	WMZRYZWHTFYMIN-DOTOQJQBSA-N	1	0	364.453	1.678	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=O)N1CCC1	ZINC001170853208	942486251	/nfs/dbraw/zinc/48/62/51/942486251.db2.gz	OMVMQUFAIZITHW-ZACQAIPSSA-N	1	0	351.491	1.465	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(=O)cn3)C2)cc1F	ZINC001086788167	942522265	/nfs/dbraw/zinc/52/22/65/942522265.db2.gz	CSQJQXQWVYVNDF-SWLSCSKDSA-N	1	0	369.400	1.469	20	30		FDEDRO
CON=Cc1ccc(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)cc1	ZINC000817165394	942601941	/nfs/dbraw/zinc/60/19/41/942601941.db2.gz	ZSIIHOSJHPMZNC-UHFFFAOYSA-N	1	0	360.458	1.389	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc(C)s3)C2)c1	ZINC001086798387	942635255	/nfs/dbraw/zinc/63/52/55/942635255.db2.gz	KDRJVRIKSSKDHR-GOEBONIOSA-N	1	0	355.467	1.911	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)NCCC[N@@H+](C)Cc2ccccc2)c1	ZINC000817289198	942659487	/nfs/dbraw/zinc/65/94/87/942659487.db2.gz	UNXKXHWSRHBBLR-UHFFFAOYSA-N	1	0	363.461	1.922	20	30		FDEDRO
C=CCn1nnn(CN2CCC[N@@H+](C3CCN(CC)CC3)CC2)c1=S	ZINC000817371781	942724243	/nfs/dbraw/zinc/72/42/43/942724243.db2.gz	CGPZIAMLMZQCHR-UHFFFAOYSA-N	1	0	365.551	1.445	20	30		FDEDRO
CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ccc(CN2CCS/C2=N\C#N)cn1	ZINC001170867564	942767230	/nfs/dbraw/zinc/76/72/30/942767230.db2.gz	IBCBABHMWDUTHW-ATODVUISSA-N	1	0	374.470	1.030	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C4CC4)n[nH]3)C2)C1=O	ZINC001086810782	942871654	/nfs/dbraw/zinc/87/16/54/942871654.db2.gz	HJARKROBYKWITD-NUEKZKHPSA-N	1	0	371.485	1.562	20	30		FDEDRO
C#C[C@H](NC(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1)[C@H]1CCCO1	ZINC000817779576	942946180	/nfs/dbraw/zinc/94/61/80/942946180.db2.gz	CCSVEFNYALCKEQ-RBUKOAKNSA-N	1	0	362.518	1.369	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)NC2CC[NH+](CCOC(C)C)CC2)c1	ZINC000817836837	942999655	/nfs/dbraw/zinc/99/96/55/942999655.db2.gz	OTJOAVYSBPTCAO-UHFFFAOYSA-N	1	0	371.481	1.290	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2(C)C[NH2+]C2)cc1	ZINC000817922737	943079272	/nfs/dbraw/zinc/07/92/72/943079272.db2.gz	KXDOVKBWDQILRS-RGEXLXHISA-N	1	0	350.444	1.047	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]([NH3+])C2CCC2)cc1	ZINC000817923302	943080075	/nfs/dbraw/zinc/08/00/75/943080075.db2.gz	WPSHCVURMIXQSG-RUAUKMDKSA-N	1	0	364.471	1.565	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1F	ZINC000818009723	943144970	/nfs/dbraw/zinc/14/49/70/943144970.db2.gz	ZFJFOLCAYKTCBV-OCCSQVGLSA-N	1	0	369.462	1.347	20	30		FDEDRO
COC(OC)c1ccc(F)c(C[NH2+]CCNC(=O)C2N=CC=CC2=O)c1	ZINC000818186604	943193089	/nfs/dbraw/zinc/19/30/89/943193089.db2.gz	KWSVVIZVOAJHDE-WUKNDPDISA-N	1	0	363.389	1.733	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3C)C2)cc1	ZINC001086822051	943322131	/nfs/dbraw/zinc/32/21/31/943322131.db2.gz	NLTCXRKPYOJEQF-DOTOQJQBSA-N	1	0	367.453	1.515	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1	ZINC000818593423	943323843	/nfs/dbraw/zinc/32/38/43/943323843.db2.gz	ZLHIYYMTMMYSEB-OAHLLOKOSA-N	1	0	359.495	1.833	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1	ZINC000818605968	943330274	/nfs/dbraw/zinc/33/02/74/943330274.db2.gz	AEDSKDWBCZLFMR-UHFFFAOYSA-N	1	0	366.506	1.001	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1ccc2c(c1)C(=O)N(CCCC)C2=O	ZINC000818608973	943330724	/nfs/dbraw/zinc/33/07/24/943330724.db2.gz	BUPCZJUKMIMAIC-UHFFFAOYSA-N	1	0	355.438	1.768	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nncn2C)C1	ZINC001086823192	943385026	/nfs/dbraw/zinc/38/50/26/943385026.db2.gz	QUUSLCDNKRTZGZ-DFGXFYAUSA-N	1	0	361.490	1.561	20	30		FDEDRO
C=CC[C@@H]([NH2+]C[C@H](O)CN1C(=O)c2ccccc2C1=O)c1ccncc1	ZINC000819074929	943430257	/nfs/dbraw/zinc/43/02/57/943430257.db2.gz	WOFUCPFPZWMMGY-MAUKXSAKSA-N	1	0	351.406	1.946	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(C)n(C)n3)C2)nn1	ZINC001086825203	943442124	/nfs/dbraw/zinc/44/21/24/943442124.db2.gz	XNUJPASKDLPIEA-JKSUJKDBSA-N	1	0	371.489	1.584	20	30		FDEDRO
C[Si](C)(C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1	ZINC000819235903	943475625	/nfs/dbraw/zinc/47/56/25/943475625.db2.gz	YZTSFGCAVLHXJS-UHFFFAOYSA-N	1	0	359.527	1.471	20	30		FDEDRO
C[C@@H]1COCCN1CCNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C	ZINC000819242180	943478791	/nfs/dbraw/zinc/47/87/91/943478791.db2.gz	CAAAJJMYKZNGPG-CABCVRRESA-N	1	0	368.478	1.410	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)cc1	ZINC000819224134	943495009	/nfs/dbraw/zinc/49/50/09/943495009.db2.gz	XAOKFWYICOUYQV-RBUKOAKNSA-N	1	0	350.422	1.767	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]C[C@]1(COC)CCCN1C(=O)OC(C)(C)C	ZINC000819309152	943513145	/nfs/dbraw/zinc/51/31/45/943513145.db2.gz	LUNYRUJLPBPMIQ-SFHVURJKSA-N	1	0	353.463	1.132	20	30		FDEDRO
CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+][C@@H]1CCc2cc(C#N)ccc21	ZINC000819270846	943520773	/nfs/dbraw/zinc/52/07/73/943520773.db2.gz	JMXBVOSUXRIAME-MRXNPFEDSA-N	1	0	364.467	1.892	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1	ZINC000819321324	943549084	/nfs/dbraw/zinc/54/90/84/943549084.db2.gz	KZSMJQZAAOFVKE-UHFFFAOYSA-N	1	0	368.437	1.285	20	30		FDEDRO
C=CCn1cc(CNC(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)nn1	ZINC000819606813	943659048	/nfs/dbraw/zinc/65/90/48/943659048.db2.gz	UFWUEFRZBKPJPN-YFHOEESVSA-N	1	0	355.442	1.734	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)ccc1F	ZINC000820503940	944090000	/nfs/dbraw/zinc/09/00/00/944090000.db2.gz	OTNAXZSYQIEHIY-SWLSCSKDSA-N	1	0	369.462	1.455	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1cc(Br)cn2ncnc12	ZINC000820687804	944155489	/nfs/dbraw/zinc/15/54/89/944155489.db2.gz	ANBXLFUGGLZZSF-UHFFFAOYSA-N	1	0	350.220	1.177	20	30		FDEDRO
CC(=O)N1C[C@@H]2C[N@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C[C@@H]2C1	ZINC000821328029	944420383	/nfs/dbraw/zinc/42/03/83/944420383.db2.gz	BMNGUBQBWAJESE-RYQLBKOJSA-N	1	0	354.454	1.732	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[N@@H+](CC)[C@H](C)C2)s1	ZINC000821301204	944430815	/nfs/dbraw/zinc/43/08/15/944430815.db2.gz	KORRUQHGVZYIKG-CYBMUJFWSA-N	1	0	371.528	1.308	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)s1	ZINC000821528044	944540972	/nfs/dbraw/zinc/54/09/72/944540972.db2.gz	PMFRRHUOTMWVFE-QWHCGFSZSA-N	1	0	371.528	1.306	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3cnc(C)n3C2)C1	ZINC001195640561	971103429	/nfs/dbraw/zinc/10/34/29/971103429.db2.gz	GKMDALAJGIUYEU-QXAKKESOSA-N	1	0	360.502	1.662	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccoc2CC(N)=O)C1	ZINC001195647287	971111897	/nfs/dbraw/zinc/11/18/97/971111897.db2.gz	FZWZZRFLIBXXRU-HUUCEWRRSA-N	1	0	351.447	1.053	20	30		FDEDRO
COC(=O)c1ccc(C(=[NH2+])Nc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)cc1	ZINC001170989123	945037111	/nfs/dbraw/zinc/03/71/11/945037111.db2.gz	JXXRCEIDFARLTM-LJQANCHMSA-N	1	0	366.377	1.565	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000823650249	945889736	/nfs/dbraw/zinc/88/97/36/945889736.db2.gz	UTJRCMDWKMNZAH-QGZVFWFLSA-N	1	0	358.486	1.776	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C)[NH+]1CCCCC1	ZINC001090721429	945970575	/nfs/dbraw/zinc/97/05/75/945970575.db2.gz	OHXVFEZXSNNRQM-SUMDDJOVSA-N	1	0	370.501	1.800	20	30		FDEDRO
Cc1nn(C)c(N2CCOCC2)c1C[NH2+]Cc1cccc(OCC#N)c1	ZINC000113347029	945977244	/nfs/dbraw/zinc/97/72/44/945977244.db2.gz	NSDOJKZNMKXULN-UHFFFAOYSA-N	1	0	355.442	1.757	20	30		FDEDRO
O=C(NCC[NH2+]Cc1ccc2c(c1)OCCCCO2)C1N=CC=CC1=O	ZINC000823860723	946053782	/nfs/dbraw/zinc/05/37/82/946053782.db2.gz	JFSSQUZOQRRAGC-VHEBQXMUSA-N	1	0	357.410	1.854	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)n1	ZINC001090751484	946253010	/nfs/dbraw/zinc/25/30/10/946253010.db2.gz	ZJEZLWABRBMZKP-DDUZABMNSA-N	1	0	358.490	1.438	20	30		FDEDRO
C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H](C)C[NH+]1CCOCC1	ZINC000823909663	946514232	/nfs/dbraw/zinc/51/42/32/946514232.db2.gz	MSCOPCAZDIXNOE-HNNXBMFYSA-N	1	0	370.457	1.350	20	30		FDEDRO
CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(CC(=O)NCCC#N)C2)ccn1	ZINC000856599347	971245080	/nfs/dbraw/zinc/24/50/80/971245080.db2.gz	OPQSZQMEVCQMAS-SFHVURJKSA-N	1	0	359.474	1.405	20	30		FDEDRO
C[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1	ZINC001090787809	946620493	/nfs/dbraw/zinc/62/04/93/946620493.db2.gz	ADYJETQTXXFIFM-CRAIPNDOSA-N	1	0	364.453	1.816	20	30		FDEDRO
C#CCCCCC(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1	ZINC001573283349	946712989	/nfs/dbraw/zinc/71/29/89/946712989.db2.gz	HRJMNCVHYSILLH-INIZCTEOSA-N	1	0	353.430	1.184	20	30		FDEDRO
C#CCC[N@@H+](CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CCCCCC1	ZINC001573283893	946731192	/nfs/dbraw/zinc/73/11/92/946731192.db2.gz	ZYNSNOGEIHOUCG-UHFFFAOYSA-N	1	0	369.473	1.973	20	30		FDEDRO
N#Cc1cnn(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)c1N	ZINC000824818972	946792032	/nfs/dbraw/zinc/79/20/32/946792032.db2.gz	ZFDNZBLOLPHHRL-QFBILLFUSA-N	1	0	351.410	1.516	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CCCCNc1ncc(F)c(C2CC[NH2+]CC2)n1	ZINC001171067520	946799695	/nfs/dbraw/zinc/79/96/95/946799695.db2.gz	IPZRKMZBVHPCPN-HNNXBMFYSA-N	1	0	365.453	1.721	20	30		FDEDRO
C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cccc(-c2nn[nH]n2)c1	ZINC000824598792	946848846	/nfs/dbraw/zinc/84/88/46/946848846.db2.gz	IWEJAAAWHRPOAT-NRYCMEERSA-N	1	0	353.386	1.044	20	30		FDEDRO
C=C(Br)C[NH2+][C@H](C)CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573291189	946915762	/nfs/dbraw/zinc/91/57/62/946915762.db2.gz	ADEGCFVVPBGLEP-SECBINFHSA-N	1	0	368.239	1.201	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H](CC)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001573292601	946935567	/nfs/dbraw/zinc/93/55/67/946935567.db2.gz	YQYUBZKWPZDVHP-VIFPVBQESA-N	1	0	368.239	1.201	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)NC1CC(CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1	ZINC001573293261	946954015	/nfs/dbraw/zinc/95/40/15/946954015.db2.gz	QBVIZSPFUHHDCH-UHFFFAOYSA-N	1	0	369.473	1.901	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)CC(C)(C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1	ZINC001573560826	946957284	/nfs/dbraw/zinc/95/72/84/946957284.db2.gz	GVGDQTJIKZEFGX-LLVKDONJSA-N	1	0	361.475	1.662	20	30		FDEDRO
C=C(C)CCC(=O)NCC1([NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)CC1	ZINC001573294154	946981092	/nfs/dbraw/zinc/98/10/92/946981092.db2.gz	WPEXXVZWZZZJLN-UHFFFAOYSA-N	1	0	370.457	1.970	20	30		FDEDRO
CC(C)N(CC[N@H+](C)Cc1ccccc1-c1nn[nH]n1)C(=O)[C@H](C)C#N	ZINC001573563030	946981608	/nfs/dbraw/zinc/98/16/08/946981608.db2.gz	ZBMSNYVBAIARRN-CQSZACIVSA-N	1	0	355.446	1.695	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C(C)(C)C1	ZINC001573563023	946981644	/nfs/dbraw/zinc/98/16/44/946981644.db2.gz	YWVDLCBEIVYCSA-ABAIWWIYSA-N	1	0	371.420	1.492	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H](C[N@H+](C)Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573564072	946987601	/nfs/dbraw/zinc/98/76/01/946987601.db2.gz	FKXUKPCRDCPBQS-OLZOCXBDSA-N	1	0	371.420	1.446	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573563963	946988478	/nfs/dbraw/zinc/98/84/78/946988478.db2.gz	DCUMQGOEQIWMIA-SGTLLEGYSA-N	1	0	371.420	1.494	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1	ZINC001573294832	947000265	/nfs/dbraw/zinc/00/02/65/947000265.db2.gz	HYNPHEQSYOKTAA-NSHDSACASA-N	1	0	363.853	1.778	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1-c1nn[nH]n1	ZINC001573565178	947001151	/nfs/dbraw/zinc/00/11/51/947001151.db2.gz	OAGZYXOEFRXSMR-AEGPPILISA-N	1	0	351.414	1.202	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC([C@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)CC1	ZINC001573565272	947005925	/nfs/dbraw/zinc/00/59/25/947005925.db2.gz	PSWQPKNESDABQY-KBPBESRZSA-N	1	0	367.457	1.743	20	30		FDEDRO
C[C@@H](COCC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1C)[NH+]1CCCC1	ZINC001090823451	947012912	/nfs/dbraw/zinc/01/29/12/947012912.db2.gz	XCJIEIPXKKVOIE-SOLBZPMBSA-N	1	0	371.485	1.395	20	30		FDEDRO
C=C(Cl)C[N@@H+](CCCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C(C)C	ZINC001573295311	947013712	/nfs/dbraw/zinc/01/37/12/947013712.db2.gz	OGLZUKMCHNNTSW-UHFFFAOYSA-N	1	0	351.842	1.778	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC(C)([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1	ZINC001573566069	947021311	/nfs/dbraw/zinc/02/13/11/947021311.db2.gz	ZWTMNJSKUNQTSE-LBPRGKRZSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1	ZINC001573566870	947033280	/nfs/dbraw/zinc/03/32/80/947033280.db2.gz	HBNKZAJZLKWIGY-STQMWFEESA-N	1	0	373.486	1.901	20	30		FDEDRO
CON=C(C(=O)N1CCC(C)([NH+]2CCCC2)CC1)c1csc(N)n1	ZINC000825225387	947063154	/nfs/dbraw/zinc/06/31/54/947063154.db2.gz	CTIJYHPFJYEZCK-UHFFFAOYSA-N	1	0	351.476	1.553	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573568017	947063630	/nfs/dbraw/zinc/06/36/30/947063630.db2.gz	WMLJMNXXJBVCIM-OLZOCXBDSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CN(C)c1cc[nH+]cc1-c1nn[nH]n1	ZINC001573568186	947066968	/nfs/dbraw/zinc/06/69/68/947066968.db2.gz	YZCXEGSBQZWPEE-QWHCGFSZSA-N	1	0	354.418	1.239	20	30		FDEDRO
C[C@@H](NC(=O)[C@@H](C)C#N)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573570037	947080812	/nfs/dbraw/zinc/08/08/12/947080812.db2.gz	IQOLFFTTZCFRIX-WDEREUQCSA-N	1	0	357.393	1.102	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C[C@@H]2C1	ZINC001573570032	947081933	/nfs/dbraw/zinc/08/19/33/947081933.db2.gz	IQIBRYBLSUYREN-DFBGVHRSSA-N	1	0	369.404	1.056	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H]1CC12CC[NH+](Cc1cccc(-c3nn[nH]n3)c1)CC2	ZINC001573571736	947102518	/nfs/dbraw/zinc/10/25/18/947102518.db2.gz	AKSKOVPTSTUOIT-BBRMVZONSA-N	1	0	365.441	1.497	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(C)(C)C	ZINC001573572266	947111218	/nfs/dbraw/zinc/11/12/18/947111218.db2.gz	GLIWJBZLZAOAGV-WFASDCNBSA-N	1	0	355.446	1.647	20	30		FDEDRO
C[C@H](C#N)C(=O)NC1(C)CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1	ZINC001573572448	947113484	/nfs/dbraw/zinc/11/34/84/947113484.db2.gz	HXYLSFZJUDVWCS-GFCCVEGCSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC(C)(C)C1	ZINC001573573488	947121782	/nfs/dbraw/zinc/12/17/82/947121782.db2.gz	OCEZPPJLMSJAPA-CHWSQXEVSA-N	1	0	368.445	1.533	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1ccc(-c3nn[nH]n3)s1)CC2	ZINC001573573941	947125868	/nfs/dbraw/zinc/12/58/68/947125868.db2.gz	PXCQIRJQPLNUCK-HYSWKAIVSA-N	1	0	371.470	1.701	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C1CC1	ZINC001573578010	947179091	/nfs/dbraw/zinc/17/90/91/947179091.db2.gz	XEIGYTKXCXKQKK-MEBBXXQBSA-N	1	0	357.393	1.150	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573309533	947202374	/nfs/dbraw/zinc/20/23/74/947202374.db2.gz	KEBBTZKAEYVHMP-LPHOPBHVSA-N	1	0	370.457	1.274	20	30		FDEDRO
CC(C)[C@@H](CCNC(=O)[C@@H](C)C#N)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F	ZINC001573584437	947220428	/nfs/dbraw/zinc/22/04/28/947220428.db2.gz	VZFGLSBCORPKAL-BLLLJJGKSA-N	1	0	373.436	1.786	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@H]1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)CC1	ZINC001573584765	947231815	/nfs/dbraw/zinc/23/18/15/947231815.db2.gz	DLCWTZYIPVFTMH-IHRRRGAJSA-N	1	0	368.445	1.178	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H](C)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1	ZINC001573585329	947253188	/nfs/dbraw/zinc/25/31/88/947253188.db2.gz	ORVTWHHGGHZBOO-NEPJUHHUSA-N	1	0	354.418	1.142	20	30		FDEDRO
C=CCC(CC=C)C(=O)N(C)CCN(C)c1cc[nH+]cc1-c1nn[nH]n1	ZINC001573320345	947348827	/nfs/dbraw/zinc/34/88/27/947348827.db2.gz	WJZMMJMTXSBQKA-UHFFFAOYSA-N	1	0	355.446	1.925	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090868113	947373940	/nfs/dbraw/zinc/37/39/40/947373940.db2.gz	AYRKYOKPDQRTAK-BPQIPLTHSA-N	1	0	357.454	1.291	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@H]2COC(=O)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090868466	947378470	/nfs/dbraw/zinc/37/84/70/947378470.db2.gz	HXMWEOXZSSQBDR-FHLIZLRMSA-N	1	0	358.438	1.718	20	30		FDEDRO
N#CCCN(Cc1cccnc1)C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1	ZINC001143661250	947407956	/nfs/dbraw/zinc/40/79/56/947407956.db2.gz	AATBBYWDYIVGBZ-PMACEKPBSA-N	1	0	364.449	1.959	20	30		FDEDRO
C=CCCC(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CC1	ZINC001573328561	947409284	/nfs/dbraw/zinc/40/92/84/947409284.db2.gz	YLWROXOQNHVXCZ-MRXNPFEDSA-N	1	0	358.421	1.956	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1c1ccc(OC)cc1	ZINC001090870866	947415316	/nfs/dbraw/zinc/41/53/16/947415316.db2.gz	PHZLHEWYNBZRPF-ZWKOTPCHSA-N	1	0	355.442	1.447	20	30		FDEDRO
C=CCCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@H](C)C1	ZINC001573329024	947415742	/nfs/dbraw/zinc/41/57/42/947415742.db2.gz	GNIJWMXCCYUTBK-IUODEOHRSA-N	1	0	355.446	1.607	20	30		FDEDRO
C=CCCCC(=O)N1CC[C@@H](C)[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573334389	947454988	/nfs/dbraw/zinc/45/49/88/947454988.db2.gz	MPPDTNJSOVGKQF-HUUCEWRRSA-N	1	0	369.473	1.936	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(CC(=O)N(C)[C@H](C)CC(C)C)C[C@H]2O)C1	ZINC001196019865	971385852	/nfs/dbraw/zinc/38/58/52/971385852.db2.gz	IUQXCFWNCUAZDW-BRWVUGGUSA-N	1	0	365.518	1.397	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccnnc2C)C[C@H]1c1ccc(OC)cc1	ZINC001090875668	947494567	/nfs/dbraw/zinc/49/45/67/947494567.db2.gz	CQODUZWLWMEKDH-RBUKOAKNSA-N	1	0	350.422	1.625	20	30		FDEDRO
O=C(NCC[NH2+]Cc1ccnn1CCc1ccccc1)C1N=CC=CC1=O	ZINC000856770715	971389053	/nfs/dbraw/zinc/38/90/53/971389053.db2.gz	KWBCJKVAHOTNAZ-FMQUCBEESA-N	1	0	365.437	1.742	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@H]1c1ccc(OC)cc1	ZINC001090878092	947545878	/nfs/dbraw/zinc/54/58/78/947545878.db2.gz	HBGFPFUJAJUHFC-KSZLIROESA-N	1	0	357.454	1.386	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)[C@@H](C)C1	ZINC001573343325	947555904	/nfs/dbraw/zinc/55/59/04/947555904.db2.gz	MWGKPZUECVKRKI-YOEHRIQHSA-N	1	0	370.457	1.396	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)[C@H]1C	ZINC001573344213	947568499	/nfs/dbraw/zinc/56/84/99/947568499.db2.gz	ZIYDDHXNUDSEQN-CJNGLKHVSA-N	1	0	356.430	1.148	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1c1ccc(OC)cc1	ZINC001090880604	947592322	/nfs/dbraw/zinc/59/23/22/947592322.db2.gz	AVMDUCRGBRRBEO-WAOWUJCRSA-N	1	0	371.481	1.682	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2NCC#N)cc1	ZINC001090885608	947662725	/nfs/dbraw/zinc/66/27/25/947662725.db2.gz	YHKUREXNBXUHDB-VQTJNVASSA-N	1	0	370.497	1.979	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C1	ZINC001573359032	947676192	/nfs/dbraw/zinc/67/61/92/947676192.db2.gz	UUZSYNXGTJJDLK-MELADBBJSA-N	1	0	353.430	1.048	20	30		FDEDRO
CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N	ZINC000844193206	947841723	/nfs/dbraw/zinc/84/17/23/947841723.db2.gz	AOMDHYACMIFWKX-RDTXWAMCSA-N	1	0	360.421	1.960	20	30		FDEDRO
CO[C@@H]1CN(c2cc(C)ncc2C#N)C[C@H]1NC(=O)CCCC[NH+](C)C	ZINC001090902640	947864713	/nfs/dbraw/zinc/86/47/13/947864713.db2.gz	ILJGTCUWOOLYCD-SJLPKXTDSA-N	1	0	359.474	1.313	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000964005501	1013080714	/nfs/dbraw/zinc/08/07/14/1013080714.db2.gz	XCFGFQZRMDMXJV-ZKXLYKBJSA-N	1	0	363.502	1.463	20	30		FDEDRO
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC(CO)([NH2+]CC2CC2)CC1	ZINC000844335553	947973589	/nfs/dbraw/zinc/97/35/89/947973589.db2.gz	RFYJRZKCOUJAOB-GOSISDBHSA-N	1	0	357.454	1.599	20	30		FDEDRO
CO[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C	ZINC001090949386	948085807	/nfs/dbraw/zinc/08/58/07/948085807.db2.gz	MJYNKSANQQDRIN-JFIYKMOQSA-N	1	0	357.458	1.147	20	30		FDEDRO
N#Cc1cncc(C[N@H+]2C[C@@H]3COC[C@@H](CC(=O)NC4CCC4)[C@@H]3C2)c1	ZINC001144080274	948200283	/nfs/dbraw/zinc/20/02/83/948200283.db2.gz	HCOXJAZKIDTWSE-LMMKCTJWSA-N	1	0	354.454	1.706	20	30		FDEDRO
N#Cc1cncc(C[N@H+]2C[C@H](C(=O)N3CCCC3)C3(C2)CCOCC3)c1	ZINC001144080737	948203077	/nfs/dbraw/zinc/20/30/77/948203077.db2.gz	WYYKKLFJPCXWEI-GOSISDBHSA-N	1	0	354.454	1.804	20	30		FDEDRO
CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)Nc1ccnn1CC[NH+](C)C	ZINC000844688656	948284690	/nfs/dbraw/zinc/28/46/90/948284690.db2.gz	QDYOELIFUBLPTQ-MRXNPFEDSA-N	1	0	356.430	1.514	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1Nc1cncc(C#N)n1	ZINC001091010007	948436467	/nfs/dbraw/zinc/43/64/67/948436467.db2.gz	NGYFJWFGZHYMAH-RHSMWYFYSA-N	1	0	365.441	1.529	20	30		FDEDRO
Cc1cc(N[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]2C)c(C#N)cn1	ZINC001091024195	948516289	/nfs/dbraw/zinc/51/62/89/948516289.db2.gz	AZHMMVOPWZESAQ-RDTXWAMCSA-N	1	0	357.502	1.920	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2CN(c3ccncc3C#N)C[C@@H]21	ZINC001091048140	948644587	/nfs/dbraw/zinc/64/45/87/948644587.db2.gz	PWIHAGOKIVENSS-ZWKOTPCHSA-N	1	0	357.458	1.101	20	30		FDEDRO
Cc1nc(N2C[C@H]3OCCN(C(=O)CCCC[NH+](C)C)[C@H]3C2)ccc1C#N	ZINC001091048172	948645137	/nfs/dbraw/zinc/64/51/37/948645137.db2.gz	RGYYZTOVXQBMBH-ZWKOTPCHSA-N	1	0	371.485	1.410	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2CN(c3nc(C)ccc3C#N)C[C@@H]21	ZINC001091048398	948646346	/nfs/dbraw/zinc/64/63/46/948646346.db2.gz	WAVFRZUUQJAZQP-ZWKOTPCHSA-N	1	0	371.485	1.410	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc1nc(C#N)cs1	ZINC000845238235	948927295	/nfs/dbraw/zinc/92/72/95/948927295.db2.gz	FQDTZHKOFXVHPZ-GFCCVEGCSA-N	1	0	368.459	1.903	20	30		FDEDRO
N#Cc1ccccc1NC(=S)N1CCC([NH+]2CCC(C(N)=O)CC2)CC1	ZINC001196311215	971597185	/nfs/dbraw/zinc/59/71/85/971597185.db2.gz	BSTUHDSVUZCQPA-UHFFFAOYSA-N	1	0	371.510	1.917	20	30		FDEDRO
C#C[C@@H]1COCCN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000845748319	949884231	/nfs/dbraw/zinc/88/42/31/949884231.db2.gz	ZJRPENJFSAPAJD-LJQANCHMSA-N	1	0	352.438	1.566	20	30		FDEDRO
C#Cc1ccc(CN2CCOC[C@]3(CN(C(=O)C(C)C)CCO3)C2)cc1	ZINC001144573235	949955799	/nfs/dbraw/zinc/95/57/99/949955799.db2.gz	DVNZLRHXWGZHDO-OAQYLSRUSA-N	1	0	356.466	1.754	20	30		FDEDRO
CC(C)C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H](C)C#N	ZINC001574151589	950082686	/nfs/dbraw/zinc/08/26/86/950082686.db2.gz	VWJKNKDWPCDBHC-WFASDCNBSA-N	1	0	373.436	1.786	20	30		FDEDRO
CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@H](C)C#N	ZINC001574151864	950097771	/nfs/dbraw/zinc/09/77/71/950097771.db2.gz	ZTKFVOQJRCPUMA-CZUORRHYSA-N	1	0	355.446	1.647	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCCC[C@H]1CCNc1cc[nH+]cc1-c1nn[nH]n1	ZINC001570967844	950228672	/nfs/dbraw/zinc/22/86/72/950228672.db2.gz	SPNBGDWUNYIELI-OLZOCXBDSA-N	1	0	354.418	1.026	20	30		FDEDRO
C[C@H](CNC(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1	ZINC001574983727	950238306	/nfs/dbraw/zinc/23/83/06/950238306.db2.gz	RIOCYYMNEUBADI-SECBINFHSA-N	1	0	356.415	1.036	20	30		FDEDRO
C#C[C@H](NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)[C@H]1CCCO1	ZINC000845957196	950289118	/nfs/dbraw/zinc/28/91/18/950289118.db2.gz	RBFIEMWSGMOXPP-RRFJBIMHSA-N	1	0	353.463	1.128	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCCc2ccc(F)cc2)C1	ZINC001196415816	971684827	/nfs/dbraw/zinc/68/48/27/971684827.db2.gz	NTDVTDJLDMKGSI-RTBURBONSA-N	1	0	364.461	1.902	20	30		FDEDRO
C[N@H+](CC(=O)N1CC[C@H]2CCN(c3ccnc(C#N)n3)[C@H]2C1)CC(C)(C)C	ZINC001091229726	951119121	/nfs/dbraw/zinc/11/91/21/951119121.db2.gz	BLHYOFPAFUWUBG-HOTGVXAUSA-N	1	0	370.501	1.753	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C2CC(CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)s1	ZINC001091237242	951186879	/nfs/dbraw/zinc/18/68/79/951186879.db2.gz	VKFRGTKLGGOCES-DKNRTOFZSA-N	1	0	360.483	1.506	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ccc(C(N)=O)cc2)C1	ZINC001091238092	951190654	/nfs/dbraw/zinc/19/06/54/951190654.db2.gz	IXKVGJNCBMBSKX-SYNTWQANSA-N	1	0	357.454	1.361	20	30		FDEDRO
CC(=O)N1CC2(C1)C[N@H+]([C@@H](C)Cc1cccc(C#N)c1)C[C@@H]2C(=O)N(C)C	ZINC001171231459	951271097	/nfs/dbraw/zinc/27/10/97/951271097.db2.gz	JYMBEFXJMIZGRB-HNAYVOBHSA-N	1	0	368.481	1.358	20	30		FDEDRO
CCc1noc([C@@H]2CCCN(C(=O)[C@@H]([NH3+])Cc3ccccc3C#N)C2)n1	ZINC001160741322	951409556	/nfs/dbraw/zinc/40/95/56/951409556.db2.gz	HTAFCDGHWBSMCP-CVEARBPZSA-N	1	0	353.426	1.780	20	30		FDEDRO
Cc1c(Br)c2ccccc2n1CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N	ZINC000846676002	951439674	/nfs/dbraw/zinc/43/96/74/951439674.db2.gz	AQAUUWHWIKRXIL-DGCLKSJQSA-N	1	0	361.243	1.940	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)C(C)(C)C[NH+](C)C	ZINC000846731859	951507126	/nfs/dbraw/zinc/50/71/26/951507126.db2.gz	CRTHOEIVNRZNSP-RHSMWYFYSA-N	1	0	374.485	1.143	20	30		FDEDRO
CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1	ZINC000846732739	951508218	/nfs/dbraw/zinc/50/82/18/951508218.db2.gz	QQEFKDGPLABPKB-MSOLQXFVSA-N	1	0	372.469	1.041	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)C(C)(C)C[NH+](C)C	ZINC000846731861	951508471	/nfs/dbraw/zinc/50/84/71/951508471.db2.gz	CRTHOEIVNRZNSP-WMLDXEAASA-N	1	0	374.485	1.143	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@]34C[C@H]3COC4)c2)C1	ZINC001091400628	951572345	/nfs/dbraw/zinc/57/23/45/951572345.db2.gz	MGBQVQHEAJQVDY-QSFXBCCZSA-N	1	0	357.454	1.764	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@H]3OCC[C@H]3C(C)C)c2)C1	ZINC001091401257	951576341	/nfs/dbraw/zinc/57/63/41/951576341.db2.gz	XBRKXQKAJWERHR-AABGKKOBSA-N	1	0	371.481	1.845	20	30		FDEDRO
N=C(Nc1ccc(OCC[NH+]2CCCC2)nn1)c1ccc(C(N)=O)cc1	ZINC001171252333	951587763	/nfs/dbraw/zinc/58/77/63/951587763.db2.gz	AWRLWPRNHJBNJA-UHFFFAOYSA-N	1	0	354.414	1.087	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+](C)C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)C1=O	ZINC000846893234	951681077	/nfs/dbraw/zinc/68/10/77/951681077.db2.gz	YWNKLTTXVQFFOC-BEFAXECRSA-N	1	0	367.490	1.467	20	30		FDEDRO
N#Cc1cccnc1C(=O)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1	ZINC001196551240	971771388	/nfs/dbraw/zinc/77/13/88/971771388.db2.gz	CRLKBCKHBFDBGC-AUUYWEPGSA-N	1	0	367.384	1.655	20	30		FDEDRO
C[C@]12CN(C(=O)CN3CCCC3=O)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001091469658	951850554	/nfs/dbraw/zinc/85/05/54/951850554.db2.gz	AQYJTMZBFRCWKZ-NQIIRXRSSA-N	1	0	366.465	1.461	20	30		FDEDRO
C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]Cc1ccc(C#N)cc1	ZINC001575101503	951859228	/nfs/dbraw/zinc/85/92/28/951859228.db2.gz	FWVGZGBAYPZNAS-LBPRGKRZSA-N	1	0	364.413	1.222	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3COCCO3)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001091503564	951893293	/nfs/dbraw/zinc/89/32/93/951893293.db2.gz	HEPBUCPSQPRFKG-SBHAEUEKSA-N	1	0	354.450	1.234	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)/C=C(\C)C4CC4)C[C@]3(C)C2)C1=O	ZINC001091516422	951919817	/nfs/dbraw/zinc/91/98/17/951919817.db2.gz	XPCMISJNAHGDGH-ZJMKAVFLSA-N	1	0	357.498	1.910	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cscn4)C[C@]3(C)C2)C1=O	ZINC001091536373	951963326	/nfs/dbraw/zinc/96/33/26/951963326.db2.gz	UMCASPPUNVJTHR-SIIHOXLZSA-N	1	0	360.483	1.324	20	30		FDEDRO
Cc1nsc(N[C@@H]2CC[C@H](CNC(=O)COCC[NH+](C)C)C2)c1C#N	ZINC001091593576	952185672	/nfs/dbraw/zinc/18/56/72/952185672.db2.gz	LSKQUZXRMADSRY-UONOGXRCSA-N	1	0	365.503	1.598	20	30		FDEDRO
C[C@]12CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]1C[N@H+](CC(=O)N1CCCCC1)C2	ZINC001091607875	952260241	/nfs/dbraw/zinc/26/02/41/952260241.db2.gz	YUFWDPJVFUVRNZ-UZLBHIALSA-N	1	0	369.469	1.293	20	30		FDEDRO
Cc1cc(C#N)nc(N[C@@H]2CC[C@H](CNC(=O)C[N@H+]3CCC[C@@H]3C)C2)n1	ZINC001091632132	952400411	/nfs/dbraw/zinc/40/04/11/952400411.db2.gz	HONGWTWCWKWMCM-HRCADAONSA-N	1	0	356.474	1.838	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCOCC(F)F)C2	ZINC001147582933	952443286	/nfs/dbraw/zinc/44/32/86/952443286.db2.gz	JUTHWDIQXNXCJR-CABCVRRESA-N	1	0	358.429	1.784	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@H]3COC(=O)N3)C[C@H]1C[N@H+](CC#Cc1ccc(F)cc1)C2	ZINC001091641444	952447955	/nfs/dbraw/zinc/44/79/55/952447955.db2.gz	RIGRLDHAWLDBSO-SYNHAJSKSA-N	1	0	371.412	1.066	20	30		FDEDRO
CC[NH+](CC)CCCNC(=S)Nc1c(C#N)cnn1-c1ncccn1	ZINC001196655893	971843053	/nfs/dbraw/zinc/84/30/53/971843053.db2.gz	SWSDRCIVWMECQN-UHFFFAOYSA-N	1	0	358.475	1.552	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1CNc1ncccc1C#N	ZINC001091667138	952554073	/nfs/dbraw/zinc/55/40/73/952554073.db2.gz	IGJHSRXAWHMVKK-IAGOWNOFSA-N	1	0	359.474	1.569	20	30		FDEDRO
C[C@]12CN(C(=O)CO[C@H]3CCOC3)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001091669623	952574125	/nfs/dbraw/zinc/57/41/25/952574125.db2.gz	SOMNBHKDBWGIFS-DYXWJJEUSA-N	1	0	369.465	1.644	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3coc(S(C)(=O)=O)c3)C[C@]2(C)C1	ZINC001091686349	952640198	/nfs/dbraw/zinc/64/01/98/952640198.db2.gz	CVRGPTPVZZUVFF-PBHICJAKSA-N	1	0	352.456	1.653	20	30		FDEDRO
C[C@]12CN(C(=O)[C@]34C[C@H]3COC4)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001091687973	952642364	/nfs/dbraw/zinc/64/23/64/952642364.db2.gz	LEMISZFXMWGHOX-YHELAOLJSA-N	1	0	351.450	1.875	20	30		FDEDRO
C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000772986978	952654954	/nfs/dbraw/zinc/65/49/54/952654954.db2.gz	XLERFJHADJEZJC-DNTCVELPSA-N	1	0	370.453	1.240	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COCCN1C(C)=O)C2	ZINC001110121072	952662232	/nfs/dbraw/zinc/66/22/32/952662232.db2.gz	KCYLQBAECPNNGD-XWSJACJDSA-N	1	0	363.502	1.702	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCN(CC)C3=O)C[C@@]2(C)C1	ZINC001091740968	952769797	/nfs/dbraw/zinc/76/97/97/952769797.db2.gz	TYRJYSLIFOVSHH-BLIXFSHQSA-N	1	0	370.497	1.689	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3nccnc3C)C[C@@]2(C)C1	ZINC001091749610	952789169	/nfs/dbraw/zinc/78/91/69/952789169.db2.gz	NUMZTHKWTVRGLA-LMNJBCLMSA-N	1	0	367.497	1.163	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc4c(c3)NC(=O)CO4)C[C@]2(C)C1	ZINC001091756449	952823713	/nfs/dbraw/zinc/82/37/13/952823713.db2.gz	LNTQAURDEPIIJI-QRWLVFNGSA-N	1	0	355.438	1.988	20	30		FDEDRO
CC(=O)N1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)C1	ZINC001086864082	952890368	/nfs/dbraw/zinc/89/03/68/952890368.db2.gz	BTRDVUKARJLVKS-PWIZWCRZSA-N	1	0	368.481	1.801	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3[nH]cnc3CC)C2)C1=O	ZINC001086865367	952895391	/nfs/dbraw/zinc/89/53/91/952895391.db2.gz	OVWLEHOKFMUHHQ-LZWOXQAQSA-N	1	0	359.474	1.247	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccn(C)n3)C2)cc1C#N	ZINC001086875913	952927384	/nfs/dbraw/zinc/92/73/84/952927384.db2.gz	PJKRCLPAAODBAS-DOTOQJQBSA-N	1	0	367.453	1.989	20	30		FDEDRO
CN1C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)CCC1=O	ZINC001086883770	952936305	/nfs/dbraw/zinc/93/63/05/952936305.db2.gz	WBLDLTOIPQMWLB-IPMKNSEASA-N	1	0	368.481	1.801	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2c2cnn(C)c2)cn1	ZINC001086970775	952972285	/nfs/dbraw/zinc/97/22/85/952972285.db2.gz	HRSIDLCBSUDFCR-XOKHGSTOSA-N	1	0	368.441	1.068	20	30		FDEDRO
Cc1csc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2c2cnn(C)c2)n1	ZINC001086971072	952973252	/nfs/dbraw/zinc/97/32/52/952973252.db2.gz	WBLWVKSOYPSJNO-BYCMXARLSA-N	1	0	358.471	1.429	20	30		FDEDRO
Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1c1cnn(C)c1	ZINC001086971114	952973338	/nfs/dbraw/zinc/97/33/38/952973338.db2.gz	YDYHFHVNWWZACA-FHLIZLRMSA-N	1	0	352.442	1.367	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2[NH2+]C[C@@H]2CCCOC2)cn1	ZINC001086978231	952989913	/nfs/dbraw/zinc/98/99/13/952989913.db2.gz	LHHVHSBXXHTMNR-YTQUADARSA-N	1	0	356.470	1.144	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ncnc3sccc32)C[C@H]1c1cnn(C)c1	ZINC001086979567	952993095	/nfs/dbraw/zinc/99/30/95/952993095.db2.gz	HKUXFXYEHFQGBA-LSDHHAIUSA-N	1	0	366.450	1.256	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ncc(C)cc2OC)C[C@H]1c1cnn(C)c1	ZINC001086982938	952996074	/nfs/dbraw/zinc/99/60/74/952996074.db2.gz	MMFOINHGHVLEAK-DLBZAZTESA-N	1	0	369.469	1.906	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2cnccc2C)C[C@H]1c1cnn(C)c1	ZINC001086982807	952996077	/nfs/dbraw/zinc/99/60/77/952996077.db2.gz	FWXZKBMVCNSGIR-RBUKOAKNSA-N	1	0	353.470	1.826	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC(C)C)C1	ZINC001086982955	952996479	/nfs/dbraw/zinc/99/64/79/952996479.db2.gz	NMDXNAGRCPEKPO-OTWHNJEPSA-N	1	0	357.502	1.058	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2snnc2C2CC2)C[C@H]1c1cnn(C)c1	ZINC001086983488	952997273	/nfs/dbraw/zinc/99/72/73/952997273.db2.gz	SEPIDJXSQDABSG-UONOGXRCSA-N	1	0	358.471	1.533	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2c(C)noc2C)C[C@H]1c1cnn(C)c1	ZINC001086985082	953000437	/nfs/dbraw/zinc/00/04/37/953000437.db2.gz	SWQFRMOQNIBFKX-DOPJRALCSA-N	1	0	369.469	1.736	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCn3nccc32)C[C@H]1c1cnn(C)c1	ZINC001086985173	953001710	/nfs/dbraw/zinc/00/17/10/953001710.db2.gz	XDOZNJRJIVEFNA-YESZJQIVSA-N	1	0	354.458	1.264	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2nc3cnccc3s2)C[C@H]1c1cnn(C)c1	ZINC001086986692	953007590	/nfs/dbraw/zinc/00/75/90/953007590.db2.gz	CVHRGVSWFREFHY-DZGCQCFKSA-N	1	0	368.466	1.809	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ncc3ccccn32)C[C@H]1c1cnn(C)c1	ZINC001086987523	953009869	/nfs/dbraw/zinc/00/98/69/953009869.db2.gz	XADKMXXDRITIPC-ZWKOTPCHSA-N	1	0	364.453	1.842	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nc(Cl)sc2C)C[C@H]1c1cnn(C)c1	ZINC001086987437	953009904	/nfs/dbraw/zinc/00/99/04/953009904.db2.gz	SDDCFUJALDZSKT-QWHCGFSZSA-N	1	0	363.874	1.669	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C(F)F)n(C)n2)C[C@H]1c1cnn(C)c1	ZINC001086987807	953011153	/nfs/dbraw/zinc/01/11/53/953011153.db2.gz	OLXXOXANFHVPQE-GXTWGEPZSA-N	1	0	364.400	1.475	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2OCCc3ccccc32)C[C@H]1c1cnn(C)c1	ZINC001086990009	953016298	/nfs/dbraw/zinc/01/62/98/953016298.db2.gz	FDDNCBLAYDDBQD-XUVXKRRUSA-N	1	0	364.449	1.251	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cncc(OC(C)C)c2)C[C@H]1c1cnn(C)c1	ZINC001086990684	953018401	/nfs/dbraw/zinc/01/84/01/953018401.db2.gz	PLPHCGBWFYNAMH-RBUKOAKNSA-N	1	0	367.453	1.433	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cnn(C)c2)C1	ZINC001086990637	953018581	/nfs/dbraw/zinc/01/85/81/953018581.db2.gz	NDURWOGRSKKJAZ-ZWKOTPCHSA-N	1	0	370.501	1.840	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]C[C@@H]2CCCOC2)C1	ZINC001086991049	953019757	/nfs/dbraw/zinc/01/97/57/953019757.db2.gz	HJVLLFIKUDGHPY-RYQLBKOJSA-N	1	0	360.502	1.943	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2ccc(OC)cn2)C[C@H]1c1cnn(C)c1	ZINC001086993037	953025539	/nfs/dbraw/zinc/02/55/39/953025539.db2.gz	CVTWDADFMLHVDQ-RBUKOAKNSA-N	1	0	369.469	1.527	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3ccc(F)cc32)C[C@H]1c1cnn(C)c1	ZINC001086993714	953027470	/nfs/dbraw/zinc/02/74/70/953027470.db2.gz	ODLKBYAMAWUTHO-GBESFXJTSA-N	1	0	354.429	1.969	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ncccc2OCCC)C[C@H]1c1cnn(C)c1	ZINC001086994508	953027927	/nfs/dbraw/zinc/02/79/27/953027927.db2.gz	GFVWCXKYIIXZPB-DLBZAZTESA-N	1	0	367.453	1.435	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC(C)C)nc2)C[C@H]1c1cnn(C)c1	ZINC001086980939	953031363	/nfs/dbraw/zinc/03/13/63/953031363.db2.gz	FLQRLKHPIJQHPI-ZWKOTPCHSA-N	1	0	369.469	1.986	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)c2C)C[C@H]1c1cnn(C)c1	ZINC001086981007	953031620	/nfs/dbraw/zinc/03/16/20/953031620.db2.gz	JHFVNENFXLFJFR-RBUKOAKNSA-N	1	0	370.501	1.555	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCn2ccccc2=O)C[C@H]1c1cnn(C)c1	ZINC001086981697	953033275	/nfs/dbraw/zinc/03/32/75/953033275.db2.gz	YQYUGVODWBSUQN-ZWKOTPCHSA-N	1	0	369.469	1.132	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2cc(C)on2)C[C@H]1c1cnn(C)c1	ZINC001086996255	953036209	/nfs/dbraw/zinc/03/62/09/953036209.db2.gz	WATKBPVRXFWKSG-ZWKOTPCHSA-N	1	0	357.458	1.809	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccnc(C3CC3)n2)C[C@H]1c1cnn(C)c1	ZINC001087000134	953049366	/nfs/dbraw/zinc/04/93/66/953049366.db2.gz	ICSUQXSMIIQJLV-FUHWJXTLSA-N	1	0	366.469	1.861	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OCC#C)cc2)C[C@H]1c1cnn(C)c1	ZINC001087000636	953050873	/nfs/dbraw/zinc/05/08/73/953050873.db2.gz	HBRKCZHPUHZLKH-VQTJNVASSA-N	1	0	362.433	1.263	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3[nH]c(C)nc3c2)C[C@H]1c1cnn(C)c1	ZINC001087003073	953058962	/nfs/dbraw/zinc/05/89/62/953058962.db2.gz	CVJJONOFIFSCLG-QFBILLFUSA-N	1	0	362.437	1.436	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2scnc2C)C[C@H]1c1cnn(C)c1	ZINC001087004001	953061027	/nfs/dbraw/zinc/06/10/27/953061027.db2.gz	AFCKHBGGEZPWDD-JKSUJKDBSA-N	1	0	357.483	1.335	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc3ccncc32)C[C@H]1c1cnn(C)c1	ZINC001087004152	953061472	/nfs/dbraw/zinc/06/14/72/953061472.db2.gz	JCRMJSSYDGABQS-VQTJNVASSA-N	1	0	359.433	1.799	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cn(CCC)nn2)C[C@H]1c1cnn(C)c1	ZINC001087004363	953062270	/nfs/dbraw/zinc/06/22/70/953062270.db2.gz	VJJRTXSWBIZAAS-JKSUJKDBSA-N	1	0	357.462	1.196	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2nccn3cc(C)nc23)C[C@H]1c1cnn(C)c1	ZINC001087005019	953063642	/nfs/dbraw/zinc/06/36/42/953063642.db2.gz	IIJOWUNFUFDLFN-JKSUJKDBSA-N	1	0	365.441	1.155	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2occ3c2CCCC3)C[C@H]1c1cnn(C)c1	ZINC001087007176	953092222	/nfs/dbraw/zinc/09/22/22/953092222.db2.gz	QUPCAUJODZXCCQ-ZWKOTPCHSA-N	1	0	352.438	1.723	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]C(C)C)C1	ZINC001087007782	953093958	/nfs/dbraw/zinc/09/39/58/953093958.db2.gz	WMSIOEDCAIZDGX-VQTJNVASSA-N	1	0	350.466	1.937	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cccc(OC)c2)C[C@H]1c1cnn(C)c1	ZINC001087011144	953103207	/nfs/dbraw/zinc/10/32/07/953103207.db2.gz	HHBKBEOTIUKWON-RYGJVYDSSA-N	1	0	366.465	1.750	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](OC)C2CCCCC2)C[C@H]1c1cnn(C)c1	ZINC001087012370	953106703	/nfs/dbraw/zinc/10/67/03/953106703.db2.gz	UFIZAJWZIOHAOG-IPMKNSEASA-N	1	0	358.486	1.533	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1nnc(C2CC2)s1	ZINC001087035972	953146407	/nfs/dbraw/zinc/14/64/07/953146407.db2.gz	SZOVXXIOLCURIQ-IACUBPJLSA-N	1	0	363.487	1.528	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C(F)=C(C)C)C[C@H]2OCC)C1=O	ZINC001087043803	953165633	/nfs/dbraw/zinc/16/56/33/953165633.db2.gz	IEECVFNREXMBLH-OWCLPIDISA-N	1	0	367.465	1.490	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1ccc(F)cn1	ZINC001087045560	953170958	/nfs/dbraw/zinc/17/09/58/953170958.db2.gz	MFESDMVIBGEZFY-FZKQIMNGSA-N	1	0	371.416	1.687	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2)[C@H](OCC)C1	ZINC001087059927	953203010	/nfs/dbraw/zinc/20/30/10/953203010.db2.gz	BDPYJQRGKMGNFH-QHAWAJNXSA-N	1	0	369.509	1.737	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@H]2CCNC(=O)CC2)[C@H](OCC)C1	ZINC001087072018	953226292	/nfs/dbraw/zinc/22/62/92/953226292.db2.gz	OEUHTKJIGMHUHF-BRWVUGGUSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2ccnc(OC)n2)[C@H](OCC)C1	ZINC001087072727	953227489	/nfs/dbraw/zinc/22/74/89/953227489.db2.gz	WPWYCIKITIKLCK-GDBMZVCRSA-N	1	0	362.474	1.651	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H]2OCC[C@H]2C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087085320	953246384	/nfs/dbraw/zinc/24/63/84/953246384.db2.gz	YSGIUGYCLSFIFX-XLNTUCKNSA-N	1	0	371.481	1.936	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2nc(C)c[nH]2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087089787	953253198	/nfs/dbraw/zinc/25/31/98/953253198.db2.gz	DMXZMAMQWHOLTI-QZTJIDSGSA-N	1	0	367.453	1.857	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C(C)(C)CC)C[C@H]2OCC)C1=O	ZINC001087078412	953262951	/nfs/dbraw/zinc/26/29/51/953262951.db2.gz	WOPXDJYJPSKXCS-BRWVUGGUSA-N	1	0	365.518	1.663	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]C[C@@H]3CCCCO3)[C@H](OCC)C2)nc1	ZINC001087097440	953284811	/nfs/dbraw/zinc/28/48/11/953284811.db2.gz	PTUNDZYMVNVBLP-WSTZPKSXSA-N	1	0	371.481	1.699	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)C1	ZINC001196773497	971926034	/nfs/dbraw/zinc/92/60/34/971926034.db2.gz	USQIKPXSUVNBSR-MTQWCTHYSA-N	1	0	358.482	1.771	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3COCCN3CC3CCC3)C[C@]2(C)C1	ZINC001091883373	953517889	/nfs/dbraw/zinc/51/78/89/953517889.db2.gz	HNJSYFKWGWUNRX-SBHAEUEKSA-N	1	0	359.514	1.291	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1C[C@H]2CCN(c3ccc(C#N)c(C)n3)C[C@H]2C1	ZINC001091855418	953553823	/nfs/dbraw/zinc/55/38/23/953553823.db2.gz	ZHWWTIWVCORQJS-MSOLQXFVSA-N	1	0	355.486	1.888	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3csc(-c4ncc[nH]4)n3)C[C@]2(C)C1	ZINC001091867800	953617550	/nfs/dbraw/zinc/61/75/50/953617550.db2.gz	ACBYCRJWSZRUKU-ACJLOTCBSA-N	1	0	355.467	1.950	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@@]3(C)C2)cc1	ZINC001091907026	953682847	/nfs/dbraw/zinc/68/28/47/953682847.db2.gz	MVJYFILUNQXTKU-FPDPHYFHSA-N	1	0	353.466	1.539	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCO[C@@H](C)C3)C[C@@]2(C)C1	ZINC001091918368	953709418	/nfs/dbraw/zinc/70/94/18/953709418.db2.gz	KVYSTQNNVGYIQV-YRNRMSPPSA-N	1	0	363.502	1.226	20	30		FDEDRO
C[C@]12CN(C(=O)C3(C(N)=O)CC3)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001091971312	953847598	/nfs/dbraw/zinc/84/75/98/953847598.db2.gz	YEKFFUSOIXXDCY-XLIONFOSSA-N	1	0	351.450	1.084	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)CCC2CCCC2)C1	ZINC001196933631	971977724	/nfs/dbraw/zinc/97/77/24/971977724.db2.gz	VAIWKDXVTKVOIU-IAGOWNOFSA-N	1	0	351.491	1.201	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cn(C)nc3C(F)(F)F)C[C@]2(C)C1	ZINC001092051975	954143503	/nfs/dbraw/zinc/14/35/03/954143503.db2.gz	XWCNACQUGGNSEP-WBMJQRKESA-N	1	0	354.376	1.856	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3[nH]ncc3Br)C[C@]2(C)C1	ZINC001092104686	954327959	/nfs/dbraw/zinc/32/79/59/954327959.db2.gz	UQTXHOIHWTYUHQ-ABAIWWIYSA-N	1	0	351.248	1.589	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@]2(C)C1	ZINC001092232451	954578637	/nfs/dbraw/zinc/57/86/37/954578637.db2.gz	MPAIGDMCCUWNGR-DXIQSLLYSA-N	1	0	365.477	1.221	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)Cc3ccc4c(c3)OCCO4)C[C@]2(C)C1	ZINC001092253355	954710844	/nfs/dbraw/zinc/71/08/44/954710844.db2.gz	FUXQOPXUWWUFTE-UTKZUKDTSA-N	1	0	354.450	1.804	20	30		FDEDRO
CC[C@@H](C(=O)N1C[C@H]2CN(c3cnc(C#N)cn3)C[C@@]2(C)C1)[NH+](CC)CC	ZINC001092307003	954774476	/nfs/dbraw/zinc/77/44/76/954774476.db2.gz	PBEOZYKLOJTFNF-SYNHAJSKSA-N	1	0	370.501	1.753	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]ncc2Br)C1	ZINC001197010462	972042770	/nfs/dbraw/zinc/04/27/70/972042770.db2.gz	SNLLGCXHHNFEML-MVWJERBFSA-N	1	0	357.252	1.302	20	30		FDEDRO
C[C@]12CN(C(=O)Cn3ccnc3)C[C@H]1C[N@H+](Cc1ccc(C#N)s1)C2	ZINC001092318846	954827989	/nfs/dbraw/zinc/82/79/89/954827989.db2.gz	JYFRAOMTUUMAGX-KDOFPFPSSA-N	1	0	355.467	1.797	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1C[C@H]2CN(c3ccc(C#N)c(C)n3)C[C@@]2(C)C1	ZINC001092289440	954878056	/nfs/dbraw/zinc/87/80/56/954878056.db2.gz	FCFOWDJBTULCBM-XLIONFOSSA-N	1	0	355.486	1.888	20	30		FDEDRO
C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)c1nccn12	ZINC001092383773	954981100	/nfs/dbraw/zinc/98/11/00/954981100.db2.gz	OPMLLPJSWRWBDQ-LUKYLMHMSA-N	1	0	372.469	1.083	20	30		FDEDRO
C[C@@H]1CN(c2ncccc2C#N)C[C@H]1CNC(=O)C[NH+]1CCC(C)CC1	ZINC001092394100	954996710	/nfs/dbraw/zinc/99/67/10/954996710.db2.gz	VUUQPNBJVBWDPR-SJLPKXTDSA-N	1	0	355.486	1.874	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1	ZINC001092404775	955025808	/nfs/dbraw/zinc/02/58/08/955025808.db2.gz	ADJPPGRNCJPZBK-NVXWUHKLSA-N	1	0	355.486	1.874	20	30		FDEDRO
C[C@@H]1CN(c2ncccc2C#N)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1	ZINC001092404998	955026943	/nfs/dbraw/zinc/02/69/43/955026943.db2.gz	IKTYYRZDVGOPJX-CRAIPNDOSA-N	1	0	355.486	1.874	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3ccc(F)cc3)[C@H](C)C2)C1=O	ZINC001092433349	955085919	/nfs/dbraw/zinc/08/59/19/955085919.db2.gz	UHRLDZCCHDQAFA-QGPMSJSTSA-N	1	0	359.445	1.910	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)c1cnccn1	ZINC001092439133	955102334	/nfs/dbraw/zinc/10/23/34/955102334.db2.gz	YLHDQLCJFQPSKB-CZUORRHYSA-N	1	0	353.401	1.985	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H](CNC(=O)[C@H](C3CC3)[NH+](C)C)[C@H](C)C2)n1	ZINC001092415921	955147477	/nfs/dbraw/zinc/14/74/77/955147477.db2.gz	KEHBOUOXESZVTN-MUKKUYKPSA-N	1	0	370.501	1.439	20	30		FDEDRO
Cc1nsc(N2C[C@@H](CNC(=O)[C@H](C3CC3)[NH+](C)C)[C@H](C)C2)c1C#N	ZINC001092416018	955148301	/nfs/dbraw/zinc/14/83/01/955148301.db2.gz	NFXOEBVDHCPVMZ-XFJVYGCCSA-N	1	0	361.515	1.852	20	30		FDEDRO
C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)[C@H](C)C1	ZINC001092546190	955378127	/nfs/dbraw/zinc/37/81/27/955378127.db2.gz	ONYGNLTXJGHHEK-BZUAXINKSA-N	1	0	371.485	1.585	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cc3n(n2)CCCC3)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC001092551212	955402382	/nfs/dbraw/zinc/40/23/82/955402382.db2.gz	QIVSNFJTOPRBEV-HUUCEWRRSA-N	1	0	366.469	1.917	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC001092553351	955416342	/nfs/dbraw/zinc/41/63/42/955416342.db2.gz	VZSYCMYPJYSZHW-ZTNFWEORSA-N	1	0	366.465	1.788	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC001092530358	955488405	/nfs/dbraw/zinc/48/84/05/955488405.db2.gz	ACRJKGMLAJNHGM-NVXWUHKLSA-N	1	0	371.485	1.443	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1	ZINC001092532796	955500162	/nfs/dbraw/zinc/50/01/62/955500162.db2.gz	SPEKJZVWZZOGJT-GDBMZVCRSA-N	1	0	356.474	1.269	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@@H]1CCNC(=O)C1	ZINC001092536557	955516683	/nfs/dbraw/zinc/51/66/83/955516683.db2.gz	IBOVKSMCFSDMRK-ZTFGCOKTSA-N	1	0	354.454	1.269	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)[C@@H]1CCNC(=O)C1	ZINC001092536846	955517869	/nfs/dbraw/zinc/51/78/69/955517869.db2.gz	NIZFNBWAODEGEK-MGPQQGTHSA-N	1	0	360.483	1.330	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3c(cnn3C)c2)C1	ZINC001197180549	972109842	/nfs/dbraw/zinc/10/98/42/972109842.db2.gz	AEXMOQHWYLAUHJ-IAGOWNOFSA-N	1	0	357.458	1.490	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)NCC[C@@H]2CN(c3ccnc(C#N)n3)C[C@H]2C)C1	ZINC001092584017	955730447	/nfs/dbraw/zinc/73/04/47/955730447.db2.gz	CQAJZIFUGLACFY-ARFHVFGLSA-N	1	0	356.474	1.269	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNc2ccc(C#N)nn2)C1	ZINC001092618896	955842300	/nfs/dbraw/zinc/84/23/00/955842300.db2.gz	SFOMVAKGUPXQQL-HZPDHXFCSA-N	1	0	358.490	1.977	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CCNc2cnc(C#N)cn2)C1	ZINC001092622395	955863177	/nfs/dbraw/zinc/86/31/77/955863177.db2.gz	DPNBYMJFZKDGRJ-HUUCEWRRSA-N	1	0	358.490	1.975	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)c3cc(CC)ccn3)[C@H](C)C2)C1=O	ZINC001092632004	955900369	/nfs/dbraw/zinc/90/03/69/955900369.db2.gz	XIDCSGXBHHRYJA-SZVBFZGTSA-N	1	0	370.497	1.729	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@H]1CC(=O)N(C)C1	ZINC001092656086	955914051	/nfs/dbraw/zinc/91/40/51/955914051.db2.gz	YBINTCJJJVYBSD-FHLIZLRMSA-N	1	0	354.454	1.221	20	30		FDEDRO
CC(C)[N@H+](C)CC(=O)NC[C@]12CCC[C@H]1N(c1ccc(C#N)nn1)CC2	ZINC001092697936	956072567	/nfs/dbraw/zinc/07/25/67/956072567.db2.gz	LQTHZYUUHVVHMH-VQIMIIECSA-N	1	0	356.474	1.554	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@]3(CNC(=O)C[NH+]4CCCC4)CCC[C@@H]23)nn1	ZINC001092698346	956073485	/nfs/dbraw/zinc/07/34/85/956073485.db2.gz	SPUAAFRBZZPLDJ-VQIMIIECSA-N	1	0	354.458	1.309	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)NC[C@]12CCC[C@H]1N(c1nccnc1C#N)CC2	ZINC001092712708	956149404	/nfs/dbraw/zinc/14/94/04/956149404.db2.gz	FDEXOWYXFNNOMJ-XAUMDUMWSA-N	1	0	368.485	1.698	20	30		FDEDRO
N#CCCn1cc(C[NH2+]C2CC[NH+](CC(=O)[O-])CC2)c(-c2ccncc2)n1	ZINC001594609946	956197285	/nfs/dbraw/zinc/19/72/85/956197285.db2.gz	FYZQIFDJCAEEBH-UHFFFAOYSA-N	1	0	368.441	1.497	20	30		FDEDRO
C=CCOc1ccccc1C(=O)NC[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1C	ZINC001092739704	956232396	/nfs/dbraw/zinc/23/23/96/956232396.db2.gz	AMJRNKYDGWZRES-JFIYKMOQSA-N	1	0	371.481	1.828	20	30		FDEDRO
C=CCOc1ccccc1C(=O)NC[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1C	ZINC001092740732	956237180	/nfs/dbraw/zinc/23/71/80/956237180.db2.gz	QPZNTEUNGOVVEA-IAGOWNOFSA-N	1	0	369.469	1.841	20	30		FDEDRO
O=C(CC#Cc1ccccc1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O	ZINC001110135596	956316770	/nfs/dbraw/zinc/31/67/70/956316770.db2.gz	LAHHPFIFQUXESL-QYZOEREBSA-N	1	0	366.465	1.175	20	30		FDEDRO
CCc1cc(C(=O)N2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)ccc1C#N	ZINC001197274307	972185448	/nfs/dbraw/zinc/18/54/48/972185448.db2.gz	BLDMLQJHFYMCSE-UHFFFAOYSA-N	1	0	368.481	1.937	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)c2sccc2-n2cnnn2)[C@H](C)C1	ZINC001092773482	956401765	/nfs/dbraw/zinc/40/17/65/956401765.db2.gz	ONKDHFSZCQNDMX-ZIAGYGMSSA-N	1	0	360.487	1.988	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@]2(C)CN(c3ccc(C#N)nc3)CCO2)CC[N@@H+]1C	ZINC001092779117	956424894	/nfs/dbraw/zinc/42/48/94/956424894.db2.gz	NXQWFWNRUHBVAI-NSHGMRRFSA-N	1	0	371.485	1.395	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@]2(C)CN(c3ccc(C#N)cn3)CCO2)CC[N@@H+]1C	ZINC001092779705	956427556	/nfs/dbraw/zinc/42/75/56/956427556.db2.gz	WWWLCHGSGBARKA-SQGPQFPESA-N	1	0	371.485	1.395	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)[C@@H]1CCNC1=O	ZINC001092883362	956656204	/nfs/dbraw/zinc/65/62/04/956656204.db2.gz	GBUXMEPNVROOSZ-DAXOMENPSA-N	1	0	358.417	1.018	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nc1	ZINC001092887681	956678746	/nfs/dbraw/zinc/67/87/46/956678746.db2.gz	HYLZLBVZBPXOSW-UBDQQSCGSA-N	1	0	359.449	1.859	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)c2ccc(-n3cnnn3)cn2)[C@H](C)C1	ZINC001092852017	956682301	/nfs/dbraw/zinc/68/23/01/956682301.db2.gz	BBBUZRQBBDVQCH-HUUCEWRRSA-N	1	0	355.446	1.321	20	30		FDEDRO
C[NH+](C)C1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(C#N)cn2)CCCC1	ZINC001092898625	956833072	/nfs/dbraw/zinc/83/30/72/956833072.db2.gz	QCGTYNZUUYMOGW-IKGGRYGDSA-N	1	0	368.485	1.839	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1)[NH+]1CCCC1	ZINC001092981965	956986918	/nfs/dbraw/zinc/98/69/18/956986918.db2.gz	GGFIUCXZSMXXFY-VXIBKDFQSA-N	1	0	368.485	1.695	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)[C@H](C)C1	ZINC001092983427	956991704	/nfs/dbraw/zinc/99/17/04/956991704.db2.gz	OPLDUVFYUSPJNC-MRVWCRGKSA-N	1	0	352.870	1.062	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2C)cc1	ZINC001093031857	957244011	/nfs/dbraw/zinc/24/40/11/957244011.db2.gz	KRXGRXRTJQRYHA-NVXWUHKLSA-N	1	0	357.454	1.085	20	30		FDEDRO
CCc1nc(C#N)cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(C[NH+](C)C)CC2)C3)n1	ZINC001093037793	957258872	/nfs/dbraw/zinc/25/88/72/957258872.db2.gz	WVKCNAKRUNVXAR-OAGGEKHMSA-N	1	0	368.485	1.478	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1C	ZINC001093040381	957264019	/nfs/dbraw/zinc/26/40/19/957264019.db2.gz	NWVHTVDUDDKZRL-VXNCWWDNSA-N	1	0	363.502	1.274	20	30		FDEDRO
CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1CN(c1nc(C)cc(C#N)n1)C2	ZINC001093088737	957509421	/nfs/dbraw/zinc/50/94/21/957509421.db2.gz	OBRPEFDAODYCHF-KXBFYZLASA-N	1	0	356.474	1.474	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2cn([C@@H]3CCOC3)nn2)[C@H](C)C1	ZINC001093116023	957560554	/nfs/dbraw/zinc/56/05/54/957560554.db2.gz	FCIPXROFJZHVCH-MRVWCRGKSA-N	1	0	353.854	1.290	20	30		FDEDRO
C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@]2(CNc2cncc(C#N)n2)C1	ZINC001093129898	957671733	/nfs/dbraw/zinc/67/17/33/957671733.db2.gz	UJKLWYMMFUHNHR-KXBFYZLASA-N	1	0	356.474	1.731	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)c1ccc(=O)n(C)n1	ZINC001093180290	957690318	/nfs/dbraw/zinc/69/03/18/957690318.db2.gz	DMGUZWNKOKYOIG-CHWSQXEVSA-N	1	0	371.466	1.211	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3ccncc3)C[C@H]2C)C1=O	ZINC001093270000	957915637	/nfs/dbraw/zinc/91/56/37/957915637.db2.gz	FJVIXTZGIXNGEK-NXHRZFHOSA-N	1	0	356.470	1.556	20	30		FDEDRO
CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)C1=O	ZINC001093274463	957944763	/nfs/dbraw/zinc/94/47/63/957944763.db2.gz	PCJMSXCCPBFUNZ-BMFZPTHFSA-N	1	0	357.458	1.195	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3cccnc3C)C[C@H]2C)C1=O	ZINC001093284054	957964782	/nfs/dbraw/zinc/96/47/82/957964782.db2.gz	CHHYJUOMFPKWTD-SZVBFZGTSA-N	1	0	370.497	1.865	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3conc3C)C[C@H]2C)C1=O	ZINC001093284909	957966612	/nfs/dbraw/zinc/96/66/12/957966612.db2.gz	LIMAJZYMTGSWKG-FRFSOERESA-N	1	0	360.458	1.458	20	30		FDEDRO
C=C[C@@H]1C[C@]1(NC(=O)c1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C(=O)OCC	ZINC001197619194	972312432	/nfs/dbraw/zinc/31/24/32/972312432.db2.gz	HNBYZXWQKUIZSL-MBOZVWFJSA-N	1	0	358.438	1.491	20	30		FDEDRO
C#CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1ccncc1)CCO2	ZINC001093397865	958036401	/nfs/dbraw/zinc/03/64/01/958036401.db2.gz	GLUHANXEITXOFG-KYBDOYODSA-N	1	0	353.466	1.948	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc[n+]([O-])cc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093426055	958039801	/nfs/dbraw/zinc/03/98/01/958039801.db2.gz	AXHVTQZLRIQZHK-FTEYMNFISA-N	1	0	359.470	1.476	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc(C)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093427955	958045395	/nfs/dbraw/zinc/04/53/95/958045395.db2.gz	OACOZUJNUWKPGT-DLVXIWMQSA-N	1	0	358.486	1.941	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(C)c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093430307	958051774	/nfs/dbraw/zinc/05/17/74/958051774.db2.gz	LFBLOOWBCZSHJL-XSYGEPLQSA-N	1	0	360.502	1.884	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3CCOCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093433306	958060344	/nfs/dbraw/zinc/06/03/44/958060344.db2.gz	BZDUESMSEOQKRB-IZBJGVDFSA-N	1	0	350.503	1.955	20	30		FDEDRO
Cc1oncc1C[NH2+][C@@H]1C[C@]2(CN(C(=O)C#CC3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093443517	958085325	/nfs/dbraw/zinc/08/53/25/958085325.db2.gz	RIVPAWRVVMRRHZ-RMVXJAJNSA-N	1	0	371.481	1.863	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nn(C)cc3Cl)[C@H]2C(C)C)C[C@H]1O	ZINC001093446491	958095725	/nfs/dbraw/zinc/09/57/25/958095725.db2.gz	IIQBIGWEORFOGY-AHEZYBDSSA-N	1	0	366.893	1.839	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3ncc[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093447676	958101829	/nfs/dbraw/zinc/10/18/29/958101829.db2.gz	YLRYAWKEJLDSOP-YKCBXCCJSA-N	1	0	360.502	1.885	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3c[nH]cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093448050	958104659	/nfs/dbraw/zinc/10/46/59/958104659.db2.gz	CRISGLFOOUGMJC-IZBJGVDFSA-N	1	0	360.502	1.885	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnc4ccnn43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093449331	958114441	/nfs/dbraw/zinc/11/44/41/958114441.db2.gz	OJQWNWABLHDDGY-QSFMABPGSA-N	1	0	369.469	1.495	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COc3cc(C)on3)[C@H]2C(C)C)C[C@H]1O	ZINC001093449399	958115873	/nfs/dbraw/zinc/11/58/73/958115873.db2.gz	GOXAJHKNQUQMNN-LTDCPUDJSA-N	1	0	363.458	1.514	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3nc(CC)c[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093450756	958127077	/nfs/dbraw/zinc/12/70/77/958127077.db2.gz	OTJJCXPBNZFCIO-YAJHFMINSA-N	1	0	360.502	1.667	20	30		FDEDRO
COCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)[C@H]1C(C)C	ZINC001093417493	958141947	/nfs/dbraw/zinc/14/19/47/958141947.db2.gz	WWNNDYBEXPZASY-VURPSTOHSA-N	1	0	371.481	1.671	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COC3CCOCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093465625	958205036	/nfs/dbraw/zinc/20/50/36/958205036.db2.gz	IQCJKGVGNNYDLB-HNBVOPMISA-N	1	0	366.502	1.334	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(CF)CCOCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093467131	958213626	/nfs/dbraw/zinc/21/36/26/958213626.db2.gz	SWWMSEJTJZBFEI-WOCWXWTJSA-N	1	0	366.477	1.352	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc(C)nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093468000	958216663	/nfs/dbraw/zinc/21/66/63/958216663.db2.gz	WYDCIJSDGOWDGG-XSYGEPLQSA-N	1	0	358.486	1.859	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]C(C)C)C3)[C@@H]2C(C)C)nn1	ZINC001093468366	958218397	/nfs/dbraw/zinc/21/83/97/958218397.db2.gz	YZIIXVDTRXAXLX-NWGLXNPWSA-N	1	0	361.490	1.452	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3ncccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093469240	958221222	/nfs/dbraw/zinc/22/12/22/958221222.db2.gz	FJFGAOHIQKBRHD-YKCBXCCJSA-N	1	0	356.470	1.009	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3coc(COC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093470116	958225487	/nfs/dbraw/zinc/22/54/87/958225487.db2.gz	PPBLAVMXANFTIV-OVLVRJBISA-N	1	0	361.442	1.034	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn4ccccc34)[C@H]2C(C)C)C[C@H]1O	ZINC001093470739	958231021	/nfs/dbraw/zinc/23/10/21/958231021.db2.gz	YYURSHFKKGSGLU-RBAQFSTRSA-N	1	0	366.465	1.547	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc(OC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093471117	958232655	/nfs/dbraw/zinc/23/26/55/958232655.db2.gz	CCGGJQVQIHELJH-CIWUYKSXSA-N	1	0	357.454	1.303	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@@H]1C(C)C	ZINC001093471430	958234160	/nfs/dbraw/zinc/23/41/60/958234160.db2.gz	DIXYVQWEMYIIBS-WKDRNLAYSA-N	1	0	370.493	1.169	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3sccc3OC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093473009	958243303	/nfs/dbraw/zinc/24/33/03/958243303.db2.gz	OCYXKQWVEXLERM-PHNROFDPSA-N	1	0	362.495	1.970	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c4c(nn3C)CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093473961	958246503	/nfs/dbraw/zinc/24/65/03/958246503.db2.gz	QIHIOLIRZKTZBG-REHHDOPLSA-N	1	0	370.497	1.122	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CCF)C3)[C@@H]2C(C)C)nc1	ZINC001093475567	958253270	/nfs/dbraw/zinc/25/32/70/958253270.db2.gz	YNNROUZPTUCZBI-XSYGEPLQSA-N	1	0	359.445	1.612	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CCF)C3)[C@H]2C(C)C)nc1	ZINC001093475565	958253417	/nfs/dbraw/zinc/25/34/17/958253417.db2.gz	YNNROUZPTUCZBI-SOAMZJECSA-N	1	0	359.445	1.612	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3coc(OCC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093454117	958265113	/nfs/dbraw/zinc/26/51/13/958265113.db2.gz	ZFAQGBZWXVUZNG-NVQRDWNXSA-N	1	0	361.442	1.286	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)c2ccn3c[nH+]cc3c2)C[C@@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001093454073	958265257	/nfs/dbraw/zinc/26/52/57/958265257.db2.gz	YMZFUWYQAYISLD-SOAMZJECSA-N	1	0	367.453	1.438	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)cncc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093454836	958270689	/nfs/dbraw/zinc/27/06/89/958270689.db2.gz	CFJSHMJYTWSXMW-ZJSJBZJDSA-N	1	0	355.482	1.911	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)nn(C)c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093454925	958270768	/nfs/dbraw/zinc/27/07/68/958270768.db2.gz	IHWMWAOIQFBZNB-HBXLWWENSA-N	1	0	358.486	1.250	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)cnn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093455022	958271553	/nfs/dbraw/zinc/27/15/53/958271553.db2.gz	JDOSGLLXRUEULR-ZTRFORPCSA-N	1	0	360.502	1.884	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)nn(C)c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093455383	958273460	/nfs/dbraw/zinc/27/34/60/958273460.db2.gz	MPUTYWZKVIZYBO-CIWUYKSXSA-N	1	0	360.502	1.803	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)c(C)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093457826	958280596	/nfs/dbraw/zinc/28/05/96/958280596.db2.gz	LGFMXPDMJWZJQV-WERVVEIQSA-N	1	0	355.482	1.911	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cc(C)nn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093458262	958282263	/nfs/dbraw/zinc/28/22/63/958282263.db2.gz	MRGSSVAVSYNFEC-IZBJGVDFSA-N	1	0	360.502	1.423	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COc3ccc(C)cc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093478485	958292424	/nfs/dbraw/zinc/29/24/24/958292424.db2.gz	QSIPGIDUOIBWSG-UGESXGAOSA-N	1	0	370.493	1.973	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3ccccc3F)C[C@H]2C)C1=O	ZINC001093615394	958376035	/nfs/dbraw/zinc/37/60/35/958376035.db2.gz	BTAQIXZQSVJGMH-RKVPGOIHSA-N	1	0	359.445	1.910	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3cn[nH]c3)C[C@H]2C)cc1C#N	ZINC001093651024	958434899	/nfs/dbraw/zinc/43/48/99/958434899.db2.gz	FQFJGCLHHPGHLD-CXAGYDPISA-N	1	0	353.426	1.788	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CC3CCOCC3)C[C@H]2C)C1=O	ZINC001093683197	958490968	/nfs/dbraw/zinc/49/09/68/958490968.db2.gz	KWOXTLFLEDZDQH-NXHRZFHOSA-N	1	0	363.502	1.274	20	30		FDEDRO
CCCn1c(C)nnc1C[NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC001093699880	958566906	/nfs/dbraw/zinc/56/69/06/958566906.db2.gz	NFBMGULRLKKJLA-CZUORRHYSA-N	1	0	369.473	1.694	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1C	ZINC001093715774	958585384	/nfs/dbraw/zinc/58/53/84/958585384.db2.gz	RTZMGXOUGNOGMX-RHSMWYFYSA-N	1	0	367.453	1.798	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1cc2n(n1)CCC2	ZINC001093722522	958598265	/nfs/dbraw/zinc/59/82/65/958598265.db2.gz	LVIHJENWVDIAAN-ZIAGYGMSSA-N	1	0	352.442	1.527	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2cc(C#N)ccc2F)[C@H](C)C1)n1cncn1	ZINC001093725196	958604423	/nfs/dbraw/zinc/60/44/23/958604423.db2.gz	BRGOFJGCAOKPGY-JKIFEVAISA-N	1	0	370.432	1.734	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093739553	958652284	/nfs/dbraw/zinc/65/22/84/958652284.db2.gz	LUPHZIRTHIHMCT-CZUORRHYSA-N	1	0	354.410	1.348	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093741422	958662556	/nfs/dbraw/zinc/66/25/56/958662556.db2.gz	XYEMTBDBYPYSAY-CRAIPNDOSA-N	1	0	351.454	1.719	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C	ZINC001093754832	958683075	/nfs/dbraw/zinc/68/30/75/958683075.db2.gz	KTPOVYXZOPOPPI-CZUORRHYSA-N	1	0	368.441	1.193	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]C[C@@H]1COc2ccccc2O1	ZINC001093764096	958705194	/nfs/dbraw/zinc/70/51/94/958705194.db2.gz	OVPAXRIVVPBVAL-KBAYOESNSA-N	1	0	354.450	1.924	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3cc(C)nnc3C)C[C@H]2C)C1=O	ZINC001093795470	958803427	/nfs/dbraw/zinc/80/34/27/958803427.db2.gz	UXVRZIBLVBAMEB-QBIMZIAESA-N	1	0	371.485	1.178	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COc1ccccc1	ZINC001110494164	972379381	/nfs/dbraw/zinc/37/93/81/972379381.db2.gz	JRJVXOFDDALFMZ-LFGUQSLTSA-N	1	0	356.466	1.951	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ncccc2C)[C@H](C)C1	ZINC001093833216	958928719	/nfs/dbraw/zinc/92/87/19/958928719.db2.gz	ZIJJKEMRBICXEF-GGPKGHCWSA-N	1	0	354.498	1.672	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)Cc3cncs3)C[C@H]2C)C1=O	ZINC001093841976	958956240	/nfs/dbraw/zinc/95/62/40/958956240.db2.gz	YEGVRRPZRZEKRD-IIAWOOMASA-N	1	0	362.499	1.157	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3onc(C)c3C)C[C@H]2C)C1=O	ZINC001093847385	958972250	/nfs/dbraw/zinc/97/22/50/958972250.db2.gz	LQUNGTUIIRTRHR-WQVCFCJDSA-N	1	0	360.458	1.376	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093849332	958973561	/nfs/dbraw/zinc/97/35/61/958973561.db2.gz	FWTIFHYNTJNSJY-CZUORRHYSA-N	1	0	351.410	1.552	20	30		FDEDRO
Cc1oc(NC(=O)CN2CCC([NH2+]C3CCOCC3)CC2)c(C#N)c1C	ZINC001197739791	972403530	/nfs/dbraw/zinc/40/35/30/972403530.db2.gz	SHSXEZQFIQFVTC-UHFFFAOYSA-N	1	0	360.458	1.940	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093887502	959134954	/nfs/dbraw/zinc/13/49/54/959134954.db2.gz	GDMKMHNGJNTIPP-UKRRQHHQSA-N	1	0	370.478	1.816	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](NC(N)=O)C(C)(C)C)C1	ZINC001197812088	972421238	/nfs/dbraw/zinc/42/12/38/972421238.db2.gz	GICUKZBCPJQUFC-KFWWJZLASA-N	1	0	356.511	1.201	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093936119	959394209	/nfs/dbraw/zinc/39/42/09/959394209.db2.gz	BTSMRACBYYTFEU-VFVRVIDISA-N	1	0	360.483	1.330	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001093999656	959482023	/nfs/dbraw/zinc/48/20/23/959482023.db2.gz	FUFNUNYHYMPCQT-IUODEOHRSA-N	1	0	369.400	1.279	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3ncnn3CCF)[C@H](C)C2)c1	ZINC001094027814	959548165	/nfs/dbraw/zinc/54/81/65/959548165.db2.gz	GCBMZXPDDVMWAD-RHSMWYFYSA-N	1	0	370.432	1.122	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CCC)[C@H](C)C1	ZINC001094055154	959644921	/nfs/dbraw/zinc/64/49/21/959644921.db2.gz	LIQNVUJYRPAJOU-VQHPVUNQSA-N	1	0	361.490	1.463	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnc(CC)n2C)[C@H](C)C1	ZINC001094055146	959645560	/nfs/dbraw/zinc/64/55/60/959645560.db2.gz	KRVPQZNRTNOXOO-FPCVCCKLSA-N	1	0	361.490	1.153	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(CO)cc2)[C@H](C)C1	ZINC001094055557	959647202	/nfs/dbraw/zinc/64/72/02/959647202.db2.gz	XFYQXRDRYJIIMV-XLNTUCKNSA-N	1	0	358.482	1.954	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001094067596	959686835	/nfs/dbraw/zinc/68/68/35/959686835.db2.gz	XVPQVPJLVYZBIP-CRAIPNDOSA-N	1	0	365.437	1.877	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3cnoc3CC)C[C@H]2C)C1=O	ZINC001094080784	959721387	/nfs/dbraw/zinc/72/13/87/959721387.db2.gz	HTSHERGGZVOLHR-FMKPAKJESA-N	1	0	360.458	1.322	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3cc(C)n(C)n3)[C@H](C)C2)nn1	ZINC001094095338	959772022	/nfs/dbraw/zinc/77/20/22/959772022.db2.gz	NXYCOTQTPNUVKI-UKRRQHHQSA-N	1	0	357.462	1.004	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3nc(C4CC4)no3)[C@H](C)C2)nn1	ZINC001094095806	959773660	/nfs/dbraw/zinc/77/36/60/959773660.db2.gz	XJEZRIUHRKCDTL-TZMCWYRMSA-N	1	0	371.445	1.222	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3conc3C)[C@H](C)C2)nn1	ZINC001094099578	959782929	/nfs/dbraw/zinc/78/29/29/959782929.db2.gz	GZODFPAOBYKVOA-UKRRQHHQSA-N	1	0	358.446	1.649	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001094166643	959954480	/nfs/dbraw/zinc/95/44/80/959954480.db2.gz	IOTOVFWNTVODJX-RHSMWYFYSA-N	1	0	369.444	1.858	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]Cc2ccccn2)[C@H](C)C1	ZINC001094174175	959976173	/nfs/dbraw/zinc/97/61/73/959976173.db2.gz	WRWARXLDSQSPMO-IAGOWNOFSA-N	1	0	364.449	1.987	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]C[C@@H]3CCc4ncnn43)[C@H](C)C2)nc1	ZINC001094174979	959979696	/nfs/dbraw/zinc/97/96/96/959979696.db2.gz	VTHDDBKRIHXPDA-OIISXLGYSA-N	1	0	364.453	1.140	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3snnc3C)[C@H](C)C2)cn1	ZINC001094174949	959979869	/nfs/dbraw/zinc/97/98/69/959979869.db2.gz	VMHMHZUFXNGEFF-IUODEOHRSA-N	1	0	355.467	1.721	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+][C@H]2CCCN(C)C2=O)[C@H](C)C1	ZINC001094188457	960070401	/nfs/dbraw/zinc/07/04/01/960070401.db2.gz	WOHYNJVEELUQKP-AHRSYUTCSA-N	1	0	367.493	1.515	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCN2CCCC2=O)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001094228964	960123573	/nfs/dbraw/zinc/12/35/73/960123573.db2.gz	LWQKQRNMRBWNGV-VQIMIIECSA-N	1	0	368.481	1.755	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncoc2-c2ccon2)C1	ZINC001197819587	972493495	/nfs/dbraw/zinc/49/34/95/972493495.db2.gz	HAHIYLDZYYLZQI-HUUCEWRRSA-N	1	0	360.414	1.851	20	30		FDEDRO
Cn1nccc1CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C#N)c[nH]3)CCC[C@@H]12	ZINC001094388962	960333506	/nfs/dbraw/zinc/33/35/06/960333506.db2.gz	NBNKLRRERNXIIK-UYAOXDASSA-N	1	0	366.469	1.837	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@]3(CNC(=O)c4cc[nH]c4)CCC[C@@H]23)C1=O	ZINC001094422929	960419359	/nfs/dbraw/zinc/41/93/59/960419359.db2.gz	IODHUOYPBDORSQ-SQGPQFPESA-N	1	0	356.470	1.776	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4sccn4c3=O)CCC[C@@H]12	ZINC001094463533	960462578	/nfs/dbraw/zinc/46/25/78/960462578.db2.gz	PPWBOSZJAYLAFY-DNVCBOLYSA-N	1	0	370.478	1.754	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4cc(C)nn4c3C)CCC[C@@H]12	ZINC001094482057	960665954	/nfs/dbraw/zinc/66/59/54/960665954.db2.gz	VWQDVMQPZAJTPG-YLJYHZDGSA-N	1	0	351.454	1.954	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCc1cnn(C)c1)CC2	ZINC001094516222	960708261	/nfs/dbraw/zinc/70/82/61/960708261.db2.gz	QYGUQUPCHJAARC-RCLSDMTESA-N	1	0	372.513	1.915	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(CNC(N)=O)cc3)CCC[C@@H]12	ZINC001094575099	960853081	/nfs/dbraw/zinc/85/30/81/960853081.db2.gz	HPWDYXCNNLKFFG-WIYYLYMNSA-N	1	0	368.481	1.853	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)N2CCC2)C1	ZINC001181525615	960904483	/nfs/dbraw/zinc/90/44/83/960904483.db2.gz	OBANVWKHCYLUML-PDOICOKGSA-N	1	0	363.502	1.274	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccnc4nc(C)nn43)CCC[C@@H]12	ZINC001094559646	960916935	/nfs/dbraw/zinc/91/69/35/960916935.db2.gz	AKPKQXKYNWYFKK-VQIMIIECSA-N	1	0	352.442	1.430	20	30		FDEDRO
C[NH+]1CCC(O)(C(=O)N=C(NO)c2ccc(OC(F)(F)F)cc2)CC1	ZINC001182031543	961348695	/nfs/dbraw/zinc/34/86/95/961348695.db2.gz	BHJQWDNWFPVWMD-UHFFFAOYSA-N	1	0	361.320	1.294	20	30		FDEDRO
C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@@H+]([C@@H]1CCN(CC)C(=O)C1)C2	ZINC001172040145	961439144	/nfs/dbraw/zinc/43/91/44/961439144.db2.gz	TXBHFPZKDZMGEO-YLJYHZDGSA-N	1	0	362.518	1.180	20	30		FDEDRO
COCCC[NH+]1CCC(N[C@H](Cc2ccc(C#N)cc2)C(=O)OC)CC1	ZINC001172251008	961599515	/nfs/dbraw/zinc/59/95/15/961599515.db2.gz	XKZKNNIJMYFOLW-LJQANCHMSA-N	1	0	359.470	1.733	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cn3cc(F)ccc3n2)c1C#N	ZINC001182253388	961659422	/nfs/dbraw/zinc/65/94/22/961659422.db2.gz	ZSWJKTPPEIOBMI-UHFFFAOYSA-N	1	0	355.377	1.401	20	30		FDEDRO
C#CCN(C(=O)NCCCCCCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1	ZINC000774195096	961821436	/nfs/dbraw/zinc/82/14/36/961821436.db2.gz	CCTNFFQPSJXTDX-INIZCTEOSA-N	1	0	357.520	1.330	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H](Cc2ccccc2)C(N)=O)C[C@H]1C#N	ZINC001172965470	961851773	/nfs/dbraw/zinc/85/17/73/961851773.db2.gz	FDEWTIGVFRIQON-IKGGRYGDSA-N	1	0	372.469	1.964	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CCN(CCO)CC2)C[C@H]1C#N	ZINC001172976292	961860092	/nfs/dbraw/zinc/86/00/92/961860092.db2.gz	NLCJWMCAFXIEGE-HOTGVXAUSA-N	1	0	352.479	1.324	20	30		FDEDRO
CC(=O)N1CCC[N@@H+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1	ZINC001172979944	961862298	/nfs/dbraw/zinc/86/22/98/961862298.db2.gz	IXCHZXUXRKIUMZ-CVEARBPZSA-N	1	0	350.463	1.832	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H](N[C@]2(C[NH3+])CN3CCC2CC3)C[C@H]1C#N	ZINC001172982139	961866938	/nfs/dbraw/zinc/86/69/38/961866938.db2.gz	UMFKGFDTPQAIJQ-TXPKVOOTSA-N	1	0	363.506	1.291	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](C[C@@H](O)CO)C(C)(C)C)C[C@H]1C#N	ZINC001172990694	961867719	/nfs/dbraw/zinc/86/77/19/961867719.db2.gz	XUWWMYNWQMAEIJ-QLFBSQMISA-N	1	0	355.479	1.732	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1	ZINC001172992189	961901084	/nfs/dbraw/zinc/90/10/84/961901084.db2.gz	RXFPBYPGHXJRNJ-KKUMJFAQSA-N	1	0	350.463	1.831	20	30		FDEDRO
NC(=O)c1ccc(C(=[NH2+])NC2CCN(C(=O)c3ccc(F)cc3)CC2)cc1	ZINC001172996467	961903600	/nfs/dbraw/zinc/90/36/00/961903600.db2.gz	BDCOGLKOMCRHNL-UHFFFAOYSA-N	1	0	368.412	1.935	20	30		FDEDRO
O=C(NCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1N=CC=CC1=O	ZINC000774245482	961908561	/nfs/dbraw/zinc/90/85/61/961908561.db2.gz	UVMSUONKWUCQMV-MSPKJWORSA-N	1	0	374.401	1.391	20	30		FDEDRO
CCCCCCCCC[C@@H](CCC)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO	ZINC001173284905	962002517	/nfs/dbraw/zinc/00/25/17/962002517.db2.gz	KRBVTJGLJQJBLH-RHQZKXFESA-N	1	0	361.523	1.528	20	30		FDEDRO
C=CCOC1CCC(N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)CC1	ZINC001173323610	962003700	/nfs/dbraw/zinc/00/37/00/962003700.db2.gz	GMELUYKALZVGAS-UHFFFAOYSA-N	1	0	369.487	1.596	20	30		FDEDRO
C=CCOC1CCC([N@H+]2CCc3nnc(Cn4cccn4)n3CC2)CC1	ZINC001173320934	962003932	/nfs/dbraw/zinc/00/39/32/962003932.db2.gz	UHESRAIDVRZGAL-UHFFFAOYSA-N	1	0	356.474	1.895	20	30		FDEDRO
C=CCOC1CCC([NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)CC1	ZINC001173327201	962006778	/nfs/dbraw/zinc/00/67/78/962006778.db2.gz	JBGQKKCZNSSNNV-UHFFFAOYSA-N	1	0	356.532	1.695	20	30		FDEDRO
CS(=O)(=O)N1CCOCC2(CC[NH+](C3CCC(CC#N)CC3)CC2)C1	ZINC001173333196	962007056	/nfs/dbraw/zinc/00/70/56/962007056.db2.gz	LTEYDLUKWNSBDA-UHFFFAOYSA-N	1	0	369.531	1.833	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC(N(CC[NH3+])c3ncccn3)CC2)cc1	ZINC001173421709	962118019	/nfs/dbraw/zinc/11/80/19/962118019.db2.gz	BESSORVQJRGHAP-UHFFFAOYSA-N	1	0	350.426	1.418	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+]CCC(=O)N3CCCC3)CC2)cc1	ZINC001173423668	962123637	/nfs/dbraw/zinc/12/36/37/962123637.db2.gz	LFHYUUZFNOPEHN-UHFFFAOYSA-N	1	0	354.454	1.765	20	30		FDEDRO
C=C(C)C(=O)OCC[NH2+]C1CCN(CC(=O)OCc2ccccc2)CC1	ZINC001173459867	962188173	/nfs/dbraw/zinc/18/81/73/962188173.db2.gz	AISSCDZJCFQMHI-UHFFFAOYSA-N	1	0	360.454	1.903	20	30		FDEDRO
Cn1cc(C(=O)N[C@@H]2C[N@@H+](C3CCC(C)(C#N)CC3)[C@@H]3CCCO[C@H]23)cn1	ZINC001173594424	962470780	/nfs/dbraw/zinc/47/07/80/962470780.db2.gz	CLTXVDVIPHQFLT-SYJBPTKTSA-N	1	0	371.485	1.854	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1	ZINC001183042734	962755173	/nfs/dbraw/zinc/75/51/73/962755173.db2.gz	BZQBJSFUMLRMFZ-YLJYHZDGSA-N	1	0	361.486	1.172	20	30		FDEDRO
C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC=C)CCCCC1	ZINC001110177001	962994944	/nfs/dbraw/zinc/99/49/44/962994944.db2.gz	CLBKODGKOQFCAO-SQNIBIBYSA-N	1	0	357.498	1.984	20	30		FDEDRO
C[C@H](CCCC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)[C@H]1C[C@H]1C(N)=O	ZINC001175287388	963121580	/nfs/dbraw/zinc/12/15/80/963121580.db2.gz	DWZOHBODKNTIKR-WQVCFCJDSA-N	1	0	360.433	1.583	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1cnnn1C	ZINC001175629907	963242890	/nfs/dbraw/zinc/24/28/90/963242890.db2.gz	MYTQHOMMGYBTIU-SZMVWBNQSA-N	1	0	363.506	1.951	20	30		FDEDRO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC(=O)NCC(=O)NCc1ccccc1	ZINC001183755080	963272716	/nfs/dbraw/zinc/27/27/16/963272716.db2.gz	OKAHCGZBKUJVOD-INIZCTEOSA-N	1	0	372.469	1.108	20	30		FDEDRO
Cn1ccnc1C1(O)CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1	ZINC001175844674	963296334	/nfs/dbraw/zinc/29/63/34/963296334.db2.gz	IBYCXRIYFJSWSB-UHFFFAOYSA-N	1	0	353.426	1.604	20	30		FDEDRO
C[NH+](C)C[C@@H]1COCCN1C(=O)[C@H]1CCCCN1Cc1ccccc1C#N	ZINC001183830568	963301110	/nfs/dbraw/zinc/30/11/10/963301110.db2.gz	FPOMEVSLBOFEPR-WOJBJXKFSA-N	1	0	370.497	1.702	20	30		FDEDRO
COc1ncnc(Nc2ccc(C(=O)NCCC[NH+](C)C)cc2)c1C#N	ZINC001175823776	963303562	/nfs/dbraw/zinc/30/35/62/963303562.db2.gz	QBOBGFFZUKHHJH-UHFFFAOYSA-N	1	0	354.414	1.782	20	30		FDEDRO
C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@H]1CN(c3cccc(C#N)c3)C(=O)O1)C2	ZINC001184378834	963564129	/nfs/dbraw/zinc/56/41/29/963564129.db2.gz	KCXRLFMDQSJOBC-IDHHARJASA-N	1	0	354.410	1.294	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1	ZINC001184492110	963617660	/nfs/dbraw/zinc/61/76/60/963617660.db2.gz	IULKXRGNWWOVAW-VNQPRFMTSA-N	1	0	363.408	1.561	20	30		FDEDRO
C[NH+](C)Cc1cc(=O)n2c(n1)CN(C(=O)Nc1ccc(C#N)cc1)CCC2	ZINC001184732114	963706084	/nfs/dbraw/zinc/70/60/84/963706084.db2.gz	VEMOVXZVEKSJQG-UHFFFAOYSA-N	1	0	366.425	1.614	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2CN(C(=O)CN(CCC#N)C(=O)OC(C)(C)C)C[C@H]21	ZINC001184855451	963739531	/nfs/dbraw/zinc/73/95/31/963739531.db2.gz	CGORQVGNRYZESF-LSDHHAIUSA-N	1	0	350.463	1.690	20	30		FDEDRO
CCC[NH+]1C[C@H]2CN(C(=O)CN(CCC#N)C(=O)OC(C)(C)C)C[C@@H]2C1	ZINC001184856142	963740146	/nfs/dbraw/zinc/74/01/46/963740146.db2.gz	NHHCNXHOZKWOEJ-HOTGVXAUSA-N	1	0	364.490	1.937	20	30		FDEDRO
C#CCCCNC(=O)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1	ZINC000774811558	963793394	/nfs/dbraw/zinc/79/33/94/963793394.db2.gz	NQQGEJWNDRTIFW-GOSISDBHSA-N	1	0	357.454	1.478	20	30		FDEDRO
N#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c3ccc(F)cc13)C2	ZINC001110205034	963793637	/nfs/dbraw/zinc/79/36/37/963793637.db2.gz	BELRJCJTRPAMEF-DQYPLSBCSA-N	1	0	369.400	1.282	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C	ZINC000774861080	963925225	/nfs/dbraw/zinc/92/52/25/963925225.db2.gz	UTVXZJIVAVUIBP-SNVBAGLBSA-N	1	0	360.277	1.492	20	30		FDEDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)C#Cc1ccccn1)C2	ZINC001177801108	963975036	/nfs/dbraw/zinc/97/50/36/963975036.db2.gz	QDPDWNOGIFKIAU-WIYYLYMNSA-N	1	0	353.466	1.640	20	30		FDEDRO
COc1cc(C)nc(N(C(=O)C#Cc2ccccn2)C2CC[NH2+]CC2)n1	ZINC001177802790	963975898	/nfs/dbraw/zinc/97/58/98/963975898.db2.gz	SHTKMJXEKKCZFO-UHFFFAOYSA-N	1	0	351.410	1.325	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccn(C)c(=O)c1	ZINC001110365941	964024266	/nfs/dbraw/zinc/02/42/66/964024266.db2.gz	FAQMGUNCQYXQID-DDBAPUKQSA-N	1	0	359.470	1.588	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2ccc(F)cc2)C1	ZINC001185759292	964090693	/nfs/dbraw/zinc/09/06/93/964090693.db2.gz	QNTHDJAWAUTTMG-ZACQAIPSSA-N	1	0	361.417	1.546	20	30		FDEDRO
Cn1cc([C@@H]2C[C@H]2C(=O)N2CC[C@@H]([NH2+]CC#Cc3ccc(F)cc3)C2)cn1	ZINC001185791401	964120112	/nfs/dbraw/zinc/12/01/12/964120112.db2.gz	DJBCXUZRZRBDMQ-HSALFYBXSA-N	1	0	366.440	1.905	20	30		FDEDRO
C#CCN(C(=O)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C)C1CCCC1	ZINC000774951616	964169270	/nfs/dbraw/zinc/16/92/70/964169270.db2.gz	WRZMKJQWWLPMTH-IBGZPJMESA-N	1	0	371.481	1.819	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](n2cc(C[NH2+]CCC)nn2)C1	ZINC001185942654	964206150	/nfs/dbraw/zinc/20/61/50/964206150.db2.gz	MMHOFBDFYOQZEF-KURKYZTESA-N	1	0	361.490	1.922	20	30		FDEDRO
C=CCC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)nn1	ZINC001185960989	964232064	/nfs/dbraw/zinc/23/20/64/964232064.db2.gz	BKVREFWWGMVVNV-WZGPROSRSA-N	1	0	373.501	1.922	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N(C)CC2CC2)[C@@H]1C	ZINC001178726051	964364032	/nfs/dbraw/zinc/36/40/32/964364032.db2.gz	WBUXMANXXOWZBO-RANZSIQMSA-N	1	0	363.502	1.415	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC12CCOCC2	ZINC001186511682	964538286	/nfs/dbraw/zinc/53/82/86/964538286.db2.gz	IBVJWKFVXNDRAU-CEXWTWQISA-N	1	0	370.497	1.392	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H](C)NC(C)=O)[C@@H]3C2)cc1C#N	ZINC001186749869	964705462	/nfs/dbraw/zinc/70/54/62/964705462.db2.gz	ONWNZUWJSKORCV-QANKJYHBSA-N	1	0	370.453	1.124	20	30		FDEDRO
C=C(C)CNC(=O)[C@@H]1C[N@@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1	ZINC001179156539	964752465	/nfs/dbraw/zinc/75/24/65/964752465.db2.gz	KWCWFOMNEUOIKY-HNNXBMFYSA-N	1	0	367.490	1.779	20	30		FDEDRO
N#CCSCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)C3CCCCC3)C[C@H]21	ZINC001186917404	964876207	/nfs/dbraw/zinc/87/62/07/964876207.db2.gz	NJGKTABZEROKCO-GVDBMIGSSA-N	1	0	351.516	1.717	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1ccc(OC)nn1	ZINC001179634559	964941002	/nfs/dbraw/zinc/94/10/02/964941002.db2.gz	UBMMGWTYXQDKML-SJORKVTESA-N	1	0	362.474	1.843	20	30		FDEDRO
COc1ccc([C@@H]2C[C@H]2C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]2C)cc1	ZINC001179685649	964943964	/nfs/dbraw/zinc/94/39/64/964943964.db2.gz	GYCMJVHEGVAUHJ-RUGDWHBFSA-N	1	0	370.453	1.017	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1CCCO[C@H]1C(=C)C	ZINC001179781101	964975566	/nfs/dbraw/zinc/97/55/66/964975566.db2.gz	KCKLZOAAASWGNW-HKUYNNGSSA-N	1	0	363.502	1.373	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCCCCC[NH2+]CC(=O)N(C)C	ZINC001179781203	964975831	/nfs/dbraw/zinc/97/58/31/964975831.db2.gz	PAYCCYVRPVLWFO-WMZOPIPTSA-N	1	0	353.507	1.712	20	30		FDEDRO
C=CCCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)COC3CCOCC3)C[C@H]21	ZINC001187198721	965081224	/nfs/dbraw/zinc/08/12/24/965081224.db2.gz	HXTNYWUCDXNABU-XYJFISCASA-N	1	0	352.475	1.042	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](CCOCCOc3ccccc3)C[C@H]21	ZINC001187334898	965202706	/nfs/dbraw/zinc/20/27/06/965202706.db2.gz	NJIIJJIRWSSHJF-JENIJYKNSA-N	1	0	357.454	1.774	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@H+](Cc3cccc4c3CCOC4)C[C@H]21	ZINC001187320671	965242543	/nfs/dbraw/zinc/24/25/43/965242543.db2.gz	ZUBHPFGWYRLGOX-FXAWDEMLSA-N	1	0	356.466	1.995	20	30		FDEDRO
NC(=O)C1CC[NH+](CCC(=O)N2CCC(C#Cc3ccccc3)CC2)CC1	ZINC001180609932	965440630	/nfs/dbraw/zinc/44/06/30/965440630.db2.gz	APFSBJXVALPOCW-UHFFFAOYSA-N	1	0	367.493	1.864	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C)ccc3F)C[C@H]21	ZINC001187591535	965511296	/nfs/dbraw/zinc/51/12/96/965511296.db2.gz	RALXWRPNTPKHTF-MAUKXSAKSA-N	1	0	357.429	1.306	20	30		FDEDRO
CCNC(=O)CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21	ZINC001187598542	965522154	/nfs/dbraw/zinc/52/21/54/965522154.db2.gz	RYDYCVUTNQRTOZ-FUHWJXTLSA-N	1	0	370.453	1.148	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H](CC#N)C(=O)N(CC[NH3+])c1ccc(F)cc1	ZINC001180785031	965553209	/nfs/dbraw/zinc/55/32/09/965553209.db2.gz	RQAZSSBSVYRTTI-AWEZNQCLSA-N	1	0	350.394	1.924	20	30		FDEDRO
C#CCNC(=O)[C@@H]1CSC2(CC[NH+](Cc3ccccc3)CC2)N1C(C)=O	ZINC001180821855	965595987	/nfs/dbraw/zinc/59/59/87/965595987.db2.gz	IOKQKNFQDAHCFF-SFHVURJKSA-N	1	0	371.506	1.692	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(N(C)C)c3)C[C@H]21	ZINC001187865442	965810332	/nfs/dbraw/zinc/81/03/32/965810332.db2.gz	OJROHRKRHPLLER-AZUAARDMSA-N	1	0	355.482	1.825	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](CCOc3cccc(F)c3)C[C@H]21	ZINC001187865804	965811503	/nfs/dbraw/zinc/81/15/03/965811503.db2.gz	VYCSCSBJXMICIF-TXPKVOOTSA-N	1	0	360.429	1.776	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C#CC(C)C)[C@@H]2C1	ZINC001187827392	965818385	/nfs/dbraw/zinc/81/83/85/965818385.db2.gz	GYNWRQDTBYDRBS-GBESFXJTSA-N	1	0	359.514	1.992	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@H+](CCOC[C@H]3CCCCO3)C[C@H]21	ZINC001187874177	965868453	/nfs/dbraw/zinc/86/84/53/965868453.db2.gz	OCIKCJSZXGXRGR-IPMKNSEASA-N	1	0	364.486	1.145	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@H+](CCc3ccc4c(c3)CCO4)C[C@H]21	ZINC001187874221	965868758	/nfs/dbraw/zinc/86/87/58/965868758.db2.gz	PRNPHCWQDGXGED-VQTJNVASSA-N	1	0	368.477	1.737	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@H+](Cc3cc(=O)[nH]c(C4CC4)n3)C[C@H]21	ZINC001187874277	965870661	/nfs/dbraw/zinc/87/06/61/965870661.db2.gz	QLBPLEZNTYCXEB-DOTOQJQBSA-N	1	0	370.453	1.132	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CC3(CS(C)(=O)=O)CC3)[C@@H]2C1	ZINC001187919720	965903627	/nfs/dbraw/zinc/90/36/27/965903627.db2.gz	UIXXYKMSUCODIA-JKSUJKDBSA-N	1	0	354.516	1.700	20	30		FDEDRO
CC(C)C(=O)N(C)CC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001188086899	965998557	/nfs/dbraw/zinc/99/85/57/965998557.db2.gz	FSHNATLWXYUNLI-RBUKOAKNSA-N	1	0	368.481	1.705	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1CC[C@H]2C[N@H+](CCOCCOC)C[C@H]21)OCC	ZINC001188095575	966008060	/nfs/dbraw/zinc/00/80/60/966008060.db2.gz	NTKDAQKECUZHHT-RCCFBDPRSA-N	1	0	354.491	1.553	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CCn3c(C)csc3=O)[C@@H]2C1	ZINC001188205840	966123435	/nfs/dbraw/zinc/12/34/35/966123435.db2.gz	ZWQKEYGTVZKYKF-JKSUJKDBSA-N	1	0	365.499	1.344	20	30		FDEDRO
CCc1noc(CC)c1CC(=O)N1CC[C@H]2C[N@H+](CC#CCOC)C[C@H]21	ZINC001188226537	966138031	/nfs/dbraw/zinc/13/80/31/966138031.db2.gz	PIRBHQOIIXJSDZ-MAUKXSAKSA-N	1	0	359.470	1.524	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCN(c4ccccc4)C3)[C@@H]2C1	ZINC001188314929	966193725	/nfs/dbraw/zinc/19/37/25/966193725.db2.gz	QOBQXTHWELXKGF-IRFCIJBXSA-N	1	0	367.493	1.695	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cnc4ccc(OC)nn43)[C@@H]2C1	ZINC001188370151	966242847	/nfs/dbraw/zinc/24/28/47/966242847.db2.gz	YKZDXHJLQJVICW-GOEBONIOSA-N	1	0	371.441	1.087	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(=O)n(CCOC)c3)[C@@H]2C1	ZINC001188441749	966291864	/nfs/dbraw/zinc/29/18/64/966291864.db2.gz	NZRVWUHKLLIEBY-FUHWJXTLSA-N	1	0	359.470	1.607	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)CC(=O)NC(C)C)[C@@H]2C1	ZINC001188450328	966322819	/nfs/dbraw/zinc/32/28/19/966322819.db2.gz	PPECUKJIBDJKPI-OKZBNKHCSA-N	1	0	364.534	1.330	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)COCc3nnc(C)s3)[C@@H]2C1	ZINC001188470064	966340146	/nfs/dbraw/zinc/34/01/46/966340146.db2.gz	HDTZRRMTZSHZHZ-LSDHHAIUSA-N	1	0	350.488	1.862	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(Br)c[nH]3)[C@@H]2C1	ZINC001188476380	966347842	/nfs/dbraw/zinc/34/78/42/966347842.db2.gz	MCKXRMZAIZIQKC-SWLSCSKDSA-N	1	0	366.259	1.573	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3nc(C)n4ccccc34)[C@@H]2C1	ZINC001188554147	966389575	/nfs/dbraw/zinc/38/95/75/966389575.db2.gz	LBHRRMQHQZUMDD-FUHWJXTLSA-N	1	0	354.454	1.992	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C)cn4ccnc34)[C@@H]2C1	ZINC001188636153	966480710	/nfs/dbraw/zinc/48/07/10/966480710.db2.gz	HSJNNIITMWMMAJ-FUHWJXTLSA-N	1	0	354.454	1.992	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc4[nH]ncc43)[C@@H]2C1	ZINC001188738173	966547358	/nfs/dbraw/zinc/54/73/58/966547358.db2.gz	DPTJFVDHRNTKGL-QWQRMKEZSA-N	1	0	367.453	1.400	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(CCCS(C)(=O)=O)C[C@H]32)cc1	ZINC001188744023	966552986	/nfs/dbraw/zinc/55/29/86/966552986.db2.gz	ITHAISMCBIWGLE-ZWKOTPCHSA-N	1	0	360.479	1.249	20	30		FDEDRO
Cc1ccc(CN(C)C(=O)CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H](C)C#N)C3)o1	ZINC001110401852	966556416	/nfs/dbraw/zinc/55/64/16/966556416.db2.gz	PPRRDQHRXHFLNW-JFOHDYCDSA-N	1	0	358.442	1.428	20	30		FDEDRO
C#CCCCCCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21	ZINC001188793631	966556776	/nfs/dbraw/zinc/55/67/76/966556776.db2.gz	KEHFTAFXNFTYMQ-GBESFXJTSA-N	1	0	358.486	1.360	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCCOc1ccccc1	ZINC001110401834	966556959	/nfs/dbraw/zinc/55/69/59/966556959.db2.gz	PIMGPNXVQBJQRX-AHCXZYCDSA-N	1	0	370.453	1.063	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cnc4c(c3)ncn4C)[C@@H]2C1	ZINC001188760060	966564278	/nfs/dbraw/zinc/56/42/78/966564278.db2.gz	SDRASKBJMMQBRE-WMLDXEAASA-N	1	0	355.442	1.317	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(c3)[C@H](C)CO4)[C@@H]2C1	ZINC001188857223	966624631	/nfs/dbraw/zinc/62/46/31/966624631.db2.gz	XGTIVDKWLAFBDP-HHXXYDBFSA-N	1	0	354.450	1.979	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH]c4cnccc34)[C@@H]2C1	ZINC001188931602	966651627	/nfs/dbraw/zinc/65/16/27/966651627.db2.gz	GTXCUNVEUMIWNK-HNAYVOBHSA-N	1	0	352.438	1.288	20	30		FDEDRO
CC[C@H](NC(C)=O)C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001189194378	966815792	/nfs/dbraw/zinc/81/57/92/966815792.db2.gz	FRCJZUWDVGCYNV-GBESFXJTSA-N	1	0	354.454	1.506	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3nnc4ccccc4c3O)[C@@H]2C1	ZINC001189276972	966894896	/nfs/dbraw/zinc/89/48/96/966894896.db2.gz	MIBZDGYITZLOMR-WMLDXEAASA-N	1	0	368.437	1.684	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)COc3ccsc3Cl)[C@@H]2C1	ZINC001189390759	966935063	/nfs/dbraw/zinc/93/50/63/966935063.db2.gz	JEUPASWAGWDCMY-UONOGXRCSA-N	1	0	368.886	1.963	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c(C)cc(C)nc3=O)[C@@H]2C1	ZINC001189537568	967059903	/nfs/dbraw/zinc/05/99/03/967059903.db2.gz	JHBSMQKRYBOZLL-BPQIPLTHSA-N	1	0	358.486	1.748	20	30		FDEDRO
C#C[C@H](NC(=O)NCC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CCCO1	ZINC000852259718	967163518	/nfs/dbraw/zinc/16/35/18/967163518.db2.gz	KHABSYDNWLAAIY-RBUKOAKNSA-N	1	0	356.470	1.774	20	30		FDEDRO
C=CC[N@@H+](CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@H](C)COC	ZINC000852357231	967249362	/nfs/dbraw/zinc/24/93/62/967249362.db2.gz	YFKSGSNIYTYNIF-MRXNPFEDSA-N	1	0	369.506	1.979	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1	ZINC000852359980	967250111	/nfs/dbraw/zinc/25/01/11/967250111.db2.gz	QODWKZKAHYRMRH-OLZOCXBDSA-N	1	0	362.396	1.040	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)[C@@H]2C1	ZINC001189771336	967253709	/nfs/dbraw/zinc/25/37/09/967253709.db2.gz	LEWRZJCJDFQDAN-JKSUJKDBSA-N	1	0	362.474	1.160	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NCc3ncccn3)CC2)c1	ZINC000852401218	967275962	/nfs/dbraw/zinc/27/59/62/967275962.db2.gz	IEYBSYBHCSELBX-UHFFFAOYSA-N	1	0	350.426	1.812	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)C1=O	ZINC000852452304	967328309	/nfs/dbraw/zinc/32/83/09/967328309.db2.gz	UYCZAKDBXFXPCS-KBPBESRZSA-N	1	0	367.371	1.883	20	30		FDEDRO
C#CCNC(=O)CC[N@H+]1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1	ZINC000852478658	967362760	/nfs/dbraw/zinc/36/27/60/967362760.db2.gz	WOGVZLPWOGKKGR-LSDHHAIUSA-N	1	0	373.419	1.781	20	30		FDEDRO
COc1ccc(N2CC[NH+](C[C@@H](O)CN([C@@H](C)C#N)C3CC3)CC2)cc1	ZINC000852479555	967363890	/nfs/dbraw/zinc/36/38/90/967363890.db2.gz	GNNGKGMWIKONQU-QFBILLFUSA-N	1	0	358.486	1.555	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)COc3ccccc3)[C@@H]2C1	ZINC001189930768	967379353	/nfs/dbraw/zinc/37/93/53/967379353.db2.gz	COLYWTMMTJEVRY-XYJFISCASA-N	1	0	357.454	1.289	20	30		FDEDRO
C#C[C@@H](NC(=O)NC1CC[NH+](CCOC(C)C)CC1)C1CCOCC1	ZINC000852644615	967496227	/nfs/dbraw/zinc/49/62/27/967496227.db2.gz	RLVCCBMKZHPFIG-GOSISDBHSA-N	1	0	351.491	1.603	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc4c(c3)OCCO4)[C@@H]2C1	ZINC001190051315	967518505	/nfs/dbraw/zinc/51/85/05/967518505.db2.gz	XQEZKCBIHWJFCQ-ZWKOTPCHSA-N	1	0	370.449	1.183	20	30		FDEDRO
C#C[C@@H]([NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OC)c1)[C@H]1CCCO1	ZINC000775341269	967519118	/nfs/dbraw/zinc/51/91/18/967519118.db2.gz	LBOMAFISUIUSMM-ZIAGYGMSSA-N	1	0	352.818	1.483	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1	ZINC000852704467	967546934	/nfs/dbraw/zinc/54/69/34/967546934.db2.gz	CVPZWSOXSRXEOE-UHFFFAOYSA-N	1	0	360.502	1.279	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)COc3cccc(Cl)c3)[C@@H]2C1	ZINC001190081258	967548635	/nfs/dbraw/zinc/54/86/35/967548635.db2.gz	HJHURBPBNPXQPC-MAUKXSAKSA-N	1	0	362.857	1.901	20	30		FDEDRO
COc1cc(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)ccc1C#N	ZINC000852772460	967596418	/nfs/dbraw/zinc/59/64/18/967596418.db2.gz	KNWALTANUGLUME-YOEHRIQHSA-N	1	0	370.453	1.287	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCCN(C(=O)CCc2ccccc2)CC1	ZINC000852822212	967633455	/nfs/dbraw/zinc/63/34/55/967633455.db2.gz	LNJWJPMHTPZWKU-UHFFFAOYSA-N	1	0	367.493	1.683	20	30		FDEDRO
CC(C)(Oc1ccc(Br)cc1)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N	ZINC000852827480	967638792	/nfs/dbraw/zinc/63/87/92/967638792.db2.gz	JNUBNDONXBNPPK-ZWNOBZJWSA-N	1	0	352.232	1.834	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3nccs3)[C@@H]2C1	ZINC001190227581	967642661	/nfs/dbraw/zinc/64/26/61/967642661.db2.gz	NGCYEGFPIUSJRA-SOUVJXGZSA-N	1	0	362.499	1.299	20	30		FDEDRO
Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C#CC1CC[NH2+]CC1	ZINC000852844723	967651559	/nfs/dbraw/zinc/65/15/59/967651559.db2.gz	ZCHGRPCYHCXANI-UHFFFAOYSA-N	1	0	355.438	1.409	20	30		FDEDRO
C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1	ZINC001190203680	967658569	/nfs/dbraw/zinc/65/85/69/967658569.db2.gz	LQLVLQZOWUULDT-ZWKOTPCHSA-N	1	0	362.518	1.087	20	30		FDEDRO
NC(=O)[C@@H]1CCCN1Cc1cccc(NC(=O)C#CC2CC[NH2+]CC2)c1	ZINC000852860789	967666102	/nfs/dbraw/zinc/66/61/02/967666102.db2.gz	VAJKHNBQJDUCKR-SFHVURJKSA-N	1	0	354.454	1.078	20	30		FDEDRO
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C#CC3CC[NH2+]CC3)cc2)C1	ZINC000852861632	967667394	/nfs/dbraw/zinc/66/73/94/967667394.db2.gz	YHRGYLXHVHIEEP-SFHVURJKSA-N	1	0	368.481	1.008	20	30		FDEDRO
N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1	ZINC000852875610	967681491	/nfs/dbraw/zinc/68/14/91/967681491.db2.gz	KYFTWCLZDCHNAJ-ZZVYKPCYSA-N	1	0	365.231	1.149	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCOC[C@@H]1c1noc(-c2ccccc2)n1	ZINC000852891448	967692848	/nfs/dbraw/zinc/69/28/48/967692848.db2.gz	YVGWKNIJFVTEKP-QGZVFWFLSA-N	1	0	366.421	1.640	20	30		FDEDRO
CC(=O)N1CCN(c2cccc(NC(=O)C#CC3CC[NH2+]CC3)c2)CC1	ZINC000852891048	967692965	/nfs/dbraw/zinc/69/29/65/967692965.db2.gz	WTVMKWCGDNDXLA-UHFFFAOYSA-N	1	0	354.454	1.297	20	30		FDEDRO
C[C@@H]1C[C@H]1c1noc(CC2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)n1	ZINC000852895956	967694200	/nfs/dbraw/zinc/69/42/00/967694200.db2.gz	NYTNFXJXWUKGBK-RHSMWYFYSA-N	1	0	356.470	1.977	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCNC(=O)c3cnccn3)[C@@H]2C1	ZINC001190255426	967698005	/nfs/dbraw/zinc/69/80/05/967698005.db2.gz	SHGHVZIZNBHWPO-DOTOQJQBSA-N	1	0	357.458	1.095	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC[C@H]1CCCO1	ZINC001110424954	967743833	/nfs/dbraw/zinc/74/38/33/967743833.db2.gz	BAVFYPPQHZRMQR-MKXGPGLRSA-N	1	0	366.502	1.886	20	30		FDEDRO
N#Cc1ncc(Br)cc1N1CCC[C@@H](n2cc(C[NH3+])nn2)C1	ZINC000853015912	967775366	/nfs/dbraw/zinc/77/53/66/967775366.db2.gz	HLNIMMYWBZMCGN-GFCCVEGCSA-N	1	0	362.235	1.607	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(c3)[nH]c(=O)n4C)[C@@H]2C1	ZINC001190358699	967778505	/nfs/dbraw/zinc/77/85/05/967778505.db2.gz	VOMXETFYQKSKGN-MAUKXSAKSA-N	1	0	370.453	1.628	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2	ZINC001110661236	967836273	/nfs/dbraw/zinc/83/62/73/967836273.db2.gz	NWXMCIAIKJWZJE-ZRNYENFQSA-N	1	0	359.514	1.765	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](CCn3c(C)csc3=O)C[C@H]21	ZINC001190450221	967879184	/nfs/dbraw/zinc/87/91/84/967879184.db2.gz	TWJVARWKYGPNJT-HRCADAONSA-N	1	0	365.499	1.342	20	30		FDEDRO
C[C@@H](C(=O)O[C@@H](C[NH+](C)C)c1cc(F)c(F)c(F)c1)n1cnc(C#N)n1	ZINC000853214917	967922749	/nfs/dbraw/zinc/92/27/49/967922749.db2.gz	PAKLQYVZUXXSRJ-ZANVPECISA-N	1	0	367.331	1.974	20	30		FDEDRO
C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)CC3CCC(C)(C)CC3)[C@@H]2C1	ZINC001190541487	967938007	/nfs/dbraw/zinc/93/80/07/967938007.db2.gz	ABMPXWPAMGHQDM-ZWKOTPCHSA-N	1	0	359.514	1.875	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc1	ZINC001190583762	967968449	/nfs/dbraw/zinc/96/84/49/967968449.db2.gz	GGDOGWDRUJRCAH-UHFFFAOYSA-N	1	0	350.426	1.444	20	30		FDEDRO
O=S1(=O)C=C(NNc2nc(N3CCOCC3)cc[nH+]2)c2ccccc2C1	ZINC000853317819	967968520	/nfs/dbraw/zinc/96/85/20/967968520.db2.gz	GAWVKEYAGLCORD-UHFFFAOYSA-N	1	0	373.438	1.058	20	30		FDEDRO
N#Cc1ccc(F)c(S(=O)(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1	ZINC001190639898	967999183	/nfs/dbraw/zinc/99/91/83/967999183.db2.gz	JNEAWYSJNHAWKO-UHFFFAOYSA-N	1	0	366.462	1.099	20	30		FDEDRO
N#Cc1cccnc1NCCNC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1	ZINC000853482157	968044704	/nfs/dbraw/zinc/04/47/04/968044704.db2.gz	RCCWTKSJHCYYQS-KRWDZBQOSA-N	1	0	372.473	1.261	20	30		FDEDRO
C[C@@]12COC[C@H]1C[N@H+](CN1CC(=O)N(Cc3ccccc3C#N)C1=O)C2	ZINC000853567671	968130746	/nfs/dbraw/zinc/13/07/46/968130746.db2.gz	WHQYAOJRZBZQLP-VQIMIIECSA-N	1	0	354.410	1.248	20	30		FDEDRO
N#Cc1ccc(Cl)c(S(=O)(=O)N[C@H]2CC[N@@H+](C3CCOCC3)C2)c1	ZINC001190998020	968245796	/nfs/dbraw/zinc/24/57/96/968245796.db2.gz	LOFVWTWILDKPDL-ZDUSSCGKSA-N	1	0	369.874	1.743	20	30		FDEDRO
C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2CC[C@@H](COCCOC)C2)c1	ZINC001191297211	968405675	/nfs/dbraw/zinc/40/56/75/968405675.db2.gz	BFYYGSQJSZEYGL-MRXNPFEDSA-N	1	0	359.426	1.301	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1	ZINC000853988692	968502266	/nfs/dbraw/zinc/50/22/66/968502266.db2.gz	BODXCMBMTVGAQB-KKUMJFAQSA-N	1	0	365.478	1.529	20	30		FDEDRO
CC(C)([NH3+])CN(C(=O)c1ccnc(C#N)c1)S(=O)(=O)c1ccccc1	ZINC001191557451	968612716	/nfs/dbraw/zinc/61/27/16/968612716.db2.gz	BGXWCARLCJMGKK-UHFFFAOYSA-N	1	0	358.423	1.522	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1CN(CCOc2ccccc2C(F)(F)F)C[C@H]1O	ZINC001191880546	968831671	/nfs/dbraw/zinc/83/16/71/968831671.db2.gz	AYJYCQUUOIVTIX-IACUBPJLSA-N	1	0	371.359	1.405	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncc3ncn(C)c31)C2	ZINC001110684596	968883526	/nfs/dbraw/zinc/88/35/26/968883526.db2.gz	QHOGMQBRVXVMRU-UNEWFSDZSA-N	1	0	355.442	1.506	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3cncn3)cc1)C2	ZINC001110687325	968916480	/nfs/dbraw/zinc/91/64/80/968916480.db2.gz	ITMHQNKHMNVGFX-QRVBRYPASA-N	1	0	367.453	1.805	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2	ZINC000854543031	968971739	/nfs/dbraw/zinc/97/17/39/968971739.db2.gz	USZLMPHCXFUYOL-MRXNPFEDSA-N	1	0	353.466	1.908	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCOc3ccccc3)C[C@H]2O)[nH]1	ZINC001192248891	969004852	/nfs/dbraw/zinc/00/48/52/969004852.db2.gz	MITBCFIKRFPJPJ-QZTJIDSGSA-N	1	0	354.410	1.130	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCCCC3CCOCC3)C[C@H]2O)c[nH]1	ZINC001192298095	969050405	/nfs/dbraw/zinc/05/04/05/969050405.db2.gz	AHRFKRFDZQRRAL-QZTJIDSGSA-N	1	0	360.458	1.258	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[N@@H+](CC)[C@H]2CCNC2=O)CC1	ZINC000957713069	1013854107	/nfs/dbraw/zinc/85/41/07/1013854107.db2.gz	KGYWOSIBKPISMZ-SQNIBIBYSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCCCC2CCOCC2)C[C@H]1O	ZINC001192531647	969176622	/nfs/dbraw/zinc/17/66/22/969176622.db2.gz	ZCQHZAISTWJRSP-LMMKCTJWSA-N	1	0	354.491	1.072	20	30		FDEDRO
C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001192787447	969291816	/nfs/dbraw/zinc/29/18/16/969291816.db2.gz	HQBRGAVZONOWKB-ZIFCJYIRSA-N	1	0	354.454	1.157	20	30		FDEDRO
COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2c2ccccc2)C1	ZINC001192795438	969302980	/nfs/dbraw/zinc/30/29/80/969302980.db2.gz	YWMLPSRYZIUZGK-VAMGGRTRSA-N	1	0	356.466	1.742	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(CC(C)C)cc2)C[C@H]1O	ZINC001192899639	969354797	/nfs/dbraw/zinc/35/47/97/969354797.db2.gz	RXNUBKKLNMSEPO-PWIZWCRZSA-N	1	0	358.482	1.585	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H](CC)OC)C[C@H]2O)cc1	ZINC001192900052	969355616	/nfs/dbraw/zinc/35/56/16/969355616.db2.gz	ZSPDQCVPSXLOSD-BHIYHBOVSA-N	1	0	360.454	1.289	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cc(OC)ccc2OC)C1	ZINC001192962137	969379308	/nfs/dbraw/zinc/37/93/08/969379308.db2.gz	MJHOWMTYXLLQGM-JCHJZTRSSA-N	1	0	374.481	1.935	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)c2ccoc2)C1	ZINC001193174935	969503641	/nfs/dbraw/zinc/50/36/41/969503641.db2.gz	WAFYJEDXJYCCMA-DJIMGWMZSA-N	1	0	363.458	1.306	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1CN(CC(=O)N2CCCCCC2)C[C@H]1O	ZINC001193327477	969637164	/nfs/dbraw/zinc/63/71/64/969637164.db2.gz	AMKOHERAEZPRGE-HZPDHXFCSA-N	1	0	351.491	1.153	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Br)n[nH]2)C1	ZINC001193407528	969658589	/nfs/dbraw/zinc/65/85/89/969658589.db2.gz	HNCTZDSQFUCQGU-YUSALJHKSA-N	1	0	357.252	1.302	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2CN(C)C)C1	ZINC001193384597	969672286	/nfs/dbraw/zinc/67/22/86/969672286.db2.gz	OMPOKHWTIGPQDZ-FVQBIDKESA-N	1	0	351.516	1.939	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCOc2ccc(C)cc2C)C1	ZINC001193519803	969733721	/nfs/dbraw/zinc/73/37/21/969733721.db2.gz	CUFLBMOSBYNXFV-QZTJIDSGSA-N	1	0	362.470	1.436	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCC(F)(F)C3)C[C@H]2O)CCOCC1	ZINC001193727647	969818894	/nfs/dbraw/zinc/81/88/94/969818894.db2.gz	KMLYVDFKTKMCNB-BZUAXINKSA-N	1	0	370.440	1.403	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](CCc3ccc(C)cc3)C[C@H]2O)CCOCC1	ZINC001193718994	969840712	/nfs/dbraw/zinc/84/07/12/969840712.db2.gz	LUTYEFRNMYLASP-WOJBJXKFSA-N	1	0	370.493	1.519	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[N@@H+](CC)[C@@H]2CCNC2=O)CC1	ZINC000957762976	1013927037	/nfs/dbraw/zinc/92/70/37/1013927037.db2.gz	YINXEBFLYQULED-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)N(C)CCO3)C1	ZINC001194062894	969981279	/nfs/dbraw/zinc/98/12/79/969981279.db2.gz	CLIZQHXQNVKKFX-QGPMSJSTSA-N	1	0	359.470	1.645	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(C)cccc2Cl)C1	ZINC001194415129	970163902	/nfs/dbraw/zinc/16/39/02/970163902.db2.gz	CLDJZOVAZYMKIO-IAGOWNOFSA-N	1	0	352.862	1.555	20	30		FDEDRO
N#Cc1cccc(OCC(=O)NCC2CC[NH+](C3CCOCC3)CC2)c1	ZINC000855201234	970205883	/nfs/dbraw/zinc/20/58/83/970205883.db2.gz	AOWGCHSHIXXGNP-UHFFFAOYSA-N	1	0	357.454	1.944	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](NC(C)=O)C2CCCC2)C1	ZINC001194545256	970242512	/nfs/dbraw/zinc/24/25/12/970242512.db2.gz	NWGQBPNZPPYPOO-GUDVDZBRSA-N	1	0	367.534	1.813	20	30		FDEDRO
N#Cc1ccc([C@H](O)C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1	ZINC000855403992	970337534	/nfs/dbraw/zinc/33/75/34/970337534.db2.gz	SOMLVNMMRXHIOJ-UXHICEINSA-N	1	0	365.433	1.475	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncc3cc(C)cnc32)C1	ZINC001194736861	970343471	/nfs/dbraw/zinc/34/34/71/970343471.db2.gz	BHYKFCMTTSELTF-QZTJIDSGSA-N	1	0	371.485	1.647	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NCC[C@@H](C)[NH+](C)C)ccc1F	ZINC000855410028	970350308	/nfs/dbraw/zinc/35/03/08/970350308.db2.gz	ALYORTDGXWITOS-GFCCVEGCSA-N	1	0	357.451	1.360	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(C)sc1C	ZINC001110461696	970425761	/nfs/dbraw/zinc/42/57/61/970425761.db2.gz	DUTCPSKLVAUUBI-FMKPAKJESA-N	1	0	360.483	1.121	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnoc2-c2cnn(C)c2)C1	ZINC001194917298	970520715	/nfs/dbraw/zinc/52/07/15/970520715.db2.gz	MNXWEJPJROVNQW-APHBMKBZSA-N	1	0	359.430	1.205	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCCc2c[nH]nn2)C1	ZINC001194931982	970532289	/nfs/dbraw/zinc/53/22/89/970532289.db2.gz	PWKCDKPPHLPTCC-IAGOWNOFSA-N	1	0	351.495	1.649	20	30		FDEDRO
CC[C@@H](CC#N)[NH2+]C[C@H](O)COc1cn(-c2ccccc2)nc1C(=O)OC	ZINC001194940807	970539350	/nfs/dbraw/zinc/53/93/50/970539350.db2.gz	AONITLZBGPUCIM-HOCLYGCPSA-N	1	0	372.425	1.680	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc(C3CCC3)cc2)C1	ZINC001195037174	970627772	/nfs/dbraw/zinc/62/77/72/970627772.db2.gz	FJZPLSGXVBQKMT-WOJBJXKFSA-N	1	0	358.482	1.861	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](OCC)C2CCOCC2)C1	ZINC001195038325	970630953	/nfs/dbraw/zinc/63/09/53/970630953.db2.gz	UDUFSGPVRDDSOV-GUDVDZBRSA-N	1	0	368.518	1.726	20	30		FDEDRO
CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)C1	ZINC000775634571	970670262	/nfs/dbraw/zinc/67/02/62/970670262.db2.gz	UTBINHMOCKVFML-JLYMINNFSA-N	1	0	371.384	1.470	20	30		FDEDRO
Cc1ccc(C(=O)N2CC[N@@H+]3CC[C@H]3C2)cc1C#Cc1cnc2cccnn12	ZINC001197918402	972547324	/nfs/dbraw/zinc/54/73/24/972547324.db2.gz	QZHRNKQSRBCZBB-FQEVSTJZSA-N	1	0	371.444	1.968	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCCC3CCOCC3)C[C@H]2O)nc1	ZINC001197926444	972554625	/nfs/dbraw/zinc/55/46/25/972554625.db2.gz	MDNUOQXXVFRFIP-WOJBJXKFSA-N	1	0	371.481	1.435	20	30		FDEDRO
C#C[C@H]([NH2+]CCCS(=O)(=O)c1ccc(NC(C)=O)cc1)[C@@H]1CCCO1	ZINC000775798701	972567804	/nfs/dbraw/zinc/56/78/04/972567804.db2.gz	LHWSVPRIHUELQV-ROUUACIJSA-N	1	0	364.467	1.579	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(F)(F)F)cc2)C1	ZINC001198068843	972759750	/nfs/dbraw/zinc/75/97/50/972759750.db2.gz	MWEINEIMMALWOG-HUUCEWRRSA-N	1	0	358.360	1.683	20	30		FDEDRO
CCC1([NH+]2CCOCC2)CCN(Cn2nc(CC#N)n(C)c2=S)CC1	ZINC000863328473	972812128	/nfs/dbraw/zinc/81/21/28/972812128.db2.gz	VDJULNXPRHETTJ-UHFFFAOYSA-N	1	0	364.519	1.551	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCCO3)C[C@H]2O)CCOCC1	ZINC001198238866	972927199	/nfs/dbraw/zinc/92/71/99/972927199.db2.gz	DEEPRMLVWUGRPQ-KZNAEPCWSA-N	1	0	366.502	1.480	20	30		FDEDRO
C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@H](O)CC1(C#N)CCOCC1	ZINC000863553550	973011132	/nfs/dbraw/zinc/01/11/32/973011132.db2.gz	DVVYLCOJIPLDGZ-HUUCEWRRSA-N	1	0	355.479	1.808	20	30		FDEDRO
COc1ccc(OC)c([C@@H](O)C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)c1	ZINC000863559733	973017208	/nfs/dbraw/zinc/01/72/08/973017208.db2.gz	UFYPBYVVCAZEHD-YOEHRIQHSA-N	1	0	364.442	1.398	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]C[C@H](O)COc2cccc(F)c2)CCOCC1	ZINC000863559946	973017301	/nfs/dbraw/zinc/01/73/01/973017301.db2.gz	ZLYCLRFLDHLABC-HOTGVXAUSA-N	1	0	352.406	1.226	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCc2nc(CCC)no2)C1	ZINC001198654733	973359246	/nfs/dbraw/zinc/35/92/46/973359246.db2.gz	TUWQOYCAKJJZSN-BZUAXINKSA-N	1	0	364.490	1.861	20	30		FDEDRO
O=C(CCC[NH+]1CCCCC1)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O	ZINC001198729389	973428651	/nfs/dbraw/zinc/42/86/51/973428651.db2.gz	MXOIQQAKLYIRGG-NHCUHLMSSA-N	1	0	369.509	1.466	20	30		FDEDRO
C#CCC[NH2+][C@@H](CNC(=O)[C@H]1C[C@@H](C)CC(=O)N1)c1ccccc1OC	ZINC001198732165	973433520	/nfs/dbraw/zinc/43/35/20/973433520.db2.gz	GYMKAESXHAIAIZ-OIISXLGYSA-N	1	0	357.454	1.380	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)C(C)C)C1	ZINC001198785412	973472048	/nfs/dbraw/zinc/47/20/48/973472048.db2.gz	OQASUMPZLCJBFD-FGTMMUONSA-N	1	0	367.534	1.765	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC2CCN(C(C)=O)CC2)C1	ZINC001198871004	973639373	/nfs/dbraw/zinc/63/93/73/973639373.db2.gz	TZLJVPMDQLBSJU-KFKAGJAMSA-N	1	0	365.518	1.541	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000645253139	1014142988	/nfs/dbraw/zinc/14/29/88/1014142988.db2.gz	WQGMZJSOXGFNKS-OALUTQOASA-N	1	0	358.486	1.049	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N[C@@H]2C[N@H+](CCC[C@@H](C)O)C[C@H]2O)cc1	ZINC001199216904	974032227	/nfs/dbraw/zinc/03/22/27/974032227.db2.gz	JSPKACWIUBCHSR-ATZDWAIDSA-N	1	0	362.470	1.116	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N[C@@H]2C[N@H+](CCC[C@H](C)O)C[C@H]2O)cc1	ZINC001199216905	974033120	/nfs/dbraw/zinc/03/31/20/974033120.db2.gz	JSPKACWIUBCHSR-KFKAGJAMSA-N	1	0	362.470	1.116	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@](C)(NC(C)=O)C(C)C)C1	ZINC001199262292	974096727	/nfs/dbraw/zinc/09/67/27/974096727.db2.gz	YTTRPKODDVVRIA-LMMKCTJWSA-N	1	0	353.507	1.445	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(CC)cc2)C[C@H]1O	ZINC001199293062	974133875	/nfs/dbraw/zinc/13/38/75/974133875.db2.gz	ZYJSQKFOYPKVBZ-GUDVDZBRSA-N	1	0	362.470	1.036	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccc(Cl)cc2C)C[C@H]1O	ZINC001199311854	974151702	/nfs/dbraw/zinc/15/17/02/974151702.db2.gz	CGJUQQQIRIQGJS-IAOVAPTHSA-N	1	0	352.862	1.901	20	30		FDEDRO
CCOC(=O)c1ccc(C#N)c(SCC(=O)NC2CC[NH+](C)CC2)n1	ZINC000865351061	974251339	/nfs/dbraw/zinc/25/13/39/974251339.db2.gz	UFCXNHFWDXKEGN-UHFFFAOYSA-N	1	0	362.455	1.432	20	30		FDEDRO
C=CCn1c(SCC(=O)NC2CC[NH+](C)CC2)nnc1-c1cnccn1	ZINC000865359872	974255603	/nfs/dbraw/zinc/25/56/03/974255603.db2.gz	FVCXYRMHCCZXOO-UHFFFAOYSA-N	1	0	373.486	1.224	20	30		FDEDRO
C#CC[C@H](CC(=O)N[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1O)c1ccccc1	ZINC001199466604	974278567	/nfs/dbraw/zinc/27/85/67/974278567.db2.gz	MOGNYKGEDFWXDB-VAMGGRTRSA-N	1	0	358.482	1.770	20	30		FDEDRO
C#CC[C@H](CC(=O)N[C@@H]1CN(Cc2cnc(C)o2)C[C@H]1O)c1ccccc1	ZINC001199506184	974327697	/nfs/dbraw/zinc/32/76/97/974327697.db2.gz	QEKYKONJLDOMIA-MISYRCLQSA-N	1	0	367.449	1.842	20	30		FDEDRO
Cc1cccc(N(C(=O)c2cnc(C#N)cn2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1	ZINC001199664302	974450068	/nfs/dbraw/zinc/45/00/68/974450068.db2.gz	DFXXSOZDVZPODN-FXAWDEMLSA-N	1	0	363.421	1.825	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOc1ccccc1OC	ZINC001110544973	974596102	/nfs/dbraw/zinc/59/61/02/974596102.db2.gz	NNAXOAFEYYKSIV-KURKYZTESA-N	1	0	372.465	1.835	20	30		FDEDRO
C[C@@H]1CN(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C[C@H](C)N1CC#N	ZINC000866049287	974641631	/nfs/dbraw/zinc/64/16/31/974641631.db2.gz	NILQQDLXRYCSMB-CALCHBBNSA-N	1	0	370.501	1.888	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C(N)=O)cc1	ZINC001110553523	974772149	/nfs/dbraw/zinc/77/21/49/974772149.db2.gz	UFGPRJXYIAWIJQ-KURKYZTESA-N	1	0	355.438	1.047	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCOC2CCC2)C1	ZINC001200528500	974808056	/nfs/dbraw/zinc/80/80/56/974808056.db2.gz	LVOQOMPVTSKURS-OTWHNJEPSA-N	1	0	366.502	1.744	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)CCCO1	ZINC001200548371	974817315	/nfs/dbraw/zinc/81/73/15/974817315.db2.gz	UGYRHQOPJUEGRU-GUTXKFCHSA-N	1	0	359.264	1.139	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)NC2CCCC2)CC1	ZINC001200626735	974846593	/nfs/dbraw/zinc/84/65/93/974846593.db2.gz	AWRDNRULPIHBHW-MSOLQXFVSA-N	1	0	363.502	1.607	20	30		FDEDRO
C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)CCCO1	ZINC001200711798	974879097	/nfs/dbraw/zinc/87/90/97/974879097.db2.gz	COTYVOIGEDCBGZ-ZCNNSNEGSA-N	1	0	356.466	1.995	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)CCCO1	ZINC001200721125	974882258	/nfs/dbraw/zinc/88/22/58/974882258.db2.gz	HNSWICBUGZTSBP-GUDVDZBRSA-N	1	0	360.454	1.536	20	30		FDEDRO
COCC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccsc2)CCCO1	ZINC001200796147	974908717	/nfs/dbraw/zinc/90/87/17/974908717.db2.gz	ULIKLOIJWQNSBJ-OKZBNKHCSA-N	1	0	362.495	1.709	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CCCO1	ZINC001200807531	974910394	/nfs/dbraw/zinc/91/03/94/974910394.db2.gz	VTHUIJQAVLUWFM-MCIONIFRSA-N	1	0	366.380	1.116	20	30		FDEDRO
CC[C@@H]1C[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CC(=O)N(CC)CCC#N)C1	ZINC001201449071	975065882	/nfs/dbraw/zinc/06/58/82/975065882.db2.gz	YOVCOXNCWCGZAC-BRWVUGGUSA-N	1	0	364.490	1.002	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@]2(O)CCS(=O)(=O)C2)cc1OCCCC#N	ZINC001202428247	975312305	/nfs/dbraw/zinc/31/23/05/975312305.db2.gz	VKHBXPDTAHDCLB-QGZVFWFLSA-N	1	0	368.455	1.017	20	30		FDEDRO
CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H]2CCCN(O)C2=O)CC1	ZINC000866109041	975410335	/nfs/dbraw/zinc/41/03/35/975410335.db2.gz	YZKXKUBSRSIFJO-OAHLLOKOSA-N	1	0	361.446	1.330	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Oc1ccccc1F)C2	ZINC001110590252	975785551	/nfs/dbraw/zinc/78/55/51/975785551.db2.gz	ZTIOHQBNDQOUKT-SRABZTEZSA-N	1	0	373.428	1.064	20	30		FDEDRO
C#C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1	ZINC000847560784	975827516	/nfs/dbraw/zinc/82/75/16/975827516.db2.gz	KLHRVFHOIXXHCT-MRXNPFEDSA-N	1	0	357.454	1.827	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1	ZINC000866667412	975889041	/nfs/dbraw/zinc/88/90/41/975889041.db2.gz	LKCDTDXHOLJUOC-RDGPPVDQSA-N	1	0	357.454	1.991	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000866667413	975889562	/nfs/dbraw/zinc/88/95/62/975889562.db2.gz	LKCDTDXHOLJUOC-VJANTYMQSA-N	1	0	357.454	1.991	20	30		FDEDRO
N#CCOc1cccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1	ZINC000847605643	975900527	/nfs/dbraw/zinc/90/05/27/975900527.db2.gz	FIYSTFLMBJRHTE-IRXDYDNUSA-N	1	0	356.426	1.661	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2cc(F)cc(C#N)c2)CC1	ZINC000866752640	975995131	/nfs/dbraw/zinc/99/51/31/975995131.db2.gz	UZXWUEKMLNRTMY-UHFFFAOYSA-N	1	0	369.462	1.865	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1	ZINC000866774663	976028414	/nfs/dbraw/zinc/02/84/14/976028414.db2.gz	PCXONLOQDOOAJL-JLJPHGGASA-N	1	0	367.446	1.604	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2C3CCC2(C[NH3+])CC3)cc1Br	ZINC000866794443	976059778	/nfs/dbraw/zinc/05/97/78/976059778.db2.gz	NAFVXBDKLKBBHE-UHFFFAOYSA-N	1	0	370.272	1.965	20	30		FDEDRO
C=CC[C@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)c1ccncc1	ZINC000866794291	976060540	/nfs/dbraw/zinc/06/05/40/976060540.db2.gz	JCELOXUPLSJZDO-KRWDZBQOSA-N	1	0	352.504	1.256	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-c3ccn(C)n3)on1)C2	ZINC001110593308	976066122	/nfs/dbraw/zinc/06/61/22/976066122.db2.gz	SODATTRJPPYZJR-UNEWFSDZSA-N	1	0	371.441	1.613	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)OC[C@@H](C)[NH+]2CCCCC2)cc1	ZINC000847959827	976200694	/nfs/dbraw/zinc/20/06/94/976200694.db2.gz	VLAXTUBLDMIXBN-OAHLLOKOSA-N	1	0	364.467	1.629	20	30		FDEDRO
O=C(N[C@@H]1CCCN(O)C1=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F	ZINC000848133073	976359195	/nfs/dbraw/zinc/35/91/95/976359195.db2.gz	RZGCKBHTIBIVNT-HUUCEWRRSA-N	1	0	367.396	1.640	20	30		FDEDRO
C=CCOc1ccc(/C=C/C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1OC	ZINC000848307091	976591381	/nfs/dbraw/zinc/59/13/81/976591381.db2.gz	DILSQPXQHCOGJA-FKQXODTLSA-N	1	0	358.438	1.551	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1	ZINC000848397284	976717764	/nfs/dbraw/zinc/71/77/64/976717764.db2.gz	YRQXLDCHWHOTMK-GDBMZVCRSA-N	1	0	358.442	1.945	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1	ZINC000867811832	976914249	/nfs/dbraw/zinc/91/42/49/976914249.db2.gz	GHCAXDLCKCQFMS-NVXWUHKLSA-N	1	0	363.483	1.317	20	30		FDEDRO
COC(=O)Cc1ccccc1C[NH2+]C[C@H](O)COc1ccc(C#N)cc1	ZINC000848677358	976993574	/nfs/dbraw/zinc/99/35/74/976993574.db2.gz	BYCDPXGFZFTSID-SFHVURJKSA-N	1	0	354.406	1.803	20	30		FDEDRO
CN(C)C(=O)C1(CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CCCC1	ZINC000867927246	977100550	/nfs/dbraw/zinc/10/05/50/977100550.db2.gz	DHQHTZAPMHAICD-KRWDZBQOSA-N	1	0	354.454	1.510	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCCNC(=O)CC1CCCCC1	ZINC000867947717	977128397	/nfs/dbraw/zinc/12/83/97/977128397.db2.gz	UMOYNRAINGBZAM-HXUWFJFHSA-N	1	0	368.481	1.948	20	30		FDEDRO
COCCN(Cc1cccnc1)C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000867978036	977161746	/nfs/dbraw/zinc/16/17/46/977161746.db2.gz	UBARKMUPGDLALK-IBGZPJMESA-N	1	0	350.422	1.815	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCCN1C[C@@H]2CCCCN2C1=O	ZINC000867985684	977171060	/nfs/dbraw/zinc/17/10/60/977171060.db2.gz	LKDAMWFCXUDXLX-WMZOPIPTSA-N	1	0	367.453	1.151	20	30		FDEDRO
C=CCNC(=[NH2+])NCC(=O)Nc1ccc(I)cc1	ZINC000849002677	977288188	/nfs/dbraw/zinc/28/81/88/977288188.db2.gz	YIDRDCXJQPOKLR-UHFFFAOYSA-N	1	0	358.183	1.530	20	30		FDEDRO
C[NH+]=C(NCc1ccco1)NC[C@H](c1cccs1)N1CCN(C)CC1	ZINC000849044727	977292612	/nfs/dbraw/zinc/29/26/12/977292612.db2.gz	DLSAXDHLCDSSTR-MRXNPFEDSA-N	1	0	361.515	1.995	20	30		FDEDRO
CC(C)NS(=O)(=O)NCC[NH+]=C(Nc1ccccc1)N1CCCCC1	ZINC000849104461	977316705	/nfs/dbraw/zinc/31/67/05/977316705.db2.gz	QDZAEKJJVFWURW-UHFFFAOYSA-N	1	0	367.519	1.773	20	30		FDEDRO
C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1	ZINC000868509984	977725624	/nfs/dbraw/zinc/72/56/24/977725624.db2.gz	IGRFSSQCESODLP-HNAYVOBHSA-N	1	0	355.486	1.351	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)cc1	ZINC000849599738	977821137	/nfs/dbraw/zinc/82/11/37/977821137.db2.gz	OLXCXMSLNPAPAT-PMACEKPBSA-N	1	0	366.465	1.784	20	30		FDEDRO
C=CCOCCC[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl	ZINC000850377894	978347807	/nfs/dbraw/zinc/34/78/07/978347807.db2.gz	MYKPYEHATXRDBS-ZDUSSCGKSA-N	1	0	361.895	1.887	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@](C)(C#N)C3)cc2)CC1	ZINC000850701070	978627341	/nfs/dbraw/zinc/62/73/41/978627341.db2.gz	DKIXABRCBRNWJK-HXUWFJFHSA-N	1	0	369.469	1.529	20	30		FDEDRO
C#CCCN(CCOC)C(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1	ZINC000850712714	978639735	/nfs/dbraw/zinc/63/97/35/978639735.db2.gz	PVACRWUOIDYLJS-UHFFFAOYSA-N	1	0	351.491	1.065	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1	ZINC000968001171	1014538761	/nfs/dbraw/zinc/53/87/61/1014538761.db2.gz	OSQCKSDHJRCYPV-AYBZRNKSSA-N	1	0	363.502	1.369	20	30		FDEDRO
N#Cc1sccc1N1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1	ZINC000851668745	978990706	/nfs/dbraw/zinc/99/07/06/978990706.db2.gz	UNGYDZWLRWVPSP-CYBMUJFWSA-N	1	0	355.414	1.449	20	30		FDEDRO
C#CCN(CC#CC)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)c(F)c1	ZINC000851674850	978992855	/nfs/dbraw/zinc/99/28/55/978992855.db2.gz	KEGWAAPWGUPPHM-WMZOPIPTSA-N	1	0	357.429	1.948	20	30		FDEDRO
C#C[C@@H](NC(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1)c1ccc(F)cc1	ZINC000851678504	978993800	/nfs/dbraw/zinc/99/38/00/978993800.db2.gz	AKKNDQMUBZDJMP-GOSISDBHSA-N	1	0	374.460	1.790	20	30		FDEDRO
C#CCOCC[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1	ZINC000851836072	979088876	/nfs/dbraw/zinc/08/88/76/979088876.db2.gz	GFEGLKUNWDGBBO-QGZVFWFLSA-N	1	0	350.484	1.635	20	30		FDEDRO
CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCN(c2cccc(C#N)n2)CC1	ZINC000851936910	979201595	/nfs/dbraw/zinc/20/15/95/979201595.db2.gz	CCURHXPTQUQIRD-MRXNPFEDSA-N	1	0	368.374	1.660	20	30		FDEDRO
C#CCC1(O)CC[NH+]([C@H](C)C(=O)N2CCC[C@@H](C(=O)OCC)C2)CC1	ZINC000880479824	979220905	/nfs/dbraw/zinc/22/09/05/979220905.db2.gz	ZFNBCDMZQHRALD-HZPDHXFCSA-N	1	0	350.459	1.027	20	30		FDEDRO
C#CCC1(O)CC[NH+]([C@@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1	ZINC000880481849	979221886	/nfs/dbraw/zinc/22/18/86/979221886.db2.gz	QJYJHGODCWKMRF-KRWDZBQOSA-N	1	0	373.472	1.713	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1CN(C(=O)C2CC[NH+](C)CC2)C1	ZINC000968010723	1014563860	/nfs/dbraw/zinc/56/38/60/1014563860.db2.gz	RUGQBIZETFPUCY-MSOLQXFVSA-N	1	0	363.502	1.369	20	30		FDEDRO
C#C[C@@](C)(CC)[NH2+]CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1	ZINC000852098458	979349880	/nfs/dbraw/zinc/34/98/80/979349880.db2.gz	OBQYXDMDFQAHCF-AEFFLSMTSA-N	1	0	354.516	1.726	20	30		FDEDRO
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCN([C@@H]3CCOC3)CC2)c1	ZINC000852107841	979354427	/nfs/dbraw/zinc/35/44/27/979354427.db2.gz	XWDSFZAPLOCDGQ-QZTJIDSGSA-N	1	0	372.469	1.984	20	30		FDEDRO
C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1cc(C#N)c(F)cc1F	ZINC000880713533	979405187	/nfs/dbraw/zinc/40/51/87/979405187.db2.gz	PJYPYGHQKZLCRF-LBPRGKRZSA-N	1	0	351.401	1.984	20	30		FDEDRO
O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)N[C@H]1CCCN(O)C1=O	ZINC000881129756	979702437	/nfs/dbraw/zinc/70/24/37/979702437.db2.gz	HJKMIWSHUMUCLM-SJORKVTESA-N	1	0	373.457	1.473	20	30		FDEDRO
N#CCc1cccc(NC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)n1	ZINC000881141690	979715868	/nfs/dbraw/zinc/71/58/68/979715868.db2.gz	KNNHCPLRFWPELS-QGZVFWFLSA-N	1	0	372.473	1.066	20	30		FDEDRO
C[NH+](C)CC(=O)N1CCN(c2nccc(Oc3cccc(C#N)c3)n2)CC1	ZINC000881793227	980148729	/nfs/dbraw/zinc/14/87/29/980148729.db2.gz	FFCVYDWWGFFUPR-UHFFFAOYSA-N	1	0	366.425	1.351	20	30		FDEDRO
C=CCCc1ccc(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)cc1	ZINC000881913716	980288135	/nfs/dbraw/zinc/28/81/35/980288135.db2.gz	SPQWLPOIYWMDGI-UHFFFAOYSA-N	1	0	352.500	1.930	20	30		FDEDRO
CCC1([NH+]2CCCCC2)CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1	ZINC000882618312	980759138	/nfs/dbraw/zinc/75/91/38/980759138.db2.gz	OQRRHVLAHXLUPA-MRXNPFEDSA-N	1	0	370.519	1.186	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNS(=O)(=O)CC3(CC#N)CC3)cc2)CC1	ZINC000882663546	980803663	/nfs/dbraw/zinc/80/36/63/980803663.db2.gz	ZUZSOHUNGHWRNE-UHFFFAOYSA-N	1	0	362.499	1.552	20	30		FDEDRO
C#CC1(NC(=O)NCc2ccc(N3CC[NH+](CC)CC3)nc2)CCCC1	ZINC000883111754	981954415	/nfs/dbraw/zinc/95/44/15/981954415.db2.gz	PAGGGFJFPCWBDT-UHFFFAOYSA-N	1	0	355.486	1.969	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C	ZINC000858492581	982078646	/nfs/dbraw/zinc/07/86/46/982078646.db2.gz	AOAXEAUIZZXPIO-CABCVRRESA-N	1	0	352.479	1.639	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+][C@@H]3CCCN(CCN4CCOCC4)C3)n2c1	ZINC000883372368	982102065	/nfs/dbraw/zinc/10/20/65/982102065.db2.gz	YJJRKOPRSAGRGZ-GOSISDBHSA-N	1	0	368.485	1.092	20	30		FDEDRO
COC(=O)[C@@H]1CC[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)O1	ZINC000858566621	982118256	/nfs/dbraw/zinc/11/82/56/982118256.db2.gz	BGQBZEKFOHIVEL-SJORKVTESA-N	1	0	359.426	1.169	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(C(N)=O)nc1	ZINC000858567160	982119766	/nfs/dbraw/zinc/11/97/66/982119766.db2.gz	UZJIGSXLWZHPEY-UHFFFAOYSA-N	1	0	365.437	1.185	20	30		FDEDRO
C=C(C)COCCNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1	ZINC000883516946	982235262	/nfs/dbraw/zinc/23/52/62/982235262.db2.gz	LDOYWPRXZNNEPH-UHFFFAOYSA-N	1	0	352.479	1.095	20	30		FDEDRO
CC[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N	ZINC000883614179	982310776	/nfs/dbraw/zinc/31/07/76/982310776.db2.gz	AWCCUOZRFLSONG-MGPQQGTHSA-N	1	0	351.451	1.139	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC([NH2+]C2CCOCC2)CC1	ZINC000883670726	982366598	/nfs/dbraw/zinc/36/65/98/982366598.db2.gz	RBSPJLJBDSVWCJ-QAPCUYQASA-N	1	0	351.491	1.910	20	30		FDEDRO
C#CC1(F)CN(C(=O)NC2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)C1	ZINC000883726673	982418982	/nfs/dbraw/zinc/41/89/82/982418982.db2.gz	CCPLBCBSHURFKL-UHFFFAOYSA-N	1	0	372.444	1.976	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]C[C@H](O)CC(F)(F)F)CC1	ZINC001202559833	982557670	/nfs/dbraw/zinc/55/76/70/982557670.db2.gz	PXBZPYSCISWXSS-MCIONIFRSA-N	1	0	350.381	1.471	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN(C)CC(=O)NC(C)C)C2	ZINC001110767196	982559719	/nfs/dbraw/zinc/55/97/19/982559719.db2.gz	GGIHIAMSRRVWHY-ZACQAIPSSA-N	1	0	350.507	1.131	20	30		FDEDRO
CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000859158614	982584254	/nfs/dbraw/zinc/58/42/54/982584254.db2.gz	FTZYFGPKEOTLHQ-HOTGVXAUSA-N	1	0	367.490	1.999	20	30		FDEDRO
CN(CC[N@H+](C)C[C@@H](O)CC1(C#N)CCOCC1)C(=O)OC(C)(C)C	ZINC000859222769	982628315	/nfs/dbraw/zinc/62/83/15/982628315.db2.gz	SNYKEOKRGJQILY-HNNXBMFYSA-N	1	0	355.479	1.856	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1	ZINC000859250883	982646475	/nfs/dbraw/zinc/64/64/75/982646475.db2.gz	QFJLUTKQIGKAEP-CABCVRRESA-N	1	0	353.463	1.435	20	30		FDEDRO
COC(=O)N1CCC[C@H]([C@H](C)[NH2+]C[C@H](O)COc2ccccc2C#N)C1	ZINC000859258918	982653469	/nfs/dbraw/zinc/65/34/69/982653469.db2.gz	XHLBQAWACUSIRC-XIRDDKMYSA-N	1	0	361.442	1.754	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1	ZINC000800139400	982762844	/nfs/dbraw/zinc/76/28/44/982762844.db2.gz	ITQCMAZLZNOZEG-SFHVURJKSA-N	1	0	364.515	1.969	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NCc2cccc(C(=O)NCCC)c2)C1	ZINC000884076564	982827636	/nfs/dbraw/zinc/82/76/36/982827636.db2.gz	HXQHXAHSNFUMAP-GOSISDBHSA-N	1	0	356.470	1.723	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@](O)(c1ccccc1)C(F)(F)F)C2	ZINC000884119920	982901523	/nfs/dbraw/zinc/90/15/23/982901523.db2.gz	ACXDYTUUNZXEFG-PEXURAOCSA-N	1	0	367.371	1.692	20	30		FDEDRO
COC(=O)CC[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccccc1	ZINC000884128557	982910203	/nfs/dbraw/zinc/91/02/03/982910203.db2.gz	HCBSCVLMTDRGMF-ZEVUXNIQSA-N	1	0	355.438	1.936	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCCNC(=O)c1cccc(F)c1)C2	ZINC000884134382	982917227	/nfs/dbraw/zinc/91/72/27/982917227.db2.gz	FTTZBQARPRCVCK-XAUUPUKJSA-N	1	0	358.417	1.201	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCN(Cc3cccc(F)c3)C(=O)C1)C2	ZINC000884154881	982932823	/nfs/dbraw/zinc/93/28/23/982932823.db2.gz	QEPICOGYCSJGAH-NGEICVOHSA-N	1	0	370.428	1.136	20	30		FDEDRO
COC(=O)[C@H](C)[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccccc1	ZINC000884170345	982944542	/nfs/dbraw/zinc/94/45/42/982944542.db2.gz	VMKKVIYMSHBZSB-HFTYQTBFSA-N	1	0	355.438	1.792	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccnc(OCC(F)(F)F)c1)C2	ZINC000884187235	982963317	/nfs/dbraw/zinc/96/33/17/982963317.db2.gz	YIZWYHNQHKHYDZ-UYJPIKCFSA-N	1	0	368.359	1.778	20	30		FDEDRO
N#CCc1cccc(NC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1	ZINC000859695640	982978341	/nfs/dbraw/zinc/97/83/41/982978341.db2.gz	YLUVAWAYGZBPAM-SJORKVTESA-N	1	0	369.425	1.542	20	30		FDEDRO
COc1ccccc1N1CCC(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1	ZINC000884204127	982979404	/nfs/dbraw/zinc/97/94/04/982979404.db2.gz	OENASGSOXWWSRP-ZGOJQLDESA-N	1	0	368.481	1.920	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1cc(F)cc(N3CCOCC3)c1)C2	ZINC000884208604	982984634	/nfs/dbraw/zinc/98/46/34/982984634.db2.gz	GCRAKSTWLREOCJ-BIWSTMPVSA-N	1	0	358.417	1.740	20	30		FDEDRO
CC[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1nnc2n1CCCCC2	ZINC000884208459	982984690	/nfs/dbraw/zinc/98/46/90/982984690.db2.gz	APECJKAMLLOTHO-QXGUJMOYSA-N	1	0	356.474	1.711	20	30		FDEDRO
COc1cccc(N2CCC[C@@H](NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)C2)c1	ZINC000884219400	982993769	/nfs/dbraw/zinc/99/37/69/982993769.db2.gz	OOFYIJIATSDINM-CXIVCQEWSA-N	1	0	368.481	1.920	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NCc2ccc(S(=O)(=O)CC)cc2)C1	ZINC000884259503	983033764	/nfs/dbraw/zinc/03/37/64/983033764.db2.gz	SGGKTDARFMQEMY-INIZCTEOSA-N	1	0	363.483	1.377	20	30		FDEDRO
N#Cc1c2ccccc2[nH]c1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000884280830	983052047	/nfs/dbraw/zinc/05/20/47/983052047.db2.gz	VCEDHVSJKYNELK-CQSZACIVSA-N	1	0	365.359	1.605	20	30		FDEDRO
N#Cc1ccc(C2([NH2+][C@H]3CCN(C4CCOCC4)C3=O)CCOCC2)cc1	ZINC000859882363	983060219	/nfs/dbraw/zinc/06/02/19/983060219.db2.gz	RGNVFWCFHAGNJR-IBGZPJMESA-N	1	0	369.465	1.933	20	30		FDEDRO
CC1(C#N)CCN(C(=O)C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)CC1	ZINC000332536918	983071761	/nfs/dbraw/zinc/07/17/61/983071761.db2.gz	JKYMOFNOWBUZJE-SJORKVTESA-N	1	0	372.444	1.621	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCN(Cc3ccc(F)cc3)C1=O)C2	ZINC000884322443	983084591	/nfs/dbraw/zinc/08/45/91/983084591.db2.gz	MYKJWDLFWLXIEL-WAGVIYRNSA-N	1	0	370.428	1.182	20	30		FDEDRO
CC(C)(C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)c1ccc(C#N)cc1	ZINC000860551458	983441317	/nfs/dbraw/zinc/44/13/17/983441317.db2.gz	BUGROKUTNFQQBG-UHFFFAOYSA-N	1	0	371.481	1.522	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccc(C)cc1)C2	ZINC001110788953	983542079	/nfs/dbraw/zinc/54/20/79/983542079.db2.gz	DMGGBNMXZZVJLL-AFYVEPGGSA-N	1	0	367.493	1.787	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])cc1	ZINC000653234852	1014968787	/nfs/dbraw/zinc/96/87/87/1014968787.db2.gz	RWRYGCWWJAEVLF-RHSMWYFYSA-N	1	0	365.499	1.740	20	30		FDEDRO
N#Cc1cccnc1NCCNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1	ZINC000861565428	983780447	/nfs/dbraw/zinc/78/04/47/983780447.db2.gz	UEXYQTQSVQITDK-CHWSQXEVSA-N	1	0	370.379	1.534	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1	ZINC000862032053	984066029	/nfs/dbraw/zinc/06/60/29/984066029.db2.gz	NAGZSGUAAGJURW-ZDUSSCGKSA-N	1	0	362.405	1.515	20	30		FDEDRO
CC(C)(C)OC(=O)N1[C@H](C[NH2+]C2CCN(CC#N)CC2)COC1(C)C	ZINC000862278137	984300645	/nfs/dbraw/zinc/30/06/45/984300645.db2.gz	UVZZNRNIMOYRGE-OAHLLOKOSA-N	1	0	352.479	1.936	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@@H](NC(=O)NC1CC[NH+]([C@@H]3CCOC3)CC1)C2	ZINC000868782828	984601010	/nfs/dbraw/zinc/60/10/10/984601010.db2.gz	FUVMZCFLSRBBEL-RBUKOAKNSA-N	1	0	354.454	1.578	20	30		FDEDRO
CN(CCc1cccc(C#N)c1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000868783193	984601020	/nfs/dbraw/zinc/60/10/20/984601020.db2.gz	JBPMSDKJVNALQR-LJQANCHMSA-N	1	0	356.470	1.995	20	30		FDEDRO
CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc(CCC#N)cc1	ZINC000885018157	985086766	/nfs/dbraw/zinc/08/67/66/985086766.db2.gz	JXGGARSQHHDNQQ-UHFFFAOYSA-N	1	0	364.515	1.401	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1	ZINC000885097211	985173660	/nfs/dbraw/zinc/17/36/60/985173660.db2.gz	ULZOADMNFSBEET-BBWFWOEESA-N	1	0	365.518	1.840	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2	ZINC000885137879	985198119	/nfs/dbraw/zinc/19/81/19/985198119.db2.gz	KOALZIMCFGCGIE-BRWVUGGUSA-N	1	0	363.502	1.512	20	30		FDEDRO
CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H]3CS(=O)(=O)C[C@]3(C#N)C2)o1	ZINC000885318470	985333666	/nfs/dbraw/zinc/33/36/66/985333666.db2.gz	OTVZNBMQIUPKIA-DYVFJYSZSA-N	1	0	365.455	1.132	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)cc21	ZINC000885573542	985479611	/nfs/dbraw/zinc/47/96/11/985479611.db2.gz	JFTHQEASPROYAZ-HNNXBMFYSA-N	1	0	355.442	1.571	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C	ZINC000885848385	985696543	/nfs/dbraw/zinc/69/65/43/985696543.db2.gz	SVDIPAUIOIWQEV-CABCVRRESA-N	1	0	351.476	1.318	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1	ZINC000885860733	985709307	/nfs/dbraw/zinc/70/93/07/985709307.db2.gz	MAPNAKGJBHWDDY-SFHVURJKSA-N	1	0	373.501	1.716	20	30		FDEDRO
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1	ZINC000885880601	985744456	/nfs/dbraw/zinc/74/44/56/985744456.db2.gz	VAZJAYGGHALUQG-KXBFYZLASA-N	1	0	365.474	1.618	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCOC4(CCOCC4)C3)C2=O)cc1	ZINC000886089707	985870034	/nfs/dbraw/zinc/87/00/34/985870034.db2.gz	IAQXMIVVFQVFEU-MOPGFXCFSA-N	1	0	369.465	1.977	20	30		FDEDRO
C#CCN1CCC[C@@H]([NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1	ZINC000886211109	985975828	/nfs/dbraw/zinc/97/58/28/985975828.db2.gz	JFZSGVOXZLCVHP-OAHLLOKOSA-N	1	0	361.398	1.334	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@H+](CCN2CCOCC2)[C@H]2CCSC2)CCC1	ZINC000886274187	986017688	/nfs/dbraw/zinc/01/76/88/986017688.db2.gz	NYXBSWOYEKQHJO-DLBZAZTESA-N	1	0	353.532	1.571	20	30		FDEDRO
C#CC[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)C1	ZINC000886355429	986095303	/nfs/dbraw/zinc/09/53/03/986095303.db2.gz	IMEKXAXWOXQCKF-SFHVURJKSA-N	1	0	353.466	1.884	20	30		FDEDRO
C#CCN(C(=O)Cc1c(Br)cnn1C)C1CC[NH+](C)CC1	ZINC000886572362	986372155	/nfs/dbraw/zinc/37/21/55/986372155.db2.gz	JDJMBSGADPEBMP-UHFFFAOYSA-N	1	0	353.264	1.281	20	30		FDEDRO
C#CCN(C(=O)Cc1nnn(-c2ccc(C)cc2)c1C)C1CC[NH+](C)CC1	ZINC000886583561	986387934	/nfs/dbraw/zinc/38/79/34/986387934.db2.gz	VRNBWGJXNAONMG-UHFFFAOYSA-N	1	0	365.481	1.983	20	30		FDEDRO
C#CCN(C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)C1CC[NH+](C)CC1	ZINC000886587015	986391874	/nfs/dbraw/zinc/39/18/74/986391874.db2.gz	CMAMKLCILOGHMT-UHFFFAOYSA-N	1	0	354.454	1.764	20	30		FDEDRO
C#CCN(C(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)OC)C1CC[NH+](C)CC1	ZINC000886587441	986393381	/nfs/dbraw/zinc/39/33/81/986393381.db2.gz	WMSUQJSRRNKYKV-UHFFFAOYSA-N	1	0	373.453	1.411	20	30		FDEDRO
CCO[C@H]1C[C@]([NH3+])(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C1(C)C	ZINC000870981909	986558716	/nfs/dbraw/zinc/55/87/16/986558716.db2.gz	STJJRDOVSUYBOI-PXNSSMCTSA-N	1	0	374.460	1.878	20	30		FDEDRO
CCCCCCCCOCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1	ZINC000870998913	986574203	/nfs/dbraw/zinc/57/42/03/986574203.db2.gz	IBQUFCSPMHCTHY-ZACQAIPSSA-N	1	0	367.490	1.757	20	30		FDEDRO
C=CCC1(O)CC[NH+]([C@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)CC1	ZINC000886772117	986576004	/nfs/dbraw/zinc/57/60/04/986576004.db2.gz	SRCOMPCQSDCMQI-OAHLLOKOSA-N	1	0	360.454	1.881	20	30		FDEDRO
C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000871050864	986617608	/nfs/dbraw/zinc/61/76/08/986617608.db2.gz	LIJUDXJJRCJUFB-SJLPKXTDSA-N	1	0	374.533	1.920	20	30		FDEDRO
C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2[C@H](CC[N@H+]2C)C1	ZINC000871089018	986661957	/nfs/dbraw/zinc/66/19/57/986661957.db2.gz	KJIVLVFQAGSVOS-HZPDHXFCSA-N	1	0	358.490	1.621	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000871098465	986667237	/nfs/dbraw/zinc/66/72/37/986667237.db2.gz	CMJGWMCJKYELNJ-QGZVFWFLSA-N	1	0	374.533	1.574	20	30		FDEDRO
C[N@@H+]1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CCC1(C)C	ZINC000871152778	986721524	/nfs/dbraw/zinc/72/15/24/986721524.db2.gz	RZYNSECCIKZWBY-UHFFFAOYSA-N	1	0	352.442	1.882	20	30		FDEDRO
Cn1c(N2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)c(C#N)c(=O)n(C)c1=O	ZINC000871666284	987186047	/nfs/dbraw/zinc/18/60/47/987186047.db2.gz	BHWPRDMPTJUIFW-BBRMVZONSA-N	1	0	359.474	1.080	20	30		FDEDRO
N#Cc1ccc(OCCn2cnc3c(cnn3C3CC[NH2+]CC3)c2=O)cc1	ZINC000871677653	987191849	/nfs/dbraw/zinc/19/18/49/987191849.db2.gz	CJYZFXJTKDRAOM-UHFFFAOYSA-N	1	0	364.409	1.468	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1	ZINC000871804482	987249221	/nfs/dbraw/zinc/24/92/21/987249221.db2.gz	BRZRKUPSMSRWHQ-ZACQAIPSSA-N	1	0	363.483	1.916	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N(C)CCCCCC[NH3+])c1	ZINC000871821143	987276408	/nfs/dbraw/zinc/27/64/08/987276408.db2.gz	DWGMWDNVVAAUEB-UHFFFAOYSA-N	1	0	353.488	1.742	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1	ZINC000872186940	987487754	/nfs/dbraw/zinc/48/77/54/987487754.db2.gz	BEKISUGQSBYBGM-HUUCEWRRSA-N	1	0	369.387	1.797	20	30		FDEDRO
C=CCc1cc(C[NH2+]C[C@@H](O)CC2(O)CCOCC2)cc(OC)c1OC	ZINC000872200060	987510974	/nfs/dbraw/zinc/51/09/74/987510974.db2.gz	VQNGTIXGHPYCMF-KRWDZBQOSA-N	1	0	365.470	1.814	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1	ZINC000872205979	987514731	/nfs/dbraw/zinc/51/47/31/987514731.db2.gz	NINFWWOSYGSSDQ-ZDUSSCGKSA-N	1	0	368.282	1.924	20	30		FDEDRO
C(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1ccc(OCCN2CCOCC2)cc1	ZINC000872359562	987619141	/nfs/dbraw/zinc/61/91/41/987619141.db2.gz	IYLMFFBDDMEECQ-RTBURBONSA-N	1	0	371.485	1.592	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N1CCC(C)([NH+]2CCCCC2)CC1	ZINC000872529309	987758524	/nfs/dbraw/zinc/75/85/24/987758524.db2.gz	GHSAAEGJDCUKNZ-UHFFFAOYSA-N	1	0	372.535	1.434	20	30		FDEDRO
C[N@H+](CCCNC(=O)C(=O)Nc1ccc(C#N)cn1)Cc1ccccc1	ZINC000292989334	987949339	/nfs/dbraw/zinc/94/93/39/987949339.db2.gz	IKUPGWSGBZXTPT-UHFFFAOYSA-N	1	0	351.410	1.530	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)C[C@@H](O)Cc2ccccc2)CC1	ZINC000293161806	987980371	/nfs/dbraw/zinc/98/03/71/987980371.db2.gz	CJFPLZVYYZJQLC-VQTJNVASSA-N	1	0	372.513	1.214	20	30		FDEDRO
N#Cc1ccccc1CN1C(=O)CN(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)C1=O	ZINC000872723090	988008474	/nfs/dbraw/zinc/00/84/74/988008474.db2.gz	XYFFGTPCYAJMLY-DLBZAZTESA-N	1	0	370.478	1.965	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CC[N@@H+](C2CCC2)C1	ZINC000293271399	988011895	/nfs/dbraw/zinc/01/18/95/988011895.db2.gz	BBEZGZQGCPFUFC-OAHLLOKOSA-N	1	0	370.453	1.860	20	30		FDEDRO
CC(C)[C@H]1CN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC[N@@H+]1C	ZINC000872736010	988021130	/nfs/dbraw/zinc/02/11/30/988021130.db2.gz	JVYBCMLJWKATKL-GOSISDBHSA-N	1	0	369.469	1.552	20	30		FDEDRO
COc1cc(CN2CCN(c3ccc(C#N)cn3)CC2)cc(OC)c1O	ZINC000299026299	988054094	/nfs/dbraw/zinc/05/40/94/988054094.db2.gz	GXERUYKOUBTDEU-UHFFFAOYSA-N	1	0	354.410	1.998	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)C1	ZINC000360962895	988228899	/nfs/dbraw/zinc/22/88/99/988228899.db2.gz	RZDFVPKRYSHJED-PMACEKPBSA-N	1	0	367.497	1.375	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1	ZINC000872937417	988309341	/nfs/dbraw/zinc/30/93/41/988309341.db2.gz	FWELPFQMJBCQCI-QGZVFWFLSA-N	1	0	370.501	1.763	20	30		FDEDRO
COc1ccc(C[N@@H+]2CCCN(C(=O)CN(C)[C@@H](C)CC#N)CC2)cc1	ZINC000366094939	988397052	/nfs/dbraw/zinc/39/70/52/988397052.db2.gz	KYGGZALITVJPIO-KRWDZBQOSA-N	1	0	358.486	1.963	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(Cl)c1	ZINC000873108084	988571804	/nfs/dbraw/zinc/57/18/04/988571804.db2.gz	TZUJLZVGSMLYHC-UWVGGRQHSA-N	1	0	374.750	1.746	20	30		FDEDRO
C#CCC[NH+]1CCN(Cc2nc(N)nc(Nc3ccccc3OC)n2)CC1	ZINC000299720707	988703735	/nfs/dbraw/zinc/70/37/35/988703735.db2.gz	SESYDMSCOSUQBU-UHFFFAOYSA-N	1	0	367.457	1.347	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1	ZINC000362876447	988758852	/nfs/dbraw/zinc/75/88/52/988758852.db2.gz	CCPYJJFEZBIANF-SFHVURJKSA-N	1	0	373.501	1.563	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1	ZINC000363091993	988914560	/nfs/dbraw/zinc/91/45/60/988914560.db2.gz	MVAYYKNUZCQDPC-CYBMUJFWSA-N	1	0	357.410	1.204	20	30		FDEDRO
C=CCN(C(=O)CN(C)C(=O)COC)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000363162355	988965196	/nfs/dbraw/zinc/96/51/96/988965196.db2.gz	JCIYXURUKCBPGG-SFHVURJKSA-N	1	0	359.470	1.380	20	30		FDEDRO
N#CCNC(=O)CNC(=O)[C@@H]1CC[N@H+](C[C@H]2CCCc3ccccc32)C1	ZINC000367733540	988965245	/nfs/dbraw/zinc/96/52/45/988965245.db2.gz	IRVSIJYUYIPTKM-IAGOWNOFSA-N	1	0	354.454	1.184	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1C#N	ZINC000873681046	988982509	/nfs/dbraw/zinc/98/25/09/988982509.db2.gz	SDCFHTSLCDDQSP-UHFFFAOYSA-N	1	0	370.453	1.840	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1	ZINC000368184674	988982701	/nfs/dbraw/zinc/98/27/01/988982701.db2.gz	LAMHNPFLAIQIHB-ZSHCYNCHSA-N	1	0	364.490	1.801	20	30		FDEDRO
C=CCNC(=O)CNC(=O)[C@@H]1CC[N@H+](C[C@@H]2CCCc3ccccc32)C1	ZINC000368826413	989010597	/nfs/dbraw/zinc/01/05/97/989010597.db2.gz	QXMIYSVSEZRFHQ-ZWKOTPCHSA-N	1	0	355.482	1.847	20	30		FDEDRO
CC[C@H](C#N)NC(=O)c1nnn(-c2cccc3c2CC[N@H+](CC)C3)c1C	ZINC000369118033	989026994	/nfs/dbraw/zinc/02/69/94/989026994.db2.gz	RCDISBMWFGEFEN-OAHLLOKOSA-N	1	0	352.442	1.986	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCc1cccc(CN2CCOCC2)c1	ZINC000296196292	989030520	/nfs/dbraw/zinc/03/05/20/989030520.db2.gz	DEIJCNZOCMAHQS-UHFFFAOYSA-N	1	0	358.486	1.273	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1C#N	ZINC000873725851	989069469	/nfs/dbraw/zinc/06/94/69/989069469.db2.gz	SVTXJDTVDQTLCB-QGZVFWFLSA-N	1	0	370.453	1.982	20	30		FDEDRO
Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000873726786	989071787	/nfs/dbraw/zinc/07/17/87/989071787.db2.gz	FKRCCSNVUMHLBQ-AWEZNQCLSA-N	1	0	358.417	1.889	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1C#N	ZINC000873737467	989092138	/nfs/dbraw/zinc/09/21/38/989092138.db2.gz	DBIBHRPJXVOHAY-MQVJKMGUSA-N	1	0	356.426	1.637	20	30		FDEDRO
COc1ccccc1CNC(=O)[C@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000369730039	989127766	/nfs/dbraw/zinc/12/77/66/989127766.db2.gz	OEGFXNQGGDYQFF-AWEZNQCLSA-N	1	0	368.441	1.500	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCCN2C(=O)[C@H]2CCCO2)CC1	ZINC000369757371	989148580	/nfs/dbraw/zinc/14/85/80/989148580.db2.gz	LQGQLABREBYLAF-QZTJIDSGSA-N	1	0	361.486	1.150	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1C#N	ZINC000873773572	989156426	/nfs/dbraw/zinc/15/64/26/989156426.db2.gz	RVDHSZPQWYCTMZ-BBRMVZONSA-N	1	0	356.426	1.448	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H]2CCCN(Cc3noc(C)n3)C2)CC1	ZINC000363400456	989165364	/nfs/dbraw/zinc/16/53/64/989165364.db2.gz	KYIXZKDGGZDLMH-INIZCTEOSA-N	1	0	362.478	1.292	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(C[C@@H](O)COc3ccc(C#N)cc3)CC2)C1	ZINC000363416049	989179446	/nfs/dbraw/zinc/17/94/46/989179446.db2.gz	AVCAKMRAGRNSCX-RTBURBONSA-N	1	0	358.486	1.010	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)nc1	ZINC000363462054	989219139	/nfs/dbraw/zinc/21/91/39/989219139.db2.gz	GLOJWXRINROFJN-QZTJIDSGSA-N	1	0	368.485	1.848	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1	ZINC000296494375	989242111	/nfs/dbraw/zinc/24/21/11/989242111.db2.gz	BCFZCFNUJDJWJX-MRXNPFEDSA-N	1	0	354.458	1.925	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(OC)c(C#N)c2)[C@H](C)C1	ZINC000873831449	989274738	/nfs/dbraw/zinc/27/47/38/989274738.db2.gz	UVRVYGZGCBUNTF-CJNGLKHVSA-N	1	0	358.442	1.694	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)C(=O)Nc1cccc(C#N)c1	ZINC000363539594	989279144	/nfs/dbraw/zinc/27/91/44/989279144.db2.gz	MQGGOASMQWPLLO-JLSDUUJJSA-N	1	0	370.453	1.502	20	30		FDEDRO
CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000369895958	989282894	/nfs/dbraw/zinc/28/28/94/989282894.db2.gz	BAUPNGGQRBUTAY-XCLFUZPHSA-N	1	0	361.405	1.633	20	30		FDEDRO
Cc1cccnc1NC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C1	ZINC000369905116	989289640	/nfs/dbraw/zinc/28/96/40/989289640.db2.gz	VTKHISNGMTUBDH-HZPDHXFCSA-N	1	0	357.458	1.801	20	30		FDEDRO
Cn1cc(C[C@@H]2CC[N@@H+]([C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C2)cn1	ZINC000363586040	989325416	/nfs/dbraw/zinc/32/54/16/989325416.db2.gz	KSOWRVIVNVNJCY-MAUKXSAKSA-N	1	0	363.421	1.488	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCC(=O)NCc1ccc(C#N)cc1	ZINC000363713221	989403435	/nfs/dbraw/zinc/40/34/35/989403435.db2.gz	MHFWIEJPSRVXKJ-UXPWSPDFSA-N	1	0	370.497	1.653	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1	ZINC000363903424	989457805	/nfs/dbraw/zinc/45/78/05/989457805.db2.gz	IRHWTFYWWXWTFN-SJORKVTESA-N	1	0	354.458	1.412	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)c1ccc(N2CCCNC2=O)cc1	ZINC000297162213	989486666	/nfs/dbraw/zinc/48/66/66/989486666.db2.gz	RPTLIPXXAIWGRM-MRXNPFEDSA-N	1	0	371.485	1.922	20	30		FDEDRO
C[C@H](C#N)CN(C)C(=O)C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1	ZINC000297623178	989581725	/nfs/dbraw/zinc/58/17/25/989581725.db2.gz	INUQXBVXESQWET-MRXNPFEDSA-N	1	0	356.470	1.727	20	30		FDEDRO
CN(C[C@H]1CC[N@H+](C)C1)C(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000364520112	989617075	/nfs/dbraw/zinc/61/70/75/989617075.db2.gz	VIIXQDCRDQEEGF-ROUUACIJSA-N	1	0	354.454	1.459	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000297706086	989648174	/nfs/dbraw/zinc/64/81/74/989648174.db2.gz	IRDXLODBMMBBTO-KRWDZBQOSA-N	1	0	359.470	1.781	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CCS1	ZINC000297713918	989653770	/nfs/dbraw/zinc/65/37/70/989653770.db2.gz	FYMIZYWMOOPQAB-OAHLLOKOSA-N	1	0	374.510	1.412	20	30		FDEDRO
C#CCO[C@@H](C)c1nc(-c2ccccc2CN2CCC[C@@H]2C(N)=O)no1	ZINC000297798281	989699473	/nfs/dbraw/zinc/69/94/73/989699473.db2.gz	QFSZQSQUKWCBBB-XJKSGUPXSA-N	1	0	354.410	1.897	20	30		FDEDRO
C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1	ZINC000370517358	989802793	/nfs/dbraw/zinc/80/27/93/989802793.db2.gz	IZBFPPNFKLOHLK-ZDUSSCGKSA-N	1	0	359.430	1.254	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)n1	ZINC000874157494	989821992	/nfs/dbraw/zinc/82/19/92/989821992.db2.gz	YBQFNEBFWSWVQQ-INIZCTEOSA-N	1	0	355.442	1.805	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1	ZINC000874169427	989855498	/nfs/dbraw/zinc/85/54/98/989855498.db2.gz	DWOCQPHDXJBNSU-NVXWUHKLSA-N	1	0	370.453	1.094	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N(CCC)CC[NH+](C)C)s1	ZINC000874381886	990229108	/nfs/dbraw/zinc/22/91/08/990229108.db2.gz	BDSOQFLATZPVHF-UHFFFAOYSA-N	1	0	373.544	1.555	20	30		FDEDRO
N#CCOc1cccc(CC(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)c1	ZINC000371218386	990310271	/nfs/dbraw/zinc/31/02/71/990310271.db2.gz	GGQDLDXDNQSZMC-HKUYNNGSSA-N	1	0	357.454	1.749	20	30		FDEDRO
N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)s2)cc1	ZINC000371249822	990320162	/nfs/dbraw/zinc/32/01/62/990320162.db2.gz	OVVIFPIBVRAGTO-KRWDZBQOSA-N	1	0	367.478	1.934	20	30		FDEDRO
C[C@H]1CN(CC(=O)NCc2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1	ZINC000371695447	990632578	/nfs/dbraw/zinc/63/25/78/990632578.db2.gz	XNBKNQPTMAAMLS-KRWDZBQOSA-N	1	0	369.513	1.275	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1	ZINC000875060075	990808839	/nfs/dbraw/zinc/80/88/39/990808839.db2.gz	KMZGKFMSVNXTGI-RBUKOAKNSA-N	1	0	371.481	1.484	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cn1	ZINC000875093562	990880505	/nfs/dbraw/zinc/88/05/05/990880505.db2.gz	SFSNFTXKUVJLDH-NVXWUHKLSA-N	1	0	354.458	1.412	20	30		FDEDRO
CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000372215812	990964917	/nfs/dbraw/zinc/96/49/17/990964917.db2.gz	FYLKFQNZPDDJNL-QEEYODRMSA-N	1	0	369.469	1.772	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccncc1	ZINC000875205101	991074179	/nfs/dbraw/zinc/07/41/79/991074179.db2.gz	ZMIIHMBPUOXJQY-ROUUACIJSA-N	1	0	356.470	1.948	20	30		FDEDRO
COC(=O)CN1CCC([NH2+][C@H]2CCCN(c3ccccc3C#N)C2)CC1	ZINC000372526011	991186787	/nfs/dbraw/zinc/18/67/87/991186787.db2.gz	ZNOHSJSTGSHREG-SFHVURJKSA-N	1	0	356.470	1.754	20	30		FDEDRO
CCCCCCCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000875250660	991194423	/nfs/dbraw/zinc/19/44/23/991194423.db2.gz	FNKJQLACHRFUSJ-INIZCTEOSA-N	1	0	353.507	1.690	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000875267961	991228204	/nfs/dbraw/zinc/22/82/04/991228204.db2.gz	BOQKVPPMRBRQTN-QXAKKESOSA-N	1	0	371.481	1.168	20	30		FDEDRO
N#CCc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)cc1	ZINC000372654689	991306181	/nfs/dbraw/zinc/30/61/81/991306181.db2.gz	NAATXTSUEBPUCK-ZWKOTPCHSA-N	1	0	370.453	1.139	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1	ZINC000372810799	991552330	/nfs/dbraw/zinc/55/23/30/991552330.db2.gz	WUNSGXNLKVHZTD-IPELMVKDSA-N	1	0	360.433	1.742	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1	ZINC000875603961	991793220	/nfs/dbraw/zinc/79/32/20/991793220.db2.gz	HGAMCEJEIBKFLQ-HKUYNNGSSA-N	1	0	371.481	1.264	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C	ZINC000875605061	991795400	/nfs/dbraw/zinc/79/54/00/991795400.db2.gz	VHLPGIOCMYDFEW-IEBWSBKVSA-N	1	0	371.481	1.264	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC12CCC2	ZINC000875861671	992088026	/nfs/dbraw/zinc/08/80/26/992088026.db2.gz	NBBFCBRQTLQFKG-QGZVFWFLSA-N	1	0	354.454	1.507	20	30		FDEDRO
C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCCN(CC(=O)N(CC)CC)CC1	ZINC000373276570	992094219	/nfs/dbraw/zinc/09/42/19/992094219.db2.gz	VMJXTWWIGFJGPJ-IEBWSBKVSA-N	1	0	365.518	1.760	20	30		FDEDRO
C=CCN(C(=O)NCc1nnn(C)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000373313149	992159637	/nfs/dbraw/zinc/15/96/37/992159637.db2.gz	IREZDFJQSYGRQJ-MRXNPFEDSA-N	1	0	355.446	1.182	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000875918855	992189988	/nfs/dbraw/zinc/18/99/88/992189988.db2.gz	XOIUSUCQVGGJCA-QUCCMNQESA-N	1	0	359.470	1.351	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000875923396	992198034	/nfs/dbraw/zinc/19/80/34/992198034.db2.gz	BEYZUEVESTUYIH-QRVBRYPASA-N	1	0	359.470	1.207	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1	ZINC000876079750	992283448	/nfs/dbraw/zinc/28/34/48/992283448.db2.gz	LJUGYEQRSHPQAF-QGZVFWFLSA-N	1	0	354.454	1.880	20	30		FDEDRO
C=CC[N@@H+](C)CCN(CC)[C@H](C)C(=O)NC[C@@H]1COc2ccccc2O1	ZINC000411640478	992529974	/nfs/dbraw/zinc/52/99/74/992529974.db2.gz	KQJPGRVKNQXYKZ-IAGOWNOFSA-N	1	0	361.486	1.771	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC[C@@H]1CCOC1=O	ZINC000876362001	992566164	/nfs/dbraw/zinc/56/61/64/992566164.db2.gz	CJMGDVVGNSZYKH-GOSISDBHSA-N	1	0	372.469	1.975	20	30		FDEDRO
COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1ccc(Cl)c(C#N)c1	ZINC000876473355	992638835	/nfs/dbraw/zinc/63/88/35/992638835.db2.gz	PFPRXVHDVRVQFC-KRWDZBQOSA-N	1	0	351.834	1.631	20	30		FDEDRO
COC[C@@]1(C[NH+](C)C)COCCN1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	ZINC000876474368	992644744	/nfs/dbraw/zinc/64/47/44/992644744.db2.gz	CCHIGVMNGMKXKH-NSHGMRRFSA-N	1	0	357.454	1.467	20	30		FDEDRO
Cc1cc(CN2CCN(C(=O)[C@H]3[NH2+]CCc4cc(C#N)ccc43)CC2)on1	ZINC000876503207	992669920	/nfs/dbraw/zinc/66/99/20/992669920.db2.gz	COYCCQPPTQBQNH-IBGZPJMESA-N	1	0	365.437	1.386	20	30		FDEDRO
COC(=O)[C@@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC[N@H+](C)C1	ZINC000411899289	992692334	/nfs/dbraw/zinc/69/23/34/992692334.db2.gz	BKOXMHSYGZINBV-HNNXBMFYSA-N	1	0	355.398	1.145	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000876603806	992734261	/nfs/dbraw/zinc/73/42/61/992734261.db2.gz	BCAYPBPQTBZXCW-OAHLLOKOSA-N	1	0	371.890	1.557	20	30		FDEDRO
CN(C(=O)C[N@@H+]1CC[C@](C(N)=O)(c2ccccc2)C1)C1(C#N)CCCCC1	ZINC000411961944	992742528	/nfs/dbraw/zinc/74/25/28/992742528.db2.gz	FXRIFSRDUIRZMQ-OAQYLSRUSA-N	1	0	368.481	1.800	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@H](O)COc1ccc(F)cc1	ZINC000876620082	992746638	/nfs/dbraw/zinc/74/66/38/992746638.db2.gz	HKYBADLRWZWKEU-QFBILLFUSA-N	1	0	369.396	1.440	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@]2(C1)CC(=O)c1ccccc1O2	ZINC000411989097	992754676	/nfs/dbraw/zinc/75/46/76/992754676.db2.gz	QYVPKUPVGJHSPA-BFUOFWGJSA-N	1	0	357.410	1.497	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1	ZINC000876681271	992791417	/nfs/dbraw/zinc/79/14/17/992791417.db2.gz	OCMZKGWYHGWWGX-HIFRSBDPSA-N	1	0	351.834	1.252	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1	ZINC000876753375	992873945	/nfs/dbraw/zinc/87/39/45/992873945.db2.gz	DTXPORCBVYMSJN-UKRRQHHQSA-N	1	0	356.898	1.048	20	30		FDEDRO
Cc1nnc([C@@H]2CCCN(C(=O)[C@@H]3[NH2+]CCc4cc(C#N)ccc43)C2)[nH]1	ZINC000876779878	992905234	/nfs/dbraw/zinc/90/52/34/992905234.db2.gz	CXCOVMWPFGWFNN-NVXWUHKLSA-N	1	0	350.426	1.578	20	30		FDEDRO
C[C@@H](NC(=O)C1(c2cccc(C#N)c2)CC1)C(=O)NCC[NH+]1CCCCC1	ZINC000412319357	992907700	/nfs/dbraw/zinc/90/77/00/992907700.db2.gz	IIEQZOUFXVQGQE-MRXNPFEDSA-N	1	0	368.481	1.697	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccco2)C1	ZINC000374617481	992910821	/nfs/dbraw/zinc/91/08/21/992910821.db2.gz	CEKKHWSWCANYTL-KGLIPLIRSA-N	1	0	362.430	1.122	20	30		FDEDRO
C[C@H](C(=O)N1CCCC1)N1CCN(Cc2cc(C#N)cnc2Cl)CC1	ZINC000876790484	992915196	/nfs/dbraw/zinc/91/51/96/992915196.db2.gz	JRWRZQCBODRIHR-CQSZACIVSA-N	1	0	361.877	1.735	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCN(Cc2ccncc2)CC1	ZINC000876872738	992942882	/nfs/dbraw/zinc/94/28/82/992942882.db2.gz	LJYFUVVWXOZSQR-HXUWFJFHSA-N	1	0	361.449	1.484	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCC[C@@H]1C(=O)Nc2ccccc21	ZINC000876872505	992943150	/nfs/dbraw/zinc/94/31/50/992943150.db2.gz	FVJWFVXEOSLPEZ-HKUYNNGSSA-N	1	0	360.417	1.987	20	30		FDEDRO
CCOC(=O)N1CCCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876878116	992945898	/nfs/dbraw/zinc/94/58/98/992945898.db2.gz	RMAPMVBPLBBOTO-KRWDZBQOSA-N	1	0	356.426	1.436	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(CN2CCN(C(C)=O)CC2)cc1	ZINC000876895384	992954324	/nfs/dbraw/zinc/95/43/24/992954324.db2.gz	ADCCXZWKMVGKEG-QGZVFWFLSA-N	1	0	364.877	1.759	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1	ZINC000876895730	992955735	/nfs/dbraw/zinc/95/57/35/992955735.db2.gz	JZYSNGNKTCPDCL-AWEZNQCLSA-N	1	0	355.797	1.707	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](Cc1ccccc1OC)C(=O)OC	ZINC000876903898	992960681	/nfs/dbraw/zinc/96/06/81/992960681.db2.gz	ZVIFALAMKKZMRS-UONOGXRCSA-N	1	0	354.834	1.613	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1	ZINC000876905922	992962033	/nfs/dbraw/zinc/96/20/33/992962033.db2.gz	MMSCMNOWSPCAOO-KBPBESRZSA-N	1	0	363.824	1.985	20	30		FDEDRO
CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1(C#N)CCOCC1	ZINC000412677956	992969357	/nfs/dbraw/zinc/96/93/57/992969357.db2.gz	UHJAQPBSPDMTSY-RTBURBONSA-N	1	0	371.481	1.960	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCn2c(Cc3cccc(F)c3)nnc2C1	ZINC000876944683	992977093	/nfs/dbraw/zinc/97/70/93/992977093.db2.gz	OZTHTFWVZNNLMH-AWEZNQCLSA-N	1	0	363.824	1.820	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1	ZINC000876959055	992984124	/nfs/dbraw/zinc/98/41/24/992984124.db2.gz	OTFNTVNIUDZLPK-ZNMIVQPWSA-N	1	0	361.829	1.100	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+]CCNS(=O)(=O)Cc1ccccc1	ZINC000876961431	992985320	/nfs/dbraw/zinc/98/53/20/992985320.db2.gz	UAPCGNWYRFOFNZ-MRXNPFEDSA-N	1	0	365.499	1.795	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)C[C@H]21	ZINC000375050998	992988996	/nfs/dbraw/zinc/98/89/96/992988996.db2.gz	UIZHDOBSGBLWPG-RHSMWYFYSA-N	1	0	354.454	1.979	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])s1	ZINC000876972592	992990648	/nfs/dbraw/zinc/99/06/48/992990648.db2.gz	WNKFMDLXEDGLLS-OLZOCXBDSA-N	1	0	371.528	1.341	20	30		FDEDRO
CC(C)(C)c1nnc2n1CCN(C(=O)[C@H]1[NH2+]CCc3cc(C#N)ccc31)C2	ZINC000876979197	992994524	/nfs/dbraw/zinc/99/45/24/992994524.db2.gz	WUZNBDNTXAQBTC-KRWDZBQOSA-N	1	0	364.453	1.676	20	30		FDEDRO
Cn1ncc(C(F)(F)F)c1CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000876991916	992997922	/nfs/dbraw/zinc/99/79/22/992997922.db2.gz	INCSBQDJBVLDBP-OAHLLOKOSA-N	1	0	363.343	1.814	20	30		FDEDRO
COC(=O)Cc1ccc(CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)cc1	ZINC000876994032	992998664	/nfs/dbraw/zinc/99/86/64/992998664.db2.gz	AIXYOIZHUYYCDJ-FQEVSTJZSA-N	1	0	363.417	1.777	20	30		FDEDRO
COC(=O)c1cn([C@@H]2CC[N@H+](CCOc3ccc(C#N)cc3OC)C2)nn1	ZINC000375193695	993023294	/nfs/dbraw/zinc/02/32/94/993023294.db2.gz	PQQPVXYTPPSEDT-CQSZACIVSA-N	1	0	371.397	1.271	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CC(=O)Nc1ccc2c(c1)OCCO2	ZINC000877113522	993053921	/nfs/dbraw/zinc/05/39/21/993053921.db2.gz	AKSUZSRWSSUUHQ-GFCCVEGCSA-N	1	0	353.806	1.325	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CC[C@H]3O[C@@H](C(=O)N4CCOCC4)C[C@H]32)cc1	ZINC001137116919	993062932	/nfs/dbraw/zinc/06/29/32/993062932.db2.gz	VHURKLKQGNRJBQ-GUDVDZBRSA-N	1	0	371.437	1.180	20	30		FDEDRO
C=CCC1(C(=O)NCc2cccc(-n3cc(C[NH3+])nn3)c2)CCOCC1	ZINC000877206652	993105524	/nfs/dbraw/zinc/10/55/24/993105524.db2.gz	KNEZVRHCHYRXGM-UHFFFAOYSA-N	1	0	355.442	1.715	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)[C@]3(C(F)(F)F)CC[NH2+]C3)CC2)cc1	ZINC000877248703	993146303	/nfs/dbraw/zinc/14/63/03/993146303.db2.gz	BYNMNNTVQDCVFJ-INIZCTEOSA-N	1	0	352.360	1.749	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C1CCN(C(=O)[C@H]2OCC[C@H]2C)CC1	ZINC001202546357	993257815	/nfs/dbraw/zinc/25/78/15/993257815.db2.gz	NJYBPXVYGHVYPZ-QAPCUYQASA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1	ZINC000467131664	993270448	/nfs/dbraw/zinc/27/04/48/993270448.db2.gz	NATAILOSXBNRAW-UHFFFAOYSA-N	1	0	372.469	1.357	20	30		FDEDRO
C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000467608679	993337921	/nfs/dbraw/zinc/33/79/21/993337921.db2.gz	POEFEAMUDRZICN-CQSZACIVSA-N	1	0	370.457	1.375	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]Cc3ccc(CN4CCNC4=O)cc3)cnc12	ZINC000877735257	993488175	/nfs/dbraw/zinc/48/81/75/993488175.db2.gz	RHCZWOCHEOINRW-UHFFFAOYSA-N	1	0	361.409	1.416	20	30		FDEDRO
C=CC[C@H](C(=O)OC)N1CCC(CC(=O)N2CCN(CC)CC2)CC1	ZINC000878089398	993698426	/nfs/dbraw/zinc/69/84/26/993698426.db2.gz	FVYXXBHMCVGZSD-QGZVFWFLSA-N	1	0	351.491	1.370	20	30		FDEDRO
C=CCOC(=O)[C@H](CC(=O)N[C@H]1CCC[N@@H+](C)C1)NC(=O)OC(C)(C)C	ZINC000878372851	993928901	/nfs/dbraw/zinc/92/89/01/993928901.db2.gz	CNDJICDRTCKHLR-KBPBESRZSA-N	1	0	369.462	1.209	20	30		FDEDRO
C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1	ZINC000470014099	993932342	/nfs/dbraw/zinc/93/23/42/993932342.db2.gz	UYGKYFDJRGTZHL-RTBURBONSA-N	1	0	368.481	1.992	20	30		FDEDRO
N#Cc1cc(C[NH+]2C[C@@H]3C[C@]3(CO)C2)cc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)c1	ZINC000878482300	993978030	/nfs/dbraw/zinc/97/80/30/993978030.db2.gz	ONINACRWSDAFPV-UWHLTILDSA-N	1	0	353.466	1.187	20	30		FDEDRO
COCCO[C@@H]1C[C@H](CO)C[N@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1	ZINC000878522603	993996507	/nfs/dbraw/zinc/99/65/07/993996507.db2.gz	PKOOIKWRMIYUNA-TYPHKJRUSA-N	1	0	374.481	1.773	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(S(N)(=O)=O)o1)C2	ZINC001095683475	994006486	/nfs/dbraw/zinc/00/64/86/994006486.db2.gz	LOKJDKKAMTZNBT-AGIUHOORSA-N	1	0	353.444	1.228	20	30		FDEDRO
C=CCN1CC[C@H](N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CCC[NH+]2CCC4)C3)C1=O	ZINC001095684504	994021050	/nfs/dbraw/zinc/02/10/50/994021050.db2.gz	INKPZFJYJHXKFF-OWSLCNJRSA-N	1	0	372.513	1.123	20	30		FDEDRO
C#CCNC(=O)CC[N@H+]1CC[C@@H](Oc2cncc(Br)c2)C1	ZINC000878876019	994313483	/nfs/dbraw/zinc/31/34/83/994313483.db2.gz	IRMLYMGGCRVOTH-CYBMUJFWSA-N	1	0	352.232	1.437	20	30		FDEDRO
CC(C)(O)C[C@@H](O)C[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000878935020	994363846	/nfs/dbraw/zinc/36/38/46/994363846.db2.gz	ZDQFLVUDSSAQEK-QGZVFWFLSA-N	1	0	369.469	1.592	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCc1ccnn1C)C2	ZINC000965160837	1015864594	/nfs/dbraw/zinc/86/45/94/1015864594.db2.gz	OZZOLGQKTZTFIR-CPNAEUAOSA-N	1	0	358.486	1.571	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1cc3n(n1)CCC3)C2	ZINC000965159947	1015864599	/nfs/dbraw/zinc/86/45/99/1015864599.db2.gz	IQCGOHCUBIEMAV-LNRVIDESSA-N	1	0	370.497	1.937	20	30		FDEDRO
Cc1cc(NC(=O)N2CCC([NH+]3CCN(C)CC3)CC2)nn1CCC#N	ZINC000879079253	994516768	/nfs/dbraw/zinc/51/67/68/994516768.db2.gz	ZAUDNTOGROMBKI-UHFFFAOYSA-N	1	0	359.478	1.349	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1C(=O)CNC1=O	ZINC001110892307	994589704	/nfs/dbraw/zinc/58/97/04/994589704.db2.gz	UWDYCJAIXCMACF-KFWWJZLASA-N	1	0	362.474	1.252	20	30		FDEDRO
CNC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000879332879	994779741	/nfs/dbraw/zinc/77/97/41/994779741.db2.gz	MBSDBULFNBBZBH-DLBZAZTESA-N	1	0	360.458	1.276	20	30		FDEDRO
CN(C)c1cc[nH+]c(CNC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)c1	ZINC000924677096	994926919	/nfs/dbraw/zinc/92/69/19/994926919.db2.gz	XTKKVUAMZIQYDD-GOSISDBHSA-N	1	0	353.426	1.894	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNS(=O)(=O)CC	ZINC001110897350	995185172	/nfs/dbraw/zinc/18/51/72/995185172.db2.gz	JMKCKYOWUMMEKJ-KFWWJZLASA-N	1	0	357.520	1.250	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(N3C(=O)[C@H]4CSCN4C3=O)CC2)c1	ZINC000924970215	995198225	/nfs/dbraw/zinc/19/82/25/995198225.db2.gz	PKDVJXLNVOALET-MRXNPFEDSA-N	1	0	356.451	1.860	20	30		FDEDRO
C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ccccc1S(=O)(=O)N(C)CCO	ZINC000925410118	995571978	/nfs/dbraw/zinc/57/19/78/995571978.db2.gz	QNDOCTBFEADDNZ-AWEZNQCLSA-N	1	0	353.488	1.717	20	30		FDEDRO
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCNCC[NH2+]CC2)n1	ZINC000926088816	995915444	/nfs/dbraw/zinc/91/54/44/995915444.db2.gz	NAPKOSPYEUWBSQ-UHFFFAOYSA-N	1	0	373.848	1.424	20	30		FDEDRO
COc1cc(C(=O)N[C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)ccc1C#N	ZINC000926145547	995937387	/nfs/dbraw/zinc/93/73/87/995937387.db2.gz	XIYCMRLFYSOVRV-ZTRFORPCSA-N	1	0	357.454	1.776	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O	ZINC000926166883	995953134	/nfs/dbraw/zinc/95/31/34/995953134.db2.gz	RNPMIKYEJDDUOI-OHRYMORCSA-N	1	0	359.470	1.856	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)COc1ccccc1C#N)C2	ZINC000926190945	995970279	/nfs/dbraw/zinc/97/02/79/995970279.db2.gz	YPAJEVBVBMODQY-YKCBXCCJSA-N	1	0	357.454	1.533	20	30		FDEDRO
N#Cc1cccnc1OC1CCC([NH2+][C@@H]2C(=O)NCC23CCOCC3)CC1	ZINC000926235070	995984163	/nfs/dbraw/zinc/98/41/63/995984163.db2.gz	DZXXJVXXHLLSAT-OFLPRAFFSA-N	1	0	370.453	1.528	20	30		FDEDRO
COC[C@H](O)C[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1	ZINC000926371539	996094264	/nfs/dbraw/zinc/09/42/64/996094264.db2.gz	JOSIFQCZENSOOR-HUUCEWRRSA-N	1	0	355.479	1.903	20	30		FDEDRO
C#CCN(C)CCC[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2	ZINC000926491970	996176264	/nfs/dbraw/zinc/17/62/64/996176264.db2.gz	ZDDRXQKPFGIQPJ-FZDBZEDMSA-N	1	0	365.518	1.849	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)NCC(=O)NCc1ccccc1)c1cccc(C#N)c1	ZINC000926965867	996378285	/nfs/dbraw/zinc/37/82/85/996378285.db2.gz	XAAJEBOZKKWKSK-OAHLLOKOSA-N	1	0	350.422	1.641	20	30		FDEDRO
C[C@@H]([NH2+]CCNc1ccc(C#N)cn1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000927164183	996474454	/nfs/dbraw/zinc/47/44/54/996474454.db2.gz	INZSWFLROAVTRX-CQSZACIVSA-N	1	0	373.482	1.966	20	30		FDEDRO
C=CCN1C(=S)N=NC1c1sc(NC(=O)COCC[NH3+])nc1C	ZINC000826532118	996841829	/nfs/dbraw/zinc/84/18/29/996841829.db2.gz	ROKZOAFPDLDYMI-UHFFFAOYSA-N	1	0	354.461	1.099	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1	ZINC000887039550	996859870	/nfs/dbraw/zinc/85/98/70/996859870.db2.gz	MRDNHBXDYNHNQI-LJQANCHMSA-N	1	0	374.416	1.659	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1	ZINC000887040799	996862238	/nfs/dbraw/zinc/86/22/38/996862238.db2.gz	KYCVWGUHLKNVCR-IBGZPJMESA-N	1	0	356.426	1.498	20	30		FDEDRO
C#CCC1([NH2+]CCC(=O)N2CCN(c3ccccn3)CC2)CCOCC1	ZINC000887124645	996954987	/nfs/dbraw/zinc/95/49/87/996954987.db2.gz	MXJBESQKGVYXOX-UHFFFAOYSA-N	1	0	356.470	1.282	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N(CCC(N)=O)c2ccccc2OC)CCOCC1	ZINC000887125618	996955268	/nfs/dbraw/zinc/95/52/68/996955268.db2.gz	CVTPLPCTFCUXDZ-UHFFFAOYSA-N	1	0	373.453	1.066	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCCNC(=O)c2cccc(C)c2)cc1OC	ZINC000264073083	997395678	/nfs/dbraw/zinc/39/56/78/997395678.db2.gz	DTVSYKYWHXGNNE-UHFFFAOYSA-N	1	0	370.453	1.847	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cccc(CN3C(=O)CNC3=O)c2)CC1	ZINC000264504890	997526618	/nfs/dbraw/zinc/52/66/18/997526618.db2.gz	RFYAROCYJYJORV-UHFFFAOYSA-N	1	0	356.426	1.119	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1	ZINC000264524528	997531794	/nfs/dbraw/zinc/53/17/94/997531794.db2.gz	XAKQXPFQJQUFTB-HNNXBMFYSA-N	1	0	356.426	1.592	20	30		FDEDRO
CC(C)(C)OC(=O)NC1CCN(CC(=O)N2CCO[C@@](C)(C#N)C2)CC1	ZINC000887678433	997640745	/nfs/dbraw/zinc/64/07/45/997640745.db2.gz	BGHCXIXMZAKPHB-SFHVURJKSA-N	1	0	366.462	1.117	20	30		FDEDRO
C#CCC1(NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CCOCC1	ZINC000888014422	998020221	/nfs/dbraw/zinc/02/02/21/998020221.db2.gz	FFLNMTFYPZWTOE-UHFFFAOYSA-N	1	0	362.518	1.417	20	30		FDEDRO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@@H]1CCCc2cc(C#N)ccc21	ZINC000889252467	998246755	/nfs/dbraw/zinc/24/67/55/998246755.db2.gz	UNTRRYKHXQNZNI-KBXCAEBGSA-N	1	0	369.469	1.697	20	30		FDEDRO
CCCCCCCCNC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC000826634879	998314851	/nfs/dbraw/zinc/31/48/51/998314851.db2.gz	RCAKJDHEUVCQSH-KRWDZBQOSA-N	1	0	353.507	1.521	20	30		FDEDRO
N#CCCN1CCN(C(=O)NCc2ccc(Nc3cc[nH+]cc3)cc2)CC1	ZINC000889407455	998327517	/nfs/dbraw/zinc/32/75/17/998327517.db2.gz	BXMXPAHMWVRSEF-UHFFFAOYSA-N	1	0	364.453	1.988	20	30		FDEDRO
Cc1c(C(=O)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)cnn1CCC#N	ZINC000889649642	998500973	/nfs/dbraw/zinc/50/09/73/998500973.db2.gz	BZQVFYFYSRPAJG-MRXNPFEDSA-N	1	0	367.457	1.893	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1	ZINC000890028946	998782668	/nfs/dbraw/zinc/78/26/68/998782668.db2.gz	PDCFPNBZVYQDKJ-RHSMWYFYSA-N	1	0	367.453	1.561	20	30		FDEDRO
C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000890057925	998796615	/nfs/dbraw/zinc/79/66/15/998796615.db2.gz	QTQQRLGOWBSWRL-RHSMWYFYSA-N	1	0	355.442	1.185	20	30		FDEDRO
C=C[C@@H]1CCCCN1C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000890134807	998834639	/nfs/dbraw/zinc/83/46/39/998834639.db2.gz	SXHRJRRKJBVYMB-ZWKOTPCHSA-N	1	0	350.507	1.533	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)N[C@](C)(CO)Cc2ccc(OC)cc2)C1	ZINC000890360950	998913248	/nfs/dbraw/zinc/91/32/48/998913248.db2.gz	GLFZVTVZDUXRJJ-PXNSSMCTSA-N	1	0	359.470	1.386	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)n1	ZINC000890400898	998931033	/nfs/dbraw/zinc/93/10/33/998931033.db2.gz	YNXCBBZBVFUJGD-INIZCTEOSA-N	1	0	355.442	1.609	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNc3cc(C)ncc3C#N)C2)CC[N@@H+]1C	ZINC001066687611	999021130	/nfs/dbraw/zinc/02/11/30/999021130.db2.gz	NDKIFSYBWXAZTP-JENIJYKNSA-N	1	0	371.485	1.053	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccn(C)c(=O)c1	ZINC001110859481	999059429	/nfs/dbraw/zinc/05/94/29/999059429.db2.gz	AHYAJYQBAOEJCE-WIRSXHRWSA-N	1	0	373.497	1.836	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCNC(=O)C1CC1	ZINC001110863214	999072222	/nfs/dbraw/zinc/07/22/22/999072222.db2.gz	AFLIUIARPCFXLH-PDOICOKGSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3cc(C)nn3c1C)C2	ZINC001110876595	999098561	/nfs/dbraw/zinc/09/85/61/999098561.db2.gz	PJRFDAZQSAKTPF-NXHRZFHOSA-N	1	0	369.469	1.884	20	30		FDEDRO
C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000266637878	999207167	/nfs/dbraw/zinc/20/71/67/999207167.db2.gz	LCELCKYUOPRASN-LLVKDONJSA-N	1	0	368.359	1.926	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1	ZINC000266669540	999212267	/nfs/dbraw/zinc/21/22/67/999212267.db2.gz	IUEYRQBWZZMVFC-GFCCVEGCSA-N	1	0	372.425	1.111	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CC[NH+](C2CCOCC2)CC1	ZINC000266978418	999281681	/nfs/dbraw/zinc/28/16/81/999281681.db2.gz	XZAAOHVWVMDHEJ-UHFFFAOYSA-N	1	0	359.426	1.269	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=NOCC(=O)NCc2ccccc2F)cc1	ZINC000267041671	999291706	/nfs/dbraw/zinc/29/17/06/999291706.db2.gz	ZFXNPSWDIJJLMH-UHFFFAOYSA-N	1	0	358.417	1.841	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NC[C@H](CO)c2ccccc2)cc1OC	ZINC000267401469	999326334	/nfs/dbraw/zinc/32/63/34/999326334.db2.gz	GCILWJUXRWVBNR-QGZVFWFLSA-N	1	0	357.454	1.927	20	30		FDEDRO
COCCNC(=[NH2+])NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N	ZINC000267431656	999333987	/nfs/dbraw/zinc/33/39/87/999333987.db2.gz	MPWAUGWSFKTKFQ-UHFFFAOYSA-N	1	0	355.446	1.118	20	30		FDEDRO
C[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)Oc1cccc(F)c1	ZINC000267443647	999336908	/nfs/dbraw/zinc/33/69/08/999336908.db2.gz	PNTUDIPFQQKXOH-CQSZACIVSA-N	1	0	358.421	1.520	20	30		FDEDRO
C[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)N(C)Cc1ccccc1	ZINC000267474200	999344726	/nfs/dbraw/zinc/34/47/26/999344726.db2.gz	YYCJINNDGGYHPV-QGZVFWFLSA-N	1	0	367.501	1.434	20	30		FDEDRO
CC(C)[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)c1cccnc1	ZINC000267539835	999357690	/nfs/dbraw/zinc/35/76/90/999357690.db2.gz	AXXZNCGICVMDHN-KRWDZBQOSA-N	1	0	353.474	1.748	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccco1)C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000268062659	999421599	/nfs/dbraw/zinc/42/15/99/999421599.db2.gz	VTGWRWACMLKZCH-ZCXUNETKSA-N	1	0	360.414	1.086	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cccc(OCC#N)c3)CC[C@H]21	ZINC000269040228	999462820	/nfs/dbraw/zinc/46/28/20/999462820.db2.gz	WUOTZWYUOYFPPV-RHSMWYFYSA-N	1	0	356.426	1.470	20	30		FDEDRO
N#CCC[C@H](NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)c1ccccc1	ZINC000269641291	999470685	/nfs/dbraw/zinc/47/06/85/999470685.db2.gz	XLXBQIBKMRGGJN-IRXDYDNUSA-N	1	0	357.458	1.670	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2ccc(CC#N)cc2)cc1	ZINC000270299175	999536729	/nfs/dbraw/zinc/53/67/29/999536729.db2.gz	NOVVEJWKLLBVHF-UHFFFAOYSA-N	1	0	364.449	1.974	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(O)(COC)CC2)c(OC)c1	ZINC000270347790	999544043	/nfs/dbraw/zinc/54/40/43/999544043.db2.gz	GQHNPOJZHCOZPQ-KRWDZBQOSA-N	1	0	365.470	1.637	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](N3CCCC3=O)C2)c(OC)c1	ZINC000270895594	999630868	/nfs/dbraw/zinc/63/08/68/999630868.db2.gz	LVFRTVQNDSXGOE-ROUUACIJSA-N	1	0	374.481	1.860	20	30		FDEDRO
CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C1	ZINC000271022630	999649997	/nfs/dbraw/zinc/64/99/97/999649997.db2.gz	AUGLOIHFYFRFEN-OAHLLOKOSA-N	1	0	360.462	1.234	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)nn1CCC#N	ZINC000271037568	999651342	/nfs/dbraw/zinc/65/13/42/999651342.db2.gz	JJOZKHQRSZGEAK-CQSZACIVSA-N	1	0	374.489	1.670	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)nn1CCC#N	ZINC000271104536	999661916	/nfs/dbraw/zinc/66/19/16/999661916.db2.gz	ZJIYVLHDYZVXRX-UHFFFAOYSA-N	1	0	372.473	1.521	20	30		FDEDRO
COc1ccc(CN2CCC[N@H+](CCC(=O)N(C)CCC#N)CC2=O)cc1	ZINC000274469882	999739323	/nfs/dbraw/zinc/73/93/23/999739323.db2.gz	NTHFYQHZACZTCT-UHFFFAOYSA-N	1	0	372.469	1.492	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1	ZINC000283882842	999763171	/nfs/dbraw/zinc/76/31/71/999763171.db2.gz	CUQMDASVLNQBDM-UHFFFAOYSA-N	1	0	359.470	1.608	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CCCc2c[nH]nc21)C(C)C	ZINC000283993385	999765177	/nfs/dbraw/zinc/76/51/77/999765177.db2.gz	JPPSZQGCULIUOF-DLBZAZTESA-N	1	0	373.501	1.718	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N(C)CCc1ccncc1)C(C)C	ZINC000284126777	999777653	/nfs/dbraw/zinc/77/76/53/999777653.db2.gz	RCVRMTGIWVKTFH-LJQANCHMSA-N	1	0	372.513	1.897	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)[C@@H](C)C1	ZINC000284134578	999778010	/nfs/dbraw/zinc/77/80/10/999778010.db2.gz	WDXMBNANSOHCLG-DAYGRLMNSA-N	1	0	356.470	1.924	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1cccc(C[N@@H+](C)CC)c1	ZINC000285022678	999895205	/nfs/dbraw/zinc/89/52/05/999895205.db2.gz	MWHUIWKSCIKRMU-MOPGFXCFSA-N	1	0	373.497	1.852	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1	ZINC000285032103	999896244	/nfs/dbraw/zinc/89/62/44/999896244.db2.gz	HTMRGKQJTOZOOO-QGZVFWFLSA-N	1	0	371.481	1.810	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCc3cc(F)ccc3C2)CC1	ZINC000286369925	999944130	/nfs/dbraw/zinc/94/41/30/999944130.db2.gz	CIMCCGQLJAULKJ-UHFFFAOYSA-N	1	0	359.445	1.867	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CCOc2ccc(C)cc2)CC1	ZINC000286629554	999945515	/nfs/dbraw/zinc/94/55/15/999945515.db2.gz	MHAKTHQNXMVHLG-UHFFFAOYSA-N	1	0	373.497	1.989	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NCCCCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000286680284	999945916	/nfs/dbraw/zinc/94/59/16/999945916.db2.gz	IPTYCOOXJBOGKV-SJLPKXTDSA-N	1	0	356.470	1.823	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)CC1	ZINC000286698267	999946348	/nfs/dbraw/zinc/94/63/48/999946348.db2.gz	PTHAKDAADXZLGF-WBVHZDCISA-N	1	0	359.474	1.059	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccnc(OC(C)C)c2)CC1	ZINC000286797696	999950844	/nfs/dbraw/zinc/95/08/44/999950844.db2.gz	URTXWZSHVXUVKB-UHFFFAOYSA-N	1	0	360.458	1.252	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2c(CC)noc2CC)CC1	ZINC000286830502	999951994	/nfs/dbraw/zinc/95/19/94/999951994.db2.gz	XGFLJRBAFKXLFL-UHFFFAOYSA-N	1	0	362.474	1.572	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21	ZINC000287443456	999957980	/nfs/dbraw/zinc/95/79/80/999957980.db2.gz	SBPXIRBHCXGRCJ-QZTJIDSGSA-N	1	0	371.481	1.810	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1	ZINC000288016531	999982808	/nfs/dbraw/zinc/98/28/08/999982808.db2.gz	RNRDILHVPVPZCB-UHFFFAOYSA-N	1	0	360.458	1.940	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C	ZINC000288162072	999992496	/nfs/dbraw/zinc/99/24/96/999992496.db2.gz	QCJXVDDYVWREKT-UKRRQHHQSA-N	1	0	356.426	1.591	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000288216669	999997662	/nfs/dbraw/zinc/99/76/62/999997662.db2.gz	PBVSRRFAIRENGP-MJGOQNOKSA-N	1	0	373.497	1.722	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)C(C)(C)C	ZINC000288229629	999998880	/nfs/dbraw/zinc/99/88/80/999998880.db2.gz	AJQDIMMBTNRZTN-GOSISDBHSA-N	1	0	370.497	1.537	20	30		FDEDRO
CCC[C@@]1(CO)CCN(CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1	ZINC000288923569	1000059683	/nfs/dbraw/zinc/05/96/83/1000059683.db2.gz	VHZIOJYTGUJZGY-MGPUTAFESA-N	1	0	368.437	1.996	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNS(=O)(=O)Cc2ccc(C#N)cc2)ccn1	ZINC000289238175	1000084018	/nfs/dbraw/zinc/08/40/18/1000084018.db2.gz	SLKLSKWJZWSVAG-UHFFFAOYSA-N	1	0	374.466	1.513	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000289446727	1000099487	/nfs/dbraw/zinc/09/94/87/1000099487.db2.gz	SRBKNONTQZGJEF-SFHVURJKSA-N	1	0	359.470	1.428	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1	ZINC000289471830	1000101360	/nfs/dbraw/zinc/10/13/60/1000101360.db2.gz	WFFLQZQYJYJFBU-MRXNPFEDSA-N	1	0	374.485	1.432	20	30		FDEDRO
C=CCCCNC(=O)C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1	ZINC000289745244	1000116615	/nfs/dbraw/zinc/11/66/15/1000116615.db2.gz	LSVGQAIFBQRJIZ-UHFFFAOYSA-N	1	0	358.486	1.629	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CC[N@@H+](CCn3cnc4ccccc4c3=O)C2)nc1	ZINC000292151047	1000214766	/nfs/dbraw/zinc/21/47/66/1000214766.db2.gz	KFSPHHPNZBXUIW-MRXNPFEDSA-N	1	0	361.405	1.816	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1	ZINC000292290790	1000227806	/nfs/dbraw/zinc/22/78/06/1000227806.db2.gz	JJJQYDWQFDCSEP-RDJZCZTQSA-N	1	0	363.458	1.267	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCO[C@H]1CCOC1	ZINC000927514482	1000880374	/nfs/dbraw/zinc/88/03/74/1000880374.db2.gz	JONIEWVDOMNPBZ-SFHVURJKSA-N	1	0	360.458	1.437	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CC[C@]4(CC[NH2+]C4)C3)cc21	ZINC000927797134	1001055610	/nfs/dbraw/zinc/05/56/10/1001055610.db2.gz	AXHWQNXUCHPXPB-IBGZPJMESA-N	1	0	353.426	1.373	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3C[C@@H]4CCC[C@]4(C[NH3+])C3)cc21	ZINC000927802625	1001062748	/nfs/dbraw/zinc/06/27/48/1001062748.db2.gz	LBZUTOHRUXHVGK-YWZLYKJASA-N	1	0	367.453	1.748	20	30		FDEDRO
N#CCCc1ccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1	ZINC000927843513	1001102081	/nfs/dbraw/zinc/10/20/81/1001102081.db2.gz	XPYFTFQANHPNOP-KBPBESRZSA-N	1	0	368.359	1.819	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c1C#N	ZINC000927849430	1001115650	/nfs/dbraw/zinc/11/56/50/1001115650.db2.gz	RGOHTVUSMQPQLC-NWDGAFQWSA-N	1	0	354.332	1.543	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)ccc1F	ZINC000927849265	1001115700	/nfs/dbraw/zinc/11/57/00/1001115700.db2.gz	PQBYXPFFKYUNCO-CMPLNLGQSA-N	1	0	358.295	1.374	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]CC3)CC2)n1	ZINC000927895879	1001200866	/nfs/dbraw/zinc/20/08/66/1001200866.db2.gz	QZOZJWHWMUBDQJ-HNNXBMFYSA-N	1	0	369.469	1.714	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CCCOc2ccc3c(c2)NC(=O)CC3)CC1	ZINC000928652915	1001609993	/nfs/dbraw/zinc/60/99/93/1001609993.db2.gz	RESFFYVGEDGCHA-UHFFFAOYSA-N	1	0	369.465	1.944	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C2CCN(C(=O)[C@H](C)CSC)CC2)CC1	ZINC000928653446	1001610631	/nfs/dbraw/zinc/61/06/31/1001610631.db2.gz	MMJHHXWMSADQEC-OAHLLOKOSA-N	1	0	365.543	1.438	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2F)N2CCOCC2)CC1	ZINC000928656152	1001611949	/nfs/dbraw/zinc/61/19/49/1001611949.db2.gz	MVDBWBARJWQXPJ-LJQANCHMSA-N	1	0	359.445	1.413	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)CC1	ZINC000928657045	1001612442	/nfs/dbraw/zinc/61/24/42/1001612442.db2.gz	NQKFYJSMDFHPRN-HOTGVXAUSA-N	1	0	356.470	1.523	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CCn2cnc3c(C)cccc3c2=O)CC1	ZINC000928659172	1001614672	/nfs/dbraw/zinc/61/46/72/1001614672.db2.gz	GNSOHTNUSHASTQ-UHFFFAOYSA-N	1	0	352.438	1.309	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cc(Br)cn3ccnc23)CC1	ZINC000928659941	1001615313	/nfs/dbraw/zinc/61/53/13/1001615313.db2.gz	FEKVQVVAUJGZLT-UHFFFAOYSA-N	1	0	361.243	1.924	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C)cc1	ZINC000947972212	1001990585	/nfs/dbraw/zinc/99/05/85/1001990585.db2.gz	CHVGIHGZZLVKCW-ATZDWAIDSA-N	1	0	369.465	1.370	20	30		FDEDRO
C[NH+](C)Cc1cccc(NC(=O)N2C[C@@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1	ZINC000929564251	1002209763	/nfs/dbraw/zinc/20/97/63/1002209763.db2.gz	IMGXSKPETUXZKJ-RHSMWYFYSA-N	1	0	362.455	1.150	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1	ZINC000929589499	1002232657	/nfs/dbraw/zinc/23/26/57/1002232657.db2.gz	RNSNHPHJMADTDF-UHFFFAOYSA-N	1	0	353.488	1.248	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1	ZINC000965950420	1016592557	/nfs/dbraw/zinc/59/25/57/1016592557.db2.gz	XHPRWQKLPKVKCI-TWMKSMIVSA-N	1	0	351.491	1.415	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H](C)COc1cccc(C)c1)C1CC[NH+](C)CC1	ZINC000929624203	1002279337	/nfs/dbraw/zinc/27/93/37/1002279337.db2.gz	NXTJDJWSSAJSQH-KRWDZBQOSA-N	1	0	371.481	1.435	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](F)CCCCCC)C2	ZINC001111278275	1002540593	/nfs/dbraw/zinc/54/05/93/1002540593.db2.gz	DOOMCIBFEQIWER-VQHPVUNQSA-N	1	0	351.466	1.766	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)/C=C\c3ccc[nH]3)C[C@H]2C)CC1	ZINC000948689903	1002566901	/nfs/dbraw/zinc/56/69/01/1002566901.db2.gz	HFRRXEFSDNKYRN-QXJVMSCWSA-N	1	0	368.481	1.336	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCc3ccccc3C2)CC1	ZINC000930006443	1002729016	/nfs/dbraw/zinc/72/90/16/1002729016.db2.gz	GISWFDQBUOMUBP-IBGZPJMESA-N	1	0	355.482	1.817	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3ccccc3)[C@H](C)C2)CC1	ZINC000930007469	1002730660	/nfs/dbraw/zinc/73/06/60/1002730660.db2.gz	RJJQQCDKIQECSW-QGZVFWFLSA-N	1	0	370.497	1.490	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2cnn(CC3CCC3)c2)CC1	ZINC000930008836	1002731981	/nfs/dbraw/zinc/73/19/81/1002731981.db2.gz	ACKRMBZEBQMDPW-UHFFFAOYSA-N	1	0	373.501	1.456	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1	ZINC000190032847	1002753570	/nfs/dbraw/zinc/75/35/70/1002753570.db2.gz	OWOKTZHCHRDEMO-OAHLLOKOSA-N	1	0	374.416	1.753	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1)[NH+]1CCCCCC1	ZINC000948982540	1002904004	/nfs/dbraw/zinc/90/40/04/1002904004.db2.gz	GVGILGSYUFESDC-RVKKMQEKSA-N	1	0	371.485	1.728	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)NCC[NH+]2CCC(O)CC2)c1	ZINC000930179613	1002910540	/nfs/dbraw/zinc/91/05/40/1002910540.db2.gz	FPTMLUMOKRMTCG-UHFFFAOYSA-N	1	0	354.357	1.738	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+](C)CCOCCN2C(=O)c3ccccc3C2=O)C1=O	ZINC000930310883	1003013342	/nfs/dbraw/zinc/01/33/42/1003013342.db2.gz	SFQQBWDIDHSPGE-QGZVFWFLSA-N	1	0	371.437	1.018	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C)cc1	ZINC000949185094	1003070806	/nfs/dbraw/zinc/07/08/06/1003070806.db2.gz	UVWHJZKXCWNLES-SZVBFZGTSA-N	1	0	369.465	1.227	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCOC2(CC[NH+](C[C@H](C)OC)CC2)C1	ZINC000949209905	1003103376	/nfs/dbraw/zinc/10/33/76/1003103376.db2.gz	WCDILLUTAOQLJS-BZSNNMDCSA-N	1	0	366.502	1.696	20	30		FDEDRO
C#C[C@@](C)(CC)[NH2+]C[C@H](O)COc1cn(-c2ccccc2)nc1C(=O)OC	ZINC000930601177	1003313648	/nfs/dbraw/zinc/31/36/48/1003313648.db2.gz	QQSPQAUFPGQHIO-JXFKEZNVSA-N	1	0	371.437	1.790	20	30		FDEDRO
C[C@@H]1CC[C@H](C(N)=O)[C@H](C)[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O	ZINC000930910706	1003655056	/nfs/dbraw/zinc/65/50/56/1003655056.db2.gz	HJZILTXRWDDEPZ-ILXRZTDVSA-N	1	0	353.422	1.260	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1C#N	ZINC000930956579	1003711198	/nfs/dbraw/zinc/71/11/98/1003711198.db2.gz	FQHWCAIQDFBMSH-ROUUACIJSA-N	1	0	354.454	1.616	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1	ZINC000930957808	1003715141	/nfs/dbraw/zinc/71/51/41/1003715141.db2.gz	GCVAQBVHCMCYOG-DLBZAZTESA-N	1	0	358.417	1.447	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@H](C)C(=O)N(CC)CC)c1	ZINC001111002125	1003758037	/nfs/dbraw/zinc/75/80/37/1003758037.db2.gz	WCMQPJLBSUCXOM-AXUOBQJMSA-N	1	0	368.481	1.655	20	30		FDEDRO
C#CC1(O)CC[NH+](CCNC(=O)NC(C)(C)COCc2ccccc2)CC1	ZINC000931149005	1003924996	/nfs/dbraw/zinc/92/49/96/1003924996.db2.gz	CBSLNXANMXUXNH-UHFFFAOYSA-N	1	0	373.497	1.741	20	30		FDEDRO
C#CC1(O)CC[NH+](C[C@@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)CC1	ZINC000931153429	1003927794	/nfs/dbraw/zinc/92/77/94/1003927794.db2.gz	GQXQAQZOCBUVHX-QFBILLFUSA-N	1	0	364.486	1.863	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2cc(Cl)cc(C(N)=O)c2OC)CC1	ZINC000931337698	1004068673	/nfs/dbraw/zinc/06/86/73/1004068673.db2.gz	JRYOXMZPGNTNGQ-UHFFFAOYSA-N	1	0	364.833	1.667	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3c[nH]c4ncccc34)C2)CC1	ZINC000931367216	1004089089	/nfs/dbraw/zinc/08/90/89/1004089089.db2.gz	BIORJGBLMLCYFN-QGZVFWFLSA-N	1	0	365.481	1.520	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Nc1ccc(F)c(N2CCCNC2=O)c1	ZINC000931431340	1004151928	/nfs/dbraw/zinc/15/19/28/1004151928.db2.gz	WVJLTOKDGNXAQS-UHFFFAOYSA-N	1	0	361.421	1.822	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)CN2CCC(O)(C[NH+](C)C)CC2)c1C	ZINC000931483447	1004200463	/nfs/dbraw/zinc/20/04/63/1004200463.db2.gz	ABGRQARQGRDMDH-UHFFFAOYSA-N	1	0	372.513	1.939	20	30		FDEDRO
CCC[NH+]1CCC(N(C)C(=O)C(=O)NCc2cc(C#N)ccc2F)CC1	ZINC000931591356	1004293990	/nfs/dbraw/zinc/29/39/90/1004293990.db2.gz	BRHIXXQBRGHXKK-UHFFFAOYSA-N	1	0	360.433	1.646	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H](c1ccccn1)C1CC1)C1CC[NH+](C)CC1	ZINC000931931279	1004617763	/nfs/dbraw/zinc/61/77/63/1004617763.db2.gz	VOAWDGWTGHUHGN-GOSISDBHSA-N	1	0	354.454	1.205	20	30		FDEDRO
C[C@]1(C2CC[NH+](C[C@@H](O)COc3ccc(CC#N)cc3)CC2)COC(=O)N1	ZINC000932088537	1004762914	/nfs/dbraw/zinc/76/29/14/1004762914.db2.gz	FHHRQIOSWPAHAJ-YLJYHZDGSA-N	1	0	373.453	1.703	20	30		FDEDRO
C[C@@]1(C2CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)COC(=O)N1	ZINC000932090240	1004764374	/nfs/dbraw/zinc/76/43/74/1004764374.db2.gz	WTRAUTWHBINIOH-LPHOPBHVSA-N	1	0	359.426	1.508	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCC(c3ccn(C)n3)CC2)CC1	ZINC000932143745	1004792591	/nfs/dbraw/zinc/79/25/91/1004792591.db2.gz	IALYOCGJPQSYLW-LJQANCHMSA-N	1	0	372.517	1.292	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(F)F)CC1	ZINC000932177743	1004810414	/nfs/dbraw/zinc/81/04/14/1004810414.db2.gz	CUMMPXVQHGBGKR-NSHDSACASA-N	1	0	360.405	1.639	20	30		FDEDRO
C=CC1(CC(=O)N[C@H]2CC[N@@H+](CCOC)C2)CN(C(=O)OC(C)(C)C)C1	ZINC000932264344	1004858929	/nfs/dbraw/zinc/85/89/29/1004858929.db2.gz	WYGAOOPJMQMERH-HNNXBMFYSA-N	1	0	367.490	1.637	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(C)c(C#N)c2)C[C@@H]1C	ZINC000932475924	1004978776	/nfs/dbraw/zinc/97/87/76/1004978776.db2.gz	SLLKMUIIGSTDNQ-MAUKXSAKSA-N	1	0	356.470	1.814	20	30		FDEDRO
C#CCNC(=O)C[NH+]1CCC2(CO[C@@H](CNC(=O)OC(C)(C)C)C2)CC1	ZINC000932674898	1005086021	/nfs/dbraw/zinc/08/60/21/1005086021.db2.gz	HQOULHUWDZZBNZ-OAHLLOKOSA-N	1	0	365.474	1.132	20	30		FDEDRO
CC(C)(C)OC(=O)NCC[C@H]1CC[N@H+](CC(=O)NC2(C#N)CCC2)C1	ZINC000932695699	1005104942	/nfs/dbraw/zinc/10/49/42/1005104942.db2.gz	AWPLKQDFXXLWJG-AWEZNQCLSA-N	1	0	350.463	1.786	20	30		FDEDRO
C#CCNC(=O)CC[N@@H+]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000932710928	1005115129	/nfs/dbraw/zinc/11/51/29/1005115129.db2.gz	VZGACBLFXPRERU-UHFFFAOYSA-N	1	0	365.474	1.228	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@@H](CC#N)C(F)(F)F	ZINC000932896046	1005234346	/nfs/dbraw/zinc/23/43/46/1005234346.db2.gz	WZNCVSZHZBJRAT-ZDUSSCGKSA-N	1	0	350.385	1.831	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@@H](CC#N)C(F)(F)F)C1	ZINC000932914530	1005242107	/nfs/dbraw/zinc/24/21/07/1005242107.db2.gz	CJTZNMBUXZITGF-STQMWFEESA-N	1	0	350.385	1.973	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)CCC1	ZINC000933301383	1005535359	/nfs/dbraw/zinc/53/53/59/1005535359.db2.gz	FISDDPAZJOURGS-MRXNPFEDSA-N	1	0	352.500	1.480	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccc(Br)[nH]c2=O)CC1	ZINC000933350507	1005544370	/nfs/dbraw/zinc/54/43/70/1005544370.db2.gz	BFMLUVNJWNJMAQ-UHFFFAOYSA-N	1	0	352.232	1.767	20	30		FDEDRO
C#CCOc1cccc(Cl)c1C[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1	ZINC000778171175	1005559188	/nfs/dbraw/zinc/55/91/88/1005559188.db2.gz	BZJIAUYGKXGYAY-CYBMUJFWSA-N	1	0	356.875	1.723	20	30		FDEDRO
Cc1noc(C[C@@H]2CCC[N@H+](C[C@H](O)COc3ccccc3C#N)C2)n1	ZINC000933565813	1005580750	/nfs/dbraw/zinc/58/07/50/1005580750.db2.gz	QSRHBPSNYGFITD-RDJZCZTQSA-N	1	0	356.426	1.944	20	30		FDEDRO
C[NH+](C)CCN1CCN(C(=O)Nc2ccc(C#N)cc2C2CC2)CC1=O	ZINC000933856264	1005648372	/nfs/dbraw/zinc/64/83/72/1005648372.db2.gz	UYICPEQMAORAPV-UHFFFAOYSA-N	1	0	355.442	1.673	20	30		FDEDRO
Cn1cc([C@H]2CSCCC[N@@H+]2C[C@H](O)CC2(C#N)CCOCC2)cn1	ZINC000933974847	1005669859	/nfs/dbraw/zinc/66/98/59/1005669859.db2.gz	XHBLTWAMAUTTEG-IAGOWNOFSA-N	1	0	364.515	1.971	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN(C)CC[N@H+](C)CC1	ZINC000933994814	1005675145	/nfs/dbraw/zinc/67/51/45/1005675145.db2.gz	WUSJFWKTHUUWOI-AWEZNQCLSA-N	1	0	363.893	1.718	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@@H]4[C@H]3CCCN4CCO)C2=O)cc1	ZINC000934265305	1005725631	/nfs/dbraw/zinc/72/56/31/1005725631.db2.gz	KWTUBFWPUDRFCK-AQNXPRMDSA-N	1	0	368.481	1.585	20	30		FDEDRO
C#Cc1ccc(NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)cc1	ZINC000934928795	1005817697	/nfs/dbraw/zinc/81/76/97/1005817697.db2.gz	UWYCAEKUSDBZMV-UHFFFAOYSA-N	1	0	356.470	1.586	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CS(=O)(=O)N(CC)CC)C2	ZINC001111084562	1005820561	/nfs/dbraw/zinc/82/05/61/1005820561.db2.gz	JDFPMJYHYAVUHE-OAGGEKHMSA-N	1	0	357.520	1.346	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2	ZINC001111097158	1005924066	/nfs/dbraw/zinc/92/40/66/1005924066.db2.gz	NEBKFNYPQGVFMM-MLHJIOFPSA-N	1	0	362.518	1.275	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2	ZINC001111099428	1005930469	/nfs/dbraw/zinc/93/04/69/1005930469.db2.gz	GMIDPTXILRQOIJ-HPBDAGMYSA-N	1	0	362.518	1.131	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncc(N3CCCC3)n1)C2	ZINC001111103938	1005998027	/nfs/dbraw/zinc/99/80/27/1005998027.db2.gz	IVVYPKFBPZGSSW-NUJGCVRESA-N	1	0	371.485	1.615	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCOc3ccccc3)=[NH+]C[C@@H]2C1	ZINC000089120046	1006010344	/nfs/dbraw/zinc/01/03/44/1006010344.db2.gz	VZBNXJTXOAJISG-OAHLLOKOSA-N	1	0	360.458	1.946	20	30		FDEDRO
CCN(CC)C(=O)C[NH+]1CCC(NC(=O)C2(C#N)CCSCC2)CC1	ZINC000935951365	1006167468	/nfs/dbraw/zinc/16/74/68/1006167468.db2.gz	VQCPAMMISYQYBU-UHFFFAOYSA-N	1	0	366.531	1.472	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccnn1)C2	ZINC001111175223	1006626692	/nfs/dbraw/zinc/62/66/92/1006626692.db2.gz	UMYABAMDWYJDKR-IDCNUPLLSA-N	1	0	371.485	1.625	20	30		FDEDRO
C=C(C)CN(CC)C(=O)Cn1cc(-c2cccc(NC(=O)C[NH2+]C)c2)nn1	ZINC000640792891	1006648626	/nfs/dbraw/zinc/64/86/26/1006648626.db2.gz	XMMRWZLGJFWISR-UHFFFAOYSA-N	1	0	370.457	1.528	20	30		FDEDRO
C[C@H](O)C[C@@H]1CCC[N@@H+]1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O	ZINC000155442385	1006681939	/nfs/dbraw/zinc/68/19/39/1006681939.db2.gz	SYYWKKGLNKRSSC-YOEHRIQHSA-N	1	0	356.426	1.515	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCCCN(C(=O)C#CC2CC2)C3)CC[N@@H+]1C	ZINC000956549371	1006755172	/nfs/dbraw/zinc/75/51/72/1006755172.db2.gz	SBCKXGXIVLDPRJ-SFGWALBWSA-N	1	0	371.525	1.971	20	30		FDEDRO
C=CCn1cccc1C(=O)N(C)C1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000954547935	1006857487	/nfs/dbraw/zinc/85/74/87/1006857487.db2.gz	JGHVZPNBEWJMLX-DLBZAZTESA-N	1	0	358.486	1.687	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)COC)C2	ZINC001111208574	1006885367	/nfs/dbraw/zinc/88/53/67/1006885367.db2.gz	OPUAFYQTYDQRAB-TVFCKZIOSA-N	1	0	365.518	1.805	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1	ZINC000954771635	1007013867	/nfs/dbraw/zinc/01/38/67/1007013867.db2.gz	BNYVSGKGODVKEK-SJORKVTESA-N	1	0	361.486	1.123	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1	ZINC000954772419	1007014916	/nfs/dbraw/zinc/01/49/16/1007014916.db2.gz	OXXBCYNNNHMBEE-KURKYZTESA-N	1	0	363.502	1.511	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nccn3cc(C)nc13)C2	ZINC001111242091	1007046861	/nfs/dbraw/zinc/04/68/61/1007046861.db2.gz	PARSXOFHTFDMSF-OAGGEKHMSA-N	1	0	355.442	1.575	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000954883293	1007076939	/nfs/dbraw/zinc/07/69/39/1007076939.db2.gz	LRJLPEQFYIFZJD-MSOLQXFVSA-N	1	0	368.437	1.598	20	30		FDEDRO
C=CCC[C@H](CO)[NH2+]Cc1c[nH]nc1CN1C(=O)c2ccccc2C1=O	ZINC000641760316	1007134628	/nfs/dbraw/zinc/13/46/28/1007134628.db2.gz	PIXQDGFPATUNCS-CQSZACIVSA-N	1	0	354.410	1.623	20	30		FDEDRO
C=CC[C@H]1CCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1	ZINC000641841806	1007190823	/nfs/dbraw/zinc/19/08/23/1007190823.db2.gz	XKEVCUVPXDUYMH-ROUUACIJSA-N	1	0	350.507	1.391	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C#N)c[nH]2)C1	ZINC001007263298	1007390279	/nfs/dbraw/zinc/39/02/79/1007390279.db2.gz	GVZVZTOWAIDFMZ-VPWXQRGCSA-N	1	0	369.469	1.482	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000188129402	1007708703	/nfs/dbraw/zinc/70/87/03/1007708703.db2.gz	GCULDSZIOVTPJE-UHFFFAOYSA-N	1	0	370.453	1.471	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1	ZINC000956133414	1007909180	/nfs/dbraw/zinc/90/91/80/1007909180.db2.gz	SJXDLOLNPRPMEU-AYOQOUSVSA-N	1	0	353.466	1.729	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2CCC)CC1	ZINC000956205297	1007940735	/nfs/dbraw/zinc/94/07/35/1007940735.db2.gz	JGSGCGSJTMTFQR-CEXWTWQISA-N	1	0	359.514	1.875	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1	ZINC000956379238	1008063245	/nfs/dbraw/zinc/06/32/45/1008063245.db2.gz	SYOOWUSQVFJXSE-ULQDDVLXSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000956386003	1008077151	/nfs/dbraw/zinc/07/71/51/1008077151.db2.gz	YKTOLRLNMMWZKJ-IKGGRYGDSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1	ZINC000956500911	1008183660	/nfs/dbraw/zinc/18/36/60/1008183660.db2.gz	KUWHQUBBHKWSID-OAGGEKHMSA-N	1	0	351.491	1.415	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC	ZINC000646292191	1008632129	/nfs/dbraw/zinc/63/21/29/1008632129.db2.gz	PNKOWITWNHFHOM-MRXNPFEDSA-N	1	0	374.485	1.733	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C3(C)CC(=C)C3)C[C@H]2C)CC1	ZINC000958667025	1008930212	/nfs/dbraw/zinc/93/02/12/1008930212.db2.gz	FZOSDDVAJSRMTK-SJLPKXTDSA-N	1	0	357.498	1.651	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3CCC[N@H+]3CCC)C2)c1	ZINC000958715208	1008986339	/nfs/dbraw/zinc/98/63/39/1008986339.db2.gz	QMBCKIOPSVRSNN-ATZDWAIDSA-N	1	0	368.481	1.514	20	30		FDEDRO
CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1cc(OC)ccc1OC	ZINC000959854238	1009013780	/nfs/dbraw/zinc/01/37/80/1009013780.db2.gz	IIQVKCXAHIKJMO-UNWJWSRZSA-N	1	0	354.450	1.877	20	30		FDEDRO
CCc1noc(C2CCC([NH2+]CCNC(=O)C3N=CC=CC3=O)CC2)n1	ZINC000779414267	1009104463	/nfs/dbraw/zinc/10/44/63/1009104463.db2.gz	WSKUAYAUWFYVPJ-WUKNDPDISA-N	1	0	359.430	1.774	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000950386393	1009114983	/nfs/dbraw/zinc/11/49/83/1009114983.db2.gz	QOOUUZHKSFDVNQ-QBPKDAKJSA-N	1	0	358.486	1.591	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2C[C@H]2C2CCC2)CC1	ZINC000950432802	1009167443	/nfs/dbraw/zinc/16/74/43/1009167443.db2.gz	ZTODCKFLXKGRKH-CEXWTWQISA-N	1	0	357.498	1.485	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(OC)nc3)C[C@H]21	ZINC000959944110	1009174127	/nfs/dbraw/zinc/17/41/27/1009174127.db2.gz	GRNUMOWJRQCOCV-GJGATLCTSA-N	1	0	357.454	1.618	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(Cc4cc(C#N)ccc4F)C[C@H]32)CC[N@@H+]1C	ZINC000959972974	1009235122	/nfs/dbraw/zinc/23/51/22/1009235122.db2.gz	KYMSZXPNNUFEDJ-FZWVUDROSA-N	1	0	356.445	1.584	20	30		FDEDRO
C#CCOCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCOC[C@H]1CCCO1)C2	ZINC001111746125	1009335822	/nfs/dbraw/zinc/33/58/22/1009335822.db2.gz	JFOFZAUSZNORMU-NSHGMRRFSA-N	1	0	364.486	1.193	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCc2ccccc2[N+](=O)[O-])CC1	ZINC000303768734	1009572243	/nfs/dbraw/zinc/57/22/43/1009572243.db2.gz	APSFRGDGBQWEEL-UHFFFAOYSA-N	1	0	363.418	1.962	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](CCCC)C(N)=O	ZINC001111319861	1009580119	/nfs/dbraw/zinc/58/01/19/1009580119.db2.gz	JOFPNSZOPQQEQB-ZRNYENFQSA-N	1	0	367.493	1.976	20	30		FDEDRO
N#Cc1cccnc1NC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1	ZINC001111322652	1009591346	/nfs/dbraw/zinc/59/13/46/1009591346.db2.gz	UPILPJGYTVKWQV-KURKYZTESA-N	1	0	369.469	1.513	20	30		FDEDRO
N#Cc1cnc(NC2CC[NH+](CCNC(=O)[C@@H]3C[C@H]3C3CC3)CC2)cn1	ZINC001111323454	1009610359	/nfs/dbraw/zinc/61/03/59/1009610359.db2.gz	CNBCELQECDCBIM-DLBZAZTESA-N	1	0	354.458	1.387	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH+]1CCC(Nc2ncccn2)CC1	ZINC001111323596	1009613129	/nfs/dbraw/zinc/61/31/29/1009613129.db2.gz	LAINYUCWVXEVSN-SJORKVTESA-N	1	0	359.474	1.450	20	30		FDEDRO
N#Cc1cnccc1NC1CC[NH+](CCNC(=O)[C@]23C[C@H]2CCC3)CC1	ZINC001111331078	1009677792	/nfs/dbraw/zinc/67/77/92/1009677792.db2.gz	FAESKUCOHOISPM-OXQOHEQNSA-N	1	0	353.470	1.558	20	30		FDEDRO
CN(CCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)c1cc[nH+]cc1	ZINC000779531750	1009737943	/nfs/dbraw/zinc/73/79/43/1009737943.db2.gz	XXVJGNZZRWEUQL-MRXNPFEDSA-N	1	0	373.457	1.879	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CN(C(C)=O)CCO1)C2	ZINC001111336989	1009995142	/nfs/dbraw/zinc/99/51/42/1009995142.db2.gz	GGWHXQFZEZSVFT-YRXWBPOGSA-N	1	0	365.518	1.926	20	30		FDEDRO
N#Cc1cnccc1NC1CC[NH+](CCNC(=O)C[C@@H]2C[C@H]2C2CC2)CC1	ZINC001111340141	1010181233	/nfs/dbraw/zinc/18/12/33/1010181233.db2.gz	QZDPYEWATIPMSR-LPHOPBHVSA-N	1	0	367.497	1.804	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCSC)C1	ZINC001111581534	1010294873	/nfs/dbraw/zinc/29/48/73/1010294873.db2.gz	ZIJWZOVOOUKZGQ-YJBOKZPZSA-N	1	0	366.531	1.472	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(CC)[C@@H]2c2cccnc2)CC1	ZINC000648279720	1010352486	/nfs/dbraw/zinc/35/24/86/1010352486.db2.gz	SRXVSUFIJWJMBY-PKOBYXMFSA-N	1	0	356.470	1.758	20	30		FDEDRO
C[C@H]1CNC(NN=C2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)=[NH+]1	ZINC000779793889	1011007653	/nfs/dbraw/zinc/00/76/53/1011007653.db2.gz	BMWGTAAVAHUERR-GXTWGEPZSA-N	1	0	353.426	1.909	20	30		FDEDRO
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3OCC#N)cn2)CC1	ZINC000194099900	1011129346	/nfs/dbraw/zinc/12/93/46/1011129346.db2.gz	YMSBZFYPQHZGNH-UHFFFAOYSA-N	1	0	351.410	1.988	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(C#N)cc1	ZINC000960862572	1011567993	/nfs/dbraw/zinc/56/79/93/1011567993.db2.gz	AUTNPUXFZKJYTA-QRVBRYPASA-N	1	0	368.481	1.705	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C(C)C)[C@@H](O)C2)CC1	ZINC000963074375	1011810927	/nfs/dbraw/zinc/81/09/27/1011810927.db2.gz	IDEBMLRGEMUHDH-KURKYZTESA-N	1	0	363.502	1.294	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccn(C)c(=O)c2)cc1	ZINC001095854322	1011892505	/nfs/dbraw/zinc/89/25/05/1011892505.db2.gz	XDHOKJBFZVOFNA-AABGKKOBSA-N	1	0	361.445	1.902	20	30		FDEDRO
C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC2)C1	ZINC000961410759	1012346092	/nfs/dbraw/zinc/34/60/92/1012346092.db2.gz	IIFWDPVRYNHQSW-FGTMMUONSA-N	1	0	363.502	1.546	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(c3cnc(C#N)cn3)CC2)CC[N@@H+]1C	ZINC001066797407	1012384309	/nfs/dbraw/zinc/38/43/09/1012384309.db2.gz	CSZYDDHXDNOZCO-BHYGNILZSA-N	1	0	356.474	1.554	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC(N2CC[C@@H](O)C2)C1)C(C)C	ZINC000650667821	1012537344	/nfs/dbraw/zinc/53/73/44/1012537344.db2.gz	WKAOGLJZDCHJOL-QZTJIDSGSA-N	1	0	350.507	1.145	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC3(C[C@@H]3NC(=O)c3c[nH]c(C#N)c3)CC2)CC[N@@H+]1C	ZINC000963663970	1012541057	/nfs/dbraw/zinc/54/10/57/1012541057.db2.gz	ISTOGQAPPIPITP-XYPHTWIQSA-N	1	0	369.469	1.337	20	30		FDEDRO
CN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CCC([NH2+]Cc2ccccc2C#N)CC1	ZINC000963912605	1012947924	/nfs/dbraw/zinc/94/79/24/1012947924.db2.gz	NUSOAVWCJQNRTE-HIEASXQVSA-N	1	0	354.454	1.539	20	30		FDEDRO
CN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CCC([NH2+]Cc2cccc(C#N)c2)CC1	ZINC000963920023	1012958570	/nfs/dbraw/zinc/95/85/70/1012958570.db2.gz	ISFRQGPLCRCRLY-HIEASXQVSA-N	1	0	354.454	1.539	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)CC[N@@H+]1C	ZINC000953977662	1013012246	/nfs/dbraw/zinc/01/22/46/1013012246.db2.gz	XHWUAUIVOZTUKM-CZUORRHYSA-N	1	0	357.458	1.290	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)C2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)CC[N@@H+]1C	ZINC000953979369	1013020395	/nfs/dbraw/zinc/02/03/95/1013020395.db2.gz	DBOJFCWQTBQHMR-ZWKOTPCHSA-N	1	0	371.485	1.680	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000192377905	178112378	/nfs/dbraw/zinc/11/23/78/178112378.db2.gz	UJPIGKMYUGRWHX-SFHVURJKSA-N	1	0	369.469	1.300	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(C)(C)O)CCN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000192803599	178133397	/nfs/dbraw/zinc/13/33/97/178133397.db2.gz	RIAGRABMCKFUGZ-VQIMIIECSA-N	1	0	370.497	1.831	20	30		FDEDRO
CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000193059036	178145428	/nfs/dbraw/zinc/14/54/28/178145428.db2.gz	CMAZRBZKPKZBBD-AWEZNQCLSA-N	1	0	359.474	1.853	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000193397364	178161667	/nfs/dbraw/zinc/16/16/67/178161667.db2.gz	PUGITHGVLINIJY-RNCFNFMXSA-N	1	0	358.261	1.597	20	30		FDEDRO
CC[NH+]1CCN(CCNS(=O)(=O)c2ccc(Cl)cc2C#N)CC1	ZINC000193990591	178192218	/nfs/dbraw/zinc/19/22/18/178192218.db2.gz	ZIFHZAHYCLLNRU-UHFFFAOYSA-N	1	0	356.879	1.127	20	30		FDEDRO
C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1	ZINC000237206424	178302992	/nfs/dbraw/zinc/30/29/92/178302992.db2.gz	DGFOLEHMSICHCJ-NSHDSACASA-N	1	0	372.288	1.941	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@@H](N4CCOCC4)C3)C2=O)cc1	ZINC000245531057	178363732	/nfs/dbraw/zinc/36/37/32/178363732.db2.gz	SYDBIPGUECCQSD-MOPGFXCFSA-N	1	0	354.454	1.460	20	30		FDEDRO
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1	ZINC000245536656	178364730	/nfs/dbraw/zinc/36/47/30/178364730.db2.gz	XPWKNLMALZLSFC-VQTJNVASSA-N	1	0	370.497	1.874	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NCCC[NH+]2CCCC2)CCN1Cc1ccccc1	ZINC000512679116	538979053	/nfs/dbraw/zinc/97/90/53/538979053.db2.gz	WEWWMQYGJMEXAF-LJQANCHMSA-N	1	0	355.486	1.892	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CCc1ccc(C#N)cc1	ZINC000513440397	538996016	/nfs/dbraw/zinc/99/60/16/538996016.db2.gz	RBPJYFUBDNDTRN-GOSISDBHSA-N	1	0	356.470	1.550	20	30		FDEDRO
CC1(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC[NH2+]CC1	ZINC000519119945	539467134	/nfs/dbraw/zinc/46/71/34/539467134.db2.gz	AWPDJUYBFHDDKW-KRWDZBQOSA-N	1	0	369.469	1.348	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNc2ncc([N+](=O)[O-])cc2C#N)CC1	ZINC000521402932	539517201	/nfs/dbraw/zinc/51/72/01/539517201.db2.gz	VPAYNPCRPOZATA-UHFFFAOYSA-N	1	0	353.386	1.620	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1	ZINC000522042126	539536419	/nfs/dbraw/zinc/53/64/19/539536419.db2.gz	JCFXRIPVYUTFOW-AWEZNQCLSA-N	1	0	360.458	1.386	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)ccc1F	ZINC000264299825	179072377	/nfs/dbraw/zinc/07/23/77/179072377.db2.gz	DEUIVDLSCXWVCC-UHFFFAOYSA-N	1	0	374.416	1.397	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1	ZINC000264276407	179066019	/nfs/dbraw/zinc/06/60/19/179066019.db2.gz	INZDOSDGMOGERS-SFHVURJKSA-N	1	0	370.501	1.905	20	30		FDEDRO
N#Cc1ccc(N2C(=O)C[C@H](N3CC[C@H]([NH+]4CCCCC4)C3)C2=O)cc1	ZINC000264560795	179136201	/nfs/dbraw/zinc/13/62/01/179136201.db2.gz	FMZTVQFVMXMEKO-ROUUACIJSA-N	1	0	352.438	1.750	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000264867076	179225329	/nfs/dbraw/zinc/22/53/29/179225329.db2.gz	QMVJJFFUMKNQSM-QGZVFWFLSA-N	1	0	356.474	1.659	20	30		FDEDRO
C[C@@H]1Oc2ccccc2N(CCC(=O)NC2(C#N)CC[NH+](C)CC2)C1=O	ZINC000524686278	539657129	/nfs/dbraw/zinc/65/71/29/539657129.db2.gz	IXIPGLCEYZUTCP-AWEZNQCLSA-N	1	0	356.426	1.295	20	30		FDEDRO
C=C(C)COc1cc(C[NH2+]C[C@@](C)(O)CN2CCOCC2)ccc1OC	ZINC000525181696	539683683	/nfs/dbraw/zinc/68/36/83/539683683.db2.gz	IVEXRAYLGQRUJF-HXUWFJFHSA-N	1	0	364.486	1.823	20	30		FDEDRO
Cn1nccc1[C@H]1CCC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000528356360	539752715	/nfs/dbraw/zinc/75/27/15/539752715.db2.gz	QWAPKBIVCMVEEB-INIZCTEOSA-N	1	0	362.433	1.899	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)CCCC(=O)Nc1ccccc1C#N	ZINC000269297963	180267581	/nfs/dbraw/zinc/26/75/81/180267581.db2.gz	SJDSJYDLVSMPHM-MRXNPFEDSA-N	1	0	357.458	1.029	20	30		FDEDRO
CN1CCN(C(=O)CCNC(=O)NC2(c3cccc(C#N)c3)CC2)CC1	ZINC000269717614	180369419	/nfs/dbraw/zinc/36/94/19/180369419.db2.gz	SJWVGVSXNDKJGW-UHFFFAOYSA-N	1	0	355.442	1.011	20	30		FDEDRO
COc1ccc(CN2CC[C@H]2C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1	ZINC000530130341	539889464	/nfs/dbraw/zinc/88/94/64/539889464.db2.gz	QCRHTYSIWZDFJH-AZUAARDMSA-N	1	0	364.449	1.957	20	30		FDEDRO
CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2C#N)[C@H]1n1cccn1	ZINC000530233361	539916458	/nfs/dbraw/zinc/91/64/58/539916458.db2.gz	ICUIVDHSAKOZLF-RNIPGJKVSA-N	1	0	356.426	1.503	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCN(c2ncccc2F)C1	ZINC000530230938	539915417	/nfs/dbraw/zinc/91/54/17/539915417.db2.gz	DXCJPMFADNYYJR-HZPDHXFCSA-N	1	0	356.401	1.701	20	30		FDEDRO
COCCn1cc2c(n1)[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)CCC2	ZINC000530232109	539915715	/nfs/dbraw/zinc/91/57/15/539915715.db2.gz	NFNHUYYDLOAJEE-MSOLQXFVSA-N	1	0	370.453	1.808	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)CC2)c1C#N	ZINC000530408517	539963815	/nfs/dbraw/zinc/96/38/15/539963815.db2.gz	ZXCYEDGMOWDBFY-DZGCQCFKSA-N	1	0	371.489	1.057	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)cc1OC	ZINC000268113549	674084415	/nfs/dbraw/zinc/08/44/15/674084415.db2.gz	ZXRMLZJPNGQHDY-YPMHNXCESA-N	1	0	370.475	1.148	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1	ZINC000268274875	674086554	/nfs/dbraw/zinc/08/65/54/674086554.db2.gz	VWRVCZQEEDIUOT-CXAGYDPISA-N	1	0	363.483	1.363	20	30		FDEDRO
COCCCCS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000274659995	181141311	/nfs/dbraw/zinc/14/13/11/181141311.db2.gz	VGVLDWMHEBHFBK-UHFFFAOYSA-N	1	0	353.488	1.678	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(C(=O)OC)cs2)CC1	ZINC000533204205	540214943	/nfs/dbraw/zinc/21/49/43/540214943.db2.gz	BCAZEKZQVZLMNB-UHFFFAOYSA-N	1	0	365.455	1.630	20	30		FDEDRO
CC(C)[N@H+](C)CCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000268732493	674096987	/nfs/dbraw/zinc/09/69/87/674096987.db2.gz	ANOOJEOTVZVAQH-CQSZACIVSA-N	1	0	366.487	1.072	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cc[nH+]c(N(C)C)c2)c1	ZINC000481062623	538871744	/nfs/dbraw/zinc/87/17/44/538871744.db2.gz	QZEQZHAJNCTJTR-UHFFFAOYSA-N	1	0	360.439	1.864	20	30		FDEDRO
N#Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@H](Cn4ccnn4)C3)C2=O)cc1	ZINC000533549406	540262217	/nfs/dbraw/zinc/26/22/17/540262217.db2.gz	CGLMNPULXUUMML-DOTOQJQBSA-N	1	0	364.409	1.194	20	30		FDEDRO
COc1ccc(NC(=O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)c(OC)c1	ZINC000534097245	540323075	/nfs/dbraw/zinc/32/30/75/540323075.db2.gz	UQJAWSVWKUFFQO-UHFFFAOYSA-N	1	0	372.429	1.384	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(Cc3cccc(C(=O)OC)c3C#N)C2)CC1	ZINC000534471298	540371740	/nfs/dbraw/zinc/37/17/40/540371740.db2.gz	DUXVOGAKSXITRI-KRWDZBQOSA-N	1	0	356.470	1.557	20	30		FDEDRO
O=C(NCC#Cc1ccccc1)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1	ZINC000534848562	540419977	/nfs/dbraw/zinc/41/99/77/540419977.db2.gz	MXHSVLITVXEPGT-LEWJYISDSA-N	1	0	363.461	1.973	20	30		FDEDRO
CC(C)CN(CC(F)(F)F)C(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000535548549	540482134	/nfs/dbraw/zinc/48/21/34/540482134.db2.gz	NIPSMLQEFZFIJQ-UHFFFAOYSA-N	1	0	374.411	1.775	20	30		FDEDRO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)[C@@H]3CCNC3=O)sc2C1	ZINC000535379921	540469428	/nfs/dbraw/zinc/46/94/28/540469428.db2.gz	LPZBNLLQARUMJU-SMDDNHRTSA-N	1	0	360.483	1.893	20	30		FDEDRO
CC[C@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1ccccc1OCC(=O)N(C)C	ZINC000537051566	540678968	/nfs/dbraw/zinc/67/89/68/540678968.db2.gz	ZPSKVNPATPSECI-RDJZCZTQSA-N	1	0	374.485	1.955	20	30		FDEDRO
COC[C@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1	ZINC000537249002	540706179	/nfs/dbraw/zinc/70/61/79/540706179.db2.gz	NYEFEPQEFJXAFQ-JKSUJKDBSA-N	1	0	362.499	1.425	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](CN1CCOCC1)c1ccc(C)cc1	ZINC000538141487	540816227	/nfs/dbraw/zinc/81/62/27/540816227.db2.gz	PAJTZPYLVLJIHA-AZUAARDMSA-N	1	0	372.513	1.966	20	30		FDEDRO
C=CC[C@@H](CO)CNC(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000538184899	540822470	/nfs/dbraw/zinc/82/24/70/540822470.db2.gz	NTZRQYKFNZRFLN-HXUWFJFHSA-N	1	0	374.529	1.808	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000538252771	540832352	/nfs/dbraw/zinc/83/23/52/540832352.db2.gz	NJVHPJYRNZZAIK-IAGOWNOFSA-N	1	0	358.486	1.744	20	30		FDEDRO
C[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(C#N)c(F)c1	ZINC000538508089	540864322	/nfs/dbraw/zinc/86/43/22/540864322.db2.gz	WHBCTFCYVYDGJA-LBPRGKRZSA-N	1	0	354.385	1.763	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC1CC[NH+](C2CCCC2)CC1	ZINC000540971620	541127537	/nfs/dbraw/zinc/12/75/37/541127537.db2.gz	WYSZXRMISRMPCW-UHFFFAOYSA-N	1	0	373.505	1.845	20	30		FDEDRO
C[NH+]1CCN(CCCCNS(=O)(=O)c2ccc(C#N)cc2Cl)CC1	ZINC000540938435	541119218	/nfs/dbraw/zinc/11/92/18/541119218.db2.gz	HETAJPDCKICYKK-UHFFFAOYSA-N	1	0	370.906	1.518	20	30		FDEDRO
CCc1ccc([C@@H](CO)[NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1	ZINC000541982859	541312379	/nfs/dbraw/zinc/31/23/79/541312379.db2.gz	BJMDDLIJQJWECH-WOJBJXKFSA-N	1	0	372.513	1.564	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1	ZINC000269265083	674108452	/nfs/dbraw/zinc/10/84/52/674108452.db2.gz	UJADPTALJXBHDN-ISORKSKUSA-N	1	0	364.471	1.565	20	30		FDEDRO
Cc1cc(N2C[C@H](C(=O)NC3(C#N)CC[NH+](C)CC3)CC2=O)ccc1F	ZINC000542799662	541473700	/nfs/dbraw/zinc/47/37/00/541473700.db2.gz	COFAPDUDSKWKGN-CQSZACIVSA-N	1	0	358.417	1.591	20	30		FDEDRO
Cc1cc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)nn1-c1cccc(C#N)c1	ZINC000543738738	541649747	/nfs/dbraw/zinc/64/97/47/541649747.db2.gz	UTVAVAZBSRWMLD-KRWDZBQOSA-N	1	0	352.442	1.028	20	30		FDEDRO
Cc1cc(S(=O)(=O)N[C@H](C)CCN2CC[NH+](C)CC2)ccc1C#N	ZINC000277779074	181847816	/nfs/dbraw/zinc/84/78/16/181847816.db2.gz	FGLKWDXFWJGSJK-OAHLLOKOSA-N	1	0	350.488	1.171	20	30		FDEDRO
C[N@@H+]1CCN(CCNS(=O)(=O)Cc2cccc(C#N)c2)CC1(C)C	ZINC000282585616	182027871	/nfs/dbraw/zinc/02/78/71/182027871.db2.gz	PSWUHBLTIUALOL-UHFFFAOYSA-N	1	0	350.488	1.004	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1	ZINC000283500942	182199328	/nfs/dbraw/zinc/19/93/28/182199328.db2.gz	ARKFMHDORXZRLS-SFHVURJKSA-N	1	0	354.454	1.651	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1ccc(C#N)cc1	ZINC000283946173	182325666	/nfs/dbraw/zinc/32/56/66/182325666.db2.gz	KGNZAWVYHJKXLV-YJBOKZPZSA-N	1	0	354.454	1.822	20	30		FDEDRO
CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)C1	ZINC000283958333	182330612	/nfs/dbraw/zinc/33/06/12/182330612.db2.gz	KTXVCLZGILXVJH-NVXWUHKLSA-N	1	0	356.470	1.926	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)c1ccc(C#N)cc1	ZINC000284086515	182360439	/nfs/dbraw/zinc/36/04/39/182360439.db2.gz	SHHHCBLQABLEHA-QGTPRVQTSA-N	1	0	354.454	1.678	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccc(C#N)cc1	ZINC000284185702	182392991	/nfs/dbraw/zinc/39/29/91/182392991.db2.gz	ZUTUOTZMKXICHS-KBXCAEBGSA-N	1	0	354.454	1.869	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000545905366	542046460	/nfs/dbraw/zinc/04/64/60/542046460.db2.gz	FNYGSJUCMONUGJ-INIZCTEOSA-N	1	0	363.425	1.925	20	30		FDEDRO
COc1ccc([C@@H](CNC(=O)[C@@H](C)n2cnc(C#N)n2)[NH+]2CCCC2)cc1	ZINC000545967155	542060858	/nfs/dbraw/zinc/06/08/58/542060858.db2.gz	WKVQZSOUOCGPDD-RHSMWYFYSA-N	1	0	368.441	1.673	20	30		FDEDRO
CS(=O)(=O)CCOCC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1	ZINC000286247170	183023889	/nfs/dbraw/zinc/02/38/89/183023889.db2.gz	UIVGOBSHWOIIQM-UHFFFAOYSA-N	1	0	351.472	1.178	20	30		FDEDRO
C[C@@H]1CN(C[C@H]2CCCN2S(=O)(=O)c2ccc(C#N)o2)C[C@@H](C)O1	ZINC000286672036	183125450	/nfs/dbraw/zinc/12/54/50/183125450.db2.gz	PNRISBJATMOYML-MGPQQGTHSA-N	1	0	353.444	1.414	20	30		FDEDRO
C[C@H]1CCN(C(=O)NCCn2cnc(C#N)n2)CC[N@@H+]1Cc1ccccc1	ZINC000286923525	183173727	/nfs/dbraw/zinc/17/37/27/183173727.db2.gz	KQARRHBYLAVVSW-INIZCTEOSA-N	1	0	367.457	1.456	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	ZINC000288117565	183399403	/nfs/dbraw/zinc/39/94/03/183399403.db2.gz	NEPHPKAWQAYWFU-AYHJJNSGSA-N	1	0	354.454	1.648	20	30		FDEDRO
C[C@@H](CNC(=O)c1ccc(Br)cc1C#N)N1CC[NH+](C)CC1	ZINC000294904503	184018442	/nfs/dbraw/zinc/01/84/42/184018442.db2.gz	HUOSHVKSFYMFND-LBPRGKRZSA-N	1	0	365.275	1.686	20	30		FDEDRO
C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2ncc(C#N)cc2[N+](=O)[O-])CC1	ZINC000294786005	184008874	/nfs/dbraw/zinc/00/88/74/184008874.db2.gz	AYIMHSKQMAVAKE-GJZGRUSLSA-N	1	0	358.446	1.856	20	30		FDEDRO
CN(C)C(=O)C1([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CCCCC1	ZINC000295045026	184029818	/nfs/dbraw/zinc/02/98/18/184029818.db2.gz	AYLRMTOJRFKCOT-UHFFFAOYSA-N	1	0	363.483	1.713	20	30		FDEDRO
CC1CN(c2ncc(Br)cc2C#N)CC[N@@H+]1CC(C)(C)O	ZINC000294908789	184019238	/nfs/dbraw/zinc/01/92/38/184019238.db2.gz	HSRJYKGGUZPAPV-LLVKDONJSA-N	1	0	353.264	1.997	20	30		FDEDRO
N#Cc1cc(F)ccc1CS(=O)(=O)N1CC[C@H](C[NH+]2CCCC2)C1	ZINC000295683895	184094945	/nfs/dbraw/zinc/09/49/45/184094945.db2.gz	SDFXSWWGHRLIKE-CQSZACIVSA-N	1	0	351.447	1.945	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1	ZINC000547415672	542335480	/nfs/dbraw/zinc/33/54/80/542335480.db2.gz	DGOGBDUJBQCNNV-UHFFFAOYSA-N	1	0	358.442	1.838	20	30		FDEDRO
Cc1[nH]c(=O)c(C(=O)NC2(C#N)CC[NH+](C)CC2)cc1Br	ZINC000547651568	542401889	/nfs/dbraw/zinc/40/18/89/542401889.db2.gz	YCCXUFUQPZKMOM-UHFFFAOYSA-N	1	0	353.220	1.576	20	30		FDEDRO
C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ncn(C)n1	ZINC000548040478	542536601	/nfs/dbraw/zinc/53/66/01/542536601.db2.gz	ZCMJOPXQKKSCPD-HNNXBMFYSA-N	1	0	367.457	1.665	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCCN(c3ncccn3)C2)cc1	ZINC000548925270	542808638	/nfs/dbraw/zinc/80/86/38/542808638.db2.gz	CEEQIZSTSYYVCE-MSOLQXFVSA-N	1	0	367.453	1.541	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(C#N)cc1	ZINC000548937192	542810772	/nfs/dbraw/zinc/81/07/72/542810772.db2.gz	WMRQPTNRGZEUGW-HNNXBMFYSA-N	1	0	366.421	1.786	20	30		FDEDRO
CC(C)[NH+]1CCN([C@H]2CCN(C(=O)NCC#Cc3cccc(F)c3)C2)CC1	ZINC000549582888	542901435	/nfs/dbraw/zinc/90/14/35/542901435.db2.gz	FTLHBNKMXAJKAG-FQEVSTJZSA-N	1	0	372.488	1.987	20	30		FDEDRO
Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N2CCC(C#N)CC2)CC1	ZINC000550905034	543197046	/nfs/dbraw/zinc/19/70/46/543197046.db2.gz	FGYSPOPVPNXNIE-UHFFFAOYSA-N	1	0	368.481	1.838	20	30		FDEDRO
CNS(=O)(=O)c1cccc([C@@H](C)NCc2cnc3c(C#N)cnn3c2)c1	ZINC000551053260	543225222	/nfs/dbraw/zinc/22/52/22/543225222.db2.gz	NGYXCFNFSOAJTA-GFCCVEGCSA-N	1	0	370.438	1.360	20	30		FDEDRO
N#Cc1cccc(F)c1CC(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1	ZINC000552133013	543423417	/nfs/dbraw/zinc/42/34/17/543423417.db2.gz	TVLXOMCSVQILNA-ZWKOTPCHSA-N	1	0	367.424	1.991	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(C(=O)c2cccc(F)c2C#N)CC1	ZINC000552348682	543454343	/nfs/dbraw/zinc/45/43/43/543454343.db2.gz	UWQDPVWQOTYTBV-UHFFFAOYSA-N	1	0	363.433	1.897	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H](C)CN1CC[NH+](C)CC1	ZINC000173456064	258300031	/nfs/dbraw/zinc/30/00/31/258300031.db2.gz	ONNVDOUNXJBAPA-CQSZACIVSA-N	1	0	350.488	1.029	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)C[C@H](C)O1	ZINC000077538580	172128043	/nfs/dbraw/zinc/12/80/43/172128043.db2.gz	GSZXMELSMMBJCF-BETUJISGSA-N	1	0	362.405	1.251	20	30		FDEDRO
C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1	ZINC000077817008	172138456	/nfs/dbraw/zinc/13/84/56/172138456.db2.gz	HUMHCAYHWKURNI-LLVKDONJSA-N	1	0	352.341	1.166	20	30		FDEDRO
COc1cccc([C@@H](CNc2ccc(S(N)(=O)=O)cc2C#N)[NH+](C)C)c1	ZINC000078873918	172154917	/nfs/dbraw/zinc/15/49/17/172154917.db2.gz	OTPSLFZBUVEDAK-GOSISDBHSA-N	1	0	374.466	1.929	20	30		FDEDRO
C[C@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1	ZINC000091193989	172276801	/nfs/dbraw/zinc/27/68/01/172276801.db2.gz	WVWSMFZSERDOOX-ZDUSSCGKSA-N	1	0	360.462	1.296	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)n1	ZINC000091239054	172280701	/nfs/dbraw/zinc/28/07/01/172280701.db2.gz	XLIVIVOGMAVNQM-AWEZNQCLSA-N	1	0	358.446	1.218	20	30		FDEDRO
CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1	ZINC000091242233	172281390	/nfs/dbraw/zinc/28/13/90/172281390.db2.gz	XQDDHESFEUMACR-CQSZACIVSA-N	1	0	374.489	1.639	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1	ZINC000103449684	172365280	/nfs/dbraw/zinc/36/52/80/172365280.db2.gz	KRPNHPGWWINOHN-INIZCTEOSA-N	1	0	372.469	1.338	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(C(=O)NCc3ccc(C#N)cc3)CC2)c1	ZINC000103856730	172371006	/nfs/dbraw/zinc/37/10/06/172371006.db2.gz	BDMPOSBLEJAGCU-UHFFFAOYSA-N	1	0	351.410	1.994	20	30		FDEDRO
C[N@H+](CCNC(=O)N1CCN(c2ncccc2C#N)CC1)C1CCCC1	ZINC000104806686	172387824	/nfs/dbraw/zinc/38/78/24/172387824.db2.gz	XPNPHMQTRVLBMF-UHFFFAOYSA-N	1	0	356.474	1.659	20	30		FDEDRO
C[C@@H]1CN(CCCCNS(=O)(=O)c2ccc(F)c(C#N)c2)C[C@H](C)O1	ZINC000128926728	173123742	/nfs/dbraw/zinc/12/37/42/173123742.db2.gz	GKUPCDVAROPYTH-OKILXGFUSA-N	1	0	369.462	1.865	20	30		FDEDRO
CCS(=O)(=O)NCCC[N@@H+]1CCCN(c2ccccc2C#N)CC1	ZINC000130787499	173180144	/nfs/dbraw/zinc/18/01/44/173180144.db2.gz	NALOXCKHKHWVME-UHFFFAOYSA-N	1	0	350.488	1.400	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2ccc(C#N)cc2)CC1	ZINC000136788824	173365254	/nfs/dbraw/zinc/36/52/54/173365254.db2.gz	FEHSYMRVWBLWMA-KRWDZBQOSA-N	1	0	355.442	1.006	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C#N)nc1	ZINC000171067272	173857211	/nfs/dbraw/zinc/85/72/11/173857211.db2.gz	CMZWWEDNOXAKFA-UHFFFAOYSA-N	1	0	362.430	1.845	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C[N@@H+]1C1CC1	ZINC000175556628	174012554	/nfs/dbraw/zinc/01/25/54/174012554.db2.gz	GDILLVNLQLAGQX-GOEBONIOSA-N	1	0	354.458	1.410	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1	ZINC000175619669	174015591	/nfs/dbraw/zinc/01/55/91/174015591.db2.gz	IXAQAEVLYULXOW-HNNXBMFYSA-N	1	0	359.474	1.962	20	30		FDEDRO
C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000175965525	174040642	/nfs/dbraw/zinc/04/06/42/174040642.db2.gz	WREYFNZUTMUKGO-QGZVFWFLSA-N	1	0	368.412	1.925	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000176871919	174091469	/nfs/dbraw/zinc/09/14/69/174091469.db2.gz	VKKSKJLYOOKFEW-GOSISDBHSA-N	1	0	370.501	1.763	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCC[NH+]1CCCCC1	ZINC000177319254	174121705	/nfs/dbraw/zinc/12/17/05/174121705.db2.gz	WOAUPDQKFSCNGZ-INIZCTEOSA-N	1	0	371.489	1.444	20	30		FDEDRO
N#Cc1ccccc1S(=O)(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1	ZINC000181475032	174227945	/nfs/dbraw/zinc/22/79/45/174227945.db2.gz	YWGQHRFYKJCRGD-GOSISDBHSA-N	1	0	371.462	1.603	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)NCCC[NH+]2CCCC2)cc1C#N	ZINC000179014331	258342345	/nfs/dbraw/zinc/34/23/45/258342345.db2.gz	UGXJCNWNAXETNH-UHFFFAOYSA-N	1	0	358.442	1.886	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000184623810	258383029	/nfs/dbraw/zinc/38/30/29/258383029.db2.gz	HNQDKYYJZHHCMS-INIZCTEOSA-N	1	0	369.429	1.371	20	30		FDEDRO
COCCO[C@@H]1C[C@@H](CO)C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1	ZINC000278301210	258482550	/nfs/dbraw/zinc/48/25/50/258482550.db2.gz	LXRGCWUSYIEVOE-SJLPKXTDSA-N	1	0	361.442	1.233	20	30		FDEDRO
CC[C@@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(C#N)cc1	ZINC000278367329	258487469	/nfs/dbraw/zinc/48/74/69/258487469.db2.gz	BWBGTCKBLHKEMA-RBUKOAKNSA-N	1	0	356.470	1.532	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCO[C@@H](CC(C)C)C2)CC1	ZINC000553330106	543610912	/nfs/dbraw/zinc/61/09/12/543610912.db2.gz	XNJNJHLRESMDTK-IRXDYDNUSA-N	1	0	351.491	1.463	20	30		FDEDRO
CC[C@H](CNC(=O)NCCn1cnc(C#N)n1)[N@@H+]1CCc2ccccc2C1	ZINC000553395314	543625903	/nfs/dbraw/zinc/62/59/03/543625903.db2.gz	GKOAAEIOGLBALU-QGZVFWFLSA-N	1	0	367.457	1.286	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H](OCC)C2(CC)CC)CC1	ZINC000553669750	543678019	/nfs/dbraw/zinc/67/80/19/543678019.db2.gz	IYRRMXVDEMXFOK-IAGOWNOFSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=C(C)Cn1c(CCCC)nnc1N1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000555247829	543931787	/nfs/dbraw/zinc/93/17/87/543931787.db2.gz	NXJBHCXMWIBSFF-UHFFFAOYSA-N	1	0	362.522	1.797	20	30		FDEDRO
C=CCOCC[NH+]1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1	ZINC000555417071	543954409	/nfs/dbraw/zinc/95/44/09/543954409.db2.gz	SHHQYZGLGYXRJF-UHFFFAOYSA-N	1	0	367.515	1.094	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000555770443	544025903	/nfs/dbraw/zinc/02/59/03/544025903.db2.gz	LHSJWKIEHGHYFK-QGZVFWFLSA-N	1	0	354.454	1.684	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCCO[C@H](C)C1)C(C)C	ZINC000556206220	544117634	/nfs/dbraw/zinc/11/76/34/544117634.db2.gz	JVSBDNVKLWDJJQ-IAGOWNOFSA-N	1	0	351.491	1.439	20	30		FDEDRO
C=CC[C@@H]1N(C(=O)C(=O)NCCC[N@@H+](C)CCOC)CCCC1(C)C	ZINC000556270541	544125500	/nfs/dbraw/zinc/12/55/00/544125500.db2.gz	LNKBYISQOATZHX-INIZCTEOSA-N	1	0	353.507	1.664	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[N@@H+](C)CC2)ccc1F	ZINC000097161171	222164623	/nfs/dbraw/zinc/16/46/23/222164623.db2.gz	VUPFTDFNQURIME-UHFFFAOYSA-N	1	0	355.435	1.068	20	30		FDEDRO
N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c1	ZINC000557040625	544237900	/nfs/dbraw/zinc/23/79/00/544237900.db2.gz	GNSUKTXCHZKMIA-QGZVFWFLSA-N	1	0	354.414	1.308	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000557236892	544267232	/nfs/dbraw/zinc/26/72/32/544267232.db2.gz	IACVGNZAOIIRFU-UHFFFAOYSA-N	1	0	350.507	1.086	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[C@@H](SCC)C2)CC1	ZINC000557732084	544338070	/nfs/dbraw/zinc/33/80/70/544338070.db2.gz	UNFMOOCUJZHMDD-HZPDHXFCSA-N	1	0	353.532	1.886	20	30		FDEDRO
N#Cc1ncn(CC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1	ZINC000558305727	544409049	/nfs/dbraw/zinc/40/90/49/544409049.db2.gz	ZNTGYFVTKNAMAD-UHFFFAOYSA-N	1	0	364.453	1.664	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2cn3ccccc3n2)CC1	ZINC000559424670	544679959	/nfs/dbraw/zinc/67/99/59/544679959.db2.gz	CXBNUSVKFLIJOQ-UHFFFAOYSA-N	1	0	355.442	1.107	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1	ZINC000559441032	544685740	/nfs/dbraw/zinc/68/57/40/544685740.db2.gz	JFSBWDDFQBIHLY-LJQANCHMSA-N	1	0	373.497	1.674	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1	ZINC000560342640	544965671	/nfs/dbraw/zinc/96/56/71/544965671.db2.gz	JMUCYOAEXAHCDT-ZWKOTPCHSA-N	1	0	350.422	1.627	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1OC[C@H]2COCC[C@@H]21	ZINC000290805936	258851329	/nfs/dbraw/zinc/85/13/29/258851329.db2.gz	VFTQGUTWBOKRSE-CEXWTWQISA-N	1	0	357.454	1.500	20	30		FDEDRO
Cc1nccn1CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000299637058	259012587	/nfs/dbraw/zinc/01/25/87/259012587.db2.gz	MOIAUCXRSHYJQA-UHFFFAOYSA-N	1	0	354.458	1.837	20	30		FDEDRO
CNC(=O)NC(=O)CC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000299649000	259013748	/nfs/dbraw/zinc/01/37/48/259013748.db2.gz	PEFUAIORNYKGDI-UHFFFAOYSA-N	1	0	357.414	1.054	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)CC1	ZINC000972086857	782035774	/nfs/dbraw/zinc/03/57/74/782035774.db2.gz	ZNNIYNQWOYJINA-RTBURBONSA-N	1	0	357.498	1.580	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C[C@H]1[NH+](C)C	ZINC000330562214	259150619	/nfs/dbraw/zinc/15/06/19/259150619.db2.gz	AIAQJZFLULNMQV-KGLIPLIRSA-N	1	0	359.904	1.878	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)Cc2cc(C#N)ccc2F)C[C@H]1[NH+](C)C	ZINC000330567319	259150953	/nfs/dbraw/zinc/15/09/53/259150953.db2.gz	CREJZLMREWTSGX-CABCVRRESA-N	1	0	357.476	1.505	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1	ZINC000331045163	259174073	/nfs/dbraw/zinc/17/40/73/259174073.db2.gz	HJEGBEVBCDWHOQ-LBPRGKRZSA-N	1	0	352.416	1.618	20	30		FDEDRO
Cc1ncc(S(=O)(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)cc1C#N	ZINC000331128572	259177309	/nfs/dbraw/zinc/17/73/09/259177309.db2.gz	INIDIBXPFORGMY-CHWSQXEVSA-N	1	0	366.487	1.428	20	30		FDEDRO
Cc1cc(S(=O)(=O)NC(C)(C)CCN2CC[NH+](C)CC2)ccc1C#N	ZINC000331299121	259186717	/nfs/dbraw/zinc/18/67/17/259186717.db2.gz	VGKPRXSPXZYDBV-UHFFFAOYSA-N	1	0	364.515	1.561	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1	ZINC000331370085	259189847	/nfs/dbraw/zinc/18/98/47/259189847.db2.gz	IBZBVGVPKPJZNR-FQEVSTJZSA-N	1	0	373.453	1.395	20	30		FDEDRO
C[C@@H]1COCCN1CC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000331567100	259204540	/nfs/dbraw/zinc/20/45/40/259204540.db2.gz	UPMNWQMSBCGMBD-MRXNPFEDSA-N	1	0	356.470	1.929	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)N2CCCO[C@H](C[NH3+])C2)c1	ZINC000332213195	259250025	/nfs/dbraw/zinc/25/00/25/259250025.db2.gz	HOLKRUAAANJWGS-GFCCVEGCSA-N	1	0	374.260	1.059	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1[NH+]1CCCC1	ZINC000332105143	259241925	/nfs/dbraw/zinc/24/19/25/259241925.db2.gz	ZOTGEICEYFLWFD-HOTGVXAUSA-N	1	0	351.497	1.759	20	30		FDEDRO
Cc1onc(CC(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1C#N	ZINC000332260719	259253110	/nfs/dbraw/zinc/25/31/10/259253110.db2.gz	GFCLLNWGQMLGMP-KBPBESRZSA-N	1	0	360.458	1.745	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1	ZINC000332409585	259264644	/nfs/dbraw/zinc/26/46/44/259264644.db2.gz	ZQTQTZGACVIROX-JXFKEZNVSA-N	1	0	370.497	1.873	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCCC[C@@H]3CC(N)=O)CC2)o1	ZINC000332420719	259265591	/nfs/dbraw/zinc/26/55/91/259265591.db2.gz	WLGWCSZBEIWBND-CQSZACIVSA-N	1	0	374.445	1.283	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1	ZINC000332553235	259276552	/nfs/dbraw/zinc/27/65/52/259276552.db2.gz	QMPYVXHGADHBJS-KFWWJZLASA-N	1	0	357.462	1.051	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[N@@H+](C)CC1(C)C	ZINC000332626637	259283606	/nfs/dbraw/zinc/28/36/06/259283606.db2.gz	VOTGYUQKUUXBPZ-UHFFFAOYSA-N	1	0	354.458	1.703	20	30		FDEDRO
N#Cc1cnc2ccccc2c1N1CCN(C(=O)NC2CC[NH2+]CC2)CC1	ZINC000333835912	259386119	/nfs/dbraw/zinc/38/61/19/259386119.db2.gz	UGFNJEYRZTVIGG-UHFFFAOYSA-N	1	0	364.453	1.690	20	30		FDEDRO
N#Cc1ccc(Cl)c(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1	ZINC000367205682	260009722	/nfs/dbraw/zinc/00/97/22/260009722.db2.gz	KULQFNGTUQXZRV-MRXNPFEDSA-N	1	0	360.845	1.766	20	30		FDEDRO
COC(=O)Cn1cc(CC[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)nn1	ZINC000367295572	260022219	/nfs/dbraw/zinc/02/22/19/260022219.db2.gz	MCJSHZQVIOYEBB-UHFFFAOYSA-N	1	0	351.410	1.655	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CCN2CC[C@H](C[NH+]3CCCCC3)C2)nc1	ZINC000367306916	260023256	/nfs/dbraw/zinc/02/32/56/260023256.db2.gz	BNURCRKADQWBKD-QGZVFWFLSA-N	1	0	362.499	1.535	20	30		FDEDRO
C[C@H]1C[C@@H](CNC(=O)NCCn2cnc(C#N)n2)C[N@@H+]1Cc1ccccc1	ZINC000367736857	260083481	/nfs/dbraw/zinc/08/34/81/260083481.db2.gz	FWHACSNXTZNZSF-RDJZCZTQSA-N	1	0	367.457	1.360	20	30		FDEDRO
N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H]3C(=O)NC[C@H]3C2)sc2c1CCCC2	ZINC000368097026	260135240	/nfs/dbraw/zinc/13/52/40/260135240.db2.gz	DCXPNTKKFGPYTP-QWHCGFSZSA-N	1	0	372.494	1.895	20	30		FDEDRO
CC(C)(O)C[N@@H+]1CCCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1	ZINC000368819811	260242555	/nfs/dbraw/zinc/24/25/55/260242555.db2.gz	YBUCPEAXICCWRW-UHFFFAOYSA-N	1	0	355.435	1.165	20	30		FDEDRO
CC(C)N1N=C(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CCC1=O	ZINC000369088698	260293785	/nfs/dbraw/zinc/29/37/85/260293785.db2.gz	CTUXSVXXBPFIHZ-UHFFFAOYSA-N	1	0	369.469	1.835	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC([C@@H](O)c2ncc[nH]2)CC1	ZINC000369175150	260307054	/nfs/dbraw/zinc/30/70/54/260307054.db2.gz	VCDCWGQUJFAWFL-MRXNPFEDSA-N	1	0	360.439	1.724	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1	ZINC000369355973	260346749	/nfs/dbraw/zinc/34/67/49/260346749.db2.gz	TYCKUOOGCYTVGP-SJLPKXTDSA-N	1	0	356.470	1.564	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(n2cnc(C#N)n2)CC1	ZINC000373834225	261045293	/nfs/dbraw/zinc/04/52/93/261045293.db2.gz	AIOJDKQWBGIFLJ-MRXNPFEDSA-N	1	0	359.478	1.617	20	30		FDEDRO
C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1	ZINC000374109849	261080098	/nfs/dbraw/zinc/08/00/98/261080098.db2.gz	UOUBIOCDTBHJQD-HNNXBMFYSA-N	1	0	353.426	1.273	20	30		FDEDRO
C[C@@H]1CN(C(=O)COc2ccc(C#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000374313871	261109078	/nfs/dbraw/zinc/10/90/78/261109078.db2.gz	BHHLJPJSSNWKFF-VQIMIIECSA-N	1	0	356.470	1.421	20	30		FDEDRO
Cc1cn2c(n1)[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)CCC2	ZINC000374434695	261131450	/nfs/dbraw/zinc/13/14/50/261131450.db2.gz	BWMPVGHDVOKNJK-GFCCVEGCSA-N	1	0	355.373	1.835	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1	ZINC000375064603	261260176	/nfs/dbraw/zinc/26/01/76/261260176.db2.gz	JELOSJRJWNIWQR-YJBOKZPZSA-N	1	0	366.469	1.703	20	30		FDEDRO
N#Cc1ccsc1NC(=O)CC[N@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1	ZINC000375516494	261360736	/nfs/dbraw/zinc/36/07/36/261360736.db2.gz	CDLZVQXBTOEMAL-NXEZZACHSA-N	1	0	360.361	1.544	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1	ZINC000377895626	261907371	/nfs/dbraw/zinc/90/73/71/261907371.db2.gz	JKSQZRGNVMSNDU-QZTJIDSGSA-N	1	0	358.442	1.178	20	30		FDEDRO
CCOC(=O)Nc1ccc(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)cc1C#N	ZINC000378302692	262004126	/nfs/dbraw/zinc/00/41/26/262004126.db2.gz	AZSALPBQXBEBID-MRXNPFEDSA-N	1	0	357.414	1.455	20	30		FDEDRO
Cc1ccc([C@@H](CNC(=O)[C@H](C)n2cnc(C#N)n2)[NH+]2CCCC2)cc1	ZINC000409605761	262128936	/nfs/dbraw/zinc/12/89/36/262128936.db2.gz	AHQPNWDOFYZPJR-DOTOQJQBSA-N	1	0	352.442	1.973	20	30		FDEDRO
C[C@@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)n1cnc(C#N)n1	ZINC000409608949	262129241	/nfs/dbraw/zinc/12/92/41/262129241.db2.gz	SZMDKMWPEZBRJZ-ZDUSSCGKSA-N	1	0	358.471	1.801	20	30		FDEDRO
CC1CC[NH+](C[C@@H](O)CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1	ZINC000409671308	262133026	/nfs/dbraw/zinc/13/30/26/262133026.db2.gz	KPSAMFGOOKZRAI-SFHVURJKSA-N	1	0	367.453	1.567	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C)n1cnc(C#N)n1	ZINC000409872185	262142834	/nfs/dbraw/zinc/14/28/34/262142834.db2.gz	ZWSNHYAGVSHJSY-OAGGEKHMSA-N	1	0	352.442	1.832	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1nc(C2CC2)ncc1Br	ZINC000296137622	676415548	/nfs/dbraw/zinc/41/55/48/676415548.db2.gz	DCHCJLPDDLHMDN-UHFFFAOYSA-N	1	0	351.248	1.801	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCCCN2C(=O)C(C)C)c1C#N	ZINC000535510276	490496366	/nfs/dbraw/zinc/49/63/66/490496366.db2.gz	HWBAVTVYEQPHIX-HNNXBMFYSA-N	1	0	360.462	1.409	20	30		FDEDRO
CCOC(=O)c1cnc(C)c(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)c1	ZINC000537173840	490657716	/nfs/dbraw/zinc/65/77/16/490657716.db2.gz	LDPBSJPCEXOSTL-UHFFFAOYSA-N	1	0	370.413	1.566	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCN(CC(F)(F)F)C2)c1C#N	ZINC000527184388	490706950	/nfs/dbraw/zinc/70/69/50/490706950.db2.gz	JXZBIMMHKNFUAU-SNVBAGLBSA-N	1	0	358.368	1.256	20	30		FDEDRO
C[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)C(C)(C)C[NH+](C)C	ZINC000540304749	490815217	/nfs/dbraw/zinc/81/52/17/490815217.db2.gz	ZFXZQJSALVXRNY-LBPRGKRZSA-N	1	0	362.478	1.541	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)nn1CCC#N	ZINC000505021585	490817201	/nfs/dbraw/zinc/81/72/01/490817201.db2.gz	VGETYSAGVFLASS-INIZCTEOSA-N	1	0	372.473	1.424	20	30		FDEDRO
C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1	ZINC000515650120	490834669	/nfs/dbraw/zinc/83/46/69/490834669.db2.gz	JIYFQMNXRJFTQG-MNOVXSKESA-N	1	0	374.832	1.578	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)n1	ZINC000543759650	490945260	/nfs/dbraw/zinc/94/52/60/490945260.db2.gz	XXCHLUXVEJGXDS-MRXNPFEDSA-N	1	0	354.389	1.211	20	30		FDEDRO
C[NH+]1CCC(CNc2cc(C#N)nc(C3CC3)n2)(N2CCOCC2)CC1	ZINC000601176793	491898313	/nfs/dbraw/zinc/89/83/13/491898313.db2.gz	QYPAQSSSULHNEH-UHFFFAOYSA-N	1	0	356.474	1.434	20	30		FDEDRO
CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000615313895	492085638	/nfs/dbraw/zinc/08/56/38/492085638.db2.gz	XNGIHXNMIIMAFP-CQSZACIVSA-N	1	0	360.462	1.439	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)nn1CCC#N	ZINC000600063859	492240505	/nfs/dbraw/zinc/24/05/05/492240505.db2.gz	QBXVTBLLZKTQEX-OAHLLOKOSA-N	1	0	358.446	1.177	20	30		FDEDRO
CC(C)CNC(=O)NC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000028961431	519259654	/nfs/dbraw/zinc/25/96/54/519259654.db2.gz	RLNARVUSPVFAIN-UHFFFAOYSA-N	1	0	371.485	1.548	20	30		FDEDRO
C=CCn1c(C)nnc1SCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1	ZINC000029616929	519304484	/nfs/dbraw/zinc/30/44/84/519304484.db2.gz	RWLZRGQLANGFQX-HNNXBMFYSA-N	1	0	367.519	1.338	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]([C@H](C)C3CC3)C3CC3)CC2)o1	ZINC000029726292	519316775	/nfs/dbraw/zinc/31/67/75/519316775.db2.gz	RRQZVBSWUPMYLT-CYBMUJFWSA-N	1	0	357.458	1.766	20	30		FDEDRO
CNC(=O)c1ccc(C[N@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)cc1	ZINC000030533832	519374861	/nfs/dbraw/zinc/37/48/61/519374861.db2.gz	GXGSQSNGXHBCMF-LJQANCHMSA-N	1	0	367.449	1.984	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)CN1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000069017004	521782873	/nfs/dbraw/zinc/78/28/73/521782873.db2.gz	UAXZDYWAWPJULH-KZNAEPCWSA-N	1	0	364.534	1.816	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1	ZINC000043609757	521876679	/nfs/dbraw/zinc/87/66/79/521876679.db2.gz	DYSIQKNSVODUHL-GJZGRUSLSA-N	1	0	358.442	1.737	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H](C)N2CCN(c3ccccc3)CC2)CC1	ZINC000057171505	522021606	/nfs/dbraw/zinc/02/16/06/522021606.db2.gz	YURIEHFABYJJGT-IBGZPJMESA-N	1	0	368.525	1.659	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)CC1	ZINC000057170879	522022719	/nfs/dbraw/zinc/02/27/19/522022719.db2.gz	PWNKIEPSKPUEGI-UHFFFAOYSA-N	1	0	374.872	1.560	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000046511262	522313154	/nfs/dbraw/zinc/31/31/54/522313154.db2.gz	XVWGTQOGURYPFC-UHFFFAOYSA-N	1	0	357.414	1.797	20	30		FDEDRO
CN(C1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1)S(C)(=O)=O	ZINC000058922796	522316851	/nfs/dbraw/zinc/31/68/51/522316851.db2.gz	MOCNSXNFIRFNOO-UHFFFAOYSA-N	1	0	364.471	1.243	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(C)Cc2cccc(C#N)c2)C1	ZINC000046518185	522317499	/nfs/dbraw/zinc/31/74/99/522317499.db2.gz	UCHHDASIFOOSRG-LJQANCHMSA-N	1	0	358.486	1.463	20	30		FDEDRO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC2(CNC(=O)C2)CC1	ZINC000072697251	522361598	/nfs/dbraw/zinc/36/15/98/522361598.db2.gz	JDNHWCGAXXCGDM-NGEICVOHSA-N	1	0	360.502	1.908	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3C[C@H](C)S[C@@H](C)C3)CC2)o1	ZINC000072771836	522376674	/nfs/dbraw/zinc/37/66/74/522376674.db2.gz	AGYIJMRFGBZDJE-STQMWFEESA-N	1	0	363.487	1.329	20	30		FDEDRO
CCn1cnnc1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000046965425	522404514	/nfs/dbraw/zinc/40/45/14/522404514.db2.gz	SWWAZTAFFHJAQD-UHFFFAOYSA-N	1	0	367.457	1.587	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC(=O)N(C2CC2)C1	ZINC000047011530	522422477	/nfs/dbraw/zinc/42/24/77/522422477.db2.gz	CCDKPJAIMFQKIG-QGZVFWFLSA-N	1	0	354.454	1.459	20	30		FDEDRO
COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000061649269	522485989	/nfs/dbraw/zinc/48/59/89/522485989.db2.gz	ITUSKVZTJQSDIO-DLBZAZTESA-N	1	0	373.453	1.705	20	30		FDEDRO
CC[NH+]=C(NCCc1cccs1)N1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000073776344	522603812	/nfs/dbraw/zinc/60/38/12/522603812.db2.gz	JFKYWNOZBMNHSN-INIZCTEOSA-N	1	0	364.515	1.579	20	30		FDEDRO
CC(=O)N[C@H]1CCCN(C(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)C1	ZINC000063750491	522639800	/nfs/dbraw/zinc/63/98/00/522639800.db2.gz	KOFVVFZAOJJLAI-IBGZPJMESA-N	1	0	356.470	1.896	20	30		FDEDRO
CC(=O)N1CCC(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)CC1	ZINC000063750887	522641663	/nfs/dbraw/zinc/64/16/63/522641663.db2.gz	ADWNIXNLTSAOGV-UHFFFAOYSA-N	1	0	356.470	1.896	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)cc1	ZINC000047980858	522641935	/nfs/dbraw/zinc/64/19/35/522641935.db2.gz	NGIIYIGMNZLCOK-ROUUACIJSA-N	1	0	357.454	1.536	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](CNC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C1	ZINC000063852943	522663864	/nfs/dbraw/zinc/66/38/64/522663864.db2.gz	MRKSRHWPDUGAHQ-MRXNPFEDSA-N	1	0	368.485	1.999	20	30		FDEDRO
Cn1c(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(C#N)c(=O)n(C)c1=O	ZINC000064550888	522728991	/nfs/dbraw/zinc/72/89/91/522728991.db2.gz	YRHJBBFJMWNVDP-ZDUSSCGKSA-N	1	0	373.482	1.341	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1	ZINC000064767399	522754585	/nfs/dbraw/zinc/75/45/85/522754585.db2.gz	XDDUEBUNTCGNGT-UHFFFAOYSA-N	1	0	365.393	1.249	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH+]2CCC3(CNC(=O)C3)CC2)c(OC)c1	ZINC000075012583	522866892	/nfs/dbraw/zinc/86/68/92/522866892.db2.gz	UBAXSXLVWBHGEO-QGZVFWFLSA-N	1	0	374.481	1.766	20	30		FDEDRO
CC[C@@H](CO)[NH+]1CCN(CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1	ZINC000075957409	522999631	/nfs/dbraw/zinc/99/96/31/522999631.db2.gz	YAFGSBYZEQXFBJ-IBGZPJMESA-N	1	0	372.513	1.939	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1	ZINC000076281050	523063303	/nfs/dbraw/zinc/06/33/03/523063303.db2.gz	AGHLFYURGQWWJL-OAHLLOKOSA-N	1	0	359.401	1.473	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)N(C)CCCC)CC1	ZINC000052186966	523136629	/nfs/dbraw/zinc/13/66/29/523136629.db2.gz	PMLLVTMVHMHBKJ-CQSZACIVSA-N	1	0	352.479	1.357	20	30		FDEDRO
COCC[N@H+](C)CCNC(=O)CCC(=O)N(CCC#N)c1ccccc1	ZINC000066623614	523141330	/nfs/dbraw/zinc/14/13/30/523141330.db2.gz	HEJQNVILJZEPEB-UHFFFAOYSA-N	1	0	360.458	1.408	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)[NH+]1CCCC1	ZINC000076599256	523143953	/nfs/dbraw/zinc/14/39/53/523143953.db2.gz	XTFBUFQSMZXYDE-NSHDSACASA-N	1	0	366.368	1.699	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000076669805	523163719	/nfs/dbraw/zinc/16/37/19/523163719.db2.gz	PNFJUEAWJACORG-CYBMUJFWSA-N	1	0	357.863	1.601	20	30		FDEDRO
CCN(CCC#N)C(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000052409139	523170709	/nfs/dbraw/zinc/17/07/09/523170709.db2.gz	UVAQSESOUYGQCH-UHFFFAOYSA-N	1	0	353.470	1.828	20	30		FDEDRO
Cc1ccccc1C(=O)NC1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1	ZINC000052746968	523263446	/nfs/dbraw/zinc/26/34/46/523263446.db2.gz	FNRBMEBOASIQRQ-INIZCTEOSA-N	1	0	356.470	1.950	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1	ZINC000077391946	523320789	/nfs/dbraw/zinc/32/07/89/523320789.db2.gz	YPABSBGPUJKEKO-KRWDZBQOSA-N	1	0	362.499	1.267	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H](Cc2ccccc2)C(=O)OCC)CC1	ZINC000067265522	523366847	/nfs/dbraw/zinc/36/68/47/523366847.db2.gz	XZPZRRZSHUACEX-LJQANCHMSA-N	1	0	356.466	1.870	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC[NH+]1CCC(C)CC1	ZINC000067345325	523395801	/nfs/dbraw/zinc/39/58/01/523395801.db2.gz	DQVXORZKIFBDGF-UHFFFAOYSA-N	1	0	358.442	1.744	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N2CCN(CC[NH+](C)C)CC2)c(OC)c1	ZINC000053305216	523396497	/nfs/dbraw/zinc/39/64/97/523396497.db2.gz	FICFQXGIKISGIP-UHFFFAOYSA-N	1	0	361.486	1.508	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000067349215	523397630	/nfs/dbraw/zinc/39/76/30/523397630.db2.gz	FYARVAZPKXFFTR-AWEZNQCLSA-N	1	0	356.426	1.496	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000067352368	523400756	/nfs/dbraw/zinc/40/07/56/523400756.db2.gz	UYVMXEHRXKYXOL-GOEBONIOSA-N	1	0	356.426	1.638	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Cn2cnc(C#N)n2)cc1	ZINC000053620631	523476228	/nfs/dbraw/zinc/47/62/28/523476228.db2.gz	WSRMIWNNDRRQJT-HNNXBMFYSA-N	1	0	352.442	1.841	20	30		FDEDRO
C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1	ZINC000067706984	523553111	/nfs/dbraw/zinc/55/31/11/523553111.db2.gz	RCRIVEBLPNZAIR-IBGZPJMESA-N	1	0	370.497	1.097	20	30		FDEDRO
CC(C)C(=O)NC1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000078482184	523591286	/nfs/dbraw/zinc/59/12/86/523591286.db2.gz	RUEDDPGJAIKZKG-SFHVURJKSA-N	1	0	359.470	1.729	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)NCCC[NH+]2CCCCC2)c1	ZINC000078566193	523605445	/nfs/dbraw/zinc/60/54/45/523605445.db2.gz	XQRCOQIEXUULMA-UHFFFAOYSA-N	1	0	363.483	1.204	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCN(CC[NH+]2CCCC2)CC1	ZINC000078772171	523649769	/nfs/dbraw/zinc/64/97/69/523649769.db2.gz	MMVMRLDLYDNKGF-UHFFFAOYSA-N	1	0	372.469	1.186	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[N@H+](Cc2ccc(F)cc2)CC1	ZINC000078809158	523655179	/nfs/dbraw/zinc/65/51/79/523655179.db2.gz	QAZBLYQPNAEFNS-OAHLLOKOSA-N	1	0	362.449	1.734	20	30		FDEDRO
CC(C)NC(=O)NC(=O)[C@@H](C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000054642926	523671149	/nfs/dbraw/zinc/67/11/49/523671149.db2.gz	DUJLFLBFUZCOEZ-MRXNPFEDSA-N	1	0	371.485	1.689	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NCC[N@H+]2CCC[C@H](C)C2)c1	ZINC000055240969	523776651	/nfs/dbraw/zinc/77/66/51/523776651.db2.gz	YHLRPHKGPUTCSO-HNNXBMFYSA-N	1	0	365.499	1.613	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)c1	ZINC000055265071	523783266	/nfs/dbraw/zinc/78/32/66/523783266.db2.gz	PGOQTSNIUDRDDJ-HNNXBMFYSA-N	1	0	365.499	1.613	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH+]1CCC(C(=O)Nc2ccc(C)cn2)CC1	ZINC000079894957	523803419	/nfs/dbraw/zinc/80/34/19/523803419.db2.gz	TXJQWXAWROLLFC-UHFFFAOYSA-N	1	0	357.458	1.803	20	30		FDEDRO
C=CCOc1ccc(/C=C/C(=O)NCC2(O)CC[NH+](C)CC2)cc1OC	ZINC000080882245	523911276	/nfs/dbraw/zinc/91/12/76/523911276.db2.gz	VPZGKFILJBGRLR-SOFGYWHQSA-N	1	0	360.454	1.846	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000080942315	523919585	/nfs/dbraw/zinc/91/95/85/523919585.db2.gz	JFQJFRBSCZBJQR-UHFFFAOYSA-N	1	0	351.454	1.444	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)Cc2ccc(OCC#N)cc2)CC1	ZINC000110767960	524135139	/nfs/dbraw/zinc/13/51/39/524135139.db2.gz	FMUAIZDPCRXPOS-IBGZPJMESA-N	1	0	370.497	1.760	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1ccc(Br)cc1	ZINC000081749070	524176011	/nfs/dbraw/zinc/17/60/11/524176011.db2.gz	QKOIRFBBUATMFC-UHFFFAOYSA-N	1	0	355.280	1.576	20	30		FDEDRO
COC(=O)CN(CC#N)C(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1	ZINC000172359220	524208036	/nfs/dbraw/zinc/20/80/36/524208036.db2.gz	BYVBSMYUIVWVAK-UHFFFAOYSA-N	1	0	358.442	1.356	20	30		FDEDRO
Cn1cc(N2CC[C@@H](O/[NH+]=C/c3ccc(N4CCOCC4)cc3)C2=O)cn1	ZINC000111175814	524211091	/nfs/dbraw/zinc/21/10/91/524211091.db2.gz	VRRJSLQSIFVBOY-AGKWGAAGSA-N	1	0	369.425	1.413	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000111230890	524228213	/nfs/dbraw/zinc/22/82/13/524228213.db2.gz	YWZQRWBSBFQCNV-IBGZPJMESA-N	1	0	355.486	1.599	20	30		FDEDRO
C=CC1CC[NH+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000111257163	524237461	/nfs/dbraw/zinc/23/74/61/524237461.db2.gz	AWIBFOFPVANSSO-CQSZACIVSA-N	1	0	365.499	1.279	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)c3c(F)cc(C#N)cc3F)ccn2)CC1	ZINC000121379388	524238546	/nfs/dbraw/zinc/23/85/46/524238546.db2.gz	YQKFHNVYFSINTG-UHFFFAOYSA-N	1	0	371.391	1.913	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(Nc2cccc(OC)c2)CC1	ZINC000111305049	524256923	/nfs/dbraw/zinc/25/69/23/524256923.db2.gz	UDBXJCCXSRLKLW-CQSZACIVSA-N	1	0	360.458	1.972	20	30		FDEDRO
C#CCCN1CCN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)CC1	ZINC000139155962	524276977	/nfs/dbraw/zinc/27/69/77/524276977.db2.gz	QCVLJSLQDWMFFZ-UHFFFAOYSA-N	1	0	361.467	1.291	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)N[C@H]1C[C@H]1C	ZINC000083880466	524278168	/nfs/dbraw/zinc/27/81/68/524278168.db2.gz	XABVAQLWKQWJLP-PBHICJAKSA-N	1	0	364.515	1.935	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)CCc2c(C)nn(CCC#N)c2C)CC1	ZINC000141479380	524334058	/nfs/dbraw/zinc/33/40/58/524334058.db2.gz	PXLUWATUUPFEMC-UHFFFAOYSA-N	1	0	361.490	1.573	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(N3CCCC3=O)c2)CC1	ZINC000173273457	524358378	/nfs/dbraw/zinc/35/83/78/524358378.db2.gz	RVIJBUKOCHEZEX-UHFFFAOYSA-N	1	0	370.453	1.519	20	30		FDEDRO
Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccn(CCC#N)n2)[NH+](C)C)cc1	ZINC000086450490	524392602	/nfs/dbraw/zinc/39/26/02/524392602.db2.gz	TYGCWLGUHWRIKU-INIZCTEOSA-N	1	0	368.441	1.463	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2ccc(OC)c(N3CCNC3=O)c2)CC1	ZINC000173579502	524419399	/nfs/dbraw/zinc/41/93/99/524419399.db2.gz	PKPWZQCNMAOKOA-UHFFFAOYSA-N	1	0	372.469	1.995	20	30		FDEDRO
C[NH+](C)CCN1CCC(NC(=O)NCCOc2ccc(C#N)cc2)CC1	ZINC000173743247	524449479	/nfs/dbraw/zinc/44/94/79/524449479.db2.gz	GFSCHUGSNSVWGE-UHFFFAOYSA-N	1	0	359.474	1.262	20	30		FDEDRO
C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000122133968	524459383	/nfs/dbraw/zinc/45/93/83/524459383.db2.gz	VITPZXYKMRHFFU-UHFFFAOYSA-N	1	0	368.384	1.802	20	30		FDEDRO
CCC[NH+]1CCC(N2CCN(CC(=O)N(CC)C[C@@H](C)C#N)CC2)CC1	ZINC000112358640	524468286	/nfs/dbraw/zinc/46/82/86/524468286.db2.gz	VMWMPOSOHSBDJY-SFHVURJKSA-N	1	0	363.550	1.487	20	30		FDEDRO
CC[NH+]=C(NCCc1cccc(F)c1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158585312	524494339	/nfs/dbraw/zinc/49/43/39/524494339.db2.gz	PNGGASSBNLRANW-UHFFFAOYSA-N	1	0	355.479	1.843	20	30		FDEDRO
C[NH+]=C(NC[C@H]1[C@@H]2Cc3ccccc3[C@@H]21)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158621193	524498810	/nfs/dbraw/zinc/49/88/10/524498810.db2.gz	PJDLTYMILKVKBT-ULQDDVLXSA-N	1	0	361.511	1.657	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](CC(C)C)N2CCCCC2=O)c1C#N	ZINC000089675087	524520444	/nfs/dbraw/zinc/52/04/44/524520444.db2.gz	FFBJFEHFZZWKPA-INIZCTEOSA-N	1	0	374.489	1.799	20	30		FDEDRO
CCCC(=O)N1CCC[C@H](C(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)C1	ZINC000089676700	524520572	/nfs/dbraw/zinc/52/05/72/524520572.db2.gz	SVDYHQDKSICHPE-ZDUSSCGKSA-N	1	0	360.462	1.411	20	30		FDEDRO
Cc1ccccc1C[C@H](C)NC(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000089943762	524556677	/nfs/dbraw/zinc/55/66/77/524556677.db2.gz	CJVXOUZSPOVXJJ-HNNXBMFYSA-N	1	0	368.485	1.784	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)c1csc(S(N)(=O)=O)c1)C(C)C	ZINC000112919934	524595118	/nfs/dbraw/zinc/59/51/18/524595118.db2.gz	VYMOSSYVBLWVPK-CQSZACIVSA-N	1	0	371.528	1.824	20	30		FDEDRO
C=CCc1cc(C[NH2+]C[C@](C)(O)CN2CCOCC2)cc(OC)c1O	ZINC000174483563	524597041	/nfs/dbraw/zinc/59/70/41/524597041.db2.gz	NOCWSCRBAYOLRS-IBGZPJMESA-N	1	0	350.459	1.302	20	30		FDEDRO
C[C@H]1C[C@@H](N(C)C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC[N@@H+]1C	ZINC000122743093	524607870	/nfs/dbraw/zinc/60/78/70/524607870.db2.gz	OHXRIZIKMZWCBS-YOEHRIQHSA-N	1	0	363.483	1.414	20	30		FDEDRO
C=CCCOCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000090883921	524616511	/nfs/dbraw/zinc/61/65/11/524616511.db2.gz	KBRZYHQEVIEGPL-INIZCTEOSA-N	1	0	368.499	1.951	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCCN(c3ccn(C)n3)C2=O)cc1	ZINC000174588367	524637447	/nfs/dbraw/zinc/63/74/47/524637447.db2.gz	KXFQJCKKFFXLSW-YOEHRIQHSA-N	1	0	353.426	1.996	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)n1	ZINC000091194221	524654820	/nfs/dbraw/zinc/65/48/20/524654820.db2.gz	GIPQKQJDQATARS-HNNXBMFYSA-N	1	0	374.489	1.902	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)n1	ZINC000091208905	524663529	/nfs/dbraw/zinc/66/35/29/524663529.db2.gz	RZEXGJSJHQYFSW-KUHUBIRLSA-N	1	0	374.489	1.901	20	30		FDEDRO
C#CCCOc1ccc(C[NH2+]CCC(=O)N2CCN(C(C)=O)CC2)cc1	ZINC000113339701	524671458	/nfs/dbraw/zinc/67/14/58/524671458.db2.gz	ICOGYCGWIGILRC-UHFFFAOYSA-N	1	0	357.454	1.259	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)NCC[N@@H+](CC)CCC)c1	ZINC000174649636	524674776	/nfs/dbraw/zinc/67/47/76/524674776.db2.gz	ILXYPPJNFLLAHZ-UHFFFAOYSA-N	1	0	351.472	1.060	20	30		FDEDRO
C[C@@H](CNC(=O)NCc1ccc(OCC#N)cc1)C[NH+]1CCN(C)CC1	ZINC000174658690	524678057	/nfs/dbraw/zinc/67/80/57/524678057.db2.gz	FSTLBWISEBPWRQ-INIZCTEOSA-N	1	0	359.474	1.272	20	30		FDEDRO
C[NH+]=C(NCc1noc(C)n1)N(C)Cc1cc(Br)cn1C	ZINC000159473819	524679297	/nfs/dbraw/zinc/67/92/97/524679297.db2.gz	GBEFCZLASOPCGN-UHFFFAOYSA-N	1	0	355.240	1.686	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N	ZINC000091251391	524682742	/nfs/dbraw/zinc/68/27/42/524682742.db2.gz	PVROJLUXJJURMH-OAHLLOKOSA-N	1	0	360.462	1.511	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)C[NH+]1CCCC1	ZINC000123204338	524701317	/nfs/dbraw/zinc/70/13/17/524701317.db2.gz	ZNMGKHDPDHYIJG-CVEARBPZSA-N	1	0	371.489	1.300	20	30		FDEDRO
Cc1oc(NC(=O)[C@@H](C)N(C)CCC[NH+]2CCN(C)CC2)c(C#N)c1C	ZINC000174717119	524703429	/nfs/dbraw/zinc/70/34/29/524703429.db2.gz	OHAVBYZICJJDMN-OAHLLOKOSA-N	1	0	361.490	1.664	20	30		FDEDRO
C[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1	ZINC000123249964	524712886	/nfs/dbraw/zinc/71/28/86/524712886.db2.gz	OTNKFIIKVLULER-AWEZNQCLSA-N	1	0	357.458	1.574	20	30		FDEDRO
CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1(C)C	ZINC000091581137	524730328	/nfs/dbraw/zinc/73/03/28/524730328.db2.gz	XJNMXJHKARWFEY-OKZBNKHCSA-N	1	0	364.534	1.814	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+]CC(=O)N3CCN(c4ccccc4)CC3)n2c1	ZINC000123488449	524761439	/nfs/dbraw/zinc/76/14/39/524761439.db2.gz	SVONFMWFGPPNTG-UHFFFAOYSA-N	1	0	374.448	1.644	20	30		FDEDRO
CC(C)(C#N)CCC[NH+]1CCN(c2cc(N3CCOCC3)ncn2)CC1	ZINC000174871075	524771232	/nfs/dbraw/zinc/77/12/32/524771232.db2.gz	COJAXYXOWIYARC-UHFFFAOYSA-N	1	0	358.490	1.765	20	30		FDEDRO
Cc1ccc(C)c(/N=C2\NC(=O)C(CC(=O)NCCC[NH+](C)C)S2)c1	ZINC000174891812	524779860	/nfs/dbraw/zinc/77/98/60/524779860.db2.gz	GFKNWZRRRVYLMR-OAHLLOKOSA-N	1	0	362.499	1.981	20	30		FDEDRO
C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)C1	ZINC000152154862	524796916	/nfs/dbraw/zinc/79/69/16/524796916.db2.gz	XDWSLAJSHFLNOG-WXOYBGPJSA-N	1	0	354.454	1.938	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1C#N	ZINC000174940036	524807124	/nfs/dbraw/zinc/80/71/24/524807124.db2.gz	TUJDKFBRYTUVGM-HNNXBMFYSA-N	1	0	358.442	1.158	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)COCc1ccccc1	ZINC000114462099	524807257	/nfs/dbraw/zinc/80/72/57/524807257.db2.gz	RLEYSWOQWMPKJC-KPFFTGBYSA-N	1	0	361.486	1.939	20	30		FDEDRO
C[NH+]1CCN(Cc2ccc(CNC(=O)C3(C#N)CCOCC3)cc2)CC1	ZINC000114679370	524851276	/nfs/dbraw/zinc/85/12/76/524851276.db2.gz	VLKUZCUUSKDCBE-UHFFFAOYSA-N	1	0	356.470	1.371	20	30		FDEDRO
COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2CCC(=O)N(C)CCC#N)cc1	ZINC000092802776	524916574	/nfs/dbraw/zinc/91/65/74/524916574.db2.gz	RBVQURFRESXNCZ-KRWDZBQOSA-N	1	0	358.442	1.860	20	30		FDEDRO
C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000124166138	524920722	/nfs/dbraw/zinc/92/07/22/524920722.db2.gz	AUTGLNZVLQSUEQ-MRXNPFEDSA-N	1	0	368.441	1.024	20	30		FDEDRO
N#Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)cn1	ZINC000115033166	524937349	/nfs/dbraw/zinc/93/73/49/524937349.db2.gz	XUDXYHXJKOZJRW-UHFFFAOYSA-N	1	0	363.421	1.903	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)NC(C)C)N1CC[C@@H](c2ccccc2)C1	ZINC000175482974	524969448	/nfs/dbraw/zinc/96/94/48/524969448.db2.gz	MYMPBXSDKIUCHA-MRXNPFEDSA-N	1	0	352.504	1.379	20	30		FDEDRO
C[NH+]=C(NCC[C@H]1c2ccccc2NC1=O)N1CC[C@H](c2cnn(C)c2)C1	ZINC000175577170	524980866	/nfs/dbraw/zinc/98/08/66/524980866.db2.gz	LXZYUZRFMCLFPE-YOEHRIQHSA-N	1	0	366.469	1.911	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1	ZINC000115433042	524990898	/nfs/dbraw/zinc/99/08/98/524990898.db2.gz	YDVYDNZNEJGGIY-OAHLLOKOSA-N	1	0	363.483	1.012	20	30		FDEDRO
C=CCn1c(SCC(=O)NCCC[NH+](C)C)nc2sccc2c1=O	ZINC000124520873	525009232	/nfs/dbraw/zinc/00/92/32/525009232.db2.gz	BJCLUHHMSJRWOU-UHFFFAOYSA-N	1	0	366.512	1.804	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1	ZINC000124953035	525113945	/nfs/dbraw/zinc/11/39/45/525113945.db2.gz	JEZBAHJTZWOZPE-MRXNPFEDSA-N	1	0	353.488	1.596	20	30		FDEDRO
O=C(NCC[NH2+]Cc1c[nH]nc1-c1ccccc1F)C1N=CC=CC1=O	ZINC000176497660	525129718	/nfs/dbraw/zinc/12/97/18/525129718.db2.gz	IWLHRGFQYBSUJY-ZCXUNETKSA-N	1	0	355.373	1.832	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)N1CCCc2ccccc21	ZINC000153247759	525155506	/nfs/dbraw/zinc/15/55/06/525155506.db2.gz	CKHNHZUMHDREQV-UHFFFAOYSA-N	1	0	352.442	1.707	20	30		FDEDRO
C[C@@H](NC(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N)c1ccccc1	ZINC000153273687	525164058	/nfs/dbraw/zinc/16/40/58/525164058.db2.gz	JWJJQNDHSSVRGR-KGLIPLIRSA-N	1	0	354.458	1.994	20	30		FDEDRO
C[NH+]=C(NCc1cccc2c1OCO2)N1CCO[C@H](c2cnn(C)c2)C1	ZINC000153297203	525170929	/nfs/dbraw/zinc/17/09/29/525170929.db2.gz	TWNZQNWXOWFLBR-INIZCTEOSA-N	1	0	357.414	1.298	20	30		FDEDRO
CNC(=O)C(C)(C)CNC(=[NH+]C)N(C)Cc1nc2c(s1)CCCC2	ZINC000161823082	525173855	/nfs/dbraw/zinc/17/38/55/525173855.db2.gz	CIQUBAJWAYUWDB-UHFFFAOYSA-N	1	0	351.520	1.801	20	30		FDEDRO
C[C@H](C(=O)NCCc1ccccc1)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153321498	525178855	/nfs/dbraw/zinc/17/88/55/525178855.db2.gz	LBKRQCBWGKCEFL-CQSZACIVSA-N	1	0	354.458	1.475	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCCCc2cc(N)n(-c3ccccc3)n2)CC1	ZINC000098093300	525203755	/nfs/dbraw/zinc/20/37/55/525203755.db2.gz	ALHNDWIPMDYWAN-UHFFFAOYSA-N	1	0	365.481	1.849	20	30		FDEDRO
CC(=O)c1cccc(NC(=O)[C@H](C)N(C)CCCc2[nH]nc(N)c2C#N)c1	ZINC000125476342	525204025	/nfs/dbraw/zinc/20/40/25/525204025.db2.gz	AEPAPQKCDGMEBG-LBPRGKRZSA-N	1	0	368.441	1.958	20	30		FDEDRO
C[C@@](C#N)(NC(=O)CN1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1)C1CC1	ZINC000101922650	525260227	/nfs/dbraw/zinc/26/02/27/525260227.db2.gz	PXNZPGTZLLXPHH-LPHOPBHVSA-N	1	0	373.432	1.830	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)cc1	ZINC000162471848	525266525	/nfs/dbraw/zinc/26/65/25/525266525.db2.gz	ALXCHDXUKYJOFT-UHFFFAOYSA-N	1	0	355.482	1.987	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CNC(=O)c1cccnc1	ZINC000153650174	525276677	/nfs/dbraw/zinc/27/66/77/525276677.db2.gz	PJRQPOOAANTBCI-UHFFFAOYSA-N	1	0	365.437	1.273	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CCCOc2cccc(C#N)c2)CC1	ZINC000162567540	525280744	/nfs/dbraw/zinc/28/07/44/525280744.db2.gz	BUPYYHVOILPVSQ-IBGZPJMESA-N	1	0	356.470	1.566	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH+]1CCC(C(=O)Nc2cnn(CC)c2)CC1	ZINC000102398840	525284748	/nfs/dbraw/zinc/28/47/48/525284748.db2.gz	KFMWGTUPCIOSBR-UHFFFAOYSA-N	1	0	359.474	1.754	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccccc1C#N)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000162808321	525321193	/nfs/dbraw/zinc/32/11/93/525321193.db2.gz	KDJMVVZWHBDUKK-MAUKXSAKSA-N	1	0	369.469	1.124	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)CC[NH+]1CCCC1	ZINC000103118577	525325580	/nfs/dbraw/zinc/32/55/80/525325580.db2.gz	SFZDAMCVDDCROG-UHFFFAOYSA-N	1	0	354.458	1.705	20	30		FDEDRO
CS(=O)(=O)CCCON=C(N)c1cccc(C[NH+]2CCCCC2)c1	ZINC000103136177	525328553	/nfs/dbraw/zinc/32/85/53/525328553.db2.gz	MPODRZDOKXQRHG-UHFFFAOYSA-N	1	0	353.488	1.744	20	30		FDEDRO
N#Cc1csc(C[NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)c1	ZINC000177694462	525331270	/nfs/dbraw/zinc/33/12/70/525331270.db2.gz	YLNYOUIPQUUADK-UHFFFAOYSA-N	1	0	356.455	1.238	20	30		FDEDRO
C=C(C)CNC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1	ZINC000126676483	525340628	/nfs/dbraw/zinc/34/06/28/525340628.db2.gz	LEUCBBSHLBRFBF-UHFFFAOYSA-N	1	0	358.442	1.015	20	30		FDEDRO
C[NH+]=C(NCc1cc2c(cc1OC)C[C@H](C)O2)N[C@@H]1CCc2ncnn2C1	ZINC000153914319	525361261	/nfs/dbraw/zinc/36/12/61/525361261.db2.gz	CGAIGYCXEIICGK-SWLSCSKDSA-N	1	0	370.457	1.290	20	30		FDEDRO
C=CCNC(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)=[NH+]C	ZINC000103901887	525380793	/nfs/dbraw/zinc/38/07/93/525380793.db2.gz	UDFBDMSKRFMZFN-UHFFFAOYSA-N	1	0	350.488	1.438	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1	ZINC000127421165	525418954	/nfs/dbraw/zinc/41/89/54/525418954.db2.gz	RSGXMDYKLQEWHU-MSOLQXFVSA-N	1	0	363.483	1.604	20	30		FDEDRO
N#Cc1ncn(CC(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)n1	ZINC000178455766	525431766	/nfs/dbraw/zinc/43/17/66/525431766.db2.gz	BQBCQRGOOWQXSB-UHFFFAOYSA-N	1	0	365.441	1.320	20	30		FDEDRO
C[NH+](C)CCNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	ZINC000118094393	525433840	/nfs/dbraw/zinc/43/38/40/525433840.db2.gz	FVNDVLNVMSDWNL-UHFFFAOYSA-N	1	0	352.394	1.967	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)Cc2cccc(C#N)c2)CC1=O	ZINC000105316370	525492728	/nfs/dbraw/zinc/49/27/28/525492728.db2.gz	WEWVQHWOFKZESP-MOPGFXCFSA-N	1	0	368.481	1.849	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H](C)NC(=O)c2ccccc2)c1C#N	ZINC000128158374	525510371	/nfs/dbraw/zinc/51/03/71/525510371.db2.gz	STURBHLAHPVBPH-ZDUSSCGKSA-N	1	0	368.441	1.580	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cnn(-c3ccccc3)c2C)CC1	ZINC000179044371	525523619	/nfs/dbraw/zinc/52/36/19/525523619.db2.gz	MAMJBWOCCVNDLJ-UHFFFAOYSA-N	1	0	367.453	1.886	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CCN(Cc2csc(CC)n2)CC1	ZINC000154418084	525528534	/nfs/dbraw/zinc/52/85/34/525528534.db2.gz	VBBMMGPFHPGPFA-ZDUSSCGKSA-N	1	0	365.503	1.223	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1	ZINC000154439611	525535431	/nfs/dbraw/zinc/53/54/31/525535431.db2.gz	XTDHIGKALZRIAJ-QGZVFWFLSA-N	1	0	357.454	1.970	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(Cc2nccn2C)CC1	ZINC000106030548	525549058	/nfs/dbraw/zinc/54/90/58/525549058.db2.gz	WOUWZEOYKXRKDI-HNNXBMFYSA-N	1	0	353.426	1.403	20	30		FDEDRO
C[C@@H](CN1CCN(c2ccccc2)CC1)NS(=O)(=O)CC1(C#N)CC1	ZINC000165657383	525556393	/nfs/dbraw/zinc/55/63/93/525556393.db2.gz	FOKPDOSWGSCGIP-INIZCTEOSA-N	1	0	362.499	1.420	20	30		FDEDRO
CCC[C@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2C)CCN1CCOC	ZINC000179391718	525574152	/nfs/dbraw/zinc/57/41/52/525574152.db2.gz	VFTGGHYPAIOWBK-KRWDZBQOSA-N	1	0	372.469	1.765	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)c1	ZINC000118895883	525577274	/nfs/dbraw/zinc/57/72/74/525577274.db2.gz	AWTBCRQBZHBEOK-INIZCTEOSA-N	1	0	357.454	1.875	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1	ZINC000180177209	525670913	/nfs/dbraw/zinc/67/09/13/525670913.db2.gz	UJMZBZZCAXBKRE-GOSISDBHSA-N	1	0	374.485	1.824	20	30		FDEDRO
Cc1c(C)n(-c2ccccc2)c(NC(=O)CN(CCO)CCO)c1C#N	ZINC000154924499	525687434	/nfs/dbraw/zinc/68/74/34/525687434.db2.gz	QSTWFGLZTKFTGL-UHFFFAOYSA-N	1	0	356.426	1.191	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cn(-c3ccccc3)nc2C)CC1	ZINC000180302942	525689618	/nfs/dbraw/zinc/68/96/18/525689618.db2.gz	USOLXHSJUSQCGF-UHFFFAOYSA-N	1	0	367.453	1.886	20	30		FDEDRO
COc1ccc([C@@H](CNC(=O)N2CCO[C@@H](C#N)C2)[NH+]2CCCC2)cc1	ZINC000106326968	525693318	/nfs/dbraw/zinc/69/33/18/525693318.db2.gz	FLVNZRJOTXRZPA-ZWKOTPCHSA-N	1	0	358.442	1.766	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1	ZINC000106341265	525697666	/nfs/dbraw/zinc/69/76/66/525697666.db2.gz	OIKCLQULRGVXQY-KRWDZBQOSA-N	1	0	364.490	1.060	20	30		FDEDRO
CC(C)C[C@H](NC(=O)NCc1cccc(C#N)c1)C(=O)NCC[NH+](C)C	ZINC000119337026	525712128	/nfs/dbraw/zinc/71/21/28/525712128.db2.gz	LWYKJIQIQBUMFL-KRWDZBQOSA-N	1	0	359.474	1.450	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1	ZINC000180547206	525720514	/nfs/dbraw/zinc/72/05/14/525720514.db2.gz	TXUPQISXPNOEJY-AWEZNQCLSA-N	1	0	350.488	1.562	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O	ZINC000180732234	525748319	/nfs/dbraw/zinc/74/83/19/525748319.db2.gz	NMNSWYDPQDNEAU-HDICACEKSA-N	1	0	369.465	1.528	20	30		FDEDRO
CCN1CCC[C@@H]1CNC(=[NH2+])NCCS(=O)(=O)c1ccc(Cl)cc1	ZINC000170904875	525761413	/nfs/dbraw/zinc/76/14/13/525761413.db2.gz	WIQOYXPYRVZTFO-CQSZACIVSA-N	1	0	372.922	1.502	20	30		FDEDRO
C#CCSCC[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000181099398	525806126	/nfs/dbraw/zinc/80/61/26/525806126.db2.gz	CSTATIVCDJCAMH-OAHLLOKOSA-N	1	0	368.524	1.725	20	30		FDEDRO
N#CCCn1cc(C[NH2+]CCNC(=O)c2ccn[nH]2)c(-c2ccccc2)n1	ZINC000181138894	525811284	/nfs/dbraw/zinc/81/12/84/525811284.db2.gz	OQGFAAXSLRLOSH-UHFFFAOYSA-N	1	0	363.425	1.706	20	30		FDEDRO
CC(C)(C)CC[NH+]1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1	ZINC000171114862	525854255	/nfs/dbraw/zinc/85/42/55/525854255.db2.gz	GUEWTXJKCHUSNN-UHFFFAOYSA-N	1	0	356.470	1.868	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1	ZINC000181670541	525888027	/nfs/dbraw/zinc/88/80/27/525888027.db2.gz	FLOXALUQSPKWNN-UONOGXRCSA-N	1	0	356.426	1.516	20	30		FDEDRO
C[NH+](C)CCn1c2cc(NC(=O)c3ccc(C#N)cn3)ccc2oc1=O	ZINC000107466417	525889495	/nfs/dbraw/zinc/88/94/95/525889495.db2.gz	LQWPEXFQCMEMHF-UHFFFAOYSA-N	1	0	351.366	1.675	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(NC(=O)C2CCOCC2)CC1	ZINC000107684473	525906221	/nfs/dbraw/zinc/90/62/21/525906221.db2.gz	OCDFYPOGYSLNHU-MRXNPFEDSA-N	1	0	365.518	1.807	20	30		FDEDRO
N#Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)nc1	ZINC000107767817	525919538	/nfs/dbraw/zinc/91/95/38/525919538.db2.gz	CIRKSUOSFXYJMB-UHFFFAOYSA-N	1	0	350.422	1.840	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(C)[C@@H](C)CC#N)c(C)c2)CC1	ZINC000132084798	525934832	/nfs/dbraw/zinc/93/48/32/525934832.db2.gz	ISRVLVWSPWHQBQ-INIZCTEOSA-N	1	0	371.485	1.836	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NCc2cccc(C#N)c2)CC1	ZINC000108551113	525985510	/nfs/dbraw/zinc/98/55/10/525985510.db2.gz	FDUFVSHDZVTAHK-IBGZPJMESA-N	1	0	355.486	1.870	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CC(=O)NCC(F)(F)F	ZINC000181936982	525990507	/nfs/dbraw/zinc/99/05/07/525990507.db2.gz	SPGQKKHIBXHRTD-UHFFFAOYSA-N	1	0	370.375	1.517	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cc(S(N)(=O)=O)ccc2Cl)CC1	ZINC000171566124	526038494	/nfs/dbraw/zinc/03/84/94/526038494.db2.gz	DWMLNXJJNSZLDZ-UHFFFAOYSA-N	1	0	357.863	1.368	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)CC1	ZINC000171716591	526091518	/nfs/dbraw/zinc/09/15/18/526091518.db2.gz	RFOMOJRUQNCMLG-QGZVFWFLSA-N	1	0	371.481	1.810	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)CC1	ZINC000171740651	526102912	/nfs/dbraw/zinc/10/29/12/526102912.db2.gz	AJCOFYAUBARJJO-CQSZACIVSA-N	1	0	369.412	1.654	20	30		FDEDRO
Cc1noc(C)c1CCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000133975268	526111999	/nfs/dbraw/zinc/11/19/99/526111999.db2.gz	JNWONXDELAUYHR-AWEZNQCLSA-N	1	0	363.462	1.714	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C	ZINC000120677965	526148360	/nfs/dbraw/zinc/14/83/60/526148360.db2.gz	SYZWECFMGCBYTN-SCLBCKFNSA-N	1	0	368.485	1.949	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN(CCC#N)CC(C)(C)C)C1	ZINC000109812567	526190196	/nfs/dbraw/zinc/19/01/96/526190196.db2.gz	WSGYHBNWAHKYPM-KRWDZBQOSA-N	1	0	352.523	1.721	20	30		FDEDRO
CN(C(=O)C[N@@H+]1CCCC[C@H]1CN1CCOCC1)C1(C#N)CCCCC1	ZINC000109819576	526192690	/nfs/dbraw/zinc/19/26/90/526192690.db2.gz	JRDXGCHMXWWNQC-SFHVURJKSA-N	1	0	362.518	1.858	20	30		FDEDRO
CC(C)[N@H+](CCO)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000182698059	535848677	/nfs/dbraw/zinc/84/86/77/535848677.db2.gz	KZIYILBODSPRPW-HNNXBMFYSA-N	1	0	350.488	1.160	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@H](N4CCOCC4)C3)C2=O)cc1	ZINC000182811718	535867314	/nfs/dbraw/zinc/86/73/14/535867314.db2.gz	SYDBIPGUECCQSD-RBUKOAKNSA-N	1	0	354.454	1.460	20	30		FDEDRO
C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1	ZINC000183189139	535939321	/nfs/dbraw/zinc/93/93/21/535939321.db2.gz	RMQHFCKRRLZMLA-INIZCTEOSA-N	1	0	374.485	1.209	20	30		FDEDRO
C[C@H](O)[C@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1	ZINC000183217172	535945329	/nfs/dbraw/zinc/94/53/29/535945329.db2.gz	HHJLLEROVURMSP-JYJNAYRXSA-N	1	0	362.499	1.160	20	30		FDEDRO
Cc1nccc(N2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)n1	ZINC000183797123	536051008	/nfs/dbraw/zinc/05/10/08/536051008.db2.gz	CHJFAKHYQSDKGS-UHFFFAOYSA-N	1	0	350.426	1.808	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)Cc2ccc(OCC(=O)OC)cc2)CC1	ZINC000184624390	536170611	/nfs/dbraw/zinc/17/06/11/536170611.db2.gz	QYJOCDWJSNOZQH-UHFFFAOYSA-N	1	0	358.438	1.542	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OCCCC)nc2)CC1	ZINC000184706855	536177711	/nfs/dbraw/zinc/17/77/11/536177711.db2.gz	XMLXVPBDNSWPNY-UHFFFAOYSA-N	1	0	360.458	1.966	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)NC[C@H](C)C[NH+]1CCCCC1	ZINC000185489253	536209849	/nfs/dbraw/zinc/20/98/49/536209849.db2.gz	KIMARHLLGYHQAQ-AWEZNQCLSA-N	1	0	351.472	1.967	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1ccc(OCC#N)cc1	ZINC000185664144	536214697	/nfs/dbraw/zinc/21/46/97/536214697.db2.gz	UOPZMVVDUOKPLT-MRXNPFEDSA-N	1	0	359.474	1.414	20	30		FDEDRO
N#C[C@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1	ZINC000185816018	536218299	/nfs/dbraw/zinc/21/82/99/536218299.db2.gz	XLTBGMWGNLPOEW-RCCFBDPRSA-N	1	0	370.501	1.954	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NC[C@@H](c1ccccc1)C(F)(F)F	ZINC000185954415	536222441	/nfs/dbraw/zinc/22/24/41/536222441.db2.gz	BLRVQJOBQCDGOR-HNNXBMFYSA-N	1	0	358.408	1.959	20	30		FDEDRO
CN(CC(=O)N[C@@](C)(C#N)C1CC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000188297639	536289113	/nfs/dbraw/zinc/28/91/13/536289113.db2.gz	BXLORIBWXGGFND-LEWJYISDSA-N	1	0	370.497	1.364	20	30		FDEDRO
CN(CC(=O)N[C@](C)(C#N)C1CC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000188297617	536289203	/nfs/dbraw/zinc/28/92/03/536289203.db2.gz	BXLORIBWXGGFND-NHCUHLMSSA-N	1	0	370.497	1.364	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)cc1	ZINC000188398882	536292076	/nfs/dbraw/zinc/29/20/76/536292076.db2.gz	GRAFKEQMMAKQHX-CIWNDQFJSA-N	1	0	368.434	1.138	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1	ZINC000266612269	536909778	/nfs/dbraw/zinc/90/97/78/536909778.db2.gz	AIAVOSLKXXDJCY-INIZCTEOSA-N	1	0	370.453	1.840	20	30		FDEDRO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCO[C@@H](C[NH+](C)C)C1	ZINC000246359788	536935564	/nfs/dbraw/zinc/93/55/64/536935564.db2.gz	NFYRRBHERVCFGW-DOMZBBRYSA-N	1	0	350.850	1.801	20	30		FDEDRO
CC(C)[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1nc(-c2nc[nH]n2)no1	ZINC000188816785	536955817	/nfs/dbraw/zinc/95/58/17/536955817.db2.gz	XQSMVNNBJGUKOM-KGLIPLIRSA-N	1	0	353.386	1.747	20	30		FDEDRO
C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CCSC1	ZINC000267271528	536967730	/nfs/dbraw/zinc/96/77/30/536967730.db2.gz	FFOJKDXZHZPVHD-MRXNPFEDSA-N	1	0	366.874	1.704	20	30		FDEDRO
C[NH+]=C(NCc1ccn(-c2ccc(OC)cc2)n1)N1CCN(C(C)=O)CC1	ZINC000263264462	537004623	/nfs/dbraw/zinc/00/46/23/537004623.db2.gz	USJSATSLFQHDST-UHFFFAOYSA-N	1	0	370.457	1.120	20	30		FDEDRO
[NH2+]=C(NC[C@H]1CCCN(c2nccn3cnnc23)C1)NC1CCCCC1	ZINC000263270190	537005494	/nfs/dbraw/zinc/00/54/94/537005494.db2.gz	OSKSYJWZTSKDDJ-CQSZACIVSA-N	1	0	356.478	1.578	20	30		FDEDRO
Cc1ccc(C(=O)NCCC(=O)N(CCC#N)CCC[NH+](C)C)c(O)c1	ZINC000268177551	537011731	/nfs/dbraw/zinc/01/17/31/537011731.db2.gz	KUVYJEBFKUSSQK-UHFFFAOYSA-N	1	0	360.458	1.515	20	30		FDEDRO
CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C#N)c(O)c1	ZINC000189225193	537013975	/nfs/dbraw/zinc/01/39/75/537013975.db2.gz	HSDMYTSTWHNDPF-NRFANRHFSA-N	1	0	365.433	1.973	20	30		FDEDRO
C[C@@H](O)C[NH+]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000189346100	537031532	/nfs/dbraw/zinc/03/15/32/537031532.db2.gz	GBONRGOTWKQRSH-CYBMUJFWSA-N	1	0	350.850	1.539	20	30		FDEDRO
CC(C)C(=O)NC[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000263716730	537077042	/nfs/dbraw/zinc/07/70/42/537077042.db2.gz	LEGIPPXWXWBOAN-GOSISDBHSA-N	1	0	356.470	1.659	20	30		FDEDRO
C[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2C#N)CC[N@@H+]1CC(C)(C)O	ZINC000189878217	537109768	/nfs/dbraw/zinc/10/97/68/537109768.db2.gz	NYOLVQCOEWJPTN-CYBMUJFWSA-N	1	0	364.877	1.927	20	30		FDEDRO
C=C(C)COc1cccc(NC(=O)C(=O)NCCCN2CC[NH+](C)CC2)c1	ZINC000263870289	537123825	/nfs/dbraw/zinc/12/38/25/537123825.db2.gz	JRMWKYWTQHRWBI-UHFFFAOYSA-N	1	0	374.485	1.334	20	30		FDEDRO
CN1CC[N@H+](CCCNC(=O)N2CCO[C@@H](C#N)C2)[C@@H](c2ccccc2)C1	ZINC000247579601	537137117	/nfs/dbraw/zinc/13/71/17/537137117.db2.gz	IGBHBISLBNUBFL-RBUKOAKNSA-N	1	0	371.485	1.299	20	30		FDEDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000264708251	537147534	/nfs/dbraw/zinc/14/75/34/537147534.db2.gz	CZDMNESUABIZGC-INIZCTEOSA-N	1	0	368.403	1.602	20	30		FDEDRO
C=CCNC(=O)c1ccc(N2CCN(c3cc(OC)cc[nH+]3)CC2)nc1	ZINC000264868852	537148953	/nfs/dbraw/zinc/14/89/53/537148953.db2.gz	ODQLCORUEMMXQB-UHFFFAOYSA-N	1	0	353.426	1.728	20	30		FDEDRO
COCCCOc1cccc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)c1	ZINC000264947482	537149969	/nfs/dbraw/zinc/14/99/69/537149969.db2.gz	JDGUYRBIYRTWFW-HNENSFHCSA-N	1	0	359.426	1.718	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)C2=O)cc1	ZINC000190249125	537157918	/nfs/dbraw/zinc/15/79/18/537157918.db2.gz	GMRVVKRRZOPFGS-QZTJIDSGSA-N	1	0	367.453	1.149	20	30		FDEDRO
CN(CCC[NH+](C)C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000190289354	537161923	/nfs/dbraw/zinc/16/19/23/537161923.db2.gz	UKDGIUDWNCWNEG-QGZVFWFLSA-N	1	0	357.458	1.252	20	30		FDEDRO
C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CCOC)C2)c1	ZINC000265765787	537172094	/nfs/dbraw/zinc/17/20/94/537172094.db2.gz	HOZQIWQJYHCIDV-INIZCTEOSA-N	1	0	361.442	1.417	20	30		FDEDRO
C#CCN(CC#C)C(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1	ZINC000190436961	537173255	/nfs/dbraw/zinc/17/32/55/537173255.db2.gz	HTMVBJFMQNPOKA-UHFFFAOYSA-N	1	0	355.463	1.269	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000248693394	537206748	/nfs/dbraw/zinc/20/67/48/537206748.db2.gz	BBSKQARYPGNTQH-IRXDYDNUSA-N	1	0	355.442	1.053	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1	ZINC000192154895	537221450	/nfs/dbraw/zinc/22/14/50/537221450.db2.gz	NYVQZJGFUUIYDE-MAUKXSAKSA-N	1	0	362.861	1.964	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1	ZINC000192210834	537221719	/nfs/dbraw/zinc/22/17/19/537221719.db2.gz	HOQDQYLMTOFLFP-SFHVURJKSA-N	1	0	357.429	1.388	20	30		FDEDRO
Cc1sc(NC(=O)CN2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c(C#N)c1C	ZINC000249430721	537235698	/nfs/dbraw/zinc/23/56/98/537235698.db2.gz	ZCMOAKKQSZLCOI-LBPRGKRZSA-N	1	0	364.515	1.952	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)c2ccnc(C#N)c2)CC1	ZINC000193250745	537243317	/nfs/dbraw/zinc/24/33/17/537243317.db2.gz	GQXDBRFLSAGJFY-UHFFFAOYSA-N	1	0	371.485	1.654	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)CC2)nc1	ZINC000194151044	537259428	/nfs/dbraw/zinc/25/94/28/537259428.db2.gz	XUCQRGNKEINTEO-INIZCTEOSA-N	1	0	354.458	1.269	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)CC2)nc1	ZINC000194151056	537259465	/nfs/dbraw/zinc/25/94/65/537259465.db2.gz	XUCQRGNKEINTEO-MRXNPFEDSA-N	1	0	354.458	1.269	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1	ZINC000285781755	537277037	/nfs/dbraw/zinc/27/70/37/537277037.db2.gz	YSLAPJYWBWRBNY-CVEARBPZSA-N	1	0	357.520	1.179	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1	ZINC000290250679	537300295	/nfs/dbraw/zinc/30/02/95/537300295.db2.gz	XVFHWGVBWUJJNN-LJQANCHMSA-N	1	0	355.486	1.582	20	30		FDEDRO
CN(C)C(=O)N1CCC([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000272603744	537303546	/nfs/dbraw/zinc/30/35/46/537303546.db2.gz	UTWKURJYISYOCZ-GOSISDBHSA-N	1	0	369.469	1.789	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1	ZINC000282310001	537309360	/nfs/dbraw/zinc/30/93/60/537309360.db2.gz	NGQCNDBJBWBDGN-YJBOKZPZSA-N	1	0	364.515	1.965	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[N@H+](CC)C[C@H](O)COc1ccc(CCOC)cc1	ZINC000293105112	537345521	/nfs/dbraw/zinc/34/55/21/537345521.db2.gz	YCGGZWOLRZKBKD-AEFFLSMTSA-N	1	0	362.470	1.075	20	30		FDEDRO
O=C1NC(=O)C2(CC[NH+](CC#Cc3ccc(OC(F)(F)F)cc3)CC2)N1	ZINC000270533547	537348335	/nfs/dbraw/zinc/34/83/35/537348335.db2.gz	PGDRMEBHJOOXHC-UHFFFAOYSA-N	1	0	367.327	1.611	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@H]([C@@H](C)O)C1)C(C)C	ZINC000283072031	537349338	/nfs/dbraw/zinc/34/93/38/537349338.db2.gz	FOSOWVNOTZUNIW-IXDOHACOSA-N	1	0	351.491	1.031	20	30		FDEDRO
C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3cccc(OCCCC#N)c3)C[C@H]2C1	ZINC000194924832	537349266	/nfs/dbraw/zinc/34/92/66/537349266.db2.gz	VPBDUILSQMZSAI-GASCZTMLSA-N	1	0	356.426	1.328	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2cc3c(s2)CCS(=O)(=O)C3)CC1	ZINC000363875685	537349518	/nfs/dbraw/zinc/34/95/18/537349518.db2.gz	MXNMJJUUWPZBOG-UHFFFAOYSA-N	1	0	368.524	1.989	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1	ZINC000283069750	537350331	/nfs/dbraw/zinc/35/03/31/537350331.db2.gz	USYJQFYOJQGLNQ-SJLPKXTDSA-N	1	0	364.515	1.619	20	30		FDEDRO
COC(=O)c1cn([C@@H]2CC[N@H+](Cc3ccc(O[C@H](C)C#N)cc3)C2)nn1	ZINC000363908487	537360906	/nfs/dbraw/zinc/36/09/06/537360906.db2.gz	OFYBGFFFBVJHAA-UKRRQHHQSA-N	1	0	355.398	1.803	20	30		FDEDRO
C=CCCCS(=O)(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1	ZINC000293190180	537381713	/nfs/dbraw/zinc/38/17/13/537381713.db2.gz	YURUFNFNWPZYGW-UHFFFAOYSA-N	1	0	351.516	1.820	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1	ZINC000283806211	537388704	/nfs/dbraw/zinc/38/87/04/537388704.db2.gz	HTBTZOQQAUKRCO-QGZVFWFLSA-N	1	0	368.481	1.921	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCN(C)c2ccccc2)CC1	ZINC000284232512	537403941	/nfs/dbraw/zinc/40/39/41/537403941.db2.gz	GZKALZXSHXRDDB-UHFFFAOYSA-N	1	0	358.486	1.396	20	30		FDEDRO
CCN1CCN(C(=O)CC2CCN(C(=O)c3cc(C#N)oc3C)CC2)CC1	ZINC000280519614	537425334	/nfs/dbraw/zinc/42/53/34/537425334.db2.gz	AWRYKSUKJBJKGL-UHFFFAOYSA-N	1	0	372.469	1.866	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Br)cc1C	ZINC000293369690	537432207	/nfs/dbraw/zinc/43/22/07/537432207.db2.gz	MCGUKIRBSQDKNJ-UHFFFAOYSA-N	1	0	366.259	1.767	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c(F)c1	ZINC000288114103	537453130	/nfs/dbraw/zinc/45/31/30/537453130.db2.gz	JOWSIGGNVFHSEW-LRDDRELGSA-N	1	0	361.392	1.970	20	30		FDEDRO
CS[C@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)C[C@H]1[NH+]1CCCC1	ZINC000273525378	537457537	/nfs/dbraw/zinc/45/75/37/537457537.db2.gz	QFAHDQWOXHNPLD-QAPCUYQASA-N	1	0	358.463	1.805	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc2c(cc1OCC)C[C@@H](C)O2	ZINC000293439460	537461855	/nfs/dbraw/zinc/46/18/55/537461855.db2.gz	RLYALZBNBCADOY-CQSZACIVSA-N	1	0	373.453	1.419	20	30		FDEDRO
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)n1	ZINC000271692712	537475391	/nfs/dbraw/zinc/47/53/91/537475391.db2.gz	UROBKEGEVAPLKW-OAHLLOKOSA-N	1	0	372.473	1.535	20	30		FDEDRO
N#Cc1cccc(C2([NH2+]CC(=O)N3CCN(C(=O)C4CC4)CC3)CC2)c1	ZINC000271750726	537492471	/nfs/dbraw/zinc/49/24/71/537492471.db2.gz	FQXITXTZEIGOQU-UHFFFAOYSA-N	1	0	352.438	1.218	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(NC(=O)NCC)c1C	ZINC000293523958	537501844	/nfs/dbraw/zinc/50/18/44/537501844.db2.gz	ZELKAPXOIXZLTK-UHFFFAOYSA-N	1	0	373.457	1.146	20	30		FDEDRO
C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc(C#N)cc2)C[C@H](C)O1	ZINC000299283387	537534238	/nfs/dbraw/zinc/53/42/38/537534238.db2.gz	WOYMPKOTMLPFIJ-KVPLUYHFSA-N	1	0	373.497	1.872	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)N=c2ccn(C3CC[NH+](C)CC3)[nH]2)n1	ZINC000365479287	537535863	/nfs/dbraw/zinc/53/58/63/537535863.db2.gz	VDDOSVKZKVMCBA-UHFFFAOYSA-N	1	0	369.473	2.034	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2C)C1=O	ZINC000281565091	537563593	/nfs/dbraw/zinc/56/35/93/537563593.db2.gz	WTSJNGVNNNOSGX-QGZVFWFLSA-N	1	0	372.469	1.240	20	30		FDEDRO
Cn1cc([C@@H]2C[N@H+](CCC(=O)Nc3sccc3C#N)C[C@H]2CO)cn1	ZINC000365658111	537568042	/nfs/dbraw/zinc/56/80/42/537568042.db2.gz	KJNBXKSVGQXITK-GJZGRUSLSA-N	1	0	359.455	1.390	20	30		FDEDRO
COC(=O)c1cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)ccc1C	ZINC000275796037	537574009	/nfs/dbraw/zinc/57/40/09/537574009.db2.gz	HARSCPUDCFKHMC-UHFFFAOYSA-N	1	0	374.441	1.414	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1=O	ZINC000284816526	537575256	/nfs/dbraw/zinc/57/52/56/537575256.db2.gz	POKVEMAGUHGLEZ-PMACEKPBSA-N	1	0	357.498	1.996	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccc(C#N)c(F)c1	ZINC000291427963	537589095	/nfs/dbraw/zinc/58/90/95/537589095.db2.gz	YEHLHNPEQRCEEI-CYBMUJFWSA-N	1	0	374.416	1.348	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C[NH2+]CC)CC2)cc1	ZINC000237042259	537607436	/nfs/dbraw/zinc/60/74/36/537607436.db2.gz	DUGFWTIOXAUMHG-UHFFFAOYSA-N	1	0	365.499	1.613	20	30		FDEDRO
CO/N=C/c1ccc(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1	ZINC000237111040	537612006	/nfs/dbraw/zinc/61/20/06/537612006.db2.gz	OJYGTKNBDJFCFE-XNOGWTHNSA-N	1	0	372.469	1.387	20	30		FDEDRO
Cc1noc([C@H](C)NC(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)n1	ZINC000329175983	537635551	/nfs/dbraw/zinc/63/55/51/537635551.db2.gz	BSWXTRBITRFPKZ-DZGCQCFKSA-N	1	0	350.467	1.455	20	30		FDEDRO
Cc1noc([C@@H]2CCCCN2C(=O)NCCN2CCOCC2(C)C)n1	ZINC000329416978	537636853	/nfs/dbraw/zinc/63/68/53/537636853.db2.gz	FWTNTCSGWPEXAG-AWEZNQCLSA-N	1	0	351.451	1.930	20	30		FDEDRO
O=C(NC[C@H]1CCCS(=O)(=O)C1)N1CCC([NH+]2CCCCC2)CC1	ZINC000329712077	537642039	/nfs/dbraw/zinc/64/20/39/537642039.db2.gz	PMUJURJBKOFBNN-OAHLLOKOSA-N	1	0	357.520	1.676	20	30		FDEDRO
CO[C@H]1COC[C@@H]1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000290016855	537649121	/nfs/dbraw/zinc/64/91/21/537649121.db2.gz	APKSCAFNERWDOE-GJZGRUSLSA-N	1	0	356.344	1.177	20	30		FDEDRO
Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1	ZINC000330341810	537654165	/nfs/dbraw/zinc/65/41/65/537654165.db2.gz	ZTGRKFGFPJMAKL-HFTRVMKXSA-N	1	0	361.490	1.855	20	30		FDEDRO
Cc1c([C@@H]2[C@H](C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)CC(=O)N2C)cnn1C	ZINC000330355312	537654945	/nfs/dbraw/zinc/65/49/45/537654945.db2.gz	QMXLDAJTMMILDV-JOQOYGCGSA-N	1	0	359.474	1.689	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@](C)(O)CN1c2ccccc2C(C)(C)C1=O	ZINC000294100664	537657353	/nfs/dbraw/zinc/65/73/53/537657353.db2.gz	YGSXZBWTURICLW-OAQYLSRUSA-N	1	0	371.481	1.133	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1cnn(CCO[C@@H]2CCCCO2)c1C	ZINC000294110309	537659660	/nfs/dbraw/zinc/65/96/60/537659660.db2.gz	ZAAYSFQFOAIGQN-GOSISDBHSA-N	1	0	362.474	1.420	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000246052596	537663820	/nfs/dbraw/zinc/66/38/20/537663820.db2.gz	ARGWLIMMLRERPG-MNZLEMJZSA-N	1	0	358.486	1.744	20	30		FDEDRO
CN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)C1(C#N)CCCCC1	ZINC000331194330	537665443	/nfs/dbraw/zinc/66/54/43/537665443.db2.gz	RKPHVXCJVKJVDW-HUUCEWRRSA-N	1	0	370.519	1.121	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H](CS(C)(=O)=O)C1	ZINC000292121891	537710219	/nfs/dbraw/zinc/71/02/19/537710219.db2.gz	GPSPSIIUIGFRQG-HZPDHXFCSA-N	1	0	363.483	1.688	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C	ZINC000295329794	537712211	/nfs/dbraw/zinc/71/22/11/537712211.db2.gz	OWWPLUSZIRZFRF-RDBSUJKOSA-N	1	0	368.478	1.622	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)n1	ZINC000285562424	537730612	/nfs/dbraw/zinc/73/06/12/537730612.db2.gz	HDEMSSFOCXLEGY-UHFFFAOYSA-N	1	0	353.430	1.114	20	30		FDEDRO
C[C@H]1C[C@H](NS(=O)(=O)c2cccnc2C#N)CN1Cc1ccccc1	ZINC000398090025	537792778	/nfs/dbraw/zinc/79/27/78/537792778.db2.gz	NVYOWFHBLKYPSY-HOCLYGCPSA-N	1	0	356.451	1.895	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CO	ZINC000366701136	537825213	/nfs/dbraw/zinc/82/52/13/537825213.db2.gz	LGLLXHTXWZIQIT-TVFCKZIOSA-N	1	0	351.491	1.598	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)cc1F	ZINC000418891965	537825744	/nfs/dbraw/zinc/82/57/44/537825744.db2.gz	VHMKSCCGYPXSTJ-FUHWJXTLSA-N	1	0	372.444	1.694	20	30		FDEDRO
N#C[C@@H]1CN(S(=O)(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCO1	ZINC000409551534	537859666	/nfs/dbraw/zinc/85/96/66/537859666.db2.gz	JIFOTKRPLXNCRV-MRXNPFEDSA-N	1	0	370.519	1.234	20	30		FDEDRO
N#Cc1cccnc1-n1cc(NC(=O)N2CC[NH+](C3CCC3)CC2)cn1	ZINC000372076467	537864242	/nfs/dbraw/zinc/86/42/42/537864242.db2.gz	BLDWKRFHZPRXIY-UHFFFAOYSA-N	1	0	351.414	1.841	20	30		FDEDRO
COC(=O)[C@@H]1CN(Cc2ccc(C#N)cc2OC(F)F)CC[N@H+](C)C1	ZINC000411900363	537891460	/nfs/dbraw/zinc/89/14/60/537891460.db2.gz	DTZHQMCOZODULY-AWEZNQCLSA-N	1	0	353.369	1.696	20	30		FDEDRO
COC(=O)c1ccnc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1	ZINC000414905324	537933371	/nfs/dbraw/zinc/93/33/71/537933371.db2.gz	NNZWLURACBJCHZ-UHFFFAOYSA-N	1	0	366.421	1.944	20	30		FDEDRO
N#CCNC(=O)CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1	ZINC000377030678	537952740	/nfs/dbraw/zinc/95/27/40/537952740.db2.gz	MDAQAUHCZDGKJN-MSOLQXFVSA-N	1	0	369.469	1.322	20	30		FDEDRO
Cc1ccc([C@H](CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)[NH+](C)C)cc1	ZINC000369219432	538004949	/nfs/dbraw/zinc/00/49/49/538004949.db2.gz	OAMSBDIJAPKOAK-MOPGFXCFSA-N	1	0	355.486	1.980	20	30		FDEDRO
CN(C)S(=O)(=O)N1CCC[N@H+](Cc2ccccc2C(C)(C)C#N)CC1	ZINC000377758733	538013975	/nfs/dbraw/zinc/01/39/75/538013975.db2.gz	GDTIOZKRRAZTNA-UHFFFAOYSA-N	1	0	364.515	1.802	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2=O)CC1	ZINC000369378612	538016298	/nfs/dbraw/zinc/01/62/98/538016298.db2.gz	TWAOGSFWSFSACI-GOSISDBHSA-N	1	0	357.429	1.783	20	30		FDEDRO
C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000415397393	538031359	/nfs/dbraw/zinc/03/13/59/538031359.db2.gz	RBOIQXJBHDRYBU-SNVBAGLBSA-N	1	0	354.332	1.583	20	30		FDEDRO
C[NH2+]C[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1	ZINC000417581632	538054170	/nfs/dbraw/zinc/05/41/70/538054170.db2.gz	TYVMEDIYHKUWHA-HOTGVXAUSA-N	1	0	359.449	1.917	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H](C(=O)N(C)C)C1)C(C)C	ZINC000413118419	538056566	/nfs/dbraw/zinc/05/65/66/538056566.db2.gz	UGIKLDHIXRSZOT-IAGOWNOFSA-N	1	0	350.507	1.805	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)n2)c(F)c1	ZINC000415466801	538065933	/nfs/dbraw/zinc/06/59/33/538065933.db2.gz	UROLFVGEZSLGOV-KGLIPLIRSA-N	1	0	354.389	2.241	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)C[NH2+]1	ZINC000415569122	538078604	/nfs/dbraw/zinc/07/86/04/538078604.db2.gz	RGOJBGRRLOSIED-UWVGGRQHSA-N	1	0	354.332	1.724	20	30		FDEDRO
N#Cc1ccccc1-c1ccc(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)cc1	ZINC000419635509	538088416	/nfs/dbraw/zinc/08/84/16/538088416.db2.gz	IXTYXMLQJBDWBY-IBGZPJMESA-N	1	0	362.433	1.695	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1C#N	ZINC000415874323	538092057	/nfs/dbraw/zinc/09/20/57/538092057.db2.gz	APADUWYRKWJLOO-SJLPKXTDSA-N	1	0	370.453	1.550	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1	ZINC000373228057	538093869	/nfs/dbraw/zinc/09/38/69/538093869.db2.gz	HELJZSSJQQJPBM-INIZCTEOSA-N	1	0	371.397	1.740	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(c3nc4c(cc3C#N)COCC4)CC2)c1	ZINC000450319920	538118841	/nfs/dbraw/zinc/11/88/41/538118841.db2.gz	ZUORFNWMZAAREK-UHFFFAOYSA-N	1	0	351.410	1.756	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)C(=O)N[C@H]3CCC[C@H]([NH3+])C3)CC2)cc1	ZINC000419867589	538124252	/nfs/dbraw/zinc/12/42/52/538124252.db2.gz	IEKFQQBSHGDCGJ-HOTGVXAUSA-N	1	0	370.453	1.314	20	30		FDEDRO
Cc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1S(=O)(=O)NCC#N	ZINC000426788746	538132560	/nfs/dbraw/zinc/13/25/60/538132560.db2.gz	PKDIIHGESRPHDL-AWEZNQCLSA-N	1	0	366.487	1.255	20	30		FDEDRO
N#Cc1cccc(OC2CCN(C(=O)C(=O)NCC[C@H]3CC[NH2+]C3)CC2)c1	ZINC000419906830	538141722	/nfs/dbraw/zinc/14/17/22/538141722.db2.gz	AREIRLNZGSOBMW-OAHLLOKOSA-N	1	0	370.453	1.044	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1	ZINC000419918041	538147230	/nfs/dbraw/zinc/14/72/30/538147230.db2.gz	TUWICTMJZQZNFB-CGTJXYLNSA-N	1	0	354.454	1.401	20	30		FDEDRO
CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	ZINC000419947633	538159638	/nfs/dbraw/zinc/15/96/38/538159638.db2.gz	DAHMSGVBQDCOOE-SQNIBIBYSA-N	1	0	356.470	1.774	20	30		FDEDRO
CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000419967054	538165595	/nfs/dbraw/zinc/16/55/95/538165595.db2.gz	ZVQSMJGOOXROMB-MRXNPFEDSA-N	1	0	372.469	1.418	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C(=O)Nc2cccc(OCC[NH+](C)C)c2)C1=O	ZINC000439349084	538172049	/nfs/dbraw/zinc/17/20/49/538172049.db2.gz	LZAFXKKUSCCMAP-KRWDZBQOSA-N	1	0	360.458	1.878	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC23CCSCC3)CC1	ZINC000422299089	538219164	/nfs/dbraw/zinc/21/91/64/538219164.db2.gz	SWLZEFGRJXVJID-CQSZACIVSA-N	1	0	351.516	1.403	20	30		FDEDRO
C=CCN(C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)C1CC1	ZINC000420100984	538219930	/nfs/dbraw/zinc/21/99/30/538219930.db2.gz	NMCLQDHORBDYDO-YOEHRIQHSA-N	1	0	363.408	1.704	20	30		FDEDRO
CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	ZINC000420127908	538231009	/nfs/dbraw/zinc/23/10/09/538231009.db2.gz	SJFLMHKGGSSNDB-KURKYZTESA-N	1	0	356.470	1.918	20	30		FDEDRO
COC[C@@]1(C(=O)OC)CC[N@H+](CCC(=O)Nc2sccc2C#N)C1	ZINC000451327907	538231387	/nfs/dbraw/zinc/23/13/87/538231387.db2.gz	IRJQCOAAQHYSFR-MRXNPFEDSA-N	1	0	351.428	1.460	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1	ZINC000424094872	538233810	/nfs/dbraw/zinc/23/38/10/538233810.db2.gz	VSOUCBADUCFDOI-QGZVFWFLSA-N	1	0	360.433	1.702	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NCC2(C)CC[NH2+]CC2)c1	ZINC000440870924	538289089	/nfs/dbraw/zinc/28/90/89/538289089.db2.gz	ZTKFIJCRLFRQPZ-UHFFFAOYSA-N	1	0	351.472	1.270	20	30		FDEDRO
N#CCCN(Cc1ccco1)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1	ZINC000446434533	538295655	/nfs/dbraw/zinc/29/56/55/538295655.db2.gz	KUGWYPPQHSWRIL-UHFFFAOYSA-N	1	0	364.365	1.741	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N(CCCC)[C@@H]1CCS(=O)(=O)C1	ZINC000451677698	538300528	/nfs/dbraw/zinc/30/05/28/538300528.db2.gz	HBOLXFJLKAFALB-OAGGEKHMSA-N	1	0	358.504	1.125	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1	ZINC000424553405	538327735	/nfs/dbraw/zinc/32/77/35/538327735.db2.gz	ZHFYBFMUBRNFSD-KSZLIROESA-N	1	0	359.470	1.633	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@]1(O)C[NH+]2CCC1CC2	ZINC000560506188	545528530	/nfs/dbraw/zinc/52/85/30/545528530.db2.gz	NFLAWTZUHAFNBP-ICSRJNTNSA-N	1	0	357.454	1.535	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)c(NC(C)=O)c2)CC1	ZINC000442305607	538361030	/nfs/dbraw/zinc/36/10/30/538361030.db2.gz	LPYFLSCFSURDQK-UHFFFAOYSA-N	1	0	358.442	1.659	20	30		FDEDRO
C[NH+]1CCC(CCO)(NC(=O)c2cc(-c3cccc(C#N)c3)no2)CC1	ZINC000447564501	538389362	/nfs/dbraw/zinc/38/93/62/538389362.db2.gz	XHTLVZGAPBTADU-UHFFFAOYSA-N	1	0	354.410	1.790	20	30		FDEDRO
Cc1cc(C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)ncc1C#N	ZINC000457649734	538504998	/nfs/dbraw/zinc/50/49/98/538504998.db2.gz	ORWRCQUFQJDCML-GOSISDBHSA-N	1	0	350.422	1.411	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1	ZINC000454097286	538508672	/nfs/dbraw/zinc/50/86/72/538508672.db2.gz	MLQBPXJXZZVCIM-KRWDZBQOSA-N	1	0	372.469	1.482	20	30		FDEDRO
CCC[N@H+](CC)C[C@H](C)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000461637287	538542103	/nfs/dbraw/zinc/54/21/03/538542103.db2.gz	NPKPVGNWIRSFQH-HNNXBMFYSA-N	1	0	365.499	1.710	20	30		FDEDRO
N#Cc1ccc(CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1F	ZINC000454431711	538555737	/nfs/dbraw/zinc/55/57/37/538555737.db2.gz	JAVHIBFTIPQMAR-HNNXBMFYSA-N	1	0	361.421	1.084	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNC(=O)c2ncc(C#N)cc2Cl)ccn1	ZINC000476985912	538579751	/nfs/dbraw/zinc/57/97/51/538579751.db2.gz	XHQOEXBFTRPEGH-UHFFFAOYSA-N	1	0	359.817	1.872	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)C1CCN(S(=O)(=O)CCCC#N)CC1	ZINC000462524562	538629531	/nfs/dbraw/zinc/62/95/31/538629531.db2.gz	IQZLZFBIISNION-UHFFFAOYSA-N	1	0	372.535	1.180	20	30		FDEDRO
CS[C@@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)C[C@@H]1[NH+]1CCCC1	ZINC000483394148	538699929	/nfs/dbraw/zinc/69/99/29/538699929.db2.gz	MXUSMJOWDLDCHX-DLBZAZTESA-N	1	0	372.494	1.326	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(S(=O)(=O)NC)cn2)CC1	ZINC000483867945	538736268	/nfs/dbraw/zinc/73/62/68/538736268.db2.gz	MOSJOPLUOHSZAM-UHFFFAOYSA-N	1	0	367.475	1.152	20	30		FDEDRO
C[C@@H]1CN(C(=O)CNc2cccc(C#N)c2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000497479277	538762240	/nfs/dbraw/zinc/76/22/40/538762240.db2.gz	ZGCDFAOHEZDMNW-APWZRJJASA-N	1	0	355.486	1.455	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCO[C@@H](C(C)C)C2)CC1	ZINC000561412995	545837875	/nfs/dbraw/zinc/83/78/75/545837875.db2.gz	WKJJSIJYGWGWEU-DLBZAZTESA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCO[C@@H]2c2ccccc2)CC1	ZINC000561414424	545838866	/nfs/dbraw/zinc/83/88/66/545838866.db2.gz	AQZMFCHMJMQWGO-QZTJIDSGSA-N	1	0	357.454	1.399	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCO[C@@H]2C(C)(C)C)CC1	ZINC000561415188	545839923	/nfs/dbraw/zinc/83/99/23/545839923.db2.gz	MQQXCEGAXWQRIO-WBVHZDCISA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCO[C@H]2C(C)(C)C)CC1	ZINC000561415185	545840144	/nfs/dbraw/zinc/84/01/44/545840144.db2.gz	MQQXCEGAXWQRIO-DOTOQJQBSA-N	1	0	365.518	1.711	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1	ZINC000562336428	546098644	/nfs/dbraw/zinc/09/86/44/546098644.db2.gz	NKJKRBLRTXXCLW-SFHVURJKSA-N	1	0	368.485	1.802	20	30		FDEDRO
N#Cc1ccc(Cc2cnc(NC(=O)NCCN3CC[NH2+]CC3)s2)cc1	ZINC000562746584	546252539	/nfs/dbraw/zinc/25/25/39/546252539.db2.gz	HRLXHUFSAJQBRN-UHFFFAOYSA-N	1	0	370.482	1.632	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)c1	ZINC000562800877	546273227	/nfs/dbraw/zinc/27/32/27/546273227.db2.gz	AQKUCTXFTDZDTD-UHFFFAOYSA-N	1	0	371.485	1.785	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)CC[N@@H+]1C	ZINC000562880811	546303544	/nfs/dbraw/zinc/30/35/44/546303544.db2.gz	RRWVBZAAHVLMHK-JKSUJKDBSA-N	1	0	369.469	1.064	20	30		FDEDRO
C[C@H](CN1CCC[C@H](C)C1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000562984193	546341257	/nfs/dbraw/zinc/34/12/57/546341257.db2.gz	ABBINCPZWGUFCT-LSDHHAIUSA-N	1	0	350.488	1.437	20	30		FDEDRO
CS(=O)(=O)CC1(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CCC1	ZINC000563006686	546351387	/nfs/dbraw/zinc/35/13/87/546351387.db2.gz	AJFSYIDXMUPXIC-UHFFFAOYSA-N	1	0	370.496	1.136	20	30		FDEDRO
N#Cc1ncn(CC[NH2+]C[C@@H](O)COc2ccccc2C(F)(F)F)n1	ZINC000563011550	546353564	/nfs/dbraw/zinc/35/35/64/546353564.db2.gz	PFYTUMBOBFZLHF-LLVKDONJSA-N	1	0	355.320	1.198	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCc3ccc(C#N)cc32)C[C@@H]1C	ZINC000563340516	546494393	/nfs/dbraw/zinc/49/43/93/546494393.db2.gz	CRTXAWUOXKXPLS-YOEHRIQHSA-N	1	0	354.454	1.779	20	30		FDEDRO
CC[NH2+]CCCNC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	ZINC000563477668	546551587	/nfs/dbraw/zinc/55/15/87/546551587.db2.gz	HEFODXNPRZCZRN-UHFFFAOYSA-N	1	0	357.439	1.736	20	30		FDEDRO
C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)c1ccc(NC(=O)NC2CC2)cc1	ZINC000563805379	546690670	/nfs/dbraw/zinc/69/06/70/546690670.db2.gz	FKJLCTKMQGVLFF-KSSFIOAISA-N	1	0	359.474	1.827	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1	ZINC000563827121	546700190	/nfs/dbraw/zinc/70/01/90/546700190.db2.gz	RBYHHKITGQHDKM-UHFFFAOYSA-N	1	0	371.485	1.618	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1	ZINC000563895875	546727193	/nfs/dbraw/zinc/72/71/93/546727193.db2.gz	XKVFNOCNIFCCJU-CJNGLKHVSA-N	1	0	354.414	1.239	20	30		FDEDRO
C[N@@H+]1CCN(CCNS(=O)(=O)c2ccc(C#N)cc2F)CC1(C)C	ZINC000563932836	546740505	/nfs/dbraw/zinc/74/05/05/546740505.db2.gz	FBGSWQMLARALDH-UHFFFAOYSA-N	1	0	354.451	1.002	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)NCc1ccc(CC#N)cc1)[N@@H+]1CCC[C@@H](C)C1	ZINC000564084259	546801899	/nfs/dbraw/zinc/80/18/99/546801899.db2.gz	SWRHPPVAFXSSNH-HZPDHXFCSA-N	1	0	356.470	1.605	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@@H](CO)c1ccc(Br)c(F)c1	ZINC000564210321	546845579	/nfs/dbraw/zinc/84/55/79/546845579.db2.gz	AVXHVHZCVYWALW-WFASDCNBSA-N	1	0	374.254	1.418	20	30		FDEDRO
COC(=O)c1ccc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c(C#N)n1	ZINC000564352155	546889459	/nfs/dbraw/zinc/88/94/59/546889459.db2.gz	YHHVCHVQMDMFST-HNNXBMFYSA-N	1	0	357.458	1.345	20	30		FDEDRO
C=CCOC[C@H](NC(=O)C1CCN(c2cc[nH+]cc2C)CC1)C(=O)OC	ZINC000564811125	547046843	/nfs/dbraw/zinc/04/68/43/547046843.db2.gz	IWEODYFKXOWUMS-INIZCTEOSA-N	1	0	361.442	1.467	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCc2nnc3ccccn32)cc1	ZINC000564848023	547064891	/nfs/dbraw/zinc/06/48/91/547064891.db2.gz	STENQBPUGARVAN-UHFFFAOYSA-N	1	0	369.450	1.597	20	30		FDEDRO
COC(=O)CC1([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1	ZINC000565052521	547175125	/nfs/dbraw/zinc/17/51/25/547175125.db2.gz	ZJXVRZBRVUZBNJ-UHFFFAOYSA-N	1	0	353.382	1.368	20	30		FDEDRO
CC[NH+]1CCC(CNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1	ZINC000565573295	547401804	/nfs/dbraw/zinc/40/18/04/547401804.db2.gz	BVQJMEUHMJUMIR-HNNXBMFYSA-N	1	0	371.489	1.300	20	30		FDEDRO
Cc1ccccc1C[C@H](CO)[NH2+]C[C@H](O)COc1ccc(CC#N)cc1	ZINC000565716263	547454412	/nfs/dbraw/zinc/45/44/12/547454412.db2.gz	BGTLVZPRPNYTGR-UXHICEINSA-N	1	0	354.450	1.994	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1	ZINC000565764193	547471361	/nfs/dbraw/zinc/47/13/61/547471361.db2.gz	XEGJEKXELFRATA-QGZVFWFLSA-N	1	0	367.540	1.816	20	30		FDEDRO
CCc1nnc(N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c(C#N)c1CC	ZINC000565814878	547491495	/nfs/dbraw/zinc/49/14/95/547491495.db2.gz	OPEYJTCJOUNFDM-CQSZACIVSA-N	1	0	356.474	1.264	20	30		FDEDRO
Cc1cc(Cl)c2ncc(C#N)c(N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)c2c1	ZINC000566488994	547778401	/nfs/dbraw/zinc/77/84/01/547778401.db2.gz	HDHSBLSLLWWROE-IUODEOHRSA-N	1	0	355.829	1.817	20	30		FDEDRO
N#Cc1cc(=NCC(=O)NCC[NH+]2CCCCCC2)[nH]c2ccccc12	ZINC000566539336	547797997	/nfs/dbraw/zinc/79/79/97/547797997.db2.gz	HKUCHGNJNGMAMO-UHFFFAOYSA-N	1	0	351.454	2.511	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@]3(CCSC3)C2)CC1	ZINC000566543861	547800010	/nfs/dbraw/zinc/80/00/10/547800010.db2.gz	GICZKAOQURHSFU-HKUYNNGSSA-N	1	0	364.559	1.898	20	30		FDEDRO
N#C[C@H]1CN(C(=O)NCCC2=CC[NH2+]CC2)CCN1Cc1ccccc1	ZINC000566611082	547825047	/nfs/dbraw/zinc/82/50/47/547825047.db2.gz	ZHCSWEBOOVJKDE-IBGZPJMESA-N	1	0	353.470	1.716	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1	ZINC000567009945	547962320	/nfs/dbraw/zinc/96/23/20/547962320.db2.gz	HTBYWIFGUIVPGN-QGZVFWFLSA-N	1	0	357.458	1.007	20	30		FDEDRO
C=CCn1c(-c2nnn(C)c2C)nnc1N1CC[NH+](C2CCCC2)CC1	ZINC000567015489	547964195	/nfs/dbraw/zinc/96/41/95/547964195.db2.gz	PABLBEYOVKDVGB-UHFFFAOYSA-N	1	0	356.478	1.633	20	30		FDEDRO
Cc1ccc([C@H](OC[C@@H](O)C[NH2+]CC(=O)NCC#N)c2ccccc2)cc1	ZINC000567707383	548222232	/nfs/dbraw/zinc/22/22/32/548222232.db2.gz	SASMZJJBKFMJKR-PZJWPPBQSA-N	1	0	367.449	1.691	20	30		FDEDRO
Cc1cc(N2CCC([NH2+]C[C@@H](O)COc3ccc(CC#N)cc3)CC2)n[nH]1	ZINC000567710186	548223517	/nfs/dbraw/zinc/22/35/17/548223517.db2.gz	GTPKWAHTOADDEW-GOSISDBHSA-N	1	0	369.469	1.783	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1	ZINC000567721698	548228633	/nfs/dbraw/zinc/22/86/33/548228633.db2.gz	KCNRBIRERQEHTO-OAHLLOKOSA-N	1	0	358.442	1.071	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H]([NH2+]C[C@@H](O)COc3ccccc3)C2=O)cc1	ZINC000567726827	548232033	/nfs/dbraw/zinc/23/20/33/548232033.db2.gz	ZNNCDCVMPFZVQE-QUCCMNQESA-N	1	0	365.433	1.689	20	30		FDEDRO
N#CCc1ccc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C[NH3+])C2=O)cc1	ZINC000567808371	548267757	/nfs/dbraw/zinc/26/77/57/548267757.db2.gz	OHUCGTJJVPVITP-AUUYWEPGSA-N	1	0	369.425	1.131	20	30		FDEDRO
N#CC1CCN(C(=O)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1	ZINC000568115942	548404257	/nfs/dbraw/zinc/40/42/57/548404257.db2.gz	ULBBJGFMPPZHCM-SFHVURJKSA-N	1	0	354.454	1.702	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]Cc2cccnc2N2CCOCC2)cc1	ZINC000568501065	548563005	/nfs/dbraw/zinc/56/30/05/548563005.db2.gz	OSDWRZWCKCIMFV-SFHVURJKSA-N	1	0	368.437	1.319	20	30		FDEDRO
C[S@](=O)Cc1ccc(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)cc1	ZINC000568874229	548715162	/nfs/dbraw/zinc/71/51/62/548715162.db2.gz	VFMINENETRUHSB-BVZFJXPGSA-N	1	0	358.463	1.966	20	30		FDEDRO
CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+]C[C@H]1CNc2c(C#N)cnn2C1	ZINC000569123050	548806297	/nfs/dbraw/zinc/80/62/97/548806297.db2.gz	SROCZKYXTXKRQT-QRTARXTBSA-N	1	0	355.446	1.694	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1	ZINC000569245305	548849712	/nfs/dbraw/zinc/84/97/12/548849712.db2.gz	ZOAPMGJGNNBOBD-UHFFFAOYSA-N	1	0	373.497	1.601	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(c2cnccc2C#N)CC1	ZINC000569298350	548865776	/nfs/dbraw/zinc/86/57/76/548865776.db2.gz	QXOYMWMVJGKIDP-PBHICJAKSA-N	1	0	354.458	1.268	20	30		FDEDRO
CC(C)N(CCC#N)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1	ZINC000569316577	548871330	/nfs/dbraw/zinc/87/13/30/548871330.db2.gz	JXHDKNIWUWFPTJ-UHFFFAOYSA-N	1	0	364.421	1.855	20	30		FDEDRO
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)n1	ZINC000569331095	548876710	/nfs/dbraw/zinc/87/67/10/548876710.db2.gz	YYEFDTXGVWKLNY-TZMCWYRMSA-N	1	0	370.844	2.471	20	30		FDEDRO
C[C@@H]1COCC[C@H]1[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000569657185	548996050	/nfs/dbraw/zinc/99/60/50/548996050.db2.gz	NXDRBBPQKIMCBS-BZUAXINKSA-N	1	0	362.499	1.472	20	30		FDEDRO
C[NH+](C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)CC(C)(C)CC#N	ZINC000570040129	549137922	/nfs/dbraw/zinc/13/79/22/549137922.db2.gz	SSQGURCMBRFMPR-UHFFFAOYSA-N	1	0	361.508	1.461	20	30		FDEDRO
Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000570152440	549176421	/nfs/dbraw/zinc/17/64/21/549176421.db2.gz	RUPBLGFPSJNJRV-QGZVFWFLSA-N	1	0	366.469	1.902	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)n(CCC#N)n1	ZINC000570244792	549209452	/nfs/dbraw/zinc/20/94/52/549209452.db2.gz	XUVGPHQNMJHQAK-AWEZNQCLSA-N	1	0	360.462	1.280	20	30		FDEDRO
Cc1ccnc(-c2noc(C[N@H+](C)CCCc3[nH]nc(N)c3C#N)n2)c1	ZINC000570249366	549211747	/nfs/dbraw/zinc/21/17/47/549211747.db2.gz	PRSPMJHFUHICSG-UHFFFAOYSA-N	1	0	352.402	1.682	20	30		FDEDRO
N#Cc1ccc(CN2CCN(CCNC(=O)c3ccccc3F)CC2)nc1	ZINC000570407418	549268978	/nfs/dbraw/zinc/26/89/78/549268978.db2.gz	ARPKLNJHOTUZQK-UHFFFAOYSA-N	1	0	367.428	1.640	20	30		FDEDRO
CC(=O)NCC[C@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000570994406	549486802	/nfs/dbraw/zinc/48/68/02/549486802.db2.gz	JYPXBZGTXKSJSI-IEBWSBKVSA-N	1	0	354.454	1.902	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1	ZINC000571162085	549548443	/nfs/dbraw/zinc/54/84/43/549548443.db2.gz	BRJADNALIJBZND-IRXDYDNUSA-N	1	0	364.877	1.851	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H](C)C[N@H+](C)C(C)C	ZINC000571485563	549662575	/nfs/dbraw/zinc/66/25/75/549662575.db2.gz	RYOUJNYNKNFRHG-AWEZNQCLSA-N	1	0	355.446	2.298	20	30		FDEDRO
CC(=O)N1CCC[N@H+](C[C@H]2CCCN(c3ccc(C#N)c(N)n3)C2)CC1	ZINC000571657137	549724412	/nfs/dbraw/zinc/72/44/12/549724412.db2.gz	KFDQGSDXKBFMLZ-MRXNPFEDSA-N	1	0	356.474	1.306	20	30		FDEDRO
C=C(C)[C@@H](NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)c1ccc(F)c(F)c1	ZINC000571659568	549726249	/nfs/dbraw/zinc/72/62/49/549726249.db2.gz	FYXPTDAUTYLXKV-MLGOLLRUSA-N	1	0	351.397	1.896	20	30		FDEDRO
C=C(C)[C@@H](NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)c1ccc(F)c(F)c1	ZINC000571659564	549726687	/nfs/dbraw/zinc/72/66/87/549726687.db2.gz	FYXPTDAUTYLXKV-BLLLJJGKSA-N	1	0	351.397	1.896	20	30		FDEDRO
N#Cc1cccc(-c2cc(C(=O)NC[C@@]3(O)C[NH+]4CCC3CC4)on2)c1	ZINC000571775098	549760331	/nfs/dbraw/zinc/76/03/31/549760331.db2.gz	PNXYLCPBHHAGQY-LJQANCHMSA-N	1	0	352.394	1.400	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)NCC[C@@H]3CC[NH2+]C3)C2=O)cc1	ZINC000572134973	549850011	/nfs/dbraw/zinc/85/00/11/549850011.db2.gz	NCWQGESJAUEZKK-RDJZCZTQSA-N	1	0	355.442	1.352	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)n2)c(F)c1	ZINC000572224730	549868087	/nfs/dbraw/zinc/86/80/87/549868087.db2.gz	LXEOSVFEKURXPM-KGLIPLIRSA-N	1	0	354.389	1.956	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)NC1CCCC1	ZINC000572564646	549943592	/nfs/dbraw/zinc/94/35/92/549943592.db2.gz	QORLRWWBGCZUBZ-UHFFFAOYSA-N	1	0	350.488	1.699	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+][C@@H](CN3CCOCC3)c3ccccc3)cnc12	ZINC000572942201	550029199	/nfs/dbraw/zinc/02/91/99/550029199.db2.gz	BGCXMVGGFWFJPA-IBGZPJMESA-N	1	0	362.437	1.764	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1	ZINC000573134857	550072722	/nfs/dbraw/zinc/07/27/22/550072722.db2.gz	VYBXVZOEAWTVHF-HNNXBMFYSA-N	1	0	362.499	1.550	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H]1C[C@H](O)C1(C)C	ZINC000573217846	550090201	/nfs/dbraw/zinc/09/02/01/550090201.db2.gz	SAIOMBXDBUSHCV-CVEARBPZSA-N	1	0	362.474	1.701	20	30		FDEDRO
COC(=O)c1ccc(C[NH2+]CCn2cnc(C#N)n2)c(Br)c1	ZINC000573288324	550104503	/nfs/dbraw/zinc/10/45/03/550104503.db2.gz	VTAPZJJLBPBIOG-UHFFFAOYSA-N	1	0	364.203	1.489	20	30		FDEDRO
CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CCN(c2cnccc2C#N)CC1	ZINC000573466256	550145359	/nfs/dbraw/zinc/14/53/59/550145359.db2.gz	NTTYHWYUXGHHKA-KRWDZBQOSA-N	1	0	356.474	1.563	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H](O)Cc2cccc(F)c2)cc1	ZINC000573564839	550165661	/nfs/dbraw/zinc/16/56/61/550165661.db2.gz	KVSMROOLHMKJSL-RBUKOAKNSA-N	1	0	358.413	1.825	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCNS(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000573757743	550206143	/nfs/dbraw/zinc/20/61/43/550206143.db2.gz	PHEWVGXESUUDMK-UHFFFAOYSA-N	1	0	356.467	1.000	20	30		FDEDRO
C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)N1CCCC[C@H]1C	ZINC000573760982	550206658	/nfs/dbraw/zinc/20/66/58/550206658.db2.gz	SNUYZEZXZKIBFO-CABCVRRESA-N	1	0	350.488	1.579	20	30		FDEDRO
N#Cc1ccc(OC2CCC(NC(=O)NCC3=CC[NH2+]CC3)CC2)nc1	ZINC000573786452	550210783	/nfs/dbraw/zinc/21/07/83/550210783.db2.gz	KCQPJRRYZYIFBH-UHFFFAOYSA-N	1	0	355.442	1.862	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)cc1	ZINC000573962944	550238634	/nfs/dbraw/zinc/23/86/34/550238634.db2.gz	PUCGOLWHFZSVDB-OAHLLOKOSA-N	1	0	354.414	1.198	20	30		FDEDRO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CC(C)(C(N)=O)C3)sc2C1	ZINC000574036592	550250059	/nfs/dbraw/zinc/25/00/59/550250059.db2.gz	WQDONLRBJITOAO-LLVKDONJSA-N	1	0	360.483	1.880	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]C1CCC(Oc2ncccc2C#N)CC1	ZINC000574150982	550265765	/nfs/dbraw/zinc/26/57/65/550265765.db2.gz	MHZRDHXONLXVCZ-ADKAHSJRSA-N	1	0	357.458	1.439	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H](O)Cc2cccc(F)c2)cc1	ZINC000574324361	550296207	/nfs/dbraw/zinc/29/62/07/550296207.db2.gz	XSEJTWNXQBBXMS-QGZVFWFLSA-N	1	0	362.426	1.664	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1C#N	ZINC000574465086	550318693	/nfs/dbraw/zinc/31/86/93/550318693.db2.gz	AJXFTRBANRKPRZ-IAGOWNOFSA-N	1	0	364.471	1.169	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+][C@@H](CO)Cc2ccc(F)cc2)cc1	ZINC000574519755	550327686	/nfs/dbraw/zinc/32/76/86/550327686.db2.gz	ZZLBEIBPZIKMKK-MOPGFXCFSA-N	1	0	358.413	1.825	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CC[C@]4(CC[N@@H+](C)C4)C3)cc2C1=O	ZINC000574780153	550369092	/nfs/dbraw/zinc/36/90/92/550369092.db2.gz	YOOKOTCPWSDWFA-FQEVSTJZSA-N	1	0	353.422	1.636	20	30		FDEDRO
N#Cc1csc(CN2C(=O)N[C@]3(CC[N@H+](Cc4ccccc4)C3)C2=O)n1	ZINC000574784142	550369977	/nfs/dbraw/zinc/36/99/77/550369977.db2.gz	WYZWSHKLPAMZNM-SFHVURJKSA-N	1	0	367.434	1.711	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(C)n(C)c2=O)c(OC)c1	ZINC000574803765	550373401	/nfs/dbraw/zinc/37/34/01/550373401.db2.gz	MUEFGNFPGZDWBM-GOSISDBHSA-N	1	0	372.465	1.960	20	30		FDEDRO
N#Cc1cc(CN2CCOCC2)cn(Cc2nc(C3CCCC3)no2)c1=O	ZINC000575196284	550442641	/nfs/dbraw/zinc/44/26/41/550442641.db2.gz	HXEUURDBDPIVFB-UHFFFAOYSA-N	1	0	369.425	1.641	20	30		FDEDRO
C=CCOc1cc(OC)ccc1C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1	ZINC000575399699	550459994	/nfs/dbraw/zinc/45/99/94/550459994.db2.gz	QVLYZVFNRIVMFB-UHFFFAOYSA-N	1	0	358.402	1.040	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCNS(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000575485262	550464946	/nfs/dbraw/zinc/46/49/46/550464946.db2.gz	TYZJZXRSVKYGGO-UHFFFAOYSA-N	1	0	356.467	1.000	20	30		FDEDRO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCOC[C@H](O)C3)sc2C1	ZINC000576791062	550585905	/nfs/dbraw/zinc/58/59/05/550585905.db2.gz	WMVQOGHCLCBCKW-CHWSQXEVSA-N	1	0	363.483	1.766	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C1	ZINC000576894357	550597633	/nfs/dbraw/zinc/59/76/33/550597633.db2.gz	JVMNWFWYDGIHTE-OAHLLOKOSA-N	1	0	366.469	1.717	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1	ZINC000576902440	550598456	/nfs/dbraw/zinc/59/84/56/550598456.db2.gz	ALAHDXGKOUJUQG-ZWKOTPCHSA-N	1	0	365.518	1.808	20	30		FDEDRO
CC(C)[C@H]1OCCC[C@@H]1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000577098292	550620213	/nfs/dbraw/zinc/62/02/13/550620213.db2.gz	TTWAKYXFFRRZPI-NVXWUHKLSA-N	1	0	351.472	1.768	20	30		FDEDRO
C=CCSc1ccccc1NC(=O)CN1C(=O)N[C@@]2(CCC[NH2+]C2)C1=O	ZINC000577218747	550633533	/nfs/dbraw/zinc/63/35/33/550633533.db2.gz	JFWZMTAOBWDXCQ-GOSISDBHSA-N	1	0	374.466	1.577	20	30		FDEDRO
C[C@H](CCNC(=O)C(=O)Nc1cccc(C#N)n1)[N@H+](C)Cc1ccccc1	ZINC000577394179	550651713	/nfs/dbraw/zinc/65/17/13/550651713.db2.gz	TVNXMQGNLNWUGM-OAHLLOKOSA-N	1	0	365.437	1.919	20	30		FDEDRO
C[C@H]1CC2(CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)CC[NH2+]CC2	ZINC000577501829	550663564	/nfs/dbraw/zinc/66/35/64/550663564.db2.gz	ODIHSOGCRMPTOC-LBPRGKRZSA-N	1	0	364.427	1.619	20	30		FDEDRO
C=CCn1c(SC[C@H](O)C[N@@H+](C)CCOC)nc2ccccc2c1=O	ZINC000577510145	550664999	/nfs/dbraw/zinc/66/49/99/550664999.db2.gz	KFPLDQVANPBDBI-CQSZACIVSA-N	1	0	363.483	1.614	20	30		FDEDRO
COc1ccc(C(=O)NCCN2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)cc1	ZINC000577656143	550680497	/nfs/dbraw/zinc/68/04/97/550680497.db2.gz	QBMOFOBJFWLBMJ-SJLPKXTDSA-N	1	0	356.470	1.735	20	30		FDEDRO
N#CC1CCC(CNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1	ZINC000577712785	550685988	/nfs/dbraw/zinc/68/59/88/550685988.db2.gz	KATZMDJHSMRGLB-OFLPRAFFSA-N	1	0	361.490	1.170	20	30		FDEDRO
C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccc2c(c1)OCO2	ZINC000578260082	550745738	/nfs/dbraw/zinc/74/57/38/550745738.db2.gz	KPFJIDFCKVWURE-GFCCVEGCSA-N	1	0	359.407	1.806	20	30		FDEDRO
COc1cc(C[NH2+][C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)ccc1C#N	ZINC000578590297	550779612	/nfs/dbraw/zinc/77/96/12/550779612.db2.gz	XLSBDQVODOKBSN-NVXWUHKLSA-N	1	0	350.440	1.393	20	30		FDEDRO
C=CCn1c(C2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000578820922	550804867	/nfs/dbraw/zinc/80/48/67/550804867.db2.gz	TZMRWKKKXRPYIO-QGZVFWFLSA-N	1	0	372.517	1.865	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1	ZINC000579431731	550872561	/nfs/dbraw/zinc/87/25/61/550872561.db2.gz	NNOVPFKPTKUOIT-MJQMVNBJSA-N	1	0	350.507	1.662	20	30		FDEDRO
C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)NCc1ccc(CC#N)cc1	ZINC000579472917	550877431	/nfs/dbraw/zinc/87/74/31/550877431.db2.gz	WISPXUUOFFMKEY-IYBDPMFKSA-N	1	0	356.470	1.748	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCc3nc(C)nn3C2)c(OC)c1	ZINC000580230996	550957534	/nfs/dbraw/zinc/95/75/34/550957534.db2.gz	YPMTXCHQYPSPOC-DLBZAZTESA-N	1	0	372.469	1.668	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1C[C@@H](C)OC(C)(C)C1)C(C)C	ZINC000580338184	550969138	/nfs/dbraw/zinc/96/91/38/550969138.db2.gz	MWDMSIMWKKUVRG-SJORKVTESA-N	1	0	365.518	1.827	20	30		FDEDRO
C=C(C)Cn1c(C(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1	ZINC000580585906	550997867	/nfs/dbraw/zinc/99/78/67/550997867.db2.gz	ZLQRTNARGCJSQI-HNNXBMFYSA-N	1	0	360.506	1.767	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)n1cnc(C#N)n1	ZINC000580710932	551010564	/nfs/dbraw/zinc/01/05/64/551010564.db2.gz	UUXKIDNCXXQAKY-HYVNUMGLSA-N	1	0	350.426	1.444	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)cc1C(F)(F)F	ZINC000581239040	551066886	/nfs/dbraw/zinc/06/68/86/551066886.db2.gz	LGLFXKYNOFRBEB-SNVBAGLBSA-N	1	0	354.332	1.713	20	30		FDEDRO
N#CCc1ccc(CNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1	ZINC000581308729	551074455	/nfs/dbraw/zinc/07/44/55/551074455.db2.gz	CIPIPAXQFCGJNJ-SFHVURJKSA-N	1	0	369.469	1.106	20	30		FDEDRO
Cc1nsc(N2CCN(CCC(=O)Nc3cccnc3)CC2)c1C#N	ZINC000581457596	551090340	/nfs/dbraw/zinc/09/03/40/551090340.db2.gz	CDCJXWDJJOBQQB-UHFFFAOYSA-N	1	0	356.455	1.869	20	30		FDEDRO
N#C[C@H]1CN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CCN1Cc1ccccc1	ZINC000581495796	551096117	/nfs/dbraw/zinc/09/61/17/551096117.db2.gz	PBXJFYOAEMTXLF-JKSUJKDBSA-N	1	0	363.412	1.403	20	30		FDEDRO
C[C@H]([NH3+])C1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000581993017	551160072	/nfs/dbraw/zinc/16/00/72/551160072.db2.gz	WIFNTGZADFUQDJ-KSSFIOAISA-N	1	0	369.469	1.428	20	30		FDEDRO
N#CCCC1CC[NH+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1	ZINC000582485100	551230656	/nfs/dbraw/zinc/23/06/56/551230656.db2.gz	XASQTCFAXQWXNI-QGZVFWFLSA-N	1	0	356.426	1.880	20	30		FDEDRO
C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000582723991	551259844	/nfs/dbraw/zinc/25/98/44/551259844.db2.gz	XKBMNXACPDTWEM-QWHCGFSZSA-N	1	0	372.429	1.764	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1F	ZINC000583630870	551379667	/nfs/dbraw/zinc/37/96/67/551379667.db2.gz	XWADNUQCTWQIEV-ZDUSSCGKSA-N	1	0	353.419	1.073	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+]C2CCC(C(N)=O)CC2)c(OC)c1	ZINC000583688529	551387864	/nfs/dbraw/zinc/38/78/64/551387864.db2.gz	NMEZHQVQTIARER-OFLPRAFFSA-N	1	0	362.470	1.797	20	30		FDEDRO
COC[C@H](C)OC[C@@H](O)C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000583929336	551422028	/nfs/dbraw/zinc/42/20/28/551422028.db2.gz	CQDZQDDLCUHQCQ-VNCIIQTRSA-N	1	0	363.458	1.645	20	30		FDEDRO
Cn1c(S[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(C#N)c(=O)n(C)c1=O	ZINC000584109325	551448521	/nfs/dbraw/zinc/44/85/21/551448521.db2.gz	OBTRWVOPHJCEFL-OAHLLOKOSA-N	1	0	370.478	1.712	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H]1CCCc2cc(C#N)ccc21	ZINC000584399584	551490934	/nfs/dbraw/zinc/49/09/34/551490934.db2.gz	WIHOEYUXXICCNO-KXBFYZLASA-N	1	0	355.486	1.871	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](NC(=O)NCC[C@@H]3CCC[NH2+]C3)C2=O)cc1	ZINC000584400178	551491019	/nfs/dbraw/zinc/49/10/19/551491019.db2.gz	GQYURMZUJNGGSF-FUHWJXTLSA-N	1	0	369.469	1.348	20	30		FDEDRO
CC1CC[NH+](CCCCNC(=O)C(=O)NCc2ccc(CC#N)cc2)CC1	ZINC000584528641	551512386	/nfs/dbraw/zinc/51/23/86/551512386.db2.gz	IOUFYDQSYOBKBB-UHFFFAOYSA-N	1	0	370.497	1.997	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1	ZINC000584828043	551555376	/nfs/dbraw/zinc/55/53/76/551555376.db2.gz	KQCWCKJTPYNFFT-ZWKOTPCHSA-N	1	0	359.470	1.462	20	30		FDEDRO
C=CCCOCC(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1	ZINC000585708782	551585289	/nfs/dbraw/zinc/58/52/89/551585289.db2.gz	ZWFDXGVWRADFNW-UHFFFAOYSA-N	1	0	359.470	1.958	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)c1cccc(C#N)c1	ZINC000585723107	551587923	/nfs/dbraw/zinc/58/79/23/551587923.db2.gz	XYXLABXCPCIWIS-FZKQIMNGSA-N	1	0	360.483	1.289	20	30		FDEDRO
C[C@H]1CCC[C@@](CNC(=O)C(=O)NCc2ccc(C#N)cc2F)([NH+](C)C)C1	ZINC000585775501	551597471	/nfs/dbraw/zinc/59/74/71/551597471.db2.gz	JZSABBZMPGLZKC-VBKZILBWSA-N	1	0	374.460	1.940	20	30		FDEDRO
C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2ccc(C#N)cc2F)C1	ZINC000585777733	551598475	/nfs/dbraw/zinc/59/84/75/551598475.db2.gz	STINBBOGXFDZGS-AWEZNQCLSA-N	1	0	374.460	1.940	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C3(c4cc(F)cc(C#N)c4)CC3)CC2)C1	ZINC000586782152	551618630	/nfs/dbraw/zinc/61/86/30/551618630.db2.gz	LFIIJUDVGBJICX-LJQANCHMSA-N	1	0	370.472	1.967	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c(F)c1	ZINC000586864941	551628135	/nfs/dbraw/zinc/62/81/35/551628135.db2.gz	SPDFIGWPDYOVKE-KRWDZBQOSA-N	1	0	372.444	1.790	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1cccc(C#N)c1	ZINC000587732202	551635652	/nfs/dbraw/zinc/63/56/52/551635652.db2.gz	RWINDCGJZMZRME-QAPCUYQASA-N	1	0	354.454	1.822	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1	ZINC000588056478	551644183	/nfs/dbraw/zinc/64/41/83/551644183.db2.gz	FXMCVDYAPMNOSC-IBGZPJMESA-N	1	0	368.481	1.897	20	30		FDEDRO
CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@@H](O)COc3ccc(C#N)cc3)[C@@H]2C1	ZINC000588979356	551702897	/nfs/dbraw/zinc/70/28/97/551702897.db2.gz	QBKQHUOEOTYQDX-CUDHKJQZSA-N	1	0	357.454	1.535	20	30		FDEDRO
COc1cc(CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)ccc1C#N	ZINC000589625095	551739029	/nfs/dbraw/zinc/73/90/29/551739029.db2.gz	MIMJMXGAUPBSCT-UHFFFAOYSA-N	1	0	351.410	1.994	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1	ZINC000589886830	551749473	/nfs/dbraw/zinc/74/94/73/551749473.db2.gz	GUBFPLBCRFGNRI-QGZVFWFLSA-N	1	0	354.458	1.269	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1	ZINC000590193175	551764193	/nfs/dbraw/zinc/76/41/93/551764193.db2.gz	ICUJGRFCDSYLTE-QUCCMNQESA-N	1	0	361.534	1.096	20	30		FDEDRO
N#CCCn1ncc(C(=O)N[C@H](CO)C[NH+]2CCCC2)c1-c1ccccc1	ZINC000590371639	551776517	/nfs/dbraw/zinc/77/65/17/551776517.db2.gz	PLDLDIVLMVBAMR-KRWDZBQOSA-N	1	0	367.453	1.650	20	30		FDEDRO
N#CCCN(C(=O)CCC(=O)N[C@@H](CO)C[NH+]1CCCC1)c1ccccc1	ZINC000590372217	551776763	/nfs/dbraw/zinc/77/67/63/551776763.db2.gz	YUTIEXZLCXSFJF-QGZVFWFLSA-N	1	0	372.469	1.286	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21	ZINC000590442411	551784965	/nfs/dbraw/zinc/78/49/65/551784965.db2.gz	GMLCPXSFVDWOMO-RHSMWYFYSA-N	1	0	352.442	1.313	20	30		FDEDRO
COC(=O)c1nccc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000590571446	551793714	/nfs/dbraw/zinc/79/37/14/551793714.db2.gz	ABBWBZSVWAAUFL-UHFFFAOYSA-N	1	0	351.410	1.847	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1	ZINC000590631876	551800328	/nfs/dbraw/zinc/80/03/28/551800328.db2.gz	CBEGJOAJDQFSCD-UONOGXRCSA-N	1	0	360.845	1.775	20	30		FDEDRO
Cc1nn(-c2ccccc2)c(CN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c1C#N	ZINC000590758918	551813240	/nfs/dbraw/zinc/81/32/40/551813240.db2.gz	MQONMLXLPVWDSV-IYBDPMFKSA-N	1	0	353.470	1.939	20	30		FDEDRO
CN1CCC([N@@H+]2CC[C@H](NC(=O)NCc3ccc(C#N)c(F)c3)C2)CC1	ZINC000590806465	551818910	/nfs/dbraw/zinc/81/89/10/551818910.db2.gz	IIQPDAGWHVITDJ-INIZCTEOSA-N	1	0	359.449	1.665	20	30		FDEDRO
CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1	ZINC000590831705	551820774	/nfs/dbraw/zinc/82/07/74/551820774.db2.gz	MZYBIKLANOXOCM-DZGCQCFKSA-N	1	0	364.471	1.930	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)C1=O	ZINC000591031747	551837427	/nfs/dbraw/zinc/83/74/27/551837427.db2.gz	CFHPRHIALOZPCA-ULQDDVLXSA-N	1	0	374.510	1.958	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C4CCC4)C3)CC2)o1	ZINC000591063368	551840604	/nfs/dbraw/zinc/84/06/04/551840604.db2.gz	RXFGQZDZOPDZAF-MRXNPFEDSA-N	1	0	357.458	1.625	20	30		FDEDRO
COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC[N@H+](C)C1	ZINC000591225136	551852039	/nfs/dbraw/zinc/85/20/39/551852039.db2.gz	JOEKSIILELZWRA-FUHWJXTLSA-N	1	0	370.453	1.090	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CCO1	ZINC000591297778	551857903	/nfs/dbraw/zinc/85/79/03/551857903.db2.gz	SPODLKPJKLQZGD-XHDPSFHLSA-N	1	0	374.832	1.977	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CN(C(=O)Nc2ccc(C#N)c(Br)c2)CCO1	ZINC000591306586	551859868	/nfs/dbraw/zinc/85/98/68/551859868.db2.gz	QMZVEHZQSJWTKR-ZANVPECISA-N	1	0	353.220	1.901	20	30		FDEDRO
Cc1c(C(=O)NCC2(C#N)CCC2)nnn1-c1cccc2c1CC[N@@H+](C)C2	ZINC000591323086	551861480	/nfs/dbraw/zinc/86/14/80/551861480.db2.gz	QYGIBHJUMVHKNR-UHFFFAOYSA-N	1	0	364.453	1.987	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCOC4(C[NH2+]C4)C3)C2)c(F)c1	ZINC000591351752	551864971	/nfs/dbraw/zinc/86/49/71/551864971.db2.gz	SEEVIPMWGJEPFZ-OAHLLOKOSA-N	1	0	373.432	1.050	20	30		FDEDRO
N#CC1CCC(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1	ZINC000591357765	551865586	/nfs/dbraw/zinc/86/55/86/551865586.db2.gz	DRVDABVRJUWGOA-JXQTWKCFSA-N	1	0	361.412	1.452	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@@H](C)[C@H]3CCC[NH2+]C3)CC2)c1C#N	ZINC000591359144	551865994	/nfs/dbraw/zinc/86/59/94/551865994.db2.gz	QNQQTQINXXVEQF-JSGCOSHPSA-N	1	0	362.503	1.543	20	30		FDEDRO
N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)NC/C=C\C[NH3+]	ZINC000591360865	551866162	/nfs/dbraw/zinc/86/61/62/551866162.db2.gz	BLKDDQXNRONDOM-PLNGDYQASA-N	1	0	353.430	1.073	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@H](C[NH3+])C2CCCC2)CC1	ZINC000591361265	551866266	/nfs/dbraw/zinc/86/62/66/551866266.db2.gz	PJUOJMFRZOAHDZ-OAHLLOKOSA-N	1	0	372.473	1.773	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1	ZINC000591362173	551866466	/nfs/dbraw/zinc/86/64/66/551866466.db2.gz	ZZYBIBVEFNVITN-TZMCWYRMSA-N	1	0	358.446	1.383	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1)c1cccc(C#N)c1	ZINC000591404304	551868185	/nfs/dbraw/zinc/86/81/85/551868185.db2.gz	NGRROHVPJLBQQM-CQSZACIVSA-N	1	0	354.454	1.726	20	30		FDEDRO
N#Cc1cccc(OC2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]CC3)CC2)c1	ZINC000591423364	551869579	/nfs/dbraw/zinc/86/95/79/551869579.db2.gz	XBNRFZQBWHDGBQ-INIZCTEOSA-N	1	0	370.453	1.186	20	30		FDEDRO
CN(C[C@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000591471877	551873423	/nfs/dbraw/zinc/87/34/23/551873423.db2.gz	WJHJZQMMCPTIHW-QZTJIDSGSA-N	1	0	369.469	1.395	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1	ZINC000591576904	551881088	/nfs/dbraw/zinc/88/10/88/551881088.db2.gz	MCHYHWPNZBPPGD-ZWKOTPCHSA-N	1	0	354.454	1.659	20	30		FDEDRO
N#CC1(CS(=O)(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](O)C2)CCCCC1	ZINC000591632809	551887745	/nfs/dbraw/zinc/88/77/45/551887745.db2.gz	JDCWKKXUKYKKPV-XHSDSOJGSA-N	1	0	355.504	1.368	20	30		FDEDRO
Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@@H](O)CN(C)CCC#N	ZINC000591723176	551903325	/nfs/dbraw/zinc/90/33/25/551903325.db2.gz	JWBQEUOXICYYHS-LJQANCHMSA-N	1	0	355.486	1.844	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCN2CCCc3ccccc32)nc1	ZINC000591728275	551903852	/nfs/dbraw/zinc/90/38/52/551903852.db2.gz	GUTORJTWYHGAOV-UHFFFAOYSA-N	1	0	370.478	1.769	20	30		FDEDRO
COc1cccc2c1OC[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)C2	ZINC000591733859	551904802	/nfs/dbraw/zinc/90/48/02/551904802.db2.gz	WGSQXXKTCPRHRU-DLBZAZTESA-N	1	0	354.406	1.900	20	30		FDEDRO
N#CCN1CCC([NH2+]C[C@@H](O)COc2cccc(Br)c2)CC1	ZINC000591736272	551904812	/nfs/dbraw/zinc/90/48/12/551904812.db2.gz	MWHVDTGMRPNPGX-OAHLLOKOSA-N	1	0	368.275	1.766	20	30		FDEDRO
CC(C)[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccnn1C	ZINC000591763539	551907036	/nfs/dbraw/zinc/90/70/36/551907036.db2.gz	ZTZHVKPHOZPZCY-HNNXBMFYSA-N	1	0	361.471	1.490	20	30		FDEDRO
CC(C)[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccnn1C	ZINC000591763540	551907047	/nfs/dbraw/zinc/90/70/47/551907047.db2.gz	ZTZHVKPHOZPZCY-OAHLLOKOSA-N	1	0	361.471	1.490	20	30		FDEDRO
CC(C)[C@H]1C[C@@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CCO1	ZINC000591770521	551907539	/nfs/dbraw/zinc/90/75/39/551907539.db2.gz	FWOPRSHGJWCVHZ-GOEBONIOSA-N	1	0	351.472	1.768	20	30		FDEDRO
COc1cccc([C@H](CNC(=O)N2CC[C@](O)(CC#N)C2)[NH+]2CCCC2)c1	ZINC000591896496	551914031	/nfs/dbraw/zinc/91/40/31/551914031.db2.gz	MWCKHUWQOGYADR-AZUAARDMSA-N	1	0	372.469	1.892	20	30		FDEDRO
COc1cc(OC)cc([C@H](NC(=O)[C@H]([NH3+])CCCC#N)c2nccn2C)c1	ZINC000591967308	551921432	/nfs/dbraw/zinc/92/14/32/551921432.db2.gz	KURXZDQJKFDFTJ-SJORKVTESA-N	1	0	371.441	1.664	20	30		FDEDRO
Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3CC[C@@](O)(CC#N)C3)CC2)cc1	ZINC000592148215	551949472	/nfs/dbraw/zinc/94/94/72/551949472.db2.gz	WPEQHHOLFUFFRZ-NRFANRHFSA-N	1	0	370.497	1.380	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1	ZINC000592340984	551982187	/nfs/dbraw/zinc/98/21/87/551982187.db2.gz	JJSCXKZDNQZJAW-GOSISDBHSA-N	1	0	354.454	1.456	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1C(F)(F)F	ZINC000592381379	551986312	/nfs/dbraw/zinc/98/63/12/551986312.db2.gz	GMRXOPMWOICALN-YGRLFVJLSA-N	1	0	359.373	1.950	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)cc1	ZINC000592429186	551994036	/nfs/dbraw/zinc/99/40/36/551994036.db2.gz	BLFDGWKOJSHBKB-IEBWSBKVSA-N	1	0	358.413	1.878	20	30		FDEDRO
C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	ZINC000592428527	551994218	/nfs/dbraw/zinc/99/42/18/551994218.db2.gz	WFZXBCUSZCOLDO-OLZOCXBDSA-N	1	0	367.409	1.926	20	30		FDEDRO
C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	ZINC000592428526	551994271	/nfs/dbraw/zinc/99/42/71/551994271.db2.gz	WFZXBCUSZCOLDO-CHWSQXEVSA-N	1	0	367.409	1.926	20	30		FDEDRO
N#Cc1cnn2cc(CNC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)cnc12	ZINC000592504242	552002892	/nfs/dbraw/zinc/00/28/92/552002892.db2.gz	RDNFKYTUKQUMEX-QZTJIDSGSA-N	1	0	354.458	1.458	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCC(=O)N2CCc3ccccc3C2)CC1	ZINC000592517682	552004233	/nfs/dbraw/zinc/00/42/33/552004233.db2.gz	GIYMUJXLNVFXGD-UHFFFAOYSA-N	1	0	356.470	1.521	20	30		FDEDRO
CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[C@@](O)(CC#N)C3)cc2)CC1	ZINC000592843786	552034962	/nfs/dbraw/zinc/03/49/62/552034962.db2.gz	UNNPYTASPMXLCT-FQEVSTJZSA-N	1	0	356.470	1.708	20	30		FDEDRO
CC(C)C[N@H+](C)CCCNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000593204174	552072333	/nfs/dbraw/zinc/07/23/33/552072333.db2.gz	LNXGMPMAHMFPPK-UHFFFAOYSA-N	1	0	365.499	1.567	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NCC[C@]3(O)CCOC3)CC2)c1	ZINC000593458185	552111841	/nfs/dbraw/zinc/11/18/41/552111841.db2.gz	JBSYZBCFFQKBRU-FQEVSTJZSA-N	1	0	372.469	1.363	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)Cc1ccc(Br)cc1C#N	ZINC000593460906	552112135	/nfs/dbraw/zinc/11/21/35/552112135.db2.gz	KHWDWZMOSRMSNL-OAHLLOKOSA-N	1	0	365.275	1.225	20	30		FDEDRO
C[C@@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1nc[nH]n1	ZINC000593513585	552119886	/nfs/dbraw/zinc/11/98/86/552119886.db2.gz	LJOLDHOAYOZRMT-CYBMUJFWSA-N	1	0	353.430	1.701	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)NC[C@H](C)[NH+]1CCCC1	ZINC000593528621	552123511	/nfs/dbraw/zinc/12/35/11/552123511.db2.gz	PIOYXAPZISVRDZ-LBPRGKRZSA-N	1	0	351.428	1.107	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CC[N@H+](CC2CC2)C1	ZINC000593541329	552127929	/nfs/dbraw/zinc/12/79/29/552127929.db2.gz	LJEANHGIBDCUGK-CQSZACIVSA-N	1	0	363.439	1.107	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N(C)CC[NH+]1CCCCC1	ZINC000593667125	552168242	/nfs/dbraw/zinc/16/82/42/552168242.db2.gz	UNVPYICTGQPPHZ-UHFFFAOYSA-N	1	0	365.455	1.451	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)NCCC3(C[NH3+])CC3)C2=O)cc1	ZINC000593708579	552179071	/nfs/dbraw/zinc/17/90/71/552179071.db2.gz	WBOVJJIYXUBORA-INIZCTEOSA-N	1	0	355.442	1.087	20	30		FDEDRO
C[NH2+]Cc1ccccc1CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000593717411	552181472	/nfs/dbraw/zinc/18/14/72/552181472.db2.gz	FWRNPYYRRVEPMD-UHFFFAOYSA-N	1	0	364.453	1.704	20	30		FDEDRO
N#Cc1cccc(CS(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1	ZINC000593731808	552186008	/nfs/dbraw/zinc/18/60/08/552186008.db2.gz	FHKUKQHLXARYIA-KSZLIROESA-N	1	0	363.483	1.749	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1F	ZINC000593766110	552194288	/nfs/dbraw/zinc/19/42/88/552194288.db2.gz	DFYRMPAIZYDWKW-ZQIUZPCESA-N	1	0	374.416	1.381	20	30		FDEDRO
COc1ccccc1[C@@H]([NH3+])CNC(=O)COc1ccc(C#N)cc1OC	ZINC000593899610	552220926	/nfs/dbraw/zinc/22/09/26/552220926.db2.gz	DPGDKSLCHQEWAU-HNNXBMFYSA-N	1	0	355.394	1.770	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000593907631	552223062	/nfs/dbraw/zinc/22/30/62/552223062.db2.gz	PKRAGJSBHLTQQC-WFASDCNBSA-N	1	0	370.375	1.278	20	30		FDEDRO
N#Cc1ccc(C2([NH2+]CC(=O)N3CCN(C(=O)C4CC4)CC3)CCC2)cc1	ZINC000594032043	552241945	/nfs/dbraw/zinc/24/19/45/552241945.db2.gz	BAYMOLKCWYBMNN-UHFFFAOYSA-N	1	0	366.465	1.608	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2Cc3ccc(C#N)cc3C2)CC1	ZINC000594219947	552266223	/nfs/dbraw/zinc/26/62/23/552266223.db2.gz	KHKFSDYKALQMNI-UHFFFAOYSA-N	1	0	369.469	1.526	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)ncc1C#N	ZINC000594285957	552278297	/nfs/dbraw/zinc/27/82/97/552278297.db2.gz	APHNIYOSOJIEDE-MRXNPFEDSA-N	1	0	357.458	1.827	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)ncc1C#N	ZINC000594291182	552279813	/nfs/dbraw/zinc/27/98/13/552279813.db2.gz	MSVYHHOVXVXCMT-UHFFFAOYSA-N	1	0	355.442	1.677	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2Cc3ccc(C#N)cc3C2)CC1=O	ZINC000594404547	552304677	/nfs/dbraw/zinc/30/46/77/552304677.db2.gz	IOIVVPCUSFMRRK-RBUKOAKNSA-N	1	0	366.465	1.733	20	30		FDEDRO
CCOc1ccccc1C(=O)N1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1	ZINC000594430108	552308548	/nfs/dbraw/zinc/30/85/48/552308548.db2.gz	YXLQKTISJYCNJA-KRWDZBQOSA-N	1	0	372.469	1.781	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O	ZINC000594428397	552308916	/nfs/dbraw/zinc/30/89/16/552308916.db2.gz	NEOLRCYDQGGYAZ-CQSZACIVSA-N	1	0	363.462	1.159	20	30		FDEDRO
C[C@](NC(=O)[C@@H]([NH3+])CCCCC#N)(C(N)=O)c1cccc(C(F)(F)F)c1	ZINC000594433326	552309214	/nfs/dbraw/zinc/30/92/14/552309214.db2.gz	NPRFWKISJMAHQN-XJKSGUPXSA-N	1	0	370.375	1.933	20	30		FDEDRO
CN1CCN([C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)c2cccs2)CC1	ZINC000594439394	552310567	/nfs/dbraw/zinc/31/05/67/552310567.db2.gz	QHGZWYGKEAORHH-HOTGVXAUSA-N	1	0	363.531	1.564	20	30		FDEDRO
Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)[C@H]([NH3+])CCCCC#N)C2)nc1	ZINC000594440632	552310807	/nfs/dbraw/zinc/31/08/07/552310807.db2.gz	HEYSTMOMEMUVFO-HZPDHXFCSA-N	1	0	357.458	1.978	20	30		FDEDRO
Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)[C@@H]([NH3+])CCCCC#N	ZINC000594444134	552311553	/nfs/dbraw/zinc/31/15/53/552311553.db2.gz	LJZROPKPRYYENL-INIZCTEOSA-N	1	0	358.442	1.817	20	30		FDEDRO
N#Cc1ccc(C2(NC(=O)c3cn(C4CC[NH2+]CC4)nn3)CCC2)cc1	ZINC000594450500	552313226	/nfs/dbraw/zinc/31/32/26/552313226.db2.gz	PHDZACMTRRYEKX-UHFFFAOYSA-N	1	0	350.426	1.883	20	30		FDEDRO
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2cccc(Br)c2C#N)C1	ZINC000594476706	552320516	/nfs/dbraw/zinc/32/05/16/552320516.db2.gz	XKAHVZYLFPUCBR-PHIMTYICSA-N	1	0	372.288	1.939	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H]([NH2+]C3CCN([C@H]4CCOC4)CC3)C2=O)cc1	ZINC000594500289	552326615	/nfs/dbraw/zinc/32/66/15/552326615.db2.gz	MGXZNVRZDWZNEJ-PMACEKPBSA-N	1	0	368.481	1.502	20	30		FDEDRO
N#Cc1ccc2c(c1)CN(C(=O)NCC(=O)NCC[NH+]1CCCCCC1)C2	ZINC000594548580	552332291	/nfs/dbraw/zinc/33/22/91/552332291.db2.gz	UNNUQWTYIUHIKI-UHFFFAOYSA-N	1	0	369.469	1.576	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(c3cccc(-n4cccn4)c3C#N)CC2)C1	ZINC000594555530	552333789	/nfs/dbraw/zinc/33/37/89/552333789.db2.gz	IPQNSSHWVSCHJB-KRWDZBQOSA-N	1	0	350.470	1.960	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1	ZINC000594846608	552407128	/nfs/dbraw/zinc/40/71/28/552407128.db2.gz	ASTNOFBJPOCPMD-SFHVURJKSA-N	1	0	364.515	1.716	20	30		FDEDRO
CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CCC[C@H](CC#N)C2)CC1	ZINC000595087017	552447865	/nfs/dbraw/zinc/44/78/65/552447865.db2.gz	TYJAIUSXKOVAJF-OAHLLOKOSA-N	1	0	372.473	1.631	20	30		FDEDRO
Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC[C@H]1C[NH2+]CCO1	ZINC000595109988	552453836	/nfs/dbraw/zinc/45/38/36/552453836.db2.gz	ZSZOGLKTSJRKTI-GFCCVEGCSA-N	1	0	351.453	1.348	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1	ZINC000595116650	552456235	/nfs/dbraw/zinc/45/62/35/552456235.db2.gz	WVMGNRCTSBUHNX-MRXNPFEDSA-N	1	0	363.483	1.967	20	30		FDEDRO
N#Cc1cncc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)c1	ZINC000595118098	552456871	/nfs/dbraw/zinc/45/68/71/552456871.db2.gz	SCHZEDWKOYAIRC-IRXDYDNUSA-N	1	0	360.414	1.516	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N(CC)[C@@H]1CC[N@H+](CC)C1	ZINC000595130039	552461188	/nfs/dbraw/zinc/46/11/88/552461188.db2.gz	JBUIIBAPLUMGTM-OAHLLOKOSA-N	1	0	358.442	1.838	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC[C@@](C)(C#N)C1	ZINC000595146661	552467298	/nfs/dbraw/zinc/46/72/98/552467298.db2.gz	FYFNGEJPTOHPAW-IBGZPJMESA-N	1	0	360.433	1.478	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)ccc1F	ZINC000595196137	552486780	/nfs/dbraw/zinc/48/67/80/552486780.db2.gz	HXHSSNMRVTVYHG-OAHLLOKOSA-N	1	0	360.389	1.005	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CCO1	ZINC000595236602	552501547	/nfs/dbraw/zinc/50/15/47/552501547.db2.gz	QZXAMBRKXDAJEA-AWEZNQCLSA-N	1	0	362.405	1.205	20	30		FDEDRO
C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1	ZINC000595244784	552504087	/nfs/dbraw/zinc/50/40/87/552504087.db2.gz	MHBHKMQMXQHAED-NSHDSACASA-N	1	0	354.414	1.023	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC4CC3(C[NH3+])C4)C2=O)cc1	ZINC000595264180	552507768	/nfs/dbraw/zinc/50/77/68/552507768.db2.gz	KSJYHINMXNBFIG-RCDNUKIMSA-N	1	0	353.426	1.186	20	30		FDEDRO
CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000595274162	552509884	/nfs/dbraw/zinc/50/98/84/552509884.db2.gz	QUOSBLWGNDFLNZ-IAGOWNOFSA-N	1	0	357.458	1.332	20	30		FDEDRO
C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H](C[NH3+])C1	ZINC000595273775	552510034	/nfs/dbraw/zinc/51/00/34/552510034.db2.gz	IEOLOLVKRSJSAL-FHLIZLRMSA-N	1	0	369.469	1.428	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)c1	ZINC000595278866	552510628	/nfs/dbraw/zinc/51/06/28/552510628.db2.gz	YLCUBBXJKOVGDA-SFHVURJKSA-N	1	0	354.454	1.413	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)c1cccc(C#N)c1	ZINC000595279395	552511201	/nfs/dbraw/zinc/51/12/01/552511201.db2.gz	KWHGOHKOVOWXMP-HNAYVOBHSA-N	1	0	368.481	1.974	20	30		FDEDRO
CO[C@H](C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@H]1CCOC1	ZINC000595355835	552534924	/nfs/dbraw/zinc/53/49/24/552534924.db2.gz	RRGCZFSEFATRSS-RHSMWYFYSA-N	1	0	372.425	1.980	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000595403414	552551042	/nfs/dbraw/zinc/55/10/42/552551042.db2.gz	FCFWCRXCESXLFY-HNNXBMFYSA-N	1	0	367.471	1.298	20	30		FDEDRO
C[NH+](C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)c1ccc(C#N)o1	ZINC000595403738	552551052	/nfs/dbraw/zinc/55/10/52/552551052.db2.gz	JWXGNIRFWLLLFB-CYBMUJFWSA-N	1	0	353.444	1.415	20	30		FDEDRO
C[NH+]1CCN(Cc2ccc(CNC(=O)N3CC[C@](C)(C#N)C3)cc2)CC1	ZINC000595458650	552564946	/nfs/dbraw/zinc/56/49/46/552564946.db2.gz	LIVAVBLNQPPJNL-HXUWFJFHSA-N	1	0	355.486	1.879	20	30		FDEDRO
C[NH+]1CCN(C[C@H](NC(=O)N2CC[C@@](C)(C#N)C2)c2ccccc2)CC1	ZINC000595547105	552582178	/nfs/dbraw/zinc/58/21/78/552582178.db2.gz	OHCUNHYROKNFGP-ICSRJNTNSA-N	1	0	355.486	1.920	20	30		FDEDRO
N#CC[C@@H]1CCCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1	ZINC000595610283	552592089	/nfs/dbraw/zinc/59/20/89/552592089.db2.gz	VPDSILKUFQMRDA-SFHVURJKSA-N	1	0	362.518	1.763	20	30		FDEDRO
CCOC(=O)c1cnn(C)c1NC(=O)C[NH2+]C(C)(C)c1cccc(C#N)c1	ZINC000595634498	552595898	/nfs/dbraw/zinc/59/58/98/552595898.db2.gz	CZFWXZSSUADXML-UHFFFAOYSA-N	1	0	369.425	1.932	20	30		FDEDRO
C=CCCSCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C	ZINC000595721305	552606763	/nfs/dbraw/zinc/60/67/63/552606763.db2.gz	WEEPIWXBAUEAHV-MQVJKMGUSA-N	1	0	368.547	1.679	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1	ZINC000595749172	552611022	/nfs/dbraw/zinc/61/10/22/552611022.db2.gz	MMUIHINIRZTAEQ-SJLPKXTDSA-N	1	0	358.486	1.636	20	30		FDEDRO
COC[C@H](C)NC(=O)NC(=O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1	ZINC000595775355	552613701	/nfs/dbraw/zinc/61/37/01/552613701.db2.gz	VCQAKBNBKUATGW-AWEZNQCLSA-N	1	0	374.441	1.014	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(c3snc(C)c3C#N)CC2)C1	ZINC000595808081	552618409	/nfs/dbraw/zinc/61/84/09/552618409.db2.gz	SFWYZAVASMTMEG-CQSZACIVSA-N	1	0	362.503	1.639	20	30		FDEDRO
CCN(CC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1)[C@@H](C)C#N	ZINC000595816432	552619068	/nfs/dbraw/zinc/61/90/68/552619068.db2.gz	AMGWGRWQYYDRQO-KRWDZBQOSA-N	1	0	358.486	1.963	20	30		FDEDRO
COC(=O)[C@@H]1CCN(CC#CC[N@@H+]2CC[C@H](C(=O)OC)[C@H](C)C2)C[C@@H]1C	ZINC000595819228	552619485	/nfs/dbraw/zinc/61/94/85/552619485.db2.gz	DGDIPZACRVRWFP-FZDBZEDMSA-N	1	0	364.486	1.252	20	30		FDEDRO
N#Cc1sccc1N1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1	ZINC000595938749	552635800	/nfs/dbraw/zinc/63/58/00/552635800.db2.gz	RMJIOONECKMKFE-GFCCVEGCSA-N	1	0	356.455	1.382	20	30		FDEDRO
C[C@@H]([NH3+])[C@H](C)C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595970175	552640315	/nfs/dbraw/zinc/64/03/15/552640315.db2.gz	LBSHCVVANRVMAK-UONOGXRCSA-N	1	0	352.442	1.580	20	30		FDEDRO
C[C@@]1(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC[NH2+]C1	ZINC000596128853	552658298	/nfs/dbraw/zinc/65/82/98/552658298.db2.gz	PAKPPWIVSKCAAW-LJQANCHMSA-N	1	0	365.393	1.552	20	30		FDEDRO
N#Cc1cn(CC(=O)NC2CC[NH+](C3CC3)CC2)c(=O)c2ccccc12	ZINC000596312922	552673671	/nfs/dbraw/zinc/67/36/71/552673671.db2.gz	PVYWHBGSHDXOFJ-UHFFFAOYSA-N	1	0	350.422	1.616	20	30		FDEDRO
CCN(C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H]1CC[N@H+](C)C1	ZINC000596582000	552691353	/nfs/dbraw/zinc/69/13/53/552691353.db2.gz	CJOFWGOUCZKYCF-ROUUACIJSA-N	1	0	369.469	1.395	20	30		FDEDRO
C[C@@H](CCNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[NH+](C)C	ZINC000596584143	552691720	/nfs/dbraw/zinc/69/17/20/552691720.db2.gz	SYDBLXKPTOPHJT-WMLDXEAASA-N	1	0	357.458	1.299	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC000596583648	552691771	/nfs/dbraw/zinc/69/17/71/552691771.db2.gz	YJEHYOCBYQNMMR-MJGOQNOKSA-N	1	0	354.454	1.786	20	30		FDEDRO
C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NCCn2cnc(C#N)n2)C1	ZINC000596599292	552693007	/nfs/dbraw/zinc/69/30/07/552693007.db2.gz	STLOHNMLIQVONQ-QGZVFWFLSA-N	1	0	367.457	1.108	20	30		FDEDRO
CN1C(=O)CC[C@@H]1CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000596693090	552702432	/nfs/dbraw/zinc/70/24/32/552702432.db2.gz	FNUMFVCUIMKVSM-GOSISDBHSA-N	1	0	354.454	1.603	20	30		FDEDRO
C[NH+](C)CCn1nccc1NC(=O)N1CCN(c2ccsc2C#N)CC1	ZINC000596918500	552724237	/nfs/dbraw/zinc/72/42/37/552724237.db2.gz	ABGJSXJGJHGLPH-UHFFFAOYSA-N	1	0	373.486	1.732	20	30		FDEDRO
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CC2(C#N)CCOCC2)CC1	ZINC000597052900	552740024	/nfs/dbraw/zinc/74/00/24/552740024.db2.gz	QEQTVJNCAXYEDT-QZTJIDSGSA-N	1	0	362.518	1.714	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc(F)c(C#N)c(F)c2)CC1	ZINC000597229213	552763471	/nfs/dbraw/zinc/76/34/71/552763471.db2.gz	ZCTKFEXDPBYVLA-ZDUSSCGKSA-N	1	0	350.413	1.840	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NC(=O)CC2(C#N)CCOCC2)[C@@H](C)C1	ZINC000597257447	552766191	/nfs/dbraw/zinc/76/61/91/552766191.db2.gz	SLSABJIMNIJKMV-DLBZAZTESA-N	1	0	351.491	1.950	20	30		FDEDRO
Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000597273397	552768449	/nfs/dbraw/zinc/76/84/49/552768449.db2.gz	FUCKLDZZPZZGJG-KRWDZBQOSA-N	1	0	354.458	1.901	20	30		FDEDRO
N#Cc1ccccc1N1CCCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CC1	ZINC000597438376	552789556	/nfs/dbraw/zinc/78/95/56/552789556.db2.gz	FEGRVRDBNUJQJV-SFHVURJKSA-N	1	0	353.470	1.922	20	30		FDEDRO
C[C@H]1CN(C(=O)c2cc(F)c(C#N)c(F)c2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000597468804	552792823	/nfs/dbraw/zinc/79/28/23/552792823.db2.gz	USPXPPZXAZEUGE-UGSOOPFHSA-N	1	0	362.424	1.934	20	30		FDEDRO
CN(CCC[NH+](C)C)CCNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1	ZINC000597990493	552853112	/nfs/dbraw/zinc/85/31/12/552853112.db2.gz	XEKWLSGEFDRTPW-LJQANCHMSA-N	1	0	357.502	1.527	20	30		FDEDRO
C[C@@H](C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)[NH+](C)C	ZINC000598156219	552869790	/nfs/dbraw/zinc/86/97/90/552869790.db2.gz	JUNVIZUOFCIHMJ-AWEZNQCLSA-N	1	0	352.442	1.547	20	30		FDEDRO
N#Cc1cccc(-c2cc(C(=O)N3CCC([N@@H+]4CC[C@H](O)C4)CC3)on2)c1	ZINC000598450682	552896727	/nfs/dbraw/zinc/89/67/27/552896727.db2.gz	FXNWYKQGYGDRMS-KRWDZBQOSA-N	1	0	366.421	1.884	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1	ZINC000598715924	552927799	/nfs/dbraw/zinc/92/77/99/552927799.db2.gz	VEVIJOZKDCMBJH-GOSISDBHSA-N	1	0	358.486	1.980	20	30		FDEDRO
COC(=O)c1ccsc1N1CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1=O	ZINC000598721241	552928050	/nfs/dbraw/zinc/92/80/50/552928050.db2.gz	UCTZXOTVSHWMJA-YPMHNXCESA-N	1	0	365.455	1.530	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1	ZINC000599099367	552967451	/nfs/dbraw/zinc/96/74/51/552967451.db2.gz	BXJNRVHDBKCGJZ-WPRPVWTQSA-N	1	0	353.391	1.768	20	30		FDEDRO
COc1ccccc1N1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1	ZINC000599256242	553004782	/nfs/dbraw/zinc/00/47/82/553004782.db2.gz	XWZPNOUBBAYXNB-QGZVFWFLSA-N	1	0	359.470	1.889	20	30		FDEDRO
COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599263246	553007784	/nfs/dbraw/zinc/00/77/84/553007784.db2.gz	FNSVPMOBEVOAEU-QAETUUGQSA-N	1	0	350.459	1.864	20	30		FDEDRO
C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C[C@H](O)CC2(C#N)CCOCC2)C[C@@H](C)O1	ZINC000599271998	553010556	/nfs/dbraw/zinc/01/05/56/553010556.db2.gz	GFOMELFYNUCAMU-AKHDSKFASA-N	1	0	365.518	1.631	20	30		FDEDRO
COC(=O)CC[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)CC(C)C	ZINC000599274795	553012157	/nfs/dbraw/zinc/01/21/57/553012157.db2.gz	DARAMLGBWJJPBA-UHFFFAOYSA-N	1	0	356.422	1.807	20	30		FDEDRO
CCOC(=O)C[C@H](O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000599322775	553026691	/nfs/dbraw/zinc/02/66/91/553026691.db2.gz	UINTZZGDQVCVFK-KRWDZBQOSA-N	1	0	359.426	1.523	20	30		FDEDRO
CCCC[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)[C@@H]1CCS(=O)(=O)C1	ZINC000599326875	553028372	/nfs/dbraw/zinc/02/83/72/553028372.db2.gz	OUPYWSGPWNWBOO-CVEARBPZSA-N	1	0	358.504	1.347	20	30		FDEDRO
CCN1C(=O)N=NC1C1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1	ZINC000599332920	553029786	/nfs/dbraw/zinc/02/97/86/553029786.db2.gz	XXEDMQWBFWKYFR-OAHLLOKOSA-N	1	0	363.462	1.254	20	30		FDEDRO
CCN1C(=O)N=NC1C1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1	ZINC000599332944	553029812	/nfs/dbraw/zinc/02/98/12/553029812.db2.gz	YRLJREYDBXLIGV-INIZCTEOSA-N	1	0	371.441	1.495	20	30		FDEDRO
COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CC#CCN1C(=O)c2ccccc2C1=O	ZINC000599341959	553032428	/nfs/dbraw/zinc/03/24/28/553032428.db2.gz	FQDKIRVRBNVMDS-UTKZUKDTSA-N	1	0	368.433	1.998	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)CCOCC1	ZINC000599386563	553042241	/nfs/dbraw/zinc/04/22/41/553042241.db2.gz	OTHIIRUWGOWWMJ-OKZBNKHCSA-N	1	0	351.491	1.291	20	30		FDEDRO
COC(=O)[C@H]1CSCC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000599436311	553056082	/nfs/dbraw/zinc/05/60/82/553056082.db2.gz	IEKFGMFEXQUVAH-CQSZACIVSA-N	1	0	372.446	1.124	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2C[C@@H](C)C(F)(F)[C@H](C)C2)CC1	ZINC000599513678	553077946	/nfs/dbraw/zinc/07/79/46/553077946.db2.gz	CKWAOIIUXMURGV-OAGGEKHMSA-N	1	0	356.461	1.902	20	30		FDEDRO
CN(CCOCC[NH3+])C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1	ZINC000599604207	553101012	/nfs/dbraw/zinc/10/10/12/553101012.db2.gz	MFXMPYAJFRNAPX-UHFFFAOYSA-N	1	0	362.821	1.836	20	30		FDEDRO
C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)Nc1ccn(-c3cccc(F)c3C#N)n1)C2	ZINC000599604596	553101044	/nfs/dbraw/zinc/10/10/44/553101044.db2.gz	PEWWKKHGPXAXAI-KDURUIRLSA-N	1	0	368.416	2.346	20	30		FDEDRO
N#Cc1ccc(NC(=O)NCC[N@H+]2CC[C@H](O)C2)cc1Br	ZINC000599790023	553148376	/nfs/dbraw/zinc/14/83/76/553148376.db2.gz	YMAWNYRKWYAHNU-LBPRGKRZSA-N	1	0	353.220	1.509	20	30		FDEDRO
N#CCc1cccc2c1CCN(C(=O)C(=O)Nc1ccc3c(c1)C[NH2+]CC3)C2	ZINC000599903852	553172182	/nfs/dbraw/zinc/17/21/82/553172182.db2.gz	OOPTWEHKUBQCLS-UHFFFAOYSA-N	1	0	374.444	1.922	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)cc1	ZINC000599937733	553178282	/nfs/dbraw/zinc/17/82/82/553178282.db2.gz	JFPITZUJDCIVSI-IPMKNSEASA-N	1	0	354.454	1.195	20	30		FDEDRO
Cc1cc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)nn1-c1cccc(C#N)c1	ZINC000599937779	553178350	/nfs/dbraw/zinc/17/83/50/553178350.db2.gz	KEBPDDHDTYTKFX-MSOLQXFVSA-N	1	0	365.437	1.334	20	30		FDEDRO
C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000599939159	553178931	/nfs/dbraw/zinc/17/89/31/553178931.db2.gz	UJCRKBGLGGJXHF-XJKSGUPXSA-N	1	0	367.457	1.308	20	30		FDEDRO
C[C@H]1CC[C@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C[NH2+]1	ZINC000599938965	553178992	/nfs/dbraw/zinc/17/89/92/553178992.db2.gz	KJNZIOUFASLGAD-JSGCOSHPSA-N	1	0	358.446	1.396	20	30		FDEDRO
CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cc(OC)c(C#N)cc2F)C1	ZINC000599953039	553184153	/nfs/dbraw/zinc/18/41/53/553184153.db2.gz	UASMJBWMAXGZCK-ZDUSSCGKSA-N	1	0	362.405	1.587	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c(F)cc1C#N	ZINC000599966195	553188291	/nfs/dbraw/zinc/18/82/91/553188291.db2.gz	VWZZSPGSOXMVEW-IAQYHMDHSA-N	1	0	360.389	1.197	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]C[C@H](O)COc2ccccc2Br)CC1	ZINC000600746165	553310273	/nfs/dbraw/zinc/31/02/73/553310273.db2.gz	UMLMYLNOURLXKS-OLZOCXBDSA-N	1	0	369.259	1.833	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1	ZINC000600721104	553307091	/nfs/dbraw/zinc/30/70/91/553307091.db2.gz	SHKXSGUUKVSIRB-ZFWWWQNUSA-N	1	0	357.376	1.772	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]CCNC(=O)c2c(F)cccc2F)CCOCC1	ZINC000600728308	553308306	/nfs/dbraw/zinc/30/83/06/553308306.db2.gz	SXQIEXLXGPBYML-CYBMUJFWSA-N	1	0	367.396	1.356	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@@H]2CCCN(c3ccccc3)C2=O)CCOCC1	ZINC000600729106	553308401	/nfs/dbraw/zinc/30/84/01/553308401.db2.gz	WVYYJUVFGWWZEJ-ZWKOTPCHSA-N	1	0	357.454	1.843	20	30		FDEDRO
CN(CC[NH2+]C[C@@H](O)CC1(C#N)CC1)S(=O)(=O)c1ccc(F)cc1	ZINC000600737576	553309116	/nfs/dbraw/zinc/30/91/16/553309116.db2.gz	WKXIPNGECCUHIH-AWEZNQCLSA-N	1	0	355.435	1.091	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]Cc2cccc(N3CCOCC3)c2)CCOCC1	ZINC000600738760	553309765	/nfs/dbraw/zinc/30/97/65/553309765.db2.gz	KOYMFZHORFZPLF-IBGZPJMESA-N	1	0	359.470	1.684	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCN1C[C@@H]2CCCCN2C1=O	ZINC000600744336	553310042	/nfs/dbraw/zinc/31/00/42/553310042.db2.gz	MKHINSDWPDYFGS-IRXDYDNUSA-N	1	0	358.442	1.178	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]CCN1C[C@H]2CCCCN2C1=O	ZINC000600744335	553310076	/nfs/dbraw/zinc/31/00/76/553310076.db2.gz	MKHINSDWPDYFGS-IAGOWNOFSA-N	1	0	358.442	1.178	20	30		FDEDRO
CC(=O)NCc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2C#N)cc1	ZINC000600750075	553310981	/nfs/dbraw/zinc/31/09/81/553310981.db2.gz	UCZDANALHNKFCB-LJQANCHMSA-N	1	0	353.422	1.724	20	30		FDEDRO
Cn1c2cc(C[NH2+]C[C@@H](O)COc3ccc(C#N)cc3)ccc2oc1=O	ZINC000600754589	553311706	/nfs/dbraw/zinc/31/17/06/553311706.db2.gz	FWXWWVCBOBTTOX-OAHLLOKOSA-N	1	0	353.378	1.533	20	30		FDEDRO
CC(C)(C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)C(=O)N1CCCC1	ZINC000600755505	553311880	/nfs/dbraw/zinc/31/18/80/553311880.db2.gz	KJHRJFINSBTEHW-QGZVFWFLSA-N	1	0	359.470	1.731	20	30		FDEDRO
COCC[NH2+]Cc1ccn(Cc2cn(Cc3cccc(C#N)c3)nn2)n1	ZINC000600973673	553333916	/nfs/dbraw/zinc/33/39/16/553333916.db2.gz	WEDDUMJCLXCLKW-UHFFFAOYSA-N	1	0	351.414	1.179	20	30		FDEDRO
N#CCc1ccccc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1	ZINC000601343582	553380335	/nfs/dbraw/zinc/38/03/35/553380335.db2.gz	QQYYCZCTQCBBEL-BBWFWOEESA-N	1	0	363.483	1.802	20	30		FDEDRO
Cc1cc(F)cc(C#N)c1S(=O)(=O)NC[C@H](C)CN1CC[NH+](C)CC1	ZINC000601357905	553384560	/nfs/dbraw/zinc/38/45/60/553384560.db2.gz	YUHJFJDVSWHTOW-ZDUSSCGKSA-N	1	0	368.478	1.168	20	30		FDEDRO
CN(C(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[C@H]1CCC[C@@H]1C#N	ZINC000601573895	553438150	/nfs/dbraw/zinc/43/81/50/553438150.db2.gz	GLXZGHLTAYKJBT-PVAVHDDUSA-N	1	0	356.426	1.437	20	30		FDEDRO
C[NH+](C)CCCOc1cnccc1CNC(=O)N1CCN(CCC#N)CC1	ZINC000601610475	553444806	/nfs/dbraw/zinc/44/48/06/553444806.db2.gz	RVRVTLDMQMITRG-UHFFFAOYSA-N	1	0	374.489	1.153	20	30		FDEDRO
N#Cc1ccccc1CSCC[NH2+]C[C@H](O)CC1(O)CCOCC1	ZINC000601963711	553496718	/nfs/dbraw/zinc/49/67/18/553496718.db2.gz	FSZPFXISERZMJT-QGZVFWFLSA-N	1	0	350.484	1.674	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]CCn2ccc(C(F)(F)F)n2)c1	ZINC000601969348	553497642	/nfs/dbraw/zinc/49/76/42/553497642.db2.gz	BQXLRSSUZTTYNL-UHFFFAOYSA-N	1	0	372.372	1.837	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)CCO1	ZINC000602099735	553519057	/nfs/dbraw/zinc/51/90/57/553519057.db2.gz	YJPRPAPLYSKKKX-QWFCFKBJSA-N	1	0	355.438	1.276	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC(Nc2ccccc2C#N)CC1	ZINC000602191805	553536559	/nfs/dbraw/zinc/53/65/59/553536559.db2.gz	LZDCIAAROARXCD-INIZCTEOSA-N	1	0	356.470	1.929	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c1	ZINC000602233187	553544593	/nfs/dbraw/zinc/54/45/93/553544593.db2.gz	VOYFMOREJNBVIX-GOSISDBHSA-N	1	0	354.454	1.698	20	30		FDEDRO
N#Cc1cccc(C[NH2+]Cc2cccc(OCCN3CCOCC3)c2)n1	ZINC000602530776	553599668	/nfs/dbraw/zinc/59/96/68/553599668.db2.gz	QIVNNGJXLRALHL-UHFFFAOYSA-N	1	0	352.438	1.954	20	30		FDEDRO
C=C(C)C[C@@H](NC(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F)C(=O)OC	ZINC000602598659	553609770	/nfs/dbraw/zinc/60/97/70/553609770.db2.gz	CKJGZSCQIOJBCO-LLVKDONJSA-N	1	0	371.388	1.378	20	30		FDEDRO
COc1cc(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)ccc1C#N	ZINC000602667683	553621326	/nfs/dbraw/zinc/62/13/26/553621326.db2.gz	SHFDJPTTYDKYMA-UHFFFAOYSA-N	1	0	351.472	1.907	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CCN2CCCN(c3cc[nH+]cc3)CC2)nc1	ZINC000602847942	553649943	/nfs/dbraw/zinc/64/99/43/553649943.db2.gz	LZDJMUMAWWCSJC-UHFFFAOYSA-N	1	0	371.466	1.334	20	30		FDEDRO
CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCC(c3ccc(C#N)cn3)CC2)C1	ZINC000602909264	553666520	/nfs/dbraw/zinc/66/65/20/553666520.db2.gz	LCBQSUOJPOZVCR-GOSISDBHSA-N	1	0	369.469	1.260	20	30		FDEDRO
C[NH+](C)C[C@@H]1COC2(CCCC2)CN1CC(=O)NCc1cccc(C#N)c1	ZINC000602910654	553667226	/nfs/dbraw/zinc/66/72/26/553667226.db2.gz	BZXMUMNQKGCENX-LJQANCHMSA-N	1	0	370.497	1.750	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(Cl)cn2C)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104401646	782174400	/nfs/dbraw/zinc/17/44/00/782174400.db2.gz	WXLGBFARHNQPPD-CHWSQXEVSA-N	1	0	365.865	1.006	20	30		FDEDRO
CN(CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1CCC[C@H]1C#N	ZINC000602974014	553684944	/nfs/dbraw/zinc/68/49/44/553684944.db2.gz	IUYKLSXGPOGXGJ-ZWKOTPCHSA-N	1	0	362.518	1.762	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)CC1	ZINC000602997739	553688653	/nfs/dbraw/zinc/68/86/53/553688653.db2.gz	PQWGDFJNLHBUON-YRXWBPOGSA-N	1	0	362.518	1.304	20	30		FDEDRO
N#Cc1ccc(OCc2ccc(C(=O)N[C@@H](CO)C[NH+]3CCCC3)o2)cc1	ZINC000603052612	553701641	/nfs/dbraw/zinc/70/16/41/553701641.db2.gz	JTSQMUNJFKDKAN-MRXNPFEDSA-N	1	0	369.421	1.917	20	30		FDEDRO
N#Cc1ccc(Cn2cc(CNC(=O)C3CC[NH2+]CC3)nn2)c(Cl)c1	ZINC000603225883	553736438	/nfs/dbraw/zinc/73/64/38/553736438.db2.gz	AWDAWVDTCXYKLY-UHFFFAOYSA-N	1	0	358.833	1.467	20	30		FDEDRO
COCC[C@@H]([NH3+])Cc1cn(Cc2ccc(C#N)cc2OC(F)F)nn1	ZINC000603235334	553738757	/nfs/dbraw/zinc/73/87/57/553738757.db2.gz	OSGRLXQHHGSKDD-CYBMUJFWSA-N	1	0	351.357	1.706	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1O2	ZINC000603270828	553748807	/nfs/dbraw/zinc/74/88/07/553748807.db2.gz	GUXQIFDOUMYMIV-KSZLIROESA-N	1	0	363.483	1.572	20	30		FDEDRO
COCCOCc1cc(C#N)ccc1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000603287967	553755094	/nfs/dbraw/zinc/75/50/94/553755094.db2.gz	FPSVPDDRSGTDBB-WOJBJXKFSA-N	1	0	359.470	1.757	20	30		FDEDRO
N#Cc1cc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ncc1Br	ZINC000603290761	553756392	/nfs/dbraw/zinc/75/63/92/553756392.db2.gz	WWMSRICDSJLBIM-KBPBESRZSA-N	1	0	351.248	1.751	20	30		FDEDRO
CN(CC[C@@H]1CCCC[N@@H+]1C)c1ccc(C#N)cc1CS(N)(=O)=O	ZINC000603301791	553759249	/nfs/dbraw/zinc/75/92/49/553759249.db2.gz	XRXTZVIKJACSQC-INIZCTEOSA-N	1	0	350.488	1.657	20	30		FDEDRO
C=CCC[C@H](NS(=O)(=O)c1cccc2c1CCN(C)C2)C(=O)OCC	ZINC000603350351	553769174	/nfs/dbraw/zinc/76/91/74/553769174.db2.gz	SOKLBERERNIUNB-INIZCTEOSA-N	1	0	366.483	1.851	20	30		FDEDRO
N#C[C@]1(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC12CCCC2	ZINC000603410676	553781881	/nfs/dbraw/zinc/78/18/81/553781881.db2.gz	IYIHGPCVKQLMBD-XLIONFOSSA-N	1	0	360.502	1.373	20	30		FDEDRO
COCCNC(=O)C1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1	ZINC000603444839	553789402	/nfs/dbraw/zinc/78/94/02/553789402.db2.gz	GQPMBDPOZQOYBG-UHFFFAOYSA-N	1	0	358.442	1.361	20	30		FDEDRO
COc1cc2cc(C(=O)NC3(C#N)CC[NH+](C)CC3)[nH]c2c(OC)c1OC	ZINC000603634418	553808001	/nfs/dbraw/zinc/80/80/01/553808001.db2.gz	RZLYFQPLKQVDFV-UHFFFAOYSA-N	1	0	372.425	1.911	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)c1	ZINC000604208237	553854177	/nfs/dbraw/zinc/85/41/77/553854177.db2.gz	MWBUDKBGIJEPSF-QGZVFWFLSA-N	1	0	356.426	1.210	20	30		FDEDRO
C[NH+]1CCN(c2ccc(NC(=O)CNc3ccc(C#N)cc3)cn2)CC1	ZINC000604446815	553878238	/nfs/dbraw/zinc/87/82/38/553878238.db2.gz	FWALWYBIFGMOPK-UHFFFAOYSA-N	1	0	350.426	1.756	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CNc1ccc(C#N)cc1	ZINC000608800283	554321078	/nfs/dbraw/zinc/32/10/78/554321078.db2.gz	GCVDRDFBBKLOAB-KRWDZBQOSA-N	1	0	357.458	1.029	20	30		FDEDRO
Cc1cccc([C@@H](CC(=O)N(CCC#N)CCC[NH+](C)C)NC(N)=O)c1	ZINC000609167193	554345674	/nfs/dbraw/zinc/34/56/74/554345674.db2.gz	ORKDQEYEBZZGQX-QGZVFWFLSA-N	1	0	359.474	1.789	20	30		FDEDRO
CC(C)[NH+]1CCN(c2ccc(C(=O)NC3CCN(CC#N)CC3)cc2)CC1	ZINC000609330780	554366037	/nfs/dbraw/zinc/36/60/37/554366037.db2.gz	WQIUITMHJLNMCT-UHFFFAOYSA-N	1	0	369.513	1.935	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1	ZINC000609572742	554395349	/nfs/dbraw/zinc/39/53/49/554395349.db2.gz	ZQZDDZRAJGYAKQ-HOJAQTOUSA-N	1	0	359.470	1.023	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000609620105	554403498	/nfs/dbraw/zinc/40/34/98/554403498.db2.gz	MDGAMAVAUBYORM-CTNGQTDRSA-N	1	0	370.497	1.316	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](N3CCC[N@H+](C[C@H]4CCCO4)CC3)C2=O)cc1	ZINC000610002546	554448215	/nfs/dbraw/zinc/44/82/15/554448215.db2.gz	QVXFXUCLLKYYKB-UXHICEINSA-N	1	0	368.481	1.850	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(c2ccc(C#N)cn2)CC1)C1CC[NH+](C)CC1	ZINC000610027395	554450026	/nfs/dbraw/zinc/45/00/26/554450026.db2.gz	GEYVDMGMOLEPTL-HNNXBMFYSA-N	1	0	356.474	1.515	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC[N@@H+]1C	ZINC000610208985	554473935	/nfs/dbraw/zinc/47/39/35/554473935.db2.gz	MEQVFCUKOKIBBM-HOCLYGCPSA-N	1	0	363.483	1.977	20	30		FDEDRO
C[C@H](NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1cccc(C#N)c1	ZINC000610403602	554500552	/nfs/dbraw/zinc/50/05/52/554500552.db2.gz	SDNRIBYDIBZNGZ-QFBILLFUSA-N	1	0	371.485	1.325	20	30		FDEDRO
CN1CCC[C@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1	ZINC000610657941	554545299	/nfs/dbraw/zinc/54/52/99/554545299.db2.gz	GFJOHJMXODMWOJ-LBPRGKRZSA-N	1	0	358.261	1.693	20	30		FDEDRO
CN(C(=O)NC1CCN(CC#N)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000610774324	554560676	/nfs/dbraw/zinc/56/06/76/554560676.db2.gz	YBZBOYYXILJLIG-LJQANCHMSA-N	1	0	355.486	1.890	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c(F)c1	ZINC000610869655	554572581	/nfs/dbraw/zinc/57/25/81/554572581.db2.gz	AVOMFDQBBZOZPZ-UHFFFAOYSA-N	1	0	364.340	1.533	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cn1	ZINC000611190063	554613654	/nfs/dbraw/zinc/61/36/54/554613654.db2.gz	PIZWNNWOJFBCSR-IEBWSBKVSA-N	1	0	350.422	1.566	20	30		FDEDRO
N#Cc1ccc(F)c(CS(=O)(=O)NC2CC[NH+](CC3CC3)CC2)c1	ZINC000611231818	554617711	/nfs/dbraw/zinc/61/77/11/554617711.db2.gz	MGLXKPWSWGOZTC-UHFFFAOYSA-N	1	0	351.447	1.991	20	30		FDEDRO
Cn1cc(C[NH2+]CC(C)(C)NS(C)(=O)=O)c(-c2ccc(C#N)cc2)n1	ZINC000611497882	554638384	/nfs/dbraw/zinc/63/83/84/554638384.db2.gz	JVGWEKYDURTPNX-UHFFFAOYSA-N	1	0	361.471	1.376	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)C1	ZINC000611556139	554645915	/nfs/dbraw/zinc/64/59/15/554645915.db2.gz	MEEHZCYMTIOURY-KRWDZBQOSA-N	1	0	367.453	1.893	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1	ZINC000612040612	554724330	/nfs/dbraw/zinc/72/43/30/554724330.db2.gz	MFWWQPIOFDRIBL-QXDIGNSFSA-N	1	0	365.518	1.851	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1	ZINC000612334613	554764202	/nfs/dbraw/zinc/76/42/02/554764202.db2.gz	NMWVXZSUXVPHLJ-ZWKOTPCHSA-N	1	0	351.491	1.561	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H](CC(N)=O)C2CCCCC2)cc1	ZINC000612489949	554793249	/nfs/dbraw/zinc/79/32/49/554793249.db2.gz	KEFFUJCVUQTYCC-MJGOQNOKSA-N	1	0	359.470	1.906	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(CC)[C@H]2CC[N@H+](C)C2)c1	ZINC000617560211	555467904	/nfs/dbraw/zinc/46/79/04/555467904.db2.gz	JUMJMSDKXPZBQV-HNNXBMFYSA-N	1	0	351.472	1.317	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)CC2)n1	ZINC000617957500	555549006	/nfs/dbraw/zinc/54/90/06/555549006.db2.gz	LWQBYZQMDFWECF-GOSISDBHSA-N	1	0	368.485	1.802	20	30		FDEDRO
C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2CCc3cc(C#N)ccc32)cn1	ZINC000618880586	555690512	/nfs/dbraw/zinc/69/05/12/555690512.db2.gz	MIPJOAYPVMANNG-QGZVFWFLSA-N	1	0	366.425	1.059	20	30		FDEDRO
C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)N3CC[C@](F)(C#N)C3)cccc21	ZINC000619078603	555722127	/nfs/dbraw/zinc/72/21/27/555722127.db2.gz	URFHKNPJZSKDLN-KSSFIOAISA-N	1	0	360.389	1.474	20	30		FDEDRO
Cc1c(C(=O)NCC2(C#N)CC2)nnn1-c1cccc2c1CC[N@@H+](C)C2	ZINC000619545441	555796666	/nfs/dbraw/zinc/79/66/66/555796666.db2.gz	SINPSSNTEFCVCK-UHFFFAOYSA-N	1	0	350.426	1.597	20	30		FDEDRO
C=C[C@@H](C(=O)OC)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000619717053	555825811	/nfs/dbraw/zinc/82/58/11/555825811.db2.gz	OYTZREISRUAZHP-ROUUACIJSA-N	1	0	358.486	1.643	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2CCC(C#N)(c3ccccn3)CC2)CC1	ZINC000619723009	555826312	/nfs/dbraw/zinc/82/63/12/555826312.db2.gz	SUKVQHFQNRBKME-UHFFFAOYSA-N	1	0	355.486	1.539	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1	ZINC000619871755	555846837	/nfs/dbraw/zinc/84/68/37/555846837.db2.gz	WRMANEGVKUFZLO-GOSISDBHSA-N	1	0	370.453	1.001	20	30		FDEDRO
C=CCOc1c(Cl)cc(C[NH2+]CCCNS(C)(=O)=O)cc1OC	ZINC000623346255	556408206	/nfs/dbraw/zinc/40/82/06/556408206.db2.gz	JTDSANCXPDNUHB-UHFFFAOYSA-N	1	0	362.879	1.942	20	30		FDEDRO
C=C(C)Cn1c(-c2cc[nH]n2)nnc1N1CCC(C)([NH+]2CCOCC2)CC1	ZINC000624977948	556683926	/nfs/dbraw/zinc/68/39/26/556683926.db2.gz	GKUMQHLTZCGOIM-UHFFFAOYSA-N	1	0	371.489	1.935	20	30		FDEDRO
C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CC[NH+](CCOC(C)C)CC1	ZINC000624991438	556686642	/nfs/dbraw/zinc/68/66/42/556686642.db2.gz	JQNRBAUNJTYDPO-UHFFFAOYSA-N	1	0	359.478	1.791	20	30		FDEDRO
C=CCOc1c(Cl)cc(C[NH2+]CCCS(=O)(=O)NC)cc1OC	ZINC000631230012	557987843	/nfs/dbraw/zinc/98/78/43/557987843.db2.gz	QSKHEKAJLVNJPY-UHFFFAOYSA-N	1	0	362.879	1.942	20	30		FDEDRO
C=CCNC(=O)c1ccc(N2CCN(CCc3cnccn3)CC2)nc1	ZINC000631534989	558015173	/nfs/dbraw/zinc/01/51/73/558015173.db2.gz	SITJXLHAWVVULF-UHFFFAOYSA-N	1	0	352.442	1.152	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)cc1	ZINC000633046211	558249079	/nfs/dbraw/zinc/24/90/79/558249079.db2.gz	UJOUJBMLFCRUNA-INIZCTEOSA-N	1	0	372.469	1.435	20	30		FDEDRO
C=CCn1c(COCCOC)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C	ZINC000634339399	558451934	/nfs/dbraw/zinc/45/19/34/558451934.db2.gz	FUYOLCXYVLBRKH-HZPDHXFCSA-N	1	0	351.495	1.794	20	30		FDEDRO
C=C(C)Cn1c(COCCOC)nnc1N1CC[NH+](CC(C)C)CC1	ZINC000634381893	558457165	/nfs/dbraw/zinc/45/71/65/558457165.db2.gz	NFQFSPMAXBAWEB-UHFFFAOYSA-N	1	0	351.495	1.795	20	30		FDEDRO
C=C(C)Cn1c(COCCOC)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C	ZINC000634383433	558457428	/nfs/dbraw/zinc/45/74/28/558457428.db2.gz	ADUIDRRGVMKXDX-HZPDHXFCSA-N	1	0	351.495	1.936	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)c1	ZINC000634755473	558521765	/nfs/dbraw/zinc/52/17/65/558521765.db2.gz	ZRSWVEAQQIDANC-OAHLLOKOSA-N	1	0	365.499	1.659	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1	ZINC000636726339	567977553	/nfs/dbraw/zinc/97/75/53/567977553.db2.gz	NNPBDJJJSALGMT-FUHWJXTLSA-N	1	0	374.485	1.260	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1	ZINC000644844312	568216484	/nfs/dbraw/zinc/21/64/84/568216484.db2.gz	SCNGULIDBJYKNA-ZWKOTPCHSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CNc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000735398598	598361568	/nfs/dbraw/zinc/36/15/68/598361568.db2.gz	KDBDTOVVKPGWGB-UHFFFAOYSA-N	1	0	355.446	1.435	20	30		FDEDRO
N#Cc1cnc(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cn1	ZINC000737728582	598386040	/nfs/dbraw/zinc/38/60/40/598386040.db2.gz	RRWSFRZOCXIFHP-UHFFFAOYSA-N	1	0	361.413	1.241	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)o3)CC2)nc1	ZINC000822829908	599426623	/nfs/dbraw/zinc/42/66/23/599426623.db2.gz	ORNHAIMHHBDLKJ-UHFFFAOYSA-N	1	0	350.386	1.485	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1	ZINC000272824109	674478164	/nfs/dbraw/zinc/47/81/64/674478164.db2.gz	JMXCRKZJGGVUBV-UHFFFAOYSA-N	1	0	364.427	1.686	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)NCc1ccccc1C[N@@H+](C)C(C)C	ZINC000272862387	674482438	/nfs/dbraw/zinc/48/24/38/674482438.db2.gz	QREGWLOXQFEVSD-UHFFFAOYSA-N	1	0	367.515	1.927	20	30		FDEDRO
C=CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cccc(-c2nn[nH]n2)c1	ZINC000819743409	606110355	/nfs/dbraw/zinc/11/03/55/606110355.db2.gz	IKTDXDNHUORXIN-UHFFFAOYSA-N	1	0	354.374	1.660	20	30		FDEDRO
CCC[N@H+](CCC(=O)N(C)CCC#N)Cc1ccc(-c2nn[nH]n2)cc1	ZINC000825313820	608088438	/nfs/dbraw/zinc/08/84/38/608088438.db2.gz	SGJYJKVJTPAEEV-UHFFFAOYSA-N	1	0	355.446	1.841	20	30		FDEDRO
COCC#CC[NH+]1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1	ZINC000826147121	608104583	/nfs/dbraw/zinc/10/45/83/608104583.db2.gz	OBDCNZMQIPCGAN-UHFFFAOYSA-N	1	0	354.414	1.167	20	30		FDEDRO
C#CC[C@@H]([NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1ccccc1	ZINC000823838658	608518919	/nfs/dbraw/zinc/51/89/19/608518919.db2.gz	SLHAVLGKYYMBEY-GOSISDBHSA-N	1	0	360.421	1.837	20	30		FDEDRO
N#CCc1ccc(C[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)cc1	ZINC000826382593	609516778	/nfs/dbraw/zinc/51/67/78/609516778.db2.gz	LUIOBGQMQTXYOU-UHFFFAOYSA-N	1	0	360.425	1.650	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCn3c(Br)cnc3C2)CC1	ZINC000277361963	674924629	/nfs/dbraw/zinc/92/46/29/674924629.db2.gz	GRFSZUDEGIZHON-UHFFFAOYSA-N	1	0	351.248	1.333	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C)o1	ZINC000286498516	675896591	/nfs/dbraw/zinc/89/65/91/675896591.db2.gz	NFCYGOHRNCZMLT-UHFFFAOYSA-N	1	0	353.488	1.514	20	30		FDEDRO
Cc1cccc(S(=O)(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)c1C#N	ZINC000277884699	675059922	/nfs/dbraw/zinc/05/99/22/675059922.db2.gz	OCXVJKPEJSYGAQ-OAHLLOKOSA-N	1	0	351.472	1.646	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH2+]C2CCN(S(C)(=O)=O)CC2)cc1	ZINC000030656341	670831547	/nfs/dbraw/zinc/83/15/47/670831547.db2.gz	GGWDFAFFYLTDLX-UHFFFAOYSA-N	1	0	350.488	1.550	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(NC[C@@H]2CCCO2)=[NH+]C2CCCCC2)C1	ZINC000072738175	671395655	/nfs/dbraw/zinc/39/56/55/671395655.db2.gz	FVIBUKXATVMZRV-ZBFHGGJFSA-N	1	0	357.520	1.468	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCc3cc(Cl)ccc3C2)CC1	ZINC000286732755	675901588	/nfs/dbraw/zinc/90/15/88/675901588.db2.gz	RRYHKDHYWUTPAH-UHFFFAOYSA-N	1	0	361.873	1.991	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCOCC(F)(F)F)=[NH+]C[C@H]2C1	ZINC000089120324	671491627	/nfs/dbraw/zinc/49/16/27/671491627.db2.gz	RUMAFDZFMMQRKR-NSHDSACASA-N	1	0	366.384	1.446	20	30		FDEDRO
C[NH+]=C(NCc1sc(C)nc1C)N1CC[C@@H](CN2CCOCC2)C1	ZINC000089072096	671491728	/nfs/dbraw/zinc/49/17/28/671491728.db2.gz	UHJUKHAANVUFGK-HNNXBMFYSA-N	1	0	351.520	1.489	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)NCCC1(O)CCOCC1)C(C)C	ZINC000287013840	675910980	/nfs/dbraw/zinc/91/09/80/675910980.db2.gz	ROKHQLAWAXWRSU-QGZVFWFLSA-N	1	0	353.507	1.916	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC2=CC[N@H+](C)CC2)cc1	ZINC000287335602	675914726	/nfs/dbraw/zinc/91/47/26/675914726.db2.gz	PAGLLOJXSLDWIH-CYBMUJFWSA-N	1	0	362.455	1.756	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N(C)CC[NH+]2CCCC2)ccc1F	ZINC000103117317	671589395	/nfs/dbraw/zinc/58/93/95/671589395.db2.gz	MCGVJWIODVNECS-UHFFFAOYSA-N	1	0	369.462	1.458	20	30		FDEDRO
C[NH+](C)CCNC(=O)CC1S/C(=N/c2ccc(F)c(Cl)c2)NC1=O	ZINC000106898476	671608726	/nfs/dbraw/zinc/60/87/26/671608726.db2.gz	YVHWAHSIODJCSU-LBPRGKRZSA-N	1	0	372.853	1.766	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C[C@@H]2CC[NH2+]C2)c1	ZINC000128415363	671776965	/nfs/dbraw/zinc/77/69/65/671776965.db2.gz	BDNQSLDQNJVVDO-GJEKEPIOSA-N	1	0	364.471	1.438	20	30		FDEDRO
[NH2+]=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)NC[C@H]1CCCO1	ZINC000161477607	672009943	/nfs/dbraw/zinc/00/99/43/672009943.db2.gz	LTXOKAUSAIHJLR-SJORKVTESA-N	1	0	350.438	1.282	20	30		FDEDRO
CC(C)N(C)S(=O)(=O)c1ccc(CNC(=[NH2+])NC[C@@H]2CCCO2)cc1	ZINC000161548334	672010316	/nfs/dbraw/zinc/01/03/16/672010316.db2.gz	UVZMDCDJTLNJCT-HNNXBMFYSA-N	1	0	368.503	1.299	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1	ZINC000170647338	672044956	/nfs/dbraw/zinc/04/49/56/672044956.db2.gz	ZKPYLDDATLNTTN-LSDHHAIUSA-N	1	0	352.479	1.841	20	30		FDEDRO
C#CCCS(=O)(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1	ZINC000288199096	675974735	/nfs/dbraw/zinc/97/47/35/675974735.db2.gz	CCEKLMGMMUAYLC-UHFFFAOYSA-N	1	0	365.499	1.102	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1	ZINC000173055417	672076182	/nfs/dbraw/zinc/07/61/82/672076182.db2.gz	UXWYMLLKTJNTOV-CQSZACIVSA-N	1	0	365.499	1.304	20	30		FDEDRO
CC[NH+]=C(NCC1(O)CCCCC1)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000179091455	672154738	/nfs/dbraw/zinc/15/47/38/672154738.db2.gz	QHYRJMKFPBEHND-KRWDZBQOSA-N	1	0	352.523	1.301	20	30		FDEDRO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCCC[C@@H]2CO)CC1	ZINC000182680327	672215825	/nfs/dbraw/zinc/21/58/25/672215825.db2.gz	ADCLVKJEBXRWQY-CVEARBPZSA-N	1	0	362.499	1.304	20	30		FDEDRO
CCOC(=O)N1CCC([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)CC1	ZINC000186422113	672272204	/nfs/dbraw/zinc/27/22/04/672272204.db2.gz	HZDCYRRYBARAGE-SCLBCKFNSA-N	1	0	350.463	1.641	20	30		FDEDRO
[NH2+]=C(NCCc1ccccc1)NCc1ccc(S(=O)(=O)CCO)cc1	ZINC000191170037	672339345	/nfs/dbraw/zinc/33/93/45/672339345.db2.gz	TZOXUZYZCOXWOT-UHFFFAOYSA-N	1	0	361.467	1.100	20	30		FDEDRO
C[N@@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C[C@H]1CCOC1	ZINC000245923296	672473597	/nfs/dbraw/zinc/47/35/97/672473597.db2.gz	YKZKYVLIITTXQB-HZPDHXFCSA-N	1	0	362.499	1.425	20	30		FDEDRO
CC[S@](=O)[C@@H]1CCC[C@H](NC(NCC(=O)N2CCCCC2)=[NH+]C)C1	ZINC000261651324	672643497	/nfs/dbraw/zinc/64/34/97/672643497.db2.gz	FDKFYRKKLMHLSO-OWWKKJFISA-N	1	0	356.536	1.244	20	30		FDEDRO
C[NH+]=C(NCCOc1ncccc1Cl)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261661387	672645428	/nfs/dbraw/zinc/64/54/28/672645428.db2.gz	AUXOWUYTDFLIBV-UHFFFAOYSA-N	1	0	374.894	1.198	20	30		FDEDRO
C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N1CC[C@@H](CC(C)C)C1	ZINC000261675162	672648465	/nfs/dbraw/zinc/64/84/65/672648465.db2.gz	PSWVBMGBYYNOGQ-INIZCTEOSA-N	1	0	358.552	1.601	20	30		FDEDRO
CC[NH+]=C(NCCN1CCN(C(C)=O)CC1)N1CCS[C@H](C(C)C)C1	ZINC000261774642	672670026	/nfs/dbraw/zinc/67/00/26/672670026.db2.gz	ONMVJZSOLPKKED-KRWDZBQOSA-N	1	0	369.579	1.189	20	30		FDEDRO
CCC1(CC)CCN(C(NCC2CCN(S(C)(=O)=O)CC2)=[NH+]C)C1	ZINC000261820032	672677320	/nfs/dbraw/zinc/67/73/20/672677320.db2.gz	UKGGNSBSTMFYEF-UHFFFAOYSA-N	1	0	358.552	1.746	20	30		FDEDRO
CCN(CC)C(=O)CN(C)C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)=[NH+]C	ZINC000261872221	672686395	/nfs/dbraw/zinc/68/63/95/672686395.db2.gz	ZVYGKBQGMPXAGY-UAGQMJEPSA-N	1	0	350.507	1.710	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCCN1S(C)(=O)=O)NC1CCC(C(C)C)CC1	ZINC000261964951	672703435	/nfs/dbraw/zinc/70/34/35/672703435.db2.gz	LDJHWTVVYPGZMJ-UYSNPLJNSA-N	1	0	358.552	1.790	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N(C)Cc1cc(Cl)cn1C	ZINC000261967895	672703823	/nfs/dbraw/zinc/70/38/23/672703823.db2.gz	LXPVHGYZYSYKKC-CYBMUJFWSA-N	1	0	363.897	1.848	20	30		FDEDRO
C[NH+]=C(NCCc1csc(N2CCCC2)n1)N1CC[C@]2(CCOC2)C1	ZINC000261970639	672704713	/nfs/dbraw/zinc/70/47/13/672704713.db2.gz	MQWPEUASEAMCOY-SFHVURJKSA-N	1	0	363.531	1.974	20	30		FDEDRO
[NH2+]=C(NC[C@H](O)C(F)(F)F)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000261970708	672704770	/nfs/dbraw/zinc/70/47/70/672704770.db2.gz	CYLFLBIYPMYEHJ-LBPRGKRZSA-N	1	0	350.772	1.700	20	30		FDEDRO
C[NH+]=C(NCC1(c2ccc(F)cc2)CC1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000262006047	672710599	/nfs/dbraw/zinc/71/05/99/672710599.db2.gz	VQMOLSCZSPXKLQ-UHFFFAOYSA-N	1	0	367.490	1.942	20	30		FDEDRO
C[NH+]=C(NC[C@H](O)c1cccc(C)c1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000262021726	672713022	/nfs/dbraw/zinc/71/30/22/672713022.db2.gz	YYZKPLXLBCXBDH-HNNXBMFYSA-N	1	0	353.488	1.113	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NC[C@H]2COC3(CCOCC3)O2)cc1Cl	ZINC000262241790	672752888	/nfs/dbraw/zinc/75/28/88/672752888.db2.gz	YCWSJOWJHBRZST-LBPRGKRZSA-N	1	0	355.822	1.997	20	30		FDEDRO
CN(C)C(=O)C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N1CCCC1	ZINC000262291699	672763187	/nfs/dbraw/zinc/76/31/87/672763187.db2.gz	LMCSQJNMAIWKLZ-UHFFFAOYSA-N	1	0	363.409	1.792	20	30		FDEDRO
CC[C@H](C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCOC2(CCC2)C1	ZINC000262335330	672772476	/nfs/dbraw/zinc/77/24/76/672772476.db2.gz	BRNPKUXYQMJWQS-JYJNAYRXSA-N	1	0	371.547	1.857	20	30		FDEDRO
CN(C)C(=O)CNC(NCc1cccs1)=[NH+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C	ZINC000262338136	672772829	/nfs/dbraw/zinc/77/28/29/672772829.db2.gz	WOSAHAALWZYKPS-NUEKZKHPSA-N	1	0	364.515	1.685	20	30		FDEDRO
C[C@H](NC(=[NH2+])NC[C@@H]1CC[C@H](C(N)=O)O1)c1ccc(Cl)cc1Cl	ZINC000262350545	672774874	/nfs/dbraw/zinc/77/48/74/672774874.db2.gz	FBLDXJVWOUGBOR-GMOODISLSA-N	1	0	359.257	1.992	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](C2CCOCC2)C1	ZINC000262362333	672776990	/nfs/dbraw/zinc/77/69/90/672776990.db2.gz	HCSAESYXQXHCSA-HOCLYGCPSA-N	1	0	357.520	1.135	20	30		FDEDRO
CC1CCN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C[C@@H]2CCOC2)CC1	ZINC000262364425	672777050	/nfs/dbraw/zinc/77/70/50/672777050.db2.gz	HIZMUZKSSPUJBW-HOTGVXAUSA-N	1	0	357.520	1.135	20	30		FDEDRO
O=S1(=O)CC[C@@H](CNC(NCc2ccsc2)=[NH+]C2CCOCC2)C1	ZINC000262386641	672781165	/nfs/dbraw/zinc/78/11/65/672781165.db2.gz	LMAYZCJDBWWKPR-AWEZNQCLSA-N	1	0	371.528	1.397	20	30		FDEDRO
C=CCNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CCS[C@H](C(C)C)C1	ZINC000262395335	672782701	/nfs/dbraw/zinc/78/27/01/672782701.db2.gz	MWMGLATXUMKPBJ-GJZGRUSLSA-N	1	0	359.561	1.626	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C)C12CCCCC2	ZINC000262413107	672785573	/nfs/dbraw/zinc/78/55/73/672785573.db2.gz	PQFJPNILMXYUCF-HRCADAONSA-N	1	0	371.547	1.714	20	30		FDEDRO
CC[C@]1(C)CCN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C[C@H]2CCCO2)C1	ZINC000262426160	672787536	/nfs/dbraw/zinc/78/75/36/672787536.db2.gz	RQYDLEPAISLLTO-LZLYRXPVSA-N	1	0	371.547	1.668	20	30		FDEDRO
C[NH+]=C(NCc1cc(F)ccc1SC)NC[C@@H]1CCS(=O)(=O)C1	ZINC000262457663	672792897	/nfs/dbraw/zinc/79/28/97/672792897.db2.gz	XAQQVCOPOOXUIY-NSHDSACASA-N	1	0	359.492	1.647	20	30		FDEDRO
CO[C@]1(C)C[C@H](NC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)C1(C)C	ZINC000262463080	672793985	/nfs/dbraw/zinc/79/39/85/672793985.db2.gz	XWHBZRLBNMOEGP-HACGYAERSA-N	1	0	357.520	1.322	20	30		FDEDRO
C[C@@H]1CN(C(=[NH2+])NCc2cc(Br)c3c(c2)OCCO3)CCO1	ZINC000262467649	672794800	/nfs/dbraw/zinc/79/48/00/672794800.db2.gz	OCEKKMMTGCQVME-SNVBAGLBSA-N	1	0	370.247	1.756	20	30		FDEDRO
[NH2+]=C(NCCc1ccc(F)cc1Cl)N1CCN(c2ncccn2)CC1	ZINC000262530076	672803956	/nfs/dbraw/zinc/80/39/56/672803956.db2.gz	NFUMRJLQNYIOPX-UHFFFAOYSA-N	1	0	362.840	1.949	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NC[C@H]2CCCCN2S(C)(=O)=O)cc1Cl	ZINC000262628068	672821093	/nfs/dbraw/zinc/82/10/93/672821093.db2.gz	FBIGZTYPQBTYRR-GFCCVEGCSA-N	1	0	374.894	1.889	20	30		FDEDRO
[NH2+]=C(NC[C@H](O)c1ccc(Cl)cc1)N1CCN(c2ncccn2)CC1	ZINC000262641580	672824221	/nfs/dbraw/zinc/82/42/21/672824221.db2.gz	KZAODTSMSWGOCO-HNNXBMFYSA-N	1	0	360.849	1.300	20	30		FDEDRO
C[C@@H]1[NH2+]CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)[C@H]1C	ZINC000262763321	672844579	/nfs/dbraw/zinc/84/45/79/672844579.db2.gz	JZOYLJRJSHCNFU-UWVGGRQHSA-N	1	0	358.261	1.692	20	30		FDEDRO
CC[NH+]=C(NCCN1CCSCC1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C	ZINC000262778819	672847896	/nfs/dbraw/zinc/84/78/96/672847896.db2.gz	KDUORMSHJNOZQI-ARFHVFGLSA-N	1	0	354.564	1.794	20	30		FDEDRO
C[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1	ZINC000262820418	672851735	/nfs/dbraw/zinc/85/17/35/672851735.db2.gz	WTFFTBLCUISTPR-JEWRLFTDSA-N	1	0	352.523	1.740	20	30		FDEDRO
CC(C)(CCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)S(C)(=O)=O	ZINC000263062309	672860265	/nfs/dbraw/zinc/86/02/65/672860265.db2.gz	FQPWMCUGMGREJM-UHFFFAOYSA-N	1	0	355.460	1.788	20	30		FDEDRO
C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000263939957	672894527	/nfs/dbraw/zinc/89/45/27/672894527.db2.gz	ZAEBUTDOCCCOPI-HNNXBMFYSA-N	1	0	364.471	1.045	20	30		FDEDRO
CC[C@H](C)NC(=[NH2+])NCc1ccccc1CS(=O)(=O)N1CCOCC1	ZINC000264108501	672901446	/nfs/dbraw/zinc/90/14/46/672901446.db2.gz	QBQQGXKBFKZOKK-AWEZNQCLSA-N	1	0	368.503	1.051	20	30		FDEDRO
CCS(=O)(=O)NCCNC(=[NH2+])N[C@@H](C)c1ccc(Cl)cc1Cl	ZINC000264135377	672902993	/nfs/dbraw/zinc/90/29/93/672902993.db2.gz	ZLAKMQWDFYSIDS-VIFPVBQESA-N	1	0	367.302	1.898	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2ccc(CS(C)(=O)=O)cc2)CC1	ZINC000264438777	672913404	/nfs/dbraw/zinc/91/34/04/672913404.db2.gz	WLGFMVQWZXQPMB-UHFFFAOYSA-N	1	0	365.499	1.681	20	30		FDEDRO
[NH2+]=C(NCCN1CCCS1(=O)=O)NCc1cccc(C(F)(F)F)c1	ZINC000266969786	673225841	/nfs/dbraw/zinc/22/58/41/673225841.db2.gz	DKSKDVOAOZXAMC-UHFFFAOYSA-N	1	0	364.393	1.145	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CCSC1	ZINC000267329800	673291456	/nfs/dbraw/zinc/29/14/56/673291456.db2.gz	RCGRUJDKWHDGDO-INIZCTEOSA-N	1	0	366.874	1.704	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1cncc(C#N)c1	ZINC000289383907	676127608	/nfs/dbraw/zinc/12/76/08/676127608.db2.gz	CPXYFQGNVRCNBT-KBXCAEBGSA-N	1	0	356.451	1.752	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1	ZINC000289478442	676142209	/nfs/dbraw/zinc/14/22/09/676142209.db2.gz	NVMMXHXLEIESOZ-ZIAGYGMSSA-N	1	0	361.408	1.966	20	30		FDEDRO
C[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)c(Br)c2)CC1	ZINC000279126083	675245994	/nfs/dbraw/zinc/24/59/94/675245994.db2.gz	QOSRXPTXEGNGGS-UHFFFAOYSA-N	1	0	358.261	1.693	20	30		FDEDRO
COc1cc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)ccc1C#N	ZINC000281814405	675563579	/nfs/dbraw/zinc/56/35/79/675563579.db2.gz	WHAZXRGQMNKZOJ-UHFFFAOYSA-N	1	0	373.425	1.921	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000281834647	675566518	/nfs/dbraw/zinc/56/65/18/675566518.db2.gz	VXLCOTZPAGYSHM-WMZOPIPTSA-N	1	0	364.515	1.777	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1	ZINC000282146819	675605009	/nfs/dbraw/zinc/60/50/09/675605009.db2.gz	AABHCYAEQQTDNG-OAHLLOKOSA-N	1	0	364.515	1.892	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000282980609	675645452	/nfs/dbraw/zinc/64/54/52/675645452.db2.gz	MAIYEABELSSCQB-OAHLLOKOSA-N	1	0	363.487	1.401	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)/C=C/c1ccc(S(N)(=O)=O)cc1	ZINC000285144467	675799328	/nfs/dbraw/zinc/79/93/28/675799328.db2.gz	QZGPKLHENXETIX-JXMROGBWSA-N	1	0	364.471	1.041	20	30		FDEDRO
C#CCNC(=O)CC[NH+]1CCN(Cc2csc([C@@H](C)OCC)n2)CC1	ZINC000292711935	676306053	/nfs/dbraw/zinc/30/60/53/676306053.db2.gz	FEQCBQOGMGFDSR-OAHLLOKOSA-N	1	0	364.515	1.498	20	30		FDEDRO
C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)Cc2ccc(F)cc2C#N)C1	ZINC000296101808	676414871	/nfs/dbraw/zinc/41/48/71/676414871.db2.gz	DNCIVZJXKLMZQR-GUYCJALGSA-N	1	0	351.447	1.943	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)NCCCCS(N)(=O)=O)C(C)C	ZINC000296948488	676422136	/nfs/dbraw/zinc/42/21/36/676422136.db2.gz	CBRFSJXASSGOQR-OAHLLOKOSA-N	1	0	360.524	1.053	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1	ZINC000297209106	676425198	/nfs/dbraw/zinc/42/51/98/676425198.db2.gz	YURARLGSJBVNLG-MQVJKMGUSA-N	1	0	363.483	1.506	20	30		FDEDRO
C=CCSCCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000299596502	676537851	/nfs/dbraw/zinc/53/78/51/676537851.db2.gz	URCCCUAOOBWXMG-UHFFFAOYSA-N	1	0	363.531	1.812	20	30		FDEDRO
[NH2+]=C(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)NC[C@@H]1CCCO1	ZINC000303256594	676542292	/nfs/dbraw/zinc/54/22/92/676542292.db2.gz	IHIZJUGMNFXRQQ-IRXDYDNUSA-N	1	0	366.893	1.797	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCC[S@](=O)C(C)(C)C)CC1	ZINC000304752201	676544410	/nfs/dbraw/zinc/54/44/10/676544410.db2.gz	JZUQMQXYAJUVOG-DEOSSOPVSA-N	1	0	360.524	1.401	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCCCOC[C@@H]2CCOC2)cc1OC	ZINC000304764084	676544562	/nfs/dbraw/zinc/54/45/62/676544562.db2.gz	XOJRSJSDNPVLBK-HNNXBMFYSA-N	1	0	351.447	1.551	20	30		FDEDRO
CCO[C@H]1C[C@H](NC(=[NH2+])NCCCN2CCOCC2)C12CCCCC2	ZINC000304781486	676544605	/nfs/dbraw/zinc/54/46/05/676544605.db2.gz	GIQDNOFJRXULFT-IRXDYDNUSA-N	1	0	352.523	1.741	20	30		FDEDRO
C[C@H](CNC(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21)C[NH+]1CCCC1	ZINC000328623372	676600082	/nfs/dbraw/zinc/60/00/82/676600082.db2.gz	YVBGLSOXNGCXEF-BZUAXINKSA-N	1	0	357.520	1.674	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CCCCCC1	ZINC000328673971	676601659	/nfs/dbraw/zinc/60/16/59/676601659.db2.gz	JMHFJDRBBDTCOZ-HNNXBMFYSA-N	1	0	374.551	1.569	20	30		FDEDRO
O=C(Nc1nc(CN2CCCCC2)cs1)N1C[C@@H]2COC[C@H](C1)O2	ZINC000328709226	676603364	/nfs/dbraw/zinc/60/33/64/676603364.db2.gz	FTTILWPWUIKVSD-OKILXGFUSA-N	1	0	352.460	1.774	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@H](S(C)(=O)=O)CC2)C1	ZINC000328714039	676603643	/nfs/dbraw/zinc/60/36/43/676603643.db2.gz	NYLPPQYMLJGKOE-CVEARBPZSA-N	1	0	359.536	1.777	20	30		FDEDRO
C[C@H](NC(=O)NCc1nc(N(C)C)no1)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000328811534	676607996	/nfs/dbraw/zinc/60/79/96/676607996.db2.gz	FFKVZGLKHSKZDH-STQMWFEESA-N	1	0	350.467	1.792	20	30		FDEDRO
C[C@H](CO[C@@H]1CCOC1)NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000328834333	676609069	/nfs/dbraw/zinc/60/90/69/676609069.db2.gz	SAAWKUNWKKBFQE-IXDOHACOSA-N	1	0	355.479	1.139	20	30		FDEDRO
Cn1ncnc1[C@@H]1COCCN1C(=O)NC1CCC(C[NH+](C)C)CC1	ZINC000328849160	676609628	/nfs/dbraw/zinc/60/96/28/676609628.db2.gz	BFSPNEFEKLYZNX-NRXISQOPSA-N	1	0	350.467	1.223	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)CN2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)CC1	ZINC000328945591	676613323	/nfs/dbraw/zinc/61/33/23/676613323.db2.gz	GJHNTVZWHDIWMI-RCCFBDPRSA-N	1	0	353.507	1.678	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCO[C@H]2c2nccn2C)C1	ZINC000328948560	676613520	/nfs/dbraw/zinc/61/35/20/676613520.db2.gz	KOSGOYWWGVKENK-BZUAXINKSA-N	1	0	350.463	1.811	20	30		FDEDRO
CNS(=O)(=O)N1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1	ZINC000329090614	676619544	/nfs/dbraw/zinc/61/95/44/676619544.db2.gz	JCRJQAABHQYSSU-HNNXBMFYSA-N	1	0	358.508	1.136	20	30		FDEDRO
C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1C(=O)NCCN1CCSCC1	ZINC000329095875	676619723	/nfs/dbraw/zinc/61/97/23/676619723.db2.gz	XZJLEZZCTNACFO-INMHGKMJSA-N	1	0	357.520	1.201	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)C1	ZINC000329098005	676619880	/nfs/dbraw/zinc/61/98/80/676619880.db2.gz	YRODIHBPCUGVJF-OAGGEKHMSA-N	1	0	351.495	1.571	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)NCc3nccn3C(F)F)C2)CC1	ZINC000329171648	676623634	/nfs/dbraw/zinc/62/36/34/676623634.db2.gz	KRUYUFUERHYYAX-ZDUSSCGKSA-N	1	0	356.421	1.404	20	30		FDEDRO
CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC[C@@H]2CCCCS2(=O)=O)C1	ZINC000329211446	676625479	/nfs/dbraw/zinc/62/54/79/676625479.db2.gz	ZFCHRFISWJLKBL-JYJNAYRXSA-N	1	0	373.519	1.053	20	30		FDEDRO
O=C(NCCNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccn[nH]1	ZINC000329213149	676625508	/nfs/dbraw/zinc/62/55/08/676625508.db2.gz	IYQGLTWEGVXDQH-CYBMUJFWSA-N	1	0	351.476	1.314	20	30		FDEDRO
C[C@H](NC(=O)CN1CCC[C@@H]1C[NH+]1CCCC1)C(=O)N1CCCCC1	ZINC000329217408	676625971	/nfs/dbraw/zinc/62/59/71/676625971.db2.gz	QBSLCCBIVCOSNZ-DLBZAZTESA-N	1	0	350.507	1.904	20	30		FDEDRO
O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)N1CC[C@H]([NH+]2CCCCC2)C1	ZINC000329237391	676627692	/nfs/dbraw/zinc/62/76/92/676627692.db2.gz	KFYSQZVYZCFORG-QWHCGFSZSA-N	1	0	362.396	1.624	20	30		FDEDRO
CC[C@@H]1CN(C(=O)NCCC2CC[NH+](CC)CC2)C[C@H](C)S1(=O)=O	ZINC000329245353	676628284	/nfs/dbraw/zinc/62/82/84/676628284.db2.gz	VDISOBPTDLFJFI-GOEBONIOSA-N	1	0	359.536	1.920	20	30		FDEDRO
C[C@H](NC(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)C1=CC[N@H+](C)CC1	ZINC000329245348	676628336	/nfs/dbraw/zinc/62/83/36/676628336.db2.gz	VDGWMNLPOKLVHU-DZGCQCFKSA-N	1	0	370.519	1.097	20	30		FDEDRO
CN(C)C(=O)[C@H]1CC[C@@H](C(=O)NCC2([NH+]3CCCC3)CCOCC2)O1	ZINC000329273232	676630083	/nfs/dbraw/zinc/63/00/83/676630083.db2.gz	IXMSDSUNUFVCIY-LSDHHAIUSA-N	1	0	353.463	1.224	20	30		FDEDRO
Cc1ccsc1CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000329278152	676630299	/nfs/dbraw/zinc/63/02/99/676630299.db2.gz	JNNUAJDUCHRQDZ-HNNXBMFYSA-N	1	0	364.515	1.751	20	30		FDEDRO
O=C(C[C@H]1CCS(=O)(=O)C1)Nc1cccc(CN2CCOCC2)c1	ZINC000329286729	676630910	/nfs/dbraw/zinc/63/09/10/676630910.db2.gz	PLCGNZBPEYZDCQ-OAHLLOKOSA-N	1	0	352.456	1.932	20	30		FDEDRO
O=C(N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)[C@@H](C1CC1)[NH+]1CCCC1	ZINC000329296809	676631819	/nfs/dbraw/zinc/63/18/19/676631819.db2.gz	TUANRWYDYGHDPY-GDBMZVCRSA-N	1	0	355.504	1.774	20	30		FDEDRO
C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)C1	ZINC000329334818	676633589	/nfs/dbraw/zinc/63/35/89/676633589.db2.gz	KXKZMXZWCACTLZ-HZPDHXFCSA-N	1	0	351.495	1.607	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@H](NC(=O)C(C)(C)C)C1	ZINC000329357785	676634964	/nfs/dbraw/zinc/63/49/64/676634964.db2.gz	HIDGQDZGAGNCGW-LSDHHAIUSA-N	1	0	353.511	1.613	20	30		FDEDRO
CN(CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CCC(F)(F)CC1	ZINC000329397469	676636901	/nfs/dbraw/zinc/63/69/01/676636901.db2.gz	XVHOLDVHZSZPAW-SNVBAGLBSA-N	1	0	367.418	1.554	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCOC[C@H]2c2ncnn2C)C1	ZINC000329421084	676637816	/nfs/dbraw/zinc/63/78/16/676637816.db2.gz	HATNYYMPFKJMGZ-CABCVRRESA-N	1	0	350.467	1.223	20	30		FDEDRO
CN(C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000329441749	676638753	/nfs/dbraw/zinc/63/87/53/676638753.db2.gz	NEDLIYDOFGAZDI-HNGCFSAESA-N	1	0	362.396	1.621	20	30		FDEDRO
Cc1nc2c(s1)[C@H](N(C)C(=O)NC[C@H]1C[N@H+](C)CCN1C)CCC2	ZINC000329452448	676639409	/nfs/dbraw/zinc/63/94/09/676639409.db2.gz	NHEIBQPJOVFCBP-DZGCQCFKSA-N	1	0	351.520	1.921	20	30		FDEDRO
Cc1c(C(=O)N[C@H](CO)C[NH+]2CCCCC2)cnn1C1CCOCC1	ZINC000329468752	676639990	/nfs/dbraw/zinc/63/99/90/676639990.db2.gz	XBGSNHWMZSATSE-HNNXBMFYSA-N	1	0	350.463	1.694	20	30		FDEDRO
O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1csc(-c2nc[nH]n2)n1	ZINC000329571294	676644546	/nfs/dbraw/zinc/64/45/46/676644546.db2.gz	IXBRBNFZUWHETB-NSHDSACASA-N	1	0	362.459	1.734	20	30		FDEDRO
CN1CCC(CNC(=O)[C@@H]2CCCCS2(=O)=O)(N2CCCCC2)CC1	ZINC000329640822	676647521	/nfs/dbraw/zinc/64/75/21/676647521.db2.gz	ZNAZOFHKGQLLQK-INIZCTEOSA-N	1	0	371.547	1.861	20	30		FDEDRO
CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1	ZINC000329703779	676650597	/nfs/dbraw/zinc/65/05/97/676650597.db2.gz	JBIHUXFFOUPEMY-LSDHHAIUSA-N	1	0	372.535	1.131	20	30		FDEDRO
CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)C1	ZINC000329733228	676652271	/nfs/dbraw/zinc/65/22/71/676652271.db2.gz	JMELVZSFXTZWNW-IVSAIRAKSA-N	1	0	352.479	1.841	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCS(=O)(=O)C2(CCCCC2)C1)[N@H+](C)C1CC1	ZINC000329776266	676655136	/nfs/dbraw/zinc/65/51/36/676655136.db2.gz	NXBAMKCYRAUQSZ-AWEZNQCLSA-N	1	0	357.520	1.816	20	30		FDEDRO
C[C@H](CNC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)C[NH+]1CCN(C)CC1	ZINC000329817971	676658763	/nfs/dbraw/zinc/65/87/63/676658763.db2.gz	WYVDGHZXORXYKO-YYIAUSFCSA-N	1	0	352.523	1.577	20	30		FDEDRO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)C1	ZINC000329816407	676658767	/nfs/dbraw/zinc/65/87/67/676658767.db2.gz	ODWJDPFVRIXLQN-FXUDXRNXSA-N	1	0	357.520	1.671	20	30		FDEDRO
C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(C(F)(F)F)nn1	ZINC000329930247	676664194	/nfs/dbraw/zinc/66/41/94/676664194.db2.gz	ZLHXSUOIORDJBD-NSHDSACASA-N	1	0	360.384	1.847	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C[C@@H](C(N)=O)O1	ZINC000329948481	676665146	/nfs/dbraw/zinc/66/51/46/676665146.db2.gz	KUBQDXHKPQEBDT-KGLIPLIRSA-N	1	0	354.451	1.170	20	30		FDEDRO
CCc1csc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1	ZINC000330160627	676675950	/nfs/dbraw/zinc/67/59/50/676675950.db2.gz	SFEBFXHNZDCTOW-CYBMUJFWSA-N	1	0	351.476	1.489	20	30		FDEDRO
CS(=O)(=O)CC1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1	ZINC000330186907	676677318	/nfs/dbraw/zinc/67/73/18/676677318.db2.gz	KBBKCMOHHVWXKR-UHFFFAOYSA-N	1	0	357.520	1.531	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CCO[C@@H]2CCC[C@H]21	ZINC000330215398	676679222	/nfs/dbraw/zinc/67/92/22/676679222.db2.gz	GZOOXKUFTHMHDD-ZJPYXAASSA-N	1	0	351.491	1.922	20	30		FDEDRO
CC(C)N1C[C@H](NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1=O	ZINC000330232983	676679777	/nfs/dbraw/zinc/67/97/77/676679777.db2.gz	FUFFMVRFXLNXLW-GDBMZVCRSA-N	1	0	352.479	1.000	20	30		FDEDRO
CC[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)C[C@@H]1N1CCOCC1	ZINC000330241667	676680457	/nfs/dbraw/zinc/68/04/57/676680457.db2.gz	FVMBWVJGHNTACE-DZVNLGKHSA-N	1	0	351.491	1.901	20	30		FDEDRO
CC[C@H](C)NC(=O)CN1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1	ZINC000330272440	676682411	/nfs/dbraw/zinc/68/24/11/676682411.db2.gz	XREWYNKNFXSTJR-HNNXBMFYSA-N	1	0	350.507	1.760	20	30		FDEDRO
O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CC[C@@H](O)C12CCCC2	ZINC000330327679	676684230	/nfs/dbraw/zinc/68/42/30/676684230.db2.gz	LBTRALIYSMXYCO-DOTOQJQBSA-N	1	0	351.491	1.781	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1	ZINC000330370856	676685661	/nfs/dbraw/zinc/68/56/61/676685661.db2.gz	GUGXXSNWGSOACZ-HLLBOEOZSA-N	1	0	350.488	1.748	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000330378783	676686979	/nfs/dbraw/zinc/68/69/79/676686979.db2.gz	RUJBERBDGVAONS-FUHWJXTLSA-N	1	0	364.515	1.967	20	30		FDEDRO
CCN(C1CC[NH+](CCCC2(C#N)CCOCC2)CC1)S(C)(=O)=O	ZINC000330385434	676687921	/nfs/dbraw/zinc/68/79/21/676687921.db2.gz	LJSQCMLRVGNLJN-UHFFFAOYSA-N	1	0	357.520	1.833	20	30		FDEDRO
CC(C)[N@H+](C)CCNC(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1	ZINC000330399287	676688842	/nfs/dbraw/zinc/68/88/42/676688842.db2.gz	CXEJVBHILZMHHQ-UHFFFAOYSA-N	1	0	360.524	1.131	20	30		FDEDRO
CCC(=O)N[C@@H]1CCCN(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1	ZINC000330478241	676692596	/nfs/dbraw/zinc/69/25/96/676692596.db2.gz	NMRCBJDLZZTJGH-HZPDHXFCSA-N	1	0	354.495	1.248	20	30		FDEDRO
CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1	ZINC000330537844	676694948	/nfs/dbraw/zinc/69/49/48/676694948.db2.gz	QQGKXQVMOCEYEF-SNVBAGLBSA-N	1	0	361.368	1.668	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc([S@@](C)=O)c(F)c2)[C@H](C)C1	ZINC000330551787	676696356	/nfs/dbraw/zinc/69/63/56/676696356.db2.gz	NFPAWQGDDHNNPD-DIADJTQKSA-N	1	0	357.451	1.496	20	30		FDEDRO
CC1CC[NH+](C[C@H]2CCCN(C(=O)NCCCS(C)(=O)=O)C2)CC1	ZINC000330689669	676700785	/nfs/dbraw/zinc/70/07/85/676700785.db2.gz	ADALEYHZUJYVEO-MRXNPFEDSA-N	1	0	359.536	1.779	20	30		FDEDRO
C[NH+](C)CC1CCC(NC(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)CC1	ZINC000330757997	676703176	/nfs/dbraw/zinc/70/31/76/676703176.db2.gz	LJKXFKXMAHACHM-QDIHITRGSA-N	1	0	374.551	1.471	20	30		FDEDRO
CNS(=O)(=O)c1ccc(C)c(NC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c1	ZINC000330794052	676704254	/nfs/dbraw/zinc/70/42/54/676704254.db2.gz	VYEQEPQFAQNJIJ-CYBMUJFWSA-N	1	0	366.487	1.879	20	30		FDEDRO
Cc1c(CS(C)(=O)=O)cccc1NC(=O)N1CCO[C@H](C[NH+](C)C)C1	ZINC000330823455	676705290	/nfs/dbraw/zinc/70/52/90/676705290.db2.gz	OARKSRAMAXQWSZ-OAHLLOKOSA-N	1	0	369.487	1.348	20	30		FDEDRO
COc1ccc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1[N+](=O)[O-]	ZINC000330828132	676705498	/nfs/dbraw/zinc/70/54/98/676705498.db2.gz	WUPMPKRYEONUEK-UHFFFAOYSA-N	1	0	352.391	1.537	20	30		FDEDRO
CCc1ccc(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cc1S(N)(=O)=O	ZINC000330898536	676708603	/nfs/dbraw/zinc/70/86/03/676708603.db2.gz	UWIUHGTWPPMAPP-NWDGAFQWSA-N	1	0	354.476	1.466	20	30		FDEDRO
CCOC(=O)C(C)(C)n1cc(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cn1	ZINC000330895277	676708621	/nfs/dbraw/zinc/70/86/21/676708621.db2.gz	RTXAVBOMZQXWQH-QWHCGFSZSA-N	1	0	351.451	1.751	20	30		FDEDRO
COC[C@H](NC(=O)N1CC[NH+](CC(C)(C)O)CC1)c1ccc(F)cc1	ZINC000330958420	676710935	/nfs/dbraw/zinc/71/09/35/676710935.db2.gz	DCSNYODVJNRILE-INIZCTEOSA-N	1	0	353.438	1.816	20	30		FDEDRO
CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccccc2S(=O)(=O)N(C)C)C1	ZINC000331099337	676716614	/nfs/dbraw/zinc/71/66/14/676716614.db2.gz	CAZFRYBALMVDEO-CQSZACIVSA-N	1	0	368.503	1.756	20	30		FDEDRO
CC[C@@H]1CN(C(=O)Nc2cn(C)nc2C(F)(F)F)CC[N@@H+]1C[C@H](C)O	ZINC000331320974	676727398	/nfs/dbraw/zinc/72/73/98/676727398.db2.gz	JQTJXKWOEBIRTG-WDEREUQCSA-N	1	0	363.384	1.761	20	30		FDEDRO
CC[N@H+](C)C[C@H]1CCN(C(=O)NC2CCN(S(=O)(=O)C(C)C)CC2)C1	ZINC000331336552	676727945	/nfs/dbraw/zinc/72/79/45/676727945.db2.gz	KLFWEKJIWBFJAH-OAHLLOKOSA-N	1	0	374.551	1.377	20	30		FDEDRO
C[C@@H]1CCN(S(=O)(=O)N(C)CCC#N)CC[N@@H+]1Cc1ccccc1	ZINC000332232227	676737626	/nfs/dbraw/zinc/73/76/26/676737626.db2.gz	PHESQDYAGOHRKI-MRXNPFEDSA-N	1	0	350.488	1.673	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1	ZINC000332383266	676741095	/nfs/dbraw/zinc/74/10/95/676741095.db2.gz	GMVWWDJEZWWLEN-QLFBSQMISA-N	1	0	360.549	1.224	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(F)cc1C#N	ZINC000360455668	676867968	/nfs/dbraw/zinc/86/79/68/676867968.db2.gz	SHSMAVIEOUWORJ-OAGGEKHMSA-N	1	0	367.446	1.570	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C	ZINC000363989865	676983544	/nfs/dbraw/zinc/98/35/44/676983544.db2.gz	ZUXAQXNGBLNPMX-JGGQBBKZSA-N	1	0	352.504	1.898	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cccnc2C#N)[C@H]1c1cccs1	ZINC000364331835	677008548	/nfs/dbraw/zinc/00/85/48/677008548.db2.gz	MGKJRCIVMJIHKC-LRDDRELGSA-N	1	0	362.480	1.986	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)CN[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C	ZINC000364342190	677009042	/nfs/dbraw/zinc/00/90/42/677009042.db2.gz	MAJVWRLIADTMBN-BRSBDYLESA-N	1	0	350.507	1.474	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1	ZINC000369529181	677505920	/nfs/dbraw/zinc/50/59/20/677505920.db2.gz	WQBDTQMTGJKWQM-AEFFLSMTSA-N	1	0	364.515	1.967	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)NC1CC[NH+](CC2CCCC2)CC1	ZINC000370203148	677552255	/nfs/dbraw/zinc/55/22/55/677552255.db2.gz	ZGAHSPUASHXPDK-OAHLLOKOSA-N	1	0	356.536	1.957	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H](N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1=O	ZINC000370226961	677554333	/nfs/dbraw/zinc/55/43/33/677554333.db2.gz	FZSNVIURIKJDPP-JYJNAYRXSA-N	1	0	360.483	1.256	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)c([N+](=O)[O-])c1	ZINC000370981704	677635366	/nfs/dbraw/zinc/63/53/66/677635366.db2.gz	DYFUXZOAORIXLO-AWEZNQCLSA-N	1	0	364.427	1.212	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@]2(N3CCOCC3)CCSC2)CC1	ZINC000371600002	677735674	/nfs/dbraw/zinc/73/56/74/677735674.db2.gz	SSSIMIFEUIAWSD-GOSISDBHSA-N	1	0	368.547	1.144	20	30		FDEDRO
CN(C1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)c1cccnc1C#N	ZINC000375946963	678201505	/nfs/dbraw/zinc/20/15/05/678201505.db2.gz	JMARAOVYNUXDTF-UHFFFAOYSA-N	1	0	357.439	1.638	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](N3CCOCC3)C[C@H]2C)CC1	ZINC000376327844	678275969	/nfs/dbraw/zinc/27/59/69/678275969.db2.gz	NAJOQXVPPVWCKV-AEFFLSMTSA-N	1	0	350.507	1.532	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](N3CCOCC3)[C@H]2C)CC1	ZINC000377350376	678525136	/nfs/dbraw/zinc/52/51/36/678525136.db2.gz	LJWULAJPWGIQHL-SJLPKXTDSA-N	1	0	350.507	1.532	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)CCC(C)(C)C#N)CC1	ZINC000377860472	678634197	/nfs/dbraw/zinc/63/41/97/678634197.db2.gz	MUMVZAXYNQIHTQ-INIZCTEOSA-N	1	0	356.536	1.358	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CCN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc1	ZINC000377959334	678659903	/nfs/dbraw/zinc/65/99/03/678659903.db2.gz	QRMBXUMAJSAWBW-NEWSRXKRSA-N	1	0	359.495	1.748	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](N3CC[NH+]([C@@H]4CCSC4)CC3)C2=O)cc1	ZINC000378015956	678672825	/nfs/dbraw/zinc/67/28/25/678672825.db2.gz	CGWWMULUPVZICG-MSOLQXFVSA-N	1	0	356.495	1.787	20	30		FDEDRO
C[C@H]1COCC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1	ZINC000378444540	678747180	/nfs/dbraw/zinc/74/71/80/678747180.db2.gz	NBCIDQAEJHCRHD-CVEARBPZSA-N	1	0	362.499	1.425	20	30		FDEDRO
CC[NH+](CC)CCOC1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1	ZINC000410147946	678885931	/nfs/dbraw/zinc/88/59/31/678885931.db2.gz	ATQGRXIIHVAHAT-HNNXBMFYSA-N	1	0	360.524	1.145	20	30		FDEDRO
C[C@H]1C[N@H+](CCO)CCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000411868133	679085310	/nfs/dbraw/zinc/08/53/10/679085310.db2.gz	IYLKLSZSHPFMTI-ZDUSSCGKSA-N	1	0	350.850	1.539	20	30		FDEDRO
CN(CC(=O)Nc1ccccc1Br)C(=O)[C@@H]([NH3+])CCCC#N	ZINC000424075068	680828692	/nfs/dbraw/zinc/82/86/92/680828692.db2.gz	IPLXROBNIDWXFA-LBPRGKRZSA-N	1	0	367.247	1.867	20	30		FDEDRO
CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)C(=O)[C@@H]([NH3+])CCCC#N	ZINC000424183637	680831395	/nfs/dbraw/zinc/83/13/95/680831395.db2.gz	BPOFVOLVKPXOBZ-IHRRRGAJSA-N	1	0	353.467	1.535	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1	ZINC000414894762	679372817	/nfs/dbraw/zinc/37/28/17/679372817.db2.gz	LSCJJFFYKMINRW-UONOGXRCSA-N	1	0	366.487	1.694	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]([NH2+]C)C2)cc1	ZINC000414894955	679373111	/nfs/dbraw/zinc/37/31/11/679373111.db2.gz	MDFYCLUQFFFJSL-OAHLLOKOSA-N	1	0	366.487	1.709	20	30		FDEDRO
C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1	ZINC000415381952	679419585	/nfs/dbraw/zinc/41/95/85/679419585.db2.gz	VKYOKUFDBCNUCF-NSHDSACASA-N	1	0	352.341	1.309	20	30		FDEDRO
CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000415485408	679438327	/nfs/dbraw/zinc/43/83/27/679438327.db2.gz	QDMUKQGDNPBTQA-UHFFFAOYSA-N	1	0	367.247	1.703	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)NC[C@H]([NH3+])CC)c(C#N)cn1CCOC	ZINC000415487253	679438668	/nfs/dbraw/zinc/43/86/68/679438668.db2.gz	KJYWFAFFCHQCDO-GFCCVEGCSA-N	1	0	351.407	1.042	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)N[C@@H](C)CC[NH3+])c(C#N)cn1CCOC	ZINC000415495835	679440044	/nfs/dbraw/zinc/44/00/44/679440044.db2.gz	ROEMULZQZHEMOX-NSHDSACASA-N	1	0	351.407	1.042	20	30		FDEDRO
C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000415540451	679447715	/nfs/dbraw/zinc/44/77/15/679447715.db2.gz	LUXWBWDGJUIZQJ-UWVGGRQHSA-N	1	0	365.231	1.455	20	30		FDEDRO
C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000415741098	679490292	/nfs/dbraw/zinc/49/02/92/679490292.db2.gz	KEDWNWHNIGQPCT-JTQLQIEISA-N	1	0	354.357	1.732	20	30		FDEDRO
CC1(C)CN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC[NH2+]1	ZINC000415823572	679515188	/nfs/dbraw/zinc/51/51/88/679515188.db2.gz	QPRQQZFYMYPLQD-UHFFFAOYSA-N	1	0	365.231	1.470	20	30		FDEDRO
CC(C)(C)c1csc(NC(=O)C(=O)N2CCOC3(C[NH2+]C3)C2)c1C#N	ZINC000415892228	679534172	/nfs/dbraw/zinc/53/41/72/679534172.db2.gz	LJPHXOUUWACSLJ-UHFFFAOYSA-N	1	0	362.455	1.057	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000416490218	679638210	/nfs/dbraw/zinc/63/82/10/679638210.db2.gz	UTEPRHQBBQJGRR-SJLPKXTDSA-N	1	0	362.499	1.120	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)c1cccnc1C#N	ZINC000416562423	679654135	/nfs/dbraw/zinc/65/41/35/679654135.db2.gz	WJRNXDWHSCJDRY-UHFFFAOYSA-N	1	0	350.469	1.767	20	30		FDEDRO
C=CCSCCNC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1	ZINC000417328719	679758108	/nfs/dbraw/zinc/75/81/08/679758108.db2.gz	GXOFATLCDXJUFF-LSDHHAIUSA-N	1	0	354.520	1.195	20	30		FDEDRO
C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1CC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000419350838	680242558	/nfs/dbraw/zinc/24/25/58/680242558.db2.gz	ZVFBDJKIONCAOY-QWHCGFSZSA-N	1	0	350.850	1.537	20	30		FDEDRO
C=CCC[C@H](CO)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1	ZINC000419711116	680332767	/nfs/dbraw/zinc/33/27/67/680332767.db2.gz	MYLPRNYZZUCDIL-LLVKDONJSA-N	1	0	363.277	1.513	20	30		FDEDRO
C=CCN(CC1CCCCC1)C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C	ZINC000420012115	680389474	/nfs/dbraw/zinc/38/94/74/680389474.db2.gz	AQEIHEXPJJSKFX-HOCLYGCPSA-N	1	0	351.491	1.811	20	30		FDEDRO
C=CCSc1ccccc1NC(=O)CN1CC[C@H](N2CC[NH2+]CC2)C1	ZINC000420347460	680434442	/nfs/dbraw/zinc/43/44/42/680434442.db2.gz	GTIVYWJKAMIEJW-INIZCTEOSA-N	1	0	360.527	1.883	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC(C[NH3+])CC2)cc1Br	ZINC000420408002	680441259	/nfs/dbraw/zinc/44/12/59/680441259.db2.gz	VIYCYFHABHSKNH-UHFFFAOYSA-N	1	0	358.261	1.680	20	30		FDEDRO
C[C@@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000420421068	680444216	/nfs/dbraw/zinc/44/42/16/680444216.db2.gz	FKCBXAYKOJDBOP-TVQRCGJNSA-N	1	0	358.261	1.740	20	30		FDEDRO
C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cccc(Br)c2C#N)C1	ZINC000420437021	680450155	/nfs/dbraw/zinc/45/01/55/680450155.db2.gz	PJKLDPDQYKMRCS-SNVBAGLBSA-N	1	0	358.261	1.693	20	30		FDEDRO
CC(C)C[C@@H](C[NH3+])NS(=O)(=O)c1cccc(Br)c1C#N	ZINC000420443606	680453991	/nfs/dbraw/zinc/45/39/91/680453991.db2.gz	GJHNCBJPJBTJBW-JTQLQIEISA-N	1	0	360.277	1.972	20	30		FDEDRO
CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CCCOc1cccc(C#N)c1	ZINC000429705605	681044980	/nfs/dbraw/zinc/04/49/80/681044980.db2.gz	DANQOPCIUPUPMF-SJORKVTESA-N	1	0	351.472	1.777	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O	ZINC000429721869	681046017	/nfs/dbraw/zinc/04/60/17/681046017.db2.gz	HWJWQRCRSUMNRR-GJZGRUSLSA-N	1	0	367.471	1.396	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O	ZINC000429721872	681046035	/nfs/dbraw/zinc/04/60/35/681046035.db2.gz	HWJWQRCRSUMNRR-LSDHHAIUSA-N	1	0	367.471	1.396	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](CCO)[C@@H]2CC[C@@H](C)C2)CC1	ZINC000429769859	681047033	/nfs/dbraw/zinc/04/70/33/681047033.db2.gz	JELPGYJKXZSWPK-KZNAEPCWSA-N	1	0	350.507	1.162	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1	ZINC000432331086	681153023	/nfs/dbraw/zinc/15/30/23/681153023.db2.gz	IYIGFJYPWQELEA-HNNXBMFYSA-N	1	0	351.472	1.646	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)s1	ZINC000435426230	681592824	/nfs/dbraw/zinc/59/28/24/681592824.db2.gz	HBZJGXDZUJHMLY-LSDHHAIUSA-N	1	0	369.512	1.666	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1	ZINC000437934035	681823100	/nfs/dbraw/zinc/82/31/00/681823100.db2.gz	PCOIMMGDEKZVLU-AEFFLSMTSA-N	1	0	352.523	1.635	20	30		FDEDRO
N#Cc1cc(Br)ccc1C(=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000450247862	682747340	/nfs/dbraw/zinc/74/73/40/682747340.db2.gz	ZSOLKBCHVQFOQZ-AWEZNQCLSA-N	1	0	366.259	1.897	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)NCc1cc(OC)c(OC)cc1OC	ZINC000451602153	682904971	/nfs/dbraw/zinc/90/49/71/682904971.db2.gz	WPUNMVTWCWTHIZ-KGLIPLIRSA-N	1	0	350.415	1.262	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCCCN2CCO)cc1Cl	ZINC000451668804	682919311	/nfs/dbraw/zinc/91/93/11/682919311.db2.gz	WPHFQPLNLLNWSU-ZDUSSCGKSA-N	1	0	357.863	1.337	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1	ZINC000452098572	683026390	/nfs/dbraw/zinc/02/63/90/683026390.db2.gz	UPJXYVFIQAWHTN-INIZCTEOSA-N	1	0	365.499	1.706	20	30		FDEDRO
CC(C)(CNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1)[NH+]1CCCCC1	ZINC000453581457	683166563	/nfs/dbraw/zinc/16/65/63/683166563.db2.gz	RNTPNKKAIZLJLK-UHFFFAOYSA-N	1	0	363.849	1.926	20	30		FDEDRO
N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c1	ZINC000453819119	683220879	/nfs/dbraw/zinc/22/08/79/683220879.db2.gz	MGCAUOCHXALBAE-ZDUSSCGKSA-N	1	0	364.833	1.113	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2nn(C)cc2Br)CC1	ZINC000454539783	683332083	/nfs/dbraw/zinc/33/20/83/683332083.db2.gz	JFELKOMSQFJUFN-UHFFFAOYSA-N	1	0	356.268	1.632	20	30		FDEDRO
CC(C)[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C1(CO)CCCC1	ZINC000459541720	684422450	/nfs/dbraw/zinc/42/24/50/684422450.db2.gz	MWEZYPLNLBTQHM-QGZVFWFLSA-N	1	0	365.499	1.894	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000459909810	684483556	/nfs/dbraw/zinc/48/35/56/684483556.db2.gz	QKYZQYAMWSMTOR-IYBDPMFKSA-N	1	0	351.491	1.369	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1	ZINC000462491856	684643772	/nfs/dbraw/zinc/64/37/72/684643772.db2.gz	SKVCOOFWWPJYJQ-UKRRQHHQSA-N	1	0	351.472	1.363	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)c1	ZINC000462677217	684657064	/nfs/dbraw/zinc/65/70/64/684657064.db2.gz	LNZVEGFKELISCH-HNNXBMFYSA-N	1	0	365.499	1.565	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1CCC([N@H+](C)C[C@@H](C)O)CC1	ZINC000463527575	684696787	/nfs/dbraw/zinc/69/67/87/684696787.db2.gz	SDSHHMCCIJQHGL-CYBMUJFWSA-N	1	0	367.471	1.033	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1	ZINC000480856741	686239724	/nfs/dbraw/zinc/23/97/24/686239724.db2.gz	KMPPJDLXESOCKJ-CXAGYDPISA-N	1	0	363.483	1.363	20	30		FDEDRO
CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)Cc2ccc(C#N)cc2F)CC1	ZINC000481014864	686279595	/nfs/dbraw/zinc/27/95/95/686279595.db2.gz	PKQIQCVTHRQFPK-INIZCTEOSA-N	1	0	369.462	1.210	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1	ZINC000481021722	686281745	/nfs/dbraw/zinc/28/17/45/686281745.db2.gz	XZGROIUREHPYDD-GJZGRUSLSA-N	1	0	355.548	1.895	20	30		FDEDRO
C[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000488807990	687060666	/nfs/dbraw/zinc/06/06/66/687060666.db2.gz	PVXNJHSKTBNQPE-OAGGEKHMSA-N	1	0	362.499	1.160	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)c1	ZINC000489349683	687093998	/nfs/dbraw/zinc/09/39/98/687093998.db2.gz	MGRPMWFXVIOFGQ-QGZVFWFLSA-N	1	0	365.499	1.563	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2cnc(C)c(C#N)c2)C1	ZINC000489522614	687103609	/nfs/dbraw/zinc/10/36/09/687103609.db2.gz	ZBAZADPPCUPGIL-INIZCTEOSA-N	1	0	366.487	1.383	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN([C@H]2CC[NH2+]C2)CC1	ZINC000489909136	687121400	/nfs/dbraw/zinc/12/14/00/687121400.db2.gz	STDNMRHAYOXHSB-IRXDYDNUSA-N	1	0	362.543	1.631	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2cc(OC)cc(S(C)(=O)=O)c2)CC1	ZINC000490661047	687148353	/nfs/dbraw/zinc/14/83/53/687148353.db2.gz	HTKXAJVWCXPHLS-UHFFFAOYSA-N	1	0	367.471	1.871	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCO[C@H](C(=O)OC)C1)C(C)C	ZINC000503397842	688354316	/nfs/dbraw/zinc/35/43/16/688354316.db2.gz	INNRJQIQJHJPJP-HOTGVXAUSA-N	1	0	353.463	1.268	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCO[C@@H](C(=O)OC)C1)C(C)C	ZINC000503397845	688354351	/nfs/dbraw/zinc/35/43/51/688354351.db2.gz	INNRJQIQJHJPJP-HZPDHXFCSA-N	1	0	353.463	1.268	20	30		FDEDRO
C=CCn1c([C@@H](C)OCCOC)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1	ZINC000508748855	688749860	/nfs/dbraw/zinc/74/98/60/688749860.db2.gz	SSPOKFIUGFXXGY-HZPDHXFCSA-N	1	0	351.495	1.965	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1	ZINC000510903023	689435093	/nfs/dbraw/zinc/43/50/93/689435093.db2.gz	NWDCJFCCOJFYQU-AWEZNQCLSA-N	1	0	361.408	1.968	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1	ZINC000510917383	689437031	/nfs/dbraw/zinc/43/70/31/689437031.db2.gz	OOIDKWZBAFWSLW-ZDUSSCGKSA-N	1	0	362.396	1.529	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1	ZINC000510917382	689437110	/nfs/dbraw/zinc/43/71/10/689437110.db2.gz	OOIDKWZBAFWSLW-CYBMUJFWSA-N	1	0	362.396	1.529	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000641344137	696059455	/nfs/dbraw/zinc/05/94/55/696059455.db2.gz	UKKNJLNVNIEMFU-WBVHZDCISA-N	1	0	365.499	1.186	20	30		FDEDRO
C=CC1CCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1	ZINC000641840019	696229194	/nfs/dbraw/zinc/22/91/94/696229194.db2.gz	PMFAIHYOOZKGHP-GOSISDBHSA-N	1	0	350.507	1.391	20	30		FDEDRO
N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1C[C@H]2C[NH2+]C[C@@]2(CO)C1	ZINC001164403759	718850334	/nfs/dbraw/zinc/85/03/34/718850334.db2.gz	IJVKVWPVVMLOND-OQPBUACISA-N	1	0	363.195	1.823	20	30		FDEDRO
N#Cc1cnc(Cl)cc1C(F)(F)N1CCCO[C@@]2(C[NH2+]CCOC2)C1	ZINC001164424288	718914575	/nfs/dbraw/zinc/91/45/75/718914575.db2.gz	MRZAKFTYMMRNDI-HNNXBMFYSA-N	1	0	372.803	1.737	20	30		FDEDRO
COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C	ZINC001164672474	719409074	/nfs/dbraw/zinc/40/90/74/719409074.db2.gz	RWGSJOQURSOMEX-CVEARBPZSA-N	1	0	373.529	1.616	20	30		FDEDRO
Cn1nnc2c1CCN(c1ncccc1C#N)[C@@H]2COCC[NH+]1CCCC1	ZINC001164712343	720167848	/nfs/dbraw/zinc/16/78/48/720167848.db2.gz	FSZFDQXFIMSVLA-QGZVFWFLSA-N	1	0	367.457	1.298	20	30		FDEDRO
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cnc(C#N)cn1)CCC2	ZINC001164810897	720213948	/nfs/dbraw/zinc/21/39/48/720213948.db2.gz	FMCHDTFOBZHNAB-UHFFFAOYSA-N	1	0	353.430	1.155	20	30		FDEDRO
N#Cc1cc(F)c(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164740918	720610149	/nfs/dbraw/zinc/61/01/49/720610149.db2.gz	KJEVSCOUOPRSED-QWHCGFSZSA-N	1	0	374.807	1.878	20	30		FDEDRO
COc1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1C#N	ZINC001164739608	720673501	/nfs/dbraw/zinc/67/35/01/720673501.db2.gz	OFWJYJBZZDBGQZ-KBPBESRZSA-N	1	0	352.398	1.094	20	30		FDEDRO
N#Cc1c[nH]c2nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)ccc12	ZINC001164738474	720714555	/nfs/dbraw/zinc/71/45/55/720714555.db2.gz	JWTPRKLSFIBDMQ-LSDHHAIUSA-N	1	0	361.409	1.566	20	30		FDEDRO
N#Cc1cccnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC001164751239	720812009	/nfs/dbraw/zinc/81/20/09/720812009.db2.gz	XPJACDWBNHLYKU-GBESFXJTSA-N	1	0	363.469	1.924	20	30		FDEDRO
N#Cc1cncc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1	ZINC001164746216	720816670	/nfs/dbraw/zinc/81/66/70/720816670.db2.gz	YOKDHKSXGJTFNU-BPQIPLTHSA-N	1	0	364.457	1.319	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3nc(C#N)ccc3[N+](=O)[O-])CC[C@H]2C1	ZINC001164856697	720853661	/nfs/dbraw/zinc/85/36/61/720853661.db2.gz	PALCNYNVTXVUSW-BBRMVZONSA-N	1	0	361.402	1.035	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3[nH]ccc4ncc(C#N)c3-4)CC[C@@H]2C1	ZINC001164852108	720869992	/nfs/dbraw/zinc/86/99/92/720869992.db2.gz	CBQHXMHWSMBLAX-PBHICJAKSA-N	1	0	355.442	1.608	20	30		FDEDRO
Cc1cnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(C#N)n1	ZINC001164879812	721129773	/nfs/dbraw/zinc/12/97/73/721129773.db2.gz	UHIXXRNEUDGICY-IAGOWNOFSA-N	1	0	350.426	1.531	20	30		FDEDRO
Cc1nc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)cnc1C#N	ZINC001164896545	721428595	/nfs/dbraw/zinc/42/85/95/721428595.db2.gz	RMKZXCCCGWYFBN-FXAWDEMLSA-N	1	0	370.501	1.422	20	30		FDEDRO
C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(Cl)cc(C#N)n2)CC3)CC1	ZINC001164794752	721512140	/nfs/dbraw/zinc/51/21/40/721512140.db2.gz	VJDGSYKSBULPJR-UHFFFAOYSA-N	1	0	371.876	1.571	20	30		FDEDRO
CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc3[nH]c(C#N)cc3n2)CC1	ZINC001165010837	721744297	/nfs/dbraw/zinc/74/42/97/721744297.db2.gz	POEXKCPTZGIXDT-UHFFFAOYSA-N	1	0	366.469	1.958	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CN(C)CCO2)C1	ZINC001087424120	805580760	/nfs/dbraw/zinc/58/07/60/805580760.db2.gz	KJUYBCNRBCEFDG-VAMGGRTRSA-N	1	0	357.498	1.867	20	30		FDEDRO
CC#CCCNC(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1	ZINC000413460578	782349378	/nfs/dbraw/zinc/34/93/78/782349378.db2.gz	OSQRWOFEMNRGRA-UHFFFAOYSA-N	1	0	356.470	1.597	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cc3n(n2)CCCO3)C[C@H]1C	ZINC001104407910	782380167	/nfs/dbraw/zinc/38/01/67/782380167.db2.gz	PLCYEEYFRCLOFV-HZPDHXFCSA-N	1	0	360.458	1.003	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C1	ZINC001022718536	782577201	/nfs/dbraw/zinc/57/72/01/782577201.db2.gz	BXRZPNLPNDXYAS-CIRFHOKZSA-N	1	0	370.453	1.050	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3cc(C)[nH]c3C)[C@@H]2C1	ZINC000972168795	782700303	/nfs/dbraw/zinc/70/03/03/782700303.db2.gz	CLNYMJKAYKCMIO-NZSAHSFTSA-N	1	0	368.481	1.402	20	30		FDEDRO
Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC001022734052	782766751	/nfs/dbraw/zinc/76/67/51/782766751.db2.gz	IMOOLWICDMIAQA-YYIAUSFCSA-N	1	0	367.428	1.971	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCC[C@H]2CC)C1	ZINC001022736927	782798516	/nfs/dbraw/zinc/79/85/16/782798516.db2.gz	JVVCZEMNDOERLI-ILOCAZANSA-N	1	0	363.502	1.605	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCO[C@@H]3C[N@H+](CC[C@H]4CCCCO4)C[C@@H]32)c1	ZINC001083188279	769982192	/nfs/dbraw/zinc/98/21/92/769982192.db2.gz	MXGMRQRRYVHWMT-HSALFYBXSA-N	1	0	369.465	1.547	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3nncn3CC1)C2	ZINC001112477383	770088306	/nfs/dbraw/zinc/08/83/06/770088306.db2.gz	DBJPWBRWBRNYAO-UWVAXJGDSA-N	1	0	355.486	1.472	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+](C)C	ZINC000969507726	770337389	/nfs/dbraw/zinc/33/73/89/770337389.db2.gz	URBISMGNSOIBQF-MDMSPXHWSA-N	1	0	363.502	1.366	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3[nH]ccc3n2)C[C@H]1C	ZINC001104414476	782836111	/nfs/dbraw/zinc/83/61/11/782836111.db2.gz	YGPSZDKBSSNQLF-HZPDHXFCSA-N	1	0	354.454	1.901	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C[C@H]1C	ZINC001104228975	770741780	/nfs/dbraw/zinc/74/17/80/770741780.db2.gz	XCUZGGYPUZTBHL-QRQLOZEOSA-N	1	0	359.514	1.733	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnc(C(F)(F)F)nc2)C1	ZINC001020604832	770982837	/nfs/dbraw/zinc/98/28/37/770982837.db2.gz	QLIGPDYSTSHQQB-SYQHCUMBSA-N	1	0	370.375	1.823	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc3c2OCCO3)C1	ZINC001020605285	770983607	/nfs/dbraw/zinc/98/36/07/770983607.db2.gz	AFKNAQJNEFSITD-VQHPVUNQSA-N	1	0	358.438	1.786	20	30		FDEDRO
COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)cc1C#N	ZINC001022744918	782892412	/nfs/dbraw/zinc/89/24/12/782892412.db2.gz	KUMCVMRZZUCJCI-MUDKKEKZSA-N	1	0	355.438	1.871	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC(C)=C(C)C2)C[C@H]1C	ZINC001104230369	771266506	/nfs/dbraw/zinc/26/65/06/771266506.db2.gz	SODWIKNMPLKQNK-CEXWTWQISA-N	1	0	359.514	1.947	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](NC(=O)C[NH+]3CCC(C)CC3)[C@@H](O)C2)CC1	ZINC000970071313	771297110	/nfs/dbraw/zinc/29/71/10/771297110.db2.gz	JSNLRHRNIBRLKQ-MSOLQXFVSA-N	1	0	363.502	1.153	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C(N)=O)c2)C1	ZINC001020726794	771304403	/nfs/dbraw/zinc/30/44/03/771304403.db2.gz	XMNKSRFTIUMSMW-XSLAGTTESA-N	1	0	357.454	1.504	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc3n(n2)CCCC3)C1	ZINC001020726487	771307792	/nfs/dbraw/zinc/30/77/92/771307792.db2.gz	NJBXPHKAZOHUIO-LNMJFAINSA-N	1	0	358.486	1.937	20	30		FDEDRO
CC[C@@H](C(=O)N1CCO[C@@H]2CN(CC#Cc3ccccc3)C[C@@H]21)[NH+](C)C	ZINC001083195893	771422165	/nfs/dbraw/zinc/42/21/65/771422165.db2.gz	UKMJBTHQEPZBAC-SLFFLAALSA-N	1	0	355.482	1.290	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cc(-c3ccn(C)n3)on2)C[C@H]1C	ZINC001104237885	771477682	/nfs/dbraw/zinc/47/76/82/771477682.db2.gz	UXQMMLQZIJEJCH-HUUCEWRRSA-N	1	0	355.442	1.786	20	30		FDEDRO
N#Cc1cc(F)cc(C2(C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)CC2)c1	ZINC000510249577	771792086	/nfs/dbraw/zinc/79/20/86/771792086.db2.gz	AHVFVTICSXDUIA-INIZCTEOSA-N	1	0	358.417	1.185	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H](n2cc(C[NH2+]C(C)C)nn2)C1	ZINC001075376081	771848070	/nfs/dbraw/zinc/84/80/70/771848070.db2.gz	LUZXBCNFBQQQOF-KSZLIROESA-N	1	0	361.490	1.921	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3ccsc3)[C@@H]2C1	ZINC001021035512	771961576	/nfs/dbraw/zinc/96/15/76/771961576.db2.gz	AHFCKEQHUOCTPV-BHYGNILZSA-N	1	0	357.479	1.519	20	30		FDEDRO
CCCC1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)CCC1	ZINC001112512410	782972637	/nfs/dbraw/zinc/97/26/37/782972637.db2.gz	ARLAARUGYZAAEK-JXFKEZNVSA-N	1	0	360.502	1.815	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCCCC2)C1	ZINC000970221466	772130951	/nfs/dbraw/zinc/13/09/51/772130951.db2.gz	YDWFMIYKYQYAOU-AOIWGVFYSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccnc(N(C)C)c2)C1	ZINC000970241415	772160002	/nfs/dbraw/zinc/16/00/02/772160002.db2.gz	IFTQARLXSRTTJY-AOIWGVFYSA-N	1	0	358.486	1.819	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](NCc2ncnn2CC(F)F)C1	ZINC000970242114	772185204	/nfs/dbraw/zinc/18/52/04/772185204.db2.gz	SQPGTBNWIGCART-WWGRRREGSA-N	1	0	369.416	1.215	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C[C@@H]2O)CC1	ZINC000970336373	772361657	/nfs/dbraw/zinc/36/16/57/772361657.db2.gz	LEVBGGKFCKASRP-SQNIBIBYSA-N	1	0	363.502	1.295	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2ccco2)CC1	ZINC001167295290	772402616	/nfs/dbraw/zinc/40/26/16/772402616.db2.gz	FDYKXXFZTQCMRD-ARFHVFGLSA-N	1	0	357.454	1.397	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1C	ZINC001104258052	772469136	/nfs/dbraw/zinc/46/91/36/772469136.db2.gz	QMWAHLWQQZAAFR-OWCLPIDISA-N	1	0	359.536	1.307	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CCCN2C(=O)CCC2=O)C[C@H]1C	ZINC001104264241	772570107	/nfs/dbraw/zinc/57/01/07/772570107.db2.gz	GSKIDJKMHDYVIR-IAGOWNOFSA-N	1	0	363.502	1.956	20	30		FDEDRO
C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC#N)CC1	ZINC001021260516	772673220	/nfs/dbraw/zinc/67/32/20/772673220.db2.gz	UYFGGFMZDQNITA-TZOQOTQKSA-N	1	0	360.502	1.368	20	30		FDEDRO
CCc1cc(N2CCC([NH2+][C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)ncn1	ZINC000479392650	783038014	/nfs/dbraw/zinc/03/80/14/783038014.db2.gz	OICWQSQQOOVGFB-LJQANCHMSA-N	1	0	364.453	1.696	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]C[C@H](C)OC)C2)CCOCC1	ZINC001104279698	772755398	/nfs/dbraw/zinc/75/53/98/772755398.db2.gz	LWXFLLHVWYAMRD-FGTMMUONSA-N	1	0	350.503	1.916	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)[C@@]45CC[N@H+](C4)CCC5)C[C@H]32)[nH]1	ZINC001021411410	773234980	/nfs/dbraw/zinc/23/49/80/773234980.db2.gz	LLBBBNXLKLRHRI-NQYLQCIDSA-N	1	0	367.453	1.045	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3CN(C(=O)[C@@]45CC[N@H+](C4)CCC5)C[C@H]32)c[nH]1	ZINC001021428496	773307265	/nfs/dbraw/zinc/30/72/65/773307265.db2.gz	NPRWNSKPXKOENV-NQYLQCIDSA-N	1	0	367.453	1.045	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn(C(C)C)cn1)C2	ZINC001112493424	773797635	/nfs/dbraw/zinc/79/76/35/773797635.db2.gz	WLGBZIGWPPMRNI-PXNSSMCTSA-N	1	0	358.486	1.946	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCNC(=O)CC1)C2	ZINC001112494360	773936288	/nfs/dbraw/zinc/93/62/88/773936288.db2.gz	QKNQJDUTWLXZDG-UWVAXJGDSA-N	1	0	363.502	1.324	20	30		FDEDRO
CN(C)C(=O)c1ccccc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000275865609	774165404	/nfs/dbraw/zinc/16/54/04/774165404.db2.gz	MTEJSWYWHDRWQI-UHFFFAOYSA-N	1	0	373.457	1.021	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CCC2)cc1	ZINC000275898930	774417877	/nfs/dbraw/zinc/41/78/77/774417877.db2.gz	TWXUIBURXXYMGT-UHFFFAOYSA-N	1	0	358.442	1.141	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C3CC3)on1)C2	ZINC001112498485	774567667	/nfs/dbraw/zinc/56/76/67/774567667.db2.gz	MIHQZZAWXGLDMU-YWZLYKJASA-N	1	0	370.453	1.133	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1	ZINC001211551824	783195996	/nfs/dbraw/zinc/19/59/96/783195996.db2.gz	XRPRJBAXWDNDLF-YESZJQIVSA-N	1	0	355.438	1.342	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cc(-c2cnn(C)c2)no1	ZINC001087136573	774676914	/nfs/dbraw/zinc/67/69/14/774676914.db2.gz	ZFEYSRLVTQGVSQ-FMKPAKJESA-N	1	0	370.457	1.951	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)Cc2ccon2)C1=O	ZINC001087138256	774797114	/nfs/dbraw/zinc/79/71/14/774797114.db2.gz	DHYUIIHXTNKHPV-PVAVHDDUSA-N	1	0	360.458	1.221	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(=O)N2CCCC2)CC1	ZINC001167434954	774823915	/nfs/dbraw/zinc/82/39/15/774823915.db2.gz	ASBHZHSRUIZRIF-WMZOPIPTSA-N	1	0	363.502	1.466	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21	ZINC000275987907	774861031	/nfs/dbraw/zinc/86/10/31/774861031.db2.gz	QANRDYQAJSIMON-GOEBONIOSA-N	1	0	356.426	1.448	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1COC	ZINC000891346157	775040141	/nfs/dbraw/zinc/04/01/41/775040141.db2.gz	HJSXRQDEGBPTON-OAHLLOKOSA-N	1	0	355.479	1.589	20	30		FDEDRO
C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C1(CCc2ccccc2)CC1	ZINC001211508687	775290869	/nfs/dbraw/zinc/29/08/69/775290869.db2.gz	CYEOHBWIPPDPDG-SJLPKXTDSA-N	1	0	368.481	1.476	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCCCS(N)(=O)=O)C1	ZINC001211509129	775388300	/nfs/dbraw/zinc/38/83/00/775388300.db2.gz	ZRLINSPJWKTXNS-OWCLPIDISA-N	1	0	359.536	1.627	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNS(C)(=O)=O)C1	ZINC001104731392	790392065	/nfs/dbraw/zinc/39/20/65/790392065.db2.gz	GTMVCMWADNOUGQ-HUUCEWRRSA-N	1	0	359.536	1.212	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3nc[nH]c3n2)C[C@H]1C	ZINC001104340540	775864950	/nfs/dbraw/zinc/86/49/50/775864950.db2.gz	INONLRZUROLFOC-HUUCEWRRSA-N	1	0	355.442	1.296	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccsc2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104349886	776352354	/nfs/dbraw/zinc/35/23/54/776352354.db2.gz	VEFBTHTUSWLTEL-TXCZRRACSA-N	1	0	374.510	1.566	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@@H](C)C4CC4)C[C@H]32)CC1	ZINC001021883868	776487413	/nfs/dbraw/zinc/48/74/13/776487413.db2.gz	NMBQNXMOIFAWOK-ZYSHUDEJSA-N	1	0	357.498	1.437	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C4CC(C)(C)C4)C[C@H]32)CC1	ZINC001021883862	776487420	/nfs/dbraw/zinc/48/74/20/776487420.db2.gz	NGWGDYAPGQUEOY-PKOBYXMFSA-N	1	0	371.525	1.827	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cnn(C)c2N)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087153606	776610259	/nfs/dbraw/zinc/61/02/59/776610259.db2.gz	DXZKVJHJUVQCDZ-PBHICJAKSA-N	1	0	366.469	1.904	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(CC#N)CC[C@@H]1c1ccc(F)cc1	ZINC001075419901	776770955	/nfs/dbraw/zinc/77/09/55/776770955.db2.gz	CVDLLSNLMVQSEH-BHIYHBOVSA-N	1	0	358.461	1.965	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2CCCC2)C[C@H]1c1ccccc1	ZINC001211514691	776806131	/nfs/dbraw/zinc/80/61/31/776806131.db2.gz	BJOKTAAYEZUAEE-RBUKOAKNSA-N	1	0	353.466	1.510	20	30		FDEDRO
CC1(C)CC[N@H+](CCNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000892711367	790482645	/nfs/dbraw/zinc/48/26/45/790482645.db2.gz	JHHKAAXGVXOMQM-UHFFFAOYSA-N	1	0	370.501	1.953	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCc2nnc3n2CCCCC3)C1	ZINC000328792015	776889701	/nfs/dbraw/zinc/88/97/01/776889701.db2.gz	RFQNXJKGUPBSNT-OAHLLOKOSA-N	1	0	364.494	1.365	20	30		FDEDRO
C=C(C)C[C@H](CO)NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1	ZINC000891407236	776913774	/nfs/dbraw/zinc/91/37/74/776913774.db2.gz	POOWMGMAJHPAOU-GOSISDBHSA-N	1	0	359.470	1.707	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)CCS(=O)(=O)CC(C)C)C[C@H]1C	ZINC001104356304	776987727	/nfs/dbraw/zinc/98/77/27/776987727.db2.gz	ADMHHTQCKQWUPB-IAGOWNOFSA-N	1	0	356.532	1.545	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H]2COC(=O)N2)C1	ZINC001075421237	777067378	/nfs/dbraw/zinc/06/73/78/777067378.db2.gz	UPIZQJJPQPZFFJ-OIISXLGYSA-N	1	0	361.417	1.642	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cn(CC)nc2C)C[C@H]1C	ZINC001104738055	790510290	/nfs/dbraw/zinc/51/02/90/790510290.db2.gz	CYVQNBLZMWBHLL-GDBMZVCRSA-N	1	0	361.490	1.201	20	30		FDEDRO
COc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@]34C[C@H]3COC4)C2)cc1C#N	ZINC000971572764	777712185	/nfs/dbraw/zinc/71/21/85/777712185.db2.gz	NATCRWAHSLHOAM-ZWOKBUDYSA-N	1	0	355.438	1.636	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1	ZINC001075423312	777857254	/nfs/dbraw/zinc/85/72/54/777857254.db2.gz	WEKYVCOOZAXULH-QRQLOZEOSA-N	1	0	371.456	1.649	20	30		FDEDRO
C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCNS(=O)(=O)CC)C2	ZINC001111858871	777859288	/nfs/dbraw/zinc/85/92/88/777859288.db2.gz	CDHFACHYJGKPKG-RDJZCZTQSA-N	1	0	357.520	1.253	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2cnn(C)n2)C1	ZINC001075423370	777862822	/nfs/dbraw/zinc/86/28/22/777862822.db2.gz	ZMRHJMZPFQBBOZ-NVXWUHKLSA-N	1	0	357.433	1.976	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC[C@H](C)C2)C1	ZINC001022099863	777918822	/nfs/dbraw/zinc/91/88/22/777918822.db2.gz	RRYJEHRBCQDWII-AVEIZBFRSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H](F)C[NH+](CC)CC	ZINC001067581561	778053465	/nfs/dbraw/zinc/05/34/65/778053465.db2.gz	NOUHOVLSGQHXPA-ZACQAIPSSA-N	1	0	371.497	1.564	20	30		FDEDRO
CC(C)(C#N)C(=O)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2	ZINC001143398665	778283296	/nfs/dbraw/zinc/28/32/96/778283296.db2.gz	WQVWTALOKLWDIL-UHFFFAOYSA-N	1	0	364.453	1.916	20	30		FDEDRO
C#CCN(C(=O)NC[C@@H]1CC[C@]2(CO[C@H](C)[C@H]2C)O1)C1CC[NH+](C)CC1	ZINC000924051906	778357549	/nfs/dbraw/zinc/35/75/49/778357549.db2.gz	MTLOHAQHSHVRDY-ZTRFORPCSA-N	1	0	363.502	1.698	20	30		FDEDRO
O=C(NCc1cccnc1N1CCOCC1)N1CCC[C@@H]([NH+]2CCCC2)C1	ZINC000328832324	778447290	/nfs/dbraw/zinc/44/72/90/778447290.db2.gz	RNXPPUZIOWBOME-GOSISDBHSA-N	1	0	373.501	1.892	20	30		FDEDRO
C[C@@H]1CCN(C(=O)Cn2ncnn2)[C@H](C[NH2+]Cc2ccc(C#N)s2)C1	ZINC001087167052	778651725	/nfs/dbraw/zinc/65/17/25/778651725.db2.gz	PWKPIGDKRUGBCD-OLZOCXBDSA-N	1	0	359.459	1.023	20	30		FDEDRO
CC(C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1)[NH+](C)C	ZINC000971703002	778736343	/nfs/dbraw/zinc/73/63/43/778736343.db2.gz	TWLUSAYLSURLCW-DJIMGWMZSA-N	1	0	357.458	1.145	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cnc(C)cn2)C[C@H]1c1ccccc1	ZINC001211520838	778780558	/nfs/dbraw/zinc/78/05/58/778780558.db2.gz	UTTDPRPXOVBNKU-AZUAARDMSA-N	1	0	364.449	1.633	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C(=O)NC)cc1	ZINC001111489811	778925947	/nfs/dbraw/zinc/92/59/47/778925947.db2.gz	LOFRSMBJZYRHBJ-PIKADFDJSA-N	1	0	371.481	1.859	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCn2c(Cc3ccccc3Cl)nnc2C1	ZINC000924369335	778963226	/nfs/dbraw/zinc/96/32/26/778963226.db2.gz	LGEFHODAUPVOIS-UHFFFAOYSA-N	1	0	359.861	1.982	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C4CC(C)C4)[C@@H]3C2)CC1	ZINC000971760378	779011491	/nfs/dbraw/zinc/01/14/91/779011491.db2.gz	JMIATXSAEQAXHW-DZQINNCISA-N	1	0	357.498	1.437	20	30		FDEDRO
COc1ccc(CNC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1C#N	ZINC000891702773	779120203	/nfs/dbraw/zinc/12/02/03/779120203.db2.gz	ZFIJSGXANWIXOC-CHWSQXEVSA-N	1	0	356.348	1.845	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)[C@@H](C4CC4)[NH+](C)C)C[C@H]32)nc1	ZINC001022294409	779193274	/nfs/dbraw/zinc/19/32/74/779193274.db2.gz	FRCOQQGADPIWKD-QXAKKESOSA-N	1	0	366.465	1.076	20	30		FDEDRO
N#Cc1ccc(OC2CCC(NC(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)nc1	ZINC000891741392	779232724	/nfs/dbraw/zinc/23/27/24/779232724.db2.gz	ZZWWOZRCXNDIEV-HPZPOOBXSA-N	1	0	355.442	1.789	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4CC4(C)C)[C@@H]3C2)CC1	ZINC000971845648	779939423	/nfs/dbraw/zinc/93/94/23/779939423.db2.gz	TXVZDXDKPNELKT-FGTMMUONSA-N	1	0	357.498	1.437	20	30		FDEDRO
N#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)CC[NH+]4CCCCC4)C[C@H]32)[nH]1	ZINC000971851790	779991495	/nfs/dbraw/zinc/99/14/95/779991495.db2.gz	ZZVRASNPHVRCSF-CRAIPNDOSA-N	1	0	369.469	1.435	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cncc3[nH]ccc32)C[C@H]1C	ZINC001104387375	780220595	/nfs/dbraw/zinc/22/05/95/780220595.db2.gz	VINBJUFQEQRAMG-HUUCEWRRSA-N	1	0	369.469	1.553	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1c1ccccc1	ZINC001211528517	780330768	/nfs/dbraw/zinc/33/07/68/780330768.db2.gz	WBYIGPCWGADELG-RBUKOAKNSA-N	1	0	354.454	1.670	20	30		FDEDRO
COC(=O)C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C(C)(C)C	ZINC000934033266	780651783	/nfs/dbraw/zinc/65/17/83/780651783.db2.gz	YEZMWYBAKRAADN-OAHLLOKOSA-N	1	0	352.456	1.899	20	30		FDEDRO
CCc1nnsc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C1	ZINC001104395680	780975751	/nfs/dbraw/zinc/97/57/51/780975751.db2.gz	YDTPTODALZQQMB-ZIAGYGMSSA-N	1	0	350.488	1.438	20	30		FDEDRO
C[C@@H](CC(N)=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001112508592	781008454	/nfs/dbraw/zinc/00/84/54/781008454.db2.gz	MRWLVBIESJSCMY-XERREHJYSA-N	1	0	368.481	1.788	20	30		FDEDRO
CC(C)(C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC#N)C1	ZINC001211533920	781023501	/nfs/dbraw/zinc/02/35/01/781023501.db2.gz	IVOBPHALFKSHGF-DLBZAZTESA-N	1	0	356.470	1.647	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1)C(F)(F)F	ZINC001112509911	781057214	/nfs/dbraw/zinc/05/72/14/781057214.db2.gz	QEGNWHXKOCBCMP-HUBLWGQQSA-N	1	0	360.380	1.043	20	30		FDEDRO
CCC(CC)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC#N)C1	ZINC001211535395	781247678	/nfs/dbraw/zinc/24/76/78/781247678.db2.gz	CTMSSCUDSQIMES-ZWKOTPCHSA-N	1	0	356.470	1.647	20	30		FDEDRO
C[C@@]1(C#N)CN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CCO1	ZINC000892026006	781259357	/nfs/dbraw/zinc/25/93/57/781259357.db2.gz	XEOXBXQMYOSIJH-MRXNPFEDSA-N	1	0	352.504	1.672	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]32)c1	ZINC001022635660	781700575	/nfs/dbraw/zinc/70/05/75/781700575.db2.gz	YVFDXISQFNQFSL-QXAKKESOSA-N	1	0	368.481	1.322	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4CC4(F)F)[C@@H]3C2)CC1	ZINC000972049796	781804922	/nfs/dbraw/zinc/80/49/22/781804922.db2.gz	KGEBRQJJCVFATR-OWCLPIDISA-N	1	0	365.424	1.046	20	30		FDEDRO
C#CCCN1C[C@H]2OCCN(C(=O)c3cncc(C(F)(F)F)c3)[C@H]2C1	ZINC001083239592	781881584	/nfs/dbraw/zinc/88/15/84/781881584.db2.gz	LGUIEDYGTWEJOB-LSDHHAIUSA-N	1	0	353.344	1.649	20	30		FDEDRO
C[N@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC000972346255	783381339	/nfs/dbraw/zinc/38/13/39/783381339.db2.gz	UQJUZAIDHOKLBJ-HZSPNIEDSA-N	1	0	360.483	1.554	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1Cc3ccccc31)C2	ZINC001112519664	783841876	/nfs/dbraw/zinc/84/18/76/783841876.db2.gz	UEBKSVROOOKSLV-JLMWRMLUSA-N	1	0	367.493	1.847	20	30		FDEDRO
N#Cc1ccccc1C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC001024157630	784029731	/nfs/dbraw/zinc/02/97/31/784029731.db2.gz	DPIMJLZGBXZIAS-ZACQAIPSSA-N	1	0	368.481	1.788	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001024157748	784031675	/nfs/dbraw/zinc/03/16/75/784031675.db2.gz	GZRPLRBVAWKPDV-OTWHNJEPSA-N	1	0	368.481	1.611	20	30		FDEDRO
N#CCOc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1	ZINC001024158521	784039103	/nfs/dbraw/zinc/03/91/03/784039103.db2.gz	UZKXKHDMUIEYCH-NXHRZFHOSA-N	1	0	370.453	1.039	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2nn(C)cc2Cl)C1	ZINC001024165765	784174586	/nfs/dbraw/zinc/17/45/86/784174586.db2.gz	WHVDBYJPKVUGQU-CPUCHLNUSA-N	1	0	366.893	1.993	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCNC(C)=O)C1	ZINC001112520616	784214516	/nfs/dbraw/zinc/21/45/16/784214516.db2.gz	NUPBJLDNZYAHQZ-ICSRJNTNSA-N	1	0	365.518	1.714	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1	ZINC000658571475	784385926	/nfs/dbraw/zinc/38/59/26/784385926.db2.gz	QGJRPJKTYHQURL-QGZVFWFLSA-N	1	0	363.502	1.372	20	30		FDEDRO
CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(=O)NCC#CCO	ZINC000923775689	784722516	/nfs/dbraw/zinc/72/25/16/784722516.db2.gz	BIPYBNBFAFPDAJ-IBGZPJMESA-N	1	0	359.470	1.069	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1OC	ZINC000375808864	784959347	/nfs/dbraw/zinc/95/93/47/784959347.db2.gz	DLUKWIMZYGVVBJ-IAGOWNOFSA-N	1	0	360.454	1.931	20	30		FDEDRO
C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	ZINC001024571604	785295723	/nfs/dbraw/zinc/29/57/23/785295723.db2.gz	HPEHUQWDOMETMB-KURKYZTESA-N	1	0	351.491	1.023	20	30		FDEDRO
C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	ZINC001024571944	785303384	/nfs/dbraw/zinc/30/33/84/785303384.db2.gz	MJUUHFNLMAOYRU-QRVBRYPASA-N	1	0	365.518	1.413	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4cnnn4)c3)[C@H]2C1	ZINC001083271509	785828279	/nfs/dbraw/zinc/82/82/79/785828279.db2.gz	MMZQKFFZMHVWKS-ZWKOTPCHSA-N	1	0	368.441	1.154	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC000978714150	805705405	/nfs/dbraw/zinc/70/54/05/805705405.db2.gz	FORXVDOIELECOE-UEDWAMCQSA-N	1	0	351.450	1.943	20	30		FDEDRO
N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)O1	ZINC000376169409	786591317	/nfs/dbraw/zinc/59/13/17/786591317.db2.gz	ZBOSIFUTMVLEMW-TVFCKZIOSA-N	1	0	370.453	1.231	20	30		FDEDRO
C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21	ZINC000978727251	805715605	/nfs/dbraw/zinc/71/56/05/805715605.db2.gz	HTYIKPSCZYBXLR-FZWVUDROSA-N	1	0	357.429	1.916	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1c1ccccc1	ZINC001211637901	786733415	/nfs/dbraw/zinc/73/34/15/786733415.db2.gz	YJJAVIBJAOFCLO-ZWKOTPCHSA-N	1	0	366.465	1.944	20	30		FDEDRO
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1	ZINC000658870773	786816978	/nfs/dbraw/zinc/81/69/78/786816978.db2.gz	MWWXTMMNXFKMGF-IYBDPMFKSA-N	1	0	357.458	1.798	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1c1ccccc1	ZINC001211639576	787055807	/nfs/dbraw/zinc/05/58/07/787055807.db2.gz	CIUCNTRVFQOODW-DLBZAZTESA-N	1	0	351.406	1.600	20	30		FDEDRO
COCCC[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2C)CC1	ZINC000376278036	787132267	/nfs/dbraw/zinc/13/22/67/787132267.db2.gz	GYUZACQYZOLAKO-UHFFFAOYSA-N	1	0	358.442	1.376	20	30		FDEDRO
Cc1c(C(=O)N(CCC#N)CCC[NH+](C)C)cnn1CC1CCOCC1	ZINC000376329980	787311455	/nfs/dbraw/zinc/31/14/55/787311455.db2.gz	AKCMLAPTCCQGBX-UHFFFAOYSA-N	1	0	361.490	1.926	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1	ZINC001111956439	787338275	/nfs/dbraw/zinc/33/82/75/787338275.db2.gz	OFNVUVNXCDRERY-JQHSSLGASA-N	1	0	369.531	1.395	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H]2CCC(=O)N2C)CC1	ZINC000329985369	787506758	/nfs/dbraw/zinc/50/67/58/787506758.db2.gz	DEYHZXGDQHQGRA-GOSISDBHSA-N	1	0	358.486	1.901	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H]2CCC(=O)N2C)CC1	ZINC000329985371	787508476	/nfs/dbraw/zinc/50/84/76/787508476.db2.gz	DEYHZXGDQHQGRA-SFHVURJKSA-N	1	0	358.486	1.901	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@@H](c3ccc(OC)c(F)c3)[C@@H]([NH3+])C2)nn1	ZINC000658954927	787606861	/nfs/dbraw/zinc/60/68/61/787606861.db2.gz	ZRVJSBCGXKPHOA-ZFWWWQNUSA-N	1	0	359.405	1.569	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1	ZINC001104557727	787832553	/nfs/dbraw/zinc/83/25/53/787832553.db2.gz	TXXINCGILPVMGT-ATZDWAIDSA-N	1	0	368.481	1.611	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2C(=O)CCC2=O)C1	ZINC001104565001	787950749	/nfs/dbraw/zinc/95/07/49/787950749.db2.gz	XGHCOZIFCKKVDG-IXDOHACOSA-N	1	0	363.502	1.812	20	30		FDEDRO
COCC[N@H+](C)CCNC(=O)NCC1CCN(c2ccccc2C#N)CC1	ZINC000376492393	788052122	/nfs/dbraw/zinc/05/21/22/788052122.db2.gz	QGEQNTISNUGQPO-UHFFFAOYSA-N	1	0	373.501	1.652	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)CC1	ZINC000103007419	788070970	/nfs/dbraw/zinc/07/09/70/788070970.db2.gz	CWKLABLWSRPLQE-UHFFFAOYSA-N	1	0	351.410	1.255	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2csnn2)C[C@H]1c1ccccc1	ZINC001211642920	788108583	/nfs/dbraw/zinc/10/85/83/788108583.db2.gz	UROJQKVUHFEAMS-LSDHHAIUSA-N	1	0	371.466	1.038	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1	ZINC001104572689	788170941	/nfs/dbraw/zinc/17/09/41/788170941.db2.gz	NSOSMNBCAAJNDL-ATZDWAIDSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C)C[NH2+]C	ZINC000659111886	788213438	/nfs/dbraw/zinc/21/34/38/788213438.db2.gz	LBCVCLMOKXEQNF-JTQLQIEISA-N	1	0	370.247	1.677	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC2)C[C@H]1c1ccccc1	ZINC001211685962	805886499	/nfs/dbraw/zinc/88/64/99/805886499.db2.gz	NXBWABHDVYJVIW-ZGXWSNOMSA-N	1	0	365.477	1.366	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1	ZINC000973330696	788650331	/nfs/dbraw/zinc/65/03/31/788650331.db2.gz	NVGZLIZUPYDFIM-DZVNLGKHSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3nnn(C)c3C2)C[C@H]1C	ZINC001104590284	788769062	/nfs/dbraw/zinc/76/90/62/788769062.db2.gz	KGZNRMIDCCHZOQ-BRWVUGGUSA-N	1	0	359.518	1.960	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1	ZINC000973364904	788771431	/nfs/dbraw/zinc/77/14/31/788771431.db2.gz	GLPMRZODSAYFSY-MKXGPGLRSA-N	1	0	371.481	1.716	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2Cc3ccccc32)C[C@H]1C	ZINC001104604590	788827665	/nfs/dbraw/zinc/82/76/65/788827665.db2.gz	ANVOCJMQNVBSDI-SUMDDJOVSA-N	1	0	353.466	1.150	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)Nc2nncs2)C1	ZINC001104607257	788848429	/nfs/dbraw/zinc/84/84/29/788848429.db2.gz	OAMDXUBHJNFQPT-ZIAGYGMSSA-N	1	0	365.503	1.907	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C2(NC(C)=O)CCCC2)C[C@H]1c1ccccc1	ZINC001211687900	805914213	/nfs/dbraw/zinc/91/42/13/805914213.db2.gz	FTFVGDHPLMVFSG-RBUKOAKNSA-N	1	0	353.466	1.653	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NC)C1	ZINC001104631707	789059804	/nfs/dbraw/zinc/05/98/04/789059804.db2.gz	XONSSPSPKGFPGC-HBUWYVDXSA-N	1	0	352.479	1.119	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC(C)C)OC)C[C@H]1C	ZINC001104640579	789112447	/nfs/dbraw/zinc/11/24/47/789112447.db2.gz	JIFFOEJPMKOCPI-BRWVUGGUSA-N	1	0	353.507	1.424	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCn3cccn3)C2)c1	ZINC001104659657	789181684	/nfs/dbraw/zinc/18/16/84/789181684.db2.gz	RSFXDKZDKRCVGC-SJLPKXTDSA-N	1	0	351.454	1.647	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)C(F)F)C[C@H]1C	ZINC001104660263	789211231	/nfs/dbraw/zinc/21/12/31/789211231.db2.gz	RWWVAMLJDPQHDA-MGPQQGTHSA-N	1	0	357.445	1.490	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC(F)(F)C2)C[C@H]1C	ZINC001104669370	789276464	/nfs/dbraw/zinc/27/64/64/789276464.db2.gz	NKTYQCFDTMVOEN-BZUAXINKSA-N	1	0	369.456	1.636	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1C	ZINC001104689397	789425897	/nfs/dbraw/zinc/42/58/97/789425897.db2.gz	QRTGQDJVVQFMLJ-ZIAGYGMSSA-N	1	0	357.445	1.798	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2noc3c2CCCC3)C[C@H]1C	ZINC001104717870	789709223	/nfs/dbraw/zinc/70/92/23/789709223.db2.gz	YEOTWNQJMIQBIE-HZPDHXFCSA-N	1	0	359.470	1.891	20	30		FDEDRO
CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000422981416	814928118	/nfs/dbraw/zinc/92/81/18/814928118.db2.gz	SQJUFJHFSYHWNA-QILLFSRXSA-N	1	0	360.433	1.549	20	30		FDEDRO
C=CCOc1cccc(NC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1	ZINC000415016619	791205568	/nfs/dbraw/zinc/20/55/68/791205568.db2.gz	QBTPFMGJDZHYML-MRXNPFEDSA-N	1	0	372.469	1.927	20	30		FDEDRO
C=CCOc1ccc(CNC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1	ZINC000377197928	791232879	/nfs/dbraw/zinc/23/28/79/791232879.db2.gz	PRIIBBMYUCDHON-RBUKOAKNSA-N	1	0	359.470	1.992	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@]2(c3cnn(C)c3)CCCO2)CC1	ZINC000892851710	791454163	/nfs/dbraw/zinc/45/41/63/791454163.db2.gz	OMTRHRABZNVSTP-IBGZPJMESA-N	1	0	361.490	1.766	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCOC[C@H]2C[C@@H]2CCOC2)CC1	ZINC000892851532	791454229	/nfs/dbraw/zinc/45/42/29/791454229.db2.gz	LISXVFAZUCADSY-FUHWJXTLSA-N	1	0	351.491	1.864	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)CC1	ZINC000892851890	791456562	/nfs/dbraw/zinc/45/65/62/791456562.db2.gz	RAXLOIIEXWMLEM-OAHLLOKOSA-N	1	0	360.462	1.101	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CC23CCN(c2ncc(C#N)cc2F)CC3)CC[N@@H+]1C	ZINC001058655705	791699500	/nfs/dbraw/zinc/69/95/00/791699500.db2.gz	HSWNZXOCEIFVLY-UNEWFSDZSA-N	1	0	371.460	1.908	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CC23CCN(c2ccnc(C#N)n2)CC3)CC[N@@H+]1C	ZINC001058655922	791709191	/nfs/dbraw/zinc/70/91/91/791709191.db2.gz	OOBLQLGFZUKZSN-KFWWJZLASA-N	1	0	354.458	1.164	20	30		FDEDRO
C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1	ZINC000415282500	791828549	/nfs/dbraw/zinc/82/85/49/791828549.db2.gz	MOLSTLMIETWXFR-GFCCVEGCSA-N	1	0	366.368	1.556	20	30		FDEDRO
C=CCN(C(=O)C(=O)Nc1cc(C)on1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000377571810	792230550	/nfs/dbraw/zinc/23/05/50/792230550.db2.gz	FGSVFGAKMFHUFM-QGZVFWFLSA-N	1	0	368.437	2.211	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@H](C[NH3+])C2CCCC2)n1	ZINC000415438363	792258318	/nfs/dbraw/zinc/25/83/18/792258318.db2.gz	LWGWRZHLYSMEJU-OAHLLOKOSA-N	1	0	356.405	2.522	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@H]2C[NH2+]CCC2(F)F)n1	ZINC000415435477	792265269	/nfs/dbraw/zinc/26/52/69/792265269.db2.gz	IUTFIQKKVNCVKD-ZDUSSCGKSA-N	1	0	364.331	2.002	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC[C@H]1[NH3+]	ZINC000415462211	792309605	/nfs/dbraw/zinc/30/96/05/792309605.db2.gz	OSYIWAKTWPQMKX-HNAYVOBHSA-N	1	0	362.433	1.616	20	30		FDEDRO
C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	ZINC000415498339	792375499	/nfs/dbraw/zinc/37/54/99/792375499.db2.gz	PWSPRMJTIUQQOD-AWEZNQCLSA-N	1	0	369.450	1.831	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2CCO[C@@H]3C[N@@H+](C[C@H](C)O)C[C@@H]32)cc1	ZINC001083286566	792400908	/nfs/dbraw/zinc/40/09/08/792400908.db2.gz	QYUSRYOITZQISU-ZYSHUDEJSA-N	1	0	360.454	1.086	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CCN(c3ncccc3C#N)CC2)C1	ZINC000377648586	792411048	/nfs/dbraw/zinc/41/10/48/792411048.db2.gz	VDOAANKNRCWIPA-IBGZPJMESA-N	1	0	359.449	1.814	20	30		FDEDRO
N#Cc1cc(Oc2ccc(NC(=O)C(=O)NC[C@H]([NH3+])C3CC3)cc2)ccn1	ZINC000415539540	792473468	/nfs/dbraw/zinc/47/34/68/792473468.db2.gz	MMMPMNWNCXJNIX-KRWDZBQOSA-N	1	0	365.393	1.538	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](F)C(C)C)C[C@H]1c1ccccc1	ZINC001211650442	792507772	/nfs/dbraw/zinc/50/77/72/792507772.db2.gz	IHMDUKFUCMXCNU-YQVWRLOYSA-N	1	0	361.461	1.867	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1	ZINC000415625170	792719289	/nfs/dbraw/zinc/71/92/89/792719289.db2.gz	OYTUXBLZXPCIJX-IUODEOHRSA-N	1	0	359.430	1.047	20	30		FDEDRO
O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2	ZINC000415641075	792750099	/nfs/dbraw/zinc/75/00/99/792750099.db2.gz	FRFPTPASSHKSGR-BGYRXZFFSA-N	1	0	374.444	1.773	20	30		FDEDRO
N#Cc1cc(Oc2ccc(NC(=O)N3CCO[C@@H](C[NH3+])C3)cc2)ccn1	ZINC000415733881	792894918	/nfs/dbraw/zinc/89/49/18/792894918.db2.gz	JMHOVSCIHNGGIW-KRWDZBQOSA-N	1	0	353.382	1.937	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1	ZINC000415738027	792902437	/nfs/dbraw/zinc/90/24/37/792902437.db2.gz	DFZMOUMPEQQINZ-QLFBSQMISA-N	1	0	372.494	1.945	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1	ZINC000415760143	792932388	/nfs/dbraw/zinc/93/23/88/792932388.db2.gz	JYCATRQAGZFUQR-HNNXBMFYSA-N	1	0	356.426	1.353	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1	ZINC000377895623	792999896	/nfs/dbraw/zinc/99/98/96/792999896.db2.gz	JKSQZRGNVMSNDU-MSOLQXFVSA-N	1	0	358.442	1.178	20	30		FDEDRO
N#CC1(COC(=O)C[C@H]2CCNC2=O)CC[NH+](Cc2ccccc2)CC1	ZINC000893115354	793051979	/nfs/dbraw/zinc/05/19/79/793051979.db2.gz	LKMCIIVRDVSOCM-QGZVFWFLSA-N	1	0	355.438	1.862	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1	ZINC000415823772	793082560	/nfs/dbraw/zinc/08/25/60/793082560.db2.gz	UDEYDBNYVRSZSR-JKSUJKDBSA-N	1	0	371.485	1.901	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)C34CCC[NH+]3CCC4)CC2=O)cc1	ZINC000377934074	793118366	/nfs/dbraw/zinc/11/83/66/793118366.db2.gz	URKRCSWTMSXQME-UHFFFAOYSA-N	1	0	352.438	1.357	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(C)n4C)[C@@H]3C2)C1=O	ZINC001075541545	793269859	/nfs/dbraw/zinc/26/98/59/793269859.db2.gz	KKAHWRFIMTVJON-RYQLBKOJSA-N	1	0	356.470	1.267	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN([C@H](C)c3nnc(CC)[nH]3)C[C@H]21	ZINC001026101714	793301978	/nfs/dbraw/zinc/30/19/78/793301978.db2.gz	AYWRWHMZEJUSQY-GTLGIVGDSA-N	1	0	359.474	1.456	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC2)cc1	ZINC000415994174	793469911	/nfs/dbraw/zinc/46/99/11/793469911.db2.gz	KURLOWFLKSIVJD-HNNXBMFYSA-N	1	0	369.391	1.665	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCC)C1	ZINC001104757291	793474350	/nfs/dbraw/zinc/47/43/50/793474350.db2.gz	DRQMEYTXZDNICO-NXHRZFHOSA-N	1	0	353.507	1.568	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnon2)C1	ZINC001104757721	793476211	/nfs/dbraw/zinc/47/62/11/793476211.db2.gz	JGYRAWSWHKZDSR-FRFSOERESA-N	1	0	363.462	1.115	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2cscn2)C[C@H]1C	ZINC001104761044	793531316	/nfs/dbraw/zinc/53/13/16/793531316.db2.gz	RIFBQNBNNJANAG-RBSFLKMASA-N	1	0	364.515	1.451	20	30		FDEDRO
Cn1nnc2c1C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)CC2	ZINC000290605489	793542623	/nfs/dbraw/zinc/54/26/23/793542623.db2.gz	BADDVMFYGXJGCF-QGZVFWFLSA-N	1	0	366.469	1.382	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnc(C)nc3)C2)nn1	ZINC001104769069	793553721	/nfs/dbraw/zinc/55/37/21/793553721.db2.gz	BJVDBZDXGDEJAL-RHSMWYFYSA-N	1	0	369.473	1.451	20	30		FDEDRO
C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C[C@H]1C	ZINC001104782389	793631226	/nfs/dbraw/zinc/63/12/26/793631226.db2.gz	YLFJRIWMUXEJGC-PHXBYCTMSA-N	1	0	368.481	1.308	20	30		FDEDRO
N#CCSCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC[C@H]2CCCO2)C1	ZINC001112053050	793860159	/nfs/dbraw/zinc/86/01/59/793860159.db2.gz	PIJSIWRJVBYXPB-JHJVBQTASA-N	1	0	365.421	1.791	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CCCC(=O)NC[C@H]1CCCC[N@H+]1CCO	ZINC000452396228	793934861	/nfs/dbraw/zinc/93/48/61/793934861.db2.gz	YCSMSXHBBBMGFP-QGZVFWFLSA-N	1	0	372.469	1.630	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ncccc2F)C[C@H]1C	ZINC001104835870	793984360	/nfs/dbraw/zinc/98/43/60/793984360.db2.gz	HEHHTYXFVHZOOK-RBSFLKMASA-N	1	0	360.433	1.046	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnc3c(cnn3C)c2)C[C@H]1C	ZINC001104839521	793999620	/nfs/dbraw/zinc/99/96/20/793999620.db2.gz	DKKLIXVPKXCNLP-HZPDHXFCSA-N	1	0	369.469	1.306	20	30		FDEDRO
CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C2)CCOCC1	ZINC001104848599	794052059	/nfs/dbraw/zinc/05/20/59/794052059.db2.gz	OQAKMWMEVPEKMF-QZTJIDSGSA-N	1	0	350.503	1.917	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)c2cccc(-n3cncn3)n2)C[C@H]1C	ZINC001104853474	794079918	/nfs/dbraw/zinc/07/99/18/794079918.db2.gz	FKALFBYCYDVHDV-HZPDHXFCSA-N	1	0	354.458	1.926	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2(F)CCCCC2)C[C@H]1C	ZINC001104870577	794150038	/nfs/dbraw/zinc/15/00/38/794150038.db2.gz	JHMYQAXAUHBINY-HZPDHXFCSA-N	1	0	351.466	1.482	20	30		FDEDRO
N#C[C@]1(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CCc2ccccc2C1	ZINC000378454196	794170785	/nfs/dbraw/zinc/17/07/85/794170785.db2.gz	XXSNEYISBUXBAF-UWJYYQICSA-N	1	0	353.466	1.866	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1	ZINC000378457649	794174635	/nfs/dbraw/zinc/17/46/35/794174635.db2.gz	WFUHLMZXSGOUHI-XJKSGUPXSA-N	1	0	359.401	1.329	20	30		FDEDRO
Cc1nc(SCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)n[nH]1	ZINC000378491517	794213506	/nfs/dbraw/zinc/21/35/06/794213506.db2.gz	GZDOKTFDNHRQJM-UHFFFAOYSA-N	1	0	370.482	1.880	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)CS(=O)(=O)CCCCC)C[C@H]1C	ZINC001104896514	794278951	/nfs/dbraw/zinc/27/89/51/794278951.db2.gz	CHKSHKUCRKQOAY-IAGOWNOFSA-N	1	0	356.532	1.689	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)CS(=O)(=O)CCCCC)C[C@H]1C	ZINC001104896761	794280447	/nfs/dbraw/zinc/28/04/47/794280447.db2.gz	NOEGVAGUTVSPMF-IAGOWNOFSA-N	1	0	356.532	1.689	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)C[C@H](C)N2CCCC2=O)C[C@H]1C	ZINC001104901960	794308782	/nfs/dbraw/zinc/30/87/82/794308782.db2.gz	BATQQGFMKFBBCW-FGTMMUONSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CC[N@@H+](CCC)C2)c1	ZINC000660029251	794369591	/nfs/dbraw/zinc/36/95/91/794369591.db2.gz	XUUOBCPCRWVJMN-HNNXBMFYSA-N	1	0	351.472	1.365	20	30		FDEDRO
CC1(C#N)CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCCCC3)c2)CC1	ZINC000378594562	794381865	/nfs/dbraw/zinc/38/18/65/794381865.db2.gz	GBZHKAINCVPCSF-UHFFFAOYSA-N	1	0	372.473	1.460	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnn(CC)n3)C2)nc1	ZINC001104925015	794423627	/nfs/dbraw/zinc/42/36/27/794423627.db2.gz	XHODZABDGJZSIA-NVXWUHKLSA-N	1	0	366.469	1.562	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC3CC3)C2)nc1	ZINC001104924983	794423878	/nfs/dbraw/zinc/42/38/78/794423878.db2.gz	WBAILSAQZCJAQY-BFYDXBDKSA-N	1	0	368.481	1.418	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](C)c3nncn3C)C2)cn1	ZINC001104927320	794428872	/nfs/dbraw/zinc/42/88/72/794428872.db2.gz	CHKBHFWWXQIUIC-HLLBOEOZSA-N	1	0	366.469	1.640	20	30		FDEDRO
CC[C@H](C(=O)OC)N1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1	ZINC000511568713	794433557	/nfs/dbraw/zinc/43/35/57/794433557.db2.gz	XMMAOXZDGWVHAD-QGZVFWFLSA-N	1	0	358.442	1.456	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCn3cncn3)C2)cn1	ZINC001104927883	794436348	/nfs/dbraw/zinc/43/63/48/794436348.db2.gz	ZAUVSUKDCXTZEE-NVXWUHKLSA-N	1	0	352.442	1.042	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CCCCC(=O)N2)C[C@H]1C	ZINC001104954923	794554403	/nfs/dbraw/zinc/55/44/03/794554403.db2.gz	ZMHMFUBRNAFPRY-KZNAEPCWSA-N	1	0	363.502	1.159	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCc2cnn(C)c2)C1	ZINC001112068694	794699599	/nfs/dbraw/zinc/69/95/99/794699599.db2.gz	MBLFMKNYYWJPKH-ZIAGYGMSSA-N	1	0	360.380	1.144	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)CC1	ZINC000974192606	794717434	/nfs/dbraw/zinc/71/74/34/794717434.db2.gz	ZLAPRWZMABHJAE-LWASTNQWSA-N	1	0	369.509	1.697	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CCC(=O)N2CCOCC2)C[C@H]1C	ZINC001104979051	794720580	/nfs/dbraw/zinc/72/05/80/794720580.db2.gz	KVCZNARYTIJNCD-GDBMZVCRSA-N	1	0	371.909	1.452	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](CN(C)c3ccc(C#N)nn3)C2)CC[N@@H+]1C	ZINC001058708096	794739775	/nfs/dbraw/zinc/73/97/75/794739775.db2.gz	BKWXCUZTUHVYSN-RYQLBKOJSA-N	1	0	370.501	1.753	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)C[C@H]1C	ZINC001104990214	794741262	/nfs/dbraw/zinc/74/12/62/794741262.db2.gz	MIHHBVPIROFASM-KFWWJZLASA-N	1	0	350.463	1.015	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3nccnc3c2)C[C@H]1C	ZINC001104987554	794744919	/nfs/dbraw/zinc/74/49/19/794744919.db2.gz	VOALFGYVKDURTI-SJLPKXTDSA-N	1	0	366.465	1.967	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](CN(C)c3cnc(C#N)cn3)C2)CC[N@@H+]1C	ZINC001058708490	794759557	/nfs/dbraw/zinc/75/95/57/794759557.db2.gz	NGJCBPBXIMIMDY-RYQLBKOJSA-N	1	0	370.501	1.753	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)CCNC(=O)c2cccs2)C[C@H]1C	ZINC001105001271	794839995	/nfs/dbraw/zinc/83/99/95/794839995.db2.gz	HNVSYKDQNKYMDX-HZPDHXFCSA-N	1	0	361.511	1.966	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCOc2ccccc2)C[C@H]1C	ZINC001105005353	794844423	/nfs/dbraw/zinc/84/44/23/794844423.db2.gz	PTMFVDBBMWPWFN-QZTJIDSGSA-N	1	0	371.481	1.279	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)c2cc(C)oc2C)C[C@H]1C	ZINC001105031781	794988431	/nfs/dbraw/zinc/98/84/31/794988431.db2.gz	GKOXKAAOBBKQKO-RHSMWYFYSA-N	1	0	359.470	1.724	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2noc3c2COCC3)C[C@H]1C	ZINC001105037305	795018776	/nfs/dbraw/zinc/01/87/76/795018776.db2.gz	QCBJGXJDHVISSG-HUUCEWRRSA-N	1	0	361.442	1.085	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)Cc2ccccc2)C[C@H]1C	ZINC001105044524	795049025	/nfs/dbraw/zinc/04/90/25/795049025.db2.gz	PFYKRWQNLHSRSG-QWFCFKBJSA-N	1	0	369.509	1.689	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1CC[NH2+]Cc1cnn(C)n1	ZINC001105045103	795052736	/nfs/dbraw/zinc/05/27/36/795052736.db2.gz	NSSAKCFJSYJLHF-IEBWSBKVSA-N	1	0	365.481	1.831	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=C)C)C1	ZINC001105064230	795109379	/nfs/dbraw/zinc/10/93/79/795109379.db2.gz	DMMHIFPQFOXJRE-HZPDHXFCSA-N	1	0	350.507	1.901	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2CC(C(C)(C)C)C2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001105085353	795201732	/nfs/dbraw/zinc/20/17/32/795201732.db2.gz	MBMVXHSGRQVCID-NUWOQIAWSA-N	1	0	362.518	1.773	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NCCC)C1	ZINC001105090351	795235012	/nfs/dbraw/zinc/23/50/12/795235012.db2.gz	SACVPLYDVIXENI-IXDOHACOSA-N	1	0	353.507	1.568	20	30		FDEDRO
CN(C(=O)C(=O)Nc1ccc(C#N)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000364142395	795273460	/nfs/dbraw/zinc/27/34/60/795273460.db2.gz	KYLSUKXLDXGXBK-GOSISDBHSA-N	1	0	369.469	1.124	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)C[C@H]1C	ZINC001105111327	795321869	/nfs/dbraw/zinc/32/18/69/795321869.db2.gz	UEIVLMFDGXYSRD-KBAYOESNSA-N	1	0	367.534	1.814	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCCO2)C[C@H]1C	ZINC001105111638	795323767	/nfs/dbraw/zinc/32/37/67/795323767.db2.gz	JBJGCRGIVVABIE-BRWVUGGUSA-N	1	0	351.491	1.322	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3cncn3C)C2)cc1	ZINC000974349389	795324722	/nfs/dbraw/zinc/32/47/22/795324722.db2.gz	CIESHKRXVBBVJV-XMTFNYHQSA-N	1	0	362.433	1.582	20	30		FDEDRO
N#CCC[C@@H](NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1	ZINC000417918197	795422220	/nfs/dbraw/zinc/42/22/20/795422220.db2.gz	OSXBOZQUQJGTEO-IAGOWNOFSA-N	1	0	357.458	1.528	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])C2=O)cc1	ZINC000418012593	795461415	/nfs/dbraw/zinc/46/14/15/795461415.db2.gz	SIGZRNRKQCYREG-NXHRZFHOSA-N	1	0	369.469	1.870	20	30		FDEDRO
COc1ccc(C[NH2+]C2CCC(NC(=O)[C@H]3C[C@H]3C(N)=O)CC2)cc1C#N	ZINC001026561719	795548358	/nfs/dbraw/zinc/54/83/58/795548358.db2.gz	SQKGMEHYQDEZSF-BACDZXNISA-N	1	0	370.453	1.205	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC([NH2+]Cc2cn(C(C)C)nn2)CC1	ZINC001026563825	795558116	/nfs/dbraw/zinc/55/81/16/795558116.db2.gz	ISOUNWPHBDLUTP-UQVLAFNGSA-N	1	0	361.490	1.967	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CCC([NH2+]Cc2nncn2C)CC1	ZINC001026574097	795577505	/nfs/dbraw/zinc/57/75/05/795577505.db2.gz	HOFJWSLMKDCCNI-OBQMCRIKSA-N	1	0	361.490	1.703	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)OC)C1	ZINC000296784873	795588355	/nfs/dbraw/zinc/58/83/55/795588355.db2.gz	SHMFYJRPEMMSSE-JCGIZDLHSA-N	1	0	373.453	1.589	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1	ZINC001026616256	795651126	/nfs/dbraw/zinc/65/11/26/795651126.db2.gz	HWQFAJFOAUCFSS-LZQZEXGQSA-N	1	0	357.498	1.770	20	30		FDEDRO
C[NH2+]CCCNC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N	ZINC000418288134	795692376	/nfs/dbraw/zinc/69/23/76/795692376.db2.gz	VMZUNYGXABVHHU-UHFFFAOYSA-N	1	0	369.473	1.476	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCCN1CC[NH2+]CC1	ZINC000418298021	795730992	/nfs/dbraw/zinc/73/09/92/795730992.db2.gz	LRDWJVSLVIGRQN-MOPGFXCFSA-N	1	0	355.486	1.763	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cc1	ZINC000364337393	795753109	/nfs/dbraw/zinc/75/31/09/795753109.db2.gz	NAGFODISOXGNND-NVXWUHKLSA-N	1	0	371.397	1.740	20	30		FDEDRO
O=C([C@@H]1CC1(F)F)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCC(F)F)C1	ZINC001112096668	795861333	/nfs/dbraw/zinc/86/13/33/795861333.db2.gz	ZJZJCEDTXMZBIG-DJLDLDEBSA-N	1	0	366.277	1.902	20	30		FDEDRO
CC(C)[C@H]([NH3+])CNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000418406569	795875337	/nfs/dbraw/zinc/87/53/37/795875337.db2.gz	LZKDTMBLJUXVOP-CYBMUJFWSA-N	1	0	372.429	1.621	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCCC2CC2)C[C@H]1c1ccccc1	ZINC001211657547	795889324	/nfs/dbraw/zinc/88/93/24/795889324.db2.gz	HUFVIFPLYCWBHA-VQTJNVASSA-N	1	0	367.493	1.900	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCC2CC2)C1	ZINC001112101156	796039774	/nfs/dbraw/zinc/03/97/74/796039774.db2.gz	ZXJAYAOCPYECRL-NWANDNLSSA-N	1	0	362.392	1.430	20	30		FDEDRO
CC1(CNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC[NH2+]CC1	ZINC000418530759	796100892	/nfs/dbraw/zinc/10/08/92/796100892.db2.gz	VODBAUCSPKIHFP-GOSISDBHSA-N	1	0	355.486	1.796	20	30		FDEDRO
CC1(CNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC[NH2+]CC1	ZINC000418530763	796101217	/nfs/dbraw/zinc/10/12/17/796101217.db2.gz	VODBAUCSPKIHFP-SFHVURJKSA-N	1	0	355.486	1.796	20	30		FDEDRO
C=CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3cccnc3)C2)nn1	ZINC001105331975	796182422	/nfs/dbraw/zinc/18/24/22/796182422.db2.gz	UIBHLYUPVSKQMW-ZWKOTPCHSA-N	1	0	352.442	1.526	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)c1	ZINC000979883927	806585715	/nfs/dbraw/zinc/58/57/15/806585715.db2.gz	JOALXLIQXIZTRZ-DSLXNQLJSA-N	1	0	368.481	1.418	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCN(C(=O)c3ccccc3OC)CC2)CCC[NH2+]1	ZINC000662472241	806698224	/nfs/dbraw/zinc/69/82/24/806698224.db2.gz	KXUIXLPPINWHQP-HXUWFJFHSA-N	1	0	357.454	1.678	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC[N@@H+]1C	ZINC000980112220	806768013	/nfs/dbraw/zinc/76/80/13/806768013.db2.gz	FAYYRUSSQVDBTK-TWRYWWQQSA-N	1	0	357.458	1.384	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnc(C)n2CC)C1	ZINC001026850450	799992491	/nfs/dbraw/zinc/99/24/91/799992491.db2.gz	VVUZDTMRQHFXEB-BBWFWOEESA-N	1	0	361.490	1.526	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]3C2)nc1	ZINC000974686342	800069883	/nfs/dbraw/zinc/06/98/83/800069883.db2.gz	ARPOIXNTLRYWLD-BHIYHBOVSA-N	1	0	368.481	1.322	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C(C)(C)C=C)[C@@H]3C2)CC1	ZINC000974726654	800198307	/nfs/dbraw/zinc/19/83/07/800198307.db2.gz	BGJVLODRLNASOG-QZTJIDSGSA-N	1	0	357.498	1.603	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]21	ZINC000974730325	800207465	/nfs/dbraw/zinc/20/74/65/800207465.db2.gz	RSXJSNUTFMWZAK-GVDBMIGSSA-N	1	0	363.502	1.226	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C(C)(C)C1	ZINC000974879057	800472827	/nfs/dbraw/zinc/47/28/27/800472827.db2.gz	NCRBVBRCQQYMBG-FGTMMUONSA-N	1	0	365.518	1.269	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@H]21	ZINC000974971509	800621698	/nfs/dbraw/zinc/62/16/98/800621698.db2.gz	VXKVPRNREMPZJZ-GZBFAFLISA-N	1	0	360.483	1.642	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)C[C@H]21	ZINC000974977258	800630425	/nfs/dbraw/zinc/63/04/25/800630425.db2.gz	LJDWFLDBVOCPTB-CKEIUWERSA-N	1	0	364.409	1.100	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CO)[C@@H]2CCC[C@H](OC)C2)CC1	ZINC000660598015	800693099	/nfs/dbraw/zinc/69/30/99/800693099.db2.gz	VYMYHVDYHBTJDK-BPQIPLTHSA-N	1	0	353.507	1.892	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C(C)(C)C1	ZINC000975030873	800785967	/nfs/dbraw/zinc/78/59/67/800785967.db2.gz	MWGVXVWSSAZEFV-BBWFWOEESA-N	1	0	363.502	1.559	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3CCN(C(=O)C[C@@H]4CC[N@@H+](C)C4)C[C@H]32)c1	ZINC000975074361	800866567	/nfs/dbraw/zinc/86/65/67/800866567.db2.gz	SLAAYLBWQLUONC-YQVWRLOYSA-N	1	0	366.465	1.078	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cc(OC)ns2)C1	ZINC001027075688	800890157	/nfs/dbraw/zinc/89/01/57/800890157.db2.gz	YOBGNMZSOGAZLQ-YUELXQCFSA-N	1	0	351.472	1.681	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cc(CO)ccc2F)C1	ZINC001027076812	800892388	/nfs/dbraw/zinc/89/23/88/800892388.db2.gz	VHOMSHKOLKAXIJ-WDYCEAGBSA-N	1	0	362.445	1.847	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21	ZINC000975261913	801046206	/nfs/dbraw/zinc/04/62/06/801046206.db2.gz	RDRGZIUEDHPVCD-VQHPVUNQSA-N	1	0	361.486	1.121	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000975332216	801186915	/nfs/dbraw/zinc/18/69/15/801186915.db2.gz	MYKUDQDMMFVYHF-LSTHTHJFSA-N	1	0	371.525	1.733	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3C[C@H]3CC)C2)CC1	ZINC000975568411	801533138	/nfs/dbraw/zinc/53/31/38/801533138.db2.gz	XUUHTIIWXQNGSJ-ZHALLVOQSA-N	1	0	359.514	1.733	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(C(=O)c3ccc(C#N)c(Cl)n3)CC2)c1	ZINC001125991845	801572895	/nfs/dbraw/zinc/57/28/95/801572895.db2.gz	YETUSQWGBAIJAB-UHFFFAOYSA-N	1	0	357.801	1.973	20	30		FDEDRO
CC[C@H](C(=O)N1CC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21)[NH+](C)C	ZINC000975638136	801808181	/nfs/dbraw/zinc/80/81/81/801808181.db2.gz	CWYWMMLSCMGBJQ-UAGQMJEPSA-N	1	0	357.458	1.290	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)CCC[NH2+]1	ZINC000662672160	806944806	/nfs/dbraw/zinc/94/48/06/806944806.db2.gz	WYWCQCLUBYYCQP-HXUWFJFHSA-N	1	0	356.470	1.468	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)CCC[NH2+]1	ZINC000662672159	806944907	/nfs/dbraw/zinc/94/49/07/806944907.db2.gz	WYWCQCLUBYYCQP-FQEVSTJZSA-N	1	0	356.470	1.468	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1CC[C@H]2CCN(C(=O)C#CC3CC3)[C@H]2C1)[NH+]1CCCC1	ZINC000975753595	802205794	/nfs/dbraw/zinc/20/57/94/802205794.db2.gz	PYTJKTUCWLKAQY-ZJOUEHCJSA-N	1	0	371.525	1.970	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)/C=C/C4CC4)[C@H]3C2)CC1	ZINC000975754221	802207554	/nfs/dbraw/zinc/20/75/54/802207554.db2.gz	GDTRIWMHIJLCPO-HOHWPDKRSA-N	1	0	369.509	1.747	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]21	ZINC000975755467	802270731	/nfs/dbraw/zinc/27/07/31/802270731.db2.gz	ZHZGYCHYEGIJEZ-BXWFABGCSA-N	1	0	368.481	1.971	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)C#CC3CC3)[C@H]2C1	ZINC000975756478	802274269	/nfs/dbraw/zinc/27/42/69/802274269.db2.gz	RYBABYGQQQEDLV-FHWLQOOXSA-N	1	0	357.498	1.724	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000661119756	802748757	/nfs/dbraw/zinc/74/87/57/802748757.db2.gz	XMECVANPVKMCIO-CJNGLKHVSA-N	1	0	351.472	1.997	20	30		FDEDRO
C=CC[C@]1(C(=O)NC[C@@H](c2cccs2)N2CCN(C)CC2)CCC[NH2+]1	ZINC000662754716	803063424	/nfs/dbraw/zinc/06/34/24/803063424.db2.gz	UOGBMNYIGOVILM-QFBILLFUSA-N	1	0	362.543	1.851	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2cccn2C)CC1	ZINC000976281031	803157115	/nfs/dbraw/zinc/15/71/15/803157115.db2.gz	YVQCTEMBHFRHTG-QZTJIDSGSA-N	1	0	370.497	1.528	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1	ZINC000661311402	803238742	/nfs/dbraw/zinc/23/87/42/803238742.db2.gz	JIGGCWCHYPGAGE-GOSISDBHSA-N	1	0	364.534	1.781	20	30		FDEDRO
C=CCn1cc(CNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)nn1	ZINC000661337991	803294147	/nfs/dbraw/zinc/29/41/47/803294147.db2.gz	AVFPHPJGNNRKMC-UHFFFAOYSA-N	1	0	362.478	1.154	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C	ZINC000976405552	803324054	/nfs/dbraw/zinc/32/40/54/803324054.db2.gz	JOINHBWPDYLQMD-ZACQAIPSSA-N	1	0	358.486	1.926	20	30		FDEDRO
C#Cc1ccc(C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)cn1	ZINC000728820465	803387201	/nfs/dbraw/zinc/38/72/01/803387201.db2.gz	QIKXDHNTMGVXDI-UHFFFAOYSA-N	1	0	350.378	1.785	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CC2=CCOCC2)C[C@H]1c1ccccc1	ZINC001211667053	803393173	/nfs/dbraw/zinc/39/31/73/803393173.db2.gz	TWFRPRWYJAFDFQ-LEWJYISDSA-N	1	0	368.477	1.957	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccn(C)c2)CC1	ZINC000976511293	803484629	/nfs/dbraw/zinc/48/46/29/803484629.db2.gz	RKRAIPXYEWDSEC-RTBURBONSA-N	1	0	370.497	1.528	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC000976692669	803722451	/nfs/dbraw/zinc/72/24/51/803722451.db2.gz	QYYHULSJAHGMST-BRWVUGGUSA-N	1	0	358.486	1.783	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1	ZINC000976699215	803774576	/nfs/dbraw/zinc/77/45/76/803774576.db2.gz	ODAYGSMAAFCUNT-TVFCKZIOSA-N	1	0	363.502	1.607	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1	ZINC000423133723	814978555	/nfs/dbraw/zinc/97/85/55/814978555.db2.gz	WBFCQDACWQYZGO-HXUWFJFHSA-N	1	0	354.454	1.509	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2	ZINC000976844271	803967344	/nfs/dbraw/zinc/96/73/44/803967344.db2.gz	WOAUOQUHFOIOTM-IAGOWNOFSA-N	1	0	370.497	1.927	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2c[nH+]cc2c1	ZINC000976894042	804017357	/nfs/dbraw/zinc/01/73/57/804017357.db2.gz	WKYLATHVGDGGRE-ZBRFXRBCSA-N	1	0	366.421	1.112	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1	ZINC000423166050	814985697	/nfs/dbraw/zinc/98/56/97/814985697.db2.gz	BZRMSRXQGASWHP-UHFFFAOYSA-N	1	0	371.481	1.812	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@H](C[NH2+]C)C1	ZINC000423188495	814994881	/nfs/dbraw/zinc/99/48/81/814994881.db2.gz	NSNRXMIJEAJXQI-GOSISDBHSA-N	1	0	354.454	1.531	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1	ZINC000423219043	815007577	/nfs/dbraw/zinc/00/75/77/815007577.db2.gz	VQUWKVMOFYFOMF-CVEARBPZSA-N	1	0	372.425	1.177	20	30		FDEDRO
CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1	ZINC000504029686	815026535	/nfs/dbraw/zinc/02/65/35/815026535.db2.gz	DJEXHUHSXZBFNI-INIZCTEOSA-N	1	0	374.489	1.815	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)CC1(C)C	ZINC000977318173	804749789	/nfs/dbraw/zinc/74/97/89/804749789.db2.gz	QMOOFQQQEOMFGH-KSZLIROESA-N	1	0	360.502	1.770	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)C12CC[NH+](CC1)C2	ZINC000977799517	804957317	/nfs/dbraw/zinc/95/73/17/804957317.db2.gz	VELAEFMJQUUFBJ-ULQDDVLXSA-N	1	0	361.486	1.123	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCN2C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC000977803330	804965635	/nfs/dbraw/zinc/96/56/35/804965635.db2.gz	BRISLXLSQXSPHZ-IXDOHACOSA-N	1	0	357.458	1.290	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CCN2C(=O)[C@@H]2C[C@H]2C2CC2)CC1	ZINC000977851247	805000765	/nfs/dbraw/zinc/00/07/65/805000765.db2.gz	VBNJKZCDRJUURP-CEXWTWQISA-N	1	0	357.498	1.437	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(CCC)CC1)C2	ZINC001112526935	805056425	/nfs/dbraw/zinc/05/64/25/805056425.db2.gz	DFYIQOZUAIMSMV-WWMYMODYSA-N	1	0	359.514	1.923	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCc2cnn(CC)c2)C1	ZINC001027585791	805173861	/nfs/dbraw/zinc/17/38/61/805173861.db2.gz	PLTMHTUDJJKOAI-OTWHNJEPSA-N	1	0	360.502	1.959	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1c1ccccc1	ZINC001211675726	805274516	/nfs/dbraw/zinc/27/45/16/805274516.db2.gz	XVNHGIHTVDTCLR-YDZRNGNQSA-N	1	0	353.466	1.496	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]21	ZINC000978290237	805328540	/nfs/dbraw/zinc/32/85/40/805328540.db2.gz	HYOBORVAQVEJHD-XFJVPLAMSA-N	1	0	361.467	1.218	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCO[C@H]3c3cnn(C)c3)[C@@H]2C1	ZINC000978278370	805332577	/nfs/dbraw/zinc/33/25/77/805332577.db2.gz	DNGOWSBRWQZGGQ-QQXKLLMISA-N	1	0	358.486	1.758	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC000978294046	805344332	/nfs/dbraw/zinc/34/43/32/805344332.db2.gz	POVIWEQPMQPJTR-FLTXXLLZSA-N	1	0	355.438	1.156	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)[C@@H]2C1	ZINC000978343786	805373078	/nfs/dbraw/zinc/37/30/78/805373078.db2.gz	XSPPCCGJGUONMU-LBELIVKGSA-N	1	0	368.783	1.379	20	30		FDEDRO
C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NCC(=O)NCC#N	ZINC000511922071	805402390	/nfs/dbraw/zinc/40/23/90/805402390.db2.gz	WYIUZBYSEJAPQC-HUUCEWRRSA-N	1	0	357.458	1.082	20	30		FDEDRO
Cc1cnn(CC(=O)N2CC[C@H]3CN(Cc4ccc(F)c(C#N)c4)C[C@H]32)c1	ZINC001075594652	807296442	/nfs/dbraw/zinc/29/64/42/807296442.db2.gz	FRJUSGXFKZRJMV-QFBILLFUSA-N	1	0	367.428	1.935	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1	ZINC000423519748	815109729	/nfs/dbraw/zinc/10/97/29/815109729.db2.gz	DOZYFTYXXKEFNY-QRQLOZEOSA-N	1	0	368.481	1.872	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1	ZINC000981111492	807569924	/nfs/dbraw/zinc/56/99/24/807569924.db2.gz	PJRMDAIZIFIQBZ-IJEWVQPXSA-N	1	0	357.458	1.243	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000981178659	807656378	/nfs/dbraw/zinc/65/63/78/807656378.db2.gz	VYXBSHLNICTJQT-JSSFPYSZSA-N	1	0	371.485	1.631	20	30		FDEDRO
CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(C)CCOCc1ccc(C#N)cc1	ZINC000423587965	815153182	/nfs/dbraw/zinc/15/31/82/815153182.db2.gz	DHNSKTHGJYCYHN-SFHVURJKSA-N	1	0	374.485	1.365	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1	ZINC000981340038	807915803	/nfs/dbraw/zinc/91/58/03/807915803.db2.gz	MAGPWSHPGZPLNU-HDMKZQKVSA-N	1	0	371.485	1.774	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc1	ZINC000981375659	807975484	/nfs/dbraw/zinc/97/54/84/807975484.db2.gz	GHDYYRJRRQWYTI-GVDBMIGSSA-N	1	0	354.454	1.029	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cn(Cc2noc(C)n2)nn1)C(C)C	ZINC000278979460	807979237	/nfs/dbraw/zinc/97/92/37/807979237.db2.gz	IFQOSJJTZURFIN-INIZCTEOSA-N	1	0	373.461	1.446	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)CC1	ZINC000981544923	808116179	/nfs/dbraw/zinc/11/61/79/808116179.db2.gz	XBUFULMQOKEHDP-ABHMUUKNSA-N	1	0	371.525	1.779	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1	ZINC000981583548	808184787	/nfs/dbraw/zinc/18/47/87/808184787.db2.gz	ZXDZWNOGYJYEJU-DLBZAZTESA-N	1	0	370.497	1.785	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2CC[C@H](CNC(=O)C34CCC[NH+]3CCC4)C2)c1	ZINC000981769908	808487676	/nfs/dbraw/zinc/48/76/76/808487676.db2.gz	MSLYYYOIMPPLLQ-GOEBONIOSA-N	1	0	369.469	1.529	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2CC[C@H](CNC(=O)C34CCC[NH+]3CCC4)C2)[nH]1	ZINC000981769978	808488098	/nfs/dbraw/zinc/48/80/98/808488098.db2.gz	PNMONABLVFRLMZ-LSDHHAIUSA-N	1	0	369.469	1.529	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1	ZINC000981785830	808494203	/nfs/dbraw/zinc/49/42/03/808494203.db2.gz	STBIXHFFPIBHLB-DLBZAZTESA-N	1	0	370.497	1.785	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)c1	ZINC001028139657	808622303	/nfs/dbraw/zinc/62/23/03/808622303.db2.gz	AZBXVUKAEHHEIY-SQNIBIBYSA-N	1	0	354.454	1.540	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(C)CCOCc2ccc(C#N)cc2)C1	ZINC000423741217	815231515	/nfs/dbraw/zinc/23/15/15/815231515.db2.gz	SPDMWLVQKABAEW-CRAIPNDOSA-N	1	0	372.469	1.119	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@H]1CCC[C@@H]1CCO	ZINC000279310273	808858861	/nfs/dbraw/zinc/85/88/61/808858861.db2.gz	RGYBFVQCDCPBRF-PBHICJAKSA-N	1	0	353.426	1.823	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CC)C[C@H]1c1ccccc1	ZINC001211702954	808871063	/nfs/dbraw/zinc/87/10/63/808871063.db2.gz	MSMLGZMRWZDFND-SLFFLAALSA-N	1	0	367.493	1.995	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O	ZINC000637376239	808906617	/nfs/dbraw/zinc/90/66/17/808906617.db2.gz	JVGUQVHFJIGEMI-SFHVURJKSA-N	1	0	374.485	1.733	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCN(C(C)=O)C2)C[C@H]1c1ccccc1	ZINC001211715606	809142227	/nfs/dbraw/zinc/14/22/27/809142227.db2.gz	FGFLMHKDSFQUDG-HSALFYBXSA-N	1	0	353.466	1.462	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](NC(C)=O)C2CCCC2)[C@H](OC)C1	ZINC001213145767	809332603	/nfs/dbraw/zinc/33/26/03/809332603.db2.gz	YUZNBAFBOGFRAA-KURKYZTESA-N	1	0	351.491	1.463	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)C(C)C)C[C@H]1c1ccccc1	ZINC001211724121	809339131	/nfs/dbraw/zinc/33/91/31/809339131.db2.gz	MXXKUVVZJJZSKB-ZWKOTPCHSA-N	1	0	362.495	1.417	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C(=O)N2CC[C@H](C)C2)C1	ZINC001087441625	809471275	/nfs/dbraw/zinc/47/12/75/809471275.db2.gz	QWWWNLCPDAKBSD-DFQSSKMNSA-N	1	0	367.493	1.852	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000419105689	809563835	/nfs/dbraw/zinc/56/38/35/809563835.db2.gz	BZVLUXBKQSULGQ-DOMZBBRYSA-N	1	0	367.371	1.287	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC(=O)N2C)C1	ZINC001087442570	809691391	/nfs/dbraw/zinc/69/13/91/809691391.db2.gz	OZQWFHUNXKNVAH-VAMGGRTRSA-N	1	0	367.493	1.995	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1	ZINC000473284665	809713322	/nfs/dbraw/zinc/71/33/22/809713322.db2.gz	ROSXSURYZQPARQ-INIZCTEOSA-N	1	0	370.453	1.696	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NCc1cccc(NC(=O)c2ccncc2)c1	ZINC000424139403	815316008	/nfs/dbraw/zinc/31/60/08/815316008.db2.gz	AKPMFGJVQKBYLC-QGZVFWFLSA-N	1	0	351.410	1.971	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNC(=O)NCC#C[C@H]2CCCCO2)ccn1	ZINC000893915280	809806915	/nfs/dbraw/zinc/80/69/15/809806915.db2.gz	WYJORLROTDINDW-QGZVFWFLSA-N	1	0	360.458	1.394	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCC4(C[C@@H]3F)OCCO4)C2=O)cc1	ZINC000894005576	809862066	/nfs/dbraw/zinc/86/20/66/809862066.db2.gz	LKZFVDMEERBYOH-KSZLIROESA-N	1	0	373.428	1.882	20	30		FDEDRO
CC#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1	ZINC001087454119	810042400	/nfs/dbraw/zinc/04/24/00/810042400.db2.gz	CNVYBMJGTKLZAR-BHIYHBOVSA-N	1	0	371.456	1.649	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCN(C)C(=O)C2)C[C@H]1C(F)(F)F	ZINC001112122350	810104282	/nfs/dbraw/zinc/10/42/82/810104282.db2.gz	ISKWHZCJMOCZDU-BFHYXJOUSA-N	1	0	361.408	1.800	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC(C3N=NC(=O)N3CC)CC2)CC1	ZINC000664019983	810173271	/nfs/dbraw/zinc/17/32/71/810173271.db2.gz	PMAAAABLJYQCSJ-UHFFFAOYSA-N	1	0	362.478	1.543	20	30		FDEDRO
COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)cc1	ZINC000424540648	815387499	/nfs/dbraw/zinc/38/74/99/815387499.db2.gz	GRHXNKZSTKQUMF-UNQWWWNPSA-N	1	0	370.453	1.065	20	30		FDEDRO
CC[NH+]=C(NCCN1C(=O)CNC1=O)N1CCCC2(C1)CCCCCC2	ZINC000261768437	810788800	/nfs/dbraw/zinc/78/88/00/810788800.db2.gz	NTANZOOYQPXKFX-UHFFFAOYSA-N	1	0	363.506	1.940	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCc4ccoc4)[C@@H]3C2)C1=O	ZINC001075669683	811073226	/nfs/dbraw/zinc/07/32/26/811073226.db2.gz	CYHSCPXXJMPUSP-OKZBNKHCSA-N	1	0	357.454	1.532	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)nn1	ZINC000424746733	815425559	/nfs/dbraw/zinc/42/55/59/815425559.db2.gz	FCIKCZJSZLBKOO-DLBZAZTESA-N	1	0	355.442	1.219	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)N1CCN(c2ncccn2)CC1	ZINC000261607962	811284011	/nfs/dbraw/zinc/28/40/11/811284011.db2.gz	DYNOBJHMBGPFOW-OAGGEKHMSA-N	1	0	356.474	1.132	20	30		FDEDRO
C[NH+]=C(NCc1cnc(N(C)C)n1C)N1CC[C@H](C)[C@H](n2ccnc2)C1	ZINC000261663513	811293618	/nfs/dbraw/zinc/29/36/18/811293618.db2.gz	BALWQFMZRXGCOY-GOEBONIOSA-N	1	0	358.494	1.341	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N1CCN(C[C@H]2CCOC2)CC1	ZINC000261704510	811300992	/nfs/dbraw/zinc/30/09/92/811300992.db2.gz	JMHKJTWWAAXBQX-RCOXNQKVSA-N	1	0	368.525	1.802	20	30		FDEDRO
C[NH+]=C(NC[C@H](C)c1c(C)noc1C)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261842510	811330992	/nfs/dbraw/zinc/33/09/92/811330992.db2.gz	WLRWAWHVOYLVRD-LBPRGKRZSA-N	1	0	373.461	1.053	20	30		FDEDRO
C[NH+]=C(NCc1nccn1C)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1	ZINC000261842793	811331034	/nfs/dbraw/zinc/33/10/34/811331034.db2.gz	WUFOEBAFGCFXEV-UHFFFAOYSA-N	1	0	374.876	1.493	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCOc2ccccc21)N1CCN(C[C@H]2CCOC2)CC1	ZINC000261856745	811332414	/nfs/dbraw/zinc/33/24/14/811332414.db2.gz	XYHLAMUJLDGTBL-MSOLQXFVSA-N	1	0	372.513	1.782	20	30		FDEDRO
C[NH+]=C(NCc1ccc2c(c1)OCO2)N1CCN(C[C@H]2CCOC2)CC1	ZINC000261873347	811336185	/nfs/dbraw/zinc/33/61/85/811336185.db2.gz	ZZULRPQDIBOSHD-MRXNPFEDSA-N	1	0	360.458	1.145	20	30		FDEDRO
C[NH+]=C(NCc1ccc(C(N)=O)o1)N[C@@H]1CCCN(c2ccccc2)C1	ZINC000262407311	811460217	/nfs/dbraw/zinc/46/02/17/811460217.db2.gz	OUMVZGXAYBNJDN-CQSZACIVSA-N	1	0	355.442	1.713	20	30		FDEDRO
C[NH+]=C(NCc1nnc2ccc(C(F)(F)F)cn21)N1CC[C@H](COC)C1	ZINC000262464469	811473813	/nfs/dbraw/zinc/47/38/13/811473813.db2.gz	NIHRMCAOPPHYHX-NSHDSACASA-N	1	0	370.379	1.792	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCC2)N1CCN(c2cccc(C)c2C)CC1	ZINC000262525463	811485385	/nfs/dbraw/zinc/48/53/85/811485385.db2.gz	GKLKYNUAEKWWLU-UHFFFAOYSA-N	1	0	367.501	1.739	20	30		FDEDRO
CC[NH+]=C(NCc1cccc(O)c1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1	ZINC000261800523	811756427	/nfs/dbraw/zinc/75/64/27/811756427.db2.gz	RKNABBZNIDYIMO-IBGZPJMESA-N	1	0	373.457	1.168	20	30		FDEDRO
C=CCCCNC(=O)C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000280467881	811832831	/nfs/dbraw/zinc/83/28/31/811832831.db2.gz	MWAYJOJAFSWIEG-UHFFFAOYSA-N	1	0	358.486	1.845	20	30		FDEDRO
C[C@H](CC[NH3+])NC(=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1	ZINC000419630537	812051988	/nfs/dbraw/zinc/05/19/88/812051988.db2.gz	DCFNXMUKECBEFX-CQSZACIVSA-N	1	0	350.422	1.695	20	30		FDEDRO
N#Cc1ccccc1-c1ccc(CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)cc1	ZINC000419645915	812071091	/nfs/dbraw/zinc/07/10/91/812071091.db2.gz	PZFNKGAAFLSXTI-IBGZPJMESA-N	1	0	362.433	1.695	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)c1ccc(F)c(F)c1	ZINC000419686158	812102270	/nfs/dbraw/zinc/10/22/70/812102270.db2.gz	YQWXOSDSRPCHPE-KEYYUXOJSA-N	1	0	363.408	1.766	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCc3cc(N)ccc32)CC1	ZINC000419725631	812117584	/nfs/dbraw/zinc/11/75/84/812117584.db2.gz	IQSVZJXIWXOGHY-LJQANCHMSA-N	1	0	370.497	1.919	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)[C@H]1CCC[NH2+]C1	ZINC000419882684	812274804	/nfs/dbraw/zinc/27/48/04/812274804.db2.gz	IOYKYBLOXQPTHQ-GDAAHCPNSA-N	1	0	368.481	1.789	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1	ZINC000420070907	813437275	/nfs/dbraw/zinc/43/72/75/813437275.db2.gz	KLKDLLODJDFDOL-GOSISDBHSA-N	1	0	372.469	1.167	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C	ZINC000420151128	813511493	/nfs/dbraw/zinc/51/14/93/813511493.db2.gz	XYMDENOLMKGJAS-CJNGLKHVSA-N	1	0	360.414	1.224	20	30		FDEDRO
CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1	ZINC000420171395	813527201	/nfs/dbraw/zinc/52/72/01/813527201.db2.gz	TWMRATZSEBIAEY-KRWDZBQOSA-N	1	0	370.453	1.042	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C2CC2)cc1	ZINC000420196604	813546667	/nfs/dbraw/zinc/54/66/67/813546667.db2.gz	AQSBQBCVMLIDPR-KZNAEPCWSA-N	1	0	366.465	1.554	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1	ZINC000983008495	813916495	/nfs/dbraw/zinc/91/64/95/813916495.db2.gz	MFYCBRYGMZJGLF-BBWFWOEESA-N	1	0	361.486	1.171	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)[C@H]2C1	ZINC000502729905	814243411	/nfs/dbraw/zinc/24/34/11/814243411.db2.gz	XHAZYEVCLCBJSW-QMTMVMCOSA-N	1	0	365.474	1.570	20	30		FDEDRO
Cc1cc(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)nn1CCC#N	ZINC000272046087	814556021	/nfs/dbraw/zinc/55/60/21/814556021.db2.gz	GNLJIBJLRTUQNE-IAGOWNOFSA-N	1	0	374.489	1.995	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N	ZINC000272463750	814714834	/nfs/dbraw/zinc/71/48/34/814714834.db2.gz	CUQJQRWILYJIHY-AWEZNQCLSA-N	1	0	362.430	1.000	20	30		FDEDRO
N#CCCCNC(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1	ZINC000273133734	814788550	/nfs/dbraw/zinc/78/85/50/814788550.db2.gz	RKFRTWVLNJCWQF-UHFFFAOYSA-N	1	0	358.442	1.910	20	30		FDEDRO
COc1ccc([C@H](CNC(=[NH2+])N(C)C2CC2)N2CCOCC2)cc1OC	ZINC000273338745	814792980	/nfs/dbraw/zinc/79/29/80/814792980.db2.gz	MAOIKWZAZQXWIL-INIZCTEOSA-N	1	0	362.474	1.486	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc3nnnn3c2)C[C@H]1C(F)(F)F	ZINC001112130288	814800014	/nfs/dbraw/zinc/80/00/14/814800014.db2.gz	LHCZVQLSDXCACX-CHWSQXEVSA-N	1	0	368.363	1.683	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC(=O)N2CCCCCC2)C1	ZINC001028809846	815784400	/nfs/dbraw/zinc/78/44/00/815784400.db2.gz	OZYRPAYJZNQLFZ-KURKYZTESA-N	1	0	363.502	1.418	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)N[C@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1	ZINC000514627440	815909753	/nfs/dbraw/zinc/90/97/53/815909753.db2.gz	JMVDVQHFMXMAPE-ROUUACIJSA-N	1	0	357.454	1.734	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)NCCCC[NH+]1CCN(CCO)CC1	ZINC000435152941	815923947	/nfs/dbraw/zinc/92/39/47/815923947.db2.gz	FBFJKGNNMNIJKR-UHFFFAOYSA-N	1	0	363.437	1.209	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3nc(C)nn3C2)C[C@H]1C(F)(F)F	ZINC001112135596	816112025	/nfs/dbraw/zinc/11/20/25/816112025.db2.gz	FELWKEVANHQCJM-MGPQQGTHSA-N	1	0	371.407	1.704	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000435640131	816117225	/nfs/dbraw/zinc/11/72/25/816117225.db2.gz	XDNKIWNVMRGZFD-ZDUSSCGKSA-N	1	0	374.416	1.253	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1C#N	ZINC000435835573	816199434	/nfs/dbraw/zinc/19/94/34/816199434.db2.gz	NMBAXNBQAFDIAB-BBRMVZONSA-N	1	0	358.442	1.883	20	30		FDEDRO
C=CCn1cc(CNC(=O)NCc2ccccc2OCC[NH+](C)C)nn1	ZINC000425433702	816282633	/nfs/dbraw/zinc/28/26/33/816282633.db2.gz	MNUVUFFTUVMGOA-UHFFFAOYSA-N	1	0	358.446	1.404	20	30		FDEDRO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O	ZINC000425443290	816293881	/nfs/dbraw/zinc/29/38/81/816293881.db2.gz	LQWZUJUEMJMZNG-WMLDXEAASA-N	1	0	357.458	1.600	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)NC[C@H]3C[NH2+]CCCO3)CC2)cc1	ZINC000515621226	816348534	/nfs/dbraw/zinc/34/85/34/816348534.db2.gz	JMBQICSABGTLNV-GOSISDBHSA-N	1	0	358.442	1.490	20	30		FDEDRO
CC[NH+]1CCN(CCCNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1	ZINC000505776898	816378136	/nfs/dbraw/zinc/37/81/36/816378136.db2.gz	LQEDIYCRQSGAGN-IBGZPJMESA-N	1	0	366.506	1.392	20	30		FDEDRO
COCC(C)(C)[NH+]1CCN(C(=O)NCc2ccc(C#N)c(OC)c2)CC1	ZINC000425555609	816518370	/nfs/dbraw/zinc/51/83/70/816518370.db2.gz	ZICSVXZFFMAFII-UHFFFAOYSA-N	1	0	360.458	1.819	20	30		FDEDRO
N#C[C@H]1CC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1	ZINC000425851664	817228368	/nfs/dbraw/zinc/22/83/68/817228368.db2.gz	UECNHZKYBVEZGC-INDMIFKZSA-N	1	0	356.470	1.861	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1	ZINC000425860535	817237415	/nfs/dbraw/zinc/23/74/15/817237415.db2.gz	TZLQPYLPBNLZMA-YRXWBPOGSA-N	1	0	364.534	1.778	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCC[N@@H+](C)Cc1ccccc1	ZINC000425868473	817255937	/nfs/dbraw/zinc/25/59/37/817255937.db2.gz	TXPAVTYSQMXCBH-ROUUACIJSA-N	1	0	359.470	1.332	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1	ZINC000425906964	817359504	/nfs/dbraw/zinc/35/95/04/817359504.db2.gz	AODHPGBGXXGOBK-ONIAQPFYSA-N	1	0	361.486	1.169	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)cc2C1=O	ZINC000517366290	817411606	/nfs/dbraw/zinc/41/16/06/817411606.db2.gz	PZHQAMCOFVFZGH-SJORKVTESA-N	1	0	353.422	1.825	20	30		FDEDRO
CSc1cccc(N2C[C@H](C(=O)NC3(C#N)CC[NH+](C)CC3)CC2=O)c1	ZINC000517580428	817499261	/nfs/dbraw/zinc/49/92/61/817499261.db2.gz	XCROSESWXRXFTM-CQSZACIVSA-N	1	0	372.494	1.866	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCN(C)C(=O)C2)c(OC)c1	ZINC000517733162	817554190	/nfs/dbraw/zinc/55/41/90/817554190.db2.gz	VARYQOVMDUVZQJ-IRXDYDNUSA-N	1	0	362.470	1.621	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1	ZINC000439599378	818009495	/nfs/dbraw/zinc/00/94/95/818009495.db2.gz	USRBVVFFVGOMDH-KRWDZBQOSA-N	1	0	370.453	1.236	20	30		FDEDRO
CCn1ncc(C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)n1	ZINC001075763056	818123863	/nfs/dbraw/zinc/12/38/63/818123863.db2.gz	HUWLRLPFKRIJFY-FUHWJXTLSA-N	1	0	350.426	1.516	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2COCCO2)C1	ZINC001087472692	818174639	/nfs/dbraw/zinc/17/46/39/818174639.db2.gz	SAJOMBJVGSBGNO-GBESFXJTSA-N	1	0	360.454	1.571	20	30		FDEDRO
C#CCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C[C@H]2COC(=O)C2)C1	ZINC001087474172	818246362	/nfs/dbraw/zinc/24/63/62/818246362.db2.gz	PHQQQUVEHVNHPA-MNEFBYGVSA-N	1	0	370.449	1.556	20	30		FDEDRO
C#CCN1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)c2cnon2)C1	ZINC001087477996	818484393	/nfs/dbraw/zinc/48/43/93/818484393.db2.gz	URUSVJBXRFEUIN-BBRMVZONSA-N	1	0	358.373	1.438	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CCCO[C@H]3C=C)C2)C1=O	ZINC000983699378	818608782	/nfs/dbraw/zinc/60/87/82/818608782.db2.gz	VIDYPDWAVCGLAI-ZKXLYKBJSA-N	1	0	361.486	1.239	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CCCO[C@H]3C=C)C2)C1=O	ZINC000983699372	818608785	/nfs/dbraw/zinc/60/87/85/818608785.db2.gz	VIDYPDWAVCGLAI-DZVNLGKHSA-N	1	0	361.486	1.239	20	30		FDEDRO
C[N@H+](CCCNC(=O)C(=O)Nc1cccc(C#N)n1)Cc1ccccc1	ZINC000519601065	818736466	/nfs/dbraw/zinc/73/64/66/818736466.db2.gz	NFKMQZRKIRAWPL-UHFFFAOYSA-N	1	0	351.410	1.530	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1	ZINC000473878724	818951855	/nfs/dbraw/zinc/95/18/55/818951855.db2.gz	UCNPLFRMWWLDLR-FQEVSTJZSA-N	1	0	367.534	1.958	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1	ZINC000520274596	819278772	/nfs/dbraw/zinc/27/87/72/819278772.db2.gz	NEDYAARNBWRDKF-UHFFFAOYSA-N	1	0	365.518	1.810	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+][C@@H]1CCN(C(C)C)C1=O	ZINC001167992076	819405943	/nfs/dbraw/zinc/40/59/43/819405943.db2.gz	RJRMIVSRBIHNCI-BBWFWOEESA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)N1CCCCC1	ZINC001167991288	819409796	/nfs/dbraw/zinc/40/97/96/819409796.db2.gz	LTYHSTHHXFZIGA-SQNIBIBYSA-N	1	0	365.518	1.855	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCN(C(=O)Cc3ccccc3)C2)C1	ZINC000328852943	819567068	/nfs/dbraw/zinc/56/70/68/819567068.db2.gz	BVVZLOJMYYMNJY-ROUUACIJSA-N	1	0	358.486	1.818	20	30		FDEDRO
O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC1)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000328889962	819578510	/nfs/dbraw/zinc/57/85/10/819578510.db2.gz	RGYJJVJELGYTGH-UWWQBHOKSA-N	1	0	364.490	1.842	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C(=O)[C@@H]3CCCCN3C2=O)C1	ZINC000328893052	819579931	/nfs/dbraw/zinc/57/99/31/819579931.db2.gz	UVVUNMWPKXFJFT-CABCVRRESA-N	1	0	366.462	1.116	20	30		FDEDRO
CN1C(=O)N[C@@H]2CN(C(=O)NC3CC[NH+](C4CCCCC4)CC3)CC[C@@H]21	ZINC000328972512	819603011	/nfs/dbraw/zinc/60/30/11/819603011.db2.gz	BWHADQFEZQSEPR-SJORKVTESA-N	1	0	363.506	2.000	20	30		FDEDRO
COc1ccc([C@H](CNC(=O)N2CC[C@H](C)[C@H](O)C2)[NH+](C)C)cc1OC	ZINC000330656298	819628107	/nfs/dbraw/zinc/62/81/07/819628107.db2.gz	NHXCVCLOKXAULH-CWRNSKLLSA-N	1	0	365.474	1.923	20	30		FDEDRO
COc1ccc(C(=O)N(C)C)cc1NC(=O)NCC1(O)CC[NH+](C)CC1	ZINC000330846714	819648573	/nfs/dbraw/zinc/64/85/73/819648573.db2.gz	CGMJUQYYYQOXPX-UHFFFAOYSA-N	1	0	364.446	1.180	20	30		FDEDRO
COc1ccc(NC(C)=O)cc1NC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C	ZINC000331158001	819668008	/nfs/dbraw/zinc/66/80/08/819668008.db2.gz	DYQGNKIOYYYICH-QWHCGFSZSA-N	1	0	364.446	1.586	20	30		FDEDRO
COC(=O)C1(CNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CCCCC1	ZINC000331269970	819672440	/nfs/dbraw/zinc/67/24/40/819672440.db2.gz	FQDFWFSMJWLFRS-HNNXBMFYSA-N	1	0	369.506	1.801	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N(C)CC3CC[NH+](C)CC3)cc2C1=O	ZINC000520471272	819827800	/nfs/dbraw/zinc/82/78/00/819827800.db2.gz	SCLGQSKODHOCGA-UHFFFAOYSA-N	1	0	355.438	1.882	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)[C@@H](CC)[NH+](C)C)cn1	ZINC000983883839	819924406	/nfs/dbraw/zinc/92/44/06/819924406.db2.gz	UVIQBHLOHUSEFR-AYOQOUSVSA-N	1	0	370.497	1.760	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1	ZINC000983923579	820106204	/nfs/dbraw/zinc/10/62/04/820106204.db2.gz	OYXOREYBSBYXNA-VKJFTORMSA-N	1	0	371.485	1.585	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc4cccnc43)C[C@@H]2O)c[nH]1	ZINC001083414643	820220083	/nfs/dbraw/zinc/22/00/83/820220083.db2.gz	OADDUKCVIJDXHE-MSOLQXFVSA-N	1	0	361.405	1.410	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2nccnc2N)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087524826	820469949	/nfs/dbraw/zinc/46/99/49/820469949.db2.gz	OWCYMYCOMLJRMX-JKSUJKDBSA-N	1	0	350.426	1.713	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCc2ncnn21	ZINC001029311790	820535628	/nfs/dbraw/zinc/53/56/28/820535628.db2.gz	DQZLUWMPRFKFLA-ILOCAZANSA-N	1	0	371.485	1.422	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(=O)OC)c(C)c2)CC1	ZINC000442309492	821129767	/nfs/dbraw/zinc/12/97/67/821129767.db2.gz	WRDFGKURIBIAFU-UHFFFAOYSA-N	1	0	359.426	1.487	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C[C@H]1CCNC(=O)CC1	ZINC001087545522	821247339	/nfs/dbraw/zinc/24/73/39/821247339.db2.gz	ONWHSSVRXFGUFU-UKPHBRMFSA-N	1	0	357.458	1.385	20	30		FDEDRO
C=CCC[C@H](NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)OCC	ZINC000521560529	821293061	/nfs/dbraw/zinc/29/30/61/821293061.db2.gz	CBFVTAQKBLCZDQ-PXNSSMCTSA-N	1	0	360.454	1.638	20	30		FDEDRO
C=CCC[C@@H](NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)OCC	ZINC000521560533	821293399	/nfs/dbraw/zinc/29/33/99/821293399.db2.gz	CBFVTAQKBLCZDQ-XLIONFOSSA-N	1	0	360.454	1.638	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1CC(=O)N1CCCC[C@H]1C	ZINC001087548640	821307218	/nfs/dbraw/zinc/30/72/18/821307218.db2.gz	HBLGNGGZOZRYBU-FHLIZLRMSA-N	1	0	371.485	1.870	20	30		FDEDRO
C[C@]1(C[C@@H]2CCC[N@@H+]2Cc2cnc3ccc(C#N)cn23)NC(=O)NC1=O	ZINC000521851745	821368154	/nfs/dbraw/zinc/36/81/54/821368154.db2.gz	JHBBVMAEDHISSH-SCLBCKFNSA-N	1	0	352.398	1.159	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCc2cnn(C)c2)[C@@H]1CC	ZINC001087576494	821581433	/nfs/dbraw/zinc/58/14/33/821581433.db2.gz	KSLYNMUXDKFKFG-HCXYKTFWSA-N	1	0	360.502	1.913	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCNC2=O)CC[N@@H+]1CC#Cc1ccc(F)cc1	ZINC001087600217	821681283	/nfs/dbraw/zinc/68/12/83/821681283.db2.gz	NDZDOYBXVOUPSY-NZSAHSFTSA-N	1	0	371.456	1.673	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCc2ccnn2C)[C@@H]1CC	ZINC001087607295	821716643	/nfs/dbraw/zinc/71/66/43/821716643.db2.gz	WOSCNLCBLGFFSQ-OTWHNJEPSA-N	1	0	357.502	1.029	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cn[nH]c(=O)c2)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087614043	821749579	/nfs/dbraw/zinc/74/95/79/821749579.db2.gz	XGJVMJOXKWBABN-LSDHHAIUSA-N	1	0	357.439	1.898	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@H]1CC	ZINC001087628170	821808560	/nfs/dbraw/zinc/80/85/60/821808560.db2.gz	FPENAWQPKZFCKT-UONOGXRCSA-N	1	0	355.460	1.476	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2Cc3cc(C(=O)OCC)nn3C[C@H]2C)CC1	ZINC000895229428	821954435	/nfs/dbraw/zinc/95/44/35/821954435.db2.gz	VLBNFLMBTZKKLQ-CQSZACIVSA-N	1	0	358.442	1.136	20	30		FDEDRO
C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)[C@H]1CC	ZINC001087668224	821968685	/nfs/dbraw/zinc/96/86/85/821968685.db2.gz	JVNCCLGSGZEHQY-HCXYKTFWSA-N	1	0	365.518	1.411	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087687161	822040820	/nfs/dbraw/zinc/04/08/20/822040820.db2.gz	PQYUZFMRYTUYSB-GVDBMIGSSA-N	1	0	355.442	1.051	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087690056	822047244	/nfs/dbraw/zinc/04/72/44/822047244.db2.gz	HHGYLYJGHZFYJT-KSZLIROESA-N	1	0	354.454	1.648	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087713377	822169969	/nfs/dbraw/zinc/16/99/69/822169969.db2.gz	ITQUIDDPTKJQSU-DOTOQJQBSA-N	1	0	353.426	1.780	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](CC[C@H]3CCOC3)[C@@H]2CC)nn1	ZINC001087756492	822379726	/nfs/dbraw/zinc/37/97/26/822379726.db2.gz	UBNQWLOINLKECH-XYJFISCASA-N	1	0	361.490	1.864	20	30		FDEDRO
C=C(Cl)CN1CC[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)[C@H]1CC	ZINC001087776298	822415533	/nfs/dbraw/zinc/41/55/33/822415533.db2.gz	USAZFPRUQDEFCW-LSDHHAIUSA-N	1	0	352.866	1.582	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C(=O)N2CC[C@H](C)C2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087789918	822440109	/nfs/dbraw/zinc/44/01/09/822440109.db2.gz	MOBPFUGSJJJAPP-ZYSHUDEJSA-N	1	0	368.481	1.896	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C[C@@H]3CCc4ncnn43)[C@@H]2CC)cn1	ZINC001087801633	822461622	/nfs/dbraw/zinc/46/16/22/822461622.db2.gz	YYTBQAJGGDTBSF-OKZBNKHCSA-N	1	0	364.453	1.425	20	30		FDEDRO
N#Cc1cccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)c1	ZINC000984414160	822509976	/nfs/dbraw/zinc/50/99/76/822509976.db2.gz	HNYIVQLYDBHOIK-VYJAJWGXSA-N	1	0	369.465	1.594	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)Cn2ccccc2=O)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087824191	822511953	/nfs/dbraw/zinc/51/19/53/822511953.db2.gz	NYKRNLYKHALBJD-RBUKOAKNSA-N	1	0	364.449	1.889	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3ncc(C)o3)[C@@H]2CC)CC1	ZINC001087840151	822559234	/nfs/dbraw/zinc/55/92/34/822559234.db2.gz	KEIRNIRAOIIPLM-ZWKOTPCHSA-N	1	0	358.486	1.797	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087850696	822599957	/nfs/dbraw/zinc/59/99/57/822599957.db2.gz	RDJZUFMRERCHIY-IXDOHACOSA-N	1	0	368.437	1.080	20	30		FDEDRO
C=C[C@H](CO)[NH2+]Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)o1	ZINC000895461607	822610378	/nfs/dbraw/zinc/61/03/78/822610378.db2.gz	VHFSNPJSLZFPJZ-CQSZACIVSA-N	1	0	351.447	1.973	20	30		FDEDRO
CC[NH+]=C(NCCc1cn2c(n1)CCCC2)NC1CCN(C(C)=O)CC1	ZINC000262235111	822614457	/nfs/dbraw/zinc/61/44/57/822614457.db2.gz	MYMSOUDDVWVJFB-UHFFFAOYSA-N	1	0	360.506	1.328	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C(=O)O1	ZINC000895594211	822666967	/nfs/dbraw/zinc/66/69/67/822666967.db2.gz	KSTGSUHQYWVFTK-CXAGYDPISA-N	1	0	356.426	1.526	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CCCC4=O)C[C@@H]3C2)c1	ZINC001087879180	822696798	/nfs/dbraw/zinc/69/67/98/822696798.db2.gz	FJYNXNJZTPSKPK-MOPGFXCFSA-N	1	0	366.465	1.461	20	30		FDEDRO
C=C(C)C[C@@H](CO)[NH2+]C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1	ZINC000895712826	822714139	/nfs/dbraw/zinc/71/41/39/822714139.db2.gz	DMQYEAVSXWKIIW-CVEARBPZSA-N	1	0	369.506	1.666	20	30		FDEDRO
C#CCN1CCC[C@@H]([NH2+]Cc2sc(N3CCOCC3)nc2Cl)C1	ZINC000895748510	822726913	/nfs/dbraw/zinc/72/69/13/822726913.db2.gz	POWFEBSGVIZWHS-CYBMUJFWSA-N	1	0	354.907	1.820	20	30		FDEDRO
C#CC[NH+]1CCC(Nc2ccccc2S(=O)(=O)NCCCOC)CC1	ZINC000895811578	822755808	/nfs/dbraw/zinc/75/58/08/822755808.db2.gz	SUQDCIHHMXVPIG-UHFFFAOYSA-N	1	0	365.499	1.511	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCc4ccccc43)CC[C@@H]2C1	ZINC001087909247	823754592	/nfs/dbraw/zinc/75/45/92/823754592.db2.gz	FSODGSBRHQCXGD-NXHRZFHOSA-N	1	0	366.465	1.516	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(C(=O)N(C)C)c3)CC[C@@H]2C1	ZINC001087909433	823755553	/nfs/dbraw/zinc/75/55/53/823755553.db2.gz	LPDTYBTVOJAIIT-LZQZEXGQSA-N	1	0	368.481	1.828	20	30		FDEDRO
CCn1cc(CC[N@@H+]2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]3C2)cn1	ZINC001087925342	823937315	/nfs/dbraw/zinc/93/73/15/823937315.db2.gz	HYGJYTDPHSMUPP-MSOLQXFVSA-N	1	0	366.469	1.739	20	30		FDEDRO
CC(C)N1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]3C2)C1=O	ZINC001087934624	823978073	/nfs/dbraw/zinc/97/80/73/823978073.db2.gz	QJIVXSPFYGRATF-RVKKMQEKSA-N	1	0	369.469	1.290	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3COC(=O)C3)C[C@@H]2C1	ZINC001087933842	823989780	/nfs/dbraw/zinc/98/97/80/823989780.db2.gz	HTZGVXHUOCXZLV-IPELMVKDSA-N	1	0	367.449	1.792	20	30		FDEDRO
COc1nccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]3C2)n1	ZINC001087938734	824017123	/nfs/dbraw/zinc/01/71/23/824017123.db2.gz	IRWYJNSVOXDBAN-KGLIPLIRSA-N	1	0	366.425	1.279	20	30		FDEDRO
N#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](C[C@@H]4CCNC(=O)CC4)CC[C@@H]3C2)[nH]1	ZINC001087938620	824017153	/nfs/dbraw/zinc/01/71/53/824017153.db2.gz	CWFAVWNOYXMNTM-XHSDSOJGSA-N	1	0	369.469	1.197	20	30		FDEDRO
CN1CCOC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@@H]2C1	ZINC001087940661	824037896	/nfs/dbraw/zinc/03/78/96/824037896.db2.gz	RSUQEAMWGWTJAD-AABGKKOBSA-N	1	0	368.481	1.169	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccnn4CC)C[C@@H]3C2)C1=O	ZINC001087946490	824061951	/nfs/dbraw/zinc/06/19/51/824061951.db2.gz	NPBNEAHUGQTUEB-IKGGRYGDSA-N	1	0	371.485	1.084	20	30		FDEDRO
Cn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4C#N)CC[C@@H]3C2)nn1	ZINC001087956509	824146206	/nfs/dbraw/zinc/14/62/06/824146206.db2.gz	STABCLNMZXZQQU-SJORKVTESA-N	1	0	350.426	1.281	20	30		FDEDRO
CO[C@H](C[N@@H+]1C[C@@H](NC(=O)CSCC#N)[C@H](OC)C1)C1CCCC1	ZINC001211886566	824161389	/nfs/dbraw/zinc/16/13/89/824161389.db2.gz	OWQXHTWVQCTBTL-BZUAXINKSA-N	1	0	355.504	1.264	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H]2C[N@H+]([C@H]3CCN(C4CCC4)C3=O)CC[C@@H]2C1	ZINC001087961811	824183207	/nfs/dbraw/zinc/18/32/07/824183207.db2.gz	KRWOFABRUUQBDU-AOIWGVFYSA-N	1	0	355.482	1.334	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(C4CCOCC4)n3)C[C@@H]2C1	ZINC001087966817	824250029	/nfs/dbraw/zinc/25/00/29/824250029.db2.gz	WXNZRHXUZHXIEB-SJORKVTESA-N	1	0	356.470	1.652	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)Cn3nccn3)C[C@@H]2C1	ZINC001087980782	824347614	/nfs/dbraw/zinc/34/76/14/824347614.db2.gz	SLXNHPTWHMBOTH-MSOLQXFVSA-N	1	0	350.426	1.130	20	30		FDEDRO
C[C@@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@H]1C[N@H+](C)CCN1C	ZINC000896538363	824521167	/nfs/dbraw/zinc/52/11/67/824521167.db2.gz	CZPITWZNSVRRHW-ZWNOBZJWSA-N	1	0	355.364	1.336	20	30		FDEDRO
C=CC[N@@H+](C)CCN(CC)Cc1nnc2n1c1ccccc1c(=O)n2C	ZINC000429702948	828665034	/nfs/dbraw/zinc/66/50/34/828665034.db2.gz	PFTYEGAWIDLFTM-UHFFFAOYSA-N	1	0	354.458	1.521	20	30		FDEDRO
CC(=O)N1CCC[C@@](O)(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)C1	ZINC000329136530	824618855	/nfs/dbraw/zinc/61/88/55/824618855.db2.gz	RAYHBRLKLBNWIH-IBGZPJMESA-N	1	0	367.490	1.351	20	30		FDEDRO
CCC[C@@H]1CN(C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)CC[N@@H+]1CCOC	ZINC000329145707	824625853	/nfs/dbraw/zinc/62/58/53/824625853.db2.gz	NWZRWYVCBQGHEJ-LMMKCTJWSA-N	1	0	369.506	1.671	20	30		FDEDRO
Cn1cnnc1[C@H]1CCCN1C(=O)NC1CC[NH+](Cc2ccccn2)CC1	ZINC000329151930	824632364	/nfs/dbraw/zinc/63/23/64/824632364.db2.gz	AKJDOKFIFATQSF-QGZVFWFLSA-N	1	0	369.473	1.926	20	30		FDEDRO
Cc1nc(Cn2nnc(NC(=O)N3CCC[C@H]3C[NH+]3CCCC3)c2C)no1	ZINC000329151213	824632715	/nfs/dbraw/zinc/63/27/15/824632715.db2.gz	ZZRYCBBHSCMVIE-AWEZNQCLSA-N	1	0	374.449	1.432	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(CC(=O)NC2CCCCC2)CC1	ZINC000329162700	824638800	/nfs/dbraw/zinc/63/88/00/824638800.db2.gz	FYRKJLVOPUNNSB-QGZVFWFLSA-N	1	0	365.522	1.901	20	30		FDEDRO
CN(C)c1nnc(-c2ccc(NC(=O)NCC3(O)CC[NH+](C)CC3)cc2)o1	ZINC000329172457	824645954	/nfs/dbraw/zinc/64/59/54/824645954.db2.gz	KLWNHQYPZBKVMY-UHFFFAOYSA-N	1	0	374.445	1.585	20	30		FDEDRO
CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C([O-])=[NH+][C@H]2CCc3nc(C)nn3C2)C1	ZINC000329190656	824659255	/nfs/dbraw/zinc/65/92/55/824659255.db2.gz	QDJCRHCEQQZRLL-JYJNAYRXSA-N	1	0	362.478	1.000	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)[C@@H]1CCCC[N@@H+]1C	ZINC000984746823	824675583	/nfs/dbraw/zinc/67/55/83/824675583.db2.gz	WMANJAHHWZGSOC-UAGQMJEPSA-N	1	0	357.458	1.480	20	30		FDEDRO
C[C@@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)[C@@H]1CCC[NH+](C2CCC2)C1	ZINC000329372619	824759291	/nfs/dbraw/zinc/75/92/91/824759291.db2.gz	JMFYSUCTYXUVGF-WNRNVDISSA-N	1	0	366.550	1.940	20	30		FDEDRO
CC(C)c1nnc2n1C[C@H]([NH+]=C([O-])N1CC[N@@H+](C[C@H](C)O)C[C@H]1C)CC2	ZINC000329393678	824768577	/nfs/dbraw/zinc/76/85/77/824768577.db2.gz	UVIBQKONJPTPQD-QLFBSQMISA-N	1	0	364.494	1.017	20	30		FDEDRO
Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCOC3(CCC3)C2)CCC[N@@H+]1C	ZINC000329433254	824786356	/nfs/dbraw/zinc/78/63/56/824786356.db2.gz	IKXQSQRNWDGOEF-DOTOQJQBSA-N	1	0	361.490	1.972	20	30		FDEDRO
Cn1cc(-n2cc(C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)ccc2=O)cn1	ZINC000329445831	824795976	/nfs/dbraw/zinc/79/59/76/824795976.db2.gz	BKUOECWSZYVAMC-HNNXBMFYSA-N	1	0	355.442	1.893	20	30		FDEDRO
C[C@@H]1c2nncn2CCN1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C	ZINC000329514338	824844458	/nfs/dbraw/zinc/84/44/58/824844458.db2.gz	YERUBZBNNIRJSX-IJEWVQPXSA-N	1	0	372.477	1.385	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)CCc1cncn1C	ZINC000984781798	824877368	/nfs/dbraw/zinc/87/73/68/824877368.db2.gz	GPJPBZSHAZXNDJ-DOTOQJQBSA-N	1	0	368.441	1.362	20	30		FDEDRO
Cc1c(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cnn1CCC#N	ZINC000896781787	824884817	/nfs/dbraw/zinc/88/48/17/824884817.db2.gz	UNDWLOLIQCUGDW-UHFFFAOYSA-N	1	0	359.474	1.822	20	30		FDEDRO
CN(C)C(=O)CNC(=[NH+]C[C@@H]1CCCO1)N1CCC[C@]2(CCCOC2)C1	ZINC000262303808	824983021	/nfs/dbraw/zinc/98/30/21/824983021.db2.gz	OEOPNVYSZOTIRW-LPHOPBHVSA-N	1	0	366.506	1.092	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCN(C3CCC3)C2=O)C1	ZINC000984825550	825032188	/nfs/dbraw/zinc/03/21/88/825032188.db2.gz	CCFXHPXRXMOWSZ-XQZMSQOBSA-N	1	0	361.486	1.215	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc3nonc3c2)C1	ZINC000984825913	825032967	/nfs/dbraw/zinc/03/29/67/825032967.db2.gz	IOZKZJUHINCVOU-ADAWSYLGSA-N	1	0	356.426	1.798	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3OCC[C@H]3C)C2)cc1C#N	ZINC000984816935	825039081	/nfs/dbraw/zinc/03/90/81/825039081.db2.gz	RECQDZMOXWGUFH-VWMOJTHMSA-N	1	0	357.454	1.976	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(C4CCCC4)CCNC3=O)C[C@@H]2C1	ZINC001087999218	825052726	/nfs/dbraw/zinc/05/27/26/825052726.db2.gz	BILSZHQOVLZRKD-WWMYMODYSA-N	1	0	357.498	1.487	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3c3ncccn3)C[C@@H]2C1	ZINC001088000055	825058146	/nfs/dbraw/zinc/05/81/46/825058146.db2.gz	NTMBCQFQGOADKV-FGTMMUONSA-N	1	0	355.486	1.802	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnc(C)nc3)CC[C@@H]2C1	ZINC001087997913	825073230	/nfs/dbraw/zinc/07/32/30/825073230.db2.gz	GRUYPYQVAWJUGP-AABGKKOBSA-N	1	0	367.497	1.163	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCO[C@H]3c3nccn3C)C[C@@H]2C1	ZINC001087998283	825078415	/nfs/dbraw/zinc/07/84/15/825078415.db2.gz	AGZGHMHIADKNOI-FCGDIQPGSA-N	1	0	370.497	1.691	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3nc4ncc(C)cn4n3)C[C@@H]2C1	ZINC001088006560	825166859	/nfs/dbraw/zinc/16/68/59/825166859.db2.gz	LSKKPRHHCAFREQ-CVEARBPZSA-N	1	0	354.458	1.793	20	30		FDEDRO
N#CC1(NC(=O)CN2CCCN(C(=O)CCc3ccccc3)CC2)CCC1	ZINC000525885605	828746996	/nfs/dbraw/zinc/74/69/96/828746996.db2.gz	UNWRGMRZJVPZLT-UHFFFAOYSA-N	1	0	368.481	1.716	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCC(=O)NC4)C[C@@H]3C2)c1	ZINC001088021894	825339969	/nfs/dbraw/zinc/33/99/69/825339969.db2.gz	KKCWIYVKBFSVKT-OTWHNJEPSA-N	1	0	366.465	1.365	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnn(CC)n2)C1	ZINC000984903389	825342702	/nfs/dbraw/zinc/34/27/02/825342702.db2.gz	XTHRABFWIOUKFL-LAQRGFTBSA-N	1	0	361.490	1.654	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(C)c3C(F)(F)F)C[C@@H]2C1	ZINC001088026074	825402736	/nfs/dbraw/zinc/40/27/36/825402736.db2.gz	QRCWCQJFTOWBAG-OLZOCXBDSA-N	1	0	354.376	1.856	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCCN(c4cccnc4)C3=O)[C@@H]2C1	ZINC000329765831	825436430	/nfs/dbraw/zinc/43/64/30/825436430.db2.gz	XJYODMVUTHWATG-DJIMGWMZSA-N	1	0	357.458	1.517	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)CC1	ZINC000329767950	825438825	/nfs/dbraw/zinc/43/88/25/825438825.db2.gz	FZXUCFOWNCKPKO-OAHLLOKOSA-N	1	0	362.478	1.212	20	30		FDEDRO
Cc1cc(N2CCC[C@H](NC(=O)N(C)CC[NH+]3CCCC3)C2=O)n(C)n1	ZINC000329773775	825445197	/nfs/dbraw/zinc/44/51/97/825445197.db2.gz	LRAFIQMMOGGSHR-HNNXBMFYSA-N	1	0	362.478	1.166	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCN(C(C)C)C2=O)C1	ZINC000984918607	825458290	/nfs/dbraw/zinc/45/82/90/825458290.db2.gz	ASTYRGYZVQAYKH-ATIWLJMLSA-N	1	0	363.502	1.461	20	30		FDEDRO
C[C@@H]1C[NH+](C[C@@H]2CCCN2C([O-])=[NH+][C@@H]2CCc3c[nH]nc3C2)C[C@@H](C)O1	ZINC000329868110	825514897	/nfs/dbraw/zinc/51/48/97/825514897.db2.gz	XAEQECDPYUXBJB-SRABZTEZSA-N	1	0	361.490	1.755	20	30		FDEDRO
COc1cccc([C@@H](C)N2C[C@@H](NC(=O)CSCC#N)[C@H](OC)C2)c1	ZINC001211888809	825518036	/nfs/dbraw/zinc/51/80/36/825518036.db2.gz	PNCPSKOZBIBPHN-KBRIMQKVSA-N	1	0	363.483	1.828	20	30		FDEDRO
C[C@@H](CNC(=O)Cc1cccc(N2CCCC2=O)c1)N1CC[NH+](C)CC1	ZINC000329888591	825524762	/nfs/dbraw/zinc/52/47/62/825524762.db2.gz	ZDOHSGRYUFHAAG-INIZCTEOSA-N	1	0	358.486	1.948	20	30		FDEDRO
CC(=O)N1CC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C1	ZINC000329910982	825543156	/nfs/dbraw/zinc/54/31/56/825543156.db2.gz	AHHCTHAIGCUSQH-GOSISDBHSA-N	1	0	374.485	1.268	20	30		FDEDRO
CC[NH+]1CCN(c2cccc(NC(=O)N3C[C@@H]4[C@H](C3)OCCN4C)c2)CC1	ZINC000329925831	825545937	/nfs/dbraw/zinc/54/59/37/825545937.db2.gz	KCZLQNYHRSGCPV-MOPGFXCFSA-N	1	0	373.501	1.389	20	30		FDEDRO
CC[NH+]1CCN(c2cccc(NC(=O)N3C[C@@H](C)O[C@@H](CO)C3)c2)CC1	ZINC000329938445	825553374	/nfs/dbraw/zinc/55/33/74/825553374.db2.gz	FBFKKIFUUFTLBO-CRAIPNDOSA-N	1	0	362.474	1.456	20	30		FDEDRO
CC(=O)N1CC[C@H](NC(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)C1	ZINC000329940687	825556379	/nfs/dbraw/zinc/55/63/79/825556379.db2.gz	BUFIZJAZDSVOFS-NUJGCVRESA-N	1	0	365.522	1.012	20	30		FDEDRO
Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CC[NH+]3CCC2CC3)CCCC1	ZINC000329940905	825556523	/nfs/dbraw/zinc/55/65/23/825556523.db2.gz	GLTPQLJEAZLEAU-UHFFFAOYSA-N	1	0	373.501	1.961	20	30		FDEDRO
CC(C)(CNC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)C[NH+]1CCCC1	ZINC000330041790	825608901	/nfs/dbraw/zinc/60/89/01/825608901.db2.gz	DISAOYIVGVNNFQ-MRXNPFEDSA-N	1	0	366.506	1.346	20	30		FDEDRO
CC(C)n1ncc2c1C[C@H]([NH+]=C([O-])N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)CC2	ZINC000330074418	825621686	/nfs/dbraw/zinc/62/16/86/825621686.db2.gz	CWCZBMOGNUNLFK-YQQAZPJKSA-N	1	0	363.506	1.622	20	30		FDEDRO
C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1	ZINC000330079325	825623195	/nfs/dbraw/zinc/62/31/95/825623195.db2.gz	FXWSGERCMMFXSY-MMTVNHQJSA-N	1	0	362.478	1.766	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@@H]2CCCc3c[nH]nc32)CC1	ZINC000330123419	825656267	/nfs/dbraw/zinc/65/62/67/825656267.db2.gz	HNNRFYROUYQYFV-IAGOWNOFSA-N	1	0	360.506	1.803	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)C[C@@H]2C1	ZINC001088058518	825685647	/nfs/dbraw/zinc/68/56/47/825685647.db2.gz	COHMXXPSQUZHNI-CABCVRRESA-N	1	0	360.458	1.485	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CC[N@@H+]1C	ZINC000330166480	825697080	/nfs/dbraw/zinc/69/70/80/825697080.db2.gz	YCQITRFPCNMAFD-CVEARBPZSA-N	1	0	374.489	1.345	20	30		FDEDRO
CC[N@@H+]1C[C@H](C)N(C(=O)NCc2cccc(N3CCOCC3)n2)C[C@H]1C	ZINC000330165477	825697295	/nfs/dbraw/zinc/69/72/95/825697295.db2.gz	XAVTWPNVVYOTEP-CVEARBPZSA-N	1	0	361.490	1.747	20	30		FDEDRO
CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000330168506	825697990	/nfs/dbraw/zinc/69/79/90/825697990.db2.gz	AXNLMKZAKOFZOO-WMZOPIPTSA-N	1	0	374.485	1.592	20	30		FDEDRO
CC(=O)N1CCN(C(=O)N[C@@H]2CCn3ccnc3C2)CC12CCCCC2	ZINC000330195383	825724760	/nfs/dbraw/zinc/72/47/60/825724760.db2.gz	PDGVBNVXHXNYCI-MRXNPFEDSA-N	1	0	359.474	1.979	20	30		FDEDRO
Cc1nn(C)c(C)c1[C@H]1[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CC2)CC(=O)N1C	ZINC000330207457	825733585	/nfs/dbraw/zinc/73/35/85/825733585.db2.gz	AIRBWSVESQBPCI-IIDMSEBBSA-N	1	0	359.474	1.892	20	30		FDEDRO
CN(C[C@H](O)CN1CCOCC1)C(=O)N[C@@H]1CCOC2(CCCCC2)C1	ZINC000330210128	825735326	/nfs/dbraw/zinc/73/53/26/825735326.db2.gz	CETXLRHAPIXUON-SJORKVTESA-N	1	0	369.506	1.407	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000526055500	828819705	/nfs/dbraw/zinc/81/97/05/828819705.db2.gz	PRVBGXWDUFZCFD-BBWFWOEESA-N	1	0	362.518	1.759	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2c(C)nnn2CC)CC1	ZINC000985658253	828821835	/nfs/dbraw/zinc/82/18/35/828821835.db2.gz	PKXFYTLSTRZWCN-AEFFLSMTSA-N	1	0	361.490	1.620	20	30		FDEDRO
C[NH+]1CCN(CCNC(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)CC1	ZINC000330270277	825783614	/nfs/dbraw/zinc/78/36/14/825783614.db2.gz	TWMXSTMXLGPACJ-GOSISDBHSA-N	1	0	359.430	1.338	20	30		FDEDRO
Cn1cc(C[N@@H+]2CCCN(C([O-])=[NH+][C@H]3CCn4ccnc4C3)CC2)cn1	ZINC000330274103	825784298	/nfs/dbraw/zinc/78/42/98/825784298.db2.gz	JOWXCDNUYIDXMH-INIZCTEOSA-N	1	0	357.462	1.053	20	30		FDEDRO
CN1CC[NH+](CC2(C)CCN(C(=O)N[C@@H]3CCn4ccnc4C3)CC2)CC1	ZINC000330279288	825786162	/nfs/dbraw/zinc/78/61/62/825786162.db2.gz	QUZIGPRQAKWDBW-QGZVFWFLSA-N	1	0	374.533	1.461	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC(OC[C@H]2CCCCO2)CC1	ZINC000330307019	825865099	/nfs/dbraw/zinc/86/50/99/825865099.db2.gz	LRAHDRYMKHZBCK-SJLPKXTDSA-N	1	0	368.522	1.196	20	30		FDEDRO
Cn1cc([C@H]2OCC[C@@H]2C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cn1	ZINC000330308767	825865633	/nfs/dbraw/zinc/86/56/33/825865633.db2.gz	TUFVTUUKEYRDDN-FUHWJXTLSA-N	1	0	370.457	1.933	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C2=NO[C@H](CNC(=O)OC(C)(C)C)C2)CC1	ZINC000281241944	825921566	/nfs/dbraw/zinc/92/15/66/825921566.db2.gz	LWYOMMUHYVKKLE-AWEZNQCLSA-N	1	0	366.462	1.423	20	30		FDEDRO
CN1C(=O)CC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@@H]2C1	ZINC001088071480	825937221	/nfs/dbraw/zinc/93/72/21/825937221.db2.gz	KDPNPNUEQJVFCN-QYZOEREBSA-N	1	0	366.465	1.459	20	30		FDEDRO
C[C@H]1CN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC[N@@H+]1CC(C)(C)O	ZINC000281377106	825948216	/nfs/dbraw/zinc/94/82/16/825948216.db2.gz	ZJEHAIYYGLOMDD-MAUKXSAKSA-N	1	0	354.454	1.544	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC3(C)C)[C@@H]2CC)CC1	ZINC000984990210	826007925	/nfs/dbraw/zinc/00/79/25/826007925.db2.gz	YKBUMTDRYRUEKM-FGTMMUONSA-N	1	0	359.514	1.873	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C)nc(C)c4)[C@@H]3C2)C1=O	ZINC001075835400	826056383	/nfs/dbraw/zinc/05/63/83/826056383.db2.gz	PFTOXPLWGVOHDX-QXAKKESOSA-N	1	0	368.481	1.632	20	30		FDEDRO
O=C(N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1)[C@@]1(F)CCOC1	ZINC001088080852	826144179	/nfs/dbraw/zinc/14/41/79/826144179.db2.gz	PQRKXCSIAKXHRP-SVFBPWRDSA-N	1	0	356.441	1.947	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@]2(CO)CCOc3ccccc32)cc1	ZINC000281689259	826156705	/nfs/dbraw/zinc/15/67/05/826156705.db2.gz	MYYBIVPGGWQPHW-JXFKEZNVSA-N	1	0	354.406	1.558	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2CC)nc1	ZINC000985066865	826270991	/nfs/dbraw/zinc/27/09/91/826270991.db2.gz	UQBCXHDACQFJCC-PKOBYXMFSA-N	1	0	368.481	1.514	20	30		FDEDRO
N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@H]3C2)c1	ZINC001088108491	826425639	/nfs/dbraw/zinc/42/56/39/826425639.db2.gz	DHOKUVZHYVYIEP-XBVQOTNRSA-N	1	0	370.428	1.099	20	30		FDEDRO
CCO[C@@H]1C[C@@H](NC(=[NH+]C)N2CCN(c3ncccn3)CC2)C12CCCC2	ZINC000262416207	826513212	/nfs/dbraw/zinc/51/32/12/826513212.db2.gz	QEMQPPYGWDUPOW-IAGOWNOFSA-N	1	0	372.517	1.912	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1	ZINC001088134671	826583280	/nfs/dbraw/zinc/58/32/80/826583280.db2.gz	ZVLJYCPPNOLLSQ-XWSJACJDSA-N	1	0	373.501	1.430	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2CC)nc1	ZINC000985164340	826664384	/nfs/dbraw/zinc/66/43/84/826664384.db2.gz	NLYDXGYVDBCGCF-FUHWJXTLSA-N	1	0	366.465	1.268	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4nnc[nH]4)C[C@@H]3C2)s1	ZINC001088164911	826942777	/nfs/dbraw/zinc/94/27/77/826942777.db2.gz	DXBAHWDCIBEDGT-OLZOCXBDSA-N	1	0	356.455	1.261	20	30		FDEDRO
CS(=O)(=O)Nc1ccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)cc1	ZINC000262444978	826945355	/nfs/dbraw/zinc/94/53/55/826945355.db2.gz	DCAWHCCMXUSZDW-MRXNPFEDSA-N	1	0	374.466	1.986	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)Cc3ncc[nH]3)[C@@H]2CC)cc1	ZINC000985234749	826978536	/nfs/dbraw/zinc/97/85/36/826978536.db2.gz	XKNXNOIZHBPGFE-DLBZAZTESA-N	1	0	350.422	1.743	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CCOc2ccc(S(C)(=O)=O)cc2)CC1	ZINC000928656898	827110400	/nfs/dbraw/zinc/11/04/00/827110400.db2.gz	FWHRPSIHPAIDNE-UHFFFAOYSA-N	1	0	364.467	1.073	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](CCc4cnn(C)c4)CC[C@@H]3C2)nc1	ZINC001088174276	827219300	/nfs/dbraw/zinc/21/93/00/827219300.db2.gz	OLRXUUPLAYZDIO-MOPGFXCFSA-N	1	0	363.465	1.433	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+]([C@@H](C)C(=O)NC4CC4)CC[C@@H]3C2)cn1	ZINC001088175726	827227594	/nfs/dbraw/zinc/22/75/94/827227594.db2.gz	JPXCJDGWMNUMTA-UAGQMJEPSA-N	1	0	366.465	1.124	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](CCc4ccnn4C)CC[C@@H]3C2)nc1	ZINC001088174084	827254777	/nfs/dbraw/zinc/25/47/77/827254777.db2.gz	GZMZPDXTAGXCTO-MSOLQXFVSA-N	1	0	363.465	1.433	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3nc4nc(C)cc(C)n4n3)C[C@@H]2C1	ZINC001088190192	827342442	/nfs/dbraw/zinc/34/24/42/827342442.db2.gz	MVHLYSLHTIRPKH-CVEARBPZSA-N	1	0	352.442	1.158	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C[C@@H]2C1	ZINC001088196586	827409055	/nfs/dbraw/zinc/40/90/55/827409055.db2.gz	PAPGKHCXXVGTJO-SQNIBIBYSA-N	1	0	357.498	1.581	20	30		FDEDRO
Cn1ncc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)c1C#N	ZINC000475472753	827749561	/nfs/dbraw/zinc/74/95/61/827749561.db2.gz	WSSHYTSANNKWKZ-AWEZNQCLSA-N	1	0	366.425	1.241	20	30		FDEDRO
C[N@H+](Cc1ccc(F)c(C#N)c1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000985431906	827814024	/nfs/dbraw/zinc/81/40/24/827814024.db2.gz	UIKCSJKEJDLMMM-NVXWUHKLSA-N	1	0	360.389	1.785	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCn2cnccc2=O)C[C@H]1C(F)(F)F	ZINC001112186046	827921829	/nfs/dbraw/zinc/92/18/29/827921829.db2.gz	RYAMVQVQRJAQQS-CHWSQXEVSA-N	1	0	358.364	1.188	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000985493538	828019967	/nfs/dbraw/zinc/01/99/67/828019967.db2.gz	DTEDMQCAOUOZPA-DOTOQJQBSA-N	1	0	371.485	1.728	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](CO)[C@@H]1CCCO1	ZINC000447913817	828934830	/nfs/dbraw/zinc/93/48/30/828934830.db2.gz	NNKHLPMDKFGWGW-UXLLHSPISA-N	1	0	361.442	1.460	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C(=O)NCc2ccccc2)CC1	ZINC000527050492	828942730	/nfs/dbraw/zinc/94/27/30/828942730.db2.gz	QNHLGWMMYBMUHS-INIZCTEOSA-N	1	0	368.481	1.966	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C	ZINC000527079886	828952806	/nfs/dbraw/zinc/95/28/06/828952806.db2.gz	VNXGWJMXQYELSG-OAHLLOKOSA-N	1	0	358.442	1.838	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)CSC)C[C@@H]3C2)CC1	ZINC000985690035	828995241	/nfs/dbraw/zinc/99/52/41/828995241.db2.gz	DAPJAGDIIVQLQP-SJORKVTESA-N	1	0	363.527	1.002	20	30		FDEDRO
N#Cc1ccc(CC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)cn1	ZINC000527718088	829162464	/nfs/dbraw/zinc/16/24/64/829162464.db2.gz	FVYKJBXKDHXISQ-UHFFFAOYSA-N	1	0	363.465	1.430	20	30		FDEDRO
N#Cc1ccc(N2C[C@@H](C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2=O)cc1Cl	ZINC000448793837	829251485	/nfs/dbraw/zinc/25/14/85/829251485.db2.gz	MMAGIWOXQKANKW-KBPBESRZSA-N	1	0	372.856	1.917	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)C[C@H]4CCC(=O)NC4)[C@@H]3C2)c1	ZINC001075876618	829335378	/nfs/dbraw/zinc/33/53/78/829335378.db2.gz	UCSWCEFDKHCEIJ-NZSAHSFTSA-N	1	0	366.465	1.507	20	30		FDEDRO
Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2C[C@H](O)COc2ccccc2C#N)cn1	ZINC000528433944	829409535	/nfs/dbraw/zinc/40/95/35/829409535.db2.gz	UCNNVDOVCNLLIY-CEXWTWQISA-N	1	0	370.453	1.620	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CCN1CC[C@H]([C@@H](O)C(F)(F)F)C1	ZINC000528522285	829435340	/nfs/dbraw/zinc/43/53/40/829435340.db2.gz	VTHZYDQTIQSZJY-SWLSCSKDSA-N	1	0	366.339	1.531	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]C[C@H](O)c1cccc(OC)c1	ZINC001168109571	829530169	/nfs/dbraw/zinc/53/01/69/829530169.db2.gz	BTBRYCNFOCJJOK-FHWLQOOXSA-N	1	0	362.470	1.806	20	30		FDEDRO
C[NH+](C)C[C@H](O)COc1ccc(NC(=O)Cc2ccc(C#N)nc2)cc1	ZINC000528812148	829569736	/nfs/dbraw/zinc/56/97/36/829569736.db2.gz	WAYIELUABLWCMA-KRWDZBQOSA-N	1	0	354.410	1.436	20	30		FDEDRO
CCOC(=O)[C@@H]1CCCc2sc(NC(=O)N[C@@H]3C[NH2+]C[C@H]3C#N)nc21	ZINC000841253328	829658583	/nfs/dbraw/zinc/65/85/83/829658583.db2.gz	XCNLZCVJIWKZOU-GMTAPVOTSA-N	1	0	363.443	1.359	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)/C(C)=C/C)C[C@@H]3C2)CC1	ZINC000985916139	830096658	/nfs/dbraw/zinc/09/66/58/830096658.db2.gz	JSCUMWVBZMJZRP-XRZKJLPKSA-N	1	0	357.498	1.605	20	30		FDEDRO
C[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]3C2)CC1	ZINC000985964662	830214915	/nfs/dbraw/zinc/21/49/15/830214915.db2.gz	LMKGUCDSJMBYRK-CVEARBPZSA-N	1	0	369.469	1.149	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000451599458	830405344	/nfs/dbraw/zinc/40/53/44/830405344.db2.gz	OCKOSSKDZSPBJK-KURKYZTESA-N	1	0	371.437	1.301	20	30		FDEDRO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1	ZINC000451653980	830414275	/nfs/dbraw/zinc/41/42/75/830414275.db2.gz	NTBWBUYANQPSCI-PBIMCDDKSA-N	1	0	364.534	1.693	20	30		FDEDRO
COC(=O)[C@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@@H]1c1ccccc1	ZINC000451998886	830498409	/nfs/dbraw/zinc/49/84/09/830498409.db2.gz	CEIGPBVYEYUTTJ-MSOLQXFVSA-N	1	0	368.437	1.531	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)CC1	ZINC000986083706	830601347	/nfs/dbraw/zinc/60/13/47/830601347.db2.gz	PTONGIUKBKHYOK-MOPGFXCFSA-N	1	0	357.498	1.439	20	30		FDEDRO
C=C1CC(C)(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H](C4CC4)[NH+](C)C)C[C@@H]3C2)C1	ZINC000986258311	831387572	/nfs/dbraw/zinc/38/75/72/831387572.db2.gz	GAUCJUKXFSQUEW-FGTMMUONSA-N	1	0	359.514	1.990	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1	ZINC000986393648	831610699	/nfs/dbraw/zinc/61/06/99/831610699.db2.gz	KKAFZSRMUCYADC-AEFFLSMTSA-N	1	0	362.433	1.668	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)CC[C@@H]3C2)C1	ZINC000986421277	831651614	/nfs/dbraw/zinc/65/16/14/831651614.db2.gz	GNVZEWKJWSQLRL-UXLLHSPISA-N	1	0	369.469	1.149	20	30		FDEDRO
CC[C@@H](C(=O)N1C[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1)[NH+](C)C	ZINC000986424918	831658281	/nfs/dbraw/zinc/65/82/81/831658281.db2.gz	LOUJSTUJSXXEBQ-KMFMINBZSA-N	1	0	357.458	1.147	20	30		FDEDRO
CC(C)[C@H](C(=O)N1C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CC[C@@H]2C1)[NH+](C)C	ZINC000986462150	831713323	/nfs/dbraw/zinc/71/33/23/831713323.db2.gz	SIQVXZPJPZJRMV-SOLBZPMBSA-N	1	0	371.485	1.393	20	30		FDEDRO
CC(C)[C@H](C(=O)N1C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CC[C@@H]2C1)[NH+](C)C	ZINC000986462002	831749495	/nfs/dbraw/zinc/74/94/95/831749495.db2.gz	PDYPRJOYWAXQTA-RVKKMQEKSA-N	1	0	371.485	1.393	20	30		FDEDRO
COc1ccc(C#N)cc1CN1CC[C@H](NC(=O)c2nccnc2N)[C@H]1C	ZINC001088497820	831817395	/nfs/dbraw/zinc/81/73/95/831817395.db2.gz	SCZADBAGFYKMKI-DOMZBBRYSA-N	1	0	366.425	1.332	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](CCNC(=O)C[NH+]2CCCC2)C1	ZINC001059724892	831838090	/nfs/dbraw/zinc/83/80/90/831838090.db2.gz	CFHKLHFUFTVFJG-AOIWGVFYSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)CC)C[C@H]1C(F)(F)F	ZINC001112212289	832070415	/nfs/dbraw/zinc/07/04/15/832070415.db2.gz	XZCZBKATUQOXRP-JHJVBQTASA-N	1	0	370.437	1.755	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)CCCC)C[C@H]1C(F)(F)F	ZINC001112213570	832093247	/nfs/dbraw/zinc/09/32/47/832093247.db2.gz	OTRUGOWBPRQRRH-VXGBXAGGSA-N	1	0	356.410	1.366	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C4(CC)CC4)C[C@@H]3C2)CC1	ZINC000986622563	832100219	/nfs/dbraw/zinc/10/02/19/832100219.db2.gz	QWHCYRYCIPFDRE-MOPGFXCFSA-N	1	0	371.525	1.829	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC[C@@H]2CCOC2)C1	ZINC001112216362	832377773	/nfs/dbraw/zinc/37/77/73/832377773.db2.gz	YXZAYUWSNIQNAJ-RBSFLKMASA-N	1	0	364.408	1.985	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1CCc1nnn(C(C)(C)C)n1	ZINC001088529538	832460420	/nfs/dbraw/zinc/46/04/20/832460420.db2.gz	AWGIMJGERRZPOD-OCCSQVGLSA-N	1	0	370.461	1.063	20	30		FDEDRO
[NH2+]=C(NCC1(N2CCN(c3ccccc3)CC2)CCOCC1)NC1CCC1	ZINC000263181544	832629169	/nfs/dbraw/zinc/62/91/69/832629169.db2.gz	UIJAHTDRLDLJPW-UHFFFAOYSA-N	1	0	371.529	1.815	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3ccoc3C)[C@H]2C)CC1	ZINC000987300717	832758682	/nfs/dbraw/zinc/75/86/82/832758682.db2.gz	OHZYLWGEVXMZBD-KDOFPFPSSA-N	1	0	357.454	1.652	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)[C@@]12CC[N@H+](C1)CCC2	ZINC000987645754	833510801	/nfs/dbraw/zinc/51/08/01/833510801.db2.gz	ABROOSXHUUWQJJ-AZOIQLNYSA-N	1	0	355.442	1.091	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1C	ZINC000988861639	837682511	/nfs/dbraw/zinc/68/25/11/837682511.db2.gz	WMHVERBZMBORQY-HFTRVMKXSA-N	1	0	371.485	1.726	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@@H]1C	ZINC000987977185	833856745	/nfs/dbraw/zinc/85/67/45/833856745.db2.gz	SIJKJYWFRKRRQX-COXVUDFISA-N	1	0	357.458	1.478	20	30		FDEDRO
C=CCOCCCNC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000666523628	833881766	/nfs/dbraw/zinc/88/17/66/833881766.db2.gz	XJKINTHCYZPOSV-HDICACEKSA-N	1	0	352.523	1.779	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C	ZINC000988102151	834082999	/nfs/dbraw/zinc/08/29/99/834082999.db2.gz	LBAGNMOTWBUUME-APWZRJJASA-N	1	0	353.466	1.412	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C	ZINC000988277831	834300005	/nfs/dbraw/zinc/30/00/05/834300005.db2.gz	ASQJPMRNDOGQTR-UBDQQSCGSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cnc(C5CC5)o4)[C@@H]3C2)C1=O	ZINC001075898419	834326678	/nfs/dbraw/zinc/32/66/78/834326678.db2.gz	QACZRJIHUFCNDV-HRCADAONSA-N	1	0	370.453	1.485	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+]1CCCC1(C)C	ZINC000454069398	834538821	/nfs/dbraw/zinc/53/88/21/834538821.db2.gz	NBYLDCWSISQWGG-UHFFFAOYSA-N	1	0	358.442	1.886	20	30		FDEDRO
C[C@@H]1CC[N@H+](CCNC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)C1	ZINC000897472177	834951799	/nfs/dbraw/zinc/95/17/99/834951799.db2.gz	PRHMQGQGKRQUBQ-WBVHZDCISA-N	1	0	356.474	1.881	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000359883064	835040581	/nfs/dbraw/zinc/04/05/81/835040581.db2.gz	WYULBDVTKISYFH-SJORKVTESA-N	1	0	361.417	1.901	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH2+]CCCN2CCCS2(=O)=O)cc1	ZINC000729684023	835252925	/nfs/dbraw/zinc/25/29/25/835252925.db2.gz	DRXQLGYBSUGJKA-UHFFFAOYSA-N	1	0	350.488	1.552	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@@H]1C	ZINC000988491927	835514951	/nfs/dbraw/zinc/51/49/51/835514951.db2.gz	AVQSMCSILDLSMH-XOKHGSTOSA-N	1	0	357.458	1.480	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3CCC)[C@H]2C)c1	ZINC000988500113	835595406	/nfs/dbraw/zinc/59/54/06/835595406.db2.gz	XIRKSEHBISIEAM-MNEFBYGVSA-N	1	0	368.481	1.657	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC[C@@]3(CCOC3)C2)CC1	ZINC000245862663	835696419	/nfs/dbraw/zinc/69/64/19/835696419.db2.gz	IZXQNGZPBLNDTO-VQIMIIECSA-N	1	0	374.510	1.569	20	30		FDEDRO
N#Cc1cccnc1-n1cc(NC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cn1	ZINC000455138304	835919807	/nfs/dbraw/zinc/91/98/07/835919807.db2.gz	ISJXTEWVOBNWBA-OAHLLOKOSA-N	1	0	369.429	1.107	20	30		FDEDRO
CC(C)(Cc1ccc(C#N)cc1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC000455340280	836006036	/nfs/dbraw/zinc/00/60/36/836006036.db2.gz	VTOLXMGLBQJXAK-GOSISDBHSA-N	1	0	370.497	1.831	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3[nH]cnc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105669233	844158874	/nfs/dbraw/zinc/15/88/74/844158874.db2.gz	QGWVITFTLRQJGS-HBXLWWENSA-N	1	0	358.486	1.575	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2cccnc2C)[C@@H]1C	ZINC000988738305	836943278	/nfs/dbraw/zinc/94/32/78/836943278.db2.gz	LTPIIVBJDSRPAO-NEWSRXKRSA-N	1	0	368.481	1.136	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cccc3nccn32)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC000988932390	837946795	/nfs/dbraw/zinc/94/67/95/837946795.db2.gz	YFBYOVMPIMIYOQ-OCCSQVGLSA-N	1	0	362.393	1.567	20	30		FDEDRO
Cn1cc(CC[NH2+]C[C@]23CCC[C@H]2CN(C(=O)CSCC#N)C3)cn1	ZINC001112264514	844297661	/nfs/dbraw/zinc/29/76/61/844297661.db2.gz	KTIDKCZFQPWYFZ-WMZOPIPTSA-N	1	0	361.515	1.438	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C	ZINC000989018411	838171728	/nfs/dbraw/zinc/17/17/28/838171728.db2.gz	IFNKJEUFZCYCQK-DAYGRLMNSA-N	1	0	356.470	1.670	20	30		FDEDRO
Cc1nnc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)CSCC#N)C3)s1	ZINC001112264889	844318089	/nfs/dbraw/zinc/31/80/89/844318089.db2.gz	WPPQNWZPLPPNKX-BBRMVZONSA-N	1	0	365.528	1.822	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC000989117937	838371371	/nfs/dbraw/zinc/37/13/71/838371371.db2.gz	MGRWQPNYXRUNSJ-WBMJQRKESA-N	1	0	362.393	1.567	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1	ZINC000271844314	838420108	/nfs/dbraw/zinc/42/01/08/838420108.db2.gz	VEOVIBXYTBQXHS-QWHCGFSZSA-N	1	0	360.414	1.694	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)c1cn(CC2(C)COC2)nn1)C(C)C	ZINC000273513076	838453805	/nfs/dbraw/zinc/45/38/05/838453805.db2.gz	QFQCFTHEVFGFGP-QGZVFWFLSA-N	1	0	361.490	1.743	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C)nc1	ZINC000989164367	838536593	/nfs/dbraw/zinc/53/65/93/838536593.db2.gz	WMHVZONOCIGEAL-AEFFLSMTSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C)cn1	ZINC000989167704	838559138	/nfs/dbraw/zinc/55/91/38/838559138.db2.gz	KBZVVJSYCOJXNO-BEFAXECRSA-N	1	0	368.481	1.514	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1	ZINC000459978233	839169775	/nfs/dbraw/zinc/16/97/75/839169775.db2.gz	UFFVFGWGDWOEPJ-GOSISDBHSA-N	1	0	372.469	1.086	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N(C)C[C@@H]1CC[N@H+](C)C1	ZINC000460018018	839211689	/nfs/dbraw/zinc/21/16/89/839211689.db2.gz	HTXZMMUUVKKHTL-QGZVFWFLSA-N	1	0	359.470	1.620	20	30		FDEDRO
CCN1CCOC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C	ZINC001088683459	839718506	/nfs/dbraw/zinc/71/85/06/839718506.db2.gz	WRDZUNQTKLOICM-MNEFBYGVSA-N	1	0	356.470	1.358	20	30		FDEDRO
C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1C[C@H]1C(=O)N(C)C)CCO2	ZINC001105481032	839757843	/nfs/dbraw/zinc/75/78/43/839757843.db2.gz	VHYHURUHUNDNKP-RXCRORICSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CCC1	ZINC001105563021	839974486	/nfs/dbraw/zinc/97/44/86/839974486.db2.gz	BBDLOYCHNJXONB-FGTMMUONSA-N	1	0	359.514	1.875	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(F)F)[C@H]2C(C)C)C[C@H]1O	ZINC001105584694	839994591	/nfs/dbraw/zinc/99/45/91/839994591.db2.gz	JKHYIVZMZYIMPW-ZXFNITATSA-N	1	0	358.429	1.258	20	30		FDEDRO
C[NH+]1CCC(CNC(=S)N2CCN(c3ccc(C#N)cn3)CC2)CC1	ZINC000760476719	840001159	/nfs/dbraw/zinc/00/11/59/840001159.db2.gz	DZUHHTIXIOOAAS-UHFFFAOYSA-N	1	0	358.515	1.292	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(F)F)[C@@H]2C(C)C)C[C@H]1O	ZINC001105585872	840043522	/nfs/dbraw/zinc/04/35/22/840043522.db2.gz	XSKOEUAMDLLSFG-ADAWSYLGSA-N	1	0	360.445	1.810	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3=COCCO3)[C@H]2C(C)C)C[C@H]1O	ZINC001105590200	840123364	/nfs/dbraw/zinc/12/33/64/840123364.db2.gz	ISMVYRPAYACXED-ZTRFORPCSA-N	1	0	364.486	1.807	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=S)NCC1CC[NH+](C)CC1	ZINC000760497626	840263809	/nfs/dbraw/zinc/26/38/09/840263809.db2.gz	VPRQOJHLQRZDOV-AWEZNQCLSA-N	1	0	373.530	1.075	20	30		FDEDRO
Cn1nnnc1CCC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000898041885	840720926	/nfs/dbraw/zinc/72/09/26/840720926.db2.gz	CRDBDASLPOJTMC-UHFFFAOYSA-N	1	0	350.430	1.710	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C)nc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105598019	840766072	/nfs/dbraw/zinc/76/60/72/840766072.db2.gz	KCFPNQLDCGCJBS-XCJLJZCSSA-N	1	0	355.482	1.993	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCC3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105600590	840998252	/nfs/dbraw/zinc/99/82/52/840998252.db2.gz	JSIUCYZDQUXUDB-HNBVOPMISA-N	1	0	350.503	1.955	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCOCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105604327	841183908	/nfs/dbraw/zinc/18/39/08/841183908.db2.gz	SXMHKGSGNMMQPV-JYBIWHBTSA-N	1	0	350.503	1.793	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cc(C)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105606188	841204631	/nfs/dbraw/zinc/20/46/31/841204631.db2.gz	AZMHHSJTMFRZPX-HNBVOPMISA-N	1	0	358.486	1.181	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)n(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105607488	841230279	/nfs/dbraw/zinc/23/02/79/841230279.db2.gz	SCILESBQZFTQST-MLYOOKFZSA-N	1	0	360.502	1.884	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C)c1	ZINC000989801282	841469314	/nfs/dbraw/zinc/46/93/14/841469314.db2.gz	AZVQSAMYRDFEIH-HFTRVMKXSA-N	1	0	354.454	1.124	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)Cc3[nH]cnc3C)[C@@H]2C)c1	ZINC000989801699	841471837	/nfs/dbraw/zinc/47/18/37/841471837.db2.gz	VGVQMIUNQKCPEK-CJNGLKHVSA-N	1	0	351.410	1.056	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105611006	841748435	/nfs/dbraw/zinc/74/84/35/841748435.db2.gz	OGNQXWMBBNKZFO-FPAYPSAMSA-N	1	0	354.491	1.192	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C)nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105611035	841750279	/nfs/dbraw/zinc/75/02/79/841750279.db2.gz	OMEVDBJERISJBL-SOAMZJECSA-N	1	0	360.502	1.884	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105611242	841839412	/nfs/dbraw/zinc/83/94/12/841839412.db2.gz	PCUAWWXPOVVYCD-JYBIWHBTSA-N	1	0	368.518	1.582	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105611243	841839858	/nfs/dbraw/zinc/83/98/58/841839858.db2.gz	PCUAWWXPOVVYCD-LFGUQSLTSA-N	1	0	368.518	1.582	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@H]1CCN(C(=O)Cc2ncc[nH]2)[C@@H]1C	ZINC000990322899	841991416	/nfs/dbraw/zinc/99/14/16/841991416.db2.gz	IRGJLCPRQLTGTM-KGLIPLIRSA-N	1	0	369.425	1.331	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@@H]1C(C)C	ZINC001105614902	842228725	/nfs/dbraw/zinc/22/87/25/842228725.db2.gz	LFOJSYNQJPOUGN-IZBJGVDFSA-N	1	0	368.518	1.318	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc(=O)[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105615533	842231661	/nfs/dbraw/zinc/23/16/61/842231661.db2.gz	WVFFPRDYXCRTEH-CIWUYKSXSA-N	1	0	357.454	1.390	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(C)c3N)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619820	842240309	/nfs/dbraw/zinc/24/03/09/842240309.db2.gz	RMZKLCOPNGMDCG-YKTARERQSA-N	1	0	361.490	1.158	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cncnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105622550	842247677	/nfs/dbraw/zinc/24/76/77/842247677.db2.gz	CPIVQFXGPIFONE-HNBVOPMISA-N	1	0	356.470	1.009	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH]c(C#N)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105622601	842248383	/nfs/dbraw/zinc/24/83/83/842248383.db2.gz	DJMQBSWCZJMJQQ-XSYGEPLQSA-N	1	0	354.454	1.489	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cncnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105623117	842250640	/nfs/dbraw/zinc/25/06/40/842250640.db2.gz	MQLCRHUPDIJYKS-LFGUQSLTSA-N	1	0	358.486	1.561	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C)nn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105623459	842251387	/nfs/dbraw/zinc/25/13/87/842251387.db2.gz	QDZYQFHFNQQWIO-NWGLXNPWSA-N	1	0	361.490	1.361	20	30		FDEDRO
CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C#CC(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105626434	842257246	/nfs/dbraw/zinc/25/72/46/842257246.db2.gz	AKKXNIDTKFKEIP-IZBJGVDFSA-N	1	0	350.503	1.648	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@H]1C(C)C	ZINC001105631545	842264759	/nfs/dbraw/zinc/26/47/59/842264759.db2.gz	DQTBYGBTERJEOB-MLYOOKFZSA-N	1	0	350.503	1.713	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3c[nH]cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105637239	842271025	/nfs/dbraw/zinc/27/10/25/842271025.db2.gz	LWEAXSPLDDNMIH-IZBJGVDFSA-N	1	0	358.486	1.332	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCn3ccnn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637696	842272880	/nfs/dbraw/zinc/27/28/80/842272880.db2.gz	UUNKREULXVBGSU-RWQQGDIJSA-N	1	0	361.490	1.210	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(CCOC)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105637914	842274509	/nfs/dbraw/zinc/27/45/09/842274509.db2.gz	XKEMEQALMBRDGM-DCXXXQMHSA-N	1	0	362.514	1.793	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn4c3CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001105633595	842282189	/nfs/dbraw/zinc/28/21/89/842282189.db2.gz	VRTUADOAEQTGGP-VELGLUOQSA-N	1	0	370.497	1.432	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(COC)CCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105642695	842319625	/nfs/dbraw/zinc/31/96/25/842319625.db2.gz	LFCTTXUFHSDVCQ-PDOICOKGSA-N	1	0	350.503	1.955	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3cncnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105642824	842320274	/nfs/dbraw/zinc/32/02/74/842320274.db2.gz	NHVCCSFBWPLJGX-RMVXJAJNSA-N	1	0	370.497	1.399	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@@H]1C(C)C	ZINC001105646241	842405337	/nfs/dbraw/zinc/40/53/37/842405337.db2.gz	HZDPMXZHQQTAEM-UOSKARGWSA-N	1	0	365.518	1.301	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@H]1C(C)C	ZINC001105646243	842405869	/nfs/dbraw/zinc/40/58/69/842405869.db2.gz	HZDPMXZHQQTAEM-YVTWGWGSSA-N	1	0	365.518	1.301	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH]c(=O)cc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105656562	842487208	/nfs/dbraw/zinc/48/72/08/842487208.db2.gz	QYVTVGHTDXVAQX-ZJSJBZJDSA-N	1	0	371.481	1.699	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccn(CC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105656236	842492441	/nfs/dbraw/zinc/49/24/41/842492441.db2.gz	OJNPFIGSKJVLQC-FTEYMNFISA-N	1	0	358.486	1.506	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3ccc(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105657288	842494011	/nfs/dbraw/zinc/49/40/11/842494011.db2.gz	XSDRPLAOBKOXEN-LFGUQSLTSA-N	1	0	358.486	1.181	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccn(CC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105657404	842494065	/nfs/dbraw/zinc/49/40/65/842494065.db2.gz	YWJGHSFDBMTBLN-XSYGEPLQSA-N	1	0	358.486	1.506	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccnc3OC)[C@H]2C(C)C)C[C@H]1O	ZINC001105660453	842536013	/nfs/dbraw/zinc/53/60/13/842536013.db2.gz	VGKIWFTXMKVYOF-WIRSXHRWSA-N	1	0	371.481	1.693	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2cccc(CC#N)c2)CC1	ZINC000455902320	842667404	/nfs/dbraw/zinc/66/74/04/842667404.db2.gz	GNNVGVVYHZOPCM-KRWDZBQOSA-N	1	0	355.442	1.523	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COc3cccnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105661141	842667501	/nfs/dbraw/zinc/66/75/01/842667501.db2.gz	FHGXYDVVLDWQPU-QCFAMHMHSA-N	1	0	371.481	1.450	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(OC)o3)[C@H]2C(C)C)C[C@H]1O	ZINC001105661438	842703818	/nfs/dbraw/zinc/70/38/18/842703818.db2.gz	IQYXMOLMMWEVNK-DZJHOTPTSA-N	1	0	360.454	1.891	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3ncccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105661556	842717351	/nfs/dbraw/zinc/71/73/51/842717351.db2.gz	KDMKIHWKYORFEY-DEPWHIHDSA-N	1	0	370.497	1.399	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)NC(C)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105662247	842748906	/nfs/dbraw/zinc/74/89/06/842748906.db2.gz	MUZQGMFVZMILHL-OAFZBRQQSA-N	1	0	351.491	1.053	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)cc1	ZINC001075958742	842803923	/nfs/dbraw/zinc/80/39/23/842803923.db2.gz	SDRWVZBMXUXYNY-RYQLBKOJSA-N	1	0	355.438	1.286	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]32)cc1	ZINC001075958745	842803942	/nfs/dbraw/zinc/80/39/42/842803942.db2.gz	SNCAHDRBMBLWAS-VDZJLULYSA-N	1	0	371.481	1.874	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)n[nH]c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105663480	842810711	/nfs/dbraw/zinc/81/07/11/842810711.db2.gz	UAINPLYYNLGNDO-QQTQMKHKSA-N	1	0	358.486	1.630	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1	ZINC000460804102	842848033	/nfs/dbraw/zinc/84/80/33/842848033.db2.gz	HWXVOKVPKJQASO-QZTJIDSGSA-N	1	0	374.533	1.574	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncccc3F)[C@@H]2C(C)C)C[C@H]1O	ZINC001105664205	842887661	/nfs/dbraw/zinc/88/76/61/842887661.db2.gz	XABWZJWYJRJNEC-QQTQMKHKSA-N	1	0	359.445	1.824	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCCCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105665991	843055030	/nfs/dbraw/zinc/05/50/30/843055030.db2.gz	BYDWOXQYPSQXGP-JYBIWHBTSA-N	1	0	368.518	1.582	20	30		FDEDRO
Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2C#N)c(OCC[NH+](C)C)c1	ZINC000461764657	843156673	/nfs/dbraw/zinc/15/66/73/843156673.db2.gz	ATIPLGFWYQSUCD-LSDHHAIUSA-N	1	0	358.442	1.682	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(Cl)no3)[C@H]2C(C)C)C[C@H]1O	ZINC001105667302	843614798	/nfs/dbraw/zinc/61/47/98/843614798.db2.gz	ALFFMXVSZFTJMA-MHRLRVJTSA-N	1	0	365.861	1.931	20	30		FDEDRO
C=CCN(CCOC)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000478467578	843779544	/nfs/dbraw/zinc/77/95/44/843779544.db2.gz	HDALYUXXNQLISK-UHFFFAOYSA-N	1	0	360.502	1.648	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CCOC)C3)[C@H]2C(C)C)cn1	ZINC001105668855	843842530	/nfs/dbraw/zinc/84/25/30/843842530.db2.gz	NHGPHEFRCSVPKT-XCJLJZCSSA-N	1	0	371.481	1.289	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1C#N	ZINC000842179240	845386647	/nfs/dbraw/zinc/38/66/47/845386647.db2.gz	CTMAACMUXOPHPW-INIZCTEOSA-N	1	0	358.442	1.207	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCn3ccnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105673698	845414037	/nfs/dbraw/zinc/41/40/37/845414037.db2.gz	OEMIMBJVJBFWOO-JYBIWHBTSA-N	1	0	360.502	1.815	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCOCCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105674519	845480396	/nfs/dbraw/zinc/48/03/96/845480396.db2.gz	YJMUHNSTVAKLSE-HNBVOPMISA-N	1	0	366.502	1.029	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000480927763	845948401	/nfs/dbraw/zinc/94/84/01/845948401.db2.gz	GMQLYBIXEHDWJH-RZFLPCETSA-N	1	0	365.518	1.566	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nonc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105676594	845975759	/nfs/dbraw/zinc/97/57/59/845975759.db2.gz	XJSKSPRGCDEWOW-LFEHRJTNSA-N	1	0	362.474	1.924	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@@H]1O	ZINC001083524519	846266827	/nfs/dbraw/zinc/26/68/27/846266827.db2.gz	XZQCIIQRLUIRSW-ZCNNSNEGSA-N	1	0	370.497	1.482	20	30		FDEDRO
CCc1nc(C#N)cc(NC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001060101034	847369215	/nfs/dbraw/zinc/36/92/15/847369215.db2.gz	OHOSHLFZXCETKF-HLLBOEOZSA-N	1	0	370.501	1.901	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)C4CC5(CCC5)C4)[C@@H]3C2)C1=O	ZINC001076149825	847412286	/nfs/dbraw/zinc/41/22/86/847412286.db2.gz	CBLKJNNRKDSPBZ-RYQLBKOJSA-N	1	0	357.498	1.886	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4cccc(C)c4)[C@@H]3C2)C1=O	ZINC001076198022	847526488	/nfs/dbraw/zinc/52/64/88/847526488.db2.gz	UCXIKZKBLBPKSK-SLFFLAALSA-N	1	0	367.493	1.857	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cccnc4OC)[C@@H]3C2)C1=O	ZINC001076204949	847555143	/nfs/dbraw/zinc/55/51/43/847555143.db2.gz	FXTAIJLLJPUGQP-USXIJHARSA-N	1	0	370.453	1.023	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4n[nH]cc4F)[C@@H]3C2)cc1	ZINC001076215137	847580921	/nfs/dbraw/zinc/58/09/21/847580921.db2.gz	RILBGNRZGDRBMY-WMLDXEAASA-N	1	0	369.400	1.798	20	30		FDEDRO
Cn1c(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)cccc1=O	ZINC001076225550	847600632	/nfs/dbraw/zinc/60/06/32/847600632.db2.gz	PPYKGJGKZAFLEW-PKOBYXMFSA-N	1	0	362.433	1.603	20	30		FDEDRO
C[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)C[C@@]2(C)C1	ZINC000913290011	861809393	/nfs/dbraw/zinc/80/93/93/861809393.db2.gz	NCFKJJACJYCNDF-BGYRXZFFSA-N	1	0	364.453	1.740	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cnoc4CC)[C@@H]3C2)C1=O	ZINC001076308275	847824949	/nfs/dbraw/zinc/82/49/49/847824949.db2.gz	YNPNPAVQGAWSSF-NUEKZKHPSA-N	1	0	358.442	1.170	20	30		FDEDRO
COc1cncc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)n1	ZINC001076327179	847888871	/nfs/dbraw/zinc/88/88/71/847888871.db2.gz	NZXNTGLGTHFPRM-FUHWJXTLSA-N	1	0	363.421	1.703	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CC[C@H]3C[N@H+](CC[C@@H]4CCCO4)C[C@H]32)nn1	ZINC001076344890	847919167	/nfs/dbraw/zinc/91/91/67/847919167.db2.gz	DRWDRSJBABAOTB-XYJFISCASA-N	1	0	359.474	1.570	20	30		FDEDRO
C=C(Cl)CN1C[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1	ZINC001076344917	847919266	/nfs/dbraw/zinc/91/92/66/847919266.db2.gz	GGKSDTTWSFRUQH-GOEBONIOSA-N	1	0	351.882	1.344	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)C[C@H]4CCC(=O)N4)[C@@H]3C2)c1	ZINC001076353746	847935576	/nfs/dbraw/zinc/93/55/76/847935576.db2.gz	SDDWBLXQXVFIHF-RCCFBDPRSA-N	1	0	352.438	1.260	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4csc(C)c4)[C@@H]3C2)C1=O	ZINC001076363131	847960022	/nfs/dbraw/zinc/96/00/22/847960022.db2.gz	HKTIJHZMMUADTK-USXIJHARSA-N	1	0	359.495	1.990	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)CN(C[N@@H+]3CC[C@@]4(CCOC4)C3)C2=O)cc1	ZINC000151260886	861857543	/nfs/dbraw/zinc/85/75/43/861857543.db2.gz	YLLQQMRCTGJLTK-LJQANCHMSA-N	1	0	354.410	1.392	20	30		FDEDRO
Cc1nonc1CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001076415348	848088971	/nfs/dbraw/zinc/08/89/71/848088971.db2.gz	KTUSYCNQDDVSSF-FUHWJXTLSA-N	1	0	351.410	1.525	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4cnn5cc[nH]c45)[C@@H]3C2)cc1	ZINC001076503678	848300118	/nfs/dbraw/zinc/30/01/18/848300118.db2.gz	RYPWOQNPJOMOBX-FUHWJXTLSA-N	1	0	360.421	1.881	20	30		FDEDRO
C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(Cc4ccc(C#N)cc4F)C[C@H]32)C1	ZINC001076567942	848460079	/nfs/dbraw/zinc/46/00/79/848460079.db2.gz	NRWYHJIVRZACIN-JENIJYKNSA-N	1	0	356.445	1.682	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2CC[C@H]3C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]32)cc1	ZINC001076617341	848584648	/nfs/dbraw/zinc/58/46/48/848584648.db2.gz	YKFUGFLLYMJKSH-YTQUADARSA-N	1	0	371.481	1.591	20	30		FDEDRO
[NH2+]=C(NCCNS(=O)(=O)c1cccs1)Nc1ccc2c(c1)CCC2	ZINC000160496273	848917041	/nfs/dbraw/zinc/91/70/41/848917041.db2.gz	AKDODRAACHONSK-UHFFFAOYSA-N	1	0	364.496	1.942	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCc4ccccc4C3)C[C@H]2O)c1	ZINC001076856037	849215338	/nfs/dbraw/zinc/21/53/38/849215338.db2.gz	YHCYHRARHOFPJY-JSNMRZPZSA-N	1	0	364.449	1.466	20	30		FDEDRO
CC(C)c1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1	ZINC001076898697	849284627	/nfs/dbraw/zinc/28/46/27/849284627.db2.gz	WCZNFEZWSYZJQR-RTBURBONSA-N	1	0	352.438	1.985	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](CC3CCC(F)(F)CC3)C[C@H]2O)c[nH]1	ZINC001076907695	849302628	/nfs/dbraw/zinc/30/26/28/849302628.db2.gz	ZBCBKDPWDLVTQY-HUUCEWRRSA-N	1	0	352.385	1.487	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC[C@H](C)NC(=O)[C@@H]2C[C@H]2c2ccco2)CC1	ZINC001076917321	849314116	/nfs/dbraw/zinc/31/41/16/849314116.db2.gz	DTDXPBQTDBJOTO-CGTJXYLNSA-N	1	0	371.481	1.739	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1O	ZINC001077018803	849552814	/nfs/dbraw/zinc/55/28/14/849552814.db2.gz	BYSJPCISHFSNJF-MKXGPGLRSA-N	1	0	366.502	1.336	20	30		FDEDRO
COc1ccc([C@@H](CNC(=O)Cn2cnc(C#N)n2)[NH+]2CCCCC2)cc1	ZINC000192922221	849636639	/nfs/dbraw/zinc/63/66/39/849636639.db2.gz	VQFDSOCGMLPEIG-QGZVFWFLSA-N	1	0	368.441	1.502	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](C[C@@H](OC)C2CCCC2)C[C@H]1O	ZINC001077138837	849873291	/nfs/dbraw/zinc/87/32/91/849873291.db2.gz	PMKYPLFUBUAYIG-BHIYHBOVSA-N	1	0	361.486	1.654	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(N(C)C)c2)C[C@H]1O	ZINC001077133092	849882188	/nfs/dbraw/zinc/88/21/88/849882188.db2.gz	FTVYBCKWEWAZHS-UYAOXDASSA-N	1	0	368.481	1.715	20	30		FDEDRO
C=CCn1c(-c2cnccn2)nn(CN2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c1=S	ZINC000904437311	851220268	/nfs/dbraw/zinc/22/02/68/851220268.db2.gz	QOULIULSFRSPKY-KDOFPFPSSA-N	1	0	371.514	1.898	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)C1	ZINC000668434695	851561342	/nfs/dbraw/zinc/56/13/42/851561342.db2.gz	QFUDODXQNJGKEL-MSOLQXFVSA-N	1	0	364.534	1.189	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1	ZINC000904986368	851586401	/nfs/dbraw/zinc/58/64/01/851586401.db2.gz	JIHQQAXFSHNEMG-INIZCTEOSA-N	1	0	374.510	1.816	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH2+]C[C@@H](O)CC3(O)CCCC3)C2=O)cc1	ZINC000905204508	851747911	/nfs/dbraw/zinc/74/79/11/851747911.db2.gz	VSMUPSSLGIQYPO-ROUUACIJSA-N	1	0	357.454	1.699	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1cnc(OC2CCOCC2)c(Cl)c1	ZINC000913522905	862288396	/nfs/dbraw/zinc/28/83/96/862288396.db2.gz	DZZXZNONUHSEGQ-UHFFFAOYSA-N	1	0	351.834	1.588	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1cc(Br)c2ncc(C=O)n2c1	ZINC000913525043	862289434	/nfs/dbraw/zinc/28/94/34/862289434.db2.gz	ICGHBGLVKWAOBG-UHFFFAOYSA-N	1	0	363.215	1.204	20	30		FDEDRO
C=CC[C@H](CO)[NH2+]C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2	ZINC000905356887	851855008	/nfs/dbraw/zinc/85/50/08/851855008.db2.gz	ITCBHRHLXIOWSH-CVEARBPZSA-N	1	0	372.387	1.694	20	30		FDEDRO
CC(=O)N[C@@H](C(=O)NCC#CC[NH+](C)C)c1cccc(Br)c1	ZINC000913525474	862292225	/nfs/dbraw/zinc/29/22/25/862292225.db2.gz	YUZWJHQHBRZQMH-OAHLLOKOSA-N	1	0	366.259	1.308	20	30		FDEDRO
CCc1ccccc1-n1cnnc1SCC(=O)NCC#CC[NH+](C)C	ZINC000913516172	862298866	/nfs/dbraw/zinc/29/88/66/862298866.db2.gz	DZVHVZDWKYCMGC-UHFFFAOYSA-N	1	0	357.483	1.603	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)COc1cccc(NC(=O)c2ccco2)c1	ZINC000913516749	862299051	/nfs/dbraw/zinc/29/90/51/862299051.db2.gz	DHTZAHYYJVFXRV-UHFFFAOYSA-N	1	0	355.394	1.592	20	30		FDEDRO
CCN(CC)S(=O)(=O)c1ccc(N=NC2C[C@H]3CCC[N@@H+](C2)C3)nc1	ZINC000905429846	851935651	/nfs/dbraw/zinc/93/56/51/851935651.db2.gz	XVXUDNDBZJRBKS-CQSZACIVSA-N	1	0	365.503	1.996	20	30		FDEDRO
C[C@@H]1OC[C@]2(CC[C@H](C[NH2+]C[C@H](O)CC3(C#N)CCOCC3)O2)[C@H]1C	ZINC000905481046	851952674	/nfs/dbraw/zinc/95/26/74/851952674.db2.gz	CTDXAXALBRRYFK-DOEOUOAPSA-N	1	0	352.475	1.620	20	30		FDEDRO
COCCOc1cn(-c2ccccc2)nc1C(=O)NCC#CC[NH+](C)C	ZINC000913518038	862303487	/nfs/dbraw/zinc/30/34/87/862303487.db2.gz	BCZLAUCKHQPGRV-UHFFFAOYSA-N	1	0	356.426	1.192	20	30		FDEDRO
Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)NCC#CC[NH+](C)C	ZINC000913522263	862307350	/nfs/dbraw/zinc/30/73/50/862307350.db2.gz	BTXJIEMKUVOXBW-UHFFFAOYSA-N	1	0	364.453	1.508	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F	ZINC000905489249	851990240	/nfs/dbraw/zinc/99/02/40/851990240.db2.gz	AIARZQVKFYVROZ-ZDUSSCGKSA-N	1	0	359.417	1.608	20	30		FDEDRO
COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]CCS(=O)(=O)c3cccc(C#N)c3)[C@@H]2C1	ZINC000905654075	852121848	/nfs/dbraw/zinc/12/18/48/852121848.db2.gz	MBCQMRBLIZNUFA-SRABZTEZSA-N	1	0	362.451	1.509	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C	ZINC000905655855	852123072	/nfs/dbraw/zinc/12/30/72/852123072.db2.gz	SAMRAKRBHKQGRG-HUUCEWRRSA-N	1	0	354.495	1.428	20	30		FDEDRO
Cn1cc([C@@]2(C[NH2+]C[C@@H](O)COc3ccc(CC#N)cc3)CCCO2)cn1	ZINC000905688524	852146274	/nfs/dbraw/zinc/14/62/74/852146274.db2.gz	XLDRHIGDWCINKY-QUCCMNQESA-N	1	0	370.453	1.521	20	30		FDEDRO
C#CCN(CN1C(=O)NC2(CC[NH+](Cc3ccccc3)CC2)C1=O)C(C)C	ZINC000905749620	852224800	/nfs/dbraw/zinc/22/48/00/852224800.db2.gz	PSZXJCLCRBLLJK-UHFFFAOYSA-N	1	0	368.481	1.874	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1OC	ZINC001213221492	852225012	/nfs/dbraw/zinc/22/50/12/852225012.db2.gz	FQOBMJIGYBJMLV-ZHALLVOQSA-N	1	0	356.507	1.846	20	30		FDEDRO
Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)COC1CC[NH+](C)CC1	ZINC000905818699	852310907	/nfs/dbraw/zinc/31/09/07/852310907.db2.gz	DIXYZNSGIGDZQA-UHFFFAOYSA-N	1	0	354.414	1.497	20	30		FDEDRO
CN1CC[N@H+](C)CC(C(=O)N[C@H](C#N)c2cccc(Br)c2)C1	ZINC000906478288	852947041	/nfs/dbraw/zinc/94/70/41/852947041.db2.gz	BCQJNCYPZRZVPJ-OAHLLOKOSA-N	1	0	365.275	1.623	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)C1	ZINC000906641877	853090232	/nfs/dbraw/zinc/09/02/32/853090232.db2.gz	ZWYGMJOZNRXSFJ-QGZVFWFLSA-N	1	0	367.409	1.667	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CCC(C(C)(C)C[NH3+])CC2)cc1	ZINC000906688592	853168149	/nfs/dbraw/zinc/16/81/49/853168149.db2.gz	GWJZVZPHPLYPHI-UHFFFAOYSA-N	1	0	357.454	1.861	20	30		FDEDRO
N#C[C@]1(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC2CCC1CC2	ZINC000906713719	853203039	/nfs/dbraw/zinc/20/30/39/853203039.db2.gz	FYYFOPBPNBCUCB-QQGUTBHFSA-N	1	0	360.502	1.229	20	30		FDEDRO
O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2	ZINC000906716573	853208238	/nfs/dbraw/zinc/20/82/38/853208238.db2.gz	GEQNJLMFYKAADW-IPMKNSEASA-N	1	0	360.417	1.429	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C1	ZINC000906966431	853592830	/nfs/dbraw/zinc/59/28/30/853592830.db2.gz	GGSODADTDZFXOA-HZPDHXFCSA-N	1	0	356.474	1.507	20	30		FDEDRO
C#Cc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1	ZINC000907077518	853745840	/nfs/dbraw/zinc/74/58/40/853745840.db2.gz	AEOLSRZDDFDIJF-APWZRJJASA-N	1	0	361.511	1.314	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)c1ccc(C#N)cn1	ZINC000907242768	853966711	/nfs/dbraw/zinc/96/67/11/853966711.db2.gz	VAEMFJWHXKFXKW-UHFFFAOYSA-N	1	0	350.469	1.767	20	30		FDEDRO
Cc1ncc(S(=O)(=O)NC2CC[NH+](C3CCOCC3)CC2)cc1C#N	ZINC000907327841	854081955	/nfs/dbraw/zinc/08/19/55/854081955.db2.gz	JJIBFDLPCXFGNF-UHFFFAOYSA-N	1	0	364.471	1.183	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)NC1CC[NH+](C2CCOCC2)CC1	ZINC000907330601	854086166	/nfs/dbraw/zinc/08/61/66/854086166.db2.gz	WOZSTCNQYCFCHM-UHFFFAOYSA-N	1	0	363.483	1.788	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1	ZINC000907395262	854142788	/nfs/dbraw/zinc/14/27/88/854142788.db2.gz	XXDUVENRMPVGOP-UHFFFAOYSA-N	1	0	351.472	1.351	20	30		FDEDRO
CC[N@H+](CCNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(C)C	ZINC000486497306	854693134	/nfs/dbraw/zinc/69/31/34/854693134.db2.gz	IMVDIGPJIYBYKS-GOSISDBHSA-N	1	0	371.485	1.689	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(C(=O)c2cccc(C#CCO)c2)CC1	ZINC000908161793	855099302	/nfs/dbraw/zinc/09/93/02/855099302.db2.gz	LSPNAZDHPGGHOT-UHFFFAOYSA-N	1	0	374.481	1.230	20	30		FDEDRO
C=CCCC(=O)[C@H]1CCCN1C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C	ZINC000908633813	855633687	/nfs/dbraw/zinc/63/36/87/855633687.db2.gz	CXSAIABSXPSGHK-LSDHHAIUSA-N	1	0	367.490	1.968	20	30		FDEDRO
C=CCCC(=O)[C@H]1CCCN1C(=O)c1cccc(N2CC[NH+](C)CC2)n1	ZINC000908653858	855659126	/nfs/dbraw/zinc/65/91/26/855659126.db2.gz	XADFTXMZHFIPGV-QGZVFWFLSA-N	1	0	356.470	1.973	20	30		FDEDRO
C=CCn1c(-c2cccnn2)nnc1N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000908710799	855712942	/nfs/dbraw/zinc/71/29/42/855712942.db2.gz	VAQKBTOJUAAQAZ-OAHLLOKOSA-N	1	0	357.462	1.468	20	30		FDEDRO
C=C(C)Cn1c(-c2cccnn2)nnc1N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000909312259	856427552	/nfs/dbraw/zinc/42/75/52/856427552.db2.gz	FRCNRVUVSHHLMY-INIZCTEOSA-N	1	0	371.489	1.858	20	30		FDEDRO
C#CCCCc1nnc(N(C)[C@@H]2CC[N@@H+](C3CC3)C2)n1C[C@@H]1CCOC1	ZINC000910141559	856899645	/nfs/dbraw/zinc/89/96/45/856899645.db2.gz	HCEGJJWLDDNZCX-FUHWJXTLSA-N	1	0	357.502	1.943	20	30		FDEDRO
C[C@H](C#N)CN(C)C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000910814933	857705495	/nfs/dbraw/zinc/70/54/95/857705495.db2.gz	IMCJZKAOMAWDLN-NZSAHSFTSA-N	1	0	368.481	1.585	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)C1	ZINC000910837607	857741112	/nfs/dbraw/zinc/74/11/12/857741112.db2.gz	OADINHIBJUNQSP-INIZCTEOSA-N	1	0	356.470	1.981	20	30		FDEDRO
CC[C@@H]1CCCN(C(=O)C(=O)N(c2ccc(C#N)cn2)[C@@H]2CCC[NH2+]C2)C1	ZINC000910858630	857787903	/nfs/dbraw/zinc/78/79/03/857787903.db2.gz	QFEACWZCAADKRE-NVXWUHKLSA-N	1	0	369.469	1.687	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CCC(OC(C)(C)C)CC1)C1CC[NH+](C)CC1	ZINC000910885216	857835462	/nfs/dbraw/zinc/83/54/62/857835462.db2.gz	IGTDTCGGYYHNAA-UHFFFAOYSA-N	1	0	363.502	1.349	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CC[C@@H](Cc2ccncc2)C1)C1CC[NH+](C)CC1	ZINC000910887078	857841269	/nfs/dbraw/zinc/84/12/69/857841269.db2.gz	YZAYCUVRKKFRAN-SFHVURJKSA-N	1	0	368.481	1.029	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)C1	ZINC000668852605	857958614	/nfs/dbraw/zinc/95/86/14/857958614.db2.gz	CLFLVSWKZWDFCA-INIZCTEOSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccncc1	ZINC000911001744	858018908	/nfs/dbraw/zinc/01/89/08/858018908.db2.gz	OABMZLPQTNOQCC-KZNAEPCWSA-N	1	0	350.422	1.556	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCN(C)C(=O)[C@H]1C	ZINC000669335570	863005928	/nfs/dbraw/zinc/00/59/28/863005928.db2.gz	NRSHCLUUUZVDLQ-OAGGEKHMSA-N	1	0	374.489	1.057	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21	ZINC000911330247	858471369	/nfs/dbraw/zinc/47/13/69/858471369.db2.gz	JMCOIRDAWAJUME-JXFKEZNVSA-N	1	0	373.453	1.067	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2CCCC[C@H]2C2(C[NH3+])CCC2)cc1	ZINC000911314395	858483031	/nfs/dbraw/zinc/48/30/31/858483031.db2.gz	XYXAFAVCJFUPRY-SFHVURJKSA-N	1	0	368.481	1.879	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000911701411	858932448	/nfs/dbraw/zinc/93/24/48/858932448.db2.gz	AVUBGYJDQMDJCS-GOSISDBHSA-N	1	0	368.481	1.388	20	30		FDEDRO
Cc1onc(C2CC2)c1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O	ZINC001083648543	859103383	/nfs/dbraw/zinc/10/33/83/859103383.db2.gz	FUCWOEZMKYBELJ-SJORKVTESA-N	1	0	366.421	1.707	20	30		FDEDRO
CC[C@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)c1ccccc1	ZINC001106866233	881401938	/nfs/dbraw/zinc/40/19/38/881401938.db2.gz	BITFOIVJTYUWAH-ZHALLVOQSA-N	1	0	370.497	1.894	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC([NH+]3CCCC3)C2)s1	ZINC000912325915	859612491	/nfs/dbraw/zinc/61/24/91/859612491.db2.gz	PCQBRFVSCBKVKG-UHFFFAOYSA-N	1	0	369.512	1.062	20	30		FDEDRO
N#Cc1cccc(CN2C[C@@H](NC(=O)c3nccc4occc43)[C@@H](O)C2)c1	ZINC001083660491	860177173	/nfs/dbraw/zinc/17/71/73/860177173.db2.gz	ATTVFXAAGVLTDE-SJORKVTESA-N	1	0	362.389	1.675	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)COCC)C[C@H]1C	ZINC001105792832	863215772	/nfs/dbraw/zinc/21/57/72/863215772.db2.gz	WNYMXVCOZQVHIN-BRWVUGGUSA-N	1	0	353.507	1.520	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(CC)CC)C[C@H]1C	ZINC001105843022	863449201	/nfs/dbraw/zinc/44/92/01/863449201.db2.gz	UCWFKXFGBHQNCO-UKRRQHHQSA-N	1	0	352.479	1.119	20	30		FDEDRO
CCN(CC)C(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C	ZINC001105849810	863484452	/nfs/dbraw/zinc/48/44/52/863484452.db2.gz	CQLLQWRPEGACFG-QLFBSQMISA-N	1	0	354.520	1.184	20	30		FDEDRO
CC(C)CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C	ZINC001105849765	863484544	/nfs/dbraw/zinc/48/45/44/863484544.db2.gz	AGQRPNJPYIKVCK-OWCLPIDISA-N	1	0	368.547	1.478	20	30		FDEDRO
CC(C)N(C)C(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C	ZINC001105848512	863495787	/nfs/dbraw/zinc/49/57/87/863495787.db2.gz	ZWKVGQUDGPJETQ-QLFBSQMISA-N	1	0	354.520	1.183	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@H]1C	ZINC001105867415	863554682	/nfs/dbraw/zinc/55/46/82/863554682.db2.gz	HXOTUSFKCJXQAJ-ZWNOBZJWSA-N	1	0	358.280	1.105	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccnn2C(F)F)C[C@H]1C(F)(F)F	ZINC001112108633	863629260	/nfs/dbraw/zinc/62/92/60/863629260.db2.gz	IORJDBHMECKWEO-NXEZZACHSA-N	1	0	350.291	1.894	20	30		FDEDRO
Cc1cc(NC[C@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C#N)cn1	ZINC001060317454	863810925	/nfs/dbraw/zinc/81/09/25/863810925.db2.gz	DYYCVWQFXFNQDA-KBAYOESNSA-N	1	0	355.486	1.817	20	30		FDEDRO
C#CCNS(=O)(=O)N1CC[NH+]([C@@H](C)c2cccc3ccccc32)CC1	ZINC000761036085	863841963	/nfs/dbraw/zinc/84/19/63/863841963.db2.gz	DFATUEJGQNWDLO-INIZCTEOSA-N	1	0	357.479	1.986	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CCCc2nc(C)no2)[C@H](C)C1	ZINC001105914678	863961601	/nfs/dbraw/zinc/96/16/01/863961601.db2.gz	AVHOJCURLQOITE-BFYDXBDKSA-N	1	0	364.490	1.976	20	30		FDEDRO
CC[NH+]=C(NCCNC(=O)c1ccc(O)cc1)N1CC[C@@]2(CCOC2)C1	ZINC000157978061	863964611	/nfs/dbraw/zinc/96/46/11/863964611.db2.gz	YNBOQZADMUVOKO-LJQANCHMSA-N	1	0	360.458	1.200	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CC)[C@H](C)C1	ZINC001105915223	863973933	/nfs/dbraw/zinc/97/39/33/863973933.db2.gz	XEKUDSZFPLOXMV-BRWVUGGUSA-N	1	0	353.507	1.520	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1	ZINC000761059991	863980405	/nfs/dbraw/zinc/98/04/05/863980405.db2.gz	KMZWHWYQGGSXIL-ZDUSSCGKSA-N	1	0	362.405	1.513	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COC2CCOCC2)[C@H](C)C1	ZINC001105923026	864028725	/nfs/dbraw/zinc/02/87/25/864028725.db2.gz	JGCJMRMFDSMDTG-BRWVUGGUSA-N	1	0	354.491	1.193	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)c2ccccc2F)[C@H](C)C1	ZINC001105938743	864133774	/nfs/dbraw/zinc/13/37/74/864133774.db2.gz	XWWRYDQPFOZQAU-RKVPGOIHSA-N	1	0	350.434	1.746	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)[C@H](C)C1	ZINC001105941640	864150648	/nfs/dbraw/zinc/15/06/48/864150648.db2.gz	GEHGHJHXZAEFDV-BZUAXINKSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2cn(C)nc2C(F)F)[C@H](C)C1	ZINC001105941930	864153702	/nfs/dbraw/zinc/15/37/02/864153702.db2.gz	QQFOQXAVTWKWHC-CHWSQXEVSA-N	1	0	356.417	1.744	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2nc([C@@H](C)OCC)no2)[C@H](C)C1	ZINC001105942072	864157280	/nfs/dbraw/zinc/15/72/80/864157280.db2.gz	XDALLUGCQIIIKG-RBSFLKMASA-N	1	0	366.462	1.554	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]CCOCC(F)(F)C(F)F)[C@H](C)C1	ZINC001105945549	864185693	/nfs/dbraw/zinc/18/56/93/864185693.db2.gz	AAEWSPDSEWAUFW-QJPTWQEYSA-N	1	0	353.360	1.747	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001105971874	864279106	/nfs/dbraw/zinc/27/91/06/864279106.db2.gz	UHOMKJFZSSOBJS-NVXWUHKLSA-N	1	0	354.429	1.827	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC2CC2)[C@H](C)C1	ZINC001105985185	864345832	/nfs/dbraw/zinc/34/58/32/864345832.db2.gz	CPHRBWMOJMUIAC-SJLPKXTDSA-N	1	0	365.518	1.522	20	30		FDEDRO
CC(C)[C@@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC001105985028	864346689	/nfs/dbraw/zinc/34/66/89/864346689.db2.gz	AUNRVAKZTAZPMN-IIAWOOMASA-N	1	0	359.474	1.345	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1C	ZINC001106005551	864568960	/nfs/dbraw/zinc/56/89/60/864568960.db2.gz	VLTKZMVVMWYWQB-RAIGVLPGSA-N	1	0	358.280	1.105	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]C[C@@H](O)Cc1ccccc1	ZINC001106015988	864656394	/nfs/dbraw/zinc/65/63/94/864656394.db2.gz	OGQLQAJMUXIBQF-SUMDDJOVSA-N	1	0	366.465	1.788	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C)C(=O)N1CCCCC1	ZINC001106020337	864717626	/nfs/dbraw/zinc/71/76/26/864717626.db2.gz	BTIKPAXHCPDWJG-BZUAXINKSA-N	1	0	371.485	1.585	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]CC(=O)NC1CCCCC1	ZINC001106024127	864782630	/nfs/dbraw/zinc/78/26/30/864782630.db2.gz	AIGHRMHOWVKWJI-GDBMZVCRSA-N	1	0	371.485	1.633	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)Nc2ncccn2)[C@H](C)C1	ZINC001106025992	864815368	/nfs/dbraw/zinc/81/53/68/864815368.db2.gz	QERVSBUKVFWAOX-IXDOHACOSA-N	1	0	371.485	1.681	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088862936	864853384	/nfs/dbraw/zinc/85/33/84/864853384.db2.gz	BHENSDFSTGXRMU-ZSGPHXLJSA-N	1	0	354.454	1.539	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](Cc2ccccc2)OC)C[C@H]1OC	ZINC001212187050	864869360	/nfs/dbraw/zinc/86/93/60/864869360.db2.gz	IWGKYUYTNMDUNS-XUVXKRRUSA-N	1	0	358.482	1.863	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)[C@H](C)C1	ZINC001106029176	864875753	/nfs/dbraw/zinc/87/57/53/864875753.db2.gz	JZBKGCJTVLQFEC-RHSMWYFYSA-N	1	0	370.428	1.021	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)[C@H](C)C1	ZINC001106029483	864883529	/nfs/dbraw/zinc/88/35/29/864883529.db2.gz	UIVHOGVGMDMCLV-RHSMWYFYSA-N	1	0	370.428	1.021	20	30		FDEDRO
C[C@@H](NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C)C1CC1	ZINC001106029527	864884469	/nfs/dbraw/zinc/88/44/69/864884469.db2.gz	WEWBLHJXASQUOK-XJKCOSOUSA-N	1	0	357.458	1.099	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)CCCC(=O)NC)C[C@H]1C	ZINC001106040743	864947895	/nfs/dbraw/zinc/94/78/95/864947895.db2.gz	SASFTVALOREYNF-DGCLKSJQSA-N	1	0	360.296	1.495	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc(C3CCC3)c2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106874403	881820117	/nfs/dbraw/zinc/82/01/17/881820117.db2.gz	GPJHTSJGKULYEH-DNVCBOLYSA-N	1	0	368.481	1.892	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2coc(C)n2)C[C@H]1C	ZINC001106045887	864981577	/nfs/dbraw/zinc/98/15/77/864981577.db2.gz	OPWSTIXVHDNEIW-GDBMZVCRSA-N	1	0	360.458	1.481	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(C(N)=O)c2)[C@@H]1C	ZINC001088868063	865004624	/nfs/dbraw/zinc/00/46/24/865004624.db2.gz	IIOZMOTZQGADJE-ZSGPHXLJSA-N	1	0	357.454	1.456	20	30		FDEDRO
COc1ccccc1CNC(=[NH2+])NCc1ccc(Cn2cncn2)cc1	ZINC000170909296	865014635	/nfs/dbraw/zinc/01/46/35/865014635.db2.gz	ZWPVOKZJKZMULU-UHFFFAOYSA-N	1	0	350.426	1.940	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cnnc(C)c2)C[C@H]1C	ZINC001106053354	865030008	/nfs/dbraw/zinc/03/00/08/865030008.db2.gz	ULFXXVHENOLYAT-CRAIPNDOSA-N	1	0	371.485	1.283	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C2CC2)[NH+](C)C)cc1	ZINC001004873084	881829696	/nfs/dbraw/zinc/82/96/96/881829696.db2.gz	IAAYPYHQPGUSLW-ZRNYENFQSA-N	1	0	365.477	1.870	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nccn2C(F)F)[C@H](C)C1	ZINC001106059597	865070390	/nfs/dbraw/zinc/07/03/90/865070390.db2.gz	YFXMCJBCKRTAIF-XNJGSVPQSA-N	1	0	356.417	1.789	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C2=NN(c3ccccc3)[C@H](C(C)=O)C2)CC1	ZINC000171716649	865315600	/nfs/dbraw/zinc/31/56/00/865315600.db2.gz	SXXZGGRDOSNZON-IBGZPJMESA-N	1	0	354.454	1.977	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@@H]1O	ZINC001083848596	881864325	/nfs/dbraw/zinc/86/43/25/881864325.db2.gz	MMIXYDCHKHDTAO-MHORFTMASA-N	1	0	350.503	1.955	20	30		FDEDRO
CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(C#N)c[nH]1)[NH+]1CCCC1	ZINC001004905359	881868911	/nfs/dbraw/zinc/86/89/11/881868911.db2.gz	DWXGBQNPQBKTKC-INMHGKMJSA-N	1	0	369.469	1.622	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)cc1	ZINC000763395533	881887741	/nfs/dbraw/zinc/88/77/41/881887741.db2.gz	FZEDJOHAECVXKX-HNNXBMFYSA-N	1	0	355.360	1.982	20	30		FDEDRO
N#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCNC(=O)C3CC3)C2)[nH]1	ZINC001112305578	865727043	/nfs/dbraw/zinc/72/70/43/865727043.db2.gz	AYZBAAPDOZZVSB-YWZLYKJASA-N	1	0	369.469	1.244	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+](CCn2cccn2)[C@@H]1C	ZINC001088969400	865792919	/nfs/dbraw/zinc/79/29/19/865792919.db2.gz	VRSWBDQVIMIEHX-CVEARBPZSA-N	1	0	355.442	1.736	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCCN(C)C2=O)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088976613	865843489	/nfs/dbraw/zinc/84/34/89/865843489.db2.gz	GULRTVSEOFWRLG-MNEFBYGVSA-N	1	0	368.481	1.896	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3cccc(C)c3)C[C@@H]2O)nn1	ZINC001083849271	881914512	/nfs/dbraw/zinc/91/45/12/881914512.db2.gz	WPFYIRBCVLZYLS-WDYCEAGBSA-N	1	0	369.469	1.699	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)Cc2cncn2C)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088981533	865908127	/nfs/dbraw/zinc/90/81/27/865908127.db2.gz	ZQKMAOSRDJPBSV-BEFAXECRSA-N	1	0	367.453	1.644	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3c[nH]c4cccnc43)[C@H]2C)C1=O	ZINC001088982524	865909172	/nfs/dbraw/zinc/90/91/72/865909172.db2.gz	CIALHULEYNASHN-UKPHBRMFSA-N	1	0	367.453	1.542	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C[C@@H]3CCNC(=O)CC3)[C@@H]2C)nc1	ZINC001088990846	865951045	/nfs/dbraw/zinc/95/10/45/865951045.db2.gz	SILOAIPVUNVTML-PVAVHDDUSA-N	1	0	354.454	1.172	20	30		FDEDRO
Cc1csc(=O)n1CC(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H]1C	ZINC001089032774	866181810	/nfs/dbraw/zinc/18/18/10/866181810.db2.gz	GQPPISMNEPLGHI-PBHICJAKSA-N	1	0	370.478	1.869	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3cc(C4CC4)no3)[C@@H]2C)CC1	ZINC001089059614	866386485	/nfs/dbraw/zinc/38/64/85/866386485.db2.gz	UENOKJYFQFTTDV-BEFAXECRSA-N	1	0	370.497	1.976	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000992026884	867224835	/nfs/dbraw/zinc/22/48/35/867224835.db2.gz	IXFOXFNKSAFRJD-IRXDYDNUSA-N	1	0	354.410	1.256	20	30		FDEDRO
Cc1cc(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)ncc1C#N	ZINC000457509649	867519718	/nfs/dbraw/zinc/51/97/18/867519718.db2.gz	QMUJHLSMWVQGGE-UHFFFAOYSA-N	1	0	350.426	1.339	20	30		FDEDRO
N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1	ZINC000282493583	882116592	/nfs/dbraw/zinc/11/65/92/882116592.db2.gz	WJTOCIZNLLRVGA-PMACEKPBSA-N	1	0	366.465	1.811	20	30		FDEDRO
C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC[C@@H]2C1	ZINC000946782164	882137491	/nfs/dbraw/zinc/13/74/91/882137491.db2.gz	UHXJFMSONQHZOF-RQJABVFESA-N	1	0	370.291	1.187	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+][C@@H](C(N)=O)c1ccc(F)cc1	ZINC001106101228	868101881	/nfs/dbraw/zinc/10/18/81/868101881.db2.gz	OGETWLUZGAOYQG-VVFCZOMOSA-N	1	0	357.429	1.450	20	30		FDEDRO
C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[C@H](C(=O)N4CCCC4)O3)CCC[C@@H]12	ZINC000992167953	868118475	/nfs/dbraw/zinc/11/84/75/868118475.db2.gz	LVOHAKOPVCNMAN-TVKQPGBESA-N	1	0	361.486	1.456	20	30		FDEDRO
Cc1nn(C)c(C)c1NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C	ZINC001106105980	868163785	/nfs/dbraw/zinc/16/37/85/868163785.db2.gz	BYQMMIRYGIHDFG-CXAGYDPISA-N	1	0	371.485	1.073	20	30		FDEDRO
N#Cc1cc(F)cc(C2(C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)CC2)c1	ZINC000509197489	882167209	/nfs/dbraw/zinc/16/72/09/882167209.db2.gz	RMAWJWPSFHINTD-HNNXBMFYSA-N	1	0	372.444	1.433	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H](C[NH2+]CC#Cc3ccccc3)[C@H](C)C2)[nH]1	ZINC001106108055	868265515	/nfs/dbraw/zinc/26/55/15/868265515.db2.gz	NWXWKRDSFPCULT-CRAIPNDOSA-N	1	0	351.454	1.391	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C[NH2+]CC(=O)N1CCC[C@H](C)C1	ZINC001106109651	868300304	/nfs/dbraw/zinc/30/03/04/868300304.db2.gz	OXSUKSANOZLIQP-RCCFBDPRSA-N	1	0	361.530	1.979	20	30		FDEDRO
C=CC[N@@H+](CCN1CCCOCC1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000463075079	868334558	/nfs/dbraw/zinc/33/45/58/868334558.db2.gz	WJTLXWDXTBYRSR-KRWDZBQOSA-N	1	0	356.474	1.934	20	30		FDEDRO
C=CC[N@@H+](CCN1CCCOCC1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000463075080	868335145	/nfs/dbraw/zinc/33/51/45/868335145.db2.gz	WJTLXWDXTBYRSR-QGZVFWFLSA-N	1	0	356.474	1.934	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OCC#N)cc2)[C@H](C)C1	ZINC001106111694	868397050	/nfs/dbraw/zinc/39/70/50/868397050.db2.gz	PLJLEGGSUGMTEG-ZIFCJYIRSA-N	1	0	369.465	1.811	20	30		FDEDRO
C=CCN1CC[C@H](N2CCCN(Cc3nc([C@@H](C)OC)no3)CC2)C1=O	ZINC000282096947	868474170	/nfs/dbraw/zinc/47/41/70/868474170.db2.gz	VSXKKAQGFABDON-CABCVRRESA-N	1	0	363.462	1.072	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2nnc(C)s2)[C@H](C)C1	ZINC001106114575	868498140	/nfs/dbraw/zinc/49/81/40/868498140.db2.gz	CXRCYDZZAOZJKE-VNHYZAJKSA-N	1	0	350.488	1.632	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1cnc(C)nc1)CC2	ZINC000992239578	868548193	/nfs/dbraw/zinc/54/81/93/868548193.db2.gz	JTYXGOWBCPCLKQ-LXZJYRNTSA-N	1	0	356.470	1.989	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@H]1[N@H+](CCN1CCCC1=O)CC2	ZINC000992242721	868561348	/nfs/dbraw/zinc/56/13/48/868561348.db2.gz	SHJBOXFPGFYONN-AXVVYFOYSA-N	1	0	361.486	1.313	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2nc(C(C)C)ns2)[C@H](C)C1	ZINC001106117186	868587124	/nfs/dbraw/zinc/58/71/24/868587124.db2.gz	JIUWMMPZNZHTRV-HUUCEWRRSA-N	1	0	364.515	1.886	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nc(C(C)C)oc2C)C[C@H]1C	ZINC001106124176	868908738	/nfs/dbraw/zinc/90/87/38/868908738.db2.gz	IGIXLVDTQHEHIV-UKRRQHHQSA-N	1	0	360.458	1.154	20	30		FDEDRO
Cc1cc(C(=O)N2CCC(O)(C[NH+](C)C)CC2)nn1-c1cccc(C#N)c1	ZINC000913678559	869380774	/nfs/dbraw/zinc/38/07/74/869380774.db2.gz	NUDPELZOUPXDTD-UHFFFAOYSA-N	1	0	367.453	1.581	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccccc2CN2CCOCC2)CC1	ZINC000913926530	870028183	/nfs/dbraw/zinc/02/81/83/870028183.db2.gz	FTTFGABWAKOESG-UHFFFAOYSA-N	1	0	370.497	1.416	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106152347	871432836	/nfs/dbraw/zinc/43/28/36/871432836.db2.gz	QNZHSZMEFGOSJW-OCQZMCQHSA-N	1	0	356.441	1.898	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C)c(OC)c(C)c2)C[C@H]1C	ZINC001106156671	871462342	/nfs/dbraw/zinc/46/23/42/871462342.db2.gz	JRLGFKXFTJGZEC-SJLPKXTDSA-N	1	0	371.481	1.359	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccnc(N(C)C)c2)C1	ZINC001033431560	882512722	/nfs/dbraw/zinc/51/27/22/882512722.db2.gz	FPHMDJCUAFQFIW-KURKYZTESA-N	1	0	358.486	1.771	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Oc2ccccc2F)C[C@H]1C	ZINC001106161131	871504675	/nfs/dbraw/zinc/50/46/75/871504675.db2.gz	QMWAMQFQNZOEEP-IXDOHACOSA-N	1	0	362.445	1.927	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2CCCN(C(=O)OC)C2)CC1	ZINC000922048389	871525578	/nfs/dbraw/zinc/52/55/78/871525578.db2.gz	GCGSZUBATMXFTQ-GJZGRUSLSA-N	1	0	350.463	1.250	20	30		FDEDRO
N#CCOc1ccc(C[NH+]2CCC(NC(=O)[C@]34C[C@H]3COC4)CC2)cc1	ZINC001002869713	871535209	/nfs/dbraw/zinc/53/52/09/871535209.db2.gz	UTDGWDUBRSNMFO-JXFKEZNVSA-N	1	0	355.438	1.706	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)NC(=O)c2ccoc2)C[C@H]1C	ZINC001106169612	871558321	/nfs/dbraw/zinc/55/83/21/871558321.db2.gz	FZJFHDWACXSCIW-UXIGCNINSA-N	1	0	353.850	1.835	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)NC(=O)C3)C[C@H]1C	ZINC001106171344	871576026	/nfs/dbraw/zinc/57/60/26/871576026.db2.gz	UIMRQAWMSUZOLZ-RHSMWYFYSA-N	1	0	355.438	1.129	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000672781952	871707362	/nfs/dbraw/zinc/70/73/62/871707362.db2.gz	UFSQKSZGVJLYMO-FUHWJXTLSA-N	1	0	364.534	1.474	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]2C)nc1	ZINC000994391284	882547375	/nfs/dbraw/zinc/54/73/75/882547375.db2.gz	UTCZODKZEBUVKU-BJZITVGISA-N	1	0	368.481	1.227	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)[C@H](C)C4CC4)C[C@]3(C)C2)CC1	ZINC000992741700	871781823	/nfs/dbraw/zinc/78/18/23/871781823.db2.gz	CKTCBCDQEHRZDL-GTCCEBARSA-N	1	0	371.525	1.685	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)/C=C/C4CC4)C[C@]3(C)C2)CC1	ZINC000992750958	871863577	/nfs/dbraw/zinc/86/35/77/871863577.db2.gz	YILWQXJLXMYWFR-IUGCZABJSA-N	1	0	369.509	1.605	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1CN(C)C(=O)C1CC[NH+](C)CC1	ZINC001003021690	872311737	/nfs/dbraw/zinc/31/17/37/872311737.db2.gz	QOZQFOAYOMXJIE-KSZLIROESA-N	1	0	363.502	1.369	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2cccnc2-n2ccnc2C)CC1	ZINC000914323752	872364663	/nfs/dbraw/zinc/36/46/63/872364663.db2.gz	YXAJWSIIFLJMMV-UHFFFAOYSA-N	1	0	352.442	1.473	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cnc3[nH]c(=O)[nH]c3c2)[C@H](OC)C1	ZINC001212493908	872428641	/nfs/dbraw/zinc/42/86/41/872428641.db2.gz	JQXGNXHUCFJAJU-NILFDRSVSA-N	1	0	359.430	1.447	20	30		FDEDRO
C[NH+](C)CCOCCNC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1	ZINC000922145177	872447917	/nfs/dbraw/zinc/44/79/17/872447917.db2.gz	PHBHIAORJPKURN-INIZCTEOSA-N	1	0	360.462	1.117	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]2C)cc1	ZINC000994404627	882615241	/nfs/dbraw/zinc/61/52/41/882615241.db2.gz	KSFRGIABSNWEPR-LZQZEXGQSA-N	1	0	355.482	1.832	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2csc(NC(C)=O)n2)[C@H](OC)C1	ZINC001212502507	872703619	/nfs/dbraw/zinc/70/36/19/872703619.db2.gz	GFSJSGWFEXZBOE-TZMCWYRMSA-N	1	0	352.460	1.497	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCC[C@@H](C)O)C2)nn1	ZINC001112541965	873082782	/nfs/dbraw/zinc/08/27/82/873082782.db2.gz	YESRFRTVFKVAIT-GJYPPUQNSA-N	1	0	361.490	1.457	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2c3c(nn2C)CCCC3)C[C@H]1C	ZINC001106185621	873176508	/nfs/dbraw/zinc/17/65/08/873176508.db2.gz	SKMSYUZLIBEFGO-HZPDHXFCSA-N	1	0	358.486	1.246	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](OC)C2CC2)CC1	ZINC001003366937	873221835	/nfs/dbraw/zinc/22/18/35/873221835.db2.gz	ZDHRSLHGLGZWIJ-YRXWBPOGSA-N	1	0	373.497	1.005	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc3occc3[nH]2)C[C@H]1C	ZINC001106194213	873272050	/nfs/dbraw/zinc/27/20/50/873272050.db2.gz	CAPRFXFXFIIEFN-MGPQQGTHSA-N	1	0	358.442	1.749	20	30		FDEDRO
C[C@H]1CC2(CN1C(=O)C(=O)N(C)Cc1cccc(C#N)c1)CC[NH2+]CC2	ZINC000424491752	873325489	/nfs/dbraw/zinc/32/54/89/873325489.db2.gz	FNGFSQJYWKXANZ-HNNXBMFYSA-N	1	0	354.454	1.507	20	30		FDEDRO
C[C@@]12CN(C(=O)C#CC3CC3)C[C@@H]1CN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2	ZINC000992960018	873388195	/nfs/dbraw/zinc/38/81/95/873388195.db2.gz	OBLWCKQDDYAHST-OPYAIIAOSA-N	1	0	355.482	1.049	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](C[NH2+]Cc2nonc2C)[C@H](C)C1)OCC	ZINC001106197458	873467832	/nfs/dbraw/zinc/46/78/32/873467832.db2.gz	YDIXTXPLTOPTQT-UNEWFSDZSA-N	1	0	350.463	1.933	20	30		FDEDRO
Cc1cc(NCC2(CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c(C#N)cn1	ZINC001090009206	873469456	/nfs/dbraw/zinc/46/94/56/873469456.db2.gz	XMXTYZLDCZITFK-NVXWUHKLSA-N	1	0	355.486	1.722	20	30		FDEDRO
CNC(=O)CC1CCN(C(NCCc2cn3c(n2)CCCC3)=[NH+]C)CC1	ZINC000153037135	873474726	/nfs/dbraw/zinc/47/47/26/873474726.db2.gz	CCSPCFSKCOBFKF-UHFFFAOYSA-N	1	0	360.506	1.185	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)CCNC(=O)c2ccncc2)C[C@H]1C	ZINC001106201094	873654967	/nfs/dbraw/zinc/65/49/67/873654967.db2.gz	UHLUBXXSXUYIFC-SJLPKXTDSA-N	1	0	358.486	1.852	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C[C@@H](C)N1CC#N	ZINC000922203775	873712708	/nfs/dbraw/zinc/71/27/08/873712708.db2.gz	WKBBGTHXDNWEMT-BRWVUGGUSA-N	1	0	351.495	1.115	20	30		FDEDRO
C[NH+](C)[C@H](C(=O)N1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@]2(C)C1)C1CC1	ZINC000993022137	873718678	/nfs/dbraw/zinc/71/86/78/873718678.db2.gz	CEJAJCZZJFYQMR-SYNHAJSKSA-N	1	0	369.469	1.147	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+]([C@@H]2CCN(C3CCC3)C2=O)CC1	ZINC001003651373	873923973	/nfs/dbraw/zinc/92/39/73/873923973.db2.gz	CNQXSDLPWMLFEX-KURKYZTESA-N	1	0	361.486	1.312	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3nonc3C)[C@H](C)C2)CCOCC1	ZINC001106232592	874035892	/nfs/dbraw/zinc/03/58/92/874035892.db2.gz	DTZRAPSXSKCAQW-GDBMZVCRSA-N	1	0	360.458	1.382	20	30		FDEDRO
Cc1nn(C)c(N2CC[NH+](CCCC3(C#N)CCOCC3)CC2)c1C#N	ZINC000499709345	874043104	/nfs/dbraw/zinc/04/31/04/874043104.db2.gz	RXEIGUVAEJKNFH-UHFFFAOYSA-N	1	0	356.474	1.823	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3nnc4n3CCCC4)[C@H](C)C2)CCC1	ZINC001106236203	874061649	/nfs/dbraw/zinc/06/16/49/874061649.db2.gz	FXYYPVRGUQEQFM-IAGOWNOFSA-N	1	0	369.513	1.992	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]CCCOCC)[C@H](C)C2)CCOCC1	ZINC001106236291	874062273	/nfs/dbraw/zinc/06/22/73/874062273.db2.gz	JEEIMYXNRLRPNV-QZTJIDSGSA-N	1	0	350.503	1.917	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]CCCS(=O)(=O)CC)[C@H](C)C2)CCC1	ZINC001106236538	874062744	/nfs/dbraw/zinc/06/27/44/874062744.db2.gz	TZAHTLGDFAINBB-IAGOWNOFSA-N	1	0	368.543	1.689	20	30		FDEDRO
C[NH+]1CCN(c2ccc(NC(=O)C#Cc3ccc4c(c3)OCO4)cn2)CC1	ZINC000761707394	874064292	/nfs/dbraw/zinc/06/42/92/874064292.db2.gz	ILYMUOCMNDSNNN-UHFFFAOYSA-N	1	0	364.405	1.552	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2conc2C(C)C)C[C@H]1C	ZINC001106242386	874074264	/nfs/dbraw/zinc/07/42/64/874074264.db2.gz	HVCZWWWNJYSZMO-QLFBSQMISA-N	1	0	360.458	1.234	20	30		FDEDRO
C#Cc1cncc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC[NH+](C)CC2)C3)c1	ZINC001003745300	874151832	/nfs/dbraw/zinc/15/18/32/874151832.db2.gz	IARDXGXXEUMMQL-QRVBRYPASA-N	1	0	366.465	1.266	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]CCNC(=O)C2CC2)[C@H](C)C1	ZINC001106251916	874152531	/nfs/dbraw/zinc/15/25/31/874152531.db2.gz	AONRHHHKKWGSCX-NVXWUHKLSA-N	1	0	358.486	1.498	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@]2(C)C1	ZINC000993137083	874716937	/nfs/dbraw/zinc/71/69/37/874716937.db2.gz	RTGYHNQOEMWHPL-KLHJMIIUSA-N	1	0	368.481	1.828	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)COCc2cc[nH]c(=O)c2)C[C@H]1C	ZINC001106318954	874769860	/nfs/dbraw/zinc/76/98/60/874769860.db2.gz	PYLRJVWQYXAMJU-IUODEOHRSA-N	1	0	353.850	1.740	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)CCOC)C[C@H]1C	ZINC001106329679	874800124	/nfs/dbraw/zinc/80/01/24/874800124.db2.gz	GYTFAJWMJFSPRW-BZUAXINKSA-N	1	0	360.520	1.086	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3nc(C)[nH]c3C2)C[C@H]1C	ZINC001106343212	874853097	/nfs/dbraw/zinc/85/30/97/874853097.db2.gz	UWSJPNYARBQSCZ-DJIMGWMZSA-N	1	0	358.486	1.157	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106356783	874891699	/nfs/dbraw/zinc/89/16/99/874891699.db2.gz	NGHLVWZEHXBBJW-KBAYOESNSA-N	1	0	371.456	1.388	20	30		FDEDRO
N#Cc1ncn(CC(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)n1	ZINC000761983381	874924064	/nfs/dbraw/zinc/92/40/64/874924064.db2.gz	QZSODACJLWERNF-CQSZACIVSA-N	1	0	374.832	1.290	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cc(OC)nc(OC)c2)C[C@H]1C	ZINC001106375458	874965843	/nfs/dbraw/zinc/96/58/43/874965843.db2.gz	DIGBBLPUDXGWHF-GDBMZVCRSA-N	1	0	363.458	1.599	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2noc3ccccc23)C[C@H]1C	ZINC001106391741	875058530	/nfs/dbraw/zinc/05/85/30/875058530.db2.gz	CRVJBEVJYMLJIU-HUUCEWRRSA-N	1	0	370.453	1.357	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c(C)[nH]c3ccccc32)C[C@H]1C	ZINC001106396267	875066878	/nfs/dbraw/zinc/06/68/78/875066878.db2.gz	JNOKMKKYYKYVLP-GDBMZVCRSA-N	1	0	366.465	1.523	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COc3ccccc3C2)C[C@H]1C	ZINC001106396338	875070538	/nfs/dbraw/zinc/07/05/38/875070538.db2.gz	MSBKAACVTCNJLW-BPQIPLTHSA-N	1	0	371.481	1.224	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(Cl)n(C)n2)C[C@H]1C	ZINC001106403622	875132489	/nfs/dbraw/zinc/13/24/89/875132489.db2.gz	HUBGOSANYGQUKL-JHJVBQTASA-N	1	0	367.881	1.062	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2c(OC)ccnc2OC)C[C@H]1C	ZINC001106413735	875164360	/nfs/dbraw/zinc/16/43/60/875164360.db2.gz	VPZSIOCBABCYAX-HUUCEWRRSA-N	1	0	363.458	1.599	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@]3(C)C2)C1	ZINC000993161633	875196028	/nfs/dbraw/zinc/19/60/28/875196028.db2.gz	YZJKPYKMCYKTSU-DKICVRJWSA-N	1	0	369.469	1.149	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc3nccn32)C[C@H]1C	ZINC001106419405	875203942	/nfs/dbraw/zinc/20/39/42/875203942.db2.gz	JPPXBOGVZMSXMX-BZUAXINKSA-N	1	0	369.469	1.323	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccc3n[nH]cc3c2)C[C@H]1C	ZINC001106417075	875211542	/nfs/dbraw/zinc/21/15/42/875211542.db2.gz	NAJWJWHIGIUTKC-RHSMWYFYSA-N	1	0	369.469	1.092	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C3(COC)CCC3)C[C@H]2C)C1=O	ZINC001106444315	875325916	/nfs/dbraw/zinc/32/59/16/875325916.db2.gz	WIRMCNHRCVGQSR-ZACQAIPSSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3c2O[C@@H](C)C3)C[C@H]1C	ZINC001106445091	875329302	/nfs/dbraw/zinc/32/93/02/875329302.db2.gz	VPXPPNGKTLNMML-HLLBOEOZSA-N	1	0	371.481	1.610	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3nncn3CC2)C[C@H]1C	ZINC001106450481	875358591	/nfs/dbraw/zinc/35/85/91/875358591.db2.gz	JLWCIYXNOHTPIT-IXDOHACOSA-N	1	0	361.490	1.117	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccnc3ccncc32)C[C@H]1C	ZINC001106479736	875605315	/nfs/dbraw/zinc/60/53/15/875605315.db2.gz	OROAJCIIAZBZSD-HZPDHXFCSA-N	1	0	352.438	1.577	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCc2c(C)nn(C)c2C)C[C@H]1C	ZINC001106493164	875674602	/nfs/dbraw/zinc/67/46/02/875674602.db2.gz	ZXTLYINBCUHPSO-CRAIPNDOSA-N	1	0	360.502	1.303	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)CCn2ccnc2)C[C@H]1C	ZINC001106499028	875716564	/nfs/dbraw/zinc/71/65/64/875716564.db2.gz	XTXVWRRWRCALLU-TZMCWYRMSA-N	1	0	355.280	1.866	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cn2nc3ccccn3c2=O)C[C@H]1C	ZINC001106507122	875759128	/nfs/dbraw/zinc/75/91/28/875759128.db2.gz	ZGICUFPQYWXHHJ-IXDOHACOSA-N	1	0	371.485	1.535	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@]3(C)C2)nc1	ZINC000993191779	875792497	/nfs/dbraw/zinc/79/24/97/875792497.db2.gz	OIECAIKJJYWDNX-YRISNDGFSA-N	1	0	368.481	1.324	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCOCC)[C@H](C)C1	ZINC001106517498	875812066	/nfs/dbraw/zinc/81/20/66/875812066.db2.gz	HMYWZXIVLYRDKK-HZPDHXFCSA-N	1	0	353.507	1.426	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC[C@H]2CCS(=O)(=O)C2)[C@H](C)C1	ZINC001106527445	875847488	/nfs/dbraw/zinc/84/74/88/875847488.db2.gz	UXKBUZCMIIFSLB-OWCLPIDISA-N	1	0	356.532	1.708	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C)[C@H](C)C1	ZINC001106530358	875862953	/nfs/dbraw/zinc/86/29/53/875862953.db2.gz	AWXGSGSXNFCSJQ-QLFBSQMISA-N	1	0	366.506	1.505	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cocc2C)C[C@H]1C	ZINC001106536486	875879779	/nfs/dbraw/zinc/87/97/79/875879779.db2.gz	BNORQGZNYQUCPF-GDBMZVCRSA-N	1	0	360.458	1.648	20	30		FDEDRO
C[C@@H]1CNC(NN=C2CCOC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)=[NH+]1	ZINC000762433207	875921601	/nfs/dbraw/zinc/92/16/01/875921601.db2.gz	BUKQEYRAEGEISH-VNHYZAJKSA-N	1	0	365.478	1.716	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3cnn(C)c3C2)C[C@H]1C	ZINC001106585243	876043927	/nfs/dbraw/zinc/04/39/27/876043927.db2.gz	WBLBLBHNARHHMB-JFIYKMOQSA-N	1	0	360.502	1.412	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2Cc3ccc(F)cc32)C[C@H]1C	ZINC001106585253	876045393	/nfs/dbraw/zinc/04/53/93/876045393.db2.gz	WTKOSSCREQEZOG-SIIHOXLZSA-N	1	0	359.445	1.452	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c(F)ccc(F)c2F)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106597775	876101230	/nfs/dbraw/zinc/10/12/30/876101230.db2.gz	MQRKIVOHRFOBCI-GHMZBOCLSA-N	1	0	368.359	1.041	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2cccc(C)c2)C[C@H]1C	ZINC001106607429	876151144	/nfs/dbraw/zinc/15/11/44/876151144.db2.gz	YHOFBARAUJWTLI-ZIFCJYIRSA-N	1	0	357.498	1.912	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NCCCOCC)[C@H](C)C1	ZINC001106612563	876173318	/nfs/dbraw/zinc/17/33/18/876173318.db2.gz	CKDCFYURGMCPJC-KZNAEPCWSA-N	1	0	367.534	1.958	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2cccnc2C)C[C@H]1C	ZINC001106663177	876440041	/nfs/dbraw/zinc/44/00/41/876440041.db2.gz	UUQGCMDJULFRLE-QGPMSJSTSA-N	1	0	358.486	1.307	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106669880	876503279	/nfs/dbraw/zinc/50/32/79/876503279.db2.gz	LKYIWSNFRPGYBM-RSPOEFSDSA-N	1	0	367.493	1.624	20	30		FDEDRO
C=C(C)Cn1c(COC)nnc1N1CCC(CC[NH+]2CCOCC2)CC1	ZINC000670200118	876510924	/nfs/dbraw/zinc/51/09/24/876510924.db2.gz	SOSPCJQAGFMYFA-UHFFFAOYSA-N	1	0	363.506	1.939	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106677813	876526841	/nfs/dbraw/zinc/52/68/41/876526841.db2.gz	IXOSAUQVNKIMQI-SJLPKXTDSA-N	1	0	351.454	1.473	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CNC(=O)c2cccnc2)C[C@H]1C	ZINC001106688788	876568856	/nfs/dbraw/zinc/56/88/56/876568856.db2.gz	UKSYHBOYGVVXFN-JFIYKMOQSA-N	1	0	358.486	1.850	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@H]2CCOC2)[C@H](C)C1	ZINC001106710752	876897662	/nfs/dbraw/zinc/89/76/62/876897662.db2.gz	VDHJKUNYKAUWDZ-BRWVUGGUSA-N	1	0	365.518	1.426	20	30		FDEDRO
CCN(CCOCCO)CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000282112035	876946139	/nfs/dbraw/zinc/94/61/39/876946139.db2.gz	QBAJUUVAZSGRQB-UHFFFAOYSA-N	1	0	357.414	1.013	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2CCS(=O)(=O)CC2)C[C@H]1C	ZINC001106720992	876960329	/nfs/dbraw/zinc/96/03/29/876960329.db2.gz	PPJXYCTYTBQRMB-HLLBOEOZSA-N	1	0	356.532	1.850	20	30		FDEDRO
COCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1	ZINC001106726165	876990117	/nfs/dbraw/zinc/99/01/17/876990117.db2.gz	DZJBFWYAKKNARU-QLFBSQMISA-N	1	0	365.499	1.855	20	30		FDEDRO
COCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1	ZINC001106726743	877007204	/nfs/dbraw/zinc/00/72/04/877007204.db2.gz	XVBCILXNWQEXEP-JTDSTZFVSA-N	1	0	359.470	1.794	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C(C)C)no2)C[C@H]1C	ZINC001106728985	877072388	/nfs/dbraw/zinc/07/23/88/877072388.db2.gz	BTCAOIWYGRXAKD-QLFBSQMISA-N	1	0	360.458	1.234	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1	ZINC001003772828	877187472	/nfs/dbraw/zinc/18/74/72/877187472.db2.gz	YZPKFTMRHFIUKL-JLSDUUJJSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@H](Cc2ccccc2)C(=O)OC)CC1	ZINC000917136393	883106212	/nfs/dbraw/zinc/10/62/12/883106212.db2.gz	CMNVFFWMKLTDSZ-KRWDZBQOSA-N	1	0	359.470	1.968	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](C[C@@H]2CCNC(=O)CC2)CC1	ZINC001003788809	877221744	/nfs/dbraw/zinc/22/17/44/877221744.db2.gz	POBCJXGHXQFSAT-IEZWGBDMSA-N	1	0	363.502	1.465	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1	ZINC000915704067	877253864	/nfs/dbraw/zinc/25/38/64/877253864.db2.gz	OBLQDRDGXNWKKW-INIZCTEOSA-N	1	0	365.499	1.304	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2nccs2)[C@H](C)C1	ZINC001106732973	877263553	/nfs/dbraw/zinc/26/35/53/877263553.db2.gz	CURKDGCRTMLNOJ-FVQBIDKESA-N	1	0	364.515	1.798	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]CCCCOC)[C@H](C)C1	ZINC001106734233	877281342	/nfs/dbraw/zinc/28/13/42/877281342.db2.gz	SPFXEEFVRYIWER-KBAYOESNSA-N	1	0	353.507	1.568	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2nncs2)[C@H](C)C1	ZINC001106734230	877281554	/nfs/dbraw/zinc/28/15/54/877281554.db2.gz	SLPCXWPXNKSWHE-YUELXQCFSA-N	1	0	365.503	1.193	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]CCOCC2CC2)[C@H](C)C1	ZINC001106734076	877287603	/nfs/dbraw/zinc/28/76/03/877287603.db2.gz	OMVKXZDRLLQLHB-LZQZEXGQSA-N	1	0	365.518	1.568	20	30		FDEDRO
CO[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1	ZINC001212414795	912223011	/nfs/dbraw/zinc/22/30/11/912223011.db2.gz	VDCXAUBKOUKDAB-RTBURBONSA-N	1	0	356.470	1.358	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001106741283	877400572	/nfs/dbraw/zinc/40/05/72/877400572.db2.gz	IGTRKEOKYYFGSF-CZUORRHYSA-N	1	0	360.433	1.360	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1	ZINC001003911029	877525493	/nfs/dbraw/zinc/52/54/93/877525493.db2.gz	POQBQTIRGGMTDX-YRXWBPOGSA-N	1	0	357.498	1.768	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CNC(=O)CC2CCCC2)C[C@H]1C	ZINC001106765206	877632447	/nfs/dbraw/zinc/63/24/47/877632447.db2.gz	SDDSCJGWCIAEAY-SJLPKXTDSA-N	1	0	365.518	1.570	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O	ZINC000922324880	877635298	/nfs/dbraw/zinc/63/52/98/877635298.db2.gz	VAGVRBJXZRRTNL-HEYXFABWSA-N	1	0	365.518	1.747	20	30		FDEDRO
Cc1onc(CC(=O)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)c1C#N	ZINC000499776945	877778148	/nfs/dbraw/zinc/77/81/48/877778148.db2.gz	FCSXZZYAOWIOGK-KRWDZBQOSA-N	1	0	367.409	1.486	20	30		FDEDRO
COC(=O)c1cc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c[nH]1	ZINC000272569443	877932096	/nfs/dbraw/zinc/93/20/96/877932096.db2.gz	OJFBDOLLHDBZNY-INIZCTEOSA-N	1	0	352.394	1.958	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3nc(C)c4cccnc43)[C@H]2C1	ZINC001083150535	912291196	/nfs/dbraw/zinc/29/11/96/912291196.db2.gz	BVJVOAFLEFLFQN-DLBZAZTESA-N	1	0	355.442	1.227	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)Cn3nc(C)c4cccnc43)[C@H]2C1	ZINC001083150586	912291815	/nfs/dbraw/zinc/29/18/15/912291815.db2.gz	FHSUTMCDXPHQSV-DLBZAZTESA-N	1	0	355.442	1.227	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)C[C@H]1C	ZINC001106799367	878009232	/nfs/dbraw/zinc/00/92/32/878009232.db2.gz	IFTFSHWVZJFBDD-NCXUSEDFSA-N	1	0	361.530	1.882	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3COc4cc(C)c(C)cc43)[C@H]2C1	ZINC001083152688	912305633	/nfs/dbraw/zinc/30/56/33/912305633.db2.gz	SEWSKZMNBBJNOA-CMKODMSKSA-N	1	0	354.450	1.714	20	30		FDEDRO
C[C@H](C#N)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2	ZINC001004154412	878224368	/nfs/dbraw/zinc/22/43/68/878224368.db2.gz	QFUSFXSBLXUOBH-PILAGYSTSA-N	1	0	354.454	1.770	20	30		FDEDRO
CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)Cc3ccc(OCC#N)cc3)CC2)CC1	ZINC000763230324	878258464	/nfs/dbraw/zinc/25/84/64/878258464.db2.gz	RYPZROSJFLBXOQ-KDURUIRLSA-N	1	0	370.497	1.806	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)COCc2nncn2C)C[C@H]1C	ZINC001106824901	878440816	/nfs/dbraw/zinc/44/08/16/878440816.db2.gz	OSEJVHFTNGFRMF-IAGOWNOFSA-N	1	0	365.522	1.986	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC(=O)N(c3ccccc3F)C2)CC1	ZINC000922561969	878539521	/nfs/dbraw/zinc/53/95/21/878539521.db2.gz	SYUKBSVZIGENSR-OAHLLOKOSA-N	1	0	358.417	1.328	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1	ZINC000673594765	878824810	/nfs/dbraw/zinc/82/48/10/878824810.db2.gz	IKTAGCWRLDFAEL-UHFFFAOYSA-N	1	0	373.497	1.738	20	30		FDEDRO
CCc1nc(C#N)cc(N2CCC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)n1	ZINC001061466406	878923651	/nfs/dbraw/zinc/92/36/51/878923651.db2.gz	MZEOAXXFVHZJFJ-IXDOHACOSA-N	1	0	370.501	1.726	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc4ccc(OC)cc4[nH]3)[C@H]2C1	ZINC001083159700	912408478	/nfs/dbraw/zinc/40/84/78/912408478.db2.gz	PFLKHDKIXQNDJA-RBUKOAKNSA-N	1	0	353.422	1.725	20	30		FDEDRO
C#CC[C@@H](CO)NC(=O)NC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1	ZINC000922724630	879084454	/nfs/dbraw/zinc/08/44/54/879084454.db2.gz	FHPDXVMWVZSFHD-IBGZPJMESA-N	1	0	372.469	1.293	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(C#N)c[nH]2)C1	ZINC001004354935	879184048	/nfs/dbraw/zinc/18/40/48/879184048.db2.gz	LVUPWAHKNUPPJL-CRNXPOROSA-N	1	0	355.442	1.090	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N2CCC([NH2+]C3CCOCC3)CC2)cc1	ZINC000922878594	879568691	/nfs/dbraw/zinc/56/86/91/879568691.db2.gz	OPXUXQDERAAFJI-UHFFFAOYSA-N	1	0	370.453	1.048	20	30		FDEDRO
N#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccn4c[nH+]cc4c2)C3)[nH]1	ZINC001004561762	879868935	/nfs/dbraw/zinc/86/89/35/879868935.db2.gz	TVLROPMOTPSDJK-OLMNPRSZSA-N	1	0	374.404	1.710	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(-c4cccnc4)on3)[C@H]2C1	ZINC001083180319	912521851	/nfs/dbraw/zinc/52/18/51/912521851.db2.gz	BLHFXYLWTDDGCL-FUHWJXTLSA-N	1	0	354.410	1.838	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1	ZINC001004670775	880043800	/nfs/dbraw/zinc/04/38/00/880043800.db2.gz	BXAQNLMWEOTVIK-QGTPRVQTSA-N	1	0	354.454	1.066	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1	ZINC000993929180	880070929	/nfs/dbraw/zinc/07/09/29/880070929.db2.gz	HTLNMVLMFHBJPE-NJAFHUGGSA-N	1	0	363.502	1.273	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)[C@H](C)C1	ZINC000993919636	880151595	/nfs/dbraw/zinc/15/15/95/880151595.db2.gz	VLGJDWUZDYFUKL-QGPMSJSTSA-N	1	0	371.485	1.585	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)CC[N@@H+]1C	ZINC000994088530	880637544	/nfs/dbraw/zinc/63/75/44/880637544.db2.gz	SZMVDYSMBPWRBJ-LFVTVUPYSA-N	1	0	371.485	1.441	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)c3coc(C)c3)C[C@H]2C)CC1	ZINC000994134967	880777537	/nfs/dbraw/zinc/77/75/37/880777537.db2.gz	GQFZTFDMIYPIRX-DNVCBOLYSA-N	1	0	371.481	1.758	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)c3[nH]ccc3C)C[C@H]2C)CC1	ZINC000994138132	880901541	/nfs/dbraw/zinc/90/15/41/880901541.db2.gz	YUBOZMUJGXQLDZ-SJLPKXTDSA-N	1	0	370.497	1.493	20	30		FDEDRO
C=CCn1c(C)nn(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1=S	ZINC000763329968	881111667	/nfs/dbraw/zinc/11/16/67/881111667.db2.gz	APRYFVLHNJRWCJ-NVXWUHKLSA-N	1	0	364.563	1.824	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CCOC2)C[C@H]1C(F)(F)F	ZINC001099285544	881151713	/nfs/dbraw/zinc/15/17/13/881151713.db2.gz	ZXBYBXKPQASYOP-RAIGVLPGSA-N	1	0	356.348	1.139	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C)C[C@@H]2O)nn1	ZINC001083846668	881187720	/nfs/dbraw/zinc/18/77/20/881187720.db2.gz	LWJTXWOUKXMFLQ-AEFFLSMTSA-N	1	0	355.442	1.138	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C(C)C)[NH+](C)C)cn1	ZINC001004746323	881199566	/nfs/dbraw/zinc/19/95/66/881199566.db2.gz	CDXLINSNAODQJX-YRXWBPOGSA-N	1	0	368.481	1.511	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2([NH+](C)C)CCC2)nc1	ZINC001004746978	881201130	/nfs/dbraw/zinc/20/11/30/881201130.db2.gz	HEBPJLCNELUYMA-NXHRZFHOSA-N	1	0	366.465	1.409	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C2CC2)[NH+](C)C)nc1	ZINC001004747697	881201611	/nfs/dbraw/zinc/20/16/11/881201611.db2.gz	KUDSMNKTYOHDKQ-YSHGAJCASA-N	1	0	366.465	1.265	20	30		FDEDRO
CC(CC[NH+](C)C)N=Nc1ccc(S(=O)(=O)N2CCCCC2)cn1	ZINC000915951797	881247658	/nfs/dbraw/zinc/24/76/58/881247658.db2.gz	JTSYMHSLODOVEK-UHFFFAOYSA-N	1	0	353.492	1.996	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCCc2ccccc2S(C)(=O)=O)CC1	ZINC000917142162	883130257	/nfs/dbraw/zinc/13/02/57/883130257.db2.gz	SOXHOCZIOCJJBE-UHFFFAOYSA-N	1	0	365.499	1.582	20	30		FDEDRO
C[C@@H]1CN(C(=O)CNc2ccc(C#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000497469064	883237804	/nfs/dbraw/zinc/23/78/04/883237804.db2.gz	YQDTUGXKWWCYEB-APWZRJJASA-N	1	0	355.486	1.455	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2cncnc2C)[C@@H](n2ccnn2)C1	ZINC001128763732	883330259	/nfs/dbraw/zinc/33/02/59/883330259.db2.gz	LWXDLNFLUHKFEA-MSOLQXFVSA-N	1	0	369.473	1.778	20	30		FDEDRO
C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+](C2CC2)C2CCC(C)CC2)c1=O	ZINC000917437834	883405367	/nfs/dbraw/zinc/40/53/67/883405367.db2.gz	MLLPOMXAGIDNEO-UHFFFAOYSA-N	1	0	374.485	1.544	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1	ZINC000917537083	883508392	/nfs/dbraw/zinc/50/83/92/883508392.db2.gz	WZADOOHTHYHEML-UHFFFAOYSA-N	1	0	371.890	1.725	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2)C1	ZINC001033960084	883577367	/nfs/dbraw/zinc/57/73/67/883577367.db2.gz	LXCAMLKYMJNHEI-QRVBRYPASA-N	1	0	371.481	1.799	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](CCc2cnn(CC)c2)C1	ZINC001033955144	883582791	/nfs/dbraw/zinc/58/27/91/883582791.db2.gz	XVQNVWHFNMFGED-QRVBRYPASA-N	1	0	360.502	1.959	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H](C)[NH+]2CCCCC2)c1	ZINC000917661248	883642041	/nfs/dbraw/zinc/64/20/41/883642041.db2.gz	UIRQGHKWJUDDRK-HNNXBMFYSA-N	1	0	365.499	1.755	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1CN(Cc2cc(C3CC3)no2)C[C@@H]1n1ccnn1	ZINC001128821283	883720749	/nfs/dbraw/zinc/72/07/49/883720749.db2.gz	PKUPUHSDZNCQMM-SJORKVTESA-N	1	0	356.430	1.651	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](CCCc2cccc(F)c2)C[C@@H]1n1ccnn1	ZINC001128829119	883750490	/nfs/dbraw/zinc/75/04/90/883750490.db2.gz	BTGDWDRYIIDRRI-QGTPRVQTSA-N	1	0	370.432	1.551	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnc(OC)nc2C)C1	ZINC000999427117	912750302	/nfs/dbraw/zinc/75/03/02/912750302.db2.gz	GEKGILWYSXXTEJ-BACDZXNISA-N	1	0	360.458	1.464	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCCNC(=O)c2ccc(F)cc2)CC1	ZINC000917858292	883871219	/nfs/dbraw/zinc/87/12/19/883871219.db2.gz	BBFQULWCPQDICI-UHFFFAOYSA-N	1	0	360.433	1.342	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](CC/C=C\CC)C[C@@H]1n1ccnn1	ZINC001128869068	883874451	/nfs/dbraw/zinc/87/44/51/883874451.db2.gz	BEAIBUGCYIOBIV-WIJVFFIESA-N	1	0	361.490	1.959	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cc(C)n[nH]2)[C@@H](n2ccnn2)C1	ZINC001128877638	883913754	/nfs/dbraw/zinc/91/37/54/883913754.db2.gz	FHDQZPQAWZACAK-UAGQMJEPSA-N	1	0	357.462	1.249	20	30		FDEDRO
CC(C)C[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](n2ccnn2)C1	ZINC001128891779	883968880	/nfs/dbraw/zinc/96/88/80/883968880.db2.gz	PPHOJGMFPFHJTA-QGTPRVQTSA-N	1	0	369.473	1.815	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cccnc2)[C@@H](n2ccnn2)C1	ZINC001128891985	883971471	/nfs/dbraw/zinc/97/14/71/883971471.db2.gz	XKIZNKJZNQVQLO-NXHRZFHOSA-N	1	0	354.458	1.612	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1CN(Cc2c(C)noc2C)C[C@@H]1n1ccnn1	ZINC001128939063	884192693	/nfs/dbraw/zinc/19/26/93/884192693.db2.gz	FYBTXYWHLGAFTN-SJORKVTESA-N	1	0	356.430	1.228	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)cc1	ZINC001034400652	884303654	/nfs/dbraw/zinc/30/36/54/884303654.db2.gz	ZQCBVOZPGAMISB-CEXWTWQISA-N	1	0	368.481	1.931	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)c2ccc(C)cc2)C[C@H]1C	ZINC001106891187	884328812	/nfs/dbraw/zinc/32/88/12/884328812.db2.gz	ZRNOQZMKUFCJAR-ZHALLVOQSA-N	1	0	355.482	1.532	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1	ZINC000918374010	884382583	/nfs/dbraw/zinc/38/25/83/884382583.db2.gz	SFOVEOUXLQRQNW-OAHLLOKOSA-N	1	0	363.483	1.202	20	30		FDEDRO
C#CCCCCCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001061755442	884444046	/nfs/dbraw/zinc/44/40/46/884444046.db2.gz	JTWNSSMUODUVQF-KZNAEPCWSA-N	1	0	363.502	1.254	20	30		FDEDRO
N#CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1	ZINC000918450016	884480124	/nfs/dbraw/zinc/48/01/24/884480124.db2.gz	VIYUTRORYSKMKR-MRXNPFEDSA-N	1	0	356.426	1.614	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CC/C=C\CCC)C[C@@H]1n1ccnn1	ZINC001128961296	884484265	/nfs/dbraw/zinc/48/42/65/884484265.db2.gz	AWKOPGMGWSYLMJ-MVFLZGCESA-N	1	0	361.490	1.693	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001128976587	884548401	/nfs/dbraw/zinc/54/84/01/884548401.db2.gz	ZHEMINSMVURZKG-MOPGFXCFSA-N	1	0	367.453	1.168	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC/C=C/CCC)C[C@@H]1n1ccnn1	ZINC001128979847	884564706	/nfs/dbraw/zinc/56/47/06/884564706.db2.gz	CBYIJAPZOFKUTJ-GGMNTJEBSA-N	1	0	359.474	1.404	20	30		FDEDRO
CC(C)(C)C#CC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1n1ccnn1	ZINC001128980401	884572489	/nfs/dbraw/zinc/57/24/89/884572489.db2.gz	ZHBBCTPDNIBLHM-ZACQAIPSSA-N	1	0	359.474	1.238	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCCN(C)C2=O)CC1	ZINC001034648425	884615304	/nfs/dbraw/zinc/61/53/04/884615304.db2.gz	HGZPQXBMLBNXMZ-DZVNLGKHSA-N	1	0	363.502	1.605	20	30		FDEDRO
CCO[C@@H]1C[C@@H](NC(=[NH+]C)N2CCN(c3ncccn3)CC2)C12CCC2	ZINC000154775679	884741353	/nfs/dbraw/zinc/74/13/53/884741353.db2.gz	YBNUXUIQKCVQND-HZPDHXFCSA-N	1	0	358.490	1.522	20	30		FDEDRO
CC#CCCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001061790570	884866769	/nfs/dbraw/zinc/86/67/69/884866769.db2.gz	LZUDOJPYNFIFLV-FGTMMUONSA-N	1	0	363.502	1.254	20	30		FDEDRO
C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1	ZINC000918948170	885056302	/nfs/dbraw/zinc/05/63/02/885056302.db2.gz	XIOKHMNEJBAIRD-OAHLLOKOSA-N	1	0	357.863	1.289	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(C[NH2+][C@H]2CCN(CC)C2=O)cc1	ZINC001034829409	885239490	/nfs/dbraw/zinc/23/94/90/885239490.db2.gz	SJXRDZGLEQGNQQ-QYZOEREBSA-N	1	0	371.481	1.604	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCC3(F)F)C[C@@H]2O)cn1	ZINC001083969081	912917815	/nfs/dbraw/zinc/91/78/15/912917815.db2.gz	UDQCCUGGJRLYGF-OIISXLGYSA-N	1	0	363.408	1.663	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@H]1CCCN1C(=O)[C@]12C[C@H]1COC2	ZINC001034940790	885392766	/nfs/dbraw/zinc/39/27/66/885392766.db2.gz	DZKISWTUPUIAQH-QKLQHJQFSA-N	1	0	355.438	1.684	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccn(C)c(=O)c1	ZINC001034941370	885396581	/nfs/dbraw/zinc/39/65/81/885396581.db2.gz	HBRFTAIEBLBTED-KURKYZTESA-N	1	0	359.470	1.447	20	30		FDEDRO
N#Cc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)c1	ZINC001035000443	885434700	/nfs/dbraw/zinc/43/47/00/885434700.db2.gz	WANIJKDXOSVSDG-ZGXWSNOMSA-N	1	0	369.465	1.690	20	30		FDEDRO
C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1	ZINC001005754801	885495140	/nfs/dbraw/zinc/49/51/40/885495140.db2.gz	BKLROLGWMFTDFW-MOPGFXCFSA-N	1	0	365.518	1.365	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]cn2)[C@@H](n2ccnn2)C1	ZINC001129049014	885538380	/nfs/dbraw/zinc/53/83/80/885538380.db2.gz	OINJJJPXHVRIKH-OIISXLGYSA-N	1	0	357.462	1.330	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)COCC2CCCC2)[C@@H](n2ccnn2)C1	ZINC001129053409	885583926	/nfs/dbraw/zinc/58/39/26/885583926.db2.gz	YHABBTKZPKTFKO-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC(C)(C)C1	ZINC001089490946	885619086	/nfs/dbraw/zinc/61/90/86/885619086.db2.gz	GDBCTHLEXCBQQG-ZACQAIPSSA-N	1	0	363.502	1.252	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(CC)CC)[C@H](C)C2)nc1	ZINC001106894205	885698410	/nfs/dbraw/zinc/69/84/10/885698410.db2.gz	FMECUQQGSGCDRJ-NVXWUHKLSA-N	1	0	370.497	1.665	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)[C@@H](n2ccnn2)C1	ZINC001129103298	885700949	/nfs/dbraw/zinc/70/09/49/885700949.db2.gz	JUZQZUCKOIZWEN-IECFSIQFSA-N	1	0	359.474	1.401	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2CCC)[C@@H](n2ccnn2)C1	ZINC001129084233	885708061	/nfs/dbraw/zinc/70/80/61/885708061.db2.gz	FSHWGWHKFCQYLO-SJORKVTESA-N	1	0	357.462	1.575	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCOCC(F)F)[C@H](C)C2)cn1	ZINC001106894248	885739629	/nfs/dbraw/zinc/73/96/29/885739629.db2.gz	HIJZIRFAJQDWJN-UKRRQHHQSA-N	1	0	351.397	1.642	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCn2cncn2)CC(C)(C)C1	ZINC001089498866	885751290	/nfs/dbraw/zinc/75/12/90/885751290.db2.gz	VYCBKVPSBZDWHQ-ZACQAIPSSA-N	1	0	361.490	1.476	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]C[C@@H](O)CC(F)(F)F)[C@H](C)C2)cn1	ZINC001106894411	885751758	/nfs/dbraw/zinc/75/17/58/885751758.db2.gz	KJMXQIAAEPOHPR-XPKDYRNWSA-N	1	0	369.387	1.674	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](CCCC)C(N)=O)[C@H](C)C2)nc1	ZINC001106894492	885755355	/nfs/dbraw/zinc/75/53/55/885755355.db2.gz	OHYXGOWDDMOWRH-DJIMGWMZSA-N	1	0	356.470	1.405	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)NC3=O)C[C@H]1C	ZINC001106895416	885903539	/nfs/dbraw/zinc/90/35/39/885903539.db2.gz	NOBLFGNVDUCUNX-UKRRQHHQSA-N	1	0	355.438	1.834	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2cnc(C)n2C)[C@@H](n2ccnn2)C1	ZINC001129195106	886199452	/nfs/dbraw/zinc/19/94/52/886199452.db2.gz	RLICNBXESOBXAJ-AEFFLSMTSA-N	1	0	371.489	1.722	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1	ZINC000919824749	886220348	/nfs/dbraw/zinc/22/03/48/886220348.db2.gz	CLLJABYIPKZUPV-KRWDZBQOSA-N	1	0	374.872	1.842	20	30		FDEDRO
CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)CC2	ZINC001035733585	886398011	/nfs/dbraw/zinc/39/80/11/886398011.db2.gz	DRHSQWVCSLFHQC-KGLIPLIRSA-N	1	0	360.376	1.280	20	30		FDEDRO
CO[C@@H]1C[N@H+](C[C@H](O)CCc2ccccc2)C[C@H]1NC(=O)C#CC1CC1	ZINC001212245978	886437933	/nfs/dbraw/zinc/43/79/33/886437933.db2.gz	IQFJRILXJSJTEG-VAMGGRTRSA-N	1	0	356.466	1.209	20	30		FDEDRO
CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1OCC[C@@H]1Cn1cccn1)CC2	ZINC001035816541	886472290	/nfs/dbraw/zinc/47/22/90/886472290.db2.gz	WMQLYFDQNUIDCY-QZTJIDSGSA-N	1	0	356.470	1.236	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CN(Cc3snnc3C)C2)CC1	ZINC001035800475	886481301	/nfs/dbraw/zinc/48/13/01/886481301.db2.gz	GAADHGMUYFWUOC-CABCVRRESA-N	1	0	362.499	1.862	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1n1ccnn1	ZINC001129238705	886746589	/nfs/dbraw/zinc/74/65/89/886746589.db2.gz	GIDSRMWAIHKSIP-AOIWGVFYSA-N	1	0	371.489	1.198	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccnc(OCC)c2)[C@@H](n2ccnn2)C1	ZINC001129242926	886790074	/nfs/dbraw/zinc/79/00/74/886790074.db2.gz	BKSSXVFLRLQSNH-SJORKVTESA-N	1	0	370.457	1.693	20	30		FDEDRO
C#CCCCS(=O)(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21	ZINC000710182832	886911201	/nfs/dbraw/zinc/91/12/01/886911201.db2.gz	FIWCHHJZZSULOK-MOPGFXCFSA-N	1	0	362.495	1.705	20	30		FDEDRO
C#CCC1(NC(=O)N[C@@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)CCOCC1	ZINC000888293920	886988978	/nfs/dbraw/zinc/98/89/78/886988978.db2.gz	KNZQGWKGCRXNDE-ZWKOTPCHSA-N	1	0	365.518	1.995	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC(CN(C)c3cnc(C#N)cn3)CC2)CC[N@@H+]1C	ZINC001062234425	886990942	/nfs/dbraw/zinc/99/09/42/886990942.db2.gz	BSRNEPPRRLYKFD-ZWKOTPCHSA-N	1	0	370.501	1.753	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCC2CN(Cc3ccc(C#N)c(F)c3)C2)CC[N@@H+]1C	ZINC001031683807	887447829	/nfs/dbraw/zinc/44/78/29/887447829.db2.gz	AAQMKHDWDKSEPR-PKOBYXMFSA-N	1	0	358.461	1.976	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(N3CCNC3=O)cc2)CC1	ZINC000923028206	887807023	/nfs/dbraw/zinc/80/70/23/887807023.db2.gz	VEWFWSPUDWTBJU-OAHLLOKOSA-N	1	0	369.469	1.674	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000921437608	887995531	/nfs/dbraw/zinc/99/55/31/887995531.db2.gz	BSOCOGCOEHYVJO-UHFFFAOYSA-N	1	0	350.463	1.346	20	30		FDEDRO
C=C[C@H](C)ONC(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000923087619	888012682	/nfs/dbraw/zinc/01/26/82/888012682.db2.gz	ZDFTYIRCCROHCH-ZDUSSCGKSA-N	1	0	356.467	1.781	20	30		FDEDRO
C[NH+](C)CC[C@@H](NS(=O)(=O)c1ccsc1C#N)c1cccnc1	ZINC000921479892	888052505	/nfs/dbraw/zinc/05/25/05/888052505.db2.gz	UZSBGPYTELHPCU-CYBMUJFWSA-N	1	0	350.469	1.986	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](CCc2ccc(OC)cc2)C[C@H]1OC	ZINC001212257413	888068373	/nfs/dbraw/zinc/06/83/73/888068373.db2.gz	BDLVARHKKYRVRD-RTBURBONSA-N	1	0	360.454	1.093	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC[NH+](C)CC2)c1	ZINC001005971374	888297323	/nfs/dbraw/zinc/29/73/23/888297323.db2.gz	FZHBRLUKCHDQBH-QRVBRYPASA-N	1	0	366.465	1.266	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3nc(C)ccc3o2)C[C@H]1C	ZINC001106903460	888298891	/nfs/dbraw/zinc/29/88/91/888298891.db2.gz	VSHKFTXYRUNDKM-UKRRQHHQSA-N	1	0	368.437	1.183	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCCc1ccc(C#N)cc1)C2	ZINC000923186467	888307763	/nfs/dbraw/zinc/30/77/63/888307763.db2.gz	SXHWPJGRSLVHPE-BNDYYXHWSA-N	1	0	370.497	1.880	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cnc(C3CC3)s2)C[C@H]1C	ZINC001106903894	888348920	/nfs/dbraw/zinc/34/89/20/888348920.db2.gz	PANKJDZOBUAHST-TZMCWYRMSA-N	1	0	362.499	1.620	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cnc(C3CC3)s2)C[C@H]1C	ZINC001106903921	888357533	/nfs/dbraw/zinc/35/75/33/888357533.db2.gz	QMEJHGXKUHGRIC-TZMCWYRMSA-N	1	0	360.483	1.068	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1OC	ZINC001212267906	888520185	/nfs/dbraw/zinc/52/01/85/888520185.db2.gz	HQUDOYDCKOFENE-GUDVDZBRSA-N	1	0	368.518	1.991	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cc1	ZINC000938398429	888534980	/nfs/dbraw/zinc/53/49/80/888534980.db2.gz	IHHIXMPIHNLKOX-GBESFXJTSA-N	1	0	353.466	1.729	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N(C)C1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC001006000259	888607932	/nfs/dbraw/zinc/60/79/32/888607932.db2.gz	HICUVWIIQRTQPV-MOPGFXCFSA-N	1	0	368.481	1.705	20	30		FDEDRO
CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)C1CC[NH+](CC#Cc2ccccc2)CC1	ZINC001006004433	888672233	/nfs/dbraw/zinc/67/22/33/888672233.db2.gz	PQQQPVLZHAKYKR-MOPGFXCFSA-N	1	0	367.493	1.863	20	30		FDEDRO
C#C[C@H](NC(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O)C1CCOCC1	ZINC000923326388	888919168	/nfs/dbraw/zinc/91/91/68/888919168.db2.gz	YPACHWBFTDUISK-VAVNGKDRSA-N	1	0	363.502	1.194	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1	ZINC000938621236	888982086	/nfs/dbraw/zinc/98/20/86/888982086.db2.gz	OUERQWZDCBLYDV-KSZLIROESA-N	1	0	363.502	1.415	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)CN1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1	ZINC000923378182	889051422	/nfs/dbraw/zinc/05/14/22/889051422.db2.gz	RPWYCXPFDMYKCE-HHXXYDBFSA-N	1	0	355.413	1.864	20	30		FDEDRO
C#CCN(C(=O)NC[C@@H]1CCCO[C@H]1c1nccn1C)C1CC[NH+](C)CC1	ZINC000923383272	889063121	/nfs/dbraw/zinc/06/31/21/889063121.db2.gz	XKLKOYNKGHCERL-FUHWJXTLSA-N	1	0	373.501	1.627	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1	ZINC001089692866	889093602	/nfs/dbraw/zinc/09/36/02/889093602.db2.gz	CWWNPSXIIPUZFV-HRCADAONSA-N	1	0	351.491	1.592	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)CN1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1	ZINC000923402563	889142140	/nfs/dbraw/zinc/14/21/40/889142140.db2.gz	YEKIHBFBRPJETH-ZNMIVQPWSA-N	1	0	357.376	1.757	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)N[C@@H]1C[C@@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O	ZINC000923487726	889415146	/nfs/dbraw/zinc/41/51/46/889415146.db2.gz	HCXRCCFKCBKRFE-VDCDIQELSA-N	1	0	351.491	1.194	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000938860331	889461112	/nfs/dbraw/zinc/46/11/12/889461112.db2.gz	ASKVRUXLRDSJMK-UAGQMJEPSA-N	1	0	354.410	1.256	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1	ZINC000373291571	889596028	/nfs/dbraw/zinc/59/60/28/889596028.db2.gz	FGZQEXREAVMTDI-CQSZACIVSA-N	1	0	353.426	2.427	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]Cc1cnnn1-c1ccccc1	ZINC001127608748	889725504	/nfs/dbraw/zinc/72/55/04/889725504.db2.gz	FKWZKBRKFZJYAF-MSOLQXFVSA-N	1	0	355.442	1.454	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)c2conc2CNC(=O)OC(C)(C)C)C1	ZINC000923552977	889754754	/nfs/dbraw/zinc/75/47/54/889754754.db2.gz	GROFQGXRHZHCHD-ZDUSSCGKSA-N	1	0	362.430	1.527	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3ccccc3n2)C[C@H]1C	ZINC001106911998	889833867	/nfs/dbraw/zinc/83/38/67/889833867.db2.gz	LCIYDNVZWYITJV-NVXWUHKLSA-N	1	0	364.449	1.282	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)N[C@H](C)CCC(C)C	ZINC001127612788	889884670	/nfs/dbraw/zinc/88/46/70/889884670.db2.gz	DCFAQZSCWBGIOP-ZACQAIPSSA-N	1	0	353.507	1.614	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)[C@@H](c2ccccc2F)N2CCOCC2)C1	ZINC000923573222	889904653	/nfs/dbraw/zinc/90/46/53/889904653.db2.gz	KLJIZIJFXZGUKI-QFBILLFUSA-N	1	0	359.445	1.413	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)[C@H](OC)C1	ZINC001212295396	889936339	/nfs/dbraw/zinc/93/63/39/889936339.db2.gz	MADHPXCOGUQASM-QBPKDAKJSA-N	1	0	353.507	1.687	20	30		FDEDRO
C=CCOCCCC(=O)NCC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCC1	ZINC001062752214	890030278	/nfs/dbraw/zinc/03/02/78/890030278.db2.gz	YUMIAGBVZHCMCC-DLBZAZTESA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)Oc2cccc(F)c2)[C@H](OC)C1	ZINC001212313222	890047385	/nfs/dbraw/zinc/04/73/85/890047385.db2.gz	JRTNFQPGDHRJKC-BMGDILEWSA-N	1	0	366.433	1.611	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc(Cl)c2)C[C@H]1C	ZINC001106912475	890052345	/nfs/dbraw/zinc/05/23/45/890052345.db2.gz	CVUPMCLAZUGMQW-IIAWOOMASA-N	1	0	361.873	1.776	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1CN(CC(=O)N[C@H](C)CCC)C[C@H]1OC	ZINC001212321257	890115622	/nfs/dbraw/zinc/11/56/22/890115622.db2.gz	YXFMVTSPXTZKLO-KBAYOESNSA-N	1	0	365.518	1.875	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N[C@@H]1CN([C@@H](C)C(=O)NC2CC2)C[C@H]1OC	ZINC001212323252	890151040	/nfs/dbraw/zinc/15/10/40/890151040.db2.gz	QBLNAHIFNIFSAF-ZLKJLUDKSA-N	1	0	357.882	1.248	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1n1ccnn1	ZINC001129294281	890164047	/nfs/dbraw/zinc/16/40/47/890164047.db2.gz	PWFCUOFBCOAOSU-ZACQAIPSSA-N	1	0	361.490	1.649	20	30		FDEDRO
C#Cc1ccc(C(=O)NC2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC2)cn1	ZINC001063222052	890325898	/nfs/dbraw/zinc/32/58/98/890325898.db2.gz	SPKWSXWPGRFUQY-RHSMWYFYSA-N	1	0	354.454	1.172	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1	ZINC000939303395	890417825	/nfs/dbraw/zinc/41/78/25/890417825.db2.gz	ORMBDJDQAMFAGD-KURKYZTESA-N	1	0	363.502	1.369	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CCNc3cnc(C#N)cn3)C2)CC[N@@H+]1C	ZINC001063301982	890427767	/nfs/dbraw/zinc/42/77/67/890427767.db2.gz	KAWYSBPLNXTBKA-HLLBOEOZSA-N	1	0	356.474	1.729	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000939330400	890500719	/nfs/dbraw/zinc/50/07/19/890500719.db2.gz	UTDBKDXPMTWFCL-XJIUQZFPSA-N	1	0	357.458	1.193	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000939762759	891214116	/nfs/dbraw/zinc/21/41/16/891214116.db2.gz	VWNDFKUWCVZUBA-JQHSSLGASA-N	1	0	368.437	1.598	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](CCO[C@@H]2CC2(F)F)CC1	ZINC001001852957	891458231	/nfs/dbraw/zinc/45/82/31/891458231.db2.gz	YLCTZLUFASPAON-OWCLPIDISA-N	1	0	358.429	1.830	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(C#N)c[nH]2)C3)C1	ZINC001001891668	891572812	/nfs/dbraw/zinc/57/28/12/891572812.db2.gz	VPOZDUQZZPUHLW-CRNXPOROSA-N	1	0	355.442	1.090	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)C3(C)CC(=C)C3)C2)CC1	ZINC000939996176	891591279	/nfs/dbraw/zinc/59/12/79/891591279.db2.gz	LILYYRFLBAYBDM-SJLPKXTDSA-N	1	0	357.498	1.651	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCC1CC[NH+](C)CC1	ZINC000181851921	891604634	/nfs/dbraw/zinc/60/46/34/891604634.db2.gz	UGYRNJNIWOLOCE-CQSZACIVSA-N	1	0	358.442	1.764	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C)c1	ZINC000940011196	891628471	/nfs/dbraw/zinc/62/84/71/891628471.db2.gz	RWXIHWSTQDYDLA-CRAIPNDOSA-N	1	0	368.481	1.372	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C#N)c[nH]1)C2	ZINC001001906035	891640976	/nfs/dbraw/zinc/64/09/76/891640976.db2.gz	XTPFWGJHDYEBFB-JHNDHUHGSA-N	1	0	355.442	1.232	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c(F)cccc2F)C[C@H]1C	ZINC001106916142	891763170	/nfs/dbraw/zinc/76/31/70/891763170.db2.gz	BPGDJVFBAVXAEP-HZSPNIEDSA-N	1	0	363.408	1.400	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1	ZINC001002146305	891989857	/nfs/dbraw/zinc/98/98/57/891989857.db2.gz	OGMBXIJCNZQWEV-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
CC1([NH2+]Cc2cc(C#N)ccc2F)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1	ZINC000940333324	892282274	/nfs/dbraw/zinc/28/22/74/892282274.db2.gz	PPQARPCQSHGMRS-CABCVRRESA-N	1	0	358.417	1.289	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)COc2ccccc2)C[C@H]1C	ZINC001106917588	892286389	/nfs/dbraw/zinc/28/63/89/892286389.db2.gz	JPZRLMOGZKBXMV-BRWVUGGUSA-N	1	0	359.470	1.440	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C[C@H]1C	ZINC001106920989	892575661	/nfs/dbraw/zinc/57/56/61/892575661.db2.gz	RHKBHSRMNIGNRN-BFYDXBDKSA-N	1	0	357.520	1.109	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)[C@H](C)C1	ZINC001106921038	892577190	/nfs/dbraw/zinc/57/71/90/892577190.db2.gz	TUCSEARXFYBIJO-VQIMIIECSA-N	1	0	369.509	1.809	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]CCc2cnn(C)c2)[C@H](C)C1	ZINC001106922462	892593872	/nfs/dbraw/zinc/59/38/72/892593872.db2.gz	DSFDMJHIZYPOTI-DYESRHJHSA-N	1	0	364.493	1.871	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC001002405615	892847679	/nfs/dbraw/zinc/84/76/79/892847679.db2.gz	OTZPQGAPXHXAIC-XOKHGSTOSA-N	1	0	357.458	1.290	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1	ZINC001002462679	892962812	/nfs/dbraw/zinc/96/28/12/892962812.db2.gz	WZRRZSGHMVDXRP-SQNIBIBYSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C3CC3)cn2)C[C@H]1C	ZINC001106935336	893136597	/nfs/dbraw/zinc/13/65/97/893136597.db2.gz	LVXLRZHHGQHSGF-IIDMSEBBSA-N	1	0	370.497	1.947	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(F)cc2F)C[C@H]1C	ZINC001106940442	893148863	/nfs/dbraw/zinc/14/88/63/893148863.db2.gz	QLQGCVBFSNKFFU-MGPQQGTHSA-N	1	0	363.408	1.400	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC(c3ccccn3)CC2)CC1	ZINC000672355103	893215762	/nfs/dbraw/zinc/21/57/62/893215762.db2.gz	WYEKQXGTUFCWDY-UHFFFAOYSA-N	1	0	356.470	1.554	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)[C@H](OC)C1	ZINC001212451164	893392656	/nfs/dbraw/zinc/39/26/56/893392656.db2.gz	QEQSIUMHXGZPJE-BRSBDYLESA-N	1	0	353.507	1.267	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)COCc2cc(C)no2)[C@H](OC)C1	ZINC001212452395	893437144	/nfs/dbraw/zinc/43/71/44/893437144.db2.gz	AKPGLXQFPUXYJT-USXIJHARSA-N	1	0	351.447	1.670	20	30		FDEDRO
CC1(C)C[N@H+](Cc2cccc(C#N)c2)CC[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O	ZINC000941035906	893656176	/nfs/dbraw/zinc/65/61/76/893656176.db2.gz	UYXZZSZVQNAHJD-IXDOHACOSA-N	1	0	354.454	1.396	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCc2cnn(C)c2)CC1(C)C	ZINC000941039343	893667751	/nfs/dbraw/zinc/66/77/51/893667751.db2.gz	OZTYJDVEMGDOJV-SQNIBIBYSA-N	1	0	360.502	1.770	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)Cc2cc(C)c(Cl)cn2)[C@H](OC)C1	ZINC001212460728	893830441	/nfs/dbraw/zinc/83/04/41/893830441.db2.gz	KXPHGHBCYOWSJB-IAGOWNOFSA-N	1	0	367.877	1.604	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1	ZINC000672579782	894036435	/nfs/dbraw/zinc/03/64/35/894036435.db2.gz	RNPFETOEXMSIQK-SFHVURJKSA-N	1	0	371.481	1.954	20	30		FDEDRO
N#Cc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc5nonc5c4)C[C@H]32)c[nH]1	ZINC001084293828	913844010	/nfs/dbraw/zinc/84/40/10/913844010.db2.gz	ZRRARYFVVFJYHU-FZKQIMNGSA-N	1	0	362.393	1.769	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1nc(Cl)c(C#N)s1	ZINC000888418111	894206777	/nfs/dbraw/zinc/20/67/77/894206777.db2.gz	YNLDRUQWNINFDO-SNVBAGLBSA-N	1	0	356.883	1.816	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)cc(C(N)=O)c1	ZINC000922021642	894458913	/nfs/dbraw/zinc/45/89/13/894458913.db2.gz	AOVVNMPVMMQRKV-UHFFFAOYSA-N	1	0	369.874	1.157	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cnn(C)c1C(F)(F)F	ZINC000922026667	894545626	/nfs/dbraw/zinc/54/56/26/894545626.db2.gz	WHKJOULQUHWROJ-UHFFFAOYSA-N	1	0	364.393	1.157	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1	ZINC000922027538	894551223	/nfs/dbraw/zinc/55/12/23/894551223.db2.gz	WXLOICTWXYUDAX-UHFFFAOYSA-N	1	0	367.427	1.322	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)COc2ccc(C)cc2)C[C@H]1C	ZINC001106956392	894873708	/nfs/dbraw/zinc/87/37/08/894873708.db2.gz	ZZZFIOGKZZJBMB-FGTMMUONSA-N	1	0	371.481	1.196	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2csc(C)n2)C[C@H]1C	ZINC001106958147	895038322	/nfs/dbraw/zinc/03/83/22/895038322.db2.gz	RATQVRRCSRAJLI-VNHYZAJKSA-N	1	0	364.515	1.369	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2sc(C)nc2C)C[C@H]1C	ZINC001106962445	896017526	/nfs/dbraw/zinc/01/75/26/896017526.db2.gz	JZZRJGGIABMPMB-OSAQELSMSA-N	1	0	362.499	1.196	20	30		FDEDRO
C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3OCC[C@H]3C(C)C)nn2)C1	ZINC000999986980	896519671	/nfs/dbraw/zinc/51/96/71/896519671.db2.gz	LYCQYCSESFVUDW-BZSNNMDCSA-N	1	0	361.490	1.778	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])c1	ZINC000903539552	896689835	/nfs/dbraw/zinc/68/98/35/896689835.db2.gz	DXVSUVYDHLUZRB-QAPCUYQASA-N	1	0	363.483	1.494	20	30		FDEDRO
C[C@]1(C(=O)N[C@@H]2CN(Cc3ccc(F)c(C#N)c3)C[C@H]2O)CCCOC1	ZINC001077904992	896776317	/nfs/dbraw/zinc/77/63/17/896776317.db2.gz	AFENPHPFJITZNK-LMMKCTJWSA-N	1	0	361.417	1.175	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCNC(=O)c2ccsc2)[C@H](OC)C1	ZINC001212430212	897000257	/nfs/dbraw/zinc/00/02/57/897000257.db2.gz	FKHWECZBLMZLDN-HZPDHXFCSA-N	1	0	365.499	1.650	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c(C)noc2CC)C[C@H]1C	ZINC001106970890	897211039	/nfs/dbraw/zinc/21/10/39/897211039.db2.gz	ZFHFTXAZGDYDEZ-BPLDGKMQSA-N	1	0	362.474	1.534	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c(C)noc2C)C[C@H]1C	ZINC001106973236	897236365	/nfs/dbraw/zinc/23/63/65/897236365.db2.gz	JDVNSSXDYHRUMD-IVMMDQJWSA-N	1	0	362.474	1.209	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCOc2ccccc2)C[C@H]1C	ZINC001106979225	897382130	/nfs/dbraw/zinc/38/21/30/897382130.db2.gz	DYVJEWIATKKNGJ-FGTMMUONSA-N	1	0	371.481	1.278	20	30		FDEDRO
C#CC[N@H+]1C[C@H](NC(=O)[C@H]2CCCO[C@H]2C(=C)C)CC2(CCOCC2)C1	ZINC001089961330	897401303	/nfs/dbraw/zinc/40/13/03/897401303.db2.gz	HDCUNUYOOWWLBQ-QYZOEREBSA-N	1	0	360.498	1.978	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]21	ZINC001084353300	914160856	/nfs/dbraw/zinc/16/08/56/914160856.db2.gz	CQSUYMGIIKKMKJ-MKXGPGLRSA-N	1	0	371.481	1.399	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106982064	897465942	/nfs/dbraw/zinc/46/59/42/897465942.db2.gz	CGTNACJWAGNTPR-NVXWUHKLSA-N	1	0	354.429	1.909	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2n[nH]c3c2CCCCC3)C[C@H]1C	ZINC001106986717	897623243	/nfs/dbraw/zinc/62/32/43/897623243.db2.gz	BPADHKZPKMQTRO-HZPDHXFCSA-N	1	0	358.486	1.626	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccccc2)C[C@H]1O	ZINC001078027856	897656010	/nfs/dbraw/zinc/65/60/10/897656010.db2.gz	LJGYUEYDHJDFNW-ATZDWAIDSA-N	1	0	365.433	1.630	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1	ZINC000995274991	897713851	/nfs/dbraw/zinc/71/38/51/897713851.db2.gz	RGGZGWPSCLWCSU-QRVBRYPASA-N	1	0	368.481	1.090	20	30		FDEDRO
C=CCOCCN1C[C@@H](NC(=O)c2cnc(-c3ccccc3)o2)[C@H](OC)C1	ZINC001212436902	897893057	/nfs/dbraw/zinc/89/30/57/897893057.db2.gz	PNZGTTFHXUIIGS-SJLPKXTDSA-N	1	0	371.437	1.973	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N(CC)C(=O)C23CC[NH+](CC2)C3)C1	ZINC000942879325	898000809	/nfs/dbraw/zinc/00/08/09/898000809.db2.gz	WECCWVWSUOVABA-BBWFWOEESA-N	1	0	361.486	1.123	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cncs2)C1	ZINC001078402433	898734143	/nfs/dbraw/zinc/73/41/43/898734143.db2.gz	NMSYMPVXUBBNQV-OIISXLGYSA-N	1	0	365.499	1.831	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2nccn2C)C1	ZINC001078402845	898737102	/nfs/dbraw/zinc/73/71/02/898737102.db2.gz	ZAGYCAHZFCMIGE-BBWFWOEESA-N	1	0	362.474	1.108	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2nccn2C)C1	ZINC001078486492	898844095	/nfs/dbraw/zinc/84/40/95/898844095.db2.gz	XQVFBUDSCLLMOW-RYRKJORJSA-N	1	0	362.474	1.108	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cc(C)nc3cc(C)nn32)C[C@H]1C	ZINC001107000213	898949193	/nfs/dbraw/zinc/94/91/93/898949193.db2.gz	KRUJYADPLBVZGH-RHSMWYFYSA-N	1	0	371.485	1.846	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000656191566	899011103	/nfs/dbraw/zinc/01/11/03/899011103.db2.gz	AZJHDJHERBHLOU-KURKYZTESA-N	1	0	350.507	1.530	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC1	ZINC000943773469	899352827	/nfs/dbraw/zinc/35/28/27/899352827.db2.gz	UFEKMAYNEJLDSN-ZKXLYKBJSA-N	1	0	363.502	1.605	20	30		FDEDRO
[NH3+][C@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1	ZINC000415643065	899835199	/nfs/dbraw/zinc/83/51/99/899835199.db2.gz	ISBWRWPWNUQJFE-LPHOPBHVSA-N	1	0	362.433	1.806	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)nc1	ZINC000944170584	899942808	/nfs/dbraw/zinc/94/28/08/899942808.db2.gz	WXWJIFSLHJDMQL-DJIMGWMZSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000944223949	900001010	/nfs/dbraw/zinc/00/10/10/900001010.db2.gz	MHHPLQCVBZVGGH-AVEIZBFRSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](OC)C1	ZINC000944395972	900212200	/nfs/dbraw/zinc/21/22/00/900212200.db2.gz	BSJIXTYLNYDEJX-HUUCEWRRSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]Cc2nnc(OCC)s2)[C@H](C)C1	ZINC001107062171	900440567	/nfs/dbraw/zinc/44/05/67/900440567.db2.gz	BKOGWNXGIVLQBS-ZIAGYGMSSA-N	1	0	368.503	1.714	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(CC)CC)[C@H](C)C1	ZINC001107062203	900442182	/nfs/dbraw/zinc/44/21/82/900442182.db2.gz	CMMKPUNBYRXZRX-BRWVUGGUSA-N	1	0	367.534	1.957	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(CCC)CCC)[C@H](C)C1	ZINC001107063167	900448018	/nfs/dbraw/zinc/44/80/18/900448018.db2.gz	DMAWCRIVGVJQOD-KZNAEPCWSA-N	1	0	367.534	1.910	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C(N)=O)c2)[C@H](C)C1	ZINC001107063691	900449678	/nfs/dbraw/zinc/44/96/78/900449678.db2.gz	XOKPBGIPINXPIH-IIDMSEBBSA-N	1	0	359.470	1.561	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CCn2cc(Cl)cn2)[C@H](C)C1	ZINC001107063544	900449726	/nfs/dbraw/zinc/44/97/26/900449726.db2.gz	RQCHRSDCCNREBE-RBSFLKMASA-N	1	0	354.882	1.812	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CCOC[C@@H]2CCCCO2)[C@H](C)C1	ZINC001107065828	900457835	/nfs/dbraw/zinc/45/78/35/900457835.db2.gz	YXHDEIWMYCCLNW-QRVBRYPASA-N	1	0	368.518	1.849	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2ccnc(-n3cncn3)c2)C[C@H]1C	ZINC001107078933	900548108	/nfs/dbraw/zinc/54/81/08/900548108.db2.gz	OXZDEQKYIZRETI-NVXWUHKLSA-N	1	0	354.458	1.926	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2COc3ccccc32)C[C@H]1C	ZINC001107079316	900549626	/nfs/dbraw/zinc/54/96/26/900549626.db2.gz	XLSFFPWODOJQNA-INMHGKMJSA-N	1	0	357.454	1.149	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2coc3ccccc32)C[C@H]1C	ZINC001107082692	900618522	/nfs/dbraw/zinc/61/85/22/900618522.db2.gz	OVQUPJINJQZOIE-OWCLPIDISA-N	1	0	367.449	1.868	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)C[C@H]1C	ZINC001107083926	900673133	/nfs/dbraw/zinc/67/31/33/900673133.db2.gz	SYTXOAUBHWUZPG-ZACQAIPSSA-N	1	0	350.507	1.960	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2C)C[C@H]1C	ZINC001107087321	900718963	/nfs/dbraw/zinc/71/89/63/900718963.db2.gz	ZYEHRGPFPOGTRJ-QZTJIDSGSA-N	1	0	369.509	1.706	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)c2cccnc2)[C@@H](n2ccnn2)C1	ZINC001129300757	900978089	/nfs/dbraw/zinc/97/80/89/900978089.db2.gz	GTZBJIOEMUZEMO-JQHSSLGASA-N	1	0	352.442	1.232	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2ccn(CC)n2)[C@@H](n2ccnn2)C1	ZINC001129301677	901001651	/nfs/dbraw/zinc/00/16/51/901001651.db2.gz	VOZILWWJZUSALI-MSOLQXFVSA-N	1	0	371.489	1.896	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1=O	ZINC000348622175	901334634	/nfs/dbraw/zinc/33/46/34/901334634.db2.gz	VIOYTCZPLVSBHG-ZWKOTPCHSA-N	1	0	373.453	1.401	20	30		FDEDRO
N#Cc1cccc(CN2C[C@@H](NC(=O)c3coc(C4CCC4)n3)[C@@H](O)C2)c1	ZINC001083928236	901804910	/nfs/dbraw/zinc/80/49/10/901804910.db2.gz	NCEWEDMVGRNSKG-AEFFLSMTSA-N	1	0	366.421	1.789	20	30		FDEDRO
C#CCCCCC(=O)N1CCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001065063596	901823305	/nfs/dbraw/zinc/82/33/05/901823305.db2.gz	IQIYGMFFCYMFHW-FGTMMUONSA-N	1	0	363.502	1.254	20	30		FDEDRO
C[NH+]=C(NCC1(N2CCOCC2)CCCCC1)N[C@H]1CCN(C2CC2)C1	ZINC000083129027	901858319	/nfs/dbraw/zinc/85/83/19/901858319.db2.gz	TZHPPPFWRUPAPO-KRWDZBQOSA-N	1	0	363.550	1.423	20	30		FDEDRO
C[NH+]=C(NCc1cccc(N2CCCC2=O)c1)N[C@H]1CCN(C2CC2)C1	ZINC000083166991	901916496	/nfs/dbraw/zinc/91/64/96/901916496.db2.gz	YSAZSQPYFOHAQA-INIZCTEOSA-N	1	0	355.486	1.715	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](CCCCCNC(C)=O)CC1	ZINC001079153941	901956335	/nfs/dbraw/zinc/95/63/35/901956335.db2.gz	HUIJDLKRPVWIFU-ROUUACIJSA-N	1	0	351.491	1.418	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cn(C)nn2)C1	ZINC001079134487	901995439	/nfs/dbraw/zinc/99/54/39/901995439.db2.gz	BDBKINHTIMYVEU-QZTJIDSGSA-N	1	0	355.442	1.079	20	30		FDEDRO
C#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[N@H+]2CCC)C1	ZINC001079135655	902001558	/nfs/dbraw/zinc/00/15/58/902001558.db2.gz	FRPMWMHKHMNGKK-NJDAHSKKSA-N	1	0	369.509	1.568	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CC)C[C@H]1O	ZINC001079136770	902005847	/nfs/dbraw/zinc/00/58/47/902005847.db2.gz	BIGPCILNTVAEFI-XUVXKRRUSA-N	1	0	355.482	1.178	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC(=O)NC2)C1	ZINC001079137885	902013832	/nfs/dbraw/zinc/01/38/32/902013832.db2.gz	ALCPXLPBLHZLRG-GUDVDZBRSA-N	1	0	371.481	1.163	20	30		FDEDRO
CC#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCCC[N@@H+]2C)C1	ZINC001079138119	902017183	/nfs/dbraw/zinc/01/71/83/902017183.db2.gz	OTABNLFCUIZXPP-PWRODBHTSA-N	1	0	369.509	1.568	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C2CN(C(C)=O)C2)C[C@H]1c1cccc(F)c1	ZINC001079180168	902065932	/nfs/dbraw/zinc/06/59/32/902065932.db2.gz	DNEGNCUBGUBBOW-RBUKOAKNSA-N	1	0	359.445	1.764	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[NH+](CCCCCNC(C)=O)CC1	ZINC001079154220	902068699	/nfs/dbraw/zinc/06/86/99/902068699.db2.gz	SJIWUWHVZNLUFE-MSOLQXFVSA-N	1	0	351.491	1.418	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1c1cccc(F)c1	ZINC001079198515	902096057	/nfs/dbraw/zinc/09/60/57/902096057.db2.gz	FIGKSKIQSUNTPJ-VSZNYVQBSA-N	1	0	357.429	1.067	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C[C@H]1c1cccc(F)c1	ZINC001079201369	902101055	/nfs/dbraw/zinc/10/10/55/902101055.db2.gz	QTHLACOHNGLPDQ-ZGXWSNOMSA-N	1	0	366.440	1.880	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3n[nH]nc3C2)C[C@H]1c1cccc(F)c1	ZINC001079206878	902112723	/nfs/dbraw/zinc/11/27/23/902112723.db2.gz	BOOZMJAFRXMBPM-SIXWZSSISA-N	1	0	369.444	1.819	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3n[nH]nc3C2)C[C@H]1c1cccc(F)c1	ZINC001079206879	902113038	/nfs/dbraw/zinc/11/30/38/902113038.db2.gz	BOOZMJAFRXMBPM-URLQWDBASA-N	1	0	369.444	1.819	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccnc2C(N)=O)C[C@H]1c1cccc(F)c1	ZINC001079210848	902118899	/nfs/dbraw/zinc/11/88/99/902118899.db2.gz	DSCDTDABTIVWIA-DLBZAZTESA-N	1	0	368.412	1.703	20	30		FDEDRO
CN1CC[C@H]([NH2+][C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2c2cccc(F)c2)C1=O	ZINC001079183498	902125494	/nfs/dbraw/zinc/12/54/94/902125494.db2.gz	FSUKRXYZTZRXEU-GBESFXJTSA-N	1	0	369.440	1.354	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+][C@@H]2CCNC2=O)C1	ZINC001079183769	902127424	/nfs/dbraw/zinc/12/74/24/902127424.db2.gz	SULGFPCAKLTEPL-RCCFBDPRSA-N	1	0	355.413	1.012	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1c1cccc(F)c1	ZINC001079186513	902131979	/nfs/dbraw/zinc/13/19/79/902131979.db2.gz	OXQHFCVYFSWMFQ-RYQLBKOJSA-N	1	0	359.445	1.764	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1c1cccc(F)c1	ZINC001079189337	902141514	/nfs/dbraw/zinc/14/15/14/902141514.db2.gz	KVGMGUBZRKUGDH-ZWKOTPCHSA-N	1	0	353.397	1.355	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1c1cccc(F)c1	ZINC001079192631	902151403	/nfs/dbraw/zinc/15/14/03/902151403.db2.gz	RUAZQGMYCMRWEV-DLBZAZTESA-N	1	0	370.428	1.693	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)C[C@H]3CCCCO3)[C@@H]3COC[C@@H]32)CC1	ZINC001079234489	902171730	/nfs/dbraw/zinc/17/17/30/902171730.db2.gz	NXMSAIABLZIQBK-CEXWTWQISA-N	1	0	360.498	1.908	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)C[C@](C)(O)C3CC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079235814	902175470	/nfs/dbraw/zinc/17/54/70/902175470.db2.gz	SGZSXJCWWYGLCO-NSHGMRRFSA-N	1	0	360.498	1.500	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N1CC2(CCN(CC#N)CC2)[C@H]2COC[C@H]21	ZINC001079246142	902257087	/nfs/dbraw/zinc/25/70/87/902257087.db2.gz	RTSHGHKGAKZXDY-OKZBNKHCSA-N	1	0	360.502	1.324	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCn4ccnc4C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079248068	902262881	/nfs/dbraw/zinc/26/28/81/902262881.db2.gz	GNCMMQJOJJDAOS-FGTMMUONSA-N	1	0	370.497	1.571	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cnc4ccccn34)[C@@H]3COC[C@@H]32)CC1	ZINC001079248039	902262997	/nfs/dbraw/zinc/26/29/97/902262997.db2.gz	DFHHIEXCLBFPKN-FUHWJXTLSA-N	1	0	364.449	1.521	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc4c[nH]ccc-4n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079248266	902263864	/nfs/dbraw/zinc/26/38/64/902263864.db2.gz	OWFWJODLCHDJSF-QFBILLFUSA-N	1	0	364.449	1.749	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)Cn3cc(C4CC4)cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079248431	902265497	/nfs/dbraw/zinc/26/54/97/902265497.db2.gz	YQFSVCMFITTXRG-RBUKOAKNSA-N	1	0	368.481	1.333	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3ccc(N(C)C)nc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079250190	902268400	/nfs/dbraw/zinc/26/84/00/902268400.db2.gz	QPFDLURUXVTWKC-ZWKOTPCHSA-N	1	0	370.497	1.887	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3nc(C)c(C)nc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079251134	902270441	/nfs/dbraw/zinc/27/04/41/902270441.db2.gz	HUHFKGMCOXHHNM-ZWKOTPCHSA-N	1	0	368.481	1.588	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ncc(Cl)s3)[C@@H]3COC[C@@H]32)CC1	ZINC001079251055	902271205	/nfs/dbraw/zinc/27/12/05/902271205.db2.gz	COZMUMQPIVIBPW-QWHCGFSZSA-N	1	0	365.886	1.983	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3ccc(OC)nc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079251203	902271715	/nfs/dbraw/zinc/27/17/15/902271715.db2.gz	LGKAZNLBQMWNKN-ZWKOTPCHSA-N	1	0	369.465	1.667	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)Cc3cc(CC)nn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079252242	902274913	/nfs/dbraw/zinc/27/49/13/902274913.db2.gz	GUXVLQAWFYZDBO-RBUKOAKNSA-N	1	0	370.497	1.098	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cnc(C)n3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079258284	902292197	/nfs/dbraw/zinc/29/21/97/902292197.db2.gz	XFBBFEWCLHWPKA-FUHWJXTLSA-N	1	0	356.470	1.305	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cccnc3OC)[C@@H]3COC[C@@H]32)CC1	ZINC001079258626	902292853	/nfs/dbraw/zinc/29/28/53/902292853.db2.gz	IGEBJGPUXSOQEZ-ZWKOTPCHSA-N	1	0	369.465	1.667	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)C[C@H]3CCC(=O)N3)[C@@H]3COC[C@@H]32)CC1	ZINC001079265387	902310393	/nfs/dbraw/zinc/31/03/93/902310393.db2.gz	HBESKSGVIXBSOV-IXDOHACOSA-N	1	0	361.486	1.171	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH]cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079265625	902312647	/nfs/dbraw/zinc/31/26/47/902312647.db2.gz	STENEOUOGCVLHY-NZSAHSFTSA-N	1	0	370.497	1.551	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC3(CC[NH+](CC=C)CC3)[C@H]3COC[C@H]32)nn1	ZINC001079265678	902314119	/nfs/dbraw/zinc/31/41/19/902314119.db2.gz	VZWXMDPYTCVJFQ-DOTOQJQBSA-N	1	0	357.458	1.203	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H](C)c3c(C)n[nH]c3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079267344	902316720	/nfs/dbraw/zinc/31/67/20/902316720.db2.gz	SJAHFRFOHMLSAM-JCGIZDLHSA-N	1	0	370.497	1.703	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ccc4nccn4c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269221	902324575	/nfs/dbraw/zinc/32/45/75/902324575.db2.gz	NLNKXKLYMFXEGU-ZWKOTPCHSA-N	1	0	364.449	1.521	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cnn(C(C)C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079270118	902327171	/nfs/dbraw/zinc/32/71/71/902327171.db2.gz	BJQYVFVJKVFRIS-ZWKOTPCHSA-N	1	0	356.470	1.650	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)Cc3c(C)n[nH]c3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079272155	902334890	/nfs/dbraw/zinc/33/48/90/902334890.db2.gz	DRDQLHZTDQGEJC-RBUKOAKNSA-N	1	0	370.497	1.532	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)CO[C@@H]3CCOC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079242546	902337072	/nfs/dbraw/zinc/33/70/72/902337072.db2.gz	ZQRVOMJHWTYSNP-FGTMMUONSA-N	1	0	364.486	1.307	20	30		FDEDRO
C=C(Cl)CN1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079273973	902337442	/nfs/dbraw/zinc/33/74/42/902337442.db2.gz	ZSYRPKRYCRMTHP-IXDOHACOSA-N	1	0	367.921	1.630	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)S(C)(=O)=O)C[C@H]1c1ccccc1F	ZINC001079299523	902344742	/nfs/dbraw/zinc/34/47/42/902344742.db2.gz	VKKXGCYXNDZRBE-IVMMDQJWSA-N	1	0	354.447	1.329	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H](C)C3CCOCC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079276352	902360582	/nfs/dbraw/zinc/36/05/82/902360582.db2.gz	GJUGQVFLQQGAAB-YTQUADARSA-N	1	0	360.498	1.622	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC34CCOCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079278039	902365769	/nfs/dbraw/zinc/36/57/69/902365769.db2.gz	HOGLLCZVLQKTBM-OKZBNKHCSA-N	1	0	360.498	1.929	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]Cc2ccnn2C)C1	ZINC001079286895	902382414	/nfs/dbraw/zinc/38/24/14/902382414.db2.gz	FVEOZJGDNINCKA-QANKJYHBSA-N	1	0	355.417	1.803	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2ccnn2C)C[C@H]1c1ccccc1F	ZINC001079295757	902400313	/nfs/dbraw/zinc/40/03/13/902400313.db2.gz	RTRXFGVZSIJSRZ-QILLFSRXSA-N	1	0	354.429	1.880	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC)C2)C[C@H]1c1ccccc1F	ZINC001079296710	902401384	/nfs/dbraw/zinc/40/13/84/902401384.db2.gz	NXSCWWNOJFARGP-QILLFSRXSA-N	1	0	359.445	1.764	20	30		FDEDRO
N#CCN[C@@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C[C@H]1c1ccccc1F	ZINC001079319737	902420746	/nfs/dbraw/zinc/42/07/46/902420746.db2.gz	LUCVNEQYAZXZAS-HQRMLTQVSA-N	1	0	356.445	1.719	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(C)c(C)n[nH]c2=O)C[C@H]1c1ccccc1F	ZINC001079304905	902434975	/nfs/dbraw/zinc/43/49/75/902434975.db2.gz	BAFAGXDERKUTMD-DOTOQJQBSA-N	1	0	368.412	1.769	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@H]2c2ccccc2F)cc1	ZINC001079308553	902441712	/nfs/dbraw/zinc/44/17/12/902441712.db2.gz	LQQUABQYWWDFJL-FUHWJXTLSA-N	1	0	366.396	1.267	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cc2OC)C[C@H]1c1ccccc1F	ZINC001079312287	902447892	/nfs/dbraw/zinc/44/78/92/902447892.db2.gz	OISALWBBYGWQPN-DOTOQJQBSA-N	1	0	369.396	1.766	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)C[C@@H]1CCOC1	ZINC001079514510	902742738	/nfs/dbraw/zinc/74/27/38/902742738.db2.gz	SPKLJAPAOIMOPZ-HHXXYDBFSA-N	1	0	357.454	1.952	20	30		FDEDRO
Cc1c(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]2C)nnn1C	ZINC001079520156	902753712	/nfs/dbraw/zinc/75/37/12/902753712.db2.gz	SRTDOCSFAZRGPV-CXAGYDPISA-N	1	0	368.441	1.276	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC001079540492	902774345	/nfs/dbraw/zinc/77/43/45/902774345.db2.gz	SWYUHRMSTXKILQ-PJSAGSTRSA-N	1	0	356.401	1.809	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H]2COc3ccccc3O2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC001079589359	902868030	/nfs/dbraw/zinc/86/80/30/902868030.db2.gz	GCWUCZAHZKFHIN-FRFSOERESA-N	1	0	366.421	1.776	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2=CCCC2)C3)CC1	ZINC000996052566	902969234	/nfs/dbraw/zinc/96/92/34/902969234.db2.gz	MLVJOEDTUWCAIT-QYZOEREBSA-N	1	0	355.482	1.690	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000654431345	902975193	/nfs/dbraw/zinc/97/51/93/902975193.db2.gz	GXMNWMYAYNLFDJ-ZACQAIPSSA-N	1	0	352.523	1.824	20	30		FDEDRO
C[C@@H]1CN(Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001079710864	903123149	/nfs/dbraw/zinc/12/31/49/903123149.db2.gz	ZWVNQYMXCIVMNZ-HEFCMCLBSA-N	1	0	370.472	1.976	20	30		FDEDRO
C[NH+](C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c[nH]c(C#N)c2)C3)CCC1	ZINC000996127074	903161711	/nfs/dbraw/zinc/16/17/11/903161711.db2.gz	RDXXMZAUPGOZJQ-PMPSAXMXSA-N	1	0	355.442	1.232	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001079860841	903552068	/nfs/dbraw/zinc/55/20/68/903552068.db2.gz	AXMZSPMKDHHDBY-FCEWJHQRSA-N	1	0	351.491	1.103	20	30		FDEDRO
C=CCCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)nn2)C1	ZINC001107180179	903631325	/nfs/dbraw/zinc/63/13/25/903631325.db2.gz	FSFAFWYXOBZLHR-HZPDHXFCSA-N	1	0	355.446	1.244	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1	ZINC000996371293	903795724	/nfs/dbraw/zinc/79/57/24/903795724.db2.gz	JPCQUDKMRMNAKB-YDZRNGNQSA-N	1	0	357.498	1.911	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCOC)CCC[C@@H]12	ZINC001107246913	904121985	/nfs/dbraw/zinc/12/19/85/904121985.db2.gz	PGMLZHIPGQZIEO-VQIMIIECSA-N	1	0	364.490	1.146	20	30		FDEDRO
CN(C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CSCC#N)CCC[C@@H]12)C1CC1	ZINC001107289873	904310254	/nfs/dbraw/zinc/31/02/54/904310254.db2.gz	VPEVNNZLSFLFAH-CRAIPNDOSA-N	1	0	364.515	1.225	20	30		FDEDRO
N#CCSCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCC(F)F)CC2	ZINC001107291240	904364811	/nfs/dbraw/zinc/36/48/11/904364811.db2.gz	QMAZKIYCXKBYHA-CZUORRHYSA-N	1	0	361.458	1.886	20	30		FDEDRO
CCCCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107318968	904446790	/nfs/dbraw/zinc/44/67/90/904446790.db2.gz	CKJABCPYRUPUTN-FRQCXROJSA-N	1	0	364.490	1.192	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1c(C)nnn1CC)CC2	ZINC001107330717	904460617	/nfs/dbraw/zinc/46/06/17/904460617.db2.gz	KTBWXECDCUJKGV-IEBWSBKVSA-N	1	0	361.490	1.670	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccc3c(c1)nnn3C)CC2	ZINC001107330594	904460743	/nfs/dbraw/zinc/46/07/43/904460743.db2.gz	FGTXPVOMVIOIQJ-BOUXLOLZSA-N	1	0	366.469	1.989	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(CC)C1CC1)CC2	ZINC001107329178	904493353	/nfs/dbraw/zinc/49/33/53/904493353.db2.gz	LEHMILTUYGLPOP-YLJYHZDGSA-N	1	0	363.502	1.561	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1N(CC(=O)NCC(F)(F)F)CC2	ZINC001107329559	904496627	/nfs/dbraw/zinc/49/66/27/904496627.db2.gz	ZHYVCIOMUBKTCE-YWPYICTPSA-N	1	0	360.380	1.185	20	30		FDEDRO
C=CCOCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(C)C)CC2	ZINC001107350627	904555000	/nfs/dbraw/zinc/55/50/00/904555000.db2.gz	NAIZZVKVGCOEPZ-YLJYHZDGSA-N	1	0	365.518	1.855	20	30		FDEDRO
CCO[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2)C(C)C	ZINC001107402187	904737946	/nfs/dbraw/zinc/73/79/46/904737946.db2.gz	JMEXZLGNBJBJGJ-SZVBFZGTSA-N	1	0	364.490	1.048	20	30		FDEDRO
C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC(C)C)CC2	ZINC001107402756	904739620	/nfs/dbraw/zinc/73/96/20/904739620.db2.gz	RNTYFOYQCWFKMB-MBOZVWFJSA-N	1	0	363.502	1.158	20	30		FDEDRO
C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cc(OC)no1)CC2	ZINC001107404967	904749725	/nfs/dbraw/zinc/74/97/25/904749725.db2.gz	YNGGHAWTNWODLS-VQIMIIECSA-N	1	0	361.442	1.584	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1	ZINC000764472621	904759818	/nfs/dbraw/zinc/75/98/18/904759818.db2.gz	RTMMOZLCAMVHRL-QGZVFWFLSA-N	1	0	351.878	1.947	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3c(Cl)cnn3C)CCC[C@@H]12	ZINC001107407952	904764959	/nfs/dbraw/zinc/76/49/59/904764959.db2.gz	JFZGTIOOBLFJGM-CRAIPNDOSA-N	1	0	364.877	1.698	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCc4c[nH]nc43)CCC[C@@H]12	ZINC001107409516	904771254	/nfs/dbraw/zinc/77/12/54/904771254.db2.gz	WAPIONPPQNXOEL-WAOWUJCRSA-N	1	0	370.497	1.840	20	30		FDEDRO
CO[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC001081540707	904797998	/nfs/dbraw/zinc/79/79/98/904797998.db2.gz	ODXIFUXMWUXZDL-RTBURBONSA-N	1	0	363.421	1.997	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)CNS(=O)(=O)CC)CCC[C@@H]12	ZINC001107426361	904848366	/nfs/dbraw/zinc/84/83/66/904848366.db2.gz	MFTOLPNXTPWHPC-UKRRQHHQSA-N	1	0	363.911	1.039	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)Cn4nccn4)CCC[C@@H]23)cc1	ZINC001107422421	904873007	/nfs/dbraw/zinc/87/30/07/904873007.db2.gz	FRMBJGBVLPMUKN-UYAOXDASSA-N	1	0	364.453	1.711	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3c[nH]cn3)CCC[C@@H]12	ZINC001107432142	904881095	/nfs/dbraw/zinc/88/10/95/904881095.db2.gz	BTOBAIRWYXMNPR-VQIMIIECSA-N	1	0	359.474	1.005	20	30		FDEDRO
CCn1nnc(C)c1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC#CCOC)CC2	ZINC001107433238	904887606	/nfs/dbraw/zinc/88/76/06/904887606.db2.gz	VQLLCCNAXYWUJS-VQIMIIECSA-N	1	0	359.474	1.231	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3(CCOC)CC3)CCC[C@@H]12	ZINC001107434295	904892240	/nfs/dbraw/zinc/89/22/40/904892240.db2.gz	QDGDHPBMUBXYNQ-OXQOHEQNSA-N	1	0	363.502	1.466	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)n3nnnc3C(C)(C)C)CCC[C@@H]12	ZINC001107434205	904892726	/nfs/dbraw/zinc/89/27/26/904892726.db2.gz	OKZPVHLIBWFMMD-QMTMVMCOSA-N	1	0	358.490	1.526	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)Cn3cc(C4CC4)nn3)CCC[C@@H]12	ZINC001107436922	904905695	/nfs/dbraw/zinc/90/56/95/904905695.db2.gz	XYLMSYLPGCKCQI-UYAOXDASSA-N	1	0	371.485	1.166	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cn([C@H](C)COC)nc2C)[C@H](OC)C1	ZINC001081667254	904908798	/nfs/dbraw/zinc/90/87/98/904908798.db2.gz	SSTZTYGIOXMUBJ-KBRIMQKVSA-N	1	0	350.463	1.404	20	30		FDEDRO
CCCC[C@@](C)(F)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107457164	905021611	/nfs/dbraw/zinc/02/16/11/905021611.db2.gz	HGHHAAQACOTADB-ATZDWAIDSA-N	1	0	366.481	1.905	20	30		FDEDRO
N#Cc1ccc(NC(=O)CONC(=[NH2+])[C@@H]2COc3ccccc3O2)cc1	ZINC000764568194	905033213	/nfs/dbraw/zinc/03/32/13/905033213.db2.gz	DUMPCLAREUHZCD-INIZCTEOSA-N	1	0	352.350	1.835	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cccn4nccc34)CCC[C@@H]12	ZINC001107462323	905068505	/nfs/dbraw/zinc/06/85/05/905068505.db2.gz	ZLQVIGZITPDWLZ-TZIWHRDSSA-N	1	0	366.465	1.959	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)CN(C)CC(=O)NC(C)C)CCC[C@@H]12	ZINC001107463817	905072887	/nfs/dbraw/zinc/07/28/87/905072887.db2.gz	FSZIVSYSYXZNEO-YLJYHZDGSA-N	1	0	364.534	1.380	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4nccn4c3)CCC[C@@H]12	ZINC001107469676	905084695	/nfs/dbraw/zinc/08/46/95/905084695.db2.gz	FRIMNZQISSLLLG-YLJYHZDGSA-N	1	0	367.453	1.354	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3cncnc3)CCC[C@@H]12	ZINC001107473455	905125452	/nfs/dbraw/zinc/12/54/52/905125452.db2.gz	WHEXYBQRMAUGTC-YLJYHZDGSA-N	1	0	371.485	1.072	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)[C@H](OC)C1	ZINC001081812436	905136821	/nfs/dbraw/zinc/13/68/21/905136821.db2.gz	SDULAWJUZUAWDX-UAFMIMERSA-N	1	0	374.481	1.925	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ncc(C)cc3C)CCC[C@@H]12	ZINC001107478281	905148888	/nfs/dbraw/zinc/14/88/88/905148888.db2.gz	PHLIJSABABUQBG-DYESRHJHSA-N	1	0	370.497	1.975	20	30		FDEDRO
Cc1ncc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]2C)n1C	ZINC001080332145	905176395	/nfs/dbraw/zinc/17/63/95/905176395.db2.gz	KMCUPZAIXJSVDK-RDTXWAMCSA-N	1	0	367.453	1.881	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3(C4CC4)CCC3)CCC[C@@H]12	ZINC001107489065	905214802	/nfs/dbraw/zinc/21/48/02/905214802.db2.gz	KMFLCNUQKCLJDN-VQIMIIECSA-N	1	0	358.486	1.567	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3c(C)cnn3C)CCC[C@@H]12	ZINC001107500387	905240052	/nfs/dbraw/zinc/24/00/52/905240052.db2.gz	AVGTXSDRVCAQCX-DNVCBOLYSA-N	1	0	359.474	1.005	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc[nH]c3CCC)CCC[C@@H]12	ZINC001107514774	905309341	/nfs/dbraw/zinc/30/93/41/905309341.db2.gz	VYNAXZNTXFFCJK-WIYYLYMNSA-N	1	0	370.497	1.691	20	30		FDEDRO
CC1(C)CC(CC(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)C1	ZINC001107515134	905312917	/nfs/dbraw/zinc/31/29/17/905312917.db2.gz	NIDWPLRAERUVIX-OXQOHEQNSA-N	1	0	360.502	1.813	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccoc3C3CC3)CCC[C@@H]12	ZINC001107518091	905325110	/nfs/dbraw/zinc/32/51/10/905325110.db2.gz	MMFIPRSCPXQRSO-DYESRHJHSA-N	1	0	369.465	1.881	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4nonc4c3)CCC[C@@H]12	ZINC001107528471	905390539	/nfs/dbraw/zinc/39/05/39/905390539.db2.gz	XAYNRMQDIOCTLM-UYAOXDASSA-N	1	0	368.437	1.847	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3F)C[C@H]2C)C1	ZINC001080446252	905448567	/nfs/dbraw/zinc/44/85/67/905448567.db2.gz	FQWMAXAUPQGBEY-SPYBWZPUSA-N	1	0	358.461	1.976	20	30		FDEDRO
CC1(C)CC[C@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)C1	ZINC001107540561	905452639	/nfs/dbraw/zinc/45/26/39/905452639.db2.gz	SHPBDUUTXYSQMP-RZQQEMMASA-N	1	0	360.502	1.813	20	30		FDEDRO
C#CCN(C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)C1CC1	ZINC000764721860	905479541	/nfs/dbraw/zinc/47/95/41/905479541.db2.gz	QDOFJTZBPUGGLW-UHFFFAOYSA-N	1	0	356.474	1.186	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)nnn3C)C[C@H]1C	ZINC001080471014	905490954	/nfs/dbraw/zinc/49/09/54/905490954.db2.gz	KFHKQRRUEUSMAK-VWMOJTHMSA-N	1	0	369.469	1.496	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1	ZINC001082018581	905576836	/nfs/dbraw/zinc/57/68/36/905576836.db2.gz	JMMDRFFUGIJFJZ-RTBURBONSA-N	1	0	370.497	1.748	20	30		FDEDRO
CN(C)C(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccc(C#N)c1)CC2	ZINC001107569495	905690801	/nfs/dbraw/zinc/69/08/01/905690801.db2.gz	BCWLKWUDWDRVLC-WIYYLYMNSA-N	1	0	368.481	1.897	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cnc(C)nc3C)CCC[C@@H]12	ZINC001107582067	905744504	/nfs/dbraw/zinc/74/45/04/905744504.db2.gz	VDYGFRHYAULFRV-YLJYHZDGSA-N	1	0	371.485	1.370	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1nc2ncccn2n1	ZINC001080645002	905827169	/nfs/dbraw/zinc/82/71/69/905827169.db2.gz	OJBMCRHHIKHZML-CZUORRHYSA-N	1	0	361.409	1.246	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccnc(C)c3)CCC[C@@H]12	ZINC001107586354	905834004	/nfs/dbraw/zinc/83/40/04/905834004.db2.gz	RNWOOLIOMSLUNR-YLJYHZDGSA-N	1	0	356.470	1.667	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CCCS(=O)(=O)C3)CCC[C@@H]12	ZINC001107599464	905903827	/nfs/dbraw/zinc/90/38/27/905903827.db2.gz	GABYMXDJGYXTQL-JFIYKMOQSA-N	1	0	354.516	1.748	20	30		FDEDRO
COCCC[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107600914	905911965	/nfs/dbraw/zinc/91/19/65/905911965.db2.gz	FZFDHUMJTFPCPT-FRQCXROJSA-N	1	0	364.490	1.050	20	30		FDEDRO
CO[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1	ZINC001082138216	905958134	/nfs/dbraw/zinc/95/81/34/905958134.db2.gz	UESOGBFVOVCYSN-RTBURBONSA-N	1	0	370.497	1.606	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(C)c2)C[C@H]1OC	ZINC001082149834	905994641	/nfs/dbraw/zinc/99/46/41/905994641.db2.gz	QRYNPJUMMIKOLQ-FTEYMNFISA-N	1	0	374.481	1.910	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)c3ccccc3)CCC[C@@H]12	ZINC001107616901	906012679	/nfs/dbraw/zinc/01/26/79/906012679.db2.gz	QCQDFVQZMDRTAH-WIYYLYMNSA-N	1	0	353.466	1.801	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)CCC(=O)N3CCOCC3)CCC[C@@H]12	ZINC001107625428	906038071	/nfs/dbraw/zinc/03/80/71/906038071.db2.gz	YTZHLHDFUVIDKE-YLJYHZDGSA-N	1	0	363.502	1.562	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)Cc3ccccc3)CCC[C@@H]12	ZINC001107625594	906039899	/nfs/dbraw/zinc/03/98/99/906039899.db2.gz	DEMXPDBEJARTKJ-DENIHFKCSA-N	1	0	367.493	1.729	20	30		FDEDRO
C#Cc1ccccc1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC)CC2	ZINC001107620904	906059364	/nfs/dbraw/zinc/05/93/64/906059364.db2.gz	DNYZXWUIXCTQNQ-WIYYLYMNSA-N	1	0	353.466	1.317	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)CC[C@H]3NC(=O)NC3=O)CCC[C@@H]12	ZINC001107627947	906097749	/nfs/dbraw/zinc/09/77/49/906097749.db2.gz	JKHPNXHEWHGGTQ-PBFPGSCMSA-N	1	0	368.865	1.088	20	30		FDEDRO
CC[C@H](C)C(=O)NCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC#CCOC)CC2	ZINC001107637032	906138890	/nfs/dbraw/zinc/13/88/90/906138890.db2.gz	QQEYHWSCWVWBJS-SQGPQFPESA-N	1	0	363.502	1.159	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3ccc(-n4cccn4)cc3)C[C@H]2O)C1	ZINC001077645763	906175054	/nfs/dbraw/zinc/17/50/54/906175054.db2.gz	WEKDPISSFHQWGQ-RTBURBONSA-N	1	0	366.465	1.890	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)OCCOCC)CCC[C@@H]12	ZINC001107641940	906209854	/nfs/dbraw/zinc/20/98/54/906209854.db2.gz	IWFSUIIZTJFYNF-NLWGTHIKSA-N	1	0	368.518	1.991	20	30		FDEDRO
C=CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC(C)C)CC2	ZINC001107651209	906231217	/nfs/dbraw/zinc/23/12/17/906231217.db2.gz	UPBNTSCTSQEJCN-MBOZVWFJSA-N	1	0	365.518	1.711	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)Cc3ccc(C(N)=O)cc3)CCC[C@@H]12	ZINC001107648537	906277386	/nfs/dbraw/zinc/27/73/86/906277386.db2.gz	LEJIMEWCJZTQGH-WIYYLYMNSA-N	1	0	353.466	1.712	20	30		FDEDRO
C=CCCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(C)C(C)C)CC2	ZINC001107648917	906281688	/nfs/dbraw/zinc/28/16/88/906281688.db2.gz	AAMDYJMCJWWXBS-YLJYHZDGSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@H]2OC)nn1	ZINC001082212944	906295386	/nfs/dbraw/zinc/29/53/86/906295386.db2.gz	HJUQVFWVJAFDBA-NVXWUHKLSA-N	1	0	359.474	1.473	20	30		FDEDRO
CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C	ZINC001080812999	906372669	/nfs/dbraw/zinc/37/26/69/906372669.db2.gz	CMRVJNHPFBFDGJ-ZMYBRWDISA-N	1	0	354.454	1.506	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1C	ZINC001080851596	906446009	/nfs/dbraw/zinc/44/60/09/906446009.db2.gz	REWNTAQBDYVMNS-ATZDWAIDSA-N	1	0	353.466	1.268	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)CCC[NH+](C)C	ZINC001082303074	906686370	/nfs/dbraw/zinc/68/63/70/906686370.db2.gz	LPJPXLSBZPSMAT-BBWFWOEESA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)Cc3c(C)noc3C)C2)C1=O	ZINC001080928667	906705396	/nfs/dbraw/zinc/70/53/96/906705396.db2.gz	VINKMHBQAYVAPP-CSMYWGQOSA-N	1	0	360.458	1.057	20	30		FDEDRO
COc1ccc(C#N)cc1CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1	ZINC001080935479	906725153	/nfs/dbraw/zinc/72/51/53/906725153.db2.gz	WMWNBGCITJBXCU-UWWQBHOKSA-N	1	0	356.470	1.455	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C(=O)N(C)C)cc2)[C@H](OC)C1	ZINC001082330885	906798684	/nfs/dbraw/zinc/79/86/84/906798684.db2.gz	OYQRTTIUVXQRSL-QZTJIDSGSA-N	1	0	359.470	1.784	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]CCn2c(C)csc2=O)CC1	ZINC000997010851	906923600	/nfs/dbraw/zinc/92/36/00/906923600.db2.gz	CKIXSJXDTWNXTI-CVEARBPZSA-N	1	0	365.499	1.390	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+][C@H]2CCN(C3CCC3)C2=O)CC1	ZINC000997010928	906923668	/nfs/dbraw/zinc/92/36/68/906923668.db2.gz	DOHIFEMVCXGOAR-SQNIBIBYSA-N	1	0	361.486	1.312	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3ccc(C#N)s3)C[C@H]2C)CC1	ZINC001080997611	906971199	/nfs/dbraw/zinc/97/11/99/906971199.db2.gz	GVUMUTASXGTKHQ-DNVCBOLYSA-N	1	0	370.522	1.901	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3cc(C)n(C)n3)C[C@H]2C)CC1	ZINC001080998151	906975593	/nfs/dbraw/zinc/97/55/93/906975593.db2.gz	VALXBSDUYZGOBX-DNVCBOLYSA-N	1	0	357.502	1.010	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3cc(C4CC4)no3)C[C@H]2C)CC1	ZINC001080998154	906975724	/nfs/dbraw/zinc/97/57/24/906975724.db2.gz	VDUKBTJFIGZBBI-FOIQADDNSA-N	1	0	370.497	1.834	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCc2ccnn2C)C1	ZINC001081098388	907162454	/nfs/dbraw/zinc/16/24/54/907162454.db2.gz	AIJQKJRRWSZUQN-AYOQOUSVSA-N	1	0	351.454	1.706	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3nncn3CC2)C[C@H]1c1ccccc1	ZINC001081148501	907261107	/nfs/dbraw/zinc/26/11/07/907261107.db2.gz	MYWBHVGFDMWHBQ-CEXWTWQISA-N	1	0	363.465	1.448	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1c1ccccc1	ZINC001081148444	907261177	/nfs/dbraw/zinc/26/11/77/907261177.db2.gz	KBOIWNBDLIHGCB-ZWKOTPCHSA-N	1	0	369.469	1.132	20	30		FDEDRO
N#CCN[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1c1ccccc1	ZINC001081151976	907266011	/nfs/dbraw/zinc/26/60/11/907266011.db2.gz	XPJKKBXDNIVHJM-ZCNNSNEGSA-N	1	0	352.482	1.969	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)C[C@H]1c1ccccc1	ZINC001081160043	907279668	/nfs/dbraw/zinc/27/96/68/907279668.db2.gz	QKKMOTGFSCQHSO-ARFHVFGLSA-N	1	0	362.861	1.347	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCS2(=O)=O)C[C@H]1c1ccccc1	ZINC001081125814	907305698	/nfs/dbraw/zinc/30/56/98/907305698.db2.gz	RQTDELDVLHTBRP-RCCFBDPRSA-N	1	0	362.495	1.724	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCO)C1	ZINC001081215502	907325120	/nfs/dbraw/zinc/32/51/20/907325120.db2.gz	MDRKHBQXFDOZLT-RBUKOAKNSA-N	1	0	365.433	1.284	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2c(C)nc(C)[nH]c2=O)C[C@H]1c1ccccc1	ZINC001081227192	907341896	/nfs/dbraw/zinc/34/18/96/907341896.db2.gz	VNOPXIPXHDIQTR-RBUKOAKNSA-N	1	0	364.449	1.559	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2cnn(C)c2)C[C@H]1c1ccccc1	ZINC001081204855	907393341	/nfs/dbraw/zinc/39/33/41/907393341.db2.gz	GOSGZZFOWBFNPL-FFZOFVMBSA-N	1	0	350.466	1.816	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cn2c(C)cc(C)nc2=O)C[C@H]1c1ccccc1	ZINC001081205775	907394871	/nfs/dbraw/zinc/39/48/71/907394871.db2.gz	XRAYTKMDJRQDOZ-RBUKOAKNSA-N	1	0	364.449	1.078	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082426182	907667944	/nfs/dbraw/zinc/66/79/44/907667944.db2.gz	ZSUQOIFKYLLSAE-CXAGYDPISA-N	1	0	356.405	1.316	20	30		FDEDRO
C[C@H](CN1CCOCC1)[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000921544304	907723485	/nfs/dbraw/zinc/72/34/85/907723485.db2.gz	JELMYTLVTYCCLV-MRXNPFEDSA-N	1	0	354.458	1.669	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCOC2)C[C@H]1C	ZINC001082442956	907786784	/nfs/dbraw/zinc/78/67/84/907786784.db2.gz	ICFRIWZERSIPGM-QGPMSJSTSA-N	1	0	357.454	1.930	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3nnn(C)c3C)C[C@H]2C)cc1C#N	ZINC001082456819	907858888	/nfs/dbraw/zinc/85/88/88/907858888.db2.gz	JUYLFQCZHFPCHS-MLGOLLRUSA-N	1	0	368.441	1.254	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1[NH2+]Cc1cn(C)nc1C(F)F	ZINC001082483850	907907832	/nfs/dbraw/zinc/90/78/32/907907832.db2.gz	OHEPBQYXFOKYSN-QMTHXVAHSA-N	1	0	362.384	1.808	20	30		FDEDRO
Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)ncn1	ZINC001082478680	907945300	/nfs/dbraw/zinc/94/53/00/907945300.db2.gz	MUYAAJAEBSDPMM-AUUYWEPGSA-N	1	0	365.437	1.938	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082485895	907976726	/nfs/dbraw/zinc/97/67/26/907976726.db2.gz	HVKGABLOWRZZHP-BDJLRTHQSA-N	1	0	356.405	1.263	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C)c3)C[C@H]2O)cc1	ZINC001077795511	907991705	/nfs/dbraw/zinc/99/17/05/907991705.db2.gz	LHXQBVAGOOXNSL-NHCUHLMSSA-N	1	0	364.445	1.982	20	30		FDEDRO
Cc1cn(C)nc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC001082505894	908127559	/nfs/dbraw/zinc/12/75/59/908127559.db2.gz	QCQKQRHOSXALAI-SJKOYZFVSA-N	1	0	355.417	1.990	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3ccn(C)n3)C[C@H]2C)cc1C#N	ZINC001082506621	908135528	/nfs/dbraw/zinc/13/55/28/908135528.db2.gz	VNDLCSUMZAWAPI-RDTXWAMCSA-N	1	0	367.453	1.480	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)CC1	ZINC000997348745	908280596	/nfs/dbraw/zinc/28/05/96/908280596.db2.gz	QTSNLCCWCPHUEP-BHIYHBOVSA-N	1	0	358.486	1.528	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCc3ncnn32)C1	ZINC001082533613	908299662	/nfs/dbraw/zinc/29/96/62/908299662.db2.gz	OHXDUBVWGUJUNE-MRVWCRGKSA-N	1	0	351.882	1.981	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccnn3C(F)F)C[C@H]2C)C1=O	ZINC001082533704	908302314	/nfs/dbraw/zinc/30/23/14/908302314.db2.gz	VIWHJKGKRJETRD-FRRDWIJNSA-N	1	0	367.400	1.115	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)ccc3C)C[C@H]2O)nn1	ZINC001077801423	908305970	/nfs/dbraw/zinc/30/59/70/908305970.db2.gz	RDJQMAHJQGBUCM-SJLPKXTDSA-N	1	0	355.442	1.056	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)/C=C(\C)C2CC2)CC1	ZINC000997356757	908311598	/nfs/dbraw/zinc/31/15/98/908311598.db2.gz	FSYPHLJDXGBNPG-KJZDPDCVSA-N	1	0	369.509	1.936	20	30		FDEDRO
C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)C#Cc2ccccc2)c1	ZINC000765726735	908327809	/nfs/dbraw/zinc/32/78/09/908327809.db2.gz	WCLPLKUGTZEEBG-UHFFFAOYSA-N	1	0	371.462	1.517	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cncc(OC)n2)C1	ZINC001082561848	908630370	/nfs/dbraw/zinc/63/03/70/908630370.db2.gz	VSAPSVSWXLIELV-GDBMZVCRSA-N	1	0	355.442	1.723	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082562973	908649052	/nfs/dbraw/zinc/64/90/52/908649052.db2.gz	XPMKCGIXFVDLSP-SJKOYZFVSA-N	1	0	369.400	1.537	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082568993	908715456	/nfs/dbraw/zinc/71/54/56/908715456.db2.gz	CYSYJJPVVUNPCW-SJKOYZFVSA-N	1	0	369.400	1.041	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082569954	908723520	/nfs/dbraw/zinc/72/35/20/908723520.db2.gz	ONXKVQQOBWBTNF-OBQMCUGOSA-N	1	0	361.417	1.438	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCCNC3=O)C[C@H]2C)cc1C#N	ZINC001082576030	908742043	/nfs/dbraw/zinc/74/20/43/908742043.db2.gz	MFMNAISXPCFMBG-XOKHGSTOSA-N	1	0	370.453	1.030	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)Cc2cnccc2OC)C[C@H]1C	ZINC001082590685	908849475	/nfs/dbraw/zinc/84/94/75/908849475.db2.gz	JTTFOSRUQUQHCU-BXUZGUMPSA-N	1	0	368.275	1.978	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082583381	908885622	/nfs/dbraw/zinc/88/56/22/908885622.db2.gz	PDQFQTMCUIKPCZ-CXAGYDPISA-N	1	0	367.409	1.335	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCN(C)C(=O)C2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082599419	908956705	/nfs/dbraw/zinc/95/67/05/908956705.db2.gz	PLNRHFBCQDPCJV-FHLIZLRMSA-N	1	0	354.454	1.363	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnnn3C)C2)cc1	ZINC001082600233	908962185	/nfs/dbraw/zinc/96/21/85/908962185.db2.gz	IUTNKNXTRRKPKQ-RDTXWAMCSA-N	1	0	355.442	1.630	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cncc3C2)C[C@H]1C	ZINC001082601358	908967495	/nfs/dbraw/zinc/96/74/95/908967495.db2.gz	XXPRFVWBQKCNKA-OSAQELSMSA-N	1	0	367.291	1.791	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)[C@H](OC)C1	ZINC001212354924	909078358	/nfs/dbraw/zinc/07/83/58/909078358.db2.gz	NEDIQDNELQIHQT-KZNAEPCWSA-N	1	0	365.518	1.805	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@@H]1CC[N@@H+](C)C1	ZINC000997542329	909088392	/nfs/dbraw/zinc/08/83/92/909088392.db2.gz	BVBRSBIZUKQHID-MHORFTMASA-N	1	0	370.497	1.878	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCNC(=O)C2CC2)[C@H](OC)C1	ZINC001212365755	909214273	/nfs/dbraw/zinc/21/42/73/909214273.db2.gz	JRQSDKMOCQTZCU-USXIJHARSA-N	1	0	351.491	1.463	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)ccc2=O)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082635758	909229624	/nfs/dbraw/zinc/22/96/24/909229624.db2.gz	XPQUWDPMEVSPJY-FZKQIMNGSA-N	1	0	368.412	1.646	20	30		FDEDRO
C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)CC1	ZINC000997624696	909318824	/nfs/dbraw/zinc/31/88/24/909318824.db2.gz	XKGNGQAFRLRQAQ-IPELMVKDSA-N	1	0	358.486	1.738	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccc(=O)[nH]c2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082648928	909336330	/nfs/dbraw/zinc/33/63/30/909336330.db2.gz	GVQKGNBLMKBIQA-FZKQIMNGSA-N	1	0	368.412	1.977	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082660385	909379946	/nfs/dbraw/zinc/37/99/46/909379946.db2.gz	XVNNZPDIEPBZDY-SMNXXWJPSA-N	1	0	358.417	1.160	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ncc(C)cc3C)C[C@H]2C)C1=O	ZINC001082655832	909407683	/nfs/dbraw/zinc/40/76/83/909407683.db2.gz	GFXUJMBYVBGDCB-IXDOHACOSA-N	1	0	356.470	1.535	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082658058	909424287	/nfs/dbraw/zinc/42/42/87/909424287.db2.gz	KEWUMJQPZDBRIE-RBUQIHAASA-N	1	0	369.465	1.546	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccccc2Cl)C[C@@H]1O	ZINC001083790189	909519066	/nfs/dbraw/zinc/51/90/66/909519066.db2.gz	TUMBZJDZQLQPAX-SIXLDLHFSA-N	1	0	350.846	1.592	20	30		FDEDRO
Cc1noc(CCC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)n1	ZINC001082674858	909525247	/nfs/dbraw/zinc/52/52/47/909525247.db2.gz	GCTBWJRDVGYLAU-CXAGYDPISA-N	1	0	353.426	1.819	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@H]3CCNC(=O)CC3)C2)cc1	ZINC001082678389	909559695	/nfs/dbraw/zinc/55/96/95/909559695.db2.gz	SDFHVDRCCPANRN-SZVBFZGTSA-N	1	0	353.466	1.634	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cncc(OC)n3)C2)cc1	ZINC001082678509	909561939	/nfs/dbraw/zinc/56/19/39/909561939.db2.gz	BJNFSPRJIXKKNX-RDTXWAMCSA-N	1	0	350.422	1.717	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCC[C@@H](C)C3)C2)cc1	ZINC001082678422	909561999	/nfs/dbraw/zinc/56/19/99/909561999.db2.gz	VBJFOXAGTWTEAR-MBOZVWFJSA-N	1	0	367.493	1.977	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(=O)n3nccc3[nH]2)C1	ZINC001082682124	909601093	/nfs/dbraw/zinc/60/10/93/909601093.db2.gz	XHTUVHZXLVINAD-UKRRQHHQSA-N	1	0	357.458	1.561	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cncnc2)C[C@H]1C	ZINC001082702271	909620004	/nfs/dbraw/zinc/62/00/04/909620004.db2.gz	WMKRYVKHAJVPER-SCDSUCTJSA-N	1	0	353.264	1.925	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082692644	909631630	/nfs/dbraw/zinc/63/16/30/909631630.db2.gz	HWDSIXFJKIJZDW-CSMYWGQOSA-N	1	0	358.417	1.112	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2c(C)cnn2C)C[C@H]1C	ZINC001082693422	909635710	/nfs/dbraw/zinc/63/57/10/909635710.db2.gz	UMKCUMQTTPCYIP-RHSMWYFYSA-N	1	0	367.453	1.859	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCN2CCCC2=O)CC1	ZINC000997760820	909637032	/nfs/dbraw/zinc/63/70/32/909637032.db2.gz	JODMYVZIJSKCBT-JQHSSLGASA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2csnn2)CC1	ZINC000997780524	909682907	/nfs/dbraw/zinc/68/29/07/909682907.db2.gz	BUMDGAOCHDJAGY-CVEARBPZSA-N	1	0	350.488	1.848	20	30		FDEDRO
Cc1ncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)n1C	ZINC001082705662	909718432	/nfs/dbraw/zinc/71/84/32/909718432.db2.gz	RZWQYKPYBHZPRM-SJKOYZFVSA-N	1	0	355.417	1.990	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc[nH]c3C3CC3)C[C@H]2C)C1=O	ZINC001082709125	909750474	/nfs/dbraw/zinc/75/04/74/909750474.db2.gz	ITSHZCLLSVKYML-XOKHGSTOSA-N	1	0	356.470	1.729	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(=O)n3nccc3[nH]2)C1	ZINC001082722107	909829862	/nfs/dbraw/zinc/82/98/62/909829862.db2.gz	XXTCBRWOSLWNNZ-MUKKUYKPSA-N	1	0	357.458	1.561	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)NC(C)(C)C2=O)C1	ZINC001082722700	909833395	/nfs/dbraw/zinc/83/33/95/909833395.db2.gz	DBYPABRFCQPOAV-PJIJBLCYSA-N	1	0	364.490	1.356	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc(=O)n2C)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082731864	909878072	/nfs/dbraw/zinc/87/80/72/909878072.db2.gz	CHOCEOMHENMFBD-CXAGYDPISA-N	1	0	368.412	1.646	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082744316	909964741	/nfs/dbraw/zinc/96/47/41/909964741.db2.gz	DRQMRONTFXQUGQ-RDTXWAMCSA-N	1	0	352.442	1.256	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082745157	909968992	/nfs/dbraw/zinc/96/89/92/909968992.db2.gz	FYLRDAAYKOFYNQ-FZKQIMNGSA-N	1	0	370.432	1.395	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cncc(OC)n2)C[C@H]1C	ZINC001082785534	910084349	/nfs/dbraw/zinc/08/43/49/910084349.db2.gz	KMFGVPOXIPWWNM-BXKDBHETSA-N	1	0	355.236	1.444	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnnn3C)C2)cc1	ZINC001082789367	910151676	/nfs/dbraw/zinc/15/16/76/910151676.db2.gz	CGXSXSHSAFPDTK-RDTXWAMCSA-N	1	0	353.426	1.077	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnc(C)s3)C2)nn1	ZINC001082795662	910180308	/nfs/dbraw/zinc/18/03/08/910180308.db2.gz	CHBZXUIHWYWQQB-IUODEOHRSA-N	1	0	360.487	1.869	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnccc3C)C2)nn1	ZINC001082796033	910183863	/nfs/dbraw/zinc/18/38/63/910183863.db2.gz	PYAGDKNZCBQUPB-NVXWUHKLSA-N	1	0	354.458	1.808	20	30		FDEDRO
Cc1c[nH]c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)n1	ZINC001082794038	910204542	/nfs/dbraw/zinc/20/45/42/910204542.db2.gz	UPRMKICJJHONKJ-CXAGYDPISA-N	1	0	353.426	1.871	20	30		FDEDRO
C=CCC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@@H]1CCO[C@H]1CC)CC2	ZINC001128019511	910378973	/nfs/dbraw/zinc/37/89/73/910378973.db2.gz	GKFDNNLRKSWYPR-XHSDSOJGSA-N	1	0	361.490	1.580	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cnnn2C)CC1	ZINC000998138389	910447302	/nfs/dbraw/zinc/44/73/02/910447302.db2.gz	HJGVRRZLGXMAKR-ROUUACIJSA-N	1	0	361.490	1.515	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[NH2+][C@@H](C)c2nncn2C)CC1	ZINC000998149284	910472488	/nfs/dbraw/zinc/47/24/88/910472488.db2.gz	WKGXTKARNWSMGS-XIRDDKMYSA-N	1	0	361.490	1.686	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H]3CCN(C(C)C)C3=O)C2)cn1	ZINC001082871130	910521419	/nfs/dbraw/zinc/52/14/19/910521419.db2.gz	ZYPJRFMIKYRXRO-ZTFGCOKTSA-N	1	0	354.454	1.122	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082868569	910563636	/nfs/dbraw/zinc/56/36/36/910563636.db2.gz	IBLANKFXHQHVTP-FZKQIMNGSA-N	1	0	368.412	1.646	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1	ZINC001032625535	910819833	/nfs/dbraw/zinc/81/98/33/910819833.db2.gz	SBQJJKPFHRWSAU-FJIDUMEYSA-N	1	0	361.486	1.408	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cnn(C)c2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082940388	911008535	/nfs/dbraw/zinc/00/85/35/911008535.db2.gz	SZGKNSDTCDXXEK-DNVCBOLYSA-N	1	0	351.454	1.861	20	30		FDEDRO
CCn1nc(C)c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3F)C2)n1	ZINC001082961593	911180790	/nfs/dbraw/zinc/18/07/90/911180790.db2.gz	DLTLWPQBFPIHKL-SJKOYZFVSA-N	1	0	370.432	1.868	20	30		FDEDRO
O=C(C#CC1CC1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2	ZINC000998544905	911201769	/nfs/dbraw/zinc/20/17/69/911201769.db2.gz	SGZICTUCTGYZCW-DOADOZAASA-N	1	0	355.482	1.522	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C	ZINC001212409452	911771677	/nfs/dbraw/zinc/77/16/77/911771677.db2.gz	GEVNLMNUYASWCX-GUDVDZBRSA-N	1	0	356.470	1.214	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](CC)[NH+](C)C)cn1	ZINC000998951259	911902075	/nfs/dbraw/zinc/90/20/75/911902075.db2.gz	XLBDBSJDPJBPDM-XDNAFOTISA-N	1	0	354.454	1.265	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccnc(-n4cccc4)c3)[C@H]2C1	ZINC001083113764	911909009	/nfs/dbraw/zinc/90/90/09/911909009.db2.gz	UGVUKSGLXIERKV-ZWKOTPCHSA-N	1	0	352.438	1.974	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CCO[C@@H]3C[N@@H+](C[C@@H](C)OC)C[C@@H]32)cc1	ZINC001083123856	911917421	/nfs/dbraw/zinc/91/74/21/911917421.db2.gz	WWLUJGLPSYKRPC-AYOQOUSVSA-N	1	0	360.454	1.812	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3cn4c(n3)CC[C@@H](C)C4)[C@H]2C1	ZINC001083120123	911928477	/nfs/dbraw/zinc/92/84/77/911928477.db2.gz	AFHIBOAINNMBNG-BPQIPLTHSA-N	1	0	358.486	1.957	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)C(C)=C4CCC4)[C@H]3C2)C1=O	ZINC001083078437	911938860	/nfs/dbraw/zinc/93/88/60/911938860.db2.gz	CNJGJEWFAANJQT-OKZBNKHCSA-N	1	0	359.470	1.185	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCOC3CCC3)C[C@@H]21	ZINC001083085497	911956369	/nfs/dbraw/zinc/95/63/69/911956369.db2.gz	VXRMREAVVPSBSC-YDZRNGNQSA-N	1	0	364.486	1.448	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)[C@H]2C1	ZINC001083091950	911975676	/nfs/dbraw/zinc/97/56/76/911975676.db2.gz	KNTIKTWGVMYUOF-FGTMMUONSA-N	1	0	361.486	1.123	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)Cn3nc(C)cc3C(F)F)[C@H]2C1	ZINC001083092911	911979129	/nfs/dbraw/zinc/97/91/29/911979129.db2.gz	HMOXMWRGAQJWHH-LSDHHAIUSA-N	1	0	354.401	1.617	20	30		FDEDRO
N#CCNC(=O)COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1	ZINC000733529758	921709231	/nfs/dbraw/zinc/70/92/31/921709231.db2.gz	FIIOYOHMXYNQAQ-MRXNPFEDSA-N	1	0	369.343	1.624	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)COc3ccc(OC)c(C)c3)[C@H]2C1	ZINC001083105240	912038767	/nfs/dbraw/zinc/03/87/67/912038767.db2.gz	PXYFOGHYEXMHDX-PKOBYXMFSA-N	1	0	360.454	1.870	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccccc2O)C1=O	ZINC001085138294	921712515	/nfs/dbraw/zinc/71/25/15/921712515.db2.gz	XYCDNWIQHFYFQU-ZACQAIPSSA-N	1	0	357.454	1.810	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCCCC2)C1	ZINC000999183641	912193166	/nfs/dbraw/zinc/19/31/66/912193166.db2.gz	VWYXNFBPVVHUGR-KURKYZTESA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)/C(=C/c2ccc(F)cc2)n2nnnc2C)CC1	ZINC000729977138	915900289	/nfs/dbraw/zinc/90/02/89/915900289.db2.gz	JWFJSDHQFLYJFW-AQTBWJFISA-N	1	0	370.432	1.885	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3CC[N@@H+](CC4CC(F)(F)C4)C[C@H]32)nn1	ZINC001084708563	916391889	/nfs/dbraw/zinc/39/18/89/916391889.db2.gz	JSGGJLMPHXBJJN-UKRRQHHQSA-N	1	0	351.401	1.656	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3CC[N@@H+](C[C@@H](O)c4ccccc4)C[C@H]32)nn1	ZINC001084709306	916400341	/nfs/dbraw/zinc/40/03/41/916400341.db2.gz	VSSFYSBVXNVLGY-BHIYHBOVSA-N	1	0	367.453	1.344	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4ccnc4)nn3)[C@@H]2C1	ZINC001084718263	916478412	/nfs/dbraw/zinc/47/84/12/916478412.db2.gz	DZHISAAAOSNYJS-NVXWUHKLSA-N	1	0	352.442	1.775	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(C4CCOCC4)nn3)[C@@H]2C1	ZINC001084761872	916902071	/nfs/dbraw/zinc/90/20/71/916902071.db2.gz	ASHLNKXFGLGHCI-CRAIPNDOSA-N	1	0	359.474	1.742	20	30		FDEDRO
C=C(C)CCC(=O)NC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCO1	ZINC001065210126	917212985	/nfs/dbraw/zinc/21/29/85/917212985.db2.gz	ASDZJIPKMOWLHH-YESZJQIVSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=C(C)CNC(=S)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000730950966	917515408	/nfs/dbraw/zinc/51/54/08/917515408.db2.gz	RHWLYPJMWUAOCQ-KRWDZBQOSA-N	1	0	360.527	1.924	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)C4CCOCC4)C[C@@H]32)C1=O	ZINC001084878698	917948145	/nfs/dbraw/zinc/94/81/45/917948145.db2.gz	HHVDDGKQTLBYME-SZMVWBNQSA-N	1	0	361.486	1.123	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(=O)[nH]n3)C[C@@H]21	ZINC001084883887	917971591	/nfs/dbraw/zinc/97/15/91/917971591.db2.gz	JEHHWSLPBAYTTG-KDOFPFPSSA-N	1	0	363.421	1.790	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4COCCO4)C[C@@H]32)cc1	ZINC001084894639	918073990	/nfs/dbraw/zinc/07/39/90/918073990.db2.gz	PXHZTRFLWYQJTO-QYZOEREBSA-N	1	0	355.438	1.396	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(NC(=O)/C=C/c2ccccc2C#N)CC1	ZINC000731479618	918155504	/nfs/dbraw/zinc/15/55/04/918155504.db2.gz	ZQYNZPKGMHDNLG-BQYQJAHWSA-N	1	0	354.454	1.630	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H]2CC[N@H+](Cc3ccc(C(=O)N(C)C)cc3)[C@H]2C1	ZINC001084904624	918185642	/nfs/dbraw/zinc/18/56/42/918185642.db2.gz	QVFWGDUDGRCHPK-SUMDDJOVSA-N	1	0	368.481	1.971	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H]2CC[N@H+](Cc3cccc(C(=O)N(C)C)c3)[C@H]2C1	ZINC001084904935	918188828	/nfs/dbraw/zinc/18/88/28/918188828.db2.gz	KUTJKSQAUGGBMA-SUMDDJOVSA-N	1	0	368.481	1.971	20	30		FDEDRO
c1ccc(OCCCNN=C2CC[NH+](CCN3CCOCC3)CC2)cc1	ZINC000731558020	918198574	/nfs/dbraw/zinc/19/85/74/918198574.db2.gz	HROACNRTFPDKHP-UHFFFAOYSA-N	1	0	360.502	1.829	20	30		FDEDRO
CC1CCN(C(=O)C[N@@H+]2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)CC1	ZINC001084937612	918577970	/nfs/dbraw/zinc/57/79/70/918577970.db2.gz	LJSWRUTWXHUYMF-MOPGFXCFSA-N	1	0	357.498	1.581	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc([C@@H]4CCCN4C)[nH]n3)C[C@@H]21	ZINC001084946441	918660629	/nfs/dbraw/zinc/66/06/29/918660629.db2.gz	LJBOCAJHURJONR-MNEFBYGVSA-N	1	0	355.486	1.736	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(C(CC)CC)C3)C[C@@H]21	ZINC001084952105	918718085	/nfs/dbraw/zinc/71/80/85/918718085.db2.gz	WHDYPMKJVZIECI-LMMKCTJWSA-N	1	0	359.514	1.970	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(CCOC)C3)C[C@@H]21	ZINC001084952197	918721894	/nfs/dbraw/zinc/72/18/94/918721894.db2.gz	CXIIZCCVFFXYIJ-SQNIBIBYSA-N	1	0	363.502	1.370	20	30		FDEDRO
CC(=NNC(=S)NCCC[NH+](C)C)c1ccc(NS(C)(=O)=O)cc1	ZINC000731930704	918852142	/nfs/dbraw/zinc/85/21/42/918852142.db2.gz	INFQPFKTIDEATR-UHFFFAOYSA-N	1	0	371.532	1.198	20	30		FDEDRO
CC(C)(C(N)=O)C(=O)N1CC[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@H]2C1	ZINC001084963853	918900140	/nfs/dbraw/zinc/90/01/40/918900140.db2.gz	CMAHCPIGUPEQDZ-SJORKVTESA-N	1	0	354.454	1.493	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)CC1	ZINC000820478047	918912576	/nfs/dbraw/zinc/91/25/76/918912576.db2.gz	NCTBKDXDESBGGQ-UHFFFAOYSA-N	1	0	371.268	1.885	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3nnc(-c4ccco4)n3)C[C@@H]21	ZINC001084977844	919052850	/nfs/dbraw/zinc/05/28/50/919052850.db2.gz	IFSILHPKHFHYLA-CABCVRRESA-N	1	0	356.430	1.432	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CCC(=O)NC4)C[C@@H]32)c1	ZINC001084978490	919062309	/nfs/dbraw/zinc/06/23/09/919062309.db2.gz	UEPSDEHNFJZYDH-QYZOEREBSA-N	1	0	366.465	1.507	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](C[C@H]3CCCS(=O)(=O)C3)[C@H]2C1	ZINC001085006248	919570896	/nfs/dbraw/zinc/57/08/96/919570896.db2.gz	IXOOFMWXNUFJDC-ZACQAIPSSA-N	1	0	368.543	1.946	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)C4(C(N)=O)CC4)C[C@@H]32)cc1F	ZINC001085021484	919760625	/nfs/dbraw/zinc/76/06/25/919760625.db2.gz	AAUGWUBCIWXUQP-PBHICJAKSA-N	1	0	370.428	1.386	20	30		FDEDRO
C[C@@]1(C(=O)N2CC[C@H]3CC[N@H+](Cc4cccc(C#N)c4)[C@H]3C2)CCC(=O)N1	ZINC001085025246	919805233	/nfs/dbraw/zinc/80/52/33/919805233.db2.gz	MRRJMGLJPDYZFJ-LQWHRVPQSA-N	1	0	366.465	1.650	20	30		FDEDRO
NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001085034970	919916169	/nfs/dbraw/zinc/91/61/69/919916169.db2.gz	ZALBLZYSNIXFEQ-YRXWBPOGSA-N	1	0	351.450	1.082	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@]3(C)CCCS3(=O)=O)C[C@@H]21	ZINC001085055097	920177297	/nfs/dbraw/zinc/17/72/97/920177297.db2.gz	OTMPBQHCCIMGQN-SOLBZPMBSA-N	1	0	354.516	1.843	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C[C@@H]21	ZINC001085078773	920545535	/nfs/dbraw/zinc/54/55/35/920545535.db2.gz	MJGGIOYAFSFQIO-JLSDUUJJSA-N	1	0	352.438	1.260	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4cnnn4)cc3)C[C@@H]21	ZINC001085088630	920764144	/nfs/dbraw/zinc/76/41/44/920764144.db2.gz	RKOXOTHCYGODNA-QAPCUYQASA-N	1	0	350.426	1.222	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1Cn1c(C)cc(C=NNCCS(C)(=O)=O)c1C	ZINC000733206091	920824192	/nfs/dbraw/zinc/82/41/92/920824192.db2.gz	WFOYOFNONLWQEF-KRWDZBQOSA-N	1	0	354.520	1.557	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2nccnc2N)c1	ZINC001085154938	921847884	/nfs/dbraw/zinc/84/78/84/921847884.db2.gz	UDWCYKHXFLDINM-HZPDHXFCSA-N	1	0	350.426	1.761	20	30		FDEDRO
CN1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001085159494	921883601	/nfs/dbraw/zinc/88/36/01/921883601.db2.gz	WSVCEGGIZKOQTD-QRVBRYPASA-N	1	0	356.470	1.406	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCNC(=O)C1	ZINC001085167760	921935912	/nfs/dbraw/zinc/93/59/12/921935912.db2.gz	KKFWTTSZFBMZMS-ZTFGCOKTSA-N	1	0	354.454	1.601	20	30		FDEDRO
C[C@H]1CCCCN1C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC001085174883	921995165	/nfs/dbraw/zinc/99/51/65/921995165.db2.gz	YNQYCKAJEMPSQR-BMGDILEWSA-N	1	0	371.485	1.918	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(F)cn2)C1=O	ZINC001085177826	922016485	/nfs/dbraw/zinc/01/64/85/922016485.db2.gz	YCINKGRZXRUVHD-BFYDXBDKSA-N	1	0	360.433	1.638	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnnn2C)cc1C#N	ZINC001085187344	922074716	/nfs/dbraw/zinc/07/47/16/922074716.db2.gz	CEUYUAUTLBTFQV-HZPDHXFCSA-N	1	0	368.441	1.526	20	30		FDEDRO
C=CCOCCCC(=O)N1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001066218444	922615744	/nfs/dbraw/zinc/61/57/44/922615744.db2.gz	GFWCGGKQSVOUFC-FGTMMUONSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=CCCOCC(=O)N1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001066218964	922617777	/nfs/dbraw/zinc/61/77/77/922617777.db2.gz	RCJRIZSMSBFPOS-IXDOHACOSA-N	1	0	351.491	1.417	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cncc(OC)n1	ZINC001085230064	922984901	/nfs/dbraw/zinc/98/49/01/922984901.db2.gz	ZQRWIMJZYLUAEC-KURKYZTESA-N	1	0	371.485	1.100	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCNC1=O	ZINC001085233372	923008955	/nfs/dbraw/zinc/00/89/55/923008955.db2.gz	UMEDISNKWMARPO-KZNAEPCWSA-N	1	0	354.454	1.601	20	30		FDEDRO
C[C@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)CCNC(=O)C1	ZINC001085242792	923122919	/nfs/dbraw/zinc/12/29/19/923122919.db2.gz	HPXDUEORHQRWPB-OPYAIIAOSA-N	1	0	368.481	1.992	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c[nH]nc2CC)C1=O	ZINC001085255347	923249187	/nfs/dbraw/zinc/24/91/87/923249187.db2.gz	ADVALSOGUUZTDX-BRWVUGGUSA-N	1	0	359.474	1.390	20	30		FDEDRO
N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCC[C@H](OCCO)C1	ZINC000734486045	923377295	/nfs/dbraw/zinc/37/72/95/923377295.db2.gz	YYHSJFVAMCDGQQ-JKSUJKDBSA-N	1	0	366.421	1.697	20	30		FDEDRO
C=CC[C@@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccncc1	ZINC000734681070	923578411	/nfs/dbraw/zinc/57/84/11/923578411.db2.gz	SUTFUNNNFGJAEN-GOSISDBHSA-N	1	0	371.485	1.648	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC(=O)N1C	ZINC001085301248	923667374	/nfs/dbraw/zinc/66/73/74/923667374.db2.gz	ZYKMAKFVRGFPFN-UPJWGTAASA-N	1	0	358.280	1.533	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1	ZINC000734867638	923814124	/nfs/dbraw/zinc/81/41/24/923814124.db2.gz	RXPOSFZHIRHEIK-INIZCTEOSA-N	1	0	350.507	1.524	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc(CC)n2C)c1	ZINC001085325799	923916494	/nfs/dbraw/zinc/91/64/94/923916494.db2.gz	FXDRQUBQGNCWLR-IAGOWNOFSA-N	1	0	366.469	1.585	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2[nH]c(C)nc2C)C1=O	ZINC001085336265	923981704	/nfs/dbraw/zinc/98/17/04/923981704.db2.gz	NKXFKIRQYGDLLB-OAGGEKHMSA-N	1	0	359.474	1.444	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC[C@H]2CCOC2)nn1	ZINC001085358501	924169849	/nfs/dbraw/zinc/16/98/49/924169849.db2.gz	DZIFTGZSZCGTQN-GVDBMIGSSA-N	1	0	361.490	1.911	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccnc2OC)nn1	ZINC001085356570	924178597	/nfs/dbraw/zinc/17/85/97/924178597.db2.gz	FRUJQAJPHPXWSY-HZPDHXFCSA-N	1	0	370.457	1.699	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H](C)c2cnccn2)nn1	ZINC001085357218	924185182	/nfs/dbraw/zinc/18/51/82/924185182.db2.gz	JGMJZYAVZPWAIG-RBSFLKMASA-N	1	0	355.446	1.646	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc(C3CC3)[nH]2)nn1	ZINC001085357129	924185284	/nfs/dbraw/zinc/18/52/84/924185284.db2.gz	FZXMGAMCVFBVQT-ZIAGYGMSSA-N	1	0	370.461	1.290	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(OC)nn2)nn1	ZINC001085357303	924186845	/nfs/dbraw/zinc/18/68/45/924186845.db2.gz	NSBWEZJGXZKIGI-HUUCEWRRSA-N	1	0	371.445	1.094	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccnn1C	ZINC001085360736	924220980	/nfs/dbraw/zinc/22/09/80/924220980.db2.gz	YPUADUZEEUQXHK-MANSERQUSA-N	1	0	360.502	1.961	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c[nH]nc2C2CC2)C1=O	ZINC001085381792	924348429	/nfs/dbraw/zinc/34/84/29/924348429.db2.gz	XHCZGXJFQSOLEV-BRWVUGGUSA-N	1	0	371.485	1.705	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1nc[nH]n1	ZINC001085387222	924378866	/nfs/dbraw/zinc/37/88/66/924378866.db2.gz	FEUCIZZMEOSHKG-HZPDHXFCSA-N	1	0	368.441	1.445	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCc3ncnn32)nc1	ZINC001085398734	924449461	/nfs/dbraw/zinc/44/94/61/924449461.db2.gz	XHIMDMZJXCQKCM-BRWVUGGUSA-N	1	0	364.453	1.473	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCCC2)cn1	ZINC001085398841	924449591	/nfs/dbraw/zinc/44/95/91/924449591.db2.gz	CRYQHKCMWFRIGQ-RTBURBONSA-N	1	0	368.481	1.706	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H](C)c2nncn2C)nc1	ZINC001085398784	924450186	/nfs/dbraw/zinc/45/01/86/924450186.db2.gz	ZMPIBJCNSLSFIF-FVQBIDKESA-N	1	0	352.442	1.583	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2[nH]cnc2C)C1=O	ZINC001085406258	924483139	/nfs/dbraw/zinc/48/31/39/924483139.db2.gz	XAGXMAHZMRUMSF-OAGGEKHMSA-N	1	0	359.474	1.065	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)N1CCOCC1	ZINC001085429951	924653516	/nfs/dbraw/zinc/65/35/16/924653516.db2.gz	PLTCOSKGBYTTJK-ZACQAIPSSA-N	1	0	355.910	1.867	20	30		FDEDRO
Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCC[NH+]1CCC(O)CC1	ZINC000736193089	924792682	/nfs/dbraw/zinc/79/26/82/924792682.db2.gz	WFJICTRYKQOZOX-UHFFFAOYSA-N	1	0	356.426	1.827	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)nc1	ZINC000736375701	924826371	/nfs/dbraw/zinc/82/63/71/924826371.db2.gz	KELXHUQVMZIOPJ-INIZCTEOSA-N	1	0	372.473	1.165	20	30		FDEDRO
C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CCC[C@H](C(C)C)CC2)c1=O	ZINC000738242535	925148816	/nfs/dbraw/zinc/14/88/16/925148816.db2.gz	YEQNVJIHEZJBCD-INIZCTEOSA-N	1	0	362.474	1.259	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)COc2ccc3c(c2)CCC(=O)N3)CC1	ZINC000740739139	925430049	/nfs/dbraw/zinc/43/00/49/925430049.db2.gz	WVSOTYBNJMHFIJ-UHFFFAOYSA-N	1	0	355.438	1.554	20	30		FDEDRO
CC[NH+]1CCC(N(C)CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1	ZINC000740874368	925480315	/nfs/dbraw/zinc/48/03/15/925480315.db2.gz	FSONYMUCSSPKFZ-MRXNPFEDSA-N	1	0	367.453	1.928	20	30		FDEDRO
N#CCn1c(=O)c2ccccc2nc1CN1CCC[C@H]([NH+]2CCCC2)C1	ZINC000740878204	925481390	/nfs/dbraw/zinc/48/13/90/925481390.db2.gz	TXPQTWLJHQJONK-INIZCTEOSA-N	1	0	351.454	1.980	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)CC1	ZINC000741206039	925630303	/nfs/dbraw/zinc/63/03/03/925630303.db2.gz	VJERWTMZBOIZCG-GHTZIAJQSA-N	1	0	369.509	1.737	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)c2ccccc2F)[C@@H](n2ccnn2)C1	ZINC001129326323	925931714	/nfs/dbraw/zinc/93/17/14/925931714.db2.gz	FXMGSIQISFGJLO-LZQZEXGQSA-N	1	0	369.444	1.976	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCn2nc(C)cc2C)C1	ZINC001086089806	925938295	/nfs/dbraw/zinc/93/82/95/925938295.db2.gz	RHADGFOPMBSGJA-HCXYKTFWSA-N	1	0	360.502	1.966	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccnc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129326456	926001571	/nfs/dbraw/zinc/00/15/71/926001571.db2.gz	IDGISCIZOAQZOI-JQHSSLGASA-N	1	0	354.458	1.992	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1	ZINC001086201609	926284806	/nfs/dbraw/zinc/28/48/06/926284806.db2.gz	IXKVGJNCBMBSKX-SPUZQDLCSA-N	1	0	357.454	1.361	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ncnn2CCC)C1	ZINC001086223327	926353295	/nfs/dbraw/zinc/35/32/95/926353295.db2.gz	KZDRADPPHRUWLO-DFGXFYAUSA-N	1	0	361.490	1.654	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1	ZINC000743490841	926378226	/nfs/dbraw/zinc/37/82/26/926378226.db2.gz	WQCGXTHAUGQTQD-PKOBYXMFSA-N	1	0	354.454	1.205	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1	ZINC000743492650	926379214	/nfs/dbraw/zinc/37/92/14/926379214.db2.gz	YKAKYLGRENJEKS-USXIJHARSA-N	1	0	359.470	1.154	20	30		FDEDRO
N#Cc1cccc(OCC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1	ZINC000743766875	926465192	/nfs/dbraw/zinc/46/51/92/926465192.db2.gz	WEKNIGKMRCMUIE-OAQYLSRUSA-N	1	0	365.433	1.690	20	30		FDEDRO
COC(=O)CC[N@H+](CCC(=O)Nc1sccc1C#N)C1CCOCC1	ZINC000743872678	926481996	/nfs/dbraw/zinc/48/19/96/926481996.db2.gz	XVSPRRYXCFFWHG-UHFFFAOYSA-N	1	0	365.455	1.992	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(N3CCOC3=O)c2)CC1	ZINC000743947301	926523953	/nfs/dbraw/zinc/52/39/53/926523953.db2.gz	YFZLXFAIBASIFB-UHFFFAOYSA-N	1	0	372.425	1.348	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3C#N)C2)C1	ZINC001086368868	926861316	/nfs/dbraw/zinc/86/13/16/926861316.db2.gz	BKLYTVAQAQIFDP-DTTOXWODSA-N	1	0	354.454	1.457	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccnc(OC)n2)C1	ZINC001086369041	926862227	/nfs/dbraw/zinc/86/22/27/926862227.db2.gz	MKWVTKBDBXZOMC-DZUCGIPZSA-N	1	0	360.458	1.451	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC001086401369	927038522	/nfs/dbraw/zinc/03/85/22/927038522.db2.gz	YUWSPEHVFXBBJG-KKOKHZNYSA-N	1	0	356.772	1.570	20	30		FDEDRO
N#Cc1c(F)cccc1N1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1	ZINC001066530578	927260942	/nfs/dbraw/zinc/26/09/42/927260942.db2.gz	KJMINPNRNQFSDX-MGPQQGTHSA-N	1	0	369.400	1.546	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)CCCC[NH+](C)C)CC1	ZINC001066547709	927505903	/nfs/dbraw/zinc/50/59/03/927505903.db2.gz	LEXLMNDRUQKYDB-KSZLIROESA-N	1	0	365.518	1.807	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-n3cccn3)cc2C)CC1	ZINC000187829164	927815643	/nfs/dbraw/zinc/81/56/43/927815643.db2.gz	HMUVFAWZXQJSRR-UHFFFAOYSA-N	1	0	367.453	1.886	20	30		FDEDRO
Cc1ccc([C@@H](CNC(=O)C(=O)Nc2cnn(CC#N)c2)[NH+](C)C)cc1	ZINC000746380637	927930493	/nfs/dbraw/zinc/93/04/93/927930493.db2.gz	DEIOGQCUQIWIDV-MRXNPFEDSA-N	1	0	354.414	1.073	20	30		FDEDRO
N#CCn1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)cn1	ZINC000746396323	927943901	/nfs/dbraw/zinc/94/39/01/927943901.db2.gz	ZVNCJNDQRDTHNG-KRWDZBQOSA-N	1	0	372.473	1.506	20	30		FDEDRO
COC(OC)c1c(/C=N/O)ccnc1-n1nnc(-c2cccc(C[NH3+])c2)n1	ZINC001168878830	928159281	/nfs/dbraw/zinc/15/92/81/928159281.db2.gz	ZPCYOTCWLZOQPB-KEBDBYFISA-N	1	0	369.385	1.283	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)c2ccnc(CNC(=O)OC(C)(C)C)c2)CC1	ZINC000766566835	928249487	/nfs/dbraw/zinc/24/94/87/928249487.db2.gz	IZJGOVHLNCRUID-UHFFFAOYSA-N	1	0	373.457	1.824	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1	ZINC000766587114	928274975	/nfs/dbraw/zinc/27/49/75/928274975.db2.gz	VLRVXHYLPJDKSQ-MAUKXSAKSA-N	1	0	355.438	1.580	20	30		FDEDRO
C=CCOC(=O)N1CCC2(C[NH+]([C@@H]3CC[C@H](C(=O)OCC)OC3)C2)CC1	ZINC001169368760	928477462	/nfs/dbraw/zinc/47/74/62/928477462.db2.gz	SYMNLVFHQJJTFP-HZPDHXFCSA-N	1	0	366.458	1.818	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2c(C)nn(CC)c2C)[C@@H](n2ccnn2)C1	ZINC001129337510	928766862	/nfs/dbraw/zinc/76/68/62/928766862.db2.gz	KSPINKKACRJGGJ-SJORKVTESA-N	1	0	371.489	1.733	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1	ZINC000766951550	929010146	/nfs/dbraw/zinc/01/01/46/929010146.db2.gz	HNSFNOUPCRQCCS-QSOKESPWSA-N	1	0	361.490	1.751	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(Cc3nc4ccccc4c(=O)n3CC#N)CC[C@@H]21	ZINC000766989714	929015154	/nfs/dbraw/zinc/01/51/54/929015154.db2.gz	KFEPDJKFSLSDKI-QAPCUYQASA-N	1	0	351.454	1.836	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2coc(COC)n2)[C@@H](n2ccnn2)C1	ZINC001129353192	929018762	/nfs/dbraw/zinc/01/87/62/929018762.db2.gz	FQKIJLMSMXFJBH-HIFRSBDPSA-N	1	0	360.418	1.034	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)CC1	ZINC000769921831	929737387	/nfs/dbraw/zinc/73/73/87/929737387.db2.gz	ZDGJOVOTTXGMKP-GOSISDBHSA-N	1	0	365.481	1.278	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCC(F)(F)F	ZINC001109604296	929927075	/nfs/dbraw/zinc/92/70/75/929927075.db2.gz	BZIZVZDWONXZMV-MQYQWHSLSA-N	1	0	364.408	1.860	20	30		FDEDRO
C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cn1cccn1	ZINC001109607363	929931186	/nfs/dbraw/zinc/93/11/86/929931186.db2.gz	UTCZSKPLVRCUGZ-YRXWBPOGSA-N	1	0	358.486	1.549	20	30		FDEDRO
C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cn1cccn1	ZINC001109607362	929931453	/nfs/dbraw/zinc/93/14/53/929931453.db2.gz	UTCZSKPLVRCUGZ-XWSJACJDSA-N	1	0	358.486	1.549	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2	ZINC001109709510	930183627	/nfs/dbraw/zinc/18/36/27/930183627.db2.gz	NFOHQSPMANDODG-TWMKSMIVSA-N	1	0	350.507	1.131	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2	ZINC001109729029	930261121	/nfs/dbraw/zinc/26/11/21/930261121.db2.gz	PXBVGQJDYLBTCV-NCOADZHNSA-N	1	0	364.534	1.377	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO	ZINC001109819612	930503100	/nfs/dbraw/zinc/50/31/00/930503100.db2.gz	WEQFSZZSMZTMCJ-FPSMNIFISA-N	1	0	352.475	1.088	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)COC)C(C)C)C2	ZINC001109814288	930517503	/nfs/dbraw/zinc/51/75/03/930517503.db2.gz	WEMKVPGUSXUVLJ-CVYDXHPNSA-N	1	0	351.491	1.461	20	30		FDEDRO
Cn1ncc2c1nc(NN=Cc1ccc(N3CC[NH+](C)CC3)cc1)[nH]c2=O	ZINC000771559669	930740578	/nfs/dbraw/zinc/74/05/78/930740578.db2.gz	KQPBAVUVBUQGMI-UHFFFAOYSA-N	1	0	366.429	1.267	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1csc(COC)n1)C2	ZINC001109950348	930856450	/nfs/dbraw/zinc/85/64/50/930856450.db2.gz	XQPRURKUNHRMES-PMPSAXMXSA-N	1	0	365.499	1.756	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1	ZINC000772123597	931087647	/nfs/dbraw/zinc/08/76/47/931087647.db2.gz	TUZZCFUNWRLGKP-UHFFFAOYSA-N	1	0	359.382	1.730	20	30		FDEDRO
CC[NH+](CC)CCOC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21	ZINC000772162605	931117807	/nfs/dbraw/zinc/11/78/07/931117807.db2.gz	VFVDPMKYDUHLPL-CYBMUJFWSA-N	1	0	367.471	1.389	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NCCC[NH+]2CCCCC2)cc1C#N	ZINC000785518721	931431287	/nfs/dbraw/zinc/43/12/87/931431287.db2.gz	XXXRTELBLXYXQF-UHFFFAOYSA-N	1	0	358.442	1.175	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(S(C)(=O)=O)CCC1)C2	ZINC001112554892	931524807	/nfs/dbraw/zinc/52/48/07/931524807.db2.gz	OETCVPPKNSGXNP-RDJZCZTQSA-N	1	0	354.516	1.748	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)CCOC)C2	ZINC001112555334	931556020	/nfs/dbraw/zinc/55/60/20/931556020.db2.gz	MQBFWRUIXVUROZ-JXFKEZNVSA-N	1	0	365.518	1.570	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnc(OC)nc1)C2	ZINC001112556134	931563321	/nfs/dbraw/zinc/56/33/21/931563321.db2.gz	BHNIAHKBRDDAQS-LPHOPBHVSA-N	1	0	360.458	1.520	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(Cn3cccn3)on1)C2	ZINC001112559665	931565400	/nfs/dbraw/zinc/56/54/00/931565400.db2.gz	JBMILEBJTZGWBY-KXBFYZLASA-N	1	0	353.426	1.385	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCOCCCOC)C2	ZINC001112559836	931566360	/nfs/dbraw/zinc/56/63/60/931566360.db2.gz	RPKBNDQIJQURNV-ICSRJNTNSA-N	1	0	368.518	1.851	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)c1cccnc1)C2	ZINC001112564651	931608464	/nfs/dbraw/zinc/60/84/64/931608464.db2.gz	HRKQIGAFUJJQNH-MMOPVJDHSA-N	1	0	370.497	1.706	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1Cc3ccccc3C1=O)C2	ZINC001112565221	931611370	/nfs/dbraw/zinc/61/13/70/931611370.db2.gz	PUBMHTSGZBQPEL-AVRDEDQJSA-N	1	0	365.477	1.884	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCn3cncn3)C2)nc1	ZINC001112565439	931613605	/nfs/dbraw/zinc/61/36/05/931613605.db2.gz	BONGQVSAFOBHEF-PXNSSMCTSA-N	1	0	364.453	1.187	20	30		FDEDRO
O=C([C@@H]1CCC(=O)N1)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#Cc2ccccc2)C1	ZINC001112566354	931618390	/nfs/dbraw/zinc/61/83/90/931618390.db2.gz	YVHRGZMFIZGTKV-IPJJNNNSSA-N	1	0	365.477	1.535	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(F)cc1C)C2	ZINC001112566663	931621711	/nfs/dbraw/zinc/62/17/11/931621711.db2.gz	QZUVNKFOQVVAQR-KKSFZXQISA-N	1	0	371.456	1.715	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc(OC)c1)C2	ZINC001112568731	931632563	/nfs/dbraw/zinc/63/25/63/931632563.db2.gz	JGORCYNPAJODRW-UWJYYQICSA-N	1	0	369.465	1.277	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](CCC)NC(N)=O)C2	ZINC001112569507	931661566	/nfs/dbraw/zinc/66/15/66/931661566.db2.gz	BLQOWHQBBXHREU-FCEWJHQRSA-N	1	0	366.506	1.244	20	30		FDEDRO
N#Cc1c(F)cccc1N1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1	ZINC001090437771	931686197	/nfs/dbraw/zinc/68/61/97/931686197.db2.gz	HXZPMYSMDJCERH-SJLPKXTDSA-N	1	0	360.433	1.239	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccccc1-n1cnnn1)C2	ZINC001112576747	931688306	/nfs/dbraw/zinc/68/83/06/931688306.db2.gz	FNDVGDKJLAMVTQ-KXBFYZLASA-N	1	0	352.442	1.680	20	30		FDEDRO
NC(=O)NCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#Cc2ccccc2)C1	ZINC001112576052	931707774	/nfs/dbraw/zinc/70/77/74/931707774.db2.gz	RCHZHRSKJATPCU-RXVVDRJESA-N	1	0	368.481	1.315	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CCCOC1)C2	ZINC001112579992	931718204	/nfs/dbraw/zinc/71/82/04/931718204.db2.gz	RNXPLQNATHAJIV-ZWOKBUDYSA-N	1	0	363.502	1.324	20	30		FDEDRO
C[C@H](OC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)NC1(C#N)CCC1	ZINC000786097946	931749500	/nfs/dbraw/zinc/74/95/00/931749500.db2.gz	NDEHPHHDSMJPDE-HNNXBMFYSA-N	1	0	363.458	1.516	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC2CC2)C1	ZINC001112589277	931802711	/nfs/dbraw/zinc/80/27/11/931802711.db2.gz	SGKGDFWYGXQKQA-KNBMTAEXSA-N	1	0	363.502	1.322	20	30		FDEDRO
C#CC[C@@H](CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1)c1ccccc1	ZINC001112593161	931843894	/nfs/dbraw/zinc/84/38/94/931843894.db2.gz	ZBGXFAQBBHNIJI-IPJJNNNSSA-N	1	0	367.493	1.887	20	30		FDEDRO
CC(C)C[NH+]1CCC(NC(=O)C(=O)NCc2cc(C#N)ccc2F)CC1	ZINC000786331913	931890898	/nfs/dbraw/zinc/89/08/98/931890898.db2.gz	GHOOWESUNDGHLS-UHFFFAOYSA-N	1	0	360.433	1.550	20	30		FDEDRO
C[C@H]1[C@H](C(=O)NC2(C#N)CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C	ZINC000786642748	931990005	/nfs/dbraw/zinc/99/00/05/931990005.db2.gz	PLOVRKMHRULVIW-UONOGXRCSA-N	1	0	350.463	1.736	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)C1	ZINC000787522445	932311227	/nfs/dbraw/zinc/31/12/27/932311227.db2.gz	XYKKKNVRCXLXJR-GDBMZVCRSA-N	1	0	362.474	1.736	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CC2CCC3(CC2)OCCO3)c1C#N	ZINC000788582361	932745977	/nfs/dbraw/zinc/74/59/77/932745977.db2.gz	CBAFQZCULDEDJI-UHFFFAOYSA-N	1	0	361.446	1.695	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)n1	ZINC000788868553	932843868	/nfs/dbraw/zinc/84/38/68/932843868.db2.gz	HRXMLEZCQDIPQR-INIZCTEOSA-N	1	0	359.474	1.159	20	30		FDEDRO
COc1ccc(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1C#N	ZINC000746774732	932891551	/nfs/dbraw/zinc/89/15/51/932891551.db2.gz	AYKGYFXQASGTLG-ROUUACIJSA-N	1	0	372.469	1.744	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CCCC[N@H+]2CC)n1	ZINC000788998015	932906404	/nfs/dbraw/zinc/90/64/04/932906404.db2.gz	TXGJVCCMQKRXMN-GOSISDBHSA-N	1	0	361.490	1.549	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1	ZINC001086588641	933622455	/nfs/dbraw/zinc/62/24/55/933622455.db2.gz	GHFDECDPEHZWAM-QXCFHYIPSA-N	1	0	353.466	1.509	20	30		FDEDRO
O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CCN([C@@H]2CCOC2)CC1	ZINC000790768482	933712855	/nfs/dbraw/zinc/71/28/55/933712855.db2.gz	RYFCTLMMWNTOPY-MRXNPFEDSA-N	1	0	352.356	1.990	20	30		FDEDRO
C=CC[C@]1(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CCCN1C(=O)OC(C)(C)C	ZINC000790891698	933773901	/nfs/dbraw/zinc/77/39/01/933773901.db2.gz	AKZSIJXSKIDCST-RBUKOAKNSA-N	1	0	367.490	1.515	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)CC(C)(C)CNc2ccc(C#N)nn2)CC[N@@H+]1C	ZINC001113463329	933829427	/nfs/dbraw/zinc/82/94/27/933829427.db2.gz	NWKWDKQGPSFYME-JKSUJKDBSA-N	1	0	358.490	1.975	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@]2(C)CCNC(=O)C2)C1	ZINC001086594455	933868016	/nfs/dbraw/zinc/86/80/16/933868016.db2.gz	AEMUULPLPDFWLK-UEXGIBASSA-N	1	0	353.466	1.510	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2nc(COC)c(C(=O)OC)s2)CC1	ZINC000791337800	933964207	/nfs/dbraw/zinc/96/42/07/933964207.db2.gz	XVRFXLYYRZCVHE-UHFFFAOYSA-N	1	0	351.428	1.360	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc3ncnn32)C1	ZINC001086597534	933970879	/nfs/dbraw/zinc/97/08/79/933970879.db2.gz	KOLQQOBUFHKHCU-ZWKOTPCHSA-N	1	0	359.433	1.950	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1	ZINC001086597944	933980933	/nfs/dbraw/zinc/98/09/33/933980933.db2.gz	HHYKMUJCXYDWOE-CEXWTWQISA-N	1	0	370.497	1.937	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)C1	ZINC001086597945	933981179	/nfs/dbraw/zinc/98/11/79/933981179.db2.gz	HHYKMUJCXYDWOE-GBESFXJTSA-N	1	0	370.497	1.937	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CCCC(=O)N2)C1	ZINC001086598618	933995550	/nfs/dbraw/zinc/99/55/50/933995550.db2.gz	RGXGOSPMTIDUQY-GBESFXJTSA-N	1	0	353.466	1.653	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CCC(=O)N2C)C1	ZINC001086602699	934159129	/nfs/dbraw/zinc/15/91/29/934159129.db2.gz	NAKDWDQIHIMQFZ-GBESFXJTSA-N	1	0	353.466	1.605	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2c(C)n[nH]c2C)[C@@H](n2ccnn2)C1	ZINC001129428222	938414179	/nfs/dbraw/zinc/41/41/79/938414179.db2.gz	UKYGMTJWOXJMAN-XWIAVFTESA-N	1	0	371.489	1.557	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)COc2ccc(C)c(C)c2)[C@@H](n2ccnn2)C1	ZINC001129445096	938418036	/nfs/dbraw/zinc/41/80/36/938418036.db2.gz	AHHTYCURBXMNHN-MOPGFXCFSA-N	1	0	367.453	1.339	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2nc(C)cc2C)[C@@H](n2ccnn2)C1	ZINC001129433570	938423629	/nfs/dbraw/zinc/42/36/29/938423629.db2.gz	HHNILILEUSOJAP-KSZLIROESA-N	1	0	371.489	1.660	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)OCCOCC)[C@@H](n2ccnn2)C1	ZINC001129470134	938429780	/nfs/dbraw/zinc/42/97/80/938429780.db2.gz	DDVNVJYFOISMAY-ZACQAIPSSA-N	1	0	365.478	1.027	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)OCC=C)[C@@H](n2ccnn2)C1	ZINC001129480652	938433906	/nfs/dbraw/zinc/43/39/06/938433906.db2.gz	ADLCAXXUISYAJG-KURKYZTESA-N	1	0	361.490	1.957	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cnc(OCC)cn2)[C@@H](n2ccnn2)C1	ZINC001129490424	938441970	/nfs/dbraw/zinc/44/19/70/938441970.db2.gz	FBGVGGUTIOBFAV-CVEARBPZSA-N	1	0	371.445	1.088	20	30		FDEDRO
CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@@H]1n1ccnn1	ZINC001129604020	938463065	/nfs/dbraw/zinc/46/30/65/938463065.db2.gz	UOAMWDFEQYJIIX-SGFLJFKBSA-N	1	0	362.503	1.623	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)c2cnsn2)C[C@@H]1n1ccnn1	ZINC001129607955	938463820	/nfs/dbraw/zinc/46/38/20/938463820.db2.gz	GLQNXPIODZXVJF-CABCVRRESA-N	1	0	363.491	1.755	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cncnc2C)C[C@@H]1n1ccnn1	ZINC001129613468	938468696	/nfs/dbraw/zinc/46/86/96/938468696.db2.gz	SHTBTCFIEJQBIR-XKQJLSEDSA-N	1	0	355.446	1.387	20	30		FDEDRO
CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@@H](n2ccnn2)C1	ZINC001129618232	938470420	/nfs/dbraw/zinc/47/04/20/938470420.db2.gz	PQOMLBOHIBBYHX-OLMNPRSZSA-N	1	0	368.441	1.116	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2COCCN2C(C)=O)C1	ZINC001086624572	938483631	/nfs/dbraw/zinc/48/36/31/938483631.db2.gz	KROSFVBLPOWQSQ-XUVXKRRUSA-N	1	0	371.481	1.394	20	30		FDEDRO
C#CCNc1nc(NCC[C@@H]2CCOC2)[nH+]c(NCC[C@@H]2CCOC2)n1	ZINC000804613492	938488709	/nfs/dbraw/zinc/48/87/09/938488709.db2.gz	TUIGXJJRWCYWPL-HUUCEWRRSA-N	1	0	360.462	1.594	20	30		FDEDRO
C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C2CC2)N2CCOCC2)C1	ZINC001086624970	938507480	/nfs/dbraw/zinc/50/74/80/938507480.db2.gz	CZGVDTMVLZUUFF-PWRODBHTSA-N	1	0	369.509	1.867	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)C[C@](C)(O)C=C)C[C@@H]1n1ccnn1	ZINC001129795110	938508914	/nfs/dbraw/zinc/50/89/14/938508914.db2.gz	BAFBDCPLNKIALI-ZIFCJYIRSA-N	1	0	361.490	1.693	20	30		FDEDRO
CCC(CC)C[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1n1ccnn1	ZINC001129778636	938514179	/nfs/dbraw/zinc/51/41/79/938514179.db2.gz	YOFWWPRQRNJHCN-SJORKVTESA-N	1	0	355.446	1.569	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H]([NH2+]CC2CC(F)(F)C2)[C@@H](n2ccnn2)C1	ZINC001129778643	938514360	/nfs/dbraw/zinc/51/43/60/938514360.db2.gz	YTJYPTNFTMPCPQ-CVEARBPZSA-N	1	0	365.428	1.859	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2nccn2CC)C[C@@H]1n1ccnn1	ZINC001129803640	938517143	/nfs/dbraw/zinc/51/71/43/938517143.db2.gz	WHALCZQCYRFQKM-SJORKVTESA-N	1	0	371.489	1.896	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2nn(C)cc2C)C[C@@H]1n1ccnn1	ZINC001129817337	938521327	/nfs/dbraw/zinc/52/13/27/938521327.db2.gz	XFXVNAKVJSMFOA-OAGGEKHMSA-N	1	0	357.462	1.330	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccc(C)nn2)C[C@@H]1n1ccnn1	ZINC001129822089	938521930	/nfs/dbraw/zinc/52/19/30/938521930.db2.gz	FEOXCVPWNFTPIP-XKQJLSEDSA-N	1	0	355.446	1.387	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccsc2C)C[C@@H]1n1ccnn1	ZINC001129824789	938522732	/nfs/dbraw/zinc/52/27/32/938522732.db2.gz	CAUMMXRHHVEILG-CVEARBPZSA-N	1	0	361.471	1.506	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(F)cc2F)C[C@@H]1n1ccnn1	ZINC001129857662	938529689	/nfs/dbraw/zinc/52/96/89/938529689.db2.gz	BXUGUVWUZFYPCE-SJORKVTESA-N	1	0	359.380	1.164	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnn(C3CCC3)c2)C[C@@H]1n1ccnn1	ZINC001129838133	938535181	/nfs/dbraw/zinc/53/51/81/938535181.db2.gz	RSMJIKUMVNCGMD-MSOLQXFVSA-N	1	0	369.473	1.821	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2sc(Cl)nc2C)C[C@@H]1n1ccnn1	ZINC001129879052	938536500	/nfs/dbraw/zinc/53/65/00/938536500.db2.gz	PGCZOBJBGVTMHH-NEPJUHHUSA-N	1	0	366.878	1.928	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H]([NH2+]CCC[C@H]2CCOC2)[C@@H](n2ccnn2)C1	ZINC001129879040	938536554	/nfs/dbraw/zinc/53/65/54/938536554.db2.gz	ORGAWLHKMSBALO-KSZLIROESA-N	1	0	361.490	1.793	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(OC)cc2C)C[C@@H]1n1ccnn1	ZINC001129871722	938545137	/nfs/dbraw/zinc/54/51/37/938545137.db2.gz	LXKFDQJGPFSDQS-MOPGFXCFSA-N	1	0	367.453	1.203	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2C2CC2)C[C@@H]1n1ccnn1	ZINC001129874372	938545717	/nfs/dbraw/zinc/54/57/17/938545717.db2.gz	AVPVNCWKSUCFOT-SJORKVTESA-N	1	0	369.473	1.511	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2ccnn2C)C[C@@H]1n1ccnn1	ZINC001129876133	938546470	/nfs/dbraw/zinc/54/64/70/938546470.db2.gz	CEIJGNXSARQFBC-JQHSSLGASA-N	1	0	371.489	1.341	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@H]2C=CCCC2)C[C@@H]1n1ccnn1	ZINC001129907269	938549388	/nfs/dbraw/zinc/54/93/88/938549388.db2.gz	ZNPIXEGHKJZUGU-KSZLIROESA-N	1	0	359.474	1.569	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C23CCC(CC2)C3)C[C@@H]1n1ccnn1	ZINC001129910564	938550265	/nfs/dbraw/zinc/55/02/65/938550265.db2.gz	YQZNGERDMKSTKL-ISXWCOSWSA-N	1	0	359.474	1.403	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc(C(N)=O)n2)C1	ZINC001086625885	938550731	/nfs/dbraw/zinc/55/07/31/938550731.db2.gz	GDPFCWUNACJNEA-QFBILLFUSA-N	1	0	364.449	1.954	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2C2CCC2)C[C@@H]1n1ccnn1	ZINC001129917487	938554408	/nfs/dbraw/zinc/55/44/08/938554408.db2.gz	UQJIWLNCHBSXSE-SJORKVTESA-N	1	0	369.473	1.511	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2C(F)F)C[C@@H]1n1ccnn1	ZINC001129895935	938557357	/nfs/dbraw/zinc/55/73/57/938557357.db2.gz	MRBFACIBLHSCJA-OLZOCXBDSA-N	1	0	365.388	1.181	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C/C=C/Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001129897835	938558589	/nfs/dbraw/zinc/55/85/89/938558589.db2.gz	JPXUUXUFEHZGMN-CLJKYYQGSA-N	1	0	363.465	1.832	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cncc(COC)c2)C[C@@H]1n1ccnn1	ZINC001129898434	938558876	/nfs/dbraw/zinc/55/88/76/938558876.db2.gz	VNWUJOHQGWOSIZ-MSOLQXFVSA-N	1	0	370.457	1.441	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3cc[nH]c3n2)C[C@@H]1n1ccnn1	ZINC001129902469	938561348	/nfs/dbraw/zinc/56/13/48/938561348.db2.gz	MTOSILBHMSMGHA-CVEARBPZSA-N	1	0	351.414	1.386	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc3c2O[C@H](C)C3)C[C@@H]1n1ccnn1	ZINC001129936798	938564242	/nfs/dbraw/zinc/56/42/42/938564242.db2.gz	PTHAHUODSGHGDK-OLMNPRSZSA-N	1	0	365.437	1.280	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccnc3ccccc32)C[C@@H]1n1ccnn1	ZINC001129928733	938572180	/nfs/dbraw/zinc/57/21/80/938572180.db2.gz	ITYXCRHPMULUCU-MOPGFXCFSA-N	1	0	360.421	1.505	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)CCOC3)C[C@@H]1n1ccnn1	ZINC001129930715	938573019	/nfs/dbraw/zinc/57/30/19/938573019.db2.gz	QPWGXHSWBCEXEM-MOPGFXCFSA-N	1	0	367.453	1.582	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCc2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001129948950	938573933	/nfs/dbraw/zinc/57/39/33/938573933.db2.gz	HUVHGSSPARLZNE-QRQLOZEOSA-N	1	0	367.453	1.167	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc3ccccc3nn2)C[C@@H]1n1ccnn1	ZINC001129952239	938575347	/nfs/dbraw/zinc/57/53/47/938575347.db2.gz	KQRJSBYPJPZRLZ-MSOLQXFVSA-N	1	0	363.425	1.453	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n2ccnn2)C1	ZINC001129954690	938576753	/nfs/dbraw/zinc/57/67/53/938576753.db2.gz	ZLURMVYVVIWMAR-NSZAHJALSA-N	1	0	367.881	1.601	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(C)c(C)cn2)C[C@@H]1n1ccnn1	ZINC001129945464	938580767	/nfs/dbraw/zinc/58/07/67/938580767.db2.gz	NLKHIMCPGUULST-MSOLQXFVSA-N	1	0	354.458	1.911	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)[C@@H](C)CO3)C[C@@H]1n1ccnn1	ZINC001129970235	938587986	/nfs/dbraw/zinc/58/79/86/938587986.db2.gz	DYBDFOMEQZUBDH-QGTPRVQTSA-N	1	0	365.437	1.453	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H]([NH2+]CCn2cccn2)[C@@H](n2ccnn2)C1	ZINC001129972602	938591265	/nfs/dbraw/zinc/59/12/65/938591265.db2.gz	DKSCICBVRDEBBJ-ZACQAIPSSA-N	1	0	357.462	1.119	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(F)c(F)c2)C[C@@H]1n1ccnn1	ZINC001129982984	938597929	/nfs/dbraw/zinc/59/79/29/938597929.db2.gz	LRNXAEGUDSRDFR-SJORKVTESA-N	1	0	359.380	1.164	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]([NH2+]CCCOCC)[C@@H](n3ccnn3)C2)CCC1	ZINC001129994345	938603283	/nfs/dbraw/zinc/60/32/83/938603283.db2.gz	IVKAQQFNTIZRAN-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(C(F)F)n[nH]2)C[C@@H]1n1ccnn1	ZINC001130000670	938607814	/nfs/dbraw/zinc/60/78/14/938607814.db2.gz	JEUZKUYYSYNEMJ-KGLIPLIRSA-N	1	0	365.388	1.560	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]([NH2+]C[C@@H](OCC)C2CC2)[C@@H](n2ccnn2)C1	ZINC001129986690	938610019	/nfs/dbraw/zinc/61/00/19/938610019.db2.gz	JBNPFNGXVLIRLO-FGTMMUONSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]([NH2+]CCC[C@H]2CCOC2)[C@@H](n2ccnn2)C1	ZINC001129986611	938610135	/nfs/dbraw/zinc/61/01/35/938610135.db2.gz	GPCKBMSTKUKRDL-KSZLIROESA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2ccnnc2)C[C@@H]1n1ccnn1	ZINC001130017711	938618034	/nfs/dbraw/zinc/61/80/34/938618034.db2.gz	VPUCQELOPBJWGM-SJORKVTESA-N	1	0	355.446	1.470	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc(OC)c2C)C[C@@H]1n1ccnn1	ZINC001130020587	938619466	/nfs/dbraw/zinc/61/94/66/938619466.db2.gz	NHOYIWBFZCDZKH-SJORKVTESA-N	1	0	353.426	1.274	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130024253	938628230	/nfs/dbraw/zinc/62/82/30/938628230.db2.gz	OMIPRIVOKAUCKP-ZCNNSNEGSA-N	1	0	365.481	1.912	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C[C@@H]1n1ccnn1	ZINC001130026524	938629533	/nfs/dbraw/zinc/62/95/33/938629533.db2.gz	STOYOHYSVGXGHX-CVEARBPZSA-N	1	0	367.413	1.091	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2cn(C)nc2C)C[C@@H]1n1ccnn1	ZINC001130028032	938630164	/nfs/dbraw/zinc/63/01/64/938630164.db2.gz	FZHDMCWXYKCIBP-MSOLQXFVSA-N	1	0	371.489	1.261	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)COCc2ccccc2C)C[C@@H]1n1ccnn1	ZINC001130032645	938633478	/nfs/dbraw/zinc/63/34/78/938633478.db2.gz	LMQIIEWOVZSLII-MSOLQXFVSA-N	1	0	355.442	1.331	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cccn3ccnc23)C[C@@H]1n1ccnn1	ZINC001130038055	938636149	/nfs/dbraw/zinc/63/61/49/938636149.db2.gz	JNLMFDKVIYKWCY-SJORKVTESA-N	1	0	365.441	1.547	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1n1ccnn1	ZINC001130038237	938636340	/nfs/dbraw/zinc/63/63/40/938636340.db2.gz	TZGWFMXUZMZYJD-CVEARBPZSA-N	1	0	360.466	1.032	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnn(CC(C)C)c2)C[C@@H]1n1ccnn1	ZINC001130057157	938646513	/nfs/dbraw/zinc/64/65/13/938646513.db2.gz	LIVTZERKJSESIG-MSOLQXFVSA-N	1	0	371.489	1.752	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cn(C(C)C)nc2C)C[C@@H]1n1ccnn1	ZINC001130083766	938665268	/nfs/dbraw/zinc/66/52/68/938665268.db2.gz	ITJKUCYJDNYLEG-SJORKVTESA-N	1	0	355.446	1.043	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](OC)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130091312	938676723	/nfs/dbraw/zinc/67/67/23/938676723.db2.gz	KVDLTHBRKKFMFK-CEXWTWQISA-N	1	0	369.469	1.974	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COC[C@@H](C)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130107689	938687418	/nfs/dbraw/zinc/68/74/18/938687418.db2.gz	VXYQLSWNANPCAO-QRQLOZEOSA-N	1	0	367.453	1.073	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COc2ccccc2CC)C[C@@H]1n1ccnn1	ZINC001130112667	938692313	/nfs/dbraw/zinc/69/23/13/938692313.db2.gz	LNRIFRLIIGLVCQ-MSOLQXFVSA-N	1	0	367.453	1.284	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)COc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130125504	938696688	/nfs/dbraw/zinc/69/66/88/938696688.db2.gz	QVARVJZMJUIONO-NXHRZFHOSA-N	1	0	355.442	1.521	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cn2ccc3ccccc32)C[C@@H]1n1ccnn1	ZINC001130129454	938698943	/nfs/dbraw/zinc/69/89/43/938698943.db2.gz	ITMQVQLNIURDLC-MJGOQNOKSA-N	1	0	362.437	1.298	20	30		FDEDRO
O=C(CC#Cc1ccccc1)N1C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n2ccnn2)C1	ZINC001130133940	938708531	/nfs/dbraw/zinc/70/85/31/938708531.db2.gz	KSYJPXXHQRBJAH-SAUUUVTMSA-N	1	0	369.856	1.814	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001130137205	938710026	/nfs/dbraw/zinc/71/00/26/938710026.db2.gz	NLXDDFKDCQGUMY-LZQZEXGQSA-N	1	0	369.444	1.976	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)COCCOCC)C[C@@H]1n1ccnn1	ZINC001130140053	938712117	/nfs/dbraw/zinc/71/21/17/938712117.db2.gz	PTHDXQZBYHFPBO-BBWFWOEESA-N	1	0	365.478	1.027	20	30		FDEDRO
C=C[C@@H](C(=O)N1C[C@@H]([NH2+]CCCOC)[C@@H](n2ccnn2)C1)c1ccccc1	ZINC001130143269	938714514	/nfs/dbraw/zinc/71/45/14/938714514.db2.gz	QRNNNYXKNKPRGV-QRVBRYPASA-N	1	0	369.469	1.626	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2csc(C3CC3)n2)C[C@@H]1n1ccnn1	ZINC001130153182	938716825	/nfs/dbraw/zinc/71/68/25/938716825.db2.gz	CHUVMCWWTKDOTO-HIFRSBDPSA-N	1	0	356.455	1.291	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCc3ccccc32)C[C@@H]1n1ccnn1	ZINC001130158804	938720118	/nfs/dbraw/zinc/72/01/18/938720118.db2.gz	RYAUGQKSJJRLNK-SVFBPWRDSA-N	1	0	363.465	1.547	20	30		FDEDRO
C#C[C@@H](CC)NC(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000805348656	938721662	/nfs/dbraw/zinc/72/16/62/938721662.db2.gz	WPCPELHZPWRREZ-PMACEKPBSA-N	1	0	354.498	2.000	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCOCCOC)C[C@@H]1n1ccnn1	ZINC001130148205	938722471	/nfs/dbraw/zinc/72/24/71/938722471.db2.gz	KDRYGUNWEXRDST-BBWFWOEESA-N	1	0	365.478	1.027	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCCO2)[nH]1	ZINC001130181701	938728834	/nfs/dbraw/zinc/72/88/34/938728834.db2.gz	QZMHVTREWFOUEN-KKUMJFAQSA-N	1	0	363.462	1.028	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CSC(C)C)[nH]1	ZINC001130190961	938736542	/nfs/dbraw/zinc/73/65/42/938736542.db2.gz	WMYYFNPAOXRCRT-KBPBESRZSA-N	1	0	365.503	1.048	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(=O)C(C)(C)C)[nH]1	ZINC001130198412	938740250	/nfs/dbraw/zinc/74/02/50/938740250.db2.gz	JSNZYMNKVJNAJR-STQMWFEESA-N	1	0	363.462	1.074	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC=CCC2)[nH]1	ZINC001130182953	938742047	/nfs/dbraw/zinc/74/20/47/938742047.db2.gz	IHMYITOCNIGGBD-PMPSAXMXSA-N	1	0	357.458	1.263	20	30		FDEDRO
CC(C)=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C#CC(C)C)[nH]1	ZINC001130209890	938748010	/nfs/dbraw/zinc/74/80/10/938748010.db2.gz	PRFZAAPMUFZIJI-HOTGVXAUSA-N	1	0	359.474	1.509	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)[nH]1	ZINC001130210216	938748037	/nfs/dbraw/zinc/74/80/37/938748037.db2.gz	ZNCSVWOVXMCUEE-HMDCTGQHSA-N	1	0	371.485	1.671	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc[nH]c2)[nH]1	ZINC001130212992	938750053	/nfs/dbraw/zinc/75/00/53/938750053.db2.gz	NZZDSKCNOFBFFQ-GJZGRUSLSA-N	1	0	358.446	1.491	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc[nH]c2)[nH]1	ZINC001130212959	938750077	/nfs/dbraw/zinc/75/00/77/938750077.db2.gz	MWZHNYIMFFKLAK-GJZGRUSLSA-N	1	0	358.446	1.491	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccc(CC)n2)[nH]1	ZINC001130220569	938751319	/nfs/dbraw/zinc/75/13/19/938751319.db2.gz	FBYSMJDRBYJTKM-HOCLYGCPSA-N	1	0	370.457	1.340	20	30		FDEDRO
C=C(C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCF)[nH]1	ZINC001130216119	938752340	/nfs/dbraw/zinc/75/23/40/938752340.db2.gz	NCAQJBQTPKKCAQ-KBPBESRZSA-N	1	0	353.442	1.599	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)OCC(C)C)[nH]1	ZINC001130200330	938754218	/nfs/dbraw/zinc/75/42/18/938754218.db2.gz	IISMJCQEMNGSSK-ILXRZTDVSA-N	1	0	365.478	1.130	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC2(C)C)[nH]1	ZINC001130200870	938754367	/nfs/dbraw/zinc/75/43/67/938754367.db2.gz	YXGJWHDBCJHSET-KKUMJFAQSA-N	1	0	361.490	1.895	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCC(C)(F)F)[nH]1	ZINC001130221197	938756697	/nfs/dbraw/zinc/75/66/97/938756697.db2.gz	ZBKFGIGHYAQZHW-STQMWFEESA-N	1	0	369.416	1.342	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)[nH]1	ZINC001130225006	938759225	/nfs/dbraw/zinc/75/92/25/938759225.db2.gz	NDMLOGSJESOWOE-GJZGRUSLSA-N	1	0	361.490	1.895	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)co2)[nH]1	ZINC001130229913	938763295	/nfs/dbraw/zinc/76/32/95/938763295.db2.gz	HOXSOEPMLQYGFH-ZFWWWQNUSA-N	1	0	357.414	1.122	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC2(C)C)n1	ZINC001130230316	938763935	/nfs/dbraw/zinc/76/39/35/938763935.db2.gz	RTZMZHHZFWFWMR-KKUMJFAQSA-N	1	0	359.474	1.343	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1	ZINC001130232221	938764735	/nfs/dbraw/zinc/76/47/35/938764735.db2.gz	DFIAGDUACIDPOL-IHRRRGAJSA-N	1	0	353.442	1.455	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2occc2Cl)[nH]1	ZINC001130232884	938765237	/nfs/dbraw/zinc/76/52/37/938765237.db2.gz	RYOAVOQAQSAKIQ-JQWIXIFHSA-N	1	0	365.821	1.629	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2occc2C)[nH]1	ZINC001130234578	938765788	/nfs/dbraw/zinc/76/57/88/938765788.db2.gz	BMMSKUFZFLVCKL-HOCLYGCPSA-N	1	0	371.441	1.050	20	30		FDEDRO
C=CCCC1(C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CC#CC)n[nH]2)CC1	ZINC001130234613	938765948	/nfs/dbraw/zinc/76/59/48/938765948.db2.gz	DTRUZGXSUWXUMD-HOTGVXAUSA-N	1	0	371.485	1.653	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](OC)C(C)C)[nH]1	ZINC001130234952	938766167	/nfs/dbraw/zinc/76/61/67/938766167.db2.gz	QPRTTWGPVKMSFW-DZKIICNBSA-N	1	0	365.478	1.130	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCF)[nH]1	ZINC001130234931	938766193	/nfs/dbraw/zinc/76/61/93/938766193.db2.gz	PSYHZQPFGRMFER-DEYYWGMASA-N	1	0	367.469	1.845	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2C2CC2)[nH]1	ZINC001130242484	938769972	/nfs/dbraw/zinc/76/99/72/938769972.db2.gz	ZHTYULWQLLTPNL-NXOAAHMSSA-N	1	0	373.501	1.895	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCCCC(C)C)n1	ZINC001130244917	938770819	/nfs/dbraw/zinc/77/08/19/938770819.db2.gz	QQCAWQXGKFWLFI-HOTGVXAUSA-N	1	0	361.490	1.733	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H](C)c2ccco2)n1	ZINC001130246643	938771815	/nfs/dbraw/zinc/77/18/15/938771815.db2.gz	LHOAQVVNOZFMLB-DZKIICNBSA-N	1	0	371.441	1.303	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2ccc[nH]2)[nH]1	ZINC001130251267	938774541	/nfs/dbraw/zinc/77/45/41/938774541.db2.gz	KPYSFOTYURSQEO-GJZGRUSLSA-N	1	0	358.446	1.030	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)(C)C(C)(F)F)n1	ZINC001130251474	938774938	/nfs/dbraw/zinc/77/49/38/938774938.db2.gz	XHUOEYORWJOCAV-RYUDHWBXSA-N	1	0	369.416	1.198	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC)CC1	ZINC001130281611	938779515	/nfs/dbraw/zinc/77/95/15/938779515.db2.gz	KENXQXBEFUFSCA-APWZRJJASA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CSCC#N)CC1	ZINC001130274348	938786497	/nfs/dbraw/zinc/78/64/97/938786497.db2.gz	JEQBBTZZFLIERA-QAPCUYQASA-N	1	0	364.515	1.295	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[C@H](C)OC)CC1	ZINC001130285163	938789898	/nfs/dbraw/zinc/78/98/98/938789898.db2.gz	CBUKSHJTUSTHKC-VPWXQRGCSA-N	1	0	363.502	1.300	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+]([C@H](C)COC)CC1	ZINC001130287743	938792337	/nfs/dbraw/zinc/79/23/37/938792337.db2.gz	BVAAZMROKCMMCB-MDYRTPRTSA-N	1	0	363.502	1.300	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC(=C)C)CC1	ZINC001130288857	938793843	/nfs/dbraw/zinc/79/38/43/938793843.db2.gz	YICGOXSNBZRFMO-UXPWSPDFSA-N	1	0	363.502	1.365	20	30		FDEDRO
CC[C@H](F)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C#CC2CC2)CC1	ZINC001130290526	938795159	/nfs/dbraw/zinc/79/51/59/938795159.db2.gz	BHTIFQBPZIOEDB-QKLQHJQFSA-N	1	0	363.477	1.623	20	30		FDEDRO
CC[C@H](C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C#CC2CC2)CC1	ZINC001130290862	938795431	/nfs/dbraw/zinc/79/54/31/938795431.db2.gz	OTWWMGZCRANKHW-KLHJMIIUSA-N	1	0	359.514	1.921	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@@H](C)OC)CC1	ZINC001130291040	938795603	/nfs/dbraw/zinc/79/56/03/938795603.db2.gz	VIGJWZIRODWEDM-MDYRTPRTSA-N	1	0	365.518	1.853	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(C)(C)C(=C)Cl)CC1	ZINC001130292789	938796428	/nfs/dbraw/zinc/79/64/28/938796428.db2.gz	BNUCXZIVRVXIGJ-WBVHZDCISA-N	1	0	365.905	1.874	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)C(F)(F)F)CC1	ZINC001130295608	938797990	/nfs/dbraw/zinc/79/79/90/938797990.db2.gz	JZPAGJZEVHKIOZ-LNSITVRQSA-N	1	0	361.408	1.846	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](OC)C(C)C)CC1	ZINC001130299024	938799317	/nfs/dbraw/zinc/79/93/17/938799317.db2.gz	SYCDLAYNKJLSKD-NZSAHSFTSA-N	1	0	363.502	1.156	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](OC)C(C)C)CC1	ZINC001130298944	938799330	/nfs/dbraw/zinc/79/93/30/938799330.db2.gz	NRTJAVSYJFMJMC-NZSAHSFTSA-N	1	0	365.518	1.709	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)C(C)(F)F)CC1	ZINC001130301829	938800290	/nfs/dbraw/zinc/80/02/90/938800290.db2.gz	GYYLNWVMHKAAJO-XPKDYRNWSA-N	1	0	355.429	1.386	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@H](C)COC)CC1	ZINC001130305432	938803889	/nfs/dbraw/zinc/80/38/89/938803889.db2.gz	ZUWGCBWJKJTPRD-VPWXQRGCSA-N	1	0	365.518	1.711	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)CCCOC)CC1	ZINC001130307091	938804645	/nfs/dbraw/zinc/80/46/45/938804645.db2.gz	JCUNNHIPLNOOML-WDYCEAGBSA-N	1	0	363.502	1.158	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COCCC=C)CC1	ZINC001130309226	938806253	/nfs/dbraw/zinc/80/62/53/938806253.db2.gz	HYUKIJFQZBLMDU-XLIONFOSSA-N	1	0	361.486	1.078	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@H](C)c2ccc(OC)c(OC)c2C)CC1	ZINC000805832199	938827693	/nfs/dbraw/zinc/82/76/93/938827693.db2.gz	RYEMLTYHKXJZRD-MRXNPFEDSA-N	1	0	359.470	1.440	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccncc1	ZINC000805809998	938830892	/nfs/dbraw/zinc/83/08/92/938830892.db2.gz	BEFBQRSLXCPEAR-SJLPKXTDSA-N	1	0	374.485	1.432	20	30		FDEDRO
N#C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)C1CC[NH+](C2CC2)CC1	ZINC000805927684	938855217	/nfs/dbraw/zinc/85/52/17/938855217.db2.gz	FSRZSDWXUDNHQS-KRWDZBQOSA-N	1	0	370.409	1.794	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)/C=C\c2ccco2)C[C@H]1c1cn(C)cn1	ZINC001130476506	938867743	/nfs/dbraw/zinc/86/77/43/938867743.db2.gz	RGLBNMIPUPWRHQ-JKLVOYIESA-N	1	0	368.437	1.260	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1c1cn(C)cn1	ZINC001130493884	938873726	/nfs/dbraw/zinc/87/37/26/938873726.db2.gz	SMXJZTJXCQRMFV-XJKSGUPXSA-N	1	0	356.430	1.080	20	30		FDEDRO
COCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001130483022	938877245	/nfs/dbraw/zinc/87/72/45/938877245.db2.gz	LYJSSZPFMOOSRO-PKOBYXMFSA-N	1	0	367.453	1.412	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130483442	938877413	/nfs/dbraw/zinc/87/74/13/938877413.db2.gz	ZYRHVPHBDDBBKP-PKOBYXMFSA-N	1	0	352.438	1.268	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2C=CCC2)C[C@H]1c1cn(C)cn1	ZINC001130488606	938880672	/nfs/dbraw/zinc/88/06/72/938880672.db2.gz	ZNXRINJNYDTAPW-ZIFCJYIRSA-N	1	0	356.470	1.310	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ocnc2C)C[C@H]1c1cn(C)cn1	ZINC001130546499	938901621	/nfs/dbraw/zinc/90/16/21/938901621.db2.gz	DYEITWZNJDRITL-GOEBONIOSA-N	1	0	359.430	1.117	20	30		FDEDRO
COC(=O)N(C)CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000822797574	945233911	/nfs/dbraw/zinc/23/39/11/945233911.db2.gz	KGFMBBGDOJHVJF-UHFFFAOYSA-N	1	0	361.446	1.330	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnoc2C)C1	ZINC001130574213	939874858	/nfs/dbraw/zinc/87/48/58/939874858.db2.gz	NUNPQWBYRYOVGV-PKOBYXMFSA-N	1	0	369.469	1.994	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOCC(C)C)C1	ZINC001130578098	939880336	/nfs/dbraw/zinc/88/03/36/939880336.db2.gz	DLGSYFAKEAADPQ-PKOBYXMFSA-N	1	0	360.502	1.780	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOCC(C)C)C1	ZINC001130583648	939883953	/nfs/dbraw/zinc/88/39/53/939883953.db2.gz	KVFOQZWKVQJMEY-PKOBYXMFSA-N	1	0	360.502	1.636	20	30		FDEDRO
Cc1nocc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1c1cn(C)cn1	ZINC001130583928	939884709	/nfs/dbraw/zinc/88/47/09/939884709.db2.gz	YRGMFFRQIJUARC-FUHWJXTLSA-N	1	0	355.442	1.460	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@@H]2CCCCO2)C1	ZINC001130590465	939897121	/nfs/dbraw/zinc/89/71/21/939897121.db2.gz	RBJOYRBTCFQOLY-JENIJYKNSA-N	1	0	358.486	1.533	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC/C=C\CC)C1	ZINC001130592870	939899924	/nfs/dbraw/zinc/89/99/24/939899924.db2.gz	IYFQKHBDWYNESM-MVFLZGCESA-N	1	0	358.486	1.699	20	30		FDEDRO
CC[C@@H](C[NH2+][C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1c1cn(C)cn1)OC	ZINC001130594656	939901688	/nfs/dbraw/zinc/90/16/88/939901688.db2.gz	TWSDSLHHQHWDMP-XYJFISCASA-N	1	0	360.502	1.779	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2ccnn2C)C[C@H]1c1cn(C)cn1	ZINC001130599126	939904709	/nfs/dbraw/zinc/90/47/09/939904709.db2.gz	JHPCIIVXVQGTQN-PKOBYXMFSA-N	1	0	370.501	1.637	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1c1cn(C)cn1	ZINC001130611672	939909391	/nfs/dbraw/zinc/90/93/91/939909391.db2.gz	GHOXIUPINODVFV-IJEWVQPXSA-N	1	0	361.490	1.170	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C2CCC2)C[C@H]1c1cn(C)cn1	ZINC001130615308	939912705	/nfs/dbraw/zinc/91/27/05/939912705.db2.gz	PSZNNNCZTROMKH-VDZJLULYSA-N	1	0	358.486	1.390	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCc2cnn(C)c2)C1	ZINC001130602719	939914479	/nfs/dbraw/zinc/91/44/79/939914479.db2.gz	OXVJVRPXPZDQAC-PKOBYXMFSA-N	1	0	370.501	1.637	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(C3CC3)cnn2C)C[C@H]1c1cn(C)cn1	ZINC001130607501	939918932	/nfs/dbraw/zinc/91/89/32/939918932.db2.gz	FGHVOXSYYPVUNM-FUHWJXTLSA-N	1	0	368.485	1.805	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130630271	939934810	/nfs/dbraw/zinc/93/48/10/939934810.db2.gz	JXJCBSWUTYYQBE-JFRXWTBNSA-N	1	0	356.470	1.143	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C)CC(F)F)C[C@H]1c1cn(C)cn1	ZINC001130632852	939936156	/nfs/dbraw/zinc/93/61/56/939936156.db2.gz	UBTLGTCMLCCPSR-IJEWVQPXSA-N	1	0	370.444	1.798	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cn(C(C)C)cn2)C[C@H]1c1cn(C)cn1	ZINC001130632943	939936493	/nfs/dbraw/zinc/93/64/93/939936493.db2.gz	WZQPBTVGEJRKRY-DOTOQJQBSA-N	1	0	354.458	1.419	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)COCC(F)F)C[C@H]1c1cn(C)cn1	ZINC001130638041	939940556	/nfs/dbraw/zinc/94/05/56/939940556.db2.gz	ZAVQIVMYHBDNHT-IJEWVQPXSA-N	1	0	370.444	1.941	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC2(C)C)C[C@H]1c1cn(C)cn1	ZINC001130647133	939955752	/nfs/dbraw/zinc/95/57/52/939955752.db2.gz	XAZMYFAQMSUWRY-LZLYRXPVSA-N	1	0	358.486	1.390	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)cc2C)C[C@H]1c1cn(C)cn1	ZINC001130661855	939967246	/nfs/dbraw/zinc/96/72/46/939967246.db2.gz	COQBOHNGSMNRKX-AZUAARDMSA-N	1	0	366.465	1.958	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cc2OC)C[C@H]1c1cn(C)cn1	ZINC001130678192	939967744	/nfs/dbraw/zinc/96/77/44/939967744.db2.gz	RQHJRVHZWARHRH-GOEBONIOSA-N	1	0	371.441	1.303	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+][C@@H](C)COC)C2)c1	ZINC001130671986	939971057	/nfs/dbraw/zinc/97/10/57/939971057.db2.gz	FJIKJHZMKGTLFJ-UCLAIMLFSA-N	1	0	367.453	1.029	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3nc[nH]c32)C[C@H]1c1cn(C)cn1	ZINC001130672457	939971455	/nfs/dbraw/zinc/97/14/55/939971455.db2.gz	PVXBHUQFMQDFFU-RLFYNMQTSA-N	1	0	366.469	1.171	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2cc(C)on2)C[C@H]1c1cn(C)cn1	ZINC001130675541	939973390	/nfs/dbraw/zinc/97/33/90/939973390.db2.gz	VCQWKTMDNFKPNT-FUHWJXTLSA-N	1	0	355.442	1.257	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2coc(C3CC3)n2)C[C@H]1c1cn(C)cn1	ZINC001130687466	939977155	/nfs/dbraw/zinc/97/71/55/939977155.db2.gz	BDOPQDXEUGLUJD-GOEBONIOSA-N	1	0	353.426	1.507	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCCC)C2)nn1	ZINC001130687798	939977818	/nfs/dbraw/zinc/97/78/18/939977818.db2.gz	QUNNHDOFEMYWEC-GOEBONIOSA-N	1	0	357.462	1.196	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#CC)C1	ZINC001130689709	939979503	/nfs/dbraw/zinc/97/95/03/939979503.db2.gz	HBWYHDUAQWOZQE-XEYPJELSSA-N	1	0	370.497	1.699	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]cn2)C[C@H]1c1cn(C)cn1	ZINC001130690126	939979945	/nfs/dbraw/zinc/97/99/45/939979945.db2.gz	YEFIXTJRSORTCE-HHXXYDBFSA-N	1	0	370.501	1.872	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2ccco2)C[C@H]1c1cn(C)cn1	ZINC001130690150	939980070	/nfs/dbraw/zinc/98/00/70/939980070.db2.gz	ZHRVLGCUZBGCTL-VDZJLULYSA-N	1	0	354.454	1.799	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2ncccn2)C[C@H]1c1cn(C)cn1	ZINC001130692367	939980898	/nfs/dbraw/zinc/98/08/98/939980898.db2.gz	GTCSMOZFSHOFHX-FUHWJXTLSA-N	1	0	368.485	1.693	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@H]1c1cn(C)cn1	ZINC001130682812	939982746	/nfs/dbraw/zinc/98/27/46/939982746.db2.gz	KBTYKSSNEXVMCK-GXTWGEPZSA-N	1	0	354.376	1.670	20	30		FDEDRO
CCC(CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#CCOC)C1	ZINC001130704621	939985366	/nfs/dbraw/zinc/98/53/66/939985366.db2.gz	XAAJJRIKCMSDBY-PKOBYXMFSA-N	1	0	360.502	1.780	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCCOC2)C[C@H]1c1cn(C)cn1	ZINC001130700804	939995963	/nfs/dbraw/zinc/99/59/63/939995963.db2.gz	FWXOASCBCNLMTR-JENIJYKNSA-N	1	0	358.486	1.534	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COc2ccsc2)C[C@H]1c1cn(C)cn1	ZINC001130710114	939998108	/nfs/dbraw/zinc/99/81/08/939998108.db2.gz	NHTKTQUZYKIHBY-DOTOQJQBSA-N	1	0	358.467	1.468	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]C[C@H](F)CC)C2)cn1	ZINC001130715278	940007741	/nfs/dbraw/zinc/00/77/41/940007741.db2.gz	WFYQROHUGWNOJJ-HHXXYDBFSA-N	1	0	369.444	1.742	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cccnc2)C[C@H]1c1cn(C)cn1	ZINC001130715416	940007908	/nfs/dbraw/zinc/00/79/08/940007908.db2.gz	ZAOSJGQXVYFQNF-VDZJLULYSA-N	1	0	351.454	1.526	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnc(OC)nc2)C[C@H]1c1cn(C)cn1	ZINC001130708499	940014439	/nfs/dbraw/zinc/01/44/39/940014439.db2.gz	UJZTWTSGALUIIJ-DOTOQJQBSA-N	1	0	370.457	1.383	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(OC)cc2)C[C@H]1c1cn(C)cn1	ZINC001130719681	940023210	/nfs/dbraw/zinc/02/32/10/940023210.db2.gz	ZWPZQSWYAKYHNX-AZUAARDMSA-N	1	0	366.465	1.579	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)onc2CC)C[C@H]1c1cn(C)cn1	ZINC001130725711	940030385	/nfs/dbraw/zinc/03/03/85/940030385.db2.gz	BAFTWGUZYLNWGZ-WMLDXEAASA-N	1	0	355.442	1.500	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COC[C@H]2CCCO2)C[C@H]1c1cn(C)cn1	ZINC001130739837	940041934	/nfs/dbraw/zinc/04/19/34/940041934.db2.gz	QKKFAIMKTCHHHD-SOLBZPMBSA-N	1	0	362.474	1.076	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CNC(=O)[C@@H](C)CC)C[C@H]1c1cn(C)cn1	ZINC001130731520	940044786	/nfs/dbraw/zinc/04/47/86/940044786.db2.gz	IAVHQDKGUKUXJV-YQQAZPJKSA-N	1	0	361.490	1.043	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(F)F)n2)O1	ZINC001130749947	940057739	/nfs/dbraw/zinc/05/77/39/940057739.db2.gz	WDXROYVDYCXXLR-GRYCIOLGSA-N	1	0	357.405	1.850	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cccc(F)c3)n2)O1	ZINC001130753175	940062645	/nfs/dbraw/zinc/06/26/45/940062645.db2.gz	VBUVNOVYPGFBPP-JKSUJKDBSA-N	1	0	371.416	1.707	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3CCOCC3)n2)O1	ZINC001130754250	940064866	/nfs/dbraw/zinc/06/48/66/940064866.db2.gz	AMWOERPEPBMNAZ-LSDHHAIUSA-N	1	0	363.462	1.233	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCOC3)n2)O1	ZINC001130761959	940068014	/nfs/dbraw/zinc/06/80/14/940068014.db2.gz	JSBSCMLHZKXBAX-SOUVJXGZSA-N	1	0	363.462	1.233	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cnc(C)s3)n2)O1	ZINC001130762017	940069193	/nfs/dbraw/zinc/06/91/93/940069193.db2.gz	MAVKJPSSSRMBDQ-NWDGAFQWSA-N	1	0	362.459	1.495	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCc3ccco3)n2)O1	ZINC001130756414	940078629	/nfs/dbraw/zinc/07/86/29/940078629.db2.gz	FYKVXZMLRXVSIN-LSDHHAIUSA-N	1	0	359.430	1.642	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccccc3O)n2)O1	ZINC001130758303	940084119	/nfs/dbraw/zinc/08/41/19/940084119.db2.gz	XCDVVGBFKNSAIH-XJKSGUPXSA-N	1	0	369.425	1.273	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C)nc3)C2)C1=O	ZINC001086646615	940098810	/nfs/dbraw/zinc/09/88/10/940098810.db2.gz	CCFBYEQLYFZMAX-CGTJXYLNSA-N	1	0	356.470	1.665	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)CSC)n2)O1	ZINC001130772669	940113360	/nfs/dbraw/zinc/11/33/60/940113360.db2.gz	XDWFFNRYJTYLFR-HZSPNIEDSA-N	1	0	367.519	1.806	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[C@@H](C)OC)n2)O1	ZINC001130777259	940128293	/nfs/dbraw/zinc/12/82/93/940128293.db2.gz	ZCOWHTKFDFPSIC-QLFBSQMISA-N	1	0	365.478	1.622	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC(=C)C)O2)n[nH]1	ZINC001130778021	940130884	/nfs/dbraw/zinc/13/08/84/940130884.db2.gz	AVYDBUHHOLBQJW-PMUMKWKESA-N	1	0	363.462	1.134	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H](C)SC)n2)O1	ZINC001130781214	940136316	/nfs/dbraw/zinc/13/63/16/940136316.db2.gz	UFKATZUXTQWHFJ-RWMBFGLXSA-N	1	0	353.492	1.558	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](OC)C3CC3)n2)O1	ZINC001130783295	940142970	/nfs/dbraw/zinc/14/29/70/940142970.db2.gz	VUKZFEJNNDVDKL-LZWOXQAQSA-N	1	0	363.462	1.232	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(F)c[nH]3)n2)O1	ZINC001130794005	940144835	/nfs/dbraw/zinc/14/48/35/940144835.db2.gz	HLEUFNOKLXYEIR-GXTWGEPZSA-N	1	0	360.393	1.035	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cnco3)n2)O1	ZINC001130794129	940145512	/nfs/dbraw/zinc/14/55/12/940145512.db2.gz	NEFGFZTVYPVANI-QWHCGFSZSA-N	1	0	360.418	1.499	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(C)(C)C3CCC3)n2)O1	ZINC001130794385	940146183	/nfs/dbraw/zinc/14/61/83/940146183.db2.gz	UUMGXJOHRIQKBZ-LSDHHAIUSA-N	1	0	359.474	1.690	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](CCC)OCC)n2)O1	ZINC001130796087	940150340	/nfs/dbraw/zinc/15/03/40/940150340.db2.gz	HTRAETCPVAFFDP-RRFJBIMHSA-N	1	0	365.478	1.622	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3C[C@H]3C(C)(C)C)n2)O1	ZINC001130792759	940172445	/nfs/dbraw/zinc/17/24/45/940172445.db2.gz	XDUXKSROHMBNII-GBJTYRQASA-N	1	0	359.474	1.546	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCC)O2)n[nH]1	ZINC001130806904	940181563	/nfs/dbraw/zinc/18/15/63/940181563.db2.gz	MJHSNPISRAXHAK-LJISPDSOSA-N	1	0	363.462	1.232	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC34CCC4)n2)O1	ZINC001130809469	940188052	/nfs/dbraw/zinc/18/80/52/940188052.db2.gz	ZVIZDRDCFUAWOD-SOUVJXGZSA-N	1	0	359.474	1.997	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](F)CC)n2)O1	ZINC001130799507	940191932	/nfs/dbraw/zinc/19/19/32/940191932.db2.gz	KHBMQEZJJDAEOL-BFHYXJOUSA-N	1	0	353.442	1.945	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3C[C@H]4C[C@H]4C3)n2)O1	ZINC001130799608	940193263	/nfs/dbraw/zinc/19/32/63/940193263.db2.gz	OMZCYLPOSWUNRT-CQJMVSDSSA-N	1	0	357.458	1.300	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)C(F)(F)F)n2)O1	ZINC001130799657	940193795	/nfs/dbraw/zinc/19/37/95/940193795.db2.gz	QPZJRJIKIPQENE-GARJFASQSA-N	1	0	359.352	1.062	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccnc(C)c3)n2)O1	ZINC001130811627	940204461	/nfs/dbraw/zinc/20/44/61/940204461.db2.gz	AKFKKKCLECSEHJ-JKSUJKDBSA-N	1	0	368.441	1.271	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccnc(C)c3)n2)O1	ZINC001130812027	940206555	/nfs/dbraw/zinc/20/65/55/940206555.db2.gz	XYJKDXIWWVWLSC-LSDHHAIUSA-N	1	0	356.430	1.434	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ncccn3)n2)O1	ZINC001130813605	940212313	/nfs/dbraw/zinc/21/23/13/940212313.db2.gz	UECNGESDIXZPKP-UONOGXRCSA-N	1	0	371.445	1.301	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cnoc3C3CC3)n2)O1	ZINC001130816193	940218013	/nfs/dbraw/zinc/21/80/13/940218013.db2.gz	PEDWRZQFVYYKTE-GXTWGEPZSA-N	1	0	370.413	1.043	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C)cc(C)c3)n2)O1	ZINC001130817311	940221935	/nfs/dbraw/zinc/22/19/35/940221935.db2.gz	LHZONKLJELXPLG-DLBZAZTESA-N	1	0	367.453	1.794	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H](C)C3CC3)n2)O1	ZINC001130819666	940226053	/nfs/dbraw/zinc/22/60/53/940226053.db2.gz	CDTNAFNFGKDWPC-VNQPRFMTSA-N	1	0	359.474	1.690	20	30		FDEDRO
CCOC(=O)C1=C(Nc2cc(C#N)cc(OC)c2OC(C)=O)CC[NH2+]C1	ZINC001170516852	940237364	/nfs/dbraw/zinc/23/73/64/940237364.db2.gz	HPYBPLFVIACMIG-UHFFFAOYSA-N	1	0	359.382	1.715	20	30		FDEDRO
CCOC(=O)C1C[NH2+]CCC1=Nc1nccc(Br)c1C#N	ZINC001170517232	940241276	/nfs/dbraw/zinc/24/12/76/940241276.db2.gz	MQKBNVRFCDAYTH-UHFFFAOYSA-N	1	0	351.204	1.938	20	30		FDEDRO
COCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#Cc2ccccc2)C1	ZINC001130893272	940289285	/nfs/dbraw/zinc/28/92/85/940289285.db2.gz	FWOSGZZMRZGSPJ-RTBURBONSA-N	1	0	366.465	1.392	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1c1cncn1C	ZINC001130897570	940300664	/nfs/dbraw/zinc/30/06/64/940300664.db2.gz	GSFYFNMKLVFBLG-ARFHVFGLSA-N	1	0	360.458	1.547	20	30		FDEDRO
C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1	ZINC000807336493	940324563	/nfs/dbraw/zinc/32/45/63/940324563.db2.gz	DLBPGCTUVNVPNU-QGZVFWFLSA-N	1	0	373.416	1.957	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(=O)NC(C)(C)C)C1	ZINC001130931350	940340572	/nfs/dbraw/zinc/34/05/72/940340572.db2.gz	VBTUSBIILQWDMP-HUUCEWRRSA-N	1	0	361.490	1.185	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnnc(C)c2)C[C@H]1c1cncn1C	ZINC001130969096	940376855	/nfs/dbraw/zinc/37/68/55/940376855.db2.gz	OZGBCFDKZZGYNS-IAGOWNOFSA-N	1	0	354.458	1.683	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnc(C)o2)C1	ZINC001130971717	940380948	/nfs/dbraw/zinc/38/09/48/940380948.db2.gz	ZDJMLZBBMPIPOM-IAGOWNOFSA-N	1	0	355.442	1.604	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2cccnc2)C[C@H]1c1cncn1C	ZINC001130964381	940385741	/nfs/dbraw/zinc/38/57/41/940385741.db2.gz	IGAZYAMWYHLUPM-QZTJIDSGSA-N	1	0	353.470	1.908	20	30		FDEDRO
C#CCCN1CCN(C(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)CC1	ZINC000822935312	945318142	/nfs/dbraw/zinc/31/81/42/945318142.db2.gz	PMJJBZBYQHDBJZ-DHZHZOJOSA-N	1	0	355.482	1.808	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC/C=C/CC)C1	ZINC001130983182	940397914	/nfs/dbraw/zinc/39/79/14/940397914.db2.gz	OWHVYNSBUVKJHA-JFDOBCTDSA-N	1	0	360.502	1.988	20	30		FDEDRO
COCCCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1c1cncn1C	ZINC001130975675	940403586	/nfs/dbraw/zinc/40/35/86/940403586.db2.gz	LDYLHIBMNLHFFS-IAGOWNOFSA-N	1	0	370.457	1.244	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@H](F)CC)C1	ZINC001130988394	940410464	/nfs/dbraw/zinc/41/04/64/940410464.db2.gz	DJCQXYAFPOTDKT-BZUAXINKSA-N	1	0	350.438	1.092	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2ccnn2C)C[C@H]1c1cncn1C	ZINC001130991594	940414638	/nfs/dbraw/zinc/41/46/38/940414638.db2.gz	SZWHQAUAIGXPHK-BZUAXINKSA-N	1	0	356.474	1.417	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)CCC3)C[C@H]1c1cncn1C	ZINC001130994240	940416492	/nfs/dbraw/zinc/41/64/92/940416492.db2.gz	OYWTUPKESOHBKW-HZPDHXFCSA-N	1	0	368.485	1.727	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)nn2)C[C@H]1c1cncn1C	ZINC001130985646	940422865	/nfs/dbraw/zinc/42/28/65/940422865.db2.gz	KOPKPYNIKPIAJV-NVXWUHKLSA-N	1	0	354.458	1.683	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(=O)N(C)CC)C1	ZINC001131002029	940428603	/nfs/dbraw/zinc/42/86/03/940428603.db2.gz	YDPBRIPFBKPSBM-HZPDHXFCSA-N	1	0	361.490	1.139	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@H](CC)C(N)=O)C1	ZINC001131003262	940429643	/nfs/dbraw/zinc/42/96/43/940429643.db2.gz	AQWZDIGIKGPCOF-RBSFLKMASA-N	1	0	361.490	1.170	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCOCC=C)C2)CCC1	ZINC001131007658	940433732	/nfs/dbraw/zinc/43/37/32/940433732.db2.gz	FBHRKNYORWDMBR-QZTJIDSGSA-N	1	0	370.497	1.700	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCCC3)C[C@H]1c1cncn1C	ZINC001131017704	940438643	/nfs/dbraw/zinc/43/86/43/940438643.db2.gz	HMWJPSPNMQDTJN-SJLPKXTDSA-N	1	0	368.485	1.727	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)c(F)c2)C[C@H]1c1cncn1C	ZINC001131010453	940441175	/nfs/dbraw/zinc/44/11/75/940441175.db2.gz	MJCQQQNAJWVRKE-NVXWUHKLSA-N	1	0	370.428	1.789	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnc(C3CC3)o2)C[C@H]1c1cncn1C	ZINC001131010341	940441183	/nfs/dbraw/zinc/44/11/83/940441183.db2.gz	JSLXPLGRQJMTAJ-HUUCEWRRSA-N	1	0	353.426	1.507	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2[nH]c(=O)[nH]c2C)C[C@H]1c1cncn1C	ZINC001131014695	940448354	/nfs/dbraw/zinc/44/83/54/940448354.db2.gz	FUDGUXOQSXLLCN-ZIAGYGMSSA-N	1	0	358.446	1.321	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn(C(C)(C)C)c2)C[C@H]1c1cncn1C	ZINC001131022600	940455859	/nfs/dbraw/zinc/45/58/59/940455859.db2.gz	BQBSESOSVCDNCU-IAGOWNOFSA-N	1	0	368.485	1.593	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCOC[C@H]2CCCO2)C[C@H]1c1cncn1C	ZINC001131023012	940456463	/nfs/dbraw/zinc/45/64/63/940456463.db2.gz	NJZOXMDQAJVHRI-BRWVUGGUSA-N	1	0	362.474	1.076	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccnc(C3CC3)c2)C[C@H]1c1cncn1C	ZINC001131026143	940459664	/nfs/dbraw/zinc/45/96/64/940459664.db2.gz	XIRRRPDNUYWSCO-IEBWSBKVSA-N	1	0	363.465	1.914	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)cc1C#N	ZINC000807699634	940461850	/nfs/dbraw/zinc/46/18/50/940461850.db2.gz	AJYWHMZJBJSJCB-HNNXBMFYSA-N	1	0	372.469	1.564	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ncc(Cl)s2)C[C@H]1c1cncn1C	ZINC001131028718	940463019	/nfs/dbraw/zinc/46/30/19/940463019.db2.gz	FCVRXYPBMPYEOT-VXGBXAGGSA-N	1	0	363.874	1.751	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccnc(OC)n2)C[C@H]1c1cncn1C	ZINC001131028865	940463640	/nfs/dbraw/zinc/46/36/40/940463640.db2.gz	NAGZVVPHTFYODP-GDBMZVCRSA-N	1	0	370.457	1.383	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCOC3)C2)cc1C#N	ZINC001086654659	940464583	/nfs/dbraw/zinc/46/45/83/940464583.db2.gz	UXYLRFXKNVVNJC-XYJFISCASA-N	1	0	357.454	1.978	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2ccc(C)n2)C[C@H]1c1cncn1C	ZINC001131049160	940470603	/nfs/dbraw/zinc/47/06/03/940470603.db2.gz	QWDUTDBXVDKUGI-RCCFBDPRSA-N	1	0	368.485	1.484	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2cnn(C)c2)C[C@H]1c1cncn1C	ZINC001131041999	940471477	/nfs/dbraw/zinc/47/14/77/940471477.db2.gz	IRESEAYANBFMNW-KBAYOESNSA-N	1	0	370.501	1.808	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2nc(C)no2)C[C@H]1c1cncn1C	ZINC001131043724	940472828	/nfs/dbraw/zinc/47/28/28/940472828.db2.gz	GDAJHPRRXUGOJB-HUUCEWRRSA-N	1	0	358.446	1.204	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc[nH]c2C2CC2)C[C@H]1c1cncn1C	ZINC001131054174	940480991	/nfs/dbraw/zinc/48/09/91/940480991.db2.gz	WYKPWXPUHGVXBH-IAGOWNOFSA-N	1	0	351.454	1.847	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](CCC)c2ccccn2)C[C@H]1c1cncn1C	ZINC001131055618	940481511	/nfs/dbraw/zinc/48/15/11/940481511.db2.gz	FCIGBZOUCQEEOG-ZHALLVOQSA-N	1	0	365.481	1.916	20	30		FDEDRO
C=CCn1c(Cc2noc([C@H]3CC[NH2+][C@H]3CC)n2)nnc1N1CCOCC1	ZINC000822942579	945324844	/nfs/dbraw/zinc/32/48/44/945324844.db2.gz	ZPMKARSLVNGSCT-KBPBESRZSA-N	1	0	373.461	1.130	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(CF)CCOCC2)C[C@H]1c1cncn1C	ZINC001131070315	940484405	/nfs/dbraw/zinc/48/44/05/940484405.db2.gz	OVGDMIRPZHLOAI-HZPDHXFCSA-N	1	0	362.449	1.094	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC23CCC3)C[C@H]1c1cncn1C	ZINC001131082101	940487879	/nfs/dbraw/zinc/48/78/79/940487879.db2.gz	IHOUHFQBULXZFW-IXDOHACOSA-N	1	0	356.470	1.144	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccn(CC)n2)C[C@H]1c1cncn1C	ZINC001131082351	940487983	/nfs/dbraw/zinc/48/79/83/940487983.db2.gz	OIFXMKKRIATQAC-NVXWUHKLSA-N	1	0	356.474	1.801	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@H](CC)C(N)=O)C1	ZINC001131082192	940488039	/nfs/dbraw/zinc/48/80/39/940488039.db2.gz	KRKQJFAFLSWTLO-RBSFLKMASA-N	1	0	361.490	1.170	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(CC)cn2)C[C@H]1c1cncn1C	ZINC001131075943	940491173	/nfs/dbraw/zinc/49/11/73/940491173.db2.gz	AHNBDVWPSWJWRT-RTBURBONSA-N	1	0	365.481	1.528	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2noc3c2CCCC3)C[C@H]1c1cncn1C	ZINC001131079730	940492202	/nfs/dbraw/zinc/49/22/02/940492202.db2.gz	RAHUKEZLPUBSJQ-HZPDHXFCSA-N	1	0	367.453	1.508	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)[nH]c2C)C[C@H]1c1cncn1C	ZINC001131079448	940492285	/nfs/dbraw/zinc/49/22/85/940492285.db2.gz	LSWIVWNJSGYMMO-QZTJIDSGSA-N	1	0	369.469	1.213	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2oc(C3CC3)nc2C)C[C@H]1c1cncn1C	ZINC001131086476	940493528	/nfs/dbraw/zinc/49/35/28/940493528.db2.gz	PRJUKZGCDLEOKU-HZPDHXFCSA-N	1	0	367.453	1.815	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2ccco2)C[C@H]1c1cncn1C	ZINC001131089522	940494700	/nfs/dbraw/zinc/49/47/00/940494700.db2.gz	LFRUJJBINJKTTD-CGTJXYLNSA-N	1	0	354.454	1.799	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)c2cnon2)C[C@H]1c1cncn1C	ZINC001131091477	940495734	/nfs/dbraw/zinc/49/57/34/940495734.db2.gz	JNLCAXSDDSPVQC-GDBMZVCRSA-N	1	0	360.462	1.971	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@H]1c1cncn1C	ZINC001131110664	940498318	/nfs/dbraw/zinc/49/83/18/940498318.db2.gz	SZPMIIUEMUWEMD-IAGOWNOFSA-N	1	0	369.469	1.283	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ncccc2OC)C[C@H]1c1cncn1C	ZINC001131117547	940504167	/nfs/dbraw/zinc/50/41/67/940504167.db2.gz	CSUGRZBVDJEPJL-HUUCEWRRSA-N	1	0	353.426	1.045	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3ccccc32)C[C@H]1c1cncn1C	ZINC001131119476	940505192	/nfs/dbraw/zinc/50/51/92/940505192.db2.gz	FCGGDYGHVBHXEY-NVXWUHKLSA-N	1	0	362.437	1.518	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CNC(=O)C(C)(C)C)C[C@H]1c1cncn1C	ZINC001131121144	940506535	/nfs/dbraw/zinc/50/65/35/940506535.db2.gz	OAEOREFXJZROEH-HUUCEWRRSA-N	1	0	361.490	1.043	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccnc2N(C)C)C[C@H]1c1cncn1C	ZINC001131121484	940506678	/nfs/dbraw/zinc/50/66/78/940506678.db2.gz	VTRCNSMJVFFELO-IAGOWNOFSA-N	1	0	366.469	1.102	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2nc(C)c(C)s2)C[C@H]1c1cncn1C	ZINC001131123336	940506978	/nfs/dbraw/zinc/50/69/78/940506978.db2.gz	CHFCTTRANPFVSK-HUUCEWRRSA-N	1	0	357.483	1.715	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2c(C)n[nH]c2C)C[C@H]1c1cncn1C	ZINC001131123759	940507264	/nfs/dbraw/zinc/50/72/64/940507264.db2.gz	SKUOVOXYWBUNHV-QZTJIDSGSA-N	1	0	370.501	1.853	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCOc2cccnc2)C[C@H]1c1cncn1C	ZINC001131125368	940507540	/nfs/dbraw/zinc/50/75/40/940507540.db2.gz	BLTJJXZRKXYFGG-QZTJIDSGSA-N	1	0	369.469	1.744	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](F)Cc2ccccc2)C[C@H]1c1cncn1C	ZINC001131126337	940508086	/nfs/dbraw/zinc/50/80/86/940508086.db2.gz	XUJSFNUMLSMETQ-CEXWTWQISA-N	1	0	368.456	1.908	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)cn2)C[C@H]1c1cncn1C	ZINC001131127747	940509680	/nfs/dbraw/zinc/50/96/80/940509680.db2.gz	ATBOZHFSUVHEDV-SJLPKXTDSA-N	1	0	368.485	1.655	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[C@H]1CCCO1	ZINC000808022044	940512335	/nfs/dbraw/zinc/51/23/35/940512335.db2.gz	FVOGAJNYORGNAQ-XYVMCAHJSA-N	1	0	361.486	1.053	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C/C=C\Cl)C1	ZINC001131136427	940513474	/nfs/dbraw/zinc/51/34/74/940513474.db2.gz	MVZYVCFOBKODTO-JBZXTQMFSA-N	1	0	352.866	1.649	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cccnc2)C1	ZINC001131136541	940513571	/nfs/dbraw/zinc/51/35/71/940513571.db2.gz	RTXSBIOEHHMVHU-KBAYOESNSA-N	1	0	369.469	1.490	20	30		FDEDRO
C#CCCS(=O)(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1	ZINC000808304746	940539373	/nfs/dbraw/zinc/53/93/73/940539373.db2.gz	QYXLFSJHMBCCQB-MSOLQXFVSA-N	1	0	355.548	1.609	20	30		FDEDRO
C[NH+](C)CCCOc1cnccc1CNC(=O)NCc1ccc(C#N)cn1	ZINC000808306954	940539751	/nfs/dbraw/zinc/53/97/51/940539751.db2.gz	GWPNZFGTTNAFRK-UHFFFAOYSA-N	1	0	368.441	1.678	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CSC(C)C)C1	ZINC001131301303	940547147	/nfs/dbraw/zinc/54/71/47/940547147.db2.gz	RFYZQFWEFLILMK-XHSDSOJGSA-N	1	0	367.515	1.810	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C#CC2CC2)C1	ZINC001131306942	940548787	/nfs/dbraw/zinc/54/87/87/940548787.db2.gz	COOKMCGIDIIVCC-KURKYZTESA-N	1	0	357.454	1.472	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C#CC(C)C)C1	ZINC001131307627	940549302	/nfs/dbraw/zinc/54/93/02/940549302.db2.gz	YJEHJPNODKHQEV-KSZLIROESA-N	1	0	359.470	1.718	20	30		FDEDRO
C=C(C)CN1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1	ZINC001131316795	940551057	/nfs/dbraw/zinc/55/10/57/940551057.db2.gz	WNXBCVIGENJNGP-ZACQAIPSSA-N	1	0	364.490	1.010	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3oc(C)nc3C)C2)C1=O	ZINC001086664853	940552051	/nfs/dbraw/zinc/55/20/51/940552051.db2.gz	GUIHTPLRDNICOH-XHSDSOJGSA-N	1	0	360.458	1.566	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc4n3CCCC4)C2)c1	ZINC001086668508	940563152	/nfs/dbraw/zinc/56/31/52/940563152.db2.gz	QUSDXZBOWFOALR-DZGCQCFKSA-N	1	0	367.457	1.502	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C=C(C)C)CC1	ZINC001131410388	940565983	/nfs/dbraw/zinc/56/59/83/940565983.db2.gz	GFOOFLNSUIAPBD-WDYCEAGBSA-N	1	0	363.502	1.629	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)SC)CC1	ZINC001131431935	940595247	/nfs/dbraw/zinc/59/52/47/940595247.db2.gz	WZVOHLXYFPZVNX-OIISXLGYSA-N	1	0	356.532	1.926	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCCOC)CC1	ZINC001131448714	940602375	/nfs/dbraw/zinc/60/23/75/940602375.db2.gz	OATPYPMLUHZQDJ-QUCCMNQESA-N	1	0	366.502	1.439	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCCOC)CC1	ZINC001131451483	940605266	/nfs/dbraw/zinc/60/52/66/940605266.db2.gz	MQLXPGWDAQJKSY-HQRMLTQVSA-N	1	0	368.518	1.990	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC(N)=O)CC1	ZINC001131455835	940609855	/nfs/dbraw/zinc/60/98/55/940609855.db2.gz	DFUCSKLSPCOXSX-APWZRJJASA-N	1	0	351.491	1.594	20	30		FDEDRO
COCCOCC[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N	ZINC000808791368	940611626	/nfs/dbraw/zinc/61/16/26/940611626.db2.gz	USTOPBXOKXYTRU-HNNXBMFYSA-N	1	0	354.410	1.818	20	30		FDEDRO
COCCOCC[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N	ZINC000808791369	940611700	/nfs/dbraw/zinc/61/17/00/940611700.db2.gz	USTOPBXOKXYTRU-OAHLLOKOSA-N	1	0	354.410	1.818	20	30		FDEDRO
COC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1	ZINC001131464445	940622341	/nfs/dbraw/zinc/62/23/41/940622341.db2.gz	RIYBNYTVNPPWKZ-XCRHUMRWSA-N	1	0	360.458	1.521	20	30		FDEDRO
C#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCC[C@H](C)O)CC1	ZINC001131488012	940631772	/nfs/dbraw/zinc/63/17/72/940631772.db2.gz	SGHFILGBQWXILB-HQRMLTQVSA-N	1	0	350.503	1.937	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2cncnc2)CC1	ZINC001131480806	940636886	/nfs/dbraw/zinc/63/68/86/940636886.db2.gz	SRENQJQQYRXYFT-QUCCMNQESA-N	1	0	358.486	1.971	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)/C=C(/C)CC)CC1	ZINC001131493581	940644121	/nfs/dbraw/zinc/64/41/21/940644121.db2.gz	JGIPCWBYAYAOMD-ULTSILNXSA-N	1	0	361.486	1.078	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn(C3CCC3)nn2)CC1	ZINC001131498570	940648800	/nfs/dbraw/zinc/64/88/00/940648800.db2.gz	FLFVRXATLPWJES-MJGOQNOKSA-N	1	0	371.485	1.626	20	30		FDEDRO
C=C(C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H]2CCCNC2=O)CC1	ZINC001131510667	940659929	/nfs/dbraw/zinc/65/99/29/940659929.db2.gz	WJSYGRAYKPEBDG-AOIWGVFYSA-N	1	0	363.502	1.607	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCn2ccccc2=O)CC1	ZINC001131510674	940659942	/nfs/dbraw/zinc/65/99/42/940659942.db2.gz	WUXBAXQTZAIBHI-NQIIRXRSSA-N	1	0	371.481	1.247	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccn(C(F)F)n2)CC1	ZINC001131506780	940669150	/nfs/dbraw/zinc/66/91/50/940669150.db2.gz	OJLNSGSETPRZQX-ZBFHGGJFSA-N	1	0	366.412	1.901	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCNC2=O)CC1	ZINC001131515379	940679642	/nfs/dbraw/zinc/67/96/42/940679642.db2.gz	HHYOLPHMCXTKJP-KSZLIROESA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)C(N)=O)CC1	ZINC001131515370	940679709	/nfs/dbraw/zinc/67/97/09/940679709.db2.gz	GZEGPXCFOYVLOB-CVEARBPZSA-N	1	0	351.491	1.450	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccsn2)CC1	ZINC001131517528	940684941	/nfs/dbraw/zinc/68/49/41/940684941.db2.gz	WGKODTQVFXWOFA-WBVHZDCISA-N	1	0	365.499	1.945	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H]2CCC(=O)NC2)CC1	ZINC001131512180	940694784	/nfs/dbraw/zinc/69/47/84/940694784.db2.gz	RINRIVPRQNIOOU-VPWXQRGCSA-N	1	0	363.502	1.465	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ncc3ccccn32)CC1	ZINC001131531720	940700483	/nfs/dbraw/zinc/70/04/83/940700483.db2.gz	FHTBHHAIMGFFCC-MOPGFXCFSA-N	1	0	366.465	1.957	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCn3ccnc3C2)CC1	ZINC001131522373	940705462	/nfs/dbraw/zinc/70/54/62/940705462.db2.gz	DSLCHNFQDJLZEZ-NSHGMRRFSA-N	1	0	370.497	1.455	20	30		FDEDRO
C#CCCCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H](C)O)CC1	ZINC001131543687	940719515	/nfs/dbraw/zinc/71/95/15/940719515.db2.gz	ONWDAWNHJIZRDT-POAQFYNOSA-N	1	0	350.503	1.937	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)CC1	ZINC001131564572	940740551	/nfs/dbraw/zinc/74/05/51/940740551.db2.gz	PNNSQRGCOSHHGC-MLYOOKFZSA-N	1	0	370.497	1.533	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H](OC)C(F)(F)F)CC1	ZINC001131590744	940760869	/nfs/dbraw/zinc/76/08/69/940760869.db2.gz	RASQCBRCRHWUML-FMKPAKJESA-N	1	0	362.392	1.573	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H](C)n2cccn2)CC1	ZINC001131593129	940764295	/nfs/dbraw/zinc/76/42/95/940764295.db2.gz	NKKSRSFYTJNFIK-POAQFYNOSA-N	1	0	358.486	1.843	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn(CC)c2C)CC1	ZINC001131582970	940769063	/nfs/dbraw/zinc/76/90/63/940769063.db2.gz	JHLGACPNPGPUOC-MOPGFXCFSA-N	1	0	358.486	1.834	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn(CCC)nn2)CC1	ZINC001131584725	940770415	/nfs/dbraw/zinc/77/04/15/940770415.db2.gz	DHUKKHCATVKSDE-AEFFLSMTSA-N	1	0	359.474	1.311	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCCOC)CC2)cn1	ZINC001131597277	940781142	/nfs/dbraw/zinc/78/11/42/940781142.db2.gz	UKQDVRBBQVCGCA-UXHICEINSA-N	1	0	371.481	1.699	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]C[C@H](C)OC)CC2)cn1	ZINC001131597313	940781185	/nfs/dbraw/zinc/78/11/85/940781185.db2.gz	WEDGKCCXNUCMBG-BEVDRBHNSA-N	1	0	371.481	1.697	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(C(=O)NC)CCC2)CC1	ZINC001131597269	940781190	/nfs/dbraw/zinc/78/11/90/940781190.db2.gz	UFLIMXFNNMGJHW-SJORKVTESA-N	1	0	363.502	1.465	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ncccc2OC)CC1	ZINC001131599826	940783594	/nfs/dbraw/zinc/78/35/94/940783594.db2.gz	NJPZIGKUWQAYCB-APWZRJJASA-N	1	0	357.454	1.713	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCC(=O)N2C)CC1	ZINC001131602308	940785632	/nfs/dbraw/zinc/78/56/32/940785632.db2.gz	RWIQBTQRXZJBCR-LMMKCTJWSA-N	1	0	361.486	1.006	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](CC(C)C)C(N)=O)CC1	ZINC001131612246	940791894	/nfs/dbraw/zinc/79/18/94/940791894.db2.gz	DRPKTXHJEGTPBO-KURKYZTESA-N	1	0	365.518	1.696	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COC[C@@H]2CCCO2)CC1	ZINC001131614836	940793753	/nfs/dbraw/zinc/79/37/53/940793753.db2.gz	BIPSAHVOTOJYIN-NSHGMRRFSA-N	1	0	366.502	1.744	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn(C)c2C2CC2)CC1	ZINC001131621443	940796608	/nfs/dbraw/zinc/79/66/08/940796608.db2.gz	WRHGBUSCYKKHLR-QUCCMNQESA-N	1	0	370.497	1.920	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1C#N	ZINC000809504740	940846670	/nfs/dbraw/zinc/84/66/70/940846670.db2.gz	SMCUWSCBELYRLT-INIZCTEOSA-N	1	0	370.453	1.127	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@H](c3ccccc3)OC2=O)c1C#N	ZINC000809579369	940859185	/nfs/dbraw/zinc/85/91/85/940859185.db2.gz	BOXXWCZRBMVKOH-CZUORRHYSA-N	1	0	367.409	1.676	20	30		FDEDRO
COc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)ccn1	ZINC001086675910	940923683	/nfs/dbraw/zinc/92/36/83/940923683.db2.gz	CQBWNWKGYPUSFA-DZGCQCFKSA-N	1	0	353.426	1.978	20	30		FDEDRO
N#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3CCF)C2)[nH]1	ZINC001086676118	940924454	/nfs/dbraw/zinc/92/44/54/940924454.db2.gz	WMBMAGHHRZXLRS-QWHCGFSZSA-N	1	0	359.409	1.136	20	30		FDEDRO
CCn1nnc(C)c1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1	ZINC001086676073	940924570	/nfs/dbraw/zinc/92/45/70/940924570.db2.gz	SMIPQKQNOPTJLJ-UONOGXRCSA-N	1	0	355.446	1.495	20	30		FDEDRO
CC(C)[C@@H](CNS(=O)(=O)c1cncc(C#N)c1)[NH+]1CCC(C)CC1	ZINC000810041194	940939735	/nfs/dbraw/zinc/93/97/35/940939735.db2.gz	OMXOIEOBHQWSQN-QGZVFWFLSA-N	1	0	350.488	1.988	20	30		FDEDRO
COc1cnc(N(CC(C)(C)[NH3+])S(=O)(=O)c2ccccc2)c(C#N)c1	ZINC001170595910	940949129	/nfs/dbraw/zinc/94/91/29/940949129.db2.gz	PLLOBPKJKRURRC-UHFFFAOYSA-N	1	0	360.439	1.894	20	30		FDEDRO
CC(C)N1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1=O	ZINC001086677375	940954770	/nfs/dbraw/zinc/95/47/70/940954770.db2.gz	SIHYEJQODVKPAM-YSVLISHTSA-N	1	0	357.458	1.384	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ncccc3O)C2)C1=O	ZINC001086678684	940976230	/nfs/dbraw/zinc/97/62/30/940976230.db2.gz	FYRGAMPMQOCQMF-RRFJBIMHSA-N	1	0	358.442	1.062	20	30		FDEDRO
Cn1ncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)c1N	ZINC001086679138	941016839	/nfs/dbraw/zinc/01/68/39/941016839.db2.gz	CFLWSPSBJQGOOZ-DZGCQCFKSA-N	1	0	370.432	1.701	20	30		FDEDRO
CC(=O)N1CC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)C1	ZINC001086682296	941046288	/nfs/dbraw/zinc/04/62/88/941046288.db2.gz	IRTUUWWCOCNQDQ-DZGCQCFKSA-N	1	0	360.483	1.473	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3c(c2)ncn3C)C1	ZINC001195215195	970771342	/nfs/dbraw/zinc/77/13/42/970771342.db2.gz	PNPNRSKFELKZOJ-IAGOWNOFSA-N	1	0	359.474	1.714	20	30		FDEDRO
N#Cc1cccc(OCC(=O)O[C@H]2CCCN(c3cc[nH+]c(N)n3)C2)c1	ZINC000810761337	941052928	/nfs/dbraw/zinc/05/29/28/941052928.db2.gz	MDZWOOHWXRACQA-HNNXBMFYSA-N	1	0	353.382	1.521	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)O[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1	ZINC000810845716	941067493	/nfs/dbraw/zinc/06/74/93/941067493.db2.gz	DCJUTIIUXDVQMD-HOTGVXAUSA-N	1	0	364.467	1.935	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cncc(OC)n2)C1	ZINC001086698914	941169576	/nfs/dbraw/zinc/16/95/76/941169576.db2.gz	IEIAUSXCNWCWBD-IDCNUPLLSA-N	1	0	374.485	1.841	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](CCO)C[C@H]2CCCOC2)CC1	ZINC001098482617	941180889	/nfs/dbraw/zinc/18/08/89/941180889.db2.gz	QRHUUQQFYWMJAV-QRQLOZEOSA-N	1	0	366.502	1.289	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2coc(S(C)(=O)=O)c2)C1	ZINC001086701431	941183563	/nfs/dbraw/zinc/18/35/63/941183563.db2.gz	VLEGXWXDGFDVFF-WCQYABFASA-N	1	0	360.863	1.924	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N(CCC)CC[NH+]1CCCCCC1	ZINC000812193514	941186454	/nfs/dbraw/zinc/18/64/54/941186454.db2.gz	LRZCGEFVBMDRFM-UHFFFAOYSA-N	1	0	359.536	1.885	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)CC1	ZINC000747823885	941280018	/nfs/dbraw/zinc/28/00/18/941280018.db2.gz	XEQZLXKDQITRJU-CVEARBPZSA-N	1	0	353.466	1.814	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=NOCC(=O)Nc2cccc(C#N)c2)cc1	ZINC000747839076	941335216	/nfs/dbraw/zinc/33/52/16/941335216.db2.gz	XJPLQVXNLGNOFJ-UHFFFAOYSA-N	1	0	351.410	1.895	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1=O	ZINC001133629214	941340155	/nfs/dbraw/zinc/34/01/55/941340155.db2.gz	UBNOEKSSNNADAW-IOASZLSFSA-N	1	0	363.408	1.561	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1c2ccccc2CC[C@H]1C	ZINC001134053320	941529674	/nfs/dbraw/zinc/52/96/74/941529674.db2.gz	SDIAWHLHLNVQNK-SUMDDJOVSA-N	1	0	371.481	1.651	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1c(C)cccc1Cl	ZINC001134053393	941529923	/nfs/dbraw/zinc/52/99/23/941529923.db2.gz	VMWXCOWWCBYHER-HIFRSBDPSA-N	1	0	365.861	1.884	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1	ZINC001086718085	941582108	/nfs/dbraw/zinc/58/21/08/941582108.db2.gz	GLWQEOYGZCTKRR-JKSUJKDBSA-N	1	0	359.474	1.187	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@H]1CC[C@@H]([NH2+][C@@H]2CCN(CC)C2=O)C1	ZINC001086718433	941583471	/nfs/dbraw/zinc/58/34/71/941583471.db2.gz	YLYUAFUEAMENCC-GVDBMIGSSA-N	1	0	358.486	1.783	20	30		FDEDRO
Cc1ccc(C)c(S(=O)(=O)NN=C2CC[NH+](CC(C)(C)O)CC2)c1	ZINC000814212954	941589157	/nfs/dbraw/zinc/58/91/57/941589157.db2.gz	RBCCUPPPKCBVGA-UHFFFAOYSA-N	1	0	353.488	1.804	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nccn2CC)C1	ZINC001086720584	941625170	/nfs/dbraw/zinc/62/51/70/941625170.db2.gz	DHDBGQQPGYPVJK-KSZLIROESA-N	1	0	357.502	1.375	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1	ZINC001086721891	941650451	/nfs/dbraw/zinc/65/04/51/941650451.db2.gz	YYTLZFMKYMXHTP-ZJOBFFGXSA-N	1	0	363.483	1.798	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCC2(C1)CC[NH+](CC(=O)NCCC#N)CC2	ZINC000814644169	941699079	/nfs/dbraw/zinc/69/90/79/941699079.db2.gz	CYBAFVNEAAZLQH-UHFFFAOYSA-N	1	0	350.463	1.739	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)N(CC)Cc2ccccc2)CC1	ZINC000747968421	941702554	/nfs/dbraw/zinc/70/25/54/941702554.db2.gz	HMEQOOHTRKOJRX-QGZVFWFLSA-N	1	0	355.482	1.885	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1	ZINC000747981133	941727547	/nfs/dbraw/zinc/72/75/47/941727547.db2.gz	IVPKTVGXLKEZOV-IRXDYDNUSA-N	1	0	362.518	1.525	20	30		FDEDRO
C#CCNC(=O)CC[N@H+]1CCCN(Cc2csc([C@H](C)OC)n2)CC1	ZINC000815060554	941770311	/nfs/dbraw/zinc/77/03/11/941770311.db2.gz	VRDIJWMDYFSVSK-HNNXBMFYSA-N	1	0	364.515	1.498	20	30		FDEDRO
C#CCNC(=O)CC[NH+]1CCN(Cc2ccc(Br)cc2)CC1	ZINC000815061652	941770472	/nfs/dbraw/zinc/77/04/72/941770472.db2.gz	CJYQVAHTYSWSNO-UHFFFAOYSA-N	1	0	364.287	1.706	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N(CCC)CCC	ZINC001135058577	941874066	/nfs/dbraw/zinc/87/40/66/941874066.db2.gz	WYEQKCFKPVRYKG-WMZOPIPTSA-N	1	0	353.507	1.712	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCc1cccs1	ZINC001135142103	941927302	/nfs/dbraw/zinc/92/73/02/941927302.db2.gz	GLJCKLDTIMAOQU-HOCLYGCPSA-N	1	0	351.472	1.051	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)COc1ccccc1F	ZINC001135145763	941929708	/nfs/dbraw/zinc/92/97/08/941929708.db2.gz	SMZBDGPNPNCKOL-VKJFTORMSA-N	1	0	366.433	1.252	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N[C@H](C)CCCCC	ZINC001135145882	941929745	/nfs/dbraw/zinc/92/97/45/941929745.db2.gz	WYDYVUTWPBSFIR-RYRKJORJSA-N	1	0	353.507	1.758	20	30		FDEDRO
C#CCN(C)CCC[NH2+][C@@H](C1CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000815652577	941933109	/nfs/dbraw/zinc/93/31/09/941933109.db2.gz	IWFVXPXBOBLQNR-ROUUACIJSA-N	1	0	365.518	1.946	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)Nc1cccc(F)c1	ZINC001135147497	941942169	/nfs/dbraw/zinc/94/21/69/941942169.db2.gz	JOQMMUQPAZPCFK-JQFCIGGWSA-N	1	0	363.433	1.840	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N(C(C)C)C1CCCC1	ZINC001135147193	941942267	/nfs/dbraw/zinc/94/22/67/941942267.db2.gz	DHCKCSIFAMTPKN-HKUYNNGSSA-N	1	0	365.518	1.853	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(F)ccc1N1CCCCC1	ZINC000815860347	941996293	/nfs/dbraw/zinc/99/62/93/941996293.db2.gz	HWVLWKOSNBMNJO-UHFFFAOYSA-N	1	0	374.460	1.826	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(C)n(-c2ccccc2)n1	ZINC000815861298	941996845	/nfs/dbraw/zinc/99/68/45/941996845.db2.gz	AOAGHAUXTSQNPJ-UHFFFAOYSA-N	1	0	353.426	1.191	20	30		FDEDRO
C=CCOc1ccccc1C(=O)NC[C@H]1CC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1	ZINC001086735969	942105562	/nfs/dbraw/zinc/10/55/62/942105562.db2.gz	VTTDNYAAGYVAFO-JZXOWHBKSA-N	1	0	371.481	1.970	20	30		FDEDRO
C[C@@H](CC#N)[N@H+](C)C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1	ZINC000816503492	942233768	/nfs/dbraw/zinc/23/37/68/942233768.db2.gz	AABZFXSCWFPXHS-LSDHHAIUSA-N	1	0	352.479	1.984	20	30		FDEDRO
C=CCN(CC(=O)OCC)C(=O)C1CC[NH+](C2CCN(CC)CC2)CC1	ZINC000816954662	942401170	/nfs/dbraw/zinc/40/11/70/942401170.db2.gz	HLZMQSOXACFROX-UHFFFAOYSA-N	1	0	365.518	1.760	20	30		FDEDRO
Cn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)ncc1=O	ZINC001086762993	942408118	/nfs/dbraw/zinc/40/81/18/942408118.db2.gz	LVOQYCZHEDHJIS-DLBZAZTESA-N	1	0	365.437	1.340	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ncc(C)cc3C)C2)C1=O	ZINC001086764011	942409930	/nfs/dbraw/zinc/40/99/30/942409930.db2.gz	PWRPEJJCBCETAI-RCCFBDPRSA-N	1	0	370.497	1.973	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@H]3CCc4ncnn43)C2)cc1	ZINC001086773694	942461460	/nfs/dbraw/zinc/46/14/60/942461460.db2.gz	BASFDSFNIZWIPY-QXAKKESOSA-N	1	0	363.465	1.935	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NCCC	ZINC001170853862	942521851	/nfs/dbraw/zinc/52/18/51/942521851.db2.gz	VJIOVFXMLAZCAA-BBWFWOEESA-N	1	0	353.507	1.758	20	30		FDEDRO
CNC(=O)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1	ZINC001110469850	970927743	/nfs/dbraw/zinc/92/77/43/970927743.db2.gz	VAONWZFFTCKAND-KURKYZTESA-N	1	0	354.454	1.696	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001086804074	942767932	/nfs/dbraw/zinc/76/79/32/942767932.db2.gz	PNSNMRPLYDYXOX-KLIQENQMSA-N	1	0	368.481	1.657	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccnc(OC)n2)C1	ZINC001086806509	942805727	/nfs/dbraw/zinc/80/57/27/942805727.db2.gz	XWJICKJFNXZPCH-ABFRBSLYSA-N	1	0	360.458	1.451	20	30		FDEDRO
CC[NH+]1CCC(N2CCCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)CC1	ZINC000817656116	942864224	/nfs/dbraw/zinc/86/42/24/942864224.db2.gz	AODMPDGQWFEZAF-FQEVSTJZSA-N	1	0	370.497	1.610	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc([C@@H]3CC(=O)NC(=O)N3)cc2)CC1	ZINC000856149801	970946270	/nfs/dbraw/zinc/94/62/70/970946270.db2.gz	DOTDQYBPKKBTAF-INIZCTEOSA-N	1	0	354.410	1.241	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1	ZINC000817808972	942962674	/nfs/dbraw/zinc/96/26/74/942962674.db2.gz	VBKUILZTRJJJPH-IXDOHACOSA-N	1	0	355.482	1.767	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1C#N	ZINC000817838790	943000213	/nfs/dbraw/zinc/00/02/13/943000213.db2.gz	CMLXHHNZYQMFLO-MRXNPFEDSA-N	1	0	358.442	1.124	20	30		FDEDRO
C=CCCN(OCc1ccccc1)C(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1	ZINC000817986492	943119638	/nfs/dbraw/zinc/11/96/38/943119638.db2.gz	QNLRTDREAUZRJD-RDJZCZTQSA-N	1	0	361.442	1.098	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)CCc2ccccc2)C[C@H]1O	ZINC001195467124	970970095	/nfs/dbraw/zinc/97/00/95/970970095.db2.gz	JJTJNKDBZFKCHH-VAMGGRTRSA-N	1	0	358.482	1.335	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCC3)C2)cc1	ZINC001086821228	943248222	/nfs/dbraw/zinc/24/82/22/943248222.db2.gz	XPGNFAMAJSNQEW-FUHWJXTLSA-N	1	0	369.465	1.419	20	30		FDEDRO
CC[NH2+]CC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1	ZINC000818501125	943257217	/nfs/dbraw/zinc/25/72/17/943257217.db2.gz	VGFDBPFMIQJQPX-CAPFRKAQSA-N	1	0	366.487	1.828	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)/C=C\c1ccc(I)o1	ZINC000818589335	943297870	/nfs/dbraw/zinc/29/78/70/943297870.db2.gz	XABUWBUIFKMQHK-VURMDHGXSA-N	1	0	372.206	1.969	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccc(Cl)c1	ZINC000818611843	943301929	/nfs/dbraw/zinc/30/19/29/943301929.db2.gz	FLUHIWSKJZNFOZ-AEFFLSMTSA-N	1	0	361.873	1.931	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)/C(=C/c1ccc(F)cc1)n1nnnc1C	ZINC000818606429	943329643	/nfs/dbraw/zinc/32/96/43/943329643.db2.gz	SRQNGKIMXSPQFC-LGMDPLHJSA-N	1	0	356.405	1.190	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1	ZINC000818606368	943330201	/nfs/dbraw/zinc/33/02/01/943330201.db2.gz	PGIBUYVQGZYRKU-UHFFFAOYSA-N	1	0	360.458	1.791	20	30		FDEDRO
C=C[C@@H]1C[C@]1(Nc1ccc([C@@H]2CC3(C[NH2+]C3)C(=O)N2)cc1)C(=O)OCC	ZINC001170917694	943362744	/nfs/dbraw/zinc/36/27/44/943362744.db2.gz	LLUAMWZJHQFZBR-PTSWNOGYSA-N	1	0	355.438	1.757	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H](C)c3ncccn3)C2)nn1	ZINC001086823684	943368674	/nfs/dbraw/zinc/36/86/74/943368674.db2.gz	QNHFYKBERAKQQO-SOUVJXGZSA-N	1	0	355.446	1.503	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]CCc1ccc(S(=O)(=O)N(CC)CC)s1	ZINC000819017871	943403709	/nfs/dbraw/zinc/40/37/09/943403709.db2.gz	MMMVASGFLKPMRF-UHFFFAOYSA-N	1	0	371.528	1.050	20	30		FDEDRO
C[C@H](C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)CC1(C)OCCO1	ZINC000819096830	943418518	/nfs/dbraw/zinc/41/85/18/943418518.db2.gz	VGSXSOXVSOKPRS-AWEZNQCLSA-N	1	0	352.456	1.711	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ncnn2C)C1	ZINC001086824837	943419599	/nfs/dbraw/zinc/41/95/99/943419599.db2.gz	BRVGECBLCYVUBF-DFGXFYAUSA-N	1	0	361.490	1.561	20	30		FDEDRO
CCOC(=O)N1CC[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000819239288	943478270	/nfs/dbraw/zinc/47/82/70/943478270.db2.gz	QVHIFFNISOKERQ-CQSZACIVSA-N	1	0	351.428	1.152	20	30		FDEDRO
CC(C)(O)c1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1	ZINC000819241706	943478769	/nfs/dbraw/zinc/47/87/69/943478769.db2.gz	UJPUBRGXTTWBBM-UHFFFAOYSA-N	1	0	359.451	1.744	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([NH2+]C[C@H](O)c3ccc(F)cn3)C2=O)cc1	ZINC000819219125	943492361	/nfs/dbraw/zinc/49/23/61/943492361.db2.gz	YARMXYYUJYPOIL-MSOLQXFVSA-N	1	0	354.385	1.911	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)cc1	ZINC000819235181	943500925	/nfs/dbraw/zinc/50/09/25/943500925.db2.gz	NKBWCTJRXRSOAE-IBGZPJMESA-N	1	0	371.462	1.921	20	30		FDEDRO
C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)c1ccc(N2CCCNC2=O)cc1	ZINC000819325858	943527666	/nfs/dbraw/zinc/52/76/66/943527666.db2.gz	KJOCBLDMJJIYGM-YJBOKZPZSA-N	1	0	359.474	1.463	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H](O)CN(C)CCC#N)c1ccc(N2CCCOC2=O)cc1	ZINC000819330329	943529483	/nfs/dbraw/zinc/52/94/83/943529483.db2.gz	OBDPTFUCNOZFBN-CRAIPNDOSA-N	1	0	360.458	1.890	20	30		FDEDRO
C#CCN(C)CCC[NH2+]CCS(=O)(=O)c1cccc(Br)c1	ZINC000819335043	943530984	/nfs/dbraw/zinc/53/09/84/943530984.db2.gz	PCUJFMRGUCTGEJ-UHFFFAOYSA-N	1	0	373.316	1.768	20	30		FDEDRO
CCOC(=O)c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(C#N)cn2)c1	ZINC000819311992	943543288	/nfs/dbraw/zinc/54/32/88/943543288.db2.gz	NTXWJCFLTXATEO-KRWDZBQOSA-N	1	0	355.394	1.659	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)C2CC2)C1	ZINC001195518259	971015674	/nfs/dbraw/zinc/01/56/74/971015674.db2.gz	PHCDPVMZJYBFPP-HZPDHXFCSA-N	1	0	351.491	1.009	20	30		FDEDRO
O=S(=O)(c1ccc(N=NC2CC[NH+](CCO)CC2)cc1)C(F)(F)F	ZINC000819806509	943747959	/nfs/dbraw/zinc/74/79/59/943747959.db2.gz	UHDKVOVSWIDPIV-UHFFFAOYSA-N	1	0	365.377	1.836	20	30		FDEDRO
COc1cc(C#N)ccc1C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1	ZINC000820702600	944164993	/nfs/dbraw/zinc/16/49/93/944164993.db2.gz	XVUUCYOFZCDRPC-GOSISDBHSA-N	1	0	365.433	1.716	20	30		FDEDRO
CON=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1csc(N)n1	ZINC000821124627	944346348	/nfs/dbraw/zinc/34/63/48/944346348.db2.gz	BCRWTSNVNGEENE-BXUZGUMPSA-N	1	0	363.487	1.551	20	30		FDEDRO
C#CC[C@H](CO)[NH2+]Cc1ccc(OCC(=O)N2CCCCC2)c(OCC)c1	ZINC000821206744	944386295	/nfs/dbraw/zinc/38/62/95/944386295.db2.gz	HMGGFLKPWOXROF-GOSISDBHSA-N	1	0	374.481	1.950	20	30		FDEDRO
C[NH+](C)CCSc1nc(CC(=O)Nc2cnn(CC#N)c2)cs1	ZINC001136436270	944445773	/nfs/dbraw/zinc/44/57/73/944445773.db2.gz	PMKQCHATAVSQTB-UHFFFAOYSA-N	1	0	350.473	1.698	20	30		FDEDRO
C#CCN1C(=O)C[C@H]([NH+]2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)C1=O	ZINC000821771895	944658131	/nfs/dbraw/zinc/65/81/31/944658131.db2.gz	SFRWWHLOQQDBAC-ZFWWWQNUSA-N	1	0	363.458	1.372	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)C1	ZINC001195640701	971104831	/nfs/dbraw/zinc/10/48/31/971104831.db2.gz	LEPPFAINCAONOI-BHIYHBOVSA-N	1	0	362.518	1.886	20	30		FDEDRO
CON=C(C(=O)N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1)c1csc(N)n1	ZINC000821895376	944733305	/nfs/dbraw/zinc/73/33/05/944733305.db2.gz	UVWQTFDMJHCKDD-NWDGAFQWSA-N	1	0	369.516	1.114	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)C1	ZINC000821919241	944759155	/nfs/dbraw/zinc/75/91/55/944759155.db2.gz	AIKWGUCZBMIDHI-IMJJTQAJSA-N	1	0	362.474	1.879	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)c3cc(C#N)ccc3F)ccn2)CC1	ZINC000822323022	944938239	/nfs/dbraw/zinc/93/82/39/944938239.db2.gz	WUGAEBFNQIKUFL-UHFFFAOYSA-N	1	0	353.401	1.774	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)CC1	ZINC000856418450	971140617	/nfs/dbraw/zinc/14/06/17/971140617.db2.gz	DZMSKFZJPIZTSJ-OCCSQVGLSA-N	1	0	359.392	1.247	20	30		FDEDRO
C#CCN(CC(=O)OC(C)(C)C)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000823131292	945512832	/nfs/dbraw/zinc/51/28/32/945512832.db2.gz	QINVQIMOYRTPCV-MRXNPFEDSA-N	1	0	365.474	1.226	20	30		FDEDRO
CCCCCC[N@H+](C)CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C	ZINC001090751228	946252098	/nfs/dbraw/zinc/25/20/98/946252098.db2.gz	SGDWNXDDFHWRKM-HZPDHXFCSA-N	1	0	358.490	1.801	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1	ZINC001090754127	946269720	/nfs/dbraw/zinc/26/97/20/946269720.db2.gz	KCZCVYWTILEWMI-RHSMWYFYSA-N	1	0	357.458	1.005	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1	ZINC000856597171	971245770	/nfs/dbraw/zinc/24/57/70/971245770.db2.gz	FMSFUJRYGVMOPE-APWZRJJASA-N	1	0	358.486	1.513	20	30		FDEDRO
C[N@H+](CCN1CCOCC1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N	ZINC000114464017	971252005	/nfs/dbraw/zinc/25/20/05/971252005.db2.gz	OQUHTUBUDZJIQJ-MRXNPFEDSA-N	1	0	365.437	1.488	20	30		FDEDRO
C#CCCCCCC(=O)NC[C@@H](C)N(C)c1cc[nH+]cc1-c1nn[nH]n1	ZINC001573282788	946698152	/nfs/dbraw/zinc/69/81/52/946698152.db2.gz	OBOVZVCZQNCAAT-CQSZACIVSA-N	1	0	355.446	1.786	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573282910	946701672	/nfs/dbraw/zinc/70/16/72/946701672.db2.gz	NOJUUYSLKLLIBA-VHDGCEQUSA-N	1	0	353.430	1.047	20	30		FDEDRO
C#CCCCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573284764	946757513	/nfs/dbraw/zinc/75/75/13/946757513.db2.gz	LETWHAICJNNDFG-KRWDZBQOSA-N	1	0	352.442	1.703	20	30		FDEDRO
C#CCCCC(=O)N(C)CC(C)(C)CNc1cc[nH+]cc1-c1nn[nH]n1	ZINC001573285198	946771884	/nfs/dbraw/zinc/77/18/84/946771884.db2.gz	UJSJNSZENYROMA-UHFFFAOYSA-N	1	0	355.446	1.384	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573285397	946778337	/nfs/dbraw/zinc/77/83/37/946778337.db2.gz	XANAODWPHGOCKW-RDJZCZTQSA-N	1	0	366.469	1.997	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H](C)CC[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573285784	946788203	/nfs/dbraw/zinc/78/82/03/946788203.db2.gz	NIZOHVXVRGDYEJ-STQMWFEESA-N	1	0	374.420	1.029	20	30		FDEDRO
C#Cc1ccc(C(=O)NCC[C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)cc1	ZINC001573286959	946823686	/nfs/dbraw/zinc/82/36/86/946823686.db2.gz	DBBVZXFVNJEBGS-ZDUSSCGKSA-N	1	0	361.409	1.285	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)C3CCCCC3)C[C@H]2O)CCC1	ZINC001195897170	971287459	/nfs/dbraw/zinc/28/74/59/971287459.db2.gz	RUFGVSIKPNBKCI-KZNAEPCWSA-N	1	0	350.503	1.835	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCc3ccccc31)C2	ZINC001110108844	946927755	/nfs/dbraw/zinc/92/77/55/946927755.db2.gz	MJXXYNGAQCZSMZ-HBFSDRIKSA-N	1	0	353.466	1.420	20	30		FDEDRO
C[C@@H]1CN(c2snc(Cl)c2C#N)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1	ZINC001090811828	946941277	/nfs/dbraw/zinc/94/12/77/946941277.db2.gz	UYOQPJWPSPDRCJ-ZYHUDNBSSA-N	1	0	367.906	1.951	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(CCOC[C@H]3CCCO3)C[C@H]2O)CC1	ZINC001195876888	971301384	/nfs/dbraw/zinc/30/13/84/971301384.db2.gz	TWKLLYZKNZRJLI-KZNAEPCWSA-N	1	0	352.475	1.090	20	30		FDEDRO
CC(C)[C@H](CCN(C)C(=O)[C@H](C)C#N)[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001573561264	946962197	/nfs/dbraw/zinc/96/21/97/946962197.db2.gz	JIYPXTOXYWSAJK-PBHICJAKSA-N	1	0	369.473	1.989	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1	ZINC001573293637	946963527	/nfs/dbraw/zinc/96/35/27/946963527.db2.gz	DZVLPGRRMGXYSK-KBPBESRZSA-N	1	0	357.462	1.991	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)C1CC([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573562479	946974319	/nfs/dbraw/zinc/97/43/19/946974319.db2.gz	UKAQPBODPMOTGP-FNBIGBAISA-N	1	0	357.393	1.244	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2C1	ZINC001573294029	946975888	/nfs/dbraw/zinc/97/58/88/946975888.db2.gz	RQERZIPGWUWLHF-CFVMTHIKSA-N	1	0	355.446	1.601	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)CCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F	ZINC001573562703	946978842	/nfs/dbraw/zinc/97/88/42/946978842.db2.gz	WMHZCYIXDLLRRL-GFCCVEGCSA-N	1	0	359.409	1.446	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)CCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F	ZINC001573562704	946978939	/nfs/dbraw/zinc/97/89/39/946978939.db2.gz	WMHZCYIXDLLRRL-LBPRGKRZSA-N	1	0	359.409	1.446	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1	ZINC001573563872	946987973	/nfs/dbraw/zinc/98/79/73/946987973.db2.gz	CUESFGGCVOFPQZ-RYUDHWBXSA-N	1	0	373.486	1.805	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC(C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1	ZINC001573564018	946988483	/nfs/dbraw/zinc/98/84/83/946988483.db2.gz	DLWMDOGIVQANLZ-LBPRGKRZSA-N	1	0	371.420	1.494	20	30		FDEDRO
C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1	ZINC001573294634	946995791	/nfs/dbraw/zinc/99/57/91/946995791.db2.gz	DZOSXCQDDXUVQX-ZDUSSCGKSA-N	1	0	361.837	1.532	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573296920	947056750	/nfs/dbraw/zinc/05/67/50/947056750.db2.gz	BDURRJMYQWZMDQ-CYBMUJFWSA-N	1	0	363.853	1.922	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001573297100	947059755	/nfs/dbraw/zinc/05/97/55/947059755.db2.gz	DFYZXMBFYUVDDP-RYUDHWBXSA-N	1	0	363.853	1.826	20	30		FDEDRO
C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)cc1	ZINC001573297482	947063307	/nfs/dbraw/zinc/06/33/07/947063307.db2.gz	JKHWALYZXDMCNA-UHFFFAOYSA-N	1	0	371.832	1.967	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@](C)(C[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1	ZINC001573569528	947070970	/nfs/dbraw/zinc/07/09/70/947070970.db2.gz	AQASKDATWRGQKT-KPZWWZAWSA-N	1	0	353.430	1.401	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)ccc1F	ZINC000825197230	947076496	/nfs/dbraw/zinc/07/64/96/947076496.db2.gz	VJGOIUVDJRLUOS-AAEUAGOBSA-N	1	0	355.435	1.147	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@](C)(C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CC1	ZINC001573569805	947077926	/nfs/dbraw/zinc/07/79/26/947077926.db2.gz	FQCKJNXEUYHCNP-BBATYDOGSA-N	1	0	371.420	1.540	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573570035	947082015	/nfs/dbraw/zinc/08/20/15/947082015.db2.gz	IQOLFFTTZCFRIX-MNOVXSKESA-N	1	0	357.393	1.102	20	30		FDEDRO
C[C@H](C#N)C(=O)NC1(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCCC1	ZINC001573571784	947105117	/nfs/dbraw/zinc/10/51/17/947105117.db2.gz	AWUXGEOVZXJGPQ-GFCCVEGCSA-N	1	0	371.420	1.684	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CCCC1	ZINC001573573038	947119728	/nfs/dbraw/zinc/11/97/28/947119728.db2.gz	LKVXVTUPWUPTDS-GUYCJALGSA-N	1	0	367.457	1.791	20	30		FDEDRO
C[C@H](C#N)C(=O)NC1CC(C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573574736	947131899	/nfs/dbraw/zinc/13/18/99/947131899.db2.gz	UDYLUSIRYHFZET-QFWMXSHPSA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CC1	ZINC001573575329	947136555	/nfs/dbraw/zinc/13/65/55/947136555.db2.gz	XBZMPVUSUBFVLP-BMIGLBTASA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1	ZINC001573575145	947137524	/nfs/dbraw/zinc/13/75/24/947137524.db2.gz	WJXOXVOAQVAHHO-BBRMVZONSA-N	1	0	353.430	1.497	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1	ZINC001573576634	947154222	/nfs/dbraw/zinc/15/42/22/947154222.db2.gz	IMIXLZFPGHCSFW-NEPJUHHUSA-N	1	0	359.459	1.559	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C1CC1	ZINC001573578011	947178240	/nfs/dbraw/zinc/17/82/40/947178240.db2.gz	XEIGYTKXCXKQKK-ZUZCIYMTSA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC[N@H+](Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1	ZINC001573582529	947191736	/nfs/dbraw/zinc/19/17/36/947191736.db2.gz	FBOQPNQWPGSUTL-LLVKDONJSA-N	1	0	357.393	1.246	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573309543	947202781	/nfs/dbraw/zinc/20/27/81/947202781.db2.gz	KKEILZFDDKIHEM-KBXCAEBGSA-N	1	0	374.420	1.023	20	30		FDEDRO
C#CCN1C(=O)C[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)C1=O	ZINC000856718839	971345550	/nfs/dbraw/zinc/34/55/50/971345550.db2.gz	PAVDCNDQYDOILK-NJSLBKSFSA-N	1	0	361.442	1.126	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1	ZINC001573584921	947238620	/nfs/dbraw/zinc/23/86/20/947238620.db2.gz	ATRQYXUZUXSPEW-KCPJHIHWSA-N	1	0	371.420	1.682	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C(C)C	ZINC001573315224	947246237	/nfs/dbraw/zinc/24/62/37/947246237.db2.gz	KDZGJURITQKGOF-BBRMVZONSA-N	1	0	357.462	1.839	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1	ZINC001573315777	947261294	/nfs/dbraw/zinc/26/12/94/947261294.db2.gz	PJUIZTKCHYCRGA-LRDDRELGSA-N	1	0	355.446	1.593	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2[NH2+]Cc2ccnn2C)cc1	ZINC001090866712	947409362	/nfs/dbraw/zinc/40/93/62/947409362.db2.gz	LVQXSWMBRCXSLM-ZOCIIQOWSA-N	1	0	367.453	1.673	20	30		FDEDRO
C=CCCC(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1	ZINC001573330397	947432349	/nfs/dbraw/zinc/43/23/49/947432349.db2.gz	WZFUDQQTVJURCM-ZIAGYGMSSA-N	1	0	355.446	1.546	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(CC(=O)N(CC(C)C)C3CC3)C[C@H]2O)C1	ZINC001196019495	971385635	/nfs/dbraw/zinc/38/56/35/971385635.db2.gz	GMZKNKIOSFLLSM-IAGOWNOFSA-N	1	0	363.502	1.151	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCN(C)C2=O)C[C@H]1c1ccc(OC)cc1	ZINC001090875501	947493135	/nfs/dbraw/zinc/49/31/35/947493135.db2.gz	WVYCKGWCWDDUGM-NZSAHSFTSA-N	1	0	371.481	1.634	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1	ZINC001573336816	947512170	/nfs/dbraw/zinc/51/21/70/947512170.db2.gz	ROIZYUIINKPRNC-IHRRRGAJSA-N	1	0	371.445	1.032	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2NCC#N)cc1	ZINC001090874188	947522578	/nfs/dbraw/zinc/52/25/78/947522578.db2.gz	FFKCPEHLMDWPPO-ZWKOTPCHSA-N	1	0	356.470	1.587	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1c1ccc(OC)cc1	ZINC001090878127	947546886	/nfs/dbraw/zinc/54/68/86/947546886.db2.gz	IONUHZBXDVLKFF-OKZBNKHCSA-N	1	0	357.454	1.244	20	30		FDEDRO
C=CCOCC(=O)N[C@H](C)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573342796	947547583	/nfs/dbraw/zinc/54/75/83/947547583.db2.gz	DUQFTJIHFJEYGH-CYBMUJFWSA-N	1	0	356.430	1.006	20	30		FDEDRO
C#C[C@H](NC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1)c1ccccc1	ZINC000843967359	947547806	/nfs/dbraw/zinc/54/78/06/947547806.db2.gz	LSSVGIYHIIOVNY-QYZOEREBSA-N	1	0	353.466	1.810	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@H]2NCC#N)cc1	ZINC001090879596	947576698	/nfs/dbraw/zinc/57/66/98/947576698.db2.gz	PNXRJYHLFPIVGR-LWCVALJOSA-N	1	0	370.497	1.833	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1c1ccc(OC)cc1	ZINC001090878775	947616861	/nfs/dbraw/zinc/61/68/61/947616861.db2.gz	YUDQNILDMAEHSZ-GBESFXJTSA-N	1	0	371.481	1.634	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1cccc(-c2nn[nH]n2)c1	ZINC001573352059	947625724	/nfs/dbraw/zinc/62/57/24/947625724.db2.gz	ZCSYHQUUUYRWDZ-BBWFWOEESA-N	1	0	370.457	1.442	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2cncn2C)C[C@H]1c1ccc(OC)cc1	ZINC001090884590	947646052	/nfs/dbraw/zinc/64/60/52/947646052.db2.gz	WVKHUHBONZCQOJ-VQTJNVASSA-N	1	0	366.465	1.579	20	30		FDEDRO
CC#CCCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573358523	947663514	/nfs/dbraw/zinc/66/35/14/947663514.db2.gz	LKYMAGGFWDIATD-IYBDPMFKSA-N	1	0	370.432	1.936	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(CC=C)nn2)C[C@H]1c1ccc(OC)cc1	ZINC001090882194	947691759	/nfs/dbraw/zinc/69/17/59/947691759.db2.gz	ZILDSNHSRANRCV-ZWKOTPCHSA-N	1	0	365.437	1.304	20	30		FDEDRO
CO[C@@H]1CN(c2nc(C)ccc2C#N)C[C@H]1NC(=O)C1([NH+](C)C)CCC1	ZINC001090922763	947964315	/nfs/dbraw/zinc/96/43/15/947964315.db2.gz	ORSDUTKOMBOWEQ-HZPDHXFCSA-N	1	0	357.458	1.066	20	30		FDEDRO
COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N	ZINC000844403841	948033853	/nfs/dbraw/zinc/03/38/53/948033853.db2.gz	GZZOXUZWYHBGFJ-KFWWJZLASA-N	1	0	352.394	1.305	20	30		FDEDRO
N#Cc1cc(S(N)(=O)=O)ccc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1	ZINC000772905468	948097325	/nfs/dbraw/zinc/09/73/25/948097325.db2.gz	YVPNIFIHZZKUGS-SCLBCKFNSA-N	1	0	360.483	1.659	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-n3cccn3)ccn2)C1	ZINC001196097684	971455809	/nfs/dbraw/zinc/45/58/09/971455809.db2.gz	NKWQFDZSAAVAFC-ZTFGCOKTSA-N	1	0	355.442	1.397	20	30		FDEDRO
N#Cc1cncc(C[N@H+]2C[C@@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)c1	ZINC001144074879	948187763	/nfs/dbraw/zinc/18/77/63/948187763.db2.gz	HTIMZQLPNUQBPW-SFHVURJKSA-N	1	0	370.453	1.041	20	30		FDEDRO
N#Cc1cncc(C[N@H+]2CCc3nnc(COc4ccccn4)n3CC2)c1	ZINC001144075910	948189004	/nfs/dbraw/zinc/18/90/04/948189004.db2.gz	UZRATUYXQBYMIB-UHFFFAOYSA-N	1	0	361.409	1.577	20	30		FDEDRO
Cn1cc(N2CC[C@]3(CCC[N@H+](Cc4cncc(C#N)c4)C3)C2=O)cn1	ZINC001144079689	948198561	/nfs/dbraw/zinc/19/85/61/948198561.db2.gz	CEBKAGMBEZRAGP-IBGZPJMESA-N	1	0	350.426	1.706	20	30		FDEDRO
CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3cncc(C#N)c3)CC[C@@H]21	ZINC001144080595	948201531	/nfs/dbraw/zinc/20/15/31/948201531.db2.gz	RMTVHFVOSRIORV-AABGKKOBSA-N	1	0	365.485	1.918	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1Nc1ccnc(C#N)n1	ZINC001090976616	948213164	/nfs/dbraw/zinc/21/31/64/948213164.db2.gz	WRNFNFIUKCHHIH-HZPDHXFCSA-N	1	0	356.474	1.295	20	30		FDEDRO
CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3ccc(C#N)cn3)CC[C@@H]21	ZINC001144158503	948301371	/nfs/dbraw/zinc/30/13/71/948301371.db2.gz	IPMJPALKETZUOV-HOJAQTOUSA-N	1	0	365.485	1.918	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@@H]3CC(=O)NC3CCC3)C2)nc1	ZINC001144158820	948302612	/nfs/dbraw/zinc/30/26/12/948302612.db2.gz	QUUXNJPVRYBMEA-ATZDWAIDSA-N	1	0	354.454	1.849	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCC[C@@]3(CO[C@H](C(=O)N4CCOCC4)C3)C2)nc1	ZINC001144160429	948304570	/nfs/dbraw/zinc/30/45/70/948304570.db2.gz	KCSNBLWLTZEEED-ICSRJNTNSA-N	1	0	370.453	1.183	20	30		FDEDRO
C=CCc1cc(OCC)cc(CN2CCN(CC[NH+](C)C)C(=O)C2)c1O	ZINC000844714099	948322045	/nfs/dbraw/zinc/32/20/45/948322045.db2.gz	ILDXLOMTPJURDE-UHFFFAOYSA-N	1	0	361.486	1.725	20	30		FDEDRO
C=C(C(=O)N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1)C(F)(F)F	ZINC001144201288	948371554	/nfs/dbraw/zinc/37/15/54/948371554.db2.gz	ASCRQFNGYCDIMU-UHFFFAOYSA-N	1	0	357.380	1.091	20	30		FDEDRO
C=CCN1CCN(CN2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)C1=O	ZINC000844733395	948375020	/nfs/dbraw/zinc/37/50/20/948375020.db2.gz	XFALKHPRKBQZEJ-VQTJNVASSA-N	1	0	370.497	1.843	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ccn(C)c(=O)c2)C1	ZINC001091033793	948556586	/nfs/dbraw/zinc/55/65/86/948556586.db2.gz	GUTWRQGNAYCGDQ-HIEASXQVSA-N	1	0	359.470	1.351	20	30		FDEDRO
CN1N=C(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCC1=O	ZINC000845007684	948586644	/nfs/dbraw/zinc/58/66/44/948586644.db2.gz	XHUCVFZTBCUFQT-UHFFFAOYSA-N	1	0	353.426	1.247	20	30		FDEDRO
Cc1nsc(N2C[C@H]3OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]3C2)c1C#N	ZINC001091045722	948635331	/nfs/dbraw/zinc/63/53/31/948635331.db2.gz	SGTXDNHGKFQRFS-LSDHHAIUSA-N	1	0	363.487	1.079	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N1CCO[C@@H]2CN(c3ncccc3C#N)C[C@@H]21	ZINC001091048405	948646637	/nfs/dbraw/zinc/64/66/37/948646637.db2.gz	WCOOEQYHIAAVEG-DLBZAZTESA-N	1	0	357.458	1.101	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(CN3CCCC3)on2)C1	ZINC001196185507	971497697	/nfs/dbraw/zinc/49/76/97/971497697.db2.gz	WZRJBRQZCDIIKH-BMGDILEWSA-N	1	0	362.474	1.400	20	30		FDEDRO
CC(=O)N[C@@H](CS)C(=O)N(Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1	ZINC001144426728	949237197	/nfs/dbraw/zinc/23/71/97/949237197.db2.gz	DUFSWRUASPKXHE-ZOBUZTSGSA-N	1	0	367.490	1.859	20	30		FDEDRO
N#Cc1c(F)cccc1N1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1	ZINC001091115022	949402499	/nfs/dbraw/zinc/40/24/99/949402499.db2.gz	WNHOOOOJMCCXIG-AEFFLSMTSA-N	1	0	360.433	1.239	20	30		FDEDRO
C#Cc1ccc(C[N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccno4)[C@H]3C2)cc1	ZINC001144571738	949953119	/nfs/dbraw/zinc/95/31/19/949953119.db2.gz	GSSKCGNFFSDQDR-CMKODMSKSA-N	1	0	365.433	1.923	20	30		FDEDRO
C#Cc1ccc(C[NH+]2CCC3(C[C@@H](C(=O)N4CCOCC4)CO3)CC2)cc1	ZINC001144572327	949954591	/nfs/dbraw/zinc/95/45/91/949954591.db2.gz	WWJJSXOSZGJDRZ-HXUWFJFHSA-N	1	0	368.477	1.898	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1	ZINC000845891702	950106686	/nfs/dbraw/zinc/10/66/86/950106686.db2.gz	XBNSRPYZGGUGQK-ZIAGYGMSSA-N	1	0	365.455	1.496	20	30		FDEDRO
C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)/C=C/C(=O)c2ccccc2)C1	ZINC001144705728	950485122	/nfs/dbraw/zinc/48/51/22/950485122.db2.gz	XVBOJPKMUJSROW-FDMDGMSGSA-N	1	0	352.438	1.842	20	30		FDEDRO
C[C@@H](CN(C)C(=O)c1ccc(C#N)[nH]1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1	ZINC001574752698	950493601	/nfs/dbraw/zinc/49/36/01/950493601.db2.gz	FFNWQMQDHIZMTI-LBPRGKRZSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[C@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1cccc(C#N)c1	ZINC001574754538	950572645	/nfs/dbraw/zinc/57/26/45/950572645.db2.gz	MFMXOZNJCHGTFS-GFCCVEGCSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1	ZINC001576217316	950754773	/nfs/dbraw/zinc/75/47/73/950754773.db2.gz	MEHQMVUCJHIIMI-RDTXWAMCSA-N	1	0	364.453	1.607	20	30		FDEDRO
CCCN(CCC[NH+](C)C)C(=O)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1	ZINC000846272689	950833114	/nfs/dbraw/zinc/83/31/14/950833114.db2.gz	RJEJFKMMRKOMSS-GOSISDBHSA-N	1	0	374.485	1.240	20	30		FDEDRO
CC(C)C[N@H+](C)CCCNC(=O)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1	ZINC000846286948	950851348	/nfs/dbraw/zinc/85/13/48/950851348.db2.gz	PTGRXHYEEWBNCF-GOSISDBHSA-N	1	0	374.485	1.144	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@@H]3CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]32)n1	ZINC001091213514	950943694	/nfs/dbraw/zinc/94/36/94/950943694.db2.gz	KLBHOCNGMJGDAZ-RDJZCZTQSA-N	1	0	370.501	1.678	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21	ZINC000846444345	951122410	/nfs/dbraw/zinc/12/24/10/951122410.db2.gz	UQSZLKCLMZYSTL-ACRUOGEOSA-N	1	0	367.493	1.586	20	30		FDEDRO
N#Cc1cccc(C[NH2+]C2CC(CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)c1	ZINC001091236688	951182982	/nfs/dbraw/zinc/18/29/82/951182982.db2.gz	BAUYTGMDTQEFMM-UMQBVGHOSA-N	1	0	354.454	1.444	20	30		FDEDRO
N#Cc1nccc(N[C@@H]2CCCC[C@H]2NC(=O)CC[NH+]2CCCCC2)n1	ZINC001091264446	951275975	/nfs/dbraw/zinc/27/59/75/951275975.db2.gz	XFEXJNCQTRDTPK-HZPDHXFCSA-N	1	0	356.474	1.485	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2c(C)nnn2CC)C1	ZINC001091278273	951294008	/nfs/dbraw/zinc/29/40/08/951294008.db2.gz	LXMKVRBMPACCPG-OBQMCRIKSA-N	1	0	361.490	1.572	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H](O)c3ccccn3)CC2)c1	ZINC000846612109	951374783	/nfs/dbraw/zinc/37/47/83/951374783.db2.gz	NFAGBNLLWUVBKT-LJQANCHMSA-N	1	0	350.422	1.767	20	30		FDEDRO
CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1	ZINC000846659385	951425961	/nfs/dbraw/zinc/42/59/61/951425961.db2.gz	MXJHULSTTUAZIT-RTBURBONSA-N	1	0	359.470	1.843	20	30		FDEDRO
COC(=O)c1scc(C#N)c1NC(=O)[C@H]([NH3+])Cc1cccc(OC)c1	ZINC001144933047	951535866	/nfs/dbraw/zinc/53/58/66/951535866.db2.gz	JTWYITOOOCCFOX-CYBMUJFWSA-N	1	0	359.407	1.923	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[N@@H+]2CCc3c(sc(N)c3-c3nn[nH]n3)C2)cc1	ZINC001571037020	951615191	/nfs/dbraw/zinc/61/51/91/951615191.db2.gz	HBRLLOXJKZLZGL-CYBMUJFWSA-N	1	0	367.438	1.474	20	30		FDEDRO
C[NH+]1CCC(COc2cnc(NC(=N)c3ccc(C(N)=O)cc3)nc2)CC1	ZINC001171252931	951619523	/nfs/dbraw/zinc/61/95/23/951619523.db2.gz	YXIYCNMBXCTRQO-UHFFFAOYSA-N	1	0	368.441	1.333	20	30		FDEDRO
N#Cc1cccnc1C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001196555037	971771967	/nfs/dbraw/zinc/77/19/67/971771967.db2.gz	TUCUEVOUDMHDHB-MSOLQXFVSA-N	1	0	363.421	1.464	20	30		FDEDRO
C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1ccc(C#N)[nH]1	ZINC001575096185	951819387	/nfs/dbraw/zinc/81/93/87/951819387.db2.gz	ZXGVWGMRPNZWDY-GFCCVEGCSA-N	1	0	364.413	1.317	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ccoc4C)C[C@]3(C)C2)C1=O	ZINC001091467605	951841311	/nfs/dbraw/zinc/84/13/11/951841311.db2.gz	XWBKCDWLFGJOKT-MDYRTPRTSA-N	1	0	357.454	1.769	20	30		FDEDRO
C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]Cc1ccc(C#N)s1	ZINC001575101464	951859532	/nfs/dbraw/zinc/85/95/32/951859532.db2.gz	FDPYYCBYHBQIGR-JTQLQIEISA-N	1	0	370.442	1.284	20	30		FDEDRO
C[C@]12CN(C(=O)Cn3cccn3)C[C@H]1C[N@H+](Cc1ccc(C#N)c(F)c1)C2	ZINC001091482481	951866197	/nfs/dbraw/zinc/86/61/97/951866197.db2.gz	NJXKBXRNONYGAC-XLIONFOSSA-N	1	0	367.428	1.874	20	30		FDEDRO
CNC(=O)c1cccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@]3(C)C2)c1	ZINC001091544455	951983549	/nfs/dbraw/zinc/98/35/49/951983549.db2.gz	AJLUQPZOFDBVLR-ZTQAJYAQSA-N	1	0	354.454	1.486	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2C[N@H+](Cc3cnc(C(F)(F)F)nc3)C[C@@]2(C)C1	ZINC001091545749	951985509	/nfs/dbraw/zinc/98/55/09/951985509.db2.gz	UCLVZEAXPUUNOT-KFNAQCHYSA-N	1	0	367.375	1.935	20	30		FDEDRO
CC(=O)Nc1nc(CN2C[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@]3(C)C2)cs1	ZINC001091546289	951986972	/nfs/dbraw/zinc/98/69/72/951986972.db2.gz	ZPJZKUODFHCABD-NDGTYSDOSA-N	1	0	361.471	1.541	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4n[nH]c(C)c4C)C[C@]3(C)C2)C1=O	ZINC001091553459	952037905	/nfs/dbraw/zinc/03/79/05/952037905.db2.gz	NITVUJRWUCPGOG-GUXCAODWSA-N	1	0	371.485	1.207	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[C@@H](Nc2ccc(C#N)cn2)C1	ZINC001091578456	952135102	/nfs/dbraw/zinc/13/51/02/952135102.db2.gz	DSKXSZCBHSYJBE-XYJFISCASA-N	1	0	371.485	1.618	20	30		FDEDRO
N#Cc1nccc(N[C@@H]2CC[C@H](CNC(=O)CCC[NH+]3CCCC3)C2)n1	ZINC001091585238	952160679	/nfs/dbraw/zinc/16/06/79/952160679.db2.gz	XICPUFPRGLWRBQ-JKSUJKDBSA-N	1	0	356.474	1.343	20	30		FDEDRO
Cc1cc(C#N)nc(N[C@@H]2CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C2)n1	ZINC001091595221	952191317	/nfs/dbraw/zinc/19/13/17/952191317.db2.gz	DMNNFFWZCDQPEH-UXLLHSPISA-N	1	0	358.490	1.940	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@]3(C)C2)cn1	ZINC001091607410	952257432	/nfs/dbraw/zinc/25/74/32/952257432.db2.gz	YQWFYPZBCJBHSH-QRWLVFNGSA-N	1	0	365.437	1.884	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)NC[C@H]1CC[C@@H](Nc2cncc(C#N)n2)C1	ZINC001091609207	952274821	/nfs/dbraw/zinc/27/48/21/952274821.db2.gz	IUFGHSWQJHSVEI-SQWLQELKSA-N	1	0	362.453	1.725	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)NC[C@H]1CC[C@@H](Nc2ccncc2C#N)C1	ZINC001091609512	952275705	/nfs/dbraw/zinc/27/57/05/952275705.db2.gz	QLDOJCBTRRLHOU-UAGQMJEPSA-N	1	0	361.465	1.752	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@]3(C)C2)C1=O	ZINC001091613248	952306231	/nfs/dbraw/zinc/30/62/31/952306231.db2.gz	PPTHIMGFWOLQJJ-MDYRTPRTSA-N	1	0	367.453	1.067	20	30		FDEDRO
N#Cc1nccc(N[C@@H]2CC[C@H](CNC(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)n1	ZINC001091620994	952337120	/nfs/dbraw/zinc/33/71/20/952337120.db2.gz	KOCRDRGNMZQODF-ZSZQSSIHSA-N	1	0	368.485	1.341	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4c(C)ccn4C)C[C@]3(C)C2)C1=O	ZINC001091625297	952352540	/nfs/dbraw/zinc/35/25/40/952352540.db2.gz	QXTKETFOUPWUBL-LZJOCLMNSA-N	1	0	370.497	1.514	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[C@@H](Nc2ccncc2C#N)C1	ZINC001091646121	952478242	/nfs/dbraw/zinc/47/82/42/952478242.db2.gz	BUKRBWAUTSLTNF-CGTJXYLNSA-N	1	0	355.486	1.946	20	30		FDEDRO
Cc1csc(=O)n1CC[N@@H+]1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1	ZINC001091660024	952520901	/nfs/dbraw/zinc/52/09/01/952520901.db2.gz	ZUWNMMKHXSZKRM-APWZRJJASA-N	1	0	359.495	1.412	20	30		FDEDRO
C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cccc(N2CCOC2=O)c1	ZINC000772985619	952535422	/nfs/dbraw/zinc/53/54/22/952535422.db2.gz	TVGKDXQFKPHIGA-FKEVTRRJSA-N	1	0	370.409	1.820	20	30		FDEDRO
Cn1ccc(CC(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@@]3(C)C2)n1	ZINC001091664623	952541317	/nfs/dbraw/zinc/54/13/17/952541317.db2.gz	WIOSLSJJXLGUPL-KUHUBIRLSA-N	1	0	369.494	1.876	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cn([C@H](C)COC)nc3C)C[C@]2(C)C1	ZINC001091672696	952596229	/nfs/dbraw/zinc/59/62/29/952596229.db2.gz	SDINFDDWQNWXAC-MDYRTPRTSA-N	1	0	358.486	1.816	20	30		FDEDRO
C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@@H]1CCCNc1ccnc(C#N)n1	ZINC001091699261	952657422	/nfs/dbraw/zinc/65/74/22/952657422.db2.gz	JRICGPONHFBOJU-ZACQAIPSSA-N	1	0	370.501	1.684	20	30		FDEDRO
C[C@]12CN(C(=O)Cn3nccn3)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001091703904	952678976	/nfs/dbraw/zinc/67/89/76/952678976.db2.gz	YVFYTUCDRNEHCN-MJGOQNOKSA-N	1	0	350.426	1.130	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC(=O)N(C(CC)CC)C3)C[C@]2(C)C1	ZINC001091709163	952696639	/nfs/dbraw/zinc/69/66/39/952696639.db2.gz	FFFFGIUHOBYBPG-FVJLSDCUSA-N	1	0	359.514	1.827	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc4c(c3)NC(=O)CO4)C[C@]2(C)C1	ZINC001091756948	952806347	/nfs/dbraw/zinc/80/63/47/952806347.db2.gz	ZJWIDMJBIRMUQA-QRWLVFNGSA-N	1	0	355.438	1.988	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cccc(OC)c3)C2)C1=O	ZINC001086861047	952883006	/nfs/dbraw/zinc/88/30/06/952883006.db2.gz	GHWZLEDINGERGQ-KVSKMBFKSA-N	1	0	371.481	1.970	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nccn3CC)C2)nc1	ZINC001086855965	952902110	/nfs/dbraw/zinc/90/21/10/952902110.db2.gz	BEXMMCMGLWFOTI-DLBZAZTESA-N	1	0	351.454	1.968	20	30		FDEDRO
Cn1cccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)c1=O	ZINC001086856343	952902865	/nfs/dbraw/zinc/90/28/65/952902865.db2.gz	VMMMPJWNSQCYLZ-ZWKOTPCHSA-N	1	0	364.449	1.945	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(OC)no3)C2)nc1	ZINC001086857002	952903841	/nfs/dbraw/zinc/90/38/41/952903841.db2.gz	FTDOFUSSCMSQSP-LSDHHAIUSA-N	1	0	354.410	1.748	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H]3CCN(CC=C)C3=O)C2)nc1	ZINC001086857154	952903904	/nfs/dbraw/zinc/90/39/04/952903904.db2.gz	NKTUYYWUFCGQNW-YQVWRLOYSA-N	1	0	366.465	1.338	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccnc(-n3cncn3)c2)C1	ZINC001086887972	952941689	/nfs/dbraw/zinc/94/16/89/952941689.db2.gz	ZKOIQAQXBNPPBS-DZGCQCFKSA-N	1	0	360.849	1.903	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)C(F)F)C[C@H]2[NH2+]Cc2cccc(C#N)c2)cn1	ZINC001086961596	952959125	/nfs/dbraw/zinc/95/91/25/952959125.db2.gz	MHLNKBLDAHHJPZ-JKSUJKDBSA-N	1	0	359.380	1.641	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2c2cnn(C)c2)cc1	ZINC001086970706	952972427	/nfs/dbraw/zinc/97/24/27/952972427.db2.gz	FKGAITLROXNLSR-ZOCIIQOWSA-N	1	0	367.453	1.673	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cc(C3CC3)no2)C1	ZINC001086971251	952974029	/nfs/dbraw/zinc/97/40/29/952974029.db2.gz	DQVZOIDNQNIZGE-PZPSRYQVSA-N	1	0	368.441	1.529	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2[NH2+]Cc2cncc(F)c2)cn1	ZINC001086978443	952990482	/nfs/dbraw/zinc/99/04/82/952990482.db2.gz	WUMWNCHWBAZXKG-RBUKOAKNSA-N	1	0	367.428	1.452	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2[NH2+]C[C@@H]2CC(C)(C)CO2)cn1	ZINC001086978570	952990972	/nfs/dbraw/zinc/99/09/72/952990972.db2.gz	DLMSZHKARWVQQB-GBESFXJTSA-N	1	0	370.497	1.533	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2sc(C3CC3)nc2C)C[C@H]1c1cnn(C)c1	ZINC001086978863	952991236	/nfs/dbraw/zinc/99/12/36/952991236.db2.gz	VNKJDMRCULCVQP-JKSUJKDBSA-N	1	0	369.494	1.893	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)cnc3c2)C[C@H]1c1cnn(C)c1	ZINC001086978951	952991767	/nfs/dbraw/zinc/99/17/67/952991767.db2.gz	AKPTYYAFIGDWGO-ZWKOTPCHSA-N	1	0	362.437	1.207	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc3n2CCCCC3)C[C@H]1c1cnn(C)c1	ZINC001086984043	952998376	/nfs/dbraw/zinc/99/83/76/952998376.db2.gz	WULYTKQHMSLCIO-DLBZAZTESA-N	1	0	366.469	1.174	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccccc2CC)C[C@H]1c1cnn(C)c1	ZINC001086984298	952998745	/nfs/dbraw/zinc/99/87/45/952998745.db2.gz	JCLKWASWRFAYNI-VQTJNVASSA-N	1	0	350.466	1.742	20	30		FDEDRO
Cc1c(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](NCC#N)C2)ccc2c[nH+]cn21	ZINC001086985358	953002226	/nfs/dbraw/zinc/00/22/26/953002226.db2.gz	GLAFHCLYOYOURH-ZWKOTPCHSA-N	1	0	363.425	1.098	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccoc2C(F)(F)F)C[C@H]1c1cnn(C)c1	ZINC001086981626	953033427	/nfs/dbraw/zinc/03/34/27/953033427.db2.gz	UGZVEQRKAIRDQZ-UONOGXRCSA-N	1	0	366.343	1.863	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccn(CC(C)C)n2)C[C@H]1c1cnn(C)c1	ZINC001086981583	953033475	/nfs/dbraw/zinc/03/34/75/953033475.db2.gz	RBBJWPXRJKJBKA-FUHWJXTLSA-N	1	0	354.458	1.104	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CC/C=C/CCC)C[C@H]1O	ZINC001196691305	971890679	/nfs/dbraw/zinc/89/06/79/971890679.db2.gz	CAXJUJDQXOIRHU-AMGLGWGCSA-N	1	0	351.491	1.365	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc3c2COCC3)C[C@H]1c1cnn(C)c1	ZINC001086982089	953034413	/nfs/dbraw/zinc/03/44/13/953034413.db2.gz	SQGMPGYBZDNVPE-AZUAARDMSA-N	1	0	364.449	1.324	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3ccncc3C2)C[C@H]1c1cnn(C)c1	ZINC001086996771	953038566	/nfs/dbraw/zinc/03/85/66/953038566.db2.gz	VAWLTKJRIGKZPX-FFZOFVMBSA-N	1	0	365.481	1.690	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2cccs2)C[C@H]1c1cnn(C)c1	ZINC001086999973	953048721	/nfs/dbraw/zinc/04/87/21/953048721.db2.gz	AGJOPSGVCYFTIU-JCGIZDLHSA-N	1	0	356.495	1.878	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCn2ccnc2C(C)C)C[C@H]1c1cnn(C)c1	ZINC001087000190	953049488	/nfs/dbraw/zinc/04/94/88/953049488.db2.gz	KNUWAOFWVHNGSH-ZWKOTPCHSA-N	1	0	370.501	1.900	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(F)ccc(F)c2F)C[C@H]1c1cnn(C)c1	ZINC001086994863	953066458	/nfs/dbraw/zinc/06/64/58/953066458.db2.gz	YABDFMMFQYDQDL-SWLSCSKDSA-N	1	0	362.355	1.668	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)N(C)CC3)C[C@H]1c1cnn(C)c1	ZINC001087008027	953094506	/nfs/dbraw/zinc/09/45/06/953094506.db2.gz	JHTMJLAFDOLAJF-RBUKOAKNSA-N	1	0	363.465	1.243	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COc2ccc(OC)cc2)C[C@H]1c1cnn(C)c1	ZINC001087009120	953097220	/nfs/dbraw/zinc/09/72/20/953097220.db2.gz	QEXKPUPOOLMBLB-RBUKOAKNSA-N	1	0	368.437	1.025	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnc3n[nH]c(C)c3c2)C[C@H]1c1cnn(C)c1	ZINC001087009551	953098354	/nfs/dbraw/zinc/09/83/54/953098354.db2.gz	MDVLSSLOGDAQLY-DLBZAZTESA-N	1	0	365.441	1.384	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2c(C)nn(C)c2C)C[C@H]1c1cnn(C)c1	ZINC001087011852	953105002	/nfs/dbraw/zinc/10/50/02/953105002.db2.gz	UHIDKWHJNMSIRT-DOPJRALCSA-N	1	0	368.485	1.091	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C(F)F)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001087013593	953108927	/nfs/dbraw/zinc/10/89/27/953108927.db2.gz	AXNMTUKXPJARRB-UKRRQHHQSA-N	1	0	355.360	1.916	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H]2CCCOC2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087032973	953132788	/nfs/dbraw/zinc/13/27/88/953132788.db2.gz	FCTNGGIXDOHPBO-XUVXKRRUSA-N	1	0	371.481	1.938	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1nccn1C(F)F	ZINC001087035461	953145024	/nfs/dbraw/zinc/14/50/24/953145024.db2.gz	AZEVZPQQQVROEV-YNEHKIRRSA-N	1	0	355.389	1.391	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1ccc(OC)c(C#N)c1	ZINC001087035779	953145776	/nfs/dbraw/zinc/14/57/76/953145776.db2.gz	MJWAJNDUNHQBPX-POZUXBRTSA-N	1	0	370.453	1.680	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1cc(C)on1	ZINC001087039736	953155789	/nfs/dbraw/zinc/15/57/89/953155789.db2.gz	BSFUMLJYYJWHFX-RHSMWYFYSA-N	1	0	357.414	1.450	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1ncc(C)o1	ZINC001087040224	953157189	/nfs/dbraw/zinc/15/71/89/953157189.db2.gz	XOURPWUWWVGOCA-GDBMZVCRSA-N	1	0	357.414	1.450	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1cc(F)ccc1OC	ZINC001087034329	953171747	/nfs/dbraw/zinc/17/17/47/953171747.db2.gz	AKNGOIQDXKKOQA-JCKWVBRZSA-N	1	0	363.433	1.947	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001087052283	953182971	/nfs/dbraw/zinc/18/29/71/953182971.db2.gz	OJRAVYODKQHHRY-NVXWUHKLSA-N	1	0	371.416	1.687	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+][C@H](C)c1cnc(C)cn1	ZINC001087053618	953186152	/nfs/dbraw/zinc/18/61/52/953186152.db2.gz	YRFONVNNNDROKL-SZVBFZGTSA-N	1	0	356.470	1.713	20	30		FDEDRO
CCCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1OCC	ZINC001087053528	953186308	/nfs/dbraw/zinc/18/63/08/953186308.db2.gz	UULQKIUOEJGIFR-IAGOWNOFSA-N	1	0	359.474	1.055	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1ncc(C)cn1	ZINC001087046027	953193226	/nfs/dbraw/zinc/19/32/26/953193226.db2.gz	GCOFEGXHGKZVIP-RHSMWYFYSA-N	1	0	368.441	1.252	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cncnc2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087046858	953194512	/nfs/dbraw/zinc/19/45/12/953194512.db2.gz	DWBLPOLAWOSVJG-RTBURBONSA-N	1	0	365.437	1.615	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccccn2)[C@H](OCC)C1	ZINC001087059935	953202896	/nfs/dbraw/zinc/20/28/96/953202896.db2.gz	BRALBIMSCCJXGL-YZGWKJHDSA-N	1	0	370.497	1.132	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2n[nH]nc2C)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087071465	953226095	/nfs/dbraw/zinc/22/60/95/953226095.db2.gz	RKKBVHVRXFHKMA-IAGOWNOFSA-N	1	0	368.441	1.252	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3ccccn3)[C@H](OCC)C2)c1	ZINC001087082419	953241022	/nfs/dbraw/zinc/24/10/22/953241022.db2.gz	KZQPSKRIXRCBMY-UYAOXDASSA-N	1	0	364.449	1.725	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ncccn2)[C@H](OCC)C1	ZINC001087085419	953246701	/nfs/dbraw/zinc/24/67/01/953246701.db2.gz	CVJABQFJTWVLTK-WCXIOVBPSA-N	1	0	360.458	1.021	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccccn2)[C@H](OCC)C1	ZINC001087085778	953247217	/nfs/dbraw/zinc/24/72/17/953247217.db2.gz	WPRWXLNAHIGUJG-OQIJWPOYSA-N	1	0	359.470	1.626	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087101003	953271887	/nfs/dbraw/zinc/27/18/87/953271887.db2.gz	OWCQWBMSDKEKRI-IEBWSBKVSA-N	1	0	367.453	1.559	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@@]2(C)C1	ZINC001091794033	953317986	/nfs/dbraw/zinc/31/79/86/953317986.db2.gz	XXLHYRSGJFOTGR-SXGZJXTBSA-N	1	0	357.454	1.519	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N[C@H]1CCN(c2nc(C)cc(C#N)n2)[C@@H]1CC	ZINC001091797139	953323671	/nfs/dbraw/zinc/32/36/71/953323671.db2.gz	GJRVKPLUYXIUHN-DLBZAZTESA-N	1	0	358.490	1.862	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)CCN1c1nc(C)cc(C#N)n1	ZINC001091811623	953345613	/nfs/dbraw/zinc/34/56/13/953345613.db2.gz	LAPZTLORZNHFLT-JKSUJKDBSA-N	1	0	358.490	1.861	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cc(C(F)(F)F)ncn3)C[C@]2(C)C1	ZINC001091848729	953438307	/nfs/dbraw/zinc/43/83/07/953438307.db2.gz	GZDNUZZFAHYXIE-WBMJQRKESA-N	1	0	352.360	1.913	20	30		FDEDRO
C[C@@]12C[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@@]1(C)C(=O)NC2=O	ZINC001196833667	971932125	/nfs/dbraw/zinc/93/21/25/971932125.db2.gz	UCZDDYQPCMPPAW-ROUUACIJSA-N	1	0	374.828	1.525	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N1C[C@H]2CCN(c3ccc(C#N)cn3)C[C@H]2C1	ZINC001091856712	953562810	/nfs/dbraw/zinc/56/28/10/953562810.db2.gz	IDXXZPCIRLCDDX-MSOLQXFVSA-N	1	0	355.486	1.970	20	30		FDEDRO
C[N@H+](CC(=O)N1C[C@H]2CCN(c3ccnc(C#N)n3)C[C@H]2C1)CC(C)(C)C	ZINC001091870328	953625838	/nfs/dbraw/zinc/62/58/38/953625838.db2.gz	NCJJKNZKLPKMEX-CVEARBPZSA-N	1	0	370.501	1.611	20	30		FDEDRO
CC[C@H](C(=O)N1C[C@H]2CCN(c3ccc(C#N)nn3)C[C@H]2C1)[NH+](CC)CC	ZINC001091870564	953626978	/nfs/dbraw/zinc/62/69/78/953626978.db2.gz	VQWSDIWUQCATGO-SOLBZPMBSA-N	1	0	370.501	1.753	20	30		FDEDRO
C[C@]1(C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@@]3(C)C2)CNC(=O)C1	ZINC001091875811	953644490	/nfs/dbraw/zinc/64/44/90/953644490.db2.gz	KMOAJYSCYUSDEC-UIFIKXQLSA-N	1	0	366.465	1.365	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cnc4c(c3)c(C)nn4C)C[C@]2(C)C1	ZINC001091900156	953658203	/nfs/dbraw/zinc/65/82/03/953658203.db2.gz	ZZGBLINWYAVDDC-UZLBHIALSA-N	1	0	351.454	1.694	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@@]3(C)C2)cc1	ZINC001091907441	953685571	/nfs/dbraw/zinc/68/55/71/953685571.db2.gz	WXEGRKRHNBKHOU-OPYAIIAOSA-N	1	0	351.450	1.340	20	30		FDEDRO
Cn1c(C(=O)N2C[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@@]3(C)C2)c[nH]c1=O	ZINC001091915191	953705167	/nfs/dbraw/zinc/70/51/67/953705167.db2.gz	TWOVOVUOBZOPTQ-UTKZUKDTSA-N	1	0	364.449	1.571	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc(-n4cncn4)nc3)C[C@]2(C)C1	ZINC001091899186	953741234	/nfs/dbraw/zinc/74/12/34/953741234.db2.gz	LNEGMJAVVVMMDO-APWZRJJASA-N	1	0	350.426	1.080	20	30		FDEDRO
C[C@]12CN(C(=O)C3(C(N)=O)CC3)C[C@H]1C[N@H+](Cc1ccc(F)c(C#N)c1)C2	ZINC001091970609	953771289	/nfs/dbraw/zinc/77/12/89/953771289.db2.gz	UXWMQJKXYBJVOO-BEFAXECRSA-N	1	0	370.428	1.243	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3C[N@@H+](CCc4ccnn4C)C[C@@]3(C)C2)c1	ZINC001091997005	953914406	/nfs/dbraw/zinc/91/44/06/953914406.db2.gz	GTIREPVKLKGDJR-NQIIRXRSSA-N	1	0	363.465	1.433	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@]3(C)CCNC3=O)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001092008394	953951184	/nfs/dbraw/zinc/95/11/84/953951184.db2.gz	JSKHHMUNIRSFMT-COPCDDAFSA-N	1	0	365.477	1.345	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCN(c2ncccc2C#N)[C@@H]1C	ZINC001091972792	953958928	/nfs/dbraw/zinc/95/89/28/953958928.db2.gz	OWKLBTPPCDPXOV-INMHGKMJSA-N	1	0	357.458	1.005	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]1C[N@H+](Cc1ccc(C#N)s1)C2	ZINC001092018203	954076973	/nfs/dbraw/zinc/07/69/73/954076973.db2.gz	XTYJXFDECWDDDO-GMIDFTQGSA-N	1	0	358.467	1.021	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)C3(S(C)(=O)=O)CCCC3)C[C@]2(C)C1	ZINC001092096617	954281905	/nfs/dbraw/zinc/28/19/05/954281905.db2.gz	CMCIWORNIRLBTG-WBVHZDCISA-N	1	0	354.516	1.700	20	30		FDEDRO
C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)c3ccc4n[nH]c(=O)n4c3)C[C@]2(C)C1	ZINC001092097263	954287012	/nfs/dbraw/zinc/28/70/12/954287012.db2.gz	PETRFDZYLGMAKP-DYVFJYSZSA-N	1	0	361.833	1.581	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1nc(C3CC3)nn1C)C2	ZINC001110128831	954392362	/nfs/dbraw/zinc/39/23/62/954392362.db2.gz	DCUMTZCYULACJA-PMPSAXMXSA-N	1	0	359.474	1.159	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cnn(-c4nccs4)c3)C[C@]2(C)C1	ZINC001092189074	954490645	/nfs/dbraw/zinc/49/06/45/954490645.db2.gz	YKWXCHFEEXSFCU-QAPCUYQASA-N	1	0	355.467	1.746	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@H+](C[C@H]4CCCOC4)C[C@@]3(C)C2)cn1	ZINC001092211296	954616879	/nfs/dbraw/zinc/61/68/79/954616879.db2.gz	BPXUHXBDGITZQP-BLIXFSHQSA-N	1	0	353.466	1.883	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+]([C@H](C)C(=O)NC4CC4)C[C@@]3(C)C2)nc1	ZINC001092211476	954618862	/nfs/dbraw/zinc/61/88/62/954618862.db2.gz	GYYOHWVWWNXFQX-NVAPDCRFSA-N	1	0	366.465	1.124	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+](CC(=O)N(C)C4CC4)C[C@@]3(C)C2)cn1	ZINC001092211572	954619104	/nfs/dbraw/zinc/61/91/04/954619104.db2.gz	ISGOGPGGSJMOMK-IERDGZPVSA-N	1	0	366.465	1.078	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc(CNC(N)=O)cc3)C[C@]2(C)C1	ZINC001092263591	954622102	/nfs/dbraw/zinc/62/21/02/954622102.db2.gz	QXFFDWOCADEAND-XLIONFOSSA-N	1	0	354.454	1.272	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccccc3-n3cnnn3)C[C@]2(C)C1	ZINC001092266944	954634617	/nfs/dbraw/zinc/63/46/17/954634617.db2.gz	IGTXKHXSJPDUFI-BEFAXECRSA-N	1	0	350.426	1.080	20	30		FDEDRO
C[C@]12CN(C(=O)Cn3cncn3)C[C@H]1C[N@H+](Cc1cc(C#N)ccc1F)C2	ZINC001092256107	954717522	/nfs/dbraw/zinc/71/75/22/954717522.db2.gz	GBHLYLWXOWPKKE-APWZRJJASA-N	1	0	368.416	1.269	20	30		FDEDRO
C[C@]12CN(C(=O)Cn3ccnc3)C[C@H]1C[N@H+](CC#Cc1ccc(F)cc1)C2	ZINC001092317296	954822973	/nfs/dbraw/zinc/82/29/73/954822973.db2.gz	PJYAEEMKEFARRC-NQIIRXRSSA-N	1	0	366.440	1.854	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)N3CCOCC3)C[C@]2(C)C1	ZINC001092291770	954888363	/nfs/dbraw/zinc/88/83/63/954888363.db2.gz	JSZKOZNUWIYVLX-SBHAEUEKSA-N	1	0	361.530	1.844	20	30		FDEDRO
Cc1cc(N2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)c(C#N)cn1	ZINC001092292944	954897427	/nfs/dbraw/zinc/89/74/27/954897427.db2.gz	QTYQOGHZYKRBBO-XLIONFOSSA-N	1	0	371.485	1.125	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1C[C@H]2CN(c3ncccc3C#N)C[C@@]2(C)C1	ZINC001092293728	954901033	/nfs/dbraw/zinc/90/10/33/954901033.db2.gz	RVWTXBGPNMKVAA-FXAWDEMLSA-N	1	0	355.486	1.970	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N1C[C@H]2CN(c3snc(C)c3C#N)C[C@@]2(C)C1	ZINC001092296096	954906249	/nfs/dbraw/zinc/90/62/49/954906249.db2.gz	UFDJUQOAMUGNJF-KBXCAEBGSA-N	1	0	361.515	1.950	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCN(C(=O)CCC)C3)C[C@]2(C)C1	ZINC001092295949	954906398	/nfs/dbraw/zinc/90/63/98/954906398.db2.gz	DDKIVOXKIPKSMZ-OPYAIIAOSA-N	1	0	359.514	1.829	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCCN3C(=O)CCC)C[C@]2(C)C1	ZINC001092296943	954909609	/nfs/dbraw/zinc/90/96/09/954909609.db2.gz	NQSMHFQOUOEZSQ-OPYAIIAOSA-N	1	0	359.514	1.971	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)NC[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1C	ZINC001092389289	954988823	/nfs/dbraw/zinc/98/88/23/954988823.db2.gz	HAXDFXKUDUWLGE-GDBMZVCRSA-N	1	0	358.490	1.577	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1	ZINC001092405173	955027520	/nfs/dbraw/zinc/02/75/20/955027520.db2.gz	LGNDDPFKWVMTLA-GDBMZVCRSA-N	1	0	356.474	1.269	20	30		FDEDRO
C[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@H]1CNC(=O)C[NH+]1CCCC1	ZINC001092364645	955030297	/nfs/dbraw/zinc/03/02/97/955030297.db2.gz	TZWJRBOBLABVHD-VXGBXAGGSA-N	1	0	367.906	1.952	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CN(c2ccncc2C#N)C[C@H]1C	ZINC001092366734	955032956	/nfs/dbraw/zinc/03/29/56/955032956.db2.gz	SCGOZYBFIRNALR-JFIYKMOQSA-N	1	0	371.485	1.110	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CN(c2ccncc2C#N)C[C@H]1C	ZINC001092366736	955033592	/nfs/dbraw/zinc/03/35/92/955033592.db2.gz	SCGOZYBFIRNALR-SOLBZPMBSA-N	1	0	371.485	1.110	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CNC(=O)CCC[NH+]1CCCCC1	ZINC001092366767	955033992	/nfs/dbraw/zinc/03/39/92/955033992.db2.gz	TYNYCWNAYYBPEU-IAGOWNOFSA-N	1	0	370.501	1.803	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](CNC(=O)C[N@H+]3CC[C@H](C)C3)[C@H](C)C2)n1	ZINC001092445317	955118578	/nfs/dbraw/zinc/11/85/78/955118578.db2.gz	RJQRTTNZOCXWDX-SQWLQELKSA-N	1	0	356.474	1.187	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CNC(=O)C[N@@H+]1CCC(C)(C)C1	ZINC001092446340	955123938	/nfs/dbraw/zinc/12/39/38/955123938.db2.gz	QIJJSOYGBYEKMB-HUUCEWRRSA-N	1	0	356.474	1.269	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C	ZINC001092460620	955185301	/nfs/dbraw/zinc/18/53/01/955185301.db2.gz	VGOKJLUDTIAAHS-INMHGKMJSA-N	1	0	356.474	1.411	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(NC(C)=O)c2)C1	ZINC001197097226	972078303	/nfs/dbraw/zinc/07/83/03/972078303.db2.gz	ATOLJSVSCJNLPM-IAGOWNOFSA-N	1	0	362.474	1.785	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3ccc(C)nc3)[C@H](C)C2)C1=O	ZINC001092472328	955210632	/nfs/dbraw/zinc/21/06/32/955210632.db2.gz	FBXLMUXMAVNYSM-OLMNPRSZSA-N	1	0	356.470	1.475	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1CN(c2nccnc2C#N)C[C@H]1C	ZINC001092523896	955322219	/nfs/dbraw/zinc/32/22/19/955322219.db2.gz	QEZKFQZYTGZFHF-JFIYKMOQSA-N	1	0	370.501	1.801	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CCNC(=O)CC1CC[NH+](C)CC1	ZINC001092547753	955386217	/nfs/dbraw/zinc/38/62/17/955386217.db2.gz	INEGRWRTDZLUMJ-NVXWUHKLSA-N	1	0	370.501	1.659	20	30		FDEDRO
C[C@@H]1CN(c2ccncc2C#N)C[C@H]1CCNC(=O)[C@@H](C1CC1)[NH+](C)C	ZINC001092550276	955397913	/nfs/dbraw/zinc/39/79/13/955397913.db2.gz	RFEOTVHMNMSMFT-IDHHARJASA-N	1	0	355.486	1.872	20	30		FDEDRO
Cc1nc(C)n(CC[N@@H+]2C[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)n1	ZINC001092551108	955401419	/nfs/dbraw/zinc/40/14/19/955401419.db2.gz	JNOKQIOCPOWIGM-IUODEOHRSA-N	1	0	355.446	1.093	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001092551586	955404126	/nfs/dbraw/zinc/40/41/26/955404126.db2.gz	MUAWICXFTNYMTP-OIISXLGYSA-N	1	0	368.485	1.269	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](CCNC(=O)C3([NH+](C)C)CCC3)C2)n1	ZINC001092551831	955407092	/nfs/dbraw/zinc/40/70/92/955407092.db2.gz	HBCWKFSJAADHHG-GDBMZVCRSA-N	1	0	370.501	1.720	20	30		FDEDRO
CC[N@H+](C)CCC(=O)NCC[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1C	ZINC001092541090	955538243	/nfs/dbraw/zinc/53/82/43/955538243.db2.gz	ZOLMAKRWWPKFBA-GDBMZVCRSA-N	1	0	358.490	1.577	20	30		FDEDRO
C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2cn(CCOC)nc2C)[C@H](C)C1	ZINC001092603894	955636615	/nfs/dbraw/zinc/63/66/15/955636615.db2.gz	PKGINGHBDPOFCL-IUODEOHRSA-N	1	0	354.882	1.888	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CCNC(=O)[C@@H]1CCCC[N@@H+]1C	ZINC001092571490	955679677	/nfs/dbraw/zinc/67/96/77/955679677.db2.gz	XYCDJHMSTTUJEY-INMHGKMJSA-N	1	0	356.474	1.411	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)c1cc(=O)n(C)o1	ZINC001092571898	955682037	/nfs/dbraw/zinc/68/20/37/955682037.db2.gz	UBBIMQKQUUKJST-CZUORRHYSA-N	1	0	354.410	1.348	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CNC(=O)c2ncn(C)n2)[C@H](C)C1	ZINC001092583843	955729564	/nfs/dbraw/zinc/72/95/64/955729564.db2.gz	VCEJWCMZGSILFH-CZUORRHYSA-N	1	0	368.441	1.193	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)c1ncn(C)n1	ZINC001092583878	955729961	/nfs/dbraw/zinc/72/99/61/955729961.db2.gz	WNWBMKCBOOWWHN-IUODEOHRSA-N	1	0	356.405	1.324	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)NCC[C@@H]2CN(c3ccc(C#N)nc3)C[C@H]2C)C1	ZINC001092584119	955730117	/nfs/dbraw/zinc/73/01/17/955730117.db2.gz	HSJUDDGSMLANDS-GVDBMIGSSA-N	1	0	355.486	1.874	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1CNc1ccc(C#N)nn1	ZINC001092653265	955801867	/nfs/dbraw/zinc/80/18/67/955801867.db2.gz	UQBHUZIJIPIQRU-HZPDHXFCSA-N	1	0	356.474	1.731	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)c1cc2n(n1)CCO2	ZINC001092679882	956003902	/nfs/dbraw/zinc/00/39/02/956003902.db2.gz	CKKLUYYUMARDBW-RHSMWYFYSA-N	1	0	365.437	1.645	20	30		FDEDRO
CC[C@@H](C(=O)NC[C@]12CCC[C@H]1N(c1cnc(C#N)cn1)CC2)[NH+](C)C	ZINC001092702306	956098851	/nfs/dbraw/zinc/09/88/51/956098851.db2.gz	SEJCMACRIQLWJK-FRQCXROJSA-N	1	0	356.474	1.554	20	30		FDEDRO
C[NH+](C)[C@H](C(=O)NC[C@]12CCC[C@H]1N(c1cnc(C#N)cn1)CC2)C1CC1	ZINC001092704465	956113120	/nfs/dbraw/zinc/11/31/20/956113120.db2.gz	GSQXFKQTUOPTEI-IMFGXOCKSA-N	1	0	368.485	1.554	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)[C@H](C)C1	ZINC001092691546	956205324	/nfs/dbraw/zinc/20/53/24/956205324.db2.gz	QYUGKUDUGJUWBY-BRSBDYLESA-N	1	0	358.486	1.595	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncccc1C#N	ZINC001092837711	956451484	/nfs/dbraw/zinc/45/14/84/956451484.db2.gz	UQQCARDQWCDMJR-RANZSIQMSA-N	1	0	369.469	1.147	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)[C@@H]1CCNC1=O	ZINC001092883744	956658353	/nfs/dbraw/zinc/65/83/53/956658353.db2.gz	MXPREJBNDNEASH-DAXOMENPSA-N	1	0	358.417	1.018	20	30		FDEDRO
CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1)[NH+](CC)CC	ZINC001092910318	956751841	/nfs/dbraw/zinc/75/18/41/956751841.db2.gz	CCABMQSZGLRIMA-UGUYLWEFSA-N	1	0	356.474	1.695	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3nnn(C)c3C2)[C@H](C)C1	ZINC001092916310	956773078	/nfs/dbraw/zinc/77/30/78/956773078.db2.gz	XZQRJBHTOBRVED-KWCYVHTRSA-N	1	0	351.882	1.357	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)cc(C#N)n1	ZINC001092888263	956798536	/nfs/dbraw/zinc/79/85/36/956798536.db2.gz	VAYQXWHQNNFVEP-QZWWFDLISA-N	1	0	374.464	1.563	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[N@H+](Cc3ccn(CC)n3)C[C@H]2C)c1	ZINC001092952701	956886915	/nfs/dbraw/zinc/88/69/15/956886915.db2.gz	PWNWCEKPVZEHJG-CRAIPNDOSA-N	1	0	351.454	1.777	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)c1cc(C(N)=O)co1	ZINC001092960327	956913026	/nfs/dbraw/zinc/91/30/26/956913026.db2.gz	VKIZDBHTSWABAH-CXAGYDPISA-N	1	0	366.421	1.748	20	30		FDEDRO
C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2ccnc(C(F)(F)F)c2)C1	ZINC001197442408	972232377	/nfs/dbraw/zinc/23/23/77/972232377.db2.gz	ZJEUZXUVJBYXOJ-CHWSQXEVSA-N	1	0	359.348	1.078	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)c1cnn(C)n1	ZINC001093051992	957226384	/nfs/dbraw/zinc/22/63/84/957226384.db2.gz	LRUYDJLDLAFBGW-GDBMZVCRSA-N	1	0	355.417	1.304	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)C2CC2)[C@H](C)C1	ZINC001093030878	957239189	/nfs/dbraw/zinc/23/91/89/957239189.db2.gz	PNFFQNHHAKCSNM-WQVCFCJDSA-N	1	0	353.894	1.824	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1C	ZINC001093033065	957248312	/nfs/dbraw/zinc/24/83/12/957248312.db2.gz	XUXILSWGYDTCHB-VXNCWWDNSA-N	1	0	363.502	1.274	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1	ZINC001093057061	957275260	/nfs/dbraw/zinc/27/52/60/957275260.db2.gz	DCOUGWHVCVTIPX-HZMVEIRTSA-N	1	0	354.458	1.449	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@]12CCC[C@H]1CN(c1nccnc1C#N)C2	ZINC001093108563	957494374	/nfs/dbraw/zinc/49/43/74/957494374.db2.gz	NVTMLRHMRHQDNJ-YRNRMSPPSA-N	1	0	368.485	1.698	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2cnc(C#N)cn2)C1	ZINC001093113628	957550301	/nfs/dbraw/zinc/55/03/01/957550301.db2.gz	AKFMQOGYRVPHGF-CHWSQXEVSA-N	1	0	370.379	1.491	20	30		FDEDRO
C[NH+](C)CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2ccc(C#N)nn2)C1	ZINC001093115676	957558011	/nfs/dbraw/zinc/55/80/11/957558011.db2.gz	MSVAIBZRHJRYLN-CHWSQXEVSA-N	1	0	370.379	1.491	20	30		FDEDRO
CCN1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)C1	ZINC001093213267	957831620	/nfs/dbraw/zinc/83/16/20/957831620.db2.gz	XZZKRJQBNUMLAL-AHRSYUTCSA-N	1	0	370.497	1.463	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)C(=O)C(C)(C)C)C[C@H]2C)C1=O	ZINC001093271524	957938746	/nfs/dbraw/zinc/93/87/46/957938746.db2.gz	JGDOJLUHKDWJNV-OAGGEKHMSA-N	1	0	363.502	1.463	20	30		FDEDRO
CC(C)N1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)C1=O	ZINC001093275232	957945944	/nfs/dbraw/zinc/94/59/44/957945944.db2.gz	XHJPIGICAPPQMA-IIDMSEBBSA-N	1	0	371.485	1.583	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCCNC2=O)C1	ZINC001093278525	957950270	/nfs/dbraw/zinc/95/02/70/957950270.db2.gz	CGNIIDMPWGHQDB-ZACQAIPSSA-N	1	0	358.486	1.641	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H]3CCN(C)C3=O)C2)cc1	ZINC001093280085	957954149	/nfs/dbraw/zinc/95/41/49/957954149.db2.gz	COXZDYACSHKPNK-ATZDWAIDSA-N	1	0	353.466	1.586	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H]3CCC(=O)NC3=O)C2)CC1	ZINC001093284429	957965703	/nfs/dbraw/zinc/96/57/03/957965703.db2.gz	GQHOZQKESWQQGE-DJIMGWMZSA-N	1	0	361.486	1.612	20	30		FDEDRO
C#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC1	ZINC001093378244	958017845	/nfs/dbraw/zinc/01/78/45/958017845.db2.gz	LJYMPWZCLBSJSM-FGTMMUONSA-N	1	0	357.498	1.437	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CN3CCCC3=O)[C@H]2C(C)C)C[C@H]1O	ZINC001093432969	958058155	/nfs/dbraw/zinc/05/81/55/958058155.db2.gz	FHEYIBOQJVDZRE-YAJHFMINSA-N	1	0	363.502	1.151	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn[nH]c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093432338	958058448	/nfs/dbraw/zinc/05/84/48/958058448.db2.gz	CVACLASCLUXWGX-AIANPOQGSA-N	1	0	352.866	1.742	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCn3cccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093434068	958061908	/nfs/dbraw/zinc/06/19/08/958061908.db2.gz	LTQPZPKJJIEATG-LFGUQSLTSA-N	1	0	360.502	1.815	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C)nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093437486	958069823	/nfs/dbraw/zinc/06/98/23/958069823.db2.gz	SFTSQWJWOZYXDC-FTEYMNFISA-N	1	0	360.502	1.884	20	30		FDEDRO
Cc1nocc1C[NH2+][C@@H]1C[C@]2(CN(C(=O)C#CC3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093442929	958082193	/nfs/dbraw/zinc/08/21/93/958082193.db2.gz	MDBAJJIWINCNQM-RMVXJAJNSA-N	1	0	371.481	1.863	20	30		FDEDRO
Cc1cc(C[NH2+][C@@H]2C[C@@]3(CN(C(=O)C#CC4CC4)[C@H]3C(C)C)C[C@H]2O)on1	ZINC001093443561	958085032	/nfs/dbraw/zinc/08/50/32/958085032.db2.gz	RQSXSGRKLWEXKL-QCFAMHMHSA-N	1	0	371.481	1.863	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)C#CC2CC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccnn1C)C2	ZINC001093443479	958085447	/nfs/dbraw/zinc/08/54/47/958085447.db2.gz	RAJZARXJPQFHQD-VURPSTOHSA-N	1	0	370.497	1.300	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3(O)CCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093445540	958091237	/nfs/dbraw/zinc/09/12/37/958091237.db2.gz	CNUYPYWNDRJGQI-ZAWLATJESA-N	1	0	350.503	1.834	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncc4nc[nH]c43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093446488	958095587	/nfs/dbraw/zinc/09/55/87/958095587.db2.gz	IGXXWQCLLRBUTE-ODZKNYGOSA-N	1	0	369.469	1.724	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccn(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093447103	958098073	/nfs/dbraw/zinc/09/80/73/958098073.db2.gz	QUYGEWYALBJMJP-IZBJGVDFSA-N	1	0	360.502	1.505	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C)nn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093447366	958100515	/nfs/dbraw/zinc/10/05/15/958100515.db2.gz	UTTANAARLRVZDE-XSYGEPLQSA-N	1	0	358.486	1.941	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cnn(C)c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093449235	958114255	/nfs/dbraw/zinc/11/42/55/958114255.db2.gz	NVNVSNCLZOXSNU-IZBJGVDFSA-N	1	0	360.502	1.423	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc4c([nH]3)CCOC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093449251	958114366	/nfs/dbraw/zinc/11/43/66/958114366.db2.gz	OBPHQSLVAPPQRA-WERVVEIQSA-N	1	0	371.481	1.300	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc(CC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093449467	958116638	/nfs/dbraw/zinc/11/66/38/958116638.db2.gz	HHUNNGMHCAZJAF-XCJLJZCSSA-N	1	0	355.482	1.857	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc4n3CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093450535	958125285	/nfs/dbraw/zinc/12/52/85/958125285.db2.gz	MZWWKEAOAHLDNG-BIJSTVTOSA-N	1	0	358.486	1.595	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)ncn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093451749	958135870	/nfs/dbraw/zinc/13/58/70/958135870.db2.gz	XLIDBGXCFNMJNU-ZTRFORPCSA-N	1	0	360.502	1.884	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncnc4[nH]ccc43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452022	958137045	/nfs/dbraw/zinc/13/70/45/958137045.db2.gz	BSNLGUJPCOVZLZ-MXHNKVEKSA-N	1	0	367.453	1.122	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccncc3Cl)[C@H]2C(C)C)C[C@H]1O	ZINC001093464504	958199458	/nfs/dbraw/zinc/19/94/58/958199458.db2.gz	BXYQHNOXDOWNBX-VXNCWWDNSA-N	1	0	361.873	1.948	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH]c(=O)cc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093465641	958204115	/nfs/dbraw/zinc/20/41/15/958204115.db2.gz	KUDNVXIKEXSDTL-HBXLWWENSA-N	1	0	357.454	1.309	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc4c(c3)COC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093466322	958209342	/nfs/dbraw/zinc/20/93/42/958209342.db2.gz	MTAAZXPXHGKXJJ-VMBXEPDQSA-N	1	0	368.477	1.930	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnc(N(C)C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093467517	958214404	/nfs/dbraw/zinc/21/44/04/958214404.db2.gz	UELAMHFJLYCUTH-VGUOSERISA-N	1	0	370.497	1.361	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccn(C(C)C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093467502	958214792	/nfs/dbraw/zinc/21/47/92/958214792.db2.gz	UCVSYRWZHRXEER-XSYGEPLQSA-N	1	0	358.486	1.677	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc(C4CC4)nc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093468304	958217961	/nfs/dbraw/zinc/21/79/61/958217961.db2.gz	YNVUHJVZIZASPS-IKVWTGGYSA-N	1	0	368.481	1.567	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093469324	958221330	/nfs/dbraw/zinc/22/13/30/958221330.db2.gz	FPZVJSZPHATSKB-ZXFNITATSA-N	1	0	364.877	1.809	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(CC)nn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093469573	958222245	/nfs/dbraw/zinc/22/22/45/958222245.db2.gz	IBLNRZURGHZRHL-LBKNJMOBSA-N	1	0	360.502	1.748	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3coc(CC4CC4)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093469633	958222885	/nfs/dbraw/zinc/22/28/85/958222885.db2.gz	JDFQSWQXFYFRKU-QSRMWPQZSA-N	1	0	371.481	1.840	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nc[nH]n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093469841	958224292	/nfs/dbraw/zinc/22/42/92/958224292.db2.gz	LXDCXNFIQWNMJT-BRXULGCHSA-N	1	0	353.854	1.137	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc(OC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093471124	958233296	/nfs/dbraw/zinc/23/32/96/958233296.db2.gz	CCGGJQVQIHELJH-ZTRFORPCSA-N	1	0	357.454	1.303	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cnn(CC)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093471378	958233356	/nfs/dbraw/zinc/23/33/56/958233356.db2.gz	DNPCPCLGLDLVGV-LFGUQSLTSA-N	1	0	358.486	1.045	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C#C)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093472285	958238206	/nfs/dbraw/zinc/23/82/06/958238206.db2.gz	ITTIEQYZJQIMSC-WERVVEIQSA-N	1	0	351.450	1.276	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)c3cnc[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093474620	958248998	/nfs/dbraw/zinc/24/89/98/958248998.db2.gz	SWFAMLZMCNFNDU-MXHNKVEKSA-N	1	0	358.486	1.287	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(C)c3OC)[C@H]2C(C)C)C[C@H]1O	ZINC001093475349	958252604	/nfs/dbraw/zinc/25/26/04/958252604.db2.gz	XLSQYYMPLLAPJJ-JEWRLFTDSA-N	1	0	362.474	1.194	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C(N)=O)cc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093476598	958255739	/nfs/dbraw/zinc/25/57/39/958255739.db2.gz	CWTNXQJLYNZIML-DCXXXQMHSA-N	1	0	371.481	1.551	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn4cccnc4n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452613	958258197	/nfs/dbraw/zinc/25/81/97/958258197.db2.gz	LKYWECDOUUBFHW-WVSUBDOOSA-N	1	0	369.469	1.495	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(CCC)n[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093454471	958267747	/nfs/dbraw/zinc/26/77/47/958267747.db2.gz	FMCIXEVHIOJDQO-FTEYMNFISA-N	1	0	358.486	1.575	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(OC)cs3)[C@H]2C(C)C)C[C@H]1O	ZINC001093455594	958274019	/nfs/dbraw/zinc/27/40/19/958274019.db2.gz	OUXOFIGHAMDUQC-IIHSZXCVSA-N	1	0	362.495	1.970	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(Cl)n(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093456479	958277466	/nfs/dbraw/zinc/27/74/66/958277466.db2.gz	DKRXQKPDRPOOPH-GZOSKZMVSA-N	1	0	366.893	1.839	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3nc(C)cc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093456434	958277691	/nfs/dbraw/zinc/27/76/91/958277691.db2.gz	CVKMPPGYOUDOOO-IZBJGVDFSA-N	1	0	358.486	1.099	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)cc(C)[nH]c3=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001093456389	958277797	/nfs/dbraw/zinc/27/77/97/958277797.db2.gz	ZOBRVKKWMBMTHW-BZSOYRFXSA-N	1	0	371.481	1.617	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c(C)n[nH]c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093477714	958289338	/nfs/dbraw/zinc/28/93/38/958289338.db2.gz	LEIBKTUQAMGUIV-JYBIWHBTSA-N	1	0	360.502	1.721	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccn(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093478326	958294176	/nfs/dbraw/zinc/29/41/76/958294176.db2.gz	DYAUHSMKQWSPEL-XLMAVXFVSA-N	1	0	366.893	1.752	20	30		FDEDRO
N#CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1	ZINC001093487861	958310484	/nfs/dbraw/zinc/31/04/84/958310484.db2.gz	SLZASQWDOLQYEL-MVBLQPKNSA-N	1	0	372.513	1.465	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093620454	958351145	/nfs/dbraw/zinc/35/11/45/958351145.db2.gz	BWRQXYIQUZAIET-CZUORRHYSA-N	1	0	351.410	1.552	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3cc(CC)n[nH]3)C[C@H]2C)C1=O	ZINC001093647173	958420805	/nfs/dbraw/zinc/42/08/05/958420805.db2.gz	GTCSIRDMWKPADX-IIAWOOMASA-N	1	0	359.474	1.057	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001093647526	958422216	/nfs/dbraw/zinc/42/22/16/958422216.db2.gz	SUMMXMQIBKWRSQ-MZMPZRCHSA-N	1	0	361.417	1.297	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)COC3CCCC3)C[C@H]2C)C1=O	ZINC001093652864	958439190	/nfs/dbraw/zinc/43/91/90/958439190.db2.gz	TZMBFMLTYRIOHY-NUJGCVRESA-N	1	0	363.502	1.417	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001093666539	958467884	/nfs/dbraw/zinc/46/78/84/958467884.db2.gz	OQCRXJBZAWWBPX-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3n[nH]c(C)c3C)C[C@H]2C)C1=O	ZINC001093682523	958489466	/nfs/dbraw/zinc/48/94/66/958489466.db2.gz	PCKVEQDLALCCON-DAXOMENPSA-N	1	0	359.474	1.111	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001093684610	958496857	/nfs/dbraw/zinc/49/68/57/958496857.db2.gz	FXDYXFCRFLAMKF-NVXWUHKLSA-N	1	0	367.453	1.739	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2nc3ccccc3c(=O)[nH]2)[C@H](C)C1	ZINC001093677662	958530574	/nfs/dbraw/zinc/53/05/74/958530574.db2.gz	BIGLZHHPSSXNIQ-MGPQQGTHSA-N	1	0	353.426	1.679	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2COC(=O)C2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093714731	958579000	/nfs/dbraw/zinc/57/90/00/958579000.db2.gz	BSUCZZAQZQRACN-MGPQQGTHSA-N	1	0	361.467	1.757	20	30		FDEDRO
Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)n1C1CC1	ZINC001093722479	958598300	/nfs/dbraw/zinc/59/83/00/958598300.db2.gz	IQBZLTZPWMEOOQ-TZMCWYRMSA-N	1	0	367.457	1.619	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1nc(C2CC2)no1	ZINC001093722605	958599406	/nfs/dbraw/zinc/59/94/06/958599406.db2.gz	SJHMWFAMBIUEDJ-DGCLKSJQSA-N	1	0	354.414	1.645	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1noc2c1COCC2	ZINC001093722589	958599512	/nfs/dbraw/zinc/59/95/12/958599512.db2.gz	QWRWIOTVQGSKKK-CHWSQXEVSA-N	1	0	369.425	1.445	20	30		FDEDRO
CCc1noc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)n1	ZINC001093725691	958609360	/nfs/dbraw/zinc/60/93/60/958609360.db2.gz	ZLURUDDZGDAVOP-YRGRVCCFSA-N	1	0	356.430	1.891	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+][C@H]1CCN(C(C)(C)C)C1=O	ZINC001093726062	958612104	/nfs/dbraw/zinc/61/21/04/958612104.db2.gz	OATXOSJBGNMIOS-UNEWFSDZSA-N	1	0	371.485	1.583	20	30		FDEDRO
C#C[C@H](NC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCO1	ZINC000773213842	958636142	/nfs/dbraw/zinc/63/61/42/958636142.db2.gz	HONVJHOMBPJQEH-VQTJNVASSA-N	1	0	370.497	1.284	20	30		FDEDRO
CCO[C@@H](C)c1noc(C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)n1	ZINC001093762160	958701050	/nfs/dbraw/zinc/70/10/50/958701050.db2.gz	TXMSNEKTJOLYQN-IJEWVQPXSA-N	1	0	360.458	1.765	20	30		FDEDRO
C[C@@H]1CN(C(=O)CO[C@@H]2CCOC2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093768195	958719668	/nfs/dbraw/zinc/71/96/68/958719668.db2.gz	NUZNZCQSICTHRL-ATZDWAIDSA-N	1	0	357.454	1.548	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3cccc(CC)n3)C[C@H]2C)C1=O	ZINC001093827954	958913540	/nfs/dbraw/zinc/91/35/40/958913540.db2.gz	MPZVUCHKBMNPEL-NUJGCVRESA-N	1	0	370.497	1.729	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ncc(C)s2)[C@H](C)C1	ZINC001093832867	958925861	/nfs/dbraw/zinc/92/58/61/958925861.db2.gz	DTNWFGJUAWUFFQ-OIISXLGYSA-N	1	0	360.527	1.733	20	30		FDEDRO
CC[C@@]1(C(=O)N2C[C@@H](C[NH2+]Cc3ccccc3C#N)[C@H](C)C2)CCNC1=O	ZINC001093835578	958933467	/nfs/dbraw/zinc/93/34/67/958933467.db2.gz	ANUPGRIAAOPJDL-FQELHTAISA-N	1	0	368.481	1.659	20	30		FDEDRO
CC[C@@]1(C(=O)N2C[C@@H](C[NH2+]Cc3cccc(C#N)c3)[C@H](C)C2)CCNC1=O	ZINC001093835835	958936171	/nfs/dbraw/zinc/93/61/71/958936171.db2.gz	LSRVTTMSJSCDPT-FQELHTAISA-N	1	0	368.481	1.659	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093846260	958966290	/nfs/dbraw/zinc/96/62/90/958966290.db2.gz	GYKGHXUIBBUCQH-ZTFGCOKTSA-N	1	0	354.454	1.411	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3ccc(CC)o3)C[C@H]2C)C1=O	ZINC001093868659	959048994	/nfs/dbraw/zinc/04/89/94/959048994.db2.gz	LWYXXVUWMSEURF-INMHGKMJSA-N	1	0	359.470	1.927	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093869236	959051204	/nfs/dbraw/zinc/05/12/04/959051204.db2.gz	RLQCPPXAEGEIIG-ATZDWAIDSA-N	1	0	368.481	1.611	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)Cc3ccccc3)C[C@H]2C)C1=O	ZINC001093869453	959051325	/nfs/dbraw/zinc/05/13/25/959051325.db2.gz	YRVQCFAOZZSSDS-BHIYHBOVSA-N	1	0	355.482	1.700	20	30		FDEDRO
COc1nccc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)s3)[C@H](C)C2)n1	ZINC001093909692	959171591	/nfs/dbraw/zinc/17/15/91/959171591.db2.gz	AXDDXOOCRSVKQK-CHWSQXEVSA-N	1	0	371.466	1.916	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3cc[nH]c3C3CC3)C[C@H]2C)C1=O	ZINC001093998009	959474512	/nfs/dbraw/zinc/47/45/12/959474512.db2.gz	GDNZNCFSLJEDHR-QGPMSJSTSA-N	1	0	370.497	1.977	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001094048993	959624782	/nfs/dbraw/zinc/62/47/82/959624782.db2.gz	XLEXXNLRVXIPII-CZUORRHYSA-N	1	0	365.437	1.483	20	30		FDEDRO
Cc1ccn(CC(=O)N2C[C@@H](C[NH2+]Cc3ccccc3C#N)[C@H](C)C2)n1	ZINC001094053448	959638771	/nfs/dbraw/zinc/63/87/71/959638771.db2.gz	YEWJEUZYGLTLNB-DNVCBOLYSA-N	1	0	351.454	1.948	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc3nonc3c2)[C@H](C)C1	ZINC001094057781	959651089	/nfs/dbraw/zinc/65/10/89/959651089.db2.gz	XRZZTXXBLVVKRN-ZIGSKRJUSA-N	1	0	370.453	1.998	20	30		FDEDRO
C=CCc1cc(CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc(OC)c1OC	ZINC000636682501	1013192491	/nfs/dbraw/zinc/19/24/91/1013192491.db2.gz	MQYYVVYTCGOSDZ-MRXNPFEDSA-N	1	0	363.458	1.298	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3nc(C)oc3C)[C@H](C)C2)nn1	ZINC001094095460	959772536	/nfs/dbraw/zinc/77/25/36/959772536.db2.gz	RGVWDAMSHZHUGX-IUODEOHRSA-N	1	0	358.446	1.567	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnn(C)n2)[C@H](C)C1	ZINC001094098603	959778666	/nfs/dbraw/zinc/77/86/66/959778666.db2.gz	JALKIENXINTERJ-LMSBXDPUSA-N	1	0	361.490	1.371	20	30		FDEDRO
C=CCc1cc(CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)cc(OC)c1OC	ZINC000636682500	1013192862	/nfs/dbraw/zinc/19/28/62/1013192862.db2.gz	MQYYVVYTCGOSDZ-INIZCTEOSA-N	1	0	363.458	1.298	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001094132567	959856266	/nfs/dbraw/zinc/85/62/66/959856266.db2.gz	LPWHKHZAFLVEQJ-CZUORRHYSA-N	1	0	355.417	1.847	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001094156758	959927224	/nfs/dbraw/zinc/92/72/24/959927224.db2.gz	HAHBXOLKGVDUAT-IUODEOHRSA-N	1	0	356.405	1.242	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C[NH2+]Cc2nonc2C)[C@H](C)C1	ZINC001094159106	959930674	/nfs/dbraw/zinc/93/06/74/959930674.db2.gz	YZGPWXVDVFGQOK-UKRRQHHQSA-N	1	0	371.441	1.836	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)c3csnn3)[C@H](C)C2)cn1	ZINC001094174520	959978682	/nfs/dbraw/zinc/97/86/82/959978682.db2.gz	MJUUJPKVEZDWPB-VNHYZAJKSA-N	1	0	355.467	1.973	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001094221543	960050059	/nfs/dbraw/zinc/05/00/59/960050059.db2.gz	QKMZRMYPKLPQFD-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]Cc2nncn2C)[C@H](C)C1	ZINC001094189861	960076845	/nfs/dbraw/zinc/07/68/45/960076845.db2.gz	QHEHUFSMYLNDBK-CRAIPNDOSA-N	1	0	351.454	1.223	20	30		FDEDRO
COc1c(C(=O)N2C[C@@H](C[NH2+]Cc3cccc(C#N)c3)[C@H](C)C2)cnn1C	ZINC001094191494	960080788	/nfs/dbraw/zinc/08/07/88/960080788.db2.gz	QXMUSCNAIZHYMO-RHSMWYFYSA-N	1	0	367.453	1.798	20	30		FDEDRO
Cc1nonc1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OCC#N)cc2)[C@H](C)C1	ZINC001094255903	960229799	/nfs/dbraw/zinc/22/97/99/960229799.db2.gz	AKPZQJZVULPREJ-CZUORRHYSA-N	1	0	369.425	1.778	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)COC	ZINC001110156067	960317627	/nfs/dbraw/zinc/31/76/27/960317627.db2.gz	QIYXZRLYDNZJEM-KBXIAJHMSA-N	1	0	352.479	1.007	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)N2CCCC2)CC3)c1	ZINC001094387380	960332549	/nfs/dbraw/zinc/33/25/49/960332549.db2.gz	NWULPRZYIPSHCJ-YLJYHZDGSA-N	1	0	369.469	1.483	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)c4cn[nH]n4)CCC[C@@H]23)s1	ZINC001094457214	960549888	/nfs/dbraw/zinc/54/98/88/960549888.db2.gz	XQEOWMOGROQLLX-NVXWUHKLSA-N	1	0	356.455	1.912	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3COCCN3CC3CCC3)CCC[C@@H]12	ZINC001094477970	960651212	/nfs/dbraw/zinc/65/12/12/960651212.db2.gz	NLKXHMHQBQXNMH-QKNQBKEWSA-N	1	0	359.514	1.481	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NC)CC3)cc1	ZINC001094528909	960731683	/nfs/dbraw/zinc/73/16/83/960731683.db2.gz	BJQSDJALJCZPPM-WIYYLYMNSA-N	1	0	369.465	1.419	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccnn3C3CCOCC3)CCC[C@@H]12	ZINC001094532139	960745002	/nfs/dbraw/zinc/74/50/02/960745002.db2.gz	DWNIUTFMCDKMBO-UYAOXDASSA-N	1	0	356.470	1.842	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2ccnn2C)CC3)nc1	ZINC001094560162	960809588	/nfs/dbraw/zinc/80/95/88/960809588.db2.gz	MTAISWIUEFOGEE-TZIWHRDSSA-N	1	0	363.465	1.971	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C(=O)NC)nc3)CCC[C@@H]12	ZINC001094563885	960824729	/nfs/dbraw/zinc/82/47/29/960824729.db2.gz	RUYPYHPLMVGFOI-YLJYHZDGSA-N	1	0	354.454	1.439	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)c3cn(C)c(=O)[nH]c3=O)CCC[C@@H]12	ZINC001094576046	960858196	/nfs/dbraw/zinc/85/81/96/960858196.db2.gz	OPZKVAATZIGYGZ-CXAGYDPISA-N	1	0	366.849	1.213	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4c(c3)nc[nH]c4=O)CCC[C@@H]12	ZINC001094575721	960859417	/nfs/dbraw/zinc/85/94/17/960859417.db2.gz	BVEANRZVAYGJBV-YLJYHZDGSA-N	1	0	350.422	1.943	20	30		FDEDRO
C=C(C)CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2=O)C1	ZINC001094762064	961119859	/nfs/dbraw/zinc/11/98/59/961119859.db2.gz	XAGBNIQTPLPXBH-JHDROBOHSA-N	1	0	361.486	1.169	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)CC1	ZINC000817534618	961148875	/nfs/dbraw/zinc/14/88/75/961148875.db2.gz	ZEXXGPMZSDLNPB-AWEZNQCLSA-N	1	0	369.462	1.209	20	30		FDEDRO
C[C@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1C[C@]1(C)c1ccccc1	ZINC001171849023	961323313	/nfs/dbraw/zinc/32/33/13/961323313.db2.gz	AORRLKMAXVDEPG-PLMTUMEDSA-N	1	0	370.497	1.869	20	30		FDEDRO
C#Cc1cccc(NC(=O)NC(=O)CN2CCC=C(c3cnn(C)c3)C2)c1	ZINC001171868012	961336502	/nfs/dbraw/zinc/33/65/02/961336502.db2.gz	VAGSTUGBFPYSNW-UHFFFAOYSA-N	1	0	363.421	1.839	20	30		FDEDRO
CCOC(=O)C1(C)CCC([NH+]2CCN(c3nccnc3C#N)CC2)CC1	ZINC001171956082	961360148	/nfs/dbraw/zinc/36/01/48/961360148.db2.gz	LCORPBLPVRTPKH-UHFFFAOYSA-N	1	0	357.458	1.982	20	30		FDEDRO
C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](C1C[C@@H]3COC[C@H](C1)N3C)C2	ZINC001172136625	961478440	/nfs/dbraw/zinc/47/84/40/961478440.db2.gz	FLADYAGMJDXQAH-OLPBJYBYSA-N	1	0	350.503	1.922	20	30		FDEDRO
C#CCNC(=O)c1ccc(N2CCN(c3cc[nH+]cc3OC)CC2)nc1	ZINC000795288352	1013267222	/nfs/dbraw/zinc/26/72/22/1013267222.db2.gz	SMUAYLMKCSYCBE-UHFFFAOYSA-N	1	0	351.410	1.175	20	30		FDEDRO
COCCC[NH+]1CCC(N[C@@H](Cc2ccc(C#N)cc2)C(=O)OC)CC1	ZINC001172251002	961599487	/nfs/dbraw/zinc/59/94/87/961599487.db2.gz	XKZKNNIJMYFOLW-IBGZPJMESA-N	1	0	359.470	1.733	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@@H]2COC[C@H](C(=O)N3CCCO3)[C@@H]2C1	ZINC001172309241	961618076	/nfs/dbraw/zinc/61/80/76/961618076.db2.gz	RULTYVLMWGACTJ-XLNTUCKNSA-N	1	0	369.465	1.848	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(Br)n(C)n2)c1C#N	ZINC001182253137	961659202	/nfs/dbraw/zinc/65/92/02/961659202.db2.gz	SQIYUSXZEBOEIJ-UHFFFAOYSA-N	1	0	366.223	1.182	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCN(c3ccncn3)C2)C[C@H]1C#N	ZINC001172973282	961857941	/nfs/dbraw/zinc/85/79/41/961857941.db2.gz	FQNDQDYUBLWFRY-XHSDSOJGSA-N	1	0	372.473	1.937	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCC[C@]3(CCNC3=O)C2)C[C@H]1C#N	ZINC001172990636	961859885	/nfs/dbraw/zinc/85/98/85/961859885.db2.gz	WVPUENFNHMCFIY-DOXZYTNZSA-N	1	0	362.474	1.880	20	30		FDEDRO
COC(=O)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1	ZINC001172977154	961860079	/nfs/dbraw/zinc/86/00/79/961860079.db2.gz	DNWBXHWJZMMBKN-XQLPTFJDSA-N	1	0	367.446	1.446	20	30		FDEDRO
C[C@@H]1COCCN1CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1	ZINC001172981289	961864504	/nfs/dbraw/zinc/86/45/04/961864504.db2.gz	LOCYSAQGXPNODE-OAGGEKHMSA-N	1	0	352.479	1.588	20	30		FDEDRO
CSCC[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C(N)=O	ZINC001172981954	961867234	/nfs/dbraw/zinc/86/72/34/961867234.db2.gz	QRERLMNSUZIKME-AVGNSLFASA-N	1	0	356.492	1.475	20	30		FDEDRO
COC(=O)[C@H](CS)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2C)C1	ZINC001182341848	961868315	/nfs/dbraw/zinc/86/83/15/961868315.db2.gz	AYORBSMAALPEKU-CVEARBPZSA-N	1	0	350.484	1.795	20	30		FDEDRO
C[N@H+](C1CN([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1)[C@H]1CCOC1	ZINC001172989681	961870175	/nfs/dbraw/zinc/87/01/75/961870175.db2.gz	JMXPPMHZOWYUKB-PMPSAXMXSA-N	1	0	364.490	1.683	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CC2CC(NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)cc1	ZINC000962118119	1013300073	/nfs/dbraw/zinc/30/00/73/1013300073.db2.gz	RJRIRFIQHWMING-KPZODNFCSA-N	1	0	369.465	1.594	20	30		FDEDRO
C=CCOC1CCC(N([C@H]2CC[NH2+]C2)S(=O)(=O)c2ccccn2)CC1	ZINC001173322775	962004743	/nfs/dbraw/zinc/00/47/43/962004743.db2.gz	LUEWMENLHYAIDJ-CGZBRXJRSA-N	1	0	365.499	1.948	20	30		FDEDRO
Cn1cc(C(=O)N[C@@H]2C[N@@H+](C3CCC(CC#N)CC3)[C@@H]3CCCO[C@H]23)cn1	ZINC001173335642	962007617	/nfs/dbraw/zinc/00/76/17/962007617.db2.gz	TYCMROXWWJSXKA-HNXPUMLJSA-N	1	0	371.485	1.854	20	30		FDEDRO
Cn1cccc1C(=O)N[C@@H]1C[N@@H+](C2CCC(CC#N)CC2)[C@@H]2COC[C@H]12	ZINC001173335720	962009102	/nfs/dbraw/zinc/00/91/02/962009102.db2.gz	WBYPBDVDZALJBS-KUHUBOKPSA-N	1	0	356.470	1.927	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+]CCCN3CCCC3=O)CC2)cc1	ZINC001173420866	962093114	/nfs/dbraw/zinc/09/31/14/962093114.db2.gz	HMSFQJFHKODRBM-UHFFFAOYSA-N	1	0	354.454	1.765	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+][C@]3(CN)CN4CCC3CC4)CC2)cc1	ZINC001173424577	962127703	/nfs/dbraw/zinc/12/77/03/962127703.db2.gz	ITXFQUUJBMSDHI-OAQYLSRUSA-N	1	0	367.497	1.176	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+]Cc3cncc(C(N)=O)c3)CC2)cc1	ZINC001173427596	962139361	/nfs/dbraw/zinc/13/93/61/962139361.db2.gz	ANTQMHBIPVKOPK-UHFFFAOYSA-N	1	0	363.421	1.447	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([N@@H+]3CC[C@@]4(CCNC4=O)C3)CC2)cc1	ZINC001173430756	962148453	/nfs/dbraw/zinc/14/84/53/962148453.db2.gz	YNSAXDVBSLVLBO-FQEVSTJZSA-N	1	0	352.438	1.375	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2ccco2)C[C@H]1C	ZINC001182685162	962432676	/nfs/dbraw/zinc/43/26/76/962432676.db2.gz	RKTMONYXHZBRMW-AXHMDWHKSA-N	1	0	357.454	1.207	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)N(C)CC)C1	ZINC001182685078	962432926	/nfs/dbraw/zinc/43/29/26/962432926.db2.gz	PIHZXQARGFCCPR-OAFZBRQQSA-N	1	0	351.491	1.130	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]([C@@H](C)O)N(C)C(=O)OC(C)(C)C	ZINC001182961400	962694349	/nfs/dbraw/zinc/69/43/49/962694349.db2.gz	JLDBCJNLWYXDMT-ILXRZTDVSA-N	1	0	355.479	1.369	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CCN(Cc2c[nH]c3ncccc23)CC1	ZINC001183045022	962757944	/nfs/dbraw/zinc/75/79/44/962757944.db2.gz	QQWCZZRKBPSTEX-UHFFFAOYSA-N	1	0	353.470	1.859	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1	ZINC001183044539	962758189	/nfs/dbraw/zinc/75/81/89/962758189.db2.gz	JNKGTRRMBHEPNC-HNNXBMFYSA-N	1	0	353.463	1.391	20	30		FDEDRO
C=C[C@@H](CO)NC(=O)C1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC001183157779	962890280	/nfs/dbraw/zinc/89/02/80/962890280.db2.gz	BGCBKIJPJYVRGO-HOTGVXAUSA-N	1	0	367.490	1.371	20	30		FDEDRO
C[NH+]1CCN(c2ccc(Nc3c(C#N)cnc4c(C#N)cnn43)cc2)CC1	ZINC001174817039	962946501	/nfs/dbraw/zinc/94/65/01/962946501.db2.gz	ZDTTXYRQGZZUGU-UHFFFAOYSA-N	1	0	358.409	1.968	20	30		FDEDRO
C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C(N)=O)cc1	ZINC001110177680	963011878	/nfs/dbraw/zinc/01/18/78/963011878.db2.gz	BXJBARUZDHRPNL-SQNIBIBYSA-N	1	0	357.454	1.600	20	30		FDEDRO
N#Cc1cnn2c1ncc(C#N)c2NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC001183563953	963118510	/nfs/dbraw/zinc/11/85/10/963118510.db2.gz	BLDSPJFGVUYIAD-OAHLLOKOSA-N	1	0	371.404	1.933	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCn1nc(C)nc1C	ZINC001175364592	963167228	/nfs/dbraw/zinc/16/72/28/963167228.db2.gz	BGPUXGMZCMKMRW-OLMNPRSZSA-N	1	0	363.506	1.751	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1nnnn1C1CC1	ZINC001175364628	963169774	/nfs/dbraw/zinc/16/97/74/963169774.db2.gz	BOEUITGXEAIOPH-IMJJTQAJSA-N	1	0	362.478	1.364	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCOCCO	ZINC001175629783	963242548	/nfs/dbraw/zinc/24/25/48/963242548.db2.gz	LILPFBLVAXSGJQ-BZSNNMDCSA-N	1	0	356.507	1.631	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CCOCCOC	ZINC001175664397	963260896	/nfs/dbraw/zinc/26/08/96/963260896.db2.gz	UWKZZXLRGYMQER-SQNIBIBYSA-N	1	0	356.507	1.895	20	30		FDEDRO
C[NH+](C)CCCOc1ccc(Nc2cc(=O)[nH]c3c(C#N)cnn32)cn1	ZINC001176353926	963429575	/nfs/dbraw/zinc/42/95/75/963429575.db2.gz	HDFNHJMEAKYHAX-UHFFFAOYSA-N	1	0	353.386	1.776	20	30		FDEDRO
N#Cc1cnn2c1[nH]c(=O)cc2Nc1ccc(CC[NH+]2CCOCC2)cc1	ZINC001176379148	963440493	/nfs/dbraw/zinc/44/04/93/963440493.db2.gz	POEMUDZXSYRRRE-UHFFFAOYSA-N	1	0	364.409	1.925	20	30		FDEDRO
C=C(CC(=O)OCCCC)C(=O)N(c1ccc(C[NH3+])cc1)S(C)(=O)=O	ZINC001184312022	963531735	/nfs/dbraw/zinc/53/17/35/963531735.db2.gz	KDJYUHFXLJPCMT-UHFFFAOYSA-N	1	0	368.455	1.728	20	30		FDEDRO
CO/N=C(\C(=O)N1CCc2c(C[N@H+](C)C(C)C)[nH]nc2C1)c1ccco1	ZINC001177350373	963794656	/nfs/dbraw/zinc/79/46/56/963794656.db2.gz	AMGCFBFJAGMEJX-FXBPSFAMSA-N	1	0	359.430	1.778	20	30		FDEDRO
COc1ccccc1C[N@@H+]1CC[C@H](NC(=O)Cc2ccnc(C#N)c2)C1	ZINC001177675465	963923319	/nfs/dbraw/zinc/92/33/19/963923319.db2.gz	ZGFBHCPGENUQPS-KRWDZBQOSA-N	1	0	350.422	1.895	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(C)(C)F)C1	ZINC001111562395	964191431	/nfs/dbraw/zinc/19/14/31/964191431.db2.gz	AWMKYIRCMRINPG-KXBFYZLASA-N	1	0	351.466	1.906	20	30		FDEDRO
C#CCC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)nn1	ZINC001186007995	964251272	/nfs/dbraw/zinc/25/12/72/964251272.db2.gz	MUVUHFLPDDGUGX-TVFCKZIOSA-N	1	0	357.458	1.122	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1CCCO[C@H]1C=C	ZINC001178509173	964262881	/nfs/dbraw/zinc/26/28/81/964262881.db2.gz	HREFDBFUWASUQG-SJORKVTESA-N	1	0	351.491	1.536	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC001178586050	964296213	/nfs/dbraw/zinc/29/62/13/964296213.db2.gz	GYTKKUOJCMEXLZ-LSDHHAIUSA-N	1	0	353.463	1.389	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CC(=O)NC)C1	ZINC001186190275	964341691	/nfs/dbraw/zinc/34/16/91/964341691.db2.gz	ZXUPIZCMCCALNK-SJLPKXTDSA-N	1	0	359.445	1.507	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)[C@H]1C	ZINC001178724997	964361097	/nfs/dbraw/zinc/36/10/97/964361097.db2.gz	CQOWHNURCFXXGP-UUXHPUJUSA-N	1	0	367.493	1.755	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O	ZINC001178750447	964425934	/nfs/dbraw/zinc/42/59/34/964425934.db2.gz	SMLGRXUNWNSZFP-HRCADAONSA-N	1	0	367.490	1.371	20	30		FDEDRO
C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)CC12CCOCC2	ZINC001186425743	964503921	/nfs/dbraw/zinc/50/39/21/964503921.db2.gz	XAPIUQSMRBSCJH-GBESFXJTSA-N	1	0	360.498	1.527	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cc1	ZINC000957567131	1013502388	/nfs/dbraw/zinc/50/23/88/1013502388.db2.gz	IZYOJGNLDNIGDJ-SZVBFZGTSA-N	1	0	353.466	1.586	20	30		FDEDRO
C#C[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1	ZINC001179156387	964752397	/nfs/dbraw/zinc/75/23/97/964752397.db2.gz	PBMSGEQEUODJDW-HUUCEWRRSA-N	1	0	365.474	1.225	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N[C@@H](C)CCC(C)C	ZINC001110384896	964781816	/nfs/dbraw/zinc/78/18/16/964781816.db2.gz	CIRGZOPYQFFRQY-MLHJIOFPSA-N	1	0	365.518	1.851	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+]CC(=O)N(CC)CC	ZINC001179633848	964940990	/nfs/dbraw/zinc/94/09/90/964940990.db2.gz	JZNIISTWIOSWOW-SJORKVTESA-N	1	0	353.507	1.712	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+][C@@H]1CCN(C(C)C)C1=O	ZINC001179637869	964941613	/nfs/dbraw/zinc/94/16/13/964941613.db2.gz	BBLCOZAEUJHBDX-KURKYZTESA-N	1	0	365.518	1.853	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCCCCC[NH2+]CCOCCO	ZINC001179781180	964975848	/nfs/dbraw/zinc/97/58/48/964975848.db2.gz	NFYMKKZQUXYWFM-ROUUACIJSA-N	1	0	356.507	1.633	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCCCC[NH2+][C@@H](C)c1nnnn1C	ZINC001179797126	964993014	/nfs/dbraw/zinc/99/30/14/964993014.db2.gz	NKONPIACUZBHLZ-JYJNAYRXSA-N	1	0	364.494	1.519	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCCCC[NH2+][C@H]1CCC(=O)NC1=O	ZINC001179797215	964993385	/nfs/dbraw/zinc/99/33/85/964993385.db2.gz	RCXBUUKNGKMGJX-ZOBUZTSGSA-N	1	0	365.474	1.039	20	30		FDEDRO
COCC#CC(=O)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2	ZINC001187125338	965029997	/nfs/dbraw/zinc/02/99/97/965029997.db2.gz	ITYFZRVOYAWYHY-UHFFFAOYSA-N	1	0	365.437	1.016	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H](C[NH3+])C(=O)OCC1c2ccccc2-c2ccccc21	ZINC001179902353	965041575	/nfs/dbraw/zinc/04/15/75/965041575.db2.gz	JPGSCBQMQJQLLO-BFUOFWGJSA-N	1	0	363.417	1.945	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](CCCc3nc(C)no3)C[C@H]21	ZINC001187226180	965101915	/nfs/dbraw/zinc/10/19/15/965101915.db2.gz	PNUHLNZGLSBPMH-BHYGNILZSA-N	1	0	362.474	1.825	20	30		FDEDRO
C=CCCC(=O)N1CC[C@H]2C[N@@H+](CCCN3C(=O)NC(C)(C)C3=O)C[C@H]21	ZINC001187208650	965131311	/nfs/dbraw/zinc/13/13/11/965131311.db2.gz	HTYPIWRFKXBYFV-LSDHHAIUSA-N	1	0	362.474	1.206	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)CCc3ccccc3)C[C@H]21	ZINC001187320077	965241572	/nfs/dbraw/zinc/24/15/72/965241572.db2.gz	JFTAODJLSMPWIV-XUVXKRRUSA-N	1	0	358.482	1.715	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)N(CC)CC)C[C@H]21	ZINC001187473178	965386608	/nfs/dbraw/zinc/38/66/08/965386608.db2.gz	VFTBIJBDAXINTJ-OKZBNKHCSA-N	1	0	365.518	1.759	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CC[C@H]2CN(CC(=O)NCC(C)(C)C)C[C@H]21	ZINC001187764029	965730696	/nfs/dbraw/zinc/73/06/96/965730696.db2.gz	XDVFOLMAKLTNPT-KHYOSLBOSA-N	1	0	351.491	1.009	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)c3ccccc3F)C[C@H]21	ZINC001187858218	965799076	/nfs/dbraw/zinc/79/90/76/965799076.db2.gz	ZYUYLDWPDNDQDI-KFKAGJAMSA-N	1	0	360.429	1.432	20	30		FDEDRO
CC(C)C#CC(=O)N1CC[C@H]2C[N@H+](C[C@H](O)COCc3ccccc3)C[C@H]21	ZINC001187827446	965817906	/nfs/dbraw/zinc/81/79/06/965817906.db2.gz	IYRNVCWVKNHBEX-PCCBWWKXSA-N	1	0	370.493	1.756	20	30		FDEDRO
C=CCCOCCCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]21	ZINC001187904469	965848486	/nfs/dbraw/zinc/84/84/86/965848486.db2.gz	SQBWCTJVZAVPLB-YESZJQIVSA-N	1	0	351.491	1.546	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc4c(c3)nnn4C)C[C@H]21	ZINC001187882018	965880537	/nfs/dbraw/zinc/88/05/37/965880537.db2.gz	JHUBEKCIZUGTAF-SIXWZSSISA-N	1	0	367.453	1.039	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cn4c(n3)CCCC4)[C@@H]2C1	ZINC001187978818	965937760	/nfs/dbraw/zinc/93/77/60/965937760.db2.gz	OBJSJOWXXLIYQN-FUHWJXTLSA-N	1	0	358.486	1.497	20	30		FDEDRO
C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)Cc3c(C)cccc3C)[C@@H]2C1	ZINC001188063348	965986716	/nfs/dbraw/zinc/98/67/16/965986716.db2.gz	JFBUEXIXUBSANE-PKOBYXMFSA-N	1	0	353.466	1.128	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c(C)cccc3C)[C@@H]2C1	ZINC001188064060	965988085	/nfs/dbraw/zinc/98/80/85/965988085.db2.gz	YVGKRXMUZFGQKD-CMKODMSKSA-N	1	0	367.493	1.517	20	30		FDEDRO
C=C(C)CCC(=O)N1CC[C@H]2C[N@H+](C[C@H](O)COC3CCOCC3)C[C@H]21	ZINC001188086916	965999278	/nfs/dbraw/zinc/99/92/78/965999278.db2.gz	GLNGLYQYWYZRGT-JENIJYKNSA-N	1	0	366.502	1.432	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCN2C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC000964478338	1013627133	/nfs/dbraw/zinc/62/71/33/1013627133.db2.gz	YURKZYWOKHBIKQ-FVQBIDKESA-N	1	0	357.458	1.337	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)COC/C=C/c3ccccc3)[C@@H]2C1	ZINC001188328892	966205007	/nfs/dbraw/zinc/20/50/07/966205007.db2.gz	CCTHKOQOWXKDGA-KXDZFCSZSA-N	1	0	368.477	1.899	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(C)c4ccccc34)[C@@H]2C1	ZINC001188470597	966341648	/nfs/dbraw/zinc/34/16/48/966341648.db2.gz	OBOARBWBFCHPPY-OXJNMPFZSA-N	1	0	351.450	1.974	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(C)cc3)[C@@H]2C1	ZINC001188476911	966348272	/nfs/dbraw/zinc/34/82/72/966348272.db2.gz	VFFDJNJVPCFWBC-YTQUADARSA-N	1	0	355.482	1.761	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccnc4[nH]c(CC)nc43)[C@@H]2C1	ZINC001188642443	966488214	/nfs/dbraw/zinc/48/82/14/966488214.db2.gz	GMRSHMNSKJZCNT-GOEBONIOSA-N	1	0	369.469	1.869	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cnc4onc(C)c4c3)[C@@H]2C1	ZINC001188731145	966542160	/nfs/dbraw/zinc/54/21/60/966542160.db2.gz	JLOOGIVZZIFODW-WMLDXEAASA-N	1	0	356.426	1.880	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]32)cc1	ZINC001188744952	966553694	/nfs/dbraw/zinc/55/36/94/966553694.db2.gz	WLIWDMPUUHLTJN-PWRODBHTSA-N	1	0	370.493	1.848	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]21	ZINC001188886285	966638032	/nfs/dbraw/zinc/63/80/32/966638032.db2.gz	WCBQQRWPGBMUDC-YESZJQIVSA-N	1	0	371.547	1.403	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)N(C)CC(F)(F)F)[C@@H]2C1	ZINC001188931946	966652841	/nfs/dbraw/zinc/65/28/41/966652841.db2.gz	LUVXRSBJSOGHNS-SOUVJXGZSA-N	1	0	363.424	1.604	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCCS(N)(=O)=O)[C@@H]2C1	ZINC001188991876	966689242	/nfs/dbraw/zinc/68/92/42/966689242.db2.gz	KHQHTJQKOXDLAP-JKSUJKDBSA-N	1	0	359.536	1.558	20	30		FDEDRO
C=CCCCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(c4ccn(C)n4)C3=O)C[C@H]21	ZINC001189007672	966698022	/nfs/dbraw/zinc/69/80/22/966698022.db2.gz	YHLXDUORVCTVME-YESZJQIVSA-N	1	0	371.485	1.414	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cccnc3C)[C@@H]2C1	ZINC001189118148	966747504	/nfs/dbraw/zinc/74/75/04/966747504.db2.gz	RDPNSYUSRLIIED-BPQIPLTHSA-N	1	0	356.470	1.156	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3noc4ccc(F)cc34)[C@@H]2C1	ZINC001189391074	966936084	/nfs/dbraw/zinc/93/60/84/966936084.db2.gz	QJUAWABACSMEJH-KBXCAEBGSA-N	1	0	371.412	1.692	20	30		FDEDRO
N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cccc4ccncc43)[C@@H]2C1	ZINC001189604813	967072293	/nfs/dbraw/zinc/07/22/93/967072293.db2.gz	FOUNMAOPWLMCLL-MAUKXSAKSA-N	1	0	363.421	1.021	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3csc(COC)n3)[C@@H]2C1	ZINC001189682777	967152968	/nfs/dbraw/zinc/15/29/68/967152968.db2.gz	FJGLQMZFJFURQW-GOEBONIOSA-N	1	0	365.499	1.567	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2CCC[C@@](C#N)(c3ccccn3)C2)CC1	ZINC000852326629	967224517	/nfs/dbraw/zinc/22/45/17/967224517.db2.gz	OXAVFXSGHBZSIR-FQEVSTJZSA-N	1	0	355.486	1.539	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc4ccccc4n3)[C@@H]2C1	ZINC001189829154	967288583	/nfs/dbraw/zinc/28/85/83/967288583.db2.gz	KSQBOGOJKNMPLS-PKOBYXMFSA-N	1	0	352.438	1.219	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)COc3cc(F)ccc3F)[C@@H]2C1	ZINC001189879357	967330652	/nfs/dbraw/zinc/33/06/52/967330652.db2.gz	BJHPRXWXTBZZGO-WMLDXEAASA-N	1	0	364.392	1.526	20	30		FDEDRO
N#CCCNC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1	ZINC000852475044	967359087	/nfs/dbraw/zinc/35/90/87/967359087.db2.gz	XTDREWGSWBKYKE-ZIAGYGMSSA-N	1	0	374.407	1.672	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(OC)cc3)[C@@H]2C1	ZINC001189930755	967379963	/nfs/dbraw/zinc/37/99/63/967379963.db2.gz	BUSNKZWVNOZPIX-HHXXYDBFSA-N	1	0	371.481	1.461	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC[C@@H]2CCOC2)CCOCC1	ZINC001110651349	967419862	/nfs/dbraw/zinc/41/98/62/967419862.db2.gz	ZYQQGYMOQPDHKT-MKXGPGLRSA-N	1	0	360.498	1.955	20	30		FDEDRO
N#Cc1cccc(C2([NH2+]C[C@](O)(C(N)=O)c3ccccc3)CCOCC2)c1	ZINC000852563912	967428381	/nfs/dbraw/zinc/42/83/81/967428381.db2.gz	VRXGVLBLOHAOFN-OAQYLSRUSA-N	1	0	365.433	1.527	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@@H+]([C@@H](CCCC)C(N)=O)C[C@H]21	ZINC001189941709	967442449	/nfs/dbraw/zinc/44/24/49/967442449.db2.gz	BPRLYHWWBUZBOA-SLFFLAALSA-N	1	0	367.493	1.787	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C(C)=O)CCO3)[C@@H]2C1	ZINC001189986791	967479133	/nfs/dbraw/zinc/47/91/33/967479133.db2.gz	QBHGRUYLVUMRKS-IPMKNSEASA-N	1	0	365.518	1.737	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C(C)=O)CCO3)[C@@H]2C1	ZINC001189986793	967479924	/nfs/dbraw/zinc/47/99/24/967479924.db2.gz	QBHGRUYLVUMRKS-OTWHNJEPSA-N	1	0	365.518	1.737	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3ccc(OC)cc3)[C@@H]2C1	ZINC001190059598	967523875	/nfs/dbraw/zinc/52/38/75/967523875.db2.gz	WJMBAOVOJDQZOJ-AZUAARDMSA-N	1	0	356.466	1.810	20	30		FDEDRO
COCC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1	ZINC001190229876	967644571	/nfs/dbraw/zinc/64/45/71/967644571.db2.gz	PLHKSOASCLPIQJ-OTWHNJEPSA-N	1	0	357.454	1.342	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCn2ccnn2)C3)cc1	ZINC001110657703	967674407	/nfs/dbraw/zinc/67/44/07/967674407.db2.gz	UHGWCYVAUKPPKM-QRVBRYPASA-N	1	0	364.453	1.852	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(CNC(C)=O)c3)[C@@H]2C1	ZINC001190240541	967688270	/nfs/dbraw/zinc/68/82/70/967688270.db2.gz	JIYHVEPDXVWXCY-VQTJNVASSA-N	1	0	371.481	1.672	20	30		FDEDRO
CCOC(=O)c1csc([C@H]2CCCN2C(=O)C#CC2CC[NH2+]CC2)n1	ZINC000852889675	967692386	/nfs/dbraw/zinc/69/23/86/967692386.db2.gz	JEOGCJKAMAFUMT-OAHLLOKOSA-N	1	0	361.467	1.986	20	30		FDEDRO
CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)C[NH2+]C	ZINC000852920159	967710194	/nfs/dbraw/zinc/71/01/94/967710194.db2.gz	MOGSYOCBJMKOPI-JSGCOSHPSA-N	1	0	366.487	1.008	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC[C@@H]1CCCO1	ZINC001110424953	967743704	/nfs/dbraw/zinc/74/37/04/967743704.db2.gz	BAVFYPPQHZRMQR-HCXYKTFWSA-N	1	0	366.502	1.886	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3ccc(C)o3)[C@@H]2C1	ZINC001190324253	967752022	/nfs/dbraw/zinc/75/20/22/967752022.db2.gz	JKKPWMISYUCUHW-SOLBZPMBSA-N	1	0	359.470	1.744	20	30		FDEDRO
C#C[C@@H](NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1)C1CCOCC1	ZINC000853232360	967933782	/nfs/dbraw/zinc/93/37/82/967933782.db2.gz	AHXOTIPFAPCQCE-WOJBJXKFSA-N	1	0	371.481	1.615	20	30		FDEDRO
C#Cc1cccnc1N1CCN(CCNC(=O)c2ccccc2F)CC1	ZINC000853301559	967963225	/nfs/dbraw/zinc/96/32/25/967963225.db2.gz	HPFRAKASBYOWBP-UHFFFAOYSA-N	1	0	352.413	1.754	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1	ZINC001190589961	967971360	/nfs/dbraw/zinc/97/13/60/967971360.db2.gz	NHUVPVBSHDPCFV-MSOLQXFVSA-N	1	0	363.421	1.464	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]cnc1C(F)(F)F)C2	ZINC001110668145	967993070	/nfs/dbraw/zinc/99/30/70/967993070.db2.gz	YXPZDRAUYOAXGA-UTUOFQBUSA-N	1	0	358.364	1.966	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)OCC(=O)N3)C2	ZINC001110668032	967993165	/nfs/dbraw/zinc/99/31/65/967993165.db2.gz	UCHCWDWBWRQFPB-OIISXLGYSA-N	1	0	371.437	1.555	20	30		FDEDRO
C=CC[C@H]1CCC[N@@H+](CN2C(=O)N[C@](C)(CCC(=O)OCC)C2=O)C1	ZINC000853537114	968092251	/nfs/dbraw/zinc/09/22/51/968092251.db2.gz	PGJANRQTSGJWND-KBXCAEBGSA-N	1	0	351.447	1.886	20	30		FDEDRO
C#CCN(CC(=O)OC(C)(C)C)C(=O)NC1CC[NH+](CCCOC)CC1	ZINC000853646718	968221240	/nfs/dbraw/zinc/22/12/40/968221240.db2.gz	XPWQUPLCSHXDSJ-UHFFFAOYSA-N	1	0	367.490	1.474	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)/C=C(/C)C2CC2)C1	ZINC001191402060	968470904	/nfs/dbraw/zinc/47/09/04/968470904.db2.gz	YYPJOMGFCQMPFB-RLRQVVRFSA-N	1	0	363.502	1.317	20	30		FDEDRO
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC000854057069	968563419	/nfs/dbraw/zinc/56/34/19/968563419.db2.gz	CPTJLQDEXRLPIN-AZUAARDMSA-N	1	0	355.482	1.862	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)c2cn[nH]c(=O)c2)[C@H]2CC[C@H]([NH3+])CC2)cc1	ZINC001191581994	968592455	/nfs/dbraw/zinc/59/24/55/968592455.db2.gz	YLROCVAQWNLTKU-QAQDUYKDSA-N	1	0	351.410	1.966	20	30		FDEDRO
C#CCNC(=O)CC[NH+]1CCC(c2nccc(-c3cnn(C)c3)n2)CC1	ZINC000854103528	968597333	/nfs/dbraw/zinc/59/73/33/968597333.db2.gz	ITFWDJHWHJTQIW-UHFFFAOYSA-N	1	0	352.442	1.196	20	30		FDEDRO
N#Cc1cc(C(=O)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)ccn1	ZINC001191548878	968605279	/nfs/dbraw/zinc/60/52/79/968605279.db2.gz	NPMXCKTYHFXMMX-UHFFFAOYSA-N	1	0	350.426	1.444	20	30		FDEDRO
C#CCN(CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C(=O)OC(C)(C)C	ZINC000854306390	968758143	/nfs/dbraw/zinc/75/81/43/968758143.db2.gz	GLMZTESRFMYZNW-INIZCTEOSA-N	1	0	367.490	1.330	20	30		FDEDRO
C#CCCCC(=O)N(C)CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O	ZINC000854471051	968920930	/nfs/dbraw/zinc/92/09/30/968920930.db2.gz	SUKDKHXZUADZQO-UHFFFAOYSA-N	1	0	355.438	1.476	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCC(F)(F)C2)C[C@H]1O	ZINC001192053605	968930355	/nfs/dbraw/zinc/93/03/55/968930355.db2.gz	BIWSRAKCQNAVSB-ARFHVFGLSA-N	1	0	360.445	1.956	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1O	ZINC001192320155	969061188	/nfs/dbraw/zinc/06/11/88/969061188.db2.gz	BLFAGLKGDRGBJR-WOJBJXKFSA-N	1	0	366.465	1.727	20	30		FDEDRO
CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001192788903	969292645	/nfs/dbraw/zinc/29/26/45/969292645.db2.gz	QIPDMCQZCWGAGY-JENIJYKNSA-N	1	0	354.454	1.157	20	30		FDEDRO
Cc1ccccc1OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1	ZINC001192751710	969296877	/nfs/dbraw/zinc/29/68/77/969296877.db2.gz	HOSIEHPFMDMISV-QZTJIDSGSA-N	1	0	358.482	1.975	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1C[N@@H+](C[C@H]2[C@H](c3ccccc3)C2(F)F)C[C@H]1O	ZINC001192826150	969318622	/nfs/dbraw/zinc/31/86/22/969318622.db2.gz	CFMCZNDKCMVVMS-FAJBIJEISA-N	1	0	360.404	1.610	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C3CCC3)cc2)C[C@H]1O	ZINC001192885648	969348348	/nfs/dbraw/zinc/34/83/48/969348348.db2.gz	BZJQMJXEZQINGK-WOJBJXKFSA-N	1	0	356.466	1.655	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](CCc2ccc(Cl)cc2)C[C@H]1O	ZINC001192891889	969351301	/nfs/dbraw/zinc/35/13/01/969351301.db2.gz	RJJLQQVOEKPFCM-IAGOWNOFSA-N	1	0	350.846	1.084	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](CCCc2ccc(Cl)cc2)C[C@H]1O	ZINC001192879156	969366839	/nfs/dbraw/zinc/36/68/39/969366839.db2.gz	UBQPWCIIIRTFLY-QZTJIDSGSA-N	1	0	364.873	1.474	20	30		FDEDRO
N#Cc1ccncc1C(=O)N1CCC([NH3+])(C(=O)NCc2ccccc2)CC1	ZINC001192981723	969390669	/nfs/dbraw/zinc/39/06/69/969390669.db2.gz	VJJCBZJMNNBFBN-UHFFFAOYSA-N	1	0	363.421	1.203	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1	ZINC001193118237	969482573	/nfs/dbraw/zinc/48/25/73/969482573.db2.gz	MKUVLXMRCVRKIU-OAHLLOKOSA-N	1	0	362.499	2.000	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1CN([C@H](C)C(=O)NCC(C)C)C[C@H]1O	ZINC001193240983	969569682	/nfs/dbraw/zinc/56/96/82/969569682.db2.gz	OWASBOQYMQUZDO-DJIMGWMZSA-N	1	0	351.491	1.077	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Br)n[nH]2)C1	ZINC001193407595	969659193	/nfs/dbraw/zinc/65/91/93/969659193.db2.gz	JWVMTPABFAWTFB-CHWSQXEVSA-N	1	0	371.279	1.694	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)nn1	ZINC000644690365	1013903220	/nfs/dbraw/zinc/90/32/20/1013903220.db2.gz	UPFNLAQHVQFJLG-UHFFFAOYSA-N	1	0	360.506	1.485	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCOc2c(C)cccc2C)C1	ZINC001193527887	969736723	/nfs/dbraw/zinc/73/67/23/969736723.db2.gz	MBYLHCIOCXKSFK-QZTJIDSGSA-N	1	0	362.470	1.436	20	30		FDEDRO
CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)c2cccc(C#N)c2[O-])CC1	ZINC001193644222	969783582	/nfs/dbraw/zinc/78/35/82/969783582.db2.gz	SVOVYBVIAHAVHK-UHFFFAOYSA-N	1	0	370.453	1.423	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3ncncc3C2)C1	ZINC001193670642	969802441	/nfs/dbraw/zinc/80/24/41/969802441.db2.gz	NFQQMDULZVMYGG-ATZDWAIDSA-N	1	0	360.502	1.713	20	30		FDEDRO
C[NH+]1CCN(c2cncc(C(=O)N3CCc4cc(C#N)ccc4C3)c2)CC1	ZINC001193939931	969908798	/nfs/dbraw/zinc/90/87/98/969908798.db2.gz	OMLWBCDOYUXFGN-UHFFFAOYSA-N	1	0	361.449	1.904	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CC(F)F)nc2C)C1	ZINC001193970293	969941356	/nfs/dbraw/zinc/94/13/56/969941356.db2.gz	IBXHSYIXNDZWGW-NILFDRSVSA-N	1	0	356.417	1.586	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)[C@H]2C1	ZINC000644734745	1013928489	/nfs/dbraw/zinc/92/84/89/1013928489.db2.gz	UOCCERJFBONBJH-WBVHZDCISA-N	1	0	365.399	1.809	20	30		FDEDRO
COC(=O)[C@@]1(NC(=O)c2cncc(C#N)c2)CC[N@H+](Cc2ccccc2)C1	ZINC001194111582	969997878	/nfs/dbraw/zinc/99/78/78/969997878.db2.gz	AMVODQZKGHBUJD-HXUWFJFHSA-N	1	0	364.405	1.501	20	30		FDEDRO
N#Cc1cncc(C(=O)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1	ZINC001194105330	970020859	/nfs/dbraw/zinc/02/08/59/970020859.db2.gz	QIPWNLNELMEGOT-RTBURBONSA-N	1	0	363.421	1.464	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)nc3ccnn3c2C)C1	ZINC001194281903	970107389	/nfs/dbraw/zinc/10/73/89/970107389.db2.gz	ARUMGUAKBJJOGN-DAXOMENPSA-N	1	0	357.458	1.476	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCOC[C@H]2CCCO2)C1	ZINC001194352636	970120787	/nfs/dbraw/zinc/12/07/87/970120787.db2.gz	SEVBIUUMBKHSKZ-KZNAEPCWSA-N	1	0	356.507	1.704	20	30		FDEDRO
COC[C@@H]1CCC[N@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000112962015	970135104	/nfs/dbraw/zinc/13/51/04/970135104.db2.gz	HIPLVKKHICCMNP-QGZVFWFLSA-N	1	0	356.426	1.638	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c(C)nc[nH]c2=O)C1	ZINC001194399941	970158968	/nfs/dbraw/zinc/15/89/68/970158968.db2.gz	WXKUPQRPXLDAQA-IAGOWNOFSA-N	1	0	362.474	1.331	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c1	ZINC000855166834	970192119	/nfs/dbraw/zinc/19/21/19/970192119.db2.gz	QRWZWHHFZBUJSD-HNNXBMFYSA-N	1	0	363.483	1.201	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CNC(C)=O)cc2)C1	ZINC001194443828	970196870	/nfs/dbraw/zinc/19/68/70/970196870.db2.gz	USXWELVSIJWLDA-GDIGMMSISA-N	1	0	359.470	1.452	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CC#N)C1	ZINC000855256360	970244918	/nfs/dbraw/zinc/24/49/18/970244918.db2.gz	LAALHLJDNQVROL-HUUCEWRRSA-N	1	0	352.479	1.984	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c2cccc3Cl)C1	ZINC001194746044	970353646	/nfs/dbraw/zinc/35/36/46/970353646.db2.gz	RFZLERDWXZJCQL-KBAYOESNSA-N	1	0	364.873	1.734	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1	ZINC000855461249	970393120	/nfs/dbraw/zinc/39/31/20/970393120.db2.gz	OBPNDEGFJJSLQL-INIZCTEOSA-N	1	0	355.438	1.262	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nc(C)nn3C2)C1	ZINC001194886451	970496265	/nfs/dbraw/zinc/49/62/65/970496265.db2.gz	JFEKMTQLLXKHRC-GVDBMIGSSA-N	1	0	361.490	1.057	20	30		FDEDRO
CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CC(=O)N(CCC#N)CCC#N)C1	ZINC000776824135	970552609	/nfs/dbraw/zinc/55/26/09/970552609.db2.gz	RVCBEFGZJQOOJR-HZPDHXFCSA-N	1	0	363.462	1.489	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](CCOCCC(C)C)C[C@H]1O	ZINC001195030591	970622363	/nfs/dbraw/zinc/62/23/63/970622363.db2.gz	SHJBNEGHVCHESX-LMMKCTJWSA-N	1	0	356.507	1.439	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)nc3onc(C)c32)C1	ZINC001195081793	970672856	/nfs/dbraw/zinc/67/28/56/970672856.db2.gz	VDLMIELWOVEEAO-DAXOMENPSA-N	1	0	358.442	1.969	20	30		FDEDRO
C=C(C)[C@@H](CO)[N@@H+]1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1	ZINC000776837285	970685776	/nfs/dbraw/zinc/68/57/76/970685776.db2.gz	GPCGAHBVJHQVEB-HZPDHXFCSA-N	1	0	367.490	1.467	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1	ZINC000855809832	970696745	/nfs/dbraw/zinc/69/67/45/970696745.db2.gz	NBDFBBVBALNMGW-JGWKNBOWSA-N	1	0	360.458	1.426	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCOc3ccccc3)C[C@H]2O)cn1	ZINC001197926131	972554411	/nfs/dbraw/zinc/55/44/11/972554411.db2.gz	FIGBMWGLFUZYKQ-WOJBJXKFSA-N	1	0	365.433	1.307	20	30		FDEDRO
CC(=NN[C@@H]1CCCS(=O)(=O)C1)c1ccc(OCC[NH+](C)C)cc1	ZINC000863130534	972672395	/nfs/dbraw/zinc/67/23/95/972672395.db2.gz	PXTSQAVYECKCRI-MRXNPFEDSA-N	1	0	353.488	1.518	20	30		FDEDRO
C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(Cl)cc2Cl)C1	ZINC001198069337	972760386	/nfs/dbraw/zinc/76/03/86/972760386.db2.gz	WVJBMFCJZORHIH-HUUCEWRRSA-N	1	0	359.253	1.971	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)c3ccccc3o2)C1	ZINC001198277081	972944598	/nfs/dbraw/zinc/94/45/98/972944598.db2.gz	ZHKJARSBXIWQBJ-FRFSOERESA-N	1	0	356.422	1.923	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)C2CCCCC2)C1	ZINC001198345839	973005024	/nfs/dbraw/zinc/00/50/24/973005024.db2.gz	VUCPBPWDXJOBTP-DJIMGWMZSA-N	1	0	351.491	1.199	20	30		FDEDRO
COc1cc(OC)c(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)c(OC)c1	ZINC000863552107	973008851	/nfs/dbraw/zinc/00/88/51/973008851.db2.gz	VVNBNCNUJOMKSX-AWEZNQCLSA-N	1	0	364.442	1.873	20	30		FDEDRO
CC[C@@H]1[C@@H]([NH2+]C[C@@H](O)CN(C)CCC#N)CCN1C(=O)OC(C)(C)C	ZINC000863575123	973027093	/nfs/dbraw/zinc/02/70/93/973027093.db2.gz	DXAIDGOWQVAKIO-OWCLPIDISA-N	1	0	354.495	1.570	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)nnn3CC)C1	ZINC001198528047	973213015	/nfs/dbraw/zinc/21/30/15/973213015.db2.gz	FBCQEFMZJPXJAM-FDQGKXFDSA-N	1	0	357.458	1.581	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)c(Cl)c2C)C1	ZINC001198708372	973457896	/nfs/dbraw/zinc/45/78/96/973457896.db2.gz	WWICNCMHHQWFBD-KCPJHIHWSA-N	1	0	354.882	1.669	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)N2CCOCC2)C1	ZINC001198863934	973604689	/nfs/dbraw/zinc/60/46/89/973604689.db2.gz	RLZRIQJZWLIKFB-QRVBRYPASA-N	1	0	367.534	1.229	20	30		FDEDRO
C#CCOC[C@@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](CC(C)C)C1	ZINC001251851652	973811212	/nfs/dbraw/zinc/81/12/12/973811212.db2.gz	PLRSUTLAPMDBDL-IRXDYDNUSA-N	1	0	354.491	1.965	20	30		FDEDRO
CN1CC[N@H+](CCCNC(=O)[C@]2(C#N)CCCOC2)[C@H](c2ccccc2)C1	ZINC000864829872	973868237	/nfs/dbraw/zinc/86/82/37/973868237.db2.gz	VGIRISYIIKLTRX-FPOVZHCZSA-N	1	0	370.497	1.802	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](c2cccnc2)N(C)C)C1	ZINC001199164183	973972889	/nfs/dbraw/zinc/97/28/89/973972889.db2.gz	PMUQMLCIJNQBKX-GUDVDZBRSA-N	1	0	362.518	1.816	20	30		FDEDRO
C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)c2coc(C#N)c2)CC1	ZINC000864996529	974000205	/nfs/dbraw/zinc/00/02/05/974000205.db2.gz	UUXHNZKMAAOLLB-UHFFFAOYSA-N	1	0	360.458	1.707	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCc3ccccc32)C[C@H]1O	ZINC001199307766	974147304	/nfs/dbraw/zinc/14/73/04/974147304.db2.gz	JUKMTRGCUGWLSH-DFQSSKMNSA-N	1	0	358.482	1.861	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCCc2cccc(OC)c2)C[C@H]1O	ZINC001199318668	974187065	/nfs/dbraw/zinc/18/70/65/974187065.db2.gz	ZERQZBBNGAGEFN-ATZDWAIDSA-N	1	0	362.470	1.380	20	30		FDEDRO
C=CCn1c(SCC(=O)NC2CC[NH+](C)CC2)nnc1-c1ccncc1	ZINC000865345550	974248843	/nfs/dbraw/zinc/24/88/43/974248843.db2.gz	ZWFLWQMKCNLQMZ-UHFFFAOYSA-N	1	0	372.498	1.829	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)COCC(C)C)C[C@H]2O)CCCC1	ZINC001199560774	974368697	/nfs/dbraw/zinc/36/86/97/974368697.db2.gz	ZGCNIZCQAKWYAF-KZNAEPCWSA-N	1	0	368.518	1.318	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COc1ccc(F)cc1	ZINC001110537855	974409446	/nfs/dbraw/zinc/40/94/46/974409446.db2.gz	BFABBRWKHWIXOQ-LFGUQSLTSA-N	1	0	374.456	1.946	20	30		FDEDRO
C=C(C)COc1cc(C[NH2+]C[C@]23COC(=O)N2CCOC3)ccc1OC	ZINC000865770771	974476715	/nfs/dbraw/zinc/47/67/15/974476715.db2.gz	UZSRERVGOAQHSN-IBGZPJMESA-N	1	0	362.426	1.961	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)Cc2nnc(-c3ccccc3OC)o2)CC1	ZINC000866015060	974622908	/nfs/dbraw/zinc/62/29/08/974622908.db2.gz	JTHSZUCIBLWUIT-UHFFFAOYSA-N	1	0	368.437	1.892	20	30		FDEDRO
CC(=O)NCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccc(C#N)cc1F)C2	ZINC001111566902	974717977	/nfs/dbraw/zinc/71/79/77/974717977.db2.gz	GUBWXNGCZHYKMD-LPHOPBHVSA-N	1	0	358.417	1.304	20	30		FDEDRO
CC(=O)NCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccc(F)c(C#N)c1)C2	ZINC001111566903	974730971	/nfs/dbraw/zinc/73/09/71/974730971.db2.gz	GUDBUBHIDVSBFT-LPHOPBHVSA-N	1	0	358.417	1.304	20	30		FDEDRO
C=CCNC(=S)N1CCC[C@H]([NH+]2CC(CNC(=O)OC(C)(C)C)C2)C1	ZINC001200289723	974743586	/nfs/dbraw/zinc/74/35/86/974743586.db2.gz	LPDQVFKBHSRKCY-HNNXBMFYSA-N	1	0	368.547	1.968	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCCC[C@@H]1C	ZINC001110553298	974767053	/nfs/dbraw/zinc/76/70/53/974767053.db2.gz	INDFEJWBPGFZPR-MLHJIOFPSA-N	1	0	361.486	1.149	20	30		FDEDRO
C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)CCCO1	ZINC001200528759	974807608	/nfs/dbraw/zinc/80/76/08/974807608.db2.gz	OBHPSXKPFPHSJI-CEXWTWQISA-N	1	0	370.497	1.384	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)N[C@H](C)C2CC2)CC1	ZINC001200637008	974852471	/nfs/dbraw/zinc/85/24/71/974852471.db2.gz	NYZJTYNOIXTQNC-OLMNPRSZSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)CCCO1	ZINC001200711730	974878095	/nfs/dbraw/zinc/87/80/95/974878095.db2.gz	AJTDFQSDTMOOBX-KSZLIROESA-N	1	0	354.491	1.744	20	30		FDEDRO
CCCC[C@H](CNc1nccnc1C#N)NC(=O)[C@@H]1C[C@H]1c1cncn1C	ZINC001114314271	974889303	/nfs/dbraw/zinc/88/93/03/974889303.db2.gz	SNASHXQRXUZZDY-RBSFLKMASA-N	1	0	367.457	1.972	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccnn2C)CCCO1	ZINC001201043266	974956749	/nfs/dbraw/zinc/95/67/49/974956749.db2.gz	WEVQAVTWXCJCGS-RRFJBIMHSA-N	1	0	352.866	1.483	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2ccsc2)CC1	ZINC001201261211	974992790	/nfs/dbraw/zinc/99/27/90/974992790.db2.gz	WONKWFBNRLZMQN-RRQGHBQHSA-N	1	0	359.495	1.570	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CCCCOC)C1	ZINC001201613272	975098490	/nfs/dbraw/zinc/09/84/90/975098490.db2.gz	ZBLASUUYDUBMFQ-QYZOEREBSA-N	1	0	368.518	1.991	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CCCOCC)C1	ZINC001201621443	975100614	/nfs/dbraw/zinc/10/06/14/975100614.db2.gz	LCDJHZUANSHBKY-SQNIBIBYSA-N	1	0	354.491	1.601	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CC1	ZINC001201677922	975106799	/nfs/dbraw/zinc/10/67/99/975106799.db2.gz	VUCJCPLWTIDTEF-UAGQMJEPSA-N	1	0	351.491	1.735	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@]2(C)c2ccccc2)CC1	ZINC001201700724	975123017	/nfs/dbraw/zinc/12/30/17/975123017.db2.gz	BIMXDGLGIZPLDR-GHTZIAJQSA-N	1	0	355.482	1.847	20	30		FDEDRO
C=CCC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1	ZINC001201737258	975137494	/nfs/dbraw/zinc/13/74/94/975137494.db2.gz	WIRXOFTUQOTNMQ-MSOLQXFVSA-N	1	0	351.491	1.023	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NC(=O)COC)C2	ZINC001110584956	975317597	/nfs/dbraw/zinc/31/75/97/975317597.db2.gz	RQVDJOXOMSPQAP-HZMVEIRTSA-N	1	0	351.491	1.605	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@@H]([NH2+]C1CCN(CCN3CCOCC3)CC1)C2	ZINC000866617509	975836770	/nfs/dbraw/zinc/83/67/70/975836770.db2.gz	KLKAXBJBJWXMSG-NRFANRHFSA-N	1	0	354.498	1.412	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1	ZINC000866667410	975889901	/nfs/dbraw/zinc/88/99/01/975889901.db2.gz	LKCDTDXHOLJUOC-MANSERQUSA-N	1	0	357.454	1.991	20	30		FDEDRO
C[NH+](C)CCn1ccc(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)n1	ZINC000847626189	975930417	/nfs/dbraw/zinc/93/04/17/975930417.db2.gz	GCXCRQYOHAPNAV-GOSISDBHSA-N	1	0	353.426	1.530	20	30		FDEDRO
CN1CC[C@@H](C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1=O	ZINC000847747979	976018676	/nfs/dbraw/zinc/01/86/76/976018676.db2.gz	VNKNPPYAHHYMGN-QGZVFWFLSA-N	1	0	355.438	1.814	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cn1cccn1	ZINC001110593283	976066664	/nfs/dbraw/zinc/06/66/64/976066664.db2.gz	RZXFCBQRIISRGN-HCXYKTFWSA-N	1	0	358.486	1.734	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CCOC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1	ZINC000847828313	976073428	/nfs/dbraw/zinc/07/34/28/976073428.db2.gz	AKTCDUJTLMUNRJ-AWEZNQCLSA-N	1	0	365.455	1.377	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21	ZINC000866824961	976114434	/nfs/dbraw/zinc/11/44/34/976114434.db2.gz	OOZKUGZRXDOZFR-QWHCGFSZSA-N	1	0	370.272	1.836	20	30		FDEDRO
C=CCN(C(=O)[C@H](O)c1cnc[nH]1)[C@@H](Cc1ccccc1)C(=O)OCC	ZINC000867638539	976551861	/nfs/dbraw/zinc/55/18/61/976551861.db2.gz	VAHGTFXUMFNZBG-DLBZAZTESA-N	1	0	357.410	1.632	20	30		FDEDRO
Cc1noc([C@H]2CCCN(C(=O)[C@H]3[NH2+]CCc4cc(C#N)ccc43)C2)n1	ZINC000867927849	977101505	/nfs/dbraw/zinc/10/15/05/977101505.db2.gz	PYBMQGDRGXBMSH-RDJZCZTQSA-N	1	0	351.410	1.843	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1C[C@@H](C(N)=O)Cc2ccccc21	ZINC000867949432	977130098	/nfs/dbraw/zinc/13/00/98/977130098.db2.gz	YHBAGCPZVCOFRF-QFBILLFUSA-N	1	0	360.417	1.436	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1	ZINC000867953318	977133942	/nfs/dbraw/zinc/13/39/42/977133942.db2.gz	SOTRCLROGAIKKQ-PKOBYXMFSA-N	1	0	366.465	1.652	20	30		FDEDRO
COC(=O)[C@@H](NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)c1cccs1	ZINC000867957711	977141541	/nfs/dbraw/zinc/14/15/41/977141541.db2.gz	WCOSLMIOCTUNNH-HOTGVXAUSA-N	1	0	355.419	1.837	20	30		FDEDRO
CNC(NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F)=[NH+]C	ZINC000848988457	977285450	/nfs/dbraw/zinc/28/54/50/977285450.db2.gz	FONHGZABFIZCCY-LLVKDONJSA-N	1	0	367.416	1.265	20	30		FDEDRO
CC[C@@]1(CNC(NCCN2CCOCC2)=[NH+]C)OCCc2ccccc21	ZINC000849084296	977307030	/nfs/dbraw/zinc/30/70/30/977307030.db2.gz	JJEIUZFHPAKNNB-FQEVSTJZSA-N	1	0	360.502	1.362	20	30		FDEDRO
C[NH+]=C(NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)NC1CC1	ZINC000849104384	977316756	/nfs/dbraw/zinc/31/67/56/977316756.db2.gz	MDYRPBUYXHGDOK-OAHLLOKOSA-N	1	0	362.449	1.171	20	30		FDEDRO
Cc1nccnc1CCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000849113634	977325367	/nfs/dbraw/zinc/32/53/67/977325367.db2.gz	XUFKIZBXNOTJLP-AWEZNQCLSA-N	1	0	360.462	1.208	20	30		FDEDRO
N#CCc1cccc(NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1	ZINC000868164284	977328526	/nfs/dbraw/zinc/32/85/26/977328526.db2.gz	NNHRHHHYFYHWPU-OAGGEKHMSA-N	1	0	355.398	1.151	20	30		FDEDRO
Cc1cnc(CCNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)cn1	ZINC000849116060	977328694	/nfs/dbraw/zinc/32/86/94/977328694.db2.gz	IUZYKUYZWDWYCQ-OAHLLOKOSA-N	1	0	360.462	1.208	20	30		FDEDRO
Cc1cnc(CCNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)cn1	ZINC000849116058	977328725	/nfs/dbraw/zinc/32/87/25/977328725.db2.gz	IUZYKUYZWDWYCQ-HNNXBMFYSA-N	1	0	360.462	1.208	20	30		FDEDRO
CN1CCN(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)[C@@H](C[NH3+])C1	ZINC000868208985	977346626	/nfs/dbraw/zinc/34/66/26/977346626.db2.gz	FGWVOYHQHQZFJQ-KBPBESRZSA-N	1	0	355.364	1.446	20	30		FDEDRO
COCC[N@H+](C)CCNC(=O)N1CCN(c2ccc(F)cc2C#N)CC1	ZINC000868217432	977355368	/nfs/dbraw/zinc/35/53/68/977355368.db2.gz	UGRRRXNRPDDWKD-UHFFFAOYSA-N	1	0	363.437	1.107	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCN(S(C)(=O)=O)C1	ZINC001110610883	977419167	/nfs/dbraw/zinc/41/91/67/977419167.db2.gz	XEULBLPAGQPLRR-VQHPVUNQSA-N	1	0	369.531	1.346	20	30		FDEDRO
CN(CCc1cccc(C#N)c1)C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2	ZINC000868300363	977470623	/nfs/dbraw/zinc/47/06/23/977470623.db2.gz	XUMNJTPVDFDPAD-UHFFFAOYSA-N	1	0	362.433	1.844	20	30		FDEDRO
C#CCCN1CCN(C(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)CC1	ZINC000849516223	977709294	/nfs/dbraw/zinc/70/92/94/977709294.db2.gz	HCAOPXRALPBAOD-PMACEKPBSA-N	1	0	371.529	1.402	20	30		FDEDRO
C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N(C)CCc1cccc(C#N)c1	ZINC000868511619	977726922	/nfs/dbraw/zinc/72/69/22/977726922.db2.gz	ITWSFAALKDFVAU-KRWDZBQOSA-N	1	0	357.502	1.768	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N(C)CCc1cccc(C#N)c1	ZINC000868511620	977727311	/nfs/dbraw/zinc/72/73/11/977727311.db2.gz	ITWSFAALKDFVAU-QGZVFWFLSA-N	1	0	357.502	1.768	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1	ZINC000868581246	977789597	/nfs/dbraw/zinc/78/95/97/977789597.db2.gz	GASYTYUNVQJTCW-SFHVURJKSA-N	1	0	353.463	1.084	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](C)c1ccc(S(C)(=O)=O)cc1	ZINC000868653623	977870940	/nfs/dbraw/zinc/87/09/40/977870940.db2.gz	YJEYFPJXFDBDIG-OAHLLOKOSA-N	1	0	365.499	1.448	20	30		FDEDRO
C=CCCn1cc(C[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)nn1	ZINC000850183363	978230125	/nfs/dbraw/zinc/23/01/25/978230125.db2.gz	DVDIAJHKJKOUHU-UHFFFAOYSA-N	1	0	367.397	1.258	20	30		FDEDRO
CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2ccc(C#N)s2)cc1	ZINC000850586138	978448280	/nfs/dbraw/zinc/44/82/80/978448280.db2.gz	LXCHALRDDRHQDT-CQSZACIVSA-N	1	0	350.469	1.664	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1	ZINC000850730060	978652684	/nfs/dbraw/zinc/65/26/84/978652684.db2.gz	LENWLANHUMRZHF-UHFFFAOYSA-N	1	0	369.465	1.875	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)N1C(=O)CCC1=O)C2	ZINC001110624306	978667004	/nfs/dbraw/zinc/66/70/04/978667004.db2.gz	MXAGIACREGPXNA-HZMVEIRTSA-N	1	0	361.486	1.992	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(CC)C1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1	ZINC000967994125	1014529273	/nfs/dbraw/zinc/52/92/73/1014529273.db2.gz	MRVQRVCYYUUZTC-KSZLIROESA-N	1	0	363.502	1.511	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(c2nccnc2C#N)CC1	ZINC001110630341	978876793	/nfs/dbraw/zinc/87/67/93/978876793.db2.gz	XHPWEIXNLYQAAF-NVXWUHKLSA-N	1	0	366.469	1.119	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(CC)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1	ZINC000967998818	1014534915	/nfs/dbraw/zinc/53/49/15/1014534915.db2.gz	BTCVPBDIZPJQTN-NJAFHUGGSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1	ZINC000968001066	1014538642	/nfs/dbraw/zinc/53/86/42/1014538642.db2.gz	NYCLZBZJDQEKDE-AYBZRNKSSA-N	1	0	363.502	1.511	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)nc1	ZINC000851655004	978985877	/nfs/dbraw/zinc/98/58/77/978985877.db2.gz	MFMARIONDDQUQG-QGZVFWFLSA-N	1	0	356.474	1.786	20	30		FDEDRO
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)c1	ZINC000851657046	978986565	/nfs/dbraw/zinc/98/65/65/978986565.db2.gz	VKBBFKYMQQNHPW-AWEZNQCLSA-N	1	0	370.413	1.321	20	30		FDEDRO
C#CCC1(O)CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1	ZINC000880479231	979219704	/nfs/dbraw/zinc/21/97/04/979219704.db2.gz	QSUPWPHQWOREEH-UHFFFAOYSA-N	1	0	369.509	1.749	20	30		FDEDRO
C#C[C@@H](NC(=O)NCc1cccnc1N1CC[NH+](C)CC1)C1CCOCC1	ZINC000852017030	979276630	/nfs/dbraw/zinc/27/66/30/979276630.db2.gz	RAQYUEYDUDDSTL-GOSISDBHSA-N	1	0	371.485	1.061	20	30		FDEDRO
COc1ccc(C[N@H+](CCO)C[C@H](O)COc2ccc(C#N)cc2)cc1	ZINC000880569971	979315341	/nfs/dbraw/zinc/31/53/41/979315341.db2.gz	NJGXIGINMMEZMP-SFHVURJKSA-N	1	0	356.422	1.801	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)cc1	ZINC000880584744	979329634	/nfs/dbraw/zinc/32/96/34/979329634.db2.gz	LVOFHUZPOIVXET-QZTJIDSGSA-N	1	0	360.454	1.356	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([N@@H+]3C[C@@H](O)CC4(CCOCC4)C3)C2=O)cc1	ZINC000880585494	979330832	/nfs/dbraw/zinc/33/08/32/979330832.db2.gz	XOGCVMLGIJPBBR-ROUUACIJSA-N	1	0	355.438	1.527	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC(CO)([NH2+]CC(C)C)CC1	ZINC000852124038	979366875	/nfs/dbraw/zinc/36/68/75/979366875.db2.gz	NMYKNQICRSUPGE-SFHVURJKSA-N	1	0	359.470	1.845	20	30		FDEDRO
C[C@@H](CNC(=O)Nc1cc(C#N)c(F)cc1F)C[NH+]1CCN(C)CC1	ZINC000880716046	979405267	/nfs/dbraw/zinc/40/52/67/979405267.db2.gz	NAVMUZQGKZUQAC-LBPRGKRZSA-N	1	0	351.401	1.841	20	30		FDEDRO
COc1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1C#N	ZINC000880877850	979508563	/nfs/dbraw/zinc/50/85/63/979508563.db2.gz	MNHHRXAQKWMPQL-MRXNPFEDSA-N	1	0	371.441	1.337	20	30		FDEDRO
N#CCc1cccc(NC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)n1	ZINC000881141684	979715799	/nfs/dbraw/zinc/71/57/99/979715799.db2.gz	KNNHCPLRFWPELS-KRWDZBQOSA-N	1	0	372.473	1.066	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(C(=O)Nc2cccc(CC#N)n2)CC1	ZINC000881148570	979717368	/nfs/dbraw/zinc/71/73/68/979717368.db2.gz	SYCIYXIUFIVUKC-UHFFFAOYSA-N	1	0	352.398	1.905	20	30		FDEDRO
C[C@@H]1CN(C(=O)Nc2cccc(CC#N)n2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000881148858	979718241	/nfs/dbraw/zinc/71/82/41/979718241.db2.gz	GQGWHTWZEVRINW-WBVHZDCISA-N	1	0	356.474	1.637	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(CC)C2CN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000968040650	1014601941	/nfs/dbraw/zinc/60/19/41/1014601941.db2.gz	YRAALELOJFTSFE-RBUKOAKNSA-N	1	0	357.498	1.437	20	30		FDEDRO
Cc1cc(C#N)ccc1C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1	ZINC000881623644	980019744	/nfs/dbraw/zinc/01/97/44/980019744.db2.gz	NPPJRWPAGIHIIK-UHFFFAOYSA-N	1	0	354.454	1.813	20	30		FDEDRO
N#Cc1nnc2ccccc2c1N1CCC(C(N)=O)([NH+]2CCCCC2)CC1	ZINC000882815926	981709223	/nfs/dbraw/zinc/70/92/23/981709223.db2.gz	UWCJEYUWQCUYML-UHFFFAOYSA-N	1	0	364.453	1.812	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)NCc1ccccc1CN1CC[NH+](CC)CC1	ZINC000858151422	981866249	/nfs/dbraw/zinc/86/62/49/981866249.db2.gz	FQETWXWQTXNQQT-HXUWFJFHSA-N	1	0	372.513	1.662	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1	ZINC000858151169	981866804	/nfs/dbraw/zinc/86/68/04/981866804.db2.gz	WFPMQQRBXSGHGB-LJQANCHMSA-N	1	0	358.486	1.272	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000858275690	981954919	/nfs/dbraw/zinc/95/49/19/981954919.db2.gz	LEGRKXPPRHASOV-RTBURBONSA-N	1	0	358.486	1.313	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000858275689	981954949	/nfs/dbraw/zinc/95/49/49/981954949.db2.gz	LEGRKXPPRHASOV-RBUKOAKNSA-N	1	0	358.486	1.313	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1	ZINC000858352778	982000977	/nfs/dbraw/zinc/00/09/77/982000977.db2.gz	GILMEIKVMCJCGX-RTBURBONSA-N	1	0	359.470	1.481	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[C@@H]1CCOC1	ZINC000883213889	982017547	/nfs/dbraw/zinc/01/75/47/982017547.db2.gz	SFYXOZAVDZZHKV-OWCLPIDISA-N	1	0	367.490	1.540	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CC1	ZINC000883329912	982072847	/nfs/dbraw/zinc/07/28/47/982072847.db2.gz	UHABOJSXHLXTCY-UHFFFAOYSA-N	1	0	373.497	1.729	20	30		FDEDRO
C#C[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCCO1	ZINC000883627343	982324235	/nfs/dbraw/zinc/32/42/35/982324235.db2.gz	YSOJHEJRLSPYDV-RTBURBONSA-N	1	0	356.470	1.418	20	30		FDEDRO
C#C[C@H](NC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1)c1ccccc1	ZINC000883704131	982398422	/nfs/dbraw/zinc/39/84/22/982398422.db2.gz	CUYXSWUNAQIKHJ-SFHVURJKSA-N	1	0	368.481	1.876	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCC[C@H]([NH2+]C3CCOCC3)C1)C2	ZINC000883805594	982484442	/nfs/dbraw/zinc/48/44/42/982484442.db2.gz	LSMBQBZDRNQWKY-PMACEKPBSA-N	1	0	368.481	1.968	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCOCC1	ZINC000859055427	982487754	/nfs/dbraw/zinc/48/77/54/982487754.db2.gz	JZDXJHBOYQILQS-GOSISDBHSA-N	1	0	374.441	1.788	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O	ZINC000859133978	982563564	/nfs/dbraw/zinc/56/35/64/982563564.db2.gz	ARTPRCUPXPMEDA-MSOLQXFVSA-N	1	0	357.454	1.775	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C	ZINC000133267544	982653110	/nfs/dbraw/zinc/65/31/10/982653110.db2.gz	BXUGKQVZNZBOPO-ZDUSSCGKSA-N	1	0	363.433	1.869	20	30		FDEDRO
CCOC(=O)N1CCC([C@@H](C)[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CC1	ZINC000859260303	982654127	/nfs/dbraw/zinc/65/41/27/982654127.db2.gz	QNHMYNNRLMZKCE-WBVHZDCISA-N	1	0	367.490	1.904	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1	ZINC000859274476	982671407	/nfs/dbraw/zinc/67/14/07/982671407.db2.gz	RLUAAHOHIYVXIL-SJLPKXTDSA-N	1	0	356.426	1.467	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1	ZINC000800139398	982762825	/nfs/dbraw/zinc/76/28/25/982762825.db2.gz	ITQCMAZLZNOZEG-GOSISDBHSA-N	1	0	364.515	1.969	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NCc2ccc(OC)c(OC)c2OC)C1	ZINC000884063814	982798207	/nfs/dbraw/zinc/79/82/07/982798207.db2.gz	MYSZJSLAZFIPIG-OAHLLOKOSA-N	1	0	361.442	1.609	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1ccc(C(=O)N3CCOCC3)cc1)C2	ZINC000884072523	982820689	/nfs/dbraw/zinc/82/06/89/982820689.db2.gz	FPTZYRPOARZEPO-NGEICVOHSA-N	1	0	368.437	1.237	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1)C2	ZINC000884077231	982829095	/nfs/dbraw/zinc/82/90/95/982829095.db2.gz	FTJBRTAGBZHVIT-KQNFGGRRSA-N	1	0	366.465	1.606	20	30		FDEDRO
COc1ccc(-n2ccc(CNC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)n2)cc1	ZINC000884100979	982867150	/nfs/dbraw/zinc/86/71/50/982867150.db2.gz	KTEDQHRURMQUHA-CHWWFWEZSA-N	1	0	365.437	1.636	20	30		FDEDRO
C[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1cccc(N2CCOC2=O)c1	ZINC000884109177	982879706	/nfs/dbraw/zinc/87/97/06/982879706.db2.gz	XWOIXQFUPUMHGU-IRDXTQHGSA-N	1	0	368.437	1.960	20	30		FDEDRO
CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884122117	982904919	/nfs/dbraw/zinc/90/49/19/982904919.db2.gz	HZWAANBXXSALDI-BJCXPLBRSA-N	1	0	362.380	1.501	20	30		FDEDRO
COc1ccc(C[C@@H](C)NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1OC	ZINC000884128034	982909354	/nfs/dbraw/zinc/90/93/54/982909354.db2.gz	SAZWOWIDOIGSTH-QCGWZAEESA-N	1	0	357.454	1.890	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCCCC(=O)N1CCc3ccccc31)C2	ZINC000884136287	982918668	/nfs/dbraw/zinc/91/86/68/982918668.db2.gz	IEXWGOXHPZVHEJ-BATSVXPKSA-N	1	0	366.465	1.611	20	30		FDEDRO
CC(C)Oc1ccc([C@H](O)CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1	ZINC000884144132	982925182	/nfs/dbraw/zinc/92/51/82/982925182.db2.gz	BRDGVNLGQCLZKV-URTYCYGZSA-N	1	0	357.454	1.763	20	30		FDEDRO
COc1ccccc1N1CC[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1=O	ZINC000884165555	982941562	/nfs/dbraw/zinc/94/15/62/982941562.db2.gz	JSWJKJLMQVYECV-LTWWHTJUSA-N	1	0	368.437	1.056	20	30		FDEDRO
Cn1cc(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc(Br)c1=O	ZINC000884172270	982945981	/nfs/dbraw/zinc/94/59/81/982945981.db2.gz	QKASKUVRCCCONC-KGXJWFGYSA-N	1	0	365.231	1.226	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCc3ccccc3CO)=[NH+]C[C@H]2C1	ZINC000133906433	982951888	/nfs/dbraw/zinc/95/18/88/982951888.db2.gz	OYMKAHRALCSLMT-INIZCTEOSA-N	1	0	360.458	1.559	20	30		FDEDRO
C[C@@H]([NH3+])CN(C)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1	ZINC000859635811	982952116	/nfs/dbraw/zinc/95/21/16/982952116.db2.gz	YBTGTQHWUWRCLF-RILUTCLRSA-N	1	0	367.475	1.310	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2CCOCC2)C3)c1	ZINC001095327782	982962129	/nfs/dbraw/zinc/96/21/29/982962129.db2.gz	GFNCZMWEQSROBK-QYZOEREBSA-N	1	0	354.454	1.112	20	30		FDEDRO
Cc1cc(C)n(-c2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)cn2)n1	ZINC000884187883	982964216	/nfs/dbraw/zinc/96/42/16/982964216.db2.gz	RRNBYXBLGMYSPM-HVEKOLDVSA-N	1	0	350.426	1.962	20	30		FDEDRO
Cc1noc(C)c1CN1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1	ZINC000884194255	982970226	/nfs/dbraw/zinc/97/02/26/982970226.db2.gz	DSTVYQNMQFMLQD-KOHRHEQBSA-N	1	0	357.458	1.075	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1	ZINC000884204925	982980028	/nfs/dbraw/zinc/98/00/28/982980028.db2.gz	IFLVKZQAFMJGAY-SJORKVTESA-N	1	0	351.491	1.404	20	30		FDEDRO
CC(C)[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1nnc2ccccn21	ZINC000884208953	982985337	/nfs/dbraw/zinc/98/53/37/982985337.db2.gz	NRJWYYIFJWYGNF-IJSAUFJJSA-N	1	0	352.442	1.682	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1nc(-c3ccncc3)cs1)C2	ZINC000884210957	982987424	/nfs/dbraw/zinc/98/74/24/982987424.db2.gz	OUUWOWDWNCOBPR-FVRSWCFKSA-N	1	0	353.451	1.961	20	30		FDEDRO
COc1cccc(N2CCC[C@H](NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)C2)c1	ZINC000884219403	982993656	/nfs/dbraw/zinc/99/36/56/982993656.db2.gz	OOFYIJIATSDINM-NHUHVJRWSA-N	1	0	368.481	1.920	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000884234478	983010044	/nfs/dbraw/zinc/01/00/44/983010044.db2.gz	UWXUKJDFEVIIOB-SFHVURJKSA-N	1	0	374.485	1.209	20	30		FDEDRO
N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(OC(F)F)c(Br)c1	ZINC000884250592	983026938	/nfs/dbraw/zinc/02/69/38/983026938.db2.gz	JDAMBJOOIKFRRQ-WCBMZHEXSA-N	1	0	360.158	1.892	20	30		FDEDRO
N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)COCCc1ccc(Br)cc1	ZINC000884249387	983027220	/nfs/dbraw/zinc/02/72/20/983027220.db2.gz	KNFLWJWNKQTWIU-JSGCOSHPSA-N	1	0	352.232	1.236	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1C[C@H](C(N)=O)[C@@H](c2cnn(C)c2)C1	ZINC000332403537	983047593	/nfs/dbraw/zinc/04/75/93/983047593.db2.gz	LDFGIMKYGNLGOF-OGIUKLMXSA-N	1	0	360.462	1.414	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N(Cc1ccncc1)C[C@@H]1CCCO1)C2	ZINC000884308370	983072335	/nfs/dbraw/zinc/07/23/35/983072335.db2.gz	NSDLROCZDKGHPL-NRGCRIOASA-N	1	0	354.454	1.729	20	30		FDEDRO
COc1cccc([C@@H]2CN(C(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CCO2)c1	ZINC000884310175	983074207	/nfs/dbraw/zinc/07/42/07/983074207.db2.gz	QLFKFXUXBSFCCK-OUBFZGACSA-N	1	0	355.438	1.734	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](CC)C1	ZINC000884322896	983084129	/nfs/dbraw/zinc/08/41/29/983084129.db2.gz	YHQWZVWLBJQMML-ROUUACIJSA-N	1	0	359.470	1.556	20	30		FDEDRO
CCOC(=O)[C@](C)(CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccccc1	ZINC000884333905	983093125	/nfs/dbraw/zinc/09/31/25/983093125.db2.gz	BKEIJFXRYILFJD-ZJUYRTJNSA-N	1	0	369.465	1.763	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NCc2ccncc2OC[C@@H]2CCOC2)C1	ZINC000884352605	983109680	/nfs/dbraw/zinc/10/96/80/983109680.db2.gz	LJSTUAWXRXQNRA-SJLPKXTDSA-N	1	0	372.469	1.394	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3sccn3c1=O)C2	ZINC001110783112	983292368	/nfs/dbraw/zinc/29/23/68/983292368.db2.gz	XTPBGZSITPELTD-YUELXQCFSA-N	1	0	374.466	1.294	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1	ZINC000968402101	1014937962	/nfs/dbraw/zinc/93/79/62/1014937962.db2.gz	UMJNKHYNFYVQHX-JTDSTZFVSA-N	1	0	363.502	1.153	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(=O)n(CCOC)n1)C2	ZINC001110785305	983440211	/nfs/dbraw/zinc/44/02/11/983440211.db2.gz	OSBIFPKAFJQOON-AHCXZYCDSA-N	1	0	374.485	1.580	20	30		FDEDRO
N#Cc1cccc(CNC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1	ZINC000861552227	983776482	/nfs/dbraw/zinc/77/64/82/983776482.db2.gz	CZSKIBBERMRWOH-SJORKVTESA-N	1	0	369.425	1.025	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1	ZINC000861572929	983782255	/nfs/dbraw/zinc/78/22/55/983782255.db2.gz	YQCYSQOKKFEUSS-IBGZPJMESA-N	1	0	372.469	1.889	20	30		FDEDRO
C#CC[C@@H]1CC[N@@H+](Cc2ccc(OCC(=O)N3CCOCC3)c(OC)c2)C1	ZINC000862443255	984391195	/nfs/dbraw/zinc/39/11/95/984391195.db2.gz	MZWXTJXWTKKSMA-QGZVFWFLSA-N	1	0	372.465	1.778	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1	ZINC000862628955	984446617	/nfs/dbraw/zinc/44/66/17/984446617.db2.gz	KZOWKDKGFRTAKB-MJWGMMHASA-N	1	0	360.458	1.426	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)NC1CC[NH+]([C@@H]3CCC[C@@H]3O)CC1)C2	ZINC000869188380	984932377	/nfs/dbraw/zinc/93/23/77/984932377.db2.gz	HNLOWLSDMPQRGW-AQNXPRMDSA-N	1	0	368.481	1.702	20	30		FDEDRO
CC1([NH+]2CCOCC2)CCN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1	ZINC000869192923	984936263	/nfs/dbraw/zinc/93/62/63/984936263.db2.gz	DWSQMMANGPXGCO-LJQANCHMSA-N	1	0	368.481	1.922	20	30		FDEDRO
N#CCCc1ccc(S(=O)(=O)NC[C@@H]2CCCCN2CCO)cc1	ZINC000885213845	985247011	/nfs/dbraw/zinc/24/70/11/985247011.db2.gz	IHODKESMNOZSGN-INIZCTEOSA-N	1	0	351.472	1.268	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F	ZINC000885285963	985290109	/nfs/dbraw/zinc/29/01/09/985290109.db2.gz	UOEYAVMHLADKJG-LBPRGKRZSA-N	1	0	357.426	1.624	20	30		FDEDRO
C[C@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)c1cccc(F)c1C#N	ZINC000885845558	985690509	/nfs/dbraw/zinc/69/05/09/985690509.db2.gz	MPSQBCRURICHQL-ZDUSSCGKSA-N	1	0	360.414	1.992	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(Cc3cccc(OC)c3)CC2)CC1	ZINC000870155993	985738764	/nfs/dbraw/zinc/73/87/64/985738764.db2.gz	FWWIBONIKVEQSM-UHFFFAOYSA-N	1	0	355.482	1.685	20	30		FDEDRO
CCOC(=O)C1CCN(C(=O)C[N@H+](C)C[C@@H](O)CC2(C#N)CCC2)CC1	ZINC000885981952	985818073	/nfs/dbraw/zinc/81/80/73/985818073.db2.gz	RJAXJDFGEBMYSW-INIZCTEOSA-N	1	0	365.474	1.165	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@@H+]2CC[C@@H](N3CC(=O)Nc4ccccc43)C2)CCC1	ZINC000886134339	985923738	/nfs/dbraw/zinc/92/37/38/985923738.db2.gz	PKUMNXRREQSRDW-HZPDHXFCSA-N	1	0	354.454	1.964	20	30		FDEDRO
C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000886295644	986044595	/nfs/dbraw/zinc/04/45/95/986044595.db2.gz	DYSBLVFZSCLYBF-PBHICJAKSA-N	1	0	358.467	1.986	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)CCC1	ZINC000886313965	986057298	/nfs/dbraw/zinc/05/72/98/986057298.db2.gz	IKEVJDCZQLWAIL-OWSLCNJRSA-N	1	0	363.502	1.563	20	30		FDEDRO
C#CCN(C(=O)[C@@H](CCOC)NC(=O)OC(C)(C)C)C1CC[NH+](C)CC1	ZINC000886572588	986372552	/nfs/dbraw/zinc/37/25/52/986372552.db2.gz	RTGYWODFVWPPKK-MRXNPFEDSA-N	1	0	367.490	1.472	20	30		FDEDRO
C#CCN(C(=O)c1cc(F)cc(N2CCOCC2)c1)C1CC[NH+](C)CC1	ZINC000886574404	986373917	/nfs/dbraw/zinc/37/39/17/986373917.db2.gz	DTSWZIOHTBNYFI-UHFFFAOYSA-N	1	0	359.445	1.832	20	30		FDEDRO
C#CCN(C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1)C1CC[NH+](C)CC1	ZINC000886581369	986384342	/nfs/dbraw/zinc/38/43/42/986384342.db2.gz	VCIQMULSINCDIK-KRWDZBQOSA-N	1	0	367.449	1.061	20	30		FDEDRO
C#CCN(C(=O)c1cccc(CN2CCOCC2)c1)C1CC[NH+](C)CC1	ZINC000886581998	986386439	/nfs/dbraw/zinc/38/64/39/986386439.db2.gz	BCWODPRUKRTEDF-UHFFFAOYSA-N	1	0	355.482	1.688	20	30		FDEDRO
C#CCN(C(=O)[C@H]1CN(C(C)=O)c2ccccc2O1)C1CC[NH+](C)CC1	ZINC000886587311	986393222	/nfs/dbraw/zinc/39/32/22/986393222.db2.gz	RKRUWFXOINYXFV-LJQANCHMSA-N	1	0	355.438	1.357	20	30		FDEDRO
CC(=O)[C@](C#N)(CC[NH+]1CCC(O)(COCCO)CC1)c1ccccc1	ZINC000886753900	986551690	/nfs/dbraw/zinc/55/16/90/986551690.db2.gz	YXIMCOBCODTUIL-HXUWFJFHSA-N	1	0	360.454	1.263	20	30		FDEDRO
COC(=O)N[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000886859706	986659406	/nfs/dbraw/zinc/65/94/06/986659406.db2.gz	BSXJLQGPIQUBQJ-ZDUSSCGKSA-N	1	0	350.806	1.971	20	30		FDEDRO
N#CCc1ccc(CS(=O)(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)cc1	ZINC000871810811	987258518	/nfs/dbraw/zinc/25/85/18/987258518.db2.gz	OYFLTBRPFPPJHS-QGZVFWFLSA-N	1	0	363.483	1.331	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](C[NH2+]C[C@H](O)CC1(C#N)CC1)O2	ZINC000871983186	987406943	/nfs/dbraw/zinc/40/69/43/987406943.db2.gz	VPUILMDHEMFUMR-HUUCEWRRSA-N	1	0	365.474	1.799	20	30		FDEDRO
CN(CCCCCC[NH3+])C(=O)C(=O)N1CCN(c2ccc(C#N)cc2)CC1	ZINC000872197034	987507351	/nfs/dbraw/zinc/50/73/51/987507351.db2.gz	UZMYKZPMADASIF-UHFFFAOYSA-N	1	0	371.485	1.184	20	30		FDEDRO
N#Cc1ccccc1N1CCC([NH2+]C[C@H](O)CC2(O)CCOCC2)CC1	ZINC000872218839	987521474	/nfs/dbraw/zinc/52/14/74/987521474.db2.gz	BCGYDEVNVDRMLQ-GOSISDBHSA-N	1	0	359.470	1.409	20	30		FDEDRO
CC(C)(C)OC(=O)CN1CCC([NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1	ZINC000872227512	987527142	/nfs/dbraw/zinc/52/71/42/987527142.db2.gz	LAIQTFQHJIAVMB-SFHVURJKSA-N	1	0	359.470	1.987	20	30		FDEDRO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@]23CCC[C@H]2OCC3)CC1	ZINC000872315206	987595581	/nfs/dbraw/zinc/59/55/81/987595581.db2.gz	PGECADOQKAXYFG-WDYCEAGBSA-N	1	0	374.510	1.758	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NCc2ccnc(OCC[NH+](C)C)c2)c(C#N)c1	ZINC000872468111	987692643	/nfs/dbraw/zinc/69/26/43/987692643.db2.gz	SCXLYSIJYGOEBH-UHFFFAOYSA-N	1	0	374.466	1.681	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(OC)c(C)c(OC)c2)CC1	ZINC000292962933	987945913	/nfs/dbraw/zinc/94/59/13/987945913.db2.gz	ANRRGXDKQDRYLG-UHFFFAOYSA-N	1	0	361.442	1.717	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000365679184	987968262	/nfs/dbraw/zinc/96/82/62/987968262.db2.gz	LGLFSCJPQSPVLQ-SJORKVTESA-N	1	0	361.417	1.901	20	30		FDEDRO
CC#CCN(C)C(=O)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1	ZINC000293366783	988051736	/nfs/dbraw/zinc/05/17/36/988051736.db2.gz	HWBUTNIXAIBVOM-UHFFFAOYSA-N	1	0	358.442	1.305	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(-c2nccc(C)n2)c1	ZINC000293398266	988062086	/nfs/dbraw/zinc/06/20/86/988062086.db2.gz	ODHMAOTXWAXOAI-UHFFFAOYSA-N	1	0	365.437	1.462	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH+]1CCC([C@H]2CCCCCN2C(=O)COC)CC1	ZINC000360588627	988082409	/nfs/dbraw/zinc/08/24/09/988082409.db2.gz	QNPJZUFWBVAZJV-FUHWJXTLSA-N	1	0	363.502	1.254	20	30		FDEDRO
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)C(=O)Nc1ccc(C#N)cn1	ZINC000293552489	988108952	/nfs/dbraw/zinc/10/89/52/988108952.db2.gz	YYODFPLXDRCROA-OAHLLOKOSA-N	1	0	363.421	1.625	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(-c2n[nH]c(C)n2)ccc1C	ZINC000299225956	988250134	/nfs/dbraw/zinc/25/01/34/988250134.db2.gz	IGKKQPUZNQTAHW-UHFFFAOYSA-N	1	0	368.441	1.098	20	30		FDEDRO
CN1CC[NH+](C[C@@H]2CCCN(C(=O)C#Cc3ccc4c(c3)OCO4)C2)CC1	ZINC000366118389	988431895	/nfs/dbraw/zinc/43/18/95/988431895.db2.gz	HZUBKGZRAAYKJY-SFHVURJKSA-N	1	0	369.465	1.253	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c1	ZINC000294562625	988471799	/nfs/dbraw/zinc/47/17/99/988471799.db2.gz	BMSUTFJIHGZPCX-UHFFFAOYSA-N	1	0	371.485	1.154	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1	ZINC000873062689	988498141	/nfs/dbraw/zinc/49/81/41/988498141.db2.gz	XCCQLPWBWWTZJI-MRXNPFEDSA-N	1	0	356.474	1.658	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000294691425	988528237	/nfs/dbraw/zinc/52/82/37/988528237.db2.gz	SKTFHRRFLXIIPJ-MAUKXSAKSA-N	1	0	357.454	1.038	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)Cn2cnc3c2C[C@@H](C)[C@@H](C)C3)CC1	ZINC000295089435	988605117	/nfs/dbraw/zinc/60/51/17/988605117.db2.gz	FFIRRLBPGLWKRU-FCEWJHQRSA-N	1	0	357.502	1.946	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000295168664	988621505	/nfs/dbraw/zinc/62/15/05/988621505.db2.gz	AENXYVOPFZAYPN-AZUAARDMSA-N	1	0	355.482	1.443	20	30		FDEDRO
COC[C@@]1(C(=O)OC)CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1	ZINC000295243703	988638787	/nfs/dbraw/zinc/63/87/87/988638787.db2.gz	YJOXYQUFNIGLIC-OXJNMPFZSA-N	1	0	373.453	1.833	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1	ZINC000873304420	988699707	/nfs/dbraw/zinc/69/97/07/988699707.db2.gz	PZXIHFPWYYXOFW-KRWDZBQOSA-N	1	0	372.469	1.883	20	30		FDEDRO
COCC[N@H+](C)CCNC(=O)N[C@H]1CCCN(c2ccccc2C#N)C1	ZINC000362749859	988723721	/nfs/dbraw/zinc/72/37/21/988723721.db2.gz	FSVWQQSSPZJSBG-KRWDZBQOSA-N	1	0	359.474	1.404	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1	ZINC000366704441	988751983	/nfs/dbraw/zinc/75/19/83/988751983.db2.gz	RBJCAOCIBGADDR-LNLFQRSKSA-N	1	0	364.534	1.778	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)C1=O	ZINC000366881518	988831777	/nfs/dbraw/zinc/83/17/77/988831777.db2.gz	JNVIRCIYMGMZRK-YSIASYRMSA-N	1	0	357.498	1.995	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1	ZINC000367252265	988943021	/nfs/dbraw/zinc/94/30/21/988943021.db2.gz	LOOQCWSKHIYWGT-HKUYNNGSSA-N	1	0	372.469	1.574	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CCN2c3ccccc3O[C@H](C)C2=O)CC1	ZINC000367378526	988946999	/nfs/dbraw/zinc/94/69/99/988946999.db2.gz	HVJLRAPCDHWMMF-OAHLLOKOSA-N	1	0	355.438	1.262	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N1CCN(C)[C@H](C#N)C1	ZINC000368816357	989010877	/nfs/dbraw/zinc/01/08/77/989010877.db2.gz	JYDJCMWRPPZDEM-NXHRZFHOSA-N	1	0	356.474	1.141	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H]2CC(=O)N(c3cccc(OC)c3)C2)CC1	ZINC000369077187	989023794	/nfs/dbraw/zinc/02/37/94/989023794.db2.gz	ULQCWESXSMCWLP-INIZCTEOSA-N	1	0	372.469	1.750	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC)c(C#N)c2)CC1	ZINC000873706653	989028799	/nfs/dbraw/zinc/02/87/99/989028799.db2.gz	QFZAGEFRIFZNSR-UHFFFAOYSA-N	1	0	356.426	1.662	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1	ZINC000369228711	989036395	/nfs/dbraw/zinc/03/63/95/989036395.db2.gz	BWTJNRXOYULDFR-SFHVURJKSA-N	1	0	371.485	1.509	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C(=O)Nc3ccccn3)C2)CC1	ZINC000363295584	989068068	/nfs/dbraw/zinc/06/80/68/989068068.db2.gz	IGCISOIIUNAHHD-KRWDZBQOSA-N	1	0	354.454	1.604	20	30		FDEDRO
C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1=O	ZINC000363302323	989074770	/nfs/dbraw/zinc/07/47/70/989074770.db2.gz	PWXQAFXVDVLNBL-QRVBRYPASA-N	1	0	368.481	1.695	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)NCc1cccc(C(=O)N[C@H](C)CC)c1	ZINC000296269238	989085061	/nfs/dbraw/zinc/08/50/61/989085061.db2.gz	MEUIBFBLRDIZQG-MRXNPFEDSA-N	1	0	358.486	1.969	20	30		FDEDRO
C[C@@H]1[C@H](O)CCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000296400656	989179677	/nfs/dbraw/zinc/17/96/77/989179677.db2.gz	USOKMTDSSKYSKL-AYOQOUSVSA-N	1	0	374.460	1.380	20	30		FDEDRO
N#Cc1ccccc1/C=C/C(=O)NC1CC[NH+](CC(=O)N2CCCC2)CC1	ZINC000363439478	989201393	/nfs/dbraw/zinc/20/13/93/989201393.db2.gz	HKZGTKKTMISERY-BQYQJAHWSA-N	1	0	366.465	1.774	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)c1	ZINC000363540249	989280065	/nfs/dbraw/zinc/28/00/65/989280065.db2.gz	UGNXCOJBIUWETA-ZYSHUDEJSA-N	1	0	369.465	1.612	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)nc3)C[C@@H]2[C@H]1c1ccccc1	ZINC000363555210	989293140	/nfs/dbraw/zinc/29/31/40/989293140.db2.gz	FBSIRSNNIXELCK-AYOQOUSVSA-N	1	0	368.462	1.877	20	30		FDEDRO
C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(F)c1	ZINC000873852710	989327056	/nfs/dbraw/zinc/32/70/56/989327056.db2.gz	UYYLNRGKUNEGRS-CQSZACIVSA-N	1	0	360.433	1.386	20	30		FDEDRO
C[C@@H](NC(=O)N1CCCN(c2ncccc2C#N)CC1)C1=CC[N@H+](C)CC1	ZINC000369994016	989367594	/nfs/dbraw/zinc/36/75/94/989367594.db2.gz	FCJPHJSMENIIFG-MRXNPFEDSA-N	1	0	368.485	1.825	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCC(NC(=O)c2ccccc2)CC1	ZINC000296796063	989417138	/nfs/dbraw/zinc/41/71/38/989417138.db2.gz	HVSKDIGCNGPERV-UHFFFAOYSA-N	1	0	356.470	1.546	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)NC[C@]1(COC)OCCc2ccccc21	ZINC000297167808	989487402	/nfs/dbraw/zinc/48/74/02/989487402.db2.gz	RYRBHLSASFSJSS-HXUWFJFHSA-N	1	0	359.470	1.355	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1C#N	ZINC000873956288	989526439	/nfs/dbraw/zinc/52/64/39/989526439.db2.gz	KJKCZLXKDOLDKV-MRXNPFEDSA-N	1	0	356.426	1.638	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)C1=O	ZINC000370242926	989585460	/nfs/dbraw/zinc/58/54/60/989585460.db2.gz	LCZZGMFPHQGOBM-GJZGRUSLSA-N	1	0	368.466	1.774	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCCN(C(=O)c2ccc[nH]2)CC1	ZINC000364524232	989620940	/nfs/dbraw/zinc/62/09/40/989620940.db2.gz	MRRMNJOBPHBTJH-INIZCTEOSA-N	1	0	371.485	1.894	20	30		FDEDRO
CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N(C)C[C@H](C)C#N	ZINC000297722751	989658317	/nfs/dbraw/zinc/65/83/17/989658317.db2.gz	JTIDCNNRQROQPN-MJGOQNOKSA-N	1	0	370.497	1.975	20	30		FDEDRO
Cn1cc(CN2CCN(C(=O)C[NH+](C)C)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000370336417	989670397	/nfs/dbraw/zinc/67/03/97/989670397.db2.gz	XEZVFMOSSPZNRN-UHFFFAOYSA-N	1	0	366.469	1.165	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1	ZINC000297819584	989709951	/nfs/dbraw/zinc/70/99/51/989709951.db2.gz	PYSJHIVOHRFXJX-AEFFLSMTSA-N	1	0	359.470	1.779	20	30		FDEDRO
CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)Oc3ccc(C#N)cc3)C2)CC1	ZINC000370422748	989731268	/nfs/dbraw/zinc/73/12/68/989731268.db2.gz	GJYZKIFLZRHZOS-MJGOQNOKSA-N	1	0	370.497	1.952	20	30		FDEDRO
C#CCN(C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1	ZINC000297937084	989784911	/nfs/dbraw/zinc/78/49/11/989784911.db2.gz	TXGGOTXTVKABFO-RBUKOAKNSA-N	1	0	353.466	1.591	20	30		FDEDRO
C[C@@H](C#N)CN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000297991313	989823664	/nfs/dbraw/zinc/82/36/64/989823664.db2.gz	VDSIMCXLVBBWBT-HNNXBMFYSA-N	1	0	355.442	1.067	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3cc(C#N)cn3C(C)(C)C)CC[C@H]21	ZINC000874173781	989879127	/nfs/dbraw/zinc/87/91/27/989879127.db2.gz	IOXQWKKZXNHARD-LSDHHAIUSA-N	1	0	357.458	1.606	20	30		FDEDRO
CN(C(=O)COc1ccccc1C#N)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000370829366	990023502	/nfs/dbraw/zinc/02/35/02/990023502.db2.gz	GAWNXBCHZKUPPF-SFHVURJKSA-N	1	0	356.470	1.564	20	30		FDEDRO
C=C(C)COc1cc(CN2CCN3C(=O)N(C)C(=O)[C@H]3C2)ccc1OC	ZINC000371396574	990401413	/nfs/dbraw/zinc/40/14/13/990401413.db2.gz	KQXQLGHWKXCUON-OAHLLOKOSA-N	1	0	359.426	1.728	20	30		FDEDRO
C[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccc(OCC#N)cc1	ZINC000371479824	990461024	/nfs/dbraw/zinc/46/10/24/990461024.db2.gz	JYTLYCFKDLKLIJ-ZBQZNYHESA-N	1	0	356.426	1.960	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3cc(C#N)ccc3F)C2)C1	ZINC000968717052	1015565626	/nfs/dbraw/zinc/56/56/26/1015565626.db2.gz	PGWKUTDSMRAETR-SRCQZFHVSA-N	1	0	358.417	1.303	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cnc(OC)nc2C)C1	ZINC000968717460	1015565696	/nfs/dbraw/zinc/56/56/96/1015565696.db2.gz	VYLPBLPFGLWRPA-ZACQAIPSSA-N	1	0	360.458	1.465	20	30		FDEDRO
C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)C[C@@H]1CCCN1c1cccnn1	ZINC000371549412	990515972	/nfs/dbraw/zinc/51/59/72/990515972.db2.gz	STKHLLPCYNFKBH-ZWKOTPCHSA-N	1	0	367.453	1.689	20	30		FDEDRO
COCC[N@H+]1[C@H](C)CN(C(=O)NCCNc2ccc(C#N)cn2)C[C@@H]1C	ZINC000825747868	990524355	/nfs/dbraw/zinc/52/43/55/990524355.db2.gz	ATOYHQOMGIQRED-GASCZTMLSA-N	1	0	360.462	1.116	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](C)C	ZINC000874993620	990694428	/nfs/dbraw/zinc/69/44/28/990694428.db2.gz	FWPFUJNHKKRWOO-MSOLQXFVSA-N	1	0	359.470	1.122	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000875040324	990777768	/nfs/dbraw/zinc/77/77/68/990777768.db2.gz	KZZUZNQRFFTHHE-KRWDZBQOSA-N	1	0	365.518	1.855	20	30		FDEDRO
C[C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C)n1cnc(C#N)n1	ZINC000409737189	990787780	/nfs/dbraw/zinc/78/77/80/990787780.db2.gz	AWIXLGCHUUNWCU-CVEARBPZSA-N	1	0	352.442	1.834	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN([C@H]3CCN(c4sccc4C#N)C3=O)CC2)C1	ZINC000371923142	990826779	/nfs/dbraw/zinc/82/67/79/990826779.db2.gz	NFCQMFYZPFKIBE-SJORKVTESA-N	1	0	373.526	1.437	20	30		FDEDRO
COc1cc(/C=C/C(=O)N2CCN([C@@H]3CCOC3)CC2)ccc1OCC#N	ZINC000372111190	990926613	/nfs/dbraw/zinc/92/66/13/990926613.db2.gz	OYSHFMIBEBLXLN-NJELEJDNSA-N	1	0	371.437	1.544	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1	ZINC000875136055	990945836	/nfs/dbraw/zinc/94/58/36/990945836.db2.gz	DSMLPWBCIBGGTD-MOPGFXCFSA-N	1	0	371.481	1.403	20	30		FDEDRO
CN1CCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@@H]1C#N	ZINC000372208158	990961111	/nfs/dbraw/zinc/96/11/11/990961111.db2.gz	AEKPVTDCRWOYON-OALUTQOASA-N	1	0	355.486	1.748	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)C1	ZINC000372217041	990965908	/nfs/dbraw/zinc/96/59/08/990965908.db2.gz	KOMMXCSEWCZWDE-QEEYODRMSA-N	1	0	367.453	1.526	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)CN2CCCC[C@@H]2C(=[NH2+])NO)c(OC)c1	ZINC000372309008	991007074	/nfs/dbraw/zinc/00/70/74/991007074.db2.gz	MHAIUOOATZJGOD-HZPDHXFCSA-N	1	0	363.458	1.974	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCC(=O)Nc1ccc(C#N)cc1	ZINC000372339897	991024438	/nfs/dbraw/zinc/02/44/38/991024438.db2.gz	XDYMMVVMBCHPOR-MNEFBYGVSA-N	1	0	356.470	1.976	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000875603931	991792760	/nfs/dbraw/zinc/79/27/60/991792760.db2.gz	GOUSMYFWLQUCLH-RBUKOAKNSA-N	1	0	371.481	1.121	20	30		FDEDRO
N#Cc1ccc(Cn2cc(NC(=O)NCC[N@@H+]3CCCOCC3)cn2)cc1	ZINC000875618326	991813688	/nfs/dbraw/zinc/81/36/88/991813688.db2.gz	IAOYDUILUKOSPZ-UHFFFAOYSA-N	1	0	368.441	1.647	20	30		FDEDRO
C=C(C)CN(C)C(=O)C(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1	ZINC000410816799	991908324	/nfs/dbraw/zinc/90/83/24/991908324.db2.gz	WFMGGBXXNBMLFT-UHFFFAOYSA-N	1	0	372.513	1.297	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1	ZINC000876072614	992278899	/nfs/dbraw/zinc/27/88/99/992278899.db2.gz	YVBHQZSWINICMF-GUDVDZBRSA-N	1	0	360.502	1.779	20	30		FDEDRO
Cc1occc1-c1cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)no1	ZINC000411397127	992379159	/nfs/dbraw/zinc/37/91/59/992379159.db2.gz	GXTGPJKKJRBRCE-UHFFFAOYSA-N	1	0	373.413	1.876	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N(C)c1cc([N+](=O)[O-])cc(N2CC[NH+](CC)CC2)c1	ZINC000876228228	992490134	/nfs/dbraw/zinc/49/01/34/992490134.db2.gz	NGMKUVLYTLCCSP-OAHLLOKOSA-N	1	0	374.441	1.738	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1	ZINC000876279595	992520342	/nfs/dbraw/zinc/52/03/42/992520342.db2.gz	RACYRYMISKHUSG-SFHVURJKSA-N	1	0	356.470	1.514	20	30		FDEDRO
COC[C@@]1(C[NH+](C)C)COCCN1C(=O)C[C@@H](CC#N)c1ccccc1	ZINC000876477050	992652691	/nfs/dbraw/zinc/65/26/91/992652691.db2.gz	ZZFUQSLGIXDSSS-QUCCMNQESA-N	1	0	359.470	1.880	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(CCCOCC(F)(F)F)CC1	ZINC000876620825	992747529	/nfs/dbraw/zinc/74/75/29/992747529.db2.gz	QAIGSLXLWNXIGC-LBPRGKRZSA-N	1	0	357.804	1.570	20	30		FDEDRO
C[C@H]1CN(C(=O)c2ccccc2OCC#N)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000374286416	992753145	/nfs/dbraw/zinc/75/31/45/992753145.db2.gz	GCNSPKMJWAHOFP-FUHWJXTLSA-N	1	0	356.470	1.687	20	30		FDEDRO
C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCC(C#N)(c2ccccn2)CC1	ZINC000374295162	992756542	/nfs/dbraw/zinc/75/65/42/992756542.db2.gz	TVRQBOBPCHCVCJ-OAHLLOKOSA-N	1	0	369.469	1.064	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](Cc2ccc(OC)c(Cn3cccn3)c2)CC1	ZINC000876634321	992759025	/nfs/dbraw/zinc/75/90/25/992759025.db2.gz	OINZPHULOHRAJT-UHFFFAOYSA-N	1	0	366.465	1.901	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](NC(=O)c2cccc3nccn32)[C@@H](O)C1	ZINC000968834779	1015733686	/nfs/dbraw/zinc/73/36/86/1015733686.db2.gz	YJBLFGULAFOLRH-WTANOLMUSA-N	1	0	356.426	1.238	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCN(C[C@@H]2CCCO2)CC1	ZINC000876709581	992815015	/nfs/dbraw/zinc/81/50/15/992815015.db2.gz	VHLQNZLYVQZDCB-HKUYNNGSSA-N	1	0	354.454	1.068	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1	ZINC000876753374	992874558	/nfs/dbraw/zinc/87/45/58/992874558.db2.gz	DTXPORCBVYMSJN-HIFRSBDPSA-N	1	0	356.898	1.048	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](Cc1ccccc1)CN1CCOCC1	ZINC000876759688	992882068	/nfs/dbraw/zinc/88/20/68/992882068.db2.gz	QFBAGNYNIHHDDD-SJORKVTESA-N	1	0	351.878	1.516	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1	ZINC000876777662	992902590	/nfs/dbraw/zinc/90/25/90/992902590.db2.gz	TWNDTWNRZSPRQD-OLZOCXBDSA-N	1	0	371.869	1.281	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](C)N1CCN(c2ccccc2)CC1	ZINC000876780002	992905004	/nfs/dbraw/zinc/90/50/04/992905004.db2.gz	AKDNJBCRZBHHEB-RDJZCZTQSA-N	1	0	350.894	1.783	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)CC1	ZINC000374703502	992924290	/nfs/dbraw/zinc/92/42/90/992924290.db2.gz	MAYQVSNDXHUQOH-FUHWJXTLSA-N	1	0	365.518	1.894	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1	ZINC000876894796	992954128	/nfs/dbraw/zinc/95/41/28/992954128.db2.gz	XLBOGCZYBLTWPM-HOTGVXAUSA-N	1	0	365.861	1.043	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccccc1CN1CCN(C(C)=O)CC1	ZINC000876895494	992955310	/nfs/dbraw/zinc/95/53/10/992955310.db2.gz	CEDJRVHMFMZNTF-MRXNPFEDSA-N	1	0	364.877	1.759	20	30		FDEDRO
N#CC1(NC(=O)CCN2C(=O)CCC2=O)CC[NH+](Cc2ccccc2)CC1	ZINC000374883745	992963444	/nfs/dbraw/zinc/96/34/44/992963444.db2.gz	ZGPSAQOIDAGYQP-UHFFFAOYSA-N	1	0	368.437	1.200	20	30		FDEDRO
CC(C)NC(=O)[C@H]1CCCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876976076	992992897	/nfs/dbraw/zinc/99/28/97/992992897.db2.gz	MYLODAIAFCYLPZ-WMZOPIPTSA-N	1	0	354.454	1.508	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CC[NH2+]C23CCC3)ccc1F	ZINC000877002859	993003784	/nfs/dbraw/zinc/00/37/84/993003784.db2.gz	FBWXDFCVBHANBW-HNNXBMFYSA-N	1	0	367.446	1.304	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)ccc1F	ZINC000877048754	993029857	/nfs/dbraw/zinc/02/98/57/993029857.db2.gz	QMGOOKFXNPWHEJ-WCQYABFASA-N	1	0	355.435	1.160	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCCC[C@@H]([NH3+])C2)s1	ZINC000877125617	993061350	/nfs/dbraw/zinc/06/13/50/993061350.db2.gz	QUNMLTQUWOZWPY-CYBMUJFWSA-N	1	0	371.528	1.485	20	30		FDEDRO
C=C(Cl)C[C@@H](NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)C(=O)OCC	ZINC000877144352	993069174	/nfs/dbraw/zinc/06/91/74/993069174.db2.gz	LAIMYPQTCGXPMT-NWDGAFQWSA-N	1	0	355.826	1.007	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(CCC[NH2+]Cc2cccc(C#N)n2)CC1	ZINC000877146277	993070113	/nfs/dbraw/zinc/07/01/13/993070113.db2.gz	QSZYKBQVINGCKS-UHFFFAOYSA-N	1	0	359.474	1.986	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ccc(F)cc3)C2=O)CC1	ZINC000413232805	993172983	/nfs/dbraw/zinc/17/29/83/993172983.db2.gz	HCEWOHHTDYBJRP-KRWDZBQOSA-N	1	0	360.433	1.881	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)s1	ZINC000877387036	993264634	/nfs/dbraw/zinc/26/46/34/993264634.db2.gz	XQCLBCGQJXSPSY-BBRMVZONSA-N	1	0	369.512	1.156	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC[C@@H]1C[NH3+]	ZINC000923698942	993346303	/nfs/dbraw/zinc/34/63/03/993346303.db2.gz	GVBBBHRGVGVMCF-GHMZBOCLSA-N	1	0	372.288	1.926	20	30		FDEDRO
CCOC(=O)Cn1cc(C[N@@H+]2CC[C@](O)(CC#N)C2)c(-c2ccccc2)n1	ZINC000877605319	993374411	/nfs/dbraw/zinc/37/44/11/993374411.db2.gz	AGBIHCQCDXLUCR-HXUWFJFHSA-N	1	0	368.437	1.964	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cn(-c3cccc(OC)c3)nn2)CC1	ZINC000826014517	993627879	/nfs/dbraw/zinc/62/78/79/993627879.db2.gz	YBANRBJUIPOPDQ-UHFFFAOYSA-N	1	0	353.426	1.493	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Cc2csc(S[C@@H](C)C(N)=O)n2)CC1	ZINC000878750966	994193718	/nfs/dbraw/zinc/19/37/18/994193718.db2.gz	PMAFXSSSWYOTQI-NSHDSACASA-N	1	0	368.528	1.418	20	30		FDEDRO
CC(=O)[C@@](C#N)(CCN1CCN(CC[NH+](C)C)C(=O)C1)c1ccccc1	ZINC000878802894	994243517	/nfs/dbraw/zinc/24/35/17/994243517.db2.gz	UDZFCASZNXTMKZ-FQEVSTJZSA-N	1	0	356.470	1.133	20	30		FDEDRO
C[NH+](C)CCn1ccc(NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)n1	ZINC000878809459	994249527	/nfs/dbraw/zinc/24/95/27/994249527.db2.gz	UGAWMYVNJUKTDD-UHFFFAOYSA-N	1	0	368.445	1.065	20	30		FDEDRO
CC(=O)[C@](C#N)(CCN1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccccc1	ZINC000878993855	994421564	/nfs/dbraw/zinc/42/15/64/994421564.db2.gz	OOMQEOHAMVEJTO-NHCUHLMSSA-N	1	0	355.482	1.958	20	30		FDEDRO
N#CCCc1ccc(S(=O)(=O)NCCCCCN2CC[NH2+]CC2)cc1	ZINC000923679998	994435067	/nfs/dbraw/zinc/43/50/67/994435067.db2.gz	PHEYYFMFWCTGEM-UHFFFAOYSA-N	1	0	364.515	1.497	20	30		FDEDRO
C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	ZINC000968917177	1015862634	/nfs/dbraw/zinc/86/26/34/1015862634.db2.gz	PPXZVRFKYFABLE-MCIONIFRSA-N	1	0	350.381	1.880	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCn2nc(C(F)(F)F)cc2C)CC1	ZINC000924385235	994609221	/nfs/dbraw/zinc/60/92/21/994609221.db2.gz	YIKFVSGCNKQEGW-UHFFFAOYSA-N	1	0	357.380	1.607	20	30		FDEDRO
COc1ccc([C@H]2CN(CC(=O)NCc3cccc(C#N)c3)CC[NH2+]2)cc1	ZINC000879520153	994973336	/nfs/dbraw/zinc/97/33/36/994973336.db2.gz	BPHLVPLLPVONQB-HXUWFJFHSA-N	1	0	364.449	1.830	20	30		FDEDRO
COc1cccc([C@@H]2CN(CC(=O)NCc3cccc(C#N)c3)CC[NH2+]2)c1	ZINC000879524956	994977135	/nfs/dbraw/zinc/97/71/35/994977135.db2.gz	GQUWRTIOKQQMNX-FQEVSTJZSA-N	1	0	364.449	1.830	20	30		FDEDRO
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)cc1	ZINC000879532471	994984570	/nfs/dbraw/zinc/98/45/70/994984570.db2.gz	YPBRCAKEYSBWJE-OIISXLGYSA-N	1	0	368.437	1.177	20	30		FDEDRO
Cc1oc(NC(=O)[C@H](C)N2CCC([NH+]3CCN(C)CC3)CC2)c(C#N)c1C	ZINC000879593581	995064377	/nfs/dbraw/zinc/06/43/77/995064377.db2.gz	ZZDOXIUIZFJOGA-HNNXBMFYSA-N	1	0	373.501	1.807	20	30		FDEDRO
C[C@H](C#N)CN(C)C(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000924878538	995090054	/nfs/dbraw/zinc/09/00/54/995090054.db2.gz	GVKWOIPFDNYJMP-CQSZACIVSA-N	1	0	367.494	1.777	20	30		FDEDRO
C#C[C@H](C)N(C)C(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000924883772	995095940	/nfs/dbraw/zinc/09/59/40/995095940.db2.gz	UGEQGZJSYBWMQF-AWEZNQCLSA-N	1	0	352.479	1.639	20	30		FDEDRO
CCC(O)(CC)C(C)(C)[NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000879698266	995197059	/nfs/dbraw/zinc/19/70/59/995197059.db2.gz	VHWKQPZLNBNJKD-INIZCTEOSA-N	1	0	352.523	1.598	20	30		FDEDRO
C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@H](O)CN(C)C	ZINC000924995687	995221750	/nfs/dbraw/zinc/22/17/50/995221750.db2.gz	XXKJTSZDWABOGO-HOTGVXAUSA-N	1	0	368.522	1.818	20	30		FDEDRO
C=CCC[C@H]1NC(=O)N(Cc2ccc(CN3CC[NH+](C)CC3)cc2)C1=O	ZINC000925274366	995443218	/nfs/dbraw/zinc/44/32/18/995443218.db2.gz	AJDAAVKLMPYWHJ-GOSISDBHSA-N	1	0	356.470	1.821	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C2)cc1	ZINC000879973862	995497906	/nfs/dbraw/zinc/49/79/06/995497906.db2.gz	DQVKFKSBBJAOAB-YSTOQKLRSA-N	1	0	371.481	1.723	20	30		FDEDRO
C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1cn(C)nn1	ZINC000925924787	995831574	/nfs/dbraw/zinc/83/15/74/995831574.db2.gz	MGTINZWLWJJEMB-HNNXBMFYSA-N	1	0	367.457	1.665	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1	ZINC000926171600	995956104	/nfs/dbraw/zinc/95/61/04/995956104.db2.gz	YSJZUSKLBBAIQC-BNDYYXHWSA-N	1	0	356.466	1.908	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)CNc1ccc(C#N)cc1)C2	ZINC000926179774	995962459	/nfs/dbraw/zinc/96/24/59/995962459.db2.gz	LFZQLTMCJILRHD-IZBJGVDFSA-N	1	0	356.470	1.566	20	30		FDEDRO
CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3cc(O)cc(C#N)c3)C2)[C@H]1C(C)C	ZINC000926245483	995993898	/nfs/dbraw/zinc/99/38/98/995993898.db2.gz	WIYGBPIAJAQTDX-SOAMZJECSA-N	1	0	357.454	1.863	20	30		FDEDRO
CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3cnn(CCC#N)c3C)C2)[C@@H]1C(C)C	ZINC000926252240	995998384	/nfs/dbraw/zinc/99/83/84/995998384.db2.gz	CFZCRBXZYQGLOI-FTEYMNFISA-N	1	0	373.501	1.705	20	30		FDEDRO
N#Cc1cccc(CN2CCC([NH2+][C@@H]3C(=O)NCC34CCOCC4)CC2)c1	ZINC000926662416	996260782	/nfs/dbraw/zinc/26/07/82/996260782.db2.gz	QKMYZPSOGAQGQY-LJQANCHMSA-N	1	0	368.481	1.407	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)OC(C)(C)C)CCO2	ZINC000926857358	996345311	/nfs/dbraw/zinc/34/53/11/996345311.db2.gz	CNQZRKBFXLKDIC-SFHVURJKSA-N	1	0	353.463	1.343	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1Cl	ZINC000887032716	996843472	/nfs/dbraw/zinc/84/34/72/996843472.db2.gz	MFRHQNIDHVSLGO-JTQLQIEISA-N	1	0	356.760	1.511	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N2c3ccccc3NC(=O)C2(C)C)CCOCC1	ZINC000887123260	996953586	/nfs/dbraw/zinc/95/35/86/996953586.db2.gz	HIYSPPNXSABNKK-UHFFFAOYSA-N	1	0	355.438	1.912	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[N@@H+](C3CC3)C[C@@H](C)C2)CC1	ZINC000333410087	997213278	/nfs/dbraw/zinc/21/32/78/997213278.db2.gz	KBFWWKZBHCMMMP-HKUYNNGSSA-N	1	0	361.534	1.095	20	30		FDEDRO
COc1ccc([C@@H](C[NH+]=C(N(C)C)N(C)C)N2CCOCC2)cc1OC	ZINC000264062021	997392293	/nfs/dbraw/zinc/39/22/93/997392293.db2.gz	CWEJUMKNARRQSE-MRXNPFEDSA-N	1	0	364.490	1.556	20	30		FDEDRO
CN(C)[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)c1ccc(F)cc1	ZINC000264066326	997393305	/nfs/dbraw/zinc/39/33/05/997393305.db2.gz	BIJXGGBPRNTUCC-KRWDZBQOSA-N	1	0	371.464	1.355	20	30		FDEDRO
Cc1ccc([C@H](CNC(=[NH2+])N2CCN(c3ncccn3)CC2)N(C)C)cc1	ZINC000264123731	997407222	/nfs/dbraw/zinc/40/72/22/997407222.db2.gz	VRTXMLYAUPQFJV-SFHVURJKSA-N	1	0	367.501	1.525	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(CNC(=[NH2+])N3CCOCC3)cc2)C[C@@H](C)O1	ZINC000264136359	997411400	/nfs/dbraw/zinc/41/14/00/997411400.db2.gz	ZTCABPOZLLIGDX-HUUCEWRRSA-N	1	0	360.458	1.083	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])N2CCN(c3ncccn3)CC2)cc1F	ZINC000264251262	997439120	/nfs/dbraw/zinc/43/91/20/997439120.db2.gz	HHCVIXSMHMQCLH-UHFFFAOYSA-N	1	0	358.421	1.304	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000264383922	997491732	/nfs/dbraw/zinc/49/17/32/997491732.db2.gz	DIKZQKSOIXIIAB-HZPDHXFCSA-N	1	0	361.442	1.897	20	30		FDEDRO
C[NH+]=C(NCCc1coc(-c2ccc(C)cc2)n1)NCCN1CCOCC1	ZINC000264999084	997671762	/nfs/dbraw/zinc/67/17/62/997671762.db2.gz	UVTVCWCWVYSWHL-UHFFFAOYSA-N	1	0	371.485	1.690	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000265412804	997783962	/nfs/dbraw/zinc/78/39/62/997783962.db2.gz	NDJYQTNPVDRCFW-RAJOGRCSSA-N	1	0	362.474	1.674	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](C)CN2CCN(c3ccccn3)CC2)CC1	ZINC000265479740	997800679	/nfs/dbraw/zinc/80/06/79/997800679.db2.gz	SDUDZXALIJDFGA-SFHVURJKSA-N	1	0	369.513	1.054	20	30		FDEDRO
C#CCC1(NC(=O)Nc2ccc(N3CCOCC3)nc2C)CCOCC1	ZINC000887907875	997936566	/nfs/dbraw/zinc/93/65/66/997936566.db2.gz	CBPBZSIJNCEUGB-UHFFFAOYSA-N	1	0	358.442	1.921	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)C[C@]2(C)C1	ZINC000887926606	997956262	/nfs/dbraw/zinc/95/62/62/997956262.db2.gz	QEZVYDQIKPQGBF-QINHECLXSA-N	1	0	356.445	1.934	20	30		FDEDRO
COc1cc(C#N)ccc1OCCCC(=O)N1CCN(C)CC[N@H+](C)CC1	ZINC000888995586	998102493	/nfs/dbraw/zinc/10/24/93/998102493.db2.gz	VTNRLDBZKANUPH-UHFFFAOYSA-N	1	0	374.485	1.432	20	30		FDEDRO
C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)Nc2cccc(CC#N)n2)C1	ZINC000889866539	998712970	/nfs/dbraw/zinc/71/29/70/998712970.db2.gz	IMBLPGCBSBPLNQ-GASCZTMLSA-N	1	0	371.485	1.959	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1C1CC1	ZINC000889937432	998734972	/nfs/dbraw/zinc/73/49/72/998734972.db2.gz	AQRCQKCNJJUEEU-DLBZAZTESA-N	1	0	368.437	1.354	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1	ZINC000890371470	998917608	/nfs/dbraw/zinc/91/76/08/998917608.db2.gz	WBUJOVIUSFCAIU-CTNGQTDRSA-N	1	0	370.497	1.020	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)n1	ZINC000890391165	998927421	/nfs/dbraw/zinc/92/74/21/998927421.db2.gz	WHKDZZYLBTXMOR-OAHLLOKOSA-N	1	0	355.442	1.324	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCC1=O	ZINC001110863731	999072748	/nfs/dbraw/zinc/07/27/48/999072748.db2.gz	UOQCKSLCOLEHDL-WWNBULGVSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCOCC[NH+]1CCC2(CC1)CN(C(=O)[C@]13C[C@H]1COC3)C[C@@H](C)O2	ZINC001111544545	999096626	/nfs/dbraw/zinc/09/66/26/999096626.db2.gz	WVCKUDNHMWHELX-UWVAXJGDSA-N	1	0	364.486	1.307	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3cccn3)nc1)C2	ZINC001110876088	999098112	/nfs/dbraw/zinc/09/81/12/999098112.db2.gz	AFLBOBKTQNMQOU-KURKYZTESA-N	1	0	367.453	1.805	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1	ZINC000266594527	999196784	/nfs/dbraw/zinc/19/67/84/999196784.db2.gz	VISODFCZBXTYAN-CQSZACIVSA-N	1	0	361.417	1.624	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1	ZINC000266782920	999232853	/nfs/dbraw/zinc/23/28/53/999232853.db2.gz	KFRVBOXXNJQAHF-KRWDZBQOSA-N	1	0	358.486	1.381	20	30		FDEDRO
C[C@@H]1C(=O)Nc2cc(C(=O)N(CCC#N)CCC[NH+](C)C)ccc2N1C	ZINC000267340550	999315841	/nfs/dbraw/zinc/31/58/41/999315841.db2.gz	JUGJGNHOZRSQQT-CQSZACIVSA-N	1	0	357.458	1.771	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCCc1ccn(-c2ccc(F)cc2)n1	ZINC000267440952	999335822	/nfs/dbraw/zinc/33/58/22/999335822.db2.gz	PBUBUVSLILMJOB-UHFFFAOYSA-N	1	0	374.464	1.181	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCCCOC2CCOCC2)cc1OC	ZINC000267460071	999341769	/nfs/dbraw/zinc/34/17/69/999341769.db2.gz	UVRNJPLXCAMTCV-UHFFFAOYSA-N	1	0	365.474	1.736	20	30		FDEDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1	ZINC000267792216	999394901	/nfs/dbraw/zinc/39/49/01/999394901.db2.gz	VLJQSKRTYXYBSJ-INIZCTEOSA-N	1	0	368.403	1.602	20	30		FDEDRO
CCOC(=O)CNC(=O)C1CC[NH+](Cc2ccc(OCC#N)cc2)CC1	ZINC000269625503	999470703	/nfs/dbraw/zinc/47/07/03/999470703.db2.gz	GAKIKMGYCPPTLB-UHFFFAOYSA-N	1	0	359.426	1.480	20	30		FDEDRO
N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CC[NH+](C3CCCC3)CC1)CC2	ZINC000270214819	999526268	/nfs/dbraw/zinc/52/62/68/999526268.db2.gz	RHAIANMFHCGAMW-UHFFFAOYSA-N	1	0	352.438	1.534	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)nn1CCC#N	ZINC000270983704	999645011	/nfs/dbraw/zinc/64/50/11/999645011.db2.gz	CBOLDCQJKDKQEL-MRXNPFEDSA-N	1	0	374.489	1.670	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)nn1CCC#N	ZINC000271005630	999648250	/nfs/dbraw/zinc/64/82/50/999648250.db2.gz	IGASXBBFGUKWNW-UKRRQHHQSA-N	1	0	360.462	1.280	20	30		FDEDRO
CCC(CC)[C@H](CNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1)[NH+](C)C	ZINC000271086602	999658963	/nfs/dbraw/zinc/65/89/63/999658963.db2.gz	SUHOOHFWYDENRZ-HNNXBMFYSA-N	1	0	362.478	1.526	20	30		FDEDRO
C[C@H](C[C@H](C)[NH2+]CCNC(=O)C1N=CC=CC1=O)NC(=O)OC(C)(C)C	ZINC000271430280	999701795	/nfs/dbraw/zinc/70/17/95/999701795.db2.gz	DORMDMUINHGKRW-UBQVSUSGSA-N	1	0	366.462	1.794	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccccc2-n2ccnc2)CC1	ZINC000284290926	999798911	/nfs/dbraw/zinc/79/89/11/999798911.db2.gz	BBGFTMUOEHPUQZ-UHFFFAOYSA-N	1	0	367.453	1.255	20	30		FDEDRO
CO[C@H]1C[C@@H](CN(C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[N@H+](C)C1	ZINC000285000017	999892677	/nfs/dbraw/zinc/89/26/77/999892677.db2.gz	YVDUHEWTCMJRJF-FHWLQOOXSA-N	1	0	356.470	1.705	20	30		FDEDRO
CC[N@H+](CCO)CCNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1	ZINC000286076959	999936657	/nfs/dbraw/zinc/93/66/57/999936657.db2.gz	MWOLOCYQYHXYAC-UHFFFAOYSA-N	1	0	362.449	1.344	20	30		FDEDRO
C=CCOc1ccc(/C=C/C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1OC	ZINC000286209409	999942818	/nfs/dbraw/zinc/94/28/18/999942818.db2.gz	SNFRTWGAZBNEQJ-FZMUQLTDSA-N	1	0	371.481	1.779	20	30		FDEDRO
CO/N=C(/C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)c1ccco1	ZINC000286240174	999943033	/nfs/dbraw/zinc/94/30/33/999943033.db2.gz	RUDFVUKXNLYIIF-AYZAHSFUSA-N	1	0	359.430	1.563	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCc2cccc3[nH]ccc32)CC1	ZINC000286375683	999944121	/nfs/dbraw/zinc/94/41/21/999944121.db2.gz	CPXOSWSLWSVPBO-UHFFFAOYSA-N	1	0	368.481	1.983	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C[C@H](C)O)c2ccccc2)CC1	ZINC000286419998	999944319	/nfs/dbraw/zinc/94/43/19/999944319.db2.gz	FSMHRQKGFOJWLW-FUHWJXTLSA-N	1	0	373.497	1.424	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CC1	ZINC000286425112	999944330	/nfs/dbraw/zinc/94/43/30/999944330.db2.gz	GCLRIXFKCVJHCA-UHFFFAOYSA-N	1	0	358.486	1.478	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](CCCO)c2ccccc2)CC1	ZINC000286471019	999944692	/nfs/dbraw/zinc/94/46/92/999944692.db2.gz	ISCNKSZVKCUMGM-IBGZPJMESA-N	1	0	373.497	1.773	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](CCOC)c2ccco2)CC1	ZINC000286608568	999945566	/nfs/dbraw/zinc/94/55/66/999945566.db2.gz	LEITUWMMFHEEQB-MRXNPFEDSA-N	1	0	363.458	1.630	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CCOC)Cc2ccco2)CC1	ZINC000286667135	999945961	/nfs/dbraw/zinc/94/59/61/999945961.db2.gz	OEAISTNOMVONKZ-UHFFFAOYSA-N	1	0	363.458	1.411	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCO[C@H](Cc3ccccc3)C2)CC1	ZINC000286756726	999949224	/nfs/dbraw/zinc/94/92/24/999949224.db2.gz	TVIFZQHSKFRQHG-LJQANCHMSA-N	1	0	371.481	1.223	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NCCCCC#N	ZINC000286829403	999951978	/nfs/dbraw/zinc/95/19/78/999951978.db2.gz	XZHCHPCVPZWPEZ-UHFFFAOYSA-N	1	0	366.412	1.665	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1	ZINC000287384206	999957321	/nfs/dbraw/zinc/95/73/21/999957321.db2.gz	OSPOJPMZLYGXBO-INIZCTEOSA-N	1	0	359.470	1.668	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21	ZINC000287499121	999958283	/nfs/dbraw/zinc/95/82/83/999958283.db2.gz	VSFWVEAMMFRRDQ-WBVHZDCISA-N	1	0	357.454	1.420	20	30		FDEDRO
C=CCCCCNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1	ZINC000288205440	999996737	/nfs/dbraw/zinc/99/67/37/999996737.db2.gz	TVNRUJHKEASZRU-GOSISDBHSA-N	1	0	359.470	1.342	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1	ZINC000288439456	1000017089	/nfs/dbraw/zinc/01/70/89/1000017089.db2.gz	NYJMXMIICQQGSH-MKXGPGLRSA-N	1	0	371.481	1.645	20	30		FDEDRO
COc1cncc(CON=C(N)c2ccccc2C[NH+]2CCC(O)CC2)c1	ZINC000288522870	1000023692	/nfs/dbraw/zinc/02/36/92/1000023692.db2.gz	HAASXIMSEJZDPW-UHFFFAOYSA-N	1	0	370.453	1.884	20	30		FDEDRO
C[C@@H](CCNC(=O)C(=O)N(C)Cc1cccc(C#N)c1)[NH+]1CCCCC1	ZINC000290278111	1000129618	/nfs/dbraw/zinc/12/96/18/1000129618.db2.gz	APFJABHGVLEYTE-INIZCTEOSA-N	1	0	356.470	1.897	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)CC2)c1C#N	ZINC000290815225	1000161058	/nfs/dbraw/zinc/16/10/58/1000161058.db2.gz	WFFCJZURNVQZGG-GXTWGEPZSA-N	1	0	374.514	1.780	20	30		FDEDRO
COCC1(CNC(=[NH2+])NCCc2ccc(OC)c(OC)c2)CCOCC1	ZINC000291926306	1000200687	/nfs/dbraw/zinc/20/06/87/1000200687.db2.gz	NXOREJSKMIFSJK-UHFFFAOYSA-N	1	0	365.474	1.594	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292537425	1000240786	/nfs/dbraw/zinc/24/07/86/1000240786.db2.gz	JEWUFUSTEUGRJF-XOKHGSTOSA-N	1	0	355.442	1.599	20	30		FDEDRO
C#CCN(C(=O)NCCc1cccc2c1OCCO2)C1CC[NH+](C)CC1	ZINC000927553861	1000909369	/nfs/dbraw/zinc/90/93/69/1000909369.db2.gz	BKNOSZPYBNTQAQ-UHFFFAOYSA-N	1	0	357.454	1.739	20	30		FDEDRO
C#CC[C@@H]1NC(=O)N(C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)C1=O	ZINC000927726403	1000999683	/nfs/dbraw/zinc/99/96/83/1000999683.db2.gz	ZWXSKXGLCBIEGO-SFHVURJKSA-N	1	0	368.437	1.553	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)N(C)C	ZINC001110928700	1001003878	/nfs/dbraw/zinc/00/38/78/1001003878.db2.gz	AQVJKWOCFILSNM-ZACQAIPSSA-N	1	0	369.531	1.183	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)cc21	ZINC000927798872	1001057798	/nfs/dbraw/zinc/05/77/98/1001057798.db2.gz	XAGAXKHWAVIWPP-ZBFHGGJFSA-N	1	0	353.426	1.514	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)cc21	ZINC000927800808	1001060146	/nfs/dbraw/zinc/06/01/46/1001060146.db2.gz	MZVOVDBLEMGRSK-GDBMZVCRSA-N	1	0	353.426	1.371	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cncc(O)c1	ZINC000927801817	1001061521	/nfs/dbraw/zinc/06/15/21/1001061521.db2.gz	ACZDBEBXKGZQAP-UHFFFAOYSA-N	1	0	353.426	1.932	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CC[C@H](C)[C@H](C[NH3+])C3)cc21	ZINC000927803491	1001063368	/nfs/dbraw/zinc/06/33/68/1001063368.db2.gz	PTVXXNBXAHEYDC-DZGCQCFKSA-N	1	0	355.442	1.604	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1	ZINC000927846224	1001108175	/nfs/dbraw/zinc/10/81/75/1001108175.db2.gz	CISHDTOHAJNRPW-GHMZBOCLSA-N	1	0	358.295	1.374	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1	ZINC000927847304	1001111572	/nfs/dbraw/zinc/11/15/72/1001111572.db2.gz	VGCDKOFAELRGPF-NEPJUHHUSA-N	1	0	369.343	1.375	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c(Cl)c1	ZINC000927849250	1001115675	/nfs/dbraw/zinc/11/56/75/1001115675.db2.gz	PIQLMYWQFMWXHK-KOLCDFICSA-N	1	0	374.750	1.888	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)CC1	ZINC000928652748	1001609888	/nfs/dbraw/zinc/60/98/88/1001609888.db2.gz	KRHFDVJTCGJQHW-SFHVURJKSA-N	1	0	369.465	1.859	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C[C@@H](CNC(=O)OC(C)(C)C)OC)CC1	ZINC000928652888	1001609904	/nfs/dbraw/zinc/60/99/04/1001609904.db2.gz	QNHHTTYSKRIPJM-HNNXBMFYSA-N	1	0	353.463	1.130	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)CC1	ZINC000928654015	1001610586	/nfs/dbraw/zinc/61/05/86/1001610586.db2.gz	KGCSQTXTKJQBIE-HXUWFJFHSA-N	1	0	355.482	1.398	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(OC)cc2)CC1	ZINC000928655151	1001611095	/nfs/dbraw/zinc/61/10/95/1001611095.db2.gz	LWVWAUAXIWUZKB-ICSRJNTNSA-N	1	0	369.465	1.428	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cc3nc(C)cc(C(F)(F)F)n3n2)CC1	ZINC000928659882	1001615114	/nfs/dbraw/zinc/61/51/14/1001615114.db2.gz	COIFNCNJGDPPJJ-UHFFFAOYSA-N	1	0	365.359	1.884	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1C#N	ZINC000929106914	1001753315	/nfs/dbraw/zinc/75/33/15/1001753315.db2.gz	ZSTMCUZLBRUNGD-UHFFFAOYSA-N	1	0	356.470	1.908	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCC1(c2ccccc2)CC1)C1CC[NH+](C)CC1	ZINC000929281663	1001899584	/nfs/dbraw/zinc/89/95/84/1001899584.db2.gz	PDNMOBDFDBZOMU-UHFFFAOYSA-N	1	0	353.466	1.390	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COC1CCOCC1	ZINC001110967049	1001965205	/nfs/dbraw/zinc/96/52/05/1001965205.db2.gz	QDTRZCRVCIKVDI-JFRXWTBNSA-N	1	0	366.502	1.621	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C#N	ZINC000929403881	1002011191	/nfs/dbraw/zinc/01/11/91/1002011191.db2.gz	KNVOZZDWKSGBPV-IYBDPMFKSA-N	1	0	370.497	1.967	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC000948205395	1002176326	/nfs/dbraw/zinc/17/63/26/1002176326.db2.gz	VYUPUPPLTAMPEH-QGPMSJSTSA-N	1	0	371.485	1.726	20	30		FDEDRO
N#CC1CCC(C[NH+]2CCN(c3cc(N4CCOCC4)ncn3)CC2)CC1	ZINC000929686923	1002344000	/nfs/dbraw/zinc/34/40/00/1002344000.db2.gz	DHYXXAWQUCMJHZ-UHFFFAOYSA-N	1	0	370.501	1.765	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1	ZINC000948458499	1002362852	/nfs/dbraw/zinc/36/28/52/1002362852.db2.gz	QWFLPHWIXBKLAQ-RHSMWYFYSA-N	1	0	371.485	1.728	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC000948570016	1002458017	/nfs/dbraw/zinc/45/80/17/1002458017.db2.gz	AFUJNFBEJPHTDE-KBRIMQKVSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2cnnn2CC)CC1	ZINC000948785518	1002689921	/nfs/dbraw/zinc/68/99/21/1002689921.db2.gz	LRANNINGJOJIQS-NXHRZFHOSA-N	1	0	361.490	1.702	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCC2(OC)CCCCCC2)CC1	ZINC000930007215	1002729517	/nfs/dbraw/zinc/72/95/17/1002729517.db2.gz	LRTBZBQYAPXXIU-UHFFFAOYSA-N	1	0	351.491	1.609	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn3ccc(C)nc13)C2	ZINC001111284257	1002733040	/nfs/dbraw/zinc/73/30/40/1002733040.db2.gz	NRNOUODUJQCSNA-OIISXLGYSA-N	1	0	355.442	1.575	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2nc3c(s2)CCC3)CC1	ZINC000930009646	1002733603	/nfs/dbraw/zinc/73/36/03/1002733603.db2.gz	OEOVVCSBZHQRKS-UHFFFAOYSA-N	1	0	362.499	1.405	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1	ZINC000948848390	1002755392	/nfs/dbraw/zinc/75/53/92/1002755392.db2.gz	BDMYISXTRPNVEU-WSTZPKSXSA-N	1	0	368.481	1.547	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@](C)(OC)c1ccccc1)C2	ZINC001111285397	1002760576	/nfs/dbraw/zinc/76/05/76/1002760576.db2.gz	MFYBUTAXYGDYSS-WERVVEIQSA-N	1	0	356.466	1.920	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1	ZINC000949001160	1002917669	/nfs/dbraw/zinc/91/76/69/1002917669.db2.gz	QUBIRTNRMBXDFI-BZSNNMDCSA-N	1	0	363.502	1.274	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC(CNC(=O)c3cc(C#N)c[nH]3)CC2)CC[N@@H+]1C	ZINC000949010453	1002928436	/nfs/dbraw/zinc/92/84/36/1002928436.db2.gz	FGDRBFLBAKOSJR-FUHWJXTLSA-N	1	0	371.485	1.585	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H]1CCO[C@@H](CC(C)C)C1)C1CC[NH+](C)CC1	ZINC000930266526	1002983884	/nfs/dbraw/zinc/98/38/84/1002983884.db2.gz	XUHLUHBZKHSFNJ-WMZOPIPTSA-N	1	0	363.502	1.252	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCOC2(CC[NH+](C[C@@H](C)OC)CC2)C1	ZINC000949095470	1002985404	/nfs/dbraw/zinc/98/54/04/1002985404.db2.gz	MYGMYKHYVWURMM-KURKYZTESA-N	1	0	366.502	1.696	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NC1CCC(C)([NH+]2CCCC2)CC1	ZINC000930295016	1003003399	/nfs/dbraw/zinc/00/33/99/1003003399.db2.gz	BWCJZWRJEURAFN-UHFFFAOYSA-N	1	0	351.491	1.609	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1	ZINC000949140838	1003031492	/nfs/dbraw/zinc/03/14/92/1003031492.db2.gz	SYEFAKSGJANPDH-LZQZEXGQSA-N	1	0	369.465	1.370	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C	ZINC000949184174	1003068576	/nfs/dbraw/zinc/06/85/76/1003068576.db2.gz	HVVGEGNLALSYIR-AYOQOUSVSA-N	1	0	353.466	1.125	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@@H](O)C1	ZINC000966062410	1016720598	/nfs/dbraw/zinc/72/05/98/1016720598.db2.gz	KNDKPLHWFLUTSH-OAGGEKHMSA-N	1	0	351.491	1.151	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)cc1	ZINC000949208442	1003102194	/nfs/dbraw/zinc/10/21/94/1003102194.db2.gz	PSOLYTZBYVEGFG-VQIMIIECSA-N	1	0	371.481	1.924	20	30		FDEDRO
C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1OCC[C@@H]1c1ccccc1)CCO2	ZINC000949209524	1003103599	/nfs/dbraw/zinc/10/35/99/1003103599.db2.gz	GJXBAUOMMQWDSD-WOJBJXKFSA-N	1	0	368.477	1.886	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](NC(=O)[C@H]3CCCC[N@H+]3CC)[C@@H](O)C2)CC1	ZINC000966082192	1016727956	/nfs/dbraw/zinc/72/79/56/1016727956.db2.gz	XLSNOROCDAKBKZ-KURKYZTESA-N	1	0	363.502	1.295	20	30		FDEDRO
N#Cc1ccc(OC2CC[NH+](C[C@H](O)C[C@@]3(O)CCOC3)CC2)c(F)c1	ZINC000930464034	1003165288	/nfs/dbraw/zinc/16/52/88/1003165288.db2.gz	GARRTQXWOFXPFQ-BEFAXECRSA-N	1	0	364.417	1.443	20	30		FDEDRO
N#Cc1ccc(OC2CC[NH+](C[C@@H](O)C3(O)CCOCC3)CC2)c(F)c1	ZINC000930468130	1003169418	/nfs/dbraw/zinc/16/94/18/1003169418.db2.gz	WFSNXVYJNSAMCA-GOSISDBHSA-N	1	0	364.417	1.443	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1	ZINC000966231338	1016757047	/nfs/dbraw/zinc/75/70/47/1016757047.db2.gz	CNXCBAVSIYRJRI-ZACQAIPSSA-N	1	0	365.518	1.255	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC1)C[N@H+](C[C@@H](C)O)CCO2	ZINC000949492740	1003395624	/nfs/dbraw/zinc/39/56/24/1003395624.db2.gz	ICAFMRPTUSGZBS-IKGGRYGDSA-N	1	0	352.475	1.042	20	30		FDEDRO
CC[NH+]1CCN(c2cccc(NC(=O)N3CCO[C@](C)(C#N)C3)c2)CC1	ZINC000930894629	1003640356	/nfs/dbraw/zinc/64/03/56/1003640356.db2.gz	SAHYYNODMVKURG-LJQANCHMSA-N	1	0	357.458	1.975	20	30		FDEDRO
CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[N@@H+]2CCC[C@@H](CC#N)C2)CCC1	ZINC000930924692	1003668369	/nfs/dbraw/zinc/66/83/69/1003668369.db2.gz	RASRLLQOGRWNSD-GJZGRUSLSA-N	1	0	357.520	1.614	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1	ZINC000931001314	1003756957	/nfs/dbraw/zinc/75/69/57/1003756957.db2.gz	VQZSBRGEDNVTOS-MRXNPFEDSA-N	1	0	372.444	1.837	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@@H](C)C(=O)N(CC)CC)c1	ZINC001111002126	1003757819	/nfs/dbraw/zinc/75/78/19/1003757819.db2.gz	WCMQPJLBSUCXOM-PIKADFDJSA-N	1	0	368.481	1.655	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3cccc(C)n3)C2)CC1	ZINC000949864911	1003758884	/nfs/dbraw/zinc/75/88/84/1003758884.db2.gz	OAXMVTGSHKLKMA-DNVCBOLYSA-N	1	0	368.481	1.312	20	30		FDEDRO
CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1)[NH+]1CCCC1	ZINC000949890393	1003781822	/nfs/dbraw/zinc/78/18/22/1003781822.db2.gz	UOLYJHFKUYOPSW-ZTFGCOKTSA-N	1	0	371.485	1.583	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1	ZINC000931132610	1003914599	/nfs/dbraw/zinc/91/45/99/1003914599.db2.gz	CBUSRVOTTJQMJR-UHFFFAOYSA-N	1	0	362.499	1.957	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H](CF)c1ccc(F)cc1)C1CC[NH+](C)CC1	ZINC000931154732	1003928214	/nfs/dbraw/zinc/92/82/14/1003928214.db2.gz	VXWQRRXVQDWKRC-KRWDZBQOSA-N	1	0	363.408	1.509	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC([N@@H+]2CCCOCC2)CC1	ZINC000931293371	1004032862	/nfs/dbraw/zinc/03/28/62/1004032862.db2.gz	YNBQQPCRPXVQFU-KRWDZBQOSA-N	1	0	362.518	1.904	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)c1	ZINC000931591653	1004295382	/nfs/dbraw/zinc/29/53/82/1004295382.db2.gz	DKKULINYYZKZAP-UHFFFAOYSA-N	1	0	372.444	1.790	20	30		FDEDRO
COc1ccccc1C[C@@](C)(CO)[NH2+]CC(=O)NCc1ccc(C#N)cc1	ZINC000931602966	1004306220	/nfs/dbraw/zinc/30/62/20/1004306220.db2.gz	KJJWOCXANMRNHK-NRFANRHFSA-N	1	0	367.449	1.766	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1	ZINC000931746315	1004470574	/nfs/dbraw/zinc/47/05/74/1004470574.db2.gz	NEEDWPSQBZVCSG-UHFFFAOYSA-N	1	0	366.487	1.450	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)CCOCC1	ZINC000931909071	1004599109	/nfs/dbraw/zinc/59/91/09/1004599109.db2.gz	OYIFIGDKPASUBJ-DYXWJJEUSA-N	1	0	356.466	1.958	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ocnc1C1CC1)C2	ZINC001111020923	1004631884	/nfs/dbraw/zinc/63/18/84/1004631884.db2.gz	KUZCBGHZKDFFSV-MYPMTAMASA-N	1	0	358.442	1.578	20	30		FDEDRO
CN(C(=O)C[N@@H+]1CCC[C@@H]([C@@]2(C)COC(=O)N2)C1)C1(C#N)CCCCC1	ZINC000932030139	1004718482	/nfs/dbraw/zinc/71/84/82/1004718482.db2.gz	SCSMAADDWHLKJR-CRAIPNDOSA-N	1	0	362.474	1.882	20	30		FDEDRO
CCN1CC[NH+](CCCCNC(=O)Nc2cnc(OC)c(C#N)c2)CC1	ZINC000932509959	1004993047	/nfs/dbraw/zinc/99/30/47/1004993047.db2.gz	POLLROQGYPHKGM-UHFFFAOYSA-N	1	0	360.462	1.501	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC([C@@H]3COC(=O)N3)CC2)cc1	ZINC000932770833	1005159631	/nfs/dbraw/zinc/15/96/31/1005159631.db2.gz	NLEGMHZUOSUBGP-WMZOPIPTSA-N	1	0	359.426	1.313	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)cc1	ZINC000933057229	1005336732	/nfs/dbraw/zinc/33/67/32/1005336732.db2.gz	XZDFAAPVVRUVKQ-ROUUACIJSA-N	1	0	360.454	1.498	20	30		FDEDRO
COC(=O)[C@@H]1CC[N@H+](CCC(=O)N(C)CCC#N)[C@@H]([C@@H]2CCCO2)C1	ZINC000933183981	1005510903	/nfs/dbraw/zinc/51/09/03/1005510903.db2.gz	TYHNQZRBGNPZOX-OAGGEKHMSA-N	1	0	351.447	1.181	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCC[C@@H]1CCC(C)(C)CO1)C1CC[NH+](C)CC1	ZINC000933357859	1005546002	/nfs/dbraw/zinc/54/60/02/1005546002.db2.gz	NEIILIJIRRGTAI-KRWDZBQOSA-N	1	0	363.502	1.254	20	30		FDEDRO
COc1ccc(C[C@@](C)(CO)[NH2+]CC(=O)NCc2ccc(C#N)cc2)cc1	ZINC000933424673	1005555593	/nfs/dbraw/zinc/55/55/93/1005555593.db2.gz	BGSZIWZNOYBMBS-NRFANRHFSA-N	1	0	367.449	1.766	20	30		FDEDRO
C[N@H+](C[C@H](O)CC1(C#N)CCOCC1)C[C@H]1CCN1C(=O)OC(C)(C)C	ZINC000933464621	1005562182	/nfs/dbraw/zinc/56/21/82/1005562182.db2.gz	KKSDYABNAJXCLV-HZPDHXFCSA-N	1	0	367.490	1.999	20	30		FDEDRO
N#Cc1cccc(NC(=O)CC[NH+]2CCC(CN3CCNC3=O)CC2)c1	ZINC000933586124	1005583960	/nfs/dbraw/zinc/58/39/60/1005583960.db2.gz	KJXYPOCUTWEIJP-UHFFFAOYSA-N	1	0	355.442	1.624	20	30		FDEDRO
COC(=O)CCN1CC[C@@H]([NH+]2CCC(c3ccc(C#N)cc3)CC2)C1=O	ZINC000933607537	1005588281	/nfs/dbraw/zinc/58/82/81/1005588281.db2.gz	RLJBKDIIKKTSOD-GOSISDBHSA-N	1	0	355.438	1.902	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)CN2CCO[C@H](c3ccc(C#N)cc3)C2)CC1	ZINC000933626561	1005591629	/nfs/dbraw/zinc/59/16/29/1005591629.db2.gz	DUDPTHKCWKJXMM-FQEVSTJZSA-N	1	0	370.497	1.921	20	30		FDEDRO
NS(=O)(=O)c1ccc(CC[NH+]2CCC3(CC2)CC(=O)C=CO3)cc1	ZINC000933649300	1005598483	/nfs/dbraw/zinc/59/84/83/1005598483.db2.gz	YPCLLAXWGCCTKI-UHFFFAOYSA-N	1	0	350.440	1.214	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCOC[C@H]2C[C@@H]2CCOC2)cc1	ZINC000933666013	1005602912	/nfs/dbraw/zinc/60/29/12/1005602912.db2.gz	LAKUKUNDYUAHQH-IPMKNSEASA-N	1	0	360.454	1.620	20	30		FDEDRO
COC(=O)[C@H]1C[N@H+](CCO[C@H](C)C#N)CC12CN(C(=O)OC(C)(C)C)C2	ZINC000934051803	1005680666	/nfs/dbraw/zinc/68/06/66/1005680666.db2.gz	FDKICEQMXQZQOQ-ZIAGYGMSSA-N	1	0	367.446	1.257	20	30		FDEDRO
N#Cc1cccc(-c2nnc(CN3CC[C@@H]4[C@H]3CCC[N@H+]4CCO)o2)c1	ZINC000934257952	1005723027	/nfs/dbraw/zinc/72/30/27/1005723027.db2.gz	DHSWRFIUNZNLSM-IAGOWNOFSA-N	1	0	353.426	1.639	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@H]4[C@@H]3CCCN4CCO)C2=O)cc1	ZINC000934265310	1005725758	/nfs/dbraw/zinc/72/57/58/1005725758.db2.gz	KWTUBFWPUDRFCK-UFYCRDLUSA-N	1	0	368.481	1.585	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3ccccn3)C[C@H]2C)CC1	ZINC000947137512	1005767885	/nfs/dbraw/zinc/76/78/85/1005767885.db2.gz	XRDNLGLDEPLGAD-CRAIPNDOSA-N	1	0	354.454	1.004	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(CN=[S@@](C)(=O)N(C)C)CC1	ZINC000934750147	1005791620	/nfs/dbraw/zinc/79/16/20/1005791620.db2.gz	MBTDVLQIYRGTKY-JBEBIEQOSA-N	1	0	357.524	1.033	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@@H]3CSC[C@]3(C)C2)CC1	ZINC000934771867	1005797994	/nfs/dbraw/zinc/79/79/94/1005797994.db2.gz	ZDEFMUCNMSIAIT-RYRKJORJSA-N	1	0	350.532	1.364	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCS(=O)(=O)CC1)C2	ZINC001111083070	1005811049	/nfs/dbraw/zinc/81/10/49/1005811049.db2.gz	QBIITJMKLWEXJF-DZUCGIPZSA-N	1	0	354.516	1.887	20	30		FDEDRO
N#CC1(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CCSCC1	ZINC000934915558	1005816543	/nfs/dbraw/zinc/81/65/43/1005816543.db2.gz	ZHEWWROUAHEWNO-HOTGVXAUSA-N	1	0	351.516	1.907	20	30		FDEDRO
COc1cc(C#N)ccc1C(=O)NCc1ccnc(OCC[NH+](C)C)c1	ZINC000935148056	1005856839	/nfs/dbraw/zinc/85/68/39/1005856839.db2.gz	UJZRSYXFGBQKAE-UHFFFAOYSA-N	1	0	354.410	1.832	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCOc3ccccc3)=[NH+]C[C@H]2C1	ZINC000089120048	1006010320	/nfs/dbraw/zinc/01/03/20/1006010320.db2.gz	VZBNXJTXOAJISG-HNNXBMFYSA-N	1	0	360.458	1.946	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(CCO)CCNc2nc(Cl)c(C#N)s2)CC[N@@H+]1C	ZINC001111576542	1006333811	/nfs/dbraw/zinc/33/38/11/1006333811.db2.gz	NOASEEMCFYFZFA-GHMZBOCLSA-N	1	0	371.894	1.241	20	30		FDEDRO
CNC(=O)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)CC1	ZINC001111140063	1006400586	/nfs/dbraw/zinc/40/05/86/1006400586.db2.gz	WAVAJIZGKBMAFO-ZACQAIPSSA-N	1	0	352.438	1.306	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@@H](CC)[NH+](C)C)C1	ZINC000954377771	1006644157	/nfs/dbraw/zinc/64/41/57/1006644157.db2.gz	AGGYDVFOVKBGEF-BBWFWOEESA-N	1	0	351.491	1.367	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)C=CC(=O)Nc2ccc3n[nH]cc3c2)CC1	ZINC000778780733	1006804996	/nfs/dbraw/zinc/80/49/96/1006804996.db2.gz	QTMJUSFGBGPVBR-VOTSOKGWSA-N	1	0	365.437	1.662	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)C23CCC[NH+](CCC2)C3)C1	ZINC000954643516	1006933364	/nfs/dbraw/zinc/93/33/64/1006933364.db2.gz	DYAFUJQNTOFRDV-SJORKVTESA-N	1	0	361.486	1.123	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1	ZINC000954751203	1006994968	/nfs/dbraw/zinc/99/49/68/1006994968.db2.gz	GOAONBYIYULWPG-JQHSSLGASA-N	1	0	363.502	1.369	20	30		FDEDRO
C=CCNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@]1(C)c1ccccc1	ZINC001114589024	1007052012	/nfs/dbraw/zinc/05/20/12/1007052012.db2.gz	CICOLHOJRGPIDO-JFQNMGATSA-N	1	0	353.466	1.313	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3cccnc3)C[C@H]2C)CC1	ZINC000947176375	1007100970	/nfs/dbraw/zinc/10/09/70/1007100970.db2.gz	YEROWUSLNNYRJL-CRAIPNDOSA-N	1	0	354.454	1.004	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@@]23CC[N@H+](C2)CCC3)C1	ZINC000954938495	1007144079	/nfs/dbraw/zinc/14/40/79/1007144079.db2.gz	UMGMAZNGMBLMHP-ZWOKBUDYSA-N	1	0	361.486	1.123	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000956804722	1007151617	/nfs/dbraw/zinc/15/16/17/1007151617.db2.gz	ULXVDSYHKQHFSF-GMBSWORKSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1	ZINC000641841161	1007189276	/nfs/dbraw/zinc/18/92/76/1007189276.db2.gz	NDABEAOSYCOGQY-RBUKOAKNSA-N	1	0	364.534	1.781	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1CCCC)C2	ZINC001111262593	1007329437	/nfs/dbraw/zinc/32/94/37/1007329437.db2.gz	YNAQZVKKBHBGRY-AKHDSKFASA-N	1	0	374.529	1.112	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncsc1C(C)C)C2	ZINC001111267849	1007404158	/nfs/dbraw/zinc/40/41/58/1007404158.db2.gz	LFLGUGUPQILMEJ-MCIONIFRSA-N	1	0	360.483	1.351	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@](C)(NC(=O)[C@@H]3C[C@H]3C3CCC3)C2)CC1	ZINC000957007967	1007505021	/nfs/dbraw/zinc/50/50/21/1007505021.db2.gz	KKBNLDLGFKKIMH-NNMXDRDESA-N	1	0	371.525	1.875	20	30		FDEDRO
C[N@@H+]1CCN(CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H]1C(C)(C)C	ZINC000639745729	1007542328	/nfs/dbraw/zinc/54/23/28/1007542328.db2.gz	POUGZGYRSQTHKX-GOSISDBHSA-N	1	0	353.466	1.948	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2	ZINC000956112544	1007885667	/nfs/dbraw/zinc/88/56/67/1007885667.db2.gz	MEBBHSJJJRENMO-ULQDDVLXSA-N	1	0	361.486	1.171	20	30		FDEDRO
C=C1CCC(C(=O)N2CCC[C@H]2CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1	ZINC000956198343	1007939278	/nfs/dbraw/zinc/93/92/78/1007939278.db2.gz	SHPPLQBTYQXOTN-BPQIPLTHSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1(C)CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000956385747	1008076237	/nfs/dbraw/zinc/07/62/37/1008076237.db2.gz	MXPRQVWNGRUZGI-SJORKVTESA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1	ZINC000643494640	1008118217	/nfs/dbraw/zinc/11/82/17/1008118217.db2.gz	SBSAEFIRQRZZPF-WMZOPIPTSA-N	1	0	357.454	1.420	20	30		FDEDRO
C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000249175117	1008120428	/nfs/dbraw/zinc/12/04/28/1008120428.db2.gz	LZDOGXAOZIWPNF-SWLSCSKDSA-N	1	0	362.405	1.465	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C)(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1	ZINC000956455831	1008162883	/nfs/dbraw/zinc/16/28/83/1008162883.db2.gz	SDMOBCIURIODIN-IKGGRYGDSA-N	1	0	363.502	1.559	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1	ZINC000949951309	1008553929	/nfs/dbraw/zinc/55/39/29/1008553929.db2.gz	HINASMZPDBYDNP-QGPMSJSTSA-N	1	0	371.485	1.726	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3ccn(C)c3C)C[C@H]2C)CC1	ZINC000958638049	1008884328	/nfs/dbraw/zinc/88/43/28/1008884328.db2.gz	LTXDDUROQMNUEB-DNVCBOLYSA-N	1	0	370.497	1.255	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C	ZINC000649187434	1008966794	/nfs/dbraw/zinc/96/67/94/1008966794.db2.gz	QCLIZIYCZBLBRP-INIZCTEOSA-N	1	0	367.453	1.068	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1	ZINC000950432151	1009165996	/nfs/dbraw/zinc/16/59/96/1009165996.db2.gz	NBMGHVFZPLDEMW-QRVBRYPASA-N	1	0	371.481	1.670	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C[C@H]1C	ZINC000950498213	1009232208	/nfs/dbraw/zinc/23/22/08/1009232208.db2.gz	ZBTMGUWHZBKXCJ-SSZIBAPDSA-N	1	0	369.509	1.339	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC000950674015	1009498939	/nfs/dbraw/zinc/49/89/39/1009498939.db2.gz	QMKIMOHFBQFMMN-KBRIMQKVSA-N	1	0	357.458	1.337	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC000950674016	1009499474	/nfs/dbraw/zinc/49/94/74/1009499474.db2.gz	QMKIMOHFBQFMMN-XOKHGSTOSA-N	1	0	357.458	1.337	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC000960136132	1009572936	/nfs/dbraw/zinc/57/29/36/1009572936.db2.gz	FUYMFEFHHGBORI-OTWHNJEPSA-N	1	0	368.481	1.753	20	30		FDEDRO
CCCCNC(=[NH2+])NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1	ZINC000303789974	1009584280	/nfs/dbraw/zinc/58/42/80/1009584280.db2.gz	WAHJOJAPHGFDML-INIZCTEOSA-N	1	0	364.490	1.782	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCC(=O)Nc2ccccc2)CC1	ZINC000303869125	1009644701	/nfs/dbraw/zinc/64/47/01/1009644701.db2.gz	DPBGOYGITDHZFJ-UHFFFAOYSA-N	1	0	361.446	1.493	20	30		FDEDRO
C[C@@H]1CCCN(C(=[NH2+])NCc2cccnc2N2CCC(C(N)=O)CC2)C1	ZINC000303971321	1009782911	/nfs/dbraw/zinc/78/29/11/1009782911.db2.gz	DIULDGKMMFMMOE-CQSZACIVSA-N	1	0	358.490	1.330	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CN(C(C)=O)CCO1)C2	ZINC001111337112	1009998751	/nfs/dbraw/zinc/99/87/51/1009998751.db2.gz	MKMVEMICNZMYHP-AKHDSKFASA-N	1	0	363.502	1.702	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3ccc(C)cc3)C[C@H]2C)CC1	ZINC000959612588	1010117094	/nfs/dbraw/zinc/11/70/94/1010117094.db2.gz	TXCZIBDFGAJWKO-YLJYHZDGSA-N	1	0	367.493	1.917	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C1	ZINC000960407598	1010142279	/nfs/dbraw/zinc/14/22/79/1010142279.db2.gz	DUEKFHOYUTYNJS-QLFBSQMISA-N	1	0	369.893	1.155	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1	ZINC000951925972	1011138111	/nfs/dbraw/zinc/13/81/11/1011138111.db2.gz	CEKTYJDFZOKISE-KSZLIROESA-N	1	0	363.502	1.415	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1	ZINC000952067254	1011202057	/nfs/dbraw/zinc/20/20/57/1011202057.db2.gz	SCOAKLQKIDJYFJ-ZACQAIPSSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1	ZINC000952067490	1011203023	/nfs/dbraw/zinc/20/30/23/1011203023.db2.gz	YFIWYLCJBRQUQF-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(Cc3cc(F)ccc3OC)CC2)CC1	ZINC000194494743	1011207071	/nfs/dbraw/zinc/20/70/71/1011207071.db2.gz	AXNUILCUTUIKBW-UHFFFAOYSA-N	1	0	373.472	1.824	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2cnns2)C1	ZINC000962401290	1011231998	/nfs/dbraw/zinc/23/19/98/1011231998.db2.gz	QUONCHXOCUFWJC-BGHVQYPCSA-N	1	0	350.488	1.894	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2ccc(C#N)cc2)O1	ZINC000960715394	1011238231	/nfs/dbraw/zinc/23/82/31/1011238231.db2.gz	BSUBEILKMUCFRK-NSISKUIASA-N	1	0	370.497	1.700	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C1CC[NH+](C(C)C)CC1	ZINC000952175306	1011374283	/nfs/dbraw/zinc/37/42/83/1011374283.db2.gz	DEGJLHNAFGVROZ-KSZLIROESA-N	1	0	363.502	1.415	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3CCN(C(=O)C#CC4CC4)C3)CC2)CC[N@@H+]1C	ZINC000952289729	1011568916	/nfs/dbraw/zinc/56/89/16/1011568916.db2.gz	TXMTZZDEDAKKDN-NSISKUIASA-N	1	0	371.525	1.827	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(C2)CCCN(C(=O)C#CC2CC2)C3)CC[N@@H+]1C	ZINC000952914025	1012116600	/nfs/dbraw/zinc/11/66/00/1012116600.db2.gz	DRTSPVDBJXXYLE-JQVVWYNYSA-N	1	0	371.525	1.971	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CCC([NH2+]Cc2cnn(C)n2)CC1	ZINC000963338180	1012165485	/nfs/dbraw/zinc/16/54/85/1012165485.db2.gz	ROIXTYXDBTVMMT-SYNTWQANSA-N	1	0	361.490	1.656	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2	ZINC001111407227	1012188985	/nfs/dbraw/zinc/18/89/85/1012188985.db2.gz	OOVRCAAYEWNJNI-MLHJIOFPSA-N	1	0	362.518	1.084	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(N(C)C(=O)C[NH+]2CCCC2)CC1	ZINC000953950682	1012935789	/nfs/dbraw/zinc/93/57/89/1012935789.db2.gz	FIABASSARHBJNP-HKUYNNGSSA-N	1	0	363.502	1.513	20	30		FDEDRO
CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000190613475	178013782	/nfs/dbraw/zinc/01/37/82/178013782.db2.gz	UZZRUOVDVMCACL-CRAIPNDOSA-N	1	0	356.470	1.896	20	30		FDEDRO
C[C@H](CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[N@H+](C)C1CC1	ZINC000192344872	178110493	/nfs/dbraw/zinc/11/04/93/178110493.db2.gz	AFBFKTJNWDGVNS-RDTXWAMCSA-N	1	0	369.469	1.441	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)c1	ZINC000236596210	178276886	/nfs/dbraw/zinc/27/68/86/178276886.db2.gz	QNPWBKBCCZZWAV-LLVKDONJSA-N	1	0	372.288	1.989	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)c1	ZINC000236596178	178277037	/nfs/dbraw/zinc/27/70/37/178277037.db2.gz	QNPWBKBCCZZWAV-NSHDSACASA-N	1	0	372.288	1.989	20	30		FDEDRO
CC[C@@H]1CN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1C[C@H](C)O	ZINC000245523511	178364005	/nfs/dbraw/zinc/36/40/05/178364005.db2.gz	MWXOCSZADUKDOE-HQRMLTQVSA-N	1	0	370.497	1.831	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2CN2CCOCC2)cc1	ZINC000245795333	178381568	/nfs/dbraw/zinc/38/15/68/178381568.db2.gz	FXPJMNDAMTUVEI-RBUKOAKNSA-N	1	0	359.470	1.485	20	30		FDEDRO
N#Cc1ccc(CN2CCC[N@@H+](C[C@@H](O)COC3CCOCC3)CC2)cc1	ZINC000245848092	178384397	/nfs/dbraw/zinc/38/43/97/178384397.db2.gz	ADMNJIIWXUUGCA-HXUWFJFHSA-N	1	0	373.497	1.622	20	30		FDEDRO
N#Cc1ccc(NC(=O)CN2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1	ZINC000245929586	178391426	/nfs/dbraw/zinc/39/14/26/178391426.db2.gz	YFRACDHXQFPUDY-MAUKXSAKSA-N	1	0	352.438	1.972	20	30		FDEDRO
CCN(CC)C(=O)CN1CCC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CC1	ZINC000246082780	178398820	/nfs/dbraw/zinc/39/88/20/178398820.db2.gz	UBVZLHLMDSBFPH-LJQANCHMSA-N	1	0	358.486	1.468	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@H](N2CCOCC2)C[C@@H]1C	ZINC000512433494	538974833	/nfs/dbraw/zinc/97/48/33/538974833.db2.gz	MBYQJBKVMQWOOU-DFQSSKMNSA-N	1	0	360.498	1.950	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@H](N2CCOCC2)C[C@H]1C	ZINC000512433495	538974981	/nfs/dbraw/zinc/97/49/81/538974981.db2.gz	MBYQJBKVMQWOOU-MISYRCLQSA-N	1	0	360.498	1.950	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)C2CCC(NC(=O)C3CCCC3)CC2)CC1	ZINC000517581633	539372281	/nfs/dbraw/zinc/37/22/81/539372281.db2.gz	UTNRYNGXAVGCRO-UHFFFAOYSA-N	1	0	360.502	1.956	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ncc1C#N	ZINC000517586061	539373161	/nfs/dbraw/zinc/37/31/61/539373161.db2.gz	ZOCQAGRERYLZJZ-WMLDXEAASA-N	1	0	367.453	1.676	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000518254713	539402949	/nfs/dbraw/zinc/40/29/49/539402949.db2.gz	HWRNEOHMWXQMBN-IEBWSBKVSA-N	1	0	373.497	1.674	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CCn2c3ccc(Cl)cc3oc2=O)CC1	ZINC000518817254	539449966	/nfs/dbraw/zinc/44/99/66/539449966.db2.gz	KUROKPQXXVOPIS-UHFFFAOYSA-N	1	0	362.817	1.742	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(N2CN=NC2=O)CC1	ZINC000519177108	539474392	/nfs/dbraw/zinc/47/43/92/539474392.db2.gz	TVQHLOJBQXWVBZ-KRWDZBQOSA-N	1	0	358.442	1.789	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	ZINC000520295407	539507841	/nfs/dbraw/zinc/50/78/41/539507841.db2.gz	FRCYXROOIZEVJD-LJQANCHMSA-N	1	0	351.491	1.154	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCN1CCOC1=O	ZINC000264027496	179016450	/nfs/dbraw/zinc/01/64/50/179016450.db2.gz	MOVBPEWSLYKTTB-UHFFFAOYSA-N	1	0	373.457	1.474	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2cc(C#N)ccc2OC)CC1	ZINC000264116301	179030957	/nfs/dbraw/zinc/03/09/57/179030957.db2.gz	UFMCDCWTNSODLM-UHFFFAOYSA-N	1	0	373.457	1.585	20	30		FDEDRO
Cc1n[nH]c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1[N+](=O)[O-]	ZINC000264123936	179031196	/nfs/dbraw/zinc/03/11/96/179031196.db2.gz	DAEZTDNDNQCONP-UHFFFAOYSA-N	1	0	356.386	1.702	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)COc2ccccc2C#N)CC1	ZINC000264371814	179090554	/nfs/dbraw/zinc/09/05/54/179090554.db2.gz	CTCABJUFMCMWBG-SFHVURJKSA-N	1	0	356.470	1.566	20	30		FDEDRO
N#Cc1cccc(OCC[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)c1	ZINC000265509689	179394116	/nfs/dbraw/zinc/39/41/16/179394116.db2.gz	ZJHMBEXRXURDJZ-UHFFFAOYSA-N	1	0	350.422	1.858	20	30		FDEDRO
CC(=O)N[C@@H](CC(=O)NC1(C#N)CC[NH+](C)CC1)c1ccc(F)cc1F	ZINC000525061835	539678500	/nfs/dbraw/zinc/67/85/00/539678500.db2.gz	PNOCBAYWRNJGNX-INIZCTEOSA-N	1	0	364.396	1.636	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000268120030	180001875	/nfs/dbraw/zinc/00/18/75/180001875.db2.gz	FTSWDKZGGWPTGU-YOEHRIQHSA-N	1	0	354.458	1.268	20	30		FDEDRO
C[C@@H]1CN(CC#CCN2C(=O)c3ccccc3C2=O)CC[N@@H+]1CC(C)(C)O	ZINC000528469095	539759684	/nfs/dbraw/zinc/75/96/84/539759684.db2.gz	CACWUIAMXBQTDQ-MRXNPFEDSA-N	1	0	369.465	1.063	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)CN1CCC(CO)([NH2+]CC2CC2)CC1	ZINC000528515711	539765409	/nfs/dbraw/zinc/76/54/09/539765409.db2.gz	ITFZOBJUWXLVRC-SFHVURJKSA-N	1	0	359.470	1.124	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1	ZINC000269008185	180197132	/nfs/dbraw/zinc/19/71/32/180197132.db2.gz	LORZCDOELZDFNC-GDBMZVCRSA-N	1	0	356.426	1.448	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1	ZINC000269091319	180214093	/nfs/dbraw/zinc/21/40/93/180214093.db2.gz	KPQKJSQAJUPAKB-UHFFFAOYSA-N	1	0	364.833	1.377	20	30		FDEDRO
CC1([NH+]2CCOCC2)CCN(CC(=O)NCc2cccc(C#N)c2)CC1	ZINC000528730731	539781251	/nfs/dbraw/zinc/78/12/51/539781251.db2.gz	ZZGDSWOVKRPASB-UHFFFAOYSA-N	1	0	356.470	1.361	20	30		FDEDRO
C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1C#N)N1CC[NH+](C)CC1	ZINC000269773546	180385342	/nfs/dbraw/zinc/38/53/42/180385342.db2.gz	NDYLQYUOWHCDPQ-LBPRGKRZSA-N	1	0	356.879	1.126	20	30		FDEDRO
CS[C@@H]1CN(C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C[C@H]1[NH+](C)C	ZINC000270530475	180494521	/nfs/dbraw/zinc/49/45/21/180494521.db2.gz	VICITZITWNIHBW-HZPDHXFCSA-N	1	0	362.499	1.712	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000530233697	539916445	/nfs/dbraw/zinc/91/64/45/539916445.db2.gz	GGSFESUIZUPBCU-ZWKOTPCHSA-N	1	0	372.469	1.568	20	30		FDEDRO
CS(=O)(=O)CC1CCC([NH2+]C[C@@H](O)COc2ccccc2C#N)CC1	ZINC000530234524	539916704	/nfs/dbraw/zinc/91/67/04/539916704.db2.gz	QPODHMDNXOLQPQ-BDVYOWHSSA-N	1	0	366.483	1.491	20	30		FDEDRO
Cc1cc(N2CCC([NH2+]C[C@H](O)COc3ccccc3C#N)CC2)n[nH]1	ZINC000530232171	539915542	/nfs/dbraw/zinc/91/55/42/539915542.db2.gz	OEUFQJSOMOOUNI-KRWDZBQOSA-N	1	0	355.442	1.588	20	30		FDEDRO
CS[C@@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)C[C@H]1[NH+]1CCCC1	ZINC000274041839	181016152	/nfs/dbraw/zinc/01/61/52/181016152.db2.gz	NGLFGFYDYGLDAN-QXAKKESOSA-N	1	0	361.511	1.810	20	30		FDEDRO
N#Cc1ccc([C@H](C(N)=O)N2CCC[C@@H](c3nnc4n3CCC4)C2)cc1	ZINC000532959431	540191854	/nfs/dbraw/zinc/19/18/54/540191854.db2.gz	LEIXVSWRHYQYQH-NVXWUHKLSA-N	1	0	350.426	1.502	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1	ZINC000532961083	540192152	/nfs/dbraw/zinc/19/21/52/540192152.db2.gz	BVIUEDFVMIPTEH-RBUKOAKNSA-N	1	0	355.486	1.187	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)nn2CCC#N)CC1	ZINC000533319200	540231622	/nfs/dbraw/zinc/23/16/22/540231622.db2.gz	FBNPHSVSYWZGNX-UHFFFAOYSA-N	1	0	358.446	1.200	20	30		FDEDRO
N#Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@@H](Cn4ccnn4)C3)C2=O)cc1	ZINC000533549407	540262203	/nfs/dbraw/zinc/26/22/03/540262203.db2.gz	CGLMNPULXUUMML-NVXWUHKLSA-N	1	0	364.409	1.194	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CCS(=O)(=O)C2CCCC2)c1C#N	ZINC000534795630	540413227	/nfs/dbraw/zinc/41/32/27/540413227.db2.gz	HULGCGMRPLRMRQ-UHFFFAOYSA-N	1	0	367.475	1.119	20	30		FDEDRO
Cc1nc(-c2cccc(C#N)c2)nn1C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000535877620	540524181	/nfs/dbraw/zinc/52/41/81/540524181.db2.gz	WAYTZBWQUFDXLR-SUNYJGFJSA-N	1	0	355.442	1.595	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C1CCOCC1	ZINC000537251525	540706901	/nfs/dbraw/zinc/70/69/01/540706901.db2.gz	IESHFJNJBNKBLG-INIZCTEOSA-N	1	0	362.499	1.568	20	30		FDEDRO
C=CCC[C@H]([NH2+]CC(=O)N1CCN(CC(=O)N(C)C)CC1)c1ccccc1	ZINC000538258471	540833704	/nfs/dbraw/zinc/83/37/04/540833704.db2.gz	ZANBXSKBFBAKNZ-IBGZPJMESA-N	1	0	372.513	1.516	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)CC1	ZINC000538277671	540836058	/nfs/dbraw/zinc/83/60/58/540836058.db2.gz	VDGFEXGIBFXABC-HKUYNNGSSA-N	1	0	374.533	1.789	20	30		FDEDRO
CC[NH+](CC)CC[C@@H](CO)NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C	ZINC000538821415	540895124	/nfs/dbraw/zinc/89/51/24/540895124.db2.gz	JGDXCKQIWNHDTF-HNNXBMFYSA-N	1	0	362.474	1.417	20	30		FDEDRO
C=CC[C@H](CO)CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	ZINC000539312597	540945217	/nfs/dbraw/zinc/94/52/17/540945217.db2.gz	NDDNTNHQGJAKRQ-KRWDZBQOSA-N	1	0	353.507	1.753	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC1([NH+](C)C)CCC1	ZINC000275465523	181325273	/nfs/dbraw/zinc/32/52/73/181325273.db2.gz	NTVFBSHHCUYXSV-AWEZNQCLSA-N	1	0	357.462	1.053	20	30		FDEDRO
COc1cc([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)ccc1OCCO	ZINC000540378349	541052404	/nfs/dbraw/zinc/05/24/04/541052404.db2.gz	GLWIQIWJFNCPJK-ORAYPTAESA-N	1	0	361.442	1.525	20	30		FDEDRO
C[NH+](C)CCOC1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1	ZINC000472148852	781939645	/nfs/dbraw/zinc/93/96/45/781939645.db2.gz	BFNLEHFWSNPZMT-SFHVURJKSA-N	1	0	354.454	1.810	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC1CC[NH+](CC2CC2)CC1	ZINC000540967660	541126133	/nfs/dbraw/zinc/12/61/33/541126133.db2.gz	LGVIBWFEDIHMCZ-UHFFFAOYSA-N	1	0	359.478	1.312	20	30		FDEDRO
C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CCC(CC#N)CC2)c1	ZINC000541042030	541141049	/nfs/dbraw/zinc/14/10/49/541141049.db2.gz	LVUMYYSQIHYXBB-UHFFFAOYSA-N	1	0	358.442	1.718	20	30		FDEDRO
COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCC(CC#N)CC2)c(OC)c1	ZINC000541023902	541138315	/nfs/dbraw/zinc/13/83/15/541138315.db2.gz	YTJXUAGMUJHAAO-MRXNPFEDSA-N	1	0	362.426	1.847	20	30		FDEDRO
CN(C)S(=O)(=O)c1ccc(OCC[NH+]2CCC(CC#N)CC2)cc1	ZINC000541951950	541306057	/nfs/dbraw/zinc/30/60/57/541306057.db2.gz	JCDWEBCZPKORDR-UHFFFAOYSA-N	1	0	351.472	1.941	20	30		FDEDRO
CCC[C@](C)([NH3+])C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1	ZINC000269253008	674108123	/nfs/dbraw/zinc/10/81/23/674108123.db2.gz	NNSVLGAFEJDHPF-SWEXZPIWSA-N	1	0	366.487	1.955	20	30		FDEDRO
C[C@@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1C#N)[NH+]1CCC(C)CC1	ZINC000542830418	541481375	/nfs/dbraw/zinc/48/13/75/541481375.db2.gz	SJYNJMZSYDTNCS-AWEZNQCLSA-N	1	0	361.494	1.558	20	30		FDEDRO
COCCn1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c(C)n1	ZINC000542984115	541514014	/nfs/dbraw/zinc/51/40/14/541514014.db2.gz	DOPRGYSEYNSJRA-UHFFFAOYSA-N	1	0	369.469	1.914	20	30		FDEDRO
COC(=O)c1cn([C@@H]2CC[N@H+](CCC(=O)Nc3cccc(C#N)c3)C2)nn1	ZINC000544895595	541851849	/nfs/dbraw/zinc/85/18/49/541851849.db2.gz	ICOCJDQQOMNQOK-OAHLLOKOSA-N	1	0	368.397	1.212	20	30		FDEDRO
COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2C[C@H](O)COc2ccc(C#N)cc2)O1	ZINC000282497070	182020173	/nfs/dbraw/zinc/02/01/73/182020173.db2.gz	QKISICOUAZDUMJ-KJPFHJLXSA-N	1	0	374.437	1.481	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2ccc(F)c(C#N)c2)c1	ZINC000283794167	182276303	/nfs/dbraw/zinc/27/63/03/182276303.db2.gz	AAAJJWQBHOPGGS-UHFFFAOYSA-N	1	0	368.412	1.919	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1	ZINC000545295598	541928668	/nfs/dbraw/zinc/92/86/68/541928668.db2.gz	DKXHSSFNWNMQIF-OAHLLOKOSA-N	1	0	374.441	1.075	20	30		FDEDRO
C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NCc3cccc(C#N)c3)C2)CC1	ZINC000283962931	182331948	/nfs/dbraw/zinc/33/19/48/182331948.db2.gz	LBMVAYNAOHOVFO-SFHVURJKSA-N	1	0	354.454	1.365	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccc(C#N)cc1	ZINC000284069487	182354311	/nfs/dbraw/zinc/35/43/11/182354311.db2.gz	RHIPFBHENLJTJI-CRAIPNDOSA-N	1	0	354.454	1.822	20	30		FDEDRO
C[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2cccc(C#N)c2)[C@H]1c1ccccc1	ZINC000284080223	182358208	/nfs/dbraw/zinc/35/82/08/182358208.db2.gz	RYOCTGKJKHKXJS-RBUKOAKNSA-N	1	0	362.433	1.736	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[NH+]2CCN(c3cccc(C#N)n3)CC2)cc1	ZINC000546213528	542126490	/nfs/dbraw/zinc/12/64/90/542126490.db2.gz	SNPBMBFIPPRVSP-UHFFFAOYSA-N	1	0	360.421	1.976	20	30		FDEDRO
COC(=O)[C@@]1(C(F)(F)F)CCN(CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000286554239	183095765	/nfs/dbraw/zinc/09/57/65/183095765.db2.gz	ORPIQYVAVALQDJ-MRXNPFEDSA-N	1	0	369.343	1.602	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000546612522	542182436	/nfs/dbraw/zinc/18/24/36/542182436.db2.gz	FBTOHCAJNPZRLL-HOTGVXAUSA-N	1	0	365.441	2.196	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)nc1	ZINC000293164081	183976189	/nfs/dbraw/zinc/97/61/89/183976189.db2.gz	WULZVBFNXORKHQ-UHFFFAOYSA-N	1	0	363.421	1.804	20	30		FDEDRO
CN(CC[NH+](C)C)S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000295305304	184057351	/nfs/dbraw/zinc/05/73/51/184057351.db2.gz	VIIYARAQZUCLTA-UHFFFAOYSA-N	1	0	364.240	1.642	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)NC3CC[NH+](C4CCC4)CC3)CC2)c1	ZINC000297187727	184243364	/nfs/dbraw/zinc/24/33/64/184243364.db2.gz	WQKJPNUBTXDFRZ-UHFFFAOYSA-N	1	0	368.485	1.802	20	30		FDEDRO
COc1cnc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nc1	ZINC000297279592	184253517	/nfs/dbraw/zinc/25/35/17/184253517.db2.gz	ZHOKCEGSPWCIRC-UHFFFAOYSA-N	1	0	354.414	1.953	20	30		FDEDRO
Cc1nsc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1C#N	ZINC000297364091	184262374	/nfs/dbraw/zinc/26/23/74/184262374.db2.gz	HBRAKJQXTQAKGG-ZDUSSCGKSA-N	1	0	362.459	1.094	20	30		FDEDRO
COCCCN(C)C(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000297836657	184338934	/nfs/dbraw/zinc/33/89/34/184338934.db2.gz	NIQCUFQYNCQLDA-UHFFFAOYSA-N	1	0	372.469	1.087	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCC1CC[NH+](C)CC1	ZINC000172331801	258274010	/nfs/dbraw/zinc/27/40/10/258274010.db2.gz	JTGAJBWMYSEUKV-UHFFFAOYSA-N	1	0	358.442	1.744	20	30		FDEDRO
C=CCn1c([C@@H]2COCCO2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1	ZINC000548850658	542791044	/nfs/dbraw/zinc/79/10/44/542791044.db2.gz	TXVVPPFSBZNPIT-SJORKVTESA-N	1	0	361.490	1.864	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCC#Cc2cccc(F)c2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000549590045	542902662	/nfs/dbraw/zinc/90/26/62/542902662.db2.gz	DGXQZDIAICUWIB-YLJYHZDGSA-N	1	0	372.488	1.845	20	30		FDEDRO
C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1	ZINC000549639313	542911235	/nfs/dbraw/zinc/91/12/35/542911235.db2.gz	VHCTVPAIQMDXIN-INIZCTEOSA-N	1	0	360.506	1.867	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1	ZINC000173284889	258295159	/nfs/dbraw/zinc/29/51/59/258295159.db2.gz	WWCBHAXJUPOPLE-IEBWSBKVSA-N	1	0	370.497	1.954	20	30		FDEDRO
C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)C1	ZINC000550519240	543119812	/nfs/dbraw/zinc/11/98/12/543119812.db2.gz	WEGGMZMRQDOQMN-KRWDZBQOSA-N	1	0	366.465	1.638	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]CCCS(=O)(=O)c3ccccc3)cnc12	ZINC000550840796	543185435	/nfs/dbraw/zinc/18/54/35/543185435.db2.gz	UGILNXQBUJKCPZ-UHFFFAOYSA-N	1	0	355.423	1.555	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1	ZINC000550842706	543186101	/nfs/dbraw/zinc/18/61/01/543186101.db2.gz	FHJWOEVIQFSQRN-QGZVFWFLSA-N	1	0	363.421	1.530	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000551009560	543214271	/nfs/dbraw/zinc/21/42/71/543214271.db2.gz	PAOHMBGGWQBKGY-KRWDZBQOSA-N	1	0	361.511	1.803	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](C[NH+](C)C)c1ccc(OC)cc1	ZINC000551226046	543255849	/nfs/dbraw/zinc/25/58/49/543255849.db2.gz	ZRFDAVREANLBQV-YOEHRIQHSA-N	1	0	368.503	1.614	20	30		FDEDRO
Cn1ccnc1CN1CCC[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)C1=O	ZINC000551803187	543343468	/nfs/dbraw/zinc/34/34/68/543343468.db2.gz	LIZJOPHPXJZOJO-INIZCTEOSA-N	1	0	363.425	1.220	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)NCC1([NH+](C)C)CCOCC1	ZINC000073235813	172059382	/nfs/dbraw/zinc/05/93/82/172059382.db2.gz	FIFSJTPRVFZUEL-UHFFFAOYSA-N	1	0	374.485	1.827	20	30		FDEDRO
Cc1nc(SCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n[nH]1	ZINC000073705405	172067591	/nfs/dbraw/zinc/06/75/91/172067591.db2.gz	DMOHGSCXELWEFX-UHFFFAOYSA-N	1	0	358.471	1.667	20	30		FDEDRO
C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)C[C@H](C)O1	ZINC000077538584	172128195	/nfs/dbraw/zinc/12/81/95/172128195.db2.gz	GSZXMELSMMBJCF-STQMWFEESA-N	1	0	362.405	1.251	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000111230889	172543057	/nfs/dbraw/zinc/54/30/57/172543057.db2.gz	YWZQRWBSBFQCNV-LJQANCHMSA-N	1	0	355.486	1.599	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccnc(OCC[NH+](C)C)c1	ZINC000124161584	172960534	/nfs/dbraw/zinc/96/05/34/172960534.db2.gz	OFRFTJXFOISOJC-OAHLLOKOSA-N	1	0	368.437	1.977	20	30		FDEDRO
N#Cc1ccc(OC2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)C2)cc1	ZINC000130509954	173173245	/nfs/dbraw/zinc/17/32/45/173173245.db2.gz	JBMFGFJLDRHGGM-LJQANCHMSA-N	1	0	355.438	1.791	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO	ZINC000131324612	173198262	/nfs/dbraw/zinc/19/82/62/173198262.db2.gz	RPWAIONVUGVSSE-MRXNPFEDSA-N	1	0	374.485	1.149	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3ncccc3C#N)CC2)C1	ZINC000134086596	173318362	/nfs/dbraw/zinc/31/83/62/173318362.db2.gz	GBHHMOUSOINPSE-QGZVFWFLSA-N	1	0	370.501	1.763	20	30		FDEDRO
Cc1ccc(CN(CC[NH+](C)C)C(=O)CNC(=O)c2ccc(C#N)cc2)o1	ZINC000150763613	173380171	/nfs/dbraw/zinc/38/01/71/173380171.db2.gz	URCYTHYLTPMSTJ-UHFFFAOYSA-N	1	0	368.437	1.780	20	30		FDEDRO
COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc(C#N)cc2)cc1	ZINC000151321227	173397622	/nfs/dbraw/zinc/39/76/22/173397622.db2.gz	LJWMVPSRUPMEHK-UHFFFAOYSA-N	1	0	372.446	1.936	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000154890992	173513653	/nfs/dbraw/zinc/51/36/53/173513653.db2.gz	GTOALSLRYZUKAM-CQSZACIVSA-N	1	0	369.425	1.939	20	30		FDEDRO
COC[C@@](C)(CCO)[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000177405079	174128965	/nfs/dbraw/zinc/12/89/65/174128965.db2.gz	RSEXIGOSKKTECH-GOSISDBHSA-N	1	0	357.414	1.060	20	30		FDEDRO
COC[C@](C)(CCO)[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000177405092	174129533	/nfs/dbraw/zinc/12/95/33/174129533.db2.gz	RSEXIGOSKKTECH-SFHVURJKSA-N	1	0	357.414	1.060	20	30		FDEDRO
Cn1cc(C[NH2+]C[C@H]2COC3(CCOCC3)O2)c(-c2ccc(C#N)cc2)n1	ZINC000180361468	258367079	/nfs/dbraw/zinc/36/70/79/258367079.db2.gz	IIVRVYNQFWJTQE-SFHVURJKSA-N	1	0	368.437	1.970	20	30		FDEDRO
N#Cc1cccc(OC2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1	ZINC000173667097	258306875	/nfs/dbraw/zinc/30/68/75/258306875.db2.gz	JHVTXORFLRHPHF-INIZCTEOSA-N	1	0	371.397	1.567	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000178496541	258329221	/nfs/dbraw/zinc/32/92/21/258329221.db2.gz	NWQAXCLQOSTCPA-OAHLLOKOSA-N	1	0	370.453	1.422	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1C#N	ZINC000179039294	258342648	/nfs/dbraw/zinc/34/26/48/258342648.db2.gz	GWFSOBQZOIXONN-CQSZACIVSA-N	1	0	358.442	1.694	20	30		FDEDRO
CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000184755631	258384052	/nfs/dbraw/zinc/38/40/52/258384052.db2.gz	YZEAPYOSTLDJRZ-UHFFFAOYSA-N	1	0	370.906	1.470	20	30		FDEDRO
COCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1ccc(C#N)cc1	ZINC000194386272	258394724	/nfs/dbraw/zinc/39/47/24/258394724.db2.gz	PBBBOHSWKYRSBV-UHFFFAOYSA-N	1	0	351.472	1.681	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(-c2cccc(C#N)c2)no1	ZINC000279333583	258548304	/nfs/dbraw/zinc/54/83/04/258548304.db2.gz	YLKZYQIZQJHGBN-AWEZNQCLSA-N	1	0	353.426	1.579	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1	ZINC000553397672	543626762	/nfs/dbraw/zinc/62/67/62/543626762.db2.gz	WUINQKRABXJBGD-ZACQAIPSSA-N	1	0	363.502	1.463	20	30		FDEDRO
CC(C)[C@H](C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1)N1CCOCC1	ZINC000553490822	543646190	/nfs/dbraw/zinc/64/61/90/543646190.db2.gz	PZPRQOHMGWOQJP-ICSRJNTNSA-N	1	0	361.486	1.439	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[C@@H](OCC)C(C)C)CC1	ZINC000553711818	543685477	/nfs/dbraw/zinc/68/54/77/543685477.db2.gz	MHTNOPYCKBEFQA-QGZVFWFLSA-N	1	0	353.507	1.711	20	30		FDEDRO
N#Cc1cnn2c1NC[C@@H](C[NH2+][C@@H]1CC(=O)N(c3ccccc3Cl)C1)C2	ZINC000553527625	543651971	/nfs/dbraw/zinc/65/19/71/543651971.db2.gz	UYJYFWIULVIIGG-TZMCWYRMSA-N	1	0	370.844	1.845	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]C2CCN(c3ccccn3)CC2)cc1	ZINC000554863636	543883433	/nfs/dbraw/zinc/88/34/33/543883433.db2.gz	UXPADMRAMIJHQU-GOSISDBHSA-N	1	0	352.438	1.952	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(OC(F)F)nc1	ZINC000555269935	543933909	/nfs/dbraw/zinc/93/39/09/543933909.db2.gz	YLJUNXXFGCHIFN-UHFFFAOYSA-N	1	0	369.372	1.315	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3cnccc3C#N)CC2)C1	ZINC000555542387	543969402	/nfs/dbraw/zinc/96/94/02/543969402.db2.gz	KFSVGHGXTNOFNM-MRXNPFEDSA-N	1	0	356.474	1.517	20	30		FDEDRO
CN(C)C(=O)COc1cccc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)c1	ZINC000555553242	543972290	/nfs/dbraw/zinc/97/22/90/543972290.db2.gz	FHTKNJMNSZAIJB-UHFFFAOYSA-N	1	0	364.409	1.358	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(c2cnccc2C#N)CC1)[N@@H+]1CCC[C@@H](C)C1	ZINC000555535012	543967339	/nfs/dbraw/zinc/96/73/39/543967339.db2.gz	DYMAIUISFWBOKD-IAGOWNOFSA-N	1	0	370.501	1.905	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000556692165	544177032	/nfs/dbraw/zinc/17/70/32/544177032.db2.gz	GDXWIDASPCEPEG-RBUKOAKNSA-N	1	0	364.449	1.875	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000556970020	544226407	/nfs/dbraw/zinc/22/64/07/544226407.db2.gz	QKAHHJIHCMCVAD-QAPCUYQASA-N	1	0	369.469	1.979	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)C2)c(F)c1	ZINC000557145702	544253748	/nfs/dbraw/zinc/25/37/48/544253748.db2.gz	NYEOJDSQZOZCLN-VKJFTORMSA-N	1	0	357.433	1.669	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNc2nccc(C#N)c2Cl)c1	ZINC000557569513	544310926	/nfs/dbraw/zinc/31/09/26/544310926.db2.gz	GJSZKDCTHVCTFN-UHFFFAOYSA-N	1	0	357.845	2.510	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(C)cc2OCC)CC1	ZINC000557732437	544338024	/nfs/dbraw/zinc/33/80/24/544338024.db2.gz	RQILTXWRSOZMBX-UHFFFAOYSA-N	1	0	359.470	1.777	20	30		FDEDRO
CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000558441262	544433067	/nfs/dbraw/zinc/43/30/67/544433067.db2.gz	DTDNNFMFJQTYNZ-GFCCVEGCSA-N	1	0	354.432	1.865	20	30		FDEDRO
CC[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@H]1CCOC1	ZINC000558661534	544495167	/nfs/dbraw/zinc/49/51/67/544495167.db2.gz	JXXLFDURJASANZ-JKSUJKDBSA-N	1	0	362.499	1.568	20	30		FDEDRO
C=CCn1c(C2CCCC2)nnc1N1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000558675159	544499971	/nfs/dbraw/zinc/49/99/71/544499971.db2.gz	LNQMAJOUHGDISE-UHFFFAOYSA-N	1	0	360.506	1.722	20	30		FDEDRO
COC(=O)c1cncnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000559587825	544733961	/nfs/dbraw/zinc/73/39/61/544733961.db2.gz	DPDBKOBITLIQRG-UHFFFAOYSA-N	1	0	351.410	1.847	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCO[C@@](C)(CC)C1)C(C)C	ZINC000559866882	544826952	/nfs/dbraw/zinc/82/69/52/544826952.db2.gz	CMULEPFQVUFLSF-PXNSSMCTSA-N	1	0	365.518	1.829	20	30		FDEDRO
C=CCCCCNC(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000559772974	544793660	/nfs/dbraw/zinc/79/36/60/544793660.db2.gz	NLSRULYJDKOMTC-LJQANCHMSA-N	1	0	372.513	1.564	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)C[NH+](C)C	ZINC000559973002	544858013	/nfs/dbraw/zinc/85/80/13/544858013.db2.gz	QVZAFEDHUDTIDK-JTQLQIEISA-N	1	0	372.347	1.709	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC[N@@H+](C2CCC2)C1	ZINC000293275941	258865728	/nfs/dbraw/zinc/86/57/28/258865728.db2.gz	BIMATBANZKTYNF-CYBMUJFWSA-N	1	0	358.417	1.969	20	30		FDEDRO
N#Cc1cnn(-c2ccc(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)cc2)c1N	ZINC000328842283	259061622	/nfs/dbraw/zinc/06/16/22/259061622.db2.gz	VUQNGLSSZPHSFZ-SJORKVTESA-N	1	0	350.426	1.683	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)[C@H]2C1	ZINC000329220067	259085339	/nfs/dbraw/zinc/08/53/39/259085339.db2.gz	SVJCHITVQRSYLH-SNRMKQJTSA-N	1	0	372.444	1.455	20	30		FDEDRO
Cc1onc(CC(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)c1C#N	ZINC000329391393	259093025	/nfs/dbraw/zinc/09/30/25/259093025.db2.gz	SSDGARVCAQPPEN-UHFFFAOYSA-N	1	0	359.474	1.414	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2cnc(C)c(C#N)c2)C[C@H]1[NH+]1CCCC1	ZINC000330195671	259132651	/nfs/dbraw/zinc/13/26/51/259132651.db2.gz	PHGGSNJHFIWHDX-CVEARBPZSA-N	1	0	366.512	1.462	20	30		FDEDRO
CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)s1	ZINC000331820436	259222153	/nfs/dbraw/zinc/22/21/53/259222153.db2.gz	PHVAOFKOVNOLIR-YPMHNXCESA-N	1	0	360.483	1.924	20	30		FDEDRO
C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](C)C[NH2+]1	ZINC000331858260	259224936	/nfs/dbraw/zinc/22/49/36/259224936.db2.gz	NDPZRTPMDMGHRS-CKEIUWERSA-N	1	0	355.442	1.445	20	30		FDEDRO
C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](C)C[NH2+]1	ZINC000331858289	259225078	/nfs/dbraw/zinc/22/50/78/259225078.db2.gz	NDPZRTPMDMGHRS-KEYYUXOJSA-N	1	0	355.442	1.445	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2cccc(C#N)c2)C[C@@H]1[NH+]1CCCC1	ZINC000332070242	259238530	/nfs/dbraw/zinc/23/85/30/259238530.db2.gz	BPCWLWZEWAQEKA-HOTGVXAUSA-N	1	0	351.497	1.759	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@H](C[NH+](C)C)C1	ZINC000332108342	259242005	/nfs/dbraw/zinc/24/20/05/259242005.db2.gz	SEPMZPFSYIHTJQ-OAHLLOKOSA-N	1	0	354.458	1.561	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(S(=O)(=O)c3ccc(C#N)s3)CC2)c1	ZINC000332416849	259265238	/nfs/dbraw/zinc/26/52/38/259265238.db2.gz	NHAUHZKKDKXADO-UHFFFAOYSA-N	1	0	364.452	1.534	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)CC[C@H]21	ZINC000332554189	259276487	/nfs/dbraw/zinc/27/64/87/259276487.db2.gz	RRZUSEXAYCAKNL-TZMCWYRMSA-N	1	0	364.427	1.571	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000333562347	259359854	/nfs/dbraw/zinc/35/98/54/259359854.db2.gz	LMWDFJZNZPXXAN-XYPHTWIQSA-N	1	0	355.442	1.351	20	30		FDEDRO
N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)c1	ZINC000333891051	259390661	/nfs/dbraw/zinc/39/06/61/259390661.db2.gz	YFUNJMVBJMKJMB-FVQHAEBGSA-N	1	0	353.426	1.136	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)c1	ZINC000333909671	259392754	/nfs/dbraw/zinc/39/27/54/259392754.db2.gz	KYCQJMNDRASTOG-GVDBMIGSSA-N	1	0	354.458	1.173	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)nc1	ZINC000333917586	259392979	/nfs/dbraw/zinc/39/29/79/259392979.db2.gz	NWBJKJMOVLVPJV-GVDBMIGSSA-N	1	0	354.458	1.173	20	30		FDEDRO
C[C@H]1C[C@H](CNC(=O)NCCn2cnc(C#N)n2)C[N@@H+]1Cc1ccccc1	ZINC000367736855	260083320	/nfs/dbraw/zinc/08/33/20/260083320.db2.gz	FWHACSNXTZNZSF-DOTOQJQBSA-N	1	0	367.457	1.360	20	30		FDEDRO
C[N@H+](CCOc1ccccc1C#N)C1CCN(CC(=O)N2CCCC2)CC1	ZINC000369064689	260289671	/nfs/dbraw/zinc/28/96/71/260289671.db2.gz	NKFGWVPVFWIPNX-UHFFFAOYSA-N	1	0	370.497	1.956	20	30		FDEDRO
N#Cc1ncn(C2CC[NH+](C[C@@H](O)COCc3ccccc3F)CC2)n1	ZINC000369389715	260354513	/nfs/dbraw/zinc/35/45/13/260354513.db2.gz	RRPBMIAWWJNNOW-MRXNPFEDSA-N	1	0	359.405	1.503	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)c1	ZINC000372578150	260891903	/nfs/dbraw/zinc/89/19/03/260891903.db2.gz	KDAOJSYXDZTHEV-RDJZCZTQSA-N	1	0	356.426	1.114	20	30		FDEDRO
CN(C)C(=O)COc1ccccc1C[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000373465922	261012898	/nfs/dbraw/zinc/01/28/98/261012898.db2.gz	BKULPMWYYLLBAL-UHFFFAOYSA-N	1	0	368.441	1.454	20	30		FDEDRO
N#Cc1ncn(C2CCN(c3cc(N4CCCC[C@@H]4CO)ncn3)CC2)n1	ZINC000373646260	261027175	/nfs/dbraw/zinc/02/71/75/261027175.db2.gz	HDKSKGDLXFFOME-OAHLLOKOSA-N	1	0	368.445	1.132	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000373845600	261046603	/nfs/dbraw/zinc/04/66/03/261046603.db2.gz	PEPBRASCRFGCNJ-CABCVRRESA-N	1	0	373.457	1.033	20	30		FDEDRO
CCc1nc(CN2C[C@H]3C[NH+](CCOc4ccccc4C#N)C[C@@H]3C2)no1	ZINC000373944817	261055251	/nfs/dbraw/zinc/05/52/51/261055251.db2.gz	HUKQKMAWBQRXRY-IAGOWNOFSA-N	1	0	367.453	1.946	20	30		FDEDRO
CN1CCN(C(=O)CC[N@@H+]2CCCN(c3ccc(C#N)cc3)CC2)CC1	ZINC000374872882	261216022	/nfs/dbraw/zinc/21/60/22/261216022.db2.gz	CGDMYVVERVMLGW-UHFFFAOYSA-N	1	0	355.486	1.234	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)cc1	ZINC000375468313	261346550	/nfs/dbraw/zinc/34/65/50/261346550.db2.gz	FJBKOSMBEJFEAW-YZGWKJHDSA-N	1	0	359.470	1.531	20	30		FDEDRO
CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cn2)CC1	ZINC000375537732	261366175	/nfs/dbraw/zinc/36/61/75/261366175.db2.gz	SFFPRHJZBIMPJK-DLBZAZTESA-N	1	0	362.499	1.867	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1	ZINC000377064003	261712988	/nfs/dbraw/zinc/71/29/88/261712988.db2.gz	ZYGNDFZPGPRCQP-AWEZNQCLSA-N	1	0	368.528	1.410	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)CC1	ZINC000378292667	262003268	/nfs/dbraw/zinc/00/32/68/262003268.db2.gz	KNPPMFHCSIWNGO-LJQANCHMSA-N	1	0	356.470	1.486	20	30		FDEDRO
CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H](C)n2cnc(C#N)n2)cc1	ZINC000409646583	262130433	/nfs/dbraw/zinc/13/04/33/262130433.db2.gz	ZJOBIQCHPTVTSI-HNNXBMFYSA-N	1	0	370.457	1.748	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C)n1cnc(C#N)n1	ZINC000409872183	262142565	/nfs/dbraw/zinc/14/25/65/262142565.db2.gz	ZWSNHYAGVSHJSY-BZUAXINKSA-N	1	0	352.442	1.832	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2CCN(C)C2=O)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087202100	782060648	/nfs/dbraw/zinc/06/06/48/782060648.db2.gz	OYCGNRNTUGNYTF-MNEFBYGVSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=CCn1cc(CNC(=O)N2CC[NH2+]C[C@@H]2c2ccc(OC)cc2)nn1	ZINC000892192125	782113039	/nfs/dbraw/zinc/11/30/39/782113039.db2.gz	ADUQAHIIEVLMBR-QGZVFWFLSA-N	1	0	356.430	1.329	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2nccn3c(Br)cnc23)CC1	ZINC000271205657	674322389	/nfs/dbraw/zinc/32/23/89/674322389.db2.gz	AFJNJUPIGMLFRA-UHFFFAOYSA-N	1	0	364.247	1.872	20	30		FDEDRO
Cc1cc(NC(=O)c2cccc(N3CC[NH+](C)CC3)n2)nn1CCC#N	ZINC000535054221	490446588	/nfs/dbraw/zinc/44/65/88/490446588.db2.gz	PRPYELGBEDWSCZ-UHFFFAOYSA-N	1	0	353.430	1.504	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1	ZINC000536965021	490627113	/nfs/dbraw/zinc/62/71/13/490627113.db2.gz	LCBLVZGJCNPPEI-GOOCMWNKSA-N	1	0	358.446	1.406	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ccn(CCC#N)n3)C2)CC1	ZINC000610730610	492260175	/nfs/dbraw/zinc/26/01/75/492260175.db2.gz	XLNWVAXNFWGQQU-MRXNPFEDSA-N	1	0	359.478	1.429	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3cc(C)n(CCC#N)n3)C2)CC1	ZINC000611481360	492288849	/nfs/dbraw/zinc/28/88/49/492288849.db2.gz	JKVOVGLFRYOTKY-INIZCTEOSA-N	1	0	359.478	1.349	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1	ZINC000028059705	519219385	/nfs/dbraw/zinc/21/93/85/519219385.db2.gz	KBZHWYPWQCPJPB-UHFFFAOYSA-N	1	0	350.488	1.503	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)c1	ZINC000041965193	519674547	/nfs/dbraw/zinc/67/45/47/519674547.db2.gz	SODCLLRBBUZIIQ-UHFFFAOYSA-N	1	0	372.494	1.975	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)NCCC[N@@H+](C)C(C)C)c1	ZINC000042483079	519692080	/nfs/dbraw/zinc/69/20/80/519692080.db2.gz	YXUPKRAVVMSDKQ-UHFFFAOYSA-N	1	0	351.472	1.058	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C(N)=O)cs1	ZINC000056016022	521762835	/nfs/dbraw/zinc/76/28/35/521762835.db2.gz	SQJUQNNOZNMAAY-UHFFFAOYSA-N	1	0	356.451	1.923	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+](CCC)CC(=O)NC)c(OC)c1	ZINC000056508612	521872756	/nfs/dbraw/zinc/87/27/56/521872756.db2.gz	KRYVNYKORODLOO-INIZCTEOSA-N	1	0	350.459	1.621	20	30		FDEDRO
CNC(NCCCNC(=O)c1cc(OC)ccc1Br)=[NH+]C	ZINC000069672864	521930612	/nfs/dbraw/zinc/93/06/12/521930612.db2.gz	RUGKWGWUJFRIQS-UHFFFAOYSA-N	1	0	357.252	1.372	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000069745844	521948674	/nfs/dbraw/zinc/94/86/74/521948674.db2.gz	IGKSAFCNSXFMMI-KRWDZBQOSA-N	1	0	373.453	1.516	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC(C#N)CC3)cn2)CC1	ZINC000057991744	522196880	/nfs/dbraw/zinc/19/68/80/522196880.db2.gz	HYCGTXLRWYVXDQ-UHFFFAOYSA-N	1	0	356.474	1.669	20	30		FDEDRO
CN(C)c1nc(C[N@H+](C)[C@@H]2CCN(c3ccc(C#N)cc3)C2)cc(=O)[nH]1	ZINC000275862346	522331834	/nfs/dbraw/zinc/33/18/34/522331834.db2.gz	XPXNMMRYXRGRLK-QGZVFWFLSA-N	1	0	352.442	1.831	20	30		FDEDRO
CC(=O)N1CCC(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1	ZINC000047010658	522422884	/nfs/dbraw/zinc/42/28/84/522422884.db2.gz	MNXAMCGBMZCSEM-UHFFFAOYSA-N	1	0	356.470	1.707	20	30		FDEDRO
C[NH+]=C(NCc1cccc2cccnc21)N1CCN(c2ncccn2)CC1	ZINC000073445926	522528837	/nfs/dbraw/zinc/52/88/37/522528837.db2.gz	LBPBDPRMKOCTOO-UHFFFAOYSA-N	1	0	361.453	1.922	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CN[C@@H](c2ccccc2)C(F)(F)F)CC1	ZINC000073454966	522530199	/nfs/dbraw/zinc/53/01/99/522530199.db2.gz	CBARKOHCMGEMSG-HNNXBMFYSA-N	1	0	354.376	1.984	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1	ZINC000047675982	522584232	/nfs/dbraw/zinc/58/42/32/522584232.db2.gz	JJEDJJNTLBCRQX-MRXNPFEDSA-N	1	0	358.486	1.810	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1	ZINC000050023937	522878280	/nfs/dbraw/zinc/87/82/80/522878280.db2.gz	VPTLSAPUUAAWBA-UHFFFAOYSA-N	1	0	350.466	1.548	20	30		FDEDRO
CC(C)C[NH+]1CCC(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1	ZINC000050128860	522887595	/nfs/dbraw/zinc/88/75/95/522887595.db2.gz	KVKBSQLZRPZQNU-UHFFFAOYSA-N	1	0	370.501	1.905	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000065930169	522921247	/nfs/dbraw/zinc/92/12/47/522921247.db2.gz	DTGBAVRNJUDOSS-UHFFFAOYSA-N	1	0	370.413	1.643	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)C2CC[NH+](CC)CC2)cc1	ZINC000075604590	522941139	/nfs/dbraw/zinc/94/11/39/522941139.db2.gz	UMKDOYVHWVNXJR-UHFFFAOYSA-N	1	0	365.499	1.707	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000066241336	522996787	/nfs/dbraw/zinc/99/67/87/522996787.db2.gz	UDYFJSCFNXAJLP-CQSZACIVSA-N	1	0	352.442	1.786	20	30		FDEDRO
N#Cc1cnn(-c2ccc(C(=O)N3CCC[N@@H+]4CCC[C@H]4C3)cc2)c1N	ZINC000066241608	522998417	/nfs/dbraw/zinc/99/84/17/522998417.db2.gz	HRFNSJPFPUIQHM-KRWDZBQOSA-N	1	0	350.426	1.636	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C(=O)NCCCCC)CC1	ZINC000051802451	523077029	/nfs/dbraw/zinc/07/70/29/523077029.db2.gz	FGDKWYFTNCHOPL-AWEZNQCLSA-N	1	0	352.479	1.405	20	30		FDEDRO
CC(C)[N@@H+](CC(=O)NCC#N)C[C@H](O)COc1cccc2ccccc21	ZINC000066498073	523087361	/nfs/dbraw/zinc/08/73/61/523087361.db2.gz	DWROXZGZSFBSJI-KRWDZBQOSA-N	1	0	355.438	1.930	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCC(C[NH+]2CCOCC2)CC1	ZINC000051958286	523099783	/nfs/dbraw/zinc/09/97/83/523099783.db2.gz	GESLWBQKXHWTCE-LPHOPBHVSA-N	1	0	350.507	1.474	20	30		FDEDRO
C[C@@H]1CCCN(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000076408269	523103408	/nfs/dbraw/zinc/10/34/08/523103408.db2.gz	WJMPZKXTUDDUPK-MRXNPFEDSA-N	1	0	364.515	1.899	20	30		FDEDRO
CCN(Cc1ccc(C[NH+](C)C)cc1)c1c(C#N)c(=O)n(C)c(=O)n1C	ZINC000066816207	523205907	/nfs/dbraw/zinc/20/59/07/523205907.db2.gz	GODXFYTXVTYJEP-UHFFFAOYSA-N	1	0	355.442	1.044	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1	ZINC000076980354	523224085	/nfs/dbraw/zinc/22/40/85/523224085.db2.gz	HSZJYVIEKBSDKY-QGZVFWFLSA-N	1	0	354.458	1.269	20	30		FDEDRO
Cc1ccc(CN2C[C@@H](C(=O)NC3(C#N)CC[NH+](C)CC3)CC2=O)cc1	ZINC000077037336	523239685	/nfs/dbraw/zinc/23/96/85/523239685.db2.gz	CGWCMJNUXPYVDP-KRWDZBQOSA-N	1	0	354.454	1.448	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)COc2ccc(Br)cc2)CC1	ZINC000077038181	523239977	/nfs/dbraw/zinc/23/99/77/523239977.db2.gz	SZYKADANHZLUTK-UHFFFAOYSA-N	1	0	352.232	1.932	20	30		FDEDRO
C[C@H](C1CC1)N(C)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000066911129	523256841	/nfs/dbraw/zinc/25/68/41/523256841.db2.gz	DNWVYJUEGFZDIC-OAHLLOKOSA-N	1	0	364.515	1.897	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)c1	ZINC000066947485	523281275	/nfs/dbraw/zinc/28/12/75/523281275.db2.gz	UBMOGXIZVHMXSO-MRXNPFEDSA-N	1	0	365.499	1.707	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2C[NH+](C)C)c1	ZINC000066947484	523282624	/nfs/dbraw/zinc/28/26/24/523282624.db2.gz	UBMOGXIZVHMXSO-INIZCTEOSA-N	1	0	365.499	1.707	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)CCCN1S(=O)(=O)N(C)CCC#N	ZINC000077405538	523324958	/nfs/dbraw/zinc/32/49/58/523324958.db2.gz	RKCYDMUUYGGVNF-INIZCTEOSA-N	1	0	350.488	1.673	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H](Cc2ccccc2)C(=O)OCC)CC1	ZINC000067265521	523367855	/nfs/dbraw/zinc/36/78/55/523367855.db2.gz	XZPZRRZSHUACEX-IBGZPJMESA-N	1	0	356.466	1.870	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)c1	ZINC000077816537	523473360	/nfs/dbraw/zinc/47/33/60/523473360.db2.gz	XKKPDDDPXNQPQE-UHFFFAOYSA-N	1	0	374.485	1.334	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[NH+](CC(C)C)CC2)cc1	ZINC000053636721	523480168	/nfs/dbraw/zinc/48/01/68/523480168.db2.gz	GLPSLHIRVACOSX-UHFFFAOYSA-N	1	0	365.499	1.565	20	30		FDEDRO
C[NH+]1CCN(c2ccc(NC(=O)COc3ccccc3C#N)nc2)CC1	ZINC000053744321	523501547	/nfs/dbraw/zinc/50/15/47/523501547.db2.gz	TXGLAYZISHBCRM-UHFFFAOYSA-N	1	0	351.410	1.723	20	30		FDEDRO
CCn1nc2c(cc1=O)C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)CC2	ZINC000078619152	523620463	/nfs/dbraw/zinc/62/04/63/523620463.db2.gz	HMUNEEIWDLPWCP-UHFFFAOYSA-N	1	0	351.410	1.522	20	30		FDEDRO
C[C@@](C#N)(NC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C1CC1	ZINC000054454819	523642176	/nfs/dbraw/zinc/64/21/76/523642176.db2.gz	DSFZJNBCVJXZST-NRFANRHFSA-N	1	0	365.481	1.874	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N2CCN(c3ncccc3C#N)CC2)CCCC1	ZINC000079198152	523723599	/nfs/dbraw/zinc/72/35/99/523723599.db2.gz	GODROCGUQSDUNJ-UHFFFAOYSA-N	1	0	356.474	1.659	20	30		FDEDRO
C[C@H]1Oc2ccccc2N(CC(=O)N(CCC#N)CCC[NH+](C)C)C1=O	ZINC000068225689	523736934	/nfs/dbraw/zinc/73/69/34/523736934.db2.gz	OLRYKTMNCWMTDL-OAHLLOKOSA-N	1	0	358.442	1.494	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)c1	ZINC000055221578	523772421	/nfs/dbraw/zinc/77/24/21/523772421.db2.gz	OTSZZDWJIVHLRI-UHFFFAOYSA-N	1	0	367.515	2.000	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1	ZINC000055242294	523777068	/nfs/dbraw/zinc/77/70/68/523777068.db2.gz	WKKOWBBSJSCODO-DLBZAZTESA-N	1	0	363.483	1.508	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)Cc2cccc(C#N)c2)CC1	ZINC000079648041	523778031	/nfs/dbraw/zinc/77/80/31/523778031.db2.gz	ZAXLOTGDOJZXSI-UHFFFAOYSA-N	1	0	370.497	1.844	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1	ZINC000079644483	523778497	/nfs/dbraw/zinc/77/84/97/523778497.db2.gz	MKNBSDSOQBPREC-OAHLLOKOSA-N	1	0	353.507	1.711	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1	ZINC000172029649	524098169	/nfs/dbraw/zinc/09/81/69/524098169.db2.gz	OCHDWFUNEVQEDW-CQSZACIVSA-N	1	0	351.472	1.175	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)c1coc(S(N)(=O)=O)c1)C(C)C	ZINC000135627121	524158547	/nfs/dbraw/zinc/15/85/47/524158547.db2.gz	AZEYQCZUXULVIL-CQSZACIVSA-N	1	0	355.460	1.355	20	30		FDEDRO
C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000172326065	524201551	/nfs/dbraw/zinc/20/15/51/524201551.db2.gz	YZIMCRSPOPOQJD-JJOAJVDHSA-N	1	0	362.474	1.386	20	30		FDEDRO
N#CCOc1ccc(CC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1	ZINC000136811348	524215816	/nfs/dbraw/zinc/21/58/16/524215816.db2.gz	LKSGFKLMKQRISP-QGZVFWFLSA-N	1	0	357.454	1.749	20	30		FDEDRO
CS(=O)(=O)N1CCC(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)CC1	ZINC000083034559	524233748	/nfs/dbraw/zinc/23/37/48/524233748.db2.gz	MKCZVWRSGSSFFT-HNNXBMFYSA-N	1	0	366.487	1.086	20	30		FDEDRO
CN(CCc1ccccn1)C(=O)CNC(=[NH2+])N[C@H]1CCOc2ccccc21	ZINC000083035436	524235336	/nfs/dbraw/zinc/23/53/36/524235336.db2.gz	NMKDAHINQKVNGZ-KRWDZBQOSA-N	1	0	367.453	1.511	20	30		FDEDRO
C=CC1CC[NH+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)CC1	ZINC000111260339	524237709	/nfs/dbraw/zinc/23/77/09/524237709.db2.gz	YYNUWAZLDPMLNQ-CYBMUJFWSA-N	1	0	363.483	1.510	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NC3CC[NH+](CCOC)CC3)cc2C1=O	ZINC000138543818	524259617	/nfs/dbraw/zinc/25/96/17/524259617.db2.gz	KAHQOUDLLIXKJG-UHFFFAOYSA-N	1	0	371.437	1.309	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2=O)CC1	ZINC000172732953	524265580	/nfs/dbraw/zinc/26/55/80/524265580.db2.gz	MFCGHDZMPLNTQL-LJQANCHMSA-N	1	0	353.466	1.952	20	30		FDEDRO
C=CCCS(=O)(=O)N[C@@H]1CCN(Cc2cc(OC)cc(OC)c2)C1	ZINC000121505686	524277504	/nfs/dbraw/zinc/27/75/04/524277504.db2.gz	NUBJQYMJSRYUNF-OAHLLOKOSA-N	1	0	354.472	1.774	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2ccc(F)c(S(=O)(=O)NC)c2)CC1	ZINC000084188105	524290355	/nfs/dbraw/zinc/29/03/55/524290355.db2.gz	LAKNXHOWPUULBZ-UHFFFAOYSA-N	1	0	369.462	1.504	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(CCn3cc([N+](=O)[O-])cn3)CC2)cc1	ZINC000157524549	524291470	/nfs/dbraw/zinc/29/14/70/524291470.db2.gz	BAZKDABVUFTSMM-UHFFFAOYSA-N	1	0	354.414	1.871	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000139640259	524294711	/nfs/dbraw/zinc/29/47/11/524294711.db2.gz	DRZGQEACRREMFT-CQSZACIVSA-N	1	0	358.446	1.349	20	30		FDEDRO
CCC[C@H]1CN(CC(=O)NC2(C#N)CCCCC2)CC[N@@H+]1CCOC	ZINC000121629905	524312218	/nfs/dbraw/zinc/31/22/18/524312218.db2.gz	LUMBLECYJIZFCP-KRWDZBQOSA-N	1	0	350.507	1.762	20	30		FDEDRO
CC(C)C1CCC([NH+]2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)CC1	ZINC000084649812	524321649	/nfs/dbraw/zinc/32/16/49/524321649.db2.gz	YLPMWDVCHBIURA-UHFFFAOYSA-N	1	0	373.501	1.292	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000086447055	524391575	/nfs/dbraw/zinc/39/15/75/524391575.db2.gz	YNARUULXAWVVPP-HNNXBMFYSA-N	1	0	360.462	1.506	20	30		FDEDRO
N#CCCn1ccc(NC(=O)C(=O)NCCCCC[NH+]2CCCCC2)n1	ZINC000086460194	524394107	/nfs/dbraw/zinc/39/41/07/524394107.db2.gz	GHFVPALVXCVAOM-UHFFFAOYSA-N	1	0	360.462	1.508	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H]2CCCCN2C(=O)c2cccnc2)CC1	ZINC000173578531	524419053	/nfs/dbraw/zinc/41/90/53/524419053.db2.gz	OWJOIKGLBYYLKC-GOSISDBHSA-N	1	0	356.470	1.843	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1	ZINC000112219116	524430649	/nfs/dbraw/zinc/43/06/49/524430649.db2.gz	ZNEOABQQOLBIDP-MRXNPFEDSA-N	1	0	356.426	1.068	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc(-c2ncon2)c1	ZINC000122134915	524459314	/nfs/dbraw/zinc/45/93/14/524459314.db2.gz	HEZJVBQFNCHTCN-UHFFFAOYSA-N	1	0	370.413	1.369	20	30		FDEDRO
Cc1c(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cccc1[N+](=O)[O-]	ZINC000122170008	524470557	/nfs/dbraw/zinc/47/05/57/524470557.db2.gz	GXRNTCPUMUEOTQ-UHFFFAOYSA-N	1	0	361.402	1.536	20	30		FDEDRO
CC(C)C[C@H](CCO)CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000089120973	524476730	/nfs/dbraw/zinc/47/67/30/524476730.db2.gz	FHLZCTSKLLLBDA-JKSUJKDBSA-N	1	0	368.522	1.912	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)N1CCN(C(=O)c2ccco2)CC1	ZINC000089158670	524478187	/nfs/dbraw/zinc/47/81/87/524478187.db2.gz	ONWJKBVIJUGGKG-BMFZPTHFSA-N	1	0	360.458	1.426	20	30		FDEDRO
C=CCC[C@H](O)C[NH+]1CCN(c2ncc(Br)c(OC)n2)CC1	ZINC000150879059	524498317	/nfs/dbraw/zinc/49/83/17/524498317.db2.gz	UYPKLEVSCVMFNF-LBPRGKRZSA-N	1	0	371.279	1.697	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC1	ZINC000122355473	524514865	/nfs/dbraw/zinc/51/48/65/524514865.db2.gz	WAIOFBIVGAUBLT-IAGOWNOFSA-N	1	0	358.486	1.715	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(OCCOC)c2)c1C#N	ZINC000089675861	524519629	/nfs/dbraw/zinc/51/96/29/524519629.db2.gz	MMDYGASGEFEJRM-UHFFFAOYSA-N	1	0	357.414	1.711	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1	ZINC000112638246	524521595	/nfs/dbraw/zinc/52/15/95/524521595.db2.gz	KZIZQPAXSSZNIU-VQIMIIECSA-N	1	0	355.486	1.597	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3F)C2)CC1	ZINC000151165330	524532426	/nfs/dbraw/zinc/53/24/26/524532426.db2.gz	JSFHJVOMCGIJLC-HNNXBMFYSA-N	1	0	366.462	1.098	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)Cc1cccc(OCC#N)c1)[NH+]1CCN(C)CC1	ZINC000089842581	524535738	/nfs/dbraw/zinc/53/57/38/524535738.db2.gz	JTOGNOMWHQLPRZ-LJQANCHMSA-N	1	0	358.486	1.520	20	30		FDEDRO
C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C[C@H]1C	ZINC000122431646	524536347	/nfs/dbraw/zinc/53/63/47/524536347.db2.gz	FSKWEVOGUUSGQC-VXGBXAGGSA-N	1	0	357.863	1.287	20	30		FDEDRO
COc1cccc(CNC(=O)[C@@H](C)[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1	ZINC000089943555	524556594	/nfs/dbraw/zinc/55/65/94/524556594.db2.gz	IGXSTJYWQYPNMX-CYBMUJFWSA-N	1	0	370.457	1.441	20	30		FDEDRO
C[C@@H]1C[C@@H](N(C)C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC[N@@H+]1C	ZINC000122742892	524606534	/nfs/dbraw/zinc/60/65/34/524606534.db2.gz	OHXRIZIKMZWCBS-PBHICJAKSA-N	1	0	363.483	1.414	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)n1	ZINC000091193900	524655532	/nfs/dbraw/zinc/65/55/32/524655532.db2.gz	UMRWBKFANWEWFM-MRXNPFEDSA-N	1	0	374.489	1.901	20	30		FDEDRO
CC(C)[C@H](CNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N)[NH+]1CCCC1	ZINC000091206872	524660337	/nfs/dbraw/zinc/66/03/37/524660337.db2.gz	PHOUTFACDOHQNG-HNNXBMFYSA-N	1	0	360.462	1.511	20	30		FDEDRO
C[NH+]=C(NCCNC(=O)c1ccccc1Cl)N[C@H]1C[C@H]2CC[C@@H]1O2	ZINC000159716530	524725452	/nfs/dbraw/zinc/72/54/52/524725452.db2.gz	MDUNDUUSMFXVPX-UGFHNGPFSA-N	1	0	350.850	1.555	20	30		FDEDRO
C[C@@H](NC(=O)NCCCC[NH+]1CCN(CCO)CC1)c1ccc(C#N)cc1	ZINC000114589445	524836387	/nfs/dbraw/zinc/83/63/87/524836387.db2.gz	HOJDMGRIFCFXSD-QGZVFWFLSA-N	1	0	373.501	1.309	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCN(C(C)C)C1=O)C(C)C	ZINC000114823265	524882695	/nfs/dbraw/zinc/88/26/95/524882695.db2.gz	NZVLBFJSUKLMBY-DLBZAZTESA-N	1	0	350.507	1.994	20	30		FDEDRO
CC(C)N1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1=O	ZINC000114835397	524883797	/nfs/dbraw/zinc/88/37/97/524883797.db2.gz	APPMWDKUBWITTL-GOSISDBHSA-N	1	0	371.485	1.641	20	30		FDEDRO
CCC[N@H+](C)C[C@@H]1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1	ZINC000092618978	524901099	/nfs/dbraw/zinc/90/10/99/524901099.db2.gz	QDCJQGAPNPEZGZ-OALUTQOASA-N	1	0	363.550	1.342	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)NC(C)C)N1CC[C@H](c2ccccc2)C1	ZINC000175482955	524969006	/nfs/dbraw/zinc/96/90/06/524969006.db2.gz	MYMPBXSDKIUCHA-INIZCTEOSA-N	1	0	352.504	1.379	20	30		FDEDRO
C=CCc1cc(CN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc(OC)c1O	ZINC000093821060	525002577	/nfs/dbraw/zinc/00/25/77/525002577.db2.gz	BZWBITWBNFHBGW-GOSISDBHSA-N	1	0	373.497	1.868	20	30		FDEDRO
C=CCn1c(SCC(=O)NCCC[NH+](C)C)nnc1-c1ccncc1	ZINC000124519315	525010399	/nfs/dbraw/zinc/01/03/99/525010399.db2.gz	OPJFUQHOOUGOPI-UHFFFAOYSA-N	1	0	360.487	1.686	20	30		FDEDRO
C[NH+](C)CCCOC1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1	ZINC000125162343	525155023	/nfs/dbraw/zinc/15/50/23/525155023.db2.gz	DSLFOUMYBGMZEK-UHFFFAOYSA-N	1	0	369.462	1.819	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1cc(=O)n2cc(Cl)ccc2n1	ZINC000153253961	525156629	/nfs/dbraw/zinc/15/66/29/525156629.db2.gz	QQTHIXRSEXPTDC-UHFFFAOYSA-N	1	0	371.832	1.589	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC([NH+](C)C)CC2)c1	ZINC000096996953	525164779	/nfs/dbraw/zinc/16/47/79/525164779.db2.gz	OKSYIDNJMAOVQS-UHFFFAOYSA-N	1	0	351.472	1.317	20	30		FDEDRO
Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153317641	525176409	/nfs/dbraw/zinc/17/64/09/525176409.db2.gz	HQQJNHUZIQCGFU-LBPRGKRZSA-N	1	0	358.450	1.106	20	30		FDEDRO
CC[NH+]=C(NC[C@H](O)c1ccc(Cl)cc1)N[C@@H]1CCc2ncnn2C1	ZINC000153398991	525201103	/nfs/dbraw/zinc/20/11/03/525201103.db2.gz	YBBKWDQCOOGLRJ-CABCVRRESA-N	1	0	362.865	1.535	20	30		FDEDRO
CCN(CCC#N)C(=O)CN1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1	ZINC000101920344	525260858	/nfs/dbraw/zinc/26/08/58/525260858.db2.gz	PWAWAEJZEHJLOQ-INIZCTEOSA-N	1	0	361.421	1.784	20	30		FDEDRO
N#CC1(c2ccccc2)CC([NH2+]CCN2CCN(c3ncccn3)CC2)C1	ZINC000126059803	525269709	/nfs/dbraw/zinc/26/97/09/525269709.db2.gz	DVKFMKJHEBILOL-UHFFFAOYSA-N	1	0	362.481	1.812	20	30		FDEDRO
Cn1ncc([N+](=O)[O-])c1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000162510638	525272573	/nfs/dbraw/zinc/27/25/73/525272573.db2.gz	VCQXMTJVHUONOE-UHFFFAOYSA-N	1	0	356.386	1.404	20	30		FDEDRO
C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000177447196	525290925	/nfs/dbraw/zinc/29/09/25/525290925.db2.gz	UYVIFNMHAUDWRV-NVXWUHKLSA-N	1	0	352.442	1.929	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](CN1CCOCC1)c1ccccc1	ZINC000102700820	525301494	/nfs/dbraw/zinc/30/14/94/525301494.db2.gz	LAJAWZFYJLVUFO-AZUAARDMSA-N	1	0	358.486	1.704	20	30		FDEDRO
C[NH+](C)C[C@](C)(O)CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1	ZINC000126468224	525315017	/nfs/dbraw/zinc/31/50/17/525315017.db2.gz	LGCAAPASXZKTDZ-LBXVMSDZSA-N	1	0	374.485	1.860	20	30		FDEDRO
C[NH+]=C(NCc1cccc(NC(=O)CCN2CCOCC2)c1)NC1CC1	ZINC000103338061	525348774	/nfs/dbraw/zinc/34/87/74/525348774.db2.gz	SNZDZMZTLHTFBC-UHFFFAOYSA-N	1	0	359.474	1.175	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CC1	ZINC000177829533	525350262	/nfs/dbraw/zinc/35/02/62/525350262.db2.gz	SLRAYZAOFYCRQW-LJQANCHMSA-N	1	0	356.426	1.121	20	30		FDEDRO
C#CCCCCNC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000126937874	525368017	/nfs/dbraw/zinc/36/80/17/525368017.db2.gz	UTDKUUFRSVTNOJ-LJQANCHMSA-N	1	0	370.497	1.987	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NCCC(=O)Nc1ccc(Br)cc1	ZINC000104177208	525397907	/nfs/dbraw/zinc/39/79/07/525397907.db2.gz	OSSYIUAPGOGVPD-SNVBAGLBSA-N	1	0	357.252	1.717	20	30		FDEDRO
Cn1cc(CCCNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)cn1	ZINC000104192705	525400418	/nfs/dbraw/zinc/40/04/18/525400418.db2.gz	PSGSPOXLPBVQGV-UHFFFAOYSA-N	1	0	350.467	1.220	20	30		FDEDRO
CC[NH+](CC)CCOc1ccc(CNC(=O)Cn2cnc(C#N)n2)cc1	ZINC000178411945	525424774	/nfs/dbraw/zinc/42/47/74/525424774.db2.gz	IFWRNRXOEUZCGE-UHFFFAOYSA-N	1	0	356.430	1.187	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)C1CC1	ZINC000118100436	525440831	/nfs/dbraw/zinc/44/08/31/525440831.db2.gz	LBXHONUMFVQUJW-CYBMUJFWSA-N	1	0	366.368	1.555	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000118103440	525446779	/nfs/dbraw/zinc/44/67/79/525446779.db2.gz	SDZHKTLYKSNILS-NSHDSACASA-N	1	0	352.341	1.309	20	30		FDEDRO
N#Cc1ncn(CC(=O)NCc2ccccc2C[NH+]2CCCCCC2)n1	ZINC000178574464	525447284	/nfs/dbraw/zinc/44/72/84/525447284.db2.gz	SZUKPOZEDQSAPP-UHFFFAOYSA-N	1	0	352.442	1.842	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1	ZINC000127657247	525447368	/nfs/dbraw/zinc/44/73/68/525447368.db2.gz	YSMINSICKWRCEV-UHFFFAOYSA-N	1	0	363.483	1.836	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(c3ccccc3OC)C2=O)CC1	ZINC000163794374	525450408	/nfs/dbraw/zinc/45/04/08/525450408.db2.gz	WBMGBTQRUFUKCL-INIZCTEOSA-N	1	0	355.438	1.262	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cc(C(C)=O)ccc2OC)c1C#N	ZINC000128211147	525515881	/nfs/dbraw/zinc/51/58/81/525515881.db2.gz	MKZDNWRGFYNAML-UHFFFAOYSA-N	1	0	369.425	1.826	20	30		FDEDRO
C[NH+]=C(NCc1cccc(N(C)C)n1)N[C@H]1CCc2nnc(C(C)C)n2C1	ZINC000178998586	525516825	/nfs/dbraw/zinc/51/68/25/525516825.db2.gz	WPZMNWCCZXFWNP-HNNXBMFYSA-N	1	0	370.505	1.543	20	30		FDEDRO
CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C	ZINC000128257445	525520231	/nfs/dbraw/zinc/52/02/31/525520231.db2.gz	XBDSGVVVGUAZBR-INIZCTEOSA-N	1	0	371.485	1.884	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(Cc2csc(CC)n2)CC1	ZINC000154418174	525527928	/nfs/dbraw/zinc/52/79/28/525527928.db2.gz	VBBMMGPFHPGPFA-CYBMUJFWSA-N	1	0	365.503	1.223	20	30		FDEDRO
C=CCC[C@@H](O)C[NH+]1CCN(CC(=O)N2CCCc3ccccc32)CC1	ZINC000128487032	525549049	/nfs/dbraw/zinc/54/90/49/525549049.db2.gz	NKEPWVAIAOJTFQ-LJQANCHMSA-N	1	0	357.498	1.911	20	30		FDEDRO
C[NH+]=C(NC[C@@H](C)N1CCc2sccc2C1)N1CCO[C@H](COC)C1	ZINC000179260938	525550069	/nfs/dbraw/zinc/55/00/69/525550069.db2.gz	JSLLQLXDACLEJN-ZBFHGGJFSA-N	1	0	366.531	1.417	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CCn2nnc3ccccc3c2=O)CC1	ZINC000106038282	525553624	/nfs/dbraw/zinc/55/36/24/525553624.db2.gz	UHLQEFREGUETNT-UHFFFAOYSA-N	1	0	355.442	1.338	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CCNC(=O)OCC(F)(F)F)CC1	ZINC000106034905	525554375	/nfs/dbraw/zinc/55/43/75/525554375.db2.gz	QPTWCPOITDXTCN-UHFFFAOYSA-N	1	0	351.369	1.822	20	30		FDEDRO
C=CCNc1ncc(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)s1	ZINC000128752546	525575879	/nfs/dbraw/zinc/57/58/79/525575879.db2.gz	RORGAUGVOMMBIY-HNNXBMFYSA-N	1	0	363.531	1.983	20	30		FDEDRO
N#Cc1cccc(C[NH2+]C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)c1	ZINC000166300103	525579510	/nfs/dbraw/zinc/57/95/10/525579510.db2.gz	CRPFEUJDYKIKCW-KRWDZBQOSA-N	1	0	351.406	1.972	20	30		FDEDRO
N#CC1(CS(=O)(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)CC1	ZINC000166385630	525581391	/nfs/dbraw/zinc/58/13/91/525581391.db2.gz	KOFBQHKMMRRSLA-KRWDZBQOSA-N	1	0	363.483	1.366	20	30		FDEDRO
Cc1cc(NC(=O)CO[NH+]=C(N)c2ccc(N3CCCCC3)cc2)n(C)n1	ZINC000154616655	525589955	/nfs/dbraw/zinc/58/99/55/525589955.db2.gz	IHBWFTJQRXVXHC-UHFFFAOYSA-N	1	0	370.457	1.994	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCCN(C(=O)C(C)C)CC2)CC1	ZINC000106275037	525686481	/nfs/dbraw/zinc/68/64/81/525686481.db2.gz	MDDBAZCISWBJNQ-UHFFFAOYSA-N	1	0	350.507	1.927	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO	ZINC000180712158	525746370	/nfs/dbraw/zinc/74/63/70/525746370.db2.gz	JFPLPWOVCXZZGP-SFHVURJKSA-N	1	0	352.438	1.783	20	30		FDEDRO
Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000181138524	525811070	/nfs/dbraw/zinc/81/10/70/525811070.db2.gz	ITWNKQOVWRURIT-MSOLQXFVSA-N	1	0	372.517	1.856	20	30		FDEDRO
C=CCNC(=O)C[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1	ZINC000181129954	525811513	/nfs/dbraw/zinc/81/15/13/525811513.db2.gz	QTWWCUSPCUYABG-UHFFFAOYSA-N	1	0	367.877	1.443	20	30		FDEDRO
CCC1(CO)CC[NH+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1	ZINC000181168243	525814478	/nfs/dbraw/zinc/81/44/78/525814478.db2.gz	BLTZHUOHGOCSJF-KRWDZBQOSA-N	1	0	350.507	1.163	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000106895677	525817444	/nfs/dbraw/zinc/81/74/44/525817444.db2.gz	YSXHQEYPKVSILT-GFCCVEGCSA-N	1	0	356.879	1.126	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)C[C@@H]1CCCO1	ZINC000171088316	525832834	/nfs/dbraw/zinc/83/28/34/525832834.db2.gz	LTEYGKRRBIVDFU-KRWDZBQOSA-N	1	0	351.472	1.431	20	30		FDEDRO
N#Cc1cccc(NC(=O)CC[NH+]2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1	ZINC000131219138	525836396	/nfs/dbraw/zinc/83/63/96/525836396.db2.gz	SHKXHVXHGXJWMG-GOSISDBHSA-N	1	0	369.469	1.301	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)c1cccs1	ZINC000171106502	525847601	/nfs/dbraw/zinc/84/76/01/525847601.db2.gz	ULBZEHRCCJLDNC-HNNXBMFYSA-N	1	0	356.451	1.769	20	30		FDEDRO
CC[C@@H]([NH2+][C@H](C)C(=O)N(C)CCC#N)c1cccc(S(N)(=O)=O)c1	ZINC000181743663	525916213	/nfs/dbraw/zinc/91/62/13/525916213.db2.gz	GFZWNVNRZQOWAU-IUODEOHRSA-N	1	0	352.460	1.135	20	30		FDEDRO
C[C@@H](Sc1nnnn1CC[NH+](C)C)C(=O)N(CCC#N)c1ccccc1	ZINC000108120491	525935830	/nfs/dbraw/zinc/93/58/30/525935830.db2.gz	KLCSGVWYBITQEQ-CQSZACIVSA-N	1	0	373.486	1.662	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1	ZINC000108404024	525965579	/nfs/dbraw/zinc/96/55/79/525965579.db2.gz	IZEOYMGSINSDSO-INIZCTEOSA-N	1	0	363.483	1.365	20	30		FDEDRO
N#Cc1cccc(NC(=O)CCN2CCN(C(=O)C[NH+]3CCCC3)CC2)c1	ZINC000171410288	525983984	/nfs/dbraw/zinc/98/39/84/525983984.db2.gz	INOFFFBUWFRRHA-UHFFFAOYSA-N	1	0	369.469	1.127	20	30		FDEDRO
NC(CCN1CC[NH+](Cc2ccccc2)CC1)=NOCCC1OCCO1	ZINC000120235578	526002832	/nfs/dbraw/zinc/00/28/32/526002832.db2.gz	DTTJLIDFPKFVMP-UHFFFAOYSA-N	1	0	362.474	1.246	20	30		FDEDRO
CC[N@H+](CCNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C1CC1	ZINC000108807877	526030025	/nfs/dbraw/zinc/03/00/25/526030025.db2.gz	ZNAAGTLVPSADJY-UHFFFAOYSA-N	1	0	364.471	1.011	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1[C@@H]2CC[C@H]1C[N@H+](CC)CC2	ZINC000133334550	526046762	/nfs/dbraw/zinc/04/67/62/526046762.db2.gz	CUANBHWYGCEMEI-CVEARBPZSA-N	1	0	373.428	1.861	20	30		FDEDRO
C[NH+](C)CC(=O)N1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1	ZINC000156090719	526052490	/nfs/dbraw/zinc/05/24/90/526052490.db2.gz	PWWLKIOMRKLAKH-UHFFFAOYSA-N	1	0	369.387	1.643	20	30		FDEDRO
N#Cc1cc(F)c(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c(F)c1	ZINC000133425262	526056863	/nfs/dbraw/zinc/05/68/63/526056863.db2.gz	CCFHGURHGXAWAD-LBPRGKRZSA-N	1	0	350.369	1.154	20	30		FDEDRO
C[NH+](C)CCNC(=O)C1CCN(Cc2cn3ccccc3c2C#N)CC1	ZINC000171657365	526063264	/nfs/dbraw/zinc/06/32/64/526063264.db2.gz	QTGMHSRKEJPMJH-UHFFFAOYSA-N	1	0	353.470	1.701	20	30		FDEDRO
CC(C)(O)C[NH+]1CCN(CC(=O)Nc2ccccc2SCC#N)CC1	ZINC000171671432	526071964	/nfs/dbraw/zinc/07/19/64/526071964.db2.gz	PNEZZPJBTHGGFW-UHFFFAOYSA-N	1	0	362.499	1.629	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1	ZINC000171733978	526101687	/nfs/dbraw/zinc/10/16/87/526101687.db2.gz	RIVYKZLERKTIOB-UHFFFAOYSA-N	1	0	352.232	1.684	20	30		FDEDRO
Cc1nn(C)c(C)c1CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000133969290	526112630	/nfs/dbraw/zinc/11/26/30/526112630.db2.gz	SDHIIRSEAUVGHG-AWEZNQCLSA-N	1	0	362.478	1.417	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)C)CC1	ZINC000171780928	526121358	/nfs/dbraw/zinc/12/13/58/526121358.db2.gz	QXBBNULOARGVJL-SFHVURJKSA-N	1	0	358.486	1.636	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000156500027	526150967	/nfs/dbraw/zinc/15/09/67/526150967.db2.gz	FGBIAQOMCCGGCK-GFCCVEGCSA-N	1	0	352.416	1.619	20	30		FDEDRO
C=CCNC(=O)CN1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000109673908	526162556	/nfs/dbraw/zinc/16/25/56/526162556.db2.gz	TYRKRRCMTXGVJG-SFHVURJKSA-N	1	0	357.502	1.218	20	30		FDEDRO
CC(C)(C)C[N@H+](CCC#N)CCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000109813245	526191064	/nfs/dbraw/zinc/19/10/64/526191064.db2.gz	AACAANAKMBSAEY-UHFFFAOYSA-N	1	0	366.487	1.924	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+]C3[C@@H](C)CCC[C@@H]3C)CC2)o1	ZINC000182735333	535854827	/nfs/dbraw/zinc/85/48/27/535854827.db2.gz	JPPZFTBMFGFBAT-KBPBESRZSA-N	1	0	359.474	1.918	20	30		FDEDRO
CC[C@@H](O)C[NH+]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000182814031	535867778	/nfs/dbraw/zinc/86/77/78/535867778.db2.gz	VZZNRGAIWFFQOL-RTBURBONSA-N	1	0	356.470	1.442	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](N3CC[NH+](C[C@H]4CCOC4)CC3)C2=O)cc1	ZINC000182829923	535871533	/nfs/dbraw/zinc/87/15/33/535871533.db2.gz	MASNDNCHQKSPMU-UYAOXDASSA-N	1	0	368.481	1.708	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(=O)n(C)c1)C(C)C	ZINC000182962414	535895710	/nfs/dbraw/zinc/89/57/10/535895710.db2.gz	OEHYTPHTUQYUCY-MRXNPFEDSA-N	1	0	360.458	1.139	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1	ZINC000183432500	535981353	/nfs/dbraw/zinc/98/13/53/535981353.db2.gz	JKXBHZPJMDDCGW-UHFFFAOYSA-N	1	0	374.441	1.790	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1	ZINC000185452005	536209137	/nfs/dbraw/zinc/20/91/37/536209137.db2.gz	FWVKFSNWZMVGJT-KGLIPLIRSA-N	1	0	351.472	1.966	20	30		FDEDRO
COCCNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)c1	ZINC000185837441	536218788	/nfs/dbraw/zinc/21/87/88/536218788.db2.gz	JXDHBJAQUOJIOI-GDBMZVCRSA-N	1	0	351.472	1.783	20	30		FDEDRO
C#C[C@@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000186092457	536225190	/nfs/dbraw/zinc/22/51/90/536225190.db2.gz	OWWWKTZTILRVEU-MSOLQXFVSA-N	1	0	355.486	1.647	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1	ZINC000187330170	536262263	/nfs/dbraw/zinc/26/22/63/536262263.db2.gz	UWXAJUZYVHAKCB-CVEARBPZSA-N	1	0	357.454	1.874	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2cccc(F)c2C#N)c1	ZINC000187499687	536267749	/nfs/dbraw/zinc/26/77/49/536267749.db2.gz	PCWLXYUJJDHSHL-UHFFFAOYSA-N	1	0	368.412	1.919	20	30		FDEDRO
C[NH+]=C(NCCc1nc(C(F)(F)F)cs1)N1CCN(C(C)=O)CC1	ZINC000262803762	536905902	/nfs/dbraw/zinc/90/59/02/536905902.db2.gz	RWRYNZOZSOAVHZ-UHFFFAOYSA-N	1	0	363.409	1.444	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)CN1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1	ZINC000246242822	536908709	/nfs/dbraw/zinc/90/87/09/536908709.db2.gz	DKPZEAUDHLBTBS-YSIASYRMSA-N	1	0	362.514	1.932	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(=O)OCCC)cc2)CC1	ZINC000266680531	536918641	/nfs/dbraw/zinc/91/86/41/536918641.db2.gz	KOJJNSKNAXILED-UHFFFAOYSA-N	1	0	373.453	1.959	20	30		FDEDRO
C[NH+](C)C1CCN(CCNC(=O)Nc2ncccc2OCCCC#N)CC1	ZINC000188687552	536926628	/nfs/dbraw/zinc/92/66/28/536926628.db2.gz	AATIUKPVPMMDDO-UHFFFAOYSA-N	1	0	374.489	1.912	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2C#N)CCN1CC(C)(C)O	ZINC000188802084	536951538	/nfs/dbraw/zinc/95/15/38/536951538.db2.gz	DZOBVHYSTWRRPL-LBPRGKRZSA-N	1	0	371.890	1.677	20	30		FDEDRO
CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)CCCC#N	ZINC000188959768	536977272	/nfs/dbraw/zinc/97/72/72/536977272.db2.gz	IORQQEXWKHVXRN-KRWDZBQOSA-N	1	0	351.472	1.189	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N3CC[N@@H+](C)C[C@H]3C(C)C)CC2)o1	ZINC000189083278	536993972	/nfs/dbraw/zinc/99/39/72/536993972.db2.gz	DQLQHBNJIRTQMX-KRWDZBQOSA-N	1	0	359.474	1.870	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2cc(C#N)ccc2C)CC1	ZINC000189118082	537000667	/nfs/dbraw/zinc/00/06/67/537000667.db2.gz	ANOOEOPBOFDODS-HNNXBMFYSA-N	1	0	350.488	1.171	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)CN2CC[NH+](C[C@@H](C)O)CC2)c(OC)c1	ZINC000189344557	537030820	/nfs/dbraw/zinc/03/08/20/537030820.db2.gz	CVRSBKTYFJWTCX-SJLPKXTDSA-N	1	0	364.486	1.162	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCc2cc(C#N)ccc2F)CC1=O	ZINC000246811043	537032469	/nfs/dbraw/zinc/03/24/69/537032469.db2.gz	KQHLCOCDIRECEC-DLBZAZTESA-N	1	0	372.444	1.646	20	30		FDEDRO
CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000246982903	537063189	/nfs/dbraw/zinc/06/31/89/537063189.db2.gz	KDYFIAQQBSUMRC-KGLIPLIRSA-N	1	0	366.487	1.072	20	30		FDEDRO
C=CCOc1ccccc1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C	ZINC000263694387	537067979	/nfs/dbraw/zinc/06/79/79/537067979.db2.gz	NGTDCMWNLPUBHX-QGZVFWFLSA-N	1	0	359.470	1.924	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCCc1ccccc1Br	ZINC000264098980	537137051	/nfs/dbraw/zinc/13/70/51/537137051.db2.gz	NNWYSHZDPHIDIM-UHFFFAOYSA-N	1	0	369.307	1.618	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1	ZINC000265136055	537151350	/nfs/dbraw/zinc/15/13/50/537151350.db2.gz	IDCRNRQZWKUWJX-LJQANCHMSA-N	1	0	372.513	1.770	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@H](O)c2cc(OC)cc(OC)c2)CC1	ZINC000265431822	537152845	/nfs/dbraw/zinc/15/28/45/537152845.db2.gz	IRPHBTBBVUJMKW-SFHVURJKSA-N	1	0	363.458	1.687	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000191071552	537196917	/nfs/dbraw/zinc/19/69/17/537196917.db2.gz	JNBYDIMGUMHLHF-LJQANCHMSA-N	1	0	364.449	1.121	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1	ZINC000193498414	537249350	/nfs/dbraw/zinc/24/93/50/537249350.db2.gz	ICTWOMZYQRJUIR-GASCZTMLSA-N	1	0	350.463	1.547	20	30		FDEDRO
C[C@H](NC(=[NH2+])NCCNS(C)(=O)=O)c1ccc(Cl)cc1Cl	ZINC000261990298	537253625	/nfs/dbraw/zinc/25/36/25/537253625.db2.gz	LRLZMTIFWFOXRT-QMMMGPOBSA-N	1	0	353.275	1.508	20	30		FDEDRO
CSCc1cccc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)c1	ZINC000262786295	537254745	/nfs/dbraw/zinc/25/47/45/537254745.db2.gz	MNSJANYGALMHLO-UHFFFAOYSA-N	1	0	356.499	1.977	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NC3CC[NH+](CC4CC4)CC3)CC2)nc1	ZINC000194158178	537259684	/nfs/dbraw/zinc/25/96/84/537259684.db2.gz	HEWKSRYFWPGNLA-UHFFFAOYSA-N	1	0	368.485	1.659	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)CN2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)cc1	ZINC000363675510	537273515	/nfs/dbraw/zinc/27/35/15/537273515.db2.gz	XSQKCPKOVJTTBO-GUDVDZBRSA-N	1	0	359.470	1.219	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)C[C@H](C)C(=O)OC)c(OC)c1	ZINC000298733351	537292217	/nfs/dbraw/zinc/29/22/17/537292217.db2.gz	PLNLGRCJPOXOKT-HOCLYGCPSA-N	1	0	351.443	1.904	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)c1C#N	ZINC000278399989	537313115	/nfs/dbraw/zinc/31/31/15/537313115.db2.gz	ONXWRGDWYINFFG-HNNXBMFYSA-N	1	0	358.442	1.422	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)nc1	ZINC000293055634	537317221	/nfs/dbraw/zinc/31/72/21/537317221.db2.gz	OOXXSEODHKBOTH-AWEZNQCLSA-N	1	0	369.450	1.907	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](C)C1=CC[N@H+](C)CC1	ZINC000272746898	537328316	/nfs/dbraw/zinc/32/83/16/537328316.db2.gz	DJXWWHFXHDGKCO-CYBMUJFWSA-N	1	0	366.469	1.917	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1	ZINC000278486367	537337095	/nfs/dbraw/zinc/33/70/95/537337095.db2.gz	YLDJFQZGGCCQLW-HNNXBMFYSA-N	1	0	358.442	1.422	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)Nc3ccccc3)C2)CC1	ZINC000282879705	537343194	/nfs/dbraw/zinc/34/31/94/537343194.db2.gz	SBSASVAYRSTQTK-SFHVURJKSA-N	1	0	354.454	1.754	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[N@H+](CC)C[C@@H](O)COc1ccc(CCOC)cc1	ZINC000293105115	537345550	/nfs/dbraw/zinc/34/55/50/537345550.db2.gz	YCGGZWOLRZKBKD-FUHWJXTLSA-N	1	0	362.470	1.075	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1	ZINC000293107479	537346602	/nfs/dbraw/zinc/34/66/02/537346602.db2.gz	CPTWFDHZGVLZRA-HXUWFJFHSA-N	1	0	370.453	1.838	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NC1CC[NH+](CCc2ccccc2)CC1	ZINC000283084783	537351515	/nfs/dbraw/zinc/35/15/15/537351515.db2.gz	VZCFMIPXWWBGMG-INIZCTEOSA-N	1	0	364.515	1.762	20	30		FDEDRO
C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3cc(C#N)cn3C(C)(C)C)C2)C1	ZINC000293135696	537365804	/nfs/dbraw/zinc/36/58/04/537365804.db2.gz	GEWMWEDTNZAQKS-IBGZPJMESA-N	1	0	357.458	1.607	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000283337204	537371741	/nfs/dbraw/zinc/37/17/41/537371741.db2.gz	GPWAQOWEMBISRT-UHFFFAOYSA-N	1	0	370.497	1.121	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCC2(c3ccc(F)cc3)CC2)CC1	ZINC000283904718	537392270	/nfs/dbraw/zinc/39/22/70/537392270.db2.gz	MERKYWZBAUUNSI-UHFFFAOYSA-N	1	0	359.445	1.740	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(C(=O)c2ccc(C(C)C)nc2CC)CC1	ZINC000293241060	537398449	/nfs/dbraw/zinc/39/84/49/537398449.db2.gz	YNVLALDSZTXMQS-UHFFFAOYSA-N	1	0	370.497	1.665	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000283971315	537398978	/nfs/dbraw/zinc/39/89/78/537398978.db2.gz	GSSXYDBZVFTFNA-UHFFFAOYSA-N	1	0	358.486	1.349	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(N2CCCCC2=O)c1	ZINC000293333251	537416918	/nfs/dbraw/zinc/41/69/18/537416918.db2.gz	JPUMLXBVHCDYAF-UHFFFAOYSA-N	1	0	370.453	1.213	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1	ZINC000273373040	537438769	/nfs/dbraw/zinc/43/87/69/537438769.db2.gz	XVIFCWYAGIKPEK-HXUWFJFHSA-N	1	0	374.529	1.821	20	30		FDEDRO
CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCCCCC#N)c1	ZINC000288081282	537451490	/nfs/dbraw/zinc/45/14/90/537451490.db2.gz	QMWMHHLKVNYCQT-UHFFFAOYSA-N	1	0	373.457	1.715	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)CC1	ZINC000271605843	537464316	/nfs/dbraw/zinc/46/43/16/537464316.db2.gz	JIXAPYDFJOFSGI-IAGOWNOFSA-N	1	0	358.490	1.281	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1	ZINC000299197875	537473411	/nfs/dbraw/zinc/47/34/11/537473411.db2.gz	UCGVOSZMMWXOMP-NRFANRHFSA-N	1	0	366.465	1.627	20	30		FDEDRO
COc1ccc(OC)c(CN2CCN(c3nc(C)cc(C#N)n3)CC2)c1	ZINC000281059646	537492570	/nfs/dbraw/zinc/49/25/70/537492570.db2.gz	YRAWTEIXNHWBDJ-UHFFFAOYSA-N	1	0	353.426	1.996	20	30		FDEDRO
CC[N@H+](CCCO)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000271915951	537508099	/nfs/dbraw/zinc/50/80/99/537508099.db2.gz	JKWHSOISAPNZIW-SFHVURJKSA-N	1	0	362.449	1.239	20	30		FDEDRO
CN1CCN(C(=O)CC[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)CC1	ZINC000275346540	537555769	/nfs/dbraw/zinc/55/57/69/537555769.db2.gz	YTQVYZKSAVRXKP-IBGZPJMESA-N	1	0	355.486	1.033	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N(C)C2CC[NH+](CCC)CC2)c1	ZINC000275728897	537558874	/nfs/dbraw/zinc/55/88/74/537558874.db2.gz	UDQDEAOKLYLGDF-UHFFFAOYSA-N	1	0	357.454	1.970	20	30		FDEDRO
CCn1nc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc1C1CC1	ZINC000275796122	537572818	/nfs/dbraw/zinc/57/28/18/537572818.db2.gz	HDQPCCCKWVVRJM-UHFFFAOYSA-N	1	0	360.462	1.413	20	30		FDEDRO
[NH2+]=C(NCc1ccc(S(=O)(=O)CCO)cc1)NC1CCCCCC1	ZINC000276576754	537586073	/nfs/dbraw/zinc/58/60/73/537586073.db2.gz	DODHECBWSSEBBK-UHFFFAOYSA-N	1	0	353.488	1.580	20	30		FDEDRO
CCNC(=[NH2+])NCCCNC(=O)c1cc(OC)ccc1Br	ZINC000276587569	537591491	/nfs/dbraw/zinc/59/14/91/537591491.db2.gz	FYINLLRHVGZIOD-UHFFFAOYSA-N	1	0	357.252	1.502	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC1	ZINC000304747987	537599437	/nfs/dbraw/zinc/59/94/37/537599437.db2.gz	GWJXZNGLIDLMPV-BFHYXJOUSA-N	1	0	352.479	1.667	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1CC(=O)NCc1cccc(C#N)c1	ZINC000365882302	537599791	/nfs/dbraw/zinc/59/97/91/537599791.db2.gz	RPPUPDLGWSLTBY-MRXNPFEDSA-N	1	0	356.470	1.360	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2CC[NH2+]C2)c1	ZINC000237092052	537611190	/nfs/dbraw/zinc/61/11/90/537611190.db2.gz	WEWQVJZEWZEQTH-OGAOFSLMSA-N	1	0	350.444	1.047	20	30		FDEDRO
COc1cc(C[NH2+]Cc2cnc3ccc(C#N)cn23)ccc1OCC(N)=O	ZINC000237228518	537618924	/nfs/dbraw/zinc/61/89/24/537618924.db2.gz	QSEZFLLDCNNJEK-UHFFFAOYSA-N	1	0	365.393	1.368	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)c3cc(C(C)(C)C)nn3C)CC2)C1=O	ZINC000329163367	537634899	/nfs/dbraw/zinc/63/48/99/537634899.db2.gz	GKBJPGJFYDOMJJ-AWEZNQCLSA-N	1	0	361.490	1.717	20	30		FDEDRO
CC(C)Oc1ccc(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)cn1	ZINC000329167270	537635135	/nfs/dbraw/zinc/63/51/35/537635135.db2.gz	INHFPBKXLNEAFX-INIZCTEOSA-N	1	0	360.458	1.869	20	30		FDEDRO
O=C(CC1([NH+]2CCOCC2)CCCC1)N1CC[C@H](NC(=O)NC2CC2)C1	ZINC000329545069	537638508	/nfs/dbraw/zinc/63/85/08/537638508.db2.gz	ZEDMPBROKYYGSD-INIZCTEOSA-N	1	0	364.490	1.288	20	30		FDEDRO
O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCS(=O)(=O)C2(CCCCC2)C1	ZINC000329834391	537643026	/nfs/dbraw/zinc/64/30/26/537643026.db2.gz	UNDCWXPROOYPAG-CVEARBPZSA-N	1	0	369.531	1.961	20	30		FDEDRO
Cc1nn(C)c(-n2ccnc2C)c1C(=O)NC[C@H](C)N1CC[NH+](C)CC1	ZINC000330357197	537655389	/nfs/dbraw/zinc/65/53/89/537655389.db2.gz	SNASOWCBWVPTHM-ZDUSSCGKSA-N	1	0	359.478	1.163	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CCC(=O)N(CCC#N)c1ccccc1	ZINC000294107998	537659086	/nfs/dbraw/zinc/65/90/86/537659086.db2.gz	YWQBQCNGJRZAIJ-UHFFFAOYSA-N	1	0	354.454	1.785	20	30		FDEDRO
C#CCNC(=O)CC[N@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000294281062	537679763	/nfs/dbraw/zinc/67/97/63/537679763.db2.gz	WBSSLUTVHVJGLO-UHFFFAOYSA-N	1	0	365.433	1.444	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc1	ZINC000292006474	537698652	/nfs/dbraw/zinc/69/86/52/537698652.db2.gz	VQMKXVORNAXOLU-CQSZACIVSA-N	1	0	353.488	1.609	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000294566362	537706057	/nfs/dbraw/zinc/70/60/57/537706057.db2.gz	XAQAKYWESDRJBR-KRWDZBQOSA-N	1	0	359.470	1.362	20	30		FDEDRO
Cc1cc(CON=C(N)CCN2CC[NH+](Cc3ccccc3)CC2)ncn1	ZINC000292138830	537711798	/nfs/dbraw/zinc/71/17/98/537711798.db2.gz	UAWPBJGQIRWRCV-UHFFFAOYSA-N	1	0	368.485	1.782	20	30		FDEDRO
NC(=O)c1ncn(C2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)c1N	ZINC000297654697	537715288	/nfs/dbraw/zinc/71/52/88/537715288.db2.gz	NLHMYSFGNWPGOJ-UHFFFAOYSA-N	1	0	357.845	1.906	20	30		FDEDRO
CN(C[C@@H]1CCCN(Cc2cn3ccccc3c2C#N)C1)S(C)(=O)=O	ZINC000285581127	537732963	/nfs/dbraw/zinc/73/29/63/537732963.db2.gz	KXYLAYKMFJYHGJ-HNNXBMFYSA-N	1	0	360.483	1.914	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc(-c4cccc(C#N)c4)no3)[C@@H]2C1	ZINC000285730227	537751827	/nfs/dbraw/zinc/75/18/27/537751827.db2.gz	KJLOMDYCLFTNRV-SJORKVTESA-N	1	0	352.394	1.758	20	30		FDEDRO
CN(C[C@@H]1CCC[N@H+](Cc2ccc(OCC#N)cc2)C1)S(C)(=O)=O	ZINC000285750865	537755467	/nfs/dbraw/zinc/75/54/67/537755467.db2.gz	WPAUAOXENKFVDA-INIZCTEOSA-N	1	0	351.472	1.692	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC[N@@H+](C2CCOCC2)CC1	ZINC000366710153	537828115	/nfs/dbraw/zinc/82/81/15/537828115.db2.gz	ORJHJJRKCFBEBR-SJLPKXTDSA-N	1	0	351.491	1.864	20	30		FDEDRO
C[C@@]1(CNC(=O)C(=O)NCCSCc2ccccc2C#N)CCC[NH2+]C1	ZINC000418926544	537851242	/nfs/dbraw/zinc/85/12/42/537851242.db2.gz	RPPYFEWKABRSPB-LJQANCHMSA-N	1	0	374.510	1.414	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)N[C@H]1CCC[C@@H]1C[NH3+]	ZINC000418928740	537855078	/nfs/dbraw/zinc/85/50/78/537855078.db2.gz	VNLJQDMVKNFHQE-ZBFHGGJFSA-N	1	0	360.483	1.151	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1ccc(C[NH+](C)C)c(F)c1	ZINC000409509192	537855534	/nfs/dbraw/zinc/85/55/34/537855534.db2.gz	IIHYLXPARGLESI-ZDUSSCGKSA-N	1	0	356.467	1.703	20	30		FDEDRO
CC(C)(CC[NH+]1CCCCCC1)NS(=O)(=O)N1CCO[C@H](C#N)C1	ZINC000409516007	537858916	/nfs/dbraw/zinc/85/89/16/537858916.db2.gz	WBYRGSUHNOERFX-OAHLLOKOSA-N	1	0	358.508	1.090	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1	ZINC000409517282	537858960	/nfs/dbraw/zinc/85/89/60/537858960.db2.gz	ZHLSMDMIUGPOSJ-GOSISDBHSA-N	1	0	364.515	1.967	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1	ZINC000412004409	537934397	/nfs/dbraw/zinc/93/43/97/537934397.db2.gz	CLHWFVWAUMFYBU-KRWDZBQOSA-N	1	0	361.442	1.118	20	30		FDEDRO
C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000419106706	537942924	/nfs/dbraw/zinc/94/29/24/537942924.db2.gz	DJKREOIMZUGRLX-LBPRGKRZSA-N	1	0	355.360	1.145	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1	ZINC000377140349	537956188	/nfs/dbraw/zinc/95/61/88/537956188.db2.gz	MCJHLGRYIKEEDC-AKCHCHLHSA-N	1	0	365.437	1.623	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)cc1	ZINC000377117582	537956974	/nfs/dbraw/zinc/95/69/74/537956974.db2.gz	AMRDZKRTYWCGBP-WQVCFCJDSA-N	1	0	354.451	1.497	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)CC1	ZINC000368525135	537982957	/nfs/dbraw/zinc/98/29/57/537982957.db2.gz	BBCVYUFDMUKEHX-FOIQADDNSA-N	1	0	374.485	1.091	20	30		FDEDRO
C=CCC[C@H](CO)NC(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1	ZINC000415255830	537989087	/nfs/dbraw/zinc/98/90/87/537989087.db2.gz	NBVYUIJRAZOKHN-GFCCVEGCSA-N	1	0	359.348	1.546	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]([NH2+]C)C2)cc1	ZINC000415294217	537992652	/nfs/dbraw/zinc/99/26/52/537992652.db2.gz	FLINBVOVPGXJGS-KRWDZBQOSA-N	1	0	370.453	1.260	20	30		FDEDRO
CN1CC[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)[C@@H]1c1ccc(F)cc1	ZINC000377655199	537993751	/nfs/dbraw/zinc/99/37/51/537993751.db2.gz	SXHFQZPLGDUPJI-HKUYNNGSSA-N	1	0	357.433	1.816	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1	ZINC000369040701	537997399	/nfs/dbraw/zinc/99/73/99/537997399.db2.gz	GXTLOHAWQPDGFW-IAGOWNOFSA-N	1	0	358.442	1.587	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C	ZINC000369123318	538000563	/nfs/dbraw/zinc/00/05/63/538000563.db2.gz	ZUTTUJDYZQGUAO-SJORKVTESA-N	1	0	364.515	1.919	20	30		FDEDRO
N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CCC[NH2+]CC1	ZINC000415324853	538009241	/nfs/dbraw/zinc/00/92/41/538009241.db2.gz	VGQQPFLVEWSRCZ-UHFFFAOYSA-N	1	0	365.393	1.506	20	30		FDEDRO
N#Cc1ccc(NC(=O)CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1Cl	ZINC000369282238	538009936	/nfs/dbraw/zinc/00/99/36/538009936.db2.gz	ZIIPXKNMFGVORQ-SJORKVTESA-N	1	0	362.861	1.681	20	30		FDEDRO
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NC(C)(C)C[NH3+]	ZINC000415379660	538026323	/nfs/dbraw/zinc/02/63/23/538026323.db2.gz	KAFSYCZGDVZZNM-UHFFFAOYSA-N	1	0	367.409	1.846	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC[NH2+]1	ZINC000415448288	538052265	/nfs/dbraw/zinc/05/22/65/538052265.db2.gz	XTZFGQOKJQMXAK-VIFPVBQESA-N	1	0	351.204	1.080	20	30		FDEDRO
C[NH2+]C[C@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1	ZINC000417581631	538054179	/nfs/dbraw/zinc/05/41/79/538054179.db2.gz	TYVMEDIYHKUWHA-CVEARBPZSA-N	1	0	359.449	1.917	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1	ZINC000372953563	538068429	/nfs/dbraw/zinc/06/84/29/538068429.db2.gz	TUKYXVXIDQYJAC-CABCVRRESA-N	1	0	356.426	1.638	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1	ZINC000378194477	538078133	/nfs/dbraw/zinc/07/81/33/538078133.db2.gz	ZCNRXDALSRQZDE-QGZVFWFLSA-N	1	0	369.469	1.044	20	30		FDEDRO
COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N2CCC(C#N)CC2)cc1	ZINC000419888236	538131796	/nfs/dbraw/zinc/13/17/96/538131796.db2.gz	LMFQGJFLCDFHKA-ZWKOTPCHSA-N	1	0	370.453	1.019	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H](C[NH3+])CC(C)C	ZINC000419982553	538173567	/nfs/dbraw/zinc/17/35/67/538173567.db2.gz	VODHYNNDPRZVNP-KRWDZBQOSA-N	1	0	360.458	1.023	20	30		FDEDRO
Cc1nc(C(=O)Nc2ccc(OC[C@H](O)C[NH+](C)C)cc2)ccc1C#N	ZINC000444545157	538175179	/nfs/dbraw/zinc/17/51/79/538175179.db2.gz	GPHSZUJALKYSID-MRXNPFEDSA-N	1	0	354.410	1.815	20	30		FDEDRO
C[NH+](C)C[C@@H](O)COc1ccc(NS(=O)(=O)CC2(CC#N)CC2)cc1	ZINC000451225734	538210944	/nfs/dbraw/zinc/21/09/44/538210944.db2.gz	JJNAMRZQMXFOGG-OAHLLOKOSA-N	1	0	367.471	1.423	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@@](C)(OC)C2CC2)CC1	ZINC000422291167	538214601	/nfs/dbraw/zinc/21/46/01/538214601.db2.gz	CVGGGOCCZDGFEA-IFXJQAMLSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](CC)O[C@H](CC)C2)CC1	ZINC000422299093	538218660	/nfs/dbraw/zinc/21/86/60/538218660.db2.gz	SWOVUUVQBNRLKG-IAGOWNOFSA-N	1	0	351.491	1.559	20	30		FDEDRO
CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000433344490	538227549	/nfs/dbraw/zinc/22/75/49/538227549.db2.gz	RXBUMIHITJXDII-IRXDYDNUSA-N	1	0	352.442	1.863	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2cc3occc3s2)CC1	ZINC000424115602	538239064	/nfs/dbraw/zinc/23/90/64/538239064.db2.gz	AOQOQGKISMHVIB-LBPRGKRZSA-N	1	0	360.439	1.800	20	30		FDEDRO
CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)[C@@H]([NH3+])CCCC#N)c1	ZINC000424124550	538241315	/nfs/dbraw/zinc/24/13/15/538241315.db2.gz	PAHWACQPIZOJHF-WFASDCNBSA-N	1	0	352.460	1.723	20	30		FDEDRO
C=CCC1(C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCOCC1	ZINC000424151868	538246998	/nfs/dbraw/zinc/24/69/98/538246998.db2.gz	INTCIYGOFKBSCK-DLBZAZTESA-N	1	0	363.502	1.466	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O	ZINC000424173249	538248445	/nfs/dbraw/zinc/24/84/45/538248445.db2.gz	OEDKDHZHXGZFFE-KBPBESRZSA-N	1	0	352.797	1.722	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC2(C[NH3+])CCCC2)cc1Br	ZINC000420414222	538288327	/nfs/dbraw/zinc/28/83/27/538288327.db2.gz	GTFQHVAOJMWKBM-UHFFFAOYSA-N	1	0	358.261	1.871	20	30		FDEDRO
C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1	ZINC000420415452	538289109	/nfs/dbraw/zinc/28/91/09/538289109.db2.gz	IHGPTMGOHCNEDP-JTQLQIEISA-N	1	0	358.261	1.551	20	30		FDEDRO
C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(Br)c2C#N)CC[NH2+]1	ZINC000420429654	538294265	/nfs/dbraw/zinc/29/42/65/538294265.db2.gz	AUGWMOILCZFYPX-ZJUUUORDSA-N	1	0	358.261	1.740	20	30		FDEDRO
COCC(C)(C)[NH+]1CCN([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1	ZINC000424522852	538323889	/nfs/dbraw/zinc/32/38/89/538323889.db2.gz	HSXOQFPXFMQKBV-KRWDZBQOSA-N	1	0	370.453	1.233	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1	ZINC000447259558	538363736	/nfs/dbraw/zinc/36/37/36/538363736.db2.gz	YHKWHWXTGLMEMV-WCFLWFBJSA-N	1	0	350.400	1.214	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2cnn(CC(=O)NC3CCCC3)c2)CC1	ZINC000435017087	538373978	/nfs/dbraw/zinc/37/39/78/538373978.db2.gz	SAJGYTPXZAUJSP-UHFFFAOYSA-N	1	0	373.501	1.712	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000457122338	538474547	/nfs/dbraw/zinc/47/45/47/538474547.db2.gz	ONNXRCNVGHSTMR-KRWDZBQOSA-N	1	0	352.442	1.881	20	30		FDEDRO
N#C[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1	ZINC000461773485	538562986	/nfs/dbraw/zinc/56/29/86/538562986.db2.gz	PAGBCRBTMFBYDM-HOCLYGCPSA-N	1	0	372.494	1.982	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)NCc2ccc(C#N)c(F)c2)CC1	ZINC000454618926	538570012	/nfs/dbraw/zinc/57/00/12/538570012.db2.gz	LXRZZYKPJHIBGT-OAHLLOKOSA-N	1	0	361.465	1.770	20	30		FDEDRO
COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H](C)n3cnc(C#N)n3)CC2)cc1	ZINC000467011997	538592592	/nfs/dbraw/zinc/59/25/92/538592592.db2.gz	GJIQVGCTQLEGKO-HNNXBMFYSA-N	1	0	368.441	1.454	20	30		FDEDRO
C[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1cccc(C#N)c1	ZINC000462255415	538609100	/nfs/dbraw/zinc/60/91/00/538609100.db2.gz	QXYWAHSLNZTEPW-YJBOKZPZSA-N	1	0	354.454	1.427	20	30		FDEDRO
CC[NH+](CC)C[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000482160185	538613268	/nfs/dbraw/zinc/61/32/68/538613268.db2.gz	ZHCWRKLEZOVXPS-KBPBESRZSA-N	1	0	366.487	1.072	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1CNS(=O)(=O)CC1(C#N)CCC1	ZINC000477547286	538650845	/nfs/dbraw/zinc/65/08/45/538650845.db2.gz	UMUYDZJJRHVMOW-UHFFFAOYSA-N	1	0	351.472	1.740	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)o1	ZINC000502035334	538707980	/nfs/dbraw/zinc/70/79/80/538707980.db2.gz	JRNADEKPHMKFLF-DLBZAZTESA-N	1	0	350.422	1.840	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)Oc3ccccc32)CC1	ZINC000478095607	538715132	/nfs/dbraw/zinc/71/51/32/538715132.db2.gz	JZUTYAJSYKKNCG-OAHLLOKOSA-N	1	0	357.454	1.957	20	30		FDEDRO
CC[C@H](C)c1ncc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cn1	ZINC000484308231	538771252	/nfs/dbraw/zinc/77/12/52/538771252.db2.gz	FECNHZBJAKLJFL-AWEZNQCLSA-N	1	0	360.462	1.623	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H](CC)Nc2c([N+](=O)[O-])c(C)nn2C)CC1	ZINC000469022383	538773372	/nfs/dbraw/zinc/77/33/72/538773372.db2.gz	SMFMSGRPBFPEHK-AWEZNQCLSA-N	1	0	364.450	1.594	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCc2cccc(C#N)c2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000485560261	538846840	/nfs/dbraw/zinc/84/68/40/538846840.db2.gz	HKVGGZHAIAXWCH-APWZRJJASA-N	1	0	355.486	1.726	20	30		FDEDRO
N#Cc1c(F)cccc1N1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)CC1	ZINC000561211542	545747697	/nfs/dbraw/zinc/74/76/97/545747697.db2.gz	FWJLWARPVFYUBV-OAHLLOKOSA-N	1	0	359.449	1.919	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CCOC)[C@H]2CC[C@@H](C)C2)CC1	ZINC000561452315	545858122	/nfs/dbraw/zinc/85/81/22/545858122.db2.gz	FUHNIWHHCYUHEX-AEFFLSMTSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1	ZINC000561488433	545871449	/nfs/dbraw/zinc/87/14/49/545871449.db2.gz	BAFRTVALHWMUON-QGZVFWFLSA-N	1	0	373.497	1.989	20	30		FDEDRO
CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCN(c2cnccc2C#N)CC1	ZINC000562330142	546096447	/nfs/dbraw/zinc/09/64/47/546096447.db2.gz	CNYCZKRGNBFUAU-KRWDZBQOSA-N	1	0	358.490	1.761	20	30		FDEDRO
N#Cc1ccc(N2C[C@@H](C(=O)NCC[N@H+]3CC=CCC3)CC2=O)cc1Cl	ZINC000562547197	546175385	/nfs/dbraw/zinc/17/53/85/546175385.db2.gz	DTHDOSDALANTSW-HNNXBMFYSA-N	1	0	372.856	1.943	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]C[C@H]3C[C@@H](O)CN3Cc3ccccc3)cnc12	ZINC000563149082	546425695	/nfs/dbraw/zinc/42/56/95/546425695.db2.gz	DQPMLRSHTUVJJU-RTBURBONSA-N	1	0	362.437	1.326	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CNc1ccc(C#N)cn1	ZINC000563187979	546437922	/nfs/dbraw/zinc/43/79/22/546437922.db2.gz	YTEMVSLXUCTTNZ-APWZRJJASA-N	1	0	363.465	2.392	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)c1C#N	ZINC000563819095	546697019	/nfs/dbraw/zinc/69/70/19/546697019.db2.gz	YDTWGMHGTFDIDJ-UHFFFAOYSA-N	1	0	356.474	1.123	20	30		FDEDRO
CC[NH+](CC)CCS(=O)(=O)N1CCN(c2ccc(C#N)cc2F)CC1	ZINC000563842355	546704370	/nfs/dbraw/zinc/70/43/70/546704370.db2.gz	QKYJLIRAGWYCAX-UHFFFAOYSA-N	1	0	368.478	1.491	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCC(CC[NH3+])CC3)C2=O)cc1	ZINC000563891954	546726162	/nfs/dbraw/zinc/72/61/62/546726162.db2.gz	KGRMDZJIHUITGZ-SFHVURJKSA-N	1	0	369.469	1.824	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C	ZINC000563979985	546763080	/nfs/dbraw/zinc/76/30/80/546763080.db2.gz	KDAPHZZGGZUHMK-SJORKVTESA-N	1	0	353.507	1.709	20	30		FDEDRO
CCN(CC)C(=O)C[NH+]1CCC(NC(=O)[C@@]2(C#N)CC23CCCC3)CC1	ZINC000564099988	546807818	/nfs/dbraw/zinc/80/78/18/546807818.db2.gz	RJECEOAEVVRMJY-FQEVSTJZSA-N	1	0	360.502	1.909	20	30		FDEDRO
N#CCCN(C(=O)C[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1)c1ccccc1	ZINC000564288967	546868575	/nfs/dbraw/zinc/86/85/75/546868575.db2.gz	AVYALLGTRRPIMN-QRQLOZEOSA-N	1	0	357.454	1.795	20	30		FDEDRO
COc1cc(C[NH2+]Cc2cnc(N3CCN(C)CC3)nc2)ccc1C#N	ZINC000564419247	546908833	/nfs/dbraw/zinc/90/88/33/546908833.db2.gz	NGGJFYBVSBQFBP-UHFFFAOYSA-N	1	0	352.442	1.398	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1	ZINC000564543463	546948013	/nfs/dbraw/zinc/94/80/13/546948013.db2.gz	OWHNJWNAHQDMFK-IBGZPJMESA-N	1	0	366.465	1.770	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+]	ZINC000564975292	547137707	/nfs/dbraw/zinc/13/77/07/547137707.db2.gz	KXRMKAWFGBUBOM-LJQANCHMSA-N	1	0	362.433	1.601	20	30		FDEDRO
C[C@H]1COCCN1C1CCN(S(=O)(=O)CC2(C#N)CCCCC2)CC1	ZINC000565547420	547393303	/nfs/dbraw/zinc/39/33/03/547393303.db2.gz	AVXGRQJTQYXQKR-INIZCTEOSA-N	1	0	369.531	1.975	20	30		FDEDRO
Cc1cc(Cl)c2ncc(C#N)c(N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)c2c1	ZINC000566488992	547778361	/nfs/dbraw/zinc/77/83/61/547778361.db2.gz	HDHSBLSLLWWROE-DOMZBBRYSA-N	1	0	355.829	1.817	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CN2CCc3ccccc3C2=O)c1C#N	ZINC000566542567	547799364	/nfs/dbraw/zinc/79/93/64/547799364.db2.gz	QCTASQGNHFJMSQ-UHFFFAOYSA-N	1	0	366.425	1.070	20	30		FDEDRO
N#Cc1ncn(CC[NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)n1	ZINC000566615992	547827330	/nfs/dbraw/zinc/82/73/30/547827330.db2.gz	IDLCRSPBNWGGJY-GFCCVEGCSA-N	1	0	355.320	1.198	20	30		FDEDRO
N#C[C@H]1CN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CCN1Cc1ccccc1	ZINC000567573003	548165065	/nfs/dbraw/zinc/16/50/65/548165065.db2.gz	NARPZBRMJBDYGP-SLFFLAALSA-N	1	0	367.497	1.794	20	30		FDEDRO
N#CCCC1CC[NH+](CC(=O)NCCOc2ccc3c(c2)OCO3)CC1	ZINC000567789781	548258941	/nfs/dbraw/zinc/25/89/41/548258941.db2.gz	DISHPDAVNXYFPE-UHFFFAOYSA-N	1	0	359.426	1.926	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+]	ZINC000567875494	548304281	/nfs/dbraw/zinc/30/42/81/548304281.db2.gz	FWEYZJYDXMFYLL-LJQANCHMSA-N	1	0	362.433	1.601	20	30		FDEDRO
CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1cnc2c(C#N)cnn2c1	ZINC000567888689	548310447	/nfs/dbraw/zinc/31/04/47/548310447.db2.gz	NWEASTAJSNZPDR-MRXNPFEDSA-N	1	0	369.450	1.943	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)[C@@H]1CCC[NH2+]C1	ZINC000568608986	548604520	/nfs/dbraw/zinc/60/45/20/548604520.db2.gz	QVOWJSPQGQXXBN-GOEBONIOSA-N	1	0	359.449	1.917	20	30		FDEDRO
CC(=O)Nc1ccc(C[NH+]2CCC(Nc3ncncc3C#N)CC2)cc1	ZINC000568756092	548668446	/nfs/dbraw/zinc/66/84/46/548668446.db2.gz	JFAUVYSFKHXKRC-UHFFFAOYSA-N	1	0	350.426	1.805	20	30		FDEDRO
C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	ZINC000568866884	548712053	/nfs/dbraw/zinc/71/20/53/548712053.db2.gz	OEWCNUGTNMWIIT-HOBHPSKFSA-N	1	0	372.469	1.606	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1	ZINC000568980482	548755120	/nfs/dbraw/zinc/75/51/20/548755120.db2.gz	YRXWLDAQBRUDER-MRXNPFEDSA-N	1	0	360.414	1.368	20	30		FDEDRO
Cc1ccc(C(=O)NCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1	ZINC000569231960	548844262	/nfs/dbraw/zinc/84/42/62/548844262.db2.gz	BKLYFKLKUNMFGM-UHFFFAOYSA-N	1	0	372.450	1.055	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C(C)C)[C@@H]3CCOC3)CC2)o1	ZINC000569539478	548953100	/nfs/dbraw/zinc/95/31/00/548953100.db2.gz	ITZFBXGNJYWCAF-OAHLLOKOSA-N	1	0	361.446	1.003	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cscn1	ZINC000569690164	549012518	/nfs/dbraw/zinc/01/25/18/549012518.db2.gz	HBEOUCZTPXHCIQ-UHFFFAOYSA-N	1	0	350.469	1.767	20	30		FDEDRO
C[C@H](COCC(F)(F)F)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000569837339	549066387	/nfs/dbraw/zinc/06/63/87/549066387.db2.gz	NTTZZZQRKDZLJP-LLVKDONJSA-N	1	0	350.362	1.889	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCC(=O)NCC#N)cc1	ZINC000569996312	549123594	/nfs/dbraw/zinc/12/35/94/549123594.db2.gz	MGLJACNUQZGSFG-HNNXBMFYSA-N	1	0	357.458	1.500	20	30		FDEDRO
C[NH+](C)[C@H]1CN(C(=O)c2cccc(COc3ccccc3C#N)c2)C[C@@H]1O	ZINC000570056216	549144323	/nfs/dbraw/zinc/14/43/23/549144323.db2.gz	QFORYRGTUWNWOD-OALUTQOASA-N	1	0	365.433	1.884	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)N[C@H]1CCN(CC)[C@H]1c1cc(F)c(F)c(F)c1	ZINC000570194097	549192025	/nfs/dbraw/zinc/19/20/25/549192025.db2.gz	RUZVYWIFUPTZFW-HOCLYGCPSA-N	1	0	369.387	2.000	20	30		FDEDRO
N#CCc1ccc(CS(=O)(=O)NC[C@H]2CCCC[N@H+]2CCO)cc1	ZINC000570206361	549196051	/nfs/dbraw/zinc/19/60/51/549196051.db2.gz	JCUAQOKRVFJUBL-QGZVFWFLSA-N	1	0	351.472	1.019	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)Nc1cccc(C#N)n1)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000570210464	549198192	/nfs/dbraw/zinc/19/81/92/549198192.db2.gz	CYEQSNXWSGMOJA-KGLIPLIRSA-N	1	0	355.442	1.661	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H](OC)C[C@H]3C[NH3+])cc2C1=O	ZINC000570443695	549280685	/nfs/dbraw/zinc/28/06/85/549280685.db2.gz	QFVMTVMUSXMLMO-KBPBESRZSA-N	1	0	357.410	1.047	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N2CC(N(C)Cc3ccccc3)C2)cc1C#N	ZINC000570500667	549302703	/nfs/dbraw/zinc/30/27/03/549302703.db2.gz	MILVASJNLPGBLY-UHFFFAOYSA-N	1	0	356.451	1.767	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)c2cccc(F)c2)CC1	ZINC000570523436	549310917	/nfs/dbraw/zinc/31/09/17/549310917.db2.gz	DVUPQHDYSNTMDF-UHFFFAOYSA-N	1	0	361.461	1.986	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCCS2(=O)=O)cc1	ZINC000570795417	549413750	/nfs/dbraw/zinc/41/37/50/549413750.db2.gz	ZKDYMEJYEXZHNY-RDJZCZTQSA-N	1	0	352.456	1.049	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1	ZINC000570815804	549423001	/nfs/dbraw/zinc/42/30/01/549423001.db2.gz	BHNOQLKBORODOB-ROUUACIJSA-N	1	0	363.483	1.606	20	30		FDEDRO
C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC2(C#N)CC2)cc1Cl	ZINC000571022989	549495432	/nfs/dbraw/zinc/49/54/32/549495432.db2.gz	ONTFNPRZYZMBMJ-UHFFFAOYSA-N	1	0	364.833	1.639	20	30		FDEDRO
Cn1cc(N2CCC[C@H]([NH2+]C[C@@H](O)COc3ccc(C#N)cc3)C2)cn1	ZINC000571158805	549547025	/nfs/dbraw/zinc/54/70/25/549547025.db2.gz	XLAYDNUCHBSFEC-FUHWJXTLSA-N	1	0	355.442	1.290	20	30		FDEDRO
C[C@H]([NH2+][C@H](CO)[C@H]1CCCOC1)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000571263299	549582707	/nfs/dbraw/zinc/58/27/07/549582707.db2.gz	YEOQZSMEVQMLHL-SLEUVZQESA-N	1	0	363.483	1.813	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CCC([C@H]4CC[NH2+]C4)CC3)cc2C1=O	ZINC000571557494	549689442	/nfs/dbraw/zinc/68/94/42/549689442.db2.gz	RPTGVIQQPGXQSD-INIZCTEOSA-N	1	0	367.449	1.930	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCN3CCCC3=O)CC2)cc1	ZINC000571689053	549735481	/nfs/dbraw/zinc/73/54/81/549735481.db2.gz	NIHRZRZLUFZZON-UHFFFAOYSA-N	1	0	369.469	1.398	20	30		FDEDRO
CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC(=O)NCc3ccc(C#N)cc3)[C@@H]2C1	ZINC000571989428	549817898	/nfs/dbraw/zinc/81/78/98/549817898.db2.gz	WOIRVYFRUGGOJM-IPMKNSEASA-N	1	0	354.454	1.411	20	30		FDEDRO
CC[NH+]1CCC(CCNC(=O)C(=O)NCc2ccc(CC#N)cc2)CC1	ZINC000572035764	549829304	/nfs/dbraw/zinc/82/93/04/549829304.db2.gz	NKDRRGMNXQCSBP-UHFFFAOYSA-N	1	0	356.470	1.607	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000572131615	549849630	/nfs/dbraw/zinc/84/96/30/549849630.db2.gz	IRBUDNUEDNZNJD-IBGZPJMESA-N	1	0	370.497	1.879	20	30		FDEDRO
Cc1cc(NC(=O)CC[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)no1	ZINC000572715043	549977994	/nfs/dbraw/zinc/97/79/94/549977994.db2.gz	LTHIYJXJKGKIEH-INIZCTEOSA-N	1	0	367.409	1.969	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+]	ZINC000572731354	549982194	/nfs/dbraw/zinc/98/21/94/549982194.db2.gz	QKTFJGXISCPESM-GDBMZVCRSA-N	1	0	358.442	1.172	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)Nc1cccc(C#N)n1)[C@H](c1ccccc1)[NH+](C)C	ZINC000572840619	550006339	/nfs/dbraw/zinc/00/63/39/550006339.db2.gz	JXVCLFUDYKGXGA-CXAGYDPISA-N	1	0	351.410	1.699	20	30		FDEDRO
CC(C)[NH+]1CCN(c2cccc(NC[C@@H](O)CN(C)CCC#N)c2)CC1	ZINC000573480346	550147947	/nfs/dbraw/zinc/14/79/47/550147947.db2.gz	LUYSTGJWWGXRFP-HXUWFJFHSA-N	1	0	359.518	1.835	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1	ZINC000573935732	550234754	/nfs/dbraw/zinc/23/47/54/550234754.db2.gz	OAVIUYRVSJBKDA-WMZOPIPTSA-N	1	0	364.515	1.714	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1	ZINC000574053064	550252728	/nfs/dbraw/zinc/25/27/28/550252728.db2.gz	GIPSZZWCCJNTQY-UHFFFAOYSA-N	1	0	373.501	1.312	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3CCC[C@]4(CC[NH2+]C4)C3)n2)c(F)c1	ZINC000574055634	550253315	/nfs/dbraw/zinc/25/33/15/550253315.db2.gz	TYYOMZGXXKGRIR-LJQANCHMSA-N	1	0	368.416	2.490	20	30		FDEDRO
CN(C)C(=O)C1(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CCCC1	ZINC000574151980	550266360	/nfs/dbraw/zinc/26/63/60/550266360.db2.gz	ZCIJKODVUCCGQA-KRWDZBQOSA-N	1	0	359.470	1.731	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1	ZINC000574512690	550326235	/nfs/dbraw/zinc/32/62/35/550326235.db2.gz	SPNQVLMSNXDWTO-MZMPZRCHSA-N	1	0	366.412	1.033	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H]([NH2+]C[C@@H](O)Cc3ccc(F)cc3)C2=O)cc1	ZINC000574870909	550384193	/nfs/dbraw/zinc/38/41/93/550384193.db2.gz	ZSTJFWGRXOVHFH-PMACEKPBSA-N	1	0	367.424	1.991	20	30		FDEDRO
N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@]23CCNC3=O)sc2c1CCC2	ZINC000574999854	550406926	/nfs/dbraw/zinc/40/69/26/550406926.db2.gz	NOQAPBAJFCCEBR-SFHVURJKSA-N	1	0	358.467	1.792	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)ncc1C#N	ZINC000576170677	550519140	/nfs/dbraw/zinc/51/91/40/550519140.db2.gz	RPTKOYNCRQNIFQ-UHFFFAOYSA-N	1	0	369.469	1.925	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]Cc2cccc(N3CCC3=O)c2)cc1	ZINC000576630367	550569790	/nfs/dbraw/zinc/56/97/90/550569790.db2.gz	PARPSEDDUYOCQG-SFHVURJKSA-N	1	0	351.406	1.824	20	30		FDEDRO
N#CC1CCN(C(=O)C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC1	ZINC000576652533	550572347	/nfs/dbraw/zinc/57/23/47/550572347.db2.gz	LXDRKXYUUKIPOV-GOSISDBHSA-N	1	0	354.454	1.702	20	30		FDEDRO
C[NH+](C)CCCOc1cnccc1CNS(=O)(=O)CCC(C)(C)C#N	ZINC000576864739	550594165	/nfs/dbraw/zinc/59/41/65/550594165.db2.gz	AVSFZHCZHSVJSW-UHFFFAOYSA-N	1	0	368.503	1.771	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](c3cccnc3)C2)CC1	ZINC000577059406	550615815	/nfs/dbraw/zinc/61/58/15/550615815.db2.gz	OBAZSBUZZGQRRB-RBUKOAKNSA-N	1	0	355.486	1.563	20	30		FDEDRO
C[C@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000577275333	550639371	/nfs/dbraw/zinc/63/93/71/550639371.db2.gz	UYVNHLMCGVWNKF-OWCLPIDISA-N	1	0	364.515	1.683	20	30		FDEDRO
C[C@@H]1CC2(CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)CC[NH2+]CC2	ZINC000577501826	550663655	/nfs/dbraw/zinc/66/36/55/550663655.db2.gz	ODIHSOGCRMPTOC-GFCCVEGCSA-N	1	0	364.427	1.619	20	30		FDEDRO
C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000577609873	550675181	/nfs/dbraw/zinc/67/51/81/550675181.db2.gz	QMVOGMBOSFYUDG-IUCAKERBSA-N	1	0	353.220	1.501	20	30		FDEDRO
C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000577609871	550675297	/nfs/dbraw/zinc/67/52/97/550675297.db2.gz	QMVOGMBOSFYUDG-BDAKNGLRSA-N	1	0	353.220	1.501	20	30		FDEDRO
CC[C@H]1C[N@H+](C)CCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000577699782	550684604	/nfs/dbraw/zinc/68/46/04/550684604.db2.gz	ISEZSVMVIOCEKG-INIZCTEOSA-N	1	0	352.442	1.708	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1	ZINC000577723468	550687456	/nfs/dbraw/zinc/68/74/56/550687456.db2.gz	YHJMTXBQQCKISY-HIFRSBDPSA-N	1	0	354.857	1.854	20	30		FDEDRO
C=CCN1CCC([NH2+]C[C@H](O)COc2c(OC)cccc2OC)CC1	ZINC000578186394	550736977	/nfs/dbraw/zinc/73/69/77/550736977.db2.gz	KPBGIEPOKAVYOU-INIZCTEOSA-N	1	0	350.459	1.684	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCOC2CCOCC2)cc1	ZINC000579102971	550835646	/nfs/dbraw/zinc/83/56/46/550835646.db2.gz	AWCBXDNZJBJPKB-UHFFFAOYSA-N	1	0	352.456	1.507	20	30		FDEDRO
CC[NH+]1CCC(N2CCCN(C(=O)c3cc(C)c(C#N)cn3)CC2)CC1	ZINC000579700290	550901055	/nfs/dbraw/zinc/90/10/55/550901055.db2.gz	BLLKLPTYWJFODN-UHFFFAOYSA-N	1	0	355.486	1.894	20	30		FDEDRO
C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1cc(Br)ccc1C#N	ZINC000579740011	550905579	/nfs/dbraw/zinc/90/55/79/550905579.db2.gz	JDBFFVBRCMHCMC-JTQLQIEISA-N	1	0	360.277	1.939	20	30		FDEDRO
Cc1cc(=NC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)[nH]n1CCC#N	ZINC000580133949	550946694	/nfs/dbraw/zinc/94/66/94/550946694.db2.gz	IERNFNFXSMLKMB-UHFFFAOYSA-N	1	0	368.441	1.787	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21	ZINC000580184288	550952204	/nfs/dbraw/zinc/95/22/04/550952204.db2.gz	PFAWAOFMBJABQD-MAUKXSAKSA-N	1	0	366.469	1.703	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)Nc3cccc(C#N)n3)cn2)CC1	ZINC000580428824	550981386	/nfs/dbraw/zinc/98/13/86/550981386.db2.gz	AWNAZGBEQYDGFS-UHFFFAOYSA-N	1	0	351.414	1.422	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)cc1	ZINC000580533370	550991795	/nfs/dbraw/zinc/99/17/95/550991795.db2.gz	WMRLVKJOAOWQFW-ROUUACIJSA-N	1	0	357.454	1.775	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)CC1	ZINC000580559512	550995288	/nfs/dbraw/zinc/99/52/88/550995288.db2.gz	KHNNJHKAVNGLLU-FHWLQOOXSA-N	1	0	362.518	1.570	20	30		FDEDRO
CC[C@@H](C(=O)N(CCC#N)CCN1CCOCC1)[N@H+](C)Cc1ccccc1	ZINC000580745366	551013994	/nfs/dbraw/zinc/01/39/94/551013994.db2.gz	LEADRQJXJLUKLZ-FQEVSTJZSA-N	1	0	372.513	1.971	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN(Cc3cnc4c(C#N)cnn4c3)C2)CC1	ZINC000580952295	551036679	/nfs/dbraw/zinc/03/66/79/551036679.db2.gz	VFRBTHBLEFOVGM-GOSISDBHSA-N	1	0	353.474	1.201	20	30		FDEDRO
C[C@@H]1CN(C[C@@H](O)C[N@H+](C)CCOCc2ccc(C#N)cc2)C[C@H](C)O1	ZINC000580975868	551039176	/nfs/dbraw/zinc/03/91/76/551039176.db2.gz	MDRVXSFNLWVELA-QKLQHJQFSA-N	1	0	361.486	1.477	20	30		FDEDRO
CC1CCC(NC(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)CC1	ZINC000581142119	551056770	/nfs/dbraw/zinc/05/67/70/551056770.db2.gz	HTZIGHZNDGYSQB-UHFFFAOYSA-N	1	0	372.469	1.247	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)C1(S(C)(=O)=O)CC1	ZINC000581662959	551118774	/nfs/dbraw/zinc/11/87/74/551118774.db2.gz	ILSMPSQCUZOHSO-HOCLYGCPSA-N	1	0	353.484	1.710	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)C1CCN(CC(F)(F)F)CC1	ZINC000582075825	551173097	/nfs/dbraw/zinc/17/30/97/551173097.db2.gz	QZBWDXHOUTVMLH-RYUDHWBXSA-N	1	0	364.412	1.639	20	30		FDEDRO
Cn1nccc1N1CCC[C@H]([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000582176920	551186588	/nfs/dbraw/zinc/18/65/88/551186588.db2.gz	RURLSQDNSNBGDM-ROUUACIJSA-N	1	0	369.469	1.484	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)ncc1C#N	ZINC000582310108	551205449	/nfs/dbraw/zinc/20/54/49/551205449.db2.gz	ZOIHWQDFHPREIZ-KRWDZBQOSA-N	1	0	365.437	1.489	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNc2ncc3c(c2C#N)CCC3)CC1	ZINC000582356440	551212048	/nfs/dbraw/zinc/21/20/48/551212048.db2.gz	XGNCOCKUMDMKSY-UHFFFAOYSA-N	1	0	369.513	2.481	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1	ZINC000582356158	551212235	/nfs/dbraw/zinc/21/22/35/551212235.db2.gz	YUWMFUVUJPGXEC-MOPGFXCFSA-N	1	0	354.454	1.386	20	30		FDEDRO
C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C#N)n2)C1	ZINC000582485656	551230848	/nfs/dbraw/zinc/23/08/48/551230848.db2.gz	YEZCHFKLSHGGNR-WMLDXEAASA-N	1	0	363.421	1.843	20	30		FDEDRO
Cn1c(=O)c(C#N)c(N(CC[NH+]2CCCCCC2)C2CCC2)n(C)c1=O	ZINC000582639522	551250470	/nfs/dbraw/zinc/25/04/70/551250470.db2.gz	BHEOTZURTFFBDH-UHFFFAOYSA-N	1	0	359.474	1.191	20	30		FDEDRO
CC(C)[NH2+]CCCNS(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000582664283	551253470	/nfs/dbraw/zinc/25/34/70/551253470.db2.gz	DBYUIGMEXBIDQA-UHFFFAOYSA-N	1	0	360.277	1.987	20	30		FDEDRO
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@H](O)[C@@H]([NH+](C)C)C1	ZINC000582853875	551274305	/nfs/dbraw/zinc/27/43/05/551274305.db2.gz	NJDKICMTKQBHAO-BPUTZDHNSA-N	1	0	362.499	1.626	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000583495199	551360882	/nfs/dbraw/zinc/36/08/82/551360882.db2.gz	UOIRXFXWYSZHRI-SQNIBIBYSA-N	1	0	359.470	1.729	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1	ZINC000583835412	551408811	/nfs/dbraw/zinc/40/88/11/551408811.db2.gz	DMPITGYZOCZGNA-CVEARBPZSA-N	1	0	369.531	1.369	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)cn2)[C@H](C)C1	ZINC000583886181	551416474	/nfs/dbraw/zinc/41/64/74/551416474.db2.gz	AELBMDNJPRAELM-ZBFHGGJFSA-N	1	0	373.457	1.145	20	30		FDEDRO
COCC[C@@H](Cc1ccco1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000584465390	551501258	/nfs/dbraw/zinc/50/12/58/551501258.db2.gz	GHJLNXLNNPUSBC-HNNXBMFYSA-N	1	0	363.439	1.557	20	30		FDEDRO
COCCN1C(=O)C2(CC2)NC12CC[NH+](Cc1ccc(C#N)cc1)CC2	ZINC000584767434	551544891	/nfs/dbraw/zinc/54/48/91/551544891.db2.gz	SGXYQAKJBQXCAE-UHFFFAOYSA-N	1	0	354.454	1.461	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H](C)c1cccc(C#N)c1	ZINC000585777643	551598456	/nfs/dbraw/zinc/59/84/56/551598456.db2.gz	MBVYJJKFEYXPIW-BZUAXINKSA-N	1	0	356.470	1.972	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1cccc(C#N)c1	ZINC000587705932	551634130	/nfs/dbraw/zinc/63/41/30/551634130.db2.gz	TUWSRTZGGPDELI-DOTOQJQBSA-N	1	0	354.454	1.680	20	30		FDEDRO
C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCCCC#N	ZINC000588052769	551643462	/nfs/dbraw/zinc/64/34/62/551643462.db2.gz	IGJVPWUAHYRDPB-QGZVFWFLSA-N	1	0	356.470	1.919	20	30		FDEDRO
C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(C#N)c(Cl)c2)[C@@H](C)C1	ZINC000588672854	551674702	/nfs/dbraw/zinc/67/47/02/551674702.db2.gz	LGGWUKHCWQAZND-QWHCGFSZSA-N	1	0	350.850	1.808	20	30		FDEDRO
COc1cc(CNC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccc1C#N	ZINC000589709529	551743838	/nfs/dbraw/zinc/74/38/38/551743838.db2.gz	DOXYSRVYZDYFDZ-SJORKVTESA-N	1	0	358.442	1.307	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)C2)nc1	ZINC000589886847	551749314	/nfs/dbraw/zinc/74/93/14/551749314.db2.gz	KJBDEZDEPFTYLX-DLBZAZTESA-N	1	0	355.442	1.600	20	30		FDEDRO
N#Cc1ncn(CC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)n1	ZINC000589980824	551754788	/nfs/dbraw/zinc/75/47/88/551754788.db2.gz	TVXWWRVEMOQNOI-IRXDYDNUSA-N	1	0	350.426	1.130	20	30		FDEDRO
C[C@H](c1ccccc1)[C@@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)C(N)=O	ZINC000590000495	551755776	/nfs/dbraw/zinc/75/57/76/551755776.db2.gz	KQSUKUDRMMGAFI-MOXGXCLJSA-N	1	0	367.449	1.740	20	30		FDEDRO
C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C1	ZINC000590337427	551774334	/nfs/dbraw/zinc/77/43/34/551774334.db2.gz	GZBUBEMSUIHSGZ-IBGZPJMESA-N	1	0	353.426	1.273	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1	ZINC000590338197	551774894	/nfs/dbraw/zinc/77/48/94/551774894.db2.gz	XCXJGOFAVIEDHJ-AZUAARDMSA-N	1	0	359.470	1.877	20	30		FDEDRO
CN1CC[NH+](CC2CN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)C2)CC1	ZINC000590399175	551780328	/nfs/dbraw/zinc/78/03/28/551780328.db2.gz	GKXIRIZLSYLHPS-UHFFFAOYSA-N	1	0	356.470	1.421	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]2C(=O)NC[C@H]2CCC[N@H+]2CCCO)cc1	ZINC000590767767	551814886	/nfs/dbraw/zinc/81/48/86/551814886.db2.gz	IOOGOWQERIMFPV-MOPGFXCFSA-N	1	0	356.470	1.490	20	30		FDEDRO
CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	ZINC000591297642	551857877	/nfs/dbraw/zinc/85/78/77/551857877.db2.gz	TWICRZFOOYIJPB-INIZCTEOSA-N	1	0	367.409	1.784	20	30		FDEDRO
CC1([NH3+])CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1	ZINC000591302721	551858585	/nfs/dbraw/zinc/85/85/85/551858585.db2.gz	VVWMUNXABPMCPK-UHFFFAOYSA-N	1	0	354.332	1.855	20	30		FDEDRO
CC[C@@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC[C@H]1[NH3+]	ZINC000591304382	551859419	/nfs/dbraw/zinc/85/94/19/551859419.db2.gz	WGXWPWFWDYUMFA-VXGBXAGGSA-N	1	0	366.368	1.684	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1C#N	ZINC000591305164	551859569	/nfs/dbraw/zinc/85/95/69/551859569.db2.gz	WTHJJRIOVOSIOH-XJKSGUPXSA-N	1	0	356.426	1.494	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c(F)c1	ZINC000591350970	551864896	/nfs/dbraw/zinc/86/48/96/551864896.db2.gz	RGFPWYIHXCZYKG-INIZCTEOSA-N	1	0	373.432	1.051	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1	ZINC000591359532	551865951	/nfs/dbraw/zinc/86/59/51/551865951.db2.gz	HZLUZBQCVJVFLD-QGZVFWFLSA-N	1	0	356.474	1.692	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC[NH2+]1	ZINC000591361114	551866244	/nfs/dbraw/zinc/86/62/44/551866244.db2.gz	DBDUZOSXOUMENP-JSGCOSHPSA-N	1	0	358.446	1.396	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1	ZINC000591572852	551880654	/nfs/dbraw/zinc/88/06/54/551880654.db2.gz	OVIACGNFCWVNCX-RBUKOAKNSA-N	1	0	368.481	1.755	20	30		FDEDRO
C[C@H]1CCCN(C(=O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)[C@@H]1C[NH3+]	ZINC000591583314	551881442	/nfs/dbraw/zinc/88/14/42/551881442.db2.gz	LFMIAGDKSGWPDR-JKSUJKDBSA-N	1	0	369.469	1.051	20	30		FDEDRO
N#CC1(CS(=O)(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)CCCCC1	ZINC000591632808	551887812	/nfs/dbraw/zinc/88/78/12/551887812.db2.gz	JDCWKKXUKYKKPV-OAGGEKHMSA-N	1	0	355.504	1.368	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1	ZINC000591728244	551904021	/nfs/dbraw/zinc/90/40/21/551904021.db2.gz	DCCFNWVFHFKWAP-CRAIPNDOSA-N	1	0	350.894	1.962	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+]C2CCN(CC#N)CC2)c(OC)c1	ZINC000591736422	551904921	/nfs/dbraw/zinc/90/49/21/551904921.db2.gz	SASUCMPEZUYGMT-GOSISDBHSA-N	1	0	359.470	1.741	20	30		FDEDRO
CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3ncc4c(c3C#N)CCC4)C[C@@H]2C)CC1	ZINC000591821311	551910151	/nfs/dbraw/zinc/91/01/51/551910151.db2.gz	CCBNNWSOPZFFOT-MGPUTAFESA-N	1	0	367.497	1.821	20	30		FDEDRO
CC[NH+](CC)CCOc1ccc(CNC(=O)N2CC[C@@](O)(CC#N)C2)cc1	ZINC000591911716	551915931	/nfs/dbraw/zinc/91/59/31/551915931.db2.gz	SRLRAQGFKLJQRU-FQEVSTJZSA-N	1	0	374.485	1.967	20	30		FDEDRO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1ncc(Br)cc1C#N	ZINC000591986345	551923790	/nfs/dbraw/zinc/92/37/90/551923790.db2.gz	UUWCHIUKCUQMNV-JTQLQIEISA-N	1	0	352.236	1.272	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C2CCN(c3ccc4nncn4n3)CC2)CC1	ZINC000592068740	551935764	/nfs/dbraw/zinc/93/57/64/551935764.db2.gz	WGQKWWMMXGOITD-UHFFFAOYSA-N	1	0	369.473	1.107	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1	ZINC000592090360	551939307	/nfs/dbraw/zinc/93/93/07/551939307.db2.gz	RDDXOPACXIAKPK-NXHRZFHOSA-N	1	0	364.515	1.648	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN(C(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000592154043	551951027	/nfs/dbraw/zinc/95/10/27/551951027.db2.gz	JEABRUSLYYYOFI-GOSISDBHSA-N	1	0	358.486	1.983	20	30		FDEDRO
CCO[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)[C@@H]1SC	ZINC000592173425	551953811	/nfs/dbraw/zinc/95/38/11/551953811.db2.gz	UABBSQJXEIHUDW-HPFXQQBRSA-N	1	0	368.547	1.177	20	30		FDEDRO
CC(C)[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C1(CO)CC=CC1	ZINC000592178152	551954363	/nfs/dbraw/zinc/95/43/63/551954363.db2.gz	XTJWTJSHMRNGRL-KRWDZBQOSA-N	1	0	363.483	1.670	20	30		FDEDRO
COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1	ZINC000592529527	552005142	/nfs/dbraw/zinc/00/51/42/552005142.db2.gz	LPSYDPMLABVUPS-NVXWUHKLSA-N	1	0	369.425	1.215	20	30		FDEDRO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CSCc1ccc(C#N)cc1	ZINC000592878979	552038310	/nfs/dbraw/zinc/03/83/10/552038310.db2.gz	JLOWPJYLGYASAI-CQSZACIVSA-N	1	0	360.483	1.370	20	30		FDEDRO
COC(=O)[C@@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C[C@H]1C1CC1	ZINC000593127566	552065462	/nfs/dbraw/zinc/06/54/62/552065462.db2.gz	ZWHRRMZNUBXZHF-YTQUADARSA-N	1	0	358.438	1.623	20	30		FDEDRO
CCOC(=O)[C@@H]1NC(=O)N(C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1=O	ZINC000593230823	552075068	/nfs/dbraw/zinc/07/50/68/552075068.db2.gz	FZJZBGSTAXLFOI-MRXNPFEDSA-N	1	0	370.409	1.006	20	30		FDEDRO
COCCOC[C@H](C)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593358621	552095472	/nfs/dbraw/zinc/09/54/72/552095472.db2.gz	KAJMFNJABPHMJP-INIZCTEOSA-N	1	0	374.485	1.873	20	30		FDEDRO
CC[C@H](C#N)C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000593442278	552108778	/nfs/dbraw/zinc/10/87/78/552108778.db2.gz	QWWOMYSSRCBXSF-ZWKOTPCHSA-N	1	0	355.486	1.992	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NCc3cncnc3N)CC2)c1	ZINC000593513559	552119982	/nfs/dbraw/zinc/11/99/82/552119982.db2.gz	KNYJUWCOHYFHLK-UHFFFAOYSA-N	1	0	365.441	1.394	20	30		FDEDRO
C[C@H](O)CN(C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@@H](C)CO	ZINC000593513278	552120044	/nfs/dbraw/zinc/12/00/44/552120044.db2.gz	HSIFUEVDVGKCBP-HOTGVXAUSA-N	1	0	374.485	1.296	20	30		FDEDRO
COC[C@@H]1C[C@@H](O)CN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593515065	552120668	/nfs/dbraw/zinc/12/06/68/552120668.db2.gz	GQIXTHFQVXMMRV-RBUKOAKNSA-N	1	0	372.469	1.314	20	30		FDEDRO
CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc(C#N)cc1C(=O)OC	ZINC000593531613	552124870	/nfs/dbraw/zinc/12/48/70/552124870.db2.gz	QMHMWSDTJGGLND-GFCCVEGCSA-N	1	0	353.444	1.353	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3ccsc3C#N)C2)CC1	ZINC000593545164	552129087	/nfs/dbraw/zinc/12/90/87/552129087.db2.gz	YFFYVQPMQSDKDR-ZDUSSCGKSA-N	1	0	354.501	1.020	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H]1C[NH+](C)C	ZINC000593564986	552136134	/nfs/dbraw/zinc/13/61/34/552136134.db2.gz	FBFGGTZERWMJMU-ZDUSSCGKSA-N	1	0	351.428	1.060	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2ccsc2C#N)C[C@H]1[NH+]1CCCC1	ZINC000593583040	552143305	/nfs/dbraw/zinc/14/33/05/552143305.db2.gz	GFBRHMMLUTVPFU-DGCLKSJQSA-N	1	0	357.526	1.820	20	30		FDEDRO
CCN1C[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1=O	ZINC000593690318	552174533	/nfs/dbraw/zinc/17/45/33/552174533.db2.gz	UKKKORWQFMQIPC-HNNXBMFYSA-N	1	0	352.442	1.817	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)C(=O)Nc3cccnc3)CC2)c1	ZINC000593722236	552182811	/nfs/dbraw/zinc/18/28/11/552182811.db2.gz	ISPULTVMCALOIQ-UHFFFAOYSA-N	1	0	363.421	1.673	20	30		FDEDRO
N#Cc1cccc(CS(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1	ZINC000593731809	552186017	/nfs/dbraw/zinc/18/60/17/552186017.db2.gz	FHKUKQHLXARYIA-KURKYZTESA-N	1	0	363.483	1.749	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCCC2CC[NH2+]CC2)cc1Br	ZINC000593733507	552186261	/nfs/dbraw/zinc/18/62/61/552186261.db2.gz	VTZVJPGVVUBEJP-UHFFFAOYSA-N	1	0	372.288	1.989	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1	ZINC000593738216	552187853	/nfs/dbraw/zinc/18/78/53/552187853.db2.gz	XONHATNIGYDQQP-BBWFWOEESA-N	1	0	363.483	1.774	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NCCC2(C[NH3+])CC2)c1	ZINC000593771282	552195317	/nfs/dbraw/zinc/19/53/17/552195317.db2.gz	REAWYJAUOASRCY-UHFFFAOYSA-N	1	0	352.341	1.343	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1	ZINC000593913217	552224276	/nfs/dbraw/zinc/22/42/76/552224276.db2.gz	SVIDKTKRNCJPET-JZXOWHBKSA-N	1	0	373.453	1.691	20	30		FDEDRO
CS[C@H](C)CNC(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593930580	552228457	/nfs/dbraw/zinc/22/84/57/552228457.db2.gz	TZDLPBASLOLATK-CQSZACIVSA-N	1	0	374.510	1.507	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)CC2)c1C#N	ZINC000594258075	552271970	/nfs/dbraw/zinc/27/19/70/552271970.db2.gz	KMSFDMQVWPWJDO-OKILXGFUSA-N	1	0	362.503	1.495	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000594263346	552273128	/nfs/dbraw/zinc/27/31/28/552273128.db2.gz	XQQHMKVNTVYRRY-KXBFYZLASA-N	1	0	368.481	1.678	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000594285974	552278478	/nfs/dbraw/zinc/27/84/78/552278478.db2.gz	DASAORDTPBMLRQ-INIZCTEOSA-N	1	0	370.497	1.796	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1	ZINC000594427952	552308571	/nfs/dbraw/zinc/30/85/71/552308571.db2.gz	JZCXUUYOFQCAAT-QGZVFWFLSA-N	1	0	360.433	1.958	20	30		FDEDRO
CC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1cccc(S(N)(=O)=O)c1	ZINC000594435153	552309195	/nfs/dbraw/zinc/30/91/95/552309195.db2.gz	BMPMMSCETOUNBP-GJZGRUSLSA-N	1	0	352.460	1.313	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N1CCn2c(Cc3ccccc3)nnc2C1	ZINC000594438156	552309656	/nfs/dbraw/zinc/30/96/56/552309656.db2.gz	HIKSFJYSYNZTOA-INIZCTEOSA-N	1	0	352.442	1.622	20	30		FDEDRO
C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)[C@H]([NH3+])CCCCC#N	ZINC000594435703	552309986	/nfs/dbraw/zinc/30/99/86/552309986.db2.gz	IMOWRSZTQFVYQF-SWLSCSKDSA-N	1	0	352.460	1.265	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N[C@H](C(=O)N=c1cc[nH][nH]1)c1ccccc1	ZINC000594439467	552310219	/nfs/dbraw/zinc/31/02/19/552310219.db2.gz	WCXZBEKRZGFAQL-ZBFHGGJFSA-N	1	0	354.414	1.617	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)NCc1cccc(N2CCCS2(=O)=O)c1	ZINC000594444754	552311733	/nfs/dbraw/zinc/31/17/33/552311733.db2.gz	CJEWNXIDTPDQRM-INIZCTEOSA-N	1	0	364.471	1.254	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccccc1OCC(=O)N1CCOCC1	ZINC000594445921	552312181	/nfs/dbraw/zinc/31/21/81/552312181.db2.gz	NOLRSKICULIDEB-OAHLLOKOSA-N	1	0	374.441	1.274	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12	ZINC000594626852	552345025	/nfs/dbraw/zinc/34/50/25/552345025.db2.gz	TZMVTCLUXYAMCZ-MSOLQXFVSA-N	1	0	354.454	1.650	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1	ZINC000594793072	552386270	/nfs/dbraw/zinc/38/62/70/552386270.db2.gz	UGHPMKWUARQZBA-GFCCVEGCSA-N	1	0	366.443	1.865	20	30		FDEDRO
C[C@H]1CC[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CS1(=O)=O	ZINC000594973963	552429337	/nfs/dbraw/zinc/42/93/37/552429337.db2.gz	IFXFAGPJSDDZJJ-WMLDXEAASA-N	1	0	373.482	1.914	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+][C@@H]3C[C@@H](N4CCOCC4)C34CCC4)n2c1	ZINC000594991048	552433186	/nfs/dbraw/zinc/43/31/86/552433186.db2.gz	YJWSLYQGGJESAD-QZTJIDSGSA-N	1	0	351.454	1.939	20	30		FDEDRO
Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCO[C@H]([C@H](C)[NH3+])C1	ZINC000595108967	552453572	/nfs/dbraw/zinc/45/35/72/552453572.db2.gz	ROWVEHVKYDMKGP-FZMZJTMJSA-N	1	0	365.480	1.818	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1	ZINC000595161189	552472643	/nfs/dbraw/zinc/47/26/43/552472643.db2.gz	FVGVJOJFXQLNJJ-INIZCTEOSA-N	1	0	353.532	1.889	20	30		FDEDRO
C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)C1	ZINC000595162643	552473275	/nfs/dbraw/zinc/47/32/75/552473275.db2.gz	MJGBJLRHGAIJKZ-XLIONFOSSA-N	1	0	354.454	1.481	20	30		FDEDRO
C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)C1	ZINC000595202002	552488935	/nfs/dbraw/zinc/48/89/35/552488935.db2.gz	VTTXDFLFLNZYBR-NQIIRXRSSA-N	1	0	368.481	1.524	20	30		FDEDRO
CC1(C#N)CCN(C(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1	ZINC000595238556	552501943	/nfs/dbraw/zinc/50/19/43/552501943.db2.gz	FOSTWWKCILEIOP-MRXNPFEDSA-N	1	0	356.426	1.438	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CCN(C(=O)N[C@H]4CC[NH2+]C4)CC3)n[nH]2)cc1	ZINC000595266544	552508338	/nfs/dbraw/zinc/50/83/38/552508338.db2.gz	AMCNLJLAQHYVLE-INIZCTEOSA-N	1	0	365.441	1.142	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)CCO1	ZINC000595269575	552509029	/nfs/dbraw/zinc/50/90/29/552509029.db2.gz	DZNFVWQRETWOSV-WWGRRREGSA-N	1	0	350.369	1.344	20	30		FDEDRO
C[NH2+]C[C@H](C)NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595275141	552509903	/nfs/dbraw/zinc/50/99/03/552509903.db2.gz	HQFMCPYSXPYNCW-AWEZNQCLSA-N	1	0	367.457	1.388	20	30		FDEDRO
C[NH2+]C[C@H](C)NC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N	ZINC000595275658	552510398	/nfs/dbraw/zinc/51/03/98/552510398.db2.gz	QJQTXLRMGNUTKF-AWEZNQCLSA-N	1	0	369.473	1.474	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)CCCCC1	ZINC000595278112	552510811	/nfs/dbraw/zinc/51/08/11/552510811.db2.gz	KDMNEFDENORIPM-QGZVFWFLSA-N	1	0	360.502	1.815	20	30		FDEDRO
CC(C)[C@@H]1CN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC[NH2+]1	ZINC000595413484	552554894	/nfs/dbraw/zinc/55/48/94/552554894.db2.gz	SMIZDLTUMITRDE-AWEZNQCLSA-N	1	0	372.288	1.939	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](N3CCC[C@@H]([NH+]4CCOCC4)CC3)C2=O)cc1	ZINC000595470713	552568048	/nfs/dbraw/zinc/56/80/48/552568048.db2.gz	QRKYIRYMCJPXPD-UYAOXDASSA-N	1	0	368.481	1.850	20	30		FDEDRO
COc1cc(CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)ccc1C#N	ZINC000595635148	552595734	/nfs/dbraw/zinc/59/57/34/552595734.db2.gz	KMTPILYDFRDLHW-QGZVFWFLSA-N	1	0	358.442	1.619	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1	ZINC000595723122	552606604	/nfs/dbraw/zinc/60/66/04/552606604.db2.gz	MZJHXOIUVWFEDO-PJIJBLCYSA-N	1	0	363.458	1.227	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)cc1	ZINC000595830071	552621197	/nfs/dbraw/zinc/62/11/97/552621197.db2.gz	TWDPELOUILSOBQ-MSOLQXFVSA-N	1	0	357.454	1.437	20	30		FDEDRO
N#Cc1sccc1N1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CC1	ZINC000595959802	552638571	/nfs/dbraw/zinc/63/85/71/552638571.db2.gz	GJFLWKKRSXFFLI-ZDUSSCGKSA-N	1	0	370.482	1.615	20	30		FDEDRO
Cc1cc2c(cc1C#N)[nH]nc2NC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1	ZINC000595960533	552638825	/nfs/dbraw/zinc/63/88/25/552638825.db2.gz	VJRKWEHDWCISHM-CYBMUJFWSA-N	1	0	364.413	1.901	20	30		FDEDRO
CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595970837	552640116	/nfs/dbraw/zinc/64/01/16/552640116.db2.gz	OKAZSSMENBWASB-LIRRHRJNSA-N	1	0	366.469	1.970	20	30		FDEDRO
C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H](C)Oc2ccccc2C#N)CC1	ZINC000595979895	552640979	/nfs/dbraw/zinc/64/09/79/552640979.db2.gz	GIBQCFDWZPYTLN-OAHLLOKOSA-N	1	0	372.469	1.432	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCN2Cc2ccccc2)nc1	ZINC000596066956	552652036	/nfs/dbraw/zinc/65/20/36/552652036.db2.gz	IDFKEXRJZAPJDX-GOSISDBHSA-N	1	0	370.478	1.591	20	30		FDEDRO
CCc1nc(C#N)cc(N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)n1	ZINC000596166177	552661352	/nfs/dbraw/zinc/66/13/52/552661352.db2.gz	QJRMKJLKKSAYRD-FUHWJXTLSA-N	1	0	351.454	2.206	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c2ncnn21	ZINC000596687941	552701747	/nfs/dbraw/zinc/70/17/47/552701747.db2.gz	GBUAFCHXLDKENC-YOEHRIQHSA-N	1	0	367.457	1.929	20	30		FDEDRO
C[NH+](C)C1(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1	ZINC000596731283	552705520	/nfs/dbraw/zinc/70/55/20/552705520.db2.gz	IDGOLBHQQQUWQH-UHFFFAOYSA-N	1	0	355.398	1.549	20	30		FDEDRO
CCN(C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C)[C@H]1CC[N@H+](CC)C1	ZINC000596841275	552717060	/nfs/dbraw/zinc/71/70/60/552717060.db2.gz	ZHFJOPUXSBAXKL-INIZCTEOSA-N	1	0	367.457	2.395	20	30		FDEDRO
N#Cc1c(F)cc(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1F	ZINC000597078345	552744286	/nfs/dbraw/zinc/74/42/86/552744286.db2.gz	MRICUUWTQWTSBC-NSHDSACASA-N	1	0	350.369	1.154	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1ccc(CNC(=O)CC2(C#N)CCOCC2)cc1	ZINC000597170204	552756932	/nfs/dbraw/zinc/75/69/32/552756932.db2.gz	LZWARTOYCWCBPE-UHFFFAOYSA-N	1	0	372.469	1.305	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)c1cccc(C#N)c1	ZINC000597254868	552765802	/nfs/dbraw/zinc/76/58/02/552765802.db2.gz	NGYIIFKGOCJWGE-QAPCUYQASA-N	1	0	372.469	1.305	20	30		FDEDRO
N#CC1(CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)CCOCC1	ZINC000597410266	552785590	/nfs/dbraw/zinc/78/55/90/552785590.db2.gz	QREQNDWSQKLLGQ-RBUKOAKNSA-N	1	0	371.481	1.696	20	30		FDEDRO
CN1C(=O)CC[C@@H]1CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000597476030	552793665	/nfs/dbraw/zinc/79/36/65/552793665.db2.gz	LZNJHXPNYZBILV-QGZVFWFLSA-N	1	0	354.454	1.672	20	30		FDEDRO
C[NH+]1CC2(C1)CCN(C(=O)COc1cccc(Br)c1C#N)C2	ZINC000597568092	552805671	/nfs/dbraw/zinc/80/56/71/552805671.db2.gz	JMHCVTQLEGAGHJ-UHFFFAOYSA-N	1	0	364.243	1.864	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)NCC34CCC[NH+]3CCC4)CC2)o1	ZINC000597587676	552809392	/nfs/dbraw/zinc/80/93/92/552809392.db2.gz	BEANDESCWDYAPA-UHFFFAOYSA-N	1	0	357.458	1.816	20	30		FDEDRO
Cc1onc(CC(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1C#N	ZINC000597989202	552853071	/nfs/dbraw/zinc/85/30/71/552853071.db2.gz	CUWZJGPGLYJXOT-INIZCTEOSA-N	1	0	354.410	1.280	20	30		FDEDRO
CN(CCC[NH+](C)C)CCNC(=O)c1cnc(C(F)(F)F)c(C#N)c1	ZINC000597993381	552853820	/nfs/dbraw/zinc/85/38/20/552853820.db2.gz	SOPIAXNRWKXMNO-UHFFFAOYSA-N	1	0	357.380	1.585	20	30		FDEDRO
CC[C@H](C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)[NH+](C)C	ZINC000598155769	552869856	/nfs/dbraw/zinc/86/98/56/552869856.db2.gz	DOKMUBFNXYBGEZ-GOSISDBHSA-N	1	0	366.469	1.937	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000598543406	552907715	/nfs/dbraw/zinc/90/77/15/552907715.db2.gz	MNLNTEBJOXUDLV-MRXNPFEDSA-N	1	0	361.442	1.515	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000598547085	552908429	/nfs/dbraw/zinc/90/84/29/552908429.db2.gz	XHTGLGHYZXHKOU-MRXNPFEDSA-N	1	0	374.485	1.778	20	30		FDEDRO
Cn1cc(CN2C[C@@H](F)C[C@H]2C[N@H+](C)C[C@@H](O)CC(C)(C)C#N)cn1	ZINC000598606702	552914683	/nfs/dbraw/zinc/91/46/83/552914683.db2.gz	IUDAGRKFCKXILF-ULQDDVLXSA-N	1	0	351.470	1.565	20	30		FDEDRO
Cc1nc(CN2C[C@@H](F)C[C@H]2C[N@H+](C)C[C@@H](O)CC(C)(C)C#N)no1	ZINC000598609068	552915257	/nfs/dbraw/zinc/91/52/57/552915257.db2.gz	VDCLTXWNKKLVHJ-KKUMJFAQSA-N	1	0	353.442	1.523	20	30		FDEDRO
C[C@@H]1[C@H](C)[N@H+](C[C@@H](O)CC(C)(C)C#N)CCN1C[C@@H](O)CC(C)(C)C#N	ZINC000598628482	552917967	/nfs/dbraw/zinc/91/79/67/552917967.db2.gz	OGIDHGDBWBYWMP-MHORFTMASA-N	1	0	364.534	1.983	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1	ZINC000598715458	552927752	/nfs/dbraw/zinc/92/77/52/552927752.db2.gz	QXTZTGXTUNMLQG-ZDUSSCGKSA-N	1	0	359.879	1.509	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1	ZINC000598715457	552927789	/nfs/dbraw/zinc/92/77/89/552927789.db2.gz	QXTZTGXTUNMLQG-CYBMUJFWSA-N	1	0	359.879	1.509	20	30		FDEDRO
C[NH+](C)C1CC(NC(=O)COc2cccc(Br)c2C#N)C1	ZINC000598718619	552927908	/nfs/dbraw/zinc/92/79/08/552927908.db2.gz	LJUGLELBMKPSHT-UHFFFAOYSA-N	1	0	352.232	1.908	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000598723023	552928264	/nfs/dbraw/zinc/92/82/64/552928264.db2.gz	CRNIJRULHVEHHH-ZDUSSCGKSA-N	1	0	355.416	1.259	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1	ZINC000598732981	552928750	/nfs/dbraw/zinc/92/87/50/552928750.db2.gz	VSFBPPKZOORKRP-XLIONFOSSA-N	1	0	352.438	1.413	20	30		FDEDRO
N#Cc1cccc(NC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1	ZINC000598914146	552944205	/nfs/dbraw/zinc/94/42/05/552944205.db2.gz	ZWOLVWQITVZBNW-SJORKVTESA-N	1	0	368.441	1.310	20	30		FDEDRO
CC1([NH+]2CCOCC2)CCN(C(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000599095903	552966922	/nfs/dbraw/zinc/96/69/22/552966922.db2.gz	XTUJVUBXDLMWFR-UHFFFAOYSA-N	1	0	356.470	1.997	20	30		FDEDRO
C[NH+]1CCN(c2ccc(-c3noc(Cc4ccc(C#N)nc4)n3)nc2)CC1	ZINC000599168439	552978033	/nfs/dbraw/zinc/97/80/33/552978033.db2.gz	DTZYDOICHMUAJJ-UHFFFAOYSA-N	1	0	361.409	1.741	20	30		FDEDRO
CC(C)[C@H](C)NC(=O)C1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1	ZINC000599277287	553012319	/nfs/dbraw/zinc/01/23/19/553012319.db2.gz	KWVVQMATBBHVAA-WMZOPIPTSA-N	1	0	365.518	1.930	20	30		FDEDRO
CCO[C@@H]1C[C@@H](O)C12CC[NH+](C[C@@H](O)CC1(C#N)CCOCC1)CC2	ZINC000599300415	553020089	/nfs/dbraw/zinc/02/00/89/553020089.db2.gz	YAIQNIVLEUNIOL-GVDBMIGSSA-N	1	0	352.475	1.310	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CCCC[C@H]2CN2CCOCC2)CCOCC1	ZINC000599302472	553020669	/nfs/dbraw/zinc/02/06/69/553020669.db2.gz	CYYCIGRRMOEULG-ROUUACIJSA-N	1	0	351.491	1.244	20	30		FDEDRO
Cc1nc(N2CC[NH+](C[C@@H](O)CC3(C#N)CCOCC3)CC2)sc1C	ZINC000599335954	553030581	/nfs/dbraw/zinc/03/05/81/553030581.db2.gz	GSCVBOBVYOVXFR-INIZCTEOSA-N	1	0	364.515	1.953	20	30		FDEDRO
Cc1noc(C)c1CO[C@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000599359979	553036245	/nfs/dbraw/zinc/03/62/45/553036245.db2.gz	IAGFWPFTHYGNCA-IRXDYDNUSA-N	1	0	363.458	1.954	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)CCOCC1	ZINC000599377598	553040331	/nfs/dbraw/zinc/04/03/31/553040331.db2.gz	JHVOHBBTELVKMV-QWHCGFSZSA-N	1	0	363.380	1.058	20	30		FDEDRO
CC[N@@H+](CC(=O)N1CCCCCC1)C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599417705	553052459	/nfs/dbraw/zinc/05/24/59/553052459.db2.gz	OZFUUOZHKPNMHI-KRWDZBQOSA-N	1	0	351.491	1.782	20	30		FDEDRO
CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599428452	553054580	/nfs/dbraw/zinc/05/45/80/553054580.db2.gz	KFQAQTRHTWESNY-CVEARBPZSA-N	1	0	358.504	1.347	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C	ZINC000599441611	553057871	/nfs/dbraw/zinc/05/78/71/553057871.db2.gz	FHUMYFIDYZEPGG-JFIYKMOQSA-N	1	0	364.515	1.823	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@H+](CCN2CCOCC2)CC2CC2)CCOCC1	ZINC000599475409	553068484	/nfs/dbraw/zinc/06/84/84/553068484.db2.gz	OKPZBMRWHZKVDL-SFHVURJKSA-N	1	0	351.491	1.102	20	30		FDEDRO
COC(=O)[C@]1(OC)CC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000599565898	553089068	/nfs/dbraw/zinc/08/90/68/553089068.db2.gz	XQGGDJWMUXYJND-IBGZPJMESA-N	1	0	354.410	1.723	20	30		FDEDRO
COC(=O)[C@@]1(OC)CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000599570687	553091424	/nfs/dbraw/zinc/09/14/24/553091424.db2.gz	VDLBTWXYSIFRQO-QGZVFWFLSA-N	1	0	365.817	1.804	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)CC1(C)COC1	ZINC000599571672	553092319	/nfs/dbraw/zinc/09/23/19/553092319.db2.gz	PVEFODUARWHYIB-GOSISDBHSA-N	1	0	374.460	1.503	20	30		FDEDRO
COc1cc(NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)c(F)cc1C#N	ZINC000599809286	553153814	/nfs/dbraw/zinc/15/38/14/553153814.db2.gz	HWVJRRCVQDHGGU-CYBMUJFWSA-N	1	0	350.394	1.674	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](C4CC4)C3)cc2C1=O	ZINC000599866333	553162793	/nfs/dbraw/zinc/16/27/93/553162793.db2.gz	XIFFSKQWGUAVLL-OAHLLOKOSA-N	1	0	353.422	1.777	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1	ZINC000599900351	553171054	/nfs/dbraw/zinc/17/10/54/553171054.db2.gz	PQFHCANDFZHADQ-KDURUIRLSA-N	1	0	356.426	1.353	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1	ZINC000599904016	553171888	/nfs/dbraw/zinc/17/18/88/553171888.db2.gz	SHYABQCELGRRRB-INIZCTEOSA-N	1	0	374.416	1.253	20	30		FDEDRO
C[C@@H]1CC[C@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C[NH2+]1	ZINC000599938966	553178852	/nfs/dbraw/zinc/17/88/52/553178852.db2.gz	KJNZIOUFASLGAD-OCCSQVGLSA-N	1	0	358.446	1.396	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(F)cc1C#N	ZINC000599971481	553189608	/nfs/dbraw/zinc/18/96/08/553189608.db2.gz	BOUOAUWWCXMWRE-WBMJQRKESA-N	1	0	374.416	1.587	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCCC[N@H+](C)C1	ZINC000600034387	553205614	/nfs/dbraw/zinc/20/56/14/553205614.db2.gz	GWLVMNABRFCDQK-HNNXBMFYSA-N	1	0	358.442	1.744	20	30		FDEDRO
C[C@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@@H]1CCC(=O)N1	ZINC000600081142	553214755	/nfs/dbraw/zinc/21/47/55/553214755.db2.gz	JSIQJGLVXZPEQT-KSSFIOAISA-N	1	0	354.454	1.554	20	30		FDEDRO
CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC1	ZINC000600086876	553216025	/nfs/dbraw/zinc/21/60/25/553216025.db2.gz	GNOQAORAVHGNHW-UHFFFAOYSA-N	1	0	370.453	1.600	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H](CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1	ZINC000600310296	553247389	/nfs/dbraw/zinc/24/73/89/553247389.db2.gz	HSLPJRVOQLTBDF-KRWDZBQOSA-N	1	0	363.483	1.321	20	30		FDEDRO
Cc1ccc(CN2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1C#N	ZINC000600708250	553305096	/nfs/dbraw/zinc/30/50/96/553305096.db2.gz	DTHHDYNYLHXSSK-RBUKOAKNSA-N	1	0	353.470	1.587	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)CC1	ZINC000600717281	553306423	/nfs/dbraw/zinc/30/64/23/553306423.db2.gz	JPXNHBRMCRSTKL-ZDUSSCGKSA-N	1	0	357.863	1.263	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]Cc2ccccc2CN2CCCC2=O)CCOCC1	ZINC000600718741	553306630	/nfs/dbraw/zinc/30/66/30/553306630.db2.gz	SACWZDAAVKCARM-LJQANCHMSA-N	1	0	371.481	1.970	20	30		FDEDRO
CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C[C@H](O)CC2(C#N)CC2)s1	ZINC000600720355	553306761	/nfs/dbraw/zinc/30/67/61/553306761.db2.gz	YQQUACYDPSPYAT-CYBMUJFWSA-N	1	0	371.528	1.923	20	30		FDEDRO
C[C@@H]1CN(C(C)(C)C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)C[C@H](C)O1	ZINC000600718322	553306829	/nfs/dbraw/zinc/30/68/29/553306829.db2.gz	QORULZYXTAMOJD-IXDOHACOSA-N	1	0	353.507	1.535	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]CCNC(=O)c1ccccc1F	ZINC000600722216	553307099	/nfs/dbraw/zinc/30/70/99/553307099.db2.gz	ZMDMQXMVSSJUHA-OAHLLOKOSA-N	1	0	357.385	1.457	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]CCN2CCN(C(=O)C3CCCCC3)CC2)CC1	ZINC000600728130	553308525	/nfs/dbraw/zinc/30/85/25/553308525.db2.gz	RZDICHOPPWDTBV-SFHVURJKSA-N	1	0	362.518	1.355	20	30		FDEDRO
Cn1cc(C[NH2+]C[C@H](O)COc2ccccc2C#N)c(C(F)(F)F)n1	ZINC000600730206	553308566	/nfs/dbraw/zinc/30/85/66/553308566.db2.gz	ZKERXWCBONCFAO-ZDUSSCGKSA-N	1	0	354.332	1.840	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]C2CCN(c3nccs3)CC2)CCOCC1	ZINC000600734606	553308669	/nfs/dbraw/zinc/30/86/69/553308669.db2.gz	HXGYRJIFEBUKAB-HNNXBMFYSA-N	1	0	350.488	1.773	20	30		FDEDRO
COc1ccccc1N1CC[C@H]([NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000600732428	553308781	/nfs/dbraw/zinc/30/87/81/553308781.db2.gz	ZJIRWYKMEYQUCA-DLBZAZTESA-N	1	0	359.470	1.935	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000600736966	553309412	/nfs/dbraw/zinc/30/94/12/553309412.db2.gz	TZYVTDXCCADEIH-CYBMUJFWSA-N	1	0	353.400	1.013	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)CCOCC1	ZINC000600745035	553310275	/nfs/dbraw/zinc/31/02/75/553310275.db2.gz	QKJJRMOBOPKZKF-ZIAGYGMSSA-N	1	0	370.396	1.365	20	30		FDEDRO
COc1ccc([C@@H](CO)C[NH2+]C[C@@H](O)COc2ccccc2C#N)cc1	ZINC000600745543	553310410	/nfs/dbraw/zinc/31/04/10/553310410.db2.gz	ROOTUMJPELMFSP-QZTJIDSGSA-N	1	0	356.422	1.672	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]C[C@H](O)COc2ccccc2Br)CC1	ZINC000600746169	553310427	/nfs/dbraw/zinc/31/04/27/553310427.db2.gz	UMLMYLNOURLXKS-STQMWFEESA-N	1	0	369.259	1.833	20	30		FDEDRO
N#Cc1cccc(OC2CC[NH+](C[C@H](O)CC3(O)CCOCC3)CC2)c1	ZINC000600847242	553321157	/nfs/dbraw/zinc/32/11/57/553321157.db2.gz	YGVYYIMUTZSQDG-QGZVFWFLSA-N	1	0	360.454	1.694	20	30		FDEDRO
COCC[N@H+](C)CCN1C[C@H](Nc2c(C#N)nnc3ccccc32)CC1=O	ZINC000601177976	553356402	/nfs/dbraw/zinc/35/64/02/553356402.db2.gz	GSOYCOXWKMFYKY-CQSZACIVSA-N	1	0	368.441	1.092	20	30		FDEDRO
COCC[N@H+](C)CCN1C[C@@H](Nc2ncc(C#N)cc2Cl)CC1=O	ZINC000601178856	553356645	/nfs/dbraw/zinc/35/66/45/553356645.db2.gz	ZSMFTKFEHCVISR-ZDUSSCGKSA-N	1	0	351.838	1.198	20	30		FDEDRO
CN(C)C1(CS(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)CC1	ZINC000601322004	553375442	/nfs/dbraw/zinc/37/54/42/553375442.db2.gz	WSCLKQCVJWWCSO-UHFFFAOYSA-N	1	0	364.515	1.346	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)S(=O)(=O)CC1(N(C)C)CC1	ZINC000601323025	553375804	/nfs/dbraw/zinc/37/58/04/553375804.db2.gz	BDEUJFCUDTUBAI-UHFFFAOYSA-N	1	0	351.472	1.431	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(S(=O)(=O)c2ccccc2CC#N)CC1	ZINC000601354049	553383575	/nfs/dbraw/zinc/38/35/75/553383575.db2.gz	JLKXTQLLLYWERI-UHFFFAOYSA-N	1	0	351.472	1.220	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2c(C)cc(F)cc2C#N)C[C@H]1[NH+](C)C	ZINC000601380410	553389803	/nfs/dbraw/zinc/38/98/03/553389803.db2.gz	LYXRGTOKCZHOHE-KGLIPLIRSA-N	1	0	357.476	1.672	20	30		FDEDRO
C[NH+](C)CCCS(=O)(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000601414806	553399018	/nfs/dbraw/zinc/39/90/18/553399018.db2.gz	IYBVWVPDKNKTGY-UHFFFAOYSA-N	1	0	369.462	1.822	20	30		FDEDRO
C[NH+](C)CC1CN(S(=O)(=O)c2cc(Br)ccc2C#N)C1	ZINC000601423940	553402059	/nfs/dbraw/zinc/40/20/59/553402059.db2.gz	RLJGKHTTZQCCOZ-UHFFFAOYSA-N	1	0	358.261	1.503	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000601482361	553417279	/nfs/dbraw/zinc/41/72/79/553417279.db2.gz	TWJSFQLQMCQHHJ-RYRKJORJSA-N	1	0	364.515	1.823	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC([NH2+]CCO)CC2)c1	ZINC000601559558	553435531	/nfs/dbraw/zinc/43/55/31/553435531.db2.gz	LVAPNTZMFXKFRU-UHFFFAOYSA-N	1	0	354.357	1.738	20	30		FDEDRO
CON1CCC(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1	ZINC000601660123	553454599	/nfs/dbraw/zinc/45/45/99/553454599.db2.gz	QZBJIERZTSXUKO-UHFFFAOYSA-N	1	0	356.470	1.912	20	30		FDEDRO
Cc1nnc(CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)o1	ZINC000602045550	553507069	/nfs/dbraw/zinc/50/70/69/553507069.db2.gz	CVWGGWIOVXYIFM-UHFFFAOYSA-N	1	0	353.426	1.917	20	30		FDEDRO
C[N@H+](CCc1ccccc1)CC(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000602056075	553509697	/nfs/dbraw/zinc/50/96/97/553509697.db2.gz	YSRWEDPMAZJSLX-UHFFFAOYSA-N	1	0	363.465	1.776	20	30		FDEDRO
CCN1CCOC[C@@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000602303688	553560028	/nfs/dbraw/zinc/56/00/28/553560028.db2.gz	XWBORDLKPSBUSF-GOSISDBHSA-N	1	0	356.470	1.382	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2	ZINC000602522346	553598020	/nfs/dbraw/zinc/59/80/20/553598020.db2.gz	VQONWYIEHZBWMA-CABCVRRESA-N	1	0	362.426	1.844	20	30		FDEDRO
CCC(C#N)(CC)C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1	ZINC000602526429	553598654	/nfs/dbraw/zinc/59/86/54/553598654.db2.gz	DKQJGPQPNXBBBR-OAHLLOKOSA-N	1	0	358.490	1.855	20	30		FDEDRO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1	ZINC000602701690	553624990	/nfs/dbraw/zinc/62/49/90/553624990.db2.gz	WZHRAGBLLJXSEA-GJZGRUSLSA-N	1	0	364.467	1.910	20	30		FDEDRO
COCc1ncc2c(n1)CCN(C[C@@H](O)COc1ccccc1C#N)C2	ZINC000602924366	553670317	/nfs/dbraw/zinc/67/03/17/553670317.db2.gz	HFAAZYMJEUILPG-MRXNPFEDSA-N	1	0	354.410	1.293	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH+]2CCN(Cc3ccc(O)cc3)CC2)CCOCC1	ZINC000603007140	553692795	/nfs/dbraw/zinc/69/27/95/553692795.db2.gz	ZRTDYXWBPVZXPX-LJQANCHMSA-N	1	0	359.470	1.581	20	30		FDEDRO
COc1ccc(CNC(=O)CC[NH+]2CCN(CCC#N)CC2)c(OC)c1	ZINC000603016852	553694940	/nfs/dbraw/zinc/69/49/40/553694940.db2.gz	LANXETJSYSRWMI-UHFFFAOYSA-N	1	0	360.458	1.241	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C[C@H](C)N1CC#N	ZINC000603102249	553708889	/nfs/dbraw/zinc/70/88/89/553708889.db2.gz	ZAEHBHFUMONZLG-ZIFCJYIRSA-N	1	0	355.486	1.738	20	30		FDEDRO
C[C@H]([NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F)C(=O)N(C)CCC#N	ZINC000603146856	553716072	/nfs/dbraw/zinc/71/60/72/553716072.db2.gz	URVXRMPHWIMSCK-QEJZJMRPSA-N	1	0	357.376	1.871	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)Cn2cc(C[NH2+]C3CCCC3)nn2)CC1	ZINC000603190127	553727369	/nfs/dbraw/zinc/72/73/69/553727369.db2.gz	KJGSZEFLUOYACG-GOSISDBHSA-N	1	0	373.505	1.003	20	30		FDEDRO
N#CCCc1cn(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)nn1	ZINC000603216775	553734761	/nfs/dbraw/zinc/73/47/61/553734761.db2.gz	HMZIXRNPCKVNAP-UHFFFAOYSA-N	1	0	352.442	1.646	20	30		FDEDRO
CC[NH2+]Cc1ccn(Cc2cn(Cc3cc(C#N)ccc3OC)nn2)n1	ZINC000603235292	553738741	/nfs/dbraw/zinc/73/87/41/553738741.db2.gz	NIAWXDGUHUNBPJ-UHFFFAOYSA-N	1	0	351.414	1.561	20	30		FDEDRO
N#CCC(=O)NCc1cn(Cc2ccc(C[NH+]3CCCCC3)cc2)nn1	ZINC000603253847	553743985	/nfs/dbraw/zinc/74/39/85/553743985.db2.gz	FBSKEKABMYFWDE-UHFFFAOYSA-N	1	0	352.442	1.842	20	30		FDEDRO
N#Cc1ccc(N2CCC(C[NH+]3CCCC3)CC2)c(CS(N)(=O)=O)c1	ZINC000603277903	553751622	/nfs/dbraw/zinc/75/16/22/553751622.db2.gz	WKNBUOCUXJZEME-UHFFFAOYSA-N	1	0	362.499	1.659	20	30		FDEDRO
COCCOCc1cc(C#N)ccc1N1CCN([C@H]2CCC[N@H+](C)C2)CC1	ZINC000603297987	553758311	/nfs/dbraw/zinc/75/83/11/553758311.db2.gz	KVCUZEMDQRMXKA-FQEVSTJZSA-N	1	0	372.513	1.937	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000603320459	553764016	/nfs/dbraw/zinc/76/40/16/553764016.db2.gz	VLRMHKGKOCYXRK-SFHVURJKSA-N	1	0	364.453	1.662	20	30		FDEDRO
N#Cc1cc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)ncc1Br	ZINC000603413453	553782372	/nfs/dbraw/zinc/78/23/72/553782372.db2.gz	XGCCPGYNQCXHFW-ZDUSSCGKSA-N	1	0	351.248	1.751	20	30		FDEDRO
Cc1cc(C#N)ccc1C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000603413392	553782418	/nfs/dbraw/zinc/78/24/18/553782418.db2.gz	WROVIGZWNONPDC-SFHVURJKSA-N	1	0	356.470	1.393	20	30		FDEDRO
N#CC[C@H]1CCCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1	ZINC000603436579	553788237	/nfs/dbraw/zinc/78/82/37/553788237.db2.gz	NCVYXTBXVNVNLA-QZTJIDSGSA-N	1	0	363.506	1.118	20	30		FDEDRO
CN(C(=O)CN1CCC[N@H+](C[C@@H]2CCCO2)CC1)C1(C#N)CCCCC1	ZINC000603847982	553820485	/nfs/dbraw/zinc/82/04/85/553820485.db2.gz	ILSWJGNEUQBJSP-SFHVURJKSA-N	1	0	362.518	1.858	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1	ZINC000603848380	553821077	/nfs/dbraw/zinc/82/10/77/553821077.db2.gz	PGJDQCKAHKJVIK-ICSRJNTNSA-N	1	0	359.470	1.485	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]CCc1ccc2c(c1)OCCO2	ZINC000603918149	553829945	/nfs/dbraw/zinc/82/99/45/553829945.db2.gz	KOJGPWTUABWFCB-QGZVFWFLSA-N	1	0	354.406	1.901	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)cc1	ZINC000606044520	554038199	/nfs/dbraw/zinc/03/81/99/554038199.db2.gz	XEFYVGIUHSIMHN-HNNXBMFYSA-N	1	0	359.430	1.143	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1	ZINC000608426197	554268412	/nfs/dbraw/zinc/26/84/12/554268412.db2.gz	VZULAHWWEOEZGD-RHSMWYFYSA-N	1	0	374.489	1.254	20	30		FDEDRO
C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)cn1	ZINC000608878898	554326825	/nfs/dbraw/zinc/32/68/25/554326825.db2.gz	KRLIKRZPLYULHI-UHFFFAOYSA-N	1	0	360.805	1.547	20	30		FDEDRO
N#Cc1ccc(OC2CC[NH+](C[C@H](O)COC[C@H]3CCCO3)CC2)cc1	ZINC000609147517	554343360	/nfs/dbraw/zinc/34/33/60/554343360.db2.gz	ZSARTLKLHAPTBV-FXAWDEMLSA-N	1	0	360.454	1.958	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1	ZINC000609311429	554363430	/nfs/dbraw/zinc/36/34/30/554363430.db2.gz	ALMLUPWGDFULEY-VQIMIIECSA-N	1	0	355.486	1.279	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1CNC(=O)NC1CCN(CC#N)CC1	ZINC000609341596	554369590	/nfs/dbraw/zinc/36/95/90/554369590.db2.gz	RQKHCXBQTZUKLC-UHFFFAOYSA-N	1	0	359.474	1.414	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)cc1	ZINC000609552777	554392459	/nfs/dbraw/zinc/39/24/59/554392459.db2.gz	CNMSYLUCNJYUMW-QZTJIDSGSA-N	1	0	357.454	1.632	20	30		FDEDRO
C[C@@H]([NH2+]C[C@H]1CCCN1c1cccnn1)C(=O)Nc1ccccc1C#N	ZINC000609574740	554395819	/nfs/dbraw/zinc/39/58/19/554395819.db2.gz	HYCASFRHSMECDS-GDBMZVCRSA-N	1	0	350.426	1.934	20	30		FDEDRO
C[C@H](CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)C[NH+]1CCN(C)CC1	ZINC000609623890	554404176	/nfs/dbraw/zinc/40/41/76/554404176.db2.gz	FSLKZICNJAGYOS-XLIONFOSSA-N	1	0	369.513	1.527	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[N@H+](C[C@H]2CCCO2)CC1	ZINC000610002544	554448179	/nfs/dbraw/zinc/44/81/79/554448179.db2.gz	QURVPVQRDYSTOV-ZWKOTPCHSA-N	1	0	362.518	1.904	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(O[C@@H]3CCOC3)CC2)cc1	ZINC000610497433	554519081	/nfs/dbraw/zinc/51/90/81/554519081.db2.gz	SJKFTLJEJUACRV-FXAWDEMLSA-N	1	0	360.454	1.762	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(O[C@@H]3CCOC3)CC2)cc1	ZINC000610497436	554519117	/nfs/dbraw/zinc/51/91/17/554519117.db2.gz	SJKFTLJEJUACRV-YLJYHZDGSA-N	1	0	360.454	1.762	20	30		FDEDRO
N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1	ZINC000611394869	554630581	/nfs/dbraw/zinc/63/05/81/554630581.db2.gz	OHKQBZMEYQDNKE-ICSRJNTNSA-N	1	0	368.481	1.458	20	30		FDEDRO
C[NH+](C)CCNS(=O)(=O)c1ccc(NCC(C)(C)C#N)c([N+](=O)[O-])c1	ZINC000611617837	554655961	/nfs/dbraw/zinc/65/59/61/554655961.db2.gz	FSENWIKFVBIZKO-UHFFFAOYSA-N	1	0	369.447	1.396	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1	ZINC000611875706	554694566	/nfs/dbraw/zinc/69/45/66/554694566.db2.gz	UPEGWHMLRKMJEY-MSOLQXFVSA-N	1	0	363.502	1.322	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000612581275	554809822	/nfs/dbraw/zinc/80/98/22/554809822.db2.gz	RAYZSFQOMRYDRB-RCCFBDPRSA-N	1	0	351.491	1.341	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000612591210	554811221	/nfs/dbraw/zinc/81/12/21/554811221.db2.gz	HYIUAOAKTBZTBA-NXHRZFHOSA-N	1	0	363.502	1.607	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)n1	ZINC000612840378	554848679	/nfs/dbraw/zinc/84/86/79/554848679.db2.gz	SWGHMQRIKFZFCR-WBVHZDCISA-N	1	0	354.458	1.412	20	30		FDEDRO
COC(=O)c1cccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1C	ZINC000615154121	555167877	/nfs/dbraw/zinc/16/78/77/555167877.db2.gz	BXJBCQNYOMEBMO-UHFFFAOYSA-N	1	0	374.441	1.414	20	30		FDEDRO
COc1ccc([C@H](CNC(=O)N2CC[C@](F)(C#N)C2)[NH+](C)C)cc1OC	ZINC000615578124	555215967	/nfs/dbraw/zinc/21/59/67/555215967.db2.gz	VYMJYFQQDGAHCE-KSSFIOAISA-N	1	0	364.421	1.954	20	30		FDEDRO
Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CC[C@](F)(C#N)C2)CC1	ZINC000615637230	555223862	/nfs/dbraw/zinc/22/38/62/555223862.db2.gz	GGRWXWDPECLYOT-FQEVSTJZSA-N	1	0	358.461	1.967	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000617023116	555375840	/nfs/dbraw/zinc/37/58/40/555375840.db2.gz	IEEJHZUPOSAJTI-IAGOWNOFSA-N	1	0	355.442	1.053	20	30		FDEDRO
C[NH+](C)CCN1CCC(NC(=O)N[C@H]2CCc3cc(C#N)ccc32)CC1	ZINC000618798011	555678535	/nfs/dbraw/zinc/67/85/35/555678535.db2.gz	JQJQRVWWEJSGSY-IBGZPJMESA-N	1	0	355.486	1.871	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000618841529	555687744	/nfs/dbraw/zinc/68/77/44/555687744.db2.gz	XZMDWRIWRQQHTF-LPHOPBHVSA-N	1	0	354.454	1.909	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1	ZINC000619064272	555719596	/nfs/dbraw/zinc/71/95/96/555719596.db2.gz	FVSHKFRZEKEKSG-OAHLLOKOSA-N	1	0	357.458	1.654	20	30		FDEDRO
Cn1cnnc1[C@H]1CN(C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1	ZINC000619098720	555725286	/nfs/dbraw/zinc/72/52/86/555725286.db2.gz	XAJOYKOKLVFIMX-LJQANCHMSA-N	1	0	366.469	1.725	20	30		FDEDRO
C[NH+](C)C1CCN(CCNS(=O)(=O)c2cccc(CC#N)c2)CC1	ZINC000619489298	555787038	/nfs/dbraw/zinc/78/70/38/555787038.db2.gz	RWPONFYNFPUGKZ-UHFFFAOYSA-N	1	0	350.488	1.057	20	30		FDEDRO
C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1cccc(CC#N)c1	ZINC000619497439	555789682	/nfs/dbraw/zinc/78/96/82/555789682.db2.gz	WQLIAABHYJFEJY-OAHLLOKOSA-N	1	0	350.488	1.057	20	30		FDEDRO
CN1CCN(C(=O)CC[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1	ZINC000619781313	555833191	/nfs/dbraw/zinc/83/31/91/555833191.db2.gz	SPBRJVMSWCEFJY-IBGZPJMESA-N	1	0	373.476	1.172	20	30		FDEDRO
CCN1CC[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1=O	ZINC000619803471	555836947	/nfs/dbraw/zinc/83/69/47/555836947.db2.gz	IGCCSMNQHQJZSP-GOSISDBHSA-N	1	0	369.469	1.396	20	30		FDEDRO
C=CCOc1cc(OC)ccc1C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC000620479215	555937029	/nfs/dbraw/zinc/93/70/29/555937029.db2.gz	PPZSKQKHIPDILV-MRXNPFEDSA-N	1	0	360.454	1.931	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1OC	ZINC000620489727	555943149	/nfs/dbraw/zinc/94/31/49/555943149.db2.gz	CZXONVIDCYARCD-KRWDZBQOSA-N	1	0	360.454	1.931	20	30		FDEDRO
CC(C)(O)C[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)C1CCOCC1	ZINC000625217106	556745702	/nfs/dbraw/zinc/74/57/02/556745702.db2.gz	PALPFPBKWXRSAP-UHFFFAOYSA-N	1	0	370.449	1.538	20	30		FDEDRO
C[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)C(C)(C)CN1CCOCC1	ZINC000625470697	556817192	/nfs/dbraw/zinc/81/71/92/556817192.db2.gz	GUJKYDDRXYVFIH-UHFFFAOYSA-N	1	0	369.465	1.329	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCC1([NH3+])CCOCC1	ZINC000627453367	557407798	/nfs/dbraw/zinc/40/77/98/557407798.db2.gz	LHGNNNIHJQTBMH-UHFFFAOYSA-N	1	0	371.890	1.540	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c1	ZINC000628739567	557678668	/nfs/dbraw/zinc/67/86/68/557678668.db2.gz	MAFJFIDUEMRKEF-HNNXBMFYSA-N	1	0	365.499	1.613	20	30		FDEDRO
C=CCn1c(COCCOC)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1	ZINC000634339752	558452419	/nfs/dbraw/zinc/45/24/19/558452419.db2.gz	PXYOUENTBDKDQU-QGZVFWFLSA-N	1	0	363.506	1.939	20	30		FDEDRO
CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000291041845	567986482	/nfs/dbraw/zinc/98/64/82/567986482.db2.gz	YIGLLGONDPNGOE-INIZCTEOSA-N	1	0	358.490	1.905	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000669118112	568047102	/nfs/dbraw/zinc/04/71/02/568047102.db2.gz	JXHRLHOETYGTHF-WMZOPIPTSA-N	1	0	359.470	1.332	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N1CCC(CC)([NH+]2CCCC2)CC1	ZINC000636827592	568119836	/nfs/dbraw/zinc/11/98/36/568119836.db2.gz	VWKOWEWTRLPHPP-UHFFFAOYSA-N	1	0	351.491	1.562	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)nc1	ZINC000737718860	598467091	/nfs/dbraw/zinc/46/70/91/598467091.db2.gz	POPRYGFTHWBRJB-UHFFFAOYSA-N	1	0	360.425	1.892	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)CC1	ZINC000819722999	599434821	/nfs/dbraw/zinc/43/48/21/599434821.db2.gz	UAKOAZZEGQSFDO-UHFFFAOYSA-N	1	0	373.436	1.846	20	30		FDEDRO
COc1ccc(C[NH2+]CCOc2ccc(C#N)cc2)cc1-c1nn[nH]n1	ZINC000821813781	599450906	/nfs/dbraw/zinc/45/09/06/599450906.db2.gz	MKNONBNDRJWYAF-UHFFFAOYSA-N	1	0	350.382	1.916	20	30		FDEDRO
C[NH+](C)CCNC(=O)C1CC[NH+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1	ZINC000737367363	600567221	/nfs/dbraw/zinc/56/72/21/600567221.db2.gz	JJFMMGRVAMVVIY-QGZVFWFLSA-N	1	0	358.442	1.074	20	30		FDEDRO
COc1ccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1C#N	ZINC000826202836	607567753	/nfs/dbraw/zinc/56/77/53/607567753.db2.gz	PDTJGVWBWLWDSP-UHFFFAOYSA-N	1	0	360.381	1.684	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH2+][C@H](CO)c1ccc(Br)cc1	ZINC000273082451	674504386	/nfs/dbraw/zinc/50/43/86/674504386.db2.gz	HWBKYWIOPYZNPH-CQSZACIVSA-N	1	0	354.248	1.834	20	30		FDEDRO
C=CCC[C@@H](O)C[NH+]1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1	ZINC000273452611	674538919	/nfs/dbraw/zinc/53/89/19/674538919.db2.gz	YHPJDXLGRGOBGS-SJORKVTESA-N	1	0	351.878	1.811	20	30		FDEDRO
C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H](O)COC1CCOCC1	ZINC000819745432	606704901	/nfs/dbraw/zinc/70/49/01/606704901.db2.gz	CNSXAPKOVARNQA-KRWDZBQOSA-N	1	0	373.457	1.411	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1cccc(C#N)c1	ZINC000824565136	608486949	/nfs/dbraw/zinc/48/69/49/608486949.db2.gz	ZVKPNAUAHQCDBE-ZDUSSCGKSA-N	1	0	361.409	1.705	20	30		FDEDRO
N#CC1(CS(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CC1	ZINC000274241089	674588366	/nfs/dbraw/zinc/58/83/66/674588366.db2.gz	UBXBCXDQCPRWTI-DLBZAZTESA-N	1	0	363.483	1.093	20	30		FDEDRO
N#Cc1ncccc1S(=O)(=O)NCC1CCN(c2cc[nH+]cc2)CC1	ZINC000276935650	674813231	/nfs/dbraw/zinc/81/32/31/674813231.db2.gz	AHBVPSLNMUGRBD-UHFFFAOYSA-N	1	0	357.439	1.543	20	30		FDEDRO
N#Cc1ncccc1S(=O)(=O)NCCC[N@@H+]1CCc2ccccc2C1	ZINC000277106755	674859042	/nfs/dbraw/zinc/85/90/42/674859042.db2.gz	XOKYLKCMPIRUNU-UHFFFAOYSA-N	1	0	356.451	1.680	20	30		FDEDRO
C#CCOc1ccc(Br)cc1C[NH2+]CCN1CCOCC1	ZINC000041635100	670900336	/nfs/dbraw/zinc/90/03/36/670900336.db2.gz	IWQJHRRZBPEWMA-UHFFFAOYSA-N	1	0	353.260	1.883	20	30		FDEDRO
C=C(Br)CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1	ZINC000069245473	671379819	/nfs/dbraw/zinc/37/98/19/671379819.db2.gz	FCVOUKAPGHOLOA-UHFFFAOYSA-N	1	0	368.279	1.541	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@H]1C	ZINC000287066847	675912246	/nfs/dbraw/zinc/91/22/46/675912246.db2.gz	PPVSEBNTBKAHNC-SJORKVTESA-N	1	0	351.491	1.440	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@@H](c1cccs1)N1CCCC1	ZINC000103911808	671593284	/nfs/dbraw/zinc/59/32/84/671593284.db2.gz	DOIHJMOFEMCNSS-INIZCTEOSA-N	1	0	365.547	1.382	20	30		FDEDRO
CCN(CC)[C@@H](CNC(NCCN1CCOCC1)=[NH+]C)c1ccsc1	ZINC000104166790	671594717	/nfs/dbraw/zinc/59/47/17/671594717.db2.gz	AXZPZRSERVGCTR-KRWDZBQOSA-N	1	0	367.563	1.628	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccc(CNC(=[NH2+])N3CCSCC3)cc2)CC1	ZINC000104166044	671594817	/nfs/dbraw/zinc/59/48/17/671594817.db2.gz	YQIWRLPMQHSRDQ-UHFFFAOYSA-N	1	0	361.559	1.688	20	30		FDEDRO
NC(C[NH+]1CCCCCC1)=NOCC(=O)NCCc1ccc(F)cc1	ZINC000106437609	671607139	/nfs/dbraw/zinc/60/71/39/671607139.db2.gz	KYFFKASIDOSGTP-UHFFFAOYSA-N	1	0	350.438	1.649	20	30		FDEDRO
C[C@H]([NH2+]CCC(=O)N(C)CCC#N)c1cccc(NS(C)(=O)=O)c1	ZINC000119051507	671669750	/nfs/dbraw/zinc/66/97/50/671669750.db2.gz	ZPVWRYXEIBFXBP-ZDUSSCGKSA-N	1	0	352.460	1.471	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)cc1	ZINC000120048543	671683022	/nfs/dbraw/zinc/68/30/22/671683022.db2.gz	QDFQJIMMNQEHPO-MRXNPFEDSA-N	1	0	350.488	1.408	20	30		FDEDRO
CC[C@@H]1CN(C(NCCS(=O)(=O)c2ccccc2)=[NH+]C)CCS1	ZINC000124213756	671734706	/nfs/dbraw/zinc/73/47/06/671734706.db2.gz	NPYWJVYDNZYQBV-CQSZACIVSA-N	1	0	355.529	1.863	20	30		FDEDRO
COCC[N@H+]1[C@H](C)CN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C[C@@H]1C	ZINC000130003788	671790163	/nfs/dbraw/zinc/79/01/63/671790163.db2.gz	WFVYTIVVFIAKHA-BBWFWOEESA-N	1	0	350.507	1.759	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCC3(O)CCCCC3)=[NH+]C[C@@H]2C1	ZINC000133908272	671824345	/nfs/dbraw/zinc/82/43/45/671824345.db2.gz	WMKZIISYQIXYLO-CQSZACIVSA-N	1	0	352.479	1.562	20	30		FDEDRO
CC(C)(O)C[NH+]1CCN(C(=O)Nc2ccc(F)cc2OCC#N)CC1	ZINC000135303332	671835699	/nfs/dbraw/zinc/83/56/99/671835699.db2.gz	NCUBIWMJALKRCU-UHFFFAOYSA-N	1	0	350.394	1.648	20	30		FDEDRO
Cc1cc(S(=O)(=O)NCCNC(=[NH2+])N2CCC(C)CC2)c(C)s1	ZINC000151401279	671864295	/nfs/dbraw/zinc/86/42/95/671864295.db2.gz	QDVRERFPQNWLGK-UHFFFAOYSA-N	1	0	358.533	1.690	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCCS1)NC[C@@]1(N2CCOCC2)CCSC1	ZINC000157387775	671968278	/nfs/dbraw/zinc/96/82/78/671968278.db2.gz	YZCWOQSTHDMFOT-HOCLYGCPSA-N	1	0	358.577	1.255	20	30		FDEDRO
CC(C)CCC[C@@H](C)NC(=[NH2+])NCCNS(=O)(=O)c1cccnc1	ZINC000157378893	671968310	/nfs/dbraw/zinc/96/83/10/671968310.db2.gz	JMKDVUBHJCEMHF-CQSZACIVSA-N	1	0	355.508	1.479	20	30		FDEDRO
[NH2+]=C(NCCNS(=O)(=O)c1cccnc1)Nc1ccc2c(c1)CCC2	ZINC000157384047	671968371	/nfs/dbraw/zinc/96/83/71/671968371.db2.gz	KZNGOKXMCFYUPC-UHFFFAOYSA-N	1	0	359.455	1.275	20	30		FDEDRO
[NH2+]=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)NC[C@H]1CCCO1	ZINC000161477456	672009593	/nfs/dbraw/zinc/00/95/93/672009593.db2.gz	LTXOKAUSAIHJLR-IAGOWNOFSA-N	1	0	350.438	1.282	20	30		FDEDRO
C[C@@H]1CCCC[C@@H]1[NH+]=C(NCC(=O)N(C)C)N1CC[C@]2(CCOC2)C1	ZINC000185536087	672260849	/nfs/dbraw/zinc/26/08/49/672260849.db2.gz	UNBBNNLTPCWSCV-GJYPPUQNSA-N	1	0	350.507	1.711	20	30		FDEDRO
C[NH+]=C(NCCS(C)(=O)=O)N1CCC[C@]2(CCCc3ccccc32)C1	ZINC000261638420	672641269	/nfs/dbraw/zinc/64/12/69/672641269.db2.gz	DBMRADTXYOYWEO-LJQANCHMSA-N	1	0	363.527	1.977	20	30		FDEDRO
C[NH+]=C(NCc1noc(C)n1)N[C@H]1CCN(c2c(F)cccc2F)C1	ZINC000261667735	672646695	/nfs/dbraw/zinc/64/66/95/672646695.db2.gz	BRSBYSURZJLHEI-NSHDSACASA-N	1	0	350.373	1.600	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCCN1S(C)(=O)=O)N1CCS[C@@H](C(C)C)C1	ZINC000261756369	672665982	/nfs/dbraw/zinc/66/59/82/672665982.db2.gz	MMKIVGIRCUMRCZ-ZIAGYGMSSA-N	1	0	362.565	1.059	20	30		FDEDRO
CC[NH+]=C(NCCC(C)(C)C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1	ZINC000261773387	672669855	/nfs/dbraw/zinc/66/98/55/672669855.db2.gz	OGORTUOHBTUFIR-GOSISDBHSA-N	1	0	351.495	1.698	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1COCCO1)N1CCC(OC[C@@H]2CCCCO2)CC1	ZINC000261783024	672671629	/nfs/dbraw/zinc/67/16/29/672671629.db2.gz	QFGMHQQPFKDNFS-DLBZAZTESA-N	1	0	355.479	1.027	20	30		FDEDRO
C[NH+]=C(NC[C@H](O)c1cc2ccccc2s1)NC[C@]1(O)CCSC1	ZINC000261810898	672675962	/nfs/dbraw/zinc/67/59/62/672675962.db2.gz	SMAWFULFSVUIEH-SUMWQHHRSA-N	1	0	365.524	1.968	20	30		FDEDRO
CCC(=O)N1CC[C@@H](NC(NCc2nc(C(F)(F)F)cs2)=[NH+]C)C1	ZINC000261959646	672702467	/nfs/dbraw/zinc/70/24/67/672702467.db2.gz	JRWWEFYGEOFCQE-SECBINFHSA-N	1	0	363.409	1.838	20	30		FDEDRO
CC[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261962057	672702837	/nfs/dbraw/zinc/70/28/37/672702837.db2.gz	KJWPXMSXJDWLTJ-YOEHRIQHSA-N	1	0	359.536	1.402	20	30		FDEDRO
[NH2+]=C(NCCc1ccc(Cl)s1)N1CCN(c2ncccn2)CC1	ZINC000261982167	672706632	/nfs/dbraw/zinc/70/66/32/672706632.db2.gz	IKWIZRMKRZYGJL-UHFFFAOYSA-N	1	0	350.879	1.871	20	30		FDEDRO
C[NH+]=C(NCC[S@](=O)C(C)(C)C)N1CC[C@H](C)[C@H](n2ccnc2)C1	ZINC000261987189	672707508	/nfs/dbraw/zinc/70/75/08/672707508.db2.gz	QKJTWTBOYXKRCS-OWWKKJFISA-N	1	0	353.536	1.889	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261989950	672707519	/nfs/dbraw/zinc/70/75/19/672707519.db2.gz	RALOGQDQBQJQQB-MJBXVCDLSA-N	1	0	357.520	1.274	20	30		FDEDRO
CC[C@@H]1CN(C(NC[C@@]2(N3CCOCC3)CCSC2)=[NH+]C)CCS1	ZINC000261991353	672707546	/nfs/dbraw/zinc/70/75/46/672707546.db2.gz	SKOGMWPYQSSILE-WBVHZDCISA-N	1	0	372.604	1.597	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(OC)nc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000262004165	672710135	/nfs/dbraw/zinc/71/01/35/672710135.db2.gz	VEZZGOCJZKDTMK-UHFFFAOYSA-N	1	0	354.476	1.065	20	30		FDEDRO
CC[NH+]=C(NCc1cccc2c1OCO2)N1CCS(=O)(=O)C(C)(C)C1	ZINC000262026510	672714551	/nfs/dbraw/zinc/71/45/51/672714551.db2.gz	ZUPFXDIHPKBSMS-UHFFFAOYSA-N	1	0	367.471	1.390	20	30		FDEDRO
C=CCOc1ccc(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1	ZINC000262096475	672724820	/nfs/dbraw/zinc/72/48/20/672724820.db2.gz	UUYKLXABIYATSL-OAHLLOKOSA-N	1	0	357.376	1.817	20	30		FDEDRO
C[NH+]=C(NCc1nncn1C)N(C)Cc1ccccc1Br	ZINC000262214488	672748516	/nfs/dbraw/zinc/74/85/16/672748516.db2.gz	KHONICYDBSQAAU-UHFFFAOYSA-N	1	0	351.252	1.785	20	30		FDEDRO
O=S1(=O)CC[C@@H](CNC(N[C@@H]2CCc3ccccc3C2)=[NH+]C2CC2)C1	ZINC000262250063	672754764	/nfs/dbraw/zinc/75/47/64/672754764.db2.gz	QJRMJBVEDOIKQA-KBXCAEBGSA-N	1	0	361.511	1.676	20	30		FDEDRO
CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CCOC2(CCSCC2)C1	ZINC000262282953	672761271	/nfs/dbraw/zinc/76/12/71/672761271.db2.gz	JMRDHJNOPDSNMU-CQSZACIVSA-N	1	0	356.536	1.463	20	30		FDEDRO
CN(C)C(=O)CNC(=[NH+]C1CC1)N1CC[C@H](Oc2ccccc2Cl)C1	ZINC000262340313	672773485	/nfs/dbraw/zinc/77/34/85/672773485.db2.gz	XBFDFBJPLSCNNB-AWEZNQCLSA-N	1	0	364.877	1.989	20	30		FDEDRO
CN(C)C(=O)CNC(NC[C@H]1COC2(CCCC2)O1)=[NH+]C1CCCC1	ZINC000262350702	672774818	/nfs/dbraw/zinc/77/48/18/672774818.db2.gz	YUQYQAWSIBLVSP-HNNXBMFYSA-N	1	0	352.479	1.238	20	30		FDEDRO
Cc1cc(Br)cn2cc(CNC(=[NH2+])NC[C@H]3CCCO3)nc12	ZINC000262414969	672785959	/nfs/dbraw/zinc/78/59/59/672785959.db2.gz	YUNAOKRRTICNPQ-CYBMUJFWSA-N	1	0	366.263	1.989	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(N[C@@H]2CCN(C3CC3)C2)=[NH+]C2CCCC2)C1	ZINC000262417846	672786134	/nfs/dbraw/zinc/78/61/34/672786134.db2.gz	QKEPKISQRAUERG-GDBMZVCRSA-N	1	0	368.547	1.136	20	30		FDEDRO
C[NH+]=C(NC[C@@]1(O)CCSC1)N[C@H]1CCCN(c2cccc(F)c2)C1	ZINC000262456577	672792576	/nfs/dbraw/zinc/79/25/76/672792576.db2.gz	WVXONEJIOQAPRE-YJBOKZPZSA-N	1	0	366.506	1.828	20	30		FDEDRO
CC(C)C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@@]2(CCOC2)C1	ZINC000262461338	672793544	/nfs/dbraw/zinc/79/35/44/672793544.db2.gz	XPJYNPDKWFJAAC-DOTOQJQBSA-N	1	0	357.520	1.135	20	30		FDEDRO
CCS(=O)(=O)NCCNC(=[NH+]C)N1CC[C@@H](c2ccccc2C)C1	ZINC000262487683	672797409	/nfs/dbraw/zinc/79/74/09/672797409.db2.gz	TWBFRPRWFWGLTA-OAHLLOKOSA-N	1	0	352.504	1.299	20	30		FDEDRO
[NH2+]=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)N1CCCCCC1	ZINC000262503889	672800179	/nfs/dbraw/zinc/80/01/79/672800179.db2.gz	LDSGNLPRQLGRSD-UHFFFAOYSA-N	1	0	352.451	1.442	20	30		FDEDRO
[NH2+]=C(NCCN1CCN(C(=O)C2CCCCC2)CC1)N1CCSCC1	ZINC000262549067	672806214	/nfs/dbraw/zinc/80/62/14/672806214.db2.gz	WXIVQXZPRYHVHU-UHFFFAOYSA-N	1	0	367.563	1.074	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NC[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1	ZINC000262675914	672828989	/nfs/dbraw/zinc/82/89/89/672828989.db2.gz	TZJDZEBZSVPILA-WFASDCNBSA-N	1	0	354.476	1.530	20	30		FDEDRO
CC[NH+]=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)NC(C)(C)C	ZINC000262783452	672849499	/nfs/dbraw/zinc/84/94/99/672849499.db2.gz	LYEKCHWOFIXSLU-UHFFFAOYSA-N	1	0	354.467	1.604	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C[NH+](C)C)cc1	ZINC000263941211	672894615	/nfs/dbraw/zinc/89/46/15/672894615.db2.gz	ZOCNLXJPPPQRLB-OAHLLOKOSA-N	1	0	351.472	1.317	20	30		FDEDRO
CC(C)CNC(=[NH2+])NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1	ZINC000264120853	672902027	/nfs/dbraw/zinc/90/20/27/672902027.db2.gz	UWHXCEOSDOZZEW-HNNXBMFYSA-N	1	0	368.503	1.204	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NCCNC(=O)c1ccc(Br)cc1	ZINC000264120780	672902037	/nfs/dbraw/zinc/90/20/37/672902037.db2.gz	USTMWOJSDCSXRI-JTQLQIEISA-N	1	0	357.252	1.118	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N(C)Cc2ccc(S(C)(=O)=O)cc2)CC1	ZINC000265899709	673013381	/nfs/dbraw/zinc/01/33/81/673013381.db2.gz	HPKDRTXKJDWEJU-UHFFFAOYSA-N	1	0	365.499	1.882	20	30		FDEDRO
[NH2+]=C(NCCS(=O)(=O)NCC1CCC1)Nc1ccc2c(c1)CCC2	ZINC000267432983	673303314	/nfs/dbraw/zinc/30/33/14/673303314.db2.gz	NAFNAIFPNPMUSC-UHFFFAOYSA-N	1	0	350.488	1.621	20	30		FDEDRO
COc1cccc(O[C@@H](C)CNC(=[NH2+])NCCCN2CCOCC2)c1	ZINC000267453616	673305845	/nfs/dbraw/zinc/30/58/45/673305845.db2.gz	SBXHPZJERHXGRE-HNNXBMFYSA-N	1	0	350.463	1.089	20	30		FDEDRO
C#Cc1ccc(C[NH2+]Cc2ccccc2S(=O)(=O)N(C)CCO)cc1	ZINC000290525108	676211410	/nfs/dbraw/zinc/21/14/10/676211410.db2.gz	XWROWEBPMBAVAH-UHFFFAOYSA-N	1	0	358.463	1.571	20	30		FDEDRO
C=CC[NH+]1CCC(Nc2cc(S(=O)(=O)N3CCCC3)ccn2)CC1	ZINC000279368450	675283918	/nfs/dbraw/zinc/28/39/18/675283918.db2.gz	LHVVKRIAZKIDAS-UHFFFAOYSA-N	1	0	350.488	1.928	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000281799236	675560971	/nfs/dbraw/zinc/56/09/71/675560971.db2.gz	PVZOJXDNXQYGGE-NUJGCVRESA-N	1	0	364.515	1.823	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000282319223	675622007	/nfs/dbraw/zinc/62/20/07/675622007.db2.gz	OLXVQNXUAKXVIT-BQFCYCMXSA-N	1	0	364.515	1.965	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[N@H+](Cc2ccccc2)CC1	ZINC000282980895	675645465	/nfs/dbraw/zinc/64/54/65/675645465.db2.gz	XIEWQGJPHNXEEY-INIZCTEOSA-N	1	0	350.488	1.531	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCOc2ccccc2Cl)CC1	ZINC000283758958	675661066	/nfs/dbraw/zinc/66/10/66/675661066.db2.gz	MMDZHMMFHNKZCF-UHFFFAOYSA-N	1	0	365.861	1.602	20	30		FDEDRO
COc1ncc([C@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1Cl	ZINC000284470321	675716893	/nfs/dbraw/zinc/71/68/93/675716893.db2.gz	UJTMSHDUFHJREV-PQJBRBTKSA-N	1	0	350.806	1.921	20	30		FDEDRO
C#CC[C@H](Cc1ccccc1)[NH2+][C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1	ZINC000285102706	675798543	/nfs/dbraw/zinc/79/85/43/675798543.db2.gz	LXHMXDNTQRZHGO-KBAYOESNSA-N	1	0	362.495	1.245	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(c3snc(C)c3C#N)CC2)CC1	ZINC000291025576	676240365	/nfs/dbraw/zinc/24/03/65/676240365.db2.gz	DUBPMDXPBXOZRX-UHFFFAOYSA-N	1	0	357.483	1.317	20	30		FDEDRO
C=CC[NH+](CC=C)CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000297768681	676429072	/nfs/dbraw/zinc/42/90/72/676429072.db2.gz	FYHDCLWHULGMHO-UHFFFAOYSA-N	1	0	351.472	1.057	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1	ZINC000298472584	676466762	/nfs/dbraw/zinc/46/67/62/676466762.db2.gz	CGQBJJIFNIHSCY-SJORKVTESA-N	1	0	363.483	1.508	20	30		FDEDRO
CC[C@H](C)NC(=O)CCNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000303904587	676543778	/nfs/dbraw/zinc/54/37/78/676543778.db2.gz	YVRRJOUIYCWXPV-ZDUSSCGKSA-N	1	0	355.483	1.159	20	30		FDEDRO
C[NH+]=C(NCCCc1nc2c(s1)CCCC2)NCCN1CCOCC1	ZINC000303973436	676543945	/nfs/dbraw/zinc/54/39/45/676543945.db2.gz	GWJTYHWCLBVHOZ-UHFFFAOYSA-N	1	0	365.547	1.452	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NCCCNC(=O)c1ccc(Br)cc1	ZINC000303969276	676543980	/nfs/dbraw/zinc/54/39/80/676543980.db2.gz	BPVOUZBNYXUZIP-LLVKDONJSA-N	1	0	371.279	1.508	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2cc(OC)ccc2O)CC1	ZINC000304755829	676544413	/nfs/dbraw/zinc/54/44/13/676544413.db2.gz	NCWRYDGIBHREIM-UHFFFAOYSA-N	1	0	350.419	1.426	20	30		FDEDRO
CCNS(=O)(=O)c1ccc(CNC(=[NH2+])NCCc2ccccc2)cc1	ZINC000305062310	676544694	/nfs/dbraw/zinc/54/46/94/676544694.db2.gz	KATUVOFRWYSQKA-UHFFFAOYSA-N	1	0	360.483	1.632	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCC[C@@H]3CCCCO3)=[NH+]C[C@H]2C1	ZINC000305833531	676545238	/nfs/dbraw/zinc/54/52/38/676545238.db2.gz	FCLZYHYKKXDUDW-GJZGRUSLSA-N	1	0	352.479	1.826	20	30		FDEDRO
C[N@H+](CC(=O)Nc1ccc2c(c1)OCCCO2)CC1(O)CCOCC1	ZINC000328610844	676599819	/nfs/dbraw/zinc/59/98/19/676599819.db2.gz	OALFRLVCUFCTLL-UHFFFAOYSA-N	1	0	350.415	1.909	20	30		FDEDRO
COC[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@H]1CCCO1	ZINC000328670081	676601713	/nfs/dbraw/zinc/60/17/13/676601713.db2.gz	FPIBNNWJFYXJGS-IXDOHACOSA-N	1	0	355.479	1.139	20	30		FDEDRO
C[C@H](CNC(=O)N[C@H]1CCC(=O)NC12CCC2)C[NH+]1CCN(C)CC1	ZINC000328734975	676604736	/nfs/dbraw/zinc/60/47/36/676604736.db2.gz	ISQYQANIIDTFND-CABCVRRESA-N	1	0	351.495	1.415	20	30		FDEDRO
O=C(N[C@@H]1CCO[C@@H]1C1CC1)N1CCC(CC[NH+]2CCOCC2)CC1	ZINC000328837308	676609075	/nfs/dbraw/zinc/60/90/75/676609075.db2.gz	NFQLKACXLYKJBB-QZTJIDSGSA-N	1	0	351.491	1.902	20	30		FDEDRO
C[N@@H+]1CC[C@H]2OCCN(CC(=O)Nc3nnc(C(C)(C)C)s3)[C@H]2C1	ZINC000329043616	676617099	/nfs/dbraw/zinc/61/70/99/676617099.db2.gz	UEUQDFROXLWRQE-NWDGAFQWSA-N	1	0	353.492	1.829	20	30		FDEDRO
C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C[C@H]1C(N)=O	ZINC000329052271	676617713	/nfs/dbraw/zinc/61/77/13/676617713.db2.gz	LETMJBFOGWGBRV-DTZQCDIJSA-N	1	0	352.479	1.771	20	30		FDEDRO
O=C(CN1C[C@@H](F)C[C@H]1CO)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000329067643	676618163	/nfs/dbraw/zinc/61/81/63/676618163.db2.gz	XDGXANDFGWXYET-HOTGVXAUSA-N	1	0	357.470	1.383	20	30		FDEDRO
C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1C(=O)NC1CC[NH+](C2CC2)CC1	ZINC000329072666	676618388	/nfs/dbraw/zinc/61/83/88/676618388.db2.gz	ZQPZAOIHIYJNPC-LMMKCTJWSA-N	1	0	351.491	1.779	20	30		FDEDRO
O=C(CCC(=O)N1CCOCC1)NCC1([NH+]2CCCC2)CCOCC1	ZINC000329117349	676620951	/nfs/dbraw/zinc/62/09/51/676620951.db2.gz	ULZQKPQEYTUALD-UHFFFAOYSA-N	1	0	353.463	1.227	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CCN(Cc2ccsc2)CC1	ZINC000329161859	676623333	/nfs/dbraw/zinc/62/33/33/676623333.db2.gz	FMTLZRGSVORLPT-HZPDHXFCSA-N	1	0	364.515	1.737	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)CNC(=O)c3ccsc3)CC2)C1=O	ZINC000329208664	676625400	/nfs/dbraw/zinc/62/54/00/676625400.db2.gz	YTJIRGCUWZXIIC-AWEZNQCLSA-N	1	0	364.471	1.704	20	30		FDEDRO
C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1	ZINC000329213447	676625716	/nfs/dbraw/zinc/62/57/16/676625716.db2.gz	JLRVNNZUWHQJHW-IXDOHACOSA-N	1	0	350.507	1.760	20	30		FDEDRO
C[C@H](CNC(=O)N1CC[C@@H](C(=O)N2CCCC2)C1)[N@@H+]1CCC[C@@H](C)C1	ZINC000329246437	676628492	/nfs/dbraw/zinc/62/84/92/676628492.db2.gz	VSPXINXTLXXEBT-BRWVUGGUSA-N	1	0	350.507	1.965	20	30		FDEDRO
CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C2CC2)CC1	ZINC000329350924	676634675	/nfs/dbraw/zinc/63/46/75/676634675.db2.gz	DJTRQYIDUPAOIX-GDBMZVCRSA-N	1	0	357.520	1.925	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)N3CC[C@@H](O)C(C)(C)C3)CC2)CC1	ZINC000329414840	676637755	/nfs/dbraw/zinc/63/77/55/676637755.db2.gz	FFDWRBIJCSHGRN-QGZVFWFLSA-N	1	0	352.523	1.552	20	30		FDEDRO
C[N@H+](CCNC(=O)NC1CCC(C(=O)N2CCSCC2)CC1)C1CC1	ZINC000329417497	676637763	/nfs/dbraw/zinc/63/77/63/676637763.db2.gz	FZNBDGNOXJUFCD-UHFFFAOYSA-N	1	0	368.547	1.718	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)C(C)(C)C)CC1	ZINC000329497130	676641373	/nfs/dbraw/zinc/64/13/73/676641373.db2.gz	XLQZBYVXPIIWQK-HNNXBMFYSA-N	1	0	354.495	1.202	20	30		FDEDRO
CC[N@@H+]1CCCN(C(=O)N[C@@H](c2nc(C)no2)C2CCOCC2)CC1	ZINC000329524168	676642516	/nfs/dbraw/zinc/64/25/16/676642516.db2.gz	SBBTVNHGVKLVCE-OAHLLOKOSA-N	1	0	351.451	1.787	20	30		FDEDRO
Cc1noc([C@H](C)NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)n1	ZINC000329564749	676644123	/nfs/dbraw/zinc/64/41/23/676644123.db2.gz	SIKLYRKIPWRCAZ-NILFDRSVSA-N	1	0	351.451	1.711	20	30		FDEDRO
C[C@@H]1CCC[C@](CNC(=O)NC[C@H]2CCCCS2(=O)=O)([NH+](C)C)C1	ZINC000329615383	676646309	/nfs/dbraw/zinc/64/63/09/676646309.db2.gz	DFSLDNGASZRQOU-INMHGKMJSA-N	1	0	359.536	1.968	20	30		FDEDRO
CC1=CC[N@H+](CCNC(=O)c2ccc(S(=O)(=O)N(C)C)nc2)CC1	ZINC000329676001	676648847	/nfs/dbraw/zinc/64/88/47/676648847.db2.gz	PIDZJWSEPLHTGX-UHFFFAOYSA-N	1	0	352.460	1.289	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C[C@H]1C	ZINC000329716648	676651323	/nfs/dbraw/zinc/65/13/23/676651323.db2.gz	WSFSSXQUYFTNII-HLPPOEQASA-N	1	0	354.495	1.821	20	30		FDEDRO
CN1CCO[C@H](C(=O)NC2CCC(C(=O)N3CCSCC3)CC2)C1	ZINC000329734214	676652298	/nfs/dbraw/zinc/65/22/98/676652298.db2.gz	KEAZQKMJKDRLTB-NRXISQOPSA-N	1	0	355.504	1.408	20	30		FDEDRO
O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N[C@H]1CCCS(=O)(=O)C1	ZINC000329813758	676658532	/nfs/dbraw/zinc/65/85/32/676658532.db2.gz	DNHUUOBDGJLKOY-HNNXBMFYSA-N	1	0	366.487	1.379	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc(S(C)(=O)=O)s3)CC[C@@H]21	ZINC000329885912	676662269	/nfs/dbraw/zinc/66/22/69/676662269.db2.gz	VIHASPDDODFBLY-OCCSQVGLSA-N	1	0	371.528	1.982	20	30		FDEDRO
O=C(NCC1([NH+]2CCSCC2)CCCCC1)N1CCn2ncnc2C1	ZINC000329950553	676665288	/nfs/dbraw/zinc/66/52/88/676665288.db2.gz	HWEZJAUCCMCLOU-UHFFFAOYSA-N	1	0	364.519	1.759	20	30		FDEDRO
CCC(=O)N1CC[C@@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1	ZINC000329993757	676667995	/nfs/dbraw/zinc/66/79/95/676667995.db2.gz	LRDVVOAWNKTXHI-OAHLLOKOSA-N	1	0	352.479	1.146	20	30		FDEDRO
C[NH+]1CCC(O)(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)CC1	ZINC000330009304	676668521	/nfs/dbraw/zinc/66/85/21/676668521.db2.gz	GCODLZGQQMCWRX-CVEARBPZSA-N	1	0	351.491	1.828	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)CCN2C(=O)NC3(CCCC3)C2=O)CCSC1	ZINC000330048059	676670182	/nfs/dbraw/zinc/67/01/82/676670182.db2.gz	JUWGWLXTUJCYMW-INIZCTEOSA-N	1	0	368.503	1.839	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2CCSC[C@@H]2c2cnn(C)c2)CC1	ZINC000330097484	676672393	/nfs/dbraw/zinc/67/23/93/676672393.db2.gz	ATTKYHNPCNUROA-MRXNPFEDSA-N	1	0	351.520	1.951	20	30		FDEDRO
C[C@@H]1CN(C2CCOCC2)CCN1S(=O)(=O)CC1(C#N)CCCCC1	ZINC000330188507	676677543	/nfs/dbraw/zinc/67/75/43/676677543.db2.gz	UPFNTLLMCXDGGV-MRXNPFEDSA-N	1	0	369.531	1.975	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)C1	ZINC000330211276	676678677	/nfs/dbraw/zinc/67/86/77/676678677.db2.gz	JALLYGATWSNAHM-HZPDHXFCSA-N	1	0	374.551	1.234	20	30		FDEDRO
C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)N[C@@H]1CCO[C@]2(CCSC2)C1	ZINC000330249997	676680891	/nfs/dbraw/zinc/68/08/91/676680891.db2.gz	GPJHBFMYTABNAG-KCYZZUKISA-N	1	0	357.520	1.342	20	30		FDEDRO
CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1	ZINC000330577817	676696957	/nfs/dbraw/zinc/69/69/57/676696957.db2.gz	NNBXFLLKFVJTBS-WDEREUQCSA-N	1	0	367.837	1.434	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)CC1	ZINC000330659039	676700154	/nfs/dbraw/zinc/70/01/54/676700154.db2.gz	RCFHJWGMURBTMD-OAHLLOKOSA-N	1	0	372.535	1.202	20	30		FDEDRO
CN(C)S(=O)(=O)c1ccccc1NC(=O)N1CCC([NH+](C)C)CC1	ZINC000330774081	676703865	/nfs/dbraw/zinc/70/38/65/676703865.db2.gz	GHLZJONWWHWQOT-UHFFFAOYSA-N	1	0	354.476	1.508	20	30		FDEDRO
CC[C@H](NC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1)c1c(C)nn(C)c1C	ZINC000330809919	676704923	/nfs/dbraw/zinc/70/49/23/676704923.db2.gz	AHPUWSZZFLJWSI-XEZPLFJOSA-N	1	0	351.495	1.789	20	30		FDEDRO
CNS(=O)(=O)c1cccc(NC(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c1	ZINC000330836189	676705881	/nfs/dbraw/zinc/70/58/81/676705881.db2.gz	WWIWZSYKPXVUAS-KGLIPLIRSA-N	1	0	372.516	1.118	20	30		FDEDRO
CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1	ZINC000330863093	676707128	/nfs/dbraw/zinc/70/71/28/676707128.db2.gz	SXBVPVCJWFCZDS-COLVAYQJSA-N	1	0	354.401	1.738	20	30		FDEDRO
COc1ccc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1NS(C)(=O)=O	ZINC000330901888	676708869	/nfs/dbraw/zinc/70/88/69/676708869.db2.gz	XCPMTXCPLGMQFB-NEPJUHHUSA-N	1	0	370.475	1.637	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)CNC(=O)c2c(F)cccc2Cl)[C@@H](C)C1	ZINC000331036169	676714681	/nfs/dbraw/zinc/71/46/81/676714681.db2.gz	BCPWLJWBPDQUBG-RYUDHWBXSA-N	1	0	371.840	1.697	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)CC1	ZINC000331177944	676720165	/nfs/dbraw/zinc/72/01/65/676720165.db2.gz	LWDJNHNGTAXLFR-HZPDHXFCSA-N	1	0	372.535	1.391	20	30		FDEDRO
CCOC(=O)[C@@H]1CC[C@H](NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)C1	ZINC000331224868	676722753	/nfs/dbraw/zinc/72/27/53/676722753.db2.gz	AELKUDNCMHOELW-ZNMIVQPWSA-N	1	0	355.479	1.409	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)CC1	ZINC000331227675	676723025	/nfs/dbraw/zinc/72/30/25/676723025.db2.gz	BRAMSRSDJGDCJP-UHFFFAOYSA-N	1	0	354.476	1.843	20	30		FDEDRO
CC[C@]1(C)CN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1	ZINC000331296297	676726123	/nfs/dbraw/zinc/72/61/23/676726123.db2.gz	YTGALOSHKKAKDX-CRAIPNDOSA-N	1	0	354.495	1.344	20	30		FDEDRO
C[C@@H](CNS(=O)(=O)CC1(C#N)CCCCC1)CN1CC[NH+](C)CC1	ZINC000332652041	676743542	/nfs/dbraw/zinc/74/35/42/676743542.db2.gz	YWYIXYRISRUANO-INIZCTEOSA-N	1	0	356.536	1.263	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000332687285	676744272	/nfs/dbraw/zinc/74/42/72/676744272.db2.gz	ONTVGGHIAUJKNF-BZSNNMDCSA-N	1	0	351.491	1.721	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2C[C@H]([NH3+])[C@H](c3ccc(F)cc3)C2)ccc1F	ZINC000364302859	677006448	/nfs/dbraw/zinc/00/64/48/677006448.db2.gz	IVNRGHWIICVQKH-RDJZCZTQSA-N	1	0	363.389	1.952	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[NH+]([C@@H]2CCSC2)CC1	ZINC000365897749	677390181	/nfs/dbraw/zinc/39/01/81/677390181.db2.gz	YJHQIXUMEIQLMQ-JKSUJKDBSA-N	1	0	350.532	1.841	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@]2(F)CC[NH2+]C2)cc1	ZINC000366329526	677434190	/nfs/dbraw/zinc/43/41/90/677434190.db2.gz	KPHZCYAPELQSBI-ZHTGWBIJSA-N	1	0	368.434	1.140	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1c2ccccc2CC[C@H]1[NH+](C)C	ZINC000367124655	677488297	/nfs/dbraw/zinc/48/82/97/677488297.db2.gz	JVYSFWHUYBVLKK-XYPHTWIQSA-N	1	0	350.488	1.530	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000367228955	677490749	/nfs/dbraw/zinc/49/07/49/677490749.db2.gz	DANGTFJLEMRFMO-INIZCTEOSA-N	1	0	364.515	1.967	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)N1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1	ZINC000369004013	677502696	/nfs/dbraw/zinc/50/26/96/677502696.db2.gz	VVURULQGRXXRKQ-DOTOQJQBSA-N	1	0	371.547	1.041	20	30		FDEDRO
CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NCC(C)(C)CC#N)CC1	ZINC000422394058	680720896	/nfs/dbraw/zinc/72/08/96/680720896.db2.gz	BDQWZISMTLTWFP-UHFFFAOYSA-N	1	0	350.507	1.917	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@]3(CCC[C@H]3[NH3+])C2)c1	ZINC000372789306	677976673	/nfs/dbraw/zinc/97/66/73/677976673.db2.gz	XFUVWOPKMKOWQK-SJLPKXTDSA-N	1	0	363.483	1.494	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@](COC)(C(=O)OCC)C2)CC1	ZINC000374061539	678071450	/nfs/dbraw/zinc/07/14/50/678071450.db2.gz	NXBMANAWSSRONB-LJQANCHMSA-N	1	0	350.459	1.150	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1	ZINC000374616313	678088448	/nfs/dbraw/zinc/08/84/48/678088448.db2.gz	YYQSVPZMHORJIA-ROUUACIJSA-N	1	0	350.551	1.900	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1	ZINC000423025995	680772912	/nfs/dbraw/zinc/77/29/12/680772912.db2.gz	PQOWXDRDGMXTIK-CHWSQXEVSA-N	1	0	367.902	1.984	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000377673652	678589004	/nfs/dbraw/zinc/58/90/04/678589004.db2.gz	MXJTUAYLJLJQEC-HOCLYGCPSA-N	1	0	368.840	1.826	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000377673651	678589036	/nfs/dbraw/zinc/58/90/36/678589036.db2.gz	MXJTUAYLJLJQEC-GOEBONIOSA-N	1	0	368.840	1.826	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C	ZINC000409490579	678850001	/nfs/dbraw/zinc/85/00/01/678850001.db2.gz	HSQZHDCDYDUTBC-INIZCTEOSA-N	1	0	360.524	1.193	20	30		FDEDRO
N#C[C@@H]1CN(S(=O)(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)CCO1	ZINC000410159710	678888213	/nfs/dbraw/zinc/88/82/13/678888213.db2.gz	ALEFJJQWGNXIPU-IAGOWNOFSA-N	1	0	370.519	1.090	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc1	ZINC000424009140	680825757	/nfs/dbraw/zinc/82/57/57/680825757.db2.gz	HRDDPCDHNXZLKR-DZGCQCFKSA-N	1	0	351.472	1.208	20	30		FDEDRO
Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H]([NH3+])CCCC#N	ZINC000424073411	680828585	/nfs/dbraw/zinc/82/85/85/680828585.db2.gz	FMJBYQYKUJELTN-LBPRGKRZSA-N	1	0	367.247	1.833	20	30		FDEDRO
C[C@H]([NH2+][C@@H](CO)[C@@H]1CCCOC1)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000411998172	679140290	/nfs/dbraw/zinc/14/02/90/679140290.db2.gz	VNOHPSABNAETQC-GHJWDPDVSA-N	1	0	351.834	1.916	20	30		FDEDRO
C[C@@H]1C[C@H](O)C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000412042119	679146516	/nfs/dbraw/zinc/14/65/16/679146516.db2.gz	TWNYAXIOIRIWRO-CJNGLKHVSA-N	1	0	354.372	1.876	20	30		FDEDRO
N#CCCNS(=O)(=O)c1ccc(-c2nc(C3([NH3+])CCCC3)no2)cc1	ZINC000414620554	679361046	/nfs/dbraw/zinc/36/10/46/679361046.db2.gz	QBGUYBNOKGJRFR-UHFFFAOYSA-N	1	0	361.427	1.657	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1	ZINC000414894760	679372806	/nfs/dbraw/zinc/37/28/06/679372806.db2.gz	LSCJJFFYKMINRW-KBPBESRZSA-N	1	0	366.487	1.694	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000415266414	679397986	/nfs/dbraw/zinc/39/79/86/679397986.db2.gz	RXLXWRYPUJKFEK-CYBMUJFWSA-N	1	0	359.327	1.655	20	30		FDEDRO
C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1	ZINC000415354717	679412986	/nfs/dbraw/zinc/41/29/86/679412986.db2.gz	FEENQCKAOGKTJM-GFCCVEGCSA-N	1	0	365.231	1.470	20	30		FDEDRO
CC(C)(C[NH3+])NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000415383024	679419947	/nfs/dbraw/zinc/41/99/47/679419947.db2.gz	QVYYFBMKXFPNFD-UHFFFAOYSA-N	1	0	358.320	1.291	20	30		FDEDRO
C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000415492115	679439280	/nfs/dbraw/zinc/43/92/80/679439280.db2.gz	KWNGBFHJGFJLCG-LBPRGKRZSA-N	1	0	354.332	1.726	20	30		FDEDRO
N#Cc1ccc(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1F	ZINC000415743051	679490463	/nfs/dbraw/zinc/49/04/63/679490463.db2.gz	MJIPQNRZDAZSQO-CYBMUJFWSA-N	1	0	359.327	1.655	20	30		FDEDRO
C[C@@H](CCC[NH3+])NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000415760576	679494491	/nfs/dbraw/zinc/49/44/91/679494491.db2.gz	LXSIKCGNZZYETK-VIFPVBQESA-N	1	0	358.320	1.639	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1Cl	ZINC000415825868	679516180	/nfs/dbraw/zinc/51/61/80/679516180.db2.gz	ZDMADMKCVQHCRP-UONOGXRCSA-N	1	0	360.845	1.998	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1	ZINC000416366358	679585679	/nfs/dbraw/zinc/58/56/79/679585679.db2.gz	CVOGAHNDWDUJSP-KFWWJZLASA-N	1	0	351.472	1.627	20	30		FDEDRO
C[C@@H]([NH2+]C1(CNS(=O)(=O)[C@@H](C)C#N)CCOCC1)c1ccccc1	ZINC000416393867	679602562	/nfs/dbraw/zinc/60/25/62/679602562.db2.gz	VYCXRHGCLQWJNY-LSDHHAIUSA-N	1	0	351.472	1.718	20	30		FDEDRO
C=C(CC)CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1	ZINC000418885754	680148926	/nfs/dbraw/zinc/14/89/26/680148926.db2.gz	JIKMDJWUVAUJFJ-XJKSGUPXSA-N	1	0	351.397	1.609	20	30		FDEDRO
CC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(C#N)c1Br	ZINC000419697915	680327370	/nfs/dbraw/zinc/32/73/70/680327370.db2.gz	PALJRDYEIZCBBE-UHFFFAOYSA-N	1	0	353.220	1.327	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1Br)C[NH+](C)C	ZINC000419747252	680346814	/nfs/dbraw/zinc/34/68/14/680346814.db2.gz	MTYRUKGSVBNBSV-SNVBAGLBSA-N	1	0	367.247	1.573	20	30		FDEDRO
C=CCN(CC1CCCCC1)C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C	ZINC000420012114	680389415	/nfs/dbraw/zinc/38/94/15/680389415.db2.gz	AQEIHEXPJJSKFX-GOEBONIOSA-N	1	0	351.491	1.811	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1Br	ZINC000420448691	680456441	/nfs/dbraw/zinc/45/64/41/680456441.db2.gz	JOZSRNREMWFSMX-GXFFZTMASA-N	1	0	358.261	1.726	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1C(F)(F)F	ZINC000427940189	680990374	/nfs/dbraw/zinc/99/03/74/680990374.db2.gz	KWQBUFQBBKLGGG-BXUZGUMPSA-N	1	0	359.373	1.950	20	30		FDEDRO
CC1(C)CCC[NH2+][C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000430355301	681072761	/nfs/dbraw/zinc/07/27/61/681072761.db2.gz	LZCCBTWCZPKCBU-AWEZNQCLSA-N	1	0	352.416	1.523	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1	ZINC000430394994	681075157	/nfs/dbraw/zinc/07/51/57/681075157.db2.gz	QBFQKJLYGJAXEK-ZACQAIPSSA-N	1	0	351.491	1.178	20	30		FDEDRO
C=CCN(C(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CCS(=O)(=O)C1	ZINC000433303342	681178928	/nfs/dbraw/zinc/17/89/28/681178928.db2.gz	KRWBBTQECFTVOG-IRXDYDNUSA-N	1	0	350.484	1.881	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2nc3c(s2)C[C@H](C)CC3)CC1	ZINC000434922847	681542524	/nfs/dbraw/zinc/54/25/24/681542524.db2.gz	NISUEIRJPUNVCX-GFCCVEGCSA-N	1	0	362.499	1.973	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)CN1CCOCC1	ZINC000443657508	682329024	/nfs/dbraw/zinc/32/90/24/682329024.db2.gz	MMORGTHVMDBKQL-VQIMIIECSA-N	1	0	352.523	1.720	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)c1cnc2n1CCC2)C(C)C	ZINC000444098533	682380958	/nfs/dbraw/zinc/38/09/58/682380958.db2.gz	ARQDUWYHXAQAAO-OAHLLOKOSA-N	1	0	352.504	1.806	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H](C)[C@@H](C)CO	ZINC000450731654	682776933	/nfs/dbraw/zinc/77/69/33/682776933.db2.gz	ZRSJDOYUDQNIHB-GXTWGEPZSA-N	1	0	350.463	1.558	20	30		FDEDRO
C[C@H](CO)[N@@H+]1CCCN(C(=O)c2cccc(C#N)c2Br)CC1	ZINC000451086991	682813672	/nfs/dbraw/zinc/81/36/72/682813672.db2.gz	NFCLKDIQUSGQES-GFCCVEGCSA-N	1	0	366.259	1.849	20	30		FDEDRO
COCC1(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)CC1	ZINC000451129503	682824971	/nfs/dbraw/zinc/82/49/71/682824971.db2.gz	IYKIOYBWUGSNNW-UHFFFAOYSA-N	1	0	351.472	1.431	20	30		FDEDRO
CC(C)(CC#N)CS(=O)(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000451332625	682863124	/nfs/dbraw/zinc/86/31/24/682863124.db2.gz	QHJIRFIWLYRMAZ-HZPDHXFCSA-N	1	0	357.520	1.614	20	30		FDEDRO
C[C@H]1C[C@H](O)C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000452071240	683016295	/nfs/dbraw/zinc/01/62/95/683016295.db2.gz	TWNYAXIOIRIWRO-BBRMVZONSA-N	1	0	354.372	1.876	20	30		FDEDRO
N#Cc1cc(Br)ccc1C(=O)NC[C@@H]1CCC[N@H+]1CCCO	ZINC000452786327	683119245	/nfs/dbraw/zinc/11/92/45/683119245.db2.gz	XIJZCCCWTWVEBS-AWEZNQCLSA-N	1	0	366.259	1.897	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000453613048	683169773	/nfs/dbraw/zinc/16/97/73/683169773.db2.gz	NHJRGIZWBVMXBU-NWDGAFQWSA-N	1	0	363.849	1.782	20	30		FDEDRO
N#CCc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c(Cl)c1	ZINC000453663077	683179889	/nfs/dbraw/zinc/17/98/89/683179889.db2.gz	SXANZYJULFNHSA-CQSZACIVSA-N	1	0	358.829	1.817	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC(C)(C)C[NH+](C)C)cc1	ZINC000455250427	683420404	/nfs/dbraw/zinc/42/04/04/683420404.db2.gz	IWJGSXHAQLAXBO-LBPRGKRZSA-N	1	0	352.460	1.834	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1CCC([N@H+](C)CCCO)CC1	ZINC000464420270	684743426	/nfs/dbraw/zinc/74/34/26/684743426.db2.gz	MONQNNNRTUGJTK-UHFFFAOYSA-N	1	0	367.471	1.034	20	30		FDEDRO
C[NH+](C)CC1(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CCC1	ZINC000466570083	684817699	/nfs/dbraw/zinc/81/76/99/684817699.db2.gz	MYBOOAXSHYAHNZ-UHFFFAOYSA-N	1	0	363.483	1.978	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000467784356	684876994	/nfs/dbraw/zinc/87/69/94/684876994.db2.gz	FNXATHLMPSUZCA-KRWDZBQOSA-N	1	0	350.488	1.673	20	30		FDEDRO
C[C@H](CO)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1	ZINC000470938604	685094240	/nfs/dbraw/zinc/09/42/40/685094240.db2.gz	XQFHVJZZKPBQAV-GFCCVEGCSA-N	1	0	364.833	1.065	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@@H](CC(N)=O)C1)C(C)C	ZINC000472957463	685253326	/nfs/dbraw/zinc/25/33/26/685253326.db2.gz	GFGXWFLTAWDADR-IRXDYDNUSA-N	1	0	350.507	1.982	20	30		FDEDRO
C=CCCS(=O)(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1	ZINC000480994702	686275388	/nfs/dbraw/zinc/27/53/88/686275388.db2.gz	UEUZHWIULAEWMG-UHFFFAOYSA-N	1	0	367.515	1.655	20	30		FDEDRO
C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1	ZINC000486121318	686836595	/nfs/dbraw/zinc/83/65/95/686836595.db2.gz	AIQZOBPEHNEUQT-WQVCFCJDSA-N	1	0	358.467	1.596	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCC[N@@H+](C)CCCC)c1	ZINC000488835596	687062623	/nfs/dbraw/zinc/06/26/23/687062623.db2.gz	GORAFVAHZDLTJO-UHFFFAOYSA-N	1	0	353.488	1.613	20	30		FDEDRO
CC(C)[C@H](CNS(=O)(=O)CC1(C#N)CCCC1)N1CC[NH+](C)CC1	ZINC000498914566	687879238	/nfs/dbraw/zinc/87/92/38/687879238.db2.gz	ZRDCEGXZICPJRP-INIZCTEOSA-N	1	0	356.536	1.262	20	30		FDEDRO
C[C@H](CC[NH+](C)C)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1	ZINC000499063748	687901660	/nfs/dbraw/zinc/90/16/60/687901660.db2.gz	DIWRUOJROXBIAK-CQSZACIVSA-N	1	0	351.472	1.834	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2cncc(NS(C)(=O)=O)c2)CC1	ZINC000503256895	688345498	/nfs/dbraw/zinc/34/54/98/688345498.db2.gz	BYJANLLBVWHGKV-UHFFFAOYSA-N	1	0	352.460	1.223	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1	ZINC000510521039	689388611	/nfs/dbraw/zinc/38/86/11/689388611.db2.gz	BSCFGJFWYFGUAW-GOSISDBHSA-N	1	0	362.499	1.675	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1	ZINC000510871448	689431072	/nfs/dbraw/zinc/43/10/72/689431072.db2.gz	FSJMJVZJIOJAOK-CYBMUJFWSA-N	1	0	362.396	1.529	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(C#N)c(F)c1	ZINC000516103996	689916568	/nfs/dbraw/zinc/91/65/68/689916568.db2.gz	OQMADOASVGWNMT-SWLSCSKDSA-N	1	0	354.451	1.619	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(S(N)(=O)=O)cn1)C(C)C	ZINC000516918289	690011151	/nfs/dbraw/zinc/01/11/51/690011151.db2.gz	HEBKZYVRBVBBMY-INIZCTEOSA-N	1	0	366.487	1.157	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCC[N@H+]2CC[C@H](C)C2)cc1	ZINC000525805150	694636748	/nfs/dbraw/zinc/63/67/48/694636748.db2.gz	UDLPEDCXBZQZPI-AWEZNQCLSA-N	1	0	351.472	1.223	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@@H]1[NH+](C)C	ZINC000535619906	694907295	/nfs/dbraw/zinc/90/72/95/694907295.db2.gz	GBTABLMFBDEVTN-STQMWFEESA-N	1	0	359.904	1.878	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)c1	ZINC000636092633	695095195	/nfs/dbraw/zinc/09/51/95/695095195.db2.gz	OKEGPUVYDUTMBV-IYBDPMFKSA-N	1	0	363.483	1.508	20	30		FDEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(C#N)c(C#N)nc1Cl)CC2	ZINC001164683747	719720985	/nfs/dbraw/zinc/72/09/85/719720985.db2.gz	FUROPIYDEUOSNR-UHFFFAOYSA-N	1	0	373.848	1.054	20	30		FDEDRO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nccnc2C#N)CC1	ZINC001164819164	720291834	/nfs/dbraw/zinc/29/18/34/720291834.db2.gz	CMWKTFNWEHHEMX-IAGOWNOFSA-N	1	0	354.458	1.260	20	30		FDEDRO
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cnc(C#N)cn2)CC1	ZINC001164819650	720300131	/nfs/dbraw/zinc/30/01/31/720300131.db2.gz	FKYIYZGBWPQOOV-IRXDYDNUSA-N	1	0	354.458	1.260	20	30		FDEDRO
Cc1cnc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(C#N)n1	ZINC001164833961	720334104	/nfs/dbraw/zinc/33/41/04/720334104.db2.gz	YIRXRNYYECOLHU-QZTJIDSGSA-N	1	0	368.485	1.568	20	30		FDEDRO
Cc1cnc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(C#N)n1	ZINC001164833962	720334241	/nfs/dbraw/zinc/33/42/41/720334241.db2.gz	YIRXRNYYECOLHU-ROUUACIJSA-N	1	0	368.485	1.568	20	30		FDEDRO
N#Cc1ccc([N+](=O)[O-])c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1	ZINC001164727285	720563152	/nfs/dbraw/zinc/56/31/52/720563152.db2.gz	CWUHTYKMKSINOZ-UHFFFAOYSA-N	1	0	367.413	1.716	20	30		FDEDRO
Cc1cc(C#N)c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1C	ZINC001164738430	720673256	/nfs/dbraw/zinc/67/32/56/720673256.db2.gz	JPGLDKDIJWCYLB-IRXDYDNUSA-N	1	0	350.426	1.702	20	30		FDEDRO
N#Cc1cc(F)cnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164870949	721060554	/nfs/dbraw/zinc/06/05/54/721060554.db2.gz	XNLJHFKOXHVJFH-QZTJIDSGSA-N	1	0	353.401	1.967	20	30		FDEDRO
COc1nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)ncc1C#N	ZINC001164869471	721065286	/nfs/dbraw/zinc/06/52/86/721065286.db2.gz	SUMLABSTHUOWMW-IRXDYDNUSA-N	1	0	366.425	1.232	20	30		FDEDRO
N#Cc1ccnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1F	ZINC001164864973	721087667	/nfs/dbraw/zinc/08/76/67/721087667.db2.gz	HUMLHJUPRLDUAK-SJORKVTESA-N	1	0	353.401	1.967	20	30		FDEDRO
Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc(Cl)c4C#N)C[C@H]3C2)cn1	ZINC001164761605	721093437	/nfs/dbraw/zinc/09/34/37/721093437.db2.gz	CCWFKIZHCWMJEM-UONOGXRCSA-N	1	0	357.849	1.693	20	30		FDEDRO
Cc1cnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(C#N)n1	ZINC001164879815	721130027	/nfs/dbraw/zinc/13/00/27/721130027.db2.gz	UHIXXRNEUDGICY-SJORKVTESA-N	1	0	350.426	1.531	20	30		FDEDRO
COc1nc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c(F)cc1C#N	ZINC001164763235	721187812	/nfs/dbraw/zinc/18/78/12/721187812.db2.gz	DXQFUQKHDSOXDJ-GDBMZVCRSA-N	1	0	370.432	1.793	20	30		FDEDRO
Cc1cnc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c(C#N)n1	ZINC001164896212	721429335	/nfs/dbraw/zinc/42/93/35/721429335.db2.gz	REMCBKOFOZOTPA-PXNSSMCTSA-N	1	0	370.501	1.422	20	30		FDEDRO
CSc1nc(Cl)c(C#N)c(N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)n1	ZINC001164922578	721847473	/nfs/dbraw/zinc/84/74/73/721847473.db2.gz	RDKVSDKGQURIBP-OLZOCXBDSA-N	1	0	366.922	1.938	20	30		FDEDRO
CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc(C2(C#N)CCOCC2)cn1	ZINC001164927083	721875990	/nfs/dbraw/zinc/87/59/90/721875990.db2.gz	UNKXFDVYAIREGC-RBUKOAKNSA-N	1	0	369.513	1.868	20	30		FDEDRO
COc1nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)ncc1C#N	ZINC001164999602	722251955	/nfs/dbraw/zinc/25/19/55/722251955.db2.gz	DONRZSFPATVMKA-UHFFFAOYSA-N	1	0	371.445	1.042	20	30		FDEDRO
C#CCC(CC#C)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000277524325	782368538	/nfs/dbraw/zinc/36/85/38/782368538.db2.gz	UEDJAQORFJGHHA-UHFFFAOYSA-N	1	0	351.494	1.973	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@@H]3CCOC34CCCC4)CC2)o1	ZINC000934388715	782577753	/nfs/dbraw/zinc/57/77/53/782577753.db2.gz	ZXZFQTSQTAZJQX-MRXNPFEDSA-N	1	0	373.457	1.195	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NC[C@@H]2CCN2C(=O)OC(C)(C)C)C1	ZINC000924036417	769110215	/nfs/dbraw/zinc/11/02/15/769110215.db2.gz	MWQGQXJUXFAJTI-CABCVRRESA-N	1	0	350.463	1.393	20	30		FDEDRO
C#CCN(C(=O)NCC1CCC(S(C)(=O)=O)CC1)C1CC[NH+](C)CC1	ZINC000924288088	769253884	/nfs/dbraw/zinc/25/38/84/769253884.db2.gz	QRYHZTPPOBLRFI-UHFFFAOYSA-N	1	0	369.531	1.329	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2n[nH]cc2F)C1=O	ZINC001087210097	782738759	/nfs/dbraw/zinc/73/87/59/782738759.db2.gz	TUZROJIGYVMCQP-IPYPFGDCSA-N	1	0	363.437	1.166	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccc(C(N)=O)cc1	ZINC000277583688	782743874	/nfs/dbraw/zinc/74/38/74/782743874.db2.gz	QFCZHCGZVWBEKP-UHFFFAOYSA-N	1	0	364.449	1.790	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C[C@H]1C	ZINC001104411795	782772192	/nfs/dbraw/zinc/77/21/92/782772192.db2.gz	IPKZCZWKTNJZOR-RSPOEFSDSA-N	1	0	362.514	1.773	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCO[C@@H]3C[N@@H+](C[C@@H](OC)C4CCC4)C[C@@H]32)c1	ZINC001083188180	769980740	/nfs/dbraw/zinc/98/07/40/769980740.db2.gz	IHTYXYQZPNBLTC-XUVXKRRUSA-N	1	0	369.465	1.403	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)N(C)Cc2ncc(Br)cn2)C1	ZINC000924038882	770306943	/nfs/dbraw/zinc/30/69/43/770306943.db2.gz	XNBYAXKQDANUIB-CYBMUJFWSA-N	1	0	366.263	1.478	20	30		FDEDRO
Cn1cc([C@@H]2C[C@H]2C(=O)N2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3F)C2)cn1	ZINC000970040310	771243252	/nfs/dbraw/zinc/24/32/52/771243252.db2.gz	MKVGZZPTKSEFNY-FGTMMUONSA-N	1	0	367.428	1.925	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2onc3c2CCCC3)C[C@H]1C	ZINC001104415483	782912802	/nfs/dbraw/zinc/91/28/02/782912802.db2.gz	UQRSKRSJQISIKT-HZPDHXFCSA-N	1	0	359.470	1.891	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCC(=O)NC2=O)C1	ZINC001104231877	771432537	/nfs/dbraw/zinc/43/25/37/771432537.db2.gz	WKPYVPKBNBCJJJ-DJIMGWMZSA-N	1	0	361.486	1.634	20	30		FDEDRO
C=C(C)CN1C[C@H]2OCCN(C(=O)c3ccc(N4CCCC4)nn3)[C@H]2C1	ZINC001083245509	782923915	/nfs/dbraw/zinc/92/39/15/782923915.db2.gz	VNJSKDAKZPFJQJ-DLBZAZTESA-N	1	0	357.458	1.178	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1	ZINC000430373630	771706643	/nfs/dbraw/zinc/70/66/43/771706643.db2.gz	FWUITNTVNIODMT-QZTJIDSGSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC001167215173	771744915	/nfs/dbraw/zinc/74/49/15/771744915.db2.gz	UPLJPMKXHJQPAB-ZACQAIPSSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1	ZINC000430398389	771781215	/nfs/dbraw/zinc/78/12/15/771781215.db2.gz	YANVLHACYXSPGT-KSZLIROESA-N	1	0	363.502	1.561	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](O)COCCOC)C1	ZINC001104246817	771805980	/nfs/dbraw/zinc/80/59/80/771805980.db2.gz	HTEAIYJOKMQTLH-KURKYZTESA-N	1	0	356.507	1.441	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]Cc2nnc(C3CC3)[nH]2)CC1	ZINC001167277737	771856874	/nfs/dbraw/zinc/85/68/74/771856874.db2.gz	SWXQMWZABGIZDP-CABCVRRESA-N	1	0	359.474	1.649	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1	ZINC000430417517	771872281	/nfs/dbraw/zinc/87/22/81/771872281.db2.gz	VAAPLAFWVIBBFW-KSZLIROESA-N	1	0	363.502	1.274	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1	ZINC000430418022	771884248	/nfs/dbraw/zinc/88/42/48/771884248.db2.gz	NQEQMVNECLUZMF-MSOLQXFVSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1	ZINC000970197691	772041983	/nfs/dbraw/zinc/04/19/83/772041983.db2.gz	FAQAHIBMYCGQGZ-UHOSZYNNSA-N	1	0	365.518	1.269	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1	ZINC000972234831	782986418	/nfs/dbraw/zinc/98/64/18/782986418.db2.gz	LGTUNQLBPXFEFW-RBSFLKMASA-N	1	0	353.894	1.776	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc3occc3[nH]2)C[C@H]1C	ZINC001104253913	772359667	/nfs/dbraw/zinc/35/96/67/772359667.db2.gz	HGVJQPURRQBJCR-ZIAGYGMSSA-N	1	0	356.426	1.198	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2O)CC1	ZINC000970336201	772361209	/nfs/dbraw/zinc/36/12/09/772361209.db2.gz	ITINUKNXQCYYNE-MSOLQXFVSA-N	1	0	363.502	1.297	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2O)CC1	ZINC000970336598	772362179	/nfs/dbraw/zinc/36/21/79/772362179.db2.gz	PEZSYUDYNOAAPK-MSOLQXFVSA-N	1	0	363.502	1.153	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ncnn2C)C1)OCC	ZINC001104255425	772441706	/nfs/dbraw/zinc/44/17/06/772441706.db2.gz	QWSNFRXTVQOZJL-BRWVUGGUSA-N	1	0	363.506	1.761	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC)C2)C[C@H]1C	ZINC001104260996	772516829	/nfs/dbraw/zinc/51/68/29/772516829.db2.gz	GVGLCBQYMBQSOD-BRWVUGGUSA-N	1	0	351.491	1.132	20	30		FDEDRO
CC(C)[C@H](C(=O)N1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1)[NH+](C)C	ZINC001021321595	772899835	/nfs/dbraw/zinc/89/98/35/772899835.db2.gz	DILLABJHPDAMCA-USXIJHARSA-N	1	0	357.458	1.145	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccn(C)c(=O)c1	ZINC001021381938	773114011	/nfs/dbraw/zinc/11/40/11/773114011.db2.gz	NYJKPIQAHJEYFK-TZOQOTQKSA-N	1	0	371.481	1.588	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1	ZINC001021429917	773316198	/nfs/dbraw/zinc/31/61/98/773316198.db2.gz	VYVHYUDTJJBHOP-JKIFEVAISA-N	1	0	355.442	1.044	20	30		FDEDRO
C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC000275752650	773600943	/nfs/dbraw/zinc/60/09/43/773600943.db2.gz	BLTRCZXRQYRYAI-AWEZNQCLSA-N	1	0	358.442	1.716	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1	ZINC000970792168	773629861	/nfs/dbraw/zinc/62/98/61/773629861.db2.gz	QWYSWDWNZCKFNA-SJORKVTESA-N	1	0	363.502	1.009	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3c(c2)OCC(=O)N3)C[C@H]1C	ZINC001104294203	773881229	/nfs/dbraw/zinc/88/12/29/773881229.db2.gz	CNKWTDHTWOSGGL-GDBMZVCRSA-N	1	0	355.438	1.729	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)C(C)=C4CCC4)[C@@H]3C2)CC1	ZINC001021585996	774080612	/nfs/dbraw/zinc/08/06/12/774080612.db2.gz	JXTUBYDCWNTRIY-VQTJNVASSA-N	1	0	369.509	1.891	20	30		FDEDRO
CC(=O)Nc1ccc(C)c(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1	ZINC000275874591	774258950	/nfs/dbraw/zinc/25/89/50/774258950.db2.gz	NSIBGGOPGYCMIH-UHFFFAOYSA-N	1	0	373.457	1.586	20	30		FDEDRO
COC(=O)[C@@H](F)CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000891270335	774274336	/nfs/dbraw/zinc/27/43/36/774274336.db2.gz	QVKSWLOUZLCKFW-HNNXBMFYSA-N	1	0	350.394	1.143	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2nccc3cccnc32)C[C@H]1C	ZINC001104302797	774372479	/nfs/dbraw/zinc/37/24/79/774372479.db2.gz	HYMKNICHENCXMK-SJLPKXTDSA-N	1	0	366.465	1.967	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccnc2)C1	ZINC001104306181	774435863	/nfs/dbraw/zinc/43/58/63/774435863.db2.gz	PFSAIHQBZPSMHE-RLLQIKCJSA-N	1	0	354.498	1.753	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CC(F)(F)F)C1=O	ZINC001087130868	774446401	/nfs/dbraw/zinc/44/64/01/774446401.db2.gz	MJGFVWSVAPTWOQ-HZSPNIEDSA-N	1	0	361.408	1.942	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2CCCO[C@H]2C(=C)C)CC1	ZINC001167419515	774520786	/nfs/dbraw/zinc/52/07/86/774520786.db2.gz	AJWFQNBEOUUXIV-WMZOPIPTSA-N	1	0	363.502	1.536	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC1(C[NH2+][C@@H]2CCN(C)C2=O)CC1	ZINC001167422197	774560970	/nfs/dbraw/zinc/56/09/70/774560970.db2.gz	KDXCIJBTNDLJPV-BBWFWOEESA-N	1	0	363.502	1.465	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2nccnc2N)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087138109	774769096	/nfs/dbraw/zinc/76/90/96/774769096.db2.gz	XGXKIGBADKGFCU-PBHICJAKSA-N	1	0	364.453	1.961	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCc3ccc(C#N)cc32)C1	ZINC000275990592	774888926	/nfs/dbraw/zinc/88/89/26/774888926.db2.gz	QJGYKTJRECJEHX-DLBZAZTESA-N	1	0	352.438	1.390	20	30		FDEDRO
CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N[C@@H](C)CC#N	ZINC000275997279	774932631	/nfs/dbraw/zinc/93/26/31/774932631.db2.gz	KKBHSIBJFFZLTB-AWEZNQCLSA-N	1	0	373.457	1.194	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)CC1	ZINC001167437915	774968309	/nfs/dbraw/zinc/96/83/09/774968309.db2.gz	JKLFMPTTWYASDQ-NQIIRXRSSA-N	1	0	367.493	1.806	20	30		FDEDRO
CC1CCC([NH+]2CCN(C(=O)CCNC(=O)C3N=CC=CC3=O)CC2)CC1	ZINC000255273562	775407696	/nfs/dbraw/zinc/40/76/96/775407696.db2.gz	AUKUVXARAAHQRX-FMQUCBEESA-N	1	0	374.485	1.626	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)c4cc(C)on4)[C@@H]3C2)CC1	ZINC000971258935	775517745	/nfs/dbraw/zinc/51/77/45/775517745.db2.gz	GDFZBYSQQBPORR-SJLPKXTDSA-N	1	0	370.453	1.001	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCN(C(=O)CCC)C3)[C@H]2C1	ZINC001083281936	790390372	/nfs/dbraw/zinc/39/03/72/790390372.db2.gz	IDLKQNOPZQVBNP-FGTMMUONSA-N	1	0	363.502	1.513	20	30		FDEDRO
COc1cncc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2ccc(C#N)[nH]2)n1	ZINC001087150525	775991011	/nfs/dbraw/zinc/99/10/11/775991011.db2.gz	CLFNFSBFCCIKSW-CJNGLKHVSA-N	1	0	368.441	1.715	20	30		FDEDRO
Cc1cc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2c[nH]c(C#N)c2)nn1C	ZINC001087151962	776032299	/nfs/dbraw/zinc/03/22/99/776032299.db2.gz	UDZWQHIAJMTOOS-ACJLOTCBSA-N	1	0	354.458	1.959	20	30		FDEDRO
CC(C)C[C@H]1C[N@H+](C)CCN1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000933252550	776411982	/nfs/dbraw/zinc/41/19/82/776411982.db2.gz	YNWQZGRRSYBWQO-RBUKOAKNSA-N	1	0	363.550	1.341	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4CCC4(C)C)C[C@H]32)CC1	ZINC001021884406	776499748	/nfs/dbraw/zinc/49/97/48/776499748.db2.gz	YKJFETOODHGCQX-GBESFXJTSA-N	1	0	371.525	1.827	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C[C@@H](C)C4CC4)C[C@H]32)CC1	ZINC001021886663	776501561	/nfs/dbraw/zinc/50/15/61/776501561.db2.gz	LEWXZNZEEORZDQ-LSTHTHJFSA-N	1	0	371.525	1.827	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H]2COCCO2)C1	ZINC001075419044	776502484	/nfs/dbraw/zinc/50/24/84/776502484.db2.gz	OZJUWBUBBIPMGW-QRQLOZEOSA-N	1	0	360.429	1.396	20	30		FDEDRO
N#CC1(c2ccccn2)CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000376737066	790478453	/nfs/dbraw/zinc/47/84/53/790478453.db2.gz	OFALOKGWUGYVSU-HNNXBMFYSA-N	1	0	356.386	1.105	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)c1	ZINC000782991429	790486860	/nfs/dbraw/zinc/48/68/60/790486860.db2.gz	IADVNAJIWLLAJM-UHFFFAOYSA-N	1	0	362.433	1.997	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)[C@@H]2C1	ZINC000892712989	790493916	/nfs/dbraw/zinc/49/39/16/790493916.db2.gz	RRWSYHDREKKPRF-DOTOQJQBSA-N	1	0	354.458	1.268	20	30		FDEDRO
C#CCC1([NH2+]C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CCC1	ZINC000933299049	777015067	/nfs/dbraw/zinc/01/50/67/777015067.db2.gz	MLSBVWZVGBVZPZ-IBGZPJMESA-N	1	0	357.498	1.714	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)CCC1	ZINC000933300324	777043974	/nfs/dbraw/zinc/04/39/74/777043974.db2.gz	YFXDXHJXGAAZBW-UHFFFAOYSA-N	1	0	358.394	1.734	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]3C2)nc1	ZINC001022019246	777140943	/nfs/dbraw/zinc/14/09/43/777140943.db2.gz	NKRAQDZVKCXWDC-CGTJXYLNSA-N	1	0	354.454	1.076	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCC(C)(F)F)C[C@H]1C	ZINC001104361433	777317226	/nfs/dbraw/zinc/31/72/26/777317226.db2.gz	HDIHYIZABLTGBN-RBSFLKMASA-N	1	0	357.445	1.634	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)Cn2ccc(C)cc2=O)C[C@H]1C	ZINC001104741563	790536708	/nfs/dbraw/zinc/53/67/08/790536708.db2.gz	VCOHOUWADWGAGX-GDBMZVCRSA-N	1	0	351.878	1.983	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@H](CC)C(N)=O)C2)cc1	ZINC001112506095	777475650	/nfs/dbraw/zinc/47/56/50/777475650.db2.gz	ZFDOYGSZOCARAO-UEXGIBASSA-N	1	0	353.466	1.764	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnc3ccc(OC)nn32)C[C@H]1C	ZINC001104364834	777744874	/nfs/dbraw/zinc/74/48/74/777744874.db2.gz	HSUWSCKCOXTPMB-HUUCEWRRSA-N	1	0	355.442	1.449	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cccnc2)C[C@H]1c1ccccc1	ZINC001211517367	777754983	/nfs/dbraw/zinc/75/49/83/777754983.db2.gz	VGTRFXQDCIWATL-RBUKOAKNSA-N	1	0	362.433	1.029	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2nsc(N(C)C)n2)C1	ZINC001022098782	777902976	/nfs/dbraw/zinc/90/29/76/777902976.db2.gz	AAKAVEKEXMBQJQ-RQJABVFESA-N	1	0	365.503	1.322	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1	ZINC001022099872	777919026	/nfs/dbraw/zinc/91/90/26/777919026.db2.gz	SBUPQEMHTWQBKK-XDNAFOTISA-N	1	0	357.454	1.504	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncnn2C(C)(C)C)C1	ZINC001022099414	777927111	/nfs/dbraw/zinc/92/71/11/777927111.db2.gz	KPWFIKGSLIAXQN-QXSJWSMHSA-N	1	0	361.490	1.751	20	30		FDEDRO
COc1ccc(C[C@@](C)(CO)[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)cc1	ZINC000933424980	778101375	/nfs/dbraw/zinc/10/13/75/778101375.db2.gz	VZBOOTXMIAIEBR-NQIIRXRSSA-N	1	0	370.449	1.890	20	30		FDEDRO
CC(C)(C#N)C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC001143398338	778265831	/nfs/dbraw/zinc/26/58/31/778265831.db2.gz	JUTUFNMNWYIYJS-IKGGRYGDSA-N	1	0	356.474	1.529	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)C2CCC(C(N)=O)CC2)C[C@H]1C	ZINC001104374458	778562331	/nfs/dbraw/zinc/56/23/31/778562331.db2.gz	UQAIMXYFEQRNPE-AQEOSJORSA-N	1	0	365.518	1.555	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1	ZINC001104376879	778696062	/nfs/dbraw/zinc/69/60/62/778696062.db2.gz	XOGWBZSRTKYONF-ATZDWAIDSA-N	1	0	368.481	1.659	20	30		FDEDRO
C[C@@H]1CCN(C(=O)Cn2nccn2)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087170963	779141041	/nfs/dbraw/zinc/14/10/41/779141041.db2.gz	NGXJHKQYISUURM-QAPCUYQASA-N	1	0	352.442	1.567	20	30		FDEDRO
C[C@]12C[NH2+]C[C@H]1CN(C(=O)NC1CCC(Oc3ccc(C#N)cn3)CC1)C2	ZINC000891739597	779224140	/nfs/dbraw/zinc/22/41/40/779224140.db2.gz	JJRRBYOJZXRMOB-MVBPIPQGSA-N	1	0	369.469	1.894	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3[NH2+]CCCC3(C)C)cc2C1=O	ZINC000430724191	779350848	/nfs/dbraw/zinc/35/08/48/779350848.db2.gz	QHEOFSNQZVUVIH-INIZCTEOSA-N	1	0	355.438	1.977	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(N4CCCC4)nc3)[C@H]2C1	ZINC001083225827	779437293	/nfs/dbraw/zinc/43/72/93/779437293.db2.gz	PYQHTCFBUJFRFH-ZWKOTPCHSA-N	1	0	356.470	1.783	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnn4cccc(OC)c34)[C@H]2C1	ZINC001083225842	779438854	/nfs/dbraw/zinc/43/88/54/779438854.db2.gz	QSLPOXRJVJGFRU-FUHWJXTLSA-N	1	0	370.453	1.834	20	30		FDEDRO
C[C@H](NC(=O)C1CCCC1)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000328958823	779548069	/nfs/dbraw/zinc/54/80/69/779548069.db2.gz	OQNZIJCXPGFPOZ-HNNXBMFYSA-N	1	0	364.490	1.288	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)o2)C[C@H]1C	ZINC001104384675	779711667	/nfs/dbraw/zinc/71/16/67/779711667.db2.gz	DIUSLJSZRZMBGW-ZIAGYGMSSA-N	1	0	369.487	1.581	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1	ZINC000426155453	779804610	/nfs/dbraw/zinc/80/46/10/779804610.db2.gz	XQKHSHBWMJYYKU-STQMWFEESA-N	1	0	374.407	1.718	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2ccsn2)C1=O	ZINC001087180139	779878724	/nfs/dbraw/zinc/87/87/24/779878724.db2.gz	OBOVKIDNGRCVOS-QLFBSQMISA-N	1	0	362.499	1.760	20	30		FDEDRO
C[NH+]=C(NCc1cc(OC)c(OC)c(OC)c1)N1CC[C@@]2(CCOC2)C1	ZINC000261981385	779970524	/nfs/dbraw/zinc/97/05/24/779970524.db2.gz	OYAOWXBARHFBAK-LJQANCHMSA-N	1	0	363.458	1.900	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1	ZINC000971851386	779987119	/nfs/dbraw/zinc/98/71/19/779987119.db2.gz	OSHZCJNIZXPBFK-FHLIZLRMSA-N	1	0	369.469	1.432	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1c1ccccc1	ZINC001211526772	780083578	/nfs/dbraw/zinc/08/35/78/780083578.db2.gz	VDRBKJJMCVRHFF-RBUKOAKNSA-N	1	0	354.454	1.821	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cccn3nccc23)C[C@H]1C	ZINC001104385389	780122877	/nfs/dbraw/zinc/12/28/77/780122877.db2.gz	SSMIVPLPYQBTEZ-HZPDHXFCSA-N	1	0	369.469	1.324	20	30		FDEDRO
C[NH+]1CCN(C[C@H](NC(=O)N2CCO[C@](C)(C#N)C2)c2ccccc2)CC1	ZINC000892720682	790776337	/nfs/dbraw/zinc/77/63/37/790776337.db2.gz	FAFGHCDXXKQTSL-AZUAARDMSA-N	1	0	371.485	1.299	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)NCc1cnc2n1CCOC2)C(C)C	ZINC000891940315	780319429	/nfs/dbraw/zinc/31/94/29/780319429.db2.gz	NPKVZSGGJXLLTL-QGZVFWFLSA-N	1	0	361.490	1.911	20	30		FDEDRO
Cn1nccc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC001022471826	780489142	/nfs/dbraw/zinc/48/91/42/780489142.db2.gz	SEMRLPYQNDQCHK-YYIAUSFCSA-N	1	0	367.428	1.971	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2O)CC1	ZINC001025489564	790801888	/nfs/dbraw/zinc/80/18/88/790801888.db2.gz	PEZSYUDYNOAAPK-QZTJIDSGSA-N	1	0	363.502	1.153	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)c(F)c1	ZINC001022475746	780547224	/nfs/dbraw/zinc/54/72/24/780547224.db2.gz	ITFOUFIAMSVWFD-YUAHOQAQSA-N	1	0	373.428	1.486	20	30		FDEDRO
C[N@@H+]1CCC[C@H](CCNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000458171432	780549898	/nfs/dbraw/zinc/54/98/98/780549898.db2.gz	PXGVVNFZOARNEZ-CQSZACIVSA-N	1	0	352.442	1.788	20	30		FDEDRO
C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ncnn1C	ZINC000276985904	780586574	/nfs/dbraw/zinc/58/65/74/780586574.db2.gz	VLCJBUAUOPCWFX-OAHLLOKOSA-N	1	0	367.457	1.665	20	30		FDEDRO
CCC1([NH+]2CCC2)CCN(C(=O)C(=O)Nc2ccc(C#N)c(C)n2)CC1	ZINC000891968162	780890163	/nfs/dbraw/zinc/89/01/63/780890163.db2.gz	GTVAHDLWFSQVQM-UHFFFAOYSA-N	1	0	355.442	1.677	20	30		FDEDRO
C[N@H+](CCNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CC1	ZINC000277260016	781231641	/nfs/dbraw/zinc/23/16/41/781231641.db2.gz	QOXJYKDDBGQGJU-KRWDZBQOSA-N	1	0	355.442	1.053	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4CCC)[C@@H]3C2)CC1	ZINC001022626668	781627288	/nfs/dbraw/zinc/62/72/88/781627288.db2.gz	CMNJGIBLVUKJHD-IYWMVGAKSA-N	1	0	371.525	1.827	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2CCC3(CC3)CC2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104425425	783372992	/nfs/dbraw/zinc/37/29/92/783372992.db2.gz	HTNCCBKUWGFXSV-NVXWUHKLSA-N	1	0	360.502	1.671	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2(COC)CCC2)C[C@H]1C	ZINC001104425537	783382889	/nfs/dbraw/zinc/38/28/89/783382889.db2.gz	MPOHBFPAPXKWCE-HZPDHXFCSA-N	1	0	351.491	1.180	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C	ZINC000892284441	783384303	/nfs/dbraw/zinc/38/43/03/783384303.db2.gz	XYCVUZGEHZNPDX-OAHLLOKOSA-N	1	0	363.421	1.938	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C(N)=O)cc2)C1	ZINC000972373578	783534071	/nfs/dbraw/zinc/53/40/71/783534071.db2.gz	NFGTVEUHWQUQHV-KURKYZTESA-N	1	0	357.454	1.409	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)COc3ccccc3OCC)[C@H]2C1	ZINC001083265169	783564779	/nfs/dbraw/zinc/56/47/79/783564779.db2.gz	LKUNCNDSSAETLE-QFBILLFUSA-N	1	0	360.454	1.952	20	30		FDEDRO
C=CCOCCC[NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1	ZINC000658209768	783760551	/nfs/dbraw/zinc/76/05/51/783760551.db2.gz	KDSYSXPLRPTDEO-UHFFFAOYSA-N	1	0	356.492	1.362	20	30		FDEDRO
C[NH+](C)CCNC(=O)C1CCN(C(=O)/C=C\c2ccccc2C#N)CC1	ZINC000255671167	783780633	/nfs/dbraw/zinc/78/06/33/783780633.db2.gz	WLSQHNITHALJOE-FPLPWBNLSA-N	1	0	354.454	1.488	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3ccc(C)n3C)C[C@H]21	ZINC000972834616	783901157	/nfs/dbraw/zinc/90/11/57/783901157.db2.gz	BWBJOKQAZYSRMI-NZSAHSFTSA-N	1	0	368.481	1.104	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C3C(C)(C)C3(C)C)C[C@H]21	ZINC000972834930	783901640	/nfs/dbraw/zinc/90/16/40/783901640.db2.gz	JGABEVYZJPEEHR-IXDOHACOSA-N	1	0	371.525	1.826	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3cnccc3C)C[C@H]21	ZINC000972834932	783902083	/nfs/dbraw/zinc/90/20/83/783902083.db2.gz	JJCJWYPLIKOHKP-NZSAHSFTSA-N	1	0	366.465	1.161	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C(C)=C3CCC3)C[C@H]21	ZINC000972835056	783902431	/nfs/dbraw/zinc/90/24/31/783902431.db2.gz	MDBOFXHPNALYHB-CEXWTWQISA-N	1	0	355.482	1.644	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1	ZINC000658457722	784078469	/nfs/dbraw/zinc/07/84/69/784078469.db2.gz	CDLPHLCSHVOONZ-UHFFFAOYSA-N	1	0	351.491	1.420	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ncnn2CCF)C1	ZINC001024164425	784153401	/nfs/dbraw/zinc/15/34/01/784153401.db2.gz	CBPJGJOLJYGGLY-OAGGEKHMSA-N	1	0	365.453	1.167	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)C1	ZINC000658698613	784898671	/nfs/dbraw/zinc/89/86/71/784898671.db2.gz	FGUYBPRVIYQEFU-HOTGVXAUSA-N	1	0	351.491	1.105	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc1	ZINC000364337392	784957383	/nfs/dbraw/zinc/95/73/83/784957383.db2.gz	NAGFODISOXGNND-DOTOQJQBSA-N	1	0	371.397	1.740	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnc3nccn3c2)C[C@H]1c1ccccc1	ZINC001211632677	785058613	/nfs/dbraw/zinc/05/86/13/785058613.db2.gz	GODGWJJXYDXFGD-RBUKOAKNSA-N	1	0	359.433	1.950	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCn1cncn1	ZINC001024701144	785779298	/nfs/dbraw/zinc/77/92/98/785779298.db2.gz	LBGSWHDGGYBCPD-SQNIBIBYSA-N	1	0	361.490	1.620	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1c1ccccc1	ZINC001211636821	785995134	/nfs/dbraw/zinc/99/51/34/785995134.db2.gz	ABISPTBFMWRBBV-DLBZAZTESA-N	1	0	350.422	1.001	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)CCc3nc(C(C)(C)C)no3)[C@H]2C1	ZINC001083273074	786595235	/nfs/dbraw/zinc/59/52/35/786595235.db2.gz	XFUJVVANMHENGV-LSDHHAIUSA-N	1	0	362.474	1.787	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1	ZINC001024862717	786642942	/nfs/dbraw/zinc/64/29/42/786642942.db2.gz	YAXVKZTVMWEPAQ-HZPDHXFCSA-N	1	0	356.426	1.238	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCNC(=O)C2CC2)C3)cn1	ZINC001111944904	786656070	/nfs/dbraw/zinc/65/60/70/786656070.db2.gz	ZEQJSIMZPYKTCK-UWJYYQICSA-N	1	0	366.465	1.173	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])cc1	ZINC000659096970	786770628	/nfs/dbraw/zinc/77/06/28/786770628.db2.gz	NABHCGNQRIPQMA-UHFFFAOYSA-N	1	0	372.469	1.635	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)NC[C@H]2CCC[N@@H+]2CCc2ccccc2)n1	ZINC000376334788	787331383	/nfs/dbraw/zinc/33/13/83/787331383.db2.gz	SDAZPTZDGKFWMC-QGZVFWFLSA-N	1	0	367.457	1.156	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cccc(F)c4)[C@@H]3C2)C1=O	ZINC001075511777	787401270	/nfs/dbraw/zinc/40/12/70/787401270.db2.gz	WMTFHDYXRDSSPG-RYQLBKOJSA-N	1	0	357.429	1.759	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000278803329	787579175	/nfs/dbraw/zinc/57/91/75/787579175.db2.gz	ANIAGWLNVRPXFG-DOMZBBRYSA-N	1	0	357.458	1.652	20	30		FDEDRO
CCn1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC#CCOC)C2)n1	ZINC001211684268	805817567	/nfs/dbraw/zinc/81/75/67/805817567.db2.gz	POMUALYIRRYQHJ-AZUAARDMSA-N	1	0	366.465	1.751	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1cnnn1CC	ZINC001025112163	787976049	/nfs/dbraw/zinc/97/60/49/787976049.db2.gz	VIEQNVWGPWVVSB-SZMVWBNQSA-N	1	0	361.490	1.750	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000978874537	805870824	/nfs/dbraw/zinc/87/08/24/805870824.db2.gz	LEDCZUHHZQGXTF-PNVOZDDCSA-N	1	0	363.502	1.319	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1	ZINC000973312212	788548189	/nfs/dbraw/zinc/54/81/89/788548189.db2.gz	SDTGEHAWFSLMMC-ATIWLJMLSA-N	1	0	361.486	1.073	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1	ZINC000973319640	788569311	/nfs/dbraw/zinc/56/93/11/788569311.db2.gz	PPGCMXQQGSNICN-ATIWLJMLSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CCc2ccc(=O)[nH]c2)C[C@H]1C	ZINC001104582398	788731982	/nfs/dbraw/zinc/73/19/82/788731982.db2.gz	ZIZWSMJKIRKRFF-SJLPKXTDSA-N	1	0	361.486	1.997	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCCS2(=O)=O)C1	ZINC001104607148	788849076	/nfs/dbraw/zinc/84/90/76/788849076.db2.gz	MJSWFDHGOCZIMY-IAGOWNOFSA-N	1	0	371.547	1.452	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnco2)C[C@H]1c1ccccc1	ZINC001211645112	788857479	/nfs/dbraw/zinc/85/74/79/788857479.db2.gz	QVVQHHGTNYCCLP-JKSUJKDBSA-N	1	0	354.410	1.175	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnco2)C[C@H]1c1ccccc1	ZINC001211645291	788863544	/nfs/dbraw/zinc/86/35/44/788863544.db2.gz	XOSJXXPXMMLQOM-HYVNUMGLSA-N	1	0	366.421	1.010	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2cccc(C)c2)C[C@H]1C	ZINC001104614881	788905007	/nfs/dbraw/zinc/90/50/07/788905007.db2.gz	WCMNXLNMMFOFFJ-WSTZPKSXSA-N	1	0	369.509	1.750	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]C[C@@H](O)Cn3cccn3)C2)C1	ZINC001104657339	789196304	/nfs/dbraw/zinc/19/63/04/789196304.db2.gz	YPUBFOOSQZMFJY-KZNAEPCWSA-N	1	0	360.502	1.675	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](C)c3nncn3C)C2)c1	ZINC001104659816	789209858	/nfs/dbraw/zinc/20/98/58/789209858.db2.gz	VDPMMHSLJSEJRE-BFYDXBDKSA-N	1	0	366.469	1.640	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nncn3C)C2)c1	ZINC001104659866	789209877	/nfs/dbraw/zinc/20/98/77/789209877.db2.gz	XSKYSUWNUARBFE-GDBMZVCRSA-N	1	0	352.442	1.079	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1C	ZINC001104673173	789271296	/nfs/dbraw/zinc/27/12/96/789271296.db2.gz	UJMPOGIZBGFOEU-WCXIOVBPSA-N	1	0	351.491	1.273	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)c2ccsc2)C[C@H]1C	ZINC001104669497	789277025	/nfs/dbraw/zinc/27/70/25/789277025.db2.gz	HKEFWODMFDLANV-OWCLPIDISA-N	1	0	361.511	1.675	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)CCC3CCN(C(C)=O)CC3)[C@H]2C1	ZINC001083281059	789330943	/nfs/dbraw/zinc/33/09/43/789330943.db2.gz	SKDCTWNIFUKNJU-RBUKOAKNSA-N	1	0	363.502	1.513	20	30		FDEDRO
CSc1nc(-c2ccc(C)cc2)c(C#N)c(-n2nnc(CC[NH3+])n2)n1	ZINC001167788019	805969898	/nfs/dbraw/zinc/96/98/98/805969898.db2.gz	MAMOTWGJDDGNFP-UHFFFAOYSA-N	1	0	352.427	1.523	20	30		FDEDRO
CCc1ccc(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C2)nc1	ZINC001104702951	789524192	/nfs/dbraw/zinc/52/41/92/789524192.db2.gz	KPNKMDZSIPWEOI-IEBWSBKVSA-N	1	0	357.498	1.911	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)c2cccnc2)C[C@H]1C	ZINC001104709483	789567362	/nfs/dbraw/zinc/56/73/62/789567362.db2.gz	HMDKUVWQDPBHTA-CZUORRHYSA-N	1	0	364.877	1.638	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)c2cccnc2)C[C@H]1C	ZINC001104709628	789567989	/nfs/dbraw/zinc/56/79/89/789567989.db2.gz	JPGWUYDEYAZCQM-SJLPKXTDSA-N	1	0	358.486	1.852	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccncc2Cl)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104717795	789679682	/nfs/dbraw/zinc/67/96/82/789679682.db2.gz	UNICDPQMBLHQKV-CHWSQXEVSA-N	1	0	363.849	1.063	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1C	ZINC001104719126	789707256	/nfs/dbraw/zinc/70/72/56/789707256.db2.gz	WARZKXZSBSRZEV-SJLPKXTDSA-N	1	0	371.485	1.365	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1	ZINC000979048815	806015042	/nfs/dbraw/zinc/01/50/42/806015042.db2.gz	YLCNZKHXXCXNPB-TWMKSMIVSA-N	1	0	361.486	1.074	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC[C@@H]2CCCCO2)C[C@H]1C	ZINC001104744300	791185287	/nfs/dbraw/zinc/18/52/87/791185287.db2.gz	GBTFXMYYPIWODG-KURKYZTESA-N	1	0	363.502	1.159	20	30		FDEDRO
C=C1CCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC1	ZINC000892797320	791256151	/nfs/dbraw/zinc/25/61/51/791256151.db2.gz	QOLUJISLTNCJGC-UHFFFAOYSA-N	1	0	358.490	1.740	20	30		FDEDRO
C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCCn2cnc(C#N)n2)C1	ZINC000377219186	791296212	/nfs/dbraw/zinc/29/62/12/791296212.db2.gz	ATSQPZYHKJSALN-INIZCTEOSA-N	1	0	353.430	1.066	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(N2CCN(C)CC2=O)CC1	ZINC000377260643	791390832	/nfs/dbraw/zinc/39/08/32/791390832.db2.gz	DYQIILTZZRGHSL-OAHLLOKOSA-N	1	0	370.453	1.091	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4c(C)nn(C)c4n3)[C@H]2C1	ZINC001083284589	791604672	/nfs/dbraw/zinc/60/46/72/791604672.db2.gz	DEBXIXGIAIRZOV-DLBZAZTESA-N	1	0	355.442	1.378	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCCCS(N)(=O)=O)C1	ZINC001112031452	791932481	/nfs/dbraw/zinc/93/24/81/791932481.db2.gz	LFNGZVMQRRJUJB-WMZOPIPTSA-N	1	0	371.547	1.772	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC[NH2+]CC2)ccc1OCC(F)(F)F	ZINC000415330449	791945967	/nfs/dbraw/zinc/94/59/67/791945967.db2.gz	ZBIOTSBOVOZJOD-UHFFFAOYSA-N	1	0	370.331	1.260	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)ccc1OCC(F)(F)F	ZINC000415357457	792043162	/nfs/dbraw/zinc/04/31/62/792043162.db2.gz	RXJBAPYDBWVRTK-JTQLQIEISA-N	1	0	370.331	1.245	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N(CCC)[C@@H]2CC[NH2+]C2)cc1	ZINC000415387369	792172400	/nfs/dbraw/zinc/17/24/00/792172400.db2.gz	CXDWRSCVBLJCPZ-MRXNPFEDSA-N	1	0	358.442	1.141	20	30		FDEDRO
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)c1C	ZINC000415435928	792267668	/nfs/dbraw/zinc/26/76/68/792267668.db2.gz	NUSRWAINEHWVDH-GFCCVEGCSA-N	1	0	366.425	1.120	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1C#N	ZINC000415451323	792286233	/nfs/dbraw/zinc/28/62/33/792286233.db2.gz	SJEXKUZPXJZHIP-KBPBESRZSA-N	1	0	358.442	1.870	20	30		FDEDRO
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCN(C)CC[N@H+](C)CC2)c1	ZINC000892976186	792290663	/nfs/dbraw/zinc/29/06/63/792290663.db2.gz	BGCZAMALVNYRIA-SFHVURJKSA-N	1	0	373.501	1.756	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N[C@H](C[NH3+])C3CCCC3)n2)c(F)c1	ZINC000415470020	792322239	/nfs/dbraw/zinc/32/22/39/792322239.db2.gz	YHWDPNJPIVYSLW-OAHLLOKOSA-N	1	0	356.405	2.522	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1C(F)(F)F	ZINC000415484205	792340491	/nfs/dbraw/zinc/34/04/91/792340491.db2.gz	NKFDHZZXVWDTET-YPMHNXCESA-N	1	0	366.343	1.868	20	30		FDEDRO
CN(Cc1cnc2ccc(C#N)cn12)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000377626209	792340630	/nfs/dbraw/zinc/34/06/30/792340630.db2.gz	MADJTTOEOLAIJQ-SFHVURJKSA-N	1	0	352.486	1.806	20	30		FDEDRO
C[C@@H]1CN(Cc2cnc3ccc(C#N)cn23)CCN1C1CC[NH+](C)CC1	ZINC000377633591	792367198	/nfs/dbraw/zinc/36/71/98/792367198.db2.gz	VOANRCCRNQGZQC-MRXNPFEDSA-N	1	0	352.486	1.806	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO	ZINC000893000884	792412792	/nfs/dbraw/zinc/41/27/92/792412792.db2.gz	JSOYLRLBRFHHKY-ROUUACIJSA-N	1	0	357.454	1.439	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)ccc1OCC(F)(F)F	ZINC000415540365	792476707	/nfs/dbraw/zinc/47/67/07/792476707.db2.gz	OKRKWQXWYNPLIX-GFCCVEGCSA-N	1	0	370.331	1.291	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000893024801	792502672	/nfs/dbraw/zinc/50/26/72/792502672.db2.gz	VZXWQTURZFFYMD-OAHLLOKOSA-N	1	0	361.515	1.930	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC000979279848	806163222	/nfs/dbraw/zinc/16/32/22/806163222.db2.gz	XDGNWMVHWWHFRH-LFVTVUPYSA-N	1	0	354.454	1.028	20	30		FDEDRO
C[C@@H](CC1CCCC1)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104749779	792824413	/nfs/dbraw/zinc/82/44/13/792824413.db2.gz	IGXODKHOXZPXGK-LZLYRXPVSA-N	1	0	362.518	1.917	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)CCc3c(C)noc3Cl)[C@H]2C1	ZINC001083288515	792875620	/nfs/dbraw/zinc/87/56/20/792875620.db2.gz	KMEFCUOUCIXSMJ-LSDHHAIUSA-N	1	0	351.834	1.504	20	30		FDEDRO
C[C@H]1[C@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000415743898	792913972	/nfs/dbraw/zinc/91/39/72/792913972.db2.gz	MFDCAGNCYMXUHA-JOYOIKCWSA-N	1	0	370.331	1.386	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1	ZINC000415747046	792919835	/nfs/dbraw/zinc/91/98/35/792919835.db2.gz	OJECQKKFEVLRBL-CABCVRRESA-N	1	0	356.426	1.376	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)NCCC[C@@H]2CCC[NH2+]2)cc1C#N	ZINC000415804287	793024329	/nfs/dbraw/zinc/02/43/29/793024329.db2.gz	LGTVQNREIGJXCK-HNNXBMFYSA-N	1	0	358.442	1.932	20	30		FDEDRO
O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21	ZINC000415818450	793063677	/nfs/dbraw/zinc/06/36/77/793063677.db2.gz	UHUNSSLZNJYJQK-QUCCMNQESA-N	1	0	359.429	1.845	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H]2OCC(=O)N(CC)[C@@H]2c2ccccc2)CC1	ZINC000377927843	793122827	/nfs/dbraw/zinc/12/28/27/793122827.db2.gz	WIGNFMDBATWXNE-UXHICEINSA-N	1	0	371.481	1.742	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1	ZINC000415899056	793343652	/nfs/dbraw/zinc/34/36/52/793343652.db2.gz	ULYLUKOIZXYPSX-HUUCEWRRSA-N	1	0	356.426	1.352	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCOCC)C1	ZINC001104757978	793483573	/nfs/dbraw/zinc/48/35/73/793483573.db2.gz	WZMKSVJLWFZSHR-BHIYHBOVSA-N	1	0	367.534	1.958	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC3CCOCC3)C2)nn1	ZINC001104769213	793555463	/nfs/dbraw/zinc/55/54/63/793555463.db2.gz	JWKFZXDMPPUNEN-NVXWUHKLSA-N	1	0	361.490	1.579	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)nn2)C[C@H]1C	ZINC001104791373	793689525	/nfs/dbraw/zinc/68/95/25/793689525.db2.gz	WKBQSOYGBZITOI-HZPDHXFCSA-N	1	0	354.458	1.926	20	30		FDEDRO
CCN(CCC#N)C(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1	ZINC000783090921	793713679	/nfs/dbraw/zinc/71/36/79/793713679.db2.gz	NZPVGSOUEVWFQQ-UHFFFAOYSA-N	1	0	357.458	1.529	20	30		FDEDRO
CCOC(=O)C(C)N=Nc1cc(-n2ccc(CC[NH3+])n2)ccc1[N+](=O)[O-]	ZINC001167732249	793781221	/nfs/dbraw/zinc/78/12/21/793781221.db2.gz	UBPWTILASLTYIM-WQRHYEAKSA-N	1	0	360.374	1.633	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cnon2)C[C@H]1C	ZINC001104817863	793893123	/nfs/dbraw/zinc/89/31/23/793893123.db2.gz	AFPOKKKIWIYCII-HUUCEWRRSA-N	1	0	363.462	1.182	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2NC(=O)c3ccccc32)C[C@H]1C	ZINC001104820677	793897017	/nfs/dbraw/zinc/89/70/17/793897017.db2.gz	HWFRAQFOMDXGJP-MDZRGWNJSA-N	1	0	353.466	1.959	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2snnc2C(C)C)C[C@H]1C	ZINC001104825039	793931540	/nfs/dbraw/zinc/93/15/40/793931540.db2.gz	VKTNXKRFXKXJJE-HUUCEWRRSA-N	1	0	364.515	1.999	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1CC[NH2+]Cc1ccccc1C#N	ZINC001104832849	793957351	/nfs/dbraw/zinc/95/73/51/793957351.db2.gz	XLLMDGIKUGPMKC-CRAIPNDOSA-N	1	0	367.457	1.209	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2COCCN2C)C1	ZINC001087425744	806298855	/nfs/dbraw/zinc/29/88/55/806298855.db2.gz	QEKOJTWPJDYYDE-VAMGGRTRSA-N	1	0	355.482	1.315	20	30		FDEDRO
N#C[C@]1(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CCc2ccccc2C1	ZINC000378454195	794170564	/nfs/dbraw/zinc/17/05/64/794170564.db2.gz	XXSNEYISBUXBAF-UTKZUKDTSA-N	1	0	353.466	1.866	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C	ZINC001104878969	794186472	/nfs/dbraw/zinc/18/64/72/794186472.db2.gz	YRJWQHMQIZKFPR-BZUAXINKSA-N	1	0	364.490	1.357	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@](C)(NC(C)=O)C2CC2)C[C@H]1C	ZINC001104897002	794281023	/nfs/dbraw/zinc/28/10/23/794281023.db2.gz	ZFCZOULCSLDGHK-WRWLIDTKSA-N	1	0	363.502	1.015	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccoc2CCC)C[C@H]1C	ZINC001104901342	794306187	/nfs/dbraw/zinc/30/61/87/794306187.db2.gz	BFWILDPZNYBWFH-HZPDHXFCSA-N	1	0	359.470	1.669	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3n[nH]cc3C2)C[C@H]1C	ZINC001104905132	794323436	/nfs/dbraw/zinc/32/34/36/794323436.db2.gz	YXKOZUNHKOLFHB-IXDOHACOSA-N	1	0	360.502	1.791	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@@H](C)c2ccco2)C[C@H]1C	ZINC001104916911	794366704	/nfs/dbraw/zinc/36/67/04/794366704.db2.gz	KIAXSWKKPQNNQN-BRWVUGGUSA-N	1	0	359.470	1.597	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC=C)C2)cn1	ZINC001104927826	794436471	/nfs/dbraw/zinc/43/64/71/794436471.db2.gz	WSAZKAZHJLCBCT-NVXWUHKLSA-N	1	0	354.454	1.053	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCc2ccccc2)C[C@H]1C	ZINC001104943110	794502842	/nfs/dbraw/zinc/50/28/42/794502842.db2.gz	DVGJDEPXTCTJAY-IEBWSBKVSA-N	1	0	357.498	1.996	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3nnn(C)c3c2)C[C@H]1C	ZINC001104957435	794559619	/nfs/dbraw/zinc/55/96/19/794559619.db2.gz	IAIMZRQMAKACGR-NVXWUHKLSA-N	1	0	371.485	1.859	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](OC)C2CCCC2)C[C@H]1C	ZINC001104958451	794584003	/nfs/dbraw/zinc/58/40/03/794584003.db2.gz	WNCOJGYPUQPQRA-SZVBFZGTSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](CC)C(N)=O)C2)CCOCC1	ZINC001104959582	794593745	/nfs/dbraw/zinc/59/37/45/794593745.db2.gz	HVAICBCZSLXYIA-ZACQAIPSSA-N	1	0	365.518	1.697	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]C[C@@H](O)COC)C2)CCOCC1	ZINC001104959523	794593763	/nfs/dbraw/zinc/59/37/63/794593763.db2.gz	FNZCBDWBZZCLCB-KZNAEPCWSA-N	1	0	368.518	1.441	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2[nH]cnc2CC)C[C@H]1C	ZINC001104963966	794598572	/nfs/dbraw/zinc/59/85/72/794598572.db2.gz	DZZGARAJBBZHBN-QLFBSQMISA-N	1	0	361.490	1.351	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H](O)COCC(C)C)C1	ZINC001112068002	794632727	/nfs/dbraw/zinc/63/27/27/794632727.db2.gz	DPUBXKWNLLWFBY-RBSFLKMASA-N	1	0	366.424	1.965	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)COc2ccccc2C)C[C@H]1C	ZINC001104972213	794666564	/nfs/dbraw/zinc/66/65/64/794666564.db2.gz	PZQYKBKQWXJHFT-QZTJIDSGSA-N	1	0	371.481	1.197	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2cccc(OC)c2)C[C@H]1C	ZINC001104975051	794689350	/nfs/dbraw/zinc/68/93/50/794689350.db2.gz	RFYSVUJTILOZAG-SJLPKXTDSA-N	1	0	371.481	1.061	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CN(C)c3ccc(C#N)nn3)C2)CC[N@@H+]1C	ZINC001058708212	794746277	/nfs/dbraw/zinc/74/62/77/794746277.db2.gz	FNFCLAOYIWQRPK-HLLBOEOZSA-N	1	0	356.474	1.363	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CC(OCC)C2)C1	ZINC001112069948	794755225	/nfs/dbraw/zinc/75/52/25/794755225.db2.gz	URCUWBVJTMGBCJ-NEXFUWMNSA-N	1	0	364.408	1.983	20	30		FDEDRO
CC1=CC[C@@](C)(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)CC1	ZINC001105045591	795047796	/nfs/dbraw/zinc/04/77/96/795047796.db2.gz	XOJIERQKRUTFDA-MBOZVWFJSA-N	1	0	360.502	1.837	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCCn2cccc2)C[C@H]1C	ZINC001105048663	795061896	/nfs/dbraw/zinc/06/18/96/795061896.db2.gz	ALQNFFXEZBPMDW-QZTJIDSGSA-N	1	0	358.486	1.092	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(C)(C)C)C1	ZINC001105090163	795233568	/nfs/dbraw/zinc/23/35/68/795233568.db2.gz	LTYHPNQGNARVPZ-OWCLPIDISA-N	1	0	353.507	1.566	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N[C@@H](C)CCC)C1	ZINC001105090164	795233595	/nfs/dbraw/zinc/23/35/95/795233595.db2.gz	LUSPDGQTRBURKA-FGTMMUONSA-N	1	0	367.534	1.958	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ncnn2CCC)C1	ZINC001105090434	795235085	/nfs/dbraw/zinc/23/50/85/795235085.db2.gz	VIZCSSHKTVVPHR-IXDOHACOSA-N	1	0	363.506	1.853	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cc(OC)no2)C1	ZINC001105090724	795236957	/nfs/dbraw/zinc/23/69/57/795236957.db2.gz	HXPYSKXBSFMMOS-RBSFLKMASA-N	1	0	351.447	1.849	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)Nc2ccon2)C1	ZINC001105090974	795238099	/nfs/dbraw/zinc/23/80/99/795238099.db2.gz	OSKUODWOEVNEGT-RBSFLKMASA-N	1	0	364.446	1.278	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1CC[NH2+]CC#Cc1ccccc1	ZINC001105100165	795280908	/nfs/dbraw/zinc/28/09/08/795280908.db2.gz	DQHVEVXGAADGJL-IEBWSBKVSA-N	1	0	355.482	1.768	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2COc3ccccc32)C[C@H]1C	ZINC001105107923	795310513	/nfs/dbraw/zinc/31/05/13/795310513.db2.gz	BKTVANGCGJWBTK-NUJGCVRESA-N	1	0	371.481	1.539	20	30		FDEDRO
CN(C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1CC[NH2+]CC1	ZINC000418011809	795460509	/nfs/dbraw/zinc/46/05/09/795460509.db2.gz	RIRPDJOCCAASRL-KRWDZBQOSA-N	1	0	355.442	1.447	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC([NH2+]Cc2ccc(C(N)=O)cc2)CC1	ZINC001026563608	795556832	/nfs/dbraw/zinc/55/68/32/795556832.db2.gz	AIYAUMHTNHXDCF-GMNCBBECSA-N	1	0	371.481	1.894	20	30		FDEDRO
C=C(CNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)c1ccccc1	ZINC000418213290	795631045	/nfs/dbraw/zinc/63/10/45/795631045.db2.gz	VYCULYKOOQDLBR-SFHVURJKSA-N	1	0	356.470	1.553	20	30		FDEDRO
C[C@H](CC[NH3+])NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000418534921	796110872	/nfs/dbraw/zinc/11/08/72/796110872.db2.gz	YHGJJVWDOPQKAN-GFCCVEGCSA-N	1	0	358.402	1.375	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1	ZINC000979830216	806531097	/nfs/dbraw/zinc/53/10/97/806531097.db2.gz	QCCNEIVQYVCHPQ-TXTZMMAHSA-N	1	0	363.502	1.463	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1cncs1)C2	ZINC001112530399	806570906	/nfs/dbraw/zinc/57/09/06/806570906.db2.gz	SJSHXFWJXKLROI-LPHOPBHVSA-N	1	0	361.511	1.944	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1	ZINC000511971173	806762110	/nfs/dbraw/zinc/76/21/10/806762110.db2.gz	JGABOIHLNBOMOY-UHFFFAOYSA-N	1	0	354.454	1.650	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnc(C)s2)C1	ZINC001026849694	800016356	/nfs/dbraw/zinc/01/63/56/800016356.db2.gz	CEJRDMSENODZLG-ZNMIVQPWSA-N	1	0	350.488	1.766	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nn(C)cc2Cl)C1	ZINC001026850211	800020870	/nfs/dbraw/zinc/02/08/70/800020870.db2.gz	PHFBOPCDHMWTCY-VBQJREDUSA-N	1	0	366.893	1.993	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc3c([nH]c2=O)CCCC3)CC1	ZINC000651558878	800404638	/nfs/dbraw/zinc/40/46/38/800404638.db2.gz	FYWLUAMFTKQNJV-UHFFFAOYSA-N	1	0	372.469	1.761	20	30		FDEDRO
C=CC[C@]1(C(=O)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)CCC[NH2+]1	ZINC000662534329	806832472	/nfs/dbraw/zinc/83/24/72/806832472.db2.gz	KFYPNESADGPHKL-WIYYLYMNSA-N	1	0	371.481	1.910	20	30		FDEDRO
CC1CC[NH+](CC(=O)N2C[C@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@H]32)CC1	ZINC000974911627	800537757	/nfs/dbraw/zinc/53/77/57/800537757.db2.gz	MRDLUMPXPFFPHN-CRAIPNDOSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=CC[C@]1(C(=O)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)CCC[NH2+]1	ZINC000662566710	806846995	/nfs/dbraw/zinc/84/69/95/806846995.db2.gz	QDRBXPGGDGCKAE-KBXCAEBGSA-N	1	0	365.499	1.812	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000975189878	800974134	/nfs/dbraw/zinc/97/41/34/800974134.db2.gz	WXSUTFZFNSZROX-IJEWVQPXSA-N	1	0	357.458	1.195	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nncs2)C1	ZINC001027114237	800988193	/nfs/dbraw/zinc/98/81/93/800988193.db2.gz	UCUIFOPXGNNURS-YCPHGPKFSA-N	1	0	350.488	1.848	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000975225792	801023551	/nfs/dbraw/zinc/02/35/51/801023551.db2.gz	VWSDLXRMDCNLAK-IIAWOOMASA-N	1	0	357.458	1.195	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000975315341	801126713	/nfs/dbraw/zinc/12/67/13/801126713.db2.gz	DSVVTEFQQIRWJV-UWWQBHOKSA-N	1	0	371.485	1.585	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1occc1Cl)C2	ZINC001112524336	801410215	/nfs/dbraw/zinc/41/02/15/801410215.db2.gz	JCQIZZSYEJVFCF-UGSOOPFHSA-N	1	0	363.845	1.514	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1	ZINC000975553070	801492001	/nfs/dbraw/zinc/49/20/01/801492001.db2.gz	FFLOTSQYDSSWCC-NXHRZFHOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CCN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@@H]32)cc1	ZINC000975617230	801676163	/nfs/dbraw/zinc/67/61/63/801676163.db2.gz	QZRRODCWGYKMNI-IHPCNDPISA-N	1	0	365.477	1.825	20	30		FDEDRO
C=CCOCCCNC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000660820950	801720973	/nfs/dbraw/zinc/72/09/73/801720973.db2.gz	AHTXOJRDYMNLNS-IBGZPJMESA-N	1	0	360.502	1.867	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H]3CCN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@@H]32)c1	ZINC000975622444	801777486	/nfs/dbraw/zinc/77/74/86/801777486.db2.gz	FOVFVINIDCIMJX-WDSOQIARSA-N	1	0	366.465	1.220	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]21	ZINC000975668457	801895093	/nfs/dbraw/zinc/89/50/93/801895093.db2.gz	MPVJNERMAYKMEB-WBAXXEDZSA-N	1	0	369.469	1.434	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]32)C1	ZINC000975670502	801902616	/nfs/dbraw/zinc/90/26/16/801902616.db2.gz	KEGJEBXFMZOQOB-VKJFTORMSA-N	1	0	369.469	1.291	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)C1	ZINC000975695848	801997767	/nfs/dbraw/zinc/99/77/67/801997767.db2.gz	FBZCKINONYICTQ-UFYCRDLUSA-N	1	0	371.525	1.971	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1	ZINC000975701230	802064088	/nfs/dbraw/zinc/06/40/88/802064088.db2.gz	NFQUTNRFUWQZEC-OALUTQOASA-N	1	0	357.498	1.725	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)CCC[NH2+]1	ZINC000662682736	806961569	/nfs/dbraw/zinc/96/15/69/806961569.db2.gz	ORCITQLEQYANHV-XLIONFOSSA-N	1	0	362.518	1.230	20	30		FDEDRO
C=CC[C@]1(C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)CCC[NH2+]1	ZINC000662690989	806967723	/nfs/dbraw/zinc/96/77/23/806967723.db2.gz	FHCPXXQXIGSSOE-HXUWFJFHSA-N	1	0	356.470	1.711	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)c4cocn4)[C@H]3C2)CC1	ZINC000975755470	802270854	/nfs/dbraw/zinc/27/08/54/802270854.db2.gz	ZMVODJCSYHFGIK-YJBOKZPZSA-N	1	0	370.453	1.083	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@H]2C1	ZINC000975790478	802345329	/nfs/dbraw/zinc/34/53/29/802345329.db2.gz	YCUPZYMDGUZPEC-WBAXXEDZSA-N	1	0	369.469	1.434	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]21	ZINC000975830014	802505245	/nfs/dbraw/zinc/50/52/45/802505245.db2.gz	UOVAXZBETGNERX-ZQIUZPCESA-N	1	0	351.410	1.557	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CC[C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C1	ZINC000975854349	802603668	/nfs/dbraw/zinc/60/36/68/802603668.db2.gz	UYESOFSIKBMJPN-KSZLIROESA-N	1	0	359.514	1.990	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCCCN(C(C)C)S(C)(=O)=O	ZINC000661115997	802730300	/nfs/dbraw/zinc/73/03/00/802730300.db2.gz	GMQCDXLIBDUPOL-SJORKVTESA-N	1	0	373.563	1.887	20	30		FDEDRO
C=CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)C1	ZINC000661381917	803416168	/nfs/dbraw/zinc/41/61/68/803416168.db2.gz	QBBBQWBXUUNHEC-CQSZACIVSA-N	1	0	351.472	1.869	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21	ZINC000976581344	803553592	/nfs/dbraw/zinc/55/35/92/803553592.db2.gz	PZKXAAZBRHGQGM-APWQULEDSA-N	1	0	361.486	1.027	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1	ZINC000423086527	814958353	/nfs/dbraw/zinc/95/83/53/814958353.db2.gz	MADFKYKWAKXZCG-QZTJIDSGSA-N	1	0	354.454	1.365	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC[C@@H]([N@H+](C)Cc3cccc(C#N)c3)C2)C1	ZINC001027415075	803796938	/nfs/dbraw/zinc/79/69/38/803796938.db2.gz	DJODYCISMWZYJS-ATZDWAIDSA-N	1	0	368.481	1.896	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1	ZINC000423124498	814966779	/nfs/dbraw/zinc/96/67/79/814966779.db2.gz	MOTKNRVMJFOSRF-QZTJIDSGSA-N	1	0	354.454	1.365	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1	ZINC000976768047	803871078	/nfs/dbraw/zinc/87/10/78/803871078.db2.gz	VNKKLQKMCPGUKU-UTRMSSBJSA-N	1	0	368.481	1.560	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1C	ZINC000976787848	803915009	/nfs/dbraw/zinc/91/50/09/803915009.db2.gz	ABZCHIJRPGBPDQ-ZXXIGWHRSA-N	1	0	361.486	1.025	20	30		FDEDRO
CC[N@H+](CCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1CC1	ZINC000503910901	814979559	/nfs/dbraw/zinc/97/95/59/814979559.db2.gz	JHOPFZSGBCZLHT-GOSISDBHSA-N	1	0	369.469	1.837	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1	ZINC000423214723	815005059	/nfs/dbraw/zinc/00/50/59/815005059.db2.gz	MZQGCJHIDPMKPI-BBRMVZONSA-N	1	0	360.414	1.305	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c(OC)c1	ZINC000661610912	804287208	/nfs/dbraw/zinc/28/72/08/804287208.db2.gz	ULEQKNPMFPLDLW-RCCFBDPRSA-N	1	0	374.481	1.764	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1	ZINC000893474597	804306324	/nfs/dbraw/zinc/30/63/24/804306324.db2.gz	DRUSCDJEVSUMIB-YSVLISHTSA-N	1	0	361.467	1.466	20	30		FDEDRO
C=CCN(CC1CCCCC1)C(=O)C(=O)N1CCC(OCCC[NH3+])CC1	ZINC000423309808	815032733	/nfs/dbraw/zinc/03/27/33/815032733.db2.gz	MAWWAZJGMMIWLL-UHFFFAOYSA-N	1	0	365.518	1.938	20	30		FDEDRO
C=CC[N@@H+](CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)C(C)(C)C	ZINC000661755693	804819111	/nfs/dbraw/zinc/81/91/11/804819111.db2.gz	OPOMPQRUKLJOPK-UHFFFAOYSA-N	1	0	352.523	1.332	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC000977800583	804959540	/nfs/dbraw/zinc/95/95/40/804959540.db2.gz	QHDOYFAVOOUVLI-NSISKUIASA-N	1	0	367.493	1.610	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC)C2)c1	ZINC001112527115	805100992	/nfs/dbraw/zinc/10/09/92/805100992.db2.gz	ODFKKJSIDFCLQA-PXNSSMCTSA-N	1	0	354.454	1.031	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCc3ccnn3C)C[C@H]21	ZINC000978170457	805268347	/nfs/dbraw/zinc/26/83/47/805268347.db2.gz	WDKSIYVXRXPBNV-QQXKLLMISA-N	1	0	358.486	1.238	20	30		FDEDRO
CCN1CCO[C@@H](CNC(=O)Cc2noc(C)c2C#N)[C@@H]1c1ccccc1	ZINC000504185860	815097494	/nfs/dbraw/zinc/09/74/94/815097494.db2.gz	OQYQYJGKQRKCNI-ICSRJNTNSA-N	1	0	368.437	1.975	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)C[C@@]1(C)C[NH3+]	ZINC000423530606	815102587	/nfs/dbraw/zinc/10/25/87/815102587.db2.gz	RKWJASFQBKKPMP-LAVAIGHBSA-N	1	0	368.481	1.728	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1	ZINC000423532122	815104701	/nfs/dbraw/zinc/10/47/01/815104701.db2.gz	USGRHACKKQCQFJ-MKXGPGLRSA-N	1	0	366.465	1.353	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1	ZINC000423533041	815105389	/nfs/dbraw/zinc/10/53/89/815105389.db2.gz	WMFQWOZCLHZKHQ-JKEDJMADSA-N	1	0	366.465	1.480	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1	ZINC000423533040	815105558	/nfs/dbraw/zinc/10/55/58/815105558.db2.gz	WMFQWOZCLHZKHQ-APAFKAMOSA-N	1	0	366.465	1.480	20	30		FDEDRO
CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1	ZINC000423563539	815120132	/nfs/dbraw/zinc/12/01/32/815120132.db2.gz	ROXCIOYJBRFHKZ-MSOLQXFVSA-N	1	0	372.469	1.290	20	30		FDEDRO
C=CCN(C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H](C)COC	ZINC000663588258	807781904	/nfs/dbraw/zinc/78/19/04/807781904.db2.gz	IAQBEXWKXSAODU-INIZCTEOSA-N	1	0	361.490	1.566	20	30		FDEDRO
CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1	ZINC000423619656	815163072	/nfs/dbraw/zinc/16/30/72/815163072.db2.gz	INRFVISHAKTLKG-SQNIBIBYSA-N	1	0	356.470	1.584	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3[nH]cnc3C)C2)CC1	ZINC000981544293	808114827	/nfs/dbraw/zinc/11/48/27/808114827.db2.gz	HHZKRJMHPSQZOB-DOTOQJQBSA-N	1	0	371.485	1.078	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)C(C)(F)F)C2)CC1	ZINC000981544697	808114922	/nfs/dbraw/zinc/11/49/22/808114922.db2.gz	ONROHICFBLLAGG-DZGCQCFKSA-N	1	0	355.429	1.388	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@@H]3C[C@H]3CC)C2)CC1	ZINC000981544693	808115210	/nfs/dbraw/zinc/11/52/10/808115210.db2.gz	OJQXJHOXDLKVIV-QFHJOOASSA-N	1	0	359.514	1.779	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3cc[nH]c3C)C2)CC1	ZINC000981544928	808116040	/nfs/dbraw/zinc/11/60/40/808116040.db2.gz	XGBPFZPGSAZJIG-FUHWJXTLSA-N	1	0	370.497	1.683	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)CC2([NH+]3CCOCC3)CCCC2)n1	ZINC000279039012	808146998	/nfs/dbraw/zinc/14/69/98/808146998.db2.gz	COGXOTSKZCOUIS-UHFFFAOYSA-N	1	0	358.486	1.900	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1	ZINC000981684616	808338734	/nfs/dbraw/zinc/33/87/34/808338734.db2.gz	KRKWPNSSTNOGEF-JJRVBVJISA-N	1	0	357.458	1.385	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN([C@@H]2CCOC2)CC1)C(C)C	ZINC000663668630	808406198	/nfs/dbraw/zinc/40/61/98/808406198.db2.gz	PWNMCUVSNBGQFO-MOPGFXCFSA-N	1	0	364.534	1.801	20	30		FDEDRO
COC[C@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)OC	ZINC000512137324	808425100	/nfs/dbraw/zinc/42/51/00/808425100.db2.gz	HZPQKPBDYCXLGL-SFHVURJKSA-N	1	0	360.458	1.437	20	30		FDEDRO
C[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)[C@@H]1C[NH3+]	ZINC000423733825	815228473	/nfs/dbraw/zinc/22/84/73/815228473.db2.gz	OFOYEOHUPFWZLU-XOYOTBSWSA-N	1	0	354.454	1.338	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1c1ccccc1	ZINC001211702761	808800933	/nfs/dbraw/zinc/80/09/33/808800933.db2.gz	BWSRMGUUAOBVFW-DLBZAZTESA-N	1	0	370.453	1.089	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cc(C(N)=O)co2)C1	ZINC001087436922	808912785	/nfs/dbraw/zinc/91/27/85/808912785.db2.gz	RQEYAIAFVVBHFB-QZTJIDSGSA-N	1	0	365.433	1.990	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H](C[NH3+])C1CCCC1	ZINC000418613931	809077228	/nfs/dbraw/zinc/07/72/28/809077228.db2.gz	GEVQNOPOQGTBAM-UKRRQHHQSA-N	1	0	357.462	1.086	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](CCC)NC(N)=O)C[C@H]1c1ccccc1	ZINC001211715923	809148338	/nfs/dbraw/zinc/14/83/38/809148338.db2.gz	XSHSGICHAPKJOY-RCCFBDPRSA-N	1	0	358.486	1.984	20	30		FDEDRO
COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)NCC2(CC#N)CC2)cc1	ZINC000418836258	809256686	/nfs/dbraw/zinc/25/66/86/809256686.db2.gz	UJBBZWCDFUECPW-IAGOWNOFSA-N	1	0	370.453	1.067	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NCCSCc1ccccc1C#N)[C@H]1CCC[NH2+]C1	ZINC000418923868	809319048	/nfs/dbraw/zinc/31/90/48/809319048.db2.gz	ONJUUJMNAKRGJX-HOCLYGCPSA-N	1	0	374.510	1.412	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)C[C@H]1c1ccccc1	ZINC001211726352	809406881	/nfs/dbraw/zinc/40/68/81/809406881.db2.gz	WVVRQJGCNSAKJT-KSZLIROESA-N	1	0	362.495	1.724	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc[nH]2)C[C@H]1c1ccccc1	ZINC001211726317	809410319	/nfs/dbraw/zinc/41/03/19/809410319.db2.gz	VTSXYDOKVYMBMB-VQTJNVASSA-N	1	0	351.450	1.791	20	30		FDEDRO
N#Cc1ccccc1OC1CCC(NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1	ZINC000419031512	809435193	/nfs/dbraw/zinc/43/51/93/809435193.db2.gz	ITQGWOIJXPWGFX-CGZBRXJRSA-N	1	0	370.453	1.233	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C	ZINC000419051083	809485396	/nfs/dbraw/zinc/48/53/96/809485396.db2.gz	APGGKJMVRSXUPY-DJIMGWMZSA-N	1	0	359.470	1.519	20	30		FDEDRO
Cc1cnc(N)c(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1	ZINC000500832036	809625823	/nfs/dbraw/zinc/62/58/23/809625823.db2.gz	KNCWLIIFZNRZNL-UHFFFAOYSA-N	1	0	373.482	1.596	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CN2C(=O)CCC2=O)C1	ZINC001087442882	809768447	/nfs/dbraw/zinc/76/84/47/809768447.db2.gz	GUZGWJMJNMRKOG-QZTJIDSGSA-N	1	0	369.465	1.686	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@](C)(NC(C)=O)C(C)C)C[C@H]1c1ccccc1	ZINC001211732525	809797085	/nfs/dbraw/zinc/79/70/85/809797085.db2.gz	MKNMHMBFTNZMRI-QKNQBKEWSA-N	1	0	355.482	1.755	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)CS(C)(=O)=O)C[C@H]1c1ccccc1	ZINC001211732583	809813601	/nfs/dbraw/zinc/81/36/01/809813601.db2.gz	PFOIFNWXHUDMPM-BPQIPLTHSA-N	1	0	364.511	1.827	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)N(C)C)C1	ZINC001211736544	809922601	/nfs/dbraw/zinc/92/26/01/809922601.db2.gz	XCNJNHWCJGSBAO-BPQIPLTHSA-N	1	0	359.470	1.250	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC)C1	ZINC001211736625	809923071	/nfs/dbraw/zinc/92/30/71/809923071.db2.gz	ZTSZWGKOUCTHSV-BPQIPLTHSA-N	1	0	359.470	1.298	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2cn(C)nn2)C[C@H]1c1ccccc1	ZINC001211738434	809932736	/nfs/dbraw/zinc/93/27/36/809932736.db2.gz	BWZZJQIKYHYPIW-RBUKOAKNSA-N	1	0	351.454	1.355	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCN(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)[C@@H]2C1	ZINC000894099578	809961745	/nfs/dbraw/zinc/96/17/45/809961745.db2.gz	SSTCDTBFQCSSOW-CGTJXYLNSA-N	1	0	367.453	1.399	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccccc2C(=O)N2CCOCC2)CC1	ZINC000067144254	810048335	/nfs/dbraw/zinc/04/83/35/810048335.db2.gz	GTOVUTJNCDOYLM-UHFFFAOYSA-N	1	0	355.438	1.443	20	30		FDEDRO
C=CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cn2ncnn2)C1	ZINC001087455236	810068856	/nfs/dbraw/zinc/06/88/56/810068856.db2.gz	IYBBTJKCFADUBN-IAGOWNOFSA-N	1	0	358.421	1.363	20	30		FDEDRO
C[NH+]=C(NC[C@H](C)c1c(C)noc1C)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000261714006	810186851	/nfs/dbraw/zinc/18/68/51/810186851.db2.gz	KFNNYZVHTHONAR-YOEHRIQHSA-N	1	0	363.506	1.624	20	30		FDEDRO
C[C@@H]1COCC[C@@H]1[NH2+]CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000433153056	810228586	/nfs/dbraw/zinc/22/85/86/810228586.db2.gz	UXFQBPISNITFBU-MNEFBYGVSA-N	1	0	374.460	1.549	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)cc1	ZINC000419283704	810309843	/nfs/dbraw/zinc/30/98/43/810309843.db2.gz	LUCHYOZGGQWBBF-ZWKOTPCHSA-N	1	0	366.396	1.267	20	30		FDEDRO
CCC[NH+]1CCN(c2ccccc2C[NH2+]CCn2cnc(C#N)n2)CC1	ZINC000512856524	810327605	/nfs/dbraw/zinc/32/76/05/810327605.db2.gz	MVTKGPBIKUEZAF-UHFFFAOYSA-N	1	0	353.474	1.472	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@]3(C)CN(C(=O)[C@@H]4C[C@H]4CC)C[C@@]3(C)C2)C1=O	ZINC000982573626	810401962	/nfs/dbraw/zinc/40/19/62/810401962.db2.gz	BGJKSSDAYVORFN-ZUKOONMSSA-N	1	0	359.514	1.990	20	30		FDEDRO
C[C@H]1CC2(CN1C(=O)C(=O)N(C)Cc1ccc(C#N)cc1)CC[NH2+]CC2	ZINC000424495951	815376163	/nfs/dbraw/zinc/37/61/63/815376163.db2.gz	RPCNKUCDIISTGH-HNNXBMFYSA-N	1	0	354.454	1.507	20	30		FDEDRO
Cc1cc(C(=O)N2CCN(CC[NH+](C)C)CC2)nn1-c1cccc(C#N)c1	ZINC000508816592	810478843	/nfs/dbraw/zinc/47/88/43/810478843.db2.gz	FYICLQGTDAOJJM-UHFFFAOYSA-N	1	0	366.469	1.372	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2c(C)nnn2CC)C1	ZINC001028549391	810617793	/nfs/dbraw/zinc/61/77/93/810617793.db2.gz	PSKNDSKPAQIIDZ-JZXOWHBKSA-N	1	0	361.490	1.526	20	30		FDEDRO
C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)C[C@@]2(C)C1	ZINC000982640061	810676529	/nfs/dbraw/zinc/67/65/29/810676529.db2.gz	FMBDXECKXDMHHX-LFGUQSLTSA-N	1	0	358.486	1.645	20	30		FDEDRO
C[NH+]=C(NCC(=O)N(C)C)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1	ZINC000261767269	810771976	/nfs/dbraw/zinc/77/19/76/810771976.db2.gz	NOYJFBRCAYHPSW-AWEZNQCLSA-N	1	0	372.391	1.742	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@@H+](C[C@H](O)Cc4ccccc4)C[C@H]32)c1	ZINC001075658540	810908410	/nfs/dbraw/zinc/90/84/10/810908410.db2.gz	GZPNONKNAHCGJL-NLWGTHIKSA-N	1	0	364.449	1.636	20	30		FDEDRO
C=CCCn1cc(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)nn1	ZINC000424698873	815421938	/nfs/dbraw/zinc/42/19/38/815421938.db2.gz	QBYRSFJQBYSHAY-UHFFFAOYSA-N	1	0	369.469	1.741	20	30		FDEDRO
C=CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2COC(=O)N2)C1	ZINC001087464349	811200688	/nfs/dbraw/zinc/20/06/88/811200688.db2.gz	DPXDNESRTKBHOQ-BRWVUGGUSA-N	1	0	361.417	1.784	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CCC3)C2)CC1	ZINC000982814258	811267824	/nfs/dbraw/zinc/26/78/24/811267824.db2.gz	IIPNFGBLJDMVGZ-FFZOFVMBSA-N	1	0	371.525	1.733	20	30		FDEDRO
[NH2+]=C(NCCc1cccc([N+](=O)[O-])c1)N1CCN(c2ncccn2)CC1	ZINC000261651179	811291978	/nfs/dbraw/zinc/29/19/78/811291978.db2.gz	BLNAHELIYKOTPO-UHFFFAOYSA-N	1	0	355.402	1.064	20	30		FDEDRO
Cc1nc2n(n1)C[C@H](NC(NCc1nnc(C)n1C)=[NH+]C1CCCC1)CC2	ZINC000261657830	811293399	/nfs/dbraw/zinc/29/33/99/811293399.db2.gz	AJMCIQCECQGXGG-OAHLLOKOSA-N	1	0	371.493	1.016	20	30		FDEDRO
CNC(=O)CC1CCN(C(NCC(=O)Nc2cccc(F)c2)=[NH+]C)CC1	ZINC000261678900	811296063	/nfs/dbraw/zinc/29/60/63/811296063.db2.gz	CWZYKHUTEABQIS-UHFFFAOYSA-N	1	0	363.437	1.188	20	30		FDEDRO
CC[NH+]=C(NCc1nnc2n1CCC2)N1CC[C@@H](C)[C@H](n2ccnc2)C1	ZINC000261983427	811360397	/nfs/dbraw/zinc/36/03/97/811360397.db2.gz	PMWPULLFDMOXTJ-HUUCEWRRSA-N	1	0	356.478	1.469	20	30		FDEDRO
[NH2+]=C(NCc1ccc(OC(F)F)cc1)N1CCN(c2ncccn2)CC1	ZINC000262289782	811433877	/nfs/dbraw/zinc/43/38/77/811433877.db2.gz	MUNOKGNCHXWBDB-UHFFFAOYSA-N	1	0	362.384	1.715	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[C@H]2CCNC2=O)C1	ZINC001087465236	811487861	/nfs/dbraw/zinc/48/78/61/811487861.db2.gz	CKADLKMMNXMZMF-BHIYHBOVSA-N	1	0	371.456	1.649	20	30		FDEDRO
CC#CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[C@@H]2CCNC2=O)C1	ZINC001087465553	811508809	/nfs/dbraw/zinc/50/88/09/811508809.db2.gz	VHAYDJGTHFXTCQ-QXAKKESOSA-N	1	0	371.456	1.649	20	30		FDEDRO
[NH2+]=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)N1CCN(c2ncccn2)CC1	ZINC000262659157	811524885	/nfs/dbraw/zinc/52/48/85/811524885.db2.gz	WNLZHWBSBAPILI-JCNLHEQBSA-N	1	0	354.433	1.999	20	30		FDEDRO
Cc1noc(CCC[N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)n1	ZINC001075700570	815467049	/nfs/dbraw/zinc/46/70/49/815467049.db2.gz	WCJJSZYTNLPAKO-XJKSGUPXSA-N	1	0	354.414	1.357	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1	ZINC000280026705	811696934	/nfs/dbraw/zinc/69/69/34/811696934.db2.gz	MWFUNWGMHTXDHF-APWZRJJASA-N	1	0	353.470	1.383	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCC1CCN(c2ccccc2)CC1	ZINC000280114195	811722784	/nfs/dbraw/zinc/72/27/84/811722784.db2.gz	YYEPHZGJDPECBR-UHFFFAOYSA-N	1	0	359.518	1.530	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](CNC(=O)[C@@H]3C[C@H]3C3CCC3)C2)CC1	ZINC000982866395	811750325	/nfs/dbraw/zinc/75/03/25/811750325.db2.gz	OHWSOYPRNPNDTQ-LSTHTHJFSA-N	1	0	371.525	1.733	20	30		FDEDRO
COc1cc(C)cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1C	ZINC000280330083	811782923	/nfs/dbraw/zinc/78/29/23/811782923.db2.gz	SMFNOZONAGYOEG-UHFFFAOYSA-N	1	0	360.458	1.945	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCS(=O)(=O)CC2)C1	ZINC001104126515	812189002	/nfs/dbraw/zinc/18/90/02/812189002.db2.gz	NDOGQOMMFODNNC-SJLPKXTDSA-N	1	0	368.543	1.689	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1	ZINC000419882646	812274868	/nfs/dbraw/zinc/27/48/68/812274868.db2.gz	INVHLUIULZUGTD-NVXWUHKLSA-N	1	0	359.470	1.714	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)C2)CC1	ZINC000280143996	815547944	/nfs/dbraw/zinc/54/79/44/815547944.db2.gz	AHGVGFWLGIBNHO-UXHICEINSA-N	1	0	365.481	1.479	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1	ZINC000420108707	813464395	/nfs/dbraw/zinc/46/43/95/813464395.db2.gz	YNLQWFXHAZKAEC-PBHICJAKSA-N	1	0	365.424	1.951	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1	ZINC000420141321	813501980	/nfs/dbraw/zinc/50/19/80/813501980.db2.gz	ZFADJSIWWXCRPR-UKRRQHHQSA-N	1	0	360.414	1.366	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1	ZINC000420214692	813559472	/nfs/dbraw/zinc/55/94/72/813559472.db2.gz	RLJHRDZMRZYQMF-IPMKNSEASA-N	1	0	366.465	1.577	20	30		FDEDRO
C=CCN1CC[C@H](N(Cc2nccn2CC)[C@@H]2CC23CC[NH2+]CC3)C1=O	ZINC000420314307	813603919	/nfs/dbraw/zinc/60/39/19/813603919.db2.gz	QPLMGVGIBSCPLM-DLBZAZTESA-N	1	0	357.502	1.634	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1	ZINC001104165339	813622989	/nfs/dbraw/zinc/62/29/89/813622989.db2.gz	WQHKVIDUEBIIPY-IXDOHACOSA-N	1	0	354.516	1.155	20	30		FDEDRO
C[NH+]=C(NCc1cn2ccccc2n1)N[C@@H](C)Cc1c(C)nn(C)c1C	ZINC000261824724	813679449	/nfs/dbraw/zinc/67/94/49/813679449.db2.gz	UYFPLEGMBBWPBY-ZDUSSCGKSA-N	1	0	353.474	1.981	20	30		FDEDRO
COc1cccc([C@H](CNC(=O)C(=O)NCC(C)(C)CC#N)[NH+](C)C)c1	ZINC000420849026	813833988	/nfs/dbraw/zinc/83/39/88/813833988.db2.gz	SPNTZLSJZQWYEZ-INIZCTEOSA-N	1	0	360.458	1.470	20	30		FDEDRO
C[NH+]=C(NCCc1ccccc1Cl)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261841079	814189514	/nfs/dbraw/zinc/18/95/14/814189514.db2.gz	WIOXNNNATLHSJF-UHFFFAOYSA-N	1	0	374.876	1.540	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCC[C@@H]2C(=O)NC)cc1	ZINC000502833658	814284993	/nfs/dbraw/zinc/28/49/93/814284993.db2.gz	NQJKKNIGWOOIEF-ZWKOTPCHSA-N	1	0	372.469	1.836	20	30		FDEDRO
CO[C@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000271927571	814516814	/nfs/dbraw/zinc/51/68/14/814516814.db2.gz	LMWFXXYMBYFHST-ZWKOTPCHSA-N	1	0	360.433	1.255	20	30		FDEDRO
Cc1cc(NC(=O)NCc2ccnc(OCC[NH+](C)C)c2)nn1CCC#N	ZINC000272098454	814569669	/nfs/dbraw/zinc/56/96/69/814569669.db2.gz	OJSWJRBDIXPQKB-UHFFFAOYSA-N	1	0	371.445	1.762	20	30		FDEDRO
C[N@H+](CCc1ccccc1)[C@H]1CCN(S(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000514614942	815904468	/nfs/dbraw/zinc/90/44/68/815904468.db2.gz	MGHREBJGTBAMOY-SFHVURJKSA-N	1	0	370.478	1.891	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CCN1CCC(CO)([NH2+]CC2CC2)CC1	ZINC000514866764	816019198	/nfs/dbraw/zinc/01/91/98/816019198.db2.gz	WSFRKZLQIHQOLJ-UHFFFAOYSA-N	1	0	356.470	1.713	20	30		FDEDRO
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)N1CCC(CC[NH3+])CC1	ZINC000514946663	816037454	/nfs/dbraw/zinc/03/74/54/816037454.db2.gz	OZWAENMGDQTQOX-RBUKOAKNSA-N	1	0	368.481	1.872	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccnc(OC)n2)C1	ZINC001028862063	816304959	/nfs/dbraw/zinc/30/49/59/816304959.db2.gz	KUGQEQZQBREDIT-XIRDDKMYSA-N	1	0	360.458	1.405	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccn(C)c(=O)c2)C1	ZINC001028862800	816313511	/nfs/dbraw/zinc/31/35/11/816313511.db2.gz	XKMDXSVDUUSGAT-LNLFQRSKSA-N	1	0	359.470	1.305	20	30		FDEDRO
C=CC[N@@H+]([C@@H](C)C(=O)NC(=O)NCC)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000436396419	816477897	/nfs/dbraw/zinc/47/78/97/816477897.db2.gz	XKTZBQPRAQGIQW-KBPBESRZSA-N	1	0	371.445	1.446	20	30		FDEDRO
C=CCn1cc(CNC(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)nn1	ZINC000425648561	816785242	/nfs/dbraw/zinc/78/52/42/816785242.db2.gz	VBAMFFORWQGATM-QGZVFWFLSA-N	1	0	358.446	1.575	20	30		FDEDRO
CC[N@@H+]1CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)[C@@H](C)C1	ZINC000288480132	816873152	/nfs/dbraw/zinc/87/31/52/816873152.db2.gz	PFTMCCKBAJCBGO-ZDUSSCGKSA-N	1	0	354.458	1.703	20	30		FDEDRO
C=CCN(C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@@H](C)COC	ZINC000664624976	817026232	/nfs/dbraw/zinc/02/62/32/817026232.db2.gz	JHDOFYRVIVOOFL-LPHOPBHVSA-N	1	0	361.486	1.986	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)[C@H]2C1	ZINC000894334882	817086885	/nfs/dbraw/zinc/08/68/85/817086885.db2.gz	FDUYQGSZABLUNJ-CPFNUKBASA-N	1	0	369.469	1.989	20	30		FDEDRO
N#C[C@H]1CC[C@@H](NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)C1	ZINC000425835815	817209295	/nfs/dbraw/zinc/20/92/95/817209295.db2.gz	AWWBTSYSGIYOHP-MANSERQUSA-N	1	0	356.470	1.861	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@@](C(N)=O)(c4ccccc4)C3)C2=O)cc1	ZINC000517086013	817209744	/nfs/dbraw/zinc/20/97/44/817209744.db2.gz	DBUHBQIMBGQWGO-UGKGYDQZSA-N	1	0	374.444	1.793	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1	ZINC000425870224	817271213	/nfs/dbraw/zinc/27/12/13/817271213.db2.gz	LCECMAQSHOEOER-OLMNPRSZSA-N	1	0	354.454	1.821	20	30		FDEDRO
CC1=CC[N@H+](CCNC(=O)C(=O)N(C)[C@H](C)c2cccc(C#N)c2)CC1	ZINC000425882613	817300610	/nfs/dbraw/zinc/30/06/10/817300610.db2.gz	INRNZWVFPRGSAY-MRXNPFEDSA-N	1	0	354.454	1.846	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)C1=CC[N@H+](C)CC1	ZINC000425908165	817347800	/nfs/dbraw/zinc/34/78/00/817347800.db2.gz	GAERVPQDCXONSQ-GJZGRUSLSA-N	1	0	354.454	1.844	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C	ZINC000437930489	817402601	/nfs/dbraw/zinc/40/26/01/817402601.db2.gz	JFQJABAMDJNFIW-IKGGRYGDSA-N	1	0	368.522	1.359	20	30		FDEDRO
CSc1cccc(N2C[C@@H](C(=O)NC3(C#N)CC[NH+](C)CC3)CC2=O)c1	ZINC000517580427	817499537	/nfs/dbraw/zinc/49/95/37/817499537.db2.gz	XCROSESWXRXFTM-AWEZNQCLSA-N	1	0	372.494	1.866	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2ccc(OC)c(-n3cnnn3)c2)CC1	ZINC000438449064	817581338	/nfs/dbraw/zinc/58/13/38/817581338.db2.gz	RXDDWZWCMAEFKD-UHFFFAOYSA-N	1	0	357.418	1.443	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)C1	ZINC000506364492	817713572	/nfs/dbraw/zinc/71/35/72/817713572.db2.gz	SHDVTHXBIWGULC-INIZCTEOSA-N	1	0	353.426	1.503	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001087467684	817903400	/nfs/dbraw/zinc/90/34/00/817903400.db2.gz	KCFOAPBOYOBLHE-ZJPYXAASSA-N	1	0	357.429	1.245	20	30		FDEDRO
C#CCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C2CC[NH+](C)CC2)C1	ZINC001087475290	818310511	/nfs/dbraw/zinc/31/05/11/818310511.db2.gz	ANHVCIMNBKDSDV-SFTDATJTSA-N	1	0	369.509	1.944	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1	ZINC000983670409	818507473	/nfs/dbraw/zinc/50/74/73/818507473.db2.gz	KVINZDHWFQCPPW-XOKHGSTOSA-N	1	0	357.458	1.337	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc(C#N)c3)C2)C1	ZINC000983688668	818555461	/nfs/dbraw/zinc/55/54/61/818555461.db2.gz	AJQOVOKWWWXBDY-BNEJOLLZSA-N	1	0	354.454	1.457	20	30		FDEDRO
C[C@H]1[C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)CC[N@@H+]1C	ZINC000928436610	818570167	/nfs/dbraw/zinc/57/01/67/818570167.db2.gz	VCMCVNBPHDIUMV-HZMBPMFUSA-N	1	0	352.232	1.908	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]Cc2nnc(C)[nH]2)CC1	ZINC001029100736	818579848	/nfs/dbraw/zinc/57/98/48/818579848.db2.gz	DTAYQQUESKWMTM-XKQJLSEDSA-N	1	0	361.490	1.811	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccnc(OC)n2)C1	ZINC000983698343	818592954	/nfs/dbraw/zinc/59/29/54/818592954.db2.gz	KXJDMJSQDUGQMX-DZUCGIPZSA-N	1	0	360.458	1.451	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]CCCCCn1cncn1	ZINC001167985173	818717040	/nfs/dbraw/zinc/71/70/40/818717040.db2.gz	BNKPCPLGPMVVRI-ROUUACIJSA-N	1	0	363.506	1.916	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1	ZINC000729476213	818863840	/nfs/dbraw/zinc/86/38/40/818863840.db2.gz	CYLAQYLHQMYIJO-HNNXBMFYSA-N	1	0	352.479	1.937	20	30		FDEDRO
C[C@@H]([NH2+]Cc1cccc(C#N)c1)C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1	ZINC001029145151	818931599	/nfs/dbraw/zinc/93/15/99/818931599.db2.gz	SBRIPVABKRXNCU-XWIAVFTESA-N	1	0	354.454	1.396	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]Cc2cn(CC)nn2)CC1	ZINC001029146861	818934630	/nfs/dbraw/zinc/93/46/30/818934630.db2.gz	WULBEEUDCSNLIN-OLMNPRSZSA-N	1	0	361.490	1.606	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@@H](C)[NH2+]Cc2nncn2C)CC1	ZINC001029156696	818953851	/nfs/dbraw/zinc/95/38/51/818953851.db2.gz	LQCKJLLJYURWKO-HFTRVMKXSA-N	1	0	361.490	1.513	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccsc4C)[C@@H]3C2)C1=O	ZINC001075771787	819060781	/nfs/dbraw/zinc/06/07/81/819060781.db2.gz	DXMCZLGZQWRPFS-USXIJHARSA-N	1	0	359.495	1.990	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cncn2)C1	ZINC001112152195	819254194	/nfs/dbraw/zinc/25/41/94/819254194.db2.gz	MPEKKWOWAXIMAS-BFHYXJOUSA-N	1	0	359.396	1.859	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]C[C@@H](C)CS(C)(=O)=O	ZINC001167992319	819422607	/nfs/dbraw/zinc/42/26/07/819422607.db2.gz	VTFTUHPMBYSLMF-PMPSAXMXSA-N	1	0	360.520	1.134	20	30		FDEDRO
C[C@@H](NC(=O)c1ccc2n[nH]c(=O)n2c1)C1([NH+]2CCOCC2)CCCC1	ZINC000328671921	819527715	/nfs/dbraw/zinc/52/77/15/819527715.db2.gz	HSTQDIPUDPBHCU-CYBMUJFWSA-N	1	0	359.430	1.773	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CCCNC3=O)cn2)CC1	ZINC000328694279	819535789	/nfs/dbraw/zinc/53/57/89/819535789.db2.gz	SLKSFPIJDQQUEL-HNNXBMFYSA-N	1	0	360.462	1.346	20	30		FDEDRO
CC(=O)N1CCC[C@@H](CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1	ZINC000328753113	819544574	/nfs/dbraw/zinc/54/45/74/819544574.db2.gz	SCTMZYCJHRBUHC-ZWKOTPCHSA-N	1	0	366.506	1.203	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1cn(Cc2ccccc2)nn1	ZINC000328757859	819545012	/nfs/dbraw/zinc/54/50/12/819545012.db2.gz	VJBUBSPHKKBBGF-OAHLLOKOSA-N	1	0	372.473	1.649	20	30		FDEDRO
Cn1ncnc1[C@@H]1COCCN1C(=O)NCC1([NH+](C)C)CCCCCC1	ZINC000328893447	819579724	/nfs/dbraw/zinc/57/97/24/819579724.db2.gz	ULDUVYGZGVEHEQ-HNNXBMFYSA-N	1	0	364.494	1.757	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)CC1	ZINC000328908749	819590770	/nfs/dbraw/zinc/59/07/70/819590770.db2.gz	MILKEVPDIVISFO-GJYPPUQNSA-N	1	0	361.490	1.166	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(C#N)ccc2F)C1	ZINC000983913969	820059781	/nfs/dbraw/zinc/05/97/81/820059781.db2.gz	HPDRPAUCDHVOOP-GKEYINFOSA-N	1	0	361.417	1.486	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1	ZINC000983921936	820111872	/nfs/dbraw/zinc/11/18/72/820111872.db2.gz	DEWUJMWSDRQOML-INMHGKMJSA-N	1	0	371.485	1.585	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCc2ncnn21	ZINC001029311791	820535234	/nfs/dbraw/zinc/53/52/34/820535234.db2.gz	DQZLUWMPRFKFLA-RZFLPCETSA-N	1	0	371.485	1.422	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC000984080033	820738069	/nfs/dbraw/zinc/73/80/69/820738069.db2.gz	DEMPKKCDQRIYAU-RKVPGOIHSA-N	1	0	371.485	1.728	20	30		FDEDRO
CC#CC[C@H](CO)[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCOCC2	ZINC000895131857	820750703	/nfs/dbraw/zinc/75/07/03/820750703.db2.gz	LRQHDCKUJLOGEQ-BZUAXINKSA-N	1	0	352.475	1.813	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)c3ncc(C#N)cc3Cl)cn2)CC1	ZINC000427898312	820829680	/nfs/dbraw/zinc/82/96/80/820829680.db2.gz	AHDYXKPUPLORJR-UHFFFAOYSA-N	1	0	370.844	1.683	20	30		FDEDRO
C[NH+]=C(NCCN1C(=O)c2ccccc2C1=O)NCc1c(C)noc1C	ZINC000179022814	820905017	/nfs/dbraw/zinc/90/50/17/820905017.db2.gz	DBIJXMHKCHPNIF-UHFFFAOYSA-N	1	0	355.398	1.253	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ncccc3C)[C@H]2CC)C1=O	ZINC001087535808	820946796	/nfs/dbraw/zinc/94/67/96/820946796.db2.gz	CUUIWYRODZDRBP-BBWFWOEESA-N	1	0	356.470	1.760	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CC23CC3)CC1	ZINC000984115692	820981496	/nfs/dbraw/zinc/98/14/96/820981496.db2.gz	ZFXLTCMVKGVUKW-NEWSRXKRSA-N	1	0	371.525	1.875	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000442140618	821065040	/nfs/dbraw/zinc/06/50/40/821065040.db2.gz	RVYWSAMEZMJKGS-ZFWWWQNUSA-N	1	0	358.442	1.883	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2ccc(NC(=O)C(F)(F)F)nc2)CC1	ZINC000909490746	821304249	/nfs/dbraw/zinc/30/42/49/821304249.db2.gz	ZRMPXWASDRKVTD-UHFFFAOYSA-N	1	0	368.359	1.544	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CCCN1CC[NH+](C)CC1	ZINC000521923669	821396304	/nfs/dbraw/zinc/39/63/04/821396304.db2.gz	CWBWFIAXRGAJIY-UHFFFAOYSA-N	1	0	373.501	1.304	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CCN1Cc1ccc(C#N)cc1F	ZINC001087560493	821491382	/nfs/dbraw/zinc/49/13/82/821491382.db2.gz	CQDBHQZVUCYAOZ-ARFHVFGLSA-N	1	0	360.389	1.275	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCNC2=O)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087600079	821681617	/nfs/dbraw/zinc/68/16/17/821681617.db2.gz	JCRUMMIDDQLFNW-FGTMMUONSA-N	1	0	354.454	1.554	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)NC2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087635233	821852670	/nfs/dbraw/zinc/85/26/70/821852670.db2.gz	QJDJLXBLGGOAAF-OKZBNKHCSA-N	1	0	354.454	1.554	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000984261198	822001340	/nfs/dbraw/zinc/00/13/40/822001340.db2.gz	PEULMCYAGYATKR-KBRIMQKVSA-N	1	0	357.458	1.290	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnc(C)n3C)[C@H]2CC)C1=O	ZINC001087701804	822114681	/nfs/dbraw/zinc/11/46/81/822114681.db2.gz	NTQWCCYUQUAAID-XHSDSOJGSA-N	1	0	359.474	1.098	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CCN3CCCC3=O)[C@@H]2CC)c1	ZINC001087719027	822186455	/nfs/dbraw/zinc/18/64/55/822186455.db2.gz	WGXFPVDPVGTLCO-ZWKOTPCHSA-N	1	0	354.454	1.268	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](N(C)C(=O)[C@@H]3C[C@H]3CC)C2)CC1	ZINC000984302636	822227475	/nfs/dbraw/zinc/22/74/75/822227475.db2.gz	UKLFBSWFQIIOKP-BHIYHBOVSA-N	1	0	359.514	1.827	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+](CCn3cncn3)[C@@H]2CC)cc1	ZINC001087753714	822368453	/nfs/dbraw/zinc/36/84/53/822368453.db2.gz	UYZODLCVQZZBAD-RBUKOAKNSA-N	1	0	367.453	1.573	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCCC2)[C@@H]1CC	ZINC001087810209	822469216	/nfs/dbraw/zinc/46/92/16/822469216.db2.gz	IOMVQGURGPUKSP-VQTJNVASSA-N	1	0	367.493	1.802	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3ccc(C)nc3)[C@H]2CC)C1=O	ZINC001087830252	822525266	/nfs/dbraw/zinc/52/52/66/822525266.db2.gz	VVMGSKASCUOJBF-OTWHNJEPSA-N	1	0	370.497	1.689	20	30		FDEDRO
C#CC1(O)CC[NH+](Cc2ccc(O[C@H](C)C(=O)N(C)C)c(OCC)c2)CC1	ZINC000895378574	822558541	/nfs/dbraw/zinc/55/85/41/822558541.db2.gz	GWTXGXKTWCAOSW-MRXNPFEDSA-N	1	0	374.481	1.901	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3nc(C)no3)[C@@H]2CC)CC1	ZINC001087840221	822559284	/nfs/dbraw/zinc/55/92/84/822559284.db2.gz	MQBYBQNEDWQVQC-DLBZAZTESA-N	1	0	359.474	1.192	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccccc4)C[C@@H]3C2)C1=O	ZINC001087869689	822647823	/nfs/dbraw/zinc/64/78/23/822647823.db2.gz	AURJSOAHADTWBQ-CEXWTWQISA-N	1	0	353.466	1.867	20	30		FDEDRO
Cc1cc(NC(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)nn1CCC#N	ZINC000446325560	828468428	/nfs/dbraw/zinc/46/84/28/828468428.db2.gz	LBICUPYRGXSBJE-UHFFFAOYSA-N	1	0	369.429	1.910	20	30		FDEDRO
C[N@@H+](Cc1cc(C#N)ccc1F)C[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001029839886	828485476	/nfs/dbraw/zinc/48/54/76/828485476.db2.gz	LJVGBQNCWYCOAC-BMFZPTHFSA-N	1	0	358.417	1.099	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN(C)C(=O)C2C[NH+](C3CCOCC3)C2)c1	ZINC000895788111	822743876	/nfs/dbraw/zinc/74/38/76/822743876.db2.gz	HNFLOQFRBYAUES-UHFFFAOYSA-N	1	0	355.438	1.176	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)CC(F)(F)F)C[C@@H]3C2)C1=O	ZINC001087902279	822775978	/nfs/dbraw/zinc/77/59/78/822775978.db2.gz	UIKHRVPSKCJQQW-HZSPNIEDSA-N	1	0	359.392	1.506	20	30		FDEDRO
Cn1cc(CC(=O)N2C[C@@H]3C[N@@H+](CC#Cc4ccccc4)CC[C@@H]3C2)cn1	ZINC001087906377	823735405	/nfs/dbraw/zinc/73/54/05/823735405.db2.gz	COHGNJBTPSYAEP-RTWAWAEBSA-N	1	0	362.477	1.795	20	30		FDEDRO
C[NH+](C)C[C@@H]1COC2(CCCC2)CN1Cc1cnc2c(C#N)cnn2c1	ZINC000895992478	823913828	/nfs/dbraw/zinc/91/38/28/823913828.db2.gz	HZOWXNDPISLYDV-QGZVFWFLSA-N	1	0	354.458	1.676	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ncccc4C)C[C@@H]3C2)C1=O	ZINC001087926358	823941345	/nfs/dbraw/zinc/94/13/45/823941345.db2.gz	DIQRXIQCROCGMJ-SQNIBIBYSA-N	1	0	368.481	1.571	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CCOCC4)C[C@@H]3C2)cc1	ZINC001087937627	824005581	/nfs/dbraw/zinc/00/55/81/824005581.db2.gz	LFRHFSPLRABHSL-UXHICEINSA-N	1	0	368.481	1.171	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1)n1cncn1	ZINC001087939987	824034255	/nfs/dbraw/zinc/03/42/55/824034255.db2.gz	DZFWSQBHGJYWFL-SXLOBPIMSA-N	1	0	363.465	1.671	20	30		FDEDRO
Cn1ncc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4C#N)CC[C@@H]3C2)c1N	ZINC001087943233	824054243	/nfs/dbraw/zinc/05/42/43/824054243.db2.gz	PAZCZTGCMUEAHW-SJORKVTESA-N	1	0	364.453	1.468	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CC[C@H]3[C@@H]1CCC[N@H+]3CCO)C2	ZINC000896264026	824261453	/nfs/dbraw/zinc/26/14/53/824261453.db2.gz	LVPIOPDZRDKUCE-QYZOEREBSA-N	1	0	354.454	1.266	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CN(C)Cc2ncnn2CCC)C1	ZINC001029846265	828645930	/nfs/dbraw/zinc/64/59/30/828645930.db2.gz	DCMOUHUIWUWWJN-BBWFWOEESA-N	1	0	361.490	1.560	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C(C)(C)F)C[C@@H]3C2)CC1	ZINC000985635867	828648227	/nfs/dbraw/zinc/64/82/27/828648227.db2.gz	PNQQIYONZXFKNE-SJORKVTESA-N	1	0	363.477	1.387	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)[C@H]2CC)cc1	ZINC000984691848	824494707	/nfs/dbraw/zinc/49/47/07/824494707.db2.gz	NGXVTLMQLUXERS-IPMKNSEASA-N	1	0	353.466	1.871	20	30		FDEDRO
CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	ZINC000329128981	824613217	/nfs/dbraw/zinc/61/32/17/824613217.db2.gz	NQLBZVLLFJNIID-HZPDHXFCSA-N	1	0	363.506	1.963	20	30		FDEDRO
C[NH+]1CCC(CCNC(=O)N2CCC[C@@](O)(C(=O)N3CCCC3)C2)CC1	ZINC000329131411	824617318	/nfs/dbraw/zinc/61/73/18/824617318.db2.gz	OUVLVNLHLKOODY-IBGZPJMESA-N	1	0	366.506	1.082	20	30		FDEDRO
Cc1nc(Cn2nnc(NC(=O)N3C[C@@H]4CCC[N@H+]4C[C@H]3C)c2C)no1	ZINC000329142955	824625395	/nfs/dbraw/zinc/62/53/95/824625395.db2.gz	VIUBVQZEUCERAM-MFKMUULPSA-N	1	0	360.422	1.040	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)COc3ccc(F)cc3F)CC2)C1=O	ZINC000329156711	824633075	/nfs/dbraw/zinc/63/30/75/824633075.db2.gz	CUHJRYZBEATRQA-HNNXBMFYSA-N	1	0	367.396	1.995	20	30		FDEDRO
CN1CCc2ccc(C(=O)NC3CC[NH+]([C@H]4CCN(C)C4=O)CC3)cc21	ZINC000329188910	824653823	/nfs/dbraw/zinc/65/38/23/824653823.db2.gz	QPQRSSDNOZKFTL-KRWDZBQOSA-N	1	0	356.470	1.679	20	30		FDEDRO
O=C(CN1CCC[C@H](n2cncn2)C1)NC[C@@H]1COc2ccccc2O1	ZINC000329207566	824667048	/nfs/dbraw/zinc/66/70/48/824667048.db2.gz	YKQZFTWHOLADKO-LSDHHAIUSA-N	1	0	357.414	1.712	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC(=O)N(C(CC)CC)C3)C[C@@H]2C1	ZINC001087985655	824672930	/nfs/dbraw/zinc/67/29/30/824672930.db2.gz	YHBFSGNEPXRHGL-SQNIBIBYSA-N	1	0	359.514	1.827	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CC[C@@H]1CCC[N@@H+]1C	ZINC000984745343	824688990	/nfs/dbraw/zinc/68/89/90/824688990.db2.gz	JGKLPNHIUKPJFH-XYJFISCASA-N	1	0	371.485	1.870	20	30		FDEDRO
Cn1cc(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)c(C(C)(C)C)n1	ZINC000329316454	824731510	/nfs/dbraw/zinc/73/15/10/824731510.db2.gz	DYZLCZGYIVNBGI-HNNXBMFYSA-N	1	0	361.490	1.717	20	30		FDEDRO
Cc1noc([C@H](NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)C2CCOCC2)n1	ZINC000329379123	824762126	/nfs/dbraw/zinc/76/21/26/824762126.db2.gz	MUYFIUNRABKGMA-UHOFOFEASA-N	1	0	363.462	1.928	20	30		FDEDRO
CCO[C@H](CNC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1)C[NH+](C)C	ZINC000896683730	824788785	/nfs/dbraw/zinc/78/87/85/824788785.db2.gz	VJMYZNFLINOPBI-MSOLQXFVSA-N	1	0	360.458	1.608	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3cccc4c3CNC4=O)C2)CC1	ZINC000329463219	824811433	/nfs/dbraw/zinc/81/14/33/824811433.db2.gz	UHESWDYJRHFWKE-CQSZACIVSA-N	1	0	357.458	1.762	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)C1	ZINC000329467078	824813255	/nfs/dbraw/zinc/81/32/55/824813255.db2.gz	WIVCDOXDWIPTHM-YESZJQIVSA-N	1	0	367.490	1.470	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)CC1	ZINC000329482473	824827951	/nfs/dbraw/zinc/82/79/51/824827951.db2.gz	PXJKWNWDZOARFU-QRVBRYPASA-N	1	0	361.534	1.237	20	30		FDEDRO
C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H]1CCO[C@H]1c1ccnn1C	ZINC000329494622	824836738	/nfs/dbraw/zinc/83/67/38/824836738.db2.gz	UPRLCAALEFUYOO-MUQADHOPSA-N	1	0	361.490	1.970	20	30		FDEDRO
O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)C1(N2CCOCC2)CCC1	ZINC000329493036	824836791	/nfs/dbraw/zinc/83/67/91/824836791.db2.gz	ZVEOKLWHWBMTEO-RBUKOAKNSA-N	1	0	373.497	1.833	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)C[NH+]1CCC(C)CC1	ZINC000984792085	824930924	/nfs/dbraw/zinc/93/09/24/824930924.db2.gz	GVWNFOQRXZMORS-ZWKOTPCHSA-N	1	0	371.485	1.728	20	30		FDEDRO
CN(CC[NH+](C)C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N	ZINC000896820913	825006446	/nfs/dbraw/zinc/00/64/46/825006446.db2.gz	MHYPREQZRNIIBO-HVEKOLDVSA-N	1	0	364.490	1.793	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)C1	ZINC000329624811	825043207	/nfs/dbraw/zinc/04/32/07/825043207.db2.gz	SNIUXSWLRFKFKX-IRXDYDNUSA-N	1	0	360.458	1.611	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21	ZINC000525902609	828752061	/nfs/dbraw/zinc/75/20/61/828752061.db2.gz	YBNNIMCPLNXUOH-ZBFHGGJFSA-N	1	0	356.426	1.448	20	30		FDEDRO
Cn1nc2c(cc1=O)CN(C(=O)NCC1([NH+](C)C)CCCCCC1)CC2	ZINC000329688892	825303407	/nfs/dbraw/zinc/30/34/07/825303407.db2.gz	CGDMTCMAOWTKKG-UHFFFAOYSA-N	1	0	361.490	1.707	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cncc(OC)n2)C1	ZINC000984916305	825448122	/nfs/dbraw/zinc/44/81/22/825448122.db2.gz	IZAGUWFVFFASGT-DNUAJFIVSA-N	1	0	360.458	1.451	20	30		FDEDRO
COCC[C@@H]1COCCN1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000329803939	825466285	/nfs/dbraw/zinc/46/62/85/825466285.db2.gz	KAUSVBPTUHRICC-KURKYZTESA-N	1	0	369.506	1.406	20	30		FDEDRO
C[C@@H]1[C@H](C)N(C(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)CC[N@H+]1C	ZINC000329827194	825488162	/nfs/dbraw/zinc/48/81/62/825488162.db2.gz	ISOKGWAOSYNFNE-CABCVRRESA-N	1	0	374.489	1.039	20	30		FDEDRO
Cc1noc(CCNC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)n1	ZINC000329852062	825504240	/nfs/dbraw/zinc/50/42/40/825504240.db2.gz	RFSROFLXJIPXBY-UHFFFAOYSA-N	1	0	364.494	1.184	20	30		FDEDRO
Cc1nnc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)[C@@H](C)C(=O)NC(=O)NC2CC2)o1	ZINC000329948530	825558741	/nfs/dbraw/zinc/55/87/41/825558741.db2.gz	KUVOIXZFORSKOR-GAFUQQFSSA-N	1	0	368.413	1.648	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C([O-])=[NH+]C[C@@H]1CCc2nccn2C1	ZINC000329961690	825567839	/nfs/dbraw/zinc/56/78/39/825567839.db2.gz	RSXYSWBNNFXYSO-CVEARBPZSA-N	1	0	361.490	1.545	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3csc(-c4ncc[nH]4)n3)C[C@@H]2C1	ZINC001088047086	825590415	/nfs/dbraw/zinc/59/04/15/825590415.db2.gz	FPHPUAMCYPCAIE-KGLIPLIRSA-N	1	0	355.467	1.950	20	30		FDEDRO
O=C(NC1CC1)c1noc([C@@H]2CCCN2C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)n1	ZINC000330039950	825607962	/nfs/dbraw/zinc/60/79/62/825607962.db2.gz	CHRKLHZVRSRQBN-OCCSQVGLSA-N	1	0	374.445	1.249	20	30		FDEDRO
C[C@@H]1c2nncn2CCN1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000330050073	825611031	/nfs/dbraw/zinc/61/10/31/825611031.db2.gz	LJEIFOLQWFVCMK-BMFZPTHFSA-N	1	0	362.478	1.337	20	30		FDEDRO
CC(C)n1ncc2c1C[C@@H](NC(=O)N1CCC([N@H+](C)CCO)CC1)CC2	ZINC000330050092	825611189	/nfs/dbraw/zinc/61/11/89/825611189.db2.gz	LJXYTVQNKLTBOO-INIZCTEOSA-N	1	0	363.506	1.624	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cnnn4)cn3)C[C@@H]2C1	ZINC001088052481	825631892	/nfs/dbraw/zinc/63/18/92/825631892.db2.gz	SYABKBQNHKFILV-CABCVRRESA-N	1	0	353.430	1.027	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3c3nccs3)C[C@@H]2C1	ZINC001088053548	825644470	/nfs/dbraw/zinc/64/44/70/825644470.db2.gz	MXSUTKNQRHLMJT-IKGGRYGDSA-N	1	0	358.511	1.916	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(C)nc3[C@@H]3CCOC3)C[C@@H]2C1	ZINC001088054398	825656354	/nfs/dbraw/zinc/65/63/54/825656354.db2.gz	BXPZZPJADKUHSY-ZACQAIPSSA-N	1	0	356.470	1.341	20	30		FDEDRO
CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)cn1	ZINC000330191672	825723177	/nfs/dbraw/zinc/72/31/77/825723177.db2.gz	NGMMUCZRJJEHDS-VYDXJSESSA-N	1	0	360.462	1.409	20	30		FDEDRO
C[N@@H+]1CC[C@]2(CCN(C(=O)N[C@@H]3CCCN(C(=O)N4CCCC4)C3)C2)C1	ZINC000330234848	825748845	/nfs/dbraw/zinc/74/88/45/825748845.db2.gz	YNMMQNMRLMREHC-APWZRJJASA-N	1	0	363.506	1.608	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCC1)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000526055501	828820129	/nfs/dbraw/zinc/82/01/29/828820129.db2.gz	PRVBGXWDUFZCFD-BRWVUGGUSA-N	1	0	362.518	1.759	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C([O-])=[NH+][C@@H]2CCn3ccnc3C2)CC1	ZINC000330247938	825765051	/nfs/dbraw/zinc/76/50/51/825765051.db2.gz	FWGIWGNNNZSTHW-FGTMMUONSA-N	1	0	374.533	1.602	20	30		FDEDRO
Cc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CC[N@H+](C3CCOCC3)C[C@@H]1C)CC2	ZINC000330254638	825767937	/nfs/dbraw/zinc/76/79/37/825767937.db2.gz	JNTGZZXHLDPAAM-DZGCQCFKSA-N	1	0	362.478	1.000	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1cnc(N(C)C)n1C	ZINC000330258842	825771311	/nfs/dbraw/zinc/77/13/11/825771311.db2.gz	MUMSEGNYALEODU-AWEZNQCLSA-N	1	0	364.494	1.085	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](C[C@H]3CCCS(=O)(=O)C3)CC[C@@H]2C1	ZINC001088067222	825803487	/nfs/dbraw/zinc/80/34/87/825803487.db2.gz	UDFSFNKHKLFTEM-ZACQAIPSSA-N	1	0	368.543	1.804	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1	ZINC000280877143	825804832	/nfs/dbraw/zinc/80/48/32/825804832.db2.gz	LRAITTSYRXFNGO-PXNSSMCTSA-N	1	0	367.497	1.630	20	30		FDEDRO
Cn1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)c([C@@H]2CCOC2)n1	ZINC000330299711	825827276	/nfs/dbraw/zinc/82/72/76/825827276.db2.gz	MNTMWZOQKDTWAU-CQSZACIVSA-N	1	0	370.457	1.707	20	30		FDEDRO
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@H](C#N)Cc1ccc(C#N)cc1	ZINC000280918728	825828708	/nfs/dbraw/zinc/82/87/08/825828708.db2.gz	OCTPIANYWWMQLR-IBGZPJMESA-N	1	0	367.497	1.725	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)CC1	ZINC000281006545	825848829	/nfs/dbraw/zinc/84/88/29/825848829.db2.gz	WIRNKOKTFYVEGI-AEFFLSMTSA-N	1	0	360.458	1.957	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](OCc3ccncc3)C2)cc1	ZINC000281125598	825893539	/nfs/dbraw/zinc/89/35/39/825893539.db2.gz	XWRFPJIHDAATGX-ICSRJNTNSA-N	1	0	353.422	1.984	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)CC2)o1	ZINC000281195966	825907939	/nfs/dbraw/zinc/90/79/39/825907939.db2.gz	MWGFIMAUSSKHGJ-WMLDXEAASA-N	1	0	357.458	1.624	20	30		FDEDRO
Cc1c([C@H]2OCC[C@@H]2NC(=O)NC2CC[NH+](CC3CC3)CC2)cnn1C	ZINC000330325988	825916819	/nfs/dbraw/zinc/91/68/19/825916819.db2.gz	JSEPUQLQJGREAH-ZWKOTPCHSA-N	1	0	361.490	1.937	20	30		FDEDRO
C#CCCOc1ccc(CN(CCN2CC[NH+](C)CC2)CC(=O)OC)cc1	ZINC000281333651	825932297	/nfs/dbraw/zinc/93/22/97/825932297.db2.gz	SFCHLFRYTBSFFK-UHFFFAOYSA-N	1	0	373.497	1.311	20	30		FDEDRO
C[C@H]1CN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC[N@@H+]1CC(C)(C)O	ZINC000281377112	825948289	/nfs/dbraw/zinc/94/82/89/825948289.db2.gz	ZJEHAIYYGLOMDD-YJBOKZPZSA-N	1	0	354.454	1.544	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3cc[nH]c3C)[C@@H]2CC)CC1	ZINC000984988367	825999756	/nfs/dbraw/zinc/99/97/56/825999756.db2.gz	HNFBJKPAQRPFTN-RBUKOAKNSA-N	1	0	370.497	1.778	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(C)n3)[C@@H]2CC)CC1	ZINC000984988454	825999761	/nfs/dbraw/zinc/99/97/61/825999761.db2.gz	HXHDIOVEWFVDFX-FUHWJXTLSA-N	1	0	371.485	1.173	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)/C=C\C3CC3)[C@@H]2CC)CC1	ZINC000984989394	826006996	/nfs/dbraw/zinc/00/69/96/826006996.db2.gz	QTQYRSFWZWJSAS-AWTIPJNISA-N	1	0	357.498	1.794	20	30		FDEDRO
COc1ccc(OC)c(NC(=[NH2+])NCc2ccc3c(c2)C(=O)NCC3)c1	ZINC000262362935	826035859	/nfs/dbraw/zinc/03/58/59/826035859.db2.gz	JJPJPEPDQRJCOY-UHFFFAOYSA-N	1	0	354.410	1.917	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C	ZINC000281829322	826262800	/nfs/dbraw/zinc/26/28/00/826262800.db2.gz	PTIUSBHGTAFXBD-AEFFLSMTSA-N	1	0	359.470	1.827	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CCN1C(=O)[C@H](C)C#N	ZINC000985075772	826287250	/nfs/dbraw/zinc/28/72/50/826287250.db2.gz	RTHOQQUJQHMHNB-OAUYIBNBSA-N	1	0	353.426	1.912	20	30		FDEDRO
N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)C4(C(N)=O)CC4)C[C@@H]3C2)c1	ZINC001088089139	826318611	/nfs/dbraw/zinc/31/86/11/826318611.db2.gz	BZISQBMINBTERE-ZBFHGGJFSA-N	1	0	370.428	1.243	20	30		FDEDRO
C[N@@H+]1CCCN(c2ccc(-c3noc([C@@]4(C#N)CCCOC4)n3)cn2)CC1	ZINC000866903310	826381621	/nfs/dbraw/zinc/38/16/21/826381621.db2.gz	HTZMOAIURZCLLC-LJQANCHMSA-N	1	0	368.441	1.845	20	30		FDEDRO
C[C@]1(C(=O)N2C[C@@H]3C[N@@H+](CC#Cc4ccccc4)CC[C@@H]3C2)CCNC1=O	ZINC001088103672	826407401	/nfs/dbraw/zinc/40/74/01/826407401.db2.gz	FCWYDLHLHQUJCD-DXIQSLLYSA-N	1	0	365.477	1.345	20	30		FDEDRO
C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H](C)C3)C[C@@H]2C1	ZINC001088131225	826549935	/nfs/dbraw/zinc/54/99/35/826549935.db2.gz	DUOPHJRBOTYFKY-BMFZPTHFSA-N	1	0	353.894	1.778	20	30		FDEDRO
Cn1ncc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(F)c(C#N)c4)CC[C@@H]3C2)n1	ZINC001088139338	826639892	/nfs/dbraw/zinc/63/98/92/826639892.db2.gz	IMETXVSFCGHTLC-ZBFHGGJFSA-N	1	0	368.416	1.420	20	30		FDEDRO
C=C(C)COCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000475078957	826652326	/nfs/dbraw/zinc/65/23/26/826652326.db2.gz	DTJGEFOGVSORDC-RTBURBONSA-N	1	0	361.486	1.761	20	30		FDEDRO
O=C(c1nc[nH]n1)N1C[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)CC[C@@H]2C1	ZINC001088143995	826694945	/nfs/dbraw/zinc/69/49/45/826694945.db2.gz	OKPLBCLIAOCQEO-CVEARBPZSA-N	1	0	353.401	1.389	20	30		FDEDRO
N#Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4nc[nH]n4)C[C@@H]3C2)ccc1F	ZINC001088144132	826695779	/nfs/dbraw/zinc/69/57/79/826695779.db2.gz	UVWLOUIOKKMGKK-HIFRSBDPSA-N	1	0	354.389	1.410	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4nccs4)C[C@@H]3C2)C1=O	ZINC001088149345	826759835	/nfs/dbraw/zinc/75/98/35/826759835.db2.gz	YNDWYDUPWVTQPF-ILXRZTDVSA-N	1	0	360.483	1.324	20	30		FDEDRO
Cc1c(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cnn1CCC#N	ZINC000897055593	826836796	/nfs/dbraw/zinc/83/67/96/826836796.db2.gz	AKBLKCYTLOQNCU-MSOLQXFVSA-N	1	0	359.474	1.603	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccn3ccnc23)C[C@H]1C(F)(F)F	ZINC001112178110	826917885	/nfs/dbraw/zinc/91/78/85/826917885.db2.gz	SIBLGPMHRUGVMO-ZIAGYGMSSA-N	1	0	350.344	1.950	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2ccnc(C#N)n2)CC[N@@H+]1C	ZINC001059515558	827184296	/nfs/dbraw/zinc/18/42/96/827184296.db2.gz	FOEVNIDDNFWVEE-LDBYLJPUSA-N	1	0	368.485	1.695	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2ncccc2C#N)CC[N@@H+]1C	ZINC001059515594	827185307	/nfs/dbraw/zinc/18/53/07/827185307.db2.gz	HXGQBHWEVJQUHA-POGJWJPPSA-N	1	0	353.470	1.909	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H]2C[N@@H+](C[C@H]3CCOC3)CC[C@@H]2C1	ZINC001088174593	827221868	/nfs/dbraw/zinc/22/18/68/827221868.db2.gz	DTCQMYCCRFVBKY-KURKYZTESA-N	1	0	369.465	1.524	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCN(CC)C4=O)CC[C@@H]3C2)cn1	ZINC001088175219	827225010	/nfs/dbraw/zinc/22/50/10/827225010.db2.gz	LFMKIXYTAQFJKW-ZIFCJYIRSA-N	1	0	366.465	1.078	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)CC[C@@H]2C1	ZINC001088183561	827308460	/nfs/dbraw/zinc/30/84/60/827308460.db2.gz	MBSDKVIHYDTNBW-HSALFYBXSA-N	1	0	365.477	1.269	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3c(C(F)(F)F)cnn3C)C[C@@H]2C1	ZINC001088187029	827358464	/nfs/dbraw/zinc/35/84/64/827358464.db2.gz	CXFNVXXPKJICNK-OLZOCXBDSA-N	1	0	354.376	1.856	20	30		FDEDRO
Cn1ccc(CCC(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)n1	ZINC001075849970	827688575	/nfs/dbraw/zinc/68/85/75/827688575.db2.gz	FKLGUROKNJPRFS-AZUAARDMSA-N	1	0	363.465	1.957	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2CC)c1	ZINC000985432829	827807830	/nfs/dbraw/zinc/80/78/30/827807830.db2.gz	GEMSOSDFFPEZTN-ZYSHUDEJSA-N	1	0	368.481	1.514	20	30		FDEDRO
CC(C)(C)c1ccc(OCCNC(=[NH2+])NCCCN2CCOCC2)cc1	ZINC000303787150	827926108	/nfs/dbraw/zinc/92/61/08/827926108.db2.gz	SEOKJGRVQNWIGQ-UHFFFAOYSA-N	1	0	362.518	1.990	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC([N@H+](C)Cc2ccc(C#N)cc2)CC1	ZINC000985477320	827971127	/nfs/dbraw/zinc/97/11/27/827971127.db2.gz	AJOFPPVJHJLOBG-KXBFYZLASA-N	1	0	357.454	1.785	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H](C[N@H+](C)Cc3ccccc3C#N)C2)O1	ZINC001029767634	828033894	/nfs/dbraw/zinc/03/38/94/828033894.db2.gz	WKMONUMNDACSQB-MBOZVWFJSA-N	1	0	370.497	1.558	20	30		FDEDRO
C#CCN(CC#N)C(=O)c1nnn(-c2cccc3c2CC[N@@H+](CC)C3)c1C	ZINC000367172624	828221531	/nfs/dbraw/zinc/22/15/31/828221531.db2.gz	HNHUGEDZHAHSKR-UHFFFAOYSA-N	1	0	362.437	1.553	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([N@H+](C)CC(=O)N2CCC2)CC1	ZINC000985691439	828993607	/nfs/dbraw/zinc/99/36/07/828993607.db2.gz	APDGFGXXKZHQOG-HKUYNNGSSA-N	1	0	363.502	1.513	20	30		FDEDRO
[NH2+]=C(NCCc1cc(F)c(F)c(F)c1)N1CCN(c2ncccn2)CC1	ZINC000262606996	829032642	/nfs/dbraw/zinc/03/26/42/829032642.db2.gz	ZYVSKXSWPDEVCN-UHFFFAOYSA-N	1	0	364.375	1.573	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N(CCC)CCC	ZINC001168101122	829226094	/nfs/dbraw/zinc/22/60/94/829226094.db2.gz	NMDZOIBKFVRBRB-WMZOPIPTSA-N	1	0	353.507	1.712	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1	ZINC001088381672	829317576	/nfs/dbraw/zinc/31/75/76/829317576.db2.gz	JTKWDQAQUGWRQN-KURKYZTESA-N	1	0	361.486	1.150	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC1	ZINC000528365069	829361878	/nfs/dbraw/zinc/36/18/78/829361878.db2.gz	BBZXUDOZBDAXNA-QZTJIDSGSA-N	1	0	373.453	1.011	20	30		FDEDRO
NC(=O)CC[C@H]1CCC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000528369065	829374096	/nfs/dbraw/zinc/37/40/96/829374096.db2.gz	PRWUJHRNQPOUOL-OAHLLOKOSA-N	1	0	353.422	1.264	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000528385196	829387582	/nfs/dbraw/zinc/38/75/82/829387582.db2.gz	XXAATISJXUJBCA-UHFFFAOYSA-N	1	0	369.465	1.065	20	30		FDEDRO
CC(=O)NCC[C@@H]1CCC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000528502058	829428982	/nfs/dbraw/zinc/42/89/82/829428982.db2.gz	JBWXFLSACCIUKZ-KRWDZBQOSA-N	1	0	367.449	1.524	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](N2CCCC2=O)CC1	ZINC000528517515	829434815	/nfs/dbraw/zinc/43/48/15/829434815.db2.gz	AAHKZRVNAFURAV-ROUUACIJSA-N	1	0	357.454	1.775	20	30		FDEDRO
Cc1noc(C[C@@]2(O)CCC[N@H+](C[C@@H](O)COc3ccccc3C#N)C2)n1	ZINC000528528366	829436816	/nfs/dbraw/zinc/43/68/16/829436816.db2.gz	NSEHLPKMMKAZMT-APWZRJJASA-N	1	0	372.425	1.059	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C[N@H+]2CC3(CCOCC3)CC[C@H]2CO)c1	ZINC000528641872	829482388	/nfs/dbraw/zinc/48/23/88/829482388.db2.gz	WFZJEAGGMAQWPU-SFHVURJKSA-N	1	0	357.454	1.428	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NCC(F)(F)F	ZINC001168109704	829525110	/nfs/dbraw/zinc/52/51/10/829525110.db2.gz	FHSYASGVIMDPPN-AVGNSLFASA-N	1	0	365.396	1.131	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NC1CCCCC1	ZINC001168110451	829554641	/nfs/dbraw/zinc/55/46/41/829554641.db2.gz	UUXHUFUWGVPPNU-NJAFHUGGSA-N	1	0	365.518	1.901	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(C(=O)Cc3ccc(C#N)nc3)CC2)CC1	ZINC000528863272	829589073	/nfs/dbraw/zinc/58/90/73/829589073.db2.gz	APTQLMKCMGUPQW-UHFFFAOYSA-N	1	0	355.486	1.513	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@H]3CC[NH2+]C34CCC4)C2=O)cc1	ZINC000529319509	829826803	/nfs/dbraw/zinc/82/68/03/829826803.db2.gz	AMYQQDISAGFZSY-SJORKVTESA-N	1	0	367.453	1.243	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@@H]3CC[NH2+]C34CCC4)C2=O)cc1	ZINC000529328328	829834344	/nfs/dbraw/zinc/83/43/44/829834344.db2.gz	YSJNMMUIIBIWGG-IAGOWNOFSA-N	1	0	367.453	1.637	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CCN1Cc1ccccc1	ZINC000529358899	829844375	/nfs/dbraw/zinc/84/43/75/829844375.db2.gz	JAQONCGGCPHMTI-MSOLQXFVSA-N	1	0	353.470	1.691	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C1	ZINC000985892308	830007420	/nfs/dbraw/zinc/00/74/20/830007420.db2.gz	WEXZIPSEBTWCEK-RYRKJORJSA-N	1	0	369.469	1.291	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C1	ZINC000985897013	830027647	/nfs/dbraw/zinc/02/76/47/830027647.db2.gz	ZGQAACYEHHYKEK-OIISXLGYSA-N	1	0	369.469	1.291	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1COC(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1	ZINC000729810094	837434383	/nfs/dbraw/zinc/43/43/83/837434383.db2.gz	TWTUIIHCYNCPAS-SFHVURJKSA-N	1	0	357.410	1.858	20	30		FDEDRO
C[NH+](C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C1)C1CC1	ZINC000985982400	830238927	/nfs/dbraw/zinc/23/89/27/830238927.db2.gz	FERQWVUPFVPDFW-HFTRVMKXSA-N	1	0	369.469	1.147	20	30		FDEDRO
CCO[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C12CCC2	ZINC000451481504	830372434	/nfs/dbraw/zinc/37/24/34/830372434.db2.gz	RHGKXMUPYFQSDD-KZNAEPCWSA-N	1	0	362.518	1.616	20	30		FDEDRO
CC(C)O[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1(C)C	ZINC000451492770	830380010	/nfs/dbraw/zinc/38/00/10/830380010.db2.gz	GEOMKYYUCILSGL-KZNAEPCWSA-N	1	0	364.534	1.860	20	30		FDEDRO
C[C@@H]1C[C@@]1(C#N)C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000451698399	830423555	/nfs/dbraw/zinc/42/35/55/830423555.db2.gz	ZFXHCUZLLGBHMI-QFUCXCTJSA-N	1	0	352.482	1.955	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1	ZINC000986083177	830589553	/nfs/dbraw/zinc/58/95/53/830589553.db2.gz	MWDHPUILDXCARN-HSALFYBXSA-N	1	0	371.525	1.970	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3CCCC[N@H+]3CCO)cc2C1=O	ZINC000452395098	830645298	/nfs/dbraw/zinc/64/52/98/830645298.db2.gz	WBHBXPVSAMMGOR-OAHLLOKOSA-N	1	0	371.437	1.045	20	30		FDEDRO
C[C@H](C(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]2C1)[NH+]1CCCCCC1	ZINC000986095231	830705628	/nfs/dbraw/zinc/70/56/28/830705628.db2.gz	JBXONNDWBGUZSL-RLLQIKCJSA-N	1	0	371.525	1.971	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]2C1	ZINC000986101273	830758600	/nfs/dbraw/zinc/75/86/00/830758600.db2.gz	PFBYPOKJNCQJIP-CEXWTWQISA-N	1	0	357.498	1.580	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1C#N	ZINC000453614261	830969037	/nfs/dbraw/zinc/96/90/37/830969037.db2.gz	PJHZJVDCQCFRJC-MGPQQGTHSA-N	1	0	357.458	1.683	20	30		FDEDRO
C[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)CC[C@@H]3C2)CC1	ZINC000986333560	831501699	/nfs/dbraw/zinc/50/16/99/831501699.db2.gz	RZDCTXQLJPQNOT-WBVHZDCISA-N	1	0	369.469	1.149	20	30		FDEDRO
C[NH+]=C(NCc1c(C)nn(C)c1C)NCc1ccnc(-n2cccn2)c1	ZINC000262819801	831543847	/nfs/dbraw/zinc/54/38/47/831543847.db2.gz	PLLIWKFSFMGWOZ-UHFFFAOYSA-N	1	0	352.446	1.483	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)CC[C@@H]3C2)cc1	ZINC000986470734	831732191	/nfs/dbraw/zinc/73/21/91/831732191.db2.gz	OSAOPRXFIGIXEO-AABGKKOBSA-N	1	0	365.477	1.683	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2C1	ZINC000986482768	831750961	/nfs/dbraw/zinc/75/09/61/831750961.db2.gz	NELFUWWZABWVIL-SQNIBIBYSA-N	1	0	359.514	1.847	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN2CC[C@H](NC(=O)C[C@H]3CCOC3)[C@H]2C)c1	ZINC001088502190	831868016	/nfs/dbraw/zinc/86/80/16/831868016.db2.gz	YEIOTUOKHDPXQF-SUMDDJOVSA-N	1	0	369.465	1.612	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3conc3C)C[C@@H]2C1	ZINC000986598686	832020253	/nfs/dbraw/zinc/02/02/53/832020253.db2.gz	LITYYLVQYYOOOG-RYRKJORJSA-N	1	0	370.453	1.001	20	30		FDEDRO
C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1	ZINC000986827773	832279564	/nfs/dbraw/zinc/27/95/64/832279564.db2.gz	JLPFCDIFLUPQLJ-CKEIUWERSA-N	1	0	371.485	1.583	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1Cc1ccc2nonc2c1	ZINC001088511580	832324560	/nfs/dbraw/zinc/32/45/60/832324560.db2.gz	UHKQKTWLPGLQFV-RISCZKNCSA-N	1	0	350.382	1.815	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@](C[NH2+]C[C@@H](C)O)(c2ccccc2)C1	ZINC001105439748	832385949	/nfs/dbraw/zinc/38/59/49/832385949.db2.gz	KQPPKWWGYOAUNG-LGOLQKBTSA-N	1	0	358.482	1.765	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1Cc1cc2n(n1)CCCC2	ZINC001088529904	832461300	/nfs/dbraw/zinc/46/13/00/832461300.db2.gz	USJLWCZWHRAZGT-DYVFJYSZSA-N	1	0	352.442	1.812	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnc(COC)s2)C[C@H]1C(F)(F)F	ZINC001112220258	832499634	/nfs/dbraw/zinc/49/96/34/832499634.db2.gz	SBIVDHVXSVZPJJ-GHMZBOCLSA-N	1	0	361.389	1.905	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21	ZINC001075885301	832518803	/nfs/dbraw/zinc/51/88/03/832518803.db2.gz	PVRLBKSHAYLWNL-YTQUADARSA-N	1	0	370.497	1.830	20	30		FDEDRO
C=C(Cl)CN1C[C@@H]2CCN(C(=O)c3ccc4c(c3)OCC(=O)N4)[C@@H]2C1	ZINC001075886222	832579461	/nfs/dbraw/zinc/57/94/61/832579461.db2.gz	IFKYIXPWLFQLPX-DZGCQCFKSA-N	1	0	361.829	1.916	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3cccnc3)[C@H]2C)CC1	ZINC000987229667	832682138	/nfs/dbraw/zinc/68/21/38/832682138.db2.gz	OIDVSVYTBFEQSJ-QAPCUYQASA-N	1	0	354.454	1.146	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3coc(C)n3)[C@H]2C)CC1	ZINC000987700540	833573981	/nfs/dbraw/zinc/57/39/81/833573981.db2.gz	QXURTRLZDBCXSP-CJNGLKHVSA-N	1	0	358.442	1.047	20	30		FDEDRO
C=CCOCCCNC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1	ZINC000666519826	833898236	/nfs/dbraw/zinc/89/82/36/833898236.db2.gz	VCOIMOHNLAZBPH-UHFFFAOYSA-N	1	0	352.523	1.779	20	30		FDEDRO
C=CC(C)(C)CNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000454453618	835501175	/nfs/dbraw/zinc/50/11/75/835501175.db2.gz	RULWMYKWWRKHPJ-UHFFFAOYSA-N	1	0	360.506	1.890	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](OCC)[C@@H]2n2cccn2)CC1	ZINC000454471081	835515791	/nfs/dbraw/zinc/51/57/91/835515791.db2.gz	YECNKDQGOPLJCY-KZNAEPCWSA-N	1	0	361.490	1.941	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2CCC[N@H+]2CCCO)cc1	ZINC000454525156	835546809	/nfs/dbraw/zinc/54/68/09/835546809.db2.gz	BLOXLYKZSLLGOO-QGZVFWFLSA-N	1	0	360.458	1.571	20	30		FDEDRO
CC(C)[NH+]1CCN([C@H]2CCN([C@@H](C(N)=O)c3ccc(C#N)cc3)C2)CC1	ZINC000532986682	835605697	/nfs/dbraw/zinc/60/56/97/835605697.db2.gz	UDYQOAYIBAENLL-RBUKOAKNSA-N	1	0	355.486	1.185	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)C(C)=C3CCC3)[C@@H]2C)CC1	ZINC000988506484	835658414	/nfs/dbraw/zinc/65/84/14/835658414.db2.gz	MRCZBIMZLILQIV-APWZRJJASA-N	1	0	357.498	1.938	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC(CN(C)C(=O)c3cc(C#N)c[nH]3)CC2)CC[N@@H+]1C	ZINC000988545308	835902950	/nfs/dbraw/zinc/90/29/50/835902950.db2.gz	SUSRCISPWKXYTJ-RHSMWYFYSA-N	1	0	371.485	1.537	20	30		FDEDRO
N#CCCCOc1cccnc1NC(=O)NC[C@H]1CCCC[N@H+]1CCO	ZINC000455166873	835925244	/nfs/dbraw/zinc/92/52/44/835925244.db2.gz	MJKRSHSRWIVJCO-OAHLLOKOSA-N	1	0	361.446	1.732	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1CN(Cc2oc(C)nc2C)C[C@H]1OC	ZINC001211994935	836030730	/nfs/dbraw/zinc/03/07/30/836030730.db2.gz	PAROYHDKJMTMGJ-FRFSOERESA-N	1	0	351.447	1.588	20	30		FDEDRO
C[C@H]1OC(C)(C)N(C(=O)C[NH3+])[C@@H]1c1nc(-c2cc(C#N)ccc2F)no1	ZINC001212031878	836345789	/nfs/dbraw/zinc/34/57/89/836345789.db2.gz	YSZVMBYJBVPKLK-OTYXRUKQSA-N	1	0	359.361	1.731	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1C[C@@H](NC(=O)/C=C\C(C)(C)C)[C@H](OC)C1	ZINC001212047264	836399224	/nfs/dbraw/zinc/39/92/24/836399224.db2.gz	FYZWEZCCCPGAJD-CZDHMLMNSA-N	1	0	365.518	1.829	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)c1	ZINC000988783185	837318909	/nfs/dbraw/zinc/31/89/09/837318909.db2.gz	POJTVYJUZSHKPM-KDOFPFPSSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4onc(C)c4C)[C@@H]3C2)C1=O	ZINC001075924603	837384664	/nfs/dbraw/zinc/38/46/64/837384664.db2.gz	YRFBANWLOAGWEV-ARFHVFGLSA-N	1	0	358.442	1.225	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CSCC#N)C2	ZINC001112264805	844302208	/nfs/dbraw/zinc/30/22/08/844302208.db2.gz	SPWQCGFYZWADSY-MPGHIAIKSA-N	1	0	364.515	1.152	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]cn3)[C@@H]2C)cn1	ZINC000989163860	838546210	/nfs/dbraw/zinc/54/62/10/838546210.db2.gz	JJXFTIZTPGPXGO-IYOUNJFTSA-N	1	0	365.437	1.384	20	30		FDEDRO
Cc1nn(C)cc1CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C	ZINC001088627090	838588832	/nfs/dbraw/zinc/58/88/32/838588832.db2.gz	YIUSSEYYKPJXNP-BEFAXECRSA-N	1	0	351.454	1.922	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CC#CC)C3)[C@@H]2C(C)C)nc1	ZINC001105670013	844346503	/nfs/dbraw/zinc/34/65/03/844346503.db2.gz	WYTIJMPUBBOGHB-JBPLPALLSA-N	1	0	365.477	1.666	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3cnccc3C)[C@H]2C)C1=O	ZINC001088632057	838611152	/nfs/dbraw/zinc/61/11/52/838611152.db2.gz	UUCHPRDLXBBPHP-NJAFHUGGSA-N	1	0	356.470	1.298	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@]34CC[N@H+](C3)CCC4)C2=O)cc1	ZINC000897556202	839481552	/nfs/dbraw/zinc/48/15/52/839481552.db2.gz	IVBMXAUULVJADM-PXNSSMCTSA-N	1	0	352.438	1.261	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cn3c(n2)COCC3)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088662104	839496548	/nfs/dbraw/zinc/49/65/48/839496548.db2.gz	NHSZZTZIYKVBKZ-PBHICJAKSA-N	1	0	365.437	1.678	20	30		FDEDRO
N#CCOc1cccc(CC(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)c1	ZINC000760328968	839808277	/nfs/dbraw/zinc/80/82/77/839808277.db2.gz	BTLMFHPSLQFWJD-LJQANCHMSA-N	1	0	357.454	1.845	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(=O)[nH]n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105590550	840128044	/nfs/dbraw/zinc/12/80/44/840128044.db2.gz	LSDPRTZOWZKPKB-IIHSZXCVSA-N	1	0	360.458	1.338	20	30		FDEDRO
C[C@@H]1C[NH+](CCC2CCN(C(=O)c3cnn(C)c3C#N)CC2)C[C@@H](C)O1	ZINC000476243929	840213535	/nfs/dbraw/zinc/21/35/35/840213535.db2.gz	AYYDATRGBFCCKM-HUUCEWRRSA-N	1	0	359.474	1.643	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)CCc2ccc3c(c2)OCO3)CC1	ZINC000897675071	840218609	/nfs/dbraw/zinc/21/86/09/840218609.db2.gz	QBAPEXQLPFVYKW-UHFFFAOYSA-N	1	0	373.453	1.183	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105593510	840261076	/nfs/dbraw/zinc/26/10/76/840261076.db2.gz	AQLPOCXIOKDEPU-SOAMZJECSA-N	1	0	360.502	1.966	20	30		FDEDRO
C=CCN(CCOC)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1	ZINC000479704406	844541853	/nfs/dbraw/zinc/54/18/53/844541853.db2.gz	KZXQBHXFSGPADP-UHFFFAOYSA-N	1	0	368.522	1.457	20	30		FDEDRO
N#Cc1cccc([C@@H]2CN(C(=O)N[C@H]3C[NH2+]CCC3(F)F)CCO2)c1	ZINC000842007566	840638679	/nfs/dbraw/zinc/63/86/79/840638679.db2.gz	YWVONYYJLHEOIX-GJZGRUSLSA-N	1	0	350.369	1.638	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(CC)([NH+]2CCC2)CC1	ZINC000898044861	840685573	/nfs/dbraw/zinc/68/55/73/840685573.db2.gz	CCAZJRHZOKUMPC-IRXDYDNUSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C	ZINC000898044808	840685639	/nfs/dbraw/zinc/68/56/39/840685639.db2.gz	BBQSMZBYTPJSSF-RYRKJORJSA-N	1	0	372.469	1.216	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1	ZINC000898050993	840691490	/nfs/dbraw/zinc/69/14/90/840691490.db2.gz	BZKNRWXJDQCQCK-MRXNPFEDSA-N	1	0	362.433	1.416	20	30		FDEDRO
N#Cc1ccc(C2(C(=O)N3CCC(CO)([NH2+]CC4CC4)CC3)CC2)cc1	ZINC000898113874	840781005	/nfs/dbraw/zinc/78/10/05/840781005.db2.gz	MJHXNEPFPQDWOO-UHFFFAOYSA-N	1	0	353.466	1.943	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccccc3O)[C@H]2C(C)C)C[C@H]1O	ZINC001105598461	840814517	/nfs/dbraw/zinc/81/45/17/840814517.db2.gz	QTCZMHBSVLQEEI-RDPOXOKHSA-N	1	0	356.466	1.995	20	30		FDEDRO
CCOC(=O)N1C[C@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)[C@@H](CO)C1	ZINC000898360009	840966588	/nfs/dbraw/zinc/96/65/88/840966588.db2.gz	WSLKIMBKHSECME-AEFFLSMTSA-N	1	0	360.458	1.575	20	30		FDEDRO
C=CCc1cc(C[NH2+][C@@H]2CN(C(=O)OCC)C[C@@H]2CO)cc(OC)c1O	ZINC000898358231	840994489	/nfs/dbraw/zinc/99/44/89/840994489.db2.gz	CCAHKYUCZIDRMD-HZPDHXFCSA-N	1	0	364.442	1.668	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCOC(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105600994	841027932	/nfs/dbraw/zinc/02/79/32/841027932.db2.gz	QKHJUQFDANJTGB-HNBVOPMISA-N	1	0	350.503	1.791	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105601355	841031256	/nfs/dbraw/zinc/03/12/56/841031256.db2.gz	WVXXBCOIWZSVHW-MLYOOKFZSA-N	1	0	356.470	1.388	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COC(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105607389	841225498	/nfs/dbraw/zinc/22/54/98/841225498.db2.gz	QGHGHKNJAFLYGY-JYBIWHBTSA-N	1	0	366.502	1.027	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)n(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105607418	841226429	/nfs/dbraw/zinc/22/64/29/841226429.db2.gz	RCVLZNBZVHKMPM-XSYGEPLQSA-N	1	0	358.486	1.332	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)COC3CCCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105607892	841237939	/nfs/dbraw/zinc/23/79/39/841237939.db2.gz	ZNEOXNSOMUUHOD-RMVXJAJNSA-N	1	0	362.514	1.935	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C)c1	ZINC000989801579	841470942	/nfs/dbraw/zinc/47/09/42/841470942.db2.gz	PGSUEBCUPCRHKF-CCKFTAQKSA-N	1	0	366.465	1.124	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3n[nH]c(C)c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105610193	841596456	/nfs/dbraw/zinc/59/64/56/841596456.db2.gz	IQMCMZQABQSJFY-QQTQMKHKSA-N	1	0	358.486	1.630	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCCOC)C2)[C@@H]1C(C)C	ZINC001105610799	841693671	/nfs/dbraw/zinc/69/36/71/841693671.db2.gz	NRFJUGVUXJRJDL-IZBJGVDFSA-N	1	0	368.518	1.582	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)[C@H]2C)nc1	ZINC000990001450	841781002	/nfs/dbraw/zinc/78/10/02/841781002.db2.gz	KQIXCKBKVLFTGK-INMHGKMJSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@H]1C	ZINC000990003749	841790184	/nfs/dbraw/zinc/79/01/84/841790184.db2.gz	ZRMKTKQYIAKOMG-BBWFWOEESA-N	1	0	358.486	1.878	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)[C@H]2C)c1	ZINC000990004461	841793708	/nfs/dbraw/zinc/79/37/08/841793708.db2.gz	FOZPKZANWAFSLX-RKVPGOIHSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=CCOCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCOC(C)C)C2)[C@H]1C(C)C	ZINC001105612065	841934162	/nfs/dbraw/zinc/93/41/62/841934162.db2.gz	XHEGZNBFQLYKQH-LFGUQSLTSA-N	1	0	368.518	1.580	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCCCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105612362	842025232	/nfs/dbraw/zinc/02/52/32/842025232.db2.gz	ZRKHCSOJRWJINP-LFGUQSLTSA-N	1	0	350.503	1.793	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2CC(=O)OC)CC1	ZINC000476742429	842115001	/nfs/dbraw/zinc/11/50/01/842115001.db2.gz	GSKAKPWLEXJXGY-UHFFFAOYSA-N	1	0	373.453	1.497	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(F)nc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105615003	842228554	/nfs/dbraw/zinc/22/85/54/842228554.db2.gz	NERUUWSJMHUFQO-QQTQMKHKSA-N	1	0	359.445	1.824	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3OCCCO3)[C@H]2C(C)C)C[C@H]1O	ZINC001105619084	842235972	/nfs/dbraw/zinc/23/59/72/842235972.db2.gz	FKXYONJTTKVLLT-YKCBXCCJSA-N	1	0	364.486	1.129	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCn3ccnn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105619748	842239553	/nfs/dbraw/zinc/23/95/53/842239553.db2.gz	QBAYSKARSKCFFE-ZAWLATJESA-N	1	0	361.490	1.210	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3(OC)CCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105626481	842257107	/nfs/dbraw/zinc/25/71/07/842257107.db2.gz	BIKHHSWSXZAVFH-HNBVOPMISA-N	1	0	362.514	1.935	20	30		FDEDRO
CC(C)OCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C#CC3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105626648	842257544	/nfs/dbraw/zinc/25/75/44/842257544.db2.gz	FFRWLHNQIZNRSA-VURPSTOHSA-N	1	0	362.514	1.791	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C#CC(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105626949	842258428	/nfs/dbraw/zinc/25/84/28/842258428.db2.gz	JSGRHCNBRJPQGA-QCFAMHMHSA-N	1	0	362.514	1.815	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(=O)n(C)o3)[C@H]2C(C)C)C[C@H]1O	ZINC001105626810	842258960	/nfs/dbraw/zinc/25/89/60/842258960.db2.gz	HWTKSDVLIZUPME-GNSPCKGOSA-N	1	0	363.458	1.134	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C)nn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105628729	842261229	/nfs/dbraw/zinc/26/12/29/842261229.db2.gz	XTHOREAKFJTIIA-XSYGEPLQSA-N	1	0	356.470	1.388	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3c[nH]cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105636706	842267769	/nfs/dbraw/zinc/26/77/69/842267769.db2.gz	BUPOVMZRFPFTOU-HNBVOPMISA-N	1	0	360.502	1.885	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3[nH]c(=O)[nH]c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105637042	842270539	/nfs/dbraw/zinc/27/05/39/842270539.db2.gz	IOXSDKGKOLHFPA-GTACMHHNSA-N	1	0	360.458	1.027	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc[nH]c3=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105637530	842272180	/nfs/dbraw/zinc/27/21/80/842272180.db2.gz	RIYWEBITJXBCEW-JEWRLFTDSA-N	1	0	360.458	1.338	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]C/C=C/Cl)C2)[C@@H]1C(C)C	ZINC001105632526	842280166	/nfs/dbraw/zinc/28/01/66/842280166.db2.gz	MEEJSPNQMPKZIP-SQXWPSLUSA-N	1	0	368.905	1.745	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)nnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105632697	842280922	/nfs/dbraw/zinc/28/09/22/842280922.db2.gz	NOAFFGRLLPWGER-ANTGDGSKSA-N	1	0	370.497	1.696	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(COCC)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105642391	842305561	/nfs/dbraw/zinc/30/55/61/842305561.db2.gz	JCARTRJBOGLJSS-NEYJZJCJSA-N	1	0	362.514	1.793	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3cncnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105642355	842305993	/nfs/dbraw/zinc/30/59/93/842305993.db2.gz	IZQBQKLCCJBZAA-QCFAMHMHSA-N	1	0	370.497	1.399	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(COC)CCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105643277	842334769	/nfs/dbraw/zinc/33/47/69/842334769.db2.gz	WCXDBKAPXYIZNJ-NEYJZJCJSA-N	1	0	362.514	1.793	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105643413	842335322	/nfs/dbraw/zinc/33/53/22/842335322.db2.gz	XYHKGADCLBNAKN-PHXBYCTMSA-N	1	0	360.502	1.966	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CCCO)C3)[C@H]2C(C)C)cc1	ZINC001105645993	842402460	/nfs/dbraw/zinc/40/24/60/842402460.db2.gz	GHZNQUJGHUVWJR-NXLVEIQXSA-N	1	0	370.493	1.630	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)COC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105646335	842405591	/nfs/dbraw/zinc/40/55/91/842405591.db2.gz	IUCLUFDJYKLZOU-VIPLHTEESA-N	1	0	350.503	1.648	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3=CCOCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105655884	842479216	/nfs/dbraw/zinc/47/92/16/842479216.db2.gz	LUIBBYOQRLSWCT-UKAVVXHISA-N	1	0	360.498	1.713	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@H]1C(C)C	ZINC001105655810	842479231	/nfs/dbraw/zinc/47/92/31/842479231.db2.gz	LEFOWZRQPONTPY-VIPLHTEESA-N	1	0	352.519	1.937	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3conc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105655363	842484314	/nfs/dbraw/zinc/48/43/14/842484314.db2.gz	HRWHTPPLONRNER-XSYGEPLQSA-N	1	0	359.470	1.840	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CCOC)C3)[C@@H]2C(C)C)c1	ZINC001105657598	842495352	/nfs/dbraw/zinc/49/53/52/842495352.db2.gz	ZKPWOGALRDCOKJ-WERVVEIQSA-N	1	0	371.481	1.289	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2cccs2)C[C@@H]1O	ZINC001083470960	842646866	/nfs/dbraw/zinc/64/68/66/842646866.db2.gz	XEKUZSAUYCBUGM-NCOADZHNSA-N	1	0	350.484	1.433	20	30		FDEDRO
C=C(Cl)CN1C[C@@H]2CCN(C(=O)c3cnc4ccccn4c3=O)[C@@H]2C1	ZINC001075956675	842728853	/nfs/dbraw/zinc/72/88/53/842728853.db2.gz	URDVOTAWMHWFPF-DZGCQCFKSA-N	1	0	358.829	1.593	20	30		FDEDRO
Cn1ccc(C(=O)N2CC[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@H]32)cc1=O	ZINC001075960191	842846673	/nfs/dbraw/zinc/84/66/73/842846673.db2.gz	XCSUNNOUMYEDHV-VQTJNVASSA-N	1	0	361.445	1.583	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(CC)nn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105665988	843052379	/nfs/dbraw/zinc/05/23/79/843052379.db2.gz	BXIUHKWFDMGBBB-VYCZESIESA-N	1	0	361.490	1.454	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccnc(OC)c4)[C@@H]3C2)C1=O	ZINC001075979266	843187209	/nfs/dbraw/zinc/18/72/09/843187209.db2.gz	CPXLHIKKMPGUPB-YESZJQIVSA-N	1	0	370.453	1.023	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C	ZINC000462095436	843316432	/nfs/dbraw/zinc/31/64/32/843316432.db2.gz	VGSCVSNURVPMCD-AWEZNQCLSA-N	1	0	369.473	2.545	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(Cc3cc(C#N)ccc3F)C[C@@H]2O)CC[N@@H+]1C	ZINC001083474694	843444786	/nfs/dbraw/zinc/44/47/86/843444786.db2.gz	VQXZJUJQYDFGSY-AITUJVMLSA-N	1	0	374.460	1.089	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(CC)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667132	843493108	/nfs/dbraw/zinc/49/31/08/843493108.db2.gz	OJOIQJYLRWHLSN-DLVXIWMQSA-N	1	0	358.486	1.506	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC(=O)CC2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088772559	843692291	/nfs/dbraw/zinc/69/22/91/843692291.db2.gz	DFUHGILESNKFSR-OLMNPRSZSA-N	1	0	354.454	1.554	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3[nH]cnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667939	843724015	/nfs/dbraw/zinc/72/40/15/843724015.db2.gz	GRAYKLSKIMOFMG-LFGUQSLTSA-N	1	0	358.486	1.250	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)NC2CC[NH+](C3CCOCC3)CC2)cc1	ZINC000898631524	844965890	/nfs/dbraw/zinc/96/58/90/844965890.db2.gz	XBAXYXSFQDNWNH-UHFFFAOYSA-N	1	0	370.453	1.048	20	30		FDEDRO
CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@@H]([NH2+]Cc2cc(C#N)n(C)c2)C1=O	ZINC000480283403	845000722	/nfs/dbraw/zinc/00/07/22/845000722.db2.gz	LFYVNHNUZGTPOS-IAGOWNOFSA-N	1	0	374.485	1.954	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCC(N)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105672732	845209065	/nfs/dbraw/zinc/20/90/65/845209065.db2.gz	BBKQPXIDFFIBCX-OHDICMOHSA-N	1	0	351.491	1.184	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCOCCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105674401	845466881	/nfs/dbraw/zinc/46/68/81/845466881.db2.gz	WSKPZNCAXBHGGQ-JYBIWHBTSA-N	1	0	368.518	1.582	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCC(N)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105674486	845496049	/nfs/dbraw/zinc/49/60/49/845496049.db2.gz	YAMVUGAYENTHNM-LTDCPUDJSA-N	1	0	351.491	1.184	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCn3cccc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105675462	845703311	/nfs/dbraw/zinc/70/33/11/845703311.db2.gz	OZXLUZTYPOTJCU-RMVXJAJNSA-N	1	0	357.498	1.868	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCCOCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105676557	845949895	/nfs/dbraw/zinc/94/98/95/845949895.db2.gz	XICKPRHDHDGOMM-HNBVOPMISA-N	1	0	366.502	1.029	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCCOC)C2	ZINC001112281497	861637635	/nfs/dbraw/zinc/63/76/35/861637635.db2.gz	LWYZBBARSYSVBE-UWVAXJGDSA-N	1	0	365.518	1.712	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(Cc3cccc(C#N)c3)C[C@@H]2O)C1	ZINC001083521638	846092200	/nfs/dbraw/zinc/09/22/00/846092200.db2.gz	BIAOSHGDEZLFQX-ZCNNSNEGSA-N	1	0	370.497	1.197	20	30		FDEDRO
C#CCCN1CCN(C(=O)[C@H](C)[C@H](O)CN(C)C(=O)OC(C)(C)C)CC1	ZINC000900474644	847521891	/nfs/dbraw/zinc/52/18/91/847521891.db2.gz	SUOYKMRTQJJDCV-HZPDHXFCSA-N	1	0	367.490	1.018	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3C[N@H+](CCCN4CCCC4=O)C[C@H]32)c1	ZINC001076223386	847592552	/nfs/dbraw/zinc/59/25/52/847592552.db2.gz	WRWYRTAZLWDCHO-PKOBYXMFSA-N	1	0	366.465	1.222	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCCCC(=O)N4)[C@@H]3C2)cc1	ZINC001076230001	847615751	/nfs/dbraw/zinc/61/57/51/847615751.db2.gz	CWMICUUNLLPCDZ-GBESFXJTSA-N	1	0	366.465	1.650	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCCCC(=O)N4)[C@@H]3C2)cc1	ZINC001076230002	847615892	/nfs/dbraw/zinc/61/58/92/847615892.db2.gz	CWMICUUNLLPCDZ-IPMKNSEASA-N	1	0	366.465	1.650	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3CN(Cc4ccccc4C#N)C[C@H]32)C1	ZINC001076242627	847665645	/nfs/dbraw/zinc/66/56/45/847665645.db2.gz	LXVAOJDRHZNEJW-FFZOFVMBSA-N	1	0	352.482	1.933	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4cc(C(N)=O)c[nH]4)[C@@H]3C2)cc1	ZINC001076406366	848046093	/nfs/dbraw/zinc/04/60/93/848046093.db2.gz	GCOVJMKSGUEWON-MAUKXSAKSA-N	1	0	363.421	1.332	20	30		FDEDRO
C=C(Br)CN1C[C@@H]2CCN(C(=O)c3cccn(C)c3=O)[C@@H]2C1	ZINC001076473515	848233006	/nfs/dbraw/zinc/23/30/06/848233006.db2.gz	AMLUTQASGGKONA-GXTWGEPZSA-N	1	0	366.259	1.440	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCN(C(C)C)C4=O)C[C@H]32)nc1	ZINC001076476014	848241104	/nfs/dbraw/zinc/24/11/04/848241104.db2.gz	QKVVZNMWXCELBH-YTQUADARSA-N	1	0	366.465	1.219	20	30		FDEDRO
COc1ccc(CC(N)=NOCC(=O)NC2CC[NH+](C3CC3)CC2)cc1	ZINC000151290828	861908625	/nfs/dbraw/zinc/90/86/25/861908625.db2.gz	KNXDOMNQCVPIQH-UHFFFAOYSA-N	1	0	360.458	1.270	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(Cc4cncc(F)c4)C[C@H]32)CC1	ZINC001076604384	848552719	/nfs/dbraw/zinc/55/27/19/848552719.db2.gz	BTLVEXDENJTIAR-AZUAARDMSA-N	1	0	370.472	1.599	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN([C@H](C)c4ncc(C)o4)C[C@H]32)CC1	ZINC001076604870	848554783	/nfs/dbraw/zinc/55/47/83/848554783.db2.gz	VLDYHCUFWNRNBQ-NZSAHSFTSA-N	1	0	370.497	1.922	20	30		FDEDRO
CN1C[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)CCC1=O	ZINC001076609334	848562261	/nfs/dbraw/zinc/56/22/61/848562261.db2.gz	GPYKIHUJFJAMTK-GBESFXJTSA-N	1	0	366.465	1.459	20	30		FDEDRO
CC#CCCNC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000483041543	849178604	/nfs/dbraw/zinc/17/86/04/849178604.db2.gz	NWXASTBMMZYVRL-GOSISDBHSA-N	1	0	356.470	1.597	20	30		FDEDRO
Cc1cc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)c(C)c1	ZINC001076906272	849300549	/nfs/dbraw/zinc/30/05/49/849300549.db2.gz	TVTGFCNZXDFBSB-RTBURBONSA-N	1	0	352.438	1.787	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(CC(=O)NC2(C#N)CCCCC2)CC1	ZINC000483206896	849380724	/nfs/dbraw/zinc/38/07/24/849380724.db2.gz	YDTXMDNHVWRUNF-UHFFFAOYSA-N	1	0	357.458	1.555	20	30		FDEDRO
Cc1cnccc1CC(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O	ZINC001077000492	849501640	/nfs/dbraw/zinc/50/16/40/849501640.db2.gz	DGBMKOZRQKCZHR-RTBURBONSA-N	1	0	350.422	1.166	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CF)cc2)C[C@H]1O	ZINC001077019478	849553944	/nfs/dbraw/zinc/55/39/44/849553944.db2.gz	WNXIKYDDNNJXSW-MKXGPGLRSA-N	1	0	362.445	1.799	20	30		FDEDRO
CN(Cc1noc(C2CC3(C2)C[NH2+]C[C@H]3C#N)n1)C(=O)c1ccccc1	ZINC000904094882	850968423	/nfs/dbraw/zinc/96/84/23/850968423.db2.gz	UWRYXVCGCMLQOF-XAUUPUKJSA-N	1	0	351.410	1.949	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H](C[C@@H]2COCCO2)C(F)(F)F)CC1	ZINC000668369761	851049026	/nfs/dbraw/zinc/04/90/26/851049026.db2.gz	DPTYPHVRTWLNFD-ZIAGYGMSSA-N	1	0	350.381	1.737	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CN(CN3CC(=O)N(Cc4ccc(C#N)cc4)C3=O)C[C@]2(C)C1	ZINC000904436446	851219356	/nfs/dbraw/zinc/21/93/56/851219356.db2.gz	LHHUPVMHWPADBF-XLIONFOSSA-N	1	0	367.453	1.163	20	30		FDEDRO
N#Cc1ccc([C@@H]2CN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CCO2)cc1	ZINC000904520332	851272436	/nfs/dbraw/zinc/27/24/36/851272436.db2.gz	QMEWMLPCWZYFAU-UONOGXRCSA-N	1	0	356.348	1.921	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1	ZINC000904958471	851553324	/nfs/dbraw/zinc/55/33/24/851553324.db2.gz	HBUVXEOHAHEJMS-INIZCTEOSA-N	1	0	360.483	1.569	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1	ZINC000904986372	851586525	/nfs/dbraw/zinc/58/65/25/851586525.db2.gz	JJTVKWDLLJNVSN-GJZGRUSLSA-N	1	0	360.483	1.426	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)CC1(O)CCC(C(=O)OCC)CC1	ZINC000905292717	851798406	/nfs/dbraw/zinc/79/84/06/851798406.db2.gz	XYCSLNZRESPVGG-FNYPPERVSA-N	1	0	355.475	1.403	20	30		FDEDRO
C#CC[C@@H](CCOC)[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1	ZINC000905398835	851904767	/nfs/dbraw/zinc/90/47/67/851904767.db2.gz	KHYQSKVQGOMHGB-LSDHHAIUSA-N	1	0	360.520	1.006	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1occc1CS(=O)(=O)c1ccccc1	ZINC000913516007	862297459	/nfs/dbraw/zinc/29/74/59/862297459.db2.gz	WJRLLFFOLQFEDK-UHFFFAOYSA-N	1	0	360.435	1.548	20	30		FDEDRO
COc1cc(/C=C/C(=O)NCC#CC[NH+](C)C)cc(Br)c1O	ZINC000913516440	862299149	/nfs/dbraw/zinc/29/91/49/862299149.db2.gz	QFCWZNCGOBFAMK-VOTSOKGWSA-N	1	0	367.243	1.858	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1	ZINC000913518708	862302886	/nfs/dbraw/zinc/30/28/86/862302886.db2.gz	YAKSJOBBRKDLTF-INIZCTEOSA-N	1	0	367.453	1.096	20	30		FDEDRO
C=C(C)C[C@H](CO)[NH2+]C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1	ZINC000905454161	851957799	/nfs/dbraw/zinc/95/77/99/851957799.db2.gz	RRPRSOPUEAAJJC-MJGOQNOKSA-N	1	0	363.502	1.095	20	30		FDEDRO
CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC#CC[NH+](C)C	ZINC000913518151	862303355	/nfs/dbraw/zinc/30/33/55/862303355.db2.gz	GDAYSHIOUNSRJP-VQIMIIECSA-N	1	0	355.482	1.667	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@@H]1CCCN(c2ncnc3sccc32)C1	ZINC000913519192	862304649	/nfs/dbraw/zinc/30/46/49/862304649.db2.gz	RKFXNWFGCMKGDC-CQSZACIVSA-N	1	0	357.483	1.589	20	30		FDEDRO
C[C@@H]1OC[C@]2(CC[C@H](C[NH2+]C[C@H](O)COc3ccccc3C#N)O2)[C@H]1C	ZINC000905487192	851987948	/nfs/dbraw/zinc/98/79/48/851987948.db2.gz	SFZDXZXBABHLLB-NQHUSQPMSA-N	1	0	360.454	1.860	20	30		FDEDRO
C[C@@H]1C[C@@]2(CC[C@@H](C[NH2+]CCS(=O)(=O)c3ccc(C#N)cc3)O2)CO1	ZINC000905488375	851990149	/nfs/dbraw/zinc/99/01/49/851990149.db2.gz	WSSAREZREYXVDZ-HFTRVMKXSA-N	1	0	364.467	1.648	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1	ZINC000905493365	851993701	/nfs/dbraw/zinc/99/37/01/851993701.db2.gz	SPNQVLMSNXDWTO-XCRHUMRWSA-N	1	0	366.412	1.033	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H](CO)CCc2ccccc2)c1	ZINC000905543497	852005347	/nfs/dbraw/zinc/00/53/47/852005347.db2.gz	OXGODIUSIQGQIS-GOSISDBHSA-N	1	0	358.463	1.915	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c(OC)c1	ZINC000905572361	852045032	/nfs/dbraw/zinc/04/50/32/852045032.db2.gz	PWNNJQZIBRKOQX-YLAKUSLOSA-N	1	0	363.454	1.557	20	30		FDEDRO
CN(C)[C@@H](CC[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C(F)(F)F	ZINC000905576149	852049403	/nfs/dbraw/zinc/04/94/03/852049403.db2.gz	KWNXILGRZOPRDD-AWEZNQCLSA-N	1	0	363.405	1.804	20	30		FDEDRO
C[NH+](C)CC[C@H](NC[C@H](O)COc1ccccc1C#N)c1cccnc1	ZINC000905550876	852053312	/nfs/dbraw/zinc/05/33/12/852053312.db2.gz	JIQUGPIWHZGWLR-OALUTQOASA-N	1	0	354.454	1.976	20	30		FDEDRO
CC1(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CCC2(CC1)OCCO2	ZINC000905657774	852125596	/nfs/dbraw/zinc/12/55/96/852125596.db2.gz	XNCAVKPVMUGQGL-INIZCTEOSA-N	1	0	352.475	1.971	20	30		FDEDRO
N#Cc1cc(Cl)cc(Cn2cc(CNC(=O)C3CC[NH2+]CC3)nn2)c1	ZINC000905833746	852292822	/nfs/dbraw/zinc/29/28/22/852292822.db2.gz	GZMMYQBENXHQSQ-UHFFFAOYSA-N	1	0	358.833	1.467	20	30		FDEDRO
C[NH+]1CCN(c2cc(C(=O)N[C@H](C#N)c3ccc(F)cc3)ccn2)CC1	ZINC000485749031	852826215	/nfs/dbraw/zinc/82/62/15/852826215.db2.gz	XLWWOMDGXVVTJP-QGZVFWFLSA-N	1	0	353.401	1.967	20	30		FDEDRO
COCc1ccccc1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1O	ZINC001083599689	852925224	/nfs/dbraw/zinc/92/52/24/852925224.db2.gz	HEVIAMJPNBJFJB-UXHICEINSA-N	1	0	365.433	1.680	20	30		FDEDRO
Cc1cc(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc(C)c1C#N	ZINC000906504293	852972679	/nfs/dbraw/zinc/97/26/79/852972679.db2.gz	DQHZARLDLQRWOV-SFHVURJKSA-N	1	0	356.470	1.848	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)cc1	ZINC000906735324	853237044	/nfs/dbraw/zinc/23/70/44/853237044.db2.gz	MQLZLSGFRSIDIO-INIZCTEOSA-N	1	0	358.442	1.189	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(F)c1)S(=O)(=O)c1ccc(C#N)cn1	ZINC000906873185	853421368	/nfs/dbraw/zinc/42/13/68/853421368.db2.gz	HQCQVQPITSENJP-UHFFFAOYSA-N	1	0	362.430	1.845	20	30		FDEDRO
C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000486057754	853561962	/nfs/dbraw/zinc/56/19/62/853561962.db2.gz	ZNZXDXBWDDHZIO-QAPCUYQASA-N	1	0	363.465	1.953	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1CN(CC(=O)N(CC)CC(=C)C)C[C@H]1OC	ZINC001212146011	862479358	/nfs/dbraw/zinc/47/93/58/862479358.db2.gz	GZNUIIUHYOGGLD-QZTJIDSGSA-N	1	0	363.502	1.420	20	30		FDEDRO
C=CCC1(C(=O)NC[C@](C)(O)C[NH+](C)C)CN(C(=O)OC(C)(C)C)C1	ZINC000907116173	853824832	/nfs/dbraw/zinc/82/48/32/853824832.db2.gz	OENLESNZUUHFQX-KRWDZBQOSA-N	1	0	355.479	1.228	20	30		FDEDRO
O=C(C[C@@H](n1ccnc1)C(F)(F)F)NCc1ccc(C(=O)NO)cc1	ZINC000907812041	854679453	/nfs/dbraw/zinc/67/94/53/854679453.db2.gz	HGUXJWILSVQISN-GFCCVEGCSA-N	1	0	356.304	1.812	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O	ZINC000907884335	854757983	/nfs/dbraw/zinc/75/79/83/854757983.db2.gz	ZNDJAPVFCMBZAZ-GOSISDBHSA-N	1	0	360.414	1.001	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21	ZINC000908205743	855193041	/nfs/dbraw/zinc/19/30/41/855193041.db2.gz	QTKGENZJXIVQKO-HZPDHXFCSA-N	1	0	357.454	1.530	20	30		FDEDRO
COc1ccc(C)cc1C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O	ZINC001083616241	855291074	/nfs/dbraw/zinc/29/10/74/855291074.db2.gz	FLFZNTXQJIEGAV-UXHICEINSA-N	1	0	364.445	1.830	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H](C)n1cnc2c1ncnc2N)C(C)C	ZINC000668683334	855429441	/nfs/dbraw/zinc/42/94/41/855429441.db2.gz	VGTYCWSDDZHMFJ-GJZGRUSLSA-N	1	0	371.489	1.784	20	30		FDEDRO
CN(C)c1ccc([C@@H](CNS(=O)(=O)c2cncc(C#N)c2)[NH+](C)C)cc1	ZINC000908459196	855443772	/nfs/dbraw/zinc/44/37/72/855443772.db2.gz	AUGLQYHPPADFFW-GOSISDBHSA-N	1	0	373.482	1.600	20	30		FDEDRO
CN(C)c1ccc([C@H](CNS(=O)(=O)c2cccnc2C#N)[NH+](C)C)cc1	ZINC000908460839	855446569	/nfs/dbraw/zinc/44/65/69/855446569.db2.gz	ZXTBUMJXNQGDFV-KRWDZBQOSA-N	1	0	373.482	1.600	20	30		FDEDRO
C#C[C@H](NC(=O)C1CN(C)CC[N@H+](C)C1)c1ccc(Br)cc1	ZINC000908517121	855511820	/nfs/dbraw/zinc/51/18/20/855511820.db2.gz	MTMBSJLBEKWLPX-INIZCTEOSA-N	1	0	364.287	1.733	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC1	ZINC000908593454	855596321	/nfs/dbraw/zinc/59/63/21/855596321.db2.gz	VZXXGMQAXDFALN-LJQANCHMSA-N	1	0	370.497	1.879	20	30		FDEDRO
C=CCn1c(-c2ncon2)nnc1N1CC[NH+](CCc2cccs2)CC1	ZINC000908729109	855723569	/nfs/dbraw/zinc/72/35/69/855723569.db2.gz	KYJQKPLHVRGOGE-UHFFFAOYSA-N	1	0	371.470	1.940	20	30		FDEDRO
C[NH+](C)CCN1C[C@H](C(=O)N[C@H](CCCC#N)c2ccccc2)CC1=O	ZINC000487189031	856101876	/nfs/dbraw/zinc/10/18/76/856101876.db2.gz	UVEOTRUWEPADLT-QZTJIDSGSA-N	1	0	356.470	1.948	20	30		FDEDRO
CC(C)(Oc1ccc(C#N)cc1)C(=O)NCC(=O)NCC[NH+]1CCCCC1	ZINC000909318696	856404078	/nfs/dbraw/zinc/40/40/78/856404078.db2.gz	MKVCECFFVIQTNI-UHFFFAOYSA-N	1	0	372.469	1.434	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1	ZINC000487783748	856729430	/nfs/dbraw/zinc/72/94/30/856729430.db2.gz	QHAMTSHFNRRINX-ZWKOTPCHSA-N	1	0	364.534	1.476	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1	ZINC000910563762	857322247	/nfs/dbraw/zinc/32/22/47/857322247.db2.gz	RZOVVYHNESAVAD-UHFFFAOYSA-N	1	0	374.510	1.913	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](OC)C2CCCCC2)CC1	ZINC000668835712	857453270	/nfs/dbraw/zinc/45/32/70/857453270.db2.gz	IDAUXUGBWNMOFK-KRWDZBQOSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)N(c1ccc(C#N)cn1)[C@H]1CCC[NH2+]C1	ZINC000910858368	857787782	/nfs/dbraw/zinc/78/77/82/857787782.db2.gz	MYEHGEBLOWAROF-INIZCTEOSA-N	1	0	369.469	1.757	20	30		FDEDRO
C#CCN(C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC[NH+](C)CC1	ZINC000910884314	857834807	/nfs/dbraw/zinc/83/48/07/857834807.db2.gz	BEWALRRGIKCUIT-UHFFFAOYSA-N	1	0	370.497	1.267	20	30		FDEDRO
C#CCN(C(=O)C(=O)N(C)Cc1ccc(F)c(F)c1)C1CC[NH+](C)CC1	ZINC000910886904	857839880	/nfs/dbraw/zinc/83/98/80/857839880.db2.gz	XLHXKZAFACTDLM-UHFFFAOYSA-N	1	0	363.408	1.479	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1C[C@@H](C)OC2(CCCC2)C1)C1CC[NH+](C)CC1	ZINC000910887766	857842228	/nfs/dbraw/zinc/84/22/28/857842228.db2.gz	UVAHVNHPSKTQSF-MRXNPFEDSA-N	1	0	361.486	1.103	20	30		FDEDRO
C#CCN(C(=O)C(=O)N(C)Cc1cc(Cl)cn1C)C1CC[NH+](C)CC1	ZINC000910888321	857842696	/nfs/dbraw/zinc/84/26/96/857842696.db2.gz	XVLHJUZECXGMOY-UHFFFAOYSA-N	1	0	364.877	1.193	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2	ZINC000910906125	857876577	/nfs/dbraw/zinc/87/65/77/857876577.db2.gz	KCCGYJISUZOQIC-SFHVURJKSA-N	1	0	360.483	1.522	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC(=O)N(C)[C@H](C)C1	ZINC000669334328	862997915	/nfs/dbraw/zinc/99/79/15/862997915.db2.gz	CJNBLPRIJMBDNP-OAGGEKHMSA-N	1	0	374.489	1.057	20	30		FDEDRO
C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1	ZINC000669333347	863002040	/nfs/dbraw/zinc/00/20/40/863002040.db2.gz	NAPTWHQGWQFQTL-OAHLLOKOSA-N	1	0	370.505	1.960	20	30		FDEDRO
CC[NH+]1CCC(N2CCCN(C(=O)c3cccc(C#CCO)c3)CC2)CC1	ZINC000911190003	858268784	/nfs/dbraw/zinc/26/87/84/858268784.db2.gz	DXJJFMFPOXNIPL-UHFFFAOYSA-N	1	0	369.509	1.663	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)Cc1cnn(C)c1	ZINC000669336632	863011721	/nfs/dbraw/zinc/01/17/21/863011721.db2.gz	OGWRFDRURYORRE-SJORKVTESA-N	1	0	371.489	1.760	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC(C(N)=O)CC1	ZINC000669336722	863013164	/nfs/dbraw/zinc/01/31/64/863013164.db2.gz	QXODQDGSNXJUAI-CVEARBPZSA-N	1	0	374.489	1.092	20	30		FDEDRO
C=CCC[C@@H](NC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1)c1ccccc1	ZINC000911230671	858378785	/nfs/dbraw/zinc/37/87/85/858378785.db2.gz	QFXBMQMOMUTUIZ-QGZVFWFLSA-N	1	0	359.470	1.776	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N1CCC(C[NH3+])(c2ccccc2)CC1	ZINC000911326849	858467601	/nfs/dbraw/zinc/46/76/01/858467601.db2.gz	ATYAOBQSWWVDQP-UHFFFAOYSA-N	1	0	359.470	1.214	20	30		FDEDRO
C=C1CCC(CNC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1	ZINC000916073346	881345774	/nfs/dbraw/zinc/34/57/74/881345774.db2.gz	TXPBDQZWKQHUTJ-KRWDZBQOSA-N	1	0	350.507	1.975	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1	ZINC000911393182	858579555	/nfs/dbraw/zinc/57/95/55/858579555.db2.gz	VXVRHZAQBCCYIX-SFHVURJKSA-N	1	0	371.481	1.476	20	30		FDEDRO
C=CC[C@H]1N(C(=O)C(=O)NCCN2CCC([NH3+])CC2)CCCC1(C)C	ZINC000911413861	858603649	/nfs/dbraw/zinc/60/36/49/858603649.db2.gz	KDACDHCXEFSANX-MRXNPFEDSA-N	1	0	350.507	1.119	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1C#N	ZINC000911433942	858615920	/nfs/dbraw/zinc/61/59/20/858615920.db2.gz	FOJURVNECDYFCS-ZIAGYGMSSA-N	1	0	368.359	1.221	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21	ZINC000911576828	858801480	/nfs/dbraw/zinc/80/14/80/858801480.db2.gz	BAEZADZVQZSWRO-UZLBHIALSA-N	1	0	373.453	1.020	20	30		FDEDRO
C=CCCCCNC(=O)C(=O)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21	ZINC000911582337	858810830	/nfs/dbraw/zinc/81/08/30/858810830.db2.gz	PVVBHFKRFAJVJU-UZLBHIALSA-N	1	0	357.454	1.831	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CC[NH2+][C@H]([C@H]4CCCO4)C3)CC2)c1	ZINC000911635145	858871400	/nfs/dbraw/zinc/87/14/00/858871400.db2.gz	IWPXLRKJZMGNCU-FGTMMUONSA-N	1	0	369.469	1.149	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1	ZINC000668884721	858892565	/nfs/dbraw/zinc/89/25/65/858892565.db2.gz	PBCUXMKJNORMKP-MRXNPFEDSA-N	1	0	359.470	1.857	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)CCC[C@H]12	ZINC000991381613	859727990	/nfs/dbraw/zinc/72/79/90/859727990.db2.gz	DKHBZBPSMOAUJL-FQLMCAECSA-N	1	0	360.376	1.469	20	30		FDEDRO
CON=C(C(=O)N1[C@H](C)CCC[C@@H]1CC[NH+](C)C)c1csc(N)n1	ZINC000912648829	859986662	/nfs/dbraw/zinc/98/66/62/859986662.db2.gz	KPGBDTLUTIDJIO-VXGBXAGGSA-N	1	0	353.492	1.797	20	30		FDEDRO
N#Cc1ccnc(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)c1	ZINC000496534083	881506123	/nfs/dbraw/zinc/50/61/23/881506123.db2.gz	JFNFOMUEMKJVAU-UHFFFAOYSA-N	1	0	365.441	1.075	20	30		FDEDRO
COC(=O)c1cc(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)ccc1OC	ZINC000912761394	860183143	/nfs/dbraw/zinc/18/31/43/860183143.db2.gz	RFFOENWLIOLHJG-INIZCTEOSA-N	1	0	370.405	1.883	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCO[C@H](C(C)C)C1	ZINC000669034575	860852243	/nfs/dbraw/zinc/85/22/43/860852243.db2.gz	RVIALKNGUCNLHM-IKGGRYGDSA-N	1	0	361.490	1.861	20	30		FDEDRO
N#Cc1cnn(-c2ccc(C(=O)N3CCC([NH+]4CCC4)CC3)cc2)c1N	ZINC000912880938	860959350	/nfs/dbraw/zinc/95/93/50/860959350.db2.gz	JRMAAARJXXKXBA-UHFFFAOYSA-N	1	0	350.426	1.636	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@@H]([NH+]2CCC2)C1	ZINC000912921448	861027878	/nfs/dbraw/zinc/02/78/78/861027878.db2.gz	DHYXVSWZOWBWFQ-MRXNPFEDSA-N	1	0	352.442	1.457	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccs2)C[C@H]1C	ZINC001105781420	863130299	/nfs/dbraw/zinc/13/02/99/863130299.db2.gz	BUUQXCDKXCOBLF-HUUCEWRRSA-N	1	0	362.499	1.808	20	30		FDEDRO
CCO[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC#CCOC)C1)C(C)C	ZINC001112101200	863279829	/nfs/dbraw/zinc/27/98/29/863279829.db2.gz	CGRCZBPICVUXHQ-KFWWJZLASA-N	1	0	364.408	1.676	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2coc(CCC)n2)C[C@H]1C	ZINC001106873090	881663493	/nfs/dbraw/zinc/66/34/93/881663493.db2.gz	SFQQEHYRRSKEBV-QLFBSQMISA-N	1	0	360.458	1.063	20	30		FDEDRO
CCc1noc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)CSCC#N)C[C@H]2C)n1	ZINC001105850666	863489485	/nfs/dbraw/zinc/48/94/85/863489485.db2.gz	SUOHQPKELBCRKX-FRRDWIJNSA-N	1	0	351.476	1.634	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)SC)C[C@H]1C	ZINC001105851608	863490710	/nfs/dbraw/zinc/49/07/10/863490710.db2.gz	JLDSFGIPIVQGPK-RBSFLKMASA-N	1	0	354.520	1.184	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]Cc1cn(C(C)(C)C)nn1	ZINC001105848328	863494020	/nfs/dbraw/zinc/49/40/20/863494020.db2.gz	WHLFHQXDHXLHOE-ZIAGYGMSSA-N	1	0	364.519	1.474	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]Cc1ncnn1C(C)(C)C	ZINC001105849003	863495862	/nfs/dbraw/zinc/49/58/62/863495862.db2.gz	AQZYWJOGURILBK-ZIAGYGMSSA-N	1	0	364.519	1.474	20	30		FDEDRO
CC(C)Cn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C	ZINC001105849412	863498519	/nfs/dbraw/zinc/49/85/19/863498519.db2.gz	SODRUGAZVPQWEM-HUUCEWRRSA-N	1	0	364.519	1.375	20	30		FDEDRO
C[C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001105868184	863557898	/nfs/dbraw/zinc/55/78/98/863557898.db2.gz	IIYYAZDMDGRWPD-RDTXWAMCSA-N	1	0	354.454	1.269	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cnns2)C[C@H]1C	ZINC001105874488	863582482	/nfs/dbraw/zinc/58/24/82/863582482.db2.gz	LASAFKBUEXMIFT-ZIAGYGMSSA-N	1	0	363.487	1.036	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)C#CC(C)(C)C)CC[N@@H+]1C	ZINC001061575414	881690023	/nfs/dbraw/zinc/69/00/23/881690023.db2.gz	QDHCLDOWQNBMHS-YESZJQIVSA-N	1	0	363.502	1.110	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)OC)C[C@H]1C	ZINC001105906703	863870824	/nfs/dbraw/zinc/87/08/24/863870824.db2.gz	PEFVIJWRTPIMTE-BRWVUGGUSA-N	1	0	353.507	1.520	20	30		FDEDRO
CC(C)N1CC[NH+](C2CCN(C(=O)COc3cccc(C#N)c3)CC2)CC1	ZINC000761039407	863875937	/nfs/dbraw/zinc/87/59/37/863875937.db2.gz	WQFUDLSRKPRUJK-UHFFFAOYSA-N	1	0	370.497	1.954	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1OCC#N)[NH+]1CCCCC1	ZINC000761047355	863930087	/nfs/dbraw/zinc/93/00/87/863930087.db2.gz	GSOUHXDVSDIJCA-ZDUSSCGKSA-N	1	0	362.405	1.657	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)OC)C[C@H]1C	ZINC001105915026	863973036	/nfs/dbraw/zinc/97/30/36/863973036.db2.gz	OUMJCFUGSFVWMT-BRWVUGGUSA-N	1	0	351.491	1.296	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCCOC)C[C@H]1C	ZINC001105915187	863973703	/nfs/dbraw/zinc/97/37/03/863973703.db2.gz	WDCADTBIQPWZER-QZTJIDSGSA-N	1	0	367.534	1.912	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2CC(F)(F)F)[C@H](C)C1	ZINC001105929583	864069114	/nfs/dbraw/zinc/06/91/14/864069114.db2.gz	YABLQDPBJCHTIW-VXGBXAGGSA-N	1	0	360.384	1.386	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCC(C)CC2)[C@H](C)C1	ZINC001105938738	864133496	/nfs/dbraw/zinc/13/34/96/864133496.db2.gz	XVUVPUFMFKQAFC-QLOLRVAOSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(C)(C)CC)[C@H](C)C1	ZINC001105938735	864133532	/nfs/dbraw/zinc/13/35/32/864133532.db2.gz	XOBDUUFJSMBLJJ-OWCLPIDISA-N	1	0	353.507	1.566	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(CC)CC)[C@H](C)C1	ZINC001105938632	864133540	/nfs/dbraw/zinc/13/35/40/864133540.db2.gz	VBEUZUWZRCJKTB-OWCLPIDISA-N	1	0	353.507	1.566	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2cc(CO)ccc2F)[C@H](C)C1	ZINC001105941719	864152157	/nfs/dbraw/zinc/15/21/57/864152157.db2.gz	JEDKHKUFGPVLDQ-RHSMWYFYSA-N	1	0	350.434	1.705	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C(=O)NC)cc2)[C@H](C)C1	ZINC001105942201	864169001	/nfs/dbraw/zinc/16/90/01/864169001.db2.gz	BMUMGAZHUIBDNW-CRAIPNDOSA-N	1	0	359.470	1.433	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccc(F)cc2)[C@H](C)C1	ZINC001105942213	864169552	/nfs/dbraw/zinc/16/95/52/864169552.db2.gz	CJAJKMJGSUUUAI-HUUCEWRRSA-N	1	0	363.433	1.651	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)Cc2ccccc2)[C@H](C)C1	ZINC001105946193	864188864	/nfs/dbraw/zinc/18/88/64/864188864.db2.gz	NFHKQFFXUOMSPP-LZLYRXPVSA-N	1	0	356.470	1.489	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCc3ccccc32)[C@H](C)C1	ZINC001105952472	864212919	/nfs/dbraw/zinc/21/29/19/864212919.db2.gz	YVQLZYIPBQPYFX-ZMSDIMECSA-N	1	0	354.454	1.419	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC2CCC2)C[C@H]1C	ZINC001105981016	864324357	/nfs/dbraw/zinc/32/43/57/864324357.db2.gz	LTKMZADZQKXSMR-IJEWVQPXSA-N	1	0	364.490	1.261	20	30		FDEDRO
C=CCN1C(=O)N(C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C(=O)[C@H]1Cc1ccccc1	ZINC000761199840	864325984	/nfs/dbraw/zinc/32/59/84/864325984.db2.gz	KQICRBWQJUFTGC-GBESFXJTSA-N	1	0	369.465	1.911	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]CCCN2CCCC2=O)[C@H](C)C1	ZINC001105984497	864342568	/nfs/dbraw/zinc/34/25/68/864342568.db2.gz	MEKYEXXCPJBULF-QZTJIDSGSA-N	1	0	365.518	1.666	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]C[C@@H](O)Cc1ccccc1	ZINC001105985208	864345549	/nfs/dbraw/zinc/34/55/49/864345549.db2.gz	DRWDEHZEIWTCAD-LZQZEXGQSA-N	1	0	366.465	1.788	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)COC(=O)C#Cc2ccc3c(c2)OCO3)CC1	ZINC000761212453	864369342	/nfs/dbraw/zinc/36/93/42/864369342.db2.gz	OKNXTRQCTFRVNZ-UHFFFAOYSA-N	1	0	372.421	1.299	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CCn3nc(C)nc3C)[C@@H]2C)c1	ZINC001088846523	864564822	/nfs/dbraw/zinc/56/48/22/864564822.db2.gz	SPRGZAZJEWWBKO-ACJLOTCBSA-N	1	0	352.442	1.164	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]CC(=O)NCC(C)(C)C	ZINC001106015556	864654678	/nfs/dbraw/zinc/65/46/78/864654678.db2.gz	GKXXQVLMKUZYST-ZIAGYGMSSA-N	1	0	359.474	1.346	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C)C(=O)NC1CCCC1	ZINC001106021169	864724448	/nfs/dbraw/zinc/72/44/48/864724448.db2.gz	SEJSSVVDJKVHTL-QLFBSQMISA-N	1	0	371.485	1.631	20	30		FDEDRO
CCN(C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C)C1CC1	ZINC001106021162	864725238	/nfs/dbraw/zinc/72/52/38/864725238.db2.gz	RZWDCEUANZNNQJ-ZIAGYGMSSA-N	1	0	357.458	1.195	20	30		FDEDRO
Cc1noc(CCC[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)n1	ZINC001106025795	864813576	/nfs/dbraw/zinc/81/35/76/864813576.db2.gz	IFEYVVNYOBQFED-IUODEOHRSA-N	1	0	356.430	1.508	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2nnnn2C2CC2)[C@H](C)C1	ZINC001106025642	864814110	/nfs/dbraw/zinc/81/41/10/864814110.db2.gz	ARSVKFVZMYPBEY-OWCLPIDISA-N	1	0	358.490	1.947	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088861040	864822975	/nfs/dbraw/zinc/82/29/75/864822975.db2.gz	MTFVMTVCANGMKI-RNJTYBCJSA-N	1	0	354.454	1.362	20	30		FDEDRO
C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CC[NH+](CC3CC3)CC2)C1=O	ZINC000170637859	864852494	/nfs/dbraw/zinc/85/24/94/864852494.db2.gz	BNFBXCRUXBJEPO-FQEVSTJZSA-N	1	0	367.453	1.310	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(F)c2F)[C@H](C)C1	ZINC001106029142	864875348	/nfs/dbraw/zinc/87/53/48/864875348.db2.gz	ICPROOSULORBOB-UKRRQHHQSA-N	1	0	363.408	1.288	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2cc3ccccc3o2)[C@H](C)C1	ZINC001106029461	864882993	/nfs/dbraw/zinc/88/29/93/864882993.db2.gz	SNBCRMBYHHOBGW-NVXWUHKLSA-N	1	0	367.449	1.756	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCc3ccccc32)[C@H](C)C1	ZINC001106034366	864911139	/nfs/dbraw/zinc/91/11/39/864911139.db2.gz	CEHJVIASBZGGHI-SUMDDJOVSA-N	1	0	353.466	1.498	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(CCC)cc2)[C@H](C)C1	ZINC001106034785	864915400	/nfs/dbraw/zinc/91/54/00/864915400.db2.gz	MFPYUXRNJDTQBM-YLJYHZDGSA-N	1	0	369.509	1.963	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]CCOc2ccccc2C)[C@H](C)C1	ZINC001106035597	864916193	/nfs/dbraw/zinc/91/61/93/864916193.db2.gz	VCJFNGZWCNIKBB-QZTJIDSGSA-N	1	0	371.481	1.197	20	30		FDEDRO
CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccc(F)cc2)[C@H](C)C1	ZINC001106033122	864922579	/nfs/dbraw/zinc/92/25/79/864922579.db2.gz	BBJIFCOJRPEMHN-NVXWUHKLSA-N	1	0	359.445	1.388	20	30		FDEDRO
CNC(=O)CCCC(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1	ZINC001106040781	864949015	/nfs/dbraw/zinc/94/90/15/864949015.db2.gz	UPCREMRSGQANDF-CRAIPNDOSA-N	1	0	356.470	1.659	20	30		FDEDRO
CNC(=O)CCCC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1	ZINC001106040205	864953374	/nfs/dbraw/zinc/95/33/74/864953374.db2.gz	HRQJPVVOZZBCKY-CRAIPNDOSA-N	1	0	356.470	1.659	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nnc3n2CCCC3)[C@H](C)C1	ZINC001106059078	865069389	/nfs/dbraw/zinc/06/93/89/865069389.db2.gz	NCTXOBNLGLWKMU-SPYBWZPUSA-N	1	0	361.490	1.126	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccoc2Cl)C[C@H]1C	ZINC001106058509	865070864	/nfs/dbraw/zinc/07/08/64/865070864.db2.gz	CAJAJESEQDONFY-FRRDWIJNSA-N	1	0	353.850	1.921	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nnc(C3CC3)s2)[C@H](C)C1	ZINC001106064568	865108946	/nfs/dbraw/zinc/10/89/46/865108946.db2.gz	DCDRVNOUWBTFGQ-DFHBCGBQSA-N	1	0	364.515	1.927	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)nn1	ZINC001088907487	865373957	/nfs/dbraw/zinc/37/39/57/865373957.db2.gz	VYTGINKKGBPATF-PBHICJAKSA-N	1	0	350.426	1.729	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](CCC3CCOCC3)[C@@H]2C)nn1	ZINC001088910894	865397545	/nfs/dbraw/zinc/39/75/45/865397545.db2.gz	NWCNMGLSXLZQHX-WBVHZDCISA-N	1	0	361.490	1.864	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@H](O)C(C)C)C[C@H]2C)c1	ZINC001106076809	865502949	/nfs/dbraw/zinc/50/29/49/865502949.db2.gz	DTQOQXWJADJQBV-WRWLIDTKSA-N	1	0	371.481	1.307	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@H]1C	ZINC001106876981	881880529	/nfs/dbraw/zinc/88/05/29/881880529.db2.gz	HQWOPFKWLNNRJY-RBSFLKMASA-N	1	0	361.490	1.062	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2Cc3c(cccc3C)O2)C[C@H]1C	ZINC001106883949	881897504	/nfs/dbraw/zinc/89/75/04/881897504.db2.gz	QMWJYSOMFWDKOY-HLIPFELVSA-N	1	0	356.466	1.632	20	30		FDEDRO
CC(=O)N1CC[C@@](C)(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)C1	ZINC001088964574	865760322	/nfs/dbraw/zinc/76/03/22/865760322.db2.gz	HCYUXTHZPIJTCW-MFMILTCTSA-N	1	0	368.481	1.896	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](C[C@@H]2CCCCO2)[C@@H]1C	ZINC001088989608	865945040	/nfs/dbraw/zinc/94/50/40/865945040.db2.gz	CGOGLYHQFDUDPP-RYRKJORJSA-N	1	0	357.454	1.855	20	30		FDEDRO
CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000163161574	881925432	/nfs/dbraw/zinc/92/54/32/881925432.db2.gz	DNPUOVRGCFBHJB-UHFFFAOYSA-N	1	0	362.405	1.467	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C)c1	ZINC001089039044	866215675	/nfs/dbraw/zinc/21/56/75/866215675.db2.gz	UTVVPVIYKMVEFS-AYBZRNKSSA-N	1	0	368.481	1.137	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N[C@H]2CC[N@H+](CCn3cncn3)[C@@H]2C)cc1	ZINC001089065004	866414553	/nfs/dbraw/zinc/41/45/53/866414553.db2.gz	HOQBEEDQNNGTMR-APWZRJJASA-N	1	0	369.469	1.665	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C1	ZINC000991987604	866847410	/nfs/dbraw/zinc/84/74/10/866847410.db2.gz	KIYXFLYLSCKZHQ-KSZLIROESA-N	1	0	363.502	1.559	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1	ZINC000994305520	882087762	/nfs/dbraw/zinc/08/77/62/882087762.db2.gz	GDWBMKZNGZPXSQ-HDMKZQKVSA-N	1	0	356.470	1.732	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[C@H]4C(N)=O)CC[C@@H]3C2)c1	ZINC000946782106	882136930	/nfs/dbraw/zinc/13/69/30/882136930.db2.gz	QPVAMOJFWGMFPP-HCXYKTFWSA-N	1	0	366.465	1.350	20	30		FDEDRO
C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cccc(C#N)c1	ZINC000462467250	867997217	/nfs/dbraw/zinc/99/72/17/867997217.db2.gz	YTRGPPGNECSEMM-AQXGTKIOSA-N	1	0	368.481	1.862	20	30		FDEDRO
COc1cc(CNC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)ccc1C#N	ZINC000462470304	867999261	/nfs/dbraw/zinc/99/92/61/867999261.db2.gz	DIMVGASRICTNAM-QGZVFWFLSA-N	1	0	360.458	1.819	20	30		FDEDRO
C#Cc1ccc(C(=O)NC2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC000992153393	868040430	/nfs/dbraw/zinc/04/04/30/868040430.db2.gz	OSSJWJAVFFRVHD-LHUBUQBQSA-N	1	0	354.454	1.028	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)Nc2ncccn2)[C@H](C)C1	ZINC001106100142	868074571	/nfs/dbraw/zinc/07/45/71/868074571.db2.gz	ZQIMFBPRMXAJSR-OWCLPIDISA-N	1	0	357.458	1.147	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NCC(F)(F)F)[C@H](C)C1	ZINC001106105217	868138234	/nfs/dbraw/zinc/13/82/34/868138234.db2.gz	NZBPAYDQTSXXKJ-HZSPNIEDSA-N	1	0	361.408	1.397	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C)C(=O)NC1CCCCC1	ZINC001106106028	868165515	/nfs/dbraw/zinc/16/55/15/868165515.db2.gz	DOBRJWULZNMBGH-JFIYKMOQSA-N	1	0	359.514	1.921	20	30		FDEDRO
Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C	ZINC001106106319	868176383	/nfs/dbraw/zinc/17/63/83/868176383.db2.gz	RMSRDKSMSIDBCS-MISYRCLQSA-N	1	0	370.493	1.832	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2COCCN2C(=O)C#CC(C)(C)C)CC[N@@H+]1C	ZINC001061622693	882161959	/nfs/dbraw/zinc/16/19/59/882161959.db2.gz	RJOOROZYNHHOQX-YESZJQIVSA-N	1	0	363.502	1.110	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3ccnn3C)C[C@H]2CC1	ZINC000946786333	882170907	/nfs/dbraw/zinc/17/09/07/882170907.db2.gz	HBUZLEGCOPVIFE-JFRXWTBNSA-N	1	0	358.486	1.682	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2ccccc2)[C@H](C)C1	ZINC001106111278	868388446	/nfs/dbraw/zinc/38/84/46/868388446.db2.gz	KVFRSIGAYZTFMU-ZHALLVOQSA-N	1	0	371.481	1.025	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C(C)C)C(C)C)[C@H](C)C1	ZINC001106111873	868393857	/nfs/dbraw/zinc/39/38/57/868393857.db2.gz	RUYZLMCPGYAFKP-KZNAEPCWSA-N	1	0	365.518	1.354	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C[NH2+]CCOC[C@H]1CCCO1	ZINC001106112345	868399800	/nfs/dbraw/zinc/39/98/00/868399800.db2.gz	JWEISFBQOQEXPH-KZNAEPCWSA-N	1	0	350.503	1.916	20	30		FDEDRO
CN(C)c1nc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc(=O)[nH]1	ZINC000463313443	868440522	/nfs/dbraw/zinc/44/05/22/868440522.db2.gz	GTQAUDQCENHBRZ-UHFFFAOYSA-N	1	0	368.441	1.324	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCC(C)(C)C)[C@H](C)C1	ZINC001106115266	868518914	/nfs/dbraw/zinc/51/89/14/868518914.db2.gz	RREGVHWONQHHEB-IAGOWNOFSA-N	1	0	365.518	1.263	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nc(CC3CC3)no2)[C@H](C)C1	ZINC001106116454	868570921	/nfs/dbraw/zinc/57/09/21/868570921.db2.gz	CRJGSEHYHFDFIU-IJEWVQPXSA-N	1	0	360.458	1.245	20	30		FDEDRO
CN(C)C(=O)c1cncc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000429201085	882214290	/nfs/dbraw/zinc/21/42/90/882214290.db2.gz	CGYGQVGQNVGYNW-UHFFFAOYSA-N	1	0	364.453	1.762	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2c[nH]cc2-c2cnn(C)c2)C[C@H]1C	ZINC001106123298	868890418	/nfs/dbraw/zinc/89/04/18/868890418.db2.gz	PKRLWZVKQATWKV-HZPDHXFCSA-N	1	0	371.485	1.916	20	30		FDEDRO
C[C@@H](CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1)NC(N)=O	ZINC001106126761	868996740	/nfs/dbraw/zinc/99/67/40/868996740.db2.gz	UPUOJGLSKODTBC-JKIFEVAISA-N	1	0	357.458	1.189	20	30		FDEDRO
CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000464806853	869030737	/nfs/dbraw/zinc/03/07/37/869030737.db2.gz	GKXQQTPMTOBUGR-CABCVRRESA-N	1	0	359.478	1.299	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(Cc3ccc(C)c(OC)c3)C[C@@H]2O)cc1	ZINC001083691322	869088671	/nfs/dbraw/zinc/08/86/71/869088671.db2.gz	JULBISVPSVIKMR-UXHICEINSA-N	1	0	364.445	1.960	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)CC2(CS(C)(=O)=O)CC2)C[C@H]1C	ZINC001106130435	869220933	/nfs/dbraw/zinc/22/09/33/869220933.db2.gz	XJEHXKDQMGGNJW-HZPDHXFCSA-N	1	0	356.532	1.852	20	30		FDEDRO
C[NH+]1CCN(c2ccnc(NC(=O)c3cccc(C#CCO)c3)c2)CC1	ZINC000913666091	869334447	/nfs/dbraw/zinc/33/44/47/869334447.db2.gz	SHIULHFNKCSTRA-UHFFFAOYSA-N	1	0	350.422	1.430	20	30		FDEDRO
C[C@@H]1CN(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C[C@H](C)N1CC#N	ZINC000913889492	869912860	/nfs/dbraw/zinc/91/28/60/869912860.db2.gz	ZEZNSCXSRJYODU-SCTDSRPQSA-N	1	0	357.502	1.787	20	30		FDEDRO
Cc1ccc(CNC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cc1C#N	ZINC000913998404	870292439	/nfs/dbraw/zinc/29/24/39/870292439.db2.gz	LRUXKVKBHLDCBG-LJQANCHMSA-N	1	0	357.502	1.938	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)c3cc(C)no3)C[C@]2(C)C1	ZINC000992596134	870582102	/nfs/dbraw/zinc/58/21/02/870582102.db2.gz	ZLMPZJXPFVJUKH-GUXCAODWSA-N	1	0	370.453	1.001	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2C)nc1	ZINC000994384362	882453395	/nfs/dbraw/zinc/45/33/95/882453395.db2.gz	NSZAFVCKIWKMEP-BPQIPLTHSA-N	1	0	368.481	1.229	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c(F)cccc2OC)C[C@H]1C	ZINC001106161326	871505938	/nfs/dbraw/zinc/50/59/38/871505938.db2.gz	SJHRZIFCUDZSTK-ZIAGYGMSSA-N	1	0	363.433	1.434	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2Cc3ccccc3O2)C[C@H]1C	ZINC001106167197	871524240	/nfs/dbraw/zinc/52/42/40/871524240.db2.gz	QEYVKSJAMSJTMT-KBAYOESNSA-N	1	0	371.481	1.367	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)NC(=O)COC)C[C@H]1C	ZINC001106167502	871536019	/nfs/dbraw/zinc/53/60/19/871536019.db2.gz	BTUGCGDUHXULGZ-BRWVUGGUSA-N	1	0	353.507	1.568	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)NC(=O)CC(F)(F)F)C[C@H]1C	ZINC001106169576	871557967	/nfs/dbraw/zinc/55/79/67/871557967.db2.gz	FVFJNIMBRGMQMF-ADEWGFFLSA-N	1	0	369.815	1.880	20	30		FDEDRO
C[C@@H]1CN(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C[C@@H](C)N1CC#N	ZINC000914299272	872231697	/nfs/dbraw/zinc/23/16/97/872231697.db2.gz	PMCIIMUJNDYFOD-ZHALLVOQSA-N	1	0	357.502	1.787	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)c2c(C)n[nH]c2C)[C@H](OC)C1	ZINC001212489425	872266888	/nfs/dbraw/zinc/26/68/88/872266888.db2.gz	ODYGLMURVJMUOF-KBRIMQKVSA-N	1	0	364.490	1.538	20	30		FDEDRO
C[NH+](C)[C@@H](C(=O)N1C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@]2(C)C1)C1CC1	ZINC000992809838	872438503	/nfs/dbraw/zinc/43/85/03/872438503.db2.gz	RHPYQPQBHGELCW-JNAXZKDPSA-N	1	0	369.469	1.147	20	30		FDEDRO
CC[C@@H](C(=O)N1C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@]2(C)C1)[NH+](C)C	ZINC000992815478	872468890	/nfs/dbraw/zinc/46/88/90/872468890.db2.gz	KYRJBBBFPZVQEJ-URLQWDBASA-N	1	0	357.458	1.147	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1c(C#N)c(=O)n(C)c(=O)n1C	ZINC000499652372	872505206	/nfs/dbraw/zinc/50/52/06/872505206.db2.gz	HTADVJLEYDVCNQ-LSDHHAIUSA-N	1	0	367.453	1.055	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(CCC)[C@H]2CC[N@H+](C)C2)c1	ZINC000649003493	882671403	/nfs/dbraw/zinc/67/14/03/882671403.db2.gz	DMBQSPZXAYUYMM-INIZCTEOSA-N	1	0	365.499	1.707	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C[NH2+]CCN2CCCS2(=O)=O)[C@H](C)C1	ZINC001106183659	873076033	/nfs/dbraw/zinc/07/60/33/873076033.db2.gz	ICIJDNRTEUUYEM-HZPDHXFCSA-N	1	0	371.547	1.308	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1	ZINC000992900717	873150784	/nfs/dbraw/zinc/15/07/84/873150784.db2.gz	YZOFYJKZKGGPKD-CNNODRBYSA-N	1	0	371.525	1.970	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)/C=C\C2CC2)CC1	ZINC001003364082	873218229	/nfs/dbraw/zinc/21/82/29/873218229.db2.gz	XFNLOXJPPZCUKO-JEIZLLSISA-N	1	0	355.482	1.546	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NCCCC)[C@H](C)C1	ZINC001106191969	873268442	/nfs/dbraw/zinc/26/84/42/873268442.db2.gz	UJJGMHRKBQZTHM-HZPDHXFCSA-N	1	0	366.506	1.653	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NC(C)C)[C@H](C)C1	ZINC001106191712	873268596	/nfs/dbraw/zinc/26/85/96/873268596.db2.gz	MAFCSECPALTUND-BZUAXINKSA-N	1	0	366.506	1.650	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1	ZINC000992950416	873365154	/nfs/dbraw/zinc/36/51/54/873365154.db2.gz	BYLCJRSXKZSNRE-LAUBAEHRSA-N	1	0	370.497	1.690	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CC[N@@H+](C)C1	ZINC001003500132	873605944	/nfs/dbraw/zinc/60/59/44/873605944.db2.gz	AMGZNQSZQFVOGB-HZMVEIRTSA-N	1	0	356.470	1.488	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)C=C(C)C)C[C@@]3(C)C2)CC1	ZINC000993019573	873708594	/nfs/dbraw/zinc/70/85/94/873708594.db2.gz	LUIFOTSDPRBQFV-NQIIRXRSSA-N	1	0	357.498	1.605	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@]2(C)C1)[NH+](C)C	ZINC000993034337	873812644	/nfs/dbraw/zinc/81/26/44/873812644.db2.gz	IKBVDYAVIBTRCR-SYNHAJSKSA-N	1	0	371.485	1.393	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)COCc2ccc(C)cc2)C[C@H]1C	ZINC001106216200	873897513	/nfs/dbraw/zinc/89/75/13/873897513.db2.gz	GAYBHYRQEHOJFX-UYAOXDASSA-N	1	0	358.482	1.846	20	30		FDEDRO
N#Cc1nc(Br)cnc1-n1nc(-c2ccccc2)nc1CC[NH3+]	ZINC001168715736	874043692	/nfs/dbraw/zinc/04/36/92/874043692.db2.gz	WNKSAWGXTJFDNV-UHFFFAOYSA-N	1	0	370.214	1.860	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]CCOC(C)C)[C@H](C)C2)CCOCC1	ZINC001106236179	874061575	/nfs/dbraw/zinc/06/15/75/874061575.db2.gz	DDRZONGRCRYFMR-QZTJIDSGSA-N	1	0	350.503	1.916	20	30		FDEDRO
CCCCCCCCOCC(=O)N1C[C@@H](C[NH2+][C@H]2CCNC2=O)[C@H](C)C1	ZINC001106255629	874169894	/nfs/dbraw/zinc/16/98/94/874169894.db2.gz	BLPNRVHILMPGFV-KURKYZTESA-N	1	0	367.534	1.936	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cn(C)nc2C(F)F)C[C@H]1C	ZINC001106260881	874209056	/nfs/dbraw/zinc/20/90/56/874209056.db2.gz	GJBLCIIDSYDLBA-CHWSQXEVSA-N	1	0	356.417	1.858	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnn3c2ccc(C)c3C)C[C@H]1C	ZINC001106271938	874314188	/nfs/dbraw/zinc/31/41/88/874314188.db2.gz	PUGAZHZYAUWBBP-SJLPKXTDSA-N	1	0	368.481	1.899	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106280913	874394819	/nfs/dbraw/zinc/39/48/19/874394819.db2.gz	ZDGHGHTTYZRAHH-GDBMZVCRSA-N	1	0	359.445	1.373	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106297017	874580726	/nfs/dbraw/zinc/58/07/26/874580726.db2.gz	PAHLTQLACHNBCY-GDBMZVCRSA-N	1	0	368.412	1.671	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC2(F)F)C[C@H]1C	ZINC001106301559	874614397	/nfs/dbraw/zinc/61/43/97/874614397.db2.gz	SIKOAVXKUJWWLJ-BZUAXINKSA-N	1	0	369.456	1.916	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C[C@H]1C	ZINC001106316428	874760421	/nfs/dbraw/zinc/76/04/21/874760421.db2.gz	VMIULJCIPSTIKC-JHEVNIALSA-N	1	0	370.799	1.769	20	30		FDEDRO
CCc1cccc(CC(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)c1	ZINC001106333755	874821211	/nfs/dbraw/zinc/82/12/11/874821211.db2.gz	PVRDVQDZALAZPT-CRAIPNDOSA-N	1	0	356.470	1.115	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cn(C)nc2C2CCC2)C[C@H]1C	ZINC001106336730	874824999	/nfs/dbraw/zinc/82/49/99/874824999.db2.gz	CLZAYXAKECTSLL-NVXWUHKLSA-N	1	0	358.486	1.635	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CCOCC(F)(F)F)C[C@H]1C	ZINC001106361247	874911577	/nfs/dbraw/zinc/91/15/77/874911577.db2.gz	MHXFHYOGYGRQFM-ZIAGYGMSSA-N	1	0	352.397	1.842	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc3c(cn2)CCCC3)C[C@H]1C	ZINC001106400012	875099580	/nfs/dbraw/zinc/09/95/80/875099580.db2.gz	DMROFXMKVZECKP-VQIMIIECSA-N	1	0	355.482	1.908	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3c(cn2)CCCC3)C[C@H]1C	ZINC001106400728	875102848	/nfs/dbraw/zinc/10/28/48/875102848.db2.gz	REMMOFRMCLMVMS-CRAIPNDOSA-N	1	0	370.497	1.560	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(Cl)cn2C)C[C@H]1C	ZINC001106402971	875127271	/nfs/dbraw/zinc/12/72/71/875127271.db2.gz	JSKUUDKSRRODSI-MGPQQGTHSA-N	1	0	364.877	1.114	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)c1ccoc1C)C2	ZINC001112368570	875155750	/nfs/dbraw/zinc/15/57/50/875155750.db2.gz	ULDQUUJITWUUFW-JXFKEZNVSA-N	1	0	357.454	1.559	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c(C)cncc2C)C[C@H]1C	ZINC001106422144	875221003	/nfs/dbraw/zinc/22/10/03/875221003.db2.gz	OYOKZHOFIALNJS-IXDOHACOSA-N	1	0	356.470	1.134	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)c(C)c(C(=O)OC)c2)CC1	ZINC000495359358	875247947	/nfs/dbraw/zinc/24/79/47/875247947.db2.gz	RCEMOEQFDKTELQ-UHFFFAOYSA-N	1	0	373.453	1.795	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc3oc(=O)[nH]c32)C[C@H]1C	ZINC001106436483	875289170	/nfs/dbraw/zinc/28/91/70/875289170.db2.gz	OUCDXSLNLWGYIL-ZIAGYGMSSA-N	1	0	357.410	1.481	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)C1	ZINC000994477561	882934871	/nfs/dbraw/zinc/93/48/71/882934871.db2.gz	XBJNXOMVRHHEFU-BHIYHBOVSA-N	1	0	359.514	1.733	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cnnn3)cn2)C[C@H]1C	ZINC001106468174	875530827	/nfs/dbraw/zinc/53/08/27/875530827.db2.gz	CWJGYSQGLBGGPW-BZUAXINKSA-N	1	0	369.473	1.710	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1C	ZINC001106474868	875562054	/nfs/dbraw/zinc/56/20/54/875562054.db2.gz	WDUKRKZNMQFACR-BXKDBHETSA-N	1	0	370.247	1.585	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC)[C@H](C)C1	ZINC001106482688	875623379	/nfs/dbraw/zinc/62/33/79/875623379.db2.gz	LKXCZVKANFBHCE-GPMSIDNRSA-N	1	0	353.507	1.378	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(F)ccc2C)C[C@H]1C	ZINC001106494529	875706785	/nfs/dbraw/zinc/70/67/85/875706785.db2.gz	ZLSXRCYDMAYFEB-OWCLPIDISA-N	1	0	359.445	1.570	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnco2)C[C@H]1C	ZINC001106495785	875713718	/nfs/dbraw/zinc/71/37/18/875713718.db2.gz	POPIJYZEVCWNOH-BZUAXINKSA-N	1	0	362.474	1.785	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)NC(=O)C(C)(C)C)C[C@H]1C	ZINC001106505148	875754708	/nfs/dbraw/zinc/75/47/08/875754708.db2.gz	HAIJUCNMKWNXDQ-OWCLPIDISA-N	1	0	353.507	1.424	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCN3C(=O)CCC3=O)[C@H](C)C2)cc1	ZINC001106512108	875799717	/nfs/dbraw/zinc/79/97/17/875799717.db2.gz	FCKJPXWYCPHUOA-CRAIPNDOSA-N	1	0	367.449	1.115	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)NC3CC3)[C@H](C)C2)cc1	ZINC001106512632	875799854	/nfs/dbraw/zinc/79/98/54/875799854.db2.gz	PPYBUPUKSJMPTL-IIDMSEBBSA-N	1	0	353.466	1.633	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2c(C)nc[nH]c2=O)C[C@H]1C	ZINC001106566681	875973630	/nfs/dbraw/zinc/97/36/30/875973630.db2.gz	JKNGFTLADDKUJI-BXKDBHETSA-N	1	0	369.263	1.697	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC2CC2)[C@H](C)C1	ZINC001106567226	875976375	/nfs/dbraw/zinc/97/63/75/875976375.db2.gz	AKZRYPRVVSTEMC-RBSFLKMASA-N	1	0	364.490	1.261	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2nccc3ccccc32)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106591621	876064874	/nfs/dbraw/zinc/06/48/74/876064874.db2.gz	HDYYTYMLUYYXQV-GDBMZVCRSA-N	1	0	365.437	1.172	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2c(F)cccc2F)C[C@H]1C	ZINC001106594903	876091744	/nfs/dbraw/zinc/09/17/44/876091744.db2.gz	OGYCLUPSHLIETF-HUUCEWRRSA-N	1	0	350.409	1.841	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc(F)c2F)C[C@H]1C	ZINC001106598256	876102703	/nfs/dbraw/zinc/10/27/03/876102703.db2.gz	YLHZWCQLBXALRN-MGPQQGTHSA-N	1	0	363.408	1.400	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+]CCN2C(=O)NC(C)(C)C2=O)[C@H](C)C1	ZINC001106605438	876163848	/nfs/dbraw/zinc/16/38/48/876163848.db2.gz	NOCXGNLEACDEKS-HUUCEWRRSA-N	1	0	364.490	1.357	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2nnc(C)s2)[C@H](C)C1	ZINC001106609846	876181160	/nfs/dbraw/zinc/18/11/60/876181160.db2.gz	QSIFTZFFVCNTPP-TZMCWYRMSA-N	1	0	365.503	1.825	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc3nonc3c2)C[C@H]1C	ZINC001106614289	876208566	/nfs/dbraw/zinc/20/85/66/876208566.db2.gz	DPFQHFDQVQVRMW-UMVBOHGHSA-N	1	0	371.441	1.211	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(Cl)cc2C)C[C@H]1C	ZINC001106617974	876230901	/nfs/dbraw/zinc/23/09/01/876230901.db2.gz	ZTSJFQAMKTXYFD-HUUCEWRRSA-N	1	0	361.873	1.696	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3nnnn3C3CC3)[C@H](C)C2)CCC1	ZINC001106635776	876316996	/nfs/dbraw/zinc/31/69/96/876316996.db2.gz	CIRLSDVBOLLUOY-HUUCEWRRSA-N	1	0	358.490	1.939	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(-n3cncn3)c2)C[C@H]1C	ZINC001106650605	876388959	/nfs/dbraw/zinc/38/89/59/876388959.db2.gz	VOZTVKFPXCEFGB-SJLPKXTDSA-N	1	0	367.453	1.215	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC(F)(F)C2)C[C@H]1C	ZINC001106657407	876425860	/nfs/dbraw/zinc/42/58/60/876425860.db2.gz	CKCIUAGAGQJYMI-QLFBSQMISA-N	1	0	357.445	1.798	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)C(C)(C)C=C)C[C@]3(C)C2)CC1	ZINC000993220482	876464871	/nfs/dbraw/zinc/46/48/71/876464871.db2.gz	NXQQHABDMDNCFL-GCJKJVERSA-N	1	0	371.525	1.851	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccn3cc(C)nc3c2)C[C@H]1C	ZINC001106665368	876473801	/nfs/dbraw/zinc/47/38/01/876473801.db2.gz	UKHCDUFUPJUOOE-CRAIPNDOSA-N	1	0	354.454	1.590	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ocnc2C(F)F)C[C@H]1C	ZINC001106672051	876510883	/nfs/dbraw/zinc/51/08/83/876510883.db2.gz	BRNJPOHCVNCTLP-GHMZBOCLSA-N	1	0	356.373	1.212	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2cncs2)C[C@H]1C	ZINC001106672380	876515592	/nfs/dbraw/zinc/51/55/92/876515592.db2.gz	SHGYTLPIBJYSMR-ZIAGYGMSSA-N	1	0	350.488	1.062	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)OCc2ccncc2)C[C@H]1C	ZINC001106680461	876547769	/nfs/dbraw/zinc/54/77/69/876547769.db2.gz	QQTSYEFIGJJJCZ-ZIFCJYIRSA-N	1	0	359.470	1.321	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@H]1C	ZINC001106691438	876589830	/nfs/dbraw/zinc/58/98/30/876589830.db2.gz	OTFGOOKTSRDRJZ-FRRDWIJNSA-N	1	0	361.408	1.704	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2[C@@H]3CCCCCC[C@@H]23)C[C@H]1C	ZINC001106699646	876608801	/nfs/dbraw/zinc/60/88/01/876608801.db2.gz	VZEMSPJWPUYEFK-BRSBDYLESA-N	1	0	359.514	1.636	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC	ZINC000922892630	883070178	/nfs/dbraw/zinc/07/01/78/883070178.db2.gz	DIYSEEIQPVBUHU-GUDVDZBRSA-N	1	0	359.470	1.207	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2nncs2)[C@H](C)C1	ZINC001106710898	876899193	/nfs/dbraw/zinc/89/91/93/876899193.db2.gz	BJFFJKBYUGGFCX-CHWSQXEVSA-N	1	0	365.503	1.763	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC23CCC3)C[C@H]1C	ZINC001106707784	876913328	/nfs/dbraw/zinc/91/33/28/876913328.db2.gz	BHVBVFJBKPKITM-ZACQAIPSSA-N	1	0	360.502	1.623	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccn(C(C)C)n2)C[C@H]1C	ZINC001106718879	876949206	/nfs/dbraw/zinc/94/92/06/876949206.db2.gz	ZTZHKXNTRQTUAN-OWCLPIDISA-N	1	0	361.490	1.452	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CC[C@H](C)C2(C)C)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106730830	877231770	/nfs/dbraw/zinc/23/17/70/877231770.db2.gz	RHGUDHYGJKYHPU-ASKKUZCQSA-N	1	0	362.518	1.773	20	30		FDEDRO
C[NH+](C)C1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1	ZINC000193737702	877280270	/nfs/dbraw/zinc/28/02/70/877280270.db2.gz	OKIOBHJIHYNFQH-UHFFFAOYSA-N	1	0	358.442	1.860	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21	ZINC000272399710	877292204	/nfs/dbraw/zinc/29/22/04/877292204.db2.gz	ZFCDANTXLQWSEF-GDBMZVCRSA-N	1	0	356.426	1.448	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CC[C@@]2(C1)CN(Cc1ccccc1)C(=O)CO2	ZINC000922283640	877317315	/nfs/dbraw/zinc/31/73/15/877317315.db2.gz	FWCXDLFLSOCNGP-HXUWFJFHSA-N	1	0	357.454	1.134	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc([C@@H](C)CC)no2)C[C@H]1C	ZINC001106742162	877417851	/nfs/dbraw/zinc/41/78/51/877417851.db2.gz	XUESXYJYZBLOQY-RRFJBIMHSA-N	1	0	360.458	1.235	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@]2(C)C1	ZINC000993344900	877433756	/nfs/dbraw/zinc/43/37/56/877433756.db2.gz	FXCAKODMXKWZRM-FRIZHTMISA-N	1	0	351.410	1.414	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@]2(C)C1	ZINC000993345915	877456464	/nfs/dbraw/zinc/45/64/64/877456464.db2.gz	VERDMJLRCVTMFL-ZUEVXXBESA-N	1	0	351.410	1.414	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCOCC(F)F)[C@H](C)C1	ZINC001106752963	877525032	/nfs/dbraw/zinc/52/50/32/877525032.db2.gz	WVYSJDGYVZFJFM-AIANPOQGSA-N	1	0	360.445	1.933	20	30		FDEDRO
N#CCOc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@]34C[C@H]3COC4)C2)cc1	ZINC000999204945	912251474	/nfs/dbraw/zinc/25/14/74/912251474.db2.gz	XKPSCUHYLNLMAQ-QKLQHJQFSA-N	1	0	355.438	1.706	20	30		FDEDRO
CNC(=O)C1(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)cc3)[C@H](C)C2)CC1	ZINC001106759967	877607976	/nfs/dbraw/zinc/60/79/76/877607976.db2.gz	HXZLMZUJUYNNIV-RHSMWYFYSA-N	1	0	354.454	1.269	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CNC(=O)CC2CCCC2)C[C@H]1C	ZINC001106765286	877634809	/nfs/dbraw/zinc/63/48/09/877634809.db2.gz	VOJDDMZMTPGUKK-SJLPKXTDSA-N	1	0	363.502	1.017	20	30		FDEDRO
N#Cc1ccccc1/C=C/C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000922348489	877843254	/nfs/dbraw/zinc/84/32/54/877843254.db2.gz	VHMRKPNINBDHRD-AQKVLALTSA-N	1	0	368.481	1.484	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C	ZINC000915854079	877863946	/nfs/dbraw/zinc/86/39/46/877863946.db2.gz	CPWDNZNCXUPENK-CRAIPNDOSA-N	1	0	365.499	1.392	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc3c([nH]c2=O)CCCC3)C[C@H]1C	ZINC001106788574	877924981	/nfs/dbraw/zinc/92/49/81/877924981.db2.gz	BXECEVBJFXXSEM-NVXWUHKLSA-N	1	0	371.481	1.614	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@H]2CC(c3ccc(OC)cc3)=NO2)CC1	ZINC000922369987	877936589	/nfs/dbraw/zinc/93/65/89/877936589.db2.gz	FVTWDSUVVVETAH-GOSISDBHSA-N	1	0	370.453	1.585	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)CCC(=O)N3)C[C@H]1C(F)(F)F	ZINC001099277013	878082358	/nfs/dbraw/zinc/08/23/58/878082358.db2.gz	NVUUZKPNVWHAHO-UKRRQHHQSA-N	1	0	365.355	1.797	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN(C(C)=O)C2)C[C@H]1C(F)(F)F	ZINC001099277002	878082802	/nfs/dbraw/zinc/08/28/02/878082802.db2.gz	NSNKAEVTXGWYAI-RRFJBIMHSA-N	1	0	361.408	1.800	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cnn(CCOCC)c2)C[C@H]1C	ZINC001106810472	878164126	/nfs/dbraw/zinc/16/41/26/878164126.db2.gz	ANTKJKLWIFLACU-UKRRQHHQSA-N	1	0	354.882	1.970	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C2(C(=O)N(C)C(C)C)CC2)C[C@H]1C	ZINC001106814753	878225727	/nfs/dbraw/zinc/22/57/27/878225727.db2.gz	GFLDVJPSIVJLGW-IAGOWNOFSA-N	1	0	365.518	1.520	20	30		FDEDRO
N#Cc1cnc(N2CCC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)c(F)c1	ZINC001061477778	879057529	/nfs/dbraw/zinc/05/75/29/879057529.db2.gz	NAAOUOLGZDSVGN-BFHYXJOUSA-N	1	0	354.389	1.704	20	30		FDEDRO
N#CCCn1cc(C[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c(-c2ccncc2)n1	ZINC000922726638	879090372	/nfs/dbraw/zinc/09/03/72/879090372.db2.gz	XHLWRYHWNWUPJH-NJAFHUGGSA-N	1	0	353.426	1.752	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cnn4c3nc(C)cc4C)[C@H]2C1	ZINC001083160407	912419074	/nfs/dbraw/zinc/41/90/74/912419074.db2.gz	XPUNHCIUBCLWJV-DLBZAZTESA-N	1	0	355.442	1.447	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O	ZINC000922731099	879132514	/nfs/dbraw/zinc/13/25/14/879132514.db2.gz	LGLSFNARKFIUJL-WRPWXNSMSA-N	1	0	351.491	1.499	20	30		FDEDRO
C=CC[C@@H](CO)CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000429037074	879728796	/nfs/dbraw/zinc/72/87/96/879728796.db2.gz	WBOQZWPFRGHGHV-MOPGFXCFSA-N	1	0	361.486	1.761	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1	ZINC001004534900	879810439	/nfs/dbraw/zinc/81/04/39/879810439.db2.gz	ZJOHABGCWVYYLF-FGTMMUONSA-N	1	0	361.486	1.027	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)[C@H](C)C1	ZINC000993863432	879822661	/nfs/dbraw/zinc/82/26/61/879822661.db2.gz	GYAMDUZMCVCSIK-QGPMSJSTSA-N	1	0	371.485	1.585	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)[C@H](C)C1	ZINC000993873087	879928838	/nfs/dbraw/zinc/92/88/38/879928838.db2.gz	QVHHBXJCDYGDGD-KYJSFNMBSA-N	1	0	371.485	1.583	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H](CC)c3ccccc3)C[C@@H]2O)nn1	ZINC001083843383	879972638	/nfs/dbraw/zinc/97/26/38/879972638.db2.gz	FNHDBMBGSKLVIK-NJAFHUGGSA-N	1	0	355.442	1.390	20	30		FDEDRO
C#CCCCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001061520263	879993233	/nfs/dbraw/zinc/99/32/33/879993233.db2.gz	WBAFCYOGTYTXAR-FGTMMUONSA-N	1	0	363.502	1.254	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC000993908532	880114306	/nfs/dbraw/zinc/11/43/06/880114306.db2.gz	PGWCEBPJWMJLQC-RBSFLKMASA-N	1	0	357.458	1.052	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC000993918725	880148766	/nfs/dbraw/zinc/14/87/66/880148766.db2.gz	OKVLIYXUABKJOS-SRCQZFHVSA-N	1	0	357.458	1.051	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1	ZINC000993961932	880181014	/nfs/dbraw/zinc/18/10/14/880181014.db2.gz	VFTLHZWRQBBWDZ-AOIWGVFYSA-N	1	0	363.502	1.558	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCN(CC(F)F)C3)[C@H]2C1	ZINC001083177223	912551168	/nfs/dbraw/zinc/55/11/68/912551168.db2.gz	NOIGYSZNSOJMFG-IXDOHACOSA-N	1	0	371.472	1.841	20	30		FDEDRO
C#CC[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)CC2(CCOCC2)C1	ZINC001089942155	912574084	/nfs/dbraw/zinc/57/40/84/912574084.db2.gz	QLPPXJDTRFUEHM-CEXWTWQISA-N	1	0	353.466	1.806	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)CC[N@@H+]1C	ZINC000994092321	880644478	/nfs/dbraw/zinc/64/44/78/880644478.db2.gz	OIFXDBURENXARU-GKLJAUDBSA-N	1	0	357.458	1.051	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1cc(C(=O)OC)ccc1OCC	ZINC000915905565	881214693	/nfs/dbraw/zinc/21/46/93/881214693.db2.gz	PJNXCTXAUUKIER-UHFFFAOYSA-N	1	0	368.455	1.105	20	30		FDEDRO
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H]1C[N@H+](C)CCN1C	ZINC000496188529	881244098	/nfs/dbraw/zinc/24/40/98/881244098.db2.gz	NLVVDZHVLOJMPP-SFHVURJKSA-N	1	0	362.522	1.798	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C)[C@H](C)C2)cn1	ZINC000994242013	881267853	/nfs/dbraw/zinc/26/78/53/881267853.db2.gz	UZPOJUIKEBHFOX-SUMDDJOVSA-N	1	0	368.481	1.372	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCOC[C@@H]2[C@H]2CC[C@H](COC)O2)CC1	ZINC000917141932	883129992	/nfs/dbraw/zinc/12/99/92/883129992.db2.gz	LDZGYMLPCMCOHK-KZNAEPCWSA-N	1	0	367.490	1.241	20	30		FDEDRO
N#C[C@@H](C(=O)CN1CC[NH+](CC2CC2)CC1)c1nc2ccccc2c(=O)[nH]1	ZINC000917160032	883152608	/nfs/dbraw/zinc/15/26/08/883152608.db2.gz	POZCZPOUYONDDS-INIZCTEOSA-N	1	0	365.437	1.539	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N(C)C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC001005409300	883256307	/nfs/dbraw/zinc/25/63/07/883256307.db2.gz	IKMWNXBPGQGVAC-DNVCBOLYSA-N	1	0	368.481	1.896	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ccc(C#N)cc2)C1	ZINC000999419157	912707463	/nfs/dbraw/zinc/70/74/63/912707463.db2.gz	ZGSGVBXUHXKRNI-HIEASXQVSA-N	1	0	354.454	1.362	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N1CCC(CO)([NH2+]C(C)C)CC1	ZINC000917535545	883527718	/nfs/dbraw/zinc/52/77/18/883527718.db2.gz	ISWICBSGBFRJPB-UHFFFAOYSA-N	1	0	351.472	1.380	20	30		FDEDRO
CCN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC001033959703	883596717	/nfs/dbraw/zinc/59/67/17/883596717.db2.gz	HGZPLUNXYYKNPR-CEXWTWQISA-N	1	0	368.481	1.883	20	30		FDEDRO
CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)C1CC([NH2+]Cc2ccc(C#N)cc2)C1	ZINC000999415889	912735662	/nfs/dbraw/zinc/73/56/62/912735662.db2.gz	RRXUHKKJPPIHON-VEZWFGLTSA-N	1	0	354.454	1.539	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[N@@H+](CCc2csc(C)n2)C[C@@H]1n1ccnn1	ZINC001128816899	883733903	/nfs/dbraw/zinc/73/39/03/883733903.db2.gz	SMBQONKUZFQAHY-CVEARBPZSA-N	1	0	360.487	1.593	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(F)nc2)[C@@H](n2ccnn2)C1	ZINC001128824710	883744862	/nfs/dbraw/zinc/74/48/62/883744862.db2.gz	IQXBOYALCXOVGP-BMFZPTHFSA-N	1	0	358.421	1.822	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN2C)[C@@H](n2ccnn2)C1	ZINC001128830788	883757285	/nfs/dbraw/zinc/75/72/85/883757285.db2.gz	YDLYDJPBMRQFEY-KURKYZTESA-N	1	0	360.506	1.460	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](C#N)c2ccc(F)cc2)CC1=O	ZINC000497851165	883777626	/nfs/dbraw/zinc/77/76/26/883777626.db2.gz	FDRHTWAGZBOKFG-CGTJXYLNSA-N	1	0	372.444	1.839	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2cnn(CC)c2)[C@@H](n2ccnn2)C1	ZINC001128833858	883785319	/nfs/dbraw/zinc/78/53/19/883785319.db2.gz	FGBXFWGLOFDEMO-MSOLQXFVSA-N	1	0	371.489	1.896	20	30		FDEDRO
C=CCN1CC[C@H]([NH+]2CCC(N(C)C(=O)[C@H]3OCC[C@H]3CC)CC2)C1=O	ZINC001005530534	884015354	/nfs/dbraw/zinc/01/53/54/884015354.db2.gz	QPBYYFRNGILVDD-NJAFHUGGSA-N	1	0	363.502	1.511	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2cncnc2)[C@@H](n2ccnn2)C1	ZINC001128913734	884097232	/nfs/dbraw/zinc/09/72/32/884097232.db2.gz	NGCKEEDVEJTQFP-SJORKVTESA-N	1	0	357.462	1.694	20	30		FDEDRO
C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCCNc1ccc(C#N)cn1	ZINC000918131149	884131566	/nfs/dbraw/zinc/13/15/66/884131566.db2.gz	GYPNTWLULZXOGR-SFHVURJKSA-N	1	0	366.469	1.837	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC2OCCCO2)[C@@H](n2ccnn2)C1	ZINC001128934961	884153693	/nfs/dbraw/zinc/15/36/93/884153693.db2.gz	GKKKPACJORVPAC-XHSDSOJGSA-N	1	0	363.462	1.127	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(c3nc(C)ccc3C#N)C2)CC[N@@H+]1C	ZINC001061756766	884447527	/nfs/dbraw/zinc/44/75/27/884447527.db2.gz	AXLSNBHGUGBZKA-BPQIPLTHSA-N	1	0	355.486	1.935	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(c3snc(C)c3C#N)C2)CC[N@@H+]1C	ZINC001061757942	884461894	/nfs/dbraw/zinc/46/18/94/884461894.db2.gz	SLKPCRLWSZVISA-IJEWVQPXSA-N	1	0	361.515	1.996	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CC/C=C/CCC)C[C@@H]1n1ccnn1	ZINC001128961294	884485139	/nfs/dbraw/zinc/48/51/39/884485139.db2.gz	AWKOPGMGWSYLMJ-BIQAKFSOSA-N	1	0	361.490	1.693	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CCC2CCN(C(=O)[C@H]3OCC[C@H]3C)CC2)C1=O	ZINC001034568868	884507557	/nfs/dbraw/zinc/50/75/57/884507557.db2.gz	NGEDSILNECXTNE-NJAFHUGGSA-N	1	0	363.502	1.417	20	30		FDEDRO
CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)C#CC(C)C)[C@@H](n2ccnn2)C1)C1CCC1	ZINC001128976309	884544981	/nfs/dbraw/zinc/54/49/81/884544981.db2.gz	OTRLDFARZHOUPD-SQNIBIBYSA-N	1	0	359.474	1.094	20	30		FDEDRO
Cc1ncsc1CC[N@@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@@H](n2ccnn2)C1	ZINC001128985451	884716478	/nfs/dbraw/zinc/71/64/78/884716478.db2.gz	OCEWYWDNHFLKJP-CVEARBPZSA-N	1	0	370.482	1.041	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN([C@H](C)C(=O)Nc3cccc(C#N)c3)C2)CC1	ZINC000246104565	884807459	/nfs/dbraw/zinc/80/74/59/884807459.db2.gz	CSCOUWPOJVKXMO-VQIMIIECSA-N	1	0	355.486	1.597	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](C)[NH+]2CCCCC2)c1	ZINC000918705027	884834378	/nfs/dbraw/zinc/83/43/78/884834378.db2.gz	QEEFPPLJLHDDQB-OAHLLOKOSA-N	1	0	365.499	1.755	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CCNC(=O)CC2)CC1	ZINC001034740346	884935683	/nfs/dbraw/zinc/93/56/83/884935683.db2.gz	KXTKFNXFRBXJRT-ZKXLYKBJSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCO[C@H]3C=C)CC2)C1=O	ZINC001034741009	884936957	/nfs/dbraw/zinc/93/69/57/884936957.db2.gz	QWQAGGBCEBIJNG-ZKXLYKBJSA-N	1	0	361.486	1.381	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncnn2C)CC1	ZINC001034753643	884964482	/nfs/dbraw/zinc/96/44/82/884964482.db2.gz	PNGISNITQVUKAR-OVWQWFNUSA-N	1	0	361.490	1.703	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cn(CC)nn2)CC1	ZINC001034754749	884970198	/nfs/dbraw/zinc/97/01/98/884970198.db2.gz	QJNZSEKNIWYYAZ-LAQRGFTBSA-N	1	0	361.490	1.796	20	30		FDEDRO
C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)c2cccc(Cl)c2C#N)C1	ZINC000918946558	885072141	/nfs/dbraw/zinc/07/21/41/885072141.db2.gz	HTEBBMGCOFBLMT-OAHLLOKOSA-N	1	0	357.863	1.289	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@@H]1O	ZINC001083967808	912910901	/nfs/dbraw/zinc/91/09/01/912910901.db2.gz	ZIIAPUDBCFTTSV-MOPGFXCFSA-N	1	0	371.481	1.839	20	30		FDEDRO
Cc1onc(CC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)c1C#N	ZINC000498535079	885202834	/nfs/dbraw/zinc/20/28/34/885202834.db2.gz	DRXKXUFIAZMNSL-UHFFFAOYSA-N	1	0	367.453	1.331	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccnn2CCC)[C@@H](n2ccnn2)C1	ZINC001129019872	885247948	/nfs/dbraw/zinc/24/79/48/885247948.db2.gz	CGMBPQVJCZIISR-NUJGCVRESA-N	1	0	371.489	1.895	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cc3c([nH]2)CCOC3)[C@@H](n2ccnn2)C1	ZINC001129037898	885442151	/nfs/dbraw/zinc/44/21/51/885442151.db2.gz	FCYNVEMCNAXIFW-MSOLQXFVSA-N	1	0	370.457	1.300	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1	ZINC001129054569	885586771	/nfs/dbraw/zinc/58/67/71/885586771.db2.gz	JBMRHSGFQRYGEU-OAGGEKHMSA-N	1	0	366.897	1.247	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CCCN(c2ccc(C)nn2)C1)C1CC[NH+](C)CC1	ZINC000919383862	885679226	/nfs/dbraw/zinc/67/92/26/885679226.db2.gz	UEDWAVRBXQEFJB-KRWDZBQOSA-N	1	0	370.501	1.493	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCc3cnn(CC)c3)[C@H](C)C2)cn1	ZINC001106894474	885752839	/nfs/dbraw/zinc/75/28/39/885752839.db2.gz	NRRDJQAQZKNQJP-VQIMIIECSA-N	1	0	365.481	1.820	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)C2(COC)CC2)[C@@H](n2ccnn2)C1	ZINC001129106793	885763935	/nfs/dbraw/zinc/76/39/35/885763935.db2.gz	REZVWUIVJFGHNJ-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)NCCCC)[C@H](C)C2)nc1	ZINC001106894733	885789544	/nfs/dbraw/zinc/78/95/44/885789544.db2.gz	UNOVKIIKPVYPQE-JFIYKMOQSA-N	1	0	370.497	1.665	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC[N@@H+]([C@@H](C)C(=O)NC)C2)CC1	ZINC001035237011	885799916	/nfs/dbraw/zinc/79/99/16/885799916.db2.gz	HSXLZBMHBULPHB-ULQDDVLXSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC[N@@H+]([C@H]3CCNC3=O)C2)CC1	ZINC001035237614	885801198	/nfs/dbraw/zinc/80/11/98/885801198.db2.gz	QJXSNQNIIKYUBM-ULQDDVLXSA-N	1	0	361.486	1.171	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)c2cnn(C)c2)[C@@H](n2ccnn2)C1	ZINC001129127965	885822755	/nfs/dbraw/zinc/82/27/55/885822755.db2.gz	PCFZIYAITFQJHT-NXHRZFHOSA-N	1	0	371.489	1.513	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)CCn2nc(C)cc2C)[C@@H](n2ccnn2)C1	ZINC001129143385	885857974	/nfs/dbraw/zinc/85/79/74/885857974.db2.gz	AOFYZYRZAVXEOJ-MSOLQXFVSA-N	1	0	371.489	1.489	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)C1	ZINC000919634891	885962554	/nfs/dbraw/zinc/96/25/54/885962554.db2.gz	LFYGJPBQRZMOLW-SJORKVTESA-N	1	0	372.473	1.260	20	30		FDEDRO
C#CCCCCCC(=O)N[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@@H]1n1ccnn1	ZINC001129180678	886026349	/nfs/dbraw/zinc/02/63/49/886026349.db2.gz	VPUCAYXBOPLFCD-KSZLIROESA-N	1	0	361.490	1.364	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)CC2CC(OCC)C2)[C@@H](n2ccnn2)C1	ZINC001129189355	886119529	/nfs/dbraw/zinc/11/95/29/886119529.db2.gz	MHOKGYJJGGLYMM-HIEASXQVSA-N	1	0	361.490	1.791	20	30		FDEDRO
C[C@@H](Nc1cncc(C#N)n1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001061889746	886224816	/nfs/dbraw/zinc/22/48/16/886224816.db2.gz	NSJODIPNJLOEOI-CKEIUWERSA-N	1	0	356.474	1.727	20	30		FDEDRO
CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000282138581	886333880	/nfs/dbraw/zinc/33/38/80/886333880.db2.gz	VHBBMTRYZJRFHQ-UHFFFAOYSA-N	1	0	372.347	1.853	20	30		FDEDRO
C=CCCC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](CC)OC)C[C@@H]2n2ccnn2)CC1	ZINC001129239158	886750471	/nfs/dbraw/zinc/75/04/71/886750471.db2.gz	QUFVNONNXHJNJT-ZACQAIPSSA-N	1	0	361.490	1.791	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CCCCC)C[C@@H]2n2ccnn2)c1	ZINC001129243566	886811225	/nfs/dbraw/zinc/81/12/25/886811225.db2.gz	SVYMRFIJZGIPGY-MSOLQXFVSA-N	1	0	352.442	1.500	20	30		FDEDRO
C[NH+]1CCC(NC(=S)N2CCN(c3cccc(F)c3C#N)CC2)CC1	ZINC000920310618	886857215	/nfs/dbraw/zinc/85/72/15/886857215.db2.gz	RZYVPTYGFJGVGF-UHFFFAOYSA-N	1	0	361.490	1.788	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)CC1	ZINC000920389254	886896131	/nfs/dbraw/zinc/89/61/31/886896131.db2.gz	CDHPSEIKOJGWOG-GOSISDBHSA-N	1	0	354.454	1.497	20	30		FDEDRO
N#CCOc1ccc(C[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)cc1	ZINC000920409845	886911958	/nfs/dbraw/zinc/91/19/58/886911958.db2.gz	OMFMYNSHQJCXMN-HNNXBMFYSA-N	1	0	356.378	1.847	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1)C1CC[NH+](C)CC1	ZINC000920412449	886915074	/nfs/dbraw/zinc/91/50/74/886915074.db2.gz	QRTJFLUMDQUIRY-INIZCTEOSA-N	1	0	358.490	1.128	20	30		FDEDRO
C=CCOCCCC(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001062097823	886946473	/nfs/dbraw/zinc/94/64/73/886946473.db2.gz	PQARJCBGIOYJTJ-KZNAEPCWSA-N	1	0	365.518	1.807	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CN(C)c3nc(C)cc(C#N)n3)C2)CC[N@@H+]1C	ZINC001062185704	886957997	/nfs/dbraw/zinc/95/79/97/886957997.db2.gz	UXTOCJBOBSTRQD-RYQLBKOJSA-N	1	0	370.501	1.672	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H](C)C(C)(F)F)[C@@H](n2ccnn2)C1	ZINC001129266986	887055488	/nfs/dbraw/zinc/05/54/88/887055488.db2.gz	SHHNKPBSTNTBQZ-MJBXVCDLSA-N	1	0	357.405	1.114	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)nc1	ZINC000370186804	887158160	/nfs/dbraw/zinc/15/81/60/887158160.db2.gz	UWWOGUNMJBRKTO-KXBFYZLASA-N	1	0	368.485	2.226	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1OC	ZINC000921132679	887471590	/nfs/dbraw/zinc/47/15/90/887471590.db2.gz	RJGWERKIVRSKIS-UHFFFAOYSA-N	1	0	370.247	1.720	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)n1	ZINC000415436442	887612028	/nfs/dbraw/zinc/61/20/28/887612028.db2.gz	JPSIXBHAFQCYTL-CHWSQXEVSA-N	1	0	356.405	2.522	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N[C@H]3CCCC[C@@H]3C[NH3+])n2)c(F)c1	ZINC000415462401	887664163	/nfs/dbraw/zinc/66/41/63/887664163.db2.gz	PLUTZVAKZPHKCP-HIFRSBDPSA-N	1	0	356.405	2.522	20	30		FDEDRO
N#Cc1ccnc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-]	ZINC000397633842	887741697	/nfs/dbraw/zinc/74/16/97/887741697.db2.gz	OTGSNKOHDNLRDY-UHFFFAOYSA-N	1	0	367.409	2.300	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2c(C)cc(C)cc2C)C[C@H]1OC	ZINC001212255173	887859779	/nfs/dbraw/zinc/85/97/79/887859779.db2.gz	GGQNISMWQDKJFO-DFQSSKMNSA-N	1	0	358.482	1.966	20	30		FDEDRO
Cc1cc(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)nn1CCC#N	ZINC000329373148	887935878	/nfs/dbraw/zinc/93/58/78/887935878.db2.gz	MSVIVKLWDHCSHB-HNNXBMFYSA-N	1	0	360.462	1.932	20	30		FDEDRO
C#CCN(C(=O)NCCOc1ccc(Cl)cn1)C1CC[NH+](C)CC1	ZINC000921459518	887952161	/nfs/dbraw/zinc/95/21/61/887952161.db2.gz	VDFMNWAKGGCQRQ-UHFFFAOYSA-N	1	0	350.850	1.853	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H]2Cc3cccc(O)c3C2)CC1	ZINC000429318828	887998370	/nfs/dbraw/zinc/99/83/70/887998370.db2.gz	PKOBLYSOVDCKCB-WMZOPIPTSA-N	1	0	356.470	1.141	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCc3ccccc32)C[C@H]1OC	ZINC001212258521	888082275	/nfs/dbraw/zinc/08/22/75/888082275.db2.gz	VCJASCBPFHRFPF-VAMGGRTRSA-N	1	0	356.466	1.919	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@H]1OC	ZINC001212262228	888153062	/nfs/dbraw/zinc/15/30/62/888153062.db2.gz	HUYHNZLIYNOOTF-RTBURBONSA-N	1	0	366.502	1.439	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCc2ccc(CC)cc2)C[C@H]1OC	ZINC001212264168	888222230	/nfs/dbraw/zinc/22/22/30/888222230.db2.gz	BNFQWXVBZLQCGO-NSISKUIASA-N	1	0	358.482	1.645	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)C[C@H]1OC	ZINC001212264152	888222674	/nfs/dbraw/zinc/22/26/74/888222674.db2.gz	BBYCTWRKNNUARL-CWFSZBLJSA-N	1	0	356.466	1.918	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)c1	ZINC000999776691	913267600	/nfs/dbraw/zinc/26/76/00/913267600.db2.gz	IIKMSHBVQWPGEN-ZGXWSNOMSA-N	1	0	369.465	1.690	20	30		FDEDRO
C=CCN1CC[C@@H]([NH+]2CCC(N(C)C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1=O	ZINC001006036562	888803502	/nfs/dbraw/zinc/80/35/02/888803502.db2.gz	PNXVTCKIUUPQIZ-TVFCKZIOSA-N	1	0	361.486	1.264	20	30		FDEDRO
CC(C)C#CC(=O)NC[C@H]1CC[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1	ZINC001060755787	888810550	/nfs/dbraw/zinc/81/05/50/888810550.db2.gz	PLGIYIREUOIKGJ-BRSBDYLESA-N	1	0	363.502	1.156	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2)C1CC[NH+](C)CC1	ZINC000923322931	888906356	/nfs/dbraw/zinc/90/63/56/888906356.db2.gz	RVJVLGFJGSOEKW-RTBURBONSA-N	1	0	374.529	1.369	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)CN2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)cc1	ZINC000923378318	889051562	/nfs/dbraw/zinc/05/15/62/889051562.db2.gz	GUMZPRSNKYICLF-YZGWKJHDSA-N	1	0	355.413	1.864	20	30		FDEDRO
FC(F)C(F)(F)CN1CC[NH2+]CCN(CC(F)(F)C(F)F)CC1	ZINC000923395374	889116307	/nfs/dbraw/zinc/11/63/07/889116307.db2.gz	MZQLQVXBTSOTRV-UHFFFAOYSA-N	1	0	357.289	1.994	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(NC(=O)C2CC[NH+](C)CC2)CC1	ZINC000946902438	889259594	/nfs/dbraw/zinc/25/95/94/889259594.db2.gz	UCLZAMXQMIYWCL-MSOLQXFVSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)N2CCCCC2=O)[C@H](OC)C1	ZINC001212279838	889277925	/nfs/dbraw/zinc/27/79/25/889277925.db2.gz	WTKQWGLEPZGYKD-BRWVUGGUSA-N	1	0	351.491	1.559	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C	ZINC000923487597	889413387	/nfs/dbraw/zinc/41/33/87/889413387.db2.gz	MVVUZDHTLBVLEW-IAGOWNOFSA-N	1	0	351.491	1.700	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC000938912275	889546677	/nfs/dbraw/zinc/54/66/77/889546677.db2.gz	WWBJZQBSZPVRPA-BBWFWOEESA-N	1	0	361.486	1.123	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1	ZINC001006123909	889576412	/nfs/dbraw/zinc/57/64/12/889576412.db2.gz	OGLNNKOKAAHKTQ-JLSDUUJJSA-N	1	0	363.502	1.558	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cn1	ZINC000938968589	889721728	/nfs/dbraw/zinc/72/17/28/889721728.db2.gz	KRQVSTFFWUHAKB-CEXWTWQISA-N	1	0	368.481	1.466	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C(=O)N(C)C)cc1	ZINC001127608810	889727614	/nfs/dbraw/zinc/72/76/14/889727614.db2.gz	HZRGKVAOXIYGJT-MSOLQXFVSA-N	1	0	359.470	1.575	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)C[C@]2(O)CCC[N@H+](Cc3ccccc3)C2)C1	ZINC000923555461	889771866	/nfs/dbraw/zinc/77/18/66/889771866.db2.gz	QUHCVZOFVSVQQZ-IFMALSPDSA-N	1	0	369.509	1.617	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1	ZINC000999896277	913382826	/nfs/dbraw/zinc/38/28/26/913382826.db2.gz	PYZIXUREMPWFLI-WMZOPIPTSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H](NC(=O)C=CC(=O)Nc2ccc3n[nH]cc3c2)C1	ZINC000923564579	889854963	/nfs/dbraw/zinc/85/49/63/889854963.db2.gz	ACFQTXVHEPUUES-XITLMJRVSA-N	1	0	351.410	1.271	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NCc1cccs1	ZINC001127612990	889930853	/nfs/dbraw/zinc/93/08/53/889930853.db2.gz	JPEZRFWMHOFAKS-BMFZPTHFSA-N	1	0	365.499	1.440	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)c1ccc(F)cc1F	ZINC001127613120	889939397	/nfs/dbraw/zinc/93/93/97/889939397.db2.gz	QKXRFMNSPNTBQY-OIISXLGYSA-N	1	0	354.397	1.685	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2ccnc2)[C@@H](n2ccnn2)C1	ZINC001129289069	890067564	/nfs/dbraw/zinc/06/75/64/890067564.db2.gz	PXDNTRISTFZUGC-BBWFWOEESA-N	1	0	357.462	1.434	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2ccnc2)[C@@H](n2ccnn2)C1	ZINC001129288629	890072854	/nfs/dbraw/zinc/07/28/54/890072854.db2.gz	GKDIJLIEJLYNKC-ZACQAIPSSA-N	1	0	357.462	1.434	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(NC(=O)CCCC[NH+](C)C)CCC1	ZINC001063205248	890295113	/nfs/dbraw/zinc/29/51/13/890295113.db2.gz	GMERLFFOFLZNIS-WMZOPIPTSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1OC	ZINC001212337262	890319539	/nfs/dbraw/zinc/31/95/39/890319539.db2.gz	FTJGCYKBRVNUIU-RBSFLKMASA-N	1	0	371.909	1.497	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCCN(c3nccnc3C#N)C2)CC[N@@H+]1C	ZINC001063240684	890374977	/nfs/dbraw/zinc/37/49/77/890374977.db2.gz	BPXLAABSCVDQCA-HLLBOEOZSA-N	1	0	356.474	1.554	20	30		FDEDRO
C=C1CCC(C(=O)N2CC[C@@H](N(C)C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)CC1	ZINC000939474007	890717435	/nfs/dbraw/zinc/71/74/35/890717435.db2.gz	FRRJNUSIRWRTLD-KBAYOESNSA-N	1	0	363.502	1.511	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1	ZINC000939491519	890746115	/nfs/dbraw/zinc/74/61/15/890746115.db2.gz	ZFUGAAMUCOGOCJ-RHSMWYFYSA-N	1	0	357.458	1.195	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)c1occc1C[NH+](C)C	ZINC000939593092	890939662	/nfs/dbraw/zinc/93/96/62/890939662.db2.gz	KDRAUGBLPGDRFA-MLGOLLRUSA-N	1	0	369.425	1.431	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCC1CC[NH+](Cc2ccccc2C#N)CC1	ZINC001001844314	891424057	/nfs/dbraw/zinc/42/40/57/891424057.db2.gz	MSVQWVQMZCKISU-RBUKOAKNSA-N	1	0	368.481	1.611	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(C#N)c[nH]2)C3)CC[N@@H+]1C	ZINC001001903908	891549056	/nfs/dbraw/zinc/54/90/56/891549056.db2.gz	IAGDNXOSLCSXHR-SQDXWYPISA-N	1	0	369.469	1.478	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC[NH+](CCc2ccnn2C)CC1	ZINC001001932348	891620089	/nfs/dbraw/zinc/62/00/89/891620089.db2.gz	YZRCWNPRUCZTET-OALUTQOASA-N	1	0	360.502	1.772	20	30		FDEDRO
CC#CC[NH+]1CCC(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1	ZINC001001924651	891622533	/nfs/dbraw/zinc/62/25/33/891622533.db2.gz	NBBWHVCYTWPZTL-AZUAARDMSA-N	1	0	368.481	1.453	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C)c1	ZINC000940010943	891625872	/nfs/dbraw/zinc/62/58/72/891625872.db2.gz	KRURZZIAFRCPRM-RHSMWYFYSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c(F)cccc2F)C[C@H]1C	ZINC001106916150	891764718	/nfs/dbraw/zinc/76/47/18/891764718.db2.gz	CAMIPRUVRZPNAM-MGPQQGTHSA-N	1	0	365.424	1.953	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c[nH]c(C#N)c2)C3)CC[N@@H+]1C	ZINC001002131640	891966725	/nfs/dbraw/zinc/96/67/25/891966725.db2.gz	ZDZVOUUVKUEYSE-QXWBOSQLSA-N	1	0	369.469	1.478	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1	ZINC001002149673	891992021	/nfs/dbraw/zinc/99/20/21/891992021.db2.gz	AFYKTDXOFLIAFX-BZSNNMDCSA-N	1	0	365.518	1.519	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1	ZINC001002149679	891992035	/nfs/dbraw/zinc/99/20/35/891992035.db2.gz	AJQUZMJRBVNQFW-BZSNNMDCSA-N	1	0	363.502	1.273	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1	ZINC001002196669	892210926	/nfs/dbraw/zinc/21/09/26/892210926.db2.gz	XNOPZPOYPJCTRG-ZWOKBUDYSA-N	1	0	361.486	1.028	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001002258918	892397986	/nfs/dbraw/zinc/39/79/86/892397986.db2.gz	VVJOULVIXWAVCN-MLHJIOFPSA-N	1	0	363.502	1.273	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C2CC2)[C@H](C)C1	ZINC001106921045	892577179	/nfs/dbraw/zinc/57/71/79/892577179.db2.gz	TYXMBGMRHFAJIS-VQIMIIECSA-N	1	0	367.493	1.515	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCCN2C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC001002339898	892613420	/nfs/dbraw/zinc/61/34/20/892613420.db2.gz	TZHHLGHLIGEYKQ-XYJFISCASA-N	1	0	371.485	1.680	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCCN2C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC001002394437	892781970	/nfs/dbraw/zinc/78/19/70/892781970.db2.gz	IDRZUZYFIWSGOC-XYJFISCASA-N	1	0	371.485	1.680	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)ccc1F	ZINC000921913541	892797336	/nfs/dbraw/zinc/79/73/36/892797336.db2.gz	ZZRILMSGBOAASV-AWEZNQCLSA-N	1	0	353.419	1.229	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1	ZINC000940718875	893004705	/nfs/dbraw/zinc/00/47/05/893004705.db2.gz	MQITWRHUJHVRCM-IKGGRYGDSA-N	1	0	361.486	1.313	20	30		FDEDRO
CS(=O)(=O)N1CC[C@@H](C[NH2+]Cc2cc(C#N)ccc2Br)C1	ZINC000921928261	893029708	/nfs/dbraw/zinc/02/97/08/893029708.db2.gz	SRMDRSZXWWIADV-LBPRGKRZSA-N	1	0	372.288	1.692	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccccc2OCC)C[C@H]1C	ZINC001106939678	893105020	/nfs/dbraw/zinc/10/50/20/893105020.db2.gz	GOCNZMRSCWOYSI-IXDOHACOSA-N	1	0	371.481	1.521	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2nn(C)c3ccccc23)CC1	ZINC000672357142	893178244	/nfs/dbraw/zinc/17/82/44/893178244.db2.gz	RFWFSWNQCICXHN-UHFFFAOYSA-N	1	0	369.469	1.346	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C(C)(C)C1	ZINC000940811394	893278630	/nfs/dbraw/zinc/27/86/30/893278630.db2.gz	JFCCVOFLOVQNSL-GUDVDZBRSA-N	1	0	356.466	1.993	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)C[C@@H](C)n2ccnc2)CC1	ZINC000941073479	893772855	/nfs/dbraw/zinc/77/28/55/893772855.db2.gz	CFNWSSNAJSCFFW-ZACQAIPSSA-N	1	0	360.458	1.486	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1	ZINC000672579998	894035090	/nfs/dbraw/zinc/03/50/90/894035090.db2.gz	MRDDMWYUVHUJMJ-QGZVFWFLSA-N	1	0	359.470	1.857	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC000941216277	894291079	/nfs/dbraw/zinc/29/10/79/894291079.db2.gz	NWRPLNWKUWHJQG-YLJYHZDGSA-N	1	0	367.493	1.612	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000672637348	894347549	/nfs/dbraw/zinc/34/75/49/894347549.db2.gz	FGRQGNCNYNXGNJ-JKSUJKDBSA-N	1	0	350.507	1.132	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2	ZINC001002828022	894372331	/nfs/dbraw/zinc/37/23/31/894372331.db2.gz	OXYDCKDTNWDBOA-AQNXPRMDSA-N	1	0	365.477	1.554	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1ccc(C(=O)OC)cc1	ZINC000922024690	894515329	/nfs/dbraw/zinc/51/53/29/894515329.db2.gz	HXCFMJSQNDIDAA-UHFFFAOYSA-N	1	0	364.467	1.332	20	30		FDEDRO
C=CCN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3C[C@H]3c3ccncc3)CC2)C1=O	ZINC001002848953	894595630	/nfs/dbraw/zinc/59/56/30/894595630.db2.gz	MSKVEBGRFYMZHM-OTWHNJEPSA-N	1	0	368.481	1.553	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)cc2C)C[C@H]1C	ZINC001106955005	894717598	/nfs/dbraw/zinc/71/75/98/894717598.db2.gz	NABFNDSPJQYRMB-QZTJIDSGSA-N	1	0	355.482	1.659	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cnnn3)cc2)C[C@H]1C	ZINC001106957115	894959987	/nfs/dbraw/zinc/95/99/87/894959987.db2.gz	PHHDURQTVQFIRM-NVXWUHKLSA-N	1	0	354.458	1.926	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1	ZINC000941785623	895689201	/nfs/dbraw/zinc/68/92/01/895689201.db2.gz	KMRRTCBCZPIMHA-HLIPFELVSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@H](OC)C1	ZINC000942132834	896461091	/nfs/dbraw/zinc/46/10/91/896461091.db2.gz	MAKIQXRBWMDQSX-BRWVUGGUSA-N	1	0	365.518	1.805	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1	ZINC000671103616	896621037	/nfs/dbraw/zinc/62/10/37/896621037.db2.gz	MXWCLVWMOVQOII-IRXDYDNUSA-N	1	0	357.454	1.611	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC2(CCOCC2)C1	ZINC001089947609	896812026	/nfs/dbraw/zinc/81/20/26/896812026.db2.gz	LGTHFZKACBGJGW-WXJALIKYSA-N	1	0	360.498	1.973	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3CC(C)C)C2)CC1	ZINC000942452966	897073300	/nfs/dbraw/zinc/07/33/00/897073300.db2.gz	XYUQOMTZTGFERW-GUDVDZBRSA-N	1	0	359.514	1.731	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c(C)onc2CC)C[C@H]1C	ZINC001106975509	897283630	/nfs/dbraw/zinc/28/36/30/897283630.db2.gz	VGDLQJGOXJFWOW-UMVBOHGHSA-N	1	0	362.474	1.534	20	30		FDEDRO
C=C(C)C[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@H]3OCC[C@H]3C)C2)n1	ZINC001128118098	897303003	/nfs/dbraw/zinc/30/30/03/897303003.db2.gz	KSEXNZHVVSXQTJ-SUMDDJOVSA-N	1	0	358.486	1.867	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCc3cnn(C)c3)C[C@H]21	ZINC001084352773	914157441	/nfs/dbraw/zinc/15/74/41/914157441.db2.gz	NTUNKJWJXZHFRV-MKXGPGLRSA-N	1	0	358.486	1.477	20	30		FDEDRO
CC#CC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)n1	ZINC001128133127	897438643	/nfs/dbraw/zinc/43/86/43/897438643.db2.gz	RHXLZUKPXAQVOH-MKXGPGLRSA-N	1	0	368.481	1.457	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H](OC)C1	ZINC000942613343	897544158	/nfs/dbraw/zinc/54/41/58/897544158.db2.gz	WTYLGEYHLVCRBF-IXDOHACOSA-N	1	0	365.518	1.661	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(CC#Cc4ccccc4)C[C@H]32)CC[N@@H+]1C	ZINC001084355779	914172168	/nfs/dbraw/zinc/17/21/68/914172168.db2.gz	HNXFEQSSJHHKFU-CWJKEVGVSA-N	1	0	351.494	1.911	20	30		FDEDRO
C[C@H](C(=O)N[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H]1O)c1cccnc1	ZINC001078023568	897616490	/nfs/dbraw/zinc/61/64/90/897616490.db2.gz	DJFZQZUDEQPVAH-MJXNMMHHSA-N	1	0	368.412	1.557	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1O	ZINC001078028086	897658777	/nfs/dbraw/zinc/65/87/77/897658777.db2.gz	XYWIWBVSVAIPGS-QZTJIDSGSA-N	1	0	357.454	1.449	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@H]2OCCO[C@H]2C)C1	ZINC000995269435	897671068	/nfs/dbraw/zinc/67/10/68/897671068.db2.gz	WLCHOPQDHYVDJQ-WDSOQIARSA-N	1	0	359.470	1.722	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O	ZINC001078228096	898431507	/nfs/dbraw/zinc/43/15/07/898431507.db2.gz	CRCKLPLKLBQEFL-VAMGGRTRSA-N	1	0	355.482	1.074	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2ocnc2C)C1	ZINC001078402725	898735173	/nfs/dbraw/zinc/73/51/73/898735173.db2.gz	WSTTYCBRYOYRRP-BBWFWOEESA-N	1	0	363.458	1.671	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cccnc2C)C1	ZINC001078472407	898803466	/nfs/dbraw/zinc/80/34/66/898803466.db2.gz	WUXWQSMKXODSJU-QRVBRYPASA-N	1	0	359.470	1.688	20	30		FDEDRO
C[C@@H]1CCO[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001078472502	898804261	/nfs/dbraw/zinc/80/42/61/898804261.db2.gz	YXXSRWFGGPKBCJ-LZQZEXGQSA-N	1	0	357.454	1.690	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CC2CC(F)(F)C2)C1	ZINC001078474012	898806571	/nfs/dbraw/zinc/80/65/71/898806571.db2.gz	RAGAXLLQHGSNRR-OAGGEKHMSA-N	1	0	358.429	1.830	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2nc(C)c(C)s2)C[C@H]1C	ZINC001107000166	898944373	/nfs/dbraw/zinc/94/43/73/898944373.db2.gz	ISDVWUUNVWKJQT-UXIGCNINSA-N	1	0	364.515	1.748	20	30		FDEDRO
CCc1nc(C#N)cc(NC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)n1	ZINC001061014281	899055498	/nfs/dbraw/zinc/05/54/98/899055498.db2.gz	KEQOGPSOBNDRNG-BHYGNILZSA-N	1	0	370.501	1.901	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)COc2ccc(C(N)=O)cc2)C[C@H]1C	ZINC001107001467	899064007	/nfs/dbraw/zinc/06/40/07/899064007.db2.gz	UDBPYTYCOJOSEH-IUODEOHRSA-N	1	0	365.861	1.601	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)CCOC)C[C@H]1C	ZINC001107005117	899148012	/nfs/dbraw/zinc/14/80/12/899148012.db2.gz	VIYCOFRXQNOSMP-RCCFBDPRSA-N	1	0	367.534	1.768	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(CNC(C)=O)c2)C[C@H]1C	ZINC001107002541	899159082	/nfs/dbraw/zinc/15/90/82/899159082.db2.gz	FMNBLQSJFZGPCM-OXQOHEQNSA-N	1	0	371.481	1.270	20	30		FDEDRO
C=CCCOCC(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1	ZINC001061022728	899294621	/nfs/dbraw/zinc/29/46/21/899294621.db2.gz	VBMPOKFZWWWAPP-IAGOWNOFSA-N	1	0	363.502	1.370	20	30		FDEDRO
C=CCC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1	ZINC001001831705	899491243	/nfs/dbraw/zinc/49/12/43/899491243.db2.gz	ZXMLEHRJAVZDRM-ZWKOTPCHSA-N	1	0	363.502	1.561	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC000944052264	899772664	/nfs/dbraw/zinc/77/26/64/899772664.db2.gz	FYSQDINYGTVKJS-IXDOHACOSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C	ZINC000944104313	899860880	/nfs/dbraw/zinc/86/08/80/899860880.db2.gz	BVEXOKWGYRBGEE-XDNAFOTISA-N	1	0	365.518	1.805	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C	ZINC000944266649	900035163	/nfs/dbraw/zinc/03/51/63/900035163.db2.gz	NOXCUMVBDUWNQK-WCXIOVBPSA-N	1	0	351.491	1.271	20	30		FDEDRO
CCC[C@@H](CC(C)C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001107055965	900185184	/nfs/dbraw/zinc/18/51/84/900185184.db2.gz	PBIMXTBFXNKQED-IXDOHACOSA-N	1	0	350.507	1.773	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC[C@H](C)C2)[C@H](C)C1	ZINC001107058878	900292297	/nfs/dbraw/zinc/29/22/97/900292297.db2.gz	FPBWKFDVOQJVMD-RCCFBDPRSA-N	1	0	365.518	1.522	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]Cc2nc([C@H](C)OC)no2)[C@H](C)C1	ZINC001107059083	900310244	/nfs/dbraw/zinc/31/02/44/900310244.db2.gz	QKWXLEQEGMMYEW-QLFBSQMISA-N	1	0	366.462	1.554	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnc(CC)s2)C[C@H]1C	ZINC001107060690	900364979	/nfs/dbraw/zinc/36/49/79/900364979.db2.gz	ISXDVMKIDCOPJE-HZSPNIEDSA-N	1	0	364.515	1.694	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C(N)=O)cc2)[C@H](C)C1	ZINC001107062696	900375939	/nfs/dbraw/zinc/37/59/39/900375939.db2.gz	PQHDORPJVYZLIF-IIDMSEBBSA-N	1	0	359.470	1.561	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(C)(C)C)[C@H](C)C1	ZINC001107062851	900390192	/nfs/dbraw/zinc/39/01/92/900390192.db2.gz	VYGYLCGMJZDSQX-BZUAXINKSA-N	1	0	353.507	1.566	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cnc(OC)nc2C)[C@H](C)C1	ZINC001107062962	900392582	/nfs/dbraw/zinc/39/25/82/900392582.db2.gz	XQDPFQFAYCFNRJ-UKPHBRMFSA-N	1	0	362.474	1.569	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C(C)C)C(C)C)[C@H](C)C1	ZINC001107063040	900448221	/nfs/dbraw/zinc/44/82/21/900448221.db2.gz	AADSCFGBGGHNDL-FGTMMUONSA-N	1	0	367.534	1.907	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CC(=C)C)[C@H](C)C1	ZINC001107063569	900449347	/nfs/dbraw/zinc/44/93/47/900449347.db2.gz	SWJCQLLZYJLBPG-FGTMMUONSA-N	1	0	365.518	1.686	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(F)s2)C[C@H]1C	ZINC001107071531	900496826	/nfs/dbraw/zinc/49/68/26/900496826.db2.gz	MGYNFRXPDXYNRZ-JHJVBQTASA-N	1	0	351.447	1.323	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2coc3ccccc32)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001107080944	900605451	/nfs/dbraw/zinc/60/54/51/900605451.db2.gz	GQZQIZXWIZTFCU-ZIAGYGMSSA-N	1	0	354.410	1.370	20	30		FDEDRO
C[C@@H]1CN(C(=O)COC[C@@H]2CCCO2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001107090651	900773448	/nfs/dbraw/zinc/77/34/48/900773448.db2.gz	PADFDDCAEFRFTJ-AHRSYUTCSA-N	1	0	371.481	1.938	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1)N1CCOCC1	ZINC001107096730	900886584	/nfs/dbraw/zinc/88/65/84/900886584.db2.gz	AXXLENACQOHSMY-SVFBPWRDSA-N	1	0	369.509	1.443	20	30		FDEDRO
C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O	ZINC001077582830	901280637	/nfs/dbraw/zinc/28/06/37/901280637.db2.gz	UVVYTAMFYREDCM-QZTJIDSGSA-N	1	0	368.437	1.188	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccc(C#N)nn2)CC[N@@H+]1C	ZINC001064544032	901395715	/nfs/dbraw/zinc/39/57/15/901395715.db2.gz	BJHJZZVJQMNGQE-MXASKKJJSA-N	1	0	354.458	1.258	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CCN(c4ccc(C#N)nn4)C3)C2)CC[N@@H+]1C	ZINC001064650342	901521030	/nfs/dbraw/zinc/52/10/30/901521030.db2.gz	VTWHISCGFQQDES-QKLQHJQFSA-N	1	0	368.485	1.507	20	30		FDEDRO
C[N@@H+]1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000272887178	901629037	/nfs/dbraw/zinc/62/90/37/901629037.db2.gz	YRGNBOGKWDWALZ-KRWDZBQOSA-N	1	0	355.442	1.401	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cc[n+]([O-])cc2)C1	ZINC001079122517	901919132	/nfs/dbraw/zinc/91/91/32/901919132.db2.gz	DULKNMIWCMZJMN-WOJBJXKFSA-N	1	0	367.449	1.584	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnn(C)c2C)C1	ZINC001079125902	901923422	/nfs/dbraw/zinc/92/34/22/901923422.db2.gz	HRSICYBLZNFATQ-WOJBJXKFSA-N	1	0	368.481	1.992	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccnn2C)C1	ZINC001079128136	901930990	/nfs/dbraw/zinc/93/09/90/901930990.db2.gz	LSPPPOKANSWNKI-RTBURBONSA-N	1	0	354.454	1.684	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2COCCO2)C1	ZINC001079128050	901931611	/nfs/dbraw/zinc/93/16/11/901931611.db2.gz	HMDCVPRDGBZTSA-QRVBRYPASA-N	1	0	360.454	1.052	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCNC(=O)C2)C1	ZINC001079132267	901943872	/nfs/dbraw/zinc/94/38/72/901943872.db2.gz	CBYDVHSZBSISDN-GUDVDZBRSA-N	1	0	371.481	1.163	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cccnn2)C1	ZINC001079146343	901965386	/nfs/dbraw/zinc/96/53/86/901965386.db2.gz	GJLLHUXKPVXIPO-RTBURBONSA-N	1	0	352.438	1.740	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)CC[C@H]1c1ccc(F)cc1	ZINC001079150075	901981421	/nfs/dbraw/zinc/98/14/21/901981421.db2.gz	AEKSBLGJGQZZER-RYQLBKOJSA-N	1	0	359.445	1.812	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)c1	ZINC001127718200	901991942	/nfs/dbraw/zinc/99/19/42/901991942.db2.gz	JTKILRYVYGKNNP-ZIFCJYIRSA-N	1	0	351.450	1.915	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccnn2CC)C1	ZINC001079133568	901992306	/nfs/dbraw/zinc/99/23/06/901992306.db2.gz	OCVFYZUXGNYZTF-WOJBJXKFSA-N	1	0	366.465	1.614	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CCn2cncn2)C1	ZINC001079174864	902058075	/nfs/dbraw/zinc/05/80/75/902058075.db2.gz	KGMHVRZMUMWUMP-RRQGHBQHSA-N	1	0	356.405	1.161	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]Cc2cnn(C)c2)C1	ZINC001079174986	902058651	/nfs/dbraw/zinc/05/86/51/902058651.db2.gz	PMFSIOIUELBDAH-DOPJRALCSA-N	1	0	355.417	1.803	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc(=O)n2C)CC[C@H]1c1ccc(F)cc1	ZINC001079158258	902079097	/nfs/dbraw/zinc/07/90/97/902079097.db2.gz	ZYVBOZZTNBPMTJ-ZWKOTPCHSA-N	1	0	367.424	1.746	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2OC)CC[C@H]1c1ccc(F)cc1	ZINC001079161586	902087127	/nfs/dbraw/zinc/08/71/27/902087127.db2.gz	YEKQNRVJYLRAOX-FUHWJXTLSA-N	1	0	370.428	1.789	20	30		FDEDRO
C[C@H](C#N)C(=O)NCCCCC[NH+]1CCN(C(=O)[C@]23C[C@H]2CCC3)CC1	ZINC001079166089	902096620	/nfs/dbraw/zinc/09/66/20/902096620.db2.gz	UPOWPPCPKUMWPO-MBOZVWFJSA-N	1	0	360.502	1.767	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]C[C@H](C)O)C2)c1	ZINC001079198657	902097499	/nfs/dbraw/zinc/09/74/99/902097499.db2.gz	LYHGWZJTVDULQZ-PNHOKKKMSA-N	1	0	367.424	1.781	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCN(C(C)=O)C2)C[C@H]1c1cccc(F)c1	ZINC001079205899	902111254	/nfs/dbraw/zinc/11/12/54/902111254.db2.gz	KIRZRXQKQNOJQW-QKNQBKEWSA-N	1	0	371.456	1.601	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3n[nH]cc3C2)C[C@H]1c1cccc(F)c1	ZINC001079206886	902112607	/nfs/dbraw/zinc/11/26/07/902112607.db2.gz	BWPHMCLGEBZRDY-ZAAXVRCTSA-N	1	0	366.440	1.871	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccn(CC)n2)C[C@H]1c1cccc(F)c1	ZINC001079185606	902130309	/nfs/dbraw/zinc/13/03/09/902130309.db2.gz	ZVUPQAMAZNYXCR-RBUKOAKNSA-N	1	0	354.429	1.802	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc3n2CCOC3)C[C@H]1c1cccc(F)c1	ZINC001079187708	902134917	/nfs/dbraw/zinc/13/49/17/902134917.db2.gz	VCSRTQLDUOBBJM-DLBZAZTESA-N	1	0	368.412	1.383	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3nccn3C2)C[C@H]1c1cccc(F)c1	ZINC001079188704	902136979	/nfs/dbraw/zinc/13/69/79/902136979.db2.gz	MQFJBYIZEPVYSN-YTQUADARSA-N	1	0	366.440	1.802	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc(C(N)=O)c2)C[C@H]1c1cccc(F)c1	ZINC001079189428	902141447	/nfs/dbraw/zinc/14/14/47/902141447.db2.gz	OOYWMZKLQTZWBX-RBUKOAKNSA-N	1	0	365.408	1.756	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCNC(=O)C2)C[C@H]1c1cccc(F)c1	ZINC001079189786	902143412	/nfs/dbraw/zinc/14/34/12/902143412.db2.gz	ZRZUHUQKFVNJLZ-SQGPQFPESA-N	1	0	357.429	1.259	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1c1cccc(F)c1	ZINC001079194951	902156046	/nfs/dbraw/zinc/15/60/46/902156046.db2.gz	VNCFMQPNCZKHOM-OKZBNKHCSA-N	1	0	359.445	1.764	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)CC[C@H]3CCOC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079234560	902171721	/nfs/dbraw/zinc/17/17/21/902171721.db2.gz	REINPRCTDYTWOE-GBESFXJTSA-N	1	0	360.498	1.766	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3nccc(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079239402	902185716	/nfs/dbraw/zinc/18/57/16/902185716.db2.gz	QVXBQQBOVSBEGX-DLBZAZTESA-N	1	0	356.470	1.914	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC2(CCN(CC#N)CC2)[C@H]2COC[C@H]21	ZINC001079240780	902190199	/nfs/dbraw/zinc/19/01/99/902190199.db2.gz	CBYUKJIAOQIEDZ-OKZBNKHCSA-N	1	0	360.502	1.322	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CN(C(=O)Cn3nccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079241752	902193766	/nfs/dbraw/zinc/19/37/66/902193766.db2.gz	AKLRDWBKUMXQOR-DLBZAZTESA-N	1	0	359.474	1.184	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cc(C)nnc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079241942	902195116	/nfs/dbraw/zinc/19/51/16/902195116.db2.gz	KOYJXKFXKDMAOL-RBUKOAKNSA-N	1	0	368.481	1.670	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(C[NH+](C)C)cc2)C1	ZINC000995801028	902235541	/nfs/dbraw/zinc/23/55/41/902235541.db2.gz	WHDCKGBYUGFAKI-MOPGFXCFSA-N	1	0	371.481	1.670	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)Cc3ccc(F)cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079248198	902264013	/nfs/dbraw/zinc/26/40/13/902264013.db2.gz	LVLBRJFPNFVZQG-ZWKOTPCHSA-N	1	0	359.445	1.889	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)Cc3cc(C)nn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079251086	902270578	/nfs/dbraw/zinc/27/05/78/902270578.db2.gz	FIXAXPYAVLLSGI-RBUKOAKNSA-N	1	0	370.497	1.234	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ccc(C)c(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079251470	902273581	/nfs/dbraw/zinc/27/35/81/902273581.db2.gz	YVRFDQVWVMPCFU-PKOBYXMFSA-N	1	0	353.466	1.885	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCO[C@H]3C3CC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079252195	902274430	/nfs/dbraw/zinc/27/44/30/902274430.db2.gz	CHFONUDDUMZWGM-HCXYKTFWSA-N	1	0	360.498	1.927	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH]cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079265564	902312718	/nfs/dbraw/zinc/31/27/18/902312718.db2.gz	PBOPOZBMINFRTF-BPQIPLTHSA-N	1	0	358.486	1.714	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cnn(CC)c3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079268093	902319771	/nfs/dbraw/zinc/31/97/71/902319771.db2.gz	MKWXQMRVDFNGOJ-RBUKOAKNSA-N	1	0	370.497	1.788	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3c[nH]c(C)cc3=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079269395	902326275	/nfs/dbraw/zinc/32/62/75/902326275.db2.gz	WFSFZKCNYWGQSR-ZWKOTPCHSA-N	1	0	369.465	1.260	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC(=O)N3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079272805	902337792	/nfs/dbraw/zinc/33/77/92/902337792.db2.gz	YUKUNPYQGWMDCS-YESZJQIVSA-N	1	0	361.486	1.123	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)Cc3ccn(CC)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079243199	902340633	/nfs/dbraw/zinc/34/06/33/902340633.db2.gz	RFAJHKMRYPIMMX-RBUKOAKNSA-N	1	0	370.497	1.408	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3ccncc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079243170	902340735	/nfs/dbraw/zinc/34/07/35/902340735.db2.gz	PVFIHXMCEUKSHY-ZGXWSNOMSA-N	1	0	365.477	1.758	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1c1ccccc1F	ZINC001079299168	902341608	/nfs/dbraw/zinc/34/16/08/902341608.db2.gz	AMJHJAMNVCOOSZ-IWKCEXAMSA-N	1	0	361.461	1.615	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN(C(C)=O)C2)C[C@H]1c1ccccc1F	ZINC001079301511	902348942	/nfs/dbraw/zinc/34/89/42/902348942.db2.gz	ATRVEOWBDXOHHO-IMFGXOCKSA-N	1	0	371.456	1.601	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cnnn2CC)C(C)(C)C1	ZINC000995831410	902352615	/nfs/dbraw/zinc/35/26/15/902352615.db2.gz	KJJMGMLURJUHOL-IKGGRYGDSA-N	1	0	361.490	1.606	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3c(C)nsc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079276036	902360308	/nfs/dbraw/zinc/36/03/08/902360308.db2.gz	YSGPMUSECJQJRE-JKSUJKDBSA-N	1	0	359.495	1.946	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc(C)n(C(C)C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079276563	902361880	/nfs/dbraw/zinc/36/18/80/902361880.db2.gz	QADWVUSUBRLUGE-PKOBYXMFSA-N	1	0	370.497	1.959	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CCn2cncn2)C1	ZINC001079295261	902397246	/nfs/dbraw/zinc/39/72/46/902397246.db2.gz	XSOVFGFZGMGRJH-PKOBYXMFSA-N	1	0	367.428	1.415	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2coc(COC)n2)C[C@H]1c1ccccc1F	ZINC001079317260	902414407	/nfs/dbraw/zinc/41/44/07/902414407.db2.gz	XPZJMAPYHUEPMT-GOEBONIOSA-N	1	0	357.385	1.791	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(OC)cc[nH]c2=O)C[C@H]1c1ccccc1F	ZINC001079318714	902418915	/nfs/dbraw/zinc/41/89/15/902418915.db2.gz	UPAGCKYUQMFMIH-GOEBONIOSA-N	1	0	369.396	1.766	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cn2nc(C)ccc2=O)C[C@H]1c1ccccc1F	ZINC001079318560	902419072	/nfs/dbraw/zinc/41/90/72/902419072.db2.gz	LEWRUKWFUGGMDT-FUHWJXTLSA-N	1	0	370.428	1.461	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CN2CCCCCC2=O)C[C@H]1c1ccccc1F	ZINC001079320927	902422904	/nfs/dbraw/zinc/42/29/04/902422904.db2.gz	RUKKVAWEDJKDFX-PKOBYXMFSA-N	1	0	371.456	1.746	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@H]1c1ccccc1F	ZINC001079321031	902423136	/nfs/dbraw/zinc/42/31/36/902423136.db2.gz	XNMHOHRUKZAULT-FUHWJXTLSA-N	1	0	355.413	1.758	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccn3nnnc3c2)C[C@H]1c1ccccc1F	ZINC001079305095	902435004	/nfs/dbraw/zinc/43/50/04/902435004.db2.gz	KXUPVBUSGGTLNN-DOTOQJQBSA-N	1	0	364.384	1.094	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)N2C[C@@H](c3ccccc3F)[C@H](NCC#N)C2)C1	ZINC001079311359	902447174	/nfs/dbraw/zinc/44/71/74/902447174.db2.gz	WOCBLCRCOFBSEI-FUHWJXTLSA-N	1	0	358.461	1.965	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@H]1c1ccccc1F	ZINC001079312103	902447810	/nfs/dbraw/zinc/44/78/10/902447810.db2.gz	KHAFCXAGCIPVCS-VXIBKDFQSA-N	1	0	366.440	1.880	20	30		FDEDRO
C=CCn1cccc1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C2	ZINC000995928248	902648885	/nfs/dbraw/zinc/64/88/85/902648885.db2.gz	HOEXHEXLAHOBPA-LTIDMASMSA-N	1	0	356.470	1.630	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)c1cccc(=O)[nH]1	ZINC001079532658	902730072	/nfs/dbraw/zinc/73/00/72/902730072.db2.gz	IBYZXUPHSKHBMK-RDTXWAMCSA-N	1	0	366.421	1.940	20	30		FDEDRO
COc1cccc([C@H](O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)c1	ZINC001079539741	902774619	/nfs/dbraw/zinc/77/46/19/902774619.db2.gz	LHDGKJCKKZZJTH-UPRAQXHNSA-N	1	0	368.437	1.679	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1(C)C	ZINC000995961682	902798894	/nfs/dbraw/zinc/79/88/94/902798894.db2.gz	SOEHBOPGNHXTLY-UTUOFQBUSA-N	1	0	370.799	1.912	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C[C@@H]3COC(=O)C3)C2)cc1C#N	ZINC001079572371	902812417	/nfs/dbraw/zinc/81/24/17/902812417.db2.gz	PPJZSNJSLGUEON-UKPHBRMFSA-N	1	0	371.437	1.457	20	30		FDEDRO
C[NH+](C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C#N)c[nH]1)C2)C1CC1	ZINC000996004486	902881546	/nfs/dbraw/zinc/88/15/46/902881546.db2.gz	ACQDIOSUTIDIOT-OHFALNGGSA-N	1	0	355.442	1.088	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[NH+]3CCC2CC3)c1	ZINC000996006853	902885384	/nfs/dbraw/zinc/88/53/84/902885384.db2.gz	GSBHXFNSDHOXEW-CBZIJGRNSA-N	1	0	367.453	1.090	20	30		FDEDRO
C[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC001079600974	902898579	/nfs/dbraw/zinc/89/85/79/902898579.db2.gz	BJUVOHQGJSVRQF-DAXOMENPSA-N	1	0	357.458	1.336	20	30		FDEDRO
C[C@@H]1CN(Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001079710865	903123567	/nfs/dbraw/zinc/12/35/67/903123567.db2.gz	ZWVNQYMXCIVMNZ-LXGCGDOSSA-N	1	0	370.472	1.976	20	30		FDEDRO
C[C@@H]1CN(Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001079726119	903144118	/nfs/dbraw/zinc/14/41/18/903144118.db2.gz	CPIDZNXEHQVNPC-TWKYDXJASA-N	1	0	358.461	1.974	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cnn2ncccc12	ZINC001079861538	903555244	/nfs/dbraw/zinc/55/52/44/903555244.db2.gz	DARYGSFPWQPYGO-RDTXWAMCSA-N	1	0	360.421	1.851	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2c(C)nsc2C)C[C@H]1C	ZINC001079878233	903602062	/nfs/dbraw/zinc/60/20/62/903602062.db2.gz	NKFFEXQHBCUIOO-XWIAVFTESA-N	1	0	360.527	1.794	20	30		FDEDRO
C=CCC[C@H](C)[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)nn2)C1	ZINC001107185167	903687952	/nfs/dbraw/zinc/68/79/52/903687952.db2.gz	LDOXACWCZRFEOF-CCNMWVGKSA-N	1	0	371.485	1.529	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C(C)(C)C1	ZINC000996328877	903706357	/nfs/dbraw/zinc/70/63/57/903706357.db2.gz	DWRDCDOWNJKJGN-IKGGRYGDSA-N	1	0	359.470	1.303	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C(C)(C)C1	ZINC000996328879	903706623	/nfs/dbraw/zinc/70/66/23/903706623.db2.gz	DWRDCDOWNJKJGN-IXDOHACOSA-N	1	0	359.470	1.303	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCc2cnn(C)c2)C(C)(C)C1	ZINC000996401097	903851518	/nfs/dbraw/zinc/85/15/18/903851518.db2.gz	JDNDHSNWMRQGCH-KSZLIROESA-N	1	0	360.502	1.770	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]2C)cc1	ZINC001079977739	903876008	/nfs/dbraw/zinc/87/60/08/903876008.db2.gz	HPDSSEBXBZBYHA-OLMNPRSZSA-N	1	0	357.454	1.580	20	30		FDEDRO
CCN1CCOC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001084468974	914784768	/nfs/dbraw/zinc/78/47/68/914784768.db2.gz	KGZADFMTHIXVBY-AQNXPRMDSA-N	1	0	368.481	1.312	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CC3CC3)CCC[C@@H]12	ZINC001107253982	904145560	/nfs/dbraw/zinc/14/55/60/904145560.db2.gz	KWZZGJIJOHDVHW-DNVCBOLYSA-N	1	0	362.474	1.159	20	30		FDEDRO
CC(=O)NCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccc1C#N)CC2	ZINC001107255075	904153123	/nfs/dbraw/zinc/15/31/23/904153123.db2.gz	QAGPFKNSSJTPJL-UYAOXDASSA-N	1	0	354.454	1.555	20	30		FDEDRO
CC(C)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CSCC#N)CCC[C@@H]12	ZINC001107289486	904308385	/nfs/dbraw/zinc/30/83/85/904308385.db2.gz	AGCHNKNOQQXHDO-RHSMWYFYSA-N	1	0	352.504	1.129	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2	ZINC001107318393	904443455	/nfs/dbraw/zinc/44/34/55/904443455.db2.gz	NITTXXBQBUOCFG-ZHALLVOQSA-N	1	0	354.491	1.337	20	30		FDEDRO
C=CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCNS(=O)(=O)CC)CC2	ZINC001107327340	904485805	/nfs/dbraw/zinc/48/58/05/904485805.db2.gz	ZGNJCKZTJGFUOS-NVXWUHKLSA-N	1	0	357.520	1.253	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)CSC)CCC[C@@H]12	ZINC001107329448	904494501	/nfs/dbraw/zinc/49/45/01/904494501.db2.gz	VAVNSNKLJUUDPK-HDMKZQKVSA-N	1	0	351.516	1.096	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCCO[C@H]1CCOC1)CC2	ZINC001107329473	904494618	/nfs/dbraw/zinc/49/46/18/904494618.db2.gz	WAJFXTSADVMJOR-NLWGTHIKSA-N	1	0	366.502	1.745	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)CSC)CCC[C@@H]12	ZINC001107329449	904494880	/nfs/dbraw/zinc/49/48/80/904494880.db2.gz	VAVNSNKLJUUDPK-IIDMSEBBSA-N	1	0	351.516	1.096	20	30		FDEDRO
Cc1csc(=O)n1CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)C#N)CCC[C@@H]12	ZINC001107336106	904505924	/nfs/dbraw/zinc/50/59/24/904505924.db2.gz	HOJIAGKTVTUHQD-DDUZABMNSA-N	1	0	362.499	1.739	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)C#N)CCC[C@@H]12	ZINC001107336769	904507344	/nfs/dbraw/zinc/50/73/44/904507344.db2.gz	QUFBSEIJIUSYHT-MBOZVWFJSA-N	1	0	360.502	1.931	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)CCC[C@@H]12	ZINC001107351094	904555238	/nfs/dbraw/zinc/55/52/38/904555238.db2.gz	YSJGTVWIPKTBJZ-WDDRRTDCSA-N	1	0	358.486	1.423	20	30		FDEDRO
C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccnc1C)CC2	ZINC001107366807	904573516	/nfs/dbraw/zinc/57/35/16/904573516.db2.gz	UWKVQKFOHBBLOU-WIYYLYMNSA-N	1	0	368.481	1.390	20	30		FDEDRO
CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH]c(C#N)c3)CCC[C@@H]12	ZINC001107366844	904574257	/nfs/dbraw/zinc/57/42/57/904574257.db2.gz	VYYZCTAGPRQIQI-WIBUTAKZSA-N	1	0	371.485	1.775	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3nccn3CC)CCC[C@@H]12	ZINC001107377583	904617445	/nfs/dbraw/zinc/61/74/45/904617445.db2.gz	UHOINICEFTXAOS-DNVCBOLYSA-N	1	0	359.474	1.180	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(C)C1CC1)CC2	ZINC001107378860	904622491	/nfs/dbraw/zinc/62/24/91/904622491.db2.gz	PJMSOEJGXFCFPH-NSISKUIASA-N	1	0	363.502	1.295	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@H](C)SC)CCC[C@@H]12	ZINC001107370577	904634614	/nfs/dbraw/zinc/63/46/14/904634614.db2.gz	XIOKECQGADMQIP-HDMKZQKVSA-N	1	0	351.516	1.238	20	30		FDEDRO
C#CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H](C)CS(C)(=O)=O)CC2	ZINC001107384323	904660606	/nfs/dbraw/zinc/66/06/06/904660606.db2.gz	ZDYWPJRDFYTBHU-YQVWRLOYSA-N	1	0	368.543	1.831	20	30		FDEDRO
CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](OC)C1)C1CCCC1	ZINC001081507134	904717929	/nfs/dbraw/zinc/71/79/29/904717929.db2.gz	GZIXCVDURAOHAE-FGTMMUONSA-N	1	0	360.458	1.521	20	30		FDEDRO
COCCOC[C@@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)C#CC(C)C)CCC[C@@H]12	ZINC001107397109	904717986	/nfs/dbraw/zinc/71/79/86/904717986.db2.gz	SYHITPFEZNDVBU-NLWGTHIKSA-N	1	0	366.502	1.031	20	30		FDEDRO
C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cc(OC)no1)CC2	ZINC001107401958	904737971	/nfs/dbraw/zinc/73/79/71/904737971.db2.gz	HWSJFXUYDAQGTF-IDHHARJASA-N	1	0	361.442	1.582	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cn(C)nc1C)CC2	ZINC001107401936	904738135	/nfs/dbraw/zinc/73/81/35/904738135.db2.gz	GWDQCMXZJWBGLF-ILZDJORESA-N	1	0	358.486	1.628	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCOCC3CC3)CCC[C@@H]12	ZINC001107402501	904739455	/nfs/dbraw/zinc/73/94/55/904739455.db2.gz	NHIOXWDUXCYFJV-YLJYHZDGSA-N	1	0	363.502	1.466	20	30		FDEDRO
C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCOC)CC2	ZINC001107404562	904746390	/nfs/dbraw/zinc/74/63/90/904746390.db2.gz	AMWKREQKVGCCOR-IEBWSBKVSA-N	1	0	352.475	1.050	20	30		FDEDRO
C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccc(OC)n1)CC2	ZINC001107404582	904746979	/nfs/dbraw/zinc/74/69/79/904746979.db2.gz	CFBKXSWBARPELS-WIYYLYMNSA-N	1	0	371.481	1.991	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)N3CCCC3)CCC[C@@H]12	ZINC001107404732	904747483	/nfs/dbraw/zinc/74/74/83/904747483.db2.gz	KUOTWUQXENZRNW-CRAIPNDOSA-N	1	0	368.909	1.905	20	30		FDEDRO
C=CC(C)(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCN1CCNC1=O)CC2	ZINC001107420417	904827241	/nfs/dbraw/zinc/82/72/41/904827241.db2.gz	AZJKEIKQNHVWCK-OXQOHEQNSA-N	1	0	362.518	1.975	20	30		FDEDRO
C[NH+](C)[C@H](CC(=O)NCCNC(=O)C1N=CC=CC1=O)c1ccccc1	ZINC000764508034	904854229	/nfs/dbraw/zinc/85/42/29/904854229.db2.gz	NIQUFUOIMYUCQK-AMGRQBIBSA-N	1	0	356.426	1.322	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3[nH]ccc3C3CC3)CCC[C@@H]12	ZINC001107432266	904880502	/nfs/dbraw/zinc/88/05/02/904880502.db2.gz	GHSNWPZTTKQHHQ-OXQOHEQNSA-N	1	0	369.469	1.506	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3cc4n(n3)CCO4)CCC[C@@H]12	ZINC001107436770	904905225	/nfs/dbraw/zinc/90/52/25/904905225.db2.gz	OTKPGWRSOPGGLJ-VQIMIIECSA-N	1	0	360.458	1.453	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN(C(=O)CC)C2)[C@H](OC)C1	ZINC001081720439	904955310	/nfs/dbraw/zinc/95/53/10/904955310.db2.gz	NRHZPCONHSIAQN-GVDBMIGSSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(C(N)=O)c3)CCC[C@@H]12	ZINC001107453710	904997122	/nfs/dbraw/zinc/99/71/22/904997122.db2.gz	VPUDMXOFBYTOOC-WIYYLYMNSA-N	1	0	371.481	1.963	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)COc3c(C)occc3=O)CCC[C@@H]12	ZINC001107469605	905084231	/nfs/dbraw/zinc/08/42/31/905084231.db2.gz	BGOPPYAQXJLKGM-YLJYHZDGSA-N	1	0	358.438	1.711	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)c1c[nH]c(=O)n1C	ZINC001080263785	905086132	/nfs/dbraw/zinc/08/61/32/905086132.db2.gz	KWXCLQWJWSUNDK-CZUORRHYSA-N	1	0	369.425	1.278	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3cncc(C)c3)CCC[C@@H]12	ZINC001107488783	905213181	/nfs/dbraw/zinc/21/31/81/905213181.db2.gz	XGQBJPPLQMQBDX-WIYYLYMNSA-N	1	0	370.497	1.596	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3CC4(CCC4)C3)CCC[C@@H]12	ZINC001107509718	905263471	/nfs/dbraw/zinc/26/34/71/905263471.db2.gz	OKTHNFCNKCQZOE-OXQOHEQNSA-N	1	0	358.486	1.567	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@@]3(CNC(=O)CCCF)CCC[C@@H]23)C1=O	ZINC001107506821	905290629	/nfs/dbraw/zinc/29/06/29/905290629.db2.gz	OLEWSDBMCRFXPE-GPMSIDNRSA-N	1	0	351.466	1.884	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nc(=O)n(C)[nH]1)CC2	ZINC001107514846	905310953	/nfs/dbraw/zinc/31/09/53/905310953.db2.gz	YUUODYFSRFAICK-QMTMVMCOSA-N	1	0	361.490	1.572	20	30		FDEDRO
C=CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(=O)NC)CC2	ZINC001107524381	905369996	/nfs/dbraw/zinc/36/99/96/905369996.db2.gz	XCFGYQZEHUOWDF-RDTXWAMCSA-N	1	0	350.463	1.159	20	30		FDEDRO
C[C@@H]1CN(Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1	ZINC001080446311	905449330	/nfs/dbraw/zinc/44/93/30/905449330.db2.gz	HNJBUXCJURZQAQ-QMTMVMCOSA-N	1	0	358.461	1.976	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)[C@H](OC)C1	ZINC001081969331	905463322	/nfs/dbraw/zinc/46/33/22/905463322.db2.gz	KGAOFFSGRPWSAS-MTQWCTHYSA-N	1	0	355.482	1.695	20	30		FDEDRO
C=C1CC(C)(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2nc(=O)n(C)[nH]2)CC3)C1	ZINC001107543655	905471613	/nfs/dbraw/zinc/47/16/13/905471613.db2.gz	ROSPVJRPSITBNI-AUUYWEPGSA-N	1	0	359.474	1.326	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@H]2OC)cc1	ZINC001082012798	905556303	/nfs/dbraw/zinc/55/63/03/905556303.db2.gz	JQLMTCLIQCHXSS-NHCUHLMSSA-N	1	0	364.445	1.789	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C4CC4)n[nH]3)CCC[C@@H]12	ZINC001107557865	905588404	/nfs/dbraw/zinc/58/84/04/905588404.db2.gz	LQMXDJJZEYMMGO-YLJYHZDGSA-N	1	0	369.469	1.011	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C)ccc3F)CCC[C@@H]12	ZINC001107558829	905613417	/nfs/dbraw/zinc/61/34/17/905613417.db2.gz	LWGYCFMDYLAYAE-WIYYLYMNSA-N	1	0	371.456	1.858	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C(=O)N1CCC[C@H](C)C1	ZINC001080568035	905713513	/nfs/dbraw/zinc/71/35/13/905713513.db2.gz	LIQUQLPVNFQVEX-FRQCXROJSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(OC)cc3)C[C@H]2C)nn1	ZINC001080578880	905731688	/nfs/dbraw/zinc/73/16/88/905731688.db2.gz	FDECUHAWNIMFDR-RHSMWYFYSA-N	1	0	355.442	1.723	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)CCN3CCOCC3)CCC[C@@H]12	ZINC001107579630	905787032	/nfs/dbraw/zinc/78/70/32/905787032.db2.gz	LQQGCEVUWXQGRC-UYAOXDASSA-N	1	0	365.518	1.272	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CCCC[NH+](C)C	ZINC001077630696	905830300	/nfs/dbraw/zinc/83/03/00/905830300.db2.gz	XTLADLRLVONUTN-BBWFWOEESA-N	1	0	353.507	1.711	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cnn(CCCOC)c3)CCC[C@@H]12	ZINC001107601222	905914084	/nfs/dbraw/zinc/91/40/84/905914084.db2.gz	MVHNRZOVIGWEGR-UYAOXDASSA-N	1	0	358.486	1.917	20	30		FDEDRO
C[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2)c1ccccc1	ZINC001107610204	905969909	/nfs/dbraw/zinc/96/99/09/905969909.db2.gz	SACYLXHFBWFKBZ-YRISNDGFSA-N	1	0	368.481	1.791	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NC(C)C)CC3)nc1	ZINC001107613938	905990259	/nfs/dbraw/zinc/99/02/59/905990259.db2.gz	GXBORGJMZWWBNR-WIYYLYMNSA-N	1	0	368.481	1.562	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)N(C)CC)CC3)nc1	ZINC001107614141	905990581	/nfs/dbraw/zinc/99/05/81/905990581.db2.gz	SNZABPSAFBCBPR-WIYYLYMNSA-N	1	0	368.481	1.516	20	30		FDEDRO
C[C@@H](CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2)n1cccc1	ZINC001107614109	905990844	/nfs/dbraw/zinc/99/08/44/905990844.db2.gz	QOXSDTQEVBRJBF-SQGPQFPESA-N	1	0	371.485	1.440	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2cccc(C)c2)C[C@H]1OC	ZINC001082150778	905996621	/nfs/dbraw/zinc/99/66/21/905996621.db2.gz	MBFRYTGISSDTTC-YSTOQKLRSA-N	1	0	374.481	1.780	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)C3(C(=O)NC)CCC3)CCC[C@@H]12	ZINC001107616864	906011914	/nfs/dbraw/zinc/01/19/14/906011914.db2.gz	OFTJPTQHKCSSGL-VQIMIIECSA-N	1	0	363.502	1.466	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)COc3ccccc3)CCC[C@@H]12	ZINC001107617874	906015563	/nfs/dbraw/zinc/01/55/63/906015563.db2.gz	TUVWNJBPQLRJCF-YLJYHZDGSA-N	1	0	370.453	1.066	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3ccccc3F)CCC[C@@H]12	ZINC001107622262	906020836	/nfs/dbraw/zinc/02/08/36/906020836.db2.gz	DQZJQDIDALRHFK-WIYYLYMNSA-N	1	0	371.456	1.478	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3[nH]cnc3CC)CCC[C@@H]12	ZINC001107623063	906027559	/nfs/dbraw/zinc/02/75/59/906027559.db2.gz	PTHKUUGZGCSPOS-DNVCBOLYSA-N	1	0	359.474	1.249	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCCOC)C1	ZINC001111651802	906103838	/nfs/dbraw/zinc/10/38/38/906103838.db2.gz	JTNPNSTXCWXPDN-BXWFABGCSA-N	1	0	351.491	1.465	20	30		FDEDRO
Cc1ccccc1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107628728	906106410	/nfs/dbraw/zinc/10/64/10/906106410.db2.gz	DXHPAENOOYRFMR-WIYYLYMNSA-N	1	0	368.481	1.538	20	30		FDEDRO
CCn1cc(CC(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)cn1	ZINC001080757979	906157226	/nfs/dbraw/zinc/15/72/26/906157226.db2.gz	DBWYIEICSQNNRM-DNVCBOLYSA-N	1	0	351.454	1.954	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC#CC)CC2	ZINC001107645068	906170402	/nfs/dbraw/zinc/17/04/02/906170402.db2.gz	NNTOPSYFVBHCRM-OXQOHEQNSA-N	1	0	360.502	1.634	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1CCCCN(C)C1=O	ZINC001080770029	906202372	/nfs/dbraw/zinc/20/23/72/906202372.db2.gz	SKTQZNHXJDAJKX-ATZDWAIDSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)c3ccccn3)CCC[C@@H]12	ZINC001107640928	906203722	/nfs/dbraw/zinc/20/37/22/906203722.db2.gz	QVEXHGWZPDMIPL-YLJYHZDGSA-N	1	0	356.470	1.748	20	30		FDEDRO
C[C@@H]1CN(Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001080781318	906252810	/nfs/dbraw/zinc/25/28/10/906252810.db2.gz	WIMCWTVTLLSHEN-IDHHARJASA-N	1	0	358.461	1.976	20	30		FDEDRO
COCc1cc(C(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@H]2OC)no1	ZINC001082210840	906288347	/nfs/dbraw/zinc/28/83/47/906288347.db2.gz	TWCZBOSKGKKWIF-QZTJIDSGSA-N	1	0	370.409	1.322	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3ccccc3C)C[C@H]2OC)nn1	ZINC001082212959	906295959	/nfs/dbraw/zinc/29/59/59/906295959.db2.gz	HYKYPVDNEPAKAW-KVSKMBFKSA-N	1	0	369.469	1.963	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)N3CCOCC3)CCC[C@@H]12	ZINC001107656356	906296829	/nfs/dbraw/zinc/29/68/29/906296829.db2.gz	MZXASVCNONYGBO-LZLYRXPVSA-N	1	0	355.910	1.820	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C)n(C)c3C)C2)C1=O	ZINC001080915671	906657107	/nfs/dbraw/zinc/65/71/07/906657107.db2.gz	IMJNMELLCOUUIE-FSPWUOQZSA-N	1	0	358.486	1.479	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1	ZINC000765314766	906770383	/nfs/dbraw/zinc/77/03/83/906770383.db2.gz	PWQCYWOHSJAVLW-LSTHTHJFSA-N	1	0	367.497	1.889	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN([C@H](C)c3noc(C)n3)C[C@H]2C)CC1	ZINC001080997861	906974201	/nfs/dbraw/zinc/97/42/01/906974201.db2.gz	MVKATTYCEDZLPJ-CKEIUWERSA-N	1	0	359.474	1.221	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN([C@H](C)c3cnc(C)cn3)C[C@H]2C)CC1	ZINC001080998158	906975333	/nfs/dbraw/zinc/97/53/33/906975333.db2.gz	VHBKWZQXCCKTEE-WRWLIDTKSA-N	1	0	369.513	1.628	20	30		FDEDRO
CCOc1cnc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)cn1	ZINC001081053553	907116140	/nfs/dbraw/zinc/11/61/40/907116140.db2.gz	FORRLEQPZSSFHB-RDTXWAMCSA-N	1	0	365.437	1.997	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cnn(-c3ccccc3)n2)[C@H](OC)C1	ZINC001082363548	907140370	/nfs/dbraw/zinc/14/03/70/907140370.db2.gz	KGIYBJSRHHNEOF-QZTJIDSGSA-N	1	0	355.442	1.663	20	30		FDEDRO
CO[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1NC(=O)Cc1c(C)n[nH]c1C	ZINC001082366496	907170533	/nfs/dbraw/zinc/17/05/33/907170533.db2.gz	GYBWXQGMEYGGMK-WOJBJXKFSA-N	1	0	366.465	1.436	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([NH2+][C@H](C)c2nncn2C)CC1	ZINC000997084885	907203677	/nfs/dbraw/zinc/20/36/77/907203677.db2.gz	MHRGWIOPIRWBOO-PVAVHDDUSA-N	1	0	361.490	1.828	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC(=O)NC2CC2)CC1	ZINC000997099054	907302403	/nfs/dbraw/zinc/30/24/03/907302403.db2.gz	ZHPRZAFZPWYBEX-OLMNPRSZSA-N	1	0	363.502	1.463	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCN(C(=O)CC)C2)C[C@H]1c1ccccc1	ZINC001081208882	907314268	/nfs/dbraw/zinc/31/42/68/907314268.db2.gz	QXAFJPFZQPNXHW-CEXWTWQISA-N	1	0	353.466	1.462	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN(C)C2=O)C[C@H]1c1ccccc1	ZINC001081213625	907320059	/nfs/dbraw/zinc/32/00/59/907320059.db2.gz	HTGDPQXGCKXVOZ-CEXWTWQISA-N	1	0	353.466	1.462	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nc3nccc(C)n3n2)C[C@H]1c1ccccc1	ZINC001081220140	907331620	/nfs/dbraw/zinc/33/16/20/907331620.db2.gz	XBZNAXBLEYBFCJ-DLBZAZTESA-N	1	0	360.421	1.264	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+][C@@H](C)C(N)=O)C2)c1	ZINC001081177047	907348122	/nfs/dbraw/zinc/34/81/22/907348122.db2.gz	XOUHPTSGPPJUII-ZOCIIQOWSA-N	1	0	362.433	1.135	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3cncc(C)c3)C[C@H]2OC)CC1	ZINC001082384362	907387053	/nfs/dbraw/zinc/38/70/53/907387053.db2.gz	RHMLBSKPANTUCG-WOJBJXKFSA-N	1	0	370.497	1.051	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)cn2)C[C@H]1c1ccccc1	ZINC001081232954	907433538	/nfs/dbraw/zinc/43/35/38/907433538.db2.gz	JENJMWJWPFFWGI-FUHWJXTLSA-N	1	0	350.422	1.564	20	30		FDEDRO
CCN(CC)S(=O)(=O)c1ccc(N=NC2CC[N@@H+]3CCC[C@H]23)nc1	ZINC000765563025	907575579	/nfs/dbraw/zinc/57/55/79/907575579.db2.gz	NATKZXWEUWUTGO-OAHLLOKOSA-N	1	0	351.476	1.748	20	30		FDEDRO
N#Cc1ccc(Br)c(C[NH2+]CC2(C(N)=O)CCOCC2)c1	ZINC000921528367	907608091	/nfs/dbraw/zinc/60/80/91/907608091.db2.gz	UERWFRWJDMCHHO-UHFFFAOYSA-N	1	0	352.232	1.692	20	30		FDEDRO
Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)[nH]n1	ZINC001082437133	907756969	/nfs/dbraw/zinc/75/69/69/907756969.db2.gz	RGRJXRFBQOIEOY-FZKQIMNGSA-N	1	0	353.426	1.871	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1C	ZINC001082442628	907785522	/nfs/dbraw/zinc/78/55/22/907785522.db2.gz	NCCPIUACOYLQMG-RDTXWAMCSA-N	1	0	367.453	1.480	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1[NH2+]Cc1ccc2c(c1)OCCO2	ZINC001082464844	907899946	/nfs/dbraw/zinc/89/99/46/907899946.db2.gz	LMRCUCMAEUDDDN-CXAGYDPISA-N	1	0	366.421	1.908	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]C[C@@H](O)c1ccc(F)cc1	ZINC001082480359	907949144	/nfs/dbraw/zinc/94/91/44/907949144.db2.gz	CYMSISGXGLRCCU-NXOUGTEYSA-N	1	0	356.401	1.809	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]C[C@@H](O)c1ccccc1F	ZINC001082480411	907950162	/nfs/dbraw/zinc/95/01/62/907950162.db2.gz	LMZGKXQAWBWQJN-NXOUGTEYSA-N	1	0	356.401	1.809	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1)n1cncn1	ZINC001082481745	907956786	/nfs/dbraw/zinc/95/67/86/907956786.db2.gz	NMANYXLAFWOWFC-PBFPGSCMSA-N	1	0	356.405	1.487	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ncccc3O)C[C@H]2C)cc1C#N	ZINC001082485397	907974205	/nfs/dbraw/zinc/97/42/05/907974205.db2.gz	WDNDUCOXEFZXSO-CZUORRHYSA-N	1	0	366.421	1.918	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2cnnc(C)c2)C[C@H]1C	ZINC001082489598	907994353	/nfs/dbraw/zinc/99/43/53/907994353.db2.gz	QPXUYWPKACKTAB-FZKQIMNGSA-N	1	0	365.437	1.916	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)CCc2ncc[nH]2)C[C@H]1C	ZINC001082492256	908011905	/nfs/dbraw/zinc/01/19/05/908011905.db2.gz	NFDRIVYFSAWOKS-RHSMWYFYSA-N	1	0	367.453	1.859	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cn([C@@H]3CCOC3)nc2C)C[C@H]1C	ZINC001082511776	908048360	/nfs/dbraw/zinc/04/83/60/908048360.db2.gz	PSAUSVXDABISNP-DJSGYFEHSA-N	1	0	352.866	1.956	20	30		FDEDRO
CCn1nncc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC001082502128	908096984	/nfs/dbraw/zinc/09/69/84/908096984.db2.gz	FROWIRIAWKOTNG-MLGOLLRUSA-N	1	0	356.405	1.559	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ocnc2C)CC1	ZINC000997358304	908313981	/nfs/dbraw/zinc/31/39/81/908313981.db2.gz	YCZORWGIQVMKKP-IKGGRYGDSA-N	1	0	370.453	1.190	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2=COCCC2)CC1	ZINC000997357250	908324696	/nfs/dbraw/zinc/32/46/96/908324696.db2.gz	JFWIZQAOYGMZBH-QYZOEREBSA-N	1	0	371.481	1.274	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC23CC3)CC1	ZINC000997357689	908325700	/nfs/dbraw/zinc/32/57/00/908325700.db2.gz	NKODOGWTRTYRHV-OWSLCNJRSA-N	1	0	355.482	1.380	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccccn2)CC1	ZINC000997357549	908326614	/nfs/dbraw/zinc/32/66/14/908326614.db2.gz	MHFMFRBEPVYCQV-NEWSRXKRSA-N	1	0	366.465	1.289	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CC(F)(F)F)CC1	ZINC000997357979	908327766	/nfs/dbraw/zinc/32/77/66/908327766.db2.gz	SISQNFNFJGRNEH-ILXRZTDVSA-N	1	0	371.403	1.532	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@]2(C)CN(Cc3cccc(C#N)c3)CCO2)CC[N@@H+]1C	ZINC001107954201	908481091	/nfs/dbraw/zinc/48/10/91/908481091.db2.gz	KADZTPKSLTVGFU-OZOXKJRCSA-N	1	0	370.497	1.606	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccnc3ccnn32)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082554385	908543895	/nfs/dbraw/zinc/54/38/95/908543895.db2.gz	DRQLKFIKFGZVNU-IUODEOHRSA-N	1	0	366.450	1.913	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)Cn2cc(C3CC3)nn2)C[C@H]1C	ZINC001082557526	908589455	/nfs/dbraw/zinc/58/94/55/908589455.db2.gz	KWAFNIBVJOFSOJ-ZWNOBZJWSA-N	1	0	368.279	1.501	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnc3n2CCOC3)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082572780	908698118	/nfs/dbraw/zinc/69/81/18/908698118.db2.gz	XYPOCBBIKSUGHM-RHSMWYFYSA-N	1	0	365.437	1.535	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccccc2F)C[C@H]1O	ZINC001077807241	908753711	/nfs/dbraw/zinc/75/37/11/908753711.db2.gz	ICNWVQPOKZJKQR-AITUJVMLSA-N	1	0	362.445	1.858	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(CN(C)C)on2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082608864	908988196	/nfs/dbraw/zinc/98/81/96/908988196.db2.gz	CTJYZGBCBLJUKN-AUUYWEPGSA-N	1	0	367.453	1.858	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCC[N@H+]1C	ZINC000997542979	909094304	/nfs/dbraw/zinc/09/43/04/909094304.db2.gz	IEKCNWCBVGVYFW-MUQADHOPSA-N	1	0	356.470	1.630	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc3ncnn32)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082622404	909136622	/nfs/dbraw/zinc/13/66/22/909136622.db2.gz	ROBUXOCCEQIJDX-RHSMWYFYSA-N	1	0	360.421	1.851	20	30		FDEDRO
CC(=O)N1CCC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1	ZINC001082628190	909158359	/nfs/dbraw/zinc/15/83/59/909158359.db2.gz	PLIRGYIWTSOTDI-UIAACRFSSA-N	1	0	368.481	1.753	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082628380	909159862	/nfs/dbraw/zinc/15/98/62/909159862.db2.gz	WHEBGEGJQUSDBF-ZTFGCOKTSA-N	1	0	369.469	1.285	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CCCC(=O)N2)C[C@H]1C	ZINC001082632275	909186075	/nfs/dbraw/zinc/18/60/75/909186075.db2.gz	QHMMHBFHDANYJW-RAIGVLPGSA-N	1	0	358.280	1.390	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCN2C(=O)CCC2=O)[C@H](OC)C1	ZINC001212368310	909252811	/nfs/dbraw/zinc/25/28/11/909252811.db2.gz	LKIBCCBCEDEJEF-BZUAXINKSA-N	1	0	365.474	1.086	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc3nnnn3c2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082640912	909267816	/nfs/dbraw/zinc/26/78/16/909267816.db2.gz	DKHJGBPTRFSJBS-IAQYHMDHSA-N	1	0	367.438	1.308	20	30		FDEDRO
Cc1cc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)s3)C2)n(C)n1	ZINC001082641506	909273711	/nfs/dbraw/zinc/27/37/11/909273711.db2.gz	SWSTWRACUINMEL-SJKOYZFVSA-N	1	0	357.483	1.841	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3ccccc3C)C[C@H]2O)nn1	ZINC001077812984	909299830	/nfs/dbraw/zinc/29/98/30/909299830.db2.gz	WUZXMAJRQFQXOJ-KVSKMBFKSA-N	1	0	369.469	1.699	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)CCCC2CCOCC2)[C@H](OC)C1	ZINC001212375318	909362864	/nfs/dbraw/zinc/36/28/64/909362864.db2.gz	AMVKKQDHOXXEQJ-QZTJIDSGSA-N	1	0	354.491	1.601	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCc2nnc(C[NH2+]CCC)n2CC1	ZINC001127990685	909385773	/nfs/dbraw/zinc/38/57/73/909385773.db2.gz	HYEXASJHNMUOFB-XHSDSOJGSA-N	1	0	361.490	1.580	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3nccc4occc43)C[C@H]2C)C1=O	ZINC001082656601	909414494	/nfs/dbraw/zinc/41/44/94/909414494.db2.gz	GVXKIUFNAYWWRX-FVQBIDKESA-N	1	0	368.437	1.665	20	30		FDEDRO
CCn1cc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)nn1	ZINC001082657861	909422847	/nfs/dbraw/zinc/42/28/47/909422847.db2.gz	YXMVRZFZUFJKQN-RDTXWAMCSA-N	1	0	352.442	1.349	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCNC(=O)CC2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082665663	909453326	/nfs/dbraw/zinc/45/33/26/909453326.db2.gz	WYKIGMSSLXELDU-IIDMSEBBSA-N	1	0	354.454	1.411	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCC(F)(F)CC2)C[C@@H]1O	ZINC001083790225	909520258	/nfs/dbraw/zinc/52/02/58/909520258.db2.gz	WINCETLSOHRCCT-WCVJEAGWSA-N	1	0	358.429	1.564	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCC(F)(F)C3)C[C@H]2O)nn1	ZINC001077813951	909534675	/nfs/dbraw/zinc/53/46/75/909534675.db2.gz	LBUZECLCLCVKJU-UMVBOHGHSA-N	1	0	369.416	1.065	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn3cccnc23)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082678412	909561864	/nfs/dbraw/zinc/56/18/64/909561864.db2.gz	UIXDRFJLPCMSIK-RDTXWAMCSA-N	1	0	360.421	1.851	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H](CC)c3ccccc3)C[C@H]2O)nn1	ZINC001077814018	909562870	/nfs/dbraw/zinc/56/28/70/909562870.db2.gz	OLIQUNBBFVIJAR-BHIYHBOVSA-N	1	0	369.469	1.780	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1	ZINC001082681987	909600839	/nfs/dbraw/zinc/60/08/39/909600839.db2.gz	JMSQOWWAKGKIPM-OWCLPIDISA-N	1	0	356.532	1.850	20	30		FDEDRO
Cc1ncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)n1C	ZINC001082705655	909719098	/nfs/dbraw/zinc/71/90/98/909719098.db2.gz	RLLLFVYKRFLNPM-SJKOYZFVSA-N	1	0	355.417	1.990	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccoc3C3CC3)C[C@H]2C)C1=O	ZINC001082707404	909734957	/nfs/dbraw/zinc/73/49/57/909734957.db2.gz	IAYBHGJOYJKTDT-XOKHGSTOSA-N	1	0	357.454	1.994	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCS(=O)(=O)CC2)C1	ZINC001082721984	909829906	/nfs/dbraw/zinc/82/99/06/909829906.db2.gz	RWKQSHDLFNRRBA-QGPMSJSTSA-N	1	0	356.532	1.850	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC[C@@H]3CCS(=O)(=O)C3)C2)C1	ZINC001082727599	909853894	/nfs/dbraw/zinc/85/38/94/909853894.db2.gz	GTUONHBJXLTQBX-BZUAXINKSA-N	1	0	354.516	1.604	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082744522	909964759	/nfs/dbraw/zinc/96/47/59/909964759.db2.gz	QJMRUASPHOXPEY-RDTXWAMCSA-N	1	0	352.442	1.256	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082746294	909977759	/nfs/dbraw/zinc/97/77/59/909977759.db2.gz	WNAYNEKNOMEOLO-SJKOYZFVSA-N	1	0	351.410	1.236	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](OC)C1	ZINC000946430164	909997672	/nfs/dbraw/zinc/99/76/72/909997672.db2.gz	SVZZKMRCCNVHDO-HZPDHXFCSA-N	1	0	351.491	1.273	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)N2CCC(C)CC2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082787596	910166758	/nfs/dbraw/zinc/16/67/58/910166758.db2.gz	YHJKOUHKEZBIBJ-VQIMIIECSA-N	1	0	368.481	1.753	20	30		FDEDRO
COCc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)no1	ZINC001082789005	910177184	/nfs/dbraw/zinc/17/71/84/910177184.db2.gz	FQQPGPFSLJXARD-FZKQIMNGSA-N	1	0	354.410	1.943	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnns3)C2)cc1	ZINC001082791318	910193786	/nfs/dbraw/zinc/19/37/86/910193786.db2.gz	LDOVDONCYIDJMK-CXAGYDPISA-N	1	0	356.451	1.800	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2snnc2C)CC1	ZINC000998094708	910332056	/nfs/dbraw/zinc/33/20/56/910332056.db2.gz	MPIYWVXRJIPCQN-CABCVRRESA-N	1	0	350.488	1.766	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc(CCC)on3)C[C@H]2C)C1=O	ZINC001082834107	910394900	/nfs/dbraw/zinc/39/49/00/910394900.db2.gz	XAYZLQXIXXNCAZ-UKPHBRMFSA-N	1	0	360.458	1.464	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3oc(CC)nc3C)C[C@H]2C)C1=O	ZINC001082841762	910404642	/nfs/dbraw/zinc/40/46/42/910404642.db2.gz	GQJCLKLQEVJNDU-VHDGCEQUSA-N	1	0	360.458	1.382	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCCN2C(N)=O)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082853056	910470552	/nfs/dbraw/zinc/47/05/52/910470552.db2.gz	CMNKQWIVXMEVKC-ZTFGCOKTSA-N	1	0	369.469	1.428	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cncs2)C1	ZINC001082869101	910511871	/nfs/dbraw/zinc/51/18/71/910511871.db2.gz	PMTKMALUVUCRDF-CZUORRHYSA-N	1	0	356.451	1.800	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(CCCC)n2)C[C@H]1C	ZINC001082913188	910864927	/nfs/dbraw/zinc/86/49/27/910864927.db2.gz	XMMGJNONHUMYMV-IUODEOHRSA-N	1	0	352.866	1.846	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(NC(=O)C[NH+]2CCC(C)CC2)C1	ZINC000998361220	910921687	/nfs/dbraw/zinc/92/16/87/910921687.db2.gz	ZYMGKTKLBKLLPU-HKUYNNGSSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1)c1ccccc1	ZINC001082937037	911019912	/nfs/dbraw/zinc/01/99/12/911019912.db2.gz	HZAWOWYONQDTTH-FVQBIDKESA-N	1	0	355.442	1.015	20	30		FDEDRO
C=C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCOCC2)C1)c1ccccc1	ZINC001082937330	911021255	/nfs/dbraw/zinc/02/12/55/911021255.db2.gz	SDYUFMLJBKDYHS-BHIYHBOVSA-N	1	0	371.481	1.252	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc3c(c2)COC3)C[C@H]1O	ZINC001077821906	911149714	/nfs/dbraw/zinc/14/97/14/911149714.db2.gz	MXGBJFGUXQSQOQ-NMLBUPMWSA-N	1	0	372.465	1.359	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cn(C)nn2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082961913	911184246	/nfs/dbraw/zinc/18/42/46/911184246.db2.gz	BQWXSBVTZCKEON-RDTXWAMCSA-N	1	0	352.442	1.256	20	30		FDEDRO
COc1ccccc1CCC[N@@H+]1C[C@H]2OCCN(C(=O)C#CC3CC3)[C@H]2C1	ZINC001083076843	911763407	/nfs/dbraw/zinc/76/34/07/911763407.db2.gz	HGMXPFIEIAQAKJ-PZJWPPBQSA-N	1	0	368.477	1.953	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCO[C@@H]3C[N@H+](CCc4ccccc4)C[C@@H]32)[nH]1	ZINC001083049365	911799454	/nfs/dbraw/zinc/79/94/54/911799454.db2.gz	OGXYZBLMICHIKS-RBUKOAKNSA-N	1	0	350.422	1.654	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3[nH]nc4c3cccc4OC)[C@H]2C1	ZINC001083095603	911989776	/nfs/dbraw/zinc/98/97/76/911989776.db2.gz	OTZIBZDIEQNJQA-GOEBONIOSA-N	1	0	354.410	1.120	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CNC(=O)c4ccccc43)[C@H]2C1	ZINC001083108047	912061876	/nfs/dbraw/zinc/06/18/76/912061876.db2.gz	RWFGEXZJBMAGFC-OKZBNKHCSA-N	1	0	355.438	1.001	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3c(CC)nn(C)c3CC)[C@H]2C1	ZINC001083108231	912064491	/nfs/dbraw/zinc/06/44/91/912064491.db2.gz	GHVREIPOWHJGLF-RBUKOAKNSA-N	1	0	360.502	1.575	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)Cc3c(C)nn(C)c3Cl)[C@H]2C1	ZINC001083131151	912128863	/nfs/dbraw/zinc/12/88/63/912128863.db2.gz	CDQYMKBAGLYHNA-LSDHHAIUSA-N	1	0	352.866	1.412	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3c4n(c(=O)n3C)CCCC4)[C@@H]2C1	ZINC001084663943	915957621	/nfs/dbraw/zinc/95/76/21/915957621.db2.gz	XXAUHOLOJAJYMV-NVXWUHKLSA-N	1	0	358.486	1.636	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4conc4C)C[C@H]32)CC1	ZINC001084850893	917657263	/nfs/dbraw/zinc/65/72/63/917657263.db2.gz	BKHYCBLLYVOTHV-IEBWSBKVSA-N	1	0	356.470	1.361	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)CN4CCCC4=O)C[C@@H]32)cc1	ZINC001084888139	918004290	/nfs/dbraw/zinc/00/42/90/918004290.db2.gz	YQWKUKRORWQSLZ-MOPGFXCFSA-N	1	0	366.465	1.603	20	30		FDEDRO
C=CCC(C)(C)C(=O)NC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCO1	ZINC001065212327	918010447	/nfs/dbraw/zinc/01/04/47/918010447.db2.gz	JYRZHGAJEMVAAB-YESZJQIVSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cccn4C)C[C@@H]32)C1=O	ZINC001084890607	918031519	/nfs/dbraw/zinc/03/15/19/918031519.db2.gz	BLVDAZMYIXSTNY-SZMVWBNQSA-N	1	0	356.470	1.348	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)CCn4cncn4)C[C@@H]32)s1	ZINC001084891131	918035259	/nfs/dbraw/zinc/03/52/59/918035259.db2.gz	GOFUYBXINSODTB-PBHICJAKSA-N	1	0	370.482	1.724	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cncnc4C)C[C@@H]32)C1=O	ZINC001084897837	918089264	/nfs/dbraw/zinc/08/92/64/918089264.db2.gz	OLIDVSHGHUBGIY-SZMVWBNQSA-N	1	0	369.469	1.108	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cc(C)n[nH]4)C[C@@H]32)C1=O	ZINC001084898070	918094576	/nfs/dbraw/zinc/09/45/76/918094576.db2.gz	HUABHEUVCLNWEJ-UAGQMJEPSA-N	1	0	357.458	1.041	20	30		FDEDRO
Cn1cc(CC(=O)N2CC[C@H]3CC[N@H+](Cc4ccccc4C#N)[C@H]3C2)cn1	ZINC001084904087	918177278	/nfs/dbraw/zinc/17/72/78/918177278.db2.gz	DTKVSLKOIXJGHU-XLIONFOSSA-N	1	0	363.465	1.957	20	30		FDEDRO
Cc1nn(C)cc1C[N@@H+]1CC[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]21	ZINC001084924061	918339425	/nfs/dbraw/zinc/33/94/25/918339425.db2.gz	DRZZMSJOKAXASA-KDOFPFPSSA-N	1	0	352.442	1.665	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](C[C@@H]4CCNC(=O)CC4)[C@H]3C2)[nH]1	ZINC001084921613	918363293	/nfs/dbraw/zinc/36/32/93/918363293.db2.gz	KFWAIVAIWHOASC-DAYGRLMNSA-N	1	0	369.469	1.339	20	30		FDEDRO
Cn1ncc(C(=O)N2CC[C@H]3CC[N@H+](Cc4cccc(C#N)c4)[C@H]3C2)c1N	ZINC001084926060	918390883	/nfs/dbraw/zinc/39/08/83/918390883.db2.gz	BKOXZORKRLUMJR-AEFFLSMTSA-N	1	0	364.453	1.611	20	30		FDEDRO
O=C([C@H]1COC(=O)N1)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001084932349	918485319	/nfs/dbraw/zinc/48/53/19/918485319.db2.gz	SUHNUGJQOYQLPV-KURKYZTESA-N	1	0	353.422	1.069	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ccc(C)nn4)C[C@@H]32)C1=O	ZINC001084938146	918583200	/nfs/dbraw/zinc/58/32/00/918583200.db2.gz	JEWBZYQGGTUMDY-JQHSSLGASA-N	1	0	369.469	1.108	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc(C#N)nc3)cc2)CC1	ZINC000731780868	918632250	/nfs/dbraw/zinc/63/22/50/918632250.db2.gz	HPHNKKGAQHMKTL-UHFFFAOYSA-N	1	0	371.466	1.896	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)C[C@@H]21	ZINC001084947448	918648141	/nfs/dbraw/zinc/64/81/41/918648141.db2.gz	VYMBYGRGVMYEIS-QRQLOZEOSA-N	1	0	357.498	1.581	20	30		FDEDRO
O=C(Cn1nccn1)N1CC[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)[C@H]2C1	ZINC001084949748	918685659	/nfs/dbraw/zinc/68/56/59/918685659.db2.gz	SXGOECZLCQGZRU-MJGOQNOKSA-N	1	0	367.428	1.392	20	30		FDEDRO
Cc1c(C=NNC(=S)NCCC[NH+](C)C)c(=O)n(-c2ccccc2)n1C	ZINC000731930973	918857109	/nfs/dbraw/zinc/85/71/09/918857109.db2.gz	VAAWEBGOMBVKPV-UHFFFAOYSA-N	1	0	374.514	1.234	20	30		FDEDRO
CC(C)(C(N)=O)C(=O)N1CC[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)[C@H]2C1	ZINC001084963656	918894493	/nfs/dbraw/zinc/89/44/93/918894493.db2.gz	KFEREYQEYVKFGD-AEFFLSMTSA-N	1	0	371.456	1.612	20	30		FDEDRO
CC(C)(C(N)=O)C(=O)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001084963759	918896724	/nfs/dbraw/zinc/89/67/24/918896724.db2.gz	UHOIAQVDGPIZSD-MSOLQXFVSA-N	1	0	353.466	1.472	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4c(C)ncn4C)C[C@@H]32)C1=O	ZINC001084964424	918902574	/nfs/dbraw/zinc/90/25/74/918902574.db2.gz	XMPNFPYCTIEZSU-BBWFWOEESA-N	1	0	371.485	1.052	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C	ZINC000820510977	918941291	/nfs/dbraw/zinc/94/12/91/918941291.db2.gz	PCDDMCMHPMXKFW-ULQDDVLXSA-N	1	0	351.491	1.862	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C[C@@H]21	ZINC001084971994	918978471	/nfs/dbraw/zinc/97/84/71/918978471.db2.gz	KOTVHQBCVSYDAG-BARDWOONSA-N	1	0	360.376	1.279	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3c(C)nc4ccnn4c3C)C[C@@H]21	ZINC001084976263	919009991	/nfs/dbraw/zinc/00/99/91/919009991.db2.gz	ZNLISEVMILRCGK-SJORKVTESA-N	1	0	351.454	1.906	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)C4(F)CCCC4)C[C@@H]32)C1=O	ZINC001084976760	919085097	/nfs/dbraw/zinc/08/50/97/919085097.db2.gz	JUBWTFLFCXZSPL-ULQDDVLXSA-N	1	0	363.477	1.978	20	30		FDEDRO
Cc1cc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c(C)n1-c1ccc(C#N)cc1	ZINC000732150059	919151149	/nfs/dbraw/zinc/15/11/49/919151149.db2.gz	VSKHUAYMPAQHKJ-IBGZPJMESA-N	1	0	365.481	1.941	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cnc4c(c3)nnn4C)C[C@@H]21	ZINC001084992404	919358399	/nfs/dbraw/zinc/35/83/99/919358399.db2.gz	YFASBMOSUIXWOT-PBHICJAKSA-N	1	0	354.458	1.866	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4c(C)cnn4C)C[C@@H]32)C1=O	ZINC001085012051	919589218	/nfs/dbraw/zinc/58/92/18/919589218.db2.gz	SHNMSQROWDGWGJ-ULQDDVLXSA-N	1	0	371.485	1.052	20	30		FDEDRO
C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC000732463404	919641806	/nfs/dbraw/zinc/64/18/06/919641806.db2.gz	ITYLNEVNXRNXMF-BKJYESAMSA-N	1	0	363.462	1.075	20	30		FDEDRO
NC(=O)C1(C(=O)N2CC[C@H]3CC[N@H+](CC#Cc4ccc(F)cc4)[C@H]3C2)CC1	ZINC001085021562	919761392	/nfs/dbraw/zinc/76/13/92/919761392.db2.gz	IMZQVYBISLPSIG-AEFFLSMTSA-N	1	0	369.440	1.366	20	30		FDEDRO
CN(C(=O)COc1cccc(C#N)c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000732559801	919794602	/nfs/dbraw/zinc/79/46/02/919794602.db2.gz	RLWDOTAMJADTIB-GOSISDBHSA-N	1	0	356.470	1.564	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(N4CCCC4)ncn3)C[C@@H]21	ZINC001085032476	919927226	/nfs/dbraw/zinc/92/72/26/919927226.db2.gz	JHKCIFBDXISAAA-AEFFLSMTSA-N	1	0	353.470	1.637	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)CCc4cn[nH]n4)C[C@@H]32)c1	ZINC001085037183	919959074	/nfs/dbraw/zinc/95/90/74/919959074.db2.gz	NBIYJBXXJBZSIZ-MJGOQNOKSA-N	1	0	364.453	1.732	20	30		FDEDRO
C[NH+]1CCN(c2ccccc2NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1	ZINC000732675142	919960552	/nfs/dbraw/zinc/96/05/52/919960552.db2.gz	QBQHWBJGOQFYFP-QGZVFWFLSA-N	1	0	368.485	1.642	20	30		FDEDRO
C[NH+](C)CCCNC(=S)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000732826589	920189649	/nfs/dbraw/zinc/18/96/49/920189649.db2.gz	SFHFUMBIQYOLLV-QGZVFWFLSA-N	1	0	363.506	1.834	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cnn4cc(OC)ccc34)C[C@@H]21	ZINC001085057437	920216330	/nfs/dbraw/zinc/21/63/30/920216330.db2.gz	CGTKAZDFJWVSCU-BEFAXECRSA-N	1	0	352.438	1.903	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4c[nH]cc4C)C[C@@H]32)C1=O	ZINC001085092352	920797836	/nfs/dbraw/zinc/79/78/36/920797836.db2.gz	PJNRLRDTYVONOQ-SZMVWBNQSA-N	1	0	356.470	1.646	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(Cc4ncccn4)[C@H]3C2)CC1	ZINC001085100707	920916227	/nfs/dbraw/zinc/91/62/27/920916227.db2.gz	YRXJRLGXBJSPTD-MJGOQNOKSA-N	1	0	367.497	1.245	20	30		FDEDRO
CN1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)C1	ZINC001085158990	921878552	/nfs/dbraw/zinc/87/85/52/921878552.db2.gz	DJHBSRLHOPGQRA-QRVBRYPASA-N	1	0	356.470	1.406	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cccc(=O)[nH]2)C1=O	ZINC001085161268	921900098	/nfs/dbraw/zinc/90/00/98/921900098.db2.gz	PJDAOCKZNPDZDO-FMKPAKJESA-N	1	0	358.442	1.205	20	30		FDEDRO
CCn1nnc(C)c1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC001085163869	921911329	/nfs/dbraw/zinc/91/13/29/921911329.db2.gz	DOXFQFKRPHSNAT-HUUCEWRRSA-N	1	0	355.446	1.637	20	30		FDEDRO
C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C12CCC2	ZINC000823657802	921969835	/nfs/dbraw/zinc/96/98/35/921969835.db2.gz	USPBOUYWMMNVSZ-IAGOWNOFSA-N	1	0	364.453	1.929	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCNC(=O)CC2)[nH]1	ZINC001085174346	921970875	/nfs/dbraw/zinc/97/08/75/921970875.db2.gz	RBUWLNYDAKSJHZ-NUEKZKHPSA-N	1	0	357.458	1.433	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1	ZINC000823675066	921997638	/nfs/dbraw/zinc/99/76/38/921997638.db2.gz	ZFOWJRWJEUYOEO-UHFFFAOYSA-N	1	0	363.408	1.498	20	30		FDEDRO
Cn1nncc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001085187844	922078345	/nfs/dbraw/zinc/07/83/45/922078345.db2.gz	YOADPAWGPXZKIO-HZPDHXFCSA-N	1	0	356.405	1.657	20	30		FDEDRO
Cn1cnc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(OCC#N)cc2)n1	ZINC001085190838	922120161	/nfs/dbraw/zinc/12/01/61/922120161.db2.gz	WCIXAQQIHZZEOD-IAGOWNOFSA-N	1	0	368.441	1.548	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cn(C)nn1	ZINC001085189650	922149847	/nfs/dbraw/zinc/14/98/47/922149847.db2.gz	LWBVYUFUJLBIKG-HZPDHXFCSA-N	1	0	368.441	1.526	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@](C)(CNc3ccnc(C#N)n3)C2)CC[N@@H+]1C	ZINC001065504045	922335531	/nfs/dbraw/zinc/33/55/31/922335531.db2.gz	NDPGJTDDDLEZOO-KHYOSLBOSA-N	1	0	356.474	1.151	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2ccc(C#N)cn2)CC[N@@H+]1C	ZINC001066202716	922623975	/nfs/dbraw/zinc/62/39/75/922623975.db2.gz	MNKKDTGGVGVFCR-DDBAPUKQSA-N	1	0	353.470	1.863	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)C1	ZINC001085202576	922669022	/nfs/dbraw/zinc/66/90/22/922669022.db2.gz	KNKIIABCKILNRZ-UTRMSSBJSA-N	1	0	368.481	1.990	20	30		FDEDRO
CN1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)CC1=O	ZINC001085216816	922853593	/nfs/dbraw/zinc/85/35/93/922853593.db2.gz	FDNWGYDJFYQNPU-RCCFBDPRSA-N	1	0	354.454	1.554	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccnnc2C)C1=O	ZINC001085260943	923265990	/nfs/dbraw/zinc/26/59/90/923265990.db2.gz	OAPRGZGRMOKBQY-ZACQAIPSSA-N	1	0	357.458	1.203	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cn(C)ccc1=O	ZINC001085269605	923364669	/nfs/dbraw/zinc/36/46/69/923364669.db2.gz	IOCYTDWJPPZCOM-ZIAGYGMSSA-N	1	0	368.275	1.925	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCCC2=O)cc1	ZINC001085292725	923603150	/nfs/dbraw/zinc/60/31/50/923603150.db2.gz	BBTFZVHCEMFFER-RTBURBONSA-N	1	0	353.466	1.921	20	30		FDEDRO
C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)CCC(=O)N1	ZINC001085321921	923870515	/nfs/dbraw/zinc/87/05/15/923870515.db2.gz	PGOLTYXJNXCAAY-HLIPFELVSA-N	1	0	354.454	1.744	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)CC2=CCOCC2)C1=O	ZINC001085321868	923871103	/nfs/dbraw/zinc/87/11/03/923871103.db2.gz	MWOUQFOLHJLMPQ-KZNAEPCWSA-N	1	0	361.486	1.527	20	30		FDEDRO
C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)CCC(=O)N1	ZINC001085322088	923871364	/nfs/dbraw/zinc/87/13/64/923871364.db2.gz	XYNNPTIBPIQXNI-HLIPFELVSA-N	1	0	354.454	1.744	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H](C)c2nnc(C)[nH]2)c1	ZINC001085326012	923916620	/nfs/dbraw/zinc/91/66/20/923916620.db2.gz	RIOPFBJURUINHG-CSMYWGQOSA-N	1	0	352.442	1.881	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)cc1	ZINC001085329894	923923936	/nfs/dbraw/zinc/92/39/36/923923936.db2.gz	KCMJPAAJXVSDPE-ZJPYXAASSA-N	1	0	370.453	1.108	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H](CC)C(N)=O)cc1	ZINC001085356267	924158495	/nfs/dbraw/zinc/15/84/95/924158495.db2.gz	NNIZJTKICYRPNE-KZNAEPCWSA-N	1	0	357.454	1.593	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ncccc2F)C1=O	ZINC001085374255	924326415	/nfs/dbraw/zinc/32/64/15/924326415.db2.gz	GSMVYHSFFKNBID-OAGGEKHMSA-N	1	0	360.433	1.638	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001085387983	924382027	/nfs/dbraw/zinc/38/20/27/924382027.db2.gz	PDISXYBELFTVCI-ATZDWAIDSA-N	1	0	368.481	1.944	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCOC1	ZINC001085398722	924450087	/nfs/dbraw/zinc/45/00/87/924450087.db2.gz	WPJKOLUYARVNRH-KBAYOESNSA-N	1	0	357.454	1.761	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cncn1	ZINC001085414477	924559176	/nfs/dbraw/zinc/55/91/76/924559176.db2.gz	WYLIOKQRPWVBOB-IAGOWNOFSA-N	1	0	356.405	1.506	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cncnc2CC)C1=O	ZINC001085425420	924625281	/nfs/dbraw/zinc/62/52/81/924625281.db2.gz	NKLRBTUSKWNMMF-KZNAEPCWSA-N	1	0	371.485	1.457	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1	ZINC001066268446	924852958	/nfs/dbraw/zinc/85/29/58/924852958.db2.gz	VOWGSPWGFJRAKJ-FGTMMUONSA-N	1	0	365.518	1.807	20	30		FDEDRO
N#Cc1cccnc1NCCNC(=O)N1CC[NH+](CC2CCOCC2)CC1	ZINC000737037206	924932446	/nfs/dbraw/zinc/93/24/46/924932446.db2.gz	IGPHHOSLGIMKSK-UHFFFAOYSA-N	1	0	372.473	1.119	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCCN1CCCC1=O	ZINC001085601567	924948845	/nfs/dbraw/zinc/94/88/45/924948845.db2.gz	AEJGYOQARHRJPQ-KURKYZTESA-N	1	0	363.502	1.513	20	30		FDEDRO
C[NH+](C)CC1CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC1	ZINC000738077398	925089570	/nfs/dbraw/zinc/08/95/70/925089570.db2.gz	ULSMZDZVGFVFCB-HXUWFJFHSA-N	1	0	369.469	1.556	20	30		FDEDRO
C[NH+](C)CC1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1	ZINC000738077393	925090094	/nfs/dbraw/zinc/09/00/94/925090094.db2.gz	ULSMZDZVGFVFCB-FQEVSTJZSA-N	1	0	369.469	1.556	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)CC1	ZINC000739774543	925307790	/nfs/dbraw/zinc/30/77/90/925307790.db2.gz	PGZOFPGIUWCARE-UHFFFAOYSA-N	1	0	368.481	1.672	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCc1cnn(CC)c1	ZINC001085868879	925356199	/nfs/dbraw/zinc/35/61/99/925356199.db2.gz	BSPKTVYSFPKSFN-QYZOEREBSA-N	1	0	360.502	1.959	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1	ZINC000740735917	925419762	/nfs/dbraw/zinc/41/97/62/925419762.db2.gz	VCQRJURAAWHDOP-UHFFFAOYSA-N	1	0	359.382	1.584	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1	ZINC000740885388	925485878	/nfs/dbraw/zinc/48/58/78/925485878.db2.gz	SPPCGXQSIQRIHT-KFWWJZLASA-N	1	0	352.479	1.982	20	30		FDEDRO
C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CC[C@@H]([NH+]3CC=CC3)C2)C1=O	ZINC000742163848	925945235	/nfs/dbraw/zinc/94/52/35/925945235.db2.gz	WROZCPQRUNBEJJ-XLIONFOSSA-N	1	0	365.437	1.229	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)COc2ccc(N3CCCC3=O)cc2)CC1	ZINC000742179455	925970813	/nfs/dbraw/zinc/97/08/13/925970813.db2.gz	DKVOYNGXDUQNOX-UHFFFAOYSA-N	1	0	369.465	1.796	20	30		FDEDRO
CC#CCN1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H](n2ccnn2)C1	ZINC001129326476	926002817	/nfs/dbraw/zinc/00/28/17/926002817.db2.gz	IQRISJNIOHUTLZ-FGTMMUONSA-N	1	0	360.506	1.009	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)C1=O	ZINC001086155516	926163237	/nfs/dbraw/zinc/16/32/37/926163237.db2.gz	KPZANQNFHRGMAG-WJNMYVKJSA-N	1	0	361.486	1.073	20	30		FDEDRO
C[NH+](C)CCNC(=O)CC1SC(=Nc2ccc(Cl)cc2F)NC1=O	ZINC000766284455	926189553	/nfs/dbraw/zinc/18/95/53/926189553.db2.gz	STFPJMHAYCWUIH-LBPRGKRZSA-N	1	0	372.853	1.766	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001086197680	926261611	/nfs/dbraw/zinc/26/16/11/926261611.db2.gz	VXDIVGQGXUVSJA-XWTMOSNGSA-N	1	0	354.454	1.267	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)cc1	ZINC001086199994	926269841	/nfs/dbraw/zinc/26/98/41/926269841.db2.gz	BXSMFMTWHVSLEA-BDXSIMOUSA-N	1	0	354.454	1.444	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc3n(n2)CCCC3)C1	ZINC001086202278	926286989	/nfs/dbraw/zinc/28/69/89/926286989.db2.gz	QRFSDVKBHNPWPH-OHQAAIJDSA-N	1	0	358.486	1.795	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)c2nnnn2C)C1	ZINC001086220681	926326234	/nfs/dbraw/zinc/32/62/34/926326234.db2.gz	LXEWQGUONVVJSM-OWYFMNJBSA-N	1	0	362.478	1.127	20	30		FDEDRO
C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CCC[C@@H](C)[C@@H]2CCC)c1=O	ZINC000743380143	926352466	/nfs/dbraw/zinc/35/24/66/926352466.db2.gz	FYUHSNIIGFSCBA-CVEARBPZSA-N	1	0	362.474	1.402	20	30		FDEDRO
CC(=NNC(=S)NC[C@H]1CCCO1)c1cccc(OCC[NH+](C)C)c1	ZINC000743526002	926383464	/nfs/dbraw/zinc/38/34/64/926383464.db2.gz	MTJGVRJPRIJGAM-QGZVFWFLSA-N	1	0	364.515	1.994	20	30		FDEDRO
C#CCN(CC#CC)CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1	ZINC000743854948	926475832	/nfs/dbraw/zinc/47/58/32/926475832.db2.gz	VAXNJNOYOFDBNI-UHFFFAOYSA-N	1	0	351.494	1.988	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NCC1CC[NH+](CC)CC1	ZINC000743916380	926492450	/nfs/dbraw/zinc/49/24/50/926492450.db2.gz	MUVLRFGVWNIKFR-UHFFFAOYSA-N	1	0	361.417	1.624	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NCC1CC[NH+](CC)CC1	ZINC000743916348	926492486	/nfs/dbraw/zinc/49/24/86/926492486.db2.gz	LYIWWRDSGUDCMG-UHFFFAOYSA-N	1	0	361.417	1.624	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1	ZINC000743898629	926498319	/nfs/dbraw/zinc/49/83/19/926498319.db2.gz	HAYDDMYMJAZPCG-CQSZACIVSA-N	1	0	361.417	1.623	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C3)cc1	ZINC001006296638	926634145	/nfs/dbraw/zinc/63/41/45/926634145.db2.gz	YGQCYIWRAWYXGP-XLNTUCKNSA-N	1	0	365.477	1.871	20	30		FDEDRO
CCCNC(=S)NN=C1c2ccccc2N(CC[NH+](CC)CC)C1=O	ZINC000744755593	926843085	/nfs/dbraw/zinc/84/30/85/926843085.db2.gz	SYUVVNPYNQOYGJ-UHFFFAOYSA-N	1	0	361.515	1.953	20	30		FDEDRO
C#CCN(CC#CC)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000745803744	927423058	/nfs/dbraw/zinc/42/30/58/927423058.db2.gz	WXFLWFZLIMTFLV-UHFFFAOYSA-N	1	0	368.485	1.047	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2OCC[C@H]2C)C1	ZINC001086481417	927520979	/nfs/dbraw/zinc/52/09/79/927520979.db2.gz	GHDVXSDIHOMWEX-VWMOJTHMSA-N	1	0	357.454	1.976	20	30		FDEDRO
Cc1ccc(NC(=O)CCNC(=O)C2N=CC=CC2=O)c(C[NH+](C)C)c1	ZINC000746021453	927544495	/nfs/dbraw/zinc/54/44/95/927544495.db2.gz	BULWLGFCEUJMMU-HNENSFHCSA-N	1	0	356.426	1.912	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1	ZINC001086500165	927660457	/nfs/dbraw/zinc/66/04/57/927660457.db2.gz	OXTCCWJHYALQNO-ATIWLJMLSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cnns2)C1	ZINC001086500401	927663374	/nfs/dbraw/zinc/66/33/74/927663374.db2.gz	AFVDJBYXMFJGCR-SDADXPQNSA-N	1	0	350.488	1.894	20	30		FDEDRO
CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)Nc2cnn(CC#N)c2)c1	ZINC000746365380	927914965	/nfs/dbraw/zinc/91/49/65/927914965.db2.gz	PUCUILMXNNUVKX-UHFFFAOYSA-N	1	0	368.441	1.503	20	30		FDEDRO
C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2cnn(CC#N)c2)C1	ZINC000746375665	927924333	/nfs/dbraw/zinc/92/43/33/927924333.db2.gz	AJQNIGROSVCSPP-ZIAGYGMSSA-N	1	0	360.462	1.218	20	30		FDEDRO
C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)Nc1cnn(CC#N)c1)c1ccccc1	ZINC000746415223	927961283	/nfs/dbraw/zinc/96/12/83/927961283.db2.gz	SJSDDZISLOMNLK-AWEZNQCLSA-N	1	0	368.441	1.591	20	30		FDEDRO
CCC[NH+]1CCN(c2ccccc2C=Nn2c(=O)cn[nH]c2=S)CC1	ZINC000766474201	928071552	/nfs/dbraw/zinc/07/15/52/928071552.db2.gz	LDEDYQXMPATCRS-UHFFFAOYSA-N	1	0	358.471	1.341	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC001169208915	928342550	/nfs/dbraw/zinc/34/25/50/928342550.db2.gz	RLEJUEJJUGQEDX-OAHLLOKOSA-N	1	0	359.474	1.667	20	30		FDEDRO
C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CC[C@@](C)(C#N)C1	ZINC001169218199	928348411	/nfs/dbraw/zinc/34/84/11/928348411.db2.gz	NLPLCNNGDWCCSF-LIRRHRJNSA-N	1	0	372.473	1.228	20	30		FDEDRO
COc1ccc(OC)c([C@H](O)CNC(=O)C[NH2+]C#C[Si](C)(C)C)c1	ZINC001169440183	928617961	/nfs/dbraw/zinc/61/79/61/928617961.db2.gz	FTKRZTDIXGKRDU-OAHLLOKOSA-N	1	0	350.491	1.281	20	30		FDEDRO
COc1ccc(C(=NO)Nc2ccc3c([C@@H]4CCC[NH2+]4)nnn3c2)nc1	ZINC001169601339	928775308	/nfs/dbraw/zinc/77/53/08/928775308.db2.gz	PHUAQMDNBMMCMX-ZDUSSCGKSA-N	1	0	353.386	1.805	20	30		FDEDRO
CCOC(=O)N1CCC[C@H](NC(=[NH2+])c2ccc(S(C)(=O)=O)cc2)CC1	ZINC001169661421	928831074	/nfs/dbraw/zinc/83/10/74/928831074.db2.gz	JHMKAICOUYTFJD-AWEZNQCLSA-N	1	0	367.471	1.806	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2cccc2)[C@@H](n2ccnn2)C1	ZINC001129342706	928871003	/nfs/dbraw/zinc/87/10/03/928871003.db2.gz	VBVRITVMSOHCCK-KSZLIROESA-N	1	0	356.474	1.866	20	30		FDEDRO
NC(=O)c1ccc(C(=[NH2+])N[C@@H]2CCCN(C(=O)c3ccccc3)C2)cc1	ZINC001169744837	928881599	/nfs/dbraw/zinc/88/15/99/928881599.db2.gz	IYOOGHOYABBHDV-QGZVFWFLSA-N	1	0	350.422	1.796	20	30		FDEDRO
COC(=O)n1ncc(C#N)c1Nc1cncc(OCC[NH+]2CCCC2)n1	ZINC001169965186	928981603	/nfs/dbraw/zinc/98/16/03/928981603.db2.gz	MSEZABKSSGDCET-UHFFFAOYSA-N	1	0	357.374	1.377	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnc(OC)nc2)[C@@H](n2ccnn2)C1	ZINC001129366326	929281590	/nfs/dbraw/zinc/28/15/90/929281590.db2.gz	PHCXLNWRXGIHMX-IMJJTQAJSA-N	1	0	371.445	1.087	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cncn3)nc1)C2	ZINC001109579357	929825253	/nfs/dbraw/zinc/82/52/53/929825253.db2.gz	QQDVFJMOFDASIC-IKGGRYGDSA-N	1	0	352.442	1.964	20	30		FDEDRO
C=CCNc1ncc(C(=O)OCC(=O)NC2CC[NH+](C(C)C)CC2)s1	ZINC000770116825	929863750	/nfs/dbraw/zinc/86/37/50/929863750.db2.gz	JJBYRVSEGBELCB-UHFFFAOYSA-N	1	0	366.487	1.887	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1C(=O)CNC1=O	ZINC001109597690	929909943	/nfs/dbraw/zinc/90/99/43/929909943.db2.gz	UWDYCJAIXCMACF-ILXRZTDVSA-N	1	0	362.474	1.252	20	30		FDEDRO
Cn1cc(OCC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)cn1	ZINC001109647829	930005277	/nfs/dbraw/zinc/00/52/77/930005277.db2.gz	DLGOHIOERNYOCA-NEWSRXKRSA-N	1	0	365.437	1.592	20	30		FDEDRO
COc1ccc(CNC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cc1C#N	ZINC000770450887	930037392	/nfs/dbraw/zinc/03/73/92/930037392.db2.gz	JFSKIEOHWSDWRM-OAHLLOKOSA-N	1	0	359.474	1.392	20	30		FDEDRO
C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCN(S(C)(=O)=O)C1	ZINC001109657478	930044091	/nfs/dbraw/zinc/04/40/91/930044091.db2.gz	QUXFZBFQLNINBL-NCOADZHNSA-N	1	0	369.531	1.346	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C2	ZINC001109720088	930242571	/nfs/dbraw/zinc/24/25/71/930242571.db2.gz	TXXLXOJYBSABEQ-YLAKUSLOSA-N	1	0	365.493	1.570	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c3n(c(=O)n1C)CCCC3)C2	ZINC001109721385	930247988	/nfs/dbraw/zinc/24/79/88/930247988.db2.gz	ASTCPYPATDQVJV-PMPSAXMXSA-N	1	0	374.485	1.061	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N(C)C)o1	ZINC000770801342	930265463	/nfs/dbraw/zinc/26/54/63/930265463.db2.gz	HLDLOEQBDZFTIP-CYBMUJFWSA-N	1	0	356.444	1.420	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCN2CCOCC2)C3)c1	ZINC001109846763	930584851	/nfs/dbraw/zinc/58/48/51/930584851.db2.gz	VGMXHSDSJMDBCO-AABGKKOBSA-N	1	0	368.481	1.502	20	30		FDEDRO
C=C[C@@H](CO)[NH2+][C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1	ZINC001170025070	930585365	/nfs/dbraw/zinc/58/53/65/930585365.db2.gz	FWUJGAKGAVSGSA-MJBXVCDLSA-N	1	0	371.503	1.034	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C(=O)N(C)C)C2	ZINC001109988136	930959321	/nfs/dbraw/zinc/95/93/21/930959321.db2.gz	YZTKEMORRFPHLZ-MNEFBYGVSA-N	1	0	371.481	1.926	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC([C@H](O)c3nccn3C)CC2)CC1	ZINC000771987151	930996418	/nfs/dbraw/zinc/99/64/18/930996418.db2.gz	RFELQEQSWVSPPM-KRWDZBQOSA-N	1	0	361.490	1.526	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000772112900	931080564	/nfs/dbraw/zinc/08/05/64/931080564.db2.gz	GKCSEGYGDANICV-LJQANCHMSA-N	1	0	365.433	1.942	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1COc3ccccc3O1)C2	ZINC001110056992	931298294	/nfs/dbraw/zinc/29/82/94/931298294.db2.gz	UFPCDZFRNHMOED-PASDCYSWSA-N	1	0	358.438	1.751	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H]2C)cc1C#N	ZINC000772476566	931306147	/nfs/dbraw/zinc/30/61/47/931306147.db2.gz	AMMQWYZPNOXQTG-AWEZNQCLSA-N	1	0	358.442	1.884	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCCN1CCOCC1)C2	ZINC001112546170	931434582	/nfs/dbraw/zinc/43/45/82/931434582.db2.gz	XDLKIMRLNODWCQ-FPOVZHCZSA-N	1	0	361.530	1.731	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)NC(=O)CC1CCCC1)C2	ZINC001112546130	931435047	/nfs/dbraw/zinc/43/50/47/931435047.db2.gz	VDGYDIJCXRPJMA-MMOPVJDHSA-N	1	0	359.514	1.923	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCc1nncn1C)C2	ZINC001112555072	931525357	/nfs/dbraw/zinc/52/53/57/931525357.db2.gz	XUYVRQVEKRNBFV-YOEHRIQHSA-N	1	0	367.881	1.303	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(Cn3cccn3)on1)C2	ZINC001112559635	931565576	/nfs/dbraw/zinc/56/55/76/931565576.db2.gz	HQVQCJMUTQICKJ-KXBFYZLASA-N	1	0	355.442	1.937	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC(=O)NCC1CC1)C2	ZINC001112560065	931570649	/nfs/dbraw/zinc/57/06/49/931570649.db2.gz	CVPUGPZSYHYQOG-YJBOKZPZSA-N	1	0	353.894	1.874	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCc1nc(CC)no1)C2	ZINC001112560739	931570882	/nfs/dbraw/zinc/57/08/82/931570882.db2.gz	NCLNPBWJZAKOPY-KXBFYZLASA-N	1	0	362.474	1.943	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn([C@@H]3CCOC3)nn1)C2	ZINC001112558565	931579140	/nfs/dbraw/zinc/57/91/40/931579140.db2.gz	NDTLARYGYNSYSZ-FCEWJHQRSA-N	1	0	359.474	1.648	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc3c([nH]c1=O)CCOC3)C2	ZINC001112561546	931589701	/nfs/dbraw/zinc/58/97/01/931589701.db2.gz	FWJLBAHYUMOVRE-YWZLYKJASA-N	1	0	355.438	1.325	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCN(C(C)=O)C1)C2	ZINC001112571282	931654312	/nfs/dbraw/zinc/65/43/12/931654312.db2.gz	NMYIUBABFFSYOQ-HBFSDRIKSA-N	1	0	363.502	1.276	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(-n3cnnn3)cc1)C2	ZINC001112574754	931668147	/nfs/dbraw/zinc/66/81/47/931668147.db2.gz	YSIBPHRUPXWNHQ-PXNSSMCTSA-N	1	0	364.453	1.518	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)Cc1ccccc1)C2	ZINC001112573932	931679602	/nfs/dbraw/zinc/67/96/02/931679602.db2.gz	FADMZHOUKOKLEI-RXVVDRJESA-N	1	0	355.482	1.750	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCS1(=O)=O)C2	ZINC001112581942	931747583	/nfs/dbraw/zinc/74/75/83/931747583.db2.gz	BHHAYHORDWXMNF-JZXOWHBKSA-N	1	0	354.516	1.748	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1nc(C3CC3)nn1C)C2	ZINC001112582725	931750913	/nfs/dbraw/zinc/75/09/13/931750913.db2.gz	LDLGENCCDUNKRL-JXFKEZNVSA-N	1	0	355.486	1.477	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1[C@H]3[C@@H]1[C@@H]1CC[C@H]3C1)C2	ZINC001112588254	931793519	/nfs/dbraw/zinc/79/35/19/931793519.db2.gz	OPHXZCOSRKTHCP-ICNFQQOGSA-N	1	0	369.509	1.246	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(C)CC)C1	ZINC001112588950	931801440	/nfs/dbraw/zinc/80/14/40/931801440.db2.gz	DOXRWLUAJJDCNU-GJYPPUQNSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn(C)c(=O)n1C)C2	ZINC001112587445	931809635	/nfs/dbraw/zinc/80/96/35/931809635.db2.gz	XYUZKQKWBGPVMV-FTRWYGJKSA-N	1	0	360.502	1.910	20	30		FDEDRO
C[NH+](C)CCc1ccc(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1	ZINC000786252144	931822268	/nfs/dbraw/zinc/82/22/68/931822268.db2.gz	FQSQAEPZPDNVDU-IBGZPJMESA-N	1	0	355.486	1.672	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C(C)C)N1CCCC1=O)C2	ZINC001112590166	931834205	/nfs/dbraw/zinc/83/42/05/931834205.db2.gz	HQBZSPIGAPKBFH-CUWPLCDZSA-N	1	0	359.514	1.875	20	30		FDEDRO
Cn1ncc2c1[nH]c(NN=C1CCOC[C@H]1C[NH+]1CCCCC1)nc2=O	ZINC000787157020	932215573	/nfs/dbraw/zinc/21/55/73/932215573.db2.gz	CIQVUMNXBSZFMA-GFCCVEGCSA-N	1	0	359.434	1.359	20	30		FDEDRO
C[C@@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1)C(=O)NC1(C#N)CCC1	ZINC000787299187	932254969	/nfs/dbraw/zinc/25/49/69/932254969.db2.gz	NGIKEEARNFANMU-TZMCWYRMSA-N	1	0	350.463	1.830	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)[C@@H](C#N)C1	ZINC000787522447	932310870	/nfs/dbraw/zinc/31/08/70/932310870.db2.gz	XYKKKNVRCXLXJR-HOCLYGCPSA-N	1	0	362.474	1.736	20	30		FDEDRO
C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1	ZINC000787608705	932336822	/nfs/dbraw/zinc/33/68/22/932336822.db2.gz	AKNQIPLCARTJSN-MRXNPFEDSA-N	1	0	356.470	1.944	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1	ZINC000787912020	932462829	/nfs/dbraw/zinc/46/28/29/932462829.db2.gz	RKMULLLHZCMJRM-GFCCVEGCSA-N	1	0	360.296	1.640	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)OCCC[NH+]2CCCC2)cc1	ZINC000787983603	932520365	/nfs/dbraw/zinc/52/03/65/932520365.db2.gz	SWMKSDXSXBQGTR-UHFFFAOYSA-N	1	0	352.456	1.794	20	30		FDEDRO
N#CCCn1cc(CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(-c2ccncc2)n1	ZINC000788512705	932719821	/nfs/dbraw/zinc/71/98/21/932719821.db2.gz	MZCASFGCPWWXKF-MOPGFXCFSA-N	1	0	366.469	1.812	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)C1	ZINC001086590903	933711278	/nfs/dbraw/zinc/71/12/78/933711278.db2.gz	GVBOTSTVRZKKIF-RYQLBKOJSA-N	1	0	369.465	1.684	20	30		FDEDRO
C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc(C3CC3)nn2)C1	ZINC001086592556	933815565	/nfs/dbraw/zinc/81/55/65/933815565.db2.gz	UFHVCBODLMPBKE-PKOBYXMFSA-N	1	0	351.454	1.926	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1	ZINC001086593393	933835311	/nfs/dbraw/zinc/83/53/11/933835311.db2.gz	SRPFRAPVZLNCBY-FUHWJXTLSA-N	1	0	350.422	1.001	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000793910901	938336660	/nfs/dbraw/zinc/33/66/60/938336660.db2.gz	KPUNIJMELCLRCB-NTZNESFSSA-N	1	0	360.296	1.494	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCC=C)C[C@@H]2n2ccnn2)cn1	ZINC001129396564	938402093	/nfs/dbraw/zinc/40/20/93/938402093.db2.gz	FYYCYDCGIIYBQS-MSOLQXFVSA-N	1	0	350.426	1.276	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC/C=C/CC)C[C@@H]2n2ccnn2)cn1	ZINC001129396485	938402403	/nfs/dbraw/zinc/40/24/03/938402403.db2.gz	FLNPDGXKRPXOQF-YSKLNCTFSA-N	1	0	364.453	1.666	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)Cc2csc(C)n2)[C@@H](n2ccnn2)C1	ZINC001129417693	938409785	/nfs/dbraw/zinc/40/97/85/938409785.db2.gz	JQXJXFVBUYPCFJ-CVEARBPZSA-N	1	0	360.487	1.593	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)CCc2c(C)noc2C)[C@@H](n2ccnn2)C1	ZINC001129422645	938412545	/nfs/dbraw/zinc/41/25/45/938412545.db2.gz	VLYSPGMKQREXAC-SJORKVTESA-N	1	0	358.446	1.433	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2ccnc2C)[C@@H](n2ccnn2)C1	ZINC001129433544	938423112	/nfs/dbraw/zinc/42/31/12/938423112.db2.gz	GCDKPNNZYJBKQD-OIISXLGYSA-N	1	0	357.462	1.179	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CN2CCCC2)[C@@H](n2ccnn2)C1	ZINC001129433591	938423540	/nfs/dbraw/zinc/42/35/40/938423540.db2.gz	HUXWPUDVKDHHLG-MSOLQXFVSA-N	1	0	360.506	1.462	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CCOCc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129440956	938426522	/nfs/dbraw/zinc/42/65/22/938426522.db2.gz	IRCAYLNMFMMHBN-MOPGFXCFSA-N	1	0	367.453	1.250	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001129481077	938433877	/nfs/dbraw/zinc/43/38/77/938433877.db2.gz	FQZHCPUGDOFVEE-QRQLOZEOSA-N	1	0	369.469	1.453	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2[nH]cnc2C)[C@@H](n2ccnn2)C1	ZINC001129503057	938437665	/nfs/dbraw/zinc/43/76/65/938437665.db2.gz	KGLCFYIICFBGBM-CVEARBPZSA-N	1	0	359.478	1.935	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(CC)n(C)n2)[C@@H](n2ccnn2)C1	ZINC001129490322	938441942	/nfs/dbraw/zinc/44/19/42/938441942.db2.gz	BYILPGIDDVBJRF-OLMNPRSZSA-N	1	0	371.489	1.584	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2C(=O)CCC2=O)C1	ZINC001086623108	938447831	/nfs/dbraw/zinc/44/78/31/938447831.db2.gz	KTELLBHUQBIQET-DLBZAZTESA-N	1	0	355.438	1.296	20	30		FDEDRO
O=C(C(F)F)N1C[C@@H]([NH2+]CC#Cc2ccc(F)cc2)[C@@H](n2ccnn2)C1	ZINC001129521721	938449834	/nfs/dbraw/zinc/44/98/34/938449834.db2.gz	RUGDPDBDBLCEJU-CABCVRRESA-N	1	0	363.343	1.076	20	30		FDEDRO
CCCCCC[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@@H]1n1ccnn1	ZINC001129603517	938462587	/nfs/dbraw/zinc/46/25/87/938462587.db2.gz	AWKGGUWMSAONSX-CABCVRRESA-N	1	0	350.492	1.457	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@@H](n2ccnn2)C1	ZINC001129666823	938478276	/nfs/dbraw/zinc/47/82/76/938478276.db2.gz	KAZKXCIXLNSOSP-MSOLQXFVSA-N	1	0	350.426	1.658	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(COC)cc2)[C@@H](n2ccnn2)C1	ZINC001129666616	938478433	/nfs/dbraw/zinc/47/84/33/938478433.db2.gz	CVAWZKVIQCASMB-MOPGFXCFSA-N	1	0	369.469	1.932	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]CCO[C@@H]2CC2(F)F)[C@@H](n2ccnn2)C1	ZINC001129671519	938479594	/nfs/dbraw/zinc/47/95/94/938479594.db2.gz	RAOAGZYGLIGTBL-HZSPNIEDSA-N	1	0	355.389	1.010	20	30		FDEDRO
Cc1ccc(OCC[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2n2ccnn2)cc1	ZINC001129690812	938486410	/nfs/dbraw/zinc/48/64/10/938486410.db2.gz	NQIFOQSJCWUBMA-JQHSSLGASA-N	1	0	368.441	1.167	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cc(C)on2)C[C@@H]1n1ccnn1	ZINC001129695899	938487049	/nfs/dbraw/zinc/48/70/49/938487049.db2.gz	IOLWPPPTSPPWMZ-XKQJLSEDSA-N	1	0	358.446	1.513	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2C[C@@H]([NH2+]CCCC3CCC3)[C@@H](n3ccnn3)C2)c1	ZINC001129737615	938497352	/nfs/dbraw/zinc/49/73/52/938497352.db2.gz	RJXDVIWHJCDVFW-MSOLQXFVSA-N	1	0	367.457	1.713	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cc(C)ncn2)C[C@@H]1n1ccnn1	ZINC001129748339	938506556	/nfs/dbraw/zinc/50/65/56/938506556.db2.gz	YIWWREKPHRKAHA-MSOLQXFVSA-N	1	0	369.473	1.778	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1n1ccnn1	ZINC001129795774	938509224	/nfs/dbraw/zinc/50/92/24/938509224.db2.gz	PQGZLDHZFBWVEJ-ZBFHGGJFSA-N	1	0	360.466	1.032	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1n1ccnn1	ZINC001129778181	938513822	/nfs/dbraw/zinc/51/38/22/938513822.db2.gz	POMVBBNIVKHGDE-XKQJLSEDSA-N	1	0	353.430	1.488	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H]([NH2+][C@@H]2CCc3ccccc32)[C@@H](n2ccnn2)C1	ZINC001129822068	938521879	/nfs/dbraw/zinc/52/18/79/938521879.db2.gz	DGEJOSNNQQSNHO-AQNXPRMDSA-N	1	0	363.465	1.967	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H]([NH2+]CCOc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129822151	938521949	/nfs/dbraw/zinc/52/19/49/938521949.db2.gz	HNQGHGPXQKDDIV-MOPGFXCFSA-N	1	0	367.453	1.358	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(OC)ncn2)C[C@@H]1n1ccnn1	ZINC001129844158	938525010	/nfs/dbraw/zinc/52/50/10/938525010.db2.gz	DSRHVHDUNHUGKP-BMFZPTHFSA-N	1	0	371.445	1.087	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2(CCOCC)CCC2)C[C@@H]1n1ccnn1	ZINC001129845201	938525257	/nfs/dbraw/zinc/52/52/57/938525257.db2.gz	OREHTODVZUHQGS-SJORKVTESA-N	1	0	359.474	1.240	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCO[C@H]2C(C)C)C[C@@H]1n1ccnn1	ZINC001129854821	938528038	/nfs/dbraw/zinc/52/80/38/938528038.db2.gz	AHKZFALNSFGTFP-MHORFTMASA-N	1	0	361.490	1.647	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2sc(C3CC3)nc2C)C[C@@H]1n1ccnn1	ZINC001129838313	938535343	/nfs/dbraw/zinc/53/53/43/938535343.db2.gz	UTQLQGREYAULTJ-CABCVRRESA-N	1	0	370.482	1.599	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2sc(Cl)nc2C)C[C@@H]1n1ccnn1	ZINC001129878880	938536280	/nfs/dbraw/zinc/53/62/80/938536280.db2.gz	JPDIVQIOCBAUFE-NEPJUHHUSA-N	1	0	364.862	1.375	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCOCC(F)F)C[C@@H]1n1ccnn1	ZINC001129866999	938543861	/nfs/dbraw/zinc/54/38/61/938543861.db2.gz	MFCRLVLGHTZZGT-KGLIPLIRSA-N	1	0	357.405	1.258	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2nsc3ccccc32)C[C@@H]1n1ccnn1	ZINC001129867847	938544237	/nfs/dbraw/zinc/54/42/37/938544237.db2.gz	YUSZRQURNSKBSU-CABCVRRESA-N	1	0	366.450	1.566	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2ccncc2)C[C@@H]1n1ccnn1	ZINC001129910501	938550206	/nfs/dbraw/zinc/55/02/06/938550206.db2.gz	VZNWAKRYFQQLDB-JQHSSLGASA-N	1	0	352.442	1.232	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCn3nccc32)C[C@@H]1n1ccnn1	ZINC001129914729	938552631	/nfs/dbraw/zinc/55/26/31/938552631.db2.gz	FEYXQLWIEFJJFR-JZXOWHBKSA-N	1	0	369.473	1.360	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cncc3C2)C[C@@H]1n1ccnn1	ZINC001129917071	938553955	/nfs/dbraw/zinc/55/39/55/938553955.db2.gz	KFYHBHDVJJGTST-NXHRZFHOSA-N	1	0	369.473	1.045	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2ccc(=O)[nH]c2)C[C@@H]1n1ccnn1	ZINC001129939583	938565484	/nfs/dbraw/zinc/56/54/84/938565484.db2.gz	LJOXUWOWZDBACD-OIISXLGYSA-N	1	0	370.457	1.318	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ncccc2CC)C[C@@H]1n1ccnn1	ZINC001129919274	938567725	/nfs/dbraw/zinc/56/77/25/938567725.db2.gz	TXELUNKYXHXLFC-SJORKVTESA-N	1	0	354.458	1.857	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ncnc3[nH]ccc32)C[C@@H]1n1ccnn1	ZINC001129923737	938569732	/nfs/dbraw/zinc/56/97/32/938569732.db2.gz	TWYXLCSBTXQNSX-CABCVRRESA-N	1	0	366.429	1.123	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc3cccnc32)C[C@@H]1n1ccnn1	ZINC001129925269	938570818	/nfs/dbraw/zinc/57/08/18/938570818.db2.gz	XHVOFYIFQQXGMC-MSOLQXFVSA-N	1	0	360.421	1.505	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)CCOC3)C[C@@H]1n1ccnn1	ZINC001129930891	938573205	/nfs/dbraw/zinc/57/32/05/938573205.db2.gz	XPJCWWBVDKTENU-MOPGFXCFSA-N	1	0	365.437	1.029	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC=CCC2)C[C@@H]1n1ccnn1	ZINC001129959488	938578305	/nfs/dbraw/zinc/57/83/05/938578305.db2.gz	ZSEPEKIABBXTDA-KSZLIROESA-N	1	0	359.474	1.569	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2(C3CCC3)CCC2)C[C@@H]1n1ccnn1	ZINC001129945286	938580450	/nfs/dbraw/zinc/58/04/50/938580450.db2.gz	HNJDOZMHJKUWCU-MSOLQXFVSA-N	1	0	371.485	1.240	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cncc(C)c2)C[C@@H]1n1ccnn1	ZINC001129945534	938580866	/nfs/dbraw/zinc/58/08/66/938580866.db2.gz	PKSRDGASUHPRKV-QRQLOZEOSA-N	1	0	368.485	1.920	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CCCO2)C[C@@H]1n1ccnn1	ZINC001129972891	938591620	/nfs/dbraw/zinc/59/16/20/938591620.db2.gz	QVLDCFSYTTVKNT-PMPSAXMXSA-N	1	0	371.445	1.084	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]([NH2+]C[C@H]3CCOC3)[C@@H](n3ccnn3)C2)CCC1	ZINC001129994215	938602993	/nfs/dbraw/zinc/60/29/93/938602993.db2.gz	BPIQRRRDCVHLQQ-ZACQAIPSSA-N	1	0	359.474	1.403	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]([NH2+]CCCCCF)[C@@H](n3ccnn3)C2)c1	ZINC001129997535	938605656	/nfs/dbraw/zinc/60/56/56/938605656.db2.gz	QQNPBGHSTNYLEQ-MSOLQXFVSA-N	1	0	370.432	1.450	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(CC)C[C@H](O)c2ccc(C)cc2)CC1	ZINC000804891547	938610344	/nfs/dbraw/zinc/61/03/44/938610344.db2.gz	NTFOTLKNQQHEAT-IBGZPJMESA-N	1	0	373.497	1.644	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCc2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001129990119	938612520	/nfs/dbraw/zinc/61/25/20/938612520.db2.gz	MUJWIMYZBHCYIM-MOPGFXCFSA-N	1	0	351.454	1.584	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(CC)cn2)C[C@@H]1n1ccnn1	ZINC001130014224	938615415	/nfs/dbraw/zinc/61/54/15/938615415.db2.gz	FTRBUEIWMAEDDO-MSOLQXFVSA-N	1	0	354.458	1.396	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccc(C=C)cc2)C[C@@H]1n1ccnn1	ZINC001130015468	938616850	/nfs/dbraw/zinc/61/68/50/938616850.db2.gz	WOJHTJIVZMJUSC-MOPGFXCFSA-N	1	0	367.453	1.779	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3ccccc3C2)C[C@@H]1n1ccnn1	ZINC001130020832	938619843	/nfs/dbraw/zinc/61/98/43/938619843.db2.gz	ZHZXJUVOSKPZRN-ZCNNSNEGSA-N	1	0	363.465	1.448	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ncsc2C2CC2)C[C@@H]1n1ccnn1	ZINC001130006173	938623610	/nfs/dbraw/zinc/62/36/10/938623610.db2.gz	WPCQPCCKNSDNFU-KGLIPLIRSA-N	1	0	356.455	1.291	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2c(C)noc2C)C[C@@H]1n1ccnn1	ZINC001130040622	938627012	/nfs/dbraw/zinc/62/70/12/938627012.db2.gz	DGEJWQKXVCHGHX-WQVCFCJDSA-N	1	0	356.430	1.051	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)no2)C[C@@H]1n1ccnn1	ZINC001130024384	938628537	/nfs/dbraw/zinc/62/85/37/938628537.db2.gz	SZSJEYHWOZYYOY-CVEARBPZSA-N	1	0	356.430	1.765	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cscn2)C[C@@H]1n1ccnn1	ZINC001130027926	938630305	/nfs/dbraw/zinc/63/03/05/938630305.db2.gz	COMJHVJVBJADLV-BMFZPTHFSA-N	1	0	360.487	1.674	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2cccnc2)C[C@@H]1n1ccnn1	ZINC001130028504	938630841	/nfs/dbraw/zinc/63/08/41/938630841.db2.gz	ULAMABMQUDRTHN-JQHSSLGASA-N	1	0	354.458	1.785	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc([C@@H](C)CC)no2)C[C@@H]1n1ccnn1	ZINC001130032766	938633367	/nfs/dbraw/zinc/63/33/67/938633367.db2.gz	MAKKXNFOOXUFBL-IMJJTQAJSA-N	1	0	356.430	1.458	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc3ccccn3c2)C[C@@H]1n1ccnn1	ZINC001130032767	938633425	/nfs/dbraw/zinc/63/34/25/938633425.db2.gz	MDYYOCUQMHMDTL-MSOLQXFVSA-N	1	0	350.426	1.762	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2csc(C)c2)C[C@@H]1n1ccnn1	ZINC001130037971	938635817	/nfs/dbraw/zinc/63/58/17/938635817.db2.gz	FJZMVWOGUDXUEA-CVEARBPZSA-N	1	0	361.471	1.506	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2ccccc2F)C[C@@H]1n1ccnn1	ZINC001130044045	938643273	/nfs/dbraw/zinc/64/32/73/938643273.db2.gz	NIHNTATTYGNYDV-LZQZEXGQSA-N	1	0	369.444	1.976	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc(OC)c2F)C[C@@H]1n1ccnn1	ZINC001130050068	938648543	/nfs/dbraw/zinc/64/85/43/938648543.db2.gz	HTLBXQOSEMUFIC-CABCVRRESA-N	1	0	359.405	1.657	20	30		FDEDRO
C#CCCCS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000805053472	938654140	/nfs/dbraw/zinc/65/41/40/938654140.db2.gz	RFZZPGIMMYKGIP-QZTJIDSGSA-N	1	0	350.484	1.202	20	30		FDEDRO
C#CCCCS(=O)(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO	ZINC000805058273	938656129	/nfs/dbraw/zinc/65/61/29/938656129.db2.gz	QRSUBKXQDGUUEJ-GOSISDBHSA-N	1	0	350.484	1.476	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cn(CC)cn2)C[C@@H]1n1ccnn1	ZINC001130086079	938667443	/nfs/dbraw/zinc/66/74/43/938667443.db2.gz	KKWUZQIDUSSROX-INMHGKMJSA-N	1	0	357.462	1.505	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc3cnccc3c2)C[C@@H]1n1ccnn1	ZINC001130077495	938670726	/nfs/dbraw/zinc/67/07/26/938670726.db2.gz	LEJDIXKQYZUEGF-MOPGFXCFSA-N	1	0	360.421	1.505	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2sccc2COC)C[C@@H]1n1ccnn1	ZINC001130088702	938675245	/nfs/dbraw/zinc/67/52/45/938675245.db2.gz	FKIRCCFOBNZVIO-CABCVRRESA-N	1	0	361.471	1.717	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n3ccnn3)C2)nc1	ZINC001130091110	938676417	/nfs/dbraw/zinc/67/64/17/938676417.db2.gz	AYTCIVRZTPYDLP-VPIBYOGUSA-N	1	0	356.817	1.062	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001130091198	938676443	/nfs/dbraw/zinc/67/64/43/938676443.db2.gz	FQMORUZIASXXFX-UHOSZYNNSA-N	1	0	351.454	1.755	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]CC[C@@H](C)F)[C@@H](n3ccnn3)C2)nc1	ZINC001130094080	938678779	/nfs/dbraw/zinc/67/87/79/938678779.db2.gz	AOUPKDXUWJGRLL-XYPHTWIQSA-N	1	0	356.405	1.058	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2CCC(C3CC3)CC2)C[C@@H]1n1ccnn1	ZINC001130109956	938688647	/nfs/dbraw/zinc/68/86/47/938688647.db2.gz	MVDDYLWRCFSXSR-GMNCBBECSA-N	1	0	355.486	1.859	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3ccccc32)C[C@@H]1n1ccnn1	ZINC001130112386	938691180	/nfs/dbraw/zinc/69/11/80/938691180.db2.gz	WPBIKIBJDAYGFC-CVEARBPZSA-N	1	0	351.414	1.386	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001130112797	938692629	/nfs/dbraw/zinc/69/26/29/938692629.db2.gz	SDDVNGVBLZDFPW-UHOSZYNNSA-N	1	0	367.453	1.419	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2scnc2Cl)C[C@@H]1n1ccnn1	ZINC001130125255	938696020	/nfs/dbraw/zinc/69/60/20/938696020.db2.gz	DVOAOCOKYHKRPJ-MNOVXSKESA-N	1	0	350.835	1.067	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COc2cc(C)cc(C)c2)C[C@@H]1n1ccnn1	ZINC001130120719	938703406	/nfs/dbraw/zinc/70/34/06/938703406.db2.gz	FHJJXFJPAKFEBP-MOPGFXCFSA-N	1	0	369.469	1.892	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c(C)n[nH]c2C)C[C@@H]1n1ccnn1	ZINC001130121657	938703883	/nfs/dbraw/zinc/70/38/83/938703883.db2.gz	XQWCGZBSXOHVOQ-XWIAVFTESA-N	1	0	371.489	1.557	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3c2cccc3Cl)C[C@@H]1n1ccnn1	ZINC001130145801	938706080	/nfs/dbraw/zinc/70/60/80/938706080.db2.gz	BTAPSEQWQARNGS-NXHRZFHOSA-N	1	0	369.856	1.636	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)n2nc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001130148129	938706937	/nfs/dbraw/zinc/70/69/37/938706937.db2.gz	HGQSLBSKVKKBGS-KURKYZTESA-N	1	0	371.489	1.660	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)c2)C[C@@H]1n1ccnn1	ZINC001130140281	938712118	/nfs/dbraw/zinc/71/21/18/938712118.db2.gz	SQYJBXPJRDQJQV-NXHRZFHOSA-N	1	0	371.489	1.341	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2cccc(F)c2)C[C@@H]1n1ccnn1	ZINC001130148087	938712731	/nfs/dbraw/zinc/71/27/31/938712731.db2.gz	FCRXBXITIALBBK-LZQZEXGQSA-N	1	0	369.444	1.661	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CC/C=C/CCC)[C@@H](n2ccnn2)C1	ZINC001130151241	938715710	/nfs/dbraw/zinc/71/57/10/938715710.db2.gz	KQTOVRXCDBNDTM-GGMNTJEBSA-N	1	0	361.490	1.957	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCC=C)C[C@@H]1n1ccnn1	ZINC001130151544	938715934	/nfs/dbraw/zinc/71/59/34/938715934.db2.gz	WWRGANCLBFCIQQ-KSZLIROESA-N	1	0	361.490	1.957	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CCCOC(C)C)C[C@@H]1n1ccnn1	ZINC001130155531	938718523	/nfs/dbraw/zinc/71/85/23/938718523.db2.gz	LYCXXVGDZUUEMJ-SJORKVTESA-N	1	0	365.478	1.027	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3cccc(C)c3O2)C[C@@H]1n1ccnn1	ZINC001130160928	938721466	/nfs/dbraw/zinc/72/14/66/938721466.db2.gz	IQBGQNCOCUVBEL-SQNIBIBYSA-N	1	0	367.453	1.508	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccnc2)[nH]1	ZINC001130177867	938725607	/nfs/dbraw/zinc/72/56/07/938725607.db2.gz	YVQZQJPLIZPXII-GJZGRUSLSA-N	1	0	356.430	1.168	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H]2CCCO2)[nH]1	ZINC001130187707	938734108	/nfs/dbraw/zinc/73/41/08/938734108.db2.gz	FIRCLAJNZRKSQV-KKUMJFAQSA-N	1	0	363.462	1.028	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](CC)OC)n1	ZINC001130193092	938737444	/nfs/dbraw/zinc/73/74/44/938737444.db2.gz	IGDMEITXDAFUSK-AVGNSLFASA-N	1	0	371.869	1.061	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCCOC)[nH]1	ZINC001130193304	938738055	/nfs/dbraw/zinc/73/80/55/938738055.db2.gz	RDHZIMYZDMHGQU-GJZGRUSLSA-N	1	0	365.478	1.276	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)[nH]1	ZINC001130196269	938739796	/nfs/dbraw/zinc/73/97/96/938739796.db2.gz	ZNZGVJQRGBAOGR-CEEVZKBLSA-N	1	0	359.474	1.505	20	30		FDEDRO
CC(C)CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)C#N)[nH]1	ZINC001130203293	938745128	/nfs/dbraw/zinc/74/51/28/938745128.db2.gz	XNBPGUGMBVRIPL-ILXRZTDVSA-N	1	0	362.478	1.479	20	30		FDEDRO
C#CCCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(C)C)[nH]1	ZINC001130205016	938745693	/nfs/dbraw/zinc/74/56/93/938745693.db2.gz	PUEGOYVLNCARLM-HOTGVXAUSA-N	1	0	361.490	1.733	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](OCC)C(C)C)[nH]1	ZINC001130207815	938747008	/nfs/dbraw/zinc/74/70/08/938747008.db2.gz	QZJYMQQWYSWHBS-DZKIICNBSA-N	1	0	365.478	1.130	20	30		FDEDRO
CC(C)C#CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCC2CC2)[nH]1	ZINC001130209506	938747656	/nfs/dbraw/zinc/74/76/56/938747656.db2.gz	DJKGSKWQNMVXPR-HOTGVXAUSA-N	1	0	359.474	1.343	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(CC)ccn2)[nH]1	ZINC001130212763	938749515	/nfs/dbraw/zinc/74/95/15/938749515.db2.gz	BWKBJGOMBZHUGV-HOCLYGCPSA-N	1	0	370.457	1.340	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)C2CCC2)[nH]1	ZINC001130220579	938751756	/nfs/dbraw/zinc/75/17/56/938751756.db2.gz	FOHYYZJNXNHULS-KBMXLJTQSA-N	1	0	361.490	1.895	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H](C)SC)[nH]1	ZINC001130200825	938754444	/nfs/dbraw/zinc/75/44/44/938754444.db2.gz	XSMXRORQZRQGIA-RDBSUJKOSA-N	1	0	367.519	1.601	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CO[C@@H](C)CC)[nH]1	ZINC001130200912	938754674	/nfs/dbraw/zinc/75/46/74/938754674.db2.gz	ZWIJUJLFZFMLRH-KKUMJFAQSA-N	1	0	365.478	1.274	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC23CCC3)[nH]1	ZINC001130240300	938755755	/nfs/dbraw/zinc/75/57/55/938755755.db2.gz	MRCBIPUYKDKECO-ZNMIVQPWSA-N	1	0	357.458	1.097	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC23CCC3)[nH]1	ZINC001130240299	938755761	/nfs/dbraw/zinc/75/57/61/938755761.db2.gz	MRCBIPUYKDKECO-KKUMJFAQSA-N	1	0	357.458	1.097	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(CC)o2)[nH]1	ZINC001130221186	938756793	/nfs/dbraw/zinc/75/67/93/938756793.db2.gz	YUMLZPDJPZPPKU-ZFWWWQNUSA-N	1	0	359.430	1.538	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)C(CC)CC)n1	ZINC001130223661	938757440	/nfs/dbraw/zinc/75/74/40/938757440.db2.gz	ZYFGNRCVEXUDJN-KBMXLJTQSA-N	1	0	361.490	1.589	20	30		FDEDRO
C=CC(C)(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC[C@H](C)F)[nH]1	ZINC001130227475	938760926	/nfs/dbraw/zinc/76/09/26/938760926.db2.gz	ACDOEGIONYBMDS-IHRRRGAJSA-N	1	0	367.469	1.843	20	30		FDEDRO
CC#CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1	ZINC001130230169	938763817	/nfs/dbraw/zinc/76/38/17/938763817.db2.gz	PMVBDHCSROSOIJ-KBPBESRZSA-N	1	0	351.426	1.046	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCC#CC)[nH]1	ZINC001130230349	938764021	/nfs/dbraw/zinc/76/40/21/938764021.db2.gz	UDQQIXUIVGIFII-HOTGVXAUSA-N	1	0	359.474	1.653	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccccc2CC)n1	ZINC001130232190	938764725	/nfs/dbraw/zinc/76/47/25/938764725.db2.gz	CDBCNOKLESZMFZ-IRXDYDNUSA-N	1	0	367.453	1.392	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc[nH]c2C2CC2)n1	ZINC001130232439	938764974	/nfs/dbraw/zinc/76/49/74/938764974.db2.gz	HNLBRNLBLAHXQW-ZFWWWQNUSA-N	1	0	368.441	1.036	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H](C=C)CC)[nH]1	ZINC001130232724	938765014	/nfs/dbraw/zinc/76/50/14/938765014.db2.gz	PIULXCOYBOVTRD-JYJNAYRXSA-N	1	0	359.474	1.509	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(C)CC=CC2)n1	ZINC001130234776	938766204	/nfs/dbraw/zinc/76/62/04/938766204.db2.gz	LBZHYNDEKJYIIG-GJZGRUSLSA-N	1	0	357.458	1.263	20	30		FDEDRO
C=CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCF)[nH]1	ZINC001130237742	938767084	/nfs/dbraw/zinc/76/70/84/938767084.db2.gz	CJSUNXAWQVEOQV-KBPBESRZSA-N	1	0	353.442	1.599	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)C(C)(F)F)n1	ZINC001130237945	938767366	/nfs/dbraw/zinc/76/73/66/938767366.db2.gz	LEOIBJQNMOZCOU-AVGNSLFASA-N	1	0	369.416	1.198	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(CF)CC2)[nH]1	ZINC001130238215	938767865	/nfs/dbraw/zinc/76/78/65/938767865.db2.gz	ZKYXGZJEUMGCIB-KBPBESRZSA-N	1	0	365.453	1.599	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H](C)COC)[nH]1	ZINC001130247093	938771985	/nfs/dbraw/zinc/77/19/85/938771985.db2.gz	UONOJUJJPAJQIE-KKUMJFAQSA-N	1	0	365.478	1.132	20	30		FDEDRO
CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC#Cc2ccccc2)[nH]1	ZINC001130251320	938774470	/nfs/dbraw/zinc/77/44/70/938774470.db2.gz	NHXWMOQJUQPKDP-IRXDYDNUSA-N	1	0	367.453	1.345	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)C(C)(C)C)CC1	ZINC001130281221	938779232	/nfs/dbraw/zinc/77/92/32/938779232.db2.gz	DXCKHCJHYJDXDN-WBVHZDCISA-N	1	0	361.486	1.100	20	30		FDEDRO
C=CCC[C@H](C)[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCOC)CC1	ZINC001130266681	938782959	/nfs/dbraw/zinc/78/29/59/938782959.db2.gz	LEWAETJMFJGGSA-VPWXQRGCSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCC[C@@H](C)[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COCC)CC1	ZINC001130271896	938785721	/nfs/dbraw/zinc/78/57/21/938785721.db2.gz	ZEWFPBGXXHRFOO-MDYRTPRTSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@H](C)OC)CC1	ZINC001130276839	938788063	/nfs/dbraw/zinc/78/80/63/938788063.db2.gz	RMNIJPJWBFGREX-GMBSWORKSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC)CC1	ZINC001130278797	938788774	/nfs/dbraw/zinc/78/87/74/938788774.db2.gz	CRGSXARZLIGXEG-KYJSFNMBSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@@H](F)CC)CC1	ZINC001130279003	938789335	/nfs/dbraw/zinc/78/93/35/938789335.db2.gz	PJYFHTAHUNRZRQ-FCEWJHQRSA-N	1	0	369.481	1.413	20	30		FDEDRO
C=C(C)CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)COC)CC1	ZINC001130279240	938789356	/nfs/dbraw/zinc/78/93/56/938789356.db2.gz	XPGYINXZSAXLFD-SUMDDJOVSA-N	1	0	365.518	1.711	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)CSC)CC1	ZINC001130286051	938790949	/nfs/dbraw/zinc/79/09/49/938790949.db2.gz	VJGABKZEGYZMBC-LXZKKBNFSA-N	1	0	351.516	1.094	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCOCC)CC1	ZINC001130290639	938795026	/nfs/dbraw/zinc/79/50/26/938795026.db2.gz	IPYUXSMZKUDYQJ-XLIONFOSSA-N	1	0	365.518	1.855	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C#CC(C)(C)C)CC1	ZINC001130290553	938795050	/nfs/dbraw/zinc/79/50/50/938795050.db2.gz	DDSPYLQBGBZVHT-XLIONFOSSA-N	1	0	357.498	1.535	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCC=C)CC1	ZINC001130290683	938795418	/nfs/dbraw/zinc/79/54/18/938795418.db2.gz	KBWUSCLPHJQQKS-XLIONFOSSA-N	1	0	361.486	1.078	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(C)(C)COC)CC1	ZINC001130293123	938796807	/nfs/dbraw/zinc/79/68/07/938796807.db2.gz	MJFXCYPRCDFWEO-AEFFLSMTSA-N	1	0	365.518	1.711	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCC(C)(F)F)CC1	ZINC001130293527	938796934	/nfs/dbraw/zinc/79/69/34/938796934.db2.gz	YKYGQWZZJLKECB-PBHICJAKSA-N	1	0	355.429	1.530	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+]([C@@H](C)COC)CC1	ZINC001130295769	938798370	/nfs/dbraw/zinc/79/83/70/938798370.db2.gz	REUJNZVWNAYWMF-LESCRADOSA-N	1	0	365.518	1.709	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+]([C@H](C)COC)CC1	ZINC001130299012	938799349	/nfs/dbraw/zinc/79/93/49/938799349.db2.gz	SBJRCSNKEVWOGJ-MDYRTPRTSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@H](C)COC)CC1	ZINC001130304883	938803059	/nfs/dbraw/zinc/80/30/59/938803059.db2.gz	DVDJXKWDAKXEGU-VPWXQRGCSA-N	1	0	365.518	1.711	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)OCC=C)CC1	ZINC001130313430	938807814	/nfs/dbraw/zinc/80/78/14/938807814.db2.gz	ZJMFPEUUOWABRF-WDYCEAGBSA-N	1	0	361.486	1.076	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCC)CC1	ZINC001130313158	938807918	/nfs/dbraw/zinc/80/79/18/938807918.db2.gz	NWCKGUFXNKPRFI-SUMDDJOVSA-N	1	0	365.518	1.853	20	30		FDEDRO
C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3ncncc3C#N)cc2)CC1	ZINC001170487645	938818974	/nfs/dbraw/zinc/81/89/74/938818974.db2.gz	ZOVZDCMINFBUGO-WLYUNCDWSA-N	1	0	350.426	1.720	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccncc1	ZINC000805810837	938831168	/nfs/dbraw/zinc/83/11/68/938831168.db2.gz	JAJMRBKHVJWUPN-SJLPKXTDSA-N	1	0	356.470	1.759	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)C2=COCCO2)C1	ZINC001086635223	938839409	/nfs/dbraw/zinc/83/94/09/938839409.db2.gz	CUWUTKULKUWEFC-DOTOQJQBSA-N	1	0	371.437	1.830	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC=CCC2)C[C@H]1c1cn(C)cn1	ZINC001130500193	938883724	/nfs/dbraw/zinc/88/37/24/938883724.db2.gz	BATHMZLTUIRETO-JENIJYKNSA-N	1	0	356.470	1.310	20	30		FDEDRO
CC[C@@H](F)C[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@H]1c1cn(C)cn1	ZINC001130502609	938885367	/nfs/dbraw/zinc/88/53/67/938885367.db2.gz	UJCSEYGWUPTJOL-VNHYZAJKSA-N	1	0	353.467	1.309	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc(C)cn2)C[C@H]1c1cn(C)cn1	ZINC001130522337	938897080	/nfs/dbraw/zinc/89/70/80/938897080.db2.gz	BGUNXPRRJAQXRS-JENIJYKNSA-N	1	0	370.501	1.864	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)coc2C)C[C@H]1c1cn(C)cn1	ZINC001130574278	939874644	/nfs/dbraw/zinc/87/46/44/939874644.db2.gz	RGRHAIPUZCQFDE-FUHWJXTLSA-N	1	0	370.453	1.478	20	30		FDEDRO
CCO[C@H](C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1cn(C)cn1)C1CC1	ZINC001130586927	939887672	/nfs/dbraw/zinc/88/76/72/939887672.db2.gz	CQNKTWSBRXKOJU-DFQSSKMNSA-N	1	0	370.497	1.533	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC[C@@H](C)F)C1	ZINC001130587573	939888593	/nfs/dbraw/zinc/88/85/93/939888593.db2.gz	SYPGAVUHRLRNNW-HLLBOEOZSA-N	1	0	350.438	1.092	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ocnc2C)C1	ZINC001130580962	939893640	/nfs/dbraw/zinc/89/36/40/939893640.db2.gz	TVCAYFZRCSEEEP-DOTOQJQBSA-N	1	0	355.442	1.604	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccnn2CCC)C[C@H]1c1cn(C)cn1	ZINC001130600561	939895630	/nfs/dbraw/zinc/89/56/30/939895630.db2.gz	JKZNODQNPNLPRY-DOTOQJQBSA-N	1	0	356.474	1.801	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)nn2C)C[C@H]1c1cn(C)cn1	ZINC001130599095	939904624	/nfs/dbraw/zinc/90/46/24/939904624.db2.gz	HQJPZLVGWNTOGL-MAUKXSAKSA-N	1	0	368.485	1.805	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)nn2C)C[C@H]1c1cn(C)cn1	ZINC001130599093	939904689	/nfs/dbraw/zinc/90/46/89/939904689.db2.gz	HOVKGDUPDVWUBM-MAUKXSAKSA-N	1	0	366.469	1.252	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cn2ccc(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130599393	939904917	/nfs/dbraw/zinc/90/49/17/939904917.db2.gz	RACONVUNKWLMNR-VDZJLULYSA-N	1	0	368.485	1.169	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccnn2[C@H](C)CC)C[C@H]1c1cn(C)cn1	ZINC001130599358	939904941	/nfs/dbraw/zinc/90/49/41/939904941.db2.gz	PEHFQSGYQYMINV-SOLBZPMBSA-N	1	0	368.485	1.809	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC(=C)C)C2)CCOCC1	ZINC001130609865	939907562	/nfs/dbraw/zinc/90/75/62/939907562.db2.gz	ASGDJKGGRUWZLQ-PKOBYXMFSA-N	1	0	370.497	1.700	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1c1cn(C)cn1	ZINC001130610549	939908037	/nfs/dbraw/zinc/90/80/37/939908037.db2.gz	MBGHPZHXPMAGTQ-ONIAQPFYSA-N	1	0	362.474	1.074	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnc3n2CCC3)C[C@H]1c1cn(C)cn1	ZINC001130610356	939908042	/nfs/dbraw/zinc/90/80/42/939908042.db2.gz	KCXNKOKXSYYSIO-DOTOQJQBSA-N	1	0	368.485	1.727	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2CCC)C[C@H]1c1cn(C)cn1	ZINC001130622066	939920408	/nfs/dbraw/zinc/92/04/08/939920408.db2.gz	NXMCSQOXJIRARC-MAUKXSAKSA-N	1	0	354.458	1.317	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(Cl)n(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130623494	939921553	/nfs/dbraw/zinc/92/15/53/939921553.db2.gz	AUOQLEDFVDNDGP-SWLSCSKDSA-N	1	0	360.849	1.028	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3O2)C[C@H]1c1cn(C)cn1	ZINC001130623568	939921847	/nfs/dbraw/zinc/92/18/47/939921847.db2.gz	FMSIBWQBUGJUEX-HQRMLTQVSA-N	1	0	364.449	1.331	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(=O)oc2C)C[C@H]1c1cn(C)cn1	ZINC001130626343	939924040	/nfs/dbraw/zinc/92/40/40/939924040.db2.gz	KDARILWHQXTAGF-DOTOQJQBSA-N	1	0	368.437	1.211	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2cc(C)nn2C)C[C@H]1c1cn(C)cn1	ZINC001130627213	939925010	/nfs/dbraw/zinc/92/50/10/939925010.db2.gz	ZKMXRKVJLBOZTO-PKOBYXMFSA-N	1	0	370.501	1.555	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)C(C)(C)C)C[C@H]1c1cn(C)cn1	ZINC001130617033	939928598	/nfs/dbraw/zinc/92/85/98/939928598.db2.gz	PIIWAFHUFFRSDZ-XYJFISCASA-N	1	0	360.502	1.636	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)cc(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130619397	939930144	/nfs/dbraw/zinc/93/01/44/939930144.db2.gz	PJLXZBLNBJKKRZ-QFBILLFUSA-N	1	0	351.454	1.653	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1c1cn(C)cn1	ZINC001130619489	939930392	/nfs/dbraw/zinc/93/03/92/939930392.db2.gz	UBJYDXSTHCESCZ-FUHWJXTLSA-N	1	0	369.469	1.283	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c(C)nn(C)c2C)C[C@H]1c1cn(C)cn1	ZINC001130635303	939937694	/nfs/dbraw/zinc/93/76/94/939937694.db2.gz	SVUIRBKWIPXUIJ-FUHWJXTLSA-N	1	0	370.501	1.934	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1c1cn(C)cn1	ZINC001130654478	939948101	/nfs/dbraw/zinc/94/81/01/939948101.db2.gz	JYPAJRLCIQGWQA-JKIFEVAISA-N	1	0	370.457	1.056	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(F)c2F)C[C@H]1c1cn(C)cn1	ZINC001130654809	939948641	/nfs/dbraw/zinc/94/86/41/939948641.db2.gz	VPMOKOQOCJFSED-WMLDXEAASA-N	1	0	358.392	1.919	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cn2ccc(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130675149	939973036	/nfs/dbraw/zinc/97/30/36/939973036.db2.gz	OTJCSIBCGIBLKV-FUHWJXTLSA-N	1	0	356.474	1.475	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCC)C1	ZINC001130687765	939977838	/nfs/dbraw/zinc/97/78/38/939977838.db2.gz	PNFAKTNFKOCSNJ-LZLYRXPVSA-N	1	0	361.490	1.185	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2scnc2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130687947	939978204	/nfs/dbraw/zinc/97/82/04/939978204.db2.gz	XYRFWZWDLNPNIA-GOEBONIOSA-N	1	0	369.494	1.975	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2nnn(C(C)C)c2C)C[C@H]1c1cn(C)cn1	ZINC001130704277	939985195	/nfs/dbraw/zinc/98/51/95/939985195.db2.gz	IOHHKZXRTUQQQQ-DOTOQJQBSA-N	1	0	371.489	1.675	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnoc2C(C)C)C[C@H]1c1cn(C)cn1	ZINC001130706381	939987963	/nfs/dbraw/zinc/98/79/63/939987963.db2.gz	BZQMUGZZIWJPAV-DOTOQJQBSA-N	1	0	355.442	1.753	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)COCc2ccncc2)C[C@H]1c1cn(C)cn1	ZINC001130701338	939996324	/nfs/dbraw/zinc/99/63/24/939996324.db2.gz	RHCQEFBLRSZFAU-FUHWJXTLSA-N	1	0	355.442	1.102	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2conc2COC)C[C@H]1c1cn(C)cn1	ZINC001130709705	939997770	/nfs/dbraw/zinc/99/77/70/939997770.db2.gz	BTMBTHWAWCCKEG-XJKSGUPXSA-N	1	0	359.430	1.328	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn(C(C)C)c2C)C[C@H]1c1cn(C)cn1	ZINC001130708484	940014286	/nfs/dbraw/zinc/01/42/86/940014286.db2.gz	SGJSRHLUEZGEOW-PKOBYXMFSA-N	1	0	368.485	1.727	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cccn2)C[C@H]1c1cn(C)cn1	ZINC001130708391	940014373	/nfs/dbraw/zinc/01/43/73/940014373.db2.gz	MZYFDXJSVBCFOS-SOLBZPMBSA-N	1	0	354.458	1.175	20	30		FDEDRO
CCC(C)(CC)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#CCOC)C1	ZINC001130728833	940017717	/nfs/dbraw/zinc/01/77/17/940017717.db2.gz	NODDSXYWLSMJSZ-FUHWJXTLSA-N	1	0	360.502	1.780	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(F)cc2)C[C@H]1c1cn(C)cn1	ZINC001130721859	940026090	/nfs/dbraw/zinc/02/60/90/940026090.db2.gz	SRYOIIMQVVAQLP-PKOBYXMFSA-N	1	0	354.429	1.709	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COc2ccc(C)cc2)C[C@H]1c1cn(C)cn1	ZINC001130723470	940028234	/nfs/dbraw/zinc/02/82/34/940028234.db2.gz	LMBKIBIRXBTLIG-AZUAARDMSA-N	1	0	366.465	1.715	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COCc2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130723178	940028296	/nfs/dbraw/zinc/02/82/96/940028296.db2.gz	DNAHUQUHJGCGCA-AZUAARDMSA-N	1	0	366.465	1.544	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCCOC)C1	ZINC001130741772	940046106	/nfs/dbraw/zinc/04/61/06/940046106.db2.gz	PCDPMBCJGNQRPT-SOLBZPMBSA-N	1	0	364.490	1.322	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCCO3)n2)O1	ZINC001130753205	940062471	/nfs/dbraw/zinc/06/24/71/940062471.db2.gz	WZHZAQJLXNFACV-RRFJBIMHSA-N	1	0	363.462	1.376	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C=C(C)C)n2)O1	ZINC001130753201	940062635	/nfs/dbraw/zinc/06/26/35/940062635.db2.gz	WQNMQDNQGQKMHS-QWHCGFSZSA-N	1	0	353.854	1.949	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CSCCC)n2)O1	ZINC001130762394	940071182	/nfs/dbraw/zinc/07/11/82/940071182.db2.gz	UKWFAXGQVNMQOT-UONOGXRCSA-N	1	0	365.503	1.397	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C)no3)n2)O1	ZINC001130756400	940078578	/nfs/dbraw/zinc/07/85/78/940078578.db2.gz	FGDYEFHYQAWLNN-QWHCGFSZSA-N	1	0	360.418	1.417	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COCC)n2)O1	ZINC001130757624	940082013	/nfs/dbraw/zinc/08/20/13/940082013.db2.gz	CQOQLKIWSLPATQ-UONOGXRCSA-N	1	0	351.451	1.233	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCSCC)n2)O1	ZINC001130759624	940086321	/nfs/dbraw/zinc/08/63/21/940086321.db2.gz	BUPKIRWQZRJVHV-QWHCGFSZSA-N	1	0	353.492	1.560	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H](C)C(C)C)n2)O1	ZINC001130765012	940094203	/nfs/dbraw/zinc/09/42/03/940094203.db2.gz	CZMQBPNPZQKVTO-OWCLPIDISA-N	1	0	361.490	1.936	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC(F)(F)F)n2)O1	ZINC001130765437	940096096	/nfs/dbraw/zinc/09/60/96/940096096.db2.gz	SKKHFZYRCIZYRV-WDEREUQCSA-N	1	0	359.352	1.206	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cn[nH]c3)n2)O1	ZINC001130767575	940101418	/nfs/dbraw/zinc/10/14/18/940101418.db2.gz	MPKVSWFWAVKWNS-UONOGXRCSA-N	1	0	359.434	1.234	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)SC)n2)O1	ZINC001130767979	940102819	/nfs/dbraw/zinc/10/28/19/940102819.db2.gz	XGJPITQOMOGDPG-FRRDWIJNSA-N	1	0	353.492	1.558	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCC(F)(F)F)n2)O1	ZINC001130772176	940111217	/nfs/dbraw/zinc/11/12/17/940111217.db2.gz	BLLBOUXQLZRMPG-WDEREUQCSA-N	1	0	361.368	1.759	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCc3ccoc3)n2)O1	ZINC001130772215	940111463	/nfs/dbraw/zinc/11/14/63/940111463.db2.gz	DKEOLPLLBWJKLV-LSDHHAIUSA-N	1	0	357.414	1.090	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[C@H]3CCOC3)n2)O1	ZINC001130772689	940113419	/nfs/dbraw/zinc/11/34/19/940113419.db2.gz	XRKZJCAPJPVMIN-SOUVJXGZSA-N	1	0	363.462	1.233	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cncc(C)c3)n2)O1	ZINC001130772715	940113456	/nfs/dbraw/zinc/11/34/56/940113456.db2.gz	YNKLCWGYTIVIRC-JKSUJKDBSA-N	1	0	370.457	1.824	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(C)=C3CCC3)n2)O1	ZINC001130785451	940119898	/nfs/dbraw/zinc/11/98/98/940119898.db2.gz	NXDPPDXZBFHABY-JKSUJKDBSA-N	1	0	357.458	1.754	20	30		FDEDRO
C=CCOCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCC)O2)n[nH]1	ZINC001130777268	940128418	/nfs/dbraw/zinc/12/84/18/940128418.db2.gz	ZRNVWMHFBPLZCY-LSDHHAIUSA-N	1	0	365.478	1.623	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COC(C)(C)C)n2)O1	ZINC001130777241	940128560	/nfs/dbraw/zinc/12/85/60/940128560.db2.gz	YISNUSJRQVLBLL-QWHCGFSZSA-N	1	0	351.451	1.232	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ncc(C)cc3C)n2)O1	ZINC001130794008	940145012	/nfs/dbraw/zinc/14/50/12/940145012.db2.gz	HOUMXLTYSZQNPF-LSDHHAIUSA-N	1	0	370.457	1.742	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCCC3(C)C)n2)O1	ZINC001130796576	940152550	/nfs/dbraw/zinc/15/25/50/940152550.db2.gz	YNDYQXKTDRKILY-RRFJBIMHSA-N	1	0	359.474	1.690	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H]3C[C@H]3C3CC3)n2)O1	ZINC001130792698	940171417	/nfs/dbraw/zinc/17/14/17/940171417.db2.gz	SGHUBUQIYZVWPK-YHUYYLMFSA-N	1	0	359.474	1.853	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3occc3CC)n2)O1	ZINC001130804230	940174825	/nfs/dbraw/zinc/17/48/25/940174825.db2.gz	AOUPWCYFAVKPPX-LSDHHAIUSA-N	1	0	371.441	1.723	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](CCC)OC)n2)O1	ZINC001130799341	940191023	/nfs/dbraw/zinc/19/10/23/940191023.db2.gz	CFPFHZHWELZFLY-ZNMIVQPWSA-N	1	0	365.478	1.622	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCO)O2)n[nH]1	ZINC001130799724	940194056	/nfs/dbraw/zinc/19/40/56/940194056.db2.gz	VBISAGYWJMCFIX-UONOGXRCSA-N	1	0	365.478	1.215	20	30		FDEDRO
C=CCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCOCC)O2)n[nH]1	ZINC001130802447	940197664	/nfs/dbraw/zinc/19/76/64/940197664.db2.gz	UWXIQWOQPJBJFL-LSDHHAIUSA-N	1	0	365.478	1.623	20	30		FDEDRO
C=CCO[C@H](C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCF)O2)n[nH]1	ZINC001130823388	940203342	/nfs/dbraw/zinc/20/33/42/940203342.db2.gz	QRWMSGYBTQQRCI-HZSPNIEDSA-N	1	0	369.441	1.181	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(CF)cc3)n2)O1	ZINC001130823891	940204158	/nfs/dbraw/zinc/20/41/58/940204158.db2.gz	ZUMJORCOINGURO-JKSUJKDBSA-N	1	0	371.416	1.647	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(F)CCCCC3)n2)O1	ZINC001130813766	940213321	/nfs/dbraw/zinc/21/33/21/940213321.db2.gz	WNXVIQYIBIMCMP-UONOGXRCSA-N	1	0	363.437	1.536	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](CC)CC(C)C)n2)O1	ZINC001130815918	940216649	/nfs/dbraw/zinc/21/66/49/940216649.db2.gz	HABDZULBELGZHJ-OWCLPIDISA-N	1	0	361.490	1.936	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(C)CC(F)(F)C3)n2)O1	ZINC001130815941	940217323	/nfs/dbraw/zinc/21/73/23/940217323.db2.gz	HOSQVESKYTWBFU-NWDGAFQWSA-N	1	0	369.416	1.852	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(C)(C)CCOC)n2)O1	ZINC001130816496	940218642	/nfs/dbraw/zinc/21/86/42/940218642.db2.gz	ZGZGRHCSRWXEMQ-UONOGXRCSA-N	1	0	365.478	1.479	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1c1cncn1C	ZINC001130893740	940289822	/nfs/dbraw/zinc/28/98/22/940289822.db2.gz	NORDMFCZHIUNGI-IAGOWNOFSA-N	1	0	363.506	1.411	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2ccccc2F)C[C@H]1c1cncn1C	ZINC001130894266	940290542	/nfs/dbraw/zinc/29/05/42/940290542.db2.gz	ZWYMMMCUFNRRMY-SJLPKXTDSA-N	1	0	370.428	1.407	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cncs2)C[C@H]1c1cncn1C	ZINC001130922209	940319474	/nfs/dbraw/zinc/31/94/74/940319474.db2.gz	AQCUJQCICUNCGQ-ZIAGYGMSSA-N	1	0	361.471	1.277	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(C)nn2C)C[C@H]1c1cncn1C	ZINC001130922680	940320497	/nfs/dbraw/zinc/32/04/97/940320497.db2.gz	PKEWIYSJSYBZTA-HZPDHXFCSA-N	1	0	356.474	1.626	20	30		FDEDRO
Cn1cncc1[C@@H]1CN(C(=O)CSCC#N)C[C@H]1[NH2+]CCCCCF	ZINC001130920676	940330473	/nfs/dbraw/zinc/33/04/73/940330473.db2.gz	DPWFQVFPJOFZAN-HUUCEWRRSA-N	1	0	367.494	1.701	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@H]1c1cncn1C	ZINC001130921114	940331718	/nfs/dbraw/zinc/33/17/18/940331718.db2.gz	XDZGLNQJKAFXPN-BZUAXINKSA-N	1	0	361.515	1.916	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOCCCC)C1	ZINC001130948285	940346676	/nfs/dbraw/zinc/34/66/76/940346676.db2.gz	DGGHQGOKIVVVPP-IAGOWNOFSA-N	1	0	364.490	1.323	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1	ZINC000807400888	940349993	/nfs/dbraw/zinc/34/99/93/940349993.db2.gz	GQEVVTDEMLBMKC-APWZRJJASA-N	1	0	370.497	1.849	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1c1cncn1C	ZINC001130972781	940383248	/nfs/dbraw/zinc/38/32/48/940383248.db2.gz	AFBKGYSMCDXSGX-HZPDHXFCSA-N	1	0	363.506	1.411	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cn(C)nc2C)C1	ZINC001130978087	940409302	/nfs/dbraw/zinc/40/93/02/940409302.db2.gz	QBUBDQBCYQQYDQ-QZTJIDSGSA-N	1	0	368.485	1.350	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@H](C)c2cnccn2)C1	ZINC001130978030	940409460	/nfs/dbraw/zinc/40/94/60/940409460.db2.gz	NPAVVTRZQXXKGG-JFIYKMOQSA-N	1	0	366.469	1.659	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCCCC)C1	ZINC001130988514	940410374	/nfs/dbraw/zinc/41/03/74/940410374.db2.gz	GHUMKUPCXVULJE-RCCFBDPRSA-N	1	0	360.502	1.923	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCCCF)C1	ZINC001130989258	940411639	/nfs/dbraw/zinc/41/16/39/940411639.db2.gz	ZIWSJEANUXRFLS-IAGOWNOFSA-N	1	0	364.465	1.484	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CNC(=O)NCc2ccc(C)cc2)CC1	ZINC000747404762	940413187	/nfs/dbraw/zinc/41/31/87/940413187.db2.gz	PMYSUTOUVMUTIH-UHFFFAOYSA-N	1	0	356.470	1.398	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccc(F)cn2)C1	ZINC001130991399	940414014	/nfs/dbraw/zinc/41/40/14/940414014.db2.gz	HTWMIQSMKCLZCE-QZTJIDSGSA-N	1	0	369.444	1.698	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@@H]2CCCOC2)C1	ZINC001130991700	940415198	/nfs/dbraw/zinc/41/51/98/940415198.db2.gz	YYMNYYUEBIVNPH-RCCFBDPRSA-N	1	0	358.486	1.390	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2[nH]cnc2C(C)(C)C)C[C@H]1c1cncn1C	ZINC001130994047	940416286	/nfs/dbraw/zinc/41/62/86/940416286.db2.gz	BYIGLJUTMRZETK-HUUCEWRRSA-N	1	0	368.485	1.662	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCOCC(F)F)C[C@H]1c1cncn1C	ZINC001130994157	940416509	/nfs/dbraw/zinc/41/65/09/940416509.db2.gz	JVTNACYMQJDGJK-HUUCEWRRSA-N	1	0	370.444	1.942	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2ccn(CC)n2)C[C@H]1c1cncn1C	ZINC001130994286	940417399	/nfs/dbraw/zinc/41/73/99/940417399.db2.gz	RHKYPHKEJGBXRI-IAGOWNOFSA-N	1	0	356.474	1.339	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1	ZINC001131001790	940428615	/nfs/dbraw/zinc/42/86/15/940428615.db2.gz	OIFUHWFPRQHFEI-ARFHVFGLSA-N	1	0	361.490	1.137	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1c1cncn1C	ZINC001131006230	940432697	/nfs/dbraw/zinc/43/26/97/940432697.db2.gz	RTQLGENYCGNMIE-HZPDHXFCSA-N	1	0	364.465	1.789	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2cnc(C)o2)C[C@H]1c1cncn1C	ZINC001131006294	940433025	/nfs/dbraw/zinc/43/30/25/940433025.db2.gz	WQFJRRWLYXJENB-IAGOWNOFSA-N	1	0	357.458	1.809	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3nccn32)C[C@H]1c1cncn1C	ZINC001131007641	940433724	/nfs/dbraw/zinc/43/37/24/940433724.db2.gz	DMPFJZZEFHBOFI-BRWVUGGUSA-N	1	0	366.469	1.102	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(C)nnn2CC)C[C@H]1c1cncn1C	ZINC001131007696	940434189	/nfs/dbraw/zinc/43/41/89/940434189.db2.gz	GXMQYRUDKMAOGI-HUUCEWRRSA-N	1	0	357.462	1.114	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)C(C)(C)C)C[C@H]1c1cncn1C	ZINC001131014673	940447992	/nfs/dbraw/zinc/44/79/92/940447992.db2.gz	FDEWBOMBUBBMRW-GVDBMIGSSA-N	1	0	360.502	1.636	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1c1cncn1C	ZINC001131014708	940448293	/nfs/dbraw/zinc/44/82/93/940448293.db2.gz	GDAJXCABNOAAFR-HUUCEWRRSA-N	1	0	356.430	1.080	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(F)cn2)C[C@H]1c1cncn1C	ZINC001131020448	940452926	/nfs/dbraw/zinc/45/29/26/940452926.db2.gz	VGXZEOZYRXJLPL-IAGOWNOFSA-N	1	0	355.417	1.104	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccn3ccccc23)C[C@H]1c1cncn1C	ZINC001131028948	940463696	/nfs/dbraw/zinc/46/36/96/940463696.db2.gz	RWCJNZZWAXOQCT-QZTJIDSGSA-N	1	0	361.449	1.894	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH]ncc32)C[C@H]1c1cncn1C	ZINC001131040170	940468120	/nfs/dbraw/zinc/46/81/20/940468120.db2.gz	PYTKAWGJENKNRG-SJLPKXTDSA-N	1	0	362.437	1.518	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2ccon2)C[C@H]1c1cncn1C	ZINC001131031629	940469302	/nfs/dbraw/zinc/46/93/02/940469302.db2.gz	UMCGYXUBUSCURT-IAGOWNOFSA-N	1	0	357.458	1.891	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccn(C(C)C)n2)C[C@H]1c1cncn1C	ZINC001131033102	940470047	/nfs/dbraw/zinc/47/00/47/940470047.db2.gz	HEPPPYSOISNTNX-QZTJIDSGSA-N	1	0	368.485	1.348	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CCOC)C1	ZINC001131057368	940477507	/nfs/dbraw/zinc/47/75/07/940477507.db2.gz	FPDKHQVQQFNVJT-RCCFBDPRSA-N	1	0	358.486	1.556	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2ncccc2OC)C[C@H]1c1cncn1C	ZINC001131055579	940481428	/nfs/dbraw/zinc/48/14/28/940481428.db2.gz	CNXBUOQHWGNWCZ-NVXWUHKLSA-N	1	0	369.469	1.527	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1c1cncn1C	ZINC001131055851	940481832	/nfs/dbraw/zinc/48/18/32/940481832.db2.gz	PCTTVVVIRWVRSF-USXIJHARSA-N	1	0	357.458	1.890	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC(C)C)C1	ZINC001131071958	940485027	/nfs/dbraw/zinc/48/50/27/940485027.db2.gz	GKYTXKGIGMYGMP-MTNOOBJLSA-N	1	0	360.502	1.941	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2noc3c2CCCC3)C[C@H]1c1cncn1C	ZINC001131079849	940487319	/nfs/dbraw/zinc/48/73/19/940487319.db2.gz	YBUUREDONOFTCL-HZPDHXFCSA-N	1	0	367.453	1.508	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccco2)C[C@H]1c1cncn1C	ZINC001131079836	940487349	/nfs/dbraw/zinc/48/73/49/940487349.db2.gz	XOEMVJLPFXDORP-QBPKDAKJSA-N	1	0	352.438	1.724	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)nc2OC)C[C@H]1c1cncn1C	ZINC001131084557	940489402	/nfs/dbraw/zinc/48/94/02/940489402.db2.gz	YWNLVHDBGKOPSE-IAGOWNOFSA-N	1	0	367.453	1.353	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C)O2)C[C@H]1c1cncn1C	ZINC001131076611	940491418	/nfs/dbraw/zinc/49/14/18/940491418.db2.gz	UGORKGXUTGXJCP-YFHUEUNASA-N	1	0	362.474	1.074	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)nn2C)C[C@H]1c1cncn1C	ZINC001131099606	940493861	/nfs/dbraw/zinc/49/38/61/940493861.db2.gz	VYVJJAAABCOWHQ-NVXWUHKLSA-N	1	0	368.485	1.498	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc3nc[nH]c32)C[C@H]1c1cncn1C	ZINC001131093734	940496598	/nfs/dbraw/zinc/49/65/98/940496598.db2.gz	GYSSYIAZPRNCHY-NVXWUHKLSA-N	1	0	362.437	1.518	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC[C@H](C)F)C2)cn1	ZINC001131112619	940499012	/nfs/dbraw/zinc/49/90/12/940499012.db2.gz	IXGIKGQVKUDVDV-BMGDILEWSA-N	1	0	369.444	1.742	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C)cc2=O)C[C@H]1c1cncn1C	ZINC001131103615	940501113	/nfs/dbraw/zinc/50/11/13/940501113.db2.gz	SRYAZOPSRSTUAT-HZPDHXFCSA-N	1	0	355.442	1.191	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C3CC3)cn2)C[C@H]1c1cncn1C	ZINC001131117560	940504253	/nfs/dbraw/zinc/50/42/53/940504253.db2.gz	DHLZCSAMDPZYTI-IEBWSBKVSA-N	1	0	363.465	1.914	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COc2ccccc2C)C[C@H]1c1cncn1C	ZINC001131117721	940504361	/nfs/dbraw/zinc/50/43/61/940504361.db2.gz	OMGMKFOKSLVICA-QZTJIDSGSA-N	1	0	366.465	1.715	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)n(C)c2C)C[C@H]1c1cncn1C	ZINC001131119833	940505644	/nfs/dbraw/zinc/50/56/44/940505644.db2.gz	YOUSDKLGHRICIF-QZTJIDSGSA-N	1	0	353.470	1.597	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CNC(=O)[C@H](C)CC)C[C@H]1c1cncn1C	ZINC001131125385	940507782	/nfs/dbraw/zinc/50/77/82/940507782.db2.gz	BZSSWHSGXHCPRR-BZUAXINKSA-N	1	0	361.490	1.043	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCCOCC)C[C@H]1c1cncn1C	ZINC001131130299	940510959	/nfs/dbraw/zinc/51/09/59/940510959.db2.gz	FVAUZZLAKUDWRE-GVDBMIGSSA-N	1	0	364.490	1.322	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCCC(C)C)C[C@H]1c1cncn1C	ZINC001131132387	940512421	/nfs/dbraw/zinc/51/24/21/940512421.db2.gz	IBPNXRPDHSTQMK-RCCFBDPRSA-N	1	0	360.502	1.779	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CSC)C1	ZINC001131297729	940544904	/nfs/dbraw/zinc/54/49/04/940544904.db2.gz	KIDJCGDQPVOTSN-KFWWJZLASA-N	1	0	353.488	1.422	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCCC(C)=O)C1	ZINC001131301307	940547118	/nfs/dbraw/zinc/54/71/18/940547118.db2.gz	RILNUUIBZIMYNQ-ZACQAIPSSA-N	1	0	363.458	1.428	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC(C)(C)O)C1	ZINC001131304982	940548378	/nfs/dbraw/zinc/54/83/78/940548378.db2.gz	ZDBKDAJANWEDRW-XHSDSOJGSA-N	1	0	365.474	1.220	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](C(C)C)C[C@H]32)C1	ZINC001131304978	940548385	/nfs/dbraw/zinc/54/83/85/940548385.db2.gz	YZEDHKDVXCBNIR-ZACQAIPSSA-N	1	0	365.474	1.484	20	30		FDEDRO
CC(C)C#CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCC4CC4)C[C@H]32)C1	ZINC001131307481	940549268	/nfs/dbraw/zinc/54/92/68/940549268.db2.gz	VAEAXDQELSMQKB-KSZLIROESA-N	1	0	359.470	1.552	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2=COCCO2)CC1	ZINC001131410690	940565941	/nfs/dbraw/zinc/56/59/41/940565941.db2.gz	JKBZOSSBULFULW-AEFFLSMTSA-N	1	0	366.458	1.063	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C=C(C)C)CC1	ZINC001131411359	940566110	/nfs/dbraw/zinc/56/61/10/940566110.db2.gz	QXGVUDPIMRAFMG-WDYCEAGBSA-N	1	0	361.486	1.076	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)SC)CC1	ZINC001131429425	940567297	/nfs/dbraw/zinc/56/72/97/940567297.db2.gz	DYWSVSFZXLKIKI-UNEWFSDZSA-N	1	0	369.531	1.026	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCCC)CC1	ZINC001131444978	940593239	/nfs/dbraw/zinc/59/32/39/940593239.db2.gz	DGNYJMGBWBZKLX-MJGOQNOKSA-N	1	0	354.491	1.601	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cc1	ZINC000808765866	940593807	/nfs/dbraw/zinc/59/38/07/940593807.db2.gz	LLRGQOXRARGCSO-QAPCUYQASA-N	1	0	363.483	1.385	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)OC)CC1	ZINC001131436797	940599951	/nfs/dbraw/zinc/59/99/51/940599951.db2.gz	BOBVEJQNHVFRBS-KYJSFNMBSA-N	1	0	367.490	1.683	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCCO2)CC1	ZINC001131476199	940619214	/nfs/dbraw/zinc/61/92/14/940619214.db2.gz	VWKHTMSFJDVYOM-QRVBRYPASA-N	1	0	366.502	1.744	20	30		FDEDRO
CO[C@@H](C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1	ZINC001131470845	940626502	/nfs/dbraw/zinc/62/65/02/940626502.db2.gz	WJRVUTXETHSYKB-XCRHUMRWSA-N	1	0	360.458	1.521	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC2(C)C)CC1	ZINC001131473078	940628049	/nfs/dbraw/zinc/62/80/49/940628049.db2.gz	MEHYYDUJYASZGZ-NUJGCVRESA-N	1	0	363.502	1.320	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)NCC1CC[NH+](CCC(C)C)CC1)[C@@H]1CCCO1	ZINC000808837793	940633807	/nfs/dbraw/zinc/63/38/07/940633807.db2.gz	CFKMBMSSDKDNFJ-MSOLQXFVSA-N	1	0	363.502	1.158	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C	ZINC000747533032	940637788	/nfs/dbraw/zinc/63/77/88/940637788.db2.gz	HRVKVKRUORTGHL-UHFFFAOYSA-N	1	0	356.467	1.481	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnnn2CC)CC1	ZINC001131490880	940640750	/nfs/dbraw/zinc/64/07/50/940640750.db2.gz	FSPJHVOYWOLQSB-AEFFLSMTSA-N	1	0	361.490	1.864	20	30		FDEDRO
O=C(C#CC1CC1)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOC2CCC2)CC1	ZINC001131493440	940644081	/nfs/dbraw/zinc/64/40/81/940644081.db2.gz	BYUFIAKKFZSUNO-CTNGQTDRSA-N	1	0	360.498	1.955	20	30		FDEDRO
CCN(C)C(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C#CC(C)C)CC1	ZINC001131493456	940644299	/nfs/dbraw/zinc/64/42/99/940644299.db2.gz	CRLVOPRHUNUIRC-XLIONFOSSA-N	1	0	363.502	1.110	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCOCC(F)F)CC1	ZINC001131498721	940648723	/nfs/dbraw/zinc/64/87/23/940648723.db2.gz	KPGSPWSFFJQLJA-QAPCUYQASA-N	1	0	358.429	1.667	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccc3n[nH]nc32)CC1	ZINC001131502637	940653235	/nfs/dbraw/zinc/65/32/35/940653235.db2.gz	HYTYXTDCDJWLDB-MJGOQNOKSA-N	1	0	367.453	1.581	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)c1ccncc1	ZINC000805806546	945338229	/nfs/dbraw/zinc/33/82/29/945338229.db2.gz	QNUVWSJXYRLYGG-SFHVURJKSA-N	1	0	374.485	1.120	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2cn(C)nc2C)CC1	ZINC001131515669	940681385	/nfs/dbraw/zinc/68/13/85/940681385.db2.gz	XPSBGMRKRTVXCA-QUCCMNQESA-N	1	0	358.486	1.280	20	30		FDEDRO
CN(CCC(=O)N1CCC([C@@H]2OCC[C@H]2NCC#N)CC1)c1cc[nH+]cc1	ZINC001131522546	940706006	/nfs/dbraw/zinc/70/60/06/940706006.db2.gz	MSBWKJZAUMXWMY-QUCCMNQESA-N	1	0	371.485	1.417	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2COCCN2CC)CC1	ZINC001131522493	940706041	/nfs/dbraw/zinc/70/60/41/940706041.db2.gz	KONUACIKBLLIMZ-QYZOEREBSA-N	1	0	365.518	1.269	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2Cc3ccccc3O2)CC1	ZINC001131526304	940711236	/nfs/dbraw/zinc/71/12/36/940711236.db2.gz	KWUUPMGINZUZGZ-NRSPTQNISA-N	1	0	368.477	1.999	20	30		FDEDRO
CCC[C@@H](OC)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC#CCOC)CC1	ZINC001131541201	940714894	/nfs/dbraw/zinc/71/48/94/940714894.db2.gz	DAOTUOBKHCSHMD-QRVBRYPASA-N	1	0	366.502	1.437	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)CC(N)=O)CC1	ZINC001131541272	940715204	/nfs/dbraw/zinc/71/52/04/940715204.db2.gz	GOPVHULTQYOEFS-PEYYIBSZSA-N	1	0	357.882	1.236	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H]2CCC(=O)N2C)CC1	ZINC001131538011	940725976	/nfs/dbraw/zinc/72/59/76/940725976.db2.gz	DHRPIAAIMYZALF-HLIPFELVSA-N	1	0	361.486	1.006	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn(C)c(=O)[nH]2)CC1	ZINC001131555627	940730576	/nfs/dbraw/zinc/73/05/76/940730576.db2.gz	OHPKNFHWRJTZHF-WBVHZDCISA-N	1	0	362.474	1.691	20	30		FDEDRO
C=CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cnnn2C)CC1	ZINC001131555541	940730716	/nfs/dbraw/zinc/73/07/16/940730716.db2.gz	KNAFHAPRFAVEEA-MJGOQNOKSA-N	1	0	361.490	1.657	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N(C)C)CC1	ZINC001131557987	940732456	/nfs/dbraw/zinc/73/24/56/940732456.db2.gz	AMWCRBWYSSCFPC-KPFFTGBYSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c(C)csc3n2)C1	ZINC001195214790	970769907	/nfs/dbraw/zinc/76/99/07/970769907.db2.gz	MZONKHRFDYZXQQ-APHBMKBZSA-N	1	0	362.499	1.763	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)Oc2cccnc2)CC1	ZINC001131562328	940735915	/nfs/dbraw/zinc/73/59/15/940735915.db2.gz	PIRPMJRZJZXWPT-DBVUQKKJSA-N	1	0	371.481	1.858	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2ccnc(OC)c2)CC1	ZINC001131570482	940746140	/nfs/dbraw/zinc/74/61/40/940746140.db2.gz	ISNUIVVDVBEKFN-NQIIRXRSSA-N	1	0	371.481	1.642	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NCC)CC1	ZINC001131573447	940749444	/nfs/dbraw/zinc/74/94/44/940749444.db2.gz	YGRHTRMZMCNJTE-AEFFLSMTSA-N	1	0	365.518	1.711	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)OCCOC)CC1	ZINC001131578455	940755673	/nfs/dbraw/zinc/75/56/73/940755673.db2.gz	YKHRHWADDSGCAB-NXHRZFHOSA-N	1	0	352.475	1.047	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCN2CCCC2=O)CC1	ZINC001131604797	940774209	/nfs/dbraw/zinc/77/42/09/940774209.db2.gz	HHQKROMOKVJKMY-XLIONFOSSA-N	1	0	361.486	1.008	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)OCCOCC)CC1	ZINC001131606770	940776563	/nfs/dbraw/zinc/77/65/63/940776563.db2.gz	FSNSOQOPEMMSKQ-QRQLOZEOSA-N	1	0	366.502	1.437	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cncnc2C2CC2)CC1	ZINC001131600046	940783894	/nfs/dbraw/zinc/78/38/94/940783894.db2.gz	VDSRNGAVHXFJDB-QUCCMNQESA-N	1	0	368.481	1.977	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H](O)c2ccc(Cl)cc2)nc1	ZINC000809204061	940784363	/nfs/dbraw/zinc/78/43/63/940784363.db2.gz	NIUCCTPEANYAFH-HNNXBMFYSA-N	1	0	365.842	1.704	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c(C)noc2C)CC1	ZINC001131601333	940785098	/nfs/dbraw/zinc/78/50/98/940785098.db2.gz	BREAMURPKOFJIX-QUCCMNQESA-N	1	0	359.470	1.843	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)C2CCC2)CC1	ZINC001131609011	940788999	/nfs/dbraw/zinc/78/89/99/940788999.db2.gz	UXOUOVOWZKRWFN-MJGOQNOKSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCOCCOC)CC1	ZINC001131610458	940790229	/nfs/dbraw/zinc/79/02/29/940790229.db2.gz	RBHKNKJCOJNURQ-QUCCMNQESA-N	1	0	368.518	1.991	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)c2cnn(C)c2)CC1	ZINC001131621050	940796414	/nfs/dbraw/zinc/79/64/14/940796414.db2.gz	OWIJCNKVEJQGQY-LZQZEXGQSA-N	1	0	358.486	1.533	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)[C@H]1CCCO1	ZINC000809305341	940810294	/nfs/dbraw/zinc/81/02/94/940810294.db2.gz	BOQQADXOBMZQQD-RBUKOAKNSA-N	1	0	369.465	1.018	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)[C@H]1CCCO1	ZINC000809309017	940812707	/nfs/dbraw/zinc/81/27/07/940812707.db2.gz	KVTKCFOZDGXGFM-QZTJIDSGSA-N	1	0	357.454	1.004	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@](C)(O)CNC(=O)OC(C)(C)C	ZINC000809966650	940926903	/nfs/dbraw/zinc/92/69/03/940926903.db2.gz	JUVLRMQTIQSUDI-QGZVFWFLSA-N	1	0	366.466	1.004	20	30		FDEDRO
CC(C)n1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1	ZINC001086676856	940949388	/nfs/dbraw/zinc/94/93/88/940949388.db2.gz	YERCALAZSXZYSB-GXTWGEPZSA-N	1	0	356.434	1.142	20	30		FDEDRO
CN1CCOC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001086676967	940953424	/nfs/dbraw/zinc/95/34/24/940953424.db2.gz	CMHCVHRYNKWKCL-IPMKNSEASA-N	1	0	356.470	1.263	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)OCC(=O)NCc2cccc(C#N)c2)C1	ZINC000811444507	941132837	/nfs/dbraw/zinc/13/28/37/941132837.db2.gz	DVPLEYMXXWQRPL-LJQANCHMSA-N	1	0	361.417	1.930	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NS(=O)(=O)c3cncc(C#N)c3)cc2)CC1	ZINC000811823501	941168191	/nfs/dbraw/zinc/16/81/91/941168191.db2.gz	YZAVZQNGPIPWKX-UHFFFAOYSA-N	1	0	371.466	1.896	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](CCO)CCOCC2CC2)CC1	ZINC001098482444	941177697	/nfs/dbraw/zinc/17/76/97/941177697.db2.gz	GXXOJFZIRBLDLU-MOPGFXCFSA-N	1	0	366.502	1.289	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)C[C@@H]2C1	ZINC000812339480	941195861	/nfs/dbraw/zinc/19/58/61/941195861.db2.gz	AAOIZWKNOPFNKI-ZBFHGGJFSA-N	1	0	350.426	1.350	20	30		FDEDRO
COC(=O)/C=C1/SCC(=O)N1CCC[N@H+](C)Cc1ccc(C#N)cc1	ZINC000747811178	941267908	/nfs/dbraw/zinc/26/79/08/941267908.db2.gz	CBQQIGOSXLVITK-LICLKQGHSA-N	1	0	359.451	1.970	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)CC1	ZINC000747818371	941273510	/nfs/dbraw/zinc/27/35/10/941273510.db2.gz	NHQPVNWIFVAVBH-YJBOKZPZSA-N	1	0	369.465	1.476	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)CC1	ZINC000747822667	941283791	/nfs/dbraw/zinc/28/37/91/941283791.db2.gz	BUPLMEVAONJOAE-KRWDZBQOSA-N	1	0	355.482	1.942	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NCc1ccccc1F	ZINC001134054690	941531519	/nfs/dbraw/zinc/53/15/19/941531519.db2.gz	PMBSDYGJCDWVDI-LXZKKBNFSA-N	1	0	363.433	1.127	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21	ZINC000814107768	941551494	/nfs/dbraw/zinc/55/14/94/941551494.db2.gz	SUCBRUYWBUEFQF-ZSHCYNCHSA-N	1	0	364.490	1.793	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]C[C@H]2CCc3ncnn32)C1	ZINC001086718211	941581982	/nfs/dbraw/zinc/58/19/82/941581982.db2.gz	MSSUXCYIQWKPAO-GVDBMIGSSA-N	1	0	368.485	1.941	20	30		FDEDRO
C#CC[N@H+](C)CCCNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-]	ZINC000814929969	941740299	/nfs/dbraw/zinc/74/02/99/941740299.db2.gz	QTEQTGKBPRKTRV-UHFFFAOYSA-N	1	0	360.414	1.434	20	30		FDEDRO
C#CCNC(=O)CC[N@@H+](C)CC(=O)NC(c1ccccc1)c1ccccc1	ZINC000815121481	941781183	/nfs/dbraw/zinc/78/11/83/941781183.db2.gz	VCNQLHQHASLYFB-UHFFFAOYSA-N	1	0	363.461	1.964	20	30		FDEDRO
C#CCNC(=O)CC[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1	ZINC000815099729	941783726	/nfs/dbraw/zinc/78/37/26/941783726.db2.gz	DRDOGEQCIOKCKN-UHFFFAOYSA-N	1	0	361.393	1.209	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1ccc(C)s1	ZINC001135035977	941869019	/nfs/dbraw/zinc/86/90/19/941869019.db2.gz	WNRXWGSKCMJRGI-HUUCEWRRSA-N	1	0	362.499	1.628	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1ccccc1F	ZINC001135039120	941870885	/nfs/dbraw/zinc/87/08/85/941870885.db2.gz	FZYUSLTWXGBBMP-DLBZAZTESA-N	1	0	359.445	1.836	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]Cc1cc(=O)[nH]c(C2CC2)n1	ZINC001135064996	941881577	/nfs/dbraw/zinc/88/15/77/941881577.db2.gz	QSZAIMDJFMEFIY-RDJZCZTQSA-N	1	0	360.458	1.637	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(CC)CC	ZINC001135067573	941883273	/nfs/dbraw/zinc/88/32/73/941883273.db2.gz	BCULIBWKPGLATF-XIRDDKMYSA-N	1	0	353.507	1.757	20	30		FDEDRO
CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)Nc1ccc(C#N)cn1	ZINC000815594531	941914652	/nfs/dbraw/zinc/91/46/52/941914652.db2.gz	RLIXHQXMYSYADF-UHFFFAOYSA-N	1	0	351.410	1.612	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc2c(c1)CCC(=O)N2C	ZINC001135142050	941927263	/nfs/dbraw/zinc/92/72/63/941927263.db2.gz	DHQHEFWKSLAVRG-PXNSSMCTSA-N	1	0	371.481	1.783	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(S(C)(=O)=O)cc1	ZINC001135142354	941927773	/nfs/dbraw/zinc/92/77/73/941927773.db2.gz	QNBTYGMHBNEZOP-IRXDYDNUSA-N	1	0	366.483	1.277	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NCC1CCCCC1	ZINC001135145171	941928730	/nfs/dbraw/zinc/92/87/30/941928730.db2.gz	ADQZDXIWKWJSFE-NJAFHUGGSA-N	1	0	365.518	1.758	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC1CCCCC1	ZINC001135145509	941929093	/nfs/dbraw/zinc/92/90/93/941929093.db2.gz	LSTPOGKQCFURMN-WMZOPIPTSA-N	1	0	351.491	1.370	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N(C1CC1)C1CCCC1	ZINC001135145814	941929454	/nfs/dbraw/zinc/92/94/54/941929454.db2.gz	UYDJBHNNUDCHOB-HKUYNNGSSA-N	1	0	363.502	1.607	20	30		FDEDRO
C#CCN(C)CCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C	ZINC000815652674	941933496	/nfs/dbraw/zinc/93/34/96/941933496.db2.gz	MVFUJEOEXSGVEW-BRWVUGGUSA-N	1	0	353.507	1.849	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1cccc(C)c1C	ZINC001135147140	941942217	/nfs/dbraw/zinc/94/22/17/941942217.db2.gz	AOWHKIURTGYCEN-LPHOPBHVSA-N	1	0	359.470	1.929	20	30		FDEDRO
C=CCOc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H]3CCN(C)C3=O)C2)cc1	ZINC001086735859	942104220	/nfs/dbraw/zinc/10/42/20/942104220.db2.gz	QZMHSMXFVRBCJS-WDYCEAGBSA-N	1	0	371.481	1.970	20	30		FDEDRO
C=CC[C@H](CO)[NH2+]C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1	ZINC000816569463	942264615	/nfs/dbraw/zinc/26/46/15/942264615.db2.gz	MVBBAJGYNQXDPU-LSDHHAIUSA-N	1	0	355.479	1.276	20	30		FDEDRO
COc1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)nn1C	ZINC001086752684	942301553	/nfs/dbraw/zinc/30/15/53/942301553.db2.gz	BKKAPBLHEYHWLH-DLBZAZTESA-N	1	0	367.453	1.989	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=O)N1CCCC1	ZINC001170841081	942322152	/nfs/dbraw/zinc/32/21/52/942322152.db2.gz	GGKOOSJTCFIEIZ-KURKYZTESA-N	1	0	365.518	1.855	20	30		FDEDRO
C[NH+](C)CCn1ncc(C(=O)N[C@H]2CCCN(O)C2=O)c1-c1ccccc1	ZINC000816757419	942336983	/nfs/dbraw/zinc/33/69/83/942336983.db2.gz	RQWVAGCKHDGTKM-INIZCTEOSA-N	1	0	371.441	1.222	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1OCC[C@H]1C(C)C	ZINC001170842734	942340607	/nfs/dbraw/zinc/34/06/07/942340607.db2.gz	UPPJDOMLUNASPL-RYRKJORJSA-N	1	0	351.491	1.062	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1O	ZINC001195333654	970902413	/nfs/dbraw/zinc/90/24/13/970902413.db2.gz	LTXVXNBAMGEEGT-QZTJIDSGSA-N	1	0	354.454	1.746	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3CCF)C2)cc1	ZINC001086773758	942461484	/nfs/dbraw/zinc/46/14/84/942461484.db2.gz	DJAFJLYOPJBXRS-FUHWJXTLSA-N	1	0	369.444	1.917	20	30		FDEDRO
CN1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)C1=O	ZINC001086781703	942485230	/nfs/dbraw/zinc/48/52/30/942485230.db2.gz	YRXWKVDUCBEXPU-QGTPRVQTSA-N	1	0	354.454	1.411	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=O)NC(C)C	ZINC001170853121	942486016	/nfs/dbraw/zinc/48/60/16/942486016.db2.gz	NJAUPWOULYYSHY-ZACQAIPSSA-N	1	0	353.507	1.757	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(=O)cn3)C2)c(F)c1	ZINC001086788657	942525084	/nfs/dbraw/zinc/52/50/84/942525084.db2.gz	YHSCTYSIWBHFOW-DZGCQCFKSA-N	1	0	369.400	1.469	20	30		FDEDRO
C#C[C@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)C1CCOCC1	ZINC000856109514	970915750	/nfs/dbraw/zinc/91/57/50/970915750.db2.gz	QZJLRWAMRFAXGO-SFHVURJKSA-N	1	0	356.470	1.138	20	30		FDEDRO
N#CCc1ccccc1CC(=O)NCC(=O)NCC[NH+]1CCCCCC1	ZINC000817157723	942593976	/nfs/dbraw/zinc/59/39/76/942593976.db2.gz	LMBAIOMZFHCQFA-UHFFFAOYSA-N	1	0	356.470	1.404	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc(C4CC4)[nH]3)C2)c1	ZINC001086798617	942636211	/nfs/dbraw/zinc/63/62/11/942636211.db2.gz	XGYLSFNUOYHUHG-WMLDXEAASA-N	1	0	364.453	1.747	20	30		FDEDRO
N#CC1(C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)CCOCC1	ZINC000109140409	942783300	/nfs/dbraw/zinc/78/33/00/942783300.db2.gz	PWVAAZNXXUGQIV-UHFFFAOYSA-N	1	0	370.453	1.643	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnc(C(C)C)[nH]2)C1	ZINC001086806364	942804269	/nfs/dbraw/zinc/80/42/69/942804269.db2.gz	PPGLGZIOKWKEHV-JJXSEGSLSA-N	1	0	361.490	1.894	20	30		FDEDRO
CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N	ZINC000817779881	942947451	/nfs/dbraw/zinc/94/74/51/942947451.db2.gz	HBAGZZWKSKBZKE-KKUMJFAQSA-N	1	0	365.478	1.481	20	30		FDEDRO
Cc1cc(C#N)cc(C(=O)n2cc(Br)ccc2=NCC[NH3+])c1	ZINC001195436849	970965186	/nfs/dbraw/zinc/96/51/86/970965186.db2.gz	GVHNBTPINOPAAM-UHFFFAOYSA-N	1	0	359.227	1.979	20	30		FDEDRO
CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2[NH3+])c1	ZINC000818082700	943156058	/nfs/dbraw/zinc/15/60/58/943156058.db2.gz	QMXHIZCPVLQKNK-OAZZHIDZSA-N	1	0	364.471	1.565	20	30		FDEDRO
C[C@@H](C[NH3+])C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1	ZINC000818465374	943269182	/nfs/dbraw/zinc/26/91/82/943269182.db2.gz	HAZNGBYJWZKYAN-BPHPCYGNSA-N	1	0	366.487	1.813	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)ccc1F	ZINC000818563515	943286123	/nfs/dbraw/zinc/28/61/23/943286123.db2.gz	ODKROCGHNKUVMC-RYUDHWBXSA-N	1	0	355.435	1.099	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1	ZINC000818589331	943296133	/nfs/dbraw/zinc/29/61/33/943296133.db2.gz	WWPBOBWVIBKULI-MRXNPFEDSA-N	1	0	361.873	1.760	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc(C)[nH]3)C2)cc1	ZINC001086821860	943317292	/nfs/dbraw/zinc/31/72/92/943317292.db2.gz	DVZLXEIJZXMEJP-DOTOQJQBSA-N	1	0	367.453	1.813	20	30		FDEDRO
C=C[C@H]1C[C@]1(Nc1nc(N2CCC(C[NH3+])CC2)ncc1C)C(=O)OCC	ZINC001170914509	943339528	/nfs/dbraw/zinc/33/95/28/943339528.db2.gz	HNQTTZKVVIOQQA-HNAYVOBHSA-N	1	0	359.474	1.880	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2cccnc2-n2ccnc2)cc1	ZINC000818947141	943358151	/nfs/dbraw/zinc/35/81/51/943358151.db2.gz	JMFHOZBVCHZNMZ-GOSISDBHSA-N	1	0	363.421	1.863	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[NH2+]CCNS(=O)(=O)Cc2ccccc2)cc1	ZINC000818958417	943364855	/nfs/dbraw/zinc/36/48/55/943364855.db2.gz	MCPSNHLRUYPEQL-GOSISDBHSA-N	1	0	359.451	1.301	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]CCS(=O)(=O)Cc2ccccc2)cc1	ZINC000818977494	943367190	/nfs/dbraw/zinc/36/71/90/943367190.db2.gz	XDZUQKYSJZQRMW-GOSISDBHSA-N	1	0	374.462	1.503	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nc(C)oc3C)C2)nn1	ZINC001086823751	943369289	/nfs/dbraw/zinc/36/92/89/943369289.db2.gz	TVTMZLBGAVWABT-LSDHHAIUSA-N	1	0	358.446	1.757	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@@H]3CC(C)(C)CO3)C2)nn1	ZINC001086823825	943370443	/nfs/dbraw/zinc/37/04/43/943370443.db2.gz	YLKALARZHGHOQN-XHSDSOJGSA-N	1	0	361.490	1.767	20	30		FDEDRO
N#CCOc1ccc(C[NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)cc1	ZINC000819010577	943383404	/nfs/dbraw/zinc/38/34/04/943383404.db2.gz	DPAKDKDJRJUGIM-OAHLLOKOSA-N	1	0	365.389	1.336	20	30		FDEDRO
O=C(NCC[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)C1N=CC=CC1=O	ZINC000819050298	943395656	/nfs/dbraw/zinc/39/56/56/943395656.db2.gz	REMVZTPTXJPMKQ-HDUPEWFZSA-N	1	0	369.343	1.855	20	30		FDEDRO
CCc1cccc(OC[C@H](O)C[NH2+]CCNC(=O)C2N=CC=CC2=O)c1	ZINC000819055825	943397329	/nfs/dbraw/zinc/39/73/29/943397329.db2.gz	XZCQJIKNGMFSKU-AMGRQBIBSA-N	1	0	359.426	1.105	20	30		FDEDRO
C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+]C[C@H](O)c1ccc(C#N)cc1	ZINC000819080173	943411859	/nfs/dbraw/zinc/41/18/59/943411859.db2.gz	DLMSNITUPXYQBO-XLIONFOSSA-N	1	0	365.481	1.787	20	30		FDEDRO
C[C@@H](C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)CC1(C)OCCO1	ZINC000819096832	943418320	/nfs/dbraw/zinc/41/83/20/943418320.db2.gz	VGSXSOXVSOKPRS-CQSZACIVSA-N	1	0	352.456	1.711	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)cc1	ZINC000819062650	943425637	/nfs/dbraw/zinc/42/56/37/943425637.db2.gz	RROFCZMRILKODR-UYAOXDASSA-N	1	0	359.470	1.531	20	30		FDEDRO
C#CCOc1ccccc1C[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1	ZINC000819072655	943429622	/nfs/dbraw/zinc/42/96/22/943429622.db2.gz	MIWDGMLYJPYWEF-SFHVURJKSA-N	1	0	359.447	1.925	20	30		FDEDRO
C=CC[C@H]([NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O)c1ccncc1	ZINC000819074930	943430295	/nfs/dbraw/zinc/43/02/95/943430295.db2.gz	WOFUCPFPZWMMGY-QAPCUYQASA-N	1	0	351.406	1.946	20	30		FDEDRO
COc1ccc(CN2CC[C@H]([NH2+]C[C@H](O)c3ccc(C#N)cc3)C2=O)cc1	ZINC000819077274	943432287	/nfs/dbraw/zinc/43/22/87/943432287.db2.gz	JZUHSVIQTTVRFG-PMACEKPBSA-N	1	0	365.433	1.991	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1	ZINC000819224498	943496594	/nfs/dbraw/zinc/49/65/94/943496594.db2.gz	GICZNBOFTZWWRL-VQIMIIECSA-N	1	0	368.522	1.820	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]Cc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1	ZINC000819296699	943508070	/nfs/dbraw/zinc/50/80/70/943508070.db2.gz	CTBMPWZHFZADDC-HXUWFJFHSA-N	1	0	368.437	1.141	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3c(C)n[nH]c3C)C2)C1=O	ZINC001086830647	943721382	/nfs/dbraw/zinc/72/13/82/943721382.db2.gz	NOCQZSYRECIILD-ARFHVFGLSA-N	1	0	359.474	1.302	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cnn(CC)c2Br)CC1	ZINC000820198070	943946135	/nfs/dbraw/zinc/94/61/35/943946135.db2.gz	WOFKQQWTNIFYEC-UHFFFAOYSA-N	1	0	353.264	1.883	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cccc(N(C)C)c2)C1	ZINC001195581381	971052295	/nfs/dbraw/zinc/05/22/95/971052295.db2.gz	QRECZKPOZIDHFL-RTBURBONSA-N	1	0	361.486	1.049	20	30		FDEDRO
C#C[C@@H](CCC)NC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	ZINC000820633916	944131621	/nfs/dbraw/zinc/13/16/21/944131621.db2.gz	AEJBGFUANHRWQB-SFHVURJKSA-N	1	0	362.518	1.812	20	30		FDEDRO
CON=C(C(=O)N1CCC(OCCC[NH+](C)C)CC1)c1csc(N)n1	ZINC000820608520	944143652	/nfs/dbraw/zinc/14/36/52/944143652.db2.gz	JKXVKPLHXKRCGG-UHFFFAOYSA-N	1	0	369.491	1.035	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)NCCN(C)CCC[NH+](C)C	ZINC000821331503	944424114	/nfs/dbraw/zinc/42/41/14/944424114.db2.gz	VVZIHPXEHNWOHY-UHFFFAOYSA-N	1	0	350.438	1.843	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3cnc(C)n3C2)C1	ZINC001195640702	971105078	/nfs/dbraw/zinc/10/50/78/971105078.db2.gz	LEPPFAINCAONOI-QXAKKESOSA-N	1	0	362.518	1.886	20	30		FDEDRO
CON=C(C(=O)N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1)c1csc(N)n1	ZINC000821895377	944732773	/nfs/dbraw/zinc/73/27/73/944732773.db2.gz	UVWQTFDMJHCKDD-RYUDHWBXSA-N	1	0	369.516	1.114	20	30		FDEDRO
C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)[C@@H](O)c1ccc(C#N)cc1	ZINC000856411355	971130307	/nfs/dbraw/zinc/13/03/07/971130307.db2.gz	UYWYBFXCMTYFEQ-MSOLQXFVSA-N	1	0	357.454	1.693	20	30		FDEDRO
CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)NCC#CC[NH+](C)C	ZINC001170986025	944957204	/nfs/dbraw/zinc/95/72/04/944957204.db2.gz	XLATXIXDMQPPEM-KRWDZBQOSA-N	1	0	361.511	1.148	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccncc1	ZINC000805816202	945533912	/nfs/dbraw/zinc/53/39/12/945533912.db2.gz	VRZDGFZJVJKUAI-BZSNNMDCSA-N	1	0	356.470	1.758	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1	ZINC000823418845	945762919	/nfs/dbraw/zinc/76/29/19/945762919.db2.gz	KOIGGXDPTDQWCJ-JXFKEZNVSA-N	1	0	361.486	1.705	20	30		FDEDRO
CC[C@H](C(=O)N[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H]1C)[NH+](C)C	ZINC001090742166	946098232	/nfs/dbraw/zinc/09/82/32/946098232.db2.gz	CWYPIVGGUAGWHR-YUSALJHKSA-N	1	0	355.895	1.949	20	30		FDEDRO
CCn1cc(CC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)nn1	ZINC000824115080	946241134	/nfs/dbraw/zinc/24/11/34/946241134.db2.gz	IRQSIMPJRAAKTN-UHFFFAOYSA-N	1	0	352.442	1.493	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CC[C@H](C#N)C3)cc2)CC1	ZINC000824630359	946606957	/nfs/dbraw/zinc/60/69/57/946606957.db2.gz	ACKJXCPFPLMZHX-DOTOQJQBSA-N	1	0	369.469	1.575	20	30		FDEDRO
C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)C2	ZINC001573282683	946695648	/nfs/dbraw/zinc/69/56/48/946695648.db2.gz	LIKVFQTXSMDIDF-SFHVURJKSA-N	1	0	353.430	1.146	20	30		FDEDRO
C#CCCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573283154	946709366	/nfs/dbraw/zinc/70/93/66/946709366.db2.gz	FLNKJJABKJJPRN-KRWDZBQOSA-N	1	0	352.442	1.751	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[NH2+][C@@H](C(C)C)C2)s1	ZINC000824779722	946750693	/nfs/dbraw/zinc/75/06/93/946750693.db2.gz	TUSAQHUEFZJYGN-CQSZACIVSA-N	1	0	371.528	1.211	20	30		FDEDRO
C#CCCCC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F	ZINC001573284543	946750827	/nfs/dbraw/zinc/75/08/27/946750827.db2.gz	GDOVJXFWTDNWJU-ZDUSSCGKSA-N	1	0	358.421	1.746	20	30		FDEDRO
C#CCCCC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1	ZINC001573284760	946756817	/nfs/dbraw/zinc/75/68/17/946756817.db2.gz	LBHVXSWOXBTCAC-CYBMUJFWSA-N	1	0	374.470	1.049	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@H](C)CC[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573285782	946787102	/nfs/dbraw/zinc/78/71/02/946787102.db2.gz	NIZOHVXVRGDYEJ-OLZOCXBDSA-N	1	0	374.420	1.029	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CCCCNc1c[nH]c2nc(C(=O)OC)cc-2c1	ZINC001171069876	946815204	/nfs/dbraw/zinc/81/52/04/946815204.db2.gz	QIOBMRPYVGPYFL-AWEZNQCLSA-N	1	0	360.414	1.988	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H](CC)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573291562	946921254	/nfs/dbraw/zinc/92/12/54/946921254.db2.gz	FWRZDJWTKKPNQD-JTQLQIEISA-N	1	0	368.239	1.201	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H](C)[C@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001573291538	946921921	/nfs/dbraw/zinc/92/19/21/946921921.db2.gz	FQDGCDZUMXSVCX-IUCAKERBSA-N	1	0	368.239	1.200	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C(C)(C)C1	ZINC001573560917	946958640	/nfs/dbraw/zinc/95/86/40/946958640.db2.gz	HZZWHLYTBSDYJF-XHDPSFHLSA-N	1	0	371.420	1.492	20	30		FDEDRO
C=C(C)CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1	ZINC001573293803	946967016	/nfs/dbraw/zinc/96/70/16/946967016.db2.gz	JZKBXSZGLWCYNS-KGLIPLIRSA-N	1	0	357.462	1.991	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573564463	946992466	/nfs/dbraw/zinc/99/24/66/946992466.db2.gz	JALRKDSFEDKKHP-AAEUAGOBSA-N	1	0	357.393	1.198	20	30		FDEDRO
C#CCCOc1ccc(CN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)cc1	ZINC000825147744	946995075	/nfs/dbraw/zinc/99/50/75/946995075.db2.gz	LANAMPYBEKOOIT-LJQANCHMSA-N	1	0	355.482	1.875	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC([N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)CC1	ZINC001573565391	947008063	/nfs/dbraw/zinc/00/80/63/947008063.db2.gz	QRTHOYUBVZWDNO-LLVKDONJSA-N	1	0	359.459	1.511	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573566732	947031603	/nfs/dbraw/zinc/03/16/03/947031603.db2.gz	GFEVXLZYVRWAFN-CHWSQXEVSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573568140	947067382	/nfs/dbraw/zinc/06/73/82/947067382.db2.gz	YHHSUXYDFWATAR-COXVUDFISA-N	1	0	365.441	1.592	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@](C)(C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CC1	ZINC001573569543	947074566	/nfs/dbraw/zinc/07/45/66/947074566.db2.gz	AWJJGGXDWYVSNW-QLJPJBMISA-N	1	0	359.459	1.462	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573570013	947080542	/nfs/dbraw/zinc/08/05/42/947080542.db2.gz	HYKPZMUJSLTDFW-UEKVPHQBSA-N	1	0	357.393	1.102	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(C)(C)C	ZINC001573572263	947110445	/nfs/dbraw/zinc/11/04/45/947110445.db2.gz	GLIWJBZLZAOAGV-IUODEOHRSA-N	1	0	355.446	1.647	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1	ZINC001573300577	947114871	/nfs/dbraw/zinc/11/48/71/947114871.db2.gz	ZNXJKEWWORCUCF-GFCCVEGCSA-N	1	0	363.853	1.779	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573583127	947200330	/nfs/dbraw/zinc/20/03/30/947200330.db2.gz	JXEZEFZIIWYXCZ-UONOGXRCSA-N	1	0	353.430	1.355	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1	ZINC001143354076	947311019	/nfs/dbraw/zinc/31/10/19/947311019.db2.gz	WORFQCQBMFXKRQ-OAHLLOKOSA-N	1	0	350.463	1.690	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573320243	947345353	/nfs/dbraw/zinc/34/53/53/947345353.db2.gz	VUPQMAUNDZHYEW-OAHLLOKOSA-N	1	0	367.457	1.855	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H](C)[C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1	ZINC001573326412	947371549	/nfs/dbraw/zinc/37/15/49/947371549.db2.gz	OSJYDQPOLIBXRN-OLZOCXBDSA-N	1	0	355.446	1.735	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)n2cncn2)C[C@H]1c1ccc(OC)cc1	ZINC001090869399	947384912	/nfs/dbraw/zinc/38/49/12/947384912.db2.gz	XGTLYGATTXUPGN-FHLIZLRMSA-N	1	0	353.426	1.065	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@H]1c1ccc(OC)cc1	ZINC001090866497	947404377	/nfs/dbraw/zinc/40/43/77/947404377.db2.gz	FGOCEXQPAPPYFY-LSDHHAIUSA-N	1	0	351.834	1.207	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1	ZINC001573328417	947406680	/nfs/dbraw/zinc/40/66/80/947406680.db2.gz	VWRBQIZGGVZDQC-ZDUSSCGKSA-N	1	0	355.446	1.911	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(OC)ncn2)C[C@H]1c1ccc(OC)cc1	ZINC001090871014	947418503	/nfs/dbraw/zinc/41/85/03/947418503.db2.gz	JFIMRCWRSFZOHN-FUHWJXTLSA-N	1	0	368.437	1.878	20	30		FDEDRO
C=CCCC(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1	ZINC001573330393	947432983	/nfs/dbraw/zinc/43/29/83/947432983.db2.gz	WZFUDQQTVJURCM-KGLIPLIRSA-N	1	0	355.446	1.546	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1c1ccc(OC)cc1	ZINC001090874830	947484237	/nfs/dbraw/zinc/48/42/37/947484237.db2.gz	UIJKPWXAMGUWFF-OKZBNKHCSA-N	1	0	357.454	1.291	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccnc(OC)c2)C[C@H]1c1ccc(OC)cc1	ZINC001090875465	947492992	/nfs/dbraw/zinc/49/29/92/947492992.db2.gz	VHVRRJHPRKTVCI-RBUKOAKNSA-N	1	0	365.433	1.930	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2NCC#N)cc1	ZINC001090875518	947493040	/nfs/dbraw/zinc/49/30/40/947493040.db2.gz	XUHPTEBBBHDRCW-OTWHNJEPSA-N	1	0	356.470	1.587	20	30		FDEDRO
C=CCCOCC(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573336497	947506428	/nfs/dbraw/zinc/50/64/28/947506428.db2.gz	OCIHEMMVBKXINL-UHFFFAOYSA-N	1	0	370.457	1.538	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2ccn(C)n2)C[C@H]1c1ccc(OC)cc1	ZINC001090873062	947507196	/nfs/dbraw/zinc/50/71/96/947507196.db2.gz	YUWWFIGSFNPAAA-VQTJNVASSA-N	1	0	366.465	1.579	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2NCC#N)cc1	ZINC001090877522	947536253	/nfs/dbraw/zinc/53/62/53/947536253.db2.gz	UYLRRUMSJKSUNL-RBUKOAKNSA-N	1	0	370.497	1.977	20	30		FDEDRO
Cn1nccc1[C@H](O)C1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000856804130	971404103	/nfs/dbraw/zinc/40/41/03/971404103.db2.gz	MKODSUPDIPACGO-YLJYHZDGSA-N	1	0	370.453	1.477	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2snnc2CC)C[C@H]1c1ccc(OC)cc1	ZINC001090876008	947552464	/nfs/dbraw/zinc/55/24/64/947552464.db2.gz	MMACDUUKWXCRLH-DOTOQJQBSA-N	1	0	370.478	1.940	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ncc(OC)cn2)C[C@H]1c1ccc(OC)cc1	ZINC001090876053	947553168	/nfs/dbraw/zinc/55/31/68/947553168.db2.gz	PEDSDZQDPTXBAT-ZWKOTPCHSA-N	1	0	366.421	1.325	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1c1ccc(OC)cc1	ZINC001090876832	947562950	/nfs/dbraw/zinc/56/29/50/947562950.db2.gz	CJRYUGVCIOIASQ-JKSUJKDBSA-N	1	0	356.426	1.518	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@H]1c1ccc(OC)cc1	ZINC001090882622	947619659	/nfs/dbraw/zinc/61/96/59/947619659.db2.gz	LNQLJOXEQOFALD-YTQUADARSA-N	1	0	371.481	1.824	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)=O)C[C@H]1c1ccc(OC)cc1	ZINC001090884300	947638790	/nfs/dbraw/zinc/63/87/90/947638790.db2.gz	JDOMHNBWJZYFLU-ZCNNSNEGSA-N	1	0	369.465	1.223	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCN(C(C)=O)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090884332	947640680	/nfs/dbraw/zinc/64/06/80/947640680.db2.gz	LMUAXELMFQPPHY-YZGWKJHDSA-N	1	0	371.481	1.634	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C)cc2=O)C[C@H]1c1ccc(OC)cc1	ZINC001090884743	947648187	/nfs/dbraw/zinc/64/81/87/947648187.db2.gz	IBLOXDAEFWBDAY-RBUKOAKNSA-N	1	0	365.433	1.523	20	30		FDEDRO
CC[C@H](C(=O)N[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@H]1OC)[NH+](C)C	ZINC001090904409	947882093	/nfs/dbraw/zinc/88/20/93/947882093.db2.gz	DNFOHIGJJTZVBA-RBSFLKMASA-N	1	0	365.865	1.267	20	30		FDEDRO
CO[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C	ZINC001090905479	947908812	/nfs/dbraw/zinc/90/88/12/947908812.db2.gz	YGTLEUPDIWNMRC-JFIYKMOQSA-N	1	0	359.474	1.168	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@H]1OC	ZINC001090911742	947915829	/nfs/dbraw/zinc/91/58/29/947915829.db2.gz	BGMFFJGDSUMCBE-GHMZBOCLSA-N	1	0	371.894	1.330	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH+]2CCC(c3ccc(OC)cn3)CC2)CC1	ZINC000844352440	948005569	/nfs/dbraw/zinc/00/55/69/948005569.db2.gz	WVLMASBPWLWBEH-UHFFFAOYSA-N	1	0	356.470	1.047	20	30		FDEDRO
N#Cc1cncc(C[N@H+]2C[C@@H](C(=O)N3CC=CC3)C3(C2)CCOCC3)c1	ZINC001144075434	948188783	/nfs/dbraw/zinc/18/87/83/948188783.db2.gz	PRTMRDWUCOOXNQ-SFHVURJKSA-N	1	0	352.438	1.580	20	30		FDEDRO
COCCN1CC2(CC[NH+](Cc3cncc(C#N)c3)CC2)[C@@H](COC)C1=O	ZINC001144080555	948201896	/nfs/dbraw/zinc/20/18/96/948201896.db2.gz	QJVUEOWXUFNJPV-SFHVURJKSA-N	1	0	372.469	1.287	20	30		FDEDRO
COC(=O)CCCNC(=S)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000844595870	948234115	/nfs/dbraw/zinc/23/41/15/948234115.db2.gz	BIGPAEPEZCLAPB-UHFFFAOYSA-N	1	0	374.510	1.940	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H](C(=O)N3CCCC3)C3(C2)CCOCC3)nc1	ZINC001144158320	948301670	/nfs/dbraw/zinc/30/16/70/948301670.db2.gz	BEPDEYIUTZFTSG-SFHVURJKSA-N	1	0	354.454	1.804	20	30		FDEDRO
C[C@H](COCC(=O)N1C[C@@H](C)[C@H](Nc2ncccc2C#N)C1)[NH+]1CCCC1	ZINC001091024420	948517158	/nfs/dbraw/zinc/51/71/58/948517158.db2.gz	LIHMXDSIZWPJGO-JFIYKMOQSA-N	1	0	371.485	1.713	20	30		FDEDRO
Cc1cc(N2C[C@@H](NC(=O)[C@H](C(C)C)[NH+]3CCCC3)[C@@H](O)C2)c(C#N)cn1	ZINC001091111079	949291365	/nfs/dbraw/zinc/29/13/65/949291365.db2.gz	OCBRZKJAURQZPI-NEWSRXKRSA-N	1	0	371.485	1.048	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O)[NH+]1CCCCC1	ZINC001091117736	949353437	/nfs/dbraw/zinc/35/34/37/949353437.db2.gz	RMHMNKCTNZQMSH-AOIWGVFYSA-N	1	0	371.485	1.129	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OC1CCN(CC#N)CC1	ZINC000845494294	949379654	/nfs/dbraw/zinc/37/96/54/949379654.db2.gz	AWULZZYTVBHZBK-OAHLLOKOSA-N	1	0	368.478	1.363	20	30		FDEDRO
C[C@@H](C[NH+]1CCCC1)OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000845673804	949755247	/nfs/dbraw/zinc/75/52/47/949755247.db2.gz	WORKKZDIWSVCDF-AWEZNQCLSA-N	1	0	365.455	1.520	20	30		FDEDRO
C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O	ZINC001091158318	949821293	/nfs/dbraw/zinc/82/12/93/949821293.db2.gz	ONIAVGTTXDNWMB-SJORKVTESA-N	1	0	371.485	1.272	20	30		FDEDRO
Cc1cc(N(C)C[C@@H]2CCCN2C(=O)[C@H](C)C#N)c(-c2nn[nH]n2)c[nH+]1	ZINC001570967504	950211800	/nfs/dbraw/zinc/21/18/00/950211800.db2.gz	IQAUSCAEEDMBJD-YPMHNXCESA-N	1	0	354.418	1.157	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	ZINC000857234049	971662900	/nfs/dbraw/zinc/66/29/00/971662900.db2.gz	FGHTXALWEGXBRA-FUHWJXTLSA-N	1	0	358.486	1.779	20	30		FDEDRO
C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1	ZINC001574994871	950497760	/nfs/dbraw/zinc/49/77/60/950497760.db2.gz	ATRAUNMGRQOCLT-LBPRGKRZSA-N	1	0	364.413	1.317	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]21	ZINC000961989313	1013104999	/nfs/dbraw/zinc/10/49/99/1013104999.db2.gz	ACEDCCALHDMFQB-OIGVQNGMSA-N	1	0	371.481	1.303	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001570983136	950668112	/nfs/dbraw/zinc/66/81/12/950668112.db2.gz	LKZJIGNEQMRKOQ-SMDDNHRTSA-N	1	0	357.393	1.198	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CNC(C)=O)s2)C1	ZINC001196429993	971694821	/nfs/dbraw/zinc/69/48/21/971694821.db2.gz	VRSDHEDRYJMQDK-DAXOMENPSA-N	1	0	365.499	1.514	20	30		FDEDRO
C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1ccc(C#N)cc1F	ZINC001575017230	950982984	/nfs/dbraw/zinc/98/29/84/950982984.db2.gz	IJNAYIMJFFFMBF-SNVBAGLBSA-N	1	0	368.376	1.114	20	30		FDEDRO
CC[C@H](C(=O)N1CC[C@H]2CCN(c3ccc(C#N)nn3)[C@H]2C1)[NH+](CC)CC	ZINC001091230554	951122524	/nfs/dbraw/zinc/12/25/24/951122524.db2.gz	UGWNSPLEYLSBHY-JQHSSLGASA-N	1	0	370.501	1.896	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CCCC[C@H]1Nc1ccncc1C#N	ZINC001091280938	951302553	/nfs/dbraw/zinc/30/25/53/951302553.db2.gz	WXPMEGWANASLEU-CGTJXYLNSA-N	1	0	361.465	1.894	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)CC3SC(=N)NC3=O)CC2)c1	ZINC000846612784	951377269	/nfs/dbraw/zinc/37/72/69/951377269.db2.gz	ZLXSWNSKXSVOAF-OAHLLOKOSA-N	1	0	371.466	1.195	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H]3CCO[C@H]3CC)c2)C1	ZINC001091404514	951598365	/nfs/dbraw/zinc/59/83/65/951598365.db2.gz	KRCGTCQSYWWGKO-QRVBRYPASA-N	1	0	357.454	1.599	20	30		FDEDRO
CCOC(=O)C(=O)Nc1ccc(NC(=[NH2+])c2ccc(C(N)=O)cc2)cc1	ZINC001171256667	951666189	/nfs/dbraw/zinc/66/61/89/951666189.db2.gz	LFIRDJLJOPXOHR-UHFFFAOYSA-N	1	0	354.366	1.324	20	30		FDEDRO
C#C[C@H]1CCC[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000847022503	951776272	/nfs/dbraw/zinc/77/62/72/951776272.db2.gz	UPKWVXCSUONWKE-PXNSSMCTSA-N	1	0	368.456	1.880	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)CC1	ZINC001571050618	951798184	/nfs/dbraw/zinc/79/81/84/951798184.db2.gz	ROCMZKFDPNKWMN-OAHLLOKOSA-N	1	0	368.441	1.765	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@H]3COCCO3)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001091503676	951892913	/nfs/dbraw/zinc/89/29/13/951892913.db2.gz	KHPZQCREDNFZGQ-HBFSDRIKSA-N	1	0	355.438	1.254	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[C@@H](Nc2ccc(C#N)nc2)C1	ZINC001091579116	952125171	/nfs/dbraw/zinc/12/51/71/952125171.db2.gz	YAHSQORXXAOQTD-YESZJQIVSA-N	1	0	371.485	1.618	20	30		FDEDRO
CC(C)[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(C#N)n2)C1)[NH+]1CCCC1	ZINC001091583091	952138690	/nfs/dbraw/zinc/13/86/90/952138690.db2.gz	FOFXVUZKHWBNFH-FCEWJHQRSA-N	1	0	370.501	1.587	20	30		FDEDRO
N#Cc1cncc(N[C@@H]2CC[C@H](CNC(=O)CCC[NH+]3CCCC3)C2)n1	ZINC001091585022	952145403	/nfs/dbraw/zinc/14/54/03/952145403.db2.gz	QZGUYPMTEJRSEW-JKSUJKDBSA-N	1	0	356.474	1.921	20	30		FDEDRO
CCc1noc(CN2C[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@]3(C)C2)n1	ZINC001091612928	952287444	/nfs/dbraw/zinc/28/74/44/952287444.db2.gz	INNGCYNFUXEDCG-ACJLOTCBSA-N	1	0	354.414	1.426	20	30		FDEDRO
Cn1nccc1CC(=O)N1C[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@]2(C)C1	ZINC001091629947	952386459	/nfs/dbraw/zinc/38/64/59/952386459.db2.gz	SDNJHVNVKAYBGV-NQIIRXRSSA-N	1	0	363.465	1.815	20	30		FDEDRO
C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(N2CCOC2=O)cc1	ZINC000772981389	952422530	/nfs/dbraw/zinc/42/25/30/952422530.db2.gz	CXNLDNVXXYHKFE-OYLHUBKDSA-N	1	0	370.409	1.820	20	30		FDEDRO
C[C@]12CN(C(=O)CO[C@H]3CCOC3)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001091666781	952552390	/nfs/dbraw/zinc/55/23/90/952552390.db2.gz	FTXRJNFVBDIPPV-URVUXULASA-N	1	0	368.477	1.624	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3c[nH]cc3-c3cnn(C)c3)C[C@]2(C)C1	ZINC001091666845	952552769	/nfs/dbraw/zinc/55/27/69/952552769.db2.gz	IHURWFMCVBZQHB-UZLBHIALSA-N	1	0	351.454	1.832	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1C[C@@H](CNc2ccc(C#N)nc2)[C@H](OCC)C1	ZINC001091668326	952557089	/nfs/dbraw/zinc/55/70/89/952557089.db2.gz	KAIFGBRKHMDGLQ-CRAIPNDOSA-N	1	0	359.474	1.570	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccn(C4CCOCC4)n3)C[C@]2(C)C1	ZINC001091670252	952577319	/nfs/dbraw/zinc/57/73/19/952577319.db2.gz	DAGHEHFNCATABP-UZLBHIALSA-N	1	0	356.470	1.652	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCn3cncn3)C[C@@]2(C)C1	ZINC001091682909	952630232	/nfs/dbraw/zinc/63/02/32/952630232.db2.gz	PTBGVJBQAQPPPB-VXNCWWDNSA-N	1	0	359.474	1.040	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)C(=O)NCC(C)C)C2	ZINC001148310776	952679542	/nfs/dbraw/zinc/67/95/42/952679542.db2.gz	OBPISPVBKDCFGZ-BBWFWOEESA-N	1	0	363.502	1.273	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CCNC(=O)C1CC1)C2	ZINC001148424924	952727609	/nfs/dbraw/zinc/72/76/09/952727609.db2.gz	XCMXTWSMOJBPJS-IRXDYDNUSA-N	1	0	361.486	1.028	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cc(=O)[nH]c4ncn(C)c43)C[C@]2(C)C1	ZINC001091730476	952748962	/nfs/dbraw/zinc/74/89/62/952748962.db2.gz	WQWRSVYVKZMMNS-YJYMSZOUSA-N	1	0	353.426	1.091	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCN3c3ncccn3)C[C@]2(C)C1	ZINC001091755255	952819232	/nfs/dbraw/zinc/81/92/32/952819232.db2.gz	IYERGNCXSSTSKB-UWVAXJGDSA-N	1	0	355.486	1.802	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccon2)C1	ZINC001086855483	952866648	/nfs/dbraw/zinc/86/66/48/952866648.db2.gz	BCTALTOAUULLIX-LSDHHAIUSA-N	1	0	354.410	1.770	20	30		FDEDRO
N#CCOc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCC(=O)N3)C2)cc1	ZINC001086856217	952902600	/nfs/dbraw/zinc/90/26/00/952902600.db2.gz	OELVJKLJRDBICO-JZXOWHBKSA-N	1	0	370.453	1.242	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3C(C)C)C2)nc1	ZINC001086856430	952903043	/nfs/dbraw/zinc/90/30/43/952903043.db2.gz	ZMAROBZCVLTMLG-DLBZAZTESA-N	1	0	366.469	1.924	20	30		FDEDRO
COc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2c2cnn(C)c2)ccn1	ZINC001086970742	952972506	/nfs/dbraw/zinc/97/25/06/952972506.db2.gz	GNWAJBMGEDJDKL-XOKHGSTOSA-N	1	0	368.441	1.068	20	30		FDEDRO
Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1c1cnn(C)c1	ZINC001086971096	952973258	/nfs/dbraw/zinc/97/32/58/952973258.db2.gz	WZGZUBAMKOPFSI-QILLFSRXSA-N	1	0	352.442	1.367	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)/C(C)=C\C)C[C@H]2c2cnn(C)c2)C1=O	ZINC001086974087	952981327	/nfs/dbraw/zinc/98/13/27/952981327.db2.gz	VCBWHOUVKFPPTM-OTACCYBCSA-N	1	0	371.485	1.057	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2n[nH]c(CC)c2Cl)C[C@H]1c1cnn(C)c1	ZINC001086983125	952996540	/nfs/dbraw/zinc/99/65/40/952996540.db2.gz	YFORIGISOGNIAN-GXTWGEPZSA-N	1	0	360.849	1.190	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)CC[C@H](C)C3)C[C@H]1c1cnn(C)c1	ZINC001086983668	952997645	/nfs/dbraw/zinc/99/76/45/952997645.db2.gz	AQDSIZSNXCGPBN-BHYGNILZSA-N	1	0	366.469	1.030	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ncc(F)cc2F)C[C@H]1c1cnn(C)c1	ZINC001086984357	952998718	/nfs/dbraw/zinc/99/87/18/952998718.db2.gz	LQNMLESIPXVTCS-GOEBONIOSA-N	1	0	361.396	1.867	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccc3nccn32)C[C@H]1c1cnn(C)c1	ZINC001086987197	953009025	/nfs/dbraw/zinc/00/90/25/953009025.db2.gz	FRFVYDLTCOURIV-JKSUJKDBSA-N	1	0	350.426	1.452	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnc3ccc(C)cn32)C[C@H]1c1cnn(C)c1	ZINC001086987547	953009899	/nfs/dbraw/zinc/00/98/99/953009899.db2.gz	YSPLBKUBXWIKMY-DLBZAZTESA-N	1	0	364.453	1.760	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C)cn3ccnc23)C[C@H]1c1cnn(C)c1	ZINC001086989213	953013870	/nfs/dbraw/zinc/01/38/70/953013870.db2.gz	OEZOMNKXMDPOFC-ZWKOTPCHSA-N	1	0	364.453	1.760	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCn2nc(C)cc2C)C[C@H]1c1cnn(C)c1	ZINC001086989431	953014293	/nfs/dbraw/zinc/01/42/93/953014293.db2.gz	AGODBYJZHVSTOU-ZWKOTPCHSA-N	1	0	356.474	1.394	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc3cc(F)ccc3[nH]2)C[C@H]1c1cnn(C)c1	ZINC001086989972	953016288	/nfs/dbraw/zinc/01/62/88/953016288.db2.gz	CDAQOXDZIVHDLZ-QFBILLFUSA-N	1	0	365.412	1.872	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cnn3cccnc23)C[C@H]1c1cnn(C)c1	ZINC001086990799	953018493	/nfs/dbraw/zinc/01/84/93/953018493.db2.gz	VMIKYEAJWWFSSK-DLBZAZTESA-N	1	0	365.441	1.237	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2ccn(C)n2)C[C@H]1c1cnn(C)c1	ZINC001086981449	953033148	/nfs/dbraw/zinc/03/31/48/953033148.db2.gz	JPYCEXUZDCDXPC-ZWKOTPCHSA-N	1	0	356.474	1.247	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccnc3ccnn32)C[C@H]1c1cnn(C)c1	ZINC001086982076	953034462	/nfs/dbraw/zinc/03/44/62/953034462.db2.gz	SCJFESUAAKSZJP-JKSUJKDBSA-N	1	0	365.441	1.237	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnc3[nH]c(C)nc3c2)C[C@H]1c1cnn(C)c1	ZINC001086982156	953034900	/nfs/dbraw/zinc/03/49/00/953034900.db2.gz	WBUYVRYIOLHVPU-DOTOQJQBSA-N	1	0	365.441	1.384	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ncc(OC)cc2F)C[C@H]1c1cnn(C)c1	ZINC001086982139	953035130	/nfs/dbraw/zinc/03/51/30/953035130.db2.gz	VQJTYLSOCUJSHS-GOEBONIOSA-N	1	0	359.405	1.347	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccncc2Cl)C[C@H]1c1cnn(C)c1	ZINC001086997092	953039349	/nfs/dbraw/zinc/03/93/49/953039349.db2.gz	KNGAGKFDQGDELZ-DOTOQJQBSA-N	1	0	357.845	1.228	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1c1cnn(C)c1	ZINC001086997348	953040002	/nfs/dbraw/zinc/04/00/02/953040002.db2.gz	ZYOVNEOXRPEDBC-XHSDSOJGSA-N	1	0	353.898	1.397	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(CC)c[nH]c2=O)C[C@H]1c1cnn(C)c1	ZINC001087003511	953059847	/nfs/dbraw/zinc/05/98/47/953059847.db2.gz	AISRIWLDXGGKGZ-ZWKOTPCHSA-N	1	0	369.469	1.857	20	30		FDEDRO
CCn1nccc1[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(OC)c(C#N)c1	ZINC000849366611	953060825	/nfs/dbraw/zinc/06/08/25/953060825.db2.gz	PSAXTBSCSRBQJO-DNVCBOLYSA-N	1	0	353.426	1.893	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(CCC)nc2C)C[C@H]1c1cnn(C)c1	ZINC001087003965	953061002	/nfs/dbraw/zinc/06/10/02/953061002.db2.gz	YKJVSGVWGNAEBZ-ZWKOTPCHSA-N	1	0	354.458	1.166	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)cc2C)C[C@H]1c1cnn(C)c1	ZINC001086994912	953066670	/nfs/dbraw/zinc/06/66/70/953066670.db2.gz	AZEMQLWFZIQRLL-RBUKOAKNSA-N	1	0	352.438	1.568	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccccc2OCC)C[C@H]1c1cnn(C)c1	ZINC001087008089	953094775	/nfs/dbraw/zinc/09/47/75/953094775.db2.gz	MWITXANUEQWVCQ-ZWKOTPCHSA-N	1	0	352.438	1.650	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COc2cccc(CC)c2)C[C@H]1c1cnn(C)c1	ZINC001087008368	953095258	/nfs/dbraw/zinc/09/52/58/953095258.db2.gz	ASCXJPWKXVZWQH-VQTJNVASSA-N	1	0	366.465	1.579	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)n(C(C)(C)C)n2)C[C@H]1c1cnn(C)c1	ZINC001087009915	953099757	/nfs/dbraw/zinc/09/97/57/953099757.db2.gz	FHXRPSBZNLYUMM-FUHWJXTLSA-N	1	0	368.485	1.511	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ncccc2OCC)C[C@H]1c1cnn(C)c1	ZINC001087012448	953107084	/nfs/dbraw/zinc/10/70/84/953107084.db2.gz	YFIMWDIODNIBFO-JKSUJKDBSA-N	1	0	355.442	1.598	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCc2cncc(F)c2)C[C@H]1c1cnn(C)c1	ZINC001087012912	953107862	/nfs/dbraw/zinc/10/78/62/953107862.db2.gz	VQMZVLINNTWDPE-ZWKOTPCHSA-N	1	0	357.433	1.657	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](CC)OC)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087033358	953134601	/nfs/dbraw/zinc/13/46/01/953134601.db2.gz	PJNINQJAQCXWSG-CEXWTWQISA-N	1	0	359.470	1.936	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CC3CCC3)C[C@H]2OCC)C1=O	ZINC001087039179	953155255	/nfs/dbraw/zinc/15/52/55/953155255.db2.gz	KIYZEBXOWBCVPJ-KZNAEPCWSA-N	1	0	363.502	1.417	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1nccn1CC	ZINC001087045536	953170990	/nfs/dbraw/zinc/17/09/90/953170990.db2.gz	LRBYVUHVRVUKMS-NVXWUHKLSA-N	1	0	370.457	1.370	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1nnc(C(C)C)[nH]1	ZINC001087053572	953186206	/nfs/dbraw/zinc/18/62/06/953186206.db2.gz	WROUVIMIQBRWFD-HZPDHXFCSA-N	1	0	359.474	1.295	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]C[C@H]1CCCCO1	ZINC001087047113	953195615	/nfs/dbraw/zinc/19/56/15/953195615.db2.gz	SWEZVCFLRXXBOQ-KBAYOESNSA-N	1	0	360.458	1.522	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087087945	953250027	/nfs/dbraw/zinc/25/00/27/953250027.db2.gz	CGSHTBAQIZNKEZ-IEBWSBKVSA-N	1	0	367.453	1.477	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]CC3CCC3)[C@H](OCC)C2)nn1	ZINC001087090401	953254540	/nfs/dbraw/zinc/25/45/40/953254540.db2.gz	KYFBNNJKPKWYSF-SJLPKXTDSA-N	1	0	361.490	1.721	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnon2)[C@H](OCC)C1	ZINC001087091037	953254826	/nfs/dbraw/zinc/25/48/26/953254826.db2.gz	QLGHCXZUKCOHIP-XBVQOTNRSA-N	1	0	364.446	1.004	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)CCN1c1ccc(C#N)nc1	ZINC001091784585	953301563	/nfs/dbraw/zinc/30/15/63/953301563.db2.gz	IORDUSOMUKEHSX-AYOQOUSVSA-N	1	0	371.485	1.395	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)c3cnc4ccc(OC)nn43)C[C@]2(C)C1	ZINC001091796939	953323802	/nfs/dbraw/zinc/32/38/02/953323802.db2.gz	GJCTUYLSUYCTSR-KUHUBIRLSA-N	1	0	355.442	1.708	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CCN1c1nccnc1C#N	ZINC001091832018	953374959	/nfs/dbraw/zinc/37/49/59/953374959.db2.gz	NVSZZXMXGNUEGS-YQQAZPJKSA-N	1	0	356.474	1.696	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)C[C@]2(C)C1	ZINC001091881357	953510070	/nfs/dbraw/zinc/51/00/70/953510070.db2.gz	DDZDVKLLJSLAEI-KUHUBIRLSA-N	1	0	355.442	1.301	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(-c3nc[nH]n3)n2)C1	ZINC001196845825	971937820	/nfs/dbraw/zinc/93/78/20/971937820.db2.gz	WJZBSPXJQSVGSN-DMDPSCGWSA-N	1	0	362.459	1.058	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4nncn4CC3)C[C@]2(C)C1	ZINC001091864995	953606863	/nfs/dbraw/zinc/60/68/63/953606863.db2.gz	CNCSPGUAFGLTIG-QKLQHJQFSA-N	1	0	357.502	1.977	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N2C[C@H]3CCN(c4ccc(C#N)cn4)C[C@H]3C2)CC1	ZINC001091870071	953624656	/nfs/dbraw/zinc/62/46/56/953624656.db2.gz	CATUBECAMXMPBG-SJORKVTESA-N	1	0	353.470	1.580	20	30		FDEDRO
C[N@H+](CC(=O)N1C[C@H]2CCN(c3nccnc3C#N)C[C@H]2C1)CC(C)(C)C	ZINC001091870318	953626070	/nfs/dbraw/zinc/62/60/70/953626070.db2.gz	MDRRQMNMRVUDSY-CVEARBPZSA-N	1	0	370.501	1.611	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1	ZINC001091916164	953706422	/nfs/dbraw/zinc/70/64/22/953706422.db2.gz	CLFBKHCWIJFCFB-RKVPGOIHSA-N	1	0	354.516	1.414	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)s2)C1	ZINC001196892034	971959878	/nfs/dbraw/zinc/95/98/78/971959878.db2.gz	MTBSEQGNJCZTHK-CHWSQXEVSA-N	1	0	353.488	1.592	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)CCCC[NH+]2CCCC2)CCN1c1cncc(C#N)n1	ZINC001091988549	953888512	/nfs/dbraw/zinc/88/85/12/953888512.db2.gz	RUOBXFFITBTQRS-WBVHZDCISA-N	1	0	356.474	1.698	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCN(c2ccc(C#N)cn2)[C@@H]1C	ZINC001091973105	953960651	/nfs/dbraw/zinc/96/06/51/953960651.db2.gz	WGACVIWVFHLRQL-INMHGKMJSA-N	1	0	357.458	1.005	20	30		FDEDRO
Cn1cc(C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@@]3(C)C2)[nH]c1=O	ZINC001091978747	953974537	/nfs/dbraw/zinc/97/45/37/953974537.db2.gz	CXUFEBUWUXZAJI-XIKOKIGWSA-N	1	0	371.466	1.653	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCCN2CCOCC2)C1	ZINC001196940972	971999995	/nfs/dbraw/zinc/99/99/95/971999995.db2.gz	YJAPVZOKCLROBS-RTBURBONSA-N	1	0	367.534	1.397	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cnn4cccc(OC)c34)C[C@]2(C)C1	ZINC001092103587	954319897	/nfs/dbraw/zinc/31/98/97/954319897.db2.gz	ZWNOODGYZJFCIX-QRWLVFNGSA-N	1	0	352.438	1.760	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@@H+]1C[C@@H]2CN(C(=O)c3cnon3)C[C@]2(C)C1	ZINC001092115122	954350084	/nfs/dbraw/zinc/35/00/84/954350084.db2.gz	DGIQSGMGLZBIRJ-BEFAXECRSA-N	1	0	367.409	1.544	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)c3c[nH]nc3-c3cnn(C)c3)C[C@]2(C)C1	ZINC001092189592	954492607	/nfs/dbraw/zinc/49/26/07/954492607.db2.gz	GCFNPENEXHPLLL-BEFAXECRSA-N	1	0	354.458	1.780	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3n[nH]c(=O)c4ccccc43)C[C@]2(C)C1	ZINC001092219902	954552917	/nfs/dbraw/zinc/55/29/17/954552917.db2.gz	LNXKDTQUFIZAJB-VLIAUNLRSA-N	1	0	350.422	1.753	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3cc(OC)ccc23)C1	ZINC001196986096	972024648	/nfs/dbraw/zinc/02/46/48/972024648.db2.gz	WQMQGGOJZJKZJH-MZMPZRCHSA-N	1	0	358.442	1.473	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@@]2(C)C1	ZINC001092210396	954615302	/nfs/dbraw/zinc/61/53/02/954615302.db2.gz	LRTGRSCEWGVLSR-LZJOCLMNSA-N	1	0	369.465	1.524	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)CCC(C)C)C1	ZINC001196985882	972023850	/nfs/dbraw/zinc/02/38/50/972023850.db2.gz	RACOVVIEAZJBRF-IAGOWNOFSA-N	1	0	355.523	1.671	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CN3C(=O)NC(C)(C)C3=O)C[C@]2(C)C1	ZINC001092252797	954710238	/nfs/dbraw/zinc/71/02/38/954710238.db2.gz	UYHCMXSXQQVGFM-KUHUBIRLSA-N	1	0	362.474	1.063	20	30		FDEDRO
C[C@]12CN(C(=O)Cn3cncn3)C[C@H]1C[N@H+](Cc1ccc(C#N)s1)C2	ZINC001092256816	954718486	/nfs/dbraw/zinc/71/84/86/954718486.db2.gz	UXVQVOGIVIJQFK-DYVFJYSZSA-N	1	0	356.455	1.192	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)Cn3ccc(C(F)(F)F)n3)C[C@]2(C)C1	ZINC001092257099	954719622	/nfs/dbraw/zinc/71/96/22/954719622.db2.gz	IJXQHJDGIPOYBV-CJNGLKHVSA-N	1	0	354.376	1.706	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N2C[C@H]3CN(c4ccc(C#N)nc4)C[C@@]3(C)C2)CC1	ZINC001092303938	954763829	/nfs/dbraw/zinc/76/38/29/954763829.db2.gz	TWSUOIRAMKQUDJ-BEFAXECRSA-N	1	0	353.470	1.580	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc4c(c3)[nH]c(=O)n4C)C[C@]2(C)C1	ZINC001092304333	954765540	/nfs/dbraw/zinc/76/55/40/954765540.db2.gz	GWCNUSFPMYSNRT-QRWLVFNGSA-N	1	0	352.438	1.696	20	30		FDEDRO
C[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1CNC(=O)COCC[NH+](C)C	ZINC001092385405	954984526	/nfs/dbraw/zinc/98/45/26/954984526.db2.gz	YCZYADMAFCJDQM-HUUCEWRRSA-N	1	0	362.449	1.464	20	30		FDEDRO
C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[C@H]1C(=O)N(C)C)c1nccn12	ZINC001092396651	955003255	/nfs/dbraw/zinc/00/32/55/955003255.db2.gz	AAWVALYIMZWEDK-ARFHVFGLSA-N	1	0	371.485	1.146	20	30		FDEDRO
CC[C@H](C(=O)NC[C@@H]1CN(c2nccnc2C#N)C[C@H]1C)[NH+](CC)CC	ZINC001092442453	955109263	/nfs/dbraw/zinc/10/92/63/955109263.db2.gz	RPKWAWYZEUDGAX-BFYDXBDKSA-N	1	0	358.490	1.657	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@@H](CNC(=O)C[N@H+]3CC[C@H](C)C3)[C@H](C)C2)n1	ZINC001092444347	955114703	/nfs/dbraw/zinc/11/47/03/955114703.db2.gz	CRTLPERDYAEAKK-HDMKZQKVSA-N	1	0	355.486	1.792	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1	ZINC001092408725	955135603	/nfs/dbraw/zinc/13/56/03/955135603.db2.gz	XIUDFADSIVRYJS-HZPDHXFCSA-N	1	0	370.501	1.801	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3nc(C)ccc3c2)C1	ZINC001197089710	972075045	/nfs/dbraw/zinc/07/50/45/972075045.db2.gz	HANGJSBBBKWTBT-RTBURBONSA-N	1	0	355.438	1.521	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3cnc(C)s3)[C@H](C)C2)C1=O	ZINC001092501875	955271798	/nfs/dbraw/zinc/27/17/98/955271798.db2.gz	QKJQEMGCQGREGZ-YUELXQCFSA-N	1	0	362.499	1.536	20	30		FDEDRO
C[N@@H+]1CCN(CCNS(=O)(=O)c2cc(F)cc(C#N)c2)CC1(C)C	ZINC000867229420	972082616	/nfs/dbraw/zinc/08/26/16/972082616.db2.gz	GTPXEYKKQZGQHQ-UHFFFAOYSA-N	1	0	354.451	1.002	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001092551494	955404351	/nfs/dbraw/zinc/40/43/51/955404351.db2.gz	IEBSARFZRKUVRL-KYJSFNMBSA-N	1	0	368.485	1.269	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1C[C@@H](O)[C@H](NC(=O)CC[C@@H](C)CC)C1	ZINC001197138528	972095733	/nfs/dbraw/zinc/09/57/33/972095733.db2.gz	CUXGGECPDYYCLN-GVDBMIGSSA-N	1	0	353.507	1.399	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)NCC[C@@H]1CN(c2nccnc2C#N)C[C@H]1C	ZINC001092559096	955448015	/nfs/dbraw/zinc/44/80/15/955448015.db2.gz	UUDDIVFHPKJPHS-HUUCEWRRSA-N	1	0	358.490	1.657	20	30		FDEDRO
CC(=O)N1CC(C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2C)C1	ZINC001092568280	955483172	/nfs/dbraw/zinc/48/31/72/955483172.db2.gz	RTTHONGEAATXGK-TZMCWYRMSA-N	1	0	360.483	1.282	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1CCNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001092531889	955493943	/nfs/dbraw/zinc/49/39/43/955493943.db2.gz	VCYXEELYBKAFQM-BRWVUGGUSA-N	1	0	355.486	1.874	20	30		FDEDRO
Cc1nc(C)n(CC[N@@H+]2C[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)n1	ZINC001092531871	955494366	/nfs/dbraw/zinc/49/43/66/955494366.db2.gz	GGYRPQRSZABIFC-MLGOLLRUSA-N	1	0	355.446	1.093	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)[C@H](C)C1	ZINC001092604998	955642757	/nfs/dbraw/zinc/64/27/57/955642757.db2.gz	SIOKVCUJIHJTOA-MRVWCRGKSA-N	1	0	365.865	1.199	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3cc(C)sn3)[C@H](C)C2)C1=O	ZINC001092575078	955695646	/nfs/dbraw/zinc/69/56/46/955695646.db2.gz	JFIMROISVQJXMY-XPKDYRNWSA-N	1	0	362.499	1.536	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)c1cnnn1C	ZINC001092582450	955724385	/nfs/dbraw/zinc/72/43/85/955724385.db2.gz	NIQRCBZWTMJCNC-IUODEOHRSA-N	1	0	356.405	1.324	20	30		FDEDRO
C[C@@H]1CCC[N@H+]1CC(=O)NCC[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C	ZINC001092584488	955731657	/nfs/dbraw/zinc/73/16/57/955731657.db2.gz	YVGGQEIOOCFPNV-BZUAXINKSA-N	1	0	356.474	1.411	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@@H]1CC(=O)N(C)C1	ZINC001092654510	955905710	/nfs/dbraw/zinc/90/57/10/955905710.db2.gz	WVZHPLSPVWLZGU-ZTFGCOKTSA-N	1	0	354.454	1.221	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@@H]1CC(=O)N(C)C1	ZINC001092656088	955914331	/nfs/dbraw/zinc/91/43/31/955914331.db2.gz	YBINTCJJJVYBSD-ZTFGCOKTSA-N	1	0	354.454	1.221	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)c3ccncc3CC)[C@H](C)C2)C1=O	ZINC001092755251	956282432	/nfs/dbraw/zinc/28/24/32/956282432.db2.gz	WLEROVYVGVUSDM-SUMDDJOVSA-N	1	0	370.497	1.729	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)[C@H](C)C1	ZINC001092847742	956488819	/nfs/dbraw/zinc/48/88/19/956488819.db2.gz	AGPIPKVMGXNJIW-MKXGPGLRSA-N	1	0	365.518	1.126	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)cn1	ZINC001092888039	956612320	/nfs/dbraw/zinc/61/23/20/956612320.db2.gz	NAFPJQHYUKOUGV-NCOADZHNSA-N	1	0	359.449	1.859	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3csc(C)n3)[C@H](C)C2)C1=O	ZINC001092909891	956748104	/nfs/dbraw/zinc/74/81/04/956748104.db2.gz	JMKCZWSATWHSAO-XNRPHZJLSA-N	1	0	362.499	1.536	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21	ZINC001092889161	956801151	/nfs/dbraw/zinc/80/11/51/956801151.db2.gz	BLLBVUADCXNXJY-ZTTMTSROSA-N	1	0	356.441	1.754	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3ccn(C)c3C)[C@H](C)C2)C1=O	ZINC001092945987	956873167	/nfs/dbraw/zinc/87/31/67/956873167.db2.gz	LLEIFIQLWQFAHW-KYJSFNMBSA-N	1	0	358.486	1.418	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)c1cccc(=O)n1C	ZINC001092954162	956892848	/nfs/dbraw/zinc/89/28/48/956892848.db2.gz	KDIFZOBEWMWXKG-IEBWSBKVSA-N	1	0	363.461	1.735	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1C	ZINC001092982124	956986885	/nfs/dbraw/zinc/98/68/85/956986885.db2.gz	VCSAVHXLFQVACN-SRABZTEZSA-N	1	0	366.893	1.812	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)c1ccc(C(N)=O)[nH]1	ZINC001092969036	957014895	/nfs/dbraw/zinc/01/48/95/957014895.db2.gz	FWYAEHJWMJQJSI-CZUORRHYSA-N	1	0	365.437	1.483	20	30		FDEDRO
CCc1nc(C#N)cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H](CC)[NH+](C)C)C3)n1	ZINC001092992578	957072584	/nfs/dbraw/zinc/07/25/84/957072584.db2.gz	VPVVJQZPODIMEX-WCVJEAGWSA-N	1	0	356.474	1.477	20	30		FDEDRO
Cc1cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C3)c(C#N)cn1	ZINC001093023623	957161114	/nfs/dbraw/zinc/16/11/14/957161114.db2.gz	VTKXKUNAMAANQP-VXNCWWDNSA-N	1	0	353.470	1.828	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)[C@H](C)C1	ZINC001093044110	957208000	/nfs/dbraw/zinc/20/80/00/957208000.db2.gz	YWQJRSNWGHMAIC-PHXBYCTMSA-N	1	0	370.497	1.861	20	30		FDEDRO
C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N)CC(C)(C)C	ZINC001093047181	957213214	/nfs/dbraw/zinc/21/32/14/957213214.db2.gz	MLQRSHZCMDPSSK-FMKPAKJESA-N	1	0	356.474	1.552	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cnc(C)nc2)C[C@H]1C	ZINC001093048492	957217510	/nfs/dbraw/zinc/21/75/10/957217510.db2.gz	JHBQPUIOBKQFHM-OAOYMFHYSA-N	1	0	358.486	1.950	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1CNC(=O)c1cnn(C)n1	ZINC001093052043	957226052	/nfs/dbraw/zinc/22/60/52/957226052.db2.gz	NQMWQORTNHTIOQ-GDBMZVCRSA-N	1	0	371.872	1.818	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@H]2C)nn1	ZINC001093035217	957253753	/nfs/dbraw/zinc/25/37/53/957253753.db2.gz	SQGOZVAACUZOIR-NVXWUHKLSA-N	1	0	361.490	1.579	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1C	ZINC001093039877	957263309	/nfs/dbraw/zinc/26/33/09/957263309.db2.gz	BDWBNUNGAYLLBV-VXNCWWDNSA-N	1	0	363.502	1.274	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1	ZINC001093057062	957275061	/nfs/dbraw/zinc/27/50/61/957275061.db2.gz	DCOUGWHVCVTIPX-VQHPVUNQSA-N	1	0	354.458	1.449	20	30		FDEDRO
CCn1cc(C(=O)NC[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]2C)nn1	ZINC001093090311	957525571	/nfs/dbraw/zinc/52/55/71/957525571.db2.gz	WHGPACYGILKDGQ-NVXWUHKLSA-N	1	0	369.444	1.787	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(c1ccnc(C#N)n1)C2	ZINC001093091647	957537605	/nfs/dbraw/zinc/53/76/05/957537605.db2.gz	MIXHLTZBBMZVBM-KXBFYZLASA-N	1	0	356.474	1.555	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1C	ZINC001093137571	957630365	/nfs/dbraw/zinc/63/03/65/957630365.db2.gz	DRDQXFSYBSBFGF-BRWVUGGUSA-N	1	0	357.454	1.428	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)[C@@H]1CCC(=O)N1	ZINC001093139695	957633949	/nfs/dbraw/zinc/63/39/49/957633949.db2.gz	PRZSAJRDDUKMBC-KYJSFNMBSA-N	1	0	357.429	1.140	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)c3cncnc3CC)[C@H](C)C2)C1=O	ZINC001093201073	957776874	/nfs/dbraw/zinc/77/68/74/957776874.db2.gz	KHBPBLSPZZTCOZ-RKVPGOIHSA-N	1	0	371.485	1.124	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2nc3cc[nH]cc-3n2)C1	ZINC001197551286	972298527	/nfs/dbraw/zinc/29/85/27/972298527.db2.gz	HQMJVBAYXGGYMW-KBRIMQKVSA-N	1	0	357.458	1.407	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1CC[NH2+][C@H]1CCCN(C)C1=O	ZINC001093274481	957945003	/nfs/dbraw/zinc/94/50/03/957945003.db2.gz	PIVQUMBQRHSILB-FMKPAKJESA-N	1	0	357.458	1.195	20	30		FDEDRO
CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)C1=O	ZINC001093275040	957945771	/nfs/dbraw/zinc/94/57/71/957945771.db2.gz	VPZKQTYDARRGJF-FMKPAKJESA-N	1	0	357.458	1.195	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H]3CCNC3=O)C2)cc1	ZINC001093281689	957960234	/nfs/dbraw/zinc/96/02/34/957960234.db2.gz	TYOBIELACTUDNL-SUMDDJOVSA-N	1	0	371.481	1.828	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCC2(Nc3nccnc3C#N)CCCCC2)CC[N@@H+]1C	ZINC001093412288	958027911	/nfs/dbraw/zinc/02/79/11/958027911.db2.gz	SOTOCQHILSZFMW-HUUCEWRRSA-N	1	0	356.474	1.919	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc[n+]([O-])cc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093426057	958039363	/nfs/dbraw/zinc/03/93/63/958039363.db2.gz	AXHVTQZLRIQZHK-SOAMZJECSA-N	1	0	359.470	1.476	20	30		FDEDRO
Cc1ccc(C(=NO)NC(=O)c2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)nc1	ZINC001197620981	972315037	/nfs/dbraw/zinc/31/50/37/972315037.db2.gz	RAIABPRFGQFLEV-MRXNPFEDSA-N	1	0	354.410	1.522	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc[nH]n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093430501	958053321	/nfs/dbraw/zinc/05/33/21/958053321.db2.gz	NUXDLBAVMUISCK-ANQUJSFKSA-N	1	0	352.866	1.742	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CN3CCCC3=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001093432967	958058737	/nfs/dbraw/zinc/05/87/37/958058737.db2.gz	FHEYIBOQJVDZRE-XNFNUYLZSA-N	1	0	363.502	1.151	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn[nH]c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093432339	958058926	/nfs/dbraw/zinc/05/89/26/958058926.db2.gz	CVACLASCLUXWGX-ANQUJSFKSA-N	1	0	352.866	1.742	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nnn(C)c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093439849	958074585	/nfs/dbraw/zinc/07/45/85/958074585.db2.gz	QKGNNEVBTPIBCT-LFEHRJTNSA-N	1	0	361.490	1.279	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3nnc(C)o3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093443922	958087805	/nfs/dbraw/zinc/08/78/05/958087805.db2.gz	WMHPVLYXMOXGNY-OHDICMOHSA-N	1	0	362.474	1.463	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn4c(n3)CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093446323	958094375	/nfs/dbraw/zinc/09/43/75/958094375.db2.gz	HAFIJAKQQREEMU-QSFMABPGSA-N	1	0	356.470	1.042	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(Cl)cnn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093447087	958097995	/nfs/dbraw/zinc/09/79/95/958097995.db2.gz	QRYHNJBOQZEMPO-DEICHXMPSA-N	1	0	366.893	1.839	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnnn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093447183	958099177	/nfs/dbraw/zinc/09/91/77/958099177.db2.gz	SBYDDLTYVWMLDV-JJAZEVLHSA-N	1	0	367.881	1.147	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccncc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093447448	958100267	/nfs/dbraw/zinc/10/02/67/958100267.db2.gz	VQMNBYVZZVDRAD-RMVXJAJNSA-N	1	0	355.482	1.532	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nc(C)sc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093448715	958110032	/nfs/dbraw/zinc/11/00/32/958110032.db2.gz	BTOSSNRTNWZNRP-FXRXJOCMSA-N	1	0	361.511	1.973	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc4cccn4cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093448821	958111898	/nfs/dbraw/zinc/11/18/98/958111898.db2.gz	CXCISWROQUQPJQ-ANTGDGSKSA-N	1	0	366.465	1.547	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(OCC)n[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093449324	958114938	/nfs/dbraw/zinc/11/49/38/958114938.db2.gz	FVTAPPUWFBCGRW-LFEHRJTNSA-N	1	0	362.474	1.574	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc4nc[nH]c4n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093449605	958117589	/nfs/dbraw/zinc/11/75/89/958117589.db2.gz	HNJYIQUSAMLEKN-PDOICOKGSA-N	1	0	369.469	1.724	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3nc(CC)c[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093451000	958129444	/nfs/dbraw/zinc/12/94/44/958129444.db2.gz	QBYFTTAOLMWGQR-SMOSDQRPSA-N	1	0	358.486	1.114	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3nc(CC)c[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093451005	958130033	/nfs/dbraw/zinc/13/00/33/958130033.db2.gz	QBYFTTAOLMWGQR-YAJHFMINSA-N	1	0	358.486	1.114	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccc(F)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093451693	958133766	/nfs/dbraw/zinc/13/37/66/958133766.db2.gz	WSFYDKHEPPIXBG-LFGUQSLTSA-N	1	0	361.461	1.915	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccc(F)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093451692	958134254	/nfs/dbraw/zinc/13/42/54/958134254.db2.gz	WSFYDKHEPPIXBG-JYBIWHBTSA-N	1	0	361.461	1.915	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc4n3CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093451740	958135998	/nfs/dbraw/zinc/13/59/98/958135998.db2.gz	XJHRDZIHPXYTIJ-ODZKNYGOSA-N	1	0	356.470	1.042	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(OCC)no3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093460019	958186104	/nfs/dbraw/zinc/18/61/04/958186104.db2.gz	XJQCMUVLKOKPKV-PHNROFDPSA-N	1	0	363.458	1.839	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ocnc3C(F)F)[C@H]2C(C)C)C[C@H]1O	ZINC001093464074	958197776	/nfs/dbraw/zinc/19/77/76/958197776.db2.gz	BURYGAQYSCWOHX-ZLHQLQKESA-N	1	0	367.396	1.825	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ocnc3C(F)F)[C@H]2C(C)C)C[C@H]1O	ZINC001093464073	958197845	/nfs/dbraw/zinc/19/78/45/958197845.db2.gz	BURYGAQYSCWOHX-IMPJKCEKSA-N	1	0	367.396	1.825	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C)[nH]c3=O)[C@H]2C(C)C)C[C@H]1O	ZINC001093464580	958200212	/nfs/dbraw/zinc/20/02/12/958200212.db2.gz	CNOBNLXRLLDODH-PDOICOKGSA-N	1	0	357.454	1.309	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(COC)on3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093467205	958212992	/nfs/dbraw/zinc/21/29/92/958212992.db2.gz	RQABAYKQLSJFOD-MTNOOBJLSA-N	1	0	363.458	1.587	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncc(Cl)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093469561	958221933	/nfs/dbraw/zinc/22/19/33/958221933.db2.gz	HREBOCQCLIBLFZ-VXIBKDFQSA-N	1	0	361.873	1.948	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093470210	958227034	/nfs/dbraw/zinc/22/70/34/958227034.db2.gz	RFZXJCKTVFOONE-DNNBLBMLSA-N	1	0	367.881	1.147	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cncn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093472034	958237206	/nfs/dbraw/zinc/23/72/06/958237206.db2.gz	HYYMMRFWTFFWQQ-LFGUQSLTSA-N	1	0	360.502	1.505	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C)nc3Cl)[C@H]2C(C)C)C[C@H]1O	ZINC001093473695	958245101	/nfs/dbraw/zinc/24/51/01/958245101.db2.gz	RMOFDBJNSQGTOU-BSXFFOKHSA-N	1	0	364.877	1.286	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COC3CCCCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093452546	958256964	/nfs/dbraw/zinc/25/69/64/958256964.db2.gz	KPNZXRFLPAOUJS-QCFAMHMHSA-N	1	0	362.514	1.935	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)c3cccnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093453101	958261852	/nfs/dbraw/zinc/26/18/52/958261852.db2.gz	TVBFHDNDKCSICH-YXTQBTIXSA-N	1	0	369.509	1.959	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C4CC4)on3)[C@H]2C(C)C)C[C@H]1O	ZINC001093454239	958266297	/nfs/dbraw/zinc/26/62/97/958266297.db2.gz	AOOLMWLBGMNGPZ-HBXLWWENSA-N	1	0	357.454	1.765	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnc(OC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093456931	958279082	/nfs/dbraw/zinc/27/90/82/958279082.db2.gz	HFGBZZJHVFDLKT-NNFUDEMPSA-N	1	0	360.458	1.251	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C(N)=O)o3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093457448	958280009	/nfs/dbraw/zinc/28/00/09/958280009.db2.gz	JRJYXTMKTYJAMV-ICLOAJAWSA-N	1	0	361.442	1.144	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnc(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093477975	958291732	/nfs/dbraw/zinc/29/17/32/958291732.db2.gz	BATPDHWFDYAJPS-FTEYMNFISA-N	1	0	358.486	1.941	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3csc(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093478590	958295293	/nfs/dbraw/zinc/29/52/93/958295293.db2.gz	RJPSCTONYJMCSG-PSBWJHGTSA-N	1	0	361.511	1.593	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)noc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093479423	958298432	/nfs/dbraw/zinc/29/84/32/958298432.db2.gz	UIOIZLYRWXQNNL-YZDADXEPSA-N	1	0	359.470	1.758	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(OC)nc3)C[C@H]21	ZINC000962020197	1013173142	/nfs/dbraw/zinc/17/31/42/1013173142.db2.gz	XKSLDXLBATYTHL-APWQULEDSA-N	1	0	357.454	1.618	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C(=O)N(C)C)c2)[C@H](C)C1	ZINC001093673770	958518876	/nfs/dbraw/zinc/51/88/76/958518876.db2.gz	XHKMWTNTRGTPNN-IIDMSEBBSA-N	1	0	356.470	1.732	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1nc(C(F)F)no1	ZINC001093699976	958566559	/nfs/dbraw/zinc/56/65/59/958566559.db2.gz	SRFZFFSPZUZNAV-MWLCHTKSSA-N	1	0	364.356	1.705	20	30		FDEDRO
C#C[C@@H](NCC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CCCO1	ZINC000775783739	972359051	/nfs/dbraw/zinc/35/90/51/972359051.db2.gz	CZVAPZFMRAWQOR-MOPGFXCFSA-N	1	0	369.465	1.309	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3nccs3)c2)C1	ZINC001197682640	972359105	/nfs/dbraw/zinc/35/91/05/972359105.db2.gz	XZYSIBVUCHCELL-BPLDGKMQSA-N	1	0	361.471	1.458	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+][C@@H]1CCN(C2CCC2)C1=O	ZINC001093725364	958605709	/nfs/dbraw/zinc/60/57/09/958605709.db2.gz	IQXRNMVFXBFQIJ-DDUZABMNSA-N	1	0	369.469	1.337	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1)n1cncn1	ZINC001093725485	958607786	/nfs/dbraw/zinc/60/77/86/958607786.db2.gz	LWRHDCKFTCPIRX-RVKKMQEKSA-N	1	0	352.442	1.595	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3cc[nH]c3CC)C[C@H]2C)C1=O	ZINC001093750965	958674231	/nfs/dbraw/zinc/67/42/31/958674231.db2.gz	CVIXFPSRBFBSGJ-RKVPGOIHSA-N	1	0	358.486	1.662	20	30		FDEDRO
CCn1nncc1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)[C@H](C)C1	ZINC001093756149	958687830	/nfs/dbraw/zinc/68/78/30/958687830.db2.gz	BBHZSSUQQQGLDJ-CZUORRHYSA-N	1	0	370.432	1.807	20	30		FDEDRO
CNC(=O)c1cccc(C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)c1	ZINC001093762031	958701020	/nfs/dbraw/zinc/70/10/20/958701020.db2.gz	JWJJGJAARCJWTR-DNVCBOLYSA-N	1	0	353.466	1.644	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C3C=CC=CC=C3)C[C@H]2C)C1=O	ZINC001093797340	958810926	/nfs/dbraw/zinc/81/09/26/958810926.db2.gz	ODTTUJQLUMAAMA-QRQLOZEOSA-N	1	0	355.482	1.756	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnc(C)nc2)[C@H](C)C1	ZINC001093778913	958875908	/nfs/dbraw/zinc/87/59/08/958875908.db2.gz	PIIQCXJWGSXZKE-AXUOBQJMSA-N	1	0	358.486	1.950	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1	ZINC001093832985	958927425	/nfs/dbraw/zinc/92/74/25/958927425.db2.gz	LUQNVIGDKYSFKG-UIFIKXQLSA-N	1	0	364.493	1.840	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093883130	959109040	/nfs/dbraw/zinc/10/90/40/959109040.db2.gz	HFSMLZDYMAJNHC-ZTFGCOKTSA-N	1	0	354.454	1.269	20	30		FDEDRO
COC(=O)[C@H](CCc1cn(C)cn1)NC(=S)Nc1cccc(C#N)c1	ZINC001197746010	972411276	/nfs/dbraw/zinc/41/12/76/972411276.db2.gz	DUFUBPVSZOSRQD-HNNXBMFYSA-N	1	0	357.439	1.753	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3csnn3)C[C@H]2C)cc1C#N	ZINC001093947103	959318015	/nfs/dbraw/zinc/31/80/15/959318015.db2.gz	SDEVAMJYYRABGA-IUODEOHRSA-N	1	0	371.466	1.916	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2csnn2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001093947154	959318465	/nfs/dbraw/zinc/31/84/65/959318465.db2.gz	UXBMMVRYFDWITB-UKRRQHHQSA-N	1	0	371.466	1.938	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093963133	959371045	/nfs/dbraw/zinc/37/10/45/959371045.db2.gz	XBBJOLOZLDNLKC-LZQZEXGQSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)[C@H](C)C1	ZINC001093965712	959374686	/nfs/dbraw/zinc/37/46/86/959374686.db2.gz	KKUBTEIPRVNYCA-OWCLPIDISA-N	1	0	356.532	1.708	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093936113	959394199	/nfs/dbraw/zinc/39/41/99/959394199.db2.gz	BMPYUAUIDCHQGX-ZTQAJYAQSA-N	1	0	354.454	1.269	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001094008148	959503371	/nfs/dbraw/zinc/50/33/71/959503371.db2.gz	INUGUKZJRAAKGD-IUODEOHRSA-N	1	0	358.417	1.147	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3conc3CC)C[C@H]2C)C1=O	ZINC001094023071	959541331	/nfs/dbraw/zinc/54/13/31/959541331.db2.gz	FOBZYEZCTCEZOI-CPUCHLNUSA-N	1	0	360.458	1.322	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+][C@H](C)c3csnn3)[C@H](C)C2)c1	ZINC001094027811	959549064	/nfs/dbraw/zinc/54/90/64/959549064.db2.gz	GAQMWBYJRGYTNB-XJKCOSOUSA-N	1	0	355.467	1.973	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3nc(N(C)C)no3)[C@H](C)C2)c1	ZINC001094028034	959549807	/nfs/dbraw/zinc/54/98/07/959549807.db2.gz	OFOROXSCQSYDQQ-CZUORRHYSA-N	1	0	368.441	1.010	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]C[C@H]3CCc4ncnn43)[C@H](C)C2)c1	ZINC001094028047	959550042	/nfs/dbraw/zinc/55/00/42/959550042.db2.gz	PHKRYRHHUIXWHT-ZTFGCOKTSA-N	1	0	364.453	1.140	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3nnc(C4CC4)[nH]3)[C@H](C)C2)c1	ZINC001094028190	959550429	/nfs/dbraw/zinc/55/04/29/959550429.db2.gz	VHMFGBLULFAANH-CXAGYDPISA-N	1	0	364.453	1.556	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nccn3C)[C@H](C)C2)cc1	ZINC001094093632	959764081	/nfs/dbraw/zinc/76/40/81/959764081.db2.gz	YUQYJIPBVSTHME-SJLPKXTDSA-N	1	0	366.465	1.930	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3ncccn3)C[C@H]2C)cc1C#N	ZINC001094126128	959833632	/nfs/dbraw/zinc/83/36/32/959833632.db2.gz	ZDWDPMPKWHPFJJ-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CC)[C@H](C)C1	ZINC001094103332	959884988	/nfs/dbraw/zinc/88/49/88/959884988.db2.gz	LXFLSHUETDIIKR-CBZIJGRNSA-N	1	0	361.490	1.463	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cc3nnc[nH]3)C[C@H]2C)cc1C#N	ZINC001094156914	959926966	/nfs/dbraw/zinc/92/69/66/959926966.db2.gz	OJXHRPZCFHSOBO-CZUORRHYSA-N	1	0	368.441	1.112	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1C	ZINC001094157191	959928349	/nfs/dbraw/zinc/92/83/49/959928349.db2.gz	ZIRRHBKBHFCFSY-CZUORRHYSA-N	1	0	368.441	1.112	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](C)c3nc(C)no3)[C@H](C)C2)nc1	ZINC001094174333	959977486	/nfs/dbraw/zinc/97/74/86/959977486.db2.gz	GYNNERBNUODGDA-XJKCOSOUSA-N	1	0	353.426	1.813	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cnnn3CC)[C@H](C)C2)cn1	ZINC001094174674	959978407	/nfs/dbraw/zinc/97/84/07/959978407.db2.gz	OJWDDXNRRONXND-GDBMZVCRSA-N	1	0	352.442	1.172	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001094176488	959981820	/nfs/dbraw/zinc/98/18/20/959981820.db2.gz	NPKRJYCKVRHEFM-VMGRFDJRSA-N	1	0	358.417	1.160	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001094223843	960055870	/nfs/dbraw/zinc/05/58/70/960055870.db2.gz	DHWYOURUXPDIQQ-CXAGYDPISA-N	1	0	365.437	1.483	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)C2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001094244344	960173245	/nfs/dbraw/zinc/17/32/45/960173245.db2.gz	PBODJFMMKOPYAL-ATZDWAIDSA-N	1	0	368.481	1.611	20	30		FDEDRO
C#C[C@@H](NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCO1	ZINC000775791433	972492119	/nfs/dbraw/zinc/49/21/19/972492119.db2.gz	MJWQKNDVCBLODY-UXHICEINSA-N	1	0	355.482	1.669	20	30		FDEDRO
C#C[C@H]([NH2+][C@@H](C)C(=O)NCCc1ccc(OC)c(OC)c1)[C@H]1CCCO1	ZINC000775790828	972499049	/nfs/dbraw/zinc/49/90/49/972499049.db2.gz	JCIZTLHFIRGMDR-BHYGNILZSA-N	1	0	360.454	1.521	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@@]3(CNC(=O)c4cn(C)cn4)CCC[C@@H]23)C1=O	ZINC001094391414	960335749	/nfs/dbraw/zinc/33/57/49/960335749.db2.gz	HXXWNBQWTHKWRR-SQGPQFPESA-N	1	0	371.485	1.181	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC(=O)N(CC(C)C)C3)CCC[C@@H]12	ZINC001094427545	960428903	/nfs/dbraw/zinc/42/89/03/960428903.db2.gz	USYYPJKCIKPWQS-WAOWUJCRSA-N	1	0	359.514	1.875	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cn(-c4cccnc4)nn3)CCC[C@@H]12	ZINC001094429403	960433011	/nfs/dbraw/zinc/43/30/11/960433011.db2.gz	KSZQXRVOGLPQDI-UYAOXDASSA-N	1	0	364.453	1.660	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3[nH]c(C)c(C(N)=O)c3CC)CCC[C@@H]12	ZINC001094433155	960443413	/nfs/dbraw/zinc/44/34/13/960443413.db2.gz	UGQFWPGXSOHEDM-IIBYNOLFSA-N	1	0	370.497	1.982	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=O)CC23CCC[NH+]2CCC3)C[C@H]1C#N	ZINC001181108975	960575542	/nfs/dbraw/zinc/57/55/42/960575542.db2.gz	MDVFDTOLYYOOFY-OAHLLOKOSA-N	1	0	362.474	1.976	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCN(CC(F)(F)F)C3)CCC[C@@H]12	ZINC001094496814	960609977	/nfs/dbraw/zinc/60/99/77/960609977.db2.gz	JCUXFHGOECILFF-ZMSDIMECSA-N	1	0	357.420	1.865	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4nnn(C)c4C3)CCC[C@@H]12	ZINC001094498147	960616426	/nfs/dbraw/zinc/61/64/26/960616426.db2.gz	ZCKMCVYSOZGCBB-QKYXUNIQSA-N	1	0	357.502	1.857	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cc4c(=O)[nH]c(C)cn4n3)CCC[C@@H]12	ZINC001094477308	960648438	/nfs/dbraw/zinc/64/84/38/960648438.db2.gz	AKNDOSBFGHZKJA-YLJYHZDGSA-N	1	0	369.469	1.882	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4nnnn4CC3)CCC[C@@H]12	ZINC001094518322	960713926	/nfs/dbraw/zinc/71/39/26/960713926.db2.gz	CJHYGDPGUYRCDA-FRQCXROJSA-N	1	0	356.474	1.010	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(C)C)CC2	ZINC001094534776	960752367	/nfs/dbraw/zinc/75/23/67/960752367.db2.gz	NTTZQWKCYNDDQV-WBQJQJEBSA-N	1	0	363.502	1.417	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)c4nnc[nH]4)CCC[C@@H]23)cc1F	ZINC001094538882	960772981	/nfs/dbraw/zinc/77/29/81/960772981.db2.gz	SLCCWHFOIUFDQB-VQIMIIECSA-N	1	0	368.416	1.990	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@@H]4CCC(=O)N4)CCC[C@@H]23)cc1	ZINC001094564134	960824151	/nfs/dbraw/zinc/82/41/51/960824151.db2.gz	WHMNLWIWTNCTIY-WAOWUJCRSA-N	1	0	366.465	1.698	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCn2cncn2)C1	ZINC001181499350	960877294	/nfs/dbraw/zinc/87/72/94/960877294.db2.gz	BDQIHCRYXYFWCY-VXIBKDFQSA-N	1	0	361.490	1.334	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCS3(=O)=O)CCC[C@@H]12	ZINC001094581670	960879206	/nfs/dbraw/zinc/87/92/06/960879206.db2.gz	CPICTJHIRXWWSX-JFIYKMOQSA-N	1	0	354.516	1.891	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(N)=O)CC2	ZINC001094556536	960908544	/nfs/dbraw/zinc/90/85/44/960908544.db2.gz	XJBHBHWYZDYUDQ-DNVCBOLYSA-N	1	0	358.442	1.106	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(C(N)=O)n3)CCC[C@@H]12	ZINC001094586582	960951785	/nfs/dbraw/zinc/95/17/85/960951785.db2.gz	OYUYXQQZDCQZDH-CRAIPNDOSA-N	1	0	362.861	1.907	20	30		FDEDRO
C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1	ZINC000773947141	961116954	/nfs/dbraw/zinc/11/69/54/961116954.db2.gz	CIAZPQOKJNAWNT-HNNXBMFYSA-N	1	0	359.495	1.697	20	30		FDEDRO
N#Cc1ccccc1CC(=O)N1CCCn2nnc(Cn3ccnc3)c2C1	ZINC001181799401	961120423	/nfs/dbraw/zinc/12/04/23/961120423.db2.gz	YCRJSMYQMPURND-UHFFFAOYSA-N	1	0	361.409	1.370	20	30		FDEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)Cc1ccccc1C#N)CC2	ZINC001181798403	961120602	/nfs/dbraw/zinc/12/06/02/961120602.db2.gz	IDWWXTZMFCROSD-UHFFFAOYSA-N	1	0	354.454	1.304	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C[C@H]1C	ZINC001181913547	961258871	/nfs/dbraw/zinc/25/88/71/961258871.db2.gz	GCLHBXMFLYHDCR-HGTKMLMNSA-N	1	0	364.408	1.983	20	30		FDEDRO
C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C[C@H]1C	ZINC001181913608	961259201	/nfs/dbraw/zinc/25/92/01/961259201.db2.gz	HZQBLPMNOTUTOG-GUIRCDHDSA-N	1	0	350.381	1.593	20	30		FDEDRO
C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1	ZINC001171856279	961326726	/nfs/dbraw/zinc/32/67/26/961326726.db2.gz	SBHRHPVVBZBOHJ-KFWWJZLASA-N	1	0	359.898	1.817	20	30		FDEDRO
C=CCOC[C@H]1CCC[C@@]12CN(C(=O)C1(O)CC[NH+](C)CC1)CCO2	ZINC001182032838	961351069	/nfs/dbraw/zinc/35/10/69/961351069.db2.gz	UZVVUVFDQCDFSQ-VQIMIIECSA-N	1	0	352.475	1.043	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@@H]2COC[C@]2(COCC(=O)N(C)C)C1	ZINC001172305427	961615202	/nfs/dbraw/zinc/61/52/02/961615202.db2.gz	SJOUBZWBRBIJBI-BSIFCXSSSA-N	1	0	371.481	1.542	20	30		FDEDRO
CNC(=O)CN1C(=O)CC[C@]12CCC[N@@H+]([C@@H](C)Cc1ccc(C#N)cc1)C2	ZINC001172304527	961615530	/nfs/dbraw/zinc/61/55/30/961615530.db2.gz	NSPCAVDFKOLUNE-KKSFZXQISA-N	1	0	368.481	1.692	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCn2nnc(Cn3cnnc3)c2C1	ZINC001172305983	961617139	/nfs/dbraw/zinc/61/71/39/961617139.db2.gz	BBPLWBYSUDGHMS-HNNXBMFYSA-N	1	0	362.441	1.626	20	30		FDEDRO
C=CCN1CCC[C@@H]([NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)C1=O	ZINC001172885959	961816781	/nfs/dbraw/zinc/81/67/81/961816781.db2.gz	AATWNFVNMINVSC-MRXNPFEDSA-N	1	0	351.491	1.559	20	30		FDEDRO
C=CCOC(=O)N1CC[NH+](C2CCN(CC(=O)OC(C)(C)C)CC2)CC1	ZINC001172894776	961826206	/nfs/dbraw/zinc/82/62/06/961826206.db2.gz	ZLYBZAZSVKAXKE-UHFFFAOYSA-N	1	0	367.490	1.733	20	30		FDEDRO
CNC(=O)C1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1	ZINC001172980847	961865181	/nfs/dbraw/zinc/86/51/81/961865181.db2.gz	QEGTUFGONBNXLC-GJZGRUSLSA-N	1	0	350.463	1.736	20	30		FDEDRO
N#CCC1CCC([N@@H+]2C[C@@H](NC(=O)c3cnccn3)[C@H]3COC[C@H]32)CC1	ZINC001173332605	962006524	/nfs/dbraw/zinc/00/65/24/962006524.db2.gz	CIWWVZPOSBGFHV-RTHYRTHZSA-N	1	0	355.442	1.378	20	30		FDEDRO
CNC(=O)CN1CCOC[C@]2(CCC[N@@H+](C3CCC(CC#N)CC3)C2)C1	ZINC001173336029	962008251	/nfs/dbraw/zinc/00/82/51/962008251.db2.gz	KZESDLOFWABTKA-AFMYVXGZSA-N	1	0	362.518	1.619	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1	ZINC000637254262	1013304194	/nfs/dbraw/zinc/30/41/94/1013304194.db2.gz	NBSIUNZSZIPCEP-SFHVURJKSA-N	1	0	359.470	1.347	20	30		FDEDRO
C=CCOC1CCC([N@@H+]2CCCn3nnc(Cn4cnnc4)c3C2)CC1	ZINC001173320491	962022030	/nfs/dbraw/zinc/02/20/30/962022030.db2.gz	OTAFBQMLZREUJW-UHFFFAOYSA-N	1	0	357.462	1.637	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+][C@@]3(CN)CN4CCC3CC4)CC2)cc1	ZINC001173424569	962127988	/nfs/dbraw/zinc/12/79/88/962127988.db2.gz	ITXFQUUJBMSDHI-NRFANRHFSA-N	1	0	367.497	1.176	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+]Cc3cc4n(n3)CCCO4)CC2)cc1	ZINC001173428494	962143895	/nfs/dbraw/zinc/14/38/95/962143895.db2.gz	IEQGOHXCGBPQHL-UHFFFAOYSA-N	1	0	365.437	1.932	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+]C[C@H](O)c3ccncc3)CC2)cc1	ZINC001173429668	962146449	/nfs/dbraw/zinc/14/64/49/962146449.db2.gz	UUDHQHTUIHWDDW-IBGZPJMESA-N	1	0	350.422	1.881	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC(N(c3ncccn3)C3C[NH2+]C3)CC2)cc1	ZINC001173434815	962157153	/nfs/dbraw/zinc/15/71/53/962157153.db2.gz	QVSMGHIRVXGRMA-UHFFFAOYSA-N	1	0	362.437	1.431	20	30		FDEDRO
CC1(C)CC(NC(=O)C(=O)NCc2cc(C#N)ccc2F)CC(C)(C)[NH2+]1	ZINC000774496188	962248168	/nfs/dbraw/zinc/24/81/68/962248168.db2.gz	YQGUKLXBACQJNH-UHFFFAOYSA-N	1	0	360.433	1.739	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2cc(C)n(C)n2)C1	ZINC001182669179	962380419	/nfs/dbraw/zinc/38/04/19/962380419.db2.gz	HYHISYUUKBYVLU-XUMLPFHTSA-N	1	0	360.502	1.894	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2cnnn2CC)C1	ZINC001182684324	962430671	/nfs/dbraw/zinc/43/06/71/962430671.db2.gz	AVNLVOWFHDWKDF-VYCZESIESA-N	1	0	361.490	1.463	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2nncn2C)C1	ZINC001182869855	962615780	/nfs/dbraw/zinc/61/57/80/962615780.db2.gz	YANPEVJDUIPRNG-WXSAJPJJSA-N	1	0	361.490	1.371	20	30		FDEDRO
N#Cc1ccc(OCC(=O)N2CCN(CCc3ccccn3)CC2)cc1	ZINC001182914061	962658127	/nfs/dbraw/zinc/65/81/27/962658127.db2.gz	YYKGMKMBPNIVQG-UHFFFAOYSA-N	1	0	350.422	1.719	20	30		FDEDRO
Cc1cc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(C#N)c[nH]2)C3)n1	ZINC001095283675	962769177	/nfs/dbraw/zinc/76/91/77/962769177.db2.gz	SJUGSXQEYRLCIC-RYRKJORJSA-N	1	0	352.442	1.735	20	30		FDEDRO
C#C[C@H](NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@H]1CCCO1	ZINC000773435029	962995251	/nfs/dbraw/zinc/99/52/51/962995251.db2.gz	GUVATGILZZKSPY-CEXWTWQISA-N	1	0	357.454	1.233	20	30		FDEDRO
C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC[C@H]1CCCCO1	ZINC001110182164	963084713	/nfs/dbraw/zinc/08/47/13/963084713.db2.gz	YRCHYIGCEZLVQL-YRXWBPOGSA-N	1	0	366.502	1.886	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc2c(c1)nnn2C	ZINC001110183368	963101597	/nfs/dbraw/zinc/10/15/97/963101597.db2.gz	SLWLGSURAPIROW-YBKUAAOGSA-N	1	0	369.469	1.781	20	30		FDEDRO
C[C@H](CCCC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)[C@H]1C[C@H]1C(N)=O	ZINC001175287897	963122827	/nfs/dbraw/zinc/12/28/27/963122827.db2.gz	HPMWQQFEBUSVFR-WQVCFCJDSA-N	1	0	360.433	1.583	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NCC(C)C	ZINC001175364514	963167808	/nfs/dbraw/zinc/16/78/08/963167808.db2.gz	ALXXGUIUCOTPST-BBWFWOEESA-N	1	0	353.507	1.614	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1cc(-n2cnnn2)ccc1Cl	ZINC000650079578	1013401636	/nfs/dbraw/zinc/40/16/36/1013401636.db2.gz	GFWGMRYOAXXYMH-HIFRSBDPSA-N	1	0	362.821	1.577	20	30		FDEDRO
C=C1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)n2c(C)ncc(C[NH3+])c2=N)C1	ZINC001183624618	963196902	/nfs/dbraw/zinc/19/69/02/963196902.db2.gz	FLIHQGZBUUUXQT-SFHVURJKSA-N	1	0	361.446	1.726	20	30		FDEDRO
C#CC[C@]1(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)CCCN1C(=O)OC(C)(C)C	ZINC001184103459	963430609	/nfs/dbraw/zinc/43/06/09/963430609.db2.gz	DEEIEKRFYSPMSE-GQIGUUNPSA-N	1	0	361.486	1.799	20	30		FDEDRO
COC(=O)[C@@H](c1ccc(C#N)cc1)N(C)CC[N@H+](C)C1CCN(C)CC1	ZINC000774732802	963499085	/nfs/dbraw/zinc/49/90/85/963499085.db2.gz	ZISDKKLWBNKDQV-LJQANCHMSA-N	1	0	358.486	1.730	20	30		FDEDRO
C=CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1cc(=O)oc2cc3c(cc12)OCO3	ZINC001184233333	963501072	/nfs/dbraw/zinc/50/10/72/963501072.db2.gz	CFACZRBXPNUJRM-AWEZNQCLSA-N	1	0	370.405	1.831	20	30		FDEDRO
C=C(CC(=O)OCCCC)C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2	ZINC001184308267	963529895	/nfs/dbraw/zinc/52/98/95/963529895.db2.gz	OIXZHDNUMASTGP-CALCHBBNSA-N	1	0	350.459	1.598	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)NCc1cc(C#N)ccc1F)c1cccs1	ZINC000774855061	963901251	/nfs/dbraw/zinc/90/12/51/963901251.db2.gz	JZPAWZYMILOPKU-OAHLLOKOSA-N	1	0	374.441	1.794	20	30		FDEDRO
CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)Cc2ccnc(C#N)c2)CC1	ZINC001177667043	963920562	/nfs/dbraw/zinc/92/05/62/963920562.db2.gz	MFXYNKOXNVWVCS-UHFFFAOYSA-N	1	0	369.469	1.041	20	30		FDEDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)C#Cc1cccnc1)C2	ZINC001177777010	963949111	/nfs/dbraw/zinc/94/91/11/963949111.db2.gz	JDNAZLYEPJWRKG-TZIWHRDSSA-N	1	0	353.466	1.640	20	30		FDEDRO
C[NH+](C)C1CN(C(=O)c2cc(C#N)ccc2I)C1	ZINC001185782076	964099426	/nfs/dbraw/zinc/09/94/26/964099426.db2.gz	XAMRSLWLHQJITK-UHFFFAOYSA-N	1	0	355.179	1.549	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)CC1	ZINC000774939444	964130023	/nfs/dbraw/zinc/13/00/23/964130023.db2.gz	KDSJPIKPXFTCKD-AWEZNQCLSA-N	1	0	351.397	1.716	20	30		FDEDRO
C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)C#Cc2ccc(F)cc2F)C1	ZINC001178570227	964306262	/nfs/dbraw/zinc/30/62/62/964306262.db2.gz	SUNDWZADVMEMCG-CQSZACIVSA-N	1	0	358.392	1.733	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)COCCOC)C1	ZINC001186180031	964331913	/nfs/dbraw/zinc/33/19/13/964331913.db2.gz	JNBNHURBDCQULO-IEBWSBKVSA-N	1	0	362.445	1.644	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)C1	ZINC001186205640	964348033	/nfs/dbraw/zinc/34/80/33/964348033.db2.gz	BGEVYJOFIZXFPX-CEXWTWQISA-N	1	0	353.466	1.347	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O	ZINC001178750446	964425230	/nfs/dbraw/zinc/42/52/30/964425230.db2.gz	SMLGRXUNWNSZFP-ARFHVFGLSA-N	1	0	367.490	1.371	20	30		FDEDRO
C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC12CCOCC2	ZINC001186402274	964473939	/nfs/dbraw/zinc/47/39/39/964473939.db2.gz	KCBPYOWDMIORRW-GVDBMIGSSA-N	1	0	358.486	1.934	20	30		FDEDRO
C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC12CCOCC2	ZINC001186402108	964474473	/nfs/dbraw/zinc/47/44/73/964474473.db2.gz	FWOZWJFHPSPJPH-GVDBMIGSSA-N	1	0	356.470	1.381	20	30		FDEDRO
C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC12CCOCC2	ZINC001186423736	964503061	/nfs/dbraw/zinc/50/30/61/964503061.db2.gz	AMSTYPMTIWFOJR-CADBVGFASA-N	1	0	360.498	1.670	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC12CCOCC2	ZINC001186494035	964521552	/nfs/dbraw/zinc/52/15/52/964521552.db2.gz	IEVKICSQTYRUDP-ZACQAIPSSA-N	1	0	363.502	1.132	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)CC12CCOCC2	ZINC001186505783	964534199	/nfs/dbraw/zinc/53/41/99/964534199.db2.gz	WGLBKWKFUHQXGD-KZNAEPCWSA-N	1	0	370.497	1.392	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccnc2)CC12CCOCC2	ZINC001186511154	964538052	/nfs/dbraw/zinc/53/80/52/964538052.db2.gz	CCCGXDSDVSDYPD-CEXWTWQISA-N	1	0	353.466	1.663	20	30		FDEDRO
CC(=O)N1CCC([NH+]2CCC(C(=O)NCc3ccc(C#N)nc3)CC2)CC1	ZINC001179018054	964587680	/nfs/dbraw/zinc/58/76/80/964587680.db2.gz	WIOZXBXKPSWDHT-UHFFFAOYSA-N	1	0	369.469	1.292	20	30		FDEDRO
COCC#CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1C1CCOCC1	ZINC001179006952	964618937	/nfs/dbraw/zinc/61/89/37/964618937.db2.gz	YICRFWAKXPUEIJ-RBUKOAKNSA-N	1	0	350.503	1.965	20	30		FDEDRO
C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	ZINC001179097167	964718860	/nfs/dbraw/zinc/71/88/60/964718860.db2.gz	FAMSFQXDJWNAEZ-MOPGFXCFSA-N	1	0	367.534	1.709	20	30		FDEDRO
C[NH+](C)CCn1c2cc(C(=O)NCc3nc(C#N)cs3)ccc2[nH]c1=O	ZINC001179377963	964853958	/nfs/dbraw/zinc/85/39/58/964853958.db2.gz	MATHVPQDAGPCPR-UHFFFAOYSA-N	1	0	370.438	1.562	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2c(C)nn(C)c2Cl)C1	ZINC000962321821	1013530477	/nfs/dbraw/zinc/53/04/77/1013530477.db2.gz	OKKWBNKTZDUIPL-MNSOJDNVSA-N	1	0	366.893	1.957	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCNC(=O)NC(C)(C)C)[C@@H]1C	ZINC001179565795	964901332	/nfs/dbraw/zinc/90/13/32/964901332.db2.gz	OIOCCVMKPHCRSG-FZKCQIBNSA-N	1	0	366.506	1.254	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCc2ccccc2)[C@@H]1C	ZINC001179565337	964901622	/nfs/dbraw/zinc/90/16/22/964901622.db2.gz	DTWDDOWVVSLZOZ-NQYYFHDYSA-N	1	0	371.481	1.473	20	30		FDEDRO
N#C[C@H]1C[C@H]1C(=O)N([C@@H]1CCC12CC[NH2+]CC2)S(=O)(=O)c1ccccc1	ZINC001186976105	964919682	/nfs/dbraw/zinc/91/96/82/964919682.db2.gz	UDAFUYWAGJGFLF-DJIMGWMZSA-N	1	0	373.478	1.896	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+]CC(=O)N(C)C1CC1	ZINC001179634764	964941065	/nfs/dbraw/zinc/94/10/65/964941065.db2.gz	ZJFQWJIUXQAXKY-SJORKVTESA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C)c2)[C@H]1C	ZINC001179691770	964945553	/nfs/dbraw/zinc/94/55/53/964945553.db2.gz	AADSGJMQNRDGSX-KANFNMMFSA-N	1	0	355.482	1.980	20	30		FDEDRO
C[C@@H](C#N)C(=O)N([C@H]1CCC12CC[NH2+]CC2)S(=O)(=O)c1ccccc1	ZINC001179888691	965015375	/nfs/dbraw/zinc/01/53/75/965015375.db2.gz	AKNTVWDCMSITOP-HOCLYGCPSA-N	1	0	361.467	1.896	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C(N)=O)cc3)C[C@H]21	ZINC001187217116	965136929	/nfs/dbraw/zinc/13/69/29/965136929.db2.gz	LNTHOSWMULEJKA-ZYSHUDEJSA-N	1	0	371.481	1.799	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)N3CCCCCC3)C[C@H]21	ZINC001187281625	965162480	/nfs/dbraw/zinc/16/24/80/965162480.db2.gz	XNWBZUWBHHSTSL-FGTMMUONSA-N	1	0	363.502	1.513	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)c3ccc(F)cc3F)C[C@H]21	ZINC001187281590	965162935	/nfs/dbraw/zinc/16/29/35/965162935.db2.gz	WPVFAHLDNPWJFV-MORSLUCNSA-N	1	0	366.408	1.734	20	30		FDEDRO
C=C(C)C(=O)OCCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)OC	ZINC001180408810	965313772	/nfs/dbraw/zinc/31/37/72/965313772.db2.gz	PJWCBSKLFDPSLA-DLBZAZTESA-N	1	0	374.437	1.143	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C)C[C@H]21	ZINC001187598165	965517010	/nfs/dbraw/zinc/51/70/10/965517010.db2.gz	GNMRXUYZPJMBHN-MAUKXSAKSA-N	1	0	357.429	1.306	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3C[N@H+](CCOC[C@H]4CCCO4)C[C@H]32)c[nH]1	ZINC001187569379	965534870	/nfs/dbraw/zinc/53/48/70/965534870.db2.gz	JLYCWBAQKNHBIO-BMGDILEWSA-N	1	0	358.442	1.228	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21	ZINC001187736282	965693948	/nfs/dbraw/zinc/69/39/48/965693948.db2.gz	BVXPGULJWQBMFT-YESZJQIVSA-N	1	0	352.500	1.147	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+]([C@H](C)C(=O)NC)CC2	ZINC000957608623	1013595639	/nfs/dbraw/zinc/59/56/39/1013595639.db2.gz	WFBKTTUZWOFLPC-ZACQAIPSSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C(N)=O)c3)C[C@H]21	ZINC001187763869	965730396	/nfs/dbraw/zinc/73/03/96/965730396.db2.gz	VQQYOUMLVHFYIF-QKLQHJQFSA-N	1	0	357.454	1.145	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](C[C@H](O)COc3ccccc3)C[C@H]21	ZINC001187820609	965763257	/nfs/dbraw/zinc/76/32/57/965763257.db2.gz	PCOBITGCERMTJN-CMKODMSKSA-N	1	0	354.450	1.372	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](CCc3ccc(OC)cc3)C[C@H]21	ZINC001187866067	965810960	/nfs/dbraw/zinc/81/09/60/965810960.db2.gz	YCOYYBTZPZFXDP-IMFGXOCKSA-N	1	0	356.466	1.809	20	30		FDEDRO
Cc1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1	ZINC001187833531	965826728	/nfs/dbraw/zinc/82/67/28/965826728.db2.gz	RPLGNORMUFFODA-SLFFLAALSA-N	1	0	368.477	1.681	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(COC)cc3)C[C@H]21	ZINC001187874151	965868157	/nfs/dbraw/zinc/86/81/57/965868157.db2.gz	MRAMJSYOWWWGRQ-VQTJNVASSA-N	1	0	356.466	1.906	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccnc(N(C)C)c3)C[C@H]21	ZINC001187881573	965878904	/nfs/dbraw/zinc/87/89/04/965878904.db2.gz	AEFGPJXKOZYYOK-BPQIPLTHSA-N	1	0	356.470	1.219	20	30		FDEDRO
C=CCCOCCCCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21	ZINC001187919537	965903563	/nfs/dbraw/zinc/90/35/63/965903563.db2.gz	KGTQNWDGDHWZFK-OKZBNKHCSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cc(C)on1)C2	ZINC001110397306	965960751	/nfs/dbraw/zinc/96/07/51/965960751.db2.gz	CEELGEJOQJQLEZ-KURKYZTESA-N	1	0	372.469	1.448	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)COCCOC)C[C@H]21	ZINC001188033162	965982015	/nfs/dbraw/zinc/98/20/15/965982015.db2.gz	DDOYZUUPWRIQMR-GBESFXJTSA-N	1	0	366.502	1.311	20	30		FDEDRO
C=C(C)CCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(c4ccn(C)n4)C3=O)C[C@H]21	ZINC001188086809	965997667	/nfs/dbraw/zinc/99/76/67/965997667.db2.gz	BNCCYOFVGBWIJG-GVDBMIGSSA-N	1	0	371.485	1.414	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CN(C)S(C)(=O)=O)[C@@H]2C1	ZINC001188102622	966012789	/nfs/dbraw/zinc/01/27/89/966012789.db2.gz	NRPXRYKJAHITMH-JKSUJKDBSA-N	1	0	357.520	1.157	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC000964463232	1013618698	/nfs/dbraw/zinc/61/86/98/1013618698.db2.gz	NCVVZXKNNVFLKX-SOLBZPMBSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3ccsc3)[C@@H]2C1	ZINC001188205713	966123355	/nfs/dbraw/zinc/12/33/55/966123355.db2.gz	UKDQVMHRYJQSJJ-HYVNUMGLSA-N	1	0	361.511	1.904	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cnccc3C)[C@@H]2C1	ZINC001188231695	966142573	/nfs/dbraw/zinc/14/25/73/966142573.db2.gz	YAYOKNIBPDRXIL-SOLBZPMBSA-N	1	0	356.470	1.156	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cnn4ccc(C)cc34)[C@@H]2C1	ZINC001188262957	966167329	/nfs/dbraw/zinc/16/73/29/966167329.db2.gz	DBDBHRWXAOELNS-QFBILLFUSA-N	1	0	354.454	1.992	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cc(C)c(Cl)cn3)[C@@H]2C1	ZINC001188322988	966200778	/nfs/dbraw/zinc/20/07/78/966200778.db2.gz	PTGVMJCHIPWXDR-MAUKXSAKSA-N	1	0	361.873	1.768	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)C3CC4(C3)CS(=O)(=O)C4)[C@@H]2C1	ZINC001188329062	966206124	/nfs/dbraw/zinc/20/61/24/966206124.db2.gz	FDPYHCLRCQVQEY-GOEBONIOSA-N	1	0	352.500	1.310	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cn4c(n3)C[C@@H](C)CC4)[C@@H]2C1	ZINC001188329555	966208418	/nfs/dbraw/zinc/20/84/18/966208418.db2.gz	NGYLOVJCLZXKRB-XYJFISCASA-N	1	0	358.486	1.814	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC[C@H]3CN(CC(=O)N(C)CC)C[C@H]32)cc1	ZINC001188362879	966235216	/nfs/dbraw/zinc/23/52/16/966235216.db2.gz	NZLIQPISIDQQBT-PKOBYXMFSA-N	1	0	371.481	1.876	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cccc(CC)c3)[C@@H]2C1	ZINC001188368875	966240204	/nfs/dbraw/zinc/24/02/04/966240204.db2.gz	BHHLCQMCDUTECR-FFZOFVMBSA-N	1	0	367.493	1.462	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CC3CS(=O)(=O)C3)[C@@H]2C1	ZINC001188388552	966257207	/nfs/dbraw/zinc/25/72/07/966257207.db2.gz	RKTGIJSSJMLNNZ-DLBZAZTESA-N	1	0	356.532	1.924	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cnc4c(c3)NC(=O)CO4)[C@@H]2C1	ZINC001188455887	966327378	/nfs/dbraw/zinc/32/73/78/966327378.db2.gz	FJKAVWQUJDRZCC-JKIFEVAISA-N	1	0	370.453	1.914	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC000964506508	1013655466	/nfs/dbraw/zinc/65/54/66/1013655466.db2.gz	MNFVLFHZKUWRFJ-FVQBIDKESA-N	1	0	357.458	1.337	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](OCC)C3CCOCC3)[C@@H]2C1	ZINC001188714833	966530186	/nfs/dbraw/zinc/53/01/86/966530186.db2.gz	ISSXXFLTTYHHFJ-IPMKNSEASA-N	1	0	366.502	1.553	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)cc1	ZINC001188728290	966539588	/nfs/dbraw/zinc/53/95/88/966539588.db2.gz	AJEVMQHFIQFHHQ-GBESFXJTSA-N	1	0	362.433	1.729	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](CCCNS(=O)(=O)CC)C[C@H]21	ZINC001188884422	966614745	/nfs/dbraw/zinc/61/47/45/966614745.db2.gz	ISRUUKFDKDZWDV-IXDOHACOSA-N	1	0	371.547	1.451	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(=O)n4nccc4[nH]3)C[C@H]21	ZINC001188884428	966614753	/nfs/dbraw/zinc/61/47/53/966614753.db2.gz	IVWCSJFZFCHQFB-HLLBOEOZSA-N	1	0	369.469	1.658	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4cnc(C)n4C3)[C@@H]2C1	ZINC001188947981	966663408	/nfs/dbraw/zinc/66/34/08/966663408.db2.gz	APWNTYRRAXMESE-JENIJYKNSA-N	1	0	358.486	1.489	20	30		FDEDRO
CN1CC[NH+](CC2(C)CCN(S(=O)(=O)CC3(CC#N)CC3)CC2)CC1	ZINC001189057546	966724162	/nfs/dbraw/zinc/72/41/62/966724162.db2.gz	SDYWEEGSUYGWTA-UHFFFAOYSA-N	1	0	368.547	1.360	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3cncs3)[C@@H]2C1	ZINC001189144121	966790892	/nfs/dbraw/zinc/79/08/92/966790892.db2.gz	MOVVCVIPTRGHHZ-IJEWVQPXSA-N	1	0	362.499	1.299	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3nc(C)cc3C)[C@@H]2C1	ZINC001189284048	966871853	/nfs/dbraw/zinc/87/18/53/966871853.db2.gz	QCMXDBXMNLANGO-RBUKOAKNSA-N	1	0	358.486	1.463	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cn4nc(C)cc4[nH]c3=O)[C@@H]2C1	ZINC001189420375	966966564	/nfs/dbraw/zinc/96/65/64/966966564.db2.gz	YEOFTSAFLIRDCF-HLLBOEOZSA-N	1	0	369.469	1.832	20	30		FDEDRO
Cc1cc(C#N)ccc1C[N@H+](CCNC(=O)OC(C)(C)C)C[C@H](O)CO	ZINC000852179443	967059762	/nfs/dbraw/zinc/05/97/62/967059762.db2.gz	GMHRBHDKSPTAOJ-KRWDZBQOSA-N	1	0	363.458	1.547	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@](C#N)(c3ccccn3)C2)CC1	ZINC000852328424	967225373	/nfs/dbraw/zinc/22/53/73/967225373.db2.gz	DXCIRFIZHBUICR-OAQYLSRUSA-N	1	0	369.513	1.928	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cccc(COC)c3)[C@@H]2C1	ZINC001189755304	967229173	/nfs/dbraw/zinc/22/91/73/967229173.db2.gz	JHXWTKRGQFDFTM-VQTJNVASSA-N	1	0	356.466	1.558	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4ccnn4)cc3)[C@@H]2C1	ZINC001189756554	967232619	/nfs/dbraw/zinc/23/26/19/967232619.db2.gz	YJRVVVIMLSGCNK-PKOBYXMFSA-N	1	0	367.453	1.616	20	30		FDEDRO
CCOC(=O)C1=C(CNC(C)(C)c2cccc(C#N)c2)NC(=O)N[C@H]1C	ZINC000852354779	967246462	/nfs/dbraw/zinc/24/64/62/967246462.db2.gz	UMXKFJKCFOGXSX-LBPRGKRZSA-N	1	0	356.426	1.901	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4ccnc4)cn3)[C@@H]2C1	ZINC001189763156	967246682	/nfs/dbraw/zinc/24/66/82/967246682.db2.gz	JQLJHUBGOFXDIR-QFBILLFUSA-N	1	0	367.453	1.616	20	30		FDEDRO
C#CCC[NH+]1CCN(C[C@@H](O)COc2ccc(C(C)=O)cc2OC)CC1	ZINC000776592421	967278834	/nfs/dbraw/zinc/27/88/34/967278834.db2.gz	FRUUKXIKCWRGQS-GOSISDBHSA-N	1	0	360.454	1.278	20	30		FDEDRO
CCNC(=O)CCCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001189836515	967296122	/nfs/dbraw/zinc/29/61/22/967296122.db2.gz	SPJFAIWIVKPULX-RBUKOAKNSA-N	1	0	368.481	1.897	20	30		FDEDRO
C#C[C@H](NC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1)[C@@H]1CCCO1	ZINC000775329795	967332151	/nfs/dbraw/zinc/33/21/51/967332151.db2.gz	NQZSVVJJIXMSFR-PMACEKPBSA-N	1	0	355.482	1.804	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]32)cn1	ZINC001189852177	967356095	/nfs/dbraw/zinc/35/60/95/967356095.db2.gz	YNMZYZXWKLXRMC-VDZJLULYSA-N	1	0	368.481	1.465	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)/C=C\C1CC1)C2	ZINC001110421124	967457892	/nfs/dbraw/zinc/45/78/92/967457892.db2.gz	VYGJJQQTRVHBRR-QSBVKKKWSA-N	1	0	360.458	1.074	20	30		FDEDRO
C=CCNC(=O)C[NH+]1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1	ZINC000852602521	967459457	/nfs/dbraw/zinc/45/94/57/967459457.db2.gz	ZJTHUGMGAWXTGZ-CQSZACIVSA-N	1	0	361.408	1.802	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCCN3C(=O)CNC3=O)[C@@H]2C1	ZINC001190108098	967544263	/nfs/dbraw/zinc/54/42/63/967544263.db2.gz	OARXKFFECSKNLJ-HRCADAONSA-N	1	0	362.474	1.206	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)[C@@H]2C1	ZINC001190081167	967548808	/nfs/dbraw/zinc/54/88/08/967548808.db2.gz	GOLCGWJYCVJKPM-HRCADAONSA-N	1	0	364.490	1.478	20	30		FDEDRO
C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N	ZINC001190148563	967561566	/nfs/dbraw/zinc/56/15/66/967561566.db2.gz	YCJWALXHGLLBBU-IUODEOHRSA-N	1	0	364.427	1.714	20	30		FDEDRO
C#CCC[N@@H+](CCOC)C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852749986	967576990	/nfs/dbraw/zinc/57/69/90/967576990.db2.gz	KEINFVXUIIPJBX-KRWDZBQOSA-N	1	0	354.491	1.966	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(C)nc3)[C@@H]2C1	ZINC001190186098	967600458	/nfs/dbraw/zinc/60/04/58/967600458.db2.gz	XTQAVNZIBYDVTB-RYQLBKOJSA-N	1	0	356.470	1.156	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1	ZINC000852801463	967616796	/nfs/dbraw/zinc/61/67/96/967616796.db2.gz	MAJKMKDOWZNPKP-UHFFFAOYSA-N	1	0	374.466	1.099	20	30		FDEDRO
CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C#CC2CC[NH2+]CC2)c1	ZINC000852803426	967618837	/nfs/dbraw/zinc/61/88/37/967618837.db2.gz	HZTZNVPLQHPKQR-UHFFFAOYSA-N	1	0	363.483	1.705	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)Nc1ccccc1C(=O)NC[C@@H]1CCCO1	ZINC000852806242	967621006	/nfs/dbraw/zinc/62/10/06/967621006.db2.gz	GYHIFKVOVYVOQU-INIZCTEOSA-N	1	0	355.438	1.537	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CC2([NH3+])CC2)c1	ZINC000852817971	967630831	/nfs/dbraw/zinc/63/08/31/967630831.db2.gz	MQSBWBWUJWTMNO-XMHGGMMESA-N	1	0	350.444	1.319	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N[C@H](Cc1ccccc1)C(=O)N1CCCC1	ZINC000852825278	967636593	/nfs/dbraw/zinc/63/65/93/967636593.db2.gz	MMZKMYOTGCTQPY-LJQANCHMSA-N	1	0	353.466	1.339	20	30		FDEDRO
COCC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2COCC[C@@H]2c2ccccc2)C1	ZINC001190221710	967638262	/nfs/dbraw/zinc/63/82/62/967638262.db2.gz	KWLCVCVDILCMLQ-PWRODBHTSA-N	1	0	370.493	1.989	20	30		FDEDRO
CC(C)(Oc1ccc(Br)cc1)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N	ZINC000852827478	967638483	/nfs/dbraw/zinc/63/84/83/967638483.db2.gz	JNUBNDONXBNPPK-GXFFZTMASA-N	1	0	352.232	1.834	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NCC(=O)N1CCC(Cc2ccccc2)CC1	ZINC000852835581	967646714	/nfs/dbraw/zinc/64/67/14/967646714.db2.gz	PTJBJSRUHONDES-UHFFFAOYSA-N	1	0	367.493	1.587	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(C)(C)CC	ZINC001110423912	967650198	/nfs/dbraw/zinc/65/01/98/967650198.db2.gz	AFFLXLKWEBWCIC-ZACQAIPSSA-N	1	0	365.518	1.996	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N[C@H](C)CC	ZINC001110423973	967650320	/nfs/dbraw/zinc/65/03/20/967650320.db2.gz	CYQUSABOMSTHAD-VQHPVUNQSA-N	1	0	351.491	1.605	20	30		FDEDRO
COc1cccc(-c2noc([C@H](C)NC(=O)C#CC3CC[NH2+]CC3)n2)c1	ZINC000852852191	967658473	/nfs/dbraw/zinc/65/84/73/967658473.db2.gz	PZGCTUCGOHWFMV-ZDUSSCGKSA-N	1	0	354.410	1.925	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NCc1ccccc1OCCN1CCOCC1	ZINC000852862693	967668403	/nfs/dbraw/zinc/66/84/03/967668403.db2.gz	JJHGIIZYULBYQP-UHFFFAOYSA-N	1	0	371.481	1.017	20	30		FDEDRO
CC[C@@H](C)C(=O)NCC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001190213161	967675246	/nfs/dbraw/zinc/67/52/46/967675246.db2.gz	ZIUXDRVQHSYQSR-AYOQOUSVSA-N	1	0	368.481	1.753	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](Cc3ccccc3)OC)[C@@H]2C1	ZINC001190241113	967689882	/nfs/dbraw/zinc/68/98/82/967689882.db2.gz	OPWHXDMGYPIQQE-ZCNNSNEGSA-N	1	0	356.466	1.427	20	30		FDEDRO
COCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CC#Cc3ccccc3)[C@@H]2C1	ZINC001190312518	967725862	/nfs/dbraw/zinc/72/58/62/967725862.db2.gz	XIVSROCQTFYNRE-VQTJNVASSA-N	1	0	356.466	1.624	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)c3ccccc3F)C[C@H]21	ZINC001190441213	967853438	/nfs/dbraw/zinc/85/34/38/967853438.db2.gz	PYISGIHICFCACV-IPELMVKDSA-N	1	0	362.445	1.985	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)c3ccccc3F)C[C@H]21	ZINC001190441214	967853643	/nfs/dbraw/zinc/85/36/43/967853643.db2.gz	PYISGIHICFCACV-KFKAGJAMSA-N	1	0	362.445	1.985	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)c3ccccc3)[C@@H]2C1	ZINC001190458696	967883962	/nfs/dbraw/zinc/88/39/62/967883962.db2.gz	JBIANARLRWYFNR-JENIJYKNSA-N	1	0	370.497	1.346	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1CC(N)=NOCC(=O)N1CCC(c2ccccc2)=N1	ZINC000111179214	967930377	/nfs/dbraw/zinc/93/03/77/967930377.db2.gz	BACIQEZCRLGQQO-OAHLLOKOSA-N	1	0	357.458	1.786	20	30		FDEDRO
C=CC[NH+](CC=C)CCN1CCN(S(=O)(=O)C2(CC=C)CC2)CC1	ZINC001190804692	968101848	/nfs/dbraw/zinc/10/18/48/968101848.db2.gz	OJCIIGKOBWMGPA-UHFFFAOYSA-N	1	0	353.532	1.717	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC000853739190	968282373	/nfs/dbraw/zinc/28/23/73/968282373.db2.gz	DWSXSMCBPWSJPV-GOSISDBHSA-N	1	0	357.454	1.439	20	30		FDEDRO
CCN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@H]1CC[N@H+](C)C1	ZINC000853990998	968505787	/nfs/dbraw/zinc/50/57/87/968505787.db2.gz	ZFMSEVBMWDGYQG-SOUVJXGZSA-N	1	0	365.478	1.481	20	30		FDEDRO
CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)c2ccnc(C#N)c2)CC1	ZINC001191546980	968604090	/nfs/dbraw/zinc/60/40/90/968604090.db2.gz	FNUCCLYMLOPHGU-UHFFFAOYSA-N	1	0	355.442	1.112	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCCOc2ccccc2)C[C@H]1O	ZINC001191622827	968630492	/nfs/dbraw/zinc/63/04/92/968630492.db2.gz	XPHRFJAXKCGVSR-QXAKKESOSA-N	1	0	362.470	1.598	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2cccs2)C1	ZINC001111565312	968632078	/nfs/dbraw/zinc/63/20/78/968632078.db2.gz	XPSRQJQSFMZQOF-DOXZYTNZSA-N	1	0	359.495	1.399	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](CCCOc2cccc(Cl)c2)C[C@H]1O	ZINC001191755486	968758243	/nfs/dbraw/zinc/75/82/43/968758243.db2.gz	JOOOQDNQOIRPJC-IAGOWNOFSA-N	1	0	368.861	1.473	20	30		FDEDRO
C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)c2c(F)cc(C#N)cc2F)C1	ZINC001191918557	968850961	/nfs/dbraw/zinc/85/09/61/968850961.db2.gz	KTRQKCHXRGOBNA-ZDUSSCGKSA-N	1	0	359.380	1.867	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@@H]([NH+](C)C)C2)nc1	ZINC000854632634	969037050	/nfs/dbraw/zinc/03/70/50/969037050.db2.gz	OLUAINGJETUGEC-AEFFLSMTSA-N	1	0	356.470	1.370	20	30		FDEDRO
N#Cc1ccc(C(=O)N(Cc2cnc3n2CC[NH2+]CC3)c2ccccn2)o1	ZINC001192674672	969225395	/nfs/dbraw/zinc/22/53/95/969225395.db2.gz	AXSZJTKTMHLOGM-UHFFFAOYSA-N	1	0	362.393	1.735	20	30		FDEDRO
C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001192786562	969289916	/nfs/dbraw/zinc/28/99/16/969289916.db2.gz	CGIBILMLJWUYRG-JENIJYKNSA-N	1	0	356.470	1.710	20	30		FDEDRO
CC(C)(C)C#CC(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O	ZINC001192813627	969312968	/nfs/dbraw/zinc/31/29/68/969312968.db2.gz	MWUZBNJFUDMZRA-QZTJIDSGSA-N	1	0	356.466	1.375	20	30		FDEDRO
CC(C)(C)C#CC(=O)N[C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@H]1O	ZINC001192871518	969326857	/nfs/dbraw/zinc/32/68/57/969326857.db2.gz	SFXXSCRUSUXGOL-QZTJIDSGSA-N	1	0	351.450	1.946	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc3c2cccc3OC)C1	ZINC001192997297	969397858	/nfs/dbraw/zinc/39/78/58/969397858.db2.gz	LVUAUIWXWYBUEX-HZPDHXFCSA-N	1	0	360.410	1.419	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCc2csc(C)n2)C1	ZINC001193005697	969405481	/nfs/dbraw/zinc/40/54/81/969405481.db2.gz	VYBRUGCRUPHEFF-HZPDHXFCSA-N	1	0	353.488	1.138	20	30		FDEDRO
CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(S(=O)(=O)[C@H](C)C#N)CC[C@@H]21	ZINC001193123110	969489529	/nfs/dbraw/zinc/48/95/29/969489529.db2.gz	SQZPMYBHLSXGGB-NCOADZHNSA-N	1	0	365.503	1.298	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)cc2C(F)F)C1	ZINC001193240249	969568215	/nfs/dbraw/zinc/56/82/15/969568215.db2.gz	DEKGFWMUJNOWPC-UMVBOHGHSA-N	1	0	356.417	1.645	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3cc[nH]cc-3c2=O)C1	ZINC001193345148	969645992	/nfs/dbraw/zinc/64/59/92/969645992.db2.gz	MHXULIYCNLZKBR-JCURWCKSSA-N	1	0	356.426	1.053	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)c3ccccc32)C1	ZINC001193843317	969870092	/nfs/dbraw/zinc/87/00/92/969870092.db2.gz	WJFNJAHEUAIENF-GUDVDZBRSA-N	1	0	371.481	1.421	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c3ccc(F)cc23)C1	ZINC001193811687	969875459	/nfs/dbraw/zinc/87/54/59/969875459.db2.gz	CBEXHZFGHMKBLN-SJLPKXTDSA-N	1	0	361.417	1.295	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC/C=C\c2ccccc2)C[C@H]1O	ZINC001193849831	969895312	/nfs/dbraw/zinc/89/53/12/969895312.db2.gz	OXQPIUVQBZDELL-DXEIPNDNSA-N	1	0	367.493	1.349	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)[nH]c(C3CC3)n2)C1	ZINC001193977985	969944648	/nfs/dbraw/zinc/94/46/48/969944648.db2.gz	IOPCUUYEMFAHHE-HZPDHXFCSA-N	1	0	362.474	1.805	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(NC(C)=O)n2)C1	ZINC001194376092	970136383	/nfs/dbraw/zinc/13/63/83/970136383.db2.gz	PLFQUERSOPHSQY-MPKXVKKWSA-N	1	0	352.460	1.231	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncn(-c3ccccc3)n1)C2	ZINC001110699622	970139830	/nfs/dbraw/zinc/13/98/30/970139830.db2.gz	YBCDEWCEQAEWCB-KURKYZTESA-N	1	0	367.453	1.805	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H](O)COc2ccc(CCOC)cc2)CC1	ZINC000855174621	970195906	/nfs/dbraw/zinc/19/59/06/970195906.db2.gz	LXKYTPKNQRFANP-IBGZPJMESA-N	1	0	374.481	1.077	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc(NC(C)=O)cc2)C1	ZINC001194443591	970196858	/nfs/dbraw/zinc/19/68/58/970196858.db2.gz	PSQRDDGKBAHZNH-GDIGMMSISA-N	1	0	359.470	1.704	20	30		FDEDRO
C#CCN1CCC[C@H](NS(=O)(=O)c2ccc(OC)c3ncccc23)C1	ZINC001194690459	970328874	/nfs/dbraw/zinc/32/88/74/970328874.db2.gz	HUKFTOAGIFGGNU-AWEZNQCLSA-N	1	0	359.451	1.619	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3cc(C)co3)C[C@H]2C)CC1	ZINC000957913063	1014016962	/nfs/dbraw/zinc/01/69/62/1014016962.db2.gz	XSLVURRMENCWPI-NVXWUHKLSA-N	1	0	357.454	1.510	20	30		FDEDRO
CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC(=O)N(CC)C[C@@H](C)C#N)C1	ZINC000776827233	970655546	/nfs/dbraw/zinc/65/55/46/970655546.db2.gz	STVFRUDXUJRYTA-JYJNAYRXSA-N	1	0	352.479	1.841	20	30		FDEDRO
C=CCCOc1ccc(C(=O)N[C@@H](Cc2cncn2C)C(=O)OC)cc1	ZINC001195140799	970719422	/nfs/dbraw/zinc/71/94/22/970719422.db2.gz	DIGNAAYRSWSSAQ-KRWDZBQOSA-N	1	0	357.410	1.889	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3c2nc(C)cc3C)C1	ZINC001195198732	970762494	/nfs/dbraw/zinc/76/24/94/970762494.db2.gz	ZBMNUZYEQAWWFO-IAOVAPTHSA-N	1	0	357.458	1.476	20	30		FDEDRO
COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1	ZINC000775809907	972657958	/nfs/dbraw/zinc/65/79/58/972657958.db2.gz	HEDUXZAKYLHEES-YRBFXIGRSA-N	1	0	352.479	1.886	20	30		FDEDRO
C[C@H]1CN(C(=O)OC(C)(C)C)CC1=NNC(=S)NCCC[NH+](C)C	ZINC000863092763	972664957	/nfs/dbraw/zinc/66/49/57/972664957.db2.gz	JPDODTCDRQEBKC-LBPRGKRZSA-N	1	0	357.524	1.645	20	30		FDEDRO
Cn1ncc(I)c1C=NNC1=[NH+][C@H]2CCCC[C@@H]2N1	ZINC000863103609	972666684	/nfs/dbraw/zinc/66/66/84/972666684.db2.gz	FBPXIILFRFFBOW-UWVGGRQHSA-N	1	0	372.214	1.219	20	30		FDEDRO
CCCCCCCCCCC(=O)N[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1O	ZINC001198069331	972760861	/nfs/dbraw/zinc/76/08/61/972760861.db2.gz	WSJUOFRIAUBJCU-FGTMMUONSA-N	1	0	367.534	1.957	20	30		FDEDRO
CC(=NNC(=S)NCCC[NH+](C)C)c1ccc(Br)cn1	ZINC000794509872	972785332	/nfs/dbraw/zinc/78/53/32/972785332.db2.gz	HORLQQIOFZWXDK-UHFFFAOYSA-N	1	0	358.309	1.984	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ccccc3oc2=O)C1	ZINC001198297786	972961492	/nfs/dbraw/zinc/96/14/92/972961492.db2.gz	GEMLJXWWYBVKOM-IAOVAPTHSA-N	1	0	356.422	1.923	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COc2ccccc2OCC)C1	ZINC001198328570	972991185	/nfs/dbraw/zinc/99/11/85/972991185.db2.gz	OIHSPVAOMRUVRU-GVDBMIGSSA-N	1	0	362.470	1.980	20	30		FDEDRO
C=C[C@@H](O)C(=O)Nc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc[nH+]1	ZINC000863545976	973000535	/nfs/dbraw/zinc/00/05/35/973000535.db2.gz	CRNHPFSVUPNHOO-CQSZACIVSA-N	1	0	362.430	1.624	20	30		FDEDRO
COc1cc(OC)c(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)c(OC)c1	ZINC000863552108	973009007	/nfs/dbraw/zinc/00/90/07/973009007.db2.gz	VVNBNCNUJOMKSX-CQSZACIVSA-N	1	0	364.442	1.873	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+][C@H]2CCCN(Cc3ccccc3)C2=O)CCOCC1	ZINC000863554171	973011489	/nfs/dbraw/zinc/01/14/89/973011489.db2.gz	SJSOEVFVVOEEGP-MOPGFXCFSA-N	1	0	371.481	1.839	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]C2CN(C(=O)OCc3ccccc3)C2)CCOCC1	ZINC000863556435	973013069	/nfs/dbraw/zinc/01/30/69/973013069.db2.gz	CMHOLHOAEMSFGY-GOSISDBHSA-N	1	0	373.453	1.668	20	30		FDEDRO
CC[C@@H](C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)NC(=O)OC(C)(C)C	ZINC000863558149	973015433	/nfs/dbraw/zinc/01/54/33/973015433.db2.gz	XDQDLVRNGQEKAH-GJZGRUSLSA-N	1	0	355.479	1.951	20	30		FDEDRO
C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]C[C@H](O)CC1(C#N)CCOCC1	ZINC000863558180	973015898	/nfs/dbraw/zinc/01/58/98/973015898.db2.gz	XUTYRXUVMBFBRK-SOUVJXGZSA-N	1	0	355.479	1.949	20	30		FDEDRO
COc1cc(OC)cc([C@@H](O)C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)c1	ZINC000863559601	973017160	/nfs/dbraw/zinc/01/71/60/973017160.db2.gz	QTQZNZLHXVHMMX-QAPCUYQASA-N	1	0	364.442	1.398	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COc2ccccc2C(C)C)C1	ZINC001198416561	973076652	/nfs/dbraw/zinc/07/66/52/973076652.db2.gz	GSTLDCULFWUJSF-QZTJIDSGSA-N	1	0	362.470	1.553	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c3ccccc3oc2=O)C1	ZINC001198520014	973199692	/nfs/dbraw/zinc/19/96/92/973199692.db2.gz	AOGKAPOYENQRJV-IIAWOOMASA-N	1	0	359.426	1.111	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(NC(N)=O)c2)C1	ZINC001198507112	973234390	/nfs/dbraw/zinc/23/43/90/973234390.db2.gz	HTBBISUTILICBS-IAGOWNOFSA-N	1	0	360.458	1.699	20	30		FDEDRO
Cc1cc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)c(C)n1-c1ccc(C#N)cc1	ZINC000863831575	973249170	/nfs/dbraw/zinc/24/91/70/973249170.db2.gz	KVULYMWGCARAGX-SFHVURJKSA-N	1	0	352.438	1.762	20	30		FDEDRO
C=CCOC(=O)N[C@H]1CCCN(C(=O)c2cncn2-c2cc[nH+]cc2)C1	ZINC001198549339	973278775	/nfs/dbraw/zinc/27/87/75/973278775.db2.gz	ORDLWLAKTIBDAS-AWEZNQCLSA-N	1	0	355.398	1.784	20	30		FDEDRO
C=CCC[NH2+][C@H](CNC(=O)[C@H]1C[C@@H](C)CC(=O)N1)c1ccccc1OC	ZINC001198732774	973435106	/nfs/dbraw/zinc/43/51/06/973435106.db2.gz	RTZJUVGJDJXAKG-DJIMGWMZSA-N	1	0	359.470	1.933	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1	ZINC000645225632	1014119550	/nfs/dbraw/zinc/11/95/50/1014119550.db2.gz	GRJZJEFEHWPMJC-IBGZPJMESA-N	1	0	373.497	1.981	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)N2CCOCC2)C1	ZINC001198863933	973604677	/nfs/dbraw/zinc/60/46/77/973604677.db2.gz	RLZRIQJZWLIKFB-GUDVDZBRSA-N	1	0	367.534	1.229	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC2CCN(C(C)=O)CC2)C1	ZINC001198870392	973640096	/nfs/dbraw/zinc/64/00/96/973640096.db2.gz	KFHOSJQZOZEABC-QZTJIDSGSA-N	1	0	351.491	1.153	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN(C(C)=O)c2ccccc2)C1	ZINC001198904746	973723311	/nfs/dbraw/zinc/72/33/11/973723311.db2.gz	LZYQXOIGOWHGOZ-KFKAGJAMSA-N	1	0	359.470	1.556	20	30		FDEDRO
C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN1CC[NH+](C)CC1	ZINC000864658950	973733108	/nfs/dbraw/zinc/73/31/08/973733108.db2.gz	WCXAIWQYIJRDOA-AWEZNQCLSA-N	1	0	374.913	1.386	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCc3ccccc32)C1	ZINC001198974480	973766544	/nfs/dbraw/zinc/76/65/44/973766544.db2.gz	DPRNHWQOWXXJJA-DFQSSKMNSA-N	1	0	358.482	1.861	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCc3sccc3C2)C1	ZINC001198989441	973810016	/nfs/dbraw/zinc/81/00/16/973810016.db2.gz	INXCAUOXBHBERJ-DJIMGWMZSA-N	1	0	363.527	1.622	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(OCC3CC3)nc2)C1	ZINC001199052010	973860390	/nfs/dbraw/zinc/86/03/90/973860390.db2.gz	YVFJGCIZBGWOJZ-BMGDILEWSA-N	1	0	359.470	2.000	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@H+](CC/C=C\CCC)C[C@H]1O	ZINC001199081725	973902711	/nfs/dbraw/zinc/90/27/11/973902711.db2.gz	VUNYZKFEHBFEIV-NKIGNDQYSA-N	1	0	366.506	1.158	20	30		FDEDRO
N#C[C@]1(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)CCCOC1	ZINC000867312068	974163745	/nfs/dbraw/zinc/16/37/45/974163745.db2.gz	WIQZSRMCIKOJEO-UYAOXDASSA-N	1	0	357.454	1.580	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)CC(C)C)C1	ZINC001199473388	974283898	/nfs/dbraw/zinc/28/38/98/974283898.db2.gz	HDIGDANUXDRYRI-IAGOWNOFSA-N	1	0	355.523	1.671	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+][C@H]1CCN(CCN2CCOCC2)C1	ZINC000865466531	974313927	/nfs/dbraw/zinc/31/39/27/974313927.db2.gz	XMNIWNVSJACSKJ-IBGZPJMESA-N	1	0	357.502	1.120	20	30		FDEDRO
C#CC[C@H](CC(=O)N[C@@H]1C[N@H+](CCCCOC)C[C@H]1O)c1ccccc1	ZINC001199506973	974328494	/nfs/dbraw/zinc/32/84/94/974328494.db2.gz	ZAVUBXHHXGYBRP-VAMGGRTRSA-N	1	0	358.482	1.772	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+](CCCO[C@H]3CCOC3)C[C@H]2O)CCCC1	ZINC001199567254	974373129	/nfs/dbraw/zinc/37/31/29/974373129.db2.gz	NSQUIEIJRLRFHZ-RCCFBDPRSA-N	1	0	366.502	1.480	20	30		FDEDRO
C[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC[N@@H+]1C	ZINC000775997273	974394463	/nfs/dbraw/zinc/39/44/63/974394463.db2.gz	ABXZXPNSMQHYGW-HZPDHXFCSA-N	1	0	361.515	1.093	20	30		FDEDRO
CC(C)(O)CN1CC[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1	ZINC000865660549	974409528	/nfs/dbraw/zinc/40/95/28/974409528.db2.gz	UXIJMJCIAYWHOH-SFHVURJKSA-N	1	0	368.485	1.794	20	30		FDEDRO
C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C	ZINC000865706439	974432247	/nfs/dbraw/zinc/43/22/47/974432247.db2.gz	WHQWTWFWJHDYAI-KGLIPLIRSA-N	1	0	374.913	1.384	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCc1cccs1	ZINC001110543409	974552285	/nfs/dbraw/zinc/55/22/85/974552285.db2.gz	QCIQITIOMYKVMW-JFRXWTBNSA-N	1	0	374.506	1.761	20	30		FDEDRO
N#Cc1c[nH]c2cc(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)ccc12	ZINC000865903482	974561072	/nfs/dbraw/zinc/56/10/72/974561072.db2.gz	CDKHHVPCKZNUCM-KRWDZBQOSA-N	1	0	367.453	1.176	20	30		FDEDRO
C=CC[NH+](CC=C)CCN1CCN(C(=S)NC[C@H]2CCCO2)CC1	ZINC001200024348	974627781	/nfs/dbraw/zinc/62/77/81/974627781.db2.gz	YQQIQWCDVQLDGK-QGZVFWFLSA-N	1	0	352.548	1.332	20	30		FDEDRO
C=CC[NH+](CC=C)CCN1CCN(C(=S)NC[C@@H]2CCCO2)CC1	ZINC001200024347	974627864	/nfs/dbraw/zinc/62/78/64/974627864.db2.gz	YQQIQWCDVQLDGK-KRWDZBQOSA-N	1	0	352.548	1.332	20	30		FDEDRO
C=CCN1C(=O)CCC12CCN(C(=S)NCC[NH+]1CCCCC1)CC2	ZINC001200421033	974780422	/nfs/dbraw/zinc/78/04/22/974780422.db2.gz	CQIDXVNFKOGKFZ-UHFFFAOYSA-N	1	0	364.559	1.990	20	30		FDEDRO
C=CCOCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCO[C@H]2C=C)CCCO1	ZINC001200529382	974808930	/nfs/dbraw/zinc/80/89/30/974808930.db2.gz	ULBISVRSBMHKKR-KSZLIROESA-N	1	0	352.475	1.377	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+][C@@H](CCCC)C(N)=O)CC1	ZINC001200637490	974854283	/nfs/dbraw/zinc/85/42/83/974854283.db2.gz	VASOAXKFRVWFEW-IKGGRYGDSA-N	1	0	351.491	1.592	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@]23C[C@H]2COC3)CC1	ZINC001200671008	974863964	/nfs/dbraw/zinc/86/39/64/974863964.db2.gz	QBVOWPGQVCYLEX-FTRWYGJKSA-N	1	0	363.502	1.417	20	30		FDEDRO
CC#CCCNC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000776102924	974866994	/nfs/dbraw/zinc/86/69/94/974866994.db2.gz	RYRAJKDKVDRSTL-UHFFFAOYSA-N	1	0	358.486	1.920	20	30		FDEDRO
C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)CCCO1	ZINC001200721126	974882148	/nfs/dbraw/zinc/88/21/48/974882148.db2.gz	HNSWICBUGZTSBP-IPMKNSEASA-N	1	0	360.454	1.536	20	30		FDEDRO
C[N@H+](CCO)CCCNC(=S)Nc1ccc(C#N)cc1Br	ZINC001201136711	974964648	/nfs/dbraw/zinc/96/46/48/974964648.db2.gz	GFXRRMDCMCBOIN-UHFFFAOYSA-N	1	0	371.304	1.921	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1	ZINC000867386285	975008524	/nfs/dbraw/zinc/00/85/24/975008524.db2.gz	ILBXFFYQEUWFPS-PKOBYXMFSA-N	1	0	371.481	1.762	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCCOCC)C1	ZINC001201621440	975100759	/nfs/dbraw/zinc/10/07/59/975100759.db2.gz	LCDJHZUANSHBKY-BZSNNMDCSA-N	1	0	354.491	1.601	20	30		FDEDRO
N#CCn1c(CN2CC[NH+](C[C@H]3CCCO3)CC2)nc2ccccc2c1=O	ZINC000776254535	975255022	/nfs/dbraw/zinc/25/50/22/975255022.db2.gz	YSRKRLQRJZKJHT-MRXNPFEDSA-N	1	0	367.453	1.217	20	30		FDEDRO
CCOC(=O)Nc1ccc(NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1C#N	ZINC000847160199	975348370	/nfs/dbraw/zinc/34/83/70/975348370.db2.gz	HXTUUDVIPURGBM-LSDHHAIUSA-N	1	0	373.413	1.409	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)nc1	ZINC000847332557	975485220	/nfs/dbraw/zinc/48/52/20/975485220.db2.gz	QRBMVARJHBEWJM-MRXNPFEDSA-N	1	0	359.499	1.699	20	30		FDEDRO
N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@]12COCCN1C(=O)COC2	ZINC000866552735	975778610	/nfs/dbraw/zinc/77/86/10/975778610.db2.gz	IQTVZQNOSYJWMV-UYAOXDASSA-N	1	0	355.438	1.543	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1	ZINC000847605534	975899378	/nfs/dbraw/zinc/89/93/78/975899378.db2.gz	CITRPYPHYXTONV-MSOLQXFVSA-N	1	0	355.438	1.770	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc3c(C#N)c[nH]c3c2)CC1	ZINC000866716862	975954794	/nfs/dbraw/zinc/95/47/94/975954794.db2.gz	SWWPFHGNNMXABT-GOSISDBHSA-N	1	0	365.437	1.418	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1	ZINC000866771689	976022664	/nfs/dbraw/zinc/02/26/64/976022664.db2.gz	IPKZGPRCEQLFKT-DOTOQJQBSA-N	1	0	367.446	1.604	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cc1Br	ZINC000866824680	976114442	/nfs/dbraw/zinc/11/44/42/976114442.db2.gz	NSEZMZIPXMWYCQ-KGLIPLIRSA-N	1	0	370.272	1.836	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)c2ccc(CC[NH+](C)C)cc2)n1	ZINC000847988380	976222774	/nfs/dbraw/zinc/22/27/74/976222774.db2.gz	DDXNBEIETHUHDI-UHFFFAOYSA-N	1	0	368.481	1.909	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O	ZINC000121650896	976289089	/nfs/dbraw/zinc/28/90/89/976289089.db2.gz	RLSSJCWHZIDDKH-LUKYLMHMSA-N	1	0	362.470	1.827	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCNC(C)=O	ZINC001110601000	976618274	/nfs/dbraw/zinc/61/82/74/976618274.db2.gz	FIHWIEIEUKJSIJ-OAGGEKHMSA-N	1	0	371.909	1.639	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C)CC1	ZINC000848341873	976658167	/nfs/dbraw/zinc/65/81/67/976658167.db2.gz	YWPLVAAYXWPZSH-TZMCWYRMSA-N	1	0	359.392	1.390	20	30		FDEDRO
C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1cccc(NS(C)(=O)=O)c1	ZINC000848399045	976718115	/nfs/dbraw/zinc/71/81/15/976718115.db2.gz	ZDKLBGWCXAYTRY-SWLSCSKDSA-N	1	0	352.460	1.647	20	30		FDEDRO
CC[NH+](CC)CCN1c2ccccc2C(=NNCCCn2ccnc2)C1=O	ZINC000848419267	976724972	/nfs/dbraw/zinc/72/49/72/976724972.db2.gz	SGMNIKHXLLIAHF-UHFFFAOYSA-N	1	0	368.485	1.956	20	30		FDEDRO
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]([NH3+])CCCCC#N	ZINC000848427298	976728676	/nfs/dbraw/zinc/72/86/76/976728676.db2.gz	VKAWGIOGRGPTCE-CQSZACIVSA-N	1	0	367.833	1.958	20	30		FDEDRO
C=CCc1cc(OCC)cc(C[NH+]2CCN(c3nncn3C)CC2)c1O	ZINC000848497182	976844705	/nfs/dbraw/zinc/84/47/05/976844705.db2.gz	JBFFRMPVLAFIFA-UHFFFAOYSA-N	1	0	357.458	1.970	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1	ZINC000867806594	976903583	/nfs/dbraw/zinc/90/35/83/976903583.db2.gz	ARNORFWZEIEUTI-DZGCQCFKSA-N	1	0	363.439	1.060	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N(CC(C)C)CC1CC[NH+](C)CC1	ZINC000867864394	977000906	/nfs/dbraw/zinc/00/09/06/977000906.db2.gz	YDDXTAQCEFPKBB-UHFFFAOYSA-N	1	0	374.551	1.393	20	30		FDEDRO
COC(=O)[C@@H](NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)c1ccccc1F	ZINC000867953273	977134760	/nfs/dbraw/zinc/13/47/60/977134760.db2.gz	RQTUJQKXMDJMGP-MSOLQXFVSA-N	1	0	367.380	1.915	20	30		FDEDRO
COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000867953511	977135551	/nfs/dbraw/zinc/13/55/51/977135551.db2.gz	YKKAOZVHVIBDKC-RTBURBONSA-N	1	0	363.417	1.646	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N[C@@H]1CCN(c2ncccc2F)C1	ZINC000867959165	977143380	/nfs/dbraw/zinc/14/33/80/977143380.db2.gz	QSFALTLWHZZDCX-CRAIPNDOSA-N	1	0	365.412	1.674	20	30		FDEDRO
C[C@@H]1CN(C(C)(C)CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C[C@@H](C)O1	ZINC000867962227	977146280	/nfs/dbraw/zinc/14/62/80/977146280.db2.gz	MTRQACHEWDGRON-SPYBWZPUSA-N	1	0	370.497	1.749	20	30		FDEDRO
CC(C)(C)C(=O)N1CCC(NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000867983887	977169104	/nfs/dbraw/zinc/16/91/04/977169104.db2.gz	SIKDZQBWIHORPP-GOSISDBHSA-N	1	0	368.481	1.898	20	30		FDEDRO
CCNC(NCc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1)=[NH+]CC	ZINC000849002287	977287638	/nfs/dbraw/zinc/28/76/38/977287638.db2.gz	ZZAHUHVBVFSFAJ-LJQANCHMSA-N	1	0	357.458	1.987	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCCCn3ccnc3)=[NH+]C[C@@H]2C1	ZINC000849087238	977307817	/nfs/dbraw/zinc/30/78/17/977307817.db2.gz	PFSMWYCZTMWAOC-OAHLLOKOSA-N	1	0	362.478	1.544	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)CCO1	ZINC000868209577	977347470	/nfs/dbraw/zinc/34/74/70/977347470.db2.gz	KBPRYBVUBQKMBL-GDLCADMTSA-N	1	0	356.348	1.919	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1	ZINC000849512990	977707075	/nfs/dbraw/zinc/70/70/75/977707075.db2.gz	OIYOYXXFMJSPQY-JKSUJKDBSA-N	1	0	353.426	1.974	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1	ZINC000868490709	977709578	/nfs/dbraw/zinc/70/95/78/977709578.db2.gz	DVIVWLDLYVEMOG-MRXNPFEDSA-N	1	0	357.520	1.684	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1	ZINC000849547533	977730108	/nfs/dbraw/zinc/73/01/08/977730108.db2.gz	IJRLALQTMPKAKK-OALUTQOASA-N	1	0	366.465	1.784	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](C(=O)N2CCSC[C@@H]2C#N)[C@H](c2cnn(C)c2)C1	ZINC000849572879	977774070	/nfs/dbraw/zinc/77/40/70/977774070.db2.gz	DUVQNQRTIDGSLK-ULQDDVLXSA-N	1	0	361.515	1.702	20	30		FDEDRO
Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2cc(F)c(C#N)c(F)c2)cn1	ZINC000849586807	977792541	/nfs/dbraw/zinc/79/25/41/977792541.db2.gz	QQRSIIBDXDFIEI-GDBMZVCRSA-N	1	0	373.407	1.922	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)n1	ZINC000849587367	977792959	/nfs/dbraw/zinc/79/29/59/977792959.db2.gz	IAGRUJGWORDOFQ-MOPGFXCFSA-N	1	0	368.485	1.334	20	30		FDEDRO
Cc1[nH]nc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1C#N	ZINC000849612200	977849104	/nfs/dbraw/zinc/84/91/04/977849104.db2.gz	GMHAPVZGQRRWMZ-ZBFHGGJFSA-N	1	0	355.446	1.776	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCNS(C)(=O)=O)C2	ZINC001110619008	978135143	/nfs/dbraw/zinc/13/51/43/978135143.db2.gz	MYSWMVHAPOVUJU-OAGGEKHMSA-N	1	0	357.520	1.394	20	30		FDEDRO
COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000850443253	978374354	/nfs/dbraw/zinc/37/43/54/978374354.db2.gz	PSSZAXPSXWRQBU-RRGFCBMYSA-N	1	0	360.370	1.780	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1	ZINC000850551265	978434233	/nfs/dbraw/zinc/43/42/33/978434233.db2.gz	UKQRLNBRIMGAGI-CQSZACIVSA-N	1	0	361.417	1.765	20	30		FDEDRO
N#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C3CCC3)cc1)C2	ZINC001110633002	978977530	/nfs/dbraw/zinc/97/75/30/978977530.db2.gz	CZFYJWGLSLCBID-QRVBRYPASA-N	1	0	366.465	1.929	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1	ZINC000968001784	1014539161	/nfs/dbraw/zinc/53/91/61/1014539161.db2.gz	WDOUENAHNSIKHH-BZSNNMDCSA-N	1	0	365.518	1.613	20	30		FDEDRO
N#Cc1cccnc1NCCNC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1	ZINC000851654434	978985503	/nfs/dbraw/zinc/98/55/03/978985503.db2.gz	CDLZJALUIFXZCZ-KRWDZBQOSA-N	1	0	356.474	1.786	20	30		FDEDRO
CN(CCC[NH3+])C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	ZINC000851685564	978997309	/nfs/dbraw/zinc/99/73/09/978997309.db2.gz	SYORFPHFISUZBZ-UHFFFAOYSA-N	1	0	356.451	1.710	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1	ZINC000851686337	978997857	/nfs/dbraw/zinc/99/78/57/978997857.db2.gz	ZPEABROUFHQGLE-LJQANCHMSA-N	1	0	353.466	1.522	20	30		FDEDRO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CC[C@H](CF)C2)CC1	ZINC000880298780	979078038	/nfs/dbraw/zinc/07/80/38/979078038.db2.gz	JTQZNWPTJLCBIH-CABCVRRESA-N	1	0	350.463	1.748	20	30		FDEDRO
C[C@@H]1CC[C@H](CO)[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000880439763	979197914	/nfs/dbraw/zinc/19/79/14/979197914.db2.gz	JMFJPZHGUXBPFM-BZUAXINKSA-N	1	0	362.499	1.302	20	30		FDEDRO
C#CCC1(O)CC[NH+](CC(=O)N2CCN(Cc3cccc(C)c3)CC2)CC1	ZINC000880477909	979218391	/nfs/dbraw/zinc/21/83/91/979218391.db2.gz	OUVLXVDSTHCCIV-UHFFFAOYSA-N	1	0	369.509	1.489	20	30		FDEDRO
C#CCC1(O)CC[NH+]([C@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)CC1	ZINC000880482109	979223429	/nfs/dbraw/zinc/22/34/29/979223429.db2.gz	XVNZCRTXKNMIRG-OAHLLOKOSA-N	1	0	358.438	1.328	20	30		FDEDRO
C[NH+](C)Cc1ccnc(NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1	ZINC000880602963	979345991	/nfs/dbraw/zinc/34/59/91/979345991.db2.gz	KEXPKHZWSFCSBL-UHFFFAOYSA-N	1	0	365.441	1.764	20	30		FDEDRO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1cc(C#N)c(F)cc1F	ZINC000880710966	979403564	/nfs/dbraw/zinc/40/35/64/979403564.db2.gz	YXIGXUKFFHYUAA-JTQLQIEISA-N	1	0	351.357	1.420	20	30		FDEDRO
COc1ccc(NC(=O)N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)cc1C#N	ZINC000880881483	979509192	/nfs/dbraw/zinc/50/91/92/979509192.db2.gz	FGHUGEGWMULLCR-INIZCTEOSA-N	1	0	371.441	1.385	20	30		FDEDRO
Cc1ccc(N(CCC#N)C(=O)Cn2cc(CC[NH+](C)C)nn2)cc1C	ZINC000881131264	979705633	/nfs/dbraw/zinc/70/56/33/979705633.db2.gz	JCJKDJDCFMZMDI-UHFFFAOYSA-N	1	0	354.458	1.946	20	30		FDEDRO
C=CCNC(=O)CNC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000881133521	979708401	/nfs/dbraw/zinc/70/84/01/979708401.db2.gz	XHCZYLNSCALXKK-QGZVFWFLSA-N	1	0	357.458	1.395	20	30		FDEDRO
C[C@H]1CN(C(=O)Nc2cccc(CC#N)n2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000881148857	979718358	/nfs/dbraw/zinc/71/83/58/979718358.db2.gz	GQGWHTWZEVRINW-RDJZCZTQSA-N	1	0	356.474	1.637	20	30		FDEDRO
C=C[C@](C)(O)c1cn([C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1	ZINC000881277240	979799613	/nfs/dbraw/zinc/79/96/13/979799613.db2.gz	DMVWBJGFSHPSKI-VPWXQRGCSA-N	1	0	369.469	1.623	20	30		FDEDRO
C=C[C@@](C)(O)c1cn(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)nn1	ZINC000881294218	979814995	/nfs/dbraw/zinc/81/49/95/979814995.db2.gz	XDFAJCJORRGINU-HXUWFJFHSA-N	1	0	369.469	1.584	20	30		FDEDRO
C[NH+]1CCC2(CCCN(c3ccc(C#N)cc3CS(N)(=O)=O)C2)CC1	ZINC000882304216	980549148	/nfs/dbraw/zinc/54/91/48/980549148.db2.gz	HHIWBRZXJNMVHT-UHFFFAOYSA-N	1	0	362.499	1.659	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2cc(F)cc(C#N)c2)CCN1c1cc[nH+]cc1	ZINC000882619587	980759877	/nfs/dbraw/zinc/75/98/77/980759877.db2.gz	PVDKCIWXVLRKJN-CYBMUJFWSA-N	1	0	360.414	1.992	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000882663252	980802804	/nfs/dbraw/zinc/80/28/04/980802804.db2.gz	SXNBIXOOUSZZHA-UHFFFAOYSA-N	1	0	365.503	1.008	20	30		FDEDRO
C=CCC[C@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)[C@H]1CCCO1	ZINC000883203351	982012183	/nfs/dbraw/zinc/01/21/83/982012183.db2.gz	ZKKVIYYFEANTGH-IXDOHACOSA-N	1	0	360.520	1.578	20	30		FDEDRO
C=CCC[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1Cc2ccccc2O1	ZINC000883232070	982025613	/nfs/dbraw/zinc/02/56/13/982025613.db2.gz	AJGKLIUQLKRPDJ-RYRKJORJSA-N	1	0	350.484	1.948	20	30		FDEDRO
C=C(C)C[C@@H](CO)[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000883391476	982109905	/nfs/dbraw/zinc/10/99/05/982109905.db2.gz	LKDWIRLEJDSKRH-INIZCTEOSA-N	1	0	368.499	1.765	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)ccc1C1CC1	ZINC000883609063	982306069	/nfs/dbraw/zinc/30/60/69/982306069.db2.gz	NHHXLMQOWYENIS-HXUWFJFHSA-N	1	0	352.438	1.976	20	30		FDEDRO
C=CCn1c([C@@H]2CCOC2)nnc1N1CCC(C)([NH+]2CCOCC2)CC1	ZINC000858891008	982353998	/nfs/dbraw/zinc/35/39/98/982353998.db2.gz	SGBRKMZZCJDQFJ-MRXNPFEDSA-N	1	0	361.490	1.659	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC([NH2+]C2CCOCC2)CC1	ZINC000883670725	982366486	/nfs/dbraw/zinc/36/64/86/982366486.db2.gz	RBSPJLJBDSVWCJ-MAUKXSAKSA-N	1	0	351.491	1.910	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000859023998	982464143	/nfs/dbraw/zinc/46/41/43/982464143.db2.gz	AVMOEIOPLPULKU-KBAYOESNSA-N	1	0	351.491	1.482	20	30		FDEDRO
CC(C)(C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(C#N)cc1	ZINC000859099591	982527454	/nfs/dbraw/zinc/52/74/54/982527454.db2.gz	SHJKRKLXCANLGK-MRXNPFEDSA-N	1	0	356.470	1.539	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)C(=O)N(CC)CC)CC1	ZINC001202559368	982530382	/nfs/dbraw/zinc/53/03/82/982530382.db2.gz	BMUYVQCVQAEFCY-OIISXLGYSA-N	1	0	351.491	1.415	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1	ZINC000958368088	1014852018	/nfs/dbraw/zinc/85/20/18/1014852018.db2.gz	KWYUJDDLSAUJRD-XJKCOSOUSA-N	1	0	352.398	1.004	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)C(=O)NC2CCCC2)CC1	ZINC001202559686	982556758	/nfs/dbraw/zinc/55/67/58/982556758.db2.gz	KBGPPQHMCIRKGR-OLMNPRSZSA-N	1	0	363.502	1.605	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@H]1CN1CCCC1=O	ZINC000859133981	982564480	/nfs/dbraw/zinc/56/44/80/982564480.db2.gz	ARTPRCUPXPMEDA-ZWKOTPCHSA-N	1	0	357.454	1.775	20	30		FDEDRO
CN(CC(F)F)C1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1	ZINC000859196737	982613058	/nfs/dbraw/zinc/61/30/58/982613058.db2.gz	FRMNTITVBRNEOO-MRXNPFEDSA-N	1	0	353.413	1.959	20	30		FDEDRO
COC(=O)C1=NOC2(C1)CC[NH+](C[C@@H](O)COc1ccccc1C#N)CC2	ZINC000859246522	982644094	/nfs/dbraw/zinc/64/40/94/982644094.db2.gz	KQQFMZHNYSTXJD-OAHLLOKOSA-N	1	0	373.409	1.082	20	30		FDEDRO
CC(C)(C)OC(=O)NC[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)C1CC1	ZINC000859247852	982644734	/nfs/dbraw/zinc/64/47/34/982644734.db2.gz	CEUBLLCLPMMIQI-JKSUJKDBSA-N	1	0	367.490	1.951	20	30		FDEDRO
C#C[C@H](CCC)NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000890212789	982698735	/nfs/dbraw/zinc/69/87/35/982698735.db2.gz	BAVLWKNYENTSJX-APWZRJJASA-N	1	0	368.481	1.828	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NCc2ccccc2Cn2cccn2)C1	ZINC000884016355	982702120	/nfs/dbraw/zinc/70/21/20/982702120.db2.gz	UKEZSTPLTDBUPH-LJQANCHMSA-N	1	0	351.454	1.828	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)OCCC[NH+]2CCCCC2)cc1	ZINC000800126944	982753913	/nfs/dbraw/zinc/75/39/13/982753913.db2.gz	WWNKVTGGWHQUGQ-UHFFFAOYSA-N	1	0	364.467	1.631	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NCc2cccc(OCC(=O)NCC)c2)C1	ZINC000884066482	982812151	/nfs/dbraw/zinc/81/21/51/982812151.db2.gz	YYYVLWZGUBGWJF-QGZVFWFLSA-N	1	0	372.469	1.098	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1	ZINC000884071857	982819526	/nfs/dbraw/zinc/81/95/26/982819526.db2.gz	JAMONYWATOCLBW-GOSISDBHSA-N	1	0	358.486	1.524	20	30		FDEDRO
Cc1ccc(C(=O)N2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CC2)s1	ZINC000884100333	982866275	/nfs/dbraw/zinc/86/62/75/982866275.db2.gz	QWSRADKHNAACMZ-HVEKOLDVSA-N	1	0	372.494	1.480	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1	ZINC000884124168	982906206	/nfs/dbraw/zinc/90/62/06/982906206.db2.gz	PHXXQZKQVZFASU-UHFFFAOYSA-N	1	0	364.534	1.658	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NCc2ccnc(OC3CCOCC3)c2)C1	ZINC000884146846	982926486	/nfs/dbraw/zinc/92/64/86/982926486.db2.gz	SPSFHGFUNHPQFG-QGZVFWFLSA-N	1	0	372.469	1.536	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@H](O)c1c(F)cccc1Cl)C2	ZINC000884151734	982930728	/nfs/dbraw/zinc/93/07/28/982930728.db2.gz	SRPGCECWCQFOOA-PGDFIKJTSA-N	1	0	351.809	1.768	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCCc1nc(C(F)(F)F)cs1)C2	ZINC000884156160	982933432	/nfs/dbraw/zinc/93/34/32/982933432.db2.gz	UVZYRWUVOXDVIB-XIRUVYRFSA-N	1	0	358.389	1.960	20	30		FDEDRO
Cc1ccc(N2CCC[C@H](NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)C2=O)cc1	ZINC000884156890	982934072	/nfs/dbraw/zinc/93/40/72/982934072.db2.gz	OTVUNBTYGLPZKY-BPRAZLKKSA-N	1	0	366.465	1.746	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)CC1	ZINC000884161295	982937775	/nfs/dbraw/zinc/93/77/75/982937775.db2.gz	BTUGFMVENLRZRM-RIVXBTQJSA-N	1	0	351.491	1.909	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCN(c3c(F)cccc3F)C1=O)C2	ZINC000884165755	982941613	/nfs/dbraw/zinc/94/16/13/982941613.db2.gz	NPBYSLRNWPGDAP-RFOMPTHGSA-N	1	0	374.391	1.326	20	30		FDEDRO
Cn1ccnc1[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1cccc(F)c1	ZINC000884182137	982957000	/nfs/dbraw/zinc/95/70/00/982957000.db2.gz	ZQXQICKGARBYRY-KLRDNXEFSA-N	1	0	367.428	1.904	20	30		FDEDRO
Cn1ccnc1[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1cccc(F)c1	ZINC000884182139	982957237	/nfs/dbraw/zinc/95/72/37/982957237.db2.gz	ZQXQICKGARBYRY-WAGVIYRNSA-N	1	0	367.428	1.904	20	30		FDEDRO
CCC(CC)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)N1CCOCC1	ZINC000884184799	982960135	/nfs/dbraw/zinc/96/01/35/982960135.db2.gz	ZYNAFZQRGNNFBG-NRGCRIOASA-N	1	0	362.518	1.379	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@@H]1CCN(c3ccc(F)cc3)C1)C2	ZINC000884200083	982975613	/nfs/dbraw/zinc/97/56/13/982975613.db2.gz	RWUGNBYNBGDDOL-ZZPBVIFJSA-N	1	0	356.445	1.908	20	30		FDEDRO
CCc1nc(CN2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CC2)cs1	ZINC000884201744	982977067	/nfs/dbraw/zinc/97/70/67/982977067.db2.gz	GLGARNIDRDARQL-XAUUPUKJSA-N	1	0	373.526	1.489	20	30		FDEDRO
COc1cccc(N2CC[C@@H](CNC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)C2)c1	ZINC000884207984	982983925	/nfs/dbraw/zinc/98/39/25/982983925.db2.gz	LZTXOTZXBXTBSD-CLIJALBYSA-N	1	0	368.481	1.777	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000332073695	982989823	/nfs/dbraw/zinc/98/98/23/982989823.db2.gz	DSZHRMCWMAHHAV-UWVAXJGDSA-N	1	0	369.513	1.843	20	30		FDEDRO
C=CC[C@@H]1N(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CCCC1(C)C	ZINC000332255348	983025542	/nfs/dbraw/zinc/02/55/42/983025542.db2.gz	BAXFLEGOAPVCPU-SJORKVTESA-N	1	0	362.518	1.086	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N(CC(=O)N1CCCCCC1)C(C)C	ZINC000884325722	983087160	/nfs/dbraw/zinc/08/71/60/983087160.db2.gz	ZESOGPKLPGVEHH-HNNXBMFYSA-N	1	0	353.463	1.073	20	30		FDEDRO
CC(=O)c1ccc2c(c1)CCN(C(=O)C1CC3(C1)C[NH2+]C[C@H]3C#N)CC2	ZINC000884330855	983090688	/nfs/dbraw/zinc/09/06/88/983090688.db2.gz	ZHFUURCDPLBWAC-OBXNSHGQSA-N	1	0	351.450	1.956	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCC[C@H]1CCC2(CCOCC2)CO1	ZINC000884377620	983125932	/nfs/dbraw/zinc/12/59/32/983125932.db2.gz	PTSRQOLXLIKFFU-QGZVFWFLSA-N	1	0	351.491	1.607	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(N3CCC(O)CC3)cc1)C2	ZINC000884416735	983145438	/nfs/dbraw/zinc/14/54/38/983145438.db2.gz	LHIZDYFBHYISBC-BATSVXPKSA-N	1	0	368.481	1.403	20	30		FDEDRO
N#Cc1ccccc1CN1C(=O)CN(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)C1=O	ZINC000884483243	983185671	/nfs/dbraw/zinc/18/56/71/983185671.db2.gz	QJFICWVQTYDROL-QZTJIDSGSA-N	1	0	368.437	1.781	20	30		FDEDRO
CNS(=O)(=O)C[C@@H]1CCC[N@H+](CCCOc2ccc(C#N)cc2)C1	ZINC000860197762	983282326	/nfs/dbraw/zinc/28/23/26/983282326.db2.gz	ZDLYZMKJCTWBJF-MRXNPFEDSA-N	1	0	351.472	1.588	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1Cl	ZINC000923686463	983282434	/nfs/dbraw/zinc/28/24/34/983282434.db2.gz	MDQHQHBKXVRPSN-ZDUSSCGKSA-N	1	0	369.874	1.730	20	30		FDEDRO
N#CCc1ccc(CS(=O)(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1	ZINC000923687227	983292028	/nfs/dbraw/zinc/29/20/28/983292028.db2.gz	FDQZKDXTPYUAAW-KRWDZBQOSA-N	1	0	363.483	1.412	20	30		FDEDRO
CN1CC[NH+](CCCCNC(=O)Nc2ccc(F)cc2OCC#N)CC1	ZINC000135252761	983304083	/nfs/dbraw/zinc/30/40/83/983304083.db2.gz	YSFBPUDZTOIVHI-UHFFFAOYSA-N	1	0	363.437	1.877	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O	ZINC000860773096	983512275	/nfs/dbraw/zinc/51/22/75/983512275.db2.gz	FYOPFVVRBCDVDT-AWEZNQCLSA-N	1	0	363.393	1.189	20	30		FDEDRO
C=CCOc1cn(-c2ccccc2)nc1C(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1	ZINC000653244931	1014973729	/nfs/dbraw/zinc/97/37/29/1014973729.db2.gz	DDEWYFFYOMJPPI-NVXWUHKLSA-N	1	0	370.453	1.873	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1	ZINC000861585873	983785892	/nfs/dbraw/zinc/78/58/92/983785892.db2.gz	CZVFTCSWBWOCGY-SJORKVTESA-N	1	0	369.425	1.025	20	30		FDEDRO
COc1ccc(CNC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1C#N	ZINC000861614361	983792311	/nfs/dbraw/zinc/79/23/11/983792311.db2.gz	JMZHZHGBUUWWBY-SFHVURJKSA-N	1	0	372.469	1.867	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nc3c(s1)CCC3)C2	ZINC001110806440	983840216	/nfs/dbraw/zinc/84/02/16/983840216.db2.gz	PUAJDJKKZYCUOI-GBOPCIDUSA-N	1	0	372.494	1.105	20	30		FDEDRO
CCCCCCCNC(=O)C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1	ZINC000861785179	983919615	/nfs/dbraw/zinc/91/96/15/983919615.db2.gz	DOPLAIDBIYYYMH-DLBZAZTESA-N	1	0	353.507	1.818	20	30		FDEDRO
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C1(c2ccc(C#N)cc2)CCCC1	ZINC000862188191	984218808	/nfs/dbraw/zinc/21/88/08/984218808.db2.gz	KXOXYZKSMKRCMY-UHFFFAOYSA-N	1	0	370.497	1.848	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1OC	ZINC000862188313	984220029	/nfs/dbraw/zinc/22/00/29/984220029.db2.gz	QJXAHDFMMLYQSC-OAHLLOKOSA-N	1	0	361.442	1.240	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1	ZINC000862198301	984237887	/nfs/dbraw/zinc/23/78/87/984237887.db2.gz	XQQXCAOSVVTGTB-IBGZPJMESA-N	1	0	371.481	1.808	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1	ZINC000862198829	984238391	/nfs/dbraw/zinc/23/83/91/984238391.db2.gz	BLQZNFYJLRXJRG-SFHVURJKSA-N	1	0	357.454	1.418	20	30		FDEDRO
COCCN(C)c1ccc(CN2CCN(c3ccc(C#N)nc3)CC2)cn1	ZINC000862422403	984384525	/nfs/dbraw/zinc/38/45/25/984384525.db2.gz	ZBUSYLOXIFLJHR-UHFFFAOYSA-N	1	0	366.469	1.753	20	30		FDEDRO
C#CC[C@H]1CC[N@@H+](Cc2ccc(OCC(=O)N3CCOCC3)c(OC)c2)C1	ZINC000862443254	984391697	/nfs/dbraw/zinc/39/16/97/984391697.db2.gz	MZWXTJXWTKKSMA-KRWDZBQOSA-N	1	0	372.465	1.778	20	30		FDEDRO
C#CC[C@@H](COC)[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000862548286	984409276	/nfs/dbraw/zinc/40/92/76/984409276.db2.gz	BTHHERJMNHBJHD-INIZCTEOSA-N	1	0	366.483	1.476	20	30		FDEDRO
N#Cc1c[nH]c2cc(C(=O)N3CC[NH+]([C@@H]4CCNC(=O)CC4)CC3)ccc12	ZINC000868785771	984603829	/nfs/dbraw/zinc/60/38/29/984603829.db2.gz	VTMYULFEQBHOTM-INIZCTEOSA-N	1	0	365.437	1.466	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)cc1	ZINC000885870083	985732467	/nfs/dbraw/zinc/73/24/67/985732467.db2.gz	YJPPZJAFCUZZAL-WOJBJXKFSA-N	1	0	368.481	1.897	20	30		FDEDRO
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1	ZINC000885880598	985744889	/nfs/dbraw/zinc/74/48/89/985744889.db2.gz	VAZJAYGGHALUQG-BEFAXECRSA-N	1	0	365.474	1.618	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1COC(=O)Cn1ccc(Br)cc1=O	ZINC000870194764	985789931	/nfs/dbraw/zinc/78/99/31/985789931.db2.gz	SFHAXKXAEKAKDV-ZDUSSCGKSA-N	1	0	353.216	1.252	20	30		FDEDRO
CC(C)(C)OC(=O)NC[C@H]1CN(C[C@H](O)CC2(C#N)CCC2)CCO1	ZINC000886142858	985926212	/nfs/dbraw/zinc/92/62/12/985926212.db2.gz	MQSDHVDLBAPJFW-CABCVRRESA-N	1	0	353.463	1.657	20	30		FDEDRO
N#CCCn1cc(C[NH2+][C@H](CO)C[C@H]2CCCO2)c(-c2ccncc2)n1	ZINC000886223723	985980609	/nfs/dbraw/zinc/98/06/09/985980609.db2.gz	PLEZRTGLHKGBKY-ZWKOTPCHSA-N	1	0	355.442	1.878	20	30		FDEDRO
N#CC1(C[C@@H](O)CN2C[C@@H]3C[C@H]2C[N@@H+]3C[C@H](O)CC2(C#N)CCC2)CCC1	ZINC000886307414	986052913	/nfs/dbraw/zinc/05/29/13/986052913.db2.gz	RLYUWNHCVLASAF-INDMIFKZSA-N	1	0	372.513	1.635	20	30		FDEDRO
C=CCc1cc(C[NH2+]CC2(S(=O)(=O)N(C)C)CC2)cc(OC)c1O	ZINC000886320979	986064778	/nfs/dbraw/zinc/06/47/78/986064778.db2.gz	NADBVKMHKOPITD-UHFFFAOYSA-N	1	0	354.472	1.643	20	30		FDEDRO
CC[C@@H](C[NH+](C)C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000870550780	986114756	/nfs/dbraw/zinc/11/47/56/986114756.db2.gz	TVQLNQFVTKVNKK-JSGCOSHPSA-N	1	0	353.444	1.108	20	30		FDEDRO
C#CCC1([NH2+]Cc2ccc(OCC(=O)NCC)c(OC)c2)CCOCC1	ZINC000886381577	986125603	/nfs/dbraw/zinc/12/56/03/986125603.db2.gz	IZDGGVRJZKDPGR-UHFFFAOYSA-N	1	0	360.454	1.872	20	30		FDEDRO
C#CCN(C(=O)[C@H]1CCN1Cc1ccc(OC)cc1)C1CC[NH+](C)CC1	ZINC000886573594	986373609	/nfs/dbraw/zinc/37/36/09/986373609.db2.gz	OHGJPHNSRSPLNA-HXUWFJFHSA-N	1	0	355.482	1.826	20	30		FDEDRO
C#CCN(C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)C1CC[NH+](C)CC1	ZINC000886581370	986384226	/nfs/dbraw/zinc/38/42/26/986384226.db2.gz	VCIQMULSINCDIK-QGZVFWFLSA-N	1	0	367.449	1.061	20	30		FDEDRO
C#CCN(C(=O)[C@H]1CC(=O)N(Cc2ccc(C)cc2)C1)C1CC[NH+](C)CC1	ZINC000886587093	986391313	/nfs/dbraw/zinc/39/13/13/986391313.db2.gz	GPPUBZYDVFKYJU-IBGZPJMESA-N	1	0	367.493	1.900	20	30		FDEDRO
N#CCc1ccsc1C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1	ZINC000870852936	986432668	/nfs/dbraw/zinc/43/26/68/986432668.db2.gz	OHILYKSGZADFLD-UKRRQHHQSA-N	1	0	360.483	1.535	20	30		FDEDRO
C#CCOc1ccc([C@H](C)[NH2+]CCc2nnc3c(=O)n(C)ccn23)cc1	ZINC000886696189	986480845	/nfs/dbraw/zinc/48/08/45/986480845.db2.gz	ITYPMERORKVOAZ-AWEZNQCLSA-N	1	0	351.410	1.333	20	30		FDEDRO
CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)C1(C)C	ZINC000870981716	986558889	/nfs/dbraw/zinc/55/88/89/986558889.db2.gz	QKTSJOURVPIKNL-YLJYHZDGSA-N	1	0	356.470	1.739	20	30		FDEDRO
COC[C@H]([NH2+]CC#CCN1C(=O)c2ccccc2C1=O)[C@H]1CCCOC1	ZINC000886917697	986738696	/nfs/dbraw/zinc/73/86/96/986738696.db2.gz	IIFNPXOZIIQBGV-YJBOKZPZSA-N	1	0	356.422	1.317	20	30		FDEDRO
C[NH+](C)CCn1cc(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)cn1	ZINC000871179302	986759613	/nfs/dbraw/zinc/75/96/13/986759613.db2.gz	NDVFXUGLJLJULL-UHFFFAOYSA-N	1	0	363.425	1.813	20	30		FDEDRO
N#Cc1ccccc1OCCn1cnc2c(cnn2C2CC[NH2+]CC2)c1=O	ZINC000871676820	987190991	/nfs/dbraw/zinc/19/09/91/987190991.db2.gz	KWQZMABZVNCNCW-UHFFFAOYSA-N	1	0	364.409	1.468	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1	ZINC000795189244	987296230	/nfs/dbraw/zinc/29/62/30/987296230.db2.gz	FQVBPXCEZYZQJC-PXNSSMCTSA-N	1	0	368.408	1.916	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1	ZINC000872186771	987487628	/nfs/dbraw/zinc/48/76/28/987487628.db2.gz	NJQGZWCJMBNQJO-UONOGXRCSA-N	1	0	368.359	1.112	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1	ZINC000872192178	987497622	/nfs/dbraw/zinc/49/76/22/987497622.db2.gz	RYPJFGFDCJVTIK-SJLPKXTDSA-N	1	0	365.518	1.794	20	30		FDEDRO
N#Cc1ccc(NCC[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)nc1	ZINC000872198006	987509435	/nfs/dbraw/zinc/50/94/35/987509435.db2.gz	KYFSCOYATUTLDO-HXUWFJFHSA-N	1	0	351.454	1.592	20	30		FDEDRO
C#CCC1(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CCOCC1	ZINC000888596933	987522282	/nfs/dbraw/zinc/52/22/82/987522282.db2.gz	GGXRSTRWJIRQCM-ROUUACIJSA-N	1	0	363.502	1.626	20	30		FDEDRO
COC[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)c1cccc(Br)c1	ZINC000872235922	987534642	/nfs/dbraw/zinc/53/46/42/987534642.db2.gz	DFSXXYDHCLJFMV-HOTGVXAUSA-N	1	0	370.291	1.933	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1	ZINC000872259021	987553712	/nfs/dbraw/zinc/55/37/12/987553712.db2.gz	JGTJYMKCXDWQFB-MSOLQXFVSA-N	1	0	371.437	1.649	20	30		FDEDRO
C[C@@H]1C(N=Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)CC[N@@H+]1C	ZINC000872350771	987614852	/nfs/dbraw/zinc/61/48/52/987614852.db2.gz	FNEHOPZZHBTCKD-CQSZACIVSA-N	1	0	365.503	1.115	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1	ZINC000872476597	987700909	/nfs/dbraw/zinc/70/09/09/987700909.db2.gz	ZLOANPQCGZUPPS-AWEZNQCLSA-N	1	0	351.472	1.332	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(C(=O)c3cc(C#N)cc(N(C)C)c3)CC2)c1	ZINC000292889625	987924238	/nfs/dbraw/zinc/92/42/38/987924238.db2.gz	ZLFIMNNMUQCPSB-UHFFFAOYSA-N	1	0	365.437	1.990	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CC[N@@H+](C2CCC2)C1	ZINC000293271394	988011993	/nfs/dbraw/zinc/01/19/93/988011993.db2.gz	BBEZGZQGCPFUFC-HNNXBMFYSA-N	1	0	370.453	1.860	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H](CNC(N)=O)C1)C(C)C	ZINC000299010486	988036763	/nfs/dbraw/zinc/03/67/63/988036763.db2.gz	LIFJZKVGPREQED-IAGOWNOFSA-N	1	0	365.522	1.775	20	30		FDEDRO
Cc1nc(C2CCN([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)n[nH]1	ZINC000360854811	988180939	/nfs/dbraw/zinc/18/09/39/988180939.db2.gz	ZXTMLVNQAGTMKV-KRWDZBQOSA-N	1	0	350.426	1.970	20	30		FDEDRO
C#CCC[NH+]1CCN(Cc2nc(N)nc(Nc3ccc(F)cc3)n2)CC1	ZINC000299184731	988213035	/nfs/dbraw/zinc/21/30/35/988213035.db2.gz	AFGZDVCKNHZABW-UHFFFAOYSA-N	1	0	355.421	1.477	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1)[NH+]1CCC(C)CC1	ZINC000872925689	988292556	/nfs/dbraw/zinc/29/25/56/988292556.db2.gz	AEWONHLRUZCQPL-KRWDZBQOSA-N	1	0	370.501	1.905	20	30		FDEDRO
C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC000872925544	988292862	/nfs/dbraw/zinc/29/28/62/988292862.db2.gz	WNCAGDCRDMYTLI-INIZCTEOSA-N	1	0	356.474	1.659	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21	ZINC000361277810	988321447	/nfs/dbraw/zinc/32/14/47/988321447.db2.gz	FXEHSDSOXAAILB-XYJFISCASA-N	1	0	373.453	1.656	20	30		FDEDRO
C[NH+](C)CC1(CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)CCCC1	ZINC000872989168	988382454	/nfs/dbraw/zinc/38/24/54/988382454.db2.gz	MXEFYHLRIMHYNO-UHFFFAOYSA-N	1	0	370.501	1.907	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000361629174	988429537	/nfs/dbraw/zinc/42/95/37/988429537.db2.gz	IJESXCMNVWUPQU-IRXDYDNUSA-N	1	0	370.453	1.284	20	30		FDEDRO
Cc1cc(C)c(CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)cn1	ZINC000873037052	988457968	/nfs/dbraw/zinc/45/79/68/988457968.db2.gz	KQKSOQYYILEALS-UHFFFAOYSA-N	1	0	350.426	1.997	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1	ZINC000873062688	988498544	/nfs/dbraw/zinc/49/85/44/988498544.db2.gz	XCCQLPWBWWTZJI-INIZCTEOSA-N	1	0	356.474	1.658	20	30		FDEDRO
C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC000873071130	988507078	/nfs/dbraw/zinc/50/70/78/988507078.db2.gz	WSQWNJWVCUBAAV-QGZVFWFLSA-N	1	0	370.501	1.905	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c(Cl)c1	ZINC000873108088	988572048	/nfs/dbraw/zinc/57/20/48/988572048.db2.gz	TZUJLZVGSMLYHC-ZJUUUORDSA-N	1	0	374.750	1.746	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1	ZINC000873108330	988572792	/nfs/dbraw/zinc/57/27/92/988572792.db2.gz	XCBAAUBRDOYAHV-YPMHNXCESA-N	1	0	354.332	1.401	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)Cn2cnc3c2C[C@H](C)[C@@H](C)C3)CC1	ZINC000295089434	988604887	/nfs/dbraw/zinc/60/48/87/988604887.db2.gz	FFIRRLBPGLWKRU-BXWFABGCSA-N	1	0	357.502	1.946	20	30		FDEDRO
C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)cc1	ZINC000366300039	988605989	/nfs/dbraw/zinc/60/59/89/988605989.db2.gz	PZPPDZWVKAQHSM-AZUAARDMSA-N	1	0	357.498	1.756	20	30		FDEDRO
CC(=O)c1cccc(OC[C@H](O)C[NH+]2CCC(n3cnc(C#N)n3)CC2)c1	ZINC000366338028	988630236	/nfs/dbraw/zinc/63/02/36/988630236.db2.gz	AFSBDYVWQVMETH-QGZVFWFLSA-N	1	0	369.425	1.429	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1	ZINC000299632346	988641640	/nfs/dbraw/zinc/64/16/40/988641640.db2.gz	NWNMWDJKJCGQPH-CYBMUJFWSA-N	1	0	368.478	1.623	20	30		FDEDRO
C[C@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000366369316	988652652	/nfs/dbraw/zinc/65/26/52/988652652.db2.gz	ACRMPMHESARUID-OAHLLOKOSA-N	1	0	352.442	1.834	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2cn(-c3cccc(OC)c3)nn2)CC1	ZINC000362443611	988665694	/nfs/dbraw/zinc/66/56/94/988665694.db2.gz	XIEXILMVPZASCG-UHFFFAOYSA-N	1	0	370.457	1.726	20	30		FDEDRO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H]3C(=O)NC(=O)[C@H]3C2)cc1	ZINC000366434621	988696262	/nfs/dbraw/zinc/69/62/62/988696262.db2.gz	LAGCEPTUMABVGM-UAGQMJEPSA-N	1	0	368.437	1.225	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC2)cn1	ZINC000873333480	988718707	/nfs/dbraw/zinc/71/87/07/988718707.db2.gz	RFDSSPASLONTBN-ZDUSSCGKSA-N	1	0	356.352	1.065	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCCN([C@H]3CCN(CC=C)C3=O)CC2)C1=O	ZINC000367193242	988940095	/nfs/dbraw/zinc/94/00/95/988940095.db2.gz	FURQGWUQHGJCJT-OTWHNJEPSA-N	1	0	374.529	1.347	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1C#N	ZINC000873663260	988954490	/nfs/dbraw/zinc/95/44/90/988954490.db2.gz	GKGFWKINHJLADM-UONOGXRCSA-N	1	0	358.442	1.884	20	30		FDEDRO
CCN(C(=O)NCC(=O)NCC#N)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1	ZINC000367576425	988956130	/nfs/dbraw/zinc/95/61/30/988956130.db2.gz	PHUUVXKRYFELLP-NVXWUHKLSA-N	1	0	357.458	1.493	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000363185109	988977446	/nfs/dbraw/zinc/97/74/46/988977446.db2.gz	PMDLORAEMYNQJO-ZWKOTPCHSA-N	1	0	374.510	1.954	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1C#N	ZINC000873677982	988977953	/nfs/dbraw/zinc/97/79/53/988977953.db2.gz	YUPFJMCDHKMMRA-UHFFFAOYSA-N	1	0	365.393	1.249	20	30		FDEDRO
CCCC[C@@H](ON=C(C)C)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000368293157	988987114	/nfs/dbraw/zinc/98/71/14/988987114.db2.gz	GQJGIXQSYPRESK-ZWKOTPCHSA-N	1	0	368.522	1.480	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC(NC(=O)c3cccn3C)CC2)CC1	ZINC000369071179	989023847	/nfs/dbraw/zinc/02/38/47/989023847.db2.gz	DSBLEPHZSBKJHR-UHFFFAOYSA-N	1	0	373.501	1.579	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000363393601	989157842	/nfs/dbraw/zinc/15/78/42/989157842.db2.gz	SXXRIWZPMHMTKX-JENIJYKNSA-N	1	0	364.534	1.920	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@H](C)C#N)cc2F)CC1	ZINC000873788305	989190730	/nfs/dbraw/zinc/19/07/30/989190730.db2.gz	FNYHDFVQRWNZII-CYBMUJFWSA-N	1	0	361.421	1.182	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)cnc2OCC)CC1	ZINC000296549879	989276801	/nfs/dbraw/zinc/27/68/01/989276801.db2.gz	MTZXLIIWFCQTFS-UHFFFAOYSA-N	1	0	360.458	1.884	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1	ZINC000296582834	989303453	/nfs/dbraw/zinc/30/34/53/989303453.db2.gz	WIIYMRMMMIUYCA-QGZVFWFLSA-N	1	0	358.486	1.381	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H](C)CN3CCOCC3)C2)n1	ZINC000363588039	989326550	/nfs/dbraw/zinc/32/65/50/989326550.db2.gz	WFAAJCNWWSUCMU-AEFFLSMTSA-N	1	0	371.485	1.315	20	30		FDEDRO
CCC[N@H+](CC)CCNC(=O)N1CCCN(c2ncccc2C#N)CC1	ZINC000369988281	989362257	/nfs/dbraw/zinc/36/22/57/989362257.db2.gz	VFOWHDGZVLBDGP-UHFFFAOYSA-N	1	0	358.490	1.907	20	30		FDEDRO
C=C(C)COc1cccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1	ZINC000363681648	989392267	/nfs/dbraw/zinc/39/22/67/989392267.db2.gz	CWIBYFOFFIARMP-AEFFLSMTSA-N	1	0	373.453	1.559	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000296928924	989449405	/nfs/dbraw/zinc/44/94/05/989449405.db2.gz	OUYOJNVPIBYTHK-SFHVURJKSA-N	1	0	367.453	1.308	20	30		FDEDRO
N#Cc1ncn(C2CC[NH+](C[C@H]3CN(c4ccccc4)C(=O)O3)CC2)n1	ZINC000370133936	989479493	/nfs/dbraw/zinc/47/94/93/989479493.db2.gz	UHQRCWIVWXHYGM-INIZCTEOSA-N	1	0	352.398	1.812	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1	ZINC000297170402	989487829	/nfs/dbraw/zinc/48/78/29/989487829.db2.gz	VQYURCXOWZSPDJ-LJQANCHMSA-N	1	0	371.481	1.952	20	30		FDEDRO
CN(C(=O)C(=O)Nc1ccc(C#N)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000364142403	989501259	/nfs/dbraw/zinc/50/12/59/989501259.db2.gz	KYLSUKXLDXGXBK-SFHVURJKSA-N	1	0	369.469	1.124	20	30		FDEDRO
C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000370311189	989650433	/nfs/dbraw/zinc/65/04/33/989650433.db2.gz	VXNPCNOGBIXZEV-CRAIPNDOSA-N	1	0	370.501	1.904	20	30		FDEDRO
CON=C(C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1csc(N)n1	ZINC000874102226	989750368	/nfs/dbraw/zinc/75/03/68/989750368.db2.gz	XBHDUBDIRNKICL-CYBMUJFWSA-N	1	0	365.434	1.634	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2ccncc2)CC1	ZINC000364833191	989828143	/nfs/dbraw/zinc/82/81/43/989828143.db2.gz	JYIDFPZLDBQHDL-SFHVURJKSA-N	1	0	356.470	1.843	20	30		FDEDRO
Cn1ccnc1C[C@H]1CCCN(C(=O)C#Cc2ccc3c(c2)OCO3)C1	ZINC000370615289	989900417	/nfs/dbraw/zinc/90/04/17/989900417.db2.gz	BEZKBAVYHKNBAE-MRXNPFEDSA-N	1	0	351.406	1.982	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1	ZINC000298238653	989982412	/nfs/dbraw/zinc/98/24/12/989982412.db2.gz	IYDKSOHPFKUJHK-MISYRCLQSA-N	1	0	373.497	1.686	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1CCC2(C[C@@H]2c2nnc(C(C)C)o2)CC1	ZINC000370823828	990018371	/nfs/dbraw/zinc/01/83/71/990018371.db2.gz	QWUVKGWRTXLGHI-CYBMUJFWSA-N	1	0	361.446	1.774	20	30		FDEDRO
N#Cc1ccc(CNC(=O)CN2CCC[C@@H](c3nnc4n3CCC4)C2)cc1	ZINC000365133937	990054308	/nfs/dbraw/zinc/05/43/08/990054308.db2.gz	MWCCCRNTTIVAHP-QGZVFWFLSA-N	1	0	364.453	1.592	20	30		FDEDRO
Cc1nc(C(=O)N(C)C2CCN(CC(=O)N3CCCC3)CC2)ccc1C#N	ZINC000370886550	990089622	/nfs/dbraw/zinc/08/96/22/990089622.db2.gz	PLDHQOMYMKIKFK-UHFFFAOYSA-N	1	0	369.469	1.421	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N(C)C[C@H](C)C#N	ZINC000298589943	990182147	/nfs/dbraw/zinc/18/21/47/990182147.db2.gz	PFGQUXNBLRIQNP-AEFFLSMTSA-N	1	0	371.485	1.513	20	30		FDEDRO
C=CCOCCCC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC[NH+](C)C	ZINC000298708231	990235138	/nfs/dbraw/zinc/23/51/38/990235138.db2.gz	ZKMIRTIVUBEDJO-IBGZPJMESA-N	1	0	373.497	1.601	20	30		FDEDRO
COc1ccc([C@@H](CCC#N)[NH2+]C2CCN(c3nnnn3C)CC2)cc1	ZINC000365488233	990245665	/nfs/dbraw/zinc/24/56/65/990245665.db2.gz	DRGAQYZUOYHXQH-QGZVFWFLSA-N	1	0	355.446	1.822	20	30		FDEDRO
CC[NH+](CC)CCNC(=O)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000371108665	990254743	/nfs/dbraw/zinc/25/47/43/990254743.db2.gz	KLGFRJSEEKLNAQ-KUHUBIRLSA-N	1	0	355.442	1.383	20	30		FDEDRO
C=C(Cl)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2	ZINC001095429476	990261458	/nfs/dbraw/zinc/26/14/58/990261458.db2.gz	ZRQGRWVECIMTKM-KBMXLJTQSA-N	1	0	351.882	1.532	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCn2c(C)csc2=O)C1	ZINC000968718836	1015567132	/nfs/dbraw/zinc/56/71/32/1015567132.db2.gz	AODMCDFKYMOSHV-OAGGEKHMSA-N	1	0	365.499	1.390	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(C(N)=O)c2)C1	ZINC000968719220	1015567404	/nfs/dbraw/zinc/56/74/04/1015567404.db2.gz	MUWDLMIZYXAOLA-KURKYZTESA-N	1	0	357.454	1.457	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C	ZINC000964591806	1015573851	/nfs/dbraw/zinc/57/38/51/1015573851.db2.gz	MEZHOAKTSUUYHQ-BDXSIMOUSA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@H]2CCCN(c3cccc(F)c3)C2=O)CC1	ZINC000371664071	990608254	/nfs/dbraw/zinc/60/82/54/990608254.db2.gz	PPYADYICTXHAKK-SFHVURJKSA-N	1	0	357.429	1.783	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C	ZINC000875059253	990805502	/nfs/dbraw/zinc/80/55/02/990805502.db2.gz	MWGDCPDGFMSXNE-IAGOWNOFSA-N	1	0	363.433	1.089	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000875060896	990810871	/nfs/dbraw/zinc/81/08/71/990810871.db2.gz	GWJQYDNDDAYJLF-IXDOHACOSA-N	1	0	351.491	1.015	20	30		FDEDRO
C=CCNc1ncc(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)s1	ZINC000372073442	990913835	/nfs/dbraw/zinc/91/38/35/990913835.db2.gz	WYWKYMQGRPZBIL-CZUORRHYSA-N	1	0	374.514	2.287	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1	ZINC000875113054	990914119	/nfs/dbraw/zinc/91/41/19/990914119.db2.gz	FJCUICJYIDTIMM-FRQCXROJSA-N	1	0	351.491	1.158	20	30		FDEDRO
C[C@H](CC[NH+](C)C)NC(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000372208096	990960876	/nfs/dbraw/zinc/96/08/76/990960876.db2.gz	AWEFXSJETNMFMC-TYILLQQXSA-N	1	0	355.442	1.382	20	30		FDEDRO
CO/N=C/c1ccc(C(=O)N2CCN(CC[N@@H+]3CCCOCC3)CC2)cc1	ZINC000372266205	990986011	/nfs/dbraw/zinc/98/60/11/990986011.db2.gz	FAUPHDVLNGXDCK-HEHNFIMWSA-N	1	0	374.485	1.147	20	30		FDEDRO
CCCCCCCNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000875177604	991013180	/nfs/dbraw/zinc/01/31/80/991013180.db2.gz	FODKEMVPMAGVJZ-UHFFFAOYSA-N	1	0	353.507	1.834	20	30		FDEDRO
C[NH+](C)CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1coc(C#N)c1	ZINC000875179655	991018250	/nfs/dbraw/zinc/01/82/50/991018250.db2.gz	HLXLOVMHHRWDQV-GOSISDBHSA-N	1	0	366.421	1.396	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CO	ZINC000372653607	991304138	/nfs/dbraw/zinc/30/41/38/991304138.db2.gz	KZDIZTWPRUZVTI-IAGOWNOFSA-N	1	0	370.453	1.253	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1	ZINC000875350780	991373563	/nfs/dbraw/zinc/37/35/63/991373563.db2.gz	QTZYPGJKWAWPFJ-RXVVDRJESA-N	1	0	371.481	1.169	20	30		FDEDRO
CN1C(=O)C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C2CC2)[C@@H]1c1ccc(F)cc1	ZINC000372799337	991541634	/nfs/dbraw/zinc/54/16/34/991541634.db2.gz	GRRPIUWVTVRBSL-ZYSHUDEJSA-N	1	0	358.417	1.496	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CCOC)CC1CC[NH+](C)CC1	ZINC000875555141	991730260	/nfs/dbraw/zinc/73/02/60/991730260.db2.gz	KOCYCSMQRKIXOU-MSOLQXFVSA-N	1	0	353.507	1.967	20	30		FDEDRO
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CC#Cc1ccccc1)c1cccn2nnnc12	ZINC001095470475	991807110	/nfs/dbraw/zinc/80/71/10/991807110.db2.gz	IOPINKFKLFDEMU-NEWSRXKRSA-N	1	0	372.432	1.511	20	30		FDEDRO
C#C[C@@H](NC(=O)NCC[N@H+]1CC[C@H](O)C1)c1ccc(Br)cc1	ZINC000875724523	991948870	/nfs/dbraw/zinc/94/88/70/991948870.db2.gz	FJIDSRLWTVJMBL-LSDHHAIUSA-N	1	0	366.259	1.489	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)[C@H]2C1	ZINC000373301126	992145904	/nfs/dbraw/zinc/14/59/04/992145904.db2.gz	FOPJXWMMLRYSNB-PBHICJAKSA-N	1	0	368.416	2.441	20	30		FDEDRO
CSC1([C@H](C#N)N(C)C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)CC1	ZINC000876459043	992619474	/nfs/dbraw/zinc/61/94/74/992619474.db2.gz	YTQAZWGWBBLLTB-STQMWFEESA-N	1	0	370.519	1.687	20	30		FDEDRO
CCN1C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)CC1=O	ZINC001095492245	992651568	/nfs/dbraw/zinc/65/15/68/992651568.db2.gz	XBMLAEZSCLLTTQ-YRXWBPOGSA-N	1	0	366.465	1.648	20	30		FDEDRO
C#CCN(Cc1ccc(F)cc1)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O	ZINC000125978108	992662326	/nfs/dbraw/zinc/66/23/26/992662326.db2.gz	SXFMYLOKNHQAON-UHFFFAOYSA-N	1	0	358.417	1.235	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CCCC2(CC[NH+](C)CC2)C1	ZINC000374182454	992676911	/nfs/dbraw/zinc/67/69/11/992676911.db2.gz	IVHWLMVDYDYZLR-UHFFFAOYSA-N	1	0	369.465	1.972	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)Nn1cnc2sc3c(c2c1=O)CCCC3	ZINC000876549523	992698199	/nfs/dbraw/zinc/69/81/99/992698199.db2.gz	FSTCPXYRZAILAF-JTQLQIEISA-N	1	0	352.847	1.877	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC2CCC(C#N)CC2)CC1=O	ZINC000374237076	992718025	/nfs/dbraw/zinc/71/80/25/992718025.db2.gz	IQEXIBKEXMFEQE-ZGUYJTEBSA-N	1	0	360.502	1.765	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NCCNC(=O)c1ccc(Br)cc1	ZINC000876609172	992740752	/nfs/dbraw/zinc/74/07/52/992740752.db2.gz	PUWNVWSGLNTMLT-LBPRGKRZSA-N	1	0	374.666	1.765	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@H](CCOC)NC(=O)OC(C)(C)C)CC1	ZINC000876634713	992759613	/nfs/dbraw/zinc/75/96/13/992759613.db2.gz	ZHKBNOGNSMXWIR-INIZCTEOSA-N	1	0	367.490	1.378	20	30		FDEDRO
CC(C)N1C(=S)N=NC1CCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000876650741	992771543	/nfs/dbraw/zinc/77/15/43/992771543.db2.gz	IFGJHTJQDSWOIM-INIZCTEOSA-N	1	0	370.482	1.565	20	30		FDEDRO
COC(=O)[C@H](CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)c1ccccc1	ZINC000876685468	992794767	/nfs/dbraw/zinc/79/47/67/992794767.db2.gz	QYDMQYZBAIVBQV-MOPGFXCFSA-N	1	0	363.417	1.818	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CCNS(=O)(=O)c1ccc(C)cc1	ZINC000876685549	992794883	/nfs/dbraw/zinc/79/48/83/992794883.db2.gz	GUKFPMITEDZOEV-AWEZNQCLSA-N	1	0	359.879	1.202	20	30		FDEDRO
Cc1cc(CN2CCN(C(=O)[C@@H]3[NH2+]CCc4cc(C#N)ccc43)CC2)no1	ZINC000876712207	992818593	/nfs/dbraw/zinc/81/85/93/992818593.db2.gz	NTKKXRXGVLVWSH-LJQANCHMSA-N	1	0	365.437	1.386	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCCN(CC(F)(F)F)CC1	ZINC000876717951	992826815	/nfs/dbraw/zinc/82/68/15/992826815.db2.gz	JGKOZCLXKLEJGD-INIZCTEOSA-N	1	0	366.387	1.842	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(C)cc1)N1CCOCC1	ZINC000876733426	992848080	/nfs/dbraw/zinc/84/80/80/992848080.db2.gz	XSMNRVYYDDGPOV-IAGOWNOFSA-N	1	0	351.878	1.954	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)CC1	ZINC000374703499	992924155	/nfs/dbraw/zinc/92/41/55/992924155.db2.gz	MAYQVSNDXHUQOH-AEFFLSMTSA-N	1	0	365.518	1.894	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1	ZINC000412460196	992933755	/nfs/dbraw/zinc/93/37/55/992933755.db2.gz	GKDMOFZIGLUGIC-UHFFFAOYSA-N	1	0	374.485	1.173	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@@H](C(N)=O)c1cccc(Br)c1	ZINC000876889150	992949984	/nfs/dbraw/zinc/94/99/84/992949984.db2.gz	KBXBUYLPRJVXNY-NWDGAFQWSA-N	1	0	374.666	1.904	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CCN(S(=O)(=O)CC(C)C)CC1	ZINC000876904524	992961033	/nfs/dbraw/zinc/96/10/33/992961033.db2.gz	DCJIHRXYQSUSSL-CYBMUJFWSA-N	1	0	351.900	1.023	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@]3(CCC[NH2+]3)C2)s1	ZINC000876924725	992969450	/nfs/dbraw/zinc/96/94/50/992969450.db2.gz	UUUGZORPSXQDAK-INIZCTEOSA-N	1	0	369.512	1.109	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1	ZINC000375064166	992988586	/nfs/dbraw/zinc/98/85/86/992988586.db2.gz	HQJXFWVAVAJOCD-WMLDXEAASA-N	1	0	370.453	1.094	20	30		FDEDRO
COCC[C@H]1CCCC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1	ZINC000375105455	992995378	/nfs/dbraw/zinc/99/53/78/992995378.db2.gz	MFUNHBDKQKXKOM-MOPGFXCFSA-N	1	0	364.534	1.817	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCCCC[C@H]([NH3+])C2)ccc1F	ZINC000877128002	993062486	/nfs/dbraw/zinc/06/24/86/993062486.db2.gz	OYZZAUUTPLPGQZ-AWEZNQCLSA-N	1	0	369.462	1.634	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@@H](n1cncn1)C(F)(F)F	ZINC000877148414	993071232	/nfs/dbraw/zinc/07/12/32/993071232.db2.gz	JWIWHODPKFXPFP-ZIAGYGMSSA-N	1	0	364.331	1.256	20	30		FDEDRO
C[S@](=O)C1(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)CC[NH2+]CC1	ZINC000877214975	993111783	/nfs/dbraw/zinc/11/17/83/993111783.db2.gz	GXKHBQRFGMMAEG-SANMLTNESA-N	1	0	371.466	1.242	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)C3(n4cccn4)CC[NH2+]CC3)CC2)cc1	ZINC000877251108	993149898	/nfs/dbraw/zinc/14/98/98/993149898.db2.gz	YMRNQDBTKAVTPF-UHFFFAOYSA-N	1	0	364.453	1.182	20	30		FDEDRO
COc1cccc(C[C@H]([NH3+])C(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1	ZINC000877297223	993195159	/nfs/dbraw/zinc/19/51/59/993195159.db2.gz	QDXMIDVIESEEJT-IBGZPJMESA-N	1	0	365.437	1.180	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(C)CCCCCC[NH3+])c1	ZINC000877442615	993286794	/nfs/dbraw/zinc/28/67/94/993286794.db2.gz	QJWXYDRXOBQJCM-UHFFFAOYSA-N	1	0	353.488	1.742	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1	ZINC000467338235	993292027	/nfs/dbraw/zinc/29/20/27/993292027.db2.gz	YLNVKPKXCJKCTR-UHFFFAOYSA-N	1	0	372.469	1.437	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CCn1cncn1	ZINC000968861144	1015771903	/nfs/dbraw/zinc/77/19/03/1015771903.db2.gz	HCAMQDXMNKGIJX-KURKYZTESA-N	1	0	361.490	1.620	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1cnn(C)c1	ZINC001095537881	993300973	/nfs/dbraw/zinc/30/09/73/993300973.db2.gz	NSDRPTDRVIBZGP-SQNIBIBYSA-N	1	0	353.470	1.985	20	30		FDEDRO
C[C@H](Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)NC1(C#N)CCC1	ZINC000468774647	993647483	/nfs/dbraw/zinc/64/74/83/993647483.db2.gz	AVCDXJUZSXKPRW-INIZCTEOSA-N	1	0	356.470	1.924	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1	ZINC000965046259	1015800154	/nfs/dbraw/zinc/80/01/54/1015800154.db2.gz	OVOVHSVVEAHPIU-BBWFWOEESA-N	1	0	361.486	1.171	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(=O)n(CCOC)c1)C2	ZINC001095681262	993998774	/nfs/dbraw/zinc/99/87/74/993998774.db2.gz	RFCOGVSUIYBVHQ-SQNIBIBYSA-N	1	0	359.470	1.796	20	30		FDEDRO
CCOC(=O)[C@@H]1C[N@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)CC12COC2	ZINC000878658817	994096196	/nfs/dbraw/zinc/09/61/96/994096196.db2.gz	VASJLHKQQZSIPW-RXVVDRJESA-N	1	0	370.449	1.939	20	30		FDEDRO
C[C@@H]1C[N@@H+](C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C[C@H](C)N1CC#N	ZINC000878772040	994214993	/nfs/dbraw/zinc/21/49/93/994214993.db2.gz	CYNCBLYNXOFDBU-DAYGRLMNSA-N	1	0	352.479	1.276	20	30		FDEDRO
C=CCOC(=O)[C@H](CC(=O)N1CCN(C)[C@H](C)C1)NC(=O)OC(C)(C)C	ZINC000878976999	994400414	/nfs/dbraw/zinc/40/04/14/994400414.db2.gz	LVMRPJQCZFBRLS-KGLIPLIRSA-N	1	0	369.462	1.162	20	30		FDEDRO
C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+](C)CCc1cccc(C#N)c1	ZINC000879432539	994909716	/nfs/dbraw/zinc/90/97/16/994909716.db2.gz	CAJIBRGYMRTOAU-NSHDSACASA-N	1	0	356.348	1.809	20	30		FDEDRO
CN1C[C@H](CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1=O	ZINC000924731010	994956441	/nfs/dbraw/zinc/95/64/41/994956441.db2.gz	REYYWDDVRWTGKV-GOSISDBHSA-N	1	0	371.485	1.500	20	30		FDEDRO
CN1C[C@@H](CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1=O	ZINC000924731015	994956816	/nfs/dbraw/zinc/95/68/16/994956816.db2.gz	REYYWDDVRWTGKV-SFHVURJKSA-N	1	0	371.485	1.500	20	30		FDEDRO
CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CC[N@H+](CC(=O)NCC#N)C1	ZINC000879653985	995136617	/nfs/dbraw/zinc/13/66/17/995136617.db2.gz	ZUAJJTYCVBYJPH-GOSISDBHSA-N	1	0	352.479	1.889	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNC(=O)C(F)(F)F	ZINC001110897361	995186702	/nfs/dbraw/zinc/18/67/02/995186702.db2.gz	JZNFGTPAAZOUKL-UPJWGTAASA-N	1	0	361.408	1.989	20	30		FDEDRO
CSC[C@H]1NC(=O)N(C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1=O	ZINC000924971921	995199009	/nfs/dbraw/zinc/19/90/09/995199009.db2.gz	ZEAFGEHFPITBJQ-MRXNPFEDSA-N	1	0	358.467	1.806	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+]C2([C@H]3CCCCO3)CCC2)CC1	ZINC000879734304	995236865	/nfs/dbraw/zinc/23/68/65/995236865.db2.gz	ISUQIATXYPXTFD-QZTJIDSGSA-N	1	0	362.518	1.760	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCC2(C)CCN(c3ccnc(C#N)n3)CC2)CC[N@@H+]1C	ZINC001110897856	995252439	/nfs/dbraw/zinc/25/24/39/995252439.db2.gz	BENFHEOHUZUOOC-JKSUJKDBSA-N	1	0	370.501	1.801	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCC2(C)CCN(c3nccnc3C#N)CC2)CC[N@@H+]1C	ZINC001110897869	995253564	/nfs/dbraw/zinc/25/35/64/995253564.db2.gz	CIWOOVAWYAWVJB-DOTOQJQBSA-N	1	0	370.501	1.801	20	30		FDEDRO
CONC(=O)C1CC[NH+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1	ZINC000879924297	995399884	/nfs/dbraw/zinc/39/98/84/995399884.db2.gz	JJKCAYGDFJKGOO-HVEKOLDVSA-N	1	0	364.490	1.695	20	30		FDEDRO
C=CCN1C(=O)N(C2CC[NH+](CCO)CC2)C(=O)[C@H]1Cc1ccccc1	ZINC000925302879	995470723	/nfs/dbraw/zinc/47/07/23/995470723.db2.gz	JOKDGQQSJLVUDW-GOSISDBHSA-N	1	0	357.454	1.505	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1CCc2c(nnn2C)C1)C(C)C	ZINC000654379726	1015952934	/nfs/dbraw/zinc/95/29/34/1015952934.db2.gz	JTSRIEQIQSPGAF-QAPCUYQASA-N	1	0	360.506	1.670	20	30		FDEDRO
C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000925495489	995629333	/nfs/dbraw/zinc/62/93/33/995629333.db2.gz	OMDDIHVBFWFDMM-ORIGZDJFSA-N	1	0	369.425	1.035	20	30		FDEDRO
CCOC(=O)[C@@H]1CN(CC(=O)N[C@@](C)(C#N)C2CC2)C[C@H]1C(F)(F)F	ZINC000880155986	995692529	/nfs/dbraw/zinc/69/25/29/995692529.db2.gz	VIDDLGOKQIARPK-JMSVASOKSA-N	1	0	361.364	1.468	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1	ZINC000880211512	995723730	/nfs/dbraw/zinc/72/37/30/995723730.db2.gz	PIFHGKLCKVYFOR-SJLPKXTDSA-N	1	0	362.518	1.951	20	30		FDEDRO
N#Cc1cccnc1-n1cc(NC(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)cn1	ZINC000926090426	995915888	/nfs/dbraw/zinc/91/58/88/995915888.db2.gz	GVVQFXOWNDRMCP-GOSISDBHSA-N	1	0	351.414	1.889	20	30		FDEDRO
C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O	ZINC000926143251	995935410	/nfs/dbraw/zinc/93/54/10/995935410.db2.gz	NEZNDAKURZSMGV-GGPCPXQKSA-N	1	0	350.503	1.954	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O	ZINC000926166884	995953098	/nfs/dbraw/zinc/95/30/98/995953098.db2.gz	RNPMIKYEJDDUOI-YZDADXEPSA-N	1	0	359.470	1.856	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)Cc1cccc(OCC#N)c1)C2	ZINC000926167315	995953189	/nfs/dbraw/zinc/95/31/89/995953189.db2.gz	ZLKGHIHKDOLTAX-QCFAMHMHSA-N	1	0	371.481	1.727	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O	ZINC000926233796	995982113	/nfs/dbraw/zinc/98/21/13/995982113.db2.gz	AZWRMBVIQNEEFT-ZIVNCQHPSA-N	1	0	365.518	1.443	20	30		FDEDRO
CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3cccc(C#CCO)c3)C2)[C@H]1C(C)C	ZINC000926267907	996010782	/nfs/dbraw/zinc/01/07/82/996010782.db2.gz	BPJAVSDVSUKTGE-NXLVEIQXSA-N	1	0	370.493	1.630	20	30		FDEDRO
CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3cccc(C#CCO)c3)C2)[C@H]1C(C)C	ZINC000926267909	996010974	/nfs/dbraw/zinc/01/09/74/996010974.db2.gz	BPJAVSDVSUKTGE-VMBXEPDQSA-N	1	0	370.493	1.630	20	30		FDEDRO
C=CCCN(OCc1ccccc1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1	ZINC000926362101	996088438	/nfs/dbraw/zinc/08/84/38/996088438.db2.gz	VCQZJWNAOQWODW-ZWKOTPCHSA-N	1	0	357.454	1.591	20	30		FDEDRO
C#CCN(C)CCC[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2	ZINC000926491971	996175792	/nfs/dbraw/zinc/17/57/92/996175792.db2.gz	ZDDRXQKPFGIQPJ-KNCDZKKRSA-N	1	0	365.518	1.849	20	30		FDEDRO
Cc1ccc(CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1C#N	ZINC000926868291	996350580	/nfs/dbraw/zinc/35/05/80/996350580.db2.gz	VWTALRAZLUGLTR-GOSISDBHSA-N	1	0	369.469	1.315	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1C[C@](O)(c1ccnn1C)C2	ZINC000887051036	996879100	/nfs/dbraw/zinc/87/91/00/996879100.db2.gz	RXSAYIZEYKYIMK-YIOZNXECSA-N	1	0	359.474	1.243	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2	ZINC000887276439	997084933	/nfs/dbraw/zinc/08/49/33/997084933.db2.gz	NBVNWEYFDGZZGS-UHFFFAOYSA-N	1	0	367.490	1.733	20	30		FDEDRO
C=C(C)CNc1nc(-c2cn(CCN3CC[NH+](C)CC3)nn2)c(C)s1	ZINC000887467306	997297792	/nfs/dbraw/zinc/29/77/92/997297792.db2.gz	MWVRTZJWWBEWAL-UHFFFAOYSA-N	1	0	361.519	1.945	20	30		FDEDRO
CC[C@H](C)NC(=[NH2+])NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1	ZINC000264070948	997395746	/nfs/dbraw/zinc/39/57/46/997395746.db2.gz	GDJJCYYIADDNRQ-GOEBONIOSA-N	1	0	364.490	1.780	20	30		FDEDRO
CC[C@@H](C)NC(=[NH2+])NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1	ZINC000264068787	997395950	/nfs/dbraw/zinc/39/59/50/997395950.db2.gz	CNUPBUXMUPCPIJ-ZBFHGGJFSA-N	1	0	362.474	1.563	20	30		FDEDRO
CCCCOc1ncccc1CNC(=[NH2+])N1CCN(c2ncccn2)CC1	ZINC000264109321	997402626	/nfs/dbraw/zinc/40/26/26/997402626.db2.gz	QHXPRZBBVKMLGM-UHFFFAOYSA-N	1	0	369.473	1.687	20	30		FDEDRO
CN(C)C(=[NH+]Cc1cccc(NC(=O)CCN2CCOCC2)c1)N(C)C	ZINC000264114844	997405747	/nfs/dbraw/zinc/40/57/47/997405747.db2.gz	SBZBUCCJMMVHQW-UHFFFAOYSA-N	1	0	361.490	1.327	20	30		FDEDRO
C=C(C)CNC(=[NH2+])NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1	ZINC000264143593	997412928	/nfs/dbraw/zinc/41/29/28/997412928.db2.gz	XFOCUSVACIUOQJ-MRXNPFEDSA-N	1	0	362.474	1.558	20	30		FDEDRO
COc1ccccc1CNC(=[NH2+])NCCCNC(=O)c1cccc(O)c1	ZINC000264326275	997462182	/nfs/dbraw/zinc/46/21/82/997462182.db2.gz	YZIYFIDSOZKSFD-UHFFFAOYSA-N	1	0	356.426	1.625	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)c1	ZINC000264366092	997482421	/nfs/dbraw/zinc/48/24/21/997482421.db2.gz	VWVIADAVADSLOW-UHFFFAOYSA-N	1	0	355.438	1.368	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O	ZINC000264452054	997515925	/nfs/dbraw/zinc/51/59/25/997515925.db2.gz	GXNRYTSENZOIFD-GOSISDBHSA-N	1	0	358.486	1.767	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2cnn3c2[nH]c(=O)c2ccccc23)CC1	ZINC000264459676	997517447	/nfs/dbraw/zinc/51/74/47/997517447.db2.gz	FUHWRBRNBLKUIC-UHFFFAOYSA-N	1	0	365.437	1.946	20	30		FDEDRO
C#CCNC(=O)c1ccc(N2CCN(c3cc(OC)cc[nH+]3)CC2)nc1	ZINC000264832315	997628348	/nfs/dbraw/zinc/62/83/48/997628348.db2.gz	DHEDHPJTRPDDSJ-UHFFFAOYSA-N	1	0	351.410	1.175	20	30		FDEDRO
C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CCNC(=O)C2N=CC=CC2=O)C1	ZINC000265064617	997687788	/nfs/dbraw/zinc/68/77/88/997687788.db2.gz	UEMGXTCYDPSCMJ-NOJWBWKLSA-N	1	0	362.474	1.387	20	30		FDEDRO
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1	ZINC000887738651	997714650	/nfs/dbraw/zinc/71/46/50/997714650.db2.gz	FECUCMKXNFZOQE-SFHVURJKSA-N	1	0	357.454	1.817	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@@H](O)c2ccccc2F)CC1	ZINC000104168874	998312253	/nfs/dbraw/zinc/31/22/53/998312253.db2.gz	PYQROAWMILEGJD-OAHLLOKOSA-N	1	0	366.437	1.727	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(CC#N)n1)Cc1ccccc1	ZINC000889766672	998622258	/nfs/dbraw/zinc/62/22/58/998622258.db2.gz	VUVUGYRLAVOSNI-KRWDZBQOSA-N	1	0	365.437	1.375	20	30		FDEDRO
C#CCC[C@H](O)CNC(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000889996060	998763267	/nfs/dbraw/zinc/76/32/67/998763267.db2.gz	LRFODYGBRKMOHZ-IBGZPJMESA-N	1	0	373.497	1.477	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)CC1	ZINC000890286316	998891912	/nfs/dbraw/zinc/89/19/12/998891912.db2.gz	LZUVJAJRGZFSLJ-IKGGRYGDSA-N	1	0	361.486	1.988	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC(=O)N(c3cn[nH]c3)C1)C2	ZINC001095410690	998998493	/nfs/dbraw/zinc/99/84/93/998998493.db2.gz	PWDUGXXHFSXGSN-JHNDHUHGSA-N	1	0	357.458	1.450	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3nc(C)nn3C1)C2	ZINC001110839368	999010576	/nfs/dbraw/zinc/01/05/76/999010576.db2.gz	CQNVMCQOUZTMAO-VQHPVUNQSA-N	1	0	359.474	1.073	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn3cc(F)ccc3n1)C2	ZINC001110867306	999080213	/nfs/dbraw/zinc/08/02/13/999080213.db2.gz	JFVXTCFPKIGSIC-KURKYZTESA-N	1	0	372.444	1.940	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2	ZINC000266708142	999217059	/nfs/dbraw/zinc/21/70/59/999217059.db2.gz	PZHDWNZYKNBZEH-TYNCELHUSA-N	1	0	374.441	1.847	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C(=O)OC)ccc2F)CC1	ZINC000266713272	999218521	/nfs/dbraw/zinc/21/85/21/999218521.db2.gz	NSRQQFYBKDKWNH-UHFFFAOYSA-N	1	0	363.389	1.317	20	30		FDEDRO
CCO[C@H](CCNC(=[NH2+])N1CCN(c2ncccn2)CC1)C1CCCC1	ZINC000266981578	999282549	/nfs/dbraw/zinc/28/25/49/999282549.db2.gz	NAHOJDHWJVSJJM-QGZVFWFLSA-N	1	0	360.506	1.899	20	30		FDEDRO
COc1ccccc1CNC(=O)CON=C(N)c1ccc(C[NH+](C)C)cc1	ZINC000267038709	999291325	/nfs/dbraw/zinc/29/13/25/999291325.db2.gz	YFVMJRCGZIUMLD-UHFFFAOYSA-N	1	0	370.453	1.710	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NC[C@@H](CO)c2ccccc2)cc1OC	ZINC000267401464	999326302	/nfs/dbraw/zinc/32/63/02/999326302.db2.gz	GCILWJUXRWVBNR-KRWDZBQOSA-N	1	0	357.454	1.927	20	30		FDEDRO
COCCCOc1cccc(CNC(=[NH2+])NCCCN2CCOCC2)c1	ZINC000269668355	999471214	/nfs/dbraw/zinc/47/12/14/999471214.db2.gz	AHAFUBCUILRWRJ-UHFFFAOYSA-N	1	0	364.490	1.229	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1cccc(OCCCOC)c1	ZINC000269863372	999478378	/nfs/dbraw/zinc/47/83/78/999478378.db2.gz	JSYFTYQXOAUNDO-UHFFFAOYSA-N	1	0	364.490	1.099	20	30		FDEDRO
CNC(=O)CCC[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC	ZINC000269971262	999493994	/nfs/dbraw/zinc/49/39/94/999493994.db2.gz	RKVVISGCVLQTLV-HNNXBMFYSA-N	1	0	360.458	1.788	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000270129411	999515817	/nfs/dbraw/zinc/51/58/17/999515817.db2.gz	BCNQSNNNVFJACT-GJZGRUSLSA-N	1	0	354.454	1.684	20	30		FDEDRO
C[N@@H+]1CC[C@H](NC(=O)CCNC(=O)C2N=CC=CC2=O)[C@@H]1c1ccccc1	ZINC000270658077	999594080	/nfs/dbraw/zinc/59/40/80/999594080.db2.gz	NVXMKEFIKAZJGB-CKXBDKALSA-N	1	0	368.437	1.465	20	30		FDEDRO
CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1	ZINC000271000006	999647376	/nfs/dbraw/zinc/64/73/76/999647376.db2.gz	BQTJXYNMSVIUKT-OAHLLOKOSA-N	1	0	360.462	1.424	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)nn1CCC#N	ZINC000271030822	999650908	/nfs/dbraw/zinc/65/09/08/999650908.db2.gz	IFRHFHAKLAMYBC-CQSZACIVSA-N	1	0	362.478	1.526	20	30		FDEDRO
CCOC(=O)CNC(=O)C1CC[NH+](Cc2ccc(C#N)cc2OC)CC1	ZINC000271051630	999653513	/nfs/dbraw/zinc/65/35/13/999653513.db2.gz	PWVQOZPZKLCTKB-UHFFFAOYSA-N	1	0	359.426	1.458	20	30		FDEDRO
CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1	ZINC000271637328	999719590	/nfs/dbraw/zinc/71/95/90/999719590.db2.gz	SBRQWFPMQAOFOI-UHFFFAOYSA-N	1	0	360.462	1.391	20	30		FDEDRO
C=CCNC(=O)C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1	ZINC000273941723	999734445	/nfs/dbraw/zinc/73/44/45/999734445.db2.gz	DEOZWKDWWFIZQJ-UHFFFAOYSA-N	1	0	358.402	1.285	20	30		FDEDRO
C[C@](O)(CNC(=[NH2+])N1CCN(c2ncccn2)CC1)c1cccc(Cl)c1	ZINC000274044751	999735571	/nfs/dbraw/zinc/73/55/71/999735571.db2.gz	DYDFEBOEIDYTJA-SFHVURJKSA-N	1	0	374.876	1.474	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2cccc(N(C)C)c2)CC1	ZINC000283588624	999757698	/nfs/dbraw/zinc/75/76/98/999757698.db2.gz	RVMLUOLVTNMPLQ-UHFFFAOYSA-N	1	0	358.486	1.526	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)NCC1([NH+](C)C)CCCC1	ZINC000284585016	999853120	/nfs/dbraw/zinc/85/31/20/999853120.db2.gz	WSPNNNZTJNNXJP-UHFFFAOYSA-N	1	0	359.470	1.858	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCO[C@H]3CC[N@@H+](C)C[C@H]32)c1	ZINC000284866922	999875542	/nfs/dbraw/zinc/87/55/42/999875542.db2.gz	PPPGEBIHFYIEKI-UXHICEINSA-N	1	0	370.497	1.955	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)Cc1ccc(C#N)cc1	ZINC000284887754	999878794	/nfs/dbraw/zinc/87/87/94/999878794.db2.gz	FKDLNRCTFSQOCW-HZPDHXFCSA-N	1	0	356.470	1.753	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)CN2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)c1C	ZINC000284918712	999882409	/nfs/dbraw/zinc/88/24/09/999882409.db2.gz	SZXWRBQWTSLNBC-WOJBJXKFSA-N	1	0	370.497	1.955	20	30		FDEDRO
CC1(C)NC(=O)N(CC[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)C1=O	ZINC000285604790	999916670	/nfs/dbraw/zinc/91/66/70/999916670.db2.gz	WWFRDTPKIYROJD-UHFFFAOYSA-N	1	0	374.416	1.871	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc3c(c2)OCCCO3)CC1	ZINC000285920345	999925618	/nfs/dbraw/zinc/92/56/18/999925618.db2.gz	UQUZFGLXSPUVMS-UHFFFAOYSA-N	1	0	373.453	1.231	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)Cc2cccc(OC)c2)CC1	ZINC000286414644	999944365	/nfs/dbraw/zinc/94/43/65/999944365.db2.gz	FLASZLRJFLPSQQ-UHFFFAOYSA-N	1	0	359.470	1.810	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1	ZINC000286954712	999953618	/nfs/dbraw/zinc/95/36/18/999953618.db2.gz	QDPPBBOOHKKZJX-FQEVSTJZSA-N	1	0	356.470	1.596	20	30		FDEDRO
C=CCOc1ccc(CNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cc1	ZINC000287138138	999954949	/nfs/dbraw/zinc/95/49/49/999954949.db2.gz	BCZPFRRULPUZGU-KRWDZBQOSA-N	1	0	360.458	1.390	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)nn1CCC#N	ZINC000288016442	999982755	/nfs/dbraw/zinc/98/27/55/999982755.db2.gz	CEPLNJJYLFDRRL-GJZGRUSLSA-N	1	0	358.446	1.129	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H](CO)C[NH+]1CCCCC1	ZINC000288162942	999992422	/nfs/dbraw/zinc/99/24/22/999992422.db2.gz	CVOBWRZFSGTRFK-KRWDZBQOSA-N	1	0	372.469	1.630	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000288978861	1000065345	/nfs/dbraw/zinc/06/53/45/1000065345.db2.gz	IFKYRYIJBHEPTM-BEFAXECRSA-N	1	0	371.481	1.809	20	30		FDEDRO
Cc1ccccc1C[N@@H+]1CCCN(C(=O)Cn2cncc(C#N)c2=O)CC1	ZINC000289328433	1000090726	/nfs/dbraw/zinc/09/07/26/1000090726.db2.gz	HGZWOMRKEZPXIC-UHFFFAOYSA-N	1	0	365.437	1.158	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@](CO)(Cc3ccc(F)cc3)C2)CC1	ZINC000290714190	1000154457	/nfs/dbraw/zinc/15/44/57/1000154457.db2.gz	RIDBUCLWILYPRG-NRFANRHFSA-N	1	0	358.457	1.924	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCn1cnccc1=O	ZINC000292365026	1000234439	/nfs/dbraw/zinc/23/44/39/1000234439.db2.gz	AEYHOVBPLUOWRN-UHFFFAOYSA-N	1	0	353.426	1.095	20	30		FDEDRO
CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1	ZINC000927633627	1000948067	/nfs/dbraw/zinc/94/80/67/1000948067.db2.gz	PKIRPKQQJGLPFY-RTBURBONSA-N	1	0	372.469	1.486	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]3CCC[NH2+]C3)cc21	ZINC000927793985	1001051924	/nfs/dbraw/zinc/05/19/24/1001051924.db2.gz	KHPXJGLPTAJZDF-UONOGXRCSA-N	1	0	355.442	1.665	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc21	ZINC000927803219	1001063338	/nfs/dbraw/zinc/06/33/38/1001063338.db2.gz	NYQIMRDCCPHTTI-FVQBIDKESA-N	1	0	367.453	1.665	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c(F)c1	ZINC000927843701	1001102157	/nfs/dbraw/zinc/10/21/57/1001102157.db2.gz	ZITVZLPUPCXPPV-LDYMZIIASA-N	1	0	361.270	1.233	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000927844676	1001104664	/nfs/dbraw/zinc/10/46/64/1001104664.db2.gz	XUSBFAXIJQRWSW-CVEARBPZSA-N	1	0	367.490	1.683	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c(Cl)c1	ZINC000927849252	1001115639	/nfs/dbraw/zinc/11/56/39/1001115639.db2.gz	PIQLMYWQFMWXHK-ONGXEEELSA-N	1	0	374.750	1.888	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCNC(C)=O	ZINC001110933562	1001204622	/nfs/dbraw/zinc/20/46/22/1001204622.db2.gz	NFEHFZUOMVBLLS-HPBDAGMYSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)ccc1F	ZINC000928456677	1001532754	/nfs/dbraw/zinc/53/27/54/1001532754.db2.gz	PRRZJJKBJNQCAP-RISCZKNCSA-N	1	0	355.435	1.112	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2c(C)[nH]nc2I)CC1	ZINC000928648242	1001606185	/nfs/dbraw/zinc/60/61/85/1001606185.db2.gz	HLCSGKUENSUJJY-UHFFFAOYSA-N	1	0	372.210	1.150	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cccc(-c3nnc(COC)o3)c2)CC1	ZINC000928653806	1001610540	/nfs/dbraw/zinc/61/05/40/1001610540.db2.gz	BJEPURJKYKHYHF-UHFFFAOYSA-N	1	0	354.410	1.710	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C)CC1	ZINC000928654983	1001611040	/nfs/dbraw/zinc/61/10/40/1001611040.db2.gz	OYYMDICVGVPMRD-CYBMUJFWSA-N	1	0	359.417	1.749	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C[C@@H]2c3ccccc3CCN2C(C)=O)CC1	ZINC000928658368	1001613765	/nfs/dbraw/zinc/61/37/65/1001613765.db2.gz	HOJCTSGJVFLLHJ-HXUWFJFHSA-N	1	0	353.466	1.736	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccc(OCC(=O)OC)c(OCC)c2)CC1	ZINC000928658632	1001613869	/nfs/dbraw/zinc/61/38/69/1001613869.db2.gz	WIRCWLRSPWFFJV-UHFFFAOYSA-N	1	0	374.437	1.465	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C[C@H](NC(C)=O)c2ccc(OC)cc2)CC1	ZINC000928658869	1001614434	/nfs/dbraw/zinc/61/44/34/1001614434.db2.gz	WBMVXNMJWJVRDD-IBGZPJMESA-N	1	0	357.454	1.476	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)CC1	ZINC000928659005	1001614648	/nfs/dbraw/zinc/61/46/48/1001614648.db2.gz	BAIXYFXJSBSITB-SFHVURJKSA-N	1	0	355.438	1.632	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H](F)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000928661456	1001616078	/nfs/dbraw/zinc/61/60/78/1001616078.db2.gz	WXVGOBCNWAGWPZ-GOEBONIOSA-N	1	0	367.465	1.795	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CCCn3cc(C(F)(F)F)nc32)CC1	ZINC000928661463	1001616517	/nfs/dbraw/zinc/61/65/17/1001616517.db2.gz	XASANBKREKPALB-ZDUSSCGKSA-N	1	0	354.376	1.993	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCCN(c3ccc(C#N)nn3)C2)CC[N@@H+]1C	ZINC001110963851	1001798673	/nfs/dbraw/zinc/79/86/73/1001798673.db2.gz	OHXAWEIKYCKXLG-IDHHARJASA-N	1	0	356.474	1.411	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Nc1cc2c(cc1Br)OCCO2	ZINC000929308007	1001920122	/nfs/dbraw/zinc/92/01/22/1001920122.db2.gz	AWKOTKMMKWBRDA-UHFFFAOYSA-N	1	0	368.231	1.907	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCN(S(C)(=O)=O)C1	ZINC001110967067	1001965308	/nfs/dbraw/zinc/96/53/08/1001965308.db2.gz	QUXFZBFQLNINBL-HZMVEIRTSA-N	1	0	369.531	1.346	20	30		FDEDRO
CC(C)NS(=O)(=O)c1ccc(NC(=O)NCC#CC[NH+](C)C)cc1	ZINC000929382791	1001984229	/nfs/dbraw/zinc/98/42/29/1001984229.db2.gz	LAICELFYOPDZMB-UHFFFAOYSA-N	1	0	352.460	1.060	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccccc2C(=O)N2CCOCC2)CC1	ZINC000929498976	1002124214	/nfs/dbraw/zinc/12/42/14/1002124214.db2.gz	IWDUMMRGBBLFKQ-UHFFFAOYSA-N	1	0	370.453	1.378	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2	ZINC000948201366	1002172665	/nfs/dbraw/zinc/17/26/65/1002172665.db2.gz	DQAUWLOFPDRQTP-CZUORRHYSA-N	1	0	355.442	1.091	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CC(=O)N2CCC2)CC1	ZINC000948385342	1002290719	/nfs/dbraw/zinc/29/07/19/1002290719.db2.gz	KXCDORLVIKKFPY-KURKYZTESA-N	1	0	363.502	1.513	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H](C)c1cccc(OCC)c1)C1CC[NH+](C)CC1	ZINC000929649411	1002309237	/nfs/dbraw/zinc/30/92/37/1002309237.db2.gz	NUXVWSFRUIIXKN-INIZCTEOSA-N	1	0	371.481	1.819	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1C#N	ZINC000929696029	1002356471	/nfs/dbraw/zinc/35/64/71/1002356471.db2.gz	UDYMFWRZNDBFOQ-GOEBONIOSA-N	1	0	356.470	1.720	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c3cccnc31)C2	ZINC001111277507	1002476569	/nfs/dbraw/zinc/47/65/69/1002476569.db2.gz	VPWJGDVWXWAXQU-KFZJALRRSA-N	1	0	365.437	1.036	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@@H]([NH+](CC)CC)C1	ZINC000076666084	1002584359	/nfs/dbraw/zinc/58/43/59/1002584359.db2.gz	ZSQWPMUYDBDCHH-OAHLLOKOSA-N	1	0	361.417	1.719	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCc3cccnc32)CC1	ZINC000930008855	1002731892	/nfs/dbraw/zinc/73/18/92/1002731892.db2.gz	ANCLYJOOLNWWTO-QGZVFWFLSA-N	1	0	356.470	1.732	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC(C)(C)OC2(C)C)CC1	ZINC000930010548	1002734059	/nfs/dbraw/zinc/73/40/59/1002734059.db2.gz	QNHUKIJPJUIEOA-HNNXBMFYSA-N	1	0	365.518	1.853	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[NH+]2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1	ZINC000930071074	1002785177	/nfs/dbraw/zinc/78/51/77/1002785177.db2.gz	BCUKSKLCZHYSBG-IBGZPJMESA-N	1	0	368.481	1.411	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccncc1	ZINC000930121337	1002840788	/nfs/dbraw/zinc/84/07/88/1002840788.db2.gz	CMDRLOQJBWJKCP-ZWKOTPCHSA-N	1	0	372.469	1.185	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H](C)c1csc(CC)n1)C1CC[NH+](C)CC1	ZINC000930150904	1002881063	/nfs/dbraw/zinc/88/10/63/1002881063.db2.gz	QEOPUXVWPBSZFR-ZDUSSCGKSA-N	1	0	362.499	1.439	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1)[NH+]1CCCCCC1	ZINC000948983151	1002905385	/nfs/dbraw/zinc/90/53/85/1002905385.db2.gz	WMBTZGNLGLIVPM-RVKKMQEKSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCOC2(CC[NH+]([C@H](C)COC)CC2)C1	ZINC000949095586	1002985265	/nfs/dbraw/zinc/98/52/65/1002985265.db2.gz	QRZKJDDHCDFRKY-KURKYZTESA-N	1	0	366.502	1.696	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[NH+]3CCCC3)C2)cc1	ZINC000949152141	1003041153	/nfs/dbraw/zinc/04/11/53/1003041153.db2.gz	BXJOYLVFQDIVSD-VQIMIIECSA-N	1	0	369.465	1.371	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccccc2N(C)S(C)(=O)=O)CC1	ZINC000930350013	1003044373	/nfs/dbraw/zinc/04/43/73/1003044373.db2.gz	BEMLXFFETODNBR-UHFFFAOYSA-N	1	0	364.471	1.302	20	30		FDEDRO
C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](O)COCCOC)CC1	ZINC001110987842	1003082335	/nfs/dbraw/zinc/08/23/35/1003082335.db2.gz	HVKFZALVSPCPFJ-XDNAFOTISA-N	1	0	366.502	1.478	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C	ZINC000949197222	1003084739	/nfs/dbraw/zinc/08/47/39/1003084739.db2.gz	JCVXSIAVOKXKGI-SOLBZPMBSA-N	1	0	371.481	1.780	20	30		FDEDRO
C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)CNC(=O)C1	ZINC001095806487	1003362689	/nfs/dbraw/zinc/36/26/89/1003362689.db2.gz	GQALLNSKECXCHW-YLAKUSLOSA-N	1	0	352.438	1.306	20	30		FDEDRO
CC#CCN1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)CC2)C1	ZINC000949479628	1003384064	/nfs/dbraw/zinc/38/40/64/1003384064.db2.gz	BQPOYMHUALJVIN-ZWKOTPCHSA-N	1	0	356.470	1.240	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1	ZINC000949487637	1003388528	/nfs/dbraw/zinc/38/85/28/1003388528.db2.gz	IEJHAEJAEYVCJQ-NXHRZFHOSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(CC1)C[N@H+](C[C@@H](C)O)CCO2	ZINC000949490051	1003392064	/nfs/dbraw/zinc/39/20/64/1003392064.db2.gz	ZFESGFSDYFLMIN-SQNIBIBYSA-N	1	0	366.502	1.432	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1	ZINC000949500001	1003407361	/nfs/dbraw/zinc/40/73/61/1003407361.db2.gz	PZQKPXSMNHZOCT-VQHPVUNQSA-N	1	0	361.486	1.027	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C	ZINC000930745011	1003466646	/nfs/dbraw/zinc/46/66/46/1003466646.db2.gz	VLWFBIOFMAMDBR-HNNXBMFYSA-N	1	0	362.499	1.815	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H](C)CCCc1cccnc1)C1CC[NH+](C)CC1	ZINC000930817422	1003541488	/nfs/dbraw/zinc/54/14/88/1003541488.db2.gz	ZVJBBMLWXGFWPA-KRWDZBQOSA-N	1	0	370.497	1.465	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1cnccc1C(C)(C)C)C1CC[NH+](C)CC1	ZINC000930844864	1003573328	/nfs/dbraw/zinc/57/33/28/1003573328.db2.gz	GULFKBQJOSYMLE-UHFFFAOYSA-N	1	0	370.497	1.551	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1C[C@H](C(=O)OC)[C@@H](c2ccc(O)cc2)C1	ZINC000930908354	1003651868	/nfs/dbraw/zinc/65/18/68/1003651868.db2.gz	SHMFYJRPEMMSSE-QGTPRVQTSA-N	1	0	373.453	1.589	20	30		FDEDRO
C=CC[N@H+](C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)[C@@H](C)COC	ZINC000930931808	1003673571	/nfs/dbraw/zinc/67/35/71/1003673571.db2.gz	BRLFYHLYIGAFBM-GJZGRUSLSA-N	1	0	362.536	1.511	20	30		FDEDRO
CC(C)C[N@H+](C)CCCNC(=O)C(=O)N(C)Cc1cc(C#N)cs1	ZINC000930933612	1003677722	/nfs/dbraw/zinc/67/77/22/1003677722.db2.gz	PUZLSZISKBHKJZ-UHFFFAOYSA-N	1	0	350.488	1.672	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc1C#N	ZINC000930948897	1003698673	/nfs/dbraw/zinc/69/86/73/1003698673.db2.gz	KOWHNHPAGAQTDF-OAGGEKHMSA-N	1	0	372.469	1.097	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3c[nH]cc3C)C2)CC1	ZINC000949864746	1003758762	/nfs/dbraw/zinc/75/87/62/1003758762.db2.gz	FVFMDLFMAITWKD-CRAIPNDOSA-N	1	0	356.470	1.245	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3ccoc3C)C2)CC1	ZINC000949864838	1003759105	/nfs/dbraw/zinc/75/91/05/1003759105.db2.gz	LPWDVTALUZMFFX-RDTXWAMCSA-N	1	0	357.454	1.510	20	30		FDEDRO
N#CC[C@@H](O)C[NH+]1CCC(N(C(=O)C(F)(F)F)c2cccnc2)CC1	ZINC000931002228	1003759207	/nfs/dbraw/zinc/75/92/07/1003759207.db2.gz	XSONZDUNOSFNBL-CQSZACIVSA-N	1	0	356.348	1.716	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C[C@@H](C)C3CC3)C[C@H]2C)CC1	ZINC000949914315	1003802014	/nfs/dbraw/zinc/80/20/14/1003802014.db2.gz	HXHJMXJTILRSRE-GPMSIDNRSA-N	1	0	359.514	1.731	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1	ZINC000931081963	1003858597	/nfs/dbraw/zinc/85/85/97/1003858597.db2.gz	PGBGPKWFJUDNDB-DZGCQCFKSA-N	1	0	364.471	1.930	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1	ZINC000931082264	1003858670	/nfs/dbraw/zinc/85/86/70/1003858670.db2.gz	PGBGPKWFJUDNDB-HIFRSBDPSA-N	1	0	364.471	1.930	20	30		FDEDRO
C#CC1(O)CC[NH+]([C@H](C)C(=O)N(C)C[C@@H]2COc3ccccc3O2)CC1	ZINC000931143952	1003921407	/nfs/dbraw/zinc/92/14/07/1003921407.db2.gz	NIMCKXKFMNQVPG-HZPDHXFCSA-N	1	0	358.438	1.133	20	30		FDEDRO
C#CC1(O)CC[NH+]([C@H](C)C(=O)N(C)C[C@H]2COc3ccccc3O2)CC1	ZINC000931143947	1003921595	/nfs/dbraw/zinc/92/15/95/1003921595.db2.gz	NIMCKXKFMNQVPG-CVEARBPZSA-N	1	0	358.438	1.133	20	30		FDEDRO
C#CC1(O)CC[NH+](C[C@@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)CC1	ZINC000931153428	1003927569	/nfs/dbraw/zinc/92/75/69/1003927569.db2.gz	GQXQAQZOCBUVHX-LPHOPBHVSA-N	1	0	364.486	1.863	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1ccc(C(C)(C)C)o1)C1CC[NH+](C)CC1	ZINC000931153819	1003927685	/nfs/dbraw/zinc/92/76/85/1003927685.db2.gz	MLHUNOKLUIITBA-UHFFFAOYSA-N	1	0	359.470	1.749	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCC2(Nc3ccc(C#N)nc3)CCOCC2)CC[N@@H+]1C	ZINC001111005773	1003938235	/nfs/dbraw/zinc/93/82/35/1003938235.db2.gz	MJZXNVUWEJMSAE-RHSMWYFYSA-N	1	0	357.458	1.371	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H](Cc1ccccc1)C(C)C)C1CC[NH+](C)CC1	ZINC000931247283	1003993722	/nfs/dbraw/zinc/99/37/22/1003993722.db2.gz	HQOYISDXCXCFOQ-FQEVSTJZSA-N	1	0	369.509	1.926	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C	ZINC000931283317	1004024809	/nfs/dbraw/zinc/02/48/09/1004024809.db2.gz	TYEDJVYUNPNGRA-DZFIZOCASA-N	1	0	373.501	1.443	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c1	ZINC000931591368	1004295088	/nfs/dbraw/zinc/29/50/88/1004295088.db2.gz	BVTKHKAXJUJJJZ-QGZVFWFLSA-N	1	0	372.444	1.790	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1	ZINC000931591937	1004295204	/nfs/dbraw/zinc/29/52/04/1004295204.db2.gz	IGQFNJRFJVAKRX-MRXNPFEDSA-N	1	0	358.417	1.400	20	30		FDEDRO
C#CCC1(O)CC[NH+](CCOCCN2C(=O)c3ccccc3C2=O)CC1	ZINC000931700938	1004427675	/nfs/dbraw/zinc/42/76/75/1004427675.db2.gz	SURDWBJUXBVBAZ-UHFFFAOYSA-N	1	0	356.422	1.149	20	30		FDEDRO
CN(C(=O)C[N@@H+]1CCC[C@H]([C@@]2(C)COC(=O)N2)C1)C1(C#N)CCCCC1	ZINC000932030141	1004718368	/nfs/dbraw/zinc/71/83/68/1004718368.db2.gz	SCSMAADDWHLKJR-MAUKXSAKSA-N	1	0	362.474	1.882	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1	ZINC000932042683	1004728768	/nfs/dbraw/zinc/72/87/68/1004728768.db2.gz	QQSJFXUFNXUTHO-ZDUSSCGKSA-N	1	0	369.263	1.215	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1C#N	ZINC000932474931	1004978162	/nfs/dbraw/zinc/97/81/62/1004978162.db2.gz	ILSFKSUVRRBTLP-GOSISDBHSA-N	1	0	368.481	1.673	20	30		FDEDRO
COc1ncc(NC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1C#N	ZINC000932512896	1004995803	/nfs/dbraw/zinc/99/58/03/1004995803.db2.gz	AVQGLBPFYANQBD-PBHICJAKSA-N	1	0	372.473	1.452	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CN(C)C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000966883322	1016943820	/nfs/dbraw/zinc/94/38/20/1016943820.db2.gz	LUZOKZUMGMZZTC-HLLBOEOZSA-N	1	0	371.485	1.537	20	30		FDEDRO
COC(=O)[C@@H]1CC[N@H+](C[C@H](O)CC2(C#N)CCC2)[C@@H]([C@@H]2CCCO2)C1	ZINC000933188932	1005512175	/nfs/dbraw/zinc/51/21/75/1005512175.db2.gz	VBUUGVPYQJRBIL-VQHPVUNQSA-N	1	0	350.459	1.864	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)N(C)CCCC[NH+](C)C)c1	ZINC000933214904	1005516885	/nfs/dbraw/zinc/51/68/85/1005516885.db2.gz	SSVLXYRZAIAMIC-UHFFFAOYSA-N	1	0	350.484	1.897	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCC[C@H]1CCC(C)(C)CO1)C1CC[NH+](C)CC1	ZINC000933357860	1005545827	/nfs/dbraw/zinc/54/58/27/1005545827.db2.gz	NEIILIJIRRGTAI-QGZVFWFLSA-N	1	0	363.502	1.254	20	30		FDEDRO
C=CCN1CC[C@H]([NH+]2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)C1=O	ZINC000933554951	1005578974	/nfs/dbraw/zinc/57/89/74/1005578974.db2.gz	UDNBNDVAVXWKLO-KRWDZBQOSA-N	1	0	363.483	1.300	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)CN1CCC2(CC1)CC(=O)C=CO2)c1ccccc1	ZINC000933649338	1005598496	/nfs/dbraw/zinc/59/84/96/1005598496.db2.gz	ZHCYZFDYNSQIGF-LJQANCHMSA-N	1	0	371.481	1.743	20	30		FDEDRO
C=CCn1cc2ccc(NC(=O)N3CN(CC[NH+](C)C)C(=O)[C@@H]3C)cc2n1	ZINC000933676051	1005605799	/nfs/dbraw/zinc/60/57/99/1005605799.db2.gz	OZWLCNMSBSIVQE-AWEZNQCLSA-N	1	0	370.457	1.806	20	30		FDEDRO
C=CC1(CC(=O)NCC2(O)CC[NH+](C)CC2)CN(C(=O)OC(C)(C)C)C1	ZINC000933839206	1005645268	/nfs/dbraw/zinc/64/52/68/1005645268.db2.gz	UPPOXJCZPYPGGM-UHFFFAOYSA-N	1	0	367.490	1.373	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1	ZINC000934179194	1005707440	/nfs/dbraw/zinc/70/74/40/1005707440.db2.gz	ARZNGXGTXDXDQX-CQSZACIVSA-N	1	0	366.462	1.069	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(CN=[S@](C)(=O)N(C)C)CC1	ZINC000934750146	1005791532	/nfs/dbraw/zinc/79/15/32/1005791532.db2.gz	MBTDVLQIYRGTKY-BSEYFRJRSA-N	1	0	357.524	1.033	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COC2CCOCC2)C3)cc1	ZINC001111086620	1005833398	/nfs/dbraw/zinc/83/33/98/1005833398.db2.gz	XZDYPYSYBUVGBH-RLLQIKCJSA-N	1	0	369.465	1.975	20	30		FDEDRO
C[C@@H]1CCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@H](C(N)=O)C1	ZINC000778295322	1005837172	/nfs/dbraw/zinc/83/71/72/1005837172.db2.gz	YTFMSYAQMFRIRL-IFIJOSMWSA-N	1	0	363.421	1.809	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)COC1CC[NH+](C)CC1	ZINC000935403799	1005906317	/nfs/dbraw/zinc/90/63/17/1005906317.db2.gz	JEXRFIBOFOAXNV-UHFFFAOYSA-N	1	0	354.414	1.497	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1nc(C3CC3)no1)C2	ZINC001111115914	1006280455	/nfs/dbraw/zinc/28/04/55/1006280455.db2.gz	OLDJMCVLGPLDJF-OAGGEKHMSA-N	1	0	360.458	1.804	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)nc(C)n1)C2	ZINC001111141281	1006411446	/nfs/dbraw/zinc/41/14/46/1006411446.db2.gz	QETQSUZIKOBJEW-CRNXPOROSA-N	1	0	357.458	1.119	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CCN(c3ccc(C#N)c(C)n3)C2)CC[N@@H+]1C	ZINC001111141574	1006413788	/nfs/dbraw/zinc/41/37/88/1006413788.db2.gz	DKGDWBKFQYMSJV-QKLQHJQFSA-N	1	0	371.485	1.049	20	30		FDEDRO
Cc1ccc(Cl)cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N	ZINC001111162986	1006547902	/nfs/dbraw/zinc/54/79/02/1006547902.db2.gz	VXFJPRGSUDLQJJ-BMFZPTHFSA-N	1	0	360.845	1.623	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1	ZINC000954393627	1006687233	/nfs/dbraw/zinc/68/72/33/1006687233.db2.gz	AWEJOWJLWBXKIA-AYBZRNKSSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(C)CCOC1)C2	ZINC001111183304	1006693980	/nfs/dbraw/zinc/69/39/80/1006693980.db2.gz	YNUROXSKOYWNEJ-PDOICOKGSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1	ZINC000954405238	1006723355	/nfs/dbraw/zinc/72/33/55/1006723355.db2.gz	XZTWYNAGXPBQTR-SQNIBIBYSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)C(C)(C)[NH+]2CCCC2)C1	ZINC000954405100	1006723523	/nfs/dbraw/zinc/72/35/23/1006723523.db2.gz	UYRJBENNNIJQNJ-SJORKVTESA-N	1	0	363.502	1.511	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)CC(C)C)C2	ZINC001111192284	1006774534	/nfs/dbraw/zinc/77/45/34/1006774534.db2.gz	FWOSMJGSPWSVGY-JJXSEGSLSA-N	1	0	364.490	1.402	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(-n3cncn3)n1)C2	ZINC001111199114	1006825904	/nfs/dbraw/zinc/82/59/04/1006825904.db2.gz	FPJXQEQVRLSRNF-OIISXLGYSA-N	1	0	352.442	1.964	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)COC)C2	ZINC001111208572	1006884573	/nfs/dbraw/zinc/88/45/73/1006884573.db2.gz	OPUAFYQTYDQRAB-MLHJIOFPSA-N	1	0	365.518	1.805	20	30		FDEDRO
CC[NH+](CC)[C@@H]1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1	ZINC000247461251	1006928983	/nfs/dbraw/zinc/92/89/83/1006928983.db2.gz	QQNOLCWJTKVFGL-XLIONFOSSA-N	1	0	369.469	1.699	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1csc(Cl)n1)C2	ZINC001111231880	1006990464	/nfs/dbraw/zinc/99/04/64/1006990464.db2.gz	VIOXWBINWDBPDO-WGBDABJCSA-N	1	0	366.874	1.270	20	30		FDEDRO
C#CCOCCC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1	ZINC000092126236	1007055818	/nfs/dbraw/zinc/05/58/18/1007055818.db2.gz	ZZVBSYYIHZZXFO-UHFFFAOYSA-N	1	0	355.482	1.875	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)CC1	ZINC000158840186	1007068686	/nfs/dbraw/zinc/06/86/86/1007068686.db2.gz	VSVSZOHFPXGZPZ-HXUWFJFHSA-N	1	0	367.493	1.682	20	30		FDEDRO
N#Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCCC(N)=O)C3)c(F)c1	ZINC001111260325	1007276161	/nfs/dbraw/zinc/27/61/61/1007276161.db2.gz	PZFBGMKTUKSNEI-NXHRZFHOSA-N	1	0	372.444	1.965	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000957013709	1007528651	/nfs/dbraw/zinc/52/86/51/1007528651.db2.gz	IBBQCIUFUSTTDS-FRQCXROJSA-N	1	0	357.458	1.337	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCC[C@H](n2ccnn2)CC1	ZINC000639826548	1007585440	/nfs/dbraw/zinc/58/54/40/1007585440.db2.gz	SLBPKGXLCCGPBW-INIZCTEOSA-N	1	0	363.421	1.605	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC2(C)CCN(C(=O)c3c[nH]c(C#N)c3)CC2)CC[N@@H+]1C	ZINC000956388980	1008101945	/nfs/dbraw/zinc/10/19/45/1008101945.db2.gz	UZSGQCUOAIXXDQ-DLBZAZTESA-N	1	0	371.485	1.728	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1	ZINC000956500613	1008182893	/nfs/dbraw/zinc/18/28/93/1008182893.db2.gz	GQSAYEGBOPBQNR-IXDOHACOSA-N	1	0	365.518	1.661	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1	ZINC000949952089	1008556882	/nfs/dbraw/zinc/55/68/82/1008556882.db2.gz	ZTSBLTONCPODRD-UWWQBHOKSA-N	1	0	371.485	1.726	20	30		FDEDRO
C=CCn1cc(C(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)nn1	ZINC000648730424	1008564266	/nfs/dbraw/zinc/56/42/66/1008564266.db2.gz	ANPHKMKYQKZCPS-IBGZPJMESA-N	1	0	368.485	1.573	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000646416141	1008747989	/nfs/dbraw/zinc/74/79/89/1008747989.db2.gz	WRLZEFOIGUEQMR-IKGGRYGDSA-N	1	0	353.507	1.661	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)C1([NH+](C)C)CCC1	ZINC000950192828	1008819707	/nfs/dbraw/zinc/81/97/07/1008819707.db2.gz	JZWVGTGZJZDQPF-ULQDDVLXSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCN1C(=O)C[NH+]1CCC(C)CC1	ZINC000950215722	1008863303	/nfs/dbraw/zinc/86/33/03/1008863303.db2.gz	YHKBWKIUHKWKCP-AOIWGVFYSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)CCC)C2	ZINC001111308803	1008900689	/nfs/dbraw/zinc/90/06/89/1008900689.db2.gz	XYNURSPELABSAP-HZMVEIRTSA-N	1	0	350.507	1.131	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1C[NH+](C[C@@H]2CCNC(=O)CC2)C1	ZINC000950353150	1009055165	/nfs/dbraw/zinc/05/51/65/1009055165.db2.gz	IHDJBGWQIBFHSC-JQHSSLGASA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1	ZINC000950382057	1009108646	/nfs/dbraw/zinc/10/86/46/1009108646.db2.gz	CPWGXWNHPJYSRJ-BPQIPLTHSA-N	1	0	370.497	1.593	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000303782552	1009581216	/nfs/dbraw/zinc/58/12/16/1009581216.db2.gz	NJESPUGYVKYHDE-GJZGRUSLSA-N	1	0	369.510	1.011	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cncc(-n3ccnn3)c1)C2	ZINC001095818255	1009905829	/nfs/dbraw/zinc/90/58/29/1009905829.db2.gz	RNCWVAMAQSQVCH-NJAFHUGGSA-N	1	0	352.442	1.964	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@H]3C2)CC1	ZINC000960410650	1010145176	/nfs/dbraw/zinc/14/51/76/1010145176.db2.gz	OJWSFXLNJXZFBH-FGTMMUONSA-N	1	0	361.486	1.123	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C(C)(C)C)C[C@H]2C)CC1	ZINC000950973938	1010174861	/nfs/dbraw/zinc/17/48/61/1010174861.db2.gz	RSVZTBXKEJBZKY-SOLBZPMBSA-N	1	0	361.530	1.977	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000950993861	1010258532	/nfs/dbraw/zinc/25/85/32/1010258532.db2.gz	MRHKOOWTWHATML-HLLBOEOZSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=CCn1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2OCC)nn1	ZINC000648308972	1010417115	/nfs/dbraw/zinc/41/71/15/1010417115.db2.gz	XRYIQBJZEXBIGT-UHFFFAOYSA-N	1	0	370.457	1.867	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](NC(=O)[C@]34C[C@H]3CCC4)C2)CC1	ZINC000951079120	1010428687	/nfs/dbraw/zinc/42/86/87/1010428687.db2.gz	QTAIVOGNFTYMNS-DBXWQHBBSA-N	1	0	357.498	1.629	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C(C)(F)F)C[C@H]2C)CC1	ZINC000959672568	1010540821	/nfs/dbraw/zinc/54/08/21/1010540821.db2.gz	HXRWJZPWZXXXLM-IJEWVQPXSA-N	1	0	369.456	1.586	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(C#N)s1	ZINC000960685273	1010602124	/nfs/dbraw/zinc/60/21/24/1010602124.db2.gz	UHNIYCHWAPQDOI-ZQIUZPCESA-N	1	0	363.483	1.846	20	30		FDEDRO
Cc1cc(N2CCC[C@](CO)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C#N)cn1	ZINC001111373462	1010841409	/nfs/dbraw/zinc/84/14/09/1010841409.db2.gz	JDWPFADQFAFCKD-MDYRTPRTSA-N	1	0	371.485	1.049	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000952067521	1011202925	/nfs/dbraw/zinc/20/29/25/1011202925.db2.gz	YYVRUWPURDLDSS-JQHSSLGASA-N	1	0	368.437	1.646	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2nnnn2CCC)C1	ZINC000962414172	1011243604	/nfs/dbraw/zinc/24/36/04/1011243604.db2.gz	GZJICIRRYZNEKC-NDTCATRNSA-N	1	0	362.478	1.049	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1ccccc1OC)C2	ZINC001111399781	1011625017	/nfs/dbraw/zinc/62/50/17/1011625017.db2.gz	QVUPJCIXRFRVIL-ZACQAIPSSA-N	1	0	360.454	1.998	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3[C@H]2CCCN3C(=O)C#CC2CC2)CC[N@@H+]1C	ZINC000963059643	1011796951	/nfs/dbraw/zinc/79/69/51/1011796951.db2.gz	SZFKSPBCMOSEFU-WJFTUGDTSA-N	1	0	357.498	1.722	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H]2CCc3ncnn32)cc1	ZINC001095854451	1011897467	/nfs/dbraw/zinc/89/74/67/1011897467.db2.gz	FLVUWHGHHHILIH-XWSJACJDSA-N	1	0	361.449	1.782	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CCC([NH2+]Cc2nnnn2C)CC1	ZINC000963338023	1012165701	/nfs/dbraw/zinc/16/57/01/1012165701.db2.gz	NQNBJPHBTCQJRU-FJBKBRRZSA-N	1	0	362.478	1.051	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1	ZINC000953173063	1012303176	/nfs/dbraw/zinc/30/31/76/1012303176.db2.gz	SHBVMXPRDIBMTP-FUHIMQAGSA-N	1	0	361.486	1.124	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CCN(C(=O)[C@@H]4C[C@H]4CC)C3)C2)CC1	ZINC000953180751	1012323165	/nfs/dbraw/zinc/32/31/65/1012323165.db2.gz	FVCCICRKPPEZGW-JUXOCIIHSA-N	1	0	371.525	1.829	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]32)CC[N@@H+]1C	ZINC000963757262	1012646989	/nfs/dbraw/zinc/64/69/89/1012646989.db2.gz	IHWUZVGTAAFTBG-CXHZTBPHSA-N	1	0	369.469	1.290	20	30		FDEDRO
CN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CCC([NH2+]Cc2ccc(C#N)cc2)CC1	ZINC000963913358	1012949189	/nfs/dbraw/zinc/94/91/89/1012949189.db2.gz	WFJOLBGIVIGXMI-HIEASXQVSA-N	1	0	354.454	1.539	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C#CC4CC4)CC[C@@H]3C2)CC[N@@H+]1C	ZINC000967345901	1017405250	/nfs/dbraw/zinc/40/52/50/1017405250.db2.gz	JMEQSECFZFICFK-OQIJWPOYSA-N	1	0	357.498	1.437	20	30		FDEDRO
CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000189829490	177959613	/nfs/dbraw/zinc/95/96/13/177959613.db2.gz	CDZMHBXEGDZPNL-UHFFFAOYSA-N	1	0	368.384	1.898	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1	ZINC000190869668	178029042	/nfs/dbraw/zinc/02/90/42/178029042.db2.gz	KANIXUOLQZVKCJ-HIFRSBDPSA-N	1	0	358.442	1.837	20	30		FDEDRO
CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000191081240	178039411	/nfs/dbraw/zinc/03/94/11/178039411.db2.gz	HUVULQYZHCQWFE-KRWDZBQOSA-N	1	0	363.421	1.550	20	30		FDEDRO
COC(=O)[C@H]1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000192451379	178114745	/nfs/dbraw/zinc/11/47/45/178114745.db2.gz	NESIUYPKTCZYSY-ZWKOTPCHSA-N	1	0	372.469	1.973	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000192749182	178130143	/nfs/dbraw/zinc/13/01/43/178130143.db2.gz	DBHSPDKEGLJIFG-CQSZACIVSA-N	1	0	359.474	1.901	20	30		FDEDRO
CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000193057634	178145132	/nfs/dbraw/zinc/14/51/32/178145132.db2.gz	OJIMIXNHAPYFOC-OAHLLOKOSA-N	1	0	359.474	1.996	20	30		FDEDRO
Cc1ccc(/C=c2/sc(=C(C#N)C#N)n(C3CC[NH+](C)CC3)c2=O)o1	ZINC000194330943	178207281	/nfs/dbraw/zinc/20/72/81/178207281.db2.gz	SBIXTQXRAAPARU-CXUHLZMHSA-N	1	0	354.435	1.105	20	30		FDEDRO
C=CCn1c(CCCC)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1	ZINC000508875728	538937961	/nfs/dbraw/zinc/93/79/61/538937961.db2.gz	VMEHTZMXKJBWGS-UHFFFAOYSA-N	1	0	362.522	1.797	20	30		FDEDRO
C[C@@H]1CN(C[C@H]2CCCN2S(=O)(=O)c2ccc(C#N)nc2)C[C@@H](C)O1	ZINC000245199802	178352416	/nfs/dbraw/zinc/35/24/16/178352416.db2.gz	HYOIBFOGRKYHPO-IIAWOOMASA-N	1	0	364.471	1.216	20	30		FDEDRO
CS(=O)(=O)NCC1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1	ZINC000510186789	538953277	/nfs/dbraw/zinc/95/32/77/538953277.db2.gz	VJJWWRANHZRYBG-UHFFFAOYSA-N	1	0	364.471	1.148	20	30		FDEDRO
COc1cc(CNC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)ccc1C#N	ZINC000519572960	539493442	/nfs/dbraw/zinc/49/34/42/539493442.db2.gz	NVTBLWYQKDEPEQ-KRWDZBQOSA-N	1	0	360.458	1.723	20	30		FDEDRO
C[C@@H](CCNC(=O)C(=O)NCc1ccc(CC#N)cc1)[NH+]1CCCCC1	ZINC000519646962	539495732	/nfs/dbraw/zinc/49/57/32/539495732.db2.gz	PKQIHEUNPYSWGC-INIZCTEOSA-N	1	0	356.470	1.750	20	30		FDEDRO
C=CCCCNC(=O)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1	ZINC000522010479	539531695	/nfs/dbraw/zinc/53/16/95/539531695.db2.gz	CQKZCFTXLXHIAL-UHFFFAOYSA-N	1	0	372.513	1.345	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1	ZINC000264381526	179093277	/nfs/dbraw/zinc/09/32/77/179093277.db2.gz	FIXXBURDANMTJW-MJGOQNOKSA-N	1	0	370.497	1.954	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CC[NH+](CC2CCOCC2)CC1	ZINC000265472775	179385907	/nfs/dbraw/zinc/38/59/07/179385907.db2.gz	YKIKZIVKCBDQLJ-UHFFFAOYSA-N	1	0	373.453	1.516	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(c2cccc(C#N)n2)CC1)[N@@H+]1CCC[C@H](C)C1	ZINC000546882647	542250474	/nfs/dbraw/zinc/25/04/74/542250474.db2.gz	KYZMRXRUNQXYPZ-DLBZAZTESA-N	1	0	370.501	1.905	20	30		FDEDRO
COC(=O)[C@@H](C)CS(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000268356588	180061490	/nfs/dbraw/zinc/06/14/90/180061490.db2.gz	XBMYNTMOYCKGPA-AWEZNQCLSA-N	1	0	367.471	1.061	20	30		FDEDRO
N#Cc1cccc(NC(=O)C2CC[NH+](C[C@@H](O)CC3(O)CCC3)CC2)c1	ZINC000528411725	539756583	/nfs/dbraw/zinc/75/65/83/539756583.db2.gz	ZCSMJKIHBJLDHT-SFHVURJKSA-N	1	0	357.454	1.875	20	30		FDEDRO
CC1(N2CCOCC2)CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1	ZINC000528731562	539781449	/nfs/dbraw/zinc/78/14/49/539781449.db2.gz	YNCUXKUYVIABSC-SFHVURJKSA-N	1	0	359.470	1.485	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)cc1	ZINC000528790338	539786068	/nfs/dbraw/zinc/78/60/68/539786068.db2.gz	WDWOUXSOLMNWLB-CRAIPNDOSA-N	1	0	354.410	1.825	20	30		FDEDRO
C[C@@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)C[NH+]1CCN(C)CC1	ZINC000269689451	180362250	/nfs/dbraw/zinc/36/22/50/180362250.db2.gz	OEPUHYJHQUNCFK-INIZCTEOSA-N	1	0	355.486	1.730	20	30		FDEDRO
CCOC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1C#N	ZINC000269810551	180395703	/nfs/dbraw/zinc/39/57/03/180395703.db2.gz	MXXRHIXEJVPKOS-AWEZNQCLSA-N	1	0	373.413	1.276	20	30		FDEDRO
N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CC[C@@H](C[NH+]3CCCC3)C1)CC2	ZINC000270126409	180453729	/nfs/dbraw/zinc/45/37/29/180453729.db2.gz	ANICPTJJOGENIK-INIZCTEOSA-N	1	0	352.438	1.392	20	30		FDEDRO
CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000529322524	539818535	/nfs/dbraw/zinc/81/85/35/539818535.db2.gz	MFYRBDQZGHYLAM-QZTJIDSGSA-N	1	0	369.469	1.299	20	30		FDEDRO
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)n1	ZINC000271563076	180622077	/nfs/dbraw/zinc/62/20/77/180622077.db2.gz	NHKNERUUVJZJEU-KBPBESRZSA-N	1	0	358.446	1.191	20	30		FDEDRO
COC[C@]1([NH2+]C[C@H]2CNc3c(C#N)cnn3C2)COc2ccccc2C1	ZINC000529667756	539840165	/nfs/dbraw/zinc/84/01/65/539840165.db2.gz	DKGQPWOVGIVHTK-KUHUBIRLSA-N	1	0	353.426	1.406	20	30		FDEDRO
Cc1cc(N2CCC[C@H]([NH2+]C[C@@H](O)COc3ccccc3C#N)C2)n(C)n1	ZINC000530234645	539916670	/nfs/dbraw/zinc/91/66/70/539916670.db2.gz	SETHTKQVUOSUPA-ZWKOTPCHSA-N	1	0	369.469	1.599	20	30		FDEDRO
C[C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000274423382	181089905	/nfs/dbraw/zinc/08/99/05/181089905.db2.gz	DUZFVNXLYQULGL-MRXNPFEDSA-N	1	0	356.470	1.707	20	30		FDEDRO
C[C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000274423377	181090098	/nfs/dbraw/zinc/09/00/98/181090098.db2.gz	DUZFVNXLYQULGL-INIZCTEOSA-N	1	0	356.470	1.707	20	30		FDEDRO
CC[NH+]1CCN(CC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)CC1	ZINC000530814192	540048382	/nfs/dbraw/zinc/04/83/82/540048382.db2.gz	OVGKMVOLFHRAPM-LJQANCHMSA-N	1	0	355.486	1.033	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1	ZINC000275091227	181236033	/nfs/dbraw/zinc/23/60/33/181236033.db2.gz	HWXGVRGYKHAEAS-DGCLKSJQSA-N	1	0	368.359	1.886	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C	ZINC000275269235	181275640	/nfs/dbraw/zinc/27/56/40/181275640.db2.gz	SSOHQTIVVYWYSF-OLZOCXBDSA-N	1	0	360.458	1.122	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000534100729	540323643	/nfs/dbraw/zinc/32/36/43/540323643.db2.gz	NGWKQMPTONEYFI-NSHDSACASA-N	1	0	370.413	1.484	20	30		FDEDRO
N#Cc1ccc(NCC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)nc1	ZINC000536820006	540652847	/nfs/dbraw/zinc/65/28/47/540652847.db2.gz	HOLNEWZLPKVSIZ-UHFFFAOYSA-N	1	0	350.426	1.793	20	30		FDEDRO
CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1(C)C	ZINC000275385189	181305716	/nfs/dbraw/zinc/30/57/16/181305716.db2.gz	AEMFYVCRLKUUOL-HNAYVOBHSA-N	1	0	357.458	1.134	20	30		FDEDRO
N#CC1(NC(=O)[C@H]2CC(=O)N(C3CC3)C2)CC[NH+](Cc2ccccc2)CC1	ZINC000538699785	540881835	/nfs/dbraw/zinc/88/18/35/540881835.db2.gz	OGQSDPCWDNBBHV-KRWDZBQOSA-N	1	0	366.465	1.672	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH+]1CCN(Cc2ccc3c(c2)OCCO3)CC1	ZINC000538910141	540907320	/nfs/dbraw/zinc/90/73/20/540907320.db2.gz	NVVBFHAIBLCRPA-UHFFFAOYSA-N	1	0	372.469	1.338	20	30		FDEDRO
C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1	ZINC000539268639	540941307	/nfs/dbraw/zinc/94/13/07/540941307.db2.gz	SKYTWXDDUZMDRY-QGZVFWFLSA-N	1	0	359.470	1.564	20	30		FDEDRO
C=CC[C@@H](CO)C[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000539294959	540943672	/nfs/dbraw/zinc/94/36/72/540943672.db2.gz	NGFQOUQFRGURCY-MRXNPFEDSA-N	1	0	352.500	1.922	20	30		FDEDRO
CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NC[C@H](C)C#N	ZINC000540311956	541044955	/nfs/dbraw/zinc/04/49/55/541044955.db2.gz	UVUKXHBWLCRNHR-CQSZACIVSA-N	1	0	373.457	1.051	20	30		FDEDRO
C=CC[C@@H](CO)C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000540396122	541053891	/nfs/dbraw/zinc/05/38/91/541053891.db2.gz	BABWGOUZGKWGSZ-JKSUJKDBSA-N	1	0	368.499	1.543	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](CO)C2CCCCC2)CC1	ZINC000541056124	541143733	/nfs/dbraw/zinc/14/37/33/541143733.db2.gz	YHRAEDYATSITIA-ROUUACIJSA-N	1	0	350.507	1.210	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087198879	781951307	/nfs/dbraw/zinc/95/13/07/781951307.db2.gz	GUQRQZGFLSDYOD-FHLIZLRMSA-N	1	0	369.469	1.299	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1	ZINC000543603935	541619702	/nfs/dbraw/zinc/61/97/02/541619702.db2.gz	ZMRDQVKTHOJRIM-MRXNPFEDSA-N	1	0	352.504	1.478	20	30		FDEDRO
CN(CCC(=O)N1CCN(c2ncccc2C#N)CC1)c1cc[nH+]cc1	ZINC000543715607	541644758	/nfs/dbraw/zinc/64/47/58/541644758.db2.gz	UUIVNUPLJGKEEG-UHFFFAOYSA-N	1	0	350.426	1.523	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1	ZINC000543822045	541667468	/nfs/dbraw/zinc/66/74/68/541667468.db2.gz	ZDTLPWFMIXDRSI-UHFFFAOYSA-N	1	0	354.313	1.914	20	30		FDEDRO
CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000276344762	181570176	/nfs/dbraw/zinc/57/01/76/181570176.db2.gz	QOMDOYVGFUOCTA-UHFFFAOYSA-N	1	0	354.454	1.782	20	30		FDEDRO
N#Cc1ccc(CNC(=O)CN2CCC[C@H](C[NH+]3CCOCC3)C2)cc1	ZINC000282611097	182031572	/nfs/dbraw/zinc/03/15/72/182031572.db2.gz	YVGCPKZIDQJBAY-LJQANCHMSA-N	1	0	356.470	1.219	20	30		FDEDRO
Cc1cc(C#N)nc(NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)n1	ZINC000283705555	182255156	/nfs/dbraw/zinc/25/51/56/182255156.db2.gz	DBXNMARHCOVIHX-QGZVFWFLSA-N	1	0	364.453	1.966	20	30		FDEDRO
CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(C#N)cc2OC)CC1	ZINC000545294564	541927237	/nfs/dbraw/zinc/92/72/37/541927237.db2.gz	CLZNUXQUGXRTEP-UHFFFAOYSA-N	1	0	358.442	1.744	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(C(=O)NCc2ccc(C#N)cc2)CC1	ZINC000286597489	183106226	/nfs/dbraw/zinc/10/62/26/183106226.db2.gz	SMYKNNYSRZLZJD-UHFFFAOYSA-N	1	0	374.485	1.827	20	30		FDEDRO
Cc1ccc(NC(=O)C(=O)NC[C@@H](C)C#N)cc1NC(=O)CC[NH+](C)C	ZINC000546646180	542189614	/nfs/dbraw/zinc/18/96/14/542189614.db2.gz	DCQONFIQYPFFQS-LBPRGKRZSA-N	1	0	359.430	1.100	20	30		FDEDRO
COc1ccc(C[NH+](C)C)cc1NC(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000546742172	542215257	/nfs/dbraw/zinc/21/52/57/542215257.db2.gz	RWXOCLSUQCURQM-UHFFFAOYSA-N	1	0	366.421	1.997	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]1CCSC1	ZINC000288092194	183392389	/nfs/dbraw/zinc/39/23/89/183392389.db2.gz	ADMSJVYEKCKBGD-KRWDZBQOSA-N	1	0	374.510	1.318	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000546777678	542224069	/nfs/dbraw/zinc/22/40/69/542224069.db2.gz	SGCGKHZUQQGDRB-SJORKVTESA-N	1	0	368.547	1.358	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC[N@@H+](C2CC2)C1	ZINC000295985723	184120211	/nfs/dbraw/zinc/12/02/11/184120211.db2.gz	IGBPTOIBMZZGAK-CYBMUJFWSA-N	1	0	372.473	1.391	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1	ZINC000297805179	184332150	/nfs/dbraw/zinc/33/21/50/184332150.db2.gz	MHRTYTUGXIZDSI-IBGZPJMESA-N	1	0	368.481	1.994	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1	ZINC000297847264	184341582	/nfs/dbraw/zinc/34/15/82/184341582.db2.gz	MGVBPWGEZRDNDK-GOSISDBHSA-N	1	0	354.454	1.603	20	30		FDEDRO
C[C@@H](C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)[NH+]1[C@H](C)CC[C@H]1C	ZINC000298057758	184383790	/nfs/dbraw/zinc/38/37/90/184383790.db2.gz	HOXSFSWZCJROLN-FPCVCCKLSA-N	1	0	356.474	1.647	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N[C@H](C)CCN1CC[NH+](C)CC1	ZINC000185328678	177685208	/nfs/dbraw/zinc/68/52/08/177685208.db2.gz	LQKNEWAQSUELFR-OAHLLOKOSA-N	1	0	350.488	1.171	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[NH+](CC2CCOCC2)CC1	ZINC000172427320	258276298	/nfs/dbraw/zinc/27/62/98/258276298.db2.gz	QXPPGSODEMRPJD-INIZCTEOSA-N	1	0	356.470	1.929	20	30		FDEDRO
N#Cc1ccc(C(=O)NCCCC[NH+]2CCN(CCO)CC2)cc1Cl	ZINC000548312209	542620978	/nfs/dbraw/zinc/62/09/78/542620978.db2.gz	RWSRXYYPNWTBDV-UHFFFAOYSA-N	1	0	364.877	1.332	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000173209995	258293329	/nfs/dbraw/zinc/29/33/29/258293329.db2.gz	XFOWBGBJDUNOQO-MRXNPFEDSA-N	1	0	368.437	1.757	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]CCCOC[C@@H]2CCCO2)c1	ZINC000548908319	542803458	/nfs/dbraw/zinc/80/34/58/542803458.db2.gz	QZODXMVYPPQBCL-INIZCTEOSA-N	1	0	352.456	1.507	20	30		FDEDRO
C[C@H]1CN(C(=O)NCC#Cc2cccc(F)c2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000549590042	542902920	/nfs/dbraw/zinc/90/29/20/542902920.db2.gz	DGXQZDIAICUWIB-FXAWDEMLSA-N	1	0	372.488	1.845	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc1	ZINC000173290112	258295704	/nfs/dbraw/zinc/29/57/04/258295704.db2.gz	DRDFDIXXJBJFCI-UHFFFAOYSA-N	1	0	370.453	1.600	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccccc2COC(C)C)CC1	ZINC000550770622	543168957	/nfs/dbraw/zinc/16/89/57/543168957.db2.gz	JMCAVQWNLBDCLN-UHFFFAOYSA-N	1	0	373.497	1.994	20	30		FDEDRO
C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)C[C@@H](C)C1	ZINC000551372348	543275948	/nfs/dbraw/zinc/27/59/48/543275948.db2.gz	NLCPRRNGVLLXQG-OGHNNQOOSA-N	1	0	358.417	1.825	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C	ZINC000552310708	543449706	/nfs/dbraw/zinc/44/97/06/543449706.db2.gz	GYAZYHRQDPBBKG-YOEHRIQHSA-N	1	0	360.458	1.144	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1	ZINC000552471218	543472831	/nfs/dbraw/zinc/47/28/31/543472831.db2.gz	LJCZFKKIWQZPMZ-INIZCTEOSA-N	1	0	357.454	1.563	20	30		FDEDRO
CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1	ZINC000553094828	543567735	/nfs/dbraw/zinc/56/77/35/543567735.db2.gz	SGKUPVGRZBUATK-INIZCTEOSA-N	1	0	371.485	1.053	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2C(=O)N2CCSCC2)cc1	ZINC000067117894	172006130	/nfs/dbraw/zinc/00/61/30/172006130.db2.gz	QVGFCRUNPXYYGJ-KRWDZBQOSA-N	1	0	372.494	1.927	20	30		FDEDRO
CC[NH+](CC)CCSCC(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000073023828	172056490	/nfs/dbraw/zinc/05/64/90/172056490.db2.gz	CJDBQXFISVEIIK-UHFFFAOYSA-N	1	0	361.515	1.677	20	30		FDEDRO
N#Cc1ccccc1OCC(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1	ZINC000089962315	172254711	/nfs/dbraw/zinc/25/47/11/172254711.db2.gz	AKIPUZDIBPITEW-MOPGFXCFSA-N	1	0	365.433	1.689	20	30		FDEDRO
CCCC[NH+]1CCC(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1	ZINC000091238957	172280726	/nfs/dbraw/zinc/28/07/26/172280726.db2.gz	FEPHSFGYSWDSHW-UHFFFAOYSA-N	1	0	374.489	1.829	20	30		FDEDRO
Cc1oc(NC(=O)CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c(C#N)c1C	ZINC000104067555	172374063	/nfs/dbraw/zinc/37/40/63/172374063.db2.gz	AXUGJJIRPODPCU-MRXNPFEDSA-N	1	0	373.457	1.121	20	30		FDEDRO
CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000123170472	172925736	/nfs/dbraw/zinc/92/57/36/172925736.db2.gz	UKTFOGLRGOVADB-CVEARBPZSA-N	1	0	373.505	1.545	20	30		FDEDRO
CN1C[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCC1=O	ZINC000128619882	173114945	/nfs/dbraw/zinc/11/49/45/173114945.db2.gz	GBWWFALRPDXKAR-GOSISDBHSA-N	1	0	369.469	1.396	20	30		FDEDRO
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000131539509	173205841	/nfs/dbraw/zinc/20/58/41/173205841.db2.gz	GNZUXSVRJNZYPA-QZTJIDSGSA-N	1	0	370.453	1.186	20	30		FDEDRO
C[NH+](C)CCn1ccc(NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)n1	ZINC000133165868	173256732	/nfs/dbraw/zinc/25/67/32/173256732.db2.gz	KSBQGJJSVLZGMW-UHFFFAOYSA-N	1	0	354.414	1.611	20	30		FDEDRO
COc1ncncc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000135802292	173353368	/nfs/dbraw/zinc/35/33/68/173353368.db2.gz	YGNLAWUIMDOARZ-UHFFFAOYSA-N	1	0	354.414	1.953	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000136846839	173365686	/nfs/dbraw/zinc/36/56/86/173365686.db2.gz	AOCJXNWZMGHEGF-WBVHZDCISA-N	1	0	357.454	1.943	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000136846929	173365729	/nfs/dbraw/zinc/36/57/29/173365729.db2.gz	AOCJXNWZMGHEGF-NVXWUHKLSA-N	1	0	357.454	1.943	20	30		FDEDRO
COCCNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(C#N)s2)c1	ZINC000176971963	174097530	/nfs/dbraw/zinc/09/75/30/174097530.db2.gz	AYUALVTYYJOXMR-UHFFFAOYSA-N	1	0	365.480	1.834	20	30		FDEDRO
CN1CCN(C(=O)CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1	ZINC000181686536	174240794	/nfs/dbraw/zinc/24/07/94/174240794.db2.gz	IBZTWBLPFRMSMA-UHFFFAOYSA-N	1	0	369.513	1.276	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(O)(COC)CC1)C(C)C	ZINC000270302590	674192060	/nfs/dbraw/zinc/19/20/60/674192060.db2.gz	AWMGCUBKPDYGSV-KRWDZBQOSA-N	1	0	353.507	1.868	20	30		FDEDRO
CC[C@@H](CO)[NH+]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC000180214865	258364488	/nfs/dbraw/zinc/36/44/88/258364488.db2.gz	SQIYMVHSLHADCC-IBGZPJMESA-N	1	0	353.470	1.847	20	30		FDEDRO
Cn1cc(C[NH2+]CCOCCS(C)(=O)=O)c(-c2ccc(C#N)cc2)n1	ZINC000180248141	258365132	/nfs/dbraw/zinc/36/51/32/258365132.db2.gz	XKSWCVFPTJIRQW-UHFFFAOYSA-N	1	0	362.455	1.110	20	30		FDEDRO
C[NH+](C)CCN1C[C@@H](C(=O)NCCSCc2ccccc2C#N)CC1=O	ZINC000173680067	258307639	/nfs/dbraw/zinc/30/76/39/258307639.db2.gz	ZPNXDGWEQMBRBD-KRWDZBQOSA-N	1	0	374.510	1.318	20	30		FDEDRO
CC[NH+](CC)[C@@H]1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1	ZINC000174118388	258319003	/nfs/dbraw/zinc/31/90/03/258319003.db2.gz	LMITWZOLOIXQCL-QGZVFWFLSA-N	1	0	363.483	1.416	20	30		FDEDRO
N#Cc1ccc(-c2nnc(CN3CC[NH+](C[C@H]4CCOC4)CC3)o2)cc1	ZINC000178491423	258329002	/nfs/dbraw/zinc/32/90/02/258329002.db2.gz	CLYXVTKQXLKXSK-MRXNPFEDSA-N	1	0	353.426	1.762	20	30		FDEDRO
N#Cc1ccccc1N1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1	ZINC000179315387	258348507	/nfs/dbraw/zinc/34/85/07/258348507.db2.gz	KMYMIHBAPMHAHF-UHFFFAOYSA-N	1	0	367.409	1.840	20	30		FDEDRO
CC1(C)COCCN1CCNC(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000184597823	258382283	/nfs/dbraw/zinc/38/22/83/258382283.db2.gz	NWAIJGGRBGXYAT-UHFFFAOYSA-N	1	0	369.429	1.371	20	30		FDEDRO
Cn1ncc2c1C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)CC2	ZINC000280907800	258629672	/nfs/dbraw/zinc/62/96/72/258629672.db2.gz	CAKFYSDPRLNTPW-GOSISDBHSA-N	1	0	365.481	1.987	20	30		FDEDRO
CCN1CCOC[C@@H]1C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000553205447	543587084	/nfs/dbraw/zinc/58/70/84/543587084.db2.gz	IYFAULWDRIOFOI-QGZVFWFLSA-N	1	0	361.417	1.788	20	30		FDEDRO
C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCC(=O)NCC#N)C1	ZINC000553807492	543699988	/nfs/dbraw/zinc/69/99/88/543699988.db2.gz	NITNMZADDIMPCL-HNNXBMFYSA-N	1	0	357.458	1.357	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2SCC)CC1	ZINC000553669539	543678185	/nfs/dbraw/zinc/67/81/85/543678185.db2.gz	GKOYHCJJYYRFJK-CVEARBPZSA-N	1	0	353.532	1.934	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C	ZINC000554297766	543778228	/nfs/dbraw/zinc/77/82/28/543778228.db2.gz	RYGKVXHTHBEZJC-OAHLLOKOSA-N	1	0	361.486	1.960	20	30		FDEDRO
C[C@@H]1OCC[C@@]1(O)C[N@H+](CC(=O)NC1(C#N)CCC1)Cc1ccccc1	ZINC000554251990	543769368	/nfs/dbraw/zinc/76/93/68/543769368.db2.gz	XOWHZJYJLCHROL-OXJNMPFZSA-N	1	0	357.454	1.591	20	30		FDEDRO
C[N@@H+]1CC[C@](O)(CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1	ZINC000555680494	544004341	/nfs/dbraw/zinc/00/43/41/544004341.db2.gz	RSIUEHIMLXCNSU-IBGZPJMESA-N	1	0	353.426	1.260	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000555893285	544048579	/nfs/dbraw/zinc/04/85/79/544048579.db2.gz	BPWHSIQVJAOTOY-IAGOWNOFSA-N	1	0	351.491	1.912	20	30		FDEDRO
C=C(C)COc1cc(C[NH2+]CC2(O)CCS(=O)(=O)CC2)ccc1OC	ZINC000556405467	544140747	/nfs/dbraw/zinc/14/07/47/544140747.db2.gz	AIOHDTWUUCPMMK-UHFFFAOYSA-N	1	0	369.483	1.679	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1	ZINC000556688389	544176160	/nfs/dbraw/zinc/17/61/60/544176160.db2.gz	UPZDIXLGHISSTQ-JWTNVVGKSA-N	1	0	353.470	1.645	20	30		FDEDRO
CN1CC[NH2+]C[C@H]1CNC(=O)NCc1ccc(-c2ccccc2C#N)cc1	ZINC000557189311	544259735	/nfs/dbraw/zinc/25/97/35/544259735.db2.gz	GHNCRGARICWBIG-IBGZPJMESA-N	1	0	363.465	1.928	20	30		FDEDRO
C[N@H+](CCNS(=O)(=O)c1cccc(Br)c1C#N)C1CC1	ZINC000557804612	544349147	/nfs/dbraw/zinc/34/91/47/544349147.db2.gz	XDBQJSLMERVVCR-UHFFFAOYSA-N	1	0	358.261	1.693	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1	ZINC000558480603	544445439	/nfs/dbraw/zinc/44/54/39/544445439.db2.gz	LOVPOFCOWRKJOU-GOSISDBHSA-N	1	0	364.515	1.969	20	30		FDEDRO
C=CC[C@@H]1N(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CCCC1(C)C	ZINC000559834176	544814869	/nfs/dbraw/zinc/81/48/69/544814869.db2.gz	DQEULSVEMZGKTI-KRWDZBQOSA-N	1	0	365.518	1.808	20	30		FDEDRO
CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N(C)CC(C)(C)C#N)CC1	ZINC000560297614	544941373	/nfs/dbraw/zinc/94/13/73/544941373.db2.gz	FEPHJDQWOGWPND-UHFFFAOYSA-N	1	0	360.462	1.487	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000293480802	258879307	/nfs/dbraw/zinc/87/93/07/258879307.db2.gz	SIKQESZKBVASML-LBPRGKRZSA-N	1	0	365.231	1.470	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000299478076	259000493	/nfs/dbraw/zinc/00/04/93/259000493.db2.gz	CBOXKWWGLIIYHE-CQSZACIVSA-N	1	0	355.398	1.549	20	30		FDEDRO
Cc1ccc(-n2nc(CCCNC(=O)[C@@H]3CCC[N@H+]3C)c(C#N)c2N)cc1	ZINC000299571288	259007620	/nfs/dbraw/zinc/00/76/20/259007620.db2.gz	UFUGQYMXASTQMS-SFHVURJKSA-N	1	0	366.469	1.778	20	30		FDEDRO
CC(C)OCC[NH+]1CCC(Nc2ccc(S(N)(=O)=O)cc2C#N)CC1	ZINC000301452112	259028137	/nfs/dbraw/zinc/02/81/37/259028137.db2.gz	AKHIXKFZFBCHCP-UHFFFAOYSA-N	1	0	366.487	1.507	20	30		FDEDRO
N#Cc1c(N)n(-c2ccccc2)nc1CCCNc1cc[nH+]cc1C(N)=O	ZINC000302719616	259045011	/nfs/dbraw/zinc/04/50/11/259045011.db2.gz	HAYRSUKXCVWSKA-UHFFFAOYSA-N	1	0	361.409	1.865	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@@H]3[C@H]3COCC[C@H]3O)C2=O)cc1	ZINC000328774666	259057731	/nfs/dbraw/zinc/05/77/31/259057731.db2.gz	HRNHHSFXGVAHPT-AKHDSKFASA-N	1	0	355.438	1.525	20	30		FDEDRO
C[N@H+](CCO)C1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1	ZINC000330767564	259161586	/nfs/dbraw/zinc/16/15/86/259161586.db2.gz	WXIKUQAAWTUIBX-UHFFFAOYSA-N	1	0	357.863	1.289	20	30		FDEDRO
CC(C)[C@H](CNS(=O)(=O)c1ccc(C#N)s1)N1CC[NH+](C)CC1	ZINC000331232714	259182071	/nfs/dbraw/zinc/18/20/71/259182071.db2.gz	JBENHLQBXGGDES-AWEZNQCLSA-N	1	0	356.517	1.170	20	30		FDEDRO
Cc1cc(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c(C#N)cc1N(C)C	ZINC000331248293	259183298	/nfs/dbraw/zinc/18/32/98/259183298.db2.gz	WWCVMGGRHACSPZ-CABCVRRESA-N	1	0	359.474	1.852	20	30		FDEDRO
CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(S(=O)(=O)c2cnc(C)c(C#N)c2)C1	ZINC000331418299	259194316	/nfs/dbraw/zinc/19/43/16/259194316.db2.gz	KPULYKBWKHWHOG-HOTGVXAUSA-N	1	0	364.471	1.136	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CCSC1	ZINC000331859350	259225071	/nfs/dbraw/zinc/22/50/71/259225071.db2.gz	YEOVXROTZQGXLD-GOSISDBHSA-N	1	0	358.511	1.640	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1	ZINC000333526123	259356188	/nfs/dbraw/zinc/35/61/88/259356188.db2.gz	OZBMAQUAKIGPCT-RDJZCZTQSA-N	1	0	370.453	1.138	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@@H]3CCCC[NH2+]C3)C2=O)cc1	ZINC000333536885	259357818	/nfs/dbraw/zinc/35/78/18/259357818.db2.gz	ISINEYIQKIIADH-NVXWUHKLSA-N	1	0	355.442	1.495	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N2CCC(n3ncc4c3C[NH2+]C4)CC2)c1C#N	ZINC000333578303	259360648	/nfs/dbraw/zinc/36/06/48/259360648.db2.gz	NLZSHHNHNNHNEV-UHFFFAOYSA-N	1	0	371.466	1.692	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)C2=O)cc1	ZINC000333667499	259368169	/nfs/dbraw/zinc/36/81/69/259368169.db2.gz	XUDAKTSIZQIKCI-KURKYZTESA-N	1	0	367.453	1.053	20	30		FDEDRO
N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1	ZINC000365048426	259807439	/nfs/dbraw/zinc/80/74/39/259807439.db2.gz	YNLRTNVCQFQSJG-PKOBYXMFSA-N	1	0	366.465	1.650	20	30		FDEDRO
CN(CC1([NH+](C)C)CCC1)C(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000365054112	259808044	/nfs/dbraw/zinc/80/80/44/259808044.db2.gz	RKHONNXCIJUPBE-GOSISDBHSA-N	1	0	368.481	1.992	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCC(=O)N[C@@H]3C3CC3)C2=O)cc1	ZINC000367375096	260031850	/nfs/dbraw/zinc/03/18/50/260031850.db2.gz	PLDSZBDUWNDODA-ZIFCJYIRSA-N	1	0	352.438	1.700	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)C[C@@H]21	ZINC000367587179	260064838	/nfs/dbraw/zinc/06/48/38/260064838.db2.gz	ZXCUDKXOUCBFPK-RISCZKNCSA-N	1	0	350.400	1.181	20	30		FDEDRO
C[NH+]1CCN(C[C@@H]2CCCN(S(=O)(=O)c3ccc(C#N)cc3)C2)CC1	ZINC000367686098	260077614	/nfs/dbraw/zinc/07/76/14/260077614.db2.gz	SLOYEHMTTJUFEK-KRWDZBQOSA-N	1	0	362.499	1.206	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)c(F)c1	ZINC000367713157	260080596	/nfs/dbraw/zinc/08/05/96/260080596.db2.gz	QLAPNPOOJKABQL-ULQDDVLXSA-N	1	0	372.444	1.503	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@@]3(C)CCO[C@H]3C3CC3)CC2)o1	ZINC000368197334	260148356	/nfs/dbraw/zinc/14/83/56/260148356.db2.gz	DEYATEYEIIMIBA-HKUYNNGSSA-N	1	0	373.457	1.051	20	30		FDEDRO
CC(C)N1CCO[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000368455501	260185569	/nfs/dbraw/zinc/18/55/69/260185569.db2.gz	QLOZSMZCCZLPFX-IBGZPJMESA-N	1	0	358.486	1.558	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)NC2CC[NH+](Cc3ccsc3)CC2)n1	ZINC000368619953	260210849	/nfs/dbraw/zinc/21/08/49/260210849.db2.gz	URNNLKBOMCDFEO-UHFFFAOYSA-N	1	0	359.459	1.175	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)cc1	ZINC000368712512	260226307	/nfs/dbraw/zinc/22/63/07/260226307.db2.gz	OGIYBDCZPGPYOI-OAQYLSRUSA-N	1	0	360.417	1.770	20	30		FDEDRO
COc1cc(C#N)ccc1CN1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1	ZINC000369018920	260277515	/nfs/dbraw/zinc/27/75/15/260277515.db2.gz	NCJGYWRXIVIUHQ-KRWDZBQOSA-N	1	0	363.483	1.308	20	30		FDEDRO
CN(C)c1ncnc2c1CN(C[C@H](O)COc1ccc(C#N)cc1)CC2	ZINC000369225616	260316439	/nfs/dbraw/zinc/31/64/39/260316439.db2.gz	JWAVBIHJEONZMF-HNNXBMFYSA-N	1	0	353.426	1.212	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC(O)(C[NH+]2CCOCC2)CC1	ZINC000369271449	260328291	/nfs/dbraw/zinc/32/82/91/260328291.db2.gz	QWJCMRCERFKSBT-INIZCTEOSA-N	1	0	372.469	1.044	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)c1	ZINC000373118641	260984704	/nfs/dbraw/zinc/98/47/04/260984704.db2.gz	UFHVDKWGEFBXPU-OALUTQOASA-N	1	0	356.470	1.407	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CCCN(Cc3ccnc(C)n3)C2=O)cc1C#N	ZINC000373370045	261004749	/nfs/dbraw/zinc/00/47/49/261004749.db2.gz	OKEDYDVNNHPHAY-GOSISDBHSA-N	1	0	365.437	1.946	20	30		FDEDRO
CCCC[NH+]1CCC(NC(=O)N2CCC(n3cnc(C#N)n3)CC2)CC1	ZINC000373843429	261046292	/nfs/dbraw/zinc/04/62/92/261046292.db2.gz	VIHICEAVAOZRHF-UHFFFAOYSA-N	1	0	359.478	1.761	20	30		FDEDRO
CN1CC[C@@H](CNS(=O)(=O)c2ccc(C#N)s2)[C@@H]1c1cccnc1	ZINC000375630138	261385902	/nfs/dbraw/zinc/38/59/02/261385902.db2.gz	SJRMFPLXOPYSEV-BBRMVZONSA-N	1	0	362.480	1.986	20	30		FDEDRO
N#Cc1cccc(-c2c[nH]c(CNS(=O)(=O)CC[NH+]3CCCC3)n2)c1	ZINC000375656439	261391478	/nfs/dbraw/zinc/39/14/78/261391478.db2.gz	IDSPXUQPPRDNAA-UHFFFAOYSA-N	1	0	359.455	1.464	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1	ZINC000377895632	261906568	/nfs/dbraw/zinc/90/65/68/261906568.db2.gz	JKSQZRGNVMSNDU-ZWKOTPCHSA-N	1	0	358.442	1.178	20	30		FDEDRO
C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)n1cnc(C#N)n1	ZINC000409843198	262142267	/nfs/dbraw/zinc/14/22/67/262142267.db2.gz	NEHKUGVKZHCCEP-ZDUSSCGKSA-N	1	0	360.849	1.955	20	30		FDEDRO
CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H](C)n1cnc(C#N)n1	ZINC000409930534	262146309	/nfs/dbraw/zinc/14/63/09/262146309.db2.gz	HMWWCGPPUFQGCY-NVXWUHKLSA-N	1	0	354.458	1.984	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2cc(Cl)cn2C)CC1	ZINC000286345496	675894144	/nfs/dbraw/zinc/89/41/44/675894144.db2.gz	BFLSPMUQPFLCBO-UHFFFAOYSA-N	1	0	352.866	1.404	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3c(c2)OCC(=O)N3)c1C#N	ZINC000535504845	490495843	/nfs/dbraw/zinc/49/58/43/490495843.db2.gz	YMSGZZRUMFKIMV-UHFFFAOYSA-N	1	0	354.370	1.017	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)nn1CCC#N	ZINC000504558163	490804765	/nfs/dbraw/zinc/80/47/65/490804765.db2.gz	BAVYTAFSZOROKH-UKRRQHHQSA-N	1	0	360.462	1.423	20	30		FDEDRO
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NC[C@@H]2COCC[NH2+]2)n1	ZINC000528688196	490820042	/nfs/dbraw/zinc/82/00/42/490820042.db2.gz	QLGOJKALRMOWLP-CYBMUJFWSA-N	1	0	360.805	1.507	20	30		FDEDRO
CN(C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@H]1CCC[C@@H]1C#N	ZINC000602065984	491959283	/nfs/dbraw/zinc/95/92/83/491959283.db2.gz	FQOFEUMSVGQOLM-HIFRSBDPSA-N	1	0	358.446	1.239	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(C(=O)Nc3nn(C)cc3C#N)CC2)CC1	ZINC000610923033	492269912	/nfs/dbraw/zinc/26/99/12/492269912.db2.gz	KLYGXPKDLMKHQN-UHFFFAOYSA-N	1	0	359.478	1.314	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)c1C#N	ZINC000611166551	492280350	/nfs/dbraw/zinc/28/03/50/492280350.db2.gz	GJXHHKFUZPHQAE-CQSZACIVSA-N	1	0	360.462	1.409	20	30		FDEDRO
C=CC[N@H+](CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1	ZINC000271467405	674345454	/nfs/dbraw/zinc/34/54/54/674345454.db2.gz	QPXYBXPGFINLJF-UHFFFAOYSA-N	1	0	366.483	1.737	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000024825411	519017963	/nfs/dbraw/zinc/01/79/63/519017963.db2.gz	RRIWFLTUPWRIDG-MRXNPFEDSA-N	1	0	369.469	1.466	20	30		FDEDRO
Cn1c(NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c(C#N)c(=O)n(C)c1=O	ZINC000026725720	519133942	/nfs/dbraw/zinc/13/39/42/519133942.db2.gz	QTFFWROOVKXZLV-UHFFFAOYSA-N	1	0	367.453	1.204	20	30		FDEDRO
C=CCn1c(C)nnc1SCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1	ZINC000029616931	519305056	/nfs/dbraw/zinc/30/50/56/519305056.db2.gz	RWLZRGQLANGFQX-OAHLLOKOSA-N	1	0	367.519	1.338	20	30		FDEDRO
CC[NH+]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)CC1	ZINC000032757875	519534655	/nfs/dbraw/zinc/53/46/55/519534655.db2.gz	PFKYZXGPRGHPBQ-UHFFFAOYSA-N	1	0	361.490	1.589	20	30		FDEDRO
CCN1CC[NH+](CCCCNC(=O)C(=O)Nc2ccc(C#N)cc2)CC1	ZINC000041789842	519667404	/nfs/dbraw/zinc/66/74/04/519667404.db2.gz	QEOALISTODNFKX-UHFFFAOYSA-N	1	0	357.458	1.031	20	30		FDEDRO
CCN1CC[NH+](CCCCNC(=O)C(=O)Nc2cccc(C#N)c2)CC1	ZINC000041789936	519667565	/nfs/dbraw/zinc/66/75/65/519667565.db2.gz	XQCGPNPRBXRKJK-UHFFFAOYSA-N	1	0	357.458	1.031	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](CC(C)C)[NH+](C)C)c1	ZINC000042587642	519697364	/nfs/dbraw/zinc/69/73/64/519697364.db2.gz	ULZRZWSKYNOAGD-INIZCTEOSA-N	1	0	367.515	1.857	20	30		FDEDRO
CCN1CC[NH+](CCCCNC(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1	ZINC000042593525	519698050	/nfs/dbraw/zinc/69/80/50/519698050.db2.gz	FJZLIBASXMABIZ-KRWDZBQOSA-N	1	0	358.486	1.859	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H](C)[N@H+](C)C2CC2)c1	ZINC000069129220	521815050	/nfs/dbraw/zinc/81/50/50/521815050.db2.gz	DQWJMIXUKMKOGA-CYBMUJFWSA-N	1	0	351.472	1.363	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CN2CCOCC2)C1	ZINC000069857960	521962137	/nfs/dbraw/zinc/96/21/37/521962137.db2.gz	ALOYOQKSRDUPMX-ZHALLVOQSA-N	1	0	350.507	1.474	20	30		FDEDRO
CN(C(=O)CN1CCC[C@@H](C[NH+]2CCOCC2)C1)C1(C#N)CCCCC1	ZINC000069857233	521962778	/nfs/dbraw/zinc/96/27/78/521962778.db2.gz	CYXWPPVUYHEYSR-SFHVURJKSA-N	1	0	362.518	1.715	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)cc1	ZINC000069855966	521963079	/nfs/dbraw/zinc/96/30/79/521963079.db2.gz	FIPQTNNJZKKFFJ-RTBURBONSA-N	1	0	359.470	1.342	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2cccc(CN3CCOCC3)c2)CC1	ZINC000057175172	522023970	/nfs/dbraw/zinc/02/39/70/522023970.db2.gz	KJOVUILJAKFFMY-UHFFFAOYSA-N	1	0	355.482	1.480	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(=O)n(CCOC)n1)C(C)C	ZINC000046049163	522213647	/nfs/dbraw/zinc/21/36/47/522213647.db2.gz	WFYGZKINFVBGPV-KRWDZBQOSA-N	1	0	362.474	1.318	20	30		FDEDRO
C[C@@H]1CCC[N@H+](CCNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1	ZINC000046377844	522286019	/nfs/dbraw/zinc/28/60/19/522286019.db2.gz	HCZBQRXLDCGIIF-MRXNPFEDSA-N	1	0	356.474	1.517	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C	ZINC000046429756	522296275	/nfs/dbraw/zinc/29/62/75/522296275.db2.gz	WLSAZFIEYGCMPL-INIZCTEOSA-N	1	0	354.458	1.751	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(CC[NH+](C)C)CC(C)C)c1	ZINC000058884931	522311656	/nfs/dbraw/zinc/31/16/56/522311656.db2.gz	QPQWREZRJMLNJQ-UHFFFAOYSA-N	1	0	367.515	1.811	20	30		FDEDRO
COc1cc(C#N)ccc1OCCCC(=O)NCCCN1CC[NH+](C)CC1	ZINC000046744206	522344808	/nfs/dbraw/zinc/34/48/08/522344808.db2.gz	WFKHOFSWHXJORV-UHFFFAOYSA-N	1	0	374.485	1.480	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@@H]([NH+]2CCCC2)C1	ZINC000060374027	522368609	/nfs/dbraw/zinc/36/86/09/522368609.db2.gz	VRJFTZBMQMUOJG-QGZVFWFLSA-N	1	0	366.469	1.847	20	30		FDEDRO
C[NH+]=C(NCC[C@@](O)(c1nccn1C)C(F)(F)F)N1CCC[C@@H](C)C1	ZINC000072874115	522415304	/nfs/dbraw/zinc/41/53/04/522415304.db2.gz	CRGGCTRUHDPIEE-IUODEOHRSA-N	1	0	361.412	1.867	20	30		FDEDRO
NC(=[NH+]OCC(=O)NC1CCCC1)c1ccc(N2CCC(O)CC2)cc1	ZINC000072921452	522426564	/nfs/dbraw/zinc/42/65/64/522426564.db2.gz	IXRANOISHGMDGZ-UHFFFAOYSA-N	1	0	360.458	1.343	20	30		FDEDRO
O=S1(=O)CC[C@@H](CNC(NCc2ccccc2Cl)=[NH+]C2CC2)C1	ZINC000073235059	522493182	/nfs/dbraw/zinc/49/31/82/522493182.db2.gz	UJHQKNSAMNVYAB-LBPRGKRZSA-N	1	0	355.891	1.972	20	30		FDEDRO
C/[NH+]=C(/NCc1cn2ccsc2n1)N1CCN(c2ncccn2)CC1	ZINC000073446356	522527741	/nfs/dbraw/zinc/52/77/41/522527741.db2.gz	PQLNKXWAGVXZFD-UHFFFAOYSA-N	1	0	356.459	1.083	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1	ZINC000063825726	522656345	/nfs/dbraw/zinc/65/63/45/522656345.db2.gz	DTFPQEUDIOKPGK-GOSISDBHSA-N	1	0	371.485	1.193	20	30		FDEDRO
Cn1c(N[C@@H](C[NH+]2CCCC2)c2ccccc2)c(C#N)c(=O)n(C)c1=O	ZINC000074159179	522698549	/nfs/dbraw/zinc/69/85/49/522698549.db2.gz	XQFOSXXSNPUISZ-INIZCTEOSA-N	1	0	353.426	1.205	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(=O)n(Cc2ccccc2)n1	ZINC000064362096	522709953	/nfs/dbraw/zinc/70/99/53/522709953.db2.gz	IIRIGODQAQGOAI-UHFFFAOYSA-N	1	0	367.453	1.599	20	30		FDEDRO
COc1ccc(C[N@@H+]2CCCN(C(=O)CN(C)C[C@H](C)C#N)CC2)cc1	ZINC000064795940	522757477	/nfs/dbraw/zinc/75/74/77/522757477.db2.gz	SSWPBNQYUGQCKY-QGZVFWFLSA-N	1	0	358.486	1.821	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)Cc1ccccc1	ZINC000048833948	522787610	/nfs/dbraw/zinc/78/76/10/522787610.db2.gz	YOYIYGYHXPWLSL-SFHVURJKSA-N	1	0	350.422	1.786	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000065441015	522822159	/nfs/dbraw/zinc/82/21/59/522822159.db2.gz	JNAMQCFBXMSTIP-QGZVFWFLSA-N	1	0	356.474	1.515	20	30		FDEDRO
CC[NH+]1CCC(CCNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1	ZINC000074714150	522825671	/nfs/dbraw/zinc/82/56/71/522825671.db2.gz	ZUNJVEMGADBBOO-UHFFFAOYSA-N	1	0	370.501	1.907	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1	ZINC000050176080	522899102	/nfs/dbraw/zinc/89/91/02/522899102.db2.gz	UWTILAPSHGAQGV-AWEZNQCLSA-N	1	0	358.442	1.742	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1	ZINC000050174566	522899932	/nfs/dbraw/zinc/89/99/32/522899932.db2.gz	NVFMEYNJFKBCMQ-SOUVJXGZSA-N	1	0	372.469	1.988	20	30		FDEDRO
CC(C)CN1C[C@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)CC1=O	ZINC000065930575	522921583	/nfs/dbraw/zinc/92/15/83/522921583.db2.gz	RWUVHZWIAXQRSS-LJQANCHMSA-N	1	0	370.497	1.953	20	30		FDEDRO
CC1CCN(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)CC1	ZINC000065975201	522931055	/nfs/dbraw/zinc/93/10/55/522931055.db2.gz	IDYCEICNZUNOLE-UHFFFAOYSA-N	1	0	364.515	1.899	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CCC)C1	ZINC000051051499	522964922	/nfs/dbraw/zinc/96/49/22/522964922.db2.gz	ZFRPBYWUUKNLAH-QLFBSQMISA-N	1	0	352.479	1.404	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2cccc(CC#N)c2)c1	ZINC000066464002	523065397	/nfs/dbraw/zinc/06/53/97/523065397.db2.gz	AUBLPZSPSSQXFH-UHFFFAOYSA-N	1	0	364.449	1.974	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1	ZINC000076301349	523072657	/nfs/dbraw/zinc/07/26/57/523072657.db2.gz	DWAGQHSBDKEKSB-UHFFFAOYSA-N	1	0	361.417	1.767	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)Nc1cccc2c1C[N@H+](CCCOC)C2	ZINC000076393912	523102128	/nfs/dbraw/zinc/10/21/28/523102128.db2.gz	AILWKGKGQUOHTC-CQSZACIVSA-N	1	0	360.458	1.851	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)CC1	ZINC000076512965	523130660	/nfs/dbraw/zinc/13/06/60/523130660.db2.gz	RUPWMUXIODIMLR-UHFFFAOYSA-N	1	0	368.441	1.681	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1)[N@@H+]1CCC[C@H](C)C1	ZINC000052525287	523192159	/nfs/dbraw/zinc/19/21/59/523192159.db2.gz	HQNRQHHOIYXCDO-IRXDYDNUSA-N	1	0	370.501	1.905	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@H](C1CC1)[NH+](C)C	ZINC000076925606	523204919	/nfs/dbraw/zinc/20/49/19/523204919.db2.gz	LZMLIKWMJQSZPG-KRWDZBQOSA-N	1	0	354.458	1.607	20	30		FDEDRO
CCC[N@H+](CC(=O)N1CCC[C@@H](NC(C)=O)C1)Cc1ccc(C#N)cc1	ZINC000076995427	523233747	/nfs/dbraw/zinc/23/37/47/523233747.db2.gz	DESDKNAVZKAPFB-LJQANCHMSA-N	1	0	356.470	1.897	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)CC1	ZINC000077039750	523241054	/nfs/dbraw/zinc/24/10/54/523241054.db2.gz	MBSKYBAHFTUCHX-GFCCVEGCSA-N	1	0	362.380	1.422	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)NCCCCN1CC[NH+](C)CC1	ZINC000077385401	523317154	/nfs/dbraw/zinc/31/71/54/523317154.db2.gz	GYAJGYDUATZYGL-UHFFFAOYSA-N	1	0	350.488	1.173	20	30		FDEDRO
CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ncn(Cc2ccccc2)n1	ZINC000077697468	523419345	/nfs/dbraw/zinc/41/93/45/523419345.db2.gz	KVUABXDLJJOHFX-CQSZACIVSA-N	1	0	358.446	1.761	20	30		FDEDRO
O=C(Nc1ncn(Cc2ccccc2)n1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000077709439	523427346	/nfs/dbraw/zinc/42/73/46/523427346.db2.gz	TWJTYZOQPQEXTO-JKSUJKDBSA-N	1	0	368.441	1.657	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCN(C(C)=O)CC2)c(OC)c1	ZINC000053457499	523437741	/nfs/dbraw/zinc/43/77/41/523437741.db2.gz	XBXWOLCRPSPDFK-SFHVURJKSA-N	1	0	362.470	1.718	20	30		FDEDRO
C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)C1	ZINC000053580439	523469601	/nfs/dbraw/zinc/46/96/01/523469601.db2.gz	XVVJEWLZLUZSBR-HIFRSBDPSA-N	1	0	353.426	1.203	20	30		FDEDRO
C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cn2cnc(C#N)n2)C1	ZINC000053620586	523475928	/nfs/dbraw/zinc/47/59/28/523475928.db2.gz	RWVIMLRKUAHGSM-HNNXBMFYSA-N	1	0	352.442	1.698	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1	ZINC000067686531	523544523	/nfs/dbraw/zinc/54/45/23/523544523.db2.gz	YJDNFFYEFYKOEF-KRWDZBQOSA-N	1	0	356.474	1.515	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC(=O)N1CCCCC1	ZINC000079324984	523738245	/nfs/dbraw/zinc/73/82/45/523738245.db2.gz	NJQKXJZGINLOLR-UHFFFAOYSA-N	1	0	371.485	1.644	20	30		FDEDRO
C[NH+]1CCN(CCNC(=O)c2ccc(COc3ccccc3C#N)o2)CC1	ZINC000055095487	523747366	/nfs/dbraw/zinc/74/73/66/523747366.db2.gz	XSBQDJWRSSCOAO-UHFFFAOYSA-N	1	0	368.437	1.707	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCN(C(N)=O)C1	ZINC000068310560	523754781	/nfs/dbraw/zinc/75/47/81/523754781.db2.gz	PVUGPCPTCAOQNZ-QGZVFWFLSA-N	1	0	357.458	1.239	20	30		FDEDRO
C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C[NH+]1CCCCC1	ZINC000156650759	524124480	/nfs/dbraw/zinc/12/44/80/524124480.db2.gz	DHARGLPRCKTGOL-ZDUSSCGKSA-N	1	0	366.443	1.867	20	30		FDEDRO
C[N@H+](CC1CC1)C[C@H]1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000081517282	524141966	/nfs/dbraw/zinc/14/19/66/524141966.db2.gz	BRGSPRQGTBQORT-GOSISDBHSA-N	1	0	361.511	1.996	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CNC(=O)c1ccc(F)cc1F	ZINC000137045180	524226060	/nfs/dbraw/zinc/22/60/60/524226060.db2.gz	PLXZLOJDSORLJC-UHFFFAOYSA-N	1	0	352.385	1.389	20	30		FDEDRO
CCN(CCCNC(=[NH2+])N[C@@H]1CCOc2ccccc21)S(C)(=O)=O	ZINC000083033046	524235301	/nfs/dbraw/zinc/23/53/01/524235301.db2.gz	QFEWBKFWTJSHSU-CQSZACIVSA-N	1	0	354.476	1.086	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1cccc(Cl)c1C#N	ZINC000157334094	524255108	/nfs/dbraw/zinc/25/51/08/524255108.db2.gz	XVUXOYQPCOMLFH-LBPRGKRZSA-N	1	0	356.879	1.126	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cc(OC)c(OC)cc2C(=O)N(C)C)CC1	ZINC000138552768	524260744	/nfs/dbraw/zinc/26/07/44/524260744.db2.gz	XXKGOJZLHYFZCK-UHFFFAOYSA-N	1	0	373.453	1.689	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)CN(C)CCN1CCN(c2ccccc2)CC1	ZINC000157787251	524338859	/nfs/dbraw/zinc/33/88/59/524338859.db2.gz	ACZUNGLDMWVCOC-IBGZPJMESA-N	1	0	371.529	1.749	20	30		FDEDRO
CCC[C@@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)CC[N@@H+]1CCOC	ZINC000121732926	524344285	/nfs/dbraw/zinc/34/42/85/524344285.db2.gz	KRSQONOXEYJULI-MOPGFXCFSA-N	1	0	361.486	1.731	20	30		FDEDRO
CC(C)(C#N)c1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1	ZINC000173210185	524345582	/nfs/dbraw/zinc/34/55/82/524345582.db2.gz	QVFKSSNZEUOKPU-KRWDZBQOSA-N	1	0	352.438	1.899	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)CC1	ZINC000121949745	524415903	/nfs/dbraw/zinc/41/59/03/524415903.db2.gz	JLXCTBHDPXVMFA-CYBMUJFWSA-N	1	0	371.445	1.403	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000148569424	524450660	/nfs/dbraw/zinc/45/06/60/524450660.db2.gz	KTUGEZCZBCUOQS-UHFFFAOYSA-N	1	0	364.833	1.377	20	30		FDEDRO
CCOc1ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc1F	ZINC000122148355	524464086	/nfs/dbraw/zinc/46/40/86/524464086.db2.gz	MLIOUQLIKHPIRA-UHFFFAOYSA-N	1	0	364.421	1.857	20	30		FDEDRO
CCC[NH+]1CCC(N2CCN(CC(=O)N(CCC#N)CCC#N)CC2)CC1	ZINC000112358912	524468604	/nfs/dbraw/zinc/46/86/04/524468604.db2.gz	LSBCXFUSGSIXMT-UHFFFAOYSA-N	1	0	374.533	1.134	20	30		FDEDRO
CCC[C@H](CCO)CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000089120965	524476448	/nfs/dbraw/zinc/47/64/48/524476448.db2.gz	URNIIHHWRDTGEM-HUUCEWRRSA-N	1	0	354.495	1.666	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc1	ZINC000122256345	524491442	/nfs/dbraw/zinc/49/14/42/524491442.db2.gz	PPAVHDSTOTZQOS-CJNGLKHVSA-N	1	0	351.472	1.493	20	30		FDEDRO
C[C@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)CN1CC[NH+](C)CC1	ZINC000122255637	524491954	/nfs/dbraw/zinc/49/19/54/524491954.db2.gz	DLDVBCHIYFOFDP-CYBMUJFWSA-N	1	0	370.906	1.373	20	30		FDEDRO
C=CCOc1ccccc1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1	ZINC000150897712	524500797	/nfs/dbraw/zinc/50/07/97/524500797.db2.gz	QVEURPIJDLBBOD-UHFFFAOYSA-N	1	0	371.441	1.378	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(OCC(F)F)n2)c1C#N	ZINC000089677023	524520089	/nfs/dbraw/zinc/52/00/89/524520089.db2.gz	LDSSEWUNRPADAN-UHFFFAOYSA-N	1	0	364.356	1.725	20	30		FDEDRO
CC(C)[C@H](CNC(=O)Cc1cccc(OCC#N)c1)[NH+]1CCN(C)CC1	ZINC000089842582	524534833	/nfs/dbraw/zinc/53/48/33/524534833.db2.gz	JTOGNOMWHQLPRZ-IBGZPJMESA-N	1	0	358.486	1.520	20	30		FDEDRO
O=C(C#Cc1ccc2c(c1)OCO2)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1	ZINC000122431275	524535590	/nfs/dbraw/zinc/53/55/90/524535590.db2.gz	WRSLNMHHCIQXMA-ROUUACIJSA-N	1	0	370.449	1.651	20	30		FDEDRO
COCCOc1cc(C)ccc1CNC(=[NH2+])NCCCN1CCOCC1	ZINC000151292110	524551200	/nfs/dbraw/zinc/55/12/00/524551200.db2.gz	XKNRIXPTHLXLNZ-UHFFFAOYSA-N	1	0	364.490	1.147	20	30		FDEDRO
O=C(NCC[NH2+]Cc1ccc(OCC(F)F)cc1)C1N=CC=CC1=O	ZINC000174392681	524562622	/nfs/dbraw/zinc/56/26/22/524562622.db2.gz	FGZBDQWQTLMFJU-MSUUIHNZSA-N	1	0	351.353	1.947	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(C)nc2c1c(=O)[nH]n2C)C(C)C	ZINC000112919926	524594668	/nfs/dbraw/zinc/59/46/68/524594668.db2.gz	LYKJAJVKMXDIQI-INIZCTEOSA-N	1	0	371.485	1.998	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)ccc1F	ZINC000159192564	524614404	/nfs/dbraw/zinc/61/44/04/524614404.db2.gz	AGWPKUQWNAZQCY-OKILXGFUSA-N	1	0	367.446	1.257	20	30		FDEDRO
C[NH+]=C(NCc1ccc(S(N)(=O)=O)s1)NC[C@]1(C)CCCS1	ZINC000159279256	524631857	/nfs/dbraw/zinc/63/18/57/524631857.db2.gz	QWUMSAAMQZWPOM-ZDUSSCGKSA-N	1	0	362.546	1.346	20	30		FDEDRO
C[C@H](CC#N)NC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1	ZINC000122926604	524643997	/nfs/dbraw/zinc/64/39/97/524643997.db2.gz	VUVKQAVNHGBBPE-CQSZACIVSA-N	1	0	357.458	1.574	20	30		FDEDRO
Cc1cc(N2CC[C@@H]([NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)C2=O)n(C)n1	ZINC000174620357	524656781	/nfs/dbraw/zinc/65/67/81/524656781.db2.gz	PIGXWFIHLAOMPF-WMLDXEAASA-N	1	0	353.426	1.915	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C1	ZINC000091250326	524682659	/nfs/dbraw/zinc/68/26/59/524682659.db2.gz	DMNHZIHBDOLCHB-OAHLLOKOSA-N	1	0	374.489	1.758	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)NCC1([NH+](C)C)CCOCC1	ZINC000113990458	524731062	/nfs/dbraw/zinc/73/10/62/524731062.db2.gz	YDCOTQCJDGJQIE-UHFFFAOYSA-N	1	0	361.490	1.573	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C)c2C#N)CC1	ZINC000174825893	524751788	/nfs/dbraw/zinc/75/17/88/524751788.db2.gz	RSDDTJVXHAPLLE-UHFFFAOYSA-N	1	0	358.442	1.422	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](CC(C)C)C(=O)Nc2nccs2)CC1	ZINC000091839510	524796091	/nfs/dbraw/zinc/79/60/91/524796091.db2.gz	ZAZIZBQKBYUDEC-OAHLLOKOSA-N	1	0	362.499	1.958	20	30		FDEDRO
CCN(CCC#N)C(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C	ZINC000123930285	524863614	/nfs/dbraw/zinc/86/36/14/524863614.db2.gz	POASYODPKLMXFP-UHFFFAOYSA-N	1	0	371.485	1.838	20	30		FDEDRO
Cc1nc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c(=O)[nH]c1C	ZINC000092349365	524874341	/nfs/dbraw/zinc/87/43/41/524874341.db2.gz	RULBKGAAOSYBKG-UHFFFAOYSA-N	1	0	353.426	1.462	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNC(=O)c2ccccc2OCC#N)ccn1	ZINC000124119594	524909640	/nfs/dbraw/zinc/90/96/40/524909640.db2.gz	DZXUSYOPZPUKAH-UHFFFAOYSA-N	1	0	354.410	1.854	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1	ZINC000092799424	524917062	/nfs/dbraw/zinc/91/70/62/524917062.db2.gz	VGFSBKKBAQYRQM-UHFFFAOYSA-N	1	0	374.460	1.665	20	30		FDEDRO
C[NH+](C)CCCOC1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000175303813	524936130	/nfs/dbraw/zinc/93/61/30/524936130.db2.gz	NMNOKYZYJALEGP-UHFFFAOYSA-N	1	0	351.472	1.680	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccc(CNC(=O)c3cc(C#N)c[nH]3)cc2)CC1	ZINC000175325944	524946009	/nfs/dbraw/zinc/94/60/09/524946009.db2.gz	YUEFFYUGUMSEMP-UHFFFAOYSA-N	1	0	351.454	1.954	20	30		FDEDRO
C=CCCCC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1	ZINC000175637726	524985808	/nfs/dbraw/zinc/98/58/08/524985808.db2.gz	FGZURFNZTDDBQH-INIZCTEOSA-N	1	0	359.474	1.755	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1cn(Cc2cccc(F)c2)nn1	ZINC000124466329	524996025	/nfs/dbraw/zinc/99/60/25/524996025.db2.gz	ISKJFLLRQFIUQP-UHFFFAOYSA-N	1	0	358.421	1.773	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1	ZINC000152883009	525038081	/nfs/dbraw/zinc/03/80/81/525038081.db2.gz	RYGFTUQJFYKXNP-SFHVURJKSA-N	1	0	357.454	1.630	20	30		FDEDRO
C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000161433490	525108622	/nfs/dbraw/zinc/10/86/22/525108622.db2.gz	SERLCVCSTKCSSN-CQSZACIVSA-N	1	0	351.472	1.272	20	30		FDEDRO
C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2ccc(F)c(C#N)c2)CC1	ZINC000161472508	525115435	/nfs/dbraw/zinc/11/54/35/525115435.db2.gz	XOYFYEVELSWQTO-ZDUSSCGKSA-N	1	0	369.462	1.411	20	30		FDEDRO
CC[NH+]=C(NC[C@H](O)c1ccc(Cl)cc1)N[C@H]1CCc2ncnn2C1	ZINC000153399136	525200736	/nfs/dbraw/zinc/20/07/36/525200736.db2.gz	YBBKWDQCOOGLRJ-GJZGRUSLSA-N	1	0	362.865	1.535	20	30		FDEDRO
CC(C)[C@@H](CCO)[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000162002687	525201045	/nfs/dbraw/zinc/20/10/45/525201045.db2.gz	NPYKJLKXRJMKJR-HZPDHXFCSA-N	1	0	364.515	1.454	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c1C#N	ZINC000125604858	525218399	/nfs/dbraw/zinc/21/83/99/525218399.db2.gz	IVWRTFVCBDTANZ-GFCCVEGCSA-N	1	0	358.446	1.163	20	30		FDEDRO
CC(C)OCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C#N)cc2)CC1	ZINC000177107200	525239993	/nfs/dbraw/zinc/23/99/93/525239993.db2.gz	NCYOWOBSJHBBAY-UHFFFAOYSA-N	1	0	358.442	1.502	20	30		FDEDRO
C[NH+](C)C1CCN(CCNC(=O)CSCc2ccc(C#N)cc2)CC1	ZINC000177150112	525248733	/nfs/dbraw/zinc/24/87/33/525248733.db2.gz	ITMQNPYUOIKXIO-UHFFFAOYSA-N	1	0	360.527	1.934	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1	ZINC000177179952	525252469	/nfs/dbraw/zinc/25/24/69/525252469.db2.gz	ABVGIKYNSFQIMX-HIFRSBDPSA-N	1	0	363.483	1.506	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1	ZINC000177179995	525253233	/nfs/dbraw/zinc/25/32/33/525253233.db2.gz	ABVGIKYNSFQIMX-DZGCQCFKSA-N	1	0	363.483	1.506	20	30		FDEDRO
C[NH+](C)CCCOC1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1	ZINC000126033060	525265026	/nfs/dbraw/zinc/26/50/26/525265026.db2.gz	NIQLCEXFKUAHIY-UHFFFAOYSA-N	1	0	372.469	1.247	20	30		FDEDRO
N#Cc1ccc(NC(=O)CN2CC[NH+](C3CCOCC3)CC2)cc1Cl	ZINC000177754843	525343929	/nfs/dbraw/zinc/34/39/29/525343929.db2.gz	CYLXKKTVDKBJMU-UHFFFAOYSA-N	1	0	362.861	1.947	20	30		FDEDRO
CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1	ZINC000163190178	525373810	/nfs/dbraw/zinc/37/38/10/525373810.db2.gz	GGCBAJZWTADONJ-UHFFFAOYSA-N	1	0	358.442	1.838	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1ccc(N2CCCCC2=O)cc1	ZINC000104179102	525397742	/nfs/dbraw/zinc/39/77/42/525397742.db2.gz	LDEMNKRPHQKHLT-UHFFFAOYSA-N	1	0	373.501	1.201	20	30		FDEDRO
COc1ccc([C@H](CNC(=[NH2+])NC(C)(C)C)N2CCOCC2)cc1OC	ZINC000104154806	525398596	/nfs/dbraw/zinc/39/85/96/525398596.db2.gz	TZIUAJSYHHFJEN-HNNXBMFYSA-N	1	0	364.490	1.780	20	30		FDEDRO
CC[NH+](CC)[C@@H](CNC(=O)Cn1cnc(C#N)n1)c1cccc(OC)c1	ZINC000178368798	525417056	/nfs/dbraw/zinc/41/70/56/525417056.db2.gz	OCJFBWXTFMQARL-INIZCTEOSA-N	1	0	356.430	1.358	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1	ZINC000127655505	525446506	/nfs/dbraw/zinc/44/65/06/525446506.db2.gz	UNQVUCCIAROWDA-ZBFHGGJFSA-N	1	0	363.483	1.153	20	30		FDEDRO
C[C@H](CNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[N@H+](C)C1CC1	ZINC000105237162	525480341	/nfs/dbraw/zinc/48/03/41/525480341.db2.gz	ZYWXQGBUHZZRDJ-CQSZACIVSA-N	1	0	356.474	1.704	20	30		FDEDRO
C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1	ZINC000105325429	525499544	/nfs/dbraw/zinc/49/95/44/525499544.db2.gz	QPTIQCOXPBNDSD-MRXNPFEDSA-N	1	0	363.483	1.930	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1	ZINC000178905643	525502096	/nfs/dbraw/zinc/50/20/96/525502096.db2.gz	PEBHGFLXCLFUDB-WMZOPIPTSA-N	1	0	372.469	1.000	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NCC[C@@H]2CC[NH2+]C2)ccc1F	ZINC000178939184	525508333	/nfs/dbraw/zinc/50/83/33/525508333.db2.gz	PQCZVDHGSSRRAU-LBPRGKRZSA-N	1	0	355.435	1.019	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)NC(=O)c2cccs2)c1C#N	ZINC000128157699	525509673	/nfs/dbraw/zinc/50/96/73/525509673.db2.gz	QLGZMLJLFKLNKW-JTQLQIEISA-N	1	0	360.443	1.252	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=O)CC2([NH+]3CCOCC3)CCCC2)c1	ZINC000118776687	525541182	/nfs/dbraw/zinc/54/11/82/525541182.db2.gz	VUIGMPZJKKHWNU-UHFFFAOYSA-N	1	0	369.465	1.758	20	30		FDEDRO
CC[NH+]=C(NCc1cccc(CO)c1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000179203938	525543363	/nfs/dbraw/zinc/54/33/63/525543363.db2.gz	LBCBGWVZPUEZLR-UHFFFAOYSA-N	1	0	353.488	1.153	20	30		FDEDRO
CC[NH+]=C(NCc1ccc([C@@H](C)O)cc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000179204271	525544324	/nfs/dbraw/zinc/54/43/24/525544324.db2.gz	OKRJPLMHJHABKU-CQSZACIVSA-N	1	0	367.515	1.714	20	30		FDEDRO
CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000128489945	525548018	/nfs/dbraw/zinc/54/80/18/525548018.db2.gz	WVZBSLLNMLKGSU-HNNXBMFYSA-N	1	0	360.462	1.362	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2ccc(F)c(NS(C)(=O)=O)c2)CC1	ZINC000106035344	525553293	/nfs/dbraw/zinc/55/32/93/525553293.db2.gz	TYEAMODCGAOTQZ-UHFFFAOYSA-N	1	0	369.462	1.968	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CCc2nc(-c3ncccn3)no2)CC1	ZINC000106034476	525553641	/nfs/dbraw/zinc/55/36/41/525553641.db2.gz	TWUVGNMEPQEWFH-UHFFFAOYSA-N	1	0	356.430	1.616	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCCN2S(=O)(=O)CCC)CC1	ZINC000106035831	525553822	/nfs/dbraw/zinc/55/38/22/525553822.db2.gz	NCEIFERUPVZLSH-KRWDZBQOSA-N	1	0	371.547	1.737	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000106040342	525554465	/nfs/dbraw/zinc/55/44/65/525554465.db2.gz	DOWPDBWNVOSHEU-CQSZACIVSA-N	1	0	374.441	1.870	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2ccc3c(c2)[nH]c(=O)c(=O)n3CC)CC1	ZINC000106040570	525554516	/nfs/dbraw/zinc/55/45/16/525554516.db2.gz	KUSZRRGIGSQZHI-UHFFFAOYSA-N	1	0	370.453	1.480	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)Sc2nnnn2C2CC2)CC1	ZINC000106034916	525554622	/nfs/dbraw/zinc/55/46/22/525554622.db2.gz	BJPGOHRPQFPTLV-LBPRGKRZSA-N	1	0	350.492	1.645	20	30		FDEDRO
C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1	ZINC000179769280	525630251	/nfs/dbraw/zinc/63/02/51/525630251.db2.gz	QBEXLMPZTMOMED-UHFFFAOYSA-N	1	0	372.469	1.275	20	30		FDEDRO
C#CCOc1ccc(C[N@H+]2CCCN(CC(=O)N3CCCC3)CC2)cc1	ZINC000129309108	525640676	/nfs/dbraw/zinc/64/06/76/525640676.db2.gz	KZIWNPVMVANCCV-UHFFFAOYSA-N	1	0	355.482	1.829	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=O)NC2CC[NH+](CC(=C)C)CC2)c1	ZINC000106275559	525686796	/nfs/dbraw/zinc/68/67/96/525686796.db2.gz	XARRKTFKFJTMBS-UHFFFAOYSA-N	1	0	354.454	1.946	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1	ZINC000180359131	525695765	/nfs/dbraw/zinc/69/57/65/525695765.db2.gz	RSWINVWQGDFGDZ-UHFFFAOYSA-N	1	0	358.442	1.884	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccnc2OC(C)C)CC1	ZINC000106349126	525699348	/nfs/dbraw/zinc/69/93/48/525699348.db2.gz	RWOQBIRJLWGJMA-UHFFFAOYSA-N	1	0	360.458	1.964	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1	ZINC000130018637	525714899	/nfs/dbraw/zinc/71/48/99/525714899.db2.gz	IIADHSPYESZESG-INIZCTEOSA-N	1	0	358.486	1.858	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1	ZINC000180544898	525720209	/nfs/dbraw/zinc/72/02/09/525720209.db2.gz	FOTVMAHDFXPELY-GOSISDBHSA-N	1	0	366.465	1.620	20	30		FDEDRO
CCC[N@@H+]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1	ZINC000155120668	525752773	/nfs/dbraw/zinc/75/27/73/525752773.db2.gz	QFBVNSKVPVGWAW-UHFFFAOYSA-N	1	0	360.462	1.393	20	30		FDEDRO
COCC[C@@H](Cc1cccc(F)c1)[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000180871864	525768175	/nfs/dbraw/zinc/76/81/75/525768175.db2.gz	SFXPNXMJBRGXOS-NXDJFEHLSA-N	1	0	361.417	1.889	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](O)c2cccc(F)c2)CC1	ZINC000170911724	525768474	/nfs/dbraw/zinc/76/84/74/525768474.db2.gz	PSAUHSDHFATOBB-OAHLLOKOSA-N	1	0	352.410	1.384	20	30		FDEDRO
C[C@H]1C[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)CN1Cc1ccccc1	ZINC000119708350	525833475	/nfs/dbraw/zinc/83/34/75/525833475.db2.gz	HJJNGFXXFJYVAW-WXOYBGPJSA-N	1	0	354.454	1.765	20	30		FDEDRO
C[C@@H]1CCC[N@H+](CCCCNC(=O)CNC(=O)c2ccc(C#N)cc2)C1	ZINC000171112532	525853166	/nfs/dbraw/zinc/85/31/66/525853166.db2.gz	NICHLZMZKAQOEW-MRXNPFEDSA-N	1	0	356.470	1.916	20	30		FDEDRO
N#CCCCCS(=O)(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1	ZINC000181480954	525860402	/nfs/dbraw/zinc/86/04/02/525860402.db2.gz	ADZVYGYMISKORV-KRWDZBQOSA-N	1	0	351.472	1.366	20	30		FDEDRO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[NH+](CC(C)(C)O)CC1	ZINC000171150117	525872957	/nfs/dbraw/zinc/87/29/57/525872957.db2.gz	GVJGAGYFOKGIKU-OHTSDLOESA-N	1	0	364.534	1.694	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)c2ccc(C#N)cn2)CC1	ZINC000107780497	525919620	/nfs/dbraw/zinc/91/96/20/525919620.db2.gz	LCVHOPIVDJNKSP-UHFFFAOYSA-N	1	0	371.485	1.654	20	30		FDEDRO
CS(=O)(=O)N1CC[C@@H](C[NH2+]Cc2cccc(OCCCC#N)c2)C1	ZINC000119970507	525923828	/nfs/dbraw/zinc/92/38/28/525923828.db2.gz	TVMUETVBYVTYHH-INIZCTEOSA-N	1	0	351.472	1.740	20	30		FDEDRO
CC[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C(=O)N1CCOCC1	ZINC000181871726	525964111	/nfs/dbraw/zinc/96/41/11/525964111.db2.gz	UOTYRNWKLYUVGL-FQEVSTJZSA-N	1	0	370.497	1.750	20	30		FDEDRO
CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)C1	ZINC000181882385	525968413	/nfs/dbraw/zinc/96/84/13/525968413.db2.gz	XIQZKSAXHNAINB-GJZGRUSLSA-N	1	0	358.442	1.859	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1	ZINC000108612005	526004930	/nfs/dbraw/zinc/00/49/30/526004930.db2.gz	BDIYKOLUZBJRHH-INIZCTEOSA-N	1	0	357.454	1.874	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCCCCC#N)cc2)CC1	ZINC000171474870	526008479	/nfs/dbraw/zinc/00/84/79/526008479.db2.gz	YZXRWZNITLWQNX-UHFFFAOYSA-N	1	0	371.485	1.573	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1	ZINC000171564658	526035481	/nfs/dbraw/zinc/03/54/81/526035481.db2.gz	JDKZIMDYJUEUEP-UHFFFAOYSA-N	1	0	355.442	1.008	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(C(N)=O)ccc2F)CC1	ZINC000171621163	526053057	/nfs/dbraw/zinc/05/30/57/526053057.db2.gz	SXLPGNVMRALSAH-UHFFFAOYSA-N	1	0	362.405	1.020	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000120431567	526060430	/nfs/dbraw/zinc/06/04/30/526060430.db2.gz	URAXVFWRYUDFTQ-ZDUSSCGKSA-N	1	0	364.427	1.573	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)c1C#N	ZINC000133471803	526063937	/nfs/dbraw/zinc/06/39/37/526063937.db2.gz	PQDBVJHPJDBEHM-LBPRGKRZSA-N	1	0	370.388	1.637	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)CC1	ZINC000109056371	526067839	/nfs/dbraw/zinc/06/78/39/526067839.db2.gz	VFDQDYFMVBNUDF-IBGZPJMESA-N	1	0	371.481	1.571	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](CN1CCOCC1)c1ccccc1	ZINC000182139906	526069946	/nfs/dbraw/zinc/06/99/46/526069946.db2.gz	XUWHBQWPFFYMEF-HKUYNNGSSA-N	1	0	358.486	1.658	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000171701109	526081253	/nfs/dbraw/zinc/08/12/53/526081253.db2.gz	APFJZMCMNIKYKO-SFHVURJKSA-N	1	0	370.501	1.905	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCCN2C(=O)c3ccccc3C2=O)CC1	ZINC000171722452	526094322	/nfs/dbraw/zinc/09/43/22/526094322.db2.gz	BETOORJMBAJPRY-UHFFFAOYSA-N	1	0	356.426	1.232	20	30		FDEDRO
C[NH+]=C(NCc1c(C)noc1C)NCc1cccnc1N1CCN(C)CC1	ZINC000156262867	526095352	/nfs/dbraw/zinc/09/53/52/526095352.db2.gz	GLWZMXVLZDRRIU-UHFFFAOYSA-N	1	0	371.489	1.303	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)CC1	ZINC000171727265	526095712	/nfs/dbraw/zinc/09/57/12/526095712.db2.gz	XFGRCVJTZYFMLM-UHFFFAOYSA-N	1	0	365.499	1.754	20	30		FDEDRO
CC[NH+](CC)CCNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1	ZINC000134101967	526124006	/nfs/dbraw/zinc/12/40/06/526124006.db2.gz	BYXVVRCKMQJNSZ-UHFFFAOYSA-N	1	0	351.472	1.836	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H](O)CCc1ccccc1	ZINC000182460932	526179172	/nfs/dbraw/zinc/17/91/72/526179172.db2.gz	FRYXXAZFULFVEX-FUHWJXTLSA-N	1	0	351.454	1.852	20	30		FDEDRO
N#Cc1c(NC(=O)CC[N@@H+](CCO)CCCO)sc2c1CCCC2	ZINC000109797533	526185151	/nfs/dbraw/zinc/18/51/51/526185151.db2.gz	COYHGTVROPQZLO-UHFFFAOYSA-N	1	0	351.472	1.504	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N(C)C[C@@H](O)COCc2ccccc2)CC1	ZINC000171944076	526189048	/nfs/dbraw/zinc/18/90/48/526189048.db2.gz	GBQMXIICFMIOKN-LJQANCHMSA-N	1	0	361.486	1.856	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N(C)C[C@H](O)COCc2ccccc2)CC1	ZINC000171944070	526189264	/nfs/dbraw/zinc/18/92/64/526189264.db2.gz	GBQMXIICFMIOKN-IBGZPJMESA-N	1	0	361.486	1.856	20	30		FDEDRO
Cn1nnc2cc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cnc21	ZINC000183424990	535979751	/nfs/dbraw/zinc/97/97/51/535979751.db2.gz	GJRUKFYPUGETMT-UHFFFAOYSA-N	1	0	363.425	1.439	20	30		FDEDRO
COC[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C1CC1	ZINC000183451003	535984236	/nfs/dbraw/zinc/98/42/36/535984236.db2.gz	KIXGYKABFYJLOJ-CVEARBPZSA-N	1	0	362.499	1.472	20	30		FDEDRO
COC(=O)c1cn(C2CC[NH+](Cc3cc(C#N)ccc3OC)CC2)nn1	ZINC000183740126	536040192	/nfs/dbraw/zinc/04/01/92/536040192.db2.gz	FPUAEWASVJEKKJ-UHFFFAOYSA-N	1	0	355.398	1.782	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1	ZINC000183757527	536045674	/nfs/dbraw/zinc/04/56/74/536045674.db2.gz	JHVCPODNIOAUQT-MRXNPFEDSA-N	1	0	370.519	1.075	20	30		FDEDRO
C[NH+](C)C1(CNS(=O)(=O)c2cc(C#N)ccc2Cl)CCOCC1	ZINC000184718169	536178284	/nfs/dbraw/zinc/17/82/84/536178284.db2.gz	NFVKKJSHAJZWEA-UHFFFAOYSA-N	1	0	357.863	1.601	20	30		FDEDRO
N#Cc1ccc(Cl)c(S(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)c1	ZINC000184858205	536188068	/nfs/dbraw/zinc/18/80/68/536188068.db2.gz	MJRLRMBNCLLORW-ZDUSSCGKSA-N	1	0	357.863	1.337	20	30		FDEDRO
COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1	ZINC000185859116	536219543	/nfs/dbraw/zinc/21/95/43/536219543.db2.gz	DVXYLPHWEZHPSD-IAGOWNOFSA-N	1	0	364.467	1.946	20	30		FDEDRO
C#C[C@@H](C)NC(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1	ZINC000186053679	536224332	/nfs/dbraw/zinc/22/43/32/536224332.db2.gz	KUNMPNJTKGUKLS-MRXNPFEDSA-N	1	0	359.470	1.997	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC[C@@H]1O	ZINC000186822520	536245444	/nfs/dbraw/zinc/24/54/44/536245444.db2.gz	KSGCDUNZUPVHMT-MNEFBYGVSA-N	1	0	374.460	1.237	20	30		FDEDRO
CN(C)CC[NH+]1CCC(CNC(=O)C2(c3ccc(C#N)cc3)CC2)CC1	ZINC000186921160	536248644	/nfs/dbraw/zinc/24/86/44/536248644.db2.gz	JGZMBKBAHBLKBX-UHFFFAOYSA-N	1	0	354.498	1.980	20	30		FDEDRO
C[NH+](C)CCNC(=O)C1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1	ZINC000186922637	536248695	/nfs/dbraw/zinc/24/86/95/536248695.db2.gz	DMOGTHNBMQIREW-UHFFFAOYSA-N	1	0	368.481	1.506	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1	ZINC000187250738	536258840	/nfs/dbraw/zinc/25/88/40/536258840.db2.gz	PYMIOIIQOKCWEF-UHFFFAOYSA-N	1	0	374.485	1.476	20	30		FDEDRO
CC(C)CO[C@@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1	ZINC000246219201	536903125	/nfs/dbraw/zinc/90/31/25/536903125.db2.gz	ZJDAXTKMZLDOJH-QZTJIDSGSA-N	1	0	350.507	1.426	20	30		FDEDRO
COc1cccc(CNC(=O)CON=C(N)c2ccc(C[NH+](C)C)cc2)c1	ZINC000266999942	536947654	/nfs/dbraw/zinc/94/76/54/536947654.db2.gz	GPHXJJSXBDWSGF-UHFFFAOYSA-N	1	0	370.453	1.710	20	30		FDEDRO
C[C@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)CC[N@@H+]1CC(C)(C)O	ZINC000188962349	536978302	/nfs/dbraw/zinc/97/83/02/536978302.db2.gz	VFNWEUBRNICAKK-HNNXBMFYSA-N	1	0	360.458	1.424	20	30		FDEDRO
CC[NH+]=C(NCCc1csc(C(C)C)n1)N1CCN(C(C)=O)CC1	ZINC000263242474	536999056	/nfs/dbraw/zinc/99/90/56/536999056.db2.gz	LSMLSRWUVFDOFH-UHFFFAOYSA-N	1	0	351.520	1.939	20	30		FDEDRO
CC[NH+]=C(NC[C@H]1CCN(CC(F)(F)F)C1)N1CCN(C(C)=O)CC1	ZINC000263247389	537000823	/nfs/dbraw/zinc/00/08/23/537000823.db2.gz	NKPRECRXBWKJLF-CQSZACIVSA-N	1	0	363.428	1.000	20	30		FDEDRO
C[NH+]=C(NC[C@@H](c1ccco1)N1CCCCC1)N1CCN(C(C)=O)CC1	ZINC000263258035	537002907	/nfs/dbraw/zinc/00/29/07/537002907.db2.gz	RMQMGHXCTAVPSF-KRWDZBQOSA-N	1	0	361.490	1.546	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccnn1C1CC[NH+](CC)CC1	ZINC000189132462	537003220	/nfs/dbraw/zinc/00/32/20/537003220.db2.gz	SSVOUZSRYOVQQP-AWEZNQCLSA-N	1	0	360.462	1.487	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1	ZINC000268950610	537016492	/nfs/dbraw/zinc/01/64/92/537016492.db2.gz	CZFQRWIUXMLZMD-OALUTQOASA-N	1	0	372.469	1.766	20	30		FDEDRO
C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000189475523	537053695	/nfs/dbraw/zinc/05/36/95/537053695.db2.gz	VETARDSKVFNSSR-AWEZNQCLSA-N	1	0	355.442	1.885	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)CC1=O	ZINC000246957378	537058056	/nfs/dbraw/zinc/05/80/56/537058056.db2.gz	JONOVRVELKEZKI-XLSPSMHOSA-N	1	0	360.502	1.908	20	30		FDEDRO
C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)CC1(CO)CC1	ZINC000190032189	537130262	/nfs/dbraw/zinc/13/02/62/537130262.db2.gz	CVQLYWXQFFLMKN-UHFFFAOYSA-N	1	0	354.372	1.877	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)CC1	ZINC000264346841	537142007	/nfs/dbraw/zinc/14/20/07/537142007.db2.gz	ATEZGHIRVRQLCA-KRWDZBQOSA-N	1	0	359.495	1.968	20	30		FDEDRO
CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC000264565257	537145665	/nfs/dbraw/zinc/14/56/65/537145665.db2.gz	PMWZOPOOZMYGTJ-MRXNPFEDSA-N	1	0	351.472	1.883	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NCC#Cc2ccccc2)CC1	ZINC000264587579	537146256	/nfs/dbraw/zinc/14/62/56/537146256.db2.gz	ZPXPACTVAQIAMD-FQEVSTJZSA-N	1	0	354.498	1.850	20	30		FDEDRO
C[NH+](C)CCNC(=O)C1CCN(C(=O)/C=C/c2ccc(C#N)cc2)CC1	ZINC000264888533	537149436	/nfs/dbraw/zinc/14/94/36/537149436.db2.gz	JKIBLLUZJANZAN-BQYQJAHWSA-N	1	0	354.454	1.488	20	30		FDEDRO
C#C[C@@H](C)NC(=O)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1	ZINC000190241377	537156628	/nfs/dbraw/zinc/15/66/28/537156628.db2.gz	UZBBNQQWENJSGA-OAHLLOKOSA-N	1	0	370.453	1.578	20	30		FDEDRO
CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1nn(C(C)C)cc1C#N	ZINC000190350630	537166604	/nfs/dbraw/zinc/16/66/04/537166604.db2.gz	UJXGMMJKSWFMOD-LSDHHAIUSA-N	1	0	358.446	1.359	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1	ZINC000265851735	537177502	/nfs/dbraw/zinc/17/75/02/537177502.db2.gz	QDFFCPXKCBQPNZ-HNNXBMFYSA-N	1	0	367.471	1.207	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1	ZINC000248535448	537190334	/nfs/dbraw/zinc/19/03/34/537190334.db2.gz	KECOMKUPJDMLTL-DOTOQJQBSA-N	1	0	355.438	1.580	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@@H]3CCC[C@@H](C)[C@H]3C)CC2)o1	ZINC000248568377	537192596	/nfs/dbraw/zinc/19/25/96/537192596.db2.gz	PVFPDTVIBBHLCS-IIAWOOMASA-N	1	0	359.474	1.918	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000248598870	537195676	/nfs/dbraw/zinc/19/56/76/537195676.db2.gz	IRBLCDPXPSLYGV-QZTJIDSGSA-N	1	0	374.485	1.120	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@]2(C)C(N)=O)c(OC)c1	ZINC000248630379	537198459	/nfs/dbraw/zinc/19/84/59/537198459.db2.gz	WGUCQVDURFZWNM-UZLBHIALSA-N	1	0	362.470	1.893	20	30		FDEDRO
C[C@H]1C[N@H+](CC(C)(C)O)CCN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000248763768	537211636	/nfs/dbraw/zinc/21/16/36/537211636.db2.gz	RIAGRABMCKFUGZ-LPHOPBHVSA-N	1	0	370.497	1.831	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)C(C)C	ZINC000248847387	537215917	/nfs/dbraw/zinc/21/59/17/537215917.db2.gz	BDHRRIIPLLLMAB-BRWVUGGUSA-N	1	0	359.536	1.629	20	30		FDEDRO
N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1	ZINC000192613865	537226995	/nfs/dbraw/zinc/22/69/95/537226995.db2.gz	OEVLYEGNXAEXKV-DLBZAZTESA-N	1	0	363.483	1.879	20	30		FDEDRO
C[C@@H]1CN([C@H]2CCN(c3sccc3C#N)C2=O)CC[N@@H+]1CC(C)(C)O	ZINC000249294276	537232135	/nfs/dbraw/zinc/23/21/35/537232135.db2.gz	AVPARJULCCTDRD-HIFRSBDPSA-N	1	0	362.499	1.502	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)C(=O)N(C)CCC#N	ZINC000192947665	537236772	/nfs/dbraw/zinc/23/67/72/537236772.db2.gz	LKBLQQTVNCWSRF-GJZGRUSLSA-N	1	0	350.488	1.472	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)cn2)CC1	ZINC000193364453	537245976	/nfs/dbraw/zinc/24/59/76/537245976.db2.gz	NIJYTHYTWBDAIQ-UHFFFAOYSA-N	1	0	367.247	1.549	20	30		FDEDRO
CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000252663610	537251361	/nfs/dbraw/zinc/25/13/61/537251361.db2.gz	RTUGQDAEFYFGRJ-DOTOQJQBSA-N	1	0	356.474	1.514	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCOc3ccccc32)CC1	ZINC000285772053	537267374	/nfs/dbraw/zinc/26/73/74/537267374.db2.gz	CDOOHQUQQXPVMH-INIZCTEOSA-N	1	0	371.481	1.826	20	30		FDEDRO
CCNC(=O)OC[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1	ZINC000285793688	537287343	/nfs/dbraw/zinc/28/73/43/537287343.db2.gz	ZQMXTLTVLZGRRT-SJORKVTESA-N	1	0	361.442	1.899	20	30		FDEDRO
CCO[C@@H]1C[C@@H](O)C12CC[NH+]([C@@H](C)C(=O)NC1(C#N)CCCCC1)CC2	ZINC000332845155	537289852	/nfs/dbraw/zinc/28/98/52/537289852.db2.gz	GETWSIURHFAEDM-GVDBMIGSSA-N	1	0	363.502	1.969	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC(F)F)nc2)CC1	ZINC000282671542	537330929	/nfs/dbraw/zinc/33/09/29/537330929.db2.gz	AMIJOXLFYPFWTD-UHFFFAOYSA-N	1	0	368.384	1.778	20	30		FDEDRO
C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	ZINC000290396200	537341856	/nfs/dbraw/zinc/34/18/56/537341856.db2.gz	DUFJSOGRIHEOGH-ZDUSSCGKSA-N	1	0	367.409	1.750	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NC[C@H]2CCC3(CCOCC3)[C@H]2O)cc1	ZINC000282909801	537344576	/nfs/dbraw/zinc/34/45/76/537344576.db2.gz	GSPDRWMCVBCFOC-AEFFLSMTSA-N	1	0	361.486	1.710	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)cc2C(=O)OC)CC1	ZINC000272870402	537352032	/nfs/dbraw/zinc/35/20/32/537352032.db2.gz	LYGKUXLLBSLLIA-UHFFFAOYSA-N	1	0	373.453	1.877	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C	ZINC000279700974	537353518	/nfs/dbraw/zinc/35/35/18/537353518.db2.gz	JJNWTLVXHPALJJ-RDJZCZTQSA-N	1	0	364.469	1.026	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNC(=O)NCC#Cc2ccccc2)ccn1	ZINC000270558734	537355397	/nfs/dbraw/zinc/35/53/97/537355397.db2.gz	IUGULFQGPUFYBC-UHFFFAOYSA-N	1	0	352.438	1.873	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1	ZINC000334078816	537370242	/nfs/dbraw/zinc/37/02/42/537370242.db2.gz	LWDJNHNGTAXLFR-HOTGVXAUSA-N	1	0	372.535	1.187	20	30		FDEDRO
CN(CCC#N)C(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1	ZINC000283349915	537371613	/nfs/dbraw/zinc/37/16/13/537371613.db2.gz	RZTMBKQVJVNWDS-UHFFFAOYSA-N	1	0	369.469	1.529	20	30		FDEDRO
COCCOCCOCC[N@H+](C)CCOc1ccc(C#N)cc1OC	ZINC000276258963	537372395	/nfs/dbraw/zinc/37/23/95/537372395.db2.gz	OOMDNVGBPLTIDP-UHFFFAOYSA-N	1	0	352.431	1.557	20	30		FDEDRO
CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)C1	ZINC000283958340	537395760	/nfs/dbraw/zinc/39/57/60/537395760.db2.gz	KTXVCLZGILXVJH-RDJZCZTQSA-N	1	0	356.470	1.926	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(OCC)cc2)CC1	ZINC000283989373	537399071	/nfs/dbraw/zinc/39/90/71/537399071.db2.gz	ITXRKBJYDBZBRY-UHFFFAOYSA-N	1	0	359.470	1.858	20	30		FDEDRO
C=CCN(C(=O)NCc1ncn(C)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000364966569	537402701	/nfs/dbraw/zinc/40/27/01/537402701.db2.gz	CKQGGRJBRILJFQ-KRWDZBQOSA-N	1	0	354.458	1.787	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1	ZINC000273216054	537416311	/nfs/dbraw/zinc/41/63/11/537416311.db2.gz	CJUHCLXBVRZQHD-YPMHNXCESA-N	1	0	354.451	1.280	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC[N@@H+](C2CCC2)C1	ZINC000293349647	537423913	/nfs/dbraw/zinc/42/39/13/537423913.db2.gz	FQIPWOVLFUOMRW-CYBMUJFWSA-N	1	0	358.417	1.969	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1	ZINC000273366445	537437431	/nfs/dbraw/zinc/43/74/31/537437431.db2.gz	BGNLKBAWPPFXRL-CYBMUJFWSA-N	1	0	369.849	1.272	20	30		FDEDRO
C#CCN(C(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1)C1CC1	ZINC000287865192	537445843	/nfs/dbraw/zinc/44/58/43/537445843.db2.gz	RUQCMTCCCRODOK-UHFFFAOYSA-N	1	0	370.453	1.530	20	30		FDEDRO
CCN(CCC[NH+](C)C)C(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000365290634	537478223	/nfs/dbraw/zinc/47/82/23/537478223.db2.gz	MREMIRMAYQLQBE-SFHVURJKSA-N	1	0	356.470	1.849	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(OC(=O)NC)c2)CC1	ZINC000293473206	537480487	/nfs/dbraw/zinc/48/04/87/537480487.db2.gz	RSDDZCWYYFNNHI-UHFFFAOYSA-N	1	0	360.414	1.110	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)C(=O)Nc1ccc(C#N)cc1	ZINC000365339294	537487996	/nfs/dbraw/zinc/48/79/96/537487996.db2.gz	KSHPAWUVHSXEGS-OLMNPRSZSA-N	1	0	370.453	1.502	20	30		FDEDRO
C=CCCCCNC(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1	ZINC000288367027	537488811	/nfs/dbraw/zinc/48/88/11/537488811.db2.gz	KZNMPWSWPRWOQB-UHFFFAOYSA-N	1	0	373.497	1.732	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCCc1ccccc1OC(F)F	ZINC000276413943	537491344	/nfs/dbraw/zinc/49/13/44/537491344.db2.gz	QCCYYUHWIOERNG-UHFFFAOYSA-N	1	0	356.417	1.457	20	30		FDEDRO
C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1	ZINC000281184248	537511178	/nfs/dbraw/zinc/51/11/78/537511178.db2.gz	RPUQVRCYIRUFKS-GXSJLCMTSA-N	1	0	363.277	1.684	20	30		FDEDRO
C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1	ZINC000281417019	537538324	/nfs/dbraw/zinc/53/83/24/537538324.db2.gz	KCCBYZQOCOWAAM-CYBMUJFWSA-N	1	0	374.441	1.566	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1	ZINC000284810247	537569083	/nfs/dbraw/zinc/56/90/83/537569083.db2.gz	BCOJCHQGJUAOCI-AQNXPRMDSA-N	1	0	368.481	1.689	20	30		FDEDRO
N#CCSCC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000299516540	537592269	/nfs/dbraw/zinc/59/22/69/537592269.db2.gz	VLMHLSCAPHPJKX-KRWDZBQOSA-N	1	0	373.526	1.699	20	30		FDEDRO
COc1ccc(CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)cn1	ZINC000305020611	537598712	/nfs/dbraw/zinc/59/87/12/537598712.db2.gz	NPOSEIDHKVCVHJ-CQSZACIVSA-N	1	0	361.446	1.471	20	30		FDEDRO
COc1ccc(C(=O)NCCNC(=[NH2+])N[C@H]2CCOc3ccccc32)cc1	ZINC000304516808	537599067	/nfs/dbraw/zinc/59/90/67/537599067.db2.gz	ZLJRNBCHOALAJW-KRWDZBQOSA-N	1	0	368.437	1.853	20	30		FDEDRO
CO[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C(C)C	ZINC000289845340	537601028	/nfs/dbraw/zinc/60/10/28/537601028.db2.gz	UYCFVIBYSMWETL-GOSISDBHSA-N	1	0	374.485	1.236	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(C[NH2+]CC)CC2)c1	ZINC000237044040	537607419	/nfs/dbraw/zinc/60/74/19/537607419.db2.gz	FINCBOOPVQGYIH-UHFFFAOYSA-N	1	0	365.499	1.613	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N(C)Cc1cccc(C#N)c1	ZINC000285109193	537609189	/nfs/dbraw/zinc/60/91/89/537609189.db2.gz	QLXUTSKLUOMKDI-HOTGVXAUSA-N	1	0	356.470	1.753	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C[NH2+]C)CC2)cc1	ZINC000237351951	537624172	/nfs/dbraw/zinc/62/41/72/537624172.db2.gz	SAAXUQCJPIPQLB-UHFFFAOYSA-N	1	0	351.472	1.223	20	30		FDEDRO
CN1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1c1nc(C2CC2)no1	ZINC000329026313	537633624	/nfs/dbraw/zinc/63/36/24/537633624.db2.gz	JSJBZWCHSWQYKK-INIZCTEOSA-N	1	0	374.489	1.776	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2OCCN(CC(=O)NC(=O)NCc3cccs3)[C@@H]2C1	ZINC000329031481	537633925	/nfs/dbraw/zinc/63/39/25/537633925.db2.gz	PUTKCMSCWJGAMW-KGLIPLIRSA-N	1	0	352.460	1.524	20	30		FDEDRO
COc1ccccc1CNC(=[NH2+])NCCCN1C(=O)c2ccccc2C1=O	ZINC000285164364	537642037	/nfs/dbraw/zinc/64/20/37/537642037.db2.gz	STFLBCIWTCBAIQ-UHFFFAOYSA-N	1	0	366.421	1.786	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)N2CCCS(=O)(=O)CC2)CCN1Cc1ccccc1	ZINC000329715298	537642627	/nfs/dbraw/zinc/64/26/27/537642627.db2.gz	UULAWXLJAUFLNH-WBVHZDCISA-N	1	0	365.499	1.684	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NC[C@@H]2CCO[C@H]2c2ccnn2C)cc1	ZINC000285166767	537643328	/nfs/dbraw/zinc/64/33/28/537643328.db2.gz	SWZUZMLTVCVLBK-MAUKXSAKSA-N	1	0	357.458	1.653	20	30		FDEDRO
C[C@@H]1OCC[C@]12CN(C(=O)NC1CC[NH+](C[C@@H]3CCOC3)CC1)CCO2	ZINC000329916374	537645149	/nfs/dbraw/zinc/64/51/49/537645149.db2.gz	QFRDRVOOGKMPLC-BXWFABGCSA-N	1	0	367.490	1.281	20	30		FDEDRO
CCC(=O)N1CC[C@H](NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1	ZINC000329957506	537648002	/nfs/dbraw/zinc/64/80/02/537648002.db2.gz	LYULSWBSLBLYAZ-ZBFHGGJFSA-N	1	0	352.479	1.002	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccc(C(F)(F)F)nn2)C1	ZINC000329956844	537648012	/nfs/dbraw/zinc/64/80/12/537648012.db2.gz	PUMRPMQPTBHBCU-NSHDSACASA-N	1	0	361.368	2.178	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)CC[C@H]1CCOC1	ZINC000294057020	537649056	/nfs/dbraw/zinc/64/90/56/537649056.db2.gz	MOHRFOQEIPMGHR-GOSISDBHSA-N	1	0	365.499	1.678	20	30		FDEDRO
C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)CCc2cnccn2)CC1	ZINC000330008862	537649418	/nfs/dbraw/zinc/64/94/18/537649418.db2.gz	FTYGYJDBDWXDBH-HNNXBMFYSA-N	1	0	359.474	1.841	20	30		FDEDRO
CO[C@H]1C[C@H](c2nc(C)no2)N(CC(=O)NC2CC[NH+](C3CC3)CC2)C1	ZINC000330346551	537654095	/nfs/dbraw/zinc/65/40/95/537654095.db2.gz	GSHOGKMNPSBASY-JKSUJKDBSA-N	1	0	363.462	1.723	20	30		FDEDRO
CC(C)CNC(=O)NC(=O)CN1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000330415576	537655707	/nfs/dbraw/zinc/65/57/07/537655707.db2.gz	CYGNPWSFZROWNX-HOTGVXAUSA-N	1	0	368.522	1.494	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC(C(=O)OC(C)(C)C)CC1	ZINC000330663916	537659949	/nfs/dbraw/zinc/65/99/49/537659949.db2.gz	XWFUCJFTMKNNDJ-HNNXBMFYSA-N	1	0	368.522	1.590	20	30		FDEDRO
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)NC[C@H]1C[N@H+](C)CCN1C	ZINC000330748465	537660388	/nfs/dbraw/zinc/66/03/88/537660388.db2.gz	VPJZUIWDHUOJAK-INIZCTEOSA-N	1	0	361.490	1.705	20	30		FDEDRO
CN(C)S(=O)(=O)CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000290088024	537667944	/nfs/dbraw/zinc/66/79/44/537667944.db2.gz	HGPXUWGFEBSJHW-UHFFFAOYSA-N	1	0	350.488	1.004	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1	ZINC000291817931	537680018	/nfs/dbraw/zinc/68/00/18/537680018.db2.gz	NSIBVRQUVBKQJB-UZLBHIALSA-N	1	0	359.470	1.704	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCCNc2ccccn2)CC1	ZINC000285386358	537697516	/nfs/dbraw/zinc/69/75/16/537697516.db2.gz	WNXCYZYKDGQFFT-UHFFFAOYSA-N	1	0	359.474	1.157	20	30		FDEDRO
CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1	ZINC000285427467	537709708	/nfs/dbraw/zinc/70/97/08/537709708.db2.gz	XKXZWEABVXQUGQ-HNNXBMFYSA-N	1	0	356.470	1.972	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CC[N@@H+](CCN3C(=O)NC4(CCCC4)C3=O)C2)nc1	ZINC000292212385	537717351	/nfs/dbraw/zinc/71/73/51/537717351.db2.gz	OLDHXSLASPVHDT-OAHLLOKOSA-N	1	0	369.425	1.271	20	30		FDEDRO
COc1ccc(C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1C#N	ZINC000285606422	537736166	/nfs/dbraw/zinc/73/61/66/537736166.db2.gz	MIPDKFNJDAGUML-OAHLLOKOSA-N	1	0	351.472	1.670	20	30		FDEDRO
N#C[C@@H](C(=O)CN1CC[C@@H](O)C12CCCC2)c1nc2ccccc2c(=O)[nH]1	ZINC000292609201	537748347	/nfs/dbraw/zinc/74/83/47/537748347.db2.gz	FFCDQZOSVKNKMI-WMLDXEAASA-N	1	0	366.421	1.891	20	30		FDEDRO
N#Cc1ccnc(N2CCN(Cc3cnnn3Cc3ccccc3)CC2)c1	ZINC000292675850	537754086	/nfs/dbraw/zinc/75/40/86/537754086.db2.gz	ZUEBAAPGFDHXQO-UHFFFAOYSA-N	1	0	359.437	1.915	20	30		FDEDRO
C=CCN(CCC#N)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1	ZINC000411557135	537772661	/nfs/dbraw/zinc/77/26/61/537772661.db2.gz	YXJDMXPDJKZWGB-UHFFFAOYSA-N	1	0	358.442	1.802	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1	ZINC000366679310	537820811	/nfs/dbraw/zinc/82/08/11/537820811.db2.gz	NHIHOMWCIIWGIZ-RBUKOAKNSA-N	1	0	364.534	1.637	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1	ZINC000366721534	537831316	/nfs/dbraw/zinc/83/13/16/537831316.db2.gz	IXZRMCXTVCMBDV-DVSFIDLUSA-N	1	0	374.485	1.816	20	30		FDEDRO
COC(=O)[C@@H]1CC[C@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000376129329	537841855	/nfs/dbraw/zinc/84/18/55/537841855.db2.gz	SFIGZCMOBAAKDK-IAGOWNOFSA-N	1	0	355.438	1.860	20	30		FDEDRO
CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCSCc1ccccc1C#N	ZINC000418926967	537853086	/nfs/dbraw/zinc/85/30/86/537853086.db2.gz	SEKJRHFJXOTXOX-MRXNPFEDSA-N	1	0	362.499	1.397	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N1CCC(CCC[NH+]2CCOCC2)CC1	ZINC000409512421	537856667	/nfs/dbraw/zinc/85/66/67/537856667.db2.gz	IPKDEWXOESFPAH-UHFFFAOYSA-N	1	0	372.535	1.291	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1	ZINC000411985753	537922239	/nfs/dbraw/zinc/92/22/39/537922239.db2.gz	SQKYOOZNTYLGLS-DFYYWFRZSA-N	1	0	356.470	1.630	20	30		FDEDRO
Cc1c(C(=O)NC2=NO[C@H](C)C2)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000367281586	537952315	/nfs/dbraw/zinc/95/23/15/537952315.db2.gz	ZVMKCGLRAYQCFP-LLVKDONJSA-N	1	0	354.414	1.416	20	30		FDEDRO
CN1CCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C[C@@H]1C#N	ZINC000368401489	537980076	/nfs/dbraw/zinc/98/00/76/537980076.db2.gz	CZUTVCXMHOTAPH-ROUUACIJSA-N	1	0	356.474	1.143	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1=O	ZINC000369061283	537997841	/nfs/dbraw/zinc/99/78/41/537997841.db2.gz	CVKJJMPQPFXJCM-GOSISDBHSA-N	1	0	371.485	1.474	20	30		FDEDRO
C[C@H](NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C#N)cc1	ZINC000417106448	538003032	/nfs/dbraw/zinc/00/30/32/538003032.db2.gz	GFYPODCCQWEYFH-WFASDCNBSA-N	1	0	369.391	1.755	20	30		FDEDRO
C[C@H](CO)[N@@H+]1CCCN(C(=O)Nc2ncccc2OCCCC#N)CC1	ZINC000372729786	538014114	/nfs/dbraw/zinc/01/41/14/538014114.db2.gz	VFIPJYNSTJTTKP-OAHLLOKOSA-N	1	0	361.446	1.685	20	30		FDEDRO
N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)NCC[NH+]2CCCCC2)c1	ZINC000372802061	538030757	/nfs/dbraw/zinc/03/07/57/538030757.db2.gz	XDNCPHIAPJEPQJ-SFHVURJKSA-N	1	0	354.454	1.651	20	30		FDEDRO
CN1C(=O)C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)[C@@H]1c1ccc(F)cc1	ZINC000372801850	538030965	/nfs/dbraw/zinc/03/09/65/538030965.db2.gz	AMACQQGLBWNJGE-LPHOPBHVSA-N	1	0	371.416	1.343	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](Cc2nnc3ccccn32)C1	ZINC000372804442	538033885	/nfs/dbraw/zinc/03/38/85/538033885.db2.gz	MGAHPJHLPWGSTO-JKSUJKDBSA-N	1	0	354.458	1.744	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1	ZINC000415430126	538044539	/nfs/dbraw/zinc/04/45/39/538044539.db2.gz	SNYKRLMBHNVWRS-MRXNPFEDSA-N	1	0	358.442	1.919	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)CC[N@@H+]1C	ZINC000377982764	538054539	/nfs/dbraw/zinc/05/45/39/538054539.db2.gz	AHWNVBIIHYQTRU-KZDUYQQSSA-N	1	0	352.438	1.589	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)CC1	ZINC000369756461	538060209	/nfs/dbraw/zinc/06/02/09/538060209.db2.gz	GDDHSPXBDGVOPY-UHFFFAOYSA-N	1	0	352.438	1.773	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1	ZINC000419896818	538135892	/nfs/dbraw/zinc/13/58/92/538135892.db2.gz	QFSJAZHVQUTIKD-QZTJIDSGSA-N	1	0	359.470	1.682	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1	ZINC000419903023	538139061	/nfs/dbraw/zinc/13/90/61/538139061.db2.gz	UQTFWFFQRQBYDQ-ROUUACIJSA-N	1	0	357.454	1.458	20	30		FDEDRO
C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)C[C@H]1C[NH3+]	ZINC000423712987	538146175	/nfs/dbraw/zinc/14/61/75/538146175.db2.gz	UYGTYWWPHWAFRB-HPBDAGMYSA-N	1	0	354.454	1.195	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)C[C@@]12C(=O)Nc1ccccc12	ZINC000426979982	538152583	/nfs/dbraw/zinc/15/25/83/538152583.db2.gz	HCRZBSFQZKLHQI-YXKFXFPPSA-N	1	0	350.422	1.485	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C	ZINC000422099635	538156355	/nfs/dbraw/zinc/15/63/55/538156355.db2.gz	KSOZESFXLIAOOI-SFHVURJKSA-N	1	0	356.470	1.849	20	30		FDEDRO
C[NH2+]CCC1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)CC1	ZINC000423748918	538157826	/nfs/dbraw/zinc/15/78/26/538157826.db2.gz	ZXCDXIUXTLWLFX-MOPGFXCFSA-N	1	0	368.481	1.600	20	30		FDEDRO
COCC1(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1	ZINC000451055579	538183173	/nfs/dbraw/zinc/18/31/73/538183173.db2.gz	OOYZEWORDPKTJN-UHFFFAOYSA-N	1	0	351.472	1.431	20	30		FDEDRO
N#CCc1ccc(S(=O)(=O)NCC2CC[NH+](CCO)CC2)c(Cl)c1	ZINC000451225116	538209532	/nfs/dbraw/zinc/20/95/32/538209532.db2.gz	FDXCGJLPAAJJSS-UHFFFAOYSA-N	1	0	371.890	1.389	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2Cc3cccc(OC)c3C2)CC1	ZINC000422291834	538215487	/nfs/dbraw/zinc/21/54/87/538215487.db2.gz	FLVJTEUTXPQBGD-QGZVFWFLSA-N	1	0	371.481	1.435	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1	ZINC000424051743	538222810	/nfs/dbraw/zinc/22/28/10/538222810.db2.gz	KTKKJZNDDHGFQJ-DZKIICNBSA-N	1	0	365.499	1.596	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCC(C)(C)CC#N	ZINC000422347351	538232368	/nfs/dbraw/zinc/23/23/68/538232368.db2.gz	DJZBXGVRWMQDNB-RDJZCZTQSA-N	1	0	356.470	1.679	20	30		FDEDRO
COCC(C)(C)[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2C)CC1	ZINC000424116144	538238289	/nfs/dbraw/zinc/23/82/89/538238289.db2.gz	WWZYVWPMZVTUFZ-UHFFFAOYSA-N	1	0	354.458	1.901	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)cc1	ZINC000433424119	538240574	/nfs/dbraw/zinc/24/05/74/538240574.db2.gz	QWZFFQGYUJTOSW-HNNXBMFYSA-N	1	0	369.429	1.762	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000424178468	538249497	/nfs/dbraw/zinc/24/94/97/538249497.db2.gz	WOSQUTVDYQTNBR-KGLIPLIRSA-N	1	0	368.359	1.726	20	30		FDEDRO
C=CCN(Cc1ccccc1F)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1	ZINC000420201548	538254921	/nfs/dbraw/zinc/25/49/21/538254921.db2.gz	FLTDTWXCNQAPNB-DJIMGWMZSA-N	1	0	359.445	1.845	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1	ZINC000424416335	538293898	/nfs/dbraw/zinc/29/38/98/538293898.db2.gz	LJXXFTZKXFBGSG-KCPJHIHWSA-N	1	0	350.444	1.764	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+]C1(CO)CCCC1	ZINC000441058498	538304422	/nfs/dbraw/zinc/30/44/22/538304422.db2.gz	HDPRBCNBDXVOGG-UHFFFAOYSA-N	1	0	362.474	1.846	20	30		FDEDRO
COCCO[C@@H]1C[C@@H](CO)C[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1	ZINC000447404039	538383163	/nfs/dbraw/zinc/38/31/63/538383163.db2.gz	RJNVYQAYTNSMIH-SJLPKXTDSA-N	1	0	361.442	1.233	20	30		FDEDRO
N#Cc1ccccc1S(=O)(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000443241936	538392804	/nfs/dbraw/zinc/39/28/04/538392804.db2.gz	MHHADAONBOBQIN-LJQANCHMSA-N	1	0	371.462	1.474	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)C2CC2)cc1	ZINC000423577022	538401018	/nfs/dbraw/zinc/40/10/18/538401018.db2.gz	ZPUBTVCIRZMJLH-IRXDYDNUSA-N	1	0	352.438	1.117	20	30		FDEDRO
Cc1[nH]c(C#N)cc1C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1	ZINC000448822958	538415476	/nfs/dbraw/zinc/41/54/76/538415476.db2.gz	LGHKJJUXXFJTKR-UHFFFAOYSA-N	1	0	353.382	1.917	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1	ZINC000449915989	538428196	/nfs/dbraw/zinc/42/81/96/538428196.db2.gz	ZOEWPWMXSIZKQI-MJGOQNOKSA-N	1	0	373.497	1.867	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1	ZINC000460773338	538495139	/nfs/dbraw/zinc/49/51/39/538495139.db2.gz	JQQYUYYPYIYEIK-MSOLQXFVSA-N	1	0	374.533	1.922	20	30		FDEDRO
Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)ncc1C#N	ZINC000457673676	538506765	/nfs/dbraw/zinc/50/67/65/538506765.db2.gz	CTXRBGRRBLRRKV-RTBURBONSA-N	1	0	364.449	1.875	20	30		FDEDRO
CCOC(=O)C1(O)CC[NH+](CCC(=O)Nc2sccc2C#N)CC1	ZINC000494566295	538560181	/nfs/dbraw/zinc/56/01/81/538560181.db2.gz	PNSVHVHMAYAWKY-UHFFFAOYSA-N	1	0	351.428	1.338	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CC[C@@H]1CCCC[N@@H+]1C	ZINC000500938846	538581303	/nfs/dbraw/zinc/58/13/03/538581303.db2.gz	FUDSEGDMFDVSFT-HOTGVXAUSA-N	1	0	356.474	1.650	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1	ZINC000472284565	538618340	/nfs/dbraw/zinc/61/83/40/538618340.db2.gz	LTFNPLMDYJBUHA-LMMKCTJWSA-N	1	0	352.523	1.862	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCN(C(=O)NCC)C1)C(C)C	ZINC000472474159	538644407	/nfs/dbraw/zinc/64/44/07/538644407.db2.gz	ZLMBGEQJBRDNFU-IAGOWNOFSA-N	1	0	365.522	1.788	20	30		FDEDRO
N#Cc1ccc(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1F	ZINC000455536173	538672177	/nfs/dbraw/zinc/67/21/77/538672177.db2.gz	HVOXPFXIWIRNLO-MSOLQXFVSA-N	1	0	360.433	1.874	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000501585539	538681839	/nfs/dbraw/zinc/68/18/39/538681839.db2.gz	ACZJLKLEKYLHKD-KRWDZBQOSA-N	1	0	365.518	1.808	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)NCCCC[NH+]2CCN(CCO)CC2)c1	ZINC000456016506	538685993	/nfs/dbraw/zinc/68/59/93/538685993.db2.gz	ZRSISKGLXGOXBN-UHFFFAOYSA-N	1	0	359.474	1.378	20	30		FDEDRO
C[C@H]1CN(C(=O)c2ncc(C#N)cc2Cl)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000497474428	538760655	/nfs/dbraw/zinc/76/06/55/538760655.db2.gz	OSBFJOFMGOLLGC-XJKSGUPXSA-N	1	0	361.877	1.705	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1	ZINC000560732469	545590335	/nfs/dbraw/zinc/59/03/35/545590335.db2.gz	LWCMOHJYAHZBOG-JQHSSLGASA-N	1	0	368.481	1.918	20	30		FDEDRO
COCCNS(=O)(=O)c1ccc(C[NH2+]Cc2cc(C#N)n(C)c2)cc1	ZINC000480369025	538853059	/nfs/dbraw/zinc/85/30/59/538853059.db2.gz	FSCJWWHXIXSKSY-UHFFFAOYSA-N	1	0	362.455	1.111	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1	ZINC000481034423	538870512	/nfs/dbraw/zinc/87/05/12/538870512.db2.gz	HNKCTBFKXIEEMT-IKGGRYGDSA-N	1	0	365.518	1.711	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CCOCC1	ZINC000506483226	538875453	/nfs/dbraw/zinc/87/54/53/538875453.db2.gz	VBKQDLKZEMAQAJ-QGZVFWFLSA-N	1	0	353.463	1.475	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@H](OC)C2(CC)CC)CC1	ZINC000561413082	545837944	/nfs/dbraw/zinc/83/79/44/545837944.db2.gz	CIDVACGFHSKCNS-SJORKVTESA-N	1	0	365.518	1.853	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[C@@H]2CCO[C@H](C)C2)CC1	ZINC000561414483	545838048	/nfs/dbraw/zinc/83/80/48/545838048.db2.gz	DJHSQZHFLPLHCL-HZPDHXFCSA-N	1	0	351.491	1.465	20	30		FDEDRO
C[NH+](C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C#N)o1	ZINC000561504736	545877633	/nfs/dbraw/zinc/87/76/33/545877633.db2.gz	AAIMRIYUWDRBHI-UHFFFAOYSA-N	1	0	357.432	1.045	20	30		FDEDRO
Cc1nnc2n1C[C@H](C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)CC2	ZINC000561507075	545878495	/nfs/dbraw/zinc/87/84/95/545878495.db2.gz	REWIUVIYDXEVEW-DLBZAZTESA-N	1	0	355.442	1.245	20	30		FDEDRO
C[C@]1(CO)CCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000562092145	546029824	/nfs/dbraw/zinc/02/98/24/546029824.db2.gz	RFPYVDFIVMDPQW-MAUKXSAKSA-N	1	0	362.499	1.304	20	30		FDEDRO
N#Cc1cc(Oc2ccc(NC(=O)NC[C@H]3C[NH2+]CCO3)cc2)ccn1	ZINC000562766492	546259087	/nfs/dbraw/zinc/25/90/87/546259087.db2.gz	AJPGPGLLGNQWRR-QGZVFWFLSA-N	1	0	353.382	1.855	20	30		FDEDRO
CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H](O)CN(C)CCC#N)cc1	ZINC000563013003	546354886	/nfs/dbraw/zinc/35/48/86/546354886.db2.gz	YPCZLXSOHKHZGU-ZBFHGGJFSA-N	1	0	353.488	1.337	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H](O)CCc2ccccc2)cc1	ZINC000563138462	546420415	/nfs/dbraw/zinc/42/04/15/546420415.db2.gz	ONOZZWNEZGMNAR-SFHVURJKSA-N	1	0	358.463	1.915	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC(CC[NH3+])CC3)C2=O)cc1	ZINC000563891893	546726096	/nfs/dbraw/zinc/72/60/96/546726096.db2.gz	KGRMDZJIHUITGZ-GOSISDBHSA-N	1	0	369.469	1.824	20	30		FDEDRO
COC[C@]1(CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)CCC[NH2+]1	ZINC000564305283	546873475	/nfs/dbraw/zinc/87/34/75/546873475.db2.gz	PHYZHDVDNMTJIF-QGZVFWFLSA-N	1	0	355.402	1.029	20	30		FDEDRO
Cn1nccc1[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CCO1	ZINC000564563199	546953896	/nfs/dbraw/zinc/95/38/96/546953896.db2.gz	KRHHUTGGMHIKQD-CRAIPNDOSA-N	1	0	374.466	1.575	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@H](CO)Cc2ccc(O)cc2)cc1	ZINC000564977616	547138380	/nfs/dbraw/zinc/13/83/80/547138380.db2.gz	HOVRYIFMZVODEC-PKOBYXMFSA-N	1	0	356.422	1.391	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)ncc1C#N	ZINC000565182288	547240165	/nfs/dbraw/zinc/24/01/65/547240165.db2.gz	YCUAFDXHBHACMN-QGZVFWFLSA-N	1	0	363.421	1.591	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)ccc1Cl	ZINC000565539715	547389701	/nfs/dbraw/zinc/38/97/01/547389701.db2.gz	QEFHMHVSKAFDOX-CYBMUJFWSA-N	1	0	369.874	1.588	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O	ZINC000565770398	547473489	/nfs/dbraw/zinc/47/34/89/547473489.db2.gz	SOQRRGBJBHODFJ-AQNXPRMDSA-N	1	0	363.477	1.695	20	30		FDEDRO
C[C@@H]1CN(Cc2ccc(C(=O)N[C@@](C)(C#N)CN(C)C)cc2)C[C@H](C)O1	ZINC000565954292	547545592	/nfs/dbraw/zinc/54/55/92/547545592.db2.gz	LLDKBOZJAXOIND-YRNRMSPPSA-N	1	0	358.486	1.869	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]Cc2ccc3c(c2)C(=O)NCC3)cc1	ZINC000566132665	547618827	/nfs/dbraw/zinc/61/88/27/547618827.db2.gz	ZJMLVUUNAIAGKJ-QGZVFWFLSA-N	1	0	351.406	1.374	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c(Cl)c1	ZINC000566224639	547667798	/nfs/dbraw/zinc/66/77/98/547667798.db2.gz	WAMUCXMVGPTEIZ-ZBFHGGJFSA-N	1	0	369.874	1.729	20	30		FDEDRO
C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCCn2cnc(C#N)n2)C1	ZINC000566566513	547810832	/nfs/dbraw/zinc/81/08/32/547810832.db2.gz	BKPMSOKSQDVQCK-ZBFHGGJFSA-N	1	0	353.430	1.284	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC(Cc3cccnc3)CC2)CC1	ZINC000566754855	547876146	/nfs/dbraw/zinc/87/61/46/547876146.db2.gz	MYPHEMXLGDYQBA-UHFFFAOYSA-N	1	0	370.497	1.629	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1	ZINC000566783567	547884227	/nfs/dbraw/zinc/88/42/27/547884227.db2.gz	KFLNEGFJMJOEHT-OAHLLOKOSA-N	1	0	350.426	2.139	20	30		FDEDRO
CO[C@@H]1CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000567083648	547989183	/nfs/dbraw/zinc/98/91/83/547989183.db2.gz	XSILSCHWZUAUCS-QZTJIDSGSA-N	1	0	372.469	1.132	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)CC2)c1C#N	ZINC000567122773	548003478	/nfs/dbraw/zinc/00/34/78/548003478.db2.gz	QYZXARYXGRATHU-UHFFFAOYSA-N	1	0	373.486	1.044	20	30		FDEDRO
C=C(C)Cn1c(C(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000567436872	548115806	/nfs/dbraw/zinc/11/58/06/548115806.db2.gz	CAXFELBYYILMHF-INIZCTEOSA-N	1	0	360.506	1.720	20	30		FDEDRO
C=CCn1c([C@H]2CCCO2)nnc1N1CC[NH+](CC2CCOCC2)CC1	ZINC000567457631	548123360	/nfs/dbraw/zinc/12/33/60/548123360.db2.gz	ALLMNXGRFUFDJI-QGZVFWFLSA-N	1	0	361.490	1.864	20	30		FDEDRO
C=CCn1cc(CNC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)nn1	ZINC000567728249	548231882	/nfs/dbraw/zinc/23/18/82/548231882.db2.gz	DFLPGVHXQAYFPE-PKOBYXMFSA-N	1	0	366.469	1.880	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC(CO)([NH2+]CC2CC2)CC1	ZINC000568633552	548617604	/nfs/dbraw/zinc/61/76/04/548617604.db2.gz	IFCZOPMYXBCUEY-HNNXBMFYSA-N	1	0	356.470	1.712	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1CCN(CCOc2ccccc2Cl)CC1	ZINC000568746566	548663134	/nfs/dbraw/zinc/66/31/34/548663134.db2.gz	OVRBPPXJNUENLI-MRXNPFEDSA-N	1	0	364.877	1.884	20	30		FDEDRO
C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	ZINC000568866885	548711832	/nfs/dbraw/zinc/71/18/32/548711832.db2.gz	OEWCNUGTNMWIIT-JCAIJIATSA-N	1	0	372.469	1.606	20	30		FDEDRO
CN(CCOCc1ccc(C#N)cc1)c1cc(N2CCC[C@@H]2CO)ncn1	ZINC000569164528	548819040	/nfs/dbraw/zinc/81/90/40/548819040.db2.gz	GWTMDJGWJAGWAG-GOSISDBHSA-N	1	0	367.453	1.962	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C(C)C)[C@H]3CCOC3)CC2)o1	ZINC000569539477	548952622	/nfs/dbraw/zinc/95/26/22/548952622.db2.gz	ITZFBXGNJYWCAF-HNNXBMFYSA-N	1	0	361.446	1.003	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1	ZINC000569546331	548955588	/nfs/dbraw/zinc/95/55/88/548955588.db2.gz	ZFXDQPWWWOUTMJ-CVEARBPZSA-N	1	0	351.491	1.417	20	30		FDEDRO
CS(=O)(=O)C1(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CCCC1	ZINC000569568314	548962905	/nfs/dbraw/zinc/96/29/05/548962905.db2.gz	ACGWONZGVLPREE-MRXNPFEDSA-N	1	0	366.483	1.439	20	30		FDEDRO
C[C@@H]1COCC[C@@H]1[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000569657187	548996242	/nfs/dbraw/zinc/99/62/42/548996242.db2.gz	NXDRBBPQKIMCBS-OWCLPIDISA-N	1	0	362.499	1.472	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)C[C@H]1CCC[N@@H+]1C	ZINC000569955904	549108241	/nfs/dbraw/zinc/10/82/41/549108241.db2.gz	XXDPZLZBQWIPOZ-MRXNPFEDSA-N	1	0	354.458	1.703	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)C(=O)c1ccn(-c2cccc(C#N)c2)n1	ZINC000570094781	549157146	/nfs/dbraw/zinc/15/71/46/549157146.db2.gz	MWZXHJYJWXFAMK-UHFFFAOYSA-N	1	0	368.485	1.699	20	30		FDEDRO
N#Cc1cccnc1OC1CCC(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1	ZINC000570187989	549189408	/nfs/dbraw/zinc/18/94/08/549189408.db2.gz	MEEIMLDRQVIEFK-RYTJFDOTSA-N	1	0	355.442	1.504	20	30		FDEDRO
CS(=O)(=O)Cc1cccc(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)c1	ZINC000570201737	549194329	/nfs/dbraw/zinc/19/43/29/549194329.db2.gz	FJIHYZDZLVIPTB-SFHVURJKSA-N	1	0	374.462	1.632	20	30		FDEDRO
N#Cc1ccc2c(c1)N(C(=O)C(=O)N[C@H]1CC[N@@H+](C3CCCC3)C1)CC2	ZINC000570289449	549226794	/nfs/dbraw/zinc/22/67/94/549226794.db2.gz	VTKTVDIRUJCHBT-INIZCTEOSA-N	1	0	352.438	1.580	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@](C)(OC)C2(C)C)CC1	ZINC000570953289	549473180	/nfs/dbraw/zinc/47/31/80/549473180.db2.gz	YQWPWMAIOBVCNS-KXBFYZLASA-N	1	0	351.491	1.463	20	30		FDEDRO
N#Cc1csc(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)n1	ZINC000571008651	549491595	/nfs/dbraw/zinc/49/15/95/549491595.db2.gz	CPIZAWHQUVSUHO-LLVKDONJSA-N	1	0	368.509	1.877	20	30		FDEDRO
CO[C@@H]1C[C@H]([NH2+]CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C12CCC2	ZINC000571024118	549496333	/nfs/dbraw/zinc/49/63/33/549496333.db2.gz	WIAQTQOTCXQFEB-JKSUJKDBSA-N	1	0	373.457	1.051	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CCN(C(=O)N[C@@H]3CCc4[nH]cnc4C3)C2)nc1	ZINC000571140340	549538573	/nfs/dbraw/zinc/53/85/73/549538573.db2.gz	BXUMIEAZPSCANR-KGLIPLIRSA-N	1	0	352.398	1.397	20	30		FDEDRO
CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(C)nn1CCC#N	ZINC000571490613	549663192	/nfs/dbraw/zinc/66/31/92/549663192.db2.gz	LYZSRSKGJGOCHZ-HNNXBMFYSA-N	1	0	360.462	1.424	20	30		FDEDRO
C=CCC[C@H](NC(=O)C(=O)N1CCN(CCOCC)CC1)c1ccccc1	ZINC000571713483	549740413	/nfs/dbraw/zinc/74/04/13/549740413.db2.gz	RHGCUYZYQMGRMM-IBGZPJMESA-N	1	0	373.497	1.991	20	30		FDEDRO
N#Cc1c(CN2C(=O)N[C@@]3(CCCC[C@@H]3C[NH3+])C2=O)cn2ccccc12	ZINC000571878965	549789831	/nfs/dbraw/zinc/78/98/31/549789831.db2.gz	XAYINEXOCKARRO-AUUYWEPGSA-N	1	0	351.410	1.750	20	30		FDEDRO
C=CCNC(=O)CN1CCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1	ZINC000572123229	549847307	/nfs/dbraw/zinc/84/73/07/549847307.db2.gz	FRPZETHSALYXGJ-SFHVURJKSA-N	1	0	364.534	1.511	20	30		FDEDRO
C[C@H]1C[C@@H](N2CCOCC2)CN1S(=O)(=O)Cc1ccc(CC#N)cc1	ZINC000572239304	549871848	/nfs/dbraw/zinc/87/18/48/549871848.db2.gz	UQJDQZTYKICQSD-MAUKXSAKSA-N	1	0	363.483	1.377	20	30		FDEDRO
C=CCSc1ccccc1NC(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1	ZINC000572379696	549901943	/nfs/dbraw/zinc/90/19/43/549901943.db2.gz	NUDLVXITQUZULW-KGLIPLIRSA-N	1	0	360.483	1.147	20	30		FDEDRO
C=CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CC[NH+](CC)CC1	ZINC000572709578	549976417	/nfs/dbraw/zinc/97/64/17/549976417.db2.gz	HZJBHMARMGSNRQ-UHFFFAOYSA-N	1	0	365.441	1.922	20	30		FDEDRO
CC[NH2+]CCCNC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000572739084	549984660	/nfs/dbraw/zinc/98/46/60/549984660.db2.gz	PWKJBNFXXIRXRR-UHFFFAOYSA-N	1	0	366.469	1.938	20	30		FDEDRO
C[C@]1(CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCC[NH2+]C1	ZINC000572856787	550011847	/nfs/dbraw/zinc/01/18/47/550011847.db2.gz	OHEAYUMGIXNOJM-PXNSSMCTSA-N	1	0	369.469	1.743	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1	ZINC000573359636	550120617	/nfs/dbraw/zinc/12/06/17/550120617.db2.gz	ZGAAIGNYVYJNEH-GPANFISMSA-N	1	0	362.440	1.588	20	30		FDEDRO
C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCC[NH2+]C1	ZINC000573549007	550161637	/nfs/dbraw/zinc/16/16/37/550161637.db2.gz	UQSJHDBPXSGKPO-BMGDILEWSA-N	1	0	369.469	1.346	20	30		FDEDRO
C[C@H](NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H]1CCC[NH2+]C1	ZINC000573549010	550161838	/nfs/dbraw/zinc/16/18/38/550161838.db2.gz	UQSJHDBPXSGKPO-WBAXXEDZSA-N	1	0	369.469	1.346	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1	ZINC000573638796	550182202	/nfs/dbraw/zinc/18/22/02/550182202.db2.gz	SAWVLEMAQSCACE-GOSISDBHSA-N	1	0	359.470	1.294	20	30		FDEDRO
CS(=O)(=O)Cc1ccccc1C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1	ZINC000573712735	550199031	/nfs/dbraw/zinc/19/90/31/550199031.db2.gz	JAXVMJQZWOWMNP-GOSISDBHSA-N	1	0	374.462	1.632	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1	ZINC000573935730	550234693	/nfs/dbraw/zinc/23/46/93/550234693.db2.gz	OAVIUYRVSJBKDA-FUHWJXTLSA-N	1	0	364.515	1.714	20	30		FDEDRO
CN(C)C1(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)Cc2ccccc2C1	ZINC000574191542	550273801	/nfs/dbraw/zinc/27/38/01/550273801.db2.gz	FBBLALIJHBMHRF-FQEVSTJZSA-N	1	0	365.477	1.987	20	30		FDEDRO
COC(=O)c1cc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1C	ZINC000574320129	550295257	/nfs/dbraw/zinc/29/52/57/550295257.db2.gz	JSMQOSLCBCKDKB-QGZVFWFLSA-N	1	0	366.421	1.969	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2ccc(F)cc2F)CC1	ZINC000574420201	550311845	/nfs/dbraw/zinc/31/18/45/550311845.db2.gz	YSWUJLQTTQLSOT-UHFFFAOYSA-N	1	0	351.397	1.390	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CCC(=O)Nc1cc(F)cc(F)c1	ZINC000575229232	550446795	/nfs/dbraw/zinc/44/67/95/550446795.db2.gz	FOCPSUKYJWYEIK-UHFFFAOYSA-N	1	0	362.384	2.035	20	30		FDEDRO
CC(C)[N@H+](C)CC1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1	ZINC000576189607	550520824	/nfs/dbraw/zinc/52/08/24/550520824.db2.gz	NZBNPLTUKVKRJK-UHFFFAOYSA-N	1	0	364.515	1.779	20	30		FDEDRO
CN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C[C@@H]1CCC[N@@H+]1C	ZINC000576385235	550542963	/nfs/dbraw/zinc/54/29/63/550542963.db2.gz	IAKQHLNIHSBCSP-KRWDZBQOSA-N	1	0	352.442	1.708	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2cccc(-n3cncn3)c2)cc1	ZINC000576630558	550569910	/nfs/dbraw/zinc/56/99/10/550569910.db2.gz	RNQNXQDZESHYIZ-IBGZPJMESA-N	1	0	363.421	1.863	20	30		FDEDRO
C=CC(C)(C)C[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C	ZINC000576697618	550576462	/nfs/dbraw/zinc/57/64/62/550576462.db2.gz	CDQNRCHAVUEZOQ-UHFFFAOYSA-N	1	0	374.528	1.512	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCc2ccc(CC#N)cc2)CC1=O	ZINC000576827162	550590052	/nfs/dbraw/zinc/59/00/52/550590052.db2.gz	WDBOSAIICFYIKN-MOPGFXCFSA-N	1	0	368.481	1.702	20	30		FDEDRO
N#CCNC(=O)CNC(=O)NCc1ccccc1C[NH+]1CCCCCC1	ZINC000577283609	550640470	/nfs/dbraw/zinc/64/04/70/550640470.db2.gz	DOQLPZJBCWBBBG-UHFFFAOYSA-N	1	0	357.458	1.502	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)NCCn1cnc(C#N)n1)c1ccc(Cl)cc1	ZINC000577403578	550652749	/nfs/dbraw/zinc/65/27/49/550652749.db2.gz	MTYSNGYCAYQFDU-AWEZNQCLSA-N	1	0	361.837	1.405	20	30		FDEDRO
C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+](C)CCOCc1ccc(C#N)cc1	ZINC000577557870	550669139	/nfs/dbraw/zinc/66/91/39/550669139.db2.gz	YHMOBEYTAGGANP-HNNXBMFYSA-N	1	0	372.469	1.119	20	30		FDEDRO
Cn1ccnc1[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CCO1	ZINC000578316610	550750911	/nfs/dbraw/zinc/75/09/11/550750911.db2.gz	BCMDHWMJSUIVGG-AOIWGVFYSA-N	1	0	370.453	1.736	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C	ZINC000578975349	550821223	/nfs/dbraw/zinc/82/12/23/550821223.db2.gz	QLJWKGJMCNPSEI-KRWDZBQOSA-N	1	0	356.470	1.753	20	30		FDEDRO
Cc1ccc2nc(C[N@@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)cc(=O)n2c1	ZINC000579066584	550831357	/nfs/dbraw/zinc/83/13/57/550831357.db2.gz	NCIOCGWJKOAYQL-KRWDZBQOSA-N	1	0	361.405	1.923	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+][C@H]3CCCN(C(=O)N4CCCC4)C3)cnc12	ZINC000579354804	550864701	/nfs/dbraw/zinc/86/47/01/550864701.db2.gz	MHCOAKHPAJJUSY-INIZCTEOSA-N	1	0	353.430	1.371	20	30		FDEDRO
C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N1CCC(C#N)CC1)C1CC1	ZINC000579632172	550894348	/nfs/dbraw/zinc/89/43/48/550894348.db2.gz	NSDZWGTZIRPEQA-LJQANCHMSA-N	1	0	368.481	1.775	20	30		FDEDRO
COCC[C@@]1([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCOC1	ZINC000579671668	550897592	/nfs/dbraw/zinc/89/75/92/550897592.db2.gz	QNTQYBNTKSVRGK-LJQANCHMSA-N	1	0	369.425	1.468	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)cc1	ZINC000580304730	550964282	/nfs/dbraw/zinc/96/42/82/550964282.db2.gz	VKXKNOZIXGPADB-SFHVURJKSA-N	1	0	369.421	1.785	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]CCC(=O)N2CCCCCC2)cc1	ZINC000580435404	550982198	/nfs/dbraw/zinc/98/21/98/550982198.db2.gz	YNPNHOHAILSDRU-SFHVURJKSA-N	1	0	359.470	1.875	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H](C[NH3+])C2)cc1	ZINC000580529151	550991458	/nfs/dbraw/zinc/99/14/58/550991458.db2.gz	KCCUKLTZZVXBFY-AWEZNQCLSA-N	1	0	366.487	1.696	20	30		FDEDRO
CCOCCCNC(=O)C1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1	ZINC000580564670	550995642	/nfs/dbraw/zinc/99/56/42/550995642.db2.gz	FCOIAJABGLYNHX-UHFFFAOYSA-N	1	0	370.457	1.356	20	30		FDEDRO
N#CCC(=O)N1CC[NH+](CCCCCn2nnc(-c3ccccc3)n2)CC1	ZINC000580960140	551037502	/nfs/dbraw/zinc/03/75/02/551037502.db2.gz	FSVCCXFFAYEDBZ-UHFFFAOYSA-N	1	0	367.457	1.568	20	30		FDEDRO
C[C@H](C(=O)N1CCN(c2cc[nH+]c3ccccc32)CC1)n1cnc(C#N)n1	ZINC000580959354	551037517	/nfs/dbraw/zinc/03/75/17/551037517.db2.gz	CBQRNCKATGAHTA-CQSZACIVSA-N	1	0	361.409	1.608	20	30		FDEDRO
CCC[NH+]1CCC(N(C)C(=O)C(=O)NCc2ccc(CC#N)cc2)CC1	ZINC000581309928	551074766	/nfs/dbraw/zinc/07/47/66/551074766.db2.gz	ZRLLGTHTXWSINJ-UHFFFAOYSA-N	1	0	356.470	1.702	20	30		FDEDRO
C=CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1	ZINC000581695191	551123200	/nfs/dbraw/zinc/12/32/00/551123200.db2.gz	XQRSLGOLMXASFK-KRWDZBQOSA-N	1	0	370.505	1.081	20	30		FDEDRO
C[C@@]1(CNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CCC[NH2+]C1	ZINC000581777464	551134670	/nfs/dbraw/zinc/13/46/70/551134670.db2.gz	KMIRJUVDZSHYLQ-UYAOXDASSA-N	1	0	355.486	1.796	20	30		FDEDRO
CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)N2CCC(C#N)CC2)cc1	ZINC000582017084	551163799	/nfs/dbraw/zinc/16/37/99/551163799.db2.gz	ZMQSEQJFXZEDPI-UHFFFAOYSA-N	1	0	356.470	1.907	20	30		FDEDRO
CN1CC[NH2+]C[C@@H]1CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1	ZINC000582051909	551168477	/nfs/dbraw/zinc/16/84/77/551168477.db2.gz	SZXKFBOEHMTDNM-LXPRWKDFSA-N	1	0	371.485	1.451	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1	ZINC000582301469	551204427	/nfs/dbraw/zinc/20/44/27/551204427.db2.gz	HWMUIFRGKSILCO-NZSAHSFTSA-N	1	0	360.454	1.598	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1	ZINC000582301468	551204520	/nfs/dbraw/zinc/20/45/20/551204520.db2.gz	HWMUIFRGKSILCO-NEWSRXKRSA-N	1	0	360.454	1.598	20	30		FDEDRO
[NH3+]C[C@H]1CCCN(C(=O)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000582596144	551246138	/nfs/dbraw/zinc/24/61/38/551246138.db2.gz	FKIJIKDQBGEYLD-CQSZACIVSA-N	1	0	367.371	1.370	20	30		FDEDRO
Cc1cccc(OC[C@H](O)C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)c1	ZINC000582726294	551260098	/nfs/dbraw/zinc/26/00/98/551260098.db2.gz	VZBSSDXLDPPBTC-QGZVFWFLSA-N	1	0	374.462	1.670	20	30		FDEDRO
CN1CC[NH+](CC2(C)CCN(C(=O)N=c3ccn(CCC#N)[nH]3)CC2)CC1	ZINC000583623716	551378326	/nfs/dbraw/zinc/37/83/26/551378326.db2.gz	ZHSQOCBBLMWEBZ-UHFFFAOYSA-N	1	0	373.505	1.678	20	30		FDEDRO
C=CCCCNC(=O)C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000583637309	551380690	/nfs/dbraw/zinc/38/06/90/551380690.db2.gz	NDULEUDELWZRFY-HOTGVXAUSA-N	1	0	351.491	1.417	20	30		FDEDRO
N#Cc1cccc(-c2csc(NC(=O)C(=O)N3CCC[C@@H](C[NH3+])C3)n2)c1	ZINC000583681430	551386343	/nfs/dbraw/zinc/38/63/43/551386343.db2.gz	KMCWPCXZKZZZCK-ZDUSSCGKSA-N	1	0	369.450	1.818	20	30		FDEDRO
CNC(=O)C[C@@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccccc1	ZINC000583864793	551412597	/nfs/dbraw/zinc/41/25/97/551412597.db2.gz	VIKYINCGXPFUOH-AZUAARDMSA-N	1	0	367.449	1.959	20	30		FDEDRO
C=CCOc1ccc(CNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1	ZINC000583929409	551421835	/nfs/dbraw/zinc/42/18/35/551421835.db2.gz	HPOXZTRONLSDCI-ZWKOTPCHSA-N	1	0	355.442	1.621	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)n1	ZINC000584528128	551512144	/nfs/dbraw/zinc/51/21/44/551512144.db2.gz	BUQOGKAQOJTGMO-AWEZNQCLSA-N	1	0	369.450	1.907	20	30		FDEDRO
C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C#N)c(F)c1	ZINC000584751372	551541404	/nfs/dbraw/zinc/54/14/04/551541404.db2.gz	WEVBGVQHFOCIOW-QGZVFWFLSA-N	1	0	368.412	1.925	20	30		FDEDRO
N#CCCOCC[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1	ZINC000584792352	551549630	/nfs/dbraw/zinc/54/96/30/551549630.db2.gz	PRMVNABFDCLIAD-RDTXWAMCSA-N	1	0	354.414	1.810	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1	ZINC000585692187	551582630	/nfs/dbraw/zinc/58/26/30/551582630.db2.gz	QRQLHNJCNGEHJW-UHFFFAOYSA-N	1	0	364.449	1.895	20	30		FDEDRO
N#CC1CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1	ZINC000585729607	551588940	/nfs/dbraw/zinc/58/89/40/551588940.db2.gz	NDBKCZYTEVAGSQ-UHFFFAOYSA-N	1	0	364.515	1.226	20	30		FDEDRO
CCC[NH+]1CCC(CNC(=O)C(=O)NCc2ccc(C#N)cc2F)CC1	ZINC000585775248	551597441	/nfs/dbraw/zinc/59/74/41/551597441.db2.gz	VYNTWDPGRJLWSM-UHFFFAOYSA-N	1	0	360.433	1.552	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2CC(N)=O)c(OC)c1	ZINC000588900174	551697828	/nfs/dbraw/zinc/69/78/28/551697828.db2.gz	KVBFTCDKXDYGTO-IRXDYDNUSA-N	1	0	362.470	1.893	20	30		FDEDRO
COC(=O)C[C@](C)([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccncc1	ZINC000589164661	551714450	/nfs/dbraw/zinc/71/44/50/551714450.db2.gz	OJYKGTIVSTUJGO-XLIONFOSSA-N	1	0	369.421	1.761	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1F	ZINC000589392699	551726993	/nfs/dbraw/zinc/72/69/93/551726993.db2.gz	AJXFVNKTUTZGMW-UHFFFAOYSA-N	1	0	353.357	1.380	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccc(C#N)c(F)c3)CC2)C1	ZINC000589894224	551749699	/nfs/dbraw/zinc/74/96/99/551749699.db2.gz	LISMCPGFWULVEB-OAHLLOKOSA-N	1	0	366.462	1.098	20	30		FDEDRO
CC[NH+](CC)CCOCCNC(=O)N1CCN(c2cnccc2C#N)CC1	ZINC000589919019	551751307	/nfs/dbraw/zinc/75/13/07/551751307.db2.gz	HJBKOICUYYPMMT-UHFFFAOYSA-N	1	0	374.489	1.143	20	30		FDEDRO
CN1CC[NH+](CC2CN(C(=O)CSCc3ccc(C#N)cc3)C2)CC1	ZINC000590399118	551780374	/nfs/dbraw/zinc/78/03/74/551780374.db2.gz	HCZFBQDZWMQHNO-UHFFFAOYSA-N	1	0	358.511	1.497	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1ccccc1-n1ncc(C#N)c1N	ZINC000590544355	551790171	/nfs/dbraw/zinc/79/01/71/551790171.db2.gz	TYORHFIMGBOIER-ZDUSSCGKSA-N	1	0	354.414	1.233	20	30		FDEDRO
C[NH+](C)[C@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H]1O	ZINC000590599764	551796921	/nfs/dbraw/zinc/79/69/21/551796921.db2.gz	OLSORSCBCNRNQT-GJZGRUSLSA-N	1	0	362.499	1.434	20	30		FDEDRO
C[C@@](CO)([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1cccc(O)c1	ZINC000590742165	551810132	/nfs/dbraw/zinc/81/01/32/551810132.db2.gz	JSPKLTFTGZRSDJ-QUCCMNQESA-N	1	0	356.422	1.695	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cccc(Br)c3C#N)C[C@@H]21	ZINC000590762686	551814164	/nfs/dbraw/zinc/81/41/64/551814164.db2.gz	UVJOYPUFDBIWRW-MFKMUULPSA-N	1	0	370.272	1.645	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1	ZINC000590975243	551831518	/nfs/dbraw/zinc/83/15/18/551831518.db2.gz	REEDRWCJBIQIQW-UHFFFAOYSA-N	1	0	363.421	1.260	20	30		FDEDRO
Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)N(C)C[C@H](C)C#N)CC1	ZINC000590976840	551831737	/nfs/dbraw/zinc/83/17/37/551831737.db2.gz	KZQKRGYTRAQITJ-MRXNPFEDSA-N	1	0	356.470	1.647	20	30		FDEDRO
N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H]3C[NH2+]CCO3)cn2)cc1	ZINC000591277805	551855470	/nfs/dbraw/zinc/85/54/70/551855470.db2.gz	ZYMYFQRWOFZGGT-INIZCTEOSA-N	1	0	353.382	1.855	20	30		FDEDRO
CC[C@@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC[C@@H]1[NH3+]	ZINC000591304379	551859423	/nfs/dbraw/zinc/85/94/23/551859423.db2.gz	WGXWPWFWDYUMFA-NEPJUHHUSA-N	1	0	366.368	1.684	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1	ZINC000591304533	551859481	/nfs/dbraw/zinc/85/94/81/551859481.db2.gz	IUWNOPBCNPLHKA-WMLDXEAASA-N	1	0	356.426	1.518	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1	ZINC000591308451	551860060	/nfs/dbraw/zinc/86/00/60/551860060.db2.gz	SMHAWVYNUKAUGY-KGLIPLIRSA-N	1	0	358.417	1.874	20	30		FDEDRO
CN(C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)C1CC([NH3+])C1	ZINC000591308720	551860270	/nfs/dbraw/zinc/86/02/70/551860270.db2.gz	QKRUQAYWABYPMG-UHFFFAOYSA-N	1	0	365.393	1.632	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H]3CCCC[NH2+]3)C2=O)cc1	ZINC000591357121	551865706	/nfs/dbraw/zinc/86/57/06/551865706.db2.gz	MBVUHVXGFFHDMN-SJORKVTESA-N	1	0	355.442	1.100	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC[NH2+]1	ZINC000591361116	551866243	/nfs/dbraw/zinc/86/62/43/551866243.db2.gz	DBDUZOSXOUMENP-TZMCWYRMSA-N	1	0	358.446	1.396	20	30		FDEDRO
C[C@@H](CCCC[NH3+])NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000591361539	551866437	/nfs/dbraw/zinc/86/64/37/551866437.db2.gz	ZOCDGESIOULUBK-ZDUSSCGKSA-N	1	0	360.462	1.773	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCc2ccc(C#N)c(Cl)c2)[C@@H](C)C[N@@H+]1CCO	ZINC000591395921	551867508	/nfs/dbraw/zinc/86/75/08/551867508.db2.gz	FSBWXFYTRVJQPC-OLZOCXBDSA-N	1	0	350.850	1.808	20	30		FDEDRO
CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000591471879	551873388	/nfs/dbraw/zinc/87/33/88/551873388.db2.gz	WJHJZQMMCPTIHW-ZWKOTPCHSA-N	1	0	369.469	1.395	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cc1	ZINC000591756532	551906288	/nfs/dbraw/zinc/90/62/88/551906288.db2.gz	AXRVAUBKDYECRO-DOTOQJQBSA-N	1	0	366.508	1.976	20	30		FDEDRO
CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)[C@]12CCCO2	ZINC000591760129	551906935	/nfs/dbraw/zinc/90/69/35/551906935.db2.gz	OTGUQHQCBQXQIK-IJXRJRJASA-N	1	0	360.454	1.809	20	30		FDEDRO
C[NH+](C)CCCOc1ccc(CNC(=O)N2CC[C@@](O)(CC#N)C2)cc1	ZINC000591954802	551920133	/nfs/dbraw/zinc/92/01/33/551920133.db2.gz	ULRGCDZHLCEUDV-IBGZPJMESA-N	1	0	360.458	1.577	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CCNC(=O)N2CC[C@](O)(CC#N)C2)cc1	ZINC000591954373	551920150	/nfs/dbraw/zinc/92/01/50/551920150.db2.gz	PWQYNQSAYMOAEX-LJQANCHMSA-N	1	0	360.458	1.230	20	30		FDEDRO
N#CC[C@@]1(O)CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1	ZINC000591959282	551920773	/nfs/dbraw/zinc/92/07/73/551920773.db2.gz	ZRARRZRZUUONCB-GOSISDBHSA-N	1	0	366.531	1.798	20	30		FDEDRO
C[NH+](C)C1CCN(CCNS(=O)(=O)Cc2ccc(CC#N)cc2)CC1	ZINC000592034727	551929611	/nfs/dbraw/zinc/92/96/11/551929611.db2.gz	OXBFYPSWMBUQCO-UHFFFAOYSA-N	1	0	364.515	1.198	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1	ZINC000592070215	551935755	/nfs/dbraw/zinc/93/57/55/551935755.db2.gz	AVFDJQQNSWAJTG-UHFFFAOYSA-N	1	0	351.472	1.317	20	30		FDEDRO
CCO[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)[C@@H]1SC	ZINC000592173406	551953574	/nfs/dbraw/zinc/95/35/74/551953574.db2.gz	SDMODRDAUIMXPS-OAGGEKHMSA-N	1	0	354.497	1.831	20	30		FDEDRO
CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1	ZINC000592187046	551955531	/nfs/dbraw/zinc/95/55/31/551955531.db2.gz	YYGSUFNLOLDEQR-INIZCTEOSA-N	1	0	368.359	1.887	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)NC[C@H]1CCCC[NH2+]1	ZINC000592367599	551985033	/nfs/dbraw/zinc/98/50/33/551985033.db2.gz	VDNMOJHQGILHOJ-SNVBAGLBSA-N	1	0	358.261	1.741	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@@H](CO)c1cccc(Br)c1	ZINC000592431547	551994500	/nfs/dbraw/zinc/99/45/00/551994500.db2.gz	DLIPRANMFGCLTO-GJZGRUSLSA-N	1	0	356.264	1.278	20	30		FDEDRO
N#CCc1ccc(CS(=O)(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1	ZINC000592393181	551988686	/nfs/dbraw/zinc/98/86/86/551988686.db2.gz	ROGCWBUKOKWOQZ-KRWDZBQOSA-N	1	0	363.483	1.270	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@H](CO)c1ccc(Br)cc1	ZINC000592432521	551994530	/nfs/dbraw/zinc/99/45/30/551994530.db2.gz	OJNBHOPPZNCNKB-LSDHHAIUSA-N	1	0	356.264	1.278	20	30		FDEDRO
CN(Cc1cnc2c(C#N)cnn2c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000592513103	552003938	/nfs/dbraw/zinc/00/39/38/552003938.db2.gz	WGSDEMGSKGHYHR-GOSISDBHSA-N	1	0	353.474	1.201	20	30		FDEDRO
Cn1nc(C2CC2)nc1CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000592593681	552011779	/nfs/dbraw/zinc/01/17/79/552011779.db2.gz	HQSPTCUXJMBHQH-UHFFFAOYSA-N	1	0	366.469	1.697	20	30		FDEDRO
N#CC[C@]1(O)CCN(C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)C1	ZINC000592842906	552034778	/nfs/dbraw/zinc/03/47/78/552034778.db2.gz	LMFQRMQJGZJYGR-FQEVSTJZSA-N	1	0	357.454	1.382	20	30		FDEDRO
N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2CCc3cncn3C2)CC1	ZINC000592947119	552047019	/nfs/dbraw/zinc/04/70/19/552047019.db2.gz	QZXSVADJJRHBGR-APWZRJJASA-N	1	0	367.428	1.994	20	30		FDEDRO
C[NH+]1CCC(n2ccc(=NC(=O)N3Cc4cccc(C#N)c4C3)[nH]2)CC1	ZINC000593195189	552071772	/nfs/dbraw/zinc/07/17/72/552071772.db2.gz	LNRWUEBKFUFQRY-UHFFFAOYSA-N	1	0	350.426	2.569	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)N1Cc2cccc(C#N)c2C1)[NH+]1CCN(C)CC1	ZINC000593302598	552085894	/nfs/dbraw/zinc/08/58/94/552085894.db2.gz	FEPYPQNZAFMSJW-LJQANCHMSA-N	1	0	355.486	1.855	20	30		FDEDRO
COc1c(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cnn1C	ZINC000593347907	552093736	/nfs/dbraw/zinc/09/37/36/552093736.db2.gz	IHBZWVQFHBKIFB-UHFFFAOYSA-N	1	0	353.426	1.695	20	30		FDEDRO
CC(C)C[N@H+](C)CCCNC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000593423034	552106467	/nfs/dbraw/zinc/10/64/67/552106467.db2.gz	QGPQJBFSAMTESU-UHFFFAOYSA-N	1	0	358.490	1.763	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@@]3(O)CCSC3)CC2)c1	ZINC000593512798	552119880	/nfs/dbraw/zinc/11/98/80/552119880.db2.gz	TULDJEQMYBGISY-IBGZPJMESA-N	1	0	374.510	1.690	20	30		FDEDRO
C[C@@H]1C(=O)N(C)CN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593517499	552121596	/nfs/dbraw/zinc/12/15/96/552121596.db2.gz	RSNFIPGAXBYIAM-CQSZACIVSA-N	1	0	355.442	1.352	20	30		FDEDRO
CC[C@H](C#N)C(=O)N(C)CCN(CC[NH+]1CCCC1)C(=O)[C@H](C#N)CC	ZINC000593705347	552178190	/nfs/dbraw/zinc/17/81/90/552178190.db2.gz	ZCYTYGOAEDATKV-SJORKVTESA-N	1	0	361.490	1.469	20	30		FDEDRO
Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)ccc1C#N	ZINC000593731820	552185856	/nfs/dbraw/zinc/18/58/56/552185856.db2.gz	FHNQOIGPCHJCJZ-JQHSSLGASA-N	1	0	363.483	1.916	20	30		FDEDRO
N#Cc1cccc(CS(=O)(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1	ZINC000593733394	552186218	/nfs/dbraw/zinc/18/62/18/552186218.db2.gz	GJKMRWBXGRGPOY-KSZLIROESA-N	1	0	363.483	1.606	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000593738219	552187559	/nfs/dbraw/zinc/18/75/59/552187559.db2.gz	XONHATNIGYDQQP-YESZJQIVSA-N	1	0	363.483	1.774	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1	ZINC000593767844	552194454	/nfs/dbraw/zinc/19/44/54/552194454.db2.gz	VVAMPUNOEWHDFB-JZXOWHBKSA-N	1	0	370.453	1.436	20	30		FDEDRO
C[NH+](C)CCN1CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC1=O	ZINC000593784103	552196582	/nfs/dbraw/zinc/19/65/82/552196582.db2.gz	IJKWLHKEYRFQRH-UHFFFAOYSA-N	1	0	369.252	1.711	20	30		FDEDRO
COC(=O)c1cc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)on1	ZINC000593885349	552217292	/nfs/dbraw/zinc/21/72/92/552217292.db2.gz	CQRUSEXUKSQIFU-UHFFFAOYSA-N	1	0	368.393	1.727	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc(C(N)=O)c[nH]3)CC2)c1	ZINC000593886927	552217632	/nfs/dbraw/zinc/21/76/32/552217632.db2.gz	TZRGMBYTEQXXEU-UHFFFAOYSA-N	1	0	351.410	1.380	20	30		FDEDRO
Cc1cc2c(cc1C#N)[nH]nc2NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C	ZINC000593916317	552225219	/nfs/dbraw/zinc/22/52/19/552225219.db2.gz	HLPUUMRPKDCOPG-FRIZHTMISA-N	1	0	353.426	2.214	20	30		FDEDRO
C[C@H]1COCC[N@@H+]1C1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1	ZINC000593988987	552235543	/nfs/dbraw/zinc/23/55/43/552235543.db2.gz	VOUKMTFSUIRSLI-YOEHRIQHSA-N	1	0	374.510	1.910	20	30		FDEDRO
C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1	ZINC000594103055	552249334	/nfs/dbraw/zinc/24/93/34/552249334.db2.gz	UUOWUNCHROWPFC-FZNQNYSPSA-N	1	0	363.483	1.834	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C	ZINC000594262521	552273007	/nfs/dbraw/zinc/27/30/07/552273007.db2.gz	QENOAAMXUQJYNB-LPHOPBHVSA-N	1	0	370.497	1.796	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000594283549	552277365	/nfs/dbraw/zinc/27/73/65/552277365.db2.gz	JNISWJIMYNEYDN-JKSUJKDBSA-N	1	0	359.478	1.454	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)n(CCC#N)n1	ZINC000594325412	552288425	/nfs/dbraw/zinc/28/84/25/552288425.db2.gz	FFDUXJHDODJFOM-HUUCEWRRSA-N	1	0	358.446	1.177	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)Cc3cncc(O)c3)CC2)c1	ZINC000594421565	552307578	/nfs/dbraw/zinc/30/75/78/552307578.db2.gz	ZYLQWWZTKVQTGF-UHFFFAOYSA-N	1	0	350.422	1.982	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1	ZINC000594434029	552309168	/nfs/dbraw/zinc/30/91/68/552309168.db2.gz	JIOPMUCSWIGFIP-IBGZPJMESA-N	1	0	370.497	1.995	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc(-n2cccn2)cc1	ZINC000594435235	552309234	/nfs/dbraw/zinc/30/92/34/552309234.db2.gz	CFCXBGRXDJBVPH-INIZCTEOSA-N	1	0	354.414	1.338	20	30		FDEDRO
CCOC(=O)c1ccc(N2CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC2)nc1	ZINC000594436949	552309572	/nfs/dbraw/zinc/30/95/72/552309572.db2.gz	RGVMYBVCEWZJPX-MRXNPFEDSA-N	1	0	373.457	1.318	20	30		FDEDRO
C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@@H]([NH3+])CCCCC#N	ZINC000594439176	552310273	/nfs/dbraw/zinc/31/02/73/552310273.db2.gz	SYGWXBBDHGYTLC-SJORKVTESA-N	1	0	358.490	1.120	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1	ZINC000594447236	552312195	/nfs/dbraw/zinc/31/21/95/552312195.db2.gz	WALYQDKNFBIYGS-JKSUJKDBSA-N	1	0	370.519	1.251	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]Cc2cnc(C(F)(F)F)nc2)cc1	ZINC000594717921	552362967	/nfs/dbraw/zinc/36/29/67/552362967.db2.gz	HZUSXNFGOFQVSB-CYBMUJFWSA-N	1	0	352.316	1.897	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1	ZINC000594793073	552386404	/nfs/dbraw/zinc/38/64/04/552386404.db2.gz	UGHPMKWUARQZBA-LBPRGKRZSA-N	1	0	366.443	1.865	20	30		FDEDRO
C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000594803932	552390946	/nfs/dbraw/zinc/39/09/46/552390946.db2.gz	RLVNLNKSHHGHMH-ZDUSSCGKSA-N	1	0	372.922	1.762	20	30		FDEDRO
CC[NH+](CC)CCS(=O)(=O)NC1(c2cccc(C#N)c2)CCOCC1	ZINC000594864467	552413839	/nfs/dbraw/zinc/41/38/39/552413839.db2.gz	QAMAUJDJRXXFNM-UHFFFAOYSA-N	1	0	365.499	1.825	20	30		FDEDRO
Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC1(C#N)CCCCC1	ZINC000594883742	552420071	/nfs/dbraw/zinc/42/00/71/552420071.db2.gz	GCOXZUFETRTSJT-UHFFFAOYSA-N	1	0	367.519	1.814	20	30		FDEDRO
CN(CCC[NH+](C)C)CCNC(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000595125858	552459633	/nfs/dbraw/zinc/45/96/33/552459633.db2.gz	RCOQTGNKIWHYPM-UHFFFAOYSA-N	1	0	365.865	1.150	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000595128467	552460194	/nfs/dbraw/zinc/46/01/94/552460194.db2.gz	ATDPGJNQZAKZTE-GOSISDBHSA-N	1	0	372.469	1.086	20	30		FDEDRO
CCN(C(=O)C(=O)N1CC[C@](C)(C#N)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000595130924	552461473	/nfs/dbraw/zinc/46/14/73/552461473.db2.gz	ZZCGJWWAZADFPG-WIYYLYMNSA-N	1	0	368.481	1.872	20	30		FDEDRO
C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2CC[C@](C)(C#N)C2)cc1	ZINC000595208869	552491072	/nfs/dbraw/zinc/49/10/72/552491072.db2.gz	ZHPLGHMNYSGKKN-LJQANCHMSA-N	1	0	358.442	1.718	20	30		FDEDRO
Cc1cc(=NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[nH]n1CCC#N	ZINC000595230989	552499475	/nfs/dbraw/zinc/49/94/75/552499475.db2.gz	MCOBOJKKLGCHLV-IAGOWNOFSA-N	1	0	370.432	2.512	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)Nc2sccc2C#N)CCO1	ZINC000595234881	552500779	/nfs/dbraw/zinc/50/07/79/552500779.db2.gz	IBUIEIBNINNAFU-ZDUSSCGKSA-N	1	0	350.444	1.127	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)cc1	ZINC000595238963	552502376	/nfs/dbraw/zinc/50/23/76/552502376.db2.gz	JLVRWBITFSYPRD-SFHVURJKSA-N	1	0	364.405	1.474	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)c(F)c1	ZINC000595240870	552502750	/nfs/dbraw/zinc/50/27/50/552502750.db2.gz	WLBPPDYGTGBXET-HNNXBMFYSA-N	1	0	358.417	1.874	20	30		FDEDRO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1	ZINC000595243919	552504050	/nfs/dbraw/zinc/50/40/50/552504050.db2.gz	ZOMOBEPJGZNBFE-YNEHKIRRSA-N	1	0	364.446	1.775	20	30		FDEDRO
C[C@@H](CC[NH3+])NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595266105	552508168	/nfs/dbraw/zinc/50/81/68/552508168.db2.gz	ZNDHSFNECCNFLY-AWEZNQCLSA-N	1	0	367.457	1.517	20	30		FDEDRO
N#Cc1cccnc1OC1CCC(NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1	ZINC000595274488	552510081	/nfs/dbraw/zinc/51/00/81/552510081.db2.gz	YCIMXVKEATVVSM-QDIHITRGSA-N	1	0	361.421	1.724	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccc(C#N)cc1	ZINC000595279827	552511078	/nfs/dbraw/zinc/51/10/78/552511078.db2.gz	WGZUBTFYWNEVDP-DNVCBOLYSA-N	1	0	368.481	1.974	20	30		FDEDRO
C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1	ZINC000595282492	552511512	/nfs/dbraw/zinc/51/15/12/552511512.db2.gz	OVWNWVQQIAWRID-AWEZNQCLSA-N	1	0	350.422	1.566	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(CC(=O)Nc3cnccn3)CC2)cc1	ZINC000595288723	552512871	/nfs/dbraw/zinc/51/28/71/552512871.db2.gz	KWVJMDPDGQQHCE-UHFFFAOYSA-N	1	0	350.426	1.495	20	30		FDEDRO
CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)CCc2ccc(C#N)cc2)C1	ZINC000595308890	552519390	/nfs/dbraw/zinc/51/93/90/552519390.db2.gz	NVXPBQWWDRLAEA-SFHVURJKSA-N	1	0	357.454	1.834	20	30		FDEDRO
CN1CCN(C(=O)CC2CC[NH+](CCc3ccc(C#N)cc3)CC2)CC1	ZINC000595374958	552540731	/nfs/dbraw/zinc/54/07/31/552540731.db2.gz	IMQQIBSBLLKRCD-UHFFFAOYSA-N	1	0	354.498	1.977	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCCC2)CCO1	ZINC000595403371	552550957	/nfs/dbraw/zinc/55/09/57/552550957.db2.gz	CWYKSDNONLPHKK-MRXNPFEDSA-N	1	0	357.520	1.833	20	30		FDEDRO
C[NH+](C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)c1cncc(C#N)c1	ZINC000595404056	552551249	/nfs/dbraw/zinc/55/12/49/552551249.db2.gz	QZJXOVHABSWWDL-HNNXBMFYSA-N	1	0	364.471	1.217	20	30		FDEDRO
Cc1oc(NC(=O)CN2CCC[C@@H]([NH+]3CCOCC3)CC2)c(C#N)c1C	ZINC000595470566	552567854	/nfs/dbraw/zinc/56/78/54/552567854.db2.gz	PIAATAQNLXAZJE-MRXNPFEDSA-N	1	0	360.458	1.893	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+]C1(CCO)CCCC1	ZINC000595509841	552575686	/nfs/dbraw/zinc/57/56/86/552575686.db2.gz	XBJLXJRGEPBDOO-UHFFFAOYSA-N	1	0	353.426	1.967	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(c3ccsc3C#N)CC2)C1	ZINC000595515632	552576766	/nfs/dbraw/zinc/57/67/66/552576766.db2.gz	LZDDVWFMCHCGKC-CQSZACIVSA-N	1	0	363.487	1.172	20	30		FDEDRO
COc1ccc(C[NH+]2CCC(NC(=O)N3CCOCC3)CC2)cc1C#N	ZINC000595550926	552582570	/nfs/dbraw/zinc/58/25/70/552582570.db2.gz	FGXCGJIAISRXLA-UHFFFAOYSA-N	1	0	358.442	1.573	20	30		FDEDRO
N#Cc1cccc(C2([NH2+]CC(=O)NC(=O)NC3CCCC3)CCOCC2)c1	ZINC000595765648	552612891	/nfs/dbraw/zinc/61/28/91/552612891.db2.gz	RHUDODSDVFHHKZ-UHFFFAOYSA-N	1	0	370.453	1.922	20	30		FDEDRO
N#Cc1cccc(C2([NH2+]C[C@H](O)COC[C@@H]3CCCO3)CCOCC2)c1	ZINC000595772552	552613566	/nfs/dbraw/zinc/61/35/66/552613566.db2.gz	IOVKLIFVAXQHHG-OALUTQOASA-N	1	0	360.454	1.710	20	30		FDEDRO
CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)N1CCN(c2ccsc2C#N)CC1	ZINC000595936506	552635616	/nfs/dbraw/zinc/63/56/16/552635616.db2.gz	ASUZETBXJXNELB-NRXGSXMXSA-N	1	0	374.510	1.801	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1	ZINC000595942485	552636409	/nfs/dbraw/zinc/63/64/09/552636409.db2.gz	ILKRATSOKVBXDO-CVEARBPZSA-N	1	0	364.471	1.440	20	30		FDEDRO
CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1	ZINC000595948517	552637188	/nfs/dbraw/zinc/63/71/88/552637188.db2.gz	MCSYLUYYVLIMKK-OALUTQOASA-N	1	0	357.502	1.330	20	30		FDEDRO
CC(C)(C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)n1ccc(N)n1	ZINC000595959693	552638689	/nfs/dbraw/zinc/63/86/89/552638689.db2.gz	OVEQXOSJOGHPRD-UHFFFAOYSA-N	1	0	366.469	1.853	20	30		FDEDRO
C=CC[C@]1(C(=O)Nc2cc(C(=O)OC)cc(S(C)(=O)=O)c2)CCC[NH2+]1	ZINC000595965782	552639486	/nfs/dbraw/zinc/63/94/86/552639486.db2.gz	PKIGJHWLBADVKH-QGZVFWFLSA-N	1	0	366.439	1.514	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CCN(C(=O)[C@@H]4CCC[NH2+]4)CC3)n[nH]2)cc1	ZINC000595969919	552640298	/nfs/dbraw/zinc/64/02/98/552640298.db2.gz	ISEKLBRECZIAIP-INIZCTEOSA-N	1	0	350.426	1.349	20	30		FDEDRO
COc1cc2cc[nH+]c(NCCCc3[nH]nc(N)c3C#N)c2cc1OC	ZINC000596059589	552651066	/nfs/dbraw/zinc/65/10/66/552651066.db2.gz	RMCPOFJPVRWORW-UHFFFAOYSA-N	1	0	352.398	1.896	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]CCN2C[C@@H]3CCCCN3C2=O)cc1	ZINC000596064984	552651725	/nfs/dbraw/zinc/65/17/25/552651725.db2.gz	MEZFFPJEYIIPCT-IRXDYDNUSA-N	1	0	358.442	1.178	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(Nc2nc3ncccc3cc2C#N)CC1	ZINC000596119955	552657303	/nfs/dbraw/zinc/65/73/03/552657303.db2.gz	DUPZVXZOQAXLHG-UHFFFAOYSA-N	1	0	352.442	1.856	20	30		FDEDRO
C[C@]1(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC[NH2+]C1	ZINC000596128852	552658399	/nfs/dbraw/zinc/65/83/99/552658399.db2.gz	PAKPPWIVSKCAAW-IBGZPJMESA-N	1	0	365.393	1.552	20	30		FDEDRO
CCc1nc(C#N)cc(N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)n1	ZINC000596166179	552661252	/nfs/dbraw/zinc/66/12/52/552661252.db2.gz	QJRMKJLKKSAYRD-WMZOPIPTSA-N	1	0	351.454	2.206	20	30		FDEDRO
CN(CCC[NH+](C)C)CCNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1	ZINC000596424265	552677750	/nfs/dbraw/zinc/67/77/50/552677750.db2.gz	FCVRRMONNFODGD-UHFFFAOYSA-N	1	0	356.430	2.310	20	30		FDEDRO
Cn1nc(C(F)(F)F)cc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000596542721	552687534	/nfs/dbraw/zinc/68/75/34/552687534.db2.gz	PKVMEWNKNCMHBY-UHFFFAOYSA-N	1	0	374.367	1.071	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1F	ZINC000596569057	552689951	/nfs/dbraw/zinc/68/99/51/552689951.db2.gz	DPXKGSXWDVYDGM-CQSZACIVSA-N	1	0	358.417	1.874	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)NCCc3ccc(C#N)cc3)C2)CC1	ZINC000596674647	552699986	/nfs/dbraw/zinc/69/99/86/552699986.db2.gz	SZHCJCMPLQSXRC-IBGZPJMESA-N	1	0	355.486	1.522	20	30		FDEDRO
Cc1cc(=NC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)[nH]n1CCC#N	ZINC000596817037	552714132	/nfs/dbraw/zinc/71/41/32/552714132.db2.gz	SVDRFWFYTURVNZ-QGZVFWFLSA-N	1	0	352.442	2.501	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC2(C#N)CCCCC2)CC1	ZINC000596862600	552718969	/nfs/dbraw/zinc/71/89/69/552718969.db2.gz	WLHXYMXTWMPXNJ-MRXNPFEDSA-N	1	0	361.490	1.408	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC[C@H](C)[NH+](C)C)cc1	ZINC000596877453	552720471	/nfs/dbraw/zinc/72/04/71/552720471.db2.gz	SPXHHPQAZOSKSE-QWHCGFSZSA-N	1	0	352.460	1.834	20	30		FDEDRO
Cc1cc(NC(=O)NCCN(C)CCC[NH+](C)C)c(C#N)cc1N(C)C	ZINC000596907155	552723583	/nfs/dbraw/zinc/72/35/83/552723583.db2.gz	BLOGBGXQZGXTGL-UHFFFAOYSA-N	1	0	360.506	1.938	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@H](CS(C)(=O)=O)c1ccccc1	ZINC000596926888	552725060	/nfs/dbraw/zinc/72/50/60/552725060.db2.gz	VGRRFYZKERXPGP-QGZVFWFLSA-N	1	0	365.499	1.509	20	30		FDEDRO
CCn1ccc(=NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)[nH]1	ZINC000597026089	552736249	/nfs/dbraw/zinc/73/62/49/552736249.db2.gz	LGBMTRXHVRHALE-UHFFFAOYSA-N	1	0	352.442	2.561	20	30		FDEDRO
C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)CC1(C#N)CCOCC1	ZINC000597053454	552740127	/nfs/dbraw/zinc/74/01/27/552740127.db2.gz	RNKCDJTTYIJLEG-UHFFFAOYSA-N	1	0	353.463	1.429	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(C#N)c1	ZINC000597254240	552765847	/nfs/dbraw/zinc/76/58/47/552765847.db2.gz	HNGXKQRXTKHTME-KSSFIOAISA-N	1	0	370.453	1.105	20	30		FDEDRO
C[C@@H](C#N)CN(C)c1nnc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1C[C@H]1CCCO1	ZINC000597337405	552776756	/nfs/dbraw/zinc/77/67/56/552776756.db2.gz	LDCCRJHJNMNKIC-HZMVEIRTSA-N	1	0	374.489	1.589	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)C(=O)NCC3=CCCC3)CC2)c1	ZINC000597352296	552778466	/nfs/dbraw/zinc/77/84/66/552778466.db2.gz	CQQLXYXOVKPGAT-UHFFFAOYSA-N	1	0	366.465	1.865	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@H]3CC34CC[NH2+]CC4)C2=O)cc1	ZINC000597442964	552789948	/nfs/dbraw/zinc/78/99/48/552789948.db2.gz	ZOPWTKSSPXPKNT-SJORKVTESA-N	1	0	367.453	1.100	20	30		FDEDRO
N#CC1(CC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CCOCC1	ZINC000597498416	552796021	/nfs/dbraw/zinc/79/60/21/552796021.db2.gz	UZWBIDUPRXAFPY-SFHVURJKSA-N	1	0	357.454	1.580	20	30		FDEDRO
N#CC1(CC(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)CCOCC1	ZINC000597497575	552796100	/nfs/dbraw/zinc/79/61/00/552796100.db2.gz	JJYZTKBUHDKKFY-IBGZPJMESA-N	1	0	371.481	1.970	20	30		FDEDRO
C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1	ZINC000597573642	552806563	/nfs/dbraw/zinc/80/65/63/552806563.db2.gz	HMCSIFDZDJEQHS-JXFKEZNVSA-N	1	0	374.460	1.439	20	30		FDEDRO
C[C@@H](CC#N)C(=O)NCCN(CC[NH+]1CCCCC1)C(=O)[C@@H](C)CC#N	ZINC000597643773	552817035	/nfs/dbraw/zinc/81/70/35/552817035.db2.gz	RWBSWIYDXLPHTB-IRXDYDNUSA-N	1	0	361.490	1.517	20	30		FDEDRO
C[NH+](C)CCCOc1cnccc1CNC(=O)CC1(C#N)CCOCC1	ZINC000597656979	552818583	/nfs/dbraw/zinc/81/85/83/552818583.db2.gz	PVDUKOXHODRDBN-UHFFFAOYSA-N	1	0	360.458	1.739	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCN(C)CCC[NH+](C)C	ZINC000597990172	552853062	/nfs/dbraw/zinc/85/30/62/552853062.db2.gz	PTUAHZGGXNRSCL-UHFFFAOYSA-N	1	0	361.490	1.208	20	30		FDEDRO
CC[C@@H](C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)[NH+](C)C	ZINC000598155770	552869733	/nfs/dbraw/zinc/86/97/33/552869733.db2.gz	DOKMUBFNXYBGEZ-SFHVURJKSA-N	1	0	366.469	1.937	20	30		FDEDRO
C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000598599291	552913500	/nfs/dbraw/zinc/91/35/00/552913500.db2.gz	BFKKGDXWJRHRJT-UKRRQHHQSA-N	1	0	353.488	1.888	20	30		FDEDRO
COC(=O)c1ccsc1N1CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1=O	ZINC000598721235	552928071	/nfs/dbraw/zinc/92/80/71/552928071.db2.gz	UCTZXOTVSHWMJA-AAEUAGOBSA-N	1	0	365.455	1.530	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1	ZINC000598723304	552928308	/nfs/dbraw/zinc/92/83/08/552928308.db2.gz	GEDYYQAQRSXGGD-MRXNPFEDSA-N	1	0	351.472	1.617	20	30		FDEDRO
CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]C[C@H](O)CC(C)(C)C#N)s1	ZINC000598729088	552928485	/nfs/dbraw/zinc/92/84/85/552928485.db2.gz	ZENCVXDPUXFFDE-IJLUTSLNSA-N	1	0	353.492	1.954	20	30		FDEDRO
C[NH+](C)CCCC(C)(C)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1	ZINC000598739544	552930016	/nfs/dbraw/zinc/93/00/16/552930016.db2.gz	ZQLSAFKIHWNXIA-UHFFFAOYSA-N	1	0	366.487	1.073	20	30		FDEDRO
COC(=O)CCNC(=O)CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1	ZINC000599005846	552957088	/nfs/dbraw/zinc/95/70/88/552957088.db2.gz	ZIOTVYNMPXTOLV-UHFFFAOYSA-N	1	0	358.442	1.186	20	30		FDEDRO
C[C@@H]1CC[C@H](NS(=O)(=O)c2cccc(Br)c2C#N)C[NH2+]1	ZINC000599106607	552968739	/nfs/dbraw/zinc/96/87/39/552968739.db2.gz	WQEKWHPYLQIOFU-ZJUUUORDSA-N	1	0	358.261	1.740	20	30		FDEDRO
C[N@@H+]1CCCC[C@H](CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000599157318	552975951	/nfs/dbraw/zinc/97/59/51/552975951.db2.gz	SJSMPFHIBRRRIH-IAGOWNOFSA-N	1	0	357.458	1.848	20	30		FDEDRO
Cn1c(-c2cn[nH]c2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000599205420	552985194	/nfs/dbraw/zinc/98/51/94/552985194.db2.gz	GZJRUSBUMPHSBG-UHFFFAOYSA-N	1	0	362.441	1.789	20	30		FDEDRO
COC(=O)C[C@H]1CSCC[N@@H+]1C[C@H](O)COc1ccccc1C#N	ZINC000599308878	553022339	/nfs/dbraw/zinc/02/23/39/553022339.db2.gz	CIOJSGPZXSIKMV-GJZGRUSLSA-N	1	0	350.440	1.278	20	30		FDEDRO
CN(CC[N@H+](C)C[C@H](O)COc1ccccc1C#N)C1CC[NH+](C)CC1	ZINC000599336099	553030549	/nfs/dbraw/zinc/03/05/49/553030549.db2.gz	GFEWVOTZVQGHNJ-IBGZPJMESA-N	1	0	360.502	1.256	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000599347835	553033516	/nfs/dbraw/zinc/03/35/16/553033516.db2.gz	BNRNIKOUNGAYQB-HIFRSBDPSA-N	1	0	351.472	1.642	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)CCOCC1	ZINC000599385624	553042320	/nfs/dbraw/zinc/04/23/20/553042320.db2.gz	KLXJYHCCXDJHIK-IHRRRGAJSA-N	1	0	350.381	1.693	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)CCOCC1	ZINC000599396080	553044822	/nfs/dbraw/zinc/04/48/22/553044822.db2.gz	PHGQZMCGBYWUFT-QZTJIDSGSA-N	1	0	351.491	1.244	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1	ZINC000599398392	553045603	/nfs/dbraw/zinc/04/56/03/553045603.db2.gz	WXNOSNMZVKWPRI-GOSISDBHSA-N	1	0	354.454	1.650	20	30		FDEDRO
COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2C[C@H](O)COc2ccccc2C#N)O1	ZINC000599404625	553048449	/nfs/dbraw/zinc/04/84/49/553048449.db2.gz	MSOBDQQRJHIAHJ-DRACIFKTSA-N	1	0	374.437	1.481	20	30		FDEDRO
COC(=O)[C@@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@H]1C1CC1	ZINC000599453665	553060846	/nfs/dbraw/zinc/06/08/46/553060846.db2.gz	XIWMKSXKKPYACQ-ZWKOTPCHSA-N	1	0	366.417	1.417	20	30		FDEDRO
Cc1cnc(OC2CC[NH+](C[C@@H](O)CC3(C#N)CCOCC3)CC2)nc1	ZINC000599454116	553061143	/nfs/dbraw/zinc/06/11/43/553061143.db2.gz	HPGDXMZJVZTASV-INIZCTEOSA-N	1	0	360.458	1.700	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1	ZINC000599488737	553071349	/nfs/dbraw/zinc/07/13/49/553071349.db2.gz	CXXGCJYDAYTZDH-KRWDZBQOSA-N	1	0	364.534	1.332	20	30		FDEDRO
Cc1cc(=NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)[nH]n1CCC#N	ZINC000599613944	553103605	/nfs/dbraw/zinc/10/36/05/553103605.db2.gz	RRBIZSNBEBLLBW-NWDGAFQWSA-N	1	0	358.368	2.096	20	30		FDEDRO
COC(=O)[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2C#N)[C@@H]2CCC[C@@H]21	ZINC000599644795	553111529	/nfs/dbraw/zinc/11/15/29/553111529.db2.gz	CBVIGMGYNBTRDF-BSDSXHPESA-N	1	0	358.438	1.962	20	30		FDEDRO
N#Cc1ccc(CC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cn1	ZINC000599673512	553119072	/nfs/dbraw/zinc/11/90/72/553119072.db2.gz	RSJWUBGDJTWPIH-LJQANCHMSA-N	1	0	350.422	1.031	20	30		FDEDRO
COC(=O)[C@@H]1C[C@@H](C)[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@@H](C)C1	ZINC000599691121	553122888	/nfs/dbraw/zinc/12/28/88/553122888.db2.gz	OPYIOAMKZKDGNG-MUJYYYPQSA-N	1	0	368.433	1.948	20	30		FDEDRO
C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[NH2+]1	ZINC000599895811	553170242	/nfs/dbraw/zinc/17/02/42/553170242.db2.gz	LERRIRUKTOEAAO-CABZTGNLSA-N	1	0	354.332	1.772	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1	ZINC000599898978	553170544	/nfs/dbraw/zinc/17/05/44/553170544.db2.gz	CRKAOQHQPVLCCI-KDURUIRLSA-N	1	0	357.458	1.511	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1	ZINC000599900013	553170965	/nfs/dbraw/zinc/17/09/65/553170965.db2.gz	PBMUBTMSGPXAJV-TZMCWYRMSA-N	1	0	368.359	1.791	20	30		FDEDRO
N#CCc1cccc2c1CCN(C(=O)C(=O)Nc1cccc3c1CC[NH2+]C3)C2	ZINC000599903624	553171702	/nfs/dbraw/zinc/17/17/02/553171702.db2.gz	HRDWVOFHXNOCFC-UHFFFAOYSA-N	1	0	374.444	1.922	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N[C@@H]3CC[NH2+]C34CCC4)CC2)nc1	ZINC000599909042	553172801	/nfs/dbraw/zinc/17/28/01/553172801.db2.gz	VRDMZECZNKEPCF-MRXNPFEDSA-N	1	0	354.458	1.506	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)c(F)cc1C#N	ZINC000599933807	553176616	/nfs/dbraw/zinc/17/66/16/553176616.db2.gz	GMABYJFKXDINQP-UHFFFAOYSA-N	1	0	374.416	1.731	20	30		FDEDRO
N#CCNC(=O)CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1	ZINC000599934589	553176802	/nfs/dbraw/zinc/17/68/02/553176802.db2.gz	RPDQULAQQYQIMP-RBUKOAKNSA-N	1	0	368.481	1.681	20	30		FDEDRO
N#Cc1cccc(NC(=O)C2CCN(C(=O)NCCOCCC[NH3+])CC2)c1	ZINC000599935024	553177244	/nfs/dbraw/zinc/17/72/44/553177244.db2.gz	VGWSCARNRPBUKJ-UHFFFAOYSA-N	1	0	373.457	1.284	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)cc1C#N	ZINC000599938915	553178906	/nfs/dbraw/zinc/17/89/06/553178906.db2.gz	JZMDBIGTSAAFGR-CHWSQXEVSA-N	1	0	360.389	1.387	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c(F)cc1C#N	ZINC000599944632	553181119	/nfs/dbraw/zinc/18/11/19/553181119.db2.gz	UIWUCUSPEJVRTG-CYBMUJFWSA-N	1	0	360.389	1.245	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)c(F)cc1C#N	ZINC000599983287	553193115	/nfs/dbraw/zinc/19/31/15/553193115.db2.gz	RYOJRIUCKVLNTM-UHFFFAOYSA-N	1	0	374.416	1.635	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)cc1	ZINC000600228495	553232928	/nfs/dbraw/zinc/23/29/28/553232928.db2.gz	BXZRDIZDNFGZJL-GOSISDBHSA-N	1	0	354.454	1.811	20	30		FDEDRO
N#Cc1ccccc1COc1cccc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)c1	ZINC000600534471	553282023	/nfs/dbraw/zinc/28/20/23/553282023.db2.gz	NOTVDPBOSSYTOT-LJQANCHMSA-N	1	0	365.433	1.934	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]CCc1nnc2n1CCCCC2	ZINC000600716776	553306154	/nfs/dbraw/zinc/30/61/54/553306154.db2.gz	HAAZCGKCSOOGOA-MRXNPFEDSA-N	1	0	355.442	1.448	20	30		FDEDRO
CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)CC2(C#N)CC2)cc1	ZINC000600721023	553307122	/nfs/dbraw/zinc/30/71/22/553307122.db2.gz	JZHLEILYBAITGE-INIZCTEOSA-N	1	0	365.499	1.860	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCNC(=O)c1ccc(Cl)cc1	ZINC000600720613	553307193	/nfs/dbraw/zinc/30/71/93/553307193.db2.gz	ZUIHKFAQJGJNPF-KRWDZBQOSA-N	1	0	373.840	1.971	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]Cc2cccc(OCCN3CCOCC3)c2)CC1	ZINC000600723158	553307509	/nfs/dbraw/zinc/30/75/09/553307509.db2.gz	WDZAGXBFCWKDOK-GOSISDBHSA-N	1	0	359.470	1.542	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@H]2CCN(c3ccccc3F)C2=O)CCOCC1	ZINC000600723294	553307642	/nfs/dbraw/zinc/30/76/42/553307642.db2.gz	BZWFTKVCQWQTKB-HOCLYGCPSA-N	1	0	361.417	1.592	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]CCCNC(=O)c2ccc(F)cc2)CCOCC1	ZINC000600728338	553308360	/nfs/dbraw/zinc/30/83/60/553308360.db2.gz	TUEULBWKWSVITD-KRWDZBQOSA-N	1	0	363.433	1.607	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]Cc1cccc(N2CCOCC2)n1	ZINC000600735594	553309368	/nfs/dbraw/zinc/30/93/68/553309368.db2.gz	OACGCPOOLYBMSD-SFHVURJKSA-N	1	0	368.437	1.319	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)CCOCC1	ZINC000600740766	553309759	/nfs/dbraw/zinc/30/97/59/553309759.db2.gz	BDECEKQESUGYAM-CVEARBPZSA-N	1	0	368.424	1.777	20	30		FDEDRO
Cc1cc(C[NH2+]C[C@@H](O)COc2ccccc2C#N)nc(N2CCCC2)n1	ZINC000600739478	553309779	/nfs/dbraw/zinc/30/97/79/553309779.db2.gz	PYMFHWFQCCTIQD-GOSISDBHSA-N	1	0	367.453	1.786	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]CCN1C[C@@H]2CCCCN2C1=O	ZINC000600744325	553309995	/nfs/dbraw/zinc/30/99/95/553309995.db2.gz	MKHINSDWPDYFGS-DLBZAZTESA-N	1	0	358.442	1.178	20	30		FDEDRO
CN1C(=O)c2ccccc2[C@H]1C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1	ZINC000600756773	553311961	/nfs/dbraw/zinc/31/19/61/553311961.db2.gz	PJIDOKFOJBAJDH-OXJNMPFZSA-N	1	0	365.433	1.909	20	30		FDEDRO
C[C@@H](C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)n1cnc(C#N)n1	ZINC000600827887	553319643	/nfs/dbraw/zinc/31/96/43/553319643.db2.gz	ZMCHOKWGLNSGRR-NSHDSACASA-N	1	0	358.368	1.586	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2ccccc2CC#N)c1	ZINC000601032704	553341796	/nfs/dbraw/zinc/34/17/96/553341796.db2.gz	IIYTWGMHZCOQNG-UHFFFAOYSA-N	1	0	364.449	1.974	20	30		FDEDRO
C[NH+](C)CCn1cc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cn1	ZINC000601037948	553342746	/nfs/dbraw/zinc/34/27/46/553342746.db2.gz	GCTWPYHZYWVVSQ-UHFFFAOYSA-N	1	0	367.453	2.000	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1C	ZINC000601419467	553400686	/nfs/dbraw/zinc/40/06/86/553400686.db2.gz	JWSVXDBFONIQQA-OKZBNKHCSA-N	1	0	354.454	1.900	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC([N@@H+]2CCCOCC2)CC1	ZINC000601439113	553405647	/nfs/dbraw/zinc/40/56/47/553405647.db2.gz	BYISOYGUGZOQPX-UHFFFAOYSA-N	1	0	363.483	1.742	20	30		FDEDRO
C[NH+]1CCN(CCCS(=O)(=O)NC(C)(C)c2cccc(C#N)c2)CC1	ZINC000601465624	553413447	/nfs/dbraw/zinc/41/34/47/553413447.db2.gz	WNJKSVTUPRPZLD-UHFFFAOYSA-N	1	0	364.515	1.350	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1	ZINC000601520710	553427194	/nfs/dbraw/zinc/42/71/94/553427194.db2.gz	JALYROABKGGOCJ-QGZVFWFLSA-N	1	0	350.488	1.639	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1CCCN(c2cc[nH+]cc2)CC1	ZINC000601521736	553427547	/nfs/dbraw/zinc/42/75/47/553427547.db2.gz	QBXRJOQXTFDSIF-UHFFFAOYSA-N	1	0	372.450	1.863	20	30		FDEDRO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000601575946	553438442	/nfs/dbraw/zinc/43/84/42/553438442.db2.gz	SMQZXUFVGAPLOC-MELADBBJSA-N	1	0	358.467	1.982	20	30		FDEDRO
COc1cc(C[NH+](C)C)ccc1NC(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000601620772	553446774	/nfs/dbraw/zinc/44/67/74/553446774.db2.gz	KUJPOIXGJWCLSD-UHFFFAOYSA-N	1	0	366.421	1.997	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCO[C@H](C(F)F)CC2)CC1	ZINC000601978533	553498685	/nfs/dbraw/zinc/49/86/85/553498685.db2.gz	YQDSWOBRNDBJMT-CABCVRRESA-N	1	0	358.433	1.035	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1	ZINC000602051221	553508374	/nfs/dbraw/zinc/50/83/74/553508374.db2.gz	CTKQWPCOINNVJU-AWEZNQCLSA-N	1	0	369.425	1.797	20	30		FDEDRO
COCCOCC[N@H+](C)CCC(=O)N1CCN(c2ccccc2C#N)CC1	ZINC000602088069	553517061	/nfs/dbraw/zinc/51/70/61/553517061.db2.gz	CYPINHUWMCEWSO-UHFFFAOYSA-N	1	0	374.485	1.192	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1	ZINC000602175425	553533866	/nfs/dbraw/zinc/53/38/66/553533866.db2.gz	XMXACQIIQHVMJO-CALCHBBNSA-N	1	0	366.469	1.893	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc[nH]c1=O	ZINC000602378928	553572663	/nfs/dbraw/zinc/57/26/63/553572663.db2.gz	GJAWGTORXLNGHS-UHFFFAOYSA-N	1	0	353.426	1.932	20	30		FDEDRO
COc1ccc(C(=O)NCCN2CC[NH+](C[C@H](C)CCC#N)CC2)cc1	ZINC000602469648	553588093	/nfs/dbraw/zinc/58/80/93/553588093.db2.gz	VEBZCDPGZPMAPW-QGZVFWFLSA-N	1	0	358.486	1.982	20	30		FDEDRO
N#CC1(CNC(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)CCCCC1	ZINC000602523498	553598170	/nfs/dbraw/zinc/59/81/70/553598170.db2.gz	YWDDLVPBELQARN-LLVKDONJSA-N	1	0	352.389	1.954	20	30		FDEDRO
CNS(=O)(=O)c1cccc(C[NH2+][C@H](C)CC2(C#N)CCOCC2)c1	ZINC000602530523	553599886	/nfs/dbraw/zinc/59/98/86/553599886.db2.gz	RKWHFXDEQQZQCS-CQSZACIVSA-N	1	0	351.472	1.783	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1	ZINC000602574295	553607043	/nfs/dbraw/zinc/60/70/43/553607043.db2.gz	IELKMEYETMEPQT-KRWDZBQOSA-N	1	0	373.453	1.563	20	30		FDEDRO
C=C(C)C[C@H](NC(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F)C(=O)OC	ZINC000602598660	553609891	/nfs/dbraw/zinc/60/98/91/553609891.db2.gz	CKJGZSCQIOJBCO-NSHDSACASA-N	1	0	371.388	1.378	20	30		FDEDRO
N#CCCN1CCN(C(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)CC1	ZINC000602602941	553611066	/nfs/dbraw/zinc/61/10/66/553611066.db2.gz	FFWUHHNIACWRGA-UHFFFAOYSA-N	1	0	369.513	1.428	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1	ZINC000602723643	553627949	/nfs/dbraw/zinc/62/79/49/553627949.db2.gz	ORCJWCNEAJHOKV-HUUCEWRRSA-N	1	0	355.446	1.392	20	30		FDEDRO
C[C@H]1C[NH+](CCCCN2C(=O)c3ccccc3C2=O)C[C@H](C)N1CC#N	ZINC000602857337	553652512	/nfs/dbraw/zinc/65/25/12/553652512.db2.gz	QVVQJIJNWRTQKN-HOTGVXAUSA-N	1	0	354.454	1.981	20	30		FDEDRO
C[NH+](C)C[C@]1(O)CCCN(CC(=O)Nc2cc(Cl)ccc2C#N)C1	ZINC000602890765	553661763	/nfs/dbraw/zinc/66/17/63/553661763.db2.gz	JCDJEPPXDLPHRB-QGZVFWFLSA-N	1	0	350.850	1.539	20	30		FDEDRO
N#Cc1ccccc1NC1CC[NH+](CCn2nc3ccccn3c2=O)CC1	ZINC000602893209	553663261	/nfs/dbraw/zinc/66/32/61/553663261.db2.gz	CKJAXYVDLHNANP-UHFFFAOYSA-N	1	0	362.437	1.944	20	30		FDEDRO
N#Cc1ccccc1NC1CC[NH+](C[C@H](O)COC2CCOCC2)CC1	ZINC000602895452	553663739	/nfs/dbraw/zinc/66/37/39/553663739.db2.gz	NVNDOKMPDCAGSK-SFHVURJKSA-N	1	0	359.470	1.991	20	30		FDEDRO
COC(=O)CCN1CC[C@@H]([NH+]2CCC(c3ccc(C#N)cn3)CC2)C1=O	ZINC000602905423	553666011	/nfs/dbraw/zinc/66/60/11/553666011.db2.gz	DXQBVJLNYMMFND-QGZVFWFLSA-N	1	0	356.426	1.297	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@](COC)(C(=O)OC(C)(C)C)C1	ZINC000602961318	553681209	/nfs/dbraw/zinc/68/12/09/553681209.db2.gz	NKGLAHVIUAWZDE-SFHVURJKSA-N	1	0	353.463	1.429	20	30		FDEDRO
CC[NH2+]Cc1ccn(Cc2cn(CCOc3cccc(C#N)c3)nn2)n1	ZINC000603209558	553732792	/nfs/dbraw/zinc/73/27/92/553732792.db2.gz	RJPPBPBGYGUYJQ-UHFFFAOYSA-N	1	0	351.414	1.583	20	30		FDEDRO
N#CCCc1cn(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)nn1	ZINC000603214272	553734044	/nfs/dbraw/zinc/73/40/44/553734044.db2.gz	GSYGCKYREKYNJF-UHFFFAOYSA-N	1	0	370.482	1.922	20	30		FDEDRO
N#Cc1ccc(N2CC[NH+](C3CCCCC3)CC2)c(CS(N)(=O)=O)c1	ZINC000603314657	553763145	/nfs/dbraw/zinc/76/31/45/553763145.db2.gz	UKAHHSSTEYNIHB-UHFFFAOYSA-N	1	0	362.499	1.801	20	30		FDEDRO
COC(=O)CC[N@@H+]1CCN(c2cc(C#N)c(Br)cn2)[C@@H](C)C1	ZINC000603330404	553765175	/nfs/dbraw/zinc/76/51/75/553765175.db2.gz	OLLPWGGDELMKSR-NSHDSACASA-N	1	0	367.247	1.789	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1	ZINC000603389712	553777588	/nfs/dbraw/zinc/77/75/88/553777588.db2.gz	DMNPNFSWZOQZHR-KRWDZBQOSA-N	1	0	364.453	1.535	20	30		FDEDRO
N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCN(CCN3CCOCC3)C1)CC2	ZINC000603429607	553786684	/nfs/dbraw/zinc/78/66/84/553786684.db2.gz	ZMEDIOBBBZMMGN-TZIWHRDSSA-N	1	0	354.498	1.932	20	30		FDEDRO
CCCC(=O)NC1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000603682465	553810029	/nfs/dbraw/zinc/81/00/29/553810029.db2.gz	SCNYDFPURDEKHG-SFHVURJKSA-N	1	0	359.470	1.873	20	30		FDEDRO
Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@H](O)COc1ccc(C#N)cc1	ZINC000604436269	553877752	/nfs/dbraw/zinc/87/77/52/553877752.db2.gz	JGJCAIKJVQJOMG-RBUKOAKNSA-N	1	0	370.449	1.944	20	30		FDEDRO
C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)CNc2ccc(C#N)cc2)CC1	ZINC000604539130	553886484	/nfs/dbraw/zinc/88/64/84/553886484.db2.gz	NSMMLZQZDNJWEA-ROUUACIJSA-N	1	0	369.513	1.987	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC1	ZINC000605341143	553976426	/nfs/dbraw/zinc/97/64/26/553976426.db2.gz	SOYMYNOICVISDD-UHFFFAOYSA-N	1	0	356.423	1.245	20	30		FDEDRO
Cc1ccc(C(=O)NCC[NH+]2CCCCC2)cc1S(=O)(=O)NCC#N	ZINC000608869296	554326624	/nfs/dbraw/zinc/32/66/24/554326624.db2.gz	WOHMFUAJNOYVOQ-UHFFFAOYSA-N	1	0	364.471	1.013	20	30		FDEDRO
CN1CC[NH+](CCCCNC(=O)c2cc3ccccc3n2CC#N)CC1	ZINC000609163755	554345685	/nfs/dbraw/zinc/34/56/85/554345685.db2.gz	PTBJERPOMZBNKK-UHFFFAOYSA-N	1	0	353.470	1.922	20	30		FDEDRO
N#CCN1CCC(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1	ZINC000609337040	554367724	/nfs/dbraw/zinc/36/77/24/554367724.db2.gz	QGEQAOZCQPNVBH-LJQANCHMSA-N	1	0	355.486	1.938	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCOC[C@H]1CCOC1	ZINC000609471509	554380437	/nfs/dbraw/zinc/38/04/37/554380437.db2.gz	DDIIWFONNDGLTN-IBGZPJMESA-N	1	0	374.485	1.685	20	30		FDEDRO
C[NH+](C)CCN1CCN(C(=O)CCCCOc2cccc(C#N)c2)CC1	ZINC000609555279	554392368	/nfs/dbraw/zinc/39/23/68/554392368.db2.gz	PAOMGLSVWPYOLJ-UHFFFAOYSA-N	1	0	358.486	1.813	20	30		FDEDRO
C[N@@H+]1CCCN(CCCNC(=O)CSCc2ccc(C#N)cc2)CC1	ZINC000609624002	554404115	/nfs/dbraw/zinc/40/41/15/554404115.db2.gz	MDHCUMRCULFOCY-UHFFFAOYSA-N	1	0	360.527	1.935	20	30		FDEDRO
COc1cccc(N2CC[C@H]([NH2+][C@@H](C(N)=O)c3ccc(C#N)cc3)C2)c1	ZINC000609676796	554410545	/nfs/dbraw/zinc/41/05/45/554410545.db2.gz	VOUHLOJBGMYVAP-QFBILLFUSA-N	1	0	350.422	1.962	20	30		FDEDRO
COc1cccc(N2CC[C@H]([NH2+][C@H](C(N)=O)c3ccc(C#N)cc3)C2)c1	ZINC000609676795	554410700	/nfs/dbraw/zinc/41/07/00/554410700.db2.gz	VOUHLOJBGMYVAP-LPHOPBHVSA-N	1	0	350.422	1.962	20	30		FDEDRO
C[C@H](NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(C#N)cc1	ZINC000609685071	554411612	/nfs/dbraw/zinc/41/16/12/554411612.db2.gz	PYMAIDAHJOONMO-QFBILLFUSA-N	1	0	371.485	1.325	20	30		FDEDRO
N#Cc1cc(NCCCC[NH+]2CCN(CCO)CC2)nc2ccccc12	ZINC000609893935	554435524	/nfs/dbraw/zinc/43/55/24/554435524.db2.gz	VPRXDLLXKCPWTK-UHFFFAOYSA-N	1	0	353.470	1.908	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](N3CCC[N@H+](C[C@H]4CCCO4)CC3)C2=O)cc1	ZINC000610002548	554448241	/nfs/dbraw/zinc/44/82/41/554448241.db2.gz	QVXFXUCLLKYYKB-WOJBJXKFSA-N	1	0	368.481	1.850	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccc(C#N)cc3F)CC2)C1	ZINC000610085432	554458486	/nfs/dbraw/zinc/45/84/86/554458486.db2.gz	PPNBFYPEYNXJRS-OAHLLOKOSA-N	1	0	366.462	1.098	20	30		FDEDRO
C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)N1CCN(c2ncccn2)CC1	ZINC000610346224	554494208	/nfs/dbraw/zinc/49/42/08/554494208.db2.gz	PBIAJSCGQTZQNL-JKSUJKDBSA-N	1	0	364.453	1.736	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2CN2CCOCC2)cc1	ZINC000610371655	554496101	/nfs/dbraw/zinc/49/61/01/554496101.db2.gz	WPCBKMMRIVRLDF-VQTJNVASSA-N	1	0	373.497	1.679	20	30		FDEDRO
C[C@H](NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1cccc(C#N)c1	ZINC000610403601	554500405	/nfs/dbraw/zinc/50/04/05/554500405.db2.gz	SDNRIBYDIBZNGZ-LPHOPBHVSA-N	1	0	371.485	1.325	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1	ZINC000610684303	554549585	/nfs/dbraw/zinc/54/95/85/554549585.db2.gz	KQBZKXBTSAIODA-HOCLYGCPSA-N	1	0	369.473	1.053	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)c(Cl)c1	ZINC000610870545	554573114	/nfs/dbraw/zinc/57/31/14/554573114.db2.gz	PDOSPVXJFWQYIL-UHFFFAOYSA-N	1	0	369.812	1.894	20	30		FDEDRO
C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2ccc(C#N)cc2Cl)cn1	ZINC000610870233	554573213	/nfs/dbraw/zinc/57/32/13/554573213.db2.gz	GMKZFGZRUYPBBA-UHFFFAOYSA-N	1	0	360.805	1.547	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NCCN2Cc3ccccc3C2)c(F)c1	ZINC000610916186	554580403	/nfs/dbraw/zinc/58/04/03/554580403.db2.gz	YWJWWILZVLYYCV-UHFFFAOYSA-N	1	0	352.369	1.768	20	30		FDEDRO
C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC2CCN(CC#N)CC2)CC1	ZINC000610973633	554589783	/nfs/dbraw/zinc/58/97/83/554589783.db2.gz	XTFVYAJTWBACDA-INIZCTEOSA-N	1	0	370.501	1.894	20	30		FDEDRO
CC[N@@H+]1CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C[C@@H]1C	ZINC000611088357	554604023	/nfs/dbraw/zinc/60/40/23/554604023.db2.gz	RIJZLFVUQMMPBM-ZDUSSCGKSA-N	1	0	354.458	1.703	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000611265691	554620589	/nfs/dbraw/zinc/62/05/89/554620589.db2.gz	RVIHDAGZVPFQMT-FAEJEUNOSA-N	1	0	372.469	1.728	20	30		FDEDRO
N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCN(CCN2CCOCC2)C1	ZINC000611392686	554630442	/nfs/dbraw/zinc/63/04/42/554630442.db2.gz	CXERRGVNURSMHF-TZIWHRDSSA-N	1	0	354.498	1.932	20	30		FDEDRO
Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@H](C)c1cccc(C#N)c1	ZINC000611387072	554630456	/nfs/dbraw/zinc/63/04/56/554630456.db2.gz	DTOQGFYQNSNZCL-CYBMUJFWSA-N	1	0	372.450	1.803	20	30		FDEDRO
COC[C@H]1CCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000611430025	554632933	/nfs/dbraw/zinc/63/29/33/554632933.db2.gz	QNRSQZYOPSNRKJ-HZPDHXFCSA-N	1	0	362.499	1.568	20	30		FDEDRO
COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCC[C@](C)(C#N)C1	ZINC000612272684	554756845	/nfs/dbraw/zinc/75/68/45/554756845.db2.gz	WIMRGMIRANGOPD-LJQANCHMSA-N	1	0	358.442	1.848	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+][C@H](CC(N)=O)C2CCCCC2)cc1	ZINC000612489950	554793205	/nfs/dbraw/zinc/79/32/05/554793205.db2.gz	KEFFUJCVUQTYCC-PKOBYXMFSA-N	1	0	359.470	1.906	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CC[C@](F)(C#N)C3)cc2)CC1	ZINC000615534379	555208773	/nfs/dbraw/zinc/20/87/73/555208773.db2.gz	ABBDIWSKWMQIOM-FQEVSTJZSA-N	1	0	373.476	1.971	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1	ZINC000616381582	555298873	/nfs/dbraw/zinc/29/88/73/555298873.db2.gz	VCMFLPKPXUNSIB-LJQANCHMSA-N	1	0	364.534	1.476	20	30		FDEDRO
C=CCN(C(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1)[C@@H](C)COC	ZINC000617578104	555469313	/nfs/dbraw/zinc/46/93/13/555469313.db2.gz	CJXSEQGEFYIOPB-BBWFWOEESA-N	1	0	351.491	1.369	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1	ZINC000618799011	555679003	/nfs/dbraw/zinc/67/90/03/555679003.db2.gz	NVMBPKXMIDWKJW-MRXNPFEDSA-N	1	0	355.442	1.699	20	30		FDEDRO
C[C@H]1OCC[C@@]12C[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)C[C@@H](C)O2	ZINC000619175495	555733274	/nfs/dbraw/zinc/73/32/74/555733274.db2.gz	ALQVYQFJSXMHIG-ZTRFORPCSA-N	1	0	360.454	1.761	20	30		FDEDRO
C[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)n1cnc(C#N)n1	ZINC000619611448	555808653	/nfs/dbraw/zinc/80/86/53/555808653.db2.gz	YKSSSLNANYPAQV-NVXWUHKLSA-N	1	0	352.442	1.739	20	30		FDEDRO
Cc1nc(CN2CCC(CNC(=O)[C@H](C)n3cnc(C#N)n3)CC2)oc1C	ZINC000619613059	555809106	/nfs/dbraw/zinc/80/91/06/555809106.db2.gz	VEJLWRKOPIFLRZ-ZDUSSCGKSA-N	1	0	371.445	1.344	20	30		FDEDRO
CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc(C#N)c(OC)c2)cc1	ZINC000619652587	555817708	/nfs/dbraw/zinc/81/77/08/555817708.db2.gz	OOBADJHWUYNRDP-UHFFFAOYSA-N	1	0	359.451	1.906	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(C[NH+]2CCCCCC2)CC1	ZINC000619707421	555823790	/nfs/dbraw/zinc/82/37/90/555823790.db2.gz	WWTNMAXDIAERSJ-MRXNPFEDSA-N	1	0	356.536	1.911	20	30		FDEDRO
Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000619736966	555828975	/nfs/dbraw/zinc/82/89/75/555828975.db2.gz	RFKNPRXSLQOEMV-QGZVFWFLSA-N	1	0	352.442	1.655	20	30		FDEDRO
COc1ccc(C[NH2+]C2CC(NS(C)(=O)=O)C2)cc1OCCCC#N	ZINC000619747992	555830225	/nfs/dbraw/zinc/83/02/25/555830225.db2.gz	MFVGSSOYMTWKSW-UHFFFAOYSA-N	1	0	367.471	1.548	20	30		FDEDRO
C[C@H](CNC(=O)NCc1ccc(C#N)c(Cl)c1)C[NH+]1CCN(C)CC1	ZINC000619759632	555831833	/nfs/dbraw/zinc/83/18/33/555831833.db2.gz	UADYTABAPAVGFZ-CQSZACIVSA-N	1	0	363.893	1.894	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@H](C)c3ccsc3)CC2)o1	ZINC000619783442	555833136	/nfs/dbraw/zinc/83/31/36/555833136.db2.gz	RXMYAXMKQPQFHK-GFCCVEGCSA-N	1	0	359.455	1.916	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](CC)[NH2+][C@@H](C)C2)cc1	ZINC000620906518	556002530	/nfs/dbraw/zinc/00/25/30/556002530.db2.gz	GFVRLIUEHUVHBM-DZGCQCFKSA-N	1	0	351.472	1.363	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[NH2+][C@H]([C@H](CO)C1CC1)C1CC1	ZINC000625457803	556813029	/nfs/dbraw/zinc/81/30/29/556813029.db2.gz	QITXDBNCXDXNIE-MOPGFXCFSA-N	1	0	352.434	1.673	20	30		FDEDRO
O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N[C@H]1CC[NH2+]C12CCC2	ZINC000626850035	557195211	/nfs/dbraw/zinc/19/52/11/557195211.db2.gz	MOXAEUHEFIOYLQ-IBGZPJMESA-N	1	0	374.444	1.821	20	30		FDEDRO
C=C(C)C[C@@H]1NC(=O)N(CCCC[NH+]2CCN(c3ncccn3)CC2)C1=O	ZINC000630973875	557965070	/nfs/dbraw/zinc/96/50/70/557965070.db2.gz	SHSLTAHVLSTVGH-INIZCTEOSA-N	1	0	372.473	1.265	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000633090953	558255996	/nfs/dbraw/zinc/25/59/96/558255996.db2.gz	NWMGZUHILBTRLA-KRWDZBQOSA-N	1	0	352.523	1.685	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC1	ZINC000365206468	568318052	/nfs/dbraw/zinc/31/80/52/568318052.db2.gz	KDLQDHKQXZLYMP-SFHVURJKSA-N	1	0	369.469	1.125	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)COc1ccc(-c2nn[nH]n2)cc1	ZINC000821181294	607322474	/nfs/dbraw/zinc/32/24/74/607322474.db2.gz	LPYZITBRNSHMKY-AWEZNQCLSA-N	1	0	357.414	1.522	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@@H](CN1CCOCC1)c1ccccc1C	ZINC000273248828	674520361	/nfs/dbraw/zinc/52/03/61/674520361.db2.gz	KSMOGLHYHWOXMY-SFHVURJKSA-N	1	0	352.500	1.559	20	30		FDEDRO
C[NH+](C)CCNS(=O)(=O)c1ccc(NCCCC#N)c([N+](=O)[O-])c1	ZINC000273307511	674526255	/nfs/dbraw/zinc/52/62/55/674526255.db2.gz	HZQMLYSELLGKJK-UHFFFAOYSA-N	1	0	355.420	1.150	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C	ZINC000273474907	674540993	/nfs/dbraw/zinc/54/09/93/674540993.db2.gz	RBEBQZZYOQJVJD-CABCVRRESA-N	1	0	351.447	1.543	20	30		FDEDRO
C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)N[C@@H]1C[N@H+](CC)C[C@H]1C	ZINC000819743150	606735483	/nfs/dbraw/zinc/73/54/83/606735483.db2.gz	DIWZMHFJJDGIOI-RHSMWYFYSA-N	1	0	369.473	1.905	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@H](C)Oc1ccc(-c2nn[nH]n2)cc1	ZINC000823849820	607923805	/nfs/dbraw/zinc/92/38/05/607923805.db2.gz	ANCURXMNAVEJBP-DZGCQCFKSA-N	1	0	355.398	1.275	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1ccc(F)cc1C#N	ZINC000825935061	608035593	/nfs/dbraw/zinc/03/55/93/608035593.db2.gz	STKPVIRDKKRBMM-UHFFFAOYSA-N	1	0	355.381	1.247	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1	ZINC000824529544	608460554	/nfs/dbraw/zinc/46/05/54/608460554.db2.gz	GXMOZUIUYHDSMD-ZJNRKIDTSA-N	1	0	355.446	1.960	20	30		FDEDRO
C[C@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1cccc(C#N)c1	ZINC000824568806	608489820	/nfs/dbraw/zinc/48/98/20/608489820.db2.gz	DBGIIFXMLXECBG-GUYCJALGSA-N	1	0	364.409	1.829	20	30		FDEDRO
C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(-c2nn[nH]n2)c(F)c1	ZINC000824598769	609150970	/nfs/dbraw/zinc/15/09/70/609150970.db2.gz	ILRZUFJKQAYSSW-JMNMEQFQSA-N	1	0	371.376	1.183	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)N1CCC(Oc2cncc(Cl)n2)CC1	ZINC000275026867	674601401	/nfs/dbraw/zinc/60/14/01/674601401.db2.gz	AGCYJTYYUXKRRX-GFCCVEGCSA-N	1	0	351.838	1.734	20	30		FDEDRO
C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1	ZINC000275619102	674625697	/nfs/dbraw/zinc/62/56/97/674625697.db2.gz	AFCUKOCSWHYEAU-GFCCVEGCSA-N	1	0	366.849	1.837	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2cc(C#N)ccc2Cl)CCCO1	ZINC000278079974	675089943	/nfs/dbraw/zinc/08/99/43/675089943.db2.gz	ZXQXKGCCXKSILI-CYBMUJFWSA-N	1	0	371.890	1.991	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](C[NH+](C)C)C2)cc1	ZINC000278649162	675167104	/nfs/dbraw/zinc/16/71/04/675167104.db2.gz	PQJAANJKNOSKBB-UONOGXRCSA-N	1	0	364.471	1.788	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1	ZINC000278649156	675167199	/nfs/dbraw/zinc/16/71/99/675167199.db2.gz	PQJAANJKNOSKBB-KGLIPLIRSA-N	1	0	364.471	1.788	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CC1	ZINC000057154969	671261902	/nfs/dbraw/zinc/26/19/02/671261902.db2.gz	CTTXFSNISIXVAA-UHFFFAOYSA-N	1	0	369.874	1.995	20	30		FDEDRO
CC[NH+]=C(NCC1(C)CCCC1)N1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000087156914	671485114	/nfs/dbraw/zinc/48/51/14/671485114.db2.gz	DKIXZMWHLOPRSG-INIZCTEOSA-N	1	0	350.507	1.855	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCC(C)(C)[NH+]2CCCCC2)CC1	ZINC000104155080	671594416	/nfs/dbraw/zinc/59/44/16/671594416.db2.gz	ZPBBFQGQSPAYAC-UHFFFAOYSA-N	1	0	353.511	1.776	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccc(S(=O)(=O)NC)cc1	ZINC000121315322	671702682	/nfs/dbraw/zinc/70/26/82/671702682.db2.gz	RMLFCKZHVYPBJC-AWEZNQCLSA-N	1	0	352.456	1.485	20	30		FDEDRO
C#CCSCCNC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1	ZINC000121418506	671704319	/nfs/dbraw/zinc/70/43/19/671704319.db2.gz	FKSYRNXPHGMUDO-IRXDYDNUSA-N	1	0	352.548	1.553	20	30		FDEDRO
CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C#CC[NH+](CC)CC)c1	ZINC000121484832	671705510	/nfs/dbraw/zinc/70/55/10/671705510.db2.gz	BOGACMQJXCTBCA-HNNXBMFYSA-N	1	0	366.483	1.875	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@H]2CCS(=O)(=O)C2)cc1OCCCC#N	ZINC000147138074	671854177	/nfs/dbraw/zinc/85/41/77/671854177.db2.gz	JYSDZMKZCQLYEI-OAHLLOKOSA-N	1	0	352.456	1.902	20	30		FDEDRO
C=C(C)C[NH+]=C(NCCc1ccco1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000154488342	671923734	/nfs/dbraw/zinc/92/37/34/671923734.db2.gz	LOIAYQKQEZWTEQ-UHFFFAOYSA-N	1	0	353.488	1.853	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])ccc1F	ZINC000156609687	671957857	/nfs/dbraw/zinc/95/78/57/671957857.db2.gz	LCSFKALMDKWGQT-SWLSCSKDSA-N	1	0	369.462	1.489	20	30		FDEDRO
C[NH+]=C(NCCN(C)C1CCCCC1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158590987	671981111	/nfs/dbraw/zinc/98/11/11/671981111.db2.gz	MJCGZQNSXAKZHD-UHFFFAOYSA-N	1	0	358.552	1.335	20	30		FDEDRO
C=C(Br)CNC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1	ZINC000171433851	672054802	/nfs/dbraw/zinc/05/48/02/672054802.db2.gz	BNSRHHPBUXLNKE-UHFFFAOYSA-N	1	0	361.284	1.091	20	30		FDEDRO
COC(=O)N1CCC([C@H](C)[NH2+]CC(=O)NC2(C#N)CCCCC2)CC1	ZINC000186415180	672271882	/nfs/dbraw/zinc/27/18/82/672271882.db2.gz	FUFZNDPUAJHRGE-AWEZNQCLSA-N	1	0	350.463	1.786	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000192579706	672356369	/nfs/dbraw/zinc/35/63/69/672356369.db2.gz	BOORZVVRFHRIDK-KBPBESRZSA-N	1	0	353.488	1.798	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](CN(CC)CC(F)(F)F)C1	ZINC000246131599	672495912	/nfs/dbraw/zinc/49/59/12/672495912.db2.gz	FGBUSIUZEYTJCB-CHWSQXEVSA-N	1	0	364.412	1.593	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CCC[C@H]2NS(C)(=O)=O)cc1	ZINC000247489276	672526929	/nfs/dbraw/zinc/52/69/29/672526929.db2.gz	WTLIEWMHNIWUOI-FRFSOERESA-N	1	0	351.472	1.785	20	30		FDEDRO
COCCN(C)S(=O)(=O)[C@@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1	ZINC000249133035	672545350	/nfs/dbraw/zinc/54/53/50/672545350.db2.gz	YIFPDCQGOJWIEK-MAUKXSAKSA-N	1	0	365.499	1.992	20	30		FDEDRO
C[NH+]=C(NCc1ccc(Cl)cc1)NCC1CCN(S(C)(=O)=O)CC1	ZINC000261662464	672645881	/nfs/dbraw/zinc/64/58/81/672645881.db2.gz	OCEVPRIFKFQPRT-UHFFFAOYSA-N	1	0	372.922	1.677	20	30		FDEDRO
C[NH+]=C(NCC(C)(C)N1CCOCC1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	ZINC000261686304	672650891	/nfs/dbraw/zinc/65/08/91/672650891.db2.gz	RFKPJZHHTOPREU-XHSDSOJGSA-N	1	0	350.507	1.220	20	30		FDEDRO
C[NH+]=C(NCc1csc(Br)c1)N1CCO[C@@H](COC)C1	ZINC000261762646	672667283	/nfs/dbraw/zinc/66/72/83/672667283.db2.gz	DBFNBMVHXHZYGB-LLVKDONJSA-N	1	0	362.293	1.933	20	30		FDEDRO
C=CCOc1ccccc1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000261806677	672675013	/nfs/dbraw/zinc/67/50/13/672675013.db2.gz	HFNISIUVKURVEJ-OAHLLOKOSA-N	1	0	357.376	1.817	20	30		FDEDRO
C[C@@H]1CCC[C@H]([NH+]=C(NC[C@@H]2CCOC2)NC[C@@H]2CCS(=O)(=O)C2)C1	ZINC000261826772	672679381	/nfs/dbraw/zinc/67/93/81/672679381.db2.gz	NZAYADODANMADM-QZWWFDLISA-N	1	0	371.547	1.572	20	30		FDEDRO
CC[NH+]=C(NCC(C)(C)SC)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261841089	672681635	/nfs/dbraw/zinc/68/16/35/672681635.db2.gz	WIVGVIKRJIZKST-UHFFFAOYSA-N	1	0	352.508	1.176	20	30		FDEDRO
C[NH+]=C(NCc1sc(C)nc1C)N[C@@H]1CCc2nc(COC)nn2C1	ZINC000261931695	672696302	/nfs/dbraw/zinc/69/63/02/672696302.db2.gz	BNRTXHLGYYLMTG-GFCCVEGCSA-N	1	0	363.491	1.178	20	30		FDEDRO
CC[NH+]=C(NC[C@H](C)Oc1ccccc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261933772	672696762	/nfs/dbraw/zinc/69/67/62/672696762.db2.gz	BZOFXUKXUFEIBX-HNNXBMFYSA-N	1	0	367.515	1.928	20	30		FDEDRO
[NH2+]=C(NC[C@@H](O)C(F)(F)F)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000261970707	672704849	/nfs/dbraw/zinc/70/48/49/672704849.db2.gz	CYLFLBIYPMYEHJ-GFCCVEGCSA-N	1	0	350.772	1.700	20	30		FDEDRO
C/[NH+]=C(/NCc1cn2ccsc2n1)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000261981150	672706457	/nfs/dbraw/zinc/70/64/57/672706457.db2.gz	RKDXERSGFBAXPI-UHFFFAOYSA-N	1	0	362.503	1.802	20	30		FDEDRO
C[NH+]=C(NCc1ccc(NS(C)(=O)=O)cc1)NC[C@H]1CCCS1	ZINC000261988167	672707614	/nfs/dbraw/zinc/70/76/14/672707614.db2.gz	QQOAZMAHDBHGQL-CQSZACIVSA-N	1	0	356.517	1.619	20	30		FDEDRO
C[NH+]=C(NCc1ccc(C)s1)N1CCN(CCC(=O)N(C)C)CC1	ZINC000261986487	672707654	/nfs/dbraw/zinc/70/76/54/672707654.db2.gz	QEUBNUZQCUEFSY-UHFFFAOYSA-N	1	0	351.520	1.228	20	30		FDEDRO
CN(C)C(NCc1ccccc1)=[NH+]C[C@]1(N2CCOCC2)CCSC1	ZINC000261992957	672707873	/nfs/dbraw/zinc/70/78/73/672707873.db2.gz	MVBULUSGZJSXKP-LJQANCHMSA-N	1	0	362.543	1.902	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(N[C@H]2CCN(C(=O)CC)C2)=[NH+]C)C12CCCC2	ZINC000261992367	672708057	/nfs/dbraw/zinc/70/80/57/672708057.db2.gz	RQEDLQIGZMQJRS-HRCADAONSA-N	1	0	350.507	1.900	20	30		FDEDRO
CC[NH+]=C(NCCc1ccccc1F)N1CCS(=O)(=O)C(C)(C)C1	ZINC000262000673	672709624	/nfs/dbraw/zinc/70/96/24/672709624.db2.gz	UICVPPQEIZTXSW-UHFFFAOYSA-N	1	0	355.479	1.843	20	30		FDEDRO
NS(=O)(=O)c1ccc(CCNC(=[NH2+])Nc2ccc3c(c2)CCC3)cc1	ZINC000262194535	672744516	/nfs/dbraw/zinc/74/45/16/672744516.db2.gz	COLAEQDQVJXESH-UHFFFAOYSA-N	1	0	358.467	1.792	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1[NH2+]CCc2ccccc21	ZINC000262228758	672751004	/nfs/dbraw/zinc/75/10/04/672751004.db2.gz	GOQWICPWAGMLRL-INIZCTEOSA-N	1	0	357.435	1.732	20	30		FDEDRO
C[C@H]1CCCN(C(=[NH2+])NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000262291311	672762945	/nfs/dbraw/zinc/76/29/45/672762945.db2.gz	BWIFMDNQIUKJMQ-LBPRGKRZSA-N	1	0	354.432	1.415	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)NC(C)C)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1	ZINC000262292903	672763271	/nfs/dbraw/zinc/76/32/71/672763271.db2.gz	XXJWBZIRMBJOMV-HRCADAONSA-N	1	0	358.552	1.838	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)=[NH+]C1CCCCC1	ZINC000262329723	672770935	/nfs/dbraw/zinc/77/09/35/672770935.db2.gz	UUEMDSDZCAGMPX-USXIJHARSA-N	1	0	350.507	1.756	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@H](C)c1cn(C(C)(C)C)nc1C	ZINC000262352927	672775157	/nfs/dbraw/zinc/77/51/57/672775157.db2.gz	FLSNZJYJNOBKNZ-OCCSQVGLSA-N	1	0	369.535	1.607	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)NC[C@H]1COC2(CCCCCC2)O1	ZINC000262389203	672781542	/nfs/dbraw/zinc/78/15/42/672781542.db2.gz	LVOHRSNNKHICFV-GJZGRUSLSA-N	1	0	373.519	1.052	20	30		FDEDRO
C[C@@H]1C[C@H](NC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCCC2)CCO1	ZINC000262414080	672785595	/nfs/dbraw/zinc/78/55/95/672785595.db2.gz	PVOZYIWQRFIHII-HLLBOEOZSA-N	1	0	371.547	1.857	20	30		FDEDRO
CC(C)NS(=O)(=O)Cc1ccc(CNC(=[NH2+])N2CCO[C@@H](C)C2)cc1	ZINC000262430980	672788235	/nfs/dbraw/zinc/78/82/35/672788235.db2.gz	DYIMIBRNWGJDQY-AWEZNQCLSA-N	1	0	368.503	1.050	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](N2CCCCC2)C1	ZINC000262430324	672788283	/nfs/dbraw/zinc/78/82/83/672788283.db2.gz	SKJJWKPIAQKYSX-IRXDYDNUSA-N	1	0	370.563	1.335	20	30		FDEDRO
C=C(C)CNC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C	ZINC000262454662	672792322	/nfs/dbraw/zinc/79/23/22/672792322.db2.gz	WOQBAZJJXRTZEI-CAOSSQGBSA-N	1	0	369.531	1.346	20	30		FDEDRO
C[NH+]=C(NC[C@]1(O)CCSC1)NCC1(N2CCOCC2)CCCCC1	ZINC000262714766	672834173	/nfs/dbraw/zinc/83/41/73/672834173.db2.gz	DIHNPNXNBDPDAV-GOSISDBHSA-N	1	0	370.563	1.055	20	30		FDEDRO
C[C@H]1[NH2+]CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)[C@@H]1C	ZINC000262763320	672844437	/nfs/dbraw/zinc/84/44/37/672844437.db2.gz	JZOYLJRJSHCNFU-NXEZZACHSA-N	1	0	358.261	1.692	20	30		FDEDRO
C[NH+]=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)NC1CCCC1	ZINC000263122311	672863122	/nfs/dbraw/zinc/86/31/22/672863122.db2.gz	RLSQTXMWBGZLMV-UHFFFAOYSA-N	1	0	352.451	1.358	20	30		FDEDRO
[NH2+]=C(NCC(=O)Nc1ccc(I)cc1)NC1CCC1	ZINC000263194802	672866301	/nfs/dbraw/zinc/86/63/01/672866301.db2.gz	WGROSEIIELPMBF-UHFFFAOYSA-N	1	0	372.210	1.687	20	30		FDEDRO
[NH2+]=C(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)N1CCOCC1	ZINC000264125091	672902003	/nfs/dbraw/zinc/90/20/03/672902003.db2.gz	WBOLMPLIHXTQAK-INIZCTEOSA-N	1	0	352.866	1.360	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000265913407	673017031	/nfs/dbraw/zinc/01/70/31/673017031.db2.gz	YNYGIGMOVDSJKW-UHFFFAOYSA-N	1	0	363.483	1.790	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+](C)C[C@H](C)C(=O)NC)c(OC)c1	ZINC000267046396	673239831	/nfs/dbraw/zinc/23/98/31/673239831.db2.gz	FBRGQRXRYXBRBS-GOEBONIOSA-N	1	0	350.459	1.477	20	30		FDEDRO
CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1	ZINC000289353181	676123842	/nfs/dbraw/zinc/12/38/42/676123842.db2.gz	JKKADRHAMKCXPV-GOSISDBHSA-N	1	0	364.515	1.892	20	30		FDEDRO
COc1ccccc1O[C@H](C)CNC(=[NH2+])NCCCN1CCOCC1	ZINC000267411725	673300948	/nfs/dbraw/zinc/30/09/48/673300948.db2.gz	IIJOZXYTYNDYSK-OAHLLOKOSA-N	1	0	350.463	1.089	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(F)cc1)S(=O)(=O)c1cncc(C#N)c1	ZINC000289719423	676170669	/nfs/dbraw/zinc/17/06/69/676170669.db2.gz	IHMMTUKCXQAPNN-UHFFFAOYSA-N	1	0	362.430	1.845	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)CCC[NH+]2CCCC2)cc1	ZINC000281662193	675542090	/nfs/dbraw/zinc/54/20/90/675542090.db2.gz	IYYVEWJJZONWCI-UHFFFAOYSA-N	1	0	365.499	1.709	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(F)c1	ZINC000282625880	675637872	/nfs/dbraw/zinc/63/78/72/675637872.db2.gz	BRHAWVVGFBHWCJ-AWEZNQCLSA-N	1	0	356.467	1.526	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1	ZINC000282989830	675645949	/nfs/dbraw/zinc/64/59/49/675645949.db2.gz	XWQPSYQDROOIQP-KBPBESRZSA-N	1	0	356.517	1.811	20	30		FDEDRO
C#CC[C@H](Cc1ccccc1)[NH2+][C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1	ZINC000285102709	675798609	/nfs/dbraw/zinc/79/86/09/675798609.db2.gz	LXHMXDNTQRZHGO-NXHRZFHOSA-N	1	0	362.495	1.245	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1cnn(-c2ccccc2OC)c1	ZINC000293925892	676370798	/nfs/dbraw/zinc/37/07/98/676370798.db2.gz	YHGMAQFPMKXUSE-UHFFFAOYSA-N	1	0	362.455	1.114	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NC[C@@H](O)c1cccc(Br)c1	ZINC000296972839	676422288	/nfs/dbraw/zinc/42/22/88/676422288.db2.gz	ROLNTILYDWPVCG-OAHLLOKOSA-N	1	0	368.275	1.737	20	30		FDEDRO
CC#CC[N@H+](C)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000298076557	676432962	/nfs/dbraw/zinc/43/29/62/676432962.db2.gz	HHPXYESJMLISEU-UHFFFAOYSA-N	1	0	363.483	1.755	20	30		FDEDRO
CNC(NCCCCCC(=O)N1CCN(C(=O)CC(C)C)CC1)=[NH+]C	ZINC000303402609	676542650	/nfs/dbraw/zinc/54/26/50/676542650.db2.gz	NFXRVSBHLVLADY-UHFFFAOYSA-N	1	0	353.511	1.059	20	30		FDEDRO
CS(=O)(=O)c1ccc(NCCNC(=[NH2+])N2CCCCC2)c([N+](=O)[O-])c1	ZINC000303790529	676543059	/nfs/dbraw/zinc/54/30/59/676543059.db2.gz	WHGITUZSQKKDHL-UHFFFAOYSA-N	1	0	369.447	1.211	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1cc(F)cc(Br)c1	ZINC000303903077	676543629	/nfs/dbraw/zinc/54/36/29/676543629.db2.gz	YFAASUUINYUQEF-UHFFFAOYSA-N	1	0	373.270	1.585	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])N[C@@H]2CCN(CC(F)(F)F)C2)CC1	ZINC000303889964	676543770	/nfs/dbraw/zinc/54/37/70/676543770.db2.gz	PTCDWEXWGQXHPS-GFCCVEGCSA-N	1	0	365.400	1.148	20	30		FDEDRO
CC(C)CCNC(=[NH2+])NCC1CCN(S(=O)(=O)C(F)(F)F)CC1	ZINC000304741499	676544128	/nfs/dbraw/zinc/54/41/28/676544128.db2.gz	CEPSNRDQOCKXQZ-UHFFFAOYSA-N	1	0	358.430	1.498	20	30		FDEDRO
[NH2+]=C(NCCNC(=O)c1cccc(Br)c1)NCC1CCC1	ZINC000303990927	676544168	/nfs/dbraw/zinc/54/41/68/676544168.db2.gz	ZBMNNJWILGUAJP-UHFFFAOYSA-N	1	0	353.264	1.883	20	30		FDEDRO
CS(=O)(=O)Cc1ccccc1CNC(=[NH2+])NCCc1cccs1	ZINC000304761302	676544505	/nfs/dbraw/zinc/54/45/05/676544505.db2.gz	UFUPXIDXYOXNIO-UHFFFAOYSA-N	1	0	351.497	1.940	20	30		FDEDRO
C[NH+]=C(NCCc1nc(C(C)(C)C)cs1)NCCN1CCOCC1	ZINC000304764336	676544570	/nfs/dbraw/zinc/54/45/70/676544570.db2.gz	XWYDANQECYKCEI-UHFFFAOYSA-N	1	0	353.536	1.480	20	30		FDEDRO
COCCNS(=O)(=O)c1cccc(CNC(=[NH2+])N2CCCCCC2)c1	ZINC000305061124	676544871	/nfs/dbraw/zinc/54/48/71/676544871.db2.gz	LCDSTUUPIHQUHD-UHFFFAOYSA-N	1	0	368.503	1.302	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NC[C@H]1COC2(CCCCCC2)O1	ZINC000305842454	676545547	/nfs/dbraw/zinc/54/55/47/676545547.db2.gz	RQEZVKDXBCRSOG-INIZCTEOSA-N	1	0	354.495	1.079	20	30		FDEDRO
O=C(Nc1nc(CN2CCOCC2)cs1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000328644121	676600565	/nfs/dbraw/zinc/60/05/65/676600565.db2.gz	FSPAQNWODCGSDQ-CABCVRRESA-N	1	0	365.503	1.928	20	30		FDEDRO
CS(=O)(=O)N1CCC(CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1	ZINC000328666736	676601487	/nfs/dbraw/zinc/60/14/87/676601487.db2.gz	CZWUVPYYBAAPNB-INIZCTEOSA-N	1	0	372.535	1.132	20	30		FDEDRO
CN1CCO[C@H](CNC(=O)CNC(=O)c2cc3c(s2)CCCC3)C1	ZINC000328774471	676606348	/nfs/dbraw/zinc/60/63/48/676606348.db2.gz	SAZXMJJNURLETH-CYBMUJFWSA-N	1	0	351.472	1.644	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1	ZINC000328788904	676606996	/nfs/dbraw/zinc/60/69/96/676606996.db2.gz	XZVGKMAUVRVNQS-XHSDSOJGSA-N	1	0	351.491	1.683	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1	ZINC000328984406	676614876	/nfs/dbraw/zinc/61/48/76/676614876.db2.gz	GCEVKLUBMIXQFR-HUUCEWRRSA-N	1	0	372.535	1.321	20	30		FDEDRO
Cc1noc(CNC(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1	ZINC000329121878	676621265	/nfs/dbraw/zinc/62/12/65/676621265.db2.gz	QTTFDIAAZQCYSF-OKILXGFUSA-N	1	0	350.467	1.282	20	30		FDEDRO
Cc1nc(CC(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)c(C)s1	ZINC000329188867	676624024	/nfs/dbraw/zinc/62/40/24/676624024.db2.gz	QOAYYNSAFJMLQY-OAHLLOKOSA-N	1	0	350.488	1.954	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1	ZINC000329229480	676626926	/nfs/dbraw/zinc/62/69/26/676626926.db2.gz	CQYUYCGGPAMKHK-ZACQAIPSSA-N	1	0	350.507	1.618	20	30		FDEDRO
CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)C[C@@H]1C	ZINC000329303068	676632140	/nfs/dbraw/zinc/63/21/40/676632140.db2.gz	WQQSABAESOYCAF-LJIGWXMPSA-N	1	0	373.519	1.051	20	30		FDEDRO
O=C(Nc1nncs1)C1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1	ZINC000329314259	676632787	/nfs/dbraw/zinc/63/27/87/676632787.db2.gz	RQYGNRDCFGUVGZ-GFCCVEGCSA-N	1	0	364.475	1.989	20	30		FDEDRO
O=C(Nc1nc(CN2CCOCC2)cs1)N1CC[N@@H+]2CCC[C@H]2C1	ZINC000329363338	676635340	/nfs/dbraw/zinc/63/53/40/676635340.db2.gz	JDPYEQKBUXWLAI-AWEZNQCLSA-N	1	0	351.476	1.301	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1	ZINC000329385675	676636356	/nfs/dbraw/zinc/63/63/56/676636356.db2.gz	PJQUIRAGJUDGMR-BFYDXBDKSA-N	1	0	373.519	1.101	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2OCCN(C(=O)CNC(=O)NC3CCCCC3)[C@H]2C1	ZINC000329388590	676636714	/nfs/dbraw/zinc/63/67/14/676636714.db2.gz	RKEGTOQCDOHQNA-JKSUJKDBSA-N	1	0	352.479	1.144	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CCOCC2(CC2)C1	ZINC000329482317	676640848	/nfs/dbraw/zinc/64/08/48/676640848.db2.gz	WDFCHUVXIRXJCL-SJORKVTESA-N	1	0	351.491	1.781	20	30		FDEDRO
Cc1nnc([C@@H](C)NC(=O)N2CC[NH+](CC3CCOCC3)CC2)s1	ZINC000329564342	676644155	/nfs/dbraw/zinc/64/41/55/676644155.db2.gz	KAVUTCUUFRWLCA-GFCCVEGCSA-N	1	0	353.492	1.866	20	30		FDEDRO
Cc1nc(CCNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cs1	ZINC000329573981	676644657	/nfs/dbraw/zinc/64/46/57/676644657.db2.gz	JLVNOUCDIYNADB-AWEZNQCLSA-N	1	0	352.504	1.999	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)CC1	ZINC000329651419	676647986	/nfs/dbraw/zinc/64/79/86/676647986.db2.gz	KUBDPPZCBUBGNP-ARFHVFGLSA-N	1	0	351.495	1.225	20	30		FDEDRO
C[C@H](NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000329700272	676650259	/nfs/dbraw/zinc/65/02/59/676650259.db2.gz	GNWOKKYBSRTXGQ-YQQAZPJKSA-N	1	0	371.547	1.715	20	30		FDEDRO
CN1CCO[C@@H](C(=O)NC2CCC(C(=O)N3CCSCC3)CC2)C1	ZINC000329734215	676652325	/nfs/dbraw/zinc/65/23/25/676652325.db2.gz	KEAZQKMJKDRLTB-YMAMQOFZSA-N	1	0	355.504	1.408	20	30		FDEDRO
CC(C)N1CC[C@H](NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1=O	ZINC000329767626	676654289	/nfs/dbraw/zinc/65/42/89/676654289.db2.gz	ZUKQYFOMARYHIJ-HOCLYGCPSA-N	1	0	352.479	1.000	20	30		FDEDRO
Cc1noc([C@H](C)N2CCN(C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)n1	ZINC000329810208	676658033	/nfs/dbraw/zinc/65/80/33/676658033.db2.gz	QMBQSZDDHOGHKR-VNHYZAJKSA-N	1	0	350.467	1.453	20	30		FDEDRO
C[C@H](NC(=O)N[C@@H]1CCCS(=O)(=O)C1)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000329835646	676659836	/nfs/dbraw/zinc/65/98/36/676659836.db2.gz	LMIYABLIUCHUIA-SOUVJXGZSA-N	1	0	357.520	1.720	20	30		FDEDRO
CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@@H]3CCC(=O)N(C)C3)C2)CC1	ZINC000329845307	676660379	/nfs/dbraw/zinc/66/03/79/676660379.db2.gz	OOESQJAHDGZXMF-DLBZAZTESA-N	1	0	350.507	1.965	20	30		FDEDRO
C[C@H](NC(=O)NCc1ccc(S(C)(=O)=O)s1)C1=CC[N@H+](C)CC1	ZINC000329876441	676661915	/nfs/dbraw/zinc/66/19/15/676661915.db2.gz	IADXJQKGFLXJMV-NSHDSACASA-N	1	0	357.501	1.806	20	30		FDEDRO
C[C@H](C(=O)NC[C@]1([NH+](C)C)CCSC1)N1C(=O)NC2(CCCC2)C1=O	ZINC000330106828	676672809	/nfs/dbraw/zinc/67/28/09/676672809.db2.gz	LIWAYEDDVUCUBC-MLGOLLRUSA-N	1	0	368.503	1.838	20	30		FDEDRO
CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1	ZINC000330183020	676677110	/nfs/dbraw/zinc/67/71/10/676677110.db2.gz	PKUPXPMQOBMISG-HUUCEWRRSA-N	1	0	360.524	1.131	20	30		FDEDRO
CSC1(CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CCOCC1	ZINC000330201130	676678052	/nfs/dbraw/zinc/67/80/52/676678052.db2.gz	XIHXKQNGFSEYCH-HNNXBMFYSA-N	1	0	357.520	1.467	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(c3nc(N)ns3)CC2)C1	ZINC000330212521	676678737	/nfs/dbraw/zinc/67/87/37/676678737.db2.gz	DQTLTPGSZHFZIS-ZDUSSCGKSA-N	1	0	367.523	1.277	20	30		FDEDRO
CC(C)N1C[C@H](NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1=O	ZINC000330232984	676679800	/nfs/dbraw/zinc/67/98/00/676679800.db2.gz	FUFFMVRFXLNXLW-GOEBONIOSA-N	1	0	352.479	1.000	20	30		FDEDRO
O=C(CN1CC[NH+](C[C@@H]2CCOC2)CC1)NC(=O)NC1CCCCC1	ZINC000330253831	676681363	/nfs/dbraw/zinc/68/13/63/676681363.db2.gz	JCYGRMRTVKVCRW-HNNXBMFYSA-N	1	0	352.479	1.844	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000330376653	676686630	/nfs/dbraw/zinc/68/66/30/676686630.db2.gz	PCTMIIDHQQCSMP-WMZOPIPTSA-N	1	0	364.515	1.967	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(S(N)(=O)=O)cc2C)C1	ZINC000330433527	676690514	/nfs/dbraw/zinc/69/05/14/676690514.db2.gz	XOCAEXYCEHOGKE-AWEZNQCLSA-N	1	0	354.476	1.130	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)C1	ZINC000330476246	676692693	/nfs/dbraw/zinc/69/26/93/676692693.db2.gz	KIPXQSGCHNAPDY-OCCSQVGLSA-N	1	0	354.476	1.383	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1	ZINC000330500500	676693949	/nfs/dbraw/zinc/69/39/49/676693949.db2.gz	PHIXOLGNCHJLPR-JTDSTZFVSA-N	1	0	350.507	1.614	20	30		FDEDRO
C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CC[C@@H]([NH+]2CCCCC2)C1	ZINC000330639204	676699109	/nfs/dbraw/zinc/69/91/09/676699109.db2.gz	GYCMVVGXOVQZIQ-VXGBXAGGSA-N	1	0	350.385	1.528	20	30		FDEDRO
CC(=O)Nc1cc(NC(=O)N2CCC([N@H+](C)CCO)CC2)ccc1F	ZINC000330708160	676701444	/nfs/dbraw/zinc/70/14/44/676701444.db2.gz	NJGGQWKUXOZBEK-UHFFFAOYSA-N	1	0	352.410	1.718	20	30		FDEDRO
C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1	ZINC000330897399	676708626	/nfs/dbraw/zinc/70/86/26/676708626.db2.gz	UESMYIFDULFLNC-NWDGAFQWSA-N	1	0	357.451	1.940	20	30		FDEDRO
Cc1ccc(NC(=O)N2C[C@H](C)O[C@H](CO)C2)c(OCC[NH+](C)C)c1	ZINC000330990800	676713038	/nfs/dbraw/zinc/71/30/38/676713038.db2.gz	SHSPQLZRNCMWFS-GJZGRUSLSA-N	1	0	351.447	1.563	20	30		FDEDRO
Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)N(C)CCC#N)C1	ZINC000331150867	676718903	/nfs/dbraw/zinc/71/89/03/676718903.db2.gz	ZQMNTANUNGYGHR-AWEZNQCLSA-N	1	0	371.532	1.296	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H](C[NH+]2CCCCCC2)C1	ZINC000332249203	676738412	/nfs/dbraw/zinc/73/84/12/676738412.db2.gz	XQDKYEYXQMLYFZ-SJORKVTESA-N	1	0	350.507	1.975	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1	ZINC000332736628	676746452	/nfs/dbraw/zinc/74/64/52/676746452.db2.gz	YSBKMBZJWMGNCV-HNNXBMFYSA-N	1	0	364.515	1.749	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1	ZINC000333509496	676769786	/nfs/dbraw/zinc/76/97/86/676769786.db2.gz	DWQSTMFSIJMBJN-CVEARBPZSA-N	1	0	368.503	1.503	20	30		FDEDRO
COC(=O)[C@H]1CN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@H+](C)C1	ZINC000416733178	679717365	/nfs/dbraw/zinc/71/73/65/679717365.db2.gz	LLBVIYQOPJMQNH-GFCCVEGCSA-N	1	0	350.806	1.780	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H](S(=O)(=O)NC)C1)C(C)C	ZINC000362129030	676909303	/nfs/dbraw/zinc/90/93/03/676909303.db2.gz	JYJGOQVAEWZNCQ-JKSUJKDBSA-N	1	0	372.535	1.018	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H]2CSCN2C(=O)C2CCCC2)CC1	ZINC000363659915	676967651	/nfs/dbraw/zinc/96/76/51/676967651.db2.gz	KOIWYWNRTKQHOB-MRXNPFEDSA-N	1	0	351.516	1.845	20	30		FDEDRO
N#CC1(CCC[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)CCOCC1	ZINC000366855235	677470961	/nfs/dbraw/zinc/47/09/61/677470961.db2.gz	WMXZIVYTICSCJU-MRXNPFEDSA-N	1	0	355.504	1.587	20	30		FDEDRO
N#CC1(CCC[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)CCOCC1	ZINC000366869314	677471735	/nfs/dbraw/zinc/47/17/35/677471735.db2.gz	OLCVPDZUARNDPW-INIZCTEOSA-N	1	0	355.504	1.587	20	30		FDEDRO
O=C(NCC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1C[N@@H+]2CCN1CCC2	ZINC000367038761	677481428	/nfs/dbraw/zinc/48/14/28/677481428.db2.gz	QTNOAIYMPYDIKJ-INIZCTEOSA-N	1	0	351.372	1.563	20	30		FDEDRO
C[N@H+](Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2cccnc2C#N)C1	ZINC000373036130	678013168	/nfs/dbraw/zinc/01/31/68/678013168.db2.gz	PSNRGADGLXWJAV-INIZCTEOSA-N	1	0	356.451	1.848	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2nnc(-c3ccncc3F)s2)CC1	ZINC000373716742	678066660	/nfs/dbraw/zinc/06/66/60/678066660.db2.gz	XKQQTQZDUJEBCT-UHFFFAOYSA-N	1	0	359.430	1.701	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000376648614	678354473	/nfs/dbraw/zinc/35/44/73/678354473.db2.gz	KGGPEWAYIYDVEX-SJLPKXTDSA-N	1	0	364.515	1.824	20	30		FDEDRO
C=CCC[C@@H](O)C[NH+]1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000377544510	678558900	/nfs/dbraw/zinc/55/89/00/678558900.db2.gz	QEZKJIVRRCXDPA-DLBZAZTESA-N	1	0	353.507	1.941	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1	ZINC000377628597	678577932	/nfs/dbraw/zinc/57/79/32/678577932.db2.gz	OCFNQUMHPCQBBZ-ZBFHGGJFSA-N	1	0	352.385	1.311	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1	ZINC000377628593	678577996	/nfs/dbraw/zinc/57/79/96/678577996.db2.gz	OCFNQUMHPCQBBZ-GOEBONIOSA-N	1	0	352.385	1.311	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000377673650	678588847	/nfs/dbraw/zinc/58/88/47/678588847.db2.gz	MXJTUAYLJLJQEC-GDBMZVCRSA-N	1	0	368.840	1.826	20	30		FDEDRO
CC[NH+](CC)Cc1ccc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)cc1	ZINC000409558491	678859668	/nfs/dbraw/zinc/85/96/68/678859668.db2.gz	VINVCTOMRAMJKX-KRWDZBQOSA-N	1	0	366.487	1.087	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F	ZINC000409592754	678865576	/nfs/dbraw/zinc/86/55/76/678865576.db2.gz	RZFYKFZAFVRYSV-UHFFFAOYSA-N	1	0	374.457	1.809	20	30		FDEDRO
CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)N1CCO[C@@H](C#N)C1	ZINC000410149696	678886201	/nfs/dbraw/zinc/88/62/01/678886201.db2.gz	JSZOKRRDJUPENB-KRWDZBQOSA-N	1	0	366.487	1.039	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N1CCC(OCC[NH+]2CCCC2)CC1	ZINC000410150512	678886367	/nfs/dbraw/zinc/88/63/67/678886367.db2.gz	BZVVEUJTVGNPKE-UHFFFAOYSA-N	1	0	358.508	1.044	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(CCCC2(C#N)CCOCC2)CC1	ZINC000410344067	678889945	/nfs/dbraw/zinc/88/99/45/678889945.db2.gz	JSQBXQXIZLCJEF-UHFFFAOYSA-N	1	0	350.507	1.573	20	30		FDEDRO
C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1	ZINC000411395703	679027574	/nfs/dbraw/zinc/02/75/74/679027574.db2.gz	ZINSMEUVSFQKSH-GFCCVEGCSA-N	1	0	350.394	1.323	20	30		FDEDRO
CN(C)C(=O)[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1	ZINC000411930720	679099883	/nfs/dbraw/zinc/09/98/83/679099883.db2.gz	HBCBDSHPTSAVBK-AWEZNQCLSA-N	1	0	362.861	1.997	20	30		FDEDRO
CN(C(=O)C[N@H+](C)C(C)(C)CN1CCOCC1)C1(C#N)CCCCC1	ZINC000412083651	679153381	/nfs/dbraw/zinc/15/33/81/679153381.db2.gz	BFPXTGFNTWGFES-UHFFFAOYSA-N	1	0	350.507	1.714	20	30		FDEDRO
CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)[C@H]([NH3+])CCCC#N	ZINC000424141141	680830494	/nfs/dbraw/zinc/83/04/94/680830494.db2.gz	GVQZOFMIHHNHGA-CABCVRRESA-N	1	0	350.488	1.601	20	30		FDEDRO
C=CCOc1c(Br)cc(CN(C)C[C@H](O)C[NH3+])cc1OC	ZINC000415048520	679378627	/nfs/dbraw/zinc/37/86/27/679378627.db2.gz	CGAMQXZLBMFCMS-GFCCVEGCSA-N	1	0	359.264	1.774	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)C(=O)N(C)[C@@H](C)C[NH3+]	ZINC000415415245	679426770	/nfs/dbraw/zinc/42/67/70/679426770.db2.gz	HPWMMFVVKRAYMR-JTQLQIEISA-N	1	0	370.247	1.758	20	30		FDEDRO
CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000415426867	679428736	/nfs/dbraw/zinc/42/87/36/679428736.db2.gz	MLUPAUGAWOTYBW-LLVKDONJSA-N	1	0	354.357	1.588	20	30		FDEDRO
C[NH2+]C[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1	ZINC000415467525	679435116	/nfs/dbraw/zinc/43/51/16/679435116.db2.gz	VPKAQGLFTNYVFH-GFCCVEGCSA-N	1	0	358.833	2.471	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1	ZINC000415559866	679451708	/nfs/dbraw/zinc/45/17/08/679451708.db2.gz	FJYMGAHANAWXBY-VHSXEESVSA-N	1	0	365.231	1.455	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C	ZINC000415622712	679467199	/nfs/dbraw/zinc/46/71/99/679467199.db2.gz	LMTDKGDLCRWEQZ-VNHYZAJKSA-N	1	0	360.483	1.991	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)F)cc1C#N	ZINC000415784360	679500388	/nfs/dbraw/zinc/50/03/88/679500388.db2.gz	JGYFYMBUTXMDPM-GFCCVEGCSA-N	1	0	354.357	1.383	20	30		FDEDRO
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21	ZINC000415813334	679511998	/nfs/dbraw/zinc/51/19/98/679511998.db2.gz	FYGCSUVXQWNNBK-NFAWXSAZSA-N	1	0	358.467	1.840	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1	ZINC000416458672	679631168	/nfs/dbraw/zinc/63/11/68/679631168.db2.gz	QGRPYBRNEBJOEM-HNNXBMFYSA-N	1	0	351.472	1.535	20	30		FDEDRO
C[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc(C#N)c(Br)c2)C1	ZINC000416498011	679640562	/nfs/dbraw/zinc/64/05/62/679640562.db2.gz	VRYVFNUMVFOUTB-SNVBAGLBSA-N	1	0	358.261	1.551	20	30		FDEDRO
C[N@@H+]1CCC[C@H](CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1	ZINC000416552712	679652826	/nfs/dbraw/zinc/65/28/26/679652826.db2.gz	HWWPWKLXVLTOIM-GFCCVEGCSA-N	1	0	352.416	1.477	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@H](C[NH3+])CC(C)C)CC2)c1C#N	ZINC000418448465	680067399	/nfs/dbraw/zinc/06/73/99/680067399.db2.gz	SAJXFMJFLQHZRI-ZDUSSCGKSA-N	1	0	350.492	1.528	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1	ZINC000418569119	680092087	/nfs/dbraw/zinc/09/20/87/680092087.db2.gz	PILPZUQYLCQAMM-WFASDCNBSA-N	1	0	352.385	1.012	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1	ZINC000419670491	680313803	/nfs/dbraw/zinc/31/38/03/680313803.db2.gz	CWSGFQGUCSDNHA-WBMJQRKESA-N	1	0	351.397	1.814	20	30		FDEDRO
CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(C#N)c1Br	ZINC000419684360	680319989	/nfs/dbraw/zinc/31/99/89/680319989.db2.gz	WFJSSBZVJUOQCI-UHFFFAOYSA-N	1	0	353.220	1.279	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1	ZINC000420208508	680417760	/nfs/dbraw/zinc/41/77/60/680417760.db2.gz	UYFBTPXOUARPEL-LLVKDONJSA-N	1	0	357.863	1.021	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1	ZINC000420419138	680443526	/nfs/dbraw/zinc/44/35/26/680443526.db2.gz	HQVJRPUNDUYGLF-IYBDPMFKSA-N	1	0	363.483	1.223	20	30		FDEDRO
C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)CC[NH2+]1	ZINC000420430785	680447024	/nfs/dbraw/zinc/44/70/24/680447024.db2.gz	DTTCBPUAJINHIR-ONGXEEELSA-N	1	0	358.261	1.740	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1Br	ZINC000420434865	680448976	/nfs/dbraw/zinc/44/89/76/680448976.db2.gz	LCUDARCUFKNNBJ-PHIMTYICSA-N	1	0	356.245	1.161	20	30		FDEDRO
CN(CC(C)(C)C[NH3+])S(=O)(=O)c1cccc(Br)c1C#N	ZINC000420460662	680463486	/nfs/dbraw/zinc/46/34/86/680463486.db2.gz	RIZAPGSPJFMCBQ-UHFFFAOYSA-N	1	0	360.277	1.926	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1	ZINC000421097394	680599424	/nfs/dbraw/zinc/59/94/24/680599424.db2.gz	DBVQYQVABUNWSX-UKRRQHHQSA-N	1	0	364.471	1.930	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN(CC)C(=O)[C@@H]1C)C(C)C	ZINC000429939664	681057442	/nfs/dbraw/zinc/05/74/42/681057442.db2.gz	HNZAQUWZVHIKEZ-IRXDYDNUSA-N	1	0	350.507	1.947	20	30		FDEDRO
C=C(C)CS(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1	ZINC000435425292	681592430	/nfs/dbraw/zinc/59/24/30/681592430.db2.gz	YNUDQLBVKJVGPZ-UHFFFAOYSA-N	1	0	371.547	1.597	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNS(=O)(=O)c2ccc(C#N)s2)ccn1	ZINC000435438714	681594140	/nfs/dbraw/zinc/59/41/40/681594140.db2.gz	PQNKXCVRPJSCAC-UHFFFAOYSA-N	1	0	366.468	1.434	20	30		FDEDRO
C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1	ZINC000437411237	681787099	/nfs/dbraw/zinc/78/70/99/681787099.db2.gz	MUMZZOCUXQIPQS-AWEZNQCLSA-N	1	0	360.483	1.792	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1	ZINC000437934038	681822983	/nfs/dbraw/zinc/82/29/83/681822983.db2.gz	PCOIMMGDEKZVLU-WMZOPIPTSA-N	1	0	352.523	1.635	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](CC[NH3+])C2)c1	ZINC000440804949	682026141	/nfs/dbraw/zinc/02/61/41/682026141.db2.gz	WWFDSQMYHXKEEH-AWEZNQCLSA-N	1	0	351.472	1.352	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CC(C)(C)CN1CCOCC1	ZINC000443657506	682328806	/nfs/dbraw/zinc/32/88/06/682328806.db2.gz	MMORGTHVMDBKQL-LPHOPBHVSA-N	1	0	352.523	1.720	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1	ZINC000448975241	682654781	/nfs/dbraw/zinc/65/47/81/682654781.db2.gz	GMPZTEMGAWTUBW-ZFWWWQNUSA-N	1	0	360.845	1.775	20	30		FDEDRO
CC[NH+](CC)CCN(CCOC)S(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000451171031	682834508	/nfs/dbraw/zinc/83/45/08/682834508.db2.gz	HEYFUTSCBGDJOB-UHFFFAOYSA-N	1	0	371.478	1.817	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)CC(C)(C)CC#N)CCN1C1CC[NH+](C)CC1	ZINC000451360057	682869688	/nfs/dbraw/zinc/86/96/88/682869688.db2.gz	KAOYFUVIHDZFTI-OAHLLOKOSA-N	1	0	356.536	1.356	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1)[N@@H+]1CCCC[C@@H]1C	ZINC000453597996	683168208	/nfs/dbraw/zinc/16/82/08/683168208.db2.gz	KZRJTPFTBBOVMB-RYUDHWBXSA-N	1	0	363.849	1.924	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1	ZINC000459044277	684360657	/nfs/dbraw/zinc/36/06/57/684360657.db2.gz	QAEWTABLXLGQBB-KURKYZTESA-N	1	0	350.507	1.532	20	30		FDEDRO
CN(C)CC(C)(C)[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000459551597	684424278	/nfs/dbraw/zinc/42/42/78/684424278.db2.gz	SOJPLZSUJCRPGQ-HNNXBMFYSA-N	1	0	363.531	1.387	20	30		FDEDRO
Cc1nsc(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1C#N	ZINC000459553757	684424392	/nfs/dbraw/zinc/42/43/92/684424392.db2.gz	ISAMAWPSYHINDZ-LLVKDONJSA-N	1	0	350.448	1.032	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]C1CCN(S(=O)(=O)C(C)C)CC1	ZINC000461610025	684586919	/nfs/dbraw/zinc/58/69/19/684586919.db2.gz	PPQHWYAMHSUNHW-HNNXBMFYSA-N	1	0	359.536	1.592	20	30		FDEDRO
CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@H](C#N)C2)c1	ZINC000463291524	684682222	/nfs/dbraw/zinc/68/22/22/684682222.db2.gz	XFNZRWMDQCBKIR-MELADBBJSA-N	1	0	364.471	1.594	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1	ZINC000481044763	686285656	/nfs/dbraw/zinc/28/56/56/686285656.db2.gz	GEUZHTMFVWGSKB-UHFFFAOYSA-N	1	0	369.462	1.306	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC(CS(C)(=O)=O)CC2)CC1	ZINC000488848531	687063522	/nfs/dbraw/zinc/06/35/22/687063522.db2.gz	DRZBXCBVXNKJEY-UHFFFAOYSA-N	1	0	357.520	1.493	20	30		FDEDRO
Cc1ncc(S(=O)(=O)NCc2ccc(CC[NH+](C)C)cc2)cc1C#N	ZINC000489807585	687115303	/nfs/dbraw/zinc/11/53/03/687115303.db2.gz	GIWQJNGBXXZVMB-UHFFFAOYSA-N	1	0	358.467	1.844	20	30		FDEDRO
CC[C@]1(O)CC[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1	ZINC000495263835	687613951	/nfs/dbraw/zinc/61/39/51/687613951.db2.gz	VOROMETUJGJRJE-QAPCUYQASA-N	1	0	362.499	1.304	20	30		FDEDRO
CC#CCC[NH2+]C1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1	ZINC000499212061	687919222	/nfs/dbraw/zinc/91/92/22/687919222.db2.gz	OWTDOQQOHRVONH-UHFFFAOYSA-N	1	0	363.483	1.801	20	30		FDEDRO
COC(=O)[C@H]1CCCN(CCCC2(C#N)CCOCC2)[C@@H]1C(=O)OC	ZINC000499571923	687966694	/nfs/dbraw/zinc/96/66/94/687966694.db2.gz	GKKPEWHTLVXYQB-GJZGRUSLSA-N	1	0	352.431	1.514	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2nccs2)C1=O	ZINC000499695714	687979655	/nfs/dbraw/zinc/97/96/55/687979655.db2.gz	YSUGTJINGMVKFE-SOUVJXGZSA-N	1	0	352.479	1.774	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2nccs2)C1=O	ZINC000499695713	687979672	/nfs/dbraw/zinc/97/96/72/687979672.db2.gz	YSUGTJINGMVKFE-KKUMJFAQSA-N	1	0	352.479	1.774	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H]2CCC[C@H]2OC(F)F)CC1	ZINC000503525255	688364398	/nfs/dbraw/zinc/36/43/98/688364398.db2.gz	BPSMNZFKFMSENS-QLFBSQMISA-N	1	0	358.433	1.429	20	30		FDEDRO
CS[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C[C@H]1[NH+](C)C	ZINC000507092006	688612851	/nfs/dbraw/zinc/61/28/51/688612851.db2.gz	XWVRVVDURLRWAZ-XNJGSVPQSA-N	1	0	355.504	1.752	20	30		FDEDRO
COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)N(C)[C@@H](C)CC#N)c1	ZINC000509240444	689247788	/nfs/dbraw/zinc/24/77/88/689247788.db2.gz	PMAPWFPNQZUCFB-HNNXBMFYSA-N	1	0	368.503	1.538	20	30		FDEDRO
C=C(C)CS(=O)(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1	ZINC000510421072	689375895	/nfs/dbraw/zinc/37/58/95/689375895.db2.gz	IPHHUZLAWGMLJU-UHFFFAOYSA-N	1	0	351.516	1.642	20	30		FDEDRO
CC[C@H]1CCCCN1CC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000516175438	689925113	/nfs/dbraw/zinc/92/51/13/689925113.db2.gz	PEDFKEYDEJGBRB-INIZCTEOSA-N	1	0	350.488	1.581	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCc2ccc(F)cc2F)nc1	ZINC000516965694	690015082	/nfs/dbraw/zinc/01/50/82/690015082.db2.gz	ITKBIZXTPVRTRR-UHFFFAOYSA-N	1	0	351.378	1.837	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CCN(C(=O)N[C@@H]3C[NH2+]CCC3(F)F)C2)nc1	ZINC000517225737	690046624	/nfs/dbraw/zinc/04/66/24/690046624.db2.gz	HOXMXBWUMNVULW-QWHCGFSZSA-N	1	0	351.357	1.113	20	30		FDEDRO
CC[NH+](CC)C[C@H](C)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000519062361	690182169	/nfs/dbraw/zinc/18/21/69/690182169.db2.gz	NUZVTTYVNXZUCN-AWEZNQCLSA-N	1	0	351.472	1.320	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCCCS1(=O)=O	ZINC000519819332	690275348	/nfs/dbraw/zinc/27/53/48/690275348.db2.gz	CITXQHXKTCGWBG-IRXDYDNUSA-N	1	0	353.484	1.712	20	30		FDEDRO
C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)[C@H]1CCC[NH2+]C1	ZINC000521624885	694416783	/nfs/dbraw/zinc/41/67/83/694416783.db2.gz	KPRWMDZARPBBMQ-PWSUYJOCSA-N	1	0	372.288	1.987	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1	ZINC000528057323	694698451	/nfs/dbraw/zinc/69/84/51/694698451.db2.gz	GOFRXRFMALHCFX-GOSISDBHSA-N	1	0	363.483	1.479	20	30		FDEDRO
C[NH+](C)CCOC1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1	ZINC000525601041	694630086	/nfs/dbraw/zinc/63/00/86/694630086.db2.gz	IOLTUMRVKWYYKH-UHFFFAOYSA-N	1	0	355.435	1.429	20	30		FDEDRO
N#Cc1c(NC(=O)CC[NH+]2C[C@@H](CO)[C@H](CO)C2)sc2c1CCCC2	ZINC000528607838	694736271	/nfs/dbraw/zinc/73/62/71/694736271.db2.gz	QLYIRZQYVNGEPK-STQMWFEESA-N	1	0	363.483	1.360	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@H]1[NH+](C)C	ZINC000535619903	694907258	/nfs/dbraw/zinc/90/72/58/694907258.db2.gz	GBTABLMFBDEVTN-OLZOCXBDSA-N	1	0	359.904	1.878	20	30		FDEDRO
C=CC[N@@H+](CCOC)Cc1ccc(S(N)(=O)=O)c(Br)c1	ZINC000639100678	695428707	/nfs/dbraw/zinc/42/87/07/695428707.db2.gz	QJOKAOZZEFEQDS-UHFFFAOYSA-N	1	0	363.277	1.731	20	30		FDEDRO
CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1nc(Cl)ccc1C#N	ZINC001164616126	719015081	/nfs/dbraw/zinc/01/50/81/719015081.db2.gz	KLGDFLYVELKISN-WOPDTQHZSA-N	1	0	370.787	1.881	20	30		FDEDRO
CCOC(=O)C1CC[NH+](C2CCN(c3cc(C)nc(C#N)n3)CC2)CC1	ZINC001164616372	719027887	/nfs/dbraw/zinc/02/78/87/719027887.db2.gz	CFVTUPIQXIYSNN-UHFFFAOYSA-N	1	0	357.458	1.901	20	30		FDEDRO
CC(C)N(C)Cc1nn(-c2nc(C#N)c(C#N)nc2Cl)c2c1CC[NH2+]C2	ZINC001164682283	719624113	/nfs/dbraw/zinc/62/41/13/719624113.db2.gz	MFPPNZYLEZFMEP-UHFFFAOYSA-N	1	0	370.848	1.545	20	30		FDEDRO
Cc1nc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1C#N	ZINC001164740052	720702271	/nfs/dbraw/zinc/70/22/71/720702271.db2.gz	PJOMRESGXQBXEJ-QWHCGFSZSA-N	1	0	371.832	1.442	20	30		FDEDRO
N#Cc1cc2nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)ccc2[nH]1	ZINC001164739915	720752349	/nfs/dbraw/zinc/75/23/49/720752349.db2.gz	JSVOSBOUMAPBHQ-GJZGRUSLSA-N	1	0	361.409	1.566	20	30		FDEDRO
N#Cc1cncc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1	ZINC001164746218	720816725	/nfs/dbraw/zinc/81/67/25/720816725.db2.gz	YOKDHKSXGJTFNU-CGTJXYLNSA-N	1	0	364.457	1.319	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3ccc(Cl)c(C#N)n3)CC[C@H]2C1	ZINC001164848765	720837376	/nfs/dbraw/zinc/83/73/76/720837376.db2.gz	AYZFWEQNGQNBOW-BBRMVZONSA-N	1	0	350.850	1.780	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc(C)c3C#N)CC[C@H]2C1	ZINC001164856729	720857618	/nfs/dbraw/zinc/85/76/18/720857618.db2.gz	PBSWFJCRMRJGKY-ZFWWWQNUSA-N	1	0	365.865	1.484	20	30		FDEDRO
CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cnc(C#N)c(C#N)n1)[C@H]2C	ZINC001164864587	721007921	/nfs/dbraw/zinc/00/79/21/721007921.db2.gz	YHEFYOMXBZDRFK-ZDUSSCGKSA-N	1	0	350.430	1.838	20	30		FDEDRO
Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc(Cl)c4C#N)C[C@@H]3C2)cn1	ZINC001164761602	721093106	/nfs/dbraw/zinc/09/31/06/721093106.db2.gz	CCWFKIZHCWMJEM-KBPBESRZSA-N	1	0	357.849	1.693	20	30		FDEDRO
Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)ncc4C#N)C[C@@H]3C2)cn1	ZINC001164772531	721094809	/nfs/dbraw/zinc/09/48/09/721094809.db2.gz	UYMFCACKMBVJNP-ZFWWWQNUSA-N	1	0	357.849	1.693	20	30		FDEDRO
COc1cc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)ncc1C#N	ZINC001165009685	721730015	/nfs/dbraw/zinc/73/00/15/721730015.db2.gz	ZAPPSCFASVQUAQ-UHFFFAOYSA-N	1	0	357.458	1.485	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CCCC(=O)N2)C[C@H]1C	ZINC001104404283	782214082	/nfs/dbraw/zinc/21/40/82/782214082.db2.gz	FZCCGMJKYLCSHW-BRWVUGGUSA-N	1	0	351.491	1.322	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cncs2)C[C@H]1c1ccccc1	ZINC001211541682	782466920	/nfs/dbraw/zinc/46/69/20/782466920.db2.gz	BBGJRHCSSGLORU-JKSUJKDBSA-N	1	0	368.462	1.090	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N2C[C@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@H]32)CC1	ZINC000972142290	782479825	/nfs/dbraw/zinc/47/98/25/782479825.db2.gz	LWCGFPFKCHISIW-CRAIPNDOSA-N	1	0	369.469	1.291	20	30		FDEDRO
Cc1cccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)c1F	ZINC001104222941	769026936	/nfs/dbraw/zinc/02/69/36/769026936.db2.gz	GAOOEJYGSOMHPE-HUUCEWRRSA-N	1	0	360.433	1.462	20	30		FDEDRO
C[NH+]1CCC(CNc2c(C#N)nnc3ccccc32)(N2CCOCC2)CC1	ZINC000413484714	782757322	/nfs/dbraw/zinc/75/73/22/782757322.db2.gz	ULMGQXDDUWYBHW-UHFFFAOYSA-N	1	0	366.469	1.710	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCCN2CCCC2=O)C1	ZINC000969692180	770658086	/nfs/dbraw/zinc/65/80/86/770658086.db2.gz	LBOVYVNLXBLJJZ-JQHSSLGASA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C(N)=O)c2ccc(F)cc2)C1	ZINC001020604526	770979402	/nfs/dbraw/zinc/97/94/02/770979402.db2.gz	BKFSGZAFMFWWTC-OVYGPGRDSA-N	1	0	361.417	1.180	20	30		FDEDRO
C[C@H](NC(=O)[C@H]1CN(C)C[C@@H](C)O1)C1C[NH+](Cc2cccc(C#N)c2)C1	ZINC000969958171	771118978	/nfs/dbraw/zinc/11/89/78/771118978.db2.gz	JGZXAQDKQWXCDC-ZRGWGRIASA-N	1	0	356.470	1.214	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC000969973869	771145615	/nfs/dbraw/zinc/14/56/15/771145615.db2.gz	STPQPHHWLMYZFG-HLLBOEOZSA-N	1	0	370.453	1.159	20	30		FDEDRO
Cn1cc([C@@H]2C[C@H]2C(=O)NCCC[NH2+]Cc2ccc(OCC#N)cc2)cn1	ZINC001167102398	771229586	/nfs/dbraw/zinc/22/95/86/771229586.db2.gz	DGIJITJAVPYIPU-RBUKOAKNSA-N	1	0	367.453	1.722	20	30		FDEDRO
Cn1cc([C@@H]2C[C@H]2C(=O)N2CC[C@@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)cn1	ZINC000970039940	771241662	/nfs/dbraw/zinc/24/16/62/771241662.db2.gz	LOYLZRCNACNXRQ-FGTMMUONSA-N	1	0	367.428	1.925	20	30		FDEDRO
Cn1cc([C@@H]2C[C@H]2C(=O)NCCC[NH2+]Cc2ccc(C#N)c(F)c2)cn1	ZINC001167103679	771269592	/nfs/dbraw/zinc/26/95/92/771269592.db2.gz	VQANSSGNFFDLDU-DLBZAZTESA-N	1	0	355.417	1.830	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCCC[C@@H]2C)C1	ZINC001020728783	771309350	/nfs/dbraw/zinc/30/93/50/771309350.db2.gz	FCCOJAFNEIDVAI-WSRJKRBPSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)nnn3C)C1	ZINC001020729283	771311927	/nfs/dbraw/zinc/31/19/27/771311927.db2.gz	ZCQOFTOMLFCNGL-FPXQBCRKSA-N	1	0	369.469	1.686	20	30		FDEDRO
O=C(NCC#CCO)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1	ZINC000923771782	771385129	/nfs/dbraw/zinc/38/51/29/771385129.db2.gz	XLQPJIVTKQOKHR-UHFFFAOYSA-N	1	0	368.437	1.601	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C1	ZINC001104231715	771431693	/nfs/dbraw/zinc/43/16/93/771431693.db2.gz	NZBIBFMOGZIPMT-NVXWUHKLSA-N	1	0	356.532	1.874	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)c4ccccn4)[C@@H]3C2)CC1	ZINC001020938037	771591300	/nfs/dbraw/zinc/59/13/00/771591300.db2.gz	WPRRPVDKWWAJPT-PKOBYXMFSA-N	1	0	366.465	1.100	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C	ZINC000430393940	771763276	/nfs/dbraw/zinc/76/32/76/771763276.db2.gz	MZBNBZOZTBPVFB-XWTMOSNGSA-N	1	0	363.502	1.558	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(Cc3cccc(C#N)c3)C[C@@H]21	ZINC001083198796	771825883	/nfs/dbraw/zinc/82/58/83/771825883.db2.gz	QXKZKHJFHOYVRR-FUMNGEBKSA-N	1	0	367.449	1.561	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+][C@H](C)C(=O)NCCCC)CC1	ZINC001167277439	771856296	/nfs/dbraw/zinc/85/62/96/771856296.db2.gz	KHCYMFAERKBQSL-ZACQAIPSSA-N	1	0	365.518	1.758	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1	ZINC000430418024	771884505	/nfs/dbraw/zinc/88/45/05/771884505.db2.gz	NQEQMVNECLUZMF-ROUUACIJSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNS(=O)(=O)CC)C1	ZINC001104249753	771988972	/nfs/dbraw/zinc/98/89/72/771988972.db2.gz	AEUPLLNBXKZTCX-HZPDHXFCSA-N	1	0	359.536	1.356	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)CC(C)(C)C[NH+](C)C)cc1	ZINC000890886154	772029240	/nfs/dbraw/zinc/02/92/40/772029240.db2.gz	BNGGTWRPDKRQEY-UHFFFAOYSA-N	1	0	367.515	1.811	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1	ZINC000970268627	772223500	/nfs/dbraw/zinc/22/35/00/772223500.db2.gz	WSYJBTUHGORDMB-FUHIMQAGSA-N	1	0	365.518	1.397	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2O)CC1	ZINC000970336322	772361610	/nfs/dbraw/zinc/36/16/10/772361610.db2.gz	JSQWNXTXKDJXPR-MSOLQXFVSA-N	1	0	363.502	1.153	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4CCC[N@H+]4C)[C@@H]3C2)cc1	ZINC001021240915	772604266	/nfs/dbraw/zinc/60/42/66/772604266.db2.gz	QPEMNYKKQFHWKX-GBESFXJTSA-N	1	0	351.450	1.435	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ncc(OC)cc2F)C[C@H]1C	ZINC001104272170	772706411	/nfs/dbraw/zinc/70/64/11/772706411.db2.gz	RLJJNRRCHKVFQM-HUUCEWRRSA-N	1	0	363.433	1.567	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4ccnc4)cn3)[C@H]2C1	ZINC001083246071	783036317	/nfs/dbraw/zinc/03/63/17/783036317.db2.gz	XVPRVGZMRRASBN-ZWKOTPCHSA-N	1	0	353.426	1.369	20	30		FDEDRO
C[C@]1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)C[C@H]2C[C@H]2C1	ZINC001112488153	773158199	/nfs/dbraw/zinc/15/81/99/773158199.db2.gz	RCTJGQKQWJIQHQ-RQQUZUBOSA-N	1	0	358.486	1.281	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnoc1-c1cnn(C)c1)C2	ZINC001112488344	773179691	/nfs/dbraw/zinc/17/96/91/773179691.db2.gz	VRBOGTXTDXXJAP-KXBFYZLASA-N	1	0	353.426	1.540	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)CC[N@@H+]1C	ZINC001021404209	773207362	/nfs/dbraw/zinc/20/73/62/773207362.db2.gz	AFNPOXKFJNHMQA-YRBFXIGRSA-N	1	0	369.469	1.290	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCN1c1nccs1)C2	ZINC001112489268	773358861	/nfs/dbraw/zinc/35/88/61/773358861.db2.gz	UJNIMJPTXAFOIA-BXWFABGCSA-N	1	0	358.511	1.963	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1COCCN1CC(F)F)C2	ZINC001112492534	773697986	/nfs/dbraw/zinc/69/79/86/773697986.db2.gz	AMXWGZUKYWQXIU-DAYGRLMNSA-N	1	0	357.445	1.357	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1occ3c1CCC3)C2	ZINC001112492726	773708784	/nfs/dbraw/zinc/70/87/84/773708784.db2.gz	GHGAHYRXJDVHTM-KKSFZXQISA-N	1	0	371.481	1.902	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1COCCN1CC(F)F)C2	ZINC001112493085	773759117	/nfs/dbraw/zinc/75/91/17/773759117.db2.gz	NYPZLENWAFLRIG-BXWFABGCSA-N	1	0	371.472	1.747	20	30		FDEDRO
C[NH+]1CCC2(CCCN2C(=O)C(=O)Nc2cccc(OCC#N)c2)CC1	ZINC000785005095	773784248	/nfs/dbraw/zinc/78/42/48/773784248.db2.gz	NHKBHPDJGPRRKX-UHFFFAOYSA-N	1	0	356.426	1.614	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)CC)C1	ZINC001104293975	773877509	/nfs/dbraw/zinc/87/75/09/773877509.db2.gz	NQDWLNKVJYGUGZ-IAGOWNOFSA-N	1	0	360.502	1.840	20	30		FDEDRO
N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ncc(Br)cc1Br	ZINC000834500852	773963775	/nfs/dbraw/zinc/96/37/75/773963775.db2.gz	XFOLQDVVFLWOHU-RCOVLWMOSA-N	1	0	374.036	1.448	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1	ZINC001021587912	774090974	/nfs/dbraw/zinc/09/09/74/774090974.db2.gz	KQCOJHBXCKUXCM-GBESFXJTSA-N	1	0	357.498	1.580	20	30		FDEDRO
Cc1onc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1C#N	ZINC000891247953	774099916	/nfs/dbraw/zinc/09/99/16/774099916.db2.gz	IXTCGDMXEGQHSV-SFHVURJKSA-N	1	0	355.442	1.882	20	30		FDEDRO
C[C@@H](C(=O)N1CC[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21)[NH+]1CCCCCC1	ZINC001021635758	774318718	/nfs/dbraw/zinc/31/87/18/774318718.db2.gz	UCHJYUMSHKJJHC-YTQUADARSA-N	1	0	357.498	1.724	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2cnccc2C)C[C@H]1C	ZINC001104307746	774464374	/nfs/dbraw/zinc/46/43/74/774464374.db2.gz	JQMRRNADDYEJEJ-KZNAEPCWSA-N	1	0	370.497	1.145	20	30		FDEDRO
C#CC1(NC(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)CCCC1	ZINC000891311619	774623719	/nfs/dbraw/zinc/62/37/19/774623719.db2.gz	GKABPADCXANIID-UHFFFAOYSA-N	1	0	368.481	1.829	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CCS(=O)(=O)CC1	ZINC001087135967	774671946	/nfs/dbraw/zinc/67/19/46/774671946.db2.gz	GMXMZJNCPNENQL-FMKPAKJESA-N	1	0	355.504	1.188	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3nnc4ccccc4c3O)[C@H]2C1	ZINC001083211651	774722387	/nfs/dbraw/zinc/72/23/87/774722387.db2.gz	KEVLAOGXAZLZJJ-DLBZAZTESA-N	1	0	368.437	1.827	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)nn1CCC#N	ZINC000275980355	774804492	/nfs/dbraw/zinc/80/44/92/774804492.db2.gz	IJARITPQYAODLQ-OAHLLOKOSA-N	1	0	358.446	1.131	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1	ZINC001104317930	774855141	/nfs/dbraw/zinc/85/51/41/774855141.db2.gz	SXRGROQIAYBWPK-RHSMWYFYSA-N	1	0	356.470	1.644	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)C[C@H](c2ccccc2)N2CCOC2=O)CC1	ZINC000728307816	774867897	/nfs/dbraw/zinc/86/78/97/774867897.db2.gz	TZKDDEGEJAMFOM-MRXNPFEDSA-N	1	0	356.426	1.674	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C2CC2)[C@H]2CCCCO2)CC1	ZINC000656310641	774897093	/nfs/dbraw/zinc/89/70/93/774897093.db2.gz	BVZMBNIQHSSPAM-QZTJIDSGSA-N	1	0	363.502	1.607	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C[C@@H]4C=CCC4)[C@@H]3C2)CC1	ZINC000971261914	775557680	/nfs/dbraw/zinc/55/76/80/775557680.db2.gz	RDICDHFVMDXYKK-MISYRCLQSA-N	1	0	369.509	1.747	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C[C@@H](O)COc1ccc(C#N)cc1	ZINC000278809509	790402120	/nfs/dbraw/zinc/40/21/20/790402120.db2.gz	ZYYIOUWQSIPUAU-VQIMIIECSA-N	1	0	359.470	1.483	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2Cc3ccccc3N(C)C[C@@H]2C)CC1	ZINC000286640831	775962385	/nfs/dbraw/zinc/96/23/85/775962385.db2.gz	MZLQSJGAPLCOPX-INIZCTEOSA-N	1	0	370.497	1.620	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCCNC(=O)[C@H]2CC)c(OC)c1	ZINC000933222633	776220570	/nfs/dbraw/zinc/22/05/70/776220570.db2.gz	FIFVBXREANZNRV-IAGOWNOFSA-N	1	0	362.470	1.764	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CCO[C@@H]3CN(C/C=C/Cl)C[C@@H]32)cc1	ZINC001083217244	776459928	/nfs/dbraw/zinc/45/99/28/776459928.db2.gz	PAZPFAJOHZYHAL-IINIBRLJSA-N	1	0	360.841	1.976	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)CCC4CCC4)C[C@H]32)CC1	ZINC001021883238	776481917	/nfs/dbraw/zinc/48/19/17/776481917.db2.gz	BDVHRFMTXIHVMH-VQTJNVASSA-N	1	0	371.525	1.971	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H]2CCCNC2=O)C1	ZINC001075421317	777076552	/nfs/dbraw/zinc/07/65/52/777076552.db2.gz	ZFDVJTAWYCCVPW-BHIYHBOVSA-N	1	0	371.456	1.507	20	30		FDEDRO
C[N@@H+](CC(=O)NCCC1=CCCCC1)C[C@@H](O)CC1(C#N)CCOCC1	ZINC000933360012	777557251	/nfs/dbraw/zinc/55/72/51/777557251.db2.gz	TVKKCOJQDGLQFX-SFHVURJKSA-N	1	0	363.502	1.996	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)[C@H](C[NH2+]Cc2ccc(C#N)s2)C1	ZINC001087159881	777592466	/nfs/dbraw/zinc/59/24/66/777592466.db2.gz	LMHSIEOBQNIFFD-XUJVJEKNSA-N	1	0	362.455	1.445	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087160178	777632617	/nfs/dbraw/zinc/63/26/17/777632617.db2.gz	YDNRAXIRFLRZGD-XOKHGSTOSA-N	1	0	356.426	1.383	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)[C@@H]3C2)cc1	ZINC000971569291	777670896	/nfs/dbraw/zinc/67/08/96/777670896.db2.gz	MZKKSVPKCFCEIV-GUDVDZBRSA-N	1	0	351.450	1.435	20	30		FDEDRO
CC1(C)CC[C@@H](CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)[NH2+]C1	ZINC000891497061	778144120	/nfs/dbraw/zinc/14/41/20/778144120.db2.gz	AOPLTXUQBKKLEJ-KRWDZBQOSA-N	1	0	370.501	1.999	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N(C2CC2)C2CC[NH2+]CC2)c1	ZINC000647190324	778541968	/nfs/dbraw/zinc/54/19/68/778541968.db2.gz	URBFJSVTNVYBFH-UHFFFAOYSA-N	1	0	363.483	1.508	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCc2ccncc2)C[C@H]1C	ZINC001104374303	778559141	/nfs/dbraw/zinc/55/91/41/778559141.db2.gz	QTKXUQUUSRUPQC-ZHALLVOQSA-N	1	0	370.497	1.226	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3ncccc3C)[C@@H]2C1	ZINC000971724836	778862737	/nfs/dbraw/zinc/86/27/37/778862737.db2.gz	AJQVBAWBJQDGMV-FGTMMUONSA-N	1	0	366.465	1.161	20	30		FDEDRO
C#CC[C@@H](NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1	ZINC000891720860	779179639	/nfs/dbraw/zinc/17/96/39/779179639.db2.gz	PXNZMQOBPIFIFO-TVFCKZIOSA-N	1	0	368.437	1.328	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)C[N@H+]4CC[C@@H](C)C4)C[C@H]32)cn1	ZINC001022294816	779201627	/nfs/dbraw/zinc/20/16/27/779201627.db2.gz	XRZYIVMGAOXDSG-HHXXYDBFSA-N	1	0	366.465	1.078	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@H]32)cc1	ZINC001022336190	779445313	/nfs/dbraw/zinc/44/53/13/779445313.db2.gz	DVYXAVGQYPJVEL-XWPNQZOQSA-N	1	0	365.477	1.681	20	30		FDEDRO
N#Cc1csc(CNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)n1	ZINC000891806163	779514878	/nfs/dbraw/zinc/51/48/78/779514878.db2.gz	XSTJRVNCAYPJIU-UHFFFAOYSA-N	1	0	356.455	1.874	20	30		FDEDRO
C[NH+]=C(NCc1cc(OC)c(OC)cc1OC)N1CC[C@]2(CCOC2)C1	ZINC000261983398	780034007	/nfs/dbraw/zinc/03/40/07/780034007.db2.gz	PLPWVYOPZPOUCV-IBGZPJMESA-N	1	0	363.458	1.900	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cn[nH]n2)[C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC001087184867	780367720	/nfs/dbraw/zinc/36/77/20/780367720.db2.gz	HUJYUMRGMYONFG-DOMZBBRYSA-N	1	0	356.405	1.846	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cn[nH]n2)[C@H](C[NH2+]Cc2ccc(OCC#N)cc2)C1	ZINC001087185068	780370622	/nfs/dbraw/zinc/37/06/22/780370622.db2.gz	RSTNNOXGPMAOEJ-ZBFHGGJFSA-N	1	0	368.441	1.738	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2O)CC1	ZINC001025489268	790800257	/nfs/dbraw/zinc/80/02/57/790800257.db2.gz	JGGXXBXNYBANLU-BRWVUGGUSA-N	1	0	351.491	1.007	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)c2cnc3c(c2)NC(=O)CO3)C[C@H]1C	ZINC001104390040	780653202	/nfs/dbraw/zinc/65/32/02/780653202.db2.gz	DFJXCSJBUVLNQN-ZIAGYGMSSA-N	1	0	358.442	1.676	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCc2cccnc2)C[C@H]1C	ZINC001104392339	780764433	/nfs/dbraw/zinc/76/44/33/780764433.db2.gz	WIPUYTSYGILISZ-SJLPKXTDSA-N	1	0	358.486	1.391	20	30		FDEDRO
CCC1([NH+]2CCC2)CCN(C(=O)C(=O)Nc2ccc(C#N)cc2OC)CC1	ZINC000891967577	780880417	/nfs/dbraw/zinc/88/04/17/780880417.db2.gz	DFLXWCBHMBXEEH-UHFFFAOYSA-N	1	0	370.453	1.982	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cc(F)c[nH]2)C1=O	ZINC001087191393	780887857	/nfs/dbraw/zinc/88/78/57/780887857.db2.gz	LQZDHAVEWHBVQD-VNQPRFMTSA-N	1	0	362.449	1.771	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)CC1	ZINC000277216799	781116126	/nfs/dbraw/zinc/11/61/26/781116126.db2.gz	YMMLRKYFEXGSDI-HNNXBMFYSA-N	1	0	361.417	1.719	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnc4c(cnn4C)c3)[C@H]2C1	ZINC001083234383	781252860	/nfs/dbraw/zinc/25/28/60/781252860.db2.gz	AQDZHJVZDHKINY-DLBZAZTESA-N	1	0	355.442	1.460	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1	ZINC000431316624	781558247	/nfs/dbraw/zinc/55/82/47/781558247.db2.gz	DDWAGWNEBILXMG-WMZOPIPTSA-N	1	0	366.506	1.259	20	30		FDEDRO
C=CCCn1cc(C[NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)nn1	ZINC000657303780	781625648	/nfs/dbraw/zinc/62/56/48/781625648.db2.gz	QKQRBQDVCWXIEF-UHFFFAOYSA-N	1	0	360.462	1.589	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCOC(C)C)C[C@H]1c1ccccc1	ZINC001211537869	781753416	/nfs/dbraw/zinc/75/34/16/781753416.db2.gz	GEIFWBAVLPYDFE-RBUKOAKNSA-N	1	0	371.481	1.135	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)OCC)C[C@H]1c1ccccc1	ZINC001211537886	781763726	/nfs/dbraw/zinc/76/37/26/781763726.db2.gz	GUZACRHLIWBPBR-RYQLBKOJSA-N	1	0	359.470	1.298	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(COC)o2)C[C@H]1C	ZINC001104400470	781814456	/nfs/dbraw/zinc/81/44/56/781814456.db2.gz	IIFAERHURNWYIA-HUUCEWRRSA-N	1	0	363.458	1.416	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cc(OCC)no2)C[C@H]1C	ZINC001104425648	783376909	/nfs/dbraw/zinc/37/69/09/783376909.db2.gz	SJJLACMFURPMAQ-HUUCEWRRSA-N	1	0	351.447	1.964	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)Oc3ccccc3F)[C@H]2C1	ZINC001083248021	783426047	/nfs/dbraw/zinc/42/60/47/783426047.db2.gz	NZNNBTSYDREICE-YQVWRLOYSA-N	1	0	360.429	1.918	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1c1ccccc1	ZINC001211629250	783691228	/nfs/dbraw/zinc/69/12/28/783691228.db2.gz	GKFSWDUNDSDBSX-ZWKOTPCHSA-N	1	0	356.470	1.562	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@H+]3CCC)C2)CC1	ZINC001024120428	783757087	/nfs/dbraw/zinc/75/70/87/783757087.db2.gz	CKUDMPRFLCAEHN-KZNAEPCWSA-N	1	0	363.502	1.295	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CC(C)(F)F)C[C@H]21	ZINC000972835088	783902824	/nfs/dbraw/zinc/90/28/24/783902824.db2.gz	NMZKFFBBEKEKHQ-QLFBSQMISA-N	1	0	353.413	1.189	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)cc1	ZINC000414889364	790995608	/nfs/dbraw/zinc/99/56/08/790995608.db2.gz	SMYDEWDPQVVDMD-UHFFFAOYSA-N	1	0	364.405	1.338	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2nnnn2CCC)C1	ZINC001024164353	784152963	/nfs/dbraw/zinc/15/29/63/784152963.db2.gz	ANMBNKVSZGSYFQ-XHSDSOJGSA-N	1	0	362.478	1.002	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2nn(CC)nc2C)C1	ZINC001024164422	784153434	/nfs/dbraw/zinc/15/34/34/784153434.db2.gz	BZUZLHIDYOCZLE-JZXOWHBKSA-N	1	0	361.490	1.526	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2nnc(CC)n2C)C1	ZINC001024165499	784173643	/nfs/dbraw/zinc/17/36/43/784173643.db2.gz	PTORRLYSTSBFEB-OAGGEKHMSA-N	1	0	361.490	1.297	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCS(N)(=O)=O)C2	ZINC001112520554	784214646	/nfs/dbraw/zinc/21/46/46/784214646.db2.gz	KSGBOLWRQGQTRQ-RDJZCZTQSA-N	1	0	357.520	1.240	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(=O)NCC)C1	ZINC001112520594	784214712	/nfs/dbraw/zinc/21/47/12/784214712.db2.gz	MQZXWYDQDHRSPA-KXBFYZLASA-N	1	0	364.490	1.407	20	30		FDEDRO
Cn1cc(CCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(C#N)s2)nn1	ZINC001111518807	784257645	/nfs/dbraw/zinc/25/76/45/784257645.db2.gz	ADDFITBRWINPSH-XYPHTWIQSA-N	1	0	370.482	1.603	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2nncs2)C1	ZINC001024195734	784307749	/nfs/dbraw/zinc/30/77/49/784307749.db2.gz	GBSNQQAACYKRAV-DZKIICNBSA-N	1	0	350.488	1.848	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1conc1C)C2	ZINC001112521107	784490338	/nfs/dbraw/zinc/49/03/38/784490338.db2.gz	OADFPCAAPDLSCJ-VCBZYWHSSA-N	1	0	360.458	1.506	20	30		FDEDRO
CCC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1)C(C)C	ZINC001104742860	791048604	/nfs/dbraw/zinc/04/86/04/791048604.db2.gz	PHNAUBHVBZJMRB-BRWVUGGUSA-N	1	0	350.507	1.773	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1	ZINC001024462036	784758086	/nfs/dbraw/zinc/75/80/86/784758086.db2.gz	FTJLGGRXWBQDAG-HZPDHXFCSA-N	1	0	356.426	1.156	20	30		FDEDRO
O=C(NCC#CCO)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1	ZINC000923776175	784823073	/nfs/dbraw/zinc/82/30/73/784823073.db2.gz	DNKRHQLUWVZSPH-UHFFFAOYSA-N	1	0	356.470	1.014	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C)CCCCC1)C2	ZINC001112522279	784996954	/nfs/dbraw/zinc/99/69/54/784996954.db2.gz	OTQXAIBDPNWCNW-UWJYYQICSA-N	1	0	359.514	1.925	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(F)c[nH]2)C[C@H]1c1ccccc1	ZINC001211634847	785363004	/nfs/dbraw/zinc/36/30/04/785363004.db2.gz	JGUNNIAYQQYSPD-FUHWJXTLSA-N	1	0	368.412	1.101	20	30		FDEDRO
CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1	ZINC000375970133	785409298	/nfs/dbraw/zinc/40/92/98/785409298.db2.gz	UMBGBQWTUBCPRA-SJLPKXTDSA-N	1	0	367.453	1.896	20	30		FDEDRO
C=CC[C@@H](Cc1ccccc1)NC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O	ZINC000413834254	785494947	/nfs/dbraw/zinc/49/49/47/785494947.db2.gz	LPCSYDZWJGVODO-ZWKOTPCHSA-N	1	0	358.486	1.813	20	30		FDEDRO
C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1	ZINC001024650842	785619305	/nfs/dbraw/zinc/61/93/05/785619305.db2.gz	NYNYPXTWFMMRNJ-FGTMMUONSA-N	1	0	361.486	1.150	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)cc1	ZINC001024655754	785633441	/nfs/dbraw/zinc/63/34/41/785633441.db2.gz	BEAGQEPYQWXDAH-QYZOEREBSA-N	1	0	368.481	1.931	20	30		FDEDRO
C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC001024701432	785780020	/nfs/dbraw/zinc/78/00/20/785780020.db2.gz	CKQNTBJVZADJPS-JENIJYKNSA-N	1	0	354.454	1.205	20	30		FDEDRO
COC(=O)[C@@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)CC[N@H+](C)C1	ZINC000413925893	785829275	/nfs/dbraw/zinc/82/92/75/785829275.db2.gz	VMCSCNJEYLHPSC-KRWDZBQOSA-N	1	0	373.453	1.671	20	30		FDEDRO
CCOC[C@@H]1CC[N@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000177630661	785911399	/nfs/dbraw/zinc/91/13/99/785911399.db2.gz	FGCLDPSPMVHWLS-QGZVFWFLSA-N	1	0	356.426	1.638	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1	ZINC000947650093	786833111	/nfs/dbraw/zinc/83/31/11/786833111.db2.gz	PTEBSWJWSGVCEL-IXDOHACOSA-N	1	0	351.491	1.271	20	30		FDEDRO
C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000662086776	805784379	/nfs/dbraw/zinc/78/43/79/805784379.db2.gz	XWCPAROZYWQFTG-IYBDPMFKSA-N	1	0	363.483	1.176	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001067539188	787609948	/nfs/dbraw/zinc/60/99/48/787609948.db2.gz	GRPUIASSEUPBCC-VQHPVUNQSA-N	1	0	351.491	1.225	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cn2nnnc2C(C)C)C[C@H]1c1ccccc1	ZINC001211684159	805809286	/nfs/dbraw/zinc/80/92/86/805809286.db2.gz	LEBWARKMQXRMDC-ZWKOTPCHSA-N	1	0	368.485	1.957	20	30		FDEDRO
N#Cc1ccccc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1	ZINC001025084558	787781599	/nfs/dbraw/zinc/78/15/99/787781599.db2.gz	CRKBRFCHJUMOAG-FGTMMUONSA-N	1	0	370.453	1.062	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1CC[NH2+]CC#Cc1ccccc1	ZINC001104557760	787832833	/nfs/dbraw/zinc/83/28/33/787832833.db2.gz	VGTUDMFSAGANFH-RLLQIKCJSA-N	1	0	367.493	1.591	20	30		FDEDRO
N#Cc1cc(NC[C@]2(N3CCOCC3)CCCOC2)cc(N)c1[N+](=O)[O-]	ZINC000376452779	787857901	/nfs/dbraw/zinc/85/79/01/787857901.db2.gz	CEZJKQZZFNMQLR-QGZVFWFLSA-N	1	0	361.402	1.342	20	30		FDEDRO
O=C(NCC12CC(C1)C[NH2+]2)C(=O)Nc1cccc(C#Cc2cccs2)c1	ZINC000659105651	788023220	/nfs/dbraw/zinc/02/32/20/788023220.db2.gz	UBNMACMCGSVOFQ-UHFFFAOYSA-N	1	0	365.458	1.955	20	30		FDEDRO
[NH3+][C@@H]1CN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC[C@H]1F	ZINC000659109883	788056332	/nfs/dbraw/zinc/05/63/32/788056332.db2.gz	QCBDJASXGUYRGE-QZTJIDSGSA-N	1	0	366.396	1.318	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1	ZINC000978867066	805852782	/nfs/dbraw/zinc/85/27/82/805852782.db2.gz	PSTMUOWGLLYNKX-AVEIZBFRSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1	ZINC000978874488	805870895	/nfs/dbraw/zinc/87/08/95/805870895.db2.gz	LJHGIARGKZCEHJ-GJGATLCTSA-N	1	0	363.502	1.320	20	30		FDEDRO
Cn1ncnc1CN1C[C@@H]2CCC[C@]2(NC(=O)CC#Cc2ccccc2)C1	ZINC001111999703	788513208	/nfs/dbraw/zinc/51/32/08/788513208.db2.gz	XBYFLHJXFXOXEZ-RXVVDRJESA-N	1	0	363.465	1.728	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCN(CC(F)(F)F)C2)C[C@H]1C	ZINC001104590308	788768851	/nfs/dbraw/zinc/76/88/51/788768851.db2.gz	LPJNJIZYQDYTEN-BZUAXINKSA-N	1	0	359.436	1.968	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC[C@@H]2CCCO2)C1	ZINC001104606729	788847556	/nfs/dbraw/zinc/84/75/56/788847556.db2.gz	CIJRSACJUAXQAV-KURKYZTESA-N	1	0	365.518	1.712	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC(=O)NCC)C1	ZINC001104607535	788848336	/nfs/dbraw/zinc/84/83/36/788848336.db2.gz	YKHFEQWNXGSVBE-OWCLPIDISA-N	1	0	366.506	1.651	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)Cc3c(C)nn(C)c3C)[C@H]2C1	ZINC001083280472	788998381	/nfs/dbraw/zinc/99/83/81/788998381.db2.gz	SQSTXWDUTDIBSM-MDASCCDHSA-N	1	0	360.502	1.703	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2CCC(=C)CC2)C[C@H]1C	ZINC001104631710	789059515	/nfs/dbraw/zinc/05/95/15/789059515.db2.gz	XQTPQHOJAHXDPO-ZIFCJYIRSA-N	1	0	359.514	1.945	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)C[C@H]1c1ccccc1	ZINC001211688210	805940409	/nfs/dbraw/zinc/94/04/09/805940409.db2.gz	QYSRLBWAQNMUKV-CEXWTWQISA-N	1	0	371.481	1.442	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ocnc2CC)C[C@H]1C	ZINC001104659654	789181824	/nfs/dbraw/zinc/18/18/24/789181824.db2.gz	ROTZLMMXMKZOGY-QLFBSQMISA-N	1	0	360.458	1.063	20	30		FDEDRO
C#C[C@H]1CCCCN1C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000892702728	789516966	/nfs/dbraw/zinc/51/69/66/789516966.db2.gz	IGXPEMNBFAXETQ-SFHVURJKSA-N	1	0	356.470	1.675	20	30		FDEDRO
C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000377230098	791309540	/nfs/dbraw/zinc/30/95/40/791309540.db2.gz	YPDPBXGDZLIMTJ-AQNXPRMDSA-N	1	0	355.482	1.862	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C)CC=CC1)C2	ZINC001112522876	791770701	/nfs/dbraw/zinc/77/07/01/791770701.db2.gz	SARHRIFXCHZRHB-WWMYMODYSA-N	1	0	357.498	1.699	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)cc1	ZINC000415265428	791783170	/nfs/dbraw/zinc/78/31/70/791783170.db2.gz	DUTLITIHZHAFKY-INIZCTEOSA-N	1	0	370.453	1.389	20	30		FDEDRO
CCc1nc(CN2C[C@@H]3C[N@@H+](CCOc4cccc(C#N)c4)C[C@@H]3C2)no1	ZINC000377431902	791816937	/nfs/dbraw/zinc/81/69/37/791816937.db2.gz	KUJCIELLKHRDON-CALCHBBNSA-N	1	0	367.453	1.946	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@H]21	ZINC001025790844	792042170	/nfs/dbraw/zinc/04/21/70/792042170.db2.gz	ZBAMTJHYFHKPFY-NADOGSGZSA-N	1	0	356.466	1.748	20	30		FDEDRO
C=CCNC(=O)COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2	ZINC000892959204	792197311	/nfs/dbraw/zinc/19/73/11/792197311.db2.gz	WGUTVFJVGXJLMK-PXNSSMCTSA-N	1	0	358.438	1.371	20	30		FDEDRO
CCC[C@H]1C[NH2+]CCN1C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1	ZINC000415436433	792269972	/nfs/dbraw/zinc/26/99/72/792269972.db2.gz	JPBLWNSVQLLDGK-AWEZNQCLSA-N	1	0	356.405	2.489	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1C#N	ZINC000415451325	792285924	/nfs/dbraw/zinc/28/59/24/792285924.db2.gz	SJEXKUZPXJZHIP-UONOGXRCSA-N	1	0	358.442	1.870	20	30		FDEDRO
CC[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1	ZINC000415483126	792338559	/nfs/dbraw/zinc/33/85/59/792338559.db2.gz	YDIVQLGQHDXGDE-UHFFFAOYSA-N	1	0	359.474	1.901	20	30		FDEDRO
C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000415498434	792375924	/nfs/dbraw/zinc/37/59/24/792375924.db2.gz	QHWIKGVLNAVURW-GFCCVEGCSA-N	1	0	370.331	1.606	20	30		FDEDRO
C[NH+](C)CCOc1cccc(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1	ZINC000377664641	792456051	/nfs/dbraw/zinc/45/60/51/792456051.db2.gz	AWIQQGZZWPATLQ-GOSISDBHSA-N	1	0	371.485	1.509	20	30		FDEDRO
N#Cc1cc(Oc2ccc(NC(=O)C(=O)NCC3([NH3+])CCC3)cc2)ccn1	ZINC000415558020	792525270	/nfs/dbraw/zinc/52/52/70/792525270.db2.gz	IFMLAWFFQZLPLD-UHFFFAOYSA-N	1	0	365.393	1.682	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1	ZINC000415578692	792589727	/nfs/dbraw/zinc/58/97/27/792589727.db2.gz	IWTAKTGCKDIVDZ-HRCADAONSA-N	1	0	370.453	1.870	20	30		FDEDRO
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@H](C)CC[NH3+]	ZINC000415581032	792595548	/nfs/dbraw/zinc/59/55/48/792595548.db2.gz	RXGHDPBBUXVCHE-CYBMUJFWSA-N	1	0	367.409	1.846	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000377734171	792672784	/nfs/dbraw/zinc/67/27/84/792672784.db2.gz	HATJQSHSBNERPV-FQEVSTJZSA-N	1	0	372.513	1.791	20	30		FDEDRO
C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000415646918	792742409	/nfs/dbraw/zinc/74/24/09/792742409.db2.gz	DRQXPLHHIPZWAS-CABZTGNLSA-N	1	0	370.331	1.510	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000377770799	792760452	/nfs/dbraw/zinc/76/04/52/792760452.db2.gz	QHVOXOXMHAUCNJ-QZTJIDSGSA-N	1	0	356.470	1.452	20	30		FDEDRO
C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c1	ZINC000415712177	792854258	/nfs/dbraw/zinc/85/42/58/792854258.db2.gz	QJDCKYITAFFYPA-QGZVFWFLSA-N	1	0	372.469	1.086	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1	ZINC000415738123	792902555	/nfs/dbraw/zinc/90/25/55/792902555.db2.gz	DIFCYYCOCKOTJO-NEPJUHHUSA-N	1	0	364.352	1.166	20	30		FDEDRO
CCCCCCCCOCC(=O)N1CCO[C@H](CN2CC[NH+](C)CC2)C1	ZINC000377860719	792952970	/nfs/dbraw/zinc/95/29/70/792952970.db2.gz	LIAJADULJVFLNG-LJQANCHMSA-N	1	0	369.550	1.838	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1C#N	ZINC000415772364	792957430	/nfs/dbraw/zinc/95/74/30/792957430.db2.gz	TVGDIOUWBLAJBF-CZUORRHYSA-N	1	0	356.426	1.494	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1	ZINC000415769513	792967490	/nfs/dbraw/zinc/96/74/90/792967490.db2.gz	PSSLLINDRHVTTM-UHFFFAOYSA-N	1	0	370.453	1.886	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCN(C(C)(C)C)C3=O)C[C@H]21	ZINC001026056765	793032563	/nfs/dbraw/zinc/03/25/63/793032563.db2.gz	AAYRFUJJEIJADK-JHMPBIJASA-N	1	0	361.486	1.023	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(C(C)C)no2)C[C@H]1C	ZINC001104752907	793109158	/nfs/dbraw/zinc/10/91/58/793109158.db2.gz	PTJAINKYWSKIJX-HUUCEWRRSA-N	1	0	362.474	1.788	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)ccc1OC(F)(F)F	ZINC000415843025	793159019	/nfs/dbraw/zinc/15/90/19/793159019.db2.gz	RWZJMGCQPYMDDK-GXSJLCMTSA-N	1	0	370.331	1.639	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1	ZINC000415902362	793329948	/nfs/dbraw/zinc/32/99/48/793329948.db2.gz	YCCJIEKNIIEXMX-NWDGAFQWSA-N	1	0	364.352	1.166	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC)C1	ZINC001104775106	793577235	/nfs/dbraw/zinc/57/72/35/793577235.db2.gz	ZSZSXJXYCPULHO-CBZIJGRNSA-N	1	0	351.491	1.178	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nccn2C)C1	ZINC001104782514	793632587	/nfs/dbraw/zinc/63/25/87/793632587.db2.gz	GDMPIEYXRONSSG-VXNCWWDNSA-N	1	0	360.502	1.976	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CCCS(C)(=O)=O)C[C@H]1C	ZINC001104786939	793661597	/nfs/dbraw/zinc/66/15/97/793661597.db2.gz	XSYPDHUWLTWGAS-HZPDHXFCSA-N	1	0	360.520	1.088	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccnc(C)c2)C[C@H]1C	ZINC001104816943	793873430	/nfs/dbraw/zinc/87/34/30/793873430.db2.gz	QLVYKWYFSXPDFQ-QGPMSJSTSA-N	1	0	358.486	1.769	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cc3ncccn3n2)C[C@H]1C	ZINC001104820783	793898177	/nfs/dbraw/zinc/89/81/77/793898177.db2.gz	KEWUKTBRRPROKN-HZPDHXFCSA-N	1	0	357.458	1.620	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CCOCC(C)C)C[C@H]1C(F)(F)F	ZINC001112054417	793947086	/nfs/dbraw/zinc/94/70/86/793947086.db2.gz	ZDMHRFTWGXHSRY-HUUCEWRRSA-N	1	0	364.408	1.678	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)Cn2c(C)cc(C)nc2=O)C[C@H]1C	ZINC001104842842	794020484	/nfs/dbraw/zinc/02/04/84/794020484.db2.gz	UVVMRDLMTCFIKU-CRAIPNDOSA-N	1	0	360.502	1.901	20	30		FDEDRO
C[C@H]1CN(C(=O)Cc2cccc(OCC#N)c2)CCN1C1CC[NH+](C)CC1	ZINC000378364458	794022506	/nfs/dbraw/zinc/02/25/06/794022506.db2.gz	BMSGLNFNAUTPCT-KRWDZBQOSA-N	1	0	370.497	1.758	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cn(C[C@H]3CCOC3)nn2)C[C@H]1C	ZINC001104852525	794077389	/nfs/dbraw/zinc/07/73/89/794077389.db2.gz	SJFQFDXMWLZXAW-BRWVUGGUSA-N	1	0	359.474	1.026	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2c[nH]cc2C2CC2)C[C@H]1C	ZINC001104853756	794080281	/nfs/dbraw/zinc/08/02/81/794080281.db2.gz	LKMDTZJWJNXQNJ-GDBMZVCRSA-N	1	0	356.470	1.329	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cnoc2C2CC2)C[C@H]1C	ZINC001104863576	794120269	/nfs/dbraw/zinc/12/02/69/794120269.db2.gz	WAQVIYDCKZAHJM-UKRRQHHQSA-N	1	0	360.458	1.542	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)NCc2nc(C#N)cs2)CC1	ZINC000893240324	794155832	/nfs/dbraw/zinc/15/58/32/794155832.db2.gz	ZNUHEVDMFGFIBW-CYBMUJFWSA-N	1	0	350.492	1.088	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H](OC)C(F)(F)F)C[C@H]1C	ZINC001104879024	794187105	/nfs/dbraw/zinc/18/71/05/794187105.db2.gz	BGGRZEVWERRXJO-RBSFLKMASA-N	1	0	364.408	1.678	20	30		FDEDRO
CC(C)C[C@H](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104894656	794253476	/nfs/dbraw/zinc/25/34/76/794253476.db2.gz	JJLYBVWPPGFSMY-GVDBMIGSSA-N	1	0	350.507	1.773	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104896793	794279922	/nfs/dbraw/zinc/27/99/22/794279922.db2.gz	PAQVVUVJCDHJSR-CHWSQXEVSA-N	1	0	356.417	1.136	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cnc(OCC3CC3)cn2)C[C@H]1C	ZINC001104902362	794310679	/nfs/dbraw/zinc/31/06/79/794310679.db2.gz	QAAMVJNELCTYEC-NVXWUHKLSA-N	1	0	356.470	1.977	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1	ZINC000236681193	794388243	/nfs/dbraw/zinc/38/82/43/794388243.db2.gz	WPCGXPONDSXTMW-VQIMIIECSA-N	1	0	371.481	1.972	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cncn3C)C2)nc1	ZINC001104923476	794417031	/nfs/dbraw/zinc/41/70/31/794417031.db2.gz	GATLMYFTFVIYFS-NVXWUHKLSA-N	1	0	351.454	1.684	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnnn3C)C2)nc1	ZINC001104924365	794422072	/nfs/dbraw/zinc/42/20/72/794422072.db2.gz	LQHHPKPZKDEIOD-GDBMZVCRSA-N	1	0	352.442	1.079	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC3CC3)C2)cn1	ZINC001104927558	794434430	/nfs/dbraw/zinc/43/44/30/794434430.db2.gz	IZSKLAKJOWZSNB-CRAIPNDOSA-N	1	0	368.481	1.277	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nncn3C)C2)cn1	ZINC001104927562	794434728	/nfs/dbraw/zinc/43/47/28/794434728.db2.gz	JSPNPEJVOUBOJN-GDBMZVCRSA-N	1	0	352.442	1.079	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cn(C)nc3C)C2)cn1	ZINC001104927712	794435649	/nfs/dbraw/zinc/43/56/49/794435649.db2.gz	QFSZVAWXOVIUNS-CRAIPNDOSA-N	1	0	365.481	1.993	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](CCCC)C(N)=O)C2)cn1	ZINC001104927801	794436727	/nfs/dbraw/zinc/43/67/27/794436727.db2.gz	UVSULUDMRJYYMU-SUMDDJOVSA-N	1	0	370.497	1.795	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1)c1ccccc1	ZINC001104929310	794444490	/nfs/dbraw/zinc/44/44/90/794444490.db2.gz	NVXYTQFECAWMQB-JFIYKMOQSA-N	1	0	356.470	1.504	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C)cc2)C[C@H]1C	ZINC001104944390	794505720	/nfs/dbraw/zinc/50/57/20/794505720.db2.gz	BPYIYWSWMMREKV-ZIFCJYIRSA-N	1	0	355.482	1.821	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](CC)C(N)=O)C2)CCOCC1	ZINC001104959581	794593807	/nfs/dbraw/zinc/59/38/07/794593807.db2.gz	HVAICBCZSLXYIA-BRWVUGGUSA-N	1	0	365.518	1.697	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1	ZINC000416762685	794607171	/nfs/dbraw/zinc/60/71/71/794607171.db2.gz	BAUITEDNXRODNS-CQSZACIVSA-N	1	0	360.414	1.525	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1	ZINC000974172325	794617225	/nfs/dbraw/zinc/61/72/25/794617225.db2.gz	ZUAGMWWNPVFWTP-MHORFTMASA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1	ZINC000974180136	794638341	/nfs/dbraw/zinc/63/83/41/794638341.db2.gz	LSCPWDFOQZWRNF-ZMMAXQRCSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@H]1C	ZINC001104973126	794676658	/nfs/dbraw/zinc/67/66/58/794676658.db2.gz	GIINNNQISDVPLT-IIAWOOMASA-N	1	0	360.458	1.166	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC[C@@H]2CCOC2)C1	ZINC001112069530	794726690	/nfs/dbraw/zinc/72/66/90/794726690.db2.gz	BZDXCBDLMTUUKP-MGPQQGTHSA-N	1	0	350.381	1.595	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C	ZINC001104987414	794745251	/nfs/dbraw/zinc/74/52/51/794745251.db2.gz	QXIQTZPPVGIJCQ-BZUAXINKSA-N	1	0	364.490	1.309	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2sc(C)nc2C)C[C@H]1C	ZINC001104988777	794749095	/nfs/dbraw/zinc/74/90/95/794749095.db2.gz	IXHIWTPYIFYSSG-IUODEOHRSA-N	1	0	362.499	1.197	20	30		FDEDRO
C[C@@H]1CN(C(=O)Nc2ncccc2OCCCC#N)[C@H](C)CN1CCO	ZINC000416987667	794867237	/nfs/dbraw/zinc/86/72/37/794867237.db2.gz	BRGCSUIYSAPZSM-HUUCEWRRSA-N	1	0	361.446	1.683	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCCn2cccn2)C[C@H]1C	ZINC001105027401	794973299	/nfs/dbraw/zinc/97/32/99/794973299.db2.gz	QKWCZTUMIMNCGB-IAGOWNOFSA-N	1	0	361.490	1.040	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)c2ccccn2)C[C@H]1C	ZINC001105048956	795062635	/nfs/dbraw/zinc/06/26/35/795062635.db2.gz	PSAAUHUNXZDTRL-IAGOWNOFSA-N	1	0	358.486	1.852	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCC(C#N)CC1	ZINC000511611840	795077057	/nfs/dbraw/zinc/07/70/57/795077057.db2.gz	NBMOPKZKKFEFOX-CRAIPNDOSA-N	1	0	354.454	1.385	20	30		FDEDRO
C=CCc1cc(CNC(=O)NC[C@H]2C[NH2+]CCCO2)cc(OC)c1OC	ZINC000417399758	795186076	/nfs/dbraw/zinc/18/60/76/795186076.db2.gz	ZVCGGAUFJKJYNV-MRXNPFEDSA-N	1	0	363.458	1.610	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCn2nc(C)nc2C)C1	ZINC001105090050	795233064	/nfs/dbraw/zinc/23/30/64/795233064.db2.gz	GWNVGGWQYQLVER-IIDMSEBBSA-N	1	0	363.506	1.560	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(C)(C)C)C1	ZINC001105090162	795233774	/nfs/dbraw/zinc/23/37/74/795233774.db2.gz	LTYHPNQGNARVPZ-BZUAXINKSA-N	1	0	353.507	1.566	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCCC2=O)C1	ZINC001105090847	795238273	/nfs/dbraw/zinc/23/82/73/795238273.db2.gz	LSGHCCXNMXMJIA-BRWVUGGUSA-N	1	0	351.491	1.274	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2csc(COC)n2)C[C@H]1C	ZINC001105098575	795285439	/nfs/dbraw/zinc/28/54/39/795285439.db2.gz	HNQZLFPMDKMDEL-HUUCEWRRSA-N	1	0	365.499	1.627	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc3n(c2)CCCC3)C[C@H]1C	ZINC001105124207	795357240	/nfs/dbraw/zinc/35/72/40/795357240.db2.gz	RHYKOXODHKIYBM-IAGOWNOFSA-N	1	0	370.497	1.262	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@@H]3CCC[C@H]([NH3+])C3)C2=O)cc1	ZINC000417987966	795447827	/nfs/dbraw/zinc/44/78/27/795447827.db2.gz	GSDLIQHUHDIUSD-RYRKJORJSA-N	1	0	369.469	1.870	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1	ZINC001112086738	795465620	/nfs/dbraw/zinc/46/56/20/795465620.db2.gz	QLXNXZPPOXJGFE-ZIAGYGMSSA-N	1	0	350.381	1.168	20	30		FDEDRO
CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000418075951	795511798	/nfs/dbraw/zinc/51/17/98/795511798.db2.gz	HUPRDSYXRYOBGT-MSOLQXFVSA-N	1	0	371.485	1.674	20	30		FDEDRO
C=CCCCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1	ZINC001105235725	795519869	/nfs/dbraw/zinc/51/98/69/795519869.db2.gz	PVYDXLRWRGGALK-HZPDHXFCSA-N	1	0	362.434	1.163	20	30		FDEDRO
C=CCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCO[C@H]3C=C)C2)nn1	ZINC001105242678	795526785	/nfs/dbraw/zinc/52/67/85/795526785.db2.gz	CUOMPDDWJAPUJQ-MSOLQXFVSA-N	1	0	359.474	1.698	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]C[C@H](C)CC)nn2)C1	ZINC001105243074	795533403	/nfs/dbraw/zinc/53/34/03/795533403.db2.gz	TYMISAJIBTXFSX-OLMNPRSZSA-N	1	0	361.490	1.778	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC([NH2+]Cc2nnnn2C2CC2)CC1	ZINC001026563639	795556701	/nfs/dbraw/zinc/55/67/01/795556701.db2.gz	CJLLHCXUVCDCIO-GMEATFMZSA-N	1	0	360.462	1.116	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCC([NH2+]CC(=O)N2CCCC2)CC1	ZINC001026575355	795574006	/nfs/dbraw/zinc/57/40/06/795574006.db2.gz	NGXRPZGPOPCMNC-AKSNENBUSA-N	1	0	363.502	1.607	20	30		FDEDRO
N#Cc1cccc(CCNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1	ZINC000418149595	795577241	/nfs/dbraw/zinc/57/72/41/795577241.db2.gz	POECFAZFTDDJRJ-OAHLLOKOSA-N	1	0	369.391	1.236	20	30		FDEDRO
C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3ccsc3)C2)nn1	ZINC001105270613	795673614	/nfs/dbraw/zinc/67/36/14/795673614.db2.gz	DOWXPQNMXSDAHP-DLBZAZTESA-N	1	0	355.467	1.640	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H]2CCNC2=O)C1	ZINC001211655505	795683232	/nfs/dbraw/zinc/68/32/32/795683232.db2.gz	LEQNPDUWXCILDL-IPMKNSEASA-N	1	0	353.466	1.653	20	30		FDEDRO
CC(C)(C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC#N)C1)C1CC1	ZINC001211655549	795698674	/nfs/dbraw/zinc/69/86/74/795698674.db2.gz	NPLGTMUVTDHFEA-ZWKOTPCHSA-N	1	0	368.481	1.647	20	30		FDEDRO
COCC#CCNCc1cn(C2CN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)C2)nn1	ZINC001105280978	795779228	/nfs/dbraw/zinc/77/92/28/795779228.db2.gz	NUSOCMQQPBRATF-IAGOWNOFSA-N	1	0	359.474	1.083	20	30		FDEDRO
N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)N[C@H]2CCC[NH2+]C2)CC1	ZINC000418390509	795854814	/nfs/dbraw/zinc/85/48/14/795854814.db2.gz	XQIWQGJTDUPHSE-ZDUSSCGKSA-N	1	0	370.413	1.390	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CCCC[N@H+]4C)[C@@H]3C2)cc1	ZINC000974456789	795984248	/nfs/dbraw/zinc/98/42/48/795984248.db2.gz	SFXVXBNWFLYHDJ-VAMGGRTRSA-N	1	0	365.477	1.825	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001058730739	795986873	/nfs/dbraw/zinc/98/68/73/795986873.db2.gz	GYTGUBKFSSVACI-FCEWJHQRSA-N	1	0	353.507	1.256	20	30		FDEDRO
Cc1onc(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1C#N	ZINC000500403782	796067234	/nfs/dbraw/zinc/06/72/34/796067234.db2.gz	BGKKLYXIQVCUAH-WMZOPIPTSA-N	1	0	368.437	1.396	20	30		FDEDRO
C=CCCn1cc(CN2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)nn1	ZINC000662338470	806477407	/nfs/dbraw/zinc/47/74/07/806477407.db2.gz	RWKPHFXBLQBZIV-MRXNPFEDSA-N	1	0	370.505	1.367	20	30		FDEDRO
C=CCCn1cc(CN2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)nn1	ZINC000662338469	806477438	/nfs/dbraw/zinc/47/74/38/806477438.db2.gz	RWKPHFXBLQBZIV-INIZCTEOSA-N	1	0	370.505	1.367	20	30		FDEDRO
C[C@@H](CC[NH3+])NC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000418527164	796089988	/nfs/dbraw/zinc/08/99/88/796089988.db2.gz	NWFFPCARTIRNKX-AWEZNQCLSA-N	1	0	352.442	1.675	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCO[C@H]3C=C)C2)nn1	ZINC001105328797	796119058	/nfs/dbraw/zinc/11/90/58/796119058.db2.gz	WNAFKDLNRFGTDH-OLMNPRSZSA-N	1	0	359.474	1.697	20	30		FDEDRO
C=CCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C2)nn1	ZINC001105330257	796148612	/nfs/dbraw/zinc/14/86/12/796148612.db2.gz	XRUHKYDUTRCZOK-IAGOWNOFSA-N	1	0	369.473	1.254	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CC(N)=O)CC[C@@H]1c1ccccc1	ZINC001087428205	806734592	/nfs/dbraw/zinc/73/45/92/806734592.db2.gz	RXFDRPUUESAMRQ-MKXGPGLRSA-N	1	0	371.481	1.427	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(=O)NC)C1	ZINC001112523163	799811431	/nfs/dbraw/zinc/81/14/31/799811431.db2.gz	FXEZHTOXJOCGON-KYNGSXCRSA-N	1	0	364.490	1.263	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H]3CN(C(=O)C[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)c1	ZINC000974582960	799868492	/nfs/dbraw/zinc/86/84/92/799868492.db2.gz	IEAJWMOBWQNGBD-YQVWRLOYSA-N	1	0	366.465	1.078	20	30		FDEDRO
C=C1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)CC1	ZINC000974584419	799872402	/nfs/dbraw/zinc/87/24/02/799872402.db2.gz	PCZGQORYKSWYAW-QZTJIDSGSA-N	1	0	357.498	1.888	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H]3CN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]3C2)c1	ZINC000974599054	799911045	/nfs/dbraw/zinc/91/10/45/799911045.db2.gz	GROFDVFTOGLTPQ-BPQIPLTHSA-N	1	0	354.454	1.076	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)C[N@H+]4CCC[C@H]4C)C[C@H]32)cn1	ZINC000974671232	800040613	/nfs/dbraw/zinc/04/06/13/800040613.db2.gz	QJSZIXXQCCMMHK-SZVBFZGTSA-N	1	0	366.465	1.220	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@H]3CCN(C(=O)C#CC4CC4)C[C@H]32)C1	ZINC000974859186	800444120	/nfs/dbraw/zinc/44/41/20/800444120.db2.gz	MQLJEEKNCIIARM-GUDVDZBRSA-N	1	0	357.498	1.581	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)CCC[NH2+]1	ZINC000662555580	806836834	/nfs/dbraw/zinc/83/68/34/806836834.db2.gz	VEQUIESHZGZRRM-IBGZPJMESA-N	1	0	359.474	1.087	20	30		FDEDRO
C=C[C@H](C(=O)N1CC[C@@H]2CN(C(=O)Cc3ncc[nH]3)[C@@H]2C1)c1ccccc1	ZINC000974920196	800557559	/nfs/dbraw/zinc/55/75/59/800557559.db2.gz	DNPBTEQJBRKFCM-FGTMMUONSA-N	1	0	364.449	1.981	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnnn2CCCC)C1	ZINC001027076476	800891921	/nfs/dbraw/zinc/89/19/21/800891921.db2.gz	OMXXHUKBGGFUBR-OAGGEKHMSA-N	1	0	362.478	1.002	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000636638565	800910758	/nfs/dbraw/zinc/91/07/58/800910758.db2.gz	FIGLTOHZYIZZHI-UHFFFAOYSA-N	1	0	364.534	1.380	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnc(CC)o2)C1	ZINC001027113800	800978417	/nfs/dbraw/zinc/97/84/17/800978417.db2.gz	JJSHRZSSVNXGBP-MPGHIAIKSA-N	1	0	362.474	1.941	20	30		FDEDRO
C=CC[C@@]1(C(=O)N[C@H]2CCN(Cc3ccc(OC)cc3)C2=O)CCC[NH2+]1	ZINC000662616360	806881910	/nfs/dbraw/zinc/88/19/10/806881910.db2.gz	SRCGHMBEEGOXOT-PXNSSMCTSA-N	1	0	357.454	1.611	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)C(F)F)C[C@@H]32)CC1	ZINC000975438430	801320434	/nfs/dbraw/zinc/32/04/34/801320434.db2.gz	BPUOLQMTVFXAFY-ZFWWWQNUSA-N	1	0	353.413	1.046	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[C@H]1C(N)=O)C2	ZINC001112530930	806905001	/nfs/dbraw/zinc/90/50/01/806905001.db2.gz	VWCZXNZZWMDWON-ZWUHOBOKSA-N	1	0	370.291	1.235	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CCN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@@H]32)nc1	ZINC000975619779	801688929	/nfs/dbraw/zinc/68/89/29/801688929.db2.gz	GBLOCYCDZAJUKL-WDSOQIARSA-N	1	0	366.465	1.220	20	30		FDEDRO
C=CCOCCCNC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000660820951	801720872	/nfs/dbraw/zinc/72/08/72/801720872.db2.gz	AHTXOJRDYMNLNS-LJQANCHMSA-N	1	0	360.502	1.867	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CCC(=O)NC2)C1	ZINC001087429401	806933531	/nfs/dbraw/zinc/93/35/31/806933531.db2.gz	HXAUGTHKTFSKCG-DFQSSKMNSA-N	1	0	367.493	1.900	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCN(Cc3nccn3C(F)F)CC2)CCC[NH2+]1	ZINC000662699134	806971163	/nfs/dbraw/zinc/97/11/63/806971163.db2.gz	XASVXKDSCQLUAJ-QGZVFWFLSA-N	1	0	353.417	1.621	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@H]21	ZINC000975817449	802463609	/nfs/dbraw/zinc/46/36/09/802463609.db2.gz	RLVALYQUCWZKDV-CUWPLCDZSA-N	1	0	369.509	1.724	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)Nc1ccc(OCCCN2CC[NH+](C)CC2)cc1	ZINC000651691569	802563837	/nfs/dbraw/zinc/56/38/37/802563837.db2.gz	YUZHQHHRZFFMJL-UHFFFAOYSA-N	1	0	374.485	1.286	20	30		FDEDRO
CC(C)(C(=O)N1CC[C@H]2CCN(C(=O)C#CC3CC3)[C@H]2C1)[NH+]1CCCC1	ZINC000975845713	802576733	/nfs/dbraw/zinc/57/67/33/802576733.db2.gz	AGJKKRVPPMSKMJ-ROUUACIJSA-N	1	0	357.498	1.724	20	30		FDEDRO
C[NH+](C)Cc1ccoc1C(=O)N1CC[C@H]2CCN(C(=O)C#CC3CC3)[C@H]2C1	ZINC000975929516	802739170	/nfs/dbraw/zinc/73/91/70/802739170.db2.gz	FLZMESXJUIVMOB-WMZOPIPTSA-N	1	0	369.465	1.818	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1n[nH]cc1F)C2	ZINC001112524663	802755032	/nfs/dbraw/zinc/75/50/32/802755032.db2.gz	AVDPSAQCZBJTGU-LXIYXOSZSA-N	1	0	363.437	1.071	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)[C@@H](C)C#N)C[C@@H]32)CC1	ZINC000975974210	802764468	/nfs/dbraw/zinc/76/44/68/802764468.db2.gz	WLAMXKSBRGMQDE-BQFCYCMXSA-N	1	0	360.502	1.716	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C23CC[NH+](CC2)C3)[nH]1	ZINC000976539215	803490572	/nfs/dbraw/zinc/49/05/72/803490572.db2.gz	MBKFDAQDFHKHBT-HUUCEWRRSA-N	1	0	355.442	1.139	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1CC	ZINC000976658943	803674568	/nfs/dbraw/zinc/67/45/68/803674568.db2.gz	XIUTUMWMDYXJGV-ZMSHIADSSA-N	1	0	361.486	1.025	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[C@H]2C2CC2)CC1	ZINC000976752597	803856245	/nfs/dbraw/zinc/85/62/45/803856245.db2.gz	XBRPKVNGHAEVDK-MTQWCTHYSA-N	1	0	371.525	1.921	20	30		FDEDRO
C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1	ZINC000423153952	814976290	/nfs/dbraw/zinc/97/62/90/814976290.db2.gz	OGNRXSXRSQKRTO-HXUWFJFHSA-N	1	0	370.453	1.125	20	30		FDEDRO
C=CCN(C(=O)COC1CC[NH2+]CC1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000423164703	814985483	/nfs/dbraw/zinc/98/54/83/814985483.db2.gz	OYKKOBMTHHRMLI-HNNXBMFYSA-N	1	0	370.457	1.507	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1	ZINC000423189023	814995540	/nfs/dbraw/zinc/99/55/40/814995540.db2.gz	OJOHVOANGWSMAF-UHFFFAOYSA-N	1	0	355.482	1.846	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CCC([NH2+]C)CC1	ZINC000423219562	815006614	/nfs/dbraw/zinc/00/66/14/815006614.db2.gz	WGUXGSGENTZNPE-UHFFFAOYSA-N	1	0	360.414	1.320	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C[N@H+]2CC[C@H](C)C2)nc1	ZINC000977027282	804303138	/nfs/dbraw/zinc/30/31/38/804303138.db2.gz	WKCMVWFGEWZLTM-CGTJXYLNSA-N	1	0	368.481	1.562	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C[N@H+]2CCC[C@H]2C)cn1	ZINC000977028553	804314886	/nfs/dbraw/zinc/31/48/86/804314886.db2.gz	HCRHQQUYGIWTGG-ATZDWAIDSA-N	1	0	368.481	1.704	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C[N@H+]2CCC[C@@H]2C)cn1	ZINC000977028560	804315329	/nfs/dbraw/zinc/31/53/29/804315329.db2.gz	HCRHQQUYGIWTGG-KFKAGJAMSA-N	1	0	368.481	1.704	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@]13C[C@H]1CCCC3)C2	ZINC001112525847	804419720	/nfs/dbraw/zinc/41/97/20/804419720.db2.gz	IZNPOGBQOKELST-SQBLYHGDSA-N	1	0	357.498	1.534	20	30		FDEDRO
C=CC[N@H+]1C[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C(C)(C)C1	ZINC000977303325	804727165	/nfs/dbraw/zinc/72/71/65/804727165.db2.gz	LPQQUWHHRWBOOA-XYJFISCASA-N	1	0	356.470	1.614	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1occc1C)C2	ZINC001112526507	804806603	/nfs/dbraw/zinc/80/66/03/804806603.db2.gz	LKNILQWARNSBGR-JXFKEZNVSA-N	1	0	357.454	1.098	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]2CN(C)C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC000977605540	804858815	/nfs/dbraw/zinc/85/88/15/804858815.db2.gz	RJVRXQLVDPMWRJ-HLLBOEOZSA-N	1	0	357.458	1.290	20	30		FDEDRO
C=CCOCCCNC(=O)N1CCCN(CC(=O)N(CC)CC)CC1	ZINC000661794484	804859426	/nfs/dbraw/zinc/85/94/26/804859426.db2.gz	WPCVFOIMKBHVBV-UHFFFAOYSA-N	1	0	354.495	1.165	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]2CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)nc1	ZINC000977802213	804963188	/nfs/dbraw/zinc/96/31/88/804963188.db2.gz	VTCPDWBJKFMDGU-DJIMGWMZSA-N	1	0	354.454	1.076	20	30		FDEDRO
COc1ccc(C[N@H+](C)[C@@H]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1C#N	ZINC001027580006	805122575	/nfs/dbraw/zinc/12/25/75/805122575.db2.gz	RDGUHIAYZPWTCA-ZACQAIPSSA-N	1	0	370.453	1.111	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCn3cncn3)C2)c1	ZINC001112527274	805153475	/nfs/dbraw/zinc/15/34/75/805153475.db2.gz	WOGCJEOAOYXKKO-ICSRJNTNSA-N	1	0	364.453	1.187	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1c1ccccc1	ZINC001211674763	805175389	/nfs/dbraw/zinc/17/53/89/805175389.db2.gz	JBUGVLMYPVTTMX-RBUKOAKNSA-N	1	0	351.454	1.355	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1	ZINC000978140401	805215257	/nfs/dbraw/zinc/21/52/57/805215257.db2.gz	BWCFSCXPKJAAKM-AYOQOUSVSA-N	1	0	353.466	1.681	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4C#N)C[C@H]32)C1	ZINC000978187045	805275207	/nfs/dbraw/zinc/27/52/07/805275207.db2.gz	XZEYOMNJONWZKZ-QSGLGXSPSA-N	1	0	366.465	1.267	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](N(C)Cc2cnns2)C1	ZINC001027612596	805366165	/nfs/dbraw/zinc/36/61/65/805366165.db2.gz	MADZQJHMBYAGJW-KBMXLJTQSA-N	1	0	350.488	1.942	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cc3n(n2)CCO3)C1	ZINC001087429912	807027336	/nfs/dbraw/zinc/02/73/36/807027336.db2.gz	KIFAPCDWLCOZFT-IEBWSBKVSA-N	1	0	364.449	1.887	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CN2CCOCC2=O)C1	ZINC001087430139	807037245	/nfs/dbraw/zinc/03/72/45/807037245.db2.gz	YZQWMGCZKXWVTC-QZTJIDSGSA-N	1	0	357.454	1.006	20	30		FDEDRO
CC[NH+]1CCN(CCNC(=O)c2cc(-c3cccc(C#N)c3)no2)CC1	ZINC000278921819	807243308	/nfs/dbraw/zinc/24/33/08/807243308.db2.gz	BHHFJVDFQRPGNY-UHFFFAOYSA-N	1	0	353.426	1.581	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3ccoc3)C2)CC1	ZINC000980923727	807306550	/nfs/dbraw/zinc/30/65/50/807306550.db2.gz	GDAUDHNHBIEZSC-MAUKXSAKSA-N	1	0	357.454	1.640	20	30		FDEDRO
C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)C1	ZINC000423515537	815108574	/nfs/dbraw/zinc/10/85/74/815108574.db2.gz	ADWRFUGZAKUICN-JQHSSLGASA-N	1	0	354.454	1.353	20	30		FDEDRO
C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1	ZINC000423557945	815115046	/nfs/dbraw/zinc/11/50/46/815115046.db2.gz	MBEICLYHMGQZGR-SFHVURJKSA-N	1	0	352.438	1.384	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C[C@@]1(C)C[NH3+]	ZINC000423553796	815131129	/nfs/dbraw/zinc/13/11/29/815131129.db2.gz	INQCYXBTZMZBCR-QVKFZJNVSA-N	1	0	366.465	1.617	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1	ZINC000981194470	807699768	/nfs/dbraw/zinc/69/97/68/807699768.db2.gz	FFTSZCNPCOLUFO-LESCRADOSA-N	1	0	371.485	1.775	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3cc(C)n[nH]3)C2)CC1	ZINC000981544895	808116292	/nfs/dbraw/zinc/11/62/92/808116292.db2.gz	VDIUCPUFJHDHQA-DOTOQJQBSA-N	1	0	371.485	1.078	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@](CO)(OC)C1)C(C)C	ZINC000663667373	808388265	/nfs/dbraw/zinc/38/82/65/808388265.db2.gz	GMWAHTXIRMPWNL-IEBWSBKVSA-N	1	0	353.507	1.868	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@H](COC)[C@H]2CCCO2)c(OC)c1	ZINC000279153984	808509863	/nfs/dbraw/zinc/50/98/63/808509863.db2.gz	ZAOIXLXRGIMNFN-KZNAEPCWSA-N	1	0	365.470	1.947	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCn1c(C)csc1=O	ZINC001028146543	808686144	/nfs/dbraw/zinc/68/61/44/808686144.db2.gz	IQDJTCQVWACUNU-OAGGEKHMSA-N	1	0	365.499	1.390	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1	ZINC001087436103	808836433	/nfs/dbraw/zinc/83/64/33/808836433.db2.gz	XJQHPPCBTWYMDU-SJLPKXTDSA-N	1	0	352.438	1.934	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@@H]1CCC[C@@H]1CCO	ZINC000279310275	808859259	/nfs/dbraw/zinc/85/92/59/808859259.db2.gz	RGYBFVQCDCPBRF-RHSMWYFYSA-N	1	0	353.426	1.823	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCN1CCCC1=O	ZINC001028193170	808955867	/nfs/dbraw/zinc/95/58/67/808955867.db2.gz	RCOTWVAMVVMUHI-LNLFQRSKSA-N	1	0	363.502	1.561	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCC3(CN(C(=O)[C@H]4C[C@H]4C(N)=O)C3)C2)cc1	ZINC000982015380	809029169	/nfs/dbraw/zinc/02/91/69/809029169.db2.gz	DHUFTRKVPABRTF-SJORKVTESA-N	1	0	352.438	1.104	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000437707846	809157529	/nfs/dbraw/zinc/15/75/29/809157529.db2.gz	WEXSXBNHRRMBHP-CRAIPNDOSA-N	1	0	366.506	1.210	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1CCC[C@H]([NH3+])C1	ZINC000418739571	809178778	/nfs/dbraw/zinc/17/87/78/809178778.db2.gz	YXJSRIFKKAZEHY-ILXRZTDVSA-N	1	0	357.462	1.086	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C3CC3)n[nH]1)C2	ZINC001112534682	809283506	/nfs/dbraw/zinc/28/35/06/809283506.db2.gz	YNOKXQLFDDZKQU-YWZLYKJASA-N	1	0	371.485	1.421	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1c1ccccc1	ZINC001211724146	809340669	/nfs/dbraw/zinc/34/06/69/809340669.db2.gz	OUNDIKUOZGGWQH-DLBZAZTESA-N	1	0	365.499	1.086	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCCC2)N1CCN([C@H](C)C(F)(F)F)CC1	ZINC000261675612	809444944	/nfs/dbraw/zinc/44/49/44/809444944.db2.gz	CEVPDTPGTKEZFA-GFCCVEGCSA-N	1	0	373.427	1.258	20	30		FDEDRO
C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000419119641	809574492	/nfs/dbraw/zinc/57/44/92/809574492.db2.gz	SHPDMACNXXCXTC-OCCSQVGLSA-N	1	0	367.371	1.369	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1	ZINC000424063604	815301719	/nfs/dbraw/zinc/30/17/19/815301719.db2.gz	IXTQFFQWWNJNPM-IGDKPHCXSA-N	1	0	372.513	1.895	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccc(C(N)=O)nc2)C1	ZINC001087444349	809825249	/nfs/dbraw/zinc/82/52/49/809825249.db2.gz	IAVCJWHENGFEOR-IEBWSBKVSA-N	1	0	364.449	1.954	20	30		FDEDRO
C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000419207729	809829758	/nfs/dbraw/zinc/82/97/58/809829758.db2.gz	MUZMEFYXZYEWOO-ZIAGYGMSSA-N	1	0	350.422	1.866	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@H]1OC	ZINC001212177999	809923752	/nfs/dbraw/zinc/92/37/52/809923752.db2.gz	FCZZRUSDABDKFY-DBXWQHBBSA-N	1	0	369.465	1.877	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)C[C@H]1c1ccccc1	ZINC001211735997	809924683	/nfs/dbraw/zinc/92/46/83/809924683.db2.gz	BTPCPDGANWYPEH-KSZLIROESA-N	1	0	354.454	1.137	20	30		FDEDRO
CN(C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCC[N@H+](C)C1	ZINC000894098285	809934391	/nfs/dbraw/zinc/93/43/91/809934391.db2.gz	GFGZTFWGFRAJEC-QZTJIDSGSA-N	1	0	369.469	1.789	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c(OC)c1	ZINC000424234625	815330451	/nfs/dbraw/zinc/33/04/51/815330451.db2.gz	KMYPBWNAMHSBTL-DLBZAZTESA-N	1	0	370.453	1.489	20	30		FDEDRO
C#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2nnn(C)c2C)C1	ZINC001087454062	810041357	/nfs/dbraw/zinc/04/13/57/810041357.db2.gz	ZGURIDAYRFRIBS-IAGOWNOFSA-N	1	0	355.417	1.484	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCCNC2=O)C1	ZINC001087455907	810071223	/nfs/dbraw/zinc/07/12/23/810071223.db2.gz	VDEGGGFHAOCVGX-CEXWTWQISA-N	1	0	371.456	1.649	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)NC1CCN(C(=O)C2CC2)CC1	ZINC000261712451	810173266	/nfs/dbraw/zinc/17/32/66/810173266.db2.gz	KCJJDAOLKRXUQW-RCCFBDPRSA-N	1	0	374.529	1.900	20	30		FDEDRO
CC#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1	ZINC001087457793	810217352	/nfs/dbraw/zinc/21/73/52/810217352.db2.gz	RMQWUPFGRNYSMX-GUDVDZBRSA-N	1	0	371.456	1.744	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1	ZINC001087460107	810577969	/nfs/dbraw/zinc/57/79/69/810577969.db2.gz	PQPUXUOZDPNMBU-SJLPKXTDSA-N	1	0	370.428	1.693	20	30		FDEDRO
C=C(Cl)CN1CC[C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1	ZINC001028547545	810613620	/nfs/dbraw/zinc/61/36/20/810613620.db2.gz	XXYINLBAATYOLM-NXHRZFHOSA-N	1	0	369.937	1.924	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2nnn(C)c2C)C1	ZINC001087463490	811101873	/nfs/dbraw/zinc/10/18/73/811101873.db2.gz	MKRRPWGDSBJCFA-QZTJIDSGSA-N	1	0	369.444	1.874	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC000937322848	811181311	/nfs/dbraw/zinc/18/13/11/811181311.db2.gz	DSEOJXDTKNECRV-VNQPRFMTSA-N	1	0	357.458	1.337	20	30		FDEDRO
[NH2+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N1CCN(c2ncccn2)CC1	ZINC000261704997	811301239	/nfs/dbraw/zinc/30/12/39/811301239.db2.gz	UKDDBCJMDXDVFZ-XHSDSOJGSA-N	1	0	356.474	1.261	20	30		FDEDRO
C[NH+]=C(NCCn1cnc2ccccc21)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000261706074	811301459	/nfs/dbraw/zinc/30/14/59/811301459.db2.gz	JNUWIQJROOIPNM-KRWDZBQOSA-N	1	0	370.501	1.266	20	30		FDEDRO
C[NH+]=C(NCC(=O)N1CCN(c2ccccc2)CC1)N(C)Cc1ccon1	ZINC000261819958	811326468	/nfs/dbraw/zinc/32/64/68/811326468.db2.gz	UJNGYRXFPONJIH-UHFFFAOYSA-N	1	0	370.457	1.031	20	30		FDEDRO
C[NH+]=C(NCc1cccc(N(C)C)n1)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1	ZINC000261833437	811329743	/nfs/dbraw/zinc/32/97/43/811329743.db2.gz	VOLSBVBZJOWZMW-HUUCEWRRSA-N	1	0	360.506	1.460	20	30		FDEDRO
C[NH+]=C(NCc1cn2ccccc2n1)N1CC[C@@H](Oc2ccccn2)C1	ZINC000262004655	811365049	/nfs/dbraw/zinc/36/50/49/811365049.db2.gz	VIUQIGXXVSGALP-MRXNPFEDSA-N	1	0	350.426	1.958	20	30		FDEDRO
C[NH+]=C(NCc1ccc(C(N)=O)o1)N1CC[C@@H](c2ccc(OC)cc2)C1	ZINC000262328127	811442353	/nfs/dbraw/zinc/44/23/53/811442353.db2.gz	AIYXNLKCANMHLT-CQSZACIVSA-N	1	0	356.426	1.952	20	30		FDEDRO
C[NH+]=C(N[C@@H]1C[C@H]1Cc1ccccc1)N1CCN(c2ncccn2)CC1	ZINC000262422049	811464442	/nfs/dbraw/zinc/46/44/42/811464442.db2.gz	RAXBRLBYZLZFEZ-QZTJIDSGSA-N	1	0	350.470	1.805	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CCO[C@H]4CC4(F)F)C[C@H]32)[nH]1	ZINC001075700520	815464290	/nfs/dbraw/zinc/46/42/90/815464290.db2.gz	UCEUMQGCLYTCEX-GLQYFDAESA-N	1	0	350.369	1.457	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)O1	ZINC001028628173	811641928	/nfs/dbraw/zinc/64/19/28/811641928.db2.gz	OTAHQPUQFKVMIQ-AYOQOUSVSA-N	1	0	356.470	1.215	20	30		FDEDRO
N#C[C@@H]1CN(C[C@@H](O)COCc2ccco2)C[C@]12C(=O)Nc1ccccc12	ZINC000513661557	811664979	/nfs/dbraw/zinc/66/49/79/811664979.db2.gz	SYOLREJDUUQQKX-SXGZJXTBSA-N	1	0	367.405	1.503	20	30		FDEDRO
C[NH+](C)C(C)(C)CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O	ZINC000505322709	815482687	/nfs/dbraw/zinc/48/26/87/815482687.db2.gz	KLAGQOXGIZRLTN-HNNXBMFYSA-N	1	0	371.441	1.220	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1	ZINC000280723755	811915251	/nfs/dbraw/zinc/91/52/51/811915251.db2.gz	IDDKYEZYKDIDIM-LSDHHAIUSA-N	1	0	358.442	1.372	20	30		FDEDRO
C[C@H](C[NH3+])CNC(=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1	ZINC000419629250	812051521	/nfs/dbraw/zinc/05/15/21/812051521.db2.gz	BSKGBEUUNWJNCT-CQSZACIVSA-N	1	0	350.422	1.552	20	30		FDEDRO
CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cn1cnc(C#N)n1	ZINC000513907283	815538831	/nfs/dbraw/zinc/53/88/31/815538831.db2.gz	JRRUTVIPMCRSEH-MRXNPFEDSA-N	1	0	352.442	1.567	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000434416505	815563084	/nfs/dbraw/zinc/56/30/84/815563084.db2.gz	PEYIMFNCPVVLRL-HKUYNNGSSA-N	1	0	359.470	1.925	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1	ZINC000420062632	813415783	/nfs/dbraw/zinc/41/57/83/813415783.db2.gz	RUJFJGXEWZQJIN-SFHVURJKSA-N	1	0	355.438	1.617	20	30		FDEDRO
C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(Cc1ccc(C#N)cc1)C1CC1	ZINC000420044794	813422669	/nfs/dbraw/zinc/42/26/69/813422669.db2.gz	UEQZVSQGYKTEFF-DYVFJYSZSA-N	1	0	370.453	1.278	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1	ZINC000420070909	813437133	/nfs/dbraw/zinc/43/71/33/813437133.db2.gz	KLKDLLODJDFDOL-SFHVURJKSA-N	1	0	372.469	1.167	20	30		FDEDRO
CC1(CNC(=O)C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC[NH2+]CC1	ZINC000420130378	813491224	/nfs/dbraw/zinc/49/12/24/813491224.db2.gz	WXIVDXBRMGFWRP-ROUUACIJSA-N	1	0	368.481	1.791	20	30		FDEDRO
C=CCN1CC[C@@H](N(Cc2nccn2CC)[C@H]2CC23CC[NH2+]CC3)C1=O	ZINC000420314318	813604267	/nfs/dbraw/zinc/60/42/67/813604267.db2.gz	QPLMGVGIBSCPLM-SJORKVTESA-N	1	0	357.502	1.634	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000982985568	813744893	/nfs/dbraw/zinc/74/48/93/813744893.db2.gz	USUDOWXFPNNNIB-QGTPRVQTSA-N	1	0	368.437	1.504	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)C[C@H]4COC(=O)C4)[C@@H]3C2)c1	ZINC001075685004	813772126	/nfs/dbraw/zinc/77/21/26/813772126.db2.gz	KOFKVCZLJNEPDV-FGTMMUONSA-N	1	0	353.422	1.544	20	30		FDEDRO
CNC(=O)[C@@H]1CC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000420970136	813896266	/nfs/dbraw/zinc/89/62/66/813896266.db2.gz	GBBRVRPNAODMDI-CQSZACIVSA-N	1	0	367.371	1.241	20	30		FDEDRO
CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000421300166	814086768	/nfs/dbraw/zinc/08/67/68/814086768.db2.gz	ONQGKTSKGWKVOZ-INIZCTEOSA-N	1	0	358.442	1.860	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000983073353	814317330	/nfs/dbraw/zinc/31/73/30/814317330.db2.gz	MNIXMPNSVJDGMN-SZVBFZGTSA-N	1	0	353.466	1.586	20	30		FDEDRO
Cc1cc(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)nn1CCC#N	ZINC000272046083	814555745	/nfs/dbraw/zinc/55/57/45/814555745.db2.gz	GNLJIBJLRTUQNE-DLBZAZTESA-N	1	0	374.489	1.995	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(=O)c(OC)co2)C[C@H]1C(F)(F)F	ZINC001112130944	814816046	/nfs/dbraw/zinc/81/60/46/814816046.db2.gz	BFUMASNVUULZLQ-GHMZBOCLSA-N	1	0	358.316	1.264	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[NH+]2CCC([C@H](O)C(=O)NC3CC3)CC2)cc1	ZINC000434716800	815698657	/nfs/dbraw/zinc/69/86/57/815698657.db2.gz	FOBRXMPKRNGTGY-IBGZPJMESA-N	1	0	370.453	1.238	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3CN(Cc4noc5c4COCC5)C[C@H]32)c[nH]1	ZINC001075709958	815775822	/nfs/dbraw/zinc/77/58/22/815775822.db2.gz	UVMKSSOYRUIRTB-YVEFUNNKSA-N	1	0	367.409	1.294	20	30		FDEDRO
N#CCCn1cc(C[NH2+][C@H]2CCc3nnnn3CC2)c(-c2ccccc2)n1	ZINC000514595451	815895640	/nfs/dbraw/zinc/89/56/40/815895640.db2.gz	DHKHVTPUPMSHDX-KRWDZBQOSA-N	1	0	362.441	1.945	20	30		FDEDRO
C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000514939814	816042106	/nfs/dbraw/zinc/04/21/06/816042106.db2.gz	QGILBKKUSRCETF-UONOGXRCSA-N	1	0	358.442	1.170	20	30		FDEDRO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N(C)CC1CC[NH+](C)CC1	ZINC000425392746	816081107	/nfs/dbraw/zinc/08/11/07/816081107.db2.gz	ZYMNYJDQSAADSD-HNNXBMFYSA-N	1	0	356.470	1.878	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@H](C)[C@H]2c2nc(C)no2)CC1	ZINC000333689345	816154013	/nfs/dbraw/zinc/15/40/13/816154013.db2.gz	CHXIVNFQLOJVIG-CJNGLKHVSA-N	1	0	363.462	1.890	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O	ZINC000425443289	816293820	/nfs/dbraw/zinc/29/38/20/816293820.db2.gz	LQWZUJUEMJMZNG-RHSMWYFYSA-N	1	0	357.458	1.600	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1	ZINC000425500130	816380844	/nfs/dbraw/zinc/38/08/44/816380844.db2.gz	LFAHGERBSQMNJC-BPQIPLTHSA-N	1	0	356.470	1.593	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)CCCN1C(=O)c2ccccc2C1=O	ZINC000425544523	816508375	/nfs/dbraw/zinc/50/83/75/816508375.db2.gz	POIJHJUELPGEJQ-HNNXBMFYSA-N	1	0	370.453	1.613	20	30		FDEDRO
N#Cc1cnn2cc(C[NH+]3CCC(C(=O)NCC(F)(F)F)CC3)cnc12	ZINC000516182854	816670629	/nfs/dbraw/zinc/67/06/29/816670629.db2.gz	UKUPJARHMFZNDT-UHFFFAOYSA-N	1	0	366.347	1.491	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)CN2CCC(CO)([NH2+]CC3CC3)CC2)cc1	ZINC000516870960	817074699	/nfs/dbraw/zinc/07/46/99/817074699.db2.gz	SPPKSOOOCMNBRP-GOSISDBHSA-N	1	0	359.470	1.124	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)Nc3cccc4c3CC[NH2+]C4)CC2)n1	ZINC000517095455	817216853	/nfs/dbraw/zinc/21/68/53/817216853.db2.gz	NVGBAFVZUYWGOV-UHFFFAOYSA-N	1	0	362.437	1.953	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC1CC[NH+](C2CC2)CC1	ZINC000425871952	817274074	/nfs/dbraw/zinc/27/40/74/817274074.db2.gz	YGQCSASEJJNPEN-CQSZACIVSA-N	1	0	354.454	1.821	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCC(=O)NCCc2ccccc2OC)CC1	ZINC000437716866	817290007	/nfs/dbraw/zinc/29/00/07/817290007.db2.gz	NAXIQPVXOPJUDR-UHFFFAOYSA-N	1	0	374.485	1.304	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1	ZINC000425886767	817317513	/nfs/dbraw/zinc/31/75/13/817317513.db2.gz	MVFCHOLSQAVUBT-JQHSSLGASA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1	ZINC000425886769	817317533	/nfs/dbraw/zinc/31/75/33/817317533.db2.gz	MVFCHOLSQAVUBT-SZMVWBNQSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000425891379	817330170	/nfs/dbraw/zinc/33/01/70/817330170.db2.gz	OZQBZLLDPWPXAF-CUSZFKRNSA-N	1	0	363.502	1.463	20	30		FDEDRO
N#Cc1ccc(OCC[NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)cc1	ZINC000517230545	817334130	/nfs/dbraw/zinc/33/41/30/817334130.db2.gz	FMXALTJXFFAAIF-HNNXBMFYSA-N	1	0	365.389	1.184	20	30		FDEDRO
CC#CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCN(C)C2=O)C1	ZINC001087466970	817464061	/nfs/dbraw/zinc/46/40/61/817464061.db2.gz	YKGDVMMABINPLT-GUDVDZBRSA-N	1	0	371.456	1.601	20	30		FDEDRO
N#Cc1ccc(OCC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1	ZINC000517556972	817486134	/nfs/dbraw/zinc/48/61/34/817486134.db2.gz	SQSVESSFYLSJOU-INIZCTEOSA-N	1	0	357.366	1.875	20	30		FDEDRO
C=CCN1CCC([NH2+]Cc2cc(OC)c(OCC(N)=O)c(OC)c2)CC1	ZINC000517561023	817486736	/nfs/dbraw/zinc/48/67/36/817486736.db2.gz	HRSBLVRTVBXECQ-UHFFFAOYSA-N	1	0	363.458	1.308	20	30		FDEDRO
C[NH+]1CCN(C[C@@H](NC(=O)N2CCC(C#N)CC2)c2ccccc2)CC1	ZINC000517914772	817630471	/nfs/dbraw/zinc/63/04/71/817630471.db2.gz	PIHACDOJLVJUNW-LJQANCHMSA-N	1	0	355.486	1.920	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)cc1	ZINC000518519500	817914045	/nfs/dbraw/zinc/91/40/45/817914045.db2.gz	VMRRHYLTALUVDM-JKSUJKDBSA-N	1	0	372.446	1.459	20	30		FDEDRO
C[NH+]1CCC(Oc2ccc(CNC(=O)N3CCO[C@](C)(C#N)C3)cc2)CC1	ZINC000894689720	818330387	/nfs/dbraw/zinc/33/03/87/818330387.db2.gz	KRSFDOATPTZAHJ-HXUWFJFHSA-N	1	0	372.469	1.984	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1	ZINC000983673936	818514103	/nfs/dbraw/zinc/51/41/03/818514103.db2.gz	VTHYCVZPRQLDMW-UKPHBRMFSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ncnn2CCF)C1	ZINC000983698364	818593214	/nfs/dbraw/zinc/59/32/14/818593214.db2.gz	LMZMTSLRWPRXCV-FPCVCCKLSA-N	1	0	365.453	1.213	20	30		FDEDRO
C=CCCn1cc(-c2nc(-c3ccnc(N4CC[NH+](C)CC4)c3)no2)nn1	ZINC000664929685	818956156	/nfs/dbraw/zinc/95/61/56/818956156.db2.gz	MMRIIVSMORYMIY-UHFFFAOYSA-N	1	0	366.429	1.718	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1	ZINC000415598601	819067462	/nfs/dbraw/zinc/06/74/62/819067462.db2.gz	VULYONWGQNELJK-IBGZPJMESA-N	1	0	371.441	1.145	20	30		FDEDRO
C=CC[N@@H+](CCCC(=O)NC(N)=O)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000520196055	819246169	/nfs/dbraw/zinc/24/61/69/819246169.db2.gz	VXGAUNXZNBWHLV-CYBMUJFWSA-N	1	0	357.418	1.186	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)CC3(O)CCC3)[C@@H]2C1	ZINC001075776334	819388138	/nfs/dbraw/zinc/38/81/38/819388138.db2.gz	ILEPDFWCTKGTGI-FUHWJXTLSA-N	1	0	369.465	1.905	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)C#CC2CC2)CC1	ZINC000983788522	819510579	/nfs/dbraw/zinc/51/05/79/819510579.db2.gz	QQXWGSAJOWMVSB-XLIONFOSSA-N	1	0	369.509	1.488	20	30		FDEDRO
Cc1ccn(C)c(=O)c1NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000328611773	819517569	/nfs/dbraw/zinc/51/75/69/819517569.db2.gz	OTYGYJLJUVTMOQ-UHFFFAOYSA-N	1	0	361.490	1.578	20	30		FDEDRO
C[C@@H]1CN(c2ccc(NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)cn2)C[C@@H](C)O1	ZINC000328936436	819583999	/nfs/dbraw/zinc/58/39/99/819583999.db2.gz	QUVRISJRXOZTIC-BFYDXBDKSA-N	1	0	359.474	1.673	20	30		FDEDRO
CC(C)(C)CN1CCC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)C1=O	ZINC001075780723	819629967	/nfs/dbraw/zinc/62/99/67/819629967.db2.gz	VKRRJXGDENACNP-IPMKNSEASA-N	1	0	371.525	1.970	20	30		FDEDRO
C[C@H](NC(=O)N[C@H]1CCCN(c2ncc[nH]c2=O)C1)C(C)(C)C[NH+](C)C	ZINC000331219201	819672028	/nfs/dbraw/zinc/67/20/28/819672028.db2.gz	AKQLTNYDNFDZJE-KBPBESRZSA-N	1	0	364.494	1.631	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC2)CC1	ZINC000331289369	819676377	/nfs/dbraw/zinc/67/63/77/819676377.db2.gz	JOUAHEBZSDQVOU-FQEVSTJZSA-N	1	0	363.550	1.531	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1=O	ZINC000520446052	819681112	/nfs/dbraw/zinc/68/11/12/819681112.db2.gz	OUVXFECEAITFSN-QZTJIDSGSA-N	1	0	356.470	1.539	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCSC2(CC(C(=O)OC)C2)C1	ZINC000895058016	819721957	/nfs/dbraw/zinc/72/19/57/819721957.db2.gz	YJNDYPRILDSZCE-SWKXRBFHSA-N	1	0	367.515	1.458	20	30		FDEDRO
C=CCOc1ccc(CNC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)cc1	ZINC000645387724	819822405	/nfs/dbraw/zinc/82/24/05/819822405.db2.gz	QCNMWRUMNFJQCL-OAHLLOKOSA-N	1	0	360.458	1.513	20	30		FDEDRO
C=CCN(C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[C@H](C)COC	ZINC000665128500	820212701	/nfs/dbraw/zinc/21/27/01/820212701.db2.gz	HTALOKXIKHSZFR-QGZVFWFLSA-N	1	0	368.522	1.016	20	30		FDEDRO
COC(=O)[C@H]1CCCN(CCC(=O)Nc2ccccc2C#N)[C@@H]1C(=O)OC	ZINC000441633316	820226492	/nfs/dbraw/zinc/22/64/92/820226492.db2.gz	HDPPZURGOAXYEM-YOEHRIQHSA-N	1	0	373.409	1.313	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)cn1	ZINC000983953818	820284197	/nfs/dbraw/zinc/28/41/97/820284197.db2.gz	OUFKUBVISHFHOD-SUMDDJOVSA-N	1	0	368.481	1.372	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCS(C)(=O)=O)C1	ZINC001112158979	820298003	/nfs/dbraw/zinc/29/80/03/820298003.db2.gz	JBUGEHTZFOEQMP-BZPMIXESSA-N	1	0	370.437	1.612	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1	ZINC000520771091	820666448	/nfs/dbraw/zinc/66/64/48/820666448.db2.gz	PKTZQVRRUIAGMP-MSOLQXFVSA-N	1	0	369.469	1.348	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1CCCc1nc(C)no1	ZINC001087534606	820870516	/nfs/dbraw/zinc/87/05/16/820870516.db2.gz	CSTICTMHHLISJR-GOEBONIOSA-N	1	0	356.430	1.793	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cn(C)nc3C)C[C@H]21	ZINC001075807540	820876377	/nfs/dbraw/zinc/87/63/77/820876377.db2.gz	HUDMGKRSZMKYAS-AITUJVMLSA-N	1	0	358.486	1.742	20	30		FDEDRO
C[C@@H](C#N)CN(C(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1)C1CC1	ZINC000441919997	820985073	/nfs/dbraw/zinc/98/50/73/820985073.db2.gz	NBJNFOKBJVEOCE-AWEZNQCLSA-N	1	0	358.442	1.716	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc[nH]c(=O)c3)[C@H]2CC)C1=O	ZINC001087539240	821045926	/nfs/dbraw/zinc/04/59/26/821045926.db2.gz	IUTHLGLUWHAKNK-ARFHVFGLSA-N	1	0	358.442	1.157	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1	ZINC000442156486	821077314	/nfs/dbraw/zinc/07/73/14/821077314.db2.gz	AMRPUHOCEWORNA-CJNGLKHVSA-N	1	0	373.457	1.532	20	30		FDEDRO
C[C@H]1[C@H](C)N(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CCN1C	ZINC000442293182	821125581	/nfs/dbraw/zinc/12/55/81/821125581.db2.gz	PCEHUBDILTZNND-GJZGRUSLSA-N	1	0	358.442	1.859	20	30		FDEDRO
C[C@@]1(C[C@@H]2CCC[N@@H+]2Cc2cnc3ccc(C#N)cn23)NC(=O)NC1=O	ZINC000521851746	821368278	/nfs/dbraw/zinc/36/82/78/821368278.db2.gz	JHBBVMAEDHISSH-UGSOOPFHSA-N	1	0	352.398	1.159	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C2CN(C(C)=O)C2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087554552	821427895	/nfs/dbraw/zinc/42/78/95/821427895.db2.gz	LQDFGZOUGRTGMM-VQTJNVASSA-N	1	0	353.466	1.486	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)Cc2nnc(C)o2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087563389	821505644	/nfs/dbraw/zinc/50/56/44/821505644.db2.gz	UJASOVFDDQHPNH-DLBZAZTESA-N	1	0	353.426	1.962	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087622642	821782880	/nfs/dbraw/zinc/78/28/80/821782880.db2.gz	YUHSJQGLTRKEJM-XWPNQZOQSA-N	1	0	370.497	1.746	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087628020	821807557	/nfs/dbraw/zinc/80/75/57/821807557.db2.gz	XTLAPGHZLSZEEJ-CEXWTWQISA-N	1	0	368.481	1.896	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2COCCN2CC)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087632916	821840960	/nfs/dbraw/zinc/84/09/60/821840960.db2.gz	DGWZFHBLSJKTBZ-ZCNNSNEGSA-N	1	0	370.497	1.748	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCN(C)C2=O)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087692471	822067406	/nfs/dbraw/zinc/06/74/06/822067406.db2.gz	RSVXFGSYPJAKNF-HRCADAONSA-N	1	0	360.483	1.567	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)cn2)CC[N@@H+]1Cc1ccc(C#N)c(F)c1	ZINC001087705269	822134119	/nfs/dbraw/zinc/13/41/19/822134119.db2.gz	FTWRGNBGFUMNHC-DOTOQJQBSA-N	1	0	369.400	1.564	20	30		FDEDRO
C=C1CCC(C(=O)N[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)[C@@H]2CC)CC1	ZINC001087711925	822164539	/nfs/dbraw/zinc/16/45/39/822164539.db2.gz	GCDOKIJGWUHEHX-DLBZAZTESA-N	1	0	361.486	1.851	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087713221	822168263	/nfs/dbraw/zinc/16/82/63/822168263.db2.gz	AAMYUOBQTXAAJG-DZGCQCFKSA-N	1	0	359.455	1.842	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cccnc3C)[C@@H]2CC)nn1	ZINC001087754008	822368599	/nfs/dbraw/zinc/36/85/99/822368599.db2.gz	KREJKDJNKGDITN-FUHWJXTLSA-N	1	0	354.458	1.950	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCC(=O)N2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087759195	822373293	/nfs/dbraw/zinc/37/32/93/822373293.db2.gz	FXGZVJFYKXXDEG-FGTMMUONSA-N	1	0	354.454	1.696	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccnc(C)c3)[C@H]2CC)C1=O	ZINC001087768208	822401986	/nfs/dbraw/zinc/40/19/86/822401986.db2.gz	QQFYGTQFEIAHBN-KSZLIROESA-N	1	0	356.470	1.760	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCCc3nc(C)no3)[C@@H]2CC)nc1	ZINC001087800056	822459085	/nfs/dbraw/zinc/45/90/85/822459085.db2.gz	ATAKTONXVDHPCI-FUHWJXTLSA-N	1	0	367.453	1.970	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCn3nc(C)nc3C)[C@@H]2CC)cn1	ZINC001087802978	822462901	/nfs/dbraw/zinc/46/29/01/822462901.db2.gz	VEQFJDWFSOJAAH-RBUKOAKNSA-N	1	0	366.469	1.554	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)C(C)(F)F)[C@H]2CC)CC1	ZINC000984410377	822501240	/nfs/dbraw/zinc/50/12/40/822501240.db2.gz	ABSYOVKMMSUBDN-LSDHHAIUSA-N	1	0	355.429	1.483	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3nccn3C)[C@@H]2CC)CC1	ZINC001087840472	822559640	/nfs/dbraw/zinc/55/96/40/822559640.db2.gz	ZCUAXWZBLLKAEI-ZWKOTPCHSA-N	1	0	357.502	1.234	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCC3(F)F)C[C@@H]2O)c[nH]1	ZINC001083418661	822639464	/nfs/dbraw/zinc/63/94/64/822639464.db2.gz	UFGKVUUHRVJXAV-YUELXQCFSA-N	1	0	352.385	1.487	20	30		FDEDRO
N#Cc1cc(S(N)(=O)=O)ccc1N[C@H]1CCC[N@@H+]2CCSC[C@@H]12	ZINC000895571785	822654775	/nfs/dbraw/zinc/65/47/75/822654775.db2.gz	OURUSGQXQAJEMJ-GJZGRUSLSA-N	1	0	352.485	1.197	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccc(=O)[nH]n4)C[C@@H]3C2)c1	ZINC001087870905	822656764	/nfs/dbraw/zinc/65/67/64/822656764.db2.gz	JCVNTIMNQSAFSP-SJORKVTESA-N	1	0	363.421	1.648	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cccs4)C[C@@H]3C2)C1=O	ZINC001087872503	822664045	/nfs/dbraw/zinc/66/40/45/822664045.db2.gz	IDYWZHQMWGKZCQ-PMPSAXMXSA-N	1	0	359.495	1.929	20	30		FDEDRO
C[C@]1(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCNC1=O	ZINC000895594037	822667011	/nfs/dbraw/zinc/66/70/11/822667011.db2.gz	FWTREHVUJXRHPN-IBGZPJMESA-N	1	0	355.442	1.100	20	30		FDEDRO
N#Cc1c(F)cccc1N1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1	ZINC000895695620	822709185	/nfs/dbraw/zinc/70/91/85/822709185.db2.gz	ZVHQLQCTBVEGIW-UHFFFAOYSA-N	1	0	372.444	1.457	20	30		FDEDRO
C=C(C)C[C@H](CO)[NH2+]C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1	ZINC000895712828	822714145	/nfs/dbraw/zinc/71/41/45/822714145.db2.gz	DMQYEAVSXWKIIW-HZPDHXFCSA-N	1	0	369.506	1.666	20	30		FDEDRO
N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4cccn4)C[C@@H]3C2)c1	ZINC001087884705	822714935	/nfs/dbraw/zinc/71/49/35/822714935.db2.gz	DTRPOCCJRCWLAZ-AEFFLSMTSA-N	1	0	367.428	1.874	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ncoc4C)C[C@@H]3C2)C1=O	ZINC001087904240	822785468	/nfs/dbraw/zinc/78/54/68/822785468.db2.gz	ZSWYGAJKROGHFQ-PMPSAXMXSA-N	1	0	358.442	1.164	20	30		FDEDRO
CCNC(=O)c1cccc(NC(=O)CON=C(N)c2ccc(F)cc2)c1	ZINC000022183496	828499953	/nfs/dbraw/zinc/49/99/53/828499953.db2.gz	LVKGYXSITAOVMT-UHFFFAOYSA-N	1	0	358.373	1.851	20	30		FDEDRO
Cn1cc(CC(=O)N2C[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)CC[C@@H]3C2)cn1	ZINC001087906373	823735615	/nfs/dbraw/zinc/73/56/15/823735615.db2.gz	CFUQQIJBSSIEOB-UXHICEINSA-N	1	0	363.465	1.815	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4cc[nH]n4)C[C@@H]3C2)c(F)c1	ZINC001087917104	823826084	/nfs/dbraw/zinc/82/60/84/823826084.db2.gz	CXJCAWQZVWJCNA-WBVHZDCISA-N	1	0	367.428	1.943	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCNC(=O)C4)C[C@@H]3C2)cc1	ZINC001087932705	823970833	/nfs/dbraw/zinc/97/08/33/823970833.db2.gz	JKUNKQYJPYMOQY-QRVBRYPASA-N	1	0	366.465	1.365	20	30		FDEDRO
CN1CCOC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@@H]2C1	ZINC001087940662	824037689	/nfs/dbraw/zinc/03/76/89/824037689.db2.gz	RSUQEAMWGWTJAD-HSALFYBXSA-N	1	0	368.481	1.169	20	30		FDEDRO
O=C(CC1OCCCO1)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001087944871	824050088	/nfs/dbraw/zinc/05/00/88/824050088.db2.gz	UYZWNCIPRYKXBU-UXHICEINSA-N	1	0	368.477	1.972	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4C#N)CC[C@@H]3C2)o1	ZINC001087956843	824147871	/nfs/dbraw/zinc/14/78/71/824147871.db2.gz	LRBIDZVDBTXTOM-MSOLQXFVSA-N	1	0	365.437	1.773	20	30		FDEDRO
CCn1ncc(C(=O)N2C[C@@H]3C[N@@H+](CC#Cc4ccccc4)CC[C@@H]3C2)n1	ZINC001087957283	824153641	/nfs/dbraw/zinc/15/36/41/824153641.db2.gz	JDOPYXRFIWTWIX-MOPGFXCFSA-N	1	0	363.465	1.744	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(CC)ccn4)[C@@H]3C2)C1=O	ZINC001075827305	824157670	/nfs/dbraw/zinc/15/76/70/824157670.db2.gz	OYPRMDJHRLAAIF-YTQUADARSA-N	1	0	368.481	1.577	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H]2C[N@@H+](CC3CCS(=O)(=O)CC3)CC[C@@H]2C1	ZINC001087961720	824182292	/nfs/dbraw/zinc/18/22/92/824182292.db2.gz	HFYRAEJDNVIUMS-MSOLQXFVSA-N	1	0	364.511	1.005	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCCc2cccc(F)c2)C[C@H]1NC(=O)CSCC#N	ZINC001211886784	824187328	/nfs/dbraw/zinc/18/73/28/824187328.db2.gz	ZARCXJZMVCKSIZ-IAGOWNOFSA-N	1	0	365.474	1.830	20	30		FDEDRO
CC[NH+]=C(NCC1(O)CCCCC1)N1CCN(Cc2cc(C)on2)CC1	ZINC000262260007	824201701	/nfs/dbraw/zinc/20/17/01/824201701.db2.gz	QZASNXLMQVKWMT-UHFFFAOYSA-N	1	0	363.506	1.761	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3coc(S(C)(=O)=O)c3)C[C@@H]2C1	ZINC001087972373	824302221	/nfs/dbraw/zinc/30/22/21/824302221.db2.gz	ZZJIKDFCEMBGBU-HIFRSBDPSA-N	1	0	352.456	1.653	20	30		FDEDRO
CC[C@H](C#N)Oc1cc(CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)ccc1OC	ZINC000896343388	824344722	/nfs/dbraw/zinc/34/47/22/824344722.db2.gz	UHLOAXVNTCGNCX-DLBZAZTESA-N	1	0	373.453	1.713	20	30		FDEDRO
COC(=O)[C@@](C)(C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(F)cc1	ZINC000447032782	828644554	/nfs/dbraw/zinc/64/45/54/828644554.db2.gz	ATYKIDDRPFHUDE-XLIONFOSSA-N	1	0	369.396	1.944	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)NCC#C[C@H]3CCCCO3)cc2)CC1	ZINC000896444850	824417974	/nfs/dbraw/zinc/41/79/74/824417974.db2.gz	ORTRBIWSFOLBLM-HXUWFJFHSA-N	1	0	370.497	1.810	20	30		FDEDRO
NC(=O)[C@@H]1C[C@@H](F)CN1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000329008447	824532923	/nfs/dbraw/zinc/53/29/23/824532923.db2.gz	ZSNKXMYDHSXCDE-CABCVRRESA-N	1	0	370.469	1.926	20	30		FDEDRO
Cc1noc([C@H](NC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C2CCOCC2)n1	ZINC000329085665	824568528	/nfs/dbraw/zinc/56/85/28/824568528.db2.gz	UIZFRSRGFSDEGN-DJSGYFEHSA-N	1	0	363.462	1.975	20	30		FDEDRO
Cn1ncc2c1CCC[C@@H]2NC(=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000329093407	824577707	/nfs/dbraw/zinc/57/77/07/824577707.db2.gz	AOOCLDJWIZULDZ-INIZCTEOSA-N	1	0	361.490	1.946	20	30		FDEDRO
CC(C)N1C(=O)N[C@@H]2CN(C(=O)NCCN3CCOC(C)(C)C3)CC[C@@H]21	ZINC000329137120	824618648	/nfs/dbraw/zinc/61/86/48/824618648.db2.gz	RGJFWJFKCWYFJT-CABCVRRESA-N	1	0	367.494	1.092	20	30		FDEDRO
Cc1ccn2cc(C(=O)NC3CC[NH+]([C@@H]4CCN(C)C4=O)CC3)nc2c1	ZINC000329183579	824652863	/nfs/dbraw/zinc/65/28/63/824652863.db2.gz	OXTDNBNOHBVIBX-MRXNPFEDSA-N	1	0	355.442	1.642	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC001059428148	824660966	/nfs/dbraw/zinc/66/09/66/824660966.db2.gz	UMHFGQXLTYGKIF-UWWQBHOKSA-N	1	0	371.485	1.585	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@H](C)C3CC3)[C@H]2CC)CC1	ZINC000984743680	824682451	/nfs/dbraw/zinc/68/24/51/824682451.db2.gz	NJTWRZBMMBVSSN-AYOQOUSVSA-N	1	0	359.514	1.873	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000984744563	824686258	/nfs/dbraw/zinc/68/62/58/824686258.db2.gz	HYOHEGUJPCOOLX-OWIUFQIYSA-N	1	0	371.485	1.726	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)C[N@@H+]1C1CC1	ZINC000329248375	824693131	/nfs/dbraw/zinc/69/31/31/824693131.db2.gz	WPVRUESUYJMDHR-PMPSAXMXSA-N	1	0	363.506	1.795	20	30		FDEDRO
CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)C1	ZINC000329269695	824703247	/nfs/dbraw/zinc/70/32/47/824703247.db2.gz	FGXAVCYJSZSLLM-IAGOWNOFSA-N	1	0	365.522	1.997	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)C[N@@H+]1CC[C@@H](C)C1	ZINC000984751688	824707318	/nfs/dbraw/zinc/70/73/18/824707318.db2.gz	QTQNSRRQRGSFES-UKPHBRMFSA-N	1	0	357.458	1.337	20	30		FDEDRO
CN(C)C(=O)CN1CCC(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1	ZINC000329312348	824730807	/nfs/dbraw/zinc/73/08/07/824730807.db2.gz	ANCLQJFKGASZFV-SJPCQFCGSA-N	1	0	365.522	1.010	20	30		FDEDRO
Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCO[C@@H]3CCC[C@H]32)CCC[N@@H+]1C	ZINC000329344615	824747735	/nfs/dbraw/zinc/74/77/35/824747735.db2.gz	QPDOLOIKKZXHHL-BURFUSLBSA-N	1	0	361.490	1.970	20	30		FDEDRO
Cn1cc(NC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)ccc1=O	ZINC000329408276	824774811	/nfs/dbraw/zinc/77/48/11/824774811.db2.gz	DDNXJLMXJJNTMI-UHFFFAOYSA-N	1	0	361.490	1.280	20	30		FDEDRO
C[C@H](CNC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1)[NH+]1CCC(C)CC1	ZINC000329428308	824781833	/nfs/dbraw/zinc/78/18/33/824781833.db2.gz	JLXGEGZDIIDNMY-IXDOHACOSA-N	1	0	367.490	1.470	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)NC1=O	ZINC000329438128	824786915	/nfs/dbraw/zinc/78/69/15/824786915.db2.gz	MHIFPEFAKDWFQJ-GNTLTTKYSA-N	1	0	363.462	1.880	20	30		FDEDRO
CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O	ZINC000329438983	824787358	/nfs/dbraw/zinc/78/73/58/824787358.db2.gz	JOXYDOBUWDKSCK-ZWKOTPCHSA-N	1	0	358.486	1.975	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)[C@@]12CCCO2	ZINC000329443428	824794758	/nfs/dbraw/zinc/79/47/58/824794758.db2.gz	AUYGTKIQLRPZKO-BMFAXAFESA-N	1	0	367.490	1.281	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1	ZINC000329478388	824822763	/nfs/dbraw/zinc/82/27/63/824822763.db2.gz	OQSMJTLQEGYZGI-KRWDZBQOSA-N	1	0	366.506	1.141	20	30		FDEDRO
Cc1noc([C@H](NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C2CCOCC2)n1	ZINC000329527312	824854112	/nfs/dbraw/zinc/85/41/12/824854112.db2.gz	UGFMLDQLBVFUGM-HZPDHXFCSA-N	1	0	363.462	1.930	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC000984812764	824989507	/nfs/dbraw/zinc/98/95/07/824989507.db2.gz	JSCMBDZKPXDDHX-XLAORIBOSA-N	1	0	354.454	1.267	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cnc[nH]c4=O)C[C@@H]3C2)s1	ZINC001088006836	825154100	/nfs/dbraw/zinc/15/41/00/825154100.db2.gz	CQXXYRDWLCTZKW-OLZOCXBDSA-N	1	0	369.450	1.709	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCC[N@@H+](CC)C1CCCCC1	ZINC000653434846	825262197	/nfs/dbraw/zinc/26/21/97/825262197.db2.gz	MDWUBIFCKGQZLK-WMZOPIPTSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H]3C[N@H+](CC(=O)N(C)C)CC[C@@H]3C2)cc1	ZINC001088016433	825271861	/nfs/dbraw/zinc/27/18/61/825271861.db2.gz	DYRGFHBNGSYYSE-MSOLQXFVSA-N	1	0	371.481	1.734	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cnc4ccc(OC)nn43)C[C@@H]2C1	ZINC001088017912	825291587	/nfs/dbraw/zinc/29/15/87/825291587.db2.gz	YUCYKOBIPWNNJC-CABCVRRESA-N	1	0	353.426	1.155	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1CC	ZINC000984898325	825294063	/nfs/dbraw/zinc/29/40/63/825294063.db2.gz	IQCIVUUKJORXOW-VQTJNVASSA-N	1	0	367.493	1.802	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@H](CCO)C3)cn2)CC1	ZINC000329685674	825302890	/nfs/dbraw/zinc/30/28/90/825302890.db2.gz	BDIZMNGWGHDTQS-MRXNPFEDSA-N	1	0	361.490	1.342	20	30		FDEDRO
CC(C)[C@H](CNC(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C)N1CCOCC1	ZINC000329738108	825408727	/nfs/dbraw/zinc/40/87/27/825408727.db2.gz	UBTQKGPLWHPAGM-KURKYZTESA-N	1	0	368.522	1.052	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c(c3)N(C)C(=O)C4)C[C@@H]2C1	ZINC001088029194	825433687	/nfs/dbraw/zinc/43/36/87/825433687.db2.gz	ARQUZYKPUFZTTM-MSOLQXFVSA-N	1	0	351.450	1.623	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)N2CCN(c3ccc4nncn4n3)CC2)CC1	ZINC000329776725	825448316	/nfs/dbraw/zinc/44/83/16/825448316.db2.gz	OIUNLSSLHUZRDN-UHFFFAOYSA-N	1	0	372.477	1.035	20	30		FDEDRO
C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)cn2)CCO1	ZINC000329791467	825458247	/nfs/dbraw/zinc/45/82/47/825458247.db2.gz	DQVIQOHVOLLESB-ZMSDIMECSA-N	1	0	361.490	1.793	20	30		FDEDRO
Cc1cc(N2CCC[C@H](NC(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)C2=O)n(C)n1	ZINC000329816060	825478179	/nfs/dbraw/zinc/47/81/79/825478179.db2.gz	VSGDIOMWHOJFGX-ZNMIVQPWSA-N	1	0	362.478	1.210	20	30		FDEDRO
Cc1noc([C@H]2C[C@@H](O)CN2C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)n1	ZINC000329892430	825525196	/nfs/dbraw/zinc/52/51/96/825525196.db2.gz	AGUXQCSTIHPPPQ-DRRHNWJESA-N	1	0	365.478	1.910	20	30		FDEDRO
CC(C)[C@H](CNC(=O)N1CCO[C@]2(CCO[C@H]2C)C1)[NH+]1CCN(C)CC1	ZINC000329929860	825548098	/nfs/dbraw/zinc/54/80/98/825548098.db2.gz	ZDEGHMZNCKTQSG-JENIJYKNSA-N	1	0	368.522	1.052	20	30		FDEDRO
C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1nnc2n1CCCCC2	ZINC000329977318	825573596	/nfs/dbraw/zinc/57/35/96/825573596.db2.gz	GABXVADXTBPLAJ-HNNXBMFYSA-N	1	0	363.510	1.034	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1nnc2n1CCCCC2	ZINC000329977320	825573656	/nfs/dbraw/zinc/57/36/56/825573656.db2.gz	GABXVADXTBPLAJ-OAHLLOKOSA-N	1	0	363.510	1.034	20	30		FDEDRO
O=C(Nc1cccnc1-n1cncn1)N1CC[NH+](C2CCOCC2)CC1	ZINC000329985878	825578113	/nfs/dbraw/zinc/57/81/13/825578113.db2.gz	DSQUHICRDBYGEA-UHFFFAOYSA-N	1	0	357.418	1.004	20	30		FDEDRO
O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1cn([C@H]2CCOC2)nn1	ZINC000330054412	825613341	/nfs/dbraw/zinc/61/33/41/825613341.db2.gz	RYDUXUDPDWLLCP-HNNXBMFYSA-N	1	0	363.462	1.579	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC000984947409	825621956	/nfs/dbraw/zinc/62/19/56/825621956.db2.gz	UKXLOGAUHKHIBC-CWLKWCNXSA-N	1	0	371.485	1.726	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cn(C)nc3[C@@H]3CCOC3)C[C@@H]2C1	ZINC001088054734	825658664	/nfs/dbraw/zinc/65/86/64/825658664.db2.gz	SELXSCNYLPGZKN-ZACQAIPSSA-N	1	0	356.470	1.341	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cn4cc(F)ccc4n3)C[C@@H]2C1	ZINC001088056513	825703118	/nfs/dbraw/zinc/70/31/18/825703118.db2.gz	ARUPKEIZHXUHOC-CVEARBPZSA-N	1	0	354.429	1.820	20	30		FDEDRO
Cc1n[nH]nc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@@H]2C1	ZINC001088062596	825756175	/nfs/dbraw/zinc/75/61/75/825756175.db2.gz	NDYCTVBZAFWQME-SJORKVTESA-N	1	0	350.426	1.579	20	30		FDEDRO
[O-]C(=[NH+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCC(n2ccnc2)CC1	ZINC000330298950	825826058	/nfs/dbraw/zinc/82/60/58/825826058.db2.gz	HSTGASCHKUVKNE-MSOLQXFVSA-N	1	0	361.490	1.812	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)N3CC[C@H](O)C34CCCC4)CC2)CC1	ZINC000330360908	825982614	/nfs/dbraw/zinc/98/26/14/825982614.db2.gz	XRVLMPQKUNRPEM-SFHVURJKSA-N	1	0	364.534	1.838	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@@H]1CC	ZINC000984986345	825985962	/nfs/dbraw/zinc/98/59/62/825985962.db2.gz	GZHJJAAGEQZTEJ-RCCFBDPRSA-N	1	0	371.485	1.870	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[C@H]5C[C@H]5C4)C[C@@H]3C2)C1=O	ZINC001088077712	826061318	/nfs/dbraw/zinc/06/13/18/826061318.db2.gz	NFTIJQQHSQGSTM-SVMUCYCZSA-N	1	0	357.498	1.600	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2CC(F)(F)C2)[C@@H]1CC	ZINC000985047815	826232700	/nfs/dbraw/zinc/23/27/00/826232700.db2.gz	ROOFUHMNSVNMBI-XHSDSOJGSA-N	1	0	367.440	1.625	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2cn(C)nc2C)C[C@H]1C(F)(F)F	ZINC001112175329	826239429	/nfs/dbraw/zinc/23/94/29/826239429.db2.gz	WRTKNDGEXOVVPC-HUUCEWRRSA-N	1	0	356.392	1.663	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000985066296	826269799	/nfs/dbraw/zinc/26/97/99/826269799.db2.gz	QTMRRVSBWCLDLJ-DOTOQJQBSA-N	1	0	357.458	1.337	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)Nc2ncccc2OCCCC#N)CC1(C)C	ZINC000281918579	826312978	/nfs/dbraw/zinc/31/29/78/826312978.db2.gz	SPOUVMFWILGWLA-UHFFFAOYSA-N	1	0	374.489	1.912	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)CC[C@@H]2C1	ZINC001088093739	826347396	/nfs/dbraw/zinc/34/73/96/826347396.db2.gz	LYXQEPNVQGTPKI-GQIGUUNPSA-N	1	0	361.486	1.518	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3C[N@H+](CC(=O)N(C)C4CC4)CC[C@@H]3C2)c1	ZINC001088099670	826390773	/nfs/dbraw/zinc/39/07/73/826390773.db2.gz	WEMVNMKKQJCZAR-AEFFLSMTSA-N	1	0	366.465	1.078	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H]3C[N@@H+](C[C@@H]4CCc5ncnn54)CC[C@@H]3C2)C1	ZINC001088098682	826392139	/nfs/dbraw/zinc/39/21/39/826392139.db2.gz	WOWPULBGHPVYGF-IKGGRYGDSA-N	1	0	355.486	1.902	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3C[N@H+](Cc4ocnc4C)CC[C@@H]3C2)c1	ZINC001088099819	826395540	/nfs/dbraw/zinc/39/55/40/826395540.db2.gz	DYMLWBULEVNQIK-AEFFLSMTSA-N	1	0	350.422	1.953	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(CN4CCCC4)on3)C[C@@H]2C1	ZINC001088107223	826421506	/nfs/dbraw/zinc/42/15/06/826421506.db2.gz	NEXCDDYUMQIINH-SJORKVTESA-N	1	0	356.470	1.688	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4conc4C)CC[C@@H]3C2)nn1	ZINC001088133128	826572108	/nfs/dbraw/zinc/57/21/08/826572108.db2.gz	SJODDXDXDVXYTJ-CABCVRRESA-N	1	0	356.430	1.355	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@@H]4CCC(=O)N4)C[C@@H]3C2)c1	ZINC001088138008	826620378	/nfs/dbraw/zinc/62/03/78/826620378.db2.gz	OYNSUGAZBJGBMY-QYZOEREBSA-N	1	0	366.465	1.507	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cnon4)C[C@@H]3C2)c(F)c1	ZINC001088145601	826707361	/nfs/dbraw/zinc/70/73/61/826707361.db2.gz	MBBZPQOGSGCATB-HIFRSBDPSA-N	1	0	355.373	1.674	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C[C@@H]2C1	ZINC001088149837	826747736	/nfs/dbraw/zinc/74/77/36/826747736.db2.gz	YIFQSMFAOQIUIL-CABCVRRESA-N	1	0	360.458	1.485	20	30		FDEDRO
C[NH+]=C(N[C@@H]1C[C@](C)(OC)C1(C)C)N[C@@H]1CCCN(c2cnn(C)c2)C1	ZINC000262432730	826766538	/nfs/dbraw/zinc/76/65/38/826766538.db2.gz	SRRGUJMNNIGEEJ-OGWOLHLISA-N	1	0	362.522	1.758	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(C4CCOCC4)nn3)C[C@@H]2C1	ZINC001088163108	826930818	/nfs/dbraw/zinc/93/08/18/826930818.db2.gz	AETAZAFNCVWZLE-CVEARBPZSA-N	1	0	359.474	1.600	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCCS(=O)(=O)C3)C[C@@H]2C1	ZINC001088163266	826931107	/nfs/dbraw/zinc/93/11/07/826931107.db2.gz	GMHLEKKLIQAHPA-BBWFWOEESA-N	1	0	352.500	1.005	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2CC)cn1	ZINC000985211455	826937442	/nfs/dbraw/zinc/93/74/42/826937442.db2.gz	CAVXXBHYDOOOOM-ZWKOTPCHSA-N	1	0	354.454	1.268	20	30		FDEDRO
C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]3CC)C[C@@H]2C1	ZINC001088164158	826938766	/nfs/dbraw/zinc/93/87/66/826938766.db2.gz	XQEZGJUNSLILHL-PMPSAXMXSA-N	1	0	353.894	1.920	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC[C@@H](C)[NH+](C)C)cc1	ZINC000665608680	827119541	/nfs/dbraw/zinc/11/95/41/827119541.db2.gz	HMFFENHEFKZXPM-CQSZACIVSA-N	1	0	368.503	1.955	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC000985313300	827249249	/nfs/dbraw/zinc/24/92/49/827249249.db2.gz	LBYGLFSZUGAIAV-ILXVDBEPSA-N	1	0	371.485	1.726	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4cnc(C)nc4)CC[C@@H]3C2)nc1	ZINC001088174191	827255255	/nfs/dbraw/zinc/25/52/55/827255255.db2.gz	LDBRTDQSCCGBAG-MOPGFXCFSA-N	1	0	361.449	1.755	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCCNC3=O)CC[C@@H]2C1	ZINC001088183560	827307498	/nfs/dbraw/zinc/30/74/98/827307498.db2.gz	MBSDKVIHYDTNBW-AABGKKOBSA-N	1	0	365.477	1.269	20	30		FDEDRO
C=C(Cl)CN1CC[C@@H]2CN(C(=O)C[C@H]3CCCCC(=O)N3)C[C@@H]2C1	ZINC001088183602	827307875	/nfs/dbraw/zinc/30/78/75/827307875.db2.gz	OCPFXKPAODGKQR-OWCLPIDISA-N	1	0	353.894	1.968	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(CNC(N)=O)cc3)C[C@@H]2C1	ZINC001088195463	827404260	/nfs/dbraw/zinc/40/42/60/827404260.db2.gz	GBAIOIOJNHKHRN-MSOLQXFVSA-N	1	0	354.454	1.272	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccnc(NC(C)=O)c2)C[C@H]1C(F)(F)F	ZINC001112181941	827589176	/nfs/dbraw/zinc/58/91/76/827589176.db2.gz	FXBKSYDKBPKXIO-ZIAGYGMSSA-N	1	0	368.359	1.656	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1	ZINC001088237769	827636490	/nfs/dbraw/zinc/63/64/90/827636490.db2.gz	CEEGHWMJKKBRKV-KSZLIROESA-N	1	0	363.502	1.404	20	30		FDEDRO
CC[N@H+](CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)CC(N)=O	ZINC000475547800	827900843	/nfs/dbraw/zinc/90/08/43/827900843.db2.gz	MDOYMCUQRCQAKR-UHFFFAOYSA-N	1	0	371.441	1.754	20	30		FDEDRO
C=C(C)CNC(=[NH2+])NCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1	ZINC000304749272	827995076	/nfs/dbraw/zinc/99/50/76/827995076.db2.gz	HPEXTFUGXCFDHV-UHFFFAOYSA-N	1	0	374.485	1.849	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC000985493595	828020406	/nfs/dbraw/zinc/02/04/06/828020406.db2.gz	GEMMPLHLNWGIPX-DOTOQJQBSA-N	1	0	371.485	1.728	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cnn(C)c2)C[C@H]1C(F)(F)F	ZINC001112186840	828051787	/nfs/dbraw/zinc/05/17/87/828051787.db2.gz	IOXAVWJWOPMHMN-ZIAGYGMSSA-N	1	0	356.392	1.700	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1CC	ZINC000985515301	828076000	/nfs/dbraw/zinc/07/60/00/828076000.db2.gz	WLRJWIVOVINPBE-XDNAFOTISA-N	1	0	363.502	1.415	20	30		FDEDRO
Cc1cc(C(=O)NCCCN2CC[NH+](C)CC2)nn1-c1cccc(C#N)c1	ZINC000508525247	828285764	/nfs/dbraw/zinc/28/57/64/828285764.db2.gz	DILOBJUITKTSRB-UHFFFAOYSA-N	1	0	366.469	1.420	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1=O	ZINC000985667466	828897667	/nfs/dbraw/zinc/89/76/67/828897667.db2.gz	MNNHEUJMPWOSBQ-BDXSIMOUSA-N	1	0	361.486	1.264	20	30		FDEDRO
CC1(C)C[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C[C@@H]1O	ZINC000447922593	828937261	/nfs/dbraw/zinc/93/72/61/828937261.db2.gz	AXKCOJBAECXATL-HOCLYGCPSA-N	1	0	362.499	1.160	20	30		FDEDRO
CN(C(=O)c1cnn(C)c1C#N)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1	ZINC000527252657	829004749	/nfs/dbraw/zinc/00/47/49/829004749.db2.gz	XDNSGXFUYFSERL-MSOLQXFVSA-N	1	0	372.517	1.701	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)c4ccc[nH]4)C[C@@H]3C2)CC1	ZINC000985719379	829176710	/nfs/dbraw/zinc/17/67/10/829176710.db2.gz	AVPDFTWCKVDGCJ-MSOLQXFVSA-N	1	0	368.481	1.280	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccc(CNC(=O)c3ccc(C#N)n3C)cc2)CC1	ZINC000448712515	829223264	/nfs/dbraw/zinc/22/32/64/829223264.db2.gz	YRFIDISWTDTSHK-UHFFFAOYSA-N	1	0	365.481	1.964	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)Nc1ccc(F)cc1	ZINC001168101671	829239659	/nfs/dbraw/zinc/23/96/59/829239659.db2.gz	WKVKNGBKQQIYEP-WMZOPIPTSA-N	1	0	363.433	1.841	20	30		FDEDRO
C[C@@H]1C[C@@]1(C#N)C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000448838386	829262191	/nfs/dbraw/zinc/26/21/91/829262191.db2.gz	YAURDKYYFRFUCA-LQWHRVPQSA-N	1	0	367.497	1.992	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C[C@@H](O)COc1ccccc1C#N	ZINC000528481178	829420403	/nfs/dbraw/zinc/42/04/03/829420403.db2.gz	QSVNPYRDZKXOOF-QFBILLFUSA-N	1	0	359.470	1.483	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O	ZINC000528521574	829435364	/nfs/dbraw/zinc/43/53/64/829435364.db2.gz	SFAQXGBHXZLCPX-QRVBRYPASA-N	1	0	352.434	1.911	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CCN1CC[C@H]([C@H](O)C(F)(F)F)C1	ZINC000528522288	829435588	/nfs/dbraw/zinc/43/55/88/829435588.db2.gz	VTHZYDQTIQSZJY-WFASDCNBSA-N	1	0	366.339	1.531	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001088396280	829448282	/nfs/dbraw/zinc/44/82/82/829448282.db2.gz	COUXGIBAEUNLRZ-WSTZPKSXSA-N	1	0	368.481	1.595	20	30		FDEDRO
Cn1cc(C[NH2+]C[C@H]2CCCCN2CCO)c(-c2ccc(C#N)cc2)n1	ZINC000449396774	829473280	/nfs/dbraw/zinc/47/32/80/829473280.db2.gz	SKSLGDURSHBMAC-LJQANCHMSA-N	1	0	353.470	1.895	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)Cc3cccnc3)[C@H]2C)CC1	ZINC000987600475	833412287	/nfs/dbraw/zinc/41/22/87/833412287.db2.gz	WRSNWWXSUCRNIV-APWZRJJASA-N	1	0	368.481	1.075	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]C[C@H](O)COc1ccccc1	ZINC001168109583	829529946	/nfs/dbraw/zinc/52/99/46/829529946.db2.gz	BYUODDCRKUALSA-WDSOQIARSA-N	1	0	362.470	1.503	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]Cc1cnn(-c2ccccc2)n1	ZINC001168109735	829534356	/nfs/dbraw/zinc/53/43/56/829534356.db2.gz	GHSUOHSHZHCZJB-OALUTQOASA-N	1	0	369.469	1.844	20	30		FDEDRO
N#Cc1ccc(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cn1	ZINC000528917936	829619496	/nfs/dbraw/zinc/61/94/96/829619496.db2.gz	MQTWRFWERMAFDB-ICSRJNTNSA-N	1	0	364.449	1.495	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C[C@H]1[NH+](C)C	ZINC000449986082	829743945	/nfs/dbraw/zinc/74/39/45/829743945.db2.gz	NWJSEYDPUNMEDX-SUYBPPKGSA-N	1	0	374.872	1.973	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C[C@@H]1[NH+](C)C	ZINC000449986081	829744067	/nfs/dbraw/zinc/74/40/67/829744067.db2.gz	NWJSEYDPUNMEDX-MRRJBJDNSA-N	1	0	374.872	1.973	20	30		FDEDRO
Cc1[nH]c(C#N)cc1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1	ZINC000450061000	829779077	/nfs/dbraw/zinc/77/90/77/829779077.db2.gz	KVNYTNFHBDCVTR-UHFFFAOYSA-N	1	0	359.474	1.551	20	30		FDEDRO
CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000529319689	829826280	/nfs/dbraw/zinc/82/62/80/829826280.db2.gz	CAAJFJJVOVAHMH-ZWKOTPCHSA-N	1	0	369.469	1.693	20	30		FDEDRO
N#Cc1ccnc(N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)n1	ZINC000450293794	829912606	/nfs/dbraw/zinc/91/26/06/829912606.db2.gz	KQWJFGUBFDADDW-QGZVFWFLSA-N	1	0	363.469	1.782	20	30		FDEDRO
O=C1CC[C@@H]2CN(C(NCCc3ccco3)=[NH+]C[C@@H]3CCCO3)CCN12	ZINC000262670875	830010606	/nfs/dbraw/zinc/01/06/06/830010606.db2.gz	PJXNDBWYHXXXAJ-WBVHZDCISA-N	1	0	360.458	1.253	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4cnc[nH]c4=O)[C@@H]3C2)s1	ZINC001075925387	837411985	/nfs/dbraw/zinc/41/19/85/837411985.db2.gz	JVBFBMNFPMCHTN-XHDPSFHLSA-N	1	0	355.423	1.462	20	30		FDEDRO
N#Cc1cc(NC[C@@H]2CCCC[N@H+]2CCO)nc2ccc([N+](=O)[O-])cc12	ZINC000450616417	830049057	/nfs/dbraw/zinc/04/90/57/830049057.db2.gz	PWLHWHWODQZJAK-HNNXBMFYSA-N	1	0	355.398	2.273	20	30		FDEDRO
CC1([NH+]2CCOCC2)CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1	ZINC000529910479	830086550	/nfs/dbraw/zinc/08/65/50/830086550.db2.gz	UEVLEHXUIIUIDI-IBGZPJMESA-N	1	0	366.465	1.954	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C4CC(C)C4)C[C@@H]3C2)CC1	ZINC000985932109	830147215	/nfs/dbraw/zinc/14/72/15/830147215.db2.gz	GXKYREZYROPKGS-MLFFRYNPSA-N	1	0	371.525	1.685	20	30		FDEDRO
CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C1)[NH+](C)C	ZINC000985980299	830236119	/nfs/dbraw/zinc/23/61/19/830236119.db2.gz	VIRKUUPAXOAFKY-KMFMINBZSA-N	1	0	357.458	1.147	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@H]1CC(=O)N(Cc2ccc(OC)cc2)C1	ZINC000729812380	837438545	/nfs/dbraw/zinc/43/85/45/837438545.db2.gz	UHCAZAYWZLEDER-ZWKOTPCHSA-N	1	0	370.449	1.685	20	30		FDEDRO
C#CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2OCCO[C@H]2C)C1	ZINC001105427617	830419701	/nfs/dbraw/zinc/41/97/01/830419701.db2.gz	WOHOFVHPBBJBIP-MCNSAMFCSA-N	1	0	356.466	1.620	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1	ZINC000986068863	830482640	/nfs/dbraw/zinc/48/26/40/830482640.db2.gz	UYVWXKKHRZUGAB-CEXWTWQISA-N	1	0	357.498	1.581	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](C(=O)NC[C@@H]3CCCC[N@H+]3CCO)C2)c(F)c1	ZINC000452382618	830628605	/nfs/dbraw/zinc/62/86/05/830628605.db2.gz	YRUZIFHFUZKLOE-IRXDYDNUSA-N	1	0	374.460	1.487	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)n(C)c2C)C[C@H]1C(F)(F)F	ZINC001112203854	830886303	/nfs/dbraw/zinc/88/63/03/830886303.db2.gz	NEEBHBFRRTWJJH-HZPDHXFCSA-N	1	0	371.403	1.884	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)CCCC2=O	ZINC000453706500	831031908	/nfs/dbraw/zinc/03/19/08/831031908.db2.gz	JXYRRRJFSXWPFV-UHFFFAOYSA-N	1	0	370.453	1.838	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)nc1	ZINC000986130166	831037213	/nfs/dbraw/zinc/03/72/13/831037213.db2.gz	GUQONAFWIDFMPJ-MSOLQXFVSA-N	1	0	366.465	1.079	20	30		FDEDRO
C=C(C)CCNC(=O)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1	ZINC000453868980	831148350	/nfs/dbraw/zinc/14/83/50/831148350.db2.gz	BMZDUWYZZLXAGT-UHFFFAOYSA-N	1	0	360.458	1.906	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)CC(C)C)C[C@H]3C2)CC1	ZINC000986245375	831355654	/nfs/dbraw/zinc/35/56/54/831355654.db2.gz	JBBIBZHJRIFZJC-MOPGFXCFSA-N	1	0	359.514	1.685	20	30		FDEDRO
CC[C@H](C(=O)N1C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CC[C@@H]2C1)[NH+](C)C	ZINC000986321020	831484021	/nfs/dbraw/zinc/48/40/21/831484021.db2.gz	LUFYCAPQAYFAEL-HLLBOEOZSA-N	1	0	357.458	1.147	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H]3CN(C(=O)C#CC4CC4)CC[C@@H]3C2)C1	ZINC000986539680	831861673	/nfs/dbraw/zinc/86/16/73/831861673.db2.gz	ZLJDFPYAIPPKRJ-AQNXPRMDSA-N	1	0	371.525	1.829	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)CC[N@@H+](C)CC)C1	ZINC001059729674	831960988	/nfs/dbraw/zinc/96/09/88/831960988.db2.gz	ZHODMVTUPFAEGJ-KURKYZTESA-N	1	0	365.518	1.664	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)CC[C@@H]2C1	ZINC000986594902	832000438	/nfs/dbraw/zinc/00/04/38/832000438.db2.gz	XCCDMHUDTUCQIG-FMKPAKJESA-N	1	0	358.442	1.421	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@@H]2C1	ZINC000986595848	832008437	/nfs/dbraw/zinc/00/84/37/832008437.db2.gz	BHPIEUBVODXYKJ-LZQZEXGQSA-N	1	0	368.481	1.828	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C[C@@H](O)Cc1ccccc1	ZINC001088511455	832323353	/nfs/dbraw/zinc/32/33/53/832323353.db2.gz	OSNBVZRFDWUFFS-JLSDUUJJSA-N	1	0	352.438	1.683	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@@H+](C)[C@H]2CCN(CC)C2=O)CC1	ZINC001029998311	832348064	/nfs/dbraw/zinc/34/80/64/832348064.db2.gz	PZPIAEIIFMEPDE-SQNIBIBYSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)Cc2cnnn2C)CC1	ZINC001030002048	832364551	/nfs/dbraw/zinc/36/45/51/832364551.db2.gz	AVDIUSHCSZZTNV-ROUUACIJSA-N	1	0	361.490	1.467	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@](C[NH2+]CCCO)(c2ccccc2)C1	ZINC001105439626	832379010	/nfs/dbraw/zinc/37/90/10/832379010.db2.gz	DAYZHQZSLXAXLY-BNDYYXHWSA-N	1	0	358.482	1.766	20	30		FDEDRO
C=C[C@@H]1C[C@@]1(NC(=O)C1CC[NH+](Cc2ccncc2)CC1)C(=O)OCC	ZINC001142348126	832391540	/nfs/dbraw/zinc/39/15/40/832391540.db2.gz	OSUZWIHZRLRUOG-XLIONFOSSA-N	1	0	357.454	1.918	20	30		FDEDRO
Cn1ncc(C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)c1C#N	ZINC000475789564	832397785	/nfs/dbraw/zinc/39/77/85/832397785.db2.gz	DORQVVFFSZODQZ-UHFFFAOYSA-N	1	0	359.474	1.835	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000987051022	832500850	/nfs/dbraw/zinc/50/08/50/832500850.db2.gz	SFJAMWZCWNUQQF-HYVNUMGLSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21	ZINC001075885132	832516955	/nfs/dbraw/zinc/51/69/55/832516955.db2.gz	GVPIMGZRHQAQPP-YQVWRLOYSA-N	1	0	369.469	1.078	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3ccccc3F)[C@H]2C)CC1	ZINC000987239996	832696165	/nfs/dbraw/zinc/69/61/65/832696165.db2.gz	GXXXTWSTCYDJGW-BEFAXECRSA-N	1	0	371.456	1.890	20	30		FDEDRO
Cn1ncc(-c2nc(-c3cc(N4CC[NH+](C)CC4)ccn3)no2)c1C#N	ZINC000350102363	833456420	/nfs/dbraw/zinc/45/64/20/833456420.db2.gz	BSKQBLALHDONEH-UHFFFAOYSA-N	1	0	350.386	1.156	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000987625344	833502332	/nfs/dbraw/zinc/50/23/32/833502332.db2.gz	MFBKYNDHMMBRCK-FQLMCAECSA-N	1	0	357.458	1.336	20	30		FDEDRO
C=CCOCCCNC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000666517476	833864800	/nfs/dbraw/zinc/86/48/00/833864800.db2.gz	AUHPIRBEPUWTQD-FQEVSTJZSA-N	1	0	361.486	1.858	20	30		FDEDRO
CCn1nncc1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2F)[C@@H]1C	ZINC001088556388	834225173	/nfs/dbraw/zinc/22/51/73/834225173.db2.gz	VHSJJMFFTYBSFU-WBMJQRKESA-N	1	0	356.405	1.702	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C	ZINC000988305299	834330235	/nfs/dbraw/zinc/33/02/35/834330235.db2.gz	RXSRGMSXVLPQBS-NCOADZHNSA-N	1	0	361.486	1.169	20	30		FDEDRO
CCNC(=O)C(C)(C)CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000305218067	834570017	/nfs/dbraw/zinc/57/00/17/834570017.db2.gz	SCAXRPGFXLXUGT-ZDUSSCGKSA-N	1	0	367.494	1.029	20	30		FDEDRO
CCOC(=O)COc1cc(Cl)c(N[C@H]2C[NH2+]CC[C@H]2F)nc1C#N	ZINC001168227451	834703298	/nfs/dbraw/zinc/70/32/98/834703298.db2.gz	PVYSRPWSXSBLJP-PWSUYJOCSA-N	1	0	356.785	1.660	20	30		FDEDRO
[NH2+]=C(NC[C@H](N1CCOCC1)C(F)(F)F)N[C@H]1CCOc2ccccc21	ZINC000262668521	837823037	/nfs/dbraw/zinc/82/30/37/837823037.db2.gz	PYTRJHPUFREQHM-ZFWWWQNUSA-N	1	0	372.391	1.678	20	30		FDEDRO
CN1CC[NH+]=C1NC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(-c2ccc(F)cc2)c1	ZINC000262672449	837825416	/nfs/dbraw/zinc/82/54/16/837825416.db2.gz	RSIBVSBBNBULHW-SCLBCKFNSA-N	1	0	370.432	1.422	20	30		FDEDRO
Cn1cc(CN2CCCN(Cc3c(C#N)cccc3[N+](=O)[O-])CC2)cn1	ZINC000459335904	834999196	/nfs/dbraw/zinc/99/91/96/834999196.db2.gz	OYDVYLOKGOQCFQ-UHFFFAOYSA-N	1	0	354.414	1.908	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(Cc2cncc(OC)n2)[C@@H]1C	ZINC001088576590	835153189	/nfs/dbraw/zinc/15/31/89/835153189.db2.gz	YGWDRGLAORIXGB-SIXLDLHFSA-N	1	0	360.458	1.545	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3ccoc3CC)[C@@H]2C)CC1	ZINC000988506007	835656802	/nfs/dbraw/zinc/65/68/02/835656802.db2.gz	HZHZHGWABUPSBQ-QAPCUYQASA-N	1	0	371.481	1.906	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3ncccc3C)[C@@H]2C)CC1	ZINC000988505999	835657072	/nfs/dbraw/zinc/65/70/72/835657072.db2.gz	HNYKWRCBXSJCLN-AEFFLSMTSA-N	1	0	368.481	1.454	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)C[C@@H]3C[C@H]3C3CC3)[C@@H]2C)CC1	ZINC000988507351	835662274	/nfs/dbraw/zinc/66/22/74/835662274.db2.gz	RWMWRENWIXDVHU-TTYHFUOFSA-N	1	0	371.525	1.873	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cncn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105669216	844157725	/nfs/dbraw/zinc/15/77/25/844157725.db2.gz	PYJMMVSMXBEILQ-FPAYPSAMSA-N	1	0	361.490	1.210	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C[C@@H]3CCNC(=O)CC3)[C@@H]2C)cc1	ZINC001088787039	844171952	/nfs/dbraw/zinc/17/19/52/844171952.db2.gz	NNXRKRXBVAYZAZ-AYBZRNKSSA-N	1	0	353.466	1.777	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(C(=O)NC)CCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105669332	844208613	/nfs/dbraw/zinc/20/86/13/844208613.db2.gz	QVWANASTGSSYEQ-YKTARERQSA-N	1	0	363.502	1.055	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2occc2C)[C@@H]1C	ZINC000988737522	836931099	/nfs/dbraw/zinc/93/10/99/836931099.db2.gz	AJGFUHNSHWKWEC-IKGGRYGDSA-N	1	0	357.454	1.334	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](OC)C2CCC2)C[C@H]1OC	ZINC001212092618	837105851	/nfs/dbraw/zinc/10/58/51/837105851.db2.gz	JOFVIRLJFBGPAN-FGTMMUONSA-N	1	0	354.491	1.600	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000938040382	837194706	/nfs/dbraw/zinc/19/47/06/837194706.db2.gz	MJFQVEBMJVQGFR-AYOQOUSVSA-N	1	0	353.466	1.268	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1	ZINC000989071539	838277422	/nfs/dbraw/zinc/27/74/22/838277422.db2.gz	XHPRWQKLPKVKCI-NXOAAHMSSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1	ZINC000271844311	838420531	/nfs/dbraw/zinc/42/05/31/838420531.db2.gz	VEOVIBXYTBQXHS-CHWSQXEVSA-N	1	0	360.414	1.694	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1	ZINC000272007671	838428285	/nfs/dbraw/zinc/42/82/85/838428285.db2.gz	JHKMLXYTLUQWDZ-YVEFUNNKSA-N	1	0	359.426	1.899	20	30		FDEDRO
C=CC[N@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)CCc1ccco1	ZINC000272257887	838431038	/nfs/dbraw/zinc/43/10/38/838431038.db2.gz	JNTZNLGFXQVFPW-UHFFFAOYSA-N	1	0	371.441	1.148	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21	ZINC000272303847	838433034	/nfs/dbraw/zinc/43/30/34/838433034.db2.gz	HKHIDUUTVBBWIS-CZUORRHYSA-N	1	0	359.401	1.329	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cnc3n[nH]nc3c2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088626022	838564242	/nfs/dbraw/zinc/56/42/42/838564242.db2.gz	QGAPZNOVBQABHA-WBMJQRKESA-N	1	0	361.409	1.617	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CCCNC2=O)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088638645	838739990	/nfs/dbraw/zinc/73/99/90/838739990.db2.gz	NSBQCMYCWJTXIE-JLSDUUJJSA-N	1	0	370.453	1.194	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000459818724	838961125	/nfs/dbraw/zinc/96/11/25/838961125.db2.gz	DLYYIGCUOJUZNV-CALCHBBNSA-N	1	0	365.518	1.759	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCNC(=O)C2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088657805	839426643	/nfs/dbraw/zinc/42/66/43/839426643.db2.gz	UFFCFUMKMKFPFR-LIVBEALHSA-N	1	0	354.454	1.554	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@]3(C)C=CCC3)[C@H]2C)CC1	ZINC000989331217	839511526	/nfs/dbraw/zinc/51/15/26/839511526.db2.gz	ANVDPGQIAZGQMD-PLMTUMEDSA-N	1	0	357.498	1.794	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(N3CCOC3=O)c2)c1C#N	ZINC000760310811	839770121	/nfs/dbraw/zinc/77/01/21/839770121.db2.gz	WQQIGENLZVNTDX-UHFFFAOYSA-N	1	0	368.397	1.642	20	30		FDEDRO
C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCC1	ZINC001105562089	839971562	/nfs/dbraw/zinc/97/15/62/839971562.db2.gz	WBBGSUGHKIVEMB-GVDBMIGSSA-N	1	0	363.502	1.736	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3CCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105585636	839996694	/nfs/dbraw/zinc/99/66/94/839996694.db2.gz	TXJHOUUDXATJOU-FTEYMNFISA-N	1	0	350.503	1.955	20	30		FDEDRO
COCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC#Cc3ccccc3)C2)[C@@H]1C(C)C	ZINC001105579041	839997628	/nfs/dbraw/zinc/99/76/28/839997628.db2.gz	KGOKMCNDAORQFJ-KRXUUXHPSA-N	1	0	370.493	1.651	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105587252	840024374	/nfs/dbraw/zinc/02/43/74/840024374.db2.gz	DVBXGTKHRCBREX-JYBIWHBTSA-N	1	0	350.503	1.648	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccoc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105593466	840260237	/nfs/dbraw/zinc/26/02/37/840260237.db2.gz	ADKINKYOEWTIIR-SOAMZJECSA-N	1	0	360.454	1.509	20	30		FDEDRO
C=CCCC[C@@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)c1ccccc1	ZINC000897716993	840305657	/nfs/dbraw/zinc/30/56/57/840305657.db2.gz	OAKFXNBVXYVLLW-RTBURBONSA-N	1	0	372.513	1.562	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C2CCC(C(N)=O)CC2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088689729	840426168	/nfs/dbraw/zinc/42/61/68/840426168.db2.gz	DYAKQEGGVOSEIV-UJPJLTBQSA-N	1	0	368.481	1.929	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105598122	840767234	/nfs/dbraw/zinc/76/72/34/840767234.db2.gz	LDNVONUJKXCTJV-WERVVEIQSA-N	1	0	355.482	1.993	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCn3cccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105598767	840779148	/nfs/dbraw/zinc/77/91/48/840779148.db2.gz	WPIXRUCADIUMGF-LFGUQSLTSA-N	1	0	360.502	1.815	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1	ZINC000898124369	840796072	/nfs/dbraw/zinc/79/60/72/840796072.db2.gz	LTDWXFCTLNOFID-OAHLLOKOSA-N	1	0	357.454	1.679	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)CCCC[NH+]1CCCCC1	ZINC000898097886	840808301	/nfs/dbraw/zinc/80/83/01/840808301.db2.gz	RRILUKRMGGMYOQ-IRXDYDNUSA-N	1	0	351.491	1.418	20	30		FDEDRO
C=CCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)N(C)CC)C2)[C@@H]1C(C)C	ZINC001105604092	841181602	/nfs/dbraw/zinc/18/16/02/841181602.db2.gz	RDRMXDSCMBGLPB-YKCBXCCJSA-N	1	0	365.518	1.397	20	30		FDEDRO
C=CCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccnn3C)C2)[C@H]1C(C)C	ZINC001105606911	841217061	/nfs/dbraw/zinc/21/70/61/841217061.db2.gz	IMMKQQIPOFBSJA-HNBVOPMISA-N	1	0	360.502	1.852	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@H](C[N@@H+](C)CC)C3)cc2C1=O	ZINC000479950916	844622981	/nfs/dbraw/zinc/62/29/81/844622981.db2.gz	BFCFDZDVMGPIFV-AWEZNQCLSA-N	1	0	355.438	1.882	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3CC=CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105609897	841443655	/nfs/dbraw/zinc/44/36/55/841443655.db2.gz	CYARLMQHZRJOKG-XCJLJZCSSA-N	1	0	360.498	1.569	20	30		FDEDRO
C=CCn1c([C@H]2COCCO2)nnc1N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000669056878	861211787	/nfs/dbraw/zinc/21/17/87/861211787.db2.gz	WMXKXGNRCYAQNY-JKSUJKDBSA-N	1	0	365.478	1.099	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc(=O)[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105610576	841652869	/nfs/dbraw/zinc/65/28/69/841652869.db2.gz	LFSJWDIPKZYAAF-HBXLWWENSA-N	1	0	357.454	1.390	20	30		FDEDRO
C=CCn1c(Cc2ccccn2)nnc1N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000669058979	861240228	/nfs/dbraw/zinc/24/02/28/861240228.db2.gz	IFWATARDZGULRK-GOSISDBHSA-N	1	0	370.501	1.997	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCC=C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105612033	841939086	/nfs/dbraw/zinc/93/90/86/841939086.db2.gz	WWVUQMKGCMAGFI-HNBVOPMISA-N	1	0	366.502	1.358	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCF)C2)[C@H]1C(C)C	ZINC001105615351	842231715	/nfs/dbraw/zinc/23/17/15/842231715.db2.gz	SWDDMJURVUZFDS-RWQQGDIJSA-N	1	0	356.482	1.905	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(NC(=O)Cc2cccc(OCC#N)c2)CC1	ZINC000760528962	842232030	/nfs/dbraw/zinc/23/20/30/842232030.db2.gz	MAGUZAVXHJVRIK-UHFFFAOYSA-N	1	0	372.469	1.190	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncc(F)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619526	842237903	/nfs/dbraw/zinc/23/79/03/842237903.db2.gz	MNGOSRNQWPXHPL-MLYOOKFZSA-N	1	0	359.445	1.824	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3coc(CC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105619997	842240847	/nfs/dbraw/zinc/24/08/47/842240847.db2.gz	VABKZTOYJNODPP-BIJSTVTOSA-N	1	0	359.470	1.840	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@@H]1C(C)C	ZINC001105619959	842241243	/nfs/dbraw/zinc/24/12/43/842241243.db2.gz	UKHLNCAGKPSUME-JYBIWHBTSA-N	1	0	350.503	1.529	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3coc(CC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105620149	842241846	/nfs/dbraw/zinc/24/18/46/842241846.db2.gz	XBMQHYLSPGHUAF-BIJSTVTOSA-N	1	0	359.470	1.840	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(=O)NCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105620243	842242516	/nfs/dbraw/zinc/24/25/16/842242516.db2.gz	YNAIXPLHENYGNN-YAJHFMINSA-N	1	0	365.518	1.445	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc[nH]c(=O)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105620259	842242708	/nfs/dbraw/zinc/24/27/08/842242708.db2.gz	YWYXXOVRRFXWAH-QQTQMKHKSA-N	1	0	359.470	1.943	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3ncc[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105622463	842246190	/nfs/dbraw/zinc/24/61/90/842246190.db2.gz	BALFXJWCRMKEAY-XNFNUYLZSA-N	1	0	358.486	1.332	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nccn3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105622392	842246291	/nfs/dbraw/zinc/24/62/91/842246291.db2.gz	ADBCKVQFUNYAPD-WOCWXWTJSA-N	1	0	358.486	1.506	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nccc(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105622849	842249108	/nfs/dbraw/zinc/24/91/08/842249108.db2.gz	JFDGFPVEQZPIPH-WWNBULGVSA-N	1	0	356.470	1.388	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccncc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105626512	842257252	/nfs/dbraw/zinc/25/72/52/842257252.db2.gz	CGQHOAHUBNVRTQ-XCJLJZCSSA-N	1	0	355.482	1.993	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC#CCOC)C2)[C@@H]1C(C)C	ZINC001105628404	842261425	/nfs/dbraw/zinc/26/14/25/842261425.db2.gz	VMVYPXDVRRLUEN-RMVXJAJNSA-N	1	0	360.498	1.406	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncc[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105628964	842262236	/nfs/dbraw/zinc/26/22/36/842262236.db2.gz	ZOMPIJZRRXKSTI-OAFZBRQQSA-N	1	0	362.474	1.192	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(C)C(=O)C(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105631347	842263725	/nfs/dbraw/zinc/26/37/25/842263725.db2.gz	ACOLLHCLTPSASB-QQTQMKHKSA-N	1	0	365.518	1.253	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@H]1C(C)C	ZINC001105632661	842280754	/nfs/dbraw/zinc/28/07/54/842280754.db2.gz	MVCZRXGACUJYIJ-CWLMSFPYSA-N	1	0	365.518	1.301	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cncc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105643416	842335883	/nfs/dbraw/zinc/33/58/83/842335883.db2.gz	XYKHUJZTFGUFNJ-IZBJGVDFSA-N	1	0	358.486	1.181	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(C(N)=O)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105651364	842445567	/nfs/dbraw/zinc/44/55/67/842445567.db2.gz	GFOFUSRMGORBNV-OAFZBRQQSA-N	1	0	363.502	1.184	20	30		FDEDRO
N#CCOc1cccc(CC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1	ZINC000760568172	842453808	/nfs/dbraw/zinc/45/38/08/842453808.db2.gz	SERDWFWORMMRGA-IBGZPJMESA-N	1	0	357.454	1.891	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cccnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105654787	842476128	/nfs/dbraw/zinc/47/61/28/842476128.db2.gz	BQUSJBOJVIRJKU-CZAYHTPWSA-N	1	0	369.509	1.922	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cccnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105655909	842480404	/nfs/dbraw/zinc/48/04/04/842480404.db2.gz	LUZYSCPBLNRWQV-WKDRNLAYSA-N	1	0	369.509	1.922	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@@H]1C(C)C	ZINC001105655237	842483084	/nfs/dbraw/zinc/48/30/84/842483084.db2.gz	GKPLEXICLSFIKE-UOSKARGWSA-N	1	0	365.518	1.301	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)C[N@H+](C)CC(C)(C)C)C[C@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001105657114	842491669	/nfs/dbraw/zinc/49/16/69/842491669.db2.gz	WQRISNMMYZIZAP-HBXLWWENSA-N	1	0	364.534	1.454	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(F)(F)C(F)F)[C@H]2C(C)C)C[C@H]1O	ZINC001105656413	842493531	/nfs/dbraw/zinc/49/35/31/842493531.db2.gz	PTJOKKIFYPETMY-HLSYRSCKSA-N	1	0	364.383	1.876	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1	ZINC000991423142	861318721	/nfs/dbraw/zinc/31/87/21/861318721.db2.gz	WELSSYBECGJRJN-SZMVWBNQSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C3)[C@@H]2C(C)C)C1	ZINC001105660626	842567099	/nfs/dbraw/zinc/56/70/99/842567099.db2.gz	XHOFOHCMMIYNPP-UOSKARGWSA-N	1	0	363.502	1.055	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)c(C)c2)C[C@@H]1O	ZINC001083470792	842649713	/nfs/dbraw/zinc/64/97/13/842649713.db2.gz	NPNLDOXZKHTXRO-ZRNYENFQSA-N	1	0	358.482	1.946	20	30		FDEDRO
C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[NH+](CC)CC1	ZINC000460583418	842786017	/nfs/dbraw/zinc/78/60/17/842786017.db2.gz	KPWRJBXMXZCGSC-UHFFFAOYSA-N	1	0	374.514	1.988	20	30		FDEDRO
Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]2C#N)c(OCC[NH+](C)C)c1	ZINC000461764655	843157144	/nfs/dbraw/zinc/15/71/44/843157144.db2.gz	ATIPLGFWYQSUCD-GJZGRUSLSA-N	1	0	358.442	1.682	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccnc(OC)c4)[C@@H]3C2)C1=O	ZINC001075979265	843187241	/nfs/dbraw/zinc/18/72/41/843187241.db2.gz	CPXLHIKKMPGUPB-GVDBMIGSSA-N	1	0	370.453	1.023	20	30		FDEDRO
N#C[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000461959260	843252230	/nfs/dbraw/zinc/25/22/30/843252230.db2.gz	NNACYEFZDPVNAH-CADBVGFASA-N	1	0	356.470	1.861	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CC#CC)C3)[C@@H]2C(C)C)cn1	ZINC001105667703	843683358	/nfs/dbraw/zinc/68/33/58/843683358.db2.gz	DNVKXVLXVMAQFG-XWSHUIEDSA-N	1	0	365.477	1.666	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cncn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105668566	843834715	/nfs/dbraw/zinc/83/47/15/843834715.db2.gz	LCGMUXFLQGTEMH-PSBWJHGTSA-N	1	0	361.490	1.210	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1	ZINC000667606392	844716568	/nfs/dbraw/zinc/71/65/68/844716568.db2.gz	BXBVJMAKZWCPPN-SFHVURJKSA-N	1	0	351.491	1.418	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC(N2C[C@H]([NH2+][C@H]3CCC[C@@H](C#N)C3)CC2=O)C1	ZINC000898528055	844818741	/nfs/dbraw/zinc/81/87/41/844818741.db2.gz	FNYAKCKNGFWAQS-QLFBSQMISA-N	1	0	362.474	1.879	20	30		FDEDRO
Cc1nc[nH]c(=O)c1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C	ZINC001088808138	844874466	/nfs/dbraw/zinc/87/44/66/844874466.db2.gz	RZRJNVBRABXNKU-CJNGLKHVSA-N	1	0	351.410	1.755	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)cc1C#N	ZINC000842179246	845386436	/nfs/dbraw/zinc/38/64/36/845386436.db2.gz	CTMAACMUXOPHPW-MRXNPFEDSA-N	1	0	358.442	1.207	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@H+](CC(=O)N1CCC1)CC2	ZINC000990736960	845391445	/nfs/dbraw/zinc/39/14/45/845391445.db2.gz	FSDAFLNHMIZPRG-YLAKUSLOSA-N	1	0	361.486	1.313	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccn(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105674670	845536095	/nfs/dbraw/zinc/53/60/95/845536095.db2.gz	IFWLUQACOGSYNE-MLYOOKFZSA-N	1	0	360.502	1.966	20	30		FDEDRO
CCCCCCCCNC(=O)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1	ZINC000842221162	845738685	/nfs/dbraw/zinc/73/86/85/845738685.db2.gz	ODKRSKURJHTVSN-MRXNPFEDSA-N	1	0	364.494	1.377	20	30		FDEDRO
N#Cc1ccc(C2(NC(=O)C3C[NH+]([C@@H]4CCOC4)C3)CCOCC2)cc1	ZINC000913162262	861606426	/nfs/dbraw/zinc/60/64/26/861606426.db2.gz	HUCGJSRBGCAAHD-GOSISDBHSA-N	1	0	355.438	1.401	20	30		FDEDRO
N#Cc1ccc(Cn2cc(NC(=O)C3C[NH+]([C@H]4CCOC4)C3)cn2)cc1	ZINC000899172040	845903357	/nfs/dbraw/zinc/90/33/57/845903357.db2.gz	LEVVJJIUPUBNEZ-SFHVURJKSA-N	1	0	351.410	1.462	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)cn2)CCN1CC#Cc1cccc(Cl)c1	ZINC001088823466	846365069	/nfs/dbraw/zinc/36/50/69/846365069.db2.gz	NIOMLWDXWSWHDU-CJNGLKHVSA-N	1	0	370.840	1.668	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4ccc(C(N)=O)o4)[C@@H]3C2)cc1	ZINC001076018236	847028031	/nfs/dbraw/zinc/02/80/31/847028031.db2.gz	HXRUQRIBBSPRRK-JKSUJKDBSA-N	1	0	364.405	1.597	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](C[C@@H]4CCc5ncnn54)C[C@H]32)cc1	ZINC001076119126	847313334	/nfs/dbraw/zinc/31/33/34/847313334.db2.gz	AEBSIBBFRRDHPT-GBESFXJTSA-N	1	0	361.449	1.593	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CCN4CCCC4=O)C[C@H]32)cc1	ZINC001076119175	847313666	/nfs/dbraw/zinc/31/36/66/847313666.db2.gz	CMUJYYYFCFZFIE-RBUKOAKNSA-N	1	0	351.450	1.437	20	30		FDEDRO
C=CCOC[C@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)OC	ZINC000482445301	847988606	/nfs/dbraw/zinc/98/86/06/847988606.db2.gz	IXYYQVUDVXUGDJ-IBGZPJMESA-N	1	0	357.454	1.856	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(CC#Cc4ccccc4)C[C@H]32)C1	ZINC001076457428	848179714	/nfs/dbraw/zinc/17/97/14/848179714.db2.gz	CTOJLGACIPOQQN-PCCBWWKXSA-N	1	0	351.494	1.913	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(CO)cc4)C[C@H]32)nc1	ZINC001076476180	848241064	/nfs/dbraw/zinc/24/10/64/848241064.db2.gz	ZWLKIECGCBTUNW-PZJWPPBQSA-N	1	0	361.445	1.902	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@@H+](Cc3cn(C)nc3C)C[C@H]21	ZINC001076504627	848303198	/nfs/dbraw/zinc/30/31/98/848303198.db2.gz	JBWODKJURLJYIP-PZJWPPBQSA-N	1	0	362.477	1.985	20	30		FDEDRO
C[NH+]=C(NCC(=O)NC1CCCCC1)N1CC[C@H](C)[C@@H](n2ccnc2)C1	ZINC000160117921	848319396	/nfs/dbraw/zinc/31/93/96/848319396.db2.gz	CCBATBZTQHCPLP-RDJZCZTQSA-N	1	0	360.506	1.790	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4c[nH]c(C(N)=O)c4)[C@@H]3C2)cc1	ZINC001076577535	848475667	/nfs/dbraw/zinc/47/56/67/848475667.db2.gz	LGTBXTMBBRRUPB-MAUKXSAKSA-N	1	0	363.421	1.332	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000249165393	848803369	/nfs/dbraw/zinc/80/33/69/848803369.db2.gz	KANIXUOLQZVKCJ-DZGCQCFKSA-N	1	0	358.442	1.837	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)C[N@H+](C)C(C)C	ZINC001076706009	848811502	/nfs/dbraw/zinc/81/15/02/848811502.db2.gz	MAVRUSKYADOWRC-BQFCYCMXSA-N	1	0	353.507	1.709	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)C1CC[NH+](C)CC1	ZINC001076705994	848811545	/nfs/dbraw/zinc/81/15/45/848811545.db2.gz	LNHZHQCFKFITGP-SZMVWBNQSA-N	1	0	365.518	1.711	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCC4)C[C@H]2O)c1	ZINC001076855830	849214394	/nfs/dbraw/zinc/21/43/94/849214394.db2.gz	PCGVPINNACINOI-RTBURBONSA-N	1	0	350.422	1.350	20	30		FDEDRO
COc1cccc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)c1	ZINC001076855968	849215371	/nfs/dbraw/zinc/21/53/71/849215371.db2.gz	UXPXGVXEIOJLHJ-RTBURBONSA-N	1	0	368.437	1.303	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCc4ccccc43)C[C@H]2O)[nH]1	ZINC001076898315	849282738	/nfs/dbraw/zinc/28/27/38/849282738.db2.gz	CSNGRCWJISUMNL-CWFSZBLJSA-N	1	0	364.449	1.781	20	30		FDEDRO
Cc1ccccc1CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1	ZINC001076890060	849286990	/nfs/dbraw/zinc/28/69/90/849286990.db2.gz	HQJHRBIEOKSGKC-RTBURBONSA-N	1	0	352.438	1.603	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1	ZINC000483129947	849319176	/nfs/dbraw/zinc/31/91/76/849319176.db2.gz	MUCIHRKEYMJRNL-WMZOPIPTSA-N	1	0	359.470	1.599	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C	ZINC001076974613	849459540	/nfs/dbraw/zinc/45/95/40/849459540.db2.gz	ZHADZDBBYPXHGY-YVSFHVDLSA-N	1	0	353.507	1.565	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C(C)(C)[N@@H+](C)CC	ZINC001077108400	849774555	/nfs/dbraw/zinc/77/45/55/849774555.db2.gz	CKCCQONQKCGOJU-XHSDSOJGSA-N	1	0	353.507	1.709	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)C1	ZINC001077335471	850615462	/nfs/dbraw/zinc/61/54/62/850615462.db2.gz	RZIHFOAEQHMEIO-BFYDXBDKSA-N	1	0	350.846	1.771	20	30		FDEDRO
C=CCn1c(Cc2noc(C3=CCC[NH2+]CC3)n2)nnc1N1CCOCC1	ZINC000904666730	851339748	/nfs/dbraw/zinc/33/97/48/851339748.db2.gz	SFPDNLUZEQAEGR-UHFFFAOYSA-N	1	0	371.445	1.041	20	30		FDEDRO
CCN(CC)c1ccc(/C=[NH+]/C[C@]2(OC)CCS(=O)(=O)C2)c(O)c1	ZINC000905002985	851566161	/nfs/dbraw/zinc/56/61/61/851566161.db2.gz	NTGWKLICLWKPNK-AUUUKSDWSA-N	1	0	354.472	1.861	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H]([NH2+]C[C@H](O)CCC3(O)CCC3)C2=O)cc1	ZINC000905227466	851736328	/nfs/dbraw/zinc/73/63/28/851736328.db2.gz	AUIATZHQQRLBIJ-MSOLQXFVSA-N	1	0	357.454	1.305	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1	ZINC000905244794	851769436	/nfs/dbraw/zinc/76/94/36/851769436.db2.gz	SRJHNJRUUJLLMO-PMPSAXMXSA-N	1	0	374.547	1.559	20	30		FDEDRO
COc1cc(Br)c(C(=O)NCC#CC[NH+](C)C)cc1OC	ZINC000913523164	862288101	/nfs/dbraw/zinc/28/81/01/862288101.db2.gz	NYNCRRAWGWGLPA-UHFFFAOYSA-N	1	0	355.232	1.761	20	30		FDEDRO
C=CC[C@@H](CO)[NH2+]C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2	ZINC000905356890	851855113	/nfs/dbraw/zinc/85/51/13/851855113.db2.gz	ITCBHRHLXIOWSH-JKSUJKDBSA-N	1	0	372.387	1.694	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000913515482	862294604	/nfs/dbraw/zinc/29/46/04/862294604.db2.gz	YRFGBUMYWNEOHG-UHFFFAOYSA-N	1	0	360.502	1.326	20	30		FDEDRO
CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)NCC#CC[NH+](C)C)c1	ZINC000913516559	862298988	/nfs/dbraw/zinc/29/89/88/862298988.db2.gz	VTUVQDXNIBUZLW-UHFFFAOYSA-N	1	0	369.462	1.149	20	30		FDEDRO
Brc1nc2n(c1C=NNC1=[NH+][C@H]3CCCC[C@@H]3N1)CCOC2	ZINC000905456364	851959608	/nfs/dbraw/zinc/95/96/08/851959608.db2.gz	HMANYJZIRNWTOR-UWVGGRQHSA-N	1	0	367.251	1.370	20	30		FDEDRO
CC[C@@H](CN1CCOCC1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000905553136	852056100	/nfs/dbraw/zinc/05/61/00/852056100.db2.gz	QXBPVMVSJCCZRN-INIZCTEOSA-N	1	0	351.472	1.032	20	30		FDEDRO
Cn1ncc2c1ncnc2N1CCN(C(=O)c2ccsc2C#N)CC1	ZINC000905718400	852209079	/nfs/dbraw/zinc/20/90/79/852209079.db2.gz	ALOJMSXEJYZUPX-UHFFFAOYSA-N	1	0	353.411	1.259	20	30		FDEDRO
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC[N@H+](C)C1CC1	ZINC000485450454	852254587	/nfs/dbraw/zinc/25/45/87/852254587.db2.gz	IAUWNIFQILKSKU-UHFFFAOYSA-N	1	0	356.470	1.753	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCc2nccnc2C1)C(C)C	ZINC000668532093	852722036	/nfs/dbraw/zinc/72/20/36/852722036.db2.gz	TWXNTOHOPBNJSO-SFHVURJKSA-N	1	0	371.485	1.176	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCCOc2ccccc2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC001212131772	852731948	/nfs/dbraw/zinc/73/19/48/852731948.db2.gz	UARPJDKJSCFCJZ-RTBURBONSA-N	1	0	368.437	1.784	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)nc1	ZINC000906796695	853354006	/nfs/dbraw/zinc/35/40/06/853354006.db2.gz	XBQWTDOAOOWLEW-UHFFFAOYSA-N	1	0	356.451	1.896	20	30		FDEDRO
C=CCn1c([C@H]2CCOC2)nnc1N1CCN(c2cc[nH+]cc2OC)CC1	ZINC000508910988	862507445	/nfs/dbraw/zinc/50/74/45/862507445.db2.gz	GIVYYFPCVLLQHA-HNNXBMFYSA-N	1	0	370.457	1.698	20	30		FDEDRO
N#C[C@]1(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)CC2CCC1CC2	ZINC000907204367	853912364	/nfs/dbraw/zinc/91/23/64/853912364.db2.gz	XMGXQUBYHSZLPR-LBXVMSDZSA-N	1	0	361.486	1.392	20	30		FDEDRO
C[N@@H+]1CCC[C@](O)(CC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000907270298	853973780	/nfs/dbraw/zinc/97/37/80/853973780.db2.gz	NUKXYYPXDXVYIV-XLIONFOSSA-N	1	0	370.453	1.017	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2=O)cc1	ZINC000907723338	854568566	/nfs/dbraw/zinc/56/85/66/854568566.db2.gz	ZVPQIXFDGBABCW-CEXWTWQISA-N	1	0	366.465	1.792	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)Nc1cc(S(C)(=O)=O)ccc1OCCOC	ZINC000908179323	855126590	/nfs/dbraw/zinc/12/65/90/855126590.db2.gz	UTANREUWAVJOBX-UHFFFAOYSA-N	1	0	370.471	1.562	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@]3(C#N)CC4CCC3CC4)CC2)C1=O	ZINC000908185414	855153961	/nfs/dbraw/zinc/15/39/61/855153961.db2.gz	OTCCFZHCXNUOTK-VQIVBJKUSA-N	1	0	358.486	1.518	20	30		FDEDRO
CN(C)c1ccc([C@@H](CNS(=O)(=O)CC2(CC#N)CC2)[NH+](C)C)cc1	ZINC000908460650	855446673	/nfs/dbraw/zinc/44/66/73/855446673.db2.gz	WTUVZSVLYJUFII-QGZVFWFLSA-N	1	0	364.515	1.969	20	30		FDEDRO
C=CCn1c(-c2cn(C)nn2)nnc1N1CCC(CC)([NH+]2CCC2)CC1	ZINC000908696083	855686299	/nfs/dbraw/zinc/68/62/99/855686299.db2.gz	VUWKCOODYYUFSN-UHFFFAOYSA-N	1	0	356.478	1.714	20	30		FDEDRO
C=CCn1c(-c2ccc(=O)n(C)c2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1	ZINC000908742093	855739853	/nfs/dbraw/zinc/73/98/53/855739853.db2.gz	RLEAXAJRCKGINJ-INIZCTEOSA-N	1	0	370.501	1.998	20	30		FDEDRO
C=C(C)Cn1c(-c2ncnc3[nH]cnc32)nnc1N1CC[N@@H+](CC)[C@H](C)C1	ZINC000909312069	856427851	/nfs/dbraw/zinc/42/78/51/856427851.db2.gz	CYESGKSRARHLQG-CYBMUJFWSA-N	1	0	367.461	1.670	20	30		FDEDRO
CCO[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000910562745	857319687	/nfs/dbraw/zinc/31/96/87/857319687.db2.gz	GVFZCOXAHXGZGG-SFHVURJKSA-N	1	0	372.469	1.086	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)O[C@](C)(C(F)F)C2)CC1	ZINC000668835962	857525121	/nfs/dbraw/zinc/52/51/21/857525121.db2.gz	NHZWTSWKCSMYKB-UGSOOPFHSA-N	1	0	373.444	1.414	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)N(C(=O)[C@@H]1CCC[NH2+]C1)c1ccccc1OC	ZINC000910866296	857801419	/nfs/dbraw/zinc/80/14/19/857801419.db2.gz	QPXXBJIGGCMFCP-CQSZACIVSA-N	1	0	359.426	1.199	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)NCc1ccc(CN2CC[NH2+]CC2)cc1	ZINC000911079840	858088831	/nfs/dbraw/zinc/08/88/31/858088831.db2.gz	RCOGNXHECPHYTL-KRWDZBQOSA-N	1	0	372.513	1.569	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC(C(C)(C)C[NH3+])CC1)c1ccc(C#N)cc1	ZINC000911134427	858199528	/nfs/dbraw/zinc/19/95/28/858199528.db2.gz	OYPUNLCCCDNFJZ-AWEZNQCLSA-N	1	0	356.470	1.959	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1C[C@@H]2COC[C@]2(C)C1	ZINC000669334465	863002707	/nfs/dbraw/zinc/00/27/07/863002707.db2.gz	BINFAWXEVAZYEF-WWNBULGVSA-N	1	0	373.501	1.863	20	30		FDEDRO
CC(=O)NCC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccc(Cl)cc2)[C@H](C)C1	ZINC001105768673	863031100	/nfs/dbraw/zinc/03/11/00/863031100.db2.gz	WDSLLDROFRSWAB-RHSMWYFYSA-N	1	0	361.873	1.512	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)c1	ZINC000911367107	858558036	/nfs/dbraw/zinc/55/80/36/858558036.db2.gz	VWHVGJSFRRLVLO-QGZVFWFLSA-N	1	0	366.396	1.144	20	30		FDEDRO
C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCCCCN1CC[NH2+]CC1	ZINC000911435159	858616418	/nfs/dbraw/zinc/61/64/18/858616418.db2.gz	CZGVNVLSRWQCMI-ZWKOTPCHSA-N	1	0	364.534	1.429	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H](c2nnc3ccccn32)C(C)C)CC1	ZINC000916107458	881356163	/nfs/dbraw/zinc/35/61/63/881356163.db2.gz	ZZGXKNAGECKCTM-QGZVFWFLSA-N	1	0	354.458	1.823	20	30		FDEDRO
C=CCn1c(C)cc(C(=O)Cn2cc(CCN3CC[NH2+]CC3)nn2)c1C	ZINC000640799672	859026769	/nfs/dbraw/zinc/02/67/69/859026769.db2.gz	JGLHXFOMXDHHKY-UHFFFAOYSA-N	1	0	356.474	1.213	20	30		FDEDRO
C=CCCC[C@@H]([NH3+])C(=O)N(CC)CC(=O)Nc1ccc2c(c1)OCCO2	ZINC000912008212	859202218	/nfs/dbraw/zinc/20/22/18/859202218.db2.gz	SQANOGGTSZDLQP-OAHLLOKOSA-N	1	0	361.442	1.928	20	30		FDEDRO
CCCC[NH+]=C(NCCCn1nc2n(c1=O)CCCC2)NC(C)(C)C	ZINC000912496769	859808477	/nfs/dbraw/zinc/80/84/77/859808477.db2.gz	GGCCPPJKEOFFSN-UHFFFAOYSA-N	1	0	350.511	1.905	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@](C)(NC(C)=O)C2CC2)C[C@H]1C	ZINC001106868615	881485534	/nfs/dbraw/zinc/48/55/34/881485534.db2.gz	JVNBKEPQULYVSG-IDHHARJASA-N	1	0	351.491	1.178	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cn(C(C)C)nc2C)C[C@H]1C	ZINC001106869831	881515529	/nfs/dbraw/zinc/51/55/29/881515529.db2.gz	OEYNQUPVFHGZLA-GDBMZVCRSA-N	1	0	361.490	1.372	20	30		FDEDRO
C=CCn1c(-c2cc[nH]n2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C	ZINC000669030268	860281617	/nfs/dbraw/zinc/28/16/17/860281617.db2.gz	ZTSVDUODOWTYNG-CQSZACIVSA-N	1	0	357.462	1.544	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1C[C@]2(C)COC[C@]2(C)C1	ZINC000669032206	860840750	/nfs/dbraw/zinc/84/07/50/860840750.db2.gz	DGHHCOUXPKCJMA-GJJHYRHESA-N	1	0	373.501	1.863	20	30		FDEDRO
C#CC1(O)CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)CC1	ZINC000912971469	861165375	/nfs/dbraw/zinc/16/53/75/861165375.db2.gz	NAGNQWJNGYUODH-PZJWPPBQSA-N	1	0	368.477	1.512	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2ccc(CN3CCOCC3)cc2)CC1	ZINC000057137772	863084980	/nfs/dbraw/zinc/08/49/80/863084980.db2.gz	QXQBPFJHJZDYPF-UHFFFAOYSA-N	1	0	355.482	1.480	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1	ZINC000946738510	881630072	/nfs/dbraw/zinc/63/00/72/881630072.db2.gz	PCCVMHPFZYXZQJ-MSOLQXFVSA-N	1	0	363.502	1.417	20	30		FDEDRO
CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)[C@H](C)C1	ZINC001105793607	863218555	/nfs/dbraw/zinc/21/85/55/863218555.db2.gz	LKGHXTVGUXVVQM-IIYDPXPESA-N	1	0	360.433	1.406	20	30		FDEDRO
C=CCC[C@H](O)C[N@@H+](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000760817050	863289945	/nfs/dbraw/zinc/28/99/45/863289945.db2.gz	JTVFKQLBDBJROA-HNNXBMFYSA-N	1	0	355.479	1.325	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccn2C)C[C@H]1C	ZINC001105830247	863395127	/nfs/dbraw/zinc/39/51/27/863395127.db2.gz	UWCOXTTXHNKULA-IAGOWNOFSA-N	1	0	360.502	1.747	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(=O)n3[nH]cnc3n2)C[C@H]1C	ZINC001106872793	881660360	/nfs/dbraw/zinc/66/03/60/881660360.db2.gz	HZCWZBBSVZSEJL-HZSPNIEDSA-N	1	0	358.446	1.070	20	30		FDEDRO
CCC(C)(C)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C	ZINC001105849777	863484824	/nfs/dbraw/zinc/48/48/24/863484824.db2.gz	ASZHWAZJQRNNDU-QLFBSQMISA-N	1	0	368.547	1.621	20	30		FDEDRO
CO[C@@H](C)c1noc(C[NH2+]C[C@@H]2CN(C(=O)CSCC#N)C[C@H]2C)n1	ZINC001105847906	863492397	/nfs/dbraw/zinc/49/23/97/863492397.db2.gz	JUYHSGRARKPIQO-FRRDWIJNSA-N	1	0	367.475	1.218	20	30		FDEDRO
CC(=O)Nc1ccc2c(CN3CCN(CCC#N)CC3)cc(=O)oc2c1	ZINC000760945009	863518890	/nfs/dbraw/zinc/51/88/90/863518890.db2.gz	VEZSIPYOAYCXHO-UHFFFAOYSA-N	1	0	354.410	1.783	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1NC(=O)/C=C\c1ccc[nH]1	ZINC001212172402	863666780	/nfs/dbraw/zinc/66/67/80/863666780.db2.gz	GJIBMXGRECYFND-FAPWYTRCSA-N	1	0	350.422	1.915	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)N2C(=O)CCC2=O)C[C@H]1C(F)(F)F	ZINC001112110618	863740826	/nfs/dbraw/zinc/74/08/26/863740826.db2.gz	YFKQICKEPRCODC-QJPTWQEYSA-N	1	0	361.364	1.079	20	30		FDEDRO
Cc1cc(C#N)nc(NC[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1	ZINC001060317612	863813053	/nfs/dbraw/zinc/81/30/53/863813053.db2.gz	ISKSKFLHJSEMHR-HYVNUMGLSA-N	1	0	356.474	1.790	20	30		FDEDRO
C=CCN1CC(=O)N(CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)C1=O	ZINC000761032008	863822152	/nfs/dbraw/zinc/82/21/52/863822152.db2.gz	NNUQDQJMTVOEPM-GOSISDBHSA-N	1	0	356.470	1.815	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1	ZINC000946744031	881706715	/nfs/dbraw/zinc/70/67/15/881706715.db2.gz	JUDMJTDUMPVQDG-SQNIBIBYSA-N	1	0	363.502	1.558	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC(=O)NC2)C[C@H]1C(F)(F)F	ZINC001112113004	863937395	/nfs/dbraw/zinc/93/73/95/863937395.db2.gz	YBMYMNNDDSTEQI-MGPQQGTHSA-N	1	0	361.408	1.848	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCCC2)[C@H](C)C1	ZINC001105912312	863947776	/nfs/dbraw/zinc/94/77/76/863947776.db2.gz	BJKXTSHTGSPWKY-FGTMMUONSA-N	1	0	365.518	1.664	20	30		FDEDRO
COc1ccc(CN2CC[C@H](NC(=O)c3n[nH]cc3F)[C@H]2C)cc1C#N	ZINC001088841476	863984679	/nfs/dbraw/zinc/98/46/79/863984679.db2.gz	HRVJLBGUCSVFPE-ABAIWWIYSA-N	1	0	357.389	1.822	20	30		FDEDRO
CC[NH+](CC)Cc1cc(C(C)=NN[C@H]2CCS(=O)(=O)C2)ccc1O	ZINC000916540812	881726134	/nfs/dbraw/zinc/72/61/34/881726134.db2.gz	OKUJOXHBIVJPIB-INIZCTEOSA-N	1	0	353.488	1.735	20	30		FDEDRO
CC[NH+](CC)Cc1cc(C(C)=NN[C@@H]2CCS(=O)(=O)C2)ccc1O	ZINC000916540813	881726484	/nfs/dbraw/zinc/72/64/84/881726484.db2.gz	OKUJOXHBIVJPIB-MRXNPFEDSA-N	1	0	353.488	1.735	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2c(C)nn(C)c2Cl)[C@H](C)C1	ZINC001105943003	864163816	/nfs/dbraw/zinc/16/38/16/864163816.db2.gz	UFFSULKBFNPMJJ-TZMCWYRMSA-N	1	0	354.882	1.769	20	30		FDEDRO
CCC(=O)NCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)c(C#N)c2)[C@H](C)C1	ZINC001105945215	864181112	/nfs/dbraw/zinc/18/11/12/864181112.db2.gz	PFDRZTOCJYSTSB-CZUORRHYSA-N	1	0	360.433	1.408	20	30		FDEDRO
CC(C)CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C	ZINC001105951527	864210376	/nfs/dbraw/zinc/21/03/76/864210376.db2.gz	FYISIRNUMCDVBS-GVDBMIGSSA-N	1	0	366.506	1.009	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cc(F)cc(F)c2)[C@H](C)C1	ZINC001105951782	864211959	/nfs/dbraw/zinc/21/19/59/864211959.db2.gz	LFPUPLTVOAJORV-JHJVBQTASA-N	1	0	364.396	1.747	20	30		FDEDRO
C=CCN1CC(=O)N(Cc2ccccc2OCCN2CCOCC2)C1=O	ZINC000761158931	864249997	/nfs/dbraw/zinc/24/99/97/864249997.db2.gz	CATFTPGYCJYACI-UHFFFAOYSA-N	1	0	359.426	1.348	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+][C@H]2CCCN(C)C2=O)[C@H](C)C1	ZINC001105987241	864363261	/nfs/dbraw/zinc/36/32/61/864363261.db2.gz	BCMGJMNLXOVOBR-ZACQAIPSSA-N	1	0	351.491	1.274	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccc(F)cc2)[C@H](C)C1)n1cncn1	ZINC001106018085	864660013	/nfs/dbraw/zinc/66/00/13/864660013.db2.gz	DPEVBFZVGVNWRQ-JFIYKMOQSA-N	1	0	369.444	1.714	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCS(=O)(=O)C2)c(OC)c1	ZINC000641966811	864671491	/nfs/dbraw/zinc/67/14/91/864671491.db2.gz	RRYBGFINQAUGBI-HOTGVXAUSA-N	1	0	369.483	1.188	20	30		FDEDRO
CCN(CC)C(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC001106021536	864720452	/nfs/dbraw/zinc/72/04/52/864720452.db2.gz	YJKVMGTXOOGNOL-QLFBSQMISA-N	1	0	359.474	1.441	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C)C(=O)NC(C)(C)C	ZINC001106021364	864727483	/nfs/dbraw/zinc/72/74/83/864727483.db2.gz	VPNRVLUZJRIECQ-HZSPNIEDSA-N	1	0	359.474	1.487	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+]CCNC(=O)NC(C)C)[C@H](C)C1	ZINC001106028211	864866860	/nfs/dbraw/zinc/86/68/60/864866860.db2.gz	RWXCMPJYPPHGAD-IAGOWNOFSA-N	1	0	350.507	1.572	20	30		FDEDRO
CCCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC001106029449	864881957	/nfs/dbraw/zinc/88/19/57/864881957.db2.gz	SDXDFQGSCUQEKE-IIAWOOMASA-N	1	0	359.474	1.489	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCO[C@H](C)C2)[C@H](C)C1	ZINC001106029550	864884489	/nfs/dbraw/zinc/88/44/89/864884489.db2.gz	XOKBRWFAZMIJEX-KZNAEPCWSA-N	1	0	363.502	1.111	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]C[C@H](OC)c2ccccc2)[C@H](C)C1	ZINC001106034416	864912662	/nfs/dbraw/zinc/91/26/62/864912662.db2.gz	DLDUPAZBEHNTTM-QRQLOZEOSA-N	1	0	371.481	1.198	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(Cl)cc2)[C@H](C)C1	ZINC001106035307	864916525	/nfs/dbraw/zinc/91/65/25/864916525.db2.gz	RITNXQKCPGAHFE-GDBMZVCRSA-N	1	0	361.873	1.664	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)CC)C[C@H]1C	ZINC001106061968	865083037	/nfs/dbraw/zinc/08/30/37/865083037.db2.gz	PWAGVZLNJKFFAA-RBSFLKMASA-N	1	0	352.479	1.119	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nn(C)cc2Cl)[C@H](C)C1	ZINC001106065035	865105142	/nfs/dbraw/zinc/10/51/42/865105142.db2.gz	MZROTKKLHQOVNG-XNJGSVPQSA-N	1	0	354.882	1.585	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1COc2c(cccc2OC)C1)C1CC[NH+](C)CC1	ZINC000916624061	881841451	/nfs/dbraw/zinc/84/14/51/881841451.db2.gz	JSSWIMXBWFBGDP-INIZCTEOSA-N	1	0	357.454	1.738	20	30		FDEDRO
Cc1ccn(CC(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)c(=O)c1	ZINC001088892920	865263998	/nfs/dbraw/zinc/26/39/98/865263998.db2.gz	XXMCIQJDJHBFRK-APWZRJJASA-N	1	0	364.449	1.808	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CCn3nc(C)cc3C)[C@@H]2C)nn1	ZINC001088906960	865369979	/nfs/dbraw/zinc/36/99/79/865369979.db2.gz	TWBIMDGRQYVHEJ-CVEARBPZSA-N	1	0	357.462	1.170	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1	ZINC000172124382	865464433	/nfs/dbraw/zinc/46/44/33/865464433.db2.gz	NYRLMCZIFDEMKP-HNENSFHCSA-N	1	0	353.426	1.652	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C(C)(C)N2CCOCC2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088921202	865472681	/nfs/dbraw/zinc/47/26/81/865472681.db2.gz	VVKVVKVJMWSXSJ-APWZRJJASA-N	1	0	370.497	1.748	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2CN(Cc3ccc(CC)cc3)C[C@@H]2O)nn1	ZINC001083848928	881901288	/nfs/dbraw/zinc/90/12/88/881901288.db2.gz	FKLMDACIFZIBEH-MJGOQNOKSA-N	1	0	369.469	1.392	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(C(=O)C23CCC[NH+]2CCC3)C1	ZINC000991976879	866703022	/nfs/dbraw/zinc/70/30/22/866703022.db2.gz	HZSLXVODTHMTOR-IRXDYDNUSA-N	1	0	361.486	1.313	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1	ZINC000991979260	866747806	/nfs/dbraw/zinc/74/78/06/866747806.db2.gz	GVBZGTDTFDYGNV-ULQDDVLXSA-N	1	0	351.491	1.271	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1	ZINC000994307051	882089782	/nfs/dbraw/zinc/08/97/82/882089782.db2.gz	NHUXSQCBUZXMON-OXQOHEQNSA-N	1	0	367.493	1.986	20	30		FDEDRO
C=CCn1c(COC)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1	ZINC000669808194	867591977	/nfs/dbraw/zinc/59/19/77/867591977.db2.gz	JBWHCDYGYRLUPC-UHFFFAOYSA-N	1	0	362.522	1.605	20	30		FDEDRO
C=CCn1c(-c2ccccn2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000669808751	867603203	/nfs/dbraw/zinc/60/32/03/867603203.db2.gz	AUZOZHCPDOMXMT-INIZCTEOSA-N	1	0	354.458	1.827	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1	ZINC000992077110	867714869	/nfs/dbraw/zinc/71/48/69/867714869.db2.gz	BOPWKRNENPWLAV-SQNIBIBYSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1	ZINC000992077209	867715336	/nfs/dbraw/zinc/71/53/36/867715336.db2.gz	DFVJQLFMQSWKGY-NXHRZFHOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@@H+](CC)[C@H](C)C1	ZINC000669816585	867721067	/nfs/dbraw/zinc/72/10/67/867721067.db2.gz	HWWIRPYTYBRFLR-CQSZACIVSA-N	1	0	355.446	1.642	20	30		FDEDRO
C=CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1	ZINC000669816968	867761048	/nfs/dbraw/zinc/76/10/48/867761048.db2.gz	OGWDGIKAECIVOX-INIZCTEOSA-N	1	0	358.490	1.765	20	30		FDEDRO
COCc1ccc(CNC(=O)CON=C(N)C[NH+]2CCCCCC2)cc1	ZINC000151528724	867978536	/nfs/dbraw/zinc/97/85/36/867978536.db2.gz	NPESBHZFEMZXHD-UHFFFAOYSA-N	1	0	362.474	1.614	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1C	ZINC001106098854	868039353	/nfs/dbraw/zinc/03/93/53/868039353.db2.gz	SANCUWLEPKDXPH-BZUAXINKSA-N	1	0	361.490	1.521	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001061621937	882157991	/nfs/dbraw/zinc/15/79/91/882157991.db2.gz	IUYSUSCDPZHNEA-IXDOHACOSA-N	1	0	365.518	1.663	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1C#N	ZINC000460129157	868172671	/nfs/dbraw/zinc/17/26/71/868172671.db2.gz	IAJRVKTWQQUURP-LSDHHAIUSA-N	1	0	374.514	1.782	20	30		FDEDRO
CCCn1nccc1NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C	ZINC001106106435	868183566	/nfs/dbraw/zinc/18/35/66/868183566.db2.gz	XEDKJEGBFNWHFT-NVXWUHKLSA-N	1	0	371.485	1.329	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]CC(=O)NCCc1ccccc1	ZINC001106106408	868183777	/nfs/dbraw/zinc/18/37/77/868183777.db2.gz	WHRMKSYMEPXQQD-YLJYHZDGSA-N	1	0	367.493	1.443	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)[C@H](C)C1	ZINC001106110691	868380520	/nfs/dbraw/zinc/38/05/20/868380520.db2.gz	CIRMCOBHFDDOLD-RVKKMQEKSA-N	1	0	357.429	1.920	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nc(CC(C)C)no2)[C@H](C)C1	ZINC001106111409	868389701	/nfs/dbraw/zinc/38/97/01/868389701.db2.gz	LSDJRWKJEYZWKU-BZUAXINKSA-N	1	0	362.474	1.491	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc3c(c2)COC3)[C@H](C)C1	ZINC001106112194	868405071	/nfs/dbraw/zinc/40/50/71/868405071.db2.gz	XXIVXATWOOZFLS-JXXFODFXSA-N	1	0	356.466	1.939	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2nc([C@@H](C)OC)no2)[C@H](C)C1	ZINC001106114810	868506169	/nfs/dbraw/zinc/50/61/69/868506169.db2.gz	JILKLVFIZXTBNZ-RBSFLKMASA-N	1	0	364.446	1.001	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1[N@H+](Cc1nccnc1C)CC2	ZINC000992239596	868548163	/nfs/dbraw/zinc/54/81/63/868548163.db2.gz	JVANRBFEZUIZFL-QEEHTWDDSA-N	1	0	356.470	1.989	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2csnc2OC)[C@H](C)C1	ZINC001106117156	868587394	/nfs/dbraw/zinc/58/73/94/868587394.db2.gz	IDYWXKLSQMPQOE-ZIAGYGMSSA-N	1	0	351.472	1.376	20	30		FDEDRO
C[C@@H]1CN(C(=O)CO[C@@H]2CCOC2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106120996	868767115	/nfs/dbraw/zinc/76/71/15/868767115.db2.gz	JDQJLVHFLWSFTL-MISYRCLQSA-N	1	0	356.466	1.528	20	30		FDEDRO
C[NH+]=C(NCc1c(C)nn(C)c1C)NCc1cccnc1-n1ccnc1	ZINC000176363761	869299037	/nfs/dbraw/zinc/29/90/37/869299037.db2.gz	CVSMSMHWTMQDDD-UHFFFAOYSA-N	1	0	352.446	1.483	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC(NC(=O)C23CCC[NH+]2CCC3)C1	ZINC000992421026	869316312	/nfs/dbraw/zinc/31/63/12/869316312.db2.gz	RODXTPFNKFPVOW-BACDZXNISA-N	1	0	361.486	1.217	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N[C@@](C)(CO)Cc1ccc(OC)c(OC)c1	ZINC000913810864	869691260	/nfs/dbraw/zinc/69/12/60/869691260.db2.gz	VTOAEDGMLZORMO-LJQANCHMSA-N	1	0	350.459	1.621	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccc(N3CCCC3=O)cc2)CC1	ZINC000913951874	870106790	/nfs/dbraw/zinc/10/67/90/870106790.db2.gz	QAEDMUDRMGOUBE-UHFFFAOYSA-N	1	0	354.454	1.710	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN2C(=O)CC(C)(C)C2=O)C[C@H]1C	ZINC001106133886	870151696	/nfs/dbraw/zinc/15/16/96/870151696.db2.gz	PRDWBLYGVXYYRW-BZUAXINKSA-N	1	0	363.502	1.810	20	30		FDEDRO
C#CCN(C(=O)N[C@H](C)c1nnc2n1CCCCC2)C1CC[NH+](C)CC1	ZINC000916799521	882409866	/nfs/dbraw/zinc/40/98/66/882409866.db2.gz	BKIOTXAPYDIGST-OAHLLOKOSA-N	1	0	358.490	1.805	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1	ZINC000914090050	870689841	/nfs/dbraw/zinc/68/98/41/870689841.db2.gz	XENWBDBNBLQLTQ-RTBURBONSA-N	1	0	358.486	1.049	20	30		FDEDRO
N#Cc1cc(CS(=O)(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cs1	ZINC000914115159	870864497	/nfs/dbraw/zinc/86/44/97/870864497.db2.gz	SWKPOQQBWPFVSN-OAHLLOKOSA-N	1	0	369.512	1.683	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccc(Cn3cccn3)cc2)CC1	ZINC000914138523	871044489	/nfs/dbraw/zinc/04/44/89/871044489.db2.gz	XQDXYOXDVATEDE-UHFFFAOYSA-N	1	0	351.454	1.828	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@]3(C)C2)cn1	ZINC000992689298	871349684	/nfs/dbraw/zinc/34/96/84/871349684.db2.gz	OXOCAJHDYQTJHX-MMOPVJDHSA-N	1	0	366.465	1.078	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccnn2C2CCC2)C[C@H]1C	ZINC001106143671	871370575	/nfs/dbraw/zinc/37/05/75/871370575.db2.gz	HRDYZXGYJHVOOH-OWCLPIDISA-N	1	0	371.485	1.044	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CNC(=O)C2CCCC2)C[C@H]1C	ZINC001106168163	871539617	/nfs/dbraw/zinc/53/96/17/871539617.db2.gz	XCZJKJQLDDXXFE-NVXWUHKLSA-N	1	0	351.491	1.180	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3c2CCCC3)C[C@H]1C	ZINC001106169355	871558081	/nfs/dbraw/zinc/55/80/81/871558081.db2.gz	BPSXUWJZFIJWGK-SJLPKXTDSA-N	1	0	367.493	1.613	20	30		FDEDRO
C#CCN(C(=O)N[C@@H](C)[C@H]1CCCN(C(=O)OC)C1)C1CC[NH+](C)CC1	ZINC000922050545	871592018	/nfs/dbraw/zinc/59/20/18/871592018.db2.gz	HMHHJAZASPHZAX-HOTGVXAUSA-N	1	0	364.490	1.592	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCOCC2)[C@H](C)C1	ZINC001106177141	871610789	/nfs/dbraw/zinc/61/07/89/871610789.db2.gz	OPSRMZYICNZHKM-UKRRQHHQSA-N	1	0	371.909	1.308	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)C4CC(C)C4)C[C@]3(C)C2)CC1	ZINC000992759776	871939623	/nfs/dbraw/zinc/93/96/23/871939623.db2.gz	GQOOMYFROGWYHP-ZEQMNNAYSA-N	1	0	371.525	1.685	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H](C1CC1)[NH+](C)C	ZINC001067638441	882640226	/nfs/dbraw/zinc/64/02/26/882640226.db2.gz	SKQOIHHYWANIPU-IXDOHACOSA-N	1	0	351.491	1.225	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCC(=O)Nc2ccc(OCC)cc2)CC1	ZINC000914386959	872641575	/nfs/dbraw/zinc/64/15/75/872641575.db2.gz	NOOJEUKKPVUVTF-UHFFFAOYSA-N	1	0	358.442	1.421	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@H]2C)cc1	ZINC000994413910	882647740	/nfs/dbraw/zinc/64/77/40/882647740.db2.gz	YWIJRRCNGKRDBI-MBOZVWFJSA-N	1	0	367.493	1.977	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc3cccnn31)C2	ZINC001112541537	872746388	/nfs/dbraw/zinc/74/63/88/872746388.db2.gz	BSGHYSLLHSOTDQ-UWJYYQICSA-N	1	0	366.465	1.816	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1nnn(C)c1C(F)(F)F)C2	ZINC001112541673	872805422	/nfs/dbraw/zinc/80/54/22/872805422.db2.gz	IZSLTXHFIACCEX-LRDDRELGSA-N	1	0	369.391	1.689	20	30		FDEDRO
CC(C)N1CC[C@H](NC(=O)Cn2cnc(C#N)n2)[C@H]1c1ccc(F)c(F)c1	ZINC000494092102	872808498	/nfs/dbraw/zinc/80/84/98/872808498.db2.gz	JBKSOMNTWMMEHN-MAUKXSAKSA-N	1	0	374.395	1.768	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@@H]2CCCO2)[C@H](C)C1	ZINC001106183976	873070197	/nfs/dbraw/zinc/07/01/97/873070197.db2.gz	XXEGDPIFWHYUPZ-ZACQAIPSSA-N	1	0	365.518	1.568	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](C)SC)CC1	ZINC001003363603	873216592	/nfs/dbraw/zinc/21/65/92/873216592.db2.gz	RHRCYKGNFNPJTO-DZUCGIPZSA-N	1	0	363.527	1.331	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@@H]2C=CCC2)CC1	ZINC001003363844	873218603	/nfs/dbraw/zinc/21/86/03/873218603.db2.gz	VUEKJWXYCGSQEL-AFYVEPGGSA-N	1	0	369.509	1.936	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)[C@H](C)C1	ZINC001106194301	873270019	/nfs/dbraw/zinc/27/00/19/873270019.db2.gz	IPKDYHHTLRYGFK-IXDOHACOSA-N	1	0	356.532	1.852	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1)OCC	ZINC001106197252	873454092	/nfs/dbraw/zinc/45/40/92/873454092.db2.gz	NJPCXYSIDAWVMP-OAGGEKHMSA-N	1	0	360.520	1.086	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](C[NH2+]Cc2nc(C)no2)[C@H](C)C1)OCC	ZINC001106197289	873455146	/nfs/dbraw/zinc/45/51/46/873455146.db2.gz	OREDMTOFHFNURY-FVQBIDKESA-N	1	0	350.463	1.933	20	30		FDEDRO
CC(C)C(=O)N(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1	ZINC001106202950	873674019	/nfs/dbraw/zinc/67/40/19/873674019.db2.gz	IFKBLANZBUEMKL-VQIMIIECSA-N	1	0	370.497	1.857	20	30		FDEDRO
C[C@@H]1CN(C(=O)CN(C)C(=O)C2CC2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106205278	873690377	/nfs/dbraw/zinc/69/03/77/873690377.db2.gz	KCHFZLNOFQRTFI-YLJYHZDGSA-N	1	0	367.493	1.591	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCN2C(=O)CCC2=O)C[C@H]1C	ZINC001106208328	873728959	/nfs/dbraw/zinc/72/89/59/873728959.db2.gz	CQWBAXYQLZXVKC-IXDOHACOSA-N	1	0	363.502	1.954	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCN2C(=O)CCC2=O)C[C@H]1C	ZINC001106208327	873729334	/nfs/dbraw/zinc/72/93/34/873729334.db2.gz	CQWBAXYQLZXVKC-BRWVUGGUSA-N	1	0	363.502	1.954	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](Cc2cc(CO)ccc2F)CC1	ZINC001003651944	873926194	/nfs/dbraw/zinc/92/61/94/873926194.db2.gz	KLCJNKGBPTUVNQ-MJGOQNOKSA-N	1	0	362.445	1.990	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2[nH]ccc2C2CC2)C[C@H]1C	ZINC001106229342	874004317	/nfs/dbraw/zinc/00/43/17/874004317.db2.gz	RHHAHUOKZLCZMT-IJEWVQPXSA-N	1	0	356.470	1.328	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3nc(C)no3)[C@H](C)C2)CCOCC1	ZINC001106232766	874037275	/nfs/dbraw/zinc/03/72/75/874037275.db2.gz	JMVCRIUGJPJPCL-GDBMZVCRSA-N	1	0	360.458	1.382	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NCCC)[C@H](C)C1	ZINC001106256094	874174200	/nfs/dbraw/zinc/17/42/00/874174200.db2.gz	XTHFZCCTPWMHLT-IXDOHACOSA-N	1	0	360.502	1.887	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC[NH+]([C@H]2CCN(CC)C2=O)CC1	ZINC001003762497	874189113	/nfs/dbraw/zinc/18/91/13/874189113.db2.gz	FJQRXANLHQMTFM-BZSNNMDCSA-N	1	0	363.502	1.559	20	30		FDEDRO
CNC(=O)CCOC1CC[NH+](CCOc2ccc(C#N)cc2OC)CC1	ZINC000494968834	874340934	/nfs/dbraw/zinc/34/09/34/874340934.db2.gz	DKEOZVWABWOUKN-UHFFFAOYSA-N	1	0	361.442	1.563	20	30		FDEDRO
O=S1(=O)CC[C@@H](NN=Cc2ccc(OCC[NH+]3CCCC3)cc2)C1	ZINC000914689976	874506006	/nfs/dbraw/zinc/50/60/06/874506006.db2.gz	FYTFLSNAMQGCGB-MRXNPFEDSA-N	1	0	351.472	1.272	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cn(CC(F)F)nc2C)C[C@H]1C	ZINC001106288944	874507431	/nfs/dbraw/zinc/50/74/31/874507431.db2.gz	UEFDIWMAFPMGHY-UKRRQHHQSA-N	1	0	370.444	1.957	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ncn(-c3ccccc3)n2)C[C@H]1C	ZINC001106295386	874575344	/nfs/dbraw/zinc/57/53/44/874575344.db2.gz	LMQKISZEWANPPQ-IAGOWNOFSA-N	1	0	369.469	1.768	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccccc2CC)C[C@H]1C	ZINC001106305671	874668391	/nfs/dbraw/zinc/66/83/91/874668391.db2.gz	FPKYZIXQCKFIAX-MBOZVWFJSA-N	1	0	369.509	1.614	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cn3c(n2)C[C@H](C)CC3)C[C@H]1C	ZINC001106314807	874754890	/nfs/dbraw/zinc/75/48/90/874754890.db2.gz	SZRCFZWAVPPQHH-BRWVUGGUSA-N	1	0	358.486	1.413	20	30		FDEDRO
C[C@@]12CN(C(=O)C#CC3CC3)C[C@@H]1CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2	ZINC000993145478	874877846	/nfs/dbraw/zinc/87/78/46/874877846.db2.gz	JUDRXZVHYJXUTI-UZKOGDIHSA-N	1	0	369.509	1.581	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2[nH]nc(C3CC3)c2Cl)C[C@H]1C	ZINC001106373509	874979054	/nfs/dbraw/zinc/97/90/54/874979054.db2.gz	HUTSRMGRJZWQME-TZMCWYRMSA-N	1	0	364.877	1.888	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(COC)cs2)C[C@H]1C	ZINC001106379758	874994946	/nfs/dbraw/zinc/99/49/46/874994946.db2.gz	OHOGTKITUDLRFM-UKRRQHHQSA-N	1	0	365.499	1.494	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccnc3ccccc32)C[C@H]1C	ZINC001106390940	875053502	/nfs/dbraw/zinc/05/35/02/875053502.db2.gz	LVHAEFQCGSNURI-HZPDHXFCSA-N	1	0	364.449	1.282	20	30		FDEDRO
Cc1ccc(CCC(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)cc1	ZINC001106399718	875093197	/nfs/dbraw/zinc/09/31/97/875093197.db2.gz	NZIQZPNNYNECGL-SJLPKXTDSA-N	1	0	356.470	1.252	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2nc(C)cs2)C[C@H]1C	ZINC001106432246	875266440	/nfs/dbraw/zinc/26/64/40/875266440.db2.gz	RQYMIQUUCSOCQN-UKRRQHHQSA-N	1	0	364.515	1.370	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)C1	ZINC001005288031	882915251	/nfs/dbraw/zinc/91/52/51/882915251.db2.gz	RNPHKEGPUJMDLI-MKXGPGLRSA-N	1	0	357.498	1.770	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2conc2C(F)(F)F)C[C@H]1C	ZINC001106433319	875296602	/nfs/dbraw/zinc/29/66/02/875296602.db2.gz	GRJZTJPHVNCRKA-VXGBXAGGSA-N	1	0	359.348	1.641	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(=O)[nH]c2)C[C@H]1C	ZINC001106441308	875312736	/nfs/dbraw/zinc/31/27/36/875312736.db2.gz	XYYQMEVMNCTMED-BXUZGUMPSA-N	1	0	368.275	1.922	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C[C@H]1C	ZINC001106460960	875446291	/nfs/dbraw/zinc/44/62/91/875446291.db2.gz	CLKYOMBERHVBDM-MKXGPGLRSA-N	1	0	365.518	1.126	20	30		FDEDRO
CCn1cc(CC(=O)N2C[C@@H](C[NH2+]CC#Cc3ccccc3)[C@H](C)C2)nn1	ZINC001106461147	875448746	/nfs/dbraw/zinc/44/87/46/875448746.db2.gz	MXOVELOTUCGXOK-IEBWSBKVSA-N	1	0	365.481	1.576	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCCC2(F)F)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106473564	875538841	/nfs/dbraw/zinc/53/88/41/875538841.db2.gz	RSVQIRRQXNLWMP-MCIONIFRSA-N	1	0	356.417	1.136	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2COCCN2CC(F)F)C[C@H]1C	ZINC001106476764	875579441	/nfs/dbraw/zinc/57/94/41/875579441.db2.gz	WMCSITLIHDPKIH-MRVWCRGKSA-N	1	0	365.852	1.389	20	30		FDEDRO
CCO[C@H](C(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1)C1CCCC1	ZINC001106486683	875624448	/nfs/dbraw/zinc/62/44/48/875624448.db2.gz	CXVKFYRLQCKPFR-QRQLOZEOSA-N	1	0	350.503	1.916	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](OCC)C2CCCC2)C[C@H]1C	ZINC001106487032	875626086	/nfs/dbraw/zinc/62/60/86/875626086.db2.gz	OATMULXAVIXSGW-SZVBFZGTSA-N	1	0	365.518	1.568	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3ccc(C)cc3[nH]2)C[C@H]1C	ZINC001106492700	875670154	/nfs/dbraw/zinc/67/01/54/875670154.db2.gz	FCWIXTYCMPPIRL-NVXWUHKLSA-N	1	0	366.465	1.523	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC(=O)Nc3ccccc32)C[C@H]1C	ZINC001106499339	875718011	/nfs/dbraw/zinc/71/80/11/875718011.db2.gz	FWGHPQKQWQKFBS-NUJGCVRESA-N	1	0	369.465	1.446	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)n2ccc(C)n2)C[C@H]1C	ZINC001106517862	875814251	/nfs/dbraw/zinc/81/42/51/875814251.db2.gz	WYZDEWYXRNNULO-DJIMGWMZSA-N	1	0	361.490	1.129	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C)(C)c2cccs2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106522417	875828685	/nfs/dbraw/zinc/82/86/85/875828685.db2.gz	MPOCIQYQUJZQHS-ZIAGYGMSSA-N	1	0	362.499	1.350	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)Nc2ncccn2)[C@H](C)C1	ZINC001106527183	875846391	/nfs/dbraw/zinc/84/63/91/875846391.db2.gz	KSPXNDYOONLULI-RBSFLKMASA-N	1	0	359.474	1.700	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106524390	875853132	/nfs/dbraw/zinc/85/31/32/875853132.db2.gz	JBBFLLJDCZWZHC-GDBMZVCRSA-N	1	0	370.428	1.614	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106524799	875854550	/nfs/dbraw/zinc/85/45/50/875854550.db2.gz	UMMGTSYHQODIMH-NVXWUHKLSA-N	1	0	352.438	1.475	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)C=C)C[C@H]1C	ZINC001106530396	875862836	/nfs/dbraw/zinc/86/28/36/875862836.db2.gz	COCWRRMJUWMPOL-QLFBSQMISA-N	1	0	364.490	1.283	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H](C[NH2+]CCNS(=O)(=O)CC)[C@H](C)C1	ZINC001106533663	875885249	/nfs/dbraw/zinc/88/52/49/875885249.db2.gz	FTOIAICMFKRFRY-IAGOWNOFSA-N	1	0	371.547	1.194	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(CC)CCC2)C[C@H]1C	ZINC001106549748	875924298	/nfs/dbraw/zinc/92/42/98/875924298.db2.gz	HVGJFDJFKXKPBB-HUUCEWRRSA-N	1	0	364.490	1.263	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(F)(F)F)[C@H](C)C1	ZINC001106558400	875951540	/nfs/dbraw/zinc/95/15/40/875951540.db2.gz	YDCNXURNWBPKEN-ZIAGYGMSSA-N	1	0	361.408	1.543	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](C[NH2+]CCCN2C(=O)CNC2=O)[C@H](C)C1	ZINC001106567318	875976155	/nfs/dbraw/zinc/97/61/55/875976155.db2.gz	CWHSPTIQGXULGX-BZUAXINKSA-N	1	0	364.490	1.215	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2c(C)cc(C)[nH]c2=O)C[C@H]1C	ZINC001106573113	875990244	/nfs/dbraw/zinc/99/02/44/875990244.db2.gz	OQJXUOMAHLDBHB-NVXWUHKLSA-N	1	0	359.470	1.280	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(C(F)F)CCCC2)C[C@H]1C	ZINC001106575580	876007542	/nfs/dbraw/zinc/00/75/42/876007542.db2.gz	GJTKKDXGONLWOX-QLFBSQMISA-N	1	0	369.456	1.634	20	30		FDEDRO
CCC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)c1ccccn1	ZINC001106588633	876072360	/nfs/dbraw/zinc/07/23/60/876072360.db2.gz	DPHWPNXQZUFGCL-ZACQAIPSSA-N	1	0	371.485	1.289	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C)[C@H](C)C1	ZINC001106612535	876173369	/nfs/dbraw/zinc/17/33/69/876173369.db2.gz	BFLMQLALGCQGRL-OWCLPIDISA-N	1	0	366.506	1.650	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NC(C)C)[C@H](C)C1	ZINC001106612534	876173499	/nfs/dbraw/zinc/17/34/99/876173499.db2.gz	BFLMQLALGCQGRL-BZUAXINKSA-N	1	0	366.506	1.650	20	30		FDEDRO
N#Cc1ccc(OCCC[NH+]2CCN(c3ccc(C(N)=O)cn3)CC2)cc1	ZINC000917104312	883002658	/nfs/dbraw/zinc/00/26/58/883002658.db2.gz	XHCVCLPHQQDGGP-UHFFFAOYSA-N	1	0	365.437	1.643	20	30		FDEDRO
C[C@H](OC(=O)CSCC#N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000915386472	876216291	/nfs/dbraw/zinc/21/62/91/876216291.db2.gz	MEKRBCDCCKHXBO-GOEBONIOSA-N	1	0	361.467	1.566	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2conc2C)C[C@H]1C	ZINC001106618314	876233288	/nfs/dbraw/zinc/23/32/88/876233288.db2.gz	KUGTWHIENSRGKS-UKRRQHHQSA-N	1	0	361.446	1.043	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C)c(Cl)c2)C[C@H]1C	ZINC001106618477	876234832	/nfs/dbraw/zinc/23/48/32/876234832.db2.gz	SKKINMBOMPLNLD-GDBMZVCRSA-N	1	0	361.873	1.696	20	30		FDEDRO
COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3ccc(OCC#N)cc3)C2)nn1	ZINC000762626038	876260516	/nfs/dbraw/zinc/26/05/16/876260516.db2.gz	VKKYVZMFBOTSBR-OAHLLOKOSA-N	1	0	355.398	1.804	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCCCOC)[C@H](C)C2)CC1	ZINC001106633974	876284799	/nfs/dbraw/zinc/28/47/99/876284799.db2.gz	YBAWUPQLFQNBTO-IAGOWNOFSA-N	1	0	365.518	1.570	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NC)[C@H](C)C2)CCC1	ZINC001106635837	876319058	/nfs/dbraw/zinc/31/90/58/876319058.db2.gz	GMRMZTWTEKZJOO-RBSFLKMASA-N	1	0	364.490	1.261	20	30		FDEDRO
CCC[C@@H]1C[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CCC#N)[C@H](C)C1	ZINC001106640297	876333289	/nfs/dbraw/zinc/33/32/89/876333289.db2.gz	SEJWECBPEGVLHO-BRSBDYLESA-N	1	0	362.518	1.869	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)Nc3ncccn3)[C@H](C)C2)C1	ZINC001106647920	876383561	/nfs/dbraw/zinc/38/35/61/876383561.db2.gz	YEHHHWZCQUTBME-OWCLPIDISA-N	1	0	371.485	1.844	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N(CC)CC)[C@H](C)C2)c1	ZINC001106650933	876390639	/nfs/dbraw/zinc/39/06/39/876390639.db2.gz	LBIYKAXPCKALOV-CRAIPNDOSA-N	1	0	356.470	1.229	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2cc(C)on2)C[C@H]1C	ZINC001106655874	876419323	/nfs/dbraw/zinc/41/93/23/876419323.db2.gz	GKVWARPXOIUXSR-VNQPRFMTSA-N	1	0	362.474	1.290	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCn2cc(Cl)cn2)[C@H](C)C1	ZINC001106680478	876547720	/nfs/dbraw/zinc/54/77/20/876547720.db2.gz	RDLXGCWDTPJJMI-SRABZTEZSA-N	1	0	366.893	1.812	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(F)c(F)c(F)c2)C[C@H]1C	ZINC001106694697	876578784	/nfs/dbraw/zinc/57/87/84/876578784.db2.gz	YKQCMJBILZDBOM-DGCLKSJQSA-N	1	0	369.387	1.704	20	30		FDEDRO
CC[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1	ZINC001106690609	876583419	/nfs/dbraw/zinc/58/34/19/876583419.db2.gz	KEGKPGZTGRPBMG-ZMYBRWDISA-N	1	0	356.470	1.657	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(OC)c2C)C[C@H]1C	ZINC001106703856	876694219	/nfs/dbraw/zinc/69/42/19/876694219.db2.gz	YBBRHQZXTONIKG-GDBMZVCRSA-N	1	0	357.454	1.051	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)c1ccccc1	ZINC001106706401	876851642	/nfs/dbraw/zinc/85/16/42/876851642.db2.gz	ZJBWDSPXEJCJMX-YVWKXTFCSA-N	1	0	370.497	1.750	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC001005356196	883084736	/nfs/dbraw/zinc/08/47/36/883084736.db2.gz	HZAZFMZFVBGRLQ-VJHAZISPSA-N	1	0	369.469	1.478	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2csc(C)n2)C[C@H]1C	ZINC001106727895	877009883	/nfs/dbraw/zinc/00/98/83/877009883.db2.gz	YQHOUHDWISLEAJ-UKRRQHHQSA-N	1	0	364.515	1.370	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)NCCC[N@@H+](C)CCN(C)C	ZINC000915696527	877221175	/nfs/dbraw/zinc/22/11/75/877221175.db2.gz	LFSLOGFTJHJXDP-UHFFFAOYSA-N	1	0	366.531	1.478	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]CCCCCOC)[C@H](C)C1	ZINC001106733662	877273961	/nfs/dbraw/zinc/27/39/61/877273961.db2.gz	DHBAANPFPNMAKZ-QRQLOZEOSA-N	1	0	367.534	1.958	20	30		FDEDRO
CCCCC[C@@H](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106734208	877281609	/nfs/dbraw/zinc/28/16/09/877281609.db2.gz	RRIMIWVXJHMFMO-BRWVUGGUSA-N	1	0	350.507	1.917	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(C#N)c[nH]1	ZINC001003866428	877399558	/nfs/dbraw/zinc/39/95/58/877399558.db2.gz	YWOIHBSXVXGEEI-TXCZRRACSA-N	1	0	355.442	1.232	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc([C@@H](C)CC)no2)C[C@H]1C	ZINC001106741657	877401271	/nfs/dbraw/zinc/40/12/71/877401271.db2.gz	MDQGKRQLJXZXKR-RRFJBIMHSA-N	1	0	362.474	1.788	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C2	ZINC001112542286	877421405	/nfs/dbraw/zinc/42/14/05/877421405.db2.gz	OWUIUJAFCJWQGS-YJBOKZPZSA-N	1	0	371.547	1.499	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)CC)[C@H](C)C2)cc1	ZINC001106742645	877424528	/nfs/dbraw/zinc/42/45/28/877424528.db2.gz	KXRZXRCEYVCCTP-SJLPKXTDSA-N	1	0	371.481	1.475	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C1	ZINC001106752864	877523447	/nfs/dbraw/zinc/52/34/47/877523447.db2.gz	PYVKVCPPEBEYLU-NCOADZHNSA-N	1	0	372.531	1.086	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C[C@H]1C	ZINC001106753938	877563288	/nfs/dbraw/zinc/56/32/88/877563288.db2.gz	YAQVFQNOKYIWSE-MWQQHZPXSA-N	1	0	366.893	1.725	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccn3ccnc23)C[C@H]1C	ZINC001106758628	877591371	/nfs/dbraw/zinc/59/13/71/877591371.db2.gz	CJLMHQFAVWXKOB-BZUAXINKSA-N	1	0	369.469	1.323	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2cn3nc(C)cc3[nH]c2=O)C[C@H]1C	ZINC001106762423	877603059	/nfs/dbraw/zinc/60/30/59/877603059.db2.gz	DVJZKRATPGCETK-UKRRQHHQSA-N	1	0	357.458	1.595	20	30		FDEDRO
CNC(=O)C1(C(=O)N2C[C@@H](C[NH2+]CC#Cc3ccccc3)[C@H](C)C2)CC1	ZINC001106760193	877609012	/nfs/dbraw/zinc/60/90/12/877609012.db2.gz	UROZWVPZUGUQOU-SJLPKXTDSA-N	1	0	353.466	1.248	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cncc(Cl)c2)C[C@H]1C	ZINC001106763461	877619622	/nfs/dbraw/zinc/61/96/22/877619622.db2.gz	IPOBMGBBDGNPCI-UMVBOHGHSA-N	1	0	364.877	1.723	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(C)nc3n[nH]c(C)c32)C[C@H]1C	ZINC001106763773	877622312	/nfs/dbraw/zinc/62/23/12/877622312.db2.gz	SOAXFDKHBJHHFE-CZUORRHYSA-N	1	0	369.469	1.522	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cnnc3)cc2)C[C@H]1C	ZINC001106764964	877631174	/nfs/dbraw/zinc/63/11/74/877631174.db2.gz	HOQOJLGKFPAKQS-SJLPKXTDSA-N	1	0	367.453	1.215	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cnc3n2CCOC3)C[C@H]1C(F)(F)F	ZINC001099265760	877676265	/nfs/dbraw/zinc/67/62/65/877676265.db2.gz	QSGZWKIWMQYGKK-VXGBXAGGSA-N	1	0	358.364	1.582	20	30		FDEDRO
CCN(CC)C(=O)CCCC(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1	ZINC001106769604	877681167	/nfs/dbraw/zinc/68/11/67/877681167.db2.gz	CLPGAAXWQRLHKH-QZTJIDSGSA-N	1	0	365.518	1.359	20	30		FDEDRO
C#CC[C@@H]1CCCN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C1	ZINC000843247628	877908830	/nfs/dbraw/zinc/90/88/30/877908830.db2.gz	BGZIJIKSYXPESX-QGZVFWFLSA-N	1	0	363.502	1.208	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2NC(=O)c3ccccc32)C[C@H]1C	ZINC001106788477	877925190	/nfs/dbraw/zinc/92/51/90/877925190.db2.gz	XQQYBHWJQDHIOK-MDZRGWNJSA-N	1	0	371.481	1.748	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3ccccn3)no2)C[C@H]1C	ZINC001106803251	878050277	/nfs/dbraw/zinc/05/02/77/878050277.db2.gz	XSAWPTQSUAIWDE-HZPDHXFCSA-N	1	0	368.437	1.684	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)CC(C)C)C[C@H]1C	ZINC001106807269	878087298	/nfs/dbraw/zinc/08/72/98/878087298.db2.gz	KJXGSVNZTJFURM-ARFHVFGLSA-N	1	0	366.506	1.365	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@]2(C)C1	ZINC000993441347	878215506	/nfs/dbraw/zinc/21/55/06/878215506.db2.gz	YAVVDWOXLZLWPD-AUSJPIAWSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=CCN1CC[C@@H](N2CCCN(C(=O)CCc3ccccc3)CC2)C1=O	ZINC000282132300	878234808	/nfs/dbraw/zinc/23/48/08/878234808.db2.gz	YXJASDVTHCAWCO-LJQANCHMSA-N	1	0	355.482	1.940	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)CC)C[C@H]1C	ZINC001106822907	878276502	/nfs/dbraw/zinc/27/65/02/878276502.db2.gz	PGVRPWAPCLJGNF-OWCLPIDISA-N	1	0	359.536	1.307	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C(C)(C)CCOC)C[C@H]2C)C1=O	ZINC001106824754	878435099	/nfs/dbraw/zinc/43/50/99/878435099.db2.gz	GHOFTMMDBNRIAH-BRWVUGGUSA-N	1	0	365.518	1.520	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)c2ccccc2OC)CC1	ZINC000671924887	912370673	/nfs/dbraw/zinc/37/06/73/912370673.db2.gz	MDHLFVZLYXFIRN-UHFFFAOYSA-N	1	0	373.497	1.856	20	30		FDEDRO
C#CCC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccco1)CC2	ZINC001128049329	912381059	/nfs/dbraw/zinc/38/10/59/912381059.db2.gz	VXNZVDOFXFQKCS-BZUAXINKSA-N	1	0	367.453	1.609	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(C(N)=O)c2)C1	ZINC001033085820	878817558	/nfs/dbraw/zinc/81/75/58/878817558.db2.gz	BMJLAXCZVJWPEA-OTWHNJEPSA-N	1	0	371.481	1.799	20	30		FDEDRO
C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)N(C)OC	ZINC000763255938	879091991	/nfs/dbraw/zinc/09/19/91/879091991.db2.gz	VPPIRKRENFMMKT-UHFFFAOYSA-N	1	0	353.492	1.604	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1C[C@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O	ZINC000922731090	879132423	/nfs/dbraw/zinc/13/24/23/879132423.db2.gz	LGEFVFZAQYQPLS-HSHRSBJYSA-N	1	0	365.518	1.889	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)NCc1ccc(C#N)c(F)c1)C2	ZINC000922781217	879257317	/nfs/dbraw/zinc/25/73/17/879257317.db2.gz	INCGSBFEQIWUAJ-SOAMZJECSA-N	1	0	374.460	1.976	20	30		FDEDRO
CN1CCN(C(=[NH2+])Nc2cccc([C@H](C#N)C(=O)OC(C)(C)C)n2)CC1	ZINC001168735497	879455594	/nfs/dbraw/zinc/45/55/94/879455594.db2.gz	RKTIMUDEFVJVQE-ZDUSSCGKSA-N	1	0	358.446	1.625	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3ccncc3c2)C[C@H]1C	ZINC001106837931	880219508	/nfs/dbraw/zinc/21/95/08/880219508.db2.gz	CTQYMNWDDMJRRD-DNVCBOLYSA-N	1	0	366.465	1.835	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC2CCC(Nc3ccc(C#N)nn3)CC2)CC[N@@H+]1C	ZINC001060630042	880290509	/nfs/dbraw/zinc/29/05/09/880290509.db2.gz	WXSGFOFOJPPGDB-YQEWQEHLSA-N	1	0	356.474	1.918	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCCN(CC(F)F)C3)[C@H]2C1	ZINC001083177504	912553165	/nfs/dbraw/zinc/55/31/65/912553165.db2.gz	ZUGJRMUZHVPGOD-HRCADAONSA-N	1	0	357.445	1.451	20	30		FDEDRO
C[NH+]1CCC(C(=O)N2CCO[C@@H]3CN(CC#Cc4ccccc4)C[C@@H]32)CC1	ZINC001083182678	912612885	/nfs/dbraw/zinc/61/28/85/912612885.db2.gz	RQNJABANKORMRE-LEWJYISDSA-N	1	0	367.493	1.292	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3CCC)C[C@H]2C)CC1	ZINC000994139024	880904054	/nfs/dbraw/zinc/90/40/54/880904054.db2.gz	HOUBZSHWLABFBR-VBSBHUPXSA-N	1	0	373.541	1.979	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cn([C@@H]3CCOC3)nn2)C[C@H]1C	ZINC001106847005	881024826	/nfs/dbraw/zinc/02/48/26/881024826.db2.gz	MJVIHUXQTRJHHE-MRVWCRGKSA-N	1	0	353.854	1.290	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2csc(COC)n2)C[C@H]1C	ZINC001106851898	881125293	/nfs/dbraw/zinc/12/52/93/881125293.db2.gz	CEQODQXLXVMZFU-HUUCEWRRSA-N	1	0	367.515	1.719	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CCC(=O)NCCCOC)C[C@H]1C	ZINC001106858563	881138718	/nfs/dbraw/zinc/13/87/18/881138718.db2.gz	MOYBCALKYTYVEV-UKRRQHHQSA-N	1	0	359.898	1.356	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C[NH2+]CCn2cccn2)[C@H](C)C1	ZINC001106858881	881140216	/nfs/dbraw/zinc/14/02/16/881140216.db2.gz	SQXNCOACMHZUII-IAGOWNOFSA-N	1	0	369.469	1.841	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)C2=O)cc1	ZINC000272733458	881191383	/nfs/dbraw/zinc/19/13/83/881191383.db2.gz	HHODWJDBMMMCAF-MSOLQXFVSA-N	1	0	367.453	1.543	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C)[C@H](C)C2)nc1	ZINC000994240498	881255956	/nfs/dbraw/zinc/25/59/56/881255956.db2.gz	OJHCFGDFDBOAIF-SUMDDJOVSA-N	1	0	368.481	1.372	20	30		FDEDRO
CC(=NNCC[NH+]1CCCCC1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000915973217	881263083	/nfs/dbraw/zinc/26/30/83/881263083.db2.gz	CXUOXTRXRLUXIH-UHFFFAOYSA-N	1	0	352.504	1.736	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC[NH+]([C@H](C)C(=O)N(C)C)CC1	ZINC001005409306	883257050	/nfs/dbraw/zinc/25/70/50/883257050.db2.gz	ILGPCFBRWQVGQV-OIISXLGYSA-N	1	0	351.491	1.367	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[N@@H+](CCc2cnn(CC)c2)C[C@@H]1n1ccnn1	ZINC001128816203	883730608	/nfs/dbraw/zinc/73/06/08/883730608.db2.gz	CVUFPUKMYRCMEZ-SJORKVTESA-N	1	0	357.462	1.045	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2cnc(C)[nH]2)[C@@H](n2ccnn2)C1	ZINC001128824394	883742795	/nfs/dbraw/zinc/74/27/95/883742795.db2.gz	CPITVQPFVFCNBH-SJORKVTESA-N	1	0	357.462	1.711	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccncc2F)[C@@H](n2ccnn2)C1	ZINC001128855005	883837911	/nfs/dbraw/zinc/83/79/11/883837911.db2.gz	IPJLXTGNHYKRMN-XKQJLSEDSA-N	1	0	358.421	1.822	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](n2ccnn2)C1	ZINC001128883984	883953033	/nfs/dbraw/zinc/95/30/33/883953033.db2.gz	SNGVYYWQXKIBOL-IMJJTQAJSA-N	1	0	356.430	1.389	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cccnc2)[C@@H](n2ccnn2)C1	ZINC001128891984	883971261	/nfs/dbraw/zinc/97/12/61/883971261.db2.gz	XKIZNKJZNQVQLO-JQHSSLGASA-N	1	0	354.458	1.612	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CCn2cncn2)C1	ZINC001034436280	884366970	/nfs/dbraw/zinc/36/69/70/884366970.db2.gz	MIYXOJXJSWYEKF-SQNIBIBYSA-N	1	0	361.490	1.620	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1	ZINC000918412387	884436144	/nfs/dbraw/zinc/43/61/44/884436144.db2.gz	AFXOYONZTOGTHS-SFHVURJKSA-N	1	0	355.438	1.320	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(C#N)s2)CC1	ZINC001034667908	884643443	/nfs/dbraw/zinc/64/34/43/884643443.db2.gz	SXFXIRQZRVAFMR-WSMBLCCSSA-N	1	0	363.483	1.941	20	30		FDEDRO
C=CCOCC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001078971786	884647963	/nfs/dbraw/zinc/64/79/63/884647963.db2.gz	HLOXENXTACSGDN-BRWVUGGUSA-N	1	0	351.491	1.369	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001060720215	884719581	/nfs/dbraw/zinc/71/95/81/884719581.db2.gz	DBCCQFUJRWVDJS-FLXNRXMOSA-N	1	0	365.518	1.445	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)CC1	ZINC000246101320	884799017	/nfs/dbraw/zinc/79/90/17/884799017.db2.gz	BUTMQNBLCNGSPW-UXHICEINSA-N	1	0	367.497	1.375	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3c[nH]nc32)[C@@H](n2ccnn2)C1	ZINC001128993815	884866419	/nfs/dbraw/zinc/86/64/19/884866419.db2.gz	UCNTWWCUIDGXGN-BBWFWOEESA-N	1	0	369.473	1.429	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2OCC[C@H]2C(C)C)[C@@H](n2ccnn2)C1	ZINC001128999062	884957742	/nfs/dbraw/zinc/95/77/42/884957742.db2.gz	OILNIEQWAIMYEC-MHORFTMASA-N	1	0	361.490	1.647	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCCN(C)C2=O)CC1	ZINC001034753506	884964312	/nfs/dbraw/zinc/96/43/12/884964312.db2.gz	ILSYXOMHDOMGGA-TXTZMMAHSA-N	1	0	363.502	1.605	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccc(C#N)s3)C2)O1	ZINC000999494917	912896838	/nfs/dbraw/zinc/89/68/38/912896838.db2.gz	JHVPFXRKABLRRM-JKIFEVAISA-N	1	0	362.499	1.419	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]Cc2ccc(CNC(=O)[C@H]3OCC[C@H]3C)cc2)C1=O	ZINC001034829726	885239650	/nfs/dbraw/zinc/23/96/50/885239650.db2.gz	UAVIPKCJJCHNJE-LZQZEXGQSA-N	1	0	371.481	1.604	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@@H]1O	ZINC001083998566	912943591	/nfs/dbraw/zinc/94/35/91/912943591.db2.gz	CYCVAMSTXCTPRY-QRVBRYPASA-N	1	0	356.466	1.187	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)CC2(C(F)(F)F)CC2)[C@@H](n2ccnn2)C1	ZINC001129043760	885521698	/nfs/dbraw/zinc/52/16/98/885521698.db2.gz	WQQTUTPPKTVPPJ-OLZOCXBDSA-N	1	0	357.380	1.928	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(C(N)=O)c1	ZINC001035056635	885569012	/nfs/dbraw/zinc/56/90/12/885569012.db2.gz	BXYRSNJOLYONCX-KURKYZTESA-N	1	0	357.454	1.457	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(OC)ns1	ZINC001035056923	885569096	/nfs/dbraw/zinc/56/90/96/885569096.db2.gz	GDTIQBCZZNXSJA-YUELXQCFSA-N	1	0	351.472	1.823	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cnnn2C)CC(C)(C)C1	ZINC001089492984	885662894	/nfs/dbraw/zinc/66/28/94/885662894.db2.gz	RWXUNIFZIFIHCV-OIISXLGYSA-N	1	0	361.490	1.513	20	30		FDEDRO
CC1(C)C[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC001089492689	885684379	/nfs/dbraw/zinc/68/43/79/885684379.db2.gz	MSEDPCPBIRDGKY-KURKYZTESA-N	1	0	368.481	1.786	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)CCC(C)(F)F)[C@@H](n2ccnn2)C1	ZINC001129080001	885689234	/nfs/dbraw/zinc/68/92/34/885689234.db2.gz	MNFZSKPDERAJJZ-KGLIPLIRSA-N	1	0	357.405	1.258	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCOC[C@@H]3CCCO3)[C@H](C)C2)nc1	ZINC001106894128	885690566	/nfs/dbraw/zinc/69/05/66/885690566.db2.gz	BHUUFFXRMDQFBI-QRQLOZEOSA-N	1	0	371.481	1.556	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc(Cl)n(C)n2)[C@@H](n2ccnn2)C1	ZINC001129098004	885727250	/nfs/dbraw/zinc/72/72/50/885727250.db2.gz	ANNSPEPDFQAXQW-KGLIPLIRSA-N	1	0	363.853	1.287	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC(C)(C)CO2)[C@@H](n2ccnn2)C1	ZINC001129098327	885730084	/nfs/dbraw/zinc/73/00/84/885730084.db2.gz	HZZHEVPGFNKYCK-BBWFWOEESA-N	1	0	361.490	1.791	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N[C@@H](C)CC)[C@H](C)C2)cn1	ZINC001106894237	885738763	/nfs/dbraw/zinc/73/87/63/885738763.db2.gz	GWCCNFXVFPBDKL-HLLBOEOZSA-N	1	0	356.470	1.275	20	30		FDEDRO
CO[C@@H]1C[N@H+](C[C@H](O)Cc2ccc(F)cc2)C[C@H]1NC(=O)C#CC(C)C	ZINC001212240954	885760297	/nfs/dbraw/zinc/76/02/97/885760297.db2.gz	GPHHJKPJLMPWPD-GUDVDZBRSA-N	1	0	362.445	1.204	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(CC[N@@H+]([C@@H](C)C(N)=O)C2)CC1	ZINC001035236865	885800199	/nfs/dbraw/zinc/80/01/99/885800199.db2.gz	OJABNBTVZKUWJQ-ULQDDVLXSA-N	1	0	363.502	1.546	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC[N@@H+]([C@@H](CC)C(N)=O)C2)CC1	ZINC001035237714	885800950	/nfs/dbraw/zinc/80/09/50/885800950.db2.gz	RRHSDNVDPXFNQX-ULQDDVLXSA-N	1	0	363.502	1.546	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](CCC(C)C)C[C@@H]1n1ccnn1	ZINC001129128192	885824026	/nfs/dbraw/zinc/82/40/26/885824026.db2.gz	UALDEFQVQMBENK-ZIFCJYIRSA-N	1	0	363.506	1.895	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2ccc(C)n2)[C@@H](n2ccnn2)C1	ZINC001129147767	885878325	/nfs/dbraw/zinc/87/83/25/885878325.db2.gz	OVMZDTWIPJSAQA-ZACQAIPSSA-N	1	0	357.462	1.352	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)C1	ZINC000919634885	885962776	/nfs/dbraw/zinc/96/27/76/885962776.db2.gz	LFYGJPBQRZMOLW-IRXDYDNUSA-N	1	0	372.473	1.260	20	30		FDEDRO
C[C@H](NS(=O)(=O)c1ccc(CCC#N)cc1)[C@@H]1CN(C)CCN1C	ZINC000919975292	886460970	/nfs/dbraw/zinc/46/09/70/886460970.db2.gz	VAMGWENZTJMKOW-YOEHRIQHSA-N	1	0	350.488	1.055	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1	ZINC000919965590	886473649	/nfs/dbraw/zinc/47/36/49/886473649.db2.gz	MPSJQHULMZYNBD-HXUWFJFHSA-N	1	0	368.456	1.880	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CN(Cc3cc(C)ncn3)C2)CC1	ZINC001035800605	886482453	/nfs/dbraw/zinc/48/24/53/886482453.db2.gz	IYZIGTDQNFZKOX-MSOLQXFVSA-N	1	0	356.470	1.801	20	30		FDEDRO
C=CCOCC(=O)NC[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1	ZINC001060740875	886669103	/nfs/dbraw/zinc/66/91/03/886669103.db2.gz	YZVXZJCTCQCIDD-XLAORIBOSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2C[N@@H+](CCCCOC)C[C@@H]2n2ccnn2)CC1	ZINC001129228121	886700797	/nfs/dbraw/zinc/70/07/97/886700797.db2.gz	DFWJPXMQNQYNPE-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]2n2ccnn2)CCC1	ZINC001129243052	886796193	/nfs/dbraw/zinc/79/61/93/886796193.db2.gz	GLWBRQPOXOMXIT-BBWFWOEESA-N	1	0	359.474	1.403	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CC(F)(F)C(F)F)[C@@H](n2ccnn2)C1	ZINC001129262505	886977770	/nfs/dbraw/zinc/97/77/70/886977770.db2.gz	RKZKJFKMRFFINF-NEPJUHHUSA-N	1	0	363.359	1.876	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C	ZINC001062240143	886997779	/nfs/dbraw/zinc/99/77/79/886997779.db2.gz	JGLSLIZRLCFENO-TVFCKZIOSA-N	1	0	365.518	1.805	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1	ZINC000374710776	887112437	/nfs/dbraw/zinc/11/24/37/887112437.db2.gz	PCPCPQQCVIYPCE-UHFFFAOYSA-N	1	0	351.385	2.167	20	30		FDEDRO
N#CCOc1ccccc1C(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1	ZINC000920633363	887119054	/nfs/dbraw/zinc/11/90/54/887119054.db2.gz	LQRVOZPMXDSNPV-UHFFFAOYSA-N	1	0	357.410	1.489	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O	ZINC000922953434	887329890	/nfs/dbraw/zinc/32/98/90/887329890.db2.gz	BKAPHMIBNHSEDT-CFIJBQEISA-N	1	0	351.491	1.356	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NCC2C[NH+](Cc3ccc(OCC#N)cc3)C2)C1	ZINC001031679255	887331018	/nfs/dbraw/zinc/33/10/18/887331018.db2.gz	PFYDYXHJLCVKPK-RDTXWAMCSA-N	1	0	370.453	1.052	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000922950564	887346534	/nfs/dbraw/zinc/34/65/34/887346534.db2.gz	NOTDXLFUGKZPSU-KRWDZBQOSA-N	1	0	370.497	1.918	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCC2CN(CC#Cc3ccc(F)cc3)C2)CC[N@@H+]1C	ZINC001031684307	887422664	/nfs/dbraw/zinc/42/26/64/887422664.db2.gz	KIFMCDUMULMRFY-VQTJNVASSA-N	1	0	357.473	1.956	20	30		FDEDRO
CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@H](C)N(CC#N)[C@@H](C)C2)CC1	ZINC000921241721	887575985	/nfs/dbraw/zinc/57/59/85/887575985.db2.gz	GPLLQSHIVYUIHB-IRXDYDNUSA-N	1	0	365.522	1.504	20	30		FDEDRO
C#CCN(C(=O)NC1CN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1	ZINC000921363619	887753232	/nfs/dbraw/zinc/75/32/32/887753232.db2.gz	FVFXFQJFUYKRHK-UHFFFAOYSA-N	1	0	350.463	1.345	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2c(C)cc(C)cc2C)C[C@H]1OC	ZINC001212255174	887859699	/nfs/dbraw/zinc/85/96/99/887859699.db2.gz	GGQNISMWQDKJFO-MISYRCLQSA-N	1	0	358.482	1.966	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)CC1	ZINC000921398903	887880591	/nfs/dbraw/zinc/88/05/91/887880591.db2.gz	YFLOMIVWNZALRD-OAHLLOKOSA-N	1	0	362.424	1.940	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCc2ccc(Cl)cc2)C[C@H]1OC	ZINC001212258518	888083147	/nfs/dbraw/zinc/08/31/47/888083147.db2.gz	VCINJQBBQRCVJH-ZTFGCOKTSA-N	1	0	364.873	1.736	20	30		FDEDRO
COCC1(CC(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@H]2OC)CC1	ZINC001212260901	888110602	/nfs/dbraw/zinc/11/06/02/888110602.db2.gz	OAMCNUJOEPLFTO-QZTJIDSGSA-N	1	0	357.454	1.690	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(Cl)cn2)C[C@H]1C	ZINC001106901406	888132958	/nfs/dbraw/zinc/13/29/58/888132958.db2.gz	COBFBJWXWQEEFP-MGPQQGTHSA-N	1	0	364.877	1.723	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@H]1OC	ZINC001212262664	888169113	/nfs/dbraw/zinc/16/91/13/888169113.db2.gz	VONZCVIXGMLNEG-RTBURBONSA-N	1	0	360.454	1.059	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1	ZINC000938401832	888588409	/nfs/dbraw/zinc/58/84/09/888588409.db2.gz	GLHGLNGKLZDPJE-ULQDDVLXSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC001005997755	888603323	/nfs/dbraw/zinc/60/33/23/888603323.db2.gz	PXEQGPHDEGYWPR-DLBZAZTESA-N	1	0	351.491	1.511	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1	ZINC000999775700	913264182	/nfs/dbraw/zinc/26/41/82/913264182.db2.gz	FQMJPNSQWKNTHD-LJISPDSOSA-N	1	0	373.291	1.527	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1	ZINC000938498511	888728192	/nfs/dbraw/zinc/72/81/92/888728192.db2.gz	KAMSHEWMTNSSMC-ATIWLJMLSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=C(Br)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC000999750942	913286706	/nfs/dbraw/zinc/28/67/06/913286706.db2.gz	MTSVAWQSYVLAIC-DEPYFDJDSA-N	1	0	355.276	1.899	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000938608788	888948274	/nfs/dbraw/zinc/94/82/74/888948274.db2.gz	BDZAVWFSQJOSJW-IXDOHACOSA-N	1	0	357.458	1.290	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1	ZINC000946891372	888969586	/nfs/dbraw/zinc/96/95/86/888969586.db2.gz	DMZQWQNKQUOCJQ-KSZLIROESA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CCN(C(=O)NC[C@@]1(C)COc2ccccc2O1)C1CC[NH+](C)CC1	ZINC000923387884	889096996	/nfs/dbraw/zinc/09/69/96/889096996.db2.gz	GSKBUBCCXDIZNL-FQEVSTJZSA-N	1	0	357.454	1.956	20	30		FDEDRO
C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1	ZINC001089693666	889108721	/nfs/dbraw/zinc/10/87/21/889108721.db2.gz	MTVKDWADOHXBBD-ZACQAIPSSA-N	1	0	365.518	1.805	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CN([C@@H]3CCc4c3cccc4F)C[C@@H]2O)c1	ZINC001083765851	889190099	/nfs/dbraw/zinc/19/00/99/889190099.db2.gz	YDAXYYDIZIPYOK-AQNXPRMDSA-N	1	0	365.408	1.664	20	30		FDEDRO
COc1ccc([C@H]2C[NH2+]CCN2C[C@@H](O)COc2ccc(C#N)cc2)cc1	ZINC000923423959	889201688	/nfs/dbraw/zinc/20/16/88/889201688.db2.gz	TWVCSPDUCCSKGU-WIYYLYMNSA-N	1	0	367.449	1.953	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C)CC1	ZINC000946902542	889265539	/nfs/dbraw/zinc/26/55/39/889265539.db2.gz	XLKVMMULYVTRAO-JQHSSLGASA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)CC1	ZINC000929388046	889266389	/nfs/dbraw/zinc/26/63/89/889266389.db2.gz	UGXMWSXRPBHOKL-UHFFFAOYSA-N	1	0	364.471	1.122	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCN(C)C[C@H]2CNC(=O)OC(C)(C)C)cn1	ZINC000763475827	889292095	/nfs/dbraw/zinc/29/20/95/889292095.db2.gz	HLZCXCAOHBWOJW-MRXNPFEDSA-N	1	0	358.442	1.344	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccnn2CC2CCC2)[C@H](OC)C1	ZINC001212281971	889358766	/nfs/dbraw/zinc/35/87/66/889358766.db2.gz	FPBNUBZGQRUAKL-SJLPKXTDSA-N	1	0	362.474	1.315	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccccc1OC	ZINC001127604673	889502906	/nfs/dbraw/zinc/50/29/06/889502906.db2.gz	IYLYLXOXSTVPTR-ZBFHGGJFSA-N	1	0	361.442	1.321	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC000938910829	889545453	/nfs/dbraw/zinc/54/54/53/889545453.db2.gz	ANCIXFFCDJLRPW-IKGGRYGDSA-N	1	0	361.486	1.123	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)c2ccsc2C#N)C1	ZINC000923566161	889866677	/nfs/dbraw/zinc/86/66/77/889866677.db2.gz	NRAPNRQFKYFIJA-ZDUSSCGKSA-N	1	0	365.455	1.250	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)Cc2nnn(-c3ccc(C)cc3)c2C)C1	ZINC000923583843	889947944	/nfs/dbraw/zinc/94/79/44/889947944.db2.gz	UPDMVSYENMGVIR-KRWDZBQOSA-N	1	0	351.454	1.640	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1OC	ZINC001212297977	889952676	/nfs/dbraw/zinc/95/26/76/889952676.db2.gz	RAVKWFDAYRQBHZ-AKHDSKFASA-N	1	0	366.502	1.600	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN(C(=O)CC)C2)[C@H](OC)C1	ZINC001212308917	890028618	/nfs/dbraw/zinc/02/86/18/890028618.db2.gz	KKAVEGRGOKKIFX-GVDBMIGSSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1CN([C@H](C)C(=O)N(C)C(C)C)C[C@H]1OC	ZINC001212321282	890115918	/nfs/dbraw/zinc/11/59/18/890115918.db2.gz	ZUYSEOREBQGBFG-KBAYOESNSA-N	1	0	365.518	1.826	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1CN(CCn2nc(C)nc2C)C[C@H]1OC	ZINC001212321263	890116122	/nfs/dbraw/zinc/11/61/22/890116122.db2.gz	ZFNPILHDVOMDTH-QZTJIDSGSA-N	1	0	361.490	1.479	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)Cn2nc(C)cc2C(F)F)[C@H](OC)C1	ZINC001212322955	890117879	/nfs/dbraw/zinc/11/78/79/890117879.db2.gz	MTYSHJHPCSMMDE-UKRRQHHQSA-N	1	0	356.417	1.911	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1OC	ZINC001212337345	890322149	/nfs/dbraw/zinc/32/21/49/890322149.db2.gz	JDTDSRRPPYGJCZ-BFHYXJOUSA-N	1	0	367.881	1.360	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(NC(=O)[C@H](CC)[NH+](C)C)CCC1	ZINC001063214109	890337851	/nfs/dbraw/zinc/33/78/51/890337851.db2.gz	BSZGEQRRGWYOLV-PMPSAXMXSA-N	1	0	351.491	1.463	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)c1occc1C[NH+](C)C	ZINC000939594007	890943620	/nfs/dbraw/zinc/94/36/20/890943620.db2.gz	WCRAKBDYDHVVGP-MLGOLLRUSA-N	1	0	369.425	1.431	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000939762978	891216299	/nfs/dbraw/zinc/21/62/99/891216299.db2.gz	ZBBKLZMAFRBPGZ-KSZLIROESA-N	1	0	368.437	1.598	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]cc2C2CC2)C1	ZINC000939772600	891255577	/nfs/dbraw/zinc/25/55/77/891255577.db2.gz	KGNKZGOSWAZNCT-ZMYBRWDISA-N	1	0	368.481	1.566	20	30		FDEDRO
N#Cc1ccccc1C[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1	ZINC001001842268	891416702	/nfs/dbraw/zinc/41/67/02/891416702.db2.gz	MQVAFTOFRVSQOF-SJORKVTESA-N	1	0	368.481	1.788	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](C[C@@H]2CCNC(=O)CC2)CC1	ZINC001001851040	891450440	/nfs/dbraw/zinc/45/04/40/891450440.db2.gz	KEOMDKDSPTYRSA-KSZLIROESA-N	1	0	363.502	1.322	20	30		FDEDRO
C=CCN1CC[C@@H]([NH+]2CCC(CNC(=O)[C@@H]3C[C@H]3c3ccco3)CC2)C1=O	ZINC001001867999	891525263	/nfs/dbraw/zinc/52/52/63/891525263.db2.gz	UHVWRTWNINCUAO-KZNAEPCWSA-N	1	0	371.481	1.998	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCCO4)[C@@H]3C2)cc1	ZINC001084173532	913581072	/nfs/dbraw/zinc/58/10/72/913581072.db2.gz	TVQACRMQEORGMQ-QRQLOZEOSA-N	1	0	355.438	1.801	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(OC)cc2OC)C[C@H]1C	ZINC001106916975	892086657	/nfs/dbraw/zinc/08/66/57/892086657.db2.gz	VAVLHSYNDMGZNP-HZPDHXFCSA-N	1	0	360.454	1.651	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1	ZINC001002201487	892225528	/nfs/dbraw/zinc/22/55/28/892225528.db2.gz	PBKBHUVLASNFIH-LNLFQRSKSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)COCCCCCC)C[C@H]1C	ZINC001106919978	892505040	/nfs/dbraw/zinc/50/50/40/892505040.db2.gz	HQXPROGHDIUEIB-FGTMMUONSA-N	1	0	367.534	1.958	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]CCc2ccnn2C)[C@H](C)C1	ZINC001106922931	892597038	/nfs/dbraw/zinc/59/70/38/892597038.db2.gz	TVQWIFMLGYDLKE-YLJYHZDGSA-N	1	0	364.493	1.871	20	30		FDEDRO
N#CC1(CS(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CCCCC1	ZINC000921907330	892738540	/nfs/dbraw/zinc/73/85/40/892738540.db2.gz	FOPSVINFMFQYAV-INIZCTEOSA-N	1	0	355.504	1.633	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)c2ccccc2C[NH+](C)C)C1	ZINC001002478721	893034101	/nfs/dbraw/zinc/03/41/01/893034101.db2.gz	OWDDTNUOOAYOSK-MOPGFXCFSA-N	1	0	371.481	1.528	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C(F)F)o2)C[C@H]1C	ZINC001106933861	893052268	/nfs/dbraw/zinc/05/22/68/893052268.db2.gz	LDUFGVKHORCNRG-FRRDWIJNSA-N	1	0	367.396	1.653	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCCC)[C@H](C)C2)CCOCC1	ZINC001106931795	893072019	/nfs/dbraw/zinc/07/20/19/893072019.db2.gz	FZROUIMHHVZDJA-IAGOWNOFSA-N	1	0	365.518	1.570	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1	ZINC000670994555	893110655	/nfs/dbraw/zinc/11/06/55/893110655.db2.gz	BRCYBTDGBVAEEM-IBGZPJMESA-N	1	0	373.497	1.991	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc(C)c2C)C[C@H]1C	ZINC001106940095	893120976	/nfs/dbraw/zinc/12/09/76/893120976.db2.gz	AGURBDNEOWKHGX-BPQIPLTHSA-N	1	0	355.482	1.739	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1	ZINC000921954939	893414949	/nfs/dbraw/zinc/41/49/49/893414949.db2.gz	BBTAFLPJFNMECO-OLZOCXBDSA-N	1	0	351.451	1.139	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(C#N)c1	ZINC001002634038	893423150	/nfs/dbraw/zinc/42/31/50/893423150.db2.gz	MAQHTHBMGMHMBV-ZJPYXAASSA-N	1	0	369.469	1.621	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCOc2ccccc2F)C[C@H]1C	ZINC001106944110	893515150	/nfs/dbraw/zinc/51/51/50/893515150.db2.gz	RSAURHXEDHEZNF-IAGOWNOFSA-N	1	0	362.445	1.929	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1	ZINC000941053522	893751895	/nfs/dbraw/zinc/75/18/95/893751895.db2.gz	WLUPLJGAIFXMBS-SQNIBIBYSA-N	1	0	363.502	1.511	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(COC)ccc1OC	ZINC000922022605	894514235	/nfs/dbraw/zinc/51/42/35/894514235.db2.gz	OZCVASNMTHDTRW-UHFFFAOYSA-N	1	0	366.483	1.560	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1C[C@@H](OCC)C12CCOCC2)C1CC[NH+](C)CC1	ZINC000922025178	894532012	/nfs/dbraw/zinc/53/20/12/894532012.db2.gz	QWEZTFFABBJTGT-ZWKOTPCHSA-N	1	0	363.502	1.700	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Oc2cccc(C)c2)C[C@H]1C	ZINC001106957193	894926277	/nfs/dbraw/zinc/92/62/77/894926277.db2.gz	SWZULIVBCXOUDV-FGTMMUONSA-N	1	0	371.481	1.196	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C[NH2+]CC#Cc1ccc(Cl)cc1	ZINC001106957938	895064226	/nfs/dbraw/zinc/06/42/26/895064226.db2.gz	NYPNTBNBBPFWSB-NVXWUHKLSA-N	1	0	371.872	1.667	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C2C[NH+](CC3CC(C)C3)C2)CC1	ZINC000941604387	895367653	/nfs/dbraw/zinc/36/76/53/895367653.db2.gz	YHXDNJVHEZMIMO-WXDAQCLHSA-N	1	0	361.530	1.842	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc3ccccc3[nH]2)C[C@H]1C	ZINC001106961347	895860024	/nfs/dbraw/zinc/86/00/24/895860024.db2.gz	UIFHZXGETSEPKA-HLLBOEOZSA-N	1	0	366.465	1.604	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@H](OC)C2)C1	ZINC000942015819	896141984	/nfs/dbraw/zinc/14/19/84/896141984.db2.gz	ZVXLEOUMWMUFAJ-YLFCFFPRSA-N	1	0	363.502	1.415	20	30		FDEDRO
Cn1cncc1[C@@H]1C[C@H]1C(=O)NCC1CN(Cc2ccc(C#N)c(F)c2)C1	ZINC001031987400	896160862	/nfs/dbraw/zinc/16/08/62/896160862.db2.gz	LZPWJDVOYSVVRX-IAGOWNOFSA-N	1	0	367.428	1.783	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(OCC#N)cc2)C1	ZINC001031987490	896162591	/nfs/dbraw/zinc/16/25/91/896162591.db2.gz	PWDPMRLIJQPHAK-MOPGFXCFSA-N	1	0	355.438	1.728	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@H](OC)C1	ZINC000942132867	896461743	/nfs/dbraw/zinc/46/17/43/896461743.db2.gz	OUKMHXQGZJLIHR-OWCLPIDISA-N	1	0	351.491	1.415	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCO[C@H]3C(C)C)nn2)C1	ZINC000999985440	896515824	/nfs/dbraw/zinc/51/58/24/896515824.db2.gz	CDIOOEQUSSSHSY-SQNIBIBYSA-N	1	0	359.474	1.226	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2)C[C@H]1OC	ZINC001212348822	896609392	/nfs/dbraw/zinc/60/93/92/896609392.db2.gz	BQQPGKJVEHDZQV-BHIYHBOVSA-N	1	0	362.470	1.598	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2)C[C@H]1OC	ZINC001212348823	896610938	/nfs/dbraw/zinc/61/09/38/896610938.db2.gz	BQQPGKJVEHDZQV-QXAKKESOSA-N	1	0	362.470	1.598	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC2(CCOCC2)C1	ZINC001089947523	896810290	/nfs/dbraw/zinc/81/02/90/896810290.db2.gz	IWWCQEAFLXFUOX-WXJALIKYSA-N	1	0	358.482	1.420	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H](Cc3ccccc3)C(N)=O)C2=O)cc1	ZINC000273468501	896819346	/nfs/dbraw/zinc/81/93/46/896819346.db2.gz	PPONBPIPHWAORV-OALUTQOASA-N	1	0	362.433	1.740	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3ccccc3C#N)C[C@H]2O)CC1	ZINC001077928041	896927065	/nfs/dbraw/zinc/92/70/65/896927065.db2.gz	SPJIEBJAEDMIBX-WOJBJXKFSA-N	1	0	370.497	1.340	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2cccc(-n3cnnn3)c2)C[C@H]1C	ZINC001106970549	897186063	/nfs/dbraw/zinc/18/60/63/897186063.db2.gz	HDUCRCFVRYVUBW-NVXWUHKLSA-N	1	0	354.458	1.926	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCF)CC2(CCOCC2)C1	ZINC001089956521	897223714	/nfs/dbraw/zinc/22/37/14/897223714.db2.gz	BTTGHVOYHLBDHR-BBWFWOEESA-N	1	0	354.466	1.924	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC001077971231	897240384	/nfs/dbraw/zinc/24/03/84/897240384.db2.gz	SASKNGCVWGFRMA-TXTZMMAHSA-N	1	0	365.518	1.709	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCc3ccc(Cl)cc3)C[C@H]2O)nc1	ZINC001078029978	897663565	/nfs/dbraw/zinc/66/35/65/897663565.db2.gz	BCYPNJLUCGADNL-RTBURBONSA-N	1	0	369.852	1.734	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2OCCO[C@H]2C)C1	ZINC000995269633	897673407	/nfs/dbraw/zinc/67/34/07/897673407.db2.gz	YSMFNUYOZDAEJO-SXLOBPIMSA-N	1	0	371.481	1.559	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2scnc2Cl)C[C@H]1C	ZINC001106988666	897720361	/nfs/dbraw/zinc/72/03/61/897720361.db2.gz	KDCNSXOKRCWVSC-GRYCIOLGSA-N	1	0	370.906	1.785	20	30		FDEDRO
CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000942752699	897737333	/nfs/dbraw/zinc/73/73/33/897737333.db2.gz	VEMTXNFRDSMTLH-KBRIMQKVSA-N	1	0	357.458	1.290	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CNC(=O)c3c[nH]c(C#N)c3)CCC[C@@H]12	ZINC000995274441	897741585	/nfs/dbraw/zinc/74/15/85/897741585.db2.gz	NZTVPUZTRUNXBZ-MBOZVWFJSA-N	1	0	369.469	1.482	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc3nonc3c2)C1	ZINC001032047184	897786418	/nfs/dbraw/zinc/78/64/18/897786418.db2.gz	DBVQCPCTNCZUHI-YJBOKZPZSA-N	1	0	356.426	1.752	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)[N@H+](CC)C[C@H]2C)c1	ZINC000765925704	898002370	/nfs/dbraw/zinc/00/23/70/898002370.db2.gz	PMYUCVDGFPMXSV-HUUCEWRRSA-N	1	0	363.483	1.153	20	30		FDEDRO
C#Cc1cncc(C(=O)N(CC)[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC000942961520	898153229	/nfs/dbraw/zinc/15/32/29/898153229.db2.gz	MKGYENYTBKEXGQ-AYOQOUSVSA-N	1	0	368.481	1.466	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21	ZINC001084372302	914239492	/nfs/dbraw/zinc/23/94/92/914239492.db2.gz	ORCXAPMPTOVLFU-OWCLPIDISA-N	1	0	366.893	1.555	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@]2(CNC(=O)c3ccc4c[nH+]cn4c3)CCC[C@@H]12	ZINC000995339701	898675833	/nfs/dbraw/zinc/67/58/33/898675833.db2.gz	DGPNGLZHIQECAJ-JNAXZKDPSA-N	1	0	365.437	1.995	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2ocnc2C)C1	ZINC001078402726	898735536	/nfs/dbraw/zinc/73/55/36/898735536.db2.gz	WSTTYCBRYOYRRP-ZACQAIPSSA-N	1	0	363.458	1.671	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC2CC(F)(F)C2)C1	ZINC001078474013	898809453	/nfs/dbraw/zinc/80/94/53/898809453.db2.gz	RAGAXLLQHGSNRR-XHSDSOJGSA-N	1	0	358.429	1.830	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CC2CCOCC2)C1	ZINC001078474099	898809609	/nfs/dbraw/zinc/80/96/09/898809609.db2.gz	TYJOJDPBQNZTAG-KURKYZTESA-N	1	0	352.475	1.211	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)C2CC[NH+](C)CC2)C1	ZINC000943546592	898999159	/nfs/dbraw/zinc/99/91/59/898999159.db2.gz	FPNVOJDUJGJIPO-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000656191563	899010850	/nfs/dbraw/zinc/01/08/50/899010850.db2.gz	AZJHDJHERBHLOU-KSZLIROESA-N	1	0	350.507	1.530	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2ccc3ccccc32)C[C@H]1C	ZINC001107000890	899056919	/nfs/dbraw/zinc/05/69/19/899056919.db2.gz	CHYKBZVHFICIIB-SJLPKXTDSA-N	1	0	366.465	1.075	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C3)nc1	ZINC001001697668	899196208	/nfs/dbraw/zinc/19/62/08/899196208.db2.gz	GOJNFXDBCQUWKF-BGTYHANMSA-N	1	0	352.438	1.019	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1	ZINC000943740080	899327611	/nfs/dbraw/zinc/32/76/11/899327611.db2.gz	LDHAUCBZAMEXCT-TXTZMMAHSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)NC(=O)c2ccco2)C[C@H]1C	ZINC001107008327	899438735	/nfs/dbraw/zinc/43/87/35/899438735.db2.gz	GYPNBRSUMCPXKW-KWCYVHTRSA-N	1	0	353.850	1.835	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)ccc1Br	ZINC001238099300	899657737	/nfs/dbraw/zinc/65/77/37/899657737.db2.gz	UAFFZMMSJTYNPC-LLVKDONJSA-N	1	0	358.261	1.741	20	30		FDEDRO
C[C@@H]1CN(C(=O)CNC(=O)C2CCC2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001107031004	899669629	/nfs/dbraw/zinc/66/96/29/899669629.db2.gz	GMVQDRPJCDQECP-DNVCBOLYSA-N	1	0	368.481	1.659	20	30		FDEDRO
C[C@@H]1CN(C(=O)CNC(=O)C2CCC2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001107031163	899675986	/nfs/dbraw/zinc/67/59/86/899675986.db2.gz	KXAOKQYSPMAKSL-DNVCBOLYSA-N	1	0	368.481	1.659	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC000944052234	899772320	/nfs/dbraw/zinc/77/23/20/899772320.db2.gz	DLAQNALAIWMQEL-HLLBOEOZSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1	ZINC000944134436	899906278	/nfs/dbraw/zinc/90/62/78/899906278.db2.gz	QXGREOMINOYPPV-KURKYZTESA-N	1	0	368.437	1.646	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2	ZINC000944147387	899921812	/nfs/dbraw/zinc/92/18/12/899921812.db2.gz	XAVKGUZQFBCCEB-ZACQAIPSSA-N	1	0	361.486	1.313	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC(C2CC2)C2CC2)C[C@H]1C	ZINC001107042212	900055103	/nfs/dbraw/zinc/05/51/03/900055103.db2.gz	AMIOGDFHQFDXIU-RVKKMQEKSA-N	1	0	359.514	1.635	20	30		FDEDRO
CC[C@]1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)CCNC1=O	ZINC001084422463	914416599	/nfs/dbraw/zinc/41/65/99/914416599.db2.gz	ZQZNFOATJSSUCB-OPYAIIAOSA-N	1	0	366.465	1.507	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC3(C2)CCN(C(=O)C#CC2CC2)CC3)CC[N@@H+]1C	ZINC000944383970	900225026	/nfs/dbraw/zinc/22/50/26/900225026.db2.gz	UWKQVGRKLHIIBV-SJLPKXTDSA-N	1	0	357.498	1.581	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCCCOCC)C[C@H]1C	ZINC001107057359	900249938	/nfs/dbraw/zinc/24/99/38/900249938.db2.gz	ZCQRRCHTUPDKEW-IAGOWNOFSA-N	1	0	351.491	1.017	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnc(CC)s2)C[C@H]1C	ZINC001107060546	900362660	/nfs/dbraw/zinc/36/26/60/900362660.db2.gz	GMGPINZHBYFUFW-MGPQQGTHSA-N	1	0	362.499	1.141	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]Cc2ncc(Cl)n2C)[C@H](C)C1	ZINC001107063521	900449284	/nfs/dbraw/zinc/44/92/84/900449284.db2.gz	REWVMQXVUWPAMK-ZIAGYGMSSA-N	1	0	354.882	1.850	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CCOC[C@H]2CCCO2)[C@H](C)C1	ZINC001107065209	900454961	/nfs/dbraw/zinc/45/49/61/900454961.db2.gz	JSJFRRVVBNCDDX-KZNAEPCWSA-N	1	0	354.491	1.459	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)OCCC(C)C)C[C@H]1C	ZINC001107065456	900455138	/nfs/dbraw/zinc/45/51/38/900455138.db2.gz	OVOBYPUOQMMXCK-IXDOHACOSA-N	1	0	353.507	1.424	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)CCOCCOC)C[C@H]1C	ZINC001107067060	900464754	/nfs/dbraw/zinc/46/47/54/900464754.db2.gz	VDURELZCCFCMMT-TZMCWYRMSA-N	1	0	363.296	1.632	20	30		FDEDRO
Cc1nonc1C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccc(F)cc2)[C@H](C)C1	ZINC001107084074	900673353	/nfs/dbraw/zinc/67/33/53/900673353.db2.gz	ZAFIYLZTPJAMJF-CZUORRHYSA-N	1	0	356.401	1.867	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1(CNC(=O)C2CC[NH+](C)CC2)CCC1	ZINC001063518193	900965959	/nfs/dbraw/zinc/96/59/59/900965959.db2.gz	ARAWJYDOTOVMFZ-SJORKVTESA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)c2cccnc2)[C@@H](n2ccnn2)C1	ZINC001129300743	900977971	/nfs/dbraw/zinc/97/79/71/900977971.db2.gz	FWRRYUSYPRCRTD-JQHSSLGASA-N	1	0	354.458	1.785	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)c2cccnc2)[C@@H](n2ccnn2)C1	ZINC001129300744	900978125	/nfs/dbraw/zinc/97/81/25/900978125.db2.gz	FWRRYUSYPRCRTD-NXHRZFHOSA-N	1	0	354.458	1.785	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cscn2)[C@@H](n2ccnn2)C1	ZINC001129307911	901102817	/nfs/dbraw/zinc/10/28/17/901102817.db2.gz	TYIQDFMLJGZBGF-IMJJTQAJSA-N	1	0	360.487	1.674	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3n(c2)CCCC3)C[C@H]1C	ZINC001107102204	901123713	/nfs/dbraw/zinc/12/37/13/901123713.db2.gz	MIYVSGZBAYODJI-NVXWUHKLSA-N	1	0	358.486	1.424	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CCNc2ccc(C#N)nn2)CC[N@@H+]1C	ZINC001063852935	901167840	/nfs/dbraw/zinc/16/78/40/901167840.db2.gz	LLAKCUAYWDPUGL-DJIMGWMZSA-N	1	0	356.474	1.872	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NC(=O)CCCC[NH+](C)C)CCC1	ZINC001064583615	901430765	/nfs/dbraw/zinc/43/07/65/901430765.db2.gz	GYOYUHKWDFUWIL-CVEARBPZSA-N	1	0	351.491	1.465	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CCN(c4cnc(C#N)cn4)C3)C2)CC[N@@H+]1C	ZINC001064650372	901521167	/nfs/dbraw/zinc/52/11/67/901521167.db2.gz	WTENIVXJADBEIX-QKLQHJQFSA-N	1	0	368.485	1.507	20	30		FDEDRO
C[NH+]1CCN(c2cccc(-c3noc(C4(C#N)CCOCC4)n3)n2)CC1	ZINC000350109044	901525169	/nfs/dbraw/zinc/52/51/69/901525169.db2.gz	AQDOWPOSLKOKKQ-UHFFFAOYSA-N	1	0	354.414	1.455	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CC[C@H]2CN(c3ncc(C#N)cc3Cl)C[C@H]21	ZINC001090315356	901632603	/nfs/dbraw/zinc/63/26/03/901632603.db2.gz	REMMVCVRHVSPAD-GOEBONIOSA-N	1	0	361.877	1.986	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2CN(c3nccnc3C#N)C[C@H]21	ZINC001090341250	901758241	/nfs/dbraw/zinc/75/82/41/901758241.db2.gz	VGPRYFIROPELKS-OFQRWUPVSA-N	1	0	360.437	1.065	20	30		FDEDRO
C[NH+]=C(NCc1ccc(-n2ccnc2)c(F)c1)N[C@H]1CCN(C2CC2)C1	ZINC000083167034	901916541	/nfs/dbraw/zinc/91/65/41/901916541.db2.gz	SOFONAWOIASFDM-HNNXBMFYSA-N	1	0	356.449	1.913	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cc(C)n(C)n2)C1	ZINC001079127514	901929962	/nfs/dbraw/zinc/92/99/62/901929962.db2.gz	TWRQDLHWDWONOU-WOJBJXKFSA-N	1	0	368.481	1.992	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnsn2)C1	ZINC001079128044	901931761	/nfs/dbraw/zinc/93/17/61/901931761.db2.gz	HDMJQLBOUWJFIW-IAGOWNOFSA-N	1	0	358.467	1.802	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CCCO)C[C@H]1O	ZINC001079143719	901953100	/nfs/dbraw/zinc/95/31/00/901953100.db2.gz	KDCDJXKKVSWCDH-WTGUMLROSA-N	1	0	374.481	1.034	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cn(CC)nn2)C1	ZINC001079146164	901962304	/nfs/dbraw/zinc/96/23/04/901962304.db2.gz	WRAQUKUECMBIOT-RTBURBONSA-N	1	0	367.453	1.009	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)CC[C@H]1c1ccc(F)cc1	ZINC001079149700	901980661	/nfs/dbraw/zinc/98/06/61/901980661.db2.gz	GHFPWPBXNJJSTH-OTWHNJEPSA-N	1	0	359.445	1.064	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)CC[C@H]1c1ccc(F)cc1	ZINC001079153513	901989928	/nfs/dbraw/zinc/98/99/28/901989928.db2.gz	LIBWPCORZQGGCX-FUHWJXTLSA-N	1	0	370.428	1.693	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnn(C)c2N)C1	ZINC001079133634	901993855	/nfs/dbraw/zinc/99/38/55/901993855.db2.gz	RYROVXBUGUYWPM-QZTJIDSGSA-N	1	0	369.469	1.266	20	30		FDEDRO
C#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[N@H+]2CCC)C1	ZINC001079135656	902001183	/nfs/dbraw/zinc/00/11/83/902001183.db2.gz	FRPMWMHKHMNGKK-PWRODBHTSA-N	1	0	369.509	1.568	20	30		FDEDRO
C#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2onc(C)c2C)C1	ZINC001079137929	902013790	/nfs/dbraw/zinc/01/37/90/902013790.db2.gz	COIUOGPQLIOGLE-QZTJIDSGSA-N	1	0	353.422	1.612	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2c[nH]nc2C)C1	ZINC001079140325	902026356	/nfs/dbraw/zinc/02/63/56/902026356.db2.gz	BWPKDJRXOLBNCY-RTBURBONSA-N	1	0	352.438	1.429	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCN(C)C2=O)C1	ZINC001079141799	902035165	/nfs/dbraw/zinc/03/51/65/902035165.db2.gz	ZCFKXMNRNFUMTF-IPMKNSEASA-N	1	0	371.481	1.115	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCN(C)C2=O)CC[C@H]1c1ccc(F)cc1	ZINC001079154522	902068900	/nfs/dbraw/zinc/06/89/00/902068900.db2.gz	HQOHLCPBBWZELG-YTQUADARSA-N	1	0	371.456	1.601	20	30		FDEDRO
N#CCN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1c1ccc(F)cc1	ZINC001079161109	902085142	/nfs/dbraw/zinc/08/51/42/902085142.db2.gz	FJIHSJRNOIURGS-ZWKOTPCHSA-N	1	0	356.445	1.719	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCN(C(C)=O)C2)CC[C@H]1c1ccc(F)cc1	ZINC001079161061	902085597	/nfs/dbraw/zinc/08/55/97/902085597.db2.gz	CYMPVUILXPYZTI-YSIASYRMSA-N	1	0	371.456	1.601	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(CC)nn2C)C[C@H]1c1cccc(F)c1	ZINC001079204964	902109537	/nfs/dbraw/zinc/10/95/37/902109537.db2.gz	VVJKYTNIEYACTO-ZWKOTPCHSA-N	1	0	354.429	1.953	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCN(C(C)=O)C2)C[C@H]1c1cccc(F)c1	ZINC001079207954	902114599	/nfs/dbraw/zinc/11/45/99/902114599.db2.gz	AUZQKAADRIPCMV-YTQUADARSA-N	1	0	359.445	1.764	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@H]4CCNC4=O)[C@@H]3C2)cc1	ZINC001084402491	914595700	/nfs/dbraw/zinc/59/57/00/914595700.db2.gz	OUHPNXKAFYLKEY-KZNAEPCWSA-N	1	0	352.438	1.117	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C)S(C)(=O)=O)C[C@H]1c1cccc(F)c1	ZINC001079189607	902141416	/nfs/dbraw/zinc/14/14/16/902141416.db2.gz	UGWILVXFZZVMPK-RRQGHBQHSA-N	1	0	368.474	1.719	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H]1c1cccc(F)c1	ZINC001079190394	902144670	/nfs/dbraw/zinc/14/46/70/902144670.db2.gz	QGAFKFVJLXBWHV-FUHWJXTLSA-N	1	0	352.413	1.869	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1c1cccc(F)c1	ZINC001079190476	902145925	/nfs/dbraw/zinc/14/59/25/902145925.db2.gz	UPAJJYLGSNNTRC-BHYGNILZSA-N	1	0	366.458	1.330	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3c(C)ccn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079239401	902185549	/nfs/dbraw/zinc/18/55/49/902185549.db2.gz	QTBABCRAHDOIHE-ZWKOTPCHSA-N	1	0	355.482	1.910	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3ccc(C)nn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079241454	902193354	/nfs/dbraw/zinc/19/33/54/902193354.db2.gz	XZAHCVXPOMAQTP-FUHWJXTLSA-N	1	0	354.454	1.361	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CN(C(=O)c3cnccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079220137	902217899	/nfs/dbraw/zinc/21/78/99/902217899.db2.gz	UCKFFPNJMQGLCA-FUHWJXTLSA-N	1	0	356.470	1.996	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3COCCO3)[C@@H]3COC[C@@H]32)CC1	ZINC001079226349	902238665	/nfs/dbraw/zinc/23/86/65/902238665.db2.gz	XKJUDHQJTVLILM-RCCFBDPRSA-N	1	0	364.486	1.307	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3cc4n(n3)CCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079245055	902252109	/nfs/dbraw/zinc/25/21/09/902252109.db2.gz	VCPPHRFVZQGCRJ-PKOBYXMFSA-N	1	0	370.497	1.958	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ccnn3CCC)[C@@H]3COC[C@@H]32)CC1	ZINC001079244951	902252294	/nfs/dbraw/zinc/25/22/94/902252294.db2.gz	ODQSBGYBHLUABO-FUHWJXTLSA-N	1	0	356.470	1.479	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)C[C@@H]3CCC(=O)NC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079244992	902252740	/nfs/dbraw/zinc/25/27/40/902252740.db2.gz	QUNRZLPYKAWXLK-YESZJQIVSA-N	1	0	361.486	1.028	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cncc(COC)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079245581	902254071	/nfs/dbraw/zinc/25/40/71/902254071.db2.gz	AURSROYSGDOOQE-RBUKOAKNSA-N	1	0	371.481	1.967	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3nc4c(s3)CCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079251202	902272340	/nfs/dbraw/zinc/27/23/40/902272340.db2.gz	LEYFVLRTOJRVRP-GOEBONIOSA-N	1	0	371.506	1.818	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3coc(OC)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079254031	902277519	/nfs/dbraw/zinc/27/75/19/902277519.db2.gz	JNZPVDPGXCWYHD-GOEBONIOSA-N	1	0	359.426	1.260	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cccc4cn[nH]c43)[C@@H]3COC[C@@H]32)CC1	ZINC001079254472	902279425	/nfs/dbraw/zinc/27/94/25/902279425.db2.gz	DXFOQKMDDDCHDU-ZWKOTPCHSA-N	1	0	364.449	1.749	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCc4cccnc43)[C@@H]3COC[C@@H]32)CC1	ZINC001079257196	902289216	/nfs/dbraw/zinc/28/92/16/902289216.db2.gz	ZGPDGBGQEWEHKW-CEXWTWQISA-N	1	0	365.477	1.684	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)Cc3ccnc(OC)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079259847	902296189	/nfs/dbraw/zinc/29/61/89/902296189.db2.gz	RDQRYHLJJMOJLM-ZWKOTPCHSA-N	1	0	371.481	1.758	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3noc4c3CCCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079263246	902303400	/nfs/dbraw/zinc/30/34/00/902303400.db2.gz	PVWQHXIKIPHQLB-DLBZAZTESA-N	1	0	369.465	1.740	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)CCc3cn(C)nc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079263620	902306536	/nfs/dbraw/zinc/30/65/36/902306536.db2.gz	DDNZFMPKADPLDQ-RBUKOAKNSA-N	1	0	370.497	1.234	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)COc3cccnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079265531	902312528	/nfs/dbraw/zinc/31/25/28/902312528.db2.gz	NLIRPYVLLDVJQT-RBUKOAKNSA-N	1	0	369.465	1.423	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@H](C)Cc3cnn(C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269158	902324782	/nfs/dbraw/zinc/32/47/82/902324782.db2.gz	JPPQZTVFTUBDMZ-NZSAHSFTSA-N	1	0	370.497	1.171	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cnc(OC)nc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269410	902325916	/nfs/dbraw/zinc/32/59/16/902325916.db2.gz	WSRPMYXUFYCISH-DLBZAZTESA-N	1	0	370.453	1.062	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3ccc(OC)nn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269417	902325944	/nfs/dbraw/zinc/32/59/44/902325944.db2.gz	WYNHYASOFVIYDM-DOTOQJQBSA-N	1	0	370.453	1.062	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3conc3COC)[C@@H]3COC[C@@H]32)CC1	ZINC001079270228	902328107	/nfs/dbraw/zinc/32/81/07/902328107.db2.gz	IFVMLIXWMKDQQZ-DOTOQJQBSA-N	1	0	359.426	1.007	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCc4n[nH]cc4C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079270230	902328663	/nfs/dbraw/zinc/32/86/63/902328663.db2.gz	ILPBLBYLNSXXTH-HHXXYDBFSA-N	1	0	370.497	1.640	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3cccc(C#N)c3)C(C)(C)C2)C1	ZINC000995827648	902334759	/nfs/dbraw/zinc/33/47/59/902334759.db2.gz	APMXQAUZSUTVRS-ZTFGCOKTSA-N	1	0	368.481	1.800	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3ccc4n[nH]nc4c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079272649	902336057	/nfs/dbraw/zinc/33/60/57/902336057.db2.gz	QYKYMQWPGKZQAF-MAUKXSAKSA-N	1	0	367.453	1.697	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1c1ccccc1F	ZINC001079301773	902349651	/nfs/dbraw/zinc/34/96/51/902349651.db2.gz	HTVNOMSBIWLJTE-DOTOQJQBSA-N	1	0	360.433	1.311	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(=O)[nH]c2)C[C@H]1c1ccccc1F	ZINC001079302991	902353879	/nfs/dbraw/zinc/35/38/79/902353879.db2.gz	UZNONNQLYWCGRI-FUHWJXTLSA-N	1	0	353.397	1.686	20	30		FDEDRO
CC1(C)CN(C(=O)[C@]23C[C@H]2COC3)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC000995834042	902361366	/nfs/dbraw/zinc/36/13/66/902361366.db2.gz	PVFZSSDJVHDBQS-CDXJDZJCSA-N	1	0	369.465	1.952	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc3n[nH]nc3c2)C[C@H]1c1ccccc1F	ZINC001079298825	902406325	/nfs/dbraw/zinc/40/63/25/902406325.db2.gz	IPIPABYPJVQSPC-WMLDXEAASA-N	1	0	364.384	1.323	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3n[nH]nc3C2)C[C@H]1c1ccccc1F	ZINC001079318641	902418772	/nfs/dbraw/zinc/41/87/72/902418772.db2.gz	QDFHACQSCSSBLK-FRIZHTMISA-N	1	0	367.428	1.266	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)nc2)C[C@H]1c1ccccc1F	ZINC001079324160	902428669	/nfs/dbraw/zinc/42/86/69/902428669.db2.gz	DRCIEGVXWDRSMY-MAUKXSAKSA-N	1	0	368.412	1.703	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1c1ccccc1F	ZINC001079310753	902446303	/nfs/dbraw/zinc/44/63/03/902446303.db2.gz	ICQMQVSJYOGNNO-FUHWJXTLSA-N	1	0	357.433	1.657	20	30		FDEDRO
Cc1c(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]2C)cnn1C	ZINC001079427096	902548126	/nfs/dbraw/zinc/54/81/26/902548126.db2.gz	JGCMYBXWMIMTDG-AUUYWEPGSA-N	1	0	367.453	1.881	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC001079588537	902844022	/nfs/dbraw/zinc/84/40/22/902844022.db2.gz	INLCNUIQRGHGCK-SJKOYZFVSA-N	1	0	363.425	1.418	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncccc1C)C2	ZINC000996018405	902946251	/nfs/dbraw/zinc/94/62/51/902946251.db2.gz	BWLNRKLDGTVSSN-OWSLCNJRSA-N	1	0	366.465	1.349	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001079690251	903057496	/nfs/dbraw/zinc/05/74/96/903057496.db2.gz	SVELIATVONRNRR-FRQCXROJSA-N	1	0	351.491	1.103	20	30		FDEDRO
C[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001079710622	903122195	/nfs/dbraw/zinc/12/21/95/903122195.db2.gz	PWAJZSCASZSFQO-JRGCBEDISA-N	1	0	351.494	1.816	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1C	ZINC001079720174	903136360	/nfs/dbraw/zinc/13/63/60/903136360.db2.gz	ZUVZIBRWEVXUHJ-DDBAPUKQSA-N	1	0	359.470	1.303	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2coc(C)n2)C3)CC1	ZINC000996155663	903239709	/nfs/dbraw/zinc/23/97/09/903239709.db2.gz	PYWZAHNEXBMQCM-RYRKJORJSA-N	1	0	370.453	1.190	20	30		FDEDRO
C=CCC[C@H](C)[NH+]1CC(n2cc(CNC(=O)[C@H]3OCC[C@H]3CC)nn2)C1	ZINC001107180199	903631151	/nfs/dbraw/zinc/63/11/51/903631151.db2.gz	GNOGWNZRLWMWKH-DAYGRLMNSA-N	1	0	361.490	1.921	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]([NH2+]CC(=O)N2CCC2)C(C)(C)C1	ZINC000996393192	903838231	/nfs/dbraw/zinc/83/82/31/903838231.db2.gz	IZALUOHDQXBQEX-BQFCYCMXSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N	ZINC000764214780	904027963	/nfs/dbraw/zinc/02/79/63/904027963.db2.gz	FVCCBWXDPVQTCV-UHFFFAOYSA-N	1	0	370.432	1.632	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1	ZINC000764208945	904042547	/nfs/dbraw/zinc/04/25/47/904042547.db2.gz	OYAHTBCJPRAWHP-QGZVFWFLSA-N	1	0	351.878	1.947	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2	ZINC000996567384	904215547	/nfs/dbraw/zinc/21/55/47/904215547.db2.gz	GUPBINYXFDPNOK-QSUVVDIXSA-N	1	0	361.486	1.312	20	30		FDEDRO
CC(=O)N[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccc(C#N)cc1)CC2	ZINC001107268089	904236810	/nfs/dbraw/zinc/23/68/10/904236810.db2.gz	NXTHTBNBHFPLSR-QFIXIFRTSA-N	1	0	368.481	1.944	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(Cl)c[nH]3)CCC[C@@H]12	ZINC001107276132	904265525	/nfs/dbraw/zinc/26/55/25/904265525.db2.gz	ZWPCEXIYZKTFMX-CRAIPNDOSA-N	1	0	364.877	1.945	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)CNC(N)=O)CCC[C@@H]23)s1	ZINC001107277379	904268807	/nfs/dbraw/zinc/26/88/07/904268807.db2.gz	RNELWTLFNJTCLS-RHSMWYFYSA-N	1	0	361.471	1.149	20	30		FDEDRO
CC(C)N(C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CSCC#N)CCC[C@@H]12	ZINC001107289603	904310647	/nfs/dbraw/zinc/31/06/47/904310647.db2.gz	GVWRQJZRHKGOIW-CRAIPNDOSA-N	1	0	366.531	1.471	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccc(C(N)=O)cc1)CC2	ZINC001107330850	904462959	/nfs/dbraw/zinc/46/29/59/904462959.db2.gz	QIXJXFTZGTXGBY-WIYYLYMNSA-N	1	0	371.481	1.849	20	30		FDEDRO
C=CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@@H]1CCS(=O)(=O)C1)CC2	ZINC001107327191	904483571	/nfs/dbraw/zinc/48/35/71/904483571.db2.gz	SHRVALLOLDRBSL-LZLYRXPVSA-N	1	0	354.516	1.748	20	30		FDEDRO
COc1coc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@H](C)C#N)CCC[C@@H]23)cc1=O	ZINC001107338927	904515644	/nfs/dbraw/zinc/51/56/44/904515644.db2.gz	ZEGADFKRTBBGIF-OMWUSAIZSA-N	1	0	359.426	1.669	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CO[C@H](C)CC)CCC[C@@H]12	ZINC001107363634	904562610	/nfs/dbraw/zinc/56/26/10/904562610.db2.gz	KGGPKKDFNLORPV-GPMSIDNRSA-N	1	0	351.491	1.465	20	30		FDEDRO
CCCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH]c(C#N)c3)CCC[C@@H]12	ZINC001107366931	904576333	/nfs/dbraw/zinc/57/63/33/904576333.db2.gz	ZPWSAWWDBHEHLY-VQIMIIECSA-N	1	0	357.458	1.387	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(C)CC)CC2	ZINC001107377679	904617700	/nfs/dbraw/zinc/61/77/00/904617700.db2.gz	ZODFLTPTQWWAAP-AYOQOUSVSA-N	1	0	351.491	1.153	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cc(C)n(C)n1)CC2	ZINC001107381703	904651948	/nfs/dbraw/zinc/65/19/48/904651948.db2.gz	QNVYKZRALSBDKF-MISYRCLQSA-N	1	0	360.502	1.916	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC#CCOC)CC2	ZINC001107410486	904740910	/nfs/dbraw/zinc/74/09/10/904740910.db2.gz	GCZBAGISFJJFQK-RCLSDMTESA-N	1	0	360.498	1.978	20	30		FDEDRO
C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cn(C)nc1C)CC2	ZINC001107404995	904748724	/nfs/dbraw/zinc/74/87/24/904748724.db2.gz	ZZLFRTIKURGEMT-UYAOXDASSA-N	1	0	358.486	1.629	20	30		FDEDRO
C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCCCC)CC2	ZINC001107404744	904749694	/nfs/dbraw/zinc/74/96/94/904749694.db2.gz	LKVDAVPRBBYLLZ-YLJYHZDGSA-N	1	0	363.502	1.303	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)CC3(CS(C)(=O)=O)CC3)CCC[C@@H]12	ZINC001107405283	904753660	/nfs/dbraw/zinc/75/36/60/904753660.db2.gz	LICMYDJGMPJDEL-CRAIPNDOSA-N	1	0	354.516	1.748	20	30		FDEDRO
C=CCC(CC=C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107417879	904790163	/nfs/dbraw/zinc/79/01/63/904790163.db2.gz	SAJGHFCYDKTDML-YLJYHZDGSA-N	1	0	358.486	1.755	20	30		FDEDRO
Cc1cc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2C)n(C)n1	ZINC001080122796	904800344	/nfs/dbraw/zinc/80/03/44/904800344.db2.gz	TVSKRCRSYHWHOA-AUUYWEPGSA-N	1	0	351.454	1.779	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)NS(=O)(=O)CC)CCC[C@@H]12	ZINC001107413350	904814888	/nfs/dbraw/zinc/81/48/88/904814888.db2.gz	BNVNBFQNOWSAJX-BFYDXBDKSA-N	1	0	357.520	1.251	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)c3ccncc3)CCC[C@@H]12	ZINC001107415157	904824840	/nfs/dbraw/zinc/82/48/40/904824840.db2.gz	ZCHLVQCHELWPJQ-YLJYHZDGSA-N	1	0	354.454	1.196	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C(=O)C3CC3)CCC[C@@H]12	ZINC001107426409	904848160	/nfs/dbraw/zinc/84/81/60/904848160.db2.gz	NQMCYZSUASIYAI-YLJYHZDGSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](NC(=O)c2csc([C@H]3CCCO3)n2)[C@H](OC)C1	ZINC001081670464	904915601	/nfs/dbraw/zinc/91/56/01/904915601.db2.gz	UQLUWUPCQHGOBT-BPLDGKMQSA-N	1	0	351.472	2.000	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001081675913	904923716	/nfs/dbraw/zinc/92/37/16/904923716.db2.gz	LWQYRFSEZNPHGF-VAMGGRTRSA-N	1	0	368.481	1.215	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@]3(CC(C)C)CCNC3=O)CCC[C@@H]12	ZINC001107442896	904940469	/nfs/dbraw/zinc/94/04/69/904940469.db2.gz	QBLLEMZSMQQIGY-DUXKGJEZSA-N	1	0	359.514	1.923	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CCN(C)C3=O)CCC[C@@H]12	ZINC001107446312	904953177	/nfs/dbraw/zinc/95/31/77/904953177.db2.gz	FWGHBQQWPNWNIT-HDMKZQKVSA-N	1	0	353.894	1.968	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCn4nccc43)CCC[C@@H]12	ZINC001107453116	904993226	/nfs/dbraw/zinc/99/32/26/904993226.db2.gz	JEJOBMWKNZCWRA-YFVAEKQCSA-N	1	0	370.497	1.771	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(OC)nc3)CCC[C@@H]12	ZINC001107466494	905043545	/nfs/dbraw/zinc/04/35/45/905043545.db2.gz	OKLYCACYPZFYDA-YLJYHZDGSA-N	1	0	357.454	1.714	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3ccncc3)CCC[C@@H]12	ZINC001107460943	905060120	/nfs/dbraw/zinc/06/01/20/905060120.db2.gz	MZPOKUAQJBOONI-WIYYLYMNSA-N	1	0	370.497	1.677	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1OC	ZINC001081810341	905132986	/nfs/dbraw/zinc/13/29/86/905132986.db2.gz	VDPKXZPCNLFTNR-HSALFYBXSA-N	1	0	355.482	1.142	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](CCC)S(N)(=O)=O)CCC[C@@H]12	ZINC001107485227	905162121	/nfs/dbraw/zinc/16/21/21/905162121.db2.gz	PUGUDFJNAYVOIU-LZLYRXPVSA-N	1	0	371.547	1.771	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](OC)C3CCC3)CCC[C@@H]12	ZINC001107488814	905212366	/nfs/dbraw/zinc/21/23/66/905212366.db2.gz	YIVXZMUWPOUEJB-YVWKXTFCSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCC([NH+]2CCN(CCF)CC2)CC1	ZINC000996774943	905310543	/nfs/dbraw/zinc/31/05/43/905310543.db2.gz	BZVSNQYPCNITLT-GMNCBBECSA-N	1	0	367.509	1.982	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCC([NH+]2CCN(CCO)CC2)CC1	ZINC000996775171	905311872	/nfs/dbraw/zinc/31/18/72/905311872.db2.gz	DPYNMTYKVAILBJ-GMNCBBECSA-N	1	0	365.518	1.005	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccoc3C3CC3)CCC[C@@H]12	ZINC001107517819	905322600	/nfs/dbraw/zinc/32/26/00/905322600.db2.gz	COURSWABNJYGLR-OXQOHEQNSA-N	1	0	370.453	1.771	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)c1n[nH]cc1F	ZINC001080397890	905361678	/nfs/dbraw/zinc/36/16/78/905361678.db2.gz	YUYIDZIWQHBVMN-MLGOLLRUSA-N	1	0	357.389	1.701	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc(C(F)(F)F)ncn2)[C@H](OC)C1	ZINC001081938464	905388207	/nfs/dbraw/zinc/38/82/07/905388207.db2.gz	OXBGVMTYXIUWOM-CHWSQXEVSA-N	1	0	358.364	1.891	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3CCC(F)CC3)CCC[C@@H]12	ZINC001107533991	905404001	/nfs/dbraw/zinc/40/40/01/905404001.db2.gz	QZICMTCWUPMELU-YBSITQRDSA-N	1	0	364.465	1.515	20	30		FDEDRO
N#CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)CC1	ZINC000996783939	905449666	/nfs/dbraw/zinc/44/96/66/905449666.db2.gz	ZCZKFLASAWRGAJ-TXQZXFLYSA-N	1	0	360.502	1.370	20	30		FDEDRO
C[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1	ZINC001080446865	905451314	/nfs/dbraw/zinc/45/13/14/905451314.db2.gz	RZVROAQYHPKVQH-QMTMVMCOSA-N	1	0	358.461	1.976	20	30		FDEDRO
C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1C	ZINC001080464270	905469705	/nfs/dbraw/zinc/46/97/05/905469705.db2.gz	OVQOWRREHPYJOC-RGCFKVTRSA-N	1	0	357.454	1.950	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@H](CC)[NH+](CC)CC)C1	ZINC001080515184	905568877	/nfs/dbraw/zinc/56/88/77/905568877.db2.gz	GHCSRZLWRAEUBB-SQNIBIBYSA-N	1	0	365.518	1.757	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)C3(N4CCOCC4)CCCC3)CCC[C@@H]12	ZINC001107563803	905605522	/nfs/dbraw/zinc/60/55/22/905605522.db2.gz	TWJDQMHSFORULF-UYAOXDASSA-N	1	0	359.514	1.625	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)OCCOC)CCC[C@@H]12	ZINC001107567572	905680016	/nfs/dbraw/zinc/68/00/16/905680016.db2.gz	ZLHAHNSMQMUZFP-ZHALLVOQSA-N	1	0	352.475	1.049	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4cccnn43)CCC[C@@H]12	ZINC001107569571	905690488	/nfs/dbraw/zinc/69/04/88/905690488.db2.gz	DDWWWZIDDQIUFH-YLJYHZDGSA-N	1	0	367.453	1.354	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3)C[C@H]2C)nn1	ZINC001080589749	905758014	/nfs/dbraw/zinc/75/80/14/905758014.db2.gz	JSEYTSGNBUTMSH-SJLPKXTDSA-N	1	0	369.469	1.983	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]2OC)CC1	ZINC001082097033	905762721	/nfs/dbraw/zinc/76/27/21/905762721.db2.gz	QOOYXKDMYAZMEV-QZTJIDSGSA-N	1	0	359.470	1.447	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@]3(C)CCCS3(=O)=O)CCC[C@@H]12	ZINC001107576865	905767130	/nfs/dbraw/zinc/76/71/30/905767130.db2.gz	FRAHOSHCQRBYJP-BPQIPLTHSA-N	1	0	354.516	1.891	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH]cc3C3CC3)CCC[C@@H]12	ZINC001107590273	905812818	/nfs/dbraw/zinc/81/28/18/905812818.db2.gz	ZSFGMACAQLCXKL-YLJYHZDGSA-N	1	0	369.469	1.506	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1C	ZINC001080599089	905817396	/nfs/dbraw/zinc/81/73/96/905817396.db2.gz	OTYYZNGLGIZBCG-XBVQOTNRSA-N	1	0	366.893	1.954	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)CCC[C@@H]12	ZINC001107586091	905829990	/nfs/dbraw/zinc/82/99/90/905829990.db2.gz	GRDCANXGEMZJMT-DNVCBOLYSA-N	1	0	360.458	1.676	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C	ZINC001082125603	905865984	/nfs/dbraw/zinc/86/59/84/905865984.db2.gz	BWZSZODCHYSZSI-KSZLIROESA-N	1	0	365.518	1.805	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)COCc3nc(CC)no3)CCC[C@@H]12	ZINC001107604477	905946357	/nfs/dbraw/zinc/94/63/57/905946357.db2.gz	WTWBSYYPPYJPKU-DNVCBOLYSA-N	1	0	360.458	1.533	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](C[C@H](O)COC)CC3)cn1	ZINC001107610213	905970110	/nfs/dbraw/zinc/97/01/10/905970110.db2.gz	SLEZBHRZMXUHTC-NLWGTHIKSA-N	1	0	357.454	1.045	20	30		FDEDRO
CC(=O)N1CC[C@@](C)(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2C)C1	ZINC001080738575	906082178	/nfs/dbraw/zinc/08/21/78/906082178.db2.gz	LPDJJYJVSKKZID-QFIXIFRTSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)Cn3ccccc3=O)CCC[C@@H]12	ZINC001107629673	906115288	/nfs/dbraw/zinc/11/52/88/906115288.db2.gz	IDKVIUGIFUHOCC-YLJYHZDGSA-N	1	0	359.470	1.412	20	30		FDEDRO
CCn1cc(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)cn1	ZINC001080758103	906155990	/nfs/dbraw/zinc/15/59/90/906155990.db2.gz	LEGKMMAHRJIPLB-DNVCBOLYSA-N	1	0	351.454	1.954	20	30		FDEDRO
C=CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnnn1CC)CC2	ZINC001107651245	906230324	/nfs/dbraw/zinc/23/03/24/906230324.db2.gz	WEYOEAWPLJQQSJ-SZVBFZGTSA-N	1	0	361.490	1.750	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C3CC3)C[C@H]2O)c1	ZINC001077650057	906232900	/nfs/dbraw/zinc/23/29/00/906232900.db2.gz	QRDJRLBBYFXSAM-NHCUHLMSSA-N	1	0	361.445	1.915	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)COC[C@H]3CCCO3)CCC[C@@H]12	ZINC001107654791	906254386	/nfs/dbraw/zinc/25/43/86/906254386.db2.gz	JJNYKCZHWDBWJM-QWFCFKBJSA-N	1	0	366.502	1.745	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCc3nc(C)no3)C[C@H]2C)nc1	ZINC001080808242	906298336	/nfs/dbraw/zinc/29/83/36/906298336.db2.gz	PWCNJATVNURVDQ-CXAGYDPISA-N	1	0	353.426	1.437	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1OC	ZINC001082227299	906421289	/nfs/dbraw/zinc/42/12/89/906421289.db2.gz	BFXJONHTLGHGKZ-MANSERQUSA-N	1	0	366.502	1.600	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1C	ZINC001080851615	906446340	/nfs/dbraw/zinc/44/63/40/906446340.db2.gz	RRFQKVAZYBQOMT-FOIQADDNSA-N	1	0	365.481	1.555	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1	ZINC001082271588	906459330	/nfs/dbraw/zinc/45/93/30/906459330.db2.gz	IWDKULVZGRBDPK-WOJBJXKFSA-N	1	0	370.497	1.606	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2-c2cnn(C)c2)[C@H](OC)C1	ZINC001082317642	906761810	/nfs/dbraw/zinc/76/18/10/906761810.db2.gz	GMMVAUYWOKHNKM-HZPDHXFCSA-N	1	0	358.446	1.205	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@@H]1C[N@@H+](CC[C@H](C)F)C[C@H]1OC	ZINC001082318094	906764404	/nfs/dbraw/zinc/76/44/04/906764404.db2.gz	XSDDOUWDLPVLKI-SQWLQELKSA-N	1	0	351.422	1.824	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1	ZINC000765314768	906769994	/nfs/dbraw/zinc/76/99/94/906769994.db2.gz	PWQCYWOHSJAVLW-UXPWSPDFSA-N	1	0	367.497	1.889	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2)CC1	ZINC000997004579	906893959	/nfs/dbraw/zinc/89/39/59/906893959.db2.gz	CGKBZPWJVCUPKA-MSOLQXFVSA-N	1	0	354.454	1.363	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1OC	ZINC001082345695	906938205	/nfs/dbraw/zinc/93/82/05/906938205.db2.gz	XHHLXJDNTNUCRE-WOJBJXKFSA-N	1	0	356.466	1.452	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1CCc2nncn2C1	ZINC001080991659	906960154	/nfs/dbraw/zinc/96/01/54/906960154.db2.gz	ZZDKBDBNDUTFKJ-FHLIZLRMSA-N	1	0	364.453	1.349	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3coc(C4CC4)n3)C[C@H]2C)CC1	ZINC001080997381	906969642	/nfs/dbraw/zinc/96/96/42/906969642.db2.gz	BAQUHDJJKNEKQJ-DNVCBOLYSA-N	1	0	370.497	1.834	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN([C@@H](C)c3nnc(C)o3)C[C@H]2C)CC1	ZINC001080997729	906972829	/nfs/dbraw/zinc/97/28/29/906972829.db2.gz	JVTOUKDBZOKHSD-JKIFEVAISA-N	1	0	359.474	1.221	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)C2)C1=O	ZINC001081023206	906976954	/nfs/dbraw/zinc/97/69/54/906976954.db2.gz	HFDRRRFIDNVZKX-WLTHVWPRSA-N	1	0	357.498	1.502	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1ccc(C(N)=O)cn1	ZINC001081032224	906991367	/nfs/dbraw/zinc/99/13/67/906991367.db2.gz	KONHDDFDMJAURL-FZKQIMNGSA-N	1	0	363.421	1.302	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1ccc(C(N)=O)nc1	ZINC001081040856	907020507	/nfs/dbraw/zinc/02/05/07/907020507.db2.gz	YZBZCRYCVKFXAZ-FZKQIMNGSA-N	1	0	363.421	1.302	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2c3ccccc3oc2=O)[C@H](OC)C1	ZINC001082365878	907159922	/nfs/dbraw/zinc/15/99/22/907159922.db2.gz	ZPTDSPGMIBTWQM-RHSMWYFYSA-N	1	0	359.426	1.376	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2ccc3c(c2)nnn3CC)[C@H](OC)C1	ZINC001082365713	907159973	/nfs/dbraw/zinc/15/99/73/907159973.db2.gz	REBAIGYIMNBZAS-SJLPKXTDSA-N	1	0	357.458	1.846	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H]2CCCNC2=O)C1	ZINC001081114906	907213887	/nfs/dbraw/zinc/21/38/87/907213887.db2.gz	MMJICPQXQWLLBS-IPMKNSEASA-N	1	0	351.450	1.263	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN(C(C)=O)C2)C[C@H]1c1ccccc1	ZINC001081143229	907253749	/nfs/dbraw/zinc/25/37/49/907253749.db2.gz	SKWXLESVNJKHDS-SLFFLAALSA-N	1	0	353.466	1.462	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2COCCN2CCCC)C[C@H]1c1ccccc1	ZINC001081151223	907264674	/nfs/dbraw/zinc/26/46/74/907264674.db2.gz	AWBVPPYJGPVANP-PWRODBHTSA-N	1	0	369.509	1.705	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1c1ccccc1	ZINC001081170999	907293374	/nfs/dbraw/zinc/29/33/74/907293374.db2.gz	YUVYCYYJTVGDRL-GOEBONIOSA-N	1	0	358.829	1.720	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cccc(CNC(C)=O)c2)[C@H](OC)C1	ZINC001082377493	907318044	/nfs/dbraw/zinc/31/80/44/907318044.db2.gz	RZPGZDBKDVNZJE-RTBURBONSA-N	1	0	359.470	1.718	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cn2c(C)csc2=O)C[C@H]1c1ccccc1	ZINC001081223967	907336457	/nfs/dbraw/zinc/33/64/57/907336457.db2.gz	DLGYNLNSPPFQLM-DLBZAZTESA-N	1	0	355.463	1.436	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1c1ccccc1	ZINC001081179924	907354336	/nfs/dbraw/zinc/35/43/36/907354336.db2.gz	RPOSIFMJWJEDHJ-YDZRNGNQSA-N	1	0	355.482	1.871	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN2C(=O)C(C)C)[C@H](OC)C1	ZINC001082382376	907364765	/nfs/dbraw/zinc/36/47/65/907364765.db2.gz	ATSCUYZAFPMZNV-IXDOHACOSA-N	1	0	351.491	1.415	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCCS2(=O)=O)C[C@H]1c1ccccc1	ZINC001081195543	907373341	/nfs/dbraw/zinc/37/33/41/907373341.db2.gz	GNAVGGJNOCEONY-SCTDSRPQSA-N	1	0	360.479	1.171	20	30		FDEDRO
CCOCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N(CC)CCC#N)C2	ZINC001111653277	907443132	/nfs/dbraw/zinc/44/31/32/907443132.db2.gz	UYGUQJDAXZNZLB-LPHOPBHVSA-N	1	0	364.490	1.146	20	30		FDEDRO
C#CCNCc1ccncc1O[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C=C)C1	ZINC001127898074	907576794	/nfs/dbraw/zinc/57/67/94/907576794.db2.gz	JXPRAZGOSUMHDU-KSZLIROESA-N	1	0	355.438	1.375	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2cnc(C)cn2)C[C@H]1C	ZINC001082413782	907633863	/nfs/dbraw/zinc/63/38/63/907633863.db2.gz	SFEVHHFGXOOCAE-FZKQIMNGSA-N	1	0	365.437	1.916	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc(Cl)c[nH]3)C[C@H]2C)C1=O	ZINC001082423933	907653749	/nfs/dbraw/zinc/65/37/49/907653749.db2.gz	YQMONQJTCKLBGO-OSAQELSMSA-N	1	0	350.850	1.505	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cnn(C)c3C)C[C@H]2C)cc1C#N	ZINC001082424818	907656898	/nfs/dbraw/zinc/65/68/98/907656898.db2.gz	CCAVJGGQSIBAGB-FZKQIMNGSA-N	1	0	367.453	1.859	20	30		FDEDRO
Cc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)cnn1C	ZINC001082425551	907663852	/nfs/dbraw/zinc/66/38/52/907663852.db2.gz	SESVHCICCTVOIT-KZULUSFZSA-N	1	0	355.417	1.990	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)CCn3cncn3)C[C@H]2C)cc1C#N	ZINC001082426098	907668435	/nfs/dbraw/zinc/66/84/35/907668435.db2.gz	UBJNTEAZOYDWFH-RHSMWYFYSA-N	1	0	368.441	1.185	20	30		FDEDRO
Cc1csc2nc(C[NH2+][C@@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C)cc(=O)n12	ZINC001082450870	907730320	/nfs/dbraw/zinc/73/03/20/907730320.db2.gz	KCZQZAFUSVFOTO-JTNHKYCSSA-N	1	0	359.455	1.161	20	30		FDEDRO
C[C@@H](C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O)[NH+]1CCCCCC1	ZINC001077774317	907808840	/nfs/dbraw/zinc/80/88/40/907808840.db2.gz	UXCOSGMTNIVOQX-CEWLAPEOSA-N	1	0	369.509	1.464	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)Cc2cc(C)n[nH]2)C[C@H]1C	ZINC001082470911	907915110	/nfs/dbraw/zinc/91/51/10/907915110.db2.gz	NVBAACOAUMFQET-FZKQIMNGSA-N	1	0	367.453	1.778	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C)C(=O)N1CCCCCC1	ZINC001082482150	907958286	/nfs/dbraw/zinc/95/82/86/907958286.db2.gz	XBDGFNAMFKOLPV-RVKKMQEKSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccoc3Cl)C[C@H]2C)C1=O	ZINC001082490508	907998230	/nfs/dbraw/zinc/99/82/30/907998230.db2.gz	FZUKQUYIKWTFHH-MRVWCRGKSA-N	1	0	351.834	1.770	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3nnc(C)[nH]3)C[C@H]2C)cc1C#N	ZINC001082505330	908120829	/nfs/dbraw/zinc/12/08/29/908120829.db2.gz	XMICKXQRSILISG-MLGOLLRUSA-N	1	0	368.441	1.173	20	30		FDEDRO
C[C@@H]1CN(C(=O)CO[C@@H]2CCOC2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082508085	908153637	/nfs/dbraw/zinc/15/36/37/908153637.db2.gz	PKLKNGDRUCVAIU-MZMPZRCHSA-N	1	0	361.417	1.439	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnc(C)cn2)C1=O	ZINC001085123329	921388007	/nfs/dbraw/zinc/38/80/07/921388007.db2.gz	VXLFZVNMQPISRW-BZUAXINKSA-N	1	0	357.458	1.203	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)/C=C/C2CC2)CC1	ZINC000997358256	908314364	/nfs/dbraw/zinc/31/43/64/908314364.db2.gz	XFNLOXJPPZCUKO-UJXMIOSPSA-N	1	0	355.482	1.546	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc3n[nH]nc3n2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082545946	908452307	/nfs/dbraw/zinc/45/23/07/908452307.db2.gz	OKGKYCDRJUHHFE-SJKOYZFVSA-N	1	0	361.409	1.475	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn3ccncc23)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082562632	908642984	/nfs/dbraw/zinc/64/29/84/908642984.db2.gz	ZEIBRTKXNZWXSZ-RDTXWAMCSA-N	1	0	360.421	1.851	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)cc2)C1	ZINC001082568012	908707512	/nfs/dbraw/zinc/70/75/12/908707512.db2.gz	RRTCSXXYUNYHAP-AHRSYUTCSA-N	1	0	355.482	1.729	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccccc2F)C1	ZINC001082568946	908715203	/nfs/dbraw/zinc/71/52/03/908715203.db2.gz	ZRQCQRMHEWURNK-AHRSYUTCSA-N	1	0	357.473	1.902	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2[nH]c(=O)[nH]c2C)C[C@H]1C	ZINC001082578884	908765626	/nfs/dbraw/zinc/76/56/26/908765626.db2.gz	UKHKXHLBBYRHQS-IAQYHMDHSA-N	1	0	369.425	1.554	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1C	ZINC001082580845	908782077	/nfs/dbraw/zinc/78/20/77/908782077.db2.gz	IIWJOTKRFCTNGJ-KBRIMQKVSA-N	1	0	370.453	1.172	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082583280	908883279	/nfs/dbraw/zinc/88/32/79/908883279.db2.gz	GQHJVIVZDRDYBS-BDJLRTHQSA-N	1	0	355.373	1.443	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)C[C@@H](OC)CC3)C[C@H]1C	ZINC001082587986	908911473	/nfs/dbraw/zinc/91/14/73/908911473.db2.gz	HIBIBCYMVDNEBY-KWCYVHTRSA-N	1	0	352.866	1.647	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H]3CCN(C)C3=O)C2)cc1	ZINC001082600138	908961409	/nfs/dbraw/zinc/96/14/09/908961409.db2.gz	CEISWGLQEFPYEY-FHLIZLRMSA-N	1	0	357.454	1.532	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cn2nnc(-c3ccco3)n2)C[C@H]1C	ZINC001082612014	909010852	/nfs/dbraw/zinc/01/08/52/909010852.db2.gz	NCLVATYNIIEUBA-ZYHUDNBSSA-N	1	0	350.810	1.122	20	30		FDEDRO
CCO[C@H](CNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1)C[NH+](C)C	ZINC000921631288	909014043	/nfs/dbraw/zinc/01/40/43/909014043.db2.gz	AMOJIZCUHWASST-OAHLLOKOSA-N	1	0	353.488	1.733	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1CN(Cc2cnc(C)nc2)C[C@H]1OC)OCC	ZINC001212354882	909066343	/nfs/dbraw/zinc/06/63/43/909066343.db2.gz	LUIDGPUKVCSNRH-KZNAEPCWSA-N	1	0	362.474	1.472	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1OC)OCC	ZINC001212354892	909066587	/nfs/dbraw/zinc/06/65/87/909066587.db2.gz	MMTGYMKGPWLVJQ-OWCLPIDISA-N	1	0	369.506	1.088	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2ncnc3[nH]ccc32)C[C@H]1C	ZINC001082619733	909115416	/nfs/dbraw/zinc/11/54/16/909115416.db2.gz	VYWLPVXCEXAWSB-BXKDBHETSA-N	1	0	364.247	1.868	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082628251	909158295	/nfs/dbraw/zinc/15/82/95/909158295.db2.gz	QYXMPIFYVJAEOF-FHLIZLRMSA-N	1	0	369.469	1.285	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccc(C)c(OC)c3)C[C@H]2C)C1=O	ZINC001082629175	909164190	/nfs/dbraw/zinc/16/41/90/909164190.db2.gz	UGHXEIIMOAVTLR-KBAYOESNSA-N	1	0	371.481	1.841	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc(Cl)cn3C)C[C@H]2C)C1=O	ZINC001082630591	909174025	/nfs/dbraw/zinc/17/40/25/909174025.db2.gz	IGAYVPMVPNRVFL-BPLDGKMQSA-N	1	0	364.877	1.516	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)ccc2=O)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082635483	909226679	/nfs/dbraw/zinc/22/66/79/909226679.db2.gz	DSWINBXGRMDHMX-FZKQIMNGSA-N	1	0	368.412	1.646	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082653153	909367381	/nfs/dbraw/zinc/36/73/81/909367381.db2.gz	WTIRYWGPNLTJOR-MLGOLLRUSA-N	1	0	369.400	1.041	20	30		FDEDRO
CCn1cc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)nn1	ZINC001082657737	909420454	/nfs/dbraw/zinc/42/04/54/909420454.db2.gz	PXWJUJWVZGMFLH-FZKQIMNGSA-N	1	0	370.432	1.488	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)CCc1cncn1C	ZINC001077813707	909425189	/nfs/dbraw/zinc/42/51/89/909425189.db2.gz	YJAORYVADMJCCY-ZVZYQTTQSA-N	1	0	362.474	1.345	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082658836	909427794	/nfs/dbraw/zinc/42/77/94/909427794.db2.gz	ANLKIGDPUIPXDC-CRAIPNDOSA-N	1	0	351.454	1.861	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2C)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082680069	909508059	/nfs/dbraw/zinc/50/80/59/909508059.db2.gz	OJYWGIQSTXRDHH-ZTFGCOKTSA-N	1	0	354.454	1.506	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCC(C)(C)CC2)C[C@@H]1O	ZINC001083790180	909521915	/nfs/dbraw/zinc/52/19/15/909521915.db2.gz	SLFHPALSXYUEMI-BDXSIMOUSA-N	1	0	350.503	1.955	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccnc(OC)n3)C2)cc1	ZINC001082678256	909560112	/nfs/dbraw/zinc/56/01/12/909560112.db2.gz	IXGDAYRKQPDLQE-RDTXWAMCSA-N	1	0	350.422	1.717	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H]3CCN(C(C)C)C3=O)C2)cc1	ZINC001082678845	909565565	/nfs/dbraw/zinc/56/55/65/909565565.db2.gz	XUFZBKWJGMSPFV-AYOQOUSVSA-N	1	0	353.466	1.727	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082684413	909567190	/nfs/dbraw/zinc/56/71/90/909567190.db2.gz	AQHUFRDYUZAHLT-IAQYHMDHSA-N	1	0	357.389	1.387	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082685112	909569312	/nfs/dbraw/zinc/56/93/12/909569312.db2.gz	AQCUWUWNYBMMJT-IAQYHMDHSA-N	1	0	357.389	1.387	20	30		FDEDRO
COc1nn(C)cc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001082681473	909597518	/nfs/dbraw/zinc/59/75/18/909597518.db2.gz	VBDYSGJJPXFIAV-CXAGYDPISA-N	1	0	353.426	1.551	20	30		FDEDRO
Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1	ZINC001082697411	909653472	/nfs/dbraw/zinc/65/34/72/909653472.db2.gz	CEOYWXIHZMLJDY-BDJLRTHQSA-N	1	0	369.400	1.752	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082697733	909656985	/nfs/dbraw/zinc/65/69/85/909656985.db2.gz	VLYAEYMXCFUKKC-ZTQAJYAQSA-N	1	0	354.454	1.411	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[NH2+][C@@H](C)c2nncn2C)CC1	ZINC000997780658	909684169	/nfs/dbraw/zinc/68/41/69/909684169.db2.gz	FJGQTBZIIRSTAU-UAGQMJEPSA-N	1	0	361.490	1.686	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)Cc2ncccc2OC)C[C@H]1C	ZINC001082706096	909722658	/nfs/dbraw/zinc/72/26/58/909722658.db2.gz	UHOHQUDFPOVHAL-BXUZGUMPSA-N	1	0	368.275	1.978	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccc(OC)cc3C)C[C@H]2C)C1=O	ZINC001082717187	909802915	/nfs/dbraw/zinc/80/29/15/909802915.db2.gz	YDASAHHHLDOHKS-AYOQOUSVSA-N	1	0	371.481	1.841	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082745300	909970389	/nfs/dbraw/zinc/97/03/89/909970389.db2.gz	PRHVPBPDTAJVNA-FZKQIMNGSA-N	1	0	370.432	1.395	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)COc2cccnc2)C[C@H]1C	ZINC001082809102	910271259	/nfs/dbraw/zinc/27/12/59/910271259.db2.gz	BGSCXDXWYMMSHL-BXUZGUMPSA-N	1	0	354.248	1.806	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cn(CC3CC3)nn2)C[C@H]1C	ZINC001082828711	910346983	/nfs/dbraw/zinc/34/69/83/910346983.db2.gz	ATYQOCHIXNNKCL-ZWNOBZJWSA-N	1	0	368.279	1.647	20	30		FDEDRO
CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(C#N)ccc3OC)C2)nn1	ZINC001082829470	910350854	/nfs/dbraw/zinc/35/08/54/910350854.db2.gz	YOUOYIPHRBPDEN-CZUORRHYSA-N	1	0	368.441	1.429	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2coc(COC)n2)C[C@H]1C	ZINC001082831093	910358628	/nfs/dbraw/zinc/35/86/28/910358628.db2.gz	SXDBLBBVCXSKGC-MWLCHTKSSA-N	1	0	358.236	1.780	20	30		FDEDRO
COc1ncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)cn1	ZINC001082838361	910375180	/nfs/dbraw/zinc/37/51/80/910375180.db2.gz	NYFFHKBMTHWBLT-SJKOYZFVSA-N	1	0	369.400	1.746	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnc(C)nc2)C1	ZINC001082868964	910509509	/nfs/dbraw/zinc/50/95/09/910509509.db2.gz	GVFQQGFCVOFUSP-RDTXWAMCSA-N	1	0	365.437	1.442	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082869121	910511177	/nfs/dbraw/zinc/51/11/77/910511177.db2.gz	QYTDCNBQLRUOFT-RDTXWAMCSA-N	1	0	350.422	1.507	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCCC[C@@H]3C)C2)cn1	ZINC001082870221	910517172	/nfs/dbraw/zinc/51/71/72/910517172.db2.gz	IHVLZCXTMKKAMU-JTDSTZFVSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(CO)ccc3F)C2)nc1	ZINC001082870266	910517636	/nfs/dbraw/zinc/51/76/36/910517636.db2.gz	LGMYDVHBSGZFEM-JLTOFOAXSA-N	1	0	367.424	1.945	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc3n(n2)CCC3)C1	ZINC001082884947	910665145	/nfs/dbraw/zinc/66/51/45/910665145.db2.gz	UDNYKXXDIVONRN-IIBYNOLFSA-N	1	0	362.477	1.990	20	30		FDEDRO
CC(C)NC(=O)CNC(=S)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000727273170	910709801	/nfs/dbraw/zinc/70/98/01/910709801.db2.gz	LRUIEJFQOYJASQ-UHFFFAOYSA-N	1	0	373.526	1.465	20	30		FDEDRO
C#Cc1cccc(NC(=S)NNC(=S)NC[C@@H]2CCC[N@H+]2CC)c1	ZINC000727289800	910746590	/nfs/dbraw/zinc/74/65/90/910746590.db2.gz	JVAZIBCJDPGILA-HNNXBMFYSA-N	1	0	361.540	1.818	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)Cc3ccccc3C)C[C@H]2C)C1=O	ZINC001082911033	910850902	/nfs/dbraw/zinc/85/09/02/910850902.db2.gz	ZFTSHHIEZPFRSJ-BHIYHBOVSA-N	1	0	355.482	1.761	20	30		FDEDRO
Cc1csc(=O)n1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001082915654	910892606	/nfs/dbraw/zinc/89/26/06/910892606.db2.gz	KFXUTBFONCZNBO-CXAGYDPISA-N	1	0	370.478	1.727	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cccc(C(N)=O)n2)C[C@H]1C	ZINC001082950982	911072369	/nfs/dbraw/zinc/07/23/69/911072369.db2.gz	UGFTVTRPRVVSAY-NOZJJQNGSA-N	1	0	367.247	1.139	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccc(C)cc2)C[C@H]1O	ZINC001077821815	911140366	/nfs/dbraw/zinc/14/03/66/911140366.db2.gz	ICZXVCMXYGUFRN-NMLBUPMWSA-N	1	0	358.482	1.680	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(C)n2C)C1=O	ZINC001085133103	921642389	/nfs/dbraw/zinc/64/23/89/921642389.db2.gz	HLQMTOKRBOYMFO-BRWVUGGUSA-N	1	0	358.486	1.751	20	30		FDEDRO
Cc1ccccc1C[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C#N)c[nH]3)[C@H]2C1	ZINC001083040138	911759831	/nfs/dbraw/zinc/75/98/31/911759831.db2.gz	YNTJJJCTANGANX-RBUKOAKNSA-N	1	0	350.422	1.920	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@@H]2CC[N@@H+](C)C2)nc1	ZINC000998947947	911892792	/nfs/dbraw/zinc/89/27/92/911892792.db2.gz	IGHFPFDQZATHOH-NBMJBFSESA-N	1	0	366.465	1.266	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(OC)c(OC)c3C)[C@H]2C1	ZINC001083115394	911916678	/nfs/dbraw/zinc/91/66/78/911916678.db2.gz	FGPFWFUMCXKENL-FUHWJXTLSA-N	1	0	358.438	1.561	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1	ZINC000998955129	911923447	/nfs/dbraw/zinc/92/34/47/911923447.db2.gz	WIDHDRLGOPIBHN-HBRVENNYSA-N	1	0	366.465	1.265	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](CC)[NH+](C)C	ZINC000999012195	911961424	/nfs/dbraw/zinc/96/14/24/911961424.db2.gz	FUXGLDPPIYGCEN-FYQPLNBISA-N	1	0	367.493	1.799	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)COc3ccc(F)cc3F)[C@H]2C1	ZINC001083098960	912002816	/nfs/dbraw/zinc/00/28/16/912002816.db2.gz	OAYCEFJUFYTEGP-DOTOQJQBSA-N	1	0	350.365	1.279	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4c(c3)N(C)C(=O)C4)[C@H]2C1	ZINC001083133039	912141592	/nfs/dbraw/zinc/14/15/92/912141592.db2.gz	ZQXIONUUZLLNON-RBUKOAKNSA-N	1	0	369.465	1.697	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccn(C)c(=O)c4)C[C@H]32)cc1	ZINC001084568075	915402506	/nfs/dbraw/zinc/40/25/06/915402506.db2.gz	XHJWFXROCOVEER-WOJBJXKFSA-N	1	0	361.445	1.713	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(CC#Cc4ccccc4)C[C@H]32)C1	ZINC001084662734	915923500	/nfs/dbraw/zinc/92/35/00/915923500.db2.gz	VGVRNSJQXVXSQG-HMXCVIKNSA-N	1	0	351.494	1.913	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccc(C(N)=O)[nH]4)[C@@H]3C2)cc1	ZINC001084666161	915970931	/nfs/dbraw/zinc/97/09/31/915970931.db2.gz	MIHYHPKJMCXDLM-CRAIPNDOSA-N	1	0	363.421	1.332	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@H]3CC[N@H+](C[C@H]4CCOC4)C[C@H]32)cc1	ZINC001084708850	916393981	/nfs/dbraw/zinc/39/39/81/916393981.db2.gz	WTEMGFLWOSSSKM-YVWKXTFCSA-N	1	0	354.450	1.881	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@H]4CCC(=O)N4)[C@@H]3C2)cc1	ZINC001084718171	916476036	/nfs/dbraw/zinc/47/60/36/916476036.db2.gz	ZYYDZXYYXVPTQA-KZNAEPCWSA-N	1	0	352.438	1.260	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)c1	ZINC000730916018	917474333	/nfs/dbraw/zinc/47/43/33/917474333.db2.gz	RWRJECALQFMQBE-UHFFFAOYSA-N	1	0	357.454	1.612	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNC(=O)C#CC(C)(C)C)C2)CC[N@@H+]1C	ZINC001065210898	917488474	/nfs/dbraw/zinc/48/84/74/917488474.db2.gz	HSNCEEUCJDPMFF-YESZJQIVSA-N	1	0	363.502	1.110	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN([C@H](C)c4nc(C)no4)C[C@H]32)CC1	ZINC001084850199	917694148	/nfs/dbraw/zinc/69/41/48/917694148.db2.gz	OUBHJMRHMXFFCT-ZTFGCOKTSA-N	1	0	371.485	1.317	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1	ZINC000731123296	917733406	/nfs/dbraw/zinc/73/34/06/917733406.db2.gz	ORYYSZOBUNWUCZ-HZPDHXFCSA-N	1	0	357.454	1.874	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c1	ZINC000731129043	917775655	/nfs/dbraw/zinc/77/56/55/917775655.db2.gz	FQRKLHAUUJFWRH-SFHVURJKSA-N	1	0	373.453	1.206	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)OCC(=O)NCC#N	ZINC000731256252	917925709	/nfs/dbraw/zinc/92/57/09/917925709.db2.gz	LIXDWMWBGGLTIZ-HNNXBMFYSA-N	1	0	359.426	1.736	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)C4=COCCO4)C[C@@H]32)cc1	ZINC001084884179	917974188	/nfs/dbraw/zinc/97/41/88/917974188.db2.gz	HUEPVGDYFUDDPM-MSOLQXFVSA-N	1	0	353.422	1.869	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ccccc4O)C[C@@H]32)C1=O	ZINC001084892542	918024612	/nfs/dbraw/zinc/02/46/12/918024612.db2.gz	HLKZZMBFEHBYDU-SZMVWBNQSA-N	1	0	369.465	1.716	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cnn(C)c4C)C[C@@H]32)C1=O	ZINC001084890536	918029945	/nfs/dbraw/zinc/02/99/45/918029945.db2.gz	XGNQTFDWTPACHK-JQHSSLGASA-N	1	0	371.485	1.052	20	30		FDEDRO
Cc1c(C(=O)N[C@H](C#N)C2CC2)nnn1-c1cccc2c1CC[N@@H+](C)C2	ZINC000731476954	918149701	/nfs/dbraw/zinc/14/97/01/918149701.db2.gz	RRMXHJOCVGJZRQ-MRXNPFEDSA-N	1	0	350.426	1.596	20	30		FDEDRO
c1ccc(-c2noc(N=NC3CC[NH+](CCN4CCOCC4)CC3)n2)cc1	ZINC000731558550	918198031	/nfs/dbraw/zinc/19/80/31/918198031.db2.gz	YGGTYSQZFCBCOS-UHFFFAOYSA-N	1	0	370.457	1.933	20	30		FDEDRO
CC(C)c1nc(C#N)c(N=NC2CC[NH+](CCN3CCOCC3)CC2)o1	ZINC000731558446	918198609	/nfs/dbraw/zinc/19/86/09/918198609.db2.gz	UPUGPRARQVJEFR-UHFFFAOYSA-N	1	0	360.462	1.866	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)c4nccnc4N)C[C@@H]32)c1	ZINC001084907485	918206637	/nfs/dbraw/zinc/20/66/37/918206637.db2.gz	UAKSVGITQBUSSB-SJORKVTESA-N	1	0	362.437	1.667	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](CCN4CCCC4=O)[C@H]3C2)[nH]1	ZINC001084921866	918365434	/nfs/dbraw/zinc/36/54/34/918365434.db2.gz	ZJMBPQTXILFHLP-PBHICJAKSA-N	1	0	355.442	1.045	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cnnc(C)c4)C[C@@H]32)C1=O	ZINC001084929188	918384782	/nfs/dbraw/zinc/38/47/82/918384782.db2.gz	QXMONIQRSKPZLT-SZMVWBNQSA-N	1	0	369.469	1.108	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cn([C@@H]4CCOC4)nc3C)C[C@@H]21	ZINC001084940254	918561748	/nfs/dbraw/zinc/56/17/48/918561748.db2.gz	PNDZGPQLIBTEJV-LMMKCTJWSA-N	1	0	356.470	1.713	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC3CC3)[C@H]2C1	ZINC001084948920	918672675	/nfs/dbraw/zinc/67/26/75/918672675.db2.gz	LGHIDPGJZAEGDV-HIFRSBDPSA-N	1	0	353.894	1.967	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnc4cc[nH]cc-4c3=O)C[C@@H]21	ZINC001084950257	918693730	/nfs/dbraw/zinc/69/37/30/918693730.db2.gz	MWOIXUDJQZYJTO-KDOFPFPSSA-N	1	0	350.422	1.483	20	30		FDEDRO
CN1C[C@@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4cccc(C#N)c4)[C@H]3C2)CC1=O	ZINC001084952981	918731494	/nfs/dbraw/zinc/73/14/94/918731494.db2.gz	OETNXGVCVKNECM-QYZOEREBSA-N	1	0	366.465	1.459	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CCCNC4=O)C[C@@H]32)cc1	ZINC001084964682	918925249	/nfs/dbraw/zinc/92/52/49/918925249.db2.gz	KYQUZJXDNLUYME-QYZOEREBSA-N	1	0	366.465	1.507	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnc4sccn4c3=O)C[C@@H]21	ZINC001084983998	919200583	/nfs/dbraw/zinc/20/05/83/919200583.db2.gz	XMRNMHCRELGGLV-HIFRSBDPSA-N	1	0	356.451	1.316	20	30		FDEDRO
CN(c1ccc(OCC[NH+](C)C)cc1)S(=O)(=O)c1ccc(C#N)nc1	ZINC000732223196	919269927	/nfs/dbraw/zinc/26/99/27/919269927.db2.gz	OSZJNRDHPLWQQE-UHFFFAOYSA-N	1	0	360.439	1.719	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC1	ZINC000732280689	919304373	/nfs/dbraw/zinc/30/43/73/919304373.db2.gz	PNYVWZHGVHQTBC-MRXNPFEDSA-N	1	0	353.466	1.421	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4cncn4)nc3)C[C@@H]21	ZINC001085002544	919490267	/nfs/dbraw/zinc/49/02/67/919490267.db2.gz	ONWQBWHYPRIURC-WBVHZDCISA-N	1	0	352.442	1.775	20	30		FDEDRO
CN1C[C@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4cccc(C#N)c4)[C@H]3C2)NC1=O	ZINC001085006483	919575563	/nfs/dbraw/zinc/57/55/63/919575563.db2.gz	BDRVSHUKVNATCZ-KURKYZTESA-N	1	0	367.453	1.005	20	30		FDEDRO
CCC[NH+]1CCC(N(C)C(=O)NCCNC(=O)C2N=CC=CC2=O)CC1	ZINC000732466633	919652215	/nfs/dbraw/zinc/65/22/15/919652215.db2.gz	QEVJZHZLIGYNNV-MSUUIHNZSA-N	1	0	363.462	1.029	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)[C@H]2C1	ZINC001085023556	919788472	/nfs/dbraw/zinc/78/84/72/919788472.db2.gz	JWVHTHSJOKBWTK-GQIGUUNPSA-N	1	0	361.486	1.661	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3CC[N@@H+](CCc4cnn(C)c4)[C@H]3C2)c1	ZINC001085027817	919812775	/nfs/dbraw/zinc/81/27/75/919812775.db2.gz	QTVIEEFMLMGBRT-QUCCMNQESA-N	1	0	363.465	1.576	20	30		FDEDRO
C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@H+](C[C@@H]4CCS(=O)(=O)C4)[C@H]3C2)C1	ZINC001085027147	919829804	/nfs/dbraw/zinc/82/98/04/919829804.db2.gz	NYPPRZGMYIQZEB-BBWFWOEESA-N	1	0	366.527	1.700	20	30		FDEDRO
C[C@]1(C(=O)N2CC[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)[C@H]3C2)CCNC1=O	ZINC001085030826	919875766	/nfs/dbraw/zinc/87/57/66/919875766.db2.gz	USDUWJKDYKNFKL-LQWHRVPQSA-N	1	0	366.465	1.507	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCCC4)O3)C[C@@H]21	ZINC001085031595	919887393	/nfs/dbraw/zinc/88/73/93/919887393.db2.gz	GCLCQTVDCMHKRM-HCXYKTFWSA-N	1	0	373.497	1.103	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4nnnn4CC3)C[C@@H]21	ZINC001085038628	919935590	/nfs/dbraw/zinc/93/55/90/919935590.db2.gz	ALDVWGSITNOLSX-ZACQAIPSSA-N	1	0	358.490	1.515	20	30		FDEDRO
C[N@@H+]1C[C@H](C(=O)N2CC[C@H]3CCN(CC#N)[C@H]3C2)[C@@H](c2ccccc2)C1	ZINC001085040196	919991286	/nfs/dbraw/zinc/99/12/86/919991286.db2.gz	UFFARWAEDFLIKJ-ZRNYENFQSA-N	1	0	352.482	1.778	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CCS(=O)(=O)CC3)C[C@@H]21	ZINC001085047956	920051935	/nfs/dbraw/zinc/05/19/35/920051935.db2.gz	XPMVBVWLYDBNRX-WBVHZDCISA-N	1	0	354.516	1.700	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1	ZINC000732778910	920127526	/nfs/dbraw/zinc/12/75/26/920127526.db2.gz	FUFULGJRNRGRQN-IBGZPJMESA-N	1	0	368.481	1.548	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCc3cnn(C)c3)[C@H]2C1	ZINC001085054485	920168800	/nfs/dbraw/zinc/16/88/00/920168800.db2.gz	GPTWEIWXCLYFNY-FYQPLNBISA-N	1	0	372.513	1.867	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@]3(C)CCCS3(=O)=O)C[C@@H]21	ZINC001085055096	920176858	/nfs/dbraw/zinc/17/68/58/920176858.db2.gz	OTMPBQHCCIMGQN-RYRKJORJSA-N	1	0	354.516	1.843	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4n[nH]c(=O)n4c3)C[C@@H]21	ZINC001085055628	920182365	/nfs/dbraw/zinc/18/23/65/920182365.db2.gz	RGGDBHRMLYPFMN-ZBFHGGJFSA-N	1	0	355.442	1.938	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(-n4cncn4)n3)C[C@@H]21	ZINC001085066024	920375386	/nfs/dbraw/zinc/37/53/86/920375386.db2.gz	YTBQLVAWALKBQY-WBVHZDCISA-N	1	0	352.442	1.775	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCCS(=O)(=O)C3)C[C@@H]21	ZINC001085069604	920436509	/nfs/dbraw/zinc/43/65/09/920436509.db2.gz	WQYQVRHOODFBIM-BBWFWOEESA-N	1	0	354.516	1.700	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](CCc4ccnn4C)[C@H]3C2)cn1	ZINC001085078186	920539935	/nfs/dbraw/zinc/53/99/35/920539935.db2.gz	HIDCXQPYIGLXIO-UZLBHIALSA-N	1	0	363.465	1.576	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c(c3)C(=O)NC4=O)C[C@@H]21	ZINC001085078022	920587122	/nfs/dbraw/zinc/58/71/22/920587122.db2.gz	WHWVGFWHWXNCAW-DYVFJYSZSA-N	1	0	351.406	1.130	20	30		FDEDRO
Cc1c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)s2)nnn1C	ZINC001085158632	921868810	/nfs/dbraw/zinc/86/88/10/921868810.db2.gz	NBOMNUGVYXYEQX-HUUCEWRRSA-N	1	0	358.471	1.888	20	30		FDEDRO
CCc1nnc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C#N)c[nH]2)[nH]1	ZINC001085162172	921905429	/nfs/dbraw/zinc/90/54/29/921905429.db2.gz	FZONJHAWMKQHNM-MRVWCRGKSA-N	1	0	355.446	1.959	20	30		FDEDRO
CCn1cc(CC[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C#N)c[nH]2)cn1	ZINC001085162739	921906348	/nfs/dbraw/zinc/90/63/48/921906348.db2.gz	ZGNIFKUCGQGCCL-IAGOWNOFSA-N	1	0	354.458	1.976	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Nc1cc(Cl)ccc1N1CCOCC1	ZINC000823674975	921996830	/nfs/dbraw/zinc/99/68/30/921996830.db2.gz	MLAUEFVQJVXMJG-UHFFFAOYSA-N	1	0	350.850	1.863	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1COCCN1C	ZINC001085175661	922000764	/nfs/dbraw/zinc/00/07/64/922000764.db2.gz	WZLLZKJGMOJKKK-MGPQQGTHSA-N	1	0	360.296	1.243	20	30		FDEDRO
C=CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1	ZINC000282647570	922187821	/nfs/dbraw/zinc/18/78/21/922187821.db2.gz	QIASOCSIZXHBEI-UHFFFAOYSA-N	1	0	352.442	1.771	20	30		FDEDRO
Cc1nn(C)c(C)c1C(=NNC(=S)NCCC[NH+](C)C)C(F)(F)F	ZINC000733901771	922476981	/nfs/dbraw/zinc/47/69/81/922476981.db2.gz	UNWVHOGKNNUMAM-UHFFFAOYSA-N	1	0	364.441	1.719	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CCN3c2ccnc(C#N)n2)CC[N@@H+]1C	ZINC001066201653	922620579	/nfs/dbraw/zinc/62/05/79/922620579.db2.gz	FISFCLXWEULMBX-LVQVYYBASA-N	1	0	354.458	1.258	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCCC(=O)N2)cc1	ZINC001085236723	923025685	/nfs/dbraw/zinc/02/56/85/923025685.db2.gz	NTQONYRGHLSMMS-KZNAEPCWSA-N	1	0	354.454	1.744	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC(=O)N1	ZINC001085236651	923026461	/nfs/dbraw/zinc/02/64/61/923026461.db2.gz	KFYBBWYYIWYCKD-JHJVBQTASA-N	1	0	358.280	1.581	20	30		FDEDRO
N#C[C@H]1CN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CCN1C1CC1	ZINC000734282351	923173663	/nfs/dbraw/zinc/17/36/63/923173663.db2.gz	DUMNNZOQTMHVEA-ROUUACIJSA-N	1	0	361.490	1.012	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCC(=O)NC2)s1	ZINC001085253720	923218099	/nfs/dbraw/zinc/21/80/99/923218099.db2.gz	CHPLYQOAOGCUGW-DAXOMENPSA-N	1	0	360.483	1.663	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN2CCCNC2=O)c1	ZINC001085257882	923242224	/nfs/dbraw/zinc/24/22/24/923242224.db2.gz	DUYGZCWJOAASTM-QZTJIDSGSA-N	1	0	369.469	1.491	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccnnc2C)C1=O	ZINC001085260942	923265802	/nfs/dbraw/zinc/26/58/02/923265802.db2.gz	OAPRGZGRMOKBQY-BRWVUGGUSA-N	1	0	357.458	1.203	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(C(N)=O)o1	ZINC001085267894	923336592	/nfs/dbraw/zinc/33/65/92/923336592.db2.gz	WCDAGTWMCMHBPX-GHMZBOCLSA-N	1	0	370.247	1.918	20	30		FDEDRO
C=CC[C@H](NC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1)c1ccncc1	ZINC000734683556	923581686	/nfs/dbraw/zinc/58/16/86/923581686.db2.gz	NSOYVULNQVGOPU-SFHVURJKSA-N	1	0	373.501	1.894	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCOCC2)cc1	ZINC001085293542	923610617	/nfs/dbraw/zinc/61/06/17/923610617.db2.gz	NVDYAMROOUMUTA-RTBURBONSA-N	1	0	369.465	1.157	20	30		FDEDRO
N#CCn1cc(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)cn1	ZINC000735037301	923946951	/nfs/dbraw/zinc/94/69/51/923946951.db2.gz	FRGBEDBAFARFPB-UHFFFAOYSA-N	1	0	352.442	1.948	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnc(OC)n1	ZINC001085338087	924020642	/nfs/dbraw/zinc/02/06/42/924020642.db2.gz	MDSRBLAXWQWPRB-VQHPVUNQSA-N	1	0	360.458	1.593	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnn(C)c2)nn1	ZINC001085358677	924171328	/nfs/dbraw/zinc/17/13/28/924171328.db2.gz	MSUHMIRCMHFQNZ-HZPDHXFCSA-N	1	0	357.462	1.419	20	30		FDEDRO
C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@@H](C)N1CC#N	ZINC000826715417	924298835	/nfs/dbraw/zinc/29/88/35/924298835.db2.gz	LXOOXYHBGOQMAG-ZACQAIPSSA-N	1	0	363.506	1.115	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21	ZINC000826804655	924317961	/nfs/dbraw/zinc/31/79/61/924317961.db2.gz	QNOTWDVPUZELHL-BFYDXBDKSA-N	1	0	354.458	1.402	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC(=O)N1	ZINC001085399108	924450702	/nfs/dbraw/zinc/45/07/02/924450702.db2.gz	RGAIGYZOPAOULI-ZACQAIPSSA-N	1	0	358.417	1.493	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3CN(c4cnc(C#N)cn4)C[C@H]32)CC[N@@H+]1C	ZINC001066252931	924512251	/nfs/dbraw/zinc/51/22/51/924512251.db2.gz	AUFYFOJSFFTPKJ-DZJNRPSUSA-N	1	0	368.485	1.506	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]3CN(c4ccc(C#N)nn4)C[C@H]32)CC[N@@H+]1C	ZINC001066253243	924540313	/nfs/dbraw/zinc/54/03/13/924540313.db2.gz	OVZOPCZLAQJWCA-YALNPMBYSA-N	1	0	354.458	1.116	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)COC(=O)COc2ccc(C#N)cc2)CC1	ZINC000735960390	924703739	/nfs/dbraw/zinc/70/37/39/924703739.db2.gz	QLOXKQVVBJUAGC-UHFFFAOYSA-N	1	0	359.426	1.469	20	30		FDEDRO
C[NH+](C)[C@@H]1CCCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1	ZINC000738143700	925102406	/nfs/dbraw/zinc/10/24/06/925102406.db2.gz	HFNJOZSUFIOTHP-VQIMIIECSA-N	1	0	355.442	1.309	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCCn2ccnc2C)[C@@H](n2ccnn2)C1	ZINC001129322725	925287357	/nfs/dbraw/zinc/28/73/57/925287357.db2.gz	WNGUGVGJYBOOAH-MSOLQXFVSA-N	1	0	371.489	1.571	20	30		FDEDRO
COCC(=O)NC1CC[NH+](Cn2c(C)nnc2-c2cccc(C#N)c2)CC1	ZINC000739837224	925315050	/nfs/dbraw/zinc/31/50/50/925315050.db2.gz	LRCYATCYSGMKHZ-UHFFFAOYSA-N	1	0	368.441	1.310	20	30		FDEDRO
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1	ZINC000739915920	925323520	/nfs/dbraw/zinc/32/35/20/925323520.db2.gz	UIHWHPMBMFACJR-RTBURBONSA-N	1	0	356.470	1.484	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCc1cnn(CC)c1	ZINC001085868878	925356018	/nfs/dbraw/zinc/35/60/18/925356018.db2.gz	BSPKTVYSFPKSFN-FHWLQOOXSA-N	1	0	360.502	1.959	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000740735939	925420107	/nfs/dbraw/zinc/42/01/07/925420107.db2.gz	WAOBFCRHHZSUFK-UHFFFAOYSA-N	1	0	372.425	1.319	20	30		FDEDRO
C=CCN1CCO[C@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1	ZINC001108231139	925709127	/nfs/dbraw/zinc/70/91/27/925709127.db2.gz	MBYKKAVGQBWNME-SVFBPWRDSA-N	1	0	357.498	1.725	20	30		FDEDRO
N#CCn1c(CN2CC[C@@H](C[NH+]3CCOCC3)C2)nc2ccccc2c1=O	ZINC000741810027	925862944	/nfs/dbraw/zinc/86/29/44/925862944.db2.gz	UYAYAYASGZAOGL-INIZCTEOSA-N	1	0	367.453	1.074	20	30		FDEDRO
COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1C#N	ZINC001086083372	925918301	/nfs/dbraw/zinc/91/83/01/925918301.db2.gz	WNVCWVNURRIVON-SLBVQIDZSA-N	1	0	358.398	1.216	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CCNc3ccnc(C#N)n3)C2)CC[N@@H+]1C	ZINC001066393942	925985663	/nfs/dbraw/zinc/98/56/63/925985663.db2.gz	OTFASVDAFZYGHI-OWCLPIDISA-N	1	0	356.474	1.151	20	30		FDEDRO
C[C@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1cccc(NS(C)(=O)=O)c1	ZINC000742722871	926153538	/nfs/dbraw/zinc/15/35/38/926153538.db2.gz	AAOUODXDGXTCHP-LBPRGKRZSA-N	1	0	370.438	1.823	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)CCN(C)c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129327209	926240770	/nfs/dbraw/zinc/24/07/70/926240770.db2.gz	QENDHWZCKWGZEU-MOPGFXCFSA-N	1	0	368.485	1.722	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(CO)ccc2F)C1	ZINC001086202303	926287518	/nfs/dbraw/zinc/28/75/18/926287518.db2.gz	SCKXOTLCZWSVFL-XZKMEQPCSA-N	1	0	362.445	1.894	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)c2nncn2C)C1	ZINC001086220581	926326395	/nfs/dbraw/zinc/32/63/95/926326395.db2.gz	HCCRYHOZTMAARJ-NRKLIOEPSA-N	1	0	361.490	1.732	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCc2cnn(CC)c2)C1	ZINC001086223198	926352538	/nfs/dbraw/zinc/35/25/38/926352538.db2.gz	DQKJNFMTOMZQRJ-RDGPPVDQSA-N	1	0	360.502	1.911	20	30		FDEDRO
N#Cc1ccccc1CN1C(=O)CN(C[N@@H+]2CCC3(C2)CCOCC3)C1=O	ZINC000743405850	926355919	/nfs/dbraw/zinc/35/59/19/926355919.db2.gz	PUURWGOVSHDOIX-UHFFFAOYSA-N	1	0	368.437	1.782	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)CC1	ZINC000743490967	926378234	/nfs/dbraw/zinc/37/82/34/926378234.db2.gz	ALDMOIVMNCSUBG-UHFFFAOYSA-N	1	0	355.442	1.198	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cc(N3CCNC3=O)ccc2F)CC1	ZINC000743492327	926378446	/nfs/dbraw/zinc/37/84/46/926378446.db2.gz	UFIORGCOGDGHJF-UHFFFAOYSA-N	1	0	358.417	1.573	20	30		FDEDRO
C#CCN(CC#CC)CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1	ZINC000743853042	926475842	/nfs/dbraw/zinc/47/58/42/926475842.db2.gz	PAHZBJMYLUZEFO-UHFFFAOYSA-N	1	0	351.494	1.988	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1	ZINC001066497792	926708855	/nfs/dbraw/zinc/70/88/55/926708855.db2.gz	SJKKHIDRAFOPMD-ZACQAIPSSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CCCO[C@H]3C=C)C2)C1=O	ZINC001086369356	926865230	/nfs/dbraw/zinc/86/52/30/926865230.db2.gz	DAJAVOUOQRKRGI-DZVNLGKHSA-N	1	0	361.486	1.239	20	30		FDEDRO
N#CCOc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@]34C[C@H]3COC4)C2)cc1	ZINC001086372080	926894753	/nfs/dbraw/zinc/89/47/53/926894753.db2.gz	OOFKWZVURCDORG-BOSXTWCSSA-N	1	0	355.438	1.610	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(C#N)[nH]2)C1	ZINC001006303604	927027549	/nfs/dbraw/zinc/02/75/49/927027549.db2.gz	KWVLMYSLDVYVST-OIISXLGYSA-N	1	0	369.469	1.480	20	30		FDEDRO
C=C(Br)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1	ZINC001086400665	927058033	/nfs/dbraw/zinc/05/80/33/927058033.db2.gz	RDQIGXPUBWLMAW-AAVRWANBSA-N	1	0	360.296	1.099	20	30		FDEDRO
C#CCN(CC#CC)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1	ZINC000745484616	927260641	/nfs/dbraw/zinc/26/06/41/927260641.db2.gz	WJVKYPBDTXHEHN-UHFFFAOYSA-N	1	0	353.470	1.392	20	30		FDEDRO
Cc1ccc(NC(=O)CCNC(=O)C2N=CC=CC2=O)c(C[NH+](C)C)c1	ZINC000746021454	927544513	/nfs/dbraw/zinc/54/45/13/927544513.db2.gz	BULWLGFCEUJMMU-VHEBQXMUSA-N	1	0	356.426	1.912	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCCN(C)C2=O)C1	ZINC001086500166	927660596	/nfs/dbraw/zinc/66/05/96/927660596.db2.gz	OXTCCWJHYALQNO-TXTZMMAHSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)c2nnc(CC)[nH]2)C1	ZINC001086503595	927709508	/nfs/dbraw/zinc/70/95/08/927709508.db2.gz	BQQUAXLUQXLCOR-BWJWTDLKSA-N	1	0	361.490	1.894	20	30		FDEDRO
C#CCOCCOCC[NH2+][C@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1	ZINC001168910726	928178714	/nfs/dbraw/zinc/17/87/14/928178714.db2.gz	ZVZDTCOKEBGLOS-SFHVURJKSA-N	1	0	360.454	1.442	20	30		FDEDRO
COc1ccc(CN2CC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NO)CC2=O)cc1	ZINC001168919669	928182979	/nfs/dbraw/zinc/18/29/79/928182979.db2.gz	HNUNGLDLPOMKHQ-WBVHZDCISA-N	1	0	363.458	1.696	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cn1cc2c(c(C#N)c1=O)CCC2	ZINC000766630863	928362858	/nfs/dbraw/zinc/36/28/58/928362858.db2.gz	BEWRVUYRYDWOLY-LZQZEXGQSA-N	1	0	356.470	1.350	20	30		FDEDRO
C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@H]1CC[C@@H](C(=O)OCC)OC1)C2	ZINC001169320814	928419842	/nfs/dbraw/zinc/41/98/42/928419842.db2.gz	JAYISSMTRRHGGM-RYRKJORJSA-N	1	0	360.454	1.592	20	30		FDEDRO
Cc1ccc(C(=Nc2ccc([C@@H]3CC4(C[NH2+]C4)C(=O)N3)cc2)NO)nc1	ZINC001169408094	928512372	/nfs/dbraw/zinc/51/23/72/928512372.db2.gz	GHKJJOOEROAPQP-INIZCTEOSA-N	1	0	351.410	1.598	20	30		FDEDRO
Cc1ccc(C(=NO)Nc2cccc3nc([C@H]4C[NH2+]CCO4)cn32)nc1	ZINC001169411908	928607898	/nfs/dbraw/zinc/60/78/98/928607898.db2.gz	KXCJJTBYUDBAJT-OAHLLOKOSA-N	1	0	352.398	1.947	20	30		FDEDRO
COc1ccc(C(=NO)Nc2cncc([C@H]3C[NH+]4CCC3CC4)n2)nc1	ZINC001169600171	928773445	/nfs/dbraw/zinc/77/34/45/928773445.db2.gz	NRUXJINMDMYKKC-AWEZNQCLSA-N	1	0	354.414	1.937	20	30		FDEDRO
COc1ccc(C(=NO)Nc2cccc3c2NC(=O)C32CC[NH2+]CC2)nc1	ZINC001169608880	928788744	/nfs/dbraw/zinc/78/87/44/928788744.db2.gz	XEVSSCHDYURQRJ-UHFFFAOYSA-N	1	0	367.409	1.911	20	30		FDEDRO
C#CCCN(CC(F)(F)F)C(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1	ZINC000767154443	929127233	/nfs/dbraw/zinc/12/72/33/929127233.db2.gz	KPPQBHGBBISDFH-HUUCEWRRSA-N	1	0	373.419	1.733	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cccc(OC)n2)[C@@H](n2ccnn2)C1	ZINC001129359697	929156575	/nfs/dbraw/zinc/15/65/75/929156575.db2.gz	NHCCDLPJOKAWEK-UAGQMJEPSA-N	1	0	370.457	1.692	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H](C)Cc2cnn(C)c2)[C@@H](n2ccnn2)C1	ZINC001129365607	929273749	/nfs/dbraw/zinc/27/37/49/929273749.db2.gz	FAEONXZURYIHLH-NXHRZFHOSA-N	1	0	371.489	1.198	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC23CCCC3)[C@@H](n2ccnn2)C1	ZINC001129370391	929361177	/nfs/dbraw/zinc/36/11/77/929361177.db2.gz	RIJJJUGVCUFYTQ-ZACQAIPSSA-N	1	0	359.474	1.403	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCn2cncn2)C3)cc1	ZINC001108935957	929529728	/nfs/dbraw/zinc/52/97/28/929529728.db2.gz	LIMKKPJVKFTAKJ-SQNIBIBYSA-N	1	0	350.426	1.462	20	30		FDEDRO
Cc1ncsc1CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSCC#N)C2	ZINC001108952039	929568303	/nfs/dbraw/zinc/56/83/03/929568303.db2.gz	MUKOGVHLVDOEBW-RDBSUJKOSA-N	1	0	350.513	1.972	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O	ZINC000769841546	929718165	/nfs/dbraw/zinc/71/81/65/929718165.db2.gz	FEVLODFDMCEZRA-CYBMUJFWSA-N	1	0	353.344	1.540	20	30		FDEDRO
COC[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)CCOC1	ZINC001109568271	929774546	/nfs/dbraw/zinc/77/45/46/929774546.db2.gz	NXJQBHUOZKHSMN-JKBKZWBZSA-N	1	0	369.465	1.833	20	30		FDEDRO
COC[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)CCOC1	ZINC001109568272	929774663	/nfs/dbraw/zinc/77/46/63/929774663.db2.gz	NXJQBHUOZKHSMN-XODKDNOYSA-N	1	0	369.465	1.833	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](OCC)C1CCOCC1)C2	ZINC001109568578	929775468	/nfs/dbraw/zinc/77/54/68/929775468.db2.gz	XOSJLNFVFVJHOK-XWSJACJDSA-N	1	0	366.502	1.742	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCC(F)(F)F	ZINC001109604297	929926833	/nfs/dbraw/zinc/92/68/33/929926833.db2.gz	BZIZVZDWONXZMV-RFGFWPKPSA-N	1	0	364.408	1.860	20	30		FDEDRO
C#CCCC[NH2+][C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1	ZINC001170014187	929982486	/nfs/dbraw/zinc/98/24/86/929982486.db2.gz	NKRPRLPCWDKXBM-CABCVRRESA-N	1	0	367.515	1.900	20	30		FDEDRO
C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](O)COCCOC)CC1	ZINC001109681783	930121835	/nfs/dbraw/zinc/12/18/35/930121835.db2.gz	HVKFZALVSPCPFJ-BDXSIMOUSA-N	1	0	366.502	1.478	20	30		FDEDRO
COc1ccc(C#N)cc1CONC(N)=C1C(=[NH2+])C2(CCCC2)N(C)C1=O	ZINC000770689524	930203741	/nfs/dbraw/zinc/20/37/41/930203741.db2.gz	ROUYCDGSWFUJMF-UHFFFAOYSA-N	1	0	369.425	1.563	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C2	ZINC001109734199	930273728	/nfs/dbraw/zinc/27/37/28/930273728.db2.gz	OAXXSCFIZJSCPO-OWSLCNJRSA-N	1	0	362.518	1.249	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(OCC)c1)C2	ZINC001109762684	930357129	/nfs/dbraw/zinc/35/71/29/930357129.db2.gz	AKELMAIFBCSDNN-NJAFHUGGSA-N	1	0	357.454	1.723	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COC2CCOCC2)C3)c1	ZINC001109782726	930406135	/nfs/dbraw/zinc/40/61/35/930406135.db2.gz	TVLWBJOTCISGDI-HOJAQTOUSA-N	1	0	369.465	1.975	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCOC	ZINC001109819303	930501967	/nfs/dbraw/zinc/50/19/67/930501967.db2.gz	DMFNMMSPYOBONM-BCYZHJNNSA-N	1	0	366.502	1.742	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCN2CCOCC2)C3)cc1	ZINC001109848169	930588698	/nfs/dbraw/zinc/58/86/98/930588698.db2.gz	ZOSZJLVQPVAKNY-AABGKKOBSA-N	1	0	368.481	1.502	20	30		FDEDRO
C#CC1([NH2+][C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)CC1	ZINC001170026452	930631562	/nfs/dbraw/zinc/63/15/62/930631562.db2.gz	NHTJXYLGVOMKOM-KBPBESRZSA-N	1	0	365.499	1.653	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3c(cnn3C)c1)C2	ZINC001109882699	930662832	/nfs/dbraw/zinc/66/28/32/930662832.db2.gz	LLDCGTHUJHPPDE-IKGGRYGDSA-N	1	0	355.442	1.506	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3cncn3)n1)C2	ZINC001109904434	930722164	/nfs/dbraw/zinc/72/21/64/930722164.db2.gz	OJNBQWJYBQISTD-PVAVHDDUSA-N	1	0	368.441	1.200	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000772110291	931080223	/nfs/dbraw/zinc/08/02/23/931080223.db2.gz	PPPBRTVIUDJKQZ-GOSISDBHSA-N	1	0	351.406	1.552	20	30		FDEDRO
CNC(=O)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)CCC1	ZINC001110021145	931125737	/nfs/dbraw/zinc/12/57/37/931125737.db2.gz	ZVDSIWQGSJYHSQ-SQNIBIBYSA-N	1	0	366.465	1.696	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](CCCC)C(N)=O	ZINC001110034687	931155957	/nfs/dbraw/zinc/15/59/57/931155957.db2.gz	JOFPNSZOPQQEQB-FYQPLNBISA-N	1	0	367.493	1.976	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)NC(=O)c1ccccc1)C2	ZINC001110067908	931373286	/nfs/dbraw/zinc/37/32/86/931373286.db2.gz	NMPAAPOOCFUGCA-NQYYFHDYSA-N	1	0	371.481	1.729	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ccc(C(F)(F)F)n1)C2	ZINC001110073051	931380949	/nfs/dbraw/zinc/38/09/49/931380949.db2.gz	DDNALSQCVKKHOH-RDBSUJKOSA-N	1	0	372.391	1.826	20	30		FDEDRO
C[C@H](O)C[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@@H](C)CO	ZINC000785537235	931443301	/nfs/dbraw/zinc/44/33/01/931443301.db2.gz	PGLALVSIHHGQBZ-YDHLFZDLSA-N	1	0	354.410	1.287	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)NCc1ccccc1C[NH+](CC)CC)[C@H]1CCCO1	ZINC000785574641	931515646	/nfs/dbraw/zinc/51/56/46/931515646.db2.gz	PXPXIAJCPNUNRP-RTBURBONSA-N	1	0	371.481	1.442	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CCCO1	ZINC000785581247	931518300	/nfs/dbraw/zinc/51/83/00/931518300.db2.gz	UHBZNZFRMORMNC-MOPGFXCFSA-N	1	0	369.465	1.196	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc(-n3cncn3)n1)C2	ZINC001112553802	931535548	/nfs/dbraw/zinc/53/55/48/931535548.db2.gz	KEJXTFCQPZHLMX-KXBFYZLASA-N	1	0	350.426	1.127	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cccc(C[NH+]2CCCC2)c1	ZINC000785719854	931563190	/nfs/dbraw/zinc/56/31/90/931563190.db2.gz	GSNPRZGVWWKAGJ-CQSZACIVSA-N	1	0	359.426	1.840	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)N1CC[C@H](C)C1)C2	ZINC001112559845	931566347	/nfs/dbraw/zinc/56/63/47/931566347.db2.gz	RXTCYBRKQJDIPK-YEWWUXTCSA-N	1	0	353.894	1.826	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn(C3CCOCC3)nn1)C2	ZINC001112558626	931578977	/nfs/dbraw/zinc/57/89/77/931578977.db2.gz	PQMGRNOBXYCTDH-JXFKEZNVSA-N	1	0	371.485	1.485	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CCCS(=O)(=O)C1)C2	ZINC001112559451	931584294	/nfs/dbraw/zinc/58/42/94/931584294.db2.gz	XTCUUUWMTDIZPP-BQFCYCMXSA-N	1	0	354.516	1.606	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C)CC(F)(F)C1)C2	ZINC001112561714	931590125	/nfs/dbraw/zinc/59/01/25/931590125.db2.gz	OIXFKXQWHITFNF-KSSFIOAISA-N	1	0	369.456	1.942	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC(C)C)C2)nc1	ZINC001112565411	931613715	/nfs/dbraw/zinc/61/37/15/931613715.db2.gz	AFDVTFBZLYLMAS-UWJYYQICSA-N	1	0	368.481	1.419	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCOCCOC)C2)nc1	ZINC001112565794	931614498	/nfs/dbraw/zinc/61/44/98/931614498.db2.gz	SWSGSYJAATWWCF-RXVVDRJESA-N	1	0	371.481	1.558	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNS(=O)(=O)CCCC)C2	ZINC001112570136	931650050	/nfs/dbraw/zinc/65/00/50/931650050.db2.gz	GGUZZWAFRBQNLV-WMZOPIPTSA-N	1	0	371.547	1.500	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1nc3nc(C)cc(C)n3n1)C2	ZINC001112573098	931673306	/nfs/dbraw/zinc/67/33/06/931673306.db2.gz	KNOQRYZYSWKPKS-KXBFYZLASA-N	1	0	352.442	1.206	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)c1cccc(F)c1)C2	ZINC001112574058	931680646	/nfs/dbraw/zinc/68/06/46/931680646.db2.gz	LWFZENXDMXCGOT-UWJYYQICSA-N	1	0	371.456	1.797	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CS(=O)(=O)CCCC)C2	ZINC001112586510	931777007	/nfs/dbraw/zinc/77/70/07/931777007.db2.gz	COLAGRBPDCNTNB-WMZOPIPTSA-N	1	0	356.532	1.996	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)NC(=O)NC)C2	ZINC001112584719	931786601	/nfs/dbraw/zinc/78/66/01/931786601.db2.gz	GOGMMSQGDZGMSG-KXBFYZLASA-N	1	0	350.507	1.879	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCc2ccnn2C)C1	ZINC001112588660	931798277	/nfs/dbraw/zinc/79/82/77/931798277.db2.gz	NWCUDJKJVZUSEP-PXNSSMCTSA-N	1	0	360.502	1.774	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O)[NH+]1CCCCC1	ZINC001090440266	931852551	/nfs/dbraw/zinc/85/25/51/931852551.db2.gz	RZIRRWARDTZBLH-BHIYHBOVSA-N	1	0	371.485	1.129	20	30		FDEDRO
CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCC2)C1	ZINC000786785600	932032984	/nfs/dbraw/zinc/03/29/84/932032984.db2.gz	PAKAGPPYLCCXFG-KFWWJZLASA-N	1	0	350.463	1.784	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC2(CO)CCN(c3ccc(C#N)cn3)CC2)CC[N@@H+]1C	ZINC001112679371	932171487	/nfs/dbraw/zinc/17/14/87/932171487.db2.gz	FDZVGLXAZXOOLD-DLBZAZTESA-N	1	0	371.485	1.131	20	30		FDEDRO
NS(=O)(=O)c1ccc(N=NC2CCOC[C@H]2C[NH+]2CCCCC2)nc1	ZINC000787151362	932198430	/nfs/dbraw/zinc/19/84/30/932198430.db2.gz	CFDWPFSRCRFYDS-CYBMUJFWSA-N	1	0	367.475	1.019	20	30		FDEDRO
N#Cc1cncnc1N(CC[NH3+])S(=O)(=O)c1cccc2cnccc21	ZINC001170070504	932221401	/nfs/dbraw/zinc/22/14/01/932221401.db2.gz	CIRMQUIFVWLZMP-UHFFFAOYSA-N	1	0	354.395	1.050	20	30		FDEDRO
C=CCN(C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)C(C)C	ZINC000787740093	932403768	/nfs/dbraw/zinc/40/37/68/932403768.db2.gz	WGNWKZUNNYWZLC-LJQANCHMSA-N	1	0	372.513	1.514	20	30		FDEDRO
CCN1CC[NH+](CCCCNC(=O)NCc2ccc(OC)c(C#N)c2)CC1	ZINC000746713381	932459908	/nfs/dbraw/zinc/45/99/08/932459908.db2.gz	RBNXLFDXNFNWEW-UHFFFAOYSA-N	1	0	373.501	1.784	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=S)NCC2CC[NH+](C)CC2)n1	ZINC000788332012	932644959	/nfs/dbraw/zinc/64/49/59/932644959.db2.gz	NRCQNQDJDYJNHT-UHFFFAOYSA-N	1	0	363.531	1.181	20	30		FDEDRO
C[NH+](C)[C@H]1CCCC(N=Nc2ccc(S(=O)(=O)NC3CC3)cn2)C1	ZINC000788424321	932691694	/nfs/dbraw/zinc/69/16/94/932691694.db2.gz	GMJFZACUTBWMHI-AWEZNQCLSA-N	1	0	351.476	1.794	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CN(C)CCO2)C1	ZINC001086580655	933278734	/nfs/dbraw/zinc/27/87/34/933278734.db2.gz	OEOCDHRMZQXIAY-ZCNNSNEGSA-N	1	0	357.498	1.867	20	30		FDEDRO
C#CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1	ZINC001086588971	933625257	/nfs/dbraw/zinc/62/52/57/933625257.db2.gz	YYOJTMKLRFMQJK-AZUAARDMSA-N	1	0	365.481	1.276	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2CCCNC2=O)C1	ZINC001086596817	933938815	/nfs/dbraw/zinc/93/88/15/933938815.db2.gz	VRPBJFHCIGJJSJ-ZWKOTPCHSA-N	1	0	356.470	1.562	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CCC(C(N)=O)CC2)C1	ZINC001086596380	933942517	/nfs/dbraw/zinc/94/25/17/933942517.db2.gz	YICNSQGPONVPEG-GHBBCFCZSA-N	1	0	367.493	1.886	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(C(N)=O)o2)C1	ZINC001086598419	933993225	/nfs/dbraw/zinc/99/32/25/933993225.db2.gz	HCCONRKZIFXSRQ-JKSUJKDBSA-N	1	0	351.406	1.600	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[C@H]1CCCO1	ZINC000793932076	938341013	/nfs/dbraw/zinc/34/10/13/938341013.db2.gz	SAYKUEGNRVIMLT-OQIJWPOYSA-N	1	0	369.465	1.235	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(C(=O)NC)nc2)C1	ZINC001086619903	938358178	/nfs/dbraw/zinc/35/81/78/938358178.db2.gz	NGVICXUWCXOYOH-PKOBYXMFSA-N	1	0	364.449	1.825	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)COc2ccccc2C)[C@@H](n2ccnn2)C1	ZINC001129412153	938407500	/nfs/dbraw/zinc/40/75/00/938407500.db2.gz	KXIJVQXAMDSGFH-MSOLQXFVSA-N	1	0	369.469	1.973	20	30		FDEDRO
C#CCNc1nc(NC[C@@H]2CCCCO2)[nH+]c(NC[C@@H]2CCCCO2)n1	ZINC000804376012	938414694	/nfs/dbraw/zinc/41/46/94/938414694.db2.gz	CXPSAASBNFQMDA-GJZGRUSLSA-N	1	0	360.462	1.879	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cn(C)nc2C(C)C)[C@@H](n2ccnn2)C1	ZINC001129437669	938424733	/nfs/dbraw/zinc/42/47/33/938424733.db2.gz	DGJWALXLCVJMEQ-SJORKVTESA-N	1	0	371.489	1.757	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@@H]1n1ccnn1	ZINC001129476217	938431894	/nfs/dbraw/zinc/43/18/94/938431894.db2.gz	AAYRTXCYLBEOCM-CABCVRRESA-N	1	0	369.416	1.258	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COc3ccccc32)[C@@H](n2ccnn2)C1	ZINC001129484690	938439825	/nfs/dbraw/zinc/43/98/25/938439825.db2.gz	AVPBVKAWXKWWKM-KURKYZTESA-N	1	0	367.453	1.762	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2C)C[C@@H]1n1ccnn1	ZINC001129598185	938461745	/nfs/dbraw/zinc/46/17/45/938461745.db2.gz	DIINIVHQJQAGFN-XYPHTWIQSA-N	1	0	357.462	1.330	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]([NH2+]Cc2ccc(CC)cc2)[C@@H](n2ccnn2)C1	ZINC001129681593	938484299	/nfs/dbraw/zinc/48/42/99/938484299.db2.gz	VMTHFOLNWYJYAL-MOPGFXCFSA-N	1	0	369.469	1.585	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCCOCC=C)C[C@@H]1n1ccnn1	ZINC001129733043	938496209	/nfs/dbraw/zinc/49/62/09/938496209.db2.gz	LQENIZQMPDFJHY-KSZLIROESA-N	1	0	361.490	1.957	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1n1ccnn1	ZINC001129708964	938499232	/nfs/dbraw/zinc/49/92/32/938499232.db2.gz	YPLYCNUTCQWQJG-SJORKVTESA-N	1	0	359.478	1.556	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccc(F)cn2)C[C@@H]1n1ccnn1	ZINC001129763391	938503632	/nfs/dbraw/zinc/50/36/32/938503632.db2.gz	ZUOMVARIMNNCIT-XYPHTWIQSA-N	1	0	358.421	1.822	20	30		FDEDRO
C=C(Br)C[NH2+]CCNC(=O)[C@@H]1CCCO[C@H]1c1cnn(C)c1	ZINC001129791187	938508080	/nfs/dbraw/zinc/50/80/80/938508080.db2.gz	XAZTXQSQDFBHJG-KGLIPLIRSA-N	1	0	371.279	1.502	20	30		FDEDRO
O=C(NCC[NH2+]CC#Cc1ccccc1)[C@@H]1CCCC[C@@H]1N1CCCC1=O	ZINC001129793944	938508581	/nfs/dbraw/zinc/50/85/81/938508581.db2.gz	MZLPZZGGUFMQRG-UXHICEINSA-N	1	0	367.493	1.925	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H]([NH2+]CC/C=C/CCC)[C@@H](n2ccnn2)C1	ZINC001129795736	938509249	/nfs/dbraw/zinc/50/92/49/938509249.db2.gz	NTMAZMQKQYUMGG-WZUKZFBGSA-N	1	0	361.490	1.693	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1C[C@@H]([NH2+]CCOCC2CC2)[C@@H](n2ccnn2)C1	ZINC001129816603	938520872	/nfs/dbraw/zinc/52/08/72/938520872.db2.gz	FKFGFLBNHAKCNZ-SJORKVTESA-N	1	0	359.474	1.096	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CC2CC3(CCC3)C2)[C@@H](n2ccnn2)C1	ZINC001129829265	938523383	/nfs/dbraw/zinc/52/33/83/938523383.db2.gz	DEQIXGLMUHGUGW-NXHRZFHOSA-N	1	0	371.485	1.238	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2n[nH]cc2C)C[C@@H]1n1ccnn1	ZINC001129829294	938523714	/nfs/dbraw/zinc/52/37/14/938523714.db2.gz	FPHDCTPORSRIQH-CVEARBPZSA-N	1	0	357.462	1.711	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccnn2CC2CCC2)C[C@@H]1n1ccnn1	ZINC001129846082	938525938	/nfs/dbraw/zinc/52/59/38/938525938.db2.gz	WWAFKLSHIAMRRU-AEFFLSMTSA-N	1	0	369.473	1.506	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H](OCC)C2=CCCC2)C[C@@H]1n1ccnn1	ZINC001129850402	938527324	/nfs/dbraw/zinc/52/73/24/938527324.db2.gz	YFPSYMLSRRLMNN-SQNIBIBYSA-N	1	0	357.458	1.158	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3cn[nH]c32)C[C@@H]1n1ccnn1	ZINC001129858221	938529867	/nfs/dbraw/zinc/52/98/67/938529867.db2.gz	RQIFBJXYHOZUEL-ZACQAIPSSA-N	1	0	369.473	1.429	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc3n2[C@H](C)CCC3)C[C@@H]1n1ccnn1	ZINC001129864036	938532016	/nfs/dbraw/zinc/53/20/16/938532016.db2.gz	OHGVXIYBZDJKQC-INMHGKMJSA-N	1	0	369.473	1.603	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]Cc2csc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129834234	938533351	/nfs/dbraw/zinc/53/33/51/938533351.db2.gz	QUTKWRJNAKVOPJ-SJORKVTESA-N	1	0	357.483	1.993	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccncc2C)C[C@@H]1n1ccnn1	ZINC001129834247	938533409	/nfs/dbraw/zinc/53/34/09/938533409.db2.gz	RFDGBFCLOSOPGD-NXHRZFHOSA-N	1	0	354.458	1.992	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]C[C@H]2CC(C)(C)CO2)[C@@H](n2ccnn2)C1	ZINC001129834579	938533632	/nfs/dbraw/zinc/53/36/32/938533632.db2.gz	ZYPGIMYCRSEBTI-ZACQAIPSSA-N	1	0	359.474	1.238	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCOCC2CC2)C[C@@H]1n1ccnn1	ZINC001129838119	938535302	/nfs/dbraw/zinc/53/53/02/938535302.db2.gz	RJZIITZYNXQUSK-NXHRZFHOSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n2ccnn2)C1)OCC	ZINC001129879195	938536562	/nfs/dbraw/zinc/53/65/62/938536562.db2.gz	WVIQXIKXDSUQKU-NTBLUZEKSA-N	1	0	367.881	1.743	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H]([NH2+][C@@H](CCCC)C(N)=O)[C@@H](n2ccnn2)C1	ZINC001129881864	938537914	/nfs/dbraw/zinc/53/79/14/938537914.db2.gz	VYTMKSVNZDCHOZ-XHSDSOJGSA-N	1	0	362.478	1.020	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCOc2cc(C)cc(C)c2)C[C@@H]1n1ccnn1	ZINC001129884049	938538508	/nfs/dbraw/zinc/53/85/08/938538508.db2.gz	IKLMCRNMDLYAEE-MOPGFXCFSA-N	1	0	369.469	1.892	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC(F)(F)C2)C[C@@H]1n1ccnn1	ZINC001129887793	938540511	/nfs/dbraw/zinc/54/05/11/938540511.db2.gz	RGYYNJXAPZMKKK-KFWWJZLASA-N	1	0	351.401	1.468	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(C)=C(C)C2)C[C@@H]1n1ccnn1	ZINC001129871363	938544807	/nfs/dbraw/zinc/54/48/07/938544807.db2.gz	HCMBKMFMIKEYDU-QRVBRYPASA-N	1	0	371.485	1.406	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccnn2C(F)F)C[C@@H]1n1ccnn1	ZINC001129874473	938545719	/nfs/dbraw/zinc/54/57/19/938545719.db2.gz	HVHIWLWNCKMURY-OCCSQVGLSA-N	1	0	365.388	1.491	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccnn2C2CCCC2)C[C@@H]1n1ccnn1	ZINC001129876371	938546696	/nfs/dbraw/zinc/54/66/96/938546696.db2.gz	NUNBVHRZGRXFMU-AEFFLSMTSA-N	1	0	367.457	1.268	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(C)nnc2C)C[C@@H]1n1ccnn1	ZINC001129876316	938546723	/nfs/dbraw/zinc/54/67/23/938546723.db2.gz	KPSYGINWMRRITM-SJORKVTESA-N	1	0	355.446	1.306	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2cn3ccccc3n2)C[C@@H]1n1ccnn1	ZINC001129912706	938551522	/nfs/dbraw/zinc/55/15/22/938551522.db2.gz	WRJCAGHNSQTGAS-SJORKVTESA-N	1	0	365.441	1.086	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2(C(F)(F)F)CCC2)C[C@@H]1n1ccnn1	ZINC001129912766	938551883	/nfs/dbraw/zinc/55/18/83/938551883.db2.gz	ZSDHGHCLHOOESO-OLZOCXBDSA-N	1	0	355.364	1.376	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]([NH2+]CC[C@H](C)F)[C@@H](n2ccnn2)C1	ZINC001129894521	938555656	/nfs/dbraw/zinc/55/56/56/938555656.db2.gz	IORLNIQHAPHPNX-UXLLHSPISA-N	1	0	360.437	1.669	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C)CC(F)F)C[C@@H]1n1ccnn1	ZINC001129941169	938566351	/nfs/dbraw/zinc/56/63/51/938566351.db2.gz	MJWMKMARHBZCOO-MCIONIFRSA-N	1	0	357.405	1.114	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccnc(OC)c2)C[C@@H]1n1ccnn1	ZINC001129923596	938569388	/nfs/dbraw/zinc/56/93/88/938569388.db2.gz	LYJNRWUDFCMMIX-UAGQMJEPSA-N	1	0	370.457	1.692	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc(COC)o2)C[C@@H]1n1ccnn1	ZINC001129926702	938571146	/nfs/dbraw/zinc/57/11/46/938571146.db2.gz	CEUXFVAVBKFGCN-CVEARBPZSA-N	1	0	359.430	1.639	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2nc(Cl)sc2C)C[C@@H]1n1ccnn1	ZINC001129928756	938572203	/nfs/dbraw/zinc/57/22/03/938572203.db2.gz	KEYOWMPQVDYRNN-NEPJUHHUSA-N	1	0	366.878	1.928	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(CCC)n[nH]2)C[C@@H]1n1ccnn1	ZINC001129952405	938575664	/nfs/dbraw/zinc/57/56/64/938575664.db2.gz	RYSJTILBSFTEHQ-OLMNPRSZSA-N	1	0	371.489	1.964	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(OC)cs2)C[C@@H]1n1ccnn1	ZINC001129954641	938576716	/nfs/dbraw/zinc/57/67/16/938576716.db2.gz	XUICEVVZIXVKFW-CABCVRRESA-N	1	0	361.471	1.970	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cccs2)C[C@@H]1n1ccnn1	ZINC001129957320	938577737	/nfs/dbraw/zinc/57/77/37/938577737.db2.gz	YZRWNVMIURQJNZ-CABCVRRESA-N	1	0	357.483	1.682	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]([NH2+]CCOCCC(C)C)[C@@H](n2ccnn2)C1	ZINC001129959271	938577961	/nfs/dbraw/zinc/57/79/61/938577961.db2.gz	PACXAMDHZTZWKY-SJORKVTESA-N	1	0	363.506	1.895	20	30		FDEDRO
CC[C@H](F)C(=O)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129961526	938578658	/nfs/dbraw/zinc/57/86/58/938578658.db2.gz	RCBHYGYHCHUVEP-KSZLIROESA-N	1	0	355.417	1.419	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C)C(F)(F)F)C[C@@H]1n1ccnn1	ZINC001129969135	938586550	/nfs/dbraw/zinc/58/65/50/938586550.db2.gz	FZNGKONMPSVVFT-XQQFMLRXSA-N	1	0	361.368	1.021	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3ccccc3n2C)C[C@@H]1n1ccnn1	ZINC001129980451	938595484	/nfs/dbraw/zinc/59/54/84/938595484.db2.gz	LXGHQQSDZVQELF-APWZRJJASA-N	1	0	362.437	1.448	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OC	ZINC000804879927	938598188	/nfs/dbraw/zinc/59/81/88/938598188.db2.gz	IVYXYZXHLNMTEB-AWEZNQCLSA-N	1	0	369.462	1.115	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]([NH2+]C[C@@H](O)c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129987045	938610392	/nfs/dbraw/zinc/61/03/92/938610392.db2.gz	VNENFYIFPRDGBD-CEXWTWQISA-N	1	0	369.469	1.710	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(F)ccc(F)c2F)C[C@@H]1n1ccnn1	ZINC001129988053	938611230	/nfs/dbraw/zinc/61/12/30/938611230.db2.gz	GLDQJMLLLPHIJQ-KGLIPLIRSA-N	1	0	363.343	1.374	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2c2cc(C)on2)CC1	ZINC000804895342	938611882	/nfs/dbraw/zinc/61/18/82/938611882.db2.gz	IMVRKGTWUOZQBV-KRWDZBQOSA-N	1	0	360.458	1.803	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccncc2Cl)C[C@@H]1n1ccnn1	ZINC001130017716	938618263	/nfs/dbraw/zinc/61/82/63/938618263.db2.gz	VUUUQMBAVWVKJV-CVEARBPZSA-N	1	0	360.849	1.948	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(CC)cc2)C[C@@H]1n1ccnn1	ZINC001130022794	938621099	/nfs/dbraw/zinc/62/10/99/938621099.db2.gz	MOHLQHFYZZYZLD-MOPGFXCFSA-N	1	0	351.454	1.448	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2ccnc(OC)c2)C[C@@H]1n1ccnn1	ZINC001130007594	938624977	/nfs/dbraw/zinc/62/49/77/938624977.db2.gz	MHKLATNPSKVLLT-SJORKVTESA-N	1	0	370.457	1.232	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC/C=C/CCC)[C@@H](n2ccnn2)C1	ZINC001130009567	938626148	/nfs/dbraw/zinc/62/61/48/938626148.db2.gz	WGDIASWUVJHDHL-XQJILKQCSA-N	1	0	373.501	1.957	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)OC2CCCC2)C[C@@H]1n1ccnn1	ZINC001130024188	938628172	/nfs/dbraw/zinc/62/81/72/938628172.db2.gz	MMXTXJYINQGNCW-FGTMMUONSA-N	1	0	359.474	1.381	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc(C3CC3)nc2)C[C@@H]1n1ccnn1	ZINC001130027869	938629840	/nfs/dbraw/zinc/62/98/40/938629840.db2.gz	ACBLXYYNTCMNNE-CVEARBPZSA-N	1	0	353.430	1.177	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2cccnc2)C[C@@H]1n1ccnn1	ZINC001130028505	938630721	/nfs/dbraw/zinc/63/07/21/938630721.db2.gz	ULAMABMQUDRTHN-NXHRZFHOSA-N	1	0	354.458	1.785	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCn2ccnc2C(C)C)C[C@@H]1n1ccnn1	ZINC001130028534	938630770	/nfs/dbraw/zinc/63/07/70/938630770.db2.gz	VLBGWDKYBQDSTR-SJORKVTESA-N	1	0	369.473	1.053	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(COC)on2)C[C@@H]1n1ccnn1	ZINC001130033665	938634192	/nfs/dbraw/zinc/63/41/92/938634192.db2.gz	AKWXMHTUGQGYKR-CVEARBPZSA-N	1	0	360.418	1.034	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H]([NH2+]CC=C(C)C)[C@@H](n3ccnn3)C2)nn1	ZINC001130034397	938634635	/nfs/dbraw/zinc/63/46/35/938634635.db2.gz	NYFTZBYGBIDUSN-WBVHZDCISA-N	1	0	370.461	1.067	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCO[C@H]2C(=C)C)C[C@@H]1n1ccnn1	ZINC001130034535	938634681	/nfs/dbraw/zinc/63/46/81/938634681.db2.gz	RMSWPUSRXVIXBB-RDGPPVDQSA-N	1	0	373.501	1.957	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)c2c(C)noc2C)C[C@@H]1n1ccnn1	ZINC001130038103	938636129	/nfs/dbraw/zinc/63/61/29/938636129.db2.gz	LTXFFPITIWCMIJ-ZACQAIPSSA-N	1	0	370.457	1.442	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)c(C)c2)C[C@@H]1n1ccnn1	ZINC001130044055	938643309	/nfs/dbraw/zinc/64/33/09/938643309.db2.gz	NVDPUXZXSNKIQJ-SJORKVTESA-N	1	0	353.426	1.274	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)COC3)C[C@@H]1n1ccnn1	ZINC001130045950	938645341	/nfs/dbraw/zinc/64/53/41/938645341.db2.gz	DUXWLATZLCHPQA-MSOLQXFVSA-N	1	0	353.426	1.540	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2(c3ccccc3F)CC2)C[C@@H]1n1ccnn1	ZINC001130067290	938655844	/nfs/dbraw/zinc/65/58/44/938655844.db2.gz	YOQFCVYXOCLNEG-MSOLQXFVSA-N	1	0	367.428	1.514	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(C)nn(CCC)c2C)C[C@@H]1n1ccnn1	ZINC001130077786	938671256	/nfs/dbraw/zinc/67/12/56/938671256.db2.gz	ZLXLQIQCPQOWLM-SJORKVTESA-N	1	0	371.489	1.733	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)[nH]nc2C(C)C)C[C@@H]1n1ccnn1	ZINC001130079722	938672661	/nfs/dbraw/zinc/67/26/61/938672661.db2.gz	XCDUHZVSMZYRCO-CABCVRRESA-N	1	0	355.446	1.112	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ncoc2C(C)(C)C)C[C@@H]1n1ccnn1	ZINC001130079755	938672672	/nfs/dbraw/zinc/67/26/72/938672672.db2.gz	YDCAPIJTWXZNLK-KGLIPLIRSA-N	1	0	356.430	1.242	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130094673	938679416	/nfs/dbraw/zinc/67/94/16/938679416.db2.gz	PERCAYNKEPWDME-QRQLOZEOSA-N	1	0	369.469	1.626	20	30		FDEDRO
CC[C@H](CC(=O)N1C[C@@H]([NH2+]CC#CCOC)[C@@H](n2ccnn2)C1)C(C)C	ZINC001130097002	938681285	/nfs/dbraw/zinc/68/12/85/938681285.db2.gz	XPLMGLQNUFIGAG-KURKYZTESA-N	1	0	361.490	1.342	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]cnc2C)C[C@@H]1n1ccnn1	ZINC001130107182	938687175	/nfs/dbraw/zinc/68/71/75/938687175.db2.gz	HZVPUSHMJFXJFE-XKQJLSEDSA-N	1	0	357.462	1.249	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc3c[nH]nc3c2)C[C@@H]1n1ccnn1	ZINC001130107671	938687638	/nfs/dbraw/zinc/68/76/38/938687638.db2.gz	UXHUETCKAQMAFY-MSOLQXFVSA-N	1	0	365.441	1.315	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]([NH2+]C[C@H](F)CC)[C@@H](n2ccnn2)C1	ZINC001130110095	938688958	/nfs/dbraw/zinc/68/89/58/938688958.db2.gz	UMRBUKDHIJQEMK-QRVBRYPASA-N	1	0	369.444	1.592	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COc2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001130112730	938692691	/nfs/dbraw/zinc/69/26/91/938692691.db2.gz	OIBMUOGSXPPBSV-MSOLQXFVSA-N	1	0	353.426	1.030	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCCc2cccs2)C[C@@H]1n1ccnn1	ZINC001130114792	938693928	/nfs/dbraw/zinc/69/39/28/938693928.db2.gz	CMBXPMJMPRHGGY-SJORKVTESA-N	1	0	357.483	1.727	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001130118438	938701465	/nfs/dbraw/zinc/70/14/65/938701465.db2.gz	FJTJLODWJHOMHX-OLMNPRSZSA-N	1	0	371.416	1.250	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc3oc(C)nc32)C[C@@H]1n1ccnn1	ZINC001130145794	938706122	/nfs/dbraw/zinc/70/61/22/938706122.db2.gz	BLXUBDICKYYPMR-CVEARBPZSA-N	1	0	366.425	1.959	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C[C@@H]1n1ccnn1	ZINC001130146447	938706711	/nfs/dbraw/zinc/70/67/11/938706711.db2.gz	SABKLSJBXSXPHB-PTQIDZKGSA-N	1	0	355.486	1.878	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130132612	938707474	/nfs/dbraw/zinc/70/74/74/938707474.db2.gz	IAKYOHXIYHUQCK-UHOSZYNNSA-N	1	0	351.454	1.522	20	30		FDEDRO
C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130134020	938708830	/nfs/dbraw/zinc/70/88/30/938708830.db2.gz	NXJNUOORXLCDBW-UHOSZYNNSA-N	1	0	369.444	1.810	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CCC2CCCC2)[C@@H](n2ccnn2)C1	ZINC001130151254	938715625	/nfs/dbraw/zinc/71/56/25/938715625.db2.gz	KZBUQBQWWKBJDW-JQHSSLGASA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cccc(C)c2)[C@@H](n2ccnn2)C1	ZINC001130151217	938715718	/nfs/dbraw/zinc/71/57/18/938715718.db2.gz	JKNYLSJZZOWDIX-QRQLOZEOSA-N	1	0	369.469	1.719	20	30		FDEDRO
C#CC[C@@H](CC(=O)N1C[C@@H]([NH2+]CC)[C@@H](n2ccnn2)C1)c1ccccc1	ZINC001130158818	938720095	/nfs/dbraw/zinc/72/00/95/938720095.db2.gz	SPUMOIKVXVYESU-OTWHNJEPSA-N	1	0	351.454	1.837	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnc(CC)s2)C[C@@H]1n1ccnn1	ZINC001130148283	938722683	/nfs/dbraw/zinc/72/26/83/938722683.db2.gz	MPSXMISRLFUYTQ-KGLIPLIRSA-N	1	0	360.487	1.919	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C23CC(C(C)(C)C)(C2)C3)C[C@@H]1n1ccnn1	ZINC001130148282	938722745	/nfs/dbraw/zinc/72/27/45/938722745.db2.gz	MONIINICCUNEOB-ZNVHBHFFSA-N	1	0	355.486	1.859	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]([NH2+]Cc2cccnc2C)[C@@H](n2ccnn2)C1	ZINC001130148276	938722776	/nfs/dbraw/zinc/72/27/76/938722776.db2.gz	MELCVTBUSGPTEU-MSOLQXFVSA-N	1	0	370.457	1.116	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCOCC)[nH]1	ZINC001130188086	938734901	/nfs/dbraw/zinc/73/49/01/938734901.db2.gz	YHGFTZXHXNNIEB-GJZGRUSLSA-N	1	0	365.478	1.276	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)CSC)[nH]1	ZINC001130193070	938737352	/nfs/dbraw/zinc/73/73/52/938737352.db2.gz	HGYPGXOBZYCDTP-AGIUHOORSA-N	1	0	353.492	1.068	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCSC)[nH]1	ZINC001130183108	938742595	/nfs/dbraw/zinc/74/25/95/938742595.db2.gz	QGRYFQOHPBWZES-STQMWFEESA-N	1	0	353.492	1.212	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@]2(C)CC=CCC2)[nH]1	ZINC001130212837	938749533	/nfs/dbraw/zinc/74/95/33/938749533.db2.gz	GPVSDWYWRLKDGW-TWOQFEAHSA-N	1	0	371.485	1.653	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2ccncc2C)[nH]1	ZINC001130213268	938750327	/nfs/dbraw/zinc/75/03/27/938750327.db2.gz	WUHSHWPYOSJCAE-HOTGVXAUSA-N	1	0	370.457	1.015	20	30		FDEDRO
C=C(C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCOCC)[nH]1	ZINC001130216335	938752742	/nfs/dbraw/zinc/75/27/42/938752742.db2.gz	UBYSQKOHBZUCJT-GJZGRUSLSA-N	1	0	365.478	1.276	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CO[C@H](C)CC)[nH]1	ZINC001130200910	938754705	/nfs/dbraw/zinc/75/47/05/938754705.db2.gz	ZWIJUJLFZFMLRH-ILXRZTDVSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCc2ccncc2)[nH]1	ZINC001130220807	938756109	/nfs/dbraw/zinc/75/61/09/938756109.db2.gz	LVRNTCPGUODQSC-HOTGVXAUSA-N	1	0	370.457	1.097	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(C)CCCC2)n1	ZINC001130225125	938759590	/nfs/dbraw/zinc/75/95/90/938759590.db2.gz	UBYXSOQWSIHTSV-GJZGRUSLSA-N	1	0	359.474	1.487	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C/C=C(/C)C=C)[nH]1	ZINC001130227729	938761940	/nfs/dbraw/zinc/76/19/40/938761940.db2.gz	MAGNVMRSEIQQLM-BKZJWICZSA-N	1	0	359.474	1.982	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H]2CC=CCC2)n1	ZINC001130230191	938764010	/nfs/dbraw/zinc/76/40/10/938764010.db2.gz	QKNWVMIJCZLRMQ-ULQDDVLXSA-N	1	0	371.485	1.653	20	30		FDEDRO
C=C[C@H](CC)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC#CC)n[nH]1	ZINC001130232525	938765135	/nfs/dbraw/zinc/76/51/35/938765135.db2.gz	JVMXGWGEBJMJKN-PMPSAXMXSA-N	1	0	359.474	1.509	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(CCC=C)CC2)n1	ZINC001130234616	938765877	/nfs/dbraw/zinc/76/58/77/938765877.db2.gz	DWBUXVSZSFBPNQ-GJZGRUSLSA-N	1	0	357.458	1.263	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C(F)F)CCC2)[nH]1	ZINC001130234870	938766118	/nfs/dbraw/zinc/76/61/18/938766118.db2.gz	MXHBQTPIXLCKBX-RYUDHWBXSA-N	1	0	369.416	1.504	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)C(F)F)[nH]1	ZINC001130235178	938766541	/nfs/dbraw/zinc/76/65/41/938766541.db2.gz	WWCSCGJRLJQMBK-RYUDHWBXSA-N	1	0	371.432	1.750	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(CCC=C)CC2)[nH]1	ZINC001130235121	938766600	/nfs/dbraw/zinc/76/66/00/938766600.db2.gz	UOIFQFKRVQIFFE-HOTGVXAUSA-N	1	0	371.485	1.653	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2CC(C)C)[nH]1	ZINC001130237958	938767388	/nfs/dbraw/zinc/76/73/88/938767388.db2.gz	MABCAHRORDQSPW-QXSJWSMHSA-N	1	0	361.490	1.751	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H](C)C2CC2)[nH]1	ZINC001130251519	938774916	/nfs/dbraw/zinc/77/49/16/938774916.db2.gz	YSILVSWCWRYZTN-KBMXLJTQSA-N	1	0	361.490	1.895	20	30		FDEDRO
C=CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCOC)CC1	ZINC001130266475	938782657	/nfs/dbraw/zinc/78/26/57/938782657.db2.gz	CJWZMMXWBNEGDF-APWZRJJASA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C#CC2CC2)CC1	ZINC001130291144	938795925	/nfs/dbraw/zinc/79/59/25/938795925.db2.gz	YZSJQQUUCAOXLI-NQIIRXRSSA-N	1	0	357.498	1.841	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCO)CC1	ZINC001130295741	938797943	/nfs/dbraw/zinc/79/79/43/938797943.db2.gz	QBDMUABONBRQKC-WBVHZDCISA-N	1	0	351.491	1.056	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(C)(C)C(F)F)CC1	ZINC001130298915	938798980	/nfs/dbraw/zinc/79/89/80/938798980.db2.gz	MGDJGTFCBWVZMV-ZBFHGGJFSA-N	1	0	369.456	1.776	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)/C=C/c2ccco2)C[C@H]1c1cn(C)cn1	ZINC001130476143	938867467	/nfs/dbraw/zinc/86/74/67/938867467.db2.gz	ARWRPHSMVMHDBV-BUPXIBQPSA-N	1	0	370.453	1.813	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1c1cn(C)cn1	ZINC001130493731	938873283	/nfs/dbraw/zinc/87/32/83/938873283.db2.gz	MOWXMKJSHIJMBD-XYJFISCASA-N	1	0	356.474	1.556	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2occc2C)C[C@H]1c1cn(C)cn1	ZINC001130498314	938882545	/nfs/dbraw/zinc/88/25/45/938882545.db2.gz	XPHGILKVGHJPOZ-DOTOQJQBSA-N	1	0	358.442	1.722	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCCC)C[C@H]1c1cn(C)cn1	ZINC001130506009	938887073	/nfs/dbraw/zinc/88/70/73/938887073.db2.gz	SEINTJKYXLZRNN-HLLBOEOZSA-N	1	0	361.490	1.185	20	30		FDEDRO
CO[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#Cc2ccccc2)C1	ZINC001130516720	938894022	/nfs/dbraw/zinc/89/40/22/938894022.db2.gz	MPXLELXWMDOTRD-XKGZKEIXSA-N	1	0	366.465	1.391	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnsn2)C[C@H]1c1cn(C)cn1	ZINC001130516928	938894419	/nfs/dbraw/zinc/89/44/19/938894419.db2.gz	RVHHNAWZIDAXND-HEHGZKQESA-N	1	0	360.487	1.824	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC/C=C\CC)C1	ZINC001130574068	939874340	/nfs/dbraw/zinc/87/43/40/939874340.db2.gz	LURMRUJFMVMIHI-WGKYRJEHSA-N	1	0	360.502	1.988	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOCC(F)F)C1	ZINC001130583952	939884784	/nfs/dbraw/zinc/88/47/84/939884784.db2.gz	ZKVQVIZYQDNYPK-GOEBONIOSA-N	1	0	368.428	1.245	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cncn2C)C1	ZINC001130578468	939890976	/nfs/dbraw/zinc/89/09/76/939890976.db2.gz	OLPUHXGDRFOOMC-FUHWJXTLSA-N	1	0	354.458	1.041	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cccnc2)C1	ZINC001130578685	939891353	/nfs/dbraw/zinc/89/13/53/939891353.db2.gz	YVDWNSJLPKFXQY-PKOBYXMFSA-N	1	0	351.454	1.703	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(F)cncc2F)C[C@H]1c1cn(C)cn1	ZINC001130600436	939895300	/nfs/dbraw/zinc/89/53/00/939895300.db2.gz	FMYPJHWGUQHONV-BLLLJJGKSA-N	1	0	359.380	1.314	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)c2C)C[C@H]1c1cn(C)cn1	ZINC001130600822	939895596	/nfs/dbraw/zinc/89/55/96/939895596.db2.gz	MNVPSSQBWDEPMF-PKOBYXMFSA-N	1	0	370.501	1.555	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(F)cncc2F)C[C@H]1c1cn(C)cn1	ZINC001130600905	939895751	/nfs/dbraw/zinc/89/57/51/939895751.db2.gz	RXHJUJYBXKWQPM-BLLLJJGKSA-N	1	0	361.396	1.867	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccn(C(F)F)n2)C[C@H]1c1cn(C)cn1	ZINC001130599075	939904604	/nfs/dbraw/zinc/90/46/04/939904604.db2.gz	GYJOBTKACMZJEB-SWLSCSKDSA-N	1	0	364.400	1.786	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2ccn(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130599361	939905026	/nfs/dbraw/zinc/90/50/26/939905026.db2.gz	PHJNIOZRCLUQPB-FUHWJXTLSA-N	1	0	356.474	1.247	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(CC#C)CCOCC2)C[C@H]1c1cn(C)cn1	ZINC001130611087	939908201	/nfs/dbraw/zinc/90/82/01/939908201.db2.gz	XCHPKRMFMDVILR-PKOBYXMFSA-N	1	0	368.481	1.148	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC#CC)C2)CCOCC1	ZINC001130610901	939908324	/nfs/dbraw/zinc/90/83/24/939908324.db2.gz	VBDDMTMUXYSHLB-PKOBYXMFSA-N	1	0	368.481	1.148	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCn2cccn2)C1	ZINC001130602552	939914285	/nfs/dbraw/zinc/91/42/85/939914285.db2.gz	IAYIDEZXIFPNGJ-FUHWJXTLSA-N	1	0	356.474	1.557	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)CCCC3)C[C@H]1c1cn(C)cn1	ZINC001130602718	939914647	/nfs/dbraw/zinc/91/46/47/939914647.db2.gz	OXCOWUNVWKRHCD-DOTOQJQBSA-N	1	0	368.485	1.727	20	30		FDEDRO
Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NCCOCCOCC[NH3+])n1	ZINC001170507186	939914908	/nfs/dbraw/zinc/91/49/08/939914908.db2.gz	GVFBSAHYLWNBDC-VGNXUAKHSA-N	1	0	370.519	1.675	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)C[C@H]1c1cn(C)cn1	ZINC001130624388	939922192	/nfs/dbraw/zinc/92/21/92/939922192.db2.gz	UGBPYJACXAGTES-SFNKJDCFSA-N	1	0	372.513	1.636	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)cncc2C)C[C@H]1c1cn(C)cn1	ZINC001130626288	939923630	/nfs/dbraw/zinc/92/36/30/939923630.db2.gz	HCRMHPPQOIXGRY-FUHWJXTLSA-N	1	0	351.454	1.653	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cncc(OC)c2C)C[C@H]1c1cn(C)cn1	ZINC001130616920	939928234	/nfs/dbraw/zinc/92/82/34/939928234.db2.gz	JDOCNRZSWDWIPO-FUHWJXTLSA-N	1	0	367.453	1.353	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccnc2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130621801	939931619	/nfs/dbraw/zinc/93/16/19/939931619.db2.gz	FXRXEVSVCLTXJA-PKOBYXMFSA-N	1	0	363.465	1.914	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(OCC)no2)C[C@H]1c1cn(C)cn1	ZINC001130632751	939936210	/nfs/dbraw/zinc/93/62/10/939936210.db2.gz	OVVLJFHUQDDYOH-DZGCQCFKSA-N	1	0	359.430	1.581	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3ccc(F)cc32)C[C@H]1c1cn(C)cn1	ZINC001130654724	939948462	/nfs/dbraw/zinc/94/84/62/939948462.db2.gz	QAWKOXZNBQLOCH-CMKODMSKSA-N	1	0	366.440	1.806	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130692436	939980949	/nfs/dbraw/zinc/98/09/49/939980949.db2.gz	KJUUGBHCGOXDNL-GRDNDAEWSA-N	1	0	357.462	1.101	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130706616	939988325	/nfs/dbraw/zinc/98/83/25/939988325.db2.gz	OXKJCKYRXZYDAD-DOTOQJQBSA-N	1	0	354.458	1.795	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@H]1c1cn(C)cn1	ZINC001130721480	940025553	/nfs/dbraw/zinc/02/55/53/940025553.db2.gz	JIGYLHCILBOIEW-DOTOQJQBSA-N	1	0	355.442	1.685	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130721877	940025812	/nfs/dbraw/zinc/02/58/12/940025812.db2.gz	URWSSOZKLDTLSO-XKGZKEIXSA-N	1	0	366.465	1.795	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C2(CC=C)CCOCC2)C[C@H]1c1cn(C)cn1	ZINC001130723676	940028407	/nfs/dbraw/zinc/02/84/07/940028407.db2.gz	UHJCDIJFMLTBAQ-FUHWJXTLSA-N	1	0	356.470	1.310	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2c(C)n[nH]c2C)C[C@H]1c1cn(C)cn1	ZINC001130723495	940028464	/nfs/dbraw/zinc/02/84/64/940028464.db2.gz	MWUJVLUEKKSNLO-PKOBYXMFSA-N	1	0	370.501	1.853	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)cn2)C[C@H]1c1cn(C)cn1	ZINC001130737246	940038707	/nfs/dbraw/zinc/03/87/07/940038707.db2.gz	ZMGWSEIKXOBQDD-QFBILLFUSA-N	1	0	368.485	1.655	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)COC[C@@H]2CCCO2)C[C@H]1c1cn(C)cn1	ZINC001130739873	940042083	/nfs/dbraw/zinc/04/20/83/940042083.db2.gz	SMRHVKYDBRBIPM-XYJFISCASA-N	1	0	362.474	1.076	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C/C=C/Cl)C1	ZINC001130741905	940046453	/nfs/dbraw/zinc/04/64/53/940046453.db2.gz	VWSJAXJIPASOJN-SFXWEKPVSA-N	1	0	352.866	1.648	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]C[C@@H](C)O)C2)CCCC1	ZINC001130742041	940046761	/nfs/dbraw/zinc/04/67/61/940046761.db2.gz	XDTOBILEHXZSDK-SOLBZPMBSA-N	1	0	360.502	1.821	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cccnc3)n2)O1	ZINC001130744713	940048406	/nfs/dbraw/zinc/04/84/06/940048406.db2.gz	IVQOKTLOKSQTFO-LSDHHAIUSA-N	1	0	356.430	1.516	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)C2CCOCC2)C[C@H]1c1cn(C)cn1	ZINC001130749720	940056546	/nfs/dbraw/zinc/05/65/46/940056546.db2.gz	OTEZFBLDQRUPTI-HHXXYDBFSA-N	1	0	358.486	1.390	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCCO3)n2)O1	ZINC001130753203	940062801	/nfs/dbraw/zinc/06/28/01/940062801.db2.gz	WVJUVZTVOLIWDO-RRFJBIMHSA-N	1	0	363.462	1.376	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CSCC#N)n2)O1	ZINC001130758328	940084045	/nfs/dbraw/zinc/08/40/45/940084045.db2.gz	XMTQENYXSVKTER-QWHCGFSZSA-N	1	0	364.475	1.063	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cccc(C)n3)n2)O1	ZINC001130759801	940087394	/nfs/dbraw/zinc/08/73/94/940087394.db2.gz	MLWZVWKXPOEKCU-GOEBONIOSA-N	1	0	368.441	1.271	20	30		FDEDRO
C=CCOCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C[C@@H](F)CC)O2)n[nH]1	ZINC001130769618	940107192	/nfs/dbraw/zinc/10/71/92/940107192.db2.gz	MGKIXSDNDGMQIX-MELADBBJSA-N	1	0	369.441	1.181	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)/C(C)=C\C)n2)O1	ZINC001130772289	940111718	/nfs/dbraw/zinc/11/17/18/940111718.db2.gz	GICRJPLPWXDPQQ-QTMMWEQMSA-N	1	0	363.462	1.399	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)n2)O1	ZINC001130772733	940113484	/nfs/dbraw/zinc/11/34/84/940113484.db2.gz	ZGOFXLJSRODCAI-ZNFSNMQZSA-N	1	0	371.485	1.690	20	30		FDEDRO
CC(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3c[nH]c(C#N)c3)n2)O1	ZINC001130777004	940127799	/nfs/dbraw/zinc/12/77/99/940127799.db2.gz	RGYAOMOEJCHSNJ-LSDHHAIUSA-N	1	0	371.445	1.400	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3coc(C)n3)n2)O1	ZINC001130778357	940131552	/nfs/dbraw/zinc/13/15/52/940131552.db2.gz	TVHGJDARYJHIQJ-GXTWGEPZSA-N	1	0	360.418	1.417	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC3(O)CCC3)n2)O1	ZINC001130783422	940142916	/nfs/dbraw/zinc/14/29/16/940142916.db2.gz	XIZFBTWQXZDCQO-UONOGXRCSA-N	1	0	363.462	1.112	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3CCC4(CC4)CC3)n2)O1	ZINC001130794161	940145526	/nfs/dbraw/zinc/14/55/26/940145526.db2.gz	OJENUBGUYMERPB-JKSUJKDBSA-N	1	0	371.485	1.834	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@]3(C)C=CCC3)n2)O1	ZINC001130796095	940149667	/nfs/dbraw/zinc/14/96/67/940149667.db2.gz	HZQBQTKKWINMDA-KHYOSLBOSA-N	1	0	357.458	1.610	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3CC(OC)C3)n2)O1	ZINC001130790139	940162182	/nfs/dbraw/zinc/16/21/82/940162182.db2.gz	JULBUVDLOPZZMX-OOJKYFRXSA-N	1	0	363.462	1.232	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(F)CCCC3)n2)O1	ZINC001130790123	940162305	/nfs/dbraw/zinc/16/23/05/940162305.db2.gz	IVFVHWZQOQDEGW-QWHCGFSZSA-N	1	0	351.426	1.699	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(C)(C)C(F)F)n2)O1	ZINC001130809332	940187357	/nfs/dbraw/zinc/18/73/57/940187357.db2.gz	RSYKMFLKEYRSOV-NWDGAFQWSA-N	1	0	369.416	1.545	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)C(C)(F)F)n2)O1	ZINC001130809286	940187843	/nfs/dbraw/zinc/18/78/43/940187843.db2.gz	PRZDAZFSXHJFOF-FRRDWIJNSA-N	1	0	369.416	1.545	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3occc3C)n2)O1	ZINC001130809421	940188192	/nfs/dbraw/zinc/18/81/92/940188192.db2.gz	XLLXDEDBCMEMGE-LSDHHAIUSA-N	1	0	371.441	1.398	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3C[C@H]3C3CCC3)n2)O1	ZINC001130812074	940206391	/nfs/dbraw/zinc/20/63/91/940206391.db2.gz	ZUFBHHAQBHMORR-CAOSSQGBSA-N	1	0	357.458	1.300	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H](C)c3ccco3)n2)O1	ZINC001130816424	940218648	/nfs/dbraw/zinc/21/86/48/940218648.db2.gz	WGEKWLXHPOSKJQ-IJEWVQPXSA-N	1	0	371.441	1.651	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1c1cncn1C	ZINC001130897485	940300427	/nfs/dbraw/zinc/30/04/27/940300427.db2.gz	BZEMHDFOMPUDRR-KBAYOESNSA-N	1	0	369.469	1.606	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CCOC(C)C)C[C@H]1c1cncn1C	ZINC001130922276	940319670	/nfs/dbraw/zinc/31/96/70/940319670.db2.gz	CPRCMXXJIOBHRH-IAGOWNOFSA-N	1	0	364.490	1.322	20	30		FDEDRO
Cn1cncc1[C@@H]1CN(C(=O)CSCC#N)C[C@H]1[NH2+]CCC(C)(C)C	ZINC001130921054	940331318	/nfs/dbraw/zinc/33/13/18/940331318.db2.gz	UWAMEFOZUIIFJI-HUUCEWRRSA-N	1	0	363.531	1.997	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1	ZINC001130935815	940331867	/nfs/dbraw/zinc/33/18/67/940331867.db2.gz	MWLWHUDIMZXQLB-ARFHVFGLSA-N	1	0	369.473	1.049	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@H](CCCC)C(N)=O)C1	ZINC001130935670	940344763	/nfs/dbraw/zinc/34/47/63/940344763.db2.gz	GCJLZDHOSDDLDP-BZUAXINKSA-N	1	0	361.490	1.314	20	30		FDEDRO
CC[C@@H](F)C[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1c1cncn1C	ZINC001130956635	940361489	/nfs/dbraw/zinc/36/14/89/940361489.db2.gz	BLNULHMUVYNXGN-IIAWOOMASA-N	1	0	358.421	1.566	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1	ZINC000807454773	940363991	/nfs/dbraw/zinc/36/39/91/940363991.db2.gz	ZAIHMUYLKOGUGZ-CRAIPNDOSA-N	1	0	355.438	1.722	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC2(F)F)C[C@H]1c1cncn1C	ZINC001130980183	940394235	/nfs/dbraw/zinc/39/42/35/940394235.db2.gz	GIFQEHHMYNASCG-MGPQQGTHSA-N	1	0	354.401	1.162	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC2CCCC2)C1	ZINC001130988999	940411174	/nfs/dbraw/zinc/41/11/74/940411174.db2.gz	SHHARZJCORYYTH-CGTJXYLNSA-N	1	0	358.486	1.533	20	30		FDEDRO
Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1c1cncn1C	ZINC001130991371	940414180	/nfs/dbraw/zinc/41/41/80/940414180.db2.gz	GGLLOLIFPHHQEN-RTBURBONSA-N	1	0	365.481	1.867	20	30		FDEDRO
C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1c1cncn1C	ZINC001130985833	940423493	/nfs/dbraw/zinc/42/34/93/940423493.db2.gz	RTVYIYGMWFPTRY-GVDBMIGSSA-N	1	0	360.502	1.515	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccn(C(F)F)n2)C[C@H]1c1cncn1C	ZINC001131003973	940430230	/nfs/dbraw/zinc/43/02/30/940430230.db2.gz	VSSKYHPNAFVRKU-TZMCWYRMSA-N	1	0	362.384	1.233	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](OCC)C(C)C)C[C@H]1c1cncn1C	ZINC001131007979	940434383	/nfs/dbraw/zinc/43/43/83/940434383.db2.gz	QBQFFCQEXAGDRP-ZHALLVOQSA-N	1	0	360.502	1.779	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)COCc2cc(C)no2)C[C@H]1c1cncn1C	ZINC001131017916	940439027	/nfs/dbraw/zinc/43/90/27/940439027.db2.gz	SMSXLHZOKHEYCE-HZPDHXFCSA-N	1	0	359.430	1.003	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc(CC)n2)C[C@H]1c1cncn1C	ZINC001131012955	940444887	/nfs/dbraw/zinc/44/48/87/940444887.db2.gz	USOXHQLPCMUNMJ-SJLPKXTDSA-N	1	0	351.454	1.599	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ncc(F)cc2F)C[C@H]1c1cncn1C	ZINC001131019873	940452380	/nfs/dbraw/zinc/45/23/80/940452380.db2.gz	FDPCUGYLZYGGMM-UKRRQHHQSA-N	1	0	359.380	1.314	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnc3ccccn23)C[C@H]1c1cncn1C	ZINC001131020120	940452696	/nfs/dbraw/zinc/45/26/96/940452696.db2.gz	LNQZFFQSXFDRLT-HZPDHXFCSA-N	1	0	362.437	1.289	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)(C)C)n[nH]2)C[C@H]1c1cncn1C	ZINC001131020591	940453193	/nfs/dbraw/zinc/45/31/93/940453193.db2.gz	YGFYVWSWXHEBHL-GDBMZVCRSA-N	1	0	368.485	1.662	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2CCC)C[C@H]1c1cncn1C	ZINC001131022651	940455989	/nfs/dbraw/zinc/45/59/89/940455989.db2.gz	DXTYUNPIMWSBJX-IAGOWNOFSA-N	1	0	368.485	1.327	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CCC(C)(F)F)C[C@H]1c1cncn1C	ZINC001131022626	940455994	/nfs/dbraw/zinc/45/59/94/940455994.db2.gz	DHEYOGXBGLZLSE-HUUCEWRRSA-N	1	0	368.428	1.389	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cncc3[nH]ccc32)C[C@H]1c1cncn1C	ZINC001131026085	940459647	/nfs/dbraw/zinc/45/96/47/940459647.db2.gz	TYWCZMYMIBIGDF-SJLPKXTDSA-N	1	0	362.437	1.518	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)C[C@H]1c1cncn1C	ZINC001131026142	940459734	/nfs/dbraw/zinc/45/97/34/940459734.db2.gz	XIJFYLIYNAFKKJ-BRSBDYLESA-N	1	0	372.513	1.636	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)co2)C[C@H]1c1cncn1C	ZINC001131049389	940470633	/nfs/dbraw/zinc/47/06/33/940470633.db2.gz	XNIOWJNAAJNRFY-HZPDHXFCSA-N	1	0	356.426	1.169	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@@H](C)COC)C1	ZINC001131044193	940473197	/nfs/dbraw/zinc/47/31/97/940473197.db2.gz	RYDSCOPMIGOPBJ-RCCFBDPRSA-N	1	0	360.502	1.923	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCn2cccn2)C1	ZINC001131057723	940477999	/nfs/dbraw/zinc/47/79/99/940477999.db2.gz	UYDKFLWFHGJEOT-KZNAEPCWSA-N	1	0	370.501	1.803	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ocnc2C)C1	ZINC001131051656	940480108	/nfs/dbraw/zinc/48/01/08/940480108.db2.gz	SAYVVJFPBZUCCE-IAGOWNOFSA-N	1	0	369.469	1.994	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2nc(Cl)cs2)C[C@H]1c1cncn1C	ZINC001131054156	940480926	/nfs/dbraw/zinc/48/09/26/940480926.db2.gz	VVGMUCYICYCNFS-VXGBXAGGSA-N	1	0	363.874	1.751	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]C[C@H](F)CC)C2)c1	ZINC001131068082	940483168	/nfs/dbraw/zinc/48/31/68/940483168.db2.gz	LJJXJXFBYHMUDM-KZNAEPCWSA-N	1	0	369.444	1.742	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2cc(C)on2)C[C@H]1c1cncn1C	ZINC001131070518	940484686	/nfs/dbraw/zinc/48/46/86/940484686.db2.gz	ZLROCYAQNXJHMU-IAGOWNOFSA-N	1	0	357.458	1.809	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C(C)(F)F)C[C@H]1c1cncn1C	ZINC001131072093	940485017	/nfs/dbraw/zinc/48/50/17/940485017.db2.gz	IYRXSFWVPDBCQU-RBSFLKMASA-N	1	0	370.444	1.798	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C=C)C[C@H]1c1cncn1C	ZINC001131072165	940485180	/nfs/dbraw/zinc/48/51/80/940485180.db2.gz	LKNKXUVEQSYBMK-MTNOOBJLSA-N	1	0	358.486	1.861	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cn2ccnc2C(C)C)C[C@H]1c1cncn1C	ZINC001131081788	940487814	/nfs/dbraw/zinc/48/78/14/940487814.db2.gz	BAHKQKTUZFMUKQ-IAGOWNOFSA-N	1	0	370.501	1.900	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn(CCC)c2)C[C@H]1c1cncn1C	ZINC001131084057	940489187	/nfs/dbraw/zinc/48/91/87/940489187.db2.gz	KKQXMRPNDXKDMS-IAGOWNOFSA-N	1	0	354.458	1.248	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1c1cncn1C	ZINC001131079439	940492196	/nfs/dbraw/zinc/49/21/96/940492196.db2.gz	LLKVTPUSXKBVGG-USXIJHARSA-N	1	0	356.474	1.625	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2cn[nH]c2)C[C@H]1c1cncn1C	ZINC001131086628	940493719	/nfs/dbraw/zinc/49/37/19/940493719.db2.gz	WUFLWXJFACWFQM-IAGOWNOFSA-N	1	0	356.474	1.626	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC2)C[C@H]1c1cncn1C	ZINC001131086675	940493788	/nfs/dbraw/zinc/49/37/88/940493788.db2.gz	ZHAYODYGWSAVPG-BSDSXHPESA-N	1	0	358.486	1.553	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc(C)nc2C)C[C@H]1c1cncn1C	ZINC001131089609	940494911	/nfs/dbraw/zinc/49/49/11/940494911.db2.gz	PXOZKBOQIAZOPT-IAGOWNOFSA-N	1	0	354.458	1.601	20	30		FDEDRO
CC[C@H](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CCOC)C1	ZINC001131096544	940497315	/nfs/dbraw/zinc/49/73/15/940497315.db2.gz	HLTOEOJYWYXMFN-RCCFBDPRSA-N	1	0	360.502	1.780	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cn(CC)nn2)C[C@H]1c1cncn1C	ZINC001131097037	940497696	/nfs/dbraw/zinc/49/76/96/940497696.db2.gz	WZYOVRMVAGVUOZ-HUUCEWRRSA-N	1	0	357.462	1.196	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]C[C@H](C)OC)C2)cn1	ZINC001131113165	940499372	/nfs/dbraw/zinc/49/93/72/940499372.db2.gz	WCOXTEBPGPYLRX-BMGDILEWSA-N	1	0	367.453	1.029	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2nonc2C)C[C@H]1c1cncn1C	ZINC001131101317	940500328	/nfs/dbraw/zinc/50/03/28/940500328.db2.gz	USDLRKRPSLIMMS-GDBMZVCRSA-N	1	0	358.446	1.204	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@H]1c1cncn1C	ZINC001131106297	940501895	/nfs/dbraw/zinc/50/18/95/940501895.db2.gz	TWGXUAPUNLTAOE-HZPDHXFCSA-N	1	0	370.501	1.971	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COCCCCCC)C[C@H]1c1cncn1C	ZINC001131117627	940504438	/nfs/dbraw/zinc/50/44/38/940504438.db2.gz	IGLUYONJGLWZAZ-QZTJIDSGSA-N	1	0	360.502	1.924	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnn3cc[nH]c23)C[C@H]1c1cncn1C	ZINC001131117861	940504661	/nfs/dbraw/zinc/50/46/61/940504661.db2.gz	WGPKDGCHMSNDMN-HZPDHXFCSA-N	1	0	367.457	1.560	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)n(C)c2C)C[C@H]1c1cncn1C	ZINC001131119642	940505371	/nfs/dbraw/zinc/50/53/71/940505371.db2.gz	ODMPQUQAHBUTKQ-QZTJIDSGSA-N	1	0	353.470	1.597	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](F)Cc2ccccc2)C[C@H]1c1cncn1C	ZINC001131125932	940507981	/nfs/dbraw/zinc/50/79/81/940507981.db2.gz	NXRBSBMLNQDWOV-CEXWTWQISA-N	1	0	368.456	1.908	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COCc2cccnc2)C[C@H]1c1cncn1C	ZINC001131115252	940508649	/nfs/dbraw/zinc/50/86/49/940508649.db2.gz	GMIJBLLGAPWFII-QZTJIDSGSA-N	1	0	369.469	1.492	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C2(CCOC)CCCC2)C[C@H]1c1cncn1C	ZINC001131130531	940511320	/nfs/dbraw/zinc/51/13/20/940511320.db2.gz	RCDLEZPTUSZZDN-IAGOWNOFSA-N	1	0	358.486	1.534	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NC2CC([NH+](C)C)C2)ccc1F	ZINC000808019705	940511596	/nfs/dbraw/zinc/51/15/96/940511596.db2.gz	HCXKREPFGCDLSA-UHFFFAOYSA-N	1	0	355.435	1.112	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccncc3F)C2)C1=O	ZINC001086662954	940539918	/nfs/dbraw/zinc/53/99/18/940539918.db2.gz	QNVHMLGWCHOOSG-VBQJREDUSA-N	1	0	360.433	1.496	20	30		FDEDRO
C=CCN(C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(C)C	ZINC000808346900	940540864	/nfs/dbraw/zinc/54/08/64/940540864.db2.gz	SXGFTUWZJWPEDM-IAGOWNOFSA-N	1	0	351.491	1.294	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)COC)C1	ZINC001131294550	940546358	/nfs/dbraw/zinc/54/63/58/940546358.db2.gz	KCAMDNVZOWKVHA-BBWFWOEESA-N	1	0	365.474	1.485	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCSC)C1	ZINC001131301004	940546886	/nfs/dbraw/zinc/54/68/86/940546886.db2.gz	ISFYKWGRKCKRNC-OAGGEKHMSA-N	1	0	367.515	1.812	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CSC(C)C)C1	ZINC001131301302	940547240	/nfs/dbraw/zinc/54/72/40/940547240.db2.gz	RFYZQFWEFLILMK-OAGGEKHMSA-N	1	0	367.515	1.810	20	30		FDEDRO
CC(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1	ZINC001131307174	940548920	/nfs/dbraw/zinc/54/89/20/940548920.db2.gz	LCRYCLLFDFPESH-ZACQAIPSSA-N	1	0	361.486	1.798	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCC(C)C)C[C@H]32)C1	ZINC001131307217	940549032	/nfs/dbraw/zinc/54/90/32/940549032.db2.gz	MOOHKHKCZFDUHW-KSZLIROESA-N	1	0	361.486	1.942	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCCC#CC)C1	ZINC001131310339	940550158	/nfs/dbraw/zinc/55/01/58/940550158.db2.gz	PBFSNCVBHCUJMX-KSZLIROESA-N	1	0	359.470	1.862	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)COC(C)(C)C)C1	ZINC001131310611	940550321	/nfs/dbraw/zinc/55/03/21/940550321.db2.gz	XNEYSOCIASNESE-OAGGEKHMSA-N	1	0	365.474	1.484	20	30		FDEDRO
C=CCCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2c2cccnc2)CC1	ZINC001131383728	940559416	/nfs/dbraw/zinc/55/94/16/940559416.db2.gz	WVERTSZXDSCXTE-RBUKOAKNSA-N	1	0	370.497	1.802	20	30		FDEDRO
COc1coc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)cc1=O	ZINC001086667527	940559662	/nfs/dbraw/zinc/55/96/62/940559662.db2.gz	LTIRQKSXAQYZEK-GXTWGEPZSA-N	1	0	370.409	1.536	20	30		FDEDRO
COCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC#Cc2ccccc2)CC1	ZINC001131399617	940561018	/nfs/dbraw/zinc/56/10/18/940561018.db2.gz	VTUDCUDUAFZHDO-CTNGQTDRSA-N	1	0	356.466	1.670	20	30		FDEDRO
C=CCCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCO[C@H]2C(=C)C)CC1	ZINC001131388777	940561935	/nfs/dbraw/zinc/56/19/35/940561935.db2.gz	WYEGLZJQPHAFFL-HKUYNNGSSA-N	1	0	363.502	1.584	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccccc2)CC1	ZINC001131406193	940564960	/nfs/dbraw/zinc/56/49/60/940564960.db2.gz	HENCCRYWANJMLA-QUCCMNQESA-N	1	0	371.481	1.588	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccccc2)CC1	ZINC001131410305	940565878	/nfs/dbraw/zinc/56/58/78/940565878.db2.gz	AOZNLXWWEFIPEC-UXHICEINSA-N	1	0	356.466	1.936	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)OCC)CC1	ZINC001131434268	940598327	/nfs/dbraw/zinc/59/83/27/940598327.db2.gz	YAGQHYNFZBGDBZ-NXHRZFHOSA-N	1	0	354.491	1.600	20	30		FDEDRO
C=CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NCC(C)C)CC1	ZINC001131448522	940602345	/nfs/dbraw/zinc/60/23/45/940602345.db2.gz	CWDUTNFOYOLSNP-XLIONFOSSA-N	1	0	365.518	1.711	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCC=C)CC1	ZINC001131448969	940603650	/nfs/dbraw/zinc/60/36/50/940603650.db2.gz	ZKJSEHQIBDENGF-WDYCEAGBSA-N	1	0	361.486	1.076	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2coc(C)c2)CC1	ZINC001131478799	940634776	/nfs/dbraw/zinc/63/47/76/940634776.db2.gz	LDAMANCIZBLWBQ-MOPGFXCFSA-N	1	0	360.454	1.837	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC(C)(C)O)CC1	ZINC001131480652	940636891	/nfs/dbraw/zinc/63/68/91/940636891.db2.gz	QBTBUUBCCBGBKS-AEFFLSMTSA-N	1	0	354.491	1.336	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1)[C@H]1CCCO1	ZINC000808945266	940657171	/nfs/dbraw/zinc/65/71/71/940657171.db2.gz	XTOVRMBFGGYPBI-NZSAHSFTSA-N	1	0	371.481	1.310	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2ccncn2)CC1	ZINC001131506949	940669621	/nfs/dbraw/zinc/66/96/21/940669621.db2.gz	XPMNITNWWPPZDX-QUCCMNQESA-N	1	0	358.486	1.971	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2OCCO[C@H]2C)CC1	ZINC001131515604	940680873	/nfs/dbraw/zinc/68/08/73/940680873.db2.gz	UTJKFTKJWPFTNJ-NQYYFHDYSA-N	1	0	366.502	1.742	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ncc(F)cc2F)CC1	ZINC001131519181	940688499	/nfs/dbraw/zinc/68/84/99/940688499.db2.gz	IQVNUWJZNAAVCB-AEFFLSMTSA-N	1	0	363.408	1.982	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn3c2CCC3)CC1	ZINC001131512004	940694252	/nfs/dbraw/zinc/69/42/52/940694252.db2.gz	IKRGIIGOPTWZEP-MJGOQNOKSA-N	1	0	356.470	1.452	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccc3ncnn32)CC1	ZINC001131527845	940696955	/nfs/dbraw/zinc/69/69/55/940696955.db2.gz	BHJFNHZPNHOUFR-APWZRJJASA-N	1	0	367.453	1.352	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@]2(C)CNC(=O)C2)CC1	ZINC001131533643	940704629	/nfs/dbraw/zinc/70/46/29/940704629.db2.gz	PWCAHXHLKZLQGF-KPFFTGBYSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](F)CC)CC1	ZINC001131541627	940716201	/nfs/dbraw/zinc/71/62/01/940716201.db2.gz	VIPAXRGMHYHAAT-UXLLHSPISA-N	1	0	355.454	1.022	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(CC)nnc2C)CC1	ZINC001131535429	940724864	/nfs/dbraw/zinc/72/48/64/940724864.db2.gz	CEIIKICJQGSCOJ-UXHICEINSA-N	1	0	370.497	1.970	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCO)CC1	ZINC001131538104	940726276	/nfs/dbraw/zinc/72/62/76/940726276.db2.gz	GMLMBPSCLNQFDR-MSOLQXFVSA-N	1	0	368.518	1.583	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(=O)NC)CC1	ZINC001131538637	940726589	/nfs/dbraw/zinc/72/65/89/940726589.db2.gz	QOSRTCXYEYSOJO-OIISXLGYSA-N	1	0	365.518	1.709	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](OC)C(C)C)CC1	ZINC001131555794	940731105	/nfs/dbraw/zinc/73/11/05/940731105.db2.gz	XJHPUQPPILSGEO-QRVBRYPASA-N	1	0	366.502	1.293	20	30		FDEDRO
C=CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H]2CCN(C)C2=O)CC1	ZINC001131558285	940732747	/nfs/dbraw/zinc/73/27/47/940732747.db2.gz	RUDMJNZQTWNHMV-AOIWGVFYSA-N	1	0	363.502	1.559	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCc3nc[nH]c32)CC1	ZINC001131562451	940736090	/nfs/dbraw/zinc/73/60/90/940736090.db2.gz	TVTUQPDLVWDWLP-POAQFYNOSA-N	1	0	370.497	1.839	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnc3n2CCCC3)CC1	ZINC001131549910	940738388	/nfs/dbraw/zinc/73/83/88/940738388.db2.gz	FYXNSBVXFUXUCX-XLIONFOSSA-N	1	0	370.497	1.842	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)CC1	ZINC001131564512	940740418	/nfs/dbraw/zinc/74/04/18/940740418.db2.gz	MNYSFXDONPUCKU-MLYOOKFZSA-N	1	0	370.497	1.533	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](CC)NC(C)=O)CC1	ZINC001131570661	940746522	/nfs/dbraw/zinc/74/65/22/940746522.db2.gz	MHJCOSPXSWODNG-KSZLIROESA-N	1	0	351.491	1.463	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCO[C@H]2C(=C)C)CC1	ZINC001131578396	940755690	/nfs/dbraw/zinc/75/56/90/940755690.db2.gz	VPZLXVRFBYCWDL-YRPNKDGESA-N	1	0	360.498	1.977	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(CC)c[nH]c2=O)CC1	ZINC001131588119	940757110	/nfs/dbraw/zinc/75/71/10/940757110.db2.gz	RVGOLMIUMSFZMG-MOPGFXCFSA-N	1	0	371.481	1.972	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCCC(N)=O)CC1	ZINC001131590468	940759674	/nfs/dbraw/zinc/75/96/74/940759674.db2.gz	CJDJCXUHCYCGEC-XLIONFOSSA-N	1	0	365.518	1.984	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccncn2)CC1	ZINC001131580467	940766897	/nfs/dbraw/zinc/76/68/97/940766897.db2.gz	SGMPARBAVACSME-AEFFLSMTSA-N	1	0	360.458	1.279	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn(C(C)C)nn2)CC1	ZINC001131585071	940770860	/nfs/dbraw/zinc/77/08/60/940770860.db2.gz	MAWYKBCPUNLPNP-AEFFLSMTSA-N	1	0	359.474	1.482	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]C[C@@H](C)OC)CC2)cn1	ZINC001131597314	940781175	/nfs/dbraw/zinc/78/11/75/940781175.db2.gz	WEDGKCCXNUCMBG-YSGRDPCXSA-N	1	0	371.481	1.697	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](NC(C)=O)[C@@H](C)CC)CC1	ZINC001131606825	940785699	/nfs/dbraw/zinc/78/56/99/940785699.db2.gz	HYXSKSZACHSHSE-VLQPXKRTSA-N	1	0	365.518	1.709	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COC[C@H]2CCCO2)CC1	ZINC001131617451	940794468	/nfs/dbraw/zinc/79/44/68/940794468.db2.gz	SYCVCNFTBMRUBO-LMMKCTJWSA-N	1	0	352.475	1.354	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1)[C@@H]1CCCO1	ZINC000809311395	940815362	/nfs/dbraw/zinc/81/53/62/940815362.db2.gz	HMUUUTFAZUJQKT-FOIPXRHGSA-N	1	0	361.486	1.006	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1=O	ZINC001131648199	940817902	/nfs/dbraw/zinc/81/79/02/940817902.db2.gz	PKDNOJOLRUMHBY-ZMSDIMECSA-N	1	0	363.408	1.561	20	30		FDEDRO
O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)NCC#Cc1ccccc1	ZINC001131660068	940826795	/nfs/dbraw/zinc/82/67/95/940826795.db2.gz	XZXBFOHNHLVYFZ-SLFFLAALSA-N	1	0	367.493	1.686	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1C#N	ZINC000809502316	940844906	/nfs/dbraw/zinc/84/49/06/940844906.db2.gz	KSGAKLVZUPGDBZ-NVXWUHKLSA-N	1	0	370.453	1.126	20	30		FDEDRO
C[C@H]1CCCCN1C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1	ZINC001086675583	940920115	/nfs/dbraw/zinc/92/01/15/940920115.db2.gz	MYKQPBHQIMZGHJ-HRCADAONSA-N	1	0	371.485	1.775	20	30		FDEDRO
CCn1nc(C)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1	ZINC001086676298	940933139	/nfs/dbraw/zinc/93/31/39/940933139.db2.gz	QHTCRXMBBXRBFZ-UONOGXRCSA-N	1	0	355.446	1.495	20	30		FDEDRO
CCCCn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1	ZINC001086676306	940933141	/nfs/dbraw/zinc/93/31/41/940933141.db2.gz	QWGHGOIZCJGFED-UONOGXRCSA-N	1	0	370.461	1.361	20	30		FDEDRO
C[NH+](C)CCN(CCc1ccccc1)S(=O)(=O)c1cncc(C#N)c1	ZINC000810042071	940939979	/nfs/dbraw/zinc/93/99/79/940939979.db2.gz	USHCKIJPAXGBML-UHFFFAOYSA-N	1	0	358.467	1.748	20	30		FDEDRO
C[C@@H]1CCCCN1C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1	ZINC001086676893	940949397	/nfs/dbraw/zinc/94/93/97/940949397.db2.gz	ZZLMJBKHNZGHEY-HLLBOEOZSA-N	1	0	371.485	1.775	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H]1O	ZINC001090503644	940957064	/nfs/dbraw/zinc/95/70/64/940957064.db2.gz	DCMYLMSEAVUJLN-GHMZBOCLSA-N	1	0	371.894	1.064	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1	ZINC000810842107	941067483	/nfs/dbraw/zinc/06/74/83/941067483.db2.gz	SPHLGGPHDVDKEZ-HOTGVXAUSA-N	1	0	362.451	1.382	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cccc(N3C(=O)N[C@H](C)C3=O)c2C)CC1	ZINC000811538399	941140199	/nfs/dbraw/zinc/14/01/99/941140199.db2.gz	UXNRPIMIUMAFTH-CQSZACIVSA-N	1	0	368.437	1.723	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)C1	ZINC001086698834	941169293	/nfs/dbraw/zinc/16/92/93/941169293.db2.gz	CIHPHRHVUZSSAI-UMPJEAMMSA-N	1	0	374.510	1.909	20	30		FDEDRO
COc1cc(NC(C)=O)ccc1C(C)=NNC(=S)NCCC[NH+](C)C	ZINC000747750231	941172578	/nfs/dbraw/zinc/17/25/78/941172578.db2.gz	LUNOFPHGXHQEBX-UHFFFAOYSA-N	1	0	365.503	1.793	20	30		FDEDRO
CSC1(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC[NH+](C)CC1	ZINC000811943935	941174074	/nfs/dbraw/zinc/17/40/74/941174074.db2.gz	PKEHQSYTWPHEEB-OAHLLOKOSA-N	1	0	351.520	1.196	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)CC1	ZINC000812275084	941190220	/nfs/dbraw/zinc/19/02/20/941190220.db2.gz	FEWGIDWKNZJBID-ZDUSSCGKSA-N	1	0	359.392	1.249	20	30		FDEDRO
C#C[C@H](NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(F)cc1	ZINC000812884694	941286612	/nfs/dbraw/zinc/28/66/12/941286612.db2.gz	XPGINNJISHREQD-RDJZCZTQSA-N	1	0	360.433	1.387	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(F)cc1	ZINC000813037763	941313757	/nfs/dbraw/zinc/31/37/57/941313757.db2.gz	FKQXGFLLWNTXMF-HNNXBMFYSA-N	1	0	357.389	1.013	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1=O	ZINC001133629215	941340386	/nfs/dbraw/zinc/34/03/86/941340386.db2.gz	UBNOEKSSNNADAW-XJKCOSOUSA-N	1	0	363.408	1.561	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)CC1	ZINC000747854473	941373310	/nfs/dbraw/zinc/37/33/10/941373310.db2.gz	MPKKONMQWYGYEP-UHFFFAOYSA-N	1	0	370.497	1.680	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)c(=O)[nH]c1=O)C2	ZINC001110103348	941383256	/nfs/dbraw/zinc/38/32/56/941383256.db2.gz	QDIRARSFNDSRSM-KBMXLJTQSA-N	1	0	362.474	1.791	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cnn4c3CCC4)C2)C1=O	ZINC001086712909	941423446	/nfs/dbraw/zinc/42/34/46/941423446.db2.gz	DKCVCWMGXJZJEH-ZMSDIMECSA-N	1	0	371.485	1.104	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(N(C)S(=O)(=O)CC)cc2)CC1	ZINC000855959658	970808586	/nfs/dbraw/zinc/80/85/86/970808586.db2.gz	PGMOJNJWRVTIFY-UHFFFAOYSA-N	1	0	363.483	1.756	20	30		FDEDRO
C[NH+](C)CCCOc1cnccc1CNC(=O)[C@@H](O)c1ccc(C#N)cc1	ZINC000813848159	941486936	/nfs/dbraw/zinc/48/69/36/941486936.db2.gz	XDOLPLBZXRZIDX-IBGZPJMESA-N	1	0	368.437	1.634	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccc(Cl)cc1C	ZINC001134054291	941531036	/nfs/dbraw/zinc/53/10/36/941531036.db2.gz	DQFXUUXUDPYNFM-ZBFHGGJFSA-N	1	0	365.861	1.884	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)Nc1ccc(C)c(C)c1	ZINC001134061713	941540427	/nfs/dbraw/zinc/54/04/27/941540427.db2.gz	FLUCKYDKIGYJGF-JQHSSLGASA-N	1	0	359.470	1.927	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C(C)C)C1CCCC1	ZINC001134061866	941540459	/nfs/dbraw/zinc/54/04/59/941540459.db2.gz	HDWZCZXYBKLRMX-SJORKVTESA-N	1	0	351.491	1.463	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]C[C@@H](O)c2ccccc2)C1	ZINC001086720838	941619881	/nfs/dbraw/zinc/61/98/81/941619881.db2.gz	QYCDUNFIUCOZRI-FYZZASKESA-N	1	0	369.509	1.692	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nccnc2C)C1	ZINC001086721064	941640859	/nfs/dbraw/zinc/64/08/59/941640859.db2.gz	DGZITHYFZVLCDW-SCTDSRPQSA-N	1	0	355.486	1.257	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cn[nH]c(=O)c2)C1	ZINC001086725304	941725419	/nfs/dbraw/zinc/72/54/19/941725419.db2.gz	TWXNZXAVLSMFAD-CMPLNLGQSA-N	1	0	355.236	1.579	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@H](C(C)C)[NH+](CC=C)CC=C)CC1	ZINC000747979975	941727056	/nfs/dbraw/zinc/72/70/56/941727056.db2.gz	OLSTWMZNEGXEIK-LJQANCHMSA-N	1	0	374.529	1.856	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cn[nH]c(=O)c3)C2)c(F)c1	ZINC001086725009	941728145	/nfs/dbraw/zinc/72/81/45/941728145.db2.gz	FPPZWEKFFPBLJF-XJKSGUPXSA-N	1	0	369.400	1.881	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000815082460	941777822	/nfs/dbraw/zinc/77/78/22/941777822.db2.gz	SFLYPRNNLXIGOX-UHFFFAOYSA-N	1	0	370.272	1.554	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)OCCO3)C[C@H]1O	ZINC001195312112	970843835	/nfs/dbraw/zinc/84/38/35/970843835.db2.gz	FFZXWHLQIMXXBX-HZPDHXFCSA-N	1	0	360.454	1.374	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)N1CCCCC1	ZINC001135067746	941883125	/nfs/dbraw/zinc/88/31/25/941883125.db2.gz	KWPFDLXXRBNSMX-IKGGRYGDSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NCc1ccco1	ZINC001135067890	941883875	/nfs/dbraw/zinc/88/38/75/941883875.db2.gz	QETBXKZSZXYSHV-PVAVHDDUSA-N	1	0	363.458	1.361	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)nc1	ZINC000815539456	941906722	/nfs/dbraw/zinc/90/67/22/941906722.db2.gz	MIFRYNCMHNGKPN-UHFFFAOYSA-N	1	0	355.442	1.805	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]CCNC(=O)[C@H]2CCO[C@H]2C(=C)C)c1	ZINC001135142205	941927276	/nfs/dbraw/zinc/92/72/76/941927276.db2.gz	KWKBJBRCPDHSSG-HKUYNNGSSA-N	1	0	355.438	1.293	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCCc2ccccc21	ZINC001135145782	941929438	/nfs/dbraw/zinc/92/94/38/941929438.db2.gz	TXUYOCUKDNPBJP-PXNSSMCTSA-N	1	0	371.481	1.653	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)s1	ZINC001135139105	941934658	/nfs/dbraw/zinc/93/46/58/941934658.db2.gz	ZKRXZSZSOVFWDT-CZUORRHYSA-N	1	0	359.455	1.127	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1c(C)cccc1C	ZINC001135147249	941942210	/nfs/dbraw/zinc/94/22/10/941942210.db2.gz	GCUIVSCMWRKXSS-LPHOPBHVSA-N	1	0	359.470	1.929	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N(CC(C)C)C(C)C	ZINC001135147596	941942855	/nfs/dbraw/zinc/94/28/55/941942855.db2.gz	NPNITTBYTCHZTO-WMZOPIPTSA-N	1	0	353.507	1.566	20	30		FDEDRO
C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3ccc(F)cc3OCC#N)C2)C1	ZINC000815830664	941981655	/nfs/dbraw/zinc/98/16/55/941981655.db2.gz	JLHNLYGCGUVXTJ-LJQANCHMSA-N	1	0	374.416	1.611	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccnn1-c1ccccc1C	ZINC000815861241	941997031	/nfs/dbraw/zinc/99/70/31/941997031.db2.gz	YGCZHWXQZZIKDN-UHFFFAOYSA-N	1	0	353.426	1.191	20	30		FDEDRO
C=CCOc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H]3CCNC3=O)C2)cc1	ZINC001086735842	942104473	/nfs/dbraw/zinc/10/44/73/942104473.db2.gz	QJFGCNPHQSLWSO-YXJHDRRASA-N	1	0	357.454	1.628	20	30		FDEDRO
CC[N@H+](CCC#N)C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1	ZINC000816483776	942215734	/nfs/dbraw/zinc/21/57/34/942215734.db2.gz	DOVZRJNYMNSUIO-OAHLLOKOSA-N	1	0	352.479	1.985	20	30		FDEDRO
COc1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)nn1C	ZINC001086752688	942301760	/nfs/dbraw/zinc/30/17/60/942301760.db2.gz	BNUUPOJLEHSRCO-DLBZAZTESA-N	1	0	367.453	1.989	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCN1CCCC1=O	ZINC001170842134	942331274	/nfs/dbraw/zinc/33/12/74/942331274.db2.gz	OQTPOFPZDNHBBH-KSZLIROESA-N	1	0	365.518	1.855	20	30		FDEDRO
O=C(NCCNC(=O)C1N=CC=CC1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000816923546	942383126	/nfs/dbraw/zinc/38/31/26/942383126.db2.gz	KZYUMFOHIIWNDK-RJCBAWPRSA-N	1	0	368.437	1.151	20	30		FDEDRO
COc1nn(C)cc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001086775499	942468730	/nfs/dbraw/zinc/46/87/30/942468730.db2.gz	RDVXYSXOWMPPBG-DLBZAZTESA-N	1	0	367.453	1.989	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cn(C)nc2OC)C1	ZINC001086775607	942469273	/nfs/dbraw/zinc/46/92/73/942469273.db2.gz	XPKXANBSRYTFHO-NWDGAFQWSA-N	1	0	371.279	1.825	20	30		FDEDRO
CN1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)C1=O	ZINC001086781702	942485380	/nfs/dbraw/zinc/48/53/80/942485380.db2.gz	YRXWKVDUCBEXPU-BMGDILEWSA-N	1	0	354.454	1.411	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cnc(C)n3C)C2)C1=O	ZINC001086786362	942511488	/nfs/dbraw/zinc/51/14/88/942511488.db2.gz	XLPYCWPMSTXSJW-XHSDSOJGSA-N	1	0	359.474	1.004	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnn(CC)n3)C2)c1	ZINC001086798362	942634618	/nfs/dbraw/zinc/63/46/18/942634618.db2.gz	JKTHLHDIKDLYNC-DOTOQJQBSA-N	1	0	352.442	1.363	20	30		FDEDRO
C[C@@H]1C[C@H](C)[N@H+](CC(=O)NCCC#N)C[C@H]1CNC(=O)OC(C)(C)C	ZINC000817292599	942670082	/nfs/dbraw/zinc/67/00/82/942670082.db2.gz	MJBVNYYOEBBLLM-QLFBSQMISA-N	1	0	352.479	1.887	20	30		FDEDRO
C#C[C@H](NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)C1CCOCC1	ZINC000856120485	970924366	/nfs/dbraw/zinc/92/43/66/970924366.db2.gz	QDXDJKIBFIJKLM-JKSUJKDBSA-N	1	0	367.490	1.376	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c1	ZINC000817467295	942801544	/nfs/dbraw/zinc/80/15/44/942801544.db2.gz	YLCJBICYAXSIQX-QGZVFWFLSA-N	1	0	355.482	1.912	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2snnc2C)C1	ZINC001086807597	942830526	/nfs/dbraw/zinc/83/05/26/942830526.db2.gz	JTGNHXWPNXUMKC-YJNKXOJESA-N	1	0	350.488	1.812	20	30		FDEDRO
CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc(Br)ccc1OCC#N	ZINC001170873486	942832621	/nfs/dbraw/zinc/83/26/21/942832621.db2.gz	CYDQCVOOXGICRI-DGCLKSJQSA-N	1	0	368.231	1.914	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2	ZINC000818133444	943190748	/nfs/dbraw/zinc/19/07/48/943190748.db2.gz	KLOKJZKHRDGIDI-CHWSQXEVSA-N	1	0	353.806	1.282	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@]12C[C@H]1COC2	ZINC001170896658	943211047	/nfs/dbraw/zinc/21/10/47/943211047.db2.gz	YSVHARZEBZHKSH-UWVAXJGDSA-N	1	0	363.502	1.488	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])ccc1F	ZINC000818560194	943284555	/nfs/dbraw/zinc/28/45/55/943284555.db2.gz	CJUZGKABZJRKGO-IUODEOHRSA-N	1	0	369.462	1.632	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1	ZINC000818589132	943297559	/nfs/dbraw/zinc/29/75/59/943297559.db2.gz	RUWJQVNTUCGJFM-SQNIBIBYSA-N	1	0	355.486	1.685	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccc(Cl)c1	ZINC000818611847	943301749	/nfs/dbraw/zinc/30/17/49/943301749.db2.gz	FLUHIWSKJZNFOZ-SJLPKXTDSA-N	1	0	361.873	1.931	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)cc1	ZINC001086822105	943325480	/nfs/dbraw/zinc/32/54/80/943325480.db2.gz	PYQJVBDJEILYRV-KVSKMBFKSA-N	1	0	369.465	1.465	20	30		FDEDRO
C=C[C@@H]1C[C@]1(Nc1nc(N2CCC(C[NH3+])CC2)ncc1C)C(=O)OCC	ZINC001170914507	943339385	/nfs/dbraw/zinc/33/93/85/943339385.db2.gz	HNQTTZKVVIOQQA-DNVCBOLYSA-N	1	0	359.474	1.880	20	30		FDEDRO
CN(C)c1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1F	ZINC000818985614	943371924	/nfs/dbraw/zinc/37/19/24/943371924.db2.gz	WNQSCTJWJCVBCO-UHFFFAOYSA-N	1	0	362.430	1.722	20	30		FDEDRO
O=C(NCC[NH2+]C[C@H](O)COc1ccccc1Cl)C1N=CC=CC1=O	ZINC000819052257	943396210	/nfs/dbraw/zinc/39/62/10/943396210.db2.gz	AUIOSCRNICMXBR-ZFHSLQLHSA-N	1	0	365.817	1.196	20	30		FDEDRO
CCOC(=O)N1CC[C@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000819238780	943476973	/nfs/dbraw/zinc/47/69/73/943476973.db2.gz	LYFNNFFDSWMKCH-AWEZNQCLSA-N	1	0	351.428	1.152	20	30		FDEDRO
C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000819262745	943515821	/nfs/dbraw/zinc/51/58/21/943515821.db2.gz	OCOGADADJCRFLR-ZDUSSCGKSA-N	1	0	367.471	1.835	20	30		FDEDRO
COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@H]3CC[C@@H](CC#N)C3)CC2)cc1	ZINC000819343438	943534322	/nfs/dbraw/zinc/53/43/22/943534322.db2.gz	LBLMPXQZBSSNTR-CMKODMSKSA-N	1	0	372.513	1.850	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CNc2ccc(S(C)(=O)=O)cc2)CC1	ZINC000820196644	943944958	/nfs/dbraw/zinc/94/49/58/943944958.db2.gz	GLFROUCTUOMGPQ-UHFFFAOYSA-N	1	0	363.483	1.106	20	30		FDEDRO
C[C@@H](C(=O)N[C@@H]1CCCN(O)C1=O)[NH+]1CCC(Cc2ccccc2)CC1	ZINC000820482188	944066241	/nfs/dbraw/zinc/06/62/41/944066241.db2.gz	FPYMOQQFEFZPRP-MAUKXSAKSA-N	1	0	359.470	1.826	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC1CC(C[NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC000961943561	1013057204	/nfs/dbraw/zinc/05/72/04/1013057204.db2.gz	VRZONXMKMOXOLN-QZXDYEHLSA-N	1	0	361.417	1.486	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C)CCN2Cc2ccccc2)CC1	ZINC000856328409	971069068	/nfs/dbraw/zinc/06/90/68/971069068.db2.gz	UJEWNWMYJROTRW-OAQYLSRUSA-N	1	0	368.525	1.264	20	30		FDEDRO
CCS(=O)(=O)c1ccc(C(=O)N(CCC#N)CCC[NH+](C)C)c(N)c1	ZINC001136411162	944321078	/nfs/dbraw/zinc/32/10/78/944321078.db2.gz	CQPLTNCRGHAUGH-UHFFFAOYSA-N	1	0	366.487	1.370	20	30		FDEDRO
C#CCN1C(=O)C[C@@H]([NH+]2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)C1=O	ZINC000821771892	944658093	/nfs/dbraw/zinc/65/80/93/944658093.db2.gz	SFRWWHLOQQDBAC-DZGCQCFKSA-N	1	0	363.458	1.372	20	30		FDEDRO
CN(CCC[NH+](C)C)CCNC(=O)Nc1ccc(F)cc1OCC#N	ZINC000821860970	944738243	/nfs/dbraw/zinc/73/82/43/944738243.db2.gz	LBLHLDYIJDCZHY-UHFFFAOYSA-N	1	0	351.426	1.733	20	30		FDEDRO
COC(=O)c1ccc(C(=[NH2+])Nc2cn(C)c(=O)cc2Br)cc1	ZINC001170983859	944931383	/nfs/dbraw/zinc/93/13/83/944931383.db2.gz	GTQYPGXNJFHQTA-UHFFFAOYSA-N	1	0	364.199	1.971	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C	ZINC000822452185	945006823	/nfs/dbraw/zinc/00/68/23/945006823.db2.gz	WCULWHQPPWHGSN-CQSZACIVSA-N	1	0	361.446	1.461	20	30		FDEDRO
Cc1nc(N2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)ccc1C#N	ZINC001090711205	945936196	/nfs/dbraw/zinc/93/61/96/945936196.db2.gz	JCTOHWNRKFSCRZ-RVKKMQEKSA-N	1	0	371.485	1.171	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C)[NH+]1CCCCC1	ZINC001090720865	945968439	/nfs/dbraw/zinc/96/84/39/945968439.db2.gz	FIGSKCJGVBUSKB-SUMDDJOVSA-N	1	0	370.501	1.800	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1	ZINC001090731081	946027684	/nfs/dbraw/zinc/02/76/84/946027684.db2.gz	OLEQJYPQGZMZLU-NVXWUHKLSA-N	1	0	356.474	1.555	20	30		FDEDRO
N#CC1(CCC[N@@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)CCOCC1	ZINC000856557493	971227982	/nfs/dbraw/zinc/22/79/82/971227982.db2.gz	OMVIEWJFXTUOFF-ZWKOTPCHSA-N	1	0	356.470	1.937	20	30		FDEDRO
C#CCC[NH+]1CCN(c2ccc(Br)cc2-c2nn[nH]n2)CC1	ZINC000823845393	946490604	/nfs/dbraw/zinc/49/06/04/946490604.db2.gz	QMBANNLISKXVLZ-UHFFFAOYSA-N	1	0	361.247	1.775	20	30		FDEDRO
CC[N@H+](C)Cc1cc(O[C@H]2CCN([C@@H](C)C(=O)N(C)CCC#N)C2)ccn1	ZINC000856592102	971241024	/nfs/dbraw/zinc/24/10/24/971241024.db2.gz	FHSOCDHFUCIXMD-LPHOPBHVSA-N	1	0	373.501	1.747	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1C	ZINC001090778533	946570070	/nfs/dbraw/zinc/57/00/70/946570070.db2.gz	ZCQWFBOSVDZDCT-UHOFOFEASA-N	1	0	365.428	1.713	20	30		FDEDRO
C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cnn(C)c3C(=O)OCC)C2)C1=O	ZINC001136904040	946574849	/nfs/dbraw/zinc/57/48/49/946574849.db2.gz	BHQAOKREXSWYIS-LJQANCHMSA-N	1	0	360.458	1.597	20	30		FDEDRO
C#CCCCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1	ZINC001573284712	946755293	/nfs/dbraw/zinc/75/52/93/946755293.db2.gz	JRKZAFPTOMVSTL-HNNXBMFYSA-N	1	0	370.432	1.890	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1	ZINC000824861046	946815482	/nfs/dbraw/zinc/81/54/82/946815482.db2.gz	FGHJAOIWHOEKJQ-XHSDSOJGSA-N	1	0	367.490	1.683	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001573293101	946948741	/nfs/dbraw/zinc/94/87/41/946948741.db2.gz	MBQRKVDZZYSNHZ-MRVPVSSYSA-N	1	0	368.239	1.059	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H](C)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573293517	946960314	/nfs/dbraw/zinc/96/03/14/946960314.db2.gz	YRUDPSIMCKAWRK-SECBINFHSA-N	1	0	368.239	1.154	20	30		FDEDRO
CC(C)N(CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1)C(=O)[C@@H](C)C#N	ZINC001573561376	946962405	/nfs/dbraw/zinc/96/24/05/946962405.db2.gz	JVSMZKZKNKPMSL-LBPRGKRZSA-N	1	0	361.475	1.757	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)C1CC([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573561866	946968124	/nfs/dbraw/zinc/96/81/24/946968124.db2.gz	NZZZMUIBIPERKR-QFWMXSHPSA-N	1	0	357.393	1.244	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc(-n3ccnc3)c1)C2	ZINC001110109057	946974405	/nfs/dbraw/zinc/97/44/05/946974405.db2.gz	YYRBXMRDOCAUEO-SQNIBIBYSA-N	1	0	367.453	1.805	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1	ZINC001573562665	946977149	/nfs/dbraw/zinc/97/71/49/946977149.db2.gz	VPRJORBESKABTH-MEDUHNTESA-N	1	0	371.420	1.492	20	30		FDEDRO
C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1	ZINC001573294853	947000081	/nfs/dbraw/zinc/00/00/81/947000081.db2.gz	IPQBYFNYWXIJIS-GFCCVEGCSA-N	1	0	363.853	1.731	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC([C@@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)CC1	ZINC001573565279	947004012	/nfs/dbraw/zinc/00/40/12/947004012.db2.gz	PSWQPKNESDABQY-ZIAGYGMSSA-N	1	0	367.457	1.743	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1CC	ZINC001573295230	947011625	/nfs/dbraw/zinc/01/16/25/947011625.db2.gz	MRQMWTIDVJVTLD-DGCLKSJQSA-N	1	0	363.853	1.778	20	30		FDEDRO
C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1	ZINC001573295340	947014502	/nfs/dbraw/zinc/01/45/02/947014502.db2.gz	PEHSXDFBIFMUMG-GFCCVEGCSA-N	1	0	363.853	1.731	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573565962	947018002	/nfs/dbraw/zinc/01/80/02/947018002.db2.gz	XPWAPQCYANJEOY-SCLBCKFNSA-N	1	0	353.430	1.355	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001573295604	947021623	/nfs/dbraw/zinc/02/16/23/947021623.db2.gz	RXCUSUYWUCNETA-SMDDNHRTSA-N	1	0	363.853	1.920	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1	ZINC001573566990	947035429	/nfs/dbraw/zinc/03/54/29/947035429.db2.gz	ITYRYLBNVMLXPF-NWDGAFQWSA-N	1	0	359.459	1.559	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1	ZINC001573570207	947085693	/nfs/dbraw/zinc/08/56/93/947085693.db2.gz	MCSVQOQNMLQKNB-UPJWGTAASA-N	1	0	373.486	1.805	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)[C@H](C)C1	ZINC001573570488	947088801	/nfs/dbraw/zinc/08/88/01/947088801.db2.gz	QCGGWXRTXICQKX-OUCADQQQSA-N	1	0	371.420	1.350	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C(C)(C)C	ZINC001573572064	947108354	/nfs/dbraw/zinc/10/83/54/947108354.db2.gz	DOBASCDEELGUPB-NHYWBVRUSA-N	1	0	373.436	1.786	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1	ZINC001573300324	947109544	/nfs/dbraw/zinc/10/95/44/947109544.db2.gz	XMTDTGNJSJDVIZ-HAQNSBGRSA-N	1	0	363.853	1.826	20	30		FDEDRO
C[C@H](C#N)C(=O)NC1CCC([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1	ZINC001573572223	947111282	/nfs/dbraw/zinc/11/12/82/947111282.db2.gz	FXEIIJORSODMTI-LRVUVFPRSA-N	1	0	353.430	1.543	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@H](CCCC)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573300474	947113508	/nfs/dbraw/zinc/11/35/08/947113508.db2.gz	YBCPIDDCGXVGPR-LBPRGKRZSA-N	1	0	351.842	1.826	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1	ZINC001573572905	947117192	/nfs/dbraw/zinc/11/71/92/947117192.db2.gz	KSYUXTXAIUBZPF-DZGCQCFKSA-N	1	0	353.430	1.497	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573575406	947138861	/nfs/dbraw/zinc/13/88/61/947138861.db2.gz	YOUXCTGLFTYCMM-RJCAOGMDSA-N	1	0	365.441	1.638	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC1(C)CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1	ZINC001573577442	947167650	/nfs/dbraw/zinc/16/76/50/947167650.db2.gz	PNYLEPSRHCDXAS-AWEZNQCLSA-N	1	0	367.457	1.745	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC1([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCCC1	ZINC001573577523	947170158	/nfs/dbraw/zinc/17/01/58/947170158.db2.gz	QTSLVCBEWXDGQQ-LBPRGKRZSA-N	1	0	371.420	1.684	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CCCCC1	ZINC001573578099	947180272	/nfs/dbraw/zinc/18/02/72/947180272.db2.gz	YIKIETCIYAGWHN-CQSZACIVSA-N	1	0	367.457	1.935	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573309546	947204027	/nfs/dbraw/zinc/20/40/27/947204027.db2.gz	KKEILZFDDKIHEM-RDTXWAMCSA-N	1	0	374.420	1.023	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCCC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1	ZINC001573583532	947206541	/nfs/dbraw/zinc/20/65/41/947206541.db2.gz	MTDZSXYGFYBLHI-LBPRGKRZSA-N	1	0	354.418	1.144	20	30		FDEDRO
CC(C)[C@@H](CCNC(=O)[C@H](C)C#N)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573584224	947217012	/nfs/dbraw/zinc/21/70/12/947217012.db2.gz	RNGHQDOXBYUNSB-MLGOLLRUSA-N	1	0	373.436	1.786	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573584310	947219426	/nfs/dbraw/zinc/21/94/26/947219426.db2.gz	SXSBEPFVDIDHJM-FZMZJTMJSA-N	1	0	357.393	1.246	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)NCCN(CCC)c1cc(C)[nH+]cc1-c1nn[nH]n1	ZINC001573310585	947223820	/nfs/dbraw/zinc/22/38/20/947223820.db2.gz	YGBBCIOMOGTTNR-SFHVURJKSA-N	1	0	373.461	1.230	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@@H]1C[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]1C	ZINC001573584575	947226815	/nfs/dbraw/zinc/22/68/15/947226815.db2.gz	YMYFMMPLJFARCF-OUCADQQQSA-N	1	0	371.420	1.350	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H](C)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC001573585096	947246375	/nfs/dbraw/zinc/24/63/75/947246375.db2.gz	KIGQVZGDLRUCRA-KBPBESRZSA-N	1	0	367.457	1.743	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573585442	947257977	/nfs/dbraw/zinc/25/79/77/947257977.db2.gz	PCIDXVKVAKTGML-TYNCELHUSA-N	1	0	371.420	1.540	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573585585	947263980	/nfs/dbraw/zinc/26/39/80/947263980.db2.gz	SOJYIDJLRYIYEQ-JTNHKYCSSA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573585727	947266286	/nfs/dbraw/zinc/26/62/86/947266286.db2.gz	VPVFYNYEAWUBCR-TYNCELHUSA-N	1	0	371.420	1.540	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2[NH2+]Cc2cnns2)cc1	ZINC001090866499	947404410	/nfs/dbraw/zinc/40/44/10/947404410.db2.gz	FHYCUXTUTUNFMO-OAUYIBNBSA-N	1	0	371.466	1.791	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@H]2NCC#N)cc1	ZINC001090871185	947425081	/nfs/dbraw/zinc/42/50/81/947425081.db2.gz	WNBHGQOZEQUDRM-ZCNNSNEGSA-N	1	0	370.497	1.976	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O	ZINC001573333907	947444466	/nfs/dbraw/zinc/44/44/66/947444466.db2.gz	HKDRGUITZLEJNY-SJORKVTESA-N	1	0	370.457	1.274	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573343306	947554753	/nfs/dbraw/zinc/55/47/53/947554753.db2.gz	MSJOXPVUKCFZAP-AWEZNQCLSA-N	1	0	356.430	1.007	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F	ZINC001573350916	947605463	/nfs/dbraw/zinc/60/54/63/947605463.db2.gz	LDTQJUXVSYWEAA-PEYYIBSZSA-N	1	0	374.420	1.191	20	30		FDEDRO
C[C@H]1C[N@H+](CCO)CCN1CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC001171099004	947616594	/nfs/dbraw/zinc/61/65/94/947616594.db2.gz	NXYNYGAXNIIPLA-ZDUSSCGKSA-N	1	0	362.499	1.435	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@H]1c1ccc(OC)cc1	ZINC001090884566	947645390	/nfs/dbraw/zinc/64/53/90/947645390.db2.gz	WCZDBIXZRVAPHC-ZWKOTPCHSA-N	1	0	366.465	1.913	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2nonc2C)C[C@H]1c1ccc(OC)cc1	ZINC001090884612	947645430	/nfs/dbraw/zinc/64/54/30/947645430.db2.gz	DXLDNZCLPGPGCP-FUHWJXTLSA-N	1	0	356.426	1.699	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cncn3)c2)C1	ZINC001196046337	971428072	/nfs/dbraw/zinc/42/80/72/971428072.db2.gz	SJETYRPXGVLRMM-RTBURBONSA-N	1	0	369.469	1.789	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CN2Cc3ccccc3OC2=O)c1C#N	ZINC000844130669	947787029	/nfs/dbraw/zinc/78/70/29/947787029.db2.gz	DVOBWRKHKJAWSW-UHFFFAOYSA-N	1	0	368.397	1.386	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3cc(C)nc3C1)C2	ZINC001110713940	971445454	/nfs/dbraw/zinc/44/54/54/971445454.db2.gz	UZUBSIZSMAZNNL-MLHJIOFPSA-N	1	0	358.486	1.678	20	30		FDEDRO
C[N@H+](CCC(=O)NCC(=O)c1ccccc1)C[C@H](O)c1cccc(C#N)c1	ZINC000844371445	948000842	/nfs/dbraw/zinc/00/08/42/948000842.db2.gz	OIKYKKXGZUHYPM-FQEVSTJZSA-N	1	0	365.433	1.913	20	30		FDEDRO
COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N	ZINC000844392099	948023176	/nfs/dbraw/zinc/02/31/76/948023176.db2.gz	GZZOXUZWYHBGFJ-ZNMIVQPWSA-N	1	0	352.394	1.305	20	30		FDEDRO
CC(C)(C)OC(=O)NC1CC[NH+]([C@H]2CCN(C(=O)CCS)C2)CC1	ZINC001143986347	948072491	/nfs/dbraw/zinc/07/24/91/948072491.db2.gz	JLMTVJLVMGIYRN-AWEZNQCLSA-N	1	0	357.520	1.896	20	30		FDEDRO
C=CC[C@@H](C)C(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1	ZINC001144015375	948117464	/nfs/dbraw/zinc/11/74/64/948117464.db2.gz	WNBAQEMFOLCAPJ-NVXWUHKLSA-N	1	0	361.490	1.566	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)nc1	ZINC001144157586	948300575	/nfs/dbraw/zinc/30/05/75/948300575.db2.gz	PABSKXDBTUQRFI-SFHVURJKSA-N	1	0	370.453	1.041	20	30		FDEDRO
C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@H+](Cc1ccc(C#N)cn1)C2	ZINC001144157703	948300937	/nfs/dbraw/zinc/30/09/37/948300937.db2.gz	UCNJMKPKSUWEND-FQEVSTJZSA-N	1	0	353.470	1.636	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H](Nc2cc(C)ncc2C#N)C1	ZINC001091008337	948402294	/nfs/dbraw/zinc/40/22/94/948402294.db2.gz	YQPYOWBSLYZVMP-RPVQJOFSSA-N	1	0	361.465	1.622	20	30		FDEDRO
C=C(Cc1ccccc1)C(=O)N1CC[C@@H]2C[N@H+](CCOC)CCO[C@@H]2C1	ZINC001144390479	948885702	/nfs/dbraw/zinc/88/57/02/948885702.db2.gz	UYGYYBFOYAESMM-WOJBJXKFSA-N	1	0	358.482	1.981	20	30		FDEDRO
CCN(OC)C(=O)CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000845281551	948952042	/nfs/dbraw/zinc/95/20/42/948952042.db2.gz	LVEMRZGEMPKGSY-UHFFFAOYSA-N	1	0	373.457	1.232	20	30		FDEDRO
CC(=O)N[C@@H](CS)C(=O)N1CCN(c2cc(C)[nH+]c3ccccc32)CC1	ZINC001144402620	949002514	/nfs/dbraw/zinc/00/25/14/949002514.db2.gz	ZSSPRZRXFSNUFL-KRWDZBQOSA-N	1	0	372.494	1.626	20	30		FDEDRO
CC(=O)N[C@@H](CS)C(=O)NCCCP(CCC[NH3+])c1ccccc1	ZINC001144415434	949054680	/nfs/dbraw/zinc/05/46/80/949054680.db2.gz	NPSZARRRSADELL-GZWBLTSWSA-N	1	0	369.471	1.083	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N1CC[NH2+][C@@H](c2cccc(OC)c2)C1	ZINC001196226376	971564220	/nfs/dbraw/zinc/56/42/20/971564220.db2.gz	AGLMAANMCWELJE-MRXNPFEDSA-N	1	0	352.460	1.122	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(C2CCC2)C2CCC2)C1	ZINC001196228239	971566302	/nfs/dbraw/zinc/56/63/02/971566302.db2.gz	OHPFKDFMJPWPOH-RTBURBONSA-N	1	0	350.503	1.957	20	30		FDEDRO
CC(C)(C)C#CC(=O)N[C@@H]1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1	ZINC001573792790	949268790	/nfs/dbraw/zinc/26/87/90/949268790.db2.gz	DRFAJIZPNPSBQE-UKRRQHHQSA-N	1	0	367.457	1.430	20	30		FDEDRO
CC(C)(C)C#CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21	ZINC001573793529	949298254	/nfs/dbraw/zinc/29/82/54/949298254.db2.gz	TXQYNGFQTUZBED-VIKVFOODSA-N	1	0	370.482	1.524	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@@H](NC(=O)CCCC[NH+]3CCCC3)[C@@H](O)C2)n1	ZINC001091119641	949371066	/nfs/dbraw/zinc/37/10/66/949371066.db2.gz	MNDHLIJCWCAPNE-MSOLQXFVSA-N	1	0	371.485	1.194	20	30		FDEDRO
C=C(C)CONC(=O)N1CCC(C(=O)NCCC[NH+](CC)CC)CC1	ZINC000845591048	949681126	/nfs/dbraw/zinc/68/11/26/949681126.db2.gz	GQMYJGOXYDZZQV-UHFFFAOYSA-N	1	0	354.495	1.764	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(C(N)=O)cn2)C1	ZINC001196284712	971606546	/nfs/dbraw/zinc/60/65/46/971606546.db2.gz	ZLQCMUUJFZGPFZ-IAGOWNOFSA-N	1	0	362.474	1.234	20	30		FDEDRO
C#Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(CCOC)CCN3C)cc1	ZINC001144569071	949946922	/nfs/dbraw/zinc/94/69/22/949946922.db2.gz	IXUZILMMLKPNHO-UHFFFAOYSA-N	1	0	355.482	1.423	20	30		FDEDRO
C[C@H](Cc1cccc(C#N)c1)n1nc(C(=O)N2CCOCC2)c2c1C[NH2+]C2	ZINC001171210941	950504955	/nfs/dbraw/zinc/50/49/55/950504955.db2.gz	AIYAYFUYNLBSOQ-CQSZACIVSA-N	1	0	365.437	1.634	20	30		FDEDRO
C=CCCN(OCc1ccccc1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1	ZINC000857244354	971670632	/nfs/dbraw/zinc/67/06/32/971670632.db2.gz	HHGIVDTYIFRGFZ-PXNSSMCTSA-N	1	0	357.454	1.863	20	30		FDEDRO
CN(CCN(CC[NH+]1CCCCC1)C(=O)C#CC1CC1)C(=O)C#CC1CC1	ZINC000846127111	950534343	/nfs/dbraw/zinc/53/43/43/950534343.db2.gz	AEZCAQQXFJNQDF-UHFFFAOYSA-N	1	0	369.509	1.586	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(F)cccc2NC(N)=O)C1	ZINC001196445739	971674548	/nfs/dbraw/zinc/67/45/48/971674548.db2.gz	LKNMLWYHUDXUNV-KCPJHIHWSA-N	1	0	364.421	1.446	20	30		FDEDRO
C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(=O)n1OCc1ccccc1	ZINC001196465742	971697521	/nfs/dbraw/zinc/69/75/21/971697521.db2.gz	UKSRBPRHLASZLK-SFHVURJKSA-N	1	0	367.449	1.857	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC([NH2+]Cc2nnc3n2CCCC3)C1	ZINC001091239513	951129619	/nfs/dbraw/zinc/12/96/19/951129619.db2.gz	XTYCIQKEMZRUOL-FJBKBRRZSA-N	1	0	359.474	1.190	20	30		FDEDRO
C=C(Br)C[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1	ZINC001091244987	951148866	/nfs/dbraw/zinc/14/88/66/951148866.db2.gz	ISAFFADNENDVKS-RIXNLZLZSA-N	1	0	367.291	1.917	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)nn(C)c2OC)C1	ZINC001196518981	971729724	/nfs/dbraw/zinc/72/97/24/971729724.db2.gz	ITAAAAYCIJZFJW-HUUCEWRRSA-N	1	0	350.463	1.258	20	30		FDEDRO
Cc1cc(N[C@@H]2CCCC[C@H]2NC(=O)[C@@H](C2CC2)[NH+](C)C)c(C#N)cn1	ZINC001091281394	951304916	/nfs/dbraw/zinc/30/49/16/951304916.db2.gz	INWMSLIIVUZVGQ-ZHALLVOQSA-N	1	0	355.486	1.863	20	30		FDEDRO
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1	ZINC000846730530	951501227	/nfs/dbraw/zinc/50/12/27/951501227.db2.gz	IEGFZKWLXASMOH-KSZLIROESA-N	1	0	372.469	1.039	20	30		FDEDRO
CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)NC1CCC([NH+](C)C)CC1	ZINC000846740822	951548414	/nfs/dbraw/zinc/54/84/14/951548414.db2.gz	OKBWELZPIBFIHV-DAWZGUTISA-N	1	0	372.469	1.039	20	30		FDEDRO
N=C(Nc1ccccc1C(=O)NC1CC[NH2+]CC1)c1ccc(C(N)=O)cc1	ZINC001171258902	951727867	/nfs/dbraw/zinc/72/78/67/951727867.db2.gz	OZLZFYJEXONBTN-UHFFFAOYSA-N	1	0	365.437	1.304	20	30		FDEDRO
C#C[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1	ZINC000847027358	951778252	/nfs/dbraw/zinc/77/82/52/951778252.db2.gz	ALYMKXMIAFCGEN-MRXNPFEDSA-N	1	0	356.426	1.589	20	30		FDEDRO
C#C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1	ZINC000847033619	951782885	/nfs/dbraw/zinc/78/28/85/951782885.db2.gz	YYAGIWRKOFHTDS-QGZVFWFLSA-N	1	0	369.465	1.120	20	30		FDEDRO
C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001575103412	951875575	/nfs/dbraw/zinc/87/55/75/951875575.db2.gz	UACKCUOHHGYGEC-LBPRGKRZSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[C@H](C[NH2+]Cc1ccc(C#N)cc1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001575103410	951876448	/nfs/dbraw/zinc/87/64/48/951876448.db2.gz	UACKCUOHHGYGEC-GFCCVEGCSA-N	1	0	364.413	1.317	20	30		FDEDRO
C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCN(CCOC)CC1	ZINC001146224491	952002908	/nfs/dbraw/zinc/00/29/08/952002908.db2.gz	TYQBNISCLFZZQR-RDTXWAMCSA-N	1	0	353.463	1.246	20	30		FDEDRO
C[C@]12CN(C(=O)c3nccnc3N)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001091549679	952011850	/nfs/dbraw/zinc/01/18/50/952011850.db2.gz	IBWWRBXFWHNGNN-UZLBHIALSA-N	1	0	362.437	1.525	20	30		FDEDRO
Cn1cc(CC[N@@H+]2C[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@]3(C)C2)cn1	ZINC001091574597	952111578	/nfs/dbraw/zinc/11/15/78/952111578.db2.gz	LSRALRWCOLDFHE-APWZRJJASA-N	1	0	352.442	1.256	20	30		FDEDRO
C[C@]12CN(C(=O)CCc3nnc[nH]3)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001091578947	952125429	/nfs/dbraw/zinc/12/54/29/952125429.db2.gz	PIVUIBXIFXQGNO-XLIONFOSSA-N	1	0	364.453	1.589	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1	ZINC001146934242	952256117	/nfs/dbraw/zinc/25/61/17/952256117.db2.gz	XIDJBRLHIJMVAH-WCFLWFBJSA-N	1	0	367.371	1.051	20	30		FDEDRO
C[C@]12CN(C(=O)CN3CCOCC3)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001091608284	952270615	/nfs/dbraw/zinc/27/06/15/952270615.db2.gz	QIRORIUIOUJBKY-IRLDBZIGSA-N	1	0	367.493	1.151	20	30		FDEDRO
Cn1ncc(C(=O)N2C[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@@]3(C)C2)c1N	ZINC001091617899	952325896	/nfs/dbraw/zinc/32/58/96/952325896.db2.gz	WABJKMDQBKBJII-UZLBHIALSA-N	1	0	364.453	1.468	20	30		FDEDRO
C#CCN1CCCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC1	ZINC001147283868	952364305	/nfs/dbraw/zinc/36/43/05/952364305.db2.gz	WAGLHAOXJHBRRU-UHFFFAOYSA-N	1	0	368.525	1.756	20	30		FDEDRO
CC(C)[C@@H](O)C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@]2(C)C1	ZINC001091642788	952461825	/nfs/dbraw/zinc/46/18/25/952461825.db2.gz	CGUYRSQJWXNLJC-POAQFYNOSA-N	1	0	359.445	1.995	20	30		FDEDRO
CC(C)[C@@H](O)C(=O)N1C[C@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@]2(C)C1	ZINC001091643458	952464323	/nfs/dbraw/zinc/46/43/23/952464323.db2.gz	RLRNSNBIQBLCEF-POAQFYNOSA-N	1	0	359.445	1.995	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[C@@H](Nc2ccnc(C#N)n2)C1	ZINC001091646872	952485702	/nfs/dbraw/zinc/48/57/02/952485702.db2.gz	YTPBPDDEBNIGMY-XHSDSOJGSA-N	1	0	356.474	1.341	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)[C@H]2CC[C@H]([NH3+])CC2)cc1	ZINC001147701374	952487189	/nfs/dbraw/zinc/48/71/89/952487189.db2.gz	AVTGEJXCUVTPBE-SHTZXODSSA-N	1	0	367.409	1.672	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3c[nH]cc3-c3cnn(C)c3)C[C@]2(C)C1	ZINC001091667807	952563508	/nfs/dbraw/zinc/56/35/08/952563508.db2.gz	ZWDMXPMIAXRCJY-UZLBHIALSA-N	1	0	351.454	1.832	20	30		FDEDRO
C=C[C@H]1C[C@]1(NC(=O)c1ccc(CC[NH+]2CCCC2)nc1)C(=O)OCC	ZINC001147976559	952581874	/nfs/dbraw/zinc/58/18/74/952581874.db2.gz	XKUSYCUBZIMVSY-OXJNMPFZSA-N	1	0	357.454	1.958	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)C1=CN2C(=CC=C[C@@H]2C(F)(F)F)N1	ZINC001148023301	952594720	/nfs/dbraw/zinc/59/47/20/952594720.db2.gz	ZZNGEWSBCUMYNL-GXTWGEPZSA-N	1	0	354.376	1.842	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](C[C@H](O)CC(F)(F)F)C2	ZINC001148310980	952679945	/nfs/dbraw/zinc/67/99/45/952679945.db2.gz	SABGZJCVNRBQFQ-MCIONIFRSA-N	1	0	362.392	1.425	20	30		FDEDRO
C#Cc1cnc(NC(=O)c2ccc(N3CC[NH+](CC)CC3)cc2)c(C#C)n1	ZINC001148997223	952833109	/nfs/dbraw/zinc/83/31/09/952833109.db2.gz	CVVVPKHEICBCHZ-UHFFFAOYSA-N	1	0	359.433	1.833	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCc3cnn(C)c3)C2)cn1	ZINC001086857633	952875803	/nfs/dbraw/zinc/87/58/03/952875803.db2.gz	NKLQVGQMDRAZBL-HNAYVOBHSA-N	1	0	351.454	1.527	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cccc(OC)c3)C2)C1=O	ZINC001086861048	952883061	/nfs/dbraw/zinc/88/30/61/952883061.db2.gz	GHWZLEDINGERGQ-WDYCEAGBSA-N	1	0	371.481	1.970	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3C3CC3)C2)nc1	ZINC001086856036	952901976	/nfs/dbraw/zinc/90/19/76/952901976.db2.gz	GBAQESWSMZPYGD-LSDHHAIUSA-N	1	0	365.441	1.073	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc(C(C)C)[nH]3)C2)nc1	ZINC001086856188	952902465	/nfs/dbraw/zinc/90/24/65/952902465.db2.gz	MXHHEYASLKIYRW-JKSUJKDBSA-N	1	0	366.469	1.993	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H]3CCN(C(C)C)C3=O)C2)nc1	ZINC001086857239	952903873	/nfs/dbraw/zinc/90/38/73/952903873.db2.gz	RQXUJSKJKBKUIB-SCTDSRPQSA-N	1	0	368.481	1.560	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cncnc3CC)C2)C1=O	ZINC001086877274	952904281	/nfs/dbraw/zinc/90/42/81/952904281.db2.gz	JYTNFFFARGIVOC-DAYGRLMNSA-N	1	0	371.485	1.314	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2[NH2+]CCC2CC2)cn1	ZINC001086975532	952984932	/nfs/dbraw/zinc/98/49/32/952984932.db2.gz	SLQDIOJUUTUNPW-FUHWJXTLSA-N	1	0	352.442	1.618	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2[NH2+]C[C@H]2CCCOC2)cn1	ZINC001086978230	952989982	/nfs/dbraw/zinc/98/99/82/952989982.db2.gz	LHHVHSBXXHTMNR-NZSAHSFTSA-N	1	0	356.470	1.144	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2[NH2+]Cc2ccsc2)cn1	ZINC001086978742	952991011	/nfs/dbraw/zinc/99/10/11/952991011.db2.gz	NWASUBGLLJLDIH-ZWKOTPCHSA-N	1	0	354.479	1.979	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3n[nH]cc32)C[C@H]1c1cnn(C)c1	ZINC001086979208	952992305	/nfs/dbraw/zinc/99/23/05/952992305.db2.gz	OTUVNJWJIFSITL-HHXXYDBFSA-N	1	0	368.485	1.723	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(OC)ns2)C[C@H]1c1cnn(C)c1	ZINC001086979856	952994065	/nfs/dbraw/zinc/99/40/65/952994065.db2.gz	WSGMSXVKXVEQAN-UONOGXRCSA-N	1	0	361.471	1.659	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)(C)C)n[nH]2)C[C@H]1c1cnn(C)c1	ZINC001086985956	953004471	/nfs/dbraw/zinc/00/44/71/953004471.db2.gz	MZSVALSJRWYWGP-GOEBONIOSA-N	1	0	356.474	1.825	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn(C(C)(C)C)c2)C[C@H]1c1cnn(C)c1	ZINC001086985983	953004619	/nfs/dbraw/zinc/00/46/19/953004619.db2.gz	OJCKORULYYWMBS-DLBZAZTESA-N	1	0	354.458	1.203	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)[nH]c2=O)C[C@H]1c1cnn(C)c1	ZINC001086990095	953016762	/nfs/dbraw/zinc/01/67/62/953016762.db2.gz	JXZBWESKTXCOEC-JKSUJKDBSA-N	1	0	355.442	1.521	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1O	ZINC001196691828	971890437	/nfs/dbraw/zinc/89/04/37/971890437.db2.gz	KYRWHJSEJMUFSD-KZNAEPCWSA-N	1	0	351.491	1.199	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H]1O	ZINC001196691543	971890474	/nfs/dbraw/zinc/89/04/74/971890474.db2.gz	GXEAIZPLMSROST-GUDVDZBRSA-N	1	0	365.518	1.589	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc3c([nH]2)CCOC3)C[C@H]1c1cnn(C)c1	ZINC001086982018	953034486	/nfs/dbraw/zinc/03/44/86/953034486.db2.gz	PNCTXLJWYLGJIH-MAUKXSAKSA-N	1	0	355.442	1.205	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ncsc2C2CC2)C[C@H]1c1cnn(C)c1	ZINC001086996588	953037825	/nfs/dbraw/zinc/03/78/25/953037825.db2.gz	LUXAEWDVQBKLQD-LSDHHAIUSA-N	1	0	355.467	1.585	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C)C[C@H]1O	ZINC001196692007	971891576	/nfs/dbraw/zinc/89/15/76/971891576.db2.gz	QIFXCSAZWIWRFS-IPMKNSEASA-N	1	0	359.470	1.127	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3cc(F)ccc3O2)C[C@H]1c1cnn(C)c1	ZINC001086999495	953047429	/nfs/dbraw/zinc/04/74/29/953047429.db2.gz	IMZSHFJVWNDSGD-SCTDSRPQSA-N	1	0	370.428	1.633	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2ccnc2)C[C@H]1c1cnn(C)c1	ZINC001086999868	953048816	/nfs/dbraw/zinc/04/88/16/953048816.db2.gz	ZJHPUOVXLXYIFF-RYQLBKOJSA-N	1	0	356.474	1.728	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2oc(C3CC3)nc2C)C[C@H]1c1cnn(C)c1	ZINC001087001077	953053707	/nfs/dbraw/zinc/05/37/07/953053707.db2.gz	BKNJKUNTUQHTOR-JKSUJKDBSA-N	1	0	355.442	1.978	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c(C)nn(CC)c2C)C[C@H]1c1cnn(C)c1	ZINC001087002169	953056826	/nfs/dbraw/zinc/05/68/26/953056826.db2.gz	LKXCJGMALFUMMX-DLBZAZTESA-N	1	0	356.474	1.637	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccc3nc(C)[nH]c32)C[C@H]1c1cnn(C)c1	ZINC001087004348	953062232	/nfs/dbraw/zinc/06/22/32/953062232.db2.gz	UDDKIIUGFGRKNH-FUHWJXTLSA-N	1	0	364.453	1.989	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3cnccc3c2)C[C@H]1c1cnn(C)c1	ZINC001087004566	953062571	/nfs/dbraw/zinc/06/25/71/953062571.db2.gz	GANNNIQITDJALD-VQTJNVASSA-N	1	0	359.433	1.799	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nc3ccccn3c2F)C[C@H]1c1cnn(C)c1	ZINC001087004827	953063154	/nfs/dbraw/zinc/06/31/54/953063154.db2.gz	XWFRUKOVTFKVHO-LSDHHAIUSA-N	1	0	366.400	1.038	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn(C(C)C)c2C)C[C@H]1c1cnn(C)c1	ZINC001087004895	953063171	/nfs/dbraw/zinc/06/31/71/953063171.db2.gz	BWTSHZIQPVMOJZ-ZWKOTPCHSA-N	1	0	354.458	1.337	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cccn2)C[C@H]1c1cnn(C)c1	ZINC001087004842	953063263	/nfs/dbraw/zinc/06/32/63/953063263.db2.gz	YRUDIJCNNTYYOM-BPQIPLTHSA-N	1	0	356.474	1.728	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](OC)c2ccccc2)C[C@H]1c1cnn(C)c1	ZINC001087006605	953090619	/nfs/dbraw/zinc/09/06/19/953090619.db2.gz	LRIDWYWOMZSPMO-IPMKNSEASA-N	1	0	354.454	1.878	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2cccc(OC)c2)C[C@H]1c1cnn(C)c1	ZINC001087008570	953095930	/nfs/dbraw/zinc/09/59/30/953095930.db2.gz	MVWLRFUTCVWOGF-RBUKOAKNSA-N	1	0	354.454	1.741	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3c2CCCCC3)C[C@H]1c1cnn(C)c1	ZINC001087009521	953098439	/nfs/dbraw/zinc/09/84/39/953098439.db2.gz	KOJPNOHFSRTYRA-FUHWJXTLSA-N	1	0	368.485	1.796	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CN2CCc3ccccc32)C[C@H]1c1cnn(C)c1	ZINC001087009771	953099049	/nfs/dbraw/zinc/09/90/49/953099049.db2.gz	XVWODJYMGAGGFU-RBUKOAKNSA-N	1	0	365.481	1.553	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C(F)F)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001087013248	953109139	/nfs/dbraw/zinc/10/91/39/953109139.db2.gz	LOIFIYOIXNZNPN-GDBMZVCRSA-N	1	0	367.396	1.807	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001087028617	953117679	/nfs/dbraw/zinc/11/76/79/953117679.db2.gz	PPUTXELIDAKHRZ-CRAIPNDOSA-N	1	0	371.416	1.687	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](CC)OC)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001087033453	953135241	/nfs/dbraw/zinc/13/52/41/953135241.db2.gz	RVUYQHJOEDPROQ-KBRIMQKVSA-N	1	0	365.499	1.998	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CCC3CC3)C[C@H]2OCC)C1=O	ZINC001087037037	953149182	/nfs/dbraw/zinc/14/91/82/953149182.db2.gz	RSZSBMHXTFCOKW-KZNAEPCWSA-N	1	0	363.502	1.417	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1cnc(C)nc1	ZINC001087039994	953156217	/nfs/dbraw/zinc/15/62/17/953156217.db2.gz	MYLLXROHTSLGQS-SJLPKXTDSA-N	1	0	368.441	1.252	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087052691	953183899	/nfs/dbraw/zinc/18/38/99/953183899.db2.gz	HWBZOPQZPQQSJJ-WOJBJXKFSA-N	1	0	351.450	1.925	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1cc(OC)ccn1	ZINC001087052616	953183936	/nfs/dbraw/zinc/18/39/36/953183936.db2.gz	CWKGSEFUFVGLMN-VQIMIIECSA-N	1	0	357.454	1.457	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087053306	953185186	/nfs/dbraw/zinc/18/51/86/953185186.db2.gz	IJOKELMSRITBLZ-WOJBJXKFSA-N	1	0	351.450	1.925	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001087064872	953213937	/nfs/dbraw/zinc/21/39/37/953213937.db2.gz	XHBNIMUMCPYNTB-IAQYHMDHSA-N	1	0	360.443	1.005	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3cnn(C)c3)[C@H](OCC)C2)c1	ZINC001087082628	953241376	/nfs/dbraw/zinc/24/13/76/953241376.db2.gz	UHGHYVBJZFDGEQ-RTBURBONSA-N	1	0	367.453	1.063	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3nccs3)[C@H](OCC)C2)c1	ZINC001087082756	953241649	/nfs/dbraw/zinc/24/16/49/953241649.db2.gz	YAOHJKLYPPFCAO-IAGOWNOFSA-N	1	0	370.478	1.786	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ncc(C)o2)[C@H](OCC)C1	ZINC001087085646	953246738	/nfs/dbraw/zinc/24/67/38/953246738.db2.gz	POSZVJCFAXNWLK-WCXIOVBPSA-N	1	0	363.458	1.527	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ccccn3)[C@H](OCC)C2)nn1	ZINC001087089789	953253307	/nfs/dbraw/zinc/25/33/07/953253307.db2.gz	DTZXQUNULRLKRE-CRAIPNDOSA-N	1	0	370.457	1.126	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cnon2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001087092315	953256954	/nfs/dbraw/zinc/25/69/54/953256954.db2.gz	GDNXFFVHRFSVSD-IAQYHMDHSA-N	1	0	361.427	1.270	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3CCCC(=O)N3)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001091765998	953288620	/nfs/dbraw/zinc/28/86/20/953288620.db2.gz	FBNOBENTVXOTNU-OPYAIIAOSA-N	1	0	366.465	1.507	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ccsn4)C[C@]3(C)C2)C1=O	ZINC001091775565	953300037	/nfs/dbraw/zinc/30/00/37/953300037.db2.gz	WKZCWEZMRAASFM-SIIHOXLZSA-N	1	0	360.483	1.324	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@H]3C[N@@H+]([C@@H](C)C(=O)NC)C[C@@]3(C)C2)cc1	ZINC001091793486	953316801	/nfs/dbraw/zinc/31/68/01/953316801.db2.gz	IADZNWHQXZDSCN-XPIZARPCSA-N	1	0	371.481	1.780	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccnc(N4CCCC4)n3)C[C@]2(C)C1	ZINC001091796829	953323132	/nfs/dbraw/zinc/32/31/32/953323132.db2.gz	AWTLVXZZGYWMGH-UZLBHIALSA-N	1	0	353.470	1.494	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3sccc3-n3cnnn3)C[C@]2(C)C1	ZINC001091816050	953466974	/nfs/dbraw/zinc/46/69/74/953466974.db2.gz	YDCRMZFVUWMXQR-DYVFJYSZSA-N	1	0	358.471	1.694	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1C[C@@H]2CN(c3snc(C)c3C#N)CC[C@@H]2C1	ZINC001091855008	953551616	/nfs/dbraw/zinc/55/16/16/953551616.db2.gz	OAIUERDQDCQWAT-CABCVRRESA-N	1	0	361.515	1.950	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1C[C@H]2CCN(c3nc(C)cc(C#N)n3)C[C@H]2C1	ZINC001091859614	953581306	/nfs/dbraw/zinc/58/13/06/953581306.db2.gz	OMROWGMUOVENAI-CVEARBPZSA-N	1	0	356.474	1.283	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N2C[C@H]3CCN(c4ncc(C#N)cc4F)C[C@H]3C2)CC1	ZINC001091870586	953626674	/nfs/dbraw/zinc/62/66/74/953626674.db2.gz	WZQPCFUIHYQUHR-CVEARBPZSA-N	1	0	371.460	1.719	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)Cn3nc(C)c4cccnc43)C[C@]2(C)C1	ZINC001091873674	953635167	/nfs/dbraw/zinc/63/51/67/953635167.db2.gz	GMZWFRXKANXHMH-UZLBHIALSA-N	1	0	351.454	1.543	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(Cn4ccnn4)o3)C[C@]2(C)C1	ZINC001091876668	953646261	/nfs/dbraw/zinc/64/62/61/953646261.db2.gz	QVGMNXVSTUSVAI-BEFAXECRSA-N	1	0	353.426	1.337	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cc(C)co4)C[C@]3(C)C2)C1=O	ZINC001091938637	953789538	/nfs/dbraw/zinc/78/95/38/953789538.db2.gz	MJUSDNVHIFBGRN-QINHECLXSA-N	1	0	357.454	1.769	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3COCCN3C3CCCC3)C[C@]2(C)C1	ZINC001091946881	953811935	/nfs/dbraw/zinc/81/19/35/953811935.db2.gz	PPEVJMYFQBKYBV-LMNJBCLMSA-N	1	0	361.530	1.986	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3C[N@H+](C[C@@H](O)Cn4cccn4)C[C@@]3(C)C2)C1	ZINC001091994360	953909167	/nfs/dbraw/zinc/90/91/67/953909167.db2.gz	MDMOXUXNHJHBHB-HLIPFELVSA-N	1	0	358.486	1.381	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3C[N@H+](C[C@@H]4CCc5ncnn54)C[C@@]3(C)C2)C1	ZINC001091995880	953910933	/nfs/dbraw/zinc/91/09/33/953910933.db2.gz	LPFFVIQNCMXRLQ-GUXCAODWSA-N	1	0	355.486	1.902	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)C4(C)CC(=C)C4)C[C@]3(C)C2)C1=O	ZINC001091995970	953910970	/nfs/dbraw/zinc/91/09/70/953910970.db2.gz	NTKODCANTPNSNL-WWMYMODYSA-N	1	0	357.498	1.910	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)Cc4occc4C)C[C@]3(C)C2)C1=O	ZINC001091996869	953913461	/nfs/dbraw/zinc/91/34/61/953913461.db2.gz	BTUGTECKXJHREE-LZJOCLMNSA-N	1	0	371.481	1.698	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3C[N@@H+](Cc4cnc(C)o4)C[C@@]3(C)C2)c1	ZINC001091998275	953919204	/nfs/dbraw/zinc/91/92/04/953919204.db2.gz	ZCOAJKIJSRUMKI-XLIONFOSSA-N	1	0	350.422	1.953	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)[C@@H]1C)[NH+]1CCCC1	ZINC001091979546	953976722	/nfs/dbraw/zinc/97/67/22/953976722.db2.gz	JMEKNDHVYXIZLF-HFTRVMKXSA-N	1	0	356.474	1.552	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N3CCCC3)nc2)C1	ZINC001196969687	971991640	/nfs/dbraw/zinc/99/16/40/971991640.db2.gz	MWVCPJPJKREKLD-KBAYOESNSA-N	1	0	358.486	1.811	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3nnc4ccccc4c3O)C[C@]2(C)C1	ZINC001092063009	954182626	/nfs/dbraw/zinc/18/26/26/954182626.db2.gz	HLHQPSSCEMFSHG-VLIAUNLRSA-N	1	0	350.422	1.753	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)c3nnn(C)c3C(F)(F)F)C[C@]2(C)C1	ZINC001092079172	954225663	/nfs/dbraw/zinc/22/56/63/954225663.db2.gz	KQRHEQDNGLTLBW-ABAIWWIYSA-N	1	0	357.380	1.804	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3C[N@H+](Cc4ccns4)C[C@@]3(C)C2)nn1	ZINC001092079049	954226060	/nfs/dbraw/zinc/22/60/60/954226060.db2.gz	FVQPESLPUYIGCX-DYVFJYSZSA-N	1	0	358.471	1.515	20	30		FDEDRO
C[C@]12CN(C(=O)C[C@@H]3CCC(=O)N3)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001092093113	954262673	/nfs/dbraw/zinc/26/26/73/954262673.db2.gz	MYQVNMFQMXWZHG-DXIQSLLYSA-N	1	0	365.477	1.487	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(-n4ccnc4)nn3)C[C@]2(C)C1	ZINC001092094732	954271074	/nfs/dbraw/zinc/27/10/74/954271074.db2.gz	QWGMIQLGUBMLKP-BEFAXECRSA-N	1	0	352.442	1.632	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)Cc3cn4cccc(C)c4n3)C[C@]2(C)C1	ZINC001092098098	954291861	/nfs/dbraw/zinc/29/18/61/954291861.db2.gz	NEOFSWMXGSCGLO-UTKZUKDTSA-N	1	0	350.466	1.989	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3c[nH]nc3-c3cnn(C)c3)C[C@]2(C)C1	ZINC001092189320	954490241	/nfs/dbraw/zinc/49/02/41/954490241.db2.gz	COUOEYLMTROMKU-BEFAXECRSA-N	1	0	352.442	1.227	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3cc(OC)ccc23)C1	ZINC001196986094	972024316	/nfs/dbraw/zinc/02/43/16/972024316.db2.gz	WQMQGGOJZJKZJH-FDQGKXFDSA-N	1	0	358.442	1.473	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@H]2C[N@@H+]([C@H](CC)C(N)=O)C[C@@]2(C)C1	ZINC001092232217	954577159	/nfs/dbraw/zinc/57/71/59/954577159.db2.gz	BJBGAXLUQHZFDY-OPYAIIAOSA-N	1	0	353.466	1.255	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+]([C@@H](C)C(=O)NC4CC4)C[C@@]3(C)C2)nc1	ZINC001092211478	954619141	/nfs/dbraw/zinc/61/91/41/954619141.db2.gz	GYYOHWVWWNXFQX-PXARDIRTSA-N	1	0	366.465	1.124	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2cccnc2)C1	ZINC001197001012	972034248	/nfs/dbraw/zinc/03/42/48/972034248.db2.gz	PBBFNFROTALGAA-QZTJIDSGSA-N	1	0	369.469	1.993	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CN(c3ccncc3C#N)C[C@@]2(C)C1	ZINC001092300741	954750091	/nfs/dbraw/zinc/75/00/91/954750091.db2.gz	FQCFCHZAKLLMLI-UZLBHIALSA-N	1	0	355.486	1.968	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cccc(CNC(C)=O)c3)C[C@]2(C)C1	ZINC001092288705	954874826	/nfs/dbraw/zinc/87/48/26/954874826.db2.gz	ZVGPNPVGEIMLKU-CTNGQTDRSA-N	1	0	353.466	1.740	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1C[C@H]2CN(c3nccnc3C#N)C[C@@]2(C)C1	ZINC001092293627	954901057	/nfs/dbraw/zinc/90/10/57/954901057.db2.gz	PQEATRVTEJYDJK-HNAYVOBHSA-N	1	0	356.474	1.365	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1C[C@H]2CN(c3ccnc(C#N)n3)C[C@@]2(C)C1	ZINC001092293582	954901115	/nfs/dbraw/zinc/90/11/15/954901115.db2.gz	NZKGFOTTYZALSL-BEFAXECRSA-N	1	0	356.474	1.365	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CNC(=O)CC[NH+]1CCCCC1	ZINC001092374137	955048777	/nfs/dbraw/zinc/04/87/77/955048777.db2.gz	FDVHHZQCISSREC-HZPDHXFCSA-N	1	0	356.474	1.413	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CNC(=O)CC1([NH+](C)C)CCCC1	ZINC001092426275	955068856	/nfs/dbraw/zinc/06/88/56/955068856.db2.gz	YKKXZNFFTXIIAQ-HZPDHXFCSA-N	1	0	370.501	1.801	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H](CNC(=O)C[N@@H+]3CCC[C@@H]3C)[C@H](C)C2)n1	ZINC001092444897	955117621	/nfs/dbraw/zinc/11/76/21/955117621.db2.gz	KRQLPNUSXBRYNN-OWCLPIDISA-N	1	0	370.501	1.583	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@@H](CNC(=O)C[N@@H+]3CCC[C@@H]3C)[C@H](C)C2)n1	ZINC001092445436	955119169	/nfs/dbraw/zinc/11/91/69/955119169.db2.gz	SHBKJBWNITVOKF-UWWQBHOKSA-N	1	0	355.486	1.935	20	30		FDEDRO
C[C@@H]1CN(c2ccncc2C#N)C[C@H]1CNC(=O)C[N@@H+]1CCC(C)(C)C1	ZINC001092446314	955123298	/nfs/dbraw/zinc/12/32/98/955123298.db2.gz	OPMYJCGSDJHQPP-NVXWUHKLSA-N	1	0	355.486	1.874	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@H]1CN(C)CCO1	ZINC001092521900	955313267	/nfs/dbraw/zinc/31/32/67/955313267.db2.gz	GXAFDWZLWVUGCI-ATZDWAIDSA-N	1	0	356.470	1.073	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CCNC(=O)CC[NH+]1CCCCC1	ZINC001092523236	955319902	/nfs/dbraw/zinc/31/99/02/955319902.db2.gz	DAZKVYRUWKXJOG-IAGOWNOFSA-N	1	0	370.501	1.803	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC[C@@H]2CN(c3ccnc(C)n3)C[C@H]2C)CC1	ZINC001092523475	955320801	/nfs/dbraw/zinc/32/08/01/955320801.db2.gz	LGNCLPUVYYQBKK-VQIMIIECSA-N	1	0	369.513	1.709	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC001092552243	955408383	/nfs/dbraw/zinc/40/83/83/955408383.db2.gz	MQMXZKCRPGWEJU-GDBMZVCRSA-N	1	0	365.437	1.823	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC001092530819	955487962	/nfs/dbraw/zinc/48/79/62/955487962.db2.gz	MFJZPHQKDRRNPN-GDBMZVCRSA-N	1	0	357.458	1.197	20	30		FDEDRO
C[C@@H]1C[N@@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC001092532427	955497233	/nfs/dbraw/zinc/49/72/33/955497233.db2.gz	UUZNPOHNSOKKDV-UNEWFSDZSA-N	1	0	371.485	1.583	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CCNC(=O)[C@H]1CCCC[N@@H+]1C	ZINC001092598894	955608321	/nfs/dbraw/zinc/60/83/21/955608321.db2.gz	DQTSZLROEHJMQC-BZUAXINKSA-N	1	0	356.474	1.411	20	30		FDEDRO
C[C@@H]1CN(c2ccncc2C#N)C[C@H]1CCNC(=O)C1(C[NH+](C)C)CC1	ZINC001092574372	955693187	/nfs/dbraw/zinc/69/31/87/955693187.db2.gz	CJIJUMKKYFHSBG-HZPDHXFCSA-N	1	0	355.486	1.874	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)c1cnnn1C	ZINC001092578922	955709818	/nfs/dbraw/zinc/70/98/18/955709818.db2.gz	OIEXJXPGSVUEMU-GDBMZVCRSA-N	1	0	368.441	1.215	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1CNC(=O)c1cnnn1C	ZINC001092582932	955727379	/nfs/dbraw/zinc/72/73/79/955727379.db2.gz	ZQJHCILIJLQTGF-GDBMZVCRSA-N	1	0	371.872	1.818	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)c1ncn(C)n1	ZINC001092583806	955728533	/nfs/dbraw/zinc/72/85/33/955728533.db2.gz	SAHIGLSXXXFJRJ-GDBMZVCRSA-N	1	0	368.441	1.215	20	30		FDEDRO
C=C(Br)CN1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](C)C1	ZINC001092620578	955853218	/nfs/dbraw/zinc/85/32/18/955853218.db2.gz	PMMNORYORGDHRD-NMFUWQPSSA-N	1	0	358.324	1.919	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1CNc1ccnc(C#N)n1	ZINC001092652916	955872262	/nfs/dbraw/zinc/87/22/62/955872262.db2.gz	HLHLETHTJGZIRF-IAGOWNOFSA-N	1	0	370.501	1.543	20	30		FDEDRO
C[NH+](C)C1(C(=O)NC[C@]23CCC[C@H]2N(c2cnc(C#N)cn2)CC3)CCC1	ZINC001092704463	956113528	/nfs/dbraw/zinc/11/35/28/956113528.db2.gz	GRQXOSUPDKFKOL-VQIMIIECSA-N	1	0	368.485	1.698	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CCN(C)C(=O)C1	ZINC001092740541	956237192	/nfs/dbraw/zinc/23/71/92/956237192.db2.gz	PVVINYRDPNQYJB-YZGWKJHDSA-N	1	0	367.493	1.591	20	30		FDEDRO
C=CCOc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@H](C)C(=O)NC)C[C@H]2C)cc1	ZINC001092740469	956237379	/nfs/dbraw/zinc/23/73/79/956237379.db2.gz	NPRVMAZSMUEPSW-BFYDXBDKSA-N	1	0	359.470	1.684	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2cnc3sccn3c2=O)[C@H](C)C1	ZINC001092795066	956338882	/nfs/dbraw/zinc/33/88/82/956338882.db2.gz	DDUYANFUXCQFGE-ZYHUDNBSSA-N	1	0	366.874	1.806	20	30		FDEDRO
N#Cc1nccnc1N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2	ZINC001092844808	956477963	/nfs/dbraw/zinc/47/79/63/956477963.db2.gz	ODOFBBOALKPHID-VYDXJSESSA-N	1	0	354.458	1.450	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1)[NH+]1CCCC1	ZINC001092850659	956558287	/nfs/dbraw/zinc/55/82/87/956558287.db2.gz	VXMNAUZMVUTMGC-DFEOGRTESA-N	1	0	368.485	1.695	20	30		FDEDRO
CC[NH+](CC)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N)C(C)C	ZINC001092867077	956583997	/nfs/dbraw/zinc/58/39/97/956583997.db2.gz	YVHIGFIORNLHEF-MXSMSXNCSA-N	1	0	370.501	1.941	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@H]2C)cc1	ZINC001092876935	956626834	/nfs/dbraw/zinc/62/68/34/956626834.db2.gz	RNCRZXUQZNDMOF-YLJYHZDGSA-N	1	0	367.493	1.978	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2cn(C)nc2[C@@H]2CCOC2)[C@H](C)C1	ZINC001092857364	956707883	/nfs/dbraw/zinc/70/78/83/956707883.db2.gz	ASCZRFCSZZTCTI-BPLDGKMQSA-N	1	0	366.893	1.974	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3occ4c3CCC4)[C@H](C)C2)C1=O	ZINC001092858964	956714228	/nfs/dbraw/zinc/71/42/28/956714228.db2.gz	UALJJUCZFVKUKH-QGPMSJSTSA-N	1	0	371.481	1.853	20	30		FDEDRO
C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cccc(F)c1C#N	ZINC001092859758	956716617	/nfs/dbraw/zinc/71/66/17/956716617.db2.gz	OCKATMIUDINDBE-SKDZVZGDSA-N	1	0	360.433	1.501	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@@H]1CCC(=O)N1C	ZINC001092893366	956811936	/nfs/dbraw/zinc/81/19/36/956811936.db2.gz	QFTQJZKFWMARLM-OLMNPRSZSA-N	1	0	354.454	1.363	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[N@@H+](Cc3cn(C)nc3C)C[C@H]2C)c1	ZINC001092951674	956882853	/nfs/dbraw/zinc/88/28/53/956882853.db2.gz	FZNUYNJMMBUCKJ-RDTXWAMCSA-N	1	0	351.454	1.603	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[N@H+](Cc3ccnc(OC)c3)C[C@H]2C)c1	ZINC001092952492	956886575	/nfs/dbraw/zinc/88/65/75/956886575.db2.gz	LJGZBVBEMOSTBF-DNVCBOLYSA-N	1	0	364.449	1.964	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[N@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]2C)c1	ZINC001092954096	956891000	/nfs/dbraw/zinc/89/10/00/956891000.db2.gz	GKGVFOVOXNDGGU-ATZDWAIDSA-N	1	0	368.481	1.370	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1	ZINC001092926753	956931305	/nfs/dbraw/zinc/93/13/05/956931305.db2.gz	NUCVRSVKRYNDFH-NCOADZHNSA-N	1	0	354.458	1.449	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)c1ccc(C(N)=O)[nH]1	ZINC001092968906	957013749	/nfs/dbraw/zinc/01/37/49/957013749.db2.gz	CFMNILRAJMEVBL-VXGBXAGGSA-N	1	0	371.466	1.545	20	30		FDEDRO
CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1)C(C)C	ZINC001092999568	957099527	/nfs/dbraw/zinc/09/95/27/957099527.db2.gz	PCROMRWOTSMQEJ-OAFZBRQQSA-N	1	0	370.501	1.941	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3nc(C)oc3C)C[C@H]2C)nn1	ZINC001093035125	957252393	/nfs/dbraw/zinc/25/23/93/957252393.db2.gz	OFUUBNBUMKUCBF-IUODEOHRSA-N	1	0	358.446	1.567	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](C[C@@H]3CC(C)(C)CO3)C[C@H]2C)nn1	ZINC001093035028	957252423	/nfs/dbraw/zinc/25/24/23/957252423.db2.gz	KIJWEWHSZDJCSO-OAGGEKHMSA-N	1	0	361.490	1.577	20	30		FDEDRO
CCc1nc(C#N)cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC[NH+](C)C)C3)n1	ZINC001093041559	957267048	/nfs/dbraw/zinc/26/70/48/957267048.db2.gz	JYEOFWZJJVKFRB-OAGGEKHMSA-N	1	0	356.474	1.478	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)c1cccnn1	ZINC001093074450	957335209	/nfs/dbraw/zinc/33/52/09/957335209.db2.gz	HIQSBYVCHGLEKB-NVXWUHKLSA-N	1	0	352.413	1.965	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N[C@]12CCC[C@H]1CN(c1nccnc1C#N)C2	ZINC001093108561	957495166	/nfs/dbraw/zinc/49/51/66/957495166.db2.gz	NVTMLRHMRHQDNJ-FTRWYGJKSA-N	1	0	368.485	1.698	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)[C@H](C)C1	ZINC001093089404	957515684	/nfs/dbraw/zinc/51/56/84/957515684.db2.gz	MMMIIBLVMMYSTQ-IXDOHACOSA-N	1	0	361.490	1.579	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1C[C@@H]2CCC[C@]2(CNc2ccc(C#N)nn2)C1	ZINC001093124225	957588095	/nfs/dbraw/zinc/58/80/95/957588095.db2.gz	UWPOBOROIOMKRY-KXBFYZLASA-N	1	0	356.474	1.731	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(CNc2cnc(C#N)cn2)C1	ZINC001093124408	957588169	/nfs/dbraw/zinc/58/81/69/957588169.db2.gz	ADRMRORILYMTKF-KXBFYZLASA-N	1	0	356.474	1.731	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(CNc2nccnc2C#N)C1	ZINC001093124541	957589287	/nfs/dbraw/zinc/58/92/87/957589287.db2.gz	FPISSMWIVCLJCE-KXBFYZLASA-N	1	0	356.474	1.731	20	30		FDEDRO
C[NH+](C)CCOCC(=O)N1C[C@@H]2CCC[C@]2(CNc2ccc(C#N)nc2)C1	ZINC001093124555	957589330	/nfs/dbraw/zinc/58/93/30/957589330.db2.gz	GBUQSXZFTQJYJR-JXFKEZNVSA-N	1	0	371.485	1.572	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3cn(C)nc3C)C[C@H]2C)nc1	ZINC001093137776	957631422	/nfs/dbraw/zinc/63/14/22/957631422.db2.gz	JSGFEXYWOLHTCW-RHSMWYFYSA-N	1	0	351.454	1.603	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1C	ZINC001093138374	957632764	/nfs/dbraw/zinc/63/27/64/957632764.db2.gz	YXJVHGVDGQWAHB-KZNAEPCWSA-N	1	0	371.481	1.960	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@H](C)C(=O)NC3CC3)C[C@H]2C)cn1	ZINC001093139620	957633967	/nfs/dbraw/zinc/63/39/67/957633967.db2.gz	MHKIUFBBUZVNED-IIAWOOMASA-N	1	0	354.454	1.028	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]2C)cn1	ZINC001093143273	957640853	/nfs/dbraw/zinc/64/08/53/957640853.db2.gz	XHGJRIZQABGFQV-SZVBFZGTSA-N	1	0	368.481	1.370	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)c1ccc(=O)n(C)n1	ZINC001093181033	957691797	/nfs/dbraw/zinc/69/17/97/957691797.db2.gz	RHTHVPWYOUFRGY-RHSMWYFYSA-N	1	0	365.437	1.150	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)c1c[nH]c(C(N)=O)c1	ZINC001093198715	957769989	/nfs/dbraw/zinc/76/99/89/957769989.db2.gz	WQILIUAYSQQWAL-CXAGYDPISA-N	1	0	365.437	1.483	20	30		FDEDRO
Cc1nonc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1C	ZINC001093253012	957931669	/nfs/dbraw/zinc/93/16/69/957931669.db2.gz	WYFZRUSESPZCNK-CZUORRHYSA-N	1	0	369.425	1.778	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)C3CCOCC3)C[C@H]2C)C1=O	ZINC001093271603	957938386	/nfs/dbraw/zinc/93/83/86/957938386.db2.gz	PXEJMSWSTLUAKR-NXHRZFHOSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3cncc(C)c3)C[C@H]2C)C1=O	ZINC001093271754	957938649	/nfs/dbraw/zinc/93/86/49/957938649.db2.gz	KXUPKUSVFMEXFH-LMMKCTJWSA-N	1	0	370.497	1.865	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3oncc3C)C[C@H]2C)C1=O	ZINC001093289303	957980345	/nfs/dbraw/zinc/98/03/45/957980345.db2.gz	PNTHXFGYRCWJCU-BZUAXINKSA-N	1	0	360.458	1.458	20	30		FDEDRO
N#Cc1cc(N)c(NC(=O)c2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1C#N	ZINC001197609999	972308540	/nfs/dbraw/zinc/30/85/40/972308540.db2.gz	JLAXUKNAZRJFPA-QGZVFWFLSA-N	1	0	361.405	1.831	20	30		FDEDRO
C#CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC1	ZINC001093379010	958016993	/nfs/dbraw/zinc/01/69/93/958016993.db2.gz	YANSFWCIATVBNJ-CEXWTWQISA-N	1	0	371.525	1.827	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc[nH]c(=O)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093438431	958071618	/nfs/dbraw/zinc/07/16/18/958071618.db2.gz	FBYRDKSHYDMNEY-ZTRFORPCSA-N	1	0	359.470	1.943	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(=O)n(C)o3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093441552	958077181	/nfs/dbraw/zinc/07/71/81/958077181.db2.gz	BKHKXTKADXEHFZ-PHNROFDPSA-N	1	0	363.458	1.134	20	30		FDEDRO
Cc1nocc1C[NH2+][C@@H]1C[C@]2(CN(C(=O)C#CC3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093442931	958082903	/nfs/dbraw/zinc/08/29/03/958082903.db2.gz	MDBAJJIWINCNQM-VURPSTOHSA-N	1	0	371.481	1.863	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn4c(n3)CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093446320	958094101	/nfs/dbraw/zinc/09/41/01/958094101.db2.gz	HAFIJAKQQREEMU-GNUPYSACSA-N	1	0	356.470	1.042	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn4c(n3)CCCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093446624	958095407	/nfs/dbraw/zinc/09/54/07/958095407.db2.gz	JCOFSSMESBSKJH-STQYRHOTSA-N	1	0	370.497	1.432	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccncc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093447450	958099946	/nfs/dbraw/zinc/09/99/46/958099946.db2.gz	VQMNBYVZZVDRAD-VURPSTOHSA-N	1	0	355.482	1.532	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc4n(n3)CCCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093448937	958111979	/nfs/dbraw/zinc/11/19/79/958111979.db2.gz	DJYIWHIPBDRGHD-BNDYYXHWSA-N	1	0	370.497	1.432	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)[nH]nc3Cl)[C@H]2C(C)C)C[C@H]1O	ZINC001093449532	958117941	/nfs/dbraw/zinc/11/79/41/958117941.db2.gz	PNPXAYOTIKABIZ-ACXGAUJLSA-N	1	0	364.877	1.584	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(F)CCOCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093450122	958120371	/nfs/dbraw/zinc/12/03/71/958120371.db2.gz	TXXMQFYIRZAFDC-KONPQCLYSA-N	1	0	354.466	1.657	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cnccc3OC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093451703	958133904	/nfs/dbraw/zinc/13/39/04/958133904.db2.gz	XAUWEKFNAQOMBT-DGQTTZFYSA-N	1	0	371.481	1.232	20	30		FDEDRO
COCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)[C@H]1C(C)C	ZINC001093417492	958141273	/nfs/dbraw/zinc/14/12/73/958141273.db2.gz	WWNNDYBEXPZASY-UKAVVXHISA-N	1	0	371.481	1.671	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3cncnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093460048	958186214	/nfs/dbraw/zinc/18/62/14/958186214.db2.gz	XSFRLHNTKVMAQN-JYBIWHBTSA-N	1	0	358.486	1.561	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C3)[C@H]2C(C)C)CC1	ZINC001093461240	958192107	/nfs/dbraw/zinc/19/21/07/958192107.db2.gz	GTQIZKZXZAJOKE-QQTQMKHKSA-N	1	0	363.502	1.184	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3n[nH]cc3F)[C@@H]2C(C)C)C[C@H]1O	ZINC001093464115	958198416	/nfs/dbraw/zinc/19/84/16/958198416.db2.gz	CHUACAGKWGDBKZ-GKLJAUDBSA-N	1	0	370.856	1.881	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nccn4ccnc34)[C@@H]2C(C)C)C[C@H]1O	ZINC001093464567	958200411	/nfs/dbraw/zinc/20/04/11/958200411.db2.gz	CJHCZBLGLZENJY-MXHNKVEKSA-N	1	0	369.469	1.495	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C)[nH]c3=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001093464582	958200951	/nfs/dbraw/zinc/20/09/51/958200951.db2.gz	CNOBNLXRLLDODH-WOCWXWTJSA-N	1	0	357.454	1.309	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cccnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093465499	958204078	/nfs/dbraw/zinc/20/40/78/958204078.db2.gz	KAXAWWISTLTCLD-VURPSTOHSA-N	1	0	355.482	1.532	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3nccc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093465707	958205182	/nfs/dbraw/zinc/20/51/82/958205182.db2.gz	JEMCUPMGTHEXMV-JYBIWHBTSA-N	1	0	360.502	1.734	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CCC)C3)[C@@H]2C(C)C)nn1	ZINC001093466586	958210131	/nfs/dbraw/zinc/21/01/31/958210131.db2.gz	OABPWMQWKBRUMY-NWGLXNPWSA-N	1	0	361.490	1.454	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc(C)nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093467997	958217176	/nfs/dbraw/zinc/21/71/76/958217176.db2.gz	WYDCIJSDGOWDGG-FTEYMNFISA-N	1	0	358.486	1.859	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(CC)nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093468409	958219442	/nfs/dbraw/zinc/21/94/42/958219442.db2.gz	ZIJMWAUHRMKXAR-XSYGEPLQSA-N	1	0	360.502	1.977	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C(C)C)nn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093469542	958222461	/nfs/dbraw/zinc/22/24/61/958222461.db2.gz	HHCDZRTWDVBBOT-NWGLXNPWSA-N	1	0	359.474	1.072	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(C(F)F)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093469924	958224798	/nfs/dbraw/zinc/22/47/98/958224798.db2.gz	NKQRLJNLPSCYKS-ZXFNITATSA-N	1	0	366.412	1.491	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncccc3OC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093471507	958234393	/nfs/dbraw/zinc/23/43/93/958234393.db2.gz	FISMSMQUYRKMRQ-CWLMSFPYSA-N	1	0	357.454	1.303	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3cnccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093472399	958239516	/nfs/dbraw/zinc/23/95/16/958239516.db2.gz	LDDFQQKEBYZCES-IZBJGVDFSA-N	1	0	358.486	1.561	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc(OC)nc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093472683	958240393	/nfs/dbraw/zinc/24/03/93/958240393.db2.gz	MKJJSBZXMAIECG-YKTARERQSA-N	1	0	360.458	1.251	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)c2c[nH+]ccc2N(C)C)C[C@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001093472695	958240651	/nfs/dbraw/zinc/24/06/51/958240651.db2.gz	KPJJMQNVJDBIRV-LBKNJMOBSA-N	1	0	371.485	1.251	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(C(C)C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093473190	958243223	/nfs/dbraw/zinc/24/32/23/958243223.db2.gz	NFFRRZCCSKNRMB-FTEYMNFISA-N	1	0	358.486	1.677	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(Cl)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093474624	958249085	/nfs/dbraw/zinc/24/90/85/958249085.db2.gz	SYCJAAVUAILVML-MTNOOBJLSA-N	1	0	361.873	1.948	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3coc(CCC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093475684	958252924	/nfs/dbraw/zinc/25/29/24/958252924.db2.gz	ZXWVIRFSBLLYEM-GNUPYSACSA-N	1	0	359.470	1.840	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(CCF)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452506	958257192	/nfs/dbraw/zinc/25/71/92/958257192.db2.gz	KAVYCGVJBWTKHT-MTNOOBJLSA-N	1	0	364.465	1.618	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn4cccnc4n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452611	958258313	/nfs/dbraw/zinc/25/83/13/958258313.db2.gz	LKYWECDOUUBFHW-OYRIPWCXSA-N	1	0	369.469	1.495	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C4CC4)on3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093454238	958266742	/nfs/dbraw/zinc/26/67/42/958266742.db2.gz	AOOLMWLBGMNGPZ-CIWUYKSXSA-N	1	0	357.454	1.765	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3nccn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093455124	958271962	/nfs/dbraw/zinc/27/19/62/958271962.db2.gz	KOUZTTXWKMQPSO-XNFNUYLZSA-N	1	0	360.502	1.505	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH]c(=O)n3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093455348	958273373	/nfs/dbraw/zinc/27/33/73/958273373.db2.gz	MFBVOMPNKVVRTH-NVQRDWNXSA-N	1	0	362.474	1.282	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccc(F)cc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093477756	958290865	/nfs/dbraw/zinc/29/08/65/958290865.db2.gz	MCNSDKKSGRMGRL-QCFAMHMHSA-N	1	0	358.457	1.968	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3csc(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093478595	958294598	/nfs/dbraw/zinc/29/45/98/958294598.db2.gz	RJPSCTONYJMCSG-ZAWLATJESA-N	1	0	361.511	1.593	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nn(CC)nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093479064	958297835	/nfs/dbraw/zinc/29/78/35/958297835.db2.gz	GREDEEBYBDNBRC-LFEHRJTNSA-N	1	0	361.490	1.372	20	30		FDEDRO
C=CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1	ZINC001093489889	958311342	/nfs/dbraw/zinc/31/13/42/958311342.db2.gz	KVLPOHJLYJXTTP-IVDHNXQLSA-N	1	0	359.514	1.880	20	30		FDEDRO
CC#CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@H]2OCC[C@H]2C)CC1	ZINC001093490325	958312209	/nfs/dbraw/zinc/31/22/09/958312209.db2.gz	TUAWGFVAYBRTSB-LMCOJAPRSA-N	1	0	359.514	1.574	20	30		FDEDRO
C#C[C@H](NC(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1)[C@@H]1CCCO1	ZINC000773198530	958337009	/nfs/dbraw/zinc/33/70/09/958337009.db2.gz	GMXRVYQVDYGJOZ-ROUUACIJSA-N	1	0	371.485	1.204	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@H]1C	ZINC001093625885	958380105	/nfs/dbraw/zinc/38/01/05/958380105.db2.gz	BFLMNYQYSIQKBJ-LSBZLQRGSA-N	1	0	357.454	1.930	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001093687281	958503083	/nfs/dbraw/zinc/50/30/83/958503083.db2.gz	YAINYKBYKKWVNG-CZUORRHYSA-N	1	0	355.417	1.847	20	30		FDEDRO
Cc1ccoc1-c1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)o1	ZINC001093673810	958518444	/nfs/dbraw/zinc/51/84/44/958518444.db2.gz	YSAUFAXITNLYHE-BFHYXJOUSA-N	1	0	357.414	1.982	20	30		FDEDRO
CC(C)N1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)C1=O	ZINC001093699556	958565535	/nfs/dbraw/zinc/56/55/35/958565535.db2.gz	DWXXIVOSPNLKEC-BMFZPTHFSA-N	1	0	357.458	1.193	20	30		FDEDRO
COc1cccc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)n1	ZINC001093699838	958566973	/nfs/dbraw/zinc/56/69/73/958566973.db2.gz	LAEGFHMQJGGFNX-UKRRQHHQSA-N	1	0	353.426	1.788	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1cc2n(n1)CCCC2	ZINC001093722584	958599483	/nfs/dbraw/zinc/59/94/83/958599483.db2.gz	QEOKVVQWRIFJBQ-HUUCEWRRSA-N	1	0	366.469	1.917	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1	ZINC001197689592	972360934	/nfs/dbraw/zinc/36/09/34/972360934.db2.gz	LEIBEMDXOBXURM-JFIYKMOQSA-N	1	0	351.878	1.377	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001093728703	958621169	/nfs/dbraw/zinc/62/11/69/958621169.db2.gz	NLGKWNYNPOPXHB-IUODEOHRSA-N	1	0	370.432	1.511	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3ccc(F)cn3)C[C@H]2C)C1=O	ZINC001093731111	958628697	/nfs/dbraw/zinc/62/86/97/958628697.db2.gz	GZDGEVJBRDTHAQ-CPUCHLNUSA-N	1	0	360.433	1.305	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3cnnn3C)C[C@H]2C)cc1C#N	ZINC001093748122	958667277	/nfs/dbraw/zinc/66/72/77/958667277.db2.gz	SFCKMFATGVMGCC-CZUORRHYSA-N	1	0	368.441	1.193	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093777391	958868704	/nfs/dbraw/zinc/86/87/04/958868704.db2.gz	ZEGOFBIMSXIOND-OHDICMOHSA-N	1	0	368.481	1.657	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001093849573	958973614	/nfs/dbraw/zinc/97/36/14/958973614.db2.gz	LHGGJOMEUKHDKR-IUODEOHRSA-N	1	0	369.400	1.691	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1)S(C)(=O)=O	ZINC001093867578	959047350	/nfs/dbraw/zinc/04/73/50/959047350.db2.gz	UBFDVXQHJDNPCO-JKIFEVAISA-N	1	0	363.483	1.175	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ncnn3C)[C@H](C)C2)cc1	ZINC001093869846	959053556	/nfs/dbraw/zinc/05/35/56/959053556.db2.gz	DLWDPGLAQBTGHW-NVXWUHKLSA-N	1	0	369.469	1.878	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCC(C(=O)N(C)C)CC2)C1	ZINC001197732456	972400544	/nfs/dbraw/zinc/40/05/44/972400544.db2.gz	OFPGOUKJRGLPBB-BHUNQDJPSA-N	1	0	351.491	1.009	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093967422	959380717	/nfs/dbraw/zinc/38/07/17/959380717.db2.gz	YAZRMINFIZEQBB-VXGBXAGGSA-N	1	0	359.455	1.557	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3cc(C)c(C)cn3)C[C@H]2C)C1=O	ZINC001093934043	959390915	/nfs/dbraw/zinc/39/09/15/959390915.db2.gz	XNCFHWGQYRSNBU-KURKYZTESA-N	1	0	370.497	1.783	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3csc(C)n3)C[C@H]2C)C1=O	ZINC001093990645	959439803	/nfs/dbraw/zinc/43/98/03/959439803.db2.gz	CPQTUVVTWBVSSU-YUELXQCFSA-N	1	0	362.499	1.536	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001094021620	959540348	/nfs/dbraw/zinc/54/03/48/959540348.db2.gz	BWHXAPFGYRSSOY-ZTQAJYAQSA-N	1	0	354.454	1.411	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]Cc3nnnn3C(C)(C)C)[C@H](C)C2)C1	ZINC001094025238	959545708	/nfs/dbraw/zinc/54/57/08/959545708.db2.gz	VJKZSQQRCKYGAO-HUUCEWRRSA-N	1	0	360.506	1.969	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]C[C@H]3CCNC(=O)CC3)[C@H](C)C2)c1	ZINC001094027724	959548398	/nfs/dbraw/zinc/54/83/98/959548398.db2.gz	CMUDFWALCNZSSW-SZVBFZGTSA-N	1	0	368.481	1.277	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]C[C@@H]3CCc4ncnn43)[C@H](C)C2)c1	ZINC001094028046	959550456	/nfs/dbraw/zinc/55/04/56/959550456.db2.gz	PHKRYRHHUIXWHT-OLMNPRSZSA-N	1	0	364.453	1.140	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(NC(=O)NC)c2)C1	ZINC001197782460	972439979	/nfs/dbraw/zinc/43/99/79/972439979.db2.gz	JCSZBHIASYDRCX-IAOVAPTHSA-N	1	0	360.458	1.568	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccnc(N(C)C)c2)[C@H](C)C1	ZINC001094055477	959647777	/nfs/dbraw/zinc/64/77/77/959647777.db2.gz	VEAHUGQIHLWAOC-OWYHZJEWSA-N	1	0	372.513	1.923	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CCF)[C@H](C)C1	ZINC001094055532	959647886	/nfs/dbraw/zinc/64/78/86/959647886.db2.gz	WTWMETWJUPWYDJ-FPCVCCKLSA-N	1	0	365.453	1.023	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nn(CC)nc2C)[C@H](C)C1	ZINC001094057005	959651615	/nfs/dbraw/zinc/65/16/15/959651615.db2.gz	BNYKPFWLLUGEFZ-IIVZCXTMSA-N	1	0	361.490	1.382	20	30		FDEDRO
Cc1ccnn1CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1	ZINC001094078806	959716460	/nfs/dbraw/zinc/71/64/60/959716460.db2.gz	YPOQNVDUMZIZCP-DNVCBOLYSA-N	1	0	351.454	1.948	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C	ZINC001094108808	959787649	/nfs/dbraw/zinc/78/76/49/959787649.db2.gz	PKAMCVAQGVLKCW-CZUORRHYSA-N	1	0	368.441	1.193	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccncn2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001094119442	959816880	/nfs/dbraw/zinc/81/68/80/959816880.db2.gz	WXMNANBLQRZQAW-CZUORRHYSA-N	1	0	353.401	1.985	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2C)cc1C#N	ZINC001094119068	959817155	/nfs/dbraw/zinc/81/71/55/959817155.db2.gz	HPXGLBJYXZVCHD-IUODEOHRSA-N	1	0	354.414	1.183	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001094125907	959833545	/nfs/dbraw/zinc/83/35/45/959833545.db2.gz	NSDVUCSVEHTQQF-CZUORRHYSA-N	1	0	353.401	1.985	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3nc(C)oc3C)C[C@H]2C)C1=O	ZINC001094129269	959842870	/nfs/dbraw/zinc/84/28/70/959842870.db2.gz	CBEDVSOVQWTFLW-DAXOMENPSA-N	1	0	360.458	1.376	20	30		FDEDRO
CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3cccc(C#N)c3)[C@H](C)C2)nn1	ZINC001094138775	959875981	/nfs/dbraw/zinc/87/59/81/959875981.db2.gz	PTYCSWYIPGFPAF-RHSMWYFYSA-N	1	0	352.442	1.668	20	30		FDEDRO
C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH2+]Cc3cccc(C#N)c3)[C@H](C)C2)C1	ZINC001094156329	959926088	/nfs/dbraw/zinc/92/60/88/959926088.db2.gz	MRRHBMZSZQAKOU-FRQCXROJSA-N	1	0	368.481	1.611	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nnc(C)s3)[C@H](C)C2)cn1	ZINC001094174254	959976349	/nfs/dbraw/zinc/97/63/49/959976349.db2.gz	BLIGXYDRWMTMRL-IUODEOHRSA-N	1	0	355.467	1.721	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](C)c3nc(C)no3)[C@H](C)C2)cn1	ZINC001094176826	959983165	/nfs/dbraw/zinc/98/31/65/959983165.db2.gz	YQDFQMNPAMXOGG-XJKCOSOUSA-N	1	0	353.426	1.813	20	30		FDEDRO
Cc1nonc1CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)[C@H](C)C1	ZINC001094142221	959998429	/nfs/dbraw/zinc/99/84/29/959998429.db2.gz	SAGAFNXDYWDMIB-MLGOLLRUSA-N	1	0	371.416	1.816	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3[nH]cnc3CC)C[C@H]2C)C1=O	ZINC001094195163	960089118	/nfs/dbraw/zinc/08/91/18/960089118.db2.gz	AIJYFXQRDTYNGW-FMKPAKJESA-N	1	0	359.474	1.057	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@]3(CNC(=O)c4ccc[nH]4)CCC[C@@H]23)C1=O	ZINC001094361077	960314706	/nfs/dbraw/zinc/31/47/06/960314706.db2.gz	MPJCWUAALISNOE-SQGPQFPESA-N	1	0	356.470	1.776	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](CC)OC	ZINC001110156113	960317839	/nfs/dbraw/zinc/31/78/39/960317839.db2.gz	UMZHTSCAODMDNW-WCVJEAGWSA-N	1	0	366.506	1.397	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@H]4COCCO4)CCC[C@@H]23)c1	ZINC001094365709	960323526	/nfs/dbraw/zinc/32/35/26/960323526.db2.gz	OQBKAMXXOJWKOC-SFHLNBCPSA-N	1	0	369.465	1.834	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN(C(N)=O)C3)CCC[C@@H]12	ZINC001094464555	960464588	/nfs/dbraw/zinc/46/45/88/960464588.db2.gz	LTHBLKJFITWAOB-IIDMSEBBSA-N	1	0	368.909	1.890	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C3CC4(C3)CS(=O)(=O)C4)CCC[C@@H]12	ZINC001094449023	960519656	/nfs/dbraw/zinc/51/96/56/960519656.db2.gz	GVCKCSRWNWTBIU-VQIMIIECSA-N	1	0	364.511	1.195	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3coc4c3C(=O)NCCC4)CCC[C@@H]12	ZINC001094473475	960639561	/nfs/dbraw/zinc/63/95/61/960639561.db2.gz	OGQDUJYUVDDPSF-OXQOHEQNSA-N	1	0	355.438	1.563	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(-n4cnnn4)cn3)CCC[C@@H]12	ZINC001094478021	960652384	/nfs/dbraw/zinc/65/23/84/960652384.db2.gz	OKADTJNPURLEBN-IEBWSBKVSA-N	1	0	367.457	1.608	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2cnn(C)c2)CC3)nn1	ZINC001094531341	960739203	/nfs/dbraw/zinc/73/92/03/960739203.db2.gz	KKWIJEGGZOAMCR-IEBWSBKVSA-N	1	0	369.473	1.372	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnnn1C)CC2	ZINC001094533801	960747030	/nfs/dbraw/zinc/74/70/30/960747030.db2.gz	NAQITDBTRQQYDY-HLNWXESRSA-N	1	0	373.501	1.657	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(=O)n(CC)n3)CCC[C@@H]12	ZINC001094538323	960766383	/nfs/dbraw/zinc/76/63/83/960766383.db2.gz	YLGHDOMACHMBJH-CRAIPNDOSA-N	1	0	364.877	1.990	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C(=O)NC)nc3)CCC[C@@H]12	ZINC001094564206	960824963	/nfs/dbraw/zinc/82/49/63/960824963.db2.gz	ZCIKFQGNZLAUNZ-YLJYHZDGSA-N	1	0	354.454	1.439	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)OC)C2)CC1	ZINC000773315078	961073477	/nfs/dbraw/zinc/07/34/77/961073477.db2.gz	OEBUZUUFTRCJMK-LSDHHAIUSA-N	1	0	352.479	1.803	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCC(=C)C)C2)C1	ZINC001094737505	961129290	/nfs/dbraw/zinc/12/92/90/961129290.db2.gz	VABVEBKQPHPBIY-NXHRZFHOSA-N	1	0	361.486	1.335	20	30		FDEDRO
COC(=O)C1(Nc2cncnc2C#N)CC[NH+](Cc2ccccc2)CC1	ZINC001171506720	961211819	/nfs/dbraw/zinc/21/18/19/961211819.db2.gz	KCDUQFQFJUXFLY-UHFFFAOYSA-N	1	0	351.410	1.968	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCN4C(=O)CC[C@@H]4C3)CC2)cc1	ZINC001172164043	961522032	/nfs/dbraw/zinc/52/20/32/961522032.db2.gz	XPTILNCXLKGMND-RTBURBONSA-N	1	0	366.465	1.906	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)cc1	ZINC000773999261	961556666	/nfs/dbraw/zinc/55/66/66/961556666.db2.gz	XFCQZHIAWJEDQV-UHFFFAOYSA-N	1	0	355.438	1.628	20	30		FDEDRO
C=CCOC[C@@H]1c2nnn(C)c2CCN1C1CC[NH+](CCCOC)CC1	ZINC001172251870	961601750	/nfs/dbraw/zinc/60/17/50/961601750.db2.gz	XNYBPAYYVXSOIY-GOSISDBHSA-N	1	0	363.506	1.418	20	30		FDEDRO
COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2[C@H](C)Cc2ccc(C#N)cc2)O1	ZINC001172304075	961616160	/nfs/dbraw/zinc/61/61/60/961616160.db2.gz	KNZATEJODHCUOB-AXUOBQJMSA-N	1	0	357.454	1.484	20	30		FDEDRO
C[C@@H](CCCC#N)[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)c3ccnnc3)[C@H]2C1	ZINC001172497954	961687774	/nfs/dbraw/zinc/68/77/74/961687774.db2.gz	HNWKMCCTYAJOQU-LEUOFYLZSA-N	1	0	357.458	1.626	20	30		FDEDRO
CCCCCCC[C@@H](CCC)[NH2+]CCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC001172509526	961689701	/nfs/dbraw/zinc/68/97/01/961689701.db2.gz	YPXBFHUGFPTQOA-QZIZDEJHSA-N	1	0	361.523	1.949	20	30		FDEDRO
C=CCN1CCN(C)C2(CC[NH+](C3CCN(C(=O)OC)CC3)CC2)C1=O	ZINC001172737551	961760976	/nfs/dbraw/zinc/76/09/76/961760976.db2.gz	HJHCNSQNAHATBP-UHFFFAOYSA-N	1	0	364.490	1.012	20	30		FDEDRO
C#CCN(C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCS(=O)(=O)C1	ZINC000774171308	961800839	/nfs/dbraw/zinc/80/08/39/961800839.db2.gz	NUMPJPKDJKCJCL-BBWFWOEESA-N	1	0	369.531	1.186	20	30		FDEDRO
C#CCN(C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1	ZINC000774172409	961803595	/nfs/dbraw/zinc/80/35/95/961803595.db2.gz	XLOOTNGLFJKKIR-JYJNAYRXSA-N	1	0	355.504	1.081	20	30		FDEDRO
C#CCN(C(=O)NC[C@@H]1CCCC[N@H+]1CCCC)[C@H]1CCS(=O)(=O)C1	ZINC000774210977	961838673	/nfs/dbraw/zinc/83/86/73/961838673.db2.gz	MWJVCQWGRBPTDO-IRXDYDNUSA-N	1	0	369.531	1.473	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC2(C(N)=O)CCOCC2)C[C@H]1C#N	ZINC001172965875	961852156	/nfs/dbraw/zinc/85/21/56/961852156.db2.gz	JVWDSGNRXJKTGE-KBPBESRZSA-N	1	0	366.462	1.150	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCCCC2)C[C@H]1C#N	ZINC001172970891	961856310	/nfs/dbraw/zinc/85/63/10/961856310.db2.gz	JNAFDCSBUCEJMU-CABCVRRESA-N	1	0	350.463	1.880	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCN2CCC[C@H](O)C2)C[C@H]1C#N	ZINC001172982690	961866635	/nfs/dbraw/zinc/86/66/35/961866635.db2.gz	FRDGOZRISQHHLA-JYJNAYRXSA-N	1	0	352.479	1.324	20	30		FDEDRO
CC[C@H](C)[C@H]([NH2+]C1CCN(C(=O)c2ccc(OC)cc2)CC1)C(=O)NO	ZINC001173402826	962081782	/nfs/dbraw/zinc/08/17/82/962081782.db2.gz	BJAFYOTUZOZXMP-GUYCJALGSA-N	1	0	363.458	1.810	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+]CC(=O)NCC(F)(F)F)CC2)cc1	ZINC001173429108	962144041	/nfs/dbraw/zinc/14/40/41/962144041.db2.gz	MNFOKHVOMKUHMT-UHFFFAOYSA-N	1	0	368.359	1.431	20	30		FDEDRO
C#CC(C)(C)C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC001182635037	962350556	/nfs/dbraw/zinc/35/05/56/962350556.db2.gz	AUPPBZNLRFRJCV-SQNIBIBYSA-N	1	0	355.486	1.639	20	30		FDEDRO
CN(C)C(=O)COC[C@@H]1Cn2nccc2C[N@@H+](C2CCC(C)(C#N)CC2)C1	ZINC001173594595	962470131	/nfs/dbraw/zinc/47/01/31/962470131.db2.gz	BVSJMBDCSGMYGT-VXESANQCSA-N	1	0	373.501	1.892	20	30		FDEDRO
C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1[C@@H]1CCC[C@@H](n2ncnn2)C1	ZINC001173763394	962652515	/nfs/dbraw/zinc/65/25/15/962652515.db2.gz	RCVRJIROZCUPGC-BFYDXBDKSA-N	1	0	357.462	1.692	20	30		FDEDRO
N#Cc1ccc(N2CC[NH+]([C@@H]3CCC[C@@H](n4ncnn4)C3)CC2)c(F)c1	ZINC001173770507	962667025	/nfs/dbraw/zinc/66/70/25/962667025.db2.gz	QAAMIHOIGNNMKC-HZPDHXFCSA-N	1	0	355.421	1.990	20	30		FDEDRO
C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@@H]1CCC[C@@H](n3ncnn3)C1)C2	ZINC001173729440	962671164	/nfs/dbraw/zinc/67/11/64/962671164.db2.gz	FYXRSAZFCXSIKE-BRWVUGGUSA-N	1	0	354.458	1.652	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1Cc2nccn2C[C@@H](Cn2cccn2)C1	ZINC001183042763	962754545	/nfs/dbraw/zinc/75/45/45/962754545.db2.gz	CVQFJPPYNBYFKV-QGZVFWFLSA-N	1	0	354.458	1.390	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)NCCO[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC001183086632	962784655	/nfs/dbraw/zinc/78/46/55/962784655.db2.gz	ZBHLXCBNVGJQCB-MRXNPFEDSA-N	1	0	367.490	1.781	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCO)cc1	ZINC001110172688	962929414	/nfs/dbraw/zinc/92/94/14/962929414.db2.gz	HKGFNKFBTUFECL-HOJAQTOUSA-N	1	0	374.481	1.524	20	30		FDEDRO
N#CCOc1ccc(CC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)cc1	ZINC000773407420	962957592	/nfs/dbraw/zinc/95/75/92/962957592.db2.gz	GOSRHFXVJYJFQW-SFHVURJKSA-N	1	0	357.454	1.845	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1	ZINC001183354001	962979733	/nfs/dbraw/zinc/97/97/33/962979733.db2.gz	LFIXSUQGYACTBW-AQNXPRMDSA-N	1	0	356.466	1.995	20	30		FDEDRO
C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cc1ccccc1	ZINC001110181039	963065149	/nfs/dbraw/zinc/06/51/49/963065149.db2.gz	ONGKOFLSYSXXBR-ZRNYENFQSA-N	1	0	358.482	1.904	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1ncnn1CCF	ZINC001175364948	963169915	/nfs/dbraw/zinc/16/99/15/963169915.db2.gz	FCIIIMVXJNWQCZ-XHSDSOJGSA-N	1	0	367.469	1.603	20	30		FDEDRO
C=CCOc1ccc(/C=C/C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cc1OC	ZINC000773527772	963300858	/nfs/dbraw/zinc/30/08/58/963300858.db2.gz	FVZJZQGVMBOAAZ-IWHGQQBYSA-N	1	0	371.481	1.779	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)[C@@H]1CCCO1	ZINC000773554930	963382440	/nfs/dbraw/zinc/38/24/40/963382440.db2.gz	GBWVGEVFQRNIHD-VEHMJYNQSA-N	1	0	360.502	1.120	20	30		FDEDRO
C#C[C@@H](NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)[C@H]1CCCO1	ZINC000773563347	963409018	/nfs/dbraw/zinc/40/90/18/963409018.db2.gz	VYYLEZKYVXVEIO-QZTJIDSGSA-N	1	0	363.502	1.749	20	30		FDEDRO
C#CC[C@]1(C(=O)n2cc(C[NH3+])cnc2=N)CCCN1C(=O)OC(C)(C)C	ZINC001184104871	963431875	/nfs/dbraw/zinc/43/18/75/963431875.db2.gz	QKGMIFRGMHBFKR-GOSISDBHSA-N	1	0	359.430	1.254	20	30		FDEDRO
N#CCCn1cc(C[NH2+]CCS(=O)(=O)NC2CC2)c(-c2ccncc2)n1	ZINC001184278802	963534850	/nfs/dbraw/zinc/53/48/50/963534850.db2.gz	UNIQBOZAHOJCMW-UHFFFAOYSA-N	1	0	374.470	1.030	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)[C@@H]2CN(c3cccc(C#N)c3)C(=O)O2)CC1	ZINC001184375545	963561058	/nfs/dbraw/zinc/56/10/58/963561058.db2.gz	JCRFDHHHCQUETG-KRWDZBQOSA-N	1	0	356.426	1.874	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1-n1ccnn1)C2	ZINC001110202743	963749520	/nfs/dbraw/zinc/74/95/20/963749520.db2.gz	RDGBLZXLGJVFTD-AYBZRNKSSA-N	1	0	367.453	1.805	20	30		FDEDRO
N#Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1	ZINC001185299949	963905536	/nfs/dbraw/zinc/90/55/36/963905536.db2.gz	GQVIQAYFQPBCLP-NSHDSACASA-N	1	0	350.400	1.229	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNc2cnc(C#N)c(C#N)n2)CC1	ZINC001185611298	964005057	/nfs/dbraw/zinc/00/50/57/964005057.db2.gz	DYXHKHMLWAHSRK-UHFFFAOYSA-N	1	0	355.446	1.259	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)Cc2ccco2)C1	ZINC001185749622	964104134	/nfs/dbraw/zinc/10/41/34/964104134.db2.gz	LIZMCNWPVRZOIB-OIISXLGYSA-N	1	0	361.442	1.020	20	30		FDEDRO
C=C(C)CC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@H]3OCC[C@H]3C)C2)nn1	ZINC001186008564	964252487	/nfs/dbraw/zinc/25/24/87/964252487.db2.gz	XJAXLLUWVLLOIE-NJAFHUGGSA-N	1	0	361.490	1.922	20	30		FDEDRO
COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCC(Cc3ccc(C#N)cc3)CC2)C1	ZINC001186105288	964299611	/nfs/dbraw/zinc/29/96/11/964299611.db2.gz	BXTAJCJQZBPCNC-IBGZPJMESA-N	1	0	369.465	1.834	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)C[C@H]2CCNC2=O)C1	ZINC001186188511	964337604	/nfs/dbraw/zinc/33/76/04/964337604.db2.gz	DDPNGTYLOYRUBH-ZHALLVOQSA-N	1	0	371.456	1.507	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cn2ncnn2)C1	ZINC001186189028	964339138	/nfs/dbraw/zinc/33/91/38/964339138.db2.gz	JNLPUDVLFBSYNI-SJLPKXTDSA-N	1	0	370.432	1.057	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cc2c[nH]cn2)C1	ZINC001186196042	964343501	/nfs/dbraw/zinc/34/35/01/964343501.db2.gz	DUBACRIACUWRNR-VQIMIIECSA-N	1	0	354.429	1.946	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H](O)CN(C(=O)OC(C)(C)C)C1	ZINC001178665108	964350293	/nfs/dbraw/zinc/35/02/93/964350293.db2.gz	BWRKWXAWJPAMFE-HRCADAONSA-N	1	0	367.490	1.371	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CN2CCCC2=O)C1	ZINC001186166103	964351927	/nfs/dbraw/zinc/35/19/27/964351927.db2.gz	OHKTXNRVPOTFRA-IEBWSBKVSA-N	1	0	371.456	1.603	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(CC)CC)C1	ZINC001186214057	964379205	/nfs/dbraw/zinc/37/92/05/964379205.db2.gz	PNEARWDKXVXDFG-AOIWGVFYSA-N	1	0	365.518	1.853	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)NC1CCN(C(=O)c2ccccc2C#N)CC1	ZINC001178701891	964382982	/nfs/dbraw/zinc/38/29/82/964382982.db2.gz	QESZWCVFVWPBPP-SFHVURJKSA-N	1	0	354.454	1.763	20	30		FDEDRO
C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC12CCOCC2	ZINC001186374404	964482289	/nfs/dbraw/zinc/48/22/89/964482289.db2.gz	VZVCPLJDIRJFBA-IXDOHACOSA-N	1	0	363.502	1.322	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCOCC)C2(C1)CCOCC2	ZINC001186494938	964523066	/nfs/dbraw/zinc/52/30/66/964523066.db2.gz	TYGHQNGPSNRODG-KURKYZTESA-N	1	0	366.502	1.459	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](C[NH2+]CCOCC)C2(C1)CCOCC2	ZINC001186494937	964523187	/nfs/dbraw/zinc/52/31/87/964523187.db2.gz	TYGHQNGPSNRODG-KSZLIROESA-N	1	0	366.502	1.459	20	30		FDEDRO
C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)[C@H]1C	ZINC001178989961	964601309	/nfs/dbraw/zinc/60/13/09/964601309.db2.gz	BRNRAWJFSNJYIB-FQUUOJAGSA-N	1	0	350.381	1.878	20	30		FDEDRO
C=C(C)CNC(=O)[C@H]1C[N@@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1	ZINC001179156540	964752154	/nfs/dbraw/zinc/75/21/54/964752154.db2.gz	KWCWFOMNEUOIKY-OAHLLOKOSA-N	1	0	367.490	1.779	20	30		FDEDRO
CC[C@H]([NH2+]CC(=O)NCCC#N)c1ccccc1OCC(=O)N1CCCC1	ZINC000775057352	964815900	/nfs/dbraw/zinc/81/59/00/964815900.db2.gz	YMBANGASQIYQPE-KRWDZBQOSA-N	1	0	372.469	1.758	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1ccco1	ZINC001179658275	964936790	/nfs/dbraw/zinc/93/67/90/964936790.db2.gz	PXACNWVDEIXOQN-GVDBMIGSSA-N	1	0	359.470	1.787	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCC12OCCO2	ZINC000773823920	964974358	/nfs/dbraw/zinc/97/43/58/964974358.db2.gz	LATXBJYHSYXFCK-SFHVURJKSA-N	1	0	357.454	1.992	20	30		FDEDRO
CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC001179787859	964987189	/nfs/dbraw/zinc/98/71/89/964987189.db2.gz	BSENSCLPYJSZBO-AZUAARDMSA-N	1	0	370.497	1.891	20	30		FDEDRO
COc1ccc(NC(=O)[C@@H](C)C#N)cc1OCCCN1CC[NH+](C)CC1	ZINC001179894016	965019464	/nfs/dbraw/zinc/01/94/64/965019464.db2.gz	HSIRJUASZCQWLV-HNNXBMFYSA-N	1	0	360.458	1.810	20	30		FDEDRO
C=CCCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCCN(c4ccn(C)n4)C3=O)C[C@H]21	ZINC001187239716	965114913	/nfs/dbraw/zinc/11/49/13/965114913.db2.gz	HNQMKULLQSLXMS-YESZJQIVSA-N	1	0	371.485	1.414	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@H]2C[N@@H+](CCO[C@@H]3CC3(F)F)C[C@H]21	ZINC001187472181	965383253	/nfs/dbraw/zinc/38/32/53/965383253.db2.gz	BOBFKQMBAGQAQY-ARFHVFGLSA-N	1	0	358.429	1.926	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21	ZINC001187472433	965383672	/nfs/dbraw/zinc/38/36/72/965383672.db2.gz	IRWFOFLBLOVLOB-RCCFBDPRSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=CCSCC(=O)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1	ZINC001180558964	965398868	/nfs/dbraw/zinc/39/88/68/965398868.db2.gz	BHDVUGKQHJIWDR-CXAGYDPISA-N	1	0	351.447	1.994	20	30		FDEDRO
C=CCSCC(=O)N(c1ccc(C)nn1)[C@H]1CO[C@]2(C1)CCC[NH2+]C2	ZINC001180559582	965400692	/nfs/dbraw/zinc/40/06/92/965400692.db2.gz	UUENVJMFEAIZEO-QAPCUYQASA-N	1	0	362.499	1.948	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@H]2C[N@@H+](CCn3nc(C)nc3C)C[C@H]21	ZINC001187479566	965410511	/nfs/dbraw/zinc/41/05/11/965410511.db2.gz	GAVWDFUGVDUSIX-ZWKOTPCHSA-N	1	0	361.490	1.410	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCCc4ccccc43)C[C@H]21	ZINC001187597761	965516296	/nfs/dbraw/zinc/51/62/96/965516296.db2.gz	CMRCZYPPXMCDFP-YSIASYRMSA-N	1	0	365.477	1.736	20	30		FDEDRO
CCNC(=O)CC(=O)N1CC[C@H]2C[N@H+](Cc3cc(C#N)ccc3OC)C[C@H]21	ZINC001187598652	965522274	/nfs/dbraw/zinc/52/22/74/965522274.db2.gz	XLIIMIPCPNZYHM-DOTOQJQBSA-N	1	0	370.453	1.126	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CC[C@H]2C[N@H+](Cc3cc(CO)ccc3F)C[C@H]21	ZINC001187763704	965731022	/nfs/dbraw/zinc/73/10/22/965731022.db2.gz	SJXWWZILCGNJAU-QKYXUNIQSA-N	1	0	362.445	1.678	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](CC(=O)N(C)C)CC2	ZINC000957608476	1013595728	/nfs/dbraw/zinc/59/57/28/1013595728.db2.gz	MVJBFPSHQIYPKF-SJORKVTESA-N	1	0	363.502	1.370	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](CCOc3ccccc3F)C[C@H]21	ZINC001187865415	965809765	/nfs/dbraw/zinc/80/97/65/965809765.db2.gz	NXGKXCBQSPWZHV-XYJFISCASA-N	1	0	360.429	1.776	20	30		FDEDRO
C=CCCOCCCCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]21	ZINC001187904561	965848148	/nfs/dbraw/zinc/84/81/48/965848148.db2.gz	VJLYHOMRNLLEJZ-FGTMMUONSA-N	1	0	365.518	1.759	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](OC)c3ccccc3)C[C@H]21	ZINC001187874033	965869055	/nfs/dbraw/zinc/86/90/55/965869055.db2.gz	LAJZOOQUMIXGCM-XUVXKRRUSA-N	1	0	356.466	1.947	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(COC)cc3)C[C@H]21	ZINC001187882340	965883601	/nfs/dbraw/zinc/88/36/01/965883601.db2.gz	NKGALQPQQSXZQF-LSTHTHJFSA-N	1	0	356.466	1.904	20	30		FDEDRO
CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)CC1	ZINC000775154960	965914392	/nfs/dbraw/zinc/91/43/92/965914392.db2.gz	HVAOYCDSKCMXJH-LSDHHAIUSA-N	1	0	358.442	1.898	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3COc4ccccc4O3)[C@@H]2C1	ZINC001188050765	965968214	/nfs/dbraw/zinc/96/82/14/965968214.db2.gz	FLTIWPBMDHFWGY-OKZBNKHCSA-N	1	0	370.449	1.399	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CC[C@H]2CN(C[C@H](C)CS(C)(=O)=O)C[C@H]21	ZINC001188063312	965986429	/nfs/dbraw/zinc/98/64/29/965986429.db2.gz	IHKOJZWLDYUPJZ-HRCADAONSA-N	1	0	356.532	1.802	20	30		FDEDRO
CN(CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21)C(=O)C1CC1	ZINC001188106870	966016520	/nfs/dbraw/zinc/01/65/20/966016520.db2.gz	ADFRIXDAUIFVDL-RBUKOAKNSA-N	1	0	366.465	1.459	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4cc(OC)ccc43)[C@@H]2C1	ZINC001188145202	966058897	/nfs/dbraw/zinc/05/88/97/966058897.db2.gz	YIHXSWLKOOVGNT-IOMROCGXSA-N	1	0	368.477	1.908	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cn4cc(C)ccc4n3)[C@@H]2C1	ZINC001188329076	966206243	/nfs/dbraw/zinc/20/62/43/966206243.db2.gz	FUNDPDYZGLUDDC-FUHWJXTLSA-N	1	0	354.454	1.992	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(c3)N(C)CCO4)[C@@H]2C1	ZINC001188329610	966208749	/nfs/dbraw/zinc/20/87/49/966208749.db2.gz	OWOQODIOOBRNPN-PKOBYXMFSA-N	1	0	371.481	1.864	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnc4[nH]c(=O)[nH]c4c3)[C@@H]2C1	ZINC001188388481	966255683	/nfs/dbraw/zinc/25/56/83/966255683.db2.gz	PQYLJNCUQAUVJV-SWLSCSKDSA-N	1	0	357.414	1.012	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)[C@@H]2C1	ZINC001188486390	966315593	/nfs/dbraw/zinc/31/55/93/966315593.db2.gz	XNTXGAPQQMBOTL-GVDBMIGSSA-N	1	0	356.532	1.924	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN([C@H](C)C(=O)NCC=C)C[C@H]32)cc1	ZINC001188744251	966552574	/nfs/dbraw/zinc/55/25/74/966552574.db2.gz	LNPOQXIGACGMHB-AYOQOUSVSA-N	1	0	351.450	1.505	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCCc2ccccc21	ZINC001110401675	966552707	/nfs/dbraw/zinc/55/27/07/966552707.db2.gz	LOCZNNNVXZMNGF-WFEDQXDTSA-N	1	0	366.465	1.847	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H](C)CC(N)=O)[C@@H]3C2)cc1C#N	ZINC001188794660	966557731	/nfs/dbraw/zinc/55/77/31/966557731.db2.gz	XIHNBBKDSWJLKJ-UKPHBRMFSA-N	1	0	370.453	1.111	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@H]21	ZINC001188908372	966648888	/nfs/dbraw/zinc/64/88/88/966648888.db2.gz	AYPYTCYUHNNMIN-YESZJQIVSA-N	1	0	369.531	1.157	20	30		FDEDRO
C=C1CCC(C(=O)N2CC[C@H]3C[N@@H+](C[C@H](O)COCCOC)C[C@H]32)CC1	ZINC001189040571	966712814	/nfs/dbraw/zinc/71/28/14/966712814.db2.gz	FKKXMCJDINNNBI-GBESFXJTSA-N	1	0	366.502	1.289	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C)c(C(N)=O)cn3)[C@@H]2C1	ZINC001189174506	966831716	/nfs/dbraw/zinc/83/17/16/966831716.db2.gz	JTGNODKMCRFZRH-RVKKMQEKSA-N	1	0	356.470	1.990	20	30		FDEDRO
C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cccc4ccsc43)[C@@H]2C1	ZINC001189640029	967100197	/nfs/dbraw/zinc/10/01/97/967100197.db2.gz	GAXHWYYSULKCCF-DOTOQJQBSA-N	1	0	367.474	1.797	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCC([C@H]2CCC[N@H+](CC(=O)NCC#N)C2)CC1	ZINC000852303743	967203181	/nfs/dbraw/zinc/20/31/81/967203181.db2.gz	YROAHUUTSIZDSH-INIZCTEOSA-N	1	0	364.490	1.985	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccnc4nc(C)nn43)[C@@H]2C1	ZINC001189770775	967253865	/nfs/dbraw/zinc/25/38/65/967253865.db2.gz	CDZMCERRMDRBGT-UKPHBRMFSA-N	1	0	354.458	1.934	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c4cccnc43)[C@@H]2C1	ZINC001189794667	967271775	/nfs/dbraw/zinc/27/17/75/967271775.db2.gz	UWVMTVUUCFFPNS-JKIFEVAISA-N	1	0	367.453	1.400	20	30		FDEDRO
N#CCCNC(=O)C[NH2+][C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852452827	967329806	/nfs/dbraw/zinc/32/98/06/967329806.db2.gz	HAUPDIKTNMGGKZ-GFCCVEGCSA-N	1	0	354.332	1.126	20	30		FDEDRO
C[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C[C@@H]1COCCO1	ZINC000852495788	967374838	/nfs/dbraw/zinc/37/48/38/967374838.db2.gz	MWXGFUFNGSKQGK-CABCVRRESA-N	1	0	352.394	1.571	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3nc4nc(C)cc(C)n4n3)[C@@H]2C1	ZINC001190019799	967468492	/nfs/dbraw/zinc/46/84/92/967468492.db2.gz	KMCJFPBPEGRPSU-JKSUJKDBSA-N	1	0	370.457	1.090	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CNC(=O)C3CCCCC3)[C@@H]2C1	ZINC001190042493	967513248	/nfs/dbraw/zinc/51/32/48/967513248.db2.gz	QFXQVXCCJZSNCL-ZWKOTPCHSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(-n4cnnn4)c3)[C@@H]2C1	ZINC001190116472	967575232	/nfs/dbraw/zinc/57/52/32/967575232.db2.gz	XMADPWMPBKLDTG-FUHWJXTLSA-N	1	0	368.441	1.011	20	30		FDEDRO
COc1ccccc1NC(=O)C1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1	ZINC000852816190	967628958	/nfs/dbraw/zinc/62/89/58/967628958.db2.gz	LTKGDVDOSZKFPB-UHFFFAOYSA-N	1	0	369.465	1.875	20	30		FDEDRO
CC[C@H]([NH2+]C)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1	ZINC000852817401	967630031	/nfs/dbraw/zinc/63/00/31/967630031.db2.gz	BTKYBMFVYZURCR-SQQITKIUSA-N	1	0	352.460	1.436	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCN(C(=O)CCCc2ccccc2)CC1	ZINC000852828403	967639318	/nfs/dbraw/zinc/63/93/18/967639318.db2.gz	XCRSDHNOOZOSKH-UHFFFAOYSA-N	1	0	367.493	1.683	20	30		FDEDRO
CC[C@@H](C)C(=O)NCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001190212905	967674142	/nfs/dbraw/zinc/67/41/42/967674142.db2.gz	NQOFEXOEEASRFP-AYOQOUSVSA-N	1	0	368.481	1.753	20	30		FDEDRO
C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)[C@H]1CN(Cc2ccccc2)CCO1	ZINC000852869712	967675319	/nfs/dbraw/zinc/67/53/19/967675319.db2.gz	DYKGBXCRCLMTHA-YLJYHZDGSA-N	1	0	355.482	1.395	20	30		FDEDRO
CC(C)(C)c1nc(CN2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)no1	ZINC000852871562	967677774	/nfs/dbraw/zinc/67/77/74/967677774.db2.gz	SDLVTNZIXSBOIT-UHFFFAOYSA-N	1	0	359.474	1.014	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)c3ncc4n3CCCC4)[C@@H]2C1	ZINC001190241225	967689779	/nfs/dbraw/zinc/68/97/79/967689779.db2.gz	SFIJOOYYYDDRAU-HLLBOEOZSA-N	1	0	371.485	1.056	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CC(C)(c3nnc(C4CCOCC4)o3)C2)CCC[NH2+]1	ZINC000852937805	967720141	/nfs/dbraw/zinc/72/01/41/967720141.db2.gz	DFJVNSZHLVWMGJ-IBGZPJMESA-N	1	0	360.458	1.762	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CN(C(C)=O)c3ccccc3)[C@@H]2C1	ZINC001190290179	967741209	/nfs/dbraw/zinc/74/12/09/967741209.db2.gz	MIQUJDKTGUOGFP-AZUAARDMSA-N	1	0	369.465	1.222	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@H]21	ZINC001190450178	967879834	/nfs/dbraw/zinc/87/98/34/967879834.db2.gz	RMIKNXBEIUDYBL-OFQRWUPVSA-N	1	0	352.866	1.660	20	30		FDEDRO
N#Cc1cccc(C(=O)n2ccc(=[NH+]CCN3CCOCC3)c(N)c2)c1F	ZINC001190525019	967921336	/nfs/dbraw/zinc/92/13/36/967921336.db2.gz	HPDFONFKXIEAER-UHFFFAOYSA-N	1	0	369.400	1.002	20	30		FDEDRO
C#C[C@@H](NC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1)C1CCOCC1	ZINC000853232359	967933495	/nfs/dbraw/zinc/93/34/95/967933495.db2.gz	AHXOTIPFAPCQCE-VQTJNVASSA-N	1	0	371.481	1.615	20	30		FDEDRO
C=C(Br)CNC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1	ZINC000853503400	968059867	/nfs/dbraw/zinc/05/98/67/968059867.db2.gz	HJOODJDSWZZISQ-OAHLLOKOSA-N	1	0	368.275	1.961	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)CN(C[N@@H+]3CC[C@@H]4COC[C@@H]4C3)C2=O)cc1	ZINC000853588746	968153628	/nfs/dbraw/zinc/15/36/28/968153628.db2.gz	RBIGCINMXFNYCG-SJORKVTESA-N	1	0	354.410	1.248	20	30		FDEDRO
CC(C)(O)C#Cc1ccc(C(=O)n2c(=N)sc3c2CC[C@H]([NH3+])C3)cc1	ZINC001191186964	968354119	/nfs/dbraw/zinc/35/41/19/968354119.db2.gz	HKJRWKSIGRXLGY-AWEZNQCLSA-N	1	0	355.463	1.656	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCc2ccc(OC)cc2)C[C@H]1O	ZINC001191622583	968628917	/nfs/dbraw/zinc/62/89/17/968628917.db2.gz	SABPEELPSRQZOG-ATZDWAIDSA-N	1	0	362.470	1.380	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](CCc2ccc3ccccc3c2)C[C@H]1O	ZINC001191778078	968743711	/nfs/dbraw/zinc/74/37/11/968743711.db2.gz	SANYBVJFXGSEKX-WOJBJXKFSA-N	1	0	354.450	1.746	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)/C=C\C(C)(C)C)C1	ZINC001191823500	968799141	/nfs/dbraw/zinc/79/91/41/968799141.db2.gz	NIVGKMSSOKOOJH-MVYZRFJHSA-N	1	0	365.518	1.563	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1CN(C[C@@H](O)c2ccc(F)cc2)C[C@H]1O	ZINC001192078238	968923172	/nfs/dbraw/zinc/92/31/72/968923172.db2.gz	DOTQLCYLLNBPPJ-KZNAEPCWSA-N	1	0	366.433	1.003	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](CCCc2cccc(F)c2)C[C@H]1O	ZINC001192054351	968931877	/nfs/dbraw/zinc/93/18/77/968931877.db2.gz	QVAJUOTXXPLASY-RTBURBONSA-N	1	0	364.461	1.902	20	30		FDEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)c1ccc(C#N)cc1OC)CC2	ZINC001192257612	969010283	/nfs/dbraw/zinc/01/02/83/969010283.db2.gz	VANYEGKNBDMBMJ-UHFFFAOYSA-N	1	0	370.453	1.383	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCCCc3ccccc3)C[C@H]2O)c[nH]1	ZINC001192298227	969050162	/nfs/dbraw/zinc/05/01/62/969050162.db2.gz	HBORREUYNBJZSS-RTBURBONSA-N	1	0	352.438	1.684	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C(C)=C2CCC2)C1	ZINC001192769746	969278067	/nfs/dbraw/zinc/27/80/67/969278067.db2.gz	AESJKUIVOZJGKA-CGTJXYLNSA-N	1	0	363.502	1.461	20	30		FDEDRO
COc1ccc(OCCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)cc1	ZINC001192828147	969320214	/nfs/dbraw/zinc/32/02/14/969320214.db2.gz	YYLHLOXSRCZGQI-RTBURBONSA-N	1	0	358.438	1.039	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1C[N@@H+](CCCOc2cccc(Cl)c2)C[C@H]1O	ZINC001192871910	969326650	/nfs/dbraw/zinc/32/66/50/969326650.db2.gz	ZNAYUBOMKAHXBI-QZTJIDSGSA-N	1	0	362.857	1.684	20	30		FDEDRO
C[C@H]([NH2+]Cc1cc(=O)n2ncc(C#N)c2[nH]1)c1ccc(S(C)(=O)=O)cc1	ZINC001192890859	969349962	/nfs/dbraw/zinc/34/99/62/969349962.db2.gz	QDEIKSVXRFQZKU-NSHDSACASA-N	1	0	371.422	1.561	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O	ZINC001192924175	969381002	/nfs/dbraw/zinc/38/10/02/969381002.db2.gz	BEYWKZOWRUSOQO-QZTJIDSGSA-N	1	0	354.491	1.480	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1O	ZINC001192925236	969383531	/nfs/dbraw/zinc/38/35/31/969383531.db2.gz	YBYDJPKKUWILSY-RCCFBDPRSA-N	1	0	354.491	1.480	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]cc2-c2cnn(C)c2)C1	ZINC001192932630	969388245	/nfs/dbraw/zinc/38/82/45/969388245.db2.gz	ZBQAEJKSDFJUGV-MORSLUCNSA-N	1	0	357.458	1.545	20	30		FDEDRO
CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(S(=O)(=O)[C@@H](C)C#N)CC[C@@H]21	ZINC001193123111	969489416	/nfs/dbraw/zinc/48/94/16/969489416.db2.gz	SQZPMYBHLSXGGB-YVSFHVDLSA-N	1	0	365.503	1.298	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)cc(C)c3)C[C@H]2O)CCOCC1	ZINC001193628827	969775395	/nfs/dbraw/zinc/77/53/95/969775395.db2.gz	FMMFFNPBZDFWKA-WOJBJXKFSA-N	1	0	370.493	1.785	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CCc2ccc(F)cc2)C1	ZINC001193629728	969776633	/nfs/dbraw/zinc/77/66/33/969776633.db2.gz	UUWCYMGEKKSYSY-KFKAGJAMSA-N	1	0	364.461	1.758	20	30		FDEDRO
COc1ccc(C#N)c(S(=O)(=O)N2CCO[C@@H](C[NH+]3CCCC3)C2)c1	ZINC001193675082	969805244	/nfs/dbraw/zinc/80/52/44/969805244.db2.gz	OEGBUVPIOKXKIC-INIZCTEOSA-N	1	0	365.455	1.052	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COc2ccc(OC)c(C)c2)C1	ZINC001193738256	969823717	/nfs/dbraw/zinc/82/37/17/969823717.db2.gz	OZTFCWDIEWJKFF-KBAYOESNSA-N	1	0	362.470	1.898	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3c2oc(=O)n3C)C1	ZINC001193738413	969823945	/nfs/dbraw/zinc/82/39/45/969823945.db2.gz	TZMANFCFEGCJRZ-JGGQBBKZSA-N	1	0	359.426	1.261	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](CCc3ccc(OC)cc3)C[C@H]2O)CCC1	ZINC001193710912	969836070	/nfs/dbraw/zinc/83/60/70/969836070.db2.gz	LJIWTLAUODSOLB-RTBURBONSA-N	1	0	356.466	1.593	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](CCCOc2ccccc2)C[C@H]1O	ZINC001193782069	969848001	/nfs/dbraw/zinc/84/80/01/969848001.db2.gz	RLTVEFOPGCVUDN-UYAOXDASSA-N	1	0	369.465	1.918	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c(cn2)OCCO3)C1	ZINC001193835066	969889684	/nfs/dbraw/zinc/88/96/84/969889684.db2.gz	MGUNQPNWGJNTDD-HZPDHXFCSA-N	1	0	363.458	1.598	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)F)ncn2)C1	ZINC001194073981	969987078	/nfs/dbraw/zinc/98/70/78/969987078.db2.gz	BDOVGZYMNPUWGQ-HUUCEWRRSA-N	1	0	354.401	1.936	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3cc(C)nc3C2)C1	ZINC001194102378	970017630	/nfs/dbraw/zinc/01/76/30/970017630.db2.gz	JMWQEGCRWAFHGW-RCCFBDPRSA-N	1	0	360.502	1.662	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1O	ZINC001194243744	970069120	/nfs/dbraw/zinc/06/91/20/970069120.db2.gz	CHRHDWIMOFUXJZ-HUUCEWRRSA-N	1	0	350.488	1.011	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(F)F)nc1C)C2	ZINC001110696789	970133422	/nfs/dbraw/zinc/13/34/22/970133422.db2.gz	KVTBLKMASDEVIH-BMFZPTHFSA-N	1	0	368.428	1.994	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccc(C(N)=O)cc2)C1	ZINC001194681569	970319689	/nfs/dbraw/zinc/31/96/89/970319689.db2.gz	NIOQYSDFGCFVEY-ZTFGCOKTSA-N	1	0	359.470	1.234	20	30		FDEDRO
COC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1	ZINC000776808796	970325286	/nfs/dbraw/zinc/32/52/86/970325286.db2.gz	VKPPDHWGTGLWOU-SUNYJGFJSA-N	1	0	352.479	1.886	20	30		FDEDRO
C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc(OC)c3cccnc32)C1	ZINC001194689959	970328939	/nfs/dbraw/zinc/32/89/39/970328939.db2.gz	CLWNHCGOMUDBPF-CQSZACIVSA-N	1	0	359.451	1.619	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nncn3CC2)C1	ZINC001194815670	970440429	/nfs/dbraw/zinc/44/04/29/970440429.db2.gz	KPZDJVZYSDNDKZ-BRWVUGGUSA-N	1	0	361.490	1.138	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C1CC1	ZINC001110465543	970661348	/nfs/dbraw/zinc/66/13/48/970661348.db2.gz	IKILBIDNEABXEE-RLLQIKCJSA-N	1	0	365.477	1.925	20	30		FDEDRO
CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)C1	ZINC000776828165	970661744	/nfs/dbraw/zinc/66/17/44/970661744.db2.gz	PECVALQJYOPVFM-RVKKMQEKSA-N	1	0	352.479	1.887	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cccn3)nc2)C1	ZINC001195127877	970706779	/nfs/dbraw/zinc/70/67/79/970706779.db2.gz	BHSIHQMHEYSIBC-DJIMGWMZSA-N	1	0	355.442	1.397	20	30		FDEDRO
CC(=[NH+]N[C@H]1CCCS(=O)(=O)C1)c1cccc(N2CCOCC2)c1	ZINC000863129707	972672544	/nfs/dbraw/zinc/67/25/44/972672544.db2.gz	MSBPNIJQFQBJRB-INIZCTEOSA-N	1	0	351.472	1.414	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCCCC(=O)N2)C1	ZINC001198128212	972768785	/nfs/dbraw/zinc/76/87/85/972768785.db2.gz	YKBIYPMVUKODCJ-BRWVUGGUSA-N	1	0	351.491	1.343	20	30		FDEDRO
C=CCc1cc(OC)cc(C[NH+]2CCC(n3cc(C(N)=O)nn3)CC2)c1O	ZINC000863301984	972778642	/nfs/dbraw/zinc/77/86/42/972778642.db2.gz	VQQDZIMLGGOWJH-UHFFFAOYSA-N	1	0	371.441	1.657	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1	ZINC000119421646	972846551	/nfs/dbraw/zinc/84/65/51/972846551.db2.gz	VZAFCMXADDKNSV-MAUKXSAKSA-N	1	0	370.453	1.384	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc(OC)c(OC)c2)C1	ZINC001198286800	972953327	/nfs/dbraw/zinc/95/33/27/972953327.db2.gz	ZBSOGKVEDZCXSH-DJIMGWMZSA-N	1	0	362.470	1.762	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccccc1N1CCOCC1	ZINC000863551131	973007591	/nfs/dbraw/zinc/00/75/91/973007591.db2.gz	IMPFOGLWOVDCEG-IBGZPJMESA-N	1	0	367.449	1.924	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000863553997	973010936	/nfs/dbraw/zinc/01/09/36/973010936.db2.gz	PBHKXGZIRPFPSF-HNNXBMFYSA-N	1	0	353.463	1.514	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H](O)COc1cccc(F)c1	ZINC000863559483	973016727	/nfs/dbraw/zinc/01/67/27/973016727.db2.gz	OOZVOMWWFVWXTL-DLBZAZTESA-N	1	0	360.385	1.467	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(OCC(C)C)cc2)C1	ZINC001198368726	973020910	/nfs/dbraw/zinc/02/09/10/973020910.db2.gz	UFIHYFSLMRJHGD-RTBURBONSA-N	1	0	362.470	1.699	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCC(F)(C3CC3)CC2)CC1	ZINC001198389776	973045388	/nfs/dbraw/zinc/04/53/88/973045388.db2.gz	WYZGJPDSTHDSKP-KRWDZBQOSA-N	1	0	350.482	1.893	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)c2ccco2)C1	ZINC001198451250	973113983	/nfs/dbraw/zinc/11/39/83/973113983.db2.gz	QSAIZCOZCCNFLR-HZPDHXFCSA-N	1	0	363.458	1.307	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1	ZINC000645164682	1014091160	/nfs/dbraw/zinc/09/11/60/1014091160.db2.gz	RYDFAWHIUPZHEY-UXHICEINSA-N	1	0	372.513	1.439	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@H]2C)cn1	ZINC000958029530	1014091656	/nfs/dbraw/zinc/09/16/56/1014091656.db2.gz	WWGQTKBRGXZBOS-PASDCYSWSA-N	1	0	368.481	1.370	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)nnn3CC)C1	ZINC001198528246	973212645	/nfs/dbraw/zinc/21/26/45/973212645.db2.gz	KJMBWEJFKLJFOJ-IEBWSBKVSA-N	1	0	371.485	1.973	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2nc3ccccc3o2)C1	ZINC001198564511	973256346	/nfs/dbraw/zinc/25/63/46/973256346.db2.gz	DQBIOGVRIYDBMM-HZPDHXFCSA-N	1	0	359.426	1.124	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCNC(=O)c2ccco2)C1	ZINC001198565332	973257962	/nfs/dbraw/zinc/25/79/62/973257962.db2.gz	WXEWGENDIGWFOP-ARFHVFGLSA-N	1	0	363.458	1.306	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c([nH]c2=O)CCC3)C1	ZINC001198679824	973402690	/nfs/dbraw/zinc/40/26/90/973402690.db2.gz	IMXOXVSEALSFMJ-QZTJIDSGSA-N	1	0	359.470	1.797	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(-n3ccnc3)c2)C1	ZINC001198713721	973462213	/nfs/dbraw/zinc/46/22/13/973462213.db2.gz	FGEYAUALIWQZFD-USXIJHARSA-N	1	0	355.442	1.397	20	30		FDEDRO
C#CCN[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)c1ccccc1OC	ZINC001198916267	973676219	/nfs/dbraw/zinc/67/62/19/973676219.db2.gz	KUONRLYTPUAPIX-RCCFBDPRSA-N	1	0	352.438	1.613	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(=O)CCC)C2)C1	ZINC001198982765	973777143	/nfs/dbraw/zinc/77/71/43/973777143.db2.gz	MPCHYLXWODMRQA-BRWVUGGUSA-N	1	0	351.491	1.153	20	30		FDEDRO
CCOC1CC(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC#Cc3ccccc3)C2)C1	ZINC001198944695	973785242	/nfs/dbraw/zinc/78/52/42/973785242.db2.gz	LVULNBNZVLGNBN-NTFDOXNWSA-N	1	0	356.466	1.405	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)s1	ZINC001199071189	973889165	/nfs/dbraw/zinc/88/91/65/973889165.db2.gz	NILDZEDEBQMXRR-IAGOWNOFSA-N	1	0	362.499	1.157	20	30		FDEDRO
CN(C)c1cc[nH+]cc1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1	ZINC001199351391	974177019	/nfs/dbraw/zinc/17/70/19/974177019.db2.gz	GDJKUPGUSSAAST-CYBMUJFWSA-N	1	0	359.430	1.733	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)Cc2cccc(F)c2)C1	ZINC001199362153	974215200	/nfs/dbraw/zinc/21/52/00/974215200.db2.gz	BXCMNQXEDSNMST-ZTFGCOKTSA-N	1	0	350.434	1.368	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCC(F)(F)F	ZINC001110533708	974311215	/nfs/dbraw/zinc/31/12/15/974311215.db2.gz	CFTJLDHDBZBVCW-TUVASFSCSA-N	1	0	362.392	1.307	20	30		FDEDRO
C#CC[C@@H](CC(=O)N[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1O)c1ccccc1	ZINC001199505211	974324848	/nfs/dbraw/zinc/32/48/48/974324848.db2.gz	BNYAAZMQODMJIK-XUVXKRRUSA-N	1	0	366.465	1.279	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](NC(C)=O)C(C)(C)C)C1	ZINC001199506895	974329076	/nfs/dbraw/zinc/32/90/76/974329076.db2.gz	XIGIPRHQQLHFFP-BRWVUGGUSA-N	1	0	355.523	1.669	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(CCc3ccccc3)CC2)C1	ZINC001199644508	974428995	/nfs/dbraw/zinc/42/89/95/974428995.db2.gz	VHKHVDBCQIQARU-RTBURBONSA-N	1	0	358.482	1.763	20	30		FDEDRO
C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccnc(OCC2CCOCC2)n1	ZINC001199646790	974432580	/nfs/dbraw/zinc/43/25/80/974432580.db2.gz	QYQCCFMYDVGJJK-INIZCTEOSA-N	1	0	360.458	1.662	20	30		FDEDRO
Cc1ccccc1OC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2	ZINC001110543604	974554650	/nfs/dbraw/zinc/55/46/50/974554650.db2.gz	ZJVLDULABALMBK-WCIQWLHISA-N	1	0	368.477	1.870	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CCNC(=O)c2cc3ccccc3[nH]2)CC1	ZINC000866015850	974623958	/nfs/dbraw/zinc/62/39/58/974623958.db2.gz	VFQAGEYWDJWJSC-UHFFFAOYSA-N	1	0	366.465	1.892	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1COc2ccccc2O1	ZINC001110550813	974733168	/nfs/dbraw/zinc/73/31/68/974733168.db2.gz	HERLVZYFRXMVSS-TVFCKZIOSA-N	1	0	370.449	1.588	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCn1cncn1	ZINC001110551179	974734857	/nfs/dbraw/zinc/73/48/57/974734857.db2.gz	RXBGJUAMRMIVFB-KURKYZTESA-N	1	0	359.474	1.210	20	30		FDEDRO
C#Cc1nc(Br)cnc1NC(=S)NCC[NH+]1CCCCC1	ZINC001200419860	974760571	/nfs/dbraw/zinc/76/05/71/974760571.db2.gz	PGMHNQOEKDBQBJ-UHFFFAOYSA-N	1	0	368.304	1.993	20	30		FDEDRO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]CC#Cc2cccc(Cl)c2)CC1	ZINC001200471003	974797133	/nfs/dbraw/zinc/79/71/33/974797133.db2.gz	BVOCVSRPVWOZAR-IAGOWNOFSA-N	1	0	361.829	1.937	20	30		FDEDRO
C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2COCC[C@@H]2c2ccccc2)CCCO1	ZINC001200528183	974807669	/nfs/dbraw/zinc/80/76/69/974807669.db2.gz	GIKVSABUGLZZDV-XUVXKRRUSA-N	1	0	356.466	1.647	20	30		FDEDRO
C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccncc2)CCCO1	ZINC001200529503	974808907	/nfs/dbraw/zinc/80/89/07/974808907.db2.gz	WFUFPYNNHJXQMG-OTWHNJEPSA-N	1	0	359.470	1.942	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C	ZINC000776094398	974822688	/nfs/dbraw/zinc/82/26/88/974822688.db2.gz	AGXBAVZVJSLVCD-KRWDZBQOSA-N	1	0	374.485	1.913	20	30		FDEDRO
CC[C@@H]1CCO[C@@H]1C(=O)N1CCC([NH2+]CC(=O)N(CC)CCC#N)CC1	ZINC001201133964	974964030	/nfs/dbraw/zinc/96/40/30/974964030.db2.gz	FXIFACWDMYXGHY-QAPCUYQASA-N	1	0	364.490	1.144	20	30		FDEDRO
C#C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1CCCO1	ZINC000776155926	975007126	/nfs/dbraw/zinc/00/71/26/975007126.db2.gz	DIJZHGBKBIAPSE-PMACEKPBSA-N	1	0	371.481	1.623	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CCCO1	ZINC001201411404	975033755	/nfs/dbraw/zinc/03/37/55/975033755.db2.gz	PXJCYTCSENCZEH-FGTMMUONSA-N	1	0	365.518	1.842	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2	ZINC001110567067	975056735	/nfs/dbraw/zinc/05/67/35/975056735.db2.gz	XMPXHXLQBOTKJW-MLHJIOFPSA-N	1	0	374.529	1.110	20	30		FDEDRO
COc1ccc(C#N)cc1-n1ccc(=[NH+]CCN2CCOCC2)c(N)c1	ZINC001201580312	975087461	/nfs/dbraw/zinc/08/74/61/975087461.db2.gz	MZYYYFNQYVZYNT-UHFFFAOYSA-N	1	0	353.426	1.173	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CCOCC2CC2)C1	ZINC001201621354	975100888	/nfs/dbraw/zinc/10/08/88/975100888.db2.gz	KCEVATWQVNXBCS-QYZOEREBSA-N	1	0	366.502	1.601	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1	ZINC000867403234	975140535	/nfs/dbraw/zinc/14/05/35/975140535.db2.gz	XJBBBEDUTZPXCQ-RBUKOAKNSA-N	1	0	366.465	1.625	20	30		FDEDRO
C#C[C@H](NC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCO1	ZINC000776223435	975182888	/nfs/dbraw/zinc/18/28/88/975182888.db2.gz	AMLTYAGXBBYRBC-BJLQDIEVSA-N	1	0	357.454	1.103	20	30		FDEDRO
C#C[C@H](NC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)[C@@H]1CCCO1	ZINC000776229275	975211410	/nfs/dbraw/zinc/21/14/10/975211410.db2.gz	FBBHSFOUVQQIFC-RDGPPVDQSA-N	1	0	362.518	1.367	20	30		FDEDRO
C#C[C@H]1CCCN(C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)C1	ZINC000847282092	975417152	/nfs/dbraw/zinc/41/71/52/975417152.db2.gz	KCHYYNQMNRNTBH-SFHVURJKSA-N	1	0	354.498	1.989	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1	ZINC000847378022	975553482	/nfs/dbraw/zinc/55/34/82/975553482.db2.gz	IPSJVZBWOHKSOF-MSOLQXFVSA-N	1	0	360.479	1.157	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1cccc2nonc21)C(C)C	ZINC000847478379	975699132	/nfs/dbraw/zinc/69/91/32/975699132.db2.gz	XKPORANAQOHUPX-MRXNPFEDSA-N	1	0	371.441	1.976	20	30		FDEDRO
COC(=O)c1cccc(C[N@@H+]2C[C@H]3COCC[C@@]3(C(=O)OC)C2)c1C#N	ZINC000796521247	1014285395	/nfs/dbraw/zinc/28/53/95/1014285395.db2.gz	MUNGWUSKLKFKDH-IFXJQAMLSA-N	1	0	358.394	1.356	20	30		FDEDRO
CNC(=O)NCCC(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000847747209	976018074	/nfs/dbraw/zinc/01/80/74/976018074.db2.gz	YYRWJYCNVWWLLB-UHFFFAOYSA-N	1	0	358.442	1.655	20	30		FDEDRO
N#CC1(COC(=O)[C@H]2CCNC(=O)C2)CC[NH+](Cc2ccccc2)CC1	ZINC000847749738	976021161	/nfs/dbraw/zinc/02/11/61/976021161.db2.gz	ZVLZIGWDCNMWAC-KRWDZBQOSA-N	1	0	355.438	1.862	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)C2	ZINC001110594346	976070983	/nfs/dbraw/zinc/07/09/83/976070983.db2.gz	QSIUNENYAHKCOW-UPJWGTAASA-N	1	0	372.391	1.977	20	30		FDEDRO
C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)C1CC[NH2+]CC1	ZINC000866810906	976085400	/nfs/dbraw/zinc/08/54/00/976085400.db2.gz	FADQBPXHIOVGSK-SNVBAGLBSA-N	1	0	372.288	1.987	20	30		FDEDRO
O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N[C@@H]1CCCN(O)C1=O	ZINC000848137407	976370013	/nfs/dbraw/zinc/37/00/13/976370013.db2.gz	ALRXLWONPUGARG-QGZVFWFLSA-N	1	0	360.458	1.085	20	30		FDEDRO
CCC[N@H+](C)CC(=O)Nn1c(C)c(Br)c(C)c(C#N)c1=O	ZINC000848374802	976701982	/nfs/dbraw/zinc/70/19/82/976701982.db2.gz	CNLREIDJJHSSME-UHFFFAOYSA-N	1	0	355.236	1.511	20	30		FDEDRO
CC(C)(C)n1nnc(CO[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)n1	ZINC000848508796	976866052	/nfs/dbraw/zinc/86/60/52/976866052.db2.gz	CPOQBBISKMQXJM-UHFFFAOYSA-N	1	0	373.461	1.226	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCCOC	ZINC001110603897	976899437	/nfs/dbraw/zinc/89/94/37/976899437.db2.gz	UXPHGSPBGVOCSF-VQHPVUNQSA-N	1	0	354.491	1.334	20	30		FDEDRO
C=CCCN(OCc1ccccc1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1	ZINC000848636183	976971769	/nfs/dbraw/zinc/97/17/69/976971769.db2.gz	SRYPHXJNDAHOTR-HDICACEKSA-N	1	0	359.470	1.979	20	30		FDEDRO
C#CC[N@H+](C)CCCNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F	ZINC000848712477	977038660	/nfs/dbraw/zinc/03/86/60/977038660.db2.gz	LDNYEXXWEOXTTR-UHFFFAOYSA-N	1	0	350.394	1.938	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCCC(=O)NCc1ccccc1	ZINC000867947528	977128215	/nfs/dbraw/zinc/12/82/15/977128215.db2.gz	RRMDAWLUOFRABH-HXUWFJFHSA-N	1	0	362.433	1.568	20	30		FDEDRO
COc1ccc(OCCNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)cc1	ZINC000867949184	977129938	/nfs/dbraw/zinc/12/99/38/977129938.db2.gz	QJPCKLFMXHKNHX-LJQANCHMSA-N	1	0	351.406	1.949	20	30		FDEDRO
N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)N1CC[NH+](CC2CCOCC2)CC1	ZINC000867959941	977142861	/nfs/dbraw/zinc/14/28/61/977142861.db2.gz	FDLGEOVFHHHWBL-FQEVSTJZSA-N	1	0	368.481	1.316	20	30		FDEDRO
COC(=O)CCN(C[C@@H]1CCCO1)C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000867979852	977164119	/nfs/dbraw/zinc/16/41/19/977164119.db2.gz	OZUGMGYQBKDJFH-LPHOPBHVSA-N	1	0	371.437	1.316	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC(Cn2cnnc2)CC1	ZINC000867982320	977166206	/nfs/dbraw/zinc/16/62/06/977166206.db2.gz	OYMPQFZWTZKYCP-SFHVURJKSA-N	1	0	350.426	1.275	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCn2c(CC3CC3)nnc2C1	ZINC000867982786	977167677	/nfs/dbraw/zinc/16/76/77/977167677.db2.gz	WVWAOEUGIGKRJD-LJQANCHMSA-N	1	0	362.437	1.331	20	30		FDEDRO
CCNC(NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)=[NH+]CC	ZINC000848994388	977286817	/nfs/dbraw/zinc/28/68/17/977286817.db2.gz	QNVADLRXBJNIFG-UHFFFAOYSA-N	1	0	370.494	1.944	20	30		FDEDRO
CCNC(NCCCC(=O)NC1CCN(C(=O)OCC)CC1)=[NH+]CC	ZINC000849006839	977289085	/nfs/dbraw/zinc/28/90/85/977289085.db2.gz	YBPRXZSZYMSLFC-UHFFFAOYSA-N	1	0	355.483	1.079	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1ccc(OCCCOC)cc1	ZINC000849050949	977293656	/nfs/dbraw/zinc/29/36/56/977293656.db2.gz	PLLFQYYMAQKHBR-UHFFFAOYSA-N	1	0	364.490	1.099	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCC(F)(F)c1ccc(Cl)cc1	ZINC000849050647	977293963	/nfs/dbraw/zinc/29/39/63/977293963.db2.gz	BZRMAWOOILDBMQ-UHFFFAOYSA-N	1	0	360.836	1.929	20	30		FDEDRO
C[NH+]=C(NCCc1ccc(N2CCCCC2)cc1)NCCN1CCOCC1	ZINC000849071073	977302514	/nfs/dbraw/zinc/30/25/14/977302514.db2.gz	UGBKDNANKDLSSR-UHFFFAOYSA-N	1	0	373.545	1.717	20	30		FDEDRO
CCOCCC[NH+]=C(NCc1cnnn1C)NCc1ccc(OC)cc1	ZINC000849077745	977305230	/nfs/dbraw/zinc/30/52/30/977305230.db2.gz	OPAXBUGSDNFKHB-UHFFFAOYSA-N	1	0	360.462	1.486	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCOC[C@@H]3CCCO3)=[NH+]C[C@@H]2C1	ZINC000849087073	977307806	/nfs/dbraw/zinc/30/78/06/977307806.db2.gz	UROPNIMDRJFLHE-CABCVRRESA-N	1	0	368.478	1.063	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@@H](NC(=O)NC1CC[NH+](C[C@H]3CCOC3)CC1)C2	ZINC000868275133	977431779	/nfs/dbraw/zinc/43/17/79/977431779.db2.gz	OCOWAJZGWJTPFZ-UZLBHIALSA-N	1	0	368.481	1.826	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)NC1CC[NH+](C[C@@H]3CCOC3)CC1)C2	ZINC000868275131	977432107	/nfs/dbraw/zinc/43/21/07/977432107.db2.gz	OCOWAJZGWJTPFZ-OXJNMPFZSA-N	1	0	368.481	1.826	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)NC2CCN(c3ccccc3C#N)CC2)C1	ZINC000868284914	977444123	/nfs/dbraw/zinc/44/41/23/977444123.db2.gz	YOOLWXVUHQOSFY-SFHVURJKSA-N	1	0	371.485	1.547	20	30		FDEDRO
C#CCOc1cccc(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1	ZINC000108517666	977460219	/nfs/dbraw/zinc/46/02/19/977460219.db2.gz	XZYPGEWDEPPYNO-UHFFFAOYSA-N	1	0	370.453	1.471	20	30		FDEDRO
C[C@H](CNC(=O)N[C@H]1Cc2ccc(C#N)cc2C1)C[NH+]1CCN(C)CC1	ZINC000868357916	977527496	/nfs/dbraw/zinc/52/74/96/977527496.db2.gz	JWHSPQJBFNWDTK-BEFAXECRSA-N	1	0	355.486	1.208	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000645473675	1014415385	/nfs/dbraw/zinc/41/53/85/1014415385.db2.gz	VXCCFKMIQVTUBM-RBUKOAKNSA-N	1	0	359.470	1.351	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1cc2nc(C)cc(C(F)(F)F)n2n1	ZINC000868582052	977790738	/nfs/dbraw/zinc/79/07/38/977790738.db2.gz	RBCHUHUDPVWFRZ-UHFFFAOYSA-N	1	0	353.348	1.741	20	30		FDEDRO
C#CCn1cc(CNC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cn1	ZINC000849590206	977797461	/nfs/dbraw/zinc/79/74/61/977797461.db2.gz	XTDANIKIDMTUJT-RTBURBONSA-N	1	0	368.485	1.380	20	30		FDEDRO
C#C[C@H](NC(=O)N1CCC([NH+]2CCN(C)CC2)CC1)c1ccc(F)cc1	ZINC000868635932	977848488	/nfs/dbraw/zinc/84/84/88/977848488.db2.gz	FIGBTYHMHJOTCQ-IBGZPJMESA-N	1	0	358.461	1.921	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNS(=O)(=O)CC)C2	ZINC001110620591	978304736	/nfs/dbraw/zinc/30/47/36/978304736.db2.gz	KNXXWMJXIJBXOU-OAGGEKHMSA-N	1	0	357.520	1.394	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(OC(F)F)c(OC)c1	ZINC000850459841	978383075	/nfs/dbraw/zinc/38/30/75/978383075.db2.gz	HUWRQGCMTDEAPH-UHFFFAOYSA-N	1	0	369.368	1.306	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1	ZINC000850551264	978434005	/nfs/dbraw/zinc/43/40/05/978434005.db2.gz	UKQRLNBRIMGAGI-AWEZNQCLSA-N	1	0	361.417	1.765	20	30		FDEDRO
Cc1ncc(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1C#N	ZINC000850586187	978448237	/nfs/dbraw/zinc/44/82/37/978448237.db2.gz	NGDORODQJUPTCA-KRWDZBQOSA-N	1	0	359.455	1.306	20	30		FDEDRO
N#CCOc1cccc(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)c1	ZINC000850829144	978687917	/nfs/dbraw/zinc/68/79/17/978687917.db2.gz	DRIWRYRZPYTFON-MRXNPFEDSA-N	1	0	370.453	1.766	20	30		FDEDRO
N#Cc1cccnc1NCCNC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1	ZINC000851654437	978985468	/nfs/dbraw/zinc/98/54/68/978985468.db2.gz	CDLZJALUIFXZCZ-QGZVFWFLSA-N	1	0	356.474	1.786	20	30		FDEDRO
COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NCc2ccc(C#N)cn2)cc1	ZINC000851660073	978987632	/nfs/dbraw/zinc/98/76/32/978987632.db2.gz	BOIRWRYMSAYJTP-OALUTQOASA-N	1	0	365.437	1.907	20	30		FDEDRO
CC(=O)N1C[C@@H]2C[N@H+]([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C[C@@H]2C1	ZINC000880311096	979089043	/nfs/dbraw/zinc/08/90/43/979089043.db2.gz	UKSSQOFLULRFAM-UXXRCDSJSA-N	1	0	360.502	1.716	20	30		FDEDRO
C#CCC1(O)CC[NH+](CC(=O)N2CCN([C@H](C)c3ccccc3)CC2)CC1	ZINC000880477872	979218198	/nfs/dbraw/zinc/21/81/98/979218198.db2.gz	OHLLIJDCAKTTRM-LJQANCHMSA-N	1	0	369.509	1.742	20	30		FDEDRO
C#CCC1(O)CC[NH+]([C@H](C)C(=O)NCc2ccc(OC)c(OC)c2)CC1	ZINC000880478066	979219136	/nfs/dbraw/zinc/21/91/36/979219136.db2.gz	RXEDTZWEXYGVKB-OAHLLOKOSA-N	1	0	360.454	1.559	20	30		FDEDRO
C#CCC1(O)CC[NH+]([C@H](C)C(=O)N(C)C[C@@H]2COc3ccccc3O2)CC1	ZINC000880478556	979219224	/nfs/dbraw/zinc/21/92/24/979219224.db2.gz	BKPFWDQDFUUELW-IAGOWNOFSA-N	1	0	372.465	1.524	20	30		FDEDRO
C#CCC1(O)CC[NH+]([C@@H](C)C(=O)N(C)C[C@H]2COc3ccccc3O2)CC1	ZINC000880478558	979219330	/nfs/dbraw/zinc/21/93/30/979219330.db2.gz	BKPFWDQDFUUELW-IRXDYDNUSA-N	1	0	372.465	1.524	20	30		FDEDRO
C#CCC1(O)CC[NH+]([C@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)CC1	ZINC000880483659	979224727	/nfs/dbraw/zinc/22/47/27/979224727.db2.gz	IOLYMDQDNPOCLB-MAUKXSAKSA-N	1	0	352.475	1.597	20	30		FDEDRO
C#C[C@H](NC(=O)NC1CC[NH+](Cc2ccccn2)CC1)C1CCOCC1	ZINC000851960923	979225298	/nfs/dbraw/zinc/22/52/98/979225298.db2.gz	AWBIKJVLTRHQPM-IBGZPJMESA-N	1	0	356.470	1.774	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@H+]2Cc3ccccc3N3CCC[C@H]3C2)CC1	ZINC000880554885	979294957	/nfs/dbraw/zinc/29/49/57/979294957.db2.gz	OOLCZMXNWAHRKU-IBGZPJMESA-N	1	0	352.482	1.248	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H]([N@@H+]3C[C@@H](O)CC4(CCOCC4)C3)C2=O)cc1	ZINC000880585495	979330344	/nfs/dbraw/zinc/33/03/44/979330344.db2.gz	XOGCVMLGIJPBBR-ZWKOTPCHSA-N	1	0	355.438	1.527	20	30		FDEDRO
C#C[C@@](C)(CC)[NH2+][C@@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F	ZINC000852098105	979349800	/nfs/dbraw/zinc/34/98/00/979349800.db2.gz	FSCMXQZQFRNGNJ-BTDLBPIBSA-N	1	0	355.360	1.939	20	30		FDEDRO
C#C[C@](C)(CC)[NH2+][C@@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1	ZINC000852101292	979351314	/nfs/dbraw/zinc/35/13/14/979351314.db2.gz	OYDPCHJGBXLZBZ-LAUBAEHRSA-N	1	0	357.498	1.915	20	30		FDEDRO
COc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n(C)n1	ZINC000881252726	979777916	/nfs/dbraw/zinc/77/79/16/979777916.db2.gz	CEBXEYUNHDKKNF-UHFFFAOYSA-N	1	0	356.430	1.896	20	30		FDEDRO
C=C[C@](C)(O)c1cn([C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1	ZINC000881277234	979799799	/nfs/dbraw/zinc/79/97/99/979799799.db2.gz	DMVWBJGFSHPSKI-KNBMTAEXSA-N	1	0	369.469	1.623	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1	ZINC000968081170	1014626248	/nfs/dbraw/zinc/62/62/48/1014626248.db2.gz	RQATYXLDYWMOLK-BWPNAZKDSA-N	1	0	369.509	1.746	20	30		FDEDRO
C[N@@H+]1Cc2ccccc2[C@@H]1CNc1ccc(C#N)cc1CS(N)(=O)=O	ZINC000882697555	981607170	/nfs/dbraw/zinc/60/71/70/981607170.db2.gz	DVYDNDQGSBHIGH-SFHVURJKSA-N	1	0	356.451	1.945	20	30		FDEDRO
C#CCNc1nc(NC[C@H]2C[C@H](OC)C2)[nH+]c(NC[C@H]2C[C@H](OC)C2)n1	ZINC000882797466	981690108	/nfs/dbraw/zinc/69/01/08/981690108.db2.gz	WQSFOGRWWKWFGK-KTSLABGISA-N	1	0	360.462	1.591	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1coc(S(N)(=O)=O)c1)C2	ZINC001110732593	981692035	/nfs/dbraw/zinc/69/20/35/981692035.db2.gz	MQTXENXAEGRMFL-MCIONIFRSA-N	1	0	353.444	1.228	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(NC(C)=O)CCCCC1)C2	ZINC001110732598	981692222	/nfs/dbraw/zinc/69/22/22/981692222.db2.gz	MSWSTMNMQHKXPZ-KURKYZTESA-N	1	0	363.502	1.750	20	30		FDEDRO
CC(=O)c1ccc(C#N)cc1N[C@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000882987692	981862898	/nfs/dbraw/zinc/86/28/98/981862898.db2.gz	MQCMXODSUMPTOR-SFHVURJKSA-N	1	0	356.470	1.969	20	30		FDEDRO
N#CCc1cccc2c1CCN(C(=O)NC[C@H]1C[N@@H+]3CCC[C@@H]3CO1)C2	ZINC000858191921	981903800	/nfs/dbraw/zinc/90/38/00/981903800.db2.gz	FGALOOXLSLMBBD-MSOLQXFVSA-N	1	0	354.454	1.684	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1	ZINC000858252700	981943602	/nfs/dbraw/zinc/94/36/02/981943602.db2.gz	PMCWXMBRHAXOIV-IAOVAPTHSA-N	1	0	351.472	1.927	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000858275687	981954736	/nfs/dbraw/zinc/95/47/36/981954736.db2.gz	LEGRKXPPRHASOV-MOPGFXCFSA-N	1	0	358.486	1.313	20	30		FDEDRO
C=CCC[C@H]([NH2+]C[C@]1(O)CCS(=O)(=O)C1)[C@H]1Cc2ccccc2O1	ZINC000883226267	982021953	/nfs/dbraw/zinc/02/19/53/982021953.db2.gz	VHXFDRVXBIEHBE-CGTJXYLNSA-N	1	0	351.468	1.464	20	30		FDEDRO
C=CCC[C@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1)[C@H]1CCCO1	ZINC000883371344	982099626	/nfs/dbraw/zinc/09/96/26/982099626.db2.gz	HDWRWSALVASVRT-SLFFLAALSA-N	1	0	351.535	1.886	20	30		FDEDRO
C#CCOc1ccc(C[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)cc1	ZINC000883371871	982100457	/nfs/dbraw/zinc/10/04/57/982100457.db2.gz	CKNCIASMEPLJQB-HXUWFJFHSA-N	1	0	357.498	1.585	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccc1C1CC1	ZINC000883610762	982307615	/nfs/dbraw/zinc/30/76/15/982307615.db2.gz	CSOSBBVEUDZVPO-YWZLYKJASA-N	1	0	352.438	1.962	20	30		FDEDRO
C#CCOCCC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000132544885	982373952	/nfs/dbraw/zinc/37/39/52/982373952.db2.gz	RCNXRNRRLGVUNT-GOSISDBHSA-N	1	0	357.454	1.040	20	30		FDEDRO
COC[C@](C)(CCO)[NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N	ZINC000132592632	982391393	/nfs/dbraw/zinc/39/13/93/982391393.db2.gz	JPKBWQKOMNCMLH-LIRRHRJNSA-N	1	0	354.410	1.601	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(Br)nc1F	ZINC000859173161	982597155	/nfs/dbraw/zinc/59/71/55/982597155.db2.gz	UVRWKHUDAORGFV-UHFFFAOYSA-N	1	0	364.240	1.217	20	30		FDEDRO
C=CCNC(=O)NC1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC001202578550	982631901	/nfs/dbraw/zinc/63/19/01/982631901.db2.gz	WNCSDQCOOIVAGS-OAHLLOKOSA-N	1	0	352.479	1.945	20	30		FDEDRO
C=CCNC(=O)NC1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC001202578549	982631927	/nfs/dbraw/zinc/63/19/27/982631927.db2.gz	WNCSDQCOOIVAGS-HNNXBMFYSA-N	1	0	352.479	1.945	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N(CCc1ccccc1)CC[NH+](C)C	ZINC000800009444	982707420	/nfs/dbraw/zinc/70/74/20/982707420.db2.gz	NNEPRUYZEVWPSQ-MRXNPFEDSA-N	1	0	352.504	1.429	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N(C)Cc1ccc(C[NH+](C)C)cc1	ZINC000800036664	982714423	/nfs/dbraw/zinc/71/44/23/982714423.db2.gz	AYIKZSVLJDDEEZ-UHFFFAOYSA-N	1	0	368.503	1.287	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1	ZINC000884060158	982790427	/nfs/dbraw/zinc/79/04/27/982790427.db2.gz	QFYXORXSBGQRQY-UHFFFAOYSA-N	1	0	373.501	1.446	20	30		FDEDRO
CCOC(=O)[C@H](Cc1ccccc1)NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884068221	982815890	/nfs/dbraw/zinc/81/58/90/982815890.db2.gz	IJAKVWUNEZDSLW-RXCRORICSA-N	1	0	355.438	1.416	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1ccc(C(=O)N3CCOCC3)cc1)C2	ZINC000884072522	982820204	/nfs/dbraw/zinc/82/02/04/982820204.db2.gz	FPTZYRPOARZEPO-LFDOHDQPSA-N	1	0	368.437	1.237	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)NCCCC[NH+]2CCN(CC)CC2)CC1	ZINC000884077927	982830855	/nfs/dbraw/zinc/83/08/55/982830855.db2.gz	BIIDBECKSQTMMX-UHFFFAOYSA-N	1	0	352.523	1.517	20	30		FDEDRO
CCOCCOCc1cccc(CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c1	ZINC000884081238	982836289	/nfs/dbraw/zinc/83/62/89/982836289.db2.gz	STNRTDJOCXZZBZ-SCCNAQOGSA-N	1	0	371.481	1.995	20	30		FDEDRO
CCCCNC(=O)C1(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CCCCC1	ZINC000884118365	982898810	/nfs/dbraw/zinc/89/88/10/982898810.db2.gz	DFXDKEFXEWXYDQ-KOHRHEQBSA-N	1	0	360.502	1.861	20	30		FDEDRO
CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884125155	982907090	/nfs/dbraw/zinc/90/70/90/982907090.db2.gz	RMUGHOZVAXPRIS-IDYZSHNDSA-N	1	0	368.481	1.876	20	30		FDEDRO
CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884125156	982907160	/nfs/dbraw/zinc/90/71/60/982907160.db2.gz	RMUGHOZVAXPRIS-WBTXTPOCSA-N	1	0	368.481	1.876	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)CC1	ZINC000884135851	982918707	/nfs/dbraw/zinc/91/87/07/982918707.db2.gz	VOTDMVFDZWBDKR-UHFFFAOYSA-N	1	0	353.507	1.988	20	30		FDEDRO
C=CCN1c2ccccc2C(=NNC(=S)NC[C@@H]2CCC[N@H+]2CC)C1=O	ZINC000884136717	982919317	/nfs/dbraw/zinc/91/93/17/982919317.db2.gz	SXQNOCYEMTWAFX-AWEZNQCLSA-N	1	0	371.510	1.872	20	30		FDEDRO
CC(C)[C@H](C(=O)OCC#CCN1C(=O)c2ccccc2C1=O)[NH+]1CCCC1	ZINC000859567521	982921866	/nfs/dbraw/zinc/92/18/66/982921866.db2.gz	RTGPJIDGYUUUDL-GOSISDBHSA-N	1	0	368.433	1.950	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NCc2ccn(-c3ccc(OC)cc3)n2)C1	ZINC000884150470	982929266	/nfs/dbraw/zinc/92/92/66/982929266.db2.gz	MOQQQIXIEUMDTG-KRWDZBQOSA-N	1	0	367.453	1.778	20	30		FDEDRO
COCCOCCN(Cc1ccccc1)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884166558	982942216	/nfs/dbraw/zinc/94/22/16/982942216.db2.gz	FNCZSYRKUGTSAA-SCCNAQOGSA-N	1	0	371.481	1.818	20	30		FDEDRO
COC(=O)[C@H](C)[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccccc1	ZINC000884170344	982944624	/nfs/dbraw/zinc/94/46/24/982944624.db2.gz	VMKKVIYMSHBZSB-BVVDNFFRSA-N	1	0	355.438	1.792	20	30		FDEDRO
Cn1cc(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc(Br)c1=O	ZINC000884172271	982945739	/nfs/dbraw/zinc/94/57/39/982945739.db2.gz	QKASKUVRCCCONC-VOZQYIJBSA-N	1	0	365.231	1.226	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCS(=O)(=O)C3(CCCCC3)C1)C2	ZINC000884172435	982946420	/nfs/dbraw/zinc/94/64/20/982946420.db2.gz	UZWYTQGTOMYSJS-ISXOHVOVSA-N	1	0	365.499	1.086	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCCc1ccc3c(c1)OCCO3)C2	ZINC000884173458	982946475	/nfs/dbraw/zinc/94/64/75/982946475.db2.gz	WLEOUDOORFYYLW-LFDOHDQPSA-N	1	0	355.438	1.646	20	30		FDEDRO
Cc1nc2ccccc2n1CCCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884179493	982952431	/nfs/dbraw/zinc/95/24/31/982952431.db2.gz	QHVJWADHXNPHPV-NGEICVOHSA-N	1	0	351.454	1.990	20	30		FDEDRO
Cc1ccc([C@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)N2CCOCC2)o1	ZINC000884182052	982957269	/nfs/dbraw/zinc/95/72/69/982957269.db2.gz	XMXHHGHDRBMMGB-ASPXRTSYSA-N	1	0	372.469	1.217	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1	ZINC000884186277	982961997	/nfs/dbraw/zinc/96/19/97/982961997.db2.gz	WCMMCGIBBABWCR-IBGZPJMESA-N	1	0	373.497	1.981	20	30		FDEDRO
C[C@H]1CN(c2ccc(CNC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)cn2)CCO1	ZINC000884186642	982962832	/nfs/dbraw/zinc/96/28/32/982962832.db2.gz	FXLVJUCRDNMQLQ-UVYBKSOCSA-N	1	0	369.469	1.062	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000884194945	982970965	/nfs/dbraw/zinc/97/09/65/982970965.db2.gz	WUECYNWZWKGQFW-MSOLQXFVSA-N	1	0	359.470	1.556	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1	ZINC000859695661	982978300	/nfs/dbraw/zinc/97/83/00/982978300.db2.gz	YULDRFLWEYHGFD-SJORKVTESA-N	1	0	369.425	1.656	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1ccc(N3CCOCC3)c(F)c1)C2	ZINC000884210891	982987269	/nfs/dbraw/zinc/98/72/69/982987269.db2.gz	MQMZDEYGOZTMNC-BIWSTMPVSA-N	1	0	358.417	1.740	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCN(c3ncccc3Cl)C1)C2	ZINC000884228529	983003517	/nfs/dbraw/zinc/00/35/17/983003517.db2.gz	RXPWMQXEPXXUEP-HPGRBHQUSA-N	1	0	359.861	1.569	20	30		FDEDRO
CCc1nsc(N2CCCN(C(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CC2)n1	ZINC000884232182	983006553	/nfs/dbraw/zinc/00/65/53/983006553.db2.gz	KVLWXLLUHLKRJI-TXKKKEFDSA-N	1	0	374.514	1.279	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCCCN3C[C@H]2C)CC1	ZINC000332497686	983063997	/nfs/dbraw/zinc/06/39/97/983063997.db2.gz	ZISOMLMZXFTZKF-SJLPKXTDSA-N	1	0	362.518	1.228	20	30		FDEDRO
COc1cc2c(cc1CNC(=O)C1CC3(C1)C[NH2+]C[C@H]3C#N)O[C@H](C)C2	ZINC000884305728	983070107	/nfs/dbraw/zinc/07/01/07/983070107.db2.gz	GCRJSUZVEUYAFF-QIROLPSPSA-N	1	0	355.438	1.774	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCCc1ccc3c(c1)OC(F)(F)O3)C2	ZINC000884387740	983132484	/nfs/dbraw/zinc/13/24/84/983132484.db2.gz	CTIRWDSKAAJGGP-JZLYGMAVSA-N	1	0	363.364	1.806	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(C)(C)c2ccc(C#N)cc2)CC1	ZINC000860183584	983276443	/nfs/dbraw/zinc/27/64/43/983276443.db2.gz	LNPWTHULVIJEQY-SFHVURJKSA-N	1	0	368.481	1.601	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O	ZINC000860897364	983553228	/nfs/dbraw/zinc/55/32/28/983553228.db2.gz	MQQRXGRXLJAXLK-HIFRSBDPSA-N	1	0	359.430	1.439	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(OC)ccnc1OC)C2	ZINC001110799345	983720089	/nfs/dbraw/zinc/72/00/89/983720089.db2.gz	MYSBLOHVYOXXDF-KFWWJZLASA-N	1	0	361.442	1.637	20	30		FDEDRO
C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)Nc1ccc(F)cc1OCC#N)C2	ZINC000861530479	983765077	/nfs/dbraw/zinc/76/50/77/983765077.db2.gz	ZNCPIWGSASKTOF-HDICACEKSA-N	1	0	360.389	1.125	20	30		FDEDRO
C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1	ZINC000861542110	983771378	/nfs/dbraw/zinc/77/13/78/983771378.db2.gz	LVVPITZDAGTFJM-SNVBAGLBSA-N	1	0	360.805	1.141	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1	ZINC000861544854	983772859	/nfs/dbraw/zinc/77/28/59/983772859.db2.gz	QXZFFYDCHPIJMJ-GOSISDBHSA-N	1	0	355.438	1.224	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1	ZINC000861572930	983782273	/nfs/dbraw/zinc/78/22/73/983782273.db2.gz	YQCYSQOKKFEUSS-LJQANCHMSA-N	1	0	372.469	1.889	20	30		FDEDRO
C#Cc1cccc(CNC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1	ZINC000861636627	983797858	/nfs/dbraw/zinc/79/78/58/983797858.db2.gz	SHAXBZGYXSEJPK-MSOLQXFVSA-N	1	0	368.437	1.135	20	30		FDEDRO
NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC([NH2+]CC#Cc2cccc(Cl)c2)CC1	ZINC001202526558	984603165	/nfs/dbraw/zinc/60/31/65/984603165.db2.gz	KBOARINXDJUWMT-SJORKVTESA-N	1	0	359.857	1.394	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCC3(CC3)CC1)C2	ZINC001110824786	984667964	/nfs/dbraw/zinc/66/79/64/984667964.db2.gz	ZHWDBWZNTZZOSF-HPBDAGMYSA-N	1	0	357.498	1.816	20	30		FDEDRO
CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCc2ccc(CC#N)cc2)C1	ZINC000884730069	984736423	/nfs/dbraw/zinc/73/64/23/984736423.db2.gz	BOUKBCRWTJROCA-HXUWFJFHSA-N	1	0	356.470	1.592	20	30		FDEDRO
C[NH+](C)CCn1cc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)cn1	ZINC000870094028	985652462	/nfs/dbraw/zinc/65/24/62/985652462.db2.gz	WZVICJDPKYAKRT-UHFFFAOYSA-N	1	0	352.442	1.279	20	30		FDEDRO
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1	ZINC000885880599	985744122	/nfs/dbraw/zinc/74/41/22/985744122.db2.gz	VAZJAYGGHALUQG-DNVCBOLYSA-N	1	0	365.474	1.618	20	30		FDEDRO
C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(C#N)c1)n1cncn1	ZINC001095333883	985901564	/nfs/dbraw/zinc/90/15/64/985901564.db2.gz	OGGOLKIZVGCGJS-ZSGPHXLJSA-N	1	0	350.426	1.632	20	30		FDEDRO
C=CCOc1c(Br)cc(C[NH2+][C@H]2C[C@@H](O)[C@@H](O)C2)cc1OC	ZINC000886257814	986002539	/nfs/dbraw/zinc/00/25/39/986002539.db2.gz	MHRWQIHXLSGGSK-UBSAEIQESA-N	1	0	372.259	1.996	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C2)CCC1	ZINC000886313964	986056760	/nfs/dbraw/zinc/05/67/60/986056760.db2.gz	IKEVJDCZQLWAIL-BDXSIMOUSA-N	1	0	363.502	1.563	20	30		FDEDRO
CN(C)S(=O)(=O)C1(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1	ZINC000886321263	986066238	/nfs/dbraw/zinc/06/62/38/986066238.db2.gz	YZAFZOTUWJVSRG-UHFFFAOYSA-N	1	0	362.499	1.541	20	30		FDEDRO
CN(C)S(=O)(=O)C1(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)CC1	ZINC000886321988	986067066	/nfs/dbraw/zinc/06/70/66/986067066.db2.gz	GRPUGWNVQOFFQC-UHFFFAOYSA-N	1	0	350.488	1.550	20	30		FDEDRO
C#CC[C@@H]1CC[N@@H+](CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OC)C1	ZINC000886356354	986094628	/nfs/dbraw/zinc/09/46/28/986094628.db2.gz	YKHXADXUARUBHL-BEFAXECRSA-N	1	0	367.449	1.713	20	30		FDEDRO
CC[C@H](C[NH+](C)C)OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000870551329	986116443	/nfs/dbraw/zinc/11/64/43/986116443.db2.gz	XMMSIHXWVFWIRN-TZMCWYRMSA-N	1	0	353.444	1.108	20	30		FDEDRO
Cc1noc(CCC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c[nH]c(C#N)c2)C3)n1	ZINC001095337495	986146228	/nfs/dbraw/zinc/14/62/28/986146228.db2.gz	YOTHBXLNFKTOIV-PMPSAXMXSA-N	1	0	354.414	1.546	20	30		FDEDRO
CN1CCN(c2cc[nH+]c(NC(=O)Cc3ccc(OCC#N)cc3)c2)CC1	ZINC000870667738	986214453	/nfs/dbraw/zinc/21/44/53/986214453.db2.gz	IMUOIERWEDFPBN-UHFFFAOYSA-N	1	0	365.437	1.917	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1	ZINC000123313081	986301807	/nfs/dbraw/zinc/30/18/07/986301807.db2.gz	OJVKTWSZUSPXCG-MRXNPFEDSA-N	1	0	355.438	1.581	20	30		FDEDRO
C#CCN(C(=O)/C=C\c1ccc(S(C)(=O)=O)o1)C1CC[NH+](C)CC1	ZINC000886573852	986374606	/nfs/dbraw/zinc/37/46/06/986374606.db2.gz	ZAVMYTHZSZTZMU-ALCCZGGFSA-N	1	0	350.440	1.252	20	30		FDEDRO
C#CCN(C(=O)[C@@]1(c2ccccc2)CCC(=O)NC1)C1CC[NH+](C)CC1	ZINC000886575852	986375210	/nfs/dbraw/zinc/37/52/10/986375210.db2.gz	NBJJSOZRSMNPKG-NRFANRHFSA-N	1	0	353.466	1.390	20	30		FDEDRO
C#CCN(C(=O)c1coc(Sc2ncccn2)n1)C1CC[NH+](C)CC1	ZINC000886575851	986375771	/nfs/dbraw/zinc/37/57/71/986375771.db2.gz	MXODSASLXWEBAB-UHFFFAOYSA-N	1	0	357.439	1.785	20	30		FDEDRO
C#CCN(C(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C1CC[NH+](C)CC1	ZINC000886583387	986388341	/nfs/dbraw/zinc/38/83/41/986388341.db2.gz	OLPZTFHKFYKAKQ-UHFFFAOYSA-N	1	0	362.437	1.496	20	30		FDEDRO
C#CCN(C(=O)CNC(=O)NCc1ccc(C)cc1)C1CC[NH+](C)CC1	ZINC000886585360	986391178	/nfs/dbraw/zinc/39/11/78/986391178.db2.gz	SGYNILYIFVPWJU-UHFFFAOYSA-N	1	0	356.470	1.350	20	30		FDEDRO
C=CCC1(O)CC[NH+](CCCN2C(=O)CS/C2=C\C(=O)OC)CC1	ZINC000886774582	986578758	/nfs/dbraw/zinc/57/87/58/986578758.db2.gz	QJFAWEHJOBMDTP-QINSGFPZSA-N	1	0	354.472	1.369	20	30		FDEDRO
C=CCn1c([C@H]2CCCO2)nnc1N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000871051629	986618900	/nfs/dbraw/zinc/61/89/00/986618900.db2.gz	FIPSLDQRNIFEEG-QGZVFWFLSA-N	1	0	360.506	1.532	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(Cc2nc([C@H]3CCC[NH2+]C3)no2)s1	ZINC000871789005	987242471	/nfs/dbraw/zinc/24/24/71/987242471.db2.gz	FZMVBBDOGVFHFZ-NSHDSACASA-N	1	0	368.484	1.653	20	30		FDEDRO
N#CCc1ccc(CS(=O)(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1	ZINC000871810810	987258342	/nfs/dbraw/zinc/25/83/42/987258342.db2.gz	OYFLTBRPFPPJHS-KRWDZBQOSA-N	1	0	363.483	1.331	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1	ZINC000795189241	987296388	/nfs/dbraw/zinc/29/63/88/987296388.db2.gz	FQVBPXCEZYZQJC-FXAWDEMLSA-N	1	0	368.408	1.916	20	30		FDEDRO
C#CCNC(=O)CC[N@@H+]1CC2(CCOCC2)[C@@H]1c1cnn(CC(C)C)c1	ZINC000871989064	987414724	/nfs/dbraw/zinc/41/47/24/987414724.db2.gz	XEMVNKAWGJYKNB-IBGZPJMESA-N	1	0	358.486	1.832	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)CCOCC1	ZINC000872248448	987541313	/nfs/dbraw/zinc/54/13/13/987541313.db2.gz	USWPCOQOXZIWMF-DLBZAZTESA-N	1	0	352.862	1.904	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)N[C@H](C)CCN1CC[NH+](C)CC1	ZINC000872478135	987702553	/nfs/dbraw/zinc/70/25/53/987702553.db2.gz	RXDDVMIIKLAYHG-OAHLLOKOSA-N	1	0	350.488	1.171	20	30		FDEDRO
C=C(C)Cn1c(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)nnc1C(C)(C)C	ZINC000292878079	987920939	/nfs/dbraw/zinc/92/09/39/987920939.db2.gz	HTUZCCUQEHZFMS-INIZCTEOSA-N	1	0	374.533	1.895	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1)C[NH+](C)C	ZINC000293194360	987987839	/nfs/dbraw/zinc/98/78/39/987987839.db2.gz	NZWMNEJAEGCZRN-INIZCTEOSA-N	1	0	364.449	1.734	20	30		FDEDRO
C=CCc1cc(C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)c(O)c(OC)c1	ZINC000872796441	988078118	/nfs/dbraw/zinc/07/81/18/988078118.db2.gz	SBPOVEUJEBJPQM-GOEBONIOSA-N	1	0	351.468	1.996	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH+]1CCC([C@@H]2CCCCCN2C(=O)COC)CC1	ZINC000360588629	988082822	/nfs/dbraw/zinc/08/28/22/988082822.db2.gz	QNPJZUFWBVAZJV-WMZOPIPTSA-N	1	0	363.502	1.254	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCC2C[C@H]3CC[C@@H](C2)S3(=O)=O)CC1	ZINC000872881951	988230621	/nfs/dbraw/zinc/23/06/21/988230621.db2.gz	RKHJYXWQKAXWDK-ZXFUBFMLSA-N	1	0	369.531	1.682	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccc(CC#N)cc1	ZINC000365932557	988237837	/nfs/dbraw/zinc/23/78/37/988237837.db2.gz	RJIPJKQCDXLXOI-HNNXBMFYSA-N	1	0	370.453	1.403	20	30		FDEDRO
C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC000872925545	988292480	/nfs/dbraw/zinc/29/24/80/988292480.db2.gz	WNCAGDCRDMYTLI-MRXNPFEDSA-N	1	0	356.474	1.659	20	30		FDEDRO
C[C@@H]1CN(c2ccccc2CN(CCC#N)CCN2CCOCC2)CCO1	ZINC000294189399	988336755	/nfs/dbraw/zinc/33/67/55/988336755.db2.gz	KUYYUQQCSATQPM-LJQANCHMSA-N	1	0	372.513	1.960	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+](C)C[C@H](O)COc2ccc(CCOC)cc2)C1=O	ZINC000294239753	988353520	/nfs/dbraw/zinc/35/35/20/988353520.db2.gz	UCDUJXDZVKYDJA-PKOBYXMFSA-N	1	0	362.470	1.334	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)n1	ZINC000366110866	988422554	/nfs/dbraw/zinc/42/25/54/988422554.db2.gz	WRDSONWFYFAZNQ-IEBWSBKVSA-N	1	0	373.501	1.549	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1F	ZINC000873108683	988574111	/nfs/dbraw/zinc/57/41/11/988574111.db2.gz	ZYNMCWWLYALORB-KOLCDFICSA-N	1	0	358.295	1.231	20	30		FDEDRO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)cc1	ZINC000366434623	988695913	/nfs/dbraw/zinc/69/59/13/988695913.db2.gz	LAGCEPTUMABVGM-XIRDDKMYSA-N	1	0	368.437	1.225	20	30		FDEDRO
COc1ccc(C[N@@H+]2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1OCCCC#N	ZINC000366486391	988713539	/nfs/dbraw/zinc/71/35/39/988713539.db2.gz	XKVTVXRFSFTIQI-LSDHHAIUSA-N	1	0	357.410	1.472	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1CCC[C@@H]([N@H+](C)Cc2ccccc2)CC1	ZINC000362753342	988725243	/nfs/dbraw/zinc/72/52/43/988725243.db2.gz	NJCVHIBSOCGTBB-GOSISDBHSA-N	1	0	358.486	1.985	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1	ZINC000362918551	988777815	/nfs/dbraw/zinc/77/78/15/988777815.db2.gz	QNJUXHYJLVSQPW-MRXNPFEDSA-N	1	0	370.453	1.982	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1	ZINC000295834740	988782557	/nfs/dbraw/zinc/78/25/57/988782557.db2.gz	MZIJODQLMIPFBO-QGZVFWFLSA-N	1	0	359.470	1.314	20	30		FDEDRO
C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCC(C#N)(c2ccccn2)CC1	ZINC000367056814	988910363	/nfs/dbraw/zinc/91/03/63/988910363.db2.gz	CDORSDXNXWROAU-AWEZNQCLSA-N	1	0	357.458	1.952	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1cc(N(C)C)ncn1)C(C)C	ZINC000296028708	988918291	/nfs/dbraw/zinc/91/82/91/988918291.db2.gz	NYSICNBBGPNALB-OAHLLOKOSA-N	1	0	374.489	1.296	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)c(OC)c1	ZINC000367452016	988951916	/nfs/dbraw/zinc/95/19/16/988951916.db2.gz	SQSIVDRIASFGNU-LZJOCLMNSA-N	1	0	374.481	1.810	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1	ZINC000367770402	988967291	/nfs/dbraw/zinc/96/72/91/988967291.db2.gz	OMHMHVUWXZKPPV-CZUORRHYSA-N	1	0	359.401	1.329	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc3c2OCCC3=O)CC1	ZINC000367854513	988970832	/nfs/dbraw/zinc/97/08/32/988970832.db2.gz	JQUXZJDSMVQQRX-UHFFFAOYSA-N	1	0	371.437	1.747	20	30		FDEDRO
C=CCN(CC(=O)N[C@H](C)C(=O)N(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000363185064	988977247	/nfs/dbraw/zinc/97/72/47/988977247.db2.gz	OPMRJKGHQJBDFQ-IEBWSBKVSA-N	1	0	372.513	1.342	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)cc1C#N	ZINC000873681137	988982333	/nfs/dbraw/zinc/98/23/33/988982333.db2.gz	CAXIUUAWQYDRBM-UHFFFAOYSA-N	1	0	356.426	1.496	20	30		FDEDRO
C=CCN(CC(=O)NCCC(=O)OC)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000369142599	989030515	/nfs/dbraw/zinc/03/05/15/989030515.db2.gz	FPQDRYDEHBGWGX-SFHVURJKSA-N	1	0	359.470	1.428	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1C#N	ZINC000873714003	989044517	/nfs/dbraw/zinc/04/45/17/989044517.db2.gz	QWBANWBHTAVEQU-INIZCTEOSA-N	1	0	360.458	1.988	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1C#N	ZINC000873717909	989053823	/nfs/dbraw/zinc/05/38/23/989053823.db2.gz	HAEODJYVXCQMSY-CQSZACIVSA-N	1	0	358.442	1.742	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccnn2-c2ccc(F)cc2)CC1	ZINC000873734924	989088318	/nfs/dbraw/zinc/08/83/18/989088318.db2.gz	SVOAUPJPCYFKEJ-UHFFFAOYSA-N	1	0	371.416	1.717	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(NC(=O)NC(C)C)cc1	ZINC000296290215	989098922	/nfs/dbraw/zinc/09/89/22/989098922.db2.gz	JOZMFIYPLGIADK-UHFFFAOYSA-N	1	0	359.474	1.971	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)CC1(C)C	ZINC000369712853	989114646	/nfs/dbraw/zinc/11/46/46/989114646.db2.gz	QGLYDEKNAOVKNS-UHFFFAOYSA-N	1	0	371.485	1.357	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2ccncc2)CC1	ZINC000369757225	989148870	/nfs/dbraw/zinc/14/88/70/989148870.db2.gz	KNBFKPVLQNNZQJ-SFHVURJKSA-N	1	0	354.454	1.290	20	30		FDEDRO
Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1	ZINC000873772761	989153727	/nfs/dbraw/zinc/15/37/27/989153727.db2.gz	LHGFWHPAPXHDPL-CXAGYDPISA-N	1	0	358.417	1.887	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1	ZINC000363418580	989180550	/nfs/dbraw/zinc/18/05/50/989180550.db2.gz	PIHVCADVZZGSFL-MRXNPFEDSA-N	1	0	369.465	1.652	20	30		FDEDRO
C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1)C1CC1	ZINC000363480425	989234828	/nfs/dbraw/zinc/23/48/28/989234828.db2.gz	CQGDAIDBYKWYQL-OXJNMPFZSA-N	1	0	360.502	1.909	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCC(=O)Nc1cccc2cccnc21	ZINC000296491953	989240590	/nfs/dbraw/zinc/24/05/90/989240590.db2.gz	AVDDCOUJVBFXNQ-UHFFFAOYSA-N	1	0	353.426	1.428	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(CC(=O)NCc2cccc(C#N)c2)CC1	ZINC000363509915	989256713	/nfs/dbraw/zinc/25/67/13/989256713.db2.gz	DKRCOSJJPKOJRQ-FQEVSTJZSA-N	1	0	369.513	1.276	20	30		FDEDRO
COCCC[N@@H+]1CCCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000369906754	989291373	/nfs/dbraw/zinc/29/13/73/989291373.db2.gz	RMEXIOOGQNBLHR-LJQANCHMSA-N	1	0	356.470	1.708	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCCC3(CC[NH+](C)CC3)C2)cc1C#N	ZINC000873864467	989351784	/nfs/dbraw/zinc/35/17/84/989351784.db2.gz	SIJAPJJTPWXFDA-UHFFFAOYSA-N	1	0	370.453	1.840	20	30		FDEDRO
C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1	ZINC000363681650	989391626	/nfs/dbraw/zinc/39/16/26/989391626.db2.gz	CWIBYFOFFIARMP-SJLPKXTDSA-N	1	0	373.453	1.559	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)NC1CCN(c2ccccc2OC)CC1	ZINC000296816240	989423987	/nfs/dbraw/zinc/42/39/87/989423987.db2.gz	IYYPODKGCWBBRH-UHFFFAOYSA-N	1	0	358.486	1.918	20	30		FDEDRO
CON=C(C(=O)Nc1ccccc1N1CC[NH+](C)CC1)c1csc(N)n1	ZINC000873907143	989429245	/nfs/dbraw/zinc/42/92/45/989429245.db2.gz	WOGITYZXLJSHIK-UHFFFAOYSA-N	1	0	374.470	1.466	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1	ZINC000297037029	989463980	/nfs/dbraw/zinc/46/39/80/989463980.db2.gz	WIBVJYHBPOCOMF-KRWDZBQOSA-N	1	0	371.485	1.705	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCCCC(=O)N1CCc2ccccc21	ZINC000297048871	989466564	/nfs/dbraw/zinc/46/65/64/989466564.db2.gz	XFORTAOLMYYAJE-UHFFFAOYSA-N	1	0	356.470	1.610	20	30		FDEDRO
C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1	ZINC000364350088	989545362	/nfs/dbraw/zinc/54/53/62/989545362.db2.gz	DZLQGXBGVCKDIZ-ZWKOTPCHSA-N	1	0	354.454	1.602	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c(OC)c1	ZINC000370223931	989562002	/nfs/dbraw/zinc/56/20/02/989562002.db2.gz	WSQRBKMZDMEVCS-TVKQPGBESA-N	1	0	374.481	1.749	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC3(CC2)CC[NH+](C)CC3)nn1CCC#N	ZINC000874014584	989641832	/nfs/dbraw/zinc/64/18/32/989641832.db2.gz	GJAVWTWXMDLGAE-UHFFFAOYSA-N	1	0	372.473	1.378	20	30		FDEDRO
C#Cc1ccc(CNC(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1	ZINC000297712579	989652538	/nfs/dbraw/zinc/65/25/38/989652538.db2.gz	RYCPKAWZHSPHPF-FQEVSTJZSA-N	1	0	354.498	1.979	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)cc1	ZINC000364660875	989705161	/nfs/dbraw/zinc/70/51/61/989705161.db2.gz	SZNJDJKUGXVFFP-IRWQIABSSA-N	1	0	353.426	1.820	20	30		FDEDRO
CC(C)N1C(=O)CC[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000874076066	989713403	/nfs/dbraw/zinc/71/34/03/989713403.db2.gz	CJTKAZBKMINVJX-SFHVURJKSA-N	1	0	356.470	1.848	20	30		FDEDRO
CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)Oc3ccccc3C#N)C2)CC1	ZINC000370422271	989730339	/nfs/dbraw/zinc/73/03/39/989730339.db2.gz	HLBJWUDSEBPSPS-HKUYNNGSSA-N	1	0	370.497	1.952	20	30		FDEDRO
C[NH+](C)C1(C)CCC(NC(=O)C(=O)Nc2cccc(OCC#N)c2)CC1	ZINC000874120214	989768103	/nfs/dbraw/zinc/76/81/03/989768103.db2.gz	RWJYFYXCGGYFDL-UHFFFAOYSA-N	1	0	358.442	1.907	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1C#N	ZINC000874175324	989884413	/nfs/dbraw/zinc/88/44/13/989884413.db2.gz	WCFFISFQMNEIAC-RHSMWYFYSA-N	1	0	370.453	1.837	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000298202915	989959088	/nfs/dbraw/zinc/95/90/88/989959088.db2.gz	XRONOFVFPYXKAZ-LJQANCHMSA-N	1	0	370.497	1.050	20	30		FDEDRO
CCN1CCO[C@H](CN2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)C1	ZINC000370873502	990072344	/nfs/dbraw/zinc/07/23/44/990072344.db2.gz	VAUIMMOJJXYUKN-FQEVSTJZSA-N	1	0	370.497	1.356	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)cc1	ZINC000874366443	990188273	/nfs/dbraw/zinc/18/82/73/990188273.db2.gz	VAYLEVXAFFKWBZ-IRXDYDNUSA-N	1	0	370.453	1.236	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1	ZINC000124991254	990249352	/nfs/dbraw/zinc/24/93/52/990249352.db2.gz	JKMUEMFTYJEQGU-ZNMIVQPWSA-N	1	0	364.490	1.811	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CC(=O)NCc1ccc(C#N)cc1	ZINC000371292473	990343790	/nfs/dbraw/zinc/34/37/90/990343790.db2.gz	CEZXADXERDBDHY-CEXWTWQISA-N	1	0	356.470	1.358	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C	ZINC000964583706	1015564929	/nfs/dbraw/zinc/56/49/29/1015564929.db2.gz	HFUKCXFDCCWZLK-NCOADZHNSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc(OC)ns2)C1	ZINC000968719477	1015568464	/nfs/dbraw/zinc/56/84/64/1015568464.db2.gz	VVSIQYWXCDCJGQ-YUELXQCFSA-N	1	0	351.472	1.823	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCCN(c2ncccc2C(N)=O)CC1	ZINC000371558012	990524940	/nfs/dbraw/zinc/52/49/40/990524940.db2.gz	MBEVCIKBPDXXBZ-MRXNPFEDSA-N	1	0	371.485	1.282	20	30		FDEDRO
COCCc1noc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000371564303	990530332	/nfs/dbraw/zinc/53/03/32/990530332.db2.gz	DJKIYZRUBSWQEZ-UHFFFAOYSA-N	1	0	355.442	1.838	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)N[C@H]1Cc2ccc(C#N)cc2C1)[NH+]1CCN(C)CC1	ZINC000875048681	990792147	/nfs/dbraw/zinc/79/21/47/990792147.db2.gz	VMBDFUGIYIMARH-VQTJNVASSA-N	1	0	369.513	1.597	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000875123271	990927811	/nfs/dbraw/zinc/92/78/11/990927811.db2.gz	SRBBKJSZNKDDQA-VVLHAWIVSA-N	1	0	351.491	1.014	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](OC)C[C@@H]2CC(=O)OCC)CC1	ZINC000372242566	990978220	/nfs/dbraw/zinc/97/82/20/990978220.db2.gz	UKGYDIDJPTZUGG-SJORKVTESA-N	1	0	367.490	1.779	20	30		FDEDRO
C=C[C@@H](CC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1	ZINC000372288934	990997287	/nfs/dbraw/zinc/99/72/87/990997287.db2.gz	VLLKCHGACNZRJQ-ICSRJNTNSA-N	1	0	357.498	1.869	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2c2cncc(C)c2)CC1	ZINC000875182028	991020415	/nfs/dbraw/zinc/02/04/15/991020415.db2.gz	BZOOXEGVEZRKJA-GOSISDBHSA-N	1	0	356.470	1.820	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1	ZINC000372341523	991025475	/nfs/dbraw/zinc/02/54/75/991025475.db2.gz	DKFFUWMENQHPHK-ZWKOTPCHSA-N	1	0	358.442	1.362	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1	ZINC000372578259	991237621	/nfs/dbraw/zinc/23/76/21/991237621.db2.gz	LITRBRWXDFVBLS-AEFFLSMTSA-N	1	0	370.453	1.422	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1	ZINC000372618487	991272241	/nfs/dbraw/zinc/27/22/41/991272241.db2.gz	AMRDTLSKMRGNPL-GJZGRUSLSA-N	1	0	359.401	1.519	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1)[C@H]1CCCO1	ZINC000875325467	991322356	/nfs/dbraw/zinc/32/23/56/991322356.db2.gz	RGZFXCQHEIYFCQ-FGTMMUONSA-N	1	0	361.486	1.197	20	30		FDEDRO
C#CC[C@@H]1CCCN(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1	ZINC000825785357	991403635	/nfs/dbraw/zinc/40/36/35/991403635.db2.gz	KLZMEKCKTGPBCT-QGZVFWFLSA-N	1	0	355.486	1.778	20	30		FDEDRO
Cc1ccc(N(CCC#N)C(=O)CN2CCC[N@@H+]([C@@H](C)CO)CC2)cc1C	ZINC000372736044	991427241	/nfs/dbraw/zinc/42/72/41/991427241.db2.gz	GLKSIXXUWNPHFP-IBGZPJMESA-N	1	0	372.513	1.939	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO	ZINC000875477385	991610819	/nfs/dbraw/zinc/61/08/19/991610819.db2.gz	YIPWOTUGXKZVFX-OALUTQOASA-N	1	0	359.470	1.481	20	30		FDEDRO
CC[NH+](CC)CCOCCNC(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC000875485001	991626146	/nfs/dbraw/zinc/62/61/46/991626146.db2.gz	DAJNIUBTMFATAK-UHFFFAOYSA-N	1	0	374.489	1.143	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1	ZINC000875603964	991792971	/nfs/dbraw/zinc/79/29/71/991792971.db2.gz	HGAMCEJEIBKFLQ-PKOBYXMFSA-N	1	0	371.481	1.264	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCCC1(O)CCN(c2ccccc2)CC1	ZINC000875623964	991821428	/nfs/dbraw/zinc/82/14/28/991821428.db2.gz	YOVZWGPDECATTQ-UHFFFAOYSA-N	1	0	372.513	1.662	20	30		FDEDRO
C=C(C)CN(C)C(=O)C(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000410811112	991912724	/nfs/dbraw/zinc/91/27/24/991912724.db2.gz	NJPGQQLGACHUTA-IRXDYDNUSA-N	1	0	365.518	1.759	20	30		FDEDRO
CSC[C@](C)(C#N)NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1	ZINC000875714983	991933502	/nfs/dbraw/zinc/93/35/02/991933502.db2.gz	YVSNHPUKGZCLGY-RYRKJORJSA-N	1	0	363.531	1.995	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)CC2)CC[N@@H+]1C	ZINC000964818315	1015680660	/nfs/dbraw/zinc/68/06/60/1015680660.db2.gz	CHJKZHSCHDJQHB-FVQBIDKESA-N	1	0	357.458	1.337	20	30		FDEDRO
C[NH+](C)C[C@@](C)(O)CNC(=O)NC1CCN(c2ccccc2C#N)CC1	ZINC000876002777	992249140	/nfs/dbraw/zinc/24/91/40/992249140.db2.gz	ISLIWMITDIZGFS-IBGZPJMESA-N	1	0	359.474	1.139	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1	ZINC000876072613	992278857	/nfs/dbraw/zinc/27/88/57/992278857.db2.gz	YVBHQZSWINICMF-CEXWTWQISA-N	1	0	360.502	1.779	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N2CCOC[C@]2(COC)C[NH+](C)C)cc1	ZINC000876474844	992645808	/nfs/dbraw/zinc/64/58/08/992645808.db2.gz	IJQLIOGWPYXNNW-HXUWFJFHSA-N	1	0	360.454	1.508	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	ZINC000411868329	992675345	/nfs/dbraw/zinc/67/53/45/992675345.db2.gz	ZFCHRSGCVPWBKB-OTWHNJEPSA-N	1	0	368.481	1.721	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	ZINC000411868328	992675621	/nfs/dbraw/zinc/67/56/21/992675621.db2.gz	ZFCHRSGCVPWBKB-IPMKNSEASA-N	1	0	368.481	1.721	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(C[NH2+]C)CC2)s1	ZINC000876527343	992686038	/nfs/dbraw/zinc/68/60/38/992686038.db2.gz	AUXTUFVXYUWSAT-UHFFFAOYSA-N	1	0	371.528	1.213	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)CC1	ZINC000411930476	992720714	/nfs/dbraw/zinc/72/07/14/992720714.db2.gz	ZHDJAOCATFFBCK-ZCNNSNEGSA-N	1	0	370.497	1.487	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1	ZINC000876609482	992740127	/nfs/dbraw/zinc/74/01/27/992740127.db2.gz	SVOXRXHFZQXRPH-MRXNPFEDSA-N	1	0	365.861	1.473	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CCCOc1cccc(S(C)(=O)=O)c1	ZINC000876623305	992749149	/nfs/dbraw/zinc/74/91/49/992749149.db2.gz	GNRFWPKBJNJKBG-HNNXBMFYSA-N	1	0	374.890	1.787	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NCCNC(=O)c1cccc(Br)c1	ZINC000876637390	992762210	/nfs/dbraw/zinc/76/22/10/992762210.db2.gz	MZZCDSLARVHFCH-LBPRGKRZSA-N	1	0	374.666	1.765	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC[C@@H](N2CCCC2=O)C1	ZINC000876651927	992773124	/nfs/dbraw/zinc/77/31/24/992773124.db2.gz	CXHMKOGRHFMVDH-APWZRJJASA-N	1	0	352.438	1.358	20	30		FDEDRO
CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@H]1[NH2+]CCc3cc(C#N)ccc31)CC2	ZINC000876678677	992789954	/nfs/dbraw/zinc/78/99/54/992789954.db2.gz	JCBPLOIMDVXBEO-OTWHNJEPSA-N	1	0	369.465	1.524	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O	ZINC000876697016	992805873	/nfs/dbraw/zinc/80/58/73/992805873.db2.gz	NZTYWDGSMIAKJI-LSDHHAIUSA-N	1	0	367.833	1.395	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC1CCN(CC(F)(F)F)CC1	ZINC000876718929	992828314	/nfs/dbraw/zinc/82/83/14/992828314.db2.gz	ZFOFQSFUHZSFOZ-INIZCTEOSA-N	1	0	366.387	1.888	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H](NC(=O)[C@@H]3C[C@H]3C3CC3)CC2)CC1	ZINC000964941563	1015740955	/nfs/dbraw/zinc/74/09/55/1015740955.db2.gz	LJYPUKHUIFMFIW-SLFFLAALSA-N	1	0	371.525	1.875	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CCN(CC)CC2)cc1	ZINC000876741709	992859067	/nfs/dbraw/zinc/85/90/67/992859067.db2.gz	XTIAMJUNZWTDKW-MRXNPFEDSA-N	1	0	364.877	1.873	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1	ZINC000876769768	992892360	/nfs/dbraw/zinc/89/23/60/992892360.db2.gz	ZOMHLQZRYPCOIM-GJZGRUSLSA-N	1	0	351.882	1.178	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000876789436	992914344	/nfs/dbraw/zinc/91/43/44/992914344.db2.gz	AXGHKNCZDGJXCA-IBGZPJMESA-N	1	0	355.486	1.363	20	30		FDEDRO
N#Cc1ccc(C2(C(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)CCCC2)cc1	ZINC000876853900	992938115	/nfs/dbraw/zinc/93/81/15/992938115.db2.gz	PSXVYTKJEUVBAL-LJQANCHMSA-N	1	0	352.482	1.876	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCCN(C(=O)C2CC2)CC1	ZINC000876874631	992944459	/nfs/dbraw/zinc/94/44/59/992944459.db2.gz	IBJQABOXUOZHJI-GOSISDBHSA-N	1	0	352.438	1.216	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)[C@@H](C(N)=O)c1cccc(Br)c1	ZINC000876889152	992950508	/nfs/dbraw/zinc/95/05/08/992950508.db2.gz	KBXBUYLPRJVXNY-VXGBXAGGSA-N	1	0	374.666	1.904	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cccc(CN2CCN(C(C)=O)CC2)c1	ZINC000876895702	992955699	/nfs/dbraw/zinc/95/56/99/992955699.db2.gz	IVSIIWFTUDMXIL-QGZVFWFLSA-N	1	0	364.877	1.759	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(CNC(=O)c2ccccn2)CC1	ZINC000876900782	992959103	/nfs/dbraw/zinc/95/91/03/992959103.db2.gz	QYKYANQKYMRURV-CQSZACIVSA-N	1	0	350.850	1.520	20	30		FDEDRO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCNS(=O)(=O)Cc1ccccc1	ZINC000876961430	992985771	/nfs/dbraw/zinc/98/57/71/992985771.db2.gz	UAPCGNWYRFOFNZ-INIZCTEOSA-N	1	0	365.499	1.795	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[NH2+]C[C@@H]2C(C)C)ccc1F	ZINC000876999022	993001712	/nfs/dbraw/zinc/00/17/12/993001712.db2.gz	QKJHJVHGRMYEOB-OAHLLOKOSA-N	1	0	369.462	1.360	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CCC(=O)NC2)C3)cc1	ZINC001095522811	993170821	/nfs/dbraw/zinc/17/08/21/993170821.db2.gz	MFHHLKCHOGQNFG-RDGPPVDQSA-N	1	0	366.465	1.696	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1	ZINC000375487329	993183195	/nfs/dbraw/zinc/18/31/95/993183195.db2.gz	VTTMAMCMKFGCJZ-HNNXBMFYSA-N	1	0	361.490	1.261	20	30		FDEDRO
N#Cc1ccc2c(c1)CCN[C@H]2C(=O)NCC1C[C@H]2CC[C@@H](C1)S2(=O)=O	ZINC000877314241	993206084	/nfs/dbraw/zinc/20/60/84/993206084.db2.gz	VWEJVJAOOFOQKL-NPVYPNSJSA-N	1	0	373.478	1.217	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1	ZINC000877339894	993226359	/nfs/dbraw/zinc/22/63/59/993226359.db2.gz	HOTQZQZKVTUSOF-QGZVFWFLSA-N	1	0	351.406	1.776	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)s1	ZINC000877387039	993264530	/nfs/dbraw/zinc/26/45/30/993264530.db2.gz	XQCLBCGQJXSPSY-XJKSGUPXSA-N	1	0	369.512	1.156	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@]23CCC[C@H]2[NH2+]CC3)ccc1F	ZINC000877396544	993269723	/nfs/dbraw/zinc/26/97/23/993269723.db2.gz	ZBYGHILGLZRGDS-WBVHZDCISA-N	1	0	367.446	1.304	20	30		FDEDRO
CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCO[C@H]1c1nccn1C)C2	ZINC001095558996	993483359	/nfs/dbraw/zinc/48/33/59/993483359.db2.gz	BSEIHNDIKZFSPY-DFBDCSAJSA-N	1	0	356.470	1.633	20	30		FDEDRO
CNS(=O)(=O)c1ccc(CC[NH2+]Cc2cc(C#N)cnc2Cl)cc1	ZINC000877735303	993489107	/nfs/dbraw/zinc/48/91/07/993489107.db2.gz	PGJDGFKBJZODEA-UHFFFAOYSA-N	1	0	364.858	1.847	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)cc1	ZINC000468244843	993502294	/nfs/dbraw/zinc/50/22/94/993502294.db2.gz	LGAJYWJUOXQECX-CQSZACIVSA-N	1	0	373.457	1.343	20	30		FDEDRO
C[NH+]1CCC(NC(=O)CN2CCCN(c3ccccc3C#N)CC2)CC1	ZINC000877961112	993574510	/nfs/dbraw/zinc/57/45/10/993574510.db2.gz	KGKHRWHPDYWXTJ-UHFFFAOYSA-N	1	0	355.486	1.281	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC000968875901	1015791713	/nfs/dbraw/zinc/79/17/13/1015791713.db2.gz	VCSQOSSAOBJDPP-VDNDLQMASA-N	1	0	355.442	1.042	20	30		FDEDRO
C=CC[C@@H](C(=O)OC)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1	ZINC000878118098	993722879	/nfs/dbraw/zinc/72/28/79/993722879.db2.gz	FQVRNAWUAQYPGM-INIZCTEOSA-N	1	0	353.507	1.520	20	30		FDEDRO
CC(=O)[C@@](C#N)(CC[N@@H+](C)C[C@H](O)CN1CCOCC1)c1ccccc1	ZINC000878179823	993766855	/nfs/dbraw/zinc/76/68/55/993766855.db2.gz	QUABVUCVZAQZSR-PMACEKPBSA-N	1	0	359.470	1.052	20	30		FDEDRO
C[N@H+](CCNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)CCOCCO	ZINC000878820766	994259879	/nfs/dbraw/zinc/25/98/79/994259879.db2.gz	VKYYYPBEIUXXHA-UHFFFAOYSA-N	1	0	374.363	1.639	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2	ZINC001110886286	994488250	/nfs/dbraw/zinc/48/82/50/994488250.db2.gz	VALYLLCHKURKGY-VQHPVUNQSA-N	1	0	362.518	1.273	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CC[N@H+]1CCc2c(CC(N)=O)cccc2C1	ZINC000879231953	994677292	/nfs/dbraw/zinc/67/72/92/994677292.db2.gz	ZCDUUWPIQXYCDN-UHFFFAOYSA-N	1	0	362.433	1.973	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCCCCNC(=O)CC2)cc1	ZINC000879253306	994701001	/nfs/dbraw/zinc/70/10/01/994701001.db2.gz	RRWNKSXKWYBJDL-SFHVURJKSA-N	1	0	359.470	1.875	20	30		FDEDRO
COC(=O)C[C@@](C)([NH2+]CC#CCN1C(=O)c2ccccc2C1=O)C1CC1	ZINC000879444102	994917423	/nfs/dbraw/zinc/91/74/23/994917423.db2.gz	XPYQZXGPXYPHGV-HXUWFJFHSA-N	1	0	354.406	1.607	20	30		FDEDRO
COc1cccc([C@H]2CN(CC(=O)NCc3ccc(C#N)cc3)CC[NH2+]2)c1	ZINC000879525535	994978116	/nfs/dbraw/zinc/97/81/16/994978116.db2.gz	NJDDIYBYTZRNIA-HXUWFJFHSA-N	1	0	364.449	1.830	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)CC[C@@H]21	ZINC000879578748	995037476	/nfs/dbraw/zinc/03/74/76/995037476.db2.gz	VSGPSTYALPETQW-YJBOKZPZSA-N	1	0	364.453	1.708	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000879591157	995056849	/nfs/dbraw/zinc/05/68/49/995056849.db2.gz	KMTIYGIUQJSSGL-QGZVFWFLSA-N	1	0	361.534	1.429	20	30		FDEDRO
CN1CC[NH+](C2CCN(Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)CC1	ZINC000879591974	995060401	/nfs/dbraw/zinc/06/04/01/995060401.db2.gz	BQJIAQMWEIXNPT-UHFFFAOYSA-N	1	0	366.469	1.820	20	30		FDEDRO
CN1CC[NH+](C2CCN(Cc3nnc(-c4cccc(C#N)c4)o3)CC2)CC1	ZINC000879592515	995061547	/nfs/dbraw/zinc/06/15/47/995061547.db2.gz	JQPBRQLQAPVFPI-UHFFFAOYSA-N	1	0	366.469	1.820	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN(C(=O)NCc1ccc(OCC#N)cc1)CCO2	ZINC000826121787	995234600	/nfs/dbraw/zinc/23/46/00/995234600.db2.gz	QGBROYONJPJWGQ-UHFFFAOYSA-N	1	0	358.442	1.595	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)n1	ZINC000925164877	995354342	/nfs/dbraw/zinc/35/43/42/995354342.db2.gz	XJTWLPNFTNQFEU-IRXDYDNUSA-N	1	0	361.515	1.628	20	30		FDEDRO
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12	ZINC000925168682	995362614	/nfs/dbraw/zinc/36/26/14/995362614.db2.gz	XINQRJYPGWKBOK-BZSNNMDCSA-N	1	0	374.510	1.813	20	30		FDEDRO
C#CC[N@@H+](C)CCCN1C(=O)[C@H](c2cc(F)c(F)c(F)c2)N(C)C1=O	ZINC000925308500	995478158	/nfs/dbraw/zinc/47/81/58/995478158.db2.gz	QUEJZKMFIBHEPR-HNNXBMFYSA-N	1	0	353.344	1.994	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCc2c(nnn2C)C1)C(C)C	ZINC000654379725	1015953020	/nfs/dbraw/zinc/95/30/20/1015953020.db2.gz	JTSRIEQIQSPGAF-MAUKXSAKSA-N	1	0	360.506	1.670	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@]2(C)C1	ZINC000880028028	995564999	/nfs/dbraw/zinc/56/49/99/995564999.db2.gz	PNZFBDXKEDKPMH-CLCXKQKWSA-N	1	0	364.490	1.936	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)CN2CCC[C@H]([NH2+]C3CCOCC3)C2)cc1	ZINC000880212931	995724113	/nfs/dbraw/zinc/72/41/13/995724113.db2.gz	OGCIBIANMBROHX-OALUTQOASA-N	1	0	359.470	1.531	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CCN[C@@]2(c3ccccc3)C[C@@H](O)C2)cc1	ZINC000880225784	995738343	/nfs/dbraw/zinc/73/83/43/995738343.db2.gz	WRXXPVNYGMLEQF-IZAXUBKRSA-N	1	0	356.447	1.972	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)COc1cccc(C#N)c1)C2	ZINC000926183852	995965712	/nfs/dbraw/zinc/96/57/12/995965712.db2.gz	QEQLJZQYNMNBPW-IZBJGVDFSA-N	1	0	357.454	1.533	20	30		FDEDRO
CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)c(O)c3)C2)[C@H]1C(C)C	ZINC000926245561	995994151	/nfs/dbraw/zinc/99/41/51/995994151.db2.gz	XDYUQVHCLQZYGD-UIXUWTQFSA-N	1	0	357.454	1.863	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@@]3(C[N@@H+](CC)[C@H]3C(C)C)C[C@H]2O)CC1	ZINC000926255539	996001068	/nfs/dbraw/zinc/00/10/68/996001068.db2.gz	RRSSFIBBRAWHAZ-BNDYYXHWSA-N	1	0	361.530	1.318	20	30		FDEDRO
CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)COc3ccccc3C#N)C2)[C@H]1C(C)C	ZINC000926261614	996005671	/nfs/dbraw/zinc/00/56/71/996005671.db2.gz	DOCVMVKSSCFDCY-DEPWHIHDSA-N	1	0	371.481	1.923	20	30		FDEDRO
CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)Cc3ccc(C#N)nc3)C2)[C@H]1C(C)C	ZINC000926272317	996014681	/nfs/dbraw/zinc/01/46/81/996014681.db2.gz	WASXCIUMMXVNKI-HNBVOPMISA-N	1	0	356.470	1.482	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1	ZINC000926308269	996044781	/nfs/dbraw/zinc/04/47/81/996044781.db2.gz	MJNOMKITOMDYMB-GOSISDBHSA-N	1	0	371.481	1.558	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCc2ccccc2S(C)(=O)=O)CC1	ZINC000926333209	996065603	/nfs/dbraw/zinc/06/56/03/996065603.db2.gz	OQFFCIGWRSWLBY-UHFFFAOYSA-N	1	0	363.483	1.029	20	30		FDEDRO
C=C1CCC(CNC(=O)N2CCO[C@@H](CN3CC[NH+](C)CC3)C2)CC1	ZINC000926536588	996202413	/nfs/dbraw/zinc/20/24/13/996202413.db2.gz	ABBLQMKXNGACLP-SFHVURJKSA-N	1	0	350.507	1.391	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+][C@H]1CCNC1=O)C2	ZINC000965380818	1016017000	/nfs/dbraw/zinc/01/70/00/1016017000.db2.gz	MMFCOVNUUPNSOW-PZWKLGFKSA-N	1	0	361.486	1.263	20	30		FDEDRO
Cc1ccc(CNC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1C#N	ZINC000926854416	996342951	/nfs/dbraw/zinc/34/29/51/996342951.db2.gz	BBDSWQJARNXYSZ-LJQANCHMSA-N	1	0	355.486	1.788	20	30		FDEDRO
Cc1cc(NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)nn1CCC#N	ZINC000777612208	996365379	/nfs/dbraw/zinc/36/53/79/996365379.db2.gz	AUDGFQWCEADOCE-MRXNPFEDSA-N	1	0	360.462	1.870	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1	ZINC000887038427	996858995	/nfs/dbraw/zinc/85/89/95/996858995.db2.gz	RRDXCDBTXGQRLP-FQEVSTJZSA-N	1	0	373.428	1.768	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)Nc2cccc(C(=O)NC3CC3)c2)CCOCC1	ZINC000887123614	996954064	/nfs/dbraw/zinc/95/40/64/996954064.db2.gz	WOQRBHKWSNCFCU-UHFFFAOYSA-N	1	0	355.438	1.679	20	30		FDEDRO
C#CCC1([NH2+]C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CCOCC1	ZINC000887124488	996955247	/nfs/dbraw/zinc/95/52/47/996955247.db2.gz	GRBZJJQGKYGOMT-INIZCTEOSA-N	1	0	357.410	1.026	20	30		FDEDRO
C#CCN(CC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)C(=O)OC(C)(C)C	ZINC000826545151	997014443	/nfs/dbraw/zinc/01/44/43/997014443.db2.gz	XKIPHSVKDQCTEZ-MRXNPFEDSA-N	1	0	367.490	1.426	20	30		FDEDRO
C[NH+]=C(NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1)NC1CC1	ZINC000264040370	997387287	/nfs/dbraw/zinc/38/72/87/997387287.db2.gz	IKKHQZBGEZTEMD-INIZCTEOSA-N	1	0	362.474	1.405	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NC[C@H](C(C)C)N2CCOCC2)cc1OC	ZINC000264147213	997414351	/nfs/dbraw/zinc/41/43/51/997414351.db2.gz	YCSPKDUWWHBJLB-MRXNPFEDSA-N	1	0	364.490	1.465	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000264383917	997491664	/nfs/dbraw/zinc/49/16/64/997491664.db2.gz	DIKZQKSOIXIIAB-CVEARBPZSA-N	1	0	361.442	1.897	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(C#N)ccc2OC)CC1	ZINC000264455054	997515657	/nfs/dbraw/zinc/51/56/57/997515657.db2.gz	OTGMASAOAPUQHH-UHFFFAOYSA-N	1	0	356.426	1.662	20	30		FDEDRO
C#CCN(CC)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000264508051	997526202	/nfs/dbraw/zinc/52/62/02/997526202.db2.gz	DZRFOADJPLJKJQ-SFHVURJKSA-N	1	0	356.470	1.549	20	30		FDEDRO
CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCO[C@@](C)(C#N)C3)cc2)CC1	ZINC000887673244	997631247	/nfs/dbraw/zinc/63/12/47/997631247.db2.gz	RFXOABJMYJXLIF-FQEVSTJZSA-N	1	0	356.470	1.972	20	30		FDEDRO
Cc1cccc(N2CC[NH+](CCC(=O)N3CCO[C@](C)(C#N)C3)CC2)c1	ZINC000887677330	997639159	/nfs/dbraw/zinc/63/91/59/997639159.db2.gz	UVNIFIFWIIKJLE-HXUWFJFHSA-N	1	0	356.470	1.648	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccc(OCC#N)c2)C1	ZINC000265395952	997781301	/nfs/dbraw/zinc/78/13/01/997781301.db2.gz	QPTOAQFNRBQYMD-OAHLLOKOSA-N	1	0	358.442	1.764	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@H]2Cc3ccccc3O2)CC1	ZINC000104171118	998314054	/nfs/dbraw/zinc/31/40/54/998314054.db2.gz	YXDRQMKXTFOWGV-OAHLLOKOSA-N	1	0	360.458	1.858	20	30		FDEDRO
Cc1c(C(=O)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)cnn1CCC#N	ZINC000889649640	998501119	/nfs/dbraw/zinc/50/11/19/998501119.db2.gz	BZQVFYFYSRPAJG-INIZCTEOSA-N	1	0	367.457	1.893	20	30		FDEDRO
N#Cc1ccc(CSCC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cc1	ZINC000889773764	998640125	/nfs/dbraw/zinc/64/01/25/998640125.db2.gz	DKISSQAYBDMNER-ZWKOTPCHSA-N	1	0	359.495	1.849	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c(OC)c1	ZINC000889783546	998657154	/nfs/dbraw/zinc/65/71/54/998657154.db2.gz	YQMMKNVTDFQREU-ZWKOTPCHSA-N	1	0	374.481	1.860	20	30		FDEDRO
CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(CC#N)n1	ZINC000889938141	998735891	/nfs/dbraw/zinc/73/58/91/998735891.db2.gz	WIXWRDHUTMIRME-INIZCTEOSA-N	1	0	357.458	1.857	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)n1	ZINC000889952327	998743020	/nfs/dbraw/zinc/74/30/20/998743020.db2.gz	KNCOTKPZLQZTSI-MRXNPFEDSA-N	1	0	355.442	1.563	20	30		FDEDRO
CC#CCCNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000890166022	998856737	/nfs/dbraw/zinc/85/67/37/998856737.db2.gz	VLJDYLUUKDQYBY-GOSISDBHSA-N	1	0	354.454	1.439	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccnc(OC)n1	ZINC001110863249	999072120	/nfs/dbraw/zinc/07/21/20/999072120.db2.gz	BEYOAUBUBKIKQR-PDOICOKGSA-N	1	0	374.485	1.936	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)cc(C)[nH]c1=O)C2	ZINC001110872074	999091008	/nfs/dbraw/zinc/09/10/08/999091008.db2.gz	ILEPZKPMWOGQDD-KFWWJZLASA-N	1	0	358.442	1.041	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]nc1C)C2	ZINC001110877480	999099762	/nfs/dbraw/zinc/09/97/62/999099762.db2.gz	TWEXGKHQCXEDHB-IDCNUPLLSA-N	1	0	373.501	1.866	20	30		FDEDRO
[NH2+]=C(NC[C@H](O)CN1CCOCC1)Nc1cccc(Oc2ccccc2)c1	ZINC000266994376	999285248	/nfs/dbraw/zinc/28/52/48/999285248.db2.gz	WWFBPJHNCYJCQH-KRWDZBQOSA-N	1	0	370.453	1.899	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(N2CCNC2=O)c1	ZINC000267046057	999292152	/nfs/dbraw/zinc/29/21/52/999292152.db2.gz	IRQHFTHUZQPVTK-UHFFFAOYSA-N	1	0	358.446	1.915	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NC[C@H](O)c2cc(OC)cc(OC)c2)cc1	ZINC000267437496	999335428	/nfs/dbraw/zinc/33/54/28/999335428.db2.gz	OBSSCRHIKXABLK-IBGZPJMESA-N	1	0	373.453	1.893	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2cn3c(cccc3C)n2)CC1	ZINC000267460003	999341835	/nfs/dbraw/zinc/34/18/35/999341835.db2.gz	UTOGZARORCXFLC-UHFFFAOYSA-N	1	0	358.446	1.668	20	30		FDEDRO
CN(CC[N@H+](C)C1CCN(C)CC1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000267480793	999346315	/nfs/dbraw/zinc/34/63/15/999346315.db2.gz	SJTOYAZBVYFKAL-HXUWFJFHSA-N	1	0	369.513	1.621	20	30		FDEDRO
COCCOCCN(CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1	ZINC000268258704	999435215	/nfs/dbraw/zinc/43/52/15/999435215.db2.gz	DMXRTDHTXGIWMR-FQEVSTJZSA-N	1	0	359.470	1.960	20	30		FDEDRO
COC(=O)C1CC[NH+](CCCNC(=O)C#Cc2ccc3c(c2)OCO3)CC1	ZINC000268579490	999443876	/nfs/dbraw/zinc/44/38/76/999443876.db2.gz	RRQMWHHLPHYPHZ-UHFFFAOYSA-N	1	0	372.421	1.158	20	30		FDEDRO
N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CC[C@H](C[NH+]3CCCC3)C1)CC2	ZINC000270126410	999515461	/nfs/dbraw/zinc/51/54/61/999515461.db2.gz	ANICPTJJOGENIK-MRXNPFEDSA-N	1	0	352.438	1.392	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000270129417	999515966	/nfs/dbraw/zinc/51/59/66/999515966.db2.gz	BCNQSNNNVFJACT-LSDHHAIUSA-N	1	0	354.454	1.684	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCc2n[nH]cc2C1	ZINC000270196083	999524350	/nfs/dbraw/zinc/52/43/50/999524350.db2.gz	IQOMUPNPVYLPKJ-QGZVFWFLSA-N	1	0	351.454	1.977	20	30		FDEDRO
Cn1cc([N+](=O)[O-])c(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)n1	ZINC000270763367	999610717	/nfs/dbraw/zinc/61/07/17/999610717.db2.gz	NJGYVYIDNHVRHP-UHFFFAOYSA-N	1	0	368.397	1.548	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)nn1CCC#N	ZINC000271103068	999661540	/nfs/dbraw/zinc/66/15/40/999661540.db2.gz	YXMJHQRSBRJOOF-OAHLLOKOSA-N	1	0	358.446	1.131	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)CC1	ZINC000271686767	999725063	/nfs/dbraw/zinc/72/50/63/999725063.db2.gz	QMAXJDBZZGLPAF-LPHOPBHVSA-N	1	0	353.470	1.901	20	30		FDEDRO
COC(=O)COc1ccc([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)cc1	ZINC000274425434	999739055	/nfs/dbraw/zinc/73/90/55/999739055.db2.gz	FSQRCORPCDQJJE-ORAYPTAESA-N	1	0	359.426	1.697	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCc3ccccc3C2)CC1	ZINC000284168902	999778490	/nfs/dbraw/zinc/77/84/90/999778490.db2.gz	YZVJHZHUZAJGLL-IBGZPJMESA-N	1	0	355.482	1.817	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(COCC)cc2)CC1	ZINC000284485391	999841872	/nfs/dbraw/zinc/84/18/72/999841872.db2.gz	HRCASFSISRSLKV-UHFFFAOYSA-N	1	0	373.497	1.996	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000285086369	999901390	/nfs/dbraw/zinc/90/13/90/999901390.db2.gz	URWOUFHRFVKQCT-UHFFFAOYSA-N	1	0	372.513	1.475	20	30		FDEDRO
COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)cc1C#N	ZINC000285545851	999915105	/nfs/dbraw/zinc/91/51/05/999915105.db2.gz	QJSDLBQXWOHISQ-AYHJJNSGSA-N	1	0	356.470	1.740	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)c2c(C)noc2C)CC1	ZINC000286397223	999944291	/nfs/dbraw/zinc/94/42/91/999944291.db2.gz	DOJLALMRJHERHQ-ZDUSSCGKSA-N	1	0	362.474	1.668	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1	ZINC000286483224	999944811	/nfs/dbraw/zinc/94/48/11/999944811.db2.gz	VDJSNPGELQBIFC-UHFFFAOYSA-N	1	0	359.470	1.858	20	30		FDEDRO
N#CCCCCNC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000286726468	999947346	/nfs/dbraw/zinc/94/73/46/999947346.db2.gz	MCEUCPHWXXVNFI-HDICACEKSA-N	1	0	354.454	1.387	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2cccnc2OCCC)CC1	ZINC000286747601	999948738	/nfs/dbraw/zinc/94/87/38/999948738.db2.gz	JLWLQQAJZFLVGF-UHFFFAOYSA-N	1	0	374.485	1.643	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(CCCOC)Cc2ccncc2)CC1	ZINC000286866356	999952955	/nfs/dbraw/zinc/95/29/55/999952955.db2.gz	ZXWHZXSXIRBBES-UHFFFAOYSA-N	1	0	374.485	1.213	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCc2noc3c2CCCC3)CC1	ZINC000286960925	999953698	/nfs/dbraw/zinc/95/36/98/999953698.db2.gz	BJLTVBXUPSBKCJ-UHFFFAOYSA-N	1	0	363.462	1.921	20	30		FDEDRO
C#CC[C@@H](Cc1ccccc1)NC(=O)NC1CCN(CC[NH+](C)C)CC1	ZINC000287050241	999954425	/nfs/dbraw/zinc/95/44/25/999954425.db2.gz	KEERSDFWHUUQSN-FQEVSTJZSA-N	1	0	356.514	1.946	20	30		FDEDRO
C#CC[C@H](Cc1ccccc1)NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	ZINC000287244301	999955846	/nfs/dbraw/zinc/95/58/46/999955846.db2.gz	QIETYKOPRUEDJG-LJQANCHMSA-N	1	0	356.514	1.946	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1	ZINC000287372661	999956981	/nfs/dbraw/zinc/95/69/81/999956981.db2.gz	OCLDSBJLDNZZRS-OAHLLOKOSA-N	1	0	357.454	1.634	20	30		FDEDRO
C[C@H]1[C@@H](NC(=O)NCCn2cnc(C#N)n2)CC[N@@H+]1Cc1ccccc1	ZINC000287986656	999979337	/nfs/dbraw/zinc/97/93/37/999979337.db2.gz	WVHQGCIVOMULPD-HOCLYGCPSA-N	1	0	353.430	1.112	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C	ZINC000288050044	999986213	/nfs/dbraw/zinc/98/62/13/999986213.db2.gz	RXDDGSYHEBWDIH-QGZVFWFLSA-N	1	0	362.474	1.678	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1	ZINC000288162289	999992375	/nfs/dbraw/zinc/99/23/75/999992375.db2.gz	PIPQALPLPYMNPQ-GOSISDBHSA-N	1	0	373.497	1.818	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C	ZINC000288240354	1000000130	/nfs/dbraw/zinc/00/01/30/1000000130.db2.gz	SDEKHTBYZRUJQB-WBVHZDCISA-N	1	0	355.438	1.722	20	30		FDEDRO
C[NH+]1CCN(CCCNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000288301021	1000005952	/nfs/dbraw/zinc/00/59/52/1000005952.db2.gz	LOHOMOPUFOIKAD-KRWDZBQOSA-N	1	0	373.476	1.277	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1	ZINC000288884187	1000056034	/nfs/dbraw/zinc/05/60/34/1000056034.db2.gz	HZHPMRRWYAACKK-DOTOQJQBSA-N	1	0	371.481	1.951	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCCNC2=O)cc1	ZINC000291137968	1000170939	/nfs/dbraw/zinc/17/09/39/1000170939.db2.gz	CMBDMEROEIPBOY-ZIAGYGMSSA-N	1	0	373.457	1.657	20	30		FDEDRO
C=C[C@@H](CO)NC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1	ZINC000291146859	1000171456	/nfs/dbraw/zinc/17/14/56/1000171456.db2.gz	DTURSGROLAOSAR-IBGZPJMESA-N	1	0	360.502	1.431	20	30		FDEDRO
C[C@@H](NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)C1=CC[N@H+](C)CC1	ZINC000292386253	1000236015	/nfs/dbraw/zinc/23/60/15/1000236015.db2.gz	RXACKUWAFUJVAK-RHSMWYFYSA-N	1	0	355.442	1.766	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292537418	1000241336	/nfs/dbraw/zinc/24/13/36/1000241336.db2.gz	JEWUFUSTEUGRJF-COXVUDFISA-N	1	0	355.442	1.599	20	30		FDEDRO
COC(=O)C1(C#N)CCN(C(=O)NC2CCC(C)([NH+]3CCC3)CC2)CC1	ZINC000927298874	1000756072	/nfs/dbraw/zinc/75/60/72/1000756072.db2.gz	BXDQZOWTAVMBRW-UHFFFAOYSA-N	1	0	362.474	1.882	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCO[C@H]3CCOC3)CC2)cc1	ZINC000927515503	1000881100	/nfs/dbraw/zinc/88/11/00/1000881100.db2.gz	VFTHSBASMFGVMJ-IBGZPJMESA-N	1	0	372.469	1.581	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNS(=O)(=O)CC	ZINC001110925390	1000882663	/nfs/dbraw/zinc/88/26/63/1000882663.db2.gz	XUOYGPQLJYYQAU-ZACQAIPSSA-N	1	0	369.531	1.231	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])[C@@H](CC)C3)cc21	ZINC000927796844	1001054793	/nfs/dbraw/zinc/05/47/93/1001054793.db2.gz	FSHLFKURGFFAGV-XJKSGUPXSA-N	1	0	355.442	1.747	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])[C@H](CC)C3)cc21	ZINC000927796843	1001054870	/nfs/dbraw/zinc/05/48/70/1001054870.db2.gz	FSHLFKURGFFAGV-CZUORRHYSA-N	1	0	355.442	1.747	20	30		FDEDRO
N#CCCc1ccc(NC(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1	ZINC000927801759	1001061461	/nfs/dbraw/zinc/06/14/61/1001061461.db2.gz	YSSRRFZOMBNZHT-KRWDZBQOSA-N	1	0	354.454	1.929	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1F	ZINC000927847278	1001111707	/nfs/dbraw/zinc/11/17/07/1001111707.db2.gz	UUCKTPWIVZPTLY-JQWIXIFHSA-N	1	0	358.295	1.374	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cc1	ZINC000927849774	1001116742	/nfs/dbraw/zinc/11/67/42/1001116742.db2.gz	WFSYJTJUZVAPDO-UONOGXRCSA-N	1	0	369.343	1.375	20	30		FDEDRO
N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1	ZINC000927849525	1001116773	/nfs/dbraw/zinc/11/67/73/1001116773.db2.gz	TWOQVHFNWNZIEI-MWLCHTKSSA-N	1	0	374.750	1.888	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(NC(=O)[C@]34C[C@H]3CCC4)CC2)CC1	ZINC000947041258	1001428573	/nfs/dbraw/zinc/42/85/73/1001428573.db2.gz	HRHVVERQZZEQJY-DYESRHJHSA-N	1	0	357.498	1.629	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2nnn(Cc3ccc(OC)cc3)c2C)CC1	ZINC000928649223	1001607174	/nfs/dbraw/zinc/60/71/74/1001607174.db2.gz	HOIJCQJVXPWXHK-UHFFFAOYSA-N	1	0	367.453	1.471	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C)CC1	ZINC000928654984	1001611124	/nfs/dbraw/zinc/61/11/24/1001611124.db2.gz	OYYMDICVGVPMRD-ZDUSSCGKSA-N	1	0	359.417	1.749	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CCC(=O)Nc2nnc(C(C)C)s2)CC1	ZINC000928655916	1001611917	/nfs/dbraw/zinc/61/19/17/1001611917.db2.gz	DBDPJEUMBVCTKL-UHFFFAOYSA-N	1	0	363.487	1.594	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CN2C(=S)N=NC2c2cccc(C)c2)CC1	ZINC000928657143	1001612635	/nfs/dbraw/zinc/61/26/35/1001612635.db2.gz	PAXJUZBNDQSJHP-UHFFFAOYSA-N	1	0	369.494	1.756	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CCc2c(C)c3c(C)nn(C)c3[nH]c2=O)CC1	ZINC000928656746	1001612756	/nfs/dbraw/zinc/61/27/56/1001612756.db2.gz	GEACJUBVLJVEMQ-UHFFFAOYSA-N	1	0	369.469	1.025	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C[C@@H](NC(C)=O)c2c(F)cccc2F)CC1	ZINC000928658335	1001613993	/nfs/dbraw/zinc/61/39/93/1001613993.db2.gz	QGFBUGUXHGAYLR-QGZVFWFLSA-N	1	0	363.408	1.746	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1	ZINC000928659019	1001614524	/nfs/dbraw/zinc/61/45/24/1001614524.db2.gz	BUTSHLABZSVIFD-UHFFFAOYSA-N	1	0	356.394	1.510	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)CC1	ZINC000928659229	1001614731	/nfs/dbraw/zinc/61/47/31/1001614731.db2.gz	ISLJYHMGVSFHRZ-MRXNPFEDSA-N	1	0	359.495	1.957	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cc(NC(=O)OC(C)(C)C)n(C)n2)CC1	ZINC000928660089	1001615326	/nfs/dbraw/zinc/61/53/26/1001615326.db2.gz	HJAJKKYXVYIZJQ-UHFFFAOYSA-N	1	0	361.446	1.595	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](CC#N)C(F)(F)F)CC1=O	ZINC000928808924	1001673312	/nfs/dbraw/zinc/67/33/12/1001673312.db2.gz	KGCCFESVDBFIFB-XQQFMLRXSA-N	1	0	360.380	1.280	20	30		FDEDRO
C#CCN(C(=O)C(=O)NC[C@H](OC)c1ccccc1)C1CC[NH+](C)CC1	ZINC000929308568	1001920862	/nfs/dbraw/zinc/92/08/62/1001920862.db2.gz	MWEZFLVLXXBJFA-SFHVURJKSA-N	1	0	357.454	1.046	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1ccc([C@H]2C[C@H]2C)o1)C1CC[NH+](C)CC1	ZINC000929379803	1001982338	/nfs/dbraw/zinc/98/23/38/1001982338.db2.gz	HMQUOWYSDTWMIR-PBHICJAKSA-N	1	0	357.454	1.575	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1C#N	ZINC000929465016	1002083919	/nfs/dbraw/zinc/08/39/19/1002083919.db2.gz	KWHXEEUONABZIH-GOSISDBHSA-N	1	0	360.483	1.036	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1	ZINC000948102559	1002098433	/nfs/dbraw/zinc/09/84/33/1002098433.db2.gz	OSBRGMIETJDWFM-LZQZEXGQSA-N	1	0	368.481	1.599	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)C1	ZINC000948205375	1002176315	/nfs/dbraw/zinc/17/63/15/1002176315.db2.gz	SVCMNJIAHZCUGX-UWWQBHOKSA-N	1	0	371.485	1.441	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1	ZINC000929542898	1002186797	/nfs/dbraw/zinc/18/67/97/1002186797.db2.gz	IPOYURMOVZZMBL-IBGZPJMESA-N	1	0	374.460	1.645	20	30		FDEDRO
COc1cc(C#N)ccc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1	ZINC000929683503	1002340244	/nfs/dbraw/zinc/34/02/44/1002340244.db2.gz	SKSXENPHLUHZNP-UHFFFAOYSA-N	1	0	365.437	1.644	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2	ZINC001111275381	1002397430	/nfs/dbraw/zinc/39/74/30/1002397430.db2.gz	UNOMVFWOWPPQEE-MKXGPGLRSA-N	1	0	374.529	1.250	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1	ZINC000948582120	1002472063	/nfs/dbraw/zinc/47/20/63/1002472063.db2.gz	SDJCUEVROYDNNB-SJKOYZFVSA-N	1	0	362.393	1.425	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cc1	ZINC000929878756	1002548786	/nfs/dbraw/zinc/54/87/86/1002548786.db2.gz	WGFIJPHTNGLWKB-MRXNPFEDSA-N	1	0	363.483	1.258	20	30		FDEDRO
CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000948778786	1002668786	/nfs/dbraw/zinc/66/87/86/1002668786.db2.gz	DGYVVEVFKIVKHK-KURKYZTESA-N	1	0	354.454	1.493	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCC[C@H]2OCCc3ccccc32)CC1	ZINC000930006428	1002728203	/nfs/dbraw/zinc/72/82/03/1002728203.db2.gz	GCMZMACFHYFITL-LJQANCHMSA-N	1	0	371.481	1.573	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2ccc3c(c2)CCO3)CC1	ZINC000930007802	1002730904	/nfs/dbraw/zinc/73/09/04/1002730904.db2.gz	YOIGEVUKPRGLEQ-CQSZACIVSA-N	1	0	357.454	1.565	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2c2ccnn2C)CC1	ZINC000930010335	1002734433	/nfs/dbraw/zinc/73/44/33/1002734433.db2.gz	QHKMTQXDYXJQBR-QGZVFWFLSA-N	1	0	359.474	1.240	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1	ZINC000948960771	1002878031	/nfs/dbraw/zinc/87/80/31/1002878031.db2.gz	HBDVVWJVYQDYEU-KSZLIROESA-N	1	0	363.502	1.274	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1	ZINC000948960775	1002878080	/nfs/dbraw/zinc/87/80/80/1002878080.db2.gz	HBDVVWJVYQDYEU-KURKYZTESA-N	1	0	363.502	1.274	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCNC(C)=O	ZINC001110984329	1002966945	/nfs/dbraw/zinc/96/69/45/1002966945.db2.gz	DHQPNYIJFWTSCW-VXIBKDFQSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[C@@H](C)CC(=O)N1)CCO2	ZINC000949098786	1002987930	/nfs/dbraw/zinc/98/79/30/1002987930.db2.gz	DYPDDFISJHNJGJ-IAGOWNOFSA-N	1	0	363.502	1.561	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1	ZINC000930316135	1003019862	/nfs/dbraw/zinc/01/98/62/1003019862.db2.gz	UPHGXMZZDBWYEN-UHFFFAOYSA-N	1	0	358.442	1.282	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(CC[NH+](C[C@H](CC)OC)CC2)C1	ZINC000949194368	1003082651	/nfs/dbraw/zinc/08/26/51/1003082651.db2.gz	SENRUEQTSVEONU-KSZLIROESA-N	1	0	366.502	1.696	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC2CCN(C(=O)[C@]34C[C@H]3CCC4)CC2)CC1	ZINC000949257000	1003148824	/nfs/dbraw/zinc/14/88/24/1003148824.db2.gz	IATZHXATMPCOOD-DENIHFKCSA-N	1	0	371.525	1.877	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC1)C[N@H+]([C@@H](C)COC)CCO2	ZINC000949369850	1003266359	/nfs/dbraw/zinc/26/63/59/1003266359.db2.gz	GCQQHACVUAGCCY-KSZLIROESA-N	1	0	366.502	1.696	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC1)C[N@H+](C[C@H](C)OC)CCO2	ZINC000949370451	1003267961	/nfs/dbraw/zinc/26/79/61/1003267961.db2.gz	SLXYXFWSNBCENG-KSZLIROESA-N	1	0	366.502	1.696	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H](CC)c1c(C)noc1C)C1CC[NH+](C)CC1	ZINC000930596629	1003310145	/nfs/dbraw/zinc/31/01/45/1003310145.db2.gz	CUJJOTULLUHXEK-MRXNPFEDSA-N	1	0	360.458	1.415	20	30		FDEDRO
C#CCN(C(=O)C(=O)NC[C@H]1CCCC(F)(F)C1)C1CC[NH+](C)CC1	ZINC000930677985	1003389040	/nfs/dbraw/zinc/38/90/40/1003389040.db2.gz	ZVRRTXRYTUINHN-AWEZNQCLSA-N	1	0	355.429	1.484	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2ccnc2C)C1	ZINC000949503070	1003413712	/nfs/dbraw/zinc/41/37/12/1003413712.db2.gz	JSSBQVLRJMIHOY-DZUCGIPZSA-N	1	0	360.458	1.136	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CCc1ccc(S(C)(=O)=O)cc1	ZINC000930704480	1003416842	/nfs/dbraw/zinc/41/68/42/1003416842.db2.gz	BOVCWEPJJBJXNL-UHFFFAOYSA-N	1	0	365.499	1.717	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1	ZINC000949506099	1003417796	/nfs/dbraw/zinc/41/77/96/1003417796.db2.gz	CFIXHKKVEXCHQU-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NC1CCC(C)([NH+]2CCC2)CC1	ZINC000930767795	1003484487	/nfs/dbraw/zinc/48/44/87/1003484487.db2.gz	BZUHDWAPBWCLFL-NZEHOUKNSA-N	1	0	363.502	1.607	20	30		FDEDRO
N#CC[C@@]1(O)CC[N@H+](C[C@]2(O)CCCN(C(=O)OCc3ccccc3)C2)C1	ZINC000930819446	1003545562	/nfs/dbraw/zinc/54/55/62/1003545562.db2.gz	WHRNQMAHDCENQE-WOJBJXKFSA-N	1	0	373.453	1.501	20	30		FDEDRO
C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O	ZINC000930910711	1003654788	/nfs/dbraw/zinc/65/47/88/1003654788.db2.gz	HJZILTXRWDDEPZ-RBSFLKMASA-N	1	0	353.422	1.260	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1	ZINC000949835358	1003738281	/nfs/dbraw/zinc/73/82/81/1003738281.db2.gz	IOHACFBHXWOMNI-XYPHTWIQSA-N	1	0	357.458	1.337	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C3CCC3)C2)CC1	ZINC000949864720	1003757806	/nfs/dbraw/zinc/75/78/06/1003757806.db2.gz	CHBKJDBPRGGMMO-JTDSTZFVSA-N	1	0	359.514	1.731	20	30		FDEDRO
CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1CC1CCC(C#N)CC1	ZINC000931088884	1003868083	/nfs/dbraw/zinc/86/80/83/1003868083.db2.gz	ORFOWXWDKSSIIP-LADRWXRNSA-N	1	0	367.490	1.904	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C	ZINC000931279728	1004021138	/nfs/dbraw/zinc/02/11/38/1004021138.db2.gz	PLAJWDAXLYKUIO-JEWRLFTDSA-N	1	0	356.470	1.822	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N1CCC([N@@H+]2CCCOCC2)CC1	ZINC000931285780	1004027199	/nfs/dbraw/zinc/02/71/99/1004027199.db2.gz	DDMRTMNKTMDKEH-IBGZPJMESA-N	1	0	357.454	1.959	20	30		FDEDRO
C[NH+]1C[C@]2(C)CN(CC#CCN3C(=O)c4ccccc4C3=O)C[C@@]2(C)C1	ZINC000931315958	1004050204	/nfs/dbraw/zinc/05/02/04/1004050204.db2.gz	DXGIHGRXXPAKJW-NHCUHLMSSA-N	1	0	351.450	1.560	20	30		FDEDRO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC(O)(C[NH+](C)C)CC1	ZINC000931483686	1004200539	/nfs/dbraw/zinc/20/05/39/1004200539.db2.gz	GKSLWELPGKMPJJ-TVRKMHQQSA-N	1	0	364.534	1.694	20	30		FDEDRO
COc1cc(C#N)ccc1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C	ZINC000931515923	1004232844	/nfs/dbraw/zinc/23/28/44/1004232844.db2.gz	NDCDTSQWJFGLJL-MRXNPFEDSA-N	1	0	358.442	1.239	20	30		FDEDRO
COc1ccccc1C[C@@](C)(CO)[NH2+]C[C@@H](O)COc1ccccc1C#N	ZINC000931601011	1004304551	/nfs/dbraw/zinc/30/45/51/1004304551.db2.gz	KPNKDSSYYDCAPM-NQIIRXRSSA-N	1	0	370.449	1.890	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1	ZINC000931614081	1004320977	/nfs/dbraw/zinc/32/09/77/1004320977.db2.gz	YEUSGSALGRZULY-UHFFFAOYSA-N	1	0	356.426	1.614	20	30		FDEDRO
C#CCC1([NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCOCC1	ZINC000931760621	1004476750	/nfs/dbraw/zinc/47/67/50/1004476750.db2.gz	LKBLJJUTMUKLSE-HNNXBMFYSA-N	1	0	372.531	1.150	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[N@@H+]1C[C@@H]2COC[C@]2(c2ccccc2)C1	ZINC000931905278	1004596959	/nfs/dbraw/zinc/59/69/59/1004596959.db2.gz	OMDSSVQDQBJUQG-QUCCMNQESA-N	1	0	352.438	1.542	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1	ZINC000931963028	1004647652	/nfs/dbraw/zinc/64/76/52/1004647652.db2.gz	OXWLHZRUKILGMK-ZIAGYGMSSA-N	1	0	368.478	1.481	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC([C@@]2(C)COC(=O)N2)CC1	ZINC000932089850	1004764190	/nfs/dbraw/zinc/76/41/90/1004764190.db2.gz	MQEUNWVYUZVVIM-RDTXWAMCSA-N	1	0	362.474	1.928	20	30		FDEDRO
COc1ccc(N2CC[NH+](C[C@H](O)CN3CCC[C@@H](C#N)C3)CC2)cc1	ZINC000932153673	1004797746	/nfs/dbraw/zinc/79/77/46/1004797746.db2.gz	QKXVRIGFPUSELX-HKUYNNGSSA-N	1	0	358.486	1.414	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)c2ccc3c(c2)[nH]c(=O)n3CC2CC2)CC1	ZINC000932178884	1004811146	/nfs/dbraw/zinc/81/11/46/1004811146.db2.gz	UPDJJLMPJNMPSK-UHFFFAOYSA-N	1	0	353.426	1.870	20	30		FDEDRO
C=CC1(CC(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CN(C(=O)OC(C)(C)C)C1	ZINC000932264345	1004858588	/nfs/dbraw/zinc/85/85/88/1004858588.db2.gz	WYGAOOPJMQMERH-OAHLLOKOSA-N	1	0	367.490	1.637	20	30		FDEDRO
CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1	ZINC000932438461	1004958604	/nfs/dbraw/zinc/95/86/04/1004958604.db2.gz	XGUKZDAARDXGNS-WMZOPIPTSA-N	1	0	359.470	1.871	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2cnc(OC)c(C#N)c2)CC1	ZINC000932510359	1004993667	/nfs/dbraw/zinc/99/36/67/1004993667.db2.gz	RFUHMTYFFUXUOD-CQSZACIVSA-N	1	0	360.462	1.357	20	30		FDEDRO
COc1ncc(NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cc1C#N	ZINC000932514831	1004996919	/nfs/dbraw/zinc/99/69/19/1004996919.db2.gz	WEGFFPQCWDPVFN-UHFFFAOYSA-N	1	0	360.462	1.499	20	30		FDEDRO
CN(C(=O)C1(C#N)CCSCC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000932577279	1005020519	/nfs/dbraw/zinc/02/05/19/1005020519.db2.gz	JTJVMLFBQMWFBT-INIZCTEOSA-N	1	0	350.532	1.650	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](CCNC(=O)OC(C)(C)C)C1	ZINC000932704755	1005111695	/nfs/dbraw/zinc/11/16/95/1005111695.db2.gz	XGAJFVCCHNVWJY-HUUCEWRRSA-N	1	0	352.479	1.984	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H](CCNC(=O)OC(C)(C)C)C1	ZINC000932704753	1005111901	/nfs/dbraw/zinc/11/19/01/1005111901.db2.gz	XGAJFVCCHNVWJY-CABCVRRESA-N	1	0	352.479	1.984	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1	ZINC000932721583	1005124952	/nfs/dbraw/zinc/12/49/52/1005124952.db2.gz	OSOXZPAJTSPGKV-MGPQQGTHSA-N	1	0	368.478	1.479	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2cn[nH]n2)C3)c1	ZINC001111040510	1005162746	/nfs/dbraw/zinc/16/27/46/1005162746.db2.gz	ORRWXDFEHPNHSK-KURKYZTESA-N	1	0	350.426	1.531	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)c1cccnc1)C2	ZINC001111051480	1005523617	/nfs/dbraw/zinc/52/36/17/1005523617.db2.gz	LGRKAMMVRYHNHN-HPBDAGMYSA-N	1	0	356.470	1.888	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)NCc2ccccc2CN2CCOCC2)CCC1	ZINC000933302937	1005535412	/nfs/dbraw/zinc/53/54/12/1005535412.db2.gz	KSJKJIRUBJOGEG-UHFFFAOYSA-N	1	0	355.482	1.671	20	30		FDEDRO
COc1ccc(C[C@@](C)(CO)[NH2+]C[C@@H](O)COc2ccccc2C#N)cc1	ZINC000933427210	1005555993	/nfs/dbraw/zinc/55/59/93/1005555993.db2.gz	DIZMPTSMFHFQNU-NQIIRXRSSA-N	1	0	370.449	1.890	20	30		FDEDRO
CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH+]1CCC2(CC1)CC(=O)C=CO2	ZINC000933645984	1005597881	/nfs/dbraw/zinc/59/78/81/1005597881.db2.gz	ADYQZWHFPYUPRB-QGZVFWFLSA-N	1	0	354.447	1.600	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN(C)Cc2cc(C#N)cs2)C1	ZINC000933777596	1005633935	/nfs/dbraw/zinc/63/39/35/1005633935.db2.gz	CQNOULIQRUADGZ-INIZCTEOSA-N	1	0	364.515	1.525	20	30		FDEDRO
COC(=O)C1([C@]2(O)CCC[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)CCC1	ZINC000933841268	1005646188	/nfs/dbraw/zinc/64/61/88/1005646188.db2.gz	QOVOFPRPNFCWPJ-XLIONFOSSA-N	1	0	358.438	1.762	20	30		FDEDRO
COc1ccc(C[N@H+](CCCO)C[C@H](O)CC2(C#N)CCOCC2)cc1	ZINC000934501222	1005753761	/nfs/dbraw/zinc/75/37/61/1005753761.db2.gz	FNWKYVFFVABCFW-GOSISDBHSA-N	1	0	362.470	1.951	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N	ZINC000935379084	1005901830	/nfs/dbraw/zinc/90/18/30/1005901830.db2.gz	IVTHPLFRISLGPA-RRFJBIMHSA-N	1	0	350.463	1.734	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCOC)cc1	ZINC001111112601	1006231366	/nfs/dbraw/zinc/23/13/66/1006231366.db2.gz	VVNDUPYYNZOTMM-RLLQIKCJSA-N	1	0	372.465	1.697	20	30		FDEDRO
C[C@@H](CC#N)N(C)CN1C(=O)N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O	ZINC000246066847	1006381464	/nfs/dbraw/zinc/38/14/64/1006381464.db2.gz	BCSAQMNCVRCBLV-OXJNMPFZSA-N	1	0	369.469	1.764	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CCN(c3cc(C)ncc3C#N)C2)CC[N@@H+]1C	ZINC001111141532	1006412699	/nfs/dbraw/zinc/41/26/99/1006412699.db2.gz	CDFGKRRPCXJOBE-QKLQHJQFSA-N	1	0	371.485	1.049	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn3nc(C)cc3[nH]c1=O)C2	ZINC001111142622	1006426568	/nfs/dbraw/zinc/42/65/68/1006426568.db2.gz	NZPXZYTUTNWCPT-BMFZPTHFSA-N	1	0	355.442	1.632	20	30		FDEDRO
C[NH+]=C(N[C@@H]1C[C@H]1C1CCCCC1)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000155834663	1006730897	/nfs/dbraw/zinc/73/08/97/1006730897.db2.gz	OKSQYEQIWRLCAC-DLBZAZTESA-N	1	0	358.490	1.613	20	30		FDEDRO
CC[NH+]=C(NCc1cccc(F)c1)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000155837111	1006731055	/nfs/dbraw/zinc/73/10/55/1006731055.db2.gz	FZMNKYREWSIASD-UHFFFAOYSA-N	1	0	358.421	1.374	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3ccncc3)c1)C2	ZINC001111188876	1006749753	/nfs/dbraw/zinc/74/97/53/1006749753.db2.gz	IZULMKHUECGGGL-QRVBRYPASA-N	1	0	367.453	1.805	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C(C)C)nn1C)C2	ZINC001111218816	1006935749	/nfs/dbraw/zinc/93/57/49/1006935749.db2.gz	SLHUDMNIZSJNKX-SRABZTEZSA-N	1	0	373.501	1.569	20	30		FDEDRO
C=CCC[C@H](O)Cn1cc(CN2CCC([NH2+]C3CCOCC3)CC2)nn1	ZINC000641212908	1007017844	/nfs/dbraw/zinc/01/78/44/1007017844.db2.gz	UFSFGYZAYFTWPK-IBGZPJMESA-N	1	0	363.506	1.338	20	30		FDEDRO
CN1C(=O)CC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#Cc1ccc(F)cc1	ZINC001095883949	1007610198	/nfs/dbraw/zinc/61/01/98/1007610198.db2.gz	KUBBIXKOMQSKEJ-XWSJACJDSA-N	1	0	369.440	1.520	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C	ZINC000957086137	1007682772	/nfs/dbraw/zinc/68/27/72/1007682772.db2.gz	SJVIQOCWYYJEAI-VQHPVUNQSA-N	1	0	361.486	1.027	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@@H](OC)C[C@@]2(C)CO)c(OC)c1	ZINC000640010386	1007710959	/nfs/dbraw/zinc/71/09/59/1007710959.db2.gz	STMHFUBRTBRHPO-UWVAXJGDSA-N	1	0	365.470	1.635	20	30		FDEDRO
C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1	ZINC000091282335	1007943278	/nfs/dbraw/zinc/94/32/78/1007943278.db2.gz	KXSJYTXJSCDSED-OAHLLOKOSA-N	1	0	371.485	1.679	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000957202478	1007990314	/nfs/dbraw/zinc/99/03/14/1007990314.db2.gz	IJTKOMVBGOUWTL-FUHIMQAGSA-N	1	0	368.437	1.646	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCCC[N@H+]3CC)C2)cn1	ZINC000957461071	1008311859	/nfs/dbraw/zinc/31/18/59/1008311859.db2.gz	YWJKVPAJQUPYQN-LZQZEXGQSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=CCN1CC[C@H](N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCC[NH+](C)C)C3)C1=O	ZINC001111298842	1008574390	/nfs/dbraw/zinc/57/43/90/1008574390.db2.gz	UENMTNWDVLSJJK-BDXSIMOUSA-N	1	0	362.518	1.227	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)nn1	ZINC000648843025	1008673641	/nfs/dbraw/zinc/67/36/41/1008673641.db2.gz	TZLHZRCWDJFWOI-IAGOWNOFSA-N	1	0	355.442	1.077	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1	ZINC000950047088	1008691308	/nfs/dbraw/zinc/69/13/08/1008691308.db2.gz	DWWNLEFQRDKTNN-SZVBFZGTSA-N	1	0	369.465	1.370	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)c1	ZINC000646486029	1008824171	/nfs/dbraw/zinc/82/41/71/1008824171.db2.gz	ZVYIJWJDCSWDBS-XJKSGUPXSA-N	1	0	351.472	1.316	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C[N@H+]1CCC(C)(C)C1	ZINC000950233111	1008917556	/nfs/dbraw/zinc/91/75/56/1008917556.db2.gz	SGNDOEUCGMBHGZ-BBWFWOEESA-N	1	0	363.502	1.417	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)cc1	ZINC000950255250	1008966412	/nfs/dbraw/zinc/96/64/12/1008966412.db2.gz	JAELAXSPJBWYMA-CEXWTWQISA-N	1	0	353.466	1.729	20	30		FDEDRO
C=CCN1CC[C@H](N2CC(N(CC)C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1=O	ZINC000950367895	1009081907	/nfs/dbraw/zinc/08/19/07/1009081907.db2.gz	QSJSFOULVFIRDR-KSZLIROESA-N	1	0	362.518	1.036	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2C)nc1	ZINC000950386205	1009113192	/nfs/dbraw/zinc/11/31/92/1009113192.db2.gz	KUXIHPWPJRKVGU-RDTXWAMCSA-N	1	0	354.454	1.124	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000950481322	1009220551	/nfs/dbraw/zinc/22/05/51/1009220551.db2.gz	AWMSNMSVMHCPFL-YQQAZPJKSA-N	1	0	357.458	1.337	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1	ZINC000646954923	1009333159	/nfs/dbraw/zinc/33/31/59/1009333159.db2.gz	FWAVFPHTKUMSNN-APWZRJJASA-N	1	0	371.481	1.748	20	30		FDEDRO
CNS(=O)(=O)Cc1ccc(CNC(=[NH+]Cc2ccccc2)N(C)C)cc1	ZINC000303776709	1009575826	/nfs/dbraw/zinc/57/58/26/1009575826.db2.gz	IAOPQHWMGREHRZ-UHFFFAOYSA-N	1	0	374.510	1.943	20	30		FDEDRO
N#Cc1ccc(NC2CC[NH+](CCNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)cn1	ZINC001111322746	1009593448	/nfs/dbraw/zinc/59/34/48/1009593448.db2.gz	ZPXXRZDHKPXUQC-QRVBRYPASA-N	1	0	369.469	1.513	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C(C)(F)F)C2	ZINC001111325563	1009639917	/nfs/dbraw/zinc/63/99/17/1009639917.db2.gz	JMBCOYMDRDODNB-SYQHCUMBSA-N	1	0	355.429	1.527	20	30		FDEDRO
CNC(=O)c1ccc(CNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)cc1	ZINC000303885140	1009671657	/nfs/dbraw/zinc/67/16/57/1009671657.db2.gz	JMHNCRROPSCBLY-UHFFFAOYSA-N	1	0	369.444	1.822	20	30		FDEDRO
CC(=O)N1CCN(CCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)CC1	ZINC000303887378	1009673997	/nfs/dbraw/zinc/67/39/97/1009673997.db2.gz	KUVCEHBBCDCCAS-UHFFFAOYSA-N	1	0	373.379	1.476	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)c(OC)c1	ZINC000647624896	1009785414	/nfs/dbraw/zinc/78/54/14/1009785414.db2.gz	PYPYPMPAUVMVAP-HXUWFJFHSA-N	1	0	362.470	1.718	20	30		FDEDRO
CC(C)(C)OC(=O)N(CCNC(=[NH2+])NCCCN1CCOCC1)C1CC1	ZINC000303986954	1009793334	/nfs/dbraw/zinc/79/33/34/1009793334.db2.gz	VADHTVVNEMLKOJ-UHFFFAOYSA-N	1	0	369.510	1.013	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c(=O)[nH]c(C)cn3n1)C2	ZINC001095816672	1009854324	/nfs/dbraw/zinc/85/43/24/1009854324.db2.gz	HKLUXNXGPVSPFG-YCPHGPKFSA-N	1	0	355.442	1.632	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1	ZINC000950875681	1009977032	/nfs/dbraw/zinc/97/70/32/1009977032.db2.gz	PJAJADHVQSFXCV-AOIWGVFYSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1COc3ccccc3O1)C2	ZINC001111344195	1010348980	/nfs/dbraw/zinc/34/89/80/1010348980.db2.gz	UFPCDZFRNHMOED-JEWRLFTDSA-N	1	0	358.438	1.751	20	30		FDEDRO
C=CC[C@H](CO)[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC	ZINC000648517485	1010504266	/nfs/dbraw/zinc/50/42/66/1010504266.db2.gz	SXFGVSRRTMTDTL-BXUZGUMPSA-N	1	0	371.275	1.989	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3cnnn3)cc1)C2	ZINC001111364900	1010744483	/nfs/dbraw/zinc/74/44/83/1010744483.db2.gz	PGZKQPZRGYEENE-KURKYZTESA-N	1	0	352.442	1.964	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1	ZINC000951404521	1010815524	/nfs/dbraw/zinc/81/55/24/1010815524.db2.gz	NQSULTBQXVFTQJ-ZACQAIPSSA-N	1	0	361.486	1.313	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC000951789654	1011087794	/nfs/dbraw/zinc/08/77/94/1011087794.db2.gz	GNDHQBIRKDFGCJ-SJKOYZFVSA-N	1	0	362.393	1.425	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1	ZINC000951810090	1011098048	/nfs/dbraw/zinc/09/80/48/1011098048.db2.gz	NSRVGNFOAFNRGN-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1	ZINC000952065263	1011199669	/nfs/dbraw/zinc/19/96/69/1011199669.db2.gz	WSPQKEHRDPSMIV-BBWFWOEESA-N	1	0	363.502	1.417	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@H]2C[N@H+](C)Cc2ccc(C#N)cc2)O1	ZINC000960715385	1011239187	/nfs/dbraw/zinc/23/91/87/1011239187.db2.gz	BSUBEILKMUCFRK-LSTHTHJFSA-N	1	0	370.497	1.700	20	30		FDEDRO
C[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1	ZINC000960858780	1011562602	/nfs/dbraw/zinc/56/26/02/1011562602.db2.gz	ACRFDDNRSMBMJS-FGTMMUONSA-N	1	0	370.453	1.014	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)CC1	ZINC000963043274	1011780093	/nfs/dbraw/zinc/78/00/93/1011780093.db2.gz	SWEPBCOXIQMKGN-MSOLQXFVSA-N	1	0	363.502	1.153	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC000952519861	1011803671	/nfs/dbraw/zinc/80/36/71/1011803671.db2.gz	UWEKRZXJGYXDTP-MXASKKJJSA-N	1	0	369.469	1.432	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC000963155111	1011932668	/nfs/dbraw/zinc/93/26/68/1011932668.db2.gz	PNXJONKPVOIVAV-WCZJQEMASA-N	1	0	369.469	1.432	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(c3ccnc(C#N)n3)CC2)CC[N@@H+]1C	ZINC001066797736	1012441746	/nfs/dbraw/zinc/44/17/46/1012441746.db2.gz	JEGZQLUPYMTLLM-OWCLPIDISA-N	1	0	356.474	1.554	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1	ZINC000963810609	1012723919	/nfs/dbraw/zinc/72/39/19/1012723919.db2.gz	CJKWYYSTZNTORK-GUXCAODWSA-N	1	0	365.518	1.541	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1ccn(C)n1)C2	ZINC000963816403	1012733245	/nfs/dbraw/zinc/73/32/45/1012733245.db2.gz	ZVMPHLHSCFLXGS-INFDXNDLSA-N	1	0	358.486	1.918	20	30		FDEDRO
C=CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1	ZINC000963907173	1012938180	/nfs/dbraw/zinc/93/81/80/1012938180.db2.gz	CJBAKHRLARPWIM-ZGUYJTEBSA-N	1	0	363.502	1.702	20	30		FDEDRO
C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCO[C@H]3c3ccnn3CC)C2)C1	ZINC000963962021	1013014997	/nfs/dbraw/zinc/01/49/97/1013014997.db2.gz	VXCDNOIRQMOEAE-DMBBKXLLSA-N	1	0	356.470	1.631	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[NH+]2CCCC2)CC1(C)C	ZINC000967141403	1017195134	/nfs/dbraw/zinc/19/51/34/1017195134.db2.gz	DOAAQWFMUZUQGL-IXDOHACOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCC[C@H]2CCc3ccccc3N2)CC1	ZINC000652692405	1017580282	/nfs/dbraw/zinc/58/02/82/1017580282.db2.gz	SYIYZCGAOPTJMT-QGZVFWFLSA-N	1	0	370.497	1.686	20	30		FDEDRO
Cn1cc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c(-c2ccc(C#N)cc2)n1	ZINC000192647500	178124914	/nfs/dbraw/zinc/12/49/14/178124914.db2.gz	ZILZZXXWDAUFGF-IBGZPJMESA-N	1	0	364.409	1.133	20	30		FDEDRO
CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000192883188	178136900	/nfs/dbraw/zinc/13/69/00/178136900.db2.gz	NHDAJHAAVCVMRE-UHFFFAOYSA-N	1	0	359.474	1.853	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1	ZINC000193880132	178186157	/nfs/dbraw/zinc/18/61/57/178186157.db2.gz	SKEUSPLETYWPIC-CYBMUJFWSA-N	1	0	370.906	1.516	20	30		FDEDRO
COC1CC[NH+](C2(CNS(=O)(=O)N(C)[C@@H](C)CC#N)CCCC2)CC1	ZINC000509372642	538948377	/nfs/dbraw/zinc/94/83/77/538948377.db2.gz	OLUBXTUCVUMSOT-HNNXBMFYSA-N	1	0	372.535	1.478	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCN([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)CCO1	ZINC000245995889	178395334	/nfs/dbraw/zinc/39/53/34/178395334.db2.gz	BCGMNIVLKQJZBZ-JXFKEZNVSA-N	1	0	368.481	1.849	20	30		FDEDRO
N#Cc1ccsc1NC(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1	ZINC000511966504	538967032	/nfs/dbraw/zinc/96/70/32/538967032.db2.gz	ZQAUYRAWVXZTTM-UHFFFAOYSA-N	1	0	369.450	1.734	20	30		FDEDRO
C[NH+](C)CCNC(=O)C1CCN(C(=O)Cc2c(F)cccc2C#N)CC1	ZINC000512329492	538972400	/nfs/dbraw/zinc/97/24/00/538972400.db2.gz	RJKMUYLPQNDEPW-UHFFFAOYSA-N	1	0	360.433	1.156	20	30		FDEDRO
C[C@H]1C[C@@H](CCNS(=O)(=O)N(C)CCC#N)C[N@@H+]1Cc1ccccc1	ZINC000513078423	538985244	/nfs/dbraw/zinc/98/52/44/538985244.db2.gz	ZXMKOEASSPAFDL-FUHWJXTLSA-N	1	0	364.515	1.967	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1	ZINC000516233168	539024917	/nfs/dbraw/zinc/02/49/17/539024917.db2.gz	XGRQZOMMFXPWRU-HZPDHXFCSA-N	1	0	354.454	1.922	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)n1)C(C)C	ZINC000517563120	539371154	/nfs/dbraw/zinc/37/11/54/539371154.db2.gz	ILNNWDYTQPGDRT-INIZCTEOSA-N	1	0	355.442	1.707	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(-n2cnnn2)cc1Cl	ZINC000519139877	539470815	/nfs/dbraw/zinc/47/08/15/539470815.db2.gz	DHYILIMMMFOSEL-UHFFFAOYSA-N	1	0	361.837	1.623	20	30		FDEDRO
C[NH+](C)CCNC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N	ZINC000522772714	539580269	/nfs/dbraw/zinc/58/02/69/539580269.db2.gz	WMJWRFDVQSTPII-UHFFFAOYSA-N	1	0	353.382	1.362	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1noc2c1COCC2	ZINC000527595080	539710533	/nfs/dbraw/zinc/71/05/33/539710533.db2.gz	NCLNAKRMKDSVSH-UHFFFAOYSA-N	1	0	354.410	1.823	20	30		FDEDRO
C[NH+](C)[C@@]1(CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)CCSC1	ZINC000267187437	179784008	/nfs/dbraw/zinc/78/40/08/179784008.db2.gz	ZFEOXTQUSBVQNE-CQSZACIVSA-N	1	0	359.904	1.927	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C	ZINC000268198741	180022933	/nfs/dbraw/zinc/02/29/33/180022933.db2.gz	QYGQJDQNCMFSNX-SUMWQHHRSA-N	1	0	370.453	1.883	20	30		FDEDRO
COCCOC[C@@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000528388962	539755024	/nfs/dbraw/zinc/75/50/24/539755024.db2.gz	KAVIYWSRIRWYLR-MRXNPFEDSA-N	1	0	356.422	1.271	20	30		FDEDRO
C[C@H]1CN(CC#CCN2C(=O)c3ccccc3C2=O)CC[N@@H+]1CC(C)(C)O	ZINC000528469092	539759323	/nfs/dbraw/zinc/75/93/23/539759323.db2.gz	CACWUIAMXBQTDQ-INIZCTEOSA-N	1	0	369.465	1.063	20	30		FDEDRO
Cc1nc(C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)ccc1C#N	ZINC000269316408	180273107	/nfs/dbraw/zinc/27/31/07/180273107.db2.gz	BKXUONITHLOLPU-UHFFFAOYSA-N	1	0	355.486	1.892	20	30		FDEDRO
Cc1cccc(S(=O)(=O)NCC2(O)CC[NH+](C(C)C)CC2)c1C#N	ZINC000269757882	180380760	/nfs/dbraw/zinc/38/07/60/180380760.db2.gz	BJESNTHXELZWKU-UHFFFAOYSA-N	1	0	351.472	1.380	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)CC1	ZINC000530060205	539873984	/nfs/dbraw/zinc/87/39/84/539873984.db2.gz	FACSBNMHBAAXII-UHFFFAOYSA-N	1	0	370.497	1.708	20	30		FDEDRO
CC1([NH+]2CCOCC2)CCN(Cn2cc3c(c(C#N)c2=O)CCC3)CC1	ZINC000530105019	539885581	/nfs/dbraw/zinc/88/55/81/539885581.db2.gz	NXUHLWJMRDVJTL-UHFFFAOYSA-N	1	0	356.470	1.353	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)N[C@H]3C[C@H](C)[N@@H+](C4CC4)C3)CC2)c1C#N	ZINC000530408520	539963505	/nfs/dbraw/zinc/96/35/05/539963505.db2.gz	ZXCYEDGMOWDBFY-ZFWWWQNUSA-N	1	0	371.489	1.057	20	30		FDEDRO
CS[C@@H]1CN(C[C@@H](O)COc2ccc(C#N)cc2)C[C@@H]1[NH+]1CCCC1	ZINC000274041836	181016660	/nfs/dbraw/zinc/01/66/60/181016660.db2.gz	NGLFGFYDYGLDAN-NZSAHSFTSA-N	1	0	361.511	1.810	20	30		FDEDRO
N#Cc1ccc(Cl)cc1NC(=O)CN1CC[C@H]2[C@H]1CCC[N@H+]2CCO	ZINC000934262303	781931935	/nfs/dbraw/zinc/93/19/35/781931935.db2.gz	WGJQBBKXZLYIDF-SJORKVTESA-N	1	0	362.861	1.681	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@H]1[NH+]1CCCC1	ZINC000274783468	181165533	/nfs/dbraw/zinc/16/55/33/181165533.db2.gz	KRKIDPPFUVFCAS-CVEARBPZSA-N	1	0	369.487	1.898	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2cc(C#N)ccc2Cl)CC1	ZINC000274842436	181175380	/nfs/dbraw/zinc/17/53/80/181175380.db2.gz	FOZMSSFAJUQURL-UHFFFAOYSA-N	1	0	371.890	1.725	20	30		FDEDRO
CCCCN(C)C(=O)C1CC[NH+](CC(=O)N(CC)C[C@@H](C)C#N)CC1	ZINC000532098345	540138052	/nfs/dbraw/zinc/13/80/52/540138052.db2.gz	LVGCOLVWEUEIQG-INIZCTEOSA-N	1	0	350.507	1.965	20	30		FDEDRO
C=C1CCN([C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1	ZINC000532958533	540192117	/nfs/dbraw/zinc/19/21/17/540192117.db2.gz	KNMMGAAFWFVHMB-AWEZNQCLSA-N	1	0	351.472	1.916	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)n(CCC#N)n1	ZINC000533317779	540231112	/nfs/dbraw/zinc/23/11/12/540231112.db2.gz	COELTIAOEFBRJX-AWEZNQCLSA-N	1	0	358.446	1.177	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)n(CCC#N)n1	ZINC000533457974	540250668	/nfs/dbraw/zinc/25/06/68/540250668.db2.gz	WBGPHKVGIQGTEJ-HUUCEWRRSA-N	1	0	374.489	1.528	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c1C#N	ZINC000534060502	540319988	/nfs/dbraw/zinc/31/99/88/540319988.db2.gz	FXZFOQVZPUXIPJ-UHFFFAOYSA-N	1	0	360.378	1.440	20	30		FDEDRO
CC(C)C[C@H](NC(=O)NCC#Cc1ccccc1)C(=O)NCC[NH+](C)C	ZINC000534655774	540395378	/nfs/dbraw/zinc/39/53/78/540395378.db2.gz	XBJRYUNPJVZFBA-SFHVURJKSA-N	1	0	358.486	1.430	20	30		FDEDRO
COC(=O)c1cccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1C#N	ZINC000535014263	540439297	/nfs/dbraw/zinc/43/92/97/540439297.db2.gz	VATNPYNHWVIECD-OXQOHEQNSA-N	1	0	370.497	1.803	20	30		FDEDRO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)[C@H]3CCNC3=O)sc2C1	ZINC000535379920	540469534	/nfs/dbraw/zinc/46/95/34/540469534.db2.gz	LPZBNLLQARUMJU-RISCZKNCSA-N	1	0	360.483	1.893	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[NH2+][C@@H](CN1CCOCC1)c1ccccc1	ZINC000537041679	540677400	/nfs/dbraw/zinc/67/74/00/540677400.db2.gz	WXNSAIVVYPJZIY-IBGZPJMESA-N	1	0	369.469	1.305	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CC[C@@]1(C)CCC(=O)N1	ZINC000537726808	540765065	/nfs/dbraw/zinc/76/50/65/540765065.db2.gz	LSIQFYOBYSVKLD-HXUWFJFHSA-N	1	0	356.470	1.897	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+]Cc3ccc4c(c3)CCS4(=O)=O)n2c1	ZINC000538424379	540856406	/nfs/dbraw/zinc/85/64/06/540856406.db2.gz	JQZTWXZQHQLTDU-UHFFFAOYSA-N	1	0	352.419	1.826	20	30		FDEDRO
CCC[C@@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1	ZINC000269048264	674106030	/nfs/dbraw/zinc/10/60/30/674106030.db2.gz	PGBGEXQUHAHRAK-CVALACBASA-N	1	0	352.460	1.565	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+]C[C@H](O)COc3ccc4c(c3)OCO4)n2c1	ZINC000539473609	540963923	/nfs/dbraw/zinc/96/39/23/540963923.db2.gz	MTTMDKWRNCPXCX-HNNXBMFYSA-N	1	0	366.377	1.464	20	30		FDEDRO
COc1cc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)ccc1OCCO	ZINC000540378350	541052445	/nfs/dbraw/zinc/05/24/45/541052445.db2.gz	GLWIQIWJFNCPJK-YJYMSZOUSA-N	1	0	361.442	1.525	20	30		FDEDRO
N#Cc1ccccc1N1CCC(NC(=O)NC[C@@H]2C[NH2+]CCCO2)CC1	ZINC000892170077	781949491	/nfs/dbraw/zinc/94/94/91/781949491.db2.gz	RYEBLCIIPUZROI-KRWDZBQOSA-N	1	0	357.458	1.205	20	30		FDEDRO
C[C@H](C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)n1cnc(C#N)n1	ZINC000541795037	541267171	/nfs/dbraw/zinc/26/71/71/541267171.db2.gz	RQJZEGUIKDNTAI-BZUAXINKSA-N	1	0	366.469	1.984	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(C)CCCc1[nH]nc(N)c1C#N	ZINC000541895872	541292293	/nfs/dbraw/zinc/29/22/93/541292293.db2.gz	AVCKJSVJEAONDL-KBPBESRZSA-N	1	0	361.494	1.558	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000543753181	541652482	/nfs/dbraw/zinc/65/24/82/541652482.db2.gz	DNNOPVICMAHHJM-UHFFFAOYSA-N	1	0	361.494	1.747	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(C#N)cc1	ZINC000283518490	182204863	/nfs/dbraw/zinc/20/48/63/182204863.db2.gz	CGUOHUFEVKZXLQ-QGTPRVQTSA-N	1	0	354.454	1.678	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1	ZINC000545295342	541928612	/nfs/dbraw/zinc/92/86/12/541928612.db2.gz	CRNDJDLBHIMGMK-RBSFLKMASA-N	1	0	372.469	1.988	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)c1ccc(C#N)cc1	ZINC000284136254	182375005	/nfs/dbraw/zinc/37/50/05/182375005.db2.gz	WEHHDNSDQOCLEB-OAHLLOKOSA-N	1	0	372.469	1.041	20	30		FDEDRO
Cc1ccc([C@@H](CNC(=O)C(=O)NCc2cccc(C#N)c2)[NH+](C)C)cc1	ZINC000284143927	182377481	/nfs/dbraw/zinc/37/74/81/182377481.db2.gz	WTICCYGMBIFPIV-LJQANCHMSA-N	1	0	364.449	1.902	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)c1ccc(C#N)cc1	ZINC000284174562	182389353	/nfs/dbraw/zinc/38/93/53/182389353.db2.gz	ZBMHXISRBMNXPK-DNVCBOLYSA-N	1	0	368.481	1.926	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCC[NH+]1CCCCC1	ZINC000545898482	542043401	/nfs/dbraw/zinc/04/34/01/542043401.db2.gz	NXZSSQNUYVNGLK-UHFFFAOYSA-N	1	0	353.430	2.055	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1	ZINC000546002883	542071760	/nfs/dbraw/zinc/07/17/60/542071760.db2.gz	SDVUQCOKGIFZAT-OAHLLOKOSA-N	1	0	356.426	1.592	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000286449471	183068838	/nfs/dbraw/zinc/06/88/38/183068838.db2.gz	RJUVYMHLVLGECU-NVXWUHKLSA-N	1	0	373.476	1.276	20	30		FDEDRO
C[C@@H](C(=O)NCCn1cnc(C#N)n1)[NH+]1CCC(Cc2ccccc2)CC1	ZINC000286791708	183145899	/nfs/dbraw/zinc/14/58/99/183145899.db2.gz	JROPOGMBIBLERT-INIZCTEOSA-N	1	0	366.469	1.609	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C	ZINC000546707220	542204966	/nfs/dbraw/zinc/20/49/66/542204966.db2.gz	CEQOHNPZNHNHPQ-QGZVFWFLSA-N	1	0	366.421	1.924	20	30		FDEDRO
C[C@@H](C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)n1cnc(C#N)n1	ZINC000546688430	542200364	/nfs/dbraw/zinc/20/03/64/542200364.db2.gz	XAZBBGQFSQKYNR-HNNXBMFYSA-N	1	0	352.442	1.834	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)n1	ZINC000287110896	183214560	/nfs/dbraw/zinc/21/45/60/183214560.db2.gz	YKWGCEIUNBZBES-UHFFFAOYSA-N	1	0	353.430	1.245	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)o1	ZINC000287739847	183370631	/nfs/dbraw/zinc/37/06/31/183370631.db2.gz	HVCCQJJTKSFPDQ-GJZGRUSLSA-N	1	0	353.444	1.197	20	30		FDEDRO
CCN1CC[NH+](CCCCNC(=O)c2cc(C#N)cc(N(C)C)c2)CC1	ZINC000294957913	184022531	/nfs/dbraw/zinc/02/25/31/184022531.db2.gz	YWMCYFAUQLVQJA-UHFFFAOYSA-N	1	0	357.502	1.772	20	30		FDEDRO
CCOC[C@@H](C)CS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000295269179	184052628	/nfs/dbraw/zinc/05/26/28/184052628.db2.gz	ZARXQDPLMGIWMD-MRXNPFEDSA-N	1	0	367.515	1.924	20	30		FDEDRO
CC(C)[NH+](CCNC(=O)C1CCN(c2nccc(C#N)n2)CC1)C(C)C	ZINC000295439291	184071279	/nfs/dbraw/zinc/07/12/79/184071279.db2.gz	GHEQCVGWILWRCX-UHFFFAOYSA-N	1	0	358.490	1.800	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](C(=O)NCC[NH+]3CCC(O)CC3)C2)c(F)c1	ZINC000296745808	184196617	/nfs/dbraw/zinc/19/66/17/184196617.db2.gz	AYMKETCFUOBHEB-HNNXBMFYSA-N	1	0	360.433	1.097	20	30		FDEDRO
C[NH+](C)CCn1nccc1NC(=O)N1CCN(c2ccccc2C#N)CC1	ZINC000297466322	184275435	/nfs/dbraw/zinc/27/54/35/184275435.db2.gz	RFEKDDYONAJCOJ-UHFFFAOYSA-N	1	0	367.457	1.670	20	30		FDEDRO
CC1=CC[N@H+](CCNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1	ZINC000547297101	542303734	/nfs/dbraw/zinc/30/37/34/542303734.db2.gz	VDGOSWIXKBZCJA-UHFFFAOYSA-N	1	0	354.458	1.437	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1	ZINC000547416127	542334996	/nfs/dbraw/zinc/33/49/96/542334996.db2.gz	JHANAFAPCBZVKT-UHFFFAOYSA-N	1	0	358.442	1.742	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2nnn(C)n2)[C@H](C[NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC001087200910	781976689	/nfs/dbraw/zinc/97/66/89/781976689.db2.gz	UDFCKMFORLIWSQ-DOMZBBRYSA-N	1	0	371.420	1.251	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1	ZINC000270022023	674155018	/nfs/dbraw/zinc/15/50/18/674155018.db2.gz	JDNWZIXJNOAGSO-UHFFFAOYSA-N	1	0	360.439	1.391	20	30		FDEDRO
N#Cc1ccc(NC(=O)CCN2CC[NH+](CC3CCOCC3)CC2)cc1	ZINC000172422476	258276249	/nfs/dbraw/zinc/27/62/49/258276249.db2.gz	GOZFRNCMWPVACZ-UHFFFAOYSA-N	1	0	356.470	1.931	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC(C(=O)NCC[NH+](C)C)CC1	ZINC000171658801	258268150	/nfs/dbraw/zinc/26/81/50/258268150.db2.gz	HGUVXWXIFUPTFR-HNNXBMFYSA-N	1	0	371.485	1.275	20	30		FDEDRO
C=CCn1c([C@H]2CCOC2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1	ZINC000548855747	542792340	/nfs/dbraw/zinc/79/23/40/542792340.db2.gz	XWPRKHMMUTUHJB-ROUUACIJSA-N	1	0	374.533	1.573	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)c1	ZINC000286211637	675892689	/nfs/dbraw/zinc/89/26/89/675892689.db2.gz	SQLHHVPTIGIJBE-WOSRLPQWSA-N	1	0	351.472	1.267	20	30		FDEDRO
C=C(C)Cn1c(C(C)C)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1	ZINC000549691323	542918148	/nfs/dbraw/zinc/91/81/48/542918148.db2.gz	CNXUIDQPNGBYOS-UHFFFAOYSA-N	1	0	362.522	1.968	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1sccc1C#N)Cc1ccccc1	ZINC000550218468	543040807	/nfs/dbraw/zinc/04/08/07/543040807.db2.gz	KLVIQHMAHHMHMG-OAHLLOKOSA-N	1	0	356.451	1.847	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1	ZINC000550563977	543127228	/nfs/dbraw/zinc/12/72/28/543127228.db2.gz	AYUMEOCHMXLSFS-QAPCUYQASA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000550706267	543154449	/nfs/dbraw/zinc/15/44/49/543154449.db2.gz	CCYOBRACTVQHQN-MHORFTMASA-N	1	0	365.518	1.568	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@@H](C)O)C1)C(C)C	ZINC000551213331	543252965	/nfs/dbraw/zinc/25/29/65/543252965.db2.gz	NXGXPPWCJJJSJW-FGTMMUONSA-N	1	0	365.518	1.421	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@H](C)O)C1)C(C)C	ZINC000551213333	543252970	/nfs/dbraw/zinc/25/29/70/543252970.db2.gz	NXGXPPWCJJJSJW-OKZBNKHCSA-N	1	0	365.518	1.421	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1	ZINC000551849464	543353415	/nfs/dbraw/zinc/35/34/15/543353415.db2.gz	XHRUTWJNWNDTRS-UHFFFAOYSA-N	1	0	356.470	1.896	20	30		FDEDRO
Cc1nn(Cc2ccccc2)c(N)c1C(=O)NC1(C#N)CC[NH+](C)CC1	ZINC000552109800	543419553	/nfs/dbraw/zinc/41/95/53/543419553.db2.gz	SVWXEKYNVLLIEK-UHFFFAOYSA-N	1	0	352.442	1.540	20	30		FDEDRO
N#Cc1cccc(F)c1CC(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1	ZINC000552133010	543423162	/nfs/dbraw/zinc/42/31/62/543423162.db2.gz	TVLXOMCSVQILNA-MSOLQXFVSA-N	1	0	367.424	1.991	20	30		FDEDRO
C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CCn1cnc(C#N)n1	ZINC000552335576	543451686	/nfs/dbraw/zinc/45/16/86/543451686.db2.gz	WUAXWPAAHQHTKR-CQSZACIVSA-N	1	0	366.425	1.594	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1(C)C	ZINC000552590083	543488238	/nfs/dbraw/zinc/48/82/38/543488238.db2.gz	UNDNSJVEAGRKGC-UHFFFAOYSA-N	1	0	358.461	1.871	20	30		FDEDRO
CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1	ZINC000553094829	543567588	/nfs/dbraw/zinc/56/75/88/543567588.db2.gz	SGKUPVGRZBUATK-MRXNPFEDSA-N	1	0	371.485	1.053	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)NCc2ccc(C#N)cc2)CC1	ZINC000066891490	172001228	/nfs/dbraw/zinc/00/12/28/172001228.db2.gz	SKWGRTOOCHRWPC-UHFFFAOYSA-N	1	0	364.453	1.704	20	30		FDEDRO
CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2cc(C#N)ccc2C)CC1	ZINC000173458845	258300266	/nfs/dbraw/zinc/30/02/66/258300266.db2.gz	IAKASBUFTGFRQN-HNNXBMFYSA-N	1	0	364.515	1.419	20	30		FDEDRO
Cc1nc(SCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)n[nH]1	ZINC000081300858	172186181	/nfs/dbraw/zinc/18/61/81/172186181.db2.gz	AVRKUPSVMRITBB-UHFFFAOYSA-N	1	0	358.471	1.667	20	30		FDEDRO
N#Cc1ccc(CNC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc1	ZINC000089889561	172249638	/nfs/dbraw/zinc/24/96/38/172249638.db2.gz	SVRKUNMBZAAQLP-WOJBJXKFSA-N	1	0	364.449	1.993	20	30		FDEDRO
CC(C)[NH+](CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)C(C)C	ZINC000091189167	172276778	/nfs/dbraw/zinc/27/67/78/172276778.db2.gz	NJXRSZLUOHNOHW-UHFFFAOYSA-N	1	0	362.478	1.683	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000091209986	172278226	/nfs/dbraw/zinc/27/82/26/172278226.db2.gz	HWHXJPDNKHMOPY-ZIAGYGMSSA-N	1	0	374.489	1.685	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)[NH+]1CCC(C)CC1	ZINC000091213488	172278365	/nfs/dbraw/zinc/27/83/65/172278365.db2.gz	HQZVRQRIYMLCKZ-AWEZNQCLSA-N	1	0	374.489	1.685	20	30		FDEDRO
Cc1cc(NC(=O)CN2CCN(C[C@H](O)c3ccc(C#N)cc3)CC2)no1	ZINC000126939488	173059271	/nfs/dbraw/zinc/05/92/71/173059271.db2.gz	GDHBAELKRIUYGH-KRWDZBQOSA-N	1	0	369.425	1.144	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1	ZINC000127417774	173075957	/nfs/dbraw/zinc/07/59/57/173075957.db2.gz	XUQZZUCWJHGSHI-ROUUACIJSA-N	1	0	370.453	1.381	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNS(=O)(=O)Cc2cccc(C#N)c2)ccn1	ZINC000135091950	173338488	/nfs/dbraw/zinc/33/84/88/173338488.db2.gz	VQIOFLBAGOXGHB-UHFFFAOYSA-N	1	0	374.466	1.513	20	30		FDEDRO
C[C@H]1OCC[C@@H]1S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000135550464	173348415	/nfs/dbraw/zinc/34/84/15/173348415.db2.gz	LJDTVPIZDHJGME-PBHICJAKSA-N	1	0	351.472	1.429	20	30		FDEDRO
C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C#N)cc1F	ZINC000136016144	173355897	/nfs/dbraw/zinc/35/58/97/173355897.db2.gz	YCDRXEHJXXNDSE-MRXNPFEDSA-N	1	0	368.412	1.925	20	30		FDEDRO
CC1(C)COCCN1CCNC(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000176607621	174080609	/nfs/dbraw/zinc/08/06/09/174080609.db2.gz	MAGHUOZCMUIBJM-UHFFFAOYSA-N	1	0	364.833	1.377	20	30		FDEDRO
CC(C)C(=O)N1CCC([NH2+][C@H]2CCN(c3sccc3C#N)C2=O)CC1	ZINC000176715277	174084238	/nfs/dbraw/zinc/08/42/38/174084238.db2.gz	UMGNVVGIZMJEJN-HNNXBMFYSA-N	1	0	360.483	1.962	20	30		FDEDRO
COC(=O)c1cn(C2CC[NH+](CCOc3ccccc3C#N)CC2)nn1	ZINC000183742921	177595834	/nfs/dbraw/zinc/59/58/34/177595834.db2.gz	BPJFGNDXAHLACJ-UHFFFAOYSA-N	1	0	355.398	1.652	20	30		FDEDRO
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[N@@H+](C3CC3)CC2)n1	ZINC000179619099	258354802	/nfs/dbraw/zinc/35/48/02/258354802.db2.gz	KMYFPACOIZOJKK-UHFFFAOYSA-N	1	0	358.446	1.145	20	30		FDEDRO
CCC[N@H+](C)C[C@@H]1CCN(C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C1	ZINC000173783561	258310402	/nfs/dbraw/zinc/31/04/02/258310402.db2.gz	YOLCEGIMFYSGTM-INIZCTEOSA-N	1	0	358.486	1.986	20	30		FDEDRO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)CC1(O)CCOCC1	ZINC000189748603	258387368	/nfs/dbraw/zinc/38/73/68/258387368.db2.gz	IZGCTKZKGFUYJT-GFCCVEGCSA-N	1	0	363.483	1.909	20	30		FDEDRO
CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1ccnc(C#N)c1	ZINC000192912846	258392905	/nfs/dbraw/zinc/39/29/05/258392905.db2.gz	LAIBKRGZDFUWRL-QGZVFWFLSA-N	1	0	358.442	1.833	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)c2ncc(C)s2)CC1	ZINC000553733964	543688758	/nfs/dbraw/zinc/68/87/58/543688758.db2.gz	LKEMQHVLRJEILF-ZDUSSCGKSA-N	1	0	364.515	1.828	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@@H](OCCCC)C2(C)C)CC1	ZINC000553669356	543677820	/nfs/dbraw/zinc/67/78/20/543677820.db2.gz	COESLIBQNGNIOM-DLBZAZTESA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1	ZINC000553992381	543729942	/nfs/dbraw/zinc/72/99/42/543729942.db2.gz	YCMJKBKUZRHRAX-SFHVURJKSA-N	1	0	371.481	1.954	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@]1(C)CCCO1	ZINC000553898773	543714319	/nfs/dbraw/zinc/71/43/19/543714319.db2.gz	DABMQDMWQAWEGJ-FQEVSTJZSA-N	1	0	372.469	1.134	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCc2nnc(C)n2C1	ZINC000554591328	543831475	/nfs/dbraw/zinc/83/14/75/543831475.db2.gz	RSWMIAUYBSMTIM-AEFFLSMTSA-N	1	0	356.470	1.907	20	30		FDEDRO
C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)C[C@@H](C)C1	ZINC000556488598	544148231	/nfs/dbraw/zinc/14/82/31/544148231.db2.gz	FBSDQSSTHOBRGO-AHIWAGSCSA-N	1	0	358.417	1.825	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(C#N)cc(N(C)C)c3)C2)CC1	ZINC000556623284	544163771	/nfs/dbraw/zinc/16/37/71/544163771.db2.gz	IABLAVCBFYSGIW-LJQANCHMSA-N	1	0	369.513	1.865	20	30		FDEDRO
CC1CC[NH+]([C@@H](CNC(=O)NCC(=O)NCC#N)c2cccs2)CC1	ZINC000557750904	544341812	/nfs/dbraw/zinc/34/18/12/544341812.db2.gz	QQPWMAABVILJJV-AWEZNQCLSA-N	1	0	363.487	1.460	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCO[C@](C)(c3ccccc3)C2)CC1	ZINC000557733420	544337910	/nfs/dbraw/zinc/33/79/10/544337910.db2.gz	WKPGGPGYYPWPBZ-NRFANRHFSA-N	1	0	371.481	1.527	20	30		FDEDRO
CC[NH+](CC)CCS(=O)(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1	ZINC000559640967	544753650	/nfs/dbraw/zinc/75/36/50/544753650.db2.gz	ROXKSXBFCLLTEI-SFHVURJKSA-N	1	0	364.515	1.540	20	30		FDEDRO
CSC1(CNC(=O)C(=O)Nc2sccc2C#N)CC[NH+](C)CC1	ZINC000559910260	544841114	/nfs/dbraw/zinc/84/11/14/544841114.db2.gz	ZOQDPOSKQGLCHS-UHFFFAOYSA-N	1	0	352.485	1.502	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@H](C(=O)N4CCCC4)C3)C2=O)cc1	ZINC000329403516	259093984	/nfs/dbraw/zinc/09/39/84/259093984.db2.gz	ZSZFTIYTVIQQBK-WMZOPIPTSA-N	1	0	352.438	1.608	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1	ZINC000331119470	259176884	/nfs/dbraw/zinc/17/68/84/259176884.db2.gz	LQMNMXSWADFVEU-IAGOWNOFSA-N	1	0	355.442	1.373	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O)C(=O)Nc1ccccc1C#N	ZINC000331171046	259180164	/nfs/dbraw/zinc/18/01/64/259180164.db2.gz	IGSBGHYLZGLJMA-MAZHCROVSA-N	1	0	364.471	1.335	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000331301229	259186485	/nfs/dbraw/zinc/18/64/85/259186485.db2.gz	PNPATMJBJBKADO-CHWSQXEVSA-N	1	0	366.443	1.865	20	30		FDEDRO
C[C@@H]1[NH2+]CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H]1C	ZINC000331914687	259228803	/nfs/dbraw/zinc/22/88/03/259228803.db2.gz	UPBBZLDUVYSQLT-ZQIUZPCESA-N	1	0	355.442	1.445	20	30		FDEDRO
C[NH+](C)CC1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1	ZINC000332440317	259266870	/nfs/dbraw/zinc/26/68/70/259266870.db2.gz	IMWDEVQBKIIGJH-UHFFFAOYSA-N	1	0	352.442	1.740	20	30		FDEDRO
N#Cc1cccc(CS(=O)(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1	ZINC000333482951	259352647	/nfs/dbraw/zinc/35/26/47/259352647.db2.gz	CIQCMDJJTJAMEI-ROUUACIJSA-N	1	0	363.483	1.606	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1	ZINC000333637658	259365693	/nfs/dbraw/zinc/36/56/93/259365693.db2.gz	HQBRGDGFFQUYHB-IAGOWNOFSA-N	1	0	363.483	1.774	20	30		FDEDRO
Cc1cc(S(=O)(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)ccc1C#N	ZINC000333686141	259369815	/nfs/dbraw/zinc/36/98/15/259369815.db2.gz	PHWJAUMDCIZSQZ-ZWKOTPCHSA-N	1	0	363.483	1.774	20	30		FDEDRO
C[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000367438062	260041820	/nfs/dbraw/zinc/04/18/20/260041820.db2.gz	ZYENDVNGKKSJOA-GUYCJALGSA-N	1	0	358.446	1.511	20	30		FDEDRO
C[C@@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CCn1cnc(C#N)n1	ZINC000367527477	260055902	/nfs/dbraw/zinc/05/59/02/260055902.db2.gz	OWKILMKXBJCGFN-UONOGXRCSA-N	1	0	364.450	1.154	20	30		FDEDRO
C[C@]1(CNC(=O)NCCn2cnc(C#N)n2)CCC[N@@H+]1Cc1ccccc1	ZINC000367794575	260092681	/nfs/dbraw/zinc/09/26/81/260092681.db2.gz	SQDYGGSMYNJYBF-LJQANCHMSA-N	1	0	367.457	1.504	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1	ZINC000368152074	260141828	/nfs/dbraw/zinc/14/18/28/260141828.db2.gz	LQIOMAZOOAKMJS-LIRRHRJNSA-N	1	0	374.464	1.598	20	30		FDEDRO
COC(=O)c1cn([C@H]2CCC[N@H+](C[C@H](O)c3ccc(C#N)cc3)C2)nn1	ZINC000368843482	260247353	/nfs/dbraw/zinc/24/73/53/260247353.db2.gz	LYXYIQNDZISFEL-RDJZCZTQSA-N	1	0	355.398	1.307	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@H]1CCCCNC1=O	ZINC000369193209	260310387	/nfs/dbraw/zinc/31/03/87/260310387.db2.gz	KHUHKSMGDBJVGK-GOSISDBHSA-N	1	0	356.470	1.755	20	30		FDEDRO
Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(C#N)cc2)n1	ZINC000369283353	260333149	/nfs/dbraw/zinc/33/31/49/260333149.db2.gz	NDTLUDZTOLBMCC-ROUUACIJSA-N	1	0	355.442	1.671	20	30		FDEDRO
N#Cc1ncn(C2CC[NH+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)n1	ZINC000369382677	260353030	/nfs/dbraw/zinc/35/30/30/260353030.db2.gz	DLGWCERSOTUTDF-AWEZNQCLSA-N	1	0	372.385	1.135	20	30		FDEDRO
CN(CC(=O)NCc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000371426923	260706820	/nfs/dbraw/zinc/70/68/20/260706820.db2.gz	ZMMQDLJLBWKATD-HXUWFJFHSA-N	1	0	369.513	1.275	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C3CCC3)CC2)o1	ZINC000373969797	261059398	/nfs/dbraw/zinc/05/93/98/261059398.db2.gz	ILBDWXWHUUECCY-QGZVFWFLSA-N	1	0	357.458	1.768	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCc2cccc(C#N)c2)CC1=O	ZINC000374057613	261071642	/nfs/dbraw/zinc/07/16/42/261071642.db2.gz	KLCKJTJFRDTRAD-MOPGFXCFSA-N	1	0	368.481	1.550	20	30		FDEDRO
CCC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@@H]1CC(=O)N(C)C1=O	ZINC000374684823	261174337	/nfs/dbraw/zinc/17/43/37/261174337.db2.gz	GWAFXOXJWYMRSP-QGZVFWFLSA-N	1	0	365.437	1.928	20	30		FDEDRO
N#Cc1cccc(OCCC[NH+]2CCC(O)(CN3CCOCC3)CC2)c1	ZINC000375000636	261244896	/nfs/dbraw/zinc/24/48/96/261244896.db2.gz	XPAIGILRTJOURV-UHFFFAOYSA-N	1	0	359.470	1.486	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3[C@H]3CCCO3)CC2)o1	ZINC000375339021	261317690	/nfs/dbraw/zinc/31/76/90/261317690.db2.gz	VQJRQQYFIBJOGE-IAGOWNOFSA-N	1	0	373.457	1.147	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CC[N@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1	ZINC000375505094	261356731	/nfs/dbraw/zinc/35/67/31/261356731.db2.gz	FBCJIMGVHWQIKU-VXGBXAGGSA-N	1	0	354.332	1.482	20	30		FDEDRO
C[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)n1cnc(C#N)n1	ZINC000409600263	262128950	/nfs/dbraw/zinc/12/89/50/262128950.db2.gz	IBIQWTAETNRGTP-UONOGXRCSA-N	1	0	358.471	1.801	20	30		FDEDRO
C[C@H](C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)n1cnc(C#N)n1	ZINC000409648100	262131034	/nfs/dbraw/zinc/13/10/34/262131034.db2.gz	ODXJMJZXMFVXKB-RBSFLKMASA-N	1	0	360.462	1.059	20	30		FDEDRO
C[C@H](C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)n1cnc(C#N)n1	ZINC000409651504	262131215	/nfs/dbraw/zinc/13/12/15/262131215.db2.gz	IASQAEVTJOFEAG-NVXWUHKLSA-N	1	0	352.442	1.392	20	30		FDEDRO
C[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)n1cnc(C#N)n1	ZINC000409651507	262131790	/nfs/dbraw/zinc/13/17/90/262131790.db2.gz	IASQAEVTJOFEAG-RDJZCZTQSA-N	1	0	352.442	1.392	20	30		FDEDRO
COCC[N@H+](C)CC[C@@H](NC(=O)[C@H](C)n1cnc(C#N)n1)c1ccccc1	ZINC000409661824	262131913	/nfs/dbraw/zinc/13/19/13/262131913.db2.gz	DVSVWVLEJQNUCG-DOTOQJQBSA-N	1	0	370.457	1.537	20	30		FDEDRO
Cc1ccc(NC(=O)[C@H](C)n2cnc(C#N)n2)cc1NC(=O)CC[NH+](C)C	ZINC000409923337	262145199	/nfs/dbraw/zinc/14/51/99/262145199.db2.gz	LJUYWTJRYSYMLP-ZDUSSCGKSA-N	1	0	369.429	1.548	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1	ZINC000892186731	782044310	/nfs/dbraw/zinc/04/43/10/782044310.db2.gz	BSLBXKZXCYNUAV-UWWQBHOKSA-N	1	0	371.460	1.917	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cnc3c(C)cccn3c2=O)c1C#N	ZINC000540256651	490811471	/nfs/dbraw/zinc/81/14/71/490811471.db2.gz	JSFXNIPMAUJQEW-UHFFFAOYSA-N	1	0	365.397	1.002	20	30		FDEDRO
CCN1CCO[C@@H](CNC(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1	ZINC000613159731	491970495	/nfs/dbraw/zinc/97/04/95/491970495.db2.gz	NNSJGFGYOSSCIH-HNNXBMFYSA-N	1	0	369.429	1.290	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2CCN(c3cccc(F)c3C#N)CC2)CC1	ZINC000029857880	519327535	/nfs/dbraw/zinc/32/75/35/519327535.db2.gz	DAGMXABKCXOLNR-UHFFFAOYSA-N	1	0	373.476	1.420	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1	ZINC000031229668	519419953	/nfs/dbraw/zinc/41/99/53/519419953.db2.gz	YMIYMHJZZCQBEG-HNNXBMFYSA-N	1	0	363.483	1.202	20	30		FDEDRO
CC(C)[C@H](CNC(=O)[C@H](C)Oc1ccc(C#N)cc1)[NH+]1CCN(C)CC1	ZINC000042578163	519695944	/nfs/dbraw/zinc/69/59/44/519695944.db2.gz	WQRIOLBHDQSHGO-LPHOPBHVSA-N	1	0	358.486	1.714	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)Nc1ccc(CC[NH+]2CCOCC2)cc1	ZINC000056215744	521817572	/nfs/dbraw/zinc/81/75/72/521817572.db2.gz	XSWMRHXVBYYWJQ-HNNXBMFYSA-N	1	0	360.458	1.374	20	30		FDEDRO
C[C@@H]1C[NH+](CCCNC(=O)NCc2ccc(OCC#N)cc2)C[C@@H](C)O1	ZINC000069316895	521856795	/nfs/dbraw/zinc/85/67/95/521856795.db2.gz	FMCKPTGBIXLUQA-HZPDHXFCSA-N	1	0	360.458	1.887	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000069711954	521942173	/nfs/dbraw/zinc/94/21/73/521942173.db2.gz	TXGGTXLCBHMWSD-IAGOWNOFSA-N	1	0	357.454	1.896	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@H](CC(C)C)C3)CC2)o1	ZINC000072491893	522307903	/nfs/dbraw/zinc/30/79/03/522307903.db2.gz	YFFYXPAUXWMVCU-MRXNPFEDSA-N	1	0	359.474	1.871	20	30		FDEDRO
CC[NH+](CC)CCOC1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC1	ZINC000072644405	522345247	/nfs/dbraw/zinc/34/52/47/522345247.db2.gz	GVEOGXGGTFROFJ-UHFFFAOYSA-N	1	0	372.469	1.846	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1	ZINC000072895847	522421542	/nfs/dbraw/zinc/42/15/42/522421542.db2.gz	OVFOIAZJJBLSMX-SJORKVTESA-N	1	0	358.486	1.983	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC(=O)N(C2CC2)C1	ZINC000047011532	522421777	/nfs/dbraw/zinc/42/17/77/522421777.db2.gz	CCDKPJAIMFQKIG-KRWDZBQOSA-N	1	0	354.454	1.459	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1	ZINC000072974644	522440012	/nfs/dbraw/zinc/44/00/12/522440012.db2.gz	SKRXEXRXXUGPGC-IKGGRYGDSA-N	1	0	350.507	1.973	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)cc2C1=O	ZINC000047226888	522476616	/nfs/dbraw/zinc/47/66/16/522476616.db2.gz	PZHQAMCOFVFZGH-IAGOWNOFSA-N	1	0	353.422	1.825	20	30		FDEDRO
CC[NH+]1CCN(CC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC1	ZINC000073383092	522518218	/nfs/dbraw/zinc/51/82/18/522518218.db2.gz	CNFYBJQTAJZGJB-UHFFFAOYSA-N	1	0	356.470	1.566	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1	ZINC000063490278	522599549	/nfs/dbraw/zinc/59/95/49/522599549.db2.gz	HJKDKSKYWUWCGJ-HNNXBMFYSA-N	1	0	365.499	1.611	20	30		FDEDRO
C[NH+]=C(NCc1sccc1C)N1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000073777843	522607525	/nfs/dbraw/zinc/60/75/25/522607525.db2.gz	DLYGRZHOMQZLOA-CQSZACIVSA-N	1	0	350.488	1.455	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)CN1C(=O)NC(C)(C)C1=O)C(C)C	ZINC000073806541	522611408	/nfs/dbraw/zinc/61/14/08/522611408.db2.gz	JAAZYVNOOCIKBW-CQSZACIVSA-N	1	0	350.463	1.132	20	30		FDEDRO
CN(C)S(=O)(=O)c1ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cc1	ZINC000064361737	522707137	/nfs/dbraw/zinc/70/71/37/522707137.db2.gz	UKJHWBKCPBPZRG-UHFFFAOYSA-N	1	0	366.487	1.244	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1	ZINC000064361880	522708400	/nfs/dbraw/zinc/70/84/00/522708400.db2.gz	XXRGZRCQGXPGCC-HNNXBMFYSA-N	1	0	360.433	1.873	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CNC(=O)NCc1ccc(F)cc1	ZINC000064381099	522709563	/nfs/dbraw/zinc/70/95/63/522709563.db2.gz	MDMZIABLNYLEIA-UHFFFAOYSA-N	1	0	363.437	1.319	20	30		FDEDRO
CCc1cnc(CNC(=[NH+]C)N2CCN(C(=O)[C@@H]3CCCO3)CC2)s1	ZINC000075047651	522871696	/nfs/dbraw/zinc/87/16/96/522871696.db2.gz	HLWKFUHLGZSDMQ-AWEZNQCLSA-N	1	0	365.503	1.104	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2ccccc2CN2CCOCC2)CC1	ZINC000050025488	522878412	/nfs/dbraw/zinc/87/84/12/522878412.db2.gz	GFRGVQXLUXQRIV-UHFFFAOYSA-N	1	0	355.482	1.480	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)CC1	ZINC000050031846	522880833	/nfs/dbraw/zinc/88/08/33/522880833.db2.gz	VCTRRCCMUWPATM-UHFFFAOYSA-N	1	0	371.456	1.892	20	30		FDEDRO
CCN(CCC#N)C(=O)CN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000075935767	522995600	/nfs/dbraw/zinc/99/56/00/522995600.db2.gz	VSDVICNJZQMZNB-CALCHBBNSA-N	1	0	350.507	1.570	20	30		FDEDRO
CCOCCC[NH+]=C(NCCOCCO)NCc1ccc(OC)cc1	ZINC000066244969	522997826	/nfs/dbraw/zinc/99/78/26/522997826.db2.gz	AHJUBLDTHRGTBS-UHFFFAOYSA-N	1	0	353.463	1.166	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)NCc3cccc(C#N)c3)CC2)CC1	ZINC000051277272	523006070	/nfs/dbraw/zinc/00/60/70/523006070.db2.gz	GDCOEHLOGULHNH-UHFFFAOYSA-N	1	0	355.486	1.916	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)CNc3ccc(C#N)cc3)CC2)CC1	ZINC000051463900	523028826	/nfs/dbraw/zinc/02/88/26/523028826.db2.gz	VLIGTVRAHISOTK-UHFFFAOYSA-N	1	0	355.486	1.645	20	30		FDEDRO
CCCNC(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000051580389	523037682	/nfs/dbraw/zinc/03/76/82/523037682.db2.gz	WWXWBGHRCYWPPQ-MSOLQXFVSA-N	1	0	359.470	1.731	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NCC1([NH+](C)C)CCCC1	ZINC000076224334	523048249	/nfs/dbraw/zinc/04/82/49/523048249.db2.gz	RTQLBNNIYOKEIB-UHFFFAOYSA-N	1	0	361.417	1.767	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CCC)C1	ZINC000076266435	523057731	/nfs/dbraw/zinc/05/77/31/523057731.db2.gz	WDSXZUCHKQTJOH-AWEZNQCLSA-N	1	0	361.417	1.624	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC(C[NH+]2CCOCC2)CC1	ZINC000051958282	523097017	/nfs/dbraw/zinc/09/70/17/523097017.db2.gz	GESLWBQKXHWTCE-APWZRJJASA-N	1	0	350.507	1.474	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1	ZINC000076540997	523131475	/nfs/dbraw/zinc/13/14/75/523131475.db2.gz	HWFZKAVXCSOUQY-QGZVFWFLSA-N	1	0	369.465	1.972	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000067270046	523372746	/nfs/dbraw/zinc/37/27/46/523372746.db2.gz	CLQGBDZBGKWYIF-UHFFFAOYSA-N	1	0	371.401	1.483	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccnc2)CC1	ZINC000077614228	523397027	/nfs/dbraw/zinc/39/70/27/523397027.db2.gz	UMOXNXZESJSNAI-HKUYNNGSSA-N	1	0	356.470	1.758	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](C)C[NH+]3CCCC3)cc2C1=O	ZINC000077667281	523409240	/nfs/dbraw/zinc/40/92/40/523409240.db2.gz	UHLNKADABOEOTK-CQSZACIVSA-N	1	0	355.438	1.930	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000067435889	523447949	/nfs/dbraw/zinc/44/79/49/523447949.db2.gz	ABINDZOLKIJAQG-KRWDZBQOSA-N	1	0	350.488	1.578	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000067435836	523447969	/nfs/dbraw/zinc/44/79/69/523447969.db2.gz	ARTOLDFMEKXVNP-KRWDZBQOSA-N	1	0	350.488	1.721	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1	ZINC000077861915	523491579	/nfs/dbraw/zinc/49/15/79/523491579.db2.gz	PRUBDNNLXZIUCQ-UHFFFAOYSA-N	1	0	360.458	1.940	20	30		FDEDRO
CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1	ZINC000067653614	523533871	/nfs/dbraw/zinc/53/38/71/523533871.db2.gz	MEYBQEAWSAMDAZ-HKUYNNGSSA-N	1	0	359.470	1.825	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1	ZINC000054206057	523592828	/nfs/dbraw/zinc/59/28/28/523592828.db2.gz	UOELKBPTPYAWII-MRXNPFEDSA-N	1	0	357.458	1.803	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000054853049	523709158	/nfs/dbraw/zinc/70/91/58/523709158.db2.gz	FLHKULLLOJHDDA-HNNXBMFYSA-N	1	0	370.453	1.884	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCCN(C(C)=O)CC1)C(C)C	ZINC000079440445	523749568	/nfs/dbraw/zinc/74/95/68/523749568.db2.gz	BMDSMSTUHKRBPX-GOSISDBHSA-N	1	0	350.507	1.949	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCCN(C(C)=O)CC1)C(C)C	ZINC000079440449	523749682	/nfs/dbraw/zinc/74/96/82/523749682.db2.gz	BMDSMSTUHKRBPX-SFHVURJKSA-N	1	0	350.507	1.949	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)c1	ZINC000068342397	523764399	/nfs/dbraw/zinc/76/43/99/523764399.db2.gz	RUPZYUZPDBCYRY-OAHLLOKOSA-N	1	0	351.472	1.317	20	30		FDEDRO
Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)nc1	ZINC000080926919	523917678	/nfs/dbraw/zinc/91/76/78/523917678.db2.gz	UPBCEOUBAHXMMP-JKSUJKDBSA-N	1	0	357.458	1.801	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])c1	ZINC000156597935	524112888	/nfs/dbraw/zinc/11/28/88/524112888.db2.gz	NCTMWTZGHMMKEH-CJNGLKHVSA-N	1	0	351.472	1.350	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(N3CCCNC3=O)CC2)cc1	ZINC000135433247	524142654	/nfs/dbraw/zinc/14/26/54/524142654.db2.gz	PEJUNTMDBGEQCR-GOSISDBHSA-N	1	0	372.469	1.372	20	30		FDEDRO
C[NH+]1CCN([C@H]2CCCCN(C(=O)C(=O)Nc3cccc(C#N)c3)C2)CC1	ZINC000121158068	524169490	/nfs/dbraw/zinc/16/94/90/524169490.db2.gz	RCVFSNQWUJFAGH-SFHVURJKSA-N	1	0	369.469	1.125	20	30		FDEDRO
C[NH+]1CCN([C@H]2CCCCN(C(=O)C(=O)Nc3ccc(C#N)cc3)C2)CC1	ZINC000121172992	524175489	/nfs/dbraw/zinc/17/54/89/524175489.db2.gz	LUGFMMVNLQJHQT-SFHVURJKSA-N	1	0	369.469	1.125	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)c(F)c1	ZINC000135941217	524178447	/nfs/dbraw/zinc/17/84/47/524178447.db2.gz	PIHPJHFAXOYXTH-UHFFFAOYSA-N	1	0	353.357	1.380	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c(F)c1	ZINC000136261866	524193512	/nfs/dbraw/zinc/19/35/12/524193512.db2.gz	HHVFEYAWIMHPEU-HNNXBMFYSA-N	1	0	374.416	1.207	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)CC1	ZINC000111124893	524203869	/nfs/dbraw/zinc/20/38/69/524203869.db2.gz	JIJXKYVOQWFGHU-OAQYLSRUSA-N	1	0	369.509	1.391	20	30		FDEDRO
CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000157151692	524218922	/nfs/dbraw/zinc/21/89/22/524218922.db2.gz	XATZIYWDGUTMFA-GOSISDBHSA-N	1	0	371.485	1.395	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)Cc1ccc(OCC#N)cc1	ZINC000173106277	524322778	/nfs/dbraw/zinc/32/27/78/524322778.db2.gz	OIXJBTJETRRKNY-UHFFFAOYSA-N	1	0	366.421	1.931	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)CC1	ZINC000173160883	524337680	/nfs/dbraw/zinc/33/76/80/524337680.db2.gz	ISSCBQRUKPNBBF-INIZCTEOSA-N	1	0	355.438	1.272	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(-c3noc(C)n3)c2)CC1	ZINC000173275799	524361372	/nfs/dbraw/zinc/36/13/72/524361372.db2.gz	ZYBQJCHXECCRHA-UHFFFAOYSA-N	1	0	369.425	1.750	20	30		FDEDRO
C[C@@H](CNC(=O)CSCc1ccc(C#N)cc1)C[NH+]1CCN(C)CC1	ZINC000121802843	524368523	/nfs/dbraw/zinc/36/85/23/524368523.db2.gz	GCBIAJKDICLJET-INIZCTEOSA-N	1	0	360.527	1.791	20	30		FDEDRO
CC1CC[NH+](CCNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC1	ZINC000157923767	524368695	/nfs/dbraw/zinc/36/86/95/524368695.db2.gz	CPHKXLJZJXYRQX-MRXNPFEDSA-N	1	0	371.489	1.300	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CC[N@@H+](C2CC2)C1	ZINC000143947454	524375520	/nfs/dbraw/zinc/37/55/20/524375520.db2.gz	HEVMQUXLWWKWJH-HNNXBMFYSA-N	1	0	352.442	1.503	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NCC2([NH3+])CCCCC2)c1	ZINC000121925421	524409829	/nfs/dbraw/zinc/40/98/29/524409829.db2.gz	HIRAQMWZQMWIAN-UHFFFAOYSA-N	1	0	351.472	1.542	20	30		FDEDRO
C[NH+]=C(NCc1cnc(N(C)C)n1C)N(C)Cc1ccc2c(c1)OCO2	ZINC000087233349	524420834	/nfs/dbraw/zinc/42/08/34/524420834.db2.gz	JNKUZGKDNZVLQZ-UHFFFAOYSA-N	1	0	358.446	1.422	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1	ZINC000271675273	674368756	/nfs/dbraw/zinc/36/87/56/674368756.db2.gz	NKIJKWNHVQZCRD-CABCVRRESA-N	1	0	365.499	1.834	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc2cnccc21	ZINC000122114866	524453954	/nfs/dbraw/zinc/45/39/54/524453954.db2.gz	MRPGXHXVIZTPBM-UHFFFAOYSA-N	1	0	353.426	1.867	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)NC2CC[NH+](CCOC)CC2)c1	ZINC000148678002	524454045	/nfs/dbraw/zinc/45/40/45/524454045.db2.gz	DYGLWIWXZOEKLL-UHFFFAOYSA-N	1	0	361.442	1.417	20	30		FDEDRO
CCOc1cc(F)ccc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000122107279	524454158	/nfs/dbraw/zinc/45/41/58/524454158.db2.gz	YPNGSUYWCRVNHK-UHFFFAOYSA-N	1	0	364.421	1.857	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(CCC(=O)OC)C[C@@H]2C)CC1	ZINC000089266525	524484218	/nfs/dbraw/zinc/48/42/18/524484218.db2.gz	QEDCLGYFBQHRDM-INIZCTEOSA-N	1	0	366.506	1.306	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)c1C#N	ZINC000089661810	524518623	/nfs/dbraw/zinc/51/86/23/524518623.db2.gz	RJXNCLKEKBLSKP-LLVKDONJSA-N	1	0	372.395	1.646	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-n3cncn3)cc2C)c1C#N	ZINC000089663505	524518811	/nfs/dbraw/zinc/51/88/11/524518811.db2.gz	MSHBLTJOIXPHHB-UHFFFAOYSA-N	1	0	364.413	1.575	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(N3CCCC3)nc2)c1C#N	ZINC000089676169	524519248	/nfs/dbraw/zinc/51/92/48/524519248.db2.gz	RDVRUKZEBMZSNG-UHFFFAOYSA-N	1	0	353.430	1.681	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1c(C)c(C)nn1C)C(C)C	ZINC000151212634	524538554	/nfs/dbraw/zinc/53/85/54/524538554.db2.gz	SKQKZLIHVAFFHT-MRXNPFEDSA-N	1	0	361.490	1.790	20	30		FDEDRO
CC(=O)c1cccc(OC[C@@H](O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1	ZINC000089942830	524554552	/nfs/dbraw/zinc/55/45/52/524554552.db2.gz	XFHYTLNCQVRARQ-HNNXBMFYSA-N	1	0	371.441	1.370	20	30		FDEDRO
CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N	ZINC000091250800	524682183	/nfs/dbraw/zinc/68/21/83/524682183.db2.gz	QJMUZAPCAGXECD-INIZCTEOSA-N	1	0	374.489	1.901	20	30		FDEDRO
C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1	ZINC000151845278	524705209	/nfs/dbraw/zinc/70/52/09/524705209.db2.gz	OIDSJCOMCSSGNJ-UHFFFAOYSA-N	1	0	373.432	1.737	20	30		FDEDRO
CC(C)CO[C@@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1	ZINC000091591857	524734158	/nfs/dbraw/zinc/73/41/58/524734158.db2.gz	ZJDAXTKMZLDOJH-MSOLQXFVSA-N	1	0	350.507	1.426	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1	ZINC000091593639	524735179	/nfs/dbraw/zinc/73/51/79/524735179.db2.gz	JNRCOJYFDHAJMI-QRVBRYPASA-N	1	0	361.534	1.095	20	30		FDEDRO
C[NH+]=C(NCCNC(=O)c1ccc(Cl)cc1)N[C@@H]1C[C@H]2CC[C@@H]1O2	ZINC000159801866	524740620	/nfs/dbraw/zinc/74/06/20/524740620.db2.gz	INNAWQYNRJUEMN-KFWWJZLASA-N	1	0	350.850	1.555	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@]2(CO)CCc3ccccc32)CC1	ZINC000091631747	524747020	/nfs/dbraw/zinc/74/70/20/524747020.db2.gz	UHBIRJKFXFVYII-PZJWPPBQSA-N	1	0	370.497	1.102	20	30		FDEDRO
CN1CCN([C@@H]2CCCC[N@H+](CCC(=O)Nc3ccccc3C#N)C2)CC1	ZINC000174877134	524773119	/nfs/dbraw/zinc/77/31/19/524773119.db2.gz	VIIKJQYMMVZPOL-LJQANCHMSA-N	1	0	369.513	1.989	20	30		FDEDRO
C[NH+](C)CCCNC(=O)CC1S/C(=N\Cc2ccc(F)cc2)NC1=O	ZINC000174892387	524780927	/nfs/dbraw/zinc/78/09/27/524780927.db2.gz	UTPOGLQWWOPCHT-CQSZACIVSA-N	1	0	366.462	1.371	20	30		FDEDRO
Cc1oc(NC(=O)CN2CCCC[C@H]([NH+]3CCN(C)CC3)C2)c(C#N)c1C	ZINC000174893269	524782920	/nfs/dbraw/zinc/78/29/20/524782920.db2.gz	DIRGJXBWUIXCHF-KRWDZBQOSA-N	1	0	373.501	1.809	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C[C@H]3CCOC3)C3CC3)CC2)o1	ZINC000123782273	524828335	/nfs/dbraw/zinc/82/83/35/524828335.db2.gz	NECUXYXKLZLSGB-OAHLLOKOSA-N	1	0	373.457	1.004	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(N)=O)nc1	ZINC000123816642	524835367	/nfs/dbraw/zinc/83/53/67/524835367.db2.gz	MQJYGQIQWVWHFM-UHFFFAOYSA-N	1	0	351.410	1.256	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)[N@H+](C)C1CC1	ZINC000114595830	524838808	/nfs/dbraw/zinc/83/88/08/524838808.db2.gz	NTHLSSPCTGCMCZ-VQIMIIECSA-N	1	0	355.486	1.889	20	30		FDEDRO
N#Cc1ccccc1OCC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1	ZINC000160459881	524893598	/nfs/dbraw/zinc/89/35/98/524893598.db2.gz	BTNBRYMRPAGUHI-ZWKOTPCHSA-N	1	0	357.454	1.821	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000152568835	524928800	/nfs/dbraw/zinc/92/88/00/524928800.db2.gz	RQISUVHIFUQYFT-QAPCUYQASA-N	1	0	370.453	1.091	20	30		FDEDRO
C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)c2ccc(C#N)nc2)CC1	ZINC000115344288	524969776	/nfs/dbraw/zinc/96/97/76/524969776.db2.gz	OHFGNDWJARYMOW-UHFFFAOYSA-N	1	0	371.485	1.509	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2ccc(C#N)nc2)cc1	ZINC000115373171	524978126	/nfs/dbraw/zinc/97/81/26/524978126.db2.gz	TWGSNGHWROLAHT-UHFFFAOYSA-N	1	0	351.410	1.175	20	30		FDEDRO
CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2C#N)CC1	ZINC000124451340	524991167	/nfs/dbraw/zinc/99/11/67/524991167.db2.gz	SCZHWLKHTUTEEQ-UHFFFAOYSA-N	1	0	369.462	1.865	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1	ZINC000175765874	525002585	/nfs/dbraw/zinc/00/25/85/525002585.db2.gz	FUONKMHYAXBKHU-UHFFFAOYSA-N	1	0	359.474	1.587	20	30		FDEDRO
N#Cc1ccc([C@@H]([NH2+]C[C@H](c2cccs2)N2CCOCC2)C(N)=O)cc1	ZINC000115532013	525009452	/nfs/dbraw/zinc/00/94/52/525009452.db2.gz	RGQLXBLZLQDFFX-SJLPKXTDSA-N	1	0	370.478	1.809	20	30		FDEDRO
CCO[C@@H]1C[C@H](O)C12CC[NH+](C[C@H](O)COc1ccc(C#N)cc1)CC2	ZINC000152851403	525026426	/nfs/dbraw/zinc/02/64/26/525026426.db2.gz	DSCFEOLJWIXXEK-YTQUADARSA-N	1	0	360.454	1.550	20	30		FDEDRO
CC(C)[C@H](CNC(=O)c1c(F)cc(C#N)cc1F)N1CC[NH+](C)CC1	ZINC000153166850	525128621	/nfs/dbraw/zinc/12/86/21/525128621.db2.gz	RIBCBBCRTNWCCQ-INIZCTEOSA-N	1	0	350.413	1.838	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)c1c(F)cc(C#N)cc1F)N1CC[NH+](C)CC1	ZINC000153166732	525129754	/nfs/dbraw/zinc/12/97/54/525129754.db2.gz	RIBCBBCRTNWCCQ-MRXNPFEDSA-N	1	0	350.413	1.838	20	30		FDEDRO
CCOCCCNC(=O)C1CC[NH+](Cc2cnc3ccc(C#N)cn23)CC1	ZINC000153188955	525134909	/nfs/dbraw/zinc/13/49/09/525134909.db2.gz	SUJUJZVWWNDLCL-UHFFFAOYSA-N	1	0	369.469	1.961	20	30		FDEDRO
N#CCCN(CCN1CCOCC1)C(=O)Nc1cnn(CC(F)F)c1	ZINC000177063015	525229262	/nfs/dbraw/zinc/22/92/62/525229262.db2.gz	YWPAVOQQHPRKDG-UHFFFAOYSA-N	1	0	356.377	1.228	20	30		FDEDRO
CC[C@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)CCN1CC(F)F	ZINC000153561256	525248159	/nfs/dbraw/zinc/24/81/59/525248159.db2.gz	LSAJNEHYIPTYFQ-HOTGVXAUSA-N	1	0	353.413	1.959	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC2CCN(c3cc(CC)ncn3)CC2)CC1	ZINC000177173730	525251357	/nfs/dbraw/zinc/25/13/57/525251357.db2.gz	DLKJTPVMQQKXNZ-UHFFFAOYSA-N	1	0	355.486	1.469	20	30		FDEDRO
CC[NH+]=C(NC[C@@H](O)c1ccc(F)cc1)N[C@@H]1CCCn2nc(C)nc21	ZINC000153616172	525265444	/nfs/dbraw/zinc/26/54/44/525265444.db2.gz	XVZMQRFPGXZPTQ-HZPDHXFCSA-N	1	0	360.437	1.849	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCOC1	ZINC000162646554	525290830	/nfs/dbraw/zinc/29/08/30/525290830.db2.gz	XTVYQYQCVPFQJG-GOEBONIOSA-N	1	0	362.474	1.966	20	30		FDEDRO
N#CC1(NC(=O)C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)CCCCC1	ZINC000102700928	525300535	/nfs/dbraw/zinc/30/05/35/525300535.db2.gz	JYQGFXWVMHDNGL-IBGZPJMESA-N	1	0	370.497	1.992	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000177512238	525301885	/nfs/dbraw/zinc/30/18/85/525301885.db2.gz	ZGOXGTKXZKOIQQ-HZPDHXFCSA-N	1	0	366.506	1.210	20	30		FDEDRO
C=CCOc1ccc(C[N@@H+](CC(=O)N2CCNC(=O)C2)C(C)(C)C)cc1	ZINC000177849030	525353477	/nfs/dbraw/zinc/35/34/77/525353477.db2.gz	LUDSUQOBAYECPT-UHFFFAOYSA-N	1	0	359.470	1.810	20	30		FDEDRO
CC[NH+]=C(NCc1cn(C)nc1C(F)(F)F)N[C@H]1CCc2ncnn2C1	ZINC000153921949	525363194	/nfs/dbraw/zinc/36/31/94/525363194.db2.gz	WBTFSQSSQMVQDJ-NSHDSACASA-N	1	0	370.383	1.101	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NCC[N@@H+](C)[C@H](C)CC)c1	ZINC000104103676	525393924	/nfs/dbraw/zinc/39/39/24/525393924.db2.gz	HPWKOBVMLGOPPJ-CQSZACIVSA-N	1	0	353.488	1.611	20	30		FDEDRO
C#CCC[NH+]1CCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1	ZINC000127375267	525415419	/nfs/dbraw/zinc/41/54/19/525415419.db2.gz	FJMBZWWVUACLSY-UHFFFAOYSA-N	1	0	360.414	1.573	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)N1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1	ZINC000178391585	525419123	/nfs/dbraw/zinc/41/91/23/525419123.db2.gz	JZDADGYCOSYZBJ-XUKPUBBXSA-N	1	0	372.469	1.236	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1	ZINC000127421808	525419728	/nfs/dbraw/zinc/41/97/28/525419728.db2.gz	RSGXMDYKLQEWHU-ZWKOTPCHSA-N	1	0	363.483	1.604	20	30		FDEDRO
N#Cc1ncn(CC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)n1	ZINC000178498381	525437930	/nfs/dbraw/zinc/43/79/30/525437930.db2.gz	UQMKYGLUNDBJII-UHFFFAOYSA-N	1	0	352.442	1.317	20	30		FDEDRO
CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000118116430	525458551	/nfs/dbraw/zinc/45/85/51/525458551.db2.gz	XOERNAQXHVUGGF-LLVKDONJSA-N	1	0	368.384	1.945	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2CC)cc1	ZINC000118124809	525473927	/nfs/dbraw/zinc/47/39/27/525473927.db2.gz	LUPAROVEYGJENX-KRWDZBQOSA-N	1	0	372.469	1.532	20	30		FDEDRO
C=C(C)COCCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1	ZINC000127988121	525489483	/nfs/dbraw/zinc/48/94/83/525489483.db2.gz	VLGFRBVNVQMTAI-JWTNVVGKSA-N	1	0	350.507	1.532	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCS[C@@H](C)[C@@H]3C)CC2)o1	ZINC000118412784	525500833	/nfs/dbraw/zinc/50/08/33/525500833.db2.gz	HSISPQRKTFDDBL-STQMWFEESA-N	1	0	363.487	1.329	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)CC1	ZINC000178903825	525502149	/nfs/dbraw/zinc/50/21/49/525502149.db2.gz	JYKJRGKXBWPBIZ-CYBMUJFWSA-N	1	0	362.396	1.489	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)CC1	ZINC000178919131	525505212	/nfs/dbraw/zinc/50/52/12/525505212.db2.gz	SILPALRXFBHUJU-IAGOWNOFSA-N	1	0	363.458	1.764	20	30		FDEDRO
C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)CNc2ccc(C#N)cc2)cc1	ZINC000164718065	525525600	/nfs/dbraw/zinc/52/56/00/525525600.db2.gz	YMPIMJPWIWJXHR-GOSISDBHSA-N	1	0	368.437	1.910	20	30		FDEDRO
C[NH+]=C(NCCN1CCc2sccc2C1)N1CCO[C@@H](COC)C1	ZINC000179263631	525549968	/nfs/dbraw/zinc/54/99/68/525549968.db2.gz	QLZYYMYCGJUIFT-OAHLLOKOSA-N	1	0	352.504	1.029	20	30		FDEDRO
C[NH+]=C(NCc1ccc(-n2ccnc2)c(F)c1)N1CCO[C@H](COC)C1	ZINC000179265488	525550652	/nfs/dbraw/zinc/55/06/52/525550652.db2.gz	QKFURZYBIJBLAQ-HNNXBMFYSA-N	1	0	361.421	1.434	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1	ZINC000106038471	525553371	/nfs/dbraw/zinc/55/33/71/525553371.db2.gz	SEYYJNXWARHLMJ-UHFFFAOYSA-N	1	0	370.413	1.946	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)Sc2nnnn2C2CC2)CC1	ZINC000106034917	525554293	/nfs/dbraw/zinc/55/42/93/525554293.db2.gz	BJPGOHRPQFPTLV-GFCCVEGCSA-N	1	0	350.492	1.645	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1	ZINC000106039752	525554503	/nfs/dbraw/zinc/55/45/03/525554503.db2.gz	VHBNXVOYTVLEQZ-IRXDYDNUSA-N	1	0	361.486	1.708	20	30		FDEDRO
COc1cc([C@@H](C)[NH2+]CC(=O)NCC#N)ccc1OCc1ccncc1	ZINC000179703971	525618917	/nfs/dbraw/zinc/61/89/17/525618917.db2.gz	FXDVORNXOAETHI-CQSZACIVSA-N	1	0	354.410	1.960	20	30		FDEDRO
N#CCSc1ccccc1NC(=O)CN1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000129234986	525632066	/nfs/dbraw/zinc/63/20/66/525632066.db2.gz	PZBJPBNLEBCSON-INIZCTEOSA-N	1	0	374.510	1.895	20	30		FDEDRO
C=C[C@H](C)Nc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-]	ZINC000129309532	525639954	/nfs/dbraw/zinc/63/99/54/525639954.db2.gz	YLWQJFXORWHJCM-LBPRGKRZSA-N	1	0	356.448	1.811	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCCC[N@@H+]2CCc3ccccc3C2)cn1	ZINC000170659952	525666655	/nfs/dbraw/zinc/66/66/55/525666655.db2.gz	JMOJGCKGQMAUHQ-UHFFFAOYSA-N	1	0	356.451	1.680	20	30		FDEDRO
C=C[C@@H](C)NC(=O)C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000119233301	525679124	/nfs/dbraw/zinc/67/91/24/525679124.db2.gz	DJTQKBRUASMMKW-NVXWUHKLSA-N	1	0	367.453	1.959	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1	ZINC000106275156	525686618	/nfs/dbraw/zinc/68/66/18/525686618.db2.gz	GPNMLROFKQGTQI-UHFFFAOYSA-N	1	0	360.458	1.788	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C#N)ccc2C)CC1	ZINC000170708568	525690205	/nfs/dbraw/zinc/69/02/05/525690205.db2.gz	OSAIVZSDMLHWHX-UHFFFAOYSA-N	1	0	358.442	1.422	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](O)COc2ccc(F)cc2)CC1	ZINC000106340585	525698067	/nfs/dbraw/zinc/69/80/67/525698067.db2.gz	OLBGTSOZWVWKHX-QGZVFWFLSA-N	1	0	365.449	1.905	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1	ZINC000170779829	525712653	/nfs/dbraw/zinc/71/26/53/525712653.db2.gz	UXESSCXYJLPQCX-DLBZAZTESA-N	1	0	356.470	1.966	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000130382017	525749794	/nfs/dbraw/zinc/74/97/94/525749794.db2.gz	ZTQBBRQKRKLUMV-UHFFFAOYSA-N	1	0	353.422	1.086	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(O)(C(F)(F)F)CC2)cc1	ZINC000119470775	525757709	/nfs/dbraw/zinc/75/77/09/525757709.db2.gz	WXNKNYXYICSICZ-CQSZACIVSA-N	1	0	358.360	1.882	20	30		FDEDRO
C[C@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)C[NH+]1CCN(C)CC1	ZINC000130471933	525759541	/nfs/dbraw/zinc/75/95/41/525759541.db2.gz	LYXKJTZNZAMVDM-MRXNPFEDSA-N	1	0	358.486	1.715	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)CN1CC[NH+](C)CC1	ZINC000106582861	525762973	/nfs/dbraw/zinc/76/29/73/525762973.db2.gz	RGLIDDGDKPXTTL-QGZVFWFLSA-N	1	0	355.486	1.892	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1	ZINC000106582378	525764018	/nfs/dbraw/zinc/76/40/18/525764018.db2.gz	SZIOVXPIMLTUSK-KRWDZBQOSA-N	1	0	373.501	1.352	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCCNC(=O)c2ccccc2)cc1OC	ZINC000170910388	525764614	/nfs/dbraw/zinc/76/46/14/525764614.db2.gz	XCBQCVCRLAVKDU-UHFFFAOYSA-N	1	0	370.453	1.581	20	30		FDEDRO
[NH2+]=C(NCC(=O)NCC(F)(F)F)Nc1ccc(OC(F)(F)F)cc1	ZINC000170907965	525765242	/nfs/dbraw/zinc/76/52/42/525765242.db2.gz	GSJGANQPKZORAO-UHFFFAOYSA-N	1	0	358.242	1.990	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2cccnc2-n2ccnc2)CC1	ZINC000170912421	525767597	/nfs/dbraw/zinc/76/75/97/525767597.db2.gz	JPKGHQXKJNJPJY-UHFFFAOYSA-N	1	0	371.445	1.293	20	30		FDEDRO
[NH2+]=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccccn1	ZINC000170913326	525768592	/nfs/dbraw/zinc/76/85/92/525768592.db2.gz	LOWXPHTVQKYQSR-UHFFFAOYSA-N	1	0	373.482	1.909	20	30		FDEDRO
CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)cc1	ZINC000181020158	525792043	/nfs/dbraw/zinc/79/20/43/525792043.db2.gz	KWMDXQSHVMYISX-SJKOYZFVSA-N	1	0	364.471	1.054	20	30		FDEDRO
C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1	ZINC000181042842	525796401	/nfs/dbraw/zinc/79/64/01/525796401.db2.gz	QXNNDGRSIDGMJW-PKOBYXMFSA-N	1	0	371.481	1.282	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)[C@H]1CCSC1	ZINC000155320568	525823467	/nfs/dbraw/zinc/82/34/67/525823467.db2.gz	DCGAMENKZLLSGL-HNNXBMFYSA-N	1	0	362.474	1.783	20	30		FDEDRO
C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CNC(=O)c2ccc(C#N)cc2)C1	ZINC000171115349	525854911	/nfs/dbraw/zinc/85/49/11/525854911.db2.gz	DHSTUEKVSMMKMT-OAHLLOKOSA-N	1	0	356.470	1.915	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@H](C)c3cccc(O)c3)CC2)o1	ZINC000181583774	525875119	/nfs/dbraw/zinc/87/51/19/525875119.db2.gz	PYTQZAVFCTZCKK-CYBMUJFWSA-N	1	0	369.425	1.560	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(CC(=O)N(CCC#N)c3ccccc3)C2)CC1	ZINC000107371369	525879352	/nfs/dbraw/zinc/87/93/52/525879352.db2.gz	GVILZXFPAPNYSH-FQEVSTJZSA-N	1	0	369.513	1.645	20	30		FDEDRO
CC[C@H]([NH2+]CCC(=O)N(C)CCC#N)c1cccc(S(N)(=O)=O)c1	ZINC000181749337	525918674	/nfs/dbraw/zinc/91/86/74/525918674.db2.gz	PVIKINBDDXZLOP-HNNXBMFYSA-N	1	0	352.460	1.137	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(C)[C@H](C)CC#N)c(C)c2)CC1	ZINC000132084998	525934290	/nfs/dbraw/zinc/93/42/90/525934290.db2.gz	ISRVLVWSPWHQBQ-MRXNPFEDSA-N	1	0	371.485	1.836	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000181876109	525966418	/nfs/dbraw/zinc/96/64/18/525966418.db2.gz	IGSIJJHWVINMBC-GJZGRUSLSA-N	1	0	354.410	1.389	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1	ZINC000181904155	525977427	/nfs/dbraw/zinc/97/74/27/525977427.db2.gz	MPDJWSVSOXJEEH-MELADBBJSA-N	1	0	356.426	1.657	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(C(=O)NC(C)C)cc2)c1C#N	ZINC000133359658	526051338	/nfs/dbraw/zinc/05/13/38/526051338.db2.gz	FWGYKEYJRKBESX-UHFFFAOYSA-N	1	0	368.441	1.824	20	30		FDEDRO
C=CCn1c(C)cc(C(=O)CN2CCC(C(=O)NCC[NH+](C)C)CC2)c1C	ZINC000171657881	526063198	/nfs/dbraw/zinc/06/31/98/526063198.db2.gz	HPOLEFOEARKGHB-UHFFFAOYSA-N	1	0	374.529	1.863	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2[C@@H]3CC[C@H]2C[N@H+](CC)CC3)c1	ZINC000133501910	526067152	/nfs/dbraw/zinc/06/71/52/526067152.db2.gz	BCJFRZWXSZQWMX-SJORKVTESA-N	1	0	355.438	1.722	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2nn(-c3ccccc3)c(C)cc2=O)CC1	ZINC000171722535	526094357	/nfs/dbraw/zinc/09/43/57/526094357.db2.gz	JPQQSSSXEWZSDN-UHFFFAOYSA-N	1	0	352.438	1.921	20	30		FDEDRO
N#Cc1ccc(F)c(CS(=O)(=O)N2CCN(c3cc[nH+]cc3)CC2)c1	ZINC000120518781	526095053	/nfs/dbraw/zinc/09/50/53/526095053.db2.gz	NJFUQFCYTHZACJ-UHFFFAOYSA-N	1	0	360.414	1.744	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCCCNC(=O)c2cccs2)CC1	ZINC000171729176	526099401	/nfs/dbraw/zinc/09/94/01/526099401.db2.gz	QNQBAAZRJUMNDR-UHFFFAOYSA-N	1	0	350.488	1.818	20	30		FDEDRO
CCc1cccc(CC)c1NC(=[NH2+])NC[C@H]1CCN(S(C)(=O)=O)C1	ZINC000133842683	526099703	/nfs/dbraw/zinc/09/97/03/526099703.db2.gz	VIXZINAKIXEUMK-CYBMUJFWSA-N	1	0	352.504	1.820	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)CC1	ZINC000171740871	526104037	/nfs/dbraw/zinc/10/40/37/526104037.db2.gz	KGZDZXKEEXYYHX-UHFFFAOYSA-N	1	0	372.469	1.931	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCc3nccs3)=[NH+]C[C@H]2C1	ZINC000133904115	526106686	/nfs/dbraw/zinc/10/66/86/526106686.db2.gz	NCZNJDGSPYFZNP-LBPRGKRZSA-N	1	0	351.476	1.566	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NC[C@@H]2CC(=O)N(C3CC3)C2)cc1OC	ZINC000182372294	526150647	/nfs/dbraw/zinc/15/06/47/526150647.db2.gz	TWVYXSGFJWKURX-AWEZNQCLSA-N	1	0	360.458	1.162	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)cc1	ZINC000120785496	526182670	/nfs/dbraw/zinc/18/26/70/526182670.db2.gz	UZDMNLZPCPPQPA-MRXNPFEDSA-N	1	0	362.455	1.043	20	30		FDEDRO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[NH2+]C2(CO)CCCC2)CC1	ZINC000182960163	535894782	/nfs/dbraw/zinc/89/47/82/535894782.db2.gz	ZPXDQKSBUVMFFM-HNNXBMFYSA-N	1	0	362.499	1.352	20	30		FDEDRO
C=CC[C@@H](CO)NC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000183154403	535930740	/nfs/dbraw/zinc/93/07/40/535930740.db2.gz	HFBHNSNDXFSPDN-SFHVURJKSA-N	1	0	360.502	1.825	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1	ZINC000183201308	535941701	/nfs/dbraw/zinc/94/17/01/535941701.db2.gz	KXSGAKDTNDLLHC-MRXNPFEDSA-N	1	0	374.485	1.209	20	30		FDEDRO
C=CCN1CCC([NH2+][C@H](C)CC(=O)N2CCC(C(=O)OCC)CC2)CC1	ZINC000183499681	535991908	/nfs/dbraw/zinc/99/19/08/535991908.db2.gz	NMARCKZFJCJVKL-MRXNPFEDSA-N	1	0	365.518	1.807	20	30		FDEDRO
C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)CSCc1ccc(C#N)cc1	ZINC000184343908	536137410	/nfs/dbraw/zinc/13/74/10/536137410.db2.gz	BIVRNNZEFNZTIT-INIZCTEOSA-N	1	0	360.527	1.934	20	30		FDEDRO
C=C(C)CS(=O)(=O)NCc1ccccc1CN1CC[NH+](CC)CC1	ZINC000184378918	536141413	/nfs/dbraw/zinc/14/14/13/536141413.db2.gz	UKLMEPNNLDXRAO-UHFFFAOYSA-N	1	0	351.516	1.820	20	30		FDEDRO
C[C@@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)CN1CC[NH+](C)CC1	ZINC000184927322	536191750	/nfs/dbraw/zinc/19/17/50/536191750.db2.gz	KFXSGCRZOYADMW-ZDUSSCGKSA-N	1	0	370.906	1.373	20	30		FDEDRO
N#C[C@H]1CCC[C@@H]([NH2+][C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1	ZINC000185815995	536218399	/nfs/dbraw/zinc/21/83/99/536218399.db2.gz	XLTBGMWGNLPOEW-KSZLIROESA-N	1	0	370.501	1.954	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)NC1CCC(C[NH+](C)C)CC1	ZINC000185869085	536219747	/nfs/dbraw/zinc/21/97/47/536219747.db2.gz	LDYMDXKUJPNHPK-UHFFFAOYSA-N	1	0	351.472	1.966	20	30		FDEDRO
CC(C)(CC(N)=O)[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000186237552	536229761	/nfs/dbraw/zinc/22/97/61/536229761.db2.gz	IJCWBQUBUPNNGU-UHFFFAOYSA-N	1	0	355.360	1.417	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C	ZINC000186878635	536247300	/nfs/dbraw/zinc/24/73/00/536247300.db2.gz	SCTTXFJJNWGHTM-ZDUSSCGKSA-N	1	0	374.485	1.100	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C	ZINC000187365740	536263530	/nfs/dbraw/zinc/26/35/30/536263530.db2.gz	JBNATCGAVGXBLF-INIZCTEOSA-N	1	0	357.454	1.970	20	30		FDEDRO
CCN(CCC#N)C(=O)CN(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000188284471	536288501	/nfs/dbraw/zinc/28/85/01/536288501.db2.gz	LMPLMYUPFKLCDJ-HXUWFJFHSA-N	1	0	358.486	1.317	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000188398924	536292124	/nfs/dbraw/zinc/29/21/24/536292124.db2.gz	QZTGQTIZJWRATC-UHFFFAOYSA-N	1	0	369.381	1.771	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@]2(CO)C[C@H](OCC)C2(C)C)CC1	ZINC000188565686	536903905	/nfs/dbraw/zinc/90/39/05/536903905.db2.gz	GVHMDMOUJWUDIE-QFBILLFUSA-N	1	0	353.507	1.892	20	30		FDEDRO
C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)C1	ZINC000246323956	536927153	/nfs/dbraw/zinc/92/71/53/536927153.db2.gz	XDWSLAJSHFLNOG-DBROBJPSSA-N	1	0	354.454	1.938	20	30		FDEDRO
CC(C)N1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1=O	ZINC000267556788	536978829	/nfs/dbraw/zinc/97/88/29/536978829.db2.gz	FBJZLWCZGNPLQW-SFHVURJKSA-N	1	0	371.485	1.641	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000246621410	536991625	/nfs/dbraw/zinc/99/16/25/536991625.db2.gz	MXZHGEJEZKFXBZ-WMZOPIPTSA-N	1	0	356.470	1.929	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1	ZINC000189135402	537003055	/nfs/dbraw/zinc/00/30/55/537003055.db2.gz	LJWZZIOVANNNKB-MRXNPFEDSA-N	1	0	371.485	1.381	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)NCC1(CO)CCOCC1)C(C)C	ZINC000269719060	537021831	/nfs/dbraw/zinc/02/18/31/537021831.db2.gz	SMXWYCSKZIPPFP-QGZVFWFLSA-N	1	0	353.507	1.773	20	30		FDEDRO
Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2ccn(CCC#N)n2)o1	ZINC000189367176	537034879	/nfs/dbraw/zinc/03/48/79/537034879.db2.gz	YFRLPNCAHIJMAD-UHFFFAOYSA-N	1	0	372.429	1.227	20	30		FDEDRO
CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C1	ZINC000246988960	537063874	/nfs/dbraw/zinc/06/38/74/537063874.db2.gz	GMUJZOLVSIYLGK-BFYDXBDKSA-N	1	0	371.489	1.297	20	30		FDEDRO
C[C@@H](O)C[N@@H+]1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)C1	ZINC000189553865	537064433	/nfs/dbraw/zinc/06/44/33/537064433.db2.gz	JKLUDEULYMRXRU-CHWSQXEVSA-N	1	0	350.850	1.537	20	30		FDEDRO
CCCC(=O)NC[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000263771454	537094826	/nfs/dbraw/zinc/09/48/26/537094826.db2.gz	SSCGLMNFDSHTDX-ZWKOTPCHSA-N	1	0	359.470	1.926	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C	ZINC000247483514	537124460	/nfs/dbraw/zinc/12/44/60/537124460.db2.gz	SYZWECFMGCBYTN-FZKQIMNGSA-N	1	0	368.485	1.949	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCCC[C@H]1CN1CCOCC1	ZINC000247543207	537131893	/nfs/dbraw/zinc/13/18/93/537131893.db2.gz	PHJOBNMWFIFVNX-MSOLQXFVSA-N	1	0	362.518	1.904	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(OC)cc2C(=O)NC2CC2)CC1	ZINC000264563260	537145643	/nfs/dbraw/zinc/14/56/43/537145643.db2.gz	YZGFROKTKWYKHU-UHFFFAOYSA-N	1	0	355.438	1.871	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)CC1	ZINC000264708747	537147607	/nfs/dbraw/zinc/14/76/07/537147607.db2.gz	SAOUHZPPLBRPBI-MRXNPFEDSA-N	1	0	359.857	1.907	20	30		FDEDRO
CC[C@@H]1CN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1C[C@H](C)O	ZINC000247815946	537152390	/nfs/dbraw/zinc/15/23/90/537152390.db2.gz	WGLRZHHZLRFHFS-WDYCEAGBSA-N	1	0	356.470	1.441	20	30		FDEDRO
CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000248699265	537207153	/nfs/dbraw/zinc/20/71/53/537207153.db2.gz	DSYMLECCCGXEKH-QAPCUYQASA-N	1	0	371.485	1.689	20	30		FDEDRO
CCn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)n1	ZINC000191614562	537208787	/nfs/dbraw/zinc/20/87/87/537208787.db2.gz	JXOOUXGYVZDXOI-UHFFFAOYSA-N	1	0	370.413	1.887	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(C)C	ZINC000248847394	537215956	/nfs/dbraw/zinc/21/59/56/537215956.db2.gz	BDHRRIIPLLLMAB-IXDOHACOSA-N	1	0	359.536	1.629	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1	ZINC000192143927	537221094	/nfs/dbraw/zinc/22/10/94/537221094.db2.gz	JWCCCHYQIUEJOL-WKPIXPDZSA-N	1	0	353.369	1.785	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N3CC[N@@H+]4CCC[C@H]4C3)C2=O)cc1	ZINC000248987169	537224013	/nfs/dbraw/zinc/22/40/13/537224013.db2.gz	GMRVVKRRZOPFGS-ROUUACIJSA-N	1	0	367.453	1.149	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(c2ncccc2C#N)CC1)[N@@H+]1CCC[C@@H](C)C1	ZINC000249520792	537237617	/nfs/dbraw/zinc/23/76/17/537237617.db2.gz	MNQHRTVUSIRFHB-IAGOWNOFSA-N	1	0	370.501	1.905	20	30		FDEDRO
C[NH+]=C(NCc1ncc(C(C)(C)C)o1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261990014	537253560	/nfs/dbraw/zinc/25/35/60/537253560.db2.gz	RBCZBRLCKIXCHC-UHFFFAOYSA-N	1	0	356.492	1.557	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1	ZINC000272511652	537290450	/nfs/dbraw/zinc/29/04/50/537290450.db2.gz	OVPXZHKTHADASO-RDBSUJKOSA-N	1	0	368.478	1.622	20	30		FDEDRO
C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3F)C2)CC1	ZINC000270294744	537307443	/nfs/dbraw/zinc/30/74/43/537307443.db2.gz	ZQJRJOPBNACUPY-HNNXBMFYSA-N	1	0	358.417	1.826	20	30		FDEDRO
C#CCN(Cc1ccc(F)cc1)C(=O)NCCN1CCC([NH+](C)C)CC1	ZINC000270382858	537320555	/nfs/dbraw/zinc/32/05/55/537320555.db2.gz	KRAPVQCQBOEFJF-UHFFFAOYSA-N	1	0	360.477	1.997	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1	ZINC000290337468	537325036	/nfs/dbraw/zinc/32/50/36/537325036.db2.gz	XEFVHOMNMCDSEW-UHFFFAOYSA-N	1	0	362.405	1.253	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000283073924	537349543	/nfs/dbraw/zinc/34/95/43/537349543.db2.gz	VBFPFIZZABQXHA-RDJZCZTQSA-N	1	0	350.488	1.719	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1	ZINC000283115915	537355608	/nfs/dbraw/zinc/35/56/08/537355608.db2.gz	YMBHPJHJSPPCIV-KBPBESRZSA-N	1	0	356.517	1.953	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@@H](C)CC(=O)Nc1cc(OC)ccc1OC	ZINC000272906981	537356612	/nfs/dbraw/zinc/35/66/12/537356612.db2.gz	WBLXNLIIRJQBSC-ZDUSSCGKSA-N	1	0	370.471	1.611	20	30		FDEDRO
C[NH+](C)CCn1cc(NC(=O)Cc2cccc(OCC#N)c2)ccc1=O	ZINC000270559391	537357100	/nfs/dbraw/zinc/35/71/00/537357100.db2.gz	PJOLPALLPMSSPP-UHFFFAOYSA-N	1	0	354.410	1.493	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@H](C)CC(=O)Nc1cc(OC)ccc1OC	ZINC000272906979	537357781	/nfs/dbraw/zinc/35/77/81/537357781.db2.gz	WBLXNLIIRJQBSC-CYBMUJFWSA-N	1	0	370.471	1.611	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(N3CCC3=O)c2)CC1	ZINC000280043464	537364818	/nfs/dbraw/zinc/36/48/18/537364818.db2.gz	ZMHFRXMFDWMOPD-UHFFFAOYSA-N	1	0	370.453	1.519	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)CCc2ccc(O)cc2)CC1	ZINC000283302651	537367141	/nfs/dbraw/zinc/36/71/41/537367141.db2.gz	CXNRYYRMMDCUOF-HNNXBMFYSA-N	1	0	359.470	1.596	20	30		FDEDRO
CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000363966425	537379826	/nfs/dbraw/zinc/37/98/26/537379826.db2.gz	QVHMFKPOQQLIEW-YJBOKZPZSA-N	1	0	356.470	1.896	20	30		FDEDRO
COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@H+](CCCSCC#N)C1	ZINC000364788392	537397696	/nfs/dbraw/zinc/39/76/96/537397696.db2.gz	JQMVOOBFMGBZDO-AWEZNQCLSA-N	1	0	365.503	1.612	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)NCCCCOCC)C(C)C	ZINC000283981999	537399710	/nfs/dbraw/zinc/39/97/10/537399710.db2.gz	HDWNRJPFYQXRRU-KRWDZBQOSA-N	1	0	353.507	1.734	20	30		FDEDRO
C=CCN1CC[C@@H](N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1=O	ZINC000286008666	537401160	/nfs/dbraw/zinc/40/11/60/537401160.db2.gz	PGTUTZANQBPPCA-NHCUHLMSSA-N	1	0	368.525	1.665	20	30		FDEDRO
C=CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1	ZINC000273372447	537439159	/nfs/dbraw/zinc/43/91/59/537439159.db2.gz	CFQZDQAFFONXMC-IBGZPJMESA-N	1	0	373.497	1.953	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1	ZINC000299147133	537457640	/nfs/dbraw/zinc/45/76/40/537457640.db2.gz	KRAXYSSOZYLNMK-HNNXBMFYSA-N	1	0	362.495	1.955	20	30		FDEDRO
CC(C)[C@H](CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)[NH+]1CCN(C)CC1	ZINC000280841418	537471964	/nfs/dbraw/zinc/47/19/64/537471964.db2.gz	JKUPPONFXYDAIO-PMACEKPBSA-N	1	0	367.497	1.629	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1	ZINC000293473830	537480457	/nfs/dbraw/zinc/48/04/57/537480457.db2.gz	VBIBZGICRDJBCR-UHFFFAOYSA-N	1	0	372.469	1.143	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N(C)CCC[N@@H+](C)CCN(C)C)c1C#N	ZINC000288356728	537487077	/nfs/dbraw/zinc/48/70/77/537487077.db2.gz	JISPIYPDYOOPOQ-UHFFFAOYSA-N	1	0	352.504	1.371	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1	ZINC000293520821	537499661	/nfs/dbraw/zinc/49/96/61/537499661.db2.gz	YNNQQZDTBZGEJH-SFHVURJKSA-N	1	0	369.469	1.003	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1	ZINC000293548452	537509158	/nfs/dbraw/zinc/50/91/58/537509158.db2.gz	YORPTZPZVJBRJY-LJQANCHMSA-N	1	0	369.513	1.866	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1	ZINC000299256321	537515831	/nfs/dbraw/zinc/51/58/31/537515831.db2.gz	RSFPBKIZJPYQSH-HNNXBMFYSA-N	1	0	366.487	1.709	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)C1=O	ZINC000281252400	537520095	/nfs/dbraw/zinc/52/00/95/537520095.db2.gz	QIKKIGQYYOLQHL-KBXCAEBGSA-N	1	0	357.454	1.782	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NC(C)(C)CCC[NH3+])ccc1F	ZINC000293582634	537523990	/nfs/dbraw/zinc/52/39/90/537523990.db2.gz	DKXOHUGHCZUEGA-UHFFFAOYSA-N	1	0	357.451	1.537	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)CCCC[NH3+])ccc1F	ZINC000293595231	537529590	/nfs/dbraw/zinc/52/95/90/537529590.db2.gz	ZJYJHYKABKNKFW-GFCCVEGCSA-N	1	0	357.451	1.537	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](c3n[nH]cc3CN3CCOCC3)C2)C1=O	ZINC000281327806	537531175	/nfs/dbraw/zinc/53/11/75/537531175.db2.gz	LRBSGEUFAHBGQY-AEFFLSMTSA-N	1	0	373.501	1.208	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+][C@@H](CC)c1cccc(S(N)(=O)=O)c1	ZINC000272157952	537538091	/nfs/dbraw/zinc/53/80/91/537538091.db2.gz	YPYXSKGQIQAOES-INIZCTEOSA-N	1	0	351.472	1.575	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+][C@H](CC)c1cccc(S(N)(=O)=O)c1	ZINC000272157955	537538503	/nfs/dbraw/zinc/53/85/03/537538503.db2.gz	YPYXSKGQIQAOES-MRXNPFEDSA-N	1	0	351.472	1.575	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)CCCCN3CCOCC3)C2)nc1	ZINC000293660538	537554833	/nfs/dbraw/zinc/55/48/33/537554833.db2.gz	HRFJHBJBZZOPPN-QGZVFWFLSA-N	1	0	358.442	1.435	20	30		FDEDRO
C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NCCCC[NH+]1CCOCC1	ZINC000284816457	537575671	/nfs/dbraw/zinc/57/56/71/537575671.db2.gz	XXUJYAZTHZXLLQ-UHFFFAOYSA-N	1	0	373.497	1.820	20	30		FDEDRO
C=CCc1cc(C[NH2+][C@@H]2CCN(c3ccn(C)n3)C2=O)cc(OC)c1O	ZINC000360092831	537578216	/nfs/dbraw/zinc/57/82/16/537578216.db2.gz	LWRYMXQSOKURPR-OAHLLOKOSA-N	1	0	356.426	1.758	20	30		FDEDRO
C[C@H]1CN(C(=O)COc2ccccc2C#N)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000361202506	537591220	/nfs/dbraw/zinc/59/12/20/537591220.db2.gz	QTVHUUSDIVTNBL-WMZOPIPTSA-N	1	0	356.470	1.421	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C[NH3+])CC(C)C)ccc1F	ZINC000236600995	537591590	/nfs/dbraw/zinc/59/15/90/537591590.db2.gz	JIDVBHKBSSEGDM-CYBMUJFWSA-N	1	0	357.451	1.393	20	30		FDEDRO
COC(=O)c1ccc(CNC(=[NH2+])NCCc2ccc(OC)c(OC)c2)o1	ZINC000276614044	537592704	/nfs/dbraw/zinc/59/27/04/537592704.db2.gz	JRTUPVUQLWYNLB-UHFFFAOYSA-N	1	0	361.398	1.730	20	30		FDEDRO
C=CCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000289833546	537594786	/nfs/dbraw/zinc/59/47/86/537594786.db2.gz	WYPVHSQWSJSHRF-JKSUJKDBSA-N	1	0	360.506	1.720	20	30		FDEDRO
Cc1cnn([C@@H]2CCN(CC#CC[N@@H+]3CC[C@@H](n4cc(C)cn4)C3)C2)c1	ZINC000289869952	537610707	/nfs/dbraw/zinc/61/07/07/537610707.db2.gz	LROBCXDQZOCOJZ-WOJBJXKFSA-N	1	0	352.486	1.894	20	30		FDEDRO
N#Cc1cc(Br)ccc1CN1C(=O)N[C@]2(CCC[NH2+]C2)C1=O	ZINC000320758783	537612626	/nfs/dbraw/zinc/61/26/26/537612626.db2.gz	BHHVFWOQRSKMOM-HNNXBMFYSA-N	1	0	363.215	1.495	20	30		FDEDRO
CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000277915057	537623795	/nfs/dbraw/zinc/62/37/95/537623795.db2.gz	QZDYJQOONZOYRN-RHSMWYFYSA-N	1	0	356.470	1.942	20	30		FDEDRO
CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000277915084	537624064	/nfs/dbraw/zinc/62/40/64/537624064.db2.gz	QZDYJQOONZOYRN-YOEHRIQHSA-N	1	0	356.470	1.942	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1ccc(S(=O)(=O)N[C@H](C)CC)cc1	ZINC000293916942	537624384	/nfs/dbraw/zinc/62/43/84/537624384.db2.gz	GNFMPQXMYAYKHM-OAHLLOKOSA-N	1	0	365.499	1.448	20	30		FDEDRO
C#CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C(=O)NC(=O)NCC(F)(F)F	ZINC000285129848	537624691	/nfs/dbraw/zinc/62/46/91/537624691.db2.gz	NWKMAHBUQGDFAV-JSGCOSHPSA-N	1	0	355.360	1.987	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c1	ZINC000237375045	537625320	/nfs/dbraw/zinc/62/53/20/537625320.db2.gz	GABGZMPERCKTDX-CJNGLKHVSA-N	1	0	351.472	1.493	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCCN1c1ncnc2sccc21	ZINC000293953047	537630825	/nfs/dbraw/zinc/63/08/25/537630825.db2.gz	KEGLTENSZBSHKS-HNNXBMFYSA-N	1	0	357.483	1.731	20	30		FDEDRO
C[C@H](OC[C@@H]1CCCO1)C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1	ZINC000329165867	537634796	/nfs/dbraw/zinc/63/47/96/537634796.db2.gz	HSTVFQJPXMDWIA-BPUTZDHNSA-N	1	0	353.463	1.222	20	30		FDEDRO
CC(=O)N1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C	ZINC000329174614	537635622	/nfs/dbraw/zinc/63/56/22/537635622.db2.gz	BBMPEUBCERWXBE-HMQMGEFJSA-N	1	0	364.490	1.428	20	30		FDEDRO
O=C(CN1C(=O)NC2(CCCCC2)C1=O)N[C@H](CO)C[NH+]1CCCCC1	ZINC000329175206	537635831	/nfs/dbraw/zinc/63/58/31/537635831.db2.gz	LZXCIAJBYBCDNR-AWEZNQCLSA-N	1	0	366.462	1.249	20	30		FDEDRO
CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC2CCN(C(C)=O)CC2)C1	ZINC000329178700	537635945	/nfs/dbraw/zinc/63/59/45/537635945.db2.gz	MJUFEQZCQDBKQO-IRXDYDNUSA-N	1	0	352.479	1.096	20	30		FDEDRO
C[C@H](O)C[C@@H]1COCCN1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000329861223	537644008	/nfs/dbraw/zinc/64/40/08/537644008.db2.gz	QCXRVNPJPNLKRM-DZOHQFGASA-N	1	0	369.506	1.140	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2nnc(C(C)(C)C)s2)C[C@@H]1C	ZINC000329864727	537644027	/nfs/dbraw/zinc/64/40/27/537644027.db2.gz	ZXDPPGUMWILBMR-RYUDHWBXSA-N	1	0	355.508	1.637	20	30		FDEDRO
C[NH+]1CCN(c2ccc(NC(=O)[C@H]3COCCN3CC(F)F)cn2)CC1	ZINC000329958208	537647614	/nfs/dbraw/zinc/64/76/14/537647614.db2.gz	MMLBIXFPLUGONZ-CQSZACIVSA-N	1	0	369.416	1.387	20	30		FDEDRO
CC(=O)N1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)[C@H](C)C1	ZINC000330057556	537650937	/nfs/dbraw/zinc/65/09/37/537650937.db2.gz	XRCQUGBPVKJXFE-OAHLLOKOSA-N	1	0	368.547	1.815	20	30		FDEDRO
COCCn1nnc2c1CCN(C(=O)NC1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2	ZINC000330346131	537653817	/nfs/dbraw/zinc/65/38/17/537653817.db2.gz	GBRWOESUEYSQGO-GOOCMWNKSA-N	1	0	362.478	1.212	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000292062373	537704673	/nfs/dbraw/zinc/70/46/73/537704673.db2.gz	WSSQISATXITPBG-IRXDYDNUSA-N	1	0	357.458	1.848	20	30		FDEDRO
CN(CC[N@H+](C)Cc1ccc(C#N)cc1)c1ccc(S(N)(=O)=O)cc1	ZINC000294927361	537709556	/nfs/dbraw/zinc/70/95/56/537709556.db2.gz	BJBBVBNKQHWESC-UHFFFAOYSA-N	1	0	358.467	1.774	20	30		FDEDRO
CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1	ZINC000295984017	537713833	/nfs/dbraw/zinc/71/38/33/537713833.db2.gz	DFVUXDGHDWNLAC-QGZVFWFLSA-N	1	0	372.469	1.389	20	30		FDEDRO
C[N@H+](CCNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)C1CCCC1	ZINC000292233981	537719880	/nfs/dbraw/zinc/71/98/80/537719880.db2.gz	JAVBRMCKAUXZTI-QGZVFWFLSA-N	1	0	357.458	1.990	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1CC=CCC1	ZINC000285676595	537745127	/nfs/dbraw/zinc/74/51/27/537745127.db2.gz	WVZCMGRUFCPXHG-SFHVURJKSA-N	1	0	368.481	1.921	20	30		FDEDRO
CC(C)[NH+]1CCN([C@H]2CCN(CC(=O)NC3(C#N)CCCCC3)C2)CC1	ZINC000375900713	537793882	/nfs/dbraw/zinc/79/38/82/537793882.db2.gz	HZWKTVSMWMLUNI-SFHVURJKSA-N	1	0	361.534	1.429	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CC(=O)NCc1cccc(C#N)c1	ZINC000371293901	537806313	/nfs/dbraw/zinc/80/63/13/537806313.db2.gz	IEZZQLJEKDABIW-GUDVDZBRSA-N	1	0	356.470	1.358	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000409517535	537858377	/nfs/dbraw/zinc/85/83/77/537858377.db2.gz	KIMXHKGIAQZUEH-HOTGVXAUSA-N	1	0	372.535	1.336	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)[C@H](C)n1cnc(C#N)n1)[N@@H+]1CCc2ccccc2C1	ZINC000409581344	537865424	/nfs/dbraw/zinc/86/54/24/537865424.db2.gz	SJWGUUDTHMMPJW-MAUKXSAKSA-N	1	0	366.469	1.910	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1	ZINC000418980371	537874170	/nfs/dbraw/zinc/87/41/70/537874170.db2.gz	AOXAMDHKZDFDRW-SFHVURJKSA-N	1	0	355.438	1.665	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)c(OC)c1	ZINC000366890327	537879466	/nfs/dbraw/zinc/87/94/66/537879466.db2.gz	ZJSNWTIVZSWSKI-BRWVUGGUSA-N	1	0	360.454	1.374	20	30		FDEDRO
C=CC[C@H](CC)NC(=O)C(=O)N(Cc1scnc1C)C[C@@H]1CC[NH2+]C1	ZINC000419137540	537953527	/nfs/dbraw/zinc/95/35/27/537953527.db2.gz	PHWFWKLZMAMDIS-CABCVRRESA-N	1	0	364.515	1.861	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)cc1	ZINC000377117426	537957178	/nfs/dbraw/zinc/95/71/78/537957178.db2.gz	AAVKSLBUACOQGV-XOKHGSTOSA-N	1	0	368.478	1.887	20	30		FDEDRO
COC[C@H](C)OC[C@@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000367583014	537962947	/nfs/dbraw/zinc/96/29/47/537962947.db2.gz	AMXMWFBNHNSWCS-HOCLYGCPSA-N	1	0	366.433	1.953	20	30		FDEDRO
N#CC1(c2ccc(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)cc2)CC1	ZINC000367693754	537968437	/nfs/dbraw/zinc/96/84/37/537968437.db2.gz	LGIYBELZQICNAN-IBGZPJMESA-N	1	0	368.481	1.378	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[N@@H+]([C@@H](C)CO)CC1	ZINC000368970868	537995070	/nfs/dbraw/zinc/99/50/70/537995070.db2.gz	ACENGPTWMOHWRO-ZWKOTPCHSA-N	1	0	358.486	1.710	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)c(OC)c1	ZINC000368974559	537995470	/nfs/dbraw/zinc/99/54/70/537995470.db2.gz	OBIHPWSXCMCJNC-INIZCTEOSA-N	1	0	362.470	1.718	20	30		FDEDRO
C[NH2+]CCCNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000415304743	537996836	/nfs/dbraw/zinc/99/68/36/537996836.db2.gz	HVKQEXJBSQZPTH-UHFFFAOYSA-N	1	0	358.320	1.164	20	30		FDEDRO
CCCc1c(NC(=O)C(=O)NCCC[NH2+]C)cnn1-c1cccc(C#N)c1	ZINC000415306125	537999487	/nfs/dbraw/zinc/99/94/87/537999487.db2.gz	KPQRYKSLDXQOTQ-UHFFFAOYSA-N	1	0	368.441	1.361	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CCN1C1CC1	ZINC000369231333	538007514	/nfs/dbraw/zinc/00/75/14/538007514.db2.gz	LRAHZXGLOMGXQT-HXUWFJFHSA-N	1	0	367.497	1.817	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000369235277	538007988	/nfs/dbraw/zinc/00/79/88/538007988.db2.gz	IFUBXDAGZGCIJF-MOPGFXCFSA-N	1	0	373.501	1.404	20	30		FDEDRO
CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000415420495	538039593	/nfs/dbraw/zinc/03/95/93/538039593.db2.gz	APXJLQPDZYBFCC-IBGZPJMESA-N	1	0	364.449	1.910	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)CN2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)c1C	ZINC000419333294	538045052	/nfs/dbraw/zinc/04/50/52/538045052.db2.gz	UCMBLHBNPGRGEG-MSOLQXFVSA-N	1	0	372.513	1.937	20	30		FDEDRO
N#C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@]12C(=O)Nc1ccccc12	ZINC000377982964	538054824	/nfs/dbraw/zinc/05/48/24/538054824.db2.gz	APUCNFSRFAZCFH-VBKZILBWSA-N	1	0	350.422	1.487	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)c1ccc(F)c(F)c1	ZINC000419681680	538090198	/nfs/dbraw/zinc/09/01/98/538090198.db2.gz	SBIKLHUSXCGYTN-KFNAQCHYSA-N	1	0	351.397	1.955	20	30		FDEDRO
Cc1nc(CN2CCC[C@@H]([NH2+][C@H](C)C(=O)NC3(C#N)CCCCC3)C2)no1	ZINC000370980074	538096327	/nfs/dbraw/zinc/09/63/27/538096327.db2.gz	SAARSFPCOYBVIJ-GDBMZVCRSA-N	1	0	374.489	1.663	20	30		FDEDRO
Cc1nc(CN2CCC[C@H]([NH2+][C@H](C)C(=O)NC3(C#N)CCCCC3)C2)no1	ZINC000370980077	538096411	/nfs/dbraw/zinc/09/64/11/538096411.db2.gz	SAARSFPCOYBVIJ-ZBFHGGJFSA-N	1	0	374.489	1.663	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)NCC[C@H]1CC[NH2+]C1	ZINC000419918043	538146535	/nfs/dbraw/zinc/14/65/35/538146535.db2.gz	TUWICTMJZQZNFB-KBAYOESNSA-N	1	0	354.454	1.401	20	30		FDEDRO
C=CCC[C@@H]1NC(=O)N(CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1=O	ZINC000419931405	538153929	/nfs/dbraw/zinc/15/39/29/538153929.db2.gz	CXLVOXSRPFZBSH-HNNXBMFYSA-N	1	0	364.490	1.500	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+]	ZINC000420016766	538187929	/nfs/dbraw/zinc/18/79/29/538187929.db2.gz	NOAQRJZMMPSWAU-HOCLYGCPSA-N	1	0	360.414	1.353	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)c1	ZINC000439873342	538201101	/nfs/dbraw/zinc/20/11/01/538201101.db2.gz	MUZRXERKACXWMF-UHFFFAOYSA-N	1	0	372.450	1.643	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1	ZINC000420088007	538210974	/nfs/dbraw/zinc/21/09/74/538210974.db2.gz	DDFKDZNVRKVVAV-PBHICJAKSA-N	1	0	365.424	1.951	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1	ZINC000420094942	538218575	/nfs/dbraw/zinc/21/85/75/538218575.db2.gz	HWJRPPZKCZMAQG-FQEVSTJZSA-N	1	0	372.469	1.039	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](CC)O[C@@H](CC)C2)CC1	ZINC000422299091	538218745	/nfs/dbraw/zinc/21/87/45/538218745.db2.gz	SWOVUUVQBNRLKG-CALCHBBNSA-N	1	0	351.491	1.559	20	30		FDEDRO
C=C(C)CN(C)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1	ZINC000420100944	538219874	/nfs/dbraw/zinc/21/98/74/538219874.db2.gz	NJHREFDTBJCNQU-CZUORRHYSA-N	1	0	351.397	1.561	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H](C)Cc2cccc(F)c2)CC1	ZINC000422300099	538221004	/nfs/dbraw/zinc/22/10/04/538221004.db2.gz	UUJCKGDPXMTHQX-OAHLLOKOSA-N	1	0	361.461	1.982	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1CC[NH+](C2CC2)CC1	ZINC000445097596	538225595	/nfs/dbraw/zinc/22/55/95/538225595.db2.gz	XDEYSAAYHUOEGL-UHFFFAOYSA-N	1	0	364.427	1.619	20	30		FDEDRO
CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc1	ZINC000424123912	538241817	/nfs/dbraw/zinc/24/18/17/538241817.db2.gz	LEKWUBQNHKPYSP-WFASDCNBSA-N	1	0	360.414	1.328	20	30		FDEDRO
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)NCCC1=CC[NH2+]CC1	ZINC000420162959	538243755	/nfs/dbraw/zinc/24/37/55/538243755.db2.gz	JOMOFNJMCRVLDV-OALUTQOASA-N	1	0	366.465	1.711	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@](O)(C(F)F)C2)c(OC)c1	ZINC000451442465	538257921	/nfs/dbraw/zinc/25/79/21/538257921.db2.gz	WDLQTWZDFRYTJI-KBXCAEBGSA-N	1	0	357.397	1.865	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CC(=O)N1CCC(C(=O)OCC)CC1	ZINC000424298006	538274562	/nfs/dbraw/zinc/27/45/62/538274562.db2.gz	RRZQHUJEFKADJG-XIRDDKMYSA-N	1	0	352.475	1.747	20	30		FDEDRO
Cn1cc([C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3C#N)C[C@H]2[NH3+])cn1	ZINC000424393903	538287024	/nfs/dbraw/zinc/28/70/24/538287024.db2.gz	RZNUNOAJWRKHDV-GXTWGEPZSA-N	1	0	365.846	1.061	20	30		FDEDRO
C=CCn1cc(CNC(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)nn1	ZINC000424910294	538357581	/nfs/dbraw/zinc/35/75/81/538357581.db2.gz	YKFJVPCKWJCQTF-UHFFFAOYSA-N	1	0	368.485	1.601	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1	ZINC000447245897	538361418	/nfs/dbraw/zinc/36/14/18/538361418.db2.gz	GRYYRIKSNAYXBN-USXIJHARSA-N	1	0	363.483	1.350	20	30		FDEDRO
N#C[C@H]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1	ZINC000442714628	538369986	/nfs/dbraw/zinc/36/99/86/538369986.db2.gz	YNRIWKTWOAPOFH-STQMWFEESA-N	1	0	355.485	1.551	20	30		FDEDRO
COCCO[C@@H]1C[C@@H](CO)C[N@H+](CCC(=O)Nc2sccc2C#N)C1	ZINC000447388638	538376790	/nfs/dbraw/zinc/37/67/90/538376790.db2.gz	XAUNYYUNRNBDBP-UKRRQHHQSA-N	1	0	367.471	1.294	20	30		FDEDRO
N#Cc1cccc(-n2ccc(C(=O)NC[C@H]3CCCC[N@H+]3CCO)n2)c1	ZINC000452368793	538383612	/nfs/dbraw/zinc/38/36/12/538383612.db2.gz	DEYSEEKXLCLUMS-QGZVFWFLSA-N	1	0	353.426	1.321	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1	ZINC000421306367	538392665	/nfs/dbraw/zinc/39/26/65/538392665.db2.gz	WECDDSYIQLASNC-MRXNPFEDSA-N	1	0	373.457	1.485	20	30		FDEDRO
C=CCC[C@H](CO)NC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1	ZINC000457641754	538504643	/nfs/dbraw/zinc/50/46/43/538504643.db2.gz	DJMSWXOAWAAGCB-LJQANCHMSA-N	1	0	360.502	1.560	20	30		FDEDRO
Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)ncc1C#N	ZINC000457673671	538506814	/nfs/dbraw/zinc/50/68/14/538506814.db2.gz	CTXRBGRRBLRRKV-OALUTQOASA-N	1	0	364.449	1.875	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](C(=O)OCC)C3(COC3)C2)CC1	ZINC000454460399	538557062	/nfs/dbraw/zinc/55/70/62/538557062.db2.gz	IPFSYHIUUZTCAR-INIZCTEOSA-N	1	0	365.474	1.248	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CC[C@@H]1CCCC[N@@H+]1C	ZINC000500938845	538582226	/nfs/dbraw/zinc/58/22/26/538582226.db2.gz	FUDSEGDMFDVSFT-CVEARBPZSA-N	1	0	356.474	1.650	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OCC(=O)OC)cc1	ZINC000467192539	538625425	/nfs/dbraw/zinc/62/54/25/538625425.db2.gz	UXXZKRRWVOQYSK-CHWSQXEVSA-N	1	0	363.414	1.289	20	30		FDEDRO
CC1(C)[C@@H](O)CC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000463222632	538675218	/nfs/dbraw/zinc/67/52/18/538675218.db2.gz	JMDGBBUYKJMZQG-HOCLYGCPSA-N	1	0	362.499	1.302	20	30		FDEDRO
C[C@@H]1NC(=O)N(CC[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C1=O	ZINC000459359688	538682139	/nfs/dbraw/zinc/68/21/39/538682139.db2.gz	MHHQCYPCCBRWGC-ZDUSSCGKSA-N	1	0	369.425	1.149	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000483213931	538688351	/nfs/dbraw/zinc/68/83/51/538688351.db2.gz	WQJNUBBUBQZDGF-UHFFFAOYSA-N	1	0	351.410	1.723	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[N@H+](C)CC[C@@H]2C)cc1	ZINC000483448157	538702144	/nfs/dbraw/zinc/70/21/44/538702144.db2.gz	PLDGRQYZEJGPLR-KBPBESRZSA-N	1	0	364.471	1.930	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)[C@H](C)[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1C#N	ZINC000473001202	538732144	/nfs/dbraw/zinc/73/21/44/538732144.db2.gz	NMIXEALNCYKVLB-DZKIICNBSA-N	1	0	358.490	1.510	20	30		FDEDRO
Cc1nc(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)sc1SCC#N	ZINC000469133582	538779989	/nfs/dbraw/zinc/77/99/89/538779989.db2.gz	UJZMECRTZNYGTJ-NSHDSACASA-N	1	0	367.500	1.416	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCC(=O)NCC[NH+]1CCCCCC1	ZINC000560771712	545600991	/nfs/dbraw/zinc/60/09/91/545600991.db2.gz	SSKBYVFWCGRIAG-MRXNPFEDSA-N	1	0	372.469	1.434	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)Cc2cccc(C#N)c2)(N2CCOCC2)CC1	ZINC000560776431	545602297	/nfs/dbraw/zinc/60/22/97/545602297.db2.gz	LQZYQSCZPBDOGN-UHFFFAOYSA-N	1	0	356.470	1.014	20	30		FDEDRO
C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)N1CCC(C#N)CC1)c1ccccc1	ZINC000561345337	545811605	/nfs/dbraw/zinc/81/16/05/545811605.db2.gz	VNIMJNWLGAOPPN-HNNXBMFYSA-N	1	0	356.470	1.994	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@H]2COc3ccccc32)CC1	ZINC000561412342	545837126	/nfs/dbraw/zinc/83/71/26/545837126.db2.gz	BZOSCEWVVDAMER-RHSMWYFYSA-N	1	0	357.454	1.434	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]CCc2nnc3n2CCCCC3)cc1	ZINC000561614145	545910520	/nfs/dbraw/zinc/91/05/20/545910520.db2.gz	FJAYZHPOKYZXER-INIZCTEOSA-N	1	0	355.442	1.448	20	30		FDEDRO
N#Cc1ccc(OC2CCC(NC(=O)NC[C@H]3CCC[NH2+]C3)CC2)nc1	ZINC000562808872	546277300	/nfs/dbraw/zinc/27/73/00/546277300.db2.gz	IOESADKTEOBTMU-GTPINHCMSA-N	1	0	357.458	1.942	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1	ZINC000563114644	546412633	/nfs/dbraw/zinc/41/26/33/546412633.db2.gz	BEMBRHNDXGYSNO-LJQANCHMSA-N	1	0	368.481	1.846	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H](O)CCc2ccccc2)cc1	ZINC000563138457	546420339	/nfs/dbraw/zinc/42/03/39/546420339.db2.gz	ONOZZWNEZGMNAR-GOSISDBHSA-N	1	0	358.463	1.915	20	30		FDEDRO
CC1CC[NH+](C[C@H](O)CNC[C@@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000563140045	546421666	/nfs/dbraw/zinc/42/16/66/546421666.db2.gz	AZRQFNHUDKWOHH-RTBURBONSA-N	1	0	361.486	1.175	20	30		FDEDRO
N#Cc1c(NC(=O)CC[NH2+][C@@]2(C(N)=O)CCOC2)sc2c1CCCC2	ZINC000563358201	546500431	/nfs/dbraw/zinc/50/04/31/546500431.db2.gz	OJHGEJXHSGZRND-KRWDZBQOSA-N	1	0	362.455	1.061	20	30		FDEDRO
CNc1ccc(C#N)cc1NC(=O)c1cccc(N2CC[NH+](C)CC2)n1	ZINC000563695717	546649508	/nfs/dbraw/zinc/64/95/08/546649508.db2.gz	GCSBOXWVQUKMRV-UHFFFAOYSA-N	1	0	350.426	1.999	20	30		FDEDRO
CSC1(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1	ZINC000563778354	546679862	/nfs/dbraw/zinc/67/98/62/546679862.db2.gz	SGSRFQJPLJZZSW-UHFFFAOYSA-N	1	0	351.497	1.760	20	30		FDEDRO
COC(=O)c1cccc(CN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c1C#N	ZINC000564044649	546784874	/nfs/dbraw/zinc/78/48/74/546784874.db2.gz	QQSVAYSJQLQGGH-MRXNPFEDSA-N	1	0	370.453	1.131	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)ccc1OC(F)(F)F	ZINC000564059238	546790696	/nfs/dbraw/zinc/79/06/96/546790696.db2.gz	DDNQXRMDIHWMIC-JTQLQIEISA-N	1	0	370.331	1.593	20	30		FDEDRO
CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC000564122691	546816547	/nfs/dbraw/zinc/81/65/47/546816547.db2.gz	HYDONGGAEMNEQM-OAHLLOKOSA-N	1	0	354.451	1.448	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H](C)C1CCN(S(=O)(=O)CC)CC1	ZINC000564151977	546824755	/nfs/dbraw/zinc/82/47/55/546824755.db2.gz	KHXFVXASGTVJBA-MRXNPFEDSA-N	1	0	371.547	1.569	20	30		FDEDRO
CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCOCc1ccc(C#N)cc1	ZINC000564158312	546826876	/nfs/dbraw/zinc/82/68/76/546826876.db2.gz	YUPSBKHMQQVTQT-HNNXBMFYSA-N	1	0	360.458	1.877	20	30		FDEDRO
N#Cc1nccc(N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)n1	ZINC000564226018	546852352	/nfs/dbraw/zinc/85/23/52/546852352.db2.gz	OLBWIGBPJKUYGS-QGZVFWFLSA-N	1	0	363.469	1.782	20	30		FDEDRO
N#CCCN(C(=O)C[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1)c1ccccc1	ZINC000564288969	546868776	/nfs/dbraw/zinc/86/87/76/546868776.db2.gz	AVYALLGTRRPIMN-UHOSZYNNSA-N	1	0	357.454	1.795	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1	ZINC000564300957	546872274	/nfs/dbraw/zinc/87/22/74/546872274.db2.gz	AIHNIHJEDGUNEF-HNNXBMFYSA-N	1	0	367.457	2.301	20	30		FDEDRO
Cn1nccc1[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CCO1	ZINC000564563211	546953810	/nfs/dbraw/zinc/95/38/10/546953810.db2.gz	KRHHUTGGMHIKQD-QAPCUYQASA-N	1	0	374.466	1.575	20	30		FDEDRO
N#CCc1ccc(CS(=O)(=O)NCCCC[N@H+]2CCC[C@H]2CO)cc1	ZINC000564796103	547041389	/nfs/dbraw/zinc/04/13/89/547041389.db2.gz	RVMYKXYARYIMAN-SFHVURJKSA-N	1	0	365.499	1.409	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)cc1	ZINC000564845945	547065063	/nfs/dbraw/zinc/06/50/63/547065063.db2.gz	XZCMRJMQHUWSMW-LSDHHAIUSA-N	1	0	357.376	1.772	20	30		FDEDRO
C=CC[C@H](CC)[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C	ZINC000564863235	547071972	/nfs/dbraw/zinc/07/19/72/547071972.db2.gz	HUSYVPCTPHGQEY-AWEZNQCLSA-N	1	0	374.528	1.655	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)Nc1cccc(C#N)n1	ZINC000566204208	547656897	/nfs/dbraw/zinc/65/68/97/547656897.db2.gz	MKCKJTGOSDGNEI-UHFFFAOYSA-N	1	0	367.409	1.149	20	30		FDEDRO
COC(=O)c1ccc(NC2CC[NH+](C3CCN(C)CC3)CC2)c(C#N)n1	ZINC000566478041	547775020	/nfs/dbraw/zinc/77/50/20/547775020.db2.gz	FRASVOIZEOOLJM-UHFFFAOYSA-N	1	0	357.458	1.710	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CCC(=O)Nc1ccccc1C#N	ZINC000566664941	547844115	/nfs/dbraw/zinc/84/41/15/547844115.db2.gz	QDSDFXWTXAOPNC-UHFFFAOYSA-N	1	0	351.414	1.628	20	30		FDEDRO
COC1CCC(C)(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1	ZINC000566733989	547867891	/nfs/dbraw/zinc/86/78/91/547867891.db2.gz	MWFYHMJSEXAKFO-UHFFFAOYSA-N	1	0	351.472	1.912	20	30		FDEDRO
C[C@H]1COCC[N@@H+]1C1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000567403007	548106447	/nfs/dbraw/zinc/10/64/47/548106447.db2.gz	DFFDKKMPQMDDNT-JXFKEZNVSA-N	1	0	368.481	1.849	20	30		FDEDRO
C=C(C)Cn1c(C(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000567436873	548115893	/nfs/dbraw/zinc/11/58/93/548115893.db2.gz	CAXFELBYYILMHF-MRXNPFEDSA-N	1	0	360.506	1.720	20	30		FDEDRO
C[C@@H]1CN(CCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C)O1	ZINC000567536826	548153265	/nfs/dbraw/zinc/15/32/65/548153265.db2.gz	XVZQWCVZRNDAOR-HZPDHXFCSA-N	1	0	365.499	1.421	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCCN(S(C)(=O)=O)C1	ZINC000567681560	548210297	/nfs/dbraw/zinc/21/02/97/548210297.db2.gz	VTFHULNNNPAWIZ-IAGOWNOFSA-N	1	0	368.499	1.168	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[NH2+]CC1CCS(=O)(=O)CC1	ZINC000567685668	548212794	/nfs/dbraw/zinc/21/27/94/548212794.db2.gz	HWGWBFFVOKFJNQ-KRWDZBQOSA-N	1	0	353.484	1.569	20	30		FDEDRO
Cn1cc(N2CCC[C@@H]([NH2+]CCS(=O)(=O)c3cccc(C#N)c3)C2)cn1	ZINC000567691554	548216417	/nfs/dbraw/zinc/21/64/17/548216417.db2.gz	ZKSIFBCQZMKSEM-MRXNPFEDSA-N	1	0	373.482	1.324	20	30		FDEDRO
Cc1cccc2c1OC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C2	ZINC000567707974	548222271	/nfs/dbraw/zinc/22/22/71/548222271.db2.gz	GOILCHIVMYBYNH-INIZCTEOSA-N	1	0	357.435	1.629	20	30		FDEDRO
COc1ccc(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)cc1OCCCC#N	ZINC000567904667	548319184	/nfs/dbraw/zinc/31/91/84/548319184.db2.gz	HGNMTQUJZCHMCE-HNNXBMFYSA-N	1	0	367.471	1.501	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1	ZINC000568601195	548600133	/nfs/dbraw/zinc/60/01/33/548600133.db2.gz	RKZPUFKRBJGJHS-MANSERQUSA-N	1	0	359.470	1.655	20	30		FDEDRO
C[S@](=O)Cc1ccc(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)cc1	ZINC000568874230	548715347	/nfs/dbraw/zinc/71/53/47/548715347.db2.gz	VFMINENETRUHSB-CJAUYULYSA-N	1	0	358.463	1.966	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000569060842	548780676	/nfs/dbraw/zinc/78/06/76/548780676.db2.gz	DROFUCXCYNDNCC-ROUUACIJSA-N	1	0	354.454	1.650	20	30		FDEDRO
C[NH+](C)CCn1ccc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)n1	ZINC000569116174	548803070	/nfs/dbraw/zinc/80/30/70/548803070.db2.gz	GWBIBKVEDZYDKD-UHFFFAOYSA-N	1	0	367.453	2.000	20	30		FDEDRO
CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000569433582	548915377	/nfs/dbraw/zinc/91/53/77/548915377.db2.gz	QOHFISIXCQJKSP-QZTJIDSGSA-N	1	0	369.469	1.395	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)n1	ZINC000569809537	549056827	/nfs/dbraw/zinc/05/68/27/549056827.db2.gz	MVXCFQVDLYOURU-MRXNPFEDSA-N	1	0	363.421	1.530	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c1	ZINC000569927465	549097980	/nfs/dbraw/zinc/09/79/80/549097980.db2.gz	WZDYWFSWNKSLSA-SFHVURJKSA-N	1	0	363.483	1.367	20	30		FDEDRO
COc1cccc([C@@H](CNC(=O)C(=O)Nc2cccc(C#N)n2)[NH+](C)C)c1	ZINC000569967059	549113156	/nfs/dbraw/zinc/11/31/56/549113156.db2.gz	DFBFNPTYIJPMOD-MRXNPFEDSA-N	1	0	367.409	1.319	20	30		FDEDRO
C[C@H](NC(=O)C(=O)Nc1cccc(C#N)n1)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000570210463	549198262	/nfs/dbraw/zinc/19/82/62/549198262.db2.gz	CYEQSNXWSGMOJA-KBPBESRZSA-N	1	0	355.442	1.661	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)Nc1cccc(C#N)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000570210466	549198310	/nfs/dbraw/zinc/19/83/10/549198310.db2.gz	CYEQSNXWSGMOJA-ZIAGYGMSSA-N	1	0	355.442	1.661	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000570341690	549245656	/nfs/dbraw/zinc/24/56/56/549245656.db2.gz	NJOZUBLHPZHNFI-SFHVURJKSA-N	1	0	356.470	1.488	20	30		FDEDRO
C[C@@H]1CN(C[C@H](O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)C[C@H](C)O1	ZINC000570536758	549316064	/nfs/dbraw/zinc/31/60/64/549316064.db2.gz	FPTCOCHJQURPKJ-ZIFCJYIRSA-N	1	0	373.497	1.872	20	30		FDEDRO
C=CCCCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1	ZINC000570719609	549387684	/nfs/dbraw/zinc/38/76/84/549387684.db2.gz	WDUWRCGNCXAVHC-DLBZAZTESA-N	1	0	351.491	1.343	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000570837349	549431002	/nfs/dbraw/zinc/43/10/02/549431002.db2.gz	OJKOGVOWCBUAGG-RANZSIQMSA-N	1	0	351.491	1.645	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)n1	ZINC000571028160	549498130	/nfs/dbraw/zinc/49/81/30/549498130.db2.gz	FZHJIGJFYMQBFB-OLZOCXBDSA-N	1	0	354.389	1.956	20	30		FDEDRO
C[NH+]1CCC(n2ccc(=NC(=O)C(=O)N3CCC(CCC#N)CC3)[nH]2)CC1	ZINC000571282183	549590401	/nfs/dbraw/zinc/59/04/01/549590401.db2.gz	AUIGEWGPZMAPMC-UHFFFAOYSA-N	1	0	372.473	1.631	20	30		FDEDRO
C[C@@H]1CN(C[C@H](O)C[NH2+]CCSCc2ccccc2C#N)C[C@H](C)O1	ZINC000571396479	549628837	/nfs/dbraw/zinc/62/88/37/549628837.db2.gz	FQCLLBLZWXSJGJ-JTDSTZFVSA-N	1	0	363.527	1.851	20	30		FDEDRO
C[C@@H]1CN(C[C@H](O)C[NH2+]CCSCc2ccccc2C#N)C[C@@H](C)O1	ZINC000571396478	549629172	/nfs/dbraw/zinc/62/91/72/549629172.db2.gz	FQCLLBLZWXSJGJ-GPMSIDNRSA-N	1	0	363.527	1.851	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CCC([C@@H]4CC[NH2+]C4)CC3)cc2C1=O	ZINC000571557495	549689357	/nfs/dbraw/zinc/68/93/57/549689357.db2.gz	RPTGVIQQPGXQSD-MRXNPFEDSA-N	1	0	367.449	1.930	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1	ZINC000571556098	549689404	/nfs/dbraw/zinc/68/94/04/549689404.db2.gz	WCZMCPJLONQGPB-UHFFFAOYSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCO[C@H](CC(C)C)C2)CC1	ZINC000571590373	549700993	/nfs/dbraw/zinc/70/09/93/549700993.db2.gz	VQTWTEBRYBAYIY-QZTJIDSGSA-N	1	0	365.518	1.853	20	30		FDEDRO
CC(C)[C@@H](C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)N1CC[NH+](C)CC1	ZINC000571874930	549788630	/nfs/dbraw/zinc/78/86/30/549788630.db2.gz	GQLUKDNGXNMYIP-TZIWHRDSSA-N	1	0	374.529	1.354	20	30		FDEDRO
N#CC1(c2ccccn2)CCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1	ZINC000572128126	549848231	/nfs/dbraw/zinc/84/82/31/549848231.db2.gz	JXZBVDRSKSRBSD-UHFFFAOYSA-N	1	0	369.469	1.053	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC([N@@H+]2CCOC[C@@H]2C)CC1	ZINC000572480843	549924129	/nfs/dbraw/zinc/92/41/29/549924129.db2.gz	XNQCYFLHYUPCRF-DLBZAZTESA-N	1	0	362.518	1.903	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1	ZINC000572592130	549949930	/nfs/dbraw/zinc/94/99/30/549949930.db2.gz	WWLZOUVPQMAEAV-INIZCTEOSA-N	1	0	354.520	1.112	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]CCc2ccc3c(c2)OCCO3)cc1	ZINC000572621133	549957733	/nfs/dbraw/zinc/95/77/33/549957733.db2.gz	GHRRIJBONNDWQP-KRWDZBQOSA-N	1	0	354.406	1.901	20	30		FDEDRO
CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000573035261	550049034	/nfs/dbraw/zinc/04/90/34/550049034.db2.gz	SZUMSTUEUOLDIG-UHFFFAOYSA-N	1	0	367.247	1.669	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)N1CCC[C@@H]2CCCC[C@H]21	ZINC000573348220	550118172	/nfs/dbraw/zinc/11/81/72/550118172.db2.gz	WXJAXEPKBWILIW-WMLDXEAASA-N	1	0	358.490	1.909	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC[N@@H+]1C	ZINC000573420163	550132626	/nfs/dbraw/zinc/13/26/26/550132626.db2.gz	FXXMXXKPEISWGO-ZTFGCOKTSA-N	1	0	369.469	1.441	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)NC[C@@H]3C[NH2+]CCCO3)n2)c(Cl)c1	ZINC000573666004	550187279	/nfs/dbraw/zinc/18/72/79/550187279.db2.gz	MOCGFGCUXNVFSC-ZDUSSCGKSA-N	1	0	374.832	1.897	20	30		FDEDRO
COCC[NH2+]C1CCN(S(=O)(=O)Cc2ccc(CC#N)cc2)CC1	ZINC000573734238	550202311	/nfs/dbraw/zinc/20/23/11/550202311.db2.gz	TYTYKYDIUGWSGR-UHFFFAOYSA-N	1	0	351.472	1.283	20	30		FDEDRO
N#Cc1cccnc1-n1cc(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cn1	ZINC000573783988	550210119	/nfs/dbraw/zinc/21/01/19/550210119.db2.gz	YOAHFBFEEPTHOV-RBSFLKMASA-N	1	0	351.414	1.649	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000574021912	550247493	/nfs/dbraw/zinc/24/74/93/550247493.db2.gz	BUDCCNMOVPRBSH-AWEZNQCLSA-N	1	0	371.363	1.524	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC3CCC2(C[NH3+])CC3)cc1	ZINC000574096375	550256414	/nfs/dbraw/zinc/25/64/14/550256414.db2.gz	WDXHQITUDSDNDY-UHFFFAOYSA-N	1	0	363.483	1.494	20	30		FDEDRO
CC[NH+](CC)CCS(=O)(=O)N1CCN(c2ccccc2C#N)CC1	ZINC000574244296	550281780	/nfs/dbraw/zinc/28/17/80/550281780.db2.gz	ZDVJIJXNZKSIBM-UHFFFAOYSA-N	1	0	350.488	1.352	20	30		FDEDRO
COC(=O)c1cc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1C	ZINC000574320128	550295194	/nfs/dbraw/zinc/29/51/94/550295194.db2.gz	JSMQOSLCBCKDKB-KRWDZBQOSA-N	1	0	366.421	1.969	20	30		FDEDRO
CC[C@@H](CNC(=O)C(=O)NCCCCC#N)[N@@H+]1CCc2ccccc2C1	ZINC000574349002	550299732	/nfs/dbraw/zinc/29/97/32/550299732.db2.gz	GFYUCRGEAHQARN-SFHVURJKSA-N	1	0	356.470	1.750	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cn1nnc2c1CCCC2	ZINC000574463690	550318196	/nfs/dbraw/zinc/31/81/96/550318196.db2.gz	URTIDCMDDZYOHI-UHFFFAOYSA-N	1	0	366.469	1.619	20	30		FDEDRO
N#CC1CCC(CNC(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CC1	ZINC000574623666	550343853	/nfs/dbraw/zinc/34/38/53/550343853.db2.gz	YIDZDBANMHWCPX-FOIPXRHGSA-N	1	0	360.502	1.813	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)NCC3CC[NH2+]CC3)C2=O)cc1	ZINC000574741836	550362741	/nfs/dbraw/zinc/36/27/41/550362741.db2.gz	CHXBKJRCSAWKRX-KRWDZBQOSA-N	1	0	355.442	1.352	20	30		FDEDRO
CCN1CCN(C(=O)[C@H](C)[N@H+](C)CCOCc2ccc(C#N)cc2)CC1	ZINC000574788515	550370926	/nfs/dbraw/zinc/37/09/26/550370926.db2.gz	FVFORSLVEZSSQN-KRWDZBQOSA-N	1	0	358.486	1.559	20	30		FDEDRO
CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC(=O)NCc3cccc(C#N)c3)[C@H]2C1	ZINC000576142899	550515626	/nfs/dbraw/zinc/51/56/26/550515626.db2.gz	BWHSWNXROMOEOO-FHWLQOOXSA-N	1	0	354.454	1.411	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)ncc1C#N	ZINC000576170355	550519160	/nfs/dbraw/zinc/51/91/60/550519160.db2.gz	HQPJEOREULVJHS-IVMMDQJWSA-N	1	0	355.442	1.389	20	30		FDEDRO
N#Cc1cc(NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)ncn1	ZINC000576318352	550534996	/nfs/dbraw/zinc/53/49/96/550534996.db2.gz	IPFWAARVFHBLSQ-INIZCTEOSA-N	1	0	350.426	1.658	20	30		FDEDRO
N#Cc1cccc(NC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)n1	ZINC000576752562	550582066	/nfs/dbraw/zinc/58/20/66/550582066.db2.gz	CFVSMQVKYVQTBA-SJORKVTESA-N	1	0	351.410	1.710	20	30		FDEDRO
C[C@@H](CCNC(=O)C(=O)Nc1cccc(C#N)n1)[N@H+](C)Cc1ccccc1	ZINC000577394178	550651717	/nfs/dbraw/zinc/65/17/17/550651717.db2.gz	TVNXMQGNLNWUGM-HNNXBMFYSA-N	1	0	365.437	1.919	20	30		FDEDRO
C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000577609874	550675209	/nfs/dbraw/zinc/67/52/09/550675209.db2.gz	QMVOGMBOSFYUDG-RKDXNWHRSA-N	1	0	353.220	1.501	20	30		FDEDRO
CC(C)NS(=O)(=O)[C@@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1	ZINC000577615509	550676130	/nfs/dbraw/zinc/67/61/30/550676130.db2.gz	OXCKFQGINRKPSG-CQSZACIVSA-N	1	0	352.416	1.369	20	30		FDEDRO
C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cccc(Br)c2C#N)C1	ZINC000578069646	550725566	/nfs/dbraw/zinc/72/55/66/550725566.db2.gz	OJBQDDMMJUMJCB-LLVKDONJSA-N	1	0	372.288	1.941	20	30		FDEDRO
CN(CCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)CC(F)(F)F	ZINC000578435556	550763032	/nfs/dbraw/zinc/76/30/32/550763032.db2.gz	HCZPKZYNHSMGCD-UHFFFAOYSA-N	1	0	363.405	1.806	20	30		FDEDRO
N#Cc1ccc(NC(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1	ZINC000578483266	550768175	/nfs/dbraw/zinc/76/81/75/550768175.db2.gz	JLNZHKJAIFUTQW-DOTOQJQBSA-N	1	0	355.442	1.670	20	30		FDEDRO
COC(=O)c1ccc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C)c(C#N)n1	ZINC000578668873	550789467	/nfs/dbraw/zinc/78/94/67/550789467.db2.gz	SMDZWTZIGGIUET-JTQLQIEISA-N	1	0	358.427	1.487	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccc(C#N)c(Cl)c3)CC2)C1=O	ZINC000578981402	550822172	/nfs/dbraw/zinc/82/21/72/550822172.db2.gz	CDZVOGIHACZIEX-INIZCTEOSA-N	1	0	360.845	1.637	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CCC(NC(=O)c2ccccc2C)CC1	ZINC000579436970	550873133	/nfs/dbraw/zinc/87/31/33/550873133.db2.gz	BCGIOCJLWHQXQA-MOPGFXCFSA-N	1	0	371.481	1.649	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+][C@@H]3CCCN(Cc4ccccn4)C3=O)n2c1	ZINC000579600503	550891339	/nfs/dbraw/zinc/89/13/39/550891339.db2.gz	JVBSLYDSMKJGSN-GOSISDBHSA-N	1	0	360.421	1.882	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@H]4C3)CC2)cc1	ZINC000579942128	550926005	/nfs/dbraw/zinc/92/60/05/550926005.db2.gz	BBHUAMDIYRPEJY-OALUTQOASA-N	1	0	364.449	1.242	20	30		FDEDRO
N#Cc1cccnc1OC1CCC(NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1	ZINC000580053016	550937480	/nfs/dbraw/zinc/93/74/80/550937480.db2.gz	PRYVQTYLFSVNSV-KNXWPPODSA-N	1	0	369.469	1.894	20	30		FDEDRO
N#Cc1cnc2ccccc2c1N1CCN(C(=O)NCC2([NH3+])CCC2)CC1	ZINC000580300831	550964024	/nfs/dbraw/zinc/96/40/24/550964024.db2.gz	OTCADLFSKDATSY-UHFFFAOYSA-N	1	0	364.453	1.819	20	30		FDEDRO
Cc1cc(C(=O)NCCN2C[C@H]3CC[C@@H](C2)O3)nn1-c1cccc(C#N)c1	ZINC000580408448	550978690	/nfs/dbraw/zinc/97/86/90/550978690.db2.gz	BMPQDLLSPLEELR-HDICACEKSA-N	1	0	365.437	1.645	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)NC1CCC(N2CC[NH2+]CC2)CC1	ZINC000580577809	550997437	/nfs/dbraw/zinc/99/74/37/550997437.db2.gz	WHBLPPJETKYMMV-FAEJEUNOSA-N	1	0	356.470	1.658	20	30		FDEDRO
CCOC(=O)CCCCCn1cc(CN2CCOCC2)cc(C#N)c1=O	ZINC000580583745	550997956	/nfs/dbraw/zinc/99/79/56/550997956.db2.gz	XGLZLLXONNNPNI-UHFFFAOYSA-N	1	0	361.442	1.676	20	30		FDEDRO
CN(C)[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1	ZINC000581751341	551131661	/nfs/dbraw/zinc/13/16/61/551131661.db2.gz	VGQVKDWJUHAXCE-KRWDZBQOSA-N	1	0	358.467	1.619	20	30		FDEDRO
C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000582360204	551212927	/nfs/dbraw/zinc/21/29/27/551212927.db2.gz	FDDHHOLTOFEPBC-DTWKUNHWSA-N	1	0	353.220	1.501	20	30		FDEDRO
COC1CCN(C2(C[NH2+]C[C@H](O)CN(C)CCC#N)CCCC2)CC1	ZINC000582900333	551278739	/nfs/dbraw/zinc/27/87/39/551278739.db2.gz	LWGBMVROZAHOLF-KRWDZBQOSA-N	1	0	352.523	1.206	20	30		FDEDRO
C[N@@H+]1CCC[C@H](CCNC(=O)N2CCN(c3ncccc3C#N)CC2)C1	ZINC000582950161	551284445	/nfs/dbraw/zinc/28/44/45/551284445.db2.gz	WFVOYAVKBZMYKO-MRXNPFEDSA-N	1	0	356.474	1.517	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCc2cn3c(n2)CCCC3)CC1	ZINC000582979691	551287920	/nfs/dbraw/zinc/28/79/20/551287920.db2.gz	ZKFRUJFDFKYIHK-UHFFFAOYSA-N	1	0	373.501	1.035	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)n1	ZINC000583458138	551354956	/nfs/dbraw/zinc/35/49/56/551354956.db2.gz	QFEFTGNVTFZZQU-MRXNPFEDSA-N	1	0	359.478	1.494	20	30		FDEDRO
CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1cc(C)c(C#N)cn1	ZINC000583573917	551372021	/nfs/dbraw/zinc/37/20/21/551372021.db2.gz	IPSOEIQGZPFRJU-UHFFFAOYSA-N	1	0	357.458	1.925	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000583859836	551411771	/nfs/dbraw/zinc/41/17/71/551411771.db2.gz	NMCLPUXEKDHSBT-OAHLLOKOSA-N	1	0	371.441	1.243	20	30		FDEDRO
C=CCn1c(-c2nnn(C)c2C)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1	ZINC000584154950	551455447	/nfs/dbraw/zinc/45/54/47/551455447.db2.gz	ZFDNLYIZAQYFDD-OAHLLOKOSA-N	1	0	356.478	1.633	20	30		FDEDRO
N#CCCC1CC[NH+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1	ZINC000584170190	551458056	/nfs/dbraw/zinc/45/80/56/551458056.db2.gz	CEDXSISJXRGBKS-UHFFFAOYSA-N	1	0	358.442	1.580	20	30		FDEDRO
CCN(CC)C(=O)C[NH+]1CCC(NC(=O)CCc2ccc(C#N)cc2)CC1	ZINC000584188139	551460965	/nfs/dbraw/zinc/46/09/65/551460965.db2.gz	ORQZGQOSXVNKIG-UHFFFAOYSA-N	1	0	370.497	1.940	20	30		FDEDRO
C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccc2n[nH]cc2c1	ZINC000584374460	551488155	/nfs/dbraw/zinc/48/81/55/551488155.db2.gz	HJSIQDDVPRHXPA-GFCCVEGCSA-N	1	0	355.423	1.954	20	30		FDEDRO
C[C@@H]1CN(CCC[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C[C@H](C)O1	ZINC000584582474	551522017	/nfs/dbraw/zinc/52/20/17/551522017.db2.gz	PFSDQCDCQBGMFC-SCTDSRPQSA-N	1	0	361.486	1.581	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)NCc1ccc(C#N)cc1F)c1ccccc1	ZINC000585683397	551581154	/nfs/dbraw/zinc/58/11/54/551581154.db2.gz	VPZVVOQTYUMLRF-GOSISDBHSA-N	1	0	368.412	1.733	20	30		FDEDRO
CCNC(=O)C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000585754774	551593214	/nfs/dbraw/zinc/59/32/14/551593214.db2.gz	JUPIIFJMVWVTCR-QZTJIDSGSA-N	1	0	359.470	1.873	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(C#N)cc2F)C[C@@H]1C	ZINC000586864438	551628265	/nfs/dbraw/zinc/62/82/65/551628265.db2.gz	VBGBOPRTIUPYAA-XJKSGUPXSA-N	1	0	360.433	1.645	20	30		FDEDRO
C[NH+](C)CCn1cc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cn1	ZINC000587029907	551629861	/nfs/dbraw/zinc/62/98/61/551629861.db2.gz	YIEMNMXZSIOQJS-HNNXBMFYSA-N	1	0	370.432	1.920	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)c1cccc(C#N)c1	ZINC000587689640	551633844	/nfs/dbraw/zinc/63/38/44/551633844.db2.gz	LEWJCHKSYQQUFO-QGTPRVQTSA-N	1	0	354.454	1.678	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1)c1cccc(C#N)c1	ZINC000587673369	551633874	/nfs/dbraw/zinc/63/38/74/551633874.db2.gz	HUVKOCQANIZZJA-JKSUJKDBSA-N	1	0	356.470	1.974	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)c1cccc(C#N)c1	ZINC000587699730	551634087	/nfs/dbraw/zinc/63/40/87/551634087.db2.gz	BHEBJHRGWNVKBI-CQSZACIVSA-N	1	0	354.454	1.726	20	30		FDEDRO
CC1CC[NH+](Cc2ccccc2CNC(=O)NCC(=O)NCC#N)CC1	ZINC000588105539	551647697	/nfs/dbraw/zinc/64/76/97/551647697.db2.gz	SQFLWBVKDZLUQZ-UHFFFAOYSA-N	1	0	357.458	1.357	20	30		FDEDRO
CC[NH+]1CCN(CCNC(=O)CCCC(=O)Nc2ccccc2C#N)CC1	ZINC000588724846	551679875	/nfs/dbraw/zinc/67/98/75/551679875.db2.gz	JOTIOQKWLCSURO-UHFFFAOYSA-N	1	0	371.485	1.421	20	30		FDEDRO
C[NH+](C)CCCOc1cnccc1CNC(=O)NC1CCN(CC#N)CC1	ZINC000588880257	551695997	/nfs/dbraw/zinc/69/59/97/551695997.db2.gz	QYXSRRFDFMWXEA-UHFFFAOYSA-N	1	0	374.489	1.199	20	30		FDEDRO
C[NH+](C)CCOc1cnccc1CNC(=O)NCCc1cccc(C#N)c1	ZINC000588895575	551697084	/nfs/dbraw/zinc/69/70/84/551697084.db2.gz	YLRIFARKNIZJOR-UHFFFAOYSA-N	1	0	367.453	1.936	20	30		FDEDRO
CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H]3CCN(c4ccc(C#N)cc4)C3=O)[C@H]2C1	ZINC000589053724	551707130	/nfs/dbraw/zinc/70/71/30/551707130.db2.gz	ZKIWNKOHGDDIRV-FRYIKTPZSA-N	1	0	366.465	1.900	20	30		FDEDRO
CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cccc(C#N)n1	ZINC000589464520	551732229	/nfs/dbraw/zinc/73/22/29/551732229.db2.gz	GXILESJJGFGGCD-MRXNPFEDSA-N	1	0	358.442	1.833	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)NC[C@H]3CCC[N@@H+](C)C3)CC2)c1C#N	ZINC000589614877	551738429	/nfs/dbraw/zinc/73/84/29/551738429.db2.gz	WBDRRVWVXRDCKP-CQSZACIVSA-N	1	0	362.503	1.497	20	30		FDEDRO
C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2cccc(C#N)n2)c1	ZINC000589846385	551748238	/nfs/dbraw/zinc/74/82/38/551748238.db2.gz	PLRUJUYZTCCPHF-UHFFFAOYSA-N	1	0	373.438	1.045	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)cc1C#N	ZINC000589901173	551750337	/nfs/dbraw/zinc/75/03/37/551750337.db2.gz	LDEMCKQSBOKTHT-OAHLLOKOSA-N	1	0	372.450	1.780	20	30		FDEDRO
C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)C2)C1	ZINC000590165376	551763208	/nfs/dbraw/zinc/76/32/08/551763208.db2.gz	LPFVNMWBLVKOCQ-MRXNPFEDSA-N	1	0	364.427	1.573	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCOC[C@H]1[C@H]1CCC[N@H+]1C	ZINC000590401497	551780192	/nfs/dbraw/zinc/78/01/92/551780192.db2.gz	LTLZCQWGVKGVEH-MOPGFXCFSA-N	1	0	373.501	1.668	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(c4nc(N)n[nH]4)CC3)C2=O)cc1	ZINC000590599595	551797106	/nfs/dbraw/zinc/79/71/06/551797106.db2.gz	HPNRMFWLZMMSOR-MRXNPFEDSA-N	1	0	365.441	1.634	20	30		FDEDRO
COCCN1CCC[C@@H](NS(=O)(=O)Cc2ccc(F)cc2C#N)C1	ZINC000590746572	551810566	/nfs/dbraw/zinc/81/05/66/551810566.db2.gz	UAVUPMYHSZRYAT-MRXNPFEDSA-N	1	0	355.435	1.228	20	30		FDEDRO
CN1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)[C@@H](C[NH3+])C1	ZINC000591278189	551855463	/nfs/dbraw/zinc/85/54/63/551855463.db2.gz	ZHTBBEGCRNLEEE-INIZCTEOSA-N	1	0	366.425	1.852	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2)c1cccc(C#N)c1	ZINC000591278359	551855599	/nfs/dbraw/zinc/85/55/99/551855599.db2.gz	ZXNYSVAMTYNHCD-CYBMUJFWSA-N	1	0	364.405	1.856	20	30		FDEDRO
N#Cc1cccc(Oc2ccc(NC(=O)NC[C@H]3C[NH2+]CCO3)cn2)c1	ZINC000591277740	551855602	/nfs/dbraw/zinc/85/56/02/551855602.db2.gz	XDZUSTPVOOBXDM-MRXNPFEDSA-N	1	0	353.382	1.855	20	30		FDEDRO
N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)NCC[NH2+]C1CC1	ZINC000591294706	551857414	/nfs/dbraw/zinc/85/74/14/551857414.db2.gz	LDDXQXSWNHSFAL-UHFFFAOYSA-N	1	0	365.393	1.552	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccc1C#N	ZINC000591308344	551860140	/nfs/dbraw/zinc/86/01/40/551860140.db2.gz	RDZZSCRRBHUCQE-JKSUJKDBSA-N	1	0	355.442	1.438	20	30		FDEDRO
N#Cc1cccc(CNC(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1	ZINC000591340717	551863955	/nfs/dbraw/zinc/86/39/55/551863955.db2.gz	KUWIVBFHJOCDAT-QZTJIDSGSA-N	1	0	369.469	1.348	20	30		FDEDRO
C[C@@]1(CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCC[NH2+]C1	ZINC000591350549	551865075	/nfs/dbraw/zinc/86/50/75/551865075.db2.gz	MYVOQWDMJAXRPP-LJQANCHMSA-N	1	0	356.474	1.611	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CCO1	ZINC000591356217	551865753	/nfs/dbraw/zinc/86/57/53/551865753.db2.gz	SOHHCZBIMIDEEH-LYAPFXNSSA-N	1	0	373.457	1.401	20	30		FDEDRO
CC(C)[NH2+]CCCNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000591359212	551865920	/nfs/dbraw/zinc/86/59/20/551865920.db2.gz	FNJGDJLNVNTKCJ-UHFFFAOYSA-N	1	0	360.462	1.643	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1	ZINC000591359584	551865956	/nfs/dbraw/zinc/86/59/56/551865956.db2.gz	ZVGYGNJGAULBOF-AWEZNQCLSA-N	1	0	372.473	1.645	20	30		FDEDRO
CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCC1(C#N)CCC1	ZINC000591412295	551868896	/nfs/dbraw/zinc/86/88/96/551868896.db2.gz	OXMADIRHUXPAFQ-FQEVSTJZSA-N	1	0	356.470	1.959	20	30		FDEDRO
CC(C)c1ccc([C@H]([NH3+])CNC(=O)C(=O)NC2CCN(CC#N)CC2)cc1	ZINC000591414924	551869117	/nfs/dbraw/zinc/86/91/17/551869117.db2.gz	RCGAKNPVVOTJIE-GOSISDBHSA-N	1	0	371.485	1.030	20	30		FDEDRO
COc1cccc2c1OC[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)C2	ZINC000591733860	551904756	/nfs/dbraw/zinc/90/47/56/551904756.db2.gz	WGSQXXKTCPRHRU-IAGOWNOFSA-N	1	0	354.406	1.900	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCN(c3ccccn3)C2)cc1	ZINC000591757006	551906526	/nfs/dbraw/zinc/90/65/26/551906526.db2.gz	NVTWQIRLCYKJQI-ZWKOTPCHSA-N	1	0	352.438	1.756	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)NCc1ccc(S(C)(=O)=O)cc1)c1cccc(C#N)c1	ZINC000591845551	551911298	/nfs/dbraw/zinc/91/12/98/551911298.db2.gz	IQGWQEHWUIRBLH-CQSZACIVSA-N	1	0	371.462	1.929	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N(C)[C@H](C)c1cccc(C#N)c1)C1CC[NH+](C)CC1	ZINC000591885528	551913301	/nfs/dbraw/zinc/91/33/01/551913301.db2.gz	MNKXZSWUTFHCBL-HUUCEWRRSA-N	1	0	356.470	1.924	20	30		FDEDRO
COc1cccc([C@H](CNC(=O)N2CC[C@@](O)(CC#N)C2)[NH+]2CCCC2)c1	ZINC000591896498	551914187	/nfs/dbraw/zinc/91/41/87/551914187.db2.gz	MWCKHUWQOGYADR-ICSRJNTNSA-N	1	0	372.469	1.892	20	30		FDEDRO
CC[NH+](CC)CCOc1ccc(CNC(=O)N2CC[C@](O)(CC#N)C2)cc1	ZINC000591911717	551915711	/nfs/dbraw/zinc/91/57/11/551915711.db2.gz	SRLRAQGFKLJQRU-HXUWFJFHSA-N	1	0	374.485	1.967	20	30		FDEDRO
C[NH+]1CCN(C[C@@H](NC(=O)N2CC[C@@](O)(CC#N)C2)c2ccccc2)CC1	ZINC000591946988	551919328	/nfs/dbraw/zinc/91/93/28/551919328.db2.gz	FTIUQYYCSGHGQG-QUCCMNQESA-N	1	0	371.485	1.035	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Cc2ccc(S(N)(=O)=O)s2)CC1	ZINC000592075541	551936374	/nfs/dbraw/zinc/93/63/74/551936374.db2.gz	HHHLJLILKSXOAC-UHFFFAOYSA-N	1	0	357.501	1.095	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1cccc(Cl)c1C#N)CCO2	ZINC000592104292	551942311	/nfs/dbraw/zinc/94/23/11/551942311.db2.gz	RCHBYCFBFZDHQQ-UHFFFAOYSA-N	1	0	369.874	1.697	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1ccc(F)cc1C#N)CCO2	ZINC000592104834	551942727	/nfs/dbraw/zinc/94/27/27/551942727.db2.gz	XMMMVQKUVNWZKL-UHFFFAOYSA-N	1	0	353.419	1.183	20	30		FDEDRO
CC(C)[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C1(CO)CC=CC1	ZINC000592178157	551954477	/nfs/dbraw/zinc/95/44/77/551954477.db2.gz	XTJWTJSHMRNGRL-QGZVFWFLSA-N	1	0	363.483	1.670	20	30		FDEDRO
Cc1sc(NC(=O)CN2CCOC3(CC[NH+](C)CC3)C2)c(C#N)c1C	ZINC000592185168	551955293	/nfs/dbraw/zinc/95/52/93/551955293.db2.gz	VEAAOQJPHLMGDM-UHFFFAOYSA-N	1	0	362.499	1.972	20	30		FDEDRO
C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2cccc(C#N)n2)C1	ZINC000592287203	551972743	/nfs/dbraw/zinc/97/27/43/551972743.db2.gz	PBWTVGVJAVQSDB-KRWDZBQOSA-N	1	0	363.421	1.625	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)CC1	ZINC000592302168	551975453	/nfs/dbraw/zinc/97/54/53/551975453.db2.gz	AGESWZNCGUXSCD-KRWDZBQOSA-N	1	0	362.518	1.975	20	30		FDEDRO
C[N@@H+]1C[C@@H](CNC(=O)C(=O)Nc2ccc(C#N)cn2)[C@H](c2ccccc2)C1	ZINC000592308292	551977146	/nfs/dbraw/zinc/97/71/46/551977146.db2.gz	IWFFHQWWEOIOSZ-SJORKVTESA-N	1	0	363.421	1.353	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c(Cl)c1	ZINC000592392900	551988510	/nfs/dbraw/zinc/98/85/10/551988510.db2.gz	GQUFMVFLQZTQAK-ZDUSSCGKSA-N	1	0	369.874	1.588	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@@H](CO)c1ccc(Br)cc1	ZINC000592432519	551994490	/nfs/dbraw/zinc/99/44/90/551994490.db2.gz	OJNBHOPPZNCNKB-GJZGRUSLSA-N	1	0	356.264	1.278	20	30		FDEDRO
COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000592530913	552005160	/nfs/dbraw/zinc/00/51/60/552005160.db2.gz	HCFUPJGEGMWQOH-SJLPKXTDSA-N	1	0	368.437	1.820	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC[N@@H+]1C	ZINC000592750091	552023632	/nfs/dbraw/zinc/02/36/32/552023632.db2.gz	RPHKQMDJQMKDPG-ZIAGYGMSSA-N	1	0	369.425	1.795	20	30		FDEDRO
C=CCC[C@H](O)C[NH+]1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1	ZINC000593045169	552055568	/nfs/dbraw/zinc/05/55/68/552055568.db2.gz	SZUQPTGITUZSFA-RDJZCZTQSA-N	1	0	366.502	1.968	20	30		FDEDRO
CC(C)O[C@H]1CCC[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1	ZINC000593055921	552056717	/nfs/dbraw/zinc/05/67/17/552056717.db2.gz	USAKIGMPAPXPBP-ZWKOTPCHSA-N	1	0	350.507	1.568	20	30		FDEDRO
COC[C@@H]1C[C@@H](O)C[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000593060801	552057177	/nfs/dbraw/zinc/05/71/77/552057177.db2.gz	ITHFKNJTELFAOK-QWHCGFSZSA-N	1	0	363.483	1.909	20	30		FDEDRO
COC[C@H]1C[C@@H](O)C[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000593065997	552057819	/nfs/dbraw/zinc/05/78/19/552057819.db2.gz	ITHFKNJTELFAOK-CHWSQXEVSA-N	1	0	363.483	1.909	20	30		FDEDRO
C[C@@]1(NC(=O)NC2CCN(CC#N)CC2)CC[N@H+](Cc2ccccc2)C1	ZINC000593338114	552091782	/nfs/dbraw/zinc/09/17/82/552091782.db2.gz	VUVCIOIDADNIHU-HXUWFJFHSA-N	1	0	355.486	1.938	20	30		FDEDRO
C[C@@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ncnn1C	ZINC000593399199	552102853	/nfs/dbraw/zinc/10/28/53/552102853.db2.gz	XVADCGTWSARDBC-CQSZACIVSA-N	1	0	367.457	1.712	20	30		FDEDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)Cc1ccc(Br)cc1C#N	ZINC000593460905	552112207	/nfs/dbraw/zinc/11/22/07/552112207.db2.gz	KHWDWZMOSRMSNL-HNNXBMFYSA-N	1	0	365.275	1.225	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@H]3CCC[C@H]3CO)CC2)c1	ZINC000593514746	552120493	/nfs/dbraw/zinc/12/04/93/552120493.db2.gz	CBRFXJFGAIKVIR-HKUYNNGSSA-N	1	0	356.470	1.983	20	30		FDEDRO
C[C@H](O)[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000593514084	552120673	/nfs/dbraw/zinc/12/06/73/552120673.db2.gz	OPEJDXYDCDFYAX-MAUKXSAKSA-N	1	0	356.470	1.935	20	30		FDEDRO
CC(C)NC(=O)[C@@H](C)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593516190	552121174	/nfs/dbraw/zinc/12/11/74/552121174.db2.gz	MJAQDFOJJLBNDA-OAHLLOKOSA-N	1	0	371.485	1.735	20	30		FDEDRO
CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc(C#N)cc1C(=O)OC	ZINC000593541602	552127739	/nfs/dbraw/zinc/12/77/39/552127739.db2.gz	CWFWIEDZIJAJFP-LBPRGKRZSA-N	1	0	353.444	1.353	20	30		FDEDRO
CN(C)c1cc(F)cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1	ZINC000593594695	552146842	/nfs/dbraw/zinc/14/68/42/552146842.db2.gz	XFYCOYRMDIWRIN-UHFFFAOYSA-N	1	0	363.437	1.524	20	30		FDEDRO
CC[C@@H](C#N)C(=O)NCCN(CC[NH+]1CCCCC1)C(=O)[C@H](C#N)CC	ZINC000593702449	552177888	/nfs/dbraw/zinc/17/78/88/552177888.db2.gz	YCSQOYVQVLXIDD-IRXDYDNUSA-N	1	0	361.490	1.517	20	30		FDEDRO
N#Cc1cccc2c1CN(C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C2	ZINC000593716065	552181051	/nfs/dbraw/zinc/18/10/51/552181051.db2.gz	OSVPTDWANDSRPE-OAHLLOKOSA-N	1	0	367.375	1.420	20	30		FDEDRO
C[NH2+]Cc1ccccc1CNC(=O)N(C)CCCc1[nH]nc(N)c1C#N	ZINC000593719690	552181936	/nfs/dbraw/zinc/18/19/36/552181936.db2.gz	OUNUYBFCMIURMF-UHFFFAOYSA-N	1	0	355.446	1.357	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1C#N	ZINC000593732502	552185898	/nfs/dbraw/zinc/18/58/98/552185898.db2.gz	OPMPPFOIMLMMNB-OIISXLGYSA-N	1	0	363.483	1.916	20	30		FDEDRO
COCC[C@H](C)NC(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593930062	552228345	/nfs/dbraw/zinc/22/83/45/552228345.db2.gz	YMBLUDDCGQWEPA-HNNXBMFYSA-N	1	0	372.469	1.180	20	30		FDEDRO
CCCCN(C)C(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593933787	552229041	/nfs/dbraw/zinc/22/90/41/552229041.db2.gz	PBSJXFYDPVPDDG-UHFFFAOYSA-N	1	0	356.470	1.897	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1	ZINC000594023008	552240014	/nfs/dbraw/zinc/24/00/14/552240014.db2.gz	GVIUZGQPVDXHBJ-ZWKOTPCHSA-N	1	0	372.469	1.083	20	30		FDEDRO
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000594218431	552265939	/nfs/dbraw/zinc/26/59/39/552265939.db2.gz	MRDSXGMEZPDOOQ-WOVMCDHWSA-N	1	0	356.474	1.561	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000594326215	552288805	/nfs/dbraw/zinc/28/88/05/552288805.db2.gz	OCTLPAJXNNWKTK-GDBMZVCRSA-N	1	0	356.426	1.638	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1	ZINC000594426194	552308244	/nfs/dbraw/zinc/30/82/44/552308244.db2.gz	DDRULRRDSIVXEW-QGZVFWFLSA-N	1	0	360.433	1.911	20	30		FDEDRO
Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)[C@H]([NH3+])CCCCC#N)c1C	ZINC000594428543	552308753	/nfs/dbraw/zinc/30/87/53/552308753.db2.gz	YYOQIXCZBLAJIG-OAHLLOKOSA-N	1	0	366.487	1.904	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)NCCCc1cc(N)n(-c2ccccc2)n1	ZINC000594439190	552310239	/nfs/dbraw/zinc/31/02/39/552310239.db2.gz	PIRBLQSUHHXZTF-QGZVFWFLSA-N	1	0	354.458	1.915	20	30		FDEDRO
C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@H]([NH3+])CCCCC#N	ZINC000594439174	552310462	/nfs/dbraw/zinc/31/04/62/552310462.db2.gz	SYGWXBBDHGYTLC-IAGOWNOFSA-N	1	0	358.490	1.120	20	30		FDEDRO
C[C@H]1CN(Cc2cccc(CNC(=O)[C@H]([NH3+])CCCCC#N)c2)CCO1	ZINC000594438659	552310607	/nfs/dbraw/zinc/31/06/07/552310607.db2.gz	PKFNXOWCKXGYGG-QFBILLFUSA-N	1	0	358.486	1.935	20	30		FDEDRO
COc1cc(OC)cc(N2CC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C2)c1	ZINC000594438617	552310695	/nfs/dbraw/zinc/31/06/95/552310695.db2.gz	KPNGYONTBAAQBN-KSSFIOAISA-N	1	0	360.458	1.810	20	30		FDEDRO
Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)C2)n1	ZINC000594440434	552310856	/nfs/dbraw/zinc/31/08/56/552310856.db2.gz	CHCIKMVIRNBXFH-CVEARBPZSA-N	1	0	357.458	1.978	20	30		FDEDRO
CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]([NH3+])CCCCC#N	ZINC000594442224	552311067	/nfs/dbraw/zinc/31/10/67/552311067.db2.gz	CAVHGXXUUJAPQV-RDJZCZTQSA-N	1	0	355.442	1.352	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1	ZINC000594447157	552312090	/nfs/dbraw/zinc/31/20/90/552312090.db2.gz	UGICLUZQQSQMRZ-MRXNPFEDSA-N	1	0	364.471	1.254	20	30		FDEDRO
CC(=O)N1CCN(Cc2ccccc2NC(=O)[C@@H]([NH3+])CCCCC#N)CC1	ZINC000594446774	552312242	/nfs/dbraw/zinc/31/22/42/552312242.db2.gz	SHLKZLDKDXXSIV-SFHVURJKSA-N	1	0	371.485	1.700	20	30		FDEDRO
COc1ccc([C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)N2CCOCC2)cc1	ZINC000594446666	552312272	/nfs/dbraw/zinc/31/22/72/552312272.db2.gz	WAWZXVIGXLOYFT-OALUTQOASA-N	1	0	374.485	1.596	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1	ZINC000594645734	552348137	/nfs/dbraw/zinc/34/81/37/552348137.db2.gz	ZCXIPAVMMXDHCT-MRXNPFEDSA-N	1	0	363.483	1.365	20	30		FDEDRO
CC(=O)NCc1ccc(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)cc1	ZINC000594719149	552363075	/nfs/dbraw/zinc/36/30/75/552363075.db2.gz	ZXQJUEBSBLQLNU-HXUWFJFHSA-N	1	0	367.449	1.918	20	30		FDEDRO
Cc1cc(S(=O)(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)ccc1C#N	ZINC000594803134	552390820	/nfs/dbraw/zinc/39/08/20/552390820.db2.gz	JQVWGDMUOPKQRI-HNNXBMFYSA-N	1	0	352.504	1.417	20	30		FDEDRO
CN(CCC[NH+](C)C)CCNS(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000594821947	552398811	/nfs/dbraw/zinc/39/88/11/552398811.db2.gz	QVCSBBZEIGAPIA-UHFFFAOYSA-N	1	0	358.895	1.373	20	30		FDEDRO
N#CC1(c2ccc(C[NH2+][C@@H]3CC(=O)N(CCN4CCOCC4)C3)cc2)CC1	ZINC000594922692	552424107	/nfs/dbraw/zinc/42/41/07/552424107.db2.gz	QBVYFZJESUTSSI-LJQANCHMSA-N	1	0	368.481	1.264	20	30		FDEDRO
C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCC[C@@H](CC#N)C2)cc1	ZINC000595086754	552447862	/nfs/dbraw/zinc/44/78/62/552447862.db2.gz	PUKVQONLWZXUAO-HNNXBMFYSA-N	1	0	358.442	1.718	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1C#N	ZINC000595106843	552452809	/nfs/dbraw/zinc/45/28/09/552452809.db2.gz	MWBZWYIICJYIFG-HNNXBMFYSA-N	1	0	359.474	1.193	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)s1	ZINC000595113438	552455175	/nfs/dbraw/zinc/45/51/75/552455175.db2.gz	NBWLNVPOZPPHKK-YUTCNCBUSA-N	1	0	355.485	1.669	20	30		FDEDRO
CN(C(=O)C(=O)N1CC[C@@](C)(C#N)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000595129437	552460603	/nfs/dbraw/zinc/46/06/03/552460603.db2.gz	MJLLQKBSNYKCTB-PXNSSMCTSA-N	1	0	354.454	1.481	20	30		FDEDRO
C[NH+]1CCC(N(Cc2ccccc2)C(=O)C(=O)N2CC[C@@](C)(C#N)C2)CC1	ZINC000595145720	552466984	/nfs/dbraw/zinc/46/69/84/552466984.db2.gz	FLGOIUSDODAULS-NRFANRHFSA-N	1	0	368.481	1.872	20	30		FDEDRO
CN(C(=O)C(=O)N1CC[C@@](C)(C#N)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000595151282	552468999	/nfs/dbraw/zinc/46/89/99/552468999.db2.gz	SREPZODVXJQYIE-RXVVDRJESA-N	1	0	368.481	1.872	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CCCC[C@@H]1CN1CCOCC1	ZINC000595152866	552469167	/nfs/dbraw/zinc/46/91/67/552469167.db2.gz	KSKDIBGPNDZYTG-MRXNPFEDSA-N	1	0	369.531	1.125	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)n(CCC#N)n1	ZINC000595167821	552474904	/nfs/dbraw/zinc/47/49/04/552474904.db2.gz	WQTUODKUTHCWBN-HNNXBMFYSA-N	1	0	372.473	1.567	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1	ZINC000595239579	552502455	/nfs/dbraw/zinc/50/24/55/552502455.db2.gz	DBZVSEVHFGPPEU-MRXNPFEDSA-N	1	0	370.453	1.744	20	30		FDEDRO
CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000595242566	552503719	/nfs/dbraw/zinc/50/37/19/552503719.db2.gz	URIDLOZQVSIHQY-CYBMUJFWSA-N	1	0	367.247	1.749	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1	ZINC000595243918	552504090	/nfs/dbraw/zinc/50/40/90/552504090.db2.gz	ZOMOBEPJGZNBFE-JHJVBQTASA-N	1	0	364.446	1.775	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(F)c1	ZINC000595384399	552544070	/nfs/dbraw/zinc/54/40/70/552544070.db2.gz	KLYNWPQDLZRVMR-INIZCTEOSA-N	1	0	367.446	1.058	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(S(=O)(=O)CC2(C#N)CCCCC2)CCO1	ZINC000595403370	552551047	/nfs/dbraw/zinc/55/10/47/552551047.db2.gz	CWYKSDNONLPHKK-INIZCTEOSA-N	1	0	357.520	1.833	20	30		FDEDRO
N#Cc1ccc(CC[N@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1	ZINC000595423873	552557094	/nfs/dbraw/zinc/55/70/94/552557094.db2.gz	DGQIGQYFPXLJNZ-GOSISDBHSA-N	1	0	363.483	1.227	20	30		FDEDRO
CC(C)(CO)[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1cccnc1	ZINC000595500949	552573313	/nfs/dbraw/zinc/57/33/13/552573313.db2.gz	QFMSZXQCRGRQNJ-IBGZPJMESA-N	1	0	352.438	1.919	20	30		FDEDRO
CC(C)C[NH2+]C1(CO)CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000595512498	552576010	/nfs/dbraw/zinc/57/60/10/552576010.db2.gz	OYACNJWMMIOYDH-UHFFFAOYSA-N	1	0	358.486	1.959	20	30		FDEDRO
Cc1oc(NC(=O)C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)c(C#N)c1C	ZINC000595595330	552589952	/nfs/dbraw/zinc/58/99/52/552589952.db2.gz	FZFHMNQQKIHNOY-QGZVFWFLSA-N	1	0	361.442	1.864	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)cc1	ZINC000595597450	552590306	/nfs/dbraw/zinc/59/03/06/552590306.db2.gz	QIAOIOLPDBPTIP-LJQANCHMSA-N	1	0	357.454	1.332	20	30		FDEDRO
CCN(C(=O)C[NH2+]C(C)(C)c1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1	ZINC000595643709	552596357	/nfs/dbraw/zinc/59/63/57/552596357.db2.gz	YWIMSGOJRFMYFE-INIZCTEOSA-N	1	0	363.483	1.419	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCC[C@H]2[C@@H](C)CO)CC1	ZINC000595673027	552601123	/nfs/dbraw/zinc/60/11/23/552601123.db2.gz	JGKYCFIAOZNXTC-BZSNNMDCSA-N	1	0	350.507	1.162	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1	ZINC000595717513	552606142	/nfs/dbraw/zinc/60/61/42/552606142.db2.gz	HZSQCRWUTSBBRB-SPYBWZPUSA-N	1	0	365.474	1.285	20	30		FDEDRO
COC(=O)[C@@H](NC(=O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1)C(C)C	ZINC000595770231	552613251	/nfs/dbraw/zinc/61/32/51/552613251.db2.gz	WEQJQPLNMMYSGR-SFHVURJKSA-N	1	0	373.453	1.467	20	30		FDEDRO
CC(C)NC(=O)[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000595851238	552623648	/nfs/dbraw/zinc/62/36/48/552623648.db2.gz	PTYLAWQVEPXCJJ-ROUUACIJSA-N	1	0	359.470	1.729	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN([C@H]2CCN(c3sccc3C#N)C2=O)CCO1	ZINC000595906253	552631349	/nfs/dbraw/zinc/63/13/49/552631349.db2.gz	IEYXRHBRVRACLQ-HOTGVXAUSA-N	1	0	362.499	1.768	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)[C@@]3(C(F)(F)F)CC[NH2+]C3)CC2)c1	ZINC000595918440	552633336	/nfs/dbraw/zinc/63/33/36/552633336.db2.gz	CMRRIOWBSZSKAF-OAHLLOKOSA-N	1	0	353.348	1.144	20	30		FDEDRO
CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N1CCN(c2ccsc2C#N)CC1	ZINC000595936508	552635639	/nfs/dbraw/zinc/63/56/39/552635639.db2.gz	ASUZETBXJXNELB-VVFCZOMOSA-N	1	0	374.510	1.801	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCC[NH2+]1	ZINC000595939831	552635895	/nfs/dbraw/zinc/63/58/95/552635895.db2.gz	MERJWOATHAMCJQ-IBGZPJMESA-N	1	0	372.425	1.578	20	30		FDEDRO
N#Cc1sccc1N1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1	ZINC000595961838	552639231	/nfs/dbraw/zinc/63/92/31/552639231.db2.gz	UVZVRWOYPKSYPZ-AWEZNQCLSA-N	1	0	358.389	1.810	20	30		FDEDRO
N#Cc1cccc(C2(NC(=O)c3cc([C@H]4CC[NH2+]C4)n[nH]3)CCOCC2)c1	ZINC000595968479	552639877	/nfs/dbraw/zinc/63/98/77/552639877.db2.gz	RQYYXHNTGXAEAH-HNNXBMFYSA-N	1	0	365.437	1.794	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CCN(C(=O)[C@H]([NH3+])C4CCC4)CC3)n[nH]2)cc1	ZINC000595971020	552640120	/nfs/dbraw/zinc/64/01/20/552640120.db2.gz	ONPVLCHSINMBOY-LJQANCHMSA-N	1	0	364.453	1.724	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1	ZINC000596569925	552690023	/nfs/dbraw/zinc/69/00/23/552690023.db2.gz	NVRJSTLQPDXRLG-CQSZACIVSA-N	1	0	358.417	1.874	20	30		FDEDRO
N#Cc1ccc(CCNC(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1	ZINC000596671756	552699821	/nfs/dbraw/zinc/69/98/21/552699821.db2.gz	FZLPMPQEJXKXPB-UHFFFAOYSA-N	1	0	356.470	1.855	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnc(C2CC2)nc1N	ZINC000596975386	552730581	/nfs/dbraw/zinc/73/05/81/552730581.db2.gz	SJMSCPFBLVOYBV-UHFFFAOYSA-N	1	0	364.453	2.012	20	30		FDEDRO
N#CC1(c2ccc(CN3CCN(C(=O)C[NH+]4CCCC4)CC3)cc2)CC1	ZINC000596995540	552732443	/nfs/dbraw/zinc/73/24/43/552732443.db2.gz	JGLHEEYDDYGAKI-UHFFFAOYSA-N	1	0	352.482	1.982	20	30		FDEDRO
CO[C@@]1(CO)CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1	ZINC000597186748	552758909	/nfs/dbraw/zinc/75/89/09/552758909.db2.gz	IHQKWSXFNGZORU-IBGZPJMESA-N	1	0	355.442	1.832	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1	ZINC000597362831	552779765	/nfs/dbraw/zinc/77/97/65/552779765.db2.gz	ZDUUOAAVXJRQJS-OAHLLOKOSA-N	1	0	353.532	1.935	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1	ZINC000597380619	552782233	/nfs/dbraw/zinc/78/22/33/552782233.db2.gz	MRXGGXGBWMQRLF-ROUUACIJSA-N	1	0	350.507	1.084	20	30		FDEDRO
N#CCC(=O)N1CCN(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CC1	ZINC000597387167	552782875	/nfs/dbraw/zinc/78/28/75/552782875.db2.gz	SNXHJLYTDLDYLJ-GOSISDBHSA-N	1	0	354.454	1.450	20	30		FDEDRO
C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)Cc1cccc(C#N)c1	ZINC000597389771	552783036	/nfs/dbraw/zinc/78/30/36/552783036.db2.gz	UYJJIRSCLWBGSJ-MRXNPFEDSA-N	1	0	356.470	1.753	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N[C@H]3CC34CC[NH2+]CC4)CC2)nc1	ZINC000597439431	552789522	/nfs/dbraw/zinc/78/95/22/552789522.db2.gz	JKCCBCHUIDZTHK-INIZCTEOSA-N	1	0	354.458	1.363	20	30		FDEDRO
N#Cc1cc(Cl)c(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c(Cl)c1	ZINC000597627066	552814320	/nfs/dbraw/zinc/81/43/20/552814320.db2.gz	XLCVQTINNUXPLI-LBPRGKRZSA-N	1	0	353.253	1.985	20	30		FDEDRO
C[NH+](C)C[C@H](CO)NC(=O)c1cccc(COc2ccc(C#N)cc2)c1	ZINC000597654193	552817952	/nfs/dbraw/zinc/81/79/52/552817952.db2.gz	PJFKQPBLJXFQNZ-GOSISDBHSA-N	1	0	353.422	1.790	20	30		FDEDRO
CC(C)C[C@H](NC(=O)Cc1ccc(C#N)cc1)C(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000597692496	552822499	/nfs/dbraw/zinc/82/24/99/552822499.db2.gz	OICJTBUCUAJIAC-OALUTQOASA-N	1	0	370.497	1.794	20	30		FDEDRO
C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1	ZINC000597699629	552823879	/nfs/dbraw/zinc/82/38/79/552823879.db2.gz	LAXFNHMKNVAANE-RHSMWYFYSA-N	1	0	363.483	1.929	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H](NC(=O)CCCC(=O)Nc2ccccc2C#N)C1	ZINC000597795091	552833403	/nfs/dbraw/zinc/83/34/03/552833403.db2.gz	WJVSBDWLOKTPQX-KRWDZBQOSA-N	1	0	372.469	1.894	20	30		FDEDRO
N#CC1(CC(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CCOCC1	ZINC000597993170	552854020	/nfs/dbraw/zinc/85/40/20/552854020.db2.gz	ZWKQFFWAGLCKFG-GOSISDBHSA-N	1	0	357.454	1.580	20	30		FDEDRO
C[C@H](CCNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)[NH+](C)C	ZINC000597992904	552854048	/nfs/dbraw/zinc/85/40/48/552854048.db2.gz	PEGYLNYOGLCGLC-CQSZACIVSA-N	1	0	351.472	1.834	20	30		FDEDRO
CCOC(=O)c1ccc(N2CC[NH+](C[C@H](O)CC(C)(C)C#N)CC2)nc1	ZINC000598586022	552911566	/nfs/dbraw/zinc/91/15/66/552911566.db2.gz	NGPUWHKEKXHXIG-MRXNPFEDSA-N	1	0	360.458	1.681	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC(C)(C)CC[C@@H]2CO)CC1	ZINC000598645986	552919968	/nfs/dbraw/zinc/91/99/68/552919968.db2.gz	BISBWOHVRDYFBJ-IAGOWNOFSA-N	1	0	350.507	1.162	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)CN1C(=O)N[C@]2(CC[N@H+](Cc3ccccc3)C2)C1=O	ZINC000598702650	552926955	/nfs/dbraw/zinc/92/69/55/552926955.db2.gz	WUQDYQPNUHPYML-JXFKEZNVSA-N	1	0	370.453	1.484	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1	ZINC000598732979	552928736	/nfs/dbraw/zinc/92/87/36/552928736.db2.gz	VSFBPPKZOORKRP-FXAWDEMLSA-N	1	0	352.438	1.413	20	30		FDEDRO
N#Cc1cccc(NC(=O)N2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1	ZINC000598914144	552944072	/nfs/dbraw/zinc/94/40/72/552944072.db2.gz	ZWOLVWQITVZBNW-IAGOWNOFSA-N	1	0	368.441	1.310	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCc2c(CC#N)cccc2C1	ZINC000598998406	552956185	/nfs/dbraw/zinc/95/61/85/552956185.db2.gz	GRSJLWQEMHLBEM-MRXNPFEDSA-N	1	0	355.486	1.456	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1C#N	ZINC000599103932	552968131	/nfs/dbraw/zinc/96/81/31/552968131.db2.gz	VLBGYLGVQGWGLR-DGCLKSJQSA-N	1	0	362.377	1.410	20	30		FDEDRO
C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C[C@H](O)CC2(C#N)CCOCC2)C[C@H](C)O1	ZINC000599272001	553010482	/nfs/dbraw/zinc/01/04/82/553010482.db2.gz	GFOMELFYNUCAMU-ZSYWTGECSA-N	1	0	365.518	1.631	20	30		FDEDRO
C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C[C@@H](O)CC2(C#N)CCOCC2)C[C@H](C)O1	ZINC000599271999	553010820	/nfs/dbraw/zinc/01/08/20/553010820.db2.gz	GFOMELFYNUCAMU-RDGPPVDQSA-N	1	0	365.518	1.631	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH+]2CCC(CN3CCCCC3=O)CC2)CCOCC1	ZINC000599325276	553027734	/nfs/dbraw/zinc/02/77/34/553027734.db2.gz	CEIMOYVGYVCONU-GOSISDBHSA-N	1	0	363.502	1.782	20	30		FDEDRO
COCC[N@@H+](Cc1scnc1C)C[C@H](O)CC1(C#N)CCOCC1	ZINC000599396563	553044963	/nfs/dbraw/zinc/04/49/63/553044963.db2.gz	PWSHSJNQQZJUSO-OAHLLOKOSA-N	1	0	353.488	1.971	20	30		FDEDRO
CCOC(=O)[C@]1(COC)CCC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000599397520	553045398	/nfs/dbraw/zinc/04/53/98/553045398.db2.gz	PXJKZXPYNYLECE-QFBILLFUSA-N	1	0	368.474	1.349	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+](Cc2cccc(C(N)=O)c2)C2CC2)CCOCC1	ZINC000599432674	553055408	/nfs/dbraw/zinc/05/54/08/553055408.db2.gz	ZCSHKNYGAKEEEI-SFHVURJKSA-N	1	0	357.454	1.821	20	30		FDEDRO
CN(CCOCC[NH3+])C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	ZINC000599607430	553101886	/nfs/dbraw/zinc/10/18/86/553101886.db2.gz	XSGIUVYYGSBZMK-UHFFFAOYSA-N	1	0	373.457	1.709	20	30		FDEDRO
COc1cc(NC(=O)N[C@H]2CCC[N@H+](CCCO)C2)c(F)cc1C#N	ZINC000599810561	553153861	/nfs/dbraw/zinc/15/38/61/553153861.db2.gz	VTOUOFCTUQXZBJ-ZDUSSCGKSA-N	1	0	350.394	1.674	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1	ZINC000599898168	553170554	/nfs/dbraw/zinc/17/05/54/553170554.db2.gz	BOXNNPFRLDVYTD-ZYHUDNBSSA-N	1	0	372.322	1.622	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1	ZINC000599899155	553171055	/nfs/dbraw/zinc/17/10/55/553171055.db2.gz	IVINMWHOQJCDLT-YPMHNXCESA-N	1	0	354.332	1.482	20	30		FDEDRO
CN(CCOCC[NH3+])C(=O)NC1CCC(Oc2ncccc2C#N)CC1	ZINC000599916856	553173907	/nfs/dbraw/zinc/17/39/07/553173907.db2.gz	GLUDYSSQGKEFOU-UHFFFAOYSA-N	1	0	361.446	1.260	20	30		FDEDRO
CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000599918925	553174362	/nfs/dbraw/zinc/17/43/62/553174362.db2.gz	TXXDQFQFVSZRHI-BBWFWOEESA-N	1	0	355.442	1.099	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1	ZINC000599943094	553180944	/nfs/dbraw/zinc/18/09/44/553180944.db2.gz	AWRNAOKRFFXTIT-ZIAGYGMSSA-N	1	0	368.359	1.160	20	30		FDEDRO
CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(OC)c(C#N)cc2F)C1	ZINC000599952693	553183963	/nfs/dbraw/zinc/18/39/63/553183963.db2.gz	QKEVBWOPHZZDML-GFCCVEGCSA-N	1	0	362.405	1.445	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C)c(F)cc1C#N	ZINC000599967738	553188684	/nfs/dbraw/zinc/18/86/84/553188684.db2.gz	DNRVMMGENUKEFQ-UHFFFAOYSA-N	1	0	364.421	1.691	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)c(F)cc1C#N	ZINC000599977772	553190969	/nfs/dbraw/zinc/19/09/69/553190969.db2.gz	DCFOELJCKQMTJL-UHFFFAOYSA-N	1	0	362.405	1.589	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)n(CCC#N)n1	ZINC000600062433	553211118	/nfs/dbraw/zinc/21/11/18/553211118.db2.gz	KHFSMSBYTUJCEY-OAHLLOKOSA-N	1	0	358.446	1.177	20	30		FDEDRO
CC(C)(C)OC(=O)C1CCC(O)(C[NH2+]C2CCN(CC#N)CC2)CC1	ZINC000600722358	553307095	/nfs/dbraw/zinc/30/70/95/553307095.db2.gz	PHFPUAWANVMHEF-UHFFFAOYSA-N	1	0	351.491	1.827	20	30		FDEDRO
CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]C[C@@H](O)CC2(C#N)CC2)cc1	ZINC000600723640	553307503	/nfs/dbraw/zinc/30/75/03/553307503.db2.gz	YOYODFQWVLZWJD-KRWDZBQOSA-N	1	0	365.499	1.659	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]CCn1c(=O)[nH]c2ccccc21	ZINC000600725112	553307554	/nfs/dbraw/zinc/30/75/54/553307554.db2.gz	BCSHAYIKAWSRFP-OAHLLOKOSA-N	1	0	352.394	1.643	20	30		FDEDRO
CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]C[C@H](O)CC2(C#N)CC2)cc1	ZINC000600723641	553307693	/nfs/dbraw/zinc/30/76/93/553307693.db2.gz	YOYODFQWVLZWJD-QGZVFWFLSA-N	1	0	365.499	1.659	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+][C@H]2CCCN(C3CCCCC3)C2=O)CCOCC1	ZINC000600735862	553309263	/nfs/dbraw/zinc/30/92/63/553309263.db2.gz	WDJFEFCKVLJAPY-MSOLQXFVSA-N	1	0	363.502	1.971	20	30		FDEDRO
Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@H](O)COc1ccccc1C#N	ZINC000600742659	553309895	/nfs/dbraw/zinc/30/98/95/553309895.db2.gz	KAXAEEXSGKFWAM-OALUTQOASA-N	1	0	370.449	1.944	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H](n2cccn2)C(F)(F)F)nc1	ZINC000600745326	553310454	/nfs/dbraw/zinc/31/04/54/553310454.db2.gz	HTWGRIZCQDQVFI-GFCCVEGCSA-N	1	0	373.360	1.317	20	30		FDEDRO
CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2ccccc2CC#N)CC1	ZINC000601356516	553384160	/nfs/dbraw/zinc/38/41/60/553384160.db2.gz	BFWYHHWJSKHWPE-INIZCTEOSA-N	1	0	364.515	1.305	20	30		FDEDRO
N#Cc1cccc(CS(=O)(=O)N2CCC([N@@H+]3CCCOCC3)CC2)c1	ZINC000601439346	553405876	/nfs/dbraw/zinc/40/58/76/553405876.db2.gz	DUVFOOHNCGOXLN-UHFFFAOYSA-N	1	0	363.483	1.575	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1Br	ZINC000601574534	553438240	/nfs/dbraw/zinc/43/82/40/553438240.db2.gz	LAQCHYSGNSHTIR-TXEJJXNPSA-N	1	0	363.215	1.222	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]CCn2ccc(C(F)(F)F)n2)cc1	ZINC000601969950	553497619	/nfs/dbraw/zinc/49/76/19/553497619.db2.gz	HLWXOARKUYQGJG-CYBMUJFWSA-N	1	0	354.332	1.803	20	30		FDEDRO
CN(C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCC[C@@H]1C#N	ZINC000602078323	553514972	/nfs/dbraw/zinc/51/49/72/553514972.db2.gz	WBJKMZUKRFBECJ-PBHICJAKSA-N	1	0	358.442	1.716	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CNc1ccc(S(C)(=O)=O)cc1	ZINC000602082931	553516068	/nfs/dbraw/zinc/51/60/68/553516068.db2.gz	RRBSPNCCYXQSLR-UHFFFAOYSA-N	1	0	366.487	1.196	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)C(=O)NCC3CC=CC3)CC2)c1	ZINC000602281759	553556122	/nfs/dbraw/zinc/55/61/22/553556122.db2.gz	LKMXHCRBQLHZMP-UHFFFAOYSA-N	1	0	366.465	1.721	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)Cc3cccc4c3CC[NH2+]C4)CC2)c1	ZINC000602421955	553578820	/nfs/dbraw/zinc/57/88/20/553578820.db2.gz	QUGARRMPGQWQLK-UHFFFAOYSA-N	1	0	361.449	1.490	20	30		FDEDRO
C[C@@H](CCC#N)C[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1	ZINC000602514630	553596715	/nfs/dbraw/zinc/59/67/15/553596715.db2.gz	OYJNIQYQACKOOQ-INIZCTEOSA-N	1	0	365.503	1.063	20	30		FDEDRO
N#CCc1ccc(CNC(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)cc1	ZINC000602514567	553597024	/nfs/dbraw/zinc/59/70/24/553597024.db2.gz	NXKRXEUAFXKSAG-CYBMUJFWSA-N	1	0	360.368	1.746	20	30		FDEDRO
Cn1cc(S(=O)(=O)N2CCC([NH2+]C3CCC(C#N)CC3)CC2)cn1	ZINC000602554307	553604911	/nfs/dbraw/zinc/60/49/11/553604911.db2.gz	FWEQCYJOMLHJMN-UHFFFAOYSA-N	1	0	351.476	1.245	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCOc2ccc(C[NH3+])cc21	ZINC000602575922	553607380	/nfs/dbraw/zinc/60/73/80/553607380.db2.gz	HUPYRMVGKZBNLW-UHFFFAOYSA-N	1	0	353.378	1.830	20	30		FDEDRO
CC(C)NC(=O)c1cnn2c1C[C@H](C[NH2+]Cc1cccc(C#N)n1)CC2	ZINC000602627794	553614589	/nfs/dbraw/zinc/61/45/89/553614589.db2.gz	TZASWRWNOPIKJS-CQSZACIVSA-N	1	0	352.442	1.640	20	30		FDEDRO
CC(C)[C@H]([NH2+]C1CCC(C#N)CC1)C(=O)N(C)Cc1nnc2n1CCC2	ZINC000602650918	553617750	/nfs/dbraw/zinc/61/77/50/553617750.db2.gz	TWASCDYRCMNOAT-JMLCCBQJSA-N	1	0	358.490	1.879	20	30		FDEDRO
CC(C)[C@@H]([NH2+]C1CCC(C#N)CC1)C(=O)N(C)Cc1nnc2n1CCC2	ZINC000602650925	553617776	/nfs/dbraw/zinc/61/77/76/553617776.db2.gz	TWASCDYRCMNOAT-JTTJXQCZSA-N	1	0	358.490	1.879	20	30		FDEDRO
C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)N=c1ccn(CCC#N)[nH]1	ZINC000602852865	553651443	/nfs/dbraw/zinc/65/14/43/553651443.db2.gz	SRHOQMWDHRCOJB-OAHLLOKOSA-N	1	0	360.462	1.904	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](n3ccnn3)CC2)cc1	ZINC000602889040	553660916	/nfs/dbraw/zinc/66/09/16/553660916.db2.gz	QBIZIJPHRUQECJ-QZTJIDSGSA-N	1	0	355.442	1.811	20	30		FDEDRO
C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C[C@H](O)COc1ccccc1C#N	ZINC000602907139	553666241	/nfs/dbraw/zinc/66/62/41/553666241.db2.gz	NJUQMJVQQZQXRD-MOPGFXCFSA-N	1	0	373.497	1.873	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](N3CCO[C@H](Cn4ccnn4)C3)C2=O)cc1	ZINC000602909322	553666404	/nfs/dbraw/zinc/66/64/04/553666404.db2.gz	STEAVLJKAHHEOX-ZWKOTPCHSA-N	1	0	366.425	1.046	20	30		FDEDRO
C[C@]12C[N@H+](Cc3ccc(C#N)cc3Br)C[C@@]1(C)C(=O)NC2=O	ZINC000602936209	553673886	/nfs/dbraw/zinc/67/38/86/553673886.db2.gz	OBQKZQYOHUFNCM-IYBDPMFKSA-N	1	0	362.227	1.805	20	30		FDEDRO
CN(CCCC[NH+]1CCCCC1)CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000603122204	553712782	/nfs/dbraw/zinc/71/27/82/553712782.db2.gz	VBZJBOHKVLRFAG-UHFFFAOYSA-N	1	0	364.515	1.925	20	30		FDEDRO
Cc1nn(-c2ccccc2)c(Cn2cc(CSCC[NH3+])nn2)c1C#N	ZINC000603186538	553726323	/nfs/dbraw/zinc/72/63/23/553726323.db2.gz	SCXULQBZMAFXDT-UHFFFAOYSA-N	1	0	353.455	1.884	20	30		FDEDRO
CC[NH2+]Cc1ccn(Cc2cn(CCCC3(C#N)CCOCC3)nn2)n1	ZINC000603232168	553737766	/nfs/dbraw/zinc/73/77/66/553737766.db2.gz	FKHZAIKVKZITPO-UHFFFAOYSA-N	1	0	357.462	1.733	20	30		FDEDRO
CC(C)(C#N)c1ccccc1Cn1cc(CNC(=O)C2CC[NH2+]CC2)nn1	ZINC000603251243	553743080	/nfs/dbraw/zinc/74/30/80/553743080.db2.gz	SCRKMOPPQDZEJG-UHFFFAOYSA-N	1	0	366.469	1.743	20	30		FDEDRO
CCn1c(CC[NH3+])nnc1Sc1cc(C#N)c(Br)cn1	ZINC000603302820	553759329	/nfs/dbraw/zinc/75/93/29/553759329.db2.gz	GEDPHTOYDHJPIV-UHFFFAOYSA-N	1	0	353.249	1.980	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1	ZINC000609114938	554338444	/nfs/dbraw/zinc/33/84/44/554338444.db2.gz	SOPXOWHELDQAJO-OALUTQOASA-N	1	0	356.470	1.754	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC000609207239	554349652	/nfs/dbraw/zinc/34/96/52/554349652.db2.gz	XBJQJTCPWTVLNT-HNNXBMFYSA-N	1	0	373.457	1.666	20	30		FDEDRO
N#CCN1CCC(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1	ZINC000609338349	554368610	/nfs/dbraw/zinc/36/86/10/554368610.db2.gz	ZQSMQTFDWYQCCW-IBGZPJMESA-N	1	0	369.513	1.838	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1	ZINC000609458833	554379269	/nfs/dbraw/zinc/37/92/69/554379269.db2.gz	ZBWGPMGCCRVLSK-PMACEKPBSA-N	1	0	369.513	1.986	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000609492752	554383522	/nfs/dbraw/zinc/38/35/22/554383522.db2.gz	RACWZNNPMRREFU-OAHLLOKOSA-N	1	0	369.425	1.939	20	30		FDEDRO
CN(C(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000609533506	554388828	/nfs/dbraw/zinc/38/88/28/554388828.db2.gz	RDSPMMTZTPMNGC-QGZVFWFLSA-N	1	0	350.426	1.635	20	30		FDEDRO
CCO[C@@H]1C[C@@H](O)C12CC[NH+](C[C@@H](O)COc1ccc(CC#N)cc1)CC2	ZINC000610162777	554470168	/nfs/dbraw/zinc/47/01/68/554470168.db2.gz	YFYRLBDMGOUNPL-MISYRCLQSA-N	1	0	374.481	1.744	20	30		FDEDRO
C[NH+](C)CCn1cc(NC(=O)N2CCN(c3ccccc3C#N)CC2)cn1	ZINC000610478252	554516333	/nfs/dbraw/zinc/51/63/33/554516333.db2.gz	UVPSFMZTSCYAEK-UHFFFAOYSA-N	1	0	367.457	1.670	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1cccc(C#N)c1	ZINC000610846729	554570300	/nfs/dbraw/zinc/57/03/00/554570300.db2.gz	LDMURYDTLRWPCQ-MAUKXSAKSA-N	1	0	369.469	1.567	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1CC[NH+](CC2CC2)CC1	ZINC000611015415	554594027	/nfs/dbraw/zinc/59/40/27/554594027.db2.gz	CLHMZRMYMOWIQA-UHFFFAOYSA-N	1	0	364.427	1.619	20	30		FDEDRO
C[N@H+](CC1CC1)C[C@@H]1CCN(CCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000611089661	554603985	/nfs/dbraw/zinc/60/39/85/554603985.db2.gz	YXTCJEDQYIFJTE-SFHVURJKSA-N	1	0	361.511	1.996	20	30		FDEDRO
CC[C@H]([NH2+][C@H](C)C(=O)N(C)CCC#N)c1ccccc1OCC(=O)NC	ZINC000611379730	554630009	/nfs/dbraw/zinc/63/00/09/554630009.db2.gz	BZYKPTXSTKZFAP-ZBFHGGJFSA-N	1	0	360.458	1.613	20	30		FDEDRO
C[N@@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C[C@H](O)C1CC1	ZINC000611430295	554632883	/nfs/dbraw/zinc/63/28/83/554632883.db2.gz	WJIFSQGWTHJVHK-MOPGFXCFSA-N	1	0	374.460	1.237	20	30		FDEDRO
N#Cc1cccc(NC(=O)CC[NH+]2CCC(O)(CN3CCOCC3)CC2)c1	ZINC000611530905	554642623	/nfs/dbraw/zinc/64/26/23/554642623.db2.gz	FCYGPNDVMBSLOS-UHFFFAOYSA-N	1	0	372.469	1.046	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000611544838	554644484	/nfs/dbraw/zinc/64/44/84/554644484.db2.gz	ZCZWKJBUDPTWBQ-NVXWUHKLSA-N	1	0	355.442	1.447	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1	ZINC000611556091	554645971	/nfs/dbraw/zinc/64/59/71/554645971.db2.gz	CFFXXARGBKSOSA-KBXCAEBGSA-N	1	0	353.463	1.475	20	30		FDEDRO
C=CC(C)(C)CNC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1	ZINC000612908185	554857248	/nfs/dbraw/zinc/85/72/48/554857248.db2.gz	KQAMJKLCZXAXLI-HNNXBMFYSA-N	1	0	360.506	1.921	20	30		FDEDRO
C[N@@H+]1CC[C@](O)(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1	ZINC000613051340	554876172	/nfs/dbraw/zinc/87/61/72/554876172.db2.gz	AJBTYFVVJWRERQ-IBGZPJMESA-N	1	0	367.409	1.934	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2C1=O	ZINC000614124975	555013299	/nfs/dbraw/zinc/01/32/99/555013299.db2.gz	GNUADXFPHWDSHH-LSDHHAIUSA-N	1	0	353.422	1.825	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC[N@@H+]1CC(C)(C)O	ZINC000614904264	555135241	/nfs/dbraw/zinc/13/52/41/555135241.db2.gz	VUXNSOQHIRVZPW-VQIMIIECSA-N	1	0	370.497	1.831	20	30		FDEDRO
C[C@H]1CN(C[C@@H](O)COc2ccc(CC#N)cc2)CC[N@@H+]1CC(C)(C)O	ZINC000614928718	555139351	/nfs/dbraw/zinc/13/93/51/555139351.db2.gz	LPQQVXJIGUIDKP-FUHWJXTLSA-N	1	0	361.486	1.269	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@](F)(C#N)C3)cn2)CC1	ZINC000615531815	555208261	/nfs/dbraw/zinc/20/82/61/555208261.db2.gz	QBWQDQQRQYOSAR-SFHVURJKSA-N	1	0	360.437	1.371	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccccc2CNC(=O)N2CC[C@](F)(C#N)C2)CC1	ZINC000615534401	555208808	/nfs/dbraw/zinc/20/88/08/555208808.db2.gz	ALMFILWRLVKRLN-FQEVSTJZSA-N	1	0	373.476	1.971	20	30		FDEDRO
Cc1c(C(=O)N2CC[C@](F)(C#N)C2)nnn1-c1cccc2c1CC[N@@H+](C)C2	ZINC000615589512	555216851	/nfs/dbraw/zinc/21/68/51/555216851.db2.gz	ZVBKTQRHVMXIHA-IBGZPJMESA-N	1	0	368.416	1.641	20	30		FDEDRO
C=CCC1(NC(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CCOCC1	ZINC000618248224	555599391	/nfs/dbraw/zinc/59/93/91/555599391.db2.gz	ZWZVDJUKVYZIOF-IAGOWNOFSA-N	1	0	363.502	1.561	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([NH2+]C[C@H]3CNc4ccnn4C3)C2=O)cc1	ZINC000619264899	555747469	/nfs/dbraw/zinc/74/74/69/555747469.db2.gz	MTYVTSUGOAQCMM-DOTOQJQBSA-N	1	0	350.426	1.582	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1cccc(CC#N)c1	ZINC000619492641	555787959	/nfs/dbraw/zinc/78/79/59/555787959.db2.gz	ADBFKFQLTOKGRT-NXHRZFHOSA-N	1	0	363.483	1.625	20	30		FDEDRO
C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1cccc(CC#N)c1	ZINC000619497438	555789588	/nfs/dbraw/zinc/78/95/88/555789588.db2.gz	WQLIAABHYJFEJY-HNNXBMFYSA-N	1	0	350.488	1.057	20	30		FDEDRO
CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000619568618	555800165	/nfs/dbraw/zinc/80/01/65/555800165.db2.gz	IWFJVXLWURYCBX-IRXDYDNUSA-N	1	0	362.499	1.867	20	30		FDEDRO
COC1CC[NH+](C2(CNC(=O)[C@@H](C)n3cnc(C#N)n3)CCCC2)CC1	ZINC000619591416	555805146	/nfs/dbraw/zinc/80/51/46/555805146.db2.gz	COFUGDFWUTUMJR-CQSZACIVSA-N	1	0	360.462	1.251	20	30		FDEDRO
Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC1	ZINC000619610799	555808677	/nfs/dbraw/zinc/80/86/77/555808677.db2.gz	WORCGRIOJLSFKE-MRXNPFEDSA-N	1	0	352.442	1.754	20	30		FDEDRO
CN1c2ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc2OCC1=O	ZINC000619641191	555816455	/nfs/dbraw/zinc/81/64/55/555816455.db2.gz	PKSAHKNRIDMKSA-UHFFFAOYSA-N	1	0	359.430	1.741	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[N@H+](CCNC(C)=O)C1CCSCC1	ZINC000619815630	555839096	/nfs/dbraw/zinc/83/90/96/555839096.db2.gz	YAXYJSKUKAJSHE-CQSZACIVSA-N	1	0	354.520	1.328	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1Cl	ZINC000619826732	555841098	/nfs/dbraw/zinc/84/10/98/555841098.db2.gz	HYJROZHIONBBTL-DLBZAZTESA-N	1	0	362.861	1.952	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(OC)c1	ZINC000620488473	555942083	/nfs/dbraw/zinc/94/20/83/555942083.db2.gz	HZDNNQJFDRITPE-GOSISDBHSA-N	1	0	374.481	1.860	20	30		FDEDRO
C=CCN=c1[nH]cc(C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)s1	ZINC000622071373	556216843	/nfs/dbraw/zinc/21/68/43/556216843.db2.gz	QTBDIILYJCHSHF-MRXNPFEDSA-N	1	0	372.494	1.890	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC2(C1)CCCO2	ZINC000624979768	556684516	/nfs/dbraw/zinc/68/45/16/556684516.db2.gz	NBWGZSJZHQLVHZ-CVEARBPZSA-N	1	0	359.474	1.759	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[NH2+]C1(CO)Cc2ccccc2C1	ZINC000625171327	556733303	/nfs/dbraw/zinc/73/33/03/556733303.db2.gz	KCMXHDHFWFUDRO-UHFFFAOYSA-N	1	0	360.413	1.406	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000625467753	556816528	/nfs/dbraw/zinc/81/65/28/556816528.db2.gz	AHNORMAAGUIONK-QGZVFWFLSA-N	1	0	364.534	1.332	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C	ZINC000625528571	556842012	/nfs/dbraw/zinc/84/20/12/556842012.db2.gz	HEYVFOJSSNXCIH-HNNXBMFYSA-N	1	0	351.491	1.417	20	30		FDEDRO
COC[C@@H]([NH2+]CC#CCN1C(=O)c2ccccc2C1=O)C1CCOCC1	ZINC000625530481	556842818	/nfs/dbraw/zinc/84/28/18/556842818.db2.gz	BNOTYGAHRIHOHB-GOSISDBHSA-N	1	0	356.422	1.317	20	30		FDEDRO
CC(C)NC(=O)[C@H]1CCC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000625559607	556853514	/nfs/dbraw/zinc/85/35/14/556853514.db2.gz	AYBHORDLMOYXJC-INIZCTEOSA-N	1	0	367.449	1.523	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+](C)C2)cc1	ZINC000627827791	557511195	/nfs/dbraw/zinc/51/11/95/557511195.db2.gz	IRCZXXXSHFCZIB-OAHLLOKOSA-N	1	0	372.469	1.389	20	30		FDEDRO
C=CCOc1cn(-c2ccccc2)nc1C(=O)NCC[N@H+]1CC[C@H](O)C1	ZINC000629911494	557858172	/nfs/dbraw/zinc/85/81/72/557858172.db2.gz	JMRRTRGROJSFEW-INIZCTEOSA-N	1	0	356.426	1.234	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)c1	ZINC000632369005	558141524	/nfs/dbraw/zinc/14/15/24/558141524.db2.gz	MCWATUQGLLLPEF-BBRMVZONSA-N	1	0	351.472	1.316	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1	ZINC000632508177	558167923	/nfs/dbraw/zinc/16/79/23/558167923.db2.gz	XFHDHMNMMGMCIT-KRWDZBQOSA-N	1	0	364.534	1.333	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C	ZINC000632563103	558179007	/nfs/dbraw/zinc/17/90/07/558179007.db2.gz	IQNHREJWHBWQPE-INIZCTEOSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C	ZINC000632563104	558179028	/nfs/dbraw/zinc/17/90/28/558179028.db2.gz	IQNHREJWHBWQPE-MRXNPFEDSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=CCn1c(Cc2cc(C)[nH]n2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000634337429	558451505	/nfs/dbraw/zinc/45/15/05/558451505.db2.gz	UHJPIZAEMRIAGF-MRXNPFEDSA-N	1	0	371.489	1.245	20	30		FDEDRO
C=CCn1c(COCCOC)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1	ZINC000634338538	558451974	/nfs/dbraw/zinc/45/19/74/558451974.db2.gz	COYQADRPWRCUHC-INIZCTEOSA-N	1	0	363.506	1.938	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N=c1ccn(C2CC[NH+](C)CC2)[nH]1	ZINC000635259736	558629072	/nfs/dbraw/zinc/62/90/72/558629072.db2.gz	HBUCFJGXUWKICH-UHFFFAOYSA-N	1	0	361.490	1.619	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC(CC[NH3+])CC2)cc1	ZINC000652642206	568002983	/nfs/dbraw/zinc/00/29/83/568002983.db2.gz	UBUDXQPHUWOEFK-UHFFFAOYSA-N	1	0	373.457	1.520	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1	ZINC000636936048	568212781	/nfs/dbraw/zinc/21/27/81/568212781.db2.gz	HTOPNFSWQCZPMC-DLBZAZTESA-N	1	0	363.502	1.561	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)C2)nc1	ZINC000291652449	568241834	/nfs/dbraw/zinc/24/18/34/568241834.db2.gz	NYGHDJQZTXRFSB-IXDOHACOSA-N	1	0	355.442	1.743	20	30		FDEDRO
C=CC[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccncc1	ZINC000735409806	599100746	/nfs/dbraw/zinc/10/07/46/599100746.db2.gz	LKFUPSAUXQRHHG-WFASDCNBSA-N	1	0	351.418	1.407	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)Oc2ccccc2-c2nn[nH]n2)CC1	ZINC000735398641	598361729	/nfs/dbraw/zinc/36/17/29/598361729.db2.gz	MTELTDQFJYHYQB-AWEZNQCLSA-N	1	0	370.457	1.791	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H](O)[C@H](O)c2nc3ccccc3s2)CC1	ZINC000272519830	674453577	/nfs/dbraw/zinc/45/35/77/674453577.db2.gz	VREGYQPKSUQYJZ-CVEARBPZSA-N	1	0	361.467	1.457	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCC2(C)CC[NH+](C)CC2)cc1	ZINC000272562679	674456739	/nfs/dbraw/zinc/45/67/39/674456739.db2.gz	UHPAHTJNUDAZKD-UHFFFAOYSA-N	1	0	365.499	1.613	20	30		FDEDRO
C[C@@H]1C[N@@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC[C@@H]1N1CC[NH+](C)CC1	ZINC000833621820	605051136	/nfs/dbraw/zinc/05/11/36/605051136.db2.gz	JWNZTWXRXKKHPS-AYOQOUSVSA-N	1	0	356.470	1.642	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1nn(C)cc1-c1nn[nH]n1)C(C)C	ZINC000819740303	606161744	/nfs/dbraw/zinc/16/17/44/606161744.db2.gz	XLUUONMRBZALKE-AWEZNQCLSA-N	1	0	373.465	1.420	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1ccc(C#N)cc1	ZINC000824564876	608464943	/nfs/dbraw/zinc/46/49/43/608464943.db2.gz	XMJNMOYDOMKFOU-ZDUSSCGKSA-N	1	0	361.409	1.705	20	30		FDEDRO
N#CC1(NC(=O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)CCCCC1	ZINC000826380103	608534412	/nfs/dbraw/zinc/53/44/12/608534412.db2.gz	NHIKNKJVCMTTRZ-UHFFFAOYSA-N	1	0	365.441	1.788	20	30		FDEDRO
CCN(CCC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000276167076	674715749	/nfs/dbraw/zinc/71/57/49/674715749.db2.gz	FNECMVCHEQFEGR-UHFFFAOYSA-N	1	0	366.487	1.292	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1	ZINC000277287180	674907632	/nfs/dbraw/zinc/90/76/32/674907632.db2.gz	NUWBKRYHEJMVGV-MRXNPFEDSA-N	1	0	365.499	1.707	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NC[C@@H](O)c1cc(F)cc(Cl)c1	ZINC000278390202	675131734	/nfs/dbraw/zinc/13/17/34/675131734.db2.gz	IVXHPKLFHYWZIT-OAHLLOKOSA-N	1	0	358.845	1.139	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](C)[NH+]2CCCC2)cc1	ZINC000046408771	671005242	/nfs/dbraw/zinc/00/52/42/671005242.db2.gz	CBGLZWRDCOCXPQ-AWEZNQCLSA-N	1	0	351.472	1.365	20	30		FDEDRO
S=C(NCCN1CCOCC1)NN=C1CC[NH+](C2CCCCC2)CC1	ZINC000063359123	671308535	/nfs/dbraw/zinc/30/85/35/671308535.db2.gz	IQINDTPBPIRCQH-UHFFFAOYSA-N	1	0	367.563	1.567	20	30		FDEDRO
C[C@@H]1CCCN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C[C@H]2CCCO2)C1	ZINC000073561321	671402345	/nfs/dbraw/zinc/40/23/45/671402345.db2.gz	YKMUJVJOXSTGEB-OWCLPIDISA-N	1	0	357.520	1.278	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1C[C@@H](OCC)C12CCCC2)N1CCN(C(C)=O)CC1	ZINC000089117244	671491706	/nfs/dbraw/zinc/49/17/06/671491706.db2.gz	YJYHUWLFWAOSHK-IAGOWNOFSA-N	1	0	350.507	1.854	20	30		FDEDRO
C#CCSCCNC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000121418368	671704176	/nfs/dbraw/zinc/70/41/76/671704176.db2.gz	FKSYRNXPHGMUDO-CALCHBBNSA-N	1	0	352.548	1.553	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccc(CNS(C)(=O)=O)o1	ZINC000121672880	671708616	/nfs/dbraw/zinc/70/86/16/671708616.db2.gz	MJTHWNLYEVAFFV-CYBMUJFWSA-N	1	0	356.444	1.219	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)C1CCN(S(=O)(=O)CC)CC1	ZINC000121696572	671708902	/nfs/dbraw/zinc/70/89/02/671708902.db2.gz	LNCCMCPILWIWRM-HNNXBMFYSA-N	1	0	358.504	1.325	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NC[C@H]2CCN(S(C)(=O)=O)C2)cc1Cl	ZINC000133853705	671823808	/nfs/dbraw/zinc/82/38/08/671823808.db2.gz	VRIZKPBLGNXQGB-SNVBAGLBSA-N	1	0	360.867	1.357	20	30		FDEDRO
CC(C)CCOCCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000133902633	671824383	/nfs/dbraw/zinc/82/43/83/671824383.db2.gz	UGFAXGXQKAZZLK-HNNXBMFYSA-N	1	0	354.495	1.930	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NCCNC(=[NH2+])NCCc2cccs2)s1	ZINC000151423925	671864648	/nfs/dbraw/zinc/86/46/48/671864648.db2.gz	CHYUFONTJFXGCY-UHFFFAOYSA-N	1	0	372.541	1.543	20	30		FDEDRO
CC[NH+]=C(NCCC(=O)N1CCOCC1)N1CCS[C@H](C(C)C)C1	ZINC000153759005	671908152	/nfs/dbraw/zinc/90/81/52/671908152.db2.gz	CRIGUZLDAJQUNI-HNNXBMFYSA-N	1	0	356.536	1.274	20	30		FDEDRO
CCCCCCCN1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1	ZINC000157577061	671970514	/nfs/dbraw/zinc/97/05/14/671970514.db2.gz	ASEBJIJHHOYFKH-UHFFFAOYSA-N	1	0	357.476	1.655	20	30		FDEDRO
C[NH+]=C(NCCc1nnc2n1CCCCC2)NC[C@]1(C)CCCS1	ZINC000159280876	671990152	/nfs/dbraw/zinc/99/01/52/671990152.db2.gz	KHZSNSDOMFZPQR-KRWDZBQOSA-N	1	0	350.536	1.998	20	30		FDEDRO
[NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NCC1(CO)CCOCC1	ZINC000160765614	672004502	/nfs/dbraw/zinc/00/45/02/672004502.db2.gz	XPAJCAAIWRPBEY-UHFFFAOYSA-N	1	0	361.364	1.779	20	30		FDEDRO
C=CCc1cc(OC)cc(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)c1O	ZINC000178847306	672148586	/nfs/dbraw/zinc/14/85/86/672148586.db2.gz	TZKLWLSJSZRAQE-UHFFFAOYSA-N	1	0	354.472	1.597	20	30		FDEDRO
C[C@@H]1CCCN(C(=[NH2+])NCc2cccc(N3CCCS3(=O)=O)c2)C1	ZINC000184875021	672250936	/nfs/dbraw/zinc/25/09/36/672250936.db2.gz	KYFRYMOHSJXQJP-CQSZACIVSA-N	1	0	350.488	1.773	20	30		FDEDRO
[NH2+]=C(NCc1ccc(N2CCCS2(=O)=O)c(F)c1)N1CCCCC1	ZINC000187046329	672279309	/nfs/dbraw/zinc/27/93/09/672279309.db2.gz	VIKFIKMKLLPVFN-UHFFFAOYSA-N	1	0	354.451	1.666	20	30		FDEDRO
C[NH+](C)C1CCN(CCNS(=O)(=O)Cc2ccc(C#N)cc2)CC1	ZINC000288374901	675999020	/nfs/dbraw/zinc/99/90/20/675999020.db2.gz	OKQKRCHPMPFGKR-UHFFFAOYSA-N	1	0	350.488	1.004	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2([NH3+])CCCC2)c1	ZINC000237090916	672420552	/nfs/dbraw/zinc/42/05/52/672420552.db2.gz	LHWOYVQXTWVBIU-HMMYKYKNSA-N	1	0	364.471	1.709	20	30		FDEDRO
C[NH2+]CCCC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1	ZINC000237249295	672421561	/nfs/dbraw/zinc/42/15/61/672421561.db2.gz	NXGJEUZILWKCLC-CYVLTUHYSA-N	1	0	352.460	1.438	20	30		FDEDRO
CC[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000245949078	672475732	/nfs/dbraw/zinc/47/57/32/672475732.db2.gz	BWSLZQIUKQQKLK-KURKYZTESA-N	1	0	350.507	1.304	20	30		FDEDRO
C=C(Br)CNC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1	ZINC000246518608	672515724	/nfs/dbraw/zinc/51/57/24/672515724.db2.gz	VPGDMWVEGMCYRH-STQMWFEESA-N	1	0	358.280	1.344	20	30		FDEDRO
CCNC(=O)C(C)(C)CNC(=[NH+]C)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000261644299	672642156	/nfs/dbraw/zinc/64/21/56/672642156.db2.gz	AMMJQIWLHTUMIR-UHFFFAOYSA-N	1	0	353.511	1.055	20	30		FDEDRO
C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N1CCC2(C1)CCCCC2	ZINC000261671579	672647685	/nfs/dbraw/zinc/64/76/85/672647685.db2.gz	PFHWIWXIHJSVPX-UHFFFAOYSA-N	1	0	370.563	1.890	20	30		FDEDRO
CC[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N1CCc2ccccc21	ZINC000261737872	672662125	/nfs/dbraw/zinc/66/21/25/672662125.db2.gz	ZERNAXUPPKJRSL-UHFFFAOYSA-N	1	0	364.515	1.686	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(S(N)(=O)=O)cc1)N1CC[C@](C)(CC)C1	ZINC000261816559	672677092	/nfs/dbraw/zinc/67/70/92/672677092.db2.gz	UBHUQJNHSFKSOH-KRWDZBQOSA-N	1	0	352.504	1.922	20	30		FDEDRO
CC[C@@H]1CN(C(NCC2CCN(S(C)(=O)=O)CC2)=[NH+]C)CCS1	ZINC000261917216	672693741	/nfs/dbraw/zinc/69/37/41/672693741.db2.gz	JXQKQROZOYBLQH-CQSZACIVSA-N	1	0	362.565	1.061	20	30		FDEDRO
CC[NH+]=C(NC[C@@H](O)c1cccc(C)c1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261941673	672698082	/nfs/dbraw/zinc/69/80/82/672698082.db2.gz	DQIFMUOCMCICSW-MRXNPFEDSA-N	1	0	367.515	1.503	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(OC)c(F)c1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261948812	672699530	/nfs/dbraw/zinc/69/95/30/672699530.db2.gz	GRUCDZADUGDKOO-UHFFFAOYSA-N	1	0	371.478	1.809	20	30		FDEDRO
C[NH+]=C(NCc1ccc(NS(C)(=O)=O)cc1)N(C)Cc1cccn1C	ZINC000261947066	672699701	/nfs/dbraw/zinc/69/97/01/672699701.db2.gz	GGPPOHPZLSVTDM-UHFFFAOYSA-N	1	0	363.487	1.604	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261952137	672700461	/nfs/dbraw/zinc/70/04/61/672700461.db2.gz	HSRQFIOTGFFJEV-RRFJBIMHSA-N	1	0	369.531	1.419	20	30		FDEDRO
CC[NH+]=C(NC[C@@H](C)c1c(C)noc1C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261966562	672703734	/nfs/dbraw/zinc/70/37/34/672703734.db2.gz	LPNYTAIRZSZGII-GFCCVEGCSA-N	1	0	370.519	1.869	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCN(S(C)(=O)=O)C1)NC1CCC(C(C)C)CC1	ZINC000261974422	672705153	/nfs/dbraw/zinc/70/51/53/672705153.db2.gz	NJJVGUYPDFYSSZ-QQFBHYJXSA-N	1	0	358.552	1.648	20	30		FDEDRO
[NH2+]=C(NCC1(O)CCOCC1)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000261980019	672706253	/nfs/dbraw/zinc/70/62/53/672706253.db2.gz	HRLPOCAJWZKGNJ-UHFFFAOYSA-N	1	0	352.866	1.318	20	30		FDEDRO
CC[NH+]=C(NCCc1csc(CC)n1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000262010669	672711335	/nfs/dbraw/zinc/71/13/35/672711335.db2.gz	WOHMSBPWNQRGSW-UHFFFAOYSA-N	1	0	372.560	1.723	20	30		FDEDRO
C[NH+]=C(NC[C@@H](C)N1CCC(C)CC1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000262019336	672712545	/nfs/dbraw/zinc/71/25/45/672712545.db2.gz	YMEVEZZAWFUCNM-OAHLLOKOSA-N	1	0	358.552	1.191	20	30		FDEDRO
CN(C)C(=O)CNC(NCc1cccs1)=[NH+][C@H]1CCOC2(CCC2)C1	ZINC000262270852	672759057	/nfs/dbraw/zinc/75/90/57/672759057.db2.gz	GTDALVPVOYPMEH-AWEZNQCLSA-N	1	0	364.515	1.973	20	30		FDEDRO
CN(C)C(=O)C[NH+]=C(NCc1cccs1)N1CC[C@H]([C@H]2CCOC2)C1	ZINC000262290529	672762869	/nfs/dbraw/zinc/76/28/69/672762869.db2.gz	LCBRGUWVYZDSNN-GJZGRUSLSA-N	1	0	364.515	1.640	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CCN(C(=O)C(C)C)CC1	ZINC000262338266	672772783	/nfs/dbraw/zinc/77/27/83/672772783.db2.gz	CDLCAWXBHWZYGM-XHSDSOJGSA-N	1	0	350.507	1.566	20	30		FDEDRO
[NH2+]=C(NCCOc1ccc(Cl)cc1)N1CCN(c2ncccn2)CC1	ZINC000262339696	672773074	/nfs/dbraw/zinc/77/30/74/672773074.db2.gz	SPLWGHWTCHREBE-UHFFFAOYSA-N	1	0	360.849	1.646	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCO[C@@H](C(C)(C)C)C1	ZINC000262368025	672777710	/nfs/dbraw/zinc/77/77/10/672777710.db2.gz	ICGPWZFEBMMBSW-ARFHVFGLSA-N	1	0	373.563	1.958	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)N1CCN(C(=O)C(C)C)CC1	ZINC000262386355	672781207	/nfs/dbraw/zinc/78/12/07/672781207.db2.gz	LKBCZDSMQJCPHN-ARFHVFGLSA-N	1	0	350.507	1.566	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	ZINC000288828822	676059839	/nfs/dbraw/zinc/05/98/39/676059839.db2.gz	OOGOUTBMJAYPAB-UHFFFAOYSA-N	1	0	365.865	1.150	20	30		FDEDRO
C[C@@H]1C[NH+]=C(NCCNS(=O)(=O)c2cccc(Cl)c2Cl)N1	ZINC000262474271	672795393	/nfs/dbraw/zinc/79/53/93/672795393.db2.gz	BQQVTNGPTLLLCG-MRVPVSSYSA-N	1	0	351.259	1.209	20	30		FDEDRO
CN(Cc1cccc(F)c1)C(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CC1	ZINC000262539809	672805054	/nfs/dbraw/zinc/80/50/54/672805054.db2.gz	KYMAMMDUGDMUGD-AWEZNQCLSA-N	1	0	353.463	1.800	20	30		FDEDRO
CC[NH+]=C(NC[C@]1(N2CCOCC2)CCSC1)N1CCC[C@H](C)C1	ZINC000262574440	672809825	/nfs/dbraw/zinc/80/98/25/672809825.db2.gz	NTOSPWBAJQSFJV-FUHWJXTLSA-N	1	0	354.564	1.892	20	30		FDEDRO
CC[NH+]=C(NC[C@]1(C)CCCC[C@H]1O)N1CCN(C(=O)C(C)C)CC1	ZINC000262779938	672848348	/nfs/dbraw/zinc/84/83/48/672848348.db2.gz	KSQIAYFOXDRNOM-APWZRJJASA-N	1	0	352.523	1.693	20	30		FDEDRO
CN1CCC[NH+]=C1NCCNS(=O)(=O)c1cccc(Cl)c1Cl	ZINC000263142015	672863763	/nfs/dbraw/zinc/86/37/63/672863763.db2.gz	OILUTVREQLSQRH-UHFFFAOYSA-N	1	0	365.286	1.553	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NC[C@@H](O)COc1cccc(Cl)c1Cl	ZINC000264098529	672901190	/nfs/dbraw/zinc/90/11/90/672901190.db2.gz	NDUIPYYXYFYWFT-VHSXEESVSA-N	1	0	350.246	1.672	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)CC[NH+](C)C)ccc1F	ZINC000264856381	672927093	/nfs/dbraw/zinc/92/70/93/672927093.db2.gz	CXYPTQBMVKTLLQ-LBPRGKRZSA-N	1	0	357.451	1.360	20	30		FDEDRO
C#CCN(CC)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1	ZINC000265336445	672931930	/nfs/dbraw/zinc/93/19/30/672931930.db2.gz	QNGJXLYMJVDIJT-UHFFFAOYSA-N	1	0	351.834	1.701	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NC[C@@]2(N(C)C)CCSC2)cc1OC	ZINC000267124059	673254057	/nfs/dbraw/zinc/25/40/57/673254057.db2.gz	BGXPAIQDEZJVLS-KRWDZBQOSA-N	1	0	352.504	1.545	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cc1	ZINC000289392573	676128343	/nfs/dbraw/zinc/12/83/43/676128343.db2.gz	DQYOAIUNFQZWAX-ZFWWWQNUSA-N	1	0	355.360	1.982	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2cncc(C#N)c2)C[C@H]1[NH+]1CCCC1	ZINC000289605788	676157511	/nfs/dbraw/zinc/15/75/11/676157511.db2.gz	YAXZCAWOOSZBLI-HUUCEWRRSA-N	1	0	352.485	1.154	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1	ZINC000281724199	675550617	/nfs/dbraw/zinc/55/06/17/675550617.db2.gz	FJWIKVVBJXCJBE-HLLBOEOZSA-N	1	0	350.488	1.575	20	30		FDEDRO
C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000281926645	675577018	/nfs/dbraw/zinc/57/70/18/675577018.db2.gz	JXBYLEONEGXNIN-UHFFFAOYSA-N	1	0	358.320	1.463	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000283057693	675647758	/nfs/dbraw/zinc/64/77/58/675647758.db2.gz	STZMHEQHNUIGHV-RDJZCZTQSA-N	1	0	350.488	1.719	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2cc(F)ccc2F)CC1	ZINC000284198650	675673282	/nfs/dbraw/zinc/67/32/82/675673282.db2.gz	WUMBDOGTNRXVGN-UHFFFAOYSA-N	1	0	351.397	1.738	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(F)c2)C[C@@H]1[NH+]1CCCC1	ZINC000292734221	676308365	/nfs/dbraw/zinc/30/83/65/676308365.db2.gz	VCNQIGWCXNKOHK-HOTGVXAUSA-N	1	0	369.487	1.898	20	30		FDEDRO
C=CCCCS(=O)(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1	ZINC000293215776	676338119	/nfs/dbraw/zinc/33/81/19/676338119.db2.gz	FIYSPMPNVYGKOM-UHFFFAOYSA-N	1	0	352.504	1.479	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])ccc1F	ZINC000293747837	676363503	/nfs/dbraw/zinc/36/35/03/676363503.db2.gz	VRWGZNZZEINBQV-OCCSQVGLSA-N	1	0	369.462	1.489	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1	ZINC000293947061	676371975	/nfs/dbraw/zinc/37/19/75/676371975.db2.gz	JRGKGBUAVQYAAQ-UHFFFAOYSA-N	1	0	367.471	1.057	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1F	ZINC000296279502	676417421	/nfs/dbraw/zinc/41/74/21/676417421.db2.gz	PWETZANOWNWAHI-UHFFFAOYSA-N	1	0	350.350	1.052	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1	ZINC000298950765	676506654	/nfs/dbraw/zinc/50/66/54/676506654.db2.gz	CTWXNNHPDQIIOY-SJORKVTESA-N	1	0	361.467	1.216	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cccc(OCCS(C)(=O)=O)c2)CC1	ZINC000299614049	676538209	/nfs/dbraw/zinc/53/82/09/676538209.db2.gz	FGBNPBDKCVTABZ-UHFFFAOYSA-N	1	0	364.467	1.394	20	30		FDEDRO
CCCCNC(=[NH2+])NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000303775839	676542881	/nfs/dbraw/zinc/54/28/81/676542881.db2.gz	HEJZELLDSGWLPI-UHFFFAOYSA-N	1	0	357.436	1.115	20	30		FDEDRO
CN(C)S(=O)(=O)c1ccccc1CNC(=[NH2+])NCCc1cccs1	ZINC000303792331	676543014	/nfs/dbraw/zinc/54/30/14/676543014.db2.gz	YJIAODVPLYUURV-UHFFFAOYSA-N	1	0	366.512	1.645	20	30		FDEDRO
CCOCCCNC(=[NH2+])NCc1ccccc1CS(=O)(=O)NC(C)C	ZINC000303792135	676543032	/nfs/dbraw/zinc/54/30/32/676543032.db2.gz	YDGJLXFUSZBURL-UHFFFAOYSA-N	1	0	370.519	1.345	20	30		FDEDRO
CCCCCCNC(=[NH2+])NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000303896478	676543665	/nfs/dbraw/zinc/54/36/65/676543665.db2.gz	UNEREKMGGQPBQA-UHFFFAOYSA-N	1	0	371.463	1.358	20	30		FDEDRO
Cc1cc(Br)ccc1NC(=O)CCNC(=[NH2+])N1CCOCC1	ZINC000303973691	676543994	/nfs/dbraw/zinc/54/39/94/676543994.db2.gz	HAMJSHYDLIJOLL-UHFFFAOYSA-N	1	0	369.263	1.733	20	30		FDEDRO
CC[C@H](C)c1ccc(NC(=[NH2+])NCCS(=O)(=O)N2CCOCC2)cc1	ZINC000303981964	676544021	/nfs/dbraw/zinc/54/40/21/676544021.db2.gz	PRUSRPMAIJZESA-AWEZNQCLSA-N	1	0	368.503	1.589	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@@](C)(O)c2cccs2)CC1	ZINC000304781420	676544572	/nfs/dbraw/zinc/54/45/72/676544572.db2.gz	GGNQLJKZDSPHTC-QGZVFWFLSA-N	1	0	368.503	1.823	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)cc1OC	ZINC000305772445	676545243	/nfs/dbraw/zinc/54/52/43/676545243.db2.gz	LAMXCNAASPGKIZ-GXTWGEPZSA-N	1	0	350.419	1.066	20	30		FDEDRO
COCCC(C)(C)CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000305804137	676545271	/nfs/dbraw/zinc/54/52/71/676545271.db2.gz	FSUQVQUVRATNPX-AWEZNQCLSA-N	1	0	354.495	1.930	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](S(C)(=O)=O)CC2)C1	ZINC000328714042	676603736	/nfs/dbraw/zinc/60/37/36/676603736.db2.gz	NYLPPQYMLJGKOE-HZPDHXFCSA-N	1	0	359.536	1.777	20	30		FDEDRO
C[C@@H](C(=O)NCCS(=O)(=O)N1CCSCC1)[N@H+]1[C@H](C)CC[C@@H]1C	ZINC000328804075	676607619	/nfs/dbraw/zinc/60/76/19/676607619.db2.gz	LMHVCUGDYKAJHG-MJBXVCDLSA-N	1	0	363.549	1.583	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN(C(=O)NC2CCCCC2)CC1)[C@@H]1CCSC1	ZINC000328813671	676608219	/nfs/dbraw/zinc/60/82/19/676608219.db2.gz	NLTCOBYIRSLJRG-MRXNPFEDSA-N	1	0	368.547	1.815	20	30		FDEDRO
CO[C@@H]1CC[C@@H]2OCCN(CC(=O)NC3CC[NH+](C4CC4)CC3)[C@H]2C1	ZINC000328824324	676608560	/nfs/dbraw/zinc/60/85/60/676608560.db2.gz	IRVOAUCZDGEAAW-SQNIBIBYSA-N	1	0	351.491	1.838	20	30		FDEDRO
CN1CCO[C@H]2CCN(CC(=O)Nc3nnc(C(C)(C)C)s3)C[C@H]21	ZINC000328924141	676612307	/nfs/dbraw/zinc/61/23/07/676612307.db2.gz	VHBGUWKZDJFYGZ-NEPJUHHUSA-N	1	0	353.492	1.829	20	30		FDEDRO
Cc1noc([C@H]2CN(C(=O)NCC[NH+]3CCC(C)CC3)CCN2C)n1	ZINC000328944887	676613134	/nfs/dbraw/zinc/61/31/34/676613134.db2.gz	AUDVXKLPOAISCX-OAHLLOKOSA-N	1	0	350.467	1.312	20	30		FDEDRO
C[C@H](C(=O)NC(=O)NC1CC1)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000328945073	676613265	/nfs/dbraw/zinc/61/32/65/676613265.db2.gz	LYRDXLWKBCNUNE-FMKPAKJESA-N	1	0	351.495	1.366	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)N1C[C@H](O)C[C@@H]1c1cccc(F)c1	ZINC000329048910	676617511	/nfs/dbraw/zinc/61/75/11/676617511.db2.gz	KGFJXCAKURFLEI-BRWVUGGUSA-N	1	0	350.438	1.093	20	30		FDEDRO
CO[C@@H]1C[C@@H](CO)N(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1	ZINC000329079705	676618976	/nfs/dbraw/zinc/61/89/76/676618976.db2.gz	RANHCDBBEJFLDU-JKSUJKDBSA-N	1	0	371.547	1.734	20	30		FDEDRO
CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)NC[C@]1([NH+](C)C)CCSC1	ZINC000329101686	676620038	/nfs/dbraw/zinc/62/00/38/676620038.db2.gz	ZTXOYICGFIGYSA-KYHPRHEASA-N	1	0	371.547	1.854	20	30		FDEDRO
C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1	ZINC000329300505	676631967	/nfs/dbraw/zinc/63/19/67/676631967.db2.gz	MMNPRYWIHWQIRG-ZBRFXRBCSA-N	1	0	352.523	1.408	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)N2CCOC[C@@H]2c2noc(C(C)C)n2)CC1	ZINC000329356923	676635009	/nfs/dbraw/zinc/63/50/09/676635009.db2.gz	WJOUIEZXMMGGMT-CQSZACIVSA-N	1	0	351.451	1.965	20	30		FDEDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)CCN1C(=O)CSc2ccccc21	ZINC000329384647	676636399	/nfs/dbraw/zinc/63/63/99/676636399.db2.gz	RSPPFPHFUXRACQ-AWEZNQCLSA-N	1	0	362.499	1.718	20	30		FDEDRO
C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000329548535	676643554	/nfs/dbraw/zinc/64/35/54/676643554.db2.gz	CGGYOIGHKNAOOK-CABCVRRESA-N	1	0	373.519	1.053	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O	ZINC000329589538	676645437	/nfs/dbraw/zinc/64/54/37/676645437.db2.gz	ZKOFUHCMLRYVCD-OAGGEKHMSA-N	1	0	374.551	1.471	20	30		FDEDRO
C[C@@H]1CN(C(C)(C)CNC(=O)N2CC[S@](=O)[C@H](C)[C@@H]2C)C[C@H](C)O1	ZINC000329600249	676645700	/nfs/dbraw/zinc/64/57/00/676645700.db2.gz	PZVITJXKXYSXKP-LRPIPIIISA-N	1	0	359.536	1.630	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCOCC2(CCOCC2)C1	ZINC000329731040	676652170	/nfs/dbraw/zinc/65/21/70/676652170.db2.gz	GLQQYUOFJHMUCW-INIZCTEOSA-N	1	0	355.479	1.140	20	30		FDEDRO
C[C@]1(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCO[C@H]1C1CC1	ZINC000329759383	676653270	/nfs/dbraw/zinc/65/32/70/676653270.db2.gz	OUGQUYIEXMMKKN-DFEOGRTESA-N	1	0	351.491	1.825	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1C[C@@H]2CC[C@H](O)[C@H]2C1	ZINC000329764137	676653567	/nfs/dbraw/zinc/65/35/67/676653567.db2.gz	VKBWLVZVUKACRJ-JFMONLCZSA-N	1	0	351.491	1.371	20	30		FDEDRO
CC[C@@H]1CN(C(=O)NCC(C)(C)C[NH+]2CCCC2)C[C@@H](C)S1(=O)=O	ZINC000329772623	676654849	/nfs/dbraw/zinc/65/48/49/676654849.db2.gz	KTXXFWFLYYLZGU-HUUCEWRRSA-N	1	0	359.536	1.920	20	30		FDEDRO
CS(=O)(=O)N1CCC[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1	ZINC000329838329	676660012	/nfs/dbraw/zinc/66/00/12/676660012.db2.gz	MKAVXNAQLXXHEP-JKSUJKDBSA-N	1	0	372.535	1.275	20	30		FDEDRO
CS(=O)(=O)N1CCC[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1	ZINC000329838328	676660083	/nfs/dbraw/zinc/66/00/83/676660083.db2.gz	MKAVXNAQLXXHEP-HOTGVXAUSA-N	1	0	372.535	1.275	20	30		FDEDRO
CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NCC[N@@H+]1CCCOCC1	ZINC000329950395	676665331	/nfs/dbraw/zinc/66/53/31/676665331.db2.gz	HTKLXNDIHBUDKH-OAHLLOKOSA-N	1	0	361.508	1.260	20	30		FDEDRO
Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)no1	ZINC000329980377	676667027	/nfs/dbraw/zinc/66/70/27/676667027.db2.gz	LFVUWHIIIVPHPH-AEGPPILISA-N	1	0	351.426	1.874	20	30		FDEDRO
C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC(=O)N(CC(F)(F)F)C1	ZINC000330113165	676673127	/nfs/dbraw/zinc/67/31/27/676673127.db2.gz	CPLFBFGWYDEXGR-XQQFMLRXSA-N	1	0	364.412	1.931	20	30		FDEDRO
CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2nc(CN3CCOCC3)cs2)C1	ZINC000330131426	676674601	/nfs/dbraw/zinc/67/46/01/676674601.db2.gz	KXXYXQIVOGMMLU-AWEZNQCLSA-N	1	0	367.519	1.794	20	30		FDEDRO
Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2C#N)CC1	ZINC000330148873	676675258	/nfs/dbraw/zinc/67/52/58/676675258.db2.gz	JTANVJODNYLGME-DZGCQCFKSA-N	1	0	351.476	1.462	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)NC2CCN(C(=O)C3CC3)CC2)CCSC1	ZINC000330159447	676675948	/nfs/dbraw/zinc/67/59/48/676675948.db2.gz	QOKGIHUSXYYIOR-KRWDZBQOSA-N	1	0	354.520	1.328	20	30		FDEDRO
COCCO[C@@H]1COCC[C@@H]1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1	ZINC000330170538	676676405	/nfs/dbraw/zinc/67/64/05/676676405.db2.gz	DTOMHRBBCPTNPV-MWDXBVQZSA-N	1	0	355.479	1.137	20	30		FDEDRO
CNC(=O)Cc1nc(CN2CC[N@@H+](C3CCOCC3)C[C@@H]2C)cs1	ZINC000330200689	676678047	/nfs/dbraw/zinc/67/80/47/676678047.db2.gz	WUFDHUXXDLYIOK-ZDUSSCGKSA-N	1	0	352.504	1.957	20	30		FDEDRO
O=C(CN1CC[NH+](C[C@@H]2CCOC2)CC1)Nc1nc2c(s1)CCC2	ZINC000330205018	676678321	/nfs/dbraw/zinc/67/83/21/676678321.db2.gz	CCGVOOBCAABAOW-ZDUSSCGKSA-N	1	0	350.488	1.874	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)C12CCOCC2	ZINC000330214115	676678986	/nfs/dbraw/zinc/67/89/86/676678986.db2.gz	LLJXPYVPRFGGAL-JZXOWHBKSA-N	1	0	351.491	1.902	20	30		FDEDRO
CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1	ZINC000330271711	676682442	/nfs/dbraw/zinc/68/24/42/676682442.db2.gz	WJBDVYRLEVCAMF-BZUAXINKSA-N	1	0	357.520	1.674	20	30		FDEDRO
O=C(NCC1CC[NH+](C2CC2)CC1)N[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000330274277	676682580	/nfs/dbraw/zinc/68/25/80/676682580.db2.gz	JVNIMCHIURYAGZ-ZDUSSCGKSA-N	1	0	362.396	1.528	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1	ZINC000330382024	676687630	/nfs/dbraw/zinc/68/76/30/676687630.db2.gz	IUHCGVITCLIDQO-RDJZCZTQSA-N	1	0	356.536	1.957	20	30		FDEDRO
COC(=O)[C@]1(C)C[N@@H+]([C@@H](C)C(=O)NC(=O)NC2CCCCC2)C[C@H]1C	ZINC000330388626	676688156	/nfs/dbraw/zinc/68/81/56/676688156.db2.gz	XCAOLDRCZVIGLP-FHSNZYRGSA-N	1	0	353.463	1.869	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc([S@](C)=O)c(F)c2)[C@@H](C)C1	ZINC000330551786	676696443	/nfs/dbraw/zinc/69/64/43/676696443.db2.gz	NFPAWQGDDHNNPD-CTRJTCCGSA-N	1	0	357.451	1.496	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC([NH+](C)C)CC2)cc1	ZINC000330722125	676702006	/nfs/dbraw/zinc/70/20/06/676702006.db2.gz	CDTHYDGSJAERKB-ZDUSSCGKSA-N	1	0	364.471	1.930	20	30		FDEDRO
CC[C@@H]1CN(C(=O)NC[C@H]2CCCN(C(C)=O)C2)CC[N@@H+]1CCOC	ZINC000331058110	676715508	/nfs/dbraw/zinc/71/55/08/676715508.db2.gz	MJJJAHTZUVJFMF-IAGOWNOFSA-N	1	0	354.495	1.202	20	30		FDEDRO
COc1ccc(NC(=O)N2CCC([NH+](C)C)CC2)cc1NS(C)(=O)=O	ZINC000331061052	676715545	/nfs/dbraw/zinc/71/55/45/676715545.db2.gz	NXWYGNIFLQHJIM-UHFFFAOYSA-N	1	0	370.475	1.638	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCCN1CCCCC1=O	ZINC000331214287	676722206	/nfs/dbraw/zinc/72/22/06/676722206.db2.gz	BGACEDDXSIFNPQ-OAHLLOKOSA-N	1	0	354.495	1.080	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC1	ZINC000331224789	676722762	/nfs/dbraw/zinc/72/27/62/676722762.db2.gz	AARODNKARHVHHO-UHFFFAOYSA-N	1	0	358.439	1.673	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCOc1ccc(F)cc1	ZINC000331234449	676723238	/nfs/dbraw/zinc/72/32/38/676723238.db2.gz	SHTJYYQBEJCDSO-CQSZACIVSA-N	1	0	353.438	1.896	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)C[C@@H]1C	ZINC000331287651	676725722	/nfs/dbraw/zinc/72/57/22/676725722.db2.gz	NWUVKQAPTFLELH-DZGCQCFKSA-N	1	0	368.503	1.945	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CCN(S(=O)(=O)C(C)C)CC1	ZINC000331307979	676726647	/nfs/dbraw/zinc/72/66/47/676726647.db2.gz	WRGMDCWCCFVUDH-OAHLLOKOSA-N	1	0	360.524	1.177	20	30		FDEDRO
COc1cnccc1[C@H](C)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1	ZINC000331320992	676727230	/nfs/dbraw/zinc/72/72/30/676727230.db2.gz	JUAOERVZHVJXHX-KBPBESRZSA-N	1	0	350.463	1.842	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1F	ZINC000333690205	676770854	/nfs/dbraw/zinc/77/08/54/676770854.db2.gz	PQYZCMJSAZDYNC-ZBFHGGJFSA-N	1	0	365.430	1.086	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)NCCCN1CC[NH2+]CC1	ZINC000416871488	679727479	/nfs/dbraw/zinc/72/74/79/679727479.db2.gz	PKIXOGRFNVACBE-UHFFFAOYSA-N	1	0	361.515	1.386	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1	ZINC000367179967	677490195	/nfs/dbraw/zinc/49/01/95/677490195.db2.gz	QYMDTFLXHDGDQY-PVAVHDDUSA-N	1	0	365.503	1.485	20	30		FDEDRO
Cc1ncsc1C(=O)N1CCC[N@@H+](CCC(=O)N(C)CCC#N)CC1	ZINC000367487335	677492898	/nfs/dbraw/zinc/49/28/98/677492898.db2.gz	YCWVRKWWNKLKRV-UHFFFAOYSA-N	1	0	363.487	1.362	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC(=O)N(C)[C@@H]2c2cccs2)CC1	ZINC000367503570	677493045	/nfs/dbraw/zinc/49/30/45/677493045.db2.gz	UORXZJMPRBAOLO-QAPCUYQASA-N	1	0	359.495	1.871	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)CN[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C	ZINC000369965234	677531912	/nfs/dbraw/zinc/53/19/12/677531912.db2.gz	WZAFFHGRULJRRO-NTDBWNAOSA-N	1	0	350.507	1.520	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1CCC([NH+]2CCN(C(C)C)CC2)CC1	ZINC000371352779	677664207	/nfs/dbraw/zinc/66/42/07/677664207.db2.gz	YOOAIYYJWJWQND-UHFFFAOYSA-N	1	0	350.551	1.901	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@@]2(N3CCOCC3)CCSC2)CC1	ZINC000371600004	677735786	/nfs/dbraw/zinc/73/57/86/677735786.db2.gz	SSSIMIFEUIAWSD-SFHVURJKSA-N	1	0	368.547	1.144	20	30		FDEDRO
CN(CC(=O)Nc1sccc1C#N)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000372365846	677903618	/nfs/dbraw/zinc/90/36/18/677903618.db2.gz	LSEQJUCYDSULGG-INIZCTEOSA-N	1	0	361.515	1.659	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCOC1	ZINC000374387461	678077539	/nfs/dbraw/zinc/07/75/39/678077539.db2.gz	OWVXHUDQEVLAQL-QGZVFWFLSA-N	1	0	351.834	1.643	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1	ZINC000374543445	678086551	/nfs/dbraw/zinc/08/65/51/678086551.db2.gz	LOOLPDVAIHNKQZ-NUJGCVRESA-N	1	0	364.515	1.965	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000374604588	678088110	/nfs/dbraw/zinc/08/81/10/678088110.db2.gz	VXLLDMWQKSSRSJ-DOTOQJQBSA-N	1	0	350.488	1.577	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(CC)[C@H]1c1cc(F)c(F)c(F)c1	ZINC000374820040	678092134	/nfs/dbraw/zinc/09/21/34/678092134.db2.gz	BFXMPUVBSOAOIJ-CXMBCZLWSA-N	1	0	353.388	1.967	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC(CC[NH+]3CCOCC3)CC2)o1	ZINC000376246868	678252746	/nfs/dbraw/zinc/25/27/46/678252746.db2.gz	HYPSCEMKSJLNBP-UHFFFAOYSA-N	1	0	353.444	1.274	20	30		FDEDRO
C#CCOc1ccccc1CN1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1	ZINC000377201575	678481220	/nfs/dbraw/zinc/48/12/20/678481220.db2.gz	MGDHQUNCKQMXIC-SFHVURJKSA-N	1	0	362.495	1.440	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)cc1F	ZINC000377277787	678503576	/nfs/dbraw/zinc/50/35/76/678503576.db2.gz	NKQBIVPRUQCSKN-INIZCTEOSA-N	1	0	351.447	1.438	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC([C@H]2CC[NH2+]C2)CC1	ZINC000377990631	678666231	/nfs/dbraw/zinc/66/62/31/678666231.db2.gz	AIETXSOEZQDHMX-ZDUSSCGKSA-N	1	0	364.427	1.477	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1	ZINC000409490769	678850509	/nfs/dbraw/zinc/85/05/09/678850509.db2.gz	IVPYGQBDCXCCNX-WBVHZDCISA-N	1	0	350.488	1.719	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000409567360	678861460	/nfs/dbraw/zinc/86/14/60/678861460.db2.gz	MOPPZXBFMOIOQW-UHFFFAOYSA-N	1	0	363.487	1.402	20	30		FDEDRO
C=CCN1CC[C@H]([NH+]2CCC(C(=O)NCCCOC(C)C)CC2)C1=O	ZINC000410319234	678889769	/nfs/dbraw/zinc/88/97/69/678889769.db2.gz	MGRUMDYJRIIZIS-KRWDZBQOSA-N	1	0	351.491	1.417	20	30		FDEDRO
N#Cc1c2c(sc1NC(=O)CC[NH2+][C@H](CO)C1CCOCC1)CCC2	ZINC000411508407	679045146	/nfs/dbraw/zinc/04/51/46/679045146.db2.gz	UJTDAMPMCXMCQF-OAHLLOKOSA-N	1	0	363.483	1.814	20	30		FDEDRO
C[C@@H]1C[C@H](O)C[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1	ZINC000412037872	679146295	/nfs/dbraw/zinc/14/62/95/679146295.db2.gz	NHZFQABJSQNOLI-PMPSAXMXSA-N	1	0	362.499	1.160	20	30		FDEDRO
N#Cc1cc(NC(=O)NC[C@H]2C[NH2+]CCO2)ccc1OCC(F)(F)F	ZINC000414832041	679370901	/nfs/dbraw/zinc/37/09/01/679370901.db2.gz	DCLQQVMCPCFCNF-GFCCVEGCSA-N	1	0	358.320	1.609	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2C[NH2+]C)cc1	ZINC000414889417	679372514	/nfs/dbraw/zinc/37/25/14/679372514.db2.gz	GLASNDNJDLQCRG-HNNXBMFYSA-N	1	0	366.487	1.709	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC2(C[NH3+])CCCC2)cc1	ZINC000414894991	679373145	/nfs/dbraw/zinc/37/31/45/679373145.db2.gz	MGPZKBLTSXDWAP-UHFFFAOYSA-N	1	0	366.487	1.886	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC[NH2+]1	ZINC000415411985	679425858	/nfs/dbraw/zinc/42/58/58/679425858.db2.gz	HGDUDRMFXJUBDM-SECBINFHSA-N	1	0	356.304	1.216	20	30		FDEDRO
C[NH2+]C[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1	ZINC000415457471	679433948	/nfs/dbraw/zinc/43/39/48/679433948.db2.gz	LFROJPSVXJZSJT-ZDUSSCGKSA-N	1	0	358.833	2.471	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)N[C@@H](C)[C@@H](C)[NH3+])c(C#N)cn1CCOC	ZINC000415496707	679439995	/nfs/dbraw/zinc/43/99/95/679439995.db2.gz	SGJRFDXBJMAKAB-MNOVXSKESA-N	1	0	351.407	1.040	20	30		FDEDRO
CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000415515497	679442718	/nfs/dbraw/zinc/44/27/18/679442718.db2.gz	CKYLATIUIGTKNV-UHFFFAOYSA-N	1	0	358.320	1.511	20	30		FDEDRO
CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000415518050	679443578	/nfs/dbraw/zinc/44/35/78/679443578.db2.gz	IKHWEELFQMAOFA-UHFFFAOYSA-N	1	0	353.220	1.375	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](C[NH3+])C(C)(C)C)cc1	ZINC000415595572	679461129	/nfs/dbraw/zinc/46/11/29/679461129.db2.gz	HJSUSUVSKQECHS-SMDDNHRTSA-N	1	0	352.460	1.867	20	30		FDEDRO
C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000415609955	679464596	/nfs/dbraw/zinc/46/45/96/679464596.db2.gz	HRZVZLBYNJPACA-TVQRCGJNSA-N	1	0	365.231	1.373	20	30		FDEDRO
C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000415619107	679466704	/nfs/dbraw/zinc/46/67/04/679466704.db2.gz	HEQZTDPTPRYZLH-ZANVPECISA-N	1	0	354.332	1.630	20	30		FDEDRO
CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	ZINC000415664035	679474462	/nfs/dbraw/zinc/47/44/62/679474462.db2.gz	ZSGSKRXKJDETGR-LLVKDONJSA-N	1	0	357.439	1.734	20	30		FDEDRO
CN1CC[NH2+]C[C@@H]1CNC(=O)Nc1ccc(C#N)c(Br)c1	ZINC000415692874	679480653	/nfs/dbraw/zinc/48/06/53/679480653.db2.gz	MXZZTUYIXIHYER-GFCCVEGCSA-N	1	0	352.236	1.346	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1Cl	ZINC000415825867	679516289	/nfs/dbraw/zinc/51/62/89/679516289.db2.gz	ZDMADMKCVQHCRP-KGLIPLIRSA-N	1	0	360.845	1.998	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC2)nc1	ZINC000415993466	679541068	/nfs/dbraw/zinc/54/10/68/679541068.db2.gz	JFBXWOAQITYXAS-LBPRGKRZSA-N	1	0	356.352	1.065	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1	ZINC000415996260	679541374	/nfs/dbraw/zinc/54/13/74/679541374.db2.gz	OWZUTRGCQQPIHA-GFCCVEGCSA-N	1	0	356.352	1.065	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1	ZINC000419159396	680203970	/nfs/dbraw/zinc/20/39/70/680203970.db2.gz	XMABWWPZPNFIIX-XIRDDKMYSA-N	1	0	351.491	1.592	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)c1ccc(F)c(F)c1	ZINC000419672961	680314974	/nfs/dbraw/zinc/31/49/74/680314974.db2.gz	GWZGRDZZNXBTPT-FFSVYQOJSA-N	1	0	351.397	1.894	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H]1CC[C@@H](C[NH3+])C1	ZINC000420447887	680455836	/nfs/dbraw/zinc/45/58/36/680455836.db2.gz	DAUAXJOPGHCVIO-NXEZZACHSA-N	1	0	358.261	1.726	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCCC[NH2+]C2CC2)cc1Br	ZINC000420451520	680458387	/nfs/dbraw/zinc/45/83/87/680458387.db2.gz	QVMJZUCCKHKBHR-UHFFFAOYSA-N	1	0	358.261	1.741	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c1	ZINC000420476053	680467983	/nfs/dbraw/zinc/46/79/83/680467983.db2.gz	HSKQFJZEFRYFOW-UKRRQHHQSA-N	1	0	351.472	1.208	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1	ZINC000425208709	680885043	/nfs/dbraw/zinc/88/50/43/680885043.db2.gz	STLWRONURPEHHK-RYQLBKOJSA-N	1	0	362.499	1.671	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C1CCOCC1)C1(CO)CCC1	ZINC000425538456	680908607	/nfs/dbraw/zinc/90/86/07/680908607.db2.gz	JIXGNGFTCGGGPR-YJBOKZPZSA-N	1	0	351.491	1.542	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000425879912	680938596	/nfs/dbraw/zinc/93/85/96/680938596.db2.gz	JCTRBEORCDJHJB-QEOTZNIISA-N	1	0	351.491	1.176	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1	ZINC000425879910	680938600	/nfs/dbraw/zinc/93/86/00/680938600.db2.gz	JCTRBEORCDJHJB-KSWRQPAISA-N	1	0	351.491	1.176	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1	ZINC000425887186	680939244	/nfs/dbraw/zinc/93/92/44/680939244.db2.gz	JXQVLKXJDCBIMP-IKGGRYGDSA-N	1	0	351.491	1.178	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](CCO)[C@H]2CC[C@@H](C)C2)CC1	ZINC000429769860	681047065	/nfs/dbraw/zinc/04/70/65/681047065.db2.gz	JELPGYJKXZSWPK-SQNIBIBYSA-N	1	0	350.507	1.162	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN(CC)C(=O)[C@H]1C)C(C)C	ZINC000429939666	681057404	/nfs/dbraw/zinc/05/74/04/681057404.db2.gz	HNZAQUWZVHIKEZ-SJORKVTESA-N	1	0	350.507	1.947	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1	ZINC000430411845	681076032	/nfs/dbraw/zinc/07/60/32/681076032.db2.gz	VVKUTENPXXFXDN-BBWFWOEESA-N	1	0	351.491	1.322	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)cc1	ZINC000430706257	681092020	/nfs/dbraw/zinc/09/20/20/681092020.db2.gz	CVRDVIDTICTKOG-MRXNPFEDSA-N	1	0	365.499	1.659	20	30		FDEDRO
C[N@H+](CCCCCO)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000434684955	681510546	/nfs/dbraw/zinc/51/05/46/681510546.db2.gz	NPUVWCAWALRFKI-INIZCTEOSA-N	1	0	364.515	1.551	20	30		FDEDRO
COc1cc(C[NH2+]CCNS(=O)(=O)c2ccc(C)cc2)ccc1C#N	ZINC000440803324	682025482	/nfs/dbraw/zinc/02/54/82/682025482.db2.gz	ABDRELDEDMFCSG-UHFFFAOYSA-N	1	0	359.451	1.943	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H](C)[C@H](C)CO	ZINC000450731657	682776870	/nfs/dbraw/zinc/77/68/70/682776870.db2.gz	ZRSJDOYUDQNIHB-TZMCWYRMSA-N	1	0	350.463	1.558	20	30		FDEDRO
CS[C@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1	ZINC000451320370	682860775	/nfs/dbraw/zinc/86/07/75/682860775.db2.gz	AAXCKNAMIVMCQS-GJZGRUSLSA-N	1	0	364.540	1.894	20	30		FDEDRO
N#CCC1(CS(=O)(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1	ZINC000451380483	682874104	/nfs/dbraw/zinc/87/41/04/682874104.db2.gz	CGBUIDWZXBAGGK-QGZVFWFLSA-N	1	0	363.483	1.366	20	30		FDEDRO
CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2ccc(C#N)c(C)c2)CC1	ZINC000452043499	683009987	/nfs/dbraw/zinc/00/99/87/683009987.db2.gz	BBSOVXHNVWMJLX-UHFFFAOYSA-N	1	0	364.515	1.561	20	30		FDEDRO
C[C@@H]1C[C@@H](O)C[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1	ZINC000452069839	683015870	/nfs/dbraw/zinc/01/58/70/683015870.db2.gz	NHZFQABJSQNOLI-BZUAXINKSA-N	1	0	362.499	1.160	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453672101	683182438	/nfs/dbraw/zinc/18/24/38/683182438.db2.gz	QTYBWMMEEYYBNC-BZNIZROVSA-N	1	0	360.845	1.943	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453672105	683182453	/nfs/dbraw/zinc/18/24/53/683182453.db2.gz	QTYBWMMEEYYBNC-ZBEGNZNMSA-N	1	0	360.845	1.943	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(CC#N)cc3Cl)[C@H]2C1	ZINC000453705284	683191468	/nfs/dbraw/zinc/19/14/68/683191468.db2.gz	UTFPRSWQPYLNKV-BBRMVZONSA-N	1	0	360.845	1.897	20	30		FDEDRO
C[NH+](C)C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CCO1	ZINC000453717596	683194280	/nfs/dbraw/zinc/19/42/80/683194280.db2.gz	JRCHSQYUGXWJOK-ZDUSSCGKSA-N	1	0	364.833	1.134	20	30		FDEDRO
CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000453755782	683206243	/nfs/dbraw/zinc/20/62/43/683206243.db2.gz	GBTSSLGMOWXGBT-LLVKDONJSA-N	1	0	351.838	1.782	20	30		FDEDRO
C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000453767924	683209449	/nfs/dbraw/zinc/20/94/49/683209449.db2.gz	YJLFVGVZHMMJES-GFCCVEGCSA-N	1	0	363.849	1.926	20	30		FDEDRO
N#CC1(CS(=O)(=O)NCCCC[N@H+]2CCC[C@@H]2CO)CCCCC1	ZINC000475802686	685645534	/nfs/dbraw/zinc/64/55/34/685645534.db2.gz	COQZSNHZKHMQRE-MRXNPFEDSA-N	1	0	357.520	1.617	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1	ZINC000455395423	683444140	/nfs/dbraw/zinc/44/41/40/683444140.db2.gz	AGCKYIUZLGEPJU-MSOLQXFVSA-N	1	0	350.507	1.530	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1	ZINC000459044276	684360817	/nfs/dbraw/zinc/36/08/17/684360817.db2.gz	QAEWTABLXLGQBB-KSZLIROESA-N	1	0	350.507	1.532	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000459608250	684431982	/nfs/dbraw/zinc/43/19/82/684431982.db2.gz	PQCSPKTWIODHQU-UHFFFAOYSA-N	1	0	352.870	1.954	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1	ZINC000461900071	684600897	/nfs/dbraw/zinc/60/08/97/684600897.db2.gz	QWBAQIMWHCTKJJ-DLBZAZTESA-N	1	0	363.483	1.269	20	30		FDEDRO
C[NH+](C)[C@@]1(CNS(=O)(=O)Cc2ccc(C#N)cc2F)CCSC1	ZINC000481068621	686288182	/nfs/dbraw/zinc/28/81/82/686288182.db2.gz	IUFZLJUGISAYRQ-OAHLLOKOSA-N	1	0	357.476	1.554	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1	ZINC000481738352	686358943	/nfs/dbraw/zinc/35/89/43/686358943.db2.gz	JFNOEXFCFAMNQA-TWMKSMIVSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1	ZINC000487786778	687002059	/nfs/dbraw/zinc/00/20/59/687002059.db2.gz	ZSIWVMOJQDSNQK-CVEARBPZSA-N	1	0	351.491	1.559	20	30		FDEDRO
C=C[C@H]1CCCC[N@H+]1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1	ZINC000489433386	687098582	/nfs/dbraw/zinc/09/85/82/687098582.db2.gz	UCFZKZIAHRDVNI-INIZCTEOSA-N	1	0	350.507	1.086	20	30		FDEDRO
Cc1ccsc1[C@H](CO)[NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000494643069	687562525	/nfs/dbraw/zinc/56/25/25/687562525.db2.gz	MQCSTCJGIQDATE-HOTGVXAUSA-N	1	0	364.515	1.372	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C)[N@H+](CC)C[C@H]2C)c1	ZINC000498555466	687810257	/nfs/dbraw/zinc/81/02/57/687810257.db2.gz	QNTIIOLLNUUGJM-LSDHHAIUSA-N	1	0	365.499	1.706	20	30		FDEDRO
CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000498665115	687833233	/nfs/dbraw/zinc/83/32/33/687833233.db2.gz	XRVKNBGLJZONKZ-UHFFFAOYSA-N	1	0	367.247	1.716	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCSCC[C@@H]3C)CC2)o1	ZINC000502851029	688307447	/nfs/dbraw/zinc/30/74/47/688307447.db2.gz	DPDRHLGFSINXME-ZDUSSCGKSA-N	1	0	363.487	1.331	20	30		FDEDRO
N#CCNC(=O)CNC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1	ZINC000511909566	689566087	/nfs/dbraw/zinc/56/60/87/689566087.db2.gz	JTYRMFYSCHCUAY-OAHLLOKOSA-N	1	0	363.849	1.416	20	30		FDEDRO
CO[C@@H](CC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C(F)(F)F	ZINC000514933382	689788034	/nfs/dbraw/zinc/78/80/34/689788034.db2.gz	VPSKMCDNFRQLFD-ZDUSSCGKSA-N	1	0	350.362	1.889	20	30		FDEDRO
COC(=O)CC1([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CCCCC1	ZINC000515327324	689841363	/nfs/dbraw/zinc/84/13/63/689841363.db2.gz	MZAUCSCALHBQIR-UHFFFAOYSA-N	1	0	365.455	1.583	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)CC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000517999883	690111659	/nfs/dbraw/zinc/11/16/59/690111659.db2.gz	HNMAQIWWFBQWJG-UHFFFAOYSA-N	1	0	365.909	1.965	20	30		FDEDRO
N#Cc1ccc(CSCC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cc1	ZINC000520765281	690354215	/nfs/dbraw/zinc/35/42/15/690354215.db2.gz	ZWXWFWKRWLPKPP-INIZCTEOSA-N	1	0	360.483	1.247	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N[C@H]1CC[NH2+]C12CCC2	ZINC000528048751	694697203	/nfs/dbraw/zinc/69/72/03/694697203.db2.gz	LZWJGMYHOWDHDQ-ZDUSSCGKSA-N	1	0	370.272	1.884	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1	ZINC000528059128	694698678	/nfs/dbraw/zinc/69/86/78/694698678.db2.gz	DCGXMHKWSWIDAU-KRWDZBQOSA-N	1	0	363.483	1.646	20	30		FDEDRO
COCCC1CC[NH+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1	ZINC000528576575	694735121	/nfs/dbraw/zinc/73/51/21/694735121.db2.gz	BBUWROCBTZDPNH-GOSISDBHSA-N	1	0	350.507	1.427	20	30		FDEDRO
COc1ccc(S(=O)(=O)N2CCC([NH2+]CCC#N)CC2)cc1OC	ZINC000574071699	694912005	/nfs/dbraw/zinc/91/20/05/694912005.db2.gz	KAXFOPRZXXFQLJ-UHFFFAOYSA-N	1	0	353.444	1.360	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC000641671543	696195656	/nfs/dbraw/zinc/19/56/56/696195656.db2.gz	XMAXFDMEMXOAHE-MRXNPFEDSA-N	1	0	365.499	1.186	20	30		FDEDRO
CC(=NNC(=O)C[N+](C)(C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1	ZINC000917564738	717194142	/nfs/dbraw/zinc/19/41/42/717194142.db2.gz	GGZBDDGCMHNOJS-UHFFFAOYSA-N	1	0	361.447	1.178	20	30		FDEDRO
N#Cc1cc(C(F)(F)N2CCCO[C@]3(C[NH2+]CCOC3)C2)cnc1Cl	ZINC001164426265	718914682	/nfs/dbraw/zinc/91/46/82/718914682.db2.gz	YXBBMWPZZDUBAS-OAHLLOKOSA-N	1	0	372.803	1.737	20	30		FDEDRO
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1nc(Cl)ccc1C#N	ZINC001164616120	719014805	/nfs/dbraw/zinc/01/48/05/719014805.db2.gz	KLGDFLYVELKISN-SDDRHHMPSA-N	1	0	370.787	1.881	20	30		FDEDRO
Cc1cc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc(C#N)n1	ZINC001164814054	720227400	/nfs/dbraw/zinc/22/74/00/720227400.db2.gz	RVHQUNKODIJPCV-UHFFFAOYSA-N	1	0	367.457	1.464	20	30		FDEDRO
Cc1cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(C#N)n1	ZINC001164828904	720323339	/nfs/dbraw/zinc/32/33/39/720323339.db2.gz	KJFKOQZRGDYEFO-IAGOWNOFSA-N	1	0	368.485	1.568	20	30		FDEDRO
N#Cc1cnc2cc[nH]c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c1-2	ZINC001164739884	720744904	/nfs/dbraw/zinc/74/49/04/720744904.db2.gz	JFPKXCBESNNFDI-HUUCEWRRSA-N	1	0	361.409	1.566	20	30		FDEDRO
N#Cc1cncc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1	ZINC001164746223	720817561	/nfs/dbraw/zinc/81/75/61/720817561.db2.gz	YOKDHKSXGJTFNU-RYQLBKOJSA-N	1	0	364.457	1.319	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3cc(Cl)cc(C#N)n3)CC[C@H]2C1	ZINC001164851870	720849456	/nfs/dbraw/zinc/84/94/56/720849456.db2.gz	IJCRTXBUXPVOJL-BBRMVZONSA-N	1	0	350.850	1.780	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])cc3C#N)CC[C@H]2C1	ZINC001164854717	720850005	/nfs/dbraw/zinc/85/00/05/720850005.db2.gz	RKUZMGHVRRUVOE-XJKSGUPXSA-N	1	0	361.402	1.035	20	30		FDEDRO
Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5[nH]cc(C#N)c54)C[C@H]3C2)cn1	ZINC001164764445	721072684	/nfs/dbraw/zinc/07/26/84/721072684.db2.gz	HQOGSVFGFZRUOT-GOEBONIOSA-N	1	0	362.441	1.521	20	30		FDEDRO
Cc1ncc(C#N)c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1	ZINC001164868672	721073553	/nfs/dbraw/zinc/07/35/53/721073553.db2.gz	PIXROIOMQGCLPX-MSOLQXFVSA-N	1	0	350.426	1.531	20	30		FDEDRO
Cc1nc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)ccc1C#N	ZINC001164799211	721516427	/nfs/dbraw/zinc/51/64/27/721516427.db2.gz	YWISVMSIMGYFJO-UHFFFAOYSA-N	1	0	351.458	1.226	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@H](C[NH2+]Cc2ccc(C#N)s2)C1	ZINC001087205590	782321113	/nfs/dbraw/zinc/32/11/13/782321113.db2.gz	BXXGXEXNZIDQMM-OLZOCXBDSA-N	1	0	371.466	1.734	20	30		FDEDRO
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)n1	ZINC000277519759	782349153	/nfs/dbraw/zinc/34/91/53/782349153.db2.gz	NVFUJLVINQRFFM-OAHLLOKOSA-N	1	0	372.473	1.581	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)C[N@H+]4CCC[C@H]4C)[C@@H]3C2)nc1	ZINC001022718253	782563495	/nfs/dbraw/zinc/56/34/95/782563495.db2.gz	TWHJZKQZHPCVAD-HHXXYDBFSA-N	1	0	366.465	1.220	20	30		FDEDRO
CC#CCCNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1	ZINC000784903702	769033986	/nfs/dbraw/zinc/03/39/86/769033986.db2.gz	ZDMZOYDBPZCBRQ-UHFFFAOYSA-N	1	0	370.497	1.933	20	30		FDEDRO
Cn1nccc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1	ZINC001020421400	769393394	/nfs/dbraw/zinc/39/33/94/769393394.db2.gz	OQBKQXAFTTZZJW-QBPKDAKJSA-N	1	0	367.428	1.971	20	30		FDEDRO
C=CCNC(=O)c1ccc(NCC2(N3CCOCC3)CC[NH+](C)CC2)nc1	ZINC000413483848	782757695	/nfs/dbraw/zinc/75/76/95/782757695.db2.gz	RZDHCCFLPHDRIO-UHFFFAOYSA-N	1	0	373.501	1.206	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ncc(Cl)s2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104411949	782775988	/nfs/dbraw/zinc/77/59/88/782775988.db2.gz	PNCYLROFRQUTGD-GHMZBOCLSA-N	1	0	369.878	1.124	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C	ZINC001067430728	770046187	/nfs/dbraw/zinc/04/61/87/770046187.db2.gz	ZNUMUCNBBKWXBT-SQNIBIBYSA-N	1	0	365.518	1.757	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)c2ccncc2)C[C@H]1C	ZINC001104224471	770068995	/nfs/dbraw/zinc/06/89/95/770068995.db2.gz	UWFNNWOWIICMMM-CZUORRHYSA-N	1	0	364.877	1.638	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[N@@H+](C)C1	ZINC000969427685	770172213	/nfs/dbraw/zinc/17/22/13/770172213.db2.gz	FFPMWHOSSPHRSE-SFFUCWETSA-N	1	0	361.486	1.121	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+][C@H]2CCCN(C)C2=O)c1	ZINC001087211104	782823558	/nfs/dbraw/zinc/82/35/58/782823558.db2.gz	RTJPTLUCMRKRRZ-MNEFBYGVSA-N	1	0	368.481	1.514	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)C2CCCC2)C[C@H]1C	ZINC001104225696	770371493	/nfs/dbraw/zinc/37/14/93/770371493.db2.gz	ZTUJPISNHLZZBV-SJLPKXTDSA-N	1	0	363.502	1.017	20	30		FDEDRO
C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(Cc2ccc(C#N)c(F)c2)C1	ZINC000969705471	770695778	/nfs/dbraw/zinc/69/57/78/770695778.db2.gz	ZSGFJZCJDFYFAY-PMUMKWKESA-N	1	0	358.461	1.974	20	30		FDEDRO
Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1	ZINC000970013552	771199981	/nfs/dbraw/zinc/19/99/81/771199981.db2.gz	YNLLFOKSMHLDML-DAXOMENPSA-N	1	0	355.467	1.847	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc(C(C)(C)C)[nH]2)C1	ZINC001020726929	771304451	/nfs/dbraw/zinc/30/44/51/771304451.db2.gz	ZGEZOWAHSRZTOT-YXWQFLTLSA-N	1	0	361.490	1.820	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCCC[C@H]2C)C1	ZINC001020728782	771309646	/nfs/dbraw/zinc/30/96/46/771309646.db2.gz	FCCOJAFNEIDVAI-RXYDEIHYSA-N	1	0	363.502	1.605	20	30		FDEDRO
COC(=O)c1cncc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000471244054	771356573	/nfs/dbraw/zinc/35/65/73/771356573.db2.gz	MZMHWUOTHIIGLB-UHFFFAOYSA-N	1	0	351.410	1.847	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1	ZINC000275158078	771368563	/nfs/dbraw/zinc/36/85/63/771368563.db2.gz	ZZANRZBATORKDE-ZDUSSCGKSA-N	1	0	368.359	1.887	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC(N)=O)C1	ZINC001104239978	771610175	/nfs/dbraw/zinc/61/01/75/771610175.db2.gz	ZUUKUGGBAXXEKD-MGPQQGTHSA-N	1	0	352.479	1.246	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1	ZINC000430383778	771728291	/nfs/dbraw/zinc/72/82/91/771728291.db2.gz	JFMKZLFZAKRRLD-AEFFLSMTSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCO[C@H](C)C2)C1	ZINC001104247013	771807519	/nfs/dbraw/zinc/80/75/19/771807519.db2.gz	RRXZZUCWMIRUHB-KZNAEPCWSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]CC1(CCNC(=O)[C@H]2OCC[C@H]2C)CC1	ZINC001167262818	771833726	/nfs/dbraw/zinc/83/37/26/771833726.db2.gz	BCHYDIFXRJBCIK-AEFFLSMTSA-N	1	0	365.518	1.712	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+](CCO)C2CCOCC2)c(OC)c1	ZINC000275494743	771847703	/nfs/dbraw/zinc/84/77/03/771847703.db2.gz	GENRRIQQIRVYRF-GOSISDBHSA-N	1	0	365.470	1.637	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]C[C@@H]2CCNC(=O)CC2)CC1	ZINC001167277217	771855911	/nfs/dbraw/zinc/85/59/11/771855911.db2.gz	DYJCUXZSWODYKZ-BBWFWOEESA-N	1	0	363.502	1.370	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]CCCc2nc(C)no2)CC1	ZINC001167277854	771857099	/nfs/dbraw/zinc/85/70/99/771857099.db2.gz	VNVSXCMRSQMBJM-CVEARBPZSA-N	1	0	362.474	1.778	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]C[C@H](O)COCC(C)C)CC1	ZINC001167277912	771857193	/nfs/dbraw/zinc/85/71/93/771857193.db2.gz	YFVVZXTUUMBXKJ-KSZLIROESA-N	1	0	368.518	1.487	20	30		FDEDRO
C#CCN(C(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1)C1CCCC1	ZINC000785132482	782965770	/nfs/dbraw/zinc/96/57/70/782965770.db2.gz	ZVXMNKPQIMZSQT-UHFFFAOYSA-N	1	0	357.454	1.970	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)OCC)C[C@H]1c1ccccc1	ZINC001211547745	782975302	/nfs/dbraw/zinc/97/53/02/782975302.db2.gz	BNPFVIDHXVITCW-IPMKNSEASA-N	1	0	371.481	1.135	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)cc1	ZINC000972236644	782990215	/nfs/dbraw/zinc/99/02/15/782990215.db2.gz	HDWKMHVVFOJJHA-GUDVDZBRSA-N	1	0	351.450	1.293	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc3nonc3c2)C1	ZINC000970242305	772185317	/nfs/dbraw/zinc/18/53/17/772185317.db2.gz	WHHWZNQVZLGXOM-VKJFTORMSA-N	1	0	356.426	1.895	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1	ZINC000970268628	772223549	/nfs/dbraw/zinc/22/35/49/772223549.db2.gz	WSYJBTUHGORDMB-UWVAXJGDSA-N	1	0	365.518	1.397	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nnnn2C2CC2)C1	ZINC001112512869	782996532	/nfs/dbraw/zinc/99/65/32/782996532.db2.gz	WUMKEPFTCZJDCO-JXFKEZNVSA-N	1	0	370.501	1.920	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1coc3c1C(=O)NCCC3)C2	ZINC001112482262	772326226	/nfs/dbraw/zinc/32/62/26/772326226.db2.gz	LEPOXFXUEPXQSU-XOBRGWDASA-N	1	0	357.454	1.974	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@H]2O)C1	ZINC000970398783	772558738	/nfs/dbraw/zinc/55/87/38/772558738.db2.gz	MJAITKQWMNHEDR-BBWFWOEESA-N	1	0	363.502	1.295	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(Cn3ccnn3)o1)C2	ZINC001112484478	772663184	/nfs/dbraw/zinc/66/31/84/772663184.db2.gz	RRKOWHJSMMMTJA-JXFKEZNVSA-N	1	0	367.453	1.775	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2scnc2CC)C[C@H]1C	ZINC001104270691	772668416	/nfs/dbraw/zinc/66/84/16/772668416.db2.gz	KTEXMGDFNDTSOE-ZIAGYGMSSA-N	1	0	362.499	1.143	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cn(C(C)(C)C)nn2)C[C@H]1C	ZINC001104273119	772708981	/nfs/dbraw/zinc/70/89/81/772708981.db2.gz	MQSIPOYEGBOUEJ-HZPDHXFCSA-N	1	0	363.506	1.924	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnc3[nH]c(C)nc3c2)C[C@H]1C	ZINC001104278248	772737774	/nfs/dbraw/zinc/73/77/74/772737774.db2.gz	MQMJOOYNHDANBP-GDBMZVCRSA-N	1	0	369.469	1.604	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NCC=C)C2)CCC1	ZINC001104279937	772757417	/nfs/dbraw/zinc/75/74/17/772757417.db2.gz	VUHMDDYTPPNFRY-KZNAEPCWSA-N	1	0	359.514	1.945	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3nc(C)nn3C1)C2	ZINC001112486182	772938945	/nfs/dbraw/zinc/93/89/45/772938945.db2.gz	DCHRXSLIAXDPGT-UWVAXJGDSA-N	1	0	357.502	1.943	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnn(-c3cccnc3)c2)C[C@H]1C	ZINC001104287502	773064398	/nfs/dbraw/zinc/06/43/98/773064398.db2.gz	GCTWZLCEKUQTDF-IAGOWNOFSA-N	1	0	351.454	1.978	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c(=O)[nH]c4ccccc43)[C@H]2C1	ZINC001083205984	773528568	/nfs/dbraw/zinc/52/85/68/773528568.db2.gz	BBLRQBZGDGICRJ-DLBZAZTESA-N	1	0	356.426	1.230	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cccc3c2oc(=O)n3C)C[C@H]1C	ZINC001104289465	773550188	/nfs/dbraw/zinc/55/01/88/773550188.db2.gz	JJNHSQYQHNCJLM-HUUCEWRRSA-N	1	0	355.438	1.843	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)NCc2ccc(C#N)cn2)CC1	ZINC000780347796	773782665	/nfs/dbraw/zinc/78/26/65/773782665.db2.gz	XCUYDTPHYZJFKH-UHFFFAOYSA-N	1	0	365.441	1.099	20	30		FDEDRO
C#CCCCc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CC(=C)C	ZINC000909321003	773991922	/nfs/dbraw/zinc/99/19/22/773991922.db2.gz	KWJOVSZCQSWXML-SFHVURJKSA-N	1	0	357.502	1.969	20	30		FDEDRO
C[N@H+](CCO)C1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1	ZINC000275898981	774413009	/nfs/dbraw/zinc/41/30/09/774413009.db2.gz	CZXMXKSWEBVMLI-UHFFFAOYSA-N	1	0	372.469	1.341	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cncs2)C1	ZINC001104306136	774440235	/nfs/dbraw/zinc/44/02/35/774440235.db2.gz	MQPHDCVLOUHQQY-NUJGCVRESA-N	1	0	360.527	1.815	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(=O)N2CCC2)CC1	ZINC001167419727	774523897	/nfs/dbraw/zinc/52/38/97/774523897.db2.gz	JOMTYLCGXOMEEO-WMZOPIPTSA-N	1	0	363.502	1.466	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@]2(C3CCCC3)CCNC2=O)C[C@H]1C	ZINC001104312739	774592989	/nfs/dbraw/zinc/59/29/89/774592989.db2.gz	PTTFDCAKUPADRT-CBGDNZLLSA-N	1	0	359.514	1.780	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1(C[NH2+][C@H](C)c2nncn2C)CC1	ZINC001167435355	774844565	/nfs/dbraw/zinc/84/45/65/774844565.db2.gz	UUSFHNNWUBDHAS-PMPSAXMXSA-N	1	0	361.490	1.733	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2ccnnc2)C1=O	ZINC001087218009	783225687	/nfs/dbraw/zinc/22/56/87/783225687.db2.gz	MMZKYUJTMDTKMX-PVAVHDDUSA-N	1	0	357.458	1.094	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[NH+]1CCC2(CC1)C[C@H](O)CCO2	ZINC000933056547	775123195	/nfs/dbraw/zinc/12/31/95/775123195.db2.gz	QMOFPROLWIRDDK-MRXNPFEDSA-N	1	0	368.433	1.292	20	30		FDEDRO
CCn1nnc(C)c1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC001087143459	775202807	/nfs/dbraw/zinc/20/28/07/775202807.db2.gz	DERTVICUOLHISU-CJNGLKHVSA-N	1	0	369.473	1.837	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cc3n(n2)CCCC3)C[C@H]1C	ZINC001104331143	775397126	/nfs/dbraw/zinc/39/71/26/775397126.db2.gz	PYAGBBHBACAYND-IAGOWNOFSA-N	1	0	358.486	1.557	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1	ZINC001104335353	775488769	/nfs/dbraw/zinc/48/87/69/775488769.db2.gz	NZVYOGPZSRPSSX-RHSMWYFYSA-N	1	0	365.437	1.942	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)c4cc(C)no4)[C@@H]3C2)CC1	ZINC000971294479	775721097	/nfs/dbraw/zinc/72/10/97/775721097.db2.gz	XPIGLVRYTXCRMP-IAGOWNOFSA-N	1	0	370.453	1.001	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@@H]3C2)nc1	ZINC001021802285	775736718	/nfs/dbraw/zinc/73/67/18/775736718.db2.gz	YMDAPLQIMMXUSN-NOCIGQNYSA-N	1	0	366.465	1.076	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)C3CCN(C(=O)CCC)CC3)[C@H]2C1	ZINC001083281894	790386768	/nfs/dbraw/zinc/38/67/68/790386768.db2.gz	GOUKZHYSZVUTTG-ZWKOTPCHSA-N	1	0	363.502	1.513	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@H]32)CC[N@@H+]1C	ZINC001021806722	775788060	/nfs/dbraw/zinc/78/80/60/775788060.db2.gz	ZKZZHTGWIYRTEZ-CWLKWCNXSA-N	1	0	369.469	1.290	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C(CC)CC)[C@@H]3C2)CC1	ZINC000971392241	776219049	/nfs/dbraw/zinc/21/90/49/776219049.db2.gz	PHRCQYXCJJYGJY-RTBURBONSA-N	1	0	359.514	1.827	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3ccc(OC(C)C)cc3)[C@H]2C1	ZINC001083282071	790443052	/nfs/dbraw/zinc/44/30/52/790443052.db2.gz	MUIZHSWFQWOLJR-VQTJNVASSA-N	1	0	356.466	1.951	20	30		FDEDRO
C[C@@H]1CCN(C(=O)CN2CN=NC2=O)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087153332	776474879	/nfs/dbraw/zinc/47/48/79/776474879.db2.gz	PEDPBKZJZUKXHH-PBHICJAKSA-N	1	0	368.441	1.272	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1	ZINC001021880505	776476058	/nfs/dbraw/zinc/47/60/58/776476058.db2.gz	JTGDFVXJMOKPJV-FHLIZLRMSA-N	1	0	354.454	1.581	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)c4cc(C)co4)C[C@H]32)CC1	ZINC001021883382	776482807	/nfs/dbraw/zinc/48/28/07/776482807.db2.gz	FYAIHHDTZSYURP-ZWKOTPCHSA-N	1	0	369.465	1.606	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)c4cc[nH]c4C)C[C@H]32)CC1	ZINC001021883871	776487399	/nfs/dbraw/zinc/48/73/99/776487399.db2.gz	NOKFBUXVRAUHKL-PKOBYXMFSA-N	1	0	368.481	1.341	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CCN(C(=O)C(C)C)CC1)C2	ZINC001112505184	776971355	/nfs/dbraw/zinc/97/13/55/776971355.db2.gz	AGINRQQMNTZEGF-RXVVDRJESA-N	1	0	359.514	1.733	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)CN2CCC(C#N)(c3ccccn3)CC2)CC1	ZINC000376739501	790499590	/nfs/dbraw/zinc/49/95/90/790499590.db2.gz	ZGEBWFHYQLHKFM-UHFFFAOYSA-N	1	0	369.513	1.928	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ncc(F)cc2F)C[C@H]1C	ZINC001104357422	777005910	/nfs/dbraw/zinc/00/59/10/777005910.db2.gz	ZMDKNTXYSJBPSV-CHWSQXEVSA-N	1	0	366.412	1.350	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC000973616623	790504663	/nfs/dbraw/zinc/50/46/63/790504663.db2.gz	BTVKJTGVYMGXPO-DNUGQZQRSA-N	1	0	369.469	1.478	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21	ZINC001022010187	777070286	/nfs/dbraw/zinc/07/02/86/777070286.db2.gz	KHSGXGFETMNTPH-YXJHDRRASA-N	1	0	369.469	1.434	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC3CC3)C2)cc1	ZINC001112505892	777422289	/nfs/dbraw/zinc/42/22/89/777422289.db2.gz	MOEIWSDUBKVLNV-AVRDEDQJSA-N	1	0	365.477	1.778	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2(COCC)CC2)C[C@H]1C	ZINC001104364153	777501349	/nfs/dbraw/zinc/50/13/49/777501349.db2.gz	ZVYXBUVFQOCKCB-HZPDHXFCSA-N	1	0	351.491	1.180	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cccnc2)C[C@H]1c1ccccc1	ZINC001211516689	777524624	/nfs/dbraw/zinc/52/46/24/777524624.db2.gz	BVICKAYUCTYGHG-RBUKOAKNSA-N	1	0	364.449	1.582	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@]2(C)CCOc3ccccc32)CC1	ZINC000933374184	777818322	/nfs/dbraw/zinc/81/83/22/777818322.db2.gz	KQFYNPIWUVBVPK-WIYYLYMNSA-N	1	0	370.497	1.966	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc3nonc3c2)C1	ZINC001022099902	777919009	/nfs/dbraw/zinc/91/90/09/777919009.db2.gz	UHJATEUENGIHKZ-FSZRXZPDSA-N	1	0	356.426	1.941	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@H]1C	ZINC001104368384	777976995	/nfs/dbraw/zinc/97/69/95/777976995.db2.gz	OCSQANWMNNZUIT-BFYDXBDKSA-N	1	0	356.532	1.850	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C#CC2CC2)[C@H](C[NH2+]Cc2cc(=O)n3nccc3[nH]2)C1	ZINC001087164458	778097555	/nfs/dbraw/zinc/09/75/55/778097555.db2.gz	ZOMNDEGEVYOHLW-PBHICJAKSA-N	1	0	367.453	1.153	20	30		FDEDRO
N#Cc1csc(CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)n1	ZINC000891500847	778152059	/nfs/dbraw/zinc/15/20/59/778152059.db2.gz	FYSOIUYCJDKWNZ-UHFFFAOYSA-N	1	0	363.487	1.849	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CCCN(Cc3cnc4n3CCOC4)CC2)cc1	ZINC000891540938	778260090	/nfs/dbraw/zinc/26/00/90/778260090.db2.gz	WQDQMQASRLUBCF-UHFFFAOYSA-N	1	0	351.454	1.993	20	30		FDEDRO
N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cccs2)C[C@H]1c1ccccc1	ZINC001211518972	778336234	/nfs/dbraw/zinc/33/62/34/778336234.db2.gz	GNFWJKHAFUDCGS-JKSUJKDBSA-N	1	0	368.462	1.586	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)Cn2nnc(-c3ccco3)n2)C[C@H]1C	ZINC001104376634	778646964	/nfs/dbraw/zinc/64/69/64/778646964.db2.gz	NFYNZPGTZBTFJB-HUUCEWRRSA-N	1	0	358.446	1.583	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1	ZINC000971705059	778740893	/nfs/dbraw/zinc/74/08/93/778740893.db2.gz	BHJDPAVEIQKPHS-KBAYOESNSA-N	1	0	369.469	1.434	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCNS(C)(=O)=O)C1	ZINC001112507387	778990428	/nfs/dbraw/zinc/99/04/28/778990428.db2.gz	IZRPVIPRBYJLCQ-YJBOKZPZSA-N	1	0	371.547	1.356	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C=C4CCC4)[C@@H]3C2)CC1	ZINC000971775192	779041404	/nfs/dbraw/zinc/04/14/04/779041404.db2.gz	UJNATBFAJCBLGW-RTBURBONSA-N	1	0	355.482	1.501	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@@H](C)C(=O)NC(N)=O)CCCCC1	ZINC001111484052	779251238	/nfs/dbraw/zinc/25/12/38/779251238.db2.gz	TYCJPGKKNAXQQV-JJXSEGSLSA-N	1	0	374.485	1.265	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[C@H]4[NH2+]CC[C@H]43)C2=O)cc1	ZINC000891851722	779752803	/nfs/dbraw/zinc/75/28/03/779752803.db2.gz	NZUZZZJIGGQYEH-FGTMMUONSA-N	1	0	367.453	1.195	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)nn1	ZINC000648371562	790745486	/nfs/dbraw/zinc/74/54/86/790745486.db2.gz	NWXDDJBIEJFGHB-QGZVFWFLSA-N	1	0	355.442	1.485	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@@H](O)COCCOC)C1	ZINC001112508261	780210697	/nfs/dbraw/zinc/21/06/97/780210697.db2.gz	XBWFHVBMKMGRDI-QKLQHJQFSA-N	1	0	368.518	1.441	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c(F)c1	ZINC001022453206	780325750	/nfs/dbraw/zinc/32/57/50/780325750.db2.gz	AUVVEPQAYBNBDN-HHHNKWSNSA-N	1	0	355.413	1.858	20	30		FDEDRO
COc1cc(C[NH2+]Cc2cc(C#N)n(C)c2)ccc1OCC(=O)N(C)C	ZINC000276981819	780469667	/nfs/dbraw/zinc/46/96/67/780469667.db2.gz	SQUFFKTVQLIVIF-UHFFFAOYSA-N	1	0	356.426	1.662	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@H]32)CC[N@@H+]1C	ZINC001022470664	780471928	/nfs/dbraw/zinc/47/19/28/780471928.db2.gz	KFZVIHCVMLUKCU-OWIUFQIYSA-N	1	0	369.469	1.290	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)c1	ZINC001022476014	780560366	/nfs/dbraw/zinc/56/03/66/780560366.db2.gz	QQSFTWKZZDKTGC-QXCZDIPSSA-N	1	0	355.438	1.347	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccnnc2C)C[C@H]1C	ZINC001104390035	780651737	/nfs/dbraw/zinc/65/17/37/780651737.db2.gz	DAODJWHHFJRBHI-VNQPRFMTSA-N	1	0	359.474	1.164	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)CCn3cc(Cl)cn3)[C@H]2C1	ZINC001083282763	790828007	/nfs/dbraw/zinc/82/80/07/790828007.db2.gz	SBBJOPQUOXZNBO-JKSUJKDBSA-N	1	0	352.866	1.804	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4nnc(C)n4C3)[C@H]2C1	ZINC001083282768	790829106	/nfs/dbraw/zinc/82/91/06/790829106.db2.gz	SFZVXUJCIGJTOC-YESZJQIVSA-N	1	0	359.474	1.027	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)C(=O)NCC#C)C1	ZINC001112508362	781002901	/nfs/dbraw/zinc/00/29/01/781002901.db2.gz	BBLGRDYPCFEIQH-IPJJNNNSSA-N	1	0	371.525	1.926	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)c4[nH]ccc4C)[C@@H]3C2)CC1	ZINC000971985623	781326118	/nfs/dbraw/zinc/32/61/18/781326118.db2.gz	BPVZTJKFVKBGPC-QZTJIDSGSA-N	1	0	368.481	1.341	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCC1	ZINC000277291758	781360868	/nfs/dbraw/zinc/36/08/68/781360868.db2.gz	SYJRLCQREMYTHG-QGZVFWFLSA-N	1	0	369.469	1.443	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCC1	ZINC000277291756	781360901	/nfs/dbraw/zinc/36/09/01/781360901.db2.gz	SYJRLCQREMYTHG-KRWDZBQOSA-N	1	0	369.469	1.443	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)c1C#N	ZINC000472074605	781468424	/nfs/dbraw/zinc/46/84/24/781468424.db2.gz	RRARLDTVWGDXTJ-JKSUJKDBSA-N	1	0	373.505	1.305	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)/C=C/c3ccco3)C[C@H]21	ZINC000972834900	783902137	/nfs/dbraw/zinc/90/21/37/783902137.db2.gz	IAPNSEGAIZGEQS-XIJJBZNQSA-N	1	0	367.449	1.450	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C3CC(C)(C)C3)C[C@H]21	ZINC000972835002	783902867	/nfs/dbraw/zinc/90/28/67/783902867.db2.gz	KSAKBSLQIUPFCI-BPQIPLTHSA-N	1	0	357.498	1.580	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]3C2)nc1	ZINC000972859825	783959937	/nfs/dbraw/zinc/95/99/37/783959937.db2.gz	OESBEMXKICUSMS-KBAYOESNSA-N	1	0	354.454	1.076	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C(N)=O)cc2)C1	ZINC001024165785	784175584	/nfs/dbraw/zinc/17/55/84/784175584.db2.gz	WULZDZXAFKEAMI-QRQLOZEOSA-N	1	0	371.481	1.705	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)NCC(=O)NCC#N	ZINC000377048605	791007419	/nfs/dbraw/zinc/00/74/19/791007419.db2.gz	UJPHJFBQTBPPOR-WBVHZDCISA-N	1	0	357.458	1.178	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1c1ccccc1	ZINC001211631403	784798737	/nfs/dbraw/zinc/79/87/37/784798737.db2.gz	DZSKJUSIUVZKEH-DLBZAZTESA-N	1	0	368.437	1.109	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCCCNC(N)=O)C[C@H]1c1ccccc1	ZINC001211631895	784926284	/nfs/dbraw/zinc/92/62/84/784926284.db2.gz	UWVMIJREHFGVSO-ZWKOTPCHSA-N	1	0	356.470	1.433	20	30		FDEDRO
N#Cc1ccc(CN2CCCC[C@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)c(F)c1	ZINC001024656224	785634525	/nfs/dbraw/zinc/63/45/25/785634525.db2.gz	JBBDBRDNACRDJQ-XHSDSOJGSA-N	1	0	358.417	1.289	20	30		FDEDRO
N#Cc1ccc(F)c(CN2CCCC[C@@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)c1	ZINC001024657030	785637612	/nfs/dbraw/zinc/63/76/12/785637612.db2.gz	WIGHNDYYILJJKA-OAGGEKHMSA-N	1	0	358.417	1.289	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC[N@H+](C)C[C@@H](C(=O)OC)C2)cc1OC	ZINC000413923989	785810035	/nfs/dbraw/zinc/81/00/35/785810035.db2.gz	RTHZAQQZQBWFPN-OAHLLOKOSA-N	1	0	362.426	1.437	20	30		FDEDRO
COc1cccc(CN(C)C(=O)CON=C(N)C[N@@H+]2CCCC[C@@H]2C)c1	ZINC000177592291	785855092	/nfs/dbraw/zinc/85/50/92/785855092.db2.gz	HEZKGHPNNRVWGT-HNNXBMFYSA-N	1	0	362.474	1.817	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2nonc2C)C[C@H]1c1ccccc1	ZINC001211734522	785912303	/nfs/dbraw/zinc/91/23/03/785912303.db2.gz	WXGCJXWJBXDCBI-DLBZAZTESA-N	1	0	354.410	1.226	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)CC1	ZINC001024863411	786646086	/nfs/dbraw/zinc/64/60/86/786646086.db2.gz	BLLNSPWDIPJNMU-QZTJIDSGSA-N	1	0	368.437	1.382	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)[C@@H]3C2)s1	ZINC000978765862	805752338	/nfs/dbraw/zinc/75/23/38/805752338.db2.gz	YXYKLLRXKWYMLO-MDQLUDAQSA-N	1	0	357.479	1.981	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)nc1	ZINC000892590288	787511703	/nfs/dbraw/zinc/51/17/03/787511703.db2.gz	ZQIWUICDGFZGFS-YYIAUSFCSA-N	1	0	355.442	1.647	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1	ZINC000892605456	787622677	/nfs/dbraw/zinc/62/26/77/787622677.db2.gz	QBTALTFOCCUPKW-BJWYYQGGSA-N	1	0	354.458	1.315	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2CC3(CCC3)C2)C[C@H]1C	ZINC001104552992	787763699	/nfs/dbraw/zinc/76/36/99/787763699.db2.gz	RRPVRRMUYWROOV-IXDOHACOSA-N	1	0	359.514	1.779	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCNC(C)=O)C1	ZINC001104563192	787920439	/nfs/dbraw/zinc/92/04/39/787920439.db2.gz	JQUCSLFCBIWGCX-ZHALLVOQSA-N	1	0	367.534	1.816	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1	ZINC000659090836	787985984	/nfs/dbraw/zinc/98/59/84/787985984.db2.gz	DKQJXWODYRSBBG-ZBFHGGJFSA-N	1	0	372.473	1.076	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2occc2C(C)C)C[C@H]1C	ZINC001104576928	788312994	/nfs/dbraw/zinc/31/29/94/788312994.db2.gz	DHKLQTHCXSSTIX-HZPDHXFCSA-N	1	0	359.470	1.840	20	30		FDEDRO
COc1nn(C)cc1NC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1	ZINC000330005545	788443565	/nfs/dbraw/zinc/44/35/65/788443565.db2.gz	BZQNHZPIJRTVJU-UHFFFAOYSA-N	1	0	364.494	1.465	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1	ZINC000973317453	788540550	/nfs/dbraw/zinc/54/05/50/788540550.db2.gz	RIQSYKKLVZHIDV-WSRJKRBPSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)Cc3c(C)nn(C)c3C)[C@H]2C1	ZINC001083279731	788680460	/nfs/dbraw/zinc/68/04/60/788680460.db2.gz	MXWKHKNJMVDRIF-MDASCCDHSA-N	1	0	360.502	1.703	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCN(CC(F)(F)F)C2)C[C@H]1C	ZINC001104590311	788768807	/nfs/dbraw/zinc/76/88/07/788768807.db2.gz	LPJNJIZYQDYTEN-OAGGEKHMSA-N	1	0	359.436	1.968	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2Cc3ccccc32)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104604722	788827988	/nfs/dbraw/zinc/82/79/88/788827988.db2.gz	CYGMZFRLJKMQHS-KYJSFNMBSA-N	1	0	354.454	1.040	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN(C)S(C)(=O)=O)C1	ZINC001104606870	788847587	/nfs/dbraw/zinc/84/75/87/788847587.db2.gz	GASLXWRIWFTPRA-HZPDHXFCSA-N	1	0	359.536	1.308	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC[C@H]2CCOC2)C1	ZINC001104607325	788848998	/nfs/dbraw/zinc/84/89/98/788848998.db2.gz	PDUGCPQENNDPKO-KZNAEPCWSA-N	1	0	365.518	1.570	20	30		FDEDRO
N#CC1CCC(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1	ZINC000376600455	789067927	/nfs/dbraw/zinc/06/79/27/789067927.db2.gz	SHRVQAPHKCCXEL-ABHNRTSZSA-N	1	0	363.506	1.022	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCN3CCNC3=O)C2)CCC1	ZINC001104639792	789111604	/nfs/dbraw/zinc/11/16/04/789111604.db2.gz	WOVARXHJWOEFED-IAGOWNOFSA-N	1	0	362.518	1.832	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2c[nH]c(=O)cc2C)C[C@H]1C	ZINC001104665024	789232043	/nfs/dbraw/zinc/23/20/43/789232043.db2.gz	HKVQXMDUMQCDHY-HUUCEWRRSA-N	1	0	360.458	1.086	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cccc(-n3cccn3)n2)C[C@H]1C	ZINC001104667709	789274600	/nfs/dbraw/zinc/27/46/00/789274600.db2.gz	XFEXNFSFUPYKEX-IAGOWNOFSA-N	1	0	351.454	1.978	20	30		FDEDRO
C=C(Br)C[NH2+]CC[C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1C	ZINC001104698813	789495980	/nfs/dbraw/zinc/49/59/80/789495980.db2.gz	NPNBXBYRDUIFFS-DGCLKSJQSA-N	1	0	370.295	1.720	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)N3C[C@@H](C)[C@H](CO)C3)cn2)CC1	ZINC000330070721	791356460	/nfs/dbraw/zinc/35/64/60/791356460.db2.gz	XIPISISBGMMCGS-WBVHZDCISA-N	1	0	361.490	1.198	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC23CCN(c2ccc(C#N)nn2)CC3)CC[N@@H+]1C	ZINC001058655735	791700218	/nfs/dbraw/zinc/70/02/18/791700218.db2.gz	IVDKITPTHAGOIA-GVDBMIGSSA-N	1	0	368.485	1.554	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CC23CCN(c2cncc(C#N)n2)CC3)CC[N@@H+]1C	ZINC001058655762	791700653	/nfs/dbraw/zinc/70/06/53/791700653.db2.gz	JUOMQQRBUTXGJM-BMFZPTHFSA-N	1	0	354.458	1.164	20	30		FDEDRO
N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1	ZINC000415275344	791823011	/nfs/dbraw/zinc/82/30/11/791823011.db2.gz	VLLSHDOFKAEJOS-CQSZACIVSA-N	1	0	365.393	1.634	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1	ZINC001025691854	791835469	/nfs/dbraw/zinc/83/54/69/791835469.db2.gz	WYZHVRWMRNMUJN-CLCXKQKWSA-N	1	0	351.491	1.009	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCC2([NH3+])CCCCC2)cc1	ZINC000415290119	791857906	/nfs/dbraw/zinc/85/79/06/791857906.db2.gz	FWBDAGOEOVFBEE-UHFFFAOYSA-N	1	0	373.457	1.710	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1	ZINC000892942903	791878536	/nfs/dbraw/zinc/87/85/36/791878536.db2.gz	BCVXKYCZRPJIRC-RTBURBONSA-N	1	0	372.469	1.752	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCC[NH2+]CC2)cc1	ZINC000415316998	791922188	/nfs/dbraw/zinc/92/21/88/791922188.db2.gz	KUQVSHUPLZKQQB-UHFFFAOYSA-N	1	0	370.453	1.261	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCCCS(N)(=O)=O)C1	ZINC001112031648	791936504	/nfs/dbraw/zinc/93/65/04/791936504.db2.gz	UOGALIPFHJDNIG-RDJZCZTQSA-N	1	0	357.520	1.382	20	30		FDEDRO
COC(=O)c1ccn(CC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)n1	ZINC000888954852	806112160	/nfs/dbraw/zinc/11/21/60/806112160.db2.gz	UTKDXIJPFQUOND-UHFFFAOYSA-N	1	0	369.425	1.132	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[N@@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)cc1	ZINC000377518271	792112994	/nfs/dbraw/zinc/11/29/94/792112994.db2.gz	FRAJMZHZXOTJKJ-SFHVURJKSA-N	1	0	370.453	1.600	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]1C	ZINC001104748494	792207169	/nfs/dbraw/zinc/20/71/69/792207169.db2.gz	RVJOKNULZCLSKU-DGCLKSJQSA-N	1	0	350.912	1.636	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1	ZINC000415426323	792245581	/nfs/dbraw/zinc/24/55/81/792245581.db2.gz	NAAXINNPAPWHLQ-KRWDZBQOSA-N	1	0	372.469	1.565	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC[NH2+]1	ZINC000415438863	792257105	/nfs/dbraw/zinc/25/71/05/792257105.db2.gz	QKASVFVIKKJQLZ-ZDUSSCGKSA-N	1	0	365.393	1.504	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1	ZINC000415437665	792270578	/nfs/dbraw/zinc/27/05/78/792270578.db2.gz	KQIVWIOUUACGHC-UKRRQHHQSA-N	1	0	358.442	1.870	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NCC[NH2+]C1CCCCCC1	ZINC000415451176	792286133	/nfs/dbraw/zinc/28/61/33/792286133.db2.gz	MTVHBFJTJYJJLD-UHFFFAOYSA-N	1	0	358.442	1.934	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1	ZINC000415482355	792348725	/nfs/dbraw/zinc/34/87/25/792348725.db2.gz	LGRUKUABZZCEPQ-ZBFHGGJFSA-N	1	0	356.426	1.661	20	30		FDEDRO
C[C@]1(CNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)CCC[NH2+]C1	ZINC000415576644	792574934	/nfs/dbraw/zinc/57/49/34/792574934.db2.gz	WODHHYSHCIFHFH-IBGZPJMESA-N	1	0	358.442	1.814	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1	ZINC000415609268	792686827	/nfs/dbraw/zinc/68/68/27/792686827.db2.gz	VNZDWFMIJKPVSV-LJQANCHMSA-N	1	0	356.426	1.520	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)cc1C#N	ZINC000415680401	792793743	/nfs/dbraw/zinc/79/37/43/792793743.db2.gz	RBPQZICTLFIUJU-CQSZACIVSA-N	1	0	358.442	1.871	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1	ZINC000415747049	792919547	/nfs/dbraw/zinc/91/95/47/792919547.db2.gz	OJECQKKFEVLRBL-GJZGRUSLSA-N	1	0	356.426	1.376	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1	ZINC000415758525	792930640	/nfs/dbraw/zinc/93/06/40/792930640.db2.gz	DBRRQSVAZYKENG-BBRMVZONSA-N	1	0	371.441	1.143	20	30		FDEDRO
C[C@]1(F)CNCCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000415779027	792976376	/nfs/dbraw/zinc/97/63/76/792976376.db2.gz	IUFAUFHVHJETKX-HNNXBMFYSA-N	1	0	372.322	1.676	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1	ZINC000415807530	793013363	/nfs/dbraw/zinc/01/33/63/793013363.db2.gz	LEGCPTIVYWUPIF-HUUCEWRRSA-N	1	0	358.442	1.918	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1	ZINC000415814206	793046539	/nfs/dbraw/zinc/04/65/39/793046539.db2.gz	CZDLGHLRYRUTNR-HUUCEWRRSA-N	1	0	356.426	1.353	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1	ZINC000415823770	793082791	/nfs/dbraw/zinc/08/27/91/793082791.db2.gz	UDEYDBNYVRSZSR-HOTGVXAUSA-N	1	0	371.485	1.901	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(n2cc(C[NH2+]CC[C@@H](C)F)nn2)C1	ZINC001105342675	806212489	/nfs/dbraw/zinc/21/24/89/806212489.db2.gz	QNUGYUOMHXYNPF-COXVUDFISA-N	1	0	365.453	1.480	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(n2cc(C[NH2+]CCC3CC3)nn2)C1	ZINC001105342744	806214625	/nfs/dbraw/zinc/21/46/25/806214625.db2.gz	UIWLZOSPUBPFMW-ROUUACIJSA-N	1	0	359.474	1.532	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)ccc1OC(F)(F)F	ZINC000415843032	793159187	/nfs/dbraw/zinc/15/91/87/793159187.db2.gz	RWZJMGCQPYMDDK-MWLCHTKSSA-N	1	0	370.331	1.639	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)c(F)c1	ZINC000415863549	793237089	/nfs/dbraw/zinc/23/70/89/793237089.db2.gz	UPLDLNLVWPEYNX-UHFFFAOYSA-N	1	0	370.428	1.906	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1	ZINC000377967236	793271650	/nfs/dbraw/zinc/27/16/50/793271650.db2.gz	ONYACRNKSQXAGO-WCRBZPEASA-N	1	0	351.494	1.980	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3C(=O)Nc4ccccc43)[C@H]2C1	ZINC001083290020	793307380	/nfs/dbraw/zinc/30/73/80/793307380.db2.gz	CTSCMHVJDWTMQY-RYQLBKOJSA-N	1	0	355.438	1.600	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)n1	ZINC000378029626	793420547	/nfs/dbraw/zinc/42/05/47/793420547.db2.gz	VCRSANVRFCWNMB-LJQANCHMSA-N	1	0	364.465	1.704	20	30		FDEDRO
C=C(Br)C[NH2+]CC[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C	ZINC001104764219	793535302	/nfs/dbraw/zinc/53/53/02/793535302.db2.gz	HOQDAXSYJHEKMC-DGCLKSJQSA-N	1	0	360.296	1.448	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1	ZINC001104765705	793537932	/nfs/dbraw/zinc/53/79/32/793537932.db2.gz	NOZKKXRLKBKGHY-CRAIPNDOSA-N	1	0	356.470	1.611	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCCOC(C)C)C2)nn1	ZINC001104769258	793555339	/nfs/dbraw/zinc/55/53/39/793555339.db2.gz	MFXBUFXDKJEYSC-IAGOWNOFSA-N	1	0	363.506	1.967	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ccn(C)n3)C2)nn1	ZINC001104777301	793598874	/nfs/dbraw/zinc/59/88/74/793598874.db2.gz	DLLWLCHDJWJAJM-HZPDHXFCSA-N	1	0	371.489	1.476	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CCn2cccn2)C[C@H]1C(F)(F)F	ZINC001112048941	793611405	/nfs/dbraw/zinc/61/14/05/793611405.db2.gz	RZIFZFHQUBQBPL-ZIAGYGMSSA-N	1	0	360.380	1.455	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1	ZINC001104791144	793688316	/nfs/dbraw/zinc/68/83/16/793688316.db2.gz	PELRTNYCDOAODW-RHSMWYFYSA-N	1	0	352.442	1.575	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH+]2CCC([C@@]3(C)NC(=O)NC3=O)CC2)cc1	ZINC000378337852	793967831	/nfs/dbraw/zinc/96/78/31/793967831.db2.gz	BDOIYYMZPVLRNK-BFUOFWGJSA-N	1	0	356.426	1.788	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)CCN1C1CC[NH+](C)CC1	ZINC000378373411	794038077	/nfs/dbraw/zinc/03/80/77/794038077.db2.gz	WHVXZAUBWHUUOH-QGZVFWFLSA-N	1	0	370.497	1.758	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCNC(=O)c1ccn(-c2cccc(C#N)c2)n1	ZINC000290716248	794042349	/nfs/dbraw/zinc/04/23/49/794042349.db2.gz	UYDIWQQOWPXEAW-UHFFFAOYSA-N	1	0	354.458	1.357	20	30		FDEDRO
N#CCCn1ccc(NC(=O)Nc2cnn(CC[NH+]3CCCCC3)c2)n1	ZINC000378381575	794056785	/nfs/dbraw/zinc/05/67/85/794056785.db2.gz	VMWFLDLRLCCFIN-UHFFFAOYSA-N	1	0	356.434	2.123	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)Cc2cnn(C)c2)C[C@H]1C	ZINC001104852666	794076983	/nfs/dbraw/zinc/07/69/83/794076983.db2.gz	UYUWNANXQINUOI-YQVWRLOYSA-N	1	0	360.502	1.323	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cn3nccc3nc2C)C[C@H]1C	ZINC001104853442	794080084	/nfs/dbraw/zinc/08/00/84/794080084.db2.gz	COFAIVWQDLXWRM-NVXWUHKLSA-N	1	0	369.469	1.375	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)CCOC)C[C@H]1C	ZINC001104858301	794097477	/nfs/dbraw/zinc/09/74/77/794097477.db2.gz	DHQIQNRQWGYRIP-BRWVUGGUSA-N	1	0	367.534	1.814	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C(F)(F)F	ZINC001112060210	794191344	/nfs/dbraw/zinc/19/13/44/794191344.db2.gz	XOUILRKVOKGVOC-CHWSQXEVSA-N	1	0	370.437	1.756	20	30		FDEDRO
Cc1cc(NC(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)nn1CCC#N	ZINC000378520973	794259703	/nfs/dbraw/zinc/25/97/03/794259703.db2.gz	OHVGNRPQHIBUGG-CVEARBPZSA-N	1	0	360.462	1.728	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(N3CCCC3)ncn1)C2	ZINC001112529959	806319524	/nfs/dbraw/zinc/31/95/24/806319524.db2.gz	XKLMYGCBSDUGBH-JXFKEZNVSA-N	1	0	353.470	1.542	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)COc2ccsc2)C[C@H]1C	ZINC001104910668	794365098	/nfs/dbraw/zinc/36/50/98/794365098.db2.gz	LWXWZLKYECUAIM-HZPDHXFCSA-N	1	0	350.484	1.851	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1	ZINC000378603017	794392479	/nfs/dbraw/zinc/39/24/79/794392479.db2.gz	YZHHUKKJRVPOJA-CABCVRRESA-N	1	0	356.426	1.613	20	30		FDEDRO
Cc1ccc([C@@H](C)C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)cc1	ZINC001104921577	794403767	/nfs/dbraw/zinc/40/37/67/794403767.db2.gz	IXCLZFWJHWUUHM-ZHALLVOQSA-N	1	0	370.497	1.813	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cn(C)nn3)C2)nc1	ZINC001104924090	794420807	/nfs/dbraw/zinc/42/08/07/794420807.db2.gz	GBADTACOWHRVSM-GDBMZVCRSA-N	1	0	352.442	1.079	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCC)C1	ZINC001112064515	794433511	/nfs/dbraw/zinc/43/35/11/794433511.db2.gz	HMMJQONOUQYOGH-BFHYXJOUSA-N	1	0	352.397	1.983	20	30		FDEDRO
COC(=O)c1cn([C@H]2CC[N@H+](Cc3ccc(N(C)CCC#N)cc3)C2)nn1	ZINC000363908148	794522127	/nfs/dbraw/zinc/52/21/27/794522127.db2.gz	NWAZOUGMBVSYOE-KRWDZBQOSA-N	1	0	368.441	1.862	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2C)C1	ZINC001104954673	794552213	/nfs/dbraw/zinc/55/22/13/794552213.db2.gz	NWAMDWNYEOSPRF-CRAIPNDOSA-N	1	0	366.469	1.008	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cc3c(cn2)nc[nH]c3=O)C[C@H]1C	ZINC001104961834	794591202	/nfs/dbraw/zinc/59/12/02/794591202.db2.gz	YVNJNEXCUJPDAJ-ZIAGYGMSSA-N	1	0	353.426	1.442	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1	ZINC001112067941	794632147	/nfs/dbraw/zinc/63/21/47/794632147.db2.gz	ARQFZSDLPLINMJ-BFHYXJOUSA-N	1	0	361.408	1.848	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000974188699	794679185	/nfs/dbraw/zinc/67/91/85/794679185.db2.gz	VEUOTQGTYCZPNY-ZKZVPCBQSA-N	1	0	363.502	1.461	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2c(C)onc2CC)C[C@H]1C	ZINC001105002386	794833183	/nfs/dbraw/zinc/83/31/83/794833183.db2.gz	GNWLNSMMHDOMMC-UKRRQHHQSA-N	1	0	362.474	1.535	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CS(=O)(=O)CCC)C[C@H]1C	ZINC001105025853	794956836	/nfs/dbraw/zinc/95/68/36/794956836.db2.gz	IJEZLRVPHSKFLQ-HZPDHXFCSA-N	1	0	360.520	1.088	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccnc(-n3ccnc3)c2)C[C@H]1C	ZINC001105025683	794967094	/nfs/dbraw/zinc/96/70/94/794967094.db2.gz	DWPNFHZFCDOFPX-SJLPKXTDSA-N	1	0	351.454	1.978	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)COc2ccc(C(N)=O)cc2)C[C@H]1C	ZINC001105030981	794978107	/nfs/dbraw/zinc/97/81/07/794978107.db2.gz	COJSFWAOHUHRMO-NVXWUHKLSA-N	1	0	357.454	1.262	20	30		FDEDRO
COC[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C	ZINC001105045037	795052636	/nfs/dbraw/zinc/05/26/36/795052636.db2.gz	KNNRNPCEFBAMPC-RLLQIKCJSA-N	1	0	358.482	1.510	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)COc2cccc(C(N)=O)c2)C[C@H]1C	ZINC001105058853	795091376	/nfs/dbraw/zinc/09/13/76/795091376.db2.gz	AUSNHDXDPWSHLY-NVXWUHKLSA-N	1	0	357.454	1.262	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)C2CCC2)C[C@H]1C	ZINC001105060627	795103315	/nfs/dbraw/zinc/10/33/15/795103315.db2.gz	NLYFMDMZPJGKIE-NVXWUHKLSA-N	1	0	351.491	1.180	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)NC(=O)NCC=C)C[C@H]1C	ZINC001105064250	795109273	/nfs/dbraw/zinc/10/92/73/795109273.db2.gz	FSNNHEGDTBDQHJ-HZPDHXFCSA-N	1	0	350.507	1.901	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](O)COCC(C)C)C1	ZINC001105090194	795233533	/nfs/dbraw/zinc/23/35/33/795233533.db2.gz	MMARODDFIYOLCL-QRVBRYPASA-N	1	0	370.534	1.687	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNC(=O)C(=O)Nc2cccc(C#N)c2C)CC1	ZINC000431965585	795443149	/nfs/dbraw/zinc/44/31/49/795443149.db2.gz	GMYMMNABGQOHJO-UHFFFAOYSA-N	1	0	372.469	1.811	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CCC[C@H]([NH3+])C3)C2=O)cc1	ZINC000417991360	795446483	/nfs/dbraw/zinc/44/64/83/795446483.db2.gz	KKWAEHOWURUJBW-UXLLHSPISA-N	1	0	355.442	1.623	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3CCC[C@H]([NH3+])C3)C2=O)cc1	ZINC000417991364	795446751	/nfs/dbraw/zinc/44/67/51/795446751.db2.gz	KKWAEHOWURUJBW-ZOBUZTSGSA-N	1	0	355.442	1.623	20	30		FDEDRO
C#CCNCc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3sccc3C)C2)nn1	ZINC001105240499	795522389	/nfs/dbraw/zinc/52/23/89/795522389.db2.gz	PNHCBUQBBCAJIQ-HZPDHXFCSA-N	1	0	355.467	1.558	20	30		FDEDRO
N#CCOc1ccc(C[NH2+]C2CCC(NC(=O)[C@H]3C[C@H]3C(N)=O)CC2)cc1	ZINC001026561786	795548491	/nfs/dbraw/zinc/54/84/91/795548491.db2.gz	XHECNYCDMVXLQL-UQVLAFNGSA-N	1	0	370.453	1.227	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1	ZINC001211655298	795552358	/nfs/dbraw/zinc/55/23/58/795552358.db2.gz	GXHQQSBKSNHJJB-XUVXKRRUSA-N	1	0	367.493	1.995	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC([NH2+]CC(=O)N2CCCCC2)CC1	ZINC001026560396	795554513	/nfs/dbraw/zinc/55/45/13/795554513.db2.gz	MPAZIUGCPWXMHG-HIEASXQVSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCC2CC2)C1	ZINC001112092580	795730230	/nfs/dbraw/zinc/73/02/30/795730230.db2.gz	FWEKBICCZMPDDW-IIAWOOMASA-N	1	0	364.408	1.719	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)CC(=C)C)C[C@H]1c1ccccc1	ZINC001211655670	795739537	/nfs/dbraw/zinc/73/95/37/795739537.db2.gz	SRUDQAQEJNOSGC-YSIASYRMSA-N	1	0	367.493	1.922	20	30		FDEDRO
C#Cc1cccc(NC(=S)N2CCN(C(=O)C[NH+](CC)CC)CC2)c1	ZINC000728791812	795856978	/nfs/dbraw/zinc/85/69/78/795856978.db2.gz	HUFPNBFYIYLEPZ-UHFFFAOYSA-N	1	0	358.511	1.851	20	30		FDEDRO
CC(C)[C@@H]([NH3+])CNC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000418395861	795865799	/nfs/dbraw/zinc/86/57/99/795865799.db2.gz	CKXQIIJUJHIXEA-KRWDZBQOSA-N	1	0	366.469	1.921	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)NC[C@H]([NH3+])c3ccccc3)CC2)n1	ZINC000418426825	795906423	/nfs/dbraw/zinc/90/64/23/795906423.db2.gz	KKCOLDHBDFOYPP-KRWDZBQOSA-N	1	0	350.426	1.485	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])C[C@]12c1ccccc1NC2=O	ZINC000418482613	795978719	/nfs/dbraw/zinc/97/87/19/795978719.db2.gz	YUMYFFSRWZYKIT-FAYLSGKYSA-N	1	0	353.426	1.169	20	30		FDEDRO
C[C@H](CC[NH3+])NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000418514648	796047075	/nfs/dbraw/zinc/04/70/75/796047075.db2.gz	AXSARXITZAVMGL-CYBMUJFWSA-N	1	0	355.446	1.295	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CCCC(C)C)nn2)C1	ZINC001105328749	796117939	/nfs/dbraw/zinc/11/79/39/796117939.db2.gz	UCXUSYPLVOXJGH-MSOLQXFVSA-N	1	0	361.490	1.778	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000979865331	806551972	/nfs/dbraw/zinc/55/19/72/806551972.db2.gz	XPQRYACHUUNSKM-WJQMWINMSA-N	1	0	363.502	1.319	20	30		FDEDRO
C#Cc1ccc(C(=O)N(CCC(=O)OCC)C[C@H]2CCC[N@@H+]2CC)cn1	ZINC000728862461	806599869	/nfs/dbraw/zinc/59/98/69/806599869.db2.gz	PYHSMOVMTQMNOY-GOSISDBHSA-N	1	0	357.454	1.943	20	30		FDEDRO
C=CC[C@]1(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)CCC[NH2+]1	ZINC000662474207	806703069	/nfs/dbraw/zinc/70/30/69/806703069.db2.gz	UHGAFXNFXMHPEP-HXUWFJFHSA-N	1	0	357.454	1.725	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCN(C(=O)c3ccc(OC)cc3)CC2)CCC[NH2+]1	ZINC000662472273	806708781	/nfs/dbraw/zinc/70/87/81/806708781.db2.gz	MFDDHOGFCVLFED-HXUWFJFHSA-N	1	0	357.454	1.678	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(CCOc3ccccc3)CC2)CC1	ZINC000128581894	806763597	/nfs/dbraw/zinc/76/35/97/806763597.db2.gz	LFCUMVSNQXRBHZ-UHFFFAOYSA-N	1	0	355.482	1.555	20	30		FDEDRO
CC1(C)C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@]12C[C@H]1COC2	ZINC000974614140	799938905	/nfs/dbraw/zinc/93/89/05/799938905.db2.gz	FFEADOKUNXDRAW-CDXJDZJCSA-N	1	0	369.465	1.952	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cn(C(C)C)nn2)C1	ZINC001026850492	799992508	/nfs/dbraw/zinc/99/25/08/799992508.db2.gz	XEXDQXZZZGSTFS-JQHSSLGASA-N	1	0	361.490	1.778	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCCN1CCCC1=O	ZINC001027888336	806821490	/nfs/dbraw/zinc/82/14/90/806821490.db2.gz	MKYMSKVADATXGY-KSZLIROESA-N	1	0	363.502	1.561	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]21	ZINC000974976256	800629359	/nfs/dbraw/zinc/62/93/59/800629359.db2.gz	UJNUPNZNEUZRIP-BMGDILEWSA-N	1	0	354.454	1.581	20	30		FDEDRO
Cc1c(C(=O)N2CC[C@@H]3CN(C(=O)[C@H](C)C#N)[C@@H]3C2)ccc2c[nH+]cn21	ZINC000974984185	800684574	/nfs/dbraw/zinc/68/45/74/800684574.db2.gz	BTIGLSQCXQKIEH-SUYBPPKGSA-N	1	0	351.410	1.475	20	30		FDEDRO
C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(OCC#N)cc2)C1	ZINC001027071878	800878038	/nfs/dbraw/zinc/87/80/38/800878038.db2.gz	UXWIBTWMNYJWAF-SUMDDJOVSA-N	1	0	357.454	1.952	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCCCCN2C(=O)c3ccccc3C2=O)CCC[NH2+]1	ZINC000662598581	806867636	/nfs/dbraw/zinc/86/76/36/806867636.db2.gz	WMBQBHRLAONKML-FQEVSTJZSA-N	1	0	355.438	1.877	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nc(CC3CC3)no2)C1	ZINC001027076368	800891313	/nfs/dbraw/zinc/89/13/13/800891313.db2.gz	LTXPGLOZUZCMQA-XHSDSOJGSA-N	1	0	360.458	1.551	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnc(C(C)(C)C)o2)C1	ZINC001027076801	800892432	/nfs/dbraw/zinc/89/24/32/800892432.db2.gz	VAXRVDREWFDPEL-KFWWJZLASA-N	1	0	362.474	1.896	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cc3n(n2)CCCC3)C1	ZINC001027076979	800892795	/nfs/dbraw/zinc/89/27/95/800892795.db2.gz	ZGACUOQVRKCZRW-LZQZEXGQSA-N	1	0	358.486	1.749	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cn(CC)nn2)C1	ZINC001027114154	800978568	/nfs/dbraw/zinc/97/85/68/800978568.db2.gz	RFINMMPULFRMHN-NJAFHUGGSA-N	1	0	361.490	1.607	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnnn2C(C)C)C1	ZINC001027117115	801013658	/nfs/dbraw/zinc/01/36/58/801013658.db2.gz	QGPIDKOHRIBZNC-ZOBUZTSGSA-N	1	0	362.478	1.173	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1c1ccccc1	ZINC001211661853	801020534	/nfs/dbraw/zinc/02/05/34/801020534.db2.gz	JJQFTXOCTBSOEH-DLBZAZTESA-N	1	0	365.499	1.215	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3CC)C2)CC1	ZINC000975327894	801154380	/nfs/dbraw/zinc/15/43/80/801154380.db2.gz	GRKFNHYBSXQFBN-ZHALLVOQSA-N	1	0	359.514	1.733	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@H]2C1	ZINC000975619998	801713326	/nfs/dbraw/zinc/71/33/26/801713326.db2.gz	ITBVSJAYKQKEGZ-JQFCIGGWSA-N	1	0	355.442	1.044	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)[C@@H](C)C4CC4)C[C@@H]32)CC1	ZINC000975644358	801828317	/nfs/dbraw/zinc/82/83/17/801828317.db2.gz	NEXQWKXWNVJEKU-QRFRQXIXSA-N	1	0	371.525	1.827	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCN(Cc3cn4ccccc4n3)CC2)CCC[NH2+]1	ZINC000662670931	806944104	/nfs/dbraw/zinc/94/41/04/806944104.db2.gz	OGNZOWITKDAUPU-FQEVSTJZSA-N	1	0	353.470	1.677	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21	ZINC000975722479	802079154	/nfs/dbraw/zinc/07/91/54/802079154.db2.gz	WGXARDNPHXRZLR-ULQDDVLXSA-N	1	0	360.502	1.860	20	30		FDEDRO
CC(C)[C@H](C(=O)N1CC[C@H]2CCN(C(=O)C#CC3CC3)[C@H]2C1)[NH+]1CCCC1	ZINC000975753594	802205294	/nfs/dbraw/zinc/20/52/94/802205294.db2.gz	PYTJKTUCWLKAQY-IRFCIJBXSA-N	1	0	371.525	1.970	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)CC(C)C)[C@H]3C2)CC1	ZINC000975753940	802206170	/nfs/dbraw/zinc/20/61/70/802206170.db2.gz	BPLFYJLPCBIWJZ-HKUYNNGSSA-N	1	0	359.514	1.827	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CCN(C(=O)C#CC3CC3)[C@H]2C1	ZINC000975777721	802327767	/nfs/dbraw/zinc/32/77/67/802327767.db2.gz	JGWKGRWYOODRTK-FHWLQOOXSA-N	1	0	357.498	1.724	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@H]2C1	ZINC000975789930	802342284	/nfs/dbraw/zinc/34/22/84/802342284.db2.gz	OQGPGOIMNZZILF-WBAXXEDZSA-N	1	0	369.469	1.434	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@H]3C2)C1	ZINC000975818330	802467205	/nfs/dbraw/zinc/46/72/05/802467205.db2.gz	HMGNWMHVQGCHJW-HFTRVMKXSA-N	1	0	369.469	1.291	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@H]3C2)nc1	ZINC000975836109	802553331	/nfs/dbraw/zinc/55/33/31/802553331.db2.gz	INDLIKZQNJKXQB-SCTDSRPQSA-N	1	0	366.465	1.078	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(CC[NH2+][C@H]2CCCNC2=O)cc1	ZINC001027254700	802639028	/nfs/dbraw/zinc/63/90/28/802639028.db2.gz	KSNGAORZOITWSL-QYZOEREBSA-N	1	0	371.481	1.305	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C	ZINC000976413143	803334961	/nfs/dbraw/zinc/33/49/61/803334961.db2.gz	NEDKYXAKZQGICU-VAMGGRTRSA-N	1	0	367.493	1.848	20	30		FDEDRO
C=CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1	ZINC000661379874	803432506	/nfs/dbraw/zinc/43/25/06/803432506.db2.gz	BTHYGDMLLFUJKR-CQSZACIVSA-N	1	0	351.472	1.951	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCS(C)(=O)=O)C2)CCC1	ZINC001112525284	803489904	/nfs/dbraw/zinc/48/99/04/803489904.db2.gz	KMHAKCWPVJRULZ-LPHOPBHVSA-N	1	0	368.543	1.996	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3nnnn3C)C2)CCC1	ZINC001112525310	803493772	/nfs/dbraw/zinc/49/37/72/803493772.db2.gz	LWZDKQJIVUGJMX-KXBFYZLASA-N	1	0	358.490	1.675	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@H]21	ZINC000976593109	803585197	/nfs/dbraw/zinc/58/51/97/803585197.db2.gz	ZSOYFFGITFDBGG-VMENWCDDSA-N	1	0	361.486	1.025	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21	ZINC000976595317	803589203	/nfs/dbraw/zinc/58/92/03/803589203.db2.gz	PXDDDVMBNLPLQM-GJGATLCTSA-N	1	0	361.486	1.025	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1	ZINC000423118336	814964563	/nfs/dbraw/zinc/96/45/63/814964563.db2.gz	AAJOWLMLDGGQMJ-OTWHNJEPSA-N	1	0	368.481	1.883	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1	ZINC000423124895	814967308	/nfs/dbraw/zinc/96/73/08/814967308.db2.gz	MWMATMSZZVRUGK-YJBOKZPZSA-N	1	0	356.470	1.740	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1	ZINC000423165552	814985001	/nfs/dbraw/zinc/98/50/01/814985001.db2.gz	BAFMFYLPPSIYKV-FQEVSTJZSA-N	1	0	357.454	1.422	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1	ZINC000423192250	814996236	/nfs/dbraw/zinc/99/62/36/814996236.db2.gz	VABWRDFNQNCNSN-FQEVSTJZSA-N	1	0	352.438	1.285	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CC(=O)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1	ZINC000909368071	804266802	/nfs/dbraw/zinc/26/68/02/804266802.db2.gz	RLBCYOKWYBUHQB-GOSISDBHSA-N	1	0	368.481	1.531	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCS(C)(=O)=O)C2)C1	ZINC001112526620	804812741	/nfs/dbraw/zinc/81/27/41/804812741.db2.gz	PMQNPOSNDSNFLY-YJBOKZPZSA-N	1	0	354.516	1.606	20	30		FDEDRO
COC[C@H](OC)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#Cc2ccccc2)C1	ZINC001112526654	804813519	/nfs/dbraw/zinc/81/35/19/804813519.db2.gz	RDRAXURZYQWLRE-ONTIZHBOSA-N	1	0	370.493	1.918	20	30		FDEDRO
CN(C[C@@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C(=O)c1ccc(C#N)[nH]1	ZINC000977595682	804855098	/nfs/dbraw/zinc/85/50/98/804855098.db2.gz	CQBMAJRLQZCDIF-BFHYXJOUSA-N	1	0	352.398	1.086	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1	ZINC000663013808	804883970	/nfs/dbraw/zinc/88/39/70/804883970.db2.gz	ARKIWQRZKMEPKP-JKSUJKDBSA-N	1	0	361.490	1.507	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CCN2C(=O)[C@@H]2C[C@H]2C2CCC2)CC1	ZINC000977844425	804997680	/nfs/dbraw/zinc/99/76/80/804997680.db2.gz	BKSVNHCYDFVVIQ-HSALFYBXSA-N	1	0	371.525	1.827	20	30		FDEDRO
C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC001027578891	805103931	/nfs/dbraw/zinc/10/39/31/805103931.db2.gz	XARNNTAQUSKEDD-CEXWTWQISA-N	1	0	368.481	1.883	20	30		FDEDRO
C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1	ZINC000423361973	815054599	/nfs/dbraw/zinc/05/45/99/815054599.db2.gz	HHMKQXARIQJNNE-IBGZPJMESA-N	1	0	370.497	1.097	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2nccn3ccnc23)C[C@H]1c1ccccc1	ZINC001211676875	805285819	/nfs/dbraw/zinc/28/58/19/805285819.db2.gz	UPLNPTYOSSWDMD-ZWKOTPCHSA-N	1	0	359.433	1.950	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1ccc2c[nH+]cn2c1	ZINC000978421940	805452076	/nfs/dbraw/zinc/45/20/76/805452076.db2.gz	QGDNWJVJRUKHMY-KURKYZTESA-N	1	0	368.437	1.598	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1	ZINC000423443964	815078259	/nfs/dbraw/zinc/07/82/59/815078259.db2.gz	ASWVBEGTJJCKFJ-UHFFFAOYSA-N	1	0	359.470	1.827	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CN2CCOCC2=O)C1	ZINC001087429798	807007867	/nfs/dbraw/zinc/00/78/67/807007867.db2.gz	CZYMBSVTSCFZLW-RTBURBONSA-N	1	0	371.481	1.396	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1	ZINC001087429864	807025007	/nfs/dbraw/zinc/02/50/07/807025007.db2.gz	IDNWLXYEKRVYLT-IXDOHACOSA-N	1	0	370.453	1.135	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cn[nH]c(=O)c2)C1	ZINC001087430244	807049803	/nfs/dbraw/zinc/04/98/03/807049803.db2.gz	FJDUNRLKYAKLDT-QZTJIDSGSA-N	1	0	350.422	1.793	20	30		FDEDRO
C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1	ZINC000423533063	815105516	/nfs/dbraw/zinc/10/55/16/815105516.db2.gz	WOACXADLYWLPJY-MBOZVWFJSA-N	1	0	354.454	1.482	20	30		FDEDRO
Cc1cnn(CC(=O)N2CC[C@H]3CN(CC#Cc4ccc(F)cc4)C[C@H]32)c1	ZINC001075594722	807288890	/nfs/dbraw/zinc/28/88/90/807288890.db2.gz	KKRHLJHQMMHGME-AZUAARDMSA-N	1	0	366.440	1.915	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC[C@@H]1[NH3+]	ZINC000423519656	815109768	/nfs/dbraw/zinc/10/97/68/815109768.db2.gz	DJTPXYWWFGCIHR-NRSFXHEJSA-N	1	0	354.454	1.480	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cn(CCC)nn2)C[C@H]1c1ccccc1	ZINC001211697185	807608907	/nfs/dbraw/zinc/60/89/07/807608907.db2.gz	WATBUCKHEWICQN-ZWKOTPCHSA-N	1	0	351.454	1.909	20	30		FDEDRO
C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	ZINC001028043598	807684565	/nfs/dbraw/zinc/68/45/65/807684565.db2.gz	SGUCZWCJAWSEPE-QRVBRYPASA-N	1	0	365.518	1.413	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C2CC2)cc1	ZINC000423574042	815143116	/nfs/dbraw/zinc/14/31/16/815143116.db2.gz	SCNWTMXNPORLHS-YTQUADARSA-N	1	0	366.465	1.635	20	30		FDEDRO
CC(C)C[C@@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC#N)C1	ZINC001211698532	807794763	/nfs/dbraw/zinc/79/47/63/807794763.db2.gz	SVMCMSLMIVHLJA-NZSAHSFTSA-N	1	0	370.497	1.893	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)Cc2nonc2C)C[C@H]1c1ccccc1	ZINC001211698542	807794847	/nfs/dbraw/zinc/79/48/47/807794847.db2.gz	UFOSSXHEBXVIJH-PKOBYXMFSA-N	1	0	368.437	1.155	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3coc(C)c3)C2)CC1	ZINC000981544101	808113978	/nfs/dbraw/zinc/11/39/78/808113978.db2.gz	GABHTWJDRCVRTN-QFBILLFUSA-N	1	0	371.481	1.948	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000981544051	808114483	/nfs/dbraw/zinc/11/44/83/808114483.db2.gz	BXKXNLPHCWQROM-JOCLIGHLSA-N	1	0	371.525	1.779	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3cccn3C)C2)CC1	ZINC000981544320	808114942	/nfs/dbraw/zinc/11/49/42/808114942.db2.gz	HZSYCDPHHREVKX-FUHWJXTLSA-N	1	0	370.497	1.385	20	30		FDEDRO
C[C@H](CN1CCOCC1)[N@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000279062442	808239858	/nfs/dbraw/zinc/23/98/58/808239858.db2.gz	ISEBCSNURBTXHN-APWZRJJASA-N	1	0	356.470	1.706	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CCCN(Cc1cncn1C)C2	ZINC000981776070	808472581	/nfs/dbraw/zinc/47/25/81/808472581.db2.gz	FPAUCAJYKDTZJY-MSOLQXFVSA-N	1	0	358.486	1.826	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1	ZINC000504353929	815210783	/nfs/dbraw/zinc/21/07/83/815210783.db2.gz	ZLKDHCLHSMGJHT-DLBZAZTESA-N	1	0	354.458	1.412	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@H](COC)[C@@H]2CCCO2)c(OC)c1	ZINC000279153980	808509777	/nfs/dbraw/zinc/50/97/77/808509777.db2.gz	ZAOIXLXRGIMNFN-KURKYZTESA-N	1	0	365.470	1.947	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN1CCn1cc(Cl)cn1	ZINC001028147447	808698344	/nfs/dbraw/zinc/69/83/44/808698344.db2.gz	YGPBTIISQLEUDA-OAGGEKHMSA-N	1	0	352.866	1.708	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccc(C#N)cc1	ZINC000279351683	808942718	/nfs/dbraw/zinc/94/27/18/808942718.db2.gz	UESIKIYOBNCJFD-AWEZNQCLSA-N	1	0	356.426	1.208	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccc(C#N)cc1	ZINC000279351686	808942794	/nfs/dbraw/zinc/94/27/94/808942794.db2.gz	UESIKIYOBNCJFD-CQSZACIVSA-N	1	0	356.426	1.208	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCc1ccnn1C	ZINC001028190387	808943561	/nfs/dbraw/zinc/94/35/61/808943561.db2.gz	SPGGGCMSBJUKTK-FHWLQOOXSA-N	1	0	360.502	1.915	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)C[C@H]1c1ccccc1	ZINC001211718501	809220549	/nfs/dbraw/zinc/22/05/49/809220549.db2.gz	QEHJEUZWNVBIES-YESZJQIVSA-N	1	0	370.453	1.135	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CNC(=O)C(C)(C)C)C[C@H]1c1ccccc1	ZINC001211723350	809316026	/nfs/dbraw/zinc/31/60/26/809316026.db2.gz	UGVKESLVFKFUKP-ZWKOTPCHSA-N	1	0	355.482	1.756	20	30		FDEDRO
C[C@H]1CCN(C(=O)C(=O)NCCSCc2ccccc2C#N)C[C@H]1C[NH3+]	ZINC000418922266	809316546	/nfs/dbraw/zinc/31/65/46/809316546.db2.gz	MSHNAPLRWSNFPR-WMLDXEAASA-N	1	0	374.510	1.351	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C[C@@H]1[NH3+]	ZINC000419031558	809434502	/nfs/dbraw/zinc/43/45/02/809434502.db2.gz	JDSFMAIPJHHXCD-LYAPFXNSSA-N	1	0	370.453	1.170	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1	ZINC000419051601	809487051	/nfs/dbraw/zinc/48/70/51/809487051.db2.gz	BTOXSAUBCKUBCG-GOSISDBHSA-N	1	0	373.497	1.646	20	30		FDEDRO
[NH3+]C[C@H]1CCC[C@@H]1NC(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000419117349	809588249	/nfs/dbraw/zinc/58/82/49/809588249.db2.gz	PXCVAGHIZKBKSP-HIFRSBDPSA-N	1	0	367.371	1.417	20	30		FDEDRO
C=CC[C@H](CC)NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1	ZINC000419136265	809602627	/nfs/dbraw/zinc/60/26/27/809602627.db2.gz	NDWLCMSSTAKOLT-ZQIUZPCESA-N	1	0	365.424	1.997	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3nncn3C2)C[C@H]1c1ccccc1	ZINC001211729464	809673545	/nfs/dbraw/zinc/67/35/45/809673545.db2.gz	AGGYSBASUJHKLC-CEXWTWQISA-N	1	0	363.465	1.448	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NCC1C[NH2+]C1)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000419203719	809705053	/nfs/dbraw/zinc/70/50/53/809705053.db2.gz	HAPYRJYBKZFFFZ-AWEZNQCLSA-N	1	0	362.433	1.738	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1	ZINC000424107487	815311962	/nfs/dbraw/zinc/31/19/62/815311962.db2.gz	UYNXKRLIQGXQBD-HNNXBMFYSA-N	1	0	359.426	1.601	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1	ZINC001087442830	809767696	/nfs/dbraw/zinc/76/76/96/809767696.db2.gz	DKJNFSNXILTPQN-IAGOWNOFSA-N	1	0	370.453	1.041	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CN2C(=O)CCC2=O)C1	ZINC001087442905	809768398	/nfs/dbraw/zinc/76/83/98/809768398.db2.gz	ILCMUEBWBCYOQC-QZTJIDSGSA-N	1	0	369.465	1.686	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1	ZINC000424144060	815316922	/nfs/dbraw/zinc/31/69/22/815316922.db2.gz	RPARXGNITVEKAF-GOSISDBHSA-N	1	0	356.470	1.605	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N(CCCN1CCOCC1)Cc1ccncc1	ZINC000424169758	815322241	/nfs/dbraw/zinc/32/22/41/815322241.db2.gz	ALXXRGRURYQZLB-GOSISDBHSA-N	1	0	359.474	1.154	20	30		FDEDRO
C=CC[N@@H+](C)CCN(CC)C(=O)c1cnn(CC(=O)NC2CCCC2)c1	ZINC001139869661	809835800	/nfs/dbraw/zinc/83/58/00/809835800.db2.gz	OWSHAVPCDCFIKB-UHFFFAOYSA-N	1	0	361.490	1.522	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1	ZINC000332749192	809908863	/nfs/dbraw/zinc/90/88/63/809908863.db2.gz	YTVFUNAWCFYYHC-NVXWUHKLSA-N	1	0	360.502	1.956	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H]2CCN(C)C2=O)C1	ZINC001211736201	809925579	/nfs/dbraw/zinc/92/55/79/809925579.db2.gz	MBMSVHGKBRZSHG-GBESFXJTSA-N	1	0	371.481	1.394	20	30		FDEDRO
C[C@H]1CC[N@H+](CCNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000894100317	809977437	/nfs/dbraw/zinc/97/74/37/809977437.db2.gz	YPYGXRRSYQHLDX-YJBOKZPZSA-N	1	0	369.469	1.695	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2nccnc2N)C1	ZINC001087453358	810043160	/nfs/dbraw/zinc/04/31/60/810043160.db2.gz	OOCZUXJBTOLMGT-IAGOWNOFSA-N	1	0	367.428	1.809	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2COC(=O)N2)C1	ZINC001087454722	810047212	/nfs/dbraw/zinc/04/72/12/810047212.db2.gz	FTYPSNCQJHHONU-BRWVUGGUSA-N	1	0	359.401	1.232	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@]2(C)CNC(=O)C2)C1	ZINC001087456642	810146593	/nfs/dbraw/zinc/14/65/93/810146593.db2.gz	IJNFRZUEDRKEJW-OPYAIIAOSA-N	1	0	371.456	1.649	20	30		FDEDRO
C=CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1	ZINC001087457485	810201259	/nfs/dbraw/zinc/20/12/59/810201259.db2.gz	CLLXIJAHFBUFGL-IXDOHACOSA-N	1	0	360.433	1.357	20	30		FDEDRO
C#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCN(C)C2=O)C1	ZINC001087457754	810206785	/nfs/dbraw/zinc/20/67/85/810206785.db2.gz	QATILSDFSGLRFV-KZNAEPCWSA-N	1	0	357.429	1.211	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)c1	ZINC000500906304	810303023	/nfs/dbraw/zinc/30/30/23/810303023.db2.gz	OOJOKQYFUQDJER-UHFFFAOYSA-N	1	0	357.502	1.770	20	30		FDEDRO
Cc1nnc(CNC(=[NH+]C2CC2)N2CCN([C@@H](C)C(F)(F)F)CC2)n1C	ZINC000261721210	810313004	/nfs/dbraw/zinc/31/30/04/810313004.db2.gz	WRDINRCVPAMPNP-NSHDSACASA-N	1	0	373.427	1.300	20	30		FDEDRO
Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1	ZINC000424475092	815368898	/nfs/dbraw/zinc/36/88/98/815368898.db2.gz	YQXPLAVCDQUKLA-UHFFFAOYSA-N	1	0	364.405	1.554	20	30		FDEDRO
C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1=O	ZINC000433339514	810445924	/nfs/dbraw/zinc/44/59/24/810445924.db2.gz	AHIAGUFDYPZWPY-OLMNPRSZSA-N	1	0	364.453	1.958	20	30		FDEDRO
C=CCn1c(CCC(C)C)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000508813879	810478162	/nfs/dbraw/zinc/47/81/62/810478162.db2.gz	RAQHZHCEWYQGPA-UHFFFAOYSA-N	1	0	374.533	1.797	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccn(C)c(=O)c2)C1	ZINC001028548559	810615476	/nfs/dbraw/zinc/61/54/76/810615476.db2.gz	CEZBWWYMMDTSLG-KSZLIROESA-N	1	0	359.470	1.305	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)C1	ZINC001028545530	810631009	/nfs/dbraw/zinc/63/10/09/810631009.db2.gz	HYNDHCQTBZAQDJ-ZTFGCOKTSA-N	1	0	354.454	1.411	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)C1	ZINC001028545821	810632202	/nfs/dbraw/zinc/63/22/02/810632202.db2.gz	LRGRUZJVWWJVKN-RVKKMQEKSA-N	1	0	354.454	1.411	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CC[C@H](C(=O)NCc3ccccc3)C2)CC1	ZINC000645232829	810642944	/nfs/dbraw/zinc/64/29/44/810642944.db2.gz	UKJRAWDWRZEZBN-SFHVURJKSA-N	1	0	370.497	1.985	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1	ZINC000424543896	815388376	/nfs/dbraw/zinc/38/83/76/815388376.db2.gz	KIGASXWNGHJPOY-OTWHNJEPSA-N	1	0	367.449	1.663	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000982663460	810704236	/nfs/dbraw/zinc/70/42/36/810704236.db2.gz	VGOQIHIDTNKEMQ-JLJPHGGASA-N	1	0	357.458	1.195	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1	ZINC000937287311	810749147	/nfs/dbraw/zinc/74/91/47/810749147.db2.gz	AOTJMKKRWCTUBQ-XSLAGTTESA-N	1	0	361.486	1.121	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)C4C(C)(C)C4(C)C)[C@@H]3C2)C1=O	ZINC001075653960	810800093	/nfs/dbraw/zinc/80/00/93/810800093.db2.gz	AZRBWJDYERTNEV-ARFHVFGLSA-N	1	0	359.514	1.988	20	30		FDEDRO
C=CCC1(C(=O)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)CCOCC1	ZINC000424642404	815408032	/nfs/dbraw/zinc/40/80/32/815408032.db2.gz	DJOCDLBHLARHEG-UHFFFAOYSA-N	1	0	373.497	1.967	20	30		FDEDRO
C[NH+]=C(NCCn1cnc2ccccc21)N1CCO[C@@H](c2cnn(C)c2)C1	ZINC000261839928	811331144	/nfs/dbraw/zinc/33/11/44/811331144.db2.gz	WMMPHLFJVOYSDA-GOSISDBHSA-N	1	0	367.457	1.419	20	30		FDEDRO
C[NH+]=C(NCc1cc(F)ccc1F)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261853014	811332425	/nfs/dbraw/zinc/33/24/25/811332425.db2.gz	XLTLEXIGSVPABV-UHFFFAOYSA-N	1	0	362.384	1.123	20	30		FDEDRO
C[NH+]=C(NCc1nnc(C)n1C)N[C@H]1CCN(c2cccc(OC)c2)C1	ZINC000261980221	811359723	/nfs/dbraw/zinc/35/97/23/811359723.db2.gz	OSPKYSULBVQFRT-AWEZNQCLSA-N	1	0	357.462	1.076	20	30		FDEDRO
CC[NH+]=C(NCCN1C(=O)CNC1=O)N[C@@H]1CC(C)(C)Oc2ccccc21	ZINC000262000785	811364588	/nfs/dbraw/zinc/36/45/88/811364588.db2.gz	UKHSOVXUCABBKN-CQSZACIVSA-N	1	0	373.457	1.396	20	30		FDEDRO
C=CC[NH+]=C(NCc1nnc(C)n1C)N1CC[C@@H](C)[C@H](n2ccnc2)C1	ZINC000262001977	811365405	/nfs/dbraw/zinc/36/54/05/811365405.db2.gz	UQDYVPZDCVKNRI-GDBMZVCRSA-N	1	0	356.478	1.535	20	30		FDEDRO
COC[C@H]1CCN(C(N[C@H]2CCOc3ccccc32)=[NH+]CC(=O)N(C)C)C1	ZINC000262326064	811442277	/nfs/dbraw/zinc/44/22/77/811442277.db2.gz	TXCOTIOQSIEPON-RDJZCZTQSA-N	1	0	374.485	1.512	20	30		FDEDRO
CO[C@@H]1COC[C@H]1n1cc(CNC(=[NH2+])Nc2cccc3c2CCCC3)nn1	ZINC000262351223	811448076	/nfs/dbraw/zinc/44/80/76/811448076.db2.gz	FYYUJDHAURUQMJ-QZTJIDSGSA-N	1	0	370.457	1.670	20	30		FDEDRO
COCc1cc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)ccc1F	ZINC000262511756	811481289	/nfs/dbraw/zinc/48/12/89/811481289.db2.gz	DIOAZEOZWMUIBM-UHFFFAOYSA-N	1	0	358.421	1.399	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCCCC2)N1CCN(c2ccccn2)CC1	ZINC000262578058	811499028	/nfs/dbraw/zinc/49/90/28/811499028.db2.gz	PEQXRYZZBSSADJ-UHFFFAOYSA-N	1	0	368.489	1.297	20	30		FDEDRO
C#CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cc3n(n2)CCO3)C1	ZINC001087465493	811501334	/nfs/dbraw/zinc/50/13/34/811501334.db2.gz	RJVMOZJFMXIOEE-SJLPKXTDSA-N	1	0	368.412	1.636	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1	ZINC001028605393	811508713	/nfs/dbraw/zinc/50/87/13/811508713.db2.gz	SCFTVPDYLGMLSK-YEWWUXTCSA-N	1	0	361.417	1.439	20	30		FDEDRO
C[C@H]1C[NH+]=C(NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)N1	ZINC000262680359	811531897	/nfs/dbraw/zinc/53/18/97/811531897.db2.gz	VVDNIRKSINWOQP-HNNXBMFYSA-N	1	0	368.460	1.985	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)cc1	ZINC000333526724	811643325	/nfs/dbraw/zinc/64/33/25/811643325.db2.gz	PCMXSIMOMJXPNR-QGZVFWFLSA-N	1	0	357.454	1.678	20	30		FDEDRO
C[NH+]=C(NCc1ccc(N(C)C)nc1)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000261799767	811745744	/nfs/dbraw/zinc/74/57/44/811745744.db2.gz	GVGYULGJKNYOCD-UHFFFAOYSA-N	1	0	360.506	1.554	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)c1ccc(F)c(F)c1	ZINC000419672038	812082826	/nfs/dbraw/zinc/08/28/26/812082826.db2.gz	FYHUAHFPBCXOBT-CJNGLKHVSA-N	1	0	367.396	1.193	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1ccc(F)c(F)c1	ZINC000419673448	812085100	/nfs/dbraw/zinc/08/51/00/812085100.db2.gz	HKDAAHPHYGVIPZ-RMHZUWNSSA-N	1	0	363.408	1.894	20	30		FDEDRO
C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCC3(C#N)CCC3)c2)CC1	ZINC000419819176	812211186	/nfs/dbraw/zinc/21/11/86/812211186.db2.gz	PNRBYKALCJWHLW-UHFFFAOYSA-N	1	0	369.469	1.183	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@H](C[NH3+])CC(C)C	ZINC000419957761	812304826	/nfs/dbraw/zinc/30/48/26/812304826.db2.gz	PEZDILSTGSECLF-HNNXBMFYSA-N	1	0	362.430	1.599	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)cc1	ZINC000419959249	812310679	/nfs/dbraw/zinc/31/06/79/812310679.db2.gz	XAHVHZVJJJFRLR-GOSISDBHSA-N	1	0	352.438	1.432	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC[NH2+]C1CCCCCC1	ZINC000420049178	813426500	/nfs/dbraw/zinc/42/65/00/813426500.db2.gz	YWWSFKHLSPZRTN-UHFFFAOYSA-N	1	0	356.470	1.945	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)CC2)cc1	ZINC000420075313	813439490	/nfs/dbraw/zinc/43/94/90/813439490.db2.gz	SAXYBBXIADLOGD-LJQANCHMSA-N	1	0	366.465	1.808	20	30		FDEDRO
C[C@H]1CN(CC(=O)NCc2ccc(C#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000367031042	814259214	/nfs/dbraw/zinc/25/92/14/814259214.db2.gz	TZWWEEZGCBPIAD-FXAWDEMLSA-N	1	0	369.513	1.132	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@H](C)C1	ZINC000367050558	814278338	/nfs/dbraw/zinc/27/83/38/814278338.db2.gz	QIVRLVNCGMIKML-CVEARBPZSA-N	1	0	353.470	1.846	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnc3nccn3c2)C[C@H]1C(F)(F)F	ZINC001112130500	814801102	/nfs/dbraw/zinc/80/11/02/814801102.db2.gz	YCRVMPMRQVDWOO-CHWSQXEVSA-N	1	0	351.332	1.345	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](OCC)C1	ZINC000983132286	814801516	/nfs/dbraw/zinc/80/15/16/814801516.db2.gz	GUVUVNRESOFMDX-IAGOWNOFSA-N	1	0	365.518	1.520	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC	ZINC000422524222	814828085	/nfs/dbraw/zinc/82/80/85/814828085.db2.gz	YCYGAUFMGJLDFN-QZTJIDSGSA-N	1	0	359.470	1.284	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](O)c4ccc(F)cc4)C[C@H]32)c[nH]1	ZINC001075703676	815593969	/nfs/dbraw/zinc/59/39/69/815593969.db2.gz	LDIOJICHVBPBBO-GDIGMMSISA-N	1	0	368.412	1.905	20	30		FDEDRO
C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)CCO1	ZINC000329616541	815595792	/nfs/dbraw/zinc/59/57/92/815595792.db2.gz	DLRVSJAGDBFKBZ-LSDHHAIUSA-N	1	0	363.506	1.672	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ncnn1CC(F)F	ZINC001167956682	815811063	/nfs/dbraw/zinc/81/10/63/815811063.db2.gz	ICIXAEYRHKLHFX-BBRMVZONSA-N	1	0	371.432	1.510	20	30		FDEDRO
C=CCN(C(=O)C[C@H]1CSCC[NH2+]1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000434874399	815819942	/nfs/dbraw/zinc/81/99/42/815819942.db2.gz	BKLCVPSHHQPFHH-HOCLYGCPSA-N	1	0	372.498	1.833	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCc2cnn(C)c2)C1	ZINC001028855371	816228458	/nfs/dbraw/zinc/22/84/58/816228458.db2.gz	AIELJXMAFZTSRP-NEWSRXKRSA-N	1	0	360.502	1.772	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCc2cnn(C)c2)C1	ZINC001028855372	816228597	/nfs/dbraw/zinc/22/85/97/816228597.db2.gz	AIELJXMAFZTSRP-WDSOQIARSA-N	1	0	360.502	1.772	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2snnc2C)C1	ZINC001028861389	816293412	/nfs/dbraw/zinc/29/34/12/816293412.db2.gz	RZJYBICDOUJAGS-YCPHGPKFSA-N	1	0	350.488	1.766	20	30		FDEDRO
C=CCn1cc(CNC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)nn1	ZINC000425447681	816299216	/nfs/dbraw/zinc/29/92/16/816299216.db2.gz	HKHRPZLOZJYHGJ-GOSISDBHSA-N	1	0	354.458	1.928	20	30		FDEDRO
C=CCn1cc(CNC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)nn1	ZINC000425483658	816363352	/nfs/dbraw/zinc/36/33/52/816363352.db2.gz	VXNDHAGNPLWWBW-HNNXBMFYSA-N	1	0	369.473	1.884	20	30		FDEDRO
C=C(Br)CN1C[C@@H]2CCN(C(=O)CC3OCCCO3)[C@@H]2C1	ZINC001075725255	816406718	/nfs/dbraw/zinc/40/67/18/816406718.db2.gz	OOXBVESYLXIERP-QWHCGFSZSA-N	1	0	359.264	1.581	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2[C@H]2CCOC2)C[C@H]1C(F)(F)F	ZINC001112136737	816459199	/nfs/dbraw/zinc/45/91/99/816459199.db2.gz	COCFYRIMRCGLBQ-IACUBPJLSA-N	1	0	370.375	1.529	20	30		FDEDRO
C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC(CCC#N)CC1	ZINC000516567470	816902034	/nfs/dbraw/zinc/90/20/34/816902034.db2.gz	HQGAFMGPLGKDMA-MRXNPFEDSA-N	1	0	356.474	1.529	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCN(C(C)C)C2=O)c(OC)c1	ZINC000516762019	816994931	/nfs/dbraw/zinc/99/49/31/816994931.db2.gz	RJLFHOMGZBQQTH-IAGOWNOFSA-N	1	0	362.470	1.762	20	30		FDEDRO
CC(C)(O)C[N@@H+]1CCCN(CC(=O)N(CCC#N)c2ccccc2)CC1	ZINC000366670874	817113869	/nfs/dbraw/zinc/11/38/69/817113869.db2.gz	BGBBIBHNTHHVPS-UHFFFAOYSA-N	1	0	358.486	1.712	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C	ZINC000437792065	817338847	/nfs/dbraw/zinc/33/88/47/817338847.db2.gz	JKFKJLQZMFPWSE-IKGGRYGDSA-N	1	0	366.506	1.210	20	30		FDEDRO
Cc1nnc(CNC(N[C@H]2CCN(C3CC3)C2)=[NH+]C2CCCCC2)n1C	ZINC000261950643	817537740	/nfs/dbraw/zinc/53/77/40/817537740.db2.gz	HFKQUQXBGUGQNW-INIZCTEOSA-N	1	0	359.522	1.728	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CNC(=O)Nc2ccccc2)C[C@H]1C(F)(F)F	ZINC001112141398	817541068	/nfs/dbraw/zinc/54/10/68/817541068.db2.gz	ZQZPVJIHHUPCGQ-ZIAGYGMSSA-N	1	0	370.375	1.973	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1	ZINC000506211513	817544333	/nfs/dbraw/zinc/54/43/33/817544333.db2.gz	SOKUXTZGVZKSTD-SFHVURJKSA-N	1	0	367.453	1.893	20	30		FDEDRO
COC(=O)/C(C)=C\CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000925032980	817581936	/nfs/dbraw/zinc/58/19/36/817581936.db2.gz	APJGEFCEPWFHKV-DHDCSXOGSA-N	1	0	358.442	1.751	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1	ZINC000426155450	817716037	/nfs/dbraw/zinc/71/60/37/817716037.db2.gz	XQKHSHBWMJYYKU-CHWSQXEVSA-N	1	0	374.407	1.718	20	30		FDEDRO
C#CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cccc(=O)n2C)C1	ZINC001087467329	817808304	/nfs/dbraw/zinc/80/83/04/817808304.db2.gz	QBXREKHYXRQCMB-QZTJIDSGSA-N	1	0	367.424	1.746	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@]2(C)CCNC2=O)C1	ZINC001087467642	817891222	/nfs/dbraw/zinc/89/12/22/817891222.db2.gz	HVZCQGSJDFSTQX-OPYAIIAOSA-N	1	0	371.456	1.649	20	30		FDEDRO
Cc1nnc(CNC(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)=[NH+]C2CC2)n1C	ZINC000261989417	817952471	/nfs/dbraw/zinc/95/24/71/817952471.db2.gz	QWMSNXVFERZIBF-UAGQMJEPSA-N	1	0	358.490	1.669	20	30		FDEDRO
COC(=O)[C@@H]1[C@@H](C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1(F)F	ZINC000894430688	818046375	/nfs/dbraw/zinc/04/63/75/818046375.db2.gz	IVEAMNZZOUKDKO-KFWWJZLASA-N	1	0	363.364	1.698	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CCNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000894421819	818047953	/nfs/dbraw/zinc/04/79/53/818047953.db2.gz	FUVJFAOPCCKJNE-CRAIPNDOSA-N	1	0	369.469	1.443	20	30		FDEDRO
COC(=O)[C@@H]1[C@H](C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1(F)F	ZINC000894556090	818176390	/nfs/dbraw/zinc/17/63/90/818176390.db2.gz	UHAYFORIBQJIAT-KKUMJFAQSA-N	1	0	363.364	1.303	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)C1	ZINC000473703718	818204250	/nfs/dbraw/zinc/20/42/50/818204250.db2.gz	ZNTBZWWFXWAZMR-QGZVFWFLSA-N	1	0	358.442	1.456	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)Cc2nc[nH]n2)C1	ZINC001087476645	818386471	/nfs/dbraw/zinc/38/64/71/818386471.db2.gz	ZINDYEWTLYFZFY-IRXDYDNUSA-N	1	0	355.442	1.516	20	30		FDEDRO
CC#CCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1	ZINC001087476807	818391341	/nfs/dbraw/zinc/39/13/41/818391341.db2.gz	HIRNXWRHWSDWKJ-GIVPXCGWSA-N	1	0	369.509	1.944	20	30		FDEDRO
CNC(=O)[C@@H]1CCCCN1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N	ZINC000729470689	818452399	/nfs/dbraw/zinc/45/23/99/818452399.db2.gz	NFKZVJHGHLBJSW-YOEHRIQHSA-N	1	0	363.421	1.824	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]Cc2nncn2C)CC1	ZINC001029100074	818570077	/nfs/dbraw/zinc/57/00/77/818570077.db2.gz	AWXQAAALORGDTG-OIISXLGYSA-N	1	0	361.490	1.513	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1	ZINC000983728336	818834473	/nfs/dbraw/zinc/83/44/73/818834473.db2.gz	MVGYFSRVSJRVQV-PBHICJAKSA-N	1	0	369.469	1.339	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC000937415333	818863114	/nfs/dbraw/zinc/86/31/14/818863114.db2.gz	HCWRTVCAJOBFOD-VNQPRFMTSA-N	1	0	357.458	1.337	20	30		FDEDRO
CC[NH+](CC)CC1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1	ZINC000473878188	818944998	/nfs/dbraw/zinc/94/49/98/818944998.db2.gz	RUKHGPGVSQVJBQ-UHFFFAOYSA-N	1	0	356.470	1.868	20	30		FDEDRO
COc1cc(C[NH2+]CCN2CCN(c3ncccn3)CC2)ccc1C#N	ZINC000440806111	819132233	/nfs/dbraw/zinc/13/22/33/819132233.db2.gz	ZKBMZJWKCRAMBT-UHFFFAOYSA-N	1	0	352.442	1.269	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C#CC2CC2)[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1	ZINC000983787985	819503214	/nfs/dbraw/zinc/50/32/14/819503214.db2.gz	MEMRYNMENIOKQN-AYOQOUSVSA-N	1	0	357.498	1.485	20	30		FDEDRO
O=C(NC1CC[NH+](Cc2ccccn2)CC1)N[C@H]1CCCn2ncnc21	ZINC000328613966	819517760	/nfs/dbraw/zinc/51/77/60/819517760.db2.gz	QTZYZDRSBLFYCF-INIZCTEOSA-N	1	0	355.446	1.676	20	30		FDEDRO
COc1cccc([C@H](CNC(=O)N2CC(=O)N(C)[C@H](C)C2)[NH+]2CCCC2)c1	ZINC000328723695	819532392	/nfs/dbraw/zinc/53/23/92/819532392.db2.gz	SJHJZUVWUKTXOO-QAPCUYQASA-N	1	0	374.485	1.909	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1(C)C	ZINC000328714697	819540018	/nfs/dbraw/zinc/54/00/18/819540018.db2.gz	OFKQBQIKLSPHJI-HUUCEWRRSA-N	1	0	364.490	1.144	20	30		FDEDRO
O=C(CN1CC[N@@H+]2CCC[C@H]2C1)N1CCC(NC(=O)c2ccccc2)CC1	ZINC000328833326	819560551	/nfs/dbraw/zinc/56/05/51/819560551.db2.gz	RTERFENJCYBJHZ-IBGZPJMESA-N	1	0	370.497	1.762	20	30		FDEDRO
Cn1ncnc1[C@H]1COCCN1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1	ZINC000328901080	819571717	/nfs/dbraw/zinc/57/17/17/819571717.db2.gz	YQYVKKLFBBBUBM-BBWFWOEESA-N	1	0	370.457	1.548	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)C[NH+]1CCCC1	ZINC000983804160	819579411	/nfs/dbraw/zinc/57/94/11/819579411.db2.gz	IJLSPGPRWLAZFE-XDNAFOTISA-N	1	0	363.502	1.417	20	30		FDEDRO
CC[NH+]1CCN(c2ccccc2NC(=O)N2CCN3C(=O)CC[C@H]3C2)CC1	ZINC000328932549	819596325	/nfs/dbraw/zinc/59/63/25/819596325.db2.gz	BNWZDDZWIAKMLL-INIZCTEOSA-N	1	0	371.485	1.681	20	30		FDEDRO
Cn1cc([C@H]2CN(C(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)C[C@@H]2C(N)=O)cn1	ZINC000328996202	819607312	/nfs/dbraw/zinc/60/73/12/819607312.db2.gz	GPEWVGPFDQBIDF-FPCVCCKLSA-N	1	0	362.478	1.758	20	30		FDEDRO
CCOC(=O)c1cnc(C)c(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)c1	ZINC000330691330	819629901	/nfs/dbraw/zinc/62/99/01/819629901.db2.gz	BEYMRGSVNVDYAA-UHFFFAOYSA-N	1	0	364.446	1.501	20	30		FDEDRO
CC[C@H]1CN(C(=O)c2cccc(NC(=O)N(C)C)c2)CC[N@@H+]1C[C@H](C)O	ZINC000330699459	819631287	/nfs/dbraw/zinc/63/12/87/819631287.db2.gz	XPKASZBASLVDFH-YOEHRIQHSA-N	1	0	362.474	1.711	20	30		FDEDRO
CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)N1CC[NH+](C2CCOCC2)CC1	ZINC000331036604	819660446	/nfs/dbraw/zinc/66/04/46/819660446.db2.gz	NPVNZSZWWODVAL-INIZCTEOSA-N	1	0	368.522	1.636	20	30		FDEDRO
CN(C)C(=O)CC1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1	ZINC000331311752	819675734	/nfs/dbraw/zinc/67/57/34/819675734.db2.gz	VEITZXRZFWYTOS-UHFFFAOYSA-N	1	0	367.538	1.117	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)c2ncc[nH]2)CC1	ZINC000983851820	819787616	/nfs/dbraw/zinc/78/76/16/819787616.db2.gz	SIOBXYYZOLQRGU-WBVHZDCISA-N	1	0	371.485	1.112	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1	ZINC000459014213	819845371	/nfs/dbraw/zinc/84/53/71/819845371.db2.gz	FAWNUNGWNTZLOD-UXHICEINSA-N	1	0	372.513	1.789	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCN2CCCC2=O)C1	ZINC001112156085	819931552	/nfs/dbraw/zinc/93/15/52/819931552.db2.gz	YPJSMVFGDFXVPA-ZIAGYGMSSA-N	1	0	361.408	1.944	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCc3ccc(Cl)cc3)C[C@@H]2O)[nH]1	ZINC001083413231	820008508	/nfs/dbraw/zinc/00/85/08/820008508.db2.gz	FDRRPTCKWBMVIP-SJORKVTESA-N	1	0	358.829	1.557	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCC(F)(F)C3)C[C@@H]2O)[nH]1	ZINC001083413626	820023807	/nfs/dbraw/zinc/02/38/07/820023807.db2.gz	XJMBAQZMZNLRNK-DFBGVHRSSA-N	1	0	352.385	1.487	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](OC)C(C)C)C[C@H]1C(F)(F)F	ZINC001112158216	820133577	/nfs/dbraw/zinc/13/35/77/820133577.db2.gz	YKIHDRZIIOAXRZ-MCIONIFRSA-N	1	0	352.397	1.839	20	30		FDEDRO
CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1)[NH+](C)C	ZINC000983930337	820149233	/nfs/dbraw/zinc/14/92/33/820149233.db2.gz	VSZTZIKGBHSRRH-KMFMINBZSA-N	1	0	359.474	1.583	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2)CC[N@@H+]1Cc1ccc(C#N)c(F)c1	ZINC001087521694	820392808	/nfs/dbraw/zinc/39/28/08/820392808.db2.gz	SFZREINXBIPIBS-GVDBMIGSSA-N	1	0	358.417	1.445	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cn(C)nc3C)[C@H]2CC)C1=O	ZINC001087523911	820424041	/nfs/dbraw/zinc/42/40/41/820424041.db2.gz	RWZPWBVDCHYIIO-GVDBMIGSSA-N	1	0	359.474	1.098	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]21	ZINC001075806243	820755292	/nfs/dbraw/zinc/75/52/92/820755292.db2.gz	BFMOCAWCYDEVBH-MANSERQUSA-N	1	0	371.481	1.399	20	30		FDEDRO
N#Cc1cnn(-c2ccc(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)cc2)c1N	ZINC000520890651	820993387	/nfs/dbraw/zinc/99/33/87/820993387.db2.gz	CYBHCZIWFSNARW-CYBMUJFWSA-N	1	0	350.426	1.540	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCCF)C[C@]2(C)C1	ZINC001101330039	821054381	/nfs/dbraw/zinc/05/43/81/821054381.db2.gz	WFLZKVFRXARZDF-APWZRJJASA-N	1	0	353.482	1.941	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@H]([NH2+][C@@H]2CCCN(O)C2=O)C1	ZINC000895163833	821264879	/nfs/dbraw/zinc/26/48/79/821264879.db2.gz	ZQTRNBHKSLNFBA-GRDNDAEWSA-N	1	0	371.437	1.954	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2COCCN2C)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087547276	821284823	/nfs/dbraw/zinc/28/48/23/821284823.db2.gz	BQLOBGBKTJHXEQ-IPMKNSEASA-N	1	0	356.470	1.358	20	30		FDEDRO
C=CCN1CC[C@@H](N2CC[C@H](NC(=O)c3coc(CC)n3)[C@H]2CC)C1=O	ZINC001087548147	821301780	/nfs/dbraw/zinc/30/17/80/821301780.db2.gz	FQBKNUBFJRWWFL-NUEKZKHPSA-N	1	0	360.458	1.607	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C[C@@H]1CCc2ncnn21	ZINC001087548823	821301993	/nfs/dbraw/zinc/30/19/93/821301993.db2.gz	QOTQLBRXPGLMMT-HRCADAONSA-N	1	0	353.430	1.248	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1CCCc1nc(C)no1	ZINC001087548719	821307933	/nfs/dbraw/zinc/30/79/33/821307933.db2.gz	LBBHFGMBISCACC-JKSUJKDBSA-N	1	0	356.430	1.793	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC34CC4)[C@H]2CC)CC1	ZINC000985576696	828345519	/nfs/dbraw/zinc/34/55/19/828345519.db2.gz	XKGUYLIKKUBZBV-OKZBNKHCSA-N	1	0	357.498	1.627	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)Cn2nccn2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001087587397	821616060	/nfs/dbraw/zinc/61/60/60/821616060.db2.gz	MLPDSJZSSIBXKQ-ZWKOTPCHSA-N	1	0	368.441	1.350	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCc2ccns2)[C@@H]1CC	ZINC001087606960	821712816	/nfs/dbraw/zinc/71/28/16/821712816.db2.gz	BRSSAUVYAYRKGS-KSZLIROESA-N	1	0	360.527	1.752	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)Cc2cn(CC)nn2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087668213	821968183	/nfs/dbraw/zinc/96/81/83/821968183.db2.gz	JIGLJVLFGUQMGV-RBUKOAKNSA-N	1	0	366.469	1.881	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3cncc(C)c3)[C@H]2CC)C1=O	ZINC001087673926	821986001	/nfs/dbraw/zinc/98/60/01/821986001.db2.gz	IBSORTNJIRFDQZ-OTWHNJEPSA-N	1	0	370.497	1.689	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H]1CC	ZINC001087680032	821999690	/nfs/dbraw/zinc/99/96/90/821999690.db2.gz	VTLKBDRZIPNRLE-UONOGXRCSA-N	1	0	358.450	1.243	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2nccn3ccnc23)C[C@H]1C(F)(F)F	ZINC001112166984	822140453	/nfs/dbraw/zinc/14/04/53/822140453.db2.gz	BRXBVBSQOLYJSW-VXGBXAGGSA-N	1	0	353.348	1.898	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001087729096	822259248	/nfs/dbraw/zinc/25/92/48/822259248.db2.gz	JAUGNKHTEYEIRS-VSZNYVQBSA-N	1	0	370.453	1.179	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3c[nH]nc3C3CC3)[C@H]2CC)C1=O	ZINC001087781828	822431508	/nfs/dbraw/zinc/43/15/08/822431508.db2.gz	HGKFNAGJULRDNN-GVDBMIGSSA-N	1	0	371.485	1.657	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C[C@H]3CCNC(=O)CC3)[C@@H]2CC)nc1	ZINC001087802290	822462150	/nfs/dbraw/zinc/46/21/50/822462150.db2.gz	HZMWXNAUOYNGAA-ZIFCJYIRSA-N	1	0	368.481	1.562	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCCc3nc(C)no3)[C@@H]2CC)cn1	ZINC001087802961	822462894	/nfs/dbraw/zinc/46/28/94/822462894.db2.gz	UEIADQKDGYSKIG-ZWKOTPCHSA-N	1	0	367.453	1.970	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC000984443982	822551514	/nfs/dbraw/zinc/55/15/14/822551514.db2.gz	JOWJZXYTCRLCNX-BPQIPLTHSA-N	1	0	368.481	1.466	20	30		FDEDRO
C#CC[C@H]1CC[N@@H+](Cc2cn(CC(=O)OCC)nc2-c2cnn(C)c2)C1	ZINC000895390946	822573523	/nfs/dbraw/zinc/57/35/23/822573523.db2.gz	QWHLAKZDABBYLO-HNNXBMFYSA-N	1	0	355.442	1.692	20	30		FDEDRO
C#CC[C@@H]1CC[N@@H+](Cc2cn(CC(=O)OCC)nc2-c2cnn(C)c2)C1	ZINC000895390947	822573673	/nfs/dbraw/zinc/57/36/73/822573673.db2.gz	QWHLAKZDABBYLO-OAHLLOKOSA-N	1	0	355.442	1.692	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](CC3CCC(F)(F)CC3)C[C@@H]2O)c[nH]1	ZINC001083418757	822646573	/nfs/dbraw/zinc/64/65/73/822646573.db2.gz	ZBCBKDPWDLVTQY-CABCVRRESA-N	1	0	352.385	1.487	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccccc4)C[C@@H]3C2)C1=O	ZINC001087869690	822647832	/nfs/dbraw/zinc/64/78/32/822647832.db2.gz	AURJSOAHADTWBQ-QYZOEREBSA-N	1	0	353.466	1.867	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1CN1CCC(C(N)=O)([NH+]2CCCCC2)CC1	ZINC000895553110	822649040	/nfs/dbraw/zinc/64/90/40/822649040.db2.gz	YGNWKKCKUJHXIT-UHFFFAOYSA-N	1	0	369.513	1.930	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCn2cncn2)C1	ZINC001088315992	828465027	/nfs/dbraw/zinc/46/50/27/828465027.db2.gz	NLCMTZFUFSXTKL-KURKYZTESA-N	1	0	361.490	1.620	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NC3CC(CCO)C3)CC2)c1	ZINC000895594560	822667274	/nfs/dbraw/zinc/66/72/74/822667274.db2.gz	SLTJSZLLCAANFI-UHFFFAOYSA-N	1	0	356.470	1.983	20	30		FDEDRO
C[N@@H+](Cc1ccc(F)c(C#N)c1)C[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001029841765	828497634	/nfs/dbraw/zinc/49/76/34/828497634.db2.gz	OWOULWUVWGSDTQ-BMFZPTHFSA-N	1	0	358.417	1.099	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3cnnn3-c3ccccc3)CC[C@@H]2C1	ZINC001087911819	823776360	/nfs/dbraw/zinc/77/63/60/823776360.db2.gz	LUZSURUNODEYLH-ZACQAIPSSA-N	1	0	364.453	1.707	20	30		FDEDRO
Cc1ccnc(N2CCN(C(NCC(=O)N(C)C)=[NH+]C3CCCC3)CC2)c1	ZINC000262249121	823781064	/nfs/dbraw/zinc/78/10/64/823781064.db2.gz	BNLHJCQQHIHTTI-UHFFFAOYSA-N	1	0	372.517	1.488	20	30		FDEDRO
Cn1cc(CC[N@@H+]2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]3C2)cn1	ZINC001087924728	823928070	/nfs/dbraw/zinc/92/80/70/823928070.db2.gz	HDUWTJRBTRAZQP-SJORKVTESA-N	1	0	352.442	1.256	20	30		FDEDRO
Cn1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]3C2)cc1=O	ZINC001087925236	823936612	/nfs/dbraw/zinc/93/66/12/823936612.db2.gz	CBMCEDAEVXABPB-SJORKVTESA-N	1	0	365.437	1.179	20	30		FDEDRO
Cc1nccnc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C1	ZINC001087939958	824034417	/nfs/dbraw/zinc/03/44/17/824034417.db2.gz	BDFCZXMXRCQLQD-ZBFHGGJFSA-N	1	0	350.426	1.579	20	30		FDEDRO
N#Cc1cc(C(=O)N2C[C@@H]3C[N@@H+](C[C@H]4CCNC(=O)CC4)CC[C@@H]3C2)c[nH]1	ZINC001087941316	824039574	/nfs/dbraw/zinc/03/95/74/824039574.db2.gz	WIOZIPXQQAHICE-INMHGKMJSA-N	1	0	369.469	1.197	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4coc(C)c4)C[C@@H]3C2)C1=O	ZINC001087945868	824073409	/nfs/dbraw/zinc/07/34/09/824073409.db2.gz	PPLPIEYSNAARTI-BPQIPLTHSA-N	1	0	357.454	1.769	20	30		FDEDRO
CC(C)[C@@H](O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3F)CC[C@@H]2C1	ZINC001087955748	824144292	/nfs/dbraw/zinc/14/42/92/824144292.db2.gz	FOBQUTYBEODWRT-HHXXYDBFSA-N	1	0	359.445	1.995	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4)CC[C@@H]3C2)o1	ZINC001087956853	824147718	/nfs/dbraw/zinc/14/77/18/824147718.db2.gz	LYPPKQDOXJWSGM-MSOLQXFVSA-N	1	0	365.437	1.773	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(c4ccccn4)C[C@H]3C)C[C@@H]2C1	ZINC001087969721	824264009	/nfs/dbraw/zinc/26/40/09/824264009.db2.gz	KBAGTZQCDGWDPR-YSTOQKLRSA-N	1	0	366.509	1.958	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(-c4ccn(C)n4)on3)C[C@@H]2C1	ZINC001087979199	824341137	/nfs/dbraw/zinc/34/11/37/824341137.db2.gz	OYEVQQFWJCPHLK-CABCVRRESA-N	1	0	353.426	1.492	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4nccn4)C[C@@H]3C2)cc1F	ZINC001087980669	824347724	/nfs/dbraw/zinc/34/77/24/824347724.db2.gz	MARGVPJXCPPFJO-SJORKVTESA-N	1	0	368.416	1.269	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3[nH]nc4c3cccc4OC)C[C@@H]2C1	ZINC001087981936	824352581	/nfs/dbraw/zinc/35/25/81/824352581.db2.gz	CLNCIMWDJZYJAO-CABCVRRESA-N	1	0	352.438	1.989	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)C2C[NH+](C3CCOCC3)C2)CCN1Cc1ccccc1	ZINC000896362708	824362200	/nfs/dbraw/zinc/36/22/00/824362200.db2.gz	LLDPQDZUNNEVQL-HXUWFJFHSA-N	1	0	368.481	1.334	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)CC[N@@H+]1C	ZINC000329059196	824550063	/nfs/dbraw/zinc/55/00/63/824550063.db2.gz	MZXGTTDGOXVEEO-MUQADHOPSA-N	1	0	362.522	1.789	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)CC[N@@H+]1C	ZINC000329059195	824550207	/nfs/dbraw/zinc/55/02/07/824550207.db2.gz	MZXGTTDGOXVEEO-KYHPRHEASA-N	1	0	362.522	1.789	20	30		FDEDRO
C[C@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)[C@@H]1C[N@H+](C)CCN1C	ZINC000896542546	824553462	/nfs/dbraw/zinc/55/34/62/824553462.db2.gz	RUEXJUXSKUJCKJ-QOKNQOGYSA-N	1	0	373.476	1.274	20	30		FDEDRO
Cc1nc(Cn2nnc(NC(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)c2C)no1	ZINC000329118218	824602196	/nfs/dbraw/zinc/60/21/96/824602196.db2.gz	JJCKTHKEHWDRPR-CYBMUJFWSA-N	1	0	360.422	1.042	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2CCN(c3cc(OC)ccn3)CC2)CC1	ZINC000329128769	824612717	/nfs/dbraw/zinc/61/27/17/824612717.db2.gz	ZSKKSXWVGKEARA-UHFFFAOYSA-N	1	0	361.490	1.653	20	30		FDEDRO
C=CCc1cc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)cc(OC)c1OC	ZINC000896576187	824651969	/nfs/dbraw/zinc/65/19/69/824651969.db2.gz	FXFPPXXCVAFSQN-YOEHRIQHSA-N	1	0	361.486	1.796	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)c3cc(-c4cccnc4)on3)CC2)C1=O	ZINC000329181050	824652071	/nfs/dbraw/zinc/65/20/71/824652071.db2.gz	OALGEPYKFQVHSV-INIZCTEOSA-N	1	0	369.425	1.736	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)Cc3ccc4c(c3)OCCO4)CC2)C1=O	ZINC000329193442	824660648	/nfs/dbraw/zinc/66/06/48/824660648.db2.gz	SLTPFIZLYWPGQZ-MRXNPFEDSA-N	1	0	373.453	1.652	20	30		FDEDRO
C[C@@H]1C[N@H+](C)CCN1CC(=O)NCc1ccccc1CN1CCCC1=O	ZINC000329212741	824672756	/nfs/dbraw/zinc/67/27/56/824672756.db2.gz	IGCIROAELBCVRB-MRXNPFEDSA-N	1	0	358.486	1.901	20	30		FDEDRO
C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)cn2)CCO1	ZINC000329303023	824724663	/nfs/dbraw/zinc/72/46/63/824724663.db2.gz	NSTGVBBCWMKDGB-GDBMZVCRSA-N	1	0	359.474	1.547	20	30		FDEDRO
CCOc1ccnc(N2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)n1	ZINC000329303055	824725210	/nfs/dbraw/zinc/72/52/10/824725210.db2.gz	NSYIFXQYRLHKDZ-CQSZACIVSA-N	1	0	360.462	1.148	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCCN(C(=O)N4CCCC4)C3)[C@@H]2C1	ZINC000329336170	824743243	/nfs/dbraw/zinc/74/32/43/824743243.db2.gz	LOWWJJUNNGLGHO-BRWVUGGUSA-N	1	0	363.506	1.607	20	30		FDEDRO
CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cnn(C)c2C#N)c1	ZINC000474896796	824759286	/nfs/dbraw/zinc/75/92/86/824759286.db2.gz	FXRVTFZIAJDZIL-UHFFFAOYSA-N	1	0	368.441	1.616	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccc(CNC(=O)c3cnn(C)c3C#N)cc2)CC1	ZINC000474904419	824783090	/nfs/dbraw/zinc/78/30/90/824783090.db2.gz	FXZUWURXFWMCJC-UHFFFAOYSA-N	1	0	366.469	1.359	20	30		FDEDRO
Cn1nccc1C1=CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1	ZINC000329465679	824812114	/nfs/dbraw/zinc/81/21/14/824812114.db2.gz	VQDZAQGDMINGLA-MOPGFXCFSA-N	1	0	373.501	1.801	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)c3cc(F)cc4nccnc43)CC2)C1=O	ZINC000329470774	824820141	/nfs/dbraw/zinc/82/01/41/824820141.db2.gz	YMFBILYPXCZOJR-INIZCTEOSA-N	1	0	371.416	1.769	20	30		FDEDRO
CN1C(=O)N[C@]2(CCN(C(=O)NCC3([NH+](C)C)CCCCCC3)C2)C1=O	ZINC000329491937	824836228	/nfs/dbraw/zinc/83/62/28/824836228.db2.gz	VUEDJSXKFBAERF-SFHVURJKSA-N	1	0	365.478	1.386	20	30		FDEDRO
C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21	ZINC000329533724	824861569	/nfs/dbraw/zinc/86/15/69/824861569.db2.gz	KNMDZUFWVNDXNW-VKJFTORMSA-N	1	0	369.469	1.725	20	30		FDEDRO
C[NH+]1CCC(O)(CNC(=O)Nc2cc(F)cc(N3CCOCC3)c2)CC1	ZINC000329577692	824896098	/nfs/dbraw/zinc/89/60/98/824896098.db2.gz	OTRPIQPHDJBCIT-UHFFFAOYSA-N	1	0	366.437	1.445	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@H]3CC3(C)C)[C@H]2CC)CC1	ZINC000984785914	824913116	/nfs/dbraw/zinc/91/31/16/824913116.db2.gz	UMNWGOATNPHLKF-FGTMMUONSA-N	1	0	359.514	1.873	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C	ZINC000984790465	824920950	/nfs/dbraw/zinc/92/09/50/824920950.db2.gz	TZYBQWBCMGOXKX-RCCFBDPRSA-N	1	0	371.485	1.868	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CNC(=O)c4ccccc43)C[C@@H]2C1	ZINC001087996577	825001019	/nfs/dbraw/zinc/00/10/19/825001019.db2.gz	AHWKQYXNPGXJFJ-JTDSTZFVSA-N	1	0	351.450	1.317	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CNC(=O)c4ccccc43)C[C@@H]2C1	ZINC001087996631	825002307	/nfs/dbraw/zinc/00/23/07/825002307.db2.gz	DPZSDUCDFNFQSG-JTDSTZFVSA-N	1	0	351.450	1.317	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OCCO[C@@H]3c3ccccc3)C[C@@H]2C1	ZINC001087999849	825056857	/nfs/dbraw/zinc/05/68/57/825056857.db2.gz	DZIBHYHTQRVQKY-PLACYPQZSA-N	1	0	368.477	1.947	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCO[C@H]3c3cnn(C)c3)C[C@@H]2C1	ZINC001087998381	825078113	/nfs/dbraw/zinc/07/81/13/825078113.db2.gz	FKMXEPWOGKNUBA-LULLPPNCSA-N	1	0	358.486	1.854	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccsn4)C[C@@H]3C2)C1=O	ZINC001088008598	825199851	/nfs/dbraw/zinc/19/98/51/825199851.db2.gz	XESFLWPCSHPCFZ-IJEWVQPXSA-N	1	0	360.483	1.324	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cn4c(n3)C[C@H](OC)CC4)C[C@@H]2C1	ZINC001088010065	825214493	/nfs/dbraw/zinc/21/44/93/825214493.db2.gz	IIPWDLKOUZUWDR-IXDOHACOSA-N	1	0	356.470	1.262	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC4(C3)CS(=O)(=O)C4)C[C@@H]2C1	ZINC001088012398	825239565	/nfs/dbraw/zinc/23/95/65/825239565.db2.gz	HLGBUEZDSSAPJZ-ZBFHGGJFSA-N	1	0	352.500	1.168	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cc4ccccc4)C[C@@H]3C2)C1=O	ZINC001088015988	825269256	/nfs/dbraw/zinc/26/92/56/825269256.db2.gz	JXSFJXMMBMMYBQ-HSALFYBXSA-N	1	0	367.493	1.796	20	30		FDEDRO
COc1cc(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)ncn1	ZINC000329683522	825301100	/nfs/dbraw/zinc/30/11/00/825301100.db2.gz	XTBVSBSERNZYBK-CABCVRRESA-N	1	0	360.462	1.148	20	30		FDEDRO
Cc1ccc(N2CCC[C@H](NC(=O)N(C)C[C@@H]3CCC[N@H+](C)C3)C2)nn1	ZINC000329683079	825301303	/nfs/dbraw/zinc/30/13/03/825301303.db2.gz	SVGLQEHTYFLTSP-SJORKVTESA-N	1	0	360.506	1.941	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]1C(F)(F)F	ZINC001112173819	825313917	/nfs/dbraw/zinc/31/39/17/825313917.db2.gz	PYMFNZKFCHZYAY-VXGBXAGGSA-N	1	0	370.437	1.755	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H]2CC)cc1	ZINC000984899731	825320727	/nfs/dbraw/zinc/32/07/27/825320727.db2.gz	JVTCKOXZKREKNX-RBUKOAKNSA-N	1	0	353.466	1.873	20	30		FDEDRO
C=CC[N@@H+](C[C@](C)(O)C(=O)OCC)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000475029843	825361113	/nfs/dbraw/zinc/36/11/13/825361113.db2.gz	FUGAQWNIQJXJQA-KSSFIOAISA-N	1	0	359.430	1.525	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@H]3CCc4[nH]cnc4C3)CC2)CC1	ZINC000329735440	825408027	/nfs/dbraw/zinc/40/80/27/825408027.db2.gz	RZCXTHZFTJKLBQ-INIZCTEOSA-N	1	0	374.533	1.671	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)Cc3ccccc3)CC2)CC[N@@H+]1C	ZINC000329816838	825478119	/nfs/dbraw/zinc/47/81/19/825478119.db2.gz	WIAONNJODLTCPS-AEFFLSMTSA-N	1	0	358.486	1.770	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O	ZINC000329842546	825498570	/nfs/dbraw/zinc/49/85/70/825498570.db2.gz	PBMRXURKHYMDLU-MLGOLLRUSA-N	1	0	356.426	1.931	20	30		FDEDRO
CC(C)[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O	ZINC000329903056	825535594	/nfs/dbraw/zinc/53/55/94/825535594.db2.gz	ICSXNIJOSFVXOF-INIZCTEOSA-N	1	0	358.442	1.772	20	30		FDEDRO
Cc1c([C@H]2[C@H](C(=O)NCC[N@H+]3CC=C(C)CC3)CC(=O)N2C)cnn1C	ZINC000329943331	825556746	/nfs/dbraw/zinc/55/67/46/825556746.db2.gz	HSPONQYNGXKMTD-CRAIPNDOSA-N	1	0	359.474	1.856	20	30		FDEDRO
CC(C)(O)C[NH+]1CCN(C(=O)NCc2cc(F)cc3c2OCOC3)CC1	ZINC000329963289	825568906	/nfs/dbraw/zinc/56/89/06/825568906.db2.gz	TYVDBKOQUJSYCQ-UHFFFAOYSA-N	1	0	367.421	1.495	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4nc(C)nn4C3)C[C@@H]2C1	ZINC001088050016	825596027	/nfs/dbraw/zinc/59/60/27/825596027.db2.gz	KWSNMWNXUUMPAV-SQNIBIBYSA-N	1	0	357.502	1.895	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCCN3CC(F)F)C[C@@H]2C1	ZINC001088053743	825652512	/nfs/dbraw/zinc/65/25/12/825652512.db2.gz	XXKGYIPEDJMSCP-OWCLPIDISA-N	1	0	357.445	1.309	20	30		FDEDRO
CNC(=O)c1ccc(CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1	ZINC000330188581	825711320	/nfs/dbraw/zinc/71/13/20/825711320.db2.gz	LGRSJTVVNRAXNR-MRXNPFEDSA-N	1	0	360.458	1.114	20	30		FDEDRO
C[C@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)[C@H](C)N1CCOCC1	ZINC000330256590	825770059	/nfs/dbraw/zinc/77/00/59/825770059.db2.gz	KUHJIPDFFPMCEY-IKGGRYGDSA-N	1	0	368.522	1.195	20	30		FDEDRO
CC(C)N1C[C@H](NC(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1=O	ZINC000330259461	825771163	/nfs/dbraw/zinc/77/11/63/825771163.db2.gz	SBVWOUXFKYBRAW-SJORKVTESA-N	1	0	365.522	1.012	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1nnc2n1CCCC2	ZINC000330261212	825777952	/nfs/dbraw/zinc/77/79/52/825777952.db2.gz	OYCYNTFREQSABX-CQSZACIVSA-N	1	0	362.478	1.214	20	30		FDEDRO
O=C(CCNC(=O)[C@@H]1CCC[N@@H+]1C1CC1)N1CCN(c2ccccn2)CC1	ZINC000330266244	825781053	/nfs/dbraw/zinc/78/10/53/825781053.db2.gz	PWFXGNWPANTOJH-KRWDZBQOSA-N	1	0	371.485	1.704	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)CC[C@@H]2C1	ZINC001088064810	825787899	/nfs/dbraw/zinc/78/78/99/825787899.db2.gz	WITRGWIMFMSHQO-BBWFWOEESA-N	1	0	368.543	1.804	20	30		FDEDRO
CC[NH+]1CCN(CCCNC(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1	ZINC000281114350	825880689	/nfs/dbraw/zinc/88/06/89/825880689.db2.gz	CRWGLKNJXGODLO-UHFFFAOYSA-N	1	0	366.469	1.501	20	30		FDEDRO
CC(C)N1CC[C@H](NC(=O)N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C1=O	ZINC000330318914	825901643	/nfs/dbraw/zinc/90/16/43/825901643.db2.gz	CTJFLHALJYUQTC-BZSNNMDCSA-N	1	0	373.501	1.930	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CCCO1	ZINC000281187981	825905699	/nfs/dbraw/zinc/90/56/99/825905699.db2.gz	LDHCLEZCJPUUEH-APWZRJJASA-N	1	0	354.454	1.858	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccn(C)c(=O)c1	ZINC001029511846	825914003	/nfs/dbraw/zinc/91/40/03/825914003.db2.gz	DOEYQFIEZBGPFO-DMUMMCEESA-N	1	0	371.481	1.542	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCN(C)[C@H](c3nccn3C)C2)C1	ZINC000330339215	825943461	/nfs/dbraw/zinc/94/34/61/825943461.db2.gz	WKNQHQDNHZXTNA-SJORKVTESA-N	1	0	362.522	1.743	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H]3C[N@@H+](C[C@H]4CCS(=O)(=O)C4)CC[C@@H]3C2)C1	ZINC001088098272	826386717	/nfs/dbraw/zinc/38/67/17/826386717.db2.gz	BJNGDINDEOLHHS-ZACQAIPSSA-N	1	0	366.527	1.558	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3CCN(Cc4nnc5n4CCOC5)C[C@H]3C2)C1	ZINC001088098431	826391845	/nfs/dbraw/zinc/39/18/45/826391845.db2.gz	JBJYMRNJLRLNRM-CVEARBPZSA-N	1	0	371.485	1.445	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cccnc3OC)CC[C@@H]2C1	ZINC001088112542	826444834	/nfs/dbraw/zinc/44/48/34/826444834.db2.gz	LIANHULXANIMRH-LULLPPNCSA-N	1	0	371.481	1.962	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnc(C)cn3)CC[C@@H]2C1	ZINC001088113216	826445573	/nfs/dbraw/zinc/44/55/73/826445573.db2.gz	VDKOMUCHPJQSDS-JFRXWTBNSA-N	1	0	356.470	1.656	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(CNC(C)=O)s3)C[C@@H]2C1	ZINC001088121405	826490036	/nfs/dbraw/zinc/49/00/36/826490036.db2.gz	DMXHOSZCYCPMAO-CVEARBPZSA-N	1	0	359.495	1.801	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(C)nc3C(F)(F)F)C[C@@H]2C1	ZINC001088121869	826509180	/nfs/dbraw/zinc/50/91/80/826509180.db2.gz	BDUMNBJSXVILEA-OLZOCXBDSA-N	1	0	354.376	1.856	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4ocnc4C)CC[C@@H]3C2)nn1	ZINC001088133338	826573332	/nfs/dbraw/zinc/57/33/32/826573332.db2.gz	BZMFNZZRYJAOIG-CABCVRRESA-N	1	0	356.430	1.355	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2CC)cn1	ZINC000985209544	826928564	/nfs/dbraw/zinc/92/85/64/826928564.db2.gz	DLDRSWYZYXFKBU-RBUKOAKNSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](C[C@H]4CCCOC4)CC[C@@H]3C2)nc1	ZINC001088174301	827220879	/nfs/dbraw/zinc/22/08/79/827220879.db2.gz	PPZVILXRBGBWAB-QRVBRYPASA-N	1	0	353.466	1.883	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cnnn4)cc3)C[C@@H]2C1	ZINC001088192493	827392305	/nfs/dbraw/zinc/39/23/05/827392305.db2.gz	FUUOIDBZHFZZPK-SJORKVTESA-N	1	0	350.426	1.080	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(=O)C(C)C)C[C@@H]2C1	ZINC001088210363	827486161	/nfs/dbraw/zinc/48/61/61/827486161.db2.gz	IVHHHWDQBKXLTK-QYZOEREBSA-N	1	0	359.514	1.827	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3C(=O)Nc4ccccc43)C[C@@H]2C1	ZINC001088218630	827534106	/nfs/dbraw/zinc/53/41/06/827534106.db2.gz	BXKDKSYHYABIPA-RYRKJORJSA-N	1	0	351.450	1.916	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3CCO[C@H]3C(=C)C)CC2)C1	ZINC001088239530	827665925	/nfs/dbraw/zinc/66/59/25/827665925.db2.gz	ZFBAYSJXNOKFGO-UFYCRDLUSA-N	1	0	360.498	1.930	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cn(C)nc2C)C1	ZINC001029740939	827961659	/nfs/dbraw/zinc/96/16/59/827961659.db2.gz	FHJSSOIZKOGBJH-UHOSZYNNSA-N	1	0	360.502	1.990	20	30		FDEDRO
N#Cc1ccccc1OCC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000440525030	828179142	/nfs/dbraw/zinc/17/91/42/828179142.db2.gz	UOYIKSKRLSQPDS-NRFANRHFSA-N	1	0	365.433	1.690	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1=O	ZINC000985552242	828198049	/nfs/dbraw/zinc/19/80/49/828198049.db2.gz	XTELPASVOSRTRN-LHIBYTEYSA-N	1	0	373.497	1.120	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCN(CC[NH+](C)C)CC1	ZINC000523703286	828254989	/nfs/dbraw/zinc/25/49/89/828254989.db2.gz	ATSINUPQPXRWDU-IBGZPJMESA-N	1	0	358.486	1.667	20	30		FDEDRO
C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)C[C@@H](C)N1CC#N	ZINC000925167806	828295973	/nfs/dbraw/zinc/29/59/73/828295973.db2.gz	DHUCIPBUDFHJNW-KLHDSHLOSA-N	1	0	351.520	1.194	20	30		FDEDRO
CCN1CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@H]1c1ncc[nH]1	ZINC000527068727	828941819	/nfs/dbraw/zinc/94/18/19/828941819.db2.gz	UNEARWBUZPAHPU-KRWDZBQOSA-N	1	0	352.442	1.989	20	30		FDEDRO
N#CC1(NC(=O)CNc2ccccc2C[NH+]2CCC(CO)CC2)CCC1	ZINC000527117699	828965050	/nfs/dbraw/zinc/96/50/50/828965050.db2.gz	HBNQPUDSVDWVIN-UHFFFAOYSA-N	1	0	356.470	1.865	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@@H+](C)[C@H]2CCCN(C)C2=O)CC1	ZINC000985695609	829030798	/nfs/dbraw/zinc/03/07/98/829030798.db2.gz	ARDXTQBXAHGCAA-BZSNNMDCSA-N	1	0	363.502	1.511	20	30		FDEDRO
CC1([NH+]2CCOCC2)CCN(C(=O)NCCOc2ccc(C#N)cc2)CC1	ZINC000527781164	829172781	/nfs/dbraw/zinc/17/27/81/829172781.db2.gz	UGBUNAZPEIHWFL-UHFFFAOYSA-N	1	0	372.469	1.833	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2ccc(C#N)n2C)CC1	ZINC000448694982	829211899	/nfs/dbraw/zinc/21/18/99/829211899.db2.gz	SBUHPZBOYITPKL-UHFFFAOYSA-N	1	0	365.481	1.964	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)Cc3ccc(C#N)nc3)cn2)CC1	ZINC000528016038	829239046	/nfs/dbraw/zinc/23/90/46/829239046.db2.gz	OKUUCCNHUJCCIQ-UHFFFAOYSA-N	1	0	364.453	1.349	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@H]2CCCCCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)s1	ZINC001088382583	829355135	/nfs/dbraw/zinc/35/51/35/829355135.db2.gz	FXRDPSHWCNEWEG-MAZHCROVSA-N	1	0	360.483	1.602	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@H]1CN1CCOCC1	ZINC000528391007	829378853	/nfs/dbraw/zinc/37/88/53/829378853.db2.gz	CUMFOZNVSKMDCN-OALUTQOASA-N	1	0	359.470	1.485	20	30		FDEDRO
Cn1cc(C[C@@H]2CC[N@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)cn1	ZINC000528401740	829384808	/nfs/dbraw/zinc/38/48/08/829384808.db2.gz	YWTJXYMSPOONLX-INIZCTEOSA-N	1	0	362.433	1.584	20	30		FDEDRO
C[C@@H]1CN(C[C@@H](O)COc2ccccc2C#N)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000528431884	829400787	/nfs/dbraw/zinc/40/07/87/829400787.db2.gz	NTHBTUZXIGEBFX-MISYRCLQSA-N	1	0	372.513	1.256	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(OC[C@H]2CCOC2)CC1	ZINC000528426821	829405868	/nfs/dbraw/zinc/40/58/68/829405868.db2.gz	HKIRUZRMWNBRRM-FUHWJXTLSA-N	1	0	360.454	1.815	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(C[C@H](O)COc2ccccc2C#N)CC1	ZINC000528483354	829429911	/nfs/dbraw/zinc/42/99/11/829429911.db2.gz	CTKQFUZNZROMOW-KRWDZBQOSA-N	1	0	368.437	1.524	20	30		FDEDRO
C[N@@H+]1CC[C@@]2(C1)CCCN(CC#CCN1C(=O)c3ccccc3C1=O)C2	ZINC000528519785	829435996	/nfs/dbraw/zinc/43/59/96/829435996.db2.gz	WCDMFDQKBZILNX-OAQYLSRUSA-N	1	0	351.450	1.704	20	30		FDEDRO
CC(C)(C)[N@@H+]1C[C@@H](C(=O)N2CCN(C(=O)CC#N)CC2)[C@H](C(F)(F)F)C1	ZINC000450129053	829821199	/nfs/dbraw/zinc/82/11/99/829821199.db2.gz	RGPPVLKJERXNIW-CHWSQXEVSA-N	1	0	374.407	1.480	20	30		FDEDRO
Cn1c(C#N)ccc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000450180738	829846683	/nfs/dbraw/zinc/84/66/83/829846683.db2.gz	LMWQYCLNBXSSSF-FUHWJXTLSA-N	1	0	352.438	1.510	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNc2nc3c(cc2C#N)COCC3)ccn1	ZINC000450411301	829949914	/nfs/dbraw/zinc/94/99/14/829949914.db2.gz	NMPRZXHGXZWKJI-UHFFFAOYSA-N	1	0	353.426	1.973	20	30		FDEDRO
O=C1CC[C@@H]2CN(C(NCCc3ccco3)=[NH+]C[C@H]3CCOC3)CCN12	ZINC000262677229	830052083	/nfs/dbraw/zinc/05/20/83/830052083.db2.gz	RMCPDZPECLERGD-HZPDHXFCSA-N	1	0	360.458	1.111	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1COC(=O)CCN1c2ccccc2O[C@@H](C)C1=O	ZINC000729808434	837423273	/nfs/dbraw/zinc/42/32/73/837423273.db2.gz	BPMNFCSVDBUWCT-HOTGVXAUSA-N	1	0	356.422	1.831	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1	ZINC000729809818	837434199	/nfs/dbraw/zinc/43/41/99/837434199.db2.gz	PPBAUJGDCJJOIR-JKSUJKDBSA-N	1	0	364.467	1.303	20	30		FDEDRO
CCO[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C12CCC2	ZINC000451481506	830372915	/nfs/dbraw/zinc/37/29/15/830372915.db2.gz	RHGKXMUPYFQSDD-RCCFBDPRSA-N	1	0	362.518	1.616	20	30		FDEDRO
CC(C)[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)[C@@H](CO)C(C)C	ZINC000451598483	830404769	/nfs/dbraw/zinc/40/47/69/830404769.db2.gz	OQNRDLWSOQMCSX-NLWGTHIKSA-N	1	0	366.550	1.557	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](C(=O)NC[C@H]3CCCC[N@H+]3CCO)C2)c(F)c1	ZINC000452382617	830629134	/nfs/dbraw/zinc/62/91/34/830629134.db2.gz	YRUZIFHFUZKLOE-IAGOWNOFSA-N	1	0	374.460	1.487	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)c1	ZINC000453684193	831020436	/nfs/dbraw/zinc/02/04/36/831020436.db2.gz	BISXPYZQGPHIDM-UHFFFAOYSA-N	1	0	372.469	1.765	20	30		FDEDRO
C=C1CC(C)(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)C[C@@H]3C2)C1	ZINC000986156619	831208378	/nfs/dbraw/zinc/20/83/78/831208378.db2.gz	HXZPUVLMDFSXGT-CEXWTWQISA-N	1	0	371.525	1.991	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN2CC[C@H](NC(=O)[C@H]3CCOC3)[C@H]2C)c1	ZINC001088487537	831320944	/nfs/dbraw/zinc/32/09/44/831320944.db2.gz	DBEZMSNXVCQNTN-HFTRVMKXSA-N	1	0	355.438	1.222	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)/C=C\C4CC4)C[C@H]3C2)CC1	ZINC000986244766	831354064	/nfs/dbraw/zinc/35/40/64/831354064.db2.gz	AYNMHVYEERKOJB-XSXCZSQGSA-N	1	0	369.509	1.605	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)CC4CCC4)C[C@H]3C2)CC1	ZINC000986245386	831355880	/nfs/dbraw/zinc/35/58/80/831355880.db2.gz	JCCCMOVUIGKGJX-UXHICEINSA-N	1	0	371.525	1.829	20	30		FDEDRO
C[NH+](C)C1(C(=O)N2C[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)CC[C@@H]3C2)CCC1	ZINC000986258601	831388363	/nfs/dbraw/zinc/38/83/63/831388363.db2.gz	JAMBJDYVDPELAV-CABCVRRESA-N	1	0	369.469	1.291	20	30		FDEDRO
CC(C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1)[NH+](C)C	ZINC000986462696	831714149	/nfs/dbraw/zinc/71/41/49/831714149.db2.gz	XQEZIKKCPJKQOP-UWWQBHOKSA-N	1	0	371.485	1.393	20	30		FDEDRO
C=CCOCC(=O)NCC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001059734144	832111739	/nfs/dbraw/zinc/11/17/39/832111739.db2.gz	RKDRBHWHSLEJBS-YESZJQIVSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3CCN(C(=O)C4CC[NH+](C)CC4)C[C@H]3C2)C1	ZINC000986633136	832121581	/nfs/dbraw/zinc/12/15/81/832121581.db2.gz	ISPWHISHYXLRHG-MSOLQXFVSA-N	1	0	359.514	1.991	20	30		FDEDRO
C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1	ZINC000986854322	832280913	/nfs/dbraw/zinc/28/09/13/832280913.db2.gz	GNYNULHCEVKPIF-PMUMKWKESA-N	1	0	371.485	1.583	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCOC)C1	ZINC001112216165	832376223	/nfs/dbraw/zinc/37/62/23/832376223.db2.gz	UGBSGHSIFFYRMJ-MGPQQGTHSA-N	1	0	368.396	1.219	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001105439605	832378768	/nfs/dbraw/zinc/37/87/68/832378768.db2.gz	BOZCUFWRZRTVKZ-WIRSXHRWSA-N	1	0	371.481	1.117	20	30		FDEDRO
COC(=O)CC1([NH2+]CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1	ZINC000514675998	832438349	/nfs/dbraw/zinc/43/83/49/832438349.db2.gz	PCLYDPQIYJMBBL-UHFFFAOYSA-N	1	0	368.355	1.858	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C[C@@H](O)c1ccccc1F	ZINC001088530277	832462512	/nfs/dbraw/zinc/46/25/12/832462512.db2.gz	KIBDHLXZMXUBOB-OCBCSQNSSA-N	1	0	356.401	1.952	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]21	ZINC001075885058	832514014	/nfs/dbraw/zinc/51/40/14/832514014.db2.gz	CGQDXKOHBPFYGA-PKOBYXMFSA-N	1	0	366.465	1.719	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(CC=C)C3=O)C[C@H]21	ZINC001075885219	832517522	/nfs/dbraw/zinc/51/75/22/832517522.db2.gz	LMMZDIFIIGYIPK-YTQUADARSA-N	1	0	368.481	1.607	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)c1ccn2c[nH+]cc2c1	ZINC000987633744	833488515	/nfs/dbraw/zinc/48/85/15/833488515.db2.gz	ITAAUEWEJWVTDK-WBMJQRKESA-N	1	0	362.393	1.567	20	30		FDEDRO
Cc1nn(C)cc1CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001075891412	833519738	/nfs/dbraw/zinc/51/97/38/833519738.db2.gz	PTUNKWIYRLZWQQ-AZUAARDMSA-N	1	0	363.465	1.876	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001059831745	833648677	/nfs/dbraw/zinc/64/86/77/833648677.db2.gz	XBMHTJLMKDLFDD-IXDOHACOSA-N	1	0	351.491	1.274	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1C	ZINC000987964444	833874763	/nfs/dbraw/zinc/87/47/63/833874763.db2.gz	UMMQRHDWSPTKCT-HFTRVMKXSA-N	1	0	371.485	1.868	20	30		FDEDRO
C=CCOCCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO	ZINC000666521489	833877088	/nfs/dbraw/zinc/87/70/88/833877088.db2.gz	GXWMKZWCXAFYBW-RBUKOAKNSA-N	1	0	361.486	1.761	20	30		FDEDRO
C=CCOCCCNC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1	ZINC000666523629	833881473	/nfs/dbraw/zinc/88/14/73/833881473.db2.gz	XJKINTHCYZPOSV-QZTJIDSGSA-N	1	0	352.523	1.779	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](CN(C)C(=O)[C@]34C[C@H]3CCC4)C2)CC1	ZINC000988067837	833991286	/nfs/dbraw/zinc/99/12/86/833991286.db2.gz	WJLYWOGPPHQPQA-LRXVAGHRSA-N	1	0	371.525	1.829	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1	ZINC000988069079	833992357	/nfs/dbraw/zinc/99/23/57/833992357.db2.gz	QCUSYBLXCQKDKS-BBWFWOEESA-N	1	0	363.502	1.369	20	30		FDEDRO
CNS(=O)(=O)c1cccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)c1	ZINC000262570221	837772383	/nfs/dbraw/zinc/77/23/83/837772383.db2.gz	YZCKSRSCRSEWCZ-MRXNPFEDSA-N	1	0	374.466	1.523	20	30		FDEDRO
[NH2+]=C(NC[C@H](N1CCOCC1)C(F)(F)F)N[C@@H]1CCOc2ccccc21	ZINC000262668516	837823626	/nfs/dbraw/zinc/82/36/26/837823626.db2.gz	PYTRJHPUFREQHM-HIFRSBDPSA-N	1	0	372.391	1.678	20	30		FDEDRO
N#Cc1ccc(CNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1F	ZINC000454516753	835541119	/nfs/dbraw/zinc/54/11/19/835541119.db2.gz	IJNCUMDBXFNGTM-HNNXBMFYSA-N	1	0	360.433	1.997	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[N@@H+](CCOCc2ccc(OC)cc2)C[C@H]1OC	ZINC001212022434	836298823	/nfs/dbraw/zinc/29/88/23/836298823.db2.gz	QETGFDAJHQXHJC-RTBURBONSA-N	1	0	362.470	1.993	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H]1C	ZINC000988627798	836315843	/nfs/dbraw/zinc/31/58/43/836315843.db2.gz	BTGWOABTWNEPGF-NXHRZFHOSA-N	1	0	370.497	1.735	20	30		FDEDRO
CO[C@@H]1C[N@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1NC(=O)[C@@H](C)C#N	ZINC001212041178	836354288	/nfs/dbraw/zinc/35/42/88/836354288.db2.gz	HHOKEQQHUDDCLR-BMGDILEWSA-N	1	0	353.426	1.347	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(CC)on3)[C@H]2C(C)C)C[C@H]1O	ZINC001105669340	844208128	/nfs/dbraw/zinc/20/81/28/844208128.db2.gz	QWXPLHRRRYEAHD-XSYGEPLQSA-N	1	0	359.470	1.840	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105669470	844247963	/nfs/dbraw/zinc/24/79/63/844247963.db2.gz	RUNYOCMHKUAMLE-WOCWXWTJSA-N	1	0	350.503	1.648	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCc2ccc(OC)cc2)[C@@H]1C	ZINC001088631900	838610791	/nfs/dbraw/zinc/61/07/91/838610791.db2.gz	MKWWLXFPVDLMSH-QMMLZNLJSA-N	1	0	369.509	1.914	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(OC)cc2)[C@@H]1C	ZINC001088631098	838621929	/nfs/dbraw/zinc/62/19/29/838621929.db2.gz	QSPNFBIEBSOKFG-UXPWSPDFSA-N	1	0	355.482	1.872	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C[C@H]2CCN(C)C2=O)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088644777	838853866	/nfs/dbraw/zinc/85/38/66/838853866.db2.gz	RCGKQJWAIWLBQS-OLMNPRSZSA-N	1	0	354.454	1.506	20	30		FDEDRO
CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N(C)Cc1cccc(C#N)c1	ZINC000459931716	839122494	/nfs/dbraw/zinc/12/24/94/839122494.db2.gz	AHYHCUMJWMNCDG-SFHVURJKSA-N	1	0	356.470	1.849	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1	ZINC000459951732	839161751	/nfs/dbraw/zinc/16/17/51/839161751.db2.gz	UWDPOJKFAQRMDN-IBGZPJMESA-N	1	0	368.481	1.707	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3cccnc3C)[C@H]2C)CC1	ZINC000989318267	839433021	/nfs/dbraw/zinc/43/30/21/839433021.db2.gz	OVGXSOBFOHMEQP-APWZRJJASA-N	1	0	368.481	1.454	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2CC)CCC1	ZINC001105563302	839974243	/nfs/dbraw/zinc/97/42/43/839974243.db2.gz	JIQBJSSFQCEQPG-KZNAEPCWSA-N	1	0	359.514	1.923	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2C2CC2)CCC1	ZINC001105568762	839978269	/nfs/dbraw/zinc/97/82/69/839978269.db2.gz	YDVPFCASBVXZFT-OTWHNJEPSA-N	1	0	371.525	1.923	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)F)[C@H]2C(C)C)C[C@H]1O	ZINC001105585706	840008056	/nfs/dbraw/zinc/00/80/56/840008056.db2.gz	VNCSCMBBLMMSFW-OAFZBRQQSA-N	1	0	354.466	1.350	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3=COCCO3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105589855	840116821	/nfs/dbraw/zinc/11/68/21/840116821.db2.gz	GHVGSOLBJIEHLT-QQTQMKHKSA-N	1	0	364.486	1.807	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@]2(C)CCOC3(CCC3)C2)CC1	ZINC000897675018	840218517	/nfs/dbraw/zinc/21/85/17/840218517.db2.gz	ODUGYSJFUGLVAZ-LJQANCHMSA-N	1	0	363.502	1.609	20	30		FDEDRO
CN1CCC[C@@H]1c1cc(C(=O)N2CCN(c3cnccc3C#N)CC2)n[nH]1	ZINC000897828195	840459921	/nfs/dbraw/zinc/45/99/21/840459921.db2.gz	QIPGHJWOQDELOV-QGZVFWFLSA-N	1	0	365.441	1.405	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)noc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105594520	840572754	/nfs/dbraw/zinc/57/27/54/840572754.db2.gz	RNLLJZJYDXSNST-CIWUYKSXSA-N	1	0	359.470	1.894	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](CC)C2)cc1	ZINC000667551909	844560111	/nfs/dbraw/zinc/56/01/11/844560111.db2.gz	BVURDPXMYUMVCA-CJNGLKHVSA-N	1	0	373.457	1.518	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C	ZINC000898044803	840685417	/nfs/dbraw/zinc/68/54/17/840685417.db2.gz	BBQSMZBYTPJSSF-JZXOWHBKSA-N	1	0	372.469	1.216	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCn3cccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105597040	840763300	/nfs/dbraw/zinc/76/33/00/840763300.db2.gz	BIDQOAXDZCRLTF-JYBIWHBTSA-N	1	0	358.486	1.263	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCn3cccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105598766	840779443	/nfs/dbraw/zinc/77/94/43/840779443.db2.gz	WPIXRUCADIUMGF-JYBIWHBTSA-N	1	0	360.502	1.815	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(CC)n[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105600208	840994328	/nfs/dbraw/zinc/99/43/28/840994328.db2.gz	CXIODQLNVIQYPB-SOAMZJECSA-N	1	0	358.486	1.575	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)nn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105600983	841028153	/nfs/dbraw/zinc/02/81/53/841028153.db2.gz	QHYBLHMHMGCRSW-LBKNJMOBSA-N	1	0	360.502	1.884	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]3CN(CC#Cc4ccccc4)C[C@H]32)O1	ZINC001075943542	841033473	/nfs/dbraw/zinc/03/34/73/841033473.db2.gz	VWNBESXLYBKGPO-GFOJFJKKSA-N	1	0	367.493	1.290	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCOCC(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105603449	841170789	/nfs/dbraw/zinc/17/07/89/841170789.db2.gz	KKDSZJCOVBZILG-HNBVOPMISA-N	1	0	350.503	1.648	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105605011	841186857	/nfs/dbraw/zinc/18/68/57/841186857.db2.gz	ZTSVVWXDURHUQP-JYBIWHBTSA-N	1	0	368.518	1.582	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105606169	841204476	/nfs/dbraw/zinc/20/44/76/841204476.db2.gz	AOGAGZCJXGLCIA-IZBJGVDFSA-N	1	0	368.518	1.582	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nccnc3N)[C@@H]2C(C)C)C[C@H]1O	ZINC001105606411	841205695	/nfs/dbraw/zinc/20/56/95/841205695.db2.gz	CYQBNXUSFXLLAD-UMHPPVOVSA-N	1	0	359.474	1.215	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(CC)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105607679	841232953	/nfs/dbraw/zinc/23/29/53/841232953.db2.gz	VSFNWGXWXCSSTL-FTEYMNFISA-N	1	0	358.486	1.506	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3oncc3C)[C@H]2C)CC1	ZINC000989687367	841360335	/nfs/dbraw/zinc/36/03/35/841360335.db2.gz	JAOLYGRADTYGQO-ZBFHGGJFSA-N	1	0	358.442	1.047	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cc(C)on3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105609818	841392156	/nfs/dbraw/zinc/39/21/56/841392156.db2.gz	BONAZYFJDPTANW-HNBVOPMISA-N	1	0	359.470	1.515	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)Cc3occc3C)[C@H]2C)CC1	ZINC000989801509	841471095	/nfs/dbraw/zinc/47/10/95/841471095.db2.gz	MHMXZVHPJYXAQK-AEFFLSMTSA-N	1	0	371.481	1.581	20	30		FDEDRO
CC(=O)N[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#Cc2ccccc2)C1	ZINC001112246512	841551452	/nfs/dbraw/zinc/55/14/52/841551452.db2.gz	DZJMBXJEKWRBRG-AGHHOFFYSA-N	1	0	367.493	1.781	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cc(C)on3)[C@H]2C(C)C)C[C@H]1O	ZINC001105610148	841578231	/nfs/dbraw/zinc/57/82/31/841578231.db2.gz	IIITYQCDWIJTIN-JYBIWHBTSA-N	1	0	359.470	1.515	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(N)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105610445	841629930	/nfs/dbraw/zinc/62/99/30/841629930.db2.gz	KLAYMEHYKXXPEX-YKCBXCCJSA-N	1	0	367.534	1.798	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nnn(C)c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105612252	841995682	/nfs/dbraw/zinc/99/56/82/841995682.db2.gz	YWRABCRHKADGHM-FXRXJOCMSA-N	1	0	361.490	1.279	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)c2cc(C#N)c[nH]2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCF)C2	ZINC001105614994	842228651	/nfs/dbraw/zinc/22/86/51/842228651.db2.gz	NBYDCXUPQQVXEY-VXIBKDFQSA-N	1	0	362.449	1.826	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(F)nc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105615004	842228668	/nfs/dbraw/zinc/22/86/68/842228668.db2.gz	NERUUWSJMHUFQO-ZTRFORPCSA-N	1	0	359.445	1.824	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc[nH]c(=O)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105619614	842238438	/nfs/dbraw/zinc/23/84/38/842238438.db2.gz	OKCQULFZXQRFMF-HBXLWWENSA-N	1	0	357.454	1.390	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(=O)NCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105620177	842242213	/nfs/dbraw/zinc/24/22/13/842242213.db2.gz	XKQMCVSIAKPUGU-LTDCPUDJSA-N	1	0	351.491	1.055	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3(OC)CCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105626484	842256720	/nfs/dbraw/zinc/25/67/20/842256720.db2.gz	BIKHHSWSXZAVFH-LFGUQSLTSA-N	1	0	362.514	1.935	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3(OC)CCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105626483	842256804	/nfs/dbraw/zinc/25/68/04/842256804.db2.gz	BIKHHSWSXZAVFH-JYBIWHBTSA-N	1	0	362.514	1.935	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C#CC3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105626866	842258581	/nfs/dbraw/zinc/25/85/81/842258581.db2.gz	ITDGKCXNPGDBCU-RMVXJAJNSA-N	1	0	360.498	1.569	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncc[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105628962	842261926	/nfs/dbraw/zinc/26/19/26/842261926.db2.gz	ZOMPIJZRRXKSTI-JEWRLFTDSA-N	1	0	362.474	1.192	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3=CCCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105614296	842265524	/nfs/dbraw/zinc/26/55/24/842265524.db2.gz	GHSATDMTFXXZQV-WERVVEIQSA-N	1	0	360.498	1.713	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc4n3CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001105636861	842268921	/nfs/dbraw/zinc/26/89/21/842268921.db2.gz	FLJOQXBHYLQZQM-WELBPKCISA-N	1	0	370.497	1.432	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)ncn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637894	842274437	/nfs/dbraw/zinc/27/44/37/842274437.db2.gz	XEOLIHYEXQLVIE-CIWUYKSXSA-N	1	0	360.502	1.884	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cncs3)[C@H]2C(C)C)C[C@H]1O	ZINC001105637994	842275384	/nfs/dbraw/zinc/27/53/84/842275384.db2.gz	YOIGKERAMNEROP-FPAYPSAMSA-N	1	0	361.511	1.675	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCF)C2)[C@H]1C(C)C	ZINC001105633555	842282701	/nfs/dbraw/zinc/28/27/01/842282701.db2.gz	VDRYWIRIJQKYTL-RWQQGDIJSA-N	1	0	354.466	1.352	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105641928	842306673	/nfs/dbraw/zinc/30/66/73/842306673.db2.gz	FZZTVWBFDSVMBQ-FTEYMNFISA-N	1	0	356.470	1.388	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3ccon3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105642674	842308997	/nfs/dbraw/zinc/30/89/97/842308997.db2.gz	KYKLWAWTWYOKCY-LFGUQSLTSA-N	1	0	359.470	1.597	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cccc3ncnn32)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088712361	842309323	/nfs/dbraw/zinc/30/93/23/842309323.db2.gz	GQEDXATYFAQVNO-PBHICJAKSA-N	1	0	360.421	1.994	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(OC)nc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105642583	842316885	/nfs/dbraw/zinc/31/68/85/842316885.db2.gz	KNKHAMRJPCYGEW-PLOVASNDSA-N	1	0	371.481	1.693	20	30		FDEDRO
CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1	ZINC000477026156	842321608	/nfs/dbraw/zinc/32/16/08/842321608.db2.gz	GFUZFIKDEZXRIE-GOEBONIOSA-N	1	0	355.394	1.465	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@H]1C(C)C	ZINC001105646236	842405365	/nfs/dbraw/zinc/40/53/65/842405365.db2.gz	HZDPMXZHQQTAEM-MXHNKVEKSA-N	1	0	365.518	1.301	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CCOC)C3)[C@@H]2C(C)C)cc1	ZINC001105646375	842406721	/nfs/dbraw/zinc/40/67/21/842406721.db2.gz	JFBOBPIISYZPCT-JBPLPALLSA-N	1	0	370.493	1.894	20	30		FDEDRO
CCC1(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CC#CCOC)C3)[C@H]2C(C)C)CC1	ZINC001105654784	842475095	/nfs/dbraw/zinc/47/50/95/842475095.db2.gz	BQLGLLNQTUHRMZ-IKVWTGGYSA-N	1	0	362.514	1.793	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CCOC)C3)[C@@H]2C(C)C)C1	ZINC001105656784	842488425	/nfs/dbraw/zinc/48/84/25/842488425.db2.gz	TWPQTUNGNNGLKL-PDOICOKGSA-N	1	0	350.503	1.955	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3nccc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105656421	842493564	/nfs/dbraw/zinc/49/35/64/842493564.db2.gz	PUWKFWFCKRPVGB-IZBJGVDFSA-N	1	0	358.486	1.181	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3ccc(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105657334	842494208	/nfs/dbraw/zinc/49/42/08/842494208.db2.gz	YGIGJICEJLYIBV-JYBIWHBTSA-N	1	0	360.502	1.734	20	30		FDEDRO
COCCn1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)n1	ZINC001088734203	842657956	/nfs/dbraw/zinc/65/79/56/842657956.db2.gz	LYYRDSFKEDBIGR-QAPCUYQASA-N	1	0	367.453	1.794	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnc4ccccn4c3=O)[C@@H]2C1	ZINC001075956531	842716901	/nfs/dbraw/zinc/71/69/01/842716901.db2.gz	LSNDJNIERWKWST-DOTOQJQBSA-N	1	0	352.438	1.807	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc3nnnn3c2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088744224	842743225	/nfs/dbraw/zinc/74/32/25/842743225.db2.gz	MUCIIPZSUPJWOZ-DYVFJYSZSA-N	1	0	361.409	1.389	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1	ZINC000425783212	842781917	/nfs/dbraw/zinc/78/19/17/842781917.db2.gz	KMWCHVLPTPGTST-YOEHRIQHSA-N	1	0	361.442	1.273	20	30		FDEDRO
C#CCN(C(=O)NCC(=O)N(CC)c1ccccc1)C1CC[NH+](C)CC1	ZINC000924647989	842841383	/nfs/dbraw/zinc/84/13/83/842841383.db2.gz	IKTZSSAZBAPMST-UHFFFAOYSA-N	1	0	356.470	1.779	20	30		FDEDRO
N#CCN1CCC[C@H](CNC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)C1	ZINC000478315317	843686483	/nfs/dbraw/zinc/68/64/83/843686483.db2.gz	VNIOIOVBDWPNQG-WOJBJXKFSA-N	1	0	370.497	1.629	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3nnc[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667801	843703177	/nfs/dbraw/zinc/70/31/77/843703177.db2.gz	TYRIRENSLOASAK-OHDICMOHSA-N	1	0	361.490	1.280	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@]2(C)CCC(=O)NC2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088808708	844908172	/nfs/dbraw/zinc/90/81/72/844908172.db2.gz	PTYDEIXFRJRGFA-CFLQYTFWSA-N	1	0	354.454	1.554	20	30		FDEDRO
CC1(C)CC[N@H+](CCNC(=O)N2CCN(c3ncccc3C#N)CC2)C1	ZINC000898597422	844912079	/nfs/dbraw/zinc/91/20/79/844912079.db2.gz	GOYCTNHRDGTBGA-UHFFFAOYSA-N	1	0	356.474	1.517	20	30		FDEDRO
Cn1cc(C[NH2+]C[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1C#N	ZINC000480310707	845036685	/nfs/dbraw/zinc/03/66/85/845036685.db2.gz	NXWDGEARMWCKDF-ICSRJNTNSA-N	1	0	363.465	1.585	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NCC[NH2+]C2CCCCCC2)cc1C#N	ZINC000842181594	845372232	/nfs/dbraw/zinc/37/22/32/845372232.db2.gz	YSFZPYDTQHEIIT-UHFFFAOYSA-N	1	0	372.469	1.612	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCn3ccnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105673560	845402408	/nfs/dbraw/zinc/40/24/08/845402408.db2.gz	MYHJCBIHACEGFX-LFGUQSLTSA-N	1	0	358.486	1.263	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCOCCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105674402	845467023	/nfs/dbraw/zinc/46/70/23/845467023.db2.gz	WSKPZNCAXBHGGQ-LFGUQSLTSA-N	1	0	368.518	1.582	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCOCCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105674276	845473955	/nfs/dbraw/zinc/47/39/55/845473955.db2.gz	VIZXNYQFGBFKGN-LFGUQSLTSA-N	1	0	368.518	1.582	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCOC(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105674586	845505292	/nfs/dbraw/zinc/50/52/92/845505292.db2.gz	ZURHQFMRMFXHGL-HNBVOPMISA-N	1	0	350.503	1.791	20	30		FDEDRO
CN(C)c1ccc([C@H](CNC(=O)N2CCN(CCC#N)CC2)[NH+](C)C)cc1	ZINC000899099126	845793628	/nfs/dbraw/zinc/79/36/28/845793628.db2.gz	VVKOHFHEUDAYRV-IBGZPJMESA-N	1	0	372.517	1.596	20	30		FDEDRO
C[NH+](C)CCn1nccc1C(=O)NC1(c2ccc(C#N)cc2)CCOCC1	ZINC000913162771	861606861	/nfs/dbraw/zinc/60/68/61/861606861.db2.gz	RXPVFNFCHAQKMY-UHFFFAOYSA-N	1	0	367.453	1.752	20	30		FDEDRO
C#CC[C@H]1NC(=O)N(Cc2ccc(CN3CC[NH+](CC)CC3)cc2)C1=O	ZINC000842235830	845837740	/nfs/dbraw/zinc/83/77/40/845837740.db2.gz	JZCVFEICPBMSLK-GOSISDBHSA-N	1	0	354.454	1.268	20	30		FDEDRO
Cn1ncc(CCC(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)n1	ZINC001076251793	847698613	/nfs/dbraw/zinc/69/86/13/847698613.db2.gz	XAQAEFUBRIUQMX-PKOBYXMFSA-N	1	0	364.453	1.352	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)CCc4cn[nH]n4)[C@@H]3C2)c1	ZINC001076262715	847719733	/nfs/dbraw/zinc/71/97/33/847719733.db2.gz	RYVOZSQRTXLMHD-FUHWJXTLSA-N	1	0	350.426	1.342	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](CCO[C@H]4CC4(F)F)C[C@H]32)nn1	ZINC001076336446	847884694	/nfs/dbraw/zinc/88/46/94/847884694.db2.gz	YBACMULNJMVRBR-CFVMTHIKSA-N	1	0	367.400	1.035	20	30		FDEDRO
COc1cncc(C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)n1	ZINC001076327029	847888025	/nfs/dbraw/zinc/88/80/25/847888025.db2.gz	FSNXKMWOIOGKEC-FUHWJXTLSA-N	1	0	363.421	1.703	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cn4nc(C)cc4[nH]c3=O)[C@@H]2C1	ZINC001076360627	847954613	/nfs/dbraw/zinc/95/46/13/847954613.db2.gz	GGXGPXUWIREUTK-GOEBONIOSA-N	1	0	355.442	1.444	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4cc(C(N)=O)c[nH]4)[C@@H]3C2)c1	ZINC001076406621	848047420	/nfs/dbraw/zinc/04/74/20/848047420.db2.gz	UZENWQBVNMSOHJ-MAUKXSAKSA-N	1	0	363.421	1.332	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4c[nH]nc4C4CC4)[C@@H]3C2)C1=O	ZINC001076420699	848098646	/nfs/dbraw/zinc/09/86/46/848098646.db2.gz	BZXVJIJWNXLOKU-BHYGNILZSA-N	1	0	369.469	1.220	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4ccccc4F)[C@@H]3C2)C1=O	ZINC001076525077	848340321	/nfs/dbraw/zinc/34/03/21/848340321.db2.gz	VBJIPXFFVCUOHG-YTQUADARSA-N	1	0	371.456	1.688	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2CC[C@H]3C[N@@H+]([C@H](C)C(=O)NC)C[C@H]32)cc1	ZINC001076617282	848584820	/nfs/dbraw/zinc/58/48/20/848584820.db2.gz	URSFLGCSAWCLHY-HHXXYDBFSA-N	1	0	371.481	1.461	20	30		FDEDRO
C[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21)N1CCOCC1	ZINC001076644440	848644712	/nfs/dbraw/zinc/64/47/12/848644712.db2.gz	NEHJFYAQMRSTGE-FFZOFVMBSA-N	1	0	368.481	1.312	20	30		FDEDRO
O=C(NCC[NH2+]CC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126938883	848672699	/nfs/dbraw/zinc/67/26/99/848672699.db2.gz	LDXJTYTYLIDMPN-ZIAGYGMSSA-N	1	0	355.316	1.428	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C	ZINC001076706204	848812377	/nfs/dbraw/zinc/81/23/77/848812377.db2.gz	VWOTWFJCIUUCIN-XSLAGTTESA-N	1	0	367.534	1.955	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)C[C@H]2O)c[nH]1	ZINC001076907696	849302363	/nfs/dbraw/zinc/30/23/63/849302363.db2.gz	ZCIKEUIHBGYYAE-RTBURBONSA-N	1	0	350.422	1.739	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(C)cc(C)c2)C[C@H]1O	ZINC001077017610	849549723	/nfs/dbraw/zinc/54/97/23/849549723.db2.gz	JDIFZRCICATXJI-WTGUMLROSA-N	1	0	358.482	1.946	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1O	ZINC001077131818	849858811	/nfs/dbraw/zinc/85/88/11/849858811.db2.gz	LWHDSRMCNQUQAC-XUVXKRRUSA-N	1	0	370.497	1.482	20	30		FDEDRO
COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC34CC4)C2)cc1C#N	ZINC001077223685	850114549	/nfs/dbraw/zinc/11/45/49/850114549.db2.gz	LPLCQJLOLITISR-KZNAEPCWSA-N	1	0	369.465	1.808	20	30		FDEDRO
C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1	ZINC001077310940	850508131	/nfs/dbraw/zinc/50/81/31/850508131.db2.gz	IWAADRLICOBTRC-ZIAGYGMSSA-N	1	0	365.231	1.018	20	30		FDEDRO
CN(Cc1ccccc1)C(=O)Cc1noc(C2CC3(C2)C[NH2+]C[C@H]3C#N)n1	ZINC000904112403	850965335	/nfs/dbraw/zinc/96/53/35/850965335.db2.gz	GESDLONDVVANFJ-LFDOHDQPSA-N	1	0	365.437	1.877	20	30		FDEDRO
CCO[C@H]1COCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000484638141	851001714	/nfs/dbraw/zinc/00/17/14/851001714.db2.gz	JYOUVNLNWKXKHY-IRXDYDNUSA-N	1	0	369.425	1.466	20	30		FDEDRO
CCO[C@@H]1COCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000484638139	851002453	/nfs/dbraw/zinc/00/24/53/851002453.db2.gz	JYOUVNLNWKXKHY-IAGOWNOFSA-N	1	0	369.425	1.466	20	30		FDEDRO
C=CCn1c(Cc2noc([C@@H]3CC[NH2+][C@H](C)C3)n2)nnc1N1CCOCC1	ZINC000904667705	851341156	/nfs/dbraw/zinc/34/11/56/851341156.db2.gz	YTKRAZVTXVVRFE-ZIAGYGMSSA-N	1	0	373.461	1.130	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCC(C(C)(C)C[NH3+])CC1)c1cccc(C#N)c1	ZINC000904967966	851526382	/nfs/dbraw/zinc/52/63/82/851526382.db2.gz	BICDABRQZWYNKA-CQSZACIVSA-N	1	0	356.470	1.959	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1	ZINC000904961141	851555605	/nfs/dbraw/zinc/55/56/05/851555605.db2.gz	RPPSTSRELUJUQY-UHFFFAOYSA-N	1	0	360.483	1.569	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH2+]C[C@H](O)CC3(O)CCCC3)C2=O)cc1	ZINC000905204504	851747577	/nfs/dbraw/zinc/74/75/77/851747577.db2.gz	VSMUPSSLGIQYPO-MSOLQXFVSA-N	1	0	357.454	1.699	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1cccnc1-n1cc(Br)cn1	ZINC000913523413	862288312	/nfs/dbraw/zinc/28/83/12/862288312.db2.gz	ZFFWDNJUPIMIJO-UHFFFAOYSA-N	1	0	362.231	1.325	20	30		FDEDRO
COC[C@@]1(C(=O)NCC#CC[NH+](C)C)CCCN1C(=O)OC(C)(C)C	ZINC000913523535	862289468	/nfs/dbraw/zinc/28/94/68/862289468.db2.gz	DNYGBIQOZMVTRV-GOSISDBHSA-N	1	0	353.463	1.084	20	30		FDEDRO
CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)NCC#CC[NH+](C)C	ZINC000913515304	862294687	/nfs/dbraw/zinc/29/46/87/862294687.db2.gz	RANHGPOZCCZYPP-KRWDZBQOSA-N	1	0	361.511	1.528	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NCCCC(=O)NCC#CC[NH+](C)C)cc1C	ZINC000913515147	862295556	/nfs/dbraw/zinc/29/55/56/862295556.db2.gz	KWJWRTCYGRTSJX-UHFFFAOYSA-N	1	0	365.499	1.043	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]CC[C@H]2CCCS2(=O)=O)cc1	ZINC000905433227	851938343	/nfs/dbraw/zinc/93/83/43/851938343.db2.gz	XBMRDPCKKDMRQO-DOTOQJQBSA-N	1	0	352.456	1.049	20	30		FDEDRO
Cc1sc(=O)n(CC(=O)NCC#CC[NH+](C)C)c1-c1ccc(F)cc1	ZINC000913517255	862301630	/nfs/dbraw/zinc/30/16/30/862301630.db2.gz	ZXENJAQURUPOPZ-UHFFFAOYSA-N	1	0	361.442	1.706	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]CC2(C3(O)CCOCC3)CC2)c1	ZINC000905554265	852028199	/nfs/dbraw/zinc/02/81/99/852028199.db2.gz	VZGDNDFIDPSWDK-UHFFFAOYSA-N	1	0	364.467	1.243	20	30		FDEDRO
CC[C@H](CN1CCOCC1)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1	ZINC000905553186	852056349	/nfs/dbraw/zinc/05/63/49/852056349.db2.gz	RWUMVUOYTRPOTQ-MRXNPFEDSA-N	1	0	351.472	1.032	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1	ZINC000905636259	852105751	/nfs/dbraw/zinc/10/57/51/852105751.db2.gz	GNTLNOBCCSMQOH-SBHAEUEKSA-N	1	0	352.434	1.980	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C	ZINC000905688823	852147421	/nfs/dbraw/zinc/14/74/21/852147421.db2.gz	ICEIXGQIUQTQSL-ZJIFWQFVSA-N	1	0	352.479	1.323	20	30		FDEDRO
C[C@]1([C@@H]2CCCN(Cn3cc4c(c(C#N)c3=O)CCCC4)C2)COC(=O)N1	ZINC000905700454	852180722	/nfs/dbraw/zinc/18/07/22/852180722.db2.gz	HMBWQVRYWAAHDI-FOIQADDNSA-N	1	0	370.453	1.767	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@H]2COC[C@H]2C1)C(C)C	ZINC000668531674	852736969	/nfs/dbraw/zinc/73/69/69/852736969.db2.gz	JNIAQVCMTSSIHC-RCCFBDPRSA-N	1	0	363.502	1.296	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000906713229	853202456	/nfs/dbraw/zinc/20/24/56/853202456.db2.gz	UNLSJNOQZXUMEY-IBGZPJMESA-N	1	0	370.497	1.240	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)ccc1Br	ZINC000906728222	853227133	/nfs/dbraw/zinc/22/71/33/853227133.db2.gz	XEZJNQZGBRITSH-CYZMBNFOSA-N	1	0	363.215	1.268	20	30		FDEDRO
C=C(C)COc1cccc(NC(=O)C(=O)N2CC[NH2+]C[C@H]2CCOC)c1	ZINC000906747691	853255357	/nfs/dbraw/zinc/25/53/57/853255357.db2.gz	LDXYUDKXFWDBGT-MRXNPFEDSA-N	1	0	361.442	1.417	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)c1	ZINC000906764628	853282811	/nfs/dbraw/zinc/28/28/11/853282811.db2.gz	FKTBDYJBBFUIGH-QGZVFWFLSA-N	1	0	364.352	1.453	20	30		FDEDRO
C#Cc1ccc(S(=O)(=O)NCc2cccnc2N2CC[NH+](C)CC2)cc1	ZINC000906875765	853426472	/nfs/dbraw/zinc/42/64/72/853426472.db2.gz	WADDNTVKENSXRH-UHFFFAOYSA-N	1	0	370.478	1.293	20	30		FDEDRO
C#Cc1ccc(S(=O)(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)cc1	ZINC000906927876	853521142	/nfs/dbraw/zinc/52/11/42/853521142.db2.gz	GOWYVZAFVIIDJW-UHFFFAOYSA-N	1	0	350.484	1.836	20	30		FDEDRO
C=CCC[C@@H](C)[NH+]1CC(OC2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1	ZINC001105713505	862521282	/nfs/dbraw/zinc/52/12/82/862521282.db2.gz	HPVNMGKOWPEMHC-GJYPPUQNSA-N	1	0	366.502	1.837	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1	ZINC000907409898	854162974	/nfs/dbraw/zinc/16/29/74/854162974.db2.gz	ZRPKNWVZAVPQST-GOSISDBHSA-N	1	0	359.470	1.081	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC2)c1C#N	ZINC000907664197	854481333	/nfs/dbraw/zinc/48/13/33/854481333.db2.gz	OPPIEXGSMHHGCO-RDJZCZTQSA-N	1	0	356.474	1.266	20	30		FDEDRO
O=C(NO)c1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1	ZINC000907817149	854684353	/nfs/dbraw/zinc/68/43/53/854684353.db2.gz	FSAPWJLSFUPLRE-GOSISDBHSA-N	1	0	368.437	1.729	20	30		FDEDRO
CCCC[N@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000486516878	854730483	/nfs/dbraw/zinc/73/04/83/854730483.db2.gz	JHJXIVGJPSVWQS-SFHVURJKSA-N	1	0	371.485	1.690	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c(F)c1	ZINC000908005635	854892869	/nfs/dbraw/zinc/89/28/69/854892869.db2.gz	CYXNLJNNDANMKB-IRXDYDNUSA-N	1	0	367.446	1.058	20	30		FDEDRO
Cc1nc2c(n1CCO)CC[C@H](NC(=O)Cc1c(C)cc(C#N)cc1C)C2	ZINC000908114517	855040779	/nfs/dbraw/zinc/04/07/79/855040779.db2.gz	HJEBMNPTMXASPA-KRWDZBQOSA-N	1	0	366.465	1.889	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N[C@]12CCC[C@H]1[N@H+](Cc1ccc(C#N)cc1)CC2	ZINC000991120525	855141957	/nfs/dbraw/zinc/14/19/57/855141957.db2.gz	RAEUDGGKMNARGY-FCBIJRMHSA-N	1	0	369.465	1.975	20	30		FDEDRO
C=CCn1c(CC2CC2)nnc1N1CCC(C(N)=O)([NH+]2CCCCC2)CC1	ZINC000908666856	855668847	/nfs/dbraw/zinc/66/88/47/855668847.db2.gz	ITRVFUYCKMNCMR-UHFFFAOYSA-N	1	0	372.517	1.727	20	30		FDEDRO
Cc1cc(=O)oc(C)c1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O	ZINC001083624268	856017444	/nfs/dbraw/zinc/01/74/44/856017444.db2.gz	ZBUBQOPFBLPVJX-SJORKVTESA-N	1	0	367.405	1.103	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCc3ccccc32)C[C@H]1OC	ZINC001212152097	862779095	/nfs/dbraw/zinc/77/90/95/862779095.db2.gz	IUMLAMDOCDZGRI-GUDVDZBRSA-N	1	0	369.465	1.019	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000487806322	856745313	/nfs/dbraw/zinc/74/53/13/856745313.db2.gz	XMJORFXNCWZMKK-SQNIBIBYSA-N	1	0	364.534	1.332	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)Cc2cc(C#N)cs2)[C@H](C)C1	ZINC000910665554	857481590	/nfs/dbraw/zinc/48/15/90/857481590.db2.gz	SCSGBDFSBKSWHW-CZUORRHYSA-N	1	0	362.499	1.767	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCOC(C3CC3)(C3CC3)C2)CC1	ZINC000668835441	857509570	/nfs/dbraw/zinc/50/95/70/857509570.db2.gz	AJMBUPWCUDKXPS-UHFFFAOYSA-N	1	0	361.486	1.171	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2cc(COC)cs2)CC1	ZINC000668836454	857519157	/nfs/dbraw/zinc/51/91/57/857519157.db2.gz	ZCGBSTSRHRSSNM-UHFFFAOYSA-N	1	0	351.472	1.277	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCOc3ccccc3[C@H]2C)CC1	ZINC000668835934	857529472	/nfs/dbraw/zinc/52/94/72/857529472.db2.gz	MOFZJMFDOUFIIO-OAHLLOKOSA-N	1	0	357.454	1.735	20	30		FDEDRO
CCC1([NH+](C)C)CCN(C(=O)C(=O)N(C)Cc2cc(C#N)cs2)CC1	ZINC000910761778	857617778	/nfs/dbraw/zinc/61/77/78/857617778.db2.gz	MNPWYLQJMDEODQ-UHFFFAOYSA-N	1	0	362.499	1.911	20	30		FDEDRO
C=CCCC1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CCCC1	ZINC000668843578	857732612	/nfs/dbraw/zinc/73/26/12/857732612.db2.gz	UNWWXHOPLODJOP-MRXNPFEDSA-N	1	0	351.491	1.466	20	30		FDEDRO
CC(C)[N@H+](CCO)CC1CCN(C(=O)COc2ccc(C#N)cc2)CC1	ZINC000910850571	857768264	/nfs/dbraw/zinc/76/82/64/857768264.db2.gz	FECKTQDNYXSWRU-UHFFFAOYSA-N	1	0	359.470	1.878	20	30		FDEDRO
C[C@@H]1CCCN(C(=O)C(=O)N(c2ccc(C#N)cn2)[C@@H]2CCC[NH2+]C2)C1	ZINC000910858373	857787819	/nfs/dbraw/zinc/78/78/19/857787819.db2.gz	NFTMWVPSBIRJNU-GDBMZVCRSA-N	1	0	355.442	1.297	20	30		FDEDRO
Cc1c(C(=O)N2CCC(C[N@@H+](CCO)C(C)C)CC2)cnn1CCC#N	ZINC000910861418	857792696	/nfs/dbraw/zinc/79/26/96/857792696.db2.gz	QCDJXWJUYMRNGT-UHFFFAOYSA-N	1	0	361.490	1.660	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCCCC1CC[NH2+]CC1	ZINC000910951517	857923068	/nfs/dbraw/zinc/92/30/68/857923068.db2.gz	COTUDHQRUGNYGP-ROUUACIJSA-N	1	0	365.518	1.760	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1)c1ccncc1	ZINC000911000071	858015402	/nfs/dbraw/zinc/01/54/02/858015402.db2.gz	BRJGARSKHQQLIR-IAGOWNOFSA-N	1	0	372.469	1.171	20	30		FDEDRO
C=CCC[C@@H](NC(=O)C(=O)NCCN1CCC([NH3+])CC1)c1ccccc1	ZINC000911230115	858377831	/nfs/dbraw/zinc/37/78/31/858377831.db2.gz	OFOWPDYOTJAFLX-GOSISDBHSA-N	1	0	358.486	1.349	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1	ZINC000911311095	858478637	/nfs/dbraw/zinc/47/86/37/858478637.db2.gz	AERAXXAYZWIKLJ-KGLIPLIRSA-N	1	0	368.359	1.107	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)c1	ZINC000911402375	858588576	/nfs/dbraw/zinc/58/85/76/858588576.db2.gz	FWFVKARHFBHHFF-LJQANCHMSA-N	1	0	358.417	1.306	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)cc1C#N	ZINC000911435817	858617598	/nfs/dbraw/zinc/61/75/98/858617598.db2.gz	PNHPTWAGNWQYOX-HXUWFJFHSA-N	1	0	356.470	1.706	20	30		FDEDRO
CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000911528804	858703898	/nfs/dbraw/zinc/70/38/98/858703898.db2.gz	RYWCCTKASMDWJX-QGZVFWFLSA-N	1	0	370.453	1.042	20	30		FDEDRO
CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000911519941	858733241	/nfs/dbraw/zinc/73/32/41/858733241.db2.gz	DVPJSEGKLITHQC-KRWDZBQOSA-N	1	0	370.453	1.042	20	30		FDEDRO
CC(C)[NH+]1CCN(CCC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)CC1	ZINC000911870547	859057600	/nfs/dbraw/zinc/05/76/00/859057600.db2.gz	JWMKOBUMKPDGEC-LJQANCHMSA-N	1	0	358.486	1.466	20	30		FDEDRO
C=CCCC[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000911973998	859196919	/nfs/dbraw/zinc/19/69/19/859196919.db2.gz	RIKXDSRSRWHSCL-INIZCTEOSA-N	1	0	351.472	1.203	20	30		FDEDRO
CC(=O)N1CCN(CCNC(NCc2cccs2)=[NH+]C(C)(C)C)CC1	ZINC000912507151	859831552	/nfs/dbraw/zinc/83/15/52/859831552.db2.gz	VXRWVLUKPYZIFX-UHFFFAOYSA-N	1	0	365.547	1.746	20	30		FDEDRO
CC(C)C[NH2+]C1(CO)CCN(C(=O)Cc2ccc(OCC#N)cc2)CC1	ZINC000912587529	859918335	/nfs/dbraw/zinc/91/83/35/859918335.db2.gz	ARGZXQYZRXEPIP-UHFFFAOYSA-N	1	0	359.470	1.731	20	30		FDEDRO
O=C(NC[C@@H]1CCCN(C(=O)NCC#Cc2ccccc2)C1)[C@H]1CCC[NH2+]1	ZINC000668994443	860031655	/nfs/dbraw/zinc/03/16/55/860031655.db2.gz	BJWFDMWSJZPKIZ-RBUKOAKNSA-N	1	0	368.481	1.328	20	30		FDEDRO
CN1c2ccccc2N(C)C1=C1C(=N)N(C[C@H](C2CC2)[NH+](C)C)CC1=O	ZINC000153983343	881606667	/nfs/dbraw/zinc/60/66/67/881606667.db2.gz	YDVBPHZERMAFKX-MRXNPFEDSA-N	1	0	353.470	1.986	20	30		FDEDRO
C[NH+](C)CCn1cc(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)cn1	ZINC000912927039	861081422	/nfs/dbraw/zinc/08/14/22/861081422.db2.gz	UPYVYGGYOBCVHM-UHFFFAOYSA-N	1	0	352.442	1.731	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC=CCC2)C[C@H]1C	ZINC001105814305	863348045	/nfs/dbraw/zinc/34/80/45/863348045.db2.gz	FKBQNBYTYVTAJQ-KZNAEPCWSA-N	1	0	360.502	1.789	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC(C)(C)C)C[C@H]1C	ZINC001105827982	863382202	/nfs/dbraw/zinc/38/22/02/863382202.db2.gz	ATEBDRILJWTLQX-ZIAGYGMSSA-N	1	0	352.479	1.119	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(Cl)o2)C[C@H]1C	ZINC001105825090	863390189	/nfs/dbraw/zinc/39/01/89/863390189.db2.gz	RLIDGMISDULXAN-JHJVBQTASA-N	1	0	353.850	1.921	20	30		FDEDRO
N#CCSCC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@H]1CCNC(=O)CC1)C2	ZINC001111600459	863643816	/nfs/dbraw/zinc/64/38/16/863643816.db2.gz	UDEFWLJVKFRVHR-VKJFTORMSA-N	1	0	364.515	1.130	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1	ZINC000761027597	863794039	/nfs/dbraw/zinc/79/40/39/863794039.db2.gz	ZCXKQBCHOVGPHT-KBPBESRZSA-N	1	0	360.389	1.410	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCC)[C@H](C)C1	ZINC001105914856	863971994	/nfs/dbraw/zinc/97/19/94/863971994.db2.gz	HPQFBEJMDKQXAF-BRWVUGGUSA-N	1	0	353.507	1.568	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)(C)CC)[C@H](C)C1	ZINC001105915241	863973742	/nfs/dbraw/zinc/97/37/42/863973742.db2.gz	XTVCLBQBYKCSAR-IXDOHACOSA-N	1	0	367.534	1.957	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)[C@H](C)C1	ZINC001105923232	864029784	/nfs/dbraw/zinc/02/97/84/864029784.db2.gz	RFRGKLIKUCBITG-INMHGKMJSA-N	1	0	359.474	1.176	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cccc(F)c2)[C@H](C)C1	ZINC001105937792	864130211	/nfs/dbraw/zinc/13/02/11/864130211.db2.gz	FYKJTOOGFJKBAQ-HUUCEWRRSA-N	1	0	363.433	1.651	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)c2cc(F)ccc2F)[C@H](C)C1	ZINC001105937664	864130473	/nfs/dbraw/zinc/13/04/73/864130473.db2.gz	DTACTPQSPKESAG-LBTNJELSSA-N	1	0	368.424	1.885	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)Cc2ccccc2)[C@H](C)C1	ZINC001105946192	864189005	/nfs/dbraw/zinc/18/90/05/864189005.db2.gz	NFHKQFFXUOMSPP-JFIYKMOQSA-N	1	0	356.470	1.489	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)CSC)C[C@H]1C	ZINC001105946524	864190442	/nfs/dbraw/zinc/19/04/42/864190442.db2.gz	WVZXRXAEJMNVJM-OWCLPIDISA-N	1	0	368.547	1.432	20	30		FDEDRO
Cc1ccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)cc1F	ZINC001105951327	864208980	/nfs/dbraw/zinc/20/89/80/864208980.db2.gz	BNXIVKBTGUGJBC-RRFJBIMHSA-N	1	0	360.433	1.916	20	30		FDEDRO
CCN(C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C)c1ccccc1	ZINC001105951342	864210290	/nfs/dbraw/zinc/21/02/90/864210290.db2.gz	CICBCCZKRWKXJM-BRWVUGGUSA-N	1	0	356.470	1.883	20	30		FDEDRO
CCN(Cc1ccccc1)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C	ZINC001105951568	864210389	/nfs/dbraw/zinc/21/03/89/864210389.db2.gz	HENFJFROZIMPBK-YQVWRLOYSA-N	1	0	370.497	1.879	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cc(F)cc(F)c2)[C@H](C)C1	ZINC001105951783	864211334	/nfs/dbraw/zinc/21/13/34/864211334.db2.gz	LFPUPLTVOAJORV-YNEHKIRRSA-N	1	0	364.396	1.747	20	30		FDEDRO
Cc1cccc(CNC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)c1	ZINC001105952499	864212710	/nfs/dbraw/zinc/21/27/10/864212710.db2.gz	ZTBQDIAFVXTBDE-JFIYKMOQSA-N	1	0	356.470	1.455	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCc3ccccc32)[C@H](C)C1	ZINC001105952471	864213211	/nfs/dbraw/zinc/21/32/11/864213211.db2.gz	YVQLZYIPBQPYFX-BFYDXBDKSA-N	1	0	354.454	1.419	20	30		FDEDRO
CC(C)CN(CC(C)C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C	ZINC001105952462	864213228	/nfs/dbraw/zinc/21/32/28/864213228.db2.gz	YONNOLSJGNJBEK-KZNAEPCWSA-N	1	0	364.534	1.971	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H](n2ccnc2)C1	ZINC000761158668	864250023	/nfs/dbraw/zinc/25/00/23/864250023.db2.gz	YKLMDCOWISJSLY-CQSZACIVSA-N	1	0	371.372	1.727	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1	ZINC001168409443	864290312	/nfs/dbraw/zinc/29/03/12/864290312.db2.gz	LFBHBXBOWYLJLD-ZWKOTPCHSA-N	1	0	371.456	1.555	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NCCCC)[C@H](C)C1	ZINC001105984418	864341654	/nfs/dbraw/zinc/34/16/54/864341654.db2.gz	IYJYVRYWENQBDL-KZNAEPCWSA-N	1	0	367.534	1.958	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CCC(F)(F)F)C[C@H]2C)C1=O	ZINC001105984745	864343325	/nfs/dbraw/zinc/34/33/25/864343325.db2.gz	XJXBIPYKYBSCKU-MCIONIFRSA-N	1	0	361.408	1.800	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106005499	864567460	/nfs/dbraw/zinc/56/74/60/864567460.db2.gz	TYSPQEMJNGDRHZ-BHIYHBOVSA-N	1	0	353.466	1.248	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2COC(=O)C2)C[C@H]1C	ZINC001106008996	864609744	/nfs/dbraw/zinc/60/97/44/864609744.db2.gz	HOJFZDMQSPXYIU-RAIGVLPGSA-N	1	0	359.264	1.532	20	30		FDEDRO
C=CCN1C(=O)N([C@@H]2CC[N@@H+](CCOC)C2)C(=O)[C@@H]1Cc1ccccc1	ZINC000761256202	864647011	/nfs/dbraw/zinc/64/70/11/864647011.db2.gz	MKMATKVOHWMINB-MSOLQXFVSA-N	1	0	357.454	1.769	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]CC(=O)N1CCCCC1	ZINC001106017905	864657589	/nfs/dbraw/zinc/65/75/89/864657589.db2.gz	YXUYQFNNCUKOIY-HUUCEWRRSA-N	1	0	357.458	1.197	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]C[C@@H](O)Cc1ccccc1	ZINC001106025640	864813950	/nfs/dbraw/zinc/81/39/50/864813950.db2.gz	APIUXILBLPQLKY-ZTNFWEORSA-N	1	0	366.465	1.788	20	30		FDEDRO
C=C(Br)CN1CC[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)[C@H]1C	ZINC001088861127	864823479	/nfs/dbraw/zinc/82/34/79/864823479.db2.gz	QZZYYRFTKSZSSM-XQHKEYJVSA-N	1	0	358.280	1.198	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]CCc2ccc(OC)cc2)[C@H](C)C1	ZINC001106034289	864911432	/nfs/dbraw/zinc/91/14/32/864911432.db2.gz	AZGCBLQKZITTEE-SJLPKXTDSA-N	1	0	371.481	1.061	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]CCc2ccc(CC)cc2)[C@H](C)C1	ZINC001106034520	864912770	/nfs/dbraw/zinc/91/27/70/864912770.db2.gz	GJAULHGXHHFLTO-YLJYHZDGSA-N	1	0	369.509	1.615	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2cccc(C)c2)[C@H](C)C1	ZINC001106034794	864914931	/nfs/dbraw/zinc/91/49/31/864914931.db2.gz	MITZGOIUKNHFOG-ZIFCJYIRSA-N	1	0	355.482	1.880	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCC(C)(C)C)[C@H](C)C1	ZINC001106059000	865067699	/nfs/dbraw/zinc/06/76/99/865067699.db2.gz	MLBNHYYDQLIXNF-QINHECLXSA-N	1	0	367.534	1.550	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nc(C3CCC3)no2)[C@H](C)C1	ZINC001106065136	865105212	/nfs/dbraw/zinc/10/52/12/865105212.db2.gz	QTODMVWIZBBNMB-ZXYWRSMDSA-N	1	0	362.474	1.848	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2cn(C(C)(C)C)nn2)[C@H](C)C1	ZINC001106064728	865109398	/nfs/dbraw/zinc/10/93/98/865109398.db2.gz	GABIWUNHYXYKNA-SPYBWZPUSA-N	1	0	363.506	1.544	20	30		FDEDRO
C[C@H]1CN(C(=O)CON=C(N)c2ccccc2C[NH+]2CCCCC2)CCO1	ZINC000171233624	865162204	/nfs/dbraw/zinc/16/22/04/865162204.db2.gz	JWXBIFXMUHWWNG-INIZCTEOSA-N	1	0	374.485	1.557	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3ccsc3C)[C@H]2C)C1=O	ZINC001088900926	865319328	/nfs/dbraw/zinc/31/93/28/865319328.db2.gz	LUJSKJHPMFMCPY-COXVUDFISA-N	1	0	361.511	1.965	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCCC(C)(C)C2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106875039	881863432	/nfs/dbraw/zinc/86/34/32/881863432.db2.gz	DRPXFPXRZSTXQL-BRWVUGGUSA-N	1	0	362.518	1.917	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COc2ccsc2)C[C@H]1C	ZINC001106878576	881869637	/nfs/dbraw/zinc/86/96/37/881869637.db2.gz	SBDBEIGGZZGAND-ZIAGYGMSSA-N	1	0	351.472	1.113	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)C(C)(C)C)C[C@H]1C	ZINC001106877035	881881774	/nfs/dbraw/zinc/88/17/74/881881774.db2.gz	JKIDDGVUJGCLFE-HUUCEWRRSA-N	1	0	360.520	1.086	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)cc1	ZINC000763395534	881887688	/nfs/dbraw/zinc/88/76/88/881887688.db2.gz	FZEDJOHAECVXKX-OAHLLOKOSA-N	1	0	355.360	1.982	20	30		FDEDRO
C[NH+](C)C[C@@H]1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000172507469	865653647	/nfs/dbraw/zinc/65/36/47/865653647.db2.gz	VKSYENQKHFNXNL-KRWDZBQOSA-N	1	0	355.442	1.163	20	30		FDEDRO
CCCN(Cn1c(C)nnc1-c1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1	ZINC000172607021	865722052	/nfs/dbraw/zinc/72/20/52/865722052.db2.gz	FTWBOIJTMSMWRE-KRWDZBQOSA-N	1	0	373.482	1.982	20	30		FDEDRO
C[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2cccc(C#N)c2)C1	ZINC001098180714	865884662	/nfs/dbraw/zinc/88/46/62/865884662.db2.gz	LQXYZUNVGHXIHU-PIKADFDJSA-N	1	0	366.465	1.648	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)C[C@H]1OC	ZINC001212193495	865972657	/nfs/dbraw/zinc/97/26/57/865972657.db2.gz	GIVMCUXWMBTOLB-SBHAEUEKSA-N	1	0	369.465	1.877	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(C)c2)C[C@H]1OC	ZINC001212194554	866153060	/nfs/dbraw/zinc/15/30/60/866153060.db2.gz	URGDPOQQPPDMNP-POAQFYNOSA-N	1	0	362.470	1.646	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C(F)F)C[C@H]1C	ZINC001106083698	866233656	/nfs/dbraw/zinc/23/36/56/866233656.db2.gz	YHHMEHGGAAJVEG-KBXIAJHMSA-N	1	0	370.444	1.334	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3cc(OC)no3)[C@@H]2C)CC1	ZINC001089059218	866384878	/nfs/dbraw/zinc/38/48/78/866384878.db2.gz	DXFNITBVHKJPLI-PBHICJAKSA-N	1	0	360.458	1.107	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)[nH]1	ZINC000992038812	867378391	/nfs/dbraw/zinc/37/83/91/867378391.db2.gz	ORVOJMVTLSSKQG-CCAROEGRSA-N	1	0	352.398	1.038	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)/C=C(\C)CC)C[C@H]1C	ZINC001106094361	867981947	/nfs/dbraw/zinc/98/19/47/867981947.db2.gz	UDBDZQKVKIMOSC-ISJXMTRFSA-N	1	0	350.463	1.039	20	30		FDEDRO
COCc1ccccc1CNC(=O)CON=C(N)C[N@@H+]1CCCC[C@H]1C	ZINC000151535678	868006736	/nfs/dbraw/zinc/00/67/36/868006736.db2.gz	FUXHPCOFHXPMFT-OAHLLOKOSA-N	1	0	362.474	1.612	20	30		FDEDRO
COc1cc(CNC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)ccc1C#N	ZINC000462479554	868008436	/nfs/dbraw/zinc/00/84/36/868008436.db2.gz	MFODTWRQPCOSKQ-UHFFFAOYSA-N	1	0	373.501	1.782	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)/C=C(\C)CC)C[C@H]1C	ZINC001106097716	868028566	/nfs/dbraw/zinc/02/85/66/868028566.db2.gz	CCFUVLOMOGDGRH-KDUGFSLASA-N	1	0	364.490	1.427	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)Nc2nccs2)[C@H](C)C1	ZINC001106099206	868057234	/nfs/dbraw/zinc/05/72/34/868057234.db2.gz	CRJARAQCOJIDBZ-QLFBSQMISA-N	1	0	362.499	1.814	20	30		FDEDRO
Cc1n[nH]c(C)c1NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1C	ZINC001106105589	868141262	/nfs/dbraw/zinc/14/12/62/868141262.db2.gz	YXBHUMSVVFGTGT-CZUORRHYSA-N	1	0	359.474	1.309	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@H]1[N@H+](CC(=O)N(C)C1CC1)CC2	ZINC000992179770	868183046	/nfs/dbraw/zinc/18/30/46/868183046.db2.gz	NQQXSVBKDLSGDL-AXVVYFOYSA-N	1	0	361.486	1.312	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCC(C)(C)C)[C@H](C)C1	ZINC001106110784	868380846	/nfs/dbraw/zinc/38/08/46/868380846.db2.gz	DQGOOXIRTLTYQM-IXDOHACOSA-N	1	0	365.518	1.261	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C(C)C)n(C)n2)C[C@H]1C	ZINC001106111363	868388298	/nfs/dbraw/zinc/38/82/98/868388298.db2.gz	GNHGCJCGLMEKCO-HUUCEWRRSA-N	1	0	361.490	1.143	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CC(C)C)[C@H](C)C1	ZINC001106111261	868388497	/nfs/dbraw/zinc/38/84/97/868388497.db2.gz	KMXXSTOURGNIKT-BRWVUGGUSA-N	1	0	361.490	1.157	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nccn2C(F)F)[C@H](C)C1	ZINC001106111276	868388720	/nfs/dbraw/zinc/38/87/20/868388720.db2.gz	KUQNAIQPZHMAKU-MGPQQGTHSA-N	1	0	354.401	1.501	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)c(C#N)c2)[C@H](C)C1	ZINC001106111449	868390050	/nfs/dbraw/zinc/39/00/50/868390050.db2.gz	MRERFSOCIZOVSJ-IIDMSEBBSA-N	1	0	357.429	1.920	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccccc2)[C@H](C)C1	ZINC001106111972	868395126	/nfs/dbraw/zinc/39/51/26/868395126.db2.gz	UKZRYTBPBISIHT-IXDOHACOSA-N	1	0	357.454	1.348	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)C2CCCCC2)[C@H](C)C1	ZINC001106115214	868516089	/nfs/dbraw/zinc/51/60/89/868516089.db2.gz	RDAGTJVCLNEPLP-BHIYHBOVSA-N	1	0	350.503	1.652	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2cc(OC)ns2)[C@H](C)C1	ZINC001106115426	868523374	/nfs/dbraw/zinc/52/33/74/868523374.db2.gz	WNTAPEYQPBOIJP-ZIAGYGMSSA-N	1	0	351.472	1.376	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2cc(C#N)ccc2F)[C@H](C)C1	ZINC001106115617	868530378	/nfs/dbraw/zinc/53/03/78/868530378.db2.gz	ZFJCGDSGNOKCBG-CRAIPNDOSA-N	1	0	357.429	1.921	20	30		FDEDRO
C=CCOc1cc(OC)ccc1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O	ZINC000463757648	868644378	/nfs/dbraw/zinc/64/43/78/868644378.db2.gz	VVGLUCCNCNABNG-INIZCTEOSA-N	1	0	361.442	1.330	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1CN(C)Cc1cn(CC)nn1	ZINC001089228699	868790913	/nfs/dbraw/zinc/79/09/13/868790913.db2.gz	LBVQTWBEYMPVAX-KSZLIROESA-N	1	0	361.490	1.702	20	30		FDEDRO
C=CCCOCCCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)[C@H](C)C1	ZINC001106124713	868922145	/nfs/dbraw/zinc/92/21/45/868922145.db2.gz	ZWFUEZBYBMARLM-FGTMMUONSA-N	1	0	367.534	1.910	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccn3c(C)cnc3c2)C[C@H]1C	ZINC001106130735	869252484	/nfs/dbraw/zinc/25/24/84/869252484.db2.gz	BVIYUQBSLGWJEI-RHSMWYFYSA-N	1	0	369.469	1.243	20	30		FDEDRO
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC(O)(C[NH+](C)C)CC1	ZINC000913681824	869406240	/nfs/dbraw/zinc/40/62/40/869406240.db2.gz	BODCXNSQVKQXCK-UHFFFAOYSA-N	1	0	356.426	1.779	20	30		FDEDRO
C#CCN(CC(=O)N1CC[NH+](CCCCCO)CC1)C(=O)OC(C)(C)C	ZINC000913695811	869445207	/nfs/dbraw/zinc/44/52/07/869445207.db2.gz	RUIVUKYZDUJVIM-UHFFFAOYSA-N	1	0	367.490	1.164	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)CCc2ncc[nH]2)C1	ZINC001060419643	869463677	/nfs/dbraw/zinc/46/36/77/869463677.db2.gz	FSDCAABMCRNRJW-OAGGEKHMSA-N	1	0	360.458	1.288	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1	ZINC001060420576	869507240	/nfs/dbraw/zinc/50/72/40/869507240.db2.gz	RIJUIUGEZXOKGV-BBWFWOEESA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CC[C@@H](CO)NC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1	ZINC000913871509	869843205	/nfs/dbraw/zinc/84/32/05/869843205.db2.gz	GCXHIUXQZAOAKW-HKUYNNGSSA-N	1	0	359.470	1.906	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C[C@H]1C	ZINC001106132937	869958565	/nfs/dbraw/zinc/95/85/65/869958565.db2.gz	FYHJVURUILDKAA-OWCLPIDISA-N	1	0	359.474	1.413	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@]4(CNC(=O)C4)C3)C2=O)cc1	ZINC000492678636	870235417	/nfs/dbraw/zinc/23/54/17/870235417.db2.gz	FHUOGOAWSILDGK-XLIONFOSSA-N	1	0	352.438	1.656	20	30		FDEDRO
C#CCN(C(=O)NC1CCN(C(=O)c2ccoc2)CC1)C1CC[NH+](C)CC1	ZINC000914000648	870274956	/nfs/dbraw/zinc/27/49/56/870274956.db2.gz	QXERKFOYWJNVCK-UHFFFAOYSA-N	1	0	372.469	1.623	20	30		FDEDRO
CN(C1CC[NH+](CCc2ccccn2)CC1)S(=O)(=O)CC(C)(C)C#N	ZINC000914024202	870397381	/nfs/dbraw/zinc/39/73/81/870397381.db2.gz	XALGQIUYSUKBIM-UHFFFAOYSA-N	1	0	364.515	1.900	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1	ZINC001033422307	882487180	/nfs/dbraw/zinc/48/71/80/882487180.db2.gz	IRMAHOFTKBYMJS-KURKYZTESA-N	1	0	354.454	1.315	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccncc2)C[C@H]1C	ZINC001106143361	871353702	/nfs/dbraw/zinc/35/37/02/871353702.db2.gz	AGYCQVZRQVEPMT-AFYVEPGGSA-N	1	0	371.481	1.493	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCOCC(F)F)[C@H](C)C1	ZINC001106147327	871403990	/nfs/dbraw/zinc/40/39/90/871403990.db2.gz	XMPPLZQLJXQZNR-FPCVCCKLSA-N	1	0	360.445	1.933	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2Cc3ccccc3O2)C[C@H]1C	ZINC001106167198	871524370	/nfs/dbraw/zinc/52/43/70/871524370.db2.gz	QEYVKSJAMSJTMT-NXHRZFHOSA-N	1	0	371.481	1.367	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CNC(=O)c2ccoc2C)C[C@H]1C	ZINC001106167719	871537053	/nfs/dbraw/zinc/53/70/53/871537053.db2.gz	JPDDNHMNDPPXBH-GDBMZVCRSA-N	1	0	363.458	1.205	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)NC(=O)C3)C[C@H]1C	ZINC001106171226	871575377	/nfs/dbraw/zinc/57/53/77/871575377.db2.gz	NKTCVJLRJUZKLV-RHSMWYFYSA-N	1	0	357.454	1.682	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NCC)[C@H](C)C1	ZINC001106175745	871580988	/nfs/dbraw/zinc/58/09/88/871580988.db2.gz	SEHJEJJNJXEEHZ-GDBMZVCRSA-N	1	0	364.490	1.285	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(N)=O)[C@H](C)C1	ZINC001106179446	871631210	/nfs/dbraw/zinc/63/12/10/871631210.db2.gz	QXGHQIIFDATXAA-CKYFFXLPSA-N	1	0	358.870	1.033	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1	ZINC000672783138	871708677	/nfs/dbraw/zinc/70/86/77/871708677.db2.gz	TYSVPYYLQLXWIK-SJORKVTESA-N	1	0	350.507	1.086	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCCN(c2ncccn2)C1)C1CC[NH+](C)CC1	ZINC000914218778	871877618	/nfs/dbraw/zinc/87/76/18/871877618.db2.gz	GQQXBLMZGGQDFT-MRXNPFEDSA-N	1	0	356.474	1.184	20	30		FDEDRO
C#CCN(C(=O)NCCc1cccc(OC)c1OC)C1CC[NH+](C)CC1	ZINC000914239857	871979767	/nfs/dbraw/zinc/97/97/67/871979767.db2.gz	QKZWPNZBSZQVRV-UHFFFAOYSA-N	1	0	359.470	1.985	20	30		FDEDRO
C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)NCc1ccc(C#N)cn1	ZINC000922103655	872030430	/nfs/dbraw/zinc/03/04/30/872030430.db2.gz	KBSDSILBGNRPIE-KRWDZBQOSA-N	1	0	357.458	1.738	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CN(C)C(=O)C1CC[NH+](C)CC1	ZINC001003021692	872312545	/nfs/dbraw/zinc/31/25/45/872312545.db2.gz	QOZQFOAYOMXJIE-KURKYZTESA-N	1	0	363.502	1.369	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccc(-n3ccnc3)c(F)c2)CC1	ZINC000914380577	872610673	/nfs/dbraw/zinc/61/06/73/872610673.db2.gz	WMYJFXMUKJYEEO-UHFFFAOYSA-N	1	0	355.417	1.908	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2nncs2)[C@H](C)C1	ZINC001106183995	873082795	/nfs/dbraw/zinc/08/27/95/873082795.db2.gz	YSRFXAOTBARNQT-CHWSQXEVSA-N	1	0	365.503	1.763	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC2(F)F)CC1	ZINC001003365380	873244093	/nfs/dbraw/zinc/24/40/93/873244093.db2.gz	LVLMLEDSTNRXTE-QXSJWSMHSA-N	1	0	365.424	1.235	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC23CCC3)CC1	ZINC001003366137	873244616	/nfs/dbraw/zinc/24/46/16/873244616.db2.gz	UGIUTAHKMMMATI-HCXYKTFWSA-N	1	0	369.509	1.770	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C)[C@H](C)C1	ZINC001106191713	873268243	/nfs/dbraw/zinc/26/82/43/873268243.db2.gz	MAFCSECPALTUND-OWCLPIDISA-N	1	0	366.506	1.650	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccnn2[C@H](C)CC)C[C@H]1C	ZINC001106191841	873268624	/nfs/dbraw/zinc/26/86/24/873268624.db2.gz	OUMAQCIVKLSFOX-BZUAXINKSA-N	1	0	361.490	1.454	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCCC2(CNc3ccnc(C#N)n3)CC2)CC[N@@H+]1C	ZINC001090005731	873428030	/nfs/dbraw/zinc/42/80/30/873428030.db2.gz	YDQQCVZMTZEQML-LSDHHAIUSA-N	1	0	356.474	1.199	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)C4CCCC4)C[C@@]3(C)C2)CC1	ZINC000993017301	873691921	/nfs/dbraw/zinc/69/19/21/873691921.db2.gz	CQCAAPWKBIQTCV-KNQAVFIVSA-N	1	0	371.525	1.829	20	30		FDEDRO
Cc1cc(C#N)nc(N(C)[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001061280959	873727134	/nfs/dbraw/zinc/72/71/34/873727134.db2.gz	KCCPBYKAOWYPBI-HYVNUMGLSA-N	1	0	356.474	1.424	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCC2CCOCC2)C[C@H]1C	ZINC001106216308	873900021	/nfs/dbraw/zinc/90/00/21/873900021.db2.gz	KFOCEXYATYCDFL-SJLPKXTDSA-N	1	0	365.518	1.570	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(COC)CCCC2)C[C@H]1C	ZINC001106217718	873915339	/nfs/dbraw/zinc/91/53/39/873915339.db2.gz	OVEUPXQIIFDOQY-HZPDHXFCSA-N	1	0	351.491	1.180	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](C[C@H](O)Cc2ccccc2)CC1	ZINC001003651273	873924045	/nfs/dbraw/zinc/92/40/45/873924045.db2.gz	BJVRNJNISFZBLH-AQNXPRMDSA-N	1	0	358.482	1.762	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCC(C)C)C1	ZINC001112349135	873949086	/nfs/dbraw/zinc/94/90/86/873949086.db2.gz	RYQSWPHUDGJLLB-BJLQDIEVSA-N	1	0	350.503	1.916	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ncnc3ccsc32)C[C@H]1C	ZINC001106222314	873961936	/nfs/dbraw/zinc/96/19/36/873961936.db2.gz	HSMXMMKYKVCURW-ZIAGYGMSSA-N	1	0	358.467	1.639	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ncn(C)c32)C[C@H]1C	ZINC001106232871	874038311	/nfs/dbraw/zinc/03/83/11/874038311.db2.gz	PEMFIRIBYICHFG-ZIAGYGMSSA-N	1	0	357.458	1.938	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3ncc(C)cn3)[C@H](C)C2)CCOCC1	ZINC001106234981	874045591	/nfs/dbraw/zinc/04/55/91/874045591.db2.gz	GMZSKIIUXHBNLV-QZTJIDSGSA-N	1	0	370.497	1.789	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]C[C@@H]3CCCOC3)[C@H](C)C2)CCOCC1	ZINC001106235226	874046697	/nfs/dbraw/zinc/04/66/97/874046697.db2.gz	NADSBRAANSUTSE-CEXWTWQISA-N	1	0	362.514	1.917	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3cnc(C)cn3)[C@H](C)C2)CCOCC1	ZINC001106235440	874048172	/nfs/dbraw/zinc/04/81/72/874048172.db2.gz	SRGMCPWIJBHTQW-SJLPKXTDSA-N	1	0	370.497	1.789	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(=O)[nH]c(C3CC3)c2)C[C@H]1C	ZINC001106237647	874067000	/nfs/dbraw/zinc/06/70/00/874067000.db2.gz	PKRRITSHBWLRES-RHSMWYFYSA-N	1	0	357.454	1.612	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCC(=O)NC2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106240075	874080835	/nfs/dbraw/zinc/08/08/35/874080835.db2.gz	JEYLXHHBDISWAX-MISYRCLQSA-N	1	0	367.493	1.639	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCO[C@H]2CC2(F)F)C1	ZINC001112352601	874110509	/nfs/dbraw/zinc/11/05/09/874110509.db2.gz	SNUPLVMETYLEDV-BQFCYCMXSA-N	1	0	370.440	1.669	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C(C)C)nc2)C[C@H]1C	ZINC001106248728	874116545	/nfs/dbraw/zinc/11/65/45/874116545.db2.gz	XLMOCFVLXXFIRR-NVXWUHKLSA-N	1	0	358.486	1.805	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H](OCC)C(C)C)C[C@H]1C	ZINC001106248832	874117768	/nfs/dbraw/zinc/11/77/68/874117768.db2.gz	ZQLJTTQPHCTVFZ-BRWVUGGUSA-N	1	0	353.507	1.424	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(F)ccc2F)C[C@H]1C	ZINC001106252764	874147844	/nfs/dbraw/zinc/14/78/44/874147844.db2.gz	RGVLLLQBMRDRSU-CHWSQXEVSA-N	1	0	351.397	1.565	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2nc[nH]c2C(F)(F)F)C[C@H]1C	ZINC001106254984	874158604	/nfs/dbraw/zinc/15/86/04/874158604.db2.gz	DTGKHSXDMIDZQR-VXGBXAGGSA-N	1	0	358.364	1.376	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)Cc1ccccc1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001060496724	874180985	/nfs/dbraw/zinc/18/09/85/874180985.db2.gz	FUBBTFIYNMYSDR-HDMKZQKVSA-N	1	0	356.470	1.761	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)c3ccccc32)C[C@H]1C	ZINC001106261207	874214094	/nfs/dbraw/zinc/21/40/94/874214094.db2.gz	WWWBVGZIDZRGCS-GPMSIDNRSA-N	1	0	371.481	1.400	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCOc2ccccc2)[C@H](C)C1	ZINC001106266399	874260553	/nfs/dbraw/zinc/26/05/53/874260553.db2.gz	HUQRAPWLYOAASZ-SBHAEUEKSA-N	1	0	369.509	1.847	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2C)[C@@H](n2ccnn2)C1	ZINC001128705164	882812651	/nfs/dbraw/zinc/81/26/51/882812651.db2.gz	FPZDURAMGIFYRO-MSOLQXFVSA-N	1	0	371.489	1.722	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccnc(CCC)c2)C[C@H]1C	ZINC001106280598	874393611	/nfs/dbraw/zinc/39/36/11/874393611.db2.gz	RONOBLQHOUGQET-NVXWUHKLSA-N	1	0	356.470	1.081	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnc3[nH]ccc3c2)C[C@H]1C	ZINC001106285960	874443194	/nfs/dbraw/zinc/44/31/94/874443194.db2.gz	CTUYTJXOCODTED-CKEIUWERSA-N	1	0	369.469	1.503	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1Cn1c(C)cc(C=NN[C@H]2CCS(=O)(=O)C2)c1C	ZINC000914690146	874505902	/nfs/dbraw/zinc/50/59/02/874505902.db2.gz	LCIUYVXIKSGPAY-ROUUACIJSA-N	1	0	366.531	1.700	20	30		FDEDRO
Cc1cc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)c(F)cc1F	ZINC001106303152	874640572	/nfs/dbraw/zinc/64/05/72/874640572.db2.gz	ZSMUNCKAXBXBHS-CHWSQXEVSA-N	1	0	364.396	1.211	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2nc(OC)cc(OC)n2)C[C@H]1C	ZINC001106320991	874775066	/nfs/dbraw/zinc/77/50/66/874775066.db2.gz	PUNBFTVIIXINEC-ZYHUDNBSSA-N	1	0	354.838	1.544	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ncc(F)cc2F)C[C@H]1C	ZINC001106324430	874782075	/nfs/dbraw/zinc/78/20/75/874782075.db2.gz	OVHGGCRGFWQNBN-FRRDWIJNSA-N	1	0	366.412	1.348	20	30		FDEDRO
N#CCOc1cccc(CC(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)c1	ZINC000761887462	874783339	/nfs/dbraw/zinc/78/33/39/874783339.db2.gz	ODTGZJZRZDIFKI-IBGZPJMESA-N	1	0	357.454	1.845	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2cnc3ccccn3c2=O)C[C@H]1C	ZINC001106329136	874797243	/nfs/dbraw/zinc/79/72/43/874797243.db2.gz	YSOICNAZJIEHJH-HZPDHXFCSA-N	1	0	354.454	1.958	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CCS(=O)(=O)CC(C)C)C[C@H]1C	ZINC001106331390	874804638	/nfs/dbraw/zinc/80/46/38/874804638.db2.gz	XTBMALOFOFNOOB-UKRRQHHQSA-N	1	0	364.939	1.884	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2ccncc2)C[C@H]1C	ZINC001106355737	874887812	/nfs/dbraw/zinc/88/78/12/874887812.db2.gz	RCQBCYDQAXHHOV-JFIYKMOQSA-N	1	0	358.486	1.389	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)COC2CCCCC2)C[C@H]1C	ZINC001106355735	874887961	/nfs/dbraw/zinc/88/79/61/874887961.db2.gz	RCBWMEBHRKHIEJ-IXDOHACOSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cncc3[nH]ccc32)C[C@H]1C	ZINC001106376494	874971351	/nfs/dbraw/zinc/97/13/51/874971351.db2.gz	AQJDQASYKWCNTJ-RBSFLKMASA-N	1	0	369.469	1.551	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C)cc(OC)c2C)C[C@H]1C	ZINC001106376639	874972410	/nfs/dbraw/zinc/97/24/10/874972410.db2.gz	HSEHOYLWRNBHBO-NVXWUHKLSA-N	1	0	371.481	1.359	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1	ZINC000993156831	875089053	/nfs/dbraw/zinc/08/90/53/875089053.db2.gz	OZGBHVJOOCPKRF-AHRSYUTCSA-N	1	0	359.514	1.991	20	30		FDEDRO
COc1nccc(C(=O)N2C[C@@H](C[NH2+]CC#Cc3ccccc3)[C@H](C)C2)n1	ZINC001106409733	875173212	/nfs/dbraw/zinc/17/32/12/875173212.db2.gz	VVUDXXCCGPKMHY-SJLPKXTDSA-N	1	0	364.449	1.835	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@]3(C)C2)C1	ZINC000993161639	875195984	/nfs/dbraw/zinc/19/59/84/875195984.db2.gz	ZBGLPYIISBBFCF-AUSJPIAWSA-N	1	0	369.469	1.149	20	30		FDEDRO
CCOc1cc(C=NNC(N)=[NH2+])ccc1OCC(=O)Nc1ccccc1	ZINC000915051246	875353206	/nfs/dbraw/zinc/35/32/06/875353206.db2.gz	ZEHHEULSXGXNCL-UHFFFAOYSA-N	1	0	355.398	1.920	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ncc(C)cc2C)C[C@H]1C	ZINC001106459148	875435535	/nfs/dbraw/zinc/43/55/35/875435535.db2.gz	OQCBCVHRPBKCJC-IXDOHACOSA-N	1	0	358.486	1.687	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2nccc3occc32)C[C@H]1C	ZINC001106461085	875448925	/nfs/dbraw/zinc/44/89/25/875448925.db2.gz	JMCFBGYCNJTJHW-QLFBSQMISA-N	1	0	368.437	1.263	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]CCc2cnn(C)c2)[C@H](C)C1	ZINC001106485955	875639524	/nfs/dbraw/zinc/63/95/24/875639524.db2.gz	INLCYBFKGWFSBS-POAQFYNOSA-N	1	0	362.518	1.876	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2cccc(C)c2)C[C@H]1C	ZINC001106490100	875664880	/nfs/dbraw/zinc/66/48/80/875664880.db2.gz	NGHIFXKCVMRFKU-IEBWSBKVSA-N	1	0	355.482	1.361	20	30		FDEDRO
Cc1ccc(CCC(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)c(C)c1	ZINC001106492744	875670370	/nfs/dbraw/zinc/67/03/70/875670370.db2.gz	GFYDDFDPJRTQMJ-IEBWSBKVSA-N	1	0	370.497	1.560	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cncn3)nc2)C[C@H]1C	ZINC001106502071	875729411	/nfs/dbraw/zinc/72/94/11/875729411.db2.gz	PBFGPMOZKNQKHZ-NVXWUHKLSA-N	1	0	354.458	1.926	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cn2nc3ccccn3c2=O)C[C@H]1C	ZINC001106506105	875741392	/nfs/dbraw/zinc/74/13/92/875741392.db2.gz	GPLUVQRORRDYAD-HZPDHXFCSA-N	1	0	357.458	1.146	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(OC)cs2)C[C@H]1C	ZINC001106513895	875784562	/nfs/dbraw/zinc/78/45/62/875784562.db2.gz	UDNLKQPLPYDVMF-HZSPNIEDSA-N	1	0	363.483	1.192	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC3CCC3)[C@H](C)C2)cc1	ZINC001106511694	875789668	/nfs/dbraw/zinc/78/96/68/875789668.db2.gz	SGAPRHUGLJZEPV-OXQOHEQNSA-N	1	0	367.493	1.882	20	30		FDEDRO
CCC[C@H](OC)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CCC#N)[C@H](C)C1	ZINC001106518944	875817025	/nfs/dbraw/zinc/81/70/25/875817025.db2.gz	TYMMSVZCXOJXRI-ZACQAIPSSA-N	1	0	366.506	1.248	20	30		FDEDRO
C=C/C(C)=C/CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CCC#N)[C@H](C)C1	ZINC001106548578	875935951	/nfs/dbraw/zinc/93/59/51/875935951.db2.gz	GJWMGBPDVQAFMR-ACHCSXDHSA-N	1	0	360.502	1.955	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1C	ZINC001106562921	875960924	/nfs/dbraw/zinc/96/09/24/875960924.db2.gz	HTKMGWCPGDVMDQ-RAIGVLPGSA-N	1	0	358.280	1.057	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CCCN2C(=O)CNC2=O)[C@H](C)C1	ZINC001106563501	875962379	/nfs/dbraw/zinc/96/23/79/875962379.db2.gz	CBZQMDYYFAZTAQ-BZUAXINKSA-N	1	0	364.490	1.215	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]Cc2nnc3n2CCCC3)[C@H](C)C1	ZINC001106559152	875965952	/nfs/dbraw/zinc/96/59/52/875965952.db2.gz	GVBAXCVDDCLROX-IAGOWNOFSA-N	1	0	357.502	1.992	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]CC2(CS(C)(=O)=O)CC2)[C@H](C)C1	ZINC001106559417	875966426	/nfs/dbraw/zinc/96/64/26/875966426.db2.gz	SRFNMXRGGMDLIX-IAGOWNOFSA-N	1	0	368.543	1.689	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccn(CC)c2C)C[C@H]1C	ZINC001106571343	875985565	/nfs/dbraw/zinc/98/55/65/875985565.db2.gz	VYKVMWJZBLHWFA-HLLBOEOZSA-N	1	0	358.486	1.252	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCCC2(F)F)C[C@H]1C	ZINC001106582100	876030130	/nfs/dbraw/zinc/03/01/30/876030130.db2.gz	SFLWBTGROKACMT-RBSFLKMASA-N	1	0	357.445	1.798	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2coc(C(F)F)c2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106585578	876046403	/nfs/dbraw/zinc/04/64/03/876046403.db2.gz	KRIQRVYQUGDHMG-ZYHUDNBSSA-N	1	0	354.357	1.155	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NCCCOC)[C@H](C)C1	ZINC001106612896	876175245	/nfs/dbraw/zinc/17/52/45/876175245.db2.gz	RJSVBXAIRKXPQY-IXDOHACOSA-N	1	0	353.507	1.568	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@]3(C)C2)cc1	ZINC000993209407	876179877	/nfs/dbraw/zinc/17/98/77/876179877.db2.gz	AZNUVUKCDMZZHN-NNMXDRDESA-N	1	0	367.493	1.929	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)CN2CCCC2=O)[C@H](C)C1	ZINC001106609929	876184623	/nfs/dbraw/zinc/18/46/23/876184623.db2.gz	VFUIELWHDUIHJW-ZACQAIPSSA-N	1	0	351.491	1.010	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cnccn2)[C@H](C)C1	ZINC001106629866	876275058	/nfs/dbraw/zinc/27/50/58/876275058.db2.gz	VCCGPDIERUPZHY-CLCXKQKWSA-N	1	0	359.474	1.702	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](C[NH2+]CCN2CCCS2(=O)=O)[C@H](C)C1	ZINC001106629219	876275767	/nfs/dbraw/zinc/27/57/67/876275767.db2.gz	FSMKYMBLFLMCMO-JFIYKMOQSA-N	1	0	371.547	1.308	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)[C@H](C)C2)CC1	ZINC001106633570	876284071	/nfs/dbraw/zinc/28/40/71/876284071.db2.gz	MYGYVBMRGSWLSB-VNHYZAJKSA-N	1	0	350.463	1.000	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]CCNC(=O)NC(C)C)[C@H](C)C2)c1	ZINC001106650377	876388300	/nfs/dbraw/zinc/38/83/00/876388300.db2.gz	LNZOISTVNNABCM-CRAIPNDOSA-N	1	0	371.485	1.068	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]CCOCC(F)(F)F)[C@H](C)C2)c1	ZINC001106650572	876389120	/nfs/dbraw/zinc/38/91/20/876389120.db2.gz	TWMDJNNZCZBFAD-CZUORRHYSA-N	1	0	369.387	1.940	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2C2(C)CC2)C[C@H]1C	ZINC001106657850	876429475	/nfs/dbraw/zinc/42/94/75/876429475.db2.gz	ULKWLSSKFUMNFH-IAGOWNOFSA-N	1	0	367.493	1.785	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc3occc3s2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106661997	876465132	/nfs/dbraw/zinc/46/51/32/876465132.db2.gz	XPUKDQXCWVGWET-VXGBXAGGSA-N	1	0	360.439	1.432	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C[NH2+]CC#Cc1ccc(Cl)cc1	ZINC001106669132	876500834	/nfs/dbraw/zinc/50/08/34/876500834.db2.gz	XQCBFPOJWAPESR-UWIFEVILSA-N	1	0	373.884	1.497	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc3c2OCC3)C[C@H]1C	ZINC001106690086	876582501	/nfs/dbraw/zinc/58/25/01/876582501.db2.gz	UCVUHIXELRGJBO-HLLBOEOZSA-N	1	0	371.481	1.610	20	30		FDEDRO
C#CC[C@@H](CO)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC	ZINC000922892629	883067794	/nfs/dbraw/zinc/06/77/94/883067794.db2.gz	DIYSEEIQPVBUHU-CEXWTWQISA-N	1	0	359.470	1.207	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cn(CC)nc2C)C[C@H]1C	ZINC001106712627	876904417	/nfs/dbraw/zinc/90/44/17/876904417.db2.gz	FHEKWQWALZUFAH-VNQPRFMTSA-N	1	0	361.490	1.200	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCOCC2)[C@H](C)C1	ZINC001106709086	876918900	/nfs/dbraw/zinc/91/89/00/876918900.db2.gz	TXMCOFZHIYPFHW-HZPDHXFCSA-N	1	0	365.518	1.568	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccsc2Cl)C[C@H]1C	ZINC001106731085	877234176	/nfs/dbraw/zinc/23/41/76/877234176.db2.gz	GHXAYAYIAHXIRH-VXGBXAGGSA-N	1	0	353.875	1.449	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2cnsn2)[C@H](C)C1	ZINC001106733096	877255679	/nfs/dbraw/zinc/25/56/79/877255679.db2.gz	GOEFODXTKTZFFD-XNRPHZJLSA-N	1	0	365.503	1.193	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2cnn(C)c2)[C@H](C)C1	ZINC001106733110	877256381	/nfs/dbraw/zinc/25/63/81/877256381.db2.gz	HIJIZXZBKQYNGA-ZTFGCOKTSA-N	1	0	361.490	1.075	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2cnns2)[C@H](C)C1	ZINC001106733622	877272011	/nfs/dbraw/zinc/27/20/11/877272011.db2.gz	CAKZRGADAGYQOR-XPKDYRNWSA-N	1	0	365.503	1.193	20	30		FDEDRO
CSC1(CNS(=O)(=O)Cc2csc(C#N)c2)CC[NH+](C)CC1	ZINC000915734289	877293422	/nfs/dbraw/zinc/29/34/22/877293422.db2.gz	CIXISRBSOLYCMU-UHFFFAOYSA-N	1	0	359.542	1.867	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1	ZINC000999187445	912220114	/nfs/dbraw/zinc/22/01/14/912220114.db2.gz	TVXBGCDIVNVQIY-FHLIZLRMSA-N	1	0	354.454	1.554	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]CCn3cccn3)[C@H](C)C2)cc1	ZINC001106740367	877405819	/nfs/dbraw/zinc/40/58/19/877405819.db2.gz	MGVUOMCCUWQAIM-IEBWSBKVSA-N	1	0	366.465	1.893	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]C[C@H](O)COC)[C@H](C)C2)cc1	ZINC001106740301	877406139	/nfs/dbraw/zinc/40/61/39/877406139.db2.gz	IZLVCWHHZNNIOL-NXHRZFHOSA-N	1	0	360.454	1.004	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2F)C[C@H]1C	ZINC001106747256	877443430	/nfs/dbraw/zinc/44/34/30/877443430.db2.gz	OLGHCGIBSYBEJB-XYVMCAHJSA-N	1	0	371.456	1.363	20	30		FDEDRO
C#CCN(C(=O)N[C@@H](CC(=O)NC)c1ccccc1)C1CC[NH+](C)CC1	ZINC000922306317	877467135	/nfs/dbraw/zinc/46/71/35/877467135.db2.gz	KVMUOBULXRNXEX-SFHVURJKSA-N	1	0	356.470	1.603	20	30		FDEDRO
C#CCN(C(=O)N[C@H](CC(=O)NC)c1ccccc1)C1CC[NH+](C)CC1	ZINC000922306316	877467759	/nfs/dbraw/zinc/46/77/59/877467759.db2.gz	KVMUOBULXRNXEX-GOSISDBHSA-N	1	0	356.470	1.603	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C[C@H]1C	ZINC001106750042	877505306	/nfs/dbraw/zinc/50/53/06/877505306.db2.gz	NRCRMJAQTYDRCX-KIQACKJLSA-N	1	0	367.493	1.614	20	30		FDEDRO
Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106752526	877536969	/nfs/dbraw/zinc/53/69/69/877536969.db2.gz	WLQGKEZMSXWBRO-ZAWLATJESA-N	1	0	368.481	1.422	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCCC2)C[C@H]1C	ZINC001106756152	877574559	/nfs/dbraw/zinc/57/45/59/877574559.db2.gz	LAXQQDGEFBLOFW-HZPDHXFCSA-N	1	0	356.532	1.994	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)nn2)C[C@H]1C	ZINC001106758176	877590306	/nfs/dbraw/zinc/59/03/06/877590306.db2.gz	QADDLZBKXZHIOF-TZMCWYRMSA-N	1	0	360.849	1.713	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CCCN(C(=O)[C@]23C[C@H]2COC3)C1	ZINC000999201526	912269355	/nfs/dbraw/zinc/26/93/55/912269355.db2.gz	HCPCFPAQJXWGKW-QKLQHJQFSA-N	1	0	355.438	1.684	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCc3ccccc32)C[C@H]1C	ZINC001106781048	877804785	/nfs/dbraw/zinc/80/47/85/877804785.db2.gz	OELVLPWOTBSAEK-NZSAHSFTSA-N	1	0	367.493	1.540	20	30		FDEDRO
N#Cc1ccccc1/C=C\C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000922348492	877842547	/nfs/dbraw/zinc/84/25/47/877842547.db2.gz	VHMRKPNINBDHRD-WHXUGTBJSA-N	1	0	368.481	1.484	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnon2)C[C@H]1C	ZINC001106786156	877909480	/nfs/dbraw/zinc/90/94/80/877909480.db2.gz	MZOWCCSEVXRAGA-QLFBSQMISA-N	1	0	363.462	1.180	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@H]2CC(c3ccc(C)cc3)=NO2)CC1	ZINC000922365037	877930842	/nfs/dbraw/zinc/93/08/42/877930842.db2.gz	UGCZHCOYVPFXIA-GOSISDBHSA-N	1	0	354.454	1.885	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2coc3ccccc23)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106798677	878004329	/nfs/dbraw/zinc/00/43/29/878004329.db2.gz	QJSRJJYUDDXGIU-GDBMZVCRSA-N	1	0	368.437	1.299	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C1	ZINC000658624395	878046100	/nfs/dbraw/zinc/04/61/00/878046100.db2.gz	NJMSQPJDZYAAMR-DLBZAZTESA-N	1	0	363.502	1.513	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cc(C)nc3c2cnn3C)C[C@H]1C	ZINC001106802780	878048630	/nfs/dbraw/zinc/04/86/30/878048630.db2.gz	JDRBWPNMWPBFGA-GDBMZVCRSA-N	1	0	371.485	1.777	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN(C(C)=O)C2)C[C@H]1C(F)(F)F	ZINC001099276997	878082502	/nfs/dbraw/zinc/08/25/02/878082502.db2.gz	NSNKAEVTXGWYAI-RBSFLKMASA-N	1	0	361.408	1.800	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C2(N3CCOCC3)CCC2)C[C@H]1C	ZINC001106818712	878268787	/nfs/dbraw/zinc/26/87/87/878268787.db2.gz	YAGAYBBMTKUICX-QZTJIDSGSA-N	1	0	365.518	1.128	20	30		FDEDRO
CN1CCOC[C@@]1(CO)C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000922539471	878491269	/nfs/dbraw/zinc/49/12/69/878491269.db2.gz	LUCVPDNRCLAOJV-FQEVSTJZSA-N	1	0	369.469	1.246	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1=O	ZINC000499935547	878617110	/nfs/dbraw/zinc/61/71/10/878617110.db2.gz	AFTUKDPDZLCXGV-AWEZNQCLSA-N	1	0	374.397	1.612	20	30		FDEDRO
C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(CCOC)CC1	ZINC000508956435	878692673	/nfs/dbraw/zinc/69/26/73/878692673.db2.gz	PTTBYTRQPUGXKW-GOSISDBHSA-N	1	0	369.469	1.909	20	30		FDEDRO
O=C(C#CC1CC1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2	ZINC001004273516	878741563	/nfs/dbraw/zinc/74/15/63/878741563.db2.gz	SGZICTUCTGYZCW-XSYGEPLQSA-N	1	0	355.482	1.522	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCC1(n2cc(Br)cn2)CC1	ZINC000922630869	878854156	/nfs/dbraw/zinc/85/41/56/878854156.db2.gz	SLUOFMHWKYHNIW-UHFFFAOYSA-N	1	0	368.279	1.389	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C3)cn1	ZINC001004369236	879273476	/nfs/dbraw/zinc/27/34/76/879273476.db2.gz	QGWUOXDOYLTOIG-AXUOBQJMSA-N	1	0	366.465	1.266	20	30		FDEDRO
C#CCN(C(=O)NCc1ccc2c(c1)[nH]ccc2=O)C1CC[NH+](C)CC1	ZINC000922823398	879420936	/nfs/dbraw/zinc/42/09/36/879420936.db2.gz	LQQQFMDACOTPND-UHFFFAOYSA-N	1	0	352.438	1.767	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)[C@H](C)C2)cc1	ZINC000993844768	879883633	/nfs/dbraw/zinc/88/36/33/879883633.db2.gz	UWRCPIRMCKIPSF-LZQZEXGQSA-N	1	0	353.466	1.586	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCC(F)(F)C3)C[C@@H]2O)nn1	ZINC001083843680	879963255	/nfs/dbraw/zinc/96/32/55/879963255.db2.gz	SZVBSGDYNCIGPO-NFAWXSAZSA-N	1	0	369.416	1.065	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)[C@H](C)C1	ZINC000993913356	880127797	/nfs/dbraw/zinc/12/77/97/880127797.db2.gz	JEFDTJBYZVJWQW-KYJSFNMBSA-N	1	0	371.485	1.585	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)CC[N@@H+]1C	ZINC000994087773	880636050	/nfs/dbraw/zinc/63/60/50/880636050.db2.gz	OACJSICGRXIUSE-AHEZYBDSSA-N	1	0	371.485	1.441	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@@H]1O	ZINC001083936382	912600352	/nfs/dbraw/zinc/60/03/52/912600352.db2.gz	KXVDHGZALMIHCN-KGLIPLIRSA-N	1	0	367.396	1.467	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)c3cccn3C)C[C@H]2C)CC1	ZINC000994136676	880896331	/nfs/dbraw/zinc/89/63/31/880896331.db2.gz	NWPHUAJBTVQNLW-SJLPKXTDSA-N	1	0	370.497	1.195	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cn2nc3n(c2=O)CCCC3)C[C@H]1C	ZINC001106844412	880918526	/nfs/dbraw/zinc/91/85/26/880918526.db2.gz	YNJIPXDYTSNJMY-HZPDHXFCSA-N	1	0	361.490	1.031	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C	ZINC000994239177	881231009	/nfs/dbraw/zinc/23/10/09/881231009.db2.gz	IUVHLDPLYHMPGF-CPUCHLNUSA-N	1	0	357.458	1.195	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CN=Nc2ccc(S(N)(=O)=O)cn2)cc1	ZINC000915961857	881273208	/nfs/dbraw/zinc/27/32/08/881273208.db2.gz	KHUWMFWJFUKSSC-UHFFFAOYSA-N	1	0	363.443	1.115	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H](C2CCOCC2)C2(CO)CCC2)CC1	ZINC000917142298	883131804	/nfs/dbraw/zinc/13/18/04/883131804.db2.gz	YTRYRXSYQZFUGX-SFHVURJKSA-N	1	0	365.518	1.894	20	30		FDEDRO
COC(=O)[C@H]1CC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1	ZINC000917158827	883148975	/nfs/dbraw/zinc/14/89/75/883148975.db2.gz	XIGQCIANXSWWIR-GXTWGEPZSA-N	1	0	350.378	1.719	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC001005398934	883214403	/nfs/dbraw/zinc/21/44/03/883214403.db2.gz	LXGVGMMZFRNTHD-ZTFGCOKTSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cc(C)n[nH]2)[C@@H](n2ccnn2)C1	ZINC001128877637	883913611	/nfs/dbraw/zinc/91/36/11/883913611.db2.gz	FHDQZPQAWZACAK-OIISXLGYSA-N	1	0	357.462	1.249	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@@H+](CCOCCCC)C[C@@H]1n1ccnn1	ZINC001128908485	884053308	/nfs/dbraw/zinc/05/33/08/884053308.db2.gz	ZZLDHYZFNAGMEB-MSOLQXFVSA-N	1	0	361.490	1.630	20	30		FDEDRO
C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1	ZINC001034322016	884175729	/nfs/dbraw/zinc/17/57/29/884175729.db2.gz	DVUMXAGWGRTLLE-OTWHNJEPSA-N	1	0	365.518	1.413	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]CC[C@@H]2CCCO2)[C@H](C)C1	ZINC001106890969	884203942	/nfs/dbraw/zinc/20/39/42/884203942.db2.gz	POPWAKKJUKUSGA-KURKYZTESA-N	1	0	371.481	1.960	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2C)c1	ZINC000994566449	884305133	/nfs/dbraw/zinc/30/51/33/884305133.db2.gz	KIUZZGPYVIMRCU-LZQZEXGQSA-N	1	0	370.497	1.473	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)cc1	ZINC001034400653	884305417	/nfs/dbraw/zinc/30/54/17/884305417.db2.gz	ZQCBVOZPGAMISB-QYZOEREBSA-N	1	0	368.481	1.931	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)c1	ZINC001034401095	884307288	/nfs/dbraw/zinc/30/72/88/884307288.db2.gz	ZDJZVEWAQCPFNK-FGTMMUONSA-N	1	0	370.453	1.062	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC/C=C\CCC)C[C@@H]1n1ccnn1	ZINC001128979846	884565372	/nfs/dbraw/zinc/56/53/72/884565372.db2.gz	CBYIJAPZOFKUTJ-CBETYXLMSA-N	1	0	359.474	1.404	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1F	ZINC001034642583	884600851	/nfs/dbraw/zinc/60/08/51/884600851.db2.gz	DRTZUTIPHAGAAH-KCYZZUKISA-N	1	0	360.389	1.880	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2nnnn2C)CC1	ZINC001034648610	884616413	/nfs/dbraw/zinc/61/64/13/884616413.db2.gz	KFHWIEVTXYPHMT-QCODTGAPSA-N	1	0	362.478	1.269	20	30		FDEDRO
C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1	ZINC001034732652	884922834	/nfs/dbraw/zinc/92/28/34/884922834.db2.gz	GKXGDKKQUPBQTE-XLAORIBOSA-N	1	0	363.502	1.750	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)CC1	ZINC001034736653	884930810	/nfs/dbraw/zinc/93/08/10/884930810.db2.gz	ZNICCWONAZCSBY-CADBVGFASA-N	1	0	368.481	1.800	20	30		FDEDRO
CC1(NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC001045557581	884950600	/nfs/dbraw/zinc/95/06/00/884950600.db2.gz	ORTUYBFBZWKNFF-MSOLQXFVSA-N	1	0	368.481	1.931	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(CC)n2)CC1	ZINC001034753480	884964538	/nfs/dbraw/zinc/96/45/38/884964538.db2.gz	HZLJREVZQQTXIV-LAQRGFTBSA-N	1	0	361.490	1.796	20	30		FDEDRO
CNC(=O)[C@H]1CCC[C@@H]1NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000498538450	885177905	/nfs/dbraw/zinc/17/79/05/885177905.db2.gz	DKELIWNWDIBTPQ-ROUUACIJSA-N	1	0	369.469	1.300	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCC3(F)F)C[C@@H]2O)nc1	ZINC001083969824	912919356	/nfs/dbraw/zinc/91/93/56/912919356.db2.gz	WQGUKEOSWNFFQV-OIISXLGYSA-N	1	0	363.408	1.663	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccn(C(C)(C)C)n2)[C@@H](n2ccnn2)C1	ZINC001129025843	885287718	/nfs/dbraw/zinc/28/77/18/885287718.db2.gz	RMOVBCQERWBKMG-SJORKVTESA-N	1	0	371.489	1.851	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@H+](CCCOC)C[C@@H]1n1ccnn1)OCC	ZINC001129029711	885341292	/nfs/dbraw/zinc/34/12/92/885341292.db2.gz	KXXAVPCEWSNLBO-IXDOHACOSA-N	1	0	365.478	1.027	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccnc(OC)n1	ZINC001035076140	885573104	/nfs/dbraw/zinc/57/31/04/885573104.db2.gz	ZBWHAVQSUDTPNS-IKGGRYGDSA-N	1	0	360.458	1.547	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2[nH]c(=O)[nH]c2C)[C@@H](n2ccnn2)C1	ZINC001129054304	885585509	/nfs/dbraw/zinc/58/55/09/885585509.db2.gz	BIEAZYBPPIELBW-BNOWGMLFSA-N	1	0	359.434	1.025	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2onc(C)c2C)[C@@H](n2ccnn2)C1	ZINC001129060406	885628889	/nfs/dbraw/zinc/62/88/89/885628889.db2.gz	QIJWTRDYGZDDKG-WQVCFCJDSA-N	1	0	358.446	1.893	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCn3nccc32)[C@@H](n2ccnn2)C1	ZINC001129078724	885685259	/nfs/dbraw/zinc/68/52/59/885685259.db2.gz	DNJVBNCWCIBYQZ-JZXOWHBKSA-N	1	0	369.473	1.360	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2cncnc2)[C@@H](n2ccnn2)C1	ZINC001129103073	885698613	/nfs/dbraw/zinc/69/86/13/885698613.db2.gz	CRPFWPDDIJVLGT-NXHRZFHOSA-N	1	0	369.473	1.397	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2(COCC)CC2)[C@@H](n2ccnn2)C1	ZINC001129084654	885712421	/nfs/dbraw/zinc/71/24/21/885712421.db2.gz	RGQQMCXPTHWTJD-ZACQAIPSSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2Cc3ccccc3O2)[C@@H](n2ccnn2)C1	ZINC001129093430	885722229	/nfs/dbraw/zinc/72/22/29/885722229.db2.gz	GZOMYDXMEYKSJD-AOIWGVFYSA-N	1	0	367.453	1.590	20	30		FDEDRO
C#CCOCCC(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001060732555	885799197	/nfs/dbraw/zinc/79/91/97/885799197.db2.gz	MOLLFBKAVIYGKE-BRSBDYLESA-N	1	0	363.502	1.158	20	30		FDEDRO
C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1OCC[C@@H]1Cn1cccn1)CC2	ZINC001035238001	885801869	/nfs/dbraw/zinc/80/18/69/885801869.db2.gz	MFWSYYWSJVIVSD-QZTJIDSGSA-N	1	0	356.470	1.236	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC[N@H+](CCn3cncn3)C2)CC1	ZINC001035230166	885816281	/nfs/dbraw/zinc/81/62/81/885816281.db2.gz	DVDQBEFXNORBLZ-SJORKVTESA-N	1	0	359.474	1.184	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC[N@@H+](Cc3ccnn3C)C2)CC1	ZINC001035230347	885817908	/nfs/dbraw/zinc/81/79/08/885817908.db2.gz	HRHKJVGETCEPHZ-MSOLQXFVSA-N	1	0	358.486	1.826	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)CC(C)(C)C1	ZINC001089515821	885910433	/nfs/dbraw/zinc/91/04/33/885910433.db2.gz	APSSAQKAKHBTTR-RYRKJORJSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)CC(C)(C)C1	ZINC001089517954	885929117	/nfs/dbraw/zinc/92/91/17/885929117.db2.gz	WXEFHEMWWRNVDE-ZOBUZTSGSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C(=O)N(C)CC)c2)CC1	ZINC000499077880	886311006	/nfs/dbraw/zinc/31/10/06/886311006.db2.gz	PTJOSBBCPDBDMT-UHFFFAOYSA-N	1	0	372.469	1.484	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)C#CC1CC1	ZINC001212244435	886322494	/nfs/dbraw/zinc/32/24/94/886322494.db2.gz	SZLMGRJJBQGKSS-RTBURBONSA-N	1	0	353.422	1.318	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCCOCc2ccccc2)C[C@H]1NC(=O)C#CC1CC1	ZINC001212246149	886463426	/nfs/dbraw/zinc/46/34/26/886463426.db2.gz	LRLJYGVTOIPCIK-WOJBJXKFSA-N	1	0	356.466	1.822	20	30		FDEDRO
N#Cc1ccc(C[NH+]2CC3(C2)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC3)cc1	ZINC001035799068	886464541	/nfs/dbraw/zinc/46/45/41/886464541.db2.gz	WSISAMVZNTVLKQ-SJORKVTESA-N	1	0	352.438	1.104	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@@H]1n1ccnn1	ZINC001129209213	886566414	/nfs/dbraw/zinc/56/64/14/886566414.db2.gz	FAKMCWSOBVLAJC-KSZLIROESA-N	1	0	361.490	1.793	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)CC1(CC#N)CC1)C2	ZINC000920273585	886796523	/nfs/dbraw/zinc/79/65/23/886796523.db2.gz	INYZPIMXVFMDCE-PNBKFKSVSA-N	1	0	355.504	1.079	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]2n2ccnn2)CCC1	ZINC001129243053	886796693	/nfs/dbraw/zinc/79/66/93/886796693.db2.gz	GLWBRQPOXOMXIT-ZACQAIPSSA-N	1	0	359.474	1.403	20	30		FDEDRO
CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)CC3(C#N)CC3)C2)[C@H]1C(C)C	ZINC000920302900	886840424	/nfs/dbraw/zinc/84/04/24/886840424.db2.gz	JMLQFEWSWJNOKD-KCYZZUKISA-N	1	0	355.504	1.079	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2conc2C2CC2)[C@@H](n2ccnn2)C1	ZINC001129252481	886879501	/nfs/dbraw/zinc/87/95/01/886879501.db2.gz	AAOSWWOZFZKEKL-CVEARBPZSA-N	1	0	356.430	1.765	20	30		FDEDRO
C#CCCCS(=O)(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21	ZINC000710182840	886911021	/nfs/dbraw/zinc/91/10/21/886911021.db2.gz	FIWCHHJZZSULOK-RTBURBONSA-N	1	0	362.495	1.705	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CN(C)c3ccc(C#N)nn3)C2)CC[N@@H+]1C	ZINC001062185595	886956223	/nfs/dbraw/zinc/95/62/23/886956223.db2.gz	PXHSTTBWEAWWKK-BHYGNILZSA-N	1	0	356.474	1.363	20	30		FDEDRO
CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)Cn1cnc(C#N)n1	ZINC000920590176	887057646	/nfs/dbraw/zinc/05/76/46/887057646.db2.gz	BAMHXTAFLFXNCW-KRWDZBQOSA-N	1	0	352.442	1.663	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3nccn3C)C2)CC1	ZINC000373114326	887109459	/nfs/dbraw/zinc/10/94/59/887109459.db2.gz	YMHZGNAZDGPTKP-QZTJIDSGSA-N	1	0	372.517	1.292	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O	ZINC000922953439	887330999	/nfs/dbraw/zinc/33/09/99/887330999.db2.gz	BKAPHMIBNHSEDT-NGXVOCDNSA-N	1	0	351.491	1.356	20	30		FDEDRO
C#CCN(C(=O)N[C@H](C)c1ncc(C(=O)OC)s1)C1CC[NH+](C)CC1	ZINC000922962287	887606007	/nfs/dbraw/zinc/60/60/07/887606007.db2.gz	NPYIYJLERIJXJF-GFCCVEGCSA-N	1	0	364.471	1.730	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)CC1	ZINC000921339826	887710182	/nfs/dbraw/zinc/71/01/82/887710182.db2.gz	MWDWKGQFFGNLPV-UHFFFAOYSA-N	1	0	370.501	1.459	20	30		FDEDRO
C#CCC1(NC(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CCC1	ZINC000921362155	887749561	/nfs/dbraw/zinc/74/95/61/887749561.db2.gz	BNLCBEOTKPIBOI-UHFFFAOYSA-N	1	0	362.518	1.858	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCCc2ccc3c(c2)OCCO3)CC1	ZINC000921442097	888002238	/nfs/dbraw/zinc/00/22/38/888002238.db2.gz	FRCOOPJVKWSSBE-UHFFFAOYSA-N	1	0	357.454	1.787	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@@H](C(=O)OC(C)(C)C)C(C)C)CC1	ZINC000923121459	888061350	/nfs/dbraw/zinc/06/13/50/888061350.db2.gz	ZNPMENUVVBIBBS-MRXNPFEDSA-N	1	0	351.491	1.997	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)C[C@H]1OC	ZINC001212257799	888070874	/nfs/dbraw/zinc/07/08/74/888070874.db2.gz	IVJDYWUIMJUUJE-CDHQVMDDSA-N	1	0	367.449	1.589	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)sc2C)C[C@H]1OC	ZINC001212258076	888075688	/nfs/dbraw/zinc/07/56/88/888075688.db2.gz	MYJHHHYWFHBKHL-IAGOWNOFSA-N	1	0	350.484	1.720	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)c3ccc(CC)cc3)C[C@@H]2O)C1	ZINC001083762406	888104241	/nfs/dbraw/zinc/10/42/41/888104241.db2.gz	IVAHCNWMYMXALT-QRVBRYPASA-N	1	0	358.482	1.800	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(F)cc2C)C[C@H]1C	ZINC001106902108	888150352	/nfs/dbraw/zinc/15/03/52/888150352.db2.gz	YWJWLKXMTOFOKH-OWCLPIDISA-N	1	0	359.445	1.570	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(F)cc2C)C[C@H]1C	ZINC001106902107	888150776	/nfs/dbraw/zinc/15/07/76/888150776.db2.gz	YWJWLKXMTOFOKH-BZUAXINKSA-N	1	0	359.445	1.570	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](C[C@@H](Cc3ccccc3)OC)C[C@@H]2O)C1	ZINC001083763447	888200114	/nfs/dbraw/zinc/20/01/14/888200114.db2.gz	LHHFPCHHEJMNRV-QRVBRYPASA-N	1	0	358.482	1.762	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC2CCC(F)(F)CC2)C[C@H]1OC	ZINC001212264672	888246397	/nfs/dbraw/zinc/24/63/97/888246397.db2.gz	NNRODNRXHQTIQK-FVQBIDKESA-N	1	0	358.429	1.666	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1	ZINC000938402011	888589203	/nfs/dbraw/zinc/58/92/03/888589203.db2.gz	KVOSVFRXGPZVBR-BBWFWOEESA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+]([C@H]2CCN(C(C)C)C2=O)CC1	ZINC001006023752	888759744	/nfs/dbraw/zinc/75/97/44/888759744.db2.gz	XYOOMLKCPCEISJ-SQNIBIBYSA-N	1	0	363.502	1.510	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC2CCN(C(=O)[C@@H]3C[C@H]3C3CCC3)CC2)CC1	ZINC000946884704	888761279	/nfs/dbraw/zinc/76/12/79/888761279.db2.gz	DPFCPPDUVQHJAW-VQTJNVASSA-N	1	0	371.525	1.875	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2	ZINC000923336742	888937471	/nfs/dbraw/zinc/93/74/71/888937471.db2.gz	JKSOECSFFLPTTG-RTBURBONSA-N	1	0	355.482	1.972	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2cnc(N(C)C)cn2)[C@H](OC)C1	ZINC001212279354	889249527	/nfs/dbraw/zinc/24/95/27/889249527.db2.gz	JQODJWZIQDWKFD-IAGOWNOFSA-N	1	0	361.490	1.718	20	30		FDEDRO
C#CCN(C(=O)NCc1ccc2oc(=O)n(C)c2c1)C1CC[NH+](C)CC1	ZINC000923456545	889291505	/nfs/dbraw/zinc/29/15/05/889291505.db2.gz	PNKYKLBTZUUPIN-UHFFFAOYSA-N	1	0	356.426	1.371	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C[C@H](C)O)C2CCCCC2)CC1	ZINC000245961479	889364836	/nfs/dbraw/zinc/36/48/36/889364836.db2.gz	DLEJYPLMZHYGSV-HKUYNNGSSA-N	1	0	364.534	1.694	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CC[NH+]([C@H]2CCN(C)C2=O)CC1	ZINC001006108090	889405153	/nfs/dbraw/zinc/40/51/53/889405153.db2.gz	KQVAMJHTAIABOH-BZSNNMDCSA-N	1	0	363.502	1.511	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N1C[C@H]2COCC[C@@]2(C(=O)OC)C1	ZINC000373798693	889598815	/nfs/dbraw/zinc/59/88/15/889598815.db2.gz	SPMLAWCPTLYREM-TXPKVOOTSA-N	1	0	358.394	1.284	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC[NH+]([C@H]2CCCN(C)C2=O)CC1	ZINC001006127760	889605315	/nfs/dbraw/zinc/60/53/15/889605315.db2.gz	NRASDHDMBRBDLY-BZSNNMDCSA-N	1	0	363.502	1.511	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nc1	ZINC000938968197	889720419	/nfs/dbraw/zinc/72/04/19/889720419.db2.gz	BVHCTXWSUCWLMZ-JENIJYKNSA-N	1	0	368.481	1.466	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCc2ccccc2NC1=O	ZINC001127609271	889739437	/nfs/dbraw/zinc/73/94/37/889739437.db2.gz	SPRSVRKJKBDJSB-NXHRZFHOSA-N	1	0	357.454	1.627	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2cc(OC)ncn2)[C@H](OC)C1	ZINC001212290038	889759988	/nfs/dbraw/zinc/75/99/88/889759988.db2.gz	RQFRDZHFFYTFLQ-HZPDHXFCSA-N	1	0	350.463	1.885	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c(F)cccc2Cl)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106911693	889794445	/nfs/dbraw/zinc/79/44/45/889794445.db2.gz	GBXQTEPTMQHULW-VXGBXAGGSA-N	1	0	366.824	1.417	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H](NC(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)C1	ZINC000923589984	889996715	/nfs/dbraw/zinc/99/67/15/889996715.db2.gz	NYJPHKHDSURGNH-ZPUOCTKUSA-N	1	0	367.453	1.533	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)CCn2c(=O)c3ccccc3[n-]c2=S)C1	ZINC000923586652	890021689	/nfs/dbraw/zinc/02/16/89/890021689.db2.gz	GDBIEUKWVMFYNU-AWEZNQCLSA-N	1	0	370.478	1.289	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1CN(CC(=O)N2CCCC[C@H]2C)C[C@H]1OC	ZINC001212325223	890149525	/nfs/dbraw/zinc/14/95/25/890149525.db2.gz	SCOYTBNWXDFZBE-BRWVUGGUSA-N	1	0	365.518	1.805	20	30		FDEDRO
C=CCc1cc(CNC(=O)c2[nH]nc3c2C[NH2+]CC3)cc(OC)c1OC	ZINC000446380598	890168643	/nfs/dbraw/zinc/16/86/43/890168643.db2.gz	MFFQLSUEEBQYOF-UHFFFAOYSA-N	1	0	356.426	1.731	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1(NC(=O)C[NH+](CC)CC)CCC1	ZINC001063186889	890281997	/nfs/dbraw/zinc/28/19/97/890281997.db2.gz	CSECONMXDCCXIO-WMZOPIPTSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(NC(=O)C2(C[NH+](C)C)CC2)CCC1	ZINC001063216515	890313734	/nfs/dbraw/zinc/31/37/34/890313734.db2.gz	AZMZRKMLTFKZBQ-CVEARBPZSA-N	1	0	363.502	1.465	20	30		FDEDRO
C#Cc1ccc(C(=O)NC2(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCC2)cn1	ZINC001063227157	890348371	/nfs/dbraw/zinc/34/83/71/890348371.db2.gz	FHWCFGPIHSPESF-ZWKOTPCHSA-N	1	0	368.481	1.562	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1CN(C[C@@H](C)CS(C)(=O)=O)C[C@H]1OC	ZINC001212340859	890456675	/nfs/dbraw/zinc/45/66/75/890456675.db2.gz	RSAMKAJFGPMWCQ-RBSFLKMASA-N	1	0	360.520	1.085	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1	ZINC000670892144	890466850	/nfs/dbraw/zinc/46/68/50/890466850.db2.gz	UVOHMPKJBJQHBN-MRXNPFEDSA-N	1	0	373.501	1.311	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC([C@@H](C)NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cn1	ZINC001006182032	890551300	/nfs/dbraw/zinc/55/13/00/890551300.db2.gz	GNMSRAASTWICMF-MDASCCDHSA-N	1	0	368.481	1.370	20	30		FDEDRO
CC(C)(C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C#N)c[nH]1)C2)[NH+]1CCCC1	ZINC001001903730	891549336	/nfs/dbraw/zinc/54/93/36/891549336.db2.gz	FAEUKPBGARYAKC-INMHGKMJSA-N	1	0	369.469	1.622	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C)C1	ZINC000939996370	891592927	/nfs/dbraw/zinc/59/29/27/891592927.db2.gz	RIMYYPAVYJPZPO-IXDOHACOSA-N	1	0	363.502	1.274	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(C#N)[nH]2)C3)C1	ZINC001002086410	891908759	/nfs/dbraw/zinc/90/87/59/891908759.db2.gz	UXWATIPDCLXKKA-WNOSKKOXSA-N	1	0	355.442	1.090	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C#N)[nH]1)C2	ZINC001002091004	891914506	/nfs/dbraw/zinc/91/45/06/891914506.db2.gz	RATWZXBPRPQNTO-SIXLDLHFSA-N	1	0	355.442	1.232	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c[nH]c(C#N)c2)C3)C1	ZINC001002142551	891980391	/nfs/dbraw/zinc/98/03/91/891980391.db2.gz	HWDPYSBOQCJFRN-ZACQAIPSSA-N	1	0	369.469	1.480	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001002150616	891994618	/nfs/dbraw/zinc/99/46/18/891994618.db2.gz	RSKPEKKDUOHQEN-BGTYHANMSA-N	1	0	363.502	1.273	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)CC[NH+]2CCCCC2)C1	ZINC001002202313	892149444	/nfs/dbraw/zinc/14/94/44/892149444.db2.gz	UOTQQVHCROBSKR-HKUYNNGSSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1CC(C)(C)C	ZINC001127680580	892511366	/nfs/dbraw/zinc/51/13/66/892511366.db2.gz	WPXYEUZEQHLYCD-HZSPNIEDSA-N	1	0	352.479	1.165	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)C)[C@H](C)C1	ZINC001106922803	892596958	/nfs/dbraw/zinc/59/69/58/892596958.db2.gz	NAAXBAXCDINDEW-VQIMIIECSA-N	1	0	355.482	1.419	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1	ZINC000672306845	892940790	/nfs/dbraw/zinc/94/07/90/892940790.db2.gz	BDPGPIOOCXAFEB-KRWDZBQOSA-N	1	0	357.454	1.468	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc3c(cn2)OCCC3)C[C@H]1C	ZINC001106928064	892983757	/nfs/dbraw/zinc/98/37/57/892983757.db2.gz	KIOMFUNPUWXMQH-NVXWUHKLSA-N	1	0	357.454	1.354	20	30		FDEDRO
N#Cc1sc(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)nc1Cl	ZINC000888411357	892987280	/nfs/dbraw/zinc/98/72/80/892987280.db2.gz	WHKIMXHSMSEVEG-UWVGGRQHSA-N	1	0	355.851	1.731	20	30		FDEDRO
CS(=O)(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(C#N)ccc1Br	ZINC000921927688	893024243	/nfs/dbraw/zinc/02/42/43/893024243.db2.gz	NCMRYLWUGMTMBU-CYBMUJFWSA-N	1	0	372.288	1.834	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CN(C)C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC001002556781	893208389	/nfs/dbraw/zinc/20/83/89/893208389.db2.gz	NSEHXSPNFJYBQR-SOLBZPMBSA-N	1	0	371.485	1.680	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCc3ccccc3C2)CC1	ZINC000672354681	893218767	/nfs/dbraw/zinc/21/87/67/893218767.db2.gz	IJBFYEVRYGJNTG-MRXNPFEDSA-N	1	0	355.482	1.674	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2CN(C)C(=O)[C@@H]2C[C@H]2C2CC2)CC1	ZINC001002593569	893335617	/nfs/dbraw/zinc/33/56/17/893335617.db2.gz	UKZMYBVTQJHDRO-SLFFLAALSA-N	1	0	371.525	1.827	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(C#N)c[nH]1	ZINC001002635009	893428345	/nfs/dbraw/zinc/42/83/45/893428345.db2.gz	WSUJDUIPGAPOMJ-LMSBXDPUSA-N	1	0	369.469	1.621	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(Cc3cc(C#N)ccc3F)C[C@H]21	ZINC001084232229	913784088	/nfs/dbraw/zinc/78/40/88/913784088.db2.gz	XNESFDHHTCVBSS-ATZDWAIDSA-N	1	0	356.445	1.824	20	30		FDEDRO
CC1(C)C[N@H+](Cc2ccc(C#N)cc2)CC[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O	ZINC000941035920	893656010	/nfs/dbraw/zinc/65/60/10/893656010.db2.gz	VIFPFRPPQCHZRN-IXDOHACOSA-N	1	0	354.454	1.396	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](OC)C1	ZINC001212458452	893704765	/nfs/dbraw/zinc/70/47/65/893704765.db2.gz	HBJMSWBDDHAGDI-IAGOWNOFSA-N	1	0	353.507	1.126	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)CC1(C)C	ZINC000941087974	893830420	/nfs/dbraw/zinc/83/04/20/893830420.db2.gz	SXDFAYHFLOMBAU-BQFCYCMXSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)COCc2ccnc(OC)c2)[C@H](OC)C1	ZINC001212463147	893946650	/nfs/dbraw/zinc/94/66/50/893946650.db2.gz	SMLCKPMXIHWTIK-IAGOWNOFSA-N	1	0	363.458	1.388	20	30		FDEDRO
N#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](C[C@@H](O)Cc4ccccc4)C[C@H]32)[nH]1	ZINC001084288584	913818329	/nfs/dbraw/zinc/81/83/29/913818329.db2.gz	ZYBQQBJBTMONRR-IMFGXOCKSA-N	1	0	364.449	1.636	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000922023739	894430892	/nfs/dbraw/zinc/43/08/92/894430892.db2.gz	MCNLZLRHKVHYDS-UHFFFAOYSA-N	1	0	355.391	1.452	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccsc1C(=O)OC	ZINC000922024775	894518969	/nfs/dbraw/zinc/51/89/69/894518969.db2.gz	CCWJBVUGTVTWTJ-UHFFFAOYSA-N	1	0	356.469	1.253	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1noc2c1CCCC2	ZINC000922026632	894545199	/nfs/dbraw/zinc/54/51/99/894545199.db2.gz	VIWYMNAQTLEIIR-UHFFFAOYSA-N	1	0	351.472	1.413	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1	ZINC000995151844	895070669	/nfs/dbraw/zinc/07/06/69/895070669.db2.gz	MGCQNWMTCNZRCT-KURKYZTESA-N	1	0	363.502	1.415	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)c2ccc3c[nH+]cn3c2)CC1	ZINC000941619239	895427525	/nfs/dbraw/zinc/42/75/25/895427525.db2.gz	KWARRXONSMOQIS-MSOLQXFVSA-N	1	0	368.437	1.600	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C[NH2+]CC#Cc1cccc(Cl)c1	ZINC001106959678	895442240	/nfs/dbraw/zinc/44/22/40/895442240.db2.gz	RAIWEKUGDFWOIW-NVXWUHKLSA-N	1	0	371.872	1.667	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C	ZINC001106960455	895541699	/nfs/dbraw/zinc/54/16/99/895541699.db2.gz	RAJZARFWSMGFLU-HZPDHXFCSA-N	1	0	366.506	1.535	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1	ZINC000941853043	895906693	/nfs/dbraw/zinc/90/66/93/895906693.db2.gz	WSPHDYQQQGLBFD-MGPQQGTHSA-N	1	0	357.882	1.059	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@H]2CC[N@@H+](C[C@@H](O)Cc3ccc(F)cc3)C[C@H]21	ZINC001084334008	914054668	/nfs/dbraw/zinc/05/46/68/914054668.db2.gz	KWWLIFVTBKQNKQ-YZGWKJHDSA-N	1	0	356.441	1.675	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C(CC)CC)C[C@H]2OC)CC1	ZINC000942128896	896431337	/nfs/dbraw/zinc/43/13/37/896431337.db2.gz	SONZUKHBNZOEJA-QZTJIDSGSA-N	1	0	363.502	1.110	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)CC1	ZINC000999983210	896508899	/nfs/dbraw/zinc/50/88/99/896508899.db2.gz	GNOXWPACLIJLQD-QYZOEREBSA-N	1	0	357.498	1.768	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3OCC[C@H]3C(C)C)nn2)C1	ZINC000999986988	896518381	/nfs/dbraw/zinc/51/83/81/896518381.db2.gz	MFFBPAADHAYXTF-BZSNNMDCSA-N	1	0	359.474	1.226	20	30		FDEDRO
COCCc1nc(C)c([C@@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)s1	ZINC001116460911	896825705	/nfs/dbraw/zinc/82/57/05/896825705.db2.gz	ATIDHSWSVKBGPJ-PTGFTAGUSA-N	1	0	364.471	1.817	20	30		FDEDRO
C=CCCC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@]34C[C@H]3COC4)C2)n1	ZINC001128106591	896959196	/nfs/dbraw/zinc/95/91/96/896959196.db2.gz	AABZSLQOWVKNRG-MDKPJZGXSA-N	1	0	370.497	1.869	20	30		FDEDRO
C#CC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@H]3OCC[C@H]3CC)C2)n1	ZINC001128107550	896966886	/nfs/dbraw/zinc/96/68/86/896966886.db2.gz	UCWUAGHEGNBEGU-AYBZRNKSSA-N	1	0	356.470	1.314	20	30		FDEDRO
C#CC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)n1	ZINC001128112528	897176559	/nfs/dbraw/zinc/17/65/59/897176559.db2.gz	LLEFUSKVIGYFDO-NSHGMRRFSA-N	1	0	368.481	1.314	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)C(=C)C)C[C@H]1OC	ZINC000942516439	897231086	/nfs/dbraw/zinc/23/10/86/897231086.db2.gz	DFHPVIGFPFMSLR-IXDOHACOSA-N	1	0	361.486	1.028	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3ccoc3)n[nH]2)C[C@H]1C	ZINC001106984249	897531141	/nfs/dbraw/zinc/53/11/41/897531141.db2.gz	FGXQWZOIWGJMEQ-UKRRQHHQSA-N	1	0	371.441	1.270	20	30		FDEDRO
CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1O	ZINC001078018374	897607741	/nfs/dbraw/zinc/60/77/41/897607741.db2.gz	YDGPBYARTMQEAF-NVXWUHKLSA-N	1	0	371.466	1.056	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)nc[nH]c3=O)C[C@H]1C	ZINC001106986699	897623644	/nfs/dbraw/zinc/62/36/44/897623644.db2.gz	AJIJDCQIYFGJQN-GDBMZVCRSA-N	1	0	368.437	1.283	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1	ZINC000995266898	897630964	/nfs/dbraw/zinc/63/09/64/897630964.db2.gz	NTISDANOTIGJQX-NZSAHSFTSA-N	1	0	368.481	1.280	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCC(F)(F)C3)C[C@H]2O)cn1	ZINC001078032339	897676000	/nfs/dbraw/zinc/67/60/00/897676000.db2.gz	JFRPUEADWPAWIR-IAOVAPTHSA-N	1	0	363.408	1.663	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC000995272294	897690336	/nfs/dbraw/zinc/69/03/36/897690336.db2.gz	KQQSZCDJYXTSDL-KURKYZTESA-N	1	0	356.470	1.430	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cncnc2CC)C[C@H]1C	ZINC001106989291	897776082	/nfs/dbraw/zinc/77/60/82/897776082.db2.gz	MSGRWVZLMKNBDM-RBSFLKMASA-N	1	0	359.474	1.027	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](C[C@@H](O)Cc2ccccc2)C1	ZINC001032047763	897777908	/nfs/dbraw/zinc/77/79/08/897777908.db2.gz	MEBYIUNMMMRANZ-UFYCRDLUSA-N	1	0	358.482	1.619	20	30		FDEDRO
C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@]3(CNC(=O)c4c[nH]c(C#N)c4)CCC[C@@H]23)C1	ZINC000995279480	897790854	/nfs/dbraw/zinc/79/08/54/897790854.db2.gz	WIVVNAVJKIWQKX-WIBUTAKZSA-N	1	0	369.469	1.339	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000943168352	898461874	/nfs/dbraw/zinc/46/18/74/898461874.db2.gz	ZPMCNLBOAJNRCJ-FVQBIDKESA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2conc2C)C1	ZINC001078402689	898735138	/nfs/dbraw/zinc/73/51/38/898735138.db2.gz	VIJFBVMAGABKSC-KSZLIROESA-N	1	0	363.458	1.671	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cccnc2C)C1	ZINC001078472406	898803992	/nfs/dbraw/zinc/80/39/92/898803992.db2.gz	WUXWQSMKXODSJU-OTWHNJEPSA-N	1	0	359.470	1.688	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2conc2C)C1	ZINC001078484573	898834868	/nfs/dbraw/zinc/83/48/68/898834868.db2.gz	MYDZYJGXAOUBFG-BZSNNMDCSA-N	1	0	363.458	1.671	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccc(S(=O)(=O)CC)cc2)CC1	ZINC000921823470	898879896	/nfs/dbraw/zinc/87/98/96/898879896.db2.gz	DHWATZFWCKARMC-UHFFFAOYSA-N	1	0	363.483	1.377	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)CC2)CC[N@@H+]1C	ZINC000943682647	899201472	/nfs/dbraw/zinc/20/14/72/899201472.db2.gz	BHKFKQTZXVROGJ-UOVPBQLFSA-N	1	0	371.485	1.774	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)CSCC#N)CC3)CC[N@@H+]1C	ZINC001061022209	899285664	/nfs/dbraw/zinc/28/56/64/899285664.db2.gz	HSHWXRJWUJGJHR-HUUCEWRRSA-N	1	0	364.515	1.034	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C[NH2+]CC(=O)NCC1CC1	ZINC001107017057	899553313	/nfs/dbraw/zinc/55/33/13/899553313.db2.gz	NBKLROXTCUDIFV-YLJYHZDGSA-N	1	0	367.493	1.639	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCO[C@H]3c3cnn(C)c3)[C@@H]2C1	ZINC001084418520	914383890	/nfs/dbraw/zinc/38/38/90/914383890.db2.gz	CPILPSFQFFCKFM-OWYHZJEWSA-N	1	0	358.486	1.997	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCO[C@H]3c3cnn(C)c3)[C@@H]2C1	ZINC001084418596	914384834	/nfs/dbraw/zinc/38/48/34/914384834.db2.gz	HIOKJCJLUCHPBP-OWYHZJEWSA-N	1	0	358.486	1.997	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C[NH2+]CCC2CC2)[C@H](C)C1	ZINC001107036871	900035218	/nfs/dbraw/zinc/03/52/18/900035218.db2.gz	UHCBUIAUXCQOJO-GDBMZVCRSA-N	1	0	350.507	1.734	20	30		FDEDRO
Cc1cccc2cc(C(=O)N3C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C3)oc21	ZINC001107043143	900062647	/nfs/dbraw/zinc/06/26/47/900062647.db2.gz	JMCRFMUHWBBRRI-GDBMZVCRSA-N	1	0	368.437	1.679	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2OC)cc1	ZINC000944337348	900172704	/nfs/dbraw/zinc/17/27/04/900172704.db2.gz	PNPCRAQONWYUQZ-QZTJIDSGSA-N	1	0	369.465	1.108	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3c3ccnn3CC)[C@@H]2C1	ZINC001084423305	914423865	/nfs/dbraw/zinc/42/38/65/914423865.db2.gz	DGOWYLIQQRYJQO-PSBWJHGTSA-N	1	0	356.470	1.537	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]Cc2ccc3c(c2)nnn3C)[C@H](C)C1	ZINC001107059031	900308710	/nfs/dbraw/zinc/30/87/10/900308710.db2.gz	NSDHBFXDILUCFN-NVXWUHKLSA-N	1	0	371.485	1.745	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COc3ccccc32)C[C@H]1C	ZINC001107079315	900549796	/nfs/dbraw/zinc/54/97/96/900549796.db2.gz	XLSFFPWODOJQNA-BFYDXBDKSA-N	1	0	357.454	1.149	20	30		FDEDRO
C[C@@H]1CN(C(=O)CO[NH+]=C(N)c2ccc(N3CCCCC3)cc2)CCO1	ZINC000072921481	900563668	/nfs/dbraw/zinc/56/36/68/900563668.db2.gz	PYFPBUNJSACRRW-OAHLLOKOSA-N	1	0	360.458	1.561	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC2CCC(OC)CC2)C[C@H]1C	ZINC001107094553	900829944	/nfs/dbraw/zinc/82/99/44/900829944.db2.gz	IIYYXNQJLYKEIK-RZZCCWGQSA-N	1	0	363.502	1.015	20	30		FDEDRO
C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@H](C#N)c2ccc(Br)cc2)C1	ZINC000900112168	900935933	/nfs/dbraw/zinc/93/59/33/900935933.db2.gz	SYPGEPGPBDOKAG-GDBMZVCRSA-N	1	0	366.259	1.977	20	30		FDEDRO
C[NH+]=C(NCC(=O)NCc1ccco1)N1CCN(c2ccccc2F)CC1	ZINC000072990180	900970924	/nfs/dbraw/zinc/97/09/24/900970924.db2.gz	AUJQNCNTAXYBJJ-UHFFFAOYSA-N	1	0	373.432	1.433	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)CCC2CCOCC2)[C@@H](n2ccnn2)C1	ZINC001129300978	900973711	/nfs/dbraw/zinc/97/37/11/900973711.db2.gz	LXENHAXXZWRRMD-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](OC)C2CCCCC2)C[C@H]1C	ZINC001107104329	901183097	/nfs/dbraw/zinc/18/30/97/901183097.db2.gz	YAFKBNJGFRHPDR-SZVBFZGTSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(NC(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000995671084	901306509	/nfs/dbraw/zinc/30/65/09/901306509.db2.gz	RCYBQNUOUMBREL-ROUUACIJSA-N	1	0	368.437	1.646	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(CCC[NH+]2CCN(c3ccccc3)CC2)C1=O	ZINC000348490143	901316912	/nfs/dbraw/zinc/31/69/12/901316912.db2.gz	HEVWOLXCBGEIHS-GOSISDBHSA-N	1	0	372.469	1.322	20	30		FDEDRO
C#Cc1cncc(C(=O)NCC2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC2)c1	ZINC001064462692	901318576	/nfs/dbraw/zinc/31/85/76/901318576.db2.gz	CPTFQRSVYFLTGP-RHSMWYFYSA-N	1	0	354.454	1.172	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCCN(c2nccnc2C#N)C3)CC[N@@H+]1C	ZINC001064571478	901391034	/nfs/dbraw/zinc/39/10/34/901391034.db2.gz	ZSBQMEIATLMTHI-JXXFODFXSA-N	1	0	368.485	1.507	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1(CNC(=O)C[N@H+]2CCC[C@@H]2C)CCC1	ZINC001064548169	901400354	/nfs/dbraw/zinc/40/03/54/901400354.db2.gz	SSVLIZWVDOKROT-BBWFWOEESA-N	1	0	363.502	1.607	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CCN(c4cncc(C#N)n4)C3)C2)CC[N@@H+]1C	ZINC001064650237	901519408	/nfs/dbraw/zinc/51/94/08/901519408.db2.gz	RYNZCWOKYIQQAS-SQGPQFPESA-N	1	0	368.485	1.507	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2CN(c3ccc(C#N)cn3)C[C@H]21	ZINC001090340623	901757555	/nfs/dbraw/zinc/75/75/55/901757555.db2.gz	JPQPEXSVXNODDK-GVDBMIGSSA-N	1	0	359.449	1.670	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@H]4CCC(=O)NC4)[C@@H]3C2)cc1	ZINC001084399989	914569205	/nfs/dbraw/zinc/56/92/05/914569205.db2.gz	FCXQSAITGWNXHP-GUDVDZBRSA-N	1	0	366.465	1.507	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2ccc(C#N)nc2)CC[N@@H+]1C	ZINC001065171243	901883743	/nfs/dbraw/zinc/88/37/43/901883743.db2.gz	QYXJLIKNMIIRLT-SKWUIDRYSA-N	1	0	353.470	1.863	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001065160990	901890286	/nfs/dbraw/zinc/89/02/86/901890286.db2.gz	JWQHCYFQQBPTLS-BZUAXINKSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2c[nH]c(C)n2)C1	ZINC001079129803	901935820	/nfs/dbraw/zinc/93/58/20/901935820.db2.gz	HXZVXAQCIYQYNN-RTBURBONSA-N	1	0	354.454	1.982	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cc(C)n(C)n2)C1	ZINC001079129865	901937384	/nfs/dbraw/zinc/93/73/84/901937384.db2.gz	LHDGKVCTUMIOJQ-WOJBJXKFSA-N	1	0	366.465	1.439	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+]CCn2cncn2)C1	ZINC001079149892	901980746	/nfs/dbraw/zinc/98/07/46/901980746.db2.gz	QRQNRVZFNSMAOF-JCGIZDLHSA-N	1	0	370.432	1.551	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2OCCO[C@H]2C)C1	ZINC001079136806	902008504	/nfs/dbraw/zinc/00/85/04/902008504.db2.gz	DIQGDQCGTISZQN-NBYUQASBSA-N	1	0	374.481	1.440	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1c1cccc(F)c1	ZINC001079176275	902060031	/nfs/dbraw/zinc/06/00/31/902060031.db2.gz	BTTODCVXZAOBSU-JKSUJKDBSA-N	1	0	355.417	1.972	20	30		FDEDRO
C=C1CC(C)(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH2+]CC(N)=O)C2)C1	ZINC001079157822	902077549	/nfs/dbraw/zinc/07/75/49/902077549.db2.gz	CUZYLQXYJSUSNY-DLBZAZTESA-N	1	0	359.445	1.941	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)CC[C@H]1c1ccc(F)cc1	ZINC001079158198	902078686	/nfs/dbraw/zinc/07/86/86/902078686.db2.gz	XDQSKZRIIYCCPH-SQGPQFPESA-N	1	0	359.445	1.812	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2cn[nH]n2)CC[C@H]1c1ccc(F)cc1	ZINC001079159104	902080309	/nfs/dbraw/zinc/08/03/09/902080309.db2.gz	KIMQZONQMVHRDD-ZWKOTPCHSA-N	1	0	355.417	1.484	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COC2CCOCC2)C[C@H]1c1cccc(F)c1	ZINC001079200671	902100829	/nfs/dbraw/zinc/10/08/29/902100829.db2.gz	DVOIQTOVJOYMQB-RBUKOAKNSA-N	1	0	360.429	1.539	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)C[C@H]1c1cccc(F)c1	ZINC001079202216	902103009	/nfs/dbraw/zinc/10/30/09/902103009.db2.gz	SFNDAXRHGZJVQO-FGTMMUONSA-N	1	0	359.445	1.955	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C)C2)C[C@H]1c1cccc(F)c1	ZINC001079205762	902109703	/nfs/dbraw/zinc/10/97/03/902109703.db2.gz	DHYQWMBCNPZDDR-FHLIZLRMSA-N	1	0	359.445	1.764	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@H]1c1cccc(F)c1	ZINC001079207078	902112669	/nfs/dbraw/zinc/11/26/69/902112669.db2.gz	NAWFCMODZSBZKD-ZWKOTPCHSA-N	1	0	355.413	1.908	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)cc2)C[C@H]1c1cccc(F)c1	ZINC001079209365	902117025	/nfs/dbraw/zinc/11/70/25/902117025.db2.gz	BXOCGXMDHIKTQF-RBUKOAKNSA-N	1	0	365.408	1.756	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@H]1c1cccc(F)c1	ZINC001079189410	902141477	/nfs/dbraw/zinc/14/14/77/902141477.db2.gz	NTICSHFFOITEPB-ZWKOTPCHSA-N	1	0	359.445	1.908	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)C[C@H]1c1cccc(F)c1	ZINC001079195498	902159353	/nfs/dbraw/zinc/15/93/53/902159353.db2.gz	YACZFWFGICOPBY-QKLQHJQFSA-N	1	0	357.429	1.259	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)C[C@@](C)(O)C3CC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079235872	902176126	/nfs/dbraw/zinc/17/61/26/902176126.db2.gz	WKUKHYPFPUSSMN-NLWGTHIKSA-N	1	0	360.498	1.500	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cc(OC)ncn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079241777	902193491	/nfs/dbraw/zinc/19/34/91/902193491.db2.gz	BPUZGEQLYNDUKV-DOTOQJQBSA-N	1	0	370.453	1.062	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3ccc(C)nn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079241435	902193900	/nfs/dbraw/zinc/19/39/00/902193900.db2.gz	XGGCUAOCRWMIBI-FUHWJXTLSA-N	1	0	356.470	1.914	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCc4cn[nH]c43)[C@@H]3COC[C@@H]32)CC1	ZINC001079241938	902195197	/nfs/dbraw/zinc/19/51/97/902195197.db2.gz	KKVYHSCAPXYLHV-OKZBNKHCSA-N	1	0	370.497	1.955	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cnc(C)cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079221163	902220403	/nfs/dbraw/zinc/22/04/03/902220403.db2.gz	QJPLHCIBAFSPOB-FUHWJXTLSA-N	1	0	354.454	1.361	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3cc(C)n(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079227250	902239859	/nfs/dbraw/zinc/23/98/59/902239859.db2.gz	JXMMGZOOPDOZBK-FUHWJXTLSA-N	1	0	358.486	1.858	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC2(CC[NH+](Cc3ccns3)CC2)[C@H]2COC[C@H]21	ZINC001079228514	902244493	/nfs/dbraw/zinc/24/44/93/902244493.db2.gz	PCOOMWYKXLBHSY-CWRNSKLLSA-N	1	0	360.483	1.742	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cn4c(n3)CCCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079244945	902251463	/nfs/dbraw/zinc/25/14/63/902251463.db2.gz	NWXSITOHVPBRSY-FUHWJXTLSA-N	1	0	368.481	1.406	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cc4n(n3)CCO4)[C@@H]3COC[C@@H]32)CC1	ZINC001079245770	902255340	/nfs/dbraw/zinc/25/53/40/902255340.db2.gz	GXYOTYGEFVZNOG-GOEBONIOSA-N	1	0	358.442	1.015	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3ccc(=O)n(C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079249996	902267242	/nfs/dbraw/zinc/26/72/42/902267242.db2.gz	FZMSQVMSSUXHML-ZWKOTPCHSA-N	1	0	371.481	1.514	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3Cc4ccccc4O3)[C@@H]3COC[C@@H]32)CC1	ZINC001079251072	902270821	/nfs/dbraw/zinc/27/08/21/902270821.db2.gz	DRQLOEOHROFCSQ-NSHGMRRFSA-N	1	0	366.461	1.563	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ccc(OC)nc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079251476	902273099	/nfs/dbraw/zinc/27/30/99/902273099.db2.gz	ZFDBNBQDRNCKDX-DLBZAZTESA-N	1	0	355.438	1.276	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079254050	902276858	/nfs/dbraw/zinc/27/68/58/902276858.db2.gz	KAODQAGEXFTTHM-VXIBKDFQSA-N	1	0	370.497	1.649	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cc(OC)ccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079254739	902282459	/nfs/dbraw/zinc/28/24/59/902282459.db2.gz	RZDSKAGBBXJOGH-PKOBYXMFSA-N	1	0	369.465	1.667	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cc(C)nc(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079265456	902310963	/nfs/dbraw/zinc/31/09/63/902310963.db2.gz	JZVZOZSYWMNTDT-PKOBYXMFSA-N	1	0	368.481	1.670	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH]cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079265626	902312286	/nfs/dbraw/zinc/31/22/86/902312286.db2.gz	STENEOUOGCVLHY-YTQUADARSA-N	1	0	370.497	1.551	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CN(C(=O)Cc3ncc[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079268409	902321170	/nfs/dbraw/zinc/32/11/70/902321170.db2.gz	ZFFMINWXPGTUSJ-DLBZAZTESA-N	1	0	358.486	1.858	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cn(C(C)C)nc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079270126	902327704	/nfs/dbraw/zinc/32/77/04/902327704.db2.gz	CAZFSOPVRPMBFN-RBUKOAKNSA-N	1	0	370.497	1.959	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3cccn(C)c3=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079270264	902328334	/nfs/dbraw/zinc/32/83/34/902328334.db2.gz	JWVYPXYPDVLOOA-ZWKOTPCHSA-N	1	0	371.481	1.514	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H](C)Cn3ccc(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079242550	902339192	/nfs/dbraw/zinc/33/91/92/902339192.db2.gz	ZTKDYFCZZOHCLJ-YTQUADARSA-N	1	0	370.497	1.400	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1c1ccccc1F	ZINC001079299476	902343713	/nfs/dbraw/zinc/34/37/13/902343713.db2.gz	SDNRFOYZUMJYPU-FUHWJXTLSA-N	1	0	355.413	1.908	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)cn2C)C[C@H]1c1ccccc1F	ZINC001079301570	902349741	/nfs/dbraw/zinc/34/97/41/902349741.db2.gz	DFKNPIVENJOHIN-DOTOQJQBSA-N	1	0	368.412	1.094	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCc4c[nH]nc4C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079274552	902356348	/nfs/dbraw/zinc/35/63/48/902356348.db2.gz	VFHOOHHZWOTGAI-VDZJLULYSA-N	1	0	368.481	1.087	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H](C)c3cnn(C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079276569	902361911	/nfs/dbraw/zinc/36/19/11/902361911.db2.gz	QIMFAWLFFIZKPQ-RYQLBKOJSA-N	1	0	356.470	1.096	20	30		FDEDRO
CN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2c2ccccc2F)C1=O	ZINC001079294902	902396283	/nfs/dbraw/zinc/39/62/83/902396283.db2.gz	CRPBCLMWNNLWPW-QXAKKESOSA-N	1	0	369.440	1.354	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@H]1c1ccccc1F	ZINC001079298679	902404746	/nfs/dbraw/zinc/40/47/46/902404746.db2.gz	AGKNATIXOAMOEC-OAFZBRQQSA-N	1	0	352.413	1.870	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc3cccnn32)C[C@H]1c1ccccc1F	ZINC001079314751	902409249	/nfs/dbraw/zinc/40/92/49/902409249.db2.gz	JMLVFOSWQBICNZ-DOTOQJQBSA-N	1	0	363.396	1.699	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)N2CCOCC2)C[C@H]1c1ccccc1F	ZINC001079325808	902429483	/nfs/dbraw/zinc/42/94/83/902429483.db2.gz	MJNISTSTRGCMAI-VDZJLULYSA-N	1	0	361.461	1.616	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(OC)cn2)C[C@H]1c1ccccc1F	ZINC001079308501	902441781	/nfs/dbraw/zinc/44/17/81/902441781.db2.gz	JDMZDZAPGOUFIK-AZUAARDMSA-N	1	0	367.424	1.989	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccc(=O)[nH]n3)C2)cc1C#N	ZINC001079382854	902495633	/nfs/dbraw/zinc/49/56/33/902495633.db2.gz	RKDAUNDPADLNKS-MLGOLLRUSA-N	1	0	367.409	1.313	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)Cn3cccn3)C2)cc1C#N	ZINC001079423333	902541406	/nfs/dbraw/zinc/54/14/06/902541406.db2.gz	COQTWYFHMYUXCV-RHSMWYFYSA-N	1	0	353.426	1.400	20	30		FDEDRO
Cc1ncncc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1C	ZINC001079445547	902617132	/nfs/dbraw/zinc/61/71/32/902617132.db2.gz	DTHKWIXZRDTQEH-AUUYWEPGSA-N	1	0	365.437	1.938	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)Cc1cnn(C)c1	ZINC001079472965	902651845	/nfs/dbraw/zinc/65/18/45/902651845.db2.gz	RHDHGOQRYVTOBR-DNVCBOLYSA-N	1	0	367.453	1.502	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]([NH2+]Cc3ccccc3C#N)C(C)(C)C2)O1	ZINC000995960393	902794145	/nfs/dbraw/zinc/79/41/45/902794145.db2.gz	TUBQOICZXGNNOI-LZQZEXGQSA-N	1	0	370.497	1.604	20	30		FDEDRO
Cc1cc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]2C)[nH]n1	ZINC001079559621	902803796	/nfs/dbraw/zinc/80/37/96/902803796.db2.gz	SHJADFRSDQYNNS-AUUYWEPGSA-N	1	0	367.453	1.800	20	30		FDEDRO
C[C@@H]1C[N@@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC001079600975	902899391	/nfs/dbraw/zinc/89/93/91/902899391.db2.gz	BJUVOHQGJSVRQF-WQVCFCJDSA-N	1	0	357.458	1.336	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@H]1OCCO[C@H]1C	ZINC001079883802	903615227	/nfs/dbraw/zinc/61/52/27/903615227.db2.gz	XNTJVYYXTKZBTQ-OHQAAIJDSA-N	1	0	373.453	1.329	20	30		FDEDRO
COCCn1nccc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C	ZINC001079929217	903732840	/nfs/dbraw/zinc/73/28/40/903732840.db2.gz	SMMIDAJZEMFSIS-CRAIPNDOSA-N	1	0	367.453	1.651	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(CC)C(=O)C[N@H+](C)C(C)C)C1	ZINC001079931543	903737785	/nfs/dbraw/zinc/73/77/85/903737785.db2.gz	XZZPHQNTPKACAV-WMZOPIPTSA-N	1	0	351.491	1.367	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2	ZINC000996537859	904066759	/nfs/dbraw/zinc/06/67/59/904066759.db2.gz	IGPOFXOCWNMEMM-YRPNKDGESA-N	1	0	365.477	1.410	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[NH+]2CCCC2)C3)nc1	ZINC000996560430	904172368	/nfs/dbraw/zinc/17/23/68/904172368.db2.gz	QOYLASQSDVDKKR-NJAFHUGGSA-N	1	0	352.438	1.020	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)/C=C\c3ccco3)CCC[C@@H]12	ZINC001107262318	904197041	/nfs/dbraw/zinc/19/70/41/904197041.db2.gz	PUKJVIHUGJJZOV-FOVLHFFESA-N	1	0	356.426	1.293	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+][C@@H]2CCN(C(C)C)C2=O)CC1	ZINC000996600336	904312840	/nfs/dbraw/zinc/31/28/40/904312840.db2.gz	IIEFHWGYLGWRGF-KURKYZTESA-N	1	0	363.502	1.558	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cn(C(C)C)nn2)CC1	ZINC000996602084	904322543	/nfs/dbraw/zinc/32/25/43/904322543.db2.gz	XALMYCDTKDGANJ-MSOLQXFVSA-N	1	0	361.490	1.921	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C(C)C)CCC[C@@H]12	ZINC001107284487	904330097	/nfs/dbraw/zinc/33/00/97/904330097.db2.gz	DKTVZQUJWIEDQZ-RDTXWAMCSA-N	1	0	350.463	1.015	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)OC)CCC[C@@H]12	ZINC001107309826	904408678	/nfs/dbraw/zinc/40/86/78/904408678.db2.gz	RZTBLYYJLVWHAI-MBOZVWFJSA-N	1	0	363.502	1.583	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCOC)CC2	ZINC001107317795	904441745	/nfs/dbraw/zinc/44/17/45/904441745.db2.gz	BGXHGOSASAPSEU-QWFCFKBJSA-N	1	0	368.518	1.991	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCCCC)CC2	ZINC001107330872	904462846	/nfs/dbraw/zinc/46/28/46/904462846.db2.gz	RDXXXTFLSISHAR-VQIMIIECSA-N	1	0	351.491	1.466	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@@H+]([C@H]1CCN(CC=C)C1=O)CC2	ZINC001107329271	904493405	/nfs/dbraw/zinc/49/34/05/904493405.db2.gz	OCWSTTXTOMIRQO-SQGPQFPESA-N	1	0	361.486	1.337	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccc(C(N)=O)cc1)CC2	ZINC001107329154	904493604	/nfs/dbraw/zinc/49/36/04/904493604.db2.gz	KDRJYZNHKDCFMD-JNAXZKDPSA-N	1	0	354.454	1.806	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccoc3Cl)CCC[C@@H]12	ZINC001107377555	904617412	/nfs/dbraw/zinc/61/74/12/904617412.db2.gz	SKLWKMVEROLNKK-RDTXWAMCSA-N	1	0	363.845	1.657	20	30		FDEDRO
CNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccc(C#N)cc1)CC2	ZINC001107378725	904620821	/nfs/dbraw/zinc/62/08/21/904620821.db2.gz	JJJUTBPHGHKXNR-YLJYHZDGSA-N	1	0	354.454	1.555	20	30		FDEDRO
C#CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+]([C@H]1CCN(CC=C)C1=O)CC2	ZINC001107383705	904656598	/nfs/dbraw/zinc/65/65/98/904656598.db2.gz	DBZGCPGNHLKSMX-WAOWUJCRSA-N	1	0	357.498	1.938	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3ncc[nH]3)CCC[C@@H]12	ZINC001107386480	904669999	/nfs/dbraw/zinc/66/99/99/904669999.db2.gz	RGQKBDJYZNWUAO-DNVCBOLYSA-N	1	0	359.474	1.005	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1	ZINC000764457995	904710927	/nfs/dbraw/zinc/71/09/27/904710927.db2.gz	YTKHSLHUDNAZKF-KRWDZBQOSA-N	1	0	351.878	1.947	20	30		FDEDRO
CC(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@@H]1CCS(=O)(=O)C1)CC2	ZINC001107396677	904711179	/nfs/dbraw/zinc/71/11/79/904711179.db2.gz	GXRUGBNEACILDM-YQVWRLOYSA-N	1	0	366.527	1.441	20	30		FDEDRO
CO[C@@H]1CN(Cc2cc(C)ccc2F)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC001081507028	904718019	/nfs/dbraw/zinc/71/80/19/904718019.db2.gz	BDGXZOZJWACJND-QZTJIDSGSA-N	1	0	356.401	1.963	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3(C(F)F)CC3)CCC[C@@H]12	ZINC001107405561	904757991	/nfs/dbraw/zinc/75/79/91/904757991.db2.gz	WIJIWNBNDLJIJL-CXAGYDPISA-N	1	0	355.429	1.695	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCc4n[nH]cc43)CCC[C@@H]12	ZINC001107407575	904763171	/nfs/dbraw/zinc/76/31/71/904763171.db2.gz	ASUPAYNHNCFACR-OZOXKJRCSA-N	1	0	370.497	1.840	20	30		FDEDRO
C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(C)C(C)C)CC2	ZINC001107401744	904782431	/nfs/dbraw/zinc/78/24/31/904782431.db2.gz	BAMXGLYHYMTCQB-MBOZVWFJSA-N	1	0	363.502	1.252	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107419051	904797895	/nfs/dbraw/zinc/79/78/95/904797895.db2.gz	CSTUAFGJGHJOHF-RDTXWAMCSA-N	1	0	366.893	1.766	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3cccn4nnnc34)CCC[C@@H]12	ZINC001107419484	904800074	/nfs/dbraw/zinc/80/00/74/904800074.db2.gz	YOSBJTHAAPERPF-VQIMIIECSA-N	1	0	370.457	1.301	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)CN3C(=O)CC(C)(C)C3=O)CCC[C@@H]12	ZINC001107410760	904803345	/nfs/dbraw/zinc/80/33/45/904803345.db2.gz	PVQHAHZCLCKEQG-FOIQADDNSA-N	1	0	361.486	1.708	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(CC)ccn3)CCC[C@@H]12	ZINC001107414807	904826458	/nfs/dbraw/zinc/82/64/58/904826458.db2.gz	TUECHDJNSCEIFQ-WIYYLYMNSA-N	1	0	368.481	1.368	20	30		FDEDRO
C=C(C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCN(C)S(C)(=O)=O)CC2	ZINC001107424518	904830509	/nfs/dbraw/zinc/83/05/09/904830509.db2.gz	RWVHZJDMRBCISS-SJLPKXTDSA-N	1	0	371.547	1.595	20	30		FDEDRO
C=C(C)[C@H](CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC)CC2)OCC	ZINC001107425798	904842113	/nfs/dbraw/zinc/84/21/13/904842113.db2.gz	QORWQHYPBIVUFF-SQGPQFPESA-N	1	0	365.518	1.855	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](Cn3cccn3)N(C)C)CCC[C@@H]12	ZINC001107436418	904901986	/nfs/dbraw/zinc/90/19/86/904901986.db2.gz	YXLVFNMYJSXNJT-QWFCFKBJSA-N	1	0	357.502	1.197	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](Cn3cccn3)N(C)C)CCC[C@@H]12	ZINC001107436403	904902225	/nfs/dbraw/zinc/90/22/25/904902225.db2.gz	YKIOXARXTKPMFH-QWFCFKBJSA-N	1	0	359.518	1.750	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cccn3CC=C)CCC[C@@H]12	ZINC001107437051	904907952	/nfs/dbraw/zinc/90/79/52/904907952.db2.gz	ZMOCXNYWTPFNGJ-WIYYLYMNSA-N	1	0	368.481	1.398	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1OC	ZINC001081694255	904922180	/nfs/dbraw/zinc/92/21/80/904922180.db2.gz	TWAMQYFWOQHJAU-LVQVYYBASA-N	1	0	358.429	1.828	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CCC[C@@H]12	ZINC001107441052	904926163	/nfs/dbraw/zinc/92/61/63/904926163.db2.gz	JEFWDWBYVYCFEA-QQTQMKHKSA-N	1	0	356.470	1.524	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CCN(C)C3=O)CCC[C@@H]12	ZINC001107446313	904954809	/nfs/dbraw/zinc/95/48/09/904954809.db2.gz	FWGHBQQWPNWNIT-IIDMSEBBSA-N	1	0	353.894	1.968	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)CC3CS(=O)(=O)C3)CCC[C@@H]12	ZINC001107458436	904978333	/nfs/dbraw/zinc/97/83/33/904978333.db2.gz	BVNDYHVDYARZFW-SJLPKXTDSA-N	1	0	354.516	1.748	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CC#Cc3ccccc3)C[C@H]2OC)CC[N@@H+]1C	ZINC001081699416	904980535	/nfs/dbraw/zinc/98/05/35/904980535.db2.gz	VGZDJKBDVBAPJT-DOIPELPJSA-N	1	0	369.509	1.584	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3Cc4ccccc43)CCC[C@@H]12	ZINC001107522505	905300171	/nfs/dbraw/zinc/30/01/71/905300171.db2.gz	FFRAHZJEYIBFGJ-DBXWQHBBSA-N	1	0	366.465	1.327	20	30		FDEDRO
C=CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCN1C(=O)CCC1=O)CC2	ZINC001107524213	905368532	/nfs/dbraw/zinc/36/85/32/905368532.db2.gz	NPVSKFQAGNJRTQ-OXQOHEQNSA-N	1	0	361.486	1.853	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3conc3CC)CCC[C@@H]12	ZINC001107534113	905406434	/nfs/dbraw/zinc/40/64/34/905406434.db2.gz	XZNUYJCFOHEVSF-VQIMIIECSA-N	1	0	360.458	1.514	20	30		FDEDRO
C#CCN1CC[NH+](C2CCC(NC(=O)[C@]34CCC[C@H]3OCC4)CC2)CC1	ZINC000996783903	905450411	/nfs/dbraw/zinc/45/04/11/905450411.db2.gz	YIYFQIXTGRFLCY-BRAJZSMUSA-N	1	0	359.514	1.624	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC([NH+]2CCN(CCCO)CC2)CC1	ZINC000996788266	905487509	/nfs/dbraw/zinc/48/75/09/905487509.db2.gz	BEOZARKLMQDEPE-GMNCBBECSA-N	1	0	365.518	1.005	20	30		FDEDRO
N#CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3C[C@H]3c3cccnc3)CC2)CC1	ZINC000996789381	905527776	/nfs/dbraw/zinc/52/77/76/905527776.db2.gz	LPRUDGVWYJYGKQ-GHBBCFCZSA-N	1	0	367.497	1.754	20	30		FDEDRO
CCCN1C[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)CC1=O	ZINC001080532069	905627611	/nfs/dbraw/zinc/62/76/11/905627611.db2.gz	VLGNNJGSFXITLC-ATZDWAIDSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](NS(C)(=O)=O)C(C)C)CCC[C@@H]12	ZINC001107571080	905650273	/nfs/dbraw/zinc/65/02/73/905650273.db2.gz	QOXCQQKLZOJVCD-SOLBZPMBSA-N	1	0	371.547	1.497	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3csc(C)c3)CCC[C@@H]12	ZINC001107578997	905781023	/nfs/dbraw/zinc/78/10/23/905781023.db2.gz	NFQQWAXJBRAHDR-VQIMIIECSA-N	1	0	359.495	1.780	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)CN3C(=O)NC(=O)C3(C)C)CCC[C@@H]12	ZINC001107596441	905855493	/nfs/dbraw/zinc/85/54/93/905855493.db2.gz	HMSPSXHQAPDKNY-AUUYWEPGSA-N	1	0	362.474	1.254	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)CC[N@@H+](C)CC	ZINC001082103368	905876946	/nfs/dbraw/zinc/87/69/46/905876946.db2.gz	HZHOYZLCKONTTN-KSZLIROESA-N	1	0	365.518	1.807	20	30		FDEDRO
C=CCCOCC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001082104666	905888111	/nfs/dbraw/zinc/88/81/11/905888111.db2.gz	SNPSOMYQOBXMIW-OKZBNKHCSA-N	1	0	365.518	1.807	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)Oc3ccccn3)CCC[C@@H]12	ZINC001107613533	905951604	/nfs/dbraw/zinc/95/16/04/905951604.db2.gz	VIMWBCSSNXQIEQ-DBXWQHBBSA-N	1	0	371.481	1.860	20	30		FDEDRO
CCC(=O)N1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)C1	ZINC001080734704	906068078	/nfs/dbraw/zinc/06/80/78/906068078.db2.gz	ORUSGHFHGJBRNX-ATZDWAIDSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=CCCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCN1CCCC1=O)CC2	ZINC001107651228	906231006	/nfs/dbraw/zinc/23/10/06/906231006.db2.gz	VMVPHBJGBOWCDX-YLJYHZDGSA-N	1	0	363.502	1.562	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCc3ccc(CC)cc3)C[C@H]2O)c1	ZINC001077650107	906237367	/nfs/dbraw/zinc/23/73/67/906237367.db2.gz	TWKIXOTUNGHNTN-NHCUHLMSSA-N	1	0	363.461	1.643	20	30		FDEDRO
C[C@@H]1CN(Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001080781084	906248904	/nfs/dbraw/zinc/24/89/04/906248904.db2.gz	NENWCVYYYHTRSW-IDHHARJASA-N	1	0	358.461	1.976	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]2C)nc1	ZINC001080808196	906297074	/nfs/dbraw/zinc/29/70/74/906297074.db2.gz	NTEFNAWRBOHHMI-QGPMSJSTSA-N	1	0	354.454	1.029	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)CC[N@@H+](C)CCC	ZINC001077658292	906401403	/nfs/dbraw/zinc/40/14/03/906401403.db2.gz	SWWVVNIQQPPICR-BQFCYCMXSA-N	1	0	353.507	1.711	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)[C@H](OC)C1	ZINC001082227309	906421439	/nfs/dbraw/zinc/42/14/39/906421439.db2.gz	BWIWLMUSMDBQME-BRSBDYLESA-N	1	0	362.474	1.070	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C	ZINC001082303203	906687728	/nfs/dbraw/zinc/68/77/28/906687728.db2.gz	RYKCHPWWWUTUGH-XWTMOSNGSA-N	1	0	365.518	1.661	20	30		FDEDRO
Cc1nccn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1C	ZINC001080946813	906781289	/nfs/dbraw/zinc/78/12/89/906781289.db2.gz	MNGKWAOLILOXOM-DNVCBOLYSA-N	1	0	367.453	1.731	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3ccnn3)cc2)[C@H](OC)C1	ZINC001082322330	906867156	/nfs/dbraw/zinc/86/71/56/906867156.db2.gz	OTWJEYMCVWSARE-QZTJIDSGSA-N	1	0	355.442	1.663	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C3)cn1	ZINC000997006123	906900193	/nfs/dbraw/zinc/90/01/93/906900193.db2.gz	XBOMRKRZCXXKLP-HBRVENNYSA-N	1	0	366.465	1.265	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1O	ZINC001077698163	906939374	/nfs/dbraw/zinc/93/93/74/906939374.db2.gz	WRZRXZTWQFWYQZ-VQHPVUNQSA-N	1	0	350.484	1.433	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN([C@@H](C)c3nc(C)no3)C[C@H]2C)CC1	ZINC001080992676	906962140	/nfs/dbraw/zinc/96/21/40/906962140.db2.gz	UXSWIOJBKALGAS-JKIFEVAISA-N	1	0	359.474	1.221	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](Cn2cccn2)N(C)C)C[C@H]1c1ccccc1	ZINC001081125589	907177972	/nfs/dbraw/zinc/17/79/72/907177972.db2.gz	HYQINMCVDYYIMT-ZCNNSNEGSA-N	1	0	367.497	1.584	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+]Cc2snnc2C)CC1	ZINC000997078945	907196497	/nfs/dbraw/zinc/19/64/97/907196497.db2.gz	BZBQGMBUKFCXIP-HOCLYGCPSA-N	1	0	350.488	1.908	20	30		FDEDRO
Cn1nccc1CC[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1ccccc1	ZINC001081114932	907214654	/nfs/dbraw/zinc/21/46/54/907214654.db2.gz	NPNOXAQKNUJJBQ-LEWJYISDSA-N	1	0	362.477	1.960	20	30		FDEDRO
CO[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C[NH+]1CCCC1	ZINC001082371252	907233527	/nfs/dbraw/zinc/23/35/27/907233527.db2.gz	ZGRCWVVNGWRJEW-RTBURBONSA-N	1	0	359.445	1.088	20	30		FDEDRO
CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@@H](c2ccccc2)[C@H](NCC#N)C1	ZINC001081132337	907233712	/nfs/dbraw/zinc/23/37/12/907233712.db2.gz	UARNFFLRIZNHCO-RBUKOAKNSA-N	1	0	370.497	1.453	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C)S(C)(=O)=O)C[C@H]1c1ccccc1	ZINC001081134395	907236802	/nfs/dbraw/zinc/23/68/02/907236802.db2.gz	TYCVCGFUGCOBKT-BHYGNILZSA-N	1	0	350.484	1.580	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@H]1c1ccccc1	ZINC001081148454	907260926	/nfs/dbraw/zinc/26/09/26/907260926.db2.gz	KKHQXKDRLSEUGR-FRQCXROJSA-N	1	0	361.873	1.849	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(C(C)C)CCO2)C[C@H]1c1ccccc1	ZINC001081167993	907288343	/nfs/dbraw/zinc/28/83/43/907288343.db2.gz	BQXCRQMZCCMKOJ-ZCNNSNEGSA-N	1	0	357.498	1.866	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cn(C)nc2Cl)C[C@H]1c1ccccc1	ZINC001081178177	907347407	/nfs/dbraw/zinc/34/74/07/907347407.db2.gz	JKCCUAMNKAGHNB-DLBZAZTESA-N	1	0	356.857	1.833	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c(C)ncc3C2)C[C@H]1c1ccccc1	ZINC001081179843	907351540	/nfs/dbraw/zinc/35/15/40/907351540.db2.gz	NDJXEMGMWSFEHZ-SESVDKBCSA-N	1	0	362.477	1.971	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)N2C[C@@H](c3ccccc3)[C@H](NCC#N)C2)CC1	ZINC001081204849	907391993	/nfs/dbraw/zinc/39/19/93/907391993.db2.gz	GFCGDBXUJXMXBF-RBUKOAKNSA-N	1	0	356.470	1.205	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(OC)ncnc2OC)C[C@H]1c1ccccc1	ZINC001081233261	907433498	/nfs/dbraw/zinc/43/34/98/907433498.db2.gz	ZYHYKHZQQHMHDW-JKSUJKDBSA-N	1	0	366.421	1.325	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(F)cccc2NC(N)=O)C1	ZINC001077754520	907539586	/nfs/dbraw/zinc/53/95/86/907539586.db2.gz	FLIHBGNXDVYNRX-ZIAGYGMSSA-N	1	0	350.394	1.057	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C	ZINC001081434777	907562724	/nfs/dbraw/zinc/56/27/24/907562724.db2.gz	ANALDYZYLPTHKU-KZNAEPCWSA-N	1	0	360.433	1.107	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082425996	907665629	/nfs/dbraw/zinc/66/56/29/907665629.db2.gz	IWOQOQOGWCUELN-CXAGYDPISA-N	1	0	356.405	1.316	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCc3sccc3C2)C1	ZINC001082450790	907729867	/nfs/dbraw/zinc/72/98/67/907729867.db2.gz	IETBGNSKWPZEDU-GZBFAFLISA-N	1	0	360.483	1.229	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2C)C[C@H]1C	ZINC001082451681	907731693	/nfs/dbraw/zinc/73/16/93/907731693.db2.gz	RCQYGWPMJQALAZ-FZKQIMNGSA-N	1	0	367.453	1.859	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1O	ZINC001077776593	907844646	/nfs/dbraw/zinc/84/46/46/907844646.db2.gz	WUIBKNOWZCPIDF-HSALFYBXSA-N	1	0	370.497	1.482	20	30		FDEDRO
Cc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)nnn1C	ZINC001082456833	907858202	/nfs/dbraw/zinc/85/82/02/907858202.db2.gz	LKFRQVKNOLAUIM-BDJLRTHQSA-N	1	0	356.405	1.385	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]Cc1cccc(C(N)=O)c1	ZINC001082480225	907947702	/nfs/dbraw/zinc/94/77/02/907947702.db2.gz	PJBLVBOUQWUICR-SJKOYZFVSA-N	1	0	351.410	1.236	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082486046	907976486	/nfs/dbraw/zinc/97/64/86/907976486.db2.gz	ZIUWMZWIHIKHAS-BDJLRTHQSA-N	1	0	356.405	1.263	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082490242	907996269	/nfs/dbraw/zinc/99/62/69/907996269.db2.gz	KZTDDEISILJDMB-IAQYHMDHSA-N	1	0	358.373	1.239	20	30		FDEDRO
CO[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1)C1CC1	ZINC001082493546	908019482	/nfs/dbraw/zinc/01/94/82/908019482.db2.gz	SIZJDPFFWLCXNB-ZMYBRWDISA-N	1	0	357.454	1.950	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C)C(=O)N1CCc2ccccc21	ZINC001082502804	908099630	/nfs/dbraw/zinc/09/96/30/908099630.db2.gz	LMGMBCPOICDEJM-GPMSIDNRSA-N	1	0	365.477	1.814	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3nn(C)cc3C)C[C@H]2C)cc1C#N	ZINC001082505857	908126867	/nfs/dbraw/zinc/12/68/67/908126867.db2.gz	NRKFTTVSDDLBRM-CXAGYDPISA-N	1	0	367.453	1.859	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnc(OC)nc2C)C1	ZINC001082519076	908206799	/nfs/dbraw/zinc/20/67/99/908206799.db2.gz	RDUIKJKRVHUGRN-PILAGYSTSA-N	1	0	374.485	1.711	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2oncc2C)CC1	ZINC000997358328	908314103	/nfs/dbraw/zinc/31/41/03/908314103.db2.gz	YRYDPBVGOLBSQL-IKGGRYGDSA-N	1	0	370.453	1.190	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]cc2C)CC1	ZINC000997358245	908314281	/nfs/dbraw/zinc/31/42/81/908314281.db2.gz	WZHXEJRABSYIMV-NEWSRXKRSA-N	1	0	368.481	1.530	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@@H]2CCOC2)CC1	ZINC000997358090	908314590	/nfs/dbraw/zinc/31/45/90/908314590.db2.gz	WAWQULMJOWLNAN-NQYYFHDYSA-N	1	0	373.497	1.006	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc4occc4[nH]3)C[C@H]2C)C1=O	ZINC001082540117	908366011	/nfs/dbraw/zinc/36/60/11/908366011.db2.gz	FEENHPSAQUUONE-XNRPHZJLSA-N	1	0	356.426	1.598	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082542126	908411751	/nfs/dbraw/zinc/41/17/51/908411751.db2.gz	XPZPAEGPEIJKCJ-UWWQBHOKSA-N	1	0	370.453	1.004	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1)N1C(=O)CCC1=O	ZINC001082543867	908428201	/nfs/dbraw/zinc/42/82/01/908428201.db2.gz	UHOOINJTAORWBM-JKIFEVAISA-N	1	0	368.437	1.032	20	30		FDEDRO
COc1ccc(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)cc1C#N	ZINC000921571407	908442611	/nfs/dbraw/zinc/44/26/11/908442611.db2.gz	FSKFPHSEWCNXFF-QGZVFWFLSA-N	1	0	358.442	1.619	20	30		FDEDRO
Cc1c(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3F)C2)cnn1C	ZINC001082552069	908515291	/nfs/dbraw/zinc/51/52/91/908515291.db2.gz	YWYJSUMDEJGUNR-BFUOFWGJSA-N	1	0	369.444	1.919	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2ccnc3ccnn32)C[C@H]1C	ZINC001082554342	908542103	/nfs/dbraw/zinc/54/21/03/908542103.db2.gz	BWRQNKQEMYHAOC-ZYHUDNBSSA-N	1	0	364.247	1.688	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)C1	ZINC001082560578	908621205	/nfs/dbraw/zinc/62/12/05/908621205.db2.gz	FKKXYCVGUBMIJB-KBAYOESNSA-N	1	0	370.497	1.878	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)nn2)C1	ZINC001082561271	908626330	/nfs/dbraw/zinc/62/63/30/908626330.db2.gz	FIKYBLPYJSLVTH-GDBMZVCRSA-N	1	0	355.442	1.723	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(CO)cc2)C1	ZINC001082568403	908708533	/nfs/dbraw/zinc/70/85/33/908708533.db2.gz	SXVBPHAACDHECS-AHRSYUTCSA-N	1	0	355.482	1.213	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1)S(C)(=O)=O	ZINC001082597531	908944507	/nfs/dbraw/zinc/94/45/07/908944507.db2.gz	CKKSLEVNCGARDY-BFQNTYOBSA-N	1	0	367.446	1.067	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc(C(N)=O)c2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082598692	908951858	/nfs/dbraw/zinc/95/18/58/908951858.db2.gz	JZPYHTMXNHQOQG-AUUYWEPGSA-N	1	0	362.433	1.907	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCCN(C)C2=O)C1	ZINC001082600235	908961894	/nfs/dbraw/zinc/96/18/94/908961894.db2.gz	IVYWBBYIAYQVPR-KBAYOESNSA-N	1	0	371.481	1.922	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cc(CN(C)C)on2)C[C@H]1C	ZINC001082609250	908990505	/nfs/dbraw/zinc/99/05/05/908990505.db2.gz	ZLJKZSGFDZZDAK-QMTHXVAHSA-N	1	0	371.279	1.695	20	30		FDEDRO
CC(C)C[C@H](NC(=O)Nc1cc(C#N)ccc1F)C(=O)NCC[NH+](C)C	ZINC000888361957	909065717	/nfs/dbraw/zinc/06/57/17/909065717.db2.gz	NPGSSVGUHSNZRP-INIZCTEOSA-N	1	0	363.437	1.911	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1C[N@@H+](CCOCCCC)C[C@H]1OC)OCC	ZINC001212354780	909071868	/nfs/dbraw/zinc/07/18/68/909071868.db2.gz	JJHRZJZSSRCSHB-FGTMMUONSA-N	1	0	356.507	1.990	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc(Cl)cn3C)C[C@H]2C)C1=O	ZINC001082630592	909173814	/nfs/dbraw/zinc/17/38/14/909173814.db2.gz	IGAYVPMVPNRVFL-VHDGCEQUSA-N	1	0	364.877	1.516	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ncc4ccccn43)C[C@H]2C)C1=O	ZINC001082642722	909215421	/nfs/dbraw/zinc/21/54/21/909215421.db2.gz	SKWKQWDBKREOJW-HYVNUMGLSA-N	1	0	367.453	1.171	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)ccc2=O)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082635757	909230049	/nfs/dbraw/zinc/23/00/49/909230049.db2.gz	XPLUWXSVDLPNNW-RDTXWAMCSA-N	1	0	350.422	1.507	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccn4ccccc34)C[C@H]2C)C1=O	ZINC001082636794	909238379	/nfs/dbraw/zinc/23/83/79/909238379.db2.gz	SEWRJNIVLVFOJR-KBAYOESNSA-N	1	0	366.465	1.776	20	30		FDEDRO
COc1c[nH]c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)cc1=O	ZINC001082644915	909298984	/nfs/dbraw/zinc/29/89/84/909298984.db2.gz	PFTFILYYMHJGRE-CXAGYDPISA-N	1	0	366.421	1.505	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082652774	909364756	/nfs/dbraw/zinc/36/47/56/909364756.db2.gz	VTETXFSCVFIZND-MLGOLLRUSA-N	1	0	369.400	1.041	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2COCCN2CC2CCC2)C[C@H]1C	ZINC001082664006	909406156	/nfs/dbraw/zinc/40/61/56/909406156.db2.gz	RQBUTDPQQGBJON-KBRIMQKVSA-N	1	0	355.910	1.676	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@H](OC)c2cnn(C)c2)C[C@H]1C	ZINC001082666716	909462571	/nfs/dbraw/zinc/46/25/71/909462571.db2.gz	KUSOPVFWOITIQZ-LERXQTSPSA-N	1	0	371.279	1.453	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2n[nH]nc2C)C[C@H]1C	ZINC001082679458	909500891	/nfs/dbraw/zinc/50/08/91/909500891.db2.gz	YZAILICEWFWRLE-IAQYHMDHSA-N	1	0	354.414	1.244	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)C[C@@H]1O	ZINC001083790025	909519033	/nfs/dbraw/zinc/51/90/33/909519033.db2.gz	KUDWCOAZXLVTDD-ZRNYENFQSA-N	1	0	356.466	1.816	20	30		FDEDRO
Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001082697770	909657377	/nfs/dbraw/zinc/65/73/77/909657377.db2.gz	XJLFCYUOMPFAIN-MLGOLLRUSA-N	1	0	351.410	1.613	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[NH2+][C@@H]2CCN(CC)C2=O)CC1	ZINC000997782488	909689306	/nfs/dbraw/zinc/68/93/06/909689306.db2.gz	UYJRJJODIAQMJG-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCc3nn[nH]c32)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082710593	909766561	/nfs/dbraw/zinc/76/65/61/909766561.db2.gz	ZKPPINDKYBBHNG-MZMPZRCHSA-N	1	0	364.453	1.733	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082711268	909771270	/nfs/dbraw/zinc/77/12/70/909771270.db2.gz	ZDLNGNVZWWAFKZ-BDJLRTHQSA-N	1	0	355.373	1.031	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@]3(C)CCC(=O)N3)C[C@H]2C)cc1C#N	ZINC001082725023	909842342	/nfs/dbraw/zinc/84/23/42/909842342.db2.gz	FPPOULPPADHIHC-AUJRIZCKSA-N	1	0	370.453	1.172	20	30		FDEDRO
C#Cc1cncc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC[NH+](C)CC2)C3)c1	ZINC000997885601	909867189	/nfs/dbraw/zinc/86/71/89/909867189.db2.gz	IARDXGXXEUMMQL-QYZOEREBSA-N	1	0	366.465	1.266	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc(=O)n2C)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082732025	909880690	/nfs/dbraw/zinc/88/06/90/909880690.db2.gz	VVSYOMLDLOKOPP-RHSMWYFYSA-N	1	0	350.422	1.507	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2(COC)CCOCC2)[C@H](OC)C1	ZINC001212379613	909933727	/nfs/dbraw/zinc/93/37/27/909933727.db2.gz	HLDYEIDJUNMAQN-BRWVUGGUSA-N	1	0	354.491	1.600	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)CCc3cncs3)C[C@H]2C)C1=O	ZINC001082744948	909967514	/nfs/dbraw/zinc/96/75/14/909967514.db2.gz	RIMITTSJUZXYOG-VNQPRFMTSA-N	1	0	362.499	1.299	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cn3ccc(C)n3)C[C@H]2C)cc1C#N	ZINC001082749268	909968823	/nfs/dbraw/zinc/96/88/23/909968823.db2.gz	PKAGDMJVMMRYND-RDTXWAMCSA-N	1	0	367.453	1.709	20	30		FDEDRO
Cc1ccn(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)n1	ZINC001082749283	909977225	/nfs/dbraw/zinc/97/72/25/909977225.db2.gz	QGSKRVYVAWXHMX-FZKQIMNGSA-N	1	0	355.417	1.839	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc(C4CC4)n[nH]3)C[C@H]2C)C1=O	ZINC001082759532	910031280	/nfs/dbraw/zinc/03/12/80/910031280.db2.gz	RLKATJXKWWHJHA-SUYBPPKGSA-N	1	0	357.458	1.124	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)Cn2cc(Cl)cn2)C[C@H]1C	ZINC001082770107	910074758	/nfs/dbraw/zinc/07/47/58/910074758.db2.gz	BUJBPHINQRDWRI-BXKDBHETSA-N	1	0	361.671	1.882	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(C)cs3)C2)nn1	ZINC001082795853	910182042	/nfs/dbraw/zinc/18/20/42/910182042.db2.gz	JBKYJEYFVZZXND-TZMCWYRMSA-N	1	0	360.487	1.869	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(OC)ccn3)C2)nn1	ZINC001082796100	910184338	/nfs/dbraw/zinc/18/43/38/910184338.db2.gz	SECLHGGTMPTBCA-RHSMWYFYSA-N	1	0	370.457	1.508	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccn(C(C)C)n3)C2)nn1	ZINC001082791218	910192257	/nfs/dbraw/zinc/19/22/57/910192257.db2.gz	GPBZXKZXSGXTJQ-GDBMZVCRSA-N	1	0	357.462	1.492	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)nn1	ZINC001082791394	910193431	/nfs/dbraw/zinc/19/34/31/910193431.db2.gz	PCCQCTVTJKRQHL-RHSMWYFYSA-N	1	0	350.426	1.586	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H]3CCN(CC)C3=O)C2)cc1	ZINC001082791296	910193566	/nfs/dbraw/zinc/19/35/66/910193566.db2.gz	KMKXNVUSVVWQJK-ATZDWAIDSA-N	1	0	369.465	1.370	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082823159	910328180	/nfs/dbraw/zinc/32/81/80/910328180.db2.gz	MZJHAQWXPGQDRS-RHSMWYFYSA-N	1	0	353.426	1.491	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082826466	910338072	/nfs/dbraw/zinc/33/80/72/910338072.db2.gz	SJPIMXJHUOOKBU-PIGZYNQJSA-N	1	0	369.400	1.375	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082826379	910338205	/nfs/dbraw/zinc/33/82/05/910338205.db2.gz	LDGLPFDIGOZWOZ-MEBBXXQBSA-N	1	0	357.439	1.297	20	30		FDEDRO
Cc1cc(=O)c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3F)C2)c[nH]1	ZINC001082838182	910373581	/nfs/dbraw/zinc/37/35/81/910373581.db2.gz	ATVZSBMBFXTIKC-KZULUSFZSA-N	1	0	368.412	1.944	20	30		FDEDRO
C#CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC000998117792	910379881	/nfs/dbraw/zinc/37/98/81/910379881.db2.gz	UAZXABODHHHYFX-OKZBNKHCSA-N	1	0	363.502	1.349	20	30		FDEDRO
C=CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC000998116592	910390654	/nfs/dbraw/zinc/39/06/54/910390654.db2.gz	OYWMZMWUGINAHM-FGTMMUONSA-N	1	0	365.518	1.901	20	30		FDEDRO
Cc1nonc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1	ZINC001082834526	910396556	/nfs/dbraw/zinc/39/65/56/910396556.db2.gz	YXALSTZFFVLYSR-PIGZYNQJSA-N	1	0	357.389	1.568	20	30		FDEDRO
CCN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)CC1	ZINC000998125800	910407401	/nfs/dbraw/zinc/40/74/01/910407401.db2.gz	KVGURMKCCOCQPL-QRVBRYPASA-N	1	0	368.481	1.883	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cnn(C(C)C)c3)C[C@H]2C)C1=O	ZINC001082855788	910485536	/nfs/dbraw/zinc/48/55/36/910485536.db2.gz	QUKFWHRGVQLLQZ-HYVNUMGLSA-N	1	0	359.474	1.301	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C)no2)C1	ZINC001082868855	910508157	/nfs/dbraw/zinc/50/81/57/910508157.db2.gz	YDXYJCCKSOSSCS-CXAGYDPISA-N	1	0	354.410	1.640	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc(Cl)no3)C[C@H]2C)C1=O	ZINC001082876013	910592372	/nfs/dbraw/zinc/59/23/72/910592372.db2.gz	ZCMSKBFDZFNYGD-GRYCIOLGSA-N	1	0	352.822	1.165	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cnc2C)C[C@H]1C	ZINC001082884996	910665275	/nfs/dbraw/zinc/66/52/75/910665275.db2.gz	XLHRKPNJDPWSMD-FZKQIMNGSA-N	1	0	367.453	1.778	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCN(C(C)=O)C2)C[C@H]1C	ZINC001082888028	910688465	/nfs/dbraw/zinc/68/84/65/910688465.db2.gz	UGLRGYHZGULDJB-DDTOSNHZSA-N	1	0	358.280	1.200	20	30		FDEDRO
CC(=O)N1CC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1	ZINC001082888660	910693667	/nfs/dbraw/zinc/69/36/67/910693667.db2.gz	XGIRHOOJRFAEMK-MDASCCDHSA-N	1	0	354.454	1.363	20	30		FDEDRO
Cc1nn(C)c(F)c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001082889487	910696901	/nfs/dbraw/zinc/69/69/01/910696901.db2.gz	CMEHTSOOPGNKQE-MLGOLLRUSA-N	1	0	355.417	1.990	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](C[C@H](CC)OC)C[C@H]2OC)CCOCC1	ZINC001212395768	910747833	/nfs/dbraw/zinc/74/78/33/910747833.db2.gz	MQUUCVBAYLMMBQ-GVDBMIGSSA-N	1	0	352.475	1.047	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)COc3ccccc3C)C[C@H]2C)C1=O	ZINC001082896422	910774649	/nfs/dbraw/zinc/77/46/49/910774649.db2.gz	BUMHPZLJFPZPTH-KZNAEPCWSA-N	1	0	371.481	1.597	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc(F)cc(F)c3)C[C@H]2C)C1=O	ZINC001082903608	910793832	/nfs/dbraw/zinc/79/38/32/910793832.db2.gz	RJPSIUGWODIXPU-CSMYWGQOSA-N	1	0	363.408	1.802	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2CCN(C(N)=O)CC2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082910329	910845638	/nfs/dbraw/zinc/84/56/38/910845638.db2.gz	KGJXHSVDTXTELX-RDTXWAMCSA-N	1	0	369.469	1.285	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCS2(=O)=O)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082931705	910975103	/nfs/dbraw/zinc/97/51/03/910975103.db2.gz	KUOHTUVSTPZXMD-KBRIMQKVSA-N	1	0	361.467	1.072	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)CC2(C(F)(F)F)CC2)[C@H](OC)C1	ZINC001212401244	911062165	/nfs/dbraw/zinc/06/21/65/911062165.db2.gz	JGCRMQSNFJSCDB-CHWSQXEVSA-N	1	0	350.381	1.737	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)/C=C(\C)C4CC4)[C@H]3C2)C1=O	ZINC001083014523	911525611	/nfs/dbraw/zinc/52/56/11/911525611.db2.gz	IXQYXAIKLOPDMQ-MULAGNJSSA-N	1	0	359.470	1.041	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3[nH]nc4c3CCCC4)[C@H]2C1	ZINC001083082115	911945728	/nfs/dbraw/zinc/94/57/28/911945728.db2.gz	LWSJFEPJYVMWKD-RBUKOAKNSA-N	1	0	358.486	1.709	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4ccnc4)n3)[C@H]2C1	ZINC001083126979	912103066	/nfs/dbraw/zinc/10/30/66/912103066.db2.gz	SMKYNQCGDFEMKG-ZWKOTPCHSA-N	1	0	367.453	1.759	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@]34CCOc3ccccc34)[C@H]2C1	ZINC001083140767	912151989	/nfs/dbraw/zinc/15/19/89/912151989.db2.gz	VSJBDIYEQJRJSH-RUOSDFBUSA-N	1	0	366.461	1.662	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C(F)F)nn3C)[C@H]2C1	ZINC001083141962	912162290	/nfs/dbraw/zinc/16/22/90/912162290.db2.gz	LHDBOKCMUUSNGN-LSDHHAIUSA-N	1	0	354.401	1.849	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCCN3CC(F)F)[C@@H]2C1	ZINC001084547800	915311453	/nfs/dbraw/zinc/31/14/53/915311453.db2.gz	NLPMKOQIBHNTOM-OAGGEKHMSA-N	1	0	357.445	1.451	20	30		FDEDRO
CN1CC[C@@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1=O	ZINC001084589864	915512986	/nfs/dbraw/zinc/51/29/86/915512986.db2.gz	RZODRGNCESKCOK-KZNAEPCWSA-N	1	0	352.438	1.069	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC(N(C)C(=O)OCC)CC2)CC1	ZINC000730125567	916179294	/nfs/dbraw/zinc/17/92/94/916179294.db2.gz	WFBFXKDTQMUULK-UHFFFAOYSA-N	1	0	352.479	1.899	20	30		FDEDRO
CCN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1F	ZINC000730142518	916186808	/nfs/dbraw/zinc/18/68/08/916186808.db2.gz	RZSFDFGVZMTUDC-CQSZACIVSA-N	1	0	366.462	1.845	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCN3CCCC3=O)C[C@H]21	ZINC001084715384	916499691	/nfs/dbraw/zinc/49/96/91/916499691.db2.gz	DGSPQLZEXDAWKC-NTDBWNAOSA-N	1	0	361.486	1.123	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](CCc4cnn(CC)c4)C[C@H]32)nc1	ZINC001084783666	917088253	/nfs/dbraw/zinc/08/82/53/917088253.db2.gz	CQHHIKMSAWWZCG-UYAOXDASSA-N	1	0	363.465	1.668	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cnnn4)cc3)[C@@H]2C1	ZINC001084816521	917358277	/nfs/dbraw/zinc/35/82/77/917358277.db2.gz	JIXLRIURXMIWJV-SJLPKXTDSA-N	1	0	352.442	1.775	20	30		FDEDRO
C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC000730915674	917470805	/nfs/dbraw/zinc/47/08/05/917470805.db2.gz	NGYLGDOEFYGKOF-HUUCEWRRSA-N	1	0	358.442	1.907	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1	ZINC000731127938	917773691	/nfs/dbraw/zinc/77/36/91/917773691.db2.gz	QDSCTIMWFALTGS-CVEARBPZSA-N	1	0	357.454	1.874	20	30		FDEDRO
O=C(CN1CCCC1=O)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001084888088	918001821	/nfs/dbraw/zinc/00/18/21/918001821.db2.gz	VZNOAAYNHLHOLO-UXHICEINSA-N	1	0	365.477	1.583	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cscn4)C[C@@H]32)C1=O	ZINC001084904189	918179288	/nfs/dbraw/zinc/17/92/88/918179288.db2.gz	KAFADWBWETYYCH-IMJJTQAJSA-N	1	0	360.483	1.466	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4c[nH]c(C)n4)C[C@@H]32)C1=O	ZINC001084905196	918192855	/nfs/dbraw/zinc/19/28/55/918192855.db2.gz	ATIHCYHWSRXMDX-XIRDDKMYSA-N	1	0	357.458	1.041	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)c4nccnc4N)C[C@@H]32)cc1	ZINC001084907712	918210109	/nfs/dbraw/zinc/21/01/09/918210109.db2.gz	LICOELOCCSUTAU-SJORKVTESA-N	1	0	362.437	1.667	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cccc(=O)[nH]4)C[C@@H]32)C1=O	ZINC001084913089	918262102	/nfs/dbraw/zinc/26/21/02/918262102.db2.gz	XTIUJADHPFYHIN-UAGQMJEPSA-N	1	0	370.453	1.111	20	30		FDEDRO
Cn1nccc1CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21	ZINC001084915340	918284016	/nfs/dbraw/zinc/28/40/16/918284016.db2.gz	SYOMGBIJELHDGW-QAPCUYQASA-N	1	0	352.442	1.399	20	30		FDEDRO
CN1CCOC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001084925247	918353900	/nfs/dbraw/zinc/35/39/00/918353900.db2.gz	PWQDZIMSAXXRMM-QHAWAJNXSA-N	1	0	367.493	1.292	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cn([C@H]4CCOC4)nc3C)C[C@@H]21	ZINC001084940253	918561431	/nfs/dbraw/zinc/56/14/31/918561431.db2.gz	PNDZGPQLIBTEJV-AOIWGVFYSA-N	1	0	356.470	1.713	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccn(C4CCOCC4)n3)C[C@@H]21	ZINC001084940275	918561618	/nfs/dbraw/zinc/56/16/18/918561618.db2.gz	RGGUGCTYJIGLDL-APWZRJJASA-N	1	0	356.470	1.794	20	30		FDEDRO
C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21	ZINC001084937662	918577795	/nfs/dbraw/zinc/57/77/95/918577795.db2.gz	PVPQDPLAYDBEKB-UHOSZYNNSA-N	1	0	357.498	1.724	20	30		FDEDRO
CC(C)(C)n1nnc(CC[N@@H+]2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)n1	ZINC001084937792	918579127	/nfs/dbraw/zinc/57/91/27/918579127.db2.gz	CPBNUVSNTJKQFT-SJORKVTESA-N	1	0	370.501	1.307	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c(c3)OCC(=O)N4)C[C@@H]21	ZINC001084959340	918861953	/nfs/dbraw/zinc/86/19/53/918861953.db2.gz	OGBOFECNUXQDSC-PBHICJAKSA-N	1	0	353.422	1.577	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC3CCOCC3)[C@H]2C1	ZINC001084961116	918906668	/nfs/dbraw/zinc/90/66/68/918906668.db2.gz	LTCRHWVZEFZHFW-AABGKKOBSA-N	1	0	359.514	1.433	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CCCC(=O)N4)C[C@@H]32)c1	ZINC001084966804	918920493	/nfs/dbraw/zinc/92/04/93/918920493.db2.gz	KDFWOJOWNJQREE-QRVBRYPASA-N	1	0	366.465	1.650	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)[C@H]4C[C@H]5C[C@H]5C4)C[C@@H]32)C1=O	ZINC001085013586	919640371	/nfs/dbraw/zinc/64/03/71/919640371.db2.gz	SVPQOMPGZKYWCQ-UIWVKPTASA-N	1	0	357.498	1.742	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN(C(C)(C)C)C3=O)C[C@@H]21	ZINC001085013856	919645455	/nfs/dbraw/zinc/64/54/55/919645455.db2.gz	MDSXMZCLLCMZTD-SQNIBIBYSA-N	1	0	359.514	1.970	20	30		FDEDRO
CCC[NH+]1CCC(N(C)C(=O)NCCNC(=O)C2N=CC=CC2=O)CC1	ZINC000732466635	919651847	/nfs/dbraw/zinc/65/18/47/919651847.db2.gz	QEVJZHZLIGYNNV-WUKNDPDISA-N	1	0	363.462	1.029	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)Cc4occc4C)C[C@@H]32)C1=O	ZINC001085027832	919812597	/nfs/dbraw/zinc/81/25/97/919812597.db2.gz	RWRKNPPUGUJJMM-KSZLIROESA-N	1	0	371.481	1.840	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@H]32)c1	ZINC001085034978	919916842	/nfs/dbraw/zinc/91/68/42/919916842.db2.gz	ZFWBEIXHOZXSFK-BDXSIMOUSA-N	1	0	352.438	1.102	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCc3cnn(C)c3)[C@H]2C1	ZINC001085038069	919967441	/nfs/dbraw/zinc/96/74/41/919967441.db2.gz	UPDTYEVOGUFUCK-YRXWBPOGSA-N	1	0	358.486	1.477	20	30		FDEDRO
C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCN1CCOCC1	ZINC000732738899	920010518	/nfs/dbraw/zinc/01/05/18/920010518.db2.gz	WIHKCLLICIWBSN-UHFFFAOYSA-N	1	0	365.547	1.917	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3CC[N@H+](CC[C@H]4CCCO4)[C@H]3C2)nn1	ZINC001085051979	920100891	/nfs/dbraw/zinc/10/08/91/920100891.db2.gz	WMXGACZMXLJKCC-NUJGCVRESA-N	1	0	359.474	1.570	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CCn3cncn3)[C@H]2C1	ZINC001085052663	920117069	/nfs/dbraw/zinc/11/70/69/920117069.db2.gz	CMAJYAHNUGBNMJ-XWSJACJDSA-N	1	0	373.501	1.572	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CC[C@H]3CC[N@H+](CCn4cccn4)[C@H]3C2)nn1	ZINC001085053273	920123875	/nfs/dbraw/zinc/12/38/75/920123875.db2.gz	MGBHSHYKVPXKIS-AEFFLSMTSA-N	1	0	369.473	1.287	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ccn(CC)n4)C[C@@H]32)C1=O	ZINC001085049771	920132165	/nfs/dbraw/zinc/13/21/65/920132165.db2.gz	YDIIRORYSWEGCJ-JQHSSLGASA-N	1	0	371.485	1.226	20	30		FDEDRO
C[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000732811261	920158763	/nfs/dbraw/zinc/15/87/63/920158763.db2.gz	QBLFUKNKROEBIC-CQSZACIVSA-N	1	0	368.359	1.982	20	30		FDEDRO
C[NH+](C)CCCNC(=S)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000732826588	920189113	/nfs/dbraw/zinc/18/91/13/920189113.db2.gz	SFHFUMBIQYOLLV-KRWDZBQOSA-N	1	0	363.506	1.834	20	30		FDEDRO
C=C(Cl)CN1CC[C@@H]2CCN(C(=O)[C@H]3CCN(C(=O)CC)C3)C[C@@H]21	ZINC001085070229	920444050	/nfs/dbraw/zinc/44/40/50/920444050.db2.gz	SMHZDMRITIUESK-PMPSAXMXSA-N	1	0	353.894	1.920	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4c([nH]c3=O)CCOC4)C[C@@H]21	ZINC001085072281	920488103	/nfs/dbraw/zinc/48/81/03/920488103.db2.gz	QYXNSIBDNJZWRY-KDOFPFPSSA-N	1	0	355.438	1.420	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4[nH]cnc4CC)C[C@@H]32)C1=O	ZINC001085084495	920619112	/nfs/dbraw/zinc/61/91/12/920619112.db2.gz	HYRACZGOGYXHNW-UAGQMJEPSA-N	1	0	371.485	1.295	20	30		FDEDRO
Cc1ccc(C(=O)N[C@@H](C[NH+](C)C)C(C)C)cc1S(=O)(=O)NCC#N	ZINC000733164295	920714033	/nfs/dbraw/zinc/71/40/33/920714033.db2.gz	OMFKESIAHTVYEG-HNNXBMFYSA-N	1	0	366.487	1.113	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3nc4nc(C)cc(C)n4n3)C[C@@H]21	ZINC001085087475	920730586	/nfs/dbraw/zinc/73/05/86/920730586.db2.gz	XDRXRUCQPIGEEJ-CVEARBPZSA-N	1	0	354.458	1.854	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c(c3)nc[nH]c4=O)C[C@@H]21	ZINC001085094613	920860506	/nfs/dbraw/zinc/86/05/06/920860506.db2.gz	MCJUTBGCQRYOET-KDOFPFPSSA-N	1	0	350.422	1.895	20	30		FDEDRO
COc1cc2c(c(C[NH2+]CCNC(=O)C3N=CC=CC3=O)c1)O[C@@H](C)C2	ZINC000733333705	920988378	/nfs/dbraw/zinc/98/83/78/920988378.db2.gz	SDJXGNGWUSYOJJ-WVOMEGHKSA-N	1	0	357.410	1.635	20	30		FDEDRO
O=C(NCC[NH2+]Cc1ccc(N2CCOCC2)cc1)C1N=CC=CC1=O	ZINC000733334728	920989625	/nfs/dbraw/zinc/98/96/25/920989625.db2.gz	QGJBURBPBCFLQG-VHEBQXMUSA-N	1	0	356.426	1.139	20	30		FDEDRO
Cc1c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)nnn1C	ZINC001085158439	921867807	/nfs/dbraw/zinc/86/78/07/921867807.db2.gz	CMBJGXFAEMRJNN-IAGOWNOFSA-N	1	0	352.442	1.826	20	30		FDEDRO
Cc1c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(C#N)ccc2F)nnn1C	ZINC001085158583	921868870	/nfs/dbraw/zinc/86/88/70/921868870.db2.gz	LBXUWNHCPFLIFQ-IAGOWNOFSA-N	1	0	370.432	1.965	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCCCC2)c1	ZINC001085163988	921911867	/nfs/dbraw/zinc/91/18/67/921911867.db2.gz	JXEHIRZSKZMVPS-IAGOWNOFSA-N	1	0	371.485	1.920	20	30		FDEDRO
CCn1nnc(C)c1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC001085173708	921968829	/nfs/dbraw/zinc/96/88/29/921968829.db2.gz	HKZSAYPBXQFSFH-HUUCEWRRSA-N	1	0	355.446	1.637	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(OC)no2)C1=O	ZINC001085176376	922006416	/nfs/dbraw/zinc/00/64/16/922006416.db2.gz	BXOQZVRYTIAGID-MCIONIFRSA-N	1	0	362.430	1.101	20	30		FDEDRO
COc1coc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(C#N)c2)cc1=O	ZINC001085176615	922008202	/nfs/dbraw/zinc/00/82/02/922008202.db2.gz	PDJZLSBHFVOKHH-HZPDHXFCSA-N	1	0	370.409	1.679	20	30		FDEDRO
C=CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000282631750	922188320	/nfs/dbraw/zinc/18/83/20/922188320.db2.gz	OYMMDBSBRPOSSK-OAHLLOKOSA-N	1	0	357.462	1.023	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1ccn(C)n1	ZINC001085196197	922471290	/nfs/dbraw/zinc/47/12/90/922471290.db2.gz	MFEFJAYVCHDNDL-ZIAGYGMSSA-N	1	0	355.280	1.888	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnn3c2CCC3)C1=O	ZINC001085219173	922874127	/nfs/dbraw/zinc/87/41/27/922874127.db2.gz	KLNIOSYWJANRLD-ZACQAIPSSA-N	1	0	371.485	1.247	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnc(OC)n1	ZINC001085229698	922981907	/nfs/dbraw/zinc/98/19/07/922981907.db2.gz	FVRBRGTUQFAVCN-KURKYZTESA-N	1	0	371.485	1.100	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001085230474	922990309	/nfs/dbraw/zinc/99/03/09/922990309.db2.gz	YFOPDLNCWZALAX-DXEWXGHRSA-N	1	0	363.483	1.941	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000734243039	923119626	/nfs/dbraw/zinc/11/96/26/923119626.db2.gz	DDVLCJZDVFUAEB-KRWDZBQOSA-N	1	0	363.483	1.788	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CCN1C1CC1	ZINC000734282348	923173643	/nfs/dbraw/zinc/17/36/43/923173643.db2.gz	DUMNNZOQTMHVEA-MSOLQXFVSA-N	1	0	361.490	1.012	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CCCNC1=O	ZINC001085258067	923241856	/nfs/dbraw/zinc/24/18/56/923241856.db2.gz	OJCIBAMEVBKUJH-QZTJIDSGSA-N	1	0	369.469	1.491	20	30		FDEDRO
N#Cc1ccccc1/C=C\C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000734468205	923327276	/nfs/dbraw/zinc/32/72/76/923327276.db2.gz	OVAWWWMASPJPTG-VOFKWLDRSA-N	1	0	354.454	1.094	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)CNC(=O)C1	ZINC001085283138	923503370	/nfs/dbraw/zinc/50/33/70/923503370.db2.gz	DGBUSKVSPGYAGY-JMSVASOKSA-N	1	0	358.280	1.438	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCNC2=O)cc1	ZINC001085293353	923610433	/nfs/dbraw/zinc/61/04/33/923610433.db2.gz	GETXIWFKFFCGHZ-QZTJIDSGSA-N	1	0	354.454	1.324	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCNC2=O)cc1F	ZINC001085297028	923622026	/nfs/dbraw/zinc/62/20/26/923622026.db2.gz	XTVGDUCAEMLPJY-USXIJHARSA-N	1	0	358.417	1.350	20	30		FDEDRO
CN1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)s2)NC1=O	ZINC001085297985	923636512	/nfs/dbraw/zinc/63/65/12/923636512.db2.gz	ZZEXVKISKZFZEA-KFWWJZLASA-N	1	0	361.471	1.160	20	30		FDEDRO
COCC#CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2CC(C)(C)C)CC1	ZINC001098372113	923646095	/nfs/dbraw/zinc/64/60/95/923646095.db2.gz	UJJUUZQCLUXGIT-PKOBYXMFSA-N	1	0	364.530	1.994	20	30		FDEDRO
Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(C#N)ccc2F)[nH]c1=O	ZINC001085320964	923852172	/nfs/dbraw/zinc/85/21/72/923852172.db2.gz	YZKKJIDUHWNPKK-HZPDHXFCSA-N	1	0	371.416	1.967	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCCNC2=O)cc1	ZINC001085356453	924145694	/nfs/dbraw/zinc/14/56/94/924145694.db2.gz	XWTAZNMFHLVUTG-QRVBRYPASA-N	1	0	369.465	1.608	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccn(CC)n2)C1=O	ZINC001085353156	924161909	/nfs/dbraw/zinc/16/19/09/924161909.db2.gz	QGQMICNTNJEFOL-INMHGKMJSA-N	1	0	359.474	1.321	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nccnc2C)nn1	ZINC001085358803	924172701	/nfs/dbraw/zinc/17/27/01/924172701.db2.gz	UFBPENBLXJBDFC-HZPDHXFCSA-N	1	0	369.473	1.783	20	30		FDEDRO
Cn1ncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(F)c(C#N)c2)n1	ZINC001085362565	924257211	/nfs/dbraw/zinc/25/72/11/924257211.db2.gz	JNUZWIQIOSBJKK-HZPDHXFCSA-N	1	0	356.405	1.657	20	30		FDEDRO
N#CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnon2)cc1	ZINC001085369542	924277637	/nfs/dbraw/zinc/27/76/37/924277637.db2.gz	ZDCKWRIQKZUROX-HZPDHXFCSA-N	1	0	355.398	1.803	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C(N)=O)c[nH]1	ZINC001085376842	924317817	/nfs/dbraw/zinc/31/78/17/924317817.db2.gz	WKWVSJAKPPMDLA-IAGOWNOFSA-N	1	0	365.437	1.816	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(OC)o2)C1=O	ZINC001085373271	924321480	/nfs/dbraw/zinc/32/14/80/924321480.db2.gz	GKPDXRPJABYKIV-KFWWJZLASA-N	1	0	361.442	1.706	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)CCNC(=O)C1N=CC=CC1=O)c1cccs1	ZINC000735836743	924591868	/nfs/dbraw/zinc/59/18/68/924591868.db2.gz	IAZGYKJUWBQSFC-QIVXWBPLSA-N	1	0	362.455	1.384	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCCCN2C(=O)c3ccccc3C2=O)CC1	ZINC000735938533	924685226	/nfs/dbraw/zinc/68/52/26/924685226.db2.gz	ZLNCESXLBVSTTJ-UHFFFAOYSA-N	1	0	354.406	1.561	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1	ZINC000735940349	924687065	/nfs/dbraw/zinc/68/70/65/924687065.db2.gz	OUJYQEVAMPROQH-ZDUSSCGKSA-N	1	0	359.382	1.810	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)N2CCN(C)CC2)CC1	ZINC000740735990	925419868	/nfs/dbraw/zinc/41/98/68/925419868.db2.gz	YSMCZJJNRIUOJV-NRFANRHFSA-N	1	0	368.525	1.579	20	30		FDEDRO
C#Cc1cccc(NC(=S)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c1	ZINC000741500253	925781785	/nfs/dbraw/zinc/78/17/85/925781785.db2.gz	HICXBOUYRCEUKJ-UHFFFAOYSA-N	1	0	370.482	1.351	20	30		FDEDRO
C#CCN(CC#CC)C(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C	ZINC000742003399	925906726	/nfs/dbraw/zinc/90/67/26/925906726.db2.gz	NSPGHCRIZAFNLZ-UHFFFAOYSA-N	1	0	361.449	1.662	20	30		FDEDRO
COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@]34C[C@H]3COC4)C2)cc1C#N	ZINC001086091679	925956221	/nfs/dbraw/zinc/95/62/21/925956221.db2.gz	JDPLCAAGSFPVQC-REGYPHIPSA-N	1	0	355.438	1.588	20	30		FDEDRO
CCc1nc(C#N)cc(NCC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001066393736	925959004	/nfs/dbraw/zinc/95/90/04/925959004.db2.gz	LNXXSBNWMOBOLX-BFYDXBDKSA-N	1	0	370.501	1.901	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC001086122159	926058828	/nfs/dbraw/zinc/05/88/28/926058828.db2.gz	YUWSPEHVFXBBJG-KXNHARMFSA-N	1	0	356.772	1.570	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cnc(OC)nc2C)C1	ZINC001086201467	926283645	/nfs/dbraw/zinc/28/36/45/926283645.db2.gz	BXPLJRNBSIVHOX-XBVQOTNRSA-N	1	0	360.458	1.369	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)nnn3C)C1	ZINC001086201671	926284278	/nfs/dbraw/zinc/28/42/78/926284278.db2.gz	LGTUOWISRFQDTL-OLMMMNRUSA-N	1	0	369.469	1.544	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCC[C@H]2C)C1	ZINC001086201551	926284772	/nfs/dbraw/zinc/28/47/72/926284772.db2.gz	GUHASBXNEMHVSE-SFFUCWETSA-N	1	0	363.502	1.463	20	30		FDEDRO
CCc1ccc(N=C2NC(=O)C(CC(=O)NCCC[NH+](C)C)S2)cc1	ZINC000743277053	926307429	/nfs/dbraw/zinc/30/74/29/926307429.db2.gz	HJZYTYRXSLIEEN-HNNXBMFYSA-N	1	0	362.499	1.926	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1	ZINC001086223434	926352887	/nfs/dbraw/zinc/35/28/87/926352887.db2.gz	PXHRNXGPNJHHCV-LVEJAMMSSA-N	1	0	363.502	1.368	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)CC1	ZINC000743488698	926377292	/nfs/dbraw/zinc/37/72/92/926377292.db2.gz	QFTNLWRAYNJIMS-IRXDYDNUSA-N	1	0	370.497	1.913	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3c3ccncc3)C2)C1=O	ZINC001086370527	926851071	/nfs/dbraw/zinc/85/10/71/926851071.db2.gz	LMNWNUBBILIDRS-HZZCBIDNSA-N	1	0	368.481	1.456	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCCN2c2ncccc2C#N)CC[N@@H+]1C	ZINC001066526765	927147643	/nfs/dbraw/zinc/14/76/43/927147643.db2.gz	MVGXWDAKMFOXQU-IXDOHACOSA-N	1	0	357.458	1.005	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCCN2c2ccc(C#N)c(C)n2)CC[N@@H+]1C	ZINC001066526919	927149096	/nfs/dbraw/zinc/14/90/96/927149096.db2.gz	PAWLBGQMEQKMEX-FGTMMUONSA-N	1	0	371.485	1.313	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)CCNC(=O)C1N=CC=CC1=O)c1ccsc1	ZINC000746118100	927624057	/nfs/dbraw/zinc/62/40/57/927624057.db2.gz	KZQXAPBBPIIAKF-CMTMBAJVSA-N	1	0	362.455	1.384	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(C(N)=O)c2)C1	ZINC001086503726	927710773	/nfs/dbraw/zinc/71/07/73/927710773.db2.gz	KLZRXEBWPJKKCW-WNHJNPCNSA-N	1	0	371.481	1.751	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2c(C)nnn2CC)C1	ZINC001086503757	927711149	/nfs/dbraw/zinc/71/11/49/927711149.db2.gz	LXMKVRBMPACCPG-OVWQWFNUSA-N	1	0	361.490	1.572	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1	ZINC000746297451	927742029	/nfs/dbraw/zinc/74/20/29/927742029.db2.gz	YCSWVIKQYGJRSC-PXODIOGPSA-N	1	0	372.469	1.378	20	30		FDEDRO
C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2	ZINC001169020186	928242301	/nfs/dbraw/zinc/24/23/01/928242301.db2.gz	KEQCPGJQQABODQ-ZIFCJYIRSA-N	1	0	364.490	1.615	20	30		FDEDRO
C#CCCCC[NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC001169183652	928342283	/nfs/dbraw/zinc/34/22/83/928342283.db2.gz	LHOJRBIVBBBYEK-HNNXBMFYSA-N	1	0	359.474	1.386	20	30		FDEDRO
COC(=O)[C@@H](C[NH3+])Cc1ccc(N=C(NO)c2ccc(OC)cn2)cc1	ZINC001169608173	928787004	/nfs/dbraw/zinc/78/70/04/928787004.db2.gz	HLQOZBNGXUCKBJ-CYBMUJFWSA-N	1	0	358.398	1.438	20	30		FDEDRO
COc1ccc(C(=NO)Nc2ccccc2C(=O)NC2CC[NH2+]CC2)nc1	ZINC001169608503	928788546	/nfs/dbraw/zinc/78/85/46/928788546.db2.gz	NLRNODQJXKINKU-UHFFFAOYSA-N	1	0	369.425	1.820	20	30		FDEDRO
C=CCCCCC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3OCC[C@H]3C)CC2=O)C1	ZINC001108573017	928937375	/nfs/dbraw/zinc/93/73/75/928937375.db2.gz	LKKICHZZESWKGG-MDZRGWNJSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc(CCC)on2)[C@@H](n2ccnn2)C1	ZINC001129353413	929042093	/nfs/dbraw/zinc/04/20/93/929042093.db2.gz	OMELASHQLBBIFW-SJORKVTESA-N	1	0	358.446	1.840	20	30		FDEDRO
C[N@@H+]1CCN(CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C(C)(C)C1	ZINC000766998403	929049564	/nfs/dbraw/zinc/04/95/64/929049564.db2.gz	GJGTWKPFNJXNGX-CQSZACIVSA-N	1	0	353.426	1.538	20	30		FDEDRO
O=C(NCC[NH2+]Cc1cncc(Br)c1)C1N=CC=CC1=O	ZINC000767181350	929156547	/nfs/dbraw/zinc/15/65/47/929156547.db2.gz	KZJUHDLOPGOHKM-BUHFOSPRSA-N	1	0	351.204	1.460	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNS(=O)(=O)CC	ZINC001109596049	929903805	/nfs/dbraw/zinc/90/38/05/929903805.db2.gz	DMOJEMKMMNPDGX-PMPSAXMXSA-N	1	0	371.547	1.640	20	30		FDEDRO
COC(=O)C[C@]1([NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)CCCOC1	ZINC000770702570	930214575	/nfs/dbraw/zinc/21/45/75/930214575.db2.gz	WSIVHAJFHVTBTR-QGZVFWFLSA-N	1	0	365.455	1.877	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2	ZINC001109719186	930237813	/nfs/dbraw/zinc/23/78/13/930237813.db2.gz	XNQMFXYHUCMYNN-YRXWBPOGSA-N	1	0	374.529	1.250	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1	ZINC000770790684	930262188	/nfs/dbraw/zinc/26/21/88/930262188.db2.gz	GIFGJODRWSDXIC-JKSUJKDBSA-N	1	0	358.504	1.325	20	30		FDEDRO
CC[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1	ZINC001109749845	930324552	/nfs/dbraw/zinc/32/45/52/930324552.db2.gz	NNODNBBYNYUVAA-XWSJACJDSA-N	1	0	354.454	1.694	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](C)OC2(CC[NH+](CCOCC)CC2)C1	ZINC001111551381	930406000	/nfs/dbraw/zinc/40/60/00/930406000.db2.gz	ZEWXVYJSDQWJSE-KSZLIROESA-N	1	0	366.502	1.696	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CS(=O)(=O)N(CC)CC)C2	ZINC001109780036	930431443	/nfs/dbraw/zinc/43/14/43/930431443.db2.gz	FYEUXWIHGQAGAV-NCOADZHNSA-N	1	0	371.547	1.734	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1)C2	ZINC001109826515	930529890	/nfs/dbraw/zinc/52/98/90/930529890.db2.gz	LUGGQWDHQAZFKT-ZSXDVEMLSA-N	1	0	358.486	1.976	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C)S(=O)(=O)CC)C2	ZINC001109913898	930751171	/nfs/dbraw/zinc/75/11/71/930751171.db2.gz	YGWQXTSSUWZHKU-FZKCQIBNSA-N	1	0	357.520	1.344	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(=O)NCCCOC)C2	ZINC001109959731	930883949	/nfs/dbraw/zinc/88/39/49/930883949.db2.gz	YKEMIEXMHCTDJB-IKGGRYGDSA-N	1	0	351.491	1.607	20	30		FDEDRO
C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#Cc1ccc(F)cc1	ZINC001109977510	930935837	/nfs/dbraw/zinc/93/58/37/930935837.db2.gz	MBRSUROKEWQTHV-AABGKKOBSA-N	1	0	373.472	1.477	20	30		FDEDRO
C#CCOc1ccc(Br)cc1C[NH2+]CCc1nnnn1C	ZINC000771874654	930938716	/nfs/dbraw/zinc/93/87/16/930938716.db2.gz	CWTFQZPJJNBEQZ-UHFFFAOYSA-N	1	0	350.220	1.317	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)CC1	ZINC000772110614	931080327	/nfs/dbraw/zinc/08/03/27/931080327.db2.gz	UULVIKKIHOMCMC-UHFFFAOYSA-N	1	0	360.366	1.850	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCc2nnc(-c3cccc(C#N)c3)o2)CC1	ZINC000772114938	931083068	/nfs/dbraw/zinc/08/30/68/931083068.db2.gz	RTROVTJVNNHKIF-UHFFFAOYSA-N	1	0	350.378	1.997	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)Nc2cccc(C(=O)NC)c2)CC1	ZINC000772134426	931092788	/nfs/dbraw/zinc/09/27/88/931092788.db2.gz	UANPRNWFJQJCJI-AWEZNQCLSA-N	1	0	371.437	1.262	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc3n[nH]c(=O)n3c1)C2	ZINC001112545426	931428161	/nfs/dbraw/zinc/42/81/61/931428161.db2.gz	JFTNEQHPHBJWEZ-KXBFYZLASA-N	1	0	353.426	1.290	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCn1cccc1)C2	ZINC001112551300	931465019	/nfs/dbraw/zinc/46/50/19/931465019.db2.gz	SCJWKBXXYXZNAI-PXNSSMCTSA-N	1	0	358.486	1.399	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc3ncccn3n1)C2	ZINC001112549064	931513258	/nfs/dbraw/zinc/51/32/58/931513258.db2.gz	HIDXOTGNYFPMKD-JXFKEZNVSA-N	1	0	369.469	1.764	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccnc(NC(C)=O)c1)C2	ZINC001112549791	931517615	/nfs/dbraw/zinc/51/76/15/931517615.db2.gz	QGBQFMMHLYREJA-PXNSSMCTSA-N	1	0	354.454	1.895	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1ccco1)C2	ZINC001112549796	931517623	/nfs/dbraw/zinc/51/76/23/931517623.db2.gz	QKGLNHJVNRDKEM-GUXCAODWSA-N	1	0	359.470	1.731	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCc2cccc(C#N)c2)CC1=O	ZINC000785652632	931526962	/nfs/dbraw/zinc/52/69/62/931526962.db2.gz	JRUZDEUFXRZYAS-ZWKOTPCHSA-N	1	0	355.438	1.934	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(Cn3cccn3)on1)C2	ZINC001112559819	931566303	/nfs/dbraw/zinc/56/63/03/931566303.db2.gz	QVNPBJSINCHOOI-JXFKEZNVSA-N	1	0	367.453	1.775	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@H](C)O)C1	ZINC001112560356	931571534	/nfs/dbraw/zinc/57/15/34/931571534.db2.gz	TWLDOSZCHXBFRP-FTRWYGJKSA-N	1	0	359.470	1.859	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc3c(c1)C(=O)NC3=O)C2	ZINC001112564948	931610206	/nfs/dbraw/zinc/61/02/06/931610206.db2.gz	BATKWXUNILPAEA-BTYIYWSLSA-N	1	0	365.433	1.425	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc3c(c1)C(=O)NC3=O)C2	ZINC001112565109	931610767	/nfs/dbraw/zinc/61/07/67/931610767.db2.gz	KXVOFJPTRUAZSD-BTYIYWSLSA-N	1	0	367.449	1.978	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOC)C1	ZINC001112565401	931611464	/nfs/dbraw/zinc/61/14/64/931611464.db2.gz	ZRYRUDYXKWEJAV-JXFKEZNVSA-N	1	0	357.454	1.572	20	30		FDEDRO
CCNC(=O)CCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#CCOC)C1	ZINC001112565512	931613520	/nfs/dbraw/zinc/61/35/20/931613520.db2.gz	GBZFZUUKKDYGSH-PXNSSMCTSA-N	1	0	363.502	1.161	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H](C)n1cccc1)C2	ZINC001112565580	931613763	/nfs/dbraw/zinc/61/37/63/931613763.db2.gz	IYPHKCUEMBIGCA-WFXMLNOXSA-N	1	0	370.497	1.407	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@H](CC)C(N)=O)C2)cn1	ZINC001112566021	931617012	/nfs/dbraw/zinc/61/70/12/931617012.db2.gz	FZZUXGLVOIMRGD-VPWXQRGCSA-N	1	0	354.454	1.159	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCn3cccn3)C2)cn1	ZINC001112566168	931617656	/nfs/dbraw/zinc/61/76/56/931617656.db2.gz	NUGGPMQEJATAAC-RXVVDRJESA-N	1	0	363.465	1.792	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC(=O)N1C)C2	ZINC001112571931	931651381	/nfs/dbraw/zinc/65/13/81/931651381.db2.gz	VLEZSPCSJORBND-MPGHIAIKSA-N	1	0	353.894	1.968	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O)[NH+]1CCCCC1	ZINC001090439206	931746666	/nfs/dbraw/zinc/74/66/66/931746666.db2.gz	ARQVOZAMLXAVDQ-QRVBRYPASA-N	1	0	371.485	1.129	20	30		FDEDRO
C=C(C)CN(CC)C(=O)COC(=O)CC1([NH+]2CCOCC2)CCCC1	ZINC000786098365	931749372	/nfs/dbraw/zinc/74/93/72/931749372.db2.gz	ASRNFASTXYUSTL-UHFFFAOYSA-N	1	0	352.475	1.989	20	30		FDEDRO
COC[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC#Cc1ccccc1)C2	ZINC001112583276	931753602	/nfs/dbraw/zinc/75/36/02/931753602.db2.gz	LVWZBEVABMZFGR-VWPQPMDRSA-N	1	0	370.493	1.654	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N[C@@H](C)CC)C1	ZINC001112588472	931797715	/nfs/dbraw/zinc/79/77/15/931797715.db2.gz	AMHDYPASPQNZEI-ZWOKBUDYSA-N	1	0	365.518	1.712	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](CCCC)C(N)=O)C1	ZINC001112588903	931801016	/nfs/dbraw/zinc/80/10/16/931801016.db2.gz	BKCAJADIRAFVLI-ZWOKBUDYSA-N	1	0	365.518	1.842	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c(OC)ncnc1OC)C2	ZINC001112592367	931828371	/nfs/dbraw/zinc/82/83/71/931828371.db2.gz	LSEOITSCJUQLCP-LIRRHRJNSA-N	1	0	358.442	1.349	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c(OC)ncnc1OC)C2	ZINC001112592543	931828928	/nfs/dbraw/zinc/82/89/28/931828928.db2.gz	VLDGVCLCIDCWKT-LIRRHRJNSA-N	1	0	360.458	1.902	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)c1cnn(C)c1)C2	ZINC001112593867	931859569	/nfs/dbraw/zinc/85/95/69/931859569.db2.gz	WFKYVMCRECXJJT-KPFFTGBYSA-N	1	0	358.486	1.392	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C(N)=O)ccn1)C2	ZINC001112594350	931869186	/nfs/dbraw/zinc/86/91/86/931869186.db2.gz	CITCLWNWZOCMTJ-JXFKEZNVSA-N	1	0	356.470	1.979	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCCCS(N)(=O)=O)C2	ZINC001112595264	931892492	/nfs/dbraw/zinc/89/24/92/931892492.db2.gz	JCCLVASIKVIRCF-WMZOPIPTSA-N	1	0	369.531	1.077	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1)[C@@H]1CCCO1	ZINC000787614165	932338016	/nfs/dbraw/zinc/33/80/16/932338016.db2.gz	CXTWAJROBRYPMY-KSZLIROESA-N	1	0	363.502	1.156	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CCCO1	ZINC000787752821	932388176	/nfs/dbraw/zinc/38/81/76/932388176.db2.gz	VQLCYNGHQVUSDS-GBESFXJTSA-N	1	0	369.465	1.237	20	30		FDEDRO
C#CCCCNC(=O)C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1	ZINC000788039786	932526145	/nfs/dbraw/zinc/52/61/45/932526145.db2.gz	LSCFTKIZDQVVFS-UHFFFAOYSA-N	1	0	370.497	1.153	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCCNc2ccc(C#N)cn2)C1	ZINC000746750996	932740940	/nfs/dbraw/zinc/74/09/40/932740940.db2.gz	FWIZFJYYFRNZNQ-QGZVFWFLSA-N	1	0	374.489	1.507	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CC[N@@H+](CCC)C2)n1	ZINC000788578362	932745311	/nfs/dbraw/zinc/74/53/11/932745311.db2.gz	UDCXDOBHGTVDDY-KRWDZBQOSA-N	1	0	361.490	1.406	20	30		FDEDRO
C[NH+](C)Cc1ccc(S(=O)(=O)NCCNc2ccc(C#N)cn2)cc1	ZINC000788596687	932750361	/nfs/dbraw/zinc/75/03/61/932750361.db2.gz	ODNBCXOOKLSSTF-UHFFFAOYSA-N	1	0	359.455	1.405	20	30		FDEDRO
COC(=O)CC[NH+]1CCC(=NNC(=S)Nc2ccc(OC)nc2)CC1	ZINC000788713634	932791060	/nfs/dbraw/zinc/79/10/60/932791060.db2.gz	DKYDQMCLUQXZIE-UHFFFAOYSA-N	1	0	365.459	1.392	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)C[NH+]2CCCCC2)n1	ZINC000788865671	932842734	/nfs/dbraw/zinc/84/27/34/932842734.db2.gz	AFEMHIINTMWJIQ-KRWDZBQOSA-N	1	0	361.490	1.549	20	30		FDEDRO
N#Cc1ccccc1CN1C(=O)CN(C[N@@H+]2CC[C@]3(C2)CCCOC3)C1=O	ZINC000789543688	933080512	/nfs/dbraw/zinc/08/05/12/933080512.db2.gz	WWTHKJNCUIWMKZ-FQEVSTJZSA-N	1	0	368.437	1.782	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1	ZINC001086588740	933624206	/nfs/dbraw/zinc/62/42/06/933624206.db2.gz	LREJWIMCZBNKAZ-QXCFHYIPSA-N	1	0	353.466	1.509	20	30		FDEDRO
CC1(C)CN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)CCN1CCO	ZINC000790948695	933798459	/nfs/dbraw/zinc/79/84/59/933798459.db2.gz	DVWBWSPRAWQBLR-UHFFFAOYSA-N	1	0	354.372	1.972	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnn3ncccc23)C1	ZINC001086592794	933838641	/nfs/dbraw/zinc/83/86/41/933838641.db2.gz	IESJGLAVXHCRMP-RBUKOAKNSA-N	1	0	359.433	1.950	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn(C)c(C)cc2=O)C1	ZINC001086593557	933864144	/nfs/dbraw/zinc/86/41/44/933864144.db2.gz	DEYNUIQYZLTATF-AZUAARDMSA-N	1	0	363.461	1.915	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccn(CCOC)n2)C1	ZINC001086599033	934009101	/nfs/dbraw/zinc/00/91/01/934009101.db2.gz	RGPBJBDSFLHCBH-AZUAARDMSA-N	1	0	366.465	1.751	20	30		FDEDRO
C=CCC1(C(=O)OCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CCC1	ZINC000791564406	934063883	/nfs/dbraw/zinc/06/38/83/934063883.db2.gz	LTESMMKTOXAZBU-INIZCTEOSA-N	1	0	352.475	1.749	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@H]1O	ZINC001090457278	934156321	/nfs/dbraw/zinc/15/63/21/934156321.db2.gz	OYCVANPATSHBJF-HUUCEWRRSA-N	1	0	365.865	1.004	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccn3nnnc3c2)C1	ZINC001086603044	934205487	/nfs/dbraw/zinc/20/54/87/934205487.db2.gz	FZGFEMDDZIQMQR-ZWKOTPCHSA-N	1	0	360.421	1.345	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(N(C)C)nn2)C1	ZINC001086620356	938359451	/nfs/dbraw/zinc/35/94/51/938359451.db2.gz	MIBQYNZIIFNWEP-FUHWJXTLSA-N	1	0	351.454	1.926	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1CN(CC#C)C[C@H]1c1ccccc1	ZINC001086620987	938368922	/nfs/dbraw/zinc/36/89/22/938368922.db2.gz	WSRUAEMYEMUICC-VQTJNVASSA-N	1	0	359.429	1.925	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(F)c(N3C(=O)CNC3=O)c2)CC1	ZINC000794296454	938382815	/nfs/dbraw/zinc/38/28/15/938382815.db2.gz	NDVPFAOSIDIUQA-UHFFFAOYSA-N	1	0	358.373	1.166	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)no2)[C@@H](n2ccnn2)C1	ZINC001129396647	938402392	/nfs/dbraw/zinc/40/23/92/938402392.db2.gz	KKKMWZGGLCLDOU-UPJWGTAASA-N	1	0	364.837	1.930	20	30		FDEDRO
CCc1ccc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@@H]2n2ccnn2)cc1	ZINC001129411687	938406622	/nfs/dbraw/zinc/40/66/22/938406622.db2.gz	BPJUPQPULYEGGS-MOPGFXCFSA-N	1	0	367.453	1.146	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)Oc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129412805	938408500	/nfs/dbraw/zinc/40/85/00/938408500.db2.gz	XTMCITJWBXZRLS-JQHSSLGASA-N	1	0	355.442	1.663	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)COc2ccc(CC)cc2)[C@@H](n2ccnn2)C1	ZINC001129418010	938409831	/nfs/dbraw/zinc/40/98/31/938409831.db2.gz	OHRDFEVXUGEBIW-MOPGFXCFSA-N	1	0	367.453	1.284	20	30		FDEDRO
C#CCNc1nc(NC[C@H]2CCCCO2)[nH+]c(NC[C@H]2CCCCO2)n1	ZINC000804376013	938414483	/nfs/dbraw/zinc/41/44/83/938414483.db2.gz	CXPSAASBNFQMDA-HUUCEWRRSA-N	1	0	360.462	1.879	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](NC(=O)CCCOc2cccnc2)[C@@H](n2ccnn2)C1	ZINC001129445546	938418663	/nfs/dbraw/zinc/41/86/63/938418663.db2.gz	PUOJYBGGTSYYJL-MSOLQXFVSA-N	1	0	370.457	1.450	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)COc2cccc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129438100	938425249	/nfs/dbraw/zinc/42/52/49/938425249.db2.gz	OIYWUKWGAXXLIQ-MSOLQXFVSA-N	1	0	353.426	1.030	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)c2ccc(F)cc2)[C@@H](n2ccnn2)C1	ZINC001129470497	938430289	/nfs/dbraw/zinc/43/02/89/938430289.db2.gz	JOVWXPPHUMVHDR-OTWHNJEPSA-N	1	0	369.444	1.976	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)c2cnn(C)c2)[C@@H](n2ccnn2)C1	ZINC001129490959	938442930	/nfs/dbraw/zinc/44/29/30/938442930.db2.gz	XDMYNCFRYFJFDP-UAGQMJEPSA-N	1	0	357.462	1.123	20	30		FDEDRO
CC(C)CC(=O)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129529174	938445897	/nfs/dbraw/zinc/44/58/97/938445897.db2.gz	FZXAZPNZVVVCBN-MOPGFXCFSA-N	1	0	351.454	1.717	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2c(C)csc2=O)C1	ZINC001086623033	938447103	/nfs/dbraw/zinc/44/71/03/938447103.db2.gz	HFPZAEXMSKZJRG-ZWKOTPCHSA-N	1	0	369.490	1.826	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001129516704	938448571	/nfs/dbraw/zinc/44/85/71/938448571.db2.gz	YCEIEOJFAMHMQG-SJORKVTESA-N	1	0	359.405	1.275	20	30		FDEDRO
CC(C)CCC[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@@H]1n1ccnn1	ZINC001129603974	938463223	/nfs/dbraw/zinc/46/32/23/938463223.db2.gz	RSFSSIFZWOKTKT-CABCVRRESA-N	1	0	350.492	1.313	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCCO2)C[C@@H]1n1ccnn1	ZINC001129607761	938463757	/nfs/dbraw/zinc/46/37/57/938463757.db2.gz	AVJWYZPBZSUSCZ-KURKYZTESA-N	1	0	361.490	1.935	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cn2cc(C)cn2)C[C@@H]1n1ccnn1	ZINC001129638174	938475882	/nfs/dbraw/zinc/47/58/82/938475882.db2.gz	QMKLMQSVOWGWPR-MSOLQXFVSA-N	1	0	371.489	1.571	20	30		FDEDRO
CO[C@@H](C)CC(=O)N1C[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@@H](n2ccnn2)C1	ZINC001129670958	938479260	/nfs/dbraw/zinc/47/92/60/938479260.db2.gz	BUOLTOLCLXKCHS-QGTPRVQTSA-N	1	0	368.441	1.116	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]([NH2+][C@H](C)c2ccccc2C)[C@@H](n2ccnn2)C1	ZINC001129681274	938484134	/nfs/dbraw/zinc/48/41/34/938484134.db2.gz	MWERKBKNTOSBOS-QRQLOZEOSA-N	1	0	369.469	1.892	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccc(F)nc2)C[C@@H]1n1ccnn1	ZINC001129683738	938484580	/nfs/dbraw/zinc/48/45/80/938484580.db2.gz	AIFVFGRFMPAMHP-BMFZPTHFSA-N	1	0	358.421	1.822	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C)n2)C[C@@H]1n1ccnn1	ZINC001129704134	938489736	/nfs/dbraw/zinc/48/97/36/938489736.db2.gz	TYQDYUBBBDZLBC-SJORKVTESA-N	1	0	359.478	1.935	20	30		FDEDRO
C#CCNc1nc(N[C@H]2CCCOCC2)[nH+]c(N[C@H]2CCCOCC2)n1	ZINC000804596494	938489977	/nfs/dbraw/zinc/48/99/77/938489977.db2.gz	METMVBYLSWPQKQ-GJZGRUSLSA-N	1	0	360.462	1.879	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1	ZINC001129675033	938490216	/nfs/dbraw/zinc/49/02/16/938490216.db2.gz	FEHJVHLKUZKBJR-JQHSSLGASA-N	1	0	370.457	1.196	20	30		FDEDRO
CO[C@H](C)CC(=O)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129675626	938490430	/nfs/dbraw/zinc/49/04/30/938490430.db2.gz	UWWXNDUOAIIDKH-QRQLOZEOSA-N	1	0	367.453	1.096	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n2ccnn2)C1	ZINC001129733260	938496706	/nfs/dbraw/zinc/49/67/06/938496706.db2.gz	PVMFSDUQEDBBMR-WBNAFJIESA-N	1	0	353.854	1.355	20	30		FDEDRO
C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C2CC2)N2CCOCC2)C1	ZINC001086624969	938507469	/nfs/dbraw/zinc/50/74/69/938507469.db2.gz	CZGVDTMVLZUUFF-HBMCJLEFSA-N	1	0	369.509	1.867	20	30		FDEDRO
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]Cc1ccccc1C#N	ZINC001129798648	938511315	/nfs/dbraw/zinc/51/13/15/938511315.db2.gz	ZLWVTBARKZMHJK-QZTJIDSGSA-N	1	0	367.453	1.665	20	30		FDEDRO
N#Cc1ccccc1C[NH2+]CCNC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O	ZINC001129798624	938511484	/nfs/dbraw/zinc/51/14/84/938511484.db2.gz	XXCRNMYMIGVTEY-MOPGFXCFSA-N	1	0	368.481	1.945	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3n[nH]cc32)C[C@@H]1n1ccnn1	ZINC001129845740	938525616	/nfs/dbraw/zinc/52/56/16/938525616.db2.gz	TUWLMSFWSAQZHK-XYPHTWIQSA-N	1	0	355.446	1.039	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnc3n2[C@H](C)CCC3)C[C@@H]1n1ccnn1	ZINC001129864127	938531907	/nfs/dbraw/zinc/53/19/07/938531907.db2.gz	QAIZWKIRBKXBEO-INMHGKMJSA-N	1	0	367.457	1.051	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc(OCC)nc2)C[C@@H]1n1ccnn1	ZINC001129884973	938539173	/nfs/dbraw/zinc/53/91/73/938539173.db2.gz	YIDCMPLWAUQWDI-SJORKVTESA-N	1	0	370.457	1.693	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(F)(F)C2)C[C@@H]1n1ccnn1	ZINC001129887505	938540102	/nfs/dbraw/zinc/54/01/02/938540102.db2.gz	CCNDPUAJQFUGAF-KFWWJZLASA-N	1	0	369.416	1.258	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc3ccccc3n2)C[C@@H]1n1ccnn1	ZINC001129892392	938543177	/nfs/dbraw/zinc/54/31/77/938543177.db2.gz	UZPVKKOGDILVGZ-MSOLQXFVSA-N	1	0	363.425	1.453	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(F)cccc2OC)C[C@@H]1n1ccnn1	ZINC001129876228	938546539	/nfs/dbraw/zinc/54/65/39/938546539.db2.gz	FTVNPRNKVADRMB-CABCVRRESA-N	1	0	359.405	1.657	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC=CCCC2)C[C@@H]1n1ccnn1	ZINC001129906869	938548810	/nfs/dbraw/zinc/54/88/10/938548810.db2.gz	DVHUWHSNKSLTLE-OTWHNJEPSA-N	1	0	371.485	1.406	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)COC/C=C\c2ccccc2)C[C@@H]1n1ccnn1	ZINC001129910106	938549709	/nfs/dbraw/zinc/54/97/09/938549709.db2.gz	DBVWYSAKEGOMKL-HJYXSIQESA-N	1	0	367.453	1.536	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3ccccc32)C[C@@H]1n1ccnn1	ZINC001129912437	938551222	/nfs/dbraw/zinc/55/12/22/938551222.db2.gz	GGQTVLGMCVQZPZ-AQNXPRMDSA-N	1	0	363.465	1.763	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(F)cc3ccoc32)C[C@@H]1n1ccnn1	ZINC001129916849	938553868	/nfs/dbraw/zinc/55/38/68/938553868.db2.gz	FUEIECIWQXOZAJ-SJORKVTESA-N	1	0	367.384	1.842	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccn3c2CCCC3)C[C@@H]1n1ccnn1	ZINC001129896193	938557304	/nfs/dbraw/zinc/55/73/04/938557304.db2.gz	SCFOUIZJTDRRCX-AEFFLSMTSA-N	1	0	354.458	1.647	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccnc(CCC)c2)C[C@@H]1n1ccnn1	ZINC001129899740	938559561	/nfs/dbraw/zinc/55/95/61/938559561.db2.gz	KDMWBLYCCMQQQQ-MSOLQXFVSA-N	1	0	354.458	1.857	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCCc2ccsc2)C[C@@H]1n1ccnn1	ZINC001129902465	938561481	/nfs/dbraw/zinc/56/14/81/938561481.db2.gz	MPGYNVIIILSDAM-SJORKVTESA-N	1	0	357.483	1.727	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)n2ccnc2)C[C@@H]1n1ccnn1	ZINC001129902654	938561744	/nfs/dbraw/zinc/56/17/44/938561744.db2.gz	WWOQDCMRMDXKEA-SQNIBIBYSA-N	1	0	371.489	1.680	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)c(C)n2)C[C@@H]1n1ccnn1	ZINC001129934250	938563601	/nfs/dbraw/zinc/56/36/01/938563601.db2.gz	WIPUHSGDQLOPJF-MSOLQXFVSA-N	1	0	370.457	1.148	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)nc3C2)C[C@@H]1n1ccnn1	ZINC001129918551	938567174	/nfs/dbraw/zinc/56/71/74/938567174.db2.gz	DCGFOBFCEYCSHE-QGTPRVQTSA-N	1	0	369.473	1.032	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc(C(C)C)n2)C[C@@H]1n1ccnn1	ZINC001129924835	938570523	/nfs/dbraw/zinc/57/05/23/938570523.db2.gz	KMGZNLSCNBLJOK-MSOLQXFVSA-N	1	0	352.442	1.475	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccccc2CCC)C[C@@H]1n1ccnn1	ZINC001129928753	938572184	/nfs/dbraw/zinc/57/21/84/938572184.db2.gz	KAYFPFMNHVRKTP-MOPGFXCFSA-N	1	0	351.454	1.909	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C[C@@H]1n1ccnn1	ZINC001129930277	938572737	/nfs/dbraw/zinc/57/27/37/938572737.db2.gz	BFZWZFQBMUUXHZ-MANSERQUSA-N	1	0	373.501	1.649	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3[nH]nc(C)c3c2)C[C@@H]1n1ccnn1	ZINC001129930766	938573344	/nfs/dbraw/zinc/57/33/44/938573344.db2.gz	SWUPJXWFSPRMLE-MSOLQXFVSA-N	1	0	363.425	1.141	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1	ZINC001086626348	938574751	/nfs/dbraw/zinc/57/47/51/938574751.db2.gz	IIQGSRQTAXEOHB-KSZLIROESA-N	1	0	356.470	1.690	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)nc2C(C)C)C[C@@H]1n1ccnn1	ZINC001129952318	938575321	/nfs/dbraw/zinc/57/53/21/938575321.db2.gz	OQCNYWOQCGCVGW-MSOLQXFVSA-N	1	0	366.469	1.784	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnc3ccsc3c2)C[C@@H]1n1ccnn1	ZINC001129963764	938579298	/nfs/dbraw/zinc/57/92/98/938579298.db2.gz	DEUFVJRQEQFJEN-CVEARBPZSA-N	1	0	366.450	1.566	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)on2)C[C@@H]1n1ccnn1	ZINC001129947826	938582291	/nfs/dbraw/zinc/58/22/91/938582291.db2.gz	QKVLILWTEFEIFL-CVEARBPZSA-N	1	0	356.430	1.765	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C(F)(F)F)C[C@@H]1n1ccnn1	ZINC001129969134	938586474	/nfs/dbraw/zinc/58/64/74/938586474.db2.gz	FZNGKONMPSVVFT-UPJWGTAASA-N	1	0	361.368	1.021	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cncn2C)[C@@H](n2ccnn2)C1	ZINC001129977682	938592780	/nfs/dbraw/zinc/59/27/80/938592780.db2.gz	BLOHSEPGTBDXDI-OIISXLGYSA-N	1	0	357.462	1.156	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H]([NH2+]Cc2cnn(C)c2)[C@@H](n2ccnn2)C1	ZINC001129978238	938594020	/nfs/dbraw/zinc/59/40/20/938594020.db2.gz	WWHQYDPKMCAMDU-OIISXLGYSA-N	1	0	357.462	1.156	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3ccccc32)C[C@@H]1n1ccnn1	ZINC001129982280	938597115	/nfs/dbraw/zinc/59/71/15/938597115.db2.gz	CHQZTHGCBJJYLI-QRVBRYPASA-N	1	0	367.453	1.162	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3cccnc32)C[C@@H]1n1ccnn1	ZINC001129983241	938598163	/nfs/dbraw/zinc/59/81/63/938598163.db2.gz	TWIIOKAQNUHUAK-KURKYZTESA-N	1	0	366.469	1.711	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)Cc2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001129984841	938599502	/nfs/dbraw/zinc/59/95/02/938599502.db2.gz	DVDWICBNGDSEOA-MOPGFXCFSA-N	1	0	369.469	1.373	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C2(c3cc(C)no3)CC2)C[C@@H]1n1ccnn1	ZINC001129976210	938600683	/nfs/dbraw/zinc/60/06/83/938600683.db2.gz	IFORFESQNWPPEY-CVEARBPZSA-N	1	0	370.457	1.614	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]([NH2+]CC(CC)CC)[C@@H](n3ccnn3)C2)c1	ZINC001129997235	938605272	/nfs/dbraw/zinc/60/52/72/938605272.db2.gz	FERIRRTVAOONPU-MOPGFXCFSA-N	1	0	366.469	1.746	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCCSc2nccs2)CC1	ZINC000804891710	938609958	/nfs/dbraw/zinc/60/99/58/938609958.db2.gz	PSCBLPHVPSPHNW-UHFFFAOYSA-N	1	0	368.528	1.508	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2conc2C2CC2)C[C@@H]1n1ccnn1	ZINC001130002896	938609984	/nfs/dbraw/zinc/60/99/84/938609984.db2.gz	VQOHUQVGRQSLFU-CVEARBPZSA-N	1	0	356.430	1.765	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)CC1	ZINC000804891932	938610883	/nfs/dbraw/zinc/61/08/83/938610883.db2.gz	SSIMSGWMRKPAJO-UHFFFAOYSA-N	1	0	358.486	1.444	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2ccc(Cl)nc2)CC1	ZINC000804893269	938610927	/nfs/dbraw/zinc/61/09/27/938610927.db2.gz	RHVBJWDKELFQEU-UHFFFAOYSA-N	1	0	350.850	1.160	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cccnc2C)C[C@@H]1n1ccnn1	ZINC001129988178	938611219	/nfs/dbraw/zinc/61/12/19/938611219.db2.gz	KBPUUTZJTLDLLZ-QGTPRVQTSA-N	1	0	354.458	1.992	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2cc(C)cc(C)c2)C[C@@H]1n1ccnn1	ZINC001129991933	938613539	/nfs/dbraw/zinc/61/35/39/938613539.db2.gz	CZWJEBBOMNKRNO-MOPGFXCFSA-N	1	0	351.454	1.502	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cn2cc(Cl)cn2)C[C@@H]1n1ccnn1	ZINC001130023865	938617477	/nfs/dbraw/zinc/61/74/77/938617477.db2.gz	BRHFDBKKTZNNPH-CABCVRRESA-N	1	0	363.853	1.136	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130020373	938619213	/nfs/dbraw/zinc/61/92/13/938619213.db2.gz	CQSJSQDQAXUSFK-QRQLOZEOSA-N	1	0	369.469	1.801	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccnc(N(C)C)c2)C[C@@H]1n1ccnn1	ZINC001130023220	938621219	/nfs/dbraw/zinc/62/12/19/938621219.db2.gz	XQHVGTAZXYPQAV-SJORKVTESA-N	1	0	369.473	1.361	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2ccc(C)n2)C[C@@H]1n1ccnn1	ZINC001130007694	938625281	/nfs/dbraw/zinc/62/52/81/938625281.db2.gz	RBNJSYYRAFDFID-UAGQMJEPSA-N	1	0	357.462	1.179	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(CC)CC)[C@@H](n2ccnn2)C1	ZINC001130009327	938626188	/nfs/dbraw/zinc/62/61/88/938626188.db2.gz	JLRCABSJKYEXRM-BDXSIMOUSA-N	1	0	361.490	1.647	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(C)nc(C)n2)C[C@@H]1n1ccnn1	ZINC001130038214	938636370	/nfs/dbraw/zinc/63/63/70/938636370.db2.gz	SDMFESKLQIBAHM-VHSSKADRSA-N	1	0	369.473	1.695	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnn(CCC)c2C)C[C@@H]1n1ccnn1	ZINC001130054461	938639630	/nfs/dbraw/zinc/63/96/30/938639630.db2.gz	FAPSJYGEMIMGRY-MSOLQXFVSA-N	1	0	371.489	1.815	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(C)c2Cl)C[C@@H]1n1ccnn1	ZINC001130054740	938639966	/nfs/dbraw/zinc/63/99/66/938639966.db2.gz	MXQLCCHSDTYSRG-CVEARBPZSA-N	1	0	357.845	1.919	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc(OC(C)C)n2)C[C@@H]1n1ccnn1	ZINC001130062770	938650989	/nfs/dbraw/zinc/65/09/89/938650989.db2.gz	WLUKLIJDGIGMJN-SJORKVTESA-N	1	0	370.457	1.692	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2(CC)CCCC2)C[C@@H]1n1ccnn1	ZINC001130065635	938653439	/nfs/dbraw/zinc/65/34/39/938653439.db2.gz	MQDWPLAHWIAGBV-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cn(C(C)C)nc2C)C[C@@H]1n1ccnn1	ZINC001130084101	938665926	/nfs/dbraw/zinc/66/59/26/938665926.db2.gz	ZTBJKGAUFNXQOD-SJORKVTESA-N	1	0	355.446	1.043	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](F)CC2CCCCC2)C[C@@H]1n1ccnn1	ZINC001130086255	938667698	/nfs/dbraw/zinc/66/76/98/938667698.db2.gz	SOHWPMQEVYRCKQ-KSZLIROESA-N	1	0	361.465	1.951	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn([C@@H](C)CC)c2C)C[C@@H]1n1ccnn1	ZINC001130077547	938670869	/nfs/dbraw/zinc/67/08/69/938670869.db2.gz	NDFWWDLNTWVGPZ-QGTPRVQTSA-N	1	0	371.489	1.985	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@@H](OC)C(F)(F)F)C[C@@H]1n1ccnn1	ZINC001130077646	938670888	/nfs/dbraw/zinc/67/08/88/938670888.db2.gz	STHLZQBNACMJJN-FRRDWIJNSA-N	1	0	361.368	1.163	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cccnc2)C[C@@H]1n1ccnn1	ZINC001130088660	938674876	/nfs/dbraw/zinc/67/48/76/938674876.db2.gz	CFNGGPMDJZJGGM-NXHRZFHOSA-N	1	0	354.458	1.785	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]([NH2+]CCC(C)C)[C@@H](n2ccnn2)C1	ZINC001130109572	938688361	/nfs/dbraw/zinc/68/83/61/938688361.db2.gz	BIBYUHQVUSVWFQ-UXHICEINSA-N	1	0	365.481	1.890	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130109582	938688383	/nfs/dbraw/zinc/68/83/83/938688383.db2.gz	BRNHZPCPZGTBKI-UHOSZYNNSA-N	1	0	369.469	1.453	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(CC=C)CCOCC2)C[C@@H]1n1ccnn1	ZINC001130109623	938688420	/nfs/dbraw/zinc/68/84/20/938688420.db2.gz	DDIARZJBOGPQFI-SJORKVTESA-N	1	0	357.458	1.016	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130112204	938690895	/nfs/dbraw/zinc/69/08/95/938690895.db2.gz	RGAZFMXOMWPJTK-NXHRZFHOSA-N	1	0	353.426	1.110	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001130112843	938692613	/nfs/dbraw/zinc/69/26/13/938692613.db2.gz	UBOQUIQSACPDCT-MSOLQXFVSA-N	1	0	351.454	1.882	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc3n[nH]nc3c2)C[C@@H]1n1ccnn1	ZINC001130120966	938703744	/nfs/dbraw/zinc/70/37/44/938703744.db2.gz	HMJPCAXEJKDUDU-SJORKVTESA-N	1	0	366.429	1.171	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc(NC(N)=O)c2)C[C@@H]1n1ccnn1	ZINC001130123315	938705327	/nfs/dbraw/zinc/70/53/27/938705327.db2.gz	NDCDJSKYHMYOAS-CVEARBPZSA-N	1	0	369.429	1.000	20	30		FDEDRO
O=C(CC#Cc1ccccc1)N1C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n2ccnn2)C1	ZINC001130133939	938708609	/nfs/dbraw/zinc/70/86/09/938708609.db2.gz	KSYJPXXHQRBJAH-BSDYQHLTSA-N	1	0	369.856	1.814	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C2(CCOC)CCCC2)C[C@@H]1n1ccnn1	ZINC001130155328	938718444	/nfs/dbraw/zinc/71/84/44/938718444.db2.gz	AVLGWFFEEPUQEV-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c3ccc(F)cc32)C[C@@H]1n1ccnn1	ZINC001130155618	938718658	/nfs/dbraw/zinc/71/86/58/938718658.db2.gz	RZAQIPUPVGGTIK-MSOLQXFVSA-N	1	0	366.400	1.577	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC23CCOCC3)C[C@@H]1n1ccnn1	ZINC001130158796	938720178	/nfs/dbraw/zinc/72/01/78/938720178.db2.gz	ROUBZLXGLSTXKH-BBWFWOEESA-N	1	0	359.474	1.403	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](OC)C2CCCCC2)C[C@@H]1n1ccnn1	ZINC001130160782	938721098	/nfs/dbraw/zinc/72/10/98/938721098.db2.gz	AXJCZJDMXFPYLC-FGTMMUONSA-N	1	0	359.474	1.238	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](OC(C)C)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130161513	938721737	/nfs/dbraw/zinc/72/17/37/938721737.db2.gz	XGIJMDPAMIEMJA-QYZOEREBSA-N	1	0	367.453	1.419	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC2CCCC2)[nH]1	ZINC001130177553	938725062	/nfs/dbraw/zinc/72/50/62/938725062.db2.gz	HEMPVKABNPLZMX-HOTGVXAUSA-N	1	0	359.474	1.487	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=Cc2ccco2)[nH]1	ZINC001130177656	938725192	/nfs/dbraw/zinc/72/51/92/938725192.db2.gz	NDFKNOWPPMJKOT-MIVXPEEVSA-N	1	0	369.425	1.213	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(C)s2)n1	ZINC001130177601	938725356	/nfs/dbraw/zinc/72/53/56/938725356.db2.gz	JTZIASUFVFBHPY-STQMWFEESA-N	1	0	359.455	1.200	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)F)[nH]1	ZINC001130179333	938726425	/nfs/dbraw/zinc/72/64/25/938726425.db2.gz	BHCPIKHJSRVTOS-RDBSUJKOSA-N	1	0	367.469	1.986	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(F)F)[nH]1	ZINC001130181257	938728501	/nfs/dbraw/zinc/72/85/01/938728501.db2.gz	DJNOAZXFVPIDAY-RYUDHWBXSA-N	1	0	357.405	1.504	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccncc2)[nH]1	ZINC001130181586	938728931	/nfs/dbraw/zinc/72/89/31/938728931.db2.gz	MFWKDUQLAIQTRY-HOTGVXAUSA-N	1	0	370.457	1.558	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCSCC)[nH]1	ZINC001130187074	938732670	/nfs/dbraw/zinc/73/26/70/938732670.db2.gz	UGBNYPDHYHXZOT-STQMWFEESA-N	1	0	353.492	1.212	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCCOC)n1	ZINC001130187013	938732723	/nfs/dbraw/zinc/73/27/23/938732723.db2.gz	RWSOCGKUVGZEQC-STQMWFEESA-N	1	0	371.869	1.062	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccoc2C)n1	ZINC001130187796	938733891	/nfs/dbraw/zinc/73/38/91/938733891.db2.gz	JTTBRXBQNJNOKA-GJZGRUSLSA-N	1	0	357.414	1.122	20	30		FDEDRO
C=CCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C[C@H](CC)OC)[nH]1	ZINC001130193400	938738316	/nfs/dbraw/zinc/73/83/16/938738316.db2.gz	VYYOGJQEAUIDIV-KKUMJFAQSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)on2)[nH]1	ZINC001130182790	938741442	/nfs/dbraw/zinc/74/14/42/938741442.db2.gz	BTUKKADRCKYXGR-JSGCOSHPSA-N	1	0	360.418	1.069	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCSC)[nH]1	ZINC001130183095	938742532	/nfs/dbraw/zinc/74/25/32/938742532.db2.gz	PQDUPMFKLYGNGR-KBPBESRZSA-N	1	0	367.519	1.602	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c(C)coc2C)[nH]1	ZINC001130207480	938746703	/nfs/dbraw/zinc/74/67/03/938746703.db2.gz	CEAPURBOTORYMG-GJZGRUSLSA-N	1	0	371.441	1.430	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)/C=C(/C)CC)n1	ZINC001130207848	938746872	/nfs/dbraw/zinc/74/68/72/938746872.db2.gz	SHXOWUGXUZKARY-YYPKPTOCSA-N	1	0	367.881	1.992	20	30		FDEDRO
C#CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C/C=C/Cl)[nH]1	ZINC001130209509	938747616	/nfs/dbraw/zinc/74/76/16/938747616.db2.gz	DPNOTUPHWDKQHU-NSDHSQQOSA-N	1	0	365.865	1.439	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C#CC2CC2)[nH]1	ZINC001130213279	938750367	/nfs/dbraw/zinc/75/03/67/938750367.db2.gz	XMGVFTYKTVVWBR-HOTGVXAUSA-N	1	0	357.458	1.263	20	30		FDEDRO
C#CCC1(C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CC=C)[nH]2)CCC1	ZINC001130216152	938752760	/nfs/dbraw/zinc/75/27/60/938752760.db2.gz	OGPHCIIZBDCWOW-GJZGRUSLSA-N	1	0	357.458	1.263	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCCC23CC3)n1	ZINC001130221110	938756721	/nfs/dbraw/zinc/75/67/21/938756721.db2.gz	VKFBRVBZBJOPGA-KKUMJFAQSA-N	1	0	357.458	1.097	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)[nH]1	ZINC001130223414	938757518	/nfs/dbraw/zinc/75/75/18/938757518.db2.gz	SGUOLRYPDGMAAD-YJNKXOJESA-N	1	0	361.490	1.751	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](F)CC)[nH]1	ZINC001130227883	938762121	/nfs/dbraw/zinc/76/21/21/938762121.db2.gz	TVSPIJVHELWJHV-IHRRRGAJSA-N	1	0	353.442	1.597	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)[nH]1	ZINC001130234648	938765967	/nfs/dbraw/zinc/76/59/67/938765967.db2.gz	GCYNBLJIEKGEPN-OTJKEOIZSA-N	1	0	359.474	1.505	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C)CC=CC2)[nH]1	ZINC001130234775	938766129	/nfs/dbraw/zinc/76/61/29/938766129.db2.gz	LAAHVQODLJFYJZ-GJZGRUSLSA-N	1	0	359.474	1.815	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(CF)CC2)[nH]1	ZINC001130235177	938766590	/nfs/dbraw/zinc/76/65/90/938766590.db2.gz	WVXLRFZGWHBVOK-STQMWFEESA-N	1	0	351.426	1.209	20	30		FDEDRO
C=CCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC(=C)Cl)n[nH]1	ZINC001130237877	938767326	/nfs/dbraw/zinc/76/73/26/938767326.db2.gz	HTEJXHNUUHLPFY-KBPBESRZSA-N	1	0	367.881	1.992	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2cccc(C)c2)n1	ZINC001130240612	938768475	/nfs/dbraw/zinc/76/84/75/938768475.db2.gz	VZZUQUHIDFCPFQ-IRXDYDNUSA-N	1	0	367.453	1.067	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C)c(CC)o2)n1	ZINC001130246703	938772231	/nfs/dbraw/zinc/77/22/31/938772231.db2.gz	NEKZGYGOSGBYJK-BBRMVZONSA-N	1	0	371.441	1.294	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](CC)SC)CC1	ZINC001130281619	938779426	/nfs/dbraw/zinc/77/94/26/938779426.db2.gz	KIYPISXFOVKKJP-VYDXJSESSA-N	1	0	353.532	1.789	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COCC2CC2)CC1	ZINC001130271637	938785417	/nfs/dbraw/zinc/78/54/17/938785417.db2.gz	LAHQOZGHKUASEE-XLIONFOSSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2ccon2)CC1	ZINC001130274351	938786510	/nfs/dbraw/zinc/78/65/10/938786510.db2.gz	JIWWNIXAJVKEDU-QAPCUYQASA-N	1	0	360.458	1.730	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)OCC)CC1	ZINC001130276521	938787276	/nfs/dbraw/zinc/78/72/76/938787276.db2.gz	DDKMRVYIBDCVRK-LESCRADOSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC(F)(F)F)CC1	ZINC001130278924	938789047	/nfs/dbraw/zinc/78/90/47/938789047.db2.gz	LHSZUCMWGHBPDJ-CJNGLKHVSA-N	1	0	361.408	1.990	20	30		FDEDRO
C=CCOCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)/C(C)=C\C)CC1	ZINC001130285588	938790433	/nfs/dbraw/zinc/79/04/33/938790433.db2.gz	LITTXKZFPQOFQR-XLTYRZSFSA-N	1	0	363.502	1.631	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC2CC2)CC1	ZINC001130287792	938792594	/nfs/dbraw/zinc/79/25/94/938792594.db2.gz	DXUJHMHCBUEXDR-LSTHTHJFSA-N	1	0	363.502	1.199	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC(C)C)CC1	ZINC001130290664	938795400	/nfs/dbraw/zinc/79/54/00/938795400.db2.gz	JYCJHKFJHIGYKS-SUMDDJOVSA-N	1	0	363.502	1.156	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@@H](C)O)CC1	ZINC001130295603	938797934	/nfs/dbraw/zinc/79/79/34/938797934.db2.gz	JQZJYSGEJMBPLS-MDYRTPRTSA-N	1	0	363.502	1.036	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](CCC)OCC)CC1	ZINC001130295841	938798282	/nfs/dbraw/zinc/79/82/82/938798282.db2.gz	VEBGMAIBAJTVRV-AOIWGVFYSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(C)(C)C(F)F)CC1	ZINC001130299148	938799581	/nfs/dbraw/zinc/79/95/81/938799581.db2.gz	ZAMANKVPEFRRHT-HIFRSBDPSA-N	1	0	357.445	1.939	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2(CF)CCC2)CC1	ZINC001130302412	938800884	/nfs/dbraw/zinc/80/08/84/938800884.db2.gz	YQRATQCIFSLAKH-AEFFLSMTSA-N	1	0	363.477	1.625	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)OCC=C)CC1	ZINC001130313429	938807847	/nfs/dbraw/zinc/80/78/47/938807847.db2.gz	ZJMFPEUUOWABRF-SUMDDJOVSA-N	1	0	361.486	1.076	20	30		FDEDRO
C#CCN1CCN(C(=O)CN(CC[NH+]2CCCCCC2)C2CCC2)CC1	ZINC000805793427	938824628	/nfs/dbraw/zinc/82/46/28/938824628.db2.gz	YGTMYMRGBKSCGW-UHFFFAOYSA-N	1	0	360.546	1.494	20	30		FDEDRO
C=CCCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2OCCO[C@H]2C)C1	ZINC001130395309	938828867	/nfs/dbraw/zinc/82/88/67/938828867.db2.gz	HJWPRBBSAOEAEQ-DAYGRLMNSA-N	1	0	362.474	1.585	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccncc1	ZINC000805815153	938831861	/nfs/dbraw/zinc/83/18/61/938831861.db2.gz	KRUWSAWDFUSFIU-QZTJIDSGSA-N	1	0	356.470	1.948	20	30		FDEDRO
Cn1ncc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000805995404	938869686	/nfs/dbraw/zinc/86/96/86/938869686.db2.gz	CDUIKVBOYGVLMC-UHFFFAOYSA-N	1	0	353.430	1.104	20	30		FDEDRO
COCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001130482689	938876956	/nfs/dbraw/zinc/87/69/56/938876956.db2.gz	ATVAGSYOLWUGEJ-PKOBYXMFSA-N	1	0	367.453	1.412	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1c1cn(C)cn1	ZINC001130488447	938880656	/nfs/dbraw/zinc/88/06/56/938880656.db2.gz	WKMGFPLCDJSAAT-VDZJLULYSA-N	1	0	369.469	1.606	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(CC)n[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130502278	938885250	/nfs/dbraw/zinc/88/52/50/938885250.db2.gz	FFWUXJKCBYSOOU-MAUKXSAKSA-N	1	0	356.474	1.870	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cn2cc(C)cn2)C[C@H]1c1cn(C)cn1	ZINC001130522701	938897883	/nfs/dbraw/zinc/89/78/83/938897883.db2.gz	UXBUNXKWEDWWMG-FUHWJXTLSA-N	1	0	356.474	1.475	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C=C2CCCCC2)C[C@H]1c1cn(C)cn1	ZINC001130522620	938897920	/nfs/dbraw/zinc/89/79/20/938897920.db2.gz	QXQSIVFUDVRNSV-AZUAARDMSA-N	1	0	370.497	1.844	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)CC1	ZINC001136630382	945232078	/nfs/dbraw/zinc/23/20/78/945232078.db2.gz	PGECOFDONHOGLZ-UHFFFAOYSA-N	1	0	370.862	1.429	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCOCC)C1	ZINC001130576359	939879078	/nfs/dbraw/zinc/87/90/78/939879078.db2.gz	NIGCVDRAVKUIRC-PKOBYXMFSA-N	1	0	360.502	1.924	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130600424	939895475	/nfs/dbraw/zinc/89/54/75/939895475.db2.gz	FGSVAFRENFDMFZ-MAUKXSAKSA-N	1	0	366.469	1.252	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)c2C)C[C@H]1c1cn(C)cn1	ZINC001130600273	939895509	/nfs/dbraw/zinc/89/55/09/939895509.db2.gz	ARCSVZVRVIVFBQ-PKOBYXMFSA-N	1	0	368.485	1.002	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCCOc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000819750464	945279934	/nfs/dbraw/zinc/27/99/34/945279934.db2.gz	FJRGBDPSCDCVHC-UHFFFAOYSA-N	1	0	371.445	1.195	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cncs2)C1	ZINC001130590554	939897552	/nfs/dbraw/zinc/89/75/52/939897552.db2.gz	WKVMSWZPVPOGPY-DOTOQJQBSA-N	1	0	357.483	1.620	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C/C=C\Cl)C1	ZINC001130593125	939900303	/nfs/dbraw/zinc/90/03/03/939900303.db2.gz	QXJIDSLMPWCZGO-WJSYSJJLSA-N	1	0	350.850	1.095	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCO[C@H]2C(C)C)C[C@H]1c1cn(C)cn1	ZINC001130593342	939900313	/nfs/dbraw/zinc/90/03/13/939900313.db2.gz	XDXPBEFRSYHQLU-XEYPJELSSA-N	1	0	372.513	1.779	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)CCC3)C[C@H]1c1cn(C)cn1	ZINC001130593170	939900352	/nfs/dbraw/zinc/90/03/52/939900352.db2.gz	STHGGYVSWMLHTQ-DOTOQJQBSA-N	1	0	368.485	1.727	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOC)C1	ZINC001130599584	939905045	/nfs/dbraw/zinc/90/50/45/939905045.db2.gz	VVFNIGNEUWDQOD-DZGCQCFKSA-N	1	0	354.882	1.729	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1c1cn(C)cn1	ZINC001130612103	939910153	/nfs/dbraw/zinc/91/01/53/939910153.db2.gz	QJKKJXSPJPLRLP-GOEBONIOSA-N	1	0	356.430	1.080	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnn(C)c2)C1	ZINC001130602443	939913728	/nfs/dbraw/zinc/91/37/28/939913728.db2.gz	AXXDKOXEXFYVKC-FUHWJXTLSA-N	1	0	356.474	1.594	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1	ZINC001130602547	939914177	/nfs/dbraw/zinc/91/41/77/939914177.db2.gz	HYCCBALKOPRBGF-HLLBOEOZSA-N	1	0	361.490	1.137	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)CCCC3)C[C@H]1c1cn(C)cn1	ZINC001130603063	939914891	/nfs/dbraw/zinc/91/48/91/939914891.db2.gz	WWOWHNICWSSVAL-DOTOQJQBSA-N	1	0	366.469	1.174	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCC3)C[C@H]1c1cn(C)cn1	ZINC001130604676	939916110	/nfs/dbraw/zinc/91/61/10/939916110.db2.gz	IRSJZNVKNWUQEX-MAUKXSAKSA-N	1	0	354.458	1.337	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3ccccc3O2)C[C@H]1c1cn(C)cn1	ZINC001130624421	939922156	/nfs/dbraw/zinc/92/21/56/939922156.db2.gz	WDHFMYWJHYMPEI-ILZDJORESA-N	1	0	366.465	1.884	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cn2nc(C)cc2C)C[C@H]1c1cn(C)cn1	ZINC001130624580	939922612	/nfs/dbraw/zinc/92/26/12/939922612.db2.gz	ZYWATCLKHQRUQO-PKOBYXMFSA-N	1	0	370.501	1.784	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3nccn3C2)C[C@H]1c1cn(C)cn1	ZINC001130619285	939930049	/nfs/dbraw/zinc/93/00/49/939930049.db2.gz	KBISUINHBRDZBB-XYJFISCASA-N	1	0	368.485	1.339	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2nccc3occc32)C[C@H]1c1cn(C)cn1	ZINC001130630842	939934996	/nfs/dbraw/zinc/93/49/96/939934996.db2.gz	XZPNYVIXVYZCKW-DOTOQJQBSA-N	1	0	363.421	1.782	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2csnn2)C[C@H]1c1cn(C)cn1	ZINC001130635301	939937809	/nfs/dbraw/zinc/93/78/09/939937809.db2.gz	SRJRHNDXNUQFTQ-KCQAQPDRSA-N	1	0	360.487	1.824	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(OC)cs2)C[C@H]1c1cn(C)cn1	ZINC001130637676	939939438	/nfs/dbraw/zinc/93/94/38/939939438.db2.gz	GBRTUCXNCZBOLZ-GOEBONIOSA-N	1	0	358.467	1.711	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1c1cn(C)cn1	ZINC001130649920	939944937	/nfs/dbraw/zinc/94/49/37/939944937.db2.gz	ZLOLWEZYEMLNKD-DGUWLTKGSA-N	1	0	358.486	1.551	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@H]1c1cn(C)cn1	ZINC001130652412	939946733	/nfs/dbraw/zinc/94/67/33/939946733.db2.gz	SZTUQNARAKATFY-YXJHDRRASA-N	1	0	350.438	1.399	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2ccc(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130642276	939949796	/nfs/dbraw/zinc/94/97/96/939949796.db2.gz	JCDWSGFKUREUER-JENIJYKNSA-N	1	0	368.485	1.484	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1	ZINC001130664070	939957102	/nfs/dbraw/zinc/95/71/02/939957102.db2.gz	FOHQQRZSVPQOFQ-YQQAZPJKSA-N	1	0	361.490	1.137	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CC(F)(F)C(F)F)C[C@H]1c1cn(C)cn1	ZINC001130678146	939967891	/nfs/dbraw/zinc/96/78/91/939967891.db2.gz	OSFKDZVUOZIEMU-WCQYABFASA-N	1	0	360.355	1.618	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3ccncc3C2)C[C@H]1c1cn(C)cn1	ZINC001130678367	939968021	/nfs/dbraw/zinc/96/80/21/939968021.db2.gz	XGOPUQKZOHFVRO-XKGZKEIXSA-N	1	0	363.465	1.137	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCCOC)C2)c1	ZINC001130669923	939970404	/nfs/dbraw/zinc/97/04/04/939970404.db2.gz	NHRHRXKLJZSHQY-PKOBYXMFSA-N	1	0	367.453	1.031	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2cccnc2)C[C@H]1c1cn(C)cn1	ZINC001130672105	939971063	/nfs/dbraw/zinc/97/10/63/939971063.db2.gz	GYPGFPRDCKJJST-VDZJLULYSA-N	1	0	367.453	1.190	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2csc(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130687731	939977435	/nfs/dbraw/zinc/97/74/35/939977435.db2.gz	OHRSELYRHJURKS-FUHWJXTLSA-N	1	0	371.510	1.725	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnc(C3CC3)nc2)C[C@H]1c1cn(C)cn1	ZINC001130687923	939978179	/nfs/dbraw/zinc/97/81/79/939978179.db2.gz	XDVQCPGYHYZWOP-FUHWJXTLSA-N	1	0	364.453	1.309	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2(CC)CCOCC2)C[C@H]1c1cn(C)cn1	ZINC001130706864	939988644	/nfs/dbraw/zinc/98/86/44/939988644.db2.gz	XOAGCHFRBLDGAX-FUHWJXTLSA-N	1	0	358.486	1.534	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]C[C@@H](F)CC)C2)nc1	ZINC001130714839	940006871	/nfs/dbraw/zinc/00/68/71/940006871.db2.gz	LMHNUWJUPXJBHP-TXPKVOOTSA-N	1	0	369.444	1.742	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCCn2cccn2)C[C@H]1c1cn(C)cn1	ZINC001130728352	940016414	/nfs/dbraw/zinc/01/64/14/940016414.db2.gz	AIYBAKDHFVRVPA-PKOBYXMFSA-N	1	0	370.501	1.947	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(Cl)cn2)C[C@H]1c1cn(C)cn1	ZINC001130717839	940018662	/nfs/dbraw/zinc/01/86/62/940018662.db2.gz	UUPINMJCYSIMGU-WMLDXEAASA-N	1	0	357.845	1.690	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ncccc2Cl)C[C@H]1c1cn(C)cn1	ZINC001130717869	940018806	/nfs/dbraw/zinc/01/88/06/940018806.db2.gz	WWAXQKQARCEPHW-XJKSGUPXSA-N	1	0	357.845	1.690	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccccc2OC)C[C@H]1c1cn(C)cn1	ZINC001130723085	940027685	/nfs/dbraw/zinc/02/76/85/940027685.db2.gz	AXLQQLZGQKWWQG-PKOBYXMFSA-N	1	0	366.465	1.579	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2c(C)n[nH]c2C)C[C@H]1c1cn(C)cn1	ZINC001130725945	940030380	/nfs/dbraw/zinc/03/03/80/940030380.db2.gz	HZOFHZPHIXHBCH-PKOBYXMFSA-N	1	0	370.501	1.853	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C[C@H]1c1cn(C)cn1	ZINC001130731879	940045685	/nfs/dbraw/zinc/04/56/85/940045685.db2.gz	SEKYEQFGIQPAQN-PLYYQAHHSA-N	1	0	361.490	1.041	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C/C=C/Cl)C1	ZINC001130741904	940046728	/nfs/dbraw/zinc/04/67/28/940046728.db2.gz	VWSJAXJIPASOJN-JTTAOPSZSA-N	1	0	352.866	1.648	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccccn3)n2)O1	ZINC001130749986	940057478	/nfs/dbraw/zinc/05/74/78/940057478.db2.gz	XPMQBERWSQBEBF-DZGCQCFKSA-N	1	0	356.430	1.516	20	30		FDEDRO
C#CCN(Cc1ccccc1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000806832782	940085039	/nfs/dbraw/zinc/08/50/39/940085039.db2.gz	RXRMPESCTRQBEX-GOSISDBHSA-N	1	0	356.470	1.419	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)OC)n2)O1	ZINC001130765215	940094865	/nfs/dbraw/zinc/09/48/65/940094865.db2.gz	HPJXPMJTGLDEEU-MELADBBJSA-N	1	0	351.451	1.232	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)SC)n2)O1	ZINC001130767608	940102373	/nfs/dbraw/zinc/10/23/73/940102373.db2.gz	ONIKHICJMJBDRS-HZSPNIEDSA-N	1	0	367.519	1.948	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)OCC)n2)O1	ZINC001130767992	940102985	/nfs/dbraw/zinc/10/29/85/940102985.db2.gz	XOTWJWJGNXDSQO-FRRDWIJNSA-N	1	0	371.869	1.408	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)CSC)n2)O1	ZINC001130772424	940112328	/nfs/dbraw/zinc/11/23/28/940112328.db2.gz	MHLLJXNUXIIZGF-MELADBBJSA-N	1	0	365.503	1.253	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COCCCC)n2)O1	ZINC001130776802	940127299	/nfs/dbraw/zinc/12/72/99/940127299.db2.gz	LXLGNHBJWHDYKT-LSDHHAIUSA-N	1	0	365.478	1.623	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COC(C)(C)C)n2)O1	ZINC001130776996	940127715	/nfs/dbraw/zinc/12/77/15/940127715.db2.gz	QELYEFLCGKKQAO-UONOGXRCSA-N	1	0	363.462	1.069	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](O)C(C)C)n2)O1	ZINC001130778455	940132235	/nfs/dbraw/zinc/13/22/35/940132235.db2.gz	YSMNNCWBHHLZGH-SQWLQELKSA-N	1	0	365.478	1.214	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccncc3C)n2)O1	ZINC001130781026	940135550	/nfs/dbraw/zinc/13/55/50/940135550.db2.gz	LOHSSVKUEJLVTE-DZGCQCFKSA-N	1	0	356.430	1.434	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3C[C@@H]3C(F)F)n2)O1	ZINC001130781029	940135850	/nfs/dbraw/zinc/13/58/50/940135850.db2.gz	LWSAWTJGMQZEMD-ZDEQEGDKSA-N	1	0	369.416	1.708	20	30		FDEDRO
C#CCCCNC(=O)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C	ZINC000806911501	940138815	/nfs/dbraw/zinc/13/88/15/940138815.db2.gz	LQULCGQWJKGSKW-OAHLLOKOSA-N	1	0	369.387	1.954	20	30		FDEDRO
C#CCCCNC(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21	ZINC000806911434	940138819	/nfs/dbraw/zinc/13/88/19/940138819.db2.gz	BZZHTJJSDMOOGI-HSALFYBXSA-N	1	0	367.493	1.933	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCO)O2)n[nH]1	ZINC001130796067	940148893	/nfs/dbraw/zinc/14/88/93/940148893.db2.gz	GWBODRNCEUTRSX-QLFBSQMISA-N	1	0	365.478	1.215	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCO)O2)n[nH]1	ZINC001130796424	940152017	/nfs/dbraw/zinc/15/20/17/940152017.db2.gz	QSUWYUSCNCOOGA-SOUVJXGZSA-N	1	0	365.478	1.215	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cccc(F)c3C)n2)O1	ZINC001130787297	940155811	/nfs/dbraw/zinc/15/58/11/940155811.db2.gz	JVDAGXYAZSWFMO-XJKSGUPXSA-N	1	0	371.416	1.625	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)C(C)(C)C)n2)O1	ZINC001130790004	940161840	/nfs/dbraw/zinc/16/18/40/940161840.db2.gz	CJVXZLMLKRECQF-QLFBSQMISA-N	1	0	361.490	1.936	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)C3CCC3)n2)O1	ZINC001130792809	940172674	/nfs/dbraw/zinc/17/26/74/940172674.db2.gz	ZKNZAORQTDXUHQ-CWRNSKLLSA-N	1	0	359.474	1.690	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCC(C)(C)C3)n2)O1	ZINC001130807269	940182950	/nfs/dbraw/zinc/18/29/50/940182950.db2.gz	VRXWOQGBDCQPTL-SOUVJXGZSA-N	1	0	359.474	1.690	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3occc3Cl)n2)O1	ZINC001130809114	940185762	/nfs/dbraw/zinc/18/57/62/940185762.db2.gz	HUGQTIXJOFMOOW-CMPLNLGQSA-N	1	0	365.821	1.977	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cccnc3C)n2)O1	ZINC001130799793	940194264	/nfs/dbraw/zinc/19/42/64/940194264.db2.gz	XZNUWRYVEHNUJH-GOEBONIOSA-N	1	0	368.441	1.271	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3C[C@H]3C3CCC3)n2)O1	ZINC001130811724	940204700	/nfs/dbraw/zinc/20/47/00/940204700.db2.gz	GMMBRJMNPREPAL-CAOSSQGBSA-N	1	0	359.474	1.853	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3c(C)n[nH]c3C)n2)O1	ZINC001130811990	940206280	/nfs/dbraw/zinc/20/62/80/940206280.db2.gz	VLRBMOWWOSEPLF-QWHCGFSZSA-N	1	0	359.434	1.070	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3c[nH]cc3C)n2)O1	ZINC001130817171	940220786	/nfs/dbraw/zinc/22/07/86/940220786.db2.gz	DCIAHNAQZISPQG-DZGCQCFKSA-N	1	0	358.446	1.757	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(CC)on3)n2)O1	ZINC001130817199	940221029	/nfs/dbraw/zinc/22/10/29/940221029.db2.gz	FJZRXOIXXHLSSV-GXTWGEPZSA-N	1	0	360.418	1.281	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3ccccc3C)n2)O1	ZINC001130817247	940222022	/nfs/dbraw/zinc/22/20/22/940222022.db2.gz	IFIBJRNNTBIGFD-DLBZAZTESA-N	1	0	369.469	1.968	20	30		FDEDRO
CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#Cc2ccc(F)cc2)C1	ZINC001130883157	940279670	/nfs/dbraw/zinc/27/96/70/940279670.db2.gz	YRNCUHUJURFTBJ-QZTJIDSGSA-N	1	0	354.429	1.905	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCC(C)C)C[C@H]1c1cncn1C	ZINC001130912823	940322194	/nfs/dbraw/zinc/32/21/94/940322194.db2.gz	GEWVFQXEYLVMGM-HZPDHXFCSA-N	1	0	361.490	1.043	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N(CCC)CC[NH+]2CCCC2)c1	ZINC000807334674	940324217	/nfs/dbraw/zinc/32/42/17/940324217.db2.gz	RZIVMADGPCTBPY-UHFFFAOYSA-N	1	0	357.454	1.972	20	30		FDEDRO
Cn1cncc1[C@@H]1CN(C(=O)CSCC#N)C[C@H]1[NH2+]CC1CCCC1	ZINC001130915298	940324520	/nfs/dbraw/zinc/32/45/20/940324520.db2.gz	HZFVYMHYCSYJDC-HZPDHXFCSA-N	1	0	361.515	1.751	20	30		FDEDRO
CCC(CC)C[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@H]1c1cncn1C	ZINC001130920861	940330969	/nfs/dbraw/zinc/33/09/69/940330969.db2.gz	KLOVGTHJDCSVGN-HZPDHXFCSA-N	1	0	363.531	1.997	20	30		FDEDRO
CC(C)CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1c1cncn1C	ZINC001130941351	940352142	/nfs/dbraw/zinc/35/21/42/940352142.db2.gz	XZLXTLJUSIMQPI-GVDBMIGSSA-N	1	0	361.490	1.526	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C2=CCCC2)C[C@H]1c1cncn1C	ZINC001130961288	940367014	/nfs/dbraw/zinc/36/70/14/940367014.db2.gz	BBXCBNOGHZUKBE-USXIJHARSA-N	1	0	371.485	1.105	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@H]1c1cncn1C	ZINC001130951408	940370732	/nfs/dbraw/zinc/37/07/32/940370732.db2.gz	INMFWOUIWYEKKB-GDBMZVCRSA-N	1	0	355.442	1.685	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1c1cncn1C	ZINC001130951559	940371057	/nfs/dbraw/zinc/37/10/57/940371057.db2.gz	MEDAAXYFLCPRPI-DJIMGWMZSA-N	1	0	356.474	1.625	20	30		FDEDRO
Cn1cncc1[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1[NH2+]C/C=C/Cl	ZINC001130952018	940371860	/nfs/dbraw/zinc/37/18/60/940371860.db2.gz	ZXOOQDRCAIMVHT-MZSZDEQASA-N	1	0	358.833	1.570	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2c(C)ccn2C)C[C@H]1c1cncn1C	ZINC001130968884	940376605	/nfs/dbraw/zinc/37/66/05/940376605.db2.gz	JOFYDYSHJWTBDD-IAGOWNOFSA-N	1	0	371.485	1.467	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H](C)CC)C[C@H]1c1cncn1C	ZINC001130971230	940379706	/nfs/dbraw/zinc/37/97/06/940379706.db2.gz	FQLXISUPKIMACO-BZUAXINKSA-N	1	0	361.490	1.043	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)CC1	ZINC000747404023	940402573	/nfs/dbraw/zinc/40/25/73/940402573.db2.gz	FOGLTMLNVDBRLM-UHFFFAOYSA-N	1	0	354.458	1.645	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CO[C@@H]2CCOC2)C[C@H]1c1cncn1C	ZINC001130988707	940410707	/nfs/dbraw/zinc/41/07/07/940410707.db2.gz	KHIPNTGZPFRKFK-BRWVUGGUSA-N	1	0	362.474	1.076	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C/C=C\Cl)C1	ZINC001130988948	940411221	/nfs/dbraw/zinc/41/12/21/940411221.db2.gz	QTHSUYVDHHGGMF-CWCORTEISA-N	1	0	350.850	1.095	20	30		FDEDRO
Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2c2cncn2C)cn1	ZINC001130991256	940413423	/nfs/dbraw/zinc/41/34/23/940413423.db2.gz	ATUQWOQTYQPMNA-QZTJIDSGSA-N	1	0	366.469	1.262	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1c1cncn1C	ZINC001130991384	940413998	/nfs/dbraw/zinc/41/39/98/940413998.db2.gz	GUPHKDXJKOEXRU-IAGOWNOFSA-N	1	0	356.474	1.247	20	30		FDEDRO
Cc1cncc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2c2cncn2C)c1	ZINC001130991365	940414188	/nfs/dbraw/zinc/41/41/88/940414188.db2.gz	GCCCHOBBAIMADL-RTBURBONSA-N	1	0	365.481	1.867	20	30		FDEDRO
Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2c2cncn2C)o1	ZINC001130985700	940422941	/nfs/dbraw/zinc/42/29/41/940422941.db2.gz	LSLRHQHPKFDQQN-IAGOWNOFSA-N	1	0	369.469	1.850	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CC)C1)OCC	ZINC001131003529	940429704	/nfs/dbraw/zinc/42/97/04/940429704.db2.gz	IOAKQDVXRFCYHX-ZHALLVOQSA-N	1	0	358.486	1.699	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCC3)C[C@H]1c1cncn1C	ZINC001131007814	940434178	/nfs/dbraw/zinc/43/41/78/940434178.db2.gz	MMPUVGUMZPIBTM-NVXWUHKLSA-N	1	0	354.458	1.337	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCC3)C[C@H]1c1cncn1C	ZINC001131008259	940434704	/nfs/dbraw/zinc/43/47/04/940434704.db2.gz	ZAUATIWFYNALJY-SJLPKXTDSA-N	1	0	368.485	1.727	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1c1cncn1C	ZINC001130999567	940436058	/nfs/dbraw/zinc/43/60/58/940436058.db2.gz	UKONKMGZRWBKCX-IAGOWNOFSA-N	1	0	371.489	1.342	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2nc(CC)c[nH]2)C[C@H]1c1cncn1C	ZINC001131010622	940441798	/nfs/dbraw/zinc/44/17/98/940441798.db2.gz	VMRBPXBUACANLR-IAGOWNOFSA-N	1	0	370.501	1.799	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2ccncc2)C[C@H]1c1cncn1C	ZINC001131014585	940447784	/nfs/dbraw/zinc/44/77/84/940447784.db2.gz	BGFVJHJJPFRUDP-QXAKKESOSA-N	1	0	365.481	1.916	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cncc3C2)C[C@H]1c1cncn1C	ZINC001131020130	940452610	/nfs/dbraw/zinc/45/26/10/940452610.db2.gz	LOVUMWHKUPUXKS-KBAYOESNSA-N	1	0	368.485	1.339	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccn3ccnc3c2)C[C@H]1c1cncn1C	ZINC001131028932	940463717	/nfs/dbraw/zinc/46/37/17/940463717.db2.gz	QWLSMKHIVGSHMA-IAGOWNOFSA-N	1	0	364.453	1.842	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2C[C@H]2C2CC2)C[C@H]1c1cncn1C	ZINC001131035966	940465187	/nfs/dbraw/zinc/46/51/87/940465187.db2.gz	WRDSOTNLTYVDIV-INDMIFKZSA-N	1	0	370.497	1.390	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(OCC)no2)C[C@H]1c1cncn1C	ZINC001131033775	940470267	/nfs/dbraw/zinc/47/02/67/940470267.db2.gz	WPJNDWZIZNIVOO-ZIAGYGMSSA-N	1	0	357.414	1.028	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cocc2C)C[C@H]1c1cncn1C	ZINC001131043710	940472902	/nfs/dbraw/zinc/47/29/02/940472902.db2.gz	FZKMMOCXMFUKAV-NVXWUHKLSA-N	1	0	358.442	1.722	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3ccc(F)cc32)C[C@H]1c1cncn1C	ZINC001131055712	940481669	/nfs/dbraw/zinc/48/16/69/940481669.db2.gz	JBPVWRMEOHTVOD-GUDVDZBRSA-N	1	0	366.440	1.806	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1c1cncn1C	ZINC001131067947	940483270	/nfs/dbraw/zinc/48/32/70/940483270.db2.gz	CQWRXKBBNHSYJJ-GZBFAFLISA-N	1	0	360.437	1.835	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2cccnc2C)C[C@H]1c1cncn1C	ZINC001131070386	940484406	/nfs/dbraw/zinc/48/44/06/940484406.db2.gz	SIUHREBSTFAZNP-QZTJIDSGSA-N	1	0	351.454	1.274	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3nc[nH]c32)C[C@H]1c1cncn1C	ZINC001131070442	940484581	/nfs/dbraw/zinc/48/45/81/940484581.db2.gz	VPUXOADCJRKJDC-ZMSDIMECSA-N	1	0	366.469	1.171	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CC(F)(F)C(F)F)C[C@H]1c1cncn1C	ZINC001131072374	940485304	/nfs/dbraw/zinc/48/53/04/940485304.db2.gz	VYJVQQMANVYZET-VXGBXAGGSA-N	1	0	360.355	1.618	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cn2ccnc2C(C)C)C[C@H]1c1cncn1C	ZINC001131082594	940488054	/nfs/dbraw/zinc/48/80/54/940488054.db2.gz	SPLDPTSKWPAVFZ-IAGOWNOFSA-N	1	0	368.485	1.348	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc3c2OCC3)C[C@H]1c1cncn1C	ZINC001131082676	940488212	/nfs/dbraw/zinc/48/82/12/940488212.db2.gz	WNLWRAVNHDKFKQ-QZTJIDSGSA-N	1	0	364.449	1.576	20	30		FDEDRO
COc1ccc(CNC(=O)NCC2(O)CC[NH+](C(C)C)CC2)cc1C#N	ZINC000747432147	940490629	/nfs/dbraw/zinc/49/06/29/940490629.db2.gz	VIRKBSCVGMYXBP-UHFFFAOYSA-N	1	0	360.458	1.601	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)nn2CC)C[C@H]1c1cncn1C	ZINC001131076157	940491188	/nfs/dbraw/zinc/49/11/88/940491188.db2.gz	GYFHIKBMMDBPEC-HZPDHXFCSA-N	1	0	354.458	1.166	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2nnn(C(C)C)c2C)C[C@H]1c1cncn1C	ZINC001131099092	940492928	/nfs/dbraw/zinc/49/29/28/940492928.db2.gz	NEVCCXOIMOHKBE-HZPDHXFCSA-N	1	0	369.473	1.122	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnoc2C2CC2)C[C@H]1c1cncn1C	ZINC001131099184	940493106	/nfs/dbraw/zinc/49/31/06/940493106.db2.gz	PIYAAKNFKFESFX-HZPDHXFCSA-N	1	0	353.426	1.507	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCO[C@H]2C(=C)C)C[C@H]1c1cncn1C	ZINC001131086604	940493729	/nfs/dbraw/zinc/49/37/29/940493729.db2.gz	WABQJUZZEJGXID-XFKSJGNHSA-N	1	0	370.497	1.699	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)nn(CC)c2C)C[C@H]1c1cncn1C	ZINC001131089622	940494918	/nfs/dbraw/zinc/49/49/18/940494918.db2.gz	QNMZYPQQCMQVJD-IAGOWNOFSA-N	1	0	368.485	1.474	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn3ccccc23)C[C@H]1c1cncn1C	ZINC001131089546	940494946	/nfs/dbraw/zinc/49/49/46/940494946.db2.gz	MTWPJVDGIMUQBF-IAGOWNOFSA-N	1	0	362.437	1.289	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1c1cncn1C	ZINC001131091681	940495770	/nfs/dbraw/zinc/49/57/70/940495770.db2.gz	PCBHBLJGFQKUMH-NVXWUHKLSA-N	1	0	371.489	1.493	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]C[C@H](F)CC)C2)cn1	ZINC001131112842	940499218	/nfs/dbraw/zinc/49/92/18/940499218.db2.gz	QAYSALKDJJMBLJ-KBAYOESNSA-N	1	0	369.444	1.742	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn(CCC)c2C)C[C@H]1c1cncn1C	ZINC001131099866	940499591	/nfs/dbraw/zinc/49/95/91/940499591.db2.gz	YEEDYZDXGWXQEQ-QZTJIDSGSA-N	1	0	368.485	1.556	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2scnc2C)C[C@H]1c1cncn1C	ZINC001131101034	940500381	/nfs/dbraw/zinc/50/03/81/940500381.db2.gz	JEIHQLZLTCCRQX-HZPDHXFCSA-N	1	0	371.510	1.725	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@H]1c1cncn1C	ZINC001131105572	940501557	/nfs/dbraw/zinc/50/15/57/940501557.db2.gz	AVLOHCVTWQHXNI-HUUCEWRRSA-N	1	0	356.474	1.581	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ncoc2C(C)C)C[C@H]1c1cncn1C	ZINC001131106294	940501928	/nfs/dbraw/zinc/50/19/28/940501928.db2.gz	TUBBMCIJRBRWIT-HUUCEWRRSA-N	1	0	355.442	1.753	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cnn(C)c2)C[C@H]1c1cncn1C	ZINC001131138407	940509360	/nfs/dbraw/zinc/50/93/60/940509360.db2.gz	AKKDUBWAVXOTJM-USXIJHARSA-N	1	0	356.474	1.417	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(CC)n(C)n2)C[C@H]1c1cncn1C	ZINC001131136266	940513331	/nfs/dbraw/zinc/51/33/31/940513331.db2.gz	DYWRLSXNKZPLCR-SJLPKXTDSA-N	1	0	370.501	1.880	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC23CCOCC3)C[C@H]1c1cncn1C	ZINC001131136483	940513498	/nfs/dbraw/zinc/51/34/98/940513498.db2.gz	PBTLTNKPMBVHFH-IXDOHACOSA-N	1	0	356.470	1.144	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)C2CCOCC2)C[C@H]1c1cncn1C	ZINC001131136674	940513701	/nfs/dbraw/zinc/51/37/01/940513701.db2.gz	YILRGJATRBBSBY-KBAYOESNSA-N	1	0	358.486	1.390	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]CCNC(=O)[C@]23CCC[C@H]2OCC3)c1	ZINC001131235047	940539051	/nfs/dbraw/zinc/53/90/51/940539051.db2.gz	XANOYFHTDYYIBU-XLIONFOSSA-N	1	0	355.438	1.271	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)COCCC)C1	ZINC001131307035	940548942	/nfs/dbraw/zinc/54/89/42/940548942.db2.gz	GZQVIYPZDKQKFO-OAGGEKHMSA-N	1	0	351.447	1.095	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ccnnc2)C1	ZINC001131313436	940553220	/nfs/dbraw/zinc/55/32/20/940553220.db2.gz	RIHKLHKJPWCVBF-BBWFWOEESA-N	1	0	371.441	1.162	20	30		FDEDRO
CCCCCCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@]23C[C@H]2COC3)CC1	ZINC001131360116	940555566	/nfs/dbraw/zinc/55/55/66/940555566.db2.gz	IUCFOBRXLGJUFR-PXNSSMCTSA-N	1	0	365.518	1.644	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(=O)NCC[N@@H+](CCCCC)CC1	ZINC001131383298	940559328	/nfs/dbraw/zinc/55/93/28/940559328.db2.gz	AWZHXBBKTBMERF-SJORKVTESA-N	1	0	351.491	1.418	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1)C(=O)N1CCCCC1	ZINC001086667548	940559711	/nfs/dbraw/zinc/55/97/11/940559711.db2.gz	MPNZQEQDMAAYDF-HLLBOEOZSA-N	1	0	371.485	1.775	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2CCC2)CC1	ZINC001131401458	940561435	/nfs/dbraw/zinc/56/14/35/940561435.db2.gz	AAICGVNKJCRLNG-OLMNPRSZSA-N	1	0	363.502	1.463	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cn(CC4CC4)nn3)C2)c1	ZINC001086668619	940563684	/nfs/dbraw/zinc/56/36/84/940563684.db2.gz	UYEOLBKILNZZLY-GOEBONIOSA-N	1	0	367.457	1.576	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H]3CCN(C4CCC4)C3=O)C2)c1	ZINC001086669017	940596347	/nfs/dbraw/zinc/59/63/47/940596347.db2.gz	KFPQYBPSHPADQQ-YSVLISHTSA-N	1	0	369.469	1.528	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](CC)OC)CC1	ZINC001131448763	940602712	/nfs/dbraw/zinc/60/27/12/940602712.db2.gz	PYCIQOPUJCGBEE-SQNIBIBYSA-N	1	0	354.491	1.600	20	30		FDEDRO
C=CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H]2CCN(CC)C2=O)CC1	ZINC001131448832	940602944	/nfs/dbraw/zinc/60/29/44/940602944.db2.gz	SVQVRBLNQIABKZ-LMMKCTJWSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cnoc2C)CC1	ZINC001131461336	940604185	/nfs/dbraw/zinc/60/41/85/940604185.db2.gz	LEBIOXHGTOWZMZ-MJGOQNOKSA-N	1	0	363.458	1.671	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCCOC)CC1	ZINC001131451484	940605208	/nfs/dbraw/zinc/60/52/08/940605208.db2.gz	MQLXPGWDAQJKSY-POAQFYNOSA-N	1	0	368.518	1.990	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC001131464219	940621732	/nfs/dbraw/zinc/62/17/32/940621732.db2.gz	IICFXHHNNZSELM-QRVBRYPASA-N	1	0	365.518	1.269	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[C@H](C)OC)CC1	ZINC001131478797	940634962	/nfs/dbraw/zinc/63/49/62/940634962.db2.gz	LAOMUAPLJOWZBC-HQRMLTQVSA-N	1	0	366.502	1.437	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC(=O)NC)CC1	ZINC001131480646	940636833	/nfs/dbraw/zinc/63/68/33/940636833.db2.gz	PYVXBBQJYAUUDK-GMBSWORKSA-N	1	0	351.491	1.463	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N1CCC([C@@H]2OCC[C@H]2NCC#N)CC1	ZINC001131510396	940659004	/nfs/dbraw/zinc/65/90/04/940659004.db2.gz	GCSJADRKROEGLY-BBWFWOEESA-N	1	0	354.470	1.176	20	30		FDEDRO
C=C(C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N2CCC2)CC1	ZINC001131510721	940660551	/nfs/dbraw/zinc/66/05/51/940660551.db2.gz	ZGYHAACLQHIWPD-XLIONFOSSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H]2CCNC2=O)CC1	ZINC001131506931	940669482	/nfs/dbraw/zinc/66/94/82/940669482.db2.gz	WUSKPMDCVUXHDF-RYRKJORJSA-N	1	0	363.502	1.463	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn(C)ccc2=O)CC1	ZINC001131528066	940697532	/nfs/dbraw/zinc/69/75/32/940697532.db2.gz	JERBSSMRGAOOMU-MJGOQNOKSA-N	1	0	357.454	1.008	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCOC[C@H]2CCCO2)CC1	ZINC001131522748	940706497	/nfs/dbraw/zinc/70/64/97/940706497.db2.gz	XBVMYHHAVXUJKE-GGPKGHCWSA-N	1	0	364.486	1.191	20	30		FDEDRO
C#CCCCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(N)=O)CC1	ZINC001131543668	940719571	/nfs/dbraw/zinc/71/95/71/940719571.db2.gz	NUUOHWNNUJYNKX-WDYCEAGBSA-N	1	0	363.502	1.430	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCNC(=O)C2)C1	ZINC001086671010	940733402	/nfs/dbraw/zinc/73/34/02/940733402.db2.gz	HQLMQVWEPPAADR-RLFYNMQTSA-N	1	0	354.454	1.459	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccc(=O)n2C)CC1	ZINC001131559619	940733913	/nfs/dbraw/zinc/73/39/13/940733913.db2.gz	AIOVEMZDGOBBCV-APWZRJJASA-N	1	0	357.454	1.008	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCNC(=O)C3)C2)cc1	ZINC001086671174	940734714	/nfs/dbraw/zinc/73/47/14/940734714.db2.gz	NRZIDUCDEZPJNZ-OKZBNKHCSA-N	1	0	354.454	1.459	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2cn[nH]n2)CC1	ZINC001131567690	940743245	/nfs/dbraw/zinc/74/32/45/940743245.db2.gz	OOIWFDPEKQJYBI-MJGOQNOKSA-N	1	0	361.490	1.689	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](CC(=C)C)NC(C)=O)CC1	ZINC001131575394	940752449	/nfs/dbraw/zinc/75/24/49/940752449.db2.gz	VXPMKVRSVMTFDD-QRVBRYPASA-N	1	0	363.502	1.629	20	30		FDEDRO
C[NH+](C)CCCOc1cnccc1CNC(=O)COc1cccc(C#N)c1	ZINC000809188999	940776938	/nfs/dbraw/zinc/77/69/38/940776938.db2.gz	TZCQUMHCEMQWNA-UHFFFAOYSA-N	1	0	368.437	1.979	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](CC(C)C)NC(C)=O)CC1	ZINC001131594718	940777002	/nfs/dbraw/zinc/77/70/02/940777002.db2.gz	ANVAVANAULSZHT-QRVBRYPASA-N	1	0	363.502	1.156	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCC(=O)N(C)C)CC1	ZINC001131600018	940783479	/nfs/dbraw/zinc/78/34/79/940783479.db2.gz	SSOLDOOFQIQSDO-XLIONFOSSA-N	1	0	363.502	1.254	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2ccc[nH]2)CC1	ZINC001131606992	940786620	/nfs/dbraw/zinc/78/66/20/940786620.db2.gz	QYPWRLJJXSLNCT-QUCCMNQESA-N	1	0	361.486	1.746	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCCC(=O)NC)CC1	ZINC001131608551	940787947	/nfs/dbraw/zinc/78/79/47/940787947.db2.gz	FOTRYUIDOITBCZ-XLIONFOSSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCCOC)CC1	ZINC001131610279	940789886	/nfs/dbraw/zinc/78/98/86/940789886.db2.gz	JMPPLOPLDLBROA-UHOSZYNNSA-N	1	0	368.518	1.990	20	30		FDEDRO
Cn1nccc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CC#Cc1cccc(Cl)c1	ZINC001131634691	940804474	/nfs/dbraw/zinc/80/44/74/940804474.db2.gz	VEJJJDQIZQSYTR-IAGOWNOFSA-N	1	0	356.857	1.935	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCO1	ZINC000809310454	940814967	/nfs/dbraw/zinc/81/49/67/940814967.db2.gz	JLYYKOPKKAPPOH-GBESFXJTSA-N	1	0	369.465	1.016	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1C#N	ZINC000809503792	940846089	/nfs/dbraw/zinc/84/60/89/940846089.db2.gz	JRHLTSCBUANCNL-KRWDZBQOSA-N	1	0	370.453	1.270	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1C#N	ZINC000809503966	940846236	/nfs/dbraw/zinc/84/62/36/940846236.db2.gz	CCOUGNBWCFODSK-KRWDZBQOSA-N	1	0	372.469	1.516	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@@H](c3ccccc3)OC2=O)c1C#N	ZINC000809579367	940859323	/nfs/dbraw/zinc/85/93/23/940859323.db2.gz	BOXXWCZRBMVKOH-BBRMVZONSA-N	1	0	367.409	1.676	20	30		FDEDRO
N#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H]3CCN(C4CCC4)C3=O)C2)[nH]1	ZINC001086676251	940932923	/nfs/dbraw/zinc/93/29/23/940932923.db2.gz	KJNMXSSWFXVODH-PMUMKWKESA-N	1	0	369.469	1.528	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@@H]2c3ccccc3CC23CCOCC3)CC1	ZINC000810079825	940947563	/nfs/dbraw/zinc/94/75/63/940947563.db2.gz	QWGJYUHPKFSKHF-OAQYLSRUSA-N	1	0	367.493	1.448	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1	ZINC000822989623	945363745	/nfs/dbraw/zinc/36/37/45/945363745.db2.gz	SLUCANHQSMCUQJ-LJQANCHMSA-N	1	0	369.465	1.643	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccnn3CC)C2)C1=O	ZINC001086681919	941043016	/nfs/dbraw/zinc/04/30/16/941043016.db2.gz	NVXVOXHLUBLRJK-ARFHVFGLSA-N	1	0	359.474	1.178	20	30		FDEDRO
C=CCOc1cccnc1C(=O)O[C@@H]1CCCN(c2cc[nH+]c(N)n2)C1	ZINC000810763936	941053958	/nfs/dbraw/zinc/05/39/58/941053958.db2.gz	FMTBQEAFKCOCRC-CYBMUJFWSA-N	1	0	355.398	1.844	20	30		FDEDRO
N#Cc1ccccc1OCC(=O)O[C@H]1CCCN(c2cc[nH+]c(N)n2)C1	ZINC000810765076	941054218	/nfs/dbraw/zinc/05/42/18/941054218.db2.gz	VWTMXVZRJBFMQJ-AWEZNQCLSA-N	1	0	353.382	1.521	20	30		FDEDRO
Cn1nncc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C1	ZINC001086687029	941075243	/nfs/dbraw/zinc/07/52/43/941075243.db2.gz	VNOOMCBVQQJQTA-JKSUJKDBSA-N	1	0	368.441	1.406	20	30		FDEDRO
CCn1nncc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001086690415	941099591	/nfs/dbraw/zinc/09/95/91/941099591.db2.gz	KIKNRSRFHROANV-DLBZAZTESA-N	1	0	352.442	1.858	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1CNc1cccc(S(N)(=O)=O)c1C#N	ZINC000811781822	941159304	/nfs/dbraw/zinc/15/93/04/941159304.db2.gz	ICSNQBSFBFAECR-UHFFFAOYSA-N	1	0	374.466	1.758	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](CCO)CCC(F)(F)F)CC1	ZINC001098482447	941177820	/nfs/dbraw/zinc/17/78/20/941177820.db2.gz	HJLTUXZQCHCABT-CABCVRRESA-N	1	0	364.408	1.815	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@@H+](CCO)CCCCOC)CC1	ZINC001098482479	941177964	/nfs/dbraw/zinc/17/79/64/941177964.db2.gz	JEODHENSPFOPNT-MSOLQXFVSA-N	1	0	354.491	1.289	20	30		FDEDRO
C#C[C@@H](C)N(C)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000812033759	941179541	/nfs/dbraw/zinc/17/95/41/941179541.db2.gz	DOZQKFCJGWDDNU-CRAIPNDOSA-N	1	0	356.470	1.547	20	30		FDEDRO
CC[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOC)CC1	ZINC000812064456	941180655	/nfs/dbraw/zinc/18/06/55/941180655.db2.gz	BIOAINONHQWCLU-UHFFFAOYSA-N	1	0	370.457	1.517	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)NC(=O)Nc2ccccc2F)CC1	ZINC000747818004	941272864	/nfs/dbraw/zinc/27/28/64/941272864.db2.gz	CUFAZBJUVCDECV-ZDUSSCGKSA-N	1	0	374.416	1.324	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccccc2OC)CC1	ZINC000747818000	941273025	/nfs/dbraw/zinc/27/30/25/941273025.db2.gz	CQPAYRXRIRBMNU-HOTGVXAUSA-N	1	0	371.481	1.722	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@H](CC)C(=O)Nc2ccc(OC)cc2)CC1	ZINC000747820425	941275130	/nfs/dbraw/zinc/27/51/30/941275130.db2.gz	VNYDGRXQBLTOTA-GOSISDBHSA-N	1	0	357.454	1.874	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2)CC1	ZINC000747818563	941276903	/nfs/dbraw/zinc/27/69/03/941276903.db2.gz	VJDZDRMIXWYOPN-MRXNPFEDSA-N	1	0	350.846	1.541	20	30		FDEDRO
C#Cc1cccc(N(CC(=O)NC)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)c1	ZINC000812949471	941303036	/nfs/dbraw/zinc/30/30/36/941303036.db2.gz	AEIAKCJVMZUJRG-HXUWFJFHSA-N	1	0	359.445	1.959	20	30		FDEDRO
C[C@@H](CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)[NH+]1CCCCC1	ZINC000813595390	941412813	/nfs/dbraw/zinc/41/28/13/941412813.db2.gz	WEIJBPYFDBDZBZ-DOTOQJQBSA-N	1	0	357.458	1.990	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)Nc1nc(C)c(C)s1	ZINC001134053485	941529990	/nfs/dbraw/zinc/52/99/90/941529990.db2.gz	WPODSNYUJRISPX-YUTCNCBUSA-N	1	0	366.487	1.384	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N[C@@H](C)CCCC(C)C	ZINC001134054340	941531030	/nfs/dbraw/zinc/53/10/30/941531030.db2.gz	GGLRKPRDLUJTRV-BBWFWOEESA-N	1	0	353.507	1.614	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1c(C)cc(C)cc1C	ZINC001134049343	941537373	/nfs/dbraw/zinc/53/73/73/941537373.db2.gz	CQURUQKVXXWKGC-SJORKVTESA-N	1	0	359.470	1.847	20	30		FDEDRO
N#Cc1ccccc1NC(=S)NCC(=O)NCC[NH+]1CCCCCC1	ZINC000814207480	941588187	/nfs/dbraw/zinc/58/81/87/941588187.db2.gz	ZLVZREOSIXHWEN-UHFFFAOYSA-N	1	0	359.499	1.837	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnccc2C)C1	ZINC001086720558	941624447	/nfs/dbraw/zinc/62/44/47/941624447.db2.gz	CAEXUTFQVWNGOV-SXLOBPIMSA-N	1	0	354.498	1.862	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cn[nH]c(=O)c3)C2)cc1	ZINC001086725017	941728111	/nfs/dbraw/zinc/72/81/11/941728111.db2.gz	FWDZSEYJPXXUIK-DOTOQJQBSA-N	1	0	351.410	1.742	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(C(=O)OCCC)cc1	ZINC000815082582	941777109	/nfs/dbraw/zinc/77/71/09/941777109.db2.gz	ZYGBZXOHEVVRBH-UHFFFAOYSA-N	1	0	352.456	1.487	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1cc(F)ccc1OCCOC	ZINC000815082272	941777730	/nfs/dbraw/zinc/77/77/30/941777730.db2.gz	IJQYBRBOSVFSPO-UHFFFAOYSA-N	1	0	358.435	1.084	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N[C@H](C)c1ccco1	ZINC001135065039	941881628	/nfs/dbraw/zinc/88/16/28/941881628.db2.gz	SGJDTWPQNIFXSD-VKJFTORMSA-N	1	0	363.458	1.534	20	30		FDEDRO
C#CCN(C)CCC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)NC(=O)OC(C)(C)C	ZINC000815652677	941933420	/nfs/dbraw/zinc/93/34/20/941933420.db2.gz	MVFUJEOEXSGVEW-YESZJQIVSA-N	1	0	353.507	1.849	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)c1cc(F)ccc1F	ZINC001135147530	941942892	/nfs/dbraw/zinc/94/28/92/941942892.db2.gz	KWTYEUAYEVBCGK-JQFCIGGWSA-N	1	0	354.397	1.685	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1	ZINC000815746544	941953120	/nfs/dbraw/zinc/95/31/20/941953120.db2.gz	MHFBCVHIZOQKHE-AUUYWEPGSA-N	1	0	356.426	1.470	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1	ZINC000815746545	941953247	/nfs/dbraw/zinc/95/32/47/941953247.db2.gz	MHFBCVHIZOQKHE-IFXJQAMLSA-N	1	0	356.426	1.470	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(-c2nccs2)cc1	ZINC000815860837	941995830	/nfs/dbraw/zinc/99/58/30/941995830.db2.gz	CTJLRTOLJSBREP-UHFFFAOYSA-N	1	0	356.451	1.820	20	30		FDEDRO
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@](O)(C[NH+](C)C)C1	ZINC000816362938	942169455	/nfs/dbraw/zinc/16/94/55/942169455.db2.gz	XVMFRKBDYMBIIE-IBGZPJMESA-N	1	0	356.426	1.779	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC(=O)NC2)C1	ZINC001086740976	942182762	/nfs/dbraw/zinc/18/27/62/942182762.db2.gz	YJNAPDIXCDCNKB-RWMBFGLXSA-N	1	0	358.280	1.296	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC(=O)NC2)C1	ZINC001086741639	942185753	/nfs/dbraw/zinc/18/57/53/942185753.db2.gz	ZWESHZQTEYCLIB-JCGIZDLHSA-N	1	0	354.454	1.459	20	30		FDEDRO
C#C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)C(C)C	ZINC000816607064	942274173	/nfs/dbraw/zinc/27/41/73/942274173.db2.gz	DNGKJQFXPZBBNI-HZPDHXFCSA-N	1	0	351.491	1.997	20	30		FDEDRO
CCCC[C@@H](ON=C(C)C)C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1	ZINC000816609623	942275635	/nfs/dbraw/zinc/27/56/35/942275635.db2.gz	HRDFLRVMIZMKJC-IAGOWNOFSA-N	1	0	366.506	1.769	20	30		FDEDRO
Cn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)ncc1=O	ZINC001086762875	942407271	/nfs/dbraw/zinc/40/72/71/942407271.db2.gz	FOQDGPFZRFTHLX-QWHCGFSZSA-N	1	0	371.466	1.402	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2coc(C(N)=O)c2)C1	ZINC001086766341	942426495	/nfs/dbraw/zinc/42/64/95/942426495.db2.gz	LODRGIPTXKHSTI-CMPLNLGQSA-N	1	0	370.247	1.775	20	30		FDEDRO
Cn1c(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(C#N)ccc3F)C2)c[nH]c1=O	ZINC001086777479	942452506	/nfs/dbraw/zinc/45/25/06/942452506.db2.gz	SIVSEDPNOXJWPU-DZGCQCFKSA-N	1	0	371.416	1.825	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)cc1C#N	ZINC001086779023	942477358	/nfs/dbraw/zinc/47/73/58/942477358.db2.gz	TVHJRPBUFLTQEX-UNWJWSRZSA-N	1	0	369.465	1.834	20	30		FDEDRO
N#Cc1ccccc1/C=C/C(=O)NCC(=O)NCC[NH+]1CCCCCC1	ZINC000817165308	942601097	/nfs/dbraw/zinc/60/10/97/942601097.db2.gz	YBRUYLKQOIPROU-MDZDMXLPSA-N	1	0	354.454	1.680	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cn(C)nc3C)C2)c1	ZINC001086798215	942605704	/nfs/dbraw/zinc/60/57/04/942605704.db2.gz	BRHISBQUEQRNSI-QFBILLFUSA-N	1	0	351.454	1.793	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)NCCN2CCc3sccc3C2)c1	ZINC000817806555	942958978	/nfs/dbraw/zinc/95/89/78/942958978.db2.gz	FOHKBGWREDCIIL-UHFFFAOYSA-N	1	0	367.474	1.520	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2(C)C[NH2+]C2)cc1	ZINC000817922738	943079436	/nfs/dbraw/zinc/07/94/36/943079436.db2.gz	KXDOVKBWDQILRS-XMHGGMMESA-N	1	0	350.444	1.047	20	30		FDEDRO
C=CCCN(OCc1ccccc1)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1	ZINC000817986881	943119386	/nfs/dbraw/zinc/11/93/86/943119386.db2.gz	VEUCLOMOTGGSIS-KRWDZBQOSA-N	1	0	361.442	1.099	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1	ZINC000818589127	943297046	/nfs/dbraw/zinc/29/70/46/943297046.db2.gz	RUWJQVNTUCGJFM-BZSNNMDCSA-N	1	0	355.486	1.685	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Cc1csc(NC(=O)c2ccco2)n1	ZINC000818611785	943302373	/nfs/dbraw/zinc/30/23/73/943302373.db2.gz	CQLSSJRCKPDCSK-UHFFFAOYSA-N	1	0	360.439	1.602	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnn(C)n3)C2)cc1	ZINC001086821801	943315597	/nfs/dbraw/zinc/31/55/97/943315597.db2.gz	BQJLKSNTAWSULD-DOTOQJQBSA-N	1	0	367.453	1.515	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1	ZINC000818593195	943323515	/nfs/dbraw/zinc/32/35/15/943323515.db2.gz	OZXDOYYJQQOLIU-UHFFFAOYSA-N	1	0	358.417	1.375	20	30		FDEDRO
N#Cc1ccc(NCC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])nc1	ZINC000818952824	943362010	/nfs/dbraw/zinc/36/20/10/943362010.db2.gz	YUYDWHSDGQVCIS-AWEZNQCLSA-N	1	0	357.370	1.303	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H](O)Cn1c(=O)onc1-c1ccccc1	ZINC000818979653	943368520	/nfs/dbraw/zinc/36/85/20/943368520.db2.gz	TXHLPYHRTYFFDZ-GFCCVEGCSA-N	1	0	354.204	1.362	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]C1CCN(C(=O)[C@@H](CC)c2ccccc2)CC1	ZINC000818991078	943375284	/nfs/dbraw/zinc/37/52/84/943375284.db2.gz	VOTWOMHDHPCDJJ-IBGZPJMESA-N	1	0	355.482	1.900	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H](C)c3cnccn3)C2)nn1	ZINC001086823386	943387500	/nfs/dbraw/zinc/38/75/00/943387500.db2.gz	BUBDJMDWAIOXFJ-SOUVJXGZSA-N	1	0	355.446	1.503	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc1	ZINC000819060563	943399463	/nfs/dbraw/zinc/39/94/63/943399463.db2.gz	PFNDUIASSIBPRB-HNNXBMFYSA-N	1	0	373.425	1.446	20	30		FDEDRO
C=C[C@H]1C[C@]1(Nc1ncccc1C(=O)NCCC[NH+](C)C)C(=O)OCC	ZINC001170922171	943412358	/nfs/dbraw/zinc/41/23/58/943412358.db2.gz	FOINSVZBQFOPOV-IFXJQAMLSA-N	1	0	360.458	1.683	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000819093224	943417256	/nfs/dbraw/zinc/41/72/56/943417256.db2.gz	LZOJZPQOYNPVKJ-UYSNPLJNSA-N	1	0	354.495	1.618	20	30		FDEDRO
C[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)CC1(C)OCCO1	ZINC000819095239	943418458	/nfs/dbraw/zinc/41/84/58/943418458.db2.gz	CJQMXDPFWFUDKP-ZDUSSCGKSA-N	1	0	353.444	1.106	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccns3)C2)nn1	ZINC001086824840	943437126	/nfs/dbraw/zinc/43/71/26/943437126.db2.gz	BTWVFOYMZXYWLD-UONOGXRCSA-N	1	0	360.487	1.999	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cn(C)nn2)C1	ZINC001086824925	943438045	/nfs/dbraw/zinc/43/80/45/943438045.db2.gz	HPURRCZTOOEERZ-MVJTYMMSSA-N	1	0	361.490	1.561	20	30		FDEDRO
COc1ccccc1N1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(C#N)cc2)C1=O	ZINC000819152357	943442804	/nfs/dbraw/zinc/44/28/04/943442804.db2.gz	RPOZZMKVCVGSTC-SJLPKXTDSA-N	1	0	351.406	1.995	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F	ZINC000819222121	943493522	/nfs/dbraw/zinc/49/35/22/943493522.db2.gz	NTZDAOVYAVBNIV-ZDUSSCGKSA-N	1	0	351.390	1.799	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+]C[C@H](O)CO[C@H]1CCCc2ccccc21	ZINC000819222406	943495177	/nfs/dbraw/zinc/49/51/77/943495177.db2.gz	QLZGTOQDTGCESH-WMZOPIPTSA-N	1	0	353.484	1.632	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl	ZINC000819223211	943495585	/nfs/dbraw/zinc/49/55/85/943495585.db2.gz	YEUSLVHBIFVILG-GFCCVEGCSA-N	1	0	368.282	1.924	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1	ZINC000819268847	943520380	/nfs/dbraw/zinc/52/03/80/943520380.db2.gz	XEPWJTVSVFGSQI-UHFFFAOYSA-N	1	0	362.373	1.338	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+]C[C@@H](O)COc1ccc(C#N)cc1	ZINC000819337314	943531910	/nfs/dbraw/zinc/53/19/10/943531910.db2.gz	MZAVWGWKXSXOBL-BGTYHANMSA-N	1	0	373.453	1.753	20	30		FDEDRO
C[C@H]1CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CCN1CCO	ZINC000819503088	943599526	/nfs/dbraw/zinc/59/95/26/943599526.db2.gz	HYCUYDLGQSVCJI-GJZGRUSLSA-N	1	0	368.478	1.099	20	30		FDEDRO
CC[C@@H](C(=O)N[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@H]1O)[NH+](CC)CC	ZINC001090529808	943748781	/nfs/dbraw/zinc/74/87/81/943748781.db2.gz	BMFYRXFDDHUMQR-IXDOHACOSA-N	1	0	359.474	1.048	20	30		FDEDRO
CC[C@H](C(=O)N[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1O)[NH+](CC)CC	ZINC001090529759	943761851	/nfs/dbraw/zinc/76/18/51/943761851.db2.gz	ABVASBPNFSMPHD-RBSFLKMASA-N	1	0	365.503	1.109	20	30		FDEDRO
O=C(N[C@@H]1CCN(O)C1=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F	ZINC000820137252	943910020	/nfs/dbraw/zinc/91/00/20/943910020.db2.gz	LUNGJPBVPCOQBC-UONOGXRCSA-N	1	0	353.369	1.250	20	30		FDEDRO
CON=C(C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C)c1csc(N)n1	ZINC000820478843	944065369	/nfs/dbraw/zinc/06/53/69/944065369.db2.gz	OVEBNCVQTDSCMV-NEPJUHHUSA-N	1	0	351.476	1.550	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nnn(C)c3C2)C1	ZINC001195615562	971083331	/nfs/dbraw/zinc/08/33/31/971083331.db2.gz	YIYAFCBPYWRRHN-QGPMSJSTSA-N	1	0	363.506	1.052	20	30		FDEDRO
CCC[C@@H]1CN(C(=O)C(=NOC)c2csc(N)n2)CC[N@@H+]1CCOC	ZINC000821452458	944511484	/nfs/dbraw/zinc/51/14/84/944511484.db2.gz	AJKYRQPLOIWHGT-GFCCVEGCSA-N	1	0	369.491	1.035	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)NCCC[N@@H+](C)CCN(C)C	ZINC000821563620	944566085	/nfs/dbraw/zinc/56/60/85/944566085.db2.gz	YUGMBDJHDHWXHT-UHFFFAOYSA-N	1	0	350.438	1.843	20	30		FDEDRO
C#CCN1C(=O)C[C@@H]([NH+]2CCC(CN(C)C(=O)OC(C)(C)C)CC2)C1=O	ZINC000821771792	944658491	/nfs/dbraw/zinc/65/84/91/944658491.db2.gz	NMRVERNILCIHTM-OAHLLOKOSA-N	1	0	363.458	1.326	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)c1	ZINC000822453616	945007782	/nfs/dbraw/zinc/00/77/82/945007782.db2.gz	KZSRWWDDFCLSDS-MRXNPFEDSA-N	1	0	362.495	1.945	20	30		FDEDRO
O=C(N[C@@H]1CCCN(O)C1=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2	ZINC000823160645	945542926	/nfs/dbraw/zinc/54/29/26/945542926.db2.gz	JCEOYIQYUHYBDY-MBOZVWFJSA-N	1	0	373.453	1.022	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1C[N@H+](CCOCc2ccc(OC)cc2)C[C@H]1O	ZINC001195725659	971155631	/nfs/dbraw/zinc/15/56/31/971155631.db2.gz	LWLCOEGXFPUKDW-RTBURBONSA-N	1	0	362.470	1.729	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1C[N@H+](CCCOc2ccc(OC)cc2)C[C@H]1O	ZINC001195726019	971155692	/nfs/dbraw/zinc/15/56/92/971155692.db2.gz	QMEZRADPRFOVCY-RTBURBONSA-N	1	0	362.470	1.982	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C)[NH+]1CCCCC1	ZINC001090720866	945968286	/nfs/dbraw/zinc/96/82/86/945968286.db2.gz	FIGSKCJGVBUSKB-SZVBFZGTSA-N	1	0	370.501	1.800	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)n1	ZINC001090723910	945987452	/nfs/dbraw/zinc/98/74/52/945987452.db2.gz	XSAVDFDOEFSEJF-RHSMWYFYSA-N	1	0	356.474	1.474	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+]C1(CO)CCSCC1	ZINC001171036173	946074984	/nfs/dbraw/zinc/07/49/84/946074984.db2.gz	MIEWZTWLDBVECA-UHFFFAOYSA-N	1	0	371.466	1.530	20	30		FDEDRO
CC[C@@H](C(=O)N[C@@H]1CN(c2snc(Cl)c2C#N)C[C@H]1C)[NH+](C)C	ZINC001090743062	946127232	/nfs/dbraw/zinc/12/72/32/946127232.db2.gz	SYNBMXAIIKJYME-JLLWLGSASA-N	1	0	355.895	1.949	20	30		FDEDRO
C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(N2CC[C@@H](O)C2)C1	ZINC000824019329	946179842	/nfs/dbraw/zinc/17/98/42/946179842.db2.gz	UITYWJJWBVRHHL-HZPDHXFCSA-N	1	0	367.490	1.513	20	30		FDEDRO
C#Cc1ccc(C[N@@H+](C)CCN(C)c2ccc(S(N)(=O)=O)cc2)cc1	ZINC000824649123	946625344	/nfs/dbraw/zinc/62/53/44/946625344.db2.gz	BKQGSZOKDBCFLN-UHFFFAOYSA-N	1	0	357.479	1.884	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1	ZINC001090796058	946781195	/nfs/dbraw/zinc/78/11/95/946781195.db2.gz	NSHBCDGGTXEFHX-HUUCEWRRSA-N	1	0	356.474	1.554	20	30		FDEDRO
C#CC[NH2+]CCCN(CC1CCCC1)C(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573286054	946794665	/nfs/dbraw/zinc/79/46/65/946794665.db2.gz	SMBCMMBZZIURIY-UHFFFAOYSA-N	1	0	355.446	1.440	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1	ZINC000856645598	971281858	/nfs/dbraw/zinc/28/18/58/971281858.db2.gz	BDGHYNYKVMULQC-APWZRJJASA-N	1	0	359.470	1.940	20	30		FDEDRO
CCc1noc(C[C@@]2(O)CCC[N@H+](CCOc3ccccc3C#N)C2)n1	ZINC000856672966	971298059	/nfs/dbraw/zinc/29/80/59/971298059.db2.gz	VZYKJSFIOUKKNT-IBGZPJMESA-N	1	0	356.426	1.952	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN([C@H](C)C(=O)NC(C)(C)C)C[C@H]2O)CC1	ZINC001195876813	971301194	/nfs/dbraw/zinc/30/11/94/971301194.db2.gz	RDNSLGQKVJUNRH-FVQBIDKESA-N	1	0	351.491	1.197	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C(C)(C)C1	ZINC001573561057	946960313	/nfs/dbraw/zinc/96/03/13/946960313.db2.gz	IHFCPZZDMSSJON-NHYWBVRUSA-N	1	0	371.420	1.492	20	30		FDEDRO
CC(C)[C@H](CCN(C)C(=O)[C@H](C)C#N)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573561741	946966377	/nfs/dbraw/zinc/96/63/77/946966377.db2.gz	MYTKGVKJEMJQJY-PBHICJAKSA-N	1	0	369.473	1.989	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)CC(C)(C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573562419	946975299	/nfs/dbraw/zinc/97/52/99/946975299.db2.gz	TZUWFWNSXWYARI-GFCCVEGCSA-N	1	0	373.436	1.740	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)C1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1	ZINC001573562648	946977812	/nfs/dbraw/zinc/97/78/12/946977812.db2.gz	VIOJEAVULREAAS-CYBMUJFWSA-N	1	0	353.430	1.449	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573564455	946992801	/nfs/dbraw/zinc/99/28/01/946992801.db2.gz	IUASVNPSMHDFOJ-WCQYABFASA-N	1	0	357.393	1.104	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@](C)(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573565452	947007570	/nfs/dbraw/zinc/00/75/70/947007570.db2.gz	QYXVHRKCVVSXET-SCLBCKFNSA-N	1	0	353.430	1.355	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC(CCN(C)c2cc[nH+]cc2-c2nn[nH]n2)CC1	ZINC001573565851	947015385	/nfs/dbraw/zinc/01/53/85/947015385.db2.gz	WSTSKLWYOZSHBP-ZDUSSCGKSA-N	1	0	368.445	1.486	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573565758	947016185	/nfs/dbraw/zinc/01/61/85/947016185.db2.gz	VJYLYSDUQFAJBR-YPMHNXCESA-N	1	0	357.393	1.198	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1	ZINC001573567201	947037102	/nfs/dbraw/zinc/03/71/02/947037102.db2.gz	KAOYJDSQMVWIAB-IFXJQAMLSA-N	1	0	365.441	1.451	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573567289	947041929	/nfs/dbraw/zinc/04/19/29/947041929.db2.gz	LJTUHQVKORUYNI-ZFWWWQNUSA-N	1	0	353.430	1.355	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@](C)(C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1	ZINC001573570482	947090032	/nfs/dbraw/zinc/09/00/32/947090032.db2.gz	PZMZBEINXKCZRO-KPZWWZAWSA-N	1	0	353.430	1.401	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@](C)(C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CC1	ZINC001573570889	947097897	/nfs/dbraw/zinc/09/78/97/947097897.db2.gz	WHFUJZBNLXBKNV-ZMZPIMSZSA-N	1	0	371.420	1.540	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@]1(C)CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573575394	947139264	/nfs/dbraw/zinc/13/92/64/947139264.db2.gz	YISJVUFWLOCYJR-PIGZYNQJSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C(C)(C)C	ZINC001573575566	947139701	/nfs/dbraw/zinc/13/97/01/947139701.db2.gz	YXBHLYDONJXQDY-NHYWBVRUSA-N	1	0	373.436	1.786	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@H]1CC[C@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1	ZINC001573304887	947145622	/nfs/dbraw/zinc/14/56/22/947145622.db2.gz	IUGVAFKBOWELKA-KBPBESRZSA-N	1	0	369.473	1.901	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@]1(C)CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573577131	947161494	/nfs/dbraw/zinc/16/14/94/947161494.db2.gz	MPRGKCGOMOFNIY-SJCJKPOMSA-N	1	0	354.418	1.144	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1	ZINC001573582853	947195512	/nfs/dbraw/zinc/19/55/12/947195512.db2.gz	HQBSIONPIVCZCB-GFCCVEGCSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1	ZINC001573583373	947202955	/nfs/dbraw/zinc/20/29/55/947202955.db2.gz	LGVOKJAULGZYQP-LBPRGKRZSA-N	1	0	371.420	1.494	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@]1(C)CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573309753	947207991	/nfs/dbraw/zinc/20/79/91/947207991.db2.gz	NXZPDXORHAEJHH-RTBURBONSA-N	1	0	370.457	1.274	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1	ZINC001573583833	947210221	/nfs/dbraw/zinc/21/02/21/947210221.db2.gz	PNOAUPTYBDZFQY-CYBMUJFWSA-N	1	0	353.430	1.355	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573584309	947218610	/nfs/dbraw/zinc/21/86/10/947218610.db2.gz	SXSBEPFVDIDHJM-BXUZGUMPSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC[C@H]1CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573584392	947221662	/nfs/dbraw/zinc/22/16/62/947221662.db2.gz	VDUURQBNRBBEGU-STQMWFEESA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@H]1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)CC1	ZINC001573584766	947231318	/nfs/dbraw/zinc/23/13/18/947231318.db2.gz	DLCWTZYIPVFTMH-MGPQQGTHSA-N	1	0	368.445	1.178	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F	ZINC001573585812	947268428	/nfs/dbraw/zinc/26/84/28/947268428.db2.gz	XAFNPCKGMTZJCO-IUIKQTSFSA-N	1	0	371.420	1.682	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1	ZINC001573585904	947273317	/nfs/dbraw/zinc/27/33/17/947273317.db2.gz	JNCUYGVEULYJQE-KCPJHIHWSA-N	1	0	371.420	1.682	20	30		FDEDRO
C=CCCCC(=O)N[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O	ZINC001573333904	947445104	/nfs/dbraw/zinc/44/51/04/947445104.db2.gz	HKDRGUITZLEJNY-DLBZAZTESA-N	1	0	370.457	1.274	20	30		FDEDRO
C=CCCCC(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2OC)C1	ZINC001573334558	947456233	/nfs/dbraw/zinc/45/62/33/947456233.db2.gz	ODKMGGWEYKSYJJ-MRXNPFEDSA-N	1	0	370.457	1.922	20	30		FDEDRO
C=CCCCC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1	ZINC001573335044	947470117	/nfs/dbraw/zinc/47/01/17/947470117.db2.gz	VMAFLYXUCFVGSM-UKRRQHHQSA-N	1	0	355.446	1.689	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1c1ccc(OC)cc1	ZINC001090874813	947484117	/nfs/dbraw/zinc/48/41/17/947484117.db2.gz	SJFDVAPXYALPOT-BPQIPLTHSA-N	1	0	357.454	1.291	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cc(C)nn2C)C[C@H]1c1ccc(OC)cc1	ZINC001090875798	947488299	/nfs/dbraw/zinc/48/82/99/947488299.db2.gz	HKRRRSZEIAQXQT-VQTJNVASSA-N	1	0	366.465	1.497	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2NCC#N)cc1	ZINC001090872270	947498805	/nfs/dbraw/zinc/49/88/05/947498805.db2.gz	GRWHMZXSDJVJJH-DQEVTTJGSA-N	1	0	356.470	1.443	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090872604	947502161	/nfs/dbraw/zinc/50/21/61/947502161.db2.gz	OJZXZOBAKAJBLT-NZSAHSFTSA-N	1	0	369.465	1.081	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]([N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573337421	947516853	/nfs/dbraw/zinc/51/68/53/947516853.db2.gz	XGROLRXIFKAEDT-KRWDZBQOSA-N	1	0	370.457	1.492	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@]2(CC)CCNC2=O)C[C@H]1c1ccc(OC)cc1	ZINC001090874150	947521293	/nfs/dbraw/zinc/52/12/93/947521293.db2.gz	CEUCOQPZVYZVQD-UEXGIBASSA-N	1	0	369.465	1.129	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1c1ccc(OC)cc1	ZINC001090874192	947522454	/nfs/dbraw/zinc/52/24/54/947522454.db2.gz	FKZNRAHCARTQGE-IPMKNSEASA-N	1	0	371.481	1.824	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)CC1(C)C	ZINC001573342758	947544531	/nfs/dbraw/zinc/54/45/31/947544531.db2.gz	CITMJYVQHMPGFS-MRXNPFEDSA-N	1	0	370.457	1.396	20	30		FDEDRO
C=CCOCC(=O)N[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)C(C)(C)C	ZINC001573343799	947564131	/nfs/dbraw/zinc/56/41/31/947564131.db2.gz	SUTDOBPETGICCO-INIZCTEOSA-N	1	0	372.473	1.690	20	30		FDEDRO
C=CCOCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1	ZINC001573344038	947567127	/nfs/dbraw/zinc/56/71/27/947567127.db2.gz	XCXXCSSKVRFZSV-GFCCVEGCSA-N	1	0	362.459	1.211	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@H]2NCC#N)cc1	ZINC001090880620	947592884	/nfs/dbraw/zinc/59/28/84/947592884.db2.gz	BMLQUOQDBGSPFQ-AYOQOUSVSA-N	1	0	356.470	1.587	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2NCC#N)cc1	ZINC001090880849	947596388	/nfs/dbraw/zinc/59/63/88/947596388.db2.gz	NAZKBBVXJIQXIL-IPMKNSEASA-N	1	0	358.486	1.689	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2NCC#N)cc1	ZINC001090882805	947620632	/nfs/dbraw/zinc/62/06/32/947620632.db2.gz	UEOBXPGZWLXGJH-VQTJNVASSA-N	1	0	370.497	1.835	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCN2CCCC2=O)C[C@H]1c1ccc(OC)cc1	ZINC001090885211	947658931	/nfs/dbraw/zinc/65/89/31/947658931.db2.gz	HZMAVROXUZZKTA-RBUKOAKNSA-N	1	0	369.465	1.225	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccnc(C)n2)C[C@H]1c1ccc(OC)cc1	ZINC001090885284	947660368	/nfs/dbraw/zinc/66/03/68/947660368.db2.gz	JVADSTFIFKWGME-PKOBYXMFSA-N	1	0	350.422	1.625	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@]2(C)CC(c3ccccc3)=NO2)c1C#N	ZINC000856825376	971420087	/nfs/dbraw/zinc/42/00/87/971420087.db2.gz	DVKLOWCTWPRLHF-IBGZPJMESA-N	1	0	366.425	1.955	20	30		FDEDRO
CO[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+]1CCCC1	ZINC001090892615	947750190	/nfs/dbraw/zinc/75/01/90/947750190.db2.gz	XZBIFFYXYIMOFS-QRVBRYPASA-N	1	0	371.485	1.393	20	30		FDEDRO
CC[C@@H](C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1OC)[NH+](CC)CC	ZINC001090945280	948042273	/nfs/dbraw/zinc/04/22/73/948042273.db2.gz	MWAPZVPPHBVLAH-SOLBZPMBSA-N	1	0	359.474	1.393	20	30		FDEDRO
Cn1ccc(CN2CCOCC23CC[NH+](Cc2cncc(C#N)c2)CC3)n1	ZINC001144080429	948201362	/nfs/dbraw/zinc/20/13/62/948201362.db2.gz	LNURZPVPDZIATP-UHFFFAOYSA-N	1	0	366.469	1.554	20	30		FDEDRO
CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(C#N)n2)C1	ZINC001090995054	948258338	/nfs/dbraw/zinc/25/83/38/948258338.db2.gz	PLKJMJDOGDNJLL-HZPDHXFCSA-N	1	0	358.490	1.541	20	30		FDEDRO
N#Cc1ccc(C[NH+]2CCC3(C[C@H](C(=O)N4CCOCC4)CO3)CC2)nc1	ZINC001144160343	948304982	/nfs/dbraw/zinc/30/49/82/948304982.db2.gz	GJPCJFJIKBQWJM-KRWDZBQOSA-N	1	0	370.453	1.183	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1Nc1nccnc1C#N	ZINC001091009934	948435728	/nfs/dbraw/zinc/43/57/28/948435728.db2.gz	KRNBXAOWPFWMKP-RHSMWYFYSA-N	1	0	365.441	1.529	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)C1	ZINC000844862533	948439612	/nfs/dbraw/zinc/43/96/12/948439612.db2.gz	LRPLYOHMNNEVKY-RBUKOAKNSA-N	1	0	374.485	1.590	20	30		FDEDRO
CC[C@@H](C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O)[NH+](CC)CC	ZINC001196115152	971486475	/nfs/dbraw/zinc/48/64/75/971486475.db2.gz	KFQSOBJUEDDTGB-CEXWTWQISA-N	1	0	358.486	1.340	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCO[C@@H]2CN(c3cccc(F)c3C#N)C[C@@H]21	ZINC001091047107	948610274	/nfs/dbraw/zinc/61/02/74/948610274.db2.gz	VCAGCJULPQJMNL-ZWKOTPCHSA-N	1	0	360.433	1.455	20	30		FDEDRO
C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(CC#N)c1	ZINC000845343493	949041688	/nfs/dbraw/zinc/04/16/88/949041688.db2.gz	PKRGQPHMJXWTBB-ZDUSSCGKSA-N	1	0	350.423	1.190	20	30		FDEDRO
CC(C)(C)C#CC(=O)N[C@H]1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1	ZINC001573792792	949266912	/nfs/dbraw/zinc/26/69/12/949266912.db2.gz	DRFAJIZPNPSBQE-ZFWWWQNUSA-N	1	0	367.457	1.430	20	30		FDEDRO
C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H](C)C[NH+]1CCCC1	ZINC000845665205	949803882	/nfs/dbraw/zinc/80/38/82/949803882.db2.gz	RKRRCYIWDNKVJA-UONOGXRCSA-N	1	0	365.455	1.253	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)OC[C@H]2CC[N@H+]2C(C)(C)C)cc1	ZINC000845741781	949875790	/nfs/dbraw/zinc/87/57/90/949875790.db2.gz	YNGQVMGDBQEFEL-OAHLLOKOSA-N	1	0	364.467	1.628	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@@H]1O	ZINC001091160838	949915763	/nfs/dbraw/zinc/91/57/63/949915763.db2.gz	QLQXWGRKFMJUMW-KGLIPLIRSA-N	1	0	365.865	1.003	20	30		FDEDRO
C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC000845817466	949979580	/nfs/dbraw/zinc/97/95/80/949979580.db2.gz	HOFSKYQHAFPQLA-NFAWXSAZSA-N	1	0	365.455	1.108	20	30		FDEDRO
CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@@H](C)C#N	ZINC001574150243	950027209	/nfs/dbraw/zinc/02/72/09/950027209.db2.gz	AQWRUUCKNRBNFU-RYUDHWBXSA-N	1	0	361.475	1.708	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(N)c(NC(C)(C)C)cc1F	ZINC000845939796	950221817	/nfs/dbraw/zinc/22/18/17/950221817.db2.gz	RZOMPVNRKGYIDR-UHFFFAOYSA-N	1	0	370.494	1.852	20	30		FDEDRO
C[C@@H](C#N)OCCN1C(=O)NC2(CC[NH+](Cc3ccccc3)CC2)C1=O	ZINC000857225990	971658252	/nfs/dbraw/zinc/65/82/52/971658252.db2.gz	WYEWARCGQOULKH-HNNXBMFYSA-N	1	0	356.426	1.502	20	30		FDEDRO
C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@H+](C)Cc1cccc(C#N)c1	ZINC001574990981	950389414	/nfs/dbraw/zinc/38/94/14/950389414.db2.gz	GYYABJOZDANXDU-GFCCVEGCSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[C@H](C#N)CN(C)CN1C(=O)NC2(CC[NH+](Cc3ccccc3)CC2)C1=O	ZINC000857231780	971662010	/nfs/dbraw/zinc/66/20/10/971662010.db2.gz	SPJFJKRWWJBNBT-MRXNPFEDSA-N	1	0	369.469	1.622	20	30		FDEDRO
C=CCCN(OCc1ccccc1)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1	ZINC000857244355	971670750	/nfs/dbraw/zinc/67/07/50/971670750.db2.gz	HHGIVDTYIFRGFZ-XLIONFOSSA-N	1	0	357.454	1.863	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)nc1	ZINC000846139226	950620045	/nfs/dbraw/zinc/62/00/45/950620045.db2.gz	XUXXLTPFNZEWEE-YESZJQIVSA-N	1	0	372.473	1.293	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)NCCC[N@@H+](C)CC(C)C)c1	ZINC000846292051	950870663	/nfs/dbraw/zinc/87/06/63/950870663.db2.gz	YRKGJTWTZKJODR-UHFFFAOYSA-N	1	0	365.499	1.306	20	30		FDEDRO
C[C@@H]1CN(c2cc(F)cc(NC(=O)N[C@H]3C[NH2+]C[C@H]3C#N)c2)C[C@H](C)O1	ZINC000846311873	950906892	/nfs/dbraw/zinc/90/68/92/950906892.db2.gz	CPOOADDFWDAFCS-ZHRONYKTSA-N	1	0	361.421	1.672	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H]3CCN(C(=O)CCC[NH+]4CCCC4)C[C@@H]32)nn1	ZINC001091213814	950949749	/nfs/dbraw/zinc/94/97/49/950949749.db2.gz	SCLAQRYTOAUSJL-WMZOPIPTSA-N	1	0	368.485	1.651	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC([NH2+]Cc2cn(C)nc2C(F)F)C1	ZINC001091242351	951139987	/nfs/dbraw/zinc/13/99/87/951139987.db2.gz	GTCNBHGTALTSFV-AXVKAWJUSA-N	1	0	368.428	1.933	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCC1CC([NH2+]Cc2ccc(C#N)s2)C1	ZINC001091234705	951170832	/nfs/dbraw/zinc/17/08/32/951170832.db2.gz	LJPZNHIPPYROKC-UQZDFYISSA-N	1	0	360.483	1.328	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC([NH2+]Cc2nnc(C3CC3)n2C)C1	ZINC001091238196	951191880	/nfs/dbraw/zinc/19/18/80/951191880.db2.gz	LSRQUDHPAZYSDR-GDVJOBBMSA-N	1	0	359.474	1.268	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC(NCc2noc(CCCC)n2)C1	ZINC001091238333	951191901	/nfs/dbraw/zinc/19/19/01/951191901.db2.gz	RSGCFXCUPMXFEO-FJBKBRRZSA-N	1	0	362.474	1.988	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NC2CC(C[NH2+]Cc3ccccc3C#N)C2)O1	ZINC000961991254	1013110368	/nfs/dbraw/zinc/11/03/68/1013110368.db2.gz	QTZPVMZNBBXFDR-RMZQHLLMSA-N	1	0	356.470	1.262	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)[NH+]1CCCCC1	ZINC000846725725	951495241	/nfs/dbraw/zinc/49/52/41/951495241.db2.gz	OGYSIEGAGYZBDH-MAUKXSAKSA-N	1	0	372.469	1.041	20	30		FDEDRO
C#C[C@H]1CCC[N@@H+](C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1	ZINC000847020947	951775066	/nfs/dbraw/zinc/77/50/66/951775066.db2.gz	GWOOHNBLQIXNNL-ICSRJNTNSA-N	1	0	357.498	1.523	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)/C=C/c4ccco4)C[C@]3(C)C2)C1=O	ZINC001091443057	951805445	/nfs/dbraw/zinc/80/54/45/951805445.db2.gz	YYKBRQGGKFWMBA-VDVGAZAASA-N	1	0	369.465	1.860	20	30		FDEDRO
C[C@]12CN(C(=O)c3cnns3)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001091512873	951910329	/nfs/dbraw/zinc/91/03/29/951910329.db2.gz	BXMZOUURXHMHTB-APWZRJJASA-N	1	0	352.463	1.984	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@H]3CCOC3)C[C@H]1C[N@H+](Cc1ccc(OCC#N)cc1)C2	ZINC001091529032	951948579	/nfs/dbraw/zinc/94/85/79/951948579.db2.gz	ZAZCUXPPELRWNY-OPYAIIAOSA-N	1	0	369.465	1.906	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cc[nH]c4C)C[C@]3(C)C2)C1=O	ZINC001091584001	952142879	/nfs/dbraw/zinc/14/28/79/952142879.db2.gz	ISBSBQABOJLBFQ-MDYRTPRTSA-N	1	0	356.470	1.504	20	30		FDEDRO
Cn1ncc(C(=O)N2C[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@@]3(C)C2)c1N	ZINC001091617121	952322451	/nfs/dbraw/zinc/32/24/51/952322451.db2.gz	LKRCOQYZWUCMHE-UTKZUKDTSA-N	1	0	363.465	1.448	20	30		FDEDRO
CC(C)(C(=O)NC[C@H]1CC[C@@H](Nc2ccncc2C#N)C1)[NH+]1CCCC1	ZINC001091622495	952343690	/nfs/dbraw/zinc/34/36/90/952343690.db2.gz	OZACNRIMQWEDNY-DOTOQJQBSA-N	1	0	355.486	1.946	20	30		FDEDRO
C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(-n2cncn2)cc1	ZINC000772981548	952403125	/nfs/dbraw/zinc/40/31/25/952403125.db2.gz	FPRNNHNWYDPDES-BZSIDJSBSA-N	1	0	352.398	1.444	20	30		FDEDRO
Cc1cc(N[C@@H]2CC[C@H](CNC(=O)C[N@H+]3CC[C@@H](C)C3)C2)c(C#N)cn1	ZINC001091636938	952417345	/nfs/dbraw/zinc/41/73/45/952417345.db2.gz	JJMDTYHAIYTQIP-UWWQBHOKSA-N	1	0	355.486	1.722	20	30		FDEDRO
Cn1cnc(C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@@]3(C)C2)n1	ZINC001091648096	952490865	/nfs/dbraw/zinc/49/08/65/952490865.db2.gz	VZWARTUVGDRBSD-APWZRJJASA-N	1	0	350.426	1.281	20	30		FDEDRO
C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc2c(c1)CCC(=O)N2	ZINC000772984539	952501969	/nfs/dbraw/zinc/50/19/69/952501969.db2.gz	OIXOKACDGOBQDA-OUIWWDRTSA-N	1	0	354.410	1.748	20	30		FDEDRO
C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1C[N@H+](C[C@@H]1CCCS(=O)(=O)C1)C2	ZINC001091659932	952520601	/nfs/dbraw/zinc/52/06/01/952520601.db2.gz	VXSVJHJJPOQSQS-SCTDSRPQSA-N	1	0	364.511	1.005	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CNc1ccc(C#N)cn1	ZINC001091672890	952612621	/nfs/dbraw/zinc/61/26/21/952612621.db2.gz	YAMSKFYLBHFNHT-IAGOWNOFSA-N	1	0	359.474	1.570	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCn3cccn3)C[C@@]2(C)C1	ZINC001091682905	952630106	/nfs/dbraw/zinc/63/01/06/952630106.db2.gz	POFZJOQTOUPHOV-XSYGEPLQSA-N	1	0	358.486	1.645	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](CNc2ccnc(C#N)n2)C1	ZINC001091690670	952663906	/nfs/dbraw/zinc/66/39/06/952663906.db2.gz	KDQGPXALZZSYAE-CABCVRRESA-N	1	0	356.474	1.151	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@]2(C)C1	ZINC001091736811	952764100	/nfs/dbraw/zinc/76/41/00/952764100.db2.gz	DISCYSHFESRFRH-SYNHAJSKSA-N	1	0	356.470	1.299	20	30		FDEDRO
C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCO[C@H]3c3cnn(C)c3)C[C@]2(C)C1	ZINC001091749174	952788652	/nfs/dbraw/zinc/78/86/52/952788652.db2.gz	COFQYXPQCGOMGM-XSYGEPLQSA-N	1	0	356.470	1.301	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[C@@H]3N3CCCC3=O)C[C@]2(C)C1	ZINC001091752290	952802768	/nfs/dbraw/zinc/80/27/68/952802768.db2.gz	VNDSWQXVSSUMSO-IWQHBPENSA-N	1	0	371.525	1.971	20	30		FDEDRO
CC(C)(C(N)=O)C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@]2(C)C1	ZINC001091757583	952806679	/nfs/dbraw/zinc/80/66/79/952806679.db2.gz	MKPSFGWRAMLUMC-UZLBHIALSA-N	1	0	354.454	1.350	20	30		FDEDRO
C=CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1	ZINC000282738023	952852266	/nfs/dbraw/zinc/85/22/66/952852266.db2.gz	XSDUGBBJIPKXTN-MRXNPFEDSA-N	1	0	360.506	1.868	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(Cl)no3)C2)C1=O	ZINC001086859829	952880445	/nfs/dbraw/zinc/88/04/45/952880445.db2.gz	VGOJDMPKZZICSC-XQQFMLRXSA-N	1	0	366.849	1.603	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C(N)=O)c3)C2)s1	ZINC001086876408	952928249	/nfs/dbraw/zinc/92/82/49/952928249.db2.gz	OTKSTHZIQDPOOS-WCQYABFASA-N	1	0	371.466	1.735	20	30		FDEDRO
COc1ncccc1C[NH2+][C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1c1cnn(C)c1	ZINC001086970675	952972391	/nfs/dbraw/zinc/97/23/91/952972391.db2.gz	DJGXLHMNSSKZRX-XOKHGSTOSA-N	1	0	368.441	1.068	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2c2cnn(C)c2)cn1	ZINC001086970774	952972486	/nfs/dbraw/zinc/97/24/86/952972486.db2.gz	HRSIDLCBSUDFCR-RRQGHBQHSA-N	1	0	368.441	1.068	20	30		FDEDRO
Cc1ncsc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1c1cnn(C)c1	ZINC001086971103	952973431	/nfs/dbraw/zinc/97/34/31/952973431.db2.gz	XNHBTWPUZBZGFW-TUKIKUTGSA-N	1	0	358.471	1.429	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCc2ccccc2)C1	ZINC001086971300	952974024	/nfs/dbraw/zinc/97/40/24/952974024.db2.gz	IHMIDQDRNQWNSX-ZYSHUDEJSA-N	1	0	351.454	1.706	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2[NH2+]Cc2ccc(F)cn2)cn1	ZINC001086978359	952989998	/nfs/dbraw/zinc/98/99/98/952989998.db2.gz	ROPKDQSYDCLYFO-RBUKOAKNSA-N	1	0	367.428	1.452	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3n[nH]cc32)C[C@H]1c1cnn(C)c1	ZINC001086979227	952992281	/nfs/dbraw/zinc/99/22/81/952992281.db2.gz	PWEUXSMGKGUXEW-QILLFSRXSA-N	1	0	354.458	1.333	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc3scnc32)C[C@H]1c1cnn(C)c1	ZINC001086979363	952992654	/nfs/dbraw/zinc/99/26/54/952992654.db2.gz	WXCSYAFGEYCPQU-JKSUJKDBSA-N	1	0	365.462	1.861	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnc3n2[C@H](C)CCC3)C[C@H]1c1cnn(C)c1	ZINC001086979692	952993412	/nfs/dbraw/zinc/99/34/12/952993412.db2.gz	NCWNBSKIBJCCLI-HYVNUMGLSA-N	1	0	368.485	1.898	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cncc(COC)c2)C[C@H]1c1cnn(C)c1	ZINC001086983072	952996633	/nfs/dbraw/zinc/99/66/33/952996633.db2.gz	VTZKKVIUDLCCPY-ZWKOTPCHSA-N	1	0	355.442	1.345	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)nn2CC)C[C@H]1c1cnn(C)c1	ZINC001086983907	952997962	/nfs/dbraw/zinc/99/79/62/952997962.db2.gz	ODONDXOWMSNAOF-FUHWJXTLSA-N	1	0	366.469	1.345	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1	ZINC001086985016	953000334	/nfs/dbraw/zinc/00/03/34/953000334.db2.gz	PECWWKRLFUVBSS-ZWKOTPCHSA-N	1	0	370.453	1.175	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cccnc2)C[C@H]1c1cnn(C)c1	ZINC001086985406	953002307	/nfs/dbraw/zinc/00/23/07/953002307.db2.gz	ILYNGNAGNDHSFY-ZWKOTPCHSA-N	1	0	353.470	1.863	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(F)ccc2OC)C[C@H]1c1cnn(C)c1	ZINC001086989708	953015666	/nfs/dbraw/zinc/01/56/66/953015666.db2.gz	PJVYIUWMQJFCIL-DLBZAZTESA-N	1	0	358.417	1.952	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnc3onc(C)c3c2)C[C@H]1c1cnn(C)c1	ZINC001086990501	953017954	/nfs/dbraw/zinc/01/79/54/953017954.db2.gz	FZOQRTSYCKIDDM-DLBZAZTESA-N	1	0	366.425	1.649	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]C[C@@H]2CCOC2)C1	ZINC001086991202	953019783	/nfs/dbraw/zinc/01/97/83/953019783.db2.gz	QFMCIXCWEQLCTQ-RYQLBKOJSA-N	1	0	360.502	1.943	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cnnn2CC)C1	ZINC001086991348	953020459	/nfs/dbraw/zinc/02/04/59/953020459.db2.gz	WULSVDMGSWORDL-DLBZAZTESA-N	1	0	371.489	1.328	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1O	ZINC001196691810	971890396	/nfs/dbraw/zinc/89/03/96/971890396.db2.gz	KQURNOPOBKNJJO-KZNAEPCWSA-N	1	0	351.491	1.199	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccn(C(F)F)n2)C[C@H]1c1cnn(C)c1	ZINC001086980951	953031539	/nfs/dbraw/zinc/03/15/39/953031539.db2.gz	GILUGQQKNFZYEA-GXTWGEPZSA-N	1	0	350.373	1.396	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3ncncc3C2)C[C@H]1c1cnn(C)c1	ZINC001086982199	953034925	/nfs/dbraw/zinc/03/49/25/953034925.db2.gz	YFJUHQLYYWIAJE-UCLAIMLFSA-N	1	0	366.469	1.085	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]C[C@@H]3CCOC3)C2)C1	ZINC001086996295	953036729	/nfs/dbraw/zinc/03/67/29/953036729.db2.gz	XTYIJKPQYPLCDT-RYQLBKOJSA-N	1	0	358.486	1.697	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(CC)cn2)C[C@H]1c1cnn(C)c1	ZINC001086998135	953042609	/nfs/dbraw/zinc/04/26/09/953042609.db2.gz	VREOKQWOMHXAJP-RBUKOAKNSA-N	1	0	351.454	1.137	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC(=C)C)NC(C)=O)C1	ZINC001196692216	971892132	/nfs/dbraw/zinc/89/21/32/971892132.db2.gz	ZGBNVSLVOYNYRJ-KZNAEPCWSA-N	1	0	351.491	1.365	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(C)C)[nH]c2=O)C[C@H]1c1cnn(C)c1	ZINC001087000711	953052035	/nfs/dbraw/zinc/05/20/35/953052035.db2.gz	LGDYHSQWAJQEGN-FUHWJXTLSA-N	1	0	367.453	1.475	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC3CCC3)C2)nn1	ZINC001087000943	953053374	/nfs/dbraw/zinc/05/33/74/953053374.db2.gz	WFXMMFQKBMELLZ-DLBZAZTESA-N	1	0	369.473	1.196	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC(=C)C)C2)nn1	ZINC001087001449	953054665	/nfs/dbraw/zinc/05/46/65/953054665.db2.gz	VLJWLKWZUMCPEA-DLBZAZTESA-N	1	0	369.473	1.362	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2cnn(C)c2)C[C@H]1c1cnn(C)c1	ZINC001087003971	953060984	/nfs/dbraw/zinc/06/09/84/953060984.db2.gz	YUYNNIGOTSFDHV-JCGIZDLHSA-N	1	0	356.474	1.102	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@](C)(OC)c2ccccc2)C[C@H]1c1cnn(C)c1	ZINC001087005545	953064718	/nfs/dbraw/zinc/06/47/18/953064718.db2.gz	IPESRSVGCDMQDP-ZVDOUQERSA-N	1	0	366.465	1.499	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cccnc2N(C)C)C[C@H]1c1cnn(C)c1	ZINC001087009382	953097781	/nfs/dbraw/zinc/09/77/81/953097781.db2.gz	CRJHEKPDRZHJBK-ZWKOTPCHSA-N	1	0	368.485	1.655	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2c(C)nn(C)c2C)C[C@H]1c1cnn(C)c1	ZINC001087011608	953104355	/nfs/dbraw/zinc/10/43/55/953104355.db2.gz	GBRBMAPKMLMKSC-JEBQAFNWSA-N	1	0	370.501	1.644	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cnsn2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087030832	953125738	/nfs/dbraw/zinc/12/57/38/953125738.db2.gz	BCPMKGOVNYSQHI-NVXWUHKLSA-N	1	0	371.466	1.677	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1csc(COC)n1	ZINC001087036022	953146876	/nfs/dbraw/zinc/14/68/76/953146876.db2.gz	VPDNSQSWDZYAJT-UMVBOHGHSA-N	1	0	366.487	1.402	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1nc(C)c(C)o1	ZINC001087040131	953156834	/nfs/dbraw/zinc/15/68/34/953156834.db2.gz	SPJQIYXNTZKKJY-NVXWUHKLSA-N	1	0	371.441	1.758	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1cc(C)on1	ZINC001087045741	953171812	/nfs/dbraw/zinc/17/18/12/953171812.db2.gz	SKBIIQCCWKBLMP-RHSMWYFYSA-N	1	0	357.414	1.450	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](O)C(C)C)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087050829	953179215	/nfs/dbraw/zinc/17/92/15/953179215.db2.gz	VFSAZBUBHFEQAK-GUDVDZBRSA-N	1	0	359.470	1.528	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1cc(C)on1	ZINC001087046122	953193384	/nfs/dbraw/zinc/19/33/84/953193384.db2.gz	LZQRNYMSXCUQMQ-CXAGYDPISA-N	1	0	357.414	1.450	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2cn(C)nn2)[C@H](OCC)C1	ZINC001087057732	953194663	/nfs/dbraw/zinc/19/46/63/953194663.db2.gz	RPGPILOOJPTYEH-UKRRQHHQSA-N	1	0	369.897	1.547	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2nc(C3CC3)no2)C1	ZINC001196749406	971908143	/nfs/dbraw/zinc/90/81/43/971908143.db2.gz	RPDDENZFXYNVRS-HZPDHXFCSA-N	1	0	362.474	1.787	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)nn2)[C@H](OCC)C1	ZINC001087072366	953227074	/nfs/dbraw/zinc/22/70/74/953227074.db2.gz	COPZUQVDKOXPOC-GDBMZVCRSA-N	1	0	362.474	1.651	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087081301	953238577	/nfs/dbraw/zinc/23/85/77/953238577.db2.gz	FVCMHHZCGPKWEK-NVXWUHKLSA-N	1	0	371.416	1.687	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087093390	953258732	/nfs/dbraw/zinc/25/87/32/953258732.db2.gz	HVFDQQQTLIBMGP-IEBWSBKVSA-N	1	0	365.437	1.615	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C(C)(C)CC)C[C@H]2OCC)C1=O	ZINC001087078413	953263100	/nfs/dbraw/zinc/26/31/00/953263100.db2.gz	WOPXDJYJPSKXCS-IXDOHACOSA-N	1	0	365.518	1.663	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087100949	953272001	/nfs/dbraw/zinc/27/20/01/953272001.db2.gz	MJYYJJZCACIJGK-IEBWSBKVSA-N	1	0	367.453	1.559	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2nonc2C)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087104034	953277198	/nfs/dbraw/zinc/27/71/98/953277198.db2.gz	LZURMAAMIXCUOQ-IAGOWNOFSA-N	1	0	369.425	1.517	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ccnn3C)[C@H](OCC)C2)cn1	ZINC001087097195	953284094	/nfs/dbraw/zinc/28/40/94/953284094.db2.gz	ASTXRIOMZPFLEI-VQIMIIECSA-N	1	0	367.453	1.063	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cncn3C)[C@H](OCC)C2)nc1	ZINC001087097319	953284477	/nfs/dbraw/zinc/28/44/77/953284477.db2.gz	JHKSWZOXYZMTCA-VQIMIIECSA-N	1	0	367.453	1.063	20	30		FDEDRO
C[C@]12CN(C(=O)c3cnc[nH]c3=O)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001091769706	953292669	/nfs/dbraw/zinc/29/26/69/953292669.db2.gz	IZYLKSNVMNIWAR-UZLBHIALSA-N	1	0	363.421	1.648	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CCN1c1cnc(C#N)cn1	ZINC001091785964	953303804	/nfs/dbraw/zinc/30/38/04/953303804.db2.gz	HPTDXHGPCVKYIE-DLBZAZTESA-N	1	0	356.474	1.698	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CCN1c1ccncc1C#N	ZINC001091798595	953326663	/nfs/dbraw/zinc/32/66/63/953326663.db2.gz	CURHIAKYOUDBGV-ZWKOTPCHSA-N	1	0	371.485	1.538	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)CCN1c1nccnc1C#N	ZINC001091806542	953337029	/nfs/dbraw/zinc/33/70/29/953337029.db2.gz	SOPXNACTQFXTMJ-OFQRWUPVSA-N	1	0	362.453	1.502	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc(OCC(N)=O)cc3)C[C@]2(C)C1	ZINC001091833827	953384792	/nfs/dbraw/zinc/38/47/92/953384792.db2.gz	DDMBZGIRXGXUJP-UZLBHIALSA-N	1	0	357.454	1.521	20	30		FDEDRO
CC[C@H](C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)[C@@H]1CC)[NH+](CC)CC	ZINC001091826180	953500362	/nfs/dbraw/zinc/50/03/62/953500362.db2.gz	KPOFIPIAYYSKBN-GVDBMIGSSA-N	1	0	358.490	1.942	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(OC)cc3)C[C@]2(C)C1	ZINC001091828123	953507009	/nfs/dbraw/zinc/50/70/09/953507009.db2.gz	DPDARPMUGGSEMQ-QRWLVFNGSA-N	1	0	355.438	1.437	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1C[C@H]2CCN(c3ncc(C#N)cc3F)C[C@H]2C1	ZINC001091858619	953577630	/nfs/dbraw/zinc/57/76/30/953577630.db2.gz	UZRHPFYWCSJJCN-CVEARBPZSA-N	1	0	359.449	1.719	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cnn(C)c3-n3cccc3)C[C@]2(C)C1	ZINC001091901724	953657967	/nfs/dbraw/zinc/65/79/67/953657967.db2.gz	CNDOQMNLSVETNR-UZLBHIALSA-N	1	0	351.454	1.628	20	30		FDEDRO
CN1CC[C@@H](C(=O)N2C[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@@]3(C)C2)C1=O	ZINC001091930675	953724670	/nfs/dbraw/zinc/72/46/70/953724670.db2.gz	OQZOOWOROBGGLM-KNKQGSTJSA-N	1	0	365.477	1.297	20	30		FDEDRO
C[C@]12CN(C(=O)C3(C(N)=O)CC3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1F)C2	ZINC001091970979	953772524	/nfs/dbraw/zinc/77/25/24/953772524.db2.gz	JRABDHBZMFQFMX-BEFAXECRSA-N	1	0	370.428	1.243	20	30		FDEDRO
C[C@]12CN(C(=O)C3(C(N)=O)CC3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001091970848	953772720	/nfs/dbraw/zinc/77/27/20/953772720.db2.gz	GPVNZMPAJZTALV-APWZRJJASA-N	1	0	352.438	1.104	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)C(C)(C)C4CC4)C[C@]3(C)C2)C1=O	ZINC001091939087	953790358	/nfs/dbraw/zinc/79/03/58/953790358.db2.gz	XJSXCAYZMAUDDF-WWMYMODYSA-N	1	0	359.514	1.990	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cnnc3)cc2)C1	ZINC001196925014	971972608	/nfs/dbraw/zinc/97/26/08/971972608.db2.gz	HKWFAYMNZGYADR-RTBURBONSA-N	1	0	369.469	1.789	20	30		FDEDRO
CCCCCC[N@H+](C)CC(=O)N[C@H]1CCN(c2nccnc2C#N)[C@@H]1C	ZINC001092000805	953928582	/nfs/dbraw/zinc/92/85/82/953928582.db2.gz	LBMPNROXKNCXHW-CVEARBPZSA-N	1	0	358.490	1.944	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)C4(C)CC=CC4)C[C@]3(C)C2)C1=O	ZINC001091977554	953971945	/nfs/dbraw/zinc/97/19/45/953971945.db2.gz	GTQJMUYWPHGKBY-LZJOCLMNSA-N	1	0	357.498	1.910	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)[C@@H]1C)[NH+]1CCCCC1	ZINC001091979496	953976486	/nfs/dbraw/zinc/97/64/86/953976486.db2.gz	HOTDDXVSVARGNA-AYBZRNKSSA-N	1	0	370.501	1.942	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3cccc(C)c3n2)C1	ZINC001196905236	971983747	/nfs/dbraw/zinc/98/37/47/971983747.db2.gz	SRQFGJHKKMXOOX-CGTJXYLNSA-N	1	0	356.470	1.701	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc(CNC(C)=O)s3)C[C@]2(C)C1	ZINC001092051964	954142643	/nfs/dbraw/zinc/14/26/43/954142643.db2.gz	XIVYQXFZAOTBNF-BEFAXECRSA-N	1	0	359.495	1.801	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC(=O)N(CC)CC)C1	ZINC001196970245	971991511	/nfs/dbraw/zinc/99/15/11/971991511.db2.gz	YNEWJCUAVAIUBV-QZTJIDSGSA-N	1	0	367.534	1.933	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2csc(C(C)(C)C)n2)C1	ZINC001196940457	971998653	/nfs/dbraw/zinc/99/86/53/971998653.db2.gz	TYMOMQAPHJQIAI-HUUCEWRRSA-N	1	0	367.515	1.347	20	30		FDEDRO
C[C@]12CN(C(=O)C[C@H]3CCC(=O)N3)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001092093160	954263448	/nfs/dbraw/zinc/26/34/48/954263448.db2.gz	OIAJZUIFSQIOER-OPYAIIAOSA-N	1	0	366.465	1.507	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)C[C@]2(C)C1	ZINC001092151669	954404676	/nfs/dbraw/zinc/40/46/76/954404676.db2.gz	PSRORFNSPAWRFV-FCEWJHQRSA-N	1	0	359.474	1.285	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CCCS(=O)(=O)C3)C[C@]2(C)C1	ZINC001092175993	954463989	/nfs/dbraw/zinc/46/39/89/954463989.db2.gz	QAWOWNJHHXPQCK-JZXOWHBKSA-N	1	0	352.500	1.005	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cc(Cn4cccn4)on3)C[C@]2(C)C1	ZINC001092183834	954479488	/nfs/dbraw/zinc/47/94/88/954479488.db2.gz	MNUZIWWZVJNNOJ-BEFAXECRSA-N	1	0	353.426	1.337	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3cc(Cn4cccn4)on3)C[C@]2(C)C1	ZINC001092184605	954481621	/nfs/dbraw/zinc/48/16/21/954481621.db2.gz	YARUCXKSVFCGGD-BEFAXECRSA-N	1	0	355.442	1.889	20	30		FDEDRO
C=C(Br)CN1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1	ZINC001092203644	954532114	/nfs/dbraw/zinc/53/21/14/954532114.db2.gz	UPMOVJAQGNXPLW-ZBFHGGJFSA-N	1	0	368.319	1.771	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@H]2C[N@H+](CCn3cncn3)C[C@@]2(C)C1	ZINC001092232689	954580220	/nfs/dbraw/zinc/58/02/20/954580220.db2.gz	YIFRXHCVYIGXJS-CTNGQTDRSA-N	1	0	363.465	1.282	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4[nH]cnc4CC)C[C@]3(C)C2)C1=O	ZINC001092239798	954596385	/nfs/dbraw/zinc/59/63/85/954596385.db2.gz	MWVMXOGIABQNAZ-IIMJZQEZSA-N	1	0	371.485	1.153	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+](Cc4nccnc4C)C[C@@]3(C)C2)nc1	ZINC001092211841	954619026	/nfs/dbraw/zinc/61/90/26/954619026.db2.gz	PSZDVERAJBWZHG-UTKZUKDTSA-N	1	0	361.449	1.755	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+](Cc4cc(C)ncn4)C[C@@]3(C)C2)cn1	ZINC001092212003	954620320	/nfs/dbraw/zinc/62/03/20/954620320.db2.gz	YGXNYKFPADKVOT-UTKZUKDTSA-N	1	0	361.449	1.755	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+](Cc4cnc(C)o4)C[C@@]3(C)C2)nc1	ZINC001092211965	954620854	/nfs/dbraw/zinc/62/08/54/954620854.db2.gz	WLVHZBRHSPHMKJ-UZLBHIALSA-N	1	0	350.422	1.953	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)COc3cccc(C(N)=O)c3)C[C@]2(C)C1	ZINC001092298347	954738311	/nfs/dbraw/zinc/73/83/11/954738311.db2.gz	ZCCQRBMTUDWNBC-UZLBHIALSA-N	1	0	357.454	1.521	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N2C[C@H]3CN(c4ccncc4C#N)C[C@@]3(C)C2)CC1	ZINC001092303891	954764232	/nfs/dbraw/zinc/76/42/32/954764232.db2.gz	RLUKFCUFIZNZNA-APWZRJJASA-N	1	0	353.470	1.580	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N1C[C@H]2CN(c3cc(C)ncc3C#N)C[C@@]2(C)C1	ZINC001092295425	954904212	/nfs/dbraw/zinc/90/42/12/954904212.db2.gz	DJCBKHUGCMREBY-XLIONFOSSA-N	1	0	355.486	1.888	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(=O)CCC)C[C@]2(C)C1	ZINC001092296942	954909375	/nfs/dbraw/zinc/90/93/75/954909375.db2.gz	NQSMHFQOUOEZSQ-LQWHRVPQSA-N	1	0	359.514	1.971	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1C	ZINC001092366616	955033244	/nfs/dbraw/zinc/03/32/44/955033244.db2.gz	PAONNDGANHFQJM-IXDOHACOSA-N	1	0	371.485	1.110	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H](CNC(=O)c3cnccn3)[C@H](C)C2)cc1C#N	ZINC001092439066	955102061	/nfs/dbraw/zinc/10/20/61/955102061.db2.gz	UWFSLYDXAGGCPI-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](CNC(=O)C[N@@H+]3CCC[C@H]3C)[C@H](C)C2)n1	ZINC001092445343	955118994	/nfs/dbraw/zinc/11/89/94/955118994.db2.gz	RYKUNTRUAMGAEM-FVQBIDKESA-N	1	0	356.474	1.330	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C	ZINC001092446401	955123375	/nfs/dbraw/zinc/12/33/75/955123375.db2.gz	VETJVCVYKWBWNK-HUUCEWRRSA-N	1	0	358.490	1.515	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1	ZINC001092410895	955138441	/nfs/dbraw/zinc/13/84/41/955138441.db2.gz	ZSHQHHZUDIADIW-CRAIPNDOSA-N	1	0	355.486	1.874	20	30		FDEDRO
Cc1cc(N2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3CCC[N@@H+]3C)C2)c(C#N)cn1	ZINC001092484348	955240088	/nfs/dbraw/zinc/24/00/88/955240088.db2.gz	LDOBHLDEMPUKAD-KYJSFNMBSA-N	1	0	355.486	1.935	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc(F)ccc2OC)C1	ZINC001197091203	972076082	/nfs/dbraw/zinc/07/60/82/972076082.db2.gz	RNXLNRTTZWTOSW-IAOVAPTHSA-N	1	0	350.434	1.893	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)c1ccnn1C	ZINC001092499345	955266794	/nfs/dbraw/zinc/26/67/94/955266794.db2.gz	SXMPUZBGPPVUKP-NVXWUHKLSA-N	1	0	354.429	1.909	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)c1nccnc1N	ZINC001092514280	955297545	/nfs/dbraw/zinc/29/75/45/955297545.db2.gz	CRSVIMXCNMIKBG-IUODEOHRSA-N	1	0	368.416	1.567	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3ccncc3F)[C@H](C)C2)C1=O	ZINC001092518081	955303079	/nfs/dbraw/zinc/30/30/79/955303079.db2.gz	IYBNIUPQABVEQS-CPUCHLNUSA-N	1	0	360.433	1.305	20	30		FDEDRO
C[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1CCNC(=O)C[NH+]1CCCC1	ZINC001092519039	955305974	/nfs/dbraw/zinc/30/59/74/955305974.db2.gz	GIYSLNFAQBTVQU-GDBMZVCRSA-N	1	0	359.449	1.767	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3CCOC3)[C@H](C)C2)cc1C#N	ZINC001092491967	955346590	/nfs/dbraw/zinc/34/65/90/955346590.db2.gz	KXCZDLDXAUWXTB-QGPMSJSTSA-N	1	0	357.454	1.787	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC001092551308	955402831	/nfs/dbraw/zinc/40/28/31/955402831.db2.gz	WHCIQHMVPKNPFB-CZUORRHYSA-N	1	0	365.437	1.483	20	30		FDEDRO
COc1ccnc(C[N@H+]2C[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)c1	ZINC001092551346	955403065	/nfs/dbraw/zinc/40/30/65/955403065.db2.gz	XVVHOJFHGDMWBI-ZIAGYGMSSA-N	1	0	353.426	1.788	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC001092551903	955407170	/nfs/dbraw/zinc/40/71/70/955407170.db2.gz	ABSKKHOZMAPQBL-NVXWUHKLSA-N	1	0	371.485	1.443	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC001092552443	955410207	/nfs/dbraw/zinc/41/02/07/955410207.db2.gz	ZJMFFSGQBFEQRW-CXAGYDPISA-N	1	0	365.437	1.483	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC001092553356	955416621	/nfs/dbraw/zinc/41/66/21/955416621.db2.gz	WRYAMCPJVWDLNO-CXAGYDPISA-N	1	0	365.437	1.483	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3csnc3C)[C@H](C)C2)C1=O	ZINC001092553542	955416927	/nfs/dbraw/zinc/41/69/27/955416927.db2.gz	JCEIAGYBNLKCAY-XNRPHZJLSA-N	1	0	362.499	1.536	20	30		FDEDRO
CC(C)N1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)C1=O	ZINC001092554993	955424696	/nfs/dbraw/zinc/42/46/96/955424696.db2.gz	MGHYJJDXWHXFCU-FRFSOERESA-N	1	0	357.458	1.193	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)c1cncnc1	ZINC001092557823	955440907	/nfs/dbraw/zinc/44/09/07/955440907.db2.gz	FQJJLLSHVMGZFU-CXAGYDPISA-N	1	0	353.401	1.985	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CCNC(=O)[C@@]12CC[N@H+](C1)CCC2	ZINC001092533494	955503433	/nfs/dbraw/zinc/50/34/33/955503433.db2.gz	QJLIXDYHLKRSFY-QINHECLXSA-N	1	0	368.485	1.413	20	30		FDEDRO
CC[C@H](C(=O)NCC[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1C)[NH+](C)C	ZINC001092539696	955530913	/nfs/dbraw/zinc/53/09/13/955530913.db2.gz	QVSJLGVGCVIYOB-FRFSOERESA-N	1	0	358.490	1.576	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3sccc3F)[C@H](C)C2)C1=O	ZINC001092589965	955566810	/nfs/dbraw/zinc/56/68/10/955566810.db2.gz	GYSMYEGRUYYNMT-UMVBOHGHSA-N	1	0	365.474	1.972	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC001092572775	955685456	/nfs/dbraw/zinc/68/54/56/955685456.db2.gz	CJCKMFMZIHLFLJ-LTIDMASMSA-N	1	0	370.501	1.657	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](CCNC(=O)C[N@H+]3CC[C@@H](C)C3)C2)n1	ZINC001092584063	955730094	/nfs/dbraw/zinc/73/00/94/955730094.db2.gz	FLSAUBUAQWHSSK-BFYDXBDKSA-N	1	0	370.501	1.577	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)NCC[C@@H]2CN(c3nccnc3C#N)C[C@H]2C)C1	ZINC001092584138	955731724	/nfs/dbraw/zinc/73/17/24/955731724.db2.gz	IWJSCDFXXMOMDL-ARFHVFGLSA-N	1	0	356.474	1.269	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)[C@]12C[C@H]1COC2	ZINC001092624870	955874293	/nfs/dbraw/zinc/87/42/93/955874293.db2.gz	OUCRCSUSNBEGAI-OCQZMCQHSA-N	1	0	369.465	1.810	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1C[C@@H](CNc2cc(C#N)nc(CC)n2)[C@H](C)C1	ZINC001092657637	955918153	/nfs/dbraw/zinc/91/81/53/955918153.db2.gz	RZRLYVZLDCBFFZ-HUUCEWRRSA-N	1	0	358.490	1.759	20	30		FDEDRO
CCC[N@H+](C)CC(=O)NC[C@]12CCC[C@H]1N(c1cncc(C#N)n1)CC2	ZINC001092701225	956092546	/nfs/dbraw/zinc/09/25/46/956092546.db2.gz	VBBBRSCELTYYFH-VQIMIIECSA-N	1	0	356.474	1.555	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C	ZINC001092703604	956108569	/nfs/dbraw/zinc/10/85/69/956108569.db2.gz	IZLYQQIHQHXERP-ZYHUDNBSSA-N	1	0	359.455	1.855	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC001092725633	956189254	/nfs/dbraw/zinc/18/92/54/956189254.db2.gz	UFMFOZDTVPLDJB-VURPSTOHSA-N	1	0	369.509	1.441	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@]2(C)CN(c3ncccc3C#N)CCO2)CC[N@@H+]1C	ZINC001092778669	956422236	/nfs/dbraw/zinc/42/22/36/956422236.db2.gz	HQBKNMGDUUIEGT-QKLQHJQFSA-N	1	0	371.485	1.395	20	30		FDEDRO
N#Cc1ccc(CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c([N+](=O)[O-])c1	ZINC001197359088	972205919	/nfs/dbraw/zinc/20/59/19/972205919.db2.gz	MAIUWBPVOJKNSL-UHFFFAOYSA-N	1	0	371.441	1.772	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(N3CCOCC3)CCC2)C1	ZINC001197326511	972208552	/nfs/dbraw/zinc/20/85/52/972208552.db2.gz	CKMHPXXJZADXRS-QZTJIDSGSA-N	1	0	367.534	1.373	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)cc(C#N)n1	ZINC001092865480	956737740	/nfs/dbraw/zinc/73/77/40/956737740.db2.gz	SIBYWGFTKOVTMU-IKGGRYGDSA-N	1	0	356.474	1.615	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)cc(C#N)n1	ZINC001092888262	956798315	/nfs/dbraw/zinc/79/83/15/956798315.db2.gz	VAYQXWHQNNFVEP-NCOADZHNSA-N	1	0	374.464	1.563	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3C)[C@H](C)C2)c1	ZINC001092889384	956800052	/nfs/dbraw/zinc/80/00/52/956800052.db2.gz	DGVWHKWOOGAOBQ-FXRXJOCMSA-N	1	0	353.466	1.947	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21	ZINC001092889876	956802296	/nfs/dbraw/zinc/80/22/96/956802296.db2.gz	OFHZMFZQGXNYMH-FZWVUDROSA-N	1	0	357.429	1.774	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)[C@@H]1CCN(C)C1=O	ZINC001092897632	956826929	/nfs/dbraw/zinc/82/69/29/956826929.db2.gz	KYTMOCMTLGIROL-IOASZLSFSA-N	1	0	360.483	1.282	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[N@@H+](CCO[C@@H]3CC3(F)F)C[C@H]2C)c1	ZINC001092952559	956886816	/nfs/dbraw/zinc/88/68/16/956886816.db2.gz	MVGIEGGFSWWHNV-KBRIMQKVSA-N	1	0	363.408	1.785	20	30		FDEDRO
C=C1CCC(C(=O)NC[C@@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]2C)CC1	ZINC001092939887	956964183	/nfs/dbraw/zinc/96/41/83/956964183.db2.gz	BMEDRCZSJHMNIF-SOLBZPMBSA-N	1	0	368.543	1.852	20	30		FDEDRO
N#Cc1cncc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC[NH+]2CCCCC2)C3)n1	ZINC001092976750	956971144	/nfs/dbraw/zinc/97/11/44/956971144.db2.gz	SCSWQLPXDXDKGS-KURKYZTESA-N	1	0	368.485	1.840	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nc1	ZINC001092977481	956973533	/nfs/dbraw/zinc/97/35/33/956973533.db2.gz	SNXQARQCPVGBKG-OPNNQBFTSA-N	1	0	369.469	1.147	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)cn1	ZINC001092977453	956973635	/nfs/dbraw/zinc/97/36/35/956973635.db2.gz	RJCBOPYHWKEVPU-HPBDAGMYSA-N	1	0	369.469	1.147	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)[C@H](C)C1	ZINC001092965250	956998566	/nfs/dbraw/zinc/99/85/66/956998566.db2.gz	ZDMRSJNRXZDETA-ZJPYXAASSA-N	1	0	363.502	1.417	20	30		FDEDRO
Cc1cc(C#N)nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C3)n1	ZINC001092994270	957080611	/nfs/dbraw/zinc/08/06/11/957080611.db2.gz	MJTHNSUPJPVPKF-NCOADZHNSA-N	1	0	356.474	1.469	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)c1ccnnc1	ZINC001092999305	957099892	/nfs/dbraw/zinc/09/98/92/957099892.db2.gz	FXVWKFFERSKEHS-CXAGYDPISA-N	1	0	353.401	1.985	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ncc(C)s3)C[C@H]2C)nn1	ZINC001093034980	957252373	/nfs/dbraw/zinc/25/23/73/957252373.db2.gz	IGXUPDXUKPOHNA-TZMCWYRMSA-N	1	0	360.487	1.727	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3ncccc3F)[C@H](C)C2)C1=O	ZINC001093082620	957356294	/nfs/dbraw/zinc/35/62/94/957356294.db2.gz	DKLHABTYMMQGFI-IIAWOOMASA-N	1	0	360.433	1.305	20	30		FDEDRO
C[N@@H+]1CCCN(Cc2cccc(C(=O)Nc3cnc(C#N)cn3)c2)CC1	ZINC001197486952	972262543	/nfs/dbraw/zinc/26/25/43/972262543.db2.gz	KFCHZXJPYRJBLT-UHFFFAOYSA-N	1	0	350.426	1.738	20	30		FDEDRO
C[N@H+](CC(=O)N[C@]12CCC[C@H]1CN(c1nccnc1C#N)C2)CC(C)(C)C	ZINC001093103496	957436846	/nfs/dbraw/zinc/43/68/46/957436846.db2.gz	FCGQMFWIDFZQAD-YWZLYKJASA-N	1	0	370.501	1.801	20	30		FDEDRO
CC[C@@H](C(=O)N[C@]12CCC[C@H]1CN(c1cncc(C#N)n1)C2)[NH+](CC)CC	ZINC001093103550	957443024	/nfs/dbraw/zinc/44/30/24/957443024.db2.gz	HNSHFUJLVQQCHQ-KNBMTAEXSA-N	1	0	370.501	1.944	20	30		FDEDRO
CC[C@@H](C(=O)N[C@]12CCC[C@H]1CN(c1ccc(C#N)nn1)C2)[NH+](CC)CC	ZINC001093103929	957449908	/nfs/dbraw/zinc/44/99/08/957449908.db2.gz	RZLCRANNHHWWML-KNBMTAEXSA-N	1	0	370.501	1.944	20	30		FDEDRO
C[N@H+](CC(=O)N[C@]12CCC[C@H]1CN(c1ccncc1C#N)C2)C1CCC1	ZINC001093106372	957475595	/nfs/dbraw/zinc/47/55/95/957475595.db2.gz	NLEKULVMCSYCNK-JXFKEZNVSA-N	1	0	353.470	1.913	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1C[C@@H]2CCC[C@]2(CNc2cncc(C#N)n2)C1	ZINC001093124250	957588007	/nfs/dbraw/zinc/58/80/07/957588007.db2.gz	WDJMKUOPWVGWNC-KXBFYZLASA-N	1	0	356.474	1.731	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@H]2C)nc1	ZINC001093140991	957637642	/nfs/dbraw/zinc/63/76/42/957637642.db2.gz	LFLIASWOBHKLED-GDBMZVCRSA-N	1	0	371.872	1.911	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3cc4n(n3)CCC4)C[C@H]2C)nc1	ZINC001093143223	957640580	/nfs/dbraw/zinc/64/05/80/957640580.db2.gz	USRCLXWOOKUACB-NVXWUHKLSA-N	1	0	363.465	1.704	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@H]2C)cn1	ZINC001093143296	957642142	/nfs/dbraw/zinc/64/21/42/957642142.db2.gz	YSLGILXTLUCMGP-NVXWUHKLSA-N	1	0	351.454	1.337	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H](CNC(=O)c3ccn(C)n3)[C@H](C)C2)cc1C#N	ZINC001093197265	957764045	/nfs/dbraw/zinc/76/40/45/957764045.db2.gz	HFJLQJVMDWIGAS-RHSMWYFYSA-N	1	0	367.453	1.798	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3ccccn3)C[C@H]2C)C1=O	ZINC001093270801	957936716	/nfs/dbraw/zinc/93/67/16/957936716.db2.gz	LDZHNQWCKQUXNC-JFIYKMOQSA-N	1	0	356.470	1.556	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3c[nH]c(C)n3)C[C@H]2C)C1=O	ZINC001093271300	957938603	/nfs/dbraw/zinc/93/86/03/957938603.db2.gz	GVQDEZFDFOVEQU-BMFZPTHFSA-N	1	0	359.474	1.193	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3ncccc3C)C[C@H]2C)C1=O	ZINC001093274890	957945831	/nfs/dbraw/zinc/94/58/31/957945831.db2.gz	UEHITFAHSDMQFM-KURKYZTESA-N	1	0	370.497	1.865	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H]3CCCN(C)C3=O)C2)cc1	ZINC001093281783	957960148	/nfs/dbraw/zinc/96/01/48/957960148.db2.gz	VBRJPAJWJXBNIB-AHRSYUTCSA-N	1	0	367.493	1.977	20	30		FDEDRO
COCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccccc3C#N)C2)[C@H]1C(C)C	ZINC001093414720	958031282	/nfs/dbraw/zinc/03/12/82/958031282.db2.gz	FPUHQIYTFBLASS-VURPSTOHSA-N	1	0	371.481	1.671	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc(C(N)=O)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452364	958040685	/nfs/dbraw/zinc/04/06/85/958040685.db2.gz	HTADGSVRLZILNH-NEYJZJCJSA-N	1	0	371.481	1.551	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)c2ccc(C#N)[nH]2)C[C@]12C[C@@H](O)[C@H]([NH2+]CC1CC1)C2	ZINC001093441790	958078722	/nfs/dbraw/zinc/07/87/22/958078722.db2.gz	DVWMMVZVGSSDHJ-MLYOOKFZSA-N	1	0	356.470	1.876	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncn(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093442771	958081619	/nfs/dbraw/zinc/08/16/19/958081619.db2.gz	LAAFVGREXSUOSV-VMUDFCTBSA-N	1	0	367.881	1.147	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cc(C)n[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093442862	958082530	/nfs/dbraw/zinc/08/25/30/958082530.db2.gz	KXQQKNDFPLITFG-JYBIWHBTSA-N	1	0	360.502	1.803	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cc(C)n[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093442857	958082582	/nfs/dbraw/zinc/08/25/82/958082582.db2.gz	KXQQKNDFPLITFG-HNBVOPMISA-N	1	0	360.502	1.803	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccnn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093443826	958086033	/nfs/dbraw/zinc/08/60/33/958086033.db2.gz	UWUXRAFPUJOJGE-IZBJGVDFSA-N	1	0	360.502	1.505	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cccc(OCCC)c2)C1	ZINC001197627291	972318624	/nfs/dbraw/zinc/31/86/24/972318624.db2.gz	GMMGBUKGAQAZJW-RTBURBONSA-N	1	0	362.470	1.382	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc4nc[nH]c4n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093449609	958117975	/nfs/dbraw/zinc/11/79/75/958117975.db2.gz	HNJYIQUSAMLEKN-WOCWXWTJSA-N	1	0	369.469	1.724	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccn3CC=C)[C@H]2C(C)C)C[C@H]1O	ZINC001093450927	958128370	/nfs/dbraw/zinc/12/83/70/958128370.db2.gz	PUGXGFZJMHLJSO-RDPOXOKHSA-N	1	0	355.482	1.887	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnc(OC)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093452063	958136807	/nfs/dbraw/zinc/13/68/07/958136807.db2.gz	CEEBLHUTYCYXQQ-HBXLWWENSA-N	1	0	357.454	1.303	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(N(C)C)nc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093452214	958138204	/nfs/dbraw/zinc/13/82/04/958138204.db2.gz	FIMFVEDMHXIIIW-PLOVASNDSA-N	1	0	370.497	1.361	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnc(OC)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093452065	958138365	/nfs/dbraw/zinc/13/83/65/958138365.db2.gz	CEEBLHUTYCYXQQ-ZTRFORPCSA-N	1	0	357.454	1.303	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C)nc3OC)[C@H]2C(C)C)C[C@H]1O	ZINC001093459920	958186053	/nfs/dbraw/zinc/18/60/53/958186053.db2.gz	NOLUTVKEXVJDHI-JEWRLFTDSA-N	1	0	362.474	1.194	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(OCC)no3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093460095	958187946	/nfs/dbraw/zinc/18/79/46/958187946.db2.gz	XZNLYBUZDNVOHQ-PHNROFDPSA-N	1	0	361.442	1.286	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ncccc3F)[C@@H]2C(C)C)C[C@H]1O	ZINC001093461475	958193639	/nfs/dbraw/zinc/19/36/39/958193639.db2.gz	JGMIUAGFAOQRRA-LFGUQSLTSA-N	1	0	359.445	1.363	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ocnc3C(F)F)[C@@H]2C(C)C)C[C@H]1O	ZINC001093464071	958198334	/nfs/dbraw/zinc/19/83/34/958198334.db2.gz	BURYGAQYSCWOHX-AOFRTTMKSA-N	1	0	367.396	1.825	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)CC2CC[NH+](C)CC2)C[C@@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001093464222	958199703	/nfs/dbraw/zinc/19/97/03/958199703.db2.gz	ASHWHIFLMRKVID-IZBJGVDFSA-N	1	0	362.518	1.208	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nccc4[nH]ccc43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093466392	958208641	/nfs/dbraw/zinc/20/86/41/958208641.db2.gz	NEFIDNAAOFJWRU-ZJSJBZJDSA-N	1	0	366.465	1.776	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncc(OC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093466572	958210328	/nfs/dbraw/zinc/21/03/28/958210328.db2.gz	NYWWJNGMJBMVKQ-HAYUQVRISA-N	1	0	360.458	1.251	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc4cccnn43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093466801	958210808	/nfs/dbraw/zinc/21/08/08/958210808.db2.gz	PYBSANDGPPCGRT-VELGLUOQSA-N	1	0	366.465	1.547	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccn(C)c3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093467349	958213340	/nfs/dbraw/zinc/21/33/40/958213340.db2.gz	UZWJCGFRLWMSDP-VELGLUOQSA-N	1	0	357.498	1.800	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(C)CCOCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093468610	958221151	/nfs/dbraw/zinc/22/11/51/958221151.db2.gz	AEXRUVOYZIZSIP-WWNBULGVSA-N	1	0	350.503	1.955	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)C[NH+]2CCC(C)CC2)C[C@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001093470220	958227197	/nfs/dbraw/zinc/22/71/97/958227197.db2.gz	RHJPGOAIKPDEHN-JYBIWHBTSA-N	1	0	362.518	1.208	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)nn(C)c3F)[C@@H]2C(C)C)C[C@H]1O	ZINC001093471009	958231588	/nfs/dbraw/zinc/23/15/88/958231588.db2.gz	BNMAJINOEXCUAS-UMHPPVOVSA-N	1	0	364.465	1.633	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(OC)nn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093471400	958234379	/nfs/dbraw/zinc/23/43/79/958234379.db2.gz	DXCCYLHYYXWWQX-IIHSZXCVSA-N	1	0	360.458	1.251	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)c3cnc[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093471765	958235238	/nfs/dbraw/zinc/23/52/38/958235238.db2.gz	GNYDYHQZBPCOCW-YVTWGWGSSA-N	1	0	360.502	1.839	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C#C)nc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093472005	958236963	/nfs/dbraw/zinc/23/69/63/958236963.db2.gz	HOZIGSSXPGMWFU-XCJLJZCSSA-N	1	0	351.450	1.276	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)c2c[nH+]ccc2N(C)C)C[C@@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001093472696	958241000	/nfs/dbraw/zinc/24/10/00/958241000.db2.gz	KPJJMQNVJDBIRV-PHXBYCTMSA-N	1	0	371.485	1.251	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc4nccn4c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093473724	958245007	/nfs/dbraw/zinc/24/50/07/958245007.db2.gz	RWDKITKDIOFSMJ-PLOVASNDSA-N	1	0	366.465	1.547	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(=O)n(C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093453668	958264109	/nfs/dbraw/zinc/26/41/09/958264109.db2.gz	XDPKHKARFHCJKG-CIWUYKSXSA-N	1	0	359.470	1.151	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(C)c3Cl)[C@H]2C(C)C)C[C@H]1O	ZINC001093454142	958264908	/nfs/dbraw/zinc/26/49/08/958264908.db2.gz	ZPCCGEHIUJCBNA-BSXFFOKHSA-N	1	0	364.877	1.286	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN3CCCCC3=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001093454580	958268020	/nfs/dbraw/zinc/26/80/20/958268020.db2.gz	BCWNRJUGDMPAKG-SMOSDQRPSA-N	1	0	363.502	1.151	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3n[nH]c4c3CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093456562	958277587	/nfs/dbraw/zinc/27/75/87/958277587.db2.gz	FSMHOHVPDUQVRL-QQTQMKHKSA-N	1	0	358.486	1.664	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3nc(C)cc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093458214	958281801	/nfs/dbraw/zinc/28/18/01/958281801.db2.gz	MLGRQOZENLXKSF-HNBVOPMISA-N	1	0	360.502	1.652	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3nccs3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093478093	958291715	/nfs/dbraw/zinc/29/17/15/958291715.db2.gz	BSSBJQHBVGOWTQ-OHDICMOHSA-N	1	0	361.511	1.675	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3cscn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093478167	958292717	/nfs/dbraw/zinc/29/27/17/958292717.db2.gz	CENSDIGEHKSZOR-ZAWLATJESA-N	1	0	361.511	1.675	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nc(C)c(C)s3)[C@H]2C(C)C)C[C@H]1O	ZINC001093478310	958294030	/nfs/dbraw/zinc/29/40/30/958294030.db2.gz	DRCWWPIUYJXWHD-OAFZBRQQSA-N	1	0	361.511	1.973	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3cnn(C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093481068	958305824	/nfs/dbraw/zinc/30/58/24/958305824.db2.gz	SDZVQVGIRLBSOO-IZBJGVDFSA-N	1	0	360.502	1.505	20	30		FDEDRO
C#CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)CC1	ZINC001093488761	958311303	/nfs/dbraw/zinc/31/13/03/958311303.db2.gz	TVBNDDLAJZLFTI-MHTWAQMVSA-N	1	0	371.525	1.574	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001093618231	958347269	/nfs/dbraw/zinc/34/72/69/958347269.db2.gz	STPVSEGOGBNOCR-CZUORRHYSA-N	1	0	353.401	1.985	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3ccc(F)cc3)C[C@H]2C)C1=O	ZINC001093612924	958373737	/nfs/dbraw/zinc/37/37/37/958373737.db2.gz	VNWIJDGJIXQRGH-QGPMSJSTSA-N	1	0	359.445	1.910	20	30		FDEDRO
C[NH+](C)CCCNC(=S)NN=C1CCC[C@H]1NC(=O)OC(C)(C)C	ZINC000773206965	958455125	/nfs/dbraw/zinc/45/51/25/958455125.db2.gz	JNBZCOVSUABJOI-GFCCVEGCSA-N	1	0	357.524	1.835	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(S(C)(=O)=O)o2)[C@H](C)C1	ZINC001093677711	958530292	/nfs/dbraw/zinc/53/02/92/958530292.db2.gz	BYLMJGUEHKZVPB-JHJVBQTASA-N	1	0	353.444	1.027	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093712422	958576425	/nfs/dbraw/zinc/57/64/25/958576425.db2.gz	VIRKRSYRZLCUQQ-ZTFGCOKTSA-N	1	0	354.454	1.269	20	30		FDEDRO
CCn1nc(C)c(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)n1	ZINC001093722610	958599709	/nfs/dbraw/zinc/59/97/09/958599709.db2.gz	SWFCARZBGRGPAQ-TZMCWYRMSA-N	1	0	355.446	1.304	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1cn(C(C)(C)C)nn1	ZINC001093725521	958607256	/nfs/dbraw/zinc/60/72/56/958607256.db2.gz	PDSJZGKEGLOHIW-UKRRQHHQSA-N	1	0	369.473	1.731	20	30		FDEDRO
C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C2)C1	ZINC000964032603	1013180486	/nfs/dbraw/zinc/18/04/86/1013180486.db2.gz	XKTNWQOARKSWLT-JCIFFFGLSA-N	1	0	362.392	1.926	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1ccnc(N(C)C)c1	ZINC001093726000	958610302	/nfs/dbraw/zinc/61/03/02/958610302.db2.gz	NDEREKHABYICCB-RHSMWYFYSA-N	1	0	366.469	1.845	20	30		FDEDRO
CCn1nncc1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)c(C#N)c2)[C@H](C)C1	ZINC001093756334	958689149	/nfs/dbraw/zinc/68/91/49/958689149.db2.gz	LWVZBSSPTRHHTR-CZUORRHYSA-N	1	0	370.432	1.807	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)cc3)[C@H](C)C2)[nH]1	ZINC001093760419	958699135	/nfs/dbraw/zinc/69/91/35/958699135.db2.gz	MBQIBQPAMZLNNP-CXAGYDPISA-N	1	0	352.442	1.412	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1nc2ccccc2c(=O)[nH]1	ZINC001093763035	958704039	/nfs/dbraw/zinc/70/40/39/958704039.db2.gz	XLGBSEGSBWXNNE-GDBMZVCRSA-N	1	0	364.449	1.933	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(C(N)=O)c3)C[C@H]21	ZINC000962024698	1013183563	/nfs/dbraw/zinc/18/35/63/1013183563.db2.gz	QKQQQFNDRAJUMV-QTMHVTGLSA-N	1	0	369.465	1.313	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093819475	958882412	/nfs/dbraw/zinc/88/24/12/958882412.db2.gz	UBZBMZNPYUUTLA-RVKKMQEKSA-N	1	0	354.454	1.269	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cn(C)nc2C)[C@H](C)C1	ZINC001093832898	958926024	/nfs/dbraw/zinc/92/60/24/958926024.db2.gz	GKRPIDRTSXHWPW-SUMDDJOVSA-N	1	0	357.502	1.010	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCN(C)C2=O)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093844207	958965074	/nfs/dbraw/zinc/96/50/74/958965074.db2.gz	SWWXZNJSYRPZSS-ATZDWAIDSA-N	1	0	368.481	1.611	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CC3CC(F)(F)C3)C[C@H]2C)C1=O	ZINC001093872522	959068852	/nfs/dbraw/zinc/06/88/52/959068852.db2.gz	UXHKHULUMURPJG-FVQBIDKESA-N	1	0	369.456	1.893	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCNC(=O)CC2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093943481	959305526	/nfs/dbraw/zinc/30/55/26/959305526.db2.gz	JKBBVIGCQYVBBM-GPMSIDNRSA-N	1	0	368.481	1.659	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001093966663	959378178	/nfs/dbraw/zinc/37/81/78/959378178.db2.gz	JCFIZRUZNHLAJR-IUODEOHRSA-N	1	0	371.416	1.634	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093967104	959379114	/nfs/dbraw/zinc/37/91/14/959379114.db2.gz	TZAOKPZVVSSTMQ-CZUORRHYSA-N	1	0	353.426	1.495	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001093967494	959380872	/nfs/dbraw/zinc/38/08/72/959380872.db2.gz	ZYMLLTPQKBCKSI-IUODEOHRSA-N	1	0	371.416	1.634	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093981605	959532543	/nfs/dbraw/zinc/53/25/43/959532543.db2.gz	NRDSBFLLKDJBFR-IOASZLSFSA-N	1	0	360.483	1.282	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3cnc(C)o3)[C@H](C)C2)nn1	ZINC001094100009	959783839	/nfs/dbraw/zinc/78/38/39/959783839.db2.gz	WCTHZKARHUFLHQ-UKRRQHHQSA-N	1	0	358.446	1.649	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001094108859	959787779	/nfs/dbraw/zinc/78/77/79/959787779.db2.gz	UFJZUHAVMBNWCN-IUODEOHRSA-N	1	0	356.405	1.324	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001094132659	959857943	/nfs/dbraw/zinc/85/79/43/959857943.db2.gz	PAQKTSOABDKFES-NVXWUHKLSA-N	1	0	367.453	1.739	20	30		FDEDRO
COc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)s3)[C@H](C)C2)nn1	ZINC001094149475	959908417	/nfs/dbraw/zinc/90/84/17/959908417.db2.gz	AZZCUKGROSAJLG-CHWSQXEVSA-N	1	0	371.466	1.916	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCCOC2)[C@H](C)C1	ZINC001094173992	959974875	/nfs/dbraw/zinc/97/48/75/959974875.db2.gz	LLDRYWAEHYHNIS-FGTMMUONSA-N	1	0	371.481	1.818	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ccnc(OC)c3)[C@H](C)C2)cn1	ZINC001094174794	959979999	/nfs/dbraw/zinc/97/99/99/959979999.db2.gz	UAILLUKREASOPN-CRAIPNDOSA-N	1	0	364.449	1.964	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cn(CC)nn3)[C@H](C)C2)nc1	ZINC001094174787	959980038	/nfs/dbraw/zinc/98/00/38/959980038.db2.gz	TUFDHMFOILGNHW-GDBMZVCRSA-N	1	0	352.442	1.172	20	30		FDEDRO
Cc1nccn1CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1	ZINC001094221760	960050420	/nfs/dbraw/zinc/05/04/20/960050420.db2.gz	UMVHLOGURQGQOB-DNVCBOLYSA-N	1	0	351.454	1.948	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3ccc(C)nc23)C1	ZINC001197852463	972478535	/nfs/dbraw/zinc/47/85/35/972478535.db2.gz	YQNJPUYZAKQHHW-IAGOWNOFSA-N	1	0	357.458	1.559	20	30		FDEDRO
CCN1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)cc3)[C@H](C)C2)C1	ZINC001094234035	960143294	/nfs/dbraw/zinc/14/32/94/960143294.db2.gz	GVYYINIHLPQBKF-NSISKUIASA-N	1	0	370.497	1.463	20	30		FDEDRO
C=C[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1)c1ccccc1	ZINC001094235999	960147617	/nfs/dbraw/zinc/14/76/17/960147617.db2.gz	KKCGQJQEIRRWBL-DJIMGWMZSA-N	1	0	354.458	1.364	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001094253868	960196626	/nfs/dbraw/zinc/19/66/26/960196626.db2.gz	DHKXGMXGEWMHAF-RHSMWYFYSA-N	1	0	355.417	1.778	20	30		FDEDRO
C#C[C@H](NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1)[C@H]1CCCO1	ZINC000773270883	960218893	/nfs/dbraw/zinc/21/88/93/960218893.db2.gz	AFUWPOHHOSHMHG-RBUKOAKNSA-N	1	0	359.470	1.997	20	30		FDEDRO
C=C(C)CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)nn2)C1	ZINC001094298620	960258378	/nfs/dbraw/zinc/25/83/78/960258378.db2.gz	UNSSYKNWWJXXDK-HZPDHXFCSA-N	1	0	355.446	1.244	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1cn(C2C[NH+](CCC(C)C)C2)nn1	ZINC001094327724	960264075	/nfs/dbraw/zinc/26/40/75/960264075.db2.gz	NFSGIEKVNASVNN-ROUUACIJSA-N	1	0	361.490	1.778	20	30		FDEDRO
C#C[C@H](NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCO1	ZINC000775791434	972492223	/nfs/dbraw/zinc/49/22/23/972492223.db2.gz	MJWQKNDVCBLODY-VQTJNVASSA-N	1	0	355.482	1.669	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@@H]4COCCO4)CCC[C@@H]23)c1	ZINC001094365708	960323068	/nfs/dbraw/zinc/32/30/68/960323068.db2.gz	OQBKAMXXOJWKOC-QKNQBKEWSA-N	1	0	369.465	1.834	20	30		FDEDRO
N#Cc1ccccc1C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3COCCO3)CCC[C@@H]12	ZINC001094368147	960327465	/nfs/dbraw/zinc/32/74/65/960327465.db2.gz	GYZIOUUYMFHMQV-QKNQBKEWSA-N	1	0	369.465	1.834	20	30		FDEDRO
Cn1nccc1C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C#N)c[nH]3)CCC[C@@H]12	ZINC001094387558	960333104	/nfs/dbraw/zinc/33/31/04/960333104.db2.gz	QUHLIFOSCXUPGQ-IEBWSBKVSA-N	1	0	352.442	1.794	20	30		FDEDRO
Cn1cncc1C[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH]c(C#N)c3)CCC[C@@H]12	ZINC001094393791	960340999	/nfs/dbraw/zinc/34/09/99/960340999.db2.gz	WYSUPDFWGPWPOX-IEBWSBKVSA-N	1	0	352.442	1.794	20	30		FDEDRO
N#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)N2CCCC2)CC3)[nH]1	ZINC001094394244	960342906	/nfs/dbraw/zinc/34/29/06/960342906.db2.gz	HVXBYSVDGRYWMK-YLJYHZDGSA-N	1	0	369.469	1.483	20	30		FDEDRO
Cn1nncc1C[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH]c(C#N)c3)CCC[C@@H]12	ZINC001094396913	960346680	/nfs/dbraw/zinc/34/66/80/960346680.db2.gz	BZJQEINYZDJJPG-SJLPKXTDSA-N	1	0	353.430	1.189	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(OCC(N)=O)c3)CCC[C@@H]12	ZINC001094428005	960431226	/nfs/dbraw/zinc/43/12/26/960431226.db2.gz	GBNLXDCYPOCRSS-YLJYHZDGSA-N	1	0	357.454	1.711	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@@]3(CNC(=O)c4cncn4C)CCC[C@@H]23)C1=O	ZINC001094462430	960457401	/nfs/dbraw/zinc/45/74/01/960457401.db2.gz	VMIWRHYWMFLJTN-XAUMDUMWSA-N	1	0	371.485	1.181	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cc(C)no1)CC2	ZINC001094437717	960482392	/nfs/dbraw/zinc/48/23/92/960482392.db2.gz	YOIJHZYTHWAFKB-QKNQBKEWSA-N	1	0	370.497	1.941	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+](C[C@@H](C)CC(C)C)C[C@H]1O	ZINC001197902944	972506716	/nfs/dbraw/zinc/50/67/16/972506716.db2.gz	AIIQMUFVMSSEFW-CGTJXYLNSA-N	1	0	359.470	1.551	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)c4cn[nH]n4)CCC[C@@H]23)c(F)c1	ZINC001094456641	960547342	/nfs/dbraw/zinc/54/73/42/960547342.db2.gz	KXBMREMMZHISMN-IEBWSBKVSA-N	1	0	368.416	1.990	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnn(C)c1)CC2	ZINC001094515684	960708462	/nfs/dbraw/zinc/70/84/62/960708462.db2.gz	JSAKUCNBZNCASB-AJYBTWMASA-N	1	0	358.486	1.872	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)C3CCS(=O)(=O)CC3)CCC[C@@H]12	ZINC001094526875	960726541	/nfs/dbraw/zinc/72/65/41/960726541.db2.gz	CELBOXYMNGGPOW-SJLPKXTDSA-N	1	0	354.516	1.748	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnn4cc(OC)ccc34)CCC[C@@H]12	ZINC001094537283	960761142	/nfs/dbraw/zinc/76/11/42/960761142.db2.gz	VLKNDMCMBSDACF-UYAOXDASSA-N	1	0	352.438	1.951	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2cnn(C)c2)CC3)nc1	ZINC001094559963	960807145	/nfs/dbraw/zinc/80/71/45/960807145.db2.gz	IBPHIRLKKDFZQK-TZIWHRDSSA-N	1	0	363.465	1.971	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2cnnn2C)CC3)cn1	ZINC001094563220	960819471	/nfs/dbraw/zinc/81/94/71/960819471.db2.gz	KBMYDFACPRXDEX-UYAOXDASSA-N	1	0	364.453	1.366	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2ccnn2C)CC3)cn1	ZINC001094563253	960819957	/nfs/dbraw/zinc/81/99/57/960819957.db2.gz	MORGBRXISXHCJX-TZIWHRDSSA-N	1	0	363.465	1.971	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCn2cccn2)C1	ZINC001181499683	960878940	/nfs/dbraw/zinc/87/89/40/960878940.db2.gz	XLMRYOQGOCAYSW-FTEYMNFISA-N	1	0	360.502	1.939	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2cnn(C)c2)C1	ZINC001181525717	960906791	/nfs/dbraw/zinc/90/67/91/960906791.db2.gz	SNDLDGCOVHMKBH-PHXBYCTMSA-N	1	0	360.502	1.976	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cn([C@@H]4CCOC4)nn3)CCC[C@@H]12	ZINC001094556267	960909194	/nfs/dbraw/zinc/90/91/94/960909194.db2.gz	JSMUAVRMISLKHS-SZVBFZGTSA-N	1	0	357.458	1.237	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)[C@@H]2C[C@H]2CCC)CC1	ZINC000954044698	1013219052	/nfs/dbraw/zinc/21/90/52/1013219052.db2.gz	MVSFNMCVOISXHV-QRQLOZEOSA-N	1	0	359.514	1.970	20	30		FDEDRO
COC(=O)C1(Nc2nccc(C#N)n2)CC[NH+](Cc2ccccc2)CC1	ZINC001171503537	961208222	/nfs/dbraw/zinc/20/82/22/961208222.db2.gz	IRJRASFOQMPHHI-UHFFFAOYSA-N	1	0	351.410	1.968	20	30		FDEDRO
CCN1CC[C@@H]([N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC1=O	ZINC001172038726	961433763	/nfs/dbraw/zinc/43/37/63/961433763.db2.gz	DGUVALVMFKNWHI-UTKZUKDTSA-N	1	0	366.465	1.998	20	30		FDEDRO
N#Cc1ccccc1C(=O)N1CCC([NH2+][C@H]2CCN3C(=O)CC[C@H]3C2)CC1	ZINC001172153552	961513881	/nfs/dbraw/zinc/51/38/81/961513881.db2.gz	CVUBSRBBXPDLJL-ROUUACIJSA-N	1	0	366.465	1.906	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3n[nH]c(=S)n3c2)c1C#N	ZINC001182252779	961657768	/nfs/dbraw/zinc/65/77/68/961657768.db2.gz	HVHZEMPVRMMMSB-UHFFFAOYSA-N	1	0	356.415	1.017	20	30		FDEDRO
C[C@H](CCCC#N)[NH2+][C@H]1CCS(=O)(=O)C12CN(C(=O)OC(C)(C)C)C2	ZINC001172479718	961667208	/nfs/dbraw/zinc/66/72/08/961667208.db2.gz	KDTBZZZAZKHZST-KGLIPLIRSA-N	1	0	371.503	1.835	20	30		FDEDRO
C[C@H](CCCC#N)[NH2+]CCN1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC001172488747	961685409	/nfs/dbraw/zinc/68/54/09/961685409.db2.gz	NABBOSBCKFAQPG-QGZVFWFLSA-N	1	0	364.515	1.665	20	30		FDEDRO
C[C@@H](CCCC#N)[N@H+]1CCc2ncc(CNC(=O)c3cnn(C)c3)n2CC1	ZINC001172498492	961688140	/nfs/dbraw/zinc/68/81/40/961688140.db2.gz	LTYFIQBWQVZRIV-HNNXBMFYSA-N	1	0	369.473	1.487	20	30		FDEDRO
C[C@@H](CCCC#N)[N@@H+]1CCCn2nnc(COCC(=O)N3CCCC3)c2C1	ZINC001172495786	961688363	/nfs/dbraw/zinc/68/83/63/961688363.db2.gz	HSMVBCLJEANIDV-INIZCTEOSA-N	1	0	374.489	1.705	20	30		FDEDRO
C=CCN1CCN(C)C2(CC[NH+]([C@H](C)CCC(=O)OC(C)C)CC2)C1=O	ZINC001172757997	961778859	/nfs/dbraw/zinc/77/88/59/961778859.db2.gz	KIPHFBDKVSLRNT-QGZVFWFLSA-N	1	0	365.518	1.901	20	30		FDEDRO
C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)CCc2cccc(C#N)c2)C1	ZINC001182338438	961863110	/nfs/dbraw/zinc/86/31/10/961863110.db2.gz	LPZSVPPFWWBBEJ-SFHVURJKSA-N	1	0	351.454	1.908	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H](NC(=[NH2+])c2ccc(C(N)=O)cc2)C[C@H]1C#N	ZINC001172981699	961865078	/nfs/dbraw/zinc/86/50/78/961865078.db2.gz	NMDVLAAIPMELIP-GJZGRUSLSA-N	1	0	371.441	1.782	20	30		FDEDRO
N#CCC1CCC(NS(=O)(=O)c2ccc(N3CC[NH2+]CC3)cc2)CC1	ZINC001173330471	962006484	/nfs/dbraw/zinc/00/64/84/962006484.db2.gz	AGIMOPSIRTYXEZ-UHFFFAOYSA-N	1	0	362.499	1.847	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([N@@H+]3CCC(=O)N4CCC[C@H]4C3)CC2)cc1	ZINC001173436555	962104020	/nfs/dbraw/zinc/10/40/20/962104020.db2.gz	XGLJKJWUGJSYJZ-IBGZPJMESA-N	1	0	366.465	1.860	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@]4(CCNC4=O)C3)CC2)cc1	ZINC001173431018	962148426	/nfs/dbraw/zinc/14/84/26/962148426.db2.gz	NPQFZYNYCRQQTN-NRFANRHFSA-N	1	0	366.465	1.765	20	30		FDEDRO
CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C1CCN(C(=O)c2ccc(C#N)cc2)CC1	ZINC001173432843	962152981	/nfs/dbraw/zinc/15/29/81/962152981.db2.gz	PRAFPRVCPNSONE-RTBURBONSA-N	1	0	366.465	1.858	20	30		FDEDRO
C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc(S(N)(=O)=O)cc1C#N	ZINC000774523803	962349373	/nfs/dbraw/zinc/34/93/73/962349373.db2.gz	IJEVZXHBNZDZDB-MJBXVCDLSA-N	1	0	350.488	1.984	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N(CC)CC(=C)C)C1	ZINC001182670512	962382330	/nfs/dbraw/zinc/38/23/30/962382330.db2.gz	PHZYKLBOAUBUBR-KURKYZTESA-N	1	0	363.502	1.583	20	30		FDEDRO
N#CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCOC2)C3)cc1	ZINC001095219461	962412751	/nfs/dbraw/zinc/41/27/51/962412751.db2.gz	GRRZEBQQHUQTAV-FPAYPSAMSA-N	1	0	355.438	1.847	20	30		FDEDRO
COc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C3)cc1C#N	ZINC001095241099	962525960	/nfs/dbraw/zinc/52/59/60/962525960.db2.gz	SHXQXOVPCMLCAH-YDZRNGNQSA-N	1	0	368.481	1.883	20	30		FDEDRO
C#CC[NH+](CC#C)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC001173699730	962586922	/nfs/dbraw/zinc/58/69/22/962586922.db2.gz	XHAULMQUVLJJCJ-UHFFFAOYSA-N	1	0	361.423	1.316	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCOCC(C)C)CCCO1	ZINC001150424948	962985843	/nfs/dbraw/zinc/98/58/43/962985843.db2.gz	DYRUXIUKIDICJR-QYZOEREBSA-N	1	0	368.518	1.847	20	30		FDEDRO
COc1nc(C(=NC(=O)[C@H]2C[C@@H]([NH+](C)C)C2)NO)ccc1-n1cnc(C)c1	ZINC001183380204	963024855	/nfs/dbraw/zinc/02/48/55/963024855.db2.gz	YCPWYSRFNTVQFH-BETUJISGSA-N	1	0	372.429	1.177	20	30		FDEDRO
COCC[N@@H+](Cc1cc(=O)n2[n-]cc(C#N)c2n1)CC1CC[NH+](C)CC1	ZINC001175203419	963075297	/nfs/dbraw/zinc/07/52/97/963075297.db2.gz	NGGNRGZOGGLVNZ-UHFFFAOYSA-N	1	0	358.446	1.097	20	30		FDEDRO
C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H](C#N)Cc1ccc(O)cc1	ZINC001183611315	963143578	/nfs/dbraw/zinc/14/35/78/963143578.db2.gz	FMYCVYMRJHNTNA-NZSAHSFTSA-N	1	0	356.470	1.311	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=O)NCC(C)C	ZINC001175364517	963168052	/nfs/dbraw/zinc/16/80/52/963168052.db2.gz	ALXXGUIUCOTPST-ZACQAIPSSA-N	1	0	353.507	1.614	20	30		FDEDRO
CC[N@H+](CCc1ccccn1)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000774662710	963228237	/nfs/dbraw/zinc/22/82/37/963228237.db2.gz	CRCZKDZEDQAPKY-IBGZPJMESA-N	1	0	357.502	1.638	20	30		FDEDRO
Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H]1CCCCN1Cc1ccccc1C#N	ZINC001183838719	963304727	/nfs/dbraw/zinc/30/47/27/963304727.db2.gz	LHNYJNMVLFCODM-GOSISDBHSA-N	1	0	364.453	1.696	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F	ZINC001176512808	963459075	/nfs/dbraw/zinc/45/90/75/963459075.db2.gz	XYOSKQXLVYOUCY-AEGPPILISA-N	1	0	363.408	1.302	20	30		FDEDRO
O=C(C#Cc1ccccn1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001177800619	963973905	/nfs/dbraw/zinc/97/39/05/963973905.db2.gz	CQQITXFTBBMGNR-PMACEKPBSA-N	1	0	362.433	1.330	20	30		FDEDRO
C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1	ZINC001185611417	964005144	/nfs/dbraw/zinc/00/51/44/964005144.db2.gz	KALHLJZGCPVCRW-OALUTQOASA-N	1	0	355.482	1.987	20	30		FDEDRO
N#Cc1ccc(I)c(C(=O)N2CC[N@@H+]3CC[C@H]3C2)c1	ZINC001185795779	964108277	/nfs/dbraw/zinc/10/82/77/964108277.db2.gz	VATSZYLMQONZEX-NSHDSACASA-N	1	0	367.190	1.693	20	30		FDEDRO
C#CCC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@H]3CCO[C@H]3C(=C)C)C2)nn1	ZINC001186019673	964255765	/nfs/dbraw/zinc/25/57/65/964255765.db2.gz	VCSOLSABNMJDLY-QYZOEREBSA-N	1	0	371.485	1.536	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC2CCC2)[C@@H]1C	ZINC001178725675	964362854	/nfs/dbraw/zinc/36/28/54/964362854.db2.gz	PQLXZCUJGSRDPH-RANZSIQMSA-N	1	0	363.502	1.463	20	30		FDEDRO
Cc1ccc([C@@H]2C[C@H]2C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)cc1C	ZINC001186227957	964363484	/nfs/dbraw/zinc/36/34/84/964363484.db2.gz	BIJZQFUCIBVWLL-FGTMMUONSA-N	1	0	354.454	1.237	20	30		FDEDRO
C=C(Br)C[NH2+]CCCCCCNC(=O)[C@H]1OCCO[C@H]1C	ZINC001178725899	964363821	/nfs/dbraw/zinc/36/38/21/964363821.db2.gz	ULIDQDWRXCIERR-KBPBESRZSA-N	1	0	363.296	1.965	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cn2cncn2)C1	ZINC001186212379	964377757	/nfs/dbraw/zinc/37/77/57/964377757.db2.gz	JCIHXQRVGBQUOL-IEBWSBKVSA-N	1	0	369.444	1.662	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)CCN2CCOC2=O)[C@H]2CC[C@H]([NH3+])CC2)cc1	ZINC001178786151	964443718	/nfs/dbraw/zinc/44/37/18/964443718.db2.gz	NUCBKTZPBRVSOU-IYARVYRRSA-N	1	0	370.453	1.999	20	30		FDEDRO
C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC12CCOCC2	ZINC001186409606	964477284	/nfs/dbraw/zinc/47/72/84/964477284.db2.gz	AFVAIECTMFWPME-FGTMMUONSA-N	1	0	365.518	1.126	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@H](C)c2ccc(OC(C)C)c(OC)c2)CC1	ZINC000775016538	964479183	/nfs/dbraw/zinc/47/91/83/964479183.db2.gz	LUFXWVSHOJHGHT-QGZVFWFLSA-N	1	0	373.497	1.910	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2OCC[C@H]2C(C)C)CC12CCOCC2	ZINC001186374532	964483642	/nfs/dbraw/zinc/48/36/42/964483642.db2.gz	ZMUBGLIONGKODJ-QYZOEREBSA-N	1	0	362.514	1.916	20	30		FDEDRO
N#CCSCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]21	ZINC001186917533	964877696	/nfs/dbraw/zinc/87/76/96/964877696.db2.gz	TVXKIAQGNZTOKN-SDDRHHMPSA-N	1	0	351.394	1.089	20	30		FDEDRO
C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)[C@H]1C	ZINC001179525442	964889886	/nfs/dbraw/zinc/88/98/86/964889886.db2.gz	KCQZLEYMEDEQDI-FJIDUMEYSA-N	1	0	363.502	1.702	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2CC(C)C)[C@H]1C	ZINC001179561630	964898974	/nfs/dbraw/zinc/89/89/74/964898974.db2.gz	LVRGOCIPXSWBFI-JJXSEGSLSA-N	1	0	364.490	1.259	20	30		FDEDRO
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)n1c(=N)sc2c1CC[C@H]([NH3+])C2	ZINC001179587610	964918247	/nfs/dbraw/zinc/91/82/47/964918247.db2.gz	HSDZDAGJXMAKRF-QWRGUYRKSA-N	1	0	364.471	1.402	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1ccco1	ZINC001179658274	964936925	/nfs/dbraw/zinc/93/69/25/964936925.db2.gz	PXACNWVDEIXOQN-BRWVUGGUSA-N	1	0	359.470	1.787	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCCCC[NH2+][C@@H](C)C(=O)N(C)C	ZINC001179797317	964993089	/nfs/dbraw/zinc/99/30/89/964993089.db2.gz	WHCVLNARWAJXJH-ULQDDVLXSA-N	1	0	353.507	1.711	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2	ZINC001179894114	965018927	/nfs/dbraw/zinc/01/89/27/965018927.db2.gz	DNODKLFKPAUKSU-CQSZACIVSA-N	1	0	350.426	1.526	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1CC[C@H]2CN(Cc3snnc3C)C[C@H]21	ZINC001187225392	965100666	/nfs/dbraw/zinc/10/06/66/965100666.db2.gz	FAYPZSQQICDFCT-QLFBSQMISA-N	1	0	350.488	1.860	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@H+](CCOC[C@H]4CCCO4)C[C@H]32)c1	ZINC001187465251	965378561	/nfs/dbraw/zinc/37/85/61/965378561.db2.gz	DBUMISBMTDFEIY-LZLYRXPVSA-N	1	0	358.442	1.228	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)NC(C)C)C[C@H]21	ZINC001187472854	965385899	/nfs/dbraw/zinc/38/58/99/965385899.db2.gz	QGUMYIBTIOEJKL-DLBZAZTESA-N	1	0	366.506	1.210	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H](CC)c3ccccc3)C[C@H]21	ZINC001187597749	965517187	/nfs/dbraw/zinc/51/71/87/965517187.db2.gz	BZVXVJJQHVQRBF-GBESFXJTSA-N	1	0	353.466	1.810	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H](CC#N)C(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1	ZINC001180785307	965554196	/nfs/dbraw/zinc/55/41/96/965554196.db2.gz	ZNBNVMSFTOAQKP-YDHLFZDLSA-N	1	0	366.462	1.291	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)/C=C/c3ccc[nH]3)[C@@H]2C1	ZINC001187653628	965628921	/nfs/dbraw/zinc/62/89/21/965628921.db2.gz	KAJKFGWSSIDWEU-SUVIQUNHSA-N	1	0	370.497	1.985	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3ncc[nH]3)[C@@H]2C1	ZINC001187706140	965651053	/nfs/dbraw/zinc/65/10/53/965651053.db2.gz	DUWJSXTUUKLRQI-DLBZAZTESA-N	1	0	371.485	1.076	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@H]2C[N@@H+](CCCNC(=O)C(F)(F)F)C[C@H]21	ZINC001187736299	965692789	/nfs/dbraw/zinc/69/27/89/965692789.db2.gz	CNZOBBIIWNODDT-UONOGXRCSA-N	1	0	359.392	1.391	20	30		FDEDRO
C[C@@H](NC(=O)CN1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1)c1ccco1	ZINC001187819702	965760248	/nfs/dbraw/zinc/76/02/48/965760248.db2.gz	IKMYJQMXBPKSOE-HYVNUMGLSA-N	1	0	355.438	1.403	20	30		FDEDRO
CC(C)C#CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(c4ccccc4)C3=O)C[C@H]21	ZINC001187848955	965789155	/nfs/dbraw/zinc/78/91/55/965789155.db2.gz	GHILWGDKGFIUNY-DFQSSKMNSA-N	1	0	365.477	1.984	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)NC(C)(C)CC)C[C@H]21	ZINC001187857676	965797921	/nfs/dbraw/zinc/79/79/21/965797921.db2.gz	PEDJOWSCCRQCFJ-IXDOHACOSA-N	1	0	363.502	1.252	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1	ZINC001187833865	965829986	/nfs/dbraw/zinc/82/99/86/965829986.db2.gz	WHPIAZRUYYUEJK-NZSAHSFTSA-N	1	0	357.498	1.746	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@H+](Cc3cccc4nsnc43)C[C@H]21	ZINC001187873687	965869284	/nfs/dbraw/zinc/86/92/84/965869284.db2.gz	CNQJVBIFLUCSFZ-WMLDXEAASA-N	1	0	370.478	1.764	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)NC(=O)COC)[C@@H]2C1	ZINC001187996666	965951212	/nfs/dbraw/zinc/95/12/12/965951212.db2.gz	JAKCDUMMEKQXOI-YESZJQIVSA-N	1	0	353.507	1.641	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN(C(=O)CC)C3)[C@@H]2C1	ZINC001187998856	965953337	/nfs/dbraw/zinc/95/33/37/965953337.db2.gz	XSFGGJWTWOSHIC-RCCFBDPRSA-N	1	0	363.502	1.370	20	30		FDEDRO
C=C(C)CCC(=O)N1CC[C@H]2C[N@H+](CCN3C(=O)NC(C)(C)C3=O)C[C@H]21	ZINC001188087696	965999925	/nfs/dbraw/zinc/99/99/25/965999925.db2.gz	XIOVOHRZQMEUCF-LSDHHAIUSA-N	1	0	362.474	1.206	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CS(=O)(=O)CC(C)C)[C@@H]2C1	ZINC001188363688	966236534	/nfs/dbraw/zinc/23/65/34/966236534.db2.gz	YRSHJMPDEUOBSV-YESZJQIVSA-N	1	0	356.532	1.945	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1	ZINC001188456893	966331167	/nfs/dbraw/zinc/33/11/67/966331167.db2.gz	YHGTXKRXFFRZJA-QILLFSRXSA-N	1	0	367.453	1.171	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(CNC(C)=O)cc3)[C@@H]2C1	ZINC001188470781	966342404	/nfs/dbraw/zinc/34/24/04/966342404.db2.gz	WSBPJBJGQRNJNX-VQTJNVASSA-N	1	0	371.481	1.672	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC000964506908	1013656454	/nfs/dbraw/zinc/65/64/54/1013656454.db2.gz	SMEUUZNPVVUXRR-KBRIMQKVSA-N	1	0	357.458	1.337	20	30		FDEDRO
C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cc4cc(F)ccc4[nH]3)[C@@H]2C1	ZINC001188731369	966542058	/nfs/dbraw/zinc/54/20/58/966542058.db2.gz	MHXDZQZHPTWQJX-SCLBCKFNSA-N	1	0	368.412	1.203	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3nc4ccccn4c3=O)[C@@H]2C1	ZINC001188738523	966547054	/nfs/dbraw/zinc/54/70/54/966547054.db2.gz	IFEIAHOAYXZWNW-IXDOHACOSA-N	1	0	369.469	1.383	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cnn4c3nc(C)cc4C)[C@@H]2C1	ZINC001188739534	966549480	/nfs/dbraw/zinc/54/94/80/966549480.db2.gz	TWYCKOMAVQDNCQ-FUHWJXTLSA-N	1	0	369.469	1.695	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN([C@@H](C)C(=O)NCC=C)C[C@H]32)cc1	ZINC001188744254	966552686	/nfs/dbraw/zinc/55/26/86/966552686.db2.gz	LNPOQXIGACGMHB-ZYSHUDEJSA-N	1	0	351.450	1.505	20	30		FDEDRO
C[C@H](CC(N)=O)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21	ZINC001188793232	966556317	/nfs/dbraw/zinc/55/63/17/966556317.db2.gz	GQFUTHMZIVVHSW-UWWQBHOKSA-N	1	0	370.453	1.133	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(=O)n4nccc4[nH]3)C[C@H]21	ZINC001188884429	966615064	/nfs/dbraw/zinc/61/50/64/966615064.db2.gz	IVWCSJFZFCHQFB-YQQAZPJKSA-N	1	0	369.469	1.658	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@H+](Cc3cc(=O)n4nccc4[nH]3)C[C@H]21	ZINC001188909110	966649172	/nfs/dbraw/zinc/64/91/72/966649172.db2.gz	NJFRKJQQDGPNOA-YQQAZPJKSA-N	1	0	369.469	1.658	20	30		FDEDRO
C=CCCCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)COC3CCOCC3)C[C@H]21	ZINC001189007508	966698060	/nfs/dbraw/zinc/69/80/60/966698060.db2.gz	WSWIUUIWCQSSGB-JENIJYKNSA-N	1	0	366.502	1.432	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN2C[C@@H]3CCN(C(=O)CC[NH+](C)C)[C@@H]3C2)c1	ZINC001189054328	966721521	/nfs/dbraw/zinc/72/15/21/966721521.db2.gz	CYMMOKYKGGWUFD-PKOBYXMFSA-N	1	0	368.481	1.091	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3cc(C)on3)[C@@H]2C1	ZINC001189095842	966769207	/nfs/dbraw/zinc/76/92/07/966769207.db2.gz	ZJOJVORKRNZPBA-YQQAZPJKSA-N	1	0	360.458	1.139	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)OCc3ccncc3)[C@@H]2C1	ZINC001189182491	966809913	/nfs/dbraw/zinc/80/99/13/966809913.db2.gz	WQIWGUHAZFTVQD-YTQUADARSA-N	1	0	359.470	1.722	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)COc3cccc(OC)c3)[C@@H]2C1	ZINC001189187331	966810532	/nfs/dbraw/zinc/81/05/32/966810532.db2.gz	DGRLOBSXLNPWDN-QFBILLFUSA-N	1	0	360.454	1.809	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C3CCS(=O)(=O)CC3)[C@@H]2C1	ZINC001189284258	966871741	/nfs/dbraw/zinc/87/17/41/966871741.db2.gz	XIOAXLHKPFQYGJ-HYVNUMGLSA-N	1	0	354.516	1.699	20	30		FDEDRO
COCCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001189302457	966879844	/nfs/dbraw/zinc/87/98/44/966879844.db2.gz	DFDNLPAKDYSZOU-ZYSHUDEJSA-N	1	0	357.454	1.642	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CC[C@H]3C[N@@H+](CCCCCOC)C[C@H]32)nn1	ZINC001189382637	966931393	/nfs/dbraw/zinc/93/13/93/966931393.db2.gz	NKWPIUHHTUFQOJ-FUHWJXTLSA-N	1	0	361.490	1.817	20	30		FDEDRO
COCC#CCN1C[C@@H]2CCN(C(=O)c3ccnc(C4CCCC4)n3)[C@@H]2C1	ZINC001189597714	967067476	/nfs/dbraw/zinc/06/74/76/967067476.db2.gz	MPKCAJKXHILONT-PKOBYXMFSA-N	1	0	368.481	1.930	20	30		FDEDRO
C#CCC[NH+]1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1	ZINC000776592124	967260102	/nfs/dbraw/zinc/26/01/02/967260102.db2.gz	AYRPEEBVTBPUNP-UHFFFAOYSA-N	1	0	358.398	1.534	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cnn4ccc(C)nc34)[C@@H]2C1	ZINC001189820137	967280558	/nfs/dbraw/zinc/28/05/58/967280558.db2.gz	RIWZRAWHUULFFO-DOTOQJQBSA-N	1	0	355.442	1.387	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)n1	ZINC000852637654	967488887	/nfs/dbraw/zinc/48/88/87/967488887.db2.gz	DYFNSNLZIZOFRX-SFHVURJKSA-N	1	0	359.474	1.301	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cnnn4)cc3)[C@@H]2C1	ZINC001190059433	967522969	/nfs/dbraw/zinc/52/29/69/967522969.db2.gz	SJCWXKQRFWKUEU-FUHWJXTLSA-N	1	0	352.442	1.775	20	30		FDEDRO
C#CCCN(CCOC)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000852751524	967577993	/nfs/dbraw/zinc/57/79/93/967577993.db2.gz	GSSWBQFUSVCMPS-UHFFFAOYSA-N	1	0	365.518	1.109	20	30		FDEDRO
C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3scnc3Cl)[C@@H]2C1	ZINC001190186340	967600303	/nfs/dbraw/zinc/60/03/03/967600303.db2.gz	YUIZJTQGRCKBQX-WDEREUQCSA-N	1	0	354.863	1.245	20	30		FDEDRO
CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)C#CC1CC[NH2+]CC1	ZINC000852802921	967619259	/nfs/dbraw/zinc/61/92/59/967619259.db2.gz	WIKLKYXFETXNCX-UHFFFAOYSA-N	1	0	371.437	1.248	20	30		FDEDRO
CCOc1ccccc1C(=O)N1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1	ZINC000852810139	967623289	/nfs/dbraw/zinc/62/32/89/967623289.db2.gz	BSSIGWBXKMIVCK-UHFFFAOYSA-N	1	0	369.465	1.373	20	30		FDEDRO
C[C@H]1CN(Cc2csc(NC(=O)C#CC3CC[NH2+]CC3)n2)C[C@H](C)O1	ZINC000852857457	967661822	/nfs/dbraw/zinc/66/18/22/967661822.db2.gz	TWZSMDNXGJWYRV-KBPBESRZSA-N	1	0	362.499	1.694	20	30		FDEDRO
CC[C@H](NC(=O)C#CC1CC[NH2+]CC1)[C@H]1CN(Cc2ccccc2)CCO1	ZINC000852871880	967677888	/nfs/dbraw/zinc/67/78/88/967677888.db2.gz	DECFWWUSYFOSSS-LEWJYISDSA-N	1	0	369.509	1.785	20	30		FDEDRO
N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cnn(-c2ccccc2)c1Br	ZINC000852875868	967681417	/nfs/dbraw/zinc/68/14/17/967681417.db2.gz	RYAZZMGKJXAKHC-ZWNOBZJWSA-N	1	0	360.215	1.476	20	30		FDEDRO
Cc1nc(NC(=O)C#CC2CC[NH2+]CC2)ccc1I	ZINC000852881481	967686357	/nfs/dbraw/zinc/68/63/57/967686357.db2.gz	LJTPKPKODAVXGR-UHFFFAOYSA-N	1	0	369.206	1.936	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](Cc3ccccc3)OC)[C@@H]2C1	ZINC001190240713	967688325	/nfs/dbraw/zinc/68/83/25/967688325.db2.gz	NNZFGNJNZVEVPQ-ZCNNSNEGSA-N	1	0	358.482	1.979	20	30		FDEDRO
COc1cccc(OCCN2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)c1	ZINC000852885590	967688481	/nfs/dbraw/zinc/68/84/81/967688481.db2.gz	ASQMDLJCIOJAOT-UHFFFAOYSA-N	1	0	371.481	1.221	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1	ZINC000852887454	967690306	/nfs/dbraw/zinc/69/03/06/967690306.db2.gz	AFJYRIBVVOFNFS-QGZVFWFLSA-N	1	0	367.428	1.518	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O	ZINC000852890136	967692932	/nfs/dbraw/zinc/69/29/32/967692932.db2.gz	ROTBOYIPOFGIMK-MRXNPFEDSA-N	1	0	363.820	1.704	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3Cc4cccc(F)c4O3)[C@@H]2C1	ZINC001190263127	967701689	/nfs/dbraw/zinc/70/16/89/967701689.db2.gz	KRSOWBAFECMACU-JQHSSLGASA-N	1	0	360.429	1.865	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC#Cc3ccccc3)[C@@H]2C1	ZINC001190289666	967740734	/nfs/dbraw/zinc/74/07/34/967740734.db2.gz	HNRWXFXBONZAGJ-YSIASYRMSA-N	1	0	365.477	1.652	20	30		FDEDRO
N#Cc1cccc(N2CCOC[C@@]3(CCC[N@H+](C[C@H]4CCOC4)C3)C2)n1	ZINC001202487599	967809921	/nfs/dbraw/zinc/80/99/21/967809921.db2.gz	LYNUXPADZSIYIN-YLJYHZDGSA-N	1	0	356.470	1.909	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[N@H+]1C(C)C)C2	ZINC001110660388	967820913	/nfs/dbraw/zinc/82/09/13/967820913.db2.gz	CKVCBFGYCZLBLX-TVFCKZIOSA-N	1	0	362.518	1.273	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2	ZINC001110661235	967836708	/nfs/dbraw/zinc/83/67/08/967836708.db2.gz	NWXMCIAIKJWZJE-YSTOQKLRSA-N	1	0	359.514	1.765	20	30		FDEDRO
COCCOCCC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001190430868	967844513	/nfs/dbraw/zinc/84/45/13/967844513.db2.gz	OXESGGCGOGNAHA-RBUKOAKNSA-N	1	0	357.454	1.644	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]2C[N@H+](CCOC[C@H]3CCCCO3)C[C@H]21	ZINC001190441230	967852674	/nfs/dbraw/zinc/85/26/74/967852674.db2.gz	QMLFDMLGNPHEFZ-IPMKNSEASA-N	1	0	366.502	1.698	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc4nonc4c3)C[C@H]21	ZINC001190449749	967876600	/nfs/dbraw/zinc/87/66/00/967876600.db2.gz	DLBDSAKUOHLWLF-QIIPPGSGSA-N	1	0	356.426	1.847	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](CCCCCn3cncn3)C[C@H]21	ZINC001190458800	967885540	/nfs/dbraw/zinc/88/55/40/967885540.db2.gz	NJZMHRJFABIEDH-OKZBNKHCSA-N	1	0	361.490	1.572	20	30		FDEDRO
C#CC[C@H](CC(=O)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21)c1ccccc1	ZINC001190501714	967904716	/nfs/dbraw/zinc/90/47/16/967904716.db2.gz	WLXZRYVJMONJGV-QHAWAJNXSA-N	1	0	370.493	1.725	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)CCCC(N)=O)[C@@H]2C1	ZINC001190508677	967908847	/nfs/dbraw/zinc/90/88/47/967908847.db2.gz	TWRNGVPVFRLODT-DOTOQJQBSA-N	1	0	370.453	1.255	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N2CC[NH+](C3CCCCC3)CC2)nc1	ZINC001190600555	967976319	/nfs/dbraw/zinc/97/63/19/967976319.db2.gz	UJVBIAACVWISQV-UHFFFAOYSA-N	1	0	355.442	1.160	20	30		FDEDRO
C#CCCCOc1cccnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000853448137	968018808	/nfs/dbraw/zinc/01/88/08/968018808.db2.gz	DYEAQTLGAPXSSF-QGZVFWFLSA-N	1	0	356.470	1.617	20	30		FDEDRO
N#Cc1ccccc1CN1C(=O)CN(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)C1=O	ZINC000853588075	968151204	/nfs/dbraw/zinc/15/12/04/968151204.db2.gz	PLGBDSRFEJXJJF-IAGOWNOFSA-N	1	0	354.410	1.248	20	30		FDEDRO
Cc1cc(CO[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)nc(C)n1	ZINC000853673156	968240387	/nfs/dbraw/zinc/24/03/87/968240387.db2.gz	QZMBEIDJALZGQM-UHFFFAOYSA-N	1	0	355.442	1.892	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1	ZINC000853988694	968502439	/nfs/dbraw/zinc/50/24/39/968502439.db2.gz	BODXCMBMTVGAQB-SOUVJXGZSA-N	1	0	365.478	1.529	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1	ZINC000853995427	968510573	/nfs/dbraw/zinc/51/05/73/968510573.db2.gz	MOBJDPPBLVICMI-KRWDZBQOSA-N	1	0	369.465	1.875	20	30		FDEDRO
CC(=O)CCc1ccc(OC[C@@H](O)C[NH2+]C2CCN(CC#N)CC2)cc1	ZINC000644550552	1013806952	/nfs/dbraw/zinc/80/69/52/1013806952.db2.gz	KMIWZIPJRNWALT-IBGZPJMESA-N	1	0	359.470	1.525	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1	ZINC000854091477	968586614	/nfs/dbraw/zinc/58/66/14/968586614.db2.gz	BHCSKSWVGKZYCU-SFHVURJKSA-N	1	0	352.479	1.640	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@H]1O	ZINC001191598905	968651656	/nfs/dbraw/zinc/65/16/56/968651656.db2.gz	RIZPUZPDBJEDPB-ATZDWAIDSA-N	1	0	369.465	1.877	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H](CNc2nccnc2C#N)C2CCCC2)CC[N@@H+]1C	ZINC001110683727	968834059	/nfs/dbraw/zinc/83/40/59/968834059.db2.gz	LABMXBSCGZYCCL-UNEWFSDZSA-N	1	0	356.474	1.775	20	30		FDEDRO
C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)c2c(F)cc(C#N)cc2F)C1	ZINC001191918556	968850753	/nfs/dbraw/zinc/85/07/53/968850753.db2.gz	KTRQKCHXRGOBNA-CYBMUJFWSA-N	1	0	359.380	1.867	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CC/C=C/c3ccccc3)C[C@H]2O)c1	ZINC001192037097	968918998	/nfs/dbraw/zinc/91/89/98/968918998.db2.gz	GPOXURPYOUHMDD-KDBJMCLYSA-N	1	0	350.422	1.765	20	30		FDEDRO
CC[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)CCNC1=O	ZINC001110686140	968921694	/nfs/dbraw/zinc/92/16/94/968921694.db2.gz	NDSYZNJUGJGSLS-DCXXXQMHSA-N	1	0	366.465	1.696	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1O	ZINC001192503808	969145191	/nfs/dbraw/zinc/14/51/91/969145191.db2.gz	MYODOCLQMXOJTC-RTBURBONSA-N	1	0	352.438	1.337	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)o1	ZINC001192677048	969226935	/nfs/dbraw/zinc/22/69/35/969226935.db2.gz	XYQUCYPJXYJTLY-WBVHZDCISA-N	1	0	352.394	1.662	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](N(C)CC(=O)NC2CCCC2)C1	ZINC001192794715	969301568	/nfs/dbraw/zinc/30/15/68/969301568.db2.gz	NZBNMSKIJKHNQR-AOIWGVFYSA-N	1	0	363.502	1.559	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOC[C@H]2CCCO2)[nH]1	ZINC001110450225	969303864	/nfs/dbraw/zinc/30/38/64/969303864.db2.gz	YCSPOIPCSMCHMO-AHCXZYCDSA-N	1	0	358.442	1.417	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C3CCC3)cc2)C[C@H]1O	ZINC001192891312	969351219	/nfs/dbraw/zinc/35/12/19/969351219.db2.gz	KFZDHMZLMIGDKM-CWFSZBLJSA-N	1	0	356.466	1.654	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@H](c2ccccc2)C(C)(C)C(=O)OC)CC1	ZINC000775552605	969363433	/nfs/dbraw/zinc/36/34/33/969363433.db2.gz	IXBXQACANPWSTN-LJQANCHMSA-N	1	0	371.481	1.294	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)N2CCCCC2=O)C1	ZINC001192944919	969369728	/nfs/dbraw/zinc/36/97/28/969369728.db2.gz	VJPIZXFZPGZFRL-RCCFBDPRSA-N	1	0	367.534	1.909	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1O	ZINC001192924780	969382001	/nfs/dbraw/zinc/38/20/01/969382001.db2.gz	NQPXMWXZJFGOFF-RCCFBDPRSA-N	1	0	354.491	1.337	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@H+](C[C@H](OCC)C2CC2)C[C@H]1O	ZINC001192925243	969383345	/nfs/dbraw/zinc/38/33/45/969383345.db2.gz	YFALAAHSMZNXAD-QRVBRYPASA-N	1	0	368.518	1.726	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCOc2ccccc2)C[C@H]1O	ZINC001193069002	969448294	/nfs/dbraw/zinc/44/82/94/969448294.db2.gz	XOIWJLIZWFKKIG-WTGUMLROSA-N	1	0	374.481	1.598	20	30		FDEDRO
COc1cc(NS(=O)(=O)[C@H](C)C#N)ccc1OCC[NH+]1CCCC1	ZINC001193160296	969520407	/nfs/dbraw/zinc/52/04/07/969520407.db2.gz	BQCATZNHIXFMMK-CYBMUJFWSA-N	1	0	353.444	1.824	20	30		FDEDRO
COc1ccc(C#N)c(S(=O)(=O)NC2CC[NH+](CC(C)C)CC2)c1	ZINC001193705694	969832392	/nfs/dbraw/zinc/83/23/92/969832392.db2.gz	JTOYWFNDUZBWSF-UHFFFAOYSA-N	1	0	351.472	1.966	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c(cn2)OCCO3)C1	ZINC001193842776	969867927	/nfs/dbraw/zinc/86/79/27/969867927.db2.gz	JXZMRXKVEAKTDX-HZPDHXFCSA-N	1	0	361.442	1.374	20	30		FDEDRO
CCCCCCCCOCC(=O)N[C@@H]1C[N@H+](CCCOCC)C[C@H]1O	ZINC001193827612	969884543	/nfs/dbraw/zinc/88/45/43/969884543.db2.gz	DBSZBIHKPKWHIY-QZTJIDSGSA-N	1	0	358.523	1.951	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)c2ccsc2)C1	ZINC001193934467	969906993	/nfs/dbraw/zinc/90/69/93/969906993.db2.gz	BNHWXZCWEJMSGF-FVQBIDKESA-N	1	0	365.499	1.384	20	30		FDEDRO
C=C[C@H]1C[C@]1(NC(=O)c1cncc(N2CC[NH+](C)CC2)c1)C(=O)OCC	ZINC001193951088	969953194	/nfs/dbraw/zinc/95/31/94/969953194.db2.gz	BSKJFGWBTUHWRC-HNAYVOBHSA-N	1	0	358.442	1.071	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCC(C(N)=O)CC2)C1	ZINC001194321344	970103784	/nfs/dbraw/zinc/10/37/84/970103784.db2.gz	SQBFTYDGJCUEFN-BHUNQDJPSA-N	1	0	351.491	1.186	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)N(C)C(=O)C3)C1	ZINC001194437496	970192670	/nfs/dbraw/zinc/19/26/70/970192670.db2.gz	ZFEWBHHZHNTJTJ-IEBWSBKVSA-N	1	0	371.481	1.727	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)C(C)(C)CO3)C1	ZINC001194611090	970251841	/nfs/dbraw/zinc/25/18/41/970251841.db2.gz	KOAOHGFWGNXGDP-IAGOWNOFSA-N	1	0	360.454	1.334	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncc3cc(C)cnc32)C1	ZINC001194737433	970344352	/nfs/dbraw/zinc/34/43/52/970344352.db2.gz	QGEAONCBRZVUPP-DJIMGWMZSA-N	1	0	357.458	1.256	20	30		FDEDRO
O=C(c1ccc(C#CBr)cc1)N(c1ncccn1)C1C[NH2+]C1	ZINC001194806258	970429987	/nfs/dbraw/zinc/42/99/87/970429987.db2.gz	LXJNYDCBFPPWOJ-UHFFFAOYSA-N	1	0	357.211	1.799	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(CF)cc1	ZINC001110462132	970431432	/nfs/dbraw/zinc/43/14/32/970431432.db2.gz	YTGDVMKFFQUQFI-KURKYZTESA-N	1	0	357.429	1.517	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](CCc2ccc(C)cc2)C[C@H]1O	ZINC001195020063	970647328	/nfs/dbraw/zinc/64/73/28/970647328.db2.gz	DXYNRKUCVQSOOJ-SFHLNBCPSA-N	1	0	360.498	1.928	20	30		FDEDRO
C#Cc1cccc(NC(=O)NC(=O)CN2CCCc3c(cnn3C)C2)c1	ZINC001195114955	970699697	/nfs/dbraw/zinc/69/96/97/970699697.db2.gz	UXPXSZGCIOPIHJ-UHFFFAOYSA-N	1	0	351.410	1.498	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2-n2cccc2)C1	ZINC001195172264	970749465	/nfs/dbraw/zinc/74/94/65/970749465.db2.gz	KIXPHBNDASQGKK-DJIMGWMZSA-N	1	0	357.458	1.340	20	30		FDEDRO
COC(=O)CCC[NH+]1CCC(=NNC[C@@H]2COc3ccccc3O2)CC1	ZINC000863201475	972701137	/nfs/dbraw/zinc/70/11/37/972701137.db2.gz	YFOPFJUHPZDWRF-MRXNPFEDSA-N	1	0	361.442	1.821	20	30		FDEDRO
C=C(C)C(=O)OCCNC(=O)c1ccc(CN(C)CCC[NH+](C)C)cc1	ZINC001198030045	972708031	/nfs/dbraw/zinc/70/80/31/972708031.db2.gz	GHUXEKVPYYFOBV-UHFFFAOYSA-N	1	0	361.486	1.919	20	30		FDEDRO
CCCCCCCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1O	ZINC001198088087	972741869	/nfs/dbraw/zinc/74/18/69/972741869.db2.gz	XRJASTJUTHTIQS-BRWVUGGUSA-N	1	0	363.506	1.677	20	30		FDEDRO
CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1	ZINC000863551836	973008887	/nfs/dbraw/zinc/00/88/87/973008887.db2.gz	MUJZMBNIKPQVQO-AWEZNQCLSA-N	1	0	355.479	1.951	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1	ZINC000863552086	973009367	/nfs/dbraw/zinc/00/93/67/973009367.db2.gz	VNQRXEPQXPLDNO-FQEVSTJZSA-N	1	0	367.449	1.924	20	30		FDEDRO
CC(C)OC(=O)N1CCC([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CC1	ZINC000863552773	973010102	/nfs/dbraw/zinc/01/01/02/973010102.db2.gz	PPGZSOXGYCBASP-INIZCTEOSA-N	1	0	353.463	1.657	20	30		FDEDRO
C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]C[C@@H](O)CC1(C#N)CCOCC1	ZINC000863558181	973015272	/nfs/dbraw/zinc/01/52/72/973015272.db2.gz	XUTYRXUVMBFBRK-ZNMIVQPWSA-N	1	0	355.479	1.949	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H](O)COc1cccc(F)c1	ZINC000863559485	973017135	/nfs/dbraw/zinc/01/71/35/973017135.db2.gz	OOZVOMWWFVWXTL-IRXDYDNUSA-N	1	0	360.385	1.467	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000645163510	1014089827	/nfs/dbraw/zinc/08/98/27/1014089827.db2.gz	CPOOQHRDRWAXOC-FQEVSTJZSA-N	1	0	372.513	1.268	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(NC(N)=O)c2)C1	ZINC001198507731	973233877	/nfs/dbraw/zinc/23/38/77/973233877.db2.gz	KJQQRYHEIKCAKH-IAGOWNOFSA-N	1	0	362.474	1.923	20	30		FDEDRO
O=C(C#Cc1ccc2c(c1)OCO2)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1	ZINC000794568000	973272899	/nfs/dbraw/zinc/27/28/99/973272899.db2.gz	ODXTVLWNKZNFPM-SFHVURJKSA-N	1	0	364.401	1.972	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3n[nH]c(C)c3c2)C1	ZINC001198671077	973395130	/nfs/dbraw/zinc/39/51/30/973395130.db2.gz	BUBLICUDMMIZDN-IAGOWNOFSA-N	1	0	357.458	1.788	20	30		FDEDRO
C#CCC[NH2+][C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)c1ccccc1OC	ZINC001198805829	973549103	/nfs/dbraw/zinc/54/91/03/973549103.db2.gz	KNFSYXZZLCJZLG-JSFADZTLSA-N	1	0	372.465	1.517	20	30		FDEDRO
COc1ccccc1[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)NCC(=O)NCC#N	ZINC001198932945	973703209	/nfs/dbraw/zinc/70/32/09/973703209.db2.gz	VMEVKENWPNYVJM-BBWFWOEESA-N	1	0	370.453	1.128	20	30		FDEDRO
C=C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1O)c1ccccc1	ZINC001198956330	973742156	/nfs/dbraw/zinc/74/21/56/973742156.db2.gz	URPKEACMIMTMNJ-GUDVDZBRSA-N	1	0	371.481	1.130	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C(=O)C(C)C)C1	ZINC001198998679	973826655	/nfs/dbraw/zinc/82/66/55/973826655.db2.gz	YLPOZMPZJNTPOH-IXDOHACOSA-N	1	0	351.491	1.151	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000645253144	1014143009	/nfs/dbraw/zinc/14/30/09/1014143009.db2.gz	WQGMZJSOXGFNKS-RBUKOAKNSA-N	1	0	358.486	1.049	20	30		FDEDRO
CCO[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@@H]1CCOC1	ZINC000864910131	973940319	/nfs/dbraw/zinc/94/03/19/973940319.db2.gz	GRNKHNPLEULUCD-MOPGFXCFSA-N	1	0	359.470	1.890	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)/C=C/CN1CCOCC1	ZINC000865040667	974034611	/nfs/dbraw/zinc/03/46/11/974034611.db2.gz	VVRGACDFJMRZST-QPJJXVBHSA-N	1	0	356.470	1.337	20	30		FDEDRO
C[N@H+](CCN1CCN(C(=O)[C@]2(C#N)CCCOC2)CC1)Cc1ccccc1	ZINC000865171848	974157304	/nfs/dbraw/zinc/15/73/04/974157304.db2.gz	PTCKMMYYFKNBIN-NRFANRHFSA-N	1	0	370.497	1.583	20	30		FDEDRO
C#CC[C@H](CC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O)c1ccccc1	ZINC001199505772	974326539	/nfs/dbraw/zinc/32/65/39/974326539.db2.gz	JWLOKCICKBVWNK-NJDAHSKKSA-N	1	0	370.493	1.772	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)Cc2cccc(Cl)c2)C1	ZINC001199531932	974354874	/nfs/dbraw/zinc/35/48/74/974354874.db2.gz	OMEJRSWQFDPVTA-ZTFGCOKTSA-N	1	0	366.889	1.883	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COc1ccccc1F	ZINC001110539470	974411506	/nfs/dbraw/zinc/41/15/06/974411506.db2.gz	UVBJGLGIBZWKHR-RWQQGDIJSA-N	1	0	374.456	1.946	20	30		FDEDRO
N#Cc1cnc(C(=O)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cn1	ZINC001199664396	974449979	/nfs/dbraw/zinc/44/99/79/974449979.db2.gz	DPYZEAYGCSAAHE-RDJZCZTQSA-N	1	0	367.384	1.465	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H]1COc2ccccc2O1	ZINC001110540508	974462098	/nfs/dbraw/zinc/46/20/98/974462098.db2.gz	VYFQZUYPQWPLBM-TVFCKZIOSA-N	1	0	352.434	1.961	20	30		FDEDRO
CCOC(=O)[C@@H](C)NC(=S)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC001199863253	974545061	/nfs/dbraw/zinc/54/50/61/974545061.db2.gz	VMTCBDOWRASNQC-CQSZACIVSA-N	1	0	374.510	1.938	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc2c(c1)nnn2C	ZINC001110546131	974636280	/nfs/dbraw/zinc/63/62/80/974636280.db2.gz	NLAQQAVHUWDTNF-PSLQGDIJSA-N	1	0	367.453	1.228	20	30		FDEDRO
COC(=O)c1ccc(C(=NC(=S)NCC[NH+]2CCCCC2)NO)cc1	ZINC001200437147	974765825	/nfs/dbraw/zinc/76/58/25/974765825.db2.gz	DTKOXTNNRAMCCP-UHFFFAOYSA-N	1	0	364.471	1.559	20	30		FDEDRO
CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccncc2)CCCO1	ZINC001200527854	974806556	/nfs/dbraw/zinc/80/65/56/974806556.db2.gz	BDUUEJLSZRKKJL-OTWHNJEPSA-N	1	0	357.454	1.390	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCn2cccn2)C1	ZINC001200528458	974807906	/nfs/dbraw/zinc/80/79/06/974807906.db2.gz	LGIOGTUQUHHCNS-KURKYZTESA-N	1	0	362.474	1.071	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCOCC2CC2)C1	ZINC001200529095	974808912	/nfs/dbraw/zinc/80/89/12/974808912.db2.gz	QTROCZONSKVLPN-QRVBRYPASA-N	1	0	366.502	1.601	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)C(=O)NCC(C)C)CC1	ZINC001200635733	974851485	/nfs/dbraw/zinc/85/14/85/974851485.db2.gz	CEIKUROVYCJMAN-JQHSSLGASA-N	1	0	365.518	1.709	20	30		FDEDRO
N#CCCn1ccc(NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)n1	ZINC001200749545	974897408	/nfs/dbraw/zinc/89/74/08/974897408.db2.gz	SADCOLDGKHUWHY-UHFFFAOYSA-N	1	0	373.461	1.134	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO	ZINC001110559490	974945520	/nfs/dbraw/zinc/94/55/20/974945520.db2.gz	AHYGMXLHANOGTF-KURKYZTESA-N	1	0	354.491	1.480	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn([C@@H]3CCOC3)nc1C)C2	ZINC001110564460	975047581	/nfs/dbraw/zinc/04/75/81/975047581.db2.gz	DWNBCSFDKATSPW-RWQQGDIJSA-N	1	0	374.485	1.691	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCOC2CCC2)C1	ZINC001201437499	975060350	/nfs/dbraw/zinc/06/03/50/975060350.db2.gz	DJHHGGRSZWZPRX-KSZLIROESA-N	1	0	352.475	1.354	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCOCC2CCC2)C1	ZINC001201437919	975060555	/nfs/dbraw/zinc/06/05/55/975060555.db2.gz	IODWCWDXJMTVMO-OTWHNJEPSA-N	1	0	366.502	1.601	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC[N@@H+]1C	ZINC000867395943	975070965	/nfs/dbraw/zinc/07/09/65/975070965.db2.gz	UCSOGHRZXAWNRU-LXTVHRRPSA-N	1	0	350.463	1.592	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCCOCC)C1	ZINC001201612536	975098483	/nfs/dbraw/zinc/09/84/83/975098483.db2.gz	QJPYGTCTXXHVMP-FHWLQOOXSA-N	1	0	368.518	1.991	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NS(=O)(=O)CC)C2	ZINC001110583721	975327361	/nfs/dbraw/zinc/32/73/61/975327361.db2.gz	JRSIGHPOMGQKSQ-HZMVEIRTSA-N	1	0	371.547	1.782	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1	ZINC000847291988	975425453	/nfs/dbraw/zinc/42/54/53/975425453.db2.gz	JWDMYQQQZZRQDK-ROUUACIJSA-N	1	0	354.454	1.923	20	30		FDEDRO
CCC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1	ZINC001110587670	975536585	/nfs/dbraw/zinc/53/65/85/975536585.db2.gz	VOTDRQASRHKWTP-LIRZEXBASA-N	1	0	354.454	1.694	20	30		FDEDRO
CCN1CCC([NH+]2CCC(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2)CC1	ZINC000847483392	975707621	/nfs/dbraw/zinc/70/76/21/975707621.db2.gz	AHZNSTRSFCCJFM-FQEVSTJZSA-N	1	0	373.545	1.381	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cn1cccn1	ZINC001110593284	976066576	/nfs/dbraw/zinc/06/65/76/976066576.db2.gz	RZXFCBQRIISRGN-MKXGPGLRSA-N	1	0	358.486	1.734	20	30		FDEDRO
COCCC1(NS(=O)(=O)c2cccc(Cl)c2C#N)CC[NH2+]CC1	ZINC000866821080	976103511	/nfs/dbraw/zinc/10/35/11/976103511.db2.gz	PMVOLRUKSRWBKC-UHFFFAOYSA-N	1	0	357.863	1.649	20	30		FDEDRO
C#Cc1ccccc1CC(=O)NC1CC[NH+](CC(=O)N(CC)CC)CC1	ZINC000848063166	976294971	/nfs/dbraw/zinc/29/49/71/976294971.db2.gz	DEQUCJSEDOSHDX-UHFFFAOYSA-N	1	0	355.482	1.659	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1	ZINC000867607661	976494296	/nfs/dbraw/zinc/49/42/96/976494296.db2.gz	KLRSYTYBHFOUJV-FHLIZLRMSA-N	1	0	354.454	1.630	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N1CCn2c(CCc3ccccc3)nnc2C1	ZINC000848414433	976723358	/nfs/dbraw/zinc/72/33/58/976723358.db2.gz	MXBFWIZEYCMSJL-QGZVFWFLSA-N	1	0	366.469	1.817	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]nc3c1cccc3OC)C2	ZINC001110604905	976944868	/nfs/dbraw/zinc/94/48/68/976944868.db2.gz	RSOXDESWXPBXHQ-BMFZPTHFSA-N	1	0	368.437	1.556	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCCC(=O)NCc1ccccc1	ZINC000867947527	977126933	/nfs/dbraw/zinc/12/69/33/977126933.db2.gz	RRMDAWLUOFRABH-FQEVSTJZSA-N	1	0	362.433	1.568	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1C[C@@H](C(N)=O)Cc2ccccc21	ZINC000867949431	977130193	/nfs/dbraw/zinc/13/01/93/977130193.db2.gz	YHBAGCPZVCOFRF-LPHOPBHVSA-N	1	0	360.417	1.436	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1	ZINC000867953315	977133974	/nfs/dbraw/zinc/13/39/74/977133974.db2.gz	SOTRCLROGAIKKQ-HKUYNNGSSA-N	1	0	366.465	1.652	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCCN1C[C@@H]2CCCCN2C1=O	ZINC000867985682	977170564	/nfs/dbraw/zinc/17/05/64/977170564.db2.gz	LKDAMWFCXUDXLX-FUHWJXTLSA-N	1	0	367.453	1.151	20	30		FDEDRO
Cc1c(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)nnn1C1CC[NH2+]CC1	ZINC000868038216	977224607	/nfs/dbraw/zinc/22/46/07/977224607.db2.gz	NXLLFQDGVZVNEB-INIZCTEOSA-N	1	0	350.426	1.280	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1C#N	ZINC000848937321	977261157	/nfs/dbraw/zinc/26/11/57/977261157.db2.gz	NNCORHRUCVIRIL-IRXDYDNUSA-N	1	0	370.453	1.316	20	30		FDEDRO
N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=[NH2+])NC[C@@H]1CCCO1	ZINC000849003143	977288116	/nfs/dbraw/zinc/28/81/16/977288116.db2.gz	LMTRCKPEKXCOBP-HNNXBMFYSA-N	1	0	367.457	1.552	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCCNc2ncccc2C#N)CC1	ZINC000849058961	977297908	/nfs/dbraw/zinc/29/79/08/977297908.db2.gz	YAYGUCFHAKZJOD-UHFFFAOYSA-N	1	0	373.461	1.442	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)N[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C	ZINC000849089282	977309066	/nfs/dbraw/zinc/30/90/66/977309066.db2.gz	JNWGYXUUXNJDSK-RTBURBONSA-N	1	0	374.529	1.868	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1	ZINC000849095503	977313374	/nfs/dbraw/zinc/31/33/74/977313374.db2.gz	ARULTDATLQXMOG-RBUKOAKNSA-N	1	0	368.485	1.225	20	30		FDEDRO
CN1CCC[NH+]=C1NCCCNC(=O)c1cccc(Br)c1	ZINC000849111082	977321666	/nfs/dbraw/zinc/32/16/66/977321666.db2.gz	GOQSUYAYRSVLBS-UHFFFAOYSA-N	1	0	353.264	1.850	20	30		FDEDRO
COc1ccc(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1C#N	ZINC000868206188	977345630	/nfs/dbraw/zinc/34/56/30/977345630.db2.gz	IWEYYIKTWCUXCO-AWEZNQCLSA-N	1	0	371.363	1.524	20	30		FDEDRO
CN(CCc1cccc(C#N)c1)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000868288790	977452201	/nfs/dbraw/zinc/45/22/01/977452201.db2.gz	GCIXBKKBGRIRCU-IBGZPJMESA-N	1	0	369.513	1.911	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1	ZINC000868365912	977541859	/nfs/dbraw/zinc/54/18/59/977541859.db2.gz	KIMVWFBEPISQCW-INIZCTEOSA-N	1	0	357.433	1.766	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cnn(CC#N)c2)[C@@H](c2cnn(C)c2)C1	ZINC000849514161	977708148	/nfs/dbraw/zinc/70/81/48/977708148.db2.gz	ZSSQLGHUYZOLSJ-DLBZAZTESA-N	1	0	355.446	1.593	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](C(=O)N[C@]2(C#N)CCSC2)[C@H](c2cnn(C)c2)C1	ZINC000849517621	977710731	/nfs/dbraw/zinc/71/07/31/977710731.db2.gz	MAIKHMTZWCGQDJ-BQFCYCMXSA-N	1	0	361.515	1.749	20	30		FDEDRO
Cc1cc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)nn1CCC#N	ZINC000849571026	977769863	/nfs/dbraw/zinc/76/98/63/977769863.db2.gz	GDXUFRMSYZEFOY-CVEARBPZSA-N	1	0	355.446	1.513	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)C1CCOCC1	ZINC000850689842	978614566	/nfs/dbraw/zinc/61/45/66/978614566.db2.gz	VOBPQMRXKNDUHB-KRWDZBQOSA-N	1	0	357.454	1.274	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1	ZINC000850829451	978687979	/nfs/dbraw/zinc/68/79/79/978687979.db2.gz	KQVKNYKCJFBZFZ-QGZVFWFLSA-N	1	0	369.465	1.875	20	30		FDEDRO
CCOC(=O)Nc1ccc(NC(=O)C(=O)NCC2([NH3+])CCCC2)cc1C#N	ZINC000850842346	978693843	/nfs/dbraw/zinc/69/38/43/978693843.db2.gz	VUCXZPFOCYHHHL-UHFFFAOYSA-N	1	0	373.413	1.453	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1	ZINC000968001015	1014537706	/nfs/dbraw/zinc/53/77/06/1014537706.db2.gz	MQJLNIHZEGSKJD-BZSNNMDCSA-N	1	0	363.502	1.367	20	30		FDEDRO
CC[C@@H](C#N)Oc1cc(CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)ccc1OC	ZINC000851657209	978986546	/nfs/dbraw/zinc/98/65/46/978986546.db2.gz	YALORJZRPDMLNZ-RRFJBIMHSA-N	1	0	364.421	1.957	20	30		FDEDRO
COc1cccc2c1CC[C@@]2(CO)[NH2+]C[C@@H](O)CC1(C#N)CCOCC1	ZINC000880383082	979147198	/nfs/dbraw/zinc/14/71/98/979147198.db2.gz	ZQQPGXNPEUPPFP-YWZLYKJASA-N	1	0	360.454	1.490	20	30		FDEDRO
C#CCC1(O)CC[NH+](C[C@H](O)COc2cccc(C(=O)OCC)c2)CC1	ZINC000880477759	979218605	/nfs/dbraw/zinc/21/86/05/979218605.db2.gz	NCVXUWWOJDTFOW-KRWDZBQOSA-N	1	0	361.438	1.453	20	30		FDEDRO
C#CCC1(O)CCN([C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000880481732	979222045	/nfs/dbraw/zinc/22/20/45/979222045.db2.gz	ZWXAGXIMDLWRRG-ICSRJNTNSA-N	1	0	369.509	1.616	20	30		FDEDRO
C#CCC1(O)CC[NH+](C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)CC1	ZINC000880482377	979223503	/nfs/dbraw/zinc/22/35/03/979223503.db2.gz	HIMFDFVJAGWJRP-INIZCTEOSA-N	1	0	358.438	1.161	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c1	ZINC000128473702	979258847	/nfs/dbraw/zinc/25/88/47/979258847.db2.gz	ZGBUZIUVQVGAHQ-UHFFFAOYSA-N	1	0	355.398	1.034	20	30		FDEDRO
C#C[C@](C)(CC)[NH2+]CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098147	979349707	/nfs/dbraw/zinc/34/97/07/979349707.db2.gz	GGTOZIUIQILZCT-YLJYHZDGSA-N	1	0	355.438	1.760	20	30		FDEDRO
C#C[C@](C)(CC)[NH2+][C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852102549	979350956	/nfs/dbraw/zinc/35/09/56/979350956.db2.gz	YYFZVNOKTFDACQ-PBFPGSCMSA-N	1	0	351.472	1.291	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)CC1	ZINC000852134974	979381100	/nfs/dbraw/zinc/38/11/00/979381100.db2.gz	JQCMABLUOGQBOA-UHFFFAOYSA-N	1	0	370.501	1.116	20	30		FDEDRO
C#CCOCC[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)C2(C1)CCOCC2	ZINC000852140906	979387564	/nfs/dbraw/zinc/38/75/64/979387564.db2.gz	LGTURUWNDFYJLA-INIZCTEOSA-N	1	0	352.475	1.890	20	30		FDEDRO
C[NH+](C)CCN1CCN(C(=O)Nc2cc(C#N)c(F)cc2F)CC1=O	ZINC000880710540	979403456	/nfs/dbraw/zinc/40/34/56/979403456.db2.gz	PAZDRNZRMITVHN-UHFFFAOYSA-N	1	0	351.357	1.074	20	30		FDEDRO
COc1ccc(NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1C#N	ZINC000880875774	979507480	/nfs/dbraw/zinc/50/74/80/979507480.db2.gz	CQGLRCQMIDTACT-MRXNPFEDSA-N	1	0	373.457	1.631	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000968020016	1014582080	/nfs/dbraw/zinc/58/20/80/1014582080.db2.gz	YSIMVIJBFWPIDT-DOTOQJQBSA-N	1	0	357.458	1.290	20	30		FDEDRO
N#Cc1cccc([C@@H](NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C(F)(F)F)c1	ZINC000880926401	979529627	/nfs/dbraw/zinc/52/96/27/979529627.db2.gz	QQWXGMQWCCOKOG-RRFJBIMHSA-N	1	0	368.359	1.622	20	30		FDEDRO
C#CCSCC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000888859663	979584049	/nfs/dbraw/zinc/58/40/49/979584049.db2.gz	JPKQZFMAIBHVFP-QGZVFWFLSA-N	1	0	359.495	1.367	20	30		FDEDRO
Cc1nc(C#N)cc(N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)n1	ZINC000881836386	980198292	/nfs/dbraw/zinc/19/82/92/980198292.db2.gz	WOQCFYWHQRTDJK-UHFFFAOYSA-N	1	0	358.490	1.577	20	30		FDEDRO
CN1CC[NH+](CC2CN(c3nccc(Oc4cccc(C#N)c4)n3)C2)CC1	ZINC000882540211	980711157	/nfs/dbraw/zinc/71/11/57/980711157.db2.gz	JPDWDMPZZWBGHW-UHFFFAOYSA-N	1	0	364.453	1.824	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1	ZINC000858153594	981868006	/nfs/dbraw/zinc/86/80/06/981868006.db2.gz	PIEQOCXEONCKGZ-LJQANCHMSA-N	1	0	372.513	1.845	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000858189882	981902603	/nfs/dbraw/zinc/90/26/03/981902603.db2.gz	VCXZREONYSCZIF-INIZCTEOSA-N	1	0	350.507	1.273	20	30		FDEDRO
C=C(C)C[C@H](CO)NC(=O)NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C	ZINC000883055892	981916157	/nfs/dbraw/zinc/91/61/57/981916157.db2.gz	VVVWXUBKQKZYMH-HZPDHXFCSA-N	1	0	365.474	1.933	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000858275365	981954844	/nfs/dbraw/zinc/95/48/44/981954844.db2.gz	GSOPJUKHBXHGQQ-VQTJNVASSA-N	1	0	372.513	1.703	20	30		FDEDRO
C#CC[C@@H](COC)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1	ZINC000858334287	981993033	/nfs/dbraw/zinc/99/30/33/981993033.db2.gz	LHPAESRVQHTRKB-NSHDSACASA-N	1	0	361.261	1.224	20	30		FDEDRO
C=CCC[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1Cc2ccccc2O1	ZINC000883232069	982025664	/nfs/dbraw/zinc/02/56/64/982025664.db2.gz	AJGKLIUQLKRPDJ-BQFCYCMXSA-N	1	0	350.484	1.948	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000858434753	982048954	/nfs/dbraw/zinc/04/89/54/982048954.db2.gz	OPNAZBFJYVVKIN-KRWDZBQOSA-N	1	0	359.470	1.997	20	30		FDEDRO
C#CC1(NC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CCCC1	ZINC000883326973	982071704	/nfs/dbraw/zinc/07/17/04/982071704.db2.gz	NVUAEIIXXUBXFX-UHFFFAOYSA-N	1	0	370.501	1.624	20	30		FDEDRO
C=CCC[C@H]([NH2+]Cc1nnc2c(=O)n(C)ccn12)[C@@H]1Cc2ccccc2O1	ZINC000883337743	982084528	/nfs/dbraw/zinc/08/45/28/982084528.db2.gz	LSXRRVRCHUVASE-RDJZCZTQSA-N	1	0	365.437	1.856	20	30		FDEDRO
C#CCOCCNC(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000883566444	982271496	/nfs/dbraw/zinc/27/14/96/982271496.db2.gz	WSZKPUVXVBAVTG-UHFFFAOYSA-N	1	0	359.470	1.353	20	30		FDEDRO
CC[N@@H+]1CC[C@H]1CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000883601805	982298972	/nfs/dbraw/zinc/29/89/72/982298972.db2.gz	GTOUFBUDKJRKRJ-IRXDYDNUSA-N	1	0	355.442	1.053	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)n1	ZINC000883610797	982307570	/nfs/dbraw/zinc/30/75/70/982307570.db2.gz	DOOBYVGDNQYXFW-OAHLLOKOSA-N	1	0	355.442	1.324	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)NC(C)(C)CC)CC1	ZINC001202559326	982529326	/nfs/dbraw/zinc/52/93/26/982529326.db2.gz	AQSJACSZEMENDD-CVEARBPZSA-N	1	0	351.491	1.463	20	30		FDEDRO
C[N@H+](C[C@@H](O)COc1ccccc1C#N)[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000859137904	982568925	/nfs/dbraw/zinc/56/89/25/982568925.db2.gz	FNOMFOBZMDBNOW-ZIAGYGMSSA-N	1	0	371.359	1.393	20	30		FDEDRO
N#CC1(C[C@H](O)CN2CCOC[C@@H]2C[C@H](O)c2ccco2)CCOCC1	ZINC000859165273	982590123	/nfs/dbraw/zinc/59/01/23/982590123.db2.gz	GKCDPDGQHDMXLI-ULQDDVLXSA-N	1	0	364.442	1.475	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2cccnc2)CC1	ZINC001202589008	982641128	/nfs/dbraw/zinc/64/11/28/982641128.db2.gz	SESRWSKWGYOCOQ-FHLIZLRMSA-N	1	0	356.470	1.456	20	30		FDEDRO
CCOC(=O)N1CCC([C@H](C)[NH2+]C[C@H](O)CC2(C#N)CCOCC2)CC1	ZINC000859260300	982654273	/nfs/dbraw/zinc/65/42/73/982654273.db2.gz	QNHMYNNRLMZKCE-DOTOQJQBSA-N	1	0	367.490	1.904	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCC1(N3CCOCC3)CCCCC1)C2	ZINC000884053977	982772621	/nfs/dbraw/zinc/77/26/21/982772621.db2.gz	MPSNQNPGKYYHJJ-TVRKMHQQSA-N	1	0	360.502	1.277	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCC(C(=O)c3ccc(O)cc3)CC1)C2	ZINC000884064486	982803706	/nfs/dbraw/zinc/80/37/06/982803706.db2.gz	JLAZBGHZGHAWDU-BQIYRTECSA-N	1	0	367.449	1.953	20	30		FDEDRO
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884073254	982821902	/nfs/dbraw/zinc/82/19/02/982821902.db2.gz	DNENUEMPPINSNI-RDYUPDBUSA-N	1	0	352.438	1.965	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H](CN1CCCC1=O)c1ccccc1)C2	ZINC000884077229	982828460	/nfs/dbraw/zinc/82/84/60/982828460.db2.gz	FTJBRTAGBZHVIT-BKVYSMKUSA-N	1	0	366.465	1.606	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1cc(Cl)c3c(c1)OCCO3)C2	ZINC000884079728	982835636	/nfs/dbraw/zinc/83/56/36/982835636.db2.gz	ZCBLTNKMCRJEMZ-XYEKJYRLSA-N	1	0	361.829	1.867	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NCc2cnn(Cc3ccccc3)c2)C1	ZINC000884081442	982837067	/nfs/dbraw/zinc/83/70/67/982837067.db2.gz	ZIDUQHOFNXRUKF-LJQANCHMSA-N	1	0	351.454	1.828	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NCc2ccccc2OCC[NH+](C)C)C1	ZINC000884106903	982876501	/nfs/dbraw/zinc/87/65/01/982876501.db2.gz	FLVDVQXUQFGVLU-GOSISDBHSA-N	1	0	358.486	1.524	20	30		FDEDRO
COC(=O)[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)Cc1cccc(F)c1	ZINC000884128785	982911176	/nfs/dbraw/zinc/91/11/76/982911176.db2.gz	NYLGCLJQFSIEOM-JQCXZVQFSA-N	1	0	373.428	1.413	20	30		FDEDRO
CN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[C@H]1CCN(c2ccccc2F)C1=O	ZINC000884137453	982920210	/nfs/dbraw/zinc/92/02/10/982920210.db2.gz	MXHQCCCIMURLSU-PYAWSDGHSA-N	1	0	370.428	1.529	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1	ZINC000884178545	982950790	/nfs/dbraw/zinc/95/07/90/982950790.db2.gz	OEQOCMJVVQQAQZ-UONOGXRCSA-N	1	0	351.472	1.448	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCN(CCOc3ccccc3)CC1)C2	ZINC000884179218	982951662	/nfs/dbraw/zinc/95/16/62/982951662.db2.gz	IMEKBDJPAFYHFP-WBTXTPOCSA-N	1	0	368.481	1.349	20	30		FDEDRO
CCOC(=O)Nc1ccc(NC(=O)N(C)CCOCC[NH2+]C)cc1C#N	ZINC000859665977	982966031	/nfs/dbraw/zinc/96/60/31/982966031.db2.gz	YGTGBQAZTWXUIM-UHFFFAOYSA-N	1	0	363.418	1.826	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1ccccc1CN1CCOCC1)C2	ZINC000884197631	982972864	/nfs/dbraw/zinc/97/28/64/982972864.db2.gz	ZDUCAKSCTKOSQM-GNZRSQJKSA-N	1	0	354.454	1.597	20	30		FDEDRO
COc1cccc(N2CC[C@H](CNC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)C2)c1	ZINC000884207983	982983915	/nfs/dbraw/zinc/98/39/15/982983915.db2.gz	LZTXOTZXBXTBSD-BAQZJKQNSA-N	1	0	368.481	1.777	20	30		FDEDRO
COc1cc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(C#N)[nH]2)C3)ccn1	ZINC001095328008	982986673	/nfs/dbraw/zinc/98/66/73/982986673.db2.gz	QKVMDSSIFFXLKS-PVAVHDDUSA-N	1	0	351.410	1.825	20	30		FDEDRO
Cn1c(CCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)nc2cc(F)ccc21	ZINC000884217670	982993119	/nfs/dbraw/zinc/99/31/19/982993119.db2.gz	STVVGPHZQBMJJB-MLZJXEJWSA-N	1	0	355.417	1.510	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000884223371	982997383	/nfs/dbraw/zinc/99/73/83/982997383.db2.gz	OYKFPPJDRHILDW-WBQJQJEBSA-N	1	0	373.497	1.706	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC(C)([NH+]2CCOCC2)CC1	ZINC000859776477	983016884	/nfs/dbraw/zinc/01/68/84/983016884.db2.gz	VUPUDGCDKPCBPH-SFHVURJKSA-N	1	0	357.454	1.959	20	30		FDEDRO
COc1ccccc1[C@@H]1CNCCN1C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884278949	983049899	/nfs/dbraw/zinc/04/98/99/983049899.db2.gz	XMVIPVFBZXMJRC-RHELOZEPSA-N	1	0	354.454	1.307	20	30		FDEDRO
C[C@H](C(=O)N1CCOCC1)N1CCN(Cc2ccc(CC#N)cc2)CC1	ZINC000332560396	983075502	/nfs/dbraw/zinc/07/55/02/983075502.db2.gz	WCGXJMVQSYTFNU-QGZVFWFLSA-N	1	0	356.470	1.118	20	30		FDEDRO
Cc1ccc(CN2CC[C@@H](NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)C2=O)cc1	ZINC000884321961	983083703	/nfs/dbraw/zinc/08/37/03/983083703.db2.gz	CCTXDMVWTCRTPH-BKVYSMKUSA-N	1	0	366.465	1.352	20	30		FDEDRO
COc1ccc(N2CC[C@@H](CNC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)C2)cc1	ZINC000884369217	983119006	/nfs/dbraw/zinc/11/90/06/983119006.db2.gz	WPHBIQSRJXZALQ-DILDSAGESA-N	1	0	368.481	1.777	20	30		FDEDRO
COc1ccc(N2CC[C@H](NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)C2)cc1	ZINC000884397999	983137371	/nfs/dbraw/zinc/13/73/71/983137371.db2.gz	SXRBHKKFGGHQHL-FZTQNYJHSA-N	1	0	354.454	1.529	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc3nonc3c2)[nH]1	ZINC001095329321	983157838	/nfs/dbraw/zinc/15/78/38/983157838.db2.gz	GPZRVCSRFCNINK-BVGQSLNGSA-N	1	0	362.393	1.958	20	30		FDEDRO
C[C@]1(c2cccc(C#N)c2)NC(=O)N(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)C1=O	ZINC000884482386	983184545	/nfs/dbraw/zinc/18/45/45/983184545.db2.gz	APRYIZVNYFIDOO-XAUMDUMWSA-N	1	0	368.437	1.784	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F)c1cccc(C#N)c1	ZINC000884616850	983279147	/nfs/dbraw/zinc/27/91/47/983279147.db2.gz	CWFBVVYAIRZCRQ-SMDDNHRTSA-N	1	0	350.369	1.096	20	30		FDEDRO
CNS(=O)(=O)C[C@H]1CCC[N@H+](CCCOc2ccc(C#N)cc2)C1	ZINC000860197759	983282479	/nfs/dbraw/zinc/28/24/79/983282479.db2.gz	ZDLYZMKJCTWBJF-INIZCTEOSA-N	1	0	351.472	1.588	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)n1	ZINC000861679175	983820382	/nfs/dbraw/zinc/82/03/82/983820382.db2.gz	GZDQGSXIBKQHBW-QGZVFWFLSA-N	1	0	364.453	1.568	20	30		FDEDRO
O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1	ZINC000861713554	983857069	/nfs/dbraw/zinc/85/70/69/983857069.db2.gz	CLYCQLLVWMADSN-JKSUJKDBSA-N	1	0	352.356	1.724	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2ccsc2)C1	ZINC001111572157	983938780	/nfs/dbraw/zinc/93/87/80/983938780.db2.gz	AJXSAUQVGDZVCP-ALKREAHSSA-N	1	0	361.511	1.952	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@]12CN(C(=O)OC(C)(C)C)C[C@H]1CCO2	ZINC000861839225	983950467	/nfs/dbraw/zinc/95/04/67/983950467.db2.gz	WCYWIHVYEHDPEK-BEFAXECRSA-N	1	0	365.474	1.084	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1	ZINC000862092742	984106547	/nfs/dbraw/zinc/10/65/47/984106547.db2.gz	ZZJNXDLZKIYQGK-KRWDZBQOSA-N	1	0	355.438	1.770	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1	ZINC000862446221	984392395	/nfs/dbraw/zinc/39/23/95/984392395.db2.gz	AGSFKJOVCRXAQX-INIZCTEOSA-N	1	0	352.456	1.108	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@@H](NC(=O)NC1CC[NH+]([C@H]3CCOC3)CC1)C2	ZINC000868782827	984600962	/nfs/dbraw/zinc/60/09/62/984600962.db2.gz	FUVMZCFLSRBBEL-OALUTQOASA-N	1	0	354.454	1.578	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCC[C@](CO)(NC(=O)OC(C)(C)C)C1	ZINC000884780605	984782526	/nfs/dbraw/zinc/78/25/26/984782526.db2.gz	CDYHOINGCPHGNX-SFHVURJKSA-N	1	0	355.479	1.373	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(CCC#N)cc1	ZINC000884999932	985055605	/nfs/dbraw/zinc/05/56/05/985055605.db2.gz	GUANLMZAJHODQG-HNNXBMFYSA-N	1	0	350.488	1.057	20	30		FDEDRO
C[NH+](C)[C@H](CC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccccc1	ZINC000885315127	985326945	/nfs/dbraw/zinc/32/69/45/985326945.db2.gz	NKHQEXWRHVEELL-NUJGCVRESA-N	1	0	361.467	1.076	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1([NH+](C)C)CCC1	ZINC001006385770	985349224	/nfs/dbraw/zinc/34/92/24/985349224.db2.gz	OPUDTXIWQJKWBO-MTSZKFMLSA-N	1	0	361.486	1.310	20	30		FDEDRO
N#CC1(C[C@@H](O)CN2CC[NH+](C[C@@H](O)CC3(C#N)CCC3)CC2)CCC1	ZINC000885935151	985788046	/nfs/dbraw/zinc/78/80/46/985788046.db2.gz	DEMYMWGKEMEOQV-HDICACEKSA-N	1	0	360.502	1.494	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)CCC1	ZINC000886202956	985964711	/nfs/dbraw/zinc/96/47/11/985964711.db2.gz	ILBLVAGWUTWBFE-ZACQAIPSSA-N	1	0	365.474	1.801	20	30		FDEDRO
N#C[C@]12CN(C(=O)c3cccc(C[NH+]4CCCC4)c3)C[C@@H]1CS(=O)(=O)C2	ZINC000886203687	985965639	/nfs/dbraw/zinc/96/56/39/985965639.db2.gz	CDOQVZFUWFPXFE-IEBWSBKVSA-N	1	0	373.478	1.293	20	30		FDEDRO
C#CCN1CCC[C@H]([NH2+]Cc2ccc(OCC(=O)NCC)c(OC)c2)C1	ZINC000886213324	985978264	/nfs/dbraw/zinc/97/82/64/985978264.db2.gz	QPRLZPTVEWWMBK-KRWDZBQOSA-N	1	0	359.470	1.397	20	30		FDEDRO
CC(C)(C)OC(=O)[C@]12COC[C@H]1C[N@H+](C[C@H](O)CC1(C#N)CCC1)C2	ZINC000886278746	986017536	/nfs/dbraw/zinc/01/75/36/986017536.db2.gz	IDFHAJBBVCUOPF-SPYBWZPUSA-N	1	0	350.459	1.721	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@]2(CO)CCCN(C(=O)OC(C)(C)C)C2)C1=O	ZINC000886429316	986208642	/nfs/dbraw/zinc/20/86/42/986208642.db2.gz	ZMCLUVOBIUJTKV-KSSFIOAISA-N	1	0	353.463	1.125	20	30		FDEDRO
COc1cc(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccn2)ccc1C#N	ZINC000870664978	986210661	/nfs/dbraw/zinc/21/06/61/986210661.db2.gz	GRLNCSVJGKPCHY-UHFFFAOYSA-N	1	0	351.410	1.966	20	30		FDEDRO
C#CCN(C(=O)c1ccc(C(=O)N2CCOCC2)cc1)C1CC[NH+](C)CC1	ZINC000886573712	986374682	/nfs/dbraw/zinc/37/46/82/986374682.db2.gz	UDENWGYKYWKFAL-UHFFFAOYSA-N	1	0	369.465	1.329	20	30		FDEDRO
C#CCN(C(=O)[C@@H](C)n1nnc(-c2ccccc2)n1)C1CC[NH+](C)CC1	ZINC000886580996	986383435	/nfs/dbraw/zinc/38/34/35/986383435.db2.gz	GABVZUBPWUWTPY-OAHLLOKOSA-N	1	0	352.442	1.457	20	30		FDEDRO
C#CCN(C(=O)CNC(=O)CCc1ccc(C)cc1)C1CC[NH+](C)CC1	ZINC000886582501	986385746	/nfs/dbraw/zinc/38/57/46/986385746.db2.gz	XJPNIJGPTDEMAC-UHFFFAOYSA-N	1	0	355.482	1.600	20	30		FDEDRO
C#CCN(C(=O)c1ccc(N2CCOCC2)c(F)c1)C1CC[NH+](C)CC1	ZINC000886582299	986385847	/nfs/dbraw/zinc/38/58/47/986385847.db2.gz	ODFJVOYGTIAZKZ-UHFFFAOYSA-N	1	0	359.445	1.832	20	30		FDEDRO
C#CCN(C(=O)C1CCN(C(=O)N(CC)CC)CC1)C1CC[NH+](C)CC1	ZINC000886583134	986387075	/nfs/dbraw/zinc/38/70/75/986387075.db2.gz	CHGQVZJTOQMSGP-UHFFFAOYSA-N	1	0	362.518	1.716	20	30		FDEDRO
C#CCN(C(=O)c1ccc(=O)n(-c2ccccc2)n1)C1CC[NH+](C)CC1	ZINC000886584972	986390056	/nfs/dbraw/zinc/39/00/56/986390056.db2.gz	AUAJGHCQBYSLBI-UHFFFAOYSA-N	1	0	350.422	1.402	20	30		FDEDRO
C#CCN(C(=O)[C@@H](C)N1C(=O)c2ccc(C)cc2C1=O)C1CC[NH+](C)CC1	ZINC000886585464	986391537	/nfs/dbraw/zinc/39/15/37/986391537.db2.gz	XGRRRUZGCINXMA-OAHLLOKOSA-N	1	0	367.449	1.536	20	30		FDEDRO
C#CCN(C(=O)c1cccc(S(=O)(=O)N(C)C)c1)C1CC[NH+](C)CC1	ZINC000886589170	986396796	/nfs/dbraw/zinc/39/67/96/986396796.db2.gz	LUKKALFBRHJFQE-UHFFFAOYSA-N	1	0	363.483	1.107	20	30		FDEDRO
C=CCC1(O)CC[NH+]([C@@H](C)C(=O)N2CCC(C(=O)OCC)CC2)CC1	ZINC000886759379	986560872	/nfs/dbraw/zinc/56/08/72/986560872.db2.gz	DQJRZTMORNULTD-HNNXBMFYSA-N	1	0	352.475	1.580	20	30		FDEDRO
C=CCC1(O)CC[NH+]([C@@H](C)C(=O)N2CCN(C(=O)OCC)CC2)CC1	ZINC000886766745	986568396	/nfs/dbraw/zinc/56/83/96/986568396.db2.gz	QLRZISDZZDEBEG-HNNXBMFYSA-N	1	0	353.463	1.079	20	30		FDEDRO
C=CCC1(O)CC[NH+]([C@@H](C)C(=O)N2CCN(c3ccccn3)CC2)CC1	ZINC000886772093	986575801	/nfs/dbraw/zinc/57/58/01/986575801.db2.gz	SCWJTUSVIURDFY-KRWDZBQOSA-N	1	0	358.486	1.522	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1	ZINC000871001929	986581390	/nfs/dbraw/zinc/58/13/90/986581390.db2.gz	JMBKEXYKAAXIRF-UNEWFSDZSA-N	1	0	357.410	1.259	20	30		FDEDRO
C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1	ZINC000871099857	986668769	/nfs/dbraw/zinc/66/87/69/986668769.db2.gz	HFYXHFIPFDMTEN-HUUCEWRRSA-N	1	0	356.478	1.489	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](C)C(C)(C)CC2)cc1	ZINC000871152182	986719253	/nfs/dbraw/zinc/71/92/53/986719253.db2.gz	QXJGPVXIIAGFFA-UHFFFAOYSA-N	1	0	363.483	1.154	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCN(c2ccc(C#N)nc2)CC1	ZINC000871677016	987191651	/nfs/dbraw/zinc/19/16/51/987191651.db2.gz	RUONZBKPKPGXLJ-MRXNPFEDSA-N	1	0	358.515	1.434	20	30		FDEDRO
N#CCOc1ccc(Cn2cnc3c(cnn3C3CC[NH2+]CC3)c2=O)cc1	ZINC000871677196	987191712	/nfs/dbraw/zinc/19/17/12/987191712.db2.gz	ABKPWSZGYJNLGD-UHFFFAOYSA-N	1	0	364.409	1.468	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(C(=O)Nc2cc(CC#N)ccn2)CC1	ZINC000871731180	987211008	/nfs/dbraw/zinc/21/10/08/987211008.db2.gz	RVKHRTHXQRUEIC-UHFFFAOYSA-N	1	0	352.398	1.905	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000871804498	987249282	/nfs/dbraw/zinc/24/92/82/987249282.db2.gz	CIYSZEVIQZDZRS-YESZJQIVSA-N	1	0	363.483	1.774	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1	ZINC000872187310	987488482	/nfs/dbraw/zinc/48/84/82/987488482.db2.gz	UGKNFLYOWISDHL-KGLIPLIRSA-N	1	0	368.359	1.112	20	30		FDEDRO
C#CCSCC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000888597863	987531049	/nfs/dbraw/zinc/53/10/49/987531049.db2.gz	QTLLTOAVJRGXFS-SFHVURJKSA-N	1	0	372.538	1.809	20	30		FDEDRO
COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H]2Cc3ccc(C#N)cc3C2)cc1	ZINC000872238761	987535639	/nfs/dbraw/zinc/53/56/39/987535639.db2.gz	JXOJKMAJRIGEDJ-RBUKOAKNSA-N	1	0	366.417	1.842	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H]([NH2+]C[C@H](O)CN1C(=O)c3ccccc3C1=O)C2	ZINC000872237807	987535834	/nfs/dbraw/zinc/53/58/34/987535834.db2.gz	AZANZXFPLKCLES-SJORKVTESA-N	1	0	361.401	1.272	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)CCOCC1	ZINC000872248449	987541479	/nfs/dbraw/zinc/54/14/79/987541479.db2.gz	USWPCOQOXZIWMF-IAGOWNOFSA-N	1	0	352.862	1.904	20	30		FDEDRO
CC#CCC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1	ZINC000872296374	987580817	/nfs/dbraw/zinc/58/08/17/987580817.db2.gz	YEYCLYILWKUDPL-XHSDSOJGSA-N	1	0	363.458	1.914	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1	ZINC000872448936	987669367	/nfs/dbraw/zinc/66/93/67/987669367.db2.gz	JWQYCFCUJMTMAP-KRWDZBQOSA-N	1	0	362.499	1.267	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c1	ZINC000872661960	987926748	/nfs/dbraw/zinc/92/67/48/987926748.db2.gz	AYNVBGRPPXKCSR-IAGOWNOFSA-N	1	0	363.483	1.460	20	30		FDEDRO
N#CCOc1cccc(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)c1	ZINC000298901643	987941350	/nfs/dbraw/zinc/94/13/50/987941350.db2.gz	BISPRFSTKMSXHZ-UHFFFAOYSA-N	1	0	356.426	1.614	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NC3CC[NH+](C4CC4)CC3)CC2)cn1	ZINC000872808939	988097669	/nfs/dbraw/zinc/09/76/69/988097669.db2.gz	GKEIRMNLRXJYSP-UHFFFAOYSA-N	1	0	354.458	1.412	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)C1	ZINC000360962897	988229633	/nfs/dbraw/zinc/22/96/33/988229633.db2.gz	RZDFVPKRYSHJED-VQTJNVASSA-N	1	0	367.497	1.375	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2=O)cc1	ZINC000365949911	988259185	/nfs/dbraw/zinc/25/91/85/988259185.db2.gz	KLSYPXQEZRJOBE-UHFFFAOYSA-N	1	0	366.465	1.603	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1)C[NH+]1CCCC1	ZINC000872923898	988288377	/nfs/dbraw/zinc/28/83/77/988288377.db2.gz	NBOQSHVXMSFHCN-MRXNPFEDSA-N	1	0	356.474	1.517	20	30		FDEDRO
CC(C)[C@H](CNC(=O)c1cc(C#N)cc(N(C)C)c1)[NH+]1CCN(C)CC1	ZINC000294607067	988495069	/nfs/dbraw/zinc/49/50/69/988495069.db2.gz	DOINFRXHJNMJLX-IBGZPJMESA-N	1	0	357.502	1.626	20	30		FDEDRO
C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC000873071128	988506918	/nfs/dbraw/zinc/50/69/18/988506918.db2.gz	WSQWNJWVCUBAAV-KRWDZBQOSA-N	1	0	370.501	1.905	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(CCCOC(C)=O)c1	ZINC000299486593	988528833	/nfs/dbraw/zinc/52/88/33/988528833.db2.gz	ZUYQGTSMBZWJFU-UHFFFAOYSA-N	1	0	373.453	1.192	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1Cl	ZINC000873102914	988550192	/nfs/dbraw/zinc/55/01/92/988550192.db2.gz	BWPWJTFJIWKOHU-ONGXEEELSA-N	1	0	374.750	1.746	20	30		FDEDRO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCN([C@@H]2CCOC2)CC1	ZINC000362034521	988566429	/nfs/dbraw/zinc/56/64/29/988566429.db2.gz	YBXOVZIWWPYQAL-AGYKMIKPSA-N	1	0	362.518	1.712	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1	ZINC000873108328	988573091	/nfs/dbraw/zinc/57/30/91/988573091.db2.gz	XCBAAUBRDOYAHV-DGCLKSJQSA-N	1	0	354.332	1.401	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1C#N	ZINC000873108377	988573184	/nfs/dbraw/zinc/57/31/84/988573184.db2.gz	IXMASUHBXNCFDF-IFXJQAMLSA-N	1	0	356.426	1.352	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000366259116	988581296	/nfs/dbraw/zinc/58/12/96/988581296.db2.gz	YAJUKWHKFDRWEK-DLBZAZTESA-N	1	0	373.457	1.227	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000299603022	988622734	/nfs/dbraw/zinc/62/27/34/988622734.db2.gz	GHQAXATUVBARKA-UHFFFAOYSA-N	1	0	367.453	1.971	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CCCN(C(=O)COc2ccccc2)CC1	ZINC000362635567	988692358	/nfs/dbraw/zinc/69/23/58/988692358.db2.gz	BIQDYECHRNBTEQ-UHFFFAOYSA-N	1	0	372.469	1.362	20	30		FDEDRO
COC(=O)c1ccnc(N2CCC[N@H+](CCC(=O)N(C)CCC#N)CC2)c1	ZINC000362638114	988693170	/nfs/dbraw/zinc/69/31/70/988693170.db2.gz	JDQBPOJETHAREX-UHFFFAOYSA-N	1	0	373.457	1.142	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(C(=O)c2ccc(OCC3CC3)cc2)CC1	ZINC000362862620	988753927	/nfs/dbraw/zinc/75/39/27/988753927.db2.gz	RKCYNPXGUZPTHN-UHFFFAOYSA-N	1	0	369.465	1.373	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1	ZINC000366712791	988754167	/nfs/dbraw/zinc/75/41/67/988754167.db2.gz	IPWFAXNAZOHVOR-WCIQWLHISA-N	1	0	373.497	1.902	20	30		FDEDRO
N#CCC1(CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)CC1	ZINC000366753978	988767412	/nfs/dbraw/zinc/76/74/12/988767412.db2.gz	AFXUCJQXGKBJIQ-ZWKOTPCHSA-N	1	0	356.470	1.862	20	30		FDEDRO
N#CCC1(CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)CC1	ZINC000366753976	988767645	/nfs/dbraw/zinc/76/76/45/988767645.db2.gz	AFXUCJQXGKBJIQ-QZTJIDSGSA-N	1	0	356.470	1.862	20	30		FDEDRO
CN1CCN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C[C@@H]1C#N	ZINC000366830278	988802429	/nfs/dbraw/zinc/80/24/29/988802429.db2.gz	RRLPQPYCZQOYFA-NRXISQOPSA-N	1	0	373.423	1.641	20	30		FDEDRO
N#C[C@@]1(C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC12CCCC2	ZINC000295897925	988804669	/nfs/dbraw/zinc/80/46/69/988804669.db2.gz	XFUXVGJEFJFHMS-WIYYLYMNSA-N	1	0	353.466	1.996	20	30		FDEDRO
C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CC(=O)NCc2cccc(C#N)c2)C[C@@H](C)O1	ZINC000363035302	988852567	/nfs/dbraw/zinc/85/25/67/988852567.db2.gz	KDAJKVBFQOCGSR-MBOZVWFJSA-N	1	0	370.497	1.748	20	30		FDEDRO
Cc1cccc(NC(=O)C2CC[NH+](CCC(=O)N(C)CCC#N)CC2)n1	ZINC000367501641	988953957	/nfs/dbraw/zinc/95/39/57/988953957.db2.gz	AENXTMHTEFXAIE-UHFFFAOYSA-N	1	0	357.458	1.803	20	30		FDEDRO
CCCC[C@@H](ON=C(C)C)C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1	ZINC000368200555	988983283	/nfs/dbraw/zinc/98/32/83/988983283.db2.gz	PRIXQIGTWSAJQN-QGZVFWFLSA-N	1	0	369.506	1.643	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc(C(=O)OC)nn2)C1	ZINC000368358367	988991039	/nfs/dbraw/zinc/99/10/39/988991039.db2.gz	UBMLSCHZYPZDGQ-CABCVRRESA-N	1	0	361.446	1.291	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH+]1CCC(n2c(C)nc3ccccc32)CC1	ZINC000369532230	989058298	/nfs/dbraw/zinc/05/82/98/989058298.db2.gz	OEARPUOMWUEUAY-UHFFFAOYSA-N	1	0	355.442	1.993	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CCN2c3ccccc3O[C@H](C)C2=O)CC1	ZINC000369593891	989061994	/nfs/dbraw/zinc/06/19/94/989061994.db2.gz	WBTHXNLNYPFOOB-MRXNPFEDSA-N	1	0	369.465	1.795	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)cc1C#N	ZINC000873775507	989162068	/nfs/dbraw/zinc/16/20/68/989162068.db2.gz	IQVXGROJVBBNLJ-OAHLLOKOSA-N	1	0	372.469	1.990	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)c1cnn(CCN2CCOCC2)c1	ZINC000363407793	989170492	/nfs/dbraw/zinc/17/04/92/989170492.db2.gz	FVORWHCSVDZWEH-UHFFFAOYSA-N	1	0	353.426	1.359	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1	ZINC000363551826	989291980	/nfs/dbraw/zinc/29/19/80/989291980.db2.gz	UGMOCHKPDUHKJC-KRWDZBQOSA-N	1	0	353.466	1.952	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=O)NC2CC[NH+](C3CCC3)CC2)c1	ZINC000296610670	989325186	/nfs/dbraw/zinc/32/51/86/989325186.db2.gz	BKBFFEDQVKPEAN-UHFFFAOYSA-N	1	0	354.454	1.923	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1CCCN(c2nccc(OCC)n2)CC1	ZINC000296868266	989442806	/nfs/dbraw/zinc/44/28/06/989442806.db2.gz	KXMLTBCSOMDCDG-UHFFFAOYSA-N	1	0	374.489	1.052	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCC(c2nnc3n2CCCC3)CC1	ZINC000297081636	989472690	/nfs/dbraw/zinc/47/26/90/989472690.db2.gz	ZJKKHLZBPFSTOY-UHFFFAOYSA-N	1	0	358.490	1.459	20	30		FDEDRO
N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)C[NH+]1CCCC1	ZINC000873962487	989537650	/nfs/dbraw/zinc/53/76/50/989537650.db2.gz	CIRYRBDJCIHFEV-UHFFFAOYSA-N	1	0	352.442	1.471	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000364517770	989613330	/nfs/dbraw/zinc/61/33/30/989613330.db2.gz	KZMKGBBCCHVZCV-ZMYBRWDISA-N	1	0	366.465	1.648	20	30		FDEDRO
Cc1ccc(-n2nc(CCCNC(=O)C[NH+]3CCCC3)c(C#N)c2N)cc1	ZINC000874036538	989665083	/nfs/dbraw/zinc/66/50/83/989665083.db2.gz	HXSOGLQNAWEAIC-UHFFFAOYSA-N	1	0	366.469	1.779	20	30		FDEDRO
C[C@H](Nc1ccn(C2CC[NH+](C)CC2)n1)C(=O)Nc1cccc(C#N)c1	ZINC000364600984	989671787	/nfs/dbraw/zinc/67/17/87/989671787.db2.gz	FHMREMRYOPYTKM-AWEZNQCLSA-N	1	0	352.442	2.461	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)C2(N3CCN(C)CC3)CCCC2)n1	ZINC000364632638	989687848	/nfs/dbraw/zinc/68/78/48/989687848.db2.gz	QZQPDCZIJYIZMS-UHFFFAOYSA-N	1	0	357.502	1.425	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000297845560	989722936	/nfs/dbraw/zinc/72/29/36/989722936.db2.gz	OXMQJXURIBHBIK-LJQANCHMSA-N	1	0	358.486	1.142	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3ccccc3OCC#N)C2)CC1	ZINC000370424816	989733770	/nfs/dbraw/zinc/73/37/70/989733770.db2.gz	PUAXLHVHVQHBEN-QGZVFWFLSA-N	1	0	356.470	1.829	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)CC1	ZINC000370569633	989849263	/nfs/dbraw/zinc/84/92/63/989849263.db2.gz	PHTJSUYHTZLMOQ-RTBURBONSA-N	1	0	364.534	1.970	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cc(C#N)cn3C(C)(C)C)CC[C@H]21	ZINC000874173779	989878948	/nfs/dbraw/zinc/87/89/48/989878948.db2.gz	IOXQWKKZXNHARD-HUUCEWRRSA-N	1	0	357.458	1.606	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3OCC#N)CC[C@@H]21	ZINC000874175605	989886912	/nfs/dbraw/zinc/88/69/12/989886912.db2.gz	XTHGYBNZDPSLEK-WFASDCNBSA-N	1	0	360.389	1.219	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1	ZINC000298194001	989952476	/nfs/dbraw/zinc/95/24/76/989952476.db2.gz	FPMQGNHJNOOPSP-GOSISDBHSA-N	1	0	356.470	1.849	20	30		FDEDRO
CC1([NH+]2CCCCC2)CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1	ZINC000874280702	990025606	/nfs/dbraw/zinc/02/56/06/990025606.db2.gz	KHLWQTIFLAXJHC-UHFFFAOYSA-N	1	0	372.473	1.602	20	30		FDEDRO
CN1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccccc3OCC#N)C2)CC1	ZINC000365118407	990040994	/nfs/dbraw/zinc/04/09/94/990040994.db2.gz	ROQZBDKTICWPNJ-KRWDZBQOSA-N	1	0	356.470	1.689	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C	ZINC000874365166	990181916	/nfs/dbraw/zinc/18/19/16/990181916.db2.gz	QGKAEJMPJBIHAF-HOTGVXAUSA-N	1	0	356.426	1.591	20	30		FDEDRO
C#C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1	ZINC000874373529	990211259	/nfs/dbraw/zinc/21/12/59/990211259.db2.gz	CFBZAVZGHIHSPE-SHTZXODSSA-N	1	0	357.458	1.397	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000371119078	990262609	/nfs/dbraw/zinc/26/26/09/990262609.db2.gz	RLWRMKWETHRYMB-YWZLYKJASA-N	1	0	369.469	1.773	20	30		FDEDRO
N#CCOc1cccc(CC(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)c1	ZINC000371218389	990310827	/nfs/dbraw/zinc/31/08/27/990310827.db2.gz	GGQDLDXDNQSZMC-PKOBYXMFSA-N	1	0	357.454	1.749	20	30		FDEDRO
C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CNC(=O)c2ccc(C#N)cc2)C1	ZINC000371268956	990327816	/nfs/dbraw/zinc/32/78/16/990327816.db2.gz	PCMYJWSKYLPCMW-RBUKOAKNSA-N	1	0	362.433	1.502	20	30		FDEDRO
C#CCCOc1ccc(C[NH+]2CCC([C@@]3(C)NC(=O)NC3=O)CC2)cc1	ZINC000371324761	990359901	/nfs/dbraw/zinc/35/99/01/990359901.db2.gz	ADYXTLAMVCEGAL-HXUWFJFHSA-N	1	0	355.438	1.899	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc3c(c2)nnn3C)C1	ZINC000968716629	1015564864	/nfs/dbraw/zinc/56/48/64/1015564864.db2.gz	BXCWXOGHPIOZLA-MDZRGWNJSA-N	1	0	369.469	1.640	20	30		FDEDRO
C[C@@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1=O)c1cccc(C#N)c1	ZINC000371582446	990546019	/nfs/dbraw/zinc/54/60/19/990546019.db2.gz	VJOODPBTWOECTJ-APWZRJJASA-N	1	0	356.470	1.532	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000371639938	990590603	/nfs/dbraw/zinc/59/06/03/990590603.db2.gz	ZVHXCOJHWKMTKW-HNSVSWJLSA-N	1	0	370.453	1.905	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C	ZINC000371999638	990883392	/nfs/dbraw/zinc/88/33/92/990883392.db2.gz	QKJNUWOFPKVBLJ-ARFHVFGLSA-N	1	0	367.490	1.683	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1	ZINC000875123214	990928091	/nfs/dbraw/zinc/92/80/91/990928091.db2.gz	RWCIVHLMLDZXPP-QXAKKESOSA-N	1	0	371.481	1.483	20	30		FDEDRO
CN(CC[N@H+](C)C1CC1)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000372198227	990955880	/nfs/dbraw/zinc/95/58/80/990955880.db2.gz	XUHXTDZCBBMUFB-UHFFFAOYSA-N	1	0	356.474	1.658	20	30		FDEDRO
C[NH+]1CCC2(CCN(C(=O)NCCNc3ncccc3C#N)CC2)CC1	ZINC000875149110	990966572	/nfs/dbraw/zinc/96/65/72/990966572.db2.gz	MIOMXYRLGHNTRT-UHFFFAOYSA-N	1	0	356.474	1.883	20	30		FDEDRO
Cc1cc(NC(=O)CCN2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)no1	ZINC000372228654	990972599	/nfs/dbraw/zinc/97/25/99/990972599.db2.gz	ORISRJBNWZCECD-BFUOFWGJSA-N	1	0	365.393	1.657	20	30		FDEDRO
CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1CCC(=O)Nc1ccccc1C#N	ZINC000372273140	990990372	/nfs/dbraw/zinc/99/03/72/990990372.db2.gz	LCBOSNNSHSNTMK-HZPDHXFCSA-N	1	0	359.426	1.929	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	ZINC000875235256	991161008	/nfs/dbraw/zinc/16/10/08/991161008.db2.gz	JDQPZQYMDOOIPE-UHFFFAOYSA-N	1	0	352.523	1.237	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC(F)(F)[C@@H](C(=O)OCC)C2)CC1	ZINC000875246246	991185846	/nfs/dbraw/zinc/18/58/46/991185846.db2.gz	BAOYZBVXPPWBQX-CQSZACIVSA-N	1	0	359.417	1.867	20	30		FDEDRO
C=CC[N@@H+](CCN1CCOC[C@@H]1C)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000410365188	991266879	/nfs/dbraw/zinc/26/68/79/991266879.db2.gz	CNHSETFTXBJWJV-IRXDYDNUSA-N	1	0	356.474	1.932	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NC2CCC(C)([NH+](C)C)CC2)cc1C#N	ZINC000875343427	991359520	/nfs/dbraw/zinc/35/95/20/991359520.db2.gz	WDGSJYNGYGFQJP-UHFFFAOYSA-N	1	0	372.469	1.562	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO	ZINC000875477389	991610387	/nfs/dbraw/zinc/61/03/87/991610387.db2.gz	YIPWOTUGXKZVFX-RTBURBONSA-N	1	0	359.470	1.481	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CCCO1	ZINC000875533735	991708564	/nfs/dbraw/zinc/70/85/64/991708564.db2.gz	DEFYRHUSCGKHPY-DNVCBOLYSA-N	1	0	356.470	1.826	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)[C@H](O)c1cc(OC)ccc1OC	ZINC000875621887	991819343	/nfs/dbraw/zinc/81/93/43/991819343.db2.gz	BVSJVUOCABSBGQ-KSSFIOAISA-N	1	0	363.458	1.380	20	30		FDEDRO
C#Cc1ccc(CNC(=O)NC[C@]2(CO)COCC3(CCC3)N2C)cc1	ZINC000875630446	991831981	/nfs/dbraw/zinc/83/19/81/991831981.db2.gz	NXUCGNJKRGPYOS-FQEVSTJZSA-N	1	0	357.454	1.083	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@](C)(C#N)CN(C)C)[C@H](c2cnn(C)c2)C1	ZINC000875704464	991922984	/nfs/dbraw/zinc/92/29/84/991922984.db2.gz	DATVHOPZFITNFH-LNLFQRSKSA-N	1	0	360.506	1.194	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1	ZINC000875727781	991952750	/nfs/dbraw/zinc/95/27/50/991952750.db2.gz	CKQQNOLYSUHPPN-UHFFFAOYSA-N	1	0	356.470	1.896	20	30		FDEDRO
CN1CCC2(CC[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)C1=O	ZINC000373157218	991965295	/nfs/dbraw/zinc/96/52/95/991965295.db2.gz	BVGNNWSLYYMUCR-QGZVFWFLSA-N	1	0	352.438	1.608	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1	ZINC000410902942	991978596	/nfs/dbraw/zinc/97/85/96/991978596.db2.gz	ANQALPYCLDJAKO-ZWKOTPCHSA-N	1	0	365.518	1.760	20	30		FDEDRO
Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Oc2cccc(OCC#N)c2)cn1	ZINC000875792835	991999386	/nfs/dbraw/zinc/99/93/86/991999386.db2.gz	ZYCOQFRCOLWHMH-ZWKOTPCHSA-N	1	0	354.410	1.963	20	30		FDEDRO
Cc1cc(C)c(C#N)c(NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)n1	ZINC000875817025	992032024	/nfs/dbraw/zinc/03/20/24/992032024.db2.gz	GOKYUORAZCGRRC-DOTOQJQBSA-N	1	0	352.442	1.978	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC	ZINC000875913777	992186648	/nfs/dbraw/zinc/18/66/48/992186648.db2.gz	HPWSYIHZLLMNNV-HRBLRVMOSA-N	1	0	351.491	1.698	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1	ZINC000875919655	992192465	/nfs/dbraw/zinc/19/24/65/992192465.db2.gz	MZVPLYCMMNQDBK-MSOLQXFVSA-N	1	0	350.507	1.226	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1	ZINC000875925265	992197921	/nfs/dbraw/zinc/19/79/21/992197921.db2.gz	ONZYIOSKPVYQNM-KRWDZBQOSA-N	1	0	350.507	1.225	20	30		FDEDRO
C=CC[N@H+](CC1CCCCC1)[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O	ZINC000411263555	992297571	/nfs/dbraw/zinc/29/75/71/992297571.db2.gz	SWPJYCVPQJTTGU-CYBMUJFWSA-N	1	0	362.474	1.306	20	30		FDEDRO
COC(=O)C1CC(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000876123168	992341608	/nfs/dbraw/zinc/34/16/08/992341608.db2.gz	OJPBNZBCTKRWMV-UHFFFAOYSA-N	1	0	358.442	1.583	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCC[C@@H]([NH+]3CCOCC3)CC1)C2	ZINC000876278809	992518937	/nfs/dbraw/zinc/51/89/37/992518937.db2.gz	HYNFUWOFRIODIQ-WOJBJXKFSA-N	1	0	368.481	1.922	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1	ZINC000825872927	992582685	/nfs/dbraw/zinc/58/26/85/992582685.db2.gz	DPWUPCZAICHVKV-IBGZPJMESA-N	1	0	371.481	1.225	20	30		FDEDRO
CN(C)c1ccc(C(N)=[NH+]OCCOc2cccc(-c3nn[nH]n3)c2)cc1	ZINC000825875340	992592669	/nfs/dbraw/zinc/59/26/69/992592669.db2.gz	LNWUFQRPXKEDDA-UHFFFAOYSA-N	1	0	367.413	1.649	20	30		FDEDRO
COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1c(F)cc(C#N)cc1F	ZINC000876471121	992629614	/nfs/dbraw/zinc/62/96/14/992629614.db2.gz	BRYRJJZJJWYJDM-QGZVFWFLSA-N	1	0	353.369	1.256	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(c3nccnc3C)CC2)CC1	ZINC000374143922	992640978	/nfs/dbraw/zinc/64/09/78/992640978.db2.gz	NQMFJZIERBIYCU-UHFFFAOYSA-N	1	0	358.490	1.657	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC)CC(=O)Nc1ccc2c(c1)OCCO2	ZINC000876554445	992702248	/nfs/dbraw/zinc/70/22/48/992702248.db2.gz	NSNYGRGBVRHYFO-CYBMUJFWSA-N	1	0	367.833	1.715	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)N(C)Cc2ccccc2)CC1	ZINC000876603776	992734571	/nfs/dbraw/zinc/73/45/71/992734571.db2.gz	ACORAMCDUFKNSB-MRXNPFEDSA-N	1	0	364.877	1.853	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1	ZINC000876621045	992747552	/nfs/dbraw/zinc/74/75/52/992747552.db2.gz	UAZGVCJZDDHSLG-CABCVRRESA-N	1	0	351.834	1.890	20	30		FDEDRO
CCC1N=NC(=S)N1CCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000876680264	992790746	/nfs/dbraw/zinc/79/07/46/992790746.db2.gz	BIUWNGKIVMWEPW-OAHLLOKOSA-N	1	0	356.455	1.004	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(OC)cc1)N1CCOCC1	ZINC000876709960	992815145	/nfs/dbraw/zinc/81/51/45/992815145.db2.gz	CCEDMUHUCJNUAC-IAGOWNOFSA-N	1	0	367.877	1.655	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCN(C[C@H]2CCCO2)CC1	ZINC000876709582	992815219	/nfs/dbraw/zinc/81/52/19/992815219.db2.gz	VHLQNZLYVQZDCB-IEBWSBKVSA-N	1	0	354.454	1.068	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCCN1CCc2sccc2C1	ZINC000876736636	992853657	/nfs/dbraw/zinc/85/36/57/992853657.db2.gz	MHSBWTTXNWDDTI-IBGZPJMESA-N	1	0	366.490	1.981	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1	ZINC000876753215	992873633	/nfs/dbraw/zinc/87/36/33/992873633.db2.gz	IMZJRFYUBTWGMH-IMJJTQAJSA-N	1	0	370.925	1.295	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[N@H+](C)C1CCN(S(C)(=O)=O)CC1	ZINC000876809343	992922998	/nfs/dbraw/zinc/92/29/98/992922998.db2.gz	TVQRBZKCQFKDLW-UHFFFAOYSA-N	1	0	350.488	1.480	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCC[NH2+]CC2)s1	ZINC000876824253	992929131	/nfs/dbraw/zinc/92/91/31/992929131.db2.gz	ZBXMXCRADATABL-GFCCVEGCSA-N	1	0	357.501	1.013	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@@H]2CC[NH3+])s1	ZINC000876849340	992936551	/nfs/dbraw/zinc/93/65/51/992936551.db2.gz	YLYJOAJABOSXKN-CYBMUJFWSA-N	1	0	371.528	1.485	20	30		FDEDRO
CCOC(=O)N1CCCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876878117	992946281	/nfs/dbraw/zinc/94/62/81/992946281.db2.gz	RMAPMVBPLBBOTO-QGZVFWFLSA-N	1	0	356.426	1.436	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1	ZINC000876976306	992992720	/nfs/dbraw/zinc/99/27/20/992992720.db2.gz	NRBROOZBNXLIFV-IAGOWNOFSA-N	1	0	350.894	1.389	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[NH2+]C23CCC3)ccc1F	ZINC000877002860	993004170	/nfs/dbraw/zinc/00/41/70/993004170.db2.gz	FBWXDFCVBHANBW-OAHLLOKOSA-N	1	0	367.446	1.304	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)ccc1F	ZINC000877048955	993030227	/nfs/dbraw/zinc/03/02/27/993030227.db2.gz	QMGOOKFXNPWHEJ-YPMHNXCESA-N	1	0	355.435	1.160	20	30		FDEDRO
N#CCOc1ccc(CN2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)cc1	ZINC001137116710	993083129	/nfs/dbraw/zinc/08/31/29/993083129.db2.gz	NXDSALDZPKWXAP-PKOBYXMFSA-N	1	0	365.437	1.716	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CN(Cc2ccc(C)cc2)CCO1	ZINC000877248136	993144896	/nfs/dbraw/zinc/14/48/96/993144896.db2.gz	GTFRMACHEGYUIG-DLBZAZTESA-N	1	0	351.878	1.782	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@](C(N)=O)(c3ccccc3)C2)CC1	ZINC000413249788	993189041	/nfs/dbraw/zinc/18/90/41/993189041.db2.gz	ZOFHXUBNQMQMLL-OAQYLSRUSA-N	1	0	370.497	1.866	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[N@@H+]([C@@H](C)CO)CC2)c1	ZINC000375496535	993192591	/nfs/dbraw/zinc/19/25/91/993192591.db2.gz	PUKBOWMVPCMUHY-IBGZPJMESA-N	1	0	372.513	1.939	20	30		FDEDRO
CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1(C)C	ZINC000877297524	993194941	/nfs/dbraw/zinc/19/49/41/993194941.db2.gz	SZBGWDFBFVBWEI-VQIMIIECSA-N	1	0	357.458	1.134	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1	ZINC000413261773	993199862	/nfs/dbraw/zinc/19/98/62/993199862.db2.gz	JFAYZHPSKQGOAD-INIZCTEOSA-N	1	0	361.442	1.498	20	30		FDEDRO
COc1cccc([C@H](CNC(=O)[C@H](C)n2cnc(C#N)n2)[NH+]2CCCC2)c1	ZINC000466938030	993250790	/nfs/dbraw/zinc/25/07/90/993250790.db2.gz	KKVFFSNAWDHKSV-YOEHRIQHSA-N	1	0	368.441	1.673	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCc2c(C(=O)OC)ccc(OC)c2C1	ZINC000877381067	993262923	/nfs/dbraw/zinc/26/29/23/993262923.db2.gz	ZPLIXWDTBCZNKF-AWEZNQCLSA-N	1	0	352.818	1.836	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)ccc1F	ZINC000877396543	993269680	/nfs/dbraw/zinc/26/96/80/993269680.db2.gz	ZBYGHILGLZRGDS-RDJZCZTQSA-N	1	0	367.446	1.304	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC(=O)N(C)C	ZINC000968860865	1015771227	/nfs/dbraw/zinc/77/12/27/1015771227.db2.gz	AJYGWCWUXFRBNQ-BBWFWOEESA-N	1	0	351.491	1.417	20	30		FDEDRO
C#C[C@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccccc1	ZINC000825965068	993298044	/nfs/dbraw/zinc/29/80/44/993298044.db2.gz	SQMLWJFBOMAAIZ-SFHVURJKSA-N	1	0	356.470	1.603	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000467843529	993389638	/nfs/dbraw/zinc/38/96/38/993389638.db2.gz	XTSIODTXKOPDJK-SFHVURJKSA-N	1	0	368.481	1.649	20	30		FDEDRO
N#Cc1ccccc1N1CCC([NH2+]Cc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000877681079	993437783	/nfs/dbraw/zinc/43/77/83/993437783.db2.gz	DJWBQQKPIRXJKQ-UHFFFAOYSA-N	1	0	370.478	1.964	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nnc(C2CC2)[nH]1	ZINC001095556449	993444365	/nfs/dbraw/zinc/44/43/65/993444365.db2.gz	RVCKEAGEOBEOIQ-QZWWFDLISA-N	1	0	368.485	1.001	20	30		FDEDRO
C#C[C@@H](CO)NC(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1	ZINC000878007922	993605817	/nfs/dbraw/zinc/60/58/17/993605817.db2.gz	PEUSQTUMYODMHV-AWEZNQCLSA-N	1	0	350.850	1.598	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H](O)CC1(CO)CCCC1	ZINC000878186020	993772109	/nfs/dbraw/zinc/77/21/09/993772109.db2.gz	QMYHQKBDVJLERE-HOTGVXAUSA-N	1	0	359.474	1.162	20	30		FDEDRO
C=CC[C@@H](C(=O)OC)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1	ZINC000878290592	993883132	/nfs/dbraw/zinc/88/31/32/993883132.db2.gz	BEHHKEXQEULSFG-SFHVURJKSA-N	1	0	365.518	1.808	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCC(=O)NC2)C3)c1	ZINC001095663765	993924519	/nfs/dbraw/zinc/92/45/19/993924519.db2.gz	PHCUNCOBEKMHNI-MHORFTMASA-N	1	0	352.438	1.306	20	30		FDEDRO
C#CCn1ccc(CN(CC)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1	ZINC000878525712	993998099	/nfs/dbraw/zinc/99/80/99/993998099.db2.gz	DMRRSTXTBCEGHB-NRFANRHFSA-N	1	0	352.482	1.975	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1	ZINC000878686881	994119370	/nfs/dbraw/zinc/11/93/70/994119370.db2.gz	HDTCDBXNQUIAJH-HKUYNNGSSA-N	1	0	370.453	1.059	20	30		FDEDRO
C=C(Br)C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1	ZINC000965122617	1015849028	/nfs/dbraw/zinc/84/90/28/1015849028.db2.gz	YPWLEGQHKOWUTE-IXOVCMANSA-N	1	0	356.264	1.033	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C[C@H]1CNC(=O)OC(C)(C)C	ZINC000879211331	994639912	/nfs/dbraw/zinc/63/99/12/994639912.db2.gz	FOYUBAAFQMOLMQ-LPMFXHHGSA-N	1	0	364.490	1.887	20	30		FDEDRO
Cc1cc(S(=O)(=O)NCCCCCN2CC[NH2+]CC2)ccc1C#N	ZINC000923681790	994756287	/nfs/dbraw/zinc/75/62/87/994756287.db2.gz	QMWIEAXISJASQB-UHFFFAOYSA-N	1	0	350.488	1.221	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)CCc2cccc(C#N)c2)CC1	ZINC000879432734	994909506	/nfs/dbraw/zinc/90/95/06/994909506.db2.gz	FQZHUCCMEQQKCZ-FQEVSTJZSA-N	1	0	367.497	1.725	20	30		FDEDRO
C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+](C)CCc1cccc(C#N)c1	ZINC000879432537	994909577	/nfs/dbraw/zinc/90/95/77/994909577.db2.gz	CAJIBRGYMRTOAU-LLVKDONJSA-N	1	0	356.348	1.809	20	30		FDEDRO
C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)CCc1cccc(C#N)c1	ZINC000879434669	994911547	/nfs/dbraw/zinc/91/15/47/994911547.db2.gz	MOTXOMADZYMDEB-UHFFFAOYSA-N	1	0	359.451	1.759	20	30		FDEDRO
C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCCOC	ZINC001110900452	995422072	/nfs/dbraw/zinc/42/20/72/995422072.db2.gz	AHQQEEUWGLNLLT-MKXGPGLRSA-N	1	0	366.502	1.316	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H](C(C)(C)O)C2)CC1	ZINC000879963828	995476261	/nfs/dbraw/zinc/47/62/61/995476261.db2.gz	PVTPDJKZHJVHSQ-IRXDYDNUSA-N	1	0	350.507	1.162	20	30		FDEDRO
C=C(Cl)C[C@@H]1NC(=O)N(CC2([NH+]3CCCCC3)CCN(C)CC2)C1=O	ZINC000925328866	995500542	/nfs/dbraw/zinc/50/05/42/995500542.db2.gz	IRYLLYZWXITQNF-HNNXBMFYSA-N	1	0	368.909	2.000	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2[C@H]1CCN2CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000880138246	995674470	/nfs/dbraw/zinc/67/44/70/995674470.db2.gz	TVEHMPLYGTWFRA-MSOLQXFVSA-N	1	0	364.453	1.851	20	30		FDEDRO
N#Cc1ccc(CNC(=O)CN2CCC[C@H]([NH2+]C3CCOCC3)C2)cc1	ZINC000880209161	995722927	/nfs/dbraw/zinc/72/29/27/995722927.db2.gz	PCWLEKKXJHDOOH-IBGZPJMESA-N	1	0	356.470	1.407	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@]2(c3ccccc3)C[C@@H](O)C2)CC1	ZINC000880223152	995736846	/nfs/dbraw/zinc/73/68/46/995736846.db2.gz	VEVXBLZNQVGTME-IRFCIJBXSA-N	1	0	370.497	1.319	20	30		FDEDRO
C[NH+](C)CC[C@H](NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1cccnc1	ZINC000925903842	995812039	/nfs/dbraw/zinc/81/20/39/995812039.db2.gz	LJWSHLZNWHINLJ-ROUUACIJSA-N	1	0	356.474	1.456	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](CC[NH3+])C2)cc1	ZINC000925946624	995849169	/nfs/dbraw/zinc/84/91/69/995849169.db2.gz	MOXSFANFWFCRDG-CQSZACIVSA-N	1	0	366.487	1.696	20	30		FDEDRO
N#CCCn1ccc(NC(=O)NCc2ccc(CN3CC[NH2+]CC3)cc2)n1	ZINC000926038553	995900477	/nfs/dbraw/zinc/90/04/77/995900477.db2.gz	YGVSVOXOJNQZSK-UHFFFAOYSA-N	1	0	367.457	1.524	20	30		FDEDRO
C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O	ZINC000926143253	995935486	/nfs/dbraw/zinc/93/54/86/995935486.db2.gz	NEZNDAKURZSMGV-ZMYBMPLZSA-N	1	0	350.503	1.954	20	30		FDEDRO
N#Cc1cccc([C@@H](NC(=O)N2CCNCC[NH2+]CC2)C(F)(F)F)c1	ZINC000926190590	995969918	/nfs/dbraw/zinc/96/99/18/995969918.db2.gz	XJDZRZVHSIYNKE-CQSZACIVSA-N	1	0	355.364	1.366	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1	ZINC000926321537	996053562	/nfs/dbraw/zinc/05/35/62/996053562.db2.gz	QQKAMUHUNLAOOB-MAUKXSAKSA-N	1	0	354.454	1.516	20	30		FDEDRO
C#CC[N@H+](C)CCCN[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21	ZINC000926488935	996174160	/nfs/dbraw/zinc/17/41/60/996174160.db2.gz	COEULJGIMIMQQJ-MRXNPFEDSA-N	1	0	373.501	1.819	20	30		FDEDRO
Cc1cc(NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)nn1CCC#N	ZINC000777612206	996365366	/nfs/dbraw/zinc/36/53/66/996365366.db2.gz	AUDGFQWCEADOCE-INIZCTEOSA-N	1	0	360.462	1.870	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1	ZINC000887028233	996838241	/nfs/dbraw/zinc/83/82/41/996838241.db2.gz	PCPAZVDLZDCEDA-QGZVFWFLSA-N	1	0	373.453	1.216	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F	ZINC000887034296	996847175	/nfs/dbraw/zinc/84/71/75/996847175.db2.gz	PQYDCVBOZAVKOE-NSHDSACASA-N	1	0	369.343	1.137	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)c1	ZINC000887037769	996857445	/nfs/dbraw/zinc/85/74/45/996857445.db2.gz	CUKQOKFAONBNAL-HXUWFJFHSA-N	1	0	355.438	1.629	20	30		FDEDRO
C#CCC1([NH2+]CCC(=O)NCc2ccc(OC)cc2OC)CCOCC1	ZINC000887121884	996953549	/nfs/dbraw/zinc/95/35/49/996953549.db2.gz	AASLFRXRELBIBT-UHFFFAOYSA-N	1	0	360.454	1.872	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CCOCC1	ZINC000887123617	996954221	/nfs/dbraw/zinc/95/42/21/996954221.db2.gz	WSHCTUZCIUMRJL-UHFFFAOYSA-N	1	0	373.497	1.943	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)Nc2ccc(CN3CCOCC3)cc2)CCOCC1	ZINC000887124821	996955511	/nfs/dbraw/zinc/95/55/11/996955511.db2.gz	VXARIOJXZHKDHO-UHFFFAOYSA-N	1	0	371.481	1.619	20	30		FDEDRO
Cc1cccc(CN2CCO[C@H](CNC(=O)c3ccc(C#N)n3C)C2)c1	ZINC000826549914	997050509	/nfs/dbraw/zinc/05/05/09/997050509.db2.gz	CVPIAKLZYJQWSG-GOSISDBHSA-N	1	0	352.438	1.836	20	30		FDEDRO
CN1C(=O)C2(CCOCC2)NC12CC[NH+](Cc1ccc(C#N)cc1)CC2	ZINC000887335421	997173819	/nfs/dbraw/zinc/17/38/19/997173819.db2.gz	DNEDOYUZVOZQHW-UHFFFAOYSA-N	1	0	354.454	1.461	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCN1Cc1ccccc1	ZINC000333615859	997244524	/nfs/dbraw/zinc/24/45/24/997244524.db2.gz	YQXFKJILDFCFCQ-VNTMZGSJSA-N	1	0	367.497	1.794	20	30		FDEDRO
C#CCOc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1	ZINC000796482585	1016110819	/nfs/dbraw/zinc/11/08/19/1016110819.db2.gz	NSUKBHIDJLHPJS-FUHWJXTLSA-N	1	0	350.484	1.896	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NC[C@H]1CCCO[C@H]1c1ccccc1	ZINC000264073008	997394913	/nfs/dbraw/zinc/39/49/13/997394913.db2.gz	DRJMSHRBRZPZJL-MOPGFXCFSA-N	1	0	360.502	1.781	20	30		FDEDRO
COc1cc(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)ccc1OCC(N)=O	ZINC000264073038	997395979	/nfs/dbraw/zinc/39/59/79/997395979.db2.gz	DRXZZPFRDWJISM-UHFFFAOYSA-N	1	0	368.437	1.975	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NC[C@H](O)COc2ccc(F)cc2)cc1	ZINC000264095919	997401207	/nfs/dbraw/zinc/40/12/07/997401207.db2.gz	MOVDBOULUMZWIP-INIZCTEOSA-N	1	0	361.417	1.721	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1cccc(Cn2cccn2)c1	ZINC000264134132	997409649	/nfs/dbraw/zinc/40/96/49/997409649.db2.gz	YZXWDEMAOJWTCH-UHFFFAOYSA-N	1	0	356.474	1.058	20	30		FDEDRO
COc1ccc2cc(CNC(=[NH2+])NCCCN3CCOCC3)ccc2c1	ZINC000264135963	997411528	/nfs/dbraw/zinc/41/15/28/997411528.db2.gz	VDZWYDBQASQIIT-UHFFFAOYSA-N	1	0	356.470	1.975	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000264453072	997515758	/nfs/dbraw/zinc/51/57/58/997515758.db2.gz	CYWJQEADVPIDCD-UHFFFAOYSA-N	1	0	360.414	1.481	20	30		FDEDRO
C[NH+](C)[C@H]1CCCN(CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1	ZINC000264766468	997599645	/nfs/dbraw/zinc/59/96/45/997599645.db2.gz	ZRBKZVOUJFBYSJ-DZGCQCFKSA-N	1	0	353.426	1.538	20	30		FDEDRO
C#CCC1(NC(=O)NC[C@@H](C(CC)CC)[NH+]2CCOCC2)CCOCC1	ZINC000887666327	997619640	/nfs/dbraw/zinc/61/96/40/997619640.db2.gz	NHUJDIPYYQJGMC-SFHVURJKSA-N	1	0	365.518	1.995	20	30		FDEDRO
C#CCC1(NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)CCOCC1	ZINC000887681483	997645349	/nfs/dbraw/zinc/64/53/49/997645349.db2.gz	BPWIWDGRQGXOHZ-UHFFFAOYSA-N	1	0	359.470	1.999	20	30		FDEDRO
CN1CCN(C)[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000265001198	997671474	/nfs/dbraw/zinc/67/14/74/997671474.db2.gz	ZYCFXZORLKSTQY-IBGZPJMESA-N	1	0	352.486	1.799	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(C(=O)c2c(C)[nH]c3ccccc32)CC1	ZINC000265016026	997674559	/nfs/dbraw/zinc/67/45/59/997674559.db2.gz	NCZOJXDTXAXDOW-UHFFFAOYSA-N	1	0	352.438	1.374	20	30		FDEDRO
C#CC[C@H]1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1	ZINC000888016322	998022937	/nfs/dbraw/zinc/02/29/37/998022937.db2.gz	HWRKHKQMOLVWKP-SFHVURJKSA-N	1	0	355.486	1.649	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N2CCN(C)CC[N@H+](C)CC2)c(OC)c1	ZINC000888997723	998106202	/nfs/dbraw/zinc/10/62/02/998106202.db2.gz	JEXQNWHNTQSVBC-UHFFFAOYSA-N	1	0	361.486	1.508	20	30		FDEDRO
N#Cc1cc(F)cc(C2(C(=O)N3CC[C@@H]4[C@H]3CCC[N@H+]4CCO)CC2)c1	ZINC000889756553	998604955	/nfs/dbraw/zinc/60/49/55/998604955.db2.gz	OKWWHVWENNZEST-QZTJIDSGSA-N	1	0	357.429	1.787	20	30		FDEDRO
C=CCN(C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H](C)COC	ZINC000890129984	998832123	/nfs/dbraw/zinc/83/21/23/998832123.db2.gz	HFUOGUKRTCPAPH-QZTJIDSGSA-N	1	0	368.522	1.016	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(F)c1Br	ZINC000890300162	998897710	/nfs/dbraw/zinc/89/77/10/998897710.db2.gz	CZUYPRYROAGUKU-UHFFFAOYSA-N	1	0	370.222	1.598	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)N2CCOC[C@@H]2c2ccc(OC)cc2)C1	ZINC000890361223	998913341	/nfs/dbraw/zinc/91/33/41/998913341.db2.gz	MGIHVABEKQWSLD-IEBWSBKVSA-N	1	0	357.454	1.876	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNc3ccc(C#N)cn3)C2)CC[N@@H+]1C	ZINC001066688148	999024328	/nfs/dbraw/zinc/02/43/28/999024328.db2.gz	WDMLPLQSFHLJJG-IXDOHACOSA-N	1	0	357.458	1.323	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)Cc2ccccc2CC#N)CC1	ZINC000777390118	999054777	/nfs/dbraw/zinc/05/47/77/999054777.db2.gz	AJIAYYWEJSDUFY-UHFFFAOYSA-N	1	0	356.470	1.308	20	30		FDEDRO
CC[N@H+](C)C[C@H]1CCN(CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1	ZINC000266600892	999198212	/nfs/dbraw/zinc/19/82/12/999198212.db2.gz	DLKDITIGJCCKOI-ZBFHGGJFSA-N	1	0	367.453	1.785	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(NC(N)=O)CC2)c(OC)c1	ZINC000266863591	999251168	/nfs/dbraw/zinc/25/11/68/999251168.db2.gz	LFRHXXAVLBLUPV-MRXNPFEDSA-N	1	0	363.458	1.296	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)c(C(=O)OC)c2)CC1	ZINC000267014242	999287768	/nfs/dbraw/zinc/28/77/68/999287768.db2.gz	FCZJRRWBKMOUEP-UHFFFAOYSA-N	1	0	359.426	1.487	20	30		FDEDRO
CN(C)c1cc(CNC(=[NH2+])NCCCN2CCOCC2)c2ccccc2n1	ZINC000267415685	999329977	/nfs/dbraw/zinc/32/99/77/999329977.db2.gz	JFLWZBAQWXREOC-UHFFFAOYSA-N	1	0	370.501	1.427	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(C(=O)NCC(=O)OCC)CC1	ZINC000269660043	999471269	/nfs/dbraw/zinc/47/12/69/999471269.db2.gz	OITDUZCEGRVPBT-OAHLLOKOSA-N	1	0	367.490	1.191	20	30		FDEDRO
CN(C)c1cccc(CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)n1	ZINC000269926830	999487570	/nfs/dbraw/zinc/48/75/70/999487570.db2.gz	BVJFDYHVIMWFEM-OAHLLOKOSA-N	1	0	374.489	1.528	20	30		FDEDRO
Cc1cnccc1CCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000269994842	999497285	/nfs/dbraw/zinc/49/72/85/999497285.db2.gz	VWHVKGDOPNCNLM-INIZCTEOSA-N	1	0	359.474	1.813	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCc3ccc(C#N)cc32)CC1=O	ZINC000270147341	999519168	/nfs/dbraw/zinc/51/91/68/999519168.db2.gz	AAOOOWCUYNRASJ-MSOLQXFVSA-N	1	0	366.465	1.780	20	30		FDEDRO
C#CC[C@@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ccccc1	ZINC000270379895	999550095	/nfs/dbraw/zinc/55/00/95/999550095.db2.gz	VQACTYUGYPCHOL-MOPGFXCFSA-N	1	0	368.481	1.699	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1)C(=O)N(C)CCC#N	ZINC000270570677	999579023	/nfs/dbraw/zinc/57/90/23/999579023.db2.gz	BFEZIPPONKGJGY-CXMBCZLWSA-N	1	0	364.396	1.587	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nc3c(cc2C#N)CCCC3)CC1	ZINC000270889752	999629667	/nfs/dbraw/zinc/62/96/67/999629667.db2.gz	GHBDTNTZNGNXCI-SFHVURJKSA-N	1	0	353.470	1.575	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1ccc(OCC(=O)NC2CC2)cc1	ZINC000271628386	999718492	/nfs/dbraw/zinc/71/84/92/999718492.db2.gz	BAQSMSBYRUIUPD-OAHLLOKOSA-N	1	0	372.469	1.757	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1	ZINC000284386438	999821997	/nfs/dbraw/zinc/82/19/97/999821997.db2.gz	HLRPFWFZPIILTR-UHFFFAOYSA-N	1	0	373.497	1.785	20	30		FDEDRO
Cn1nccc1COCC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000284427138	999830740	/nfs/dbraw/zinc/83/07/40/999830740.db2.gz	FWTVFQXEFYMNLJ-UHFFFAOYSA-N	1	0	367.453	1.543	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)NCCCC[NH+]1CCOCC1	ZINC000284636412	999859792	/nfs/dbraw/zinc/85/97/92/999859792.db2.gz	LMXNFMNWNDFWLH-UHFFFAOYSA-N	1	0	373.497	1.472	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1	ZINC000285291138	999908935	/nfs/dbraw/zinc/90/89/35/999908935.db2.gz	RPVUYGDKOUPAJU-GOSISDBHSA-N	1	0	368.481	1.897	20	30		FDEDRO
COc1cc(/C=C/C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)ccc1OCC#N	ZINC000285344128	999910112	/nfs/dbraw/zinc/91/01/12/999910112.db2.gz	TXDVCKGWBRLTSN-XQTSXYSPSA-N	1	0	371.437	1.542	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1	ZINC000285473196	999913476	/nfs/dbraw/zinc/91/34/76/999913476.db2.gz	NXOYBJQOUHRNHD-KRWDZBQOSA-N	1	0	374.460	1.751	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000286102337	999938826	/nfs/dbraw/zinc/93/88/26/999938826.db2.gz	URPNRJLCYJIUCT-MRXNPFEDSA-N	1	0	374.460	1.751	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1	ZINC000286782549	999950875	/nfs/dbraw/zinc/95/08/75/999950875.db2.gz	MRCZUKCXLCOWCP-INIZCTEOSA-N	1	0	359.470	1.558	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCCCCC#N	ZINC000286818207	999951193	/nfs/dbraw/zinc/95/11/93/999951193.db2.gz	WSGIMWOLWLGYRW-WMZOPIPTSA-N	1	0	356.470	1.823	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCc3c(F)cccc3C2)CC1	ZINC000286857524	999952896	/nfs/dbraw/zinc/95/28/96/999952896.db2.gz	ZHALITPBRSUDCV-UHFFFAOYSA-N	1	0	359.445	1.867	20	30		FDEDRO
N#CCCCNC(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000287014580	999954081	/nfs/dbraw/zinc/95/40/81/999954081.db2.gz	ZLOOHXYDBGANCA-LJQANCHMSA-N	1	0	355.486	1.892	20	30		FDEDRO
C#CC[C@H](Cc1ccccc1)NC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O	ZINC000287324066	999956436	/nfs/dbraw/zinc/95/64/36/999956436.db2.gz	KOBKIALYVHXYBB-QZTJIDSGSA-N	1	0	356.470	1.260	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1	ZINC000287388896	999957161	/nfs/dbraw/zinc/95/71/61/999957161.db2.gz	OZIQLIBOZKXBIW-IRXDYDNUSA-N	1	0	359.470	1.857	20	30		FDEDRO
C[C@H]1[C@H](NC(=O)NCCn2cnc(C#N)n2)CC[N@@H+]1Cc1ccccc1	ZINC000287986652	999979315	/nfs/dbraw/zinc/97/93/15/999979315.db2.gz	WVHQGCIVOMULPD-GOEBONIOSA-N	1	0	353.430	1.112	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CCOCC1	ZINC000288504254	1000022182	/nfs/dbraw/zinc/02/21/82/1000022182.db2.gz	QLTRPZUWUCXWFS-MRXNPFEDSA-N	1	0	374.460	1.751	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1	ZINC000290676054	1000152624	/nfs/dbraw/zinc/15/26/24/1000152624.db2.gz	GRTWANGQMSDWFR-GOSISDBHSA-N	1	0	354.454	1.650	20	30		FDEDRO
CO[C@@H]1COC[C@H]1n1cc(CNC(=[NH2+])Nc2cccc(C(C)C)c2)nn1	ZINC000290676893	1000152683	/nfs/dbraw/zinc/15/26/83/1000152683.db2.gz	POTIVSUYLRONTG-IAGOWNOFSA-N	1	0	358.446	1.915	20	30		FDEDRO
CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000291907969	1000199583	/nfs/dbraw/zinc/19/95/83/1000199583.db2.gz	MYBDLSTWOPNTOV-JKSUJKDBSA-N	1	0	373.505	1.689	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CCCCC[C@H]([NH3+])C3)cc21	ZINC000927807893	1001068877	/nfs/dbraw/zinc/06/88/77/1001068877.db2.gz	LJJUXDMTEXRIDE-HNNXBMFYSA-N	1	0	355.442	1.891	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]nc1[C@@H]1CCCO1)C2	ZINC001110937809	1001290120	/nfs/dbraw/zinc/29/01/20/1001290120.db2.gz	KENYLIWVJHGKJY-SIXLDLHFSA-N	1	0	360.458	1.799	20	30		FDEDRO
C=CCCC[C@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C(=O)OC	ZINC000928314512	1001490501	/nfs/dbraw/zinc/49/05/01/1001490501.db2.gz	SRGRHVGHDYLRRN-INIZCTEOSA-N	1	0	360.458	1.461	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CN2CC[C@H](c3ccccc3)NC2=O)CC1	ZINC000928648483	1001606418	/nfs/dbraw/zinc/60/64/18/1001606418.db2.gz	LUSNEWIGSFXIIM-GOSISDBHSA-N	1	0	354.454	1.357	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)CC1	ZINC000928648030	1001606489	/nfs/dbraw/zinc/60/64/89/1001606489.db2.gz	CWKNZYYNVBOFRP-IBGZPJMESA-N	1	0	353.466	1.881	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccc(=O)n(-c3cccc(F)c3)c2)CC1	ZINC000928656230	1001611816	/nfs/dbraw/zinc/61/18/16/1001611816.db2.gz	PNHKJSAUQOOWSB-UHFFFAOYSA-N	1	0	353.397	1.804	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H](Cc2ccc(F)cc2)n2nnnc2C)CC1	ZINC000928657196	1001612706	/nfs/dbraw/zinc/61/27/06/1001612706.db2.gz	RKXCEQZIXVFAIA-GOSISDBHSA-N	1	0	370.432	1.118	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CCCOc2ccc(C#N)cc2OC)CC1	ZINC000928656697	1001612739	/nfs/dbraw/zinc/61/27/39/1001612739.db2.gz	FIIDPARJVUVQDP-UHFFFAOYSA-N	1	0	355.438	1.940	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Cc2[nH]c(C(C)=O)c(C)c2C(=O)OC)CC1	ZINC000928658391	1001613902	/nfs/dbraw/zinc/61/39/02/1001613902.db2.gz	IWBYXWFALOHONP-UHFFFAOYSA-N	1	0	359.426	1.069	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)CC1	ZINC000928659272	1001614755	/nfs/dbraw/zinc/61/47/55/1001614755.db2.gz	JEQUBMRCELIKIM-UHFFFAOYSA-N	1	0	351.454	1.982	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Cn2cc(C=O)c(-c3ccccc3)n2)CC1	ZINC000928660615	1001615716	/nfs/dbraw/zinc/61/57/16/1001615716.db2.gz	RSPUQGIDFOLJQP-UHFFFAOYSA-N	1	0	350.422	1.576	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)CC1	ZINC000928661568	1001616401	/nfs/dbraw/zinc/61/64/01/1001616401.db2.gz	YYWTXGRBXVMQAO-UHFFFAOYSA-N	1	0	354.406	1.694	20	30		FDEDRO
C[N@H+](CC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1)[C@H]1CCSC1	ZINC000928718395	1001635174	/nfs/dbraw/zinc/63/51/74/1001635174.db2.gz	AKYXFVCHVVZWQI-HOTGVXAUSA-N	1	0	359.499	1.793	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCN(CC(F)F)C1)C2	ZINC001110953629	1001705394	/nfs/dbraw/zinc/70/53/94/1001705394.db2.gz	AKWCCHRUBKKDBD-VQHPVUNQSA-N	1	0	371.472	1.888	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H](c1cccs1)C1CC1)C1CC[NH+](C)CC1	ZINC000929275488	1001890604	/nfs/dbraw/zinc/89/06/04/1001890604.db2.gz	CLSSFWJBAHWAFM-KRWDZBQOSA-N	1	0	359.495	1.871	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1	ZINC000929363255	1001970325	/nfs/dbraw/zinc/97/03/25/1001970325.db2.gz	OLYPSCKZQUOLEP-UHFFFAOYSA-N	1	0	356.470	1.313	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCS(N)(=O)=O)C2	ZINC001110967800	1002017903	/nfs/dbraw/zinc/01/79/03/1002017903.db2.gz	FGHNHWVXGLPNBX-OAGGEKHMSA-N	1	0	359.536	1.747	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)NCc1cccc(C[NH+](C)C)c1	ZINC000929499066	1002125431	/nfs/dbraw/zinc/12/54/31/1002125431.db2.gz	LFYUMYLKARXFLO-UHFFFAOYSA-N	1	0	370.478	1.956	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H](C)COc1ccccc1)C1CC[NH+](C)CC1	ZINC000929601227	1002249357	/nfs/dbraw/zinc/24/93/57/1002249357.db2.gz	LEYNRJQEMRMBRR-MRXNPFEDSA-N	1	0	357.454	1.126	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CCn2cncn2)CC1	ZINC000948385883	1002291560	/nfs/dbraw/zinc/29/15/60/1002291560.db2.gz	QMQRHFNPLAKOQY-KURKYZTESA-N	1	0	361.490	1.572	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[N@H+]2CCc3nn(CC)c(=O)cc3C2)cc1	ZINC000929753862	1002403452	/nfs/dbraw/zinc/40/34/52/1002403452.db2.gz	XMEDHZUTWIGNFT-UHFFFAOYSA-N	1	0	350.422	1.631	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCOCCOCC)C2	ZINC001111276511	1002413233	/nfs/dbraw/zinc/41/32/33/1002413233.db2.gz	YHDPHVHJGQBBCN-KURKYZTESA-N	1	0	354.491	1.744	20	30		FDEDRO
CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CCC[N@H+](CC#Cc2ccccc2)CC1	ZINC000948779950	1002673029	/nfs/dbraw/zinc/67/30/29/1002673029.db2.gz	YBCGLAWZVVZQCF-QRVBRYPASA-N	1	0	353.466	1.472	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](O)COCCOC)CC1	ZINC001110983700	1002929576	/nfs/dbraw/zinc/92/95/76/1002929576.db2.gz	WRLVCWWVUXPPOV-MKXGPGLRSA-N	1	0	366.502	1.478	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1	ZINC000949018102	1002936941	/nfs/dbraw/zinc/93/69/41/1002936941.db2.gz	WGCWOGJNVXZJAL-XYPHTWIQSA-N	1	0	357.458	1.336	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3CC)[C@@H](O)C2)CC1	ZINC000966082197	1016728651	/nfs/dbraw/zinc/72/86/51/1016728651.db2.gz	XLSNOROCDAKBKZ-SQNIBIBYSA-N	1	0	363.502	1.295	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC1CCC(C)([NH+]2CCCC2)CC1)[C@@H]1CCCO1	ZINC000930470150	1003174886	/nfs/dbraw/zinc/17/48/86/1003174886.db2.gz	MVRWZFLGSUUWQX-ASPXRTSYSA-N	1	0	361.486	1.197	20	30		FDEDRO
C#CCC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3C3CCOCC3)CC2)C1	ZINC000949412020	1003312410	/nfs/dbraw/zinc/31/24/10/1003312410.db2.gz	OKBHEDLITBMDHY-RBUKOAKNSA-N	1	0	360.498	1.766	20	30		FDEDRO
C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)CNC(=O)C1	ZINC001095806486	1003362308	/nfs/dbraw/zinc/36/23/08/1003362308.db2.gz	GQALLNSKECXCHW-NHAYFPRASA-N	1	0	352.438	1.306	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)C[N@H+]([C@H](C)COC)CCO2	ZINC000949476836	1003379060	/nfs/dbraw/zinc/37/90/60/1003379060.db2.gz	KJFXIIIARYJUOW-ZACQAIPSSA-N	1	0	352.475	1.306	20	30		FDEDRO
C#CCC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)CC2)C1	ZINC000949480670	1003384874	/nfs/dbraw/zinc/38/48/74/1003384874.db2.gz	WWPMBVPGAXVQSF-ZWKOTPCHSA-N	1	0	356.470	1.240	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC1)C[N@H+]([C@H](C)COC)CCO2	ZINC000949493327	1003397826	/nfs/dbraw/zinc/39/78/26/1003397826.db2.gz	SUPSRSCDGMGPBP-SQNIBIBYSA-N	1	0	366.502	1.696	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(Br)[nH]c1=O	ZINC000930702830	1003414806	/nfs/dbraw/zinc/41/48/06/1003414806.db2.gz	JZIKQUWYLXHKQX-UHFFFAOYSA-N	1	0	355.236	1.857	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CCN(Cc2ccccc2)C1=O	ZINC000930705888	1003418293	/nfs/dbraw/zinc/41/82/93/1003418293.db2.gz	MJUBNOXQXORBAT-GOSISDBHSA-N	1	0	356.470	1.729	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H]1CCCC12CCOCC2)C1CC[NH+](C)CC1	ZINC000930783779	1003499442	/nfs/dbraw/zinc/49/94/42/1003499442.db2.gz	XETDWVVDSIRNKF-KRWDZBQOSA-N	1	0	361.486	1.008	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000966335629	1016784708	/nfs/dbraw/zinc/78/47/08/1016784708.db2.gz	VFWRHGCBCONASO-BFYDXBDKSA-N	1	0	371.485	1.537	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[NH+]2CCN(CCOCCOC)CC2)cc1	ZINC000930863839	1003602619	/nfs/dbraw/zinc/60/26/19/1003602619.db2.gz	BZVYFTYEVSVLNV-UHFFFAOYSA-N	1	0	359.470	1.277	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCO[C@@H]2CCOC2)cn1	ZINC001111295550	1003723717	/nfs/dbraw/zinc/72/37/17/1003723717.db2.gz	UQHWFOFBCGOYJX-WTGUMLROSA-N	1	0	369.465	1.594	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1	ZINC000931083574	1003859479	/nfs/dbraw/zinc/85/94/79/1003859479.db2.gz	YURQUHUXDQELMK-MELADBBJSA-N	1	0	362.455	1.398	20	30		FDEDRO
C#CC1(O)CC[NH+](C[C@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)CC1	ZINC000931153430	1003927776	/nfs/dbraw/zinc/92/77/76/1003927776.db2.gz	GQXQAQZOCBUVHX-VQIMIIECSA-N	1	0	364.486	1.863	20	30		FDEDRO
Cc1c(NC(=O)NCC#CC[NH+](C)C)nnn1CCOc1ccc(F)cc1	ZINC000931303927	1004039047	/nfs/dbraw/zinc/03/90/47/1004039047.db2.gz	LURGWHJRHCZMGF-UHFFFAOYSA-N	1	0	374.420	1.491	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)CN2CC[NH+](CCc3ccncc3)CC2)cc1	ZINC000931346674	1004075357	/nfs/dbraw/zinc/07/53/57/1004075357.db2.gz	KJNABPNYZFVWRG-HXUWFJFHSA-N	1	0	366.465	1.553	20	30		FDEDRO
C[NH+](C)CC1(O)CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000931483552	1004200117	/nfs/dbraw/zinc/20/01/17/1004200117.db2.gz	HWUQHZPROJKWKN-UHFFFAOYSA-N	1	0	350.850	1.539	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)NCc1cc(C#N)ccc1F)[N@@H+]1CCC[C@H](C)C1	ZINC000931593239	1004296260	/nfs/dbraw/zinc/29/62/60/1004296260.db2.gz	VUJSKYABJMSJJO-KBPBESRZSA-N	1	0	360.433	1.550	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)Nc1ccc(CS(=O)(=O)CC)cc1	ZINC000931702091	1004427494	/nfs/dbraw/zinc/42/74/94/1004427494.db2.gz	BCZDPVNSGDHQMV-UHFFFAOYSA-N	1	0	351.472	1.698	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1	ZINC000947072213	1004544125	/nfs/dbraw/zinc/54/41/25/1004544125.db2.gz	BNQOIIBHAWCPIG-KSZLIROESA-N	1	0	363.502	1.415	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC[C@H]1C)C2	ZINC001111020793	1004626291	/nfs/dbraw/zinc/62/62/91/1004626291.db2.gz	JNESXAVGGFZCCG-MKXGPGLRSA-N	1	0	374.529	1.393	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc[nH]c1C1CCC1)C2	ZINC001111021863	1004706236	/nfs/dbraw/zinc/70/62/36/1004706236.db2.gz	HDFFJQKAMYUYEK-UWIFEVILSA-N	1	0	368.481	1.755	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([C@@]2(C)COC(=O)N2)C1	ZINC000932028849	1004717415	/nfs/dbraw/zinc/71/74/15/1004717415.db2.gz	JGMWSHRWKTUXSL-DTTOXWODSA-N	1	0	350.463	1.640	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]([C@]2(C)COC(=O)N2)C1	ZINC000932028853	1004717524	/nfs/dbraw/zinc/71/75/24/1004717524.db2.gz	JGMWSHRWKTUXSL-NONVJHHQSA-N	1	0	350.463	1.640	20	30		FDEDRO
C[C@]1(C2CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)COC(=O)N1	ZINC000932090242	1004764277	/nfs/dbraw/zinc/76/42/77/1004764277.db2.gz	WTRAUTWHBINIOH-QFBILLFUSA-N	1	0	359.426	1.508	20	30		FDEDRO
C[C@@]1(C2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)COC(=O)N1	ZINC000932090238	1004764286	/nfs/dbraw/zinc/76/42/86/1004764286.db2.gz	WTRAUTWHBINIOH-APWZRJJASA-N	1	0	359.426	1.508	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(C)c(C#N)c2)[C@@H](C)C1	ZINC000932477847	1004980296	/nfs/dbraw/zinc/98/02/96/1004980296.db2.gz	BLAKFKWNOQUTPA-YJBOKZPZSA-N	1	0	356.470	1.672	20	30		FDEDRO
COc1ncc(NC(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)cc1C#N	ZINC000932508428	1004992041	/nfs/dbraw/zinc/99/20/41/1004992041.db2.gz	AWWMGMQUTFZQRG-UHFFFAOYSA-N	1	0	361.446	1.973	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[NH+]2CCN(c3cccc4[nH]c(=O)[nH]c43)CC2)cc1	ZINC000932512775	1004995614	/nfs/dbraw/zinc/99/56/14/1004995614.db2.gz	BEVFPBCIBNTBCS-GOSISDBHSA-N	1	0	363.421	1.996	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccc(CCC#N)cc2)CC1	ZINC000932573155	1005018851	/nfs/dbraw/zinc/01/88/51/1005018851.db2.gz	PPHZDYZOKNUQRY-SFHVURJKSA-N	1	0	369.469	1.913	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1	ZINC000947089894	1005194756	/nfs/dbraw/zinc/19/47/56/1005194756.db2.gz	PTEBSWJWSGVCEL-IKGGRYGDSA-N	1	0	351.491	1.271	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H](CC#N)C(F)(F)F)C1	ZINC000932914527	1005242293	/nfs/dbraw/zinc/24/22/93/1005242293.db2.gz	CJTZNMBUXZITGF-OLZOCXBDSA-N	1	0	350.385	1.973	20	30		FDEDRO
C[C@H](O)[C@H](O)C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F	ZINC000932945561	1005263710	/nfs/dbraw/zinc/26/37/10/1005263710.db2.gz	ZMMZZQSSHTXSTD-DKXJUACHSA-N	1	0	357.241	1.831	20	30		FDEDRO
CCC1(CC)CNC(=O)[C@H]1[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000933289596	1005533933	/nfs/dbraw/zinc/53/39/33/1005533933.db2.gz	QBJFWZXBTLWVEA-DLBZAZTESA-N	1	0	354.454	1.948	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCOC[C@@H]2C[C@H]2CCOC2)cc1	ZINC000933665991	1005602853	/nfs/dbraw/zinc/60/28/53/1005602853.db2.gz	LAKUKUNDYUAHQH-CEXWTWQISA-N	1	0	360.454	1.620	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnnc1)C2	ZINC001111062142	1005641008	/nfs/dbraw/zinc/64/10/08/1005641008.db2.gz	XZAPVSRUKCQTQK-HPBDAGMYSA-N	1	0	371.485	1.625	20	30		FDEDRO
COc1cc(C#N)ccc1C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000933826929	1005642935	/nfs/dbraw/zinc/64/29/35/1005642935.db2.gz	QSRFLCKROYHLTC-OAQYLSRUSA-N	1	0	365.433	1.934	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@](O)(C2(C(=O)OC)CCC2)C1	ZINC000933842738	1005646524	/nfs/dbraw/zinc/64/65/24/1005646524.db2.gz	SBBVTOTVUCXQLY-IBGZPJMESA-N	1	0	352.475	1.581	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@@H](C)[C@H](OC)c2ccccc2Cl)CC1	ZINC000778243384	1005742304	/nfs/dbraw/zinc/74/23/04/1005742304.db2.gz	IOCJWGNGYATTQR-KXBFYZLASA-N	1	0	363.889	1.783	20	30		FDEDRO
C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000934466746	1005749221	/nfs/dbraw/zinc/74/92/21/1005749221.db2.gz	MFHJTPRGSGPQJV-DZGCQCFKSA-N	1	0	351.472	1.032	20	30		FDEDRO
COc1cc(C#N)ccc1C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C	ZINC000935116498	1005851609	/nfs/dbraw/zinc/85/16/09/1005851609.db2.gz	OJNBSJTZCPUSTH-INIZCTEOSA-N	1	0	360.458	1.389	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCc3ccc(O)c(F)c3)=[NH+]C[C@H]2C1	ZINC000089120941	1006011604	/nfs/dbraw/zinc/01/16/04/1006011604.db2.gz	UHEXPRYYMCYZJB-ZDUSSCGKSA-N	1	0	364.421	1.912	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C(=O)CCc2ccc(OCC[NH+](C)C)cc2)C1=O	ZINC000935799497	1006024024	/nfs/dbraw/zinc/02/40/24/1006024024.db2.gz	ZMKZHVSIADMZAC-IBGZPJMESA-N	1	0	373.497	1.805	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1oc(C3CC3)nc1C)C2	ZINC001111120474	1006295298	/nfs/dbraw/zinc/29/52/98/1006295298.db2.gz	UNIHXKCYXWZMOE-MIGQKNRLSA-N	1	0	370.453	1.333	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(C)s1)C2	ZINC001111120483	1006295393	/nfs/dbraw/zinc/29/53/93/1006295393.db2.gz	UOEVUVBQWYKOAX-HHARLNAUSA-N	1	0	371.506	1.631	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)C[NH+]2CCC(C)CC2)C1	ZINC000954392720	1006684205	/nfs/dbraw/zinc/68/42/05/1006684205.db2.gz	YSNJMVVZODKKHC-HKUYNNGSSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1	ZINC000954403992	1006718825	/nfs/dbraw/zinc/71/88/25/1006718825.db2.gz	HVFYTSTYYFWRDU-SJORKVTESA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1	ZINC000954814854	1007037884	/nfs/dbraw/zinc/03/78/84/1007037884.db2.gz	MKQQZPKKMCUSJR-SQNIBIBYSA-N	1	0	361.486	1.121	20	30		FDEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)Nc1cccc(C#N)c1)CC2	ZINC001202781004	1007224086	/nfs/dbraw/zinc/22/40/86/1007224086.db2.gz	AQEHZGCCSSCZOF-UHFFFAOYSA-N	1	0	355.442	1.767	20	30		FDEDRO
CN1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)C1=O	ZINC001095888856	1007347785	/nfs/dbraw/zinc/34/77/85/1007347785.db2.gz	ISKIAJUGMWGCQC-OWSLCNJRSA-N	1	0	352.438	1.258	20	30		FDEDRO
CN(C)C(=O)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)CC1	ZINC001111264193	1007352483	/nfs/dbraw/zinc/35/24/83/1007352483.db2.gz	OHMNVXVLXQATIA-KURKYZTESA-N	1	0	366.465	1.648	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc(OCC3CC3)cn1)C2	ZINC001111271328	1007448858	/nfs/dbraw/zinc/44/88/58/1007448858.db2.gz	NCOJCDHWTVZGPQ-NUJGCVRESA-N	1	0	372.469	1.803	20	30		FDEDRO
C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC000956989702	1007455512	/nfs/dbraw/zinc/45/55/12/1007455512.db2.gz	HDOPIYAXMOSHLQ-CZUORRHYSA-N	1	0	355.442	1.091	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3ccc(C)o3)C[C@H]2C)CC1	ZINC000947358644	1007529545	/nfs/dbraw/zinc/52/95/45/1007529545.db2.gz	RXCHPDBQEGLFGL-RHSMWYFYSA-N	1	0	357.454	1.510	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@](C)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000957014316	1007532695	/nfs/dbraw/zinc/53/26/95/1007532695.db2.gz	XCODVDVCORJIHP-FPDPHYFHSA-N	1	0	353.466	1.729	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)nc1	ZINC000956127563	1007903218	/nfs/dbraw/zinc/90/32/18/1007903218.db2.gz	QOIZEABOHHITAF-JENIJYKNSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@](C)(NC(=O)C2CC[NH+](C)CC2)C1	ZINC000957166545	1007927642	/nfs/dbraw/zinc/92/76/42/1007927642.db2.gz	RGFUIRWNPNIBIA-ZWOKBUDYSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2	ZINC000956235068	1007962146	/nfs/dbraw/zinc/96/21/46/1007962146.db2.gz	ZAOSFQULPFVBEO-BBWFWOEESA-N	1	0	361.486	1.313	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000957202479	1007990530	/nfs/dbraw/zinc/99/05/30/1007990530.db2.gz	IJTKOMVBGOUWTL-UWVAXJGDSA-N	1	0	368.437	1.646	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC(C)(NC(=O)c3cc(C#N)c[nH]3)CC2)CC[N@@H+]1C	ZINC000956333508	1008028540	/nfs/dbraw/zinc/02/85/40/1008028540.db2.gz	LXRQFAKNSXBTRL-UKRRQHHQSA-N	1	0	357.458	1.337	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(C)(NC(=O)[C@@H]3C[C@H]3C3CC3)CC2)CC1	ZINC000956384351	1008070370	/nfs/dbraw/zinc/07/03/70/1008070370.db2.gz	KJRRNSHCUHEYCZ-RBUKOAKNSA-N	1	0	371.525	1.875	20	30		FDEDRO
C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1	ZINC000249151214	1008106070	/nfs/dbraw/zinc/10/60/70/1008106070.db2.gz	HIBGUZKOFLZNGR-BBRMVZONSA-N	1	0	374.416	1.609	20	30		FDEDRO
C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000249175113	1008120266	/nfs/dbraw/zinc/12/02/66/1008120266.db2.gz	LZDOGXAOZIWPNF-IUODEOHRSA-N	1	0	362.405	1.465	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1	ZINC000956501068	1008184402	/nfs/dbraw/zinc/18/44/02/1008184402.db2.gz	NICKIFWFIAJKAU-BBWFWOEESA-N	1	0	363.502	1.417	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC000957361836	1008224497	/nfs/dbraw/zinc/22/44/97/1008224497.db2.gz	RBJPZODCZJVZPU-SJKOYZFVSA-N	1	0	362.393	1.425	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCC[N@H+]3CCC)C2)nc1	ZINC000957457291	1008308527	/nfs/dbraw/zinc/30/85/27/1008308527.db2.gz	NXXDXYBYIWCEEE-LZQZEXGQSA-N	1	0	368.481	1.514	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1	ZINC000949936946	1008540194	/nfs/dbraw/zinc/54/01/94/1008540194.db2.gz	QJAGCKCXGURVMJ-QGPMSJSTSA-N	1	0	371.485	1.441	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCc3ccc4c(c3)OCO4)=[NH+]C[C@@H]2C1	ZINC000305032796	1008561279	/nfs/dbraw/zinc/56/12/79/1008561279.db2.gz	ROLYBZGGKLMOJS-CQSZACIVSA-N	1	0	374.441	1.796	20	30		FDEDRO
C=CCn1cc(C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)nn1	ZINC000648730425	1008563311	/nfs/dbraw/zinc/56/33/11/1008563311.db2.gz	ANPHKMKYQKZCPS-LJQANCHMSA-N	1	0	368.485	1.573	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2C2CCC2)CC1	ZINC000950210382	1008847339	/nfs/dbraw/zinc/84/73/39/1008847339.db2.gz	GXRQWJKUZWONOY-GBESFXJTSA-N	1	0	357.498	1.485	20	30		FDEDRO
COc1ccc(CNC(=O)N(C)CCCN2CC[NH+](C)CC2)cc1C#N	ZINC000779366380	1008890669	/nfs/dbraw/zinc/89/06/69/1008890669.db2.gz	RUGTXDITIJPKCE-UHFFFAOYSA-N	1	0	359.474	1.346	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1	ZINC001006455051	1008989164	/nfs/dbraw/zinc/98/91/64/1008989164.db2.gz	FWYBSNANQYSMLT-PVAVHDDUSA-N	1	0	361.486	1.027	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCOCC(F)(F)F)C[C@H]21	ZINC001114857684	1009420840	/nfs/dbraw/zinc/42/08/40/1009420840.db2.gz	WWAJIMQEMPENJT-MRLBHPIUSA-N	1	0	362.392	1.593	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2oc(CC)cc2C)C1	ZINC000950648563	1009468643	/nfs/dbraw/zinc/46/86/43/1009468643.db2.gz	QUFTZOBALIPKIO-NXHRZFHOSA-N	1	0	371.481	1.825	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC000950673610	1009495946	/nfs/dbraw/zinc/49/59/46/1009495946.db2.gz	CCEJOGLEJDCTSQ-FRFSOERESA-N	1	0	357.458	1.337	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(N(C)C)c1)C2	ZINC001111318514	1009506906	/nfs/dbraw/zinc/50/69/06/1009506906.db2.gz	DKZKOVMNSOXMDD-PIKADFDJSA-N	1	0	370.497	1.778	20	30		FDEDRO
N#Cc1ccc(NC2CC[NH+](CCNC(=O)[C@@H]3C[C@H]3C3CC3)CC2)nc1	ZINC001111323449	1009610285	/nfs/dbraw/zinc/61/02/85/1009610285.db2.gz	CBNJKYCENFSZCQ-ZWKOTPCHSA-N	1	0	353.470	1.992	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CO[C@@H](C)c1nccn1C)C2	ZINC001111329376	1009662086	/nfs/dbraw/zinc/66/20/86/1009662086.db2.gz	YNALTHBYNDZNQK-HZMVEIRTSA-N	1	0	362.474	1.422	20	30		FDEDRO
[NH2+]=C(N[C@@H]1CCN(CC(F)(F)F)C1)N1CCN(c2ccc(F)cc2)CC1	ZINC000303886693	1009674151	/nfs/dbraw/zinc/67/41/51/1009674151.db2.gz	NXBKLIYZFJVWFG-CQSZACIVSA-N	1	0	373.398	1.899	20	30		FDEDRO
CCNC(=O)COc1ccc(CNC(=[NH2+])NC2CCCCC2)cc1OC	ZINC000303906111	1009688688	/nfs/dbraw/zinc/68/86/88/1009688688.db2.gz	VYJIDVXXXWVXMC-UHFFFAOYSA-N	1	0	362.474	1.947	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1	ZINC000960304503	1009951900	/nfs/dbraw/zinc/95/19/00/1009951900.db2.gz	OYNQUKWMWUQGOB-AKHDSKFASA-N	1	0	371.481	1.570	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@H]1c1ccnn1CC	ZINC000960338588	1009998607	/nfs/dbraw/zinc/99/86/07/1009998607.db2.gz	AMJRMXBNRKOVJK-RFXPCRSYSA-N	1	0	358.486	1.993	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1	ZINC000648181210	1010295870	/nfs/dbraw/zinc/29/58/70/1010295870.db2.gz	CURQYZGSCHJMAM-OAHLLOKOSA-N	1	0	363.483	1.555	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cccc(OC)c1)C2	ZINC001111343984	1010341589	/nfs/dbraw/zinc/34/15/89/1010341589.db2.gz	LKMKOXHPLAULQN-OPNNQBFTSA-N	1	0	369.465	1.097	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3ccc(CC)o3)C[C@H]2C)CC1	ZINC000951083637	1010434003	/nfs/dbraw/zinc/43/40/03/1010434003.db2.gz	JDSFDPIXZUSWQB-CRAIPNDOSA-N	1	0	371.481	1.764	20	30		FDEDRO
COc1ccc(O)c(CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)c1	ZINC000304753046	1010477641	/nfs/dbraw/zinc/47/76/41/1010477641.db2.gz	KTPHDSQLPSFVRR-UHFFFAOYSA-N	1	0	364.446	1.768	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC000951494883	1010883736	/nfs/dbraw/zinc/88/37/36/1010883736.db2.gz	RPMOXVUVJGZXJN-FHLIZLRMSA-N	1	0	354.454	1.124	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCN(C(=O)C[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000951577726	1010942132	/nfs/dbraw/zinc/94/21/32/1010942132.db2.gz	BGSYCAPEGFNKFL-ZCNNSNEGSA-N	1	0	371.525	1.875	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3CCC)C2)CC1	ZINC000951944822	1011142127	/nfs/dbraw/zinc/14/21/27/1011142127.db2.gz	GQJZJMHCVCBTMO-GUDVDZBRSA-N	1	0	359.514	1.875	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000952064778	1011198354	/nfs/dbraw/zinc/19/83/54/1011198354.db2.gz	LGZPGTQNQHTTBM-NXHRZFHOSA-N	1	0	368.437	1.646	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)N3C(=O)C#CC2CC2)CC[N@@H+]1C	ZINC000952428060	1011727859	/nfs/dbraw/zinc/72/78/59/1011727859.db2.gz	PISQDTHJNJGNKX-JUFRUHRKSA-N	1	0	357.498	1.768	20	30		FDEDRO
C#CCN1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CC1	ZINC000796427148	1011848892	/nfs/dbraw/zinc/84/88/92/1011848892.db2.gz	AZPPGJWLCZOXTN-SFHVURJKSA-N	1	0	361.436	1.921	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCCC1	ZINC000963117877	1011853749	/nfs/dbraw/zinc/85/37/49/1011853749.db2.gz	WJEGDNFPJFDSIB-XDNAFOTISA-N	1	0	361.486	1.265	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1nc3ncccn3n1)C2	ZINC001111405940	1012178233	/nfs/dbraw/zinc/17/82/33/1012178233.db2.gz	LXYRSNCHGQCQFO-FPCVCCKLSA-N	1	0	354.458	1.743	20	30		FDEDRO
Cn1nccc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC000961319545	1012234533	/nfs/dbraw/zinc/23/45/33/1012234533.db2.gz	GBWWIRILZPMART-KLBVCGFUSA-N	1	0	361.449	1.642	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+](CC(N)=O)C2)CC1	ZINC000961425500	1012363054	/nfs/dbraw/zinc/36/30/54/1012363054.db2.gz	YICGTJZGEMQCBI-LNLFQRSKSA-N	1	0	363.502	1.404	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1ncnn1C)C2	ZINC000963816140	1012731467	/nfs/dbraw/zinc/73/14/67/1012731467.db2.gz	QCUFPUIWGBBNPV-NFIWUILVSA-N	1	0	359.474	1.313	20	30		FDEDRO
Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC000961829208	1012900753	/nfs/dbraw/zinc/90/07/53/1012900753.db2.gz	BJOQEFCUWJYLMP-KLBVCGFUSA-N	1	0	361.449	1.642	20	30		FDEDRO
C=C(Br)C[NH2+]C1CCC(N(C)C(=O)[C@H]2C[C@H]2C(N)=O)CC1	ZINC000963920026	1012958706	/nfs/dbraw/zinc/95/87/06/1012958706.db2.gz	ITLWDUAYTGYDAY-TUUUFIMRSA-N	1	0	358.280	1.376	20	30		FDEDRO
COc1ccc(C(=O)N2CCN(Cc3cc(C#N)n(C)c3)CC2)cc1OC	ZINC000191208556	178045667	/nfs/dbraw/zinc/04/56/67/178045667.db2.gz	XIUXDZJNTLDMNW-UHFFFAOYSA-N	1	0	368.437	1.872	20	30		FDEDRO
CN1CC[NH+](CC2CCN(C(=O)NCc3cccc(C#N)c3)CC2)CC1	ZINC000192149612	178096889	/nfs/dbraw/zinc/09/68/89/178096889.db2.gz	XCTRQMULSGJXEH-UHFFFAOYSA-N	1	0	355.486	1.727	20	30		FDEDRO
C[C@@H](CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[N@H+](C)C1CC1	ZINC000192344878	178110884	/nfs/dbraw/zinc/11/08/84/178110884.db2.gz	AFBFKTJNWDGVNS-KSSFIOAISA-N	1	0	369.469	1.441	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCC[N@@H+](C2CC2)CC1	ZINC000192827542	178135690	/nfs/dbraw/zinc/13/56/90/178135690.db2.gz	XSEXXYUXAGNSRO-UHFFFAOYSA-N	1	0	357.458	1.750	20	30		FDEDRO
C[C@@H]1CCNC(=O)[C@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000193643699	178174564	/nfs/dbraw/zinc/17/45/64/178174564.db2.gz	CJSOMWFSHBSFCG-BZNIZROVSA-N	1	0	360.483	1.941	20	30		FDEDRO
C[C@@H]1C[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1N1CCOCC1	ZINC000245533248	178365201	/nfs/dbraw/zinc/36/52/01/178365201.db2.gz	VERFMRDJTTYEOH-UXPWSPDFSA-N	1	0	368.481	1.706	20	30		FDEDRO
C=CCN1CC[C@H](N(C)CCC[NH+]2CCN(c3ccccc3)CC2)C1=O	ZINC000510745717	538955647	/nfs/dbraw/zinc/95/56/47/538955647.db2.gz	DCOUBJJOUWXKTJ-FQEVSTJZSA-N	1	0	356.514	1.917	20	30		FDEDRO
COC(=O)CC[N@@H+](CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)CC(C)C	ZINC000512408304	538974297	/nfs/dbraw/zinc/97/42/97/538974297.db2.gz	DQJZSPXTGQWARM-KRWDZBQOSA-N	1	0	366.506	1.200	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)NCC(C)(C)C#N)CC1	ZINC000512901269	538982724	/nfs/dbraw/zinc/98/27/24/538982724.db2.gz	IGKFJWRRQJENQB-UHFFFAOYSA-N	1	0	365.522	1.806	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(NS(C)(=O)=O)cc1	ZINC000267966028	674044230	/nfs/dbraw/zinc/04/42/30/674044230.db2.gz	ZASDOKWOJOAGNA-UHFFFAOYSA-N	1	0	367.475	1.757	20	30		FDEDRO
CN(c1c(C#N)c(=O)n(C)c(=O)n1C)C1CC[NH+](Cc2ccccc2)CC1	ZINC000264914455	179238530	/nfs/dbraw/zinc/23/85/30/179238530.db2.gz	GCLAWSGZJKOFCG-UHFFFAOYSA-N	1	0	367.453	1.056	20	30		FDEDRO
COC(=O)[C@H]1CC12CC[NH+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)CC2	ZINC000265055212	179275962	/nfs/dbraw/zinc/27/59/62/179275962.db2.gz	MDPCPKBKJBAUJS-SJORKVTESA-N	1	0	353.422	1.939	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1	ZINC000546880216	542249264	/nfs/dbraw/zinc/24/92/64/542249264.db2.gz	MHZIVNHABUIREM-UHFFFAOYSA-N	1	0	368.485	1.825	20	30		FDEDRO
CC(C)OCCOC[C@H](O)C[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1	ZINC000265466595	179383984	/nfs/dbraw/zinc/38/39/84/179383984.db2.gz	HDUFJNHPVKUDGY-GOSISDBHSA-N	1	0	363.458	1.621	20	30		FDEDRO
C[C@H]1Oc2ccccc2N(CCC(=O)NC2(C#N)CC[NH+](C)CC2)C1=O	ZINC000524686279	539657225	/nfs/dbraw/zinc/65/72/25/539657225.db2.gz	IXIPGLCEYZUTCP-CQSZACIVSA-N	1	0	356.426	1.295	20	30		FDEDRO
C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1	ZINC000267353958	179817859	/nfs/dbraw/zinc/81/78/59/179817859.db2.gz	IISPPRBMIIQBSM-DLBZAZTESA-N	1	0	356.474	1.658	20	30		FDEDRO
CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000268054927	674069793	/nfs/dbraw/zinc/06/97/93/674069793.db2.gz	NITPPMOHUZBBEP-CYBMUJFWSA-N	1	0	366.849	1.623	20	30		FDEDRO
COC(=O)[C@H](C)CS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000268271085	180040360	/nfs/dbraw/zinc/04/03/60/180040360.db2.gz	JUFNDPGNCXFQLR-CQSZACIVSA-N	1	0	367.471	1.061	20	30		FDEDRO
CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CCCOc1cccc(C#N)c1	ZINC000268702267	180144422	/nfs/dbraw/zinc/14/44/22/180144422.db2.gz	RMHIRKWBDUUKMQ-MRXNPFEDSA-N	1	0	351.472	1.731	20	30		FDEDRO
CC[C@@H](C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)[NH+](C)C	ZINC000268749529	180152123	/nfs/dbraw/zinc/15/21/23/180152123.db2.gz	UIUJIYHPPVLSGY-KRWDZBQOSA-N	1	0	372.448	1.854	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)c(Cl)c1	ZINC000269101665	180216068	/nfs/dbraw/zinc/21/60/68/180216068.db2.gz	OFDZZCYZMYAXKF-UHFFFAOYSA-N	1	0	364.833	1.379	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CCCN2CCN(c3ncccn3)CC2)c(F)c1	ZINC000269439197	180302952	/nfs/dbraw/zinc/30/29/52/180302952.db2.gz	SEEBMMCQGPWCSR-UHFFFAOYSA-N	1	0	354.433	1.789	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@@H]3CC[NH2+]C34CCC4)CC2)c1C#N	ZINC000529349372	539824831	/nfs/dbraw/zinc/82/48/31/539824831.db2.gz	HDTFIWNRXLDHPQ-CQSZACIVSA-N	1	0	360.487	1.439	20	30		FDEDRO
COCc1ccc(NCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1C#N	ZINC000530121281	539888919	/nfs/dbraw/zinc/88/89/19/539888919.db2.gz	PMHDYKPFTLZINV-IBGZPJMESA-N	1	0	374.485	1.590	20	30		FDEDRO
CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)[C@H]1n1cccn1	ZINC000530233362	539916268	/nfs/dbraw/zinc/91/62/68/539916268.db2.gz	ICUIVDHSAKOZLF-UKBAYJJMSA-N	1	0	356.426	1.503	20	30		FDEDRO
C=CCn1c(C)cc(C(=O)CN2CCN(C(=O)N3CC[NH2+]CC3)CC2)c1C	ZINC000530225402	539914097	/nfs/dbraw/zinc/91/40/97/539914097.db2.gz	YCNXHXIGZQSOJT-UHFFFAOYSA-N	1	0	373.501	1.116	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCN(c2ccccc2F)C1=O	ZINC000530232069	539915898	/nfs/dbraw/zinc/91/58/98/539915898.db2.gz	WPMQDYANOJAUQO-NVXWUHKLSA-N	1	0	369.396	1.832	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CC(=O)N(C2CCCCC2)C1	ZINC000530232123	539915910	/nfs/dbraw/zinc/91/59/10/539915910.db2.gz	NJFVDIYQCHNGJV-WMZOPIPTSA-N	1	0	357.454	1.821	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)c1C#N	ZINC000530513780	539989288	/nfs/dbraw/zinc/98/92/88/539989288.db2.gz	RYECEONKQCXVDI-IAGOWNOFSA-N	1	0	371.489	1.059	20	30		FDEDRO
Cc1ccc(-n2nc(CCCNC(=O)[C@@H]3CC[N@@H+](C)C3)c(C#N)c2N)cc1	ZINC000530745562	540034335	/nfs/dbraw/zinc/03/43/35/540034335.db2.gz	JMTKCIKHLWUHPY-OAHLLOKOSA-N	1	0	366.469	1.635	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@H]3C)cc2C1=O	ZINC000531823561	540118934	/nfs/dbraw/zinc/11/89/34/540118934.db2.gz	ISIJUTGZACTIAX-SJKOYZFVSA-N	1	0	353.422	1.681	20	30		FDEDRO
CC(C)OC1CC[NH+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1	ZINC000537048269	540678073	/nfs/dbraw/zinc/67/80/73/540678073.db2.gz	XQIZRAATKBYSEV-SFHVURJKSA-N	1	0	350.507	1.568	20	30		FDEDRO
C[N@H+](CCc1cccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)c1)C1CC1	ZINC000537078309	540682031	/nfs/dbraw/zinc/68/20/31/540682031.db2.gz	ADSKIVDROSNIFW-QGZVFWFLSA-N	1	0	356.426	1.013	20	30		FDEDRO
COC(=O)c1cnc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cn1	ZINC000537726487	540765333	/nfs/dbraw/zinc/76/53/33/540765333.db2.gz	ACWFLZNJYLPOEK-UHFFFAOYSA-N	1	0	367.409	1.339	20	30		FDEDRO
CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000275394727	181307570	/nfs/dbraw/zinc/30/75/70/181307570.db2.gz	HCXOLAJOIFAALX-KRWDZBQOSA-N	1	0	354.454	1.780	20	30		FDEDRO
COC(=O)CC[N@@H+]1CCN(Cc2cccc(C(=O)OC)c2C#N)[C@@H](C)C1	ZINC000538280541	540836977	/nfs/dbraw/zinc/83/69/77/540836977.db2.gz	ZALBCNLOCLBEKO-AWEZNQCLSA-N	1	0	359.426	1.414	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C	ZINC000275432368	181316964	/nfs/dbraw/zinc/31/69/64/181316964.db2.gz	KNYJFGLJMFCJTQ-AWEZNQCLSA-N	1	0	361.442	1.249	20	30		FDEDRO
CC[NH+](CC)CC[C@H](CO)NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C	ZINC000538821416	540895089	/nfs/dbraw/zinc/89/50/89/540895089.db2.gz	JGDXCKQIWNHDTF-OAHLLOKOSA-N	1	0	362.474	1.417	20	30		FDEDRO
N#Cc1ccc(CN2CCC[N@H+](CCN3C[C@H]4CC[C@@H](C3)O4)CC2)cc1	ZINC000539374715	540952919	/nfs/dbraw/zinc/95/29/19/540952919.db2.gz	YXERZEOFCSJOCJ-OYRHEFFESA-N	1	0	354.498	1.929	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001087198736	781937047	/nfs/dbraw/zinc/93/70/47/781937047.db2.gz	YHZALHDLQHXIBV-JLSDUUJJSA-N	1	0	369.469	1.299	20	30		FDEDRO
C[C@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1C#N)[N@@H+]1CCC[C@H](C)C1	ZINC000540967674	541126175	/nfs/dbraw/zinc/12/61/75/541126175.db2.gz	MHMCMBYKZMYBPZ-UONOGXRCSA-N	1	0	361.494	1.558	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](CC)c1cccc(S(N)(=O)=O)c1	ZINC000541204582	541168127	/nfs/dbraw/zinc/16/81/27/541168127.db2.gz	QXDZBUOQRZINMS-RHSMWYFYSA-N	1	0	365.499	1.964	20	30		FDEDRO
C[C@H](C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)n1cnc(C#N)n1	ZINC000541795040	541267432	/nfs/dbraw/zinc/26/74/32/541267432.db2.gz	RQJZEGUIKDNTAI-OLMMMNRUSA-N	1	0	366.469	1.984	20	30		FDEDRO
CC(C)C[NH+]1CCC(NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC1	ZINC000541895036	541292259	/nfs/dbraw/zinc/29/22/59/541292259.db2.gz	AQBCQYXSTLYEPQ-UHFFFAOYSA-N	1	0	361.494	1.558	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(C3=S=CC=C3)o2)c1C#N	ZINC000542167017	541351064	/nfs/dbraw/zinc/35/10/64/541351064.db2.gz	PWAXZHGYHZBLEG-UHFFFAOYSA-N	1	0	355.423	1.904	20	30		FDEDRO
Cc1cc(N2C[C@@H](C(=O)NC3(C#N)CC[NH+](C)CC3)CC2=O)ccc1F	ZINC000542799661	541473686	/nfs/dbraw/zinc/47/36/86/541473686.db2.gz	COFAPDUDSKWKGN-AWEZNQCLSA-N	1	0	358.417	1.591	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCc1ccc(C[NH+](C)C)cc1	ZINC000543753491	541653207	/nfs/dbraw/zinc/65/32/07/541653207.db2.gz	BWQGAOQEDBTAET-UHFFFAOYSA-N	1	0	369.473	1.699	20	30		FDEDRO
C[C@@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1C#N)[N@@H+]1CCCC[C@H]1C	ZINC000543753734	541653480	/nfs/dbraw/zinc/65/34/80/541653480.db2.gz	JKJAXVCWSJUQGJ-KGLIPLIRSA-N	1	0	361.494	1.700	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccc1F	ZINC000275946620	181461281	/nfs/dbraw/zinc/46/12/81/181461281.db2.gz	YNEFAPJTFFNZKZ-SJORKVTESA-N	1	0	374.416	1.130	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(C)[nH]c1=O)C(C)C	ZINC000544501872	541777511	/nfs/dbraw/zinc/77/75/11/541777511.db2.gz	VDSFMRJWCXPQRC-MRXNPFEDSA-N	1	0	360.458	1.849	20	30		FDEDRO
CC1=CC[N@H+](CCNC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1	ZINC000545151208	541880198	/nfs/dbraw/zinc/88/01/98/541880198.db2.gz	OAKLNHBXVUANEI-UHFFFAOYSA-N	1	0	354.458	1.437	20	30		FDEDRO
CN1CCN(C(=O)CC[NH+]2CCC(Oc3cccc(C#N)c3)CC2)CC1	ZINC000283653548	182242959	/nfs/dbraw/zinc/24/29/59/182242959.db2.gz	UCLPBTRXNQMCNQ-UHFFFAOYSA-N	1	0	356.470	1.566	20	30		FDEDRO
CC1CC[NH+](CCCCNC(=O)C(=O)NCc2cccc(C#N)c2)CC1	ZINC000284063544	182353110	/nfs/dbraw/zinc/35/31/10/182353110.db2.gz	QWYFLGSJWRKYPP-UHFFFAOYSA-N	1	0	356.470	1.803	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1	ZINC000545868813	542032932	/nfs/dbraw/zinc/03/29/32/542032932.db2.gz	DNYFUVCZVXSICQ-HXUWFJFHSA-N	1	0	372.469	1.689	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C	ZINC000546002890	542071855	/nfs/dbraw/zinc/07/18/55/542071855.db2.gz	SNNZYWVPYQDLQD-KBPBESRZSA-N	1	0	358.442	1.884	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C	ZINC000546003533	542072810	/nfs/dbraw/zinc/07/28/10/542072810.db2.gz	RRHQIKGYJGVZID-INIZCTEOSA-N	1	0	373.457	1.631	20	30		FDEDRO
C[C@]1(CO)CCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000546105776	542099695	/nfs/dbraw/zinc/09/96/95/542099695.db2.gz	YZZYPBBIYXMVAI-UYAOXDASSA-N	1	0	374.460	1.381	20	30		FDEDRO
C[N@@H+]1CC[C@](O)(CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1	ZINC000546570999	542167111	/nfs/dbraw/zinc/16/71/11/542167111.db2.gz	RHELJHJWMUBDAP-NRFANRHFSA-N	1	0	365.433	1.934	20	30		FDEDRO
C[N@@H+]1CC[C@](O)(CNC(=O)c2occc2COc2cccc(C#N)c2)C1	ZINC000546570208	542167753	/nfs/dbraw/zinc/16/77/53/542167753.db2.gz	WWOCBCKELLHATJ-IBGZPJMESA-N	1	0	355.394	1.527	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(c2nc3ccccn3c2C#N)CC1	ZINC000286530295	183089726	/nfs/dbraw/zinc/08/97/26/183089726.db2.gz	YKJURPZZIKDFBR-UHFFFAOYSA-N	1	0	357.458	1.770	20	30		FDEDRO
CC1=CC[N@H+](CCNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1	ZINC000546587641	542174476	/nfs/dbraw/zinc/17/44/76/542174476.db2.gz	ZVONOBBSWWWGOA-UHFFFAOYSA-N	1	0	350.426	1.708	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000286449465	183068894	/nfs/dbraw/zinc/06/88/94/183068894.db2.gz	RJUVYMHLVLGECU-DOTOQJQBSA-N	1	0	373.476	1.276	20	30		FDEDRO
CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(C)Cc1cccc(C#N)c1	ZINC000287138415	183220913	/nfs/dbraw/zinc/22/09/13/183220913.db2.gz	WPWDTPMCIJFXAC-GOSISDBHSA-N	1	0	356.470	1.897	20	30		FDEDRO
C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000287359084	183273039	/nfs/dbraw/zinc/27/30/39/183273039.db2.gz	HFHJKHWPOJYXPO-UHFFFAOYSA-N	1	0	367.247	1.716	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)[NH+](C)C	ZINC000287550150	183320590	/nfs/dbraw/zinc/32/05/90/183320590.db2.gz	ULQXYROPRKGDQH-VIFPVBQESA-N	1	0	353.220	1.326	20	30		FDEDRO
N#CC1(CS(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CCCC1	ZINC000546776889	542223766	/nfs/dbraw/zinc/22/37/66/542223766.db2.gz	KMYUHAZVDHGDQJ-IRXDYDNUSA-N	1	0	369.531	1.758	20	30		FDEDRO
C[C@@H]1C[C@@H](C)C[NH+](CCCCNS(=O)(=O)c2cncc(C#N)c2)C1	ZINC000289851843	183571831	/nfs/dbraw/zinc/57/18/31/183571831.db2.gz	PTJLISITWYKAOA-HUUCEWRRSA-N	1	0	350.488	1.990	20	30		FDEDRO
CN(CC[N@H+](C)Cc1cc(C#N)n(C)c1)c1ccc(S(N)(=O)=O)cc1	ZINC000295043152	184029713	/nfs/dbraw/zinc/02/97/13/184029713.db2.gz	MVCOGJXEODRDIK-UHFFFAOYSA-N	1	0	361.471	1.112	20	30		FDEDRO
CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000295371317	184064335	/nfs/dbraw/zinc/06/43/35/184064335.db2.gz	PTVPAETVZAFNMF-HKUYNNGSSA-N	1	0	372.469	1.726	20	30		FDEDRO
CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000296265429	184147293	/nfs/dbraw/zinc/14/72/93/184147293.db2.gz	MAJKRBWBMYGRPZ-INIZCTEOSA-N	1	0	357.451	1.474	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)Cc3ccc(F)cc3C#N)[C@H]2C1	ZINC000297062183	184230651	/nfs/dbraw/zinc/23/06/51/184230651.db2.gz	MNTOZWQAYXMGBJ-DLBZAZTESA-N	1	0	367.446	1.322	20	30		FDEDRO
N#Cc1cc(Br)cnc1NCCC[N@H+]1CCC[C@@H]1C(N)=O	ZINC000297302147	184255813	/nfs/dbraw/zinc/25/58/13/184255813.db2.gz	YOPJFZJKCHJUSG-GFCCVEGCSA-N	1	0	352.236	1.467	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1coc(S(=O)(=O)NC)c1)C(C)C	ZINC000270022792	674155353	/nfs/dbraw/zinc/15/53/53/674155353.db2.gz	DYLXZZDMULSZKK-HNNXBMFYSA-N	1	0	369.487	1.616	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(C#N)nc1	ZINC000170663275	258264404	/nfs/dbraw/zinc/26/44/04/258264404.db2.gz	ICNFIIRDPBKMCM-UHFFFAOYSA-N	1	0	369.450	1.577	20	30		FDEDRO
Cn1nc2c(cc1=O)C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC2	ZINC000172792026	258285551	/nfs/dbraw/zinc/28/55/51/258285551.db2.gz	YOKJJTGKLCICAP-UHFFFAOYSA-N	1	0	371.828	1.692	20	30		FDEDRO
COC(=O)CC1([NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CCCC1	ZINC000548427177	542664627	/nfs/dbraw/zinc/66/46/27/542664627.db2.gz	ZMTJLMXCVQPRCU-MRXNPFEDSA-N	1	0	364.490	1.144	20	30		FDEDRO
Cn1cc(OCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cn1	ZINC000548763872	542773951	/nfs/dbraw/zinc/77/39/51/542773951.db2.gz	ADTQBNLMFRKOMR-UHFFFAOYSA-N	1	0	353.426	1.473	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1	ZINC000549936044	542971544	/nfs/dbraw/zinc/97/15/44/542971544.db2.gz	JPMBBNKLEYJQGD-DLBZAZTESA-N	1	0	359.518	1.777	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)c1	ZINC000550502851	543117074	/nfs/dbraw/zinc/11/70/74/543117074.db2.gz	UKXRNTQJLLGREU-QZTJIDSGSA-N	1	0	364.467	1.242	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1	ZINC000550642138	543140554	/nfs/dbraw/zinc/14/05/54/543140554.db2.gz	OGFSQZCEPNNLMV-UHFFFAOYSA-N	1	0	371.485	1.040	20	30		FDEDRO
C=CCN(CC1CCCCC1)C(=O)C(=O)NCCCC[NH+]1CCOCC1	ZINC000551164212	543244688	/nfs/dbraw/zinc/24/46/88/543244688.db2.gz	VCVDXESQMDDOBU-UHFFFAOYSA-N	1	0	365.518	1.810	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](C[NH+](C)C)c1ccc(OC)cc1	ZINC000551226044	543255879	/nfs/dbraw/zinc/25/58/79/543255879.db2.gz	ZRFDAVREANLBQV-RHSMWYFYSA-N	1	0	368.503	1.614	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1	ZINC000552202725	543436746	/nfs/dbraw/zinc/43/67/46/543436746.db2.gz	HTPNKSZDOSFHLN-UHFFFAOYSA-N	1	0	357.520	1.027	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1	ZINC000552781937	543517291	/nfs/dbraw/zinc/51/72/91/543517291.db2.gz	IQIGAUFXVQRFTB-ODZFXCKXSA-N	1	0	351.491	1.320	20	30		FDEDRO
CN(C)C(=O)CCCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000074191081	172076099	/nfs/dbraw/zinc/07/60/99/172076099.db2.gz	SOSLXAYJLXRJIM-UHFFFAOYSA-N	1	0	356.470	1.851	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)N(C)Cc2ccc(C#N)cc2)CC1	ZINC000074657679	172084426	/nfs/dbraw/zinc/08/44/26/172084426.db2.gz	PUXPCGXRWVZCMI-QGZVFWFLSA-N	1	0	357.502	1.973	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H](N2CC[NH+](C[C@H]3CCOC3)CC2)C1=O	ZINC000083250092	172204453	/nfs/dbraw/zinc/20/44/53/172204453.db2.gz	VISCDNIECHSMRA-ZBFHGGJFSA-N	1	0	360.483	1.379	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccs1)C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000088412330	172232574	/nfs/dbraw/zinc/23/25/74/172232574.db2.gz	SDBWJDYPIQELRA-UHFFFAOYSA-N	1	0	370.478	1.940	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1	ZINC000088820488	172238093	/nfs/dbraw/zinc/23/80/93/172238093.db2.gz	BBWJDNKKPYTLLW-UHFFFAOYSA-N	1	0	354.410	1.989	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1	ZINC000097024939	172325850	/nfs/dbraw/zinc/32/58/50/172325850.db2.gz	LMPGUJPYTZQRRM-QGZVFWFLSA-N	1	0	370.453	1.458	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)N2CCN(c3ccccc3C#N)CC2)CC1	ZINC000101671731	172339932	/nfs/dbraw/zinc/33/99/32/172339932.db2.gz	VWXXNLNEOJRXPD-UHFFFAOYSA-N	1	0	355.486	1.234	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Nc1ccc(F)c(C#N)c1	ZINC000105036916	172392734	/nfs/dbraw/zinc/39/27/34/172392734.db2.gz	ZOWSWNYZIUOBAL-MRXNPFEDSA-N	1	0	361.421	1.762	20	30		FDEDRO
CC(C)[C@H](CNS(=O)(=O)c1ccc(F)cc1C#N)N1CC[NH+](C)CC1	ZINC000122252169	172890948	/nfs/dbraw/zinc/89/09/48/172890948.db2.gz	NHLABZJKHQNIII-INIZCTEOSA-N	1	0	368.478	1.248	20	30		FDEDRO
COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1)CC2	ZINC000124640866	172976354	/nfs/dbraw/zinc/97/63/54/172976354.db2.gz	GLCHAQHXWWXEOW-DOMZBBRYSA-N	1	0	354.414	1.228	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C(N)=O)n1	ZINC000126468291	173042671	/nfs/dbraw/zinc/04/26/71/173042671.db2.gz	ZEWCKHPCXSLLRS-UHFFFAOYSA-N	1	0	366.425	1.648	20	30		FDEDRO
CCn1cc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cn1	ZINC000128586186	173114371	/nfs/dbraw/zinc/11/43/71/173114371.db2.gz	KYLNOJNAOFZLCX-UHFFFAOYSA-N	1	0	368.441	1.304	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[NH+]2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1	ZINC000131218888	173194285	/nfs/dbraw/zinc/19/42/85/173194285.db2.gz	DOCLAXMVBLIKEG-SFHVURJKSA-N	1	0	369.469	1.301	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1	ZINC000177109252	174106061	/nfs/dbraw/zinc/10/60/61/174106061.db2.gz	NNYPBAIYLFFPQF-MLGOLLRUSA-N	1	0	366.469	1.892	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1	ZINC000177109235	174106485	/nfs/dbraw/zinc/10/64/85/174106485.db2.gz	NNYPBAIYLFFPQF-LRDDRELGSA-N	1	0	366.469	1.892	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)cc1	ZINC000177451574	174132592	/nfs/dbraw/zinc/13/25/92/174132592.db2.gz	KCVUCRCPLRFFJE-XLIONFOSSA-N	1	0	360.454	1.958	20	30		FDEDRO
C[NH+](C)[C@H]1CCC[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1	ZINC000177496485	174136546	/nfs/dbraw/zinc/13/65/46/174136546.db2.gz	PBMHJSXJLCNHLD-IRXDYDNUSA-N	1	0	363.483	1.462	20	30		FDEDRO
C[C@@H](CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)[NH+]1CCCCC1	ZINC000182151027	177504351	/nfs/dbraw/zinc/50/43/51/177504351.db2.gz	KDYRRHMMCRRGAB-AWEZNQCLSA-N	1	0	374.489	1.829	20	30		FDEDRO
N#Cc1ccc(CSCC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1	ZINC000174192993	258321328	/nfs/dbraw/zinc/32/13/28/258321328.db2.gz	VIKAXVPXHRZVIM-SFHVURJKSA-N	1	0	359.495	1.972	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](N3CC[NH+](C[C@@H]4CCOC4)CC3)C2=O)cc1	ZINC000178821300	258336410	/nfs/dbraw/zinc/33/64/10/258336410.db2.gz	VDEORBRSXXYSEX-HKUYNNGSSA-N	1	0	354.454	1.318	20	30		FDEDRO
CN(C)C(=O)N1CCC([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000190631593	258389299	/nfs/dbraw/zinc/38/92/99/258389299.db2.gz	PBRWOKCXKBMSJY-SFHVURJKSA-N	1	0	369.469	1.395	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C1	ZINC000192922308	258392597	/nfs/dbraw/zinc/39/25/97/258392597.db2.gz	LKIMGQJDALFKTM-TXEJJXNPSA-N	1	0	359.373	1.759	20	30		FDEDRO
C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000275377745	258460592	/nfs/dbraw/zinc/46/05/92/258460592.db2.gz	ZJBONMRMCBVOEK-WMZOPIPTSA-N	1	0	369.469	1.647	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCOc2ccc(F)cc2F)CC1	ZINC000553330604	543610925	/nfs/dbraw/zinc/61/09/25/543610925.db2.gz	OLQKICOZTYBJLZ-UHFFFAOYSA-N	1	0	367.396	1.226	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](c3ccnn3C)C2)CC1	ZINC000553396814	543626805	/nfs/dbraw/zinc/62/68/05/543626805.db2.gz	GSVKEARKZMWETA-MRXNPFEDSA-N	1	0	373.501	1.283	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2nc(C)c(C)s2)CC1	ZINC000553669025	543677829	/nfs/dbraw/zinc/67/78/29/543677829.db2.gz	FUTXRDYUXSPKSH-UHFFFAOYSA-N	1	0	350.488	1.533	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@H](OCCCC)C2(C)C)CC1	ZINC000553669358	543678010	/nfs/dbraw/zinc/67/80/10/543678010.db2.gz	COESLIBQNGNIOM-IRXDYDNUSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCOC2CCCCCC2)CC1	ZINC000553671156	543678507	/nfs/dbraw/zinc/67/85/07/543678507.db2.gz	PLTGOGWEAZPUQT-UHFFFAOYSA-N	1	0	365.518	1.999	20	30		FDEDRO
N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1	ZINC000554486721	543808697	/nfs/dbraw/zinc/80/86/97/543808697.db2.gz	UEGDHABWWQEZMM-DLBZAZTESA-N	1	0	369.473	1.315	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CC(C)C)CC1	ZINC000555024022	543903085	/nfs/dbraw/zinc/90/30/85/543903085.db2.gz	PLAUESONSCJKHU-KRWDZBQOSA-N	1	0	361.490	1.250	20	30		FDEDRO
COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000556514340	544151341	/nfs/dbraw/zinc/15/13/41/544151341.db2.gz	CDJIQRAQMGTRFW-NQYLQCIDSA-N	1	0	357.454	1.805	20	30		FDEDRO
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000556514344	544151568	/nfs/dbraw/zinc/15/15/68/544151568.db2.gz	CDJIQRAQMGTRFW-ZTQAJYAQSA-N	1	0	357.454	1.805	20	30		FDEDRO
CC[C@H](C)[NH+]1CCN(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1	ZINC000556613466	544162651	/nfs/dbraw/zinc/16/26/51/544162651.db2.gz	OOQUGSJLFWVZBD-HNNXBMFYSA-N	1	0	367.457	2.395	20	30		FDEDRO
C[C@@H]([NH2+]CCn1cnc(C#N)n1)c1ccc(OCc2nccn2C)cc1	ZINC000556925487	544221363	/nfs/dbraw/zinc/22/13/63/544221363.db2.gz	SRSDIVJOFHBFBY-CQSZACIVSA-N	1	0	351.414	1.813	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCC(=O)NCC#N	ZINC000557809485	544349253	/nfs/dbraw/zinc/34/92/53/544349253.db2.gz	RUVODHUOVAHPIH-OAHLLOKOSA-N	1	0	357.458	1.500	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CC[N@H+](CCOC)C1	ZINC000557766461	544343748	/nfs/dbraw/zinc/34/37/48/544343748.db2.gz	GDNQRJLGBGFZES-SFHVURJKSA-N	1	0	372.469	1.134	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC(C)(C)OC(C)(C)C2)CC1	ZINC000557768801	544344201	/nfs/dbraw/zinc/34/42/01/544344201.db2.gz	YYWSJIJSOXEPKO-UHFFFAOYSA-N	1	0	351.491	1.559	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)Cc3ccc(C#N)cc3F)[C@H]2C1	ZINC000559115090	544591767	/nfs/dbraw/zinc/59/17/67/544591767.db2.gz	NPDVLPWMKOLXRS-DLBZAZTESA-N	1	0	367.446	1.322	20	30		FDEDRO
N#Cc1cncc(S(=O)(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c1	ZINC000289446841	258822861	/nfs/dbraw/zinc/82/28/61/258822861.db2.gz	KSNNVHKZDDMDTJ-UHFFFAOYSA-N	1	0	364.471	1.219	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc1	ZINC000293605613	258886343	/nfs/dbraw/zinc/88/63/43/258886343.db2.gz	GLZAEIXASDOGEW-GOEBONIOSA-N	1	0	353.426	1.367	20	30		FDEDRO
C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1	ZINC000293849925	258900486	/nfs/dbraw/zinc/90/04/86/258900486.db2.gz	UBSRYCMUVSBAIO-UHFFFAOYSA-N	1	0	365.231	1.423	20	30		FDEDRO
CC(C)(C)CC[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1	ZINC000301343186	259026048	/nfs/dbraw/zinc/02/60/48/259026048.db2.gz	GKGAZJVYXMIIGI-UHFFFAOYSA-N	1	0	350.488	1.764	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNc2nccc(C#N)c2[N+](=O)[O-])CC1	ZINC000301636123	259031300	/nfs/dbraw/zinc/03/13/00/259031300.db2.gz	FCSNFETXYDNBFY-UHFFFAOYSA-N	1	0	374.445	1.900	20	30		FDEDRO
N#Cc1ccc(C(F)(F)F)nc1N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000301804550	259033980	/nfs/dbraw/zinc/03/39/80/259033980.db2.gz	DRTGVLMNXMDAIO-ZDUSSCGKSA-N	1	0	367.375	1.891	20	30		FDEDRO
C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C)C[C@@H]1N1CCOCC1	ZINC000328699993	259054235	/nfs/dbraw/zinc/05/42/35/259054235.db2.gz	ILFWISAIIACRAF-PBHICJAKSA-N	1	0	352.442	1.511	20	30		FDEDRO
C[C@@H]1C[N@H+](C)[C@@H](C)CN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000331542686	259202806	/nfs/dbraw/zinc/20/28/06/259202806.db2.gz	GTFFTEBMBYHHEZ-LSDHHAIUSA-N	1	0	352.442	1.707	20	30		FDEDRO
CC(=O)N[C@H](C)C1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000331683969	259212490	/nfs/dbraw/zinc/21/24/90/259212490.db2.gz	QSAGOENJJAOIIN-KUHUBIRLSA-N	1	0	354.454	1.900	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCCO[C@H](C[NH3+])C2)cc1Br	ZINC000332236669	259251532	/nfs/dbraw/zinc/25/15/32/259251532.db2.gz	RUTJSWYPGJGGKO-LLVKDONJSA-N	1	0	374.260	1.059	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccccc1C#N)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1	ZINC000332086093	259240483	/nfs/dbraw/zinc/24/04/83/259240483.db2.gz	QZLSDMUSPXFONL-IRXDYDNUSA-N	1	0	369.513	1.986	20	30		FDEDRO
CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)s1	ZINC000332192908	259248594	/nfs/dbraw/zinc/24/85/94/259248594.db2.gz	UQYQUSWPUHNFBC-AAEUAGOBSA-N	1	0	360.483	1.924	20	30		FDEDRO
CN(C)S(=O)(=O)CCCN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000332203544	259249076	/nfs/dbraw/zinc/24/90/76/259249076.db2.gz	CZKJKQBVYAHUQG-UHFFFAOYSA-N	1	0	364.515	1.347	20	30		FDEDRO
CO[C@@H]1CC[N@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)[C@H](C)C1	ZINC000332266445	259253384	/nfs/dbraw/zinc/25/33/84/259253384.db2.gz	DGQPNFRCARTVJX-UKRRQHHQSA-N	1	0	361.446	1.003	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC[C@H]1[NH3+]	ZINC000332539407	259275377	/nfs/dbraw/zinc/27/53/77/259275377.db2.gz	KISBFVLESMBILK-RDTXWAMCSA-N	1	0	352.438	1.370	20	30		FDEDRO
C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000333510357	259355626	/nfs/dbraw/zinc/35/56/26/259355626.db2.gz	FIYXRAZUSNHUMB-RRQGHBQHSA-N	1	0	355.442	1.493	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1	ZINC000333526117	259356292	/nfs/dbraw/zinc/35/62/92/259356292.db2.gz	OZBMAQUAKIGPCT-NVXWUHKLSA-N	1	0	370.453	1.138	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000333562345	259359972	/nfs/dbraw/zinc/35/99/72/259359972.db2.gz	LMWDFJZNZPXXAN-XOKHGSTOSA-N	1	0	355.442	1.351	20	30		FDEDRO
Cc1cc(S(=O)(=O)N2CCC(n3ncc4c3C[NH2+]C4)CC2)ccc1C#N	ZINC000333653128	259366735	/nfs/dbraw/zinc/36/67/35/259366735.db2.gz	ZJPSNVYQLRYQFX-UHFFFAOYSA-N	1	0	371.466	1.692	20	30		FDEDRO
Cc1cc(S(=O)(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)ccc1C#N	ZINC000333686137	259369880	/nfs/dbraw/zinc/36/98/80/259369880.db2.gz	PHWJAUMDCIZSQZ-QZTJIDSGSA-N	1	0	363.483	1.774	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1Br	ZINC000333745892	259377147	/nfs/dbraw/zinc/37/71/47/259377147.db2.gz	YHQDIKSXANSKJN-MFKMUULPSA-N	1	0	356.245	1.303	20	30		FDEDRO
C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000367344884	260028210	/nfs/dbraw/zinc/02/82/10/260028210.db2.gz	BQPIUNVSTVQHPR-WBVHZDCISA-N	1	0	374.460	1.439	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)c1	ZINC000367831943	260097986	/nfs/dbraw/zinc/09/79/86/260097986.db2.gz	LVZCLALEMUFXDN-ZDUSSCGKSA-N	1	0	370.272	1.741	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)NC2CC[NH+](Cc3ccccc3F)CC2)n1	ZINC000368620176	260210525	/nfs/dbraw/zinc/21/05/25/260210525.db2.gz	WYNCLLVNBGQLKI-UHFFFAOYSA-N	1	0	371.420	1.253	20	30		FDEDRO
C[C@@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CCCN(c2ccc(C#N)cc2)CC1	ZINC000368795517	260237819	/nfs/dbraw/zinc/23/78/19/260237819.db2.gz	PIHPMRULYFIKRS-QFBILLFUSA-N	1	0	356.470	1.754	20	30		FDEDRO
COC(=O)c1cn([C@@H]2CCC[N@H+](C[C@H](O)c3ccc(C#N)cc3)C2)nn1	ZINC000368843483	260247019	/nfs/dbraw/zinc/24/70/19/260247019.db2.gz	LYXYIQNDZISFEL-WBVHZDCISA-N	1	0	355.398	1.307	20	30		FDEDRO
COC(=O)c1cn([C@@H]2CCC[N@H+](CCOc3ccc(C#N)cc3)C2)nn1	ZINC000368863396	260250983	/nfs/dbraw/zinc/25/09/83/260250983.db2.gz	QWVTZVXYKBEKHF-OAHLLOKOSA-N	1	0	355.398	1.652	20	30		FDEDRO
N#Cc1ccc(C2(C(=O)N3CCC([N@H+]4CCC[C@H]4C(N)=O)CC3)CC2)cc1	ZINC000369025308	260279716	/nfs/dbraw/zinc/27/97/16/260279716.db2.gz	CRYZTQVJDLXYME-SFHVURJKSA-N	1	0	366.465	1.531	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)N1CCC(n2cnc(C#N)n2)CC1)c1cccs1	ZINC000369091109	260293928	/nfs/dbraw/zinc/29/39/28/260293928.db2.gz	HROJUCLTLYOTHX-AWEZNQCLSA-N	1	0	373.486	1.861	20	30		FDEDRO
CC[C@@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@@]2(CCCOC2)O1	ZINC000369533568	260385996	/nfs/dbraw/zinc/38/59/96/260385996.db2.gz	UABZJCONSVBMJU-NLWGTHIKSA-N	1	0	360.454	1.958	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](C(=O)NCCCC[NH+]3CCOCC3)C2)c(F)c1	ZINC000370562909	260569069	/nfs/dbraw/zinc/56/90/69/260569069.db2.gz	AQCBYKKCNDFNDV-KRWDZBQOSA-N	1	0	374.460	1.752	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)c1C#N	ZINC000371782230	260765954	/nfs/dbraw/zinc/76/59/54/260765954.db2.gz	UYLFNQFNQROMOK-YJBOKZPZSA-N	1	0	370.453	1.422	20	30		FDEDRO
Cn1cc(C[N@@H+]2CC[C@H]3OCC(=O)N[C@H]3C2)c(-c2ccc(C#N)cc2)n1	ZINC000373968077	261058916	/nfs/dbraw/zinc/05/89/16/261058916.db2.gz	JPNBZQPSDMUQAL-DLBZAZTESA-N	1	0	351.410	1.048	20	30		FDEDRO
C[C@H]1CN(CC(=O)NCc2cccc(C#N)c2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000374323376	261111145	/nfs/dbraw/zinc/11/11/45/261111145.db2.gz	IBMPZDXQTDXOOF-PXNSSMCTSA-N	1	0	369.513	1.132	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N3CC[NH+]4CCC3CC4)CC2)nc1	ZINC000375126999	261273445	/nfs/dbraw/zinc/27/34/45/261273445.db2.gz	HHMXFYMXCWCDAH-UHFFFAOYSA-N	1	0	354.458	1.412	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[N@@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1	ZINC000375514690	261359538	/nfs/dbraw/zinc/35/95/38/261359538.db2.gz	ZGZGOLVBFVCKBQ-VXGBXAGGSA-N	1	0	357.332	1.541	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)n1	ZINC000377227432	261748730	/nfs/dbraw/zinc/74/87/30/261748730.db2.gz	ZLNUJSWGVCTQFS-UHFFFAOYSA-N	1	0	359.478	1.447	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)n1cnc(C#N)n1	ZINC000409606033	262128900	/nfs/dbraw/zinc/12/89/00/262128900.db2.gz	CIWUOOJMCNTVOL-CYBMUJFWSA-N	1	0	356.455	1.898	20	30		FDEDRO
N#Cc1cccc(-n2ccc(C(=O)NCC3CC[NH+](CCO)CC3)n2)c1	ZINC000409848055	262142372	/nfs/dbraw/zinc/14/23/72/262142372.db2.gz	YXQJKEVNPUBDFZ-UHFFFAOYSA-N	1	0	353.426	1.178	20	30		FDEDRO
COCC[N@H+](C)CCCC1CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC1	ZINC000409872624	262143033	/nfs/dbraw/zinc/14/30/33/262143033.db2.gz	BMGYDBNCFWJROU-OAHLLOKOSA-N	1	0	362.478	1.308	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NC[C@H](O)c1ccc(Cl)c(F)c1	ZINC000270552274	674226641	/nfs/dbraw/zinc/22/66/41/674226641.db2.gz	GLTABORYCSGBKC-HNNXBMFYSA-N	1	0	358.845	1.139	20	30		FDEDRO
C[NH+](C)Cc1cccc(C(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)c1	ZINC000972088781	782053671	/nfs/dbraw/zinc/05/36/71/782053671.db2.gz	RBLSRZZTZNGELG-WOJBJXKFSA-N	1	0	365.477	1.835	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@H]21	ZINC000972089496	782057000	/nfs/dbraw/zinc/05/70/00/782057000.db2.gz	YPGFFSIWUUIJDN-GGPKGHCWSA-N	1	0	355.482	1.334	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@H]1[NH+](C)C	ZINC000271099697	674309544	/nfs/dbraw/zinc/30/95/44/674309544.db2.gz	MRRMZIMAHKKVJE-CHWSQXEVSA-N	1	0	361.439	1.503	20	30		FDEDRO
N#CCCCCS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO	ZINC000271200675	674321533	/nfs/dbraw/zinc/32/15/33/674321533.db2.gz	IWILWJNWMPSSLA-ROUUACIJSA-N	1	0	365.499	1.483	20	30		FDEDRO
CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1	ZINC000525836644	490640661	/nfs/dbraw/zinc/64/06/61/490640661.db2.gz	WNZDMLCUXXLQOC-UHFFFAOYSA-N	1	0	360.462	1.314	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000513160884	490711685	/nfs/dbraw/zinc/71/16/85/490711685.db2.gz	QHWXQTKXDRANBS-LBPRGKRZSA-N	1	0	370.388	1.032	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)nn1CCC#N	ZINC000504634716	490807337	/nfs/dbraw/zinc/80/73/37/490807337.db2.gz	NBQNZXNDEHSQIR-UHFFFAOYSA-N	1	0	360.462	1.469	20	30		FDEDRO
C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1	ZINC000515650119	490834843	/nfs/dbraw/zinc/83/48/43/490834843.db2.gz	JIYFQMNXRJFTQG-GHMZBOCLSA-N	1	0	374.832	1.578	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)NC[C@@H]3C[NH2+]CCCO3)n2)c(F)c1	ZINC000516162983	490853857	/nfs/dbraw/zinc/85/38/57/490853857.db2.gz	LRMWLLNMRRWSTB-ZDUSSCGKSA-N	1	0	358.377	1.383	20	30		FDEDRO
CC[NH+]1CCN(CC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1	ZINC000543918552	490951167	/nfs/dbraw/zinc/95/11/67/490951167.db2.gz	DMZAJGLDVZAYRO-UHFFFAOYSA-N	1	0	356.405	1.459	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](CO)c2ccc(Br)cc2)CC1	ZINC000271267181	674329732	/nfs/dbraw/zinc/32/97/32/674329732.db2.gz	CLISVKFGWLXRRW-INIZCTEOSA-N	1	0	365.271	1.944	20	30		FDEDRO
Cn1cc(C#N)c(NC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)n1	ZINC000610563809	492252133	/nfs/dbraw/zinc/25/21/33/492252133.db2.gz	HJQLPPCOTALSHB-UHFFFAOYSA-N	1	0	368.441	1.570	20	30		FDEDRO
Cn1cc(C#N)c(NC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)n1	ZINC000611621344	492291512	/nfs/dbraw/zinc/29/15/12/492291512.db2.gz	RZAYPUXTRQVEJK-MRXNPFEDSA-N	1	0	354.414	1.180	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1	ZINC000024804183	519016863	/nfs/dbraw/zinc/01/68/63/519016863.db2.gz	DYSIQKNSVODUHL-HUUCEWRRSA-N	1	0	358.442	1.737	20	30		FDEDRO
CC(C)[C@H](CNS(=O)(=O)N(C)CCC#N)[N@@H+]1CCc2ccccc2C1	ZINC000028318908	519231004	/nfs/dbraw/zinc/23/10/04/519231004.db2.gz	UPXPGRXVOQSUBH-SFHVURJKSA-N	1	0	364.515	1.749	20	30		FDEDRO
CCCNC(=O)C1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000042761106	521780336	/nfs/dbraw/zinc/78/03/36/521780336.db2.gz	MPZVZKWHVHGJCQ-SFHVURJKSA-N	1	0	359.470	1.731	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1	ZINC000069122204	521809867	/nfs/dbraw/zinc/80/98/67/521809867.db2.gz	ZBRBRUUPLDODSM-INIZCTEOSA-N	1	0	358.442	1.278	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCNC(=O)C3CC3)CC2)cc1	ZINC000043308909	521850421	/nfs/dbraw/zinc/85/04/21/521850421.db2.gz	FPNLQXTZTMUWLA-UHFFFAOYSA-N	1	0	369.469	1.302	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000069741755	521945368	/nfs/dbraw/zinc/94/53/68/521945368.db2.gz	PNGUQTYKRUZTKI-AEFFLSMTSA-N	1	0	357.454	1.896	20	30		FDEDRO
Cc1nc(C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)ccc1C#N	ZINC000069919048	521977227	/nfs/dbraw/zinc/97/72/27/521977227.db2.gz	YHSVOBQTMCTEGN-UHFFFAOYSA-N	1	0	365.393	1.984	20	30		FDEDRO
CC(C)C[NH+]1CCC(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1	ZINC000045462307	522098492	/nfs/dbraw/zinc/09/84/92/522098492.db2.gz	JMNVGMHAOLJJAP-UHFFFAOYSA-N	1	0	370.501	1.905	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1	ZINC000057720872	522145545	/nfs/dbraw/zinc/14/55/45/522145545.db2.gz	OEROZOBOQJXUNW-ZDUSSCGKSA-N	1	0	351.472	1.363	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)NCc3cccc(C#N)c3)cn2)CC1	ZINC000057725391	522146294	/nfs/dbraw/zinc/14/62/94/522146294.db2.gz	FKLIRLPHPMSRSW-UHFFFAOYSA-N	1	0	364.453	1.704	20	30		FDEDRO
CC[C@H](CO)[NH+]1CCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1	ZINC000072797385	522383994	/nfs/dbraw/zinc/38/39/94/522383994.db2.gz	KWIIBLHGKRCBFJ-SFANZJOMSA-N	1	0	364.534	1.694	20	30		FDEDRO
CC[C@@H](CO)[NH+]1CCN(CC(=O)N(CCC#N)c2ccc(C)c(C)c2)CC1	ZINC000072798158	522385749	/nfs/dbraw/zinc/38/57/49/522385749.db2.gz	FHYFSWMRSQBPCT-IBGZPJMESA-N	1	0	372.513	1.939	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+](CCCC)CC(N)=O)c(OC)c1	ZINC000048048453	522658374	/nfs/dbraw/zinc/65/83/74/522658374.db2.gz	NGQYHSKWERQNDO-MRXNPFEDSA-N	1	0	350.459	1.751	20	30		FDEDRO
C[NH+](C)C1(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)CCOCC1	ZINC000074357595	522760988	/nfs/dbraw/zinc/76/09/88/522760988.db2.gz	CWENOWYJQWAYRU-UHFFFAOYSA-N	1	0	357.863	1.601	20	30		FDEDRO
N#CCOc1cccc(NC(=O)C(=O)NCCC[NH+]2CCCCCC2)c1	ZINC000048848076	522788272	/nfs/dbraw/zinc/78/82/72/522788272.db2.gz	KGLICPITMKRKTF-UHFFFAOYSA-N	1	0	358.442	1.910	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3ncccc3C#N)CC2)C1	ZINC000065441775	522821882	/nfs/dbraw/zinc/82/18/82/522821882.db2.gz	CSHSLRKHYQPWLX-MRXNPFEDSA-N	1	0	356.474	1.515	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000050150308	522893109	/nfs/dbraw/zinc/89/31/09/522893109.db2.gz	DCVHVUUBGAQHNY-OKILXGFUSA-N	1	0	374.441	1.121	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)C(C3CC3)C3CC3)CC2)o1	ZINC000050988822	522955011	/nfs/dbraw/zinc/95/50/11/522955011.db2.gz	KROQMIZJKSPTSC-UHFFFAOYSA-N	1	0	357.458	1.624	20	30		FDEDRO
N#Cc1cnn(-c2ccc(C(=O)N3CCN(c4cc[nH+]cc4)CC3)cc2)c1N	ZINC000066239765	522995834	/nfs/dbraw/zinc/99/58/34/522995834.db2.gz	BLAIKKGINUTOIV-UHFFFAOYSA-N	1	0	373.420	1.684	20	30		FDEDRO
COCCNC(=[NH2+])NCCc1ccc(I)s1	ZINC000076105851	523022401	/nfs/dbraw/zinc/02/24/01/523022401.db2.gz	YRUNIFBLMNGWES-UHFFFAOYSA-N	1	0	353.229	1.446	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)Cc2ccc(C#N)cc2)c1	ZINC000066463871	523065085	/nfs/dbraw/zinc/06/50/85/523065085.db2.gz	LVGTYYFCUWXVQI-UHFFFAOYSA-N	1	0	364.449	1.709	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1	ZINC000076283275	523065270	/nfs/dbraw/zinc/06/52/70/523065270.db2.gz	KTRZFFYPFVHJIY-INIZCTEOSA-N	1	0	373.428	1.863	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	ZINC000076589380	523141504	/nfs/dbraw/zinc/14/15/04/523141504.db2.gz	DITIKCKJMAFVFE-MQVJKMGUSA-N	1	0	373.428	1.908	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)CC2)c1	ZINC000076982537	523224002	/nfs/dbraw/zinc/22/40/02/523224002.db2.gz	LXWVQQHDPONWJQ-QGZVFWFLSA-N	1	0	354.458	1.269	20	30		FDEDRO
CCS(=O)(=O)N(C)C1CC[NH+](CCOc2cccc(C#N)c2)CC1	ZINC000066878778	523240980	/nfs/dbraw/zinc/24/09/80/523240980.db2.gz	PUDPKXNIOGJZFO-UHFFFAOYSA-N	1	0	351.472	1.683	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1	ZINC000077614224	523395717	/nfs/dbraw/zinc/39/57/17/523395717.db2.gz	UMOXNXZESJSNAI-IEBWSBKVSA-N	1	0	356.470	1.758	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C	ZINC000067372945	523412545	/nfs/dbraw/zinc/41/25/45/523412545.db2.gz	BVBDRJPZAWZEFZ-HNNXBMFYSA-N	1	0	360.458	1.988	20	30		FDEDRO
C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1	ZINC000077685082	523414129	/nfs/dbraw/zinc/41/41/29/523414129.db2.gz	YZGHISLOICYSIF-UHFFFAOYSA-N	1	0	362.433	1.630	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NCCCC[NH+]3CCOCC3)cc2C1=O	ZINC000053449531	523434409	/nfs/dbraw/zinc/43/44/09/523434409.db2.gz	YZFQGUPGTCOOFA-UHFFFAOYSA-N	1	0	371.437	1.311	20	30		FDEDRO
C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)Cn3cnc(C#N)n3)cc2)C1	ZINC000053620625	523476089	/nfs/dbraw/zinc/47/60/89/523476089.db2.gz	DGOLGEIBZYNVCE-HZPDHXFCSA-N	1	0	366.469	1.944	20	30		FDEDRO
Cn1c(NCc2ccccc2C[NH+]2CCCC2)c(C#N)c(=O)n(C)c1=O	ZINC000054369096	523629800	/nfs/dbraw/zinc/62/98/00/523629800.db2.gz	GSPXBYZUYRFRTD-UHFFFAOYSA-N	1	0	353.426	1.164	20	30		FDEDRO
Cc1nc(C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)ccc1C#N	ZINC000068024061	523671023	/nfs/dbraw/zinc/67/10/23/523671023.db2.gz	ZZGGSPVUAPXRIB-FQEVSTJZSA-N	1	0	363.465	1.980	20	30		FDEDRO
C[C@H](C(=O)NC(=O)NC1CC1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000054643346	523671736	/nfs/dbraw/zinc/67/17/36/523671736.db2.gz	WLQCHNUBLLJGCS-OAHLLOKOSA-N	1	0	369.469	1.443	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCc2c[nH]nc2C1	ZINC000079609445	523772164	/nfs/dbraw/zinc/77/21/64/523772164.db2.gz	RAILKNKJODXWLS-KRWDZBQOSA-N	1	0	351.454	1.977	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CC[NH+](CC4CC4)CC3)cc2C1=O	ZINC000055668449	523844792	/nfs/dbraw/zinc/84/47/92/523844792.db2.gz	QNQBCNDGWHYKRF-UHFFFAOYSA-N	1	0	353.422	1.636	20	30		FDEDRO
C[C@H]1C[C@@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)CC[N@@H+]1Cc1ccccc1	ZINC000080230883	523853750	/nfs/dbraw/zinc/85/37/50/523853750.db2.gz	HJABIESISIXLLO-HOCLYGCPSA-N	1	0	367.453	1.421	20	30		FDEDRO
C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)C1	ZINC000080656682	523895951	/nfs/dbraw/zinc/89/59/51/523895951.db2.gz	XKFGIEWNSQXDES-KRWDZBQOSA-N	1	0	354.454	1.478	20	30		FDEDRO
N#CCCN(CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)CC1CC1	ZINC000081043605	523935108	/nfs/dbraw/zinc/93/51/08/523935108.db2.gz	OCVKUTZHMLESKL-UHFFFAOYSA-N	1	0	362.518	1.763	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC000081062915	523937377	/nfs/dbraw/zinc/93/73/77/523937377.db2.gz	OOWSCFNQPQJSNI-MRXNPFEDSA-N	1	0	365.437	1.846	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000081085402	523939353	/nfs/dbraw/zinc/93/93/53/523939353.db2.gz	BPKNDMBOADNPMX-GOSISDBHSA-N	1	0	351.454	1.615	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1	ZINC000120922513	524096655	/nfs/dbraw/zinc/09/66/55/524096655.db2.gz	BWCMZMRQMATHDF-HNNXBMFYSA-N	1	0	362.455	1.043	20	30		FDEDRO
C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C[NH+]1CCCC1	ZINC000156615675	524116699	/nfs/dbraw/zinc/11/66/99/524116699.db2.gz	LRPKRBVATBTSBL-GFCCVEGCSA-N	1	0	352.416	1.477	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@H](S(=O)(=O)N2CCCC2)C1	ZINC000135669476	524161465	/nfs/dbraw/zinc/16/14/65/524161465.db2.gz	KVEPSHAEYFKLBM-CVEARBPZSA-N	1	0	357.520	1.299	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000081659498	524165312	/nfs/dbraw/zinc/16/53/12/524165312.db2.gz	DZLTUMKQSOLRMC-UHFFFAOYSA-N	1	0	365.481	1.834	20	30		FDEDRO
Cc1oc(NC(=O)C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)c(C#N)c1C	ZINC000156934438	524176325	/nfs/dbraw/zinc/17/63/25/524176325.db2.gz	UKEKQLHZSGGTEZ-UHFFFAOYSA-N	1	0	368.459	1.062	20	30		FDEDRO
C=CCNc1ncc(C(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)s1	ZINC000136318241	524194604	/nfs/dbraw/zinc/19/46/04/524194604.db2.gz	WURGIRZNAUBOMM-CQSZACIVSA-N	1	0	351.520	1.744	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C3N=NC(=S)N3C3CC3)C2)CC1	ZINC000111138346	524205630	/nfs/dbraw/zinc/20/56/30/524205630.db2.gz	XAPLKXISHZWTHE-HNNXBMFYSA-N	1	0	373.526	1.953	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CNC(=O)c1c(F)cccc1Cl	ZINC000137044023	524226478	/nfs/dbraw/zinc/22/64/78/524226478.db2.gz	QBQFGKRCOIQEPH-UHFFFAOYSA-N	1	0	368.840	1.903	20	30		FDEDRO
C=CC1CC[NH+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000111259065	524237881	/nfs/dbraw/zinc/23/78/81/524237881.db2.gz	PTDRJDYAAOYRBA-UHFFFAOYSA-N	1	0	365.499	1.281	20	30		FDEDRO
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000083170702	524241599	/nfs/dbraw/zinc/24/15/99/524241599.db2.gz	VOIMBYPIBBMQAE-LJQANCHMSA-N	1	0	370.453	1.012	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)[C@@H]1CCN(c2c(F)cccc2F)C1=O	ZINC000121388889	524243107	/nfs/dbraw/zinc/24/31/07/524243107.db2.gz	OXNIDYKNDCKJPR-OAHLLOKOSA-N	1	0	374.395	1.812	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000157333775	524254057	/nfs/dbraw/zinc/25/40/57/524254057.db2.gz	HONXMIMQVYXENG-LBPRGKRZSA-N	1	0	356.879	1.126	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2=O)CC1	ZINC000172732947	524266023	/nfs/dbraw/zinc/26/60/23/524266023.db2.gz	MFCGHDZMPLNTQL-IBGZPJMESA-N	1	0	353.466	1.952	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCc3c(cccc3N3CCOC3=O)C2)CC1	ZINC000172985288	524297029	/nfs/dbraw/zinc/29/70/29/524297029.db2.gz	OXZGNPSWLMWFQD-UHFFFAOYSA-N	1	0	367.449	1.873	20	30		FDEDRO
C[N@H+](CCCNC(=O)C(=O)Nc1ccn(CCC#N)n1)Cc1ccccc1	ZINC000086445818	524389845	/nfs/dbraw/zinc/38/98/45/524389845.db2.gz	LPCKVNDJAAFTIG-UHFFFAOYSA-N	1	0	368.441	1.374	20	30		FDEDRO
CCC[C@@H]1CN(CC(=O)Nc2sccc2C#N)CC[N@@H+]1CCOC	ZINC000121964575	524418777	/nfs/dbraw/zinc/41/87/77/524418777.db2.gz	VYYSIACNJJOQQH-OAHLLOKOSA-N	1	0	350.488	1.991	20	30		FDEDRO
Cn1cc(C(N)=O)cc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000122052621	524441257	/nfs/dbraw/zinc/44/12/57/524441257.db2.gz	RIOOKUGRCNGSCX-UHFFFAOYSA-N	1	0	353.426	1.200	20	30		FDEDRO
CC[C@@H](CO)[NH+]1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1	ZINC000173737453	524449560	/nfs/dbraw/zinc/44/95/60/524449560.db2.gz	WHASLPBADVKYKO-HNNXBMFYSA-N	1	0	350.850	1.539	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cc(F)c(F)c(F)c1	ZINC000122120345	524456167	/nfs/dbraw/zinc/45/61/67/524456167.db2.gz	VYWKETLHHSKQIO-UHFFFAOYSA-N	1	0	356.348	1.736	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc2ncsc2c1	ZINC000122131431	524458167	/nfs/dbraw/zinc/45/81/67/524458167.db2.gz	MJRGDYKGPMSKJF-UHFFFAOYSA-N	1	0	359.455	1.929	20	30		FDEDRO
COCc1ccccc1NC(=[NH2+])NCc1cccnc1N1CCN(C)CC1	ZINC000122126357	524458619	/nfs/dbraw/zinc/45/86/19/524458619.db2.gz	PRZUZOWYLFWATC-UHFFFAOYSA-N	1	0	368.485	1.907	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(S(N)(=O)=O)c(C)o1)C(C)C	ZINC000088676840	524463648	/nfs/dbraw/zinc/46/36/48/524463648.db2.gz	IXVBAOPSUKYQNF-CQSZACIVSA-N	1	0	369.487	1.664	20	30		FDEDRO
COc1cc(F)ccc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000122171014	524469682	/nfs/dbraw/zinc/46/96/82/524469682.db2.gz	QCMGZHJBUHBXJC-UHFFFAOYSA-N	1	0	350.394	1.467	20	30		FDEDRO
C[NH+]=C(NCCc1ccn(-c2ccc(F)cc2)n1)NCCN1CCOCC1	ZINC000173928424	524488690	/nfs/dbraw/zinc/48/86/90/524488690.db2.gz	HYTLGSHPKRXJRP-UHFFFAOYSA-N	1	0	374.464	1.051	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)CC1	ZINC000122352534	524515827	/nfs/dbraw/zinc/51/58/27/524515827.db2.gz	LBIRNPLTGKHRGU-UHFFFAOYSA-N	1	0	350.422	1.935	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H](NC(C)=O)c2ccccc2)c1C#N	ZINC000089674657	524518407	/nfs/dbraw/zinc/51/84/07/524518407.db2.gz	FWJSJFQRTXRKRN-QGZVFWFLSA-N	1	0	368.441	1.639	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)c1C#N	ZINC000089677009	524520154	/nfs/dbraw/zinc/52/01/54/524520154.db2.gz	PFUODBSLDAPFTE-UHFFFAOYSA-N	1	0	356.386	1.831	20	30		FDEDRO
C[C@@H]1CCC[C@@](CNC(=O)CCNC(=O)C2N=CC=CC2=O)([NH+](C)C)C1	ZINC000174203746	524527442	/nfs/dbraw/zinc/52/74/42/524527442.db2.gz	VHXHVGGYTVZOHZ-XKRQNZCKSA-N	1	0	362.474	1.530	20	30		FDEDRO
COCc1ccc(CNC(=O)CO[NH+]=C(N)c2ccc(N(C)C)cc2)cc1	ZINC000151286015	524548230	/nfs/dbraw/zinc/54/82/30/524548230.db2.gz	RDKLGZGCYNYESI-UHFFFAOYSA-N	1	0	370.453	1.852	20	30		FDEDRO
COCc1cccc(CNC(=O)CO[NH+]=C(N)c2ccc(N(C)C)cc2)c1	ZINC000151288315	524550107	/nfs/dbraw/zinc/55/01/07/524550107.db2.gz	UTQZCPBHKCNGJR-UHFFFAOYSA-N	1	0	370.453	1.852	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)N[C@H](c1ccccc1)C1CC1	ZINC000089943843	524556981	/nfs/dbraw/zinc/55/69/81/524556981.db2.gz	YCGOFLXYOGYXQM-LJQANCHMSA-N	1	0	366.469	1.995	20	30		FDEDRO
N#Cc1cc(Cl)ccc1S(=O)(=O)NCCC[NH+]1CCC(O)CC1	ZINC000159004734	524572475	/nfs/dbraw/zinc/57/24/75/524572475.db2.gz	XTVJFJUVBQBJBB-UHFFFAOYSA-N	1	0	357.863	1.337	20	30		FDEDRO
C=CCC[C@H](CCC)[NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1	ZINC000090026847	524574036	/nfs/dbraw/zinc/57/40/36/524574036.db2.gz	KGIIQPSXLHRHNQ-INIZCTEOSA-N	1	0	359.536	1.752	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1	ZINC000151856494	524707057	/nfs/dbraw/zinc/70/70/57/524707057.db2.gz	HPGWAHOACWPTFH-JSGCOSHPSA-N	1	0	359.401	1.518	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1	ZINC000160040105	524794012	/nfs/dbraw/zinc/79/40/12/524794012.db2.gz	WGMOBBNJCDTRHN-UHFFFAOYSA-N	1	0	358.442	1.884	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1	ZINC000175016678	524836658	/nfs/dbraw/zinc/83/66/58/524836658.db2.gz	YDQZDAJDHISKSA-INIZCTEOSA-N	1	0	360.458	1.303	20	30		FDEDRO
N#CCc1ccc(NC(=O)NCCCC[NH+]2CCN(CCO)CC2)cc1	ZINC000114602660	524842131	/nfs/dbraw/zinc/84/21/31/524842131.db2.gz	OBWSQBCJFGXZSM-UHFFFAOYSA-N	1	0	359.474	1.264	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1	ZINC000123886523	524852542	/nfs/dbraw/zinc/85/25/42/524852542.db2.gz	QDHRLZNBKMFOBY-XHSDSOJGSA-N	1	0	371.489	1.441	20	30		FDEDRO
CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1cc(C#N)ccc1C	ZINC000114739978	524868386	/nfs/dbraw/zinc/86/83/86/524868386.db2.gz	VENNAPZPNMMQPJ-UHFFFAOYSA-N	1	0	353.488	1.846	20	30		FDEDRO
CC(C)CCO[C@@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1	ZINC000092619049	524901667	/nfs/dbraw/zinc/90/16/67/524901667.db2.gz	ZBWUMEPPMDYZQV-MOPGFXCFSA-N	1	0	364.534	1.816	20	30		FDEDRO
Cc1nc(-c2cccc(C#N)c2)nn1C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000152508499	524908500	/nfs/dbraw/zinc/90/85/00/524908500.db2.gz	WAYTZBWQUFDXLR-IYOUNJFTSA-N	1	0	355.442	1.595	20	30		FDEDRO
Cn1cnn(-c2ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc2)c1=O	ZINC000092837176	524921035	/nfs/dbraw/zinc/92/10/35/524921035.db2.gz	FOARCTNQSIFGPB-UHFFFAOYSA-N	1	0	371.445	1.270	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1	ZINC000152565070	524926895	/nfs/dbraw/zinc/92/68/95/524926895.db2.gz	DLKMNDLWJPSEDW-GOSISDBHSA-N	1	0	355.438	1.077	20	30		FDEDRO
CCN1CC[NH+](CCCCNC(=O)NCc2cc(C#N)ccc2F)CC1	ZINC000175532412	524974021	/nfs/dbraw/zinc/97/40/21/524974021.db2.gz	UCWNZVVWJZVOOZ-UHFFFAOYSA-N	1	0	361.465	1.914	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)cc1	ZINC000093261114	524975597	/nfs/dbraw/zinc/97/55/97/524975597.db2.gz	KLQCWXKUIAPXGP-LJQANCHMSA-N	1	0	366.421	1.629	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1	ZINC000115439567	524999171	/nfs/dbraw/zinc/99/91/71/524999171.db2.gz	BJTWBFJEWCRTQF-HNNXBMFYSA-N	1	0	365.499	1.565	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC(OCCC[NH+](C)C)CC2)CC1	ZINC000175742867	525000058	/nfs/dbraw/zinc/00/00/58/525000058.db2.gz	JLOXUFCNLQUKPN-UHFFFAOYSA-N	1	0	352.523	1.779	20	30		FDEDRO
COc1ccc(CC[NH2+]Cc2cc(C#N)cs2)cc1S(N)(=O)=O	ZINC000094013851	525009035	/nfs/dbraw/zinc/00/90/35/525009035.db2.gz	MDLWEXBFVYIRNP-UHFFFAOYSA-N	1	0	351.453	1.608	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(CC(=O)N(CCC#N)c2ccccc2)CC1	ZINC000115549955	525018792	/nfs/dbraw/zinc/01/87/92/525018792.db2.gz	NEHCUNOKWDPJFE-UHFFFAOYSA-N	1	0	358.486	1.712	20	30		FDEDRO
CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000115819450	525067870	/nfs/dbraw/zinc/06/78/70/525067870.db2.gz	OUERQWMJJMQUNP-QGZVFWFLSA-N	1	0	370.501	1.905	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1CCCO[C@H]1c1ccc(C)cc1	ZINC000176650465	525160207	/nfs/dbraw/zinc/16/02/07/525160207.db2.gz	GFJRFJWCBJDPKZ-PMACEKPBSA-N	1	0	374.529	1.960	20	30		FDEDRO
C[N@@H+]1CCCN(C(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)CC1	ZINC000161989704	525196581	/nfs/dbraw/zinc/19/65/81/525196581.db2.gz	MVOHGPHRNVCLBA-UHFFFAOYSA-N	1	0	369.450	1.784	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1	ZINC000177470459	525294779	/nfs/dbraw/zinc/29/47/79/525294779.db2.gz	OUNWKLVGLVHSGQ-HZPDHXFCSA-N	1	0	363.483	1.201	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCCNC(=O)CCc2ccc(C)cc2)CC1	ZINC000102907010	525314384	/nfs/dbraw/zinc/31/43/84/525314384.db2.gz	DJCVIPQSXHYKHE-UHFFFAOYSA-N	1	0	356.466	1.932	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)CC1	ZINC000103449105	525352528	/nfs/dbraw/zinc/35/25/28/525352528.db2.gz	HWORFYCKEIMYKL-INIZCTEOSA-N	1	0	372.469	1.338	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)cc1	ZINC000103449133	525353120	/nfs/dbraw/zinc/35/31/20/525353120.db2.gz	NRKMCXWHPRBXQF-UHFFFAOYSA-N	1	0	359.470	1.878	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(CCC)C2CC[NH2+]CC2)c1	ZINC000163264095	525383412	/nfs/dbraw/zinc/38/34/12/525383412.db2.gz	CFPFMVHOLZSSGR-UHFFFAOYSA-N	1	0	365.499	1.755	20	30		FDEDRO
C[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)N1CCc2sccc2C1	ZINC000104173544	525397078	/nfs/dbraw/zinc/39/70/78/525397078.db2.gz	QGFGEBOVXFHMPM-HNNXBMFYSA-N	1	0	365.547	1.121	20	30		FDEDRO
COc1ccc(OCCCNC(=[NH2+])NCCCN2CCOCC2)cc1	ZINC000104178533	525397678	/nfs/dbraw/zinc/39/76/78/525397678.db2.gz	GOGADLGAGCPTDG-UHFFFAOYSA-N	1	0	350.463	1.091	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1	ZINC000127731422	525454352	/nfs/dbraw/zinc/45/43/52/525454352.db2.gz	AWLYPSZRWJHHCO-GDBMZVCRSA-N	1	0	365.499	1.706	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)n1	ZINC000154409626	525525713	/nfs/dbraw/zinc/52/57/13/525525713.db2.gz	BSACDZVDWRWFJM-OAHLLOKOSA-N	1	0	360.462	1.607	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)N2C(=O)NC3(CCCC3)C2=O)CC1	ZINC000106035166	525554547	/nfs/dbraw/zinc/55/45/47/525554547.db2.gz	OKNRDWHITZBOFO-CQSZACIVSA-N	1	0	362.474	1.396	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN([C@@H](C)C(=O)Nc3cccc(C#N)c3)C2)CC1	ZINC000118835119	525555872	/nfs/dbraw/zinc/55/58/72/525555872.db2.gz	CSCOUWPOJVKXMO-LPHOPBHVSA-N	1	0	355.486	1.597	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCC2CCN(S(=O)(=O)CC3(C#N)CC3)CC2)C[C@H](C)O1	ZINC000165885701	525564544	/nfs/dbraw/zinc/56/45/44/525564544.db2.gz	NOYJLXDQYISVNV-IYBDPMFKSA-N	1	0	369.531	1.831	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)CC1	ZINC000128672309	525569166	/nfs/dbraw/zinc/56/91/66/525569166.db2.gz	WMRLMWCSDOVAPX-QYZOEREBSA-N	1	0	372.517	1.649	20	30		FDEDRO
Cn1cc(C(N)=O)cc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000128884750	525587973	/nfs/dbraw/zinc/58/79/73/525587973.db2.gz	RSCLASZTSJIPAI-UHFFFAOYSA-N	1	0	353.426	1.200	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCC2CC[NH+](C)CC2)cc1	ZINC000129026776	525606616	/nfs/dbraw/zinc/60/66/16/525606616.db2.gz	IOQRXOVHZLUHNW-UHFFFAOYSA-N	1	0	351.472	1.223	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CS(=O)(=O)NC2CCC(C)CC2)CC1	ZINC000106290858	525687903	/nfs/dbraw/zinc/68/79/03/525687903.db2.gz	JGINFUVNULWVMD-UHFFFAOYSA-N	1	0	371.547	1.641	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CC[C@@H]([NH+]2CCCC2)C1	ZINC000170739711	525696677	/nfs/dbraw/zinc/69/66/77/525696677.db2.gz	VUEUCJBMCCTAHL-GOSISDBHSA-N	1	0	364.453	1.853	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2-n2ccnn2)CC1	ZINC000106349084	525699689	/nfs/dbraw/zinc/69/96/89/525699689.db2.gz	AFVCIVHDORJSMG-UHFFFAOYSA-N	1	0	368.441	1.363	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@@H]2C[NH+]2CCCC2)CC1	ZINC000180605739	525727785	/nfs/dbraw/zinc/72/77/85/525727785.db2.gz	WQLXCQMPAQKVTK-MOPGFXCFSA-N	1	0	361.534	1.239	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O	ZINC000180751868	525750301	/nfs/dbraw/zinc/75/03/01/525750301.db2.gz	PBMMPSSNCFDKBE-HDICACEKSA-N	1	0	367.449	1.304	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(O)(C(F)(F)F)CC2)cc1	ZINC000119470918	525757012	/nfs/dbraw/zinc/75/70/12/525757012.db2.gz	WXNKNYXYICSICZ-AWEZNQCLSA-N	1	0	358.360	1.882	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCCn2c3ccccc3oc2=O)CC1	ZINC000106562929	525758457	/nfs/dbraw/zinc/75/84/57/525758457.db2.gz	PEPQLLNTOQVPJI-UHFFFAOYSA-N	1	0	358.442	1.934	20	30		FDEDRO
C[C@@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)C[NH+]1CCN(C)CC1	ZINC000130471733	525760163	/nfs/dbraw/zinc/76/01/63/525760163.db2.gz	LYXKJTZNZAMVDM-INIZCTEOSA-N	1	0	358.486	1.715	20	30		FDEDRO
C#CCCCCNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-]	ZINC000130502760	525764621	/nfs/dbraw/zinc/76/46/21/525764621.db2.gz	NPPCLDWEXDMPQC-UHFFFAOYSA-N	1	0	368.459	1.650	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)cc1	ZINC000119613473	525806381	/nfs/dbraw/zinc/80/63/81/525806381.db2.gz	WOEBMQOQHHWWEE-ROUUACIJSA-N	1	0	355.442	1.496	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1	ZINC000119682619	525827135	/nfs/dbraw/zinc/82/71/35/525827135.db2.gz	UHWUKXUYNFSXTE-UHFFFAOYSA-N	1	0	355.435	1.165	20	30		FDEDRO
C=C(C)C[N@@H+](C)CC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1	ZINC000181294831	525835449	/nfs/dbraw/zinc/83/54/49/525835449.db2.gz	VFQNYXARQKMAKP-UHFFFAOYSA-N	1	0	372.513	1.894	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)c1ccccc1	ZINC000171106029	525847896	/nfs/dbraw/zinc/84/78/96/525847896.db2.gz	UASORJNIHUUHFS-SFHVURJKSA-N	1	0	350.422	1.707	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1	ZINC000131554396	525872644	/nfs/dbraw/zinc/87/26/44/525872644.db2.gz	CERQZGYQYONFLE-UHFFFAOYSA-N	1	0	360.433	1.736	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCC[NH+]1CCCCC1	ZINC000181657024	525885308	/nfs/dbraw/zinc/88/53/08/525885308.db2.gz	PRPKRGHBBGUVOA-HNNXBMFYSA-N	1	0	358.442	1.908	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCC[NH+]1CCC(C)CC1	ZINC000181665682	525887982	/nfs/dbraw/zinc/88/79/82/525887982.db2.gz	DUBDGCCBNRPKJK-OAHLLOKOSA-N	1	0	358.442	1.764	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCOCC3(CCOCC3)C2)CC1	ZINC000181719933	525906335	/nfs/dbraw/zinc/90/63/35/525906335.db2.gz	PRDKCWOBBYNLIN-UHFFFAOYSA-N	1	0	351.491	1.866	20	30		FDEDRO
C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCO[C@H](C#N)C1	ZINC000155583683	525911634	/nfs/dbraw/zinc/91/16/34/525911634.db2.gz	NWWHULZTMIXARF-QFBILLFUSA-N	1	0	356.470	1.380	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CC(=O)Nc2cccc(C#N)c2)CC1	ZINC000120057713	525946870	/nfs/dbraw/zinc/94/68/70/525946870.db2.gz	LKOPNZKYYCKVJG-HDICACEKSA-N	1	0	369.513	1.987	20	30		FDEDRO
C#CCOc1cccc(NC(=O)N2CC[C@H](N3CC[NH+](CC)CC3)C2)c1	ZINC000108518883	525979712	/nfs/dbraw/zinc/97/97/12/525979712.db2.gz	VFDLNVVPBXZDIR-SFHVURJKSA-N	1	0	356.470	1.942	20	30		FDEDRO
CS(=O)(=O)CCOCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000181991582	526010890	/nfs/dbraw/zinc/01/08/90/526010890.db2.gz	QXVJNJKUGKZXCO-UHFFFAOYSA-N	1	0	365.499	1.173	20	30		FDEDRO
Cc1ccc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1S(=O)(=O)NCC#N	ZINC000108796467	526027856	/nfs/dbraw/zinc/02/78/56/526027856.db2.gz	HEYFVPWFKHKYGT-ZDUSSCGKSA-N	1	0	364.471	1.009	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccccc2OCC#N)CC1	ZINC000171559783	526033143	/nfs/dbraw/zinc/03/31/43/526033143.db2.gz	YHNQLAPLLHFTNQ-UHFFFAOYSA-N	1	0	358.442	1.215	20	30		FDEDRO
CCN1CCN(C(=O)[C@H](C)[NH+]2CCC(Oc3cccc(C#N)c3)CC2)CC1	ZINC000171610694	526049073	/nfs/dbraw/zinc/04/90/73/526049073.db2.gz	SBSNGSZHJVOFKZ-KRWDZBQOSA-N	1	0	370.497	1.954	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ncn(-c3ccccc3)n2)c1C#N	ZINC000133360863	526050794	/nfs/dbraw/zinc/05/07/94/526050794.db2.gz	JNZLKFXRXSZQMX-UHFFFAOYSA-N	1	0	350.386	1.266	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)COc2ccccc2C#N)CC1	ZINC000133754108	526090764	/nfs/dbraw/zinc/09/07/64/526090764.db2.gz	AMGLTUGOVFIFPH-HDICACEKSA-N	1	0	370.497	1.954	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCCCS(=O)(=O)c2ccccc2)CC1	ZINC000171726456	526095540	/nfs/dbraw/zinc/09/55/40/526095540.db2.gz	CSTIOCYGVKFUJK-UHFFFAOYSA-N	1	0	365.499	1.800	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCc2ccc(C#N)cc2)CC1=O	ZINC000171725379	526096869	/nfs/dbraw/zinc/09/68/69/526096869.db2.gz	UEFJUJDFHJQSMA-MSOLQXFVSA-N	1	0	354.454	1.507	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2cccc(OCC(=O)N(C)C)c2)CC1	ZINC000171738206	526102882	/nfs/dbraw/zinc/10/28/82/526102882.db2.gz	AMFYQWWGMNHNIW-UHFFFAOYSA-N	1	0	360.458	1.926	20	30		FDEDRO
C=C[C@H](C)NC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1	ZINC000133902189	526106537	/nfs/dbraw/zinc/10/65/37/526106537.db2.gz	SCVHBJZGUTYSDG-ZDUSSCGKSA-N	1	0	358.442	1.013	20	30		FDEDRO
C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C#N)cc1	ZINC000134195193	526134216	/nfs/dbraw/zinc/13/42/16/526134216.db2.gz	CQQBMPASIARJEA-IBGZPJMESA-N	1	0	364.449	1.577	20	30		FDEDRO
CC[C@H]([NH2+]CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@H]1CCCO1	ZINC000182385607	526152589	/nfs/dbraw/zinc/15/25/89/526152589.db2.gz	NRQIKUYLARZJHS-GOEBONIOSA-N	1	0	361.446	1.051	20	30		FDEDRO
CC[C@H](O)C[NH+]1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000182814049	535867219	/nfs/dbraw/zinc/86/72/19/535867219.db2.gz	VZZNRGAIWFFQOL-OALUTQOASA-N	1	0	356.470	1.442	20	30		FDEDRO
CN1CC[NH+]([C@@H]2CCCCN(CC(=O)Nc3ccc(C#N)cc3)C2)CC1	ZINC000182894112	535884028	/nfs/dbraw/zinc/88/40/28/535884028.db2.gz	JJDYNIUBKYHMSH-LJQANCHMSA-N	1	0	355.486	1.599	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1	ZINC000183160595	535931203	/nfs/dbraw/zinc/93/12/03/535931203.db2.gz	FJMOTSRPALHVPJ-MRXNPFEDSA-N	1	0	362.499	1.161	20	30		FDEDRO
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1	ZINC000183160646	535931300	/nfs/dbraw/zinc/93/13/00/535931300.db2.gz	UEAKCQMSISHUDM-LJQANCHMSA-N	1	0	374.460	1.239	20	30		FDEDRO
C[C@H](O)[C@@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000183173015	535935128	/nfs/dbraw/zinc/93/51/28/535935128.db2.gz	CZRYUGHKZSGOMJ-WDYCEAGBSA-N	1	0	374.460	1.237	20	30		FDEDRO
C[C@H](O)CC[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000183181811	535937118	/nfs/dbraw/zinc/93/71/18/535937118.db2.gz	ATOKCSSDLKAYJM-GJZGRUSLSA-N	1	0	350.488	1.160	20	30		FDEDRO
C=CCN1CCC([NH2+][C@@H](C)CC(=O)N2CCC(C(=O)OCC)CC2)CC1	ZINC000183499701	535992369	/nfs/dbraw/zinc/99/23/69/535992369.db2.gz	NMARCKZFJCJVKL-INIZCTEOSA-N	1	0	365.518	1.807	20	30		FDEDRO
C#CCCCCNC(=O)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1	ZINC000184240109	536121913	/nfs/dbraw/zinc/12/19/13/536121913.db2.gz	VYGHQMOUNCRLRY-UHFFFAOYSA-N	1	0	372.469	1.743	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1cncnc1N(C)C)C(C)C	ZINC000184433932	536151067	/nfs/dbraw/zinc/15/10/67/536151067.db2.gz	SOLZUPFNIWZMOG-MRXNPFEDSA-N	1	0	374.489	1.296	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1c(C)nn(CC(F)(F)F)c1C	ZINC000185644543	536214343	/nfs/dbraw/zinc/21/43/43/536214343.db2.gz	IRPNFZKXISHEGW-SECBINFHSA-N	1	0	361.368	1.725	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(N)cc1	ZINC000185854610	536219287	/nfs/dbraw/zinc/21/92/87/536219287.db2.gz	SEIWIAVEZNJKNP-UHFFFAOYSA-N	1	0	358.467	1.893	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2cc(F)ccc2OC)CC1	ZINC000186865609	536246888	/nfs/dbraw/zinc/24/68/88/536246888.db2.gz	OMOAECTZXKUKPJ-UHFFFAOYSA-N	1	0	352.410	1.860	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCC[C@](C)(O)c2ccccc2)CC1	ZINC000186891502	536247852	/nfs/dbraw/zinc/24/78/52/536247852.db2.gz	OWMNWKJSTDMBJM-IBGZPJMESA-N	1	0	362.474	1.809	20	30		FDEDRO
CCc1n[nH]c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1[N+](=O)[O-]	ZINC000188398618	536292099	/nfs/dbraw/zinc/29/20/99/536292099.db2.gz	CLFATRQLZLQRIM-UHFFFAOYSA-N	1	0	370.413	1.956	20	30		FDEDRO
C[NH+]=C(NC[C@]1(N(C)C)CCSC1)N1CCN(c2ccccn2)CC1	ZINC000262798666	536903826	/nfs/dbraw/zinc/90/38/26/536903826.db2.gz	QGMRQOMYDGGOTD-GOSISDBHSA-N	1	0	362.547	1.216	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCS[C@@H](C)[C@H]3C)CC2)o1	ZINC000246326785	536928611	/nfs/dbraw/zinc/92/86/11/536928611.db2.gz	HSISPQRKTFDDBL-OLZOCXBDSA-N	1	0	363.487	1.329	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)Cc2ccc(C#N)cc2)CC1=O	ZINC000246376888	536940480	/nfs/dbraw/zinc/94/04/80/536940480.db2.gz	HHUSQAVKQQCXAD-RBUKOAKNSA-N	1	0	368.481	1.849	20	30		FDEDRO
N#Cc1ccc(C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1O	ZINC000188765844	536945219	/nfs/dbraw/zinc/94/52/19/536945219.db2.gz	OBRCJGKRVXOGRM-GOSISDBHSA-N	1	0	351.406	1.413	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@@H](c1c(F)cccc1F)N(C)C	ZINC000267364366	536970311	/nfs/dbraw/zinc/97/03/11/536970311.db2.gz	RTTIWXMEDVJQIW-INIZCTEOSA-N	1	0	369.460	1.065	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCCC(=O)OC(C)(C)C)cc1OC	ZINC000267468437	536977560	/nfs/dbraw/zinc/97/75/60/536977560.db2.gz	WZWKQHYKZWARBX-UHFFFAOYSA-N	1	0	351.447	1.882	20	30		FDEDRO
C[NH+]=C(NCc1ccc(S(N)(=O)=O)s1)N[C@H](C)c1ccccc1	ZINC000263232967	536997338	/nfs/dbraw/zinc/99/73/38/536997338.db2.gz	IONBQEOTPGVNBG-LLVKDONJSA-N	1	0	352.485	1.822	20	30		FDEDRO
C=CCNC(NCc1ccccc1S(=O)(=O)N1CCCCC1)=[NH+]C	ZINC000263266796	537004991	/nfs/dbraw/zinc/00/49/91/537004991.db2.gz	VMLGISJAESGYKQ-UHFFFAOYSA-N	1	0	350.488	1.712	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H](N2CCOCC2)C1	ZINC000246853735	537039958	/nfs/dbraw/zinc/03/99/58/537039958.db2.gz	FBMMCBJEWFIFQU-QFBILLFUSA-N	1	0	374.460	1.867	20	30		FDEDRO
C=CCN(CCOC)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1	ZINC000189463830	537051935	/nfs/dbraw/zinc/05/19/35/537051935.db2.gz	QRMXYQDSLSINFR-UHFFFAOYSA-N	1	0	361.486	1.987	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1	ZINC000190021276	537128649	/nfs/dbraw/zinc/12/86/49/537128649.db2.gz	HFMLMANREFNFHX-INIZCTEOSA-N	1	0	370.453	1.982	20	30		FDEDRO
[NH2+]=C(NCCCCOc1ccc(F)cc1)NCCCN1CCOCC1	ZINC000264153315	537138400	/nfs/dbraw/zinc/13/84/00/537138400.db2.gz	ZUOOTJSGFQCOGO-UHFFFAOYSA-N	1	0	352.454	1.611	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1	ZINC000264164426	537138825	/nfs/dbraw/zinc/13/88/25/537138825.db2.gz	GLAKEFJWVXWJJD-ZIAGYGMSSA-N	1	0	368.478	1.576	20	30		FDEDRO
N#Cc1c(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cn2ccccc12	ZINC000247659292	537143392	/nfs/dbraw/zinc/14/33/92/537143392.db2.gz	RHOKTZTVGLKXDH-INIZCTEOSA-N	1	0	352.438	1.882	20	30		FDEDRO
C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=[NH2+])NOC=C(O)c1cccn1C	ZINC000264964864	537150568	/nfs/dbraw/zinc/15/05/68/537150568.db2.gz	XUHUTIJRAKWBIT-LBPRGKRZSA-N	1	0	352.435	2.000	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000265492719	537153305	/nfs/dbraw/zinc/15/33/05/537153305.db2.gz	CGAUDDJXWLRFQD-HXUWFJFHSA-N	1	0	363.465	1.849	20	30		FDEDRO
C#C[C@H](C)NC(=O)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1	ZINC000190241356	537156301	/nfs/dbraw/zinc/15/63/01/537156301.db2.gz	UZBBNQQWENJSGA-HNNXBMFYSA-N	1	0	370.453	1.578	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)[C@@H]1CO	ZINC000190368666	537169632	/nfs/dbraw/zinc/16/96/32/537169632.db2.gz	DYHQBPDIEATZJU-AYOQOUSVSA-N	1	0	374.460	1.237	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1	ZINC000248368263	537174028	/nfs/dbraw/zinc/17/40/28/537174028.db2.gz	UZUYQUQFQNEFQE-IRXDYDNUSA-N	1	0	356.470	1.889	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C)[C@H]2COc3ccccc32)CC1	ZINC000248565741	537192766	/nfs/dbraw/zinc/19/27/66/537192766.db2.gz	DWJAZTFPYLXKOD-QRQLOZEOSA-N	1	0	370.497	1.833	20	30		FDEDRO
CCC1(CC)[C@H]([NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C[C@@H]1OC	ZINC000191374891	537204453	/nfs/dbraw/zinc/20/44/53/537204453.db2.gz	NUSJIKVDMZNBRL-KSZLIROESA-N	1	0	364.534	1.862	20	30		FDEDRO
CC#CCNC(=O)C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1	ZINC000192188957	537221911	/nfs/dbraw/zinc/22/19/11/537221911.db2.gz	IBRZYUGMFSMGPM-UHFFFAOYSA-N	1	0	356.470	1.603	20	30		FDEDRO
C[C@H]1CN([C@H]2CCN(c3sccc3C#N)C2=O)CC[N@@H+]1CC(C)(C)O	ZINC000249294277	537232360	/nfs/dbraw/zinc/23/23/60/537232360.db2.gz	AVPARJULCCTDRD-ZFWWWQNUSA-N	1	0	362.499	1.502	20	30		FDEDRO
CN(C(=O)C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1)C1(C#N)CCCCC1	ZINC000193088645	537239739	/nfs/dbraw/zinc/23/97/39/537239739.db2.gz	BIECLQYBDQYWRH-KRWDZBQOSA-N	1	0	360.502	1.909	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000193373916	537246212	/nfs/dbraw/zinc/24/62/12/537246212.db2.gz	WRLUBOYOUDOSIR-UHFFFAOYSA-N	1	0	372.473	1.747	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCOc2ccccc21)N1CC[C@H](CN2CCOCC2)C1	ZINC000262775436	537254524	/nfs/dbraw/zinc/25/45/24/537254524.db2.gz	JDECMTLEDHTLBJ-QZTJIDSGSA-N	1	0	372.513	1.782	20	30		FDEDRO
CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000194152683	537259484	/nfs/dbraw/zinc/25/94/84/537259484.db2.gz	ONDGHDMUGXVOOE-KRWDZBQOSA-N	1	0	358.490	1.761	20	30		FDEDRO
CC[NH+](CC)CCN(CCOC)CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000290172048	537277247	/nfs/dbraw/zinc/27/72/47/537277247.db2.gz	DUYVDXFBAMWLTB-UHFFFAOYSA-N	1	0	368.503	1.017	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1[C@@H]1CCN(c2sccc2C#N)C1=O	ZINC000278410804	537318310	/nfs/dbraw/zinc/31/83/10/537318310.db2.gz	HKNOHZSARYQPEV-RHSMWYFYSA-N	1	0	374.510	1.910	20	30		FDEDRO
C=CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1	ZINC000282391310	537325358	/nfs/dbraw/zinc/32/53/58/537325358.db2.gz	VUYUHROEIZEYSQ-INIZCTEOSA-N	1	0	360.506	1.915	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)n1	ZINC000279576736	537349760	/nfs/dbraw/zinc/34/97/60/537349760.db2.gz	UEXCVTIFXPZRMC-RBUKOAKNSA-N	1	0	373.501	1.426	20	30		FDEDRO
C[C@H](CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C[NH+]1CCCC1	ZINC000298879288	537352777	/nfs/dbraw/zinc/35/27/77/537352777.db2.gz	ZGKXHKLQPYAAQU-OAHLLOKOSA-N	1	0	363.483	1.321	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000285928777	537370559	/nfs/dbraw/zinc/37/05/59/537370559.db2.gz	OSEGKQRNCVJOTP-CQSZACIVSA-N	1	0	362.449	1.399	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCNC(=O)C(C)(C)C	ZINC000195303620	537393521	/nfs/dbraw/zinc/39/35/21/537393521.db2.gz	OHPUOJRVPAGQFF-UHFFFAOYSA-N	1	0	373.501	1.794	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NCC(C)(C)CCOC)C(C)C	ZINC000283936639	537394504	/nfs/dbraw/zinc/39/45/04/537394504.db2.gz	HFTYROKENXPNLN-QGZVFWFLSA-N	1	0	367.534	1.980	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)nn1CCC#N	ZINC000271018331	537396643	/nfs/dbraw/zinc/39/66/43/537396643.db2.gz	FOTIEHHLPIPAIL-UHFFFAOYSA-N	1	0	372.473	1.521	20	30		FDEDRO
CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000276291388	537397699	/nfs/dbraw/zinc/39/76/99/537397699.db2.gz	URZRZFXGXHIRPU-SJORKVTESA-N	1	0	352.438	1.533	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1	ZINC000283964962	537398613	/nfs/dbraw/zinc/39/86/13/537398613.db2.gz	GJXPXORMTPHCJF-GOSISDBHSA-N	1	0	358.486	1.126	20	30		FDEDRO
C=CCN(C(=O)NCc1ncn(C)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000364966570	537402743	/nfs/dbraw/zinc/40/27/43/537402743.db2.gz	CKQGGRJBRILJFQ-QGZVFWFLSA-N	1	0	354.458	1.787	20	30		FDEDRO
CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cc(C#N)ccc1OC	ZINC000276312117	537412360	/nfs/dbraw/zinc/41/23/60/537412360.db2.gz	MBYCMHXBKVVKFD-UHFFFAOYSA-N	1	0	358.442	1.840	20	30		FDEDRO
CCCN(CCC[NH+](C)C)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000276312986	537414064	/nfs/dbraw/zinc/41/40/64/537414064.db2.gz	ZUGMMAJZQYRSBY-UHFFFAOYSA-N	1	0	365.499	1.663	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)c(OC)c1	ZINC000299096879	537442301	/nfs/dbraw/zinc/44/23/01/537442301.db2.gz	PMKOFTHALYYUCI-ROUUACIJSA-N	1	0	374.481	1.906	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000271620397	537466377	/nfs/dbraw/zinc/46/63/77/537466377.db2.gz	IGGKHPJWNZJHBE-RISCZKNCSA-N	1	0	358.446	1.047	20	30		FDEDRO
Cc1ccc([C@H]([NH2+]CCC(=O)N(C)CCC#N)[C@H](C)S(C)(=O)=O)cc1	ZINC000280910670	537480155	/nfs/dbraw/zinc/48/01/55/537480155.db2.gz	SBSOPOOJLCOGKM-MAUKXSAKSA-N	1	0	365.499	1.821	20	30		FDEDRO
CN(C(=O)c1cc(C#N)cn1C)C1CC[NH+](CC(=O)N2CCCC2)CC1	ZINC000361378376	537592873	/nfs/dbraw/zinc/59/28/73/537592873.db2.gz	NFCPZRFXEHWGRP-UHFFFAOYSA-N	1	0	357.458	1.056	20	30		FDEDRO
C=C(C)COc1cc(C[NH2+]CCNS(=O)(=O)N(C)C)ccc1OC	ZINC000291463093	537601533	/nfs/dbraw/zinc/60/15/33/537601533.db2.gz	NWUKYJUHXUKZOF-UHFFFAOYSA-N	1	0	357.476	1.136	20	30		FDEDRO
C=CCn1c(-c2cnn(C)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C	ZINC000289869895	537610406	/nfs/dbraw/zinc/61/04/06/537610406.db2.gz	YZBROAPUPJUQMA-OAHLLOKOSA-N	1	0	371.489	1.554	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](CCCO)c2ccccc2)nc1	ZINC000289875503	537613235	/nfs/dbraw/zinc/61/32/35/537613235.db2.gz	LWOMFBYJKLKOQM-QGZVFWFLSA-N	1	0	359.451	1.830	20	30		FDEDRO
N#Cc1cc(Br)ccc1CN1C(=O)N[C@@]2(CCC[NH2+]C2)C1=O	ZINC000320758784	537613405	/nfs/dbraw/zinc/61/34/05/537613405.db2.gz	BHHVFWOQRSKMOM-OAHLLOKOSA-N	1	0	363.215	1.495	20	30		FDEDRO
C[NH2+]C[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1	ZINC000237262940	537619852	/nfs/dbraw/zinc/61/98/52/537619852.db2.gz	OPSHEESCJXXRNU-RILUTCLRSA-N	1	0	352.460	1.293	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NC[C@@H]2CCO[C@H]2c2ccnn2C)cc1OC	ZINC000285123852	537620291	/nfs/dbraw/zinc/62/02/91/537620291.db2.gz	PZLBULVRVPXCIB-KBXCAEBGSA-N	1	0	373.457	1.619	20	30		FDEDRO
Cn1nccc1[C@H]1[C@H](CNC(=O)c2ccc3n[nH]c(=O)n3c2)CCC[N@@H+]1C	ZINC000329179376	537635876	/nfs/dbraw/zinc/63/58/76/537635876.db2.gz	MRLQZLWFUQKQII-BLLLJJGKSA-N	1	0	369.429	1.556	20	30		FDEDRO
Cc1noc([C@H](C)NC(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)n1	ZINC000329175985	537635999	/nfs/dbraw/zinc/63/59/99/537635999.db2.gz	BSWXTRBITRFPKZ-ZFWWWQNUSA-N	1	0	350.467	1.455	20	30		FDEDRO
O=C(CC1([NH+]2CCOCC2)CCCC1)N1CC[C@@H](NC(=O)NC2CC2)C1	ZINC000329545070	537638834	/nfs/dbraw/zinc/63/88/34/537638834.db2.gz	ZEDMPBROKYYGSD-MRXNPFEDSA-N	1	0	364.490	1.288	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1	ZINC000294015836	537642413	/nfs/dbraw/zinc/64/24/13/537642413.db2.gz	QCEQTDATXKPIGZ-UHFFFAOYSA-N	1	0	360.414	1.116	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C[C@@H]1N1CCOCC1	ZINC000330005691	537649244	/nfs/dbraw/zinc/64/92/44/537649244.db2.gz	DKKRCHHZUKLSKL-NJAFHUGGSA-N	1	0	359.470	1.599	20	30		FDEDRO
Cc1cc(N2CCC[C@H](NC(=O)N3CC[C@]4(CC[N@H+](C)C4)C3)C2)n(C)n1	ZINC000330223747	537652411	/nfs/dbraw/zinc/65/24/11/537652411.db2.gz	SKWHRIADSNFDEB-LPHOPBHVSA-N	1	0	360.506	1.639	20	30		FDEDRO
CC(C)NC(=O)NC(=O)[C@H](C)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000330425658	537656808	/nfs/dbraw/zinc/65/68/08/537656808.db2.gz	JHAFOTFTORWFOS-JYJNAYRXSA-N	1	0	368.522	1.635	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1Cc1ccc2c(c1)NC(=O)CO2	ZINC000294214485	537675551	/nfs/dbraw/zinc/67/55/51/537675551.db2.gz	LMHVUMPGSOCJCB-ZDUSSCGKSA-N	1	0	364.409	1.390	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C	ZINC000295329789	537712336	/nfs/dbraw/zinc/71/23/36/537712336.db2.gz	OWWPLUSZIRZFRF-IHRRRGAJSA-N	1	0	368.478	1.622	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[N@@H+]2CCCC[C@H]2COC(=O)N2CCOCC2)cc1	ZINC000375771048	537763067	/nfs/dbraw/zinc/76/30/67/537763067.db2.gz	VCFBUJQXLDZRFL-RBUKOAKNSA-N	1	0	373.453	1.915	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N1CCC[C@H](C[NH+]2CCN(C)CC2)C1	ZINC000371266275	537796018	/nfs/dbraw/zinc/79/60/18/537796018.db2.gz	KUZPUIIDPVDAFS-QUCCMNQESA-N	1	0	370.497	1.732	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[N@@H+](C2CCOCC2)CC1	ZINC000366710151	537828193	/nfs/dbraw/zinc/82/81/93/537828193.db2.gz	ORJHJJRKCFBEBR-AEFFLSMTSA-N	1	0	351.491	1.864	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1	ZINC000416421621	537839023	/nfs/dbraw/zinc/83/90/23/537839023.db2.gz	DVPNAPRIGCUJNA-ZDUSSCGKSA-N	1	0	355.435	1.500	20	30		FDEDRO
N#CCNC(=O)CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1	ZINC000376198541	537845617	/nfs/dbraw/zinc/84/56/17/537845617.db2.gz	OVNFAYVZXIOIIC-INIZCTEOSA-N	1	0	368.359	1.197	20	30		FDEDRO
C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCCSCc2ccccc2C#N)CC1	ZINC000418928728	537854982	/nfs/dbraw/zinc/85/49/82/537854982.db2.gz	VLWVGZPZIFMQFK-AWEZNQCLSA-N	1	0	374.510	1.493	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000409517289	537857962	/nfs/dbraw/zinc/85/79/62/537857962.db2.gz	ZHOHQROXDIJLSX-SJLPKXTDSA-N	1	0	364.515	1.967	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N(CC[NH+](C)C)Cc1cccs1	ZINC000409523818	537859007	/nfs/dbraw/zinc/85/90/07/537859007.db2.gz	ZPEPMGXMALPSFQ-AWEZNQCLSA-N	1	0	358.533	1.838	20	30		FDEDRO
N#Cc1ccccc1OC1CCC(NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC1	ZINC000419041900	537906622	/nfs/dbraw/zinc/90/66/22/537906622.db2.gz	ZZFQEMFWNIWDLZ-OOHWJJMZSA-N	1	0	370.453	1.172	20	30		FDEDRO
N#CCNC(=O)CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1	ZINC000377030681	537952612	/nfs/dbraw/zinc/95/26/12/537952612.db2.gz	MDAQAUHCZDGKJN-ZWKOTPCHSA-N	1	0	369.469	1.322	20	30		FDEDRO
N#CCNC(=O)CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1	ZINC000377031391	537952764	/nfs/dbraw/zinc/95/27/64/537952764.db2.gz	NWUUIBHGGWZNPO-UHFFFAOYSA-N	1	0	363.849	1.243	20	30		FDEDRO
C[C@@H](NC(=O)Cc1c(F)cccc1C#N)C(=O)NCC[NH+]1CCCCC1	ZINC000412323124	537968146	/nfs/dbraw/zinc/96/81/46/537968146.db2.gz	RINZCYKIPIDALJ-CQSZACIVSA-N	1	0	360.433	1.347	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@H](Cc2nnc3ccccn32)C1	ZINC000368399896	537978934	/nfs/dbraw/zinc/97/89/34/537978934.db2.gz	MQJAXJCKXMFCSM-INIZCTEOSA-N	1	0	354.458	1.746	20	30		FDEDRO
C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)C1	ZINC000415294596	537991719	/nfs/dbraw/zinc/99/17/19/537991719.db2.gz	GACRRUPRUHBTCW-HNNXBMFYSA-N	1	0	366.425	1.120	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)C(=O)NCCC[NH2+]C	ZINC000415302080	537993970	/nfs/dbraw/zinc/99/39/70/537993970.db2.gz	BZWOOSDIAJKBOT-UHFFFAOYSA-N	1	0	370.247	1.678	20	30		FDEDRO
N#Cc1cc(Oc2ccc(NC(=O)C(=O)N[C@H]3CCC[NH2+]C3)cc2)ccn1	ZINC000415316131	538002366	/nfs/dbraw/zinc/00/23/66/538002366.db2.gz	NNLIBHMNHILQFF-AWEZNQCLSA-N	1	0	365.393	1.552	20	30		FDEDRO
COc1cccc([C@@H](CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)[NH+](C)C)c1	ZINC000369219881	538006033	/nfs/dbraw/zinc/00/60/33/538006033.db2.gz	QHBQOIOSINJYNG-IEBWSBKVSA-N	1	0	371.485	1.680	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1nnc2n1CCOC2)C(C)C	ZINC000372784910	538028986	/nfs/dbraw/zinc/02/89/86/538028986.db2.gz	OOIDVTIXIJYALH-HNNXBMFYSA-N	1	0	362.478	1.306	20	30		FDEDRO
C[NH2+]CC1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1	ZINC000415430582	538044422	/nfs/dbraw/zinc/04/44/22/538044422.db2.gz	CPGIFFIXEFLNBI-UHFFFAOYSA-N	1	0	356.405	2.346	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000417570196	538051287	/nfs/dbraw/zinc/05/12/87/538051287.db2.gz	DAKXYUFAIBKZEX-KMFMINBZSA-N	1	0	359.449	1.963	20	30		FDEDRO
C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000418588619	538096170	/nfs/dbraw/zinc/09/61/70/538096170.db2.gz	IAWMHDGMTRBJOI-RDTXWAMCSA-N	1	0	369.469	1.916	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1	ZINC000419871344	538125572	/nfs/dbraw/zinc/12/55/72/538125572.db2.gz	CJFBLYIFDSQDKM-ZWKOTPCHSA-N	1	0	359.470	1.682	20	30		FDEDRO
C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)C1	ZINC000423739635	538155106	/nfs/dbraw/zinc/15/51/06/538155106.db2.gz	RJPMEONUXPBSEQ-SPUZQDLCSA-N	1	0	354.454	1.338	20	30		FDEDRO
N#Cc1cccc(OC2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]3)CC2)c1	ZINC000419936883	538156213	/nfs/dbraw/zinc/15/62/13/538156213.db2.gz	LYMUPQXNTYCTDS-MRXNPFEDSA-N	1	0	370.453	1.186	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@@](C)(OC)C2CC2)CC1	ZINC000422291166	538214889	/nfs/dbraw/zinc/21/48/89/538214889.db2.gz	CVGGGOCCZDGFEA-AUUYWEPGSA-N	1	0	351.491	1.463	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCC(C)(C)CC#N	ZINC000422347349	538232048	/nfs/dbraw/zinc/23/20/48/538232048.db2.gz	DJZBXGVRWMQDNB-NVXWUHKLSA-N	1	0	356.470	1.679	20	30		FDEDRO
CCC[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C(=O)N1CCc2sccc2C1	ZINC000424112358	538236159	/nfs/dbraw/zinc/23/61/59/538236159.db2.gz	JJAYTQFIMCCHHK-LSDHHAIUSA-N	1	0	362.499	1.939	20	30		FDEDRO
Cc1ccc(CNC(=O)C2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)cc1	ZINC000424112677	538236669	/nfs/dbraw/zinc/23/66/69/538236669.db2.gz	KYJKKGSNDUNCRE-GOSISDBHSA-N	1	0	356.470	1.871	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)Nc1cccc(C(=O)NCc2ccccn2)c1	ZINC000424136029	538244333	/nfs/dbraw/zinc/24/43/33/538244333.db2.gz	QBBUBOXLAFZMQA-QGZVFWFLSA-N	1	0	351.410	1.971	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NCc1ccc(C(=O)Nc2cccnc2)cc1	ZINC000424148093	538245577	/nfs/dbraw/zinc/24/55/77/538245577.db2.gz	TVFILGNOEAPMME-QGZVFWFLSA-N	1	0	351.410	1.971	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@](O)(C(F)F)C2)c(OC)c1	ZINC000451442467	538257975	/nfs/dbraw/zinc/25/79/75/538257975.db2.gz	WDLQTWZDFRYTJI-KSSFIOAISA-N	1	0	357.397	1.865	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)NCCc1ccc(OC(F)F)c(OC)c1	ZINC000451596100	538283692	/nfs/dbraw/zinc/28/36/92/538283692.db2.gz	FZZSUMHVYSNTHM-KGLIPLIRSA-N	1	0	370.396	1.888	20	30		FDEDRO
C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)C1	ZINC000420416662	538290346	/nfs/dbraw/zinc/29/03/46/538290346.db2.gz	GPOSNGBTSJOSQC-ZJUUUORDSA-N	1	0	358.261	1.679	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N[C@H]1CCC[C@@H]([NH3+])C1	ZINC000420425211	538291794	/nfs/dbraw/zinc/29/17/94/538291794.db2.gz	OUTIFXJXPCAEEH-ZJUUUORDSA-N	1	0	358.261	1.869	20	30		FDEDRO
C[C@H]1[NH2+]CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)[C@@H]1C	ZINC000420427848	538293081	/nfs/dbraw/zinc/29/30/81/538293081.db2.gz	KTIHCYRSWOZSJL-NXEZZACHSA-N	1	0	358.261	1.692	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NCC(=O)Nc1cc(C)ccc1OC	ZINC000451673431	538297299	/nfs/dbraw/zinc/29/72/99/538297299.db2.gz	KRJUQAHDGDMYFC-ZBFHGGJFSA-N	1	0	361.442	1.382	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(CC(=O)N(CCC#N)CCC#N)CC2)CC1	ZINC000441047402	538302447	/nfs/dbraw/zinc/30/24/47/538302447.db2.gz	GISSYWGYOKUADL-UHFFFAOYSA-N	1	0	374.533	1.133	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1	ZINC000424506414	538315026	/nfs/dbraw/zinc/31/50/26/538315026.db2.gz	GLOMJDCETQWRTL-SJORKVTESA-N	1	0	365.518	1.711	20	30		FDEDRO
CCN(CCC#N)C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1	ZINC000446878000	538326446	/nfs/dbraw/zinc/32/64/46/538326446.db2.gz	RDJXXDDBJDZUEE-UHFFFAOYSA-N	1	0	359.430	1.277	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1	ZINC000447259549	538363459	/nfs/dbraw/zinc/36/34/59/538363459.db2.gz	YHKWHWXTGLMEMV-CYZMBNFOSA-N	1	0	350.400	1.214	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCc3c2cccc3C#N)C1	ZINC000420974857	538372925	/nfs/dbraw/zinc/37/29/25/538372925.db2.gz	PIJXFHOBENBPRT-KRWDZBQOSA-N	1	0	356.470	1.394	20	30		FDEDRO
C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1	ZINC000423525373	538399104	/nfs/dbraw/zinc/39/91/04/538399104.db2.gz	KLJKCBRLJXNIGC-IPELMVKDSA-N	1	0	368.481	1.871	20	30		FDEDRO
CN(C(=O)C[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1)C1(C#N)CCCCC1	ZINC000426113811	538419299	/nfs/dbraw/zinc/41/92/99/538419299.db2.gz	NZUYMCBUSXZORK-CYBMUJFWSA-N	1	0	374.407	1.672	20	30		FDEDRO
N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1	ZINC000426124415	538420855	/nfs/dbraw/zinc/42/08/55/538420855.db2.gz	CWNRCCFMTFSPDS-LLVKDONJSA-N	1	0	374.388	1.949	20	30		FDEDRO
C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1CCCC[C@H]1O	ZINC000426250826	538422510	/nfs/dbraw/zinc/42/25/10/538422510.db2.gz	VMAYIWNSXADUBM-IAGOWNOFSA-N	1	0	353.426	1.918	20	30		FDEDRO
CC1(C)CCC[N@@H+]1CCNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000457067164	538472041	/nfs/dbraw/zinc/47/20/41/538472041.db2.gz	BONLGLJFMZUTJV-UHFFFAOYSA-N	1	0	352.442	1.930	20	30		FDEDRO
C[NH+](C)CC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1	ZINC000501190415	538638612	/nfs/dbraw/zinc/63/86/12/538638612.db2.gz	CDMWFCHKBMKWRE-UHFFFAOYSA-N	1	0	352.416	1.429	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C	ZINC000495217019	538647556	/nfs/dbraw/zinc/64/75/56/538647556.db2.gz	GUGVXHZYXQWFRD-ZIAGYGMSSA-N	1	0	358.442	1.884	20	30		FDEDRO
C[C@@H](C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1)n1cnc(C#N)n1	ZINC000456344764	538696696	/nfs/dbraw/zinc/69/66/96/538696696.db2.gz	RWMMXNJIEBMVFC-CVEARBPZSA-N	1	0	352.442	1.691	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[N@H+](C)CC[C@H]2C)cc1	ZINC000483448163	538703637	/nfs/dbraw/zinc/70/36/37/538703637.db2.gz	PLDGRQYZEJGPLR-ZIAGYGMSSA-N	1	0	364.471	1.930	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)[C@H](C)[NH+]3[C@H](C)CC[C@H]3C)CC2)c1C#N	ZINC000473001203	538731663	/nfs/dbraw/zinc/73/16/63/538731663.db2.gz	NMIXEALNCYKVLB-FMKPAKJESA-N	1	0	358.490	1.510	20	30		FDEDRO
C[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)N1CC[NH+](C)CC1	ZINC000506475160	538874196	/nfs/dbraw/zinc/87/41/96/538874196.db2.gz	STHXIHHGNLFFTL-KBXCAEBGSA-N	1	0	352.479	1.000	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CCc2ccccc2OC)CC1	ZINC000561414754	545838457	/nfs/dbraw/zinc/83/84/57/545838457.db2.gz	NJGHXRGQFBRFKG-UHFFFAOYSA-N	1	0	373.497	1.853	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCO[C@@H]2c2ccccc2)CC1	ZINC000561414426	545838840	/nfs/dbraw/zinc/83/88/40/545838840.db2.gz	AQZMFCHMJMQWGO-ZWKOTPCHSA-N	1	0	357.454	1.399	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CCOc2ccccc2C)CC1	ZINC000561415442	545839570	/nfs/dbraw/zinc/83/95/70/545839570.db2.gz	WQLCPFDBPKEWIB-UHFFFAOYSA-N	1	0	373.497	1.989	20	30		FDEDRO
CN1CC[NH2+]C[C@@H]1CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	ZINC000562746894	546252602	/nfs/dbraw/zinc/25/26/02/546252602.db2.gz	UVGPDLZOPCANNJ-OAHLLOKOSA-N	1	0	370.482	1.631	20	30		FDEDRO
CC(C)OCCN1CCC([NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000562992778	546345299	/nfs/dbraw/zinc/34/52/99/546345299.db2.gz	XWZHQTTZZMZMKG-IBGZPJMESA-N	1	0	361.486	1.777	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)Cc2ccc(CC#N)cc2)CCN1CC(C)(C)O	ZINC000563064292	546380728	/nfs/dbraw/zinc/38/07/28/546380728.db2.gz	ZZCQSWYDYVDBFP-OAHLLOKOSA-N	1	0	365.499	1.359	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+](CCC(=O)OC(C)(C)C)C2CCOCC2)C1=O	ZINC000563067143	546383073	/nfs/dbraw/zinc/38/30/73/546383073.db2.gz	GHLROSXXVWLZBT-INIZCTEOSA-N	1	0	352.475	1.986	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1	ZINC000563496697	546557963	/nfs/dbraw/zinc/55/79/63/546557963.db2.gz	UDXVMELKDPNPPG-HXUWFJFHSA-N	1	0	370.453	1.910	20	30		FDEDRO
C=CCOc1ccc(C[NH2+]CC2(O)CCS(=O)(=O)CC2)cc1Cl	ZINC000563674921	546641648	/nfs/dbraw/zinc/64/16/48/546641648.db2.gz	AKXRVUSPRCABGP-UHFFFAOYSA-N	1	0	359.875	1.934	20	30		FDEDRO
Cc1cc(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)ncc1C#N	ZINC000563868091	546714813	/nfs/dbraw/zinc/71/48/13/546714813.db2.gz	IQGDPGSQVVPDKX-UHFFFAOYSA-N	1	0	355.486	1.942	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1	ZINC000563953860	546750782	/nfs/dbraw/zinc/75/07/82/546750782.db2.gz	YJUGSVIAWCQWGT-CRAIPNDOSA-N	1	0	354.454	1.774	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCC3=CC[NH2+]CC3)C2=O)cc1	ZINC000564064657	546794131	/nfs/dbraw/zinc/79/41/31/546794131.db2.gz	ZZBWMFWLIUOBRH-GOSISDBHSA-N	1	0	367.453	1.268	20	30		FDEDRO
C[N@H+](CCOCc1ccc(C#N)cc1)CCn1cc([N+](=O)[O-])ccc1=O	ZINC000564157517	546825758	/nfs/dbraw/zinc/82/57/58/546825758.db2.gz	RBIDCIBBYKHQFD-UHFFFAOYSA-N	1	0	356.382	1.777	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2ncc(CC)s2)CC1	ZINC000564480433	546927759	/nfs/dbraw/zinc/92/77/59/546927759.db2.gz	DSXCVCHZYWBFBD-UHFFFAOYSA-N	1	0	350.488	1.131	20	30		FDEDRO
Cn1nccc1[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CCO1	ZINC000564563208	546954035	/nfs/dbraw/zinc/95/40/35/546954035.db2.gz	KRHHUTGGMHIKQD-MAUKXSAKSA-N	1	0	374.466	1.575	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]CCCNC(=O)c2cccc(F)c2)cc1	ZINC000564854776	547069654	/nfs/dbraw/zinc/06/96/54/547069654.db2.gz	AXRRCKZMWORFHC-GOSISDBHSA-N	1	0	371.412	1.847	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(CC#N)cc2)[C@H](C)C1	ZINC000564955654	547126637	/nfs/dbraw/zinc/12/66/37/547126637.db2.gz	UPRTYIYWCZAHOO-QAPCUYQASA-N	1	0	356.470	1.558	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c(OC)c1	ZINC000566110552	547607561	/nfs/dbraw/zinc/60/75/61/547607561.db2.gz	MAQVGGXGWSYAAX-DZOHQFGASA-N	1	0	374.481	1.762	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2nc(-c3ccccn3)cs2)CC1	ZINC000566334475	547717898	/nfs/dbraw/zinc/71/78/98/547717898.db2.gz	BKXALJKPIUXREV-UHFFFAOYSA-N	1	0	371.466	1.910	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1ccc(CC[NH+](C)C)cc1	ZINC000566446489	547761546	/nfs/dbraw/zinc/76/15/46/547761546.db2.gz	JNWQQDGLANOEKT-UHFFFAOYSA-N	1	0	354.458	1.672	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1	ZINC000567378016	548098096	/nfs/dbraw/zinc/09/80/96/548098096.db2.gz	MKPDRCQIJROXGS-ZTFGCOKTSA-N	1	0	352.429	1.506	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CCNCC(=O)N2CCc3ccccc32)c1	ZINC000567492615	548138885	/nfs/dbraw/zinc/13/88/85/548138885.db2.gz	IHQKAVFZGRAWHD-UHFFFAOYSA-N	1	0	369.446	1.511	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2ccc(S(=O)(=O)N(C)C)cn2)CC1	ZINC000567548972	548156476	/nfs/dbraw/zinc/15/64/76/548156476.db2.gz	FXZZVNMYPAHHJM-UHFFFAOYSA-N	1	0	367.475	1.104	20	30		FDEDRO
C[C@@H]1OCC[C@@]1(O)C[N@H+](CCC(=O)N(C)CCC#N)Cc1ccccc1	ZINC000567609032	548180188	/nfs/dbraw/zinc/18/01/88/548180188.db2.gz	AKWXOUCSIWGQOC-FXAWDEMLSA-N	1	0	359.470	1.791	20	30		FDEDRO
Cc1cccc2c1OC[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C2	ZINC000567707975	548222351	/nfs/dbraw/zinc/22/23/51/548222351.db2.gz	GOILCHIVMYBYNH-MRXNPFEDSA-N	1	0	357.435	1.629	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H]([NH2+]C[C@H](O)COc3ccccc3)C2=O)cc1	ZINC000567726826	548231624	/nfs/dbraw/zinc/23/16/24/548231624.db2.gz	ZNNCDCVMPFZVQE-ICSRJNTNSA-N	1	0	365.433	1.689	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1	ZINC000567739183	548237824	/nfs/dbraw/zinc/23/78/24/548237824.db2.gz	DYUBQNSGSRQHSX-INIZCTEOSA-N	1	0	357.414	1.205	20	30		FDEDRO
CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1	ZINC000568395008	548520166	/nfs/dbraw/zinc/52/01/66/548520166.db2.gz	KODKGZZWAXPVGB-GOSISDBHSA-N	1	0	357.414	1.393	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)NC1CCC(N2CC[NH2+]CC2)CC1	ZINC000568488076	548556930	/nfs/dbraw/zinc/55/69/30/548556930.db2.gz	VKBKDMORTMFEAE-UHFFFAOYSA-N	1	0	357.458	1.905	20	30		FDEDRO
COC[C@@]1(CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CCC[NH2+]1	ZINC000568490971	548558072	/nfs/dbraw/zinc/55/80/72/548558072.db2.gz	PVFFEUPYRIYLPD-FQEVSTJZSA-N	1	0	371.485	1.154	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O	ZINC000568502139	548563305	/nfs/dbraw/zinc/56/33/05/548563305.db2.gz	MRJMGXRECFBGCY-HZPDHXFCSA-N	1	0	350.850	1.241	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C	ZINC000568567931	548589168	/nfs/dbraw/zinc/58/91/68/548589168.db2.gz	XAKPBQFWUBAWPV-PMPSAXMXSA-N	1	0	351.491	1.320	20	30		FDEDRO
CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(C#N)cc1OC	ZINC000569159193	548818023	/nfs/dbraw/zinc/81/80/23/548818023.db2.gz	PHMRJWYMCFKHOH-UHFFFAOYSA-N	1	0	358.442	1.840	20	30		FDEDRO
N#Cc1cccc(OCCCN2C(=O)N[C@@]3(CCCC[C@@H]3C[NH3+])C2=O)c1	ZINC000569452296	548922573	/nfs/dbraw/zinc/92/25/73/548922573.db2.gz	IVNDBHVISFKXKZ-DNVCBOLYSA-N	1	0	356.426	1.767	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])cc1	ZINC000569575576	548966961	/nfs/dbraw/zinc/96/69/61/548966961.db2.gz	OQZIMHHCHYJTSO-LSDHHAIUSA-N	1	0	372.469	1.681	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)ncc1C#N	ZINC000570653323	549360420	/nfs/dbraw/zinc/36/04/20/549360420.db2.gz	VEEOUIOYNKDONZ-MRXNPFEDSA-N	1	0	355.442	1.677	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+](C)[C@H]2CCC(=O)N(C)C2)c(OC)c1	ZINC000570823754	549425709	/nfs/dbraw/zinc/42/57/09/549425709.db2.gz	MSDYDLBXVYFERT-DLBZAZTESA-N	1	0	362.470	1.716	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCCN1S(C)(=O)=O	ZINC000570836975	549430870	/nfs/dbraw/zinc/43/08/70/549430870.db2.gz	NCCBLNPCLHMISG-IAGOWNOFSA-N	1	0	368.499	1.168	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCc2nnnn2CC1	ZINC000570850178	549435452	/nfs/dbraw/zinc/43/54/52/549435452.db2.gz	QMTXLBOUPJGELK-KRWDZBQOSA-N	1	0	367.457	1.088	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@H](N4CCOCC4)C3)C2=O)cc1	ZINC000571057116	549510038	/nfs/dbraw/zinc/51/00/38/549510038.db2.gz	JPNSQHNIRKRDNQ-VQTJNVASSA-N	1	0	368.481	1.850	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@@H](N4CCOCC4)C3)C2=O)cc1	ZINC000571057117	549510477	/nfs/dbraw/zinc/51/04/77/549510477.db2.gz	JPNSQHNIRKRDNQ-WOJBJXKFSA-N	1	0	368.481	1.850	20	30		FDEDRO
C[N@H+](CCOc1cccc(CNc2cc(C#N)ncn2)c1)C1CCOCC1	ZINC000571239327	549576246	/nfs/dbraw/zinc/57/62/46/549576246.db2.gz	HGFAOECUSDEOKC-UHFFFAOYSA-N	1	0	367.453	2.450	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]21	ZINC000571971910	549813908	/nfs/dbraw/zinc/81/39/08/549813908.db2.gz	INAAZFMBLLYXBO-RISCZKNCSA-N	1	0	359.373	1.902	20	30		FDEDRO
COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)s1	ZINC000572326424	549890189	/nfs/dbraw/zinc/89/01/89/549890189.db2.gz	RIFAJGLXJRCJRQ-UHFFFAOYSA-N	1	0	357.501	1.741	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc2C1=O	ZINC000572958875	550032053	/nfs/dbraw/zinc/03/20/53/550032053.db2.gz	PTBJBLSTRPCRGH-JKSUJKDBSA-N	1	0	367.449	1.930	20	30		FDEDRO
C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000573230399	550092949	/nfs/dbraw/zinc/09/29/49/550092949.db2.gz	JQIWWWARKFBZJS-KDOFPFPSSA-N	1	0	365.499	1.894	20	30		FDEDRO
O=C(NCC#Cc1cccc(F)c1)NC1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000573700548	550196502	/nfs/dbraw/zinc/19/65/02/550196502.db2.gz	SNAQLLWCDYJCLA-KRWDZBQOSA-N	1	0	359.445	1.977	20	30		FDEDRO
CC[NH+](CC)CCS(=O)(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1	ZINC000573765702	550206975	/nfs/dbraw/zinc/20/69/75/550206975.db2.gz	KKSARNBGUSKUCE-UHFFFAOYSA-N	1	0	361.471	1.710	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3CCC[C@@]4(CC[NH2+]C4)C3)n2)c(F)c1	ZINC000574055633	550253139	/nfs/dbraw/zinc/25/31/39/550253139.db2.gz	TYYOMZGXXKGRIR-IBGZPJMESA-N	1	0	368.416	2.490	20	30		FDEDRO
C=CCc1cc(C[NH2+]CC2(O)CCS(=O)(=O)CC2)cc(OC)c1O	ZINC000574061573	550253998	/nfs/dbraw/zinc/25/39/98/550253998.db2.gz	UMDAEKIGGRWMFA-UHFFFAOYSA-N	1	0	355.456	1.159	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)NCc1ccc(CC#N)cc1)c1ccccc1	ZINC000574201632	550274720	/nfs/dbraw/zinc/27/47/20/550274720.db2.gz	YAUVTKDKXPFWLW-LJQANCHMSA-N	1	0	364.449	1.788	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1C#N	ZINC000574465087	550318533	/nfs/dbraw/zinc/31/85/33/550318533.db2.gz	AJXFTRBANRKPRZ-IRXDYDNUSA-N	1	0	364.471	1.169	20	30		FDEDRO
C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000574691964	550355409	/nfs/dbraw/zinc/35/54/09/550355409.db2.gz	YPYVPDLIUBTEHG-ZJUUUORDSA-N	1	0	372.347	1.680	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNC(=O)C(=O)Nc2cc(C)c(C#N)cn2)CC1	ZINC000574768761	550367629	/nfs/dbraw/zinc/36/76/29/550367629.db2.gz	NADGCQWUPQNDRS-UHFFFAOYSA-N	1	0	373.457	1.206	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1	ZINC000574988884	550405283	/nfs/dbraw/zinc/40/52/83/550405283.db2.gz	SYIPBHPRUUUWOA-CHWSQXEVSA-N	1	0	364.427	1.477	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)NC[C@H]2C[NH2+]CCCO2)ccc1C(F)(F)F	ZINC000576376204	550542410	/nfs/dbraw/zinc/54/24/10/550542410.db2.gz	HOETWBKJYULSTL-LLVKDONJSA-N	1	0	363.361	1.234	20	30		FDEDRO
C=C(C)CN1CCC([NH2+]C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1	ZINC000576628446	550569679	/nfs/dbraw/zinc/56/96/79/550569679.db2.gz	YTYVBNBGAJTIKT-SFHVURJKSA-N	1	0	372.469	1.494	20	30		FDEDRO
CC[C@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)c1ccco1	ZINC000576772742	550584668	/nfs/dbraw/zinc/58/46/68/550584668.db2.gz	SPIBQOKVPACMKX-JSGCOSHPSA-N	1	0	355.398	1.730	20	30		FDEDRO
Cc1ccc(C(=O)N2CCC([NH2+]C[C@H](O)CN(C)CCC#N)CC2)cc1	ZINC000576816000	550588811	/nfs/dbraw/zinc/58/88/11/550588811.db2.gz	FZPUJVRIUHNPBU-IBGZPJMESA-N	1	0	358.486	1.396	20	30		FDEDRO
COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1	ZINC000577497073	550663052	/nfs/dbraw/zinc/66/30/52/550663052.db2.gz	RTKTUTNIBLNABC-BBRMVZONSA-N	1	0	360.414	1.830	20	30		FDEDRO
C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@H]2C1	ZINC000577601765	550673911	/nfs/dbraw/zinc/67/39/11/550673911.db2.gz	QGNXVLMNWLEJAC-GOSISDBHSA-N	1	0	364.453	1.914	20	30		FDEDRO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](O)CN(C)CCC#N	ZINC000577602692	550673940	/nfs/dbraw/zinc/67/39/40/550673940.db2.gz	JZYYXBBOJFJLAA-IZZBFERCSA-N	1	0	358.530	1.939	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@@H](C[NH3+])C3CCCC3)CC2)c1C#N	ZINC000577712940	550686040	/nfs/dbraw/zinc/68/60/40/550686040.db2.gz	XQRNSIFOSFSFDG-HNNXBMFYSA-N	1	0	362.503	1.672	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(CCC)C[C@H]2CCCCO2)CC1	ZINC000578215325	550740248	/nfs/dbraw/zinc/74/02/48/550740248.db2.gz	WQVHOEVEQNBDHK-QGZVFWFLSA-N	1	0	351.491	1.561	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ncc1C#N	ZINC000578246620	550744568	/nfs/dbraw/zinc/74/45/68/550744568.db2.gz	WRLOBELMGCYXTM-CABCVRRESA-N	1	0	369.469	1.969	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC(c3ccc(C)nc3)CC2)CC1	ZINC000578516949	550772242	/nfs/dbraw/zinc/77/22/42/550772242.db2.gz	IRZXXOXBUYUHQJ-UHFFFAOYSA-N	1	0	370.497	1.863	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)C[C@@H]21	ZINC000579199557	550846035	/nfs/dbraw/zinc/84/60/35/550846035.db2.gz	YKKLILQAGVYFTB-WBMJQRKESA-N	1	0	354.389	2.051	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1	ZINC000579425312	550871657	/nfs/dbraw/zinc/87/16/57/550871657.db2.gz	IFYZDRSZSUFFFR-OAHLLOKOSA-N	1	0	354.458	1.269	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]CCc2nnc3n2CCCCC3)cc1	ZINC000579823852	550913838	/nfs/dbraw/zinc/91/38/38/550913838.db2.gz	JIGJXIDNRMNMGG-KRWDZBQOSA-N	1	0	369.469	1.643	20	30		FDEDRO
COc1cccc(N2C[C@@H]([NH2+]Cc3cnc4c(C#N)cnn4c3)CC2=O)c1	ZINC000580289615	550962723	/nfs/dbraw/zinc/96/27/23/550962723.db2.gz	UAHYEQWSPGKCNB-HNNXBMFYSA-N	1	0	362.393	1.505	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCNS(=O)(=O)Cc1ccc(CC#N)cc1	ZINC000580308013	550965025	/nfs/dbraw/zinc/96/50/25/550965025.db2.gz	ODDPZWSIJFBRHD-UHFFFAOYSA-N	1	0	352.504	1.056	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1	ZINC000580401270	550977746	/nfs/dbraw/zinc/97/77/46/550977746.db2.gz	PEJWIWJDWXYQSP-JQHSSLGASA-N	1	0	357.454	1.914	20	30		FDEDRO
C[C@H]1CCCN(C(C)(C)C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000580423226	550980768	/nfs/dbraw/zinc/98/07/68/550980768.db2.gz	KCDDGPACJXRQBF-HNNXBMFYSA-N	1	0	364.515	1.827	20	30		FDEDRO
Cc1cccc(OC[C@H](O)C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)c1	ZINC000580431557	550981703	/nfs/dbraw/zinc/98/17/03/550981703.db2.gz	QTIGZXVKIYBAHV-ZWKOTPCHSA-N	1	0	356.422	1.636	20	30		FDEDRO
Cc1cccc(OC[C@@H](O)C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c1	ZINC000580431554	550981735	/nfs/dbraw/zinc/98/17/35/550981735.db2.gz	QTIGZXVKIYBAHV-MSOLQXFVSA-N	1	0	356.422	1.636	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C	ZINC000581718229	551126876	/nfs/dbraw/zinc/12/68/76/551126876.db2.gz	BJEPBAJINBDGBF-XJKSGUPXSA-N	1	0	356.426	1.591	20	30		FDEDRO
C[C@@H](NC(=O)c1c(F)cc(C#N)cc1F)C(=O)NCC[NH+]1CCCCC1	ZINC000581932301	551151437	/nfs/dbraw/zinc/15/14/37/551151437.db2.gz	YGOVYVZWKHXPCK-GFCCVEGCSA-N	1	0	364.396	1.557	20	30		FDEDRO
Cn1nccc1N1CCC[C@H]([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000582176921	551186610	/nfs/dbraw/zinc/18/66/10/551186610.db2.gz	RURLSQDNSNBGDM-ZWKOTPCHSA-N	1	0	369.469	1.484	20	30		FDEDRO
CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2ccc(C#N)cn2)CC1	ZINC000583151879	551311155	/nfs/dbraw/zinc/31/11/55/551311155.db2.gz	LEWMASXQTTXFQN-CQSZACIVSA-N	1	0	350.488	1.835	20	30		FDEDRO
COc1ccc(C(=O)NCC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)cc1	ZINC000583198845	551317530	/nfs/dbraw/zinc/31/75/30/551317530.db2.gz	LQTIBMWIXVPJGN-QGZVFWFLSA-N	1	0	369.421	1.326	20	30		FDEDRO
COC(=O)[C@H](CC[N@H+](C)CCCc1[nH]nc(N)c1C#N)c1ccccc1	ZINC000583260138	551326431	/nfs/dbraw/zinc/32/64/31/551326431.db2.gz	YHGBZEXNXQFTAB-OAHLLOKOSA-N	1	0	355.442	2.075	20	30		FDEDRO
COc1cc([C@H](C)[NH2+]Cc2cnc3c(C#N)cnn3c2)ccc1OCCO	ZINC000583604957	551375226	/nfs/dbraw/zinc/37/52/26/551375226.db2.gz	XDQHKRQOBPZZGS-ZDUSSCGKSA-N	1	0	367.409	1.831	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)ncc1C#N	ZINC000583942988	551424770	/nfs/dbraw/zinc/42/47/70/551424770.db2.gz	UJRGEMGYLAZHAX-UHFFFAOYSA-N	1	0	357.458	1.971	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2COc3ccc(F)cc3C2)nc1	ZINC000584227939	551466874	/nfs/dbraw/zinc/46/68/74/551466874.db2.gz	SPSSQYIHJNEFKP-OAHLLOKOSA-N	1	0	361.398	1.459	20	30		FDEDRO
N#Cc1ccc(CN2CCCN(C(=O)[C@H]3CCc4nncn4C3)CC2)cc1	ZINC000584447091	551498145	/nfs/dbraw/zinc/49/81/45/551498145.db2.gz	SVRVDTFAHHYILR-SFHVURJKSA-N	1	0	364.453	1.447	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc3c(c2)C(=O)NCC3)cc1	ZINC000584465738	551501346	/nfs/dbraw/zinc/50/13/46/551501346.db2.gz	ZUVDRVHWGFYAQE-SFHVURJKSA-N	1	0	365.433	1.568	20	30		FDEDRO
C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)[C@H](O)Cc1ccccc1	ZINC000584470461	551502477	/nfs/dbraw/zinc/50/24/77/551502477.db2.gz	ZSIYLFIBDOJAFD-HNAYVOBHSA-N	1	0	358.463	1.914	20	30		FDEDRO
CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(C#N)cc1OC	ZINC000584754457	551542159	/nfs/dbraw/zinc/54/21/59/551542159.db2.gz	KWFCAFTWXLOCGR-HNNXBMFYSA-N	1	0	358.442	1.886	20	30		FDEDRO
CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)CC1	ZINC000585700943	551583768	/nfs/dbraw/zinc/58/37/68/551583768.db2.gz	DBQITJNDKOQONT-HNNXBMFYSA-N	1	0	356.470	1.972	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCCC[C@H]2CCO)CC1	ZINC000585754625	551593111	/nfs/dbraw/zinc/59/31/11/551593111.db2.gz	SZEVSSBPTXAILQ-ROUUACIJSA-N	1	0	350.507	1.306	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)c(F)c1	ZINC000586862781	551627447	/nfs/dbraw/zinc/62/74/47/551627447.db2.gz	BNEKFPDCHUYBNO-UHFFFAOYSA-N	1	0	372.444	1.790	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(C#N)c1	ZINC000587700362	551634111	/nfs/dbraw/zinc/63/41/11/551634111.db2.gz	CSVVGESTMVASEF-HOTGVXAUSA-N	1	0	372.469	1.353	20	30		FDEDRO
CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2ccnc(C#N)c2)CC1	ZINC000588973888	551702504	/nfs/dbraw/zinc/70/25/04/551702504.db2.gz	JYDGEKQLJPAQMD-CQSZACIVSA-N	1	0	350.488	1.835	20	30		FDEDRO
CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@@H](O)COc3ccc(C#N)cc3)[C@H]2C1	ZINC000588979360	551702891	/nfs/dbraw/zinc/70/28/91/551702891.db2.gz	QBKQHUOEOTYQDX-HNJRGHQBSA-N	1	0	357.454	1.535	20	30		FDEDRO
CC[NH+](CC)CCS(=O)(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000589277733	551722444	/nfs/dbraw/zinc/72/24/44/551722444.db2.gz	ZGXDZXILUCEFEO-UHFFFAOYSA-N	1	0	365.503	1.183	20	30		FDEDRO
C=C[C@H](C(=O)OC)N1CCC[C@@]2(CCCN([C@@H](C=C)C(=O)OC)C2)C1	ZINC000589282536	551722740	/nfs/dbraw/zinc/72/27/40/551722740.db2.gz	WWTJTUBAFHLRFZ-JTDSTZFVSA-N	1	0	350.459	1.620	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1	ZINC000589527523	551735010	/nfs/dbraw/zinc/73/50/10/551735010.db2.gz	LXDBUHVYRKIPFG-FQEVSTJZSA-N	1	0	371.529	1.869	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)NCc3ccc(C#N)c(OC)c3)C2)CC1	ZINC000589709787	551743992	/nfs/dbraw/zinc/74/39/92/551743992.db2.gz	YSPPQHQEJHGOSQ-SFHVURJKSA-N	1	0	371.485	1.488	20	30		FDEDRO
N#Cc1ncn(CC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n1	ZINC000589980826	551754722	/nfs/dbraw/zinc/75/47/22/551754722.db2.gz	TVXWWRVEMOQNOI-SJORKVTESA-N	1	0	350.426	1.130	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)[C@@H]2C1	ZINC000590046909	551757587	/nfs/dbraw/zinc/75/75/87/551757587.db2.gz	MQSZYOHZIMSVMZ-FUHWJXTLSA-N	1	0	354.454	1.876	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2cscc2C#N)c1	ZINC000590094011	551760026	/nfs/dbraw/zinc/76/00/26/551760026.db2.gz	XOYYLONGPVSMSO-UHFFFAOYSA-N	1	0	356.451	1.841	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(C(=O)c2cscc2C#N)CC1	ZINC000590098424	551760052	/nfs/dbraw/zinc/76/00/52/551760052.db2.gz	VHXMQVLWPWMZON-UHFFFAOYSA-N	1	0	351.472	1.819	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3cc(C#N)ccc3OC(F)F)[C@@H]2C1	ZINC000590279274	551769449	/nfs/dbraw/zinc/76/94/49/551769449.db2.gz	AYLCVEPGGUAXNR-WCQYABFASA-N	1	0	364.352	1.261	20	30		FDEDRO
CC(C)(CO)[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1cccnc1	ZINC000590600279	551797026	/nfs/dbraw/zinc/79/70/26/551797026.db2.gz	IRRRATRNZUADNK-LJQANCHMSA-N	1	0	352.438	1.919	20	30		FDEDRO
CN(C)C(=O)C1([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CCCCC1	ZINC000590755240	551812688	/nfs/dbraw/zinc/81/26/88/551812688.db2.gz	NWPXSBOKHIKKGW-KRWDZBQOSA-N	1	0	359.470	1.873	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]2C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)cc1	ZINC000590767956	551814823	/nfs/dbraw/zinc/81/48/23/551814823.db2.gz	UAINJHGCBLLLLG-HKUYNNGSSA-N	1	0	356.470	1.490	20	30		FDEDRO
COCCN(CC#N)C(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C	ZINC000590892177	551825658	/nfs/dbraw/zinc/82/56/58/551825658.db2.gz	DCGJNMRBJJJWOT-UHFFFAOYSA-N	1	0	368.441	1.176	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC[NH2+]1	ZINC000591295714	551857662	/nfs/dbraw/zinc/85/76/62/551857662.db2.gz	FVVFULKQZFVHMG-CYBMUJFWSA-N	1	0	365.393	1.504	20	30		FDEDRO
CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	ZINC000591297468	551857832	/nfs/dbraw/zinc/85/78/32/551857832.db2.gz	GTCUXDVRMJQORE-INIZCTEOSA-N	1	0	367.409	1.784	20	30		FDEDRO
N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCC3([NH3+])CCC3)cn2)cc1	ZINC000591301279	551858322	/nfs/dbraw/zinc/85/83/22/551858322.db2.gz	ZMMAHCRAWODQPR-UHFFFAOYSA-N	1	0	365.393	1.682	20	30		FDEDRO
CC(C)[C@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC[NH2+]1	ZINC000591303324	551858844	/nfs/dbraw/zinc/85/88/44/551858844.db2.gz	UCTUROHASBFDAL-CYBMUJFWSA-N	1	0	366.368	1.555	20	30		FDEDRO
CC[C@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)CC[C@H]1[NH3+]	ZINC000591304226	551859390	/nfs/dbraw/zinc/85/93/90/551859390.db2.gz	UKJRFKIWQRRXGJ-LSDHHAIUSA-N	1	0	374.441	1.108	20	30		FDEDRO
CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	ZINC000591305256	551859622	/nfs/dbraw/zinc/85/96/22/551859622.db2.gz	WEXVTFCUCOWADO-CYBMUJFWSA-N	1	0	367.409	1.798	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1	ZINC000591307173	551859836	/nfs/dbraw/zinc/85/98/36/551859836.db2.gz	WKRSQFOPHCZXOC-LJQANCHMSA-N	1	0	357.458	1.655	20	30		FDEDRO
C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	ZINC000591307749	551860109	/nfs/dbraw/zinc/86/01/09/551860109.db2.gz	SXUVCOYBHBUVSD-LRDDRELGSA-N	1	0	365.393	1.632	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)Nc3cccc4c3CC[NH2+]C4)CC2)c1	ZINC000591310369	551860545	/nfs/dbraw/zinc/86/05/45/551860545.db2.gz	CAVNPGGCLSGTFU-UHFFFAOYSA-N	1	0	362.437	1.953	20	30		FDEDRO
N#CCN1CCC(NC(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)CC1	ZINC000591351324	551864909	/nfs/dbraw/zinc/86/49/09/551864909.db2.gz	QHDDCDSOYHITGW-ZWKOTPCHSA-N	1	0	359.449	1.640	20	30		FDEDRO
N#Cc1c(N)n(-c2ccc(F)cc2)nc1CCCNC(=O)NC/C=C/C[NH3+]	ZINC000591361058	551866120	/nfs/dbraw/zinc/86/61/20/551866120.db2.gz	ZRCAILHGMHBWPM-OWOJBTEDSA-N	1	0	371.420	1.212	20	30		FDEDRO
N#Cc1cnc2ccccc2c1N1CCN(C(=O)NC/C=C/C[NH3+])CC1	ZINC000591360999	551866132	/nfs/dbraw/zinc/86/61/32/551866132.db2.gz	UWCKFWNZAGJSAA-ONEGZZNKSA-N	1	0	350.426	1.453	20	30		FDEDRO
N#Cc1cnc2ccccc2c1N1CCN(C(=O)NC/C=C\C[NH3+])CC1	ZINC000591360998	551866242	/nfs/dbraw/zinc/86/62/42/551866242.db2.gz	UWCKFWNZAGJSAA-ARJAWSKDSA-N	1	0	350.426	1.453	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c(F)c1	ZINC000591388105	551867218	/nfs/dbraw/zinc/86/72/18/551867218.db2.gz	LRTKYGCWQHHVSQ-KRWDZBQOSA-N	1	0	358.417	1.304	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1	ZINC000591574903	551880600	/nfs/dbraw/zinc/88/06/00/551880600.db2.gz	PTWNTVINPMAZFS-QZTJIDSGSA-N	1	0	354.454	1.507	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCc3cc(O)ccc3C2)nc1	ZINC000591763600	551906837	/nfs/dbraw/zinc/90/68/37/551906837.db2.gz	MYYBCSHDKGAOKN-MRXNPFEDSA-N	1	0	357.435	1.580	20	30		FDEDRO
CC(C)[C@@H]1C[C@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CCO1	ZINC000591770523	551907533	/nfs/dbraw/zinc/90/75/33/551907533.db2.gz	FWOPRSHGJWCVHZ-ZBFHGGJFSA-N	1	0	351.472	1.768	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNc2c(C#N)cnc3ccc(OC)cc32)CC1	ZINC000591895936	551914046	/nfs/dbraw/zinc/91/40/46/551914046.db2.gz	DGARZAAISGVHKZ-HNNXBMFYSA-N	1	0	353.470	1.975	20	30		FDEDRO
CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3ccc(CC#N)cc3)C2)CC1	ZINC000591939940	551918705	/nfs/dbraw/zinc/91/87/05/551918705.db2.gz	ZYKQMJIVIXEEPW-GOSISDBHSA-N	1	0	355.486	1.720	20	30		FDEDRO
N#CC[C@@]1(O)CCN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1	ZINC000591954685	551920051	/nfs/dbraw/zinc/92/00/51/551920051.db2.gz	RKZXAWMYDFOFND-UYAOXDASSA-N	1	0	356.470	1.611	20	30		FDEDRO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1	ZINC000591984907	551923486	/nfs/dbraw/zinc/92/34/86/551923486.db2.gz	JYIVQHWAFMKDKL-GFCCVEGCSA-N	1	0	368.397	1.571	20	30		FDEDRO
C[N@H+]1C[C@@H](c2ccccc2)[C@H](CNS(=O)(=O)c2cncc(C#N)c2)C1	ZINC000592089146	551938902	/nfs/dbraw/zinc/93/89/02/551938902.db2.gz	DXHGWVHDMWYYAL-AEFFLSMTSA-N	1	0	356.451	1.577	20	30		FDEDRO
N#CC[C@]1(O)CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1	ZINC000592148221	551949777	/nfs/dbraw/zinc/94/97/77/551949777.db2.gz	WSUAAPSLWABQKY-FQEVSTJZSA-N	1	0	356.470	1.249	20	30		FDEDRO
CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](CCC(=O)Nc2sccc2C#N)C1	ZINC000592184763	551955216	/nfs/dbraw/zinc/95/52/16/551955216.db2.gz	POXHIXKGUBSRIP-AWEZNQCLSA-N	1	0	374.388	1.949	20	30		FDEDRO
N#Cc1cccc(NC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)n1	ZINC000592266021	551970415	/nfs/dbraw/zinc/97/04/15/551970415.db2.gz	SHGCAJXWUPCMPP-KRWDZBQOSA-N	1	0	351.410	1.842	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1	ZINC000592340946	551982293	/nfs/dbraw/zinc/98/22/93/551982293.db2.gz	BDULVLOUBRXVBW-GOSISDBHSA-N	1	0	354.454	1.456	20	30		FDEDRO
CC(C)(C)OC(=O)C1(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)CCOCC1	ZINC000592445722	551996491	/nfs/dbraw/zinc/99/64/91/551996491.db2.gz	QAWLJNKVTPNZTH-MRXNPFEDSA-N	1	0	373.453	1.813	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)cc1	ZINC000592499892	552002814	/nfs/dbraw/zinc/00/28/14/552002814.db2.gz	PGPTYRIYJNXFBP-AWEZNQCLSA-N	1	0	353.426	1.887	20	30		FDEDRO
COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)C1	ZINC000592528644	552005395	/nfs/dbraw/zinc/00/53/95/552005395.db2.gz	AGIGSSHDMUXZLA-HZPDHXFCSA-N	1	0	362.426	1.734	20	30		FDEDRO
COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)C1	ZINC000592528639	552005408	/nfs/dbraw/zinc/00/54/08/552005408.db2.gz	AGIGSSHDMUXZLA-CVEARBPZSA-N	1	0	362.426	1.734	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CC[N@@H+]1C	ZINC000592750358	552023712	/nfs/dbraw/zinc/02/37/12/552023712.db2.gz	YAVTVHKPIWYZGA-GDBMZVCRSA-N	1	0	366.469	1.715	20	30		FDEDRO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C1(c2cc(F)cc(C#N)c2)CC1	ZINC000592875436	552037630	/nfs/dbraw/zinc/03/76/30/552037630.db2.gz	YNKDOUPGTXJRCZ-CYBMUJFWSA-N	1	0	358.417	1.307	20	30		FDEDRO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C	ZINC000592882394	552038451	/nfs/dbraw/zinc/03/84/51/552038451.db2.gz	XGLZLQJLMGGTLD-CRAIPNDOSA-N	1	0	372.469	1.540	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NCCCn3cncn3)CC2)c1	ZINC000593301910	552085937	/nfs/dbraw/zinc/08/59/37/552085937.db2.gz	MYVYEIHXKJCJGL-UHFFFAOYSA-N	1	0	367.457	1.504	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc4n(n3)CCO4)CC2)c1	ZINC000593348915	552093828	/nfs/dbraw/zinc/09/38/28/552093828.db2.gz	NUOXZFFWEVGXTL-UHFFFAOYSA-N	1	0	351.410	1.542	20	30		FDEDRO
CO[C@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1cnn(C)c1	ZINC000593351195	552094144	/nfs/dbraw/zinc/09/41/44/552094144.db2.gz	KAJPKNQWQGXLAP-IBGZPJMESA-N	1	0	367.453	1.760	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)CCn3ccccc3=O)CC2)c1	ZINC000593356293	552095032	/nfs/dbraw/zinc/09/50/32/552095032.db2.gz	WEYRMGTXPUYLCW-UHFFFAOYSA-N	1	0	364.449	1.891	20	30		FDEDRO
CCO[C@@H]1COC[C@H]1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593416207	552105112	/nfs/dbraw/zinc/10/51/12/552105112.db2.gz	XVHJFSRFSIKVRE-RTBURBONSA-N	1	0	372.469	1.626	20	30		FDEDRO
CCN1C[C@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1=O	ZINC000593462023	552112120	/nfs/dbraw/zinc/11/21/20/552112120.db2.gz	RJMDRJQIKVEVOR-SFHVURJKSA-N	1	0	371.485	1.500	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(Nc3ncc([N+](=O)[O-])c(N)n3)CC2)c1	ZINC000593514508	552120433	/nfs/dbraw/zinc/12/04/33/552120433.db2.gz	DTMXRGQMUPUPQV-UHFFFAOYSA-N	1	0	353.386	1.915	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(Nc3cncc(OCCO)n3)CC2)c1	ZINC000593514517	552120583	/nfs/dbraw/zinc/12/05/83/552120583.db2.gz	FIQVDSOBWPUSPC-UHFFFAOYSA-N	1	0	353.426	1.796	20	30		FDEDRO
C[C@H]1OCC[C@]1(O)CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593514631	552120689	/nfs/dbraw/zinc/12/06/89/552120689.db2.gz	XMBKCGOWLHFGNX-QRWLVFNGSA-N	1	0	372.469	1.362	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NCC3(CCO)CC3)CC2)c1	ZINC000593514674	552120783	/nfs/dbraw/zinc/12/07/83/552120783.db2.gz	YMNBAEKMCRZSRT-UHFFFAOYSA-N	1	0	356.470	1.984	20	30		FDEDRO
CC(C)NC(=O)[C@H](C)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593516182	552121191	/nfs/dbraw/zinc/12/11/91/552121191.db2.gz	MJAQDFOJJLBNDA-HNNXBMFYSA-N	1	0	371.485	1.735	20	30		FDEDRO
CC(C)N(C[C@@H](O)CO)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593517519	552121576	/nfs/dbraw/zinc/12/15/76/552121576.db2.gz	SGHMSZROQAZZOV-LJQANCHMSA-N	1	0	374.485	1.296	20	30		FDEDRO
CC(C)(C#N)c1ccc(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)cc1	ZINC000593550325	552130497	/nfs/dbraw/zinc/13/04/97/552130497.db2.gz	VNFYCSHPPZLRHM-UHFFFAOYSA-N	1	0	365.499	1.613	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N(C)CC[N@H+](C)C1CC1	ZINC000593578100	552141380	/nfs/dbraw/zinc/14/13/80/552141380.db2.gz	KQJIHOCYJGFIPL-UHFFFAOYSA-N	1	0	351.428	1.060	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@H](C)C[N@H+](C)C(C)C	ZINC000593596689	552147416	/nfs/dbraw/zinc/14/74/16/552147416.db2.gz	SRYRVNBTTMJNKE-GFCCVEGCSA-N	1	0	353.444	1.352	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)NC(C)(C)CCC[NH+](C)C	ZINC000593601797	552149007	/nfs/dbraw/zinc/14/90/07/552149007.db2.gz	QHTCUVNAVVWDJT-UHFFFAOYSA-N	1	0	367.471	1.744	20	30		FDEDRO
CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCC2(C#N)CCCC2)CC1	ZINC000593671977	552170405	/nfs/dbraw/zinc/17/04/05/552170405.db2.gz	SEDHBJABWGEINH-UHFFFAOYSA-N	1	0	372.473	1.679	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1	ZINC000593706483	552178507	/nfs/dbraw/zinc/17/85/07/552178507.db2.gz	LDNASWDHDBGELD-YQVWRLOYSA-N	1	0	372.469	1.865	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCC3CC[NH2+]CC3)C2=O)cc1	ZINC000593708541	552178682	/nfs/dbraw/zinc/17/86/82/552178682.db2.gz	UXOCVPVSZRCWPV-GOSISDBHSA-N	1	0	369.469	1.348	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)NCCC3CC[NH2+]CC3)C2=O)cc1	ZINC000593708542	552178735	/nfs/dbraw/zinc/17/87/35/552178735.db2.gz	UXOCVPVSZRCWPV-SFHVURJKSA-N	1	0	369.469	1.348	20	30		FDEDRO
N#Cc1cccc(CS(=O)(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1	ZINC000593733396	552186301	/nfs/dbraw/zinc/18/63/01/552186301.db2.gz	GJKMRWBXGRGPOY-OKZBNKHCSA-N	1	0	363.483	1.606	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)NCCC2CC[NH2+]CC2)cc1C#N	ZINC000593764890	552193751	/nfs/dbraw/zinc/19/37/51/552193751.db2.gz	DVDJMZKMKAEQSY-UHFFFAOYSA-N	1	0	358.442	1.790	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1F	ZINC000593766109	552194136	/nfs/dbraw/zinc/19/41/36/552194136.db2.gz	DFYRMPAIZYDWKW-VBQJREDUSA-N	1	0	374.416	1.381	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NCCC2(C[NH3+])CC2)cc1Br	ZINC000593767729	552194471	/nfs/dbraw/zinc/19/44/71/552194471.db2.gz	SXWHBCLYBACXTO-UHFFFAOYSA-N	1	0	365.231	1.504	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1	ZINC000593768228	552194475	/nfs/dbraw/zinc/19/44/75/552194475.db2.gz	XEYOGEOOXWQNRB-UXLLHSPISA-N	1	0	356.426	1.242	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1	ZINC000593768229	552194485	/nfs/dbraw/zinc/19/44/85/552194485.db2.gz	XEYOGEOOXWQNRB-YQQAZPJKSA-N	1	0	356.426	1.242	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NCCC2CC[NH2+]CC2)c1	ZINC000593772954	552195488	/nfs/dbraw/zinc/19/54/88/552195488.db2.gz	AFZDQOSNGINKFV-UHFFFAOYSA-N	1	0	366.368	1.604	20	30		FDEDRO
C[NH2+]Cc1ccccc1CNC(=O)C(=O)NCc1ccc(CC#N)cc1	ZINC000593783166	552196731	/nfs/dbraw/zinc/19/67/31/552196731.db2.gz	XJTVMIRXYQUQPU-UHFFFAOYSA-N	1	0	350.422	1.405	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2Cc3cccc(C#N)c3C2)CC1=O	ZINC000593892935	552219038	/nfs/dbraw/zinc/21/90/38/552219038.db2.gz	YOCIPJBMTBHGKZ-MSOLQXFVSA-N	1	0	366.465	1.733	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2Cc3cccc(C#N)c3C2)CC1=O	ZINC000593892937	552219510	/nfs/dbraw/zinc/21/95/10/552219510.db2.gz	YOCIPJBMTBHGKZ-ROUUACIJSA-N	1	0	366.465	1.733	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000593907630	552222865	/nfs/dbraw/zinc/22/28/65/552222865.db2.gz	PKRAGJSBHLTQQC-SWLSCSKDSA-N	1	0	370.375	1.278	20	30		FDEDRO
COC[C@H](C)CNC(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593928774	552227729	/nfs/dbraw/zinc/22/77/29/552227729.db2.gz	SPPUSUOQHUARFF-OAHLLOKOSA-N	1	0	372.469	1.038	20	30		FDEDRO
C[C@H](O)C[N@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C1CC1	ZINC000594061856	552244761	/nfs/dbraw/zinc/24/47/61/552244761.db2.gz	CHWBQSQVDHWCDI-HNAYVOBHSA-N	1	0	374.460	1.380	20	30		FDEDRO
C[C@@H](O)C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C1CC1	ZINC000594065799	552245553	/nfs/dbraw/zinc/24/55/53/552245553.db2.gz	UVZDYEJYCJZHLZ-ZBFHGGJFSA-N	1	0	362.499	1.302	20	30		FDEDRO
C[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)N1C[C@@H](C)O[C@@H](C)C1	ZINC000594098976	552248882	/nfs/dbraw/zinc/24/88/82/552248882.db2.gz	KOQGUARLPRPUSZ-XTDOFWJNSA-N	1	0	367.490	1.862	20	30		FDEDRO
CC(C)[C@H](CNC(=O)N1Cc2ccc(C#N)cc2C1)[NH+]1CCN(C)CC1	ZINC000594212299	552265055	/nfs/dbraw/zinc/26/50/55/552265055.db2.gz	XLCWOEZHRUUGLP-IBGZPJMESA-N	1	0	355.486	1.855	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000594263343	552273024	/nfs/dbraw/zinc/27/30/24/552273024.db2.gz	XQQHMKVNTVYRRY-BEFAXECRSA-N	1	0	368.481	1.678	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2Cc3ccc(C#N)cc3C2)CC1=O	ZINC000594404548	552304566	/nfs/dbraw/zinc/30/45/66/552304566.db2.gz	IOIVVPCUSFMRRK-RTBURBONSA-N	1	0	366.465	1.733	20	30		FDEDRO
C[NH+](C)CCN1C[C@H](C(=O)NC2(c3ccc(C#N)cc3)CCC2)CC1=O	ZINC000594404475	552304633	/nfs/dbraw/zinc/30/46/33/552304633.db2.gz	YCANUEUWBRRZSW-MRXNPFEDSA-N	1	0	354.454	1.464	20	30		FDEDRO
COc1ccc(C(=O)N2CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC2)cc1	ZINC000594425974	552308296	/nfs/dbraw/zinc/30/82/96/552308296.db2.gz	BSJUDMUQXIGNAO-KRWDZBQOSA-N	1	0	358.442	1.391	20	30		FDEDRO
C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)[C@H]([NH3+])CCCCC#N	ZINC000594425294	552308310	/nfs/dbraw/zinc/30/83/10/552308310.db2.gz	HICKJAYZFQMOTL-SWLSCSKDSA-N	1	0	352.460	1.265	20	30		FDEDRO
CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)[C@H]([NH3+])CCCCC#N)cc1	ZINC000594431391	552308557	/nfs/dbraw/zinc/30/85/57/552308557.db2.gz	LODISYBUKKKRPP-IUODEOHRSA-N	1	0	352.460	1.183	20	30		FDEDRO
COc1cccc(CC(=O)N2CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC2)c1	ZINC000594430988	552308912	/nfs/dbraw/zinc/30/89/12/552308912.db2.gz	FEIBYNAMCNDKNP-GOSISDBHSA-N	1	0	372.469	1.320	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1	ZINC000594437036	552309646	/nfs/dbraw/zinc/30/96/46/552309646.db2.gz	SODDTUQNYFZPNP-INIZCTEOSA-N	1	0	361.421	1.913	20	30		FDEDRO
C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)cn2)C[C@@H](C)O1	ZINC000594440942	552311217	/nfs/dbraw/zinc/31/12/17/552311217.db2.gz	JPVZQXOUIUPCGG-INMHGKMJSA-N	1	0	359.474	1.723	20	30		FDEDRO
CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)[C@H]([NH3+])CCCCC#N	ZINC000594446690	552312254	/nfs/dbraw/zinc/31/22/54/552312254.db2.gz	RLHDJPBYBFVPJG-GDBMZVCRSA-N	1	0	351.472	1.766	20	30		FDEDRO
COc1ccc(CN2CC[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)C2=O)cc1	ZINC000594447936	552312858	/nfs/dbraw/zinc/31/28/58/552312858.db2.gz	YCBOIRDGFLLNIP-IAGOWNOFSA-N	1	0	358.442	1.324	20	30		FDEDRO
CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1	ZINC000594513258	552327142	/nfs/dbraw/zinc/32/71/42/552327142.db2.gz	LXTQPDKTAPOLQS-LJQANCHMSA-N	1	0	370.497	1.510	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)C2=O)cc1	ZINC000594525956	552328032	/nfs/dbraw/zinc/32/80/32/552328032.db2.gz	YWEMYUUOSZHKAB-STQMWFEESA-N	1	0	369.347	1.242	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1	ZINC000594533971	552330247	/nfs/dbraw/zinc/33/02/47/552330247.db2.gz	XUOKUICAHVBQFN-HDICACEKSA-N	1	0	354.454	1.529	20	30		FDEDRO
N#Cc1c(-n2cccn2)cccc1N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1	ZINC000594582886	552337512	/nfs/dbraw/zinc/33/75/12/552337512.db2.gz	NCYSYHLHBFPUHJ-INIZCTEOSA-N	1	0	364.453	1.535	20	30		FDEDRO
CC(C)[N@H+](C)C[C@H](O)CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000594714994	552361871	/nfs/dbraw/zinc/36/18/71/552361871.db2.gz	WJAGDROVEOGPIL-IBGZPJMESA-N	1	0	358.486	1.910	20	30		FDEDRO
N#CC1(c2ccc(C[NH2+][C@H]3CC(=O)N(CCN4CCOCC4)C3)cc2)CC1	ZINC000594922691	552423979	/nfs/dbraw/zinc/42/39/79/552423979.db2.gz	QBVYFZJESUTSSI-IBGZPJMESA-N	1	0	368.481	1.264	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)s1	ZINC000595114322	552455040	/nfs/dbraw/zinc/45/50/40/552455040.db2.gz	WLCXKXYRGAEGTG-SCRDCRAPSA-N	1	0	355.485	1.527	20	30		FDEDRO
C[C@H](CCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)[NH+](C)C	ZINC000595125872	552459466	/nfs/dbraw/zinc/45/94/66/552459466.db2.gz	RJSYIDDDILOZLZ-SNVBAGLBSA-N	1	0	354.357	1.555	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1	ZINC000595195980	552486387	/nfs/dbraw/zinc/48/63/87/552486387.db2.gz	CWINBEKWNMLFDN-INIZCTEOSA-N	1	0	356.426	1.175	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1C#N	ZINC000595237403	552501621	/nfs/dbraw/zinc/50/16/21/552501621.db2.gz	YCIFXKDPNBSNOW-OAHLLOKOSA-N	1	0	358.442	1.374	20	30		FDEDRO
N#Cc1cccc(C2(NC(=O)N[C@H](C[NH3+])C(F)(F)F)CCOCC2)c1	ZINC000595236864	552501661	/nfs/dbraw/zinc/50/16/61/552501661.db2.gz	QUBYGBXSYVMWFT-CYBMUJFWSA-N	1	0	356.348	1.753	20	30		FDEDRO
CC(C)(NC(=O)C(=O)Nc1ccc(OCC[NH3+])cc1)c1cccc(C#N)c1	ZINC000595240676	552502833	/nfs/dbraw/zinc/50/28/33/552502833.db2.gz	VLCHXGPCHIUPPI-UHFFFAOYSA-N	1	0	366.421	1.886	20	30		FDEDRO
C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1	ZINC000595244783	552503923	/nfs/dbraw/zinc/50/39/23/552503923.db2.gz	MHBHKMQMXQHAED-LLVKDONJSA-N	1	0	354.414	1.023	20	30		FDEDRO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1	ZINC000595243907	552504065	/nfs/dbraw/zinc/50/40/65/552504065.db2.gz	ZEOPXZIAEPCTFA-YNEHKIRRSA-N	1	0	364.446	1.917	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CCCCC1	ZINC000595249338	552505120	/nfs/dbraw/zinc/50/51/20/552505120.db2.gz	NLTBWXBNNMGBIW-QGZVFWFLSA-N	1	0	370.453	1.876	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1	ZINC000595285050	552511516	/nfs/dbraw/zinc/51/15/16/552511516.db2.gz	ZJLMAHMQZXTXMH-XHSDSOJGSA-N	1	0	369.531	1.157	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1	ZINC000595285042	552511716	/nfs/dbraw/zinc/51/17/16/552511716.db2.gz	ZJLMAHMQZXTXMH-ARFHVFGLSA-N	1	0	369.531	1.157	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000595285047	552511926	/nfs/dbraw/zinc/51/19/26/552511926.db2.gz	ZJLMAHMQZXTXMH-JYJNAYRXSA-N	1	0	369.531	1.157	20	30		FDEDRO
CN(CC[N@H+](C)CCc1ccc(C#N)cc1)c1ccc(S(N)(=O)=O)cc1	ZINC000595521553	552577981	/nfs/dbraw/zinc/57/79/81/552577981.db2.gz	IXAUTIPPCMBPIX-UHFFFAOYSA-N	1	0	372.494	1.816	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC1(C#N)CCCCC1	ZINC000595551973	552583050	/nfs/dbraw/zinc/58/30/50/552583050.db2.gz	MOTGPUZCZFRZCC-MRXNPFEDSA-N	1	0	363.506	1.702	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC1(C#N)CCCCC1	ZINC000595551972	552583098	/nfs/dbraw/zinc/58/30/98/552583098.db2.gz	MOTGPUZCZFRZCC-INIZCTEOSA-N	1	0	363.506	1.702	20	30		FDEDRO
COC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C1CCOCC1	ZINC000595616189	552593342	/nfs/dbraw/zinc/59/33/42/552593342.db2.gz	QFKGPZTWJIAECU-QGZVFWFLSA-N	1	0	352.456	1.363	20	30		FDEDRO
CNC(=O)[C@@H](NC(=O)C[NH2+]C(C)(C)c1cccc(C#N)c1)c1ccccc1	ZINC000595639155	552596248	/nfs/dbraw/zinc/59/62/48/552596248.db2.gz	ICKQAKPIPLIXFS-IBGZPJMESA-N	1	0	364.449	1.986	20	30		FDEDRO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1	ZINC000595735824	552608790	/nfs/dbraw/zinc/60/87/90/552608790.db2.gz	DHIALXCUPFBRIF-YTIFWKSRSA-N	1	0	360.502	1.906	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@@H](CCF)C3)CC2)o1	ZINC000595754409	552611571	/nfs/dbraw/zinc/61/15/71/552611571.db2.gz	BBCFITRMRGPCJW-HNNXBMFYSA-N	1	0	363.437	1.575	20	30		FDEDRO
C[C@@](C#N)(NC(=O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1)C1CC1	ZINC000595774778	552613829	/nfs/dbraw/zinc/61/38/29/552613829.db2.gz	RZQIDELGKGCFDH-IBGZPJMESA-N	1	0	352.438	1.962	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000595806972	552618246	/nfs/dbraw/zinc/61/82/46/552618246.db2.gz	NPMULKKKMGZJJV-SJLPKXTDSA-N	1	0	369.469	1.837	20	30		FDEDRO
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+]2CC[C@H]3C[C@H]3C2)CC1	ZINC000595809813	552618980	/nfs/dbraw/zinc/61/89/80/552618980.db2.gz	JOOUTHQXZXQFJE-JENIJYKNSA-N	1	0	356.445	1.876	20	30		FDEDRO
COC(=O)c1cnc([C@@H]2CCCN(C(=O)[C@@H]([NH3+])CCCC#N)C2)s1	ZINC000595996210	552642330	/nfs/dbraw/zinc/64/23/30/552642330.db2.gz	QARUVQYLLZWSSW-NEPJUHHUSA-N	1	0	350.444	1.657	20	30		FDEDRO
Cc1cc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc(C#N)c1[N+](=O)[O-]	ZINC000596112320	552656367	/nfs/dbraw/zinc/65/63/67/552656367.db2.gz	NOWHITJCQITXQM-UHFFFAOYSA-N	1	0	357.414	1.519	20	30		FDEDRO
CC(C)(NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(C#N)c1	ZINC000596335146	552674671	/nfs/dbraw/zinc/67/46/71/552674671.db2.gz	FXZSNZUNVLYCJF-MRXNPFEDSA-N	1	0	371.485	1.680	20	30		FDEDRO
C[C@@H]1CO[C@@H](C)CN1CCNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1	ZINC000596429268	552678524	/nfs/dbraw/zinc/67/85/24/552678524.db2.gz	IXKYMFKCSBTTMX-OLZOCXBDSA-N	1	0	355.398	2.536	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1	ZINC000596570272	552690295	/nfs/dbraw/zinc/69/02/95/552690295.db2.gz	PXONEWTYAIXITD-INIZCTEOSA-N	1	0	370.453	1.744	20	30		FDEDRO
CN1CC[NH+](CC2CCN(C(=O)NCCc3ccc(C#N)cc3)CC2)CC1	ZINC000596675881	552700003	/nfs/dbraw/zinc/70/00/03/552700003.db2.gz	PKMURBIFOGBUHZ-UHFFFAOYSA-N	1	0	369.513	1.770	20	30		FDEDRO
Cc1cc(=NC(=O)NCC2CC[NH+](C3CCOCC3)CC2)[nH]n1CCC#N	ZINC000596816028	552713879	/nfs/dbraw/zinc/71/38/79/552713879.db2.gz	DNOLGRFQHOOJSX-UHFFFAOYSA-N	1	0	374.489	2.118	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)c3cc(F)c(C#N)c(F)c3)ccn2)CC1	ZINC000596818729	552714084	/nfs/dbraw/zinc/71/40/84/552714084.db2.gz	BZUOVERHNPGQLM-UHFFFAOYSA-N	1	0	371.391	1.913	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnc2n1CCOC2	ZINC000596827543	552715189	/nfs/dbraw/zinc/71/51/89/552715189.db2.gz	DBEUHOOMIHPZQK-UHFFFAOYSA-N	1	0	353.426	1.489	20	30		FDEDRO
C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N(C)CCCc1[nH]nc(N)c1C#N	ZINC000596845521	552717249	/nfs/dbraw/zinc/71/72/49/552717249.db2.gz	RLYNSSKDFTXFLQ-AWEZNQCLSA-N	1	0	361.494	1.558	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC2(C#N)CCCCC2)CC1	ZINC000596862597	552718935	/nfs/dbraw/zinc/71/89/35/552718935.db2.gz	WLHXYMXTWMPXNJ-INIZCTEOSA-N	1	0	361.490	1.408	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1cnn(Cc2ccccc2)c1N	ZINC000596926056	552725106	/nfs/dbraw/zinc/72/51/06/552725106.db2.gz	LDEJQLFMUBDNRK-UHFFFAOYSA-N	1	0	354.458	1.821	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCc2nc[nH]c2C1	ZINC000596974579	552730298	/nfs/dbraw/zinc/73/02/98/552730298.db2.gz	PYCUHNIIQFMFKD-QGZVFWFLSA-N	1	0	351.454	1.977	20	30		FDEDRO
C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)CC#N)C1	ZINC000597341319	552777210	/nfs/dbraw/zinc/77/72/10/552777210.db2.gz	CZCVOHQWHFFNSP-GOSISDBHSA-N	1	0	370.497	1.818	20	30		FDEDRO
Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc1S(=O)(=O)NCC#N	ZINC000597531298	552800620	/nfs/dbraw/zinc/80/06/20/552800620.db2.gz	CJSBNXLVUYWBFX-HUUCEWRRSA-N	1	0	364.471	1.009	20	30		FDEDRO
Cc1cc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)nn1-c1cccc(C#N)c1	ZINC000597574007	552806834	/nfs/dbraw/zinc/80/68/34/552806834.db2.gz	LGUOXVSIDKISJP-HXUWFJFHSA-N	1	0	367.453	1.581	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C1	ZINC000598341423	552887106	/nfs/dbraw/zinc/88/71/06/552887106.db2.gz	BEBYPMNCKMUBPJ-MRXNPFEDSA-N	1	0	354.458	1.751	20	30		FDEDRO
N#Cc1ncn(CC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)n1	ZINC000598397921	552892644	/nfs/dbraw/zinc/89/26/44/552892644.db2.gz	WIWHCAKJGJMAEE-QGZVFWFLSA-N	1	0	364.453	1.568	20	30		FDEDRO
Cc1nc2c(cnn2C)c(N2CC[NH+](C[C@H](O)CC(C)(C)C#N)CC2)n1	ZINC000598587573	552911932	/nfs/dbraw/zinc/91/19/32/552911932.db2.gz	CBPWCFDNYSMGMP-CQSZACIVSA-N	1	0	357.462	1.095	20	30		FDEDRO
CN(C(=O)CN1CCN(C[C@@H](O)CC(C)(C)C#N)CC1)C1CCCCC1	ZINC000598588972	552912341	/nfs/dbraw/zinc/91/23/41/552912341.db2.gz	FQRKJRHPTZRZBX-SFHVURJKSA-N	1	0	364.534	1.696	20	30		FDEDRO
COc1ccc([C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)N2CCOCC2)cc1	ZINC000598703015	552926964	/nfs/dbraw/zinc/92/69/64/552926964.db2.gz	AXPFLURFSCDYGU-MJGOQNOKSA-N	1	0	361.486	1.959	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(C(=O)N2CCOCC2)cc1	ZINC000599165569	552977446	/nfs/dbraw/zinc/97/74/46/552977446.db2.gz	SZDIJXBUXWICBL-UHFFFAOYSA-N	1	0	372.469	1.467	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C	ZINC000599209775	552986996	/nfs/dbraw/zinc/98/69/96/552986996.db2.gz	BHKNBLWKHYDNKR-UHFFFAOYSA-N	1	0	373.482	1.497	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)[C@@H]1COC(C)(C)C1	ZINC000599220487	552991353	/nfs/dbraw/zinc/99/13/53/552991353.db2.gz	WCIKAPIFPPMJQD-KRWDZBQOSA-N	1	0	365.499	1.819	20	30		FDEDRO
CC(C)(C)OC(=O)C1CCC(O)(C[NH+]2CCN(CCC#N)CC2)CC1	ZINC000599337298	553030711	/nfs/dbraw/zinc/03/07/11/553030711.db2.gz	UPKWIHTVVKHBJS-UHFFFAOYSA-N	1	0	351.491	1.781	20	30		FDEDRO
CS[C@H]1CN(CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H]1[NH+](C)C	ZINC000599337968	553031267	/nfs/dbraw/zinc/03/12/67/553031267.db2.gz	NMQDSTZWLPERTC-IRXDYDNUSA-N	1	0	357.479	1.263	20	30		FDEDRO
CN(C)C(=O)C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1ccccc1	ZINC000599349096	553034036	/nfs/dbraw/zinc/03/40/36/553034036.db2.gz	KOQHYBIWSYZIPY-MSOLQXFVSA-N	1	0	359.470	1.867	20	30		FDEDRO
C[C@H]([NH2+]C[C@H](O)CC1(C#N)CC1)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000599350692	553034628	/nfs/dbraw/zinc/03/46/28/553034628.db2.gz	YBLQXUFIAIEJEF-DZGCQCFKSA-N	1	0	351.472	1.642	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@]1(CO)CCOc2ccccc21	ZINC000599398085	553045814	/nfs/dbraw/zinc/04/58/14/553045814.db2.gz	SPOFGBKFLMNCPY-OXQOHEQNSA-N	1	0	354.406	1.558	20	30		FDEDRO
CC1(C)CCC[C@@](CO)([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000599594968	553098686	/nfs/dbraw/zinc/09/86/86/553098686.db2.gz	OBXJJJWMZNACHS-QGZVFWFLSA-N	1	0	351.472	1.648	20	30		FDEDRO
N#Cc1ccc(C2([NH2+]C[C@@H](O)COC[C@H]3CCCO3)CCOCC2)cc1	ZINC000599629936	553107557	/nfs/dbraw/zinc/10/75/57/553107557.db2.gz	BWPUKHZZWDUOLS-RTBURBONSA-N	1	0	360.454	1.710	20	30		FDEDRO
CCOC(=O)CCCNC(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1	ZINC000599632901	553108677	/nfs/dbraw/zinc/10/86/77/553108677.db2.gz	RBRDXEGDDXHEHJ-UHFFFAOYSA-N	1	0	373.453	1.613	20	30		FDEDRO
CNS(=O)(=O)C[C@@H]1CCC[N@H+](CCC(=O)Nc2sccc2C#N)C1	ZINC000599694888	553123891	/nfs/dbraw/zinc/12/38/91/553123891.db2.gz	WUSKKMXQRNDBOO-GFCCVEGCSA-N	1	0	370.500	1.210	20	30		FDEDRO
C[NH2+]CCOCCNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N	ZINC000599895432	553170032	/nfs/dbraw/zinc/17/00/32/553170032.db2.gz	CXZCMNNCUUHZNT-UHFFFAOYSA-N	1	0	352.460	1.208	20	30		FDEDRO
C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C[NH2+]1	ZINC000599896666	553170220	/nfs/dbraw/zinc/17/02/20/553170220.db2.gz	QMCFTEZNGGAWBD-GXSJLCMTSA-N	1	0	352.341	1.355	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1	ZINC000599900997	553171358	/nfs/dbraw/zinc/17/13/58/553171358.db2.gz	WOSBNUUHKVVZGH-OLZOCXBDSA-N	1	0	368.359	1.791	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)NCCOCCC[NH3+])CC2)c(F)c1	ZINC000599934656	553176895	/nfs/dbraw/zinc/17/68/95/553176895.db2.gz	OOUVVCUCJUHWLU-UHFFFAOYSA-N	1	0	364.421	1.616	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1	ZINC000599939733	553179459	/nfs/dbraw/zinc/17/94/59/553179459.db2.gz	YODWSKYNHPRKFM-SCTDSRPQSA-N	1	0	357.454	1.629	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](C(=O)N3CC[C@H]([N@@H+]4CC[C@@H](O)C4)C3)C2)c(F)c1	ZINC000599940110	553180102	/nfs/dbraw/zinc/18/01/02/553180102.db2.gz	LFFQZXUPWFWLTG-YESZJQIVSA-N	1	0	372.444	1.191	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c(F)cc1C#N	ZINC000599950062	553182797	/nfs/dbraw/zinc/18/27/97/553182797.db2.gz	WFNASBCLMSMYRS-CYBMUJFWSA-N	1	0	358.373	1.117	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1	ZINC000599955532	553184787	/nfs/dbraw/zinc/18/47/87/553184787.db2.gz	JDQNYFBZXPGPGO-RYUDHWBXSA-N	1	0	367.437	1.398	20	30		FDEDRO
C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C[NH2+]1	ZINC000599961382	553186612	/nfs/dbraw/zinc/18/66/12/553186612.db2.gz	BNRDSRLVERASPE-GOEBONIOSA-N	1	0	370.453	1.185	20	30		FDEDRO
CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc(OC)c(C#N)cc1F	ZINC000599974504	553190368	/nfs/dbraw/zinc/19/03/68/553190368.db2.gz	DTKPRNLTWGCISM-LBPRGKRZSA-N	1	0	364.421	1.881	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NC2CC[NH+](C3CCC3)CC2)c(F)cc1C#N	ZINC000599980074	553191734	/nfs/dbraw/zinc/19/17/34/553191734.db2.gz	JSBIRNUPKCOSCL-UHFFFAOYSA-N	1	0	374.416	1.778	20	30		FDEDRO
N#Cc1ccc(CC(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cn1	ZINC000600091680	553216707	/nfs/dbraw/zinc/21/67/07/553216707.db2.gz	IGZHLXGUEMDGQY-IBGZPJMESA-N	1	0	350.422	1.379	20	30		FDEDRO
Cc1cc(S(=O)(=O)NCC[NH2+]C[C@H](O)CC2(C#N)CC2)c(C)s1	ZINC000600728305	553308573	/nfs/dbraw/zinc/30/85/73/553308573.db2.gz	ORQDVESGVFFHAU-CYBMUJFWSA-N	1	0	357.501	1.288	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]CCN1CCc2ccccc2C1	ZINC000600716324	553306218	/nfs/dbraw/zinc/30/62/18/553306218.db2.gz	DVBCOCFWVPEHLD-HXUWFJFHSA-N	1	0	351.450	1.946	20	30		FDEDRO
CNC(=O)COc1cccc(C[NH2+]C[C@@H](O)COc2ccccc2C#N)c1	ZINC000600718068	553306663	/nfs/dbraw/zinc/30/66/63/553306663.db2.gz	FOQCTIRMJWHPGQ-QGZVFWFLSA-N	1	0	369.421	1.213	20	30		FDEDRO
COCC(=O)Nc1cccc(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)c1	ZINC000600720074	553306817	/nfs/dbraw/zinc/30/68/17/553306817.db2.gz	XEMXCILWRAPFIL-KRWDZBQOSA-N	1	0	361.442	1.432	20	30		FDEDRO
CCNC(=O)c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2C#N)cc1	ZINC000600720512	553307024	/nfs/dbraw/zinc/30/70/24/553307024.db2.gz	YZPQQTRFCDIGFK-GOSISDBHSA-N	1	0	353.422	1.837	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]CCOc1ccc([N+](=O)[O-])cc1	ZINC000600728358	553308596	/nfs/dbraw/zinc/30/85/96/553308596.db2.gz	TVGXSPMJLQEQBD-MRXNPFEDSA-N	1	0	357.366	1.875	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)CCOCC1	ZINC000600734125	553308982	/nfs/dbraw/zinc/30/89/82/553308982.db2.gz	DTTKASYWKDZKLI-SQNIBIBYSA-N	1	0	363.502	1.829	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2=O)CCOCC1	ZINC000600736767	553309037	/nfs/dbraw/zinc/30/90/37/553309037.db2.gz	QSXOMAFNMLXUAF-IRXDYDNUSA-N	1	0	361.417	1.592	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+][C@H]2CCCN(c3cccnc3)C2=O)CCOCC1	ZINC000600735317	553309097	/nfs/dbraw/zinc/30/90/97/553309097.db2.gz	NOEUMLGZFRECCZ-SJORKVTESA-N	1	0	358.442	1.238	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]([C@H]1CCCO1)C1(CO)CCC1	ZINC000600749196	553310654	/nfs/dbraw/zinc/31/06/54/553310654.db2.gz	PXULATSFABTPRU-BHIYHBOVSA-N	1	0	360.454	1.598	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)CCOCC1	ZINC000600747034	553310760	/nfs/dbraw/zinc/31/07/60/553310760.db2.gz	ZJWSMAFAGRRHOH-SJORKVTESA-N	1	0	357.454	1.732	20	30		FDEDRO
C[NH2+]C1(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCC1	ZINC000600827527	553319340	/nfs/dbraw/zinc/31/93/40/553319340.db2.gz	WHXWXHMZOUUUDI-CYBMUJFWSA-N	1	0	360.845	1.823	20	30		FDEDRO
C[NH+]1CCN(C[C@H](O)COc2cc(C#N)ccc2Br)CC1	ZINC000601070741	553345524	/nfs/dbraw/zinc/34/55/24/553345524.db2.gz	SWPDKLXJWSNKLR-ZDUSSCGKSA-N	1	0	354.248	1.308	20	30		FDEDRO
N#CCc1ccccc1S(=O)(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1	ZINC000601341673	553379731	/nfs/dbraw/zinc/37/97/31/553379731.db2.gz	IUWUFALBXXULFN-IAGOWNOFSA-N	1	0	363.483	1.660	20	30		FDEDRO
Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000601366172	553386099	/nfs/dbraw/zinc/38/60/99/553386099.db2.gz	BAWUJAFAZQFJLN-AWEZNQCLSA-N	1	0	367.446	1.349	20	30		FDEDRO
C[NH+]1CCN(CCCS(=O)(=O)NCc2ccc(C#N)c(Cl)c2)CC1	ZINC000601412989	553398781	/nfs/dbraw/zinc/39/87/81/553398781.db2.gz	XUKXATBIRPVFRM-UHFFFAOYSA-N	1	0	370.906	1.269	20	30		FDEDRO
CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2ccccc2CC#N)CC1	ZINC000601433220	553404343	/nfs/dbraw/zinc/40/43/43/553404343.db2.gz	CYHLKHOURCKUIG-UHFFFAOYSA-N	1	0	364.515	1.447	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC[N@@H+]1C	ZINC000601528137	553430173	/nfs/dbraw/zinc/43/01/73/553430173.db2.gz	HJBLYXAKOZONNJ-OKZBNKHCSA-N	1	0	354.454	1.506	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)C3(N4CCOCC4)CC3)CC2)c1	ZINC000601659412	553454669	/nfs/dbraw/zinc/45/46/69/553454669.db2.gz	OESLYUMSMBKJCD-UHFFFAOYSA-N	1	0	368.481	1.504	20	30		FDEDRO
C=C(C)C[C@@H](NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)C(=O)OC	ZINC000601780916	553474572	/nfs/dbraw/zinc/47/45/72/553474572.db2.gz	FILXMBYENFXYLN-GOSISDBHSA-N	1	0	359.470	1.672	20	30		FDEDRO
CN1CCN(c2cc[nH+]c(NC(=O)COc3ccccc3C#N)c2)CC1	ZINC000601806794	553477639	/nfs/dbraw/zinc/47/76/39/553477639.db2.gz	QIMGRYXYKRCOPW-UHFFFAOYSA-N	1	0	351.410	1.723	20	30		FDEDRO
CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)CC1	ZINC000602058343	553510373	/nfs/dbraw/zinc/51/03/73/553510373.db2.gz	QUFWWGGMBNVPAF-UHFFFAOYSA-N	1	0	355.442	1.759	20	30		FDEDRO
Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)N3CCN(CCC#N)CC3)C2)cc1	ZINC000602405041	553577533	/nfs/dbraw/zinc/57/75/33/553577533.db2.gz	ILGHHINQIBOUED-LJQANCHMSA-N	1	0	355.486	1.810	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)CC2(C#N)CCOCC2)cc1	ZINC000602527325	553599240	/nfs/dbraw/zinc/59/92/40/553599240.db2.gz	KGIMHWWNPBWDPC-INIZCTEOSA-N	1	0	365.499	1.962	20	30		FDEDRO
C[C@H](CCC#N)C[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1	ZINC000602536588	553600732	/nfs/dbraw/zinc/60/07/32/553600732.db2.gz	IDJDAVGUTKWWHC-IAGOWNOFSA-N	1	0	358.490	1.811	20	30		FDEDRO
C[C@@H](CCC#N)C[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1	ZINC000602536587	553600827	/nfs/dbraw/zinc/60/08/27/553600827.db2.gz	IDJDAVGUTKWWHC-DLBZAZTESA-N	1	0	358.490	1.811	20	30		FDEDRO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@]1(CO)COCC2(CCC2)N1C	ZINC000602720522	553627220	/nfs/dbraw/zinc/62/72/20/553627220.db2.gz	JTVBPJHHDKWQRW-LPHOPBHVSA-N	1	0	351.491	1.291	20	30		FDEDRO
N#CCc1ccc(NC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)cc1	ZINC000602776412	553635703	/nfs/dbraw/zinc/63/57/03/553635703.db2.gz	PYEZBPZCBARWGI-LJQANCHMSA-N	1	0	371.485	1.671	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[N@H+](C)[C@@H](C(C)(C)C)C2)CC1	ZINC000602874418	553656707	/nfs/dbraw/zinc/65/67/07/553656707.db2.gz	PKWUIAZYTMHXDS-QZTJIDSGSA-N	1	0	363.550	1.341	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CCN1CCOCC1)[C@H]1CCSC1	ZINC000602881264	553658972	/nfs/dbraw/zinc/65/89/72/553658972.db2.gz	LCIKQKULOLPRMI-IRXDYDNUSA-N	1	0	368.547	1.134	20	30		FDEDRO
Cc1cc(NC(=O)N2CCN(C(=O)CC#N)CC2)n(C2CC[NH+](C)CC2)n1	ZINC000602884565	553659878	/nfs/dbraw/zinc/65/98/78/553659878.db2.gz	ODHBDNDRIYGQID-UHFFFAOYSA-N	1	0	373.461	1.048	20	30		FDEDRO
Cc1cc(NC(=O)N2C[C@@H](C)N(CC#N)[C@H](C)C2)n(C2CC[NH+](C)CC2)n1	ZINC000602885873	553660499	/nfs/dbraw/zinc/66/04/99/553660499.db2.gz	YIVIKEBPXQVFAK-HZPDHXFCSA-N	1	0	373.505	1.908	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](n3ccnn3)CC2)cc1	ZINC000602889042	553661003	/nfs/dbraw/zinc/66/10/03/553661003.db2.gz	QBIZIJPHRUQECJ-ROUUACIJSA-N	1	0	355.442	1.811	20	30		FDEDRO
CN(C(=O)C[NH2+][C@@H]([C@@H]1CCCO1)C1(CO)CCC1)C1(C#N)CCCCC1	ZINC000602892778	553663021	/nfs/dbraw/zinc/66/30/21/553663021.db2.gz	TWGMCHZXEFJIBL-WMZOPIPTSA-N	1	0	363.502	1.971	20	30		FDEDRO
CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC(c3ccc(C#N)cn3)CC2)CC1	ZINC000602912242	553667499	/nfs/dbraw/zinc/66/74/99/553667499.db2.gz	MWTIFNVREHJTRW-HNNXBMFYSA-N	1	0	369.469	1.212	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(CCO)(CCO)CC2)cc1	ZINC000602965286	553682259	/nfs/dbraw/zinc/68/22/59/553682259.db2.gz	BMSKJIZELSSWOR-SFHVURJKSA-N	1	0	362.470	1.339	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)CC1	ZINC000602997737	553688764	/nfs/dbraw/zinc/68/87/64/553688764.db2.gz	PQWGDFJNLHBUON-VJANTYMQSA-N	1	0	362.518	1.304	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1	ZINC000603156954	553717766	/nfs/dbraw/zinc/71/77/66/553717766.db2.gz	NQDJCNUCBHXOJQ-QFBILLFUSA-N	1	0	356.470	1.564	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)Cn2cc(CC[NH+](C)C)nn2)c1C	ZINC000603205881	553731683	/nfs/dbraw/zinc/73/16/83/553731683.db2.gz	CVIJUANRVZEPRW-UHFFFAOYSA-N	1	0	354.458	1.946	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2c(C#N)cnn2-c2ccccc2)CC1	ZINC000603313851	553762726	/nfs/dbraw/zinc/76/27/26/553762726.db2.gz	HFKJYSVBBANTBK-SFHVURJKSA-N	1	0	364.453	1.487	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(CS(N)(=O)=O)c1	ZINC000603316925	553763570	/nfs/dbraw/zinc/76/35/70/553763570.db2.gz	DKDWVWJFGSZFID-BEFAXECRSA-N	1	0	374.510	1.800	20	30		FDEDRO
C[N@H+]1Cc2ccccc2[C@H](Nc2ccc(C#N)cc2CS(N)(=O)=O)C1	ZINC000603327531	553765287	/nfs/dbraw/zinc/76/52/87/553765287.db2.gz	CZTPKQVSCCANRB-GOSISDBHSA-N	1	0	356.451	1.945	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N1CCCC[C@H]1[C@@H](C)C[NH+](C)C	ZINC000603389734	553777564	/nfs/dbraw/zinc/77/75/64/553777564.db2.gz	DPIZKUFYMGBTMZ-HOTGVXAUSA-N	1	0	360.524	1.145	20	30		FDEDRO
C[C@H]1CN(c2ccc(C#N)cc2CS(N)(=O)=O)CC[N@@H+](C2CCC2)C1	ZINC000603388269	553777668	/nfs/dbraw/zinc/77/76/68/553777668.db2.gz	QWDJDVZRIDNOLN-CQSZACIVSA-N	1	0	362.499	1.657	20	30		FDEDRO
CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)c1ccc(C#N)cn1	ZINC000603401305	553780364	/nfs/dbraw/zinc/78/03/64/553780364.db2.gz	DRIFALSIPDJNBQ-UHFFFAOYSA-N	1	0	363.421	1.617	20	30		FDEDRO
C[C@@]1(C#N)CCCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1	ZINC000603436614	553788673	/nfs/dbraw/zinc/78/86/73/553788673.db2.gz	QQJVLYSBNHVTTO-MJGOQNOKSA-N	1	0	363.506	1.118	20	30		FDEDRO
CC[NH+](CC)C[C@@H](C)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C	ZINC000604460754	553879145	/nfs/dbraw/zinc/87/91/45/553879145.db2.gz	DAMXXGNCJGPYEN-CYBMUJFWSA-N	1	0	356.474	1.997	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2ccc(S(=O)(=O)NC)cc2)CC1	ZINC000608309884	554254165	/nfs/dbraw/zinc/25/41/65/554254165.db2.gz	QIENCSLEGQCIRE-UHFFFAOYSA-N	1	0	352.460	1.367	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CCn1cc(Br)cn1	ZINC000609045969	554334907	/nfs/dbraw/zinc/33/49/07/554334907.db2.gz	OEFYDMXDBHZFFF-UHFFFAOYSA-N	1	0	356.268	1.730	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1	ZINC000609569761	554394903	/nfs/dbraw/zinc/39/49/03/554394903.db2.gz	YLFIGMCHLJORMI-SFHVURJKSA-N	1	0	370.501	1.139	20	30		FDEDRO
C[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)N(C)CCC#N	ZINC000609574511	554395764	/nfs/dbraw/zinc/39/57/64/554395764.db2.gz	JFXOZUSMLVIYHX-KBPBESRZSA-N	1	0	366.487	1.348	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([NH2+]C[C@@H]3CCCN3c3cccnn3)C2=O)cc1	ZINC000609599916	554399502	/nfs/dbraw/zinc/39/95/02/554399502.db2.gz	RYOZMWQYXZJDQZ-ROUUACIJSA-N	1	0	362.437	1.712	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC[N@@H+]1C	ZINC000610402032	554500040	/nfs/dbraw/zinc/50/00/40/554500040.db2.gz	PYYPGJJOFRGKKB-PBHICJAKSA-N	1	0	356.474	1.704	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+](C(C)(C)CO)CC1	ZINC000610481028	554516595	/nfs/dbraw/zinc/51/65/95/554516595.db2.gz	DLXREXOFSLIVCR-QGZVFWFLSA-N	1	0	358.486	1.710	20	30		FDEDRO
CN1CCN(C(=O)C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1	ZINC000610540356	554525473	/nfs/dbraw/zinc/52/54/73/554525473.db2.gz	BPIYMTNNHBHWKD-UHFFFAOYSA-N	1	0	366.469	1.327	20	30		FDEDRO
N#Cc1ccc(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(F)c1	ZINC000610882232	554574756	/nfs/dbraw/zinc/57/47/56/554574756.db2.gz	AXOITHKXKJHJPB-ROUUACIJSA-N	1	0	360.433	1.874	20	30		FDEDRO
COc1ccc(NC(=O)CC[NH+]2CCN(CCC#N)CC2)c([N+](=O)[O-])c1	ZINC000611175971	554612405	/nfs/dbraw/zinc/61/24/05/554612405.db2.gz	QTNPNDHEDSMYMA-UHFFFAOYSA-N	1	0	361.402	1.463	20	30		FDEDRO
C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN(CCC#N)CC1	ZINC000611175603	554612453	/nfs/dbraw/zinc/61/24/53/554612453.db2.gz	JCLQJDXVJAVYLX-UYAOXDASSA-N	1	0	369.513	1.297	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[NH+](C(C)(C)CO)CC1	ZINC000611516023	554640660	/nfs/dbraw/zinc/64/06/60/554640660.db2.gz	NCIOTUODRFWCMS-UHFFFAOYSA-N	1	0	361.490	1.261	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)C1	ZINC000611556140	554645988	/nfs/dbraw/zinc/64/59/88/554645988.db2.gz	MEEHZCYMTIOURY-QGZVFWFLSA-N	1	0	367.453	1.893	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+][C@@H](CC(N)=O)C2CCCCC2)cc1	ZINC000612489946	554793298	/nfs/dbraw/zinc/79/32/98/554793298.db2.gz	KEFFUJCVUQTYCC-HKUYNNGSSA-N	1	0	359.470	1.906	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000612602577	554813963	/nfs/dbraw/zinc/81/39/63/554813963.db2.gz	YQQMWONVRWYDBS-LJQANCHMSA-N	1	0	371.481	1.571	20	30		FDEDRO
N#Cc1cccnc1-n1cc(NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cn1	ZINC000613152465	554892802	/nfs/dbraw/zinc/89/28/02/554892802.db2.gz	WPKNQTASMUBHKZ-OAHLLOKOSA-N	1	0	351.414	1.745	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)CC1	ZINC000613245630	554903874	/nfs/dbraw/zinc/90/38/74/554903874.db2.gz	IVJACBHEHGUKPR-QGZVFWFLSA-N	1	0	359.474	1.328	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)CC3(C#N)CCCCC3)CC2)C1	ZINC000613922461	554985800	/nfs/dbraw/zinc/98/58/00/554985800.db2.gz	CPFPJUKUKNCAHM-QGZVFWFLSA-N	1	0	368.547	1.502	20	30		FDEDRO
C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)C1CCS(=O)(=O)CC1	ZINC000614631627	555084555	/nfs/dbraw/zinc/08/45/55/555084555.db2.gz	JPKLNRCMFKQFAJ-AWEZNQCLSA-N	1	0	362.499	1.725	20	30		FDEDRO
CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	ZINC000615007179	555147866	/nfs/dbraw/zinc/14/78/66/555147866.db2.gz	GDLNDPBYMVZZOG-UHFFFAOYSA-N	1	0	367.409	1.704	20	30		FDEDRO
COCCOc1ccc([C@H](C)[NH2+]CC(=O)NC2(C#N)CCC2)cc1OC	ZINC000615229099	555175804	/nfs/dbraw/zinc/17/58/04/555175804.db2.gz	IBEVWXXBCGZBFN-AWEZNQCLSA-N	1	0	361.442	1.933	20	30		FDEDRO
N#C[C@@]1(F)CCN(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C1	ZINC000615594465	555217134	/nfs/dbraw/zinc/21/71/34/555217134.db2.gz	KCYBXLADGOKZQL-IBGZPJMESA-N	1	0	360.433	1.790	20	30		FDEDRO
N#C[C@@]1(F)CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1	ZINC000615639126	555223786	/nfs/dbraw/zinc/22/37/86/555223786.db2.gz	RYJMZTDIAGKIBS-KRWDZBQOSA-N	1	0	352.454	1.075	20	30		FDEDRO
CC(C)N1CC[NH+](C2CCN([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)CC1	ZINC000615793477	555241569	/nfs/dbraw/zinc/24/15/69/555241569.db2.gz	OCSQJFSCWIVYBH-KRWDZBQOSA-N	1	0	361.534	1.428	20	30		FDEDRO
CC[C@]1([NH2+]CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCOC1	ZINC000616866121	555350492	/nfs/dbraw/zinc/35/04/92/555350492.db2.gz	OSDLKIUUASTMTB-ICSRJNTNSA-N	1	0	374.460	1.693	20	30		FDEDRO
C=CCCn1cc(C(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)nn1	ZINC000617696483	555484088	/nfs/dbraw/zinc/48/40/88/555484088.db2.gz	KHWKSJAZPNEQBP-QGZVFWFLSA-N	1	0	355.442	1.351	20	30		FDEDRO
C=CCC1(NC(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)CCOCC1	ZINC000618248225	555599402	/nfs/dbraw/zinc/59/94/02/555599402.db2.gz	ZWZVDJUKVYZIOF-IRXDYDNUSA-N	1	0	363.502	1.561	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CCc2cc(C#N)ccc21	ZINC000618852167	555688760	/nfs/dbraw/zinc/68/87/60/555688760.db2.gz	SHDRHAZROKVSLT-DNVCBOLYSA-N	1	0	355.486	1.871	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)N[C@H]3CCc4cc(C#N)ccc43)C2)CC1	ZINC000618852284	555689008	/nfs/dbraw/zinc/68/90/08/555689008.db2.gz	DOZRGKHTLMTMRC-ICSRJNTNSA-N	1	0	367.497	1.967	20	30		FDEDRO
C[C@@H]1OCC[C@@]12C[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)C[C@@H](C)O2	ZINC000619175494	555733213	/nfs/dbraw/zinc/73/32/13/555733213.db2.gz	ALQVYQFJSXMHIG-NDUPCHFUSA-N	1	0	360.454	1.761	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2cccc(CC#N)c2)C[C@H]1[NH+]1CCCC1	ZINC000619497595	555789465	/nfs/dbraw/zinc/78/94/65/555789465.db2.gz	PMJALDQNADEFGN-IAGOWNOFSA-N	1	0	365.524	1.953	20	30		FDEDRO
Cc1c(C(=O)N2CC(C)(C#N)C2)nnn1-c1cccc2c1CC[N@@H+](C)C2	ZINC000619510553	555792289	/nfs/dbraw/zinc/79/22/89/555792289.db2.gz	KAOYPGWLGPFSRG-UHFFFAOYSA-N	1	0	350.426	1.549	20	30		FDEDRO
CS(=O)(=O)NC1CC([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000619747932	555830309	/nfs/dbraw/zinc/83/03/09/555830309.db2.gz	FODGJMKSNFCBIY-UHFFFAOYSA-N	1	0	373.482	1.634	20	30		FDEDRO
CC(C)(O)C[NH+]1CCN(C(=O)NCc2ccc(C#N)c(Cl)c2)CC1	ZINC000619826258	555840958	/nfs/dbraw/zinc/84/09/58/555840958.db2.gz	NRPHKTLALPZTAS-UHFFFAOYSA-N	1	0	350.850	1.810	20	30		FDEDRO
C=CCn1c(-c2cn[nH]c2)nnc1N1CCC(CC[NH+]2CCOCC2)CC1	ZINC000624846235	556654311	/nfs/dbraw/zinc/65/43/11/556654311.db2.gz	DYFKXUKJCCOMNT-UHFFFAOYSA-N	1	0	371.489	1.793	20	30		FDEDRO
NC(=O)C[C@H]([NH2+]CC#CCN1C(=O)c2ccccc2C1=O)C1CCCCC1	ZINC000625321843	556774659	/nfs/dbraw/zinc/77/46/59/556774659.db2.gz	XCMAXFRXAXBAQY-SFHVURJKSA-N	1	0	367.449	1.700	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1	ZINC000627434782	557400812	/nfs/dbraw/zinc/40/08/12/557400812.db2.gz	SQBLQCWYJCHQQS-JKSUJKDBSA-N	1	0	351.491	1.450	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3CCCC[N@@H+](C)C3)cc2C1=O	ZINC000628740140	557678683	/nfs/dbraw/zinc/67/86/83/557678683.db2.gz	AZWHZMPCMPAUAZ-AWEZNQCLSA-N	1	0	355.438	1.930	20	30		FDEDRO
C[NH+]1CCC(n2cc(NC(=O)C(=O)NCC#Cc3ccccc3)cn2)CC1	ZINC000635074892	558571782	/nfs/dbraw/zinc/57/17/82/558571782.db2.gz	OOFDIGTXFJAKQR-UHFFFAOYSA-N	1	0	365.437	1.256	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCc2ccc(C)cc2)C[C@H]1C	ZINC001104402579	782181103	/nfs/dbraw/zinc/18/11/03/782181103.db2.gz	PALMGDAURZEGSN-UYAOXDASSA-N	1	0	369.509	1.751	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1	ZINC000636726338	567977574	/nfs/dbraw/zinc/97/75/74/567977574.db2.gz	NNPBDJJJSALGMT-AEFFLSMTSA-N	1	0	374.485	1.260	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCc2nnc(C3CCOCC3)[nH]2)CC1	ZINC000636741611	567997105	/nfs/dbraw/zinc/99/71/05/567997105.db2.gz	HHRHTMDOYLZJSP-UHFFFAOYSA-N	1	0	362.478	1.538	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@](C)(CO)Cc2ccccc2OC)CC1	ZINC000636740001	567998426	/nfs/dbraw/zinc/99/84/26/567998426.db2.gz	NHOSHJNMMGCNGV-HXUWFJFHSA-N	1	0	361.486	1.938	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1	ZINC000636813408	568108209	/nfs/dbraw/zinc/10/82/09/568108209.db2.gz	CFZAPYRRPOHASD-MRXNPFEDSA-N	1	0	353.507	1.712	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1	ZINC000637017673	568305485	/nfs/dbraw/zinc/30/54/85/568305485.db2.gz	FTSZIORAKCBDQJ-INIZCTEOSA-N	1	0	351.491	1.465	20	30		FDEDRO
C[C@H]1CN2CCCC[C@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000408289064	568329020	/nfs/dbraw/zinc/32/90/20/568329020.db2.gz	BLOFRRDIMHWARX-STQMWFEESA-N	1	0	364.427	1.714	20	30		FDEDRO
C[C@@H]1CN2CCCC[C@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000408289062	568329053	/nfs/dbraw/zinc/32/90/53/568329053.db2.gz	BLOFRRDIMHWARX-OLZOCXBDSA-N	1	0	364.427	1.714	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N(C)Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000735426782	598392212	/nfs/dbraw/zinc/39/22/12/598392212.db2.gz	WSEWZIDYNDQVKU-UHFFFAOYSA-N	1	0	355.446	1.659	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1F	ZINC000272343086	674433667	/nfs/dbraw/zinc/43/36/67/674433667.db2.gz	XFCAKOQKIUGBRH-DGCLKSJQSA-N	1	0	355.435	1.099	20	30		FDEDRO
C[NH+]1CCC(C)(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1	ZINC000272572252	674457854	/nfs/dbraw/zinc/45/78/54/674457854.db2.gz	WITKIJMMQZDIMD-UHFFFAOYSA-N	1	0	363.483	1.321	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c1	ZINC000272655783	674464263	/nfs/dbraw/zinc/46/42/63/674464263.db2.gz	FVMNWRFEOQWTLW-AWEZNQCLSA-N	1	0	363.483	1.531	20	30		FDEDRO
C=CCS(=O)(=O)CCN[C@H](C)c1ccc(S(C)(=O)=O)c(OC)c1	ZINC000272797072	674475254	/nfs/dbraw/zinc/47/52/54/674475254.db2.gz	APVIZYARAPFFQA-GFCCVEGCSA-N	1	0	361.485	1.350	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@H](C)[C@H](c1ccccc1)N1CCOCC1	ZINC000272800509	674475640	/nfs/dbraw/zinc/47/56/40/674475640.db2.gz	BJYJMYGIGMVQMM-SJLPKXTDSA-N	1	0	352.500	1.639	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@@H](C)[C@@H](c1ccccc1)N1CCOCC1	ZINC000272800511	674475726	/nfs/dbraw/zinc/47/57/26/674475726.db2.gz	BJYJMYGIGMVQMM-WMZOPIPTSA-N	1	0	352.500	1.639	20	30		FDEDRO
C[NH+]1CCN(c2cc(C[NH2+][C@H](C(=O)[O-])c3ccc(C#N)cc3)ccn2)CC1	ZINC000737528679	600593764	/nfs/dbraw/zinc/59/37/64/600593764.db2.gz	LNJLVMFEJAQCGD-IBGZPJMESA-N	1	0	365.437	1.621	20	30		FDEDRO
COc1ccc(-c2nn[nH]n2)cc1NC(=O)N(CCC#N)CCC[NH+](C)C	ZINC000821762799	606657381	/nfs/dbraw/zinc/65/73/81/606657381.db2.gz	PQFSZDIPYDROCB-UHFFFAOYSA-N	1	0	372.433	1.575	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1cc(C#N)ccc1F	ZINC000825933874	608034321	/nfs/dbraw/zinc/03/43/21/608034321.db2.gz	HHWGQPYHAFSOJC-UHFFFAOYSA-N	1	0	355.381	1.247	20	30		FDEDRO
COCC[N@H+](CCC(=O)N(C)CCC#N)Cc1ccc(-c2nn[nH]n2)cc1	ZINC000826157728	608204866	/nfs/dbraw/zinc/20/48/66/608204866.db2.gz	ISCAZGORAWKSCS-UHFFFAOYSA-N	1	0	371.445	1.077	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC2(CC(C(=O)OC)=NO2)CC1	ZINC000274624974	674594429	/nfs/dbraw/zinc/59/44/29/674594429.db2.gz	UDGKREGTIOYKPN-CQSZACIVSA-N	1	0	351.447	1.583	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)c1cnn(CCOC)c1)C(C)C	ZINC000275612631	674625641	/nfs/dbraw/zinc/62/56/41/674625641.db2.gz	HHBJZHJINSRQJW-QGZVFWFLSA-N	1	0	370.519	1.506	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Cc1cc[nH]c(=O)c1Br	ZINC000278225280	675107506	/nfs/dbraw/zinc/10/75/06/675107506.db2.gz	URGNZLZCMFAFBS-UHFFFAOYSA-N	1	0	369.263	1.786	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]([NH3+])CCS(C)(=O)=O	ZINC000037800139	670880595	/nfs/dbraw/zinc/88/05/95/670880595.db2.gz	KMJIQVVXBYHRFD-NSHDSACASA-N	1	0	350.893	1.678	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O)C(C)C	ZINC000047633444	671041764	/nfs/dbraw/zinc/04/17/64/671041764.db2.gz	ONMJCGMAQQDIPA-IRXDYDNUSA-N	1	0	371.547	1.615	20	30		FDEDRO
NS(=O)(=O)c1ccc(N=NC2CC[NH+](C3CCCCC3)CC2)nc1	ZINC000063382631	671308738	/nfs/dbraw/zinc/30/87/38/671308738.db2.gz	UNDXZSZTVBLNHF-UHFFFAOYSA-N	1	0	351.476	1.925	20	30		FDEDRO
C#CC[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccc(F)cc1	ZINC000065958308	671335689	/nfs/dbraw/zinc/33/56/89/671335689.db2.gz	KKUOUQXDIWNQHU-UHFFFAOYSA-N	1	0	362.426	1.987	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(C[NH2+]C2CCN(CCS(C)(=O)=O)CC2)cc1	ZINC000068989008	671375408	/nfs/dbraw/zinc/37/54/08/671375408.db2.gz	RTSCFGCSONBRBM-HNNXBMFYSA-N	1	0	365.499	1.576	20	30		FDEDRO
C#CCOc1ccccc1C[NH2+]CCS(=O)(=O)NCc1ccccc1	ZINC000069065403	671376547	/nfs/dbraw/zinc/37/65/47/671376547.db2.gz	QOYHQXGRZUWMFO-UHFFFAOYSA-N	1	0	358.463	1.908	20	30		FDEDRO
C=CCn1c(C)nn(CN2CCC[C@H](C[NH+]3CCOCC3)C2)c1=S	ZINC000069796548	671387018	/nfs/dbraw/zinc/38/70/18/671387018.db2.gz	YKAJJQLGBZKOAT-MRXNPFEDSA-N	1	0	351.520	1.910	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1	ZINC000077730403	671434848	/nfs/dbraw/zinc/43/48/48/671434848.db2.gz	AKXFBROEPSNJOT-INIZCTEOSA-N	1	0	365.499	1.304	20	30		FDEDRO
[NH2+]=C(NC[C@@]1(O)CCSC1)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000083053602	671471124	/nfs/dbraw/zinc/47/11/24/671471124.db2.gz	IUHWKTHCLPYCRS-INIZCTEOSA-N	1	0	354.907	1.645	20	30		FDEDRO
C[NH+]=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)N1CCC[C@H](C)C1	ZINC000088662483	671490287	/nfs/dbraw/zinc/49/02/87/671490287.db2.gz	FORXTWVZIKPZPT-LBPRGKRZSA-N	1	0	366.478	1.558	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccc(S(=O)(=O)NC)cc1	ZINC000121315172	671702876	/nfs/dbraw/zinc/70/28/76/671702876.db2.gz	RMLFCKZHVYPBJC-CQSZACIVSA-N	1	0	352.456	1.485	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NC2CCC([NH3+])CC2)ccc1F	ZINC000131699491	671806086	/nfs/dbraw/zinc/80/60/86/671806086.db2.gz	FKFLMFHCALLVSX-UHFFFAOYSA-N	1	0	355.435	1.290	20	30		FDEDRO
C=C(Br)CNC(=O)NCc1ccnc(OCC[NH+](C)C)c1	ZINC000135237682	671835071	/nfs/dbraw/zinc/83/50/71/671835071.db2.gz	DHHQOJTXHFYUFS-UHFFFAOYSA-N	1	0	357.252	1.730	20	30		FDEDRO
C#CCSCCNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000152891086	671891591	/nfs/dbraw/zinc/89/15/91/671891591.db2.gz	HMWSEKDXKDRDDH-MSOLQXFVSA-N	1	0	361.511	1.535	20	30		FDEDRO
CC(C)CCC[C@H](C)NC(=[NH2+])NCCNS(=O)(=O)c1cccnc1	ZINC000157379041	671968298	/nfs/dbraw/zinc/96/82/98/671968298.db2.gz	JMKDVUBHJCEMHF-AWEZNQCLSA-N	1	0	355.508	1.479	20	30		FDEDRO
CN(C)C(NCc1ccccc1)=[NH+]CCNS(=O)(=O)c1cccnc1	ZINC000157380528	671968386	/nfs/dbraw/zinc/96/83/86/671968386.db2.gz	BZJSRNWBWWRFSB-UHFFFAOYSA-N	1	0	361.471	1.067	20	30		FDEDRO
[NH2+]=C(NCC(=O)NCC(F)(F)F)NCc1ccc(OC(F)(F)F)cc1	ZINC000176967384	672119369	/nfs/dbraw/zinc/11/93/69/672119369.db2.gz	QDKFTNSFMNSUCV-UHFFFAOYSA-N	1	0	372.269	1.668	20	30		FDEDRO
CC(C)[NH+]=C(NCC(=O)N(C)C)NC[C@H]1COC2(CCC(C)CC2)O1	ZINC000185365300	672259207	/nfs/dbraw/zinc/25/92/07/672259207.db2.gz	LAGSURWWORAHEK-CSLYMUCUSA-N	1	0	354.495	1.340	20	30		FDEDRO
[NH2+]=C(NCCN1CCCOCC1)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000187856113	672287258	/nfs/dbraw/zinc/28/72/58/672287258.db2.gz	RRUBIHZJZVNMQV-UHFFFAOYSA-N	1	0	365.909	1.499	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000190735607	672331591	/nfs/dbraw/zinc/33/15/91/672331591.db2.gz	CWKRCPGSSPCXRH-HUUCEWRRSA-N	1	0	352.479	1.984	20	30		FDEDRO
C=C(Br)CNC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1	ZINC000246518601	672515692	/nfs/dbraw/zinc/51/56/92/672515692.db2.gz	VPGDMWVEGMCYRH-QWHCGFSZSA-N	1	0	358.280	1.344	20	30		FDEDRO
C[C@@H]1CCCC[C@@H]1[NH+]=C(NCC(=O)N(C)C)N1CC[C@@]2(CCOC2)C1	ZINC000248894953	672541851	/nfs/dbraw/zinc/54/18/51/672541851.db2.gz	UNBBNNLTPCWSCV-JTDSTZFVSA-N	1	0	350.507	1.711	20	30		FDEDRO
CCc1nsc(N2CCN(C(NC[C@@]3(C)CCOC3)=[NH+]C)CC2)n1	ZINC000261676396	672648490	/nfs/dbraw/zinc/64/84/90/672648490.db2.gz	CQHYZOPXYUEXBF-MRXNPFEDSA-N	1	0	352.508	1.225	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)NC[C@@H]1CCC[C@H](C(F)(F)F)C1	ZINC000261755229	672665318	/nfs/dbraw/zinc/66/53/18/672665318.db2.gz	NVAPYALVOTXTQK-UPJWGTAASA-N	1	0	369.453	1.955	20	30		FDEDRO
C[NH+]=C(NC[C@]1(O)CCSC1)N[C@H]1CCN(c2c(F)cccc2F)C1	ZINC000261812926	672676693	/nfs/dbraw/zinc/67/66/93/672676693.db2.gz	SVGIVSWMQHOGSD-YVEFUNNKSA-N	1	0	370.469	1.577	20	30		FDEDRO
CC[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCC(OC(C)(C)C)CC1	ZINC000261816377	672677022	/nfs/dbraw/zinc/67/70/22/672677022.db2.gz	TZFBNDLKNDBGSS-CQSZACIVSA-N	1	0	359.536	1.666	20	30		FDEDRO
CC[NH+]=C(NCCNS(C)(=O)=O)N[C@@H]1CC(C)(C)Oc2ccccc21	ZINC000261936669	672697367	/nfs/dbraw/zinc/69/73/67/672697367.db2.gz	CQAYERHFJSSRCT-CQSZACIVSA-N	1	0	368.503	1.393	20	30		FDEDRO
CC[NH+]=C(NCC1Cc2ccccc2C1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261974956	672705381	/nfs/dbraw/zinc/70/53/81/672705381.db2.gz	NNLZWQVQYWBOCR-UHFFFAOYSA-N	1	0	363.527	1.876	20	30		FDEDRO
[NH2+]=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)N1CCSCC1	ZINC000261983835	672707133	/nfs/dbraw/zinc/70/71/33/672707133.db2.gz	JGMHGZDLZHWZMQ-MRXNPFEDSA-N	1	0	352.479	1.563	20	30		FDEDRO
CC[NH+]=C(NCc1ccc2c(c1)COC2)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261986535	672707681	/nfs/dbraw/zinc/70/76/81/672707681.db2.gz	QFNSMDJHCQAUHN-UHFFFAOYSA-N	1	0	365.499	1.691	20	30		FDEDRO
C[NH+]=C(NCCn1ccnc1C)N[C@H]1CCN(c2ncccc2Cl)C1	ZINC000262013264	672711895	/nfs/dbraw/zinc/71/18/95/672711895.db2.gz	XCIZCZBIAPWPRB-AWEZNQCLSA-N	1	0	361.881	1.684	20	30		FDEDRO
C=CCNC(N[C@@H]1CCc2ccccc2C1)=[NH+]C[C@@H]1CCS(=O)(=O)C1	ZINC000262257873	672756456	/nfs/dbraw/zinc/75/64/56/672756456.db2.gz	RNBVRPPDIJUDND-MAUKXSAKSA-N	1	0	361.511	1.700	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2	ZINC000262347301	672774642	/nfs/dbraw/zinc/77/46/42/672774642.db2.gz	DLVWMDVJQYNJJF-CAOSSQGBSA-N	1	0	369.531	1.322	20	30		FDEDRO
CC[NH+]=C(NCC1(SC)CCOCC1)N1CCN(C(=O)C(C)C)CC1	ZINC000262371053	672778170	/nfs/dbraw/zinc/77/81/70/672778170.db2.gz	IPHHPRUPYJVTHI-UHFFFAOYSA-N	1	0	370.563	1.664	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)=[NH+]C2CC2)C1	ZINC000262426221	672787607	/nfs/dbraw/zinc/78/76/07/672787607.db2.gz	RROWYUCHOGSOMA-SLBVQIDZSA-N	1	0	367.515	1.076	20	30		FDEDRO
CC(C)NS(=O)(=O)Cc1ccc(CNC(=[NH2+])N2CCO[C@H](C)C2)cc1	ZINC000262430981	672788499	/nfs/dbraw/zinc/78/84/99/672788499.db2.gz	DYIMIBRNWGJDQY-CQSZACIVSA-N	1	0	368.503	1.050	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)C(C)(C)C)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C	ZINC000262443582	672790534	/nfs/dbraw/zinc/79/05/34/672790534.db2.gz	VAHHSHRCHUEWLW-BFHYXJOUSA-N	1	0	359.536	1.568	20	30		FDEDRO
CN(Cc1ccon1)C(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CCCC1	ZINC000262448680	672791088	/nfs/dbraw/zinc/79/10/88/672791088.db2.gz	VQABWAUUORGPKM-CYBMUJFWSA-N	1	0	354.476	1.429	20	30		FDEDRO
Cc1nc(C)c(CNC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)s1	ZINC000262456509	672792634	/nfs/dbraw/zinc/79/26/34/672792634.db2.gz	WVHSPPNHJWGGHL-GFCCVEGCSA-N	1	0	356.517	1.392	20	30		FDEDRO
C[NH+]=C(NC[C@@H](O)C(F)(F)F)N(C)Cc1nc2c(s1)CCCC2	ZINC000262754663	672842158	/nfs/dbraw/zinc/84/21/58/672842158.db2.gz	ATXKZWUXBLHWSG-LLVKDONJSA-N	1	0	350.410	1.952	20	30		FDEDRO
CC[NH+]=C(NC[C@]1(N(C)C)CCSC1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C	ZINC000262792869	672850199	/nfs/dbraw/zinc/85/01/99/672850199.db2.gz	OQPZDAQAIXVDIC-LUXYFRNMSA-N	1	0	354.564	1.792	20	30		FDEDRO
C[NH+]=C(NC[C@H](O)C1CCCCC1)N1CC[C@@H](CN2CCOCC2)C1	ZINC000262790078	672850284	/nfs/dbraw/zinc/85/02/84/672850284.db2.gz	NSCZWERXRVLXCO-WMZOPIPTSA-N	1	0	352.523	1.157	20	30		FDEDRO
C[S@](=O)C1(CNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)CCC1	ZINC000262799488	672850795	/nfs/dbraw/zinc/85/07/95/672850795.db2.gz	MFUGVXYMLMIULG-DEOSSOPVSA-N	1	0	352.479	1.564	20	30		FDEDRO
CC[NH+]=C(NC[C@H]1CCCN1S(C)(=O)=O)NC[C@@]1(C)CCCS1	ZINC000262856932	672852400	/nfs/dbraw/zinc/85/24/00/672852400.db2.gz	YIYGVCOVNJAFRS-UKRRQHHQSA-N	1	0	362.565	1.251	20	30		FDEDRO
Cn1cc(Cl)c(CNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)n1	ZINC000263030007	672858908	/nfs/dbraw/zinc/85/89/08/672858908.db2.gz	BDMYYTFBTCNJAM-UHFFFAOYSA-N	1	0	350.829	1.850	20	30		FDEDRO
[NH2+]=C(NCC1(N2CCOCC2)CCOCC1)Nc1cc(F)ccc1F	ZINC000263044819	672859396	/nfs/dbraw/zinc/85/93/96/672859396.db2.gz	CVSGLPVBBRGEJO-UHFFFAOYSA-N	1	0	354.401	1.573	20	30		FDEDRO
[NH2+]=C(NCCN1CCC(O)CC1)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000263078141	672861169	/nfs/dbraw/zinc/86/11/69/672861169.db2.gz	HKUCDVMXODCAKZ-UHFFFAOYSA-N	1	0	365.909	1.233	20	30		FDEDRO
COc1cc(CNC(=[NH2+])NCCC(C)C)ccc1OCC(=O)N(C)C	ZINC000264067355	672899723	/nfs/dbraw/zinc/89/97/23/672899723.db2.gz	BXRCJSUPNCKDQO-UHFFFAOYSA-N	1	0	350.463	1.613	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1ccccc1OC(F)(F)F	ZINC000264121096	672901958	/nfs/dbraw/zinc/90/19/58/672901958.db2.gz	RAIDYZMAJBALIK-UHFFFAOYSA-N	1	0	360.380	1.712	20	30		FDEDRO
C#CCCS(=O)(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1	ZINC000288995742	676081476	/nfs/dbraw/zinc/08/14/76/676081476.db2.gz	YTLIGBNSVIUUGZ-UHFFFAOYSA-N	1	0	350.484	1.850	20	30		FDEDRO
C[NH+](C)[C@]1(CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)CCSC1	ZINC000267187432	673266246	/nfs/dbraw/zinc/26/62/46/673266246.db2.gz	ZFEOXTQUSBVQNE-AWEZNQCLSA-N	1	0	359.904	1.927	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CCN2CCC[C@@H]([NH+]3CCCC3)CC2)nc1	ZINC000290273985	676194426	/nfs/dbraw/zinc/19/44/26/676194426.db2.gz	LQYHLYAFURWOGK-QGZVFWFLSA-N	1	0	362.499	1.677	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)C1=O	ZINC000280915839	675469770	/nfs/dbraw/zinc/46/97/70/675469770.db2.gz	CTMVYLLZTVGQNV-CJNGLKHVSA-N	1	0	351.472	1.374	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+](C)C[C@H](O)COCc2ccccc2Cl)C1=O	ZINC000281500635	675524849	/nfs/dbraw/zinc/52/48/49/675524849.db2.gz	YBDWYVOVOADDMK-DOTOQJQBSA-N	1	0	352.862	1.936	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NCCc1ccc(OCC[NH+](C)C)cc1	ZINC000283029793	675647449	/nfs/dbraw/zinc/64/74/49/675647449.db2.gz	QDUMBCIZALPONW-HNNXBMFYSA-N	1	0	368.503	1.238	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](CO)C1)C(C)C	ZINC000283155832	675649576	/nfs/dbraw/zinc/64/95/76/675649576.db2.gz	KGJULIJPDKHDAJ-IAGOWNOFSA-N	1	0	351.491	1.032	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](c2ccsc2)N(C)C)CC1	ZINC000284273897	675683754	/nfs/dbraw/zinc/68/37/54/675683754.db2.gz	MYLCFYCBMPRVES-MRXNPFEDSA-N	1	0	364.515	1.234	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)CC)cc1	ZINC000284960258	675771996	/nfs/dbraw/zinc/77/19/96/675771996.db2.gz	ZTMQGHSKNITMCO-OLZOCXBDSA-N	1	0	367.471	1.531	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(F)c2)C[C@@H]1[NH+]1CCCC1	ZINC000292734231	676308433	/nfs/dbraw/zinc/30/84/33/676308433.db2.gz	VCNQIGWCXNKOHK-JKSUJKDBSA-N	1	0	369.487	1.898	20	30		FDEDRO
CC[N@H+](CCOCCC#N)C[C@H](O)COc1ccc(CCOC)cc1	ZINC000292908979	676327323	/nfs/dbraw/zinc/32/73/23/676327323.db2.gz	HGCIDMSMTIBGBC-SFHVURJKSA-N	1	0	350.459	1.867	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F	ZINC000293312954	676344691	/nfs/dbraw/zinc/34/46/91/676344691.db2.gz	IGXVLUQQRMGMOQ-UHFFFAOYSA-N	1	0	359.323	1.854	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(CC(F)(F)F)c1	ZINC000293398469	676349572	/nfs/dbraw/zinc/34/95/72/676349572.db2.gz	OGINFPIILKHEAM-UHFFFAOYSA-N	1	0	355.360	1.801	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)CC[C@H]1CCOC1	ZINC000293447992	676351212	/nfs/dbraw/zinc/35/12/12/676351212.db2.gz	KKFPDBSYMYHKMW-MRXNPFEDSA-N	1	0	365.499	1.678	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1sc(C)cc1C(=O)OCC	ZINC000293457448	676351675	/nfs/dbraw/zinc/35/16/75/676351675.db2.gz	TTYOUQWTDBBDIJ-UHFFFAOYSA-N	1	0	365.455	1.243	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])ccc1F	ZINC000293747841	676363672	/nfs/dbraw/zinc/36/36/72/676363672.db2.gz	VRWGZNZZEINBQV-TZMCWYRMSA-N	1	0	369.462	1.489	20	30		FDEDRO
C#CCN(C)CCCNC(=O)[C@@H](C)CS(=O)(=O)c1ccc(OC)cc1	ZINC000294120549	676375825	/nfs/dbraw/zinc/37/58/25/676375825.db2.gz	ZQXGRRNQFBWQGV-HNNXBMFYSA-N	1	0	366.483	1.176	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)CC1	ZINC000299130793	676518811	/nfs/dbraw/zinc/51/88/11/676518811.db2.gz	DKXKEEYZIYPZSB-UHFFFAOYSA-N	1	0	363.483	1.529	20	30		FDEDRO
[NH2+]=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)NC[C@H]1CCCO1	ZINC000303256593	676542293	/nfs/dbraw/zinc/54/22/93/676542293.db2.gz	IHIZJUGMNFXRQQ-IAGOWNOFSA-N	1	0	366.893	1.797	20	30		FDEDRO
CC(C)CNC(=[NH2+])NCc1ccccc1S(=O)(=O)N1CCCCC1	ZINC000303789717	676542971	/nfs/dbraw/zinc/54/29/71/676542971.db2.gz	VPRBWMRFJDRMMH-UHFFFAOYSA-N	1	0	352.504	1.922	20	30		FDEDRO
CCCNC(=O)CCNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1	ZINC000303869266	676543345	/nfs/dbraw/zinc/54/33/45/676543345.db2.gz	DUDYMXRRXCQTQT-UHFFFAOYSA-N	1	0	351.882	1.693	20	30		FDEDRO
CCc1cccc(CC)c1NC(=[NH2+])NCCS(=O)(=O)N1CCOCC1	ZINC000303968907	676543930	/nfs/dbraw/zinc/54/39/30/676543930.db2.gz	BEVGYXVADNXWTK-UHFFFAOYSA-N	1	0	368.503	1.200	20	30		FDEDRO
CN(C)C(NCc1ccccc1)=[NH+]CCS(=O)(=O)NCC1CCC1	ZINC000304754177	676544286	/nfs/dbraw/zinc/54/42/86/676544286.db2.gz	LRJDHUBPXSSRAY-UHFFFAOYSA-N	1	0	352.504	1.413	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCc2ccc(O)c(F)c2)CC1	ZINC000304762787	676544509	/nfs/dbraw/zinc/54/45/09/676544509.db2.gz	VYGBZJTWJGIGGS-UHFFFAOYSA-N	1	0	352.410	1.899	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000328611488	676599895	/nfs/dbraw/zinc/59/98/95/676599895.db2.gz	ONTVGGHIAUJKNF-KURKYZTESA-N	1	0	351.491	1.926	20	30		FDEDRO
NS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1	ZINC000328622084	676600020	/nfs/dbraw/zinc/60/00/20/676600020.db2.gz	XYDOXJHSMUQTIR-HZPDHXFCSA-N	1	0	366.487	1.100	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2CCC(=O)NC23CCC3)C1	ZINC000328744269	676604924	/nfs/dbraw/zinc/60/49/24/676604924.db2.gz	NVSCHJONSBMHTJ-CABCVRRESA-N	1	0	352.479	1.888	20	30		FDEDRO
C[C@H](NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)C(=O)NC[C@@H]1CCS(=O)(=O)C1	ZINC000328759160	676605729	/nfs/dbraw/zinc/60/57/29/676605729.db2.gz	WGDDRRYPOGKSIE-AICCOOGYSA-N	1	0	373.519	1.984	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2OCCN(CC(=O)NCCOc3cccc(F)c3)[C@H]2C1	ZINC000329020773	676616349	/nfs/dbraw/zinc/61/63/49/676616349.db2.gz	LYSZNMMYNNJDCZ-IRXDYDNUSA-N	1	0	351.422	1.566	20	30		FDEDRO
C[C@H](CNC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)[N@@H+]1CCC[C@@H](C)C1	ZINC000329026306	676616549	/nfs/dbraw/zinc/61/65/49/676616549.db2.gz	JSHKRNLWWLQTHJ-UYTYNIKBSA-N	1	0	353.507	1.883	20	30		FDEDRO
CC(C)N1C(=O)N[C@@H]2CN(C(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)CC[C@@H]21	ZINC000329059534	676617986	/nfs/dbraw/zinc/61/79/86/676617986.db2.gz	NBXHVGGYFQCXPV-QXSJWSMHSA-N	1	0	351.495	1.854	20	30		FDEDRO
CC(C)N1C(=O)N[C@@H]2CN(C(=O)NCCC3CC[NH+](C)CC3)CC[C@@H]21	ZINC000329074062	676618522	/nfs/dbraw/zinc/61/85/22/676618522.db2.gz	BFBHFTZJFCFCJU-CVEARBPZSA-N	1	0	351.495	1.713	20	30		FDEDRO
Cc1csc(NC(=O)CN2CCC[C@@](O)(C(=O)N3CCCC3)C2)n1	ZINC000329141974	676622373	/nfs/dbraw/zinc/62/23/73/676622373.db2.gz	UPKZWIPDIRXMIK-INIZCTEOSA-N	1	0	352.460	1.489	20	30		FDEDRO
C[C@@H](C(=O)Nc1nccs1)N1CCC[C@@](O)(C(=O)N2CCCC2)C1	ZINC000329147276	676622578	/nfs/dbraw/zinc/62/25/78/676622578.db2.gz	XSJHSMZOVSADBB-LRDDRELGSA-N	1	0	352.460	1.569	20	30		FDEDRO
COCc1nc(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)cs1	ZINC000329172910	676623693	/nfs/dbraw/zinc/62/36/93/676623693.db2.gz	LDQDNMWTQTVMJZ-ZDUSSCGKSA-N	1	0	352.460	1.289	20	30		FDEDRO
COCc1nc(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)cs1	ZINC000329172909	676623698	/nfs/dbraw/zinc/62/36/98/676623698.db2.gz	LDQDNMWTQTVMJZ-CYBMUJFWSA-N	1	0	352.460	1.289	20	30		FDEDRO
O=C(NC[C@@H]1COCCO1)NCC1([NH+]2CCSCC2)CCCCC1	ZINC000329239308	676627615	/nfs/dbraw/zinc/62/76/15/676627615.db2.gz	LVXPCJOMEQVHOI-OAHLLOKOSA-N	1	0	357.520	1.657	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(CC(F)(F)F)C(=O)C2)C1	ZINC000329238983	676627684	/nfs/dbraw/zinc/62/76/84/676627684.db2.gz	LOWDSCLWJXIVAV-ZDUSSCGKSA-N	1	0	364.412	1.727	20	30		FDEDRO
CS(=O)(=O)NCC1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1	ZINC000329243730	676627982	/nfs/dbraw/zinc/62/79/82/676627982.db2.gz	PGVXKZDDGYXMII-UHFFFAOYSA-N	1	0	372.535	1.036	20	30		FDEDRO
CC[C@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C)C(=O)N1CCOCC1	ZINC000329295264	676631824	/nfs/dbraw/zinc/63/18/24/676631824.db2.gz	SIPUATQOFRMWAU-PMPSAXMXSA-N	1	0	352.479	1.096	20	30		FDEDRO
C[C@H](CNC(=O)[C@@H]1CSCN1C(=O)C1CCC1)N1CC[NH+](C)CC1	ZINC000329327427	676633308	/nfs/dbraw/zinc/63/33/08/676633308.db2.gz	UPFGBAJAPARUNL-HIFRSBDPSA-N	1	0	354.520	1.280	20	30		FDEDRO
O=C(NC1CC[NH+](CC2CC2)CC1)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O	ZINC000329344535	676634348	/nfs/dbraw/zinc/63/43/48/676634348.db2.gz	CLUJMPYWNHLDHM-KSZLIROESA-N	1	0	351.491	1.637	20	30		FDEDRO
CN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000329360898	676635205	/nfs/dbraw/zinc/63/52/05/676635205.db2.gz	YELBTVWADOPGHK-MRXNPFEDSA-N	1	0	351.495	1.608	20	30		FDEDRO
Cc1nccn1C[C@H](C)CNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O	ZINC000329404591	676637236	/nfs/dbraw/zinc/63/72/36/676637236.db2.gz	YYZNIAVGIWJUCA-XBVQOTNRSA-N	1	0	350.463	1.603	20	30		FDEDRO
O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NCC[NH+]1CCSCC1	ZINC000329421206	676637896	/nfs/dbraw/zinc/63/78/96/676637896.db2.gz	HDCJZJCPXIQXOD-OKILXGFUSA-N	1	0	353.488	1.557	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)CC1	ZINC000329434958	676638514	/nfs/dbraw/zinc/63/85/14/676638514.db2.gz	JKHFUFBYJXIWJC-CXAGYDPISA-N	1	0	351.451	1.882	20	30		FDEDRO
CN(C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000329441751	676638836	/nfs/dbraw/zinc/63/88/36/676638836.db2.gz	NEDLIYDOFGAZDI-ZGVCCVRISA-N	1	0	362.396	1.621	20	30		FDEDRO
O=C(CCN1CCCS1(=O)=O)NC1CC[NH+](Cc2cccnc2)CC1	ZINC000329463376	676639772	/nfs/dbraw/zinc/63/97/72/676639772.db2.gz	QLTUPEHEIZMCAT-UHFFFAOYSA-N	1	0	366.487	1.428	20	30		FDEDRO
O=C(NCCc1cn2c(n1)SCC2)[C@@H]1COCCN1CC1CCC1	ZINC000329485490	676641015	/nfs/dbraw/zinc/64/10/15/676641015.db2.gz	GAFZCCPXTMIMIR-HNNXBMFYSA-N	1	0	350.488	1.989	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCOC[C@H]1CC(F)F	ZINC000329568322	676644372	/nfs/dbraw/zinc/64/43/72/676644372.db2.gz	TYXTULANPINBOE-KFWWJZLASA-N	1	0	361.433	1.634	20	30		FDEDRO
NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CCOCC3(CCC3)C2)c1	ZINC000329770618	676654717	/nfs/dbraw/zinc/65/47/17/676654717.db2.gz	GDWXEYFCTDSQKB-UHFFFAOYSA-N	1	0	367.471	1.815	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCc1nnc(C(C)(C)C)s1	ZINC000329814681	676658418	/nfs/dbraw/zinc/65/84/18/676658418.db2.gz	DGMOHVZQWLQFHG-LBPRGKRZSA-N	1	0	354.524	1.475	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2CCCN(c3nc(C)ns3)CC2)CC1	ZINC000329841538	676660288	/nfs/dbraw/zinc/66/02/88/676660288.db2.gz	WSXRLZWFHDWDMG-UHFFFAOYSA-N	1	0	366.535	1.799	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc(S(C)(=O)=O)s3)CC[C@H]21	ZINC000329885913	676662336	/nfs/dbraw/zinc/66/23/36/676662336.db2.gz	VIHASPDDODFBLY-TZMCWYRMSA-N	1	0	371.528	1.982	20	30		FDEDRO
Cc1noc([C@H]2C[C@@H](O)CN2C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)n1	ZINC000329898077	676662940	/nfs/dbraw/zinc/66/29/40/676662940.db2.gz	DMDOCVWPNGWZHX-RRFJBIMHSA-N	1	0	351.451	1.520	20	30		FDEDRO
CC(=O)N1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1	ZINC000330073054	676671343	/nfs/dbraw/zinc/67/13/43/676671343.db2.gz	KECFEMAVJHIZDP-QGZVFWFLSA-N	1	0	350.507	1.762	20	30		FDEDRO
CCc1csc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1	ZINC000330160628	676675815	/nfs/dbraw/zinc/67/58/15/676675815.db2.gz	SFEBFXHNZDCTOW-ZDUSSCGKSA-N	1	0	351.476	1.489	20	30		FDEDRO
CC(C)CN1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)[C@@H](C)C1=O	ZINC000330197044	676677853	/nfs/dbraw/zinc/67/78/53/676677853.db2.gz	RGRYIYMXTCVBDC-WMLDXEAASA-N	1	0	356.536	1.526	20	30		FDEDRO
CC(C)CN1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)[C@@H](C)C1=O	ZINC000330194953	676677862	/nfs/dbraw/zinc/67/78/62/676677862.db2.gz	ZHNNLRZRAGUTFZ-HNNXBMFYSA-N	1	0	350.507	1.964	20	30		FDEDRO
CC(C)[C@H](CNC(=O)N[C@@H]1CCOC2(CCC2)C1)[NH+]1CCN(C)CC1	ZINC000330207655	676678438	/nfs/dbraw/zinc/67/84/38/676678438.db2.gz	AKYKGASASFLFJH-SJORKVTESA-N	1	0	352.523	1.864	20	30		FDEDRO
CC1(C)CN(CCNC(=O)N[C@H]2CCOC3(CCOCC3)C2)CCO1	ZINC000330217251	676679109	/nfs/dbraw/zinc/67/91/09/676679109.db2.gz	IIGSRPGZATUZHF-HNNXBMFYSA-N	1	0	355.479	1.329	20	30		FDEDRO
C[C@@H]1CCS(=O)(=O)CCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000330328579	676684287	/nfs/dbraw/zinc/68/42/87/676684287.db2.gz	LVDUHODOCHNZSQ-OAHLLOKOSA-N	1	0	373.519	1.054	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1	ZINC000330376605	676686665	/nfs/dbraw/zinc/68/66/65/676686665.db2.gz	DPZAMHVKGDBEAQ-AEFFLSMTSA-N	1	0	364.515	1.967	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1	ZINC000330377852	676686926	/nfs/dbraw/zinc/68/69/26/676686926.db2.gz	QOBWYFSEAPKNOJ-ULQDDVLXSA-N	1	0	372.535	1.430	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000330378782	676687099	/nfs/dbraw/zinc/68/70/99/676687099.db2.gz	RUJBERBDGVAONS-AEFFLSMTSA-N	1	0	364.515	1.967	20	30		FDEDRO
CC[NH+](CC)CCS(=O)(=O)N1CCN(C(=O)NC2CCCCC2)CC1	ZINC000330485031	676693026	/nfs/dbraw/zinc/69/30/26/676693026.db2.gz	ZWIJSHTZPIYGRU-UHFFFAOYSA-N	1	0	374.551	1.522	20	30		FDEDRO
CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1	ZINC000330704112	676701410	/nfs/dbraw/zinc/70/14/10/676701410.db2.gz	JMLNIUUUSUVSQX-KBPBESRZSA-N	1	0	354.495	1.688	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)CC1	ZINC000330727110	676702200	/nfs/dbraw/zinc/70/22/00/676702200.db2.gz	GAQBWNZOOKSULE-HUUCEWRRSA-N	1	0	360.524	1.225	20	30		FDEDRO
C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1	ZINC000330897401	676708613	/nfs/dbraw/zinc/70/86/13/676708613.db2.gz	UESMYIFDULFLNC-VXGBXAGGSA-N	1	0	357.451	1.940	20	30		FDEDRO
CN(CC[NH+](C)C)C(=O)NC1CCC(C(=O)N2CCSCC2)CC1	ZINC000331085509	676716135	/nfs/dbraw/zinc/71/61/35/676716135.db2.gz	ZVIXTBJUQMGQQU-UHFFFAOYSA-N	1	0	356.536	1.528	20	30		FDEDRO
CN(Cc1ccc([S@](C)=O)cc1)C(=O)NC[C@@H]1C[N@H+](C)CCN1C	ZINC000331171916	676720114	/nfs/dbraw/zinc/72/01/14/676720114.db2.gz	UOTCHCBLOBLPGO-MYYSRTQBSA-N	1	0	352.504	1.016	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC(CS(N)(=O)=O)CC1	ZINC000331298484	676726367	/nfs/dbraw/zinc/72/63/67/676726367.db2.gz	VDMWLSHIBAEZGH-ZIAGYGMSSA-N	1	0	360.524	1.021	20	30		FDEDRO
Cc1cc(S(N)(=O)=O)ccc1CNC(=O)N1CC[NH+](CC(C)C)CC1	ZINC000331351470	676728402	/nfs/dbraw/zinc/72/84/02/676728402.db2.gz	WLAFWSOSXOQQJH-UHFFFAOYSA-N	1	0	368.503	1.330	20	30		FDEDRO
N#CCc1ccc(C[N@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1	ZINC000331420208	676729042	/nfs/dbraw/zinc/72/90/42/676729042.db2.gz	HXRUZHFQVKFYQH-SFHVURJKSA-N	1	0	363.483	1.379	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1	ZINC000364857992	677057215	/nfs/dbraw/zinc/05/72/15/677057215.db2.gz	ZBQBLDBWAWDYST-IBGZPJMESA-N	1	0	351.491	1.228	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1	ZINC000366317840	677432851	/nfs/dbraw/zinc/43/28/51/677432851.db2.gz	UGQVRKIYQFXNGS-SMDDNHRTSA-N	1	0	370.272	1.693	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1	ZINC000366697601	677460900	/nfs/dbraw/zinc/46/09/00/677460900.db2.gz	HQGQYPQWAHMGTQ-BZSNNMDCSA-N	1	0	350.507	1.389	20	30		FDEDRO
CCC[C@]1(CO)CC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1	ZINC000367356608	677491538	/nfs/dbraw/zinc/49/15/38/677491538.db2.gz	OQGCCTDPHHAPAP-HKUYNNGSSA-N	1	0	350.507	1.163	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCCC[C@H]2CCS(C)(=O)=O)CC1	ZINC000368195952	677498699	/nfs/dbraw/zinc/49/86/99/677498699.db2.gz	YEGFWDLLYBTEEZ-INIZCTEOSA-N	1	0	357.520	1.636	20	30		FDEDRO
CS(=O)(=O)N1CCC[C@H](C[NH+]2CCC(C#N)(c3ccccn3)CC2)C1	ZINC000368513054	677500214	/nfs/dbraw/zinc/50/02/14/677500214.db2.gz	AGAXDWLCZFRKRF-MRXNPFEDSA-N	1	0	362.499	1.610	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCCCCC2)C1	ZINC000368992895	677502617	/nfs/dbraw/zinc/50/26/17/677502617.db2.gz	OUAOEGDAOQMCIF-OAHLLOKOSA-N	1	0	350.463	1.113	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21	ZINC000370843047	677619677	/nfs/dbraw/zinc/61/96/77/677619677.db2.gz	LNAJDFWGKUBQKD-GVDBMIGSSA-N	1	0	363.483	1.739	20	30		FDEDRO
COC[C@@H]1CCCC[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1	ZINC000372109418	677844568	/nfs/dbraw/zinc/84/45/68/677844568.db2.gz	RUTBINLQQVGUBF-QZTJIDSGSA-N	1	0	350.507	1.427	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1	ZINC000374387460	678077506	/nfs/dbraw/zinc/07/75/06/678077506.db2.gz	OWVXHUDQEVLAQL-KRWDZBQOSA-N	1	0	351.834	1.643	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000374604592	678088033	/nfs/dbraw/zinc/08/80/33/678088033.db2.gz	VXLLDMWQKSSRSJ-RDJZCZTQSA-N	1	0	350.488	1.577	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1	ZINC000374634341	678088490	/nfs/dbraw/zinc/08/84/90/678088490.db2.gz	ZZJUWBXVMVWYOS-UAGQMJEPSA-N	1	0	363.483	1.350	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N[C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C	ZINC000374880134	678092865	/nfs/dbraw/zinc/09/28/65/678092865.db2.gz	KSYQQHUKALLCJL-SWLSCSKDSA-N	1	0	365.503	1.263	20	30		FDEDRO
CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1	ZINC000375717039	678160961	/nfs/dbraw/zinc/16/09/61/678160961.db2.gz	DWKSXWXZQFIRAL-MRXNPFEDSA-N	1	0	357.520	1.833	20	30		FDEDRO
N#Cc1ccc(S(N)(=O)=O)cc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1	ZINC000376402422	678296279	/nfs/dbraw/zinc/29/62/79/678296279.db2.gz	IMIFZJUUSYQJKP-RHSMWYFYSA-N	1	0	360.483	1.659	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1	ZINC000409567041	678861566	/nfs/dbraw/zinc/86/15/66/678861566.db2.gz	HXESFHMNAWLDRE-IAGOWNOFSA-N	1	0	374.551	1.441	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C2)C1=O	ZINC000410388889	678892188	/nfs/dbraw/zinc/89/21/88/678892188.db2.gz	MDRXUGIRYREXBL-KGLIPLIRSA-N	1	0	361.408	1.896	20	30		FDEDRO
C[C@H](C#N)CN(C)C(=O)C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1	ZINC000411021657	678980109	/nfs/dbraw/zinc/98/01/09/678980109.db2.gz	PRWYKXZRMGYGBL-OAHLLOKOSA-N	1	0	350.507	1.963	20	30		FDEDRO
COC[C@@H]1C[C@H](O)C[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000411920625	679096688	/nfs/dbraw/zinc/09/66/88/679096688.db2.gz	ITHFKNJTELFAOK-STQMWFEESA-N	1	0	363.483	1.909	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NC[C@H](O)COc1cccc(C(F)(F)F)c1	ZINC000424107681	680830135	/nfs/dbraw/zinc/83/01/35/680830135.db2.gz	OOASBIYKLHPJPM-JSGCOSHPSA-N	1	0	359.348	1.582	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)C2CC[NH2+]CC2)cc1	ZINC000414893814	679372835	/nfs/dbraw/zinc/37/28/35/679372835.db2.gz	KKTDIZSCBHGINC-UHFFFAOYSA-N	1	0	366.487	1.709	20	30		FDEDRO
CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000415499953	679440688	/nfs/dbraw/zinc/44/06/88/679440688.db2.gz	PLZRXUMXQFJCBF-GFCCVEGCSA-N	1	0	367.247	1.893	20	30		FDEDRO
CCC[NH2+]CCNC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	ZINC000415517864	679443298	/nfs/dbraw/zinc/44/32/98/679443298.db2.gz	LIRZTKYBBUYXCU-UHFFFAOYSA-N	1	0	357.439	1.736	20	30		FDEDRO
C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000415537578	679446705	/nfs/dbraw/zinc/44/67/05/679446705.db2.gz	GZBMDPNEUBHOCC-UWVGGRQHSA-N	1	0	365.231	1.455	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)[C@@H](C)C[NH2+]1	ZINC000415574843	679456129	/nfs/dbraw/zinc/45/61/29/679456129.db2.gz	WUHCVWIWGXBOQV-UWVGGRQHSA-N	1	0	365.231	1.468	20	30		FDEDRO
CC(C)C[C@H](C[NH3+])NC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1	ZINC000415591806	679460204	/nfs/dbraw/zinc/46/02/04/679460204.db2.gz	BCXQIXDOQBGSCU-GXTWGEPZSA-N	1	0	352.460	1.867	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000415609951	679464556	/nfs/dbraw/zinc/46/45/56/679464556.db2.gz	HRZVZLBYNJPACA-NOZJJQNGSA-N	1	0	365.231	1.373	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)ccc1Br	ZINC000415646099	679470979	/nfs/dbraw/zinc/47/09/79/679470979.db2.gz	MINWTDLYWIQKPC-QWRGUYRKSA-N	1	0	365.231	1.645	20	30		FDEDRO
C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000415670366	679476021	/nfs/dbraw/zinc/47/60/21/679476021.db2.gz	ILOVBPICPPHTBD-ZANVPECISA-N	1	0	354.332	1.772	20	30		FDEDRO
COC[C@]1(CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CCC[NH2+]1	ZINC000415701835	679481924	/nfs/dbraw/zinc/48/19/24/679481924.db2.gz	CFBBRBZGXZXKQE-MRXNPFEDSA-N	1	0	350.806	1.035	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21	ZINC000415818545	679513721	/nfs/dbraw/zinc/51/37/21/679513721.db2.gz	UVPPYMJKSHZFFL-NFAWXSAZSA-N	1	0	358.467	1.697	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000416371120	679589300	/nfs/dbraw/zinc/58/93/00/679589300.db2.gz	KXWBXCJDGSWJGZ-KRWDZBQOSA-N	1	0	364.515	1.416	20	30		FDEDRO
C=CCNC(=O)CNC(=O)Nc1ccc(OCC[NH+](C)C)c(OC)c1	ZINC000417690225	679917870	/nfs/dbraw/zinc/91/78/70/679917870.db2.gz	UVGCFOWWRSOUHR-UHFFFAOYSA-N	1	0	350.419	1.059	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)c1ccc(F)c(F)c1	ZINC000419672966	680315034	/nfs/dbraw/zinc/31/50/34/680315034.db2.gz	GWZGRDZZNXBTPT-KFNAQCHYSA-N	1	0	351.397	1.894	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1)c1ccc(F)c(F)c1	ZINC000419686125	680320588	/nfs/dbraw/zinc/32/05/88/680320588.db2.gz	YMKSHYNESRYZCN-MKBNYLNASA-N	1	0	351.397	1.907	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCCO[C@H](C[NH3+])C2)cc1C(F)(F)F	ZINC000420474842	680467578	/nfs/dbraw/zinc/46/75/78/680467578.db2.gz	ZAAJVYAVQGRUJI-LLVKDONJSA-N	1	0	363.361	1.315	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1	ZINC000430398530	681075265	/nfs/dbraw/zinc/07/52/65/681075265.db2.gz	DCIOBYUPPADYLY-NCOADZHNSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1	ZINC000430411846	681076003	/nfs/dbraw/zinc/07/60/03/681076003.db2.gz	VVKUTENPXXFXDN-IKGGRYGDSA-N	1	0	351.491	1.322	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)CC2(C#N)CCC2)CC1	ZINC000474594641	685428336	/nfs/dbraw/zinc/42/83/36/685428336.db2.gz	OLGXNDDWIITLTD-INIZCTEOSA-N	1	0	354.520	1.112	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C	ZINC000435587407	681607632	/nfs/dbraw/zinc/60/76/32/681607632.db2.gz	CQDCAFYSJDVAAD-JKSUJKDBSA-N	1	0	370.519	1.321	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1	ZINC000437776607	681812966	/nfs/dbraw/zinc/81/29/66/681812966.db2.gz	PTLPTYAMRXEQFM-KURKYZTESA-N	1	0	352.523	1.540	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c1	ZINC000440342689	681988448	/nfs/dbraw/zinc/98/84/48/681988448.db2.gz	SAVLKRJJEVUPHY-CZUORRHYSA-N	1	0	351.472	1.493	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1	ZINC000449636600	682692594	/nfs/dbraw/zinc/69/25/94/682692594.db2.gz	DRITZGAHKHBHFM-UKRRQHHQSA-N	1	0	351.472	1.398	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[NH2+]CC2(C)C)c1	ZINC000449697000	682701217	/nfs/dbraw/zinc/70/12/17/682701217.db2.gz	LIEUGWDZVMVMSY-HNNXBMFYSA-N	1	0	351.472	1.269	20	30		FDEDRO
C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)Cc1cc(C#N)cs1	ZINC000449754544	682709551	/nfs/dbraw/zinc/70/95/51/682709551.db2.gz	LXBJKLAWSLMGSK-UHFFFAOYSA-N	1	0	369.443	1.917	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H](C)[C@@H](C)CO	ZINC000450731655	682777051	/nfs/dbraw/zinc/77/70/51/682777051.db2.gz	ZRSJDOYUDQNIHB-JSGCOSHPSA-N	1	0	350.463	1.558	20	30		FDEDRO
CN(C1CC[NH+](CCn2cccn2)CC1)S(=O)(=O)CC(C)(C)CC#N	ZINC000451183775	682838574	/nfs/dbraw/zinc/83/85/74/682838574.db2.gz	KPZSZHYGNFPBGS-UHFFFAOYSA-N	1	0	367.519	1.549	20	30		FDEDRO
CC(C)(CC#N)CS(=O)(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000451236558	682848312	/nfs/dbraw/zinc/84/83/12/682848312.db2.gz	AEXAPUXVUPRWGC-GOSISDBHSA-N	1	0	365.499	1.483	20	30		FDEDRO
C[C@H]([N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C(C)(C)O	ZINC000451374679	682872995	/nfs/dbraw/zinc/87/29/95/682872995.db2.gz	UEWVZPQUKIOQDD-GJZGRUSLSA-N	1	0	364.515	1.548	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H](C)C1	ZINC000453599413	683168602	/nfs/dbraw/zinc/16/86/02/683168602.db2.gz	NABLCZURMQUABM-RYUDHWBXSA-N	1	0	363.849	1.782	20	30		FDEDRO
C[C@H](NC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1)C(C)(C)C[NH+](C)C	ZINC000453669683	683181570	/nfs/dbraw/zinc/18/15/70/683181570.db2.gz	OKYASDCMEKFOJT-JTQLQIEISA-N	1	0	351.838	1.638	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453672099	683182565	/nfs/dbraw/zinc/18/25/65/683182565.db2.gz	QTYBWMMEEYYBNC-BDJLRTHQSA-N	1	0	360.845	1.943	20	30		FDEDRO
CC[C@@H]1CN(C(=O)Nc2cnc(C#N)c(Cl)c2)CC[N@@H+]1C[C@H](C)O	ZINC000455780400	683499434	/nfs/dbraw/zinc/49/94/34/683499434.db2.gz	ILCZUKCUJUMXDJ-WCQYABFASA-N	1	0	351.838	1.916	20	30		FDEDRO
N#Cc1ncc(NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1Cl	ZINC000455788085	683500405	/nfs/dbraw/zinc/50/04/05/683500405.db2.gz	NVCVACHHFSXOSZ-LLVKDONJSA-N	1	0	364.837	1.316	20	30		FDEDRO
Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CC(C)(C)CC#N)CC1	ZINC000459730372	684452016	/nfs/dbraw/zinc/45/20/16/684452016.db2.gz	LTDBRAXOCBEWIR-UHFFFAOYSA-N	1	0	353.492	1.709	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1	ZINC000459827354	684464726	/nfs/dbraw/zinc/46/47/26/684464726.db2.gz	YFCKFMNONUMOGV-QGZVFWFLSA-N	1	0	350.507	1.040	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1CCC([N@H+](C)C[C@H](C)O)CC1	ZINC000463527576	684696754	/nfs/dbraw/zinc/69/67/54/684696754.db2.gz	SDSHHMCCIJQHGL-ZDUSSCGKSA-N	1	0	367.471	1.033	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H](NC(=O)NC)C1)C(C)C	ZINC000467806425	684877288	/nfs/dbraw/zinc/87/72/88/684877288.db2.gz	RPNYWDXMCZNPSY-JKSUJKDBSA-N	1	0	351.495	1.398	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)c(F)c2)CC1	ZINC000489271871	687087819	/nfs/dbraw/zinc/08/78/19/687087819.db2.gz	SCNMASGKRJPMLQ-UHFFFAOYSA-N	1	0	369.462	1.865	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N2CCC(OCCC[NH+](C)C)CC2)cc1C#N	ZINC000489570917	687105155	/nfs/dbraw/zinc/10/51/55/687105155.db2.gz	XJLXAZNNDFUUEB-UHFFFAOYSA-N	1	0	366.487	1.383	20	30		FDEDRO
C=CCSc1ccccc1NC(=O)CN1CCN([C@H]2CC[NH2+]C2)CC1	ZINC000489862825	687118068	/nfs/dbraw/zinc/11/80/68/687118068.db2.gz	YKGOCTCWKPJSES-INIZCTEOSA-N	1	0	360.527	1.883	20	30		FDEDRO
COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cnc(C)c(C#N)c1	ZINC000489878514	687119484	/nfs/dbraw/zinc/11/94/84/687119484.db2.gz	BOBSWMGAVBTGMK-UHFFFAOYSA-N	1	0	366.487	1.383	20	30		FDEDRO
C[C@@H](CNS(=O)(=O)c1ccc(C#N)c(Br)c1)C[NH+](C)C	ZINC000490052131	687128888	/nfs/dbraw/zinc/12/88/88/687128888.db2.gz	YKAHOXFBORXPRG-JTQLQIEISA-N	1	0	360.277	1.797	20	30		FDEDRO
CC[NH+](CC)CCN(C(=O)c1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1	ZINC000490106478	687133132	/nfs/dbraw/zinc/13/31/32/687133132.db2.gz	OTWYZFRTVQESIL-CYBMUJFWSA-N	1	0	353.444	1.122	20	30		FDEDRO
N#Cc1ncn(CC[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)n1	ZINC000512885184	689646586	/nfs/dbraw/zinc/64/65/86/689646586.db2.gz	LTBBFPCGVHBNBP-UHFFFAOYSA-N	1	0	372.230	1.888	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O	ZINC000514933684	689788091	/nfs/dbraw/zinc/78/80/91/689788091.db2.gz	VQFXHQZTSJSXLW-UKRRQHHQSA-N	1	0	350.850	1.241	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]CCC2CCS(=O)(=O)CC2)cc1	ZINC000515234579	689831584	/nfs/dbraw/zinc/83/15/84/689831584.db2.gz	KUDXYQXIQKHVHR-QGZVFWFLSA-N	1	0	366.483	1.297	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N(CC[C@H]2CC[NH2+]C2)C[C@H]2CCCO2)cc1	ZINC000516862227	689998783	/nfs/dbraw/zinc/99/87/83/689998783.db2.gz	QCLPWCFNHAIMBA-IAGOWNOFSA-N	1	0	363.483	1.728	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]32)CC1	ZINC000517988168	690110785	/nfs/dbraw/zinc/11/07/85/690110785.db2.gz	KAUWNLRIGCMGDZ-YQQAZPJKSA-N	1	0	366.531	1.479	20	30		FDEDRO
N#Cc1ccc(NC(=O)NCC(=O)N2CC[NH2+]CC2)cc1C(F)(F)F	ZINC000521359380	690410167	/nfs/dbraw/zinc/41/01/67/690410167.db2.gz	QVBULMCJVUMNCV-UHFFFAOYSA-N	1	0	355.320	1.130	20	30		FDEDRO
CC(C)C(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1	ZINC000522416054	694482605	/nfs/dbraw/zinc/48/26/05/694482605.db2.gz	UZIKOBMALAUWEG-JTDSTZFVSA-N	1	0	350.507	1.914	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCCN(c2nccs2)CC1	ZINC000528358332	694711894	/nfs/dbraw/zinc/71/18/94/694711894.db2.gz	LDUCMXZQXNCMBO-INIZCTEOSA-N	1	0	358.467	1.967	20	30		FDEDRO
CC(C)[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1	ZINC000528686674	694743202	/nfs/dbraw/zinc/74/32/02/694743202.db2.gz	HCJVEUIXRPHSBS-CJNGLKHVSA-N	1	0	364.471	1.834	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3cccc(C#N)c3)C2)CC1	ZINC000531837667	694852365	/nfs/dbraw/zinc/85/23/65/694852365.db2.gz	ZRRWXAWCOWSNIV-QGZVFWFLSA-N	1	0	362.499	1.347	20	30		FDEDRO
N#Cc1cc(-c2ccnc(Cl)n2)c(N2CCN3CC[NH2+]C[C@H]3C2)cc1F	ZINC001164399186	718834498	/nfs/dbraw/zinc/83/44/98/718834498.db2.gz	QIOKJQZRKCGDCH-ZDUSSCGKSA-N	1	0	372.835	1.902	20	30		FDEDRO
N#Cc1cc(Cl)ncc1C(F)(F)N1CCCO[C@@]2(C[NH2+]CCOC2)C1	ZINC001164423077	718915568	/nfs/dbraw/zinc/91/55/68/718915568.db2.gz	DUPBRHWAJCYLMO-HNNXBMFYSA-N	1	0	372.803	1.737	20	30		FDEDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(C#N)c(OC)n1)C2	ZINC001164809770	720089939	/nfs/dbraw/zinc/08/99/39/720089939.db2.gz	KCCCPFLCSSEDHZ-LPHOPBHVSA-N	1	0	357.458	1.542	20	30		FDEDRO
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(C#N)cn1)CCC2	ZINC001164812549	720206757	/nfs/dbraw/zinc/20/67/57/720206757.db2.gz	LDLWRFHUCZXYCG-UHFFFAOYSA-N	1	0	352.442	1.760	20	30		FDEDRO
Cc1cnc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(C#N)n1	ZINC001164833959	720334092	/nfs/dbraw/zinc/33/40/92/720334092.db2.gz	YIRXRNYYECOLHU-MSOLQXFVSA-N	1	0	368.485	1.568	20	30		FDEDRO
C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc3c(cc2C#N)COCC3)C1	ZINC001164734845	720530624	/nfs/dbraw/zinc/53/06/24/720530624.db2.gz	RZFFFESVFAIORF-AWEZNQCLSA-N	1	0	352.442	1.420	20	30		FDEDRO
C=CCOc1cc(C)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1	ZINC001164741587	720701032	/nfs/dbraw/zinc/70/10/32/720701032.db2.gz	UGSOKQYULBWILY-JKSUJKDBSA-N	1	0	368.441	1.482	20	30		FDEDRO
N#CCc1cnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c(Cl)c1	ZINC001164748813	720795692	/nfs/dbraw/zinc/79/56/92/720795692.db2.gz	RNGLPZVHQAMIBP-CABCVRRESA-N	1	0	370.844	1.933	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3ccc4c(C#N)c[nH]c4n3)CC[C@@H]2C1	ZINC001164851531	720860384	/nfs/dbraw/zinc/86/03/84/720860384.db2.gz	ANDFXOUJAGNOJT-RHSMWYFYSA-N	1	0	355.442	1.608	20	30		FDEDRO
Cc1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc(C#N)n1	ZINC001164865967	721098582	/nfs/dbraw/zinc/09/85/82/721098582.db2.gz	QNPTYFPXUGENKS-IAGOWNOFSA-N	1	0	350.426	1.531	20	30		FDEDRO
Cc1nc(C#N)cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1	ZINC001164866495	721186658	/nfs/dbraw/zinc/18/66/58/721186658.db2.gz	BKTLPVOLDPRGMI-ZWKOTPCHSA-N	1	0	350.426	1.531	20	30		FDEDRO
CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc3c(C#N)c[nH]c3n2)CC1	ZINC001165010618	721739308	/nfs/dbraw/zinc/73/93/08/721739308.db2.gz	HDVPILQHRBQJHQ-UHFFFAOYSA-N	1	0	366.469	1.958	20	30		FDEDRO
COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC[C@H]([NH+](C)C)C1	ZINC001165034330	721896359	/nfs/dbraw/zinc/89/63/59/721896359.db2.gz	CKPLGRMOGUKGGJ-KBPBESRZSA-N	1	0	353.426	1.940	20	30		FDEDRO
C[NH+](C)CCOCc1ncn2c1CN(c1cc(CC#N)ccn1)CCC2	ZINC001165002848	722255209	/nfs/dbraw/zinc/25/52/09/722255209.db2.gz	UJTFCSACUVWTQB-UHFFFAOYSA-N	1	0	354.458	1.833	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NCc3ccc(C[NH3+])cc3)CC2)cn1	ZINC000892209236	782220544	/nfs/dbraw/zinc/22/05/44/782220544.db2.gz	COTKXXQOLYPBRB-UHFFFAOYSA-N	1	0	350.426	1.444	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087203818	782239141	/nfs/dbraw/zinc/23/91/41/782239141.db2.gz	SIWZYWRTDHTQLQ-AYOQOUSVSA-N	1	0	368.481	1.896	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)COC4CCCC4)[C@@H]3C2)C1=O	ZINC001075575274	805611334	/nfs/dbraw/zinc/61/13/34/805611334.db2.gz	VCDIBBPLCMASAC-CGTJXYLNSA-N	1	0	361.486	1.265	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@]23CCC[C@H]2OCC3)C[C@H]1C	ZINC001104409926	782566574	/nfs/dbraw/zinc/56/65/74/782566574.db2.gz	JKGKPLAKFDPUJU-VIPLHTEESA-N	1	0	363.502	1.322	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21	ZINC001022717592	782567083	/nfs/dbraw/zinc/56/70/83/782567083.db2.gz	FMBCFRWTDLYMGD-GRDNDAEWSA-N	1	0	355.442	1.044	20	30		FDEDRO
COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)cc1C#N	ZINC001022719079	782582406	/nfs/dbraw/zinc/58/24/06/782582406.db2.gz	GUVUZYBKQINLOI-VVLHAWIVSA-N	1	0	370.453	1.028	20	30		FDEDRO
C[NH+]1CCC(CNc2cc(C#N)ccc2[N+](=O)[O-])(N2CCOCC2)CC1	ZINC000413476563	782678752	/nfs/dbraw/zinc/67/87/52/782678752.db2.gz	FJVVTQQTIIHPOM-UHFFFAOYSA-N	1	0	359.430	1.675	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCC23CCC[NH+]2CCC3)c1	ZINC000684847473	782696746	/nfs/dbraw/zinc/69/67/46/782696746.db2.gz	KNTURWGQRQYZMI-UHFFFAOYSA-N	1	0	363.483	1.509	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C3CCOCC3)C2)C1=O	ZINC001020386377	768836080	/nfs/dbraw/zinc/83/60/80/768836080.db2.gz	QDCFMGRNGQURDJ-NNPSNHGLSA-N	1	0	361.486	1.073	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1ncc3cc(C)cnc31)C2	ZINC001112472696	769403888	/nfs/dbraw/zinc/40/38/88/769403888.db2.gz	FAFWFXDSBIWCLF-RXVVDRJESA-N	1	0	365.481	1.981	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)c1	ZINC001020423090	769407357	/nfs/dbraw/zinc/40/73/57/769407357.db2.gz	QQSFTWKZZDKTGC-VPAKFMSCSA-N	1	0	355.438	1.347	20	30		FDEDRO
C#CCN(CC#CC)C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1	ZINC000784926282	769694584	/nfs/dbraw/zinc/69/45/84/769694584.db2.gz	UBWCNNBMUVYONH-UHFFFAOYSA-N	1	0	351.450	1.749	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ncc(Cl)s2)C[C@H]1C	ZINC001104412120	782791106	/nfs/dbraw/zinc/79/11/06/782791106.db2.gz	ZJIZVKJMGPWOKR-VXGBXAGGSA-N	1	0	368.890	1.234	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCO[C@@H]3C[N@H+](CCC[C@H]4CCOC4)C[C@@H]32)c1	ZINC001083188256	769982356	/nfs/dbraw/zinc/98/23/56/769982356.db2.gz	LSXWGAXOBIFXNX-YSIASYRMSA-N	1	0	369.465	1.405	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C2)cc1	ZINC000969390505	770061873	/nfs/dbraw/zinc/06/18/73/770061873.db2.gz	KEHNXHWAZYOYMI-KURKYZTESA-N	1	0	370.453	1.062	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)CC(F)F)C2	ZINC001112477387	770088459	/nfs/dbraw/zinc/08/84/59/770088459.db2.gz	DHFWGCTWIMQWSH-DEYYWGMASA-N	1	0	355.429	1.245	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccn3ccnc3c2)C[C@H]1C	ZINC001104412755	782805591	/nfs/dbraw/zinc/80/55/91/782805591.db2.gz	KXIHSTQXCDEDNP-NVXWUHKLSA-N	1	0	369.469	1.324	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3nncn3CC1)C2	ZINC001112478136	770146358	/nfs/dbraw/zinc/14/63/58/770146358.db2.gz	WLOWXJPQNVDLMC-UWVAXJGDSA-N	1	0	355.486	1.472	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C(=O)N(C)C)c2)C1	ZINC001022737598	782812075	/nfs/dbraw/zinc/81/20/75/782812075.db2.gz	FJAMOASXJPIGKE-HCXYKTFWSA-N	1	0	371.481	1.716	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cccc3nccn32)C[C@H]1C	ZINC001104414471	782843034	/nfs/dbraw/zinc/84/30/34/782843034.db2.gz	YEULGFLTBRJMQG-IAGOWNOFSA-N	1	0	354.454	1.672	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NC1CC[NH+](CCCOC)CC1	ZINC000274811253	770754181	/nfs/dbraw/zinc/75/41/81/770754181.db2.gz	PADHFDCNXHSEFH-UHFFFAOYSA-N	1	0	373.453	1.254	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1	ZINC001020589773	770908598	/nfs/dbraw/zinc/90/85/98/770908598.db2.gz	BXRZPNLPNDXYAS-UOVPBQLFSA-N	1	0	370.453	1.050	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1	ZINC000277622439	782883509	/nfs/dbraw/zinc/88/35/09/782883509.db2.gz	ALJYXJDUYMXJSE-UHFFFAOYSA-N	1	0	368.485	1.659	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C(=O)NC)c2)C1	ZINC001020605577	770988118	/nfs/dbraw/zinc/98/81/18/770988118.db2.gz	OCOZZUZLUFLLRY-TVFCKZIOSA-N	1	0	357.454	1.374	20	30		FDEDRO
C[NH2+]Cc1c(C)nn(-c2nccnc2[C@H](C#N)C(=O)OC(C)(C)C)c1C	ZINC001167099174	771163600	/nfs/dbraw/zinc/16/36/00/771163600.db2.gz	UYAQUCKPVNKXFP-ZDUSSCGKSA-N	1	0	356.430	1.947	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1	ZINC000970072674	771298622	/nfs/dbraw/zinc/29/86/22/771298622.db2.gz	WNMFROKSRPXPQP-GJYPPUQNSA-N	1	0	351.491	1.009	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)N2CCCCC2)C1	ZINC001020726340	771303867	/nfs/dbraw/zinc/30/38/67/771303867.db2.gz	GIOFYYVZOZHQMK-DZVNLGKHSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(OC)ns2)C1	ZINC001020726764	771304414	/nfs/dbraw/zinc/30/44/14/771304414.db2.gz	WGSKIPHXFDFNJE-DUPGQFARSA-N	1	0	351.472	1.870	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ncc3ccccn32)C[C@H]1C	ZINC001104415538	782914117	/nfs/dbraw/zinc/91/41/17/782914117.db2.gz	XCJVOJOUZCYCHL-HZPDHXFCSA-N	1	0	369.469	1.324	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(N4CCCC4)nn3)[C@H]2C1	ZINC001083245217	782914630	/nfs/dbraw/zinc/91/46/30/782914630.db2.gz	FGEFFKJKTNNKKK-ZWKOTPCHSA-N	1	0	371.485	1.568	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104236354	771461696	/nfs/dbraw/zinc/46/16/96/771461696.db2.gz	WGGFAQNVBZUJQL-TZMCWYRMSA-N	1	0	354.882	1.479	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)C4CCCC4)[C@@H]3C2)CC1	ZINC001020899067	771506910	/nfs/dbraw/zinc/50/69/10/771506910.db2.gz	BPNASVHIKFFQGW-RBUKOAKNSA-N	1	0	357.498	1.581	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(C)nc(C)c2)C[C@H]1C	ZINC001104241315	771645401	/nfs/dbraw/zinc/64/54/01/771645401.db2.gz	WQERFNJUHGMSMC-RHSMWYFYSA-N	1	0	356.470	1.136	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CCN1CC[C@@H]([NH+]2CCCCC2)C1	ZINC000528377057	771747524	/nfs/dbraw/zinc/74/75/24/771747524.db2.gz	CYRBHORGMBEIEW-QGZVFWFLSA-N	1	0	351.450	1.846	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](O)CN2CCCC2=O)C1	ZINC001104245540	771771801	/nfs/dbraw/zinc/77/18/01/771771801.db2.gz	OIJNQOKZKOKFTD-KURKYZTESA-N	1	0	365.518	1.400	20	30		FDEDRO
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(c3nc(Cl)c(F)cc3C#N)C[C@H]1C2	ZINC001167229047	771773913	/nfs/dbraw/zinc/77/39/13/771773913.db2.gz	OCYMRWSYPXDQJP-DRAKQNMHSA-N	1	0	364.808	1.581	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCOCC2)C1	ZINC001104245760	771778441	/nfs/dbraw/zinc/77/84/41/771778441.db2.gz	ZHCHUVWBOWBCKU-IAGOWNOFSA-N	1	0	351.491	1.276	20	30		FDEDRO
N#Cc1cccc(C[NH2+]CC2(CCNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)c1	ZINC001167242890	771795011	/nfs/dbraw/zinc/79/50/11/771795011.db2.gz	IZWLCEZCLAQXHB-MSOLQXFVSA-N	1	0	368.481	1.836	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCCC1(C[NH2+]Cc2ccccc2C#N)CC1	ZINC001167243257	771795988	/nfs/dbraw/zinc/79/59/88/771795988.db2.gz	MVAVAIFLRPEBFB-ZWKOTPCHSA-N	1	0	368.481	1.659	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]Cc2ncnn2CCC)CC1	ZINC001167274384	771850312	/nfs/dbraw/zinc/85/03/12/771850312.db2.gz	PHYNFSVOOCUBGY-CVEARBPZSA-N	1	0	361.490	1.655	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1C[C@H]1C1CC1)C2	ZINC001112480993	771853373	/nfs/dbraw/zinc/85/33/73/771853373.db2.gz	ASKMJFHNTPHYBI-NTLWEQJWSA-N	1	0	357.498	1.390	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1	ZINC001112512424	782972868	/nfs/dbraw/zinc/97/28/68/782972868.db2.gz	BNENXCQKZBYPAQ-WMZOPIPTSA-N	1	0	354.516	1.443	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1	ZINC000970220550	772129753	/nfs/dbraw/zinc/12/97/53/772129753.db2.gz	DCTIKIUBUPXIST-QYZOEREBSA-N	1	0	371.481	1.847	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1)OCC	ZINC001104255305	772415168	/nfs/dbraw/zinc/41/51/68/772415168.db2.gz	CKWZIVVJNYROKQ-ZACQAIPSSA-N	1	0	364.490	1.072	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2cccnc2)CC1	ZINC001167295485	772427370	/nfs/dbraw/zinc/42/73/70/772427370.db2.gz	JRWATUOWWCFWAX-BPQIPLTHSA-N	1	0	370.497	1.752	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ncnn2C)C1)OCC	ZINC001104255426	772441634	/nfs/dbraw/zinc/44/16/34/772441634.db2.gz	QWSNFRXTVQOZJL-ZACQAIPSSA-N	1	0	363.506	1.761	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1	ZINC001021239824	772598732	/nfs/dbraw/zinc/59/87/32/772598732.db2.gz	DHRQLUXDDDNBLL-XYJFISCASA-N	1	0	356.470	1.441	20	30		FDEDRO
C[C@H](CNC(=O)[C@H]1CN(C)C[C@@H](C)O1)CNc1nc(C#N)c(Cl)s1	ZINC001104269716	772662675	/nfs/dbraw/zinc/66/26/75/772662675.db2.gz	DQPSVJWZORWSCU-CKYFFXLPSA-N	1	0	371.894	1.551	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cccn1	ZINC001021260648	772673681	/nfs/dbraw/zinc/67/36/81/772673681.db2.gz	YAFVQQJMTKPTSI-TZOQOTQKSA-N	1	0	358.486	1.976	20	30		FDEDRO
COC(=O)[C@H]1CN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC[N@H+](C)C1	ZINC000413391847	772701845	/nfs/dbraw/zinc/70/18/45/772701845.db2.gz	BRJCUPARWIPTMB-SJORKVTESA-N	1	0	358.442	1.778	20	30		FDEDRO
COC(=O)[C@H]1CN(C(=O)N[C@H](CCC#N)c2ccccc2)CC[N@H+](C)C1	ZINC000413391845	772702003	/nfs/dbraw/zinc/70/20/03/772702003.db2.gz	BRJCUPARWIPTMB-IAGOWNOFSA-N	1	0	358.442	1.778	20	30		FDEDRO
[NH3+]C[C@H](NC(=O)N1CCN(CC(F)(F)C(F)F)CC1)C(F)(F)F	ZINC000655917901	772955237	/nfs/dbraw/zinc/95/52/37/772955237.db2.gz	YYAFDQCRUMALAH-ZETCQYMHSA-N	1	0	354.270	1.104	20	30		FDEDRO
C[NH+]1CCN(Cc2ccc(C(=O)NCC#C[C@H]3CCCCO3)cc2)CC1	ZINC000891127204	773343281	/nfs/dbraw/zinc/34/32/81/773343281.db2.gz	SSTKHMXMTNUOSB-HXUWFJFHSA-N	1	0	355.482	1.736	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cc(C(F)F)n(C)n2)C[C@H]1C	ZINC001104420268	783096167	/nfs/dbraw/zinc/09/61/67/783096167.db2.gz	GOOTVVGNLYKMSB-ZIAGYGMSSA-N	1	0	368.428	1.695	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N(C)C[C@@H](C)C#N)cc2)CC1	ZINC000275736194	773450201	/nfs/dbraw/zinc/45/02/01/773450201.db2.gz	VNSYDVRATMMIAM-INIZCTEOSA-N	1	0	371.485	1.381	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](CCC)S(N)(=O)=O)C2	ZINC001112492553	773698463	/nfs/dbraw/zinc/69/84/63/773698463.db2.gz	BNRLHXRJMMPGTM-UXLLHSPISA-N	1	0	357.520	1.238	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCn2cncn2)C1	ZINC001104294046	773876975	/nfs/dbraw/zinc/87/69/75/773876975.db2.gz	STRJNMKENHQKNJ-IAGOWNOFSA-N	1	0	356.474	1.654	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCS(C)(=O)=O)C1	ZINC001211551210	783136299	/nfs/dbraw/zinc/13/62/99/783136299.db2.gz	CQYSKMFVWGMPAP-DLBZAZTESA-N	1	0	350.484	1.581	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnc3nccnc3c2)C[C@H]1C	ZINC001104299868	774121851	/nfs/dbraw/zinc/12/18/51/774121851.db2.gz	VAGJNEGIWNOECH-HZPDHXFCSA-N	1	0	367.453	1.362	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc3c(=O)[nH]c(C)cn3n1)C2	ZINC001112495982	774328095	/nfs/dbraw/zinc/32/80/95/774328095.db2.gz	BFDVGINEZJLDES-YWZLYKJASA-N	1	0	367.453	1.186	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc3c(=O)[nH]c(C)cn3n1)C2	ZINC001112496008	774328458	/nfs/dbraw/zinc/32/84/58/774328458.db2.gz	DDGSMTVQDFXBCW-YWZLYKJASA-N	1	0	367.453	1.186	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ocnc2C)C1	ZINC001104305949	774436682	/nfs/dbraw/zinc/43/66/82/774436682.db2.gz	BPZDBXLWOHQXCR-NXHRZFHOSA-N	1	0	358.486	1.655	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nncs2)C1	ZINC001104306071	774439453	/nfs/dbraw/zinc/43/94/53/774439453.db2.gz	JFXWJTOTWCJFIB-OAGGEKHMSA-N	1	0	361.515	1.210	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21	ZINC000275918663	774513623	/nfs/dbraw/zinc/51/36/23/774513623.db2.gz	IVROITDAQTYHGF-PBHICJAKSA-N	1	0	373.428	1.719	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(=O)N(C)C)CC1	ZINC001167422699	774565366	/nfs/dbraw/zinc/56/53/66/774565366.db2.gz	XRUQXMGDJINLAR-RDJZCZTQSA-N	1	0	351.491	1.322	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(=O)NC(C)C)CC1	ZINC001167422724	774565611	/nfs/dbraw/zinc/56/56/11/774565611.db2.gz	YXJJOAMVMWKSND-WMZOPIPTSA-N	1	0	365.518	1.758	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)cc1	ZINC001021710572	774742922	/nfs/dbraw/zinc/74/29/22/774742922.db2.gz	OPLBBKVDONPXAU-RBUKOAKNSA-N	1	0	351.450	1.437	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21	ZINC000275987905	774861142	/nfs/dbraw/zinc/86/11/42/774861142.db2.gz	QANRDYQAJSIMON-GDBMZVCRSA-N	1	0	356.426	1.448	20	30		FDEDRO
C[NH+]=C(NCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1)NC1CC1	ZINC000261697437	774861685	/nfs/dbraw/zinc/86/16/85/774861685.db2.gz	CAMGCNBHWHUQID-IBGZPJMESA-N	1	0	355.442	1.739	20	30		FDEDRO
C=CCN(C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)C1CC1	ZINC000275997849	774947440	/nfs/dbraw/zinc/94/74/40/774947440.db2.gz	GBYRKQJYDSVHBQ-UHFFFAOYSA-N	1	0	372.425	1.272	20	30		FDEDRO
C#CC[NH2+]CC1(CCNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1	ZINC001167437833	774948122	/nfs/dbraw/zinc/94/81/22/774948122.db2.gz	HJUHONXLEAYANG-FUHWJXTLSA-N	1	0	354.454	1.110	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C4CCCCC4)[C@@H]3C2)CC1	ZINC000971151539	775039478	/nfs/dbraw/zinc/03/94/78/775039478.db2.gz	RJAHRJURVJOFQB-WOJBJXKFSA-N	1	0	371.525	1.971	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4C4CC4)[C@@H]3C2)CC1	ZINC001021785207	775439141	/nfs/dbraw/zinc/43/91/41/775439141.db2.gz	QNHZQCRKLGFBMZ-VNTMZGSJSA-N	1	0	369.509	1.437	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC=CCCC2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104344467	775993597	/nfs/dbraw/zinc/99/35/97/775993597.db2.gz	YHRFIGCONDSKES-KZNAEPCWSA-N	1	0	360.502	1.837	20	30		FDEDRO
C=C[C@@H](C(=O)N1CCO[C@@H]2CN(Cc3cncn3C)C[C@@H]21)c1ccccc1	ZINC001083282078	790445292	/nfs/dbraw/zinc/44/52/92/790445292.db2.gz	NDLRAIIZQKDPFK-HSALFYBXSA-N	1	0	366.465	1.802	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@H]4C[C@H]5C[C@H]5C4)C[C@H]32)CC1	ZINC001021884214	776498293	/nfs/dbraw/zinc/49/82/93/776498293.db2.gz	UNMJGEAFLGTZJG-CENDIDJXSA-N	1	0	369.509	1.437	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@H](C)SC)[C@@H]3C2)CC1	ZINC000971418135	776536110	/nfs/dbraw/zinc/53/61/10/776536110.db2.gz	CLDCLACUMLPTAI-USXIJHARSA-N	1	0	363.527	1.142	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)C=C)C[C@H]1c1ccccc1	ZINC001211648735	790471769	/nfs/dbraw/zinc/47/17/69/790471769.db2.gz	JWKSUABOVGSZJT-YTQUADARSA-N	1	0	367.493	1.921	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]21	ZINC001021939706	776752123	/nfs/dbraw/zinc/75/21/23/776752123.db2.gz	PYCQQDLYQKTMJL-SFNKJDCFSA-N	1	0	370.497	1.687	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CCNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000892712373	790492187	/nfs/dbraw/zinc/49/21/87/790492187.db2.gz	MYQQAXLSXVIOIO-OAHLLOKOSA-N	1	0	356.474	1.706	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CS(=O)(=O)CCOC)C[C@H]1C	ZINC001104356538	776994037	/nfs/dbraw/zinc/99/40/37/776994037.db2.gz	GJNRMKMZAYOKJM-HZPDHXFCSA-N	1	0	360.520	1.088	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)CCC1	ZINC000933302544	777062131	/nfs/dbraw/zinc/06/21/31/777062131.db2.gz	HVPLZVJLYSCKMA-AWEZNQCLSA-N	1	0	364.471	1.025	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC2CC2)C[C@H]1c1ccccc1	ZINC001211515614	777069022	/nfs/dbraw/zinc/06/90/22/777069022.db2.gz	YNECBVPFIQHWQM-AYOQOUSVSA-N	1	0	353.466	1.509	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnc3ccccn3c2=O)C[C@H]1C	ZINC001104358760	777083949	/nfs/dbraw/zinc/08/39/49/777083949.db2.gz	KUVRMYXDTGYLPG-HZPDHXFCSA-N	1	0	352.438	1.406	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)/C=C(/C)C4CC4)[C@@H]3C2)CC1	ZINC000971463875	777159749	/nfs/dbraw/zinc/15/97/49/777159749.db2.gz	QEWJYJQWJANDDP-KULRYTOVSA-N	1	0	369.509	1.747	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H]2CCNC2=O)C1	ZINC001075421946	777225223	/nfs/dbraw/zinc/22/52/23/777225223.db2.gz	BKTAMASAKHGDRW-BHIYHBOVSA-N	1	0	371.456	1.507	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cc(C)[nH]c2C)C[C@H]1C	ZINC001104735652	790522332	/nfs/dbraw/zinc/52/23/32/790522332.db2.gz	UXEPVIPQRDTCDX-XOKHGSTOSA-N	1	0	358.486	1.457	20	30		FDEDRO
Cc1c(C(=O)N2CC[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)ccc2c[nH+]cn21	ZINC001022058009	777588005	/nfs/dbraw/zinc/58/80/05/777588005.db2.gz	KJBFKJVKUACDLX-QFBILLFUSA-N	1	0	362.433	1.729	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCn3nccc32)C[C@H]1C	ZINC001104364799	777742154	/nfs/dbraw/zinc/74/21/54/777742154.db2.gz	GHQNRFYGMPQUNC-KZNAEPCWSA-N	1	0	358.486	1.485	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2nnc[nH]2)C1	ZINC001075423081	777831065	/nfs/dbraw/zinc/83/10/65/777831065.db2.gz	HNKAYWSLYHHSRU-NVXWUHKLSA-N	1	0	355.417	1.803	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(F)ccc3C#N)C2)C1	ZINC001022098900	777904195	/nfs/dbraw/zinc/90/41/95/777904195.db2.gz	UEBOALYXKRFAEF-KLWIRTJPSA-N	1	0	358.417	1.349	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ncccc2CC)C[C@H]1C	ZINC001104370716	778235226	/nfs/dbraw/zinc/23/52/26/778235226.db2.gz	AOLFGGKPBXQQDT-JFIYKMOQSA-N	1	0	370.497	1.470	20	30		FDEDRO
C=C(CN1C(=O)N[C@]2(CC[N@H+](Cc3ccccc3)C2)C1=O)C(=O)OCC	ZINC000276589871	778301927	/nfs/dbraw/zinc/30/19/27/778301927.db2.gz	JLPQDVRJNJXDFZ-IBGZPJMESA-N	1	0	357.410	1.302	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1	ZINC001022216945	778682741	/nfs/dbraw/zinc/68/27/41/778682741.db2.gz	CSAFXYWTGJNYEV-LSDHHAIUSA-N	1	0	365.905	1.920	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)C[N@H+]4CCC[C@H]4C)C[C@H]32)cn1	ZINC001022294305	779192106	/nfs/dbraw/zinc/19/21/06/779192106.db2.gz	BFTAFAZUFYFPQQ-HHXXYDBFSA-N	1	0	366.465	1.220	20	30		FDEDRO
CN(C(=O)NC[C@@H]1COCCO1)C1CC[NH+](CCc2ccccn2)CC1	ZINC000328883513	779237166	/nfs/dbraw/zinc/23/71/66/779237166.db2.gz	XWZFUPMKCLMONJ-GOSISDBHSA-N	1	0	362.474	1.350	20	30		FDEDRO
CCC(CC)[C@H](CNC(=O)NCc1nc(C#N)cs1)[NH+]1CCOCC1	ZINC000891745015	779242541	/nfs/dbraw/zinc/24/25/41/779242541.db2.gz	DHEUJBDFTMZWHE-HNNXBMFYSA-N	1	0	365.503	1.951	20	30		FDEDRO
CCN(C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CC[NH2+]C1	ZINC000891764709	779303742	/nfs/dbraw/zinc/30/37/42/779303742.db2.gz	LCPNMZFNSIHBIP-SJORKVTESA-N	1	0	355.442	1.447	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)Nc2cccc(C(=O)N3CCOCC3)c2C)N(C)C1	ZINC000328916376	779342984	/nfs/dbraw/zinc/34/29/84/779342984.db2.gz	ALBYPINLSUUTMH-YOEHRIQHSA-N	1	0	361.442	1.775	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CNC(=O)NCc2nc(C#N)cs2)cc1	ZINC000891816446	779571007	/nfs/dbraw/zinc/57/10/07/779571007.db2.gz	XMETWDFFVNAAEM-UHFFFAOYSA-N	1	0	359.455	1.955	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccccc2COC)C[C@H]1C	ZINC001104384000	779714582	/nfs/dbraw/zinc/71/45/82/779714582.db2.gz	OMEBUTLCYOCSGC-IAGOWNOFSA-N	1	0	371.481	1.270	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cn3cccnc3n2)C[C@H]1C	ZINC001104385008	779716553	/nfs/dbraw/zinc/71/65/53/779716553.db2.gz	VMPANOQVHJBCPB-HZPDHXFCSA-N	1	0	357.458	1.620	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)CC1	ZINC000971851391	779987070	/nfs/dbraw/zinc/98/70/70/779987070.db2.gz	OUQBAJSDAFYMHN-CRAIPNDOSA-N	1	0	369.469	1.291	20	30		FDEDRO
C[NH+]1CCN(C[C@H](NC(=O)N2CCO[C@@](C)(C#N)C2)c2ccccc2)CC1	ZINC000892720685	790776442	/nfs/dbraw/zinc/77/64/42/790776442.db2.gz	FAFGHCDXXKQTSL-ICSRJNTNSA-N	1	0	371.485	1.299	20	30		FDEDRO
CC(C)[NH+]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000276951344	780285527	/nfs/dbraw/zinc/28/55/27/780285527.db2.gz	VZYABOJGZQFWJK-SFHVURJKSA-N	1	0	369.469	1.395	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCC3=CC[N@H+](C)CC3)C2)n1	ZINC000376834763	790775471	/nfs/dbraw/zinc/77/54/71/790775471.db2.gz	ZVOMNVIFSRVNEO-GOSISDBHSA-N	1	0	353.470	1.856	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1	ZINC001022475688	780547633	/nfs/dbraw/zinc/54/76/33/780547633.db2.gz	GARWSASAIACRTO-QXCZDIPSSA-N	1	0	355.438	1.347	20	30		FDEDRO
N#Cc1ncccc1S(=O)(=O)NC1CC[NH+](CCc2ccccc2)CC1	ZINC000276993072	780619766	/nfs/dbraw/zinc/61/97/66/780619766.db2.gz	IUFNWTSSOGVIOZ-UHFFFAOYSA-N	1	0	370.478	1.939	20	30		FDEDRO
C[NH+](C)CCCOc1ccc(CNS(=O)(=O)c2cccnc2C#N)cc1	ZINC000277079131	780739283	/nfs/dbraw/zinc/73/92/83/780739283.db2.gz	UGKRDDBLQIJVLW-UHFFFAOYSA-N	1	0	374.466	1.762	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C[C@H]1c1ccccc1	ZINC001211649238	790822397	/nfs/dbraw/zinc/82/23/97/790822397.db2.gz	XTTXCMARXHNUQG-RYQLBKOJSA-N	1	0	359.470	1.285	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@H]2O)CC1	ZINC001025490778	790840365	/nfs/dbraw/zinc/84/03/65/790840365.db2.gz	HUQXKGRVMAOAOR-DZJNRPSUSA-N	1	0	363.502	1.151	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2C(=O)CCC2=O)C1	ZINC001112509422	781040521	/nfs/dbraw/zinc/04/05/21/781040521.db2.gz	XTEMBXLWTBKETD-YWZLYKJASA-N	1	0	361.486	1.566	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]21	ZINC001022570008	781204326	/nfs/dbraw/zinc/20/43/26/781204326.db2.gz	SNHWHBNULJBOHT-UWWQBHOKSA-N	1	0	354.454	1.581	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCCO2)C[C@H]1c1ccccc1	ZINC001211535560	781285596	/nfs/dbraw/zinc/28/55/96/781285596.db2.gz	HRMXYTHLWYFVGE-SLFFLAALSA-N	1	0	356.466	1.790	20	30		FDEDRO
COCC1(CNC(=O)N2CCN(c3ccc(C#N)cc3)CC2)CC[NH2+]CC1	ZINC000892113251	781579828	/nfs/dbraw/zinc/57/98/28/781579828.db2.gz	PQHOMOPVZCOSPE-UHFFFAOYSA-N	1	0	371.485	1.406	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCc3ccc(OC)cc32)CC1	ZINC000277379123	781619253	/nfs/dbraw/zinc/61/92/53/781619253.db2.gz	ZHXTZMONBUYBJZ-GOSISDBHSA-N	1	0	369.465	1.009	20	30		FDEDRO
C=C(Cl)CN1C[C@H]2OCCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@H]2C1	ZINC001083238520	781654250	/nfs/dbraw/zinc/65/42/50/781654250.db2.gz	JQKSZKWWPAIBCW-DLBZAZTESA-N	1	0	355.910	1.771	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2c[nH]nc2C)C1=O	ZINC001087197074	781699403	/nfs/dbraw/zinc/69/94/03/781699403.db2.gz	WBZMPDVJHOWVHJ-UKPHBRMFSA-N	1	0	359.474	1.335	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1	ZINC000924433356	783273542	/nfs/dbraw/zinc/27/35/42/783273542.db2.gz	SNUCVBVVMQRTLI-UHFFFAOYSA-N	1	0	357.498	1.977	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(OCC)no2)C[C@H]1C	ZINC001104424593	783312891	/nfs/dbraw/zinc/31/28/91/783312891.db2.gz	MUCIXEOLENOEJP-ZIAGYGMSSA-N	1	0	364.446	1.063	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCNC(=O)C2CC2)C1	ZINC001112513490	783386779	/nfs/dbraw/zinc/38/67/79/783386779.db2.gz	ABFWZDMLEDGWSU-RXVVDRJESA-N	1	0	359.514	1.925	20	30		FDEDRO
C=C(Br)CN(C)[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC000972349879	783399082	/nfs/dbraw/zinc/39/90/82/783399082.db2.gz	XQQHOKGCSCADBM-AGIUHOORSA-N	1	0	358.280	1.329	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCCC2)C1	ZINC001022827448	783508619	/nfs/dbraw/zinc/50/86/19/783508619.db2.gz	BAXWNGGKUVDPSR-ZMMAXQRCSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ccc3nonc3c2)C1	ZINC000972376058	783550521	/nfs/dbraw/zinc/55/05/21/783550521.db2.gz	WAHSXVZMECFEQR-DAYGRLMNSA-N	1	0	356.426	1.847	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CN(C(=O)NC2CCN(c3ccccc3C#N)CC2)CCO1	ZINC000892428767	783803792	/nfs/dbraw/zinc/80/37/92/783803792.db2.gz	KPBUOSBIQHWMSY-KSSFIOAISA-N	1	0	357.458	1.285	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3occc3C)C[C@H]21	ZINC000972834639	783901199	/nfs/dbraw/zinc/90/11/99/783901199.db2.gz	COJHUSVXGUNYLS-IXDOHACOSA-N	1	0	355.438	1.359	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)/C=C(/C)C3CC3)C[C@H]21	ZINC000972834865	783901886	/nfs/dbraw/zinc/90/18/86/783901886.db2.gz	GAMIAFVCAIPKGH-VPCKWLFKSA-N	1	0	355.482	1.500	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC000658488683	784169219	/nfs/dbraw/zinc/16/92/19/784169219.db2.gz	VOSZLTAUSQEMCE-LJQANCHMSA-N	1	0	371.481	1.259	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1	ZINC001024384325	784582143	/nfs/dbraw/zinc/58/21/43/784582143.db2.gz	UMJNKHYNFYVQHX-MDZRGWNJSA-N	1	0	363.502	1.153	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnc3nccn3c2)C[C@H]1c1ccccc1	ZINC001211632472	785049625	/nfs/dbraw/zinc/04/96/25/785049625.db2.gz	DOKRZAATPRGFCH-RBUKOAKNSA-N	1	0	359.433	1.950	20	30		FDEDRO
C[C@@H](CO)[N@@H+]1CCCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC1	ZINC000364936463	785235731	/nfs/dbraw/zinc/23/57/31/785235731.db2.gz	OGXJNHQDPPBCKF-INIZCTEOSA-N	1	0	372.469	1.582	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN([C@@H](C)C(=O)Nc3cccc(C#N)c3)C2)CC1	ZINC000375900274	785260906	/nfs/dbraw/zinc/26/09/06/785260906.db2.gz	GFQDYJGIPMHYRS-FXAWDEMLSA-N	1	0	369.513	1.986	20	30		FDEDRO
COc1cc(C[NH2+]CCn2cnc(C#N)n2)cc(OC)c1OCC(F)F	ZINC000290164043	785383047	/nfs/dbraw/zinc/38/30/47/785383047.db2.gz	QHHDGLTZBSGLKY-UHFFFAOYSA-N	1	0	367.356	1.601	20	30		FDEDRO
CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1	ZINC000375970132	785408905	/nfs/dbraw/zinc/40/89/05/785408905.db2.gz	UMBGBQWTUBCPRA-FUHWJXTLSA-N	1	0	367.453	1.896	20	30		FDEDRO
Cc1cc(C(=O)N[C@H](CO)C[NH+]2CCCCC2)nn1-c1cccc(C#N)c1	ZINC000413823136	785474869	/nfs/dbraw/zinc/47/48/69/785474869.db2.gz	VDILJXSFTSUTMZ-KRWDZBQOSA-N	1	0	367.453	1.629	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1	ZINC001024652605	785626655	/nfs/dbraw/zinc/62/66/55/785626655.db2.gz	QSEOGFASYNBGBP-CEXWTWQISA-N	1	0	368.481	1.753	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CCCC[C@@H]2CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)c1	ZINC001024655172	785631494	/nfs/dbraw/zinc/63/14/94/785631494.db2.gz	WBGSBACNTCMDRZ-CEXWTWQISA-N	1	0	368.481	1.931	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)Cn2nccc2C)C[C@H]1c1ccccc1	ZINC001211682438	805667522	/nfs/dbraw/zinc/66/75/22/805667522.db2.gz	ZLPWKIASHHBLDV-VQTJNVASSA-N	1	0	368.481	1.978	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(c2cc(Cl)nc(C3CCC3)n2)CC1	ZINC000892515247	786502802	/nfs/dbraw/zinc/50/28/02/786502802.db2.gz	KLZMHTSLAHVPST-UHFFFAOYSA-N	1	0	361.877	1.659	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4cn[nH]c4)[C@@H]3C2)cc1	ZINC001075575664	805734517	/nfs/dbraw/zinc/73/45/17/805734517.db2.gz	HOMMRUGKUUZAMN-MAUKXSAKSA-N	1	0	351.410	1.659	20	30		FDEDRO
C[N@@H+]1CC[C@@H](NC(=O)NCCn2cnc(C#N)n2)[C@@H]1c1ccc(F)cc1	ZINC000376249647	787004484	/nfs/dbraw/zinc/00/44/84/787004484.db2.gz	JQPRJPQEXWJRSP-ZBFHGGJFSA-N	1	0	357.393	1.033	20	30		FDEDRO
CN1CCN(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)C[C@@H]1C#N	ZINC000376322107	787285349	/nfs/dbraw/zinc/28/53/49/787285349.db2.gz	PHSPTGDBHFEQGP-IYWMVGAKSA-N	1	0	367.497	1.746	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1	ZINC000162454596	787849534	/nfs/dbraw/zinc/84/95/34/787849534.db2.gz	RLJZABVBLQJXFM-NRFANRHFSA-N	1	0	373.545	1.538	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NC)C1	ZINC001104563662	787925336	/nfs/dbraw/zinc/92/53/36/787925336.db2.gz	QIOWCQPPTNNYOQ-RBSFLKMASA-N	1	0	352.479	1.119	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccnc(-n4ccnc4)c3)[C@H]2C1	ZINC001083278786	788018547	/nfs/dbraw/zinc/01/85/47/788018547.db2.gz	QOHFJLSFQCOEKF-ZWKOTPCHSA-N	1	0	367.453	1.759	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1	ZINC000978867242	805852970	/nfs/dbraw/zinc/85/29/70/805852970.db2.gz	RCOQBYJABBZUQJ-AVEIZBFRSA-N	1	0	363.502	1.320	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CNC(=O)c2cc(C)oc2C)C1	ZINC001111986942	788218035	/nfs/dbraw/zinc/21/80/35/788218035.db2.gz	IHFBUQZQIYHQEZ-JXFKEZNVSA-N	1	0	357.454	1.620	20	30		FDEDRO
COC(=O)[C@@H]1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC[N@H+](C)C1	ZINC000414418188	788253715	/nfs/dbraw/zinc/25/37/15/788253715.db2.gz	YVABUPUAHDGDSE-AWEZNQCLSA-N	1	0	361.446	1.683	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1CC[NH2+]Cc1ccccc1C#N	ZINC001104594625	788785207	/nfs/dbraw/zinc/78/52/07/788785207.db2.gz	MDRWQHWGZHGIBD-RHSMWYFYSA-N	1	0	365.437	1.530	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2n[nH]nc2C)C[C@H]1c1ccccc1	ZINC001211645209	788861974	/nfs/dbraw/zinc/86/19/74/788861974.db2.gz	VYVGLIWFXAFEEQ-DLBZAZTESA-N	1	0	355.442	1.514	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C2)CC1	ZINC001104631744	789059471	/nfs/dbraw/zinc/05/94/71/789059471.db2.gz	ZHINRTFXSYPLNR-ZIAGYGMSSA-N	1	0	350.463	1.002	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC3CC3)C2)c1	ZINC001104659649	789181623	/nfs/dbraw/zinc/18/16/23/789181623.db2.gz	RIVAUUGBPVIIME-CRAIPNDOSA-N	1	0	368.481	1.277	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](C)c3nnnn3C)C2)c1	ZINC001104659497	789181878	/nfs/dbraw/zinc/18/18/78/789181878.db2.gz	NFVARVAUTWXMBC-IJEWVQPXSA-N	1	0	367.457	1.035	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1C	ZINC001104689512	789429779	/nfs/dbraw/zinc/42/97/79/789429779.db2.gz	SPZJSPQAVNXERO-QLFBSQMISA-N	1	0	369.456	1.634	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3nnnn3CC2)C[C@H]1C	ZINC001104709073	789581578	/nfs/dbraw/zinc/58/15/78/789581578.db2.gz	UTFSOXYSLRZSHA-IXDOHACOSA-N	1	0	360.506	1.666	20	30		FDEDRO
C[NH+](C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)NCCn1cnc(C#N)n1	ZINC000376666773	789622281	/nfs/dbraw/zinc/62/22/81/789622281.db2.gz	LKBXMSGSNABOGL-RDJZCZTQSA-N	1	0	353.430	1.067	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCO[C@@H](C[NH3+])C2)cc1	ZINC000415014933	791201645	/nfs/dbraw/zinc/20/16/45/791201645.db2.gz	MKIVPMIMHHHZQZ-KRWDZBQOSA-N	1	0	358.442	1.692	20	30		FDEDRO
C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC000377230097	791309083	/nfs/dbraw/zinc/30/90/83/791309083.db2.gz	YPDPBXGDZLIMTJ-AABGKKOBSA-N	1	0	355.482	1.862	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4c(C)nn(C)c4n3)[C@H]2C1	ZINC001083284789	791625999	/nfs/dbraw/zinc/62/59/99/791625999.db2.gz	QCVFVDOAAGLUQK-ZWKOTPCHSA-N	1	0	369.469	1.768	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C	ZINC001104746543	791729784	/nfs/dbraw/zinc/72/97/84/791729784.db2.gz	NRGCSSYCEOZTMN-BRWVUGGUSA-N	1	0	356.532	1.852	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)NCC1CC[NH+](CCC(C)C)CC1	ZINC000783013896	791792474	/nfs/dbraw/zinc/79/24/74/791792474.db2.gz	QIJZWKHCTNNYIR-UHFFFAOYSA-N	1	0	359.536	1.645	20	30		FDEDRO
CCCc1c(NC(=O)C(=O)NC(C)(C)C[NH3+])cnn1-c1cccc(C#N)c1	ZINC000415378870	792145165	/nfs/dbraw/zinc/14/51/65/792145165.db2.gz	IKDIBYHQJVDJGQ-UHFFFAOYSA-N	1	0	368.441	1.488	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)CC[NH2+]1	ZINC000415437362	792271070	/nfs/dbraw/zinc/27/10/70/792271070.db2.gz	PFUSSHDNCJFWMH-ZDUSSCGKSA-N	1	0	365.393	1.504	20	30		FDEDRO
CCC[NH+]1CCN(C2CCN(C(=O)COc3ccccc3C#N)CC2)CC1	ZINC000377594547	792290900	/nfs/dbraw/zinc/29/09/00/792290900.db2.gz	XQMAQYAAZMHDHO-UHFFFAOYSA-N	1	0	370.497	1.956	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)N[C@H]2CCC[NH2+]C2)c(C#N)cn1CCOC	ZINC000415486640	792352441	/nfs/dbraw/zinc/35/24/41/792352441.db2.gz	JWWSTBGXUKSGFB-ZDUSSCGKSA-N	1	0	363.418	1.056	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO	ZINC000893000890	792412875	/nfs/dbraw/zinc/41/28/75/792412875.db2.gz	JSOYLRLBRFHHKY-ZWKOTPCHSA-N	1	0	357.454	1.439	20	30		FDEDRO
CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000415522907	792448745	/nfs/dbraw/zinc/44/87/45/792448745.db2.gz	XEFLCBVUJPGYAZ-UHFFFAOYSA-N	1	0	372.347	1.554	20	30		FDEDRO
CN1CCN([C@H](C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c2ccccc2)CC1	ZINC000377666561	792459865	/nfs/dbraw/zinc/45/98/65/792459865.db2.gz	DRKUKBLPPGTSCA-PMACEKPBSA-N	1	0	367.497	1.174	20	30		FDEDRO
C#CC[C@]1(C(=O)NCC[N@@H+](C)CCOC)CCCN1C(=O)OC(C)(C)C	ZINC000377679704	792500193	/nfs/dbraw/zinc/50/01/93/792500193.db2.gz	OZLSQXJAUQIOSO-LJQANCHMSA-N	1	0	367.490	1.474	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1	ZINC000415573780	792561709	/nfs/dbraw/zinc/56/17/09/792561709.db2.gz	OFOGPXYDHHPEEJ-CQSZACIVSA-N	1	0	360.462	1.434	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000415623433	792714830	/nfs/dbraw/zinc/71/48/30/792714830.db2.gz	MKGSBKZMOGOSMQ-DNVCBOLYSA-N	1	0	362.433	1.534	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N(CC[NH3+])CCc1ccccc1	ZINC000415684714	792796987	/nfs/dbraw/zinc/79/69/87/792796987.db2.gz	ACPCDESLRMQEQQ-UHFFFAOYSA-N	1	0	350.422	1.835	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1	ZINC000415716873	792864581	/nfs/dbraw/zinc/86/45/81/792864581.db2.gz	BVYVJNPXJGCJCR-LJQANCHMSA-N	1	0	356.426	1.498	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1C#N	ZINC000415738047	792902535	/nfs/dbraw/zinc/90/25/35/792902535.db2.gz	DGKCHUJMHXLHKS-UKRRQHHQSA-N	1	0	356.426	1.352	20	30		FDEDRO
CCCc1c(NC(=O)C(=O)N[C@H](C)[C@H](C)[NH3+])cnn1-c1cccc(C#N)c1	ZINC000415776590	792972707	/nfs/dbraw/zinc/97/27/07/792972707.db2.gz	AYQQMEFBGCAYAD-QWHCGFSZSA-N	1	0	368.441	1.487	20	30		FDEDRO
C[C@@H](O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1	ZINC001087425255	806214729	/nfs/dbraw/zinc/21/47/29/806214729.db2.gz	MSKWYAZYQMYOAU-NIKGAXFTSA-N	1	0	352.438	1.855	20	30		FDEDRO
C[N@H+]1C[C@H]2[C@@H](CCN2CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000644734743	793073475	/nfs/dbraw/zinc/07/34/75/793073475.db2.gz	UOCCERJFBONBJH-RDJZCZTQSA-N	1	0	365.399	1.809	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1	ZINC000415840755	793116984	/nfs/dbraw/zinc/11/69/84/793116984.db2.gz	GJGZKCQDCZMKBF-KGLIPLIRSA-N	1	0	373.457	1.376	20	30		FDEDRO
O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N[C@H]1CCCC[NH2+]C1	ZINC000415861258	793203004	/nfs/dbraw/zinc/20/30/04/793203004.db2.gz	DGHUDVVWXIVYKL-IBGZPJMESA-N	1	0	362.433	1.678	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@H]21	ZINC001026096227	793284639	/nfs/dbraw/zinc/28/46/39/793284639.db2.gz	ZMQMIJJYYDUXBK-SOMFZHDCSA-N	1	0	361.486	1.025	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H]3C(=O)Nc4ccccc43)[C@H]2C1	ZINC001083290019	793307883	/nfs/dbraw/zinc/30/78/83/793307883.db2.gz	CTSCMHVJDWTMQY-BPQIPLTHSA-N	1	0	355.438	1.600	20	30		FDEDRO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCOC2(C[NH2+]C2)C1	ZINC000415894784	793335092	/nfs/dbraw/zinc/33/50/92/793335092.db2.gz	PDRDZVSBGJIVFH-ZDUSSCGKSA-N	1	0	374.466	1.220	20	30		FDEDRO
C=CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc(C)nc2)C[C@H]1C(F)(F)F	ZINC001112046695	793529814	/nfs/dbraw/zinc/52/98/14/793529814.db2.gz	KQGRZCGUIPXVCA-ZIAGYGMSSA-N	1	0	370.375	1.285	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC)C2)cc1	ZINC001104767738	793550266	/nfs/dbraw/zinc/55/02/66/793550266.db2.gz	CPIBETSEQPWGEK-SJLPKXTDSA-N	1	0	371.481	1.523	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC000378128140	793550494	/nfs/dbraw/zinc/55/04/94/793550494.db2.gz	SSTNVSGFZJCVBF-OWCLPIDISA-N	1	0	369.473	1.195	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nocc3C)C2)nn1	ZINC001104769139	793554733	/nfs/dbraw/zinc/55/47/33/793554733.db2.gz	FZRPKUQPRJZJLG-UKRRQHHQSA-N	1	0	358.446	1.649	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nccc(C)n3)C2)nn1	ZINC001104769441	793556511	/nfs/dbraw/zinc/55/65/11/793556511.db2.gz	VVMFBIWMSOALIH-GDBMZVCRSA-N	1	0	369.473	1.451	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)Cc2ccco2)C[C@H]1C	ZINC001104782511	793632054	/nfs/dbraw/zinc/63/20/54/793632054.db2.gz	FXJLATJUWPLTPG-BRWVUGGUSA-N	1	0	361.486	1.835	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1CC[NH2+]CC#Cc1ccc(F)cc1	ZINC001104791222	793688737	/nfs/dbraw/zinc/68/87/37/793688737.db2.gz	SICTUOIJTGJSNS-NVXWUHKLSA-N	1	0	369.444	1.694	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1C#N	ZINC000378206227	793708466	/nfs/dbraw/zinc/70/84/66/793708466.db2.gz	YNXBSSSHVVTHEM-QGZVFWFLSA-N	1	0	370.453	1.981	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)Cn2ncc3ccccc32)C[C@H]1C	ZINC001104803935	793768433	/nfs/dbraw/zinc/76/84/33/793768433.db2.gz	ACUQRKQMLPKNQP-IEBWSBKVSA-N	1	0	368.481	1.760	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C[C@H]1C	ZINC001104827839	793946599	/nfs/dbraw/zinc/94/65/99/793946599.db2.gz	IKNWBHDMYOTJMC-ZWNOBZJWSA-N	1	0	368.865	1.565	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC[C@H]2CCCOC2)C[C@H]1C	ZINC001104850820	794061432	/nfs/dbraw/zinc/06/14/32/794061432.db2.gz	NHEYYZUBALTPLV-KZNAEPCWSA-N	1	0	365.518	1.570	20	30		FDEDRO
CC(C)c1oncc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104863801	794121547	/nfs/dbraw/zinc/12/15/47/794121547.db2.gz	JLBNTBIHSJXGFU-ZIAGYGMSSA-N	1	0	361.446	1.126	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C	ZINC001104879448	794194843	/nfs/dbraw/zinc/19/48/43/794194843.db2.gz	KBFZALIAUZBGOW-IXDOHACOSA-N	1	0	356.532	1.852	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C[NH+](C)C)c1	ZINC000660009883	794258406	/nfs/dbraw/zinc/25/84/06/794258406.db2.gz	CLWCTZOLDPYTIU-MRXNPFEDSA-N	1	0	365.499	1.707	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H]2CCN(C(=O)c3ccncc3)C2)CC1	ZINC000363853821	794262795	/nfs/dbraw/zinc/26/27/95/794262795.db2.gz	KYYCZTKWZLWPFG-KRWDZBQOSA-N	1	0	357.458	1.246	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1C	ZINC001104898131	794285638	/nfs/dbraw/zinc/28/56/38/794285638.db2.gz	KZTIWLPCVXEXDI-RBSFLKMASA-N	1	0	369.456	1.634	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H](C)N2CCCC2=O)C[C@H]1C	ZINC001104901961	794309002	/nfs/dbraw/zinc/30/90/02/794309002.db2.gz	BATQQGFMKFBBCW-KZNAEPCWSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2c[nH]c3cccnc32)C[C@H]1C	ZINC001104912604	794357790	/nfs/dbraw/zinc/35/77/90/794357790.db2.gz	VYSJUAPMMVZNOA-HUUCEWRRSA-N	1	0	369.469	1.553	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(N(C)C)nn2)C[C@H]1C	ZINC001104917796	794368578	/nfs/dbraw/zinc/36/85/78/794368578.db2.gz	JPKHCLDZOQHQIS-TZMCWYRMSA-N	1	0	351.882	1.983	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cc(OC)no3)C2)nc1	ZINC001104925028	794423778	/nfs/dbraw/zinc/42/37/78/794423778.db2.gz	YAFAIIBHUGMHSA-GDBMZVCRSA-N	1	0	368.437	1.948	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1	ZINC001104927080	794427029	/nfs/dbraw/zinc/42/70/29/794427029.db2.gz	QUUZJXAXUIQWLZ-OLMNPRSZSA-N	1	0	354.454	1.411	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cnn(C)c2N)C1	ZINC001087426181	806335517	/nfs/dbraw/zinc/33/55/17/806335517.db2.gz	PNUPYHBISDLHBZ-SJLPKXTDSA-N	1	0	351.454	1.614	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cc(=O)n(C)o2)C1	ZINC001087426267	806336761	/nfs/dbraw/zinc/33/67/61/806336761.db2.gz	UUBLTWICVMDASE-IAGOWNOFSA-N	1	0	353.422	1.590	20	30		FDEDRO
N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O	ZINC000416677248	794526822	/nfs/dbraw/zinc/52/68/22/794526822.db2.gz	DHDUMOHOZCRSMQ-MSOLQXFVSA-N	1	0	369.469	1.575	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(C)cc(C)c2)C[C@H]1C	ZINC001104949407	794529239	/nfs/dbraw/zinc/52/92/39/794529239.db2.gz	TZDQEXQPGSWKSP-QZTJIDSGSA-N	1	0	355.482	1.741	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C[C@H]1C	ZINC001104952343	794536357	/nfs/dbraw/zinc/53/63/57/794536357.db2.gz	SAYORTVHIPTYQX-NUJGCVRESA-N	1	0	371.547	1.499	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)COCCCCCC)C[C@H]1C	ZINC001104951948	794545144	/nfs/dbraw/zinc/54/51/44/794545144.db2.gz	WPIPOBPJGBLKKS-QZTJIDSGSA-N	1	0	367.534	1.960	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(N)=O)C2)CCOCC1	ZINC001104960284	794596644	/nfs/dbraw/zinc/59/66/44/794596644.db2.gz	SILJPDOPCSARAU-OWCLPIDISA-N	1	0	351.491	1.307	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)Cc2ccc3c[nH]nc3c2)C[C@H]1C	ZINC001104965635	794614759	/nfs/dbraw/zinc/61/47/59/794614759.db2.gz	ZDZWRQJBKPYRPW-VQIMIIECSA-N	1	0	368.481	1.829	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)C[C@H]1C	ZINC001104990233	794741051	/nfs/dbraw/zinc/74/10/51/794741051.db2.gz	NIEVEYONGYZRGV-KFWWJZLASA-N	1	0	350.463	1.015	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1CC[NH2+]Cc1ccc(C#N)s1	ZINC001104986813	794743861	/nfs/dbraw/zinc/74/38/61/794743861.db2.gz	VWDMNYNPHJAZFP-ZIAGYGMSSA-N	1	0	358.471	1.486	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)n2)C[C@H]1C	ZINC001104994164	794763418	/nfs/dbraw/zinc/76/34/18/794763418.db2.gz	LATFOSZPKKLTJB-IAGOWNOFSA-N	1	0	351.454	1.978	20	30		FDEDRO
C[C@@H](Cc1ccccc1)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001105041704	795025455	/nfs/dbraw/zinc/02/54/55/795025455.db2.gz	HZENTLDZEGDYMY-YQVWRLOYSA-N	1	0	370.497	1.579	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C=C)c2ccccc2)C[C@H]1C	ZINC001105050533	795066258	/nfs/dbraw/zinc/06/62/58/795066258.db2.gz	SNRKWBNUMLBRNS-MISYRCLQSA-N	1	0	367.493	1.780	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCC(C)(C)C2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001105079085	795175841	/nfs/dbraw/zinc/17/58/41/795175841.db2.gz	KFKPJLMCBXSVHW-BRWVUGGUSA-N	1	0	362.518	1.917	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H]3CCNC3=O)C2)CCCCC1	ZINC001105084209	795188940	/nfs/dbraw/zinc/18/89/40/795188940.db2.gz	NLUYNQRUZISSBM-KURKYZTESA-N	1	0	359.514	1.923	20	30		FDEDRO
CCOCCCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001105087212	795204132	/nfs/dbraw/zinc/20/41/32/795204132.db2.gz	XQBILABMQOEHCO-IAGOWNOFSA-N	1	0	366.506	1.297	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N[C@H](C)CCC)C1	ZINC001105090165	795233741	/nfs/dbraw/zinc/23/37/41/795233741.db2.gz	LUSPDGQTRBURKA-KZNAEPCWSA-N	1	0	367.534	1.958	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C2CC2)C1	ZINC001105090237	795234434	/nfs/dbraw/zinc/23/44/34/795234434.db2.gz	NPWAKHGCZSJIHT-OWCLPIDISA-N	1	0	351.491	1.273	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCN2CCCC2=O)C1	ZINC001105090659	795236903	/nfs/dbraw/zinc/23/69/03/795236903.db2.gz	FDCJHEMAWCRVJR-KZNAEPCWSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNC(=O)NC(C)C)C1	ZINC001105090805	795237471	/nfs/dbraw/zinc/23/74/71/795237471.db2.gz	JPJXNOSLDWUKLZ-BRWVUGGUSA-N	1	0	368.522	1.359	20	30		FDEDRO
CC(C)CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001105091029	795239002	/nfs/dbraw/zinc/23/90/02/795239002.db2.gz	QIJRUECFVOAWMO-BRWVUGGUSA-N	1	0	366.506	1.152	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(CC)CC)C1	ZINC001105091323	795240329	/nfs/dbraw/zinc/24/03/29/795240329.db2.gz	ZGROHIWOQJJQPJ-BRWVUGGUSA-N	1	0	367.534	1.957	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2(CC=C)CCCC2)C[C@H]1C	ZINC001105115441	795330995	/nfs/dbraw/zinc/33/09/95/795330995.db2.gz	HURZQDVKLQKLET-QZTJIDSGSA-N	1	0	359.514	1.947	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cnc(OCC)cn2)C[C@H]1C	ZINC001105115246	795334486	/nfs/dbraw/zinc/33/44/86/795334486.db2.gz	XJFWQGLEMMZCJW-HZPDHXFCSA-N	1	0	362.474	1.766	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)NCCC[C@H]3CCC[NH2+]3)C2=O)cc1	ZINC000418012982	795461556	/nfs/dbraw/zinc/46/15/56/795461556.db2.gz	SRVGPDBWZDNKRO-AEFFLSMTSA-N	1	0	369.469	1.885	20	30		FDEDRO
C=C(Cl)CNCc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nn1	ZINC001105244080	795533986	/nfs/dbraw/zinc/53/39/86/795533986.db2.gz	PCSREIYZGVVPHA-JKSUJKDBSA-N	1	0	366.897	1.234	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C1CCC(NC(=O)[C@H]2C[C@H]2C(N)=O)CC1	ZINC001026561807	795548691	/nfs/dbraw/zinc/54/86/91/795548691.db2.gz	YAVBSVDQXZDFGM-BACDZXNISA-N	1	0	370.453	1.205	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)OC)C1	ZINC000296711842	795556926	/nfs/dbraw/zinc/55/69/26/795556926.db2.gz	BMBBGUQAIJADNE-ZWKOTPCHSA-N	1	0	373.453	1.245	20	30		FDEDRO
C=CC[NH2+]C1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1	ZINC001026575370	795574120	/nfs/dbraw/zinc/57/41/20/795574120.db2.gz	OAIKCLBWXZCVRC-BXNZUYAZSA-N	1	0	356.470	1.804	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCC([NH2+]Cc2ncnn2CC)CC1	ZINC001026575679	795575034	/nfs/dbraw/zinc/57/50/34/795575034.db2.gz	ZLSJLALFPRBBLM-OBQMCRIKSA-N	1	0	361.490	1.796	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CCC([NH2+]Cc2cn(C)nn2)CC1	ZINC001026573975	795577045	/nfs/dbraw/zinc/57/70/45/795577045.db2.gz	DSPWZQQOAOBDFQ-RLNQZENFSA-N	1	0	361.490	1.703	20	30		FDEDRO
C=CCN(C(=O)NCCC(=O)N(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000364283378	795593229	/nfs/dbraw/zinc/59/32/29/795593229.db2.gz	RRCFJADMQDWMMK-SFHVURJKSA-N	1	0	358.486	1.937	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)N(C)C)C1	ZINC001211655560	795717039	/nfs/dbraw/zinc/71/70/39/795717039.db2.gz	OFDXHZXKIPZQBI-RBUKOAKNSA-N	1	0	355.482	1.852	20	30		FDEDRO
C=C(C)CC[NH2+]Cc1cn(C2CN(C(=O)[C@]34CCC[C@H]3OCC4)C2)nn1	ZINC001105280844	795766367	/nfs/dbraw/zinc/76/63/67/795766367.db2.gz	GSPHPJXBNKPZCU-MJGOQNOKSA-N	1	0	359.474	1.676	20	30		FDEDRO
C=CCCC[NH2+]Cc1cn(C2CN(C(=O)[C@]34CCC[C@H]3OCC4)C2)nn1	ZINC001105280841	795767003	/nfs/dbraw/zinc/76/70/03/795767003.db2.gz	GMDBLMJKKGXTBS-MJGOQNOKSA-N	1	0	359.474	1.676	20	30		FDEDRO
C=CCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)C2)nn1	ZINC001105289427	795826589	/nfs/dbraw/zinc/82/65/89/795826589.db2.gz	CWEQVXREXYGTKT-IAGOWNOFSA-N	1	0	369.473	1.254	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3ncccn3n2)C[C@H]1c1ccccc1	ZINC001211692920	806453312	/nfs/dbraw/zinc/45/33/12/806453312.db2.gz	SFSDQHIJHPQVLO-PKOBYXMFSA-N	1	0	359.433	1.950	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCC2CC2)C1	ZINC001112101155	796039894	/nfs/dbraw/zinc/03/98/94/796039894.db2.gz	ZXJAYAOCPYECRL-BPLDGKMQSA-N	1	0	362.392	1.430	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1	ZINC000974531528	796275325	/nfs/dbraw/zinc/27/53/25/796275325.db2.gz	SXFYGXBCHCRRLP-BMGDILEWSA-N	1	0	354.454	1.581	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[C@H]1C(=O)N(C)C)C2	ZINC001112530188	806549668	/nfs/dbraw/zinc/54/96/68/806549668.db2.gz	HTGHSEYUQQSRGS-CLWJZODNSA-N	1	0	363.502	1.132	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000979914260	806602097	/nfs/dbraw/zinc/60/20/97/806602097.db2.gz	KMGIWHRVARLTAN-UDTPNQRGSA-N	1	0	357.498	1.389	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1	ZINC000979967822	806637635	/nfs/dbraw/zinc/63/76/35/806637635.db2.gz	ONMNSTJMZOVOOZ-SIRBJWHBSA-N	1	0	371.525	1.921	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(=O)NC)C1	ZINC001112523162	799810729	/nfs/dbraw/zinc/81/07/29/799810729.db2.gz	FXEZHTOXJOCGON-JVPBZIDWSA-N	1	0	364.490	1.263	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cn(C(C)C)nn2)C1	ZINC001026850493	799992603	/nfs/dbraw/zinc/99/26/03/799992603.db2.gz	XEXDQXZZZGSTFS-NXHRZFHOSA-N	1	0	361.490	1.778	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)C[N@H+]4CCC[C@@H]4C)C[C@H]32)cn1	ZINC000974671222	800040724	/nfs/dbraw/zinc/04/07/24/800040724.db2.gz	QJSZIXXQCCMMHK-KVSKMBFKSA-N	1	0	366.465	1.220	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)cn1	ZINC000974671970	800042129	/nfs/dbraw/zinc/04/21/29/800042129.db2.gz	UVNJPVLYLRKXDZ-IEBWSBKVSA-N	1	0	366.465	1.078	20	30		FDEDRO
C#Cc1ccc(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)nc1	ZINC000728805731	800088461	/nfs/dbraw/zinc/08/84/61/800088461.db2.gz	GKQBEKICUDSBIX-UHFFFAOYSA-N	1	0	362.433	1.896	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]21	ZINC000974695778	800097484	/nfs/dbraw/zinc/09/74/84/800097484.db2.gz	BFHDZZNZJWMPGU-VAMGGRTRSA-N	1	0	367.493	1.610	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3CCN(C(=O)C[N@H+]4CC[C@H](C)C4)C[C@H]32)c1	ZINC000975073987	800865544	/nfs/dbraw/zinc/86/55/44/800865544.db2.gz	QJQJKCFUISUCSJ-KVSKMBFKSA-N	1	0	366.465	1.078	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2OCC[C@H]2C)C1	ZINC001027071433	800876182	/nfs/dbraw/zinc/87/61/82/800876182.db2.gz	JSYZVKVGWGNLSY-OGWOLHLISA-N	1	0	357.454	1.930	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cccc(C(N)=O)c2)C1	ZINC001027074700	800886293	/nfs/dbraw/zinc/88/62/93/800886293.db2.gz	FIGQQXVCYGJYKH-JQHSSLGASA-N	1	0	357.454	1.315	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnc(C(C)C)n2C)C1	ZINC001027075645	800889730	/nfs/dbraw/zinc/88/97/30/800889730.db2.gz	XGVOOLZEVZNMPV-OAGGEKHMSA-N	1	0	361.490	1.468	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nc(C3CC3)nn2C)C1	ZINC001027076818	800892375	/nfs/dbraw/zinc/89/23/75/800892375.db2.gz	VNGFBBNGXYAWEU-IMJJTQAJSA-N	1	0	359.474	1.222	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnc(C)n2CC)C1	ZINC001027116967	801012658	/nfs/dbraw/zinc/01/26/58/801012658.db2.gz	MGVCSHPVSWAAMK-BQFCYCMXSA-N	1	0	361.490	1.526	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ncc(Cl)n2C)C1	ZINC001027117427	801016747	/nfs/dbraw/zinc/01/67/47/801016747.db2.gz	YCJHKKLBGPQJND-ZQIUZPCESA-N	1	0	366.893	1.993	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)C[N@H+]4CC[C@H](C)C4)[C@@H]3C2)nc1	ZINC000975221314	801020541	/nfs/dbraw/zinc/02/05/41/801020541.db2.gz	IPVUIXFBAABDED-KVSKMBFKSA-N	1	0	366.465	1.078	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@]23C[C@H]2COC3)cc1	ZINC001027896018	806885658	/nfs/dbraw/zinc/88/56/58/806885658.db2.gz	FKVRZZZIPCNSKN-ZWOKBUDYSA-N	1	0	355.438	1.706	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000975313062	801162872	/nfs/dbraw/zinc/16/28/72/801162872.db2.gz	YDPZCUDNMIMSJI-IJEWVQPXSA-N	1	0	357.458	1.195	20	30		FDEDRO
Cc1cc(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)nn1CCC#N	ZINC000278880780	806933023	/nfs/dbraw/zinc/93/30/23/806933023.db2.gz	PFGNAUFNRBCZOI-HNNXBMFYSA-N	1	0	360.462	1.822	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]32)C1	ZINC000975671537	801906351	/nfs/dbraw/zinc/90/63/51/801906351.db2.gz	XPRQEJQCAPZEJK-MPGHIAIKSA-N	1	0	369.469	1.291	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@@H]32)cc1	ZINC000975719088	802123065	/nfs/dbraw/zinc/12/30/65/802123065.db2.gz	PTLFMXDJBOCNDF-IHPCNDPISA-N	1	0	365.477	1.683	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)/C=C\C4CC4)[C@H]3C2)CC1	ZINC000975754222	802207729	/nfs/dbraw/zinc/20/77/29/802207729.db2.gz	GDTRIWMHIJLCPO-YZKSSJSGSA-N	1	0	369.509	1.747	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1	ZINC000423118335	814964480	/nfs/dbraw/zinc/96/44/80/814964480.db2.gz	AAJOWLMLDGGQMJ-IPMKNSEASA-N	1	0	368.481	1.883	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1	ZINC000423120065	814964979	/nfs/dbraw/zinc/96/49/79/814964979.db2.gz	GBVFVFWQKLRUCC-QAPCUYQASA-N	1	0	356.470	1.883	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC(C[NH2+]C)CC1	ZINC000423185610	814983148	/nfs/dbraw/zinc/98/31/48/814983148.db2.gz	JTVIXEJIWVCXEL-UHFFFAOYSA-N	1	0	354.454	1.531	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1	ZINC000423180599	814989910	/nfs/dbraw/zinc/98/99/10/814989910.db2.gz	BGVZTPKJNAZJMA-INIZCTEOSA-N	1	0	354.454	1.660	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C[N@H+]2CC[C@@H](C)C2)nc1	ZINC000977027283	804302864	/nfs/dbraw/zinc/30/28/64/804302864.db2.gz	WKCMVWFGEWZLTM-KBAYOESNSA-N	1	0	368.481	1.562	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1	ZINC000423252350	815019949	/nfs/dbraw/zinc/01/99/49/815019949.db2.gz	UAEQTKVYSFLVFJ-MAUKXSAKSA-N	1	0	372.469	1.119	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1	ZINC000662962344	804731297	/nfs/dbraw/zinc/73/12/97/804731297.db2.gz	VTEWDGMBHXSYFR-OWSLCNJRSA-N	1	0	363.502	1.546	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)C1	ZINC000662960618	804735026	/nfs/dbraw/zinc/73/50/26/804735026.db2.gz	PADNTTRHAZMEOZ-NXHRZFHOSA-N	1	0	363.502	1.546	20	30		FDEDRO
Cc1cc(NC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C)c(C#N)cn1	ZINC001126131031	804788659	/nfs/dbraw/zinc/78/86/59/804788659.db2.gz	WYZHNCBFQHYLEX-KYJSFNMBSA-N	1	0	357.502	1.967	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CCN2C(=O)[C@@H]2C[C@H]2C2CCC2)CC1	ZINC000977844426	804997736	/nfs/dbraw/zinc/99/77/36/804997736.db2.gz	BKSVNHCYDFVVIQ-SLFFLAALSA-N	1	0	371.525	1.827	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N(C)CC)C2)c1	ZINC001112526987	805080193	/nfs/dbraw/zinc/08/01/93/805080193.db2.gz	HENKZNUPPBXYRQ-RXVVDRJESA-N	1	0	368.481	1.373	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCOCCOC)C2)c1	ZINC001112527049	805085950	/nfs/dbraw/zinc/08/59/50/805085950.db2.gz	KFWBCICCQIRLDV-FPOVZHCZSA-N	1	0	371.481	1.558	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@H](C)C(=O)N(C)C)C2)c1	ZINC001112527260	805155266	/nfs/dbraw/zinc/15/52/66/805155266.db2.gz	WEOHFDZZVUNXAT-YWMUFLPLSA-N	1	0	368.481	1.372	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)nc1	ZINC000978097339	805194915	/nfs/dbraw/zinc/19/49/15/805194915.db2.gz	MWUDSEBQZZSPMP-DJIMGWMZSA-N	1	0	354.454	1.076	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4ccccc4C#N)C[C@H]32)CC[N@@H+]1C	ZINC000978181772	805262030	/nfs/dbraw/zinc/26/20/30/805262030.db2.gz	PLCCIDAHMCBLSI-CBFGRJNTSA-N	1	0	352.482	1.692	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCO[C@H]3c3ccnn3CC)[C@@H]2C1	ZINC000978277109	805331347	/nfs/dbraw/zinc/33/13/47/805331347.db2.gz	AJUQZVRSBSMKQU-ZQOJQMTGSA-N	1	0	358.486	1.851	20	30		FDEDRO
N#Cc1ccccc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)[C@@H]2C1	ZINC000978291908	805342678	/nfs/dbraw/zinc/34/26/78/805342678.db2.gz	KPSICWIYHVDGIP-NNIGNNQHSA-N	1	0	361.449	1.879	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)O1	ZINC000978350420	805364455	/nfs/dbraw/zinc/36/44/55/805364455.db2.gz	GMJHACAVNHNUMY-MRBRGOBGSA-N	1	0	368.481	1.071	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC23CC3)C[C@H]1c1ccccc1	ZINC001211680205	805502334	/nfs/dbraw/zinc/50/23/34/805502334.db2.gz	LHFJJVNGWPALLN-OKZBNKHCSA-N	1	0	353.466	1.673	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1nnc3c1CCCC3)C2	ZINC001112531186	806999916	/nfs/dbraw/zinc/99/99/16/806999916.db2.gz	JYAQUROHHWULRG-JXFKEZNVSA-N	1	0	357.502	1.951	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCNC2=O)C1	ZINC001087429793	807008087	/nfs/dbraw/zinc/00/80/87/807008087.db2.gz	CWCCLEXOCRCUQD-GUDVDZBRSA-N	1	0	353.466	1.510	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)CC[C@@H]1c1ccccc1	ZINC001087429846	807023091	/nfs/dbraw/zinc/02/30/91/807023091.db2.gz	HDHJEDDKJBXBKE-AQNXPRMDSA-N	1	0	355.482	1.051	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000893608591	807039361	/nfs/dbraw/zinc/03/93/61/807039361.db2.gz	XCAYNRKLDRIIRU-IBGZPJMESA-N	1	0	358.486	1.526	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@]2(C)CCNC(=O)C2)C1	ZINC001087430293	807055468	/nfs/dbraw/zinc/05/54/68/807055468.db2.gz	HRQJAIJTUMBVPT-WOIUINJBSA-N	1	0	367.493	1.900	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000980579009	807077947	/nfs/dbraw/zinc/07/79/47/807077947.db2.gz	FXFPBWAYWJPLHH-UWIFEVILSA-N	1	0	368.437	1.550	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cn(C)ccc2=O)C1	ZINC001087432188	807269852	/nfs/dbraw/zinc/26/98/52/807269852.db2.gz	AVERCRQNJNDTON-UYAOXDASSA-N	1	0	363.461	1.997	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)C3=CCCC3)C2)CC1	ZINC000981149733	807597805	/nfs/dbraw/zinc/59/78/05/807597805.db2.gz	VHRXCPWIBKROKW-QFBILLFUSA-N	1	0	357.498	1.843	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1	ZINC000981340037	807915308	/nfs/dbraw/zinc/91/53/08/807915308.db2.gz	MAGPWSHPGZPLNU-DAYGRLMNSA-N	1	0	371.485	1.774	20	30		FDEDRO
C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1	ZINC000981451436	808044028	/nfs/dbraw/zinc/04/40/28/808044028.db2.gz	SSPPEPGFGLIVNF-KGLIPLIRSA-N	1	0	350.381	1.833	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)C(=O)N3CCCC[C@@H]3C[NH3+])CC2)cc1	ZINC000423622233	815178978	/nfs/dbraw/zinc/17/89/78/815178978.db2.gz	MJWNCEXPIZVJFY-MRXNPFEDSA-N	1	0	370.453	1.268	20	30		FDEDRO
C[C@@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)N1CC[NH+](C)CC1	ZINC000279087387	808317245	/nfs/dbraw/zinc/31/72/45/808317245.db2.gz	RQIRFNBSPCXSRH-AWEZNQCLSA-N	1	0	353.426	1.579	20	30		FDEDRO
C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)CC1	ZINC000423674413	815202835	/nfs/dbraw/zinc/20/28/35/815202835.db2.gz	PCSKDXPTAHINJL-OLMNPRSZSA-N	1	0	354.454	1.338	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CCCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)c1	ZINC000981764997	808451439	/nfs/dbraw/zinc/45/14/39/808451439.db2.gz	MLIOOLAQZPXXBA-IAGOWNOFSA-N	1	0	354.410	1.648	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cn1	ZINC000981847651	808625418	/nfs/dbraw/zinc/62/54/18/808625418.db2.gz	JLAZVZNJPNCXPO-TXPKVOOTSA-N	1	0	368.481	1.419	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1ccco1)C2	ZINC001112533340	808672258	/nfs/dbraw/zinc/67/22/58/808672258.db2.gz	CXHLJFFXVJMXRL-ROYATCLZSA-N	1	0	370.453	1.241	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(C)CCOCc2ccc(C#N)cc2)C1	ZINC000423741219	815231458	/nfs/dbraw/zinc/23/14/58/815231458.db2.gz	SPDMWLVQKABAEW-MAUKXSAKSA-N	1	0	372.469	1.119	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cnc(C)s4)[C@@H]3C2)C1=O	ZINC001075602804	808780613	/nfs/dbraw/zinc/78/06/13/808780613.db2.gz	OGCFXHGFMSBXBS-SOUVJXGZSA-N	1	0	360.483	1.385	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000981987144	808926512	/nfs/dbraw/zinc/92/65/12/808926512.db2.gz	GHUGBCWYFHHJTR-NXNVCVFFSA-N	1	0	371.485	1.631	20	30		FDEDRO
N#Cc1ccc(C2(C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)CC2)cc1	ZINC000467841352	809038290	/nfs/dbraw/zinc/03/82/90/809038290.db2.gz	ZNTGZYXGEOMDKS-INIZCTEOSA-N	1	0	354.454	1.293	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@]1(COC)CCC[NH2+]1	ZINC000418640600	809096350	/nfs/dbraw/zinc/09/63/50/809096350.db2.gz	QXBBPKQNHABZDR-IBGZPJMESA-N	1	0	360.458	1.485	20	30		FDEDRO
CC[C@H]([NH3+])CNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000418723792	809164369	/nfs/dbraw/zinc/16/43/69/809164369.db2.gz	JIMIEXRVQJIBGS-ZDUSSCGKSA-N	1	0	355.446	1.295	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C3CC3)n[nH]1)C2	ZINC001112534552	809266840	/nfs/dbraw/zinc/26/68/40/809266840.db2.gz	RIHTUXIXVURPLY-JXFKEZNVSA-N	1	0	356.470	1.769	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1c1ccccc1	ZINC001211722702	809308646	/nfs/dbraw/zinc/30/86/46/809308646.db2.gz	LFWNCJYOUVEFMI-FUHWJXTLSA-N	1	0	350.422	1.335	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCCSCc2ccccc2C#N)C1	ZINC000418931358	809323061	/nfs/dbraw/zinc/32/30/61/809323061.db2.gz	YCIURFIUXGPUOM-GDBMZVCRSA-N	1	0	374.510	1.493	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1	ZINC000418939607	809330800	/nfs/dbraw/zinc/33/08/00/809330800.db2.gz	RQAWUJFSOKXWTA-BHYGNILZSA-N	1	0	357.454	1.372	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3nncn3C2)C[C@H]1c1ccccc1	ZINC001211729670	809674131	/nfs/dbraw/zinc/67/41/31/809674131.db2.gz	GHHLJDASURPELJ-CEXWTWQISA-N	1	0	363.465	1.448	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)C1	ZINC001087442288	809686729	/nfs/dbraw/zinc/68/67/29/809686729.db2.gz	APSOFVGFWNSXTF-VAMGGRTRSA-N	1	0	371.481	1.394	20	30		FDEDRO
O=C(NCC#C[C@@H]1CCCCO1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1	ZINC000893740605	809693311	/nfs/dbraw/zinc/69/33/11/809693311.db2.gz	JJTLVQFOMNZNIF-GBESFXJTSA-N	1	0	363.502	1.626	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NCc1cccc(OCCN2CCOCC2)c1	ZINC000424142721	815317111	/nfs/dbraw/zinc/31/71/11/815317111.db2.gz	DVLFSGKIYXOQDB-GOSISDBHSA-N	1	0	360.458	1.035	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1	ZINC001087445777	809852030	/nfs/dbraw/zinc/85/20/30/809852030.db2.gz	PBOIHBXJLUIOOW-KZNAEPCWSA-N	1	0	369.465	1.590	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CCC4(C[C@H]3F)OCCO4)C2=O)cc1	ZINC000894005578	809862087	/nfs/dbraw/zinc/86/20/87/809862087.db2.gz	LKZFVDMEERBYOH-SQNIBIBYSA-N	1	0	373.428	1.882	20	30		FDEDRO
Cc1nn(C)c(C)c1[C@@H]1[C@@H](C[NH2+]Cc2cc(C#N)n(C)c2)CC(=O)N1C	ZINC000424189236	815324768	/nfs/dbraw/zinc/32/47/68/815324768.db2.gz	MFEPROAMCBCKQY-BEFAXECRSA-N	1	0	354.458	1.556	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)cn2)C[C@H]1c1ccccc1	ZINC001211733759	809901886	/nfs/dbraw/zinc/90/18/86/809901886.db2.gz	CPRNUSSEJQRTSM-PKOBYXMFSA-N	1	0	362.433	1.402	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2COCCO2)C1	ZINC001087452724	809972378	/nfs/dbraw/zinc/97/23/78/809972378.db2.gz	ILTAOYYYQGHCGB-GUDVDZBRSA-N	1	0	360.429	1.539	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CCCO)CC[C@@H]2c2cccc(F)c2)c1	ZINC001087453957	810040840	/nfs/dbraw/zinc/04/08/40/810040840.db2.gz	UGPAUABELDEAAM-IEBWSBKVSA-N	1	0	370.428	1.996	20	30		FDEDRO
N#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1	ZINC001087455459	810063795	/nfs/dbraw/zinc/06/37/95/810063795.db2.gz	WZKRBJWSWOXXBT-HSALFYBXSA-N	1	0	370.472	1.965	20	30		FDEDRO
C[C@]1(C#N)CN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CCO1	ZINC000894109377	810075130	/nfs/dbraw/zinc/07/51/30/810075130.db2.gz	OSARENYOUDGRPH-HKUYNNGSSA-N	1	0	358.442	1.077	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCNC2=O)C1	ZINC001087457293	810185253	/nfs/dbraw/zinc/18/52/53/810185253.db2.gz	SQZSQESGDBBEJU-KZNAEPCWSA-N	1	0	359.445	1.812	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1	ZINC000433402506	810511212	/nfs/dbraw/zinc/51/12/12/810511212.db2.gz	YAMHEZJICJBDOT-MRXNPFEDSA-N	1	0	370.413	1.939	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)CCSC	ZINC001211817321	810533094	/nfs/dbraw/zinc/53/30/94/810533094.db2.gz	PWRMGXWMDQHGKN-HZPDHXFCSA-N	1	0	351.447	1.766	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C	ZINC000664077687	810546023	/nfs/dbraw/zinc/54/60/23/810546023.db2.gz	AUXRPERWOGLYEN-UHFFFAOYSA-N	1	0	362.474	1.413	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCCN2CCCC2=O)C1	ZINC001028545832	810632123	/nfs/dbraw/zinc/63/21/23/810632123.db2.gz	MAZRWDXGUFTSIK-KSZLIROESA-N	1	0	363.502	1.418	20	30		FDEDRO
N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)C1	ZINC000424547466	815389647	/nfs/dbraw/zinc/38/96/47/815389647.db2.gz	OGXYUULASWFMQT-NKKGCODLSA-N	1	0	358.417	1.277	20	30		FDEDRO
CC[NH+]=C(NC[C@H](O)c1cnn(C)c1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2	ZINC000261774908	810823064	/nfs/dbraw/zinc/82/30/64/810823064.db2.gz	PNFNEKIZZSWGLY-MWDXBVQZSA-N	1	0	361.490	1.356	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c1	ZINC000412885299	810869201	/nfs/dbraw/zinc/86/92/01/810869201.db2.gz	SDFGVUUKSIERHD-UHFFFAOYSA-N	1	0	365.437	1.514	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CN2CCOCC2)C1	ZINC001087463400	811094945	/nfs/dbraw/zinc/09/49/45/811094945.db2.gz	IFWVPGOELQSLPZ-RTBURBONSA-N	1	0	361.461	1.618	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H](C)n2cncn2)C1	ZINC001087464170	811196632	/nfs/dbraw/zinc/19/66/32/811196632.db2.gz	XAMHJJPYHYVXGU-ATZDWAIDSA-N	1	0	369.444	1.976	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCN(c2ccccn2)CC1	ZINC000261680412	811297043	/nfs/dbraw/zinc/29/70/43/811297043.db2.gz	QHWRKAPSJOFTQS-JQHSSLGASA-N	1	0	355.486	1.737	20	30		FDEDRO
[NH2+]=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)N1CCN(c2ncccn2)CC1	ZINC000261704994	811301377	/nfs/dbraw/zinc/30/13/77/811301377.db2.gz	UKDDBCJMDXDVFZ-OAGGEKHMSA-N	1	0	356.474	1.261	20	30		FDEDRO
CC[NH+]=C(NCCc1c(C)noc1C)N1CCO[C@@H](c2cnn(C)c2)C1	ZINC000261714294	811303089	/nfs/dbraw/zinc/30/30/89/811303089.db2.gz	HPZUTXPYNZRQBO-QGZVFWFLSA-N	1	0	360.462	1.606	20	30		FDEDRO
C[NH+]=C(NCc1nnc2ccc(C(F)(F)F)cn21)N(C)Cc1ccon1	ZINC000261725179	811305994	/nfs/dbraw/zinc/30/59/94/811305994.db2.gz	IUIXXQUUNYINOB-UHFFFAOYSA-N	1	0	367.335	1.944	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cc1	ZINC000982827094	811402307	/nfs/dbraw/zinc/40/23/07/811402307.db2.gz	JYJIWJZLNLJRLW-YZGWKJHDSA-N	1	0	367.493	1.977	20	30		FDEDRO
C[C@@H]1CCCC[C@@H]1[NH+]=C(NCC(=O)N(C)C)N1CC[C@H](c2cnn(C)c2)C1	ZINC000262248177	811423522	/nfs/dbraw/zinc/42/35/22/811423522.db2.gz	BHODRRKSKUWOAK-RYRKJORJSA-N	1	0	374.533	1.822	20	30		FDEDRO
C[NH+]=C(NCC(=O)N1CCc2ccccc2C1)NC[C@H](O)c1ccc(C)o1	ZINC000262359038	811450340	/nfs/dbraw/zinc/45/03/40/811450340.db2.gz	IIJSYIBXJZQGFM-KRWDZBQOSA-N	1	0	370.453	1.371	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)N1CCN(c2ncccn2)CC1	ZINC000262453974	811471195	/nfs/dbraw/zinc/47/11/95/811471195.db2.gz	WMZRSLHRCDTMNF-BZUAXINKSA-N	1	0	358.490	1.378	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CCN(c2ncccn2)CC1	ZINC000262453976	811471225	/nfs/dbraw/zinc/47/12/25/811471225.db2.gz	WMZRSLHRCDTMNF-XHSDSOJGSA-N	1	0	358.490	1.378	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)N1CCN(c2ncccn2)CC1	ZINC000262453975	811471348	/nfs/dbraw/zinc/47/13/48/811471348.db2.gz	WMZRSLHRCDTMNF-OAGGEKHMSA-N	1	0	358.490	1.378	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[C@H]2CCNC2=O)C1	ZINC001087465324	811489781	/nfs/dbraw/zinc/48/97/81/811489781.db2.gz	ITIICUDKJGZWTQ-KBAYOESNSA-N	1	0	359.445	1.812	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)O1	ZINC001028628172	811641516	/nfs/dbraw/zinc/64/15/16/811641516.db2.gz	OTAHQPUQFKVMIQ-ATZDWAIDSA-N	1	0	356.470	1.215	20	30		FDEDRO
COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC[N@H+](C)C1	ZINC000419610333	812055473	/nfs/dbraw/zinc/05/54/73/812055473.db2.gz	JTTKCSSHEKTLKH-FUHWJXTLSA-N	1	0	370.453	1.682	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+]	ZINC000420011529	813395017	/nfs/dbraw/zinc/39/50/17/813395017.db2.gz	HALJXYATUFYBSN-ZWKOTPCHSA-N	1	0	356.470	1.931	20	30		FDEDRO
C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	ZINC000420105798	813461738	/nfs/dbraw/zinc/46/17/38/813461738.db2.gz	SXJTYNSMZUKVKY-NRSFXHEJSA-N	1	0	354.454	1.399	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CC[NH2+]1	ZINC000420133436	813472341	/nfs/dbraw/zinc/47/23/41/813472341.db2.gz	SZXLKNVYFNEZET-GOEBONIOSA-N	1	0	370.453	1.185	20	30		FDEDRO
CCc1nc(CN2C[C@H]3C[NH+](CCOc4ccc(C#N)cc4)C[C@@H]3C2)no1	ZINC000366699863	813820982	/nfs/dbraw/zinc/82/09/82/813820982.db2.gz	WDKHRKRBVHGNNK-IAGOWNOFSA-N	1	0	367.453	1.946	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+]C1CCN(OC)CC1	ZINC000421203351	814006834	/nfs/dbraw/zinc/00/68/34/814006834.db2.gz	CXMHLBAFELMXJO-HNNXBMFYSA-N	1	0	360.458	1.946	20	30		FDEDRO
COc1cc(C#N)ccc1OCCN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000367026568	814238079	/nfs/dbraw/zinc/23/80/79/814238079.db2.gz	BDYPRBWYYPSGPT-MJGOQNOKSA-N	1	0	372.513	1.903	20	30		FDEDRO
C[C@@H]1CN(CC(=O)NCc2ccc(C#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000367031049	814259560	/nfs/dbraw/zinc/25/95/60/814259560.db2.gz	TZWWEEZGCBPIAD-YLJYHZDGSA-N	1	0	369.513	1.132	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCC[C@H]2C(=O)NC)cc1	ZINC000502833656	814285198	/nfs/dbraw/zinc/28/51/98/814285198.db2.gz	NQJKKNIGWOOIEF-QZTJIDSGSA-N	1	0	372.469	1.836	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[NH+]1CCC([C@@H](O)C(=O)NC2CC2)CC1	ZINC000434715521	815697198	/nfs/dbraw/zinc/69/71/98/815697198.db2.gz	ZKZWPJLIRBZGFF-LJQANCHMSA-N	1	0	373.453	1.297	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000983316849	815716770	/nfs/dbraw/zinc/71/67/70/815716770.db2.gz	LUBGWMLVXHCWAR-OLMNPRSZSA-N	1	0	368.437	1.504	20	30		FDEDRO
Cc1onc(CC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1C#N	ZINC000430103663	815730652	/nfs/dbraw/zinc/73/06/52/815730652.db2.gz	LMVDNXHXMFTONA-QGZVFWFLSA-N	1	0	368.437	1.805	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC(=O)N2CCCCCC2)C1	ZINC001028809845	815784204	/nfs/dbraw/zinc/78/42/04/815784204.db2.gz	OZYRPAYJZNQLFZ-KSZLIROESA-N	1	0	363.502	1.418	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(Cc2nnc(C)n2CCC)C1	ZINC001028808941	815788325	/nfs/dbraw/zinc/78/83/25/815788325.db2.gz	HZXNRYQAXOKYSI-ZACQAIPSSA-N	1	0	361.490	1.526	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)Nc1cc(C)no1	ZINC001167956697	815809357	/nfs/dbraw/zinc/80/93/57/815809357.db2.gz	ISBQWKHQLAKBOE-YOEHRIQHSA-N	1	0	364.446	1.389	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCC(=O)N1	ZINC000434879422	815828886	/nfs/dbraw/zinc/82/88/86/815828886.db2.gz	XICBQSVXGJBGDN-QGZVFWFLSA-N	1	0	357.458	1.300	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)c3c(F)cc(C#N)cc3F)CC2)C1=O	ZINC000425304847	815963064	/nfs/dbraw/zinc/96/30/64/815963064.db2.gz	HTSSFFUHKKOSOA-OAHLLOKOSA-N	1	0	362.380	1.261	20	30		FDEDRO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1	ZINC000425381841	816045944	/nfs/dbraw/zinc/04/59/44/816045944.db2.gz	HMWUIAVPFXGXLT-MGPUTAFESA-N	1	0	354.454	1.632	20	30		FDEDRO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1	ZINC000425381843	816046015	/nfs/dbraw/zinc/04/60/15/816046015.db2.gz	HMWUIAVPFXGXLT-YWZLYKJASA-N	1	0	354.454	1.632	20	30		FDEDRO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000425388009	816064216	/nfs/dbraw/zinc/06/42/16/816064216.db2.gz	RTJSEWNXBMEICW-YJBOKZPZSA-N	1	0	352.438	1.550	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CCN[C@H]2CCN(c3ccccc3)C2=O)nc1	ZINC000515055127	816085802	/nfs/dbraw/zinc/08/58/02/816085802.db2.gz	RRLNHDYIQZTOMC-INIZCTEOSA-N	1	0	370.434	1.122	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)C3=CCOCC3)[C@@H]2C1	ZINC001075719634	816130577	/nfs/dbraw/zinc/13/05/77/816130577.db2.gz	VKPHWKPCFHDQQE-PKOBYXMFSA-N	1	0	367.449	1.946	20	30		FDEDRO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O	ZINC000425443391	816294168	/nfs/dbraw/zinc/29/41/68/816294168.db2.gz	LQWZUJUEMJMZNG-YOEHRIQHSA-N	1	0	357.458	1.600	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O	ZINC000425443288	816294209	/nfs/dbraw/zinc/29/42/09/816294209.db2.gz	LQWZUJUEMJMZNG-PBHICJAKSA-N	1	0	357.458	1.600	20	30		FDEDRO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC000425446501	816298177	/nfs/dbraw/zinc/29/81/77/816298177.db2.gz	PDOGWELDGUROEG-MAUKXSAKSA-N	1	0	371.485	1.848	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC000425446497	816298419	/nfs/dbraw/zinc/29/84/19/816298419.db2.gz	PDOGWELDGUROEG-CRAIPNDOSA-N	1	0	371.485	1.848	20	30		FDEDRO
C=CCn1cc(CNC(=O)N[C@@H]2CC[N@@H+](CCCOCC)C[C@H]2C)nn1	ZINC000425444530	816302572	/nfs/dbraw/zinc/30/25/72/816302572.db2.gz	BSZXLDIGQCVLOV-NVXWUHKLSA-N	1	0	364.494	1.400	20	30		FDEDRO
COCC(C)(C)[NH+]1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000425511862	816409840	/nfs/dbraw/zinc/40/98/40/816409840.db2.gz	XFAHGBCSHBGPAT-GOSISDBHSA-N	1	0	356.470	1.706	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)cc1	ZINC000425550234	816521274	/nfs/dbraw/zinc/52/12/74/816521274.db2.gz	WGRCPBIKWXWYQN-FQEVSTJZSA-N	1	0	371.481	1.722	20	30		FDEDRO
C=CCn1cc(CNC(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nn1	ZINC000425569778	816549828	/nfs/dbraw/zinc/54/98/28/816549828.db2.gz	ZWKAONFTZQEDEM-DOTOQJQBSA-N	1	0	354.458	1.926	20	30		FDEDRO
C=CCN(C[C@@H](O)C[N@H+](C)C1CC1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000516216440	816709136	/nfs/dbraw/zinc/70/91/36/816709136.db2.gz	HIFUXLLBOKEMEA-BEFAXECRSA-N	1	0	356.474	1.666	20	30		FDEDRO
Cn1nccc1CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]21	ZINC001075737391	816993911	/nfs/dbraw/zinc/99/39/11/816993911.db2.gz	HJZMYPIEWZTYDN-SUMWQHHRSA-N	1	0	355.467	1.629	20	30		FDEDRO
C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@@H]3CC[C@H](C#N)C3)c2)CC1	ZINC000425811129	817114583	/nfs/dbraw/zinc/11/45/83/817114583.db2.gz	ZIOJEKSXTZBMJU-MAUKXSAKSA-N	1	0	369.469	1.181	20	30		FDEDRO
N#Cc1cccc(NC(=O)C2CCN(C(=O)NC[C@H]3CCC[NH2+]3)CC2)c1	ZINC000516960212	817132564	/nfs/dbraw/zinc/13/25/64/817132564.db2.gz	JVZFRNVOIKVEFX-QGZVFWFLSA-N	1	0	355.442	1.670	20	30		FDEDRO
N#CC1CCC(C[NH2+]C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1	ZINC000516966108	817133646	/nfs/dbraw/zinc/13/36/46/817133646.db2.gz	VMXOPOYCXRPENO-VMBOVVBDSA-N	1	0	356.426	1.784	20	30		FDEDRO
C[NH+]=C(NCC(=O)Nc1ccc(F)c(F)c1F)N1CC[C@]2(CCOC2)C1	ZINC000261947050	817274279	/nfs/dbraw/zinc/27/42/79/817274279.db2.gz	GFTPCJNRESVBTP-KRWDZBQOSA-N	1	0	370.375	1.730	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1	ZINC000425881871	817298605	/nfs/dbraw/zinc/29/86/05/817298605.db2.gz	DCAKHWYKMVAWJF-JJRVBVJISA-N	1	0	354.454	1.819	20	30		FDEDRO
C=CCn1cc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)nn1	ZINC000425883675	817304075	/nfs/dbraw/zinc/30/40/75/817304075.db2.gz	VVWODIZJHLFLAB-SJPCQFCGSA-N	1	0	362.478	1.247	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000425888256	817318458	/nfs/dbraw/zinc/31/84/58/817318458.db2.gz	SWYLEUQQDKUSRX-QYZOEREBSA-N	1	0	371.481	1.332	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1	ZINC000425895137	817322962	/nfs/dbraw/zinc/32/29/62/817322962.db2.gz	VBJBEYGHCZJXME-RDJZCZTQSA-N	1	0	363.433	1.081	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C	ZINC000437792066	817338597	/nfs/dbraw/zinc/33/85/97/817338597.db2.gz	JKFKJLQZMFPWSE-ULQDDVLXSA-N	1	0	366.506	1.210	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1	ZINC000517453944	817449155	/nfs/dbraw/zinc/44/91/55/817449155.db2.gz	VDTRLMDTPZVYBY-KBPBESRZSA-N	1	0	358.442	1.742	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1	ZINC000517453945	817449557	/nfs/dbraw/zinc/44/95/57/817449557.db2.gz	VDTRLMDTPZVYBY-KGLIPLIRSA-N	1	0	358.442	1.742	20	30		FDEDRO
CC1CC[NH+](C[C@H](O)CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1	ZINC000506339219	817690435	/nfs/dbraw/zinc/69/04/35/817690435.db2.gz	PFJGCGSNTDKKOW-BEFAXECRSA-N	1	0	367.490	1.457	20	30		FDEDRO
N#CCC[C@@H](NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1	ZINC000438857936	817760119	/nfs/dbraw/zinc/76/01/19/817760119.db2.gz	OCXKJWJVLLRJRB-QZTJIDSGSA-N	1	0	371.485	1.918	20	30		FDEDRO
C[NH+]=C(NCC1(N(C)C)Cc2ccccc2C1)N1CC[C@]2(CCOC2)C1	ZINC000261980641	817904088	/nfs/dbraw/zinc/90/40/88/817904088.db2.gz	OUGVFCFEFADFGO-FQEVSTJZSA-N	1	0	356.514	1.773	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)cc1	ZINC000439363740	817946764	/nfs/dbraw/zinc/94/67/64/817946764.db2.gz	GULNVOOQWKUJBB-CQSZACIVSA-N	1	0	373.457	1.485	20	30		FDEDRO
C[C@@]1(C#N)CN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCO1	ZINC000894437332	818054802	/nfs/dbraw/zinc/05/48/02/818054802.db2.gz	NNJTVBFJUOIXRD-UYAOXDASSA-N	1	0	372.469	1.602	20	30		FDEDRO
CCOc1ccc([C@@H]2CCN(CC#N)C[C@@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)cc1	ZINC001087471682	818083398	/nfs/dbraw/zinc/08/33/98/818083398.db2.gz	PKEYFKLLTVWTON-HOJAQTOUSA-N	1	0	370.497	1.835	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2ncn(C)n2)C1	ZINC001087474226	818247515	/nfs/dbraw/zinc/24/75/15/818247515.db2.gz	RYOPZEUJZHKGGC-ROUUACIJSA-N	1	0	369.469	1.988	20	30		FDEDRO
C[C@H]1[C@@H](NC(=O)COc2cccc(Br)c2C#N)CC[N@@H+]1C	ZINC000928432092	818394488	/nfs/dbraw/zinc/39/44/88/818394488.db2.gz	ISNJFFDZYLUBHQ-GWCFXTLKSA-N	1	0	352.232	1.908	20	30		FDEDRO
CCC[C@H](OCC)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC#CCOC)C1	ZINC001112148644	818424916	/nfs/dbraw/zinc/42/49/16/818424916.db2.gz	WGARIJZUSDESLT-KFWWJZLASA-N	1	0	364.408	1.820	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC000983733716	818877555	/nfs/dbraw/zinc/87/75/55/818877555.db2.gz	BKTMADXATFDNEW-KJWYOANISA-N	1	0	371.485	1.583	20	30		FDEDRO
NC(=NOCc1nnc2n1CCOC2)c1cccc(C[NH+]2CCCCC2)c1	ZINC000280790018	818896630	/nfs/dbraw/zinc/89/66/30/818896630.db2.gz	QMDSCGIHKVRYOZ-UHFFFAOYSA-N	1	0	370.457	1.631	20	30		FDEDRO
N#Cc1cc2c(n(C[C@@H]3COCCO3)c1=O)CC[N@@H+](Cc1ccccc1)C2	ZINC000519642147	818994392	/nfs/dbraw/zinc/99/43/92/818994392.db2.gz	GBQOYTNFGVAJTM-LJQANCHMSA-N	1	0	365.433	1.694	20	30		FDEDRO
CC(=NOCC(F)F)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1	ZINC000758902065	819215450	/nfs/dbraw/zinc/21/54/50/819215450.db2.gz	AMRWHAJRXHAJTF-UHFFFAOYSA-N	1	0	363.430	1.922	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCC(F)(F)C2)CC1	ZINC000328654267	819523759	/nfs/dbraw/zinc/52/37/59/819523759.db2.gz	COUTWBGKEWMUGF-LSDHHAIUSA-N	1	0	372.460	1.964	20	30		FDEDRO
Cn1cc2c(n1)CCC[C@H]2NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000328710115	819539399	/nfs/dbraw/zinc/53/93/99/819539399.db2.gz	GAKLAWGZJIITTH-NVXWUHKLSA-N	1	0	361.490	1.756	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)N2CCC(C(=O)N3CCCC3)CC2)CC1	ZINC000328796602	819557722	/nfs/dbraw/zinc/55/77/22/819557722.db2.gz	DFNVXGJPKMLVTP-UHFFFAOYSA-N	1	0	366.506	1.346	20	30		FDEDRO
CO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1	ZINC000328940817	819583889	/nfs/dbraw/zinc/58/38/89/819583889.db2.gz	FCBIAMQANLATNT-KGLIPLIRSA-N	1	0	364.494	1.800	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc2n[nH]c(=O)n2c1	ZINC000328951405	819586273	/nfs/dbraw/zinc/58/62/73/819586273.db2.gz	XGAGMERYWFJDQN-HUUCEWRRSA-N	1	0	359.430	1.507	20	30		FDEDRO
C[N@@H+]1C[C@H](NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)[C@H](c2ccccc2)C1	ZINC000328925637	819595661	/nfs/dbraw/zinc/59/56/61/819595661.db2.gz	OIUFPXBVXZFJPZ-FTRWYGJKSA-N	1	0	370.453	1.966	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@](O)(C(=O)N3CCCC3)C2)C1	ZINC000328977398	819604146	/nfs/dbraw/zinc/60/41/46/819604146.db2.gz	WSBUHJLBIBCRSL-VQIMIIECSA-N	1	0	366.506	1.082	20	30		FDEDRO
C[C@@H](CC[NH+](C)C)NC(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1	ZINC000330884689	819647470	/nfs/dbraw/zinc/64/74/70/819647470.db2.gz	KZUJJTLPABEFTG-AWEZNQCLSA-N	1	0	362.478	1.135	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CC[C@H](c2nccc(C(F)(F)F)n2)C1	ZINC000895057121	819707065	/nfs/dbraw/zinc/70/70/65/819707065.db2.gz	RVOOSTKYZFGULZ-ZDUSSCGKSA-N	1	0	369.391	1.949	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1	ZINC000983987726	820399162	/nfs/dbraw/zinc/39/91/62/820399162.db2.gz	XDWZPIJHGJVBHK-JLSDUUJJSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)CC3CCOCC3)[C@H]2CC)C1=O	ZINC001087526208	820504938	/nfs/dbraw/zinc/50/49/38/820504938.db2.gz	IEHJUIZWURZEOR-KSZLIROESA-N	1	0	363.502	1.559	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087537261	820997124	/nfs/dbraw/zinc/99/71/24/820997124.db2.gz	CTTOZKCCNLBKEU-CEXWTWQISA-N	1	0	353.466	1.533	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1	ZINC000442156490	821076666	/nfs/dbraw/zinc/07/66/66/821076666.db2.gz	AMRPUHOCEWORNA-CZUORRHYSA-N	1	0	373.457	1.532	20	30		FDEDRO
CCOC(=O)Cn1cc(C[NH2+][C@H]2CCCN(O)C2=O)c(-c2ccccc2)n1	ZINC000895158118	821184613	/nfs/dbraw/zinc/18/46/13/821184613.db2.gz	WTZSISWPODVOLN-INIZCTEOSA-N	1	0	372.425	1.583	20	30		FDEDRO
C[NH+]1CCN(c2cccc(Cl)c2CN[C@H]2CCCN(O)C2=O)CC1	ZINC000895158466	821194575	/nfs/dbraw/zinc/19/45/75/821194575.db2.gz	JRXDUBHBGMITLX-HNNXBMFYSA-N	1	0	352.866	1.562	20	30		FDEDRO
COc1cc(CN[C@@H]2CCCN(O)C2=O)cc(OC)c1OCC(F)F	ZINC000895160021	821207807	/nfs/dbraw/zinc/20/78/07/821207807.db2.gz	ZNLIIVFWKZLBAR-LLVKDONJSA-N	1	0	360.357	1.818	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)CN2CCOCC2)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087547149	821281480	/nfs/dbraw/zinc/28/14/80/821281480.db2.gz	WPOCSIPSTZKNBU-DLBZAZTESA-N	1	0	362.499	1.421	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN([C@@H](C(=O)OC(C)(C)C)C(C)C)C1=O	ZINC000442781145	821288180	/nfs/dbraw/zinc/28/81/80/821288180.db2.gz	HVPNYRXSKXEABL-RRFJBIMHSA-N	1	0	367.490	1.234	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)[C@H]1CC	ZINC001087570262	821552592	/nfs/dbraw/zinc/55/25/92/821552592.db2.gz	JBUXXLODIXREQP-HYVNUMGLSA-N	1	0	359.474	1.698	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087592463	821635993	/nfs/dbraw/zinc/63/59/93/821635993.db2.gz	NOBQWSVSWGIODI-VBNZEHGJSA-N	1	0	360.483	1.567	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(=O)n(C)cn2)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087608394	821721592	/nfs/dbraw/zinc/72/15/92/821721592.db2.gz	HCOSNFLTFCFPPP-GOEBONIOSA-N	1	0	371.466	1.496	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCNC2=O)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087609951	821729891	/nfs/dbraw/zinc/72/98/91/821729891.db2.gz	KUIJFSRBPSJXTO-GBESFXJTSA-N	1	0	353.466	1.533	20	30		FDEDRO
C=C(Cl)CN1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1CC	ZINC001087665620	821978079	/nfs/dbraw/zinc/97/80/79/821978079.db2.gz	ZBMCCFMIAGQOTR-HNCZQISISA-N	1	0	353.894	1.571	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)[C@H]1CC	ZINC001087673849	821985692	/nfs/dbraw/zinc/98/56/92/821985692.db2.gz	CTVKKJWGIJWNBP-WNRNVDISSA-N	1	0	351.491	1.558	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087686906	822037681	/nfs/dbraw/zinc/03/76/81/822037681.db2.gz	DOZOTQLIXDQOBZ-GVDBMIGSSA-N	1	0	355.442	1.051	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCN(C)C2=O)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087692162	822066438	/nfs/dbraw/zinc/06/64/38/822066438.db2.gz	FZGYZQQMHVTXTQ-CEXWTWQISA-N	1	0	353.466	1.486	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCN(C)C2=O)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087692214	822066793	/nfs/dbraw/zinc/06/67/93/822066793.db2.gz	HOVVNEKVPYGBKR-FGTMMUONSA-N	1	0	354.454	1.506	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@]2(C)CCC(=O)NC2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087696101	822086162	/nfs/dbraw/zinc/08/61/62/822086162.db2.gz	HKBFZCCXVCXKRM-WAOWUJCRSA-N	1	0	368.481	1.944	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CCc3ccnn3C)[C@@H]2CC)c1	ZINC001087718901	822184903	/nfs/dbraw/zinc/18/49/03/822184903.db2.gz	PAUVQIVDFWFAKI-RBUKOAKNSA-N	1	0	351.454	1.622	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087728312	822256212	/nfs/dbraw/zinc/25/62/12/822256212.db2.gz	PWEVOWVNPOWYIZ-MAUKXSAKSA-N	1	0	365.437	1.768	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)[C@@H]1CC	ZINC001087755310	822371487	/nfs/dbraw/zinc/37/14/87/822371487.db2.gz	HRACHPNTOHREKI-BMFAXAFESA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccc(OC)nn2)[C@@H]1CC	ZINC001087758247	822381897	/nfs/dbraw/zinc/38/18/97/822381897.db2.gz	JZBMRZZQTZJSRR-BMFAXAFESA-N	1	0	374.485	1.936	20	30		FDEDRO
COC(=O)COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCC2)cc1	ZINC000469787648	822407988	/nfs/dbraw/zinc/40/79/88/822407988.db2.gz	QSQARIKFNZYFHC-ZIAGYGMSSA-N	1	0	359.426	1.840	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)[C@H]1CC	ZINC001087778793	822419934	/nfs/dbraw/zinc/41/99/34/822419934.db2.gz	SMCAWQKNMSMDMM-XYJFISCASA-N	1	0	361.490	1.864	20	30		FDEDRO
C=CCN1CC[C@H](N2CC[C@H](NC(=O)c3nc(C)oc3C)[C@H]2CC)C1=O	ZINC001087773019	822423022	/nfs/dbraw/zinc/42/30/22/822423022.db2.gz	QRPUSYGXEFCBFR-XHSDSOJGSA-N	1	0	360.458	1.661	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@H]1C(F)(F)F	ZINC001112167962	822461599	/nfs/dbraw/zinc/46/15/99/822461599.db2.gz	ONWMYJBJPAVCCR-AAVRWANBSA-N	1	0	354.376	1.526	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)CN2C(=O)CCC2=O)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087822815	822505059	/nfs/dbraw/zinc/50/50/59/822505059.db2.gz	LIHJVFATEPEREM-DLBZAZTESA-N	1	0	368.437	1.176	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@H]3CCCO3)[C@H]2CC)CC1	ZINC000984503728	822648528	/nfs/dbraw/zinc/64/85/28/822648528.db2.gz	JEZIZHIQJIINFX-RCCFBDPRSA-N	1	0	361.486	1.006	20	30		FDEDRO
N#Cc1ccc2ncc(CN3CCC(C(N)=O)([NH+]4CCCCC4)CC3)n2c1	ZINC000895554336	822649630	/nfs/dbraw/zinc/64/96/30/822649630.db2.gz	WPSVGYDSFZMQRD-UHFFFAOYSA-N	1	0	366.469	1.512	20	30		FDEDRO
O=C(c1ccc(=O)[nH]n1)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001087875100	822673142	/nfs/dbraw/zinc/67/31/42/822673142.db2.gz	FKHQBSZSUFRPEA-MSOLQXFVSA-N	1	0	362.433	1.628	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccc(=O)[nH]n4)C[C@@H]3C2)s1	ZINC001087875267	822673583	/nfs/dbraw/zinc/67/35/83/822673583.db2.gz	MWXFJGRRPSJUKH-OLZOCXBDSA-N	1	0	369.450	1.709	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+][C@@H]3C(=O)NCC34CCOCC4)CC2)cc1	ZINC000895770942	822736185	/nfs/dbraw/zinc/73/61/85/822736185.db2.gz	HLVRADMQIDZNIA-LJQANCHMSA-N	1	0	368.481	1.407	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4COCCO4)C[C@@H]3C2)cc1	ZINC001087893830	822741557	/nfs/dbraw/zinc/74/15/57/822741557.db2.gz	XEBTYVYJPMYANE-QYZOEREBSA-N	1	0	355.438	1.254	20	30		FDEDRO
C#CC[NH+]1CCC(Nc2cnc(NC3CC[NH+](CC#C)CC3)cn2)CC1	ZINC000895812387	822756326	/nfs/dbraw/zinc/75/63/26/822756326.db2.gz	QKHIMVOTXYZBPX-UHFFFAOYSA-N	1	0	352.486	1.496	20	30		FDEDRO
NC(=O)CC(=O)N1C[C@@H]2C[N@@H+](CC#Cc3ccc(Cl)cc3)CC[C@@H]2C1	ZINC001087914756	823810134	/nfs/dbraw/zinc/81/01/34/823810134.db2.gz	CTPALEQXWZWNNT-CVEARBPZSA-N	1	0	359.857	1.347	20	30		FDEDRO
COc1ncccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C1	ZINC001087925423	823937550	/nfs/dbraw/zinc/93/75/50/823937550.db2.gz	MDGSMWUXQUEYGP-WBVHZDCISA-N	1	0	365.437	1.884	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[N@H+](Cc4ccc(CO)cc4)CC[C@@H]3C2)c1	ZINC001087925688	823938556	/nfs/dbraw/zinc/93/85/56/823938556.db2.gz	ZTPZPNURFLERAW-MOPGFXCFSA-N	1	0	364.449	1.973	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@H]1CCN(c2c(F)cccc2F)C1)=[NH+]C1CC1	ZINC000262257006	824077620	/nfs/dbraw/zinc/07/76/20/824077620.db2.gz	CYVIBYPEVUSESA-ZDUSSCGKSA-N	1	0	365.428	1.329	20	30		FDEDRO
CCn1ncc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4C#N)CC[C@@H]3C2)n1	ZINC001087957334	824154727	/nfs/dbraw/zinc/15/47/27/824154727.db2.gz	MBIFOQMOOHUNRJ-MSOLQXFVSA-N	1	0	364.453	1.764	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1	ZINC000840464100	824196725	/nfs/dbraw/zinc/19/67/25/824196725.db2.gz	JVVWFFXPIWMTHU-KRWDZBQOSA-N	1	0	359.445	1.288	20	30		FDEDRO
O=C(N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1)[C@]12C[C@H]1COC2	ZINC001087972854	824304321	/nfs/dbraw/zinc/30/43/21/824304321.db2.gz	AWSGEBVCLFLVFM-AQCRLBJHSA-N	1	0	350.462	1.855	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)CC[C@@H]2C1	ZINC001087978716	824339924	/nfs/dbraw/zinc/33/99/24/824339924.db2.gz	PKNLEYXCVJAXHB-HZSPNIEDSA-N	1	0	367.877	1.351	20	30		FDEDRO
CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)C1	ZINC000329056306	824549537	/nfs/dbraw/zinc/54/95/37/824549537.db2.gz	XWVWSRQFDWMPQM-GVDBMIGSSA-N	1	0	366.506	1.200	20	30		FDEDRO
Cc1noc([C@@H]2CN(C(=O)NC3CC[NH+](CC4CC4)CC3)CCN2C)n1	ZINC000329141780	824625281	/nfs/dbraw/zinc/62/52/81/824625281.db2.gz	ULJHXBVHTZTVMR-INIZCTEOSA-N	1	0	362.478	1.455	20	30		FDEDRO
CN1C(=O)N[C@@H]2CN(C(=O)NC3CC[NH+](Cc4ccncc4)CC3)CC[C@@H]21	ZINC000329140903	824625337	/nfs/dbraw/zinc/62/53/37/824625337.db2.gz	TYFAAOGDDMZMBC-SJORKVTESA-N	1	0	372.473	1.262	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)c3cnc4ccccc4n3)CC2)C1=O	ZINC000329157340	824633293	/nfs/dbraw/zinc/63/32/93/824633293.db2.gz	DDNBWABWGOBWCX-KRWDZBQOSA-N	1	0	353.426	1.630	20	30		FDEDRO
CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CCCn3nc(C)nc32)C1	ZINC000329190031	824658863	/nfs/dbraw/zinc/65/88/63/824658863.db2.gz	PYSDTVKYNAHUGQ-HRCADAONSA-N	1	0	362.478	1.521	20	30		FDEDRO
CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C([O-])=[NH+][C@@H]2CCc3nc(C)nn3C2)C1	ZINC000329190657	824659060	/nfs/dbraw/zinc/65/90/60/824659060.db2.gz	QDJCRHCEQQZRLL-PMPSAXMXSA-N	1	0	362.478	1.000	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)Cc3ccc4c(c3)OCCO4)CC2)C1=O	ZINC000329193441	824660446	/nfs/dbraw/zinc/66/04/46/824660446.db2.gz	SLTPFIZLYWPGQZ-INIZCTEOSA-N	1	0	373.453	1.652	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)C3(C(=O)N(C)C)CC3)cn2)CC1	ZINC000329238567	824687171	/nfs/dbraw/zinc/68/71/71/824687171.db2.gz	LFUGQLMYEKUGDA-UHFFFAOYSA-N	1	0	359.474	1.548	20	30		FDEDRO
CN(C)c1nccc([C@@H]2CN(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CCO2)n1	ZINC000329279073	824709472	/nfs/dbraw/zinc/70/94/72/824709472.db2.gz	DDRJTBIWYYUIFI-BBRMVZONSA-N	1	0	360.462	1.067	20	30		FDEDRO
Cc1nc([C@@H]2CCCN2C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)no1	ZINC000329343613	824747070	/nfs/dbraw/zinc/74/70/70/824747070.db2.gz	BJMYPGOKAUSKTO-OWCLPIDISA-N	1	0	363.462	1.807	20	30		FDEDRO
CC(C)c1nnc2n1C[C@H]([NH+]=C([O-])N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)CC2	ZINC000329393679	824768944	/nfs/dbraw/zinc/76/89/44/824768944.db2.gz	UVIBQKONJPTPQD-SOUVJXGZSA-N	1	0	364.494	1.017	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2c(C)nnn2CC)C1	ZINC001029847305	828682951	/nfs/dbraw/zinc/68/29/51/828682951.db2.gz	QRLMTSCYDXTIPA-JZXOWHBKSA-N	1	0	361.490	1.478	20	30		FDEDRO
CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000329405972	824773763	/nfs/dbraw/zinc/77/37/63/824773763.db2.gz	BUVHOWHEVKOQAQ-IGKNDFSCSA-N	1	0	363.502	1.901	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)CC1	ZINC000329433236	824786196	/nfs/dbraw/zinc/78/61/96/824786196.db2.gz	IDRGZMVGBIQXAI-SJLPKXTDSA-N	1	0	359.474	1.937	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)N2CCOCC3(CC3)C2)CC1	ZINC000329489873	824830431	/nfs/dbraw/zinc/83/04/31/824830431.db2.gz	YPTJOVZKPPUAND-UHFFFAOYSA-N	1	0	359.474	1.360	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3ccn(C)c3)[C@H]2CC)CC1	ZINC000984772809	824838961	/nfs/dbraw/zinc/83/89/61/824838961.db2.gz	VSJABSPJULXNEQ-RBUKOAKNSA-N	1	0	370.497	1.480	20	30		FDEDRO
Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCO[C@H](C3CC3)C2)CCC[N@@H+]1C	ZINC000329518787	824845385	/nfs/dbraw/zinc/84/53/85/824845385.db2.gz	ZMXCYHUBNSSPEY-RYQLBKOJSA-N	1	0	361.490	1.828	20	30		FDEDRO
CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000329528317	824854033	/nfs/dbraw/zinc/85/40/33/824854033.db2.gz	UNZZDBVBKUAXCZ-DLBZAZTESA-N	1	0	365.522	1.854	20	30		FDEDRO
CC(C)N1C[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1=O	ZINC000329585382	824903693	/nfs/dbraw/zinc/90/36/93/824903693.db2.gz	YDCKUIHPLFZXCN-BRWVUGGUSA-N	1	0	366.506	1.267	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)CC1CC[NH+](C)CC1	ZINC000984790845	824921458	/nfs/dbraw/zinc/92/14/58/824921458.db2.gz	ZQUQIBIBPOWGIK-ZWKOTPCHSA-N	1	0	371.485	1.728	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)n3nnnc3C(C)(C)C)C[C@@H]2C1	ZINC001087989703	824929809	/nfs/dbraw/zinc/92/98/09/824929809.db2.gz	SPDLDVGBEOBVHI-OAGGEKHMSA-N	1	0	358.490	1.335	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCS3(=O)=O)C[C@@H]2C1	ZINC001087992527	824954064	/nfs/dbraw/zinc/95/40/64/824954064.db2.gz	YRMQNCVLMAQZOA-IKGGRYGDSA-N	1	0	354.516	1.700	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC([N@H+](C)Cc2ccc(C#N)cc2)CC1	ZINC000985648719	828727129	/nfs/dbraw/zinc/72/71/29/828727129.db2.gz	XSCSTXLQHAUNLL-MOPGFXCFSA-N	1	0	368.481	1.705	20	30		FDEDRO
CCN1CC[N@H+](CCC(=O)Nc2ccccc2C#N)C[C@H]1c1ncc[nH]1	ZINC000525827434	828728333	/nfs/dbraw/zinc/72/83/33/828728333.db2.gz	OMAUPWDECHBREH-KRWDZBQOSA-N	1	0	352.442	1.989	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3c3ncccn3)C[C@@H]2C1	ZINC001088000277	825060513	/nfs/dbraw/zinc/06/05/13/825060513.db2.gz	XXODMGGIBUACMC-FGTMMUONSA-N	1	0	353.470	1.249	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001087998341	825078615	/nfs/dbraw/zinc/07/86/15/825078615.db2.gz	CTWNMHBMNDFNLG-NRDMVMEKSA-N	1	0	368.477	1.622	20	30		FDEDRO
Cc1cccc(NC(=O)NCC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1	ZINC000329630797	825083024	/nfs/dbraw/zinc/08/30/24/825083024.db2.gz	VPMCVSWYICOEOY-MRXNPFEDSA-N	1	0	360.458	1.502	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4(C5CC5)CC4)C[C@@H]3C2)C1=O	ZINC001088005713	825125680	/nfs/dbraw/zinc/12/56/80/825125680.db2.gz	PZMJBHSQCMCLAQ-RYRKJORJSA-N	1	0	357.498	1.744	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H]2C[N@H+]([C@H](C)C(N)=O)CC[C@@H]2C1	ZINC001088016593	825272992	/nfs/dbraw/zinc/27/29/92/825272992.db2.gz	MXPOTRMNEZRZIV-OAGGEKHMSA-N	1	0	357.454	1.519	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4(F)CCCC4)C[C@@H]3C2)C1=O	ZINC001088020549	825316682	/nfs/dbraw/zinc/31/66/82/825316682.db2.gz	QKACNRHNVCYBJS-IXDOHACOSA-N	1	0	363.477	1.836	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1C#N	ZINC000439596142	825359713	/nfs/dbraw/zinc/35/97/13/825359713.db2.gz	LCCUIQDRHOVMFD-QGZVFWFLSA-N	1	0	370.453	1.979	20	30		FDEDRO
Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+](C2CCCC2)CC1	ZINC000329720997	825381802	/nfs/dbraw/zinc/38/18/02/825381802.db2.gz	DTFHYGNVJBRUFH-MAUKXSAKSA-N	1	0	361.490	1.972	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CCNC(=O)CC2)C1	ZINC000984916708	825429456	/nfs/dbraw/zinc/42/94/56/825429456.db2.gz	KROKDIGVPMXYPO-WSRJKRBPSA-N	1	0	363.502	1.368	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cn(C(C)C)nn2)C1	ZINC000984918512	825458182	/nfs/dbraw/zinc/45/81/82/825458182.db2.gz	AACDETHWHXONJL-LAQRGFTBSA-N	1	0	361.490	1.825	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnc(C)n2CC)C1	ZINC000984918627	825458933	/nfs/dbraw/zinc/45/89/33/825458933.db2.gz	AXTQUTHFVNDCET-OVWQWFNUSA-N	1	0	361.490	1.572	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(C(N)=O)c2)C1	ZINC000984918644	825458965	/nfs/dbraw/zinc/45/89/65/825458965.db2.gz	BIHRKBNSNKXJEZ-WNHJNPCNSA-N	1	0	371.481	1.751	20	30		FDEDRO
CO[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)C[C@H]1NC(=O)CSCC#N	ZINC001211888661	825516280	/nfs/dbraw/zinc/51/62/80/825516280.db2.gz	HZTFTQSRZKNNRO-QZTJIDSGSA-N	1	0	370.478	1.807	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H](NC(=O)N(C)C[C@@H]2C[C@H](F)CN2c2ccncn2)C1	ZINC000329892617	825525784	/nfs/dbraw/zinc/52/57/84/825525784.db2.gz	AHXRZOIKIKWIRJ-XHSDSOJGSA-N	1	0	364.469	1.724	20	30		FDEDRO
CCN1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1c1ncc[nH]1	ZINC000329900230	825534742	/nfs/dbraw/zinc/53/47/42/825534742.db2.gz	FZYVEAKGYHIRTK-KRWDZBQOSA-N	1	0	360.506	1.672	20	30		FDEDRO
CC(=O)N(C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001111602418	828794029	/nfs/dbraw/zinc/79/40/29/828794029.db2.gz	BDPRLQTUGKJDMH-ICSRJNTNSA-N	1	0	354.454	1.507	20	30		FDEDRO
CCN1CCN(C(=O)NC2CC[NH+](CCOC)CC2)C[C@@H]1c1ncc[nH]1	ZINC000329938694	825553230	/nfs/dbraw/zinc/55/32/30/825553230.db2.gz	AMVRZXHXDMIANX-MRXNPFEDSA-N	1	0	364.494	1.113	20	30		FDEDRO
CC(C)(O)C[NH+]1CCN(C(=O)Nc2ccccc2O[C@H]2CCOC2)CC1	ZINC000329955225	825562005	/nfs/dbraw/zinc/56/20/05/825562005.db2.gz	OFORNRIWVBDUKQ-HNNXBMFYSA-N	1	0	363.458	1.788	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(CC(=O)Nc3ccc4c(c3)OCO4)C2)CC1	ZINC000329953297	825562037	/nfs/dbraw/zinc/56/20/37/825562037.db2.gz	NTRATAUHCSEGNZ-INIZCTEOSA-N	1	0	360.458	1.715	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(N(C)Cc2nnc(C)s2)CC1	ZINC000985656721	828798347	/nfs/dbraw/zinc/79/83/47/828798347.db2.gz	FVNZUTAGHLYEQP-CABCVRRESA-N	1	0	350.488	1.860	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(Cn4ccnn4)o3)C[C@@H]2C1	ZINC001088049492	825593672	/nfs/dbraw/zinc/59/36/72/825593672.db2.gz	LACKWFTXONTMSY-CVEARBPZSA-N	1	0	353.426	1.337	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCc3c(ncn(C)c3=O)C2)C1	ZINC000330048648	825609972	/nfs/dbraw/zinc/60/99/72/825609972.db2.gz	ISWKJNKKMKAMCO-HNNXBMFYSA-N	1	0	361.490	1.420	20	30		FDEDRO
C[NH+]1CCN(Cc2cccc(NC(=O)c3cn([C@@H]4CCOC4)nn3)c2)CC1	ZINC000330050934	825611931	/nfs/dbraw/zinc/61/19/31/825611931.db2.gz	MPTLBVGLMZQUPH-QGZVFWFLSA-N	1	0	370.457	1.623	20	30		FDEDRO
Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cn1	ZINC000330053422	825612448	/nfs/dbraw/zinc/61/24/48/825612448.db2.gz	QKDLXHVSUGRZFI-KYJSFNMBSA-N	1	0	374.489	1.912	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cnnn4)cn3)C[C@@H]2C1	ZINC001088052410	825631696	/nfs/dbraw/zinc/63/16/96/825631696.db2.gz	PIIZETKOAKSOQG-CVEARBPZSA-N	1	0	367.457	1.417	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)CC[N@@H+]1C	ZINC000330145111	825674679	/nfs/dbraw/zinc/67/46/79/825674679.db2.gz	HENHGMGOVHNTTM-SJORKVTESA-N	1	0	373.501	1.950	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3cn4cc(F)ccc4n3)C[C@@H]2C1	ZINC001088056587	825702911	/nfs/dbraw/zinc/70/29/11/825702911.db2.gz	FKTNLLJUSFXBRA-CVEARBPZSA-N	1	0	354.429	1.820	20	30		FDEDRO
CNC(=O)c1ccc(CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1	ZINC000330188580	825711522	/nfs/dbraw/zinc/71/15/22/825711522.db2.gz	LGRSJTVVNRAXNR-INIZCTEOSA-N	1	0	360.458	1.114	20	30		FDEDRO
CC(C)N1C[C@H](NC(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC1=O	ZINC000330259460	825771425	/nfs/dbraw/zinc/77/14/25/825771425.db2.gz	SBVWOUXFKYBRAW-IAGOWNOFSA-N	1	0	365.522	1.012	20	30		FDEDRO
C[C@@H]1C[NH+](C[C@@H]2CCCN2C([O-])=[NH+][C@@H]2CCn3ccnc3C2)C[C@@H](C)O1	ZINC000330267910	825782730	/nfs/dbraw/zinc/78/27/30/825782730.db2.gz	IIVOXOYNFJQIPW-VQHPVUNQSA-N	1	0	361.490	1.686	20	30		FDEDRO
CN1CC[NH+](CC2(C)CCN(C(=O)N[C@H]3CCn4ccnc4C3)CC2)CC1	ZINC000330279287	825786522	/nfs/dbraw/zinc/78/65/22/825786522.db2.gz	QUZIGPRQAKWDBW-KRWDZBQOSA-N	1	0	374.533	1.461	20	30		FDEDRO
N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCNC4=O)C[C@@H]3C2)c1	ZINC001088065035	825789126	/nfs/dbraw/zinc/78/91/26/825789126.db2.gz	FPFOJEGUFLXNJP-HYVNUMGLSA-N	1	0	370.428	1.114	20	30		FDEDRO
Cc1cnn(-c2c(C(=O)NC[C@@H](O)C[NH+]3CCC(C)CC3)c(C)nn2C)c1	ZINC000330302798	825863502	/nfs/dbraw/zinc/86/35/02/825863502.db2.gz	JOBZOWNPXFBQEU-MRXNPFEDSA-N	1	0	374.489	1.620	20	30		FDEDRO
C=CCN1CC[C@H](N(C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1=O	ZINC000281273794	825924826	/nfs/dbraw/zinc/92/48/26/825924826.db2.gz	IDLOKMOQLYTVKY-ROUUACIJSA-N	1	0	358.486	1.124	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCCNC1=O	ZINC001029508638	825889728	/nfs/dbraw/zinc/88/97/28/825889728.db2.gz	NBUOVUKIFHCVQQ-RZFLPCETSA-N	1	0	361.486	1.312	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCN(C)C1=O	ZINC001029508873	825898722	/nfs/dbraw/zinc/89/87/22/825898722.db2.gz	SGCCNJMTQKBWIU-ADHGMGHFSA-N	1	0	361.486	1.264	20	30		FDEDRO
C=CCOc1cccc(CN(CCN2CC[NH+](C)CC2)CC(=O)OC)c1	ZINC000281313461	825933643	/nfs/dbraw/zinc/93/36/43/825933643.db2.gz	QPUZXHVTBVDTJZ-UHFFFAOYSA-N	1	0	361.486	1.474	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CC[C@@H]1CC[C@@H](C2OCCO2)O1	ZINC000896891778	825958870	/nfs/dbraw/zinc/95/88/70/825958870.db2.gz	ZLOCFJIRLJDVEH-HOTGVXAUSA-N	1	0	353.463	1.381	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1CC	ZINC000984986098	825985072	/nfs/dbraw/zinc/98/50/72/825985072.db2.gz	FCCPRPKSZDDKOB-CGTJXYLNSA-N	1	0	371.485	1.870	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cc(C)co4)C[C@@H]3C2)C1=O	ZINC001088075344	825991696	/nfs/dbraw/zinc/99/16/96/825991696.db2.gz	FOTTWAWCYRUZPN-IXDOHACOSA-N	1	0	357.454	1.769	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)C(C)(C)F)[C@@H]2CC)CC1	ZINC000984990314	826021386	/nfs/dbraw/zinc/02/13/86/826021386.db2.gz	ADJODKFOFQSVST-JKSUJKDBSA-N	1	0	351.466	1.575	20	30		FDEDRO
COCC[N@@H+]1CCCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1	ZINC000281597121	826072495	/nfs/dbraw/zinc/07/24/95/826072495.db2.gz	LZQRAJCKKMRFAM-UHFFFAOYSA-N	1	0	353.426	1.538	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C	ZINC000281829326	826262826	/nfs/dbraw/zinc/26/28/26/826262826.db2.gz	PTIUSBHGTAFXBD-FUHWJXTLSA-N	1	0	359.470	1.827	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn(C)nc1C(F)(F)F)C2	ZINC001112536590	826386614	/nfs/dbraw/zinc/38/66/14/826386614.db2.gz	PTIIEHZJAMKOCC-LRDDRELGSA-N	1	0	354.376	1.904	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H]3C[N@@H+](C[C@H]4CCc5ncnn54)CC[C@@H]3C2)C1	ZINC001088098683	826392386	/nfs/dbraw/zinc/39/23/86/826392386.db2.gz	WOWPULBGHPVYGF-IXDOHACOSA-N	1	0	355.486	1.902	20	30		FDEDRO
CO[C@@H]1C[N@H+](Cc2cc(C)sc2C)C[C@H]1NC(=O)CSCC#N	ZINC001211892040	826413062	/nfs/dbraw/zinc/41/30/62/826413062.db2.gz	ZXGLNXVICAMBJS-HUUCEWRRSA-N	1	0	353.513	1.937	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(N4CCCC4)ncn3)C[C@@H]2C1	ZINC001088106587	826419536	/nfs/dbraw/zinc/41/95/36/826419536.db2.gz	IJDVIWIXRVBDQD-SJORKVTESA-N	1	0	353.470	1.494	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4cnc(C)nc4)CC[C@@H]3C2)nn1	ZINC001088132910	826571030	/nfs/dbraw/zinc/57/10/30/826571030.db2.gz	KMFZXBUQJSLQFT-SJORKVTESA-N	1	0	367.457	1.157	20	30		FDEDRO
CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)s4)CC[C@@H]3C2)nn1	ZINC001088154675	826879819	/nfs/dbraw/zinc/87/98/19/826879819.db2.gz	APJCUBPJDAGEDN-KGLIPLIRSA-N	1	0	370.482	1.825	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c([nH]c3=O)CCOC4)C[C@@H]2C1	ZINC001088166414	826949263	/nfs/dbraw/zinc/94/92/63/826949263.db2.gz	AALDERMKQZQNKK-ZBFHGGJFSA-N	1	0	355.438	1.277	20	30		FDEDRO
COCCOCc1cc(C#N)ccc1N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000897220479	827169436	/nfs/dbraw/zinc/16/94/36/827169436.db2.gz	WRLWTGKOSNOCKU-UXHICEINSA-N	1	0	359.470	1.757	20	30		FDEDRO
N#Cc1ncc(Br)cc1N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO	ZINC000897221319	827185234	/nfs/dbraw/zinc/18/52/34/827185234.db2.gz	LJIYTRVHARQUPM-KBPBESRZSA-N	1	0	351.248	1.751	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CCN4CCCC4=O)CC[C@@H]3C2)cn1	ZINC001088175348	827224989	/nfs/dbraw/zinc/22/49/89/827224989.db2.gz	RLUZXHJMIKGILZ-MSOLQXFVSA-N	1	0	366.465	1.079	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c(c3)[nH]c(=O)n4C)C[C@@H]2C1	ZINC001088213093	827508246	/nfs/dbraw/zinc/50/82/46/827508246.db2.gz	JYFLXUDHGNTMHU-CVEARBPZSA-N	1	0	352.438	1.696	20	30		FDEDRO
C=C(Cl)CN1CC[C@@H]2CN(C(=O)Cc3ccc(C(N)=O)cc3)C[C@@H]2C1	ZINC001088216316	827525164	/nfs/dbraw/zinc/52/51/64/827525164.db2.gz	AYDWJHOXFUCRIJ-SJORKVTESA-N	1	0	361.873	1.861	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)C1	ZINC001088235265	827605080	/nfs/dbraw/zinc/60/50/80/827605080.db2.gz	NMBXCGXUVYURCD-LWYYNNOASA-N	1	0	360.498	1.764	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C)C1	ZINC000987546930	833225661	/nfs/dbraw/zinc/22/56/61/833225661.db2.gz	SFXCVHNCYDICRE-OIISXLGYSA-N	1	0	371.485	1.728	20	30		FDEDRO
N#Cc1c2ccccc2[nH]c1C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1	ZINC000897295249	827768120	/nfs/dbraw/zinc/76/81/20/827768120.db2.gz	NZPFVSRBOHYGAQ-UHFFFAOYSA-N	1	0	368.437	1.339	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2CC)c1	ZINC000985432827	827807669	/nfs/dbraw/zinc/80/76/69/827807669.db2.gz	GEMSOSDFFPEZTN-AYOQOUSVSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)C(=O)NC(N)=O)C1	ZINC001112537204	833254026	/nfs/dbraw/zinc/25/40/26/833254026.db2.gz	VETNTWCUDXCZBT-NJSLBKSFSA-N	1	0	364.490	1.390	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](C)N2CCc3ccccc32)CC1	ZINC000303888706	827939664	/nfs/dbraw/zinc/93/96/64/827939664.db2.gz	PAFHZFFKXMFCJO-OAHLLOKOSA-N	1	0	373.501	1.963	20	30		FDEDRO
CN1C[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)CC1=O	ZINC001075856017	827942168	/nfs/dbraw/zinc/94/21/68/827942168.db2.gz	ZMCSWUWEGGWLIP-OKZBNKHCSA-N	1	0	352.438	1.069	20	30		FDEDRO
N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=[NH2+])NCC1CCC1	ZINC000303991573	827952266	/nfs/dbraw/zinc/95/22/66/827952266.db2.gz	ZRQLCNKCIIVIJM-UHFFFAOYSA-N	1	0	351.458	1.963	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+](C)C2CCN(C(=O)[C@H]3OCC[C@H]3CC)CC2)C1=O	ZINC000985482046	827986205	/nfs/dbraw/zinc/98/62/05/827986205.db2.gz	SUUQPRUYIAVRNM-NJAFHUGGSA-N	1	0	363.502	1.511	20	30		FDEDRO
Cn1cc([C@@H]2C[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C[C@H]2CO)cn1	ZINC000444751494	828188683	/nfs/dbraw/zinc/18/86/83/828188683.db2.gz	DBKMLOKNNMPKES-IRXDYDNUSA-N	1	0	364.409	1.550	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2cc3n(n2)CCC3)CC1	ZINC000985662430	828864533	/nfs/dbraw/zinc/86/45/33/828864533.db2.gz	VSRZQYFFCMRSGB-MOPGFXCFSA-N	1	0	358.486	1.843	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]C[C@H]1COc2ccccc2O1	ZINC001168100768	829202334	/nfs/dbraw/zinc/20/23/34/829202334.db2.gz	GVJLZPKVVDWXTO-BXWFABGCSA-N	1	0	360.454	1.904	20	30		FDEDRO
Cn1c(C#N)ccc1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000448686031	829216668	/nfs/dbraw/zinc/21/66/68/829216668.db2.gz	FDCUZSJPRILKII-UHFFFAOYSA-N	1	0	351.454	1.839	20	30		FDEDRO
C[C@H]1C[C@]1(C#N)C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1	ZINC000448956287	829311033	/nfs/dbraw/zinc/31/10/33/829311033.db2.gz	YZRZBCAZPKUNHF-MGPUTAFESA-N	1	0	354.454	1.678	20	30		FDEDRO
O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2CC#CCN2C(=O)c3ccccc3C2=O)CN1	ZINC000528431309	829400815	/nfs/dbraw/zinc/40/08/15/829400815.db2.gz	VMZRQVNOSRTROW-QAPCUYQASA-N	1	0	365.433	1.277	20	30		FDEDRO
Cn1nccc1[C@@H](O)C1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1	ZINC000528563377	829447070	/nfs/dbraw/zinc/44/70/70/829447070.db2.gz	AYCGNRJTIHZNIM-XLIONFOSSA-N	1	0	370.453	1.477	20	30		FDEDRO
N#Cc1ccc(CC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cn1	ZINC000528569121	829458448	/nfs/dbraw/zinc/45/84/48/829458448.db2.gz	QVFPHTXKEYJZRI-UHFFFAOYSA-N	1	0	364.449	1.769	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@H+]2CC3(CCOCC3)CC[C@H]2CO)cc1	ZINC000528641577	829481434	/nfs/dbraw/zinc/48/14/34/829481434.db2.gz	ULTBPWUCDKTUCS-OALUTQOASA-N	1	0	374.481	1.746	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1	ZINC000528688154	829520114	/nfs/dbraw/zinc/52/01/14/829520114.db2.gz	IJQLZUGHGNZCQY-UHFFFAOYSA-N	1	0	371.485	1.980	20	30		FDEDRO
C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)Cc3ccc(C#N)nc3)nc2)C1	ZINC000528873967	829597050	/nfs/dbraw/zinc/59/70/50/829597050.db2.gz	QAYYJUBOVLYSQD-KRWDZBQOSA-N	1	0	350.426	1.670	20	30		FDEDRO
C[C@H]1C[C@]1(C#N)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1	ZINC000449914181	829724909	/nfs/dbraw/zinc/72/49/09/829724909.db2.gz	TYYRAMGTLLLRKV-OXJNMPFZSA-N	1	0	356.470	1.825	20	30		FDEDRO
N#C[C@H]1CN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CCN1Cc1ccccc1	ZINC000529358906	829844542	/nfs/dbraw/zinc/84/45/42/829844542.db2.gz	JAQONCGGCPHMTI-ROUUACIJSA-N	1	0	353.470	1.691	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)NC[C@@H]3COCC[NH2+]3)CC2)c(F)c1	ZINC000529388407	829861784	/nfs/dbraw/zinc/86/17/84/829861784.db2.gz	SSLYREFISIJEMG-CQSZACIVSA-N	1	0	362.405	1.239	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)/C=C\C4CC4)C[C@@H]3C2)CC1	ZINC000985876727	829953807	/nfs/dbraw/zinc/95/38/07/829953807.db2.gz	OPVYJNCSEBKDFF-XSXCZSQGSA-N	1	0	369.509	1.605	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H](C)C4CC4)C[C@@H]3C2)CC1	ZINC000985902971	830036899	/nfs/dbraw/zinc/03/68/99/830036899.db2.gz	XDNLYTLVFOVJNI-DBVUQKKJSA-N	1	0	371.525	1.685	20	30		FDEDRO
C[NH+]=C(NCc1cccc(N2CC=CC2)c1)N1CCN(C2CC2)C(=O)C1	ZINC000262675807	830047150	/nfs/dbraw/zinc/04/71/50/830047150.db2.gz	QXZFYXITRBNKAC-UHFFFAOYSA-N	1	0	353.470	1.445	20	30		FDEDRO
Cc1[nH]c(C#N)cc1C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000450825965	830138527	/nfs/dbraw/zinc/13/85/27/830138527.db2.gz	ZKAWZWWDDXRVOQ-HXUWFJFHSA-N	1	0	352.438	1.904	20	30		FDEDRO
Cc1nc2n(n1)C[C@@H](NC(NCCc1ccco1)=[NH+]C1CCOCC1)CC2	ZINC000262694411	830223798	/nfs/dbraw/zinc/22/37/98/830223798.db2.gz	WZQXIVUMBPTJDJ-INIZCTEOSA-N	1	0	372.473	1.451	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]3C2)C1	ZINC000985974110	830224880	/nfs/dbraw/zinc/22/48/80/830224880.db2.gz	BUGCBYPZOVLTML-XHSDSOJGSA-N	1	0	369.469	1.149	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]3C2)C1	ZINC000985979435	830231051	/nfs/dbraw/zinc/23/10/51/830231051.db2.gz	LIMXNDVFYVEBOM-INMHGKMJSA-N	1	0	369.469	1.149	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000451599460	830405329	/nfs/dbraw/zinc/40/53/29/830405329.db2.gz	OCKOSSKDZSPBJK-SQNIBIBYSA-N	1	0	371.437	1.301	20	30		FDEDRO
CC(C)(C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1O)[NH+]1CCCCC1	ZINC001083460765	837454723	/nfs/dbraw/zinc/45/47/23/837454723.db2.gz	XUDSKRWMSFTKHC-MOPGFXCFSA-N	1	0	370.497	1.484	20	30		FDEDRO
CN(C)C(=O)N[C@@H]1CCCN(CC(=O)N(CCC#N)c2ccccc2)C1	ZINC000451989135	830485234	/nfs/dbraw/zinc/48/52/34/830485234.db2.gz	HTDQFCQBLLUVIR-MRXNPFEDSA-N	1	0	357.458	1.669	20	30		FDEDRO
CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000451976729	830490516	/nfs/dbraw/zinc/49/05/16/830490516.db2.gz	CDCRYYZGJDCKHQ-SFHVURJKSA-N	1	0	360.502	1.304	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]2C1	ZINC000986077011	830543469	/nfs/dbraw/zinc/54/34/69/830543469.db2.gz	ALROUXRTNGUKLA-MSOLQXFVSA-N	1	0	355.482	1.335	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)CC[N@@H+]1C	ZINC000986081082	830566421	/nfs/dbraw/zinc/56/64/21/830566421.db2.gz	AGUBFCITMCMVPN-YDZRNGNQSA-N	1	0	357.498	1.437	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)C1	ZINC000986085154	830603655	/nfs/dbraw/zinc/60/36/55/830603655.db2.gz	YYHZZHJTXSFBCH-AQNXPRMDSA-N	1	0	371.525	1.685	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1	ZINC000986084336	830606080	/nfs/dbraw/zinc/60/60/80/830606080.db2.gz	SRARIMAIARAPFM-AABGKKOBSA-N	1	0	371.525	1.970	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)ccc1C#N	ZINC000453615831	830969179	/nfs/dbraw/zinc/96/91/79/830969179.db2.gz	WFHYHOVLJMXUBW-UHFFFAOYSA-N	1	0	357.458	1.971	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c1	ZINC000453630522	830987476	/nfs/dbraw/zinc/98/74/76/830987476.db2.gz	RGVIGVGAMCJLBC-QGZVFWFLSA-N	1	0	358.442	1.374	20	30		FDEDRO
N#CCN1CCC(CNC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1	ZINC000532301453	831121744	/nfs/dbraw/zinc/12/17/44/831121744.db2.gz	JPMBTGLKSHTAMW-IBGZPJMESA-N	1	0	355.486	1.645	20	30		FDEDRO
CC#CC[N@@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001029921706	831238567	/nfs/dbraw/zinc/23/85/67/831238567.db2.gz	PPCYSFTVDNGNJP-QRVBRYPASA-N	1	0	353.466	1.624	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](CCNC(=O)CC[N@@H+](C)CC)C1	ZINC001059724980	831840384	/nfs/dbraw/zinc/84/03/84/831840384.db2.gz	FETMMFJACNWHMR-AOIWGVFYSA-N	1	0	365.518	1.664	20	30		FDEDRO
[NH2+]=C(NCCN1C(=O)c2ccccc2C1=O)N[C@@H]1CCOc2ccccc21	ZINC000262425047	837582677	/nfs/dbraw/zinc/58/26/77/837582677.db2.gz	BBUKFZGSEGVIEZ-MRXNPFEDSA-N	1	0	364.405	1.711	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@H](C)C[C@H](C)[C@@H]3C)CC2)o1	ZINC000475729008	831934932	/nfs/dbraw/zinc/93/49/32/831934932.db2.gz	DMPMHNHKCDKSDQ-ILXRZTDVSA-N	1	0	359.474	1.870	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)CCC)C[C@H]1C(F)(F)F	ZINC001112207691	831937044	/nfs/dbraw/zinc/93/70/44/831937044.db2.gz	AWKUZSGQQODEFL-VXGBXAGGSA-N	1	0	356.410	1.366	20	30		FDEDRO
C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1	ZINC000986827780	832279526	/nfs/dbraw/zinc/27/95/26/832279526.db2.gz	JLPFCDIFLUPQLJ-JJRVBVJISA-N	1	0	371.485	1.583	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C[C@H](O)c1ccccc1F	ZINC001088530278	832462927	/nfs/dbraw/zinc/46/29/27/832462927.db2.gz	KIBDHLXZMXUBOB-UUWFMWQGSA-N	1	0	356.401	1.952	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1ccc2nonc2c1	ZINC001088533758	832489020	/nfs/dbraw/zinc/48/90/20/832489020.db2.gz	ICSKXWSGVUYLHL-ABAIWWIYSA-N	1	0	350.382	1.815	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](CCNC(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC001059787536	832733527	/nfs/dbraw/zinc/73/35/27/832733527.db2.gz	VPDAZQRBPQVSFK-LSTHTHJFSA-N	1	0	371.525	1.733	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1	ZINC000666431507	833611242	/nfs/dbraw/zinc/61/12/42/833611242.db2.gz	UDRCPEZJCXZFNR-FQEVSTJZSA-N	1	0	372.513	1.521	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)C3CC(C)(C)C3)[C@H]2C)CC1	ZINC000987813071	833675839	/nfs/dbraw/zinc/67/58/39/833675839.db2.gz	YIBNAHHKOMDMRI-QAPCUYQASA-N	1	0	359.514	1.873	20	30		FDEDRO
C[C@H]1CC[N@H+](CCNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1	ZINC000897435455	833789879	/nfs/dbraw/zinc/78/98/79/833789879.db2.gz	MJHHOJJFNYGXHM-HKUYNNGSSA-N	1	0	355.486	1.748	20	30		FDEDRO
C=CCOCCCNC(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1	ZINC000666514520	833875429	/nfs/dbraw/zinc/87/54/29/833875429.db2.gz	BWISOPZEYMUFQU-UHFFFAOYSA-N	1	0	352.523	1.781	20	30		FDEDRO
CCn1ncc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)[C@@H]2C)n1	ZINC001088555034	833930059	/nfs/dbraw/zinc/93/00/59/833930059.db2.gz	PULHIYUJTCWBMN-PBHICJAKSA-N	1	0	368.441	1.593	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1	ZINC000988077471	834050992	/nfs/dbraw/zinc/05/09/92/834050992.db2.gz	OGWZNJZYTYVWCF-JQHSSLGASA-N	1	0	363.502	1.369	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cnc(C5CC5)o4)[C@@H]3C2)C1=O	ZINC001075898418	834327107	/nfs/dbraw/zinc/32/71/07/834327107.db2.gz	QACZRJIHUFCNDV-ARFHVFGLSA-N	1	0	370.453	1.485	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000988475906	835299839	/nfs/dbraw/zinc/29/98/39/835299839.db2.gz	HICIJUGJEFQKRY-KURKYZTESA-N	1	0	363.502	1.369	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2(c3cccc(C#N)c3)CC2)CC1	ZINC000532938048	835583924	/nfs/dbraw/zinc/58/39/24/835583924.db2.gz	DFFHLVDJNNOSBP-SFHVURJKSA-N	1	0	366.465	1.355	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3CCC)[C@H]2C)cn1	ZINC000988500179	835595267	/nfs/dbraw/zinc/59/52/67/835595267.db2.gz	XSNREAQMWSRIHN-MNEFBYGVSA-N	1	0	368.481	1.657	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3cccc(C)n3)[C@@H]2C)CC1	ZINC000988508115	835664046	/nfs/dbraw/zinc/66/40/46/835664046.db2.gz	ZOCMUODWRIPHCC-AEFFLSMTSA-N	1	0	368.481	1.454	20	30		FDEDRO
CC(C)N1C[C@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)CC1=O	ZINC001088601607	835945062	/nfs/dbraw/zinc/94/50/62/835945062.db2.gz	GXGQCVLJJFCRBT-LZQZEXGQSA-N	1	0	368.481	1.894	20	30		FDEDRO
COCC(COC)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000455409262	836045570	/nfs/dbraw/zinc/04/55/70/836045570.db2.gz	YJVMOFBDVOMEPK-UHFFFAOYSA-N	1	0	360.458	1.437	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C)sn2)[C@@H]1C	ZINC000988738343	836943204	/nfs/dbraw/zinc/94/32/04/836943204.db2.gz	NBBVGBFPJDBCFW-YCPHGPKFSA-N	1	0	360.483	1.268	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1	ZINC000938021526	836975548	/nfs/dbraw/zinc/97/55/48/836975548.db2.gz	JRPAMBGZBXVUNG-ULQDDVLXSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1	ZINC000938033720	837063056	/nfs/dbraw/zinc/06/30/56/837063056.db2.gz	LQTJWVWZOZJTLM-BBWFWOEESA-N	1	0	363.502	1.417	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)cn1	ZINC000988776430	837244791	/nfs/dbraw/zinc/24/47/91/837244791.db2.gz	TZPHBVORFZCNNG-KDOFPFPSSA-N	1	0	354.454	1.124	20	30		FDEDRO
C[NH+]=C(NCC(=O)N1CCc2ccccc2C1)N[C@@H]1C[C@@H](OC)C1(C)C	ZINC000261794308	837302598	/nfs/dbraw/zinc/30/25/98/837302598.db2.gz	RDMYMONDALZONB-IAGOWNOFSA-N	1	0	358.486	1.550	20	30		FDEDRO
C[NH+]=C(NC[C@H](O)c1cccc(F)c1)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000261942909	837367424	/nfs/dbraw/zinc/36/74/24/837367424.db2.gz	MXUBJOMTZOABRH-INIZCTEOSA-N	1	0	364.465	1.766	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCC(=O)N2C)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088790529	844289781	/nfs/dbraw/zinc/28/97/81/844289781.db2.gz	OZPQYLHNVUPCCF-JLSDUUJJSA-N	1	0	354.454	1.648	20	30		FDEDRO
C[C@@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1)C(=O)NCC[NH+]1CCCCC1	ZINC000508715462	838392496	/nfs/dbraw/zinc/39/24/96/838392496.db2.gz	CJHXTLCEXVPNDM-CVEARBPZSA-N	1	0	372.469	1.432	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2C(=O)OC)CC1	ZINC000272797255	838449652	/nfs/dbraw/zinc/44/96/52/838449652.db2.gz	CXNVDIVBLQESQC-UHFFFAOYSA-N	1	0	359.426	1.568	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C)nc1	ZINC000989164614	838537115	/nfs/dbraw/zinc/53/71/15/838537115.db2.gz	FZQIBLZCQXIQLT-PVAVHDDUSA-N	1	0	354.454	1.124	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C)cn1	ZINC000989168059	838565706	/nfs/dbraw/zinc/56/57/06/838565706.db2.gz	OCCIPMIXFUIURI-ZMYBRWDISA-N	1	0	366.465	1.124	20	30		FDEDRO
C#CC[N@@H+](C)CCCN1C(=O)CN(Cc2cc(OC)cc(OC)c2)C1=O	ZINC000925306689	839027018	/nfs/dbraw/zinc/02/70/18/839027018.db2.gz	ITOYEYJPDGVFQR-UHFFFAOYSA-N	1	0	359.426	1.423	20	30		FDEDRO
C=CCN1CC[C@H](N2CC[C@H](NC(=O)c3cc(C)nnc3CC)[C@H]2C)C1=O	ZINC001088677362	839595052	/nfs/dbraw/zinc/59/50/52/839595052.db2.gz	IGYXJTNRJRSOOE-JLSDUUJJSA-N	1	0	371.485	1.327	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCOC2(CCC([NH2+]CCCO)CC2)C1	ZINC001105483987	839781086	/nfs/dbraw/zinc/78/10/86/839781086.db2.gz	QYRKUTYBXKJIEZ-NRGCRIOASA-N	1	0	366.502	1.480	20	30		FDEDRO
C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1	ZINC000760412132	839932853	/nfs/dbraw/zinc/93/28/53/839932853.db2.gz	BFQXVUGCXFIEQB-CQSZACIVSA-N	1	0	362.405	1.609	20	30		FDEDRO
C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CN(C)C[C@@H](C)O2)CCC1	ZINC001105544644	839952279	/nfs/dbraw/zinc/95/22/79/839952279.db2.gz	OZTIGHNLQSGYTB-GUDVDZBRSA-N	1	0	361.530	1.870	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)CCN(C)c2nc(C#N)c(Cl)s2)CC[N@@H+]1C	ZINC001105580584	840001285	/nfs/dbraw/zinc/00/12/85/840001285.db2.gz	FYOZFCOHDKGSEQ-GHMZBOCLSA-N	1	0	355.895	1.903	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccncc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105587885	840034495	/nfs/dbraw/zinc/03/44/95/840034495.db2.gz	OJDKCLMDJKYELG-XCJLJZCSSA-N	1	0	371.481	1.311	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CNC(C)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105591869	840132423	/nfs/dbraw/zinc/13/24/23/840132423.db2.gz	UYROANMNKJAMAD-FPAYPSAMSA-N	1	0	351.491	1.055	20	30		FDEDRO
C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC[N@H+]1C	ZINC000476192540	840154091	/nfs/dbraw/zinc/15/40/91/840154091.db2.gz	NYJFOWBLDXYKJI-VKJFTORMSA-N	1	0	354.454	1.600	20	30		FDEDRO
O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1	ZINC000667542317	844537866	/nfs/dbraw/zinc/53/78/66/844537866.db2.gz	QPAIXSHDUQGHED-YLJYHZDGSA-N	1	0	374.444	1.630	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)noc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105594434	840591842	/nfs/dbraw/zinc/59/18/42/840591842.db2.gz	QCXPOPKOAMCRFR-QQTQMKHKSA-N	1	0	359.470	1.894	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1	ZINC000667550568	844565780	/nfs/dbraw/zinc/56/57/80/844565780.db2.gz	OZHPMLPYQWLMLU-XJKSGUPXSA-N	1	0	358.442	1.127	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@H](C)[NH3+]	ZINC000667559812	844583549	/nfs/dbraw/zinc/58/35/49/844583549.db2.gz	UIBARHUPMJNRGJ-VIFPVBQESA-N	1	0	356.220	1.416	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)CSCC#N)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCF)C2	ZINC001105600226	840979593	/nfs/dbraw/zinc/97/95/93/840979593.db2.gz	DJMPGRLXVXGGJG-JHNDHUHGSA-N	1	0	357.495	1.569	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CNC(=O)OC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105601510	841035148	/nfs/dbraw/zinc/03/51/48/841035148.db2.gz	ZNKFRLKCOGUEDU-FXRXJOCMSA-N	1	0	367.490	1.275	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CNC(=O)OC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105601254	841044858	/nfs/dbraw/zinc/04/48/58/841044858.db2.gz	VHTHVRUYHBXANA-FXRXJOCMSA-N	1	0	367.490	1.275	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CNC(=O)C3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105603528	841163056	/nfs/dbraw/zinc/16/30/56/841163056.db2.gz	LDUQZIPCFSSQKM-ZTRFORPCSA-N	1	0	363.502	1.055	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnc(F)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105603085	841163234	/nfs/dbraw/zinc/16/32/34/841163234.db2.gz	DFHHTRBHWJZGTM-CIWUYKSXSA-N	1	0	359.445	1.824	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCOCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105607452	841226300	/nfs/dbraw/zinc/22/63/00/841226300.db2.gz	RSZWQSMMBPWIOO-IZBJGVDFSA-N	1	0	368.518	1.582	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCC(=O)NCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105607491	841230208	/nfs/dbraw/zinc/23/02/08/841230208.db2.gz	SCVVNZLYVDHLMJ-SMOSDQRPSA-N	1	0	365.518	1.445	20	30		FDEDRO
C=CCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCn3cccn3)C2)[C@@H]1C(C)C	ZINC001105607601	841232168	/nfs/dbraw/zinc/23/21/68/841232168.db2.gz	UKXSLNXCUPUJPX-JYBIWHBTSA-N	1	0	360.502	1.815	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C)CC1	ZINC000989667805	841320554	/nfs/dbraw/zinc/32/05/54/841320554.db2.gz	OKBZULOIHLYNKY-PBHICJAKSA-N	1	0	371.485	1.726	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3CC=CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105609894	841439214	/nfs/dbraw/zinc/43/92/14/841439214.db2.gz	CYARLMQHZRJOKG-ANTGDGSKSA-N	1	0	360.498	1.569	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3CCOCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105610105	841573380	/nfs/dbraw/zinc/57/33/80/841573380.db2.gz	HUBDERALQOJCFX-VURPSTOHSA-N	1	0	362.514	1.793	20	30		FDEDRO
C=CCOCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]C/C=C\Cl)C2)[C@H]1C(C)C	ZINC001105610408	841630443	/nfs/dbraw/zinc/63/04/43/841630443.db2.gz	KHOZUQHLNYBMIL-MTBGLIFDSA-N	1	0	356.894	1.908	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncc(C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105611852	841917797	/nfs/dbraw/zinc/91/77/97/841917797.db2.gz	VTPYDFPHZMLYFL-XCJLJZCSSA-N	1	0	355.482	1.993	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc(C(N)=O)cn2C)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088711066	842195280	/nfs/dbraw/zinc/19/52/80/842195280.db2.gz	LFQJWMBRNJSURE-DYVFJYSZSA-N	1	0	365.437	1.388	20	30		FDEDRO
COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105618880	842234197	/nfs/dbraw/zinc/23/41/97/842234197.db2.gz	BNJCTGSHSQSNLM-YWTNHNAXSA-N	1	0	360.458	1.112	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3OCCCO3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619081	842234681	/nfs/dbraw/zinc/23/46/81/842234681.db2.gz	FKXYONJTTKVLLT-SMOSDQRPSA-N	1	0	364.486	1.129	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3coc(CC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105620150	842241817	/nfs/dbraw/zinc/24/18/17/842241817.db2.gz	XBMQHYLSPGHUAF-GNUPYSACSA-N	1	0	359.470	1.840	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(=O)NC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105622835	842248902	/nfs/dbraw/zinc/24/89/02/842248902.db2.gz	JATFXGIZLRBZNN-OHDICMOHSA-N	1	0	351.491	1.055	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(C)(C)O)[C@H]2C(C)C)C[C@H]1O	ZINC001105622789	842249064	/nfs/dbraw/zinc/24/90/64/842249064.db2.gz	HSHUHQNNBOMUTH-ZTRFORPCSA-N	1	0	368.518	1.316	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncn(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105627177	842259423	/nfs/dbraw/zinc/25/94/23/842259423.db2.gz	LJQIKCOKUBXIKV-JEWRLFTDSA-N	1	0	361.490	1.361	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3onc(C)c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105636962	842269462	/nfs/dbraw/zinc/26/94/62/842269462.db2.gz	HPONHDYANNZACO-CIWUYKSXSA-N	1	0	359.470	1.894	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(CCOC)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105637653	842272952	/nfs/dbraw/zinc/27/29/52/842272952.db2.gz	TVWLXRBYYHNRCQ-WIRSXHRWSA-N	1	0	362.514	1.793	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnc(OC)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637825	842274275	/nfs/dbraw/zinc/27/42/75/842274275.db2.gz	WBUPMWJVYCEOQR-ZJSJBZJDSA-N	1	0	371.481	1.693	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cncs3)[C@H]2C(C)C)C[C@H]1O	ZINC001105637997	842275454	/nfs/dbraw/zinc/27/54/54/842275454.db2.gz	YOIGKERAMNEROP-ZAWLATJESA-N	1	0	361.511	1.675	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3(COC)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105632954	842280830	/nfs/dbraw/zinc/28/08/30/842280830.db2.gz	PLBHKKSSACAZQF-HBXLWWENSA-N	1	0	350.503	1.955	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC#CCOC)C2)[C@H]1C(C)C	ZINC001105645470	842394762	/nfs/dbraw/zinc/39/47/62/842394762.db2.gz	BBDYNFZCKQHICS-NEYJZJCJSA-N	1	0	362.514	1.815	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH]c(=O)n3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105646516	842409203	/nfs/dbraw/zinc/40/92/03/842409203.db2.gz	KDSQUSUPXNHTCF-NVQRDWNXSA-N	1	0	362.474	1.282	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3n[nH]nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105647561	842414705	/nfs/dbraw/zinc/41/47/05/842414705.db2.gz	RYQWUMARSBRFEO-LFEHRJTNSA-N	1	0	361.490	1.659	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCOCCO)C2)[C@@H]1C(C)C	ZINC001105648320	842419893	/nfs/dbraw/zinc/41/98/93/842419893.db2.gz	XZOUPUCDUYBCKM-PDOICOKGSA-N	1	0	368.518	1.174	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc(C)n3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105651734	842444736	/nfs/dbraw/zinc/44/47/36/842444736.db2.gz	IYDLJVGHDFBHDN-DLVXIWMQSA-N	1	0	360.502	1.884	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(N)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105651675	842444910	/nfs/dbraw/zinc/44/49/10/842444910.db2.gz	IDZNEMIHEYLUCW-JEWRLFTDSA-N	1	0	351.491	1.184	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cscn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105655867	842479235	/nfs/dbraw/zinc/47/92/35/842479235.db2.gz	LTAVTMCNLZTLGS-RWQQGDIJSA-N	1	0	361.511	1.675	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@@H]1C(C)C	ZINC001105655814	842479334	/nfs/dbraw/zinc/47/93/34/842479334.db2.gz	LEFOWZRQPONTPY-WWNBULGVSA-N	1	0	352.519	1.937	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C3)[C@@H]2C(C)C)CC1	ZINC001105657029	842490401	/nfs/dbraw/zinc/49/04/01/842490401.db2.gz	VELPKQHYUOOGJW-RNKNFESXSA-N	1	0	363.502	1.184	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CCCO)C3)[C@H]2C(C)C)C1	ZINC001105656294	842492550	/nfs/dbraw/zinc/49/25/50/842492550.db2.gz	OPQNROMNGRHXPH-WOCWXWTJSA-N	1	0	350.503	1.691	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccn(CC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105657401	842494495	/nfs/dbraw/zinc/49/44/95/842494495.db2.gz	YWJGHSFDBMTBLN-FTEYMNFISA-N	1	0	358.486	1.506	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(CF)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105657733	842495391	/nfs/dbraw/zinc/49/53/91/842495391.db2.gz	APRVQSFXHOZJTP-WWNBULGVSA-N	1	0	368.493	1.905	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)CC1	ZINC000923794605	842584417	/nfs/dbraw/zinc/58/44/17/842584417.db2.gz	CCSXEAJGLMPBHY-UHFFFAOYSA-N	1	0	365.817	1.804	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2CC)C[C@@H]1O	ZINC001083470728	842635178	/nfs/dbraw/zinc/63/51/78/842635178.db2.gz	KDXASHPSVHTKHD-ZRNYENFQSA-N	1	0	358.482	1.892	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(OC)o3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105660897	842637168	/nfs/dbraw/zinc/63/71/68/842637168.db2.gz	ACBSDZWNAKZKNL-CWLMSFPYSA-N	1	0	360.454	1.891	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc(C)nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105661030	842650679	/nfs/dbraw/zinc/65/06/79/842650679.db2.gz	CQGZGPHDYYRFDR-BNDYYXHWSA-N	1	0	370.497	1.696	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)NC(C)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105661254	842680648	/nfs/dbraw/zinc/68/06/48/842680648.db2.gz	GIJSXDQLGUVMPD-VIPLHTEESA-N	1	0	365.518	1.443	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(=O)N(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105661592	842717995	/nfs/dbraw/zinc/71/79/95/842717995.db2.gz	KJSFVMVWVVGTIY-YAJHFMINSA-N	1	0	365.518	1.397	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(=O)N(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105661602	842718003	/nfs/dbraw/zinc/71/80/03/842718003.db2.gz	KJSFVMVWVVGTIY-YKCBXCCJSA-N	1	0	365.518	1.397	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COc3cccnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105661971	842746310	/nfs/dbraw/zinc/74/63/10/842746310.db2.gz	LSIAJMMOEHGIGS-UKAVVXHISA-N	1	0	371.481	1.450	20	30		FDEDRO
N#C[C@@H]1CCC[C@@H]1NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000461959262	843252498	/nfs/dbraw/zinc/25/24/98/843252498.db2.gz	NNACYEFZDPVNAH-VJANTYMQSA-N	1	0	356.470	1.861	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(Cc3ccc(F)c(C#N)c3)C[C@@H]2O)CC[N@@H+]1C	ZINC001083474410	843430545	/nfs/dbraw/zinc/43/05/45/843430545.db2.gz	FTZUSQJNMFOTDC-AITUJVMLSA-N	1	0	374.460	1.089	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(Cc3cc(F)ccc3C#N)C[C@@H]2O)CC[N@@H+]1C	ZINC001083474735	843444662	/nfs/dbraw/zinc/44/46/62/843444662.db2.gz	XXXRUOSZRWRKCD-MANSERQUSA-N	1	0	374.460	1.089	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2cccc(C#Cc3cccs3)c2)CC[NH2+]1	ZINC000667330244	843742634	/nfs/dbraw/zinc/74/26/34/843742634.db2.gz	GANUYLZWLDWKMO-AWEZNQCLSA-N	1	0	353.447	1.907	20	30		FDEDRO
C=CCN1CC[C@H](N2CC[C@H](NC(=O)c3cc(C4CC4)on3)[C@H]2C)C1=O	ZINC001088778615	843769524	/nfs/dbraw/zinc/76/95/24/843769524.db2.gz	LVWJPOIPXWNVJV-INWMFGNUSA-N	1	0	358.442	1.532	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CCN(C)C2=O)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088804297	844674629	/nfs/dbraw/zinc/67/46/29/844674629.db2.gz	PIFMTWBSGAXDJV-OLMNPRSZSA-N	1	0	370.453	1.146	20	30		FDEDRO
C[C@H](CCC#N)C[NH2+][C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1	ZINC000898530188	844825100	/nfs/dbraw/zinc/82/51/00/844825100.db2.gz	YWRILOVLUXHEBF-KGLIPLIRSA-N	1	0	350.463	1.736	20	30		FDEDRO
Cc1c(C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cnn1CCC#N	ZINC000898667129	844991351	/nfs/dbraw/zinc/99/13/51/844991351.db2.gz	VCFQQODGDQKWRZ-GOSISDBHSA-N	1	0	367.453	1.602	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3ccnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105673005	845264998	/nfs/dbraw/zinc/26/49/98/845264998.db2.gz	GDIJHBIFQHXAAC-LFGUQSLTSA-N	1	0	360.502	1.815	20	30		FDEDRO
CC[NH2+]CC1CCN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)CC1	ZINC000842179203	845386446	/nfs/dbraw/zinc/38/64/46/845386446.db2.gz	CLMIYSWEOVAGSN-UHFFFAOYSA-N	1	0	358.442	1.031	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCCC(=O)NC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105675187	845639821	/nfs/dbraw/zinc/63/98/21/845639821.db2.gz	MMZFMPMCPUSNRB-SMOSDQRPSA-N	1	0	365.518	1.445	20	30		FDEDRO
CN1CC[N@H+](C)CC(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)C1	ZINC000913162251	861607391	/nfs/dbraw/zinc/60/73/91/861607391.db2.gz	HLTTVBRQHQHRMO-UHFFFAOYSA-N	1	0	356.470	1.174	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCc3nn[nH]c32)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088823822	846381773	/nfs/dbraw/zinc/38/17/73/846381773.db2.gz	FHZDUIILKYTQHR-XYPHTWIQSA-N	1	0	364.453	1.875	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CN(Cc2ccc3c(c2)COC3)C[C@@H]1O	ZINC001083525730	846388900	/nfs/dbraw/zinc/38/89/00/846388900.db2.gz	JABDMQYBTHGTON-QUCCMNQESA-N	1	0	367.449	1.679	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1	ZINC000899976160	846972913	/nfs/dbraw/zinc/97/29/13/846972913.db2.gz	ZJGZSGYCAOABAY-UHFFFAOYSA-N	1	0	372.513	1.894	20	30		FDEDRO
Cn1ccnc1CCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001076078185	847198778	/nfs/dbraw/zinc/19/87/78/847198778.db2.gz	RILPUJXVFVPIQZ-RBUKOAKNSA-N	1	0	363.465	1.957	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3CN(CC#Cc4ccccc4)C[C@H]32)C1	ZINC001076242368	847663949	/nfs/dbraw/zinc/66/39/49/847663949.db2.gz	BHENPRVURRZDSX-HLAWJBBLSA-N	1	0	351.494	1.913	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3ccc4nonc4c3)C[C@H]21	ZINC001076263682	847721788	/nfs/dbraw/zinc/72/17/88/847721788.db2.gz	OKKSKPWMBIJANL-SFUIVIKGSA-N	1	0	368.437	1.847	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCCN(Cc2noc(C(C)(C)C)n2)CC1	ZINC000900813678	847791954	/nfs/dbraw/zinc/79/19/54/847791954.db2.gz	GAJSIBSWUQFOJF-UHFFFAOYSA-N	1	0	363.506	1.909	20	30		FDEDRO
C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccnc(N(C)C)c1	ZINC000482372963	847840959	/nfs/dbraw/zinc/84/09/59/847840959.db2.gz	WPNQQFCHVWLUOZ-GFCCVEGCSA-N	1	0	373.438	1.325	20	30		FDEDRO
Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(OCC#N)cc4)C[C@H]32)n1	ZINC001076342320	847914190	/nfs/dbraw/zinc/91/41/90/847914190.db2.gz	GZDNAEXRNRODAG-FUHWJXTLSA-N	1	0	365.437	1.967	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4ncccn4)[C@@H]3C2)cc1	ZINC001076385136	848005292	/nfs/dbraw/zinc/00/52/92/848005292.db2.gz	JEMOAJBTLHFUJP-FUHWJXTLSA-N	1	0	363.421	1.725	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C#N)C2CCCCC2)CC1=O	ZINC000482477983	848062521	/nfs/dbraw/zinc/06/25/21/848062521.db2.gz	MRDGJRGAGWWECZ-KURKYZTESA-N	1	0	360.502	1.908	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)Cc4ncc[nH]4)[C@@H]3C2)cc1	ZINC001076402321	848064705	/nfs/dbraw/zinc/06/47/05/848064705.db2.gz	OYASDTYNJBIPIQ-FUHWJXTLSA-N	1	0	365.437	1.587	20	30		FDEDRO
COc1ncc(C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)cn1	ZINC001076424816	848107294	/nfs/dbraw/zinc/10/72/94/848107294.db2.gz	OMTHYAPSOMEIJY-FUHWJXTLSA-N	1	0	363.421	1.703	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCN(C(C)C)C4=O)C[C@H]32)nc1	ZINC001076476013	848240004	/nfs/dbraw/zinc/24/00/04/848240004.db2.gz	QKVVZNMWXCELBH-QXAKKESOSA-N	1	0	366.465	1.219	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(Cc4cc5n(n4)CCC5)C[C@H]32)cn1	ZINC001076476848	848241907	/nfs/dbraw/zinc/24/19/07/848241907.db2.gz	FNFDFNSFTLZJGO-OXJNMPFZSA-N	1	0	361.449	1.552	20	30		FDEDRO
C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(Cc4ccc(F)c(C#N)c4)C[C@H]32)C1	ZINC001076569205	848466155	/nfs/dbraw/zinc/46/61/55/848466155.db2.gz	NOXLPNVDSXMXHF-FRQCXROJSA-N	1	0	356.445	1.682	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)Cn4ccnc4)[C@@H]3C2)cc1	ZINC001076632517	848616707	/nfs/dbraw/zinc/61/67/07/848616707.db2.gz	DEXOYUPGTMPTIS-PKOBYXMFSA-N	1	0	365.437	1.518	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)CC[N@@H+](C)CCC	ZINC001076725200	848851276	/nfs/dbraw/zinc/85/12/76/848851276.db2.gz	IFHRWVNFCMONIS-BQFCYCMXSA-N	1	0	353.507	1.711	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CC3CCC(F)(F)CC3)C[C@H]2O)c1	ZINC001076855686	849213874	/nfs/dbraw/zinc/21/38/74/849213874.db2.gz	HVPPHZCVJJMCRB-HUUCEWRRSA-N	1	0	352.385	1.487	20	30		FDEDRO
[NH2+]=C(NC[C@@H]1CCCS1(=O)=O)Nc1ccccc1OC(F)(F)F	ZINC000160761155	849308670	/nfs/dbraw/zinc/30/86/70/849308670.db2.gz	RBEJBQGSBOUJEN-VIFPVBQESA-N	1	0	351.350	1.889	20	30		FDEDRO
[NH2+]=C(NC[C@H]1CCCS1(=O)=O)Nc1ccccc1OC(F)(F)F	ZINC000160761272	849309353	/nfs/dbraw/zinc/30/93/53/849309353.db2.gz	RBEJBQGSBOUJEN-SECBINFHSA-N	1	0	351.350	1.889	20	30		FDEDRO
N#CCOc1ccc(CN2C[C@@H](O)[C@H](NC(=O)Cc3ccoc3)C2)cc1	ZINC001076919412	849318267	/nfs/dbraw/zinc/31/82/67/849318267.db2.gz	LDYZXIKEFFJPDW-QZTJIDSGSA-N	1	0	355.394	1.086	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[N@H+](C)C1CCC1	ZINC001077022172	849561220	/nfs/dbraw/zinc/56/12/20/849561220.db2.gz	NVUKSRWJUGIONC-UAGQMJEPSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCC[C@@H]2c2ccccc2)C1	ZINC001077016359	849567479	/nfs/dbraw/zinc/56/74/79/849567479.db2.gz	LARIIRUKQZVUPA-UAFMIMERSA-N	1	0	358.482	1.934	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1O	ZINC001077092363	849731408	/nfs/dbraw/zinc/73/14/08/849731408.db2.gz	QJTHFMQSTVZGTM-IXDOHACOSA-N	1	0	362.499	1.155	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](CCc2scnc2C)C[C@H]1O	ZINC001077138351	849869411	/nfs/dbraw/zinc/86/94/11/849869411.db2.gz	FNMQEIMRHUIPRK-GDBMZVCRSA-N	1	0	360.483	1.457	20	30		FDEDRO
CC#CCCNC(=O)C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1	ZINC000483755955	849940063	/nfs/dbraw/zinc/94/00/63/849940063.db2.gz	QBDJXVBRIIYYSU-UHFFFAOYSA-N	1	0	370.497	1.994	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(CCC)cc2)C[C@H]1O	ZINC001077159230	849955416	/nfs/dbraw/zinc/95/54/16/849955416.db2.gz	UPDWUJCNNRBZEG-QHAWAJNXSA-N	1	0	369.509	1.398	20	30		FDEDRO
CC(C)[NH+]1CCN(CCC(=O)N2CCN(c3ccc(C#N)cc3)CC2)CC1	ZINC000913478470	862207689	/nfs/dbraw/zinc/20/76/89/862207689.db2.gz	INXUPEBGVRADND-UHFFFAOYSA-N	1	0	369.513	1.623	20	30		FDEDRO
COC[C@H]1C[NH2+]CCN1C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1	ZINC000904535674	851281015	/nfs/dbraw/zinc/28/10/15/851281015.db2.gz	OCANAFNOAPIDEY-QGZVFWFLSA-N	1	0	354.414	1.255	20	30		FDEDRO
N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccnn1Cc1ccc(Cl)s1	ZINC000904547128	851286149	/nfs/dbraw/zinc/28/61/49/851286149.db2.gz	ARXIGHXTNXBDQH-MWLCHTKSSA-N	1	0	350.835	1.879	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1	ZINC000904967005	851525159	/nfs/dbraw/zinc/52/51/59/851525159.db2.gz	UGVBUILRCQRPRV-JQWIXIFHSA-N	1	0	374.388	1.174	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1	ZINC000904986756	851587390	/nfs/dbraw/zinc/58/73/90/851587390.db2.gz	LLPKLWZMNBEIRP-INIZCTEOSA-N	1	0	374.510	1.815	20	30		FDEDRO
N#CCOc1ccc(CN2C[C@@H](NC(=O)C3(C4CC4)CCC3)[C@@H](O)C2)cc1	ZINC001083675092	862265095	/nfs/dbraw/zinc/26/50/95/862265095.db2.gz	LPKMHFPRMCVKOP-MOPGFXCFSA-N	1	0	369.465	1.831	20	30		FDEDRO
C=CCc1cc(C[NH2+]C[C@@H](O)C2(O)CCOCC2)cc(OC)c1OC	ZINC000905079392	851631347	/nfs/dbraw/zinc/63/13/47/851631347.db2.gz	HGORMESNAYKJDS-QGZVFWFLSA-N	1	0	351.443	1.424	20	30		FDEDRO
C[C@](O)(C[NH2+][C@H]1CCN(CC(F)(F)F)C1=O)C(F)(F)C(F)(F)F	ZINC000905103636	851661022	/nfs/dbraw/zinc/66/10/22/851661022.db2.gz	KZJYIHOAHPYQSW-XPUUQOCRSA-N	1	0	358.229	1.688	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)NCC#CC[NH+](C)C)c(C)c2)CC1	ZINC000905152170	851706911	/nfs/dbraw/zinc/70/69/11/851706911.db2.gz	VTDDMFUYHBIJKA-UHFFFAOYSA-N	1	0	357.502	1.823	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@H](CNC(=O)OC(C)(C)C)C1CCOCC1	ZINC000913524496	862290195	/nfs/dbraw/zinc/29/01/95/862290195.db2.gz	ONWIEGARBCGLRI-MRXNPFEDSA-N	1	0	367.490	1.235	20	30		FDEDRO
C#CC[C@@H](CO)[NH2+]C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2	ZINC000905357564	851856185	/nfs/dbraw/zinc/85/61/85/851856185.db2.gz	MARQFXQNOBZAAJ-HOTGVXAUSA-N	1	0	370.371	1.141	20	30		FDEDRO
COc1cc(/C=C\C(=O)NCC#CC[NH+](C)C)cc(Br)c1O	ZINC000913516439	862299279	/nfs/dbraw/zinc/29/92/79/862299279.db2.gz	QFCWZNCGOBFAMK-SREVYHEPSA-N	1	0	367.243	1.858	20	30		FDEDRO
C#CCN1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(CCC(C)=O)cc2)C1	ZINC000905461724	851962805	/nfs/dbraw/zinc/96/28/05/851962805.db2.gz	RQLOJUCWISJOHT-WOJBJXKFSA-N	1	0	358.482	1.635	20	30		FDEDRO
Cc1cc2c(ncnc2N2CCC[C@H]2C(=O)NCC#CC[NH+](C)C)s1	ZINC000913519800	862304382	/nfs/dbraw/zinc/30/43/82/862304382.db2.gz	PBGZHVBQRRAMOF-HNNXBMFYSA-N	1	0	357.483	1.650	20	30		FDEDRO
C[C@@H]1C[C@]2(CC[C@H](C[NH2+]CCS(=O)(=O)c3cccc(C#N)c3)O2)CO1	ZINC000905487492	851988036	/nfs/dbraw/zinc/98/80/36/851988036.db2.gz	SXFIZLDNJMJUMT-QGPMSJSTSA-N	1	0	364.467	1.648	20	30		FDEDRO
CCN(C(=O)C[NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccccc1	ZINC000905517369	852009820	/nfs/dbraw/zinc/00/98/20/852009820.db2.gz	CJUYGPKUCWKFTO-SFHVURJKSA-N	1	0	353.422	1.941	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]C[C@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1	ZINC000905590849	852081864	/nfs/dbraw/zinc/08/18/64/852081864.db2.gz	GSJDRNHTHQEWPP-XAUUPUKJSA-N	1	0	350.459	1.385	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCN2C2CCOCC2)cc1	ZINC000905617792	852115029	/nfs/dbraw/zinc/11/50/29/852115029.db2.gz	DWIQMKKOEVWUCN-RTBURBONSA-N	1	0	359.470	1.335	20	30		FDEDRO
COc1ncc(NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)cc1C#N	ZINC000906146643	852646923	/nfs/dbraw/zinc/64/69/23/852646923.db2.gz	BTMZMWFJBANVRB-JKSUJKDBSA-N	1	0	354.414	1.369	20	30		FDEDRO
C#CCN(C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C1CC[NH+](C)CC1	ZINC000906451865	852900371	/nfs/dbraw/zinc/90/03/71/852900371.db2.gz	JZFVKRMEHAWBKN-UHFFFAOYSA-N	1	0	361.398	1.782	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C	ZINC000906503861	852972360	/nfs/dbraw/zinc/97/23/60/852972360.db2.gz	BJDNEZRXZKGBCK-IBGZPJMESA-N	1	0	370.497	1.777	20	30		FDEDRO
CN1CC[N@H+](C)CC(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1	ZINC000906567856	853027087	/nfs/dbraw/zinc/02/70/87/853027087.db2.gz	XXDNTZZIWQXCJI-UHFFFAOYSA-N	1	0	356.470	1.421	20	30		FDEDRO
C=CCN1CCN(C)C2(CCN(C3CC[NH+](CC4CC4)CC3)CC2)C1=O	ZINC001168377602	862433371	/nfs/dbraw/zinc/43/33/71/862433371.db2.gz	JUIXEAPCWPACFX-UHFFFAOYSA-N	1	0	360.546	1.655	20	30		FDEDRO
Cc1cc(C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc(C)c1C#N	ZINC000906683751	853162155	/nfs/dbraw/zinc/16/21/55/853162155.db2.gz	PAIATFJRJNGUQJ-UHFFFAOYSA-N	1	0	356.470	1.705	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1	ZINC000906706701	853192846	/nfs/dbraw/zinc/19/28/46/853192846.db2.gz	ALMHJEZOBSPBGV-LJQANCHMSA-N	1	0	354.498	1.956	20	30		FDEDRO
CC[C@H](C#N)Oc1cc(CNC(=O)C2CN(C)CC[N@H+](C)C2)ccc1OC	ZINC000906692978	853221569	/nfs/dbraw/zinc/22/15/69/853221569.db2.gz	UWEOHGUURHGBHO-QGZVFWFLSA-N	1	0	374.485	1.486	20	30		FDEDRO
C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(Br)c(C#N)c2)C1	ZINC000906933102	853530017	/nfs/dbraw/zinc/53/00/17/853530017.db2.gz	OPGFMMBHDQEHBQ-LLVKDONJSA-N	1	0	372.288	1.941	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)ccc1Br	ZINC000906935714	853534384	/nfs/dbraw/zinc/53/43/84/853534384.db2.gz	UUWYZWIYFKLACP-LBPRGKRZSA-N	1	0	370.272	1.789	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)CCN1CC[NH+](C(C)C)CC1	ZINC000907340931	854059351	/nfs/dbraw/zinc/05/93/51/854059351.db2.gz	NIBAPTICVJARPW-UHFFFAOYSA-N	1	0	374.485	1.938	20	30		FDEDRO
C[N@@H+]1CCC[C@](O)(CC(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1	ZINC000907613987	854458938	/nfs/dbraw/zinc/45/89/38/854458938.db2.gz	KXHNFJKIUMBVGW-UHYCVJNDSA-N	1	0	372.469	1.606	20	30		FDEDRO
N#Cc1cc(F)ccc1CS(=O)(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO	ZINC000908014272	854909725	/nfs/dbraw/zinc/90/97/25/854909725.db2.gz	GXIWXMONHMOHPX-DLBZAZTESA-N	1	0	367.446	1.058	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@]3(C#N)CC4CCC3CC4)CC2)C1=O	ZINC000908185411	855154208	/nfs/dbraw/zinc/15/42/08/855154208.db2.gz	OTCCFZHCXNUOTK-GXKRMFDSSA-N	1	0	358.486	1.518	20	30		FDEDRO
CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc(C#N)o2)[NH+](C)C)cc1	ZINC000908460672	855446837	/nfs/dbraw/zinc/44/68/37/855446837.db2.gz	XDOXUMVVISIWRE-INIZCTEOSA-N	1	0	362.455	1.798	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000669255813	862693622	/nfs/dbraw/zinc/69/36/22/862693622.db2.gz	NKKJZOIIYGLFRH-JKSUJKDBSA-N	1	0	351.491	1.465	20	30		FDEDRO
C[N@@H+]1CCN(C(=O)CCNC(=O)C2N=CC=CC2=O)CC12CCCCC2	ZINC000908574224	855588400	/nfs/dbraw/zinc/58/84/00/855588400.db2.gz	UKRGYGHUYKHARK-ZCXUNETKSA-N	1	0	360.458	1.380	20	30		FDEDRO
C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1CCC(CC)([NH+]2CCC2)CC1	ZINC000908691946	855681495	/nfs/dbraw/zinc/68/14/95/855681495.db2.gz	LQTRSMIUUQQXCL-HNNXBMFYSA-N	1	0	358.490	1.522	20	30		FDEDRO
C=CCn1c(N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)nnc1C1(OC)CCOCC1	ZINC000908693220	855683024	/nfs/dbraw/zinc/68/30/24/855683024.db2.gz	IFRQWMVOWVQMNQ-MAUKXSAKSA-N	1	0	361.490	1.504	20	30		FDEDRO
C=CCn1c(-c2cnsn2)nnc1N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1	ZINC000908720336	855700162	/nfs/dbraw/zinc/70/01/62/855700162.db2.gz	PXXCROCXZCMWPQ-BETUJISGSA-N	1	0	363.491	1.528	20	30		FDEDRO
C=CCn1c(-c2cccnn2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000908706220	855708164	/nfs/dbraw/zinc/70/81/64/855708164.db2.gz	JYCKILWCSLBMKX-HNNXBMFYSA-N	1	0	355.446	1.080	20	30		FDEDRO
C=CCn1c(-c2ccc(=O)n(C)c2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C	ZINC000908739871	855736160	/nfs/dbraw/zinc/73/61/60/855736160.db2.gz	DNQLSLIPCACPAK-RDJZCZTQSA-N	1	0	370.501	1.996	20	30		FDEDRO
C#CCCCc1nnc(N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)n1CC=C	ZINC000908727132	855755506	/nfs/dbraw/zinc/75/55/06/855755506.db2.gz	MJZYOLBAYUGXQO-QGZVFWFLSA-N	1	0	370.501	1.211	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)CCN1Cc1cc(C#N)ccc1F	ZINC001088839537	855922673	/nfs/dbraw/zinc/92/26/73/855922673.db2.gz	QEZCAYGVIUAVOP-GFJSAUFNSA-N	1	0	358.417	1.445	20	30		FDEDRO
C#CCCCc1nnc(N(C)CCN2CCOC(C)(C)C2)n1CCOC	ZINC000909198835	856290577	/nfs/dbraw/zinc/29/05/77/856290577.db2.gz	SLIRVEPUWCZPGN-UHFFFAOYSA-N	1	0	363.506	1.427	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H]1CCC[N@H+]1CCOC	ZINC000668788402	856573762	/nfs/dbraw/zinc/57/37/62/856573762.db2.gz	ZHJUKGRECXMXAX-ZACQAIPSSA-N	1	0	351.491	1.465	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCCOc2ccccc2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC001212138739	856997971	/nfs/dbraw/zinc/99/79/71/856997971.db2.gz	DMZWNGKVXTVZIZ-RTBURBONSA-N	1	0	368.437	1.784	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)Cc2cc(C#N)cs2)C[C@H]1C	ZINC000910662097	857474175	/nfs/dbraw/zinc/47/41/75/857474175.db2.gz	HIKHRVVDIZOCNH-UKRRQHHQSA-N	1	0	362.499	1.909	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)Cc2cc(C#N)cs2)[C@H](C)C1	ZINC000910665553	857481513	/nfs/dbraw/zinc/48/15/13/857481513.db2.gz	SCSGBDFSBKSWHW-CJNGLKHVSA-N	1	0	362.499	1.767	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)Cc1cc(C#N)cs1	ZINC000910699446	857540140	/nfs/dbraw/zinc/54/01/40/857540140.db2.gz	KVNJRPOYNYNWFV-CABCVRRESA-N	1	0	360.483	1.663	20	30		FDEDRO
CC(C)[N@H+](CCO)CC1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC1	ZINC000910869897	857807511	/nfs/dbraw/zinc/80/75/11/857807511.db2.gz	PUVBJLKFRBUSHK-LJQANCHMSA-N	1	0	359.470	1.533	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCNC(=O)[C@H]1CC	ZINC000669335709	863006034	/nfs/dbraw/zinc/00/60/34/863006034.db2.gz	PQBDZNHLDUQRTL-OAGGEKHMSA-N	1	0	374.489	1.105	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCCCC1CC[NH2+]CC1	ZINC000911315510	858484590	/nfs/dbraw/zinc/48/45/90/858484590.db2.gz	OHPYYTNOTHWJKK-IRXDYDNUSA-N	1	0	351.491	1.370	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[C@@H]4[NH2+]3)CC2)c1	ZINC000911635687	858872256	/nfs/dbraw/zinc/87/22/56/858872256.db2.gz	KVDANLXYHUAWGZ-SQNIBIBYSA-N	1	0	353.470	1.913	20	30		FDEDRO
N#C[C@]1(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC2CCC1CC2	ZINC000911707284	858938092	/nfs/dbraw/zinc/93/80/92/858938092.db2.gz	ZRQDWBXVRAVCFD-VPWFFCTISA-N	1	0	358.486	1.377	20	30		FDEDRO
C[NH+](C)C[C@@H](NC(=O)NCCNc1ccc(C#N)cn1)c1ccccc1	ZINC000916216624	881464639	/nfs/dbraw/zinc/46/46/39/881464639.db2.gz	NCEPFCNAKQQEPE-QGZVFWFLSA-N	1	0	352.442	1.967	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1	ZINC000668990842	859988304	/nfs/dbraw/zinc/98/83/04/859988304.db2.gz	KWIMXDUJQQILJF-KRWDZBQOSA-N	1	0	351.491	1.609	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@H]2CCN(c3cccc(OC)c3)C2)CC1	ZINC000916231284	881489310	/nfs/dbraw/zinc/48/93/10/881489310.db2.gz	PEVOXAMGBAJGOD-QGZVFWFLSA-N	1	0	370.497	1.918	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H](NC(=O)c3nccc4occc43)[C@@H](O)C2)s1	ZINC001083661340	860163030	/nfs/dbraw/zinc/16/30/30/860163030.db2.gz	WIWNMCKOIOVZTE-CABCVRRESA-N	1	0	368.418	1.736	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C	ZINC000994255453	881585178	/nfs/dbraw/zinc/58/51/78/881585178.db2.gz	VMXYTMVXIDIACY-BHIYHBOVSA-N	1	0	359.514	1.731	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1	ZINC000669036683	860887300	/nfs/dbraw/zinc/88/73/00/860887300.db2.gz	QQQIRQUZFWQETP-DLBZAZTESA-N	1	0	363.502	1.418	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N[C@H](C(=O)OCC)[C@H](O)c1ccc(Cl)cc1	ZINC000912948608	861106729	/nfs/dbraw/zinc/10/67/29/861106729.db2.gz	PTUSYIUWPVCSGR-JKSUJKDBSA-N	1	0	368.861	1.929	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C3CCCCC3)C[C@H]2C)CC1	ZINC000947254800	863271362	/nfs/dbraw/zinc/27/13/62/863271362.db2.gz	SDXWKPKCSAXJIT-VQIMIIECSA-N	1	0	359.514	1.875	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2cnn(C)c2C)C[C@H]1C	ZINC001105824233	863380310	/nfs/dbraw/zinc/38/03/10/863380310.db2.gz	PWQKZUNMZLNECF-ZWNOBZJWSA-N	1	0	355.280	1.935	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]CC(=O)N1CCC[C@@H](C)C1	ZINC001105845944	863474642	/nfs/dbraw/zinc/47/46/42/863474642.db2.gz	AWNPQWFYUIKZTL-BZUAXINKSA-N	1	0	366.531	1.186	20	30		FDEDRO
Cc1noc(CCC[NH2+]C[C@@H]2CN(C(=O)CSCC#N)C[C@H]2C)n1	ZINC001105846480	863477382	/nfs/dbraw/zinc/47/73/82/863477382.db2.gz	XJDOCVGPLZHWEJ-TZMCWYRMSA-N	1	0	351.476	1.252	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C)c1nc(C2CC2)no1	ZINC001105850654	863489515	/nfs/dbraw/zinc/48/95/15/863489515.db2.gz	SHKMADYDVUZDDJ-MBNYWOFBSA-N	1	0	363.487	1.949	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CSCCC)C[C@H]2C)C1=O	ZINC001105885914	863661335	/nfs/dbraw/zinc/66/13/35/863661335.db2.gz	YRUJRKJHKOQBMN-BZUAXINKSA-N	1	0	353.532	1.601	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)COCCC)C[C@H]1C	ZINC001105904467	863827506	/nfs/dbraw/zinc/82/75/06/863827506.db2.gz	JWCLOOCXCPPKPW-IAGOWNOFSA-N	1	0	353.507	1.522	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C2CC2)[C@H](C)C1	ZINC001105909207	863906461	/nfs/dbraw/zinc/90/64/61/863906461.db2.gz	FYLAMAGMPQYRPJ-BZUAXINKSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2CCC)[C@H](C)C1	ZINC001105909659	863914790	/nfs/dbraw/zinc/91/47/90/863914790.db2.gz	KBNSHHXNAIEKRC-BZUAXINKSA-N	1	0	364.494	1.248	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)n2CC)[C@H](C)C1	ZINC001105912494	863942633	/nfs/dbraw/zinc/94/26/33/863942633.db2.gz	FOOGQUSFXZNDFN-BFYDXBDKSA-N	1	0	363.506	1.772	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nc(COC)no2)[C@H](C)C1	ZINC001105912751	863944080	/nfs/dbraw/zinc/94/40/80/863944080.db2.gz	MEHPPZACWQRZHK-RBSFLKMASA-N	1	0	366.462	1.381	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CCCc2nc(C)no2)[C@H](C)C1	ZINC001105914679	863961302	/nfs/dbraw/zinc/96/13/02/863961302.db2.gz	AVHOJCURLQOITE-HLLBOEOZSA-N	1	0	364.490	1.976	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1C(F)(F)F	ZINC001112114583	864008506	/nfs/dbraw/zinc/00/85/06/864008506.db2.gz	XFRVASMSIRRYQR-DGCLKSJQSA-N	1	0	358.364	1.834	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C2=COCCC2)C[C@H]1C	ZINC001105923754	864038328	/nfs/dbraw/zinc/03/83/28/864038328.db2.gz	HCEAAWPICXYRBQ-NVXWUHKLSA-N	1	0	362.474	1.127	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+]Cc2nc(-c3ccncn3)no2)[C@H](C)C1	ZINC001105929438	864068839	/nfs/dbraw/zinc/06/88/39/864068839.db2.gz	PQUMDGZLXBYECA-ZIAGYGMSSA-N	1	0	356.430	1.677	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@@H](C)CCC(C)C)[C@H](C)C1	ZINC001105938376	864133642	/nfs/dbraw/zinc/13/36/42/864133642.db2.gz	SDJCFMREFUABLH-FGTMMUONSA-N	1	0	367.534	1.814	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2nnc3n2CCCCC3)[C@H](C)C1	ZINC001105941955	864153107	/nfs/dbraw/zinc/15/31/07/864153107.db2.gz	RYOPPSAMKYZYNZ-HZPDHXFCSA-N	1	0	361.490	1.391	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+][C@H](C(N)=O)c2ccc(F)cc2)[C@H](C)C1	ZINC001105942326	864160296	/nfs/dbraw/zinc/16/02/96/864160296.db2.gz	GDFXLAPPHZXYJU-SIIHOXLZSA-N	1	0	363.433	1.239	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(CCC)CCC)[C@H](C)C1	ZINC001105943161	864165793	/nfs/dbraw/zinc/16/57/93/864165793.db2.gz	XWXHNXBBIISRGU-IAGOWNOFSA-N	1	0	353.507	1.522	20	30		FDEDRO
CCN(C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C)c1ccccc1	ZINC001105951343	864210703	/nfs/dbraw/zinc/21/07/03/864210703.db2.gz	CICBCCZKRWKXJM-GVDBMIGSSA-N	1	0	356.470	1.883	20	30		FDEDRO
Cc1ccccc1CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C	ZINC001105951948	864211742	/nfs/dbraw/zinc/21/17/42/864211742.db2.gz	OJIYMABCPSUDIF-YQVWRLOYSA-N	1	0	370.497	1.498	20	30		FDEDRO
Cc1c(C(=O)N2C[C@@H](C[NH2+]CC#Cc3ccccc3)[C@H](C)C2)nnn1C	ZINC001105973420	864287619	/nfs/dbraw/zinc/28/76/19/864287619.db2.gz	PWIQZVURIZRAJE-CRAIPNDOSA-N	1	0	351.454	1.473	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC2CCC2)C[C@H]1C	ZINC001105981015	864324126	/nfs/dbraw/zinc/32/41/26/864324126.db2.gz	LTKMZADZQKXSMR-IIAWOOMASA-N	1	0	364.490	1.261	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@H](C)CCC)[C@H](C)C1	ZINC001105984690	864343250	/nfs/dbraw/zinc/34/32/50/864343250.db2.gz	VMMPDQYUYRIDCT-KZNAEPCWSA-N	1	0	367.534	1.958	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]CC(=O)N1CCC[C@@H](C)C1	ZINC001105985222	864346265	/nfs/dbraw/zinc/34/62/65/864346265.db2.gz	FAVZVPMCVLLAOF-BFYDXBDKSA-N	1	0	371.485	1.443	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C[C@H]1C	ZINC001105987316	864362831	/nfs/dbraw/zinc/36/28/31/864362831.db2.gz	CVRWEDZUGCVIJZ-RXYDEIHYSA-N	1	0	360.502	1.479	20	30		FDEDRO
CC(C)N(C)C(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC001105989077	864381231	/nfs/dbraw/zinc/38/12/31/864381231.db2.gz	NXJSOIGDRFTWFQ-IIAWOOMASA-N	1	0	359.474	1.439	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C)C(=O)NC(C)(C)C	ZINC001105989335	864383155	/nfs/dbraw/zinc/38/31/55/864383155.db2.gz	YCLYIFMZBRUYRE-VNHYZAJKSA-N	1	0	359.474	1.487	20	30		FDEDRO
N#Cc1cc(CS(=O)(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](O)C2)cs1	ZINC000916574717	881764087	/nfs/dbraw/zinc/76/40/87/881764087.db2.gz	BFAJMWPBDLHWBO-CFVMTHIKSA-N	1	0	355.485	1.027	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cnnn2C)C1	ZINC001112291995	864434863	/nfs/dbraw/zinc/43/48/63/864434863.db2.gz	HBEUVOBRFPWXRI-LPHOPBHVSA-N	1	0	361.490	1.516	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCCO2)C[C@H]1C	ZINC001106012139	864643764	/nfs/dbraw/zinc/64/37/64/864643764.db2.gz	BXXIPORBGDDERA-KURKYZTESA-N	1	0	363.502	1.440	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@]2(C)CCNC2=O)CCN1Cc1cc(C#N)ccc1F	ZINC001088854674	864690349	/nfs/dbraw/zinc/69/03/49/864690349.db2.gz	XPDLKXGHBIANBO-RNRVQEDPSA-N	1	0	358.417	1.303	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@]2(C)CCNC2=O)CCN1Cc1cc(F)ccc1C#N	ZINC001088855011	864695851	/nfs/dbraw/zinc/69/58/51/864695851.db2.gz	LQZFGFHOJAYOJJ-RNRVQEDPSA-N	1	0	358.417	1.303	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(OC)c2C)[C@H](C)C1	ZINC001106034420	864912763	/nfs/dbraw/zinc/91/27/63/864912763.db2.gz	DQYIBLBQMVRKBF-CRAIPNDOSA-N	1	0	371.481	1.327	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]CC2CCC(F)(F)CC2)[C@H](C)C1	ZINC001106035297	864916448	/nfs/dbraw/zinc/91/64/48/864916448.db2.gz	QUOWYLSBALHBMW-GDBMZVCRSA-N	1	0	369.456	1.636	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]CC2CCC3(CC3)CC2)[C@H](C)C1	ZINC001106035821	864926332	/nfs/dbraw/zinc/92/63/32/864926332.db2.gz	YHPMXRNLUKEXOW-SJLPKXTDSA-N	1	0	359.514	1.780	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2nccn3ccnc23)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088866918	864977955	/nfs/dbraw/zinc/97/79/55/864977955.db2.gz	SUOTXWUJPUDJJW-PBHICJAKSA-N	1	0	360.421	1.994	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CCOCC(F)(F)F)[C@H](C)C1	ZINC001106064861	865103936	/nfs/dbraw/zinc/10/39/36/865103936.db2.gz	KSVBKMMDYMEFQV-UMVBOHGHSA-N	1	0	352.397	1.577	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CCCc2nc(C)no2)[C@H](C)C1	ZINC001106065152	865105244	/nfs/dbraw/zinc/10/52/44/865105244.db2.gz	RJMVKQIDUKZLLY-DDUZABMNSA-N	1	0	350.463	1.322	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]CC2(CS(C)(=O)=O)CC2)[C@H](C)C1	ZINC001106065213	865106554	/nfs/dbraw/zinc/10/65/54/865106554.db2.gz	SOTJRAISGHBRGP-HZPDHXFCSA-N	1	0	354.516	1.299	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CCCOCC(F)(F)F)[C@H](C)C1	ZINC001106064699	865109252	/nfs/dbraw/zinc/10/92/52/865109252.db2.gz	FDKVFLXXIRFICZ-IIAWOOMASA-N	1	0	366.424	1.967	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)C2CC2)[C@H](C)C1	ZINC001106064514	865109385	/nfs/dbraw/zinc/10/93/85/865109385.db2.gz	AZKPDCPIKBQZIU-SPYBWZPUSA-N	1	0	351.491	1.009	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nnc(CC)s2)[C@H](C)C1	ZINC001106065287	865111139	/nfs/dbraw/zinc/11/11/39/865111139.db2.gz	VHGAMYQSIOWSFL-PBFPGSCMSA-N	1	0	352.504	1.612	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](CCC[C@H]3CCOC3)[C@@H]2C)nn1	ZINC001088911165	865400425	/nfs/dbraw/zinc/40/04/25/865400425.db2.gz	BOLAEDHXAKUFRV-IKGGRYGDSA-N	1	0	361.490	1.864	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ncoc2-c2ccon2)C[C@H]1C	ZINC001106883849	881896242	/nfs/dbraw/zinc/89/62/42/881896242.db2.gz	MAISONUTHDPDIB-ZIAGYGMSSA-N	1	0	358.398	1.277	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)COc2ccsc2)C[C@H]1C	ZINC001106880928	881906191	/nfs/dbraw/zinc/90/61/91/881906191.db2.gz	RCPKUAQOYFRVOY-RBSFLKMASA-N	1	0	365.499	1.502	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCCN2C(N)=O)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088972054	865813660	/nfs/dbraw/zinc/81/36/60/865813660.db2.gz	PPPMSJPROFJPIE-JLSDUUJJSA-N	1	0	369.469	1.570	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CCCCN(C)C2=O)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088976091	865837515	/nfs/dbraw/zinc/83/75/15/865837515.db2.gz	FWOOMFHYOKTWEG-LZQZEXGQSA-N	1	0	368.481	1.896	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H](CC)c3ccccc3)C[C@@H]2O)nn1	ZINC001083849126	881915818	/nfs/dbraw/zinc/91/58/18/881915818.db2.gz	OLIQUNBBFVIJAR-NEWSRXKRSA-N	1	0	369.469	1.780	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C[C@H]3CCNC(=O)CC3)[C@@H]2C)cn1	ZINC001088991045	865956624	/nfs/dbraw/zinc/95/66/24/865956624.db2.gz	FMALBTXLNHISSS-RKVPGOIHSA-N	1	0	354.454	1.172	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@H]1OC	ZINC001212194008	866046747	/nfs/dbraw/zinc/04/67/47/866046747.db2.gz	MJNPOSFUZNRTIU-QWFCFKBJSA-N	1	0	368.518	1.726	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N(C)C2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001089062674	866426887	/nfs/dbraw/zinc/42/68/87/866426887.db2.gz	SJDGUWYJQWRWHC-OLMNPRSZSA-N	1	0	354.454	1.506	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C[NH2+]CC#Cc1ccccc1Cl	ZINC001106084554	866561049	/nfs/dbraw/zinc/56/10/49/866561049.db2.gz	SRIRCNZSQOZEJZ-GDBMZVCRSA-N	1	0	371.872	1.818	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)CCC[C@@H]12	ZINC000991976048	866694271	/nfs/dbraw/zinc/69/42/71/866694271.db2.gz	QFXHMRCDOCFHSG-RMJJICAUSA-N	1	0	363.502	1.165	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1csnc1C)C2	ZINC001112309580	867193206	/nfs/dbraw/zinc/19/32/06/867193206.db2.gz	HYEHBTSDUISHBS-KSSFIOAISA-N	1	0	362.499	1.586	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)c2cc3c[nH]ccc-3n2)C1	ZINC000992079354	867734616	/nfs/dbraw/zinc/73/46/16/867734616.db2.gz	XMMMSWXTCVGVNI-PBHICJAKSA-N	1	0	354.410	1.485	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CC(NC(=O)C[NH+]2CCCC2)C1	ZINC000992137978	867992697	/nfs/dbraw/zinc/99/26/97/867992697.db2.gz	CHDCYLKYMWXUJS-AKSNENBUSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C)nn2)C[C@H]1C	ZINC001106104739	868133548	/nfs/dbraw/zinc/13/35/48/868133548.db2.gz	DLPRNYWGDHMERX-NVXWUHKLSA-N	1	0	371.485	1.283	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C)C(=O)N1CCCCCC1	ZINC001106106001	868163915	/nfs/dbraw/zinc/16/39/15/868163915.db2.gz	CSNDRMZQIGNMFH-ZHALLVOQSA-N	1	0	359.514	1.875	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]CCc1nnn(C(C)(C)C)n1	ZINC001106106306	868185419	/nfs/dbraw/zinc/18/54/19/868185419.db2.gz	RECYYXNTHXBEAR-GDBMZVCRSA-N	1	0	358.490	1.068	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]CC(=O)Nc1cccc(F)c1	ZINC001106106455	868187241	/nfs/dbraw/zinc/18/72/41/868187241.db2.gz	YAVLLZMGGZGEBE-GDBMZVCRSA-N	1	0	357.429	1.862	20	30		FDEDRO
Cc1cc(NC(=O)[C@H](C)[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)on1	ZINC001106106482	868191051	/nfs/dbraw/zinc/19/10/51/868191051.db2.gz	ZJIYVQHTLAQSPF-IVMMDQJWSA-N	1	0	358.442	1.408	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccnc(N(C)C)c2)[C@H](C)C1	ZINC001106111082	868381202	/nfs/dbraw/zinc/38/12/02/868381202.db2.gz	GWXASGCSJCXQBW-SOLBZPMBSA-N	1	0	358.486	1.370	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2C#N)[C@H](C)C1	ZINC001106111505	868390678	/nfs/dbraw/zinc/39/06/78/868390678.db2.gz	NVNKQONLZFANDJ-IIDMSEBBSA-N	1	0	357.429	1.920	20	30		FDEDRO
C#Cc1ccc(C(=O)NCC2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)cn1	ZINC000992267503	868699569	/nfs/dbraw/zinc/69/95/69/868699569.db2.gz	KYIQLOLXTZMIGS-PLOGVPAPSA-N	1	0	363.421	1.214	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C2)cc1	ZINC001106119680	868702168	/nfs/dbraw/zinc/70/21/68/868702168.db2.gz	FNTZPBQSYOPBJQ-SJLPKXTDSA-N	1	0	371.481	1.475	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CCOCC3CC3)C[C@H]2C)C1=O	ZINC001106121062	868774956	/nfs/dbraw/zinc/77/49/56/868774956.db2.gz	MRAHSVRZAIEJHG-NXHRZFHOSA-N	1	0	363.502	1.274	20	30		FDEDRO
C[N@@H+](Cc1ccc(C#N)s1)C[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1C(N)=O	ZINC001089226001	868782614	/nfs/dbraw/zinc/78/26/14/868782614.db2.gz	QWQYOLWUEUEPLT-MAZHCROVSA-N	1	0	360.483	1.554	20	30		FDEDRO
C[C@@H](CC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1)NC(N)=O	ZINC001106126917	869000412	/nfs/dbraw/zinc/00/04/12/869000412.db2.gz	XHUJIASWHFVAIK-SOLBZPMBSA-N	1	0	356.470	1.169	20	30		FDEDRO
N#Cc1cccc(C2([NH2+]CC(=O)NC3CCC4(CC3)OCCO4)CC2)c1	ZINC000271758959	869118381	/nfs/dbraw/zinc/11/83/81/869118381.db2.gz	HMUHHXXBAHBZCD-UHFFFAOYSA-N	1	0	355.438	1.939	20	30		FDEDRO
C=C[C@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1	ZINC000465339028	869211869	/nfs/dbraw/zinc/21/18/69/869211869.db2.gz	SVBJSCFEUHNWGU-AWEZNQCLSA-N	1	0	358.442	1.094	20	30		FDEDRO
CC(C)(C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O)[NH+]1CCCC1	ZINC001083696308	869341911	/nfs/dbraw/zinc/34/19/11/869341911.db2.gz	UWJFGRQKMNMVPX-MSOLQXFVSA-N	1	0	356.470	1.094	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cc(C#N)ccc2[O-])CC1=O	ZINC000176393446	869600537	/nfs/dbraw/zinc/60/05/37/869600537.db2.gz	SQRIKJLMELBKQQ-CABCVRRESA-N	1	0	356.426	1.535	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2N(C)C)C[C@@H]1O	ZINC001083853596	882327727	/nfs/dbraw/zinc/32/77/27/882327727.db2.gz	BZDVZTADROOGHK-HNJRGHQBSA-N	1	0	373.497	1.395	20	30		FDEDRO
COc1ccc(C#N)cc1CN1C[C@@H](NC(=O)[C@@]2(C)C=CCC2)[C@@H](O)C1	ZINC001083704817	869950166	/nfs/dbraw/zinc/95/01/66/869950166.db2.gz	GXIBYYSGBLSAQW-UWVAXJGDSA-N	1	0	355.438	1.584	20	30		FDEDRO
C#CCN(C(=O)NCc1ccc(C(=O)NCC)cc1)C1CC[NH+](C)CC1	ZINC000914030123	870401794	/nfs/dbraw/zinc/40/17/94/870401794.db2.gz	NHQZEOPBCKJTAB-UHFFFAOYSA-N	1	0	356.470	1.675	20	30		FDEDRO
C[NH+](C)[C@@H]1CCCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C1	ZINC000152303639	870447887	/nfs/dbraw/zinc/44/78/87/870447887.db2.gz	GMIVYKMLAWJATO-QGZVFWFLSA-N	1	0	355.442	1.306	20	30		FDEDRO
C#CCN(C(=O)NCc1ccnc(-n2cccn2)c1)C1CC[NH+](C)CC1	ZINC000914041518	870468327	/nfs/dbraw/zinc/46/83/27/870468327.db2.gz	NHLCKIAGACNFPS-UHFFFAOYSA-N	1	0	352.442	1.506	20	30		FDEDRO
C#CC[C@@H](CO)NC(=O)NCc1ccccc1CN1CC[NH+](CC)CC1	ZINC000914058827	870509049	/nfs/dbraw/zinc/50/90/49/870509049.db2.gz	ISRJXMWMOCMERP-IBGZPJMESA-N	1	0	358.486	1.008	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC[C@H]2CCN(C(=O)[C@@H]3C[C@H]3CC)C2)CC1	ZINC001060443625	870617980	/nfs/dbraw/zinc/61/79/80/870617980.db2.gz	PRZPEMBWSKZVRK-YQVWRLOYSA-N	1	0	359.514	1.733	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H](C)C1N=NC(=O)N1C)C(C)C	ZINC000914125414	870939671	/nfs/dbraw/zinc/93/96/71/870939671.db2.gz	DWDLHUUYEMSJMM-UONOGXRCSA-N	1	0	350.467	1.580	20	30		FDEDRO
N#Cc1cc(CS(=O)(=O)NCCCC[N@H+]2CCC[C@@H]2CO)cs1	ZINC000914156563	871148695	/nfs/dbraw/zinc/14/86/95/871148695.db2.gz	BJRCLUICDQMPPX-CQSZACIVSA-N	1	0	357.501	1.276	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccnn2C2CCC2)C[C@H]1C	ZINC001106143670	871370022	/nfs/dbraw/zinc/37/00/22/871370022.db2.gz	HRDYZXGYJHVOOH-BZUAXINKSA-N	1	0	371.485	1.044	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc(C)c2F)C[C@H]1C	ZINC001106159543	871473286	/nfs/dbraw/zinc/47/32/86/871473286.db2.gz	WQBHNMUJTNLAOJ-BZUAXINKSA-N	1	0	359.445	1.570	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2C)nc1	ZINC000994390818	882512454	/nfs/dbraw/zinc/51/24/54/882512454.db2.gz	SQZOKZDORQPHSH-NVXWUHKLSA-N	1	0	368.481	1.372	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(CC)ccn2)C[C@H]1C	ZINC001106166936	871523270	/nfs/dbraw/zinc/52/32/70/871523270.db2.gz	FCAMQTJNKDTMKV-HLLBOEOZSA-N	1	0	356.470	1.080	20	30		FDEDRO
C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)CC2)C1=O	ZINC001002872097	871608072	/nfs/dbraw/zinc/60/80/72/871608072.db2.gz	NZHJPDZNCNPGHN-UKBAYJJMSA-N	1	0	357.498	1.956	20	30		FDEDRO
CC[C@H](C(=O)N1C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@]2(C)C1)[NH+](C)C	ZINC000992739407	871707074	/nfs/dbraw/zinc/70/70/74/871707074.db2.gz	IOZOCJSWXSBAII-ZSZQSSIHSA-N	1	0	357.458	1.147	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)/C(C)=C/C)C[C@]3(C)C2)CC1	ZINC000992755501	871919069	/nfs/dbraw/zinc/91/90/69/871919069.db2.gz	OMSJEOHHQSKHHW-IWCNAMSWSA-N	1	0	357.498	1.605	20	30		FDEDRO
CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)Cc1c(C)cc(C#N)cc1C	ZINC000914235340	871943782	/nfs/dbraw/zinc/94/37/82/871943782.db2.gz	SGSCKFBOPAKHGK-KRWDZBQOSA-N	1	0	367.515	1.951	20	30		FDEDRO
CC(C)(C#N)CS(=O)(=O)NCC1(CN2CCOCC2)CCCCC1	ZINC000914232239	871968727	/nfs/dbraw/zinc/96/87/27/871968727.db2.gz	GDBWDPVJEKCISN-UHFFFAOYSA-N	1	0	357.520	1.738	20	30		FDEDRO
C=CC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2	ZINC001003115224	872591964	/nfs/dbraw/zinc/59/19/64/872591964.db2.gz	DXBAVAYTBSYUOC-OIISXLGYSA-N	1	0	373.501	1.519	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2ccc[nH]2)C3)CC1	ZINC001003200528	872757806	/nfs/dbraw/zinc/75/78/06/872757806.db2.gz	YBYQDNYVKCLZDC-QRVBRYPASA-N	1	0	368.481	1.151	20	30		FDEDRO
C[C@H](C#N)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2	ZINC001003358497	873201989	/nfs/dbraw/zinc/20/19/89/873201989.db2.gz	USAKWLGWBOVBTM-PILAGYSTSA-N	1	0	354.454	1.770	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)o2)[C@H](C)C1)OCC	ZINC001106197129	873442754	/nfs/dbraw/zinc/44/27/54/873442754.db2.gz	HRXPCXFTOCLWIG-BMFZPTHFSA-N	1	0	350.463	1.933	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C(C)C)[C@H](C)C1)OCC	ZINC001106197387	873466267	/nfs/dbraw/zinc/46/62/67/873466267.db2.gz	UQGCGYQZUPPCOT-KURKYZTESA-N	1	0	367.534	1.909	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](C[NH2+]CCNC(=O)C2CC2)[C@H](C)C1)OCC	ZINC001106198754	873609147	/nfs/dbraw/zinc/60/91/47/873609147.db2.gz	MXGRUWMMBBEWOG-NXHRZFHOSA-N	1	0	365.518	1.568	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(=O)COC)C[C@H]1C	ZINC001106205395	873695383	/nfs/dbraw/zinc/69/53/83/873695383.db2.gz	MRBRUEVWWDCMTL-IAGOWNOFSA-N	1	0	355.523	1.746	20	30		FDEDRO
CCc1nc(C#N)cc(N(C)[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001061281438	873735233	/nfs/dbraw/zinc/73/52/33/873735233.db2.gz	YXUAPHAVAAKFRK-HYVNUMGLSA-N	1	0	370.501	1.678	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CN2CCCCCCC2=O)C[C@H]1C	ZINC001106211435	873808095	/nfs/dbraw/zinc/80/80/95/873808095.db2.gz	GKTLUVZEBKLKKQ-QZTJIDSGSA-N	1	0	365.518	1.666	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C3CCC3)cc2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106213722	873832028	/nfs/dbraw/zinc/83/20/28/873832028.db2.gz	HEAOEWRJPWNTJV-DNVCBOLYSA-N	1	0	368.481	1.892	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(COC)CCCCC2)C[C@H]1C	ZINC001106217442	873913743	/nfs/dbraw/zinc/91/37/43/873913743.db2.gz	MCRMQOWMTZMVFX-IAGOWNOFSA-N	1	0	363.502	1.017	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2scnc2CC)C[C@H]1C	ZINC001106221051	873946312	/nfs/dbraw/zinc/94/63/12/873946312.db2.gz	ZRAIWCZZPOVUAD-HZSPNIEDSA-N	1	0	364.515	1.694	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(C(F)F)CC1	ZINC001003676785	874013076	/nfs/dbraw/zinc/01/30/76/874013076.db2.gz	NFHVWBPRIQWBBA-KBXIAJHMSA-N	1	0	365.424	1.377	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3ccn(C)c(=O)c3)[C@H](C)C2)CCC1	ZINC001106236169	874061798	/nfs/dbraw/zinc/06/17/98/874061798.db2.gz	CWJDMMIIOLICCT-SJLPKXTDSA-N	1	0	355.482	1.763	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106243169	874096763	/nfs/dbraw/zinc/09/67/63/874096763.db2.gz	XVWFYNMLBJTETI-KBAYOESNSA-N	1	0	371.456	1.388	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106243168	874097269	/nfs/dbraw/zinc/09/72/69/874097269.db2.gz	XVWFYNMLBJTETI-BPQIPLTHSA-N	1	0	371.456	1.388	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C(C)C)nc2)C[C@H]1C	ZINC001106248339	874115026	/nfs/dbraw/zinc/11/50/26/874115026.db2.gz	MRWYWVVWLNQRFU-NVXWUHKLSA-N	1	0	356.470	1.252	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@]3(C)C2)cc1	ZINC000993069973	874125564	/nfs/dbraw/zinc/12/55/64/874125564.db2.gz	AZNUVUKCDMZZHN-KNKQGSTJSA-N	1	0	367.493	1.929	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3ccncc3s2)C[C@H]1C	ZINC001106255386	874166597	/nfs/dbraw/zinc/16/65/97/874166597.db2.gz	PGRBNWLEZDHFQW-UKRRQHHQSA-N	1	0	370.478	1.343	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCC2CCOCC2)[C@H](C)C1	ZINC001106266285	874259987	/nfs/dbraw/zinc/25/99/87/874259987.db2.gz	ADIUHUUANWSXMQ-RLLQIKCJSA-N	1	0	361.530	1.585	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)COCC2CCCC2)C[C@H]1C	ZINC001106269900	874294838	/nfs/dbraw/zinc/29/48/38/874294838.db2.gz	IIEDKTHVLQKMLP-JFIYKMOQSA-N	1	0	365.518	1.568	20	30		FDEDRO
Cc1c(C(=O)N2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@@]3(C)C2)ccc2c[nH+]cn21	ZINC000993096803	874371472	/nfs/dbraw/zinc/37/14/72/874371472.db2.gz	ZGOAYZPEYFTCAF-AGKSTNPPSA-N	1	0	365.437	1.723	20	30		FDEDRO
CC(Cn1cc(Br)ccc1=O)=NNC1=[NH+][C@H]2CCCC[C@H]2N1	ZINC000761827554	874585467	/nfs/dbraw/zinc/58/54/67/874585467.db2.gz	GOINHHCRARZEGN-BETUJISGSA-N	1	0	366.263	1.847	20	30		FDEDRO
C[NH+](C)CCn1cc(NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cn1	ZINC000761881727	874763195	/nfs/dbraw/zinc/76/31/95/874763195.db2.gz	SAKBCLCJSQSHQL-SFHVURJKSA-N	1	0	368.441	1.922	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C	ZINC001106343205	874852894	/nfs/dbraw/zinc/85/28/94/874852894.db2.gz	UQXLTZIKJZZYHE-QZTJIDSGSA-N	1	0	364.534	1.191	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2ccncc2)C[C@H]1C	ZINC001106355738	874887951	/nfs/dbraw/zinc/88/79/51/874887951.db2.gz	RCQBCYDQAXHHOV-SOLBZPMBSA-N	1	0	358.486	1.389	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccnc2C2CC2)C[C@H]1C	ZINC001106373911	874962143	/nfs/dbraw/zinc/96/21/43/874962143.db2.gz	SGMSJJWLGDPNHB-GDBMZVCRSA-N	1	0	356.470	1.559	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc3cnccc3o2)C[C@H]1C	ZINC001106378163	874989502	/nfs/dbraw/zinc/98/95/02/874989502.db2.gz	IFEMNXWNKYQYTK-IJEWVQPXSA-N	1	0	368.437	1.263	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccnc(C3CC3)c2)C[C@H]1C	ZINC001106379746	874995027	/nfs/dbraw/zinc/99/50/27/874995027.db2.gz	NWLBFESVFJSMBU-IIDMSEBBSA-N	1	0	368.481	1.395	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(COC)c2)C[C@H]1C	ZINC001106386476	875036242	/nfs/dbraw/zinc/03/62/42/875036242.db2.gz	DWIUUWAOXYVOEQ-CRAIPNDOSA-N	1	0	359.470	1.433	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCCNC(N)=O)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001106389654	875045473	/nfs/dbraw/zinc/04/54/73/875045473.db2.gz	SNSNIXMIRIBFJN-CRAIPNDOSA-N	1	0	371.485	1.581	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc3nccn32)C[C@H]1C	ZINC001106419406	875203551	/nfs/dbraw/zinc/20/35/51/875203551.db2.gz	JPPXBOGVZMSXMX-OWCLPIDISA-N	1	0	369.469	1.323	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](c2ccccc2)C2CC2)C[C@H]1C	ZINC001106425455	875235268	/nfs/dbraw/zinc/23/52/68/875235268.db2.gz	YYUPFCODAXRJIO-OZOXKJRCSA-N	1	0	367.493	1.614	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(C)cn3ccnc23)C[C@H]1C	ZINC001106468337	875532390	/nfs/dbraw/zinc/53/23/90/875532390.db2.gz	LWBQVWUEZOLMJK-IAGOWNOFSA-N	1	0	354.454	1.590	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc3c(=O)[nH]c(C)cn3n2)C[C@H]1C	ZINC001106478450	875586300	/nfs/dbraw/zinc/58/63/00/875586300.db2.gz	YABBSYAPCTYSJL-IIAWOOMASA-N	1	0	371.485	1.983	20	30		FDEDRO
COC(=O)CC1([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCC1	ZINC000495484722	875630053	/nfs/dbraw/zinc/63/00/53/875630053.db2.gz	NGCPQQCMUNIDQU-UHFFFAOYSA-N	1	0	367.409	1.758	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]Cc2nncs2)[C@H](C)C1	ZINC001106486511	875642480	/nfs/dbraw/zinc/64/24/80/875642480.db2.gz	VXHBUKJSHYTESB-CKEIUWERSA-N	1	0	352.504	1.951	20	30		FDEDRO
N#CC1(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)CCOCC1	ZINC000495505772	875697050	/nfs/dbraw/zinc/69/70/50/875697050.db2.gz	NYBFSURCSGLIFC-UHFFFAOYSA-N	1	0	357.454	1.693	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2c(C)nn(C)c2Cl)C[C@H]1C	ZINC001106497638	875701041	/nfs/dbraw/zinc/70/10/41/875701041.db2.gz	YIRBXKCCORSGSL-TZMCWYRMSA-N	1	0	352.866	1.329	20	30		FDEDRO
C[C@H](CC(N)=O)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)[C@H](C)C1	ZINC001106522541	875828630	/nfs/dbraw/zinc/82/86/30/875828630.db2.gz	PRBXFPGZFBCNRP-XJKCOSOUSA-N	1	0	360.433	1.393	20	30		FDEDRO
C[C@@H](CC(N)=O)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)[C@H](C)C1	ZINC001106522540	875829005	/nfs/dbraw/zinc/82/90/05/875829005.db2.gz	PRBXFPGZFBCNRP-WOSRLPQWSA-N	1	0	360.433	1.393	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NC2CC2)[C@H](C)C1	ZINC001106531247	875864306	/nfs/dbraw/zinc/86/43/06/875864306.db2.gz	UJWFHHXISDDCHB-MGPQQGTHSA-N	1	0	364.490	1.259	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC(C)=C(C)C)C[C@H]1C	ZINC001106537428	875885351	/nfs/dbraw/zinc/88/53/51/875885351.db2.gz	UISUANBSYBJUSX-HZPDHXFCSA-N	1	0	364.490	1.429	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H](C[NH2+]CCNC(=O)NC(C)C)[C@H](C)C1	ZINC001106534016	875887788	/nfs/dbraw/zinc/88/77/88/875887788.db2.gz	XLWBSZNVDUJKLB-QZTJIDSGSA-N	1	0	364.534	1.962	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCOCC2)[C@H](C)C1	ZINC001106533999	875887972	/nfs/dbraw/zinc/88/79/72/875887972.db2.gz	WANIPLOAYLNGCD-QZTJIDSGSA-N	1	0	363.502	1.113	20	30		FDEDRO
C[C@@H]1CNC(NN=C2CCOC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)=[NH+]1	ZINC000762433205	875922114	/nfs/dbraw/zinc/92/21/14/875922114.db2.gz	BUKQEYRAEGEISH-UMVBOHGHSA-N	1	0	365.478	1.716	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]C[C@H](C)CS(C)(=O)=O)[C@H](C)C1	ZINC001106556432	875947088	/nfs/dbraw/zinc/94/70/88/875947088.db2.gz	PMZMJKZKVMEXDG-GVDBMIGSSA-N	1	0	356.532	1.545	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCOCC2)[C@H](C)C1	ZINC001106558154	875950797	/nfs/dbraw/zinc/95/07/97/875950797.db2.gz	QSDOUYQFKLTSIJ-IAGOWNOFSA-N	1	0	363.502	1.159	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCOCC2)[C@H](C)C1	ZINC001106563562	875962895	/nfs/dbraw/zinc/96/28/95/875962895.db2.gz	DUMLNQGPWAEOOG-GVDBMIGSSA-N	1	0	351.491	1.132	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccn(C(C)C)c2C)C[C@H]1C	ZINC001106567013	875975148	/nfs/dbraw/zinc/97/51/48/875975148.db2.gz	QJOKGUCULKFHFM-NVXWUHKLSA-N	1	0	360.502	1.977	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCCC2(F)F)C[C@H]1C	ZINC001106582099	876029267	/nfs/dbraw/zinc/02/92/67/876029267.db2.gz	SFLWBTGROKACMT-KFWWJZLASA-N	1	0	357.445	1.798	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c(F)ccc(F)c2F)C[C@H]1C	ZINC001106598316	876102665	/nfs/dbraw/zinc/10/26/65/876102665.db2.gz	ZXHCABGWWMFTEQ-VXGBXAGGSA-N	1	0	367.371	1.151	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2cccc(C)c2)C[C@H]1C	ZINC001106607428	876151424	/nfs/dbraw/zinc/15/14/24/876151424.db2.gz	YHOFBARAUJWTLI-ZHALLVOQSA-N	1	0	357.498	1.912	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+]CCCNS(=O)(=O)CC)[C@H](C)C1	ZINC001106609837	876180841	/nfs/dbraw/zinc/18/08/41/876180841.db2.gz	QJPLRYQVCSNWOH-HZPDHXFCSA-N	1	0	359.536	1.356	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2nncs2)[C@H](C)C1	ZINC001106610130	876184297	/nfs/dbraw/zinc/18/42/97/876184297.db2.gz	ZHXQFCSFYMGIIW-CHWSQXEVSA-N	1	0	351.476	1.517	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCCS(=O)(=O)C2)[C@H](C)C1	ZINC001106611811	876195853	/nfs/dbraw/zinc/19/58/53/876195853.db2.gz	FBSCCIRHNUUMQI-BRWVUGGUSA-N	1	0	356.532	1.852	20	30		FDEDRO
Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)cc1Cl	ZINC001106618546	876235304	/nfs/dbraw/zinc/23/53/04/876235304.db2.gz	WINVUKSLWZAUAO-UKRRQHHQSA-N	1	0	362.861	1.586	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C[NH2+]CCNS(=O)(=O)CC)[C@H](C)C2)CC1	ZINC001106628025	876269832	/nfs/dbraw/zinc/26/98/32/876269832.db2.gz	CMEUEWIKKLMEPR-NVXWUHKLSA-N	1	0	371.547	1.356	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC2CC2)[C@H](C)C1	ZINC001106629263	876277777	/nfs/dbraw/zinc/27/77/77/876277777.db2.gz	IAACMQRQJJWTAE-LPMFXHHGSA-N	1	0	364.490	1.261	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106636249	876320320	/nfs/dbraw/zinc/32/03/20/876320320.db2.gz	ZZTXFTCYOAVKHI-CEQIKUNHSA-N	1	0	371.456	1.530	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@]2(C)C1	ZINC000993215649	876335864	/nfs/dbraw/zinc/33/58/64/876335864.db2.gz	GTWCHQLGLKPTDX-OXJNMPFZSA-N	1	0	359.514	1.991	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(Cl)[nH]2)C[C@H]1C	ZINC001106644649	876353526	/nfs/dbraw/zinc/35/35/26/876353526.db2.gz	YCVLBWRSFBEHCS-FRRDWIJNSA-N	1	0	352.866	1.657	20	30		FDEDRO
COC[C@H](OC)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)[C@H](C)C1	ZINC001106644488	876353574	/nfs/dbraw/zinc/35/35/74/876353574.db2.gz	VZPJKAMFWCKKFW-QBIMZIAESA-N	1	0	363.433	1.543	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]C[C@@H](O)COCCOC)[C@H](C)C2)C1	ZINC001106648831	876370491	/nfs/dbraw/zinc/37/04/91/876370491.db2.gz	SGLXEKUCOYHETJ-BRWVUGGUSA-N	1	0	354.491	1.051	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc(=O)n2C)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106652990	876397531	/nfs/dbraw/zinc/39/75/31/876397531.db2.gz	SKWDBJYWWKYRGI-IEBWSBKVSA-N	1	0	363.461	1.735	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1C	ZINC001106661160	876461899	/nfs/dbraw/zinc/46/18/99/876461899.db2.gz	LOIUVVUZLQUUOZ-REBRKWNGSA-N	1	0	357.882	1.059	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(CC)cn2)C[C@H]1C	ZINC001106683094	876555396	/nfs/dbraw/zinc/55/53/96/876555396.db2.gz	MSKWTQDKZBXCAY-NVXWUHKLSA-N	1	0	358.486	1.173	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc3cc[nH]c32)C[C@H]1C	ZINC001106687378	876564977	/nfs/dbraw/zinc/56/49/77/876564977.db2.gz	RFZDEZHWKQZJSE-HLLBOEOZSA-N	1	0	366.465	1.604	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnc3ccccc3c2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106701895	876618605	/nfs/dbraw/zinc/61/86/05/876618605.db2.gz	LHEOMGQGZJNITL-RHSMWYFYSA-N	1	0	365.437	1.172	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)Cc3ccccc3)C[C@@H]2O)CC1	ZINC001083754536	883071317	/nfs/dbraw/zinc/07/13/17/883071317.db2.gz	VZVXTXPSHZTEEW-ZCNNSNEGSA-N	1	0	358.482	1.498	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N2C[C@H]3CN(C(=O)C#CC4CC4)C[C@@]3(C)C2)CC[N@@H+]1C	ZINC000993296559	876860002	/nfs/dbraw/zinc/86/00/02/876860002.db2.gz	XQUOUYMCOJYATE-JWVYWZTKSA-N	1	0	357.498	1.437	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@@H](C)CS(C)(=O)=O)[C@H](C)C1	ZINC001106710317	876894647	/nfs/dbraw/zinc/89/46/47/876894647.db2.gz	GGEKFIONTJCQAS-BZUAXINKSA-N	1	0	358.548	1.954	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc3ccccn3c2)C[C@H]1C	ZINC001106723966	876980255	/nfs/dbraw/zinc/98/02/55/876980255.db2.gz	WVSQJKJAVRDJKW-JFIYKMOQSA-N	1	0	366.465	1.375	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21	ZINC000272351585	877003594	/nfs/dbraw/zinc/00/35/94/877003594.db2.gz	QSIZGSFSFNUULV-DOTOQJQBSA-N	1	0	370.453	1.837	20	30		FDEDRO
CC(C)[C@H]1C[N@H+](C)CCN1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O	ZINC000153666869	877134559	/nfs/dbraw/zinc/13/45/59/877134559.db2.gz	ZSDFGSXGSHRSKV-YLJYHZDGSA-N	1	0	369.469	1.555	20	30		FDEDRO
C#CCN(C(=O)NC[C@H](C)NC(=O)OC(C)(C)C)C1CC[NH+](C)CC1	ZINC000922267223	877199346	/nfs/dbraw/zinc/19/93/46/877199346.db2.gz	HCYWIBDVZFEPQK-AWEZNQCLSA-N	1	0	352.479	1.639	20	30		FDEDRO
CCOC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000915683373	877204447	/nfs/dbraw/zinc/20/44/47/877204447.db2.gz	RDUYRBJKGCBPRW-IAGOWNOFSA-N	1	0	361.442	1.703	20	30		FDEDRO
COc1cc(C[NH2+]Cc2ccc(C#N)cc2)cc(OC)c1OCC(N)=O	ZINC000915681035	877220500	/nfs/dbraw/zinc/22/05/00/877220500.db2.gz	KJGOMDPJQHDFDV-UHFFFAOYSA-N	1	0	355.394	1.729	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@](O)(/C=C\OCC)C(F)(F)F)CC1	ZINC000917137063	883109837	/nfs/dbraw/zinc/10/98/37/883109837.db2.gz	KIPCDRWQPUWMPZ-OCOPJHETSA-N	1	0	365.396	1.780	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2cc(C)on2)[C@H](C)C1	ZINC001106732979	877264043	/nfs/dbraw/zinc/26/40/43/877264043.db2.gz	CYXQFKJZKSSMCW-QBIMZIAESA-N	1	0	362.474	1.638	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)C[C@H]1C	ZINC001106739599	877357882	/nfs/dbraw/zinc/35/78/82/877357882.db2.gz	WDEHOXVLJVWUBU-AEKKOLJUSA-N	1	0	365.477	1.006	20	30		FDEDRO
C#Cc1cncc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C3)c1	ZINC001003866555	877399513	/nfs/dbraw/zinc/39/95/13/877399513.db2.gz	DPACWVXLKFMTIW-YRXWBPOGSA-N	1	0	366.465	1.409	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(Cl)s2)C[C@H]1C	ZINC001106740308	877405975	/nfs/dbraw/zinc/40/59/75/877405975.db2.gz	JJWAQMBMZYUYKE-CHWSQXEVSA-N	1	0	369.918	1.930	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccc(Cl)s2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106740619	877407679	/nfs/dbraw/zinc/40/76/79/877407679.db2.gz	XQZWBCAPICNMAO-VXGBXAGGSA-N	1	0	368.890	1.268	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106750002	877504984	/nfs/dbraw/zinc/50/49/84/877504984.db2.gz	MSGKPUVAQGALSK-FLTJSSMESA-N	1	0	368.481	1.504	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CCCCN2CCOCC2)C[C@H]1C	ZINC001106765590	877639335	/nfs/dbraw/zinc/63/93/35/877639335.db2.gz	KDNILQDDCDCLFA-RTBURBONSA-N	1	0	367.534	1.376	20	30		FDEDRO
Cc1cc([C@@H](C)C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)c(C)o1	ZINC001106767761	877649815	/nfs/dbraw/zinc/64/98/15/877649815.db2.gz	RUTNVVXGJLRNSN-XNRPHZJLSA-N	1	0	360.458	1.324	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3c2ccn3C)C[C@H]1C	ZINC001106770167	877684954	/nfs/dbraw/zinc/68/49/54/877684954.db2.gz	VYAOKKNOZUHRDT-HZPDHXFCSA-N	1	0	368.481	1.778	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cn(C)nc2C(C)(C)C)C[C@H]1C	ZINC001106771616	877707323	/nfs/dbraw/zinc/70/73/23/877707323.db2.gz	PWAXURAFAOJPMT-HZPDHXFCSA-N	1	0	360.502	1.665	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCc3ccccc32)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106780477	877803540	/nfs/dbraw/zinc/80/35/40/877803540.db2.gz	DOYDHHDPOBYAKP-KBAYOESNSA-N	1	0	368.481	1.430	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)ccc1F	ZINC000922345743	877823715	/nfs/dbraw/zinc/82/37/15/877823715.db2.gz	OMUQFHLEGYIBFR-KRWDZBQOSA-N	1	0	360.433	1.224	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2coc(C(F)(F)F)n2)C[C@H]1C(F)(F)F	ZINC001099274773	878027801	/nfs/dbraw/zinc/02/78/01/878027801.db2.gz	VTGQUXXUONYJOK-HTQZYQBOSA-N	1	0	355.238	1.919	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106811487	878184602	/nfs/dbraw/zinc/18/46/02/878184602.db2.gz	KWOMAFCAXGQWGF-CRAIPNDOSA-N	1	0	371.456	1.388	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001106811777	878185997	/nfs/dbraw/zinc/18/59/97/878185997.db2.gz	RQPYLHQEECYPKU-RDTXWAMCSA-N	1	0	354.454	1.269	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc3cc(OC)ccn32)C[C@H]1C(F)(F)F	ZINC001099280044	878274945	/nfs/dbraw/zinc/27/49/45/878274945.db2.gz	IYKDYMOUXZGLMK-CHWSQXEVSA-N	1	0	366.343	1.569	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(-c4nc[nH]n4)c3)[C@H]2C1	ZINC001083160933	912344508	/nfs/dbraw/zinc/34/45/08/912344508.db2.gz	BVZXGTUVANTJST-DLBZAZTESA-N	1	0	353.426	1.573	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)[C@H]4CC45CC5)C[C@]3(C)C2)CC1	ZINC000993509125	878452827	/nfs/dbraw/zinc/45/28/27/878452827.db2.gz	VEKUFSLBLGICHL-OPYAIIAOSA-N	1	0	369.509	1.439	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@]2(CO)COCCN2C)cc1OCCCC#N	ZINC000922536368	878479422	/nfs/dbraw/zinc/47/94/22/878479422.db2.gz	VKVGFQZLGYZLCC-IBGZPJMESA-N	1	0	363.458	1.160	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)Cc3cn4c(C)csc4n3)[C@H]2C1	ZINC001083161358	912350891	/nfs/dbraw/zinc/35/08/91/912350891.db2.gz	YQVDBDSFSMUXCL-JKSUJKDBSA-N	1	0	360.483	1.734	20	30		FDEDRO
C#CCN(C(=O)N[C@@H](C)c1noc(COC(C)C)n1)C1CC[NH+](C)CC1	ZINC000922545880	878496027	/nfs/dbraw/zinc/49/60/27/878496027.db2.gz	KLXSJLZZDRFBNY-AWEZNQCLSA-N	1	0	363.462	1.795	20	30		FDEDRO
Cc1onc(CC(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1C#N	ZINC000499926125	878542028	/nfs/dbraw/zinc/54/20/28/878542028.db2.gz	FYYUTJLWQRKFRW-GASCZTMLSA-N	1	0	359.474	1.414	20	30		FDEDRO
C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCO[C@H]2C=C)CC2(CCOCC2)C1	ZINC001089940976	912390737	/nfs/dbraw/zinc/39/07/37/912390737.db2.gz	CJSNCSQRZFKZAP-QRVBRYPASA-N	1	0	360.498	1.978	20	30		FDEDRO
N#Cc1cnc(N2CCC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)c(F)c1	ZINC001061477779	879058125	/nfs/dbraw/zinc/05/81/25/879058125.db2.gz	NAAOUOLGZDSVGN-MGPQQGTHSA-N	1	0	354.389	1.704	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)CC1	ZINC000922761996	879202783	/nfs/dbraw/zinc/20/27/83/879202783.db2.gz	DWORILYIJODKDY-SQNIBIBYSA-N	1	0	373.501	1.777	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)CC1	ZINC000922761983	879203549	/nfs/dbraw/zinc/20/35/49/879203549.db2.gz	GOHWYRMMYIORAJ-HZPDHXFCSA-N	1	0	368.481	1.750	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnoc2C(C)C)C[C@H]1C	ZINC001106828865	879234313	/nfs/dbraw/zinc/23/43/13/879234313.db2.gz	PLRDLWAXLJRITN-QLFBSQMISA-N	1	0	360.458	1.234	20	30		FDEDRO
C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1	ZINC001004496449	879717166	/nfs/dbraw/zinc/71/71/66/879717166.db2.gz	AKDXBPHKKKPXHY-LWYYNNOASA-N	1	0	360.498	1.764	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCC3(F)F)C[C@@H]2O)nn1	ZINC001083843667	879962070	/nfs/dbraw/zinc/96/20/70/879962070.db2.gz	SRSMGDGHXFSUDC-GUTXKFCHSA-N	1	0	369.416	1.065	20	30		FDEDRO
C#CCCCCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]cn1	ZINC001061520261	879992784	/nfs/dbraw/zinc/99/27/84/879992784.db2.gz	WATYEEVRLUSDCC-ARFHVFGLSA-N	1	0	358.442	1.050	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ncoc2C2CC2)C[C@H]1C	ZINC001106835971	880055006	/nfs/dbraw/zinc/05/50/06/880055006.db2.gz	UXXVJKWKORKLJG-UMVBOHGHSA-N	1	0	360.458	1.540	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)[C@H](C)C1	ZINC000993913357	880128203	/nfs/dbraw/zinc/12/82/03/880128203.db2.gz	JEFDTJBYZVJWQW-QGPMSJSTSA-N	1	0	371.485	1.585	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCN(CC(F)(F)F)C3)[C@H]2C1	ZINC001083176444	912540775	/nfs/dbraw/zinc/54/07/75/912540775.db2.gz	UCFSNGGPCMBLNE-SOUVJXGZSA-N	1	0	361.408	1.358	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)c3c[nH]cc3C)[C@H](C)C2)CC1	ZINC000994032235	880474531	/nfs/dbraw/zinc/47/45/31/880474531.db2.gz	YKAJNKLUARRBRK-SJLPKXTDSA-N	1	0	370.497	1.493	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)[C@@H](C)SC)C[C@H]2C)CC1	ZINC000994137827	880900479	/nfs/dbraw/zinc/90/04/79/880900479.db2.gz	WQJCHLSHMVVGHP-BFYDXBDKSA-N	1	0	365.543	1.294	20	30		FDEDRO
C=CCn1c(C)nn(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1=S	ZINC000763329972	881111798	/nfs/dbraw/zinc/11/17/98/881111798.db2.gz	APRYFVLHNJRWCJ-WBVHZDCISA-N	1	0	364.563	1.824	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cnn(CCCOC)c2)C[C@H]1C	ZINC001106852199	881126269	/nfs/dbraw/zinc/12/62/69/881126269.db2.gz	HJZNHXBENOCQCZ-IAGOWNOFSA-N	1	0	364.490	1.420	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1	ZINC001106858238	881137682	/nfs/dbraw/zinc/13/76/82/881137682.db2.gz	BHIZIPZURAJOLK-IAGOWNOFSA-N	1	0	357.454	1.594	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CCC[N@H+]2C)nc1	ZINC001004738880	881173175	/nfs/dbraw/zinc/17/31/75/881173175.db2.gz	GNJAFBHSLYRLPF-BGTYHANMSA-N	1	0	352.438	1.019	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CC[NH+](CC2)C3)nc1	ZINC001004742567	881190683	/nfs/dbraw/zinc/19/06/83/881190683.db2.gz	OWWSPXRPKUNFGC-NXHRZFHOSA-N	1	0	364.449	1.020	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)C2CCC(C(=O)N(C)C)CC2)[C@@H](O)C1	ZINC001083945018	912657042	/nfs/dbraw/zinc/65/70/42/912657042.db2.gz	IAZXQPLRLACOQF-BACDZXNISA-N	1	0	351.491	1.009	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)N[C@H]1CCC[N@H+](CCCO)C1	ZINC000916015071	881291725	/nfs/dbraw/zinc/29/17/25/881291725.db2.gz	LSYVTXNPCNRUKF-KRWDZBQOSA-N	1	0	365.499	1.441	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCOC[C@@H]2[C@@H]2CC[C@H](COC)O2)CC1	ZINC000917141931	883130080	/nfs/dbraw/zinc/13/00/80/883130080.db2.gz	LDZGYMLPCMCOHK-KURKYZTESA-N	1	0	367.490	1.241	20	30		FDEDRO
C=CCOCC(=O)N[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1	ZINC001060693061	883238852	/nfs/dbraw/zinc/23/88/52/883238852.db2.gz	MZSCDZOKFIAUIS-XLAORIBOSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1CN(C/C=C\c2ccccc2)C[C@@H]1n1ccnn1	ZINC001128821247	883721533	/nfs/dbraw/zinc/72/15/33/883721533.db2.gz	NOPDJRARDOSGFS-HJYXSIQESA-N	1	0	367.453	1.536	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[N@@H+](CCOc2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001128821724	883724507	/nfs/dbraw/zinc/72/45/07/883724507.db2.gz	YZGBZEUMLAGLCS-MOPGFXCFSA-N	1	0	369.469	1.973	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](CCc2ccccc2F)C[C@@H]1n1ccnn1	ZINC001128829066	883751376	/nfs/dbraw/zinc/75/13/76/883751376.db2.gz	AAPCESKYADDZNF-XYPHTWIQSA-N	1	0	356.405	1.161	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnn(CC)c2)[C@@H](n2ccnn2)C1	ZINC001128834811	883806619	/nfs/dbraw/zinc/80/66/19/883806619.db2.gz	SAWMBTSSIYSMRN-UAGQMJEPSA-N	1	0	357.462	1.505	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2n[nH]c(C)c2C)[C@@H](n2ccnn2)C1	ZINC001128838438	883810483	/nfs/dbraw/zinc/81/04/83/883810483.db2.gz	CUFGPYGHYUSHBR-MAZHCROVSA-N	1	0	357.462	1.628	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nnc(C)n2CCC)C1	ZINC000999428414	912752038	/nfs/dbraw/zinc/75/20/38/912752038.db2.gz	QVTXPTUBNYAECD-BACDZXNISA-N	1	0	361.490	1.667	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnccc2C)[C@@H](n2ccnn2)C1	ZINC001128845245	883827846	/nfs/dbraw/zinc/82/78/46/883827846.db2.gz	APDVFETZNZSBJG-JQHSSLGASA-N	1	0	354.458	1.992	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cc(C)on2)[C@@H](n2ccnn2)C1	ZINC001128845826	883830727	/nfs/dbraw/zinc/83/07/27/883830727.db2.gz	UOORXZWIJRKWAI-XYPHTWIQSA-N	1	0	358.446	1.513	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nc(C3CC3)nn2C)C1	ZINC000999431811	912761642	/nfs/dbraw/zinc/76/16/42/912761642.db2.gz	RVABPLIVOZZCCY-FJBKBRRZSA-N	1	0	359.474	1.363	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000917899701	883906891	/nfs/dbraw/zinc/90/68/91/883906891.db2.gz	XNLWIBSHGONCRZ-OAHLLOKOSA-N	1	0	350.463	1.393	20	30		FDEDRO
C#CCOCCC(=O)N(C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001078962694	884037072	/nfs/dbraw/zinc/03/70/72/884037072.db2.gz	VYKVZMXXEBTRCX-FGTMMUONSA-N	1	0	363.502	1.206	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2c(C)ccn2C)[C@@H](n2ccnn2)C1	ZINC001128929273	884145390	/nfs/dbraw/zinc/14/53/90/884145390.db2.gz	FDTHUOFSEAOLIC-BBWFWOEESA-N	1	0	356.474	1.935	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)Cc2cncnc2)[C@@H](n2ccnn2)C1	ZINC001128934966	884153555	/nfs/dbraw/zinc/15/35/55/884153555.db2.gz	GQEHWJQCEKPGRI-MSOLQXFVSA-N	1	0	371.489	1.623	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)CC1	ZINC000918284291	884285999	/nfs/dbraw/zinc/28/59/99/884285999.db2.gz	PSCLHGMGOUBPPF-MRXNPFEDSA-N	1	0	358.417	1.328	20	30		FDEDRO
C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1	ZINC001034400371	884304023	/nfs/dbraw/zinc/30/40/23/884304023.db2.gz	VWLWDDMXWBYFEI-FGTMMUONSA-N	1	0	363.502	1.703	20	30		FDEDRO
CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1	ZINC001034401163	884306093	/nfs/dbraw/zinc/30/60/93/884306093.db2.gz	ZOUAMWNVTFIGEM-FGTMMUONSA-N	1	0	361.486	1.150	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(c3nc(C)cc(C#N)n3)C2)CC[N@@H+]1C	ZINC001061757960	884461688	/nfs/dbraw/zinc/46/16/88/884461688.db2.gz	SYEOQLSZRUNXOY-BHYGNILZSA-N	1	0	356.474	1.330	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2nn(C)cc2C)[C@@H](n2ccnn2)C1	ZINC001128966743	884479129	/nfs/dbraw/zinc/47/91/29/884479129.db2.gz	LQXYHSZLZHHTGP-OAGGEKHMSA-N	1	0	357.462	1.330	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2nn(C)cc2C)[C@@H](n2ccnn2)C1	ZINC001128966962	884482729	/nfs/dbraw/zinc/48/27/29/884482729.db2.gz	UVKWCLODHVAAMT-SJORKVTESA-N	1	0	371.489	1.722	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CCC2CCN(C(=O)[C@]34C[C@H]3COC4)CC2)C1=O	ZINC001034569849	884507501	/nfs/dbraw/zinc/50/75/01/884507501.db2.gz	JQIPEWLRGGCITB-ZWOKBUDYSA-N	1	0	361.486	1.028	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CCC2CCN(C(=O)[C@]34C[C@H]3COC4)CC2)C1=O	ZINC001034569848	884508047	/nfs/dbraw/zinc/50/80/47/884508047.db2.gz	JQIPEWLRGGCITB-QKLQHJQFSA-N	1	0	361.486	1.028	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC2CC3(CCC3)C2)C[C@@H]1n1ccnn1	ZINC001128989170	884804553	/nfs/dbraw/zinc/80/45/53/884804553.db2.gz	LINCOJOSZGDXCA-JQHSSLGASA-N	1	0	371.485	1.238	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)[C@@H](n2ccnn2)C1	ZINC001128999095	884958710	/nfs/dbraw/zinc/95/87/10/884958710.db2.gz	PQELHEYIDNBTRU-MANSERQUSA-N	1	0	366.469	1.785	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nnnn2C)CC1	ZINC001034751038	884959936	/nfs/dbraw/zinc/95/99/36/884959936.db2.gz	HXYUOSKTAGKQPJ-JKQORVJESA-N	1	0	362.478	1.098	20	30		FDEDRO
C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C1	ZINC000918956001	885077193	/nfs/dbraw/zinc/07/71/93/885077193.db2.gz	HUABMUNFICYYNU-HNNXBMFYSA-N	1	0	357.863	1.289	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](C)OC)C[C@@H]1n1ccnn1	ZINC001129014825	885131002	/nfs/dbraw/zinc/13/10/02/885131002.db2.gz	UKKGACZENFXPKV-BNOWGMLFSA-N	1	0	355.870	1.433	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2nn(CC)nc2C)C1	ZINC000999537872	912908601	/nfs/dbraw/zinc/90/86/01/912908601.db2.gz	CRJGJKPZAVJURN-OBQMCRIKSA-N	1	0	361.490	1.667	20	30		FDEDRO
C#CCC1(NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CCCCC1	ZINC000919060909	885259901	/nfs/dbraw/zinc/25/99/01/885259901.db2.gz	PSKODLQMTBHAQO-SFHVURJKSA-N	1	0	362.518	1.418	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1C[N@H+](CC=C(C)C)C[C@@H]1n1ccnn1)OCC	ZINC001129029853	885342633	/nfs/dbraw/zinc/34/26/33/885342633.db2.gz	MNIWRYLETQROPL-SQNIBIBYSA-N	1	0	361.490	1.957	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cc3n(n2)CCC3)[C@@H](n2ccnn2)C1	ZINC001129032641	885367771	/nfs/dbraw/zinc/36/77/71/885367771.db2.gz	RJCDVDVHAFLJDT-SJORKVTESA-N	1	0	355.446	1.042	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@]23C[C@H]2COC3)cc1C#N	ZINC001034941512	885397455	/nfs/dbraw/zinc/39/74/55/885397455.db2.gz	SNKUVZXVFYJYQQ-QKLQHJQFSA-N	1	0	355.438	1.684	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cnc3n[nH]cc3c2)[C@@H](n2ccnn2)C1	ZINC001129060935	885630511	/nfs/dbraw/zinc/63/05/11/885630511.db2.gz	YWVYHUUVUOVGRH-CVEARBPZSA-N	1	0	366.429	1.171	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCCO[C@@H]3CCOC3)[C@H](C)C2)nc1	ZINC001106894139	885691969	/nfs/dbraw/zinc/69/19/69/885691969.db2.gz	BTFIEALAMJYWHC-BHIYHBOVSA-N	1	0	371.481	1.556	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CCc2cccc(OC)c2)[C@@H](n2ccnn2)C1	ZINC001129103695	885701494	/nfs/dbraw/zinc/70/14/94/885701494.db2.gz	QECUPOWLBZQQTC-MOPGFXCFSA-N	1	0	367.453	1.284	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C(C)C)[C@H](C)C2)nc1	ZINC001106894417	885751211	/nfs/dbraw/zinc/75/12/11/885751211.db2.gz	KNWIUJXVHOYEBQ-SOLBZPMBSA-N	1	0	370.497	1.616	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)NCCC)[C@H](C)C2)nc1	ZINC001106894671	885769619	/nfs/dbraw/zinc/76/96/19/885769619.db2.gz	RTTSJSNMCVGPHS-HLLBOEOZSA-N	1	0	356.470	1.275	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)N(C)C(C)C)[C@H](C)C2)cn1	ZINC001106894931	885825089	/nfs/dbraw/zinc/82/50/89/885825089.db2.gz	ZMVZVKGOVSLYQQ-JFIYKMOQSA-N	1	0	370.497	1.616	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](OCC)C2CCCC2)[C@@H](n2ccnn2)C1	ZINC001129147509	885874487	/nfs/dbraw/zinc/87/44/87/885874487.db2.gz	CILKBKKNQFPERY-SQNIBIBYSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C(F)(F)F)[C@@H](n2ccnn2)C1	ZINC001129199411	886265777	/nfs/dbraw/zinc/26/57/77/886265777.db2.gz	IGLQZKNILVESKR-UPJWGTAASA-N	1	0	361.368	1.021	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(C[NH+](CCn3cccn3)C2)CC1	ZINC001035706970	886338890	/nfs/dbraw/zinc/33/88/90/886338890.db2.gz	AJCSVHVEMWOIPZ-MSOLQXFVSA-N	1	0	358.486	1.789	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCCc3nc(C)no3)[C@H](C)C2)nc1	ZINC001106898188	886384931	/nfs/dbraw/zinc/38/49/31/886384931.db2.gz	XIJDMWMPCQXOBP-RHSMWYFYSA-N	1	0	367.453	1.685	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cccc(Cn3cccnc3=O)c2)CC1	ZINC000919972772	886481067	/nfs/dbraw/zinc/48/10/67/886481067.db2.gz	AVKSBGWJDXMZOG-UHFFFAOYSA-N	1	0	350.422	1.575	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C2	ZINC000920274649	886799282	/nfs/dbraw/zinc/79/92/82/886799282.db2.gz	OHWPXBSORJCKDJ-BDXSIMOUSA-N	1	0	363.483	1.316	20	30		FDEDRO
CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)CC3(C#N)CC3)C2)[C@H]1C(C)C	ZINC000920302899	886840300	/nfs/dbraw/zinc/84/03/00/886840300.db2.gz	JMLQFEWSWJNOKD-ANQUJSFKSA-N	1	0	355.504	1.079	20	30		FDEDRO
CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)CCCCC#N)C2)[C@H]1C(C)C	ZINC000920294912	886870533	/nfs/dbraw/zinc/87/05/33/886870533.db2.gz	GZZGHJBKKGQMNN-VQHPVUNQSA-N	1	0	357.520	1.469	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(c2ccc(N3CC[NH+](CC)CC3)cc2)C1=O	ZINC000804200218	886891473	/nfs/dbraw/zinc/89/14/73/886891473.db2.gz	ANHRUOCVEQLJOU-KRWDZBQOSA-N	1	0	358.442	1.456	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@H](CN(C)c3ncc(C#N)cc3F)C2)CC[N@@H+]1C	ZINC001062185926	886987073	/nfs/dbraw/zinc/98/70/73/886987073.db2.gz	AOWCBJFDVDSMKD-IJEWVQPXSA-N	1	0	359.449	1.717	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccn(C)c2CC)[C@@H](n2ccnn2)C1	ZINC001129266808	887053830	/nfs/dbraw/zinc/05/38/30/887053830.db2.gz	RIZFLQJLEVFZCQ-AEFFLSMTSA-N	1	0	356.474	1.801	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)Nc3ccc(C4CC4)nn3)CC2)CC1	ZINC000328613250	887593263	/nfs/dbraw/zinc/59/32/63/887593263.db2.gz	QEJYCEXCFRCTKQ-UHFFFAOYSA-N	1	0	358.490	2.239	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)NC1CCC(C)([NH+]2CCCC2)CC1	ZINC000921281400	887601111	/nfs/dbraw/zinc/60/11/11/887601111.db2.gz	NDKIFOGBTAGMKG-UHFFFAOYSA-N	1	0	372.535	1.480	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2N(C)C)C[C@H]1OC	ZINC001212255117	887790373	/nfs/dbraw/zinc/79/03/73/887790373.db2.gz	DBLKNZVZEFQPLH-SZVBFZGTSA-N	1	0	359.470	1.106	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)CCO[C@@H](C)CC(C)C)[C@H](OC)C1	ZINC001212255318	887861187	/nfs/dbraw/zinc/86/11/87/887861187.db2.gz	IZHKIMHSJVVKGV-RCCFBDPRSA-N	1	0	356.507	1.846	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1C)C1CC[NH+](C)CC1	ZINC000921423218	887934204	/nfs/dbraw/zinc/93/42/04/887934204.db2.gz	MRQDUHWBMVUVMF-MAUKXSAKSA-N	1	0	360.502	1.372	20	30		FDEDRO
Cc1cc(NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)nn1-c1cccc(F)c1	ZINC000329296060	887936038	/nfs/dbraw/zinc/93/60/38/887936038.db2.gz	SRWBUIFZVLXTOY-MRXNPFEDSA-N	1	0	360.437	1.892	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@H]2Cc3cccc(O)c3C2)CC1	ZINC000429318824	887998559	/nfs/dbraw/zinc/99/85/59/887998559.db2.gz	PKOBLYSOVDCKCB-FUHWJXTLSA-N	1	0	356.470	1.141	20	30		FDEDRO
C[C@@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1cn(C)nn1	ZINC000923093067	888008925	/nfs/dbraw/zinc/00/89/25/888008925.db2.gz	XTALECIDWOAGRA-CQSZACIVSA-N	1	0	367.457	1.712	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](CC[NH+](C)C)c1cccnc1	ZINC000921479504	888051155	/nfs/dbraw/zinc/05/11/55/888051155.db2.gz	LAYOICIRTOWXGU-GOEBONIOSA-N	1	0	353.492	1.390	20	30		FDEDRO
C[NH+](C)CC[C@H](NS(=O)(=O)c1ccc(C#N)s1)c1cccnc1	ZINC000921479183	888051816	/nfs/dbraw/zinc/05/18/16/888051816.db2.gz	CPYPBCPOSLNNDR-AWEZNQCLSA-N	1	0	350.469	1.986	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2cccc(OC)c2)C[C@H]1OC	ZINC001212257928	888071842	/nfs/dbraw/zinc/07/18/42/888071842.db2.gz	KLCRKSZYQUXSRQ-KFKAGJAMSA-N	1	0	360.454	1.612	20	30		FDEDRO
C#CCN(C(=O)NCc1ccccc1CC(=O)OC)C1CC[NH+](C)CC1	ZINC000923125565	888102434	/nfs/dbraw/zinc/10/24/34/888102434.db2.gz	FYNCZIHHBAELDL-UHFFFAOYSA-N	1	0	357.454	1.641	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](CCCCC(F)(F)F)C[C@H]1OC	ZINC001212262244	888153640	/nfs/dbraw/zinc/15/36/40/888153640.db2.gz	INPMVJUQTNPACH-ZIAGYGMSSA-N	1	0	350.381	1.574	20	30		FDEDRO
C[NH+]=C(NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N)NC1CC1	ZINC000175450229	888224370	/nfs/dbraw/zinc/22/43/70/888224370.db2.gz	VZVPAQBUOAQROL-UHFFFAOYSA-N	1	0	351.458	1.895	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CCCc2ccc(F)cc2)[C@@H](n2ccnn2)C1	ZINC001129280750	888245459	/nfs/dbraw/zinc/24/54/59/888245459.db2.gz	SNTKMSWHQYEOTP-MOPGFXCFSA-N	1	0	369.444	1.805	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1OC	ZINC001212267768	888435222	/nfs/dbraw/zinc/43/52/22/888435222.db2.gz	BECBZQNVOWRMQJ-QZTJIDSGSA-N	1	0	356.507	1.990	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@@H]2CCNC(=O)CC2)CC1	ZINC001006021290	888757940	/nfs/dbraw/zinc/75/79/40/888757940.db2.gz	CZTFJUKQMSZMOY-JQHSSLGASA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1	ZINC000938546299	888769420	/nfs/dbraw/zinc/76/94/20/888769420.db2.gz	ULUQOHSQQCVCIQ-LNLFQRSKSA-N	1	0	363.502	1.513	20	30		FDEDRO
C#CCN(C(=O)NCCN1C[C@H]2CCCCN2C1=O)C1CC[NH+](C)CC1	ZINC000923327552	888923234	/nfs/dbraw/zinc/92/32/34/888923234.db2.gz	NMWBPOAAJXZRPN-QGZVFWFLSA-N	1	0	361.490	1.016	20	30		FDEDRO
Cc1ccccc1[C@H]([C@@H](C)NC(=O)CNc1ccc(C#N)cn1)[NH+](C)C	ZINC000443402162	888996710	/nfs/dbraw/zinc/99/67/10/888996710.db2.gz	XUURWOPFHMNYHU-QRWLVFNGSA-N	1	0	351.454	2.481	20	30		FDEDRO
C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1	ZINC001089692668	889103546	/nfs/dbraw/zinc/10/35/46/889103546.db2.gz	AIIDARCCYWOBSW-BBWFWOEESA-N	1	0	365.518	1.805	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)CN1CCC[C@@H](C[NH3+])[C@H]1C(F)(F)F	ZINC000923399862	889133368	/nfs/dbraw/zinc/13/33/68/889133368.db2.gz	ILZFNWAYIVWSAT-DZKIICNBSA-N	1	0	357.376	1.900	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](OCC[NH+](CC)CC)C2)C1	ZINC000658659738	889200464	/nfs/dbraw/zinc/20/04/64/889200464.db2.gz	KDYFOQOCUKNEIO-ROUUACIJSA-N	1	0	365.518	1.760	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)C2(CCOCC)CCC2)[C@H](OC)C1	ZINC001212287516	889638588	/nfs/dbraw/zinc/63/85/88/889638588.db2.gz	ZZCCFRMXEOOBGD-IAGOWNOFSA-N	1	0	354.491	1.601	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC000938968330	889721835	/nfs/dbraw/zinc/72/18/35/889721835.db2.gz	FYAYYVFTPFXBFZ-HYVNUMGLSA-N	1	0	354.454	1.076	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)N([C@@H](C)C1CC1)C1CC1	ZINC001127608992	889746095	/nfs/dbraw/zinc/74/60/95/889746095.db2.gz	LDONIDYPTSNYLR-QGTPRVQTSA-N	1	0	363.502	1.463	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)c2nnn(Cc3ccc(F)cc3)c2C)C1	ZINC000923561104	889805002	/nfs/dbraw/zinc/80/50/02/889805002.db2.gz	RMJZMVRDPSUPNC-KRWDZBQOSA-N	1	0	355.417	1.601	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1cccc(OC)c1	ZINC001127613023	889936693	/nfs/dbraw/zinc/93/66/93/889936693.db2.gz	LIDLNZMRNJVPDU-SJORKVTESA-N	1	0	361.442	1.321	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1CN(C(=O)C[N@H+](C)C2CCC2)C1	ZINC001006164650	889945402	/nfs/dbraw/zinc/94/54/02/889945402.db2.gz	HCGNRCLTFBDJGG-LJHODMEESA-N	1	0	363.502	1.415	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CNC(=O)c2ccoc2)[C@H](OC)C1	ZINC001212313288	890046695	/nfs/dbraw/zinc/04/66/95/890046695.db2.gz	LZULRNBWYPRMKE-IAGOWNOFSA-N	1	0	363.458	1.571	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)Oc2ccccc2F)[C@H](OC)C1	ZINC001212318646	890062619	/nfs/dbraw/zinc/06/26/19/890062619.db2.gz	FCZWLVAUQOBRBG-YXJHDRRASA-N	1	0	366.433	1.611	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2nsc3ccccc32)[C@H](OC)C1	ZINC001212319037	890084535	/nfs/dbraw/zinc/08/45/35/890084535.db2.gz	WJSKAZQMXKDHMZ-HUUCEWRRSA-N	1	0	361.467	1.928	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)Cc2ccc(OC)cc2C)[C@H](OC)C1	ZINC001212320784	890098966	/nfs/dbraw/zinc/09/89/66/890098966.db2.gz	AUZXQJCORTULSZ-RTBURBONSA-N	1	0	362.470	1.564	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CCN(c3ccnc(C#N)n3)C2)CC[N@@H+]1C	ZINC001063145893	890240629	/nfs/dbraw/zinc/24/06/29/890240629.db2.gz	FEUWTHUXZYGPSH-OWCLPIDISA-N	1	0	356.474	1.506	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(NC(=O)C[C@H]2CC[N@@H+](C)C2)CCC1	ZINC001063205040	890294091	/nfs/dbraw/zinc/29/40/91/890294091.db2.gz	ARYLGCUVMJERGT-RYRKJORJSA-N	1	0	363.502	1.465	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)c3cc(C#N)c[nH]3)CCC2)CC[N@@H+]1C	ZINC001063227441	890352705	/nfs/dbraw/zinc/35/27/05/890352705.db2.gz	PPSLMKPYTSOTFF-GOEBONIOSA-N	1	0	357.458	1.385	20	30		FDEDRO
C#Cc1cncc(C(=O)NC2(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCC2)c1	ZINC001063229160	890358777	/nfs/dbraw/zinc/35/87/77/890358777.db2.gz	YQVHDSJYBCYART-ZWKOTPCHSA-N	1	0	368.481	1.562	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CCNc3cncc(C#N)n3)C2)CC[N@@H+]1C	ZINC001063302258	890429485	/nfs/dbraw/zinc/42/94/85/890429485.db2.gz	SCYLEOFLPJTARX-HLLBOEOZSA-N	1	0	356.474	1.729	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)c2ccnn2[C@@H](C)CC)[C@H](OC)C1	ZINC001212342590	890622113	/nfs/dbraw/zinc/62/21/13/890622113.db2.gz	HLTSRHGKLFDZLC-ZMSDIMECSA-N	1	0	350.463	1.486	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CCN(C(=O)[C@@H]3C[C@H]3CCC)C2)CC1	ZINC000939530105	890814817	/nfs/dbraw/zinc/81/48/17/890814817.db2.gz	KHYUMDRYIPEYOE-CEXWTWQISA-N	1	0	359.514	1.827	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CCCNC(=O)C(F)(F)F)C[C@H]1OC	ZINC001212346912	891521269	/nfs/dbraw/zinc/52/12/69/891521269.db2.gz	ILVYYDXDAFUEMA-CHWSQXEVSA-N	1	0	365.396	1.227	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCC[N@H+](C)C1CCCC1	ZINC000181828369	891572396	/nfs/dbraw/zinc/57/23/96/891572396.db2.gz	AANSGYJLZJBMIM-CQSZACIVSA-N	1	0	358.442	1.907	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]2C)c1	ZINC000940011822	891630234	/nfs/dbraw/zinc/63/02/34/891630234.db2.gz	DJARVBVXKDUYKW-ZTFGCOKTSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC[NH+]([C@H]2CCCN(C)C2=O)CC1	ZINC001001929893	891631131	/nfs/dbraw/zinc/63/11/31/891631131.db2.gz	AMHYOMNPHUWGCP-BZSNNMDCSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@H]2C)c1	ZINC000940012324	891631772	/nfs/dbraw/zinc/63/17/72/891631772.db2.gz	JTNKBLMWKULOJU-ZWQIFLOQSA-N	1	0	368.481	1.370	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CC[NH+]([C@H]2CCCNC2=O)CC1	ZINC001001932473	891683093	/nfs/dbraw/zinc/68/30/93/891683093.db2.gz	CAJDKDCHFUKWDZ-BZSNNMDCSA-N	1	0	363.502	1.465	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C#N)[nH]1)C2	ZINC001002086118	891907879	/nfs/dbraw/zinc/90/78/79/891907879.db2.gz	OEXWCHKJXVWPMU-BGTYHANMSA-N	1	0	369.469	1.621	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2ccnn2CCOC)[C@H](OC)C1	ZINC001212444323	891932580	/nfs/dbraw/zinc/93/25/80/891932580.db2.gz	QFLUISAZAXZMFB-SJLPKXTDSA-N	1	0	366.506	1.929	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(C#N)c1)C2	ZINC001002143227	891982522	/nfs/dbraw/zinc/98/25/22/891982522.db2.gz	RSXOBDLMQOLOFI-DXEWXGHRSA-N	1	0	355.442	1.232	20	30		FDEDRO
C[NH+](C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(C#N)c1)C2)C1CC1	ZINC001002143198	891982816	/nfs/dbraw/zinc/98/28/16/891982816.db2.gz	RGZCEJZJHICIKZ-NCOADZHNSA-N	1	0	355.442	1.088	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C1	ZINC001002201482	892225041	/nfs/dbraw/zinc/22/50/41/892225041.db2.gz	PBKBHUVLASNFIH-AOIWGVFYSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)cc1	ZINC000940308134	892244935	/nfs/dbraw/zinc/24/49/35/892244935.db2.gz	RSFWSTJQCQDZTR-VQIMIIECSA-N	1	0	367.493	1.977	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1	ZINC001002219167	892247659	/nfs/dbraw/zinc/24/76/59/892247659.db2.gz	KUGPHFAXCIAZQB-IKGGRYGDSA-N	1	0	351.491	1.128	20	30		FDEDRO
C[C@@H]1[C@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1C	ZINC000921871002	892348595	/nfs/dbraw/zinc/34/85/95/892348595.db2.gz	PBRTVIGXHDSGLR-XYPHTWIQSA-N	1	0	355.442	1.445	20	30		FDEDRO
CCC[C@@H](NC(N)=O)C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1	ZINC001106923297	892609290	/nfs/dbraw/zinc/60/92/90/892609290.db2.gz	MWIVYHUNIOUCKI-BHIYHBOVSA-N	1	0	370.497	1.559	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cc(C)c(F)cc2F)[C@H](OC)C1	ZINC001212448164	892658031	/nfs/dbraw/zinc/65/80/31/892658031.db2.gz	AMJOPBGGQZPWDC-IAGOWNOFSA-N	1	0	354.397	1.905	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C[C@H]1C	ZINC001106925619	892730720	/nfs/dbraw/zinc/73/07/20/892730720.db2.gz	OISZTXONOASQKI-INMHGKMJSA-N	1	0	357.520	1.109	20	30		FDEDRO
CC[C@H](C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2F)C[C@H]1OC)[NH+](C)C	ZINC001212461164	893838699	/nfs/dbraw/zinc/83/86/99/893838699.db2.gz	RNTVPIJTMWTJNV-KZNAEPCWSA-N	1	0	362.449	1.353	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3ncsc3c2)C[C@H]1C	ZINC001106948835	893887824	/nfs/dbraw/zinc/88/78/24/893887824.db2.gz	NZIAGGSZVGJVCB-UKRRQHHQSA-N	1	0	370.478	1.343	20	30		FDEDRO
C=CCOc1ccccc1C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000995126973	893985845	/nfs/dbraw/zinc/98/58/45/893985845.db2.gz	FUHPGHXXVSCKMU-GDBMZVCRSA-N	1	0	357.454	1.532	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[N@@H+](C[C@@H](O)c4ccccc4)C[C@H]32)c1	ZINC001084261477	913866087	/nfs/dbraw/zinc/86/60/87/913866087.db2.gz	LNHWAMFJDXFTAB-BHIYHBOVSA-N	1	0	350.422	1.766	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Br)o1	ZINC000922023377	894424006	/nfs/dbraw/zinc/42/40/06/894424006.db2.gz	IHQKRHFNGFWJFV-UHFFFAOYSA-N	1	0	361.261	1.760	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-]	ZINC000922023625	894427190	/nfs/dbraw/zinc/42/71/90/894427190.db2.gz	JYUANYFFMSOIFY-UHFFFAOYSA-N	1	0	365.455	1.930	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000922023665	894430289	/nfs/dbraw/zinc/43/02/89/894430289.db2.gz	KYHLFOUHLLVUFS-UHFFFAOYSA-N	1	0	371.846	1.966	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C	ZINC000922022570	894510985	/nfs/dbraw/zinc/51/09/85/894510985.db2.gz	OGHRDSDNZAXFTH-UHFFFAOYSA-N	1	0	365.455	1.930	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)CC[C@H]1CC1(Cl)Cl	ZINC000922026218	894540485	/nfs/dbraw/zinc/54/04/85/894540485.db2.gz	RIZSGYOVQQBNTL-LBPRGKRZSA-N	1	0	353.315	1.930	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C(=O)OC)cc1	ZINC000922027582	894551797	/nfs/dbraw/zinc/55/17/97/894551797.db2.gz	XXQTYEMIFBUJJM-UHFFFAOYSA-N	1	0	350.440	1.191	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106957964	895064245	/nfs/dbraw/zinc/06/42/45/895064245.db2.gz	PMCIMSZOOYJXBP-NVXWUHKLSA-N	1	0	355.417	1.153	20	30		FDEDRO
C=C(C)CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)CC2)C1	ZINC000941571080	895288712	/nfs/dbraw/zinc/28/87/12/895288712.db2.gz	KVKSQGFXGBUYKA-QZTJIDSGSA-N	1	0	357.502	1.318	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C2C[NH+](C[C@H](CC)OC)C2)CC1	ZINC000941604050	895366448	/nfs/dbraw/zinc/36/64/48/895366448.db2.gz	PKAZKQFHHLZCJE-FHWLQOOXSA-N	1	0	365.518	1.221	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C	ZINC001106960308	895490799	/nfs/dbraw/zinc/49/07/99/895490799.db2.gz	JNZNTJKVWHLDBK-HZPDHXFCSA-N	1	0	364.490	1.311	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](C[C@@H](O)Cc2ccc(F)cc2)C1	ZINC001031987828	896176746	/nfs/dbraw/zinc/17/67/46/896176746.db2.gz	ARIHUDISVHQSLN-OTWHNJEPSA-N	1	0	362.445	1.368	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)[C@H](OC)C1	ZINC000942120656	896399735	/nfs/dbraw/zinc/39/97/35/896399735.db2.gz	NIYLFRLHYOZIHC-BZUAXINKSA-N	1	0	351.491	1.415	20	30		FDEDRO
O=C(NO)c1ccc(CNC(=O)C2CC[NH+](Cc3ccncc3)CC2)cc1	ZINC000671997428	896491986	/nfs/dbraw/zinc/49/19/86/896491986.db2.gz	UPZTXQKUWNDQST-UHFFFAOYSA-N	1	0	368.437	1.729	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3OCC[C@H]3C(C)C)nn2)C1	ZINC000999986989	896519330	/nfs/dbraw/zinc/51/93/30/896519330.db2.gz	MFFBPAADHAYXTF-SQNIBIBYSA-N	1	0	359.474	1.226	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3ccncc3)nn2)C1	ZINC000999988350	896522807	/nfs/dbraw/zinc/52/28/07/896522807.db2.gz	UDGLSHOKCSPMPK-CEXWTWQISA-N	1	0	366.469	1.916	20	30		FDEDRO
C[NH+](C)CCOc1cccc(CC(=O)NCc2ccc(C(=O)NO)cc2)c1	ZINC000671997126	896591390	/nfs/dbraw/zinc/59/13/90/896591390.db2.gz	NTUQPQOWXUCCQN-UHFFFAOYSA-N	1	0	371.437	1.605	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNC(=O)c2ccn(-c3cccc(C#N)c3)n2)CCCO1	ZINC000282304605	896928903	/nfs/dbraw/zinc/92/89/03/896928903.db2.gz	LLFJYBZCJXASAJ-INIZCTEOSA-N	1	0	367.453	1.975	20	30		FDEDRO
CCn1nccc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000445620959	897418325	/nfs/dbraw/zinc/41/83/25/897418325.db2.gz	QJSBIYRTOAYARX-UHFFFAOYSA-N	1	0	368.441	1.304	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCc4ccccc43)C[C@H]2O)nc1	ZINC001078031195	897669273	/nfs/dbraw/zinc/66/92/73/897669273.db2.gz	HJMFPQSSOOJNTL-QHAWAJNXSA-N	1	0	361.445	1.915	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@H]2OCCO[C@H]2C)C1	ZINC000995269594	897672686	/nfs/dbraw/zinc/67/26/86/897672686.db2.gz	YNMZJGGWSLPMBD-WDSOQIARSA-N	1	0	357.454	1.169	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(CCn2cc(Cl)cn2)C1	ZINC001032048094	897858119	/nfs/dbraw/zinc/85/81/19/897858119.db2.gz	UNCSTWBWWUNCGC-HOTGVXAUSA-N	1	0	352.866	1.566	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H](N(CC)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC000942813734	897897004	/nfs/dbraw/zinc/89/70/04/897897004.db2.gz	METNPSLXBSRIPZ-ATZDWAIDSA-N	1	0	368.481	1.466	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C1CC[NH+](C(C)C)CC1	ZINC001078171536	898264665	/nfs/dbraw/zinc/26/46/65/898264665.db2.gz	KOQHHINBJKWSRB-JQHSSLGASA-N	1	0	365.518	1.709	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c3ncccc23)C[C@H]1C	ZINC001106997814	898424590	/nfs/dbraw/zinc/42/45/90/898424590.db2.gz	WPAJHZIRBGIRNB-ZIAGYGMSSA-N	1	0	355.442	1.163	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1	ZINC000943268712	898564523	/nfs/dbraw/zinc/56/45/23/898564523.db2.gz	CVZOOEYCPDEEAI-KSZLIROESA-N	1	0	363.502	1.561	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccccn2)C1	ZINC001078402445	898734004	/nfs/dbraw/zinc/73/40/04/898734004.db2.gz	NSIJGTSDSSIPED-OTWHNJEPSA-N	1	0	359.470	1.770	20	30		FDEDRO
C[C@@H]1CC[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3ccccc3C#N)C2)O1	ZINC001078474998	898810762	/nfs/dbraw/zinc/81/07/62/898810762.db2.gz	BACOPLUAFJPKGS-ATZDWAIDSA-N	1	0	357.454	1.833	20	30		FDEDRO
C[C@@H]1CC[C@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3ccc(C#N)cc3)C2)O1	ZINC001078475003	898811147	/nfs/dbraw/zinc/81/11/47/898811147.db2.gz	BBDFGCAHKOAZGG-AYOQOUSVSA-N	1	0	357.454	1.833	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2ccn(C)n2)C1	ZINC001078485660	898842057	/nfs/dbraw/zinc/84/20/57/898842057.db2.gz	CZPCGNXOFSCXSF-SQNIBIBYSA-N	1	0	362.474	1.108	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccn(CC(F)F)n2)[C@H](OC)C1	ZINC001212441006	899027817	/nfs/dbraw/zinc/02/78/17/899027817.db2.gz	XBOVOBJGHROPID-BPLDGKMQSA-N	1	0	356.417	1.932	20	30		FDEDRO
Cc1ccccc1[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001107016964	899552268	/nfs/dbraw/zinc/55/22/68/899552268.db2.gz	JPRMGZJZUJRXRA-BRWVUGGUSA-N	1	0	356.470	1.422	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C)C(=O)N(C)C	ZINC001107017048	899553496	/nfs/dbraw/zinc/55/34/96/899553496.db2.gz	MWJYKKPNQOBFQW-ZIFCJYIRSA-N	1	0	355.482	1.589	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2CNC(=O)[C@H]2CC[C@@H](C)O2)CC1	ZINC000944073732	899805932	/nfs/dbraw/zinc/80/59/32/899805932.db2.gz	WGRAQLHSUHGUAG-KBAYOESNSA-N	1	0	361.486	1.006	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1	ZINC000415650790	899903411	/nfs/dbraw/zinc/90/34/11/899903411.db2.gz	QIXVXECEYBVXBQ-SWLSCSKDSA-N	1	0	359.430	1.319	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@H](OC)C2)C1	ZINC000944395954	900212086	/nfs/dbraw/zinc/21/20/86/900212086.db2.gz	AWLSYUAZZWJLOR-HZPDHXFCSA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC=C)[C@H](C)C2)CCCCC1	ZINC001107059170	900311411	/nfs/dbraw/zinc/31/14/11/900311411.db2.gz	VVFCJUSDYRWLLJ-QZTJIDSGSA-N	1	0	359.514	1.947	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+][C@H]2CCN(C(C)(C)C)C2=O)[C@H](C)C1	ZINC001107063527	900449582	/nfs/dbraw/zinc/44/95/82/900449582.db2.gz	RFYSUOYXCLFNDX-ZACQAIPSSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC=C)CC=C)[C@H](C)C1	ZINC001107065607	900456050	/nfs/dbraw/zinc/45/60/50/900456050.db2.gz	UZHSLDFXRRSWDK-QZTJIDSGSA-N	1	0	363.502	1.464	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@H](C)CCC)[C@H](C)C1	ZINC001107065837	900457517	/nfs/dbraw/zinc/45/75/17/900457517.db2.gz	ZIHLGVVNNDWOLF-BRWVUGGUSA-N	1	0	353.507	1.568	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CC(c3ccccc3)C2)C[C@H]1C	ZINC001107068821	900481136	/nfs/dbraw/zinc/48/11/36/900481136.db2.gz	BOYKFDCWRNDDOF-SGZDXZSOSA-N	1	0	367.493	1.614	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COC2CCC(C)CC2)C[C@H]1C	ZINC001107072033	900501334	/nfs/dbraw/zinc/50/13/34/900501334.db2.gz	BLHYNUHVFNPSNH-QLOLRVAOSA-N	1	0	363.502	1.015	20	30		FDEDRO
CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@H]1CCCN(c2ccccc2F)C1	ZINC000185547606	900558534	/nfs/dbraw/zinc/55/85/34/900558534.db2.gz	UJAXPJBFFRRGDD-HNNXBMFYSA-N	1	0	363.481	1.826	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC(F)(F)C(F)(F)F)C[C@H]1C	ZINC001107097590	900916614	/nfs/dbraw/zinc/91/66/14/900916614.db2.gz	ULOKFWIWFCRTFH-GHMZBOCLSA-N	1	0	369.334	1.008	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC3(CN(C(=O)C#CC4CC4)C3)CC2)CC[N@@H+]1C	ZINC000944947373	901081168	/nfs/dbraw/zinc/08/11/68/901081168.db2.gz	CGTDIGXOASMXRB-ZWKOTPCHSA-N	1	0	357.498	1.581	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1	ZINC000945060106	901250682	/nfs/dbraw/zinc/25/06/82/901250682.db2.gz	OVQLJIDDQMWNJN-ZACQAIPSSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]cn2)[C@@H](n2ccnn2)C1	ZINC001129312690	901276883	/nfs/dbraw/zinc/27/68/83/901276883.db2.gz	LOYXDURARXAHKZ-OIISXLGYSA-N	1	0	357.462	1.188	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2Cc3cccc(C)c3O2)C[C@H]1C	ZINC001107105052	901278013	/nfs/dbraw/zinc/27/80/13/901278013.db2.gz	CSIRGONLRIZVFD-QRQLOZEOSA-N	1	0	356.466	1.632	20	30		FDEDRO
C[NH+](C)C1(CC(=O)N2CC[C@H]3CN(c4ccc(C#N)nn4)C[C@H]32)CCCC1	ZINC001090345829	901761408	/nfs/dbraw/zinc/76/14/08/901761408.db2.gz	HSLOVPSFNZWYSW-DOTOQJQBSA-N	1	0	368.485	1.650	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNc2nc(C)cc(C#N)n2)CC[N@@H+]1C	ZINC001065033655	901798718	/nfs/dbraw/zinc/79/87/18/901798718.db2.gz	UXSSFAOVPYAUPQ-YESZJQIVSA-N	1	0	356.474	1.790	20	30		FDEDRO
Cc1nsc(N2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)c1C#N	ZINC001090352246	901800307	/nfs/dbraw/zinc/80/03/07/901800307.db2.gz	XNQSWDPSISJMEI-DZGCQCFKSA-N	1	0	359.499	1.702	20	30		FDEDRO
C[NH+](C)CCCC(=O)N1CC[C@H]2CN(c3ncc(C#N)cc3Cl)C[C@H]21	ZINC001090354020	901820296	/nfs/dbraw/zinc/82/02/96/901820296.db2.gz	KLGDDBSVJHJLRE-GOEBONIOSA-N	1	0	361.877	1.986	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@@H]4CCC(=O)NC4)[C@@H]3C2)c1	ZINC001084400180	914571212	/nfs/dbraw/zinc/57/12/12/914571212.db2.gz	LQTAZOAEAFKJOK-QXAKKESOSA-N	1	0	366.465	1.507	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@@H]1O	ZINC001083934980	901913441	/nfs/dbraw/zinc/91/34/41/901913441.db2.gz	HNEDHOWKLAKACA-CVEARBPZSA-N	1	0	359.470	1.858	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnc(C)cn2)C1	ZINC001079125926	901924078	/nfs/dbraw/zinc/92/40/78/901924078.db2.gz	JNZGHJZDOBCRGE-WOJBJXKFSA-N	1	0	364.449	1.496	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCNC(=O)C2)C1	ZINC001079132268	901944334	/nfs/dbraw/zinc/94/43/34/901944334.db2.gz	CBYDVHSZBSISDN-IPMKNSEASA-N	1	0	371.481	1.163	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccn(C)n2)C1	ZINC001079146719	901969016	/nfs/dbraw/zinc/96/90/16/901969016.db2.gz	CIAOSWIQMHIVHD-RTBURBONSA-N	1	0	354.454	1.684	20	30		FDEDRO
C#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccc(=O)[nH]c2)C1	ZINC001079147071	901971827	/nfs/dbraw/zinc/97/18/27/901971827.db2.gz	VKRDRDQKBHBUMN-QZTJIDSGSA-N	1	0	351.406	1.108	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CN2CCCC2=O)CC[C@H]1c1ccc(F)cc1	ZINC001079148984	901977966	/nfs/dbraw/zinc/97/79/66/901977966.db2.gz	WKURDANZSBAAFX-ZWKOTPCHSA-N	1	0	357.429	1.355	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCNC2=O)CC[C@H]1c1ccc(F)cc1	ZINC001079153601	901989642	/nfs/dbraw/zinc/98/96/42/901989642.db2.gz	PPBZXNZMBPQITR-BPQIPLTHSA-N	1	0	359.445	1.812	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C2CC(OCC)C2)C1	ZINC001079133681	901993955	/nfs/dbraw/zinc/99/39/55/901993955.db2.gz	VNHCRYKSMCYVKR-TZWRJOPASA-N	1	0	370.493	1.899	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2nn(C)cc2C)C1	ZINC001079134486	901995864	/nfs/dbraw/zinc/99/58/64/901995864.db2.gz	AWMFBEYRCINCOT-RTBURBONSA-N	1	0	368.481	1.992	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC(=O)N2C)C1	ZINC001079140616	902028006	/nfs/dbraw/zinc/02/80/06/902028006.db2.gz	RTONNBJIGDPLNQ-IPMKNSEASA-N	1	0	371.481	1.257	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCNC2=O)C1	ZINC001079140490	902028111	/nfs/dbraw/zinc/02/81/11/902028111.db2.gz	LDNLSKHTZMOJTF-IPMKNSEASA-N	1	0	371.481	1.163	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)CC[C@H]1c1ccc(F)cc1	ZINC001079157114	902076231	/nfs/dbraw/zinc/07/62/31/902076231.db2.gz	ZYBFCUUOXOXPEN-RCCFBDPRSA-N	1	0	357.429	1.211	20	30		FDEDRO
C=CCCC(=O)NCCCCC[NH+]1CCN(C(=O)[C@]23C[C@H]2COC3)CC1	ZINC001079158404	902078658	/nfs/dbraw/zinc/07/86/58/902078658.db2.gz	HFPHWLLWFILEQZ-PXNSSMCTSA-N	1	0	363.502	1.420	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(CC=C)nn2)CC[C@H]1c1ccc(F)cc1	ZINC001079160011	902081924	/nfs/dbraw/zinc/08/19/24/902081924.db2.gz	BSISQGUTDWHHTA-ZWKOTPCHSA-N	1	0	367.428	1.824	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N2C[C@@H](c3cccc(F)c3)[C@H](NCC#N)C2)CC1	ZINC001079201890	902101878	/nfs/dbraw/zinc/10/18/78/902101878.db2.gz	HLZAUYBFOCYORG-RBUKOAKNSA-N	1	0	358.461	1.965	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(=O)N2CCC(C)CC2)C[C@H]1c1cccc(F)c1	ZINC001079202507	902103078	/nfs/dbraw/zinc/10/30/78/902103078.db2.gz	YHFODCFTGYDPSP-RBUKOAKNSA-N	1	0	371.456	1.601	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCN(C(C)=O)C2)C[C@H]1c1cccc(F)c1	ZINC001079205900	902111334	/nfs/dbraw/zinc/11/13/34/902111334.db2.gz	KIRZRXQKQNOJQW-ZVDOUQERSA-N	1	0	371.456	1.601	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc(C(N)=O)n2)C[C@H]1c1cccc(F)c1	ZINC001079210968	902120936	/nfs/dbraw/zinc/12/09/36/902120936.db2.gz	KTYYUNSDZLQZNB-MAUKXSAKSA-N	1	0	366.396	1.151	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2ccnn2C)C[C@H]1c1cccc(F)c1	ZINC001079186673	902133841	/nfs/dbraw/zinc/13/38/41/902133841.db2.gz	XTUIYUYJDMMNEG-RBUKOAKNSA-N	1	0	354.429	1.709	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn(CCF)c2)C[C@H]1c1cccc(F)c1	ZINC001079189212	902140004	/nfs/dbraw/zinc/14/00/04/902140004.db2.gz	JEGQHPHCLPRXHV-ZWKOTPCHSA-N	1	0	358.392	1.823	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C(C)C)C[C@H]1c1cccc(F)c1	ZINC001079195401	902157261	/nfs/dbraw/zinc/15/72/61/902157261.db2.gz	SRDAYYGJOLSWKH-OTWHNJEPSA-N	1	0	371.456	1.742	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)/C=C\c3ccc[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079239205	902183625	/nfs/dbraw/zinc/18/36/25/902183625.db2.gz	IHWKVUQIBKNEKY-OXUXSNCKSA-N	1	0	353.466	1.991	20	30		FDEDRO
Cn1cc(C[NH+]2CCC3(CN(C(=O)C#CC4CC4)[C@@H]4COC[C@@H]43)CC2)cn1	ZINC001079241185	902192243	/nfs/dbraw/zinc/19/22/43/902192243.db2.gz	ODEHJLJZFLPPAH-RBUKOAKNSA-N	1	0	368.481	1.273	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2cn(C)nn2)C[C@H]1c1cccc(F)c1	ZINC001079212218	902197988	/nfs/dbraw/zinc/19/79/88/902197988.db2.gz	PFWDNJNYTBOUKM-ZWKOTPCHSA-N	1	0	355.417	1.104	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccoc2)C3)CC1	ZINC000995762891	902207356	/nfs/dbraw/zinc/20/73/56/902207356.db2.gz	WWAPNUBEHHQTLD-SQNIBIBYSA-N	1	0	355.438	1.487	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cncnc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079225216	902233282	/nfs/dbraw/zinc/23/32/82/902233282.db2.gz	ZHOOVSVZPGGRGS-ZWKOTPCHSA-N	1	0	354.454	1.361	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3n[nH]c(C)c3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079228482	902243560	/nfs/dbraw/zinc/24/35/60/902243560.db2.gz	ODIABSSDIYPCHP-DLBZAZTESA-N	1	0	356.470	1.603	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC2(CC[NH+](Cc3ccns3)CC2)[C@H]2COC[C@H]21	ZINC001079228515	902243791	/nfs/dbraw/zinc/24/37/91/902243791.db2.gz	PCOOMWYKXLBHSY-VNQPRFMTSA-N	1	0	360.483	1.742	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)Cc3cn(C)nc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079245577	902253488	/nfs/dbraw/zinc/25/34/88/902253488.db2.gz	AODADRPQXICUBR-RBUKOAKNSA-N	1	0	370.497	1.234	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc4cccn4cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079247058	902259995	/nfs/dbraw/zinc/25/99/95/902259995.db2.gz	JOZAIPCGPRESOK-PKOBYXMFSA-N	1	0	364.449	1.521	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCn4cncc4C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079248010	902262603	/nfs/dbraw/zinc/26/26/03/902262603.db2.gz	BYWVMFPCAWTXBM-NZSAHSFTSA-N	1	0	370.497	1.571	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCn4nccc43)[C@@H]3COC[C@@H]32)CC1	ZINC001079248359	902263963	/nfs/dbraw/zinc/26/39/63/902263963.db2.gz	VHBWVRSUPODTBM-JENIJYKNSA-N	1	0	368.481	1.333	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)[C@@H]3COC[C@@H]32)CC1	ZINC001079252489	902274589	/nfs/dbraw/zinc/27/45/89/902274589.db2.gz	LKXRXYCBIFQFET-LTFXXXRZSA-N	1	0	360.498	1.927	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cn(C)nc3OC)[C@@H]3COC[C@@H]32)CC1	ZINC001079253679	902276716	/nfs/dbraw/zinc/27/67/16/902276716.db2.gz	BVGGZHOFOZAKAY-JKSUJKDBSA-N	1	0	360.458	1.168	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3c(C)nn(C)c3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079254484	902279722	/nfs/dbraw/zinc/27/97/22/902279722.db2.gz	FMPZDSDRIHFWGA-DLBZAZTESA-N	1	0	358.486	1.776	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3c(C)cnn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079256721	902286458	/nfs/dbraw/zinc/28/64/58/902286458.db2.gz	BNTIDBIGJMRQIW-DLBZAZTESA-N	1	0	356.470	1.305	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3c(C)nc[nH]c3=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079256780	902286522	/nfs/dbraw/zinc/28/65/22/902286522.db2.gz	FKRLJXVTVWGPPS-JKSUJKDBSA-N	1	0	370.453	1.067	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3conc3CC)[C@@H]3COC[C@@H]32)CC1	ZINC001079259577	902294524	/nfs/dbraw/zinc/29/45/24/902294524.db2.gz	HSWXWZAHIBVGQA-FUHWJXTLSA-N	1	0	357.454	1.813	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)N2CC3(CCN(CC#N)CC3)[C@H]3COC[C@H]32)C1	ZINC001079259859	902296331	/nfs/dbraw/zinc/29/63/31/902296331.db2.gz	RQGCMVXBVJBTHM-DLBZAZTESA-N	1	0	360.502	1.181	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CN(C(=O)Cc3cnc[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079262808	902304066	/nfs/dbraw/zinc/30/40/66/902304066.db2.gz	BXFABQOORGXNQS-ZWKOTPCHSA-N	1	0	358.486	1.858	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC3(CC[NH+](CC(=C)C)CC3)[C@H]3COC[C@H]32)nn1	ZINC001079265303	902310482	/nfs/dbraw/zinc/31/04/82/902310482.db2.gz	CKQILPLQNQENHR-FUHWJXTLSA-N	1	0	371.485	1.593	20	30		FDEDRO
C=C(Cl)CN1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)[C@@H]2C1	ZINC001084404922	914614630	/nfs/dbraw/zinc/61/46/30/914614630.db2.gz	SDWYIKJDKVVKCX-KBAYOESNSA-N	1	0	367.921	1.915	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@H]3Cc4cccnc4C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079271704	902333849	/nfs/dbraw/zinc/33/38/49/902333849.db2.gz	ZYKCTXJMODSCDN-CMKODMSKSA-N	1	0	367.493	1.922	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)CCc3cncn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079272176	902335071	/nfs/dbraw/zinc/33/50/71/902335071.db2.gz	FZIRPEXZAXNHPU-RBUKOAKNSA-N	1	0	370.497	1.315	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3ccnc(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079273951	902337026	/nfs/dbraw/zinc/33/70/26/902337026.db2.gz	XZKUGLMFQKNACW-FUHWJXTLSA-N	1	0	356.470	1.914	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1c1ccccc1F	ZINC001079300359	902344836	/nfs/dbraw/zinc/34/48/36/902344836.db2.gz	DRRNDNFLHNWOGL-FUHWJXTLSA-N	1	0	355.413	1.908	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@H]1c1ccccc1F	ZINC001079300597	902346635	/nfs/dbraw/zinc/34/66/35/902346635.db2.gz	PJSNGGQOPAPKJE-DOTOQJQBSA-N	1	0	366.458	1.330	20	30		FDEDRO
N#CCN1CCC2(CN(C(=O)CC[NH+]3CCCCC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079274697	902356188	/nfs/dbraw/zinc/35/61/88/902356188.db2.gz	XMARTSRACPEMLB-ZWKOTPCHSA-N	1	0	360.502	1.325	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)CCn3cc(C)cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079274560	902356325	/nfs/dbraw/zinc/35/63/25/902356325.db2.gz	VPLLOZQLVBFAAH-ZWKOTPCHSA-N	1	0	356.470	1.154	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)CC)C[C@H]2c2ccccc2F)C1=O	ZINC001079275222	902357644	/nfs/dbraw/zinc/35/76/44/902357644.db2.gz	JMDFYVMIUSPYQP-RYQLBKOJSA-N	1	0	359.445	1.907	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1c1ccccc1F	ZINC001079284718	902376653	/nfs/dbraw/zinc/37/66/53/902376653.db2.gz	MVTYDQTXEUGXNB-GOEBONIOSA-N	1	0	354.447	1.330	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc(N(C)C)cn2)C[C@H]1c1ccccc1F	ZINC001079295349	902398634	/nfs/dbraw/zinc/39/86/34/902398634.db2.gz	BVKGSMMSMHJDCN-MAUKXSAKSA-N	1	0	367.428	1.513	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@H]1c1ccccc1F	ZINC001079316998	902413122	/nfs/dbraw/zinc/41/31/22/902413122.db2.gz	IPFRVCMYHUTUCZ-WMLDXEAASA-N	1	0	356.401	1.637	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)N2CCCC2=O)C[C@H]1c1ccccc1F	ZINC001079318382	902417630	/nfs/dbraw/zinc/41/76/30/902417630.db2.gz	ALQILNHVENITQE-HHXXYDBFSA-N	1	0	371.456	1.744	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)C[C@H]1c1ccccc1F	ZINC001079307280	902438657	/nfs/dbraw/zinc/43/86/57/902438657.db2.gz	AMRPOEMCHJVZGF-XAUMDUMWSA-N	1	0	359.445	1.812	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(C#N)c1)C2	ZINC000996123391	903154122	/nfs/dbraw/zinc/15/41/22/903154122.db2.gz	RSXOBDLMQOLOFI-VZEFYGNVSA-N	1	0	355.442	1.232	20	30		FDEDRO
CCn1nnc(C)c1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C	ZINC001079839012	903470584	/nfs/dbraw/zinc/47/05/84/903470584.db2.gz	YGYINJPLCYZITH-CXAGYDPISA-N	1	0	352.442	1.728	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1CN(C(=O)C2(C[NH+](C)C)CC2)C1	ZINC001079857629	903531977	/nfs/dbraw/zinc/53/19/77/903531977.db2.gz	YBQQKJMQYONIJP-SJORKVTESA-N	1	0	363.502	1.369	20	30		FDEDRO
C=CCC[C@H](C)[NH+]1CC(n2cc(CNC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)nn2)C1	ZINC001107188541	903753538	/nfs/dbraw/zinc/75/35/38/903753538.db2.gz	XLDBWHXWYMSVCS-STEAMIEHSA-N	1	0	373.501	1.921	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cncc4[nH]ccc43)C2)C1=O	ZINC001080045988	903941648	/nfs/dbraw/zinc/94/16/48/903941648.db2.gz	MUVHUBQTLDESNM-FSPWUOQZSA-N	1	0	367.453	1.400	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)c2c[nH+]ccc2N(C)C)C1	ZINC000996494250	904012872	/nfs/dbraw/zinc/01/28/72/904012872.db2.gz	CUFNFRSSEXZWDQ-YOEHRIQHSA-N	1	0	358.442	1.069	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)Nc1ccccc1C(=O)N1CCC(C(N)=O)CC1	ZINC000764240337	904129642	/nfs/dbraw/zinc/12/96/42/904129642.db2.gz	OEIRDHBKUZVDMC-UHFFFAOYSA-N	1	0	358.442	1.080	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)OCCCC)CCC[C@@H]12	ZINC001107319358	904448741	/nfs/dbraw/zinc/44/87/41/904448741.db2.gz	LUBFAODDDIQSEW-SQGPQFPESA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N[C@@H](C)CCC)CC2	ZINC001107329280	904492784	/nfs/dbraw/zinc/49/27/84/904492784.db2.gz	OHFSGGHUQIEYCR-SQGPQFPESA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3ccoc3)CCC[C@@H]12	ZINC001107357251	904581424	/nfs/dbraw/zinc/58/14/24/904581424.db2.gz	ZBRNMJOJZDYJJH-YLJYHZDGSA-N	1	0	359.470	1.875	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCCC1)CC2	ZINC001107378961	904623337	/nfs/dbraw/zinc/62/33/37/904623337.db2.gz	UURXGIDOHDXNTL-LSTHTHJFSA-N	1	0	363.502	1.297	20	30		FDEDRO
C#CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H]1CCS(=O)(=O)C1)CC2	ZINC001107384075	904658405	/nfs/dbraw/zinc/65/84/05/904658405.db2.gz	NOCRPOYHVWKJJA-ZHALLVOQSA-N	1	0	366.527	1.585	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3sccc3F)CCC[C@@H]12	ZINC001107392481	904688728	/nfs/dbraw/zinc/68/87/28/904688728.db2.gz	CIBUGBCNWYYNDO-CXAGYDPISA-N	1	0	364.446	1.501	20	30		FDEDRO
CC(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H]1CCNC(=O)CC1)CC2	ZINC001107396888	904711150	/nfs/dbraw/zinc/71/11/50/904711150.db2.gz	MRSAWSDDEJKWFL-DBXWQHBBSA-N	1	0	359.514	1.923	20	30		FDEDRO
CO[C@@H]1CN(CC[C@H]2CC2(Cl)Cl)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC001081507157	904717884	/nfs/dbraw/zinc/71/78/84/904717884.db2.gz	HSLIIFVUFFPWPZ-IACUBPJLSA-N	1	0	371.268	1.899	20	30		FDEDRO
O=C(C#CC1CC1)NC[C@]12CCC[C@H]1[N@H+](C[C@H](O)Cn1cccn1)CC2	ZINC001107399696	904729747	/nfs/dbraw/zinc/72/97/47/904729747.db2.gz	FLTCEVWOYOJRJA-NLWGTHIKSA-N	1	0	356.470	1.018	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccn4ccccc34)C2)C1=O	ZINC001080107140	904773179	/nfs/dbraw/zinc/77/31/79/904773179.db2.gz	QCAIZSHNILTIEP-SZVBFZGTSA-N	1	0	366.465	1.776	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cc(C)n(C)n1)CC2	ZINC001107401777	904783119	/nfs/dbraw/zinc/78/31/19/904783119.db2.gz	CAGRMDNHSYKOLV-ILZDJORESA-N	1	0	358.486	1.628	20	30		FDEDRO
Cc1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)cc(C)n1	ZINC001107419186	904798342	/nfs/dbraw/zinc/79/83/42/904798342.db2.gz	KAKFLVUHLQCFHU-YLJYHZDGSA-N	1	0	369.469	1.313	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)Cn4ncnn4)CCC[C@@H]23)cc1	ZINC001107412403	904810996	/nfs/dbraw/zinc/81/09/96/904810996.db2.gz	YZHURWZCEZTOGF-IEBWSBKVSA-N	1	0	365.441	1.106	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCOCC(F)F)CCC[C@@H]12	ZINC001107412290	904811803	/nfs/dbraw/zinc/81/18/03/904811803.db2.gz	SDLWHVPDIFZPJD-CRAIPNDOSA-N	1	0	358.429	1.669	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C(C)C	ZINC001081658940	904890566	/nfs/dbraw/zinc/89/05/66/904890566.db2.gz	GKEBWPNSXNLNSY-VAMGGRTRSA-N	1	0	370.497	1.746	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnn4c3CCC4)CCC[C@@H]12	ZINC001107429770	904924912	/nfs/dbraw/zinc/92/49/12/904924912.db2.gz	RMLOCLCNILQPQS-UYAOXDASSA-N	1	0	356.470	1.454	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3cncs3)CCC[C@@H]12	ZINC001107444771	904948710	/nfs/dbraw/zinc/94/87/10/904948710.db2.gz	BGDOYZDVVADQIP-CRAIPNDOSA-N	1	0	362.499	1.349	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)[C@H](OC)C1	ZINC001081720500	904954924	/nfs/dbraw/zinc/95/49/24/904954924.db2.gz	QAHOUWMZDXZSBH-OWCLPIDISA-N	1	0	351.491	1.415	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CC3CC(F)(F)C3)CCC[C@@H]12	ZINC001107457505	905024217	/nfs/dbraw/zinc/02/42/17/905024217.db2.gz	YSQJOOFXJBNNFA-CRAIPNDOSA-N	1	0	367.440	1.532	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)CC(F)F)CCC[C@@H]12	ZINC001107474740	905128977	/nfs/dbraw/zinc/12/89/77/905128977.db2.gz	ABONXNORBKBDDD-HBUWYVDXSA-N	1	0	355.429	1.388	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCc3nccn3C)CCC[C@@H]12	ZINC001107480989	905132920	/nfs/dbraw/zinc/13/29/20/905132920.db2.gz	ADGUMZFKTIQZBE-YLJYHZDGSA-N	1	0	358.486	1.363	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21	ZINC001080292368	905142913	/nfs/dbraw/zinc/14/29/13/905142913.db2.gz	PZAQOWUBIKUMSD-SFKBXODTSA-N	1	0	355.438	1.418	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CCC[C@@H]12	ZINC001107476886	905143220	/nfs/dbraw/zinc/14/32/20/905143220.db2.gz	SAFYEJUTXHBTMB-WXRGLTTHSA-N	1	0	360.498	1.812	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](OC)C3CCC3)CCC[C@@H]12	ZINC001107488813	905212513	/nfs/dbraw/zinc/21/25/13/905212513.db2.gz	YIVXZMUWPOUEJB-IMFGXOCKSA-N	1	0	363.502	1.465	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3cncc(C)c3)CCC[C@@H]12	ZINC001107489113	905213880	/nfs/dbraw/zinc/21/38/80/905213880.db2.gz	LYVNZCGMVIAGPE-WIYYLYMNSA-N	1	0	368.481	1.043	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)Nc3ccccc3)CCC[C@@H]12	ZINC001107491298	905220083	/nfs/dbraw/zinc/22/00/83/905220083.db2.gz	PNUBRADKKVJTHC-YLJYHZDGSA-N	1	0	354.454	1.802	20	30		FDEDRO
CC[C@H](F)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(CC)CCC#N)CC2	ZINC001107503917	905229039	/nfs/dbraw/zinc/22/90/39/905229039.db2.gz	UPQUIULXUGMJBX-FRQCXROJSA-N	1	0	366.481	1.857	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1CCCc2nn[nH]c21	ZINC001080346076	905259443	/nfs/dbraw/zinc/25/94/43/905259443.db2.gz	LVCMJGCGLPMHJA-RPVQJOFSSA-N	1	0	364.453	1.733	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3Cc4ccccc43)CCC[C@@H]12	ZINC001107522605	905300922	/nfs/dbraw/zinc/30/09/22/905300922.db2.gz	KLGIKOGNWUOJBT-WOIUINJBSA-N	1	0	367.493	1.989	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](OC)C1	ZINC001081929209	905367476	/nfs/dbraw/zinc/36/74/76/905367476.db2.gz	CKJNVKITQYSOQC-HZPDHXFCSA-N	1	0	361.833	1.449	20	30		FDEDRO
C=C1CCC(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)CC1	ZINC001107532188	905396690	/nfs/dbraw/zinc/39/66/90/905396690.db2.gz	LJARDIGJOLCIKH-YLJYHZDGSA-N	1	0	358.486	1.733	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)NS(C)(=O)=O)CCC[C@@H]12	ZINC001107558619	905611229	/nfs/dbraw/zinc/61/12/29/905611229.db2.gz	CLBWFZKXVXDMFL-UMVBOHGHSA-N	1	0	363.911	1.037	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)COC3CCOCC3)CCC[C@@H]12	ZINC001107564070	905660596	/nfs/dbraw/zinc/66/05/96/905660596.db2.gz	HBYKJGDAHBVSSQ-UYAOXDASSA-N	1	0	366.502	1.745	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC001082066369	905705190	/nfs/dbraw/zinc/70/51/90/905705190.db2.gz	NURJXRCDCYKLOT-XAMWDVODSA-N	1	0	370.497	1.604	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001080592974	905714567	/nfs/dbraw/zinc/71/45/67/905714567.db2.gz	AOOSMUNCQIQVNI-NOCIGQNYSA-N	1	0	354.454	1.061	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCO[C@H]3C(=C)C)CCC[C@@H]12	ZINC001107573607	905717080	/nfs/dbraw/zinc/71/70/80/905717080.db2.gz	DYVIIFWKBNCVNX-ZDWTUXFCSA-N	1	0	373.497	1.078	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCCCN3CCOCC3)CCC[C@@H]12	ZINC001107578877	905781270	/nfs/dbraw/zinc/78/12/70/905781270.db2.gz	GDIPPRDZKPTUSH-TZIWHRDSSA-N	1	0	361.530	1.873	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)C3CCOCC3)CCC[C@@H]12	ZINC001107579441	905785673	/nfs/dbraw/zinc/78/56/73/905785673.db2.gz	JIIIVTFEXVKRPA-YLJYHZDGSA-N	1	0	363.502	1.466	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CC(C)(C)CO3)C[C@H]2OC)c1	ZINC001082118366	905834029	/nfs/dbraw/zinc/83/40/29/905834029.db2.gz	UVTRJDULFQFWBL-RCCFBDPRSA-N	1	0	357.454	1.307	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)COCc3ncnn3C)CCC[C@@H]12	ZINC001107594062	905878349	/nfs/dbraw/zinc/87/83/49/905878349.db2.gz	CELDGDCKOUVUAH-VQIMIIECSA-N	1	0	361.490	1.659	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)C[N@@H+](C)CCC	ZINC001082103785	905880095	/nfs/dbraw/zinc/88/00/95/905880095.db2.gz	ZPUWQPVNMMUAHN-KSZLIROESA-N	1	0	365.518	1.807	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C(C3CC3)C3CC3)CCC[C@@H]12	ZINC001107606303	905919019	/nfs/dbraw/zinc/91/90/19/905919019.db2.gz	VLTGCPASZMRRJN-DYESRHJHSA-N	1	0	357.498	1.533	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1	ZINC001082134935	905941729	/nfs/dbraw/zinc/94/17/29/905941729.db2.gz	IYYZNOSLQTUULB-ATZDWAIDSA-N	1	0	356.470	1.215	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@H](C)n3cccc3)CCC[C@@H]12	ZINC001107614932	905999063	/nfs/dbraw/zinc/99/90/63/905999063.db2.gz	NWAHQORFWNGLPV-WAOWUJCRSA-N	1	0	370.497	1.549	20	30		FDEDRO
CC[C@@H](C)C(=O)NCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC#CCOC)CC2	ZINC001107637031	906138536	/nfs/dbraw/zinc/13/85/36/906138536.db2.gz	QQEYHWSCWVWBJS-MBOZVWFJSA-N	1	0	363.502	1.159	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C)nc3C)CCC[C@@H]12	ZINC001107640626	906197267	/nfs/dbraw/zinc/19/72/67/906197267.db2.gz	ZTESIQYGFDNDOA-WIYYLYMNSA-N	1	0	370.497	1.975	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCN1CCCC1=O)CC2	ZINC001107650633	906224090	/nfs/dbraw/zinc/22/40/90/906224090.db2.gz	INDOGQQEXLSRFD-SQGPQFPESA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3C(N)=O)CCC[C@@H]12	ZINC001107652121	906237874	/nfs/dbraw/zinc/23/78/74/906237874.db2.gz	CMZDHMSLTYQMTP-FRQCXROJSA-N	1	0	364.490	1.093	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)CCOCCOC)CCC[C@@H]12	ZINC001107649388	906282675	/nfs/dbraw/zinc/28/26/75/906282675.db2.gz	WOJXVBWRIMVOKA-IEBWSBKVSA-N	1	0	354.491	1.603	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)Cc3ccccc3)C[C@H]2C)nc1	ZINC001080808318	906299389	/nfs/dbraw/zinc/29/93/89/906299389.db2.gz	UDQIKCDPVWRFSW-LKUPVBHCSA-N	1	0	363.461	1.717	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3c[nH]c4cccnc43)C2)C1=O	ZINC001080784276	906306267	/nfs/dbraw/zinc/30/62/67/906306267.db2.gz	OGVGQLSTCWJCKJ-XYPHTWIQSA-N	1	0	367.453	1.400	20	30		FDEDRO
COc1ccc(C#N)cc1CN1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1	ZINC001080787903	906315093	/nfs/dbraw/zinc/31/50/93/906315093.db2.gz	XFIXTIHFBIZFLT-CRAIPNDOSA-N	1	0	368.481	1.599	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]2C)nc1	ZINC001080810275	906361053	/nfs/dbraw/zinc/36/10/53/906361053.db2.gz	CKTLUNXVMXMMFT-CRAIPNDOSA-N	1	0	354.454	1.126	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cn(C3CCOCC3)nn2)[C@H](OC)C1	ZINC001082308764	906711397	/nfs/dbraw/zinc/71/13/97/906711397.db2.gz	DBSJEZAHVMWCLW-NVXWUHKLSA-N	1	0	363.462	1.025	20	30		FDEDRO
CCN1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)C1	ZINC001080979081	906842882	/nfs/dbraw/zinc/84/28/82/906842882.db2.gz	AVMJEINGPWMPSW-LZQZEXGQSA-N	1	0	356.470	1.215	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN([C@H](C)c3cnccn3)C[C@H]2C)CC1	ZINC001080998101	906973764	/nfs/dbraw/zinc/97/37/64/906973764.db2.gz	SLGHULPVCXLRBN-GPMSIDNRSA-N	1	0	355.486	1.319	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)cn2C)C[C@H]1c1ccccc1	ZINC001081140914	907249328	/nfs/dbraw/zinc/24/93/28/907249328.db2.gz	DZGZDUCQJFYYND-ZWKOTPCHSA-N	1	0	366.465	1.898	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2c(C)nn(C)c2C)C[C@H]1c1ccccc1	ZINC001081153843	907267757	/nfs/dbraw/zinc/26/77/57/907267757.db2.gz	GYRQFWAKCADGLD-VQTJNVASSA-N	1	0	350.466	1.797	20	30		FDEDRO
C[C@@H](NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C1CCN(CC#N)CC1	ZINC000997094023	907294876	/nfs/dbraw/zinc/29/48/76/907294876.db2.gz	OJAXESYXINZCIY-LZQZEXGQSA-N	1	0	362.518	1.474	20	30		FDEDRO
CS(=O)(=O)N1CCC([NH2+]Cc2cc(C#N)ccc2Br)CC1	ZINC000921516731	907308408	/nfs/dbraw/zinc/30/84/08/907308408.db2.gz	DXJNTCJIXIQASZ-UHFFFAOYSA-N	1	0	372.288	1.834	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cn2nc(C)ccc2=O)C[C@H]1c1ccccc1	ZINC001081216884	907326788	/nfs/dbraw/zinc/32/67/88/907326788.db2.gz	ZJYRHKKGSSUGLP-ZWKOTPCHSA-N	1	0	352.438	1.322	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ncn(C(C)(C)C)n2)C[C@H]1c1ccccc1	ZINC001081179989	907353592	/nfs/dbraw/zinc/35/35/92/907353592.db2.gz	VMDHSRYBKQCDIW-DLBZAZTESA-N	1	0	351.454	1.864	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(CNC(C)=O)o2)C[C@H]1c1ccccc1	ZINC001081197248	907377737	/nfs/dbraw/zinc/37/77/37/907377737.db2.gz	RIIYTCAIXMEKIM-RBUKOAKNSA-N	1	0	365.433	1.747	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc3c(cnn3C)c2)C[C@H]1c1ccccc1	ZINC001081205267	907395097	/nfs/dbraw/zinc/39/50/97/907395097.db2.gz	NIHDAVRCMUAOOE-RBUKOAKNSA-N	1	0	359.433	1.799	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc(Cl)c[nH]3)C[C@H]2C)C1=O	ZINC001082423934	907653957	/nfs/dbraw/zinc/65/39/57/907653957.db2.gz	YQMONQJTCKLBGO-UXIGCNINSA-N	1	0	350.850	1.505	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccc(Cl)o3)C[C@H]2C)C1=O	ZINC001082424249	907654802	/nfs/dbraw/zinc/65/48/02/907654802.db2.gz	JDKWKWZDMOHFHP-FRRDWIJNSA-N	1	0	351.834	1.770	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)CCn3cccn3)C[C@H]2C)cc1C#N	ZINC001082427756	907673462	/nfs/dbraw/zinc/67/34/62/907673462.db2.gz	FNRFATRANUTUAZ-CRAIPNDOSA-N	1	0	367.453	1.790	20	30		FDEDRO
Cc1c(O)ccc2c(C[NH2+][C@@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C)cc(=O)oc12	ZINC001082450839	907729760	/nfs/dbraw/zinc/72/97/60/907729760.db2.gz	JHGPNHVBWVUKAQ-XHBSWPGZSA-N	1	0	369.421	1.903	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1)n1cncn1	ZINC001082481860	907956449	/nfs/dbraw/zinc/95/64/49/907956449.db2.gz	SWQWYKOQTSHTIE-PBFPGSCMSA-N	1	0	356.405	1.487	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cncnc2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082491395	908004604	/nfs/dbraw/zinc/00/46/04/908004604.db2.gz	CORKORQLGLKTFP-FZKQIMNGSA-N	1	0	353.401	1.667	20	30		FDEDRO
Cc1ccnc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)n1	ZINC001082495005	908025818	/nfs/dbraw/zinc/02/58/18/908025818.db2.gz	DEMQSESNCXPSQJ-RDTXWAMCSA-N	1	0	365.437	1.938	20	30		FDEDRO
CCn1nncc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C#N)ccc2OC)C1	ZINC001082502496	908099134	/nfs/dbraw/zinc/09/91/34/908099134.db2.gz	WFYPFKBIMKXKBS-CZUORRHYSA-N	1	0	368.441	1.429	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]Cc1ccc2oc(=O)n(C)c2c1	ZINC001082504768	908115830	/nfs/dbraw/zinc/11/58/30/908115830.db2.gz	FQXAYZPHEXYWKZ-CZUORRHYSA-N	1	0	353.422	1.481	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]CC(=O)N1CCc2ccccc21	ZINC001082504898	908117568	/nfs/dbraw/zinc/11/75/68/908117568.db2.gz	RETWWINQLZYWMH-CRAIPNDOSA-N	1	0	351.450	1.426	20	30		FDEDRO
Cc1cccn(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)c1=O	ZINC001082509033	908165162	/nfs/dbraw/zinc/16/51/62/908165162.db2.gz	LATWNORPVJWKNQ-VQIMIIECSA-N	1	0	364.449	1.665	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCO[C@H](C)C2)C1	ZINC001082533767	908302449	/nfs/dbraw/zinc/30/24/49/908302449.db2.gz	ZCHCSYUSHCPUNF-UMVBOHGHSA-N	1	0	371.909	1.449	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2(C)CC=CC2)CC1	ZINC000997358233	908315488	/nfs/dbraw/zinc/31/54/88/908315488.db2.gz	WXVVWRITZJPVKL-QYZOEREBSA-N	1	0	369.509	1.936	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc[nH]c2)CC1	ZINC000997357815	908326055	/nfs/dbraw/zinc/32/60/55/908326055.db2.gz	QEUHHQFWMPKMHB-SQNIBIBYSA-N	1	0	354.454	1.222	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(C#N)[nH]1	ZINC000997361815	908332001	/nfs/dbraw/zinc/33/20/01/908332001.db2.gz	BKSIXOLABRIPFX-UBDQQSCGSA-N	1	0	369.469	1.622	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(C#N)c1	ZINC000997362284	908335167	/nfs/dbraw/zinc/33/51/67/908335167.db2.gz	GMDYLDZFJSDIKT-VSZNYVQBSA-N	1	0	369.469	1.622	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C[C@H]1C	ZINC001082528636	908381492	/nfs/dbraw/zinc/38/14/92/908381492.db2.gz	DOJLCKJTAINATA-UHOFOFEASA-N	1	0	353.894	1.824	20	30		FDEDRO
CCN1C[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)CC1=O	ZINC001082543533	908424091	/nfs/dbraw/zinc/42/40/91/908424091.db2.gz	ZSBCKJRXMNPXCB-FHLIZLRMSA-N	1	0	354.454	1.363	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc4c(o3)CCCC4)C[C@H]2C)C1=O	ZINC001082553245	908527580	/nfs/dbraw/zinc/52/75/80/908527580.db2.gz	UYUIVSQKIRHHIH-HYVNUMGLSA-N	1	0	371.481	1.995	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3conc3C(C)C)C[C@H]2C)C1=O	ZINC001082555301	908552077	/nfs/dbraw/zinc/55/20/77/908552077.db2.gz	ADVRBBITPFMUAO-FVQBIDKESA-N	1	0	360.458	1.635	20	30		FDEDRO
CC(C)N1C[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)CC1=O	ZINC001082541285	908563514	/nfs/dbraw/zinc/56/35/14/908563514.db2.gz	RTNKHFIIBFTCGG-ATZDWAIDSA-N	1	0	368.481	1.752	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)CCc3ccsc3)C[C@H]2C)C1=O	ZINC001082560675	908621676	/nfs/dbraw/zinc/62/16/76/908621676.db2.gz	MXMMCBDFEVXIIE-HYVNUMGLSA-N	1	0	361.511	1.904	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(OC)ccn2)C1	ZINC001082567803	908702931	/nfs/dbraw/zinc/70/29/31/908702931.db2.gz	CFKAADQKZIVNFP-LZQZEXGQSA-N	1	0	356.470	1.124	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(OC)ns2)C1	ZINC001082568112	908707410	/nfs/dbraw/zinc/70/74/10/908707410.db2.gz	YGLNJJBZTSZVAM-BMFZPTHFSA-N	1	0	362.499	1.186	20	30		FDEDRO
CC[C@@]1(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)CCNC1=O	ZINC001082570922	908734567	/nfs/dbraw/zinc/73/45/67/908734567.db2.gz	HJTRIECPINRXNT-WIBUTAKZSA-N	1	0	354.454	1.411	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)CCc3ccncc3)C[C@H]2C)C1=O	ZINC001082610601	909000462	/nfs/dbraw/zinc/00/04/62/909000462.db2.gz	RJRIWLPRFDWRKF-BPQIPLTHSA-N	1	0	356.470	1.238	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082611036	909004707	/nfs/dbraw/zinc/00/47/07/909004707.db2.gz	ODXXGRBFFFOLPX-QGPMSJSTSA-N	1	0	370.453	1.052	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082615145	909054025	/nfs/dbraw/zinc/05/40/25/909054025.db2.gz	ITRHAZLTCLPQSB-RDTXWAMCSA-N	1	0	350.422	1.507	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CC[N@@H+](C)C1	ZINC000997547437	909124317	/nfs/dbraw/zinc/12/43/17/909124317.db2.gz	AMGZNQSZQFVOGB-YVSFHVDLSA-N	1	0	356.470	1.488	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cnc3c(c2)NC(=O)CO3)C[C@H]1C	ZINC001082621734	909132540	/nfs/dbraw/zinc/13/25/40/909132540.db2.gz	UJIPTLDICBTATL-NOZJJQNGSA-N	1	0	350.806	1.215	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCCC(=O)N2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082632356	909185559	/nfs/dbraw/zinc/18/55/59/909185559.db2.gz	UECVVAZEBFARPH-FHLIZLRMSA-N	1	0	354.454	1.554	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082626752	909213473	/nfs/dbraw/zinc/21/34/73/909213473.db2.gz	IYNAIKRFKUYGPB-RHSMWYFYSA-N	1	0	368.437	1.034	20	30		FDEDRO
Cc1cc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)n(C)n1	ZINC001082641334	909272339	/nfs/dbraw/zinc/27/23/39/909272339.db2.gz	HEWNTUTZIWCBEK-AUUYWEPGSA-N	1	0	351.454	1.779	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082659667	909375296	/nfs/dbraw/zinc/37/52/96/909375296.db2.gz	WLMNCMCWXOBUGD-WIBUTAKZSA-N	1	0	370.453	1.052	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082659795	909375867	/nfs/dbraw/zinc/37/58/67/909375867.db2.gz	BJYLPDYPOQAHJR-SMNXXWJPSA-N	1	0	358.417	1.160	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082662721	909392027	/nfs/dbraw/zinc/39/20/27/909392027.db2.gz	VZOJQHGYNJZSOB-BDJLRTHQSA-N	1	0	370.384	1.640	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2ccnc2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082673500	909514094	/nfs/dbraw/zinc/51/40/94/909514094.db2.gz	SPCUZGYQXXTQCK-RDTXWAMCSA-N	1	0	355.417	1.921	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCC(F)(F)C3)C[C@H]2O)nn1	ZINC001077813950	909535014	/nfs/dbraw/zinc/53/50/14/909535014.db2.gz	LBUZECLCLCVKJU-GZBFAFLISA-N	1	0	369.416	1.065	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3cccc(C)c3)C[C@H]2O)nn1	ZINC001077814160	909587964	/nfs/dbraw/zinc/58/79/64/909587964.db2.gz	WPFYIRBCVLZYLS-SZVBFZGTSA-N	1	0	369.469	1.699	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccn3nnnc3c2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082681256	909594413	/nfs/dbraw/zinc/59/44/13/909594413.db2.gz	FWLTVCGUMJCBFF-CXAGYDPISA-N	1	0	361.409	1.246	20	30		FDEDRO
COc1nn(C)cc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC001082681505	909597786	/nfs/dbraw/zinc/59/77/86/909597786.db2.gz	XEARFAUWWQBSLW-SJKOYZFVSA-N	1	0	371.416	1.690	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCO[C@@H](C)C2)C1	ZINC001082682020	909600941	/nfs/dbraw/zinc/60/09/41/909600941.db2.gz	MJXITUQERGOAIV-OWCLPIDISA-N	1	0	351.491	1.273	20	30		FDEDRO
Cc1cnn(C)c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC001082693068	909635832	/nfs/dbraw/zinc/63/58/32/909635832.db2.gz	FHYMMSFHRRJZCY-CXAGYDPISA-N	1	0	355.417	1.990	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082700403	909678479	/nfs/dbraw/zinc/67/84/79/909678479.db2.gz	SVFDBCYJAAALCA-CSMYWGQOSA-N	1	0	358.417	1.255	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)Cc2ccc(OC)cn2)C[C@H]1C	ZINC001082704752	909711569	/nfs/dbraw/zinc/71/15/69/909711569.db2.gz	YYDYEMTWTODVFG-IAQYHMDHSA-N	1	0	368.275	1.978	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccc4n[nH]cc4c3)C[C@H]2C)C1=O	ZINC001082710775	909768084	/nfs/dbraw/zinc/76/80/84/909768084.db2.gz	MZSDDPOJJOUTIX-JEBQAFNWSA-N	1	0	367.453	1.400	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@@H]3CCCS(=O)(=O)C3)C2)CC1	ZINC001082722956	909833187	/nfs/dbraw/zinc/83/31/87/909833187.db2.gz	QBYLJSOLSQWKBB-SOLBZPMBSA-N	1	0	368.543	1.994	20	30		FDEDRO
CCc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)nnn1CC	ZINC001082737014	909910554	/nfs/dbraw/zinc/91/05/54/909910554.db2.gz	CXSHPOVBBZFXKY-RHSMWYFYSA-N	1	0	366.469	1.982	20	30		FDEDRO
Cc1ccnn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC001082771299	910084440	/nfs/dbraw/zinc/08/44/40/910084440.db2.gz	YHEGDGJUDPMQHS-FZKQIMNGSA-N	1	0	355.417	1.839	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2-c2ccccn2)[C@H](OC)C1	ZINC001212384912	910088993	/nfs/dbraw/zinc/08/89/93/910088993.db2.gz	BIMYDLWJTRVNPO-IAGOWNOFSA-N	1	0	355.442	1.867	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082779114	910127298	/nfs/dbraw/zinc/12/72/98/910127298.db2.gz	NWVNYNWQIOCURB-CZUORRHYSA-N	1	0	363.483	1.318	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccnc(OC)n2)C1	ZINC001082795451	910180006	/nfs/dbraw/zinc/18/00/06/910180006.db2.gz	YWGHIFZJBNPIRI-SPUZQDLCSA-N	1	0	374.485	1.793	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)nn2)C1	ZINC001082795199	910180429	/nfs/dbraw/zinc/18/04/29/910180429.db2.gz	JUAFCVAUXNHUAK-XZKMEQPCSA-N	1	0	374.485	1.793	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(F)cc3F)C2)nn1	ZINC001082791166	910192284	/nfs/dbraw/zinc/19/22/84/910192284.db2.gz	DLFPREKOTNKBNO-MLGOLLRUSA-N	1	0	361.396	1.993	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cn(C(C)C)nc3C)C2)nn1	ZINC001082791688	910193387	/nfs/dbraw/zinc/19/33/87/910193387.db2.gz	WRVPQXQGTSSGLZ-RHSMWYFYSA-N	1	0	371.489	1.800	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(OCC)n3)C2)nn1	ZINC001082792468	910196916	/nfs/dbraw/zinc/19/69/16/910196916.db2.gz	YSACLABFHWBWRE-GDBMZVCRSA-N	1	0	370.457	1.508	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(OC)n3)C2)nn1	ZINC001082792470	910197256	/nfs/dbraw/zinc/19/72/56/910197256.db2.gz	YWWJFRSHTRHVHN-UKRRQHHQSA-N	1	0	356.430	1.118	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)CCc3cn[nH]c3)C[C@H]2C)cc1C#N	ZINC001082794806	910205372	/nfs/dbraw/zinc/20/53/72/910205372.db2.gz	JVUGRCOSQZHFGI-RDTXWAMCSA-N	1	0	367.453	1.859	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1	ZINC000998058724	910253451	/nfs/dbraw/zinc/25/34/51/910253451.db2.gz	NRXQSACJMRKNCG-JQHSSLGASA-N	1	0	363.502	1.417	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2nc3ncccn3n2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082815949	910287619	/nfs/dbraw/zinc/28/76/19/910287619.db2.gz	QWKQGTFINHPLQS-CZUORRHYSA-N	1	0	361.409	1.246	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@@H]2CCNC(=O)CC2)CC1	ZINC000998094331	910331657	/nfs/dbraw/zinc/33/16/57/910331657.db2.gz	JLDQSWVPXTXEQJ-JQHSSLGASA-N	1	0	363.502	1.322	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CCCN(Cc2nncn2C)CC1	ZINC000998129619	910424928	/nfs/dbraw/zinc/42/49/28/910424928.db2.gz	IXXPOZSKJMIYMC-BBWFWOEESA-N	1	0	361.490	1.609	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nccnc2C)C1	ZINC001082851008	910459962	/nfs/dbraw/zinc/45/99/62/910459962.db2.gz	IUBOWFITBCAORE-RHSMWYFYSA-N	1	0	367.453	1.995	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ncnn2CC)CC1	ZINC000998147562	910466501	/nfs/dbraw/zinc/46/65/01/910466501.db2.gz	DGVZPKJAYWMLJT-WMZOPIPTSA-N	1	0	361.490	1.607	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(N)=O)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082851764	910466895	/nfs/dbraw/zinc/46/68/95/910466895.db2.gz	BBPDVOHKNBCHOA-OLMNPRSZSA-N	1	0	369.469	1.428	20	30		FDEDRO
C[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C#N)C1)N1CCCC1=O	ZINC001082856786	910489878	/nfs/dbraw/zinc/48/98/78/910489878.db2.gz	GRNFCNYJIBHJFX-JTDSTZFVSA-N	1	0	368.481	1.896	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2c(C)noc2C)C1	ZINC001082868832	910508561	/nfs/dbraw/zinc/50/85/61/910508561.db2.gz	WUBCYTMMJHVQEJ-FZKQIMNGSA-N	1	0	368.437	1.949	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCCOC2)C1	ZINC001082869054	910509964	/nfs/dbraw/zinc/50/99/64/910509964.db2.gz	MLWZBGKDTZZXNS-JFIYKMOQSA-N	1	0	357.454	1.570	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccnc3OC)C2)nc1	ZINC001082869153	910511436	/nfs/dbraw/zinc/51/14/36/910511436.db2.gz	TVDJMQHQOJBGQF-RDTXWAMCSA-N	1	0	350.422	1.717	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2snnc2C)C1	ZINC001082869245	910513064	/nfs/dbraw/zinc/51/30/64/910513064.db2.gz	ZHZXGAWSLHNFBV-IUODEOHRSA-N	1	0	371.466	1.504	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnc(C)o2)C1	ZINC001082869250	910513699	/nfs/dbraw/zinc/51/36/99/910513699.db2.gz	ZQRXJFUIMQWAPC-CXAGYDPISA-N	1	0	354.410	1.640	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCN(CC=C)C2=O)C1	ZINC001082884985	910665232	/nfs/dbraw/zinc/66/52/32/910665232.db2.gz	WZHGYAGOVWJLBA-LSTHTHJFSA-N	1	0	365.477	1.434	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3sc(C)nc3C)C[C@H]2C)C1=O	ZINC001082908147	910816797	/nfs/dbraw/zinc/81/67/97/910816797.db2.gz	TWQRJBADJSPUQS-BYCMXARLSA-N	1	0	362.499	1.597	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)c2occc2C[NH+](C)C)C1	ZINC000998549280	911214200	/nfs/dbraw/zinc/21/42/00/911214200.db2.gz	FWHBNVYFSDXJJU-HOTGVXAUSA-N	1	0	361.442	1.263	20	30		FDEDRO
CO[C@@H](C[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C#N)c[nH]3)[C@H]2C1)C1CCC1	ZINC001083040586	911763452	/nfs/dbraw/zinc/76/34/52/911763452.db2.gz	UMIAKWQNEHPOKP-OKZBNKHCSA-N	1	0	358.442	1.227	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)CC[C@@H]3CC[C@H](C(F)(F)F)O3)[C@H]2C1	ZINC001083110088	911891225	/nfs/dbraw/zinc/89/12/25/911891225.db2.gz	KODYGKPRIFNFHX-CAOSSQGBSA-N	1	0	374.403	1.811	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](CC)[NH+](C)C)nc1	ZINC000998948969	911895797	/nfs/dbraw/zinc/89/57/97/911895797.db2.gz	UIHCISYNHFQEOI-SPUZQDLCSA-N	1	0	354.454	1.265	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@H+]2CCC[C@H]2C)cn1	ZINC000998955461	911923870	/nfs/dbraw/zinc/92/38/70/911923870.db2.gz	XKHXYDFTIOMRPA-OAOYMFHYSA-N	1	0	366.465	1.409	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cn(-c4ccccc4)cn3)[C@H]2C1	ZINC001083089778	911968860	/nfs/dbraw/zinc/96/88/60/911968860.db2.gz	UIFZYKLZMOHZCY-RBUKOAKNSA-N	1	0	352.438	1.974	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnc4cc[nH]cc-4c3=O)[C@H]2C1	ZINC001083095368	911988697	/nfs/dbraw/zinc/98/86/97/911988697.db2.gz	BSSNWOHAAKIAIK-ZWKOTPCHSA-N	1	0	368.437	1.415	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4cc(OC)ccc43)[C@H]2C1	ZINC001083100785	912016061	/nfs/dbraw/zinc/01/60/61/912016061.db2.gz	YUYDIHOGHFQYML-HSALFYBXSA-N	1	0	354.450	1.660	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4c(c3)OCCCO4)[C@H]2C1	ZINC001083105020	912036041	/nfs/dbraw/zinc/03/60/41/912036041.db2.gz	DZSUSJZLPBXQOA-QFBILLFUSA-N	1	0	356.422	1.396	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CCO[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@@H]21	ZINC001083106199	912046589	/nfs/dbraw/zinc/04/65/89/912046589.db2.gz	PVODDMDISYUMHV-NZSAHSFTSA-N	1	0	359.470	1.768	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CNC(=O)c4ccccc43)[C@H]2C1	ZINC001083108046	912060759	/nfs/dbraw/zinc/06/07/59/912060759.db2.gz	RWFGEXZJBMAGFC-FGTMMUONSA-N	1	0	355.438	1.001	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CCCCC4=O)[C@@H]3C2)c1	ZINC001084480377	914907536	/nfs/dbraw/zinc/90/75/36/914907536.db2.gz	QOQWIBDYTUJUEM-RTBURBONSA-N	1	0	366.465	1.603	20	30		FDEDRO
CCn1cc(CC(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)nn1	ZINC001084537777	915248062	/nfs/dbraw/zinc/24/80/62/915248062.db2.gz	LABNRKNWRZSWLX-IEBWSBKVSA-N	1	0	364.453	1.445	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](C[C@H](O)CN3CCCC3=O)C[C@H]21	ZINC001084574097	915390951	/nfs/dbraw/zinc/39/09/51/915390951.db2.gz	QGXKVKACLMGZNT-IXDOHACOSA-N	1	0	363.502	1.105	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4[C@@H]5COC[C@@H]54)[C@@H]3C2)cc1	ZINC001084587731	915502974	/nfs/dbraw/zinc/50/29/74/915502974.db2.gz	LQWPEASZAFUALJ-PKOFMYQESA-N	1	0	367.449	1.514	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCCN3CCCC3=O)C[C@H]21	ZINC001084674671	916082887	/nfs/dbraw/zinc/08/28/87/916082887.db2.gz	QAGIIYLOOLCCSK-TVFCKZIOSA-N	1	0	361.486	1.123	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3CC[N@@H+](C[C@H]4CC(C)(C)CO4)C[C@H]32)nn1	ZINC001084708544	916391086	/nfs/dbraw/zinc/39/10/86/916391086.db2.gz	IQTBJEYJMKOWJX-BFYDXBDKSA-N	1	0	359.474	1.426	20	30		FDEDRO
Cc1c[nH]c(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(OCC#N)cc4)C[C@H]32)n1	ZINC001084712576	916443412	/nfs/dbraw/zinc/44/34/12/916443412.db2.gz	NOPIHPRYVVXSPG-SJLPKXTDSA-N	1	0	365.437	1.967	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCc3ccnn3C)C[C@H]21	ZINC001084715427	916499436	/nfs/dbraw/zinc/49/94/36/916499436.db2.gz	GCQWZTSJVSTJMZ-LULLPPNCSA-N	1	0	358.486	1.477	20	30		FDEDRO
C=C(Br)CN1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1	ZINC001084777641	917051159	/nfs/dbraw/zinc/05/11/59/917051159.db2.gz	ITIBGUDFEUCLEN-ZIAGYGMSSA-N	1	0	354.292	1.524	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)s1	ZINC001084777828	917053088	/nfs/dbraw/zinc/05/30/88/917053088.db2.gz	RCJNNBIWVSWKJF-RHSMWYFYSA-N	1	0	356.495	1.748	20	30		FDEDRO
C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCO1	ZINC001065210125	917210661	/nfs/dbraw/zinc/21/06/61/917210661.db2.gz	ASDZJIPKMOWLHH-IXDOHACOSA-N	1	0	351.491	1.417	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cn4ccccc4=O)[C@@H]3C2)cc1	ZINC001084822662	917429080	/nfs/dbraw/zinc/42/90/80/917429080.db2.gz	KMKVEBBIBLQOON-RTBURBONSA-N	1	0	362.433	1.453	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cc(C)n[nH]4)C[C@@H]32)C1=O	ZINC001084898071	918093022	/nfs/dbraw/zinc/09/30/22/918093022.db2.gz	HUABHEUVCLNWEJ-XIRDDKMYSA-N	1	0	357.458	1.041	20	30		FDEDRO
O=C([C@H]1CCC(=O)N1)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001084905163	918191289	/nfs/dbraw/zinc/19/12/89/918191289.db2.gz	YQGUISSXONPNMJ-QRVBRYPASA-N	1	0	351.450	1.240	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CCC(=O)N4)C[C@@H]32)c1	ZINC001084905126	918191386	/nfs/dbraw/zinc/19/13/86/918191386.db2.gz	WUYKASBRXQOWGM-KURKYZTESA-N	1	0	352.438	1.260	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)CCc3c(C)nc(=O)[nH]c3C)C[C@@H]21	ZINC001084957781	918843019	/nfs/dbraw/zinc/84/30/19/918843019.db2.gz	WSWOEQFPQGRNMS-AEFFLSMTSA-N	1	0	356.470	1.678	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21	ZINC000820352673	918843043	/nfs/dbraw/zinc/84/30/43/918843043.db2.gz	ATLDVOQNIBBEKB-MTQWCTHYSA-N	1	0	355.482	1.971	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1	ZINC000732280688	919303517	/nfs/dbraw/zinc/30/35/17/919303517.db2.gz	PNYVWZHGVHQTBC-INIZCTEOSA-N	1	0	353.466	1.421	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC2(O)CCN(C(=O)[C@@H]3C[C@H]3CCC)CC2)C1=O	ZINC000946927863	919304928	/nfs/dbraw/zinc/30/49/28/919304928.db2.gz	OLPFRQGCXAGLEB-BRWVUGGUSA-N	1	0	363.502	1.153	20	30		FDEDRO
CN1C[C@@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4ccccc4C#N)[C@H]3C2)NC1=O	ZINC001085006557	919575314	/nfs/dbraw/zinc/57/53/14/919575314.db2.gz	HDTBSBQJXHGRFA-JLSDUUJJSA-N	1	0	367.453	1.005	20	30		FDEDRO
CN1C[C@@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)[C@H]3C2)NC1=O	ZINC001085006770	919577257	/nfs/dbraw/zinc/57/72/57/919577257.db2.gz	XUVBQOCVZGEOFK-SQNIBIBYSA-N	1	0	367.453	1.005	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)cc1	ZINC000732412512	919582617	/nfs/dbraw/zinc/58/26/17/919582617.db2.gz	HPODWBHZJXBHGC-OALUTQOASA-N	1	0	371.481	1.969	20	30		FDEDRO
C[C@H](CNC(=O)NCCNC(=O)C1N=CC=CC1=O)[N@@H+]1CCCC[C@H]1C	ZINC000732450591	919592009	/nfs/dbraw/zinc/59/20/09/919592009.db2.gz	NZEZOEQILUAHRU-BKJYESAMSA-N	1	0	363.462	1.075	20	30		FDEDRO
CON=Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1	ZINC000732559823	919795020	/nfs/dbraw/zinc/79/50/20/919795020.db2.gz	RRUNNFUKTKQTGB-IBGZPJMESA-N	1	0	358.486	1.907	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4conc4CC)[C@H]3C2)nn1	ZINC001085051766	920097941	/nfs/dbraw/zinc/09/79/41/920097941.db2.gz	HJUYZAAPFPIVHV-KDOFPFPSSA-N	1	0	370.457	1.751	20	30		FDEDRO
O=C(C[C@@H]1CCC(=O)N1)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001085055802	920185520	/nfs/dbraw/zinc/18/55/20/920185520.db2.gz	ZYVBXEBFSRVHRE-AABGKKOBSA-N	1	0	365.477	1.630	20	30		FDEDRO
C#CCNC(=O)c1ccc(NCC[NH+]2CCN(c3ccccc3)CC2)nc1	ZINC000732911888	920298441	/nfs/dbraw/zinc/29/84/41/920298441.db2.gz	GENZOLGXGGKCHA-UHFFFAOYSA-N	1	0	363.465	1.679	20	30		FDEDRO
O=C(CCn1cnnn1)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001085062161	920301958	/nfs/dbraw/zinc/30/19/58/920301958.db2.gz	VJCFRLGVVDVBNR-MOPGFXCFSA-N	1	0	364.453	1.038	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N(C)C4CC4)[C@H]3C2)cn1	ZINC001085078471	920543135	/nfs/dbraw/zinc/54/31/35/920543135.db2.gz	UMPLUZRIGIIPOZ-BEFAXECRSA-N	1	0	366.465	1.220	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(CNC(C)=O)c3)C[C@@H]21	ZINC001085097026	920830828	/nfs/dbraw/zinc/83/08/28/920830828.db2.gz	HPKHHDPQIOYEFE-QUCCMNQESA-N	1	0	353.466	1.882	20	30		FDEDRO
O=C(NCC[NH2+]Cc1ccccc1N1CCOCC1)C1N=CC=CC1=O	ZINC000733333258	920989403	/nfs/dbraw/zinc/98/94/03/920989403.db2.gz	KIHFXRRKKYMYAV-VHEBQXMUSA-N	1	0	356.426	1.139	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnccc2C)C1=O	ZINC001085158564	921867338	/nfs/dbraw/zinc/86/73/38/921867338.db2.gz	JQNUHWNWGSZADV-KURKYZTESA-N	1	0	356.470	1.808	20	30		FDEDRO
CC(C)N1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C#N)c[nH]2)C1=O	ZINC001085162255	921905089	/nfs/dbraw/zinc/90/50/89/921905089.db2.gz	JCKMAJBFNLNXAA-BZUAXINKSA-N	1	0	357.458	1.526	20	30		FDEDRO
CC(C)N1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)C1=O	ZINC001085172304	921983828	/nfs/dbraw/zinc/98/38/28/921983828.db2.gz	UXTYHXZCZCWNBP-BFYDXBDKSA-N	1	0	357.458	1.526	20	30		FDEDRO
CC(C)c1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(C#N)c2)[nH]1	ZINC001085174736	921993881	/nfs/dbraw/zinc/99/38/81/921993881.db2.gz	RETNOYJMZYQCCU-HUUCEWRRSA-N	1	0	355.446	1.959	20	30		FDEDRO
Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(C#N)ccc2F)nn1	ZINC001085190338	922156020	/nfs/dbraw/zinc/15/60/20/922156020.db2.gz	VOJSXFRSNDKSQA-HZPDHXFCSA-N	1	0	356.405	1.657	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C)nnc2C)C1=O	ZINC001085211513	922789733	/nfs/dbraw/zinc/78/97/33/922789733.db2.gz	GJAODWPSOCJTEO-KURKYZTESA-N	1	0	371.485	1.511	20	30		FDEDRO
CCN1CCOC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001085251150	923199424	/nfs/dbraw/zinc/19/94/24/923199424.db2.gz	DDFTXEVKWALRTF-VAMGGRTRSA-N	1	0	370.497	1.796	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCC(=O)NC2)s1	ZINC001085253719	923218596	/nfs/dbraw/zinc/21/85/96/923218596.db2.gz	CHPLYQOAOGCUGW-APHBMKBZSA-N	1	0	360.483	1.663	20	30		FDEDRO
N#CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCNC2=O)cc1	ZINC001085295889	923654223	/nfs/dbraw/zinc/65/42/23/923654223.db2.gz	DSBLUSSVWYLNPT-RCCFBDPRSA-N	1	0	370.453	1.242	20	30		FDEDRO
Cn1nnc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(F)c(C#N)c2)n1	ZINC001085300413	923662300	/nfs/dbraw/zinc/66/23/00/923662300.db2.gz	RNJXPPPSQZCPSN-HUUCEWRRSA-N	1	0	357.393	1.052	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCOCC2)CC1	ZINC001085321391	923854506	/nfs/dbraw/zinc/85/45/06/923854506.db2.gz	VASZEUBABSTTBX-QZTJIDSGSA-N	1	0	363.502	1.609	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[C@H]2C(N)=O)cc1C#N	ZINC001085335050	923973617	/nfs/dbraw/zinc/97/36/17/923973617.db2.gz	YFWWDFGXNMOLFL-YYIAUSFCSA-N	1	0	370.453	1.205	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc3n(n2)CCC3)nn1	ZINC001085357056	924184083	/nfs/dbraw/zinc/18/40/83/924184083.db2.gz	BJZZEXZFUUBQCK-IAGOWNOFSA-N	1	0	369.473	1.438	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H](C)c2cnccn2)nn1	ZINC001085357219	924185709	/nfs/dbraw/zinc/18/57/09/924185709.db2.gz	JGMJZYAVZPWAIG-RRFJBIMHSA-N	1	0	355.446	1.646	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnc(OC)n1	ZINC001085360669	924221377	/nfs/dbraw/zinc/22/13/77/924221377.db2.gz	UMRJKEYYNQKMAV-MLHJIOFPSA-N	1	0	374.485	1.983	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)C2(C)CCOCC2)C1=O	ZINC001085364456	924246603	/nfs/dbraw/zinc/24/66/03/924246603.db2.gz	DPKGEULUUGLBKE-BRWVUGGUSA-N	1	0	363.502	1.607	20	30		FDEDRO
Cn1ncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(F)ccc2C#N)n1	ZINC001085362661	924257108	/nfs/dbraw/zinc/25/71/08/924257108.db2.gz	PAFVGQTYIBCXAI-HZPDHXFCSA-N	1	0	356.405	1.657	20	30		FDEDRO
C[N@H+](CCNC(=O)C(=O)Nc1cccc(OCC#N)c1)C1CCCCC1	ZINC000735590542	924454165	/nfs/dbraw/zinc/45/41/65/924454165.db2.gz	HONKXGAALQEKTK-UHFFFAOYSA-N	1	0	358.442	1.908	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]3CN(c4ccc(C#N)nc4)C[C@H]32)CC[N@@H+]1C	ZINC001066253292	924542954	/nfs/dbraw/zinc/54/29/54/924542954.db2.gz	RRBBPGIJLCHDOZ-WTLGNFPFSA-N	1	0	353.470	1.721	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cn2cncn2)c(F)c1	ZINC001085415193	924546721	/nfs/dbraw/zinc/54/67/21/924546721.db2.gz	IGQVJLCJDYBVKC-IAGOWNOFSA-N	1	0	356.405	1.506	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCCN2C(N)=O)c1	ZINC001085440292	924742345	/nfs/dbraw/zinc/74/23/45/924742345.db2.gz	NJFPAAUFPNLVES-KURKYZTESA-N	1	0	369.469	1.618	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	ZINC001085737468	925120980	/nfs/dbraw/zinc/12/09/80/925120980.db2.gz	OHNWMLUZPHSXQB-QRVBRYPASA-N	1	0	365.518	1.365	20	30		FDEDRO
C[NH+](C)C[C@H]1CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1	ZINC000738226623	925139936	/nfs/dbraw/zinc/13/99/36/925139936.db2.gz	YEZDSMFXPRQWKY-DNVCBOLYSA-N	1	0	355.442	1.166	20	30		FDEDRO
C=CCCCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1	ZINC001108216491	925349651	/nfs/dbraw/zinc/34/96/51/925349651.db2.gz	DCXXQIJFWBLRID-QKLQHJQFSA-N	1	0	365.518	1.664	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccc(=O)n(-c3ccccc3)n2)CC1	ZINC000740737456	925420714	/nfs/dbraw/zinc/42/07/14/925420714.db2.gz	NQOGPAOZQNZSIJ-UHFFFAOYSA-N	1	0	350.422	1.450	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2nc(N3CCCC3)ncc2Cl)CC1	ZINC000740738231	925422231	/nfs/dbraw/zinc/42/22/31/925422231.db2.gz	ZXVZQVDTNJHBCM-UHFFFAOYSA-N	1	0	361.877	1.948	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)C1	ZINC001086089379	925945021	/nfs/dbraw/zinc/94/50/21/925945021.db2.gz	XACCZPXLQSJNOQ-ILOCAZANSA-N	1	0	363.502	1.461	20	30		FDEDRO
C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CC[C@H]([NH+]3CC=CC3)C2)C1=O	ZINC000742163842	925945214	/nfs/dbraw/zinc/94/52/14/925945214.db2.gz	WROZCPQRUNBEJJ-FXAWDEMLSA-N	1	0	365.437	1.229	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C3)cn1	ZINC001006285585	926079373	/nfs/dbraw/zinc/07/93/73/926079373.db2.gz	IYVQAPBFBPMHOX-AXUOBQJMSA-N	1	0	366.465	1.409	20	30		FDEDRO
C=C(Br)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccnn2C)C1	ZINC001086156141	926166415	/nfs/dbraw/zinc/16/64/15/926166415.db2.gz	QLRNEWLWZUKKIH-XJFOESAGSA-N	1	0	367.291	1.917	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2csc(COC)n2)C1	ZINC001086201437	926283899	/nfs/dbraw/zinc/28/38/99/926283899.db2.gz	AWGMITKBNWVCJK-CLWVCHIJSA-N	1	0	365.499	1.865	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(C(=O)NC)c2)C1	ZINC001086202824	926289793	/nfs/dbraw/zinc/28/97/93/926289793.db2.gz	SAIKOADDHAXHAP-LULLPPNCSA-N	1	0	371.481	1.622	20	30		FDEDRO
C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CCC[C@H](C)[C@H]2CCC)c1=O	ZINC000743380149	926352493	/nfs/dbraw/zinc/35/24/93/926352493.db2.gz	FYUHSNIIGFSCBA-JKSUJKDBSA-N	1	0	362.474	1.402	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(C#N)c1	ZINC001006290937	926354839	/nfs/dbraw/zinc/35/48/39/926354839.db2.gz	ZRWXKANCVSEPDB-DXEWXGHRSA-N	1	0	355.442	1.232	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](CNc3ccncc3C#N)CC2)CC[N@@H+]1C	ZINC001066450717	926358841	/nfs/dbraw/zinc/35/88/41/926358841.db2.gz	ABDWMEZKTNZKLT-JOCBIADPSA-N	1	0	355.486	1.802	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](CNc3nccnc3C#N)CC2)CC[N@@H+]1C	ZINC001066451256	926359432	/nfs/dbraw/zinc/35/94/32/926359432.db2.gz	YRDGARMGOIBHGG-KLHDSHLOSA-N	1	0	356.474	1.775	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CCNC(=O)c2ccc(C)cc2O)CC1	ZINC000743491334	926378332	/nfs/dbraw/zinc/37/83/32/926378332.db2.gz	FPHCZRLNCCLNRC-UHFFFAOYSA-N	1	0	357.454	1.424	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CCC[NH+](C)C)CC1	ZINC001066458333	926421070	/nfs/dbraw/zinc/42/10/70/926421070.db2.gz	DPOPEZYNSSBPKM-ZACQAIPSSA-N	1	0	351.491	1.417	20	30		FDEDRO
O=S(=O)(c1ccccc1N=NC1C[NH+]2CCC1CC2)N1CCOCC1	ZINC000745201381	927111351	/nfs/dbraw/zinc/11/13/51/927111351.db2.gz	UOSBKXQRCQQMMP-UHFFFAOYSA-N	1	0	364.471	1.201	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)c1	ZINC001086479337	927507079	/nfs/dbraw/zinc/50/70/79/927507079.db2.gz	BAUYTGMDTQEFMM-ZJPYXAASSA-N	1	0	354.454	1.444	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ncc(Cl)n2C)C1	ZINC001086480974	927516872	/nfs/dbraw/zinc/51/68/72/927516872.db2.gz	ICGSMBIKVLDRFD-SYQHCUMBSA-N	1	0	352.866	1.649	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)C1	ZINC001086483113	927538074	/nfs/dbraw/zinc/53/80/74/927538074.db2.gz	MJSFPWDSGLERCI-PYJZQUQOSA-N	1	0	362.445	1.935	20	30		FDEDRO
CC[C@@H](C#N)Oc1cc(CNC(=O)CN2CC[NH+](CC)CC2)ccc1OC	ZINC000746262347	927699984	/nfs/dbraw/zinc/69/99/84/927699984.db2.gz	YMBCZBWEVCMWIB-KRWDZBQOSA-N	1	0	374.485	1.630	20	30		FDEDRO
N#CCn1cc(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cn1	ZINC000746344687	927885937	/nfs/dbraw/zinc/88/59/37/927885937.db2.gz	QJAGZXUAXPRYQQ-AWEZNQCLSA-N	1	0	372.454	1.360	20	30		FDEDRO
N#CCn1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1	ZINC000746404808	927949784	/nfs/dbraw/zinc/94/97/84/927949784.db2.gz	FOFNYYADZUAJJI-KRWDZBQOSA-N	1	0	366.425	1.126	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@]2(C)CCOC2)[C@@H](n2ccnn2)C1	ZINC001129342653	928871468	/nfs/dbraw/zinc/87/14/68/928871468.db2.gz	TZPSWLFGJIRAIN-ZIFCJYIRSA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CC[C@H](Nc1ccc(S(=O)(=O)C2CC[NH2+]CC2)cc1)C(=O)OC	ZINC001169840553	928925738	/nfs/dbraw/zinc/92/57/38/928925738.db2.gz	BOJOGRKUFQZETC-INIZCTEOSA-N	1	0	352.456	1.742	20	30		FDEDRO
COC(=O)n1ncc(C#N)c1Nc1ccc(C(=O)N2CCC([NH3+])CC2)cc1	ZINC001169968971	928970111	/nfs/dbraw/zinc/97/01/11/928970111.db2.gz	QYRVCMVFRBMBGX-UHFFFAOYSA-N	1	0	368.397	1.676	20	30		FDEDRO
COC(=O)n1ncc(C#N)c1Nc1ncc(OCC2CC[NH+](C)CC2)cn1	ZINC001169964468	928981321	/nfs/dbraw/zinc/98/13/21/928981321.db2.gz	BXOAYPWNJLHCDN-UHFFFAOYSA-N	1	0	371.401	1.623	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)CCN2CC[NH+](Cc3ccccc3)CC2)nc1	ZINC000804343855	928993923	/nfs/dbraw/zinc/99/39/23/928993923.db2.gz	GJNXHBJXFVEIFR-UHFFFAOYSA-N	1	0	362.477	1.953	20	30		FDEDRO
C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1	ZINC001108718269	929119845	/nfs/dbraw/zinc/11/98/45/929119845.db2.gz	QBGHMKCWROLFNR-QGTPRVQTSA-N	1	0	364.453	1.610	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc(C(C)C)nn2C)[C@@H](n2ccnn2)C1	ZINC001129359652	929155216	/nfs/dbraw/zinc/15/52/16/929155216.db2.gz	LBASTLABZPZRJF-AEFFLSMTSA-N	1	0	371.489	1.757	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129369996	929338785	/nfs/dbraw/zinc/33/87/85/929338785.db2.gz	MESNJYDWAMHERU-MOPGFXCFSA-N	1	0	365.481	1.912	20	30		FDEDRO
N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC[C@@H]1CCCO1	ZINC001108951906	929567113	/nfs/dbraw/zinc/56/71/13/929567113.db2.gz	KJKUVLWQJDVWNJ-UGUYLWEFSA-N	1	0	353.488	1.160	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)nn(C)c1Cl)C2	ZINC001109577084	929798050	/nfs/dbraw/zinc/79/80/50/929798050.db2.gz	PWAMOWDZGBCJQX-RDBSUJKOSA-N	1	0	352.866	1.920	20	30		FDEDRO
C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1cccc(F)c1C#N	ZINC000770292091	929956534	/nfs/dbraw/zinc/95/65/34/929956534.db2.gz	IXNUEZDHNVVKNZ-ZDUSSCGKSA-N	1	0	354.451	1.002	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2	ZINC001109673831	930115617	/nfs/dbraw/zinc/11/56/17/930115617.db2.gz	RYDONMVQMSOFCC-IKGGRYGDSA-N	1	0	350.507	1.084	20	30		FDEDRO
C=CCOCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1OCC[C@H]1C)C[C@@H](C)O2	ZINC001111550831	930188022	/nfs/dbraw/zinc/18/80/22/930188022.db2.gz	LNHFFOJKHJCTCP-KURKYZTESA-N	1	0	366.502	1.696	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)OC2(CC[NH+](CCOCC)CC2)C1	ZINC001111551382	930406270	/nfs/dbraw/zinc/40/62/70/930406270.db2.gz	ZEWXVYJSDQWJSE-KURKYZTESA-N	1	0	366.502	1.696	20	30		FDEDRO
CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1	ZINC001109852023	930595289	/nfs/dbraw/zinc/59/52/89/930595289.db2.gz	GOMBFMWKLLIYMU-SQNIBIBYSA-N	1	0	354.454	1.694	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc(NC(C)=O)c1)C2	ZINC001109865550	930637812	/nfs/dbraw/zinc/63/78/12/930637812.db2.gz	UOIWTEYZSSPNIY-IKGGRYGDSA-N	1	0	358.442	1.578	20	30		FDEDRO
CC(=NN[C@@H](C)CC#N)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1	ZINC000771883867	930947332	/nfs/dbraw/zinc/94/73/32/930947332.db2.gz	DMTUFSQPQHLSDR-AWEZNQCLSA-N	1	0	365.503	1.532	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)c1ccccc1)C2	ZINC001110024565	931131478	/nfs/dbraw/zinc/13/14/78/931131478.db2.gz	PEVZHPLPOMKBHL-SQNIBIBYSA-N	1	0	357.454	1.341	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cnn(CC(=O)NC3CCCC3)c2)CC1	ZINC000772469363	931303557	/nfs/dbraw/zinc/30/35/57/931303557.db2.gz	IJIRSNLTOFFDQJ-UHFFFAOYSA-N	1	0	371.485	1.159	20	30		FDEDRO
N#C[C@H]1CN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CCN1C1CC1	ZINC000772621046	931383682	/nfs/dbraw/zinc/38/36/82/931383682.db2.gz	YADQMMTXCKPIKO-IBGZPJMESA-N	1	0	368.485	1.680	20	30		FDEDRO
C[C@H](CO)[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C[C@H](C)O	ZINC000785537234	931443502	/nfs/dbraw/zinc/44/35/02/931443502.db2.gz	PGLALVSIHHGQBZ-VNHYZAJKSA-N	1	0	354.410	1.287	20	30		FDEDRO
O=C(c1nc[nH]n1)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#Cc2ccc(F)cc2)C1	ZINC001112548861	931474343	/nfs/dbraw/zinc/47/43/43/931474343.db2.gz	WBYCGAQVENSMLZ-JXFKEZNVSA-N	1	0	367.428	1.827	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C(=O)N(C)C(C)C)CC1)C2	ZINC001112553705	931535823	/nfs/dbraw/zinc/53/58/23/931535823.db2.gz	FAKBNFQFHPYJDO-PXNSSMCTSA-N	1	0	359.514	1.875	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CCC(=O)c2ccc3c(c2)OCCO3)CC1	ZINC000785675400	931539367	/nfs/dbraw/zinc/53/93/67/931539367.db2.gz	OZCCFGZCRUSTAH-UHFFFAOYSA-N	1	0	356.422	1.492	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnn3c1CCCC3)C2	ZINC001112557417	931545648	/nfs/dbraw/zinc/54/56/48/931545648.db2.gz	FMRKCNCCQOHUKG-UWJYYQICSA-N	1	0	370.497	1.701	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC13CCCC3)C2	ZINC001112557994	931550142	/nfs/dbraw/zinc/55/01/42/931550142.db2.gz	JJDWQHMQLQRUOX-FTRWYGJKSA-N	1	0	358.486	1.425	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)CCOC)C2	ZINC001112555793	931560014	/nfs/dbraw/zinc/56/00/14/931560014.db2.gz	LDZXDSHEGVHREX-PXNSSMCTSA-N	1	0	350.503	1.917	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)OC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1	ZINC000785711798	931581341	/nfs/dbraw/zinc/58/13/41/931581341.db2.gz	PSRGXTUMRNMGLV-OAHLLOKOSA-N	1	0	360.454	1.738	20	30		FDEDRO
CC[C@@H](CC(C)C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1	ZINC001112558961	931583127	/nfs/dbraw/zinc/58/31/27/931583127.db2.gz	FJCVWEHNOKWUQH-ZWOKBUDYSA-N	1	0	362.518	1.917	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCc3n[nH]cc3C1)C2	ZINC001112562928	931596594	/nfs/dbraw/zinc/59/65/94/931596594.db2.gz	WKLALNHOIOWVTQ-MDKPJZGXSA-N	1	0	370.497	1.383	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc3c(c1)C(=O)NC3=O)C2	ZINC001112565021	931610673	/nfs/dbraw/zinc/61/06/73/931610673.db2.gz	GIKHELBWBNCDAR-BTYIYWSLSA-N	1	0	367.449	1.978	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@H](C)C(=O)NC)C2)nc1	ZINC001112565883	931615199	/nfs/dbraw/zinc/61/51/99/931615199.db2.gz	XLEXWQGKAPFTKG-IIMJZQEZSA-N	1	0	354.454	1.029	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COc1ccccc1)C2	ZINC001112568793	931632622	/nfs/dbraw/zinc/63/26/22/931632622.db2.gz	MQSZOXSKOPTPOF-RXVVDRJESA-N	1	0	356.466	1.934	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)C(C)(F)F)C2	ZINC001112570309	931650869	/nfs/dbraw/zinc/65/08/69/931650869.db2.gz	QAHBUKKAZLFNSC-LIRRHRJNSA-N	1	0	369.456	1.636	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@]1(C)CCS(=O)(=O)N1)C2	ZINC001112569675	931662661	/nfs/dbraw/zinc/66/26/61/931662661.db2.gz	KJEFVOHTOMOAAF-SZMVWBNQSA-N	1	0	369.531	1.253	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cncnc1CC)C2	ZINC001112580108	931719134	/nfs/dbraw/zinc/71/91/34/931719134.db2.gz	XZIYIDHABVTMTF-YWZLYKJASA-N	1	0	371.485	1.173	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C1CC1)N1CCOCC1)C2	ZINC001112582797	931750885	/nfs/dbraw/zinc/75/08/85/931750885.db2.gz	OSNYQNZJQMLXNU-ZVDOUQERSA-N	1	0	359.514	1.339	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CS(=O)(=O)NC)C2	ZINC001112581092	931763479	/nfs/dbraw/zinc/76/34/79/931763479.db2.gz	VPEPTPKEEGDWNI-ZOBUZTSGSA-N	1	0	357.520	1.109	20	30		FDEDRO
COCC[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@H]1CCOC1	ZINC000786193304	931797619	/nfs/dbraw/zinc/79/76/19/931797619.db2.gz	ZHDXSGIFFWXGOR-HOTGVXAUSA-N	1	0	366.421	1.961	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cnn(CC)n2)C1	ZINC001112589388	931802781	/nfs/dbraw/zinc/80/27/81/931802781.db2.gz	XUIPANHVZRDQOH-GJYPPUQNSA-N	1	0	361.490	1.607	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn(C)c(=O)n1C)C2	ZINC001112587446	931809512	/nfs/dbraw/zinc/80/95/12/931809512.db2.gz	XYUZKQKWBGPVMV-GUXCAODWSA-N	1	0	360.502	1.910	20	30		FDEDRO
C[NH+]1CCC(n2ccc(NC(=O)NCCNc3ccc(C#N)cn3)n2)CC1	ZINC000786689752	931993232	/nfs/dbraw/zinc/99/32/32/931993232.db2.gz	QTJMVOLFDFHUQE-UHFFFAOYSA-N	1	0	368.445	1.650	20	30		FDEDRO
C[C@H](OC(=O)CC[N@@H+]1CCc2ccccc2C1)C(=O)NC1(C#N)CCC1	ZINC000786821727	932053828	/nfs/dbraw/zinc/05/38/28/932053828.db2.gz	PCQFAQIXKBEVGM-HNNXBMFYSA-N	1	0	355.438	1.929	20	30		FDEDRO
N#CCc1nccnc1N(CC[NH3+])S(=O)(=O)c1cccc2cnccc21	ZINC001170065937	932107711	/nfs/dbraw/zinc/10/77/11/932107711.db2.gz	GEUWAHXCYYWWMT-UHFFFAOYSA-N	1	0	368.422	1.245	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCNc1ccc(C#N)cn1	ZINC000786942442	932112463	/nfs/dbraw/zinc/11/24/63/932112463.db2.gz	WDYDUEDWOCTAAP-OAHLLOKOSA-N	1	0	372.473	1.260	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NCC[N@@H+](CC)CCC)ccc1F	ZINC000746638173	932176986	/nfs/dbraw/zinc/17/69/86/932176986.db2.gz	AWADARRFDRBXSX-UHFFFAOYSA-N	1	0	371.478	1.752	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCCO1	ZINC000787289401	932245284	/nfs/dbraw/zinc/24/52/84/932245284.db2.gz	HDMXJLAUEKVSJL-MOPGFXCFSA-N	1	0	369.465	1.196	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C	ZINC000787636439	932352452	/nfs/dbraw/zinc/35/24/52/932352452.db2.gz	HVTGZVPZGBOREW-ZDUSSCGKSA-N	1	0	372.238	1.569	20	30		FDEDRO
C=CCNC(=O)NC(=O)COC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1	ZINC000772710814	932516986	/nfs/dbraw/zinc/51/69/86/932516986.db2.gz	KWLVPHCCEJJKGV-UHFFFAOYSA-N	1	0	373.453	1.844	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1-n1cnnn1)C2	ZINC001110084722	932529824	/nfs/dbraw/zinc/52/98/24/932529824.db2.gz	MOFNTSVNKFNLFH-HFTRVMKXSA-N	1	0	352.442	1.964	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1	ZINC000788052499	932532659	/nfs/dbraw/zinc/53/26/59/932532659.db2.gz	QSMRLUUHGFEAEJ-CYBMUJFWSA-N	1	0	370.413	1.313	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c(C)csc1=O)C2	ZINC001110086257	932655042	/nfs/dbraw/zinc/65/50/42/932655042.db2.gz	RYQCISCDMIRFDN-ILXRZTDVSA-N	1	0	351.472	1.142	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)cc1C#N	ZINC000788483105	932711670	/nfs/dbraw/zinc/71/16/70/932711670.db2.gz	ILRBXBUEHONNPX-UHFFFAOYSA-N	1	0	370.453	1.174	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NCC2([NH+](C)C)CCCC2)n1	ZINC000788848198	932837600	/nfs/dbraw/zinc/83/76/00/932837600.db2.gz	DQANIVXGBQFINP-UHFFFAOYSA-N	1	0	361.490	1.549	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CCCC[N@H+]2CC)n1	ZINC000788998017	932906594	/nfs/dbraw/zinc/90/65/94/932906594.db2.gz	TXGJVCCMQKRXMN-SFHVURJKSA-N	1	0	361.490	1.549	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)n1	ZINC000789029644	932919149	/nfs/dbraw/zinc/91/91/49/932919149.db2.gz	AYQACULLRVKPOZ-QGZVFWFLSA-N	1	0	359.474	1.159	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)n1	ZINC000789063850	932923779	/nfs/dbraw/zinc/92/37/79/932923779.db2.gz	KMBXWMSGNMQGLZ-WMZOPIPTSA-N	1	0	361.490	1.547	20	30		FDEDRO
C#CCNC(=S)C(C(=O)c1cnn(C)n1)[n+]1ccc2c(c1)CCCC2	ZINC000789402127	933029871	/nfs/dbraw/zinc/02/98/71/933029871.db2.gz	HQIWBOBPWLMKLK-UHFFFAOYSA-O	1	0	354.459	1.415	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2nnn(C(C)(C)C)n2)C1	ZINC001086588775	933624309	/nfs/dbraw/zinc/62/43/09/933624309.db2.gz	NNNJQCPLBZLKON-DLBZAZTESA-N	1	0	366.469	1.649	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc3n(n2)CCO3)C1	ZINC001086592613	933815728	/nfs/dbraw/zinc/81/57/28/933815728.db2.gz	XLRIUDZPMDVUKU-FUHWJXTLSA-N	1	0	350.422	1.497	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(C(N)=O)cn2C)C1	ZINC001086597549	933970903	/nfs/dbraw/zinc/97/09/03/933970903.db2.gz	LOHPGRJSROAWDB-ZWKOTPCHSA-N	1	0	364.449	1.345	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc3nnnn3c2)C1	ZINC001086599283	934027225	/nfs/dbraw/zinc/02/72/25/934027225.db2.gz	GQFIZLSBBMPMQF-ZWKOTPCHSA-N	1	0	360.421	1.345	20	30		FDEDRO
COc1ccc(OC)c(C2=NO[C@H](C(=O)NC3(C#N)CC[NH+](C)CC3)C2)c1	ZINC000791672138	934098821	/nfs/dbraw/zinc/09/88/21/934098821.db2.gz	PNABPNFLKOXFMD-KRWDZBQOSA-N	1	0	372.425	1.301	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1	ZINC001086618292	938341196	/nfs/dbraw/zinc/34/11/96/938341196.db2.gz	CAOADTUOVWEAGG-JKSUJKDBSA-N	1	0	370.453	1.087	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCCN2C(N)=O)C1	ZINC001086619178	938354199	/nfs/dbraw/zinc/35/41/99/938354199.db2.gz	CKXRSXCEKXGFNZ-IPMKNSEASA-N	1	0	368.481	1.527	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCN(C(C)=O)C2)C1	ZINC001086621828	938381806	/nfs/dbraw/zinc/38/18/06/938381806.db2.gz	QGTDPLJMFKOVQK-SLFFLAALSA-N	1	0	353.466	1.462	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(C(=O)Cc2cccc(OCC#N)c2)CC1	ZINC000794339820	938389199	/nfs/dbraw/zinc/38/91/99/938389199.db2.gz	ROHKBIUUROWOGH-UHFFFAOYSA-N	1	0	366.421	1.884	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC(=O)N2C)C1	ZINC001086622401	938399993	/nfs/dbraw/zinc/39/99/93/938399993.db2.gz	VNMKRCHQGDEJNJ-IPMKNSEASA-N	1	0	353.466	1.605	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Oc2ccccn2)[C@@H](n2ccnn2)C1	ZINC001129393938	938401557	/nfs/dbraw/zinc/40/15/57/938401557.db2.gz	YKZBKQRMTYKISN-OAGGEKHMSA-N	1	0	356.430	1.058	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H](OC)C2CCCC2)[C@@H](n2ccnn2)C1	ZINC001129411976	938407156	/nfs/dbraw/zinc/40/71/56/938407156.db2.gz	HIQIEYNGMWFTRX-FGTMMUONSA-N	1	0	361.490	1.791	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CC(C)(C)C(F)(F)F)[C@@H](n2ccnn2)C1	ZINC001129412287	938407657	/nfs/dbraw/zinc/40/76/57/938407657.db2.gz	OZPJNNKUFJSTNU-OLZOCXBDSA-N	1	0	357.380	1.622	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129440947	938426664	/nfs/dbraw/zinc/42/66/64/938426664.db2.gz	HPLDDHARMYLVJL-UHOSZYNNSA-N	1	0	351.454	1.522	20	30		FDEDRO
C#CCNc1nc(NC[C@@]2(C)CCOC2)[nH+]c(NC[C@@]2(C)CCOC2)n1	ZINC000804452484	938437321	/nfs/dbraw/zinc/43/73/21/938437321.db2.gz	GZHWZNZAPDJQCU-QZTJIDSGSA-N	1	0	360.462	1.594	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2nonc2C)[C@@H](n2ccnn2)C1	ZINC001129484750	938439897	/nfs/dbraw/zinc/43/98/97/938439897.db2.gz	FTRVJLYMXNDQKL-CABCVRRESA-N	1	0	359.434	1.371	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)Cc2cccs2)C[C@@H]1n1ccnn1	ZINC001129526007	938444721	/nfs/dbraw/zinc/44/47/21/938444721.db2.gz	VYVGFUPAXNHRMT-CVEARBPZSA-N	1	0	361.471	1.126	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2C)C[C@@H]1n1ccnn1	ZINC001129598184	938461633	/nfs/dbraw/zinc/46/16/33/938461633.db2.gz	DIINIVHQJQAGFN-XKQJLSEDSA-N	1	0	357.462	1.330	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]CC#Cc2ccc(F)cc2)[C@@H](n2ccnn2)C1	ZINC001129666713	938478312	/nfs/dbraw/zinc/47/83/12/938478312.db2.gz	FVLJHUFUKKTCBV-MOPGFXCFSA-N	1	0	367.428	1.777	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]([NH2+][C@@H](C)c2cccc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129681315	938483973	/nfs/dbraw/zinc/48/39/73/938483973.db2.gz	OPCFUZXNXDWJBJ-UHOSZYNNSA-N	1	0	369.469	1.892	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cc(C)on2)C[C@@H]1n1ccnn1	ZINC001129695900	938487038	/nfs/dbraw/zinc/48/70/38/938487038.db2.gz	IOLWPPPTSPPWMZ-XYPHTWIQSA-N	1	0	358.446	1.513	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CC2=CCCCC2)C[C@@H]1n1ccnn1	ZINC001129677851	938491035	/nfs/dbraw/zinc/49/10/35/938491035.db2.gz	OWGPQDKPSWPPKE-MSOLQXFVSA-N	1	0	359.474	1.713	20	30		FDEDRO
O=C(CC1CCC1)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129717206	938493238	/nfs/dbraw/zinc/49/32/38/938493238.db2.gz	IKDSMMDMNACWNF-UXHICEINSA-N	1	0	363.465	1.862	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C[C@@H]1n1ccnn1	ZINC001129724028	938494481	/nfs/dbraw/zinc/49/44/81/938494481.db2.gz	QDZYNFURLHNUDM-WKULXVSPSA-N	1	0	359.474	1.258	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1	ZINC001129733481	938496634	/nfs/dbraw/zinc/49/66/34/938496634.db2.gz	VZUVDDVJUYSXOZ-MSOLQXFVSA-N	1	0	370.457	1.198	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2ncccc2O)C[C@@H]1n1ccnn1	ZINC001129761891	938502988	/nfs/dbraw/zinc/50/29/88/938502988.db2.gz	BOSCADWTZGPPHQ-CVEARBPZSA-N	1	0	370.457	1.780	20	30		FDEDRO
CC(C)=C(F)C(=O)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129741911	938504812	/nfs/dbraw/zinc/50/48/12/938504812.db2.gz	KPOBFGVUGVZQOL-MSOLQXFVSA-N	1	0	367.428	1.935	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)CC(=O)NCC)C[C@@H]1n1ccnn1	ZINC001129798147	938510781	/nfs/dbraw/zinc/51/07/81/938510781.db2.gz	OWHILFASNXGQSD-CVEARBPZSA-N	1	0	364.494	1.116	20	30		FDEDRO
CC(C)CCOCC[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1n1ccnn1	ZINC001129822172	938521843	/nfs/dbraw/zinc/52/18/43/938521843.db2.gz	INCBMMBVTIUGJU-MSOLQXFVSA-N	1	0	359.474	1.096	20	30		FDEDRO
CO[C@H](C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1n1ccnn1)C1CCC1	ZINC001129822112	938521870	/nfs/dbraw/zinc/52/18/70/938521870.db2.gz	FWZDBZJMMJUCDY-FGTMMUONSA-N	1	0	359.474	1.094	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccc(C)nn2)C[C@@H]1n1ccnn1	ZINC001129822090	938521920	/nfs/dbraw/zinc/52/19/20/938521920.db2.gz	FEOXCVPWNFTPIP-XYPHTWIQSA-N	1	0	355.446	1.387	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCO[C@H]2C(C)C)C[C@@H]1n1ccnn1	ZINC001129855451	938528348	/nfs/dbraw/zinc/52/83/48/938528348.db2.gz	LNIYETFTGZOROH-MHORFTMASA-N	1	0	359.474	1.094	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H]([NH2+]Cc2cncc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129883967	938538558	/nfs/dbraw/zinc/53/85/58/938538558.db2.gz	BXEHSBVZNGSLOW-MSOLQXFVSA-N	1	0	354.458	1.880	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(c3ccc(F)cc3)CC2)C[C@@H]1n1ccnn1	ZINC001129887540	938540111	/nfs/dbraw/zinc/54/01/11/938540111.db2.gz	DQFRQXHVWJHIKY-MSOLQXFVSA-N	1	0	367.428	1.514	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cn2ccc(C(F)F)n2)C[C@@H]1n1ccnn1	ZINC001129890215	938541138	/nfs/dbraw/zinc/54/11/38/938541138.db2.gz	BTKKUQLBPNKDLQ-KGLIPLIRSA-N	1	0	365.388	1.030	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2[nH]ncc2C(F)(F)F)C[C@@H]1n1ccnn1	ZINC001129890750	938541625	/nfs/dbraw/zinc/54/16/25/938541625.db2.gz	ZSZFRMSCUUSBDN-NEPJUHHUSA-N	1	0	369.351	1.251	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(C)nnc2C)C[C@@H]1n1ccnn1	ZINC001129871992	938545145	/nfs/dbraw/zinc/54/51/45/938545145.db2.gz	QITFSVOOFZQFAX-SJORKVTESA-N	1	0	355.446	1.306	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H]([NH2+]Cc2cncn2C)[C@@H](n2ccnn2)C1	ZINC001129874972	938546213	/nfs/dbraw/zinc/54/62/13/938546213.db2.gz	VXDHENHIZTYTPO-CVEARBPZSA-N	1	0	357.462	1.156	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccnn2[C@@H](C)CC)C[C@@H]1n1ccnn1	ZINC001129876367	938546774	/nfs/dbraw/zinc/54/67/74/938546774.db2.gz	NRSMCGOQBZGXLG-UXLLHSPISA-N	1	0	357.462	1.677	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2nc(C)sc2C)C[C@@H]1n1ccnn1	ZINC001129905169	938548178	/nfs/dbraw/zinc/54/81/78/938548178.db2.gz	SBSPHVMEBPTTED-CABCVRRESA-N	1	0	360.487	1.973	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)CC[C@@H](C)C3)C[C@@H]1n1ccnn1	ZINC001129910453	938550227	/nfs/dbraw/zinc/55/02/27/938550227.db2.gz	UFWTWBSUAIRSSL-INMHGKMJSA-N	1	0	369.473	1.288	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2cnc(C)c2)C[C@@H]1n1ccnn1	ZINC001129910435	938550244	/nfs/dbraw/zinc/55/02/44/938550244.db2.gz	SVDXJIBZOJSKEL-SJORKVTESA-N	1	0	371.489	1.526	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cn2cc(C3CC3)cn2)C[C@@H]1n1ccnn1	ZINC001129916675	938553569	/nfs/dbraw/zinc/55/35/69/938553569.db2.gz	AOKWOVZCJWIVLZ-MSOLQXFVSA-N	1	0	369.473	1.360	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H]([NH2+]CC[C@H]3CCOC3)[C@@H](n3ccnn3)C2)CCC1	ZINC001129894668	938556142	/nfs/dbraw/zinc/55/61/42/938556142.db2.gz	OJFBKWKOZZREIH-KSZLIROESA-N	1	0	371.485	1.240	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccnc(CCC)c2)C[C@@H]1n1ccnn1	ZINC001129899591	938559334	/nfs/dbraw/zinc/55/93/34/938559334.db2.gz	AKDDMQMTURYTBC-MSOLQXFVSA-N	1	0	352.442	1.304	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(F)c(C)cc2F)C[C@@H]1n1ccnn1	ZINC001129902301	938560843	/nfs/dbraw/zinc/56/08/43/938560843.db2.gz	CVCSMDLQUXKHPN-SJORKVTESA-N	1	0	359.380	1.543	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2coc3cc(F)ccc32)C[C@@H]1n1ccnn1	ZINC001129918761	938567288	/nfs/dbraw/zinc/56/72/88/938567288.db2.gz	HXTNBABWHPISAI-SJORKVTESA-N	1	0	367.384	1.842	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)COCc2cccc(OC)c2)C[C@@H]1n1ccnn1	ZINC001129919258	938567700	/nfs/dbraw/zinc/56/77/00/938567700.db2.gz	SLBQNNTZNOCRPL-MSOLQXFVSA-N	1	0	371.441	1.031	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3c2CCCC3)C[C@@H]1n1ccnn1	ZINC001129921170	938568574	/nfs/dbraw/zinc/56/85/74/938568574.db2.gz	TXAPCZKVOUQEMG-CVEARBPZSA-N	1	0	355.446	1.111	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCOCC(F)(F)F)C[C@@H]1n1ccnn1	ZINC001129923571	938569434	/nfs/dbraw/zinc/56/94/34/938569434.db2.gz	KHWNOXZVOJCHFM-OLZOCXBDSA-N	1	0	361.368	1.165	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2snnc2CC)C[C@@H]1n1ccnn1	ZINC001129928856	938572183	/nfs/dbraw/zinc/57/21/83/938572183.db2.gz	QKZKCMVVXBSDCZ-KGLIPLIRSA-N	1	0	361.475	1.314	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129964174	938579834	/nfs/dbraw/zinc/57/98/34/938579834.db2.gz	ZTNOVQNXKTYODR-MOPGFXCFSA-N	1	0	363.465	1.884	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H]([NH2+]Cc2ccnn2C)[C@@H](n2ccnn2)C1	ZINC001129977946	938593378	/nfs/dbraw/zinc/59/33/78/938593378.db2.gz	LKKHZNNBPOOTIN-UAGQMJEPSA-N	1	0	357.462	1.156	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2ccnn2C)[C@@H](n2ccnn2)C1	ZINC001129978114	938593694	/nfs/dbraw/zinc/59/36/94/938593694.db2.gz	QXWXNSNRDKAYDN-OIISXLGYSA-N	1	0	357.462	1.156	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(C)nc(OC)c2)C[C@@H]1n1ccnn1	ZINC001129980661	938595694	/nfs/dbraw/zinc/59/56/94/938595694.db2.gz	RRXPTZRKTUFPKP-SJORKVTESA-N	1	0	370.457	1.612	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(F)c(F)c2F)C[C@@H]1n1ccnn1	ZINC001129982941	938597936	/nfs/dbraw/zinc/59/79/36/938597936.db2.gz	KJAUKTPPDZOVDH-KGLIPLIRSA-N	1	0	363.343	1.374	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]([NH2+]CCC(C)C)[C@@H](n3ccnn3)C2)c1	ZINC001129997263	938605254	/nfs/dbraw/zinc/60/52/54/938605254.db2.gz	GQMKBHCIQBOXAJ-MSOLQXFVSA-N	1	0	352.442	1.356	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cc2C)C[C@@H]1n1ccnn1	ZINC001130000511	938607512	/nfs/dbraw/zinc/60/75/12/938607512.db2.gz	BRSPALOGUQBHJD-OIISXLGYSA-N	1	0	370.457	1.697	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]([NH2+]C[C@H](OC)C2CCC2)[C@@H](n2ccnn2)C1	ZINC001129986497	938609733	/nfs/dbraw/zinc/60/97/33/938609733.db2.gz	CIRLGYQWFWDIER-SQNIBIBYSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2CC(C)C)C[C@@H]1n1ccnn1	ZINC001130011985	938614510	/nfs/dbraw/zinc/61/45/10/938614510.db2.gz	HSNQOGKSHOGZNV-TVFCKZIOSA-N	1	0	361.490	1.504	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)n[nH]2)C[C@@H]1n1ccnn1	ZINC001130014701	938616246	/nfs/dbraw/zinc/61/62/46/938616246.db2.gz	AMKQJRLEBJGAEW-SJORKVTESA-N	1	0	357.462	1.746	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cccc3c2OCC3)C[C@@H]1n1ccnn1	ZINC001130015202	938616505	/nfs/dbraw/zinc/61/65/05/938616505.db2.gz	MNYFHAGJBSDMGC-MSOLQXFVSA-N	1	0	367.453	1.835	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2[C@@H]3CCCCCC[C@@H]23)C[C@@H]1n1ccnn1	ZINC001130017453	938617691	/nfs/dbraw/zinc/61/76/91/938617691.db2.gz	JDMQYYUFQHIZJO-TVFCKZIOSA-N	1	0	355.486	1.859	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2nc(C3CC3)no2)C[C@@H]1n1ccnn1	ZINC001130030898	938632459	/nfs/dbraw/zinc/63/24/59/938632459.db2.gz	XKGKNABGFOICJI-CABCVRRESA-N	1	0	371.445	1.089	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(C)nc(C)n2)C[C@@H]1n1ccnn1	ZINC001130038215	938636301	/nfs/dbraw/zinc/63/63/01/938636301.db2.gz	SDMFESKLQIBAHM-XWIAVFTESA-N	1	0	369.473	1.695	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)C[C@H](C)O3)C[C@@H]1n1ccnn1	ZINC001130038264	938636391	/nfs/dbraw/zinc/63/63/91/938636391.db2.gz	VESVECVXUZOZLS-QGTPRVQTSA-N	1	0	365.437	1.280	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2C(C)(C)C)C[C@@H]1n1ccnn1	ZINC001130043906	938643020	/nfs/dbraw/zinc/64/30/20/938643020.db2.gz	GJRNZXLESPQQMO-CVEARBPZSA-N	1	0	371.489	1.541	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)c(C)c2)C[C@@H]1n1ccnn1	ZINC001130044017	938643037	/nfs/dbraw/zinc/64/30/37/938643037.db2.gz	LPCBIGDDIYMNKL-SJORKVTESA-N	1	0	355.442	1.827	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCc3ccccc32)C[C@@H]1n1ccnn1	ZINC001130047040	938645921	/nfs/dbraw/zinc/64/59/21/938645921.db2.gz	SNVRKXQKKIRHQM-SXLOBPIMSA-N	1	0	363.465	1.763	20	30		FDEDRO
C#CCCCNC(=O)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1	ZINC000805006917	938646566	/nfs/dbraw/zinc/64/65/66/938646566.db2.gz	KMEHZOAAYXUNDA-UHFFFAOYSA-N	1	0	374.460	1.113	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnn(C(F)F)c2)C[C@@H]1n1ccnn1	ZINC001130057155	938646638	/nfs/dbraw/zinc/64/66/38/938646638.db2.gz	LFMLVNJADSPMMV-KGLIPLIRSA-N	1	0	365.388	1.491	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2coc(C3CCCC3)n2)C[C@@H]1n1ccnn1	ZINC001130062441	938650441	/nfs/dbraw/zinc/65/04/41/938650441.db2.gz	FZVQWIVIZMLBTF-WBVHZDCISA-N	1	0	368.441	1.602	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2nocc2C)C[C@@H]1n1ccnn1	ZINC001130075363	938669521	/nfs/dbraw/zinc/66/95/21/938669521.db2.gz	UREQTTXIMTXUDX-CVEARBPZSA-N	1	0	358.446	1.976	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc3nc(C)[nH]c32)C[C@@H]1n1ccnn1	ZINC001130079526	938672543	/nfs/dbraw/zinc/67/25/43/938672543.db2.gz	NXDQBUNHRTXUEU-SJORKVTESA-N	1	0	365.441	1.694	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCOc2ccccc2CC)C[C@@H]1n1ccnn1	ZINC001130079710	938672685	/nfs/dbraw/zinc/67/26/85/938672685.db2.gz	WRILRXBZIRNESE-MSOLQXFVSA-N	1	0	367.453	1.284	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@](C)(OC)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130088939	938675550	/nfs/dbraw/zinc/67/55/50/938675550.db2.gz	PYXZDBJNIHKTTN-WSTZPKSXSA-N	1	0	367.453	1.205	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]CC=C(C)C)[C@@H](n3ccnn3)C2)nc1	ZINC001130091535	938677264	/nfs/dbraw/zinc/67/72/64/938677264.db2.gz	YYZBWDFHDCBPCD-MSOLQXFVSA-N	1	0	350.426	1.276	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]C[C@@H](F)CC)[C@@H](n3ccnn3)C2)nc1	ZINC001130094817	938679365	/nfs/dbraw/zinc/67/93/65/938679365.db2.gz	QVEXKFOKEQGGGP-UAGQMJEPSA-N	1	0	356.405	1.058	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc3ccccc3n2)C[C@@H]1n1ccnn1	ZINC001130100058	938682838	/nfs/dbraw/zinc/68/28/38/938682838.db2.gz	WZCANPFEIUTJMF-MOPGFXCFSA-N	1	0	360.421	1.505	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]cnc2C)C[C@@H]1n1ccnn1	ZINC001130107183	938687312	/nfs/dbraw/zinc/68/73/12/938687312.db2.gz	HZVPUSHMJFXJFE-XYPHTWIQSA-N	1	0	357.462	1.249	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cncnc2CC)C[C@@H]1n1ccnn1	ZINC001130125289	938696025	/nfs/dbraw/zinc/69/60/25/938696025.db2.gz	GFTXASWLLCSLRP-SJORKVTESA-N	1	0	355.446	1.252	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCOc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130125525	938696671	/nfs/dbraw/zinc/69/66/71/938696671.db2.gz	RVWYGFIQJLDLCW-MSOLQXFVSA-N	1	0	353.426	1.112	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2ccccc2F)C[C@@H]1n1ccnn1	ZINC001130118398	938701468	/nfs/dbraw/zinc/70/14/68/938701468.db2.gz	FBLIMQSQKCFXTN-MSOLQXFVSA-N	1	0	355.417	1.415	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)COCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130123330	938705349	/nfs/dbraw/zinc/70/53/49/938705349.db2.gz	NONQWDOQDZTVJJ-MOPGFXCFSA-N	1	0	369.469	1.803	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)c2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001130146395	938706464	/nfs/dbraw/zinc/70/64/64/938706464.db2.gz	POHFPGWDSORRPL-OTWHNJEPSA-N	1	0	369.444	1.976	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2cccc(OCC)c2)C[C@@H]1n1ccnn1	ZINC001130142816	938714271	/nfs/dbraw/zinc/71/42/71/938714271.db2.gz	IEAUWRCGSUEOCK-MOPGFXCFSA-N	1	0	369.469	1.837	20	30		FDEDRO
C=C[C@H](C(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1)c1ccccc1	ZINC001130143492	938714534	/nfs/dbraw/zinc/71/45/34/938714534.db2.gz	WGSAKMXPEUYFFJ-KSZLIROESA-N	1	0	357.433	1.949	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC(C)C)cn2)C[C@@H]1n1ccnn1	ZINC001130158430	938719861	/nfs/dbraw/zinc/71/98/61/938719861.db2.gz	JOTUZALNSSTDLN-MSOLQXFVSA-N	1	0	368.441	1.139	20	30		FDEDRO
C#C[C@H](CC)NC(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000805348658	938721716	/nfs/dbraw/zinc/72/17/16/938721716.db2.gz	WPCPELHZPWRREZ-UXHICEINSA-N	1	0	354.498	2.000	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=Cc2ccco2)[nH]1	ZINC001130177495	938725030	/nfs/dbraw/zinc/72/50/30/938725030.db2.gz	CXSJXRHOIMKYAT-MIVXPEEVSA-N	1	0	371.441	1.766	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C)o2)[nH]1	ZINC001130181248	938728376	/nfs/dbraw/zinc/72/83/76/938728376.db2.gz	CPSXCTPXTZNCLK-ZFWWWQNUSA-N	1	0	359.430	1.674	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cccc(F)c2)n1	ZINC001130181962	938729279	/nfs/dbraw/zinc/72/92/79/938729279.db2.gz	ZXXFCEJMMJJEOC-HOTGVXAUSA-N	1	0	371.416	1.359	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C)nc2)[nH]1	ZINC001130187325	938733139	/nfs/dbraw/zinc/73/31/39/938733139.db2.gz	ZZTGDRJDLAPJDY-GJZGRUSLSA-N	1	0	356.430	1.086	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccoc2)n1	ZINC001130183215	938742665	/nfs/dbraw/zinc/74/26/65/938742665.db2.gz	WVFNYOCVNFTRDX-STQMWFEESA-N	1	0	365.821	1.542	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccncc2C)[nH]1	ZINC001130207532	938746663	/nfs/dbraw/zinc/74/66/63/938746663.db2.gz	FFRNBOUPUGPVJY-GJZGRUSLSA-N	1	0	356.430	1.086	20	30		FDEDRO
C#CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCC(C)C)[nH]1	ZINC001130209920	938747888	/nfs/dbraw/zinc/74/78/88/938747888.db2.gz	QUOOUBABWITQHD-HOTGVXAUSA-N	1	0	361.490	1.733	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2ccccc2)[nH]1	ZINC001130221081	938756405	/nfs/dbraw/zinc/75/64/05/938756405.db2.gz	SYHONJPORLFYGD-IRXDYDNUSA-N	1	0	369.469	1.702	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C/C=C(\C)C=C)[nH]1	ZINC001130227730	938761933	/nfs/dbraw/zinc/76/19/33/938761933.db2.gz	MAGNVMRSEIQQLM-JEYQBLLFSA-N	1	0	359.474	1.982	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)c(C)cn2)[nH]1	ZINC001130230457	938764264	/nfs/dbraw/zinc/76/42/64/938764264.db2.gz	WPDZFYHHLOBZTD-HOCLYGCPSA-N	1	0	370.457	1.395	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(CF)CCC2)[nH]1	ZINC001130238106	938767825	/nfs/dbraw/zinc/76/78/25/938767825.db2.gz	UDFXESOKXNAQKW-KBPBESRZSA-N	1	0	365.453	1.599	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[C@H](C)CC)[nH]1	ZINC001130242335	938769690	/nfs/dbraw/zinc/76/96/90/938769690.db2.gz	RNSJRVYHJIFKNJ-PMPSAXMXSA-N	1	0	361.490	1.733	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)CCOC)[nH]1	ZINC001130251524	938774846	/nfs/dbraw/zinc/77/48/46/938774846.db2.gz	ZBBALPTZIIAIPN-ILXRZTDVSA-N	1	0	365.478	1.132	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)OCC=C)[nH]1	ZINC001130251403	938774935	/nfs/dbraw/zinc/77/49/35/938774935.db2.gz	RYGJDIKMSJFOMU-KKUMJFAQSA-N	1	0	363.462	1.050	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)C(C)(C)C)CC1	ZINC001130280920	938779183	/nfs/dbraw/zinc/77/91/83/938779183.db2.gz	CGIFCKDZXHJTAE-WBVHZDCISA-N	1	0	363.502	1.653	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CO[C@H](C)CC)CC1	ZINC001130281621	938779404	/nfs/dbraw/zinc/77/94/04/938779404.db2.gz	KKYWKTAXRIDNJQ-MDYRTPRTSA-N	1	0	363.502	1.300	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)/C=C\c2ccco2)CC1	ZINC001130271808	938785708	/nfs/dbraw/zinc/78/57/08/938785708.db2.gz	UCISQPUMFOVMRI-PGTZJJDYSA-N	1	0	355.438	1.401	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCOCC)CC1	ZINC001130278876	938789004	/nfs/dbraw/zinc/78/90/04/938789004.db2.gz	IILYBKCAKDOJLC-APWZRJJASA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C(C)CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)COC)CC1	ZINC001130279241	938789294	/nfs/dbraw/zinc/78/92/94/938789294.db2.gz	XPGYINXZSAXLFD-WDYCEAGBSA-N	1	0	365.518	1.711	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2(C(F)F)CC2)CC1	ZINC001130288882	938793779	/nfs/dbraw/zinc/79/37/79/938793779.db2.gz	YVJCBHHKPARAFD-ZBFHGGJFSA-N	1	0	367.440	1.530	20	30		FDEDRO
CC[C@@H](C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C#CC2CC2)CC1	ZINC001130290861	938795412	/nfs/dbraw/zinc/79/54/12/938795412.db2.gz	OTWWMGZCRANKHW-FPDPHYFHSA-N	1	0	359.514	1.921	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC)CC1	ZINC001130292762	938796393	/nfs/dbraw/zinc/79/63/93/938796393.db2.gz	AHDGBESWAUMYDM-IMFGXOCKSA-N	1	0	365.518	1.711	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(C)(C)COC)CC1	ZINC001130293154	938796804	/nfs/dbraw/zinc/79/68/04/938796804.db2.gz	NCILQDQBNNSUJR-AEFFLSMTSA-N	1	0	363.502	1.158	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1	ZINC001130298891	938798950	/nfs/dbraw/zinc/79/89/50/938798950.db2.gz	KXGOPHSFNJJTOZ-HHXXYDBFSA-N	1	0	351.491	1.056	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH+](CCO)CC2)CCC1	ZINC001130304941	938803068	/nfs/dbraw/zinc/80/30/68/938803068.db2.gz	GAFWHSRRCDIZIU-AEFFLSMTSA-N	1	0	363.502	1.201	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCCOC(C)C)CC1	ZINC001130310546	938807292	/nfs/dbraw/zinc/80/72/92/938807292.db2.gz	NFHZPALJFVMPIA-XLIONFOSSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1c[nH]nc1[C@H]1CC[N@@H+](CCCOC)C1	ZINC001130422881	938843893	/nfs/dbraw/zinc/84/38/93/938843893.db2.gz	CFSOZSQCQIQFEJ-UAGQMJEPSA-N	1	0	362.474	1.443	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cccs2)C[C@H]1c1cn(C)cn1	ZINC001130483218	938877365	/nfs/dbraw/zinc/87/73/65/938877365.db2.gz	UPWADGYOZGTFSL-GOEBONIOSA-N	1	0	358.467	1.329	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CNC(=O)CC)C[C@H]1c1cn(C)cn1	ZINC001130531833	938900422	/nfs/dbraw/zinc/90/04/22/938900422.db2.gz	IFMWGPDVFNWKQB-YQQAZPJKSA-N	1	0	361.490	1.185	20	30		FDEDRO
C#CCCN1CC[NH+](C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000822784440	945221931	/nfs/dbraw/zinc/22/19/31/945221931.db2.gz	APJNFMAQRSRVAB-HXUWFJFHSA-N	1	0	365.518	1.779	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnn(CC)n2)C[C@H]1c1cn(C)cn1	ZINC001130578050	939876006	/nfs/dbraw/zinc/87/60/06/939876006.db2.gz	BJUQTJJQXUTUQY-WMLDXEAASA-N	1	0	357.462	1.196	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnc(C)o2)C1	ZINC001130576361	939879084	/nfs/dbraw/zinc/87/90/84/939879084.db2.gz	NIUVCFDQDZBCID-PKOBYXMFSA-N	1	0	369.469	1.994	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@@H]2CCCOC2)C1	ZINC001130583493	939883338	/nfs/dbraw/zinc/88/33/38/939883338.db2.gz	CALYVFMFSWMLFY-JENIJYKNSA-N	1	0	358.486	1.390	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2nn(C)cc2C)C[C@H]1c1cn(C)cn1	ZINC001130583734	939883787	/nfs/dbraw/zinc/88/37/87/939883787.db2.gz	OCULYQINNZLAQE-DOTOQJQBSA-N	1	0	356.474	1.626	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3cn[nH]c32)C[C@H]1c1cn(C)cn1	ZINC001130590311	939896677	/nfs/dbraw/zinc/89/66/77/939896677.db2.gz	JOMOBOBWHKVDTA-SOLBZPMBSA-N	1	0	368.485	1.723	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCCOCCC=C)C[C@H]1c1cn(C)cn1	ZINC001130590591	939897490	/nfs/dbraw/zinc/89/74/90/939897490.db2.gz	YFKVDBDEAOVEKW-PKOBYXMFSA-N	1	0	358.486	1.700	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(OC)ns2)C[C@H]1c1cn(C)cn1	ZINC001130593036	939899986	/nfs/dbraw/zinc/89/99/86/939899986.db2.gz	LXNYGLKNOIAUNL-GXTWGEPZSA-N	1	0	359.455	1.106	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCOCC)C2)CCC1	ZINC001130610334	939907957	/nfs/dbraw/zinc/90/79/57/939907957.db2.gz	JDGLXGWSHWUQAY-FUHWJXTLSA-N	1	0	358.486	1.534	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CC2(C(F)(F)F)CC2)C[C@H]1c1cn(C)cn1	ZINC001130610662	939908057	/nfs/dbraw/zinc/90/80/57/939908057.db2.gz	PSZANJMTHZNROD-GXTWGEPZSA-N	1	0	354.376	1.670	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)n(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130602673	939914556	/nfs/dbraw/zinc/91/45/56/939914556.db2.gz	MXXQPGOMNDFISE-MAUKXSAKSA-N	1	0	366.469	1.252	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn3c2CCC3)C[C@H]1c1cn(C)cn1	ZINC001130605019	939916356	/nfs/dbraw/zinc/91/63/56/939916356.db2.gz	VDKNAXFOZQHHKL-DOTOQJQBSA-N	1	0	354.458	1.337	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1c1cn(C)cn1	ZINC001130615533	939918573	/nfs/dbraw/zinc/91/85/73/939918573.db2.gz	UZJNMDSOCPAKGQ-GOEBONIOSA-N	1	0	356.430	1.080	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(Cl)n(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130623490	939921581	/nfs/dbraw/zinc/92/15/81/939921581.db2.gz	AROSHYNMLICVSM-SWLSCSKDSA-N	1	0	360.849	1.028	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2cccnc2)C[C@H]1c1cn(C)cn1	ZINC001130624395	939922166	/nfs/dbraw/zinc/92/21/66/939922166.db2.gz	UKJDWGYWLFDILC-PKOBYXMFSA-N	1	0	353.470	1.908	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3ccccc3O2)C[C@H]1c1cn(C)cn1	ZINC001130624562	939922680	/nfs/dbraw/zinc/92/26/80/939922680.db2.gz	YGGALLDOERBHOF-ILZDJORESA-N	1	0	364.449	1.331	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCCO1	ZINC000806425818	939922716	/nfs/dbraw/zinc/92/27/16/939922716.db2.gz	PEKVWXRBXZBCMK-QYZOEREBSA-N	1	0	369.465	1.064	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccnc(OC)n2)C[C@H]1c1cn(C)cn1	ZINC001130626969	939924672	/nfs/dbraw/zinc/92/46/72/939924672.db2.gz	VXEBSIYICBCDCX-WMLDXEAASA-N	1	0	370.457	1.383	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccnc2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130621982	939931646	/nfs/dbraw/zinc/93/16/46/939931646.db2.gz	KVGXNBXHAMBXHK-PKOBYXMFSA-N	1	0	363.465	1.914	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2cncc(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130632867	939936164	/nfs/dbraw/zinc/93/61/64/939936164.db2.gz	UOAFQXBMHBMJAL-PKOBYXMFSA-N	1	0	351.454	1.274	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)[nH]c2=O)C[C@H]1c1cn(C)cn1	ZINC001130635154	939937466	/nfs/dbraw/zinc/93/74/66/939937466.db2.gz	KZXMBZRDQALKEB-DOTOQJQBSA-N	1	0	367.453	1.359	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCCOC)C1	ZINC001130649649	939944954	/nfs/dbraw/zinc/94/49/54/939944954.db2.gz	RKJNWMBBZWIVKL-PKOBYXMFSA-N	1	0	360.502	1.924	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2(C)CC(=C)C2)C[C@H]1c1cn(C)cn1	ZINC001130666981	939959121	/nfs/dbraw/zinc/95/91/21/939959121.db2.gz	COAUSKSHWIZZDC-FUHWJXTLSA-N	1	0	358.486	1.863	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2(C)CC=CC2)C[C@H]1c1cn(C)cn1	ZINC001130659898	939965804	/nfs/dbraw/zinc/96/58/04/939965804.db2.gz	ZPRNWQSGIGQUTD-FUHWJXTLSA-N	1	0	356.470	1.310	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCOCC)C2)c1	ZINC001130672525	939971552	/nfs/dbraw/zinc/97/15/52/939971552.db2.gz	RFEGDJNVHPCOBR-PKOBYXMFSA-N	1	0	367.453	1.031	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)NC(C)=O)C[C@H]1c1cn(C)cn1	ZINC001130685013	939974515	/nfs/dbraw/zinc/97/45/15/939974515.db2.gz	AEVVNAVREOCCAF-LZLYRXPVSA-N	1	0	361.490	1.185	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccn(C(C)C)n2)C[C@H]1c1cn(C)cn1	ZINC001130685235	939974979	/nfs/dbraw/zinc/97/49/79/939974979.db2.gz	JTRUJFJQJWNXJA-MAUKXSAKSA-N	1	0	354.458	1.419	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COC2CCOCC2)C[C@H]1c1cn(C)cn1	ZINC001130685143	939975022	/nfs/dbraw/zinc/97/50/22/939975022.db2.gz	GFASIKNGPNTLJE-FUHWJXTLSA-N	1	0	362.474	1.076	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130685359	939975309	/nfs/dbraw/zinc/97/53/09/939975309.db2.gz	PVDPSOZOVGSDOU-UWWQBHOKSA-N	1	0	356.474	1.625	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C(C)C)C1	ZINC001130687482	939977169	/nfs/dbraw/zinc/97/71/69/939977169.db2.gz	BXXWRNSWQYDMRT-LZLYRXPVSA-N	1	0	361.490	1.183	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCC)C1	ZINC001130687766	939977769	/nfs/dbraw/zinc/97/77/69/939977769.db2.gz	PNFAKTNFKOCSNJ-XYJFISCASA-N	1	0	361.490	1.185	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCCC)C2)nn1	ZINC001130689720	939979580	/nfs/dbraw/zinc/97/95/80/939979580.db2.gz	HTKAMRIHBKULKI-DOTOQJQBSA-N	1	0	371.489	1.586	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(CCCCC)n[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130690074	939979895	/nfs/dbraw/zinc/97/98/95/939979895.db2.gz	VRXHHUNGROBVGJ-QFBILLFUSA-N	1	0	368.485	1.707	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1c1cn(C)cn1	ZINC001130689832	939979974	/nfs/dbraw/zinc/97/99/74/939979974.db2.gz	OBOQBNSICIEYSR-HLLBOEOZSA-N	1	0	361.490	1.137	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(CCC)on2)C[C@H]1c1cn(C)cn1	ZINC001130706853	939988832	/nfs/dbraw/zinc/98/88/32/939988832.db2.gz	XDKLIBNKLWUWRH-MAUKXSAKSA-N	1	0	355.442	1.582	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cccnn2)C[C@H]1c1cn(C)cn1	ZINC001130701174	939996364	/nfs/dbraw/zinc/99/63/64/939996364.db2.gz	OHILJGYZPJHOTN-RVKKMQEKSA-N	1	0	354.458	1.763	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1c1cn(C)cn1	ZINC001130712989	940000414	/nfs/dbraw/zinc/00/04/14/940000414.db2.gz	XAQPAQSOYXZEJQ-DZGCQCFKSA-N	1	0	350.413	1.763	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCCC=C)C2)cn1	ZINC001130714906	940007254	/nfs/dbraw/zinc/00/72/54/940007254.db2.gz	OOZOSHMTOXBWDJ-AZUAARDMSA-N	1	0	363.465	1.960	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCC(=C)C)C2)cn1	ZINC001130715251	940007553	/nfs/dbraw/zinc/00/75/53/940007553.db2.gz	VKNMCTJQZIAIRJ-AZUAARDMSA-N	1	0	363.465	1.960	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)cc2)C[C@H]1c1cn(C)cn1	ZINC001130717419	940008531	/nfs/dbraw/zinc/00/85/31/940008531.db2.gz	KALVNLSVJVBWQC-AZUAARDMSA-N	1	0	366.465	1.576	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cccn2)C[C@H]1c1cn(C)cn1	ZINC001130708259	940014142	/nfs/dbraw/zinc/01/41/42/940014142.db2.gz	FWMYMUMRCAQVGX-SOLBZPMBSA-N	1	0	354.458	1.175	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCOc2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130729110	940018034	/nfs/dbraw/zinc/01/80/34/940018034.db2.gz	VNODLAXJHUBLSR-AZUAARDMSA-N	1	0	366.465	1.797	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCCc2ccccn2)C[C@H]1c1cn(C)cn1	ZINC001130719683	940023603	/nfs/dbraw/zinc/02/36/03/940023603.db2.gz	ZXNDNHQIYRNGGO-AZUAARDMSA-N	1	0	365.481	1.745	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2cccc(OC)c2)C[C@H]1c1cn(C)cn1	ZINC001130723293	940028069	/nfs/dbraw/zinc/02/80/69/940028069.db2.gz	HQZXRBCNCAFBTG-AZUAARDMSA-N	1	0	366.465	1.579	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCCC(C)C)C[C@H]1c1cn(C)cn1	ZINC001130736342	940037436	/nfs/dbraw/zinc/03/74/36/940037436.db2.gz	BYCDUAVBQONMFP-ZIFCJYIRSA-N	1	0	360.502	1.779	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCCC[C@H]2COC(=O)NCC)CC1	ZINC000806746479	940044390	/nfs/dbraw/zinc/04/43/90/940044390.db2.gz	GRKPLCAXNANOTI-INIZCTEOSA-N	1	0	352.479	1.947	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2cncc(F)c2)C[C@H]1c1cn(C)cn1	ZINC001130741428	940044876	/nfs/dbraw/zinc/04/48/76/940044876.db2.gz	BHXMRAVBKWIJNC-PKOBYXMFSA-N	1	0	369.444	1.494	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC23CCOCC3)C[C@H]1c1cn(C)cn1	ZINC001130745159	940049198	/nfs/dbraw/zinc/04/91/98/940049198.db2.gz	SIBSITLNOZBTCU-LZLYRXPVSA-N	1	0	358.486	1.697	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1O	ZINC001090493590	940053192	/nfs/dbraw/zinc/05/31/92/940053192.db2.gz	UVNOYWBBCNETAM-ZMSDIMECSA-N	1	0	366.412	1.043	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccn[nH]3)n2)O1	ZINC001130762399	940071246	/nfs/dbraw/zinc/07/12/46/940071246.db2.gz	UNWMNGDZNSLJEJ-GXTWGEPZSA-N	1	0	359.434	1.234	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCOC(C)C)n2)O1	ZINC001130758167	940083615	/nfs/dbraw/zinc/08/36/15/940083615.db2.gz	VEODFHQGBKFHFF-LSDHHAIUSA-N	1	0	363.462	1.069	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CSC(C)C)n2)O1	ZINC001130758128	940083663	/nfs/dbraw/zinc/08/36/63/940083663.db2.gz	SBAANMVWVYKNHI-UONOGXRCSA-N	1	0	367.519	1.948	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CO[C@@H](C)CC)n2)O1	ZINC001130775156	940091672	/nfs/dbraw/zinc/09/16/72/940091672.db2.gz	MLAKBIZKKPMFKM-SOUVJXGZSA-N	1	0	365.478	1.622	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)COC)n2)O1	ZINC001130769330	940106001	/nfs/dbraw/zinc/10/60/01/940106001.db2.gz	CUYIUKJKSRBTEX-KGYLQXTDSA-N	1	0	371.869	1.266	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3C(C)(C)C3(C)C)n2)O1	ZINC001130772198	940111587	/nfs/dbraw/zinc/11/15/87/940111587.db2.gz	CPKXXNLFEUCREX-QWHCGFSZSA-N	1	0	359.474	1.546	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccn(C)c3)n2)O1	ZINC001130772422	940112151	/nfs/dbraw/zinc/11/21/51/940112151.db2.gz	MESZRSZRMAQLFR-LSDHHAIUSA-N	1	0	358.446	1.459	20	30		FDEDRO
O=C(C#CC1CC1)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC3CCC3)O2)n[nH]1	ZINC001130785595	940120413	/nfs/dbraw/zinc/12/04/13/940120413.db2.gz	WPDHBOWVOMKKEY-JKSUJKDBSA-N	1	0	357.458	1.444	20	30		FDEDRO
C#CCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C[C@@H](C)OC)O2)n[nH]1	ZINC001130778436	940132200	/nfs/dbraw/zinc/13/22/00/940132200.db2.gz	XYEHGPFPWKFRTM-QLFBSQMISA-N	1	0	363.462	1.069	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H](C)SC)n2)O1	ZINC001130781004	940135659	/nfs/dbraw/zinc/13/56/59/940135659.db2.gz	KLZRAQZUVPEHAC-HZSPNIEDSA-N	1	0	365.503	1.396	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H](C)SC)n2)O1	ZINC001130781283	940137182	/nfs/dbraw/zinc/13/71/82/940137182.db2.gz	WXBXYUPFBMBDAI-HZSPNIEDSA-N	1	0	365.503	1.396	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC3(OC)CCC3)n2)O1	ZINC001130782791	940141885	/nfs/dbraw/zinc/14/18/85/940141885.db2.gz	DHBRVMGDKLJYLP-UONOGXRCSA-N	1	0	363.462	1.376	20	30		FDEDRO
C=C(C)CCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCOCC)O2)n[nH]1	ZINC001130787261	940156434	/nfs/dbraw/zinc/15/64/34/940156434.db2.gz	HUXJDNIFXGYRCH-LSDHHAIUSA-N	1	0	365.478	1.623	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCC(F)(F)C3)n2)O1	ZINC001130790003	940161577	/nfs/dbraw/zinc/16/15/77/940161577.db2.gz	CJPIZNSYKNUILK-RWMBFGLXSA-N	1	0	369.416	1.852	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCCC34CC4)n2)O1	ZINC001130789981	940161637	/nfs/dbraw/zinc/16/16/37/940161637.db2.gz	BGBFBBKMJHASRB-SOUVJXGZSA-N	1	0	359.474	1.997	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC3CC(F)(F)C3)n2)O1	ZINC001130790110	940162709	/nfs/dbraw/zinc/16/27/09/940162709.db2.gz	IEFCEHJQMQOMOJ-QWHCGFSZSA-N	1	0	369.416	1.852	20	30		FDEDRO
C=CCC1(C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCF)O3)n[nH]2)CCC1	ZINC001130804887	940176440	/nfs/dbraw/zinc/17/64/40/940176440.db2.gz	RJNKIPJYHZLAEL-UONOGXRCSA-N	1	0	365.453	1.947	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@]34C[C@H]3CCCC4)n2)O1	ZINC001130806954	940181310	/nfs/dbraw/zinc/18/13/10/940181310.db2.gz	NUSZDKXQPOPPFI-NXEZDXNNSA-N	1	0	357.458	1.444	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(CF)CCC3)n2)O1	ZINC001130806688	940181807	/nfs/dbraw/zinc/18/18/07/940181807.db2.gz	IPANRCNCOBUWGG-QWHCGFSZSA-N	1	0	351.426	1.556	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3Cc4ccccc43)n2)O1	ZINC001130799802	940195254	/nfs/dbraw/zinc/19/52/54/940195254.db2.gz	YKUXJICHVZNFGI-USXIJHARSA-N	1	0	367.453	1.757	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3C[C@H]3C3CC3)n2)O1	ZINC001130811625	940205034	/nfs/dbraw/zinc/20/50/34/940205034.db2.gz	AJQFJMKAKSZFBL-CAOSSQGBSA-N	1	0	357.458	1.300	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cccn3CC)n2)O1	ZINC001130817258	940221688	/nfs/dbraw/zinc/22/16/88/940221688.db2.gz	IUQGFYUYYHLKSA-DZGCQCFKSA-N	1	0	358.446	1.552	20	30		FDEDRO
CON=C(C(=O)N(C)CCC[N@H+](C)Cc1ccco1)c1csc(N)n1	ZINC000822908083	945304639	/nfs/dbraw/zinc/30/46/39/945304639.db2.gz	JXBYPBKGTGWGAQ-UHFFFAOYSA-N	1	0	365.459	1.649	20	30		FDEDRO
CCOC(=O)C1C[NH2+]CC=C1Nc1c(Br)cncc1C#N	ZINC001170516902	940237253	/nfs/dbraw/zinc/23/72/53/940237253.db2.gz	KAPSHVMQQPDTMQ-UHFFFAOYSA-N	1	0	351.204	1.360	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c1	ZINC000807149637	940257715	/nfs/dbraw/zinc/25/77/15/940257715.db2.gz	FXIARBNSNOIRMA-IBGZPJMESA-N	1	0	364.449	1.082	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)/C=C\c2ccco2)C[C@H]1c1cncn1C	ZINC001130895669	940293289	/nfs/dbraw/zinc/29/32/89/940293289.db2.gz	HORSULWSRWZSEP-BTFXCVNISA-N	1	0	368.437	1.260	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3scnc3C)C2)C1=O	ZINC001086650193	940303865	/nfs/dbraw/zinc/30/38/65/940303865.db2.gz	LGDNWYZOVLEQFY-RRFJBIMHSA-N	1	0	362.499	1.727	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)n2C)C[C@H]1c1cncn1C	ZINC001130912850	940322096	/nfs/dbraw/zinc/32/20/96/940322096.db2.gz	GUPKCFYPFRCUEY-IAGOWNOFSA-N	1	0	371.485	1.467	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cncc(C)c2)C[C@H]1c1cncn1C	ZINC001130946087	940357223	/nfs/dbraw/zinc/35/72/23/940357223.db2.gz	JKRBUTOHRMAWNB-QZTJIDSGSA-N	1	0	369.469	1.524	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C(F)=C(C)C)C[C@H]1c1cncn1C	ZINC001130957722	940363216	/nfs/dbraw/zinc/36/32/16/940363216.db2.gz	YULBDUAWIPNROP-HUUCEWRRSA-N	1	0	350.438	1.770	20	30		FDEDRO
C[C@@H](F)CC[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1c1cncn1C	ZINC001130961531	940366983	/nfs/dbraw/zinc/36/69/83/940366983.db2.gz	JIHPSPKSVYBWHH-XNRPHZJLSA-N	1	0	358.421	1.566	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1c1cncn1C	ZINC001130961927	940367452	/nfs/dbraw/zinc/36/74/52/940367452.db2.gz	YUMSJJGIZYVJER-NVXWUHKLSA-N	1	0	352.442	1.784	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCO2)C[C@H]1c1cncn1C	ZINC001130961951	940367695	/nfs/dbraw/zinc/36/76/95/940367695.db2.gz	ZXASBJBPZGXKJS-NUJGCVRESA-N	1	0	362.474	1.076	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)SC)C[C@H]1c1cncn1C	ZINC001130968952	940376635	/nfs/dbraw/zinc/37/66/35/940376635.db2.gz	MKCKDPGRQKYUNM-BZUAXINKSA-N	1	0	364.515	1.096	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2conc2C)C1	ZINC001130971392	940380085	/nfs/dbraw/zinc/38/00/85/940380085.db2.gz	MLMMCYPGRDFIKT-IAGOWNOFSA-N	1	0	355.442	1.604	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CCOC)C1	ZINC001130964409	940385798	/nfs/dbraw/zinc/38/57/98/940385798.db2.gz	JPQKUTUDECTXNM-QZTJIDSGSA-N	1	0	356.470	1.148	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ncccc2O)C[C@H]1c1cncn1C	ZINC001130967040	940389359	/nfs/dbraw/zinc/38/93/59/940389359.db2.gz	LGXQZMSABPEUHC-HUUCEWRRSA-N	1	0	355.442	1.685	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1c1cncn1C	ZINC001130981213	940395626	/nfs/dbraw/zinc/39/56/26/940395626.db2.gz	YTJBXAGVSPUXKQ-RBSFLKMASA-N	1	0	357.462	1.101	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1c1cncn1C	ZINC001130975537	940403689	/nfs/dbraw/zinc/40/36/89/940403689.db2.gz	CVTILIALHCILJJ-RRFJBIMHSA-N	1	0	357.462	1.101	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC2=CCCCC2)C1	ZINC001130988914	940410760	/nfs/dbraw/zinc/41/07/60/940410760.db2.gz	PIVBWADNYXPWFA-QXAKKESOSA-N	1	0	370.497	1.843	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccccc2)C1	ZINC001130988890	940410830	/nfs/dbraw/zinc/41/08/30/940410830.db2.gz	OQZYCUVNRZJBNH-RTBURBONSA-N	1	0	366.465	1.544	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccccc2)C1	ZINC001130988975	940411275	/nfs/dbraw/zinc/41/12/75/940411275.db2.gz	RKIDTYJITKKHDG-BHIYHBOVSA-N	1	0	366.465	1.543	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)/C(=C\c2ccccc2)n2nnnc2C)CC1	ZINC000747405161	940412769	/nfs/dbraw/zinc/41/27/69/940412769.db2.gz	VWXRUHMRCJHOTF-XDJHFCHBSA-N	1	0	364.453	1.584	20	30		FDEDRO
Cc1ncsc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1c1cncn1C	ZINC001130991455	940414136	/nfs/dbraw/zinc/41/41/36/940414136.db2.gz	LVBCUKBIPHGTBE-HZPDHXFCSA-N	1	0	371.510	1.929	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnnn2CC)C[C@H]1c1cncn1C	ZINC001130985686	940423011	/nfs/dbraw/zinc/42/30/11/940423011.db2.gz	LKVAOZIFVGRFFP-BZUAXINKSA-N	1	0	371.489	1.584	20	30		FDEDRO
Cn1cncc1[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]CCC(F)(F)F	ZINC001130985835	940423382	/nfs/dbraw/zinc/42/33/82/940423382.db2.gz	RVQCJSKZCHYJND-ZIAGYGMSSA-N	1	0	354.376	1.670	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccnn2C(C)C)C[C@H]1c1cncn1C	ZINC001131003281	940429572	/nfs/dbraw/zinc/42/95/72/940429572.db2.gz	BLXISHGSKALCTA-HZPDHXFCSA-N	1	0	354.458	1.419	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2ccn(C)n2)C[C@H]1c1cncn1C	ZINC001131003990	940430235	/nfs/dbraw/zinc/43/02/35/940430235.db2.gz	WGPYULJWYJJVDA-QZTJIDSGSA-N	1	0	370.501	1.637	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)n(C)n2)C[C@H]1c1cncn1C	ZINC001131006206	940432673	/nfs/dbraw/zinc/43/26/73/940432673.db2.gz	QNSMIUUOYJVSNL-NVXWUHKLSA-N	1	0	366.469	1.252	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]cn2)C[C@H]1c1cncn1C	ZINC001131006198	940432685	/nfs/dbraw/zinc/43/26/85/940432685.db2.gz	PZTPMGKMKWNUAH-IAGOWNOFSA-N	1	0	356.474	1.626	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCc2ncc(C)o2)C[C@H]1c1cncn1C	ZINC001131010435	940441139	/nfs/dbraw/zinc/44/11/39/940441139.db2.gz	LTMIFCOVSAXMDR-HZPDHXFCSA-N	1	0	355.442	1.257	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COCC2CCCC2)C[C@H]1c1cncn1C	ZINC001131010274	940441185	/nfs/dbraw/zinc/44/11/85/940441185.db2.gz	GVTGCUIKCYTQPG-QZTJIDSGSA-N	1	0	358.486	1.534	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2(C3CC3)CC2)C[C@H]1c1cncn1C	ZINC001131012170	940443775	/nfs/dbraw/zinc/44/37/75/940443775.db2.gz	FSDVUIYIAAQLIA-IAGOWNOFSA-N	1	0	358.486	1.697	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cncc3[nH]ccc32)C[C@H]1c1cncn1C	ZINC001131025906	940459014	/nfs/dbraw/zinc/45/90/14/940459014.db2.gz	JTGFEOGYUKAQBU-SJLPKXTDSA-N	1	0	362.437	1.518	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cn2nc(C)cc2C)C[C@H]1c1cncn1C	ZINC001131026036	940459298	/nfs/dbraw/zinc/45/92/98/940459298.db2.gz	QOOHBQHHLFLCOM-IAGOWNOFSA-N	1	0	356.474	1.394	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ncc3ccccn32)C[C@H]1c1cncn1C	ZINC001131028830	940463359	/nfs/dbraw/zinc/46/33/59/940463359.db2.gz	LLCYHESFFFPGLY-IAGOWNOFSA-N	1	0	362.437	1.289	20	30		FDEDRO
N#CCOc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCOC3)C2)cc1	ZINC001086654585	940464536	/nfs/dbraw/zinc/46/45/36/940464536.db2.gz	RWYGCCYURURBPM-OKZBNKHCSA-N	1	0	357.454	2.000	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(C)nn(C)c2C)C[C@H]1c1cncn1C	ZINC001131039934	940467907	/nfs/dbraw/zinc/46/79/07/940467907.db2.gz	BVGQYLSHCDDUAS-HZPDHXFCSA-N	1	0	356.474	1.544	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@]23C[C@H]2CCC3)C[C@H]1c1cncn1C	ZINC001131032993	940469977	/nfs/dbraw/zinc/46/99/77/940469977.db2.gz	CLLKAWUOVLISFK-WOCWXWTJSA-N	1	0	358.486	1.697	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)C=CCC2)C[C@H]1c1cncn1C	ZINC001131046608	940475394	/nfs/dbraw/zinc/47/53/94/940475394.db2.gz	RVKIXLKDVRBQFT-MBOZVWFJSA-N	1	0	356.470	1.310	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnn(C)c2)C1	ZINC001131057266	940477545	/nfs/dbraw/zinc/47/75/45/940477545.db2.gz	AVARWKZLYJCNIN-CGTJXYLNSA-N	1	0	370.501	1.840	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(=O)NCC)C1	ZINC001131057593	940477935	/nfs/dbraw/zinc/47/79/35/940477935.db2.gz	OJFBILHFRYVHFG-BZUAXINKSA-N	1	0	361.490	1.043	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](OC)C(C)C)C[C@H]1c1cncn1C	ZINC001131057922	940478156	/nfs/dbraw/zinc/47/81/56/940478156.db2.gz	YXFGDQJQWBDKSM-NUJGCVRESA-N	1	0	364.490	1.178	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)C(F)(F)F)C[C@H]1c1cncn1C	ZINC001131062154	940479949	/nfs/dbraw/zinc/47/99/49/940479949.db2.gz	ZMLCTKHZNSKWLA-MGPQQGTHSA-N	1	0	356.392	1.916	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2CCC(OC)CC2)C[C@H]1c1cncn1C	ZINC001131055910	940481911	/nfs/dbraw/zinc/48/19/11/940481911.db2.gz	RZSXCIREEMHYRB-OPQOLIRYSA-N	1	0	358.486	1.533	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cc2C)C[C@H]1c1cncn1C	ZINC001131067932	940483167	/nfs/dbraw/zinc/48/31/67/940483167.db2.gz	BPWGKHKCYHLFOU-HZPDHXFCSA-N	1	0	353.426	1.050	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2cncs2)C[C@H]1c1cncn1C	ZINC001131070418	940484668	/nfs/dbraw/zinc/48/46/68/940484668.db2.gz	UQEFHUITLQBSPP-HZPDHXFCSA-N	1	0	357.483	1.417	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccncc2Cl)C[C@H]1c1cncn1C	ZINC001131073502	940485033	/nfs/dbraw/zinc/48/50/33/940485033.db2.gz	FAINEFZLXCFLFV-NVXWUHKLSA-N	1	0	371.872	1.619	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCCOC)C[C@H]1c1cncn1C	ZINC001131086371	940493603	/nfs/dbraw/zinc/49/36/03/940493603.db2.gz	OILZTROIMLWAAC-BRWVUGGUSA-N	1	0	364.490	1.322	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnc(OC)nc2)C[C@H]1c1cncn1C	ZINC001131103485	940501092	/nfs/dbraw/zinc/50/10/92/940501092.db2.gz	MUOGXKVQHIXZQC-HZPDHXFCSA-N	1	0	370.457	1.383	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COc2ccsc2)C[C@H]1c1cncn1C	ZINC001131105699	940501686	/nfs/dbraw/zinc/50/16/86/940501686.db2.gz	FXIQUXWIQBTCAL-HZPDHXFCSA-N	1	0	358.467	1.468	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]cnc2C)C[C@H]1c1cncn1C	ZINC001131117736	940504664	/nfs/dbraw/zinc/50/46/64/940504664.db2.gz	PCCVJLOHNSQAGF-YXJHDRRASA-N	1	0	370.501	1.933	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2c(C)noc2C)C[C@H]1c1cncn1C	ZINC001131120956	940506189	/nfs/dbraw/zinc/50/61/89/940506189.db2.gz	FJOFBKATGKOVMU-IAGOWNOFSA-N	1	0	355.442	1.175	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC[C@H](C)F)C1	ZINC001131132186	940512315	/nfs/dbraw/zinc/51/23/15/940512315.db2.gz	BNLBLYCIVVIWMJ-ARFHVFGLSA-N	1	0	352.454	1.645	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCCCCOCC)C[C@H]1c1cncn1C	ZINC001131136331	940513389	/nfs/dbraw/zinc/51/33/89/940513389.db2.gz	HSNJDOBXEWCWFZ-QZTJIDSGSA-N	1	0	360.502	1.924	20	30		FDEDRO
Cc1c(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)nnn1C	ZINC001086663553	940540661	/nfs/dbraw/zinc/54/06/61/940540661.db2.gz	VEYYMTHILSFERM-WMLDXEAASA-N	1	0	352.442	1.684	20	30		FDEDRO
CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C#CC(C)(C)C)C1	ZINC001131307133	940548878	/nfs/dbraw/zinc/54/88/78/940548878.db2.gz	KCWVJEXKFMXAQT-BBWFWOEESA-N	1	0	361.486	1.942	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](CCO)c2cccs2)nc1	ZINC000808745721	940599808	/nfs/dbraw/zinc/59/98/08/940599808.db2.gz	CSWKMGGJKIJGON-ZDUSSCGKSA-N	1	0	351.453	1.502	20	30		FDEDRO
C=CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cnns2)CC1	ZINC001131448534	940602091	/nfs/dbraw/zinc/60/20/91/940602091.db2.gz	DFLUYLKGDWIWLJ-WBVHZDCISA-N	1	0	350.488	1.990	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2nc(C)n(C)c2C(=O)NCCCC)CC1	ZINC000808777818	940604227	/nfs/dbraw/zinc/60/42/27/940604227.db2.gz	WYHLTYPGZDYXCP-UHFFFAOYSA-N	1	0	359.474	1.542	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H]2COC(=O)C2)CC1	ZINC001131467765	940624489	/nfs/dbraw/zinc/62/44/89/940624489.db2.gz	PMYXNEYVNMYEPF-MDYRTPRTSA-N	1	0	364.486	1.892	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCC=C)CC1	ZINC001131479061	940635491	/nfs/dbraw/zinc/63/54/91/940635491.db2.gz	RVOARCHUXWHSJH-XLIONFOSSA-N	1	0	361.486	1.078	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCOCC)CC1	ZINC001131483051	940638358	/nfs/dbraw/zinc/63/83/58/940638358.db2.gz	LRZKTSWAJZYBOW-HOJAQTOUSA-N	1	0	368.518	1.726	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnc3[nH]cnc3c2)CC1	ZINC001131506636	940668721	/nfs/dbraw/zinc/66/87/21/940668721.db2.gz	IHOXJCOHUAOSOV-AEFFLSMTSA-N	1	0	367.453	1.581	20	30		FDEDRO
C=C(C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](CC)C(N)=O)CC1	ZINC001131506998	940670056	/nfs/dbraw/zinc/67/00/56/940670056.db2.gz	ZTDPZAVICMBEDW-NUJGCVRESA-N	1	0	351.491	1.592	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn(C)nc2CC)CC1	ZINC001131517530	940685004	/nfs/dbraw/zinc/68/50/04/940685004.db2.gz	WKFANWODQANSAX-MOPGFXCFSA-N	1	0	358.486	1.605	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCc2nccn2C)CC1	ZINC001131519131	940687788	/nfs/dbraw/zinc/68/77/88/940687788.db2.gz	GRFWAGAIRMAGHK-APWZRJJASA-N	1	0	362.474	1.108	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCN(C)C(=O)C2)CC1	ZINC001131519189	940688210	/nfs/dbraw/zinc/68/82/10/940688210.db2.gz	IWZLVLHTTNNGDI-SCTDSRPQSA-N	1	0	363.502	1.417	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ncc(F)cc2F)CC1	ZINC001131519531	940688836	/nfs/dbraw/zinc/68/88/36/940688836.db2.gz	PXMPXRXLDRKRMV-AEFFLSMTSA-N	1	0	363.408	1.982	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(C3CC3)n(C)n2)CC1	ZINC001131512342	940695111	/nfs/dbraw/zinc/69/51/11/940695111.db2.gz	ZBSMANXYIRJGCO-XLIONFOSSA-N	1	0	370.497	1.920	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccnc(OC)c2)CC1	ZINC001131526557	940711391	/nfs/dbraw/zinc/71/13/91/940711391.db2.gz	ZIBGCXADEVLLKA-MJGOQNOKSA-N	1	0	357.454	1.713	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCOC)CC2)cc1	ZINC001131543622	940719558	/nfs/dbraw/zinc/71/95/58/940719558.db2.gz	LIJSRYCRYSKEHD-UXHICEINSA-N	1	0	356.466	1.914	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCF)CC1	ZINC001131545802	940721379	/nfs/dbraw/zinc/72/13/79/940721379.db2.gz	FACCNTAUXLLNSG-LESCRADOSA-N	1	0	369.481	1.413	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@]2(COC)CCOC2)CC1	ZINC001131538851	940726577	/nfs/dbraw/zinc/72/65/77/940726577.db2.gz	WXYPITQMXMNJBN-AOIWGVFYSA-N	1	0	352.475	1.211	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(OC)nn2)CC1	ZINC001131590427	940759645	/nfs/dbraw/zinc/75/96/45/940759645.db2.gz	AIDNVEFYQJVUBV-QAPCUYQASA-N	1	0	360.458	1.661	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)Oc2ccccn2)CC1	ZINC001131592922	940763884	/nfs/dbraw/zinc/76/38/84/940763884.db2.gz	COJKURBYAIWBLQ-HQRMLTQVSA-N	1	0	371.481	1.858	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)CC(C)(C)C)CC1	ZINC001131604894	940774317	/nfs/dbraw/zinc/77/43/17/940774317.db2.gz	LRUGTHLSZFXMIR-APWZRJJASA-N	1	0	363.502	1.158	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)[C@H](C)CC)CC1	ZINC001131604996	940774682	/nfs/dbraw/zinc/77/46/82/940774682.db2.gz	RNCXFGBXBSBFBC-SUMDDJOVSA-N	1	0	363.502	1.158	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)[C@@H](C)CC)CC1	ZINC001131604997	940774838	/nfs/dbraw/zinc/77/48/38/940774838.db2.gz	RNCXFGBXBSBFBC-WDYCEAGBSA-N	1	0	363.502	1.158	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]C[C@@H](C)OC)CC2)nc1	ZINC001131596915	940780576	/nfs/dbraw/zinc/78/05/76/940780576.db2.gz	ASQHFJOSDBDRAU-ZTNFWEORSA-N	1	0	371.481	1.697	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(C#C)cn2)CC1	ZINC001131597222	940780785	/nfs/dbraw/zinc/78/07/85/940780785.db2.gz	RIXIVIGLHXFGNY-QUCCMNQESA-N	1	0	351.450	1.686	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)C)CC1	ZINC001131597322	940781296	/nfs/dbraw/zinc/78/12/96/940781296.db2.gz	WQLBYSKTBFBQOL-UAGQMJEPSA-N	1	0	363.502	1.156	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1)[C@@H]1CCCO1	ZINC000809313517	940817548	/nfs/dbraw/zinc/81/75/48/940817548.db2.gz	SWOZUUAEJNREPG-OALUTQOASA-N	1	0	371.481	1.394	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)C(C)C	ZINC000809347225	940823486	/nfs/dbraw/zinc/82/34/86/940823486.db2.gz	HONJJKPZZCWDCW-CYBMUJFWSA-N	1	0	360.462	1.071	20	30		FDEDRO
CCCN(CCC[NH+](C)C)C(=O)C(=O)NCc1ccc(OC)c(C#N)c1	ZINC000809501933	940844858	/nfs/dbraw/zinc/84/48/58/940844858.db2.gz	XOCNDOKVWXYKQW-UHFFFAOYSA-N	1	0	360.458	1.373	20	30		FDEDRO
N#CC[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1	ZINC000809575384	940858513	/nfs/dbraw/zinc/85/85/13/940858513.db2.gz	AWALXSDHUJTTSJ-DGCLKSJQSA-N	1	0	367.247	1.769	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)cn1	ZINC001086676045	940923996	/nfs/dbraw/zinc/92/39/96/940923996.db2.gz	PKYAUNWTJYUZBW-DZGCQCFKSA-N	1	0	353.426	1.978	20	30		FDEDRO
C#CC[NH+]1CCC(c2nc(-c3cnc(OCCCOC)cn3)no2)CC1	ZINC000810331878	940974051	/nfs/dbraw/zinc/97/40/51/940974051.db2.gz	VQPHMCVYNYFBJI-UHFFFAOYSA-N	1	0	357.414	1.755	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)O[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000810837624	941066789	/nfs/dbraw/zinc/06/67/89/941066789.db2.gz	JYIYAJZWUFZWIR-HOTGVXAUSA-N	1	0	364.467	1.935	20	30		FDEDRO
CCn1ncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)n1	ZINC001086690272	941099267	/nfs/dbraw/zinc/09/92/67/941099267.db2.gz	CILKENRRARHFPN-XJKSGUPXSA-N	1	0	370.432	1.997	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCCC2)C1	ZINC001086699040	941170151	/nfs/dbraw/zinc/17/01/51/941170151.db2.gz	PKVQVYPKTQAZRG-MLHJIOFPSA-N	1	0	363.502	1.465	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)n1cnc(C#N)n1	ZINC001133236412	941194048	/nfs/dbraw/zinc/19/40/48/941194048.db2.gz	JIIVBLWICKOKCP-VPWXQRGCSA-N	1	0	364.453	1.691	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c1	ZINC000812335673	941195692	/nfs/dbraw/zinc/19/56/92/941195692.db2.gz	UNOHFKGKWGXCTE-CVEARBPZSA-N	1	0	363.483	1.175	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(=O)NCCCOC2CCCCC2)CC1	ZINC000747816837	941271689	/nfs/dbraw/zinc/27/16/89/941271689.db2.gz	YKDZKIQLRFIJNO-UHFFFAOYSA-N	1	0	363.502	1.303	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CCC(=O)NCc2ccccc2Cl)CC1	ZINC000747818643	941273042	/nfs/dbraw/zinc/27/30/42/941273042.db2.gz	XTUAYQVFDBUTSD-UHFFFAOYSA-N	1	0	361.873	1.808	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)NCc2ccccc2Cl)CC1	ZINC000747820475	941275001	/nfs/dbraw/zinc/27/50/01/941275001.db2.gz	YLSKRTOETCYXOY-AWEZNQCLSA-N	1	0	361.873	1.806	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)NCc2ccc(Cl)cc2)CC1	ZINC000747820430	941275018	/nfs/dbraw/zinc/27/50/18/941275018.db2.gz	VSRIMWAKCCZVRZ-CQSZACIVSA-N	1	0	361.873	1.806	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1	ZINC000747824365	941280025	/nfs/dbraw/zinc/28/00/25/941280025.db2.gz	MUSOBQCIPMJPDG-UHFFFAOYSA-N	1	0	372.425	1.693	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ncsc2NC(=O)OCC)CC1	ZINC000813458966	941387692	/nfs/dbraw/zinc/38/76/92/941387692.db2.gz	KVYOAMSFFUJHLU-UHFFFAOYSA-N	1	0	350.444	1.929	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1F	ZINC000813667380	941436235	/nfs/dbraw/zinc/43/62/35/941436235.db2.gz	UYBIZRUQUKYTIF-OAHLLOKOSA-N	1	0	367.446	1.619	20	30		FDEDRO
Cn1cncc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1Cl	ZINC001134043083	941533366	/nfs/dbraw/zinc/53/33/66/941533366.db2.gz	RZQABKHZIMMMGI-HZPDHXFCSA-N	1	0	356.857	1.935	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1c(C)cccc1CC	ZINC001134062120	941540821	/nfs/dbraw/zinc/54/08/21/941540821.db2.gz	SJYGDWRJGJVBNX-SJORKVTESA-N	1	0	359.470	1.793	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccnc(OC)c2)C1	ZINC001086720620	941625332	/nfs/dbraw/zinc/62/53/32/941625332.db2.gz	GFKAFCJOAJQUJS-UHOSZYNNSA-N	1	0	370.497	1.562	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1	ZINC000747977220	941722409	/nfs/dbraw/zinc/72/24/09/941722409.db2.gz	RIAUCNXVZVGZQE-KRWDZBQOSA-N	1	0	372.469	1.588	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cn[nH]c(=O)c2)C1	ZINC001086725265	941725366	/nfs/dbraw/zinc/72/53/66/941725366.db2.gz	RIKVVBNUCMELNQ-SUMWQHHRSA-N	1	0	351.410	1.742	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1	ZINC000815082342	941776974	/nfs/dbraw/zinc/77/69/74/941776974.db2.gz	LSMWLIGSFKHGPO-UHFFFAOYSA-N	1	0	358.847	1.360	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@@H](C)C2CCN(CC(F)(F)F)CC2)CC1	ZINC000815109878	941785873	/nfs/dbraw/zinc/78/58/73/941785873.db2.gz	APHKVOHMNGADGZ-HNNXBMFYSA-N	1	0	374.451	1.016	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)Cc1ccc(F)cc1	ZINC001135064758	941881696	/nfs/dbraw/zinc/88/16/96/941881696.db2.gz	LHLQVIZKMQOAKO-QYZOEREBSA-N	1	0	364.461	1.806	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)c1ccccc1F	ZINC001135067920	941883969	/nfs/dbraw/zinc/88/39/69/941883969.db2.gz	RQSCIJGTQRFOEX-SZMVWBNQSA-N	1	0	350.434	1.936	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)COCc1ccccc1	ZINC001135145896	941930161	/nfs/dbraw/zinc/93/01/61/941930161.db2.gz	XIJNXFQFPIJVRW-QYZOEREBSA-N	1	0	362.470	1.251	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1cc(F)cc(F)c1	ZINC001135147436	941942162	/nfs/dbraw/zinc/94/21/62/941942162.db2.gz	GTGNREJXCOSMJH-RDJZCZTQSA-N	1	0	367.396	1.590	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc1	ZINC000815733882	941956847	/nfs/dbraw/zinc/95/68/47/941956847.db2.gz	HXUYTDQROJBVMA-INIZCTEOSA-N	1	0	369.465	1.970	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2	ZINC000815831147	941981591	/nfs/dbraw/zinc/98/15/91/941981591.db2.gz	ZVZOYJWATCQZIE-FQEVSTJZSA-N	1	0	355.438	1.581	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccnc(OCC(F)(F)F)c1	ZINC000815861655	941996878	/nfs/dbraw/zinc/99/68/78/941996878.db2.gz	SNADBFWVEKYRLR-UHFFFAOYSA-N	1	0	372.347	1.033	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1nn(-c2ccccc2)cc1C	ZINC000815861366	941997666	/nfs/dbraw/zinc/99/76/66/941997666.db2.gz	FFGUUBXOTQTODJ-UHFFFAOYSA-N	1	0	353.426	1.191	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccc2c(c1)NC(=O)CNC2=O	ZINC000815986320	942033540	/nfs/dbraw/zinc/03/35/40/942033540.db2.gz	QWUWMAIRGSYGEM-ZDUSSCGKSA-N	1	0	357.410	1.259	20	30		FDEDRO
N#CCOc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cn[nH]n3)C2)cc1	ZINC001086740697	942181398	/nfs/dbraw/zinc/18/13/98/942181398.db2.gz	LUYQNEKAMORDSC-LSDHHAIUSA-N	1	0	354.414	1.395	20	30		FDEDRO
C#CCSCC[NH2+]C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1	ZINC000816552402	942246826	/nfs/dbraw/zinc/24/68/26/942246826.db2.gz	LENCZYFOGJQJIZ-HNNXBMFYSA-N	1	0	369.531	1.706	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(C(N)=O)o2)C1	ZINC001086752266	942283014	/nfs/dbraw/zinc/28/30/14/942283014.db2.gz	DEUNPUKJXBABKL-XJKSGUPXSA-N	1	0	366.421	1.938	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCNC(=O)CC3)C2)cc1	ZINC001086767342	942441434	/nfs/dbraw/zinc/44/14/34/942441434.db2.gz	IIOOTPYHTDIASI-GBESFXJTSA-N	1	0	368.481	1.849	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCOCCOC	ZINC001170851850	942454199	/nfs/dbraw/zinc/45/41/99/942454199.db2.gz	BNFPAVCWDBEPKG-KSZLIROESA-N	1	0	356.507	1.895	20	30		FDEDRO
Cn1c(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)c[nH]c1=O	ZINC001086777086	942475641	/nfs/dbraw/zinc/47/56/41/942475641.db2.gz	AVBAKAQRHJTNHP-SWLSCSKDSA-N	1	0	371.416	1.825	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3csc(=O)[nH]3)C2)C1=O	ZINC001086782466	942487662	/nfs/dbraw/zinc/48/76/62/942487662.db2.gz	BFBGIEPTIMYFDB-XQQFMLRXSA-N	1	0	364.471	1.124	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3C(C)C)C2)c1	ZINC001086798263	942617732	/nfs/dbraw/zinc/61/77/32/942617732.db2.gz	FBVMFXIJLRLPIM-DOTOQJQBSA-N	1	0	367.457	1.319	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H]3CCN(CC)C3=O)C2)c1	ZINC001086799015	942625862	/nfs/dbraw/zinc/62/58/62/942625862.db2.gz	TWAAKLHHAYZXHP-JQHSSLGASA-N	1	0	354.454	1.172	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@@H]3CCc4ncnn43)C2)c1	ZINC001086799126	942629230	/nfs/dbraw/zinc/62/92/30/942629230.db2.gz	YZQXTVNIOKNFKK-JQHSSLGASA-N	1	0	364.453	1.330	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccnc(OC)n3)C2)c1	ZINC001086798511	942635046	/nfs/dbraw/zinc/63/50/46/942635046.db2.gz	REKMMWQVPRSYPR-DOTOQJQBSA-N	1	0	365.437	1.550	20	30		FDEDRO
CC(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NCC#N	ZINC001170870155	942798416	/nfs/dbraw/zinc/79/84/16/942798416.db2.gz	DXAYQKNVONKJOO-BQFCYCMXSA-N	1	0	366.506	1.342	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2c(C)nnn2CC)C1	ZINC001086806163	942802111	/nfs/dbraw/zinc/80/21/11/942802111.db2.gz	FDIFANDGMVWMBV-LHHMISFZSA-N	1	0	361.490	1.572	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnc(C)n2CC)C1	ZINC001086806541	942805760	/nfs/dbraw/zinc/80/57/60/942805760.db2.gz	ZQPKHXWHTIIAKM-HZMVEIRTSA-N	1	0	361.490	1.572	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCc2cnn(CC)c2)C1	ZINC001086806894	942814380	/nfs/dbraw/zinc/81/43/80/942814380.db2.gz	UYOPVOAKWWAYPH-AITUJVMLSA-N	1	0	360.502	1.911	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1	ZINC000817786273	942977126	/nfs/dbraw/zinc/97/71/26/942977126.db2.gz	VEWIFLCMZZPMGM-HOTGVXAUSA-N	1	0	351.491	1.951	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)c1	ZINC000817843138	943006199	/nfs/dbraw/zinc/00/61/99/943006199.db2.gz	QFPIQUXSWBNSKD-UHFFFAOYSA-N	1	0	353.466	1.761	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1	ZINC000817843927	943007484	/nfs/dbraw/zinc/00/74/84/943007484.db2.gz	LRMPCSNEZNTGKQ-UYAOXDASSA-N	1	0	365.477	1.759	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CC[C@H](OCC[NH+](CC)CC)C2)c1	ZINC000817846470	943008638	/nfs/dbraw/zinc/00/86/38/943008638.db2.gz	SMCZORGDQQMLNP-IBGZPJMESA-N	1	0	371.481	1.243	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1cc2c([nH]1)c(OC)c(OC)cc2OC	ZINC000818615115	943303809	/nfs/dbraw/zinc/30/38/09/943303809.db2.gz	AYGQVZIUVNIULG-UHFFFAOYSA-N	1	0	359.426	1.879	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H]3CCNC3=O)C2)cc1	ZINC001086822098	943324740	/nfs/dbraw/zinc/32/47/40/943324740.db2.gz	PQQFHKBIJNMUBB-YXJHDRRASA-N	1	0	355.438	1.075	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CCCNC(=O)c1ccc(F)cc1F	ZINC000818595946	943326748	/nfs/dbraw/zinc/32/67/48/943326748.db2.gz	VJXRBKKSSPITKL-UHFFFAOYSA-N	1	0	351.397	1.546	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1	ZINC000818595787	943327070	/nfs/dbraw/zinc/32/70/70/943327070.db2.gz	NVFGUGKTBKTLHC-UHFFFAOYSA-N	1	0	363.483	1.060	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)CN(C)C(=O)c1ccc(Br)o1	ZINC000818608968	943331193	/nfs/dbraw/zinc/33/11/93/943331193.db2.gz	BSOGPIIOSVLTBF-UHFFFAOYSA-N	1	0	370.247	1.185	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccnc(OC)c3)C2)nn1	ZINC001086823035	943384080	/nfs/dbraw/zinc/38/40/80/943384080.db2.gz	JPZLSTCDDFVAOY-GOEBONIOSA-N	1	0	370.457	1.556	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cncc(F)c3)C2)nn1	ZINC001086823147	943384494	/nfs/dbraw/zinc/38/44/94/943384494.db2.gz	PBKSHKOUGLMCEZ-XJKSGUPXSA-N	1	0	358.421	1.687	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCC[C@@](O)(C[NH2+]C2CCN(CC#N)CC2)CC1	ZINC000819035827	943409582	/nfs/dbraw/zinc/40/95/82/943409582.db2.gz	XKGSVPDUQCSWLK-IBGZPJMESA-N	1	0	366.506	1.716	20	30		FDEDRO
C[C@@H](CN1CCN(c2ccccn2)CC1)[NH2+]C[C@H](O)c1ccc(C#N)cc1	ZINC000819080172	943411941	/nfs/dbraw/zinc/41/19/41/943411941.db2.gz	DLMSNITUPXYQBO-PXNSSMCTSA-N	1	0	365.481	1.787	20	30		FDEDRO
COc1ccccc1N1CC[C@H]([NH2+]C[C@@H](O)c2ccc(C#N)cc2)C1=O	ZINC000819152356	943443051	/nfs/dbraw/zinc/44/30/51/943443051.db2.gz	RPOZZMKVCVGSTC-FUHWJXTLSA-N	1	0	351.406	1.995	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1	ZINC000819246174	943481533	/nfs/dbraw/zinc/48/15/33/943481533.db2.gz	DNAFNGCYNBJUNE-JKSUJKDBSA-N	1	0	354.495	1.572	20	30		FDEDRO
CCS(=O)(=O)N1CCC(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1	ZINC000819226483	943497993	/nfs/dbraw/zinc/49/79/93/943497993.db2.gz	RGXVWZGVTLQCJZ-KRWDZBQOSA-N	1	0	351.472	1.243	20	30		FDEDRO
COc1ccc(C2=NO[C@@H](C[NH2+]C[C@H](O)CN(C)CCC#N)C2)cc1C	ZINC000819293189	943505897	/nfs/dbraw/zinc/50/58/97/943505897.db2.gz	PTYZVQHLJLKFSH-DLBZAZTESA-N	1	0	360.458	1.293	20	30		FDEDRO
COc1ccc(C2=NO[C@H](C[NH2+]C[C@H](O)CN(C)CCC#N)C2)cc1F	ZINC000819294548	943507235	/nfs/dbraw/zinc/50/72/35/943507235.db2.gz	ZJQPNYYHSBBAAV-GJZGRUSLSA-N	1	0	364.421	1.123	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C	ZINC000819326977	943527903	/nfs/dbraw/zinc/52/79/03/943527903.db2.gz	YJBVJGCDCNYBFC-SOUVJXGZSA-N	1	0	358.458	1.130	20	30		FDEDRO
COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@@H]3CC[C@H](C#N)C3)CC2)cc1	ZINC000819383457	943566673	/nfs/dbraw/zinc/56/66/73/943566673.db2.gz	LMKBWMOJJZVGBC-YQVWRLOYSA-N	1	0	358.486	1.460	20	30		FDEDRO
C=CCn1cc(CNC(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)nn1	ZINC000819606812	943658922	/nfs/dbraw/zinc/65/89/22/943658922.db2.gz	UFWUEFRZBKPJPN-JXMROGBWSA-N	1	0	355.442	1.734	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)CC1	ZINC000819641955	943685652	/nfs/dbraw/zinc/68/56/52/943685652.db2.gz	IYBAHQXENNDNBB-IYBDPMFKSA-N	1	0	362.376	1.661	20	30		FDEDRO
CC[C@@H](C(=O)N[C@@H]1CN(c2cc(C)ncc2C#N)C[C@H]1O)[NH+](CC)CC	ZINC001090530227	943837504	/nfs/dbraw/zinc/83/75/04/943837504.db2.gz	MGEWQPORZHVYDM-SOLBZPMBSA-N	1	0	359.474	1.048	20	30		FDEDRO
CON=C(C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1csc(N)n1	ZINC000820158751	943919214	/nfs/dbraw/zinc/91/92/14/943919214.db2.gz	OSUBVWCHICHLBY-GFCCVEGCSA-N	1	0	351.476	1.553	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2[C@@H]2CCCO2)C1	ZINC001195573550	971043797	/nfs/dbraw/zinc/04/37/97/971043797.db2.gz	QBLMMYQPPCWRQZ-ZACQAIPSSA-N	1	0	362.474	1.783	20	30		FDEDRO
C#C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)c1ccccc1	ZINC000820600185	944139317	/nfs/dbraw/zinc/13/93/17/944139317.db2.gz	UCDSYITXTCZUFC-ZWKOTPCHSA-N	1	0	354.454	1.309	20	30		FDEDRO
C#CCN1C(=O)C[C@H]([NH+]2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)C1=O	ZINC000821771893	944658415	/nfs/dbraw/zinc/65/84/15/944658415.db2.gz	SFRWWHLOQQDBAC-HIFRSBDPSA-N	1	0	363.458	1.372	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@H](NC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)[C@@H](C#N)C1	ZINC000821919239	944759440	/nfs/dbraw/zinc/75/94/40/944759440.db2.gz	AIKWGUCZBMIDHI-BPUTZDHNSA-N	1	0	362.474	1.879	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N(CC)CCC[NH+](C)C)s1	ZINC000822339435	944965338	/nfs/dbraw/zinc/96/53/38/944965338.db2.gz	DMRYLAUTVIEQHE-UHFFFAOYSA-N	1	0	373.544	1.555	20	30		FDEDRO
COC(=O)c1ccc(C(=N)Nc2ccc3nc([C@@H]4CC[NH2+]C4)nn3c2)cc1	ZINC001170989446	945041520	/nfs/dbraw/zinc/04/15/20/945041520.db2.gz	WJRBRCQMYUUAIT-CQSZACIVSA-N	1	0	364.409	1.630	20	30		FDEDRO
C#C[C@H](NC(=O)N1CCC(OCCC[NH+](C)C)CC1)C1CCOCC1	ZINC000823177868	945521213	/nfs/dbraw/zinc/52/12/13/945521213.db2.gz	JWSLUUHSVUFCRG-SFHVURJKSA-N	1	0	351.491	1.557	20	30		FDEDRO
O=C(N[C@@H]1CCCN(O)C1=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2	ZINC000823160644	945542524	/nfs/dbraw/zinc/54/25/24/945542524.db2.gz	JCEOYIQYUHYBDY-HLIPFELVSA-N	1	0	373.453	1.022	20	30		FDEDRO
C#CCCOc1ccc(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1	ZINC000823222617	945577475	/nfs/dbraw/zinc/57/74/75/945577475.db2.gz	NKGJFBDHSVQULK-UHFFFAOYSA-N	1	0	371.481	1.761	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccc(F)cc2)C[C@H]1O	ZINC001195732660	971159783	/nfs/dbraw/zinc/15/97/83/971159783.db2.gz	FIBUVNCRZAAWGS-KZNAEPCWSA-N	1	0	350.434	1.247	20	30		FDEDRO
C[NH+](C)CCCC(=O)N[C@@H]1CN(CC#Cc2ccccc2Cl)C[C@H]1O	ZINC001195700327	971167898	/nfs/dbraw/zinc/16/78/98/971167898.db2.gz	AIUGJSBNWVMJBS-QZTJIDSGSA-N	1	0	363.889	1.195	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21	ZINC000823535489	945807286	/nfs/dbraw/zinc/80/72/86/945807286.db2.gz	UUVGFDPSFQPAJL-PMPSAXMXSA-N	1	0	364.490	1.936	20	30		FDEDRO
CC[N@H+](C)Cc1cc(O[C@@H]2CCN([C@@H](C)C(=O)N(C)CCC#N)C2)ccn1	ZINC000856592104	971240316	/nfs/dbraw/zinc/24/03/16/971240316.db2.gz	FHSOCDHFUCIXMD-QFBILLFUSA-N	1	0	373.501	1.747	20	30		FDEDRO
C#CCCCCCC(=O)NC[C@H](C)N(C)c1cc[nH+]cc1-c1nn[nH]n1	ZINC001573282787	946696813	/nfs/dbraw/zinc/69/68/13/946696813.db2.gz	OBOVZVCZQNCAAT-AWEZNQCLSA-N	1	0	355.446	1.786	20	30		FDEDRO
C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1	ZINC001573282772	946698174	/nfs/dbraw/zinc/69/81/74/946698174.db2.gz	OAACBFARVJSEIS-GOSISDBHSA-N	1	0	353.430	1.146	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@H]([C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573284637	946752955	/nfs/dbraw/zinc/75/29/55/946752955.db2.gz	IHMFXBHUWMPEGT-KBPBESRZSA-N	1	0	353.430	1.136	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)c1	ZINC001573292044	946927030	/nfs/dbraw/zinc/92/70/30/946927030.db2.gz	NGQFYADFQARMBN-NSHDSACASA-N	1	0	367.438	1.213	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN([C@H](C)C(=O)NC(CC)CC)C[C@H]2O)CC1	ZINC001195876591	971300010	/nfs/dbraw/zinc/30/00/10/971300010.db2.gz	PIFPHKQMZAFSSE-ZTFGCOKTSA-N	1	0	365.518	1.587	20	30		FDEDRO
C=C(C)C[NH+]1CCC(C2(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)CC1	ZINC001573293620	946963558	/nfs/dbraw/zinc/96/35/58/946963558.db2.gz	DHLDIIPOQBRFFN-UHFFFAOYSA-N	1	0	355.446	1.745	20	30		FDEDRO
C=C(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1	ZINC001573294168	946979214	/nfs/dbraw/zinc/97/92/14/946979214.db2.gz	XCTFZJHXESEBMO-LBPRGKRZSA-N	1	0	365.388	1.458	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1	ZINC001573563847	946986278	/nfs/dbraw/zinc/98/62/78/946986278.db2.gz	CUESFGGCVOFPQZ-NEPJUHHUSA-N	1	0	373.486	1.805	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](C[C@H](O)COCC(C)C)CC1	ZINC001195886214	971307452	/nfs/dbraw/zinc/30/74/52/971307452.db2.gz	STQCKOGIBQCQNB-OTWHNJEPSA-N	1	0	368.518	1.535	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC2(C1)CC[NH+](Cc1ccccc1-c1nn[nH]n1)CC2	ZINC001573564607	946995386	/nfs/dbraw/zinc/99/53/86/946995386.db2.gz	JRHUDTVNVCEXGZ-CQSZACIVSA-N	1	0	365.441	1.451	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1	ZINC001573294751	946996594	/nfs/dbraw/zinc/99/65/94/946996594.db2.gz	GIJUHQVOVDEURJ-NSHDSACASA-N	1	0	363.853	1.778	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2	ZINC001573564814	946997814	/nfs/dbraw/zinc/99/78/14/946997814.db2.gz	LHRFJFWGDJLUMV-ZDUSSCGKSA-N	1	0	351.414	1.061	20	30		FDEDRO
C=C(Cl)C[NH2+]C1(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCCCC1	ZINC001573295062	947004568	/nfs/dbraw/zinc/00/45/68/947004568.db2.gz	LOHZTMBWFNKWBG-UHFFFAOYSA-N	1	0	363.853	1.970	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573567390	947044802	/nfs/dbraw/zinc/04/48/02/947044802.db2.gz	MKCURQPDALHTBE-SMDDNHRTSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1	ZINC001573568127	947066994	/nfs/dbraw/zinc/06/69/94/947066994.db2.gz	YAURYGOCODSJHN-DGCLKSJQSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573568143	947069005	/nfs/dbraw/zinc/06/90/05/947069005.db2.gz	YHHSUXYDFWATAR-XYPHTWIQSA-N	1	0	365.441	1.592	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@](C)(C[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1	ZINC001573569531	947071491	/nfs/dbraw/zinc/07/14/91/947071491.db2.gz	AQASKDATWRGQKT-XIKOKIGWSA-N	1	0	353.430	1.401	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@](C)(C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1	ZINC001573569735	947075698	/nfs/dbraw/zinc/07/56/98/947075698.db2.gz	FCEOEBZFKLRKMD-ADLMAVQZSA-N	1	0	371.420	1.540	20	30		FDEDRO
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCN(c2ccc(C#N)cc2)CC1	ZINC000825199245	947077644	/nfs/dbraw/zinc/07/76/44/947077644.db2.gz	UWAADKJDPMLEHA-UHFFFAOYSA-N	1	0	356.470	1.565	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573298567	947077731	/nfs/dbraw/zinc/07/77/31/947077731.db2.gz	PSBXEPFGAAKMSF-YPMHNXCESA-N	1	0	363.853	1.826	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573299308	947091885	/nfs/dbraw/zinc/09/18/85/947091885.db2.gz	SFIPRZBXOCFZAQ-YGRLFVJLSA-N	1	0	363.853	1.778	20	30		FDEDRO
C[C@H](C#N)C(=O)NC1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1	ZINC001573572006	947106204	/nfs/dbraw/zinc/10/62/04/947106204.db2.gz	CTVZFIVNIZHVRD-LLVKDONJSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)CC2	ZINC001573572056	947109021	/nfs/dbraw/zinc/10/90/21/947109021.db2.gz	DKILRJNERJCRGF-NRXGSXMXSA-N	1	0	365.441	1.640	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CCCC1	ZINC001573572268	947111518	/nfs/dbraw/zinc/11/15/18/947111518.db2.gz	GMSLZTHQGKYESQ-DYVFJYSZSA-N	1	0	367.457	1.791	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@]1(C)CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573573819	947126601	/nfs/dbraw/zinc/12/66/01/947126601.db2.gz	PNSPNZJYUDGIKM-GTNSWQLSSA-N	1	0	357.393	1.246	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1	ZINC001573304890	947145049	/nfs/dbraw/zinc/14/50/49/947145049.db2.gz	IUGVAFKBOWELKA-ZIAGYGMSSA-N	1	0	369.473	1.901	20	30		FDEDRO
CC(C)[C@H](CNC(=O)[C@H](C)C#N)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F	ZINC001573576306	947152070	/nfs/dbraw/zinc/15/20/70/947152070.db2.gz	GUFCHFNWUDTONH-ABAIWWIYSA-N	1	0	359.409	1.396	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1	ZINC001573305598	947156172	/nfs/dbraw/zinc/15/61/72/947156172.db2.gz	SBSFLWVYOBBQEO-HIFRSBDPSA-N	1	0	369.473	1.935	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21	ZINC001573305806	947160648	/nfs/dbraw/zinc/16/06/48/947160648.db2.gz	VWWZDCHZWDEHIH-FOLVSLTJSA-N	1	0	370.432	1.764	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1	ZINC001573582636	947193283	/nfs/dbraw/zinc/19/32/83/947193283.db2.gz	FRJKVYMTXOWEKW-LBPRGKRZSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573582710	947194021	/nfs/dbraw/zinc/19/40/21/947194021.db2.gz	GIFHMZZRXSQBRN-HIFRSBDPSA-N	1	0	353.430	1.355	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCCC1(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1	ZINC001573583086	947198738	/nfs/dbraw/zinc/19/87/38/947198738.db2.gz	IULUCMDZQDTMPA-NSHDSACASA-N	1	0	359.459	1.464	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573584166	947212825	/nfs/dbraw/zinc/21/28/25/947212825.db2.gz	QUHNZTNYKMWIEF-JSGCOSHPSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@H]1CCC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573584375	947220542	/nfs/dbraw/zinc/22/05/42/947220542.db2.gz	VATRTOLPZOKUMR-CHWSQXEVSA-N	1	0	371.420	1.494	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CC[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573310408	947223444	/nfs/dbraw/zinc/22/34/44/947223444.db2.gz	XQEIAAUJVIHHSJ-HNAYVOBHSA-N	1	0	370.457	1.132	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573584465	947223645	/nfs/dbraw/zinc/22/36/45/947223645.db2.gz	WKMFBIQBNXVRIB-DZGCQCFKSA-N	1	0	353.430	1.355	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2	ZINC001573587201	947302799	/nfs/dbraw/zinc/30/27/99/947302799.db2.gz	XSFSWYGMTSBSBI-AZOIQLNYSA-N	1	0	365.441	1.497	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(CC)n[nH]2)C[C@H]1c1ccc(OC)cc1	ZINC001090863688	947321179	/nfs/dbraw/zinc/32/11/79/947321179.db2.gz	RAVBXLAQWKOIOC-PKOBYXMFSA-N	1	0	352.438	1.812	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573336838	947511895	/nfs/dbraw/zinc/51/18/95/947511895.db2.gz	RUCZMTXRUASMCA-ZIAGYGMSSA-N	1	0	371.445	1.116	20	30		FDEDRO
C=CC[N@@H+](C)CCN(CC)C(=O)c1c[nH]c2cccc(-c3nn[nH]n3)c21	ZINC001573340932	947525755	/nfs/dbraw/zinc/52/57/55/947525755.db2.gz	DIAUFUIVZOIWIC-UHFFFAOYSA-N	1	0	353.430	1.928	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1c1ccc(OC)cc1	ZINC001090878095	947545871	/nfs/dbraw/zinc/54/58/71/947545871.db2.gz	HGPLVCDGWPTJRU-FUHWJXTLSA-N	1	0	368.437	1.552	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cn2nc(C)cc2C)C[C@H]1c1ccc(OC)cc1	ZINC001090876171	947554471	/nfs/dbraw/zinc/55/44/71/947554471.db2.gz	QLZQSNGPRRFLHO-VQTJNVASSA-N	1	0	366.465	1.726	20	30		FDEDRO
C=CCOCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573343553	947559287	/nfs/dbraw/zinc/55/92/87/947559287.db2.gz	QDHMOSDYIMAWCU-CTYIDZIISA-N	1	0	356.430	1.054	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1c1ccc(OC)cc1	ZINC001090879512	947575603	/nfs/dbraw/zinc/57/56/03/947575603.db2.gz	MVXTUOIHDKVVDZ-QKLQHJQFSA-N	1	0	357.454	1.434	20	30		FDEDRO
C=CCOCCCC(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573348331	947584933	/nfs/dbraw/zinc/58/49/33/947584933.db2.gz	PQOXCVZKWVJDLL-KRWDZBQOSA-N	1	0	370.457	1.540	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ncccc2F)C[C@H]1c1ccc(OC)cc1	ZINC001090878788	947616923	/nfs/dbraw/zinc/61/69/23/947616923.db2.gz	ZDOCNVPRLDEGTO-FXAWDEMLSA-N	1	0	367.424	1.989	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc(C)nc2C)C[C@H]1c1ccc(OC)cc1	ZINC001090883143	947623061	/nfs/dbraw/zinc/62/30/61/947623061.db2.gz	ZEQPWYNUBPHWHP-VQTJNVASSA-N	1	0	364.449	1.933	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2NCC#N)cc1	ZINC001090884340	947639998	/nfs/dbraw/zinc/63/99/98/947639998.db2.gz	LXWHFIRAZDAAOP-AYOQOUSVSA-N	1	0	356.470	1.445	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1	ZINC001573359071	947675981	/nfs/dbraw/zinc/67/59/81/947675981.db2.gz	VNHCBAFYRANVME-PBHICJAKSA-N	1	0	367.457	1.535	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cncn3)c2)C1	ZINC001196044718	971425980	/nfs/dbraw/zinc/42/59/80/971425980.db2.gz	BXKZOJGPZSZECH-BMGDILEWSA-N	1	0	355.442	1.397	20	30		FDEDRO
O=C(CCS)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O	ZINC001143986757	948072725	/nfs/dbraw/zinc/07/27/25/948072725.db2.gz	ZDBZJGJPGSLFJS-UHFFFAOYSA-N	1	0	355.485	1.152	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@]3(CC3(F)F)C2)CC1	ZINC000844438454	948088235	/nfs/dbraw/zinc/08/82/35/948088235.db2.gz	CULPEDFMZXKJCG-RDJZCZTQSA-N	1	0	354.445	1.800	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H](C(=O)OC)Oc3cc(F)ccc32)CC1	ZINC000844644817	948279613	/nfs/dbraw/zinc/27/96/13/948279613.db2.gz	NUGHMGADGWIZSK-QGZVFWFLSA-N	1	0	360.385	1.438	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@H]3OCC[C@@]3(C(=O)Nc3cccnc3)C2)nc1	ZINC001144157619	948301173	/nfs/dbraw/zinc/30/11/73/948301173.db2.gz	QJFSYDXRSKGULE-UYAOXDASSA-N	1	0	363.421	1.968	20	30		FDEDRO
Cn1ccc(CN2CCOCC23CC[NH+](Cc2ccc(C#N)cn2)CC3)n1	ZINC001144158327	948301564	/nfs/dbraw/zinc/30/15/64/948301564.db2.gz	BLJZCQBTGYUTAP-UHFFFAOYSA-N	1	0	366.469	1.554	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)nc1	ZINC001144158904	948302961	/nfs/dbraw/zinc/30/29/61/948302961.db2.gz	ULBIVARJPPGHQU-XLIONFOSSA-N	1	0	370.453	1.041	20	30		FDEDRO
CCN(CC)C(=O)CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000844926681	948510898	/nfs/dbraw/zinc/51/08/98/948510898.db2.gz	JMFLMMVWRGWCIY-UHFFFAOYSA-N	1	0	371.485	1.690	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NCC2CC([NH2+]Cc3ccc(C#N)cc3)C2)C1	ZINC001091033885	948556583	/nfs/dbraw/zinc/55/65/83/948556583.db2.gz	LGZFTNPRTNEUOP-HELAGCTPSA-N	1	0	354.454	1.457	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NCC2CC([NH2+]Cc3ccc(C#N)s3)C2)C1	ZINC001091034034	948556613	/nfs/dbraw/zinc/55/66/13/948556613.db2.gz	VQGPJWACMOGGTO-NEQJSVFRSA-N	1	0	360.483	1.519	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@H]3OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]3C2)n1	ZINC001091045231	948630615	/nfs/dbraw/zinc/63/06/15/948630615.db2.gz	CLXSSVHWOWRGIX-DLBZAZTESA-N	1	0	357.458	1.018	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N1CCO[C@@H]2CN(c3ccncc3C#N)C[C@@H]21	ZINC001091047426	948674767	/nfs/dbraw/zinc/67/47/67/948674767.db2.gz	CFFDXEMOHCUSRN-ZWKOTPCHSA-N	1	0	357.458	1.101	20	30		FDEDRO
CC[C@@H](C)C(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1	ZINC001110112399	948924703	/nfs/dbraw/zinc/92/47/03/948924703.db2.gz	ADBWJLYSLYOREI-OAOYMFHYSA-N	1	0	368.481	1.942	20	30		FDEDRO
CC(=O)N[C@@H](CS)C(=O)N(C)[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C	ZINC001144409722	948989607	/nfs/dbraw/zinc/98/96/07/948989607.db2.gz	VHQJMKUEBWYDGY-WBAXXEDZSA-N	1	0	363.527	1.790	20	30		FDEDRO
C[C@H](NC(=O)C#CC(C)(C)C)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001575248885	949085830	/nfs/dbraw/zinc/08/58/30/949085830.db2.gz	WZPPSBLFVOFQNQ-AWEZNQCLSA-N	1	0	366.469	1.853	20	30		FDEDRO
CC(C)(C)C#CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1	ZINC001573793743	949309439	/nfs/dbraw/zinc/30/94/39/949309439.db2.gz	XWAFCHCYZUEHLO-TXEJJXNPSA-N	1	0	358.471	1.715	20	30		FDEDRO
CS(=O)(=O)N(CC[NH3+])C(=O)c1cc(O)cc(-c2cccc(C#N)c2)c1	ZINC001196297137	971612841	/nfs/dbraw/zinc/61/28/41/971612841.db2.gz	IYZFGLVHCKDAAH-UHFFFAOYSA-N	1	0	359.407	1.291	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CS(=O)(=O)NC(C)(C)C)C2	ZINC001110113905	949903501	/nfs/dbraw/zinc/90/35/01/949903501.db2.gz	PMYCOYYLZMMCIB-WCVJEAGWSA-N	1	0	371.547	1.781	20	30		FDEDRO
C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1	ZINC001574982570	950170201	/nfs/dbraw/zinc/17/02/01/950170201.db2.gz	DOSHPDRTJJXWAZ-LBPRGKRZSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1cccc(C#N)c1	ZINC001574738857	950178266	/nfs/dbraw/zinc/17/82/66/950178266.db2.gz	IJAXREBTLUOGDE-LBPRGKRZSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1	ZINC001574995336	950505537	/nfs/dbraw/zinc/50/55/37/950505537.db2.gz	DWWJYUJUHUVSCZ-LBPRGKRZSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)CC[NH+]1CCCCC1	ZINC000846205982	950635195	/nfs/dbraw/zinc/63/51/95/950635195.db2.gz	MPNQOYPZAYJBKM-HNNXBMFYSA-N	1	0	358.442	1.860	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001570983126	950666155	/nfs/dbraw/zinc/66/61/55/950666155.db2.gz	LKZJIGNEQMRKOQ-BXUZGUMPSA-N	1	0	357.393	1.198	20	30		FDEDRO
CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)C1	ZINC000846275688	950838070	/nfs/dbraw/zinc/83/80/70/950838070.db2.gz	TZXVBSSDQSITKU-MSOLQXFVSA-N	1	0	372.469	1.039	20	30		FDEDRO
C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)Cc1ccc(C#N)cc1	ZINC001575012556	950890951	/nfs/dbraw/zinc/89/09/51/950890951.db2.gz	ZPTCRFMTVJKMIO-LBPRGKRZSA-N	1	0	364.413	1.317	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nn(C)c(C)c2Cl)C1	ZINC001196473677	971701236	/nfs/dbraw/zinc/70/12/36/971701236.db2.gz	AEMUSRNFBIAQHY-ZIAGYGMSSA-N	1	0	354.882	1.903	20	30		FDEDRO
Cc1nc(N2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)ccc1C#N	ZINC001091215253	950978772	/nfs/dbraw/zinc/97/87/72/950978772.db2.gz	BCTIERPVCKSKTC-WMZOPIPTSA-N	1	0	371.485	1.267	20	30		FDEDRO
C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1	ZINC001575019311	951038017	/nfs/dbraw/zinc/03/80/17/951038017.db2.gz	SIPITKNZSFTSJQ-JTQLQIEISA-N	1	0	368.376	1.114	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ccnc(N(C)C)c2)C1	ZINC001091238817	951125911	/nfs/dbraw/zinc/12/59/11/951125911.db2.gz	HKPXZQPRRZVMOI-HIEASXQVSA-N	1	0	358.486	1.723	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)c[nH]1	ZINC001571004447	951146515	/nfs/dbraw/zinc/14/65/15/951146515.db2.gz	KJQJIIPKKVATOS-CQSZACIVSA-N	1	0	362.397	1.071	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)C2	ZINC001571005243	951170226	/nfs/dbraw/zinc/17/02/26/951170226.db2.gz	UIPBFWCGTHBEPV-TUAOUCFPSA-N	1	0	361.837	1.530	20	30		FDEDRO
N#Cc1ccnc(CN2CCC(c3nccc(N4CCOCC4)n3)CC2)c1	ZINC001196517446	971728515	/nfs/dbraw/zinc/72/85/15/971728515.db2.gz	CKINMKPTFMQVKC-UHFFFAOYSA-N	1	0	364.453	1.959	20	30		FDEDRO
CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(C#N)n1)[NH+](CC)CC	ZINC001091297355	951343768	/nfs/dbraw/zinc/34/37/68/951343768.db2.gz	YOXAABOXBOKDEY-BZUAXINKSA-N	1	0	358.490	1.730	20	30		FDEDRO
C#C[C@H](NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)c1ccc(Cl)cc1	ZINC000846717695	951479294	/nfs/dbraw/zinc/47/92/94/951479294.db2.gz	ORORYUHICFCYJO-INIZCTEOSA-N	1	0	362.861	1.430	20	30		FDEDRO
N#Cc1cccnc1C(=O)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1	ZINC001196551242	971770885	/nfs/dbraw/zinc/77/08/85/971770885.db2.gz	CRLKBCKHBFDBGC-IFXJQAMLSA-N	1	0	367.384	1.655	20	30		FDEDRO
N#Cc1cccnc1C(=O)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1	ZINC001196551246	971771186	/nfs/dbraw/zinc/77/11/86/971771186.db2.gz	CRLKBCKHBFDBGC-LIRRHRJNSA-N	1	0	367.384	1.655	20	30		FDEDRO
C[NH+](C)CCOCc1ncn2c1CN(C(=O)c1ncccc1C#N)CCC2	ZINC001196554802	971772128	/nfs/dbraw/zinc/77/21/28/971772128.db2.gz	MQXHFEPOURKTGM-UHFFFAOYSA-N	1	0	368.441	1.274	20	30		FDEDRO
C#C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccccc2CN2CCCC2=O)C1	ZINC000847022995	951776805	/nfs/dbraw/zinc/77/68/05/951776805.db2.gz	KJTITWFLEHHRGT-QGZVFWFLSA-N	1	0	353.466	1.770	20	30		FDEDRO
C#C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C1	ZINC000847033421	951782992	/nfs/dbraw/zinc/78/29/92/951782992.db2.gz	WWVNRQVBWURLDZ-UONOGXRCSA-N	1	0	357.410	1.840	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ccccc4)C[C@]3(C)C2)C1=O	ZINC001091443241	951806597	/nfs/dbraw/zinc/80/65/97/951806597.db2.gz	AWBZFBKFYRWCAN-OPYAIIAOSA-N	1	0	353.466	1.867	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cc(C)on4)C[C@]3(C)C2)C1=O	ZINC001091464083	951831102	/nfs/dbraw/zinc/83/11/02/951831102.db2.gz	UQTJUFZKSCNTHJ-ALKREAHSSA-N	1	0	358.442	1.164	20	30		FDEDRO
C[NH+](C)CCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1c1ccccc1	ZINC001091532471	951953658	/nfs/dbraw/zinc/95/36/58/951953658.db2.gz	XPHRNWKIWUIPIQ-FUHWJXTLSA-N	1	0	364.453	1.389	20	30		FDEDRO
Cc1nccnc1C[N@@H+]1C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@]2(C)C1	ZINC001091575353	952114977	/nfs/dbraw/zinc/11/49/77/952114977.db2.gz	ZMPQVTGPFOHQIW-BEFAXECRSA-N	1	0	350.426	1.579	20	30		FDEDRO
C[C@]12CN(C(=O)CCc3nnc[nH]3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001091579400	952127515	/nfs/dbraw/zinc/12/75/15/952127515.db2.gz	YHNBMCIGBPHNSU-XLIONFOSSA-N	1	0	364.453	1.589	20	30		FDEDRO
Cc1noc(CCC[N@@H+]2C[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@]3(C)C2)n1	ZINC001091605903	952236872	/nfs/dbraw/zinc/23/68/72/952236872.db2.gz	DDQWXDOXCLAVAP-KUHUBIRLSA-N	1	0	368.441	1.605	20	30		FDEDRO
COc1ncccc1C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@]2(C)C1	ZINC001091607112	952262865	/nfs/dbraw/zinc/26/28/65/952262865.db2.gz	RYQISLMQZHMCGO-QRWLVFNGSA-N	1	0	365.437	1.884	20	30		FDEDRO
CCn1nnc(C)c1C[N@@H+]1C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@]2(C)C1	ZINC001091612803	952286335	/nfs/dbraw/zinc/28/63/35/952286335.db2.gz	FISCULOWHGNXPF-BEFAXECRSA-N	1	0	367.457	1.400	20	30		FDEDRO
Cn1nncc1C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@@]2(C)C1	ZINC001091639589	952451982	/nfs/dbraw/zinc/45/19/82/952451982.db2.gz	KEGKVNBQVKYBMQ-BEFAXECRSA-N	1	0	368.416	1.420	20	30		FDEDRO
C[C@@H]1CCCN(C(=O)C[N@@H+]2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]3(C)C2)C1	ZINC001091659943	952520926	/nfs/dbraw/zinc/52/09/26/952520926.db2.gz	WOOQUUWFNNETDH-BLIXFSHQSA-N	1	0	357.498	1.439	20	30		FDEDRO
COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000772985913	952626328	/nfs/dbraw/zinc/62/63/28/952626328.db2.gz	UWULPTJOYOFPQP-OUIWWDRTSA-N	1	0	372.425	1.831	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN3C(=O)C(C)(C)C)C[C@]2(C)C1	ZINC001091692803	952646061	/nfs/dbraw/zinc/64/60/61/952646061.db2.gz	SOFQYGFCALALRV-LZJOCLMNSA-N	1	0	359.514	1.827	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COCCN1C(C)=O)C2	ZINC001110121314	952667288	/nfs/dbraw/zinc/66/72/88/952667288.db2.gz	TURYELLEZCKSDT-XWSJACJDSA-N	1	0	365.518	1.926	20	30		FDEDRO
C[C@]12CN(C(=O)Cn3nccn3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001091703706	952676153	/nfs/dbraw/zinc/67/61/53/952676153.db2.gz	NPIACMPTUDHJOO-MJGOQNOKSA-N	1	0	350.426	1.130	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H]2CN(C(=O)c3[nH]c(C)c(C(N)=O)c3CC)C[C@]2(C)C1	ZINC001091735772	952756193	/nfs/dbraw/zinc/75/61/93/952756193.db2.gz	XDIOQRQWTHMPED-VLIAUNLRSA-N	1	0	356.470	1.402	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N	ZINC001148731601	952781210	/nfs/dbraw/zinc/78/12/10/952781210.db2.gz	GKEZYBUYSXMEIG-UHFFFAOYSA-N	1	0	366.469	1.801	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCN3c3ncccn3)C[C@]2(C)C1	ZINC001091754913	952816894	/nfs/dbraw/zinc/81/68/94/952816894.db2.gz	AEPRLCGTAVDABA-UWVAXJGDSA-N	1	0	353.470	1.249	20	30		FDEDRO
COCC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)ccc2C#N)CC1	ZINC001196705135	971870739	/nfs/dbraw/zinc/87/07/39/971870739.db2.gz	BFWWSXGGGREPOK-UHFFFAOYSA-N	1	0	357.863	1.601	20	30		FDEDRO
C=C(Br)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1OCCO[C@H]1C	ZINC001171343802	952855859	/nfs/dbraw/zinc/85/58/59/952855859.db2.gz	XXKOPXXTKKAXGH-IHRRRGAJSA-N	1	0	363.296	1.964	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ncnn2C)C1	ZINC001086849575	952855966	/nfs/dbraw/zinc/85/59/66/952855966.db2.gz	QFOCCZDWKRLVBR-LSDHHAIUSA-N	1	0	370.457	1.463	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H](C)c3nnc(CC)[nH]3)C2)cn1	ZINC001086857531	952875266	/nfs/dbraw/zinc/87/52/66/952875266.db2.gz	HZLYWNVRWOQRIN-GRDNDAEWSA-N	1	0	366.469	1.993	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCC(=O)N3)C2)cc1F	ZINC001086856173	952902541	/nfs/dbraw/zinc/90/25/41/952902541.db2.gz	MLWFSCYURKZGIM-MJEQTWJJSA-N	1	0	358.417	1.350	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nccn3CC)C2)cn1	ZINC001086857309	952904419	/nfs/dbraw/zinc/90/44/19/952904419.db2.gz	WDVNVJHJWZTVPJ-MAUKXSAKSA-N	1	0	351.454	1.968	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cncc(F)c2)C1	ZINC001086971126	952973342	/nfs/dbraw/zinc/97/33/42/952973342.db2.gz	YRLRJKIFQOHFPJ-OAUYIBNBSA-N	1	0	356.405	1.198	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cncc(F)c2)C1	ZINC001086971125	952973400	/nfs/dbraw/zinc/97/34/00/952973400.db2.gz	YRLRJKIFQOHFPJ-AFAVFJNCSA-N	1	0	356.405	1.198	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2[NH2+]CC2CCOCC2)cn1	ZINC001086978947	952991815	/nfs/dbraw/zinc/99/18/15/952991815.db2.gz	ZZWSOTAPEITDRG-RBUKOAKNSA-N	1	0	356.470	1.144	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3nc(C)oc3c2)C[C@H]1c1cnn(C)c1	ZINC001086983536	952997220	/nfs/dbraw/zinc/99/72/20/952997220.db2.gz	VQBHZSIGXQFAGP-FUHWJXTLSA-N	1	0	363.421	1.701	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3nccn3C2)C[C@H]1c1cnn(C)c1	ZINC001086985090	953001715	/nfs/dbraw/zinc/00/17/15/953001715.db2.gz	TVTXGLNNKYEJHG-BPQIPLTHSA-N	1	0	368.485	1.339	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)C2CCOCC2)C[C@H]1c1cnn(C)c1	ZINC001086986670	953007346	/nfs/dbraw/zinc/00/73/46/953007346.db2.gz	BSDVMKGMFXIGEL-ZWKOTPCHSA-N	1	0	358.486	1.390	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3[nH]ccc3n2)C[C@H]1c1cnn(C)c1	ZINC001086987343	953009671	/nfs/dbraw/zinc/00/96/71/953009671.db2.gz	MXJOYCXLEYOLTI-KBXCAEBGSA-N	1	0	350.426	1.680	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2cccc(OC)c2)C[C@H]1c1cnn(C)c1	ZINC001086987517	953010062	/nfs/dbraw/zinc/01/00/62/953010062.db2.gz	WVMJAHDXERJGJI-VQTJNVASSA-N	1	0	366.465	1.579	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCc2ccnc(C)n2)C[C@H]1c1cnn(C)c1	ZINC001086989023	953013505	/nfs/dbraw/zinc/01/35/05/953013505.db2.gz	CTHSKDRZLWVCBU-ZWKOTPCHSA-N	1	0	354.458	1.221	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CCCO2)C[C@H]1c1cnn(C)c1	ZINC001086992936	953025111	/nfs/dbraw/zinc/02/51/11/953025111.db2.gz	YHWFNOYQSZUVSI-BBWFWOEESA-N	1	0	370.457	1.379	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(OC)cn2)C[C@H]1c1cnn(C)c1	ZINC001086993267	953026417	/nfs/dbraw/zinc/02/64/17/953026417.db2.gz	PJESYDIYHHMRQK-ZWKOTPCHSA-N	1	0	355.442	1.136	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)n(C(F)F)n2)C[C@H]1c1cnn(C)c1	ZINC001086981070	953031933	/nfs/dbraw/zinc/03/19/33/953031933.db2.gz	NDLAVNMOIWAMJR-DZGCQCFKSA-N	1	0	362.384	1.151	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3nc[nH]c32)C[C@H]1c1cnn(C)c1	ZINC001086995905	953035424	/nfs/dbraw/zinc/03/54/24/953035424.db2.gz	CINWORLHTNECLC-YQQAZPJKSA-N	1	0	354.458	1.333	20	30		FDEDRO
CCn1nccc1[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(OC)c(C#N)c1	ZINC000849366612	953060895	/nfs/dbraw/zinc/06/08/95/953060895.db2.gz	PSAXTBSCSRBQJO-HNAYVOBHSA-N	1	0	353.426	1.893	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cncn2C)C1	ZINC001086995023	953066644	/nfs/dbraw/zinc/06/66/44/953066644.db2.gz	IETHLTQBPIOUGD-NSHGMRRFSA-N	1	0	370.501	1.840	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H]2CCCO2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087022854	953071189	/nfs/dbraw/zinc/07/11/89/953071189.db2.gz	IUTOPZPMPXKABI-CEXWTWQISA-N	1	0	357.454	1.690	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2ccccn2)C[C@H]1c1cnn(C)c1	ZINC001087006027	953089583	/nfs/dbraw/zinc/08/95/83/953089583.db2.gz	FUHMFNFDYZVVCM-BHYGNILZSA-N	1	0	355.442	1.353	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2oc(CCC)nc2C)C[C@H]1c1cnn(C)c1	ZINC001087006244	953089893	/nfs/dbraw/zinc/08/98/93/953089893.db2.gz	QKQQQUJTBSMUCD-JKSUJKDBSA-N	1	0	355.442	1.500	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2)C[C@H]1c1cnn(C)c1	ZINC001087007997	953094481	/nfs/dbraw/zinc/09/44/81/953094481.db2.gz	HBOXGPWSKZAFEH-AYOQOUSVSA-N	1	0	352.438	1.405	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COc2ccc(C)cc2)C[C@H]1c1cnn(C)c1	ZINC001087008497	953095968	/nfs/dbraw/zinc/09/59/68/953095968.db2.gz	JFIJUZXWCMGVEJ-RBUKOAKNSA-N	1	0	352.438	1.325	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(COC)cc2)C[C@H]1c1cnn(C)c1	ZINC001087009225	953097392	/nfs/dbraw/zinc/09/73/92/953097392.db2.gz	WMYYFZBRJXLROO-RBUKOAKNSA-N	1	0	352.438	1.398	20	30		FDEDRO
C=C[C@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1)c1ccccc1	ZINC001087010634	953101749	/nfs/dbraw/zinc/10/17/49/953101749.db2.gz	JZZVLURFHPSYNS-GBESFXJTSA-N	1	0	354.454	1.266	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)n2nc(C)cc2C)C[C@H]1c1cnn(C)c1	ZINC001087011727	953104274	/nfs/dbraw/zinc/10/42/74/953104274.db2.gz	LZMYVFDFVJZMKT-RYQLBKOJSA-N	1	0	354.458	1.012	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)OC)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001087031538	953128205	/nfs/dbraw/zinc/12/82/05/953128205.db2.gz	FZUMUYSVRGHCSD-FDQGKXFDSA-N	1	0	363.433	1.685	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1ccc(OC)c(F)c1	ZINC001087035897	953146195	/nfs/dbraw/zinc/14/61/95/953146195.db2.gz	QLUZDBOXQGSOHK-JCKWVBRZSA-N	1	0	363.433	1.947	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1cn(C(C)C)nc1C	ZINC001087035870	953146289	/nfs/dbraw/zinc/14/62/89/953146289.db2.gz	PIHVSDIEROVPCX-ZTFGCOKTSA-N	1	0	361.490	1.885	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1cc(F)ccc1OC	ZINC001087034328	953171889	/nfs/dbraw/zinc/17/18/89/953171889.db2.gz	AKNGOIQDXKKOQA-DDUZABMNSA-N	1	0	363.433	1.947	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087053087	953184813	/nfs/dbraw/zinc/18/48/13/953184813.db2.gz	YMDBGSBYTZNQRO-IAGOWNOFSA-N	1	0	353.426	1.548	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1ocnc1C	ZINC001087046081	953193235	/nfs/dbraw/zinc/19/32/35/953193235.db2.gz	IZPXIQBFCORRED-CXAGYDPISA-N	1	0	357.414	1.450	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ccn(C)n3)[C@H](OCC)C2)cn1	ZINC001087097206	953284147	/nfs/dbraw/zinc/28/41/47/953284147.db2.gz	BHTKASQOUVEGGT-VQIMIIECSA-N	1	0	367.453	1.063	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cscn3)[C@H](OCC)C2)nc1	ZINC001087097250	953284391	/nfs/dbraw/zinc/28/43/91/953284391.db2.gz	DPYBAPDLXXOFFD-CRAIPNDOSA-N	1	0	370.478	1.786	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@@]3(C)C2)cc1	ZINC001091793920	953317945	/nfs/dbraw/zinc/31/79/45/953317945.db2.gz	RCFVABHLXQXMAR-NBQZKYEYSA-N	1	0	357.454	1.519	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H]2CN(C(=O)c3cn4c(n3)C[C@@H](OC)CC4)C[C@]2(C)C1	ZINC001091779857	953353849	/nfs/dbraw/zinc/35/38/49/953353849.db2.gz	MGUUMPFUCOLTQU-GUXCAODWSA-N	1	0	356.470	1.262	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCCC(C)C)C[C@H]1O	ZINC001196819628	971944048	/nfs/dbraw/zinc/94/40/48/971944048.db2.gz	LWASLDOCOITKOJ-MLHJIOFPSA-N	1	0	354.491	1.192	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc(Cn4ccnn4)o3)C[C@]2(C)C1	ZINC001091876797	953646406	/nfs/dbraw/zinc/64/64/06/953646406.db2.gz	SRWYCEZPCWYXJC-BEFAXECRSA-N	1	0	353.426	1.337	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)CCOCCN(C)c2ncccc2C#N)CC[N@@H+]1C	ZINC001091907102	953684285	/nfs/dbraw/zinc/68/42/85/953684285.db2.gz	CKIKUISRDYJXAA-NVXWUHKLSA-N	1	0	359.474	1.205	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3CCNC3=O)C[C@H]1C[N@H+](CC#Cc1ccc(F)cc1)C2	ZINC001091910937	953698412	/nfs/dbraw/zinc/69/84/12/953698412.db2.gz	JXIUALRPQRNAIG-MMOPVJDHSA-N	1	0	369.440	1.094	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cnc4cc(C)nn4c3C)C[C@]2(C)C1	ZINC001091899336	953742732	/nfs/dbraw/zinc/74/27/32/953742732.db2.gz	QPPAVRVJZPJHMY-UZLBHIALSA-N	1	0	351.454	1.763	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ccn(C)c4C)C[C@]3(C)C2)C1=O	ZINC001091989334	953893138	/nfs/dbraw/zinc/89/31/38/953893138.db2.gz	RXXJZFQHEJUJOW-BLIXFSHQSA-N	1	0	370.497	1.514	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)CC2CCCC2)C1	ZINC001196924433	971972588	/nfs/dbraw/zinc/97/25/88/971972588.db2.gz	BASZHRZGSZDSJY-DJIMGWMZSA-N	1	0	351.491	1.199	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc(CCC(N)=O)cc3)C[C@]2(C)C1	ZINC001091998060	953918026	/nfs/dbraw/zinc/91/80/26/953918026.db2.gz	SVPXTBAQHCUOFX-NQIIRXRSSA-N	1	0	353.466	1.522	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@]2(C)C1	ZINC001092084271	954232853	/nfs/dbraw/zinc/23/28/53/954232853.db2.gz	MTMVODCWIYKONB-JMVFIXPQSA-N	1	0	363.502	1.226	20	30		FDEDRO
C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C[C@]2(C)C1	ZINC001092195758	954506687	/nfs/dbraw/zinc/50/66/87/954506687.db2.gz	ADNAPCQTPNOOPY-HWPZZCPQSA-N	1	0	368.821	1.043	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@H]2C[N@H+](CCn3cccn3)C[C@@]2(C)C1	ZINC001092229357	954570208	/nfs/dbraw/zinc/57/02/08/954570208.db2.gz	NVURUOHZIWQIKT-IRLDBZIGSA-N	1	0	362.477	1.887	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+](Cc4ocnc4C)C[C@@]3(C)C2)cn1	ZINC001092211877	954620350	/nfs/dbraw/zinc/62/03/50/954620350.db2.gz	RYASPPMCMLGZFC-UZLBHIALSA-N	1	0	350.422	1.953	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1C[C@H]2CN(c3ncc(C#N)cc3F)C[C@@]2(C)C1	ZINC001092297226	954733130	/nfs/dbraw/zinc/73/31/30/954733130.db2.gz	IPKNRMGHPIHDCV-HNAYVOBHSA-N	1	0	359.449	1.719	20	30		FDEDRO
Cc1cc(N2C[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@]3(C)C2)c(C#N)cn1	ZINC001092305413	954768960	/nfs/dbraw/zinc/76/89/60/954768960.db2.gz	PIJCGMFDYCSSMS-XLIONFOSSA-N	1	0	355.486	1.888	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2C[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@@]3(C)C2)cc1	ZINC001092308014	954777856	/nfs/dbraw/zinc/77/78/56/954777856.db2.gz	BXHHYZJSDHOFKJ-CEQIKUNHSA-N	1	0	371.481	1.448	20	30		FDEDRO
Cc1nonc1C(=O)N1C[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@]2(C)C1	ZINC001092320185	954833308	/nfs/dbraw/zinc/83/33/08/954833308.db2.gz	GWINUKSHMYDWPL-APWZRJJASA-N	1	0	351.410	1.844	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)COc3ccc(C(N)=O)cc3)C[C@]2(C)C1	ZINC001092286321	954865498	/nfs/dbraw/zinc/86/54/98/954865498.db2.gz	WOQQDBDHJDWIRO-UZLBHIALSA-N	1	0	357.454	1.521	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC2(C[NH+](CCC3CC3)C2)n2ccnc21	ZINC001092396618	955002858	/nfs/dbraw/zinc/00/28/58/955002858.db2.gz	JSUCQZIZOPPGPK-ZACQAIPSSA-N	1	0	356.470	1.846	20	30		FDEDRO
C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)c1nccn12	ZINC001092400337	955011699	/nfs/dbraw/zinc/01/16/99/955011699.db2.gz	LZXDFLHGSMGYKE-VQHPVUNQSA-N	1	0	356.470	1.989	20	30		FDEDRO
C[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1	ZINC001092434992	955089089	/nfs/dbraw/zinc/08/90/89/955089089.db2.gz	VZGNBAKOGZBHHT-UKRRQHHQSA-N	1	0	359.449	1.623	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)C1=COCCO1	ZINC001092436355	955092868	/nfs/dbraw/zinc/09/28/68/955092868.db2.gz	HJBGMRUAEKNHEX-NVXWUHKLSA-N	1	0	358.413	1.750	20	30		FDEDRO
CC[C@@H](C(=O)NC[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C)[NH+](CC)CC	ZINC001092442158	955107825	/nfs/dbraw/zinc/10/78/25/955107825.db2.gz	JYYHCRVEOFKEDV-INMHGKMJSA-N	1	0	358.490	1.657	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)C1=COCCO1	ZINC001092444579	955116137	/nfs/dbraw/zinc/11/61/37/955116137.db2.gz	RGMRZNSEZSYBGC-CZUORRHYSA-N	1	0	359.401	1.770	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CNC(=O)C[N@@H+]1CCC(C)(C)C1	ZINC001092446216	955122369	/nfs/dbraw/zinc/12/23/69/955122369.db2.gz	NNMKJMOYYJBGPK-HUUCEWRRSA-N	1	0	356.474	1.269	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(=O)[nH]n1	ZINC001092447187	955128113	/nfs/dbraw/zinc/12/81/13/955128113.db2.gz	LTTSWSYMXULEJL-NVXWUHKLSA-N	1	0	350.422	1.532	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)c1cnn(C)c1	ZINC001092454386	955161763	/nfs/dbraw/zinc/16/17/63/955161763.db2.gz	IDCMAIQUDABMEO-NVXWUHKLSA-N	1	0	367.453	1.820	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C	ZINC001092523437	955320577	/nfs/dbraw/zinc/32/05/77/955320577.db2.gz	JBYIBGLPSPHWCR-JFIYKMOQSA-N	1	0	370.501	1.801	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C	ZINC001092523887	955321728	/nfs/dbraw/zinc/32/17/28/955321728.db2.gz	PVUCAUJPKTWDLX-NUJGCVRESA-N	1	0	370.501	1.801	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C	ZINC001092524179	955323853	/nfs/dbraw/zinc/32/38/53/955323853.db2.gz	YJFHUIOUYUXULZ-ZACQAIPSSA-N	1	0	370.501	1.801	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H](CNC(=O)c3cn(C)cn3)[C@H](C)C2)cc1C#N	ZINC001092544964	955372672	/nfs/dbraw/zinc/37/26/72/955372672.db2.gz	AMBBBUYNAQNGAZ-RHSMWYFYSA-N	1	0	367.453	1.798	20	30		FDEDRO
C[C@@H]1CN(c2ccncc2C#N)C[C@H]1CCNC(=O)[C@H](C1CC1)[NH+](C)C	ZINC001092550277	955397053	/nfs/dbraw/zinc/39/70/53/955397053.db2.gz	RFEOTVHMNMSMFT-OGWOLHLISA-N	1	0	355.486	1.872	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1CCNC(=O)[C@H](C1CC1)[NH+](C)C	ZINC001092550045	955397625	/nfs/dbraw/zinc/39/76/25/955397625.db2.gz	GHWKWTVLOUYUDE-BJZITVGISA-N	1	0	355.486	1.872	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CCNC(=O)[C@@H](C1CC1)[NH+](C)C	ZINC001092550347	955397982	/nfs/dbraw/zinc/39/79/82/955397982.db2.gz	VPMASYWNIHYMOP-DDUZABMNSA-N	1	0	356.474	1.267	20	30		FDEDRO
C[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC001092551359	955402690	/nfs/dbraw/zinc/40/26/90/955402690.db2.gz	YOEKTGFIEMSYSY-CKEIUWERSA-N	1	0	371.485	1.583	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)c1cnn(C)c1N	ZINC001092557827	955440983	/nfs/dbraw/zinc/44/09/83/955440983.db2.gz	FRFSUORDMKSTHU-IUODEOHRSA-N	1	0	370.432	1.511	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CCNC(=O)C12CC[NH+](CC1)C2	ZINC001092531706	955492304	/nfs/dbraw/zinc/49/23/04/955492304.db2.gz	PIQFGRLXVDVIDT-HUUCEWRRSA-N	1	0	354.458	1.023	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)nn1	ZINC001092532164	955495624	/nfs/dbraw/zinc/49/56/24/955495624.db2.gz	OGBPZGMUKUXJCM-TZMCWYRMSA-N	1	0	354.414	1.183	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1	ZINC001092532931	955501215	/nfs/dbraw/zinc/50/12/15/955501215.db2.gz	XCFUVOBTRJFGGX-GDBMZVCRSA-N	1	0	356.474	1.269	20	30		FDEDRO
CCn1nncc1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1C	ZINC001092589487	955565478	/nfs/dbraw/zinc/56/54/78/955565478.db2.gz	UQXDMUQGYZLZII-CZUORRHYSA-N	1	0	370.432	1.807	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3ccncc3C)[C@H](C)C2)C1=O	ZINC001092596100	955594614	/nfs/dbraw/zinc/59/46/14/955594614.db2.gz	HHXHNODTBLECTQ-JFIYKMOQSA-N	1	0	356.470	1.475	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CCNC(=O)CC[C@H]1CCC[N@@H+]1C	ZINC001092598753	955607101	/nfs/dbraw/zinc/60/71/01/955607101.db2.gz	UZMVSNHGCPWHLO-JFIYKMOQSA-N	1	0	370.501	1.801	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CCNC(=O)CC[C@H]1CCC[N@@H+]1C	ZINC001092598825	955608416	/nfs/dbraw/zinc/60/84/16/955608416.db2.gz	ZAEKRUOXPJSZBJ-BRWVUGGUSA-N	1	0	370.501	1.801	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CCNC(=O)[C@H]1CCCC[N@@H+]1C	ZINC001092599853	955615111	/nfs/dbraw/zinc/61/51/11/955615111.db2.gz	YHGGPPVHODXVED-BFYDXBDKSA-N	1	0	356.474	1.411	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)NCC[C@@H]2CN(c3ccncc3C#N)C[C@H]2C)C1	ZINC001092584160	955731492	/nfs/dbraw/zinc/73/14/92/955731492.db2.gz	JRNLWETVBNLBSD-GVDBMIGSSA-N	1	0	355.486	1.874	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@H]1C[C@@H](C)CC(=O)N1	ZINC001092614516	955818826	/nfs/dbraw/zinc/81/88/26/955818826.db2.gz	GSYGZDQPWTZLEQ-OHDICMOHSA-N	1	0	368.481	1.657	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNc2cc(C)ncc2C#N)C1	ZINC001092619829	955847449	/nfs/dbraw/zinc/84/74/49/955847449.db2.gz	QLPBTZMPWLLCOE-NVXWUHKLSA-N	1	0	357.502	1.922	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](CNc2nccnc2C#N)[C@H](C)C1	ZINC001092662500	955939379	/nfs/dbraw/zinc/93/93/79/955939379.db2.gz	RNMKBCQIZXWJLN-RBSFLKMASA-N	1	0	362.453	1.535	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1C	ZINC001092678143	955997947	/nfs/dbraw/zinc/99/79/47/955997947.db2.gz	WLBHWVQTZURHKS-CRAIPNDOSA-N	1	0	370.501	1.880	20	30		FDEDRO
COCC#CCN1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1	ZINC001197209814	972151866	/nfs/dbraw/zinc/15/18/66/972151866.db2.gz	OQWMKRJLNSGDJO-RTWAWAEBSA-N	1	0	369.509	1.516	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)NC[C@]23CCC[C@H]2N(c2ccnc(C#N)n2)CC3)C1	ZINC001092702250	956098954	/nfs/dbraw/zinc/09/89/54/956098954.db2.gz	ZROZOFNQSFPFCU-JXXFODFXSA-N	1	0	368.485	1.555	20	30		FDEDRO
C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2cn3c(n2)C[C@H](OC)CC3)[C@H](C)C1	ZINC001092720511	956178611	/nfs/dbraw/zinc/17/86/11/956178611.db2.gz	MJEOONGVVOAKQE-BPLDGKMQSA-N	1	0	366.893	1.895	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)[C@H](C)C1	ZINC001092688000	956190050	/nfs/dbraw/zinc/19/00/50/956190050.db2.gz	XNMHHESYIGCBOW-RWQQGDIJSA-N	1	0	358.486	1.595	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ncccc2C)C[C@H]1C	ZINC001092689596	956196086	/nfs/dbraw/zinc/19/60/86/956196086.db2.gz	NQBOGXPCKVLHRM-GGPKGHCWSA-N	1	0	354.498	1.672	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@@H]1CCC(=O)NC1	ZINC001092761384	956299034	/nfs/dbraw/zinc/29/90/34/956299034.db2.gz	XZYPJCPBCBMYJH-ZTFGCOKTSA-N	1	0	354.454	1.269	20	30		FDEDRO
N#Cc1ccc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+]2CCCC2)C3)nn1	ZINC001092847527	956488416	/nfs/dbraw/zinc/48/84/16/956488416.db2.gz	SIUBDSMMIQTXPV-IKGGRYGDSA-N	1	0	354.458	1.450	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(=O)N(C)C(C)C)CC2)C1	ZINC001197319984	972193498	/nfs/dbraw/zinc/19/34/98/972193498.db2.gz	SIZQFIORSHJJGL-BZUAXINKSA-N	1	0	351.491	1.149	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CNC(=O)c2[nH]nnc2C)[C@H](C)C1	ZINC001092872877	956605994	/nfs/dbraw/zinc/60/59/94/956605994.db2.gz	GNRDKEGTCJMNBM-MLGOLLRUSA-N	1	0	368.441	1.491	20	30		FDEDRO
C[NH+](C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncc(C#N)cc1F)C1CC1	ZINC001092886324	956672259	/nfs/dbraw/zinc/67/22/59/956672259.db2.gz	HLFMPIXLTLTDHO-IWCQGFGOSA-N	1	0	357.433	1.658	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)c1coc(C(N)=O)c1	ZINC001092851086	956680187	/nfs/dbraw/zinc/68/01/87/956680187.db2.gz	PVEMSWPZELEJOF-CXAGYDPISA-N	1	0	366.421	1.748	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncc(C#N)cc1F)[NH+](C)C	ZINC001092862256	956725219	/nfs/dbraw/zinc/72/52/19/956725219.db2.gz	KDDAPZSQQXHWGI-IWCQGFGOSA-N	1	0	359.449	1.904	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C#N)nc(CC)n1	ZINC001092865686	956738670	/nfs/dbraw/zinc/73/86/70/956738670.db2.gz	XJUCHSUGEDTMPR-IKGGRYGDSA-N	1	0	370.501	1.868	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1	ZINC001092888139	956797105	/nfs/dbraw/zinc/79/71/05/956797105.db2.gz	PEKWIVCKZNEMDZ-UGUYLWEFSA-N	1	0	360.437	1.254	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1)[NH+]1CCCC1	ZINC001092981996	956986994	/nfs/dbraw/zinc/98/69/94/956986994.db2.gz	HQONVCUHPAJKAU-VXNCWWDNSA-N	1	0	368.485	1.695	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cncc(OC)n2)C[C@H]1C	ZINC001092981828	956987278	/nfs/dbraw/zinc/98/72/78/956987278.db2.gz	NSZSDUXXHXXORI-SRABZTEZSA-N	1	0	360.458	1.260	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc(OC)cc2F)C1	ZINC001197411584	972238141	/nfs/dbraw/zinc/23/81/41/972238141.db2.gz	CCZJHUMBPGGEMU-FSPWUOQZSA-N	1	0	350.434	1.893	20	30		FDEDRO
Cc1cc(C#N)nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCC[NH+](C)C)C3)n1	ZINC001092996024	957087139	/nfs/dbraw/zinc/08/71/39/957087139.db2.gz	OQTGWTAONOOFOA-ZACQAIPSSA-N	1	0	356.474	1.615	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ncccc2C#N)CC1	ZINC001093000617	957103297	/nfs/dbraw/zinc/10/32/97/957103297.db2.gz	HFFVDVJOQPHVOG-NXHRZFHOSA-N	1	0	369.469	1.290	20	30		FDEDRO
CCc1nc(C#N)cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[N@@H+](C)CC)C3)n1	ZINC001093006804	957120755	/nfs/dbraw/zinc/12/07/55/957120755.db2.gz	UYDSHNQLPGNBSF-OAGGEKHMSA-N	1	0	356.474	1.478	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1	ZINC001093019168	957146598	/nfs/dbraw/zinc/14/65/98/957146598.db2.gz	WQWNQWKVNDVFTM-FPCVCCKLSA-N	1	0	360.437	1.254	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)[C@H](C)C1	ZINC001093043993	957207846	/nfs/dbraw/zinc/20/78/46/957207846.db2.gz	SELORUIIMMXQCG-PHXBYCTMSA-N	1	0	368.481	1.308	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@H+](CCc3cnn(CC)c3)C[C@H]2C)nn1	ZINC001093034713	957251426	/nfs/dbraw/zinc/25/14/26/957251426.db2.gz	BMGDZHZSUVGIJM-NVXWUHKLSA-N	1	0	371.489	1.221	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3cc(C)ncn3)C[C@H]2C)nn1	ZINC001093040257	957264109	/nfs/dbraw/zinc/26/41/09/957264109.db2.gz	LUSSETAQWQRLGC-GDBMZVCRSA-N	1	0	369.473	1.451	20	30		FDEDRO
Cc1cc(C#N)nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@@H+](C)C2CCC2)C3)n1	ZINC001093057954	957279664	/nfs/dbraw/zinc/27/96/64/957279664.db2.gz	NYXRLOHRGAJXQZ-ZACQAIPSSA-N	1	0	354.458	1.367	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)c1ccncn1	ZINC001093066784	957312000	/nfs/dbraw/zinc/31/20/00/957312000.db2.gz	KUVSJDQKBIDDQT-CZUORRHYSA-N	1	0	353.401	1.985	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H](CNC(=O)c3ccncn3)[C@H](C)C2)cc1C#N	ZINC001093067277	957314152	/nfs/dbraw/zinc/31/41/52/957314152.db2.gz	UUYVNYVKNHBUPY-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)c1cc(C(N)=O)c[nH]1	ZINC001093084386	957364390	/nfs/dbraw/zinc/36/43/90/957364390.db2.gz	HOVHVPYRSLOTLM-DGCLKSJQSA-N	1	0	371.466	1.545	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N[C@]12CCC[C@H]1CN(c1cncc(C#N)n1)C2	ZINC001093108780	957418799	/nfs/dbraw/zinc/41/87/99/957418799.db2.gz	YLTXXOBSSXVMJI-KNBMTAEXSA-N	1	0	368.485	1.698	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)c2cn(C[C@H]3CCOC3)nn2)[C@H](C)C1	ZINC001093089403	957516041	/nfs/dbraw/zinc/51/60/41/957516041.db2.gz	MMMIIBLVMMYSTQ-BRWVUGGUSA-N	1	0	361.490	1.579	20	30		FDEDRO
C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1CN(c1ncccc1C#N)C2	ZINC001093092067	957540600	/nfs/dbraw/zinc/54/06/00/957540600.db2.gz	BMNXHLDHKFDWIF-LPHOPBHVSA-N	1	0	357.458	1.007	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2cn(C3CCOCC3)nn2)[C@H](C)C1	ZINC001093116304	957561854	/nfs/dbraw/zinc/56/18/54/957561854.db2.gz	PVRBOPNYXFLKRS-TZMCWYRMSA-N	1	0	367.881	1.680	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)c2cn(C3CCOCC3)nn2)[C@H](C)C1	ZINC001093116274	957561869	/nfs/dbraw/zinc/56/18/69/957561869.db2.gz	OTARCFACDIDOID-HZPDHXFCSA-N	1	0	361.490	1.894	20	30		FDEDRO
C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2cccc(C(=O)NC)n2)[C@H](C)C1	ZINC001093167685	957723047	/nfs/dbraw/zinc/72/30/47/957723047.db2.gz	AHKVIUHKOQPGBP-DGCLKSJQSA-N	1	0	350.850	1.491	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2nc3cc[nH]cc-3n2)C1	ZINC001197551285	972298354	/nfs/dbraw/zinc/29/83/54/972298354.db2.gz	HQMJVBAYXGGYMW-IAOVAPTHSA-N	1	0	357.458	1.407	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CCC(=O)N(C)C1	ZINC001093230463	957865161	/nfs/dbraw/zinc/86/51/61/957865161.db2.gz	GANPYBSOKVAYIO-YZGWKJHDSA-N	1	0	367.493	1.591	20	30		FDEDRO
C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2c(OC)ncnc2OC)[C@H](C)C1	ZINC001093257485	957890207	/nfs/dbraw/zinc/89/02/07/957890207.db2.gz	RUEIFAHQBOZWDH-ZYHUDNBSSA-N	1	0	354.838	1.544	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)CC(F)(F)F)C[C@H]2C)C1=O	ZINC001093272436	957941385	/nfs/dbraw/zinc/94/13/85/957941385.db2.gz	SAZZIPWLQUUEOC-MCIONIFRSA-N	1	0	361.408	1.800	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H]3CCC(=O)NC3=O)C2)cc1	ZINC001093281751	957960276	/nfs/dbraw/zinc/96/02/76/957960276.db2.gz	UUXNGPIOLCOBIF-OLMNPRSZSA-N	1	0	367.449	1.161	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)Cc3ccco3)C[C@H]2C)C1=O	ZINC001093288110	957976553	/nfs/dbraw/zinc/97/65/53/957976553.db2.gz	OTTWWQVTGXMUNL-JFIYKMOQSA-N	1	0	359.470	1.683	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3nocc3C)C[C@H]2C)C1=O	ZINC001093289642	957983505	/nfs/dbraw/zinc/98/35/05/957983505.db2.gz	WCTHPQUEJBOCSH-BMFZPTHFSA-N	1	0	360.458	1.458	20	30		FDEDRO
COCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)[C@@H]1C(C)C	ZINC001093416536	958037982	/nfs/dbraw/zinc/03/79/82/958037982.db2.gz	PNPDKPOFQFCHRD-QCFAMHMHSA-N	1	0	371.481	1.671	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnsn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093432115	958057574	/nfs/dbraw/zinc/05/75/74/958057574.db2.gz	APWYWNZPOJKGQV-UYHMYPTGSA-N	1	0	370.906	1.870	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093441518	958077562	/nfs/dbraw/zinc/07/75/62/958077562.db2.gz	AQBOOBKIEIMGCA-CBZIJGRNSA-N	1	0	364.877	1.809	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cncnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093441756	958078613	/nfs/dbraw/zinc/07/86/13/958078613.db2.gz	ANFHMCAFXDUGOL-IZBJGVDFSA-N	1	0	358.486	1.561	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncn(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093442775	958081435	/nfs/dbraw/zinc/08/14/35/958081435.db2.gz	LAAFVGREXSUOSV-VWPFQQQWSA-N	1	0	367.881	1.147	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3ccncn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093445039	958090134	/nfs/dbraw/zinc/09/01/34/958090134.db2.gz	AOKLEPWWHGQEDG-IZBJGVDFSA-N	1	0	358.486	1.561	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C4CCC4)nn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093445377	958090651	/nfs/dbraw/zinc/09/06/51/958090651.db2.gz	BYHSZXXGXYZXBY-PHXBYCTMSA-N	1	0	371.485	1.216	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(OC)ncn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093445879	958092571	/nfs/dbraw/zinc/09/25/71/958092571.db2.gz	DMJQPAGRQBPZCJ-LFEHRJTNSA-N	1	0	360.458	1.251	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc4n[nH]nc43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093446616	958095422	/nfs/dbraw/zinc/09/54/22/958095422.db2.gz	JAWGJNIUQFDRKX-QQTQMKHKSA-N	1	0	369.469	1.724	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(Cl)cnn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093446744	958096645	/nfs/dbraw/zinc/09/66/45/958096645.db2.gz	LJNFWMGCHRUILE-GZOSKZMVSA-N	1	0	364.877	1.286	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc4n(n3)CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093448387	958107318	/nfs/dbraw/zinc/10/73/18/958107318.db2.gz	IMUUXGZELQVREB-SOAMZJECSA-N	1	0	358.486	1.595	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnc(OC)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452064	958138066	/nfs/dbraw/zinc/13/80/66/958138066.db2.gz	CEEBLHUTYCYXQQ-QQTQMKHKSA-N	1	0	357.454	1.303	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3CCOCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093424119	958177433	/nfs/dbraw/zinc/17/74/33/958177433.db2.gz	QIDCKQYQZCSBMC-XSYGEPLQSA-N	1	0	350.503	1.955	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CCO)C3)[C@@H]2C(C)C)CC1	ZINC001093463722	958196388	/nfs/dbraw/zinc/19/63/88/958196388.db2.gz	YMAHUMJKRGKAMV-XSYGEPLQSA-N	1	0	350.503	1.691	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nccn4ccnc34)[C@H]2C(C)C)C[C@H]1O	ZINC001093464570	958200358	/nfs/dbraw/zinc/20/03/58/958200358.db2.gz	CJHCZBLGLZENJY-UOSKARGWSA-N	1	0	369.469	1.495	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C(F)F)n[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093467087	958211986	/nfs/dbraw/zinc/21/19/86/958211986.db2.gz	SDRZUTAWESVYAA-BSXFFOKHSA-N	1	0	366.412	1.560	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH]c(=O)cc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093468235	958218202	/nfs/dbraw/zinc/21/82/02/958218202.db2.gz	YAADZYCGPSVDSS-CIWUYKSXSA-N	1	0	359.470	1.861	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccncn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093469914	958224409	/nfs/dbraw/zinc/22/44/09/958224409.db2.gz	NJHOIGSXFFONFJ-KONPQCLYSA-N	1	0	364.877	1.809	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc(OC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093471120	958233342	/nfs/dbraw/zinc/23/33/42/958233342.db2.gz	CCGGJQVQIHELJH-HBXLWWENSA-N	1	0	357.454	1.303	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(OC)nn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093471402	958234177	/nfs/dbraw/zinc/23/41/77/958234177.db2.gz	DXCCYLHYYXWWQX-RRIFGTCXSA-N	1	0	360.458	1.251	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3[nH]cnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093471731	958235880	/nfs/dbraw/zinc/23/58/80/958235880.db2.gz	GKKXGFADZWSWRP-LFGUQSLTSA-N	1	0	360.502	1.803	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2csc(COC)n2)C1	ZINC001197604151	972330350	/nfs/dbraw/zinc/33/03/50/972330350.db2.gz	AFRVJIDFQKAQER-HZPDHXFCSA-N	1	0	369.531	1.964	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CC=C)C3)[C@@H]2C(C)C)cn1	ZINC001093471929	958237175	/nfs/dbraw/zinc/23/71/75/958237175.db2.gz	HBONDIBNAMOSKK-WERVVEIQSA-N	1	0	353.466	1.829	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3oc(CC)nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093472348	958238087	/nfs/dbraw/zinc/23/80/87/958238087.db2.gz	KIXOXZFIDZJHBA-YZDADXEPSA-N	1	0	359.470	1.758	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc(OC)nc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093472680	958240075	/nfs/dbraw/zinc/24/00/75/958240075.db2.gz	MKJJSBZXMAIECG-OAFZBRQQSA-N	1	0	360.458	1.251	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(Cl)no3)[C@H]2C(C)C)C[C@H]1O	ZINC001093472720	958240622	/nfs/dbraw/zinc/24/06/22/958240622.db2.gz	MKLVAHORYCNZLF-LVRJZDEYSA-N	1	0	351.834	1.541	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(C)c3Cl)[C@@H]2C(C)C)C[C@H]1O	ZINC001093453585	958262760	/nfs/dbraw/zinc/26/27/60/958262760.db2.gz	WTBQCUKBTAWZAN-ATNYBXOESA-N	1	0	366.893	1.839	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3csnn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093455621	958274113	/nfs/dbraw/zinc/27/41/13/958274113.db2.gz	PANYQIHIQLJLAQ-UYHMYPTGSA-N	1	0	370.906	1.870	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3n[nH]c4ccccc43)[C@H]2C(C)C)C[C@H]1O	ZINC001093477704	958289175	/nfs/dbraw/zinc/28/91/75/958289175.db2.gz	KVILVSLBKAQUSN-PLOVASNDSA-N	1	0	366.465	1.776	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccccc3N(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001093478290	958293862	/nfs/dbraw/zinc/29/38/62/958293862.db2.gz	DJHUCCIHUGNKQI-RPUPUWCGSA-N	1	0	369.509	1.966	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C)nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093480975	958305955	/nfs/dbraw/zinc/30/59/55/958305955.db2.gz	QYCKQXREJRLUOS-ANTGDGSKSA-N	1	0	355.482	1.911	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C(N)=O)C1	ZINC001197651079	972337732	/nfs/dbraw/zinc/33/77/32/972337732.db2.gz	WBMMFFRISKMOAH-OWCLPIDISA-N	1	0	354.495	1.051	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1C	ZINC001093621516	958353371	/nfs/dbraw/zinc/35/33/71/958353371.db2.gz	RMZXJNPDTPJRQO-RHSMWYFYSA-N	1	0	371.437	1.639	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1C	ZINC001093630311	958390274	/nfs/dbraw/zinc/39/02/74/958390274.db2.gz	MTFJVDKDODLSRJ-RHSMWYFYSA-N	1	0	367.453	1.798	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3cnn(C)c3)C[C@H]2C)cc1C#N	ZINC001093630081	958390289	/nfs/dbraw/zinc/39/02/89/958390289.db2.gz	GSTFVNDARXGROM-RHSMWYFYSA-N	1	0	367.453	1.798	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3ccccc3O)C[C@H]2C)C1=O	ZINC001093642617	958476886	/nfs/dbraw/zinc/47/68/86/958476886.db2.gz	LVJIWQUBARNWFV-BFYDXBDKSA-N	1	0	357.454	1.477	20	30		FDEDRO
Cc1c(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)c(F)c3)[C@H](C)C2)nnn1C	ZINC001093688256	958507872	/nfs/dbraw/zinc/50/78/72/958507872.db2.gz	QVZODYRMPULTCR-MLGOLLRUSA-N	1	0	370.432	1.632	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C(F)(F)F)s2)[C@H](C)C1	ZINC001093677730	958530393	/nfs/dbraw/zinc/53/03/93/958530393.db2.gz	CBKXDRZGNHQLHU-OPRDCNLKSA-N	1	0	361.393	1.901	20	30		FDEDRO
CCCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC001093699905	958566639	/nfs/dbraw/zinc/56/66/39/958566639.db2.gz	OTUGQYKYXDHWAO-UKRRQHHQSA-N	1	0	355.446	1.386	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+][C@@H]1CCN(C(C)(C)C)C1=O	ZINC001093699947	958566826	/nfs/dbraw/zinc/56/68/26/958566826.db2.gz	QVIKQXBPSVEKTO-FVQBIDKESA-N	1	0	371.485	1.583	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3cc(C)c(C)o3)C[C@H]2C)C1=O	ZINC001093715385	958582623	/nfs/dbraw/zinc/58/26/23/958582623.db2.gz	XXLGVPFWGPXRCX-OIISXLGYSA-N	1	0	359.470	1.981	20	30		FDEDRO
CCCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC001093722537	958597851	/nfs/dbraw/zinc/59/78/51/958597851.db2.gz	MURUAMJJFHSJHA-ZIAGYGMSSA-N	1	0	355.446	1.386	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)[C@H](C)C1)n1cncn1	ZINC001093725570	958607317	/nfs/dbraw/zinc/60/73/17/958607317.db2.gz	SHXYFCMPBQJUJP-CKEIUWERSA-N	1	0	370.432	1.734	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(C(=S)Nc3cccc(C#N)c3)CC[C@@H]2C1	ZINC001197694411	972365593	/nfs/dbraw/zinc/36/55/93/972365593.db2.gz	NNJHGPNRRTUADB-SJLPKXTDSA-N	1	0	374.510	1.924	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H](C[NH2+]Cc3ccccc3C#N)[C@H](C)C2)[nH]1	ZINC001093760375	958697313	/nfs/dbraw/zinc/69/73/13/958697313.db2.gz	IFMRDMVNXMZTQC-CXAGYDPISA-N	1	0	352.442	1.412	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1nncn1-c1ccccc1	ZINC001093764008	958705285	/nfs/dbraw/zinc/70/52/85/958705285.db2.gz	JDTVZXLPZCEMAK-SJLPKXTDSA-N	1	0	363.465	1.865	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)Cc3ccncc3C)C[C@H]2C)C1=O	ZINC001093771360	958732096	/nfs/dbraw/zinc/73/20/96/958732096.db2.gz	IPAQUPSTTVFZLB-QRQLOZEOSA-N	1	0	370.497	1.404	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001093798043	958815341	/nfs/dbraw/zinc/81/53/41/958815341.db2.gz	ZZRPMOVDUJBVLV-CZUORRHYSA-N	1	0	356.405	1.173	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)nn2)[C@H](C)C1	ZINC001093779030	958875578	/nfs/dbraw/zinc/87/55/78/958875578.db2.gz	UPQJVOVFTASNGO-AHCXZYCDSA-N	1	0	374.485	1.651	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2	ZINC001110149729	958993003	/nfs/dbraw/zinc/99/30/03/958993003.db2.gz	XDOJMVJYYGZCCN-MHORFTMASA-N	1	0	362.518	1.275	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CCNC(=O)C2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093860390	959023822	/nfs/dbraw/zinc/02/38/22/959023822.db2.gz	HDBXHRVVVCUMHN-FPDPHYFHSA-N	1	0	368.481	1.659	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CCNC(=O)C2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093860495	959024621	/nfs/dbraw/zinc/02/46/21/959024621.db2.gz	KVOMVFKZPBSBLT-FPDPHYFHSA-N	1	0	368.481	1.659	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093870126	959054668	/nfs/dbraw/zinc/05/46/68/959054668.db2.gz	LIFIUHIUYXGNQM-DNVCBOLYSA-N	1	0	364.449	1.755	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCCC(=O)N2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093904853	959282660	/nfs/dbraw/zinc/28/26/60/959282660.db2.gz	BRYNPESZAADVRV-ATZDWAIDSA-N	1	0	368.481	1.801	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)[C@H](C)C1	ZINC001093965499	959375286	/nfs/dbraw/zinc/37/52/86/959375286.db2.gz	BGGWOVATDWXJQS-BZUAXINKSA-N	1	0	371.547	1.164	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3cn(CC)nn3)[C@H](C)C2)c1	ZINC001094028043	959549834	/nfs/dbraw/zinc/54/98/34/959549834.db2.gz	PBGIGKAJRPSROK-RHSMWYFYSA-N	1	0	352.442	1.172	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3cc4n(n3)CCC4)[C@H](C)C2)c1	ZINC001094028234	959550058	/nfs/dbraw/zinc/55/00/58/959550058.db2.gz	VWRMSYSQPMHOLB-CRAIPNDOSA-N	1	0	363.465	1.704	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3nccn3CC)[C@H](C)C2)c1	ZINC001094029629	959554881	/nfs/dbraw/zinc/55/48/81/959554881.db2.gz	ZKAVOHCHQXNZJE-CRAIPNDOSA-N	1	0	351.454	1.777	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001094048942	959622462	/nfs/dbraw/zinc/62/24/62/959622462.db2.gz	UVKDIIWQMYBQSF-APIJFGDWSA-N	1	0	374.510	1.705	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nc(C3CC3)no2)[C@H](C)C1	ZINC001094055057	959644614	/nfs/dbraw/zinc/64/46/14/959644614.db2.gz	FMHLZJMJSSVTDZ-MIGQKNRLSA-N	1	0	360.458	1.722	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ncc(Cl)n2C)[C@H](C)C1	ZINC001094055088	959644771	/nfs/dbraw/zinc/64/47/71/959644771.db2.gz	HEGLBHXMERZVFZ-TUVASFSCSA-N	1	0	366.893	1.849	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nn(C)cc2Cl)[C@H](C)C1	ZINC001094057688	959651345	/nfs/dbraw/zinc/65/13/45/959651345.db2.gz	RYQHGEGUKAERPD-WBOJAVRRSA-N	1	0	366.893	1.849	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001094015922	959658393	/nfs/dbraw/zinc/65/83/93/959658393.db2.gz	MGEDCKWHGOUYSR-CZUORRHYSA-N	1	0	353.426	1.495	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3nocc3C)[C@H](C)C2)nn1	ZINC001094099710	959782162	/nfs/dbraw/zinc/78/21/62/959782162.db2.gz	KCUHPKSIIXCZHB-UKRRQHHQSA-N	1	0	358.446	1.649	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)c3ncccn3)[C@H](C)C2)nn1	ZINC001094100038	959784113	/nfs/dbraw/zinc/78/41/13/959784113.db2.gz	YPKBZEOKKPOXKZ-OWCLPIDISA-N	1	0	369.473	1.703	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3ncccc3F)C[C@H]2C)C1=O	ZINC001094131370	959851689	/nfs/dbraw/zinc/85/16/89/959851689.db2.gz	FBAFQDORLQPILH-FMKPAKJESA-N	1	0	360.433	1.305	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001094132362	959856053	/nfs/dbraw/zinc/85/60/53/959856053.db2.gz	DYBDSKJVJMHJCC-CZUORRHYSA-N	1	0	355.417	1.847	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001094135006	959866720	/nfs/dbraw/zinc/86/67/20/959866720.db2.gz	WLHUFMYUPWPXPS-CXAGYDPISA-N	1	0	365.437	1.483	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001094107187	959893331	/nfs/dbraw/zinc/89/33/31/959893331.db2.gz	IXADKXFQVHTOJH-ZTFGCOKTSA-N	1	0	354.454	1.411	20	30		FDEDRO
COc1ncc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)cc3)[C@H](C)C2)cn1	ZINC001094146652	959905178	/nfs/dbraw/zinc/90/51/78/959905178.db2.gz	ZVKNFELIMWWVCT-RDTXWAMCSA-N	1	0	365.437	1.855	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nn(CC)nc3C)[C@H](C)C2)cn1	ZINC001094174473	959978498	/nfs/dbraw/zinc/97/84/98/959978498.db2.gz	JQLUBJPEJWGVPL-RHSMWYFYSA-N	1	0	366.469	1.481	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nn(CC)nc3C)[C@H](C)C2)nc1	ZINC001094174672	959978620	/nfs/dbraw/zinc/97/86/20/959978620.db2.gz	OBTWCUFJYLMBIK-RHSMWYFYSA-N	1	0	366.469	1.481	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H]3CCN(C(C)C)C3=O)[C@H](C)C2)cn1	ZINC001094176433	959981685	/nfs/dbraw/zinc/98/16/85/959981685.db2.gz	KLEZRMGDZSSZEE-SZVBFZGTSA-N	1	0	368.481	1.370	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCOC2)[C@H](C)C1	ZINC001094176428	959982209	/nfs/dbraw/zinc/98/22/09/959982209.db2.gz	KCZJSMUTYMLAKH-IXDOHACOSA-N	1	0	357.454	1.428	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001094206459	960002993	/nfs/dbraw/zinc/00/29/93/960002993.db2.gz	JBDXPBLFVLSYRN-CZUORRHYSA-N	1	0	356.405	1.173	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001094214953	960020461	/nfs/dbraw/zinc/02/04/61/960020461.db2.gz	SOMJFYKLYWVIMP-VQIMIIECSA-N	1	0	364.449	1.604	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001094221281	960048849	/nfs/dbraw/zinc/04/88/49/960048849.db2.gz	CLMOZIPNPIGXIV-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]Cc2ccn(C)n2)[C@H](C)C1	ZINC001094188381	960070766	/nfs/dbraw/zinc/07/07/66/960070766.db2.gz	RHQKUPXZEOLQTH-VQIMIIECSA-N	1	0	350.466	1.828	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)C[C@H]2C)C1=O	ZINC001094250758	960185354	/nfs/dbraw/zinc/18/53/54/960185354.db2.gz	KJUMEXODNCSVJX-WHLNWLGISA-N	1	0	371.525	1.750	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1)N1CCOCC1	ZINC001094260589	960207752	/nfs/dbraw/zinc/20/77/52/960207752.db2.gz	VYPARTMOFUTJHH-FUHIMQAGSA-N	1	0	370.497	1.463	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1cn(C2C[NH+](CC3CCCC3)C2)nn1	ZINC001094320995	960252444	/nfs/dbraw/zinc/25/24/44/960252444.db2.gz	XMAGWTOMVCPCSU-MSOLQXFVSA-N	1	0	359.474	1.532	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)N2CCC2)CC3)c1	ZINC001094386467	960333224	/nfs/dbraw/zinc/33/32/24/960333224.db2.gz	BFCCBWRCDDPGCQ-VQIMIIECSA-N	1	0	355.442	1.093	20	30		FDEDRO
CCn1nncc1C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C#N)[nH]3)CCC[C@@H]12	ZINC001094394888	960344022	/nfs/dbraw/zinc/34/40/22/960344022.db2.gz	UUYDNJGKAFLPLI-IEBWSBKVSA-N	1	0	367.457	1.672	20	30		FDEDRO
C#C[C@@H](NCC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)[C@H]1CCCO1	ZINC000775789306	972502741	/nfs/dbraw/zinc/50/27/41/972502741.db2.gz	CPFNGVBGZJQPES-NHCUHLMSSA-N	1	0	369.509	1.800	20	30		FDEDRO
N#CCN1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)CCC[C@@H]12	ZINC001094432859	960440957	/nfs/dbraw/zinc/44/09/57/960440957.db2.gz	FBVZSCCNDFDJIQ-QWFCFKBJSA-N	1	0	360.502	1.514	20	30		FDEDRO
N#CCN1CC[C@@]2(CNC(=O)c3ccn(-c4cc[nH+]cc4)n3)CCC[C@@H]12	ZINC001094466203	960470071	/nfs/dbraw/zinc/47/00/71/960470071.db2.gz	HJEONJWXEHGKIS-IEBWSBKVSA-N	1	0	350.426	1.765	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3nc4ncc(C)cn4n3)CCC[C@@H]12	ZINC001094443154	960509764	/nfs/dbraw/zinc/50/97/64/960509764.db2.gz	RHHZAGJGQZCZAQ-DNVCBOLYSA-N	1	0	352.442	1.430	20	30		FDEDRO
C=CCOc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NC)CC3)cc1	ZINC001094451201	960529615	/nfs/dbraw/zinc/52/96/15/960529615.db2.gz	RKTYRSIUTFMBSD-WIYYLYMNSA-N	1	0	371.481	1.972	20	30		FDEDRO
C#C[C@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)[C@H]1CCCO1	ZINC000775792729	972521905	/nfs/dbraw/zinc/52/19/05/972521905.db2.gz	SNUTVZVRYVMOIB-CWRNSKLLSA-N	1	0	354.244	1.959	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C(N)=O)[nH]3)CCC[C@@H]12	ZINC001094511394	960694264	/nfs/dbraw/zinc/69/42/64/960694264.db2.gz	RCBQSOCWLGRHHY-RHSMWYFYSA-N	1	0	350.850	1.841	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCn1cncn1)CC2	ZINC001094516979	960711816	/nfs/dbraw/zinc/71/18/16/960711816.db2.gz	UHKLJISQQRLSKV-SFNKJDCFSA-N	1	0	359.474	1.230	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4nnnn4CC3)CCC[C@@H]12	ZINC001094519166	960713398	/nfs/dbraw/zinc/71/33/98/960713398.db2.gz	XFSULBGJQPIOJO-FRQCXROJSA-N	1	0	358.490	1.563	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3C(=O)C3CC3)CCC[C@@H]12	ZINC001094531606	960741951	/nfs/dbraw/zinc/74/19/51/960741951.db2.gz	XEPREZLOQHXIFL-WAOWUJCRSA-N	1	0	357.498	1.772	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@]3(CNC(=O)c4ccncn4)CCC[C@@H]23)C1=O	ZINC001094538424	960767647	/nfs/dbraw/zinc/76/76/47/960767647.db2.gz	FTFXGKLBSVZQFH-SQGPQFPESA-N	1	0	369.469	1.238	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2cnnn2C)CC3)nc1	ZINC001094559721	960803484	/nfs/dbraw/zinc/80/34/84/960803484.db2.gz	GFDSDAHCGLRACR-UYAOXDASSA-N	1	0	364.453	1.366	20	30		FDEDRO
CCOC(=O)C(C)N=Nc1cc(Nc2nccnc2C[NH3+])ccc1[N+](=O)[O-]	ZINC001171448781	960873093	/nfs/dbraw/zinc/87/30/93/960873093.db2.gz	OBJSLCAJLQPLCL-FBHDLOMBSA-N	1	0	373.373	1.938	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3c(OC)ncnc3OC)CCC[C@@H]12	ZINC001094588536	960918425	/nfs/dbraw/zinc/91/84/25/960918425.db2.gz	UHWQWOBOVUDGSE-AUUYWEPGSA-N	1	0	358.442	1.492	20	30		FDEDRO
C[N@@H+]1C[C@H](C(=O)NCCCNc2ccnc(C#N)n2)[C@@H](c2ccccc2)C1	ZINC001094797942	961145742	/nfs/dbraw/zinc/14/57/42/961145742.db2.gz	RTUUTKLOFQTJQC-SJORKVTESA-N	1	0	364.453	1.034	20	30		FDEDRO
C[C@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1C[C@H]1c1ccsc1	ZINC001171516825	961212632	/nfs/dbraw/zinc/21/26/32/961212632.db2.gz	ZEODMEGEXRCLHF-VNQPRFMTSA-N	1	0	362.499	1.756	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NCC[N@H+]2CCCC(C)(C)C2)c1	ZINC000773950625	961233165	/nfs/dbraw/zinc/23/31/65/961233165.db2.gz	XQOFKPBDHOSBHT-UHFFFAOYSA-N	1	0	357.454	1.875	20	30		FDEDRO
C#CCN(CC(=O)NCCCCc1cc[nH+]c(N)c1)C(=O)OC(C)(C)C	ZINC001181969489	961333838	/nfs/dbraw/zinc/33/38/38/961333838.db2.gz	VBXDLRQHLFXUQT-UHFFFAOYSA-N	1	0	360.458	1.973	20	30		FDEDRO
COc1ccc(C#CC(=O)N(c2ncnc3c2CC[NH2+]CC3)C(C)C)cc1	ZINC001182046633	961362082	/nfs/dbraw/zinc/36/20/82/961362082.db2.gz	RIQKMBCCSJNKME-UHFFFAOYSA-N	1	0	364.449	1.967	20	30		FDEDRO
CC(=O)NCc1nnn2c1C[N@H+]([C@@H](C)Cc1ccc(C#N)cc1)CCC2	ZINC001172305973	961617426	/nfs/dbraw/zinc/61/74/26/961617426.db2.gz	ASHYLOCJVDPLHY-AWEZNQCLSA-N	1	0	352.442	1.623	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@@H](OCC(=O)N(C)C)[C@H]2COC[C@H]21	ZINC001172306571	961617712	/nfs/dbraw/zinc/61/77/12/961617712.db2.gz	XLUPFMJKTDFNEH-WQANXHIZSA-N	1	0	357.454	1.293	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC001172309720	961617948	/nfs/dbraw/zinc/61/79/48/961617948.db2.gz	WOHCIDIEEQMLHD-BEFAXECRSA-N	1	0	364.449	1.292	20	30		FDEDRO
C[C@H](CCCC#N)[N@@H+]1CC[C@]2(C1)C[C@@H](NC(=O)c1cnccn1)CCO2	ZINC001172496408	961688318	/nfs/dbraw/zinc/68/83/18/961688318.db2.gz	ZZDCINHQVPKMJG-JTDSTZFVSA-N	1	0	357.458	1.912	20	30		FDEDRO
C=C[C@@H](CO)[NH2+][C@@H]1C[C@@H](C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C1	ZINC001172695755	961740999	/nfs/dbraw/zinc/74/09/99/961740999.db2.gz	LQINSCOAQZXNAF-MJBXVCDLSA-N	1	0	356.463	1.843	20	30		FDEDRO
C#CCCN1CCC[C@@H]([NH2+][C@H]2CCN(Cc3ccccc3)C(=O)C2)C1=O	ZINC001172664344	961743408	/nfs/dbraw/zinc/74/34/08/961743408.db2.gz	MTVLKIDGUYHJMS-RBUKOAKNSA-N	1	0	353.466	1.782	20	30		FDEDRO
COC(=O)[C@@H]1CCC[C@H](NC(=[NH2+])c2ccc(S(C)(=O)=O)cc2)CC1	ZINC001172776731	961785147	/nfs/dbraw/zinc/78/51/47/961785147.db2.gz	MOPKERNGDOZAHA-KGLIPLIRSA-N	1	0	352.456	1.917	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC2(N3CCCC3)COC2)C[C@H]1C#N	ZINC001172967964	961854280	/nfs/dbraw/zinc/85/42/80/961854280.db2.gz	GFXMAXVIZYQWCW-CVEARBPZSA-N	1	0	364.490	1.732	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CCC[C@]3(CCNC3=O)C2)C[C@H]1C#N	ZINC001172990637	961860582	/nfs/dbraw/zinc/86/05/82/961860582.db2.gz	WVPUENFNHMCFIY-VCBZYWHSSA-N	1	0	362.474	1.880	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(CCC[NH3+])CC2)C[C@H]1C#N	ZINC001172982508	961866130	/nfs/dbraw/zinc/86/61/30/961866130.db2.gz	DBIHXCWGHCMJSZ-CVEARBPZSA-N	1	0	351.495	1.244	20	30		FDEDRO
CC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1	ZINC001172984527	961869246	/nfs/dbraw/zinc/86/92/46/961869246.db2.gz	LXTAGMAPNUWSIK-JYJNAYRXSA-N	1	0	350.463	1.879	20	30		FDEDRO
Cc1ccccc1NC(=[NH2+])NCc1ccc(C(=O)N2CCNC(=O)C2)cc1	ZINC000170911445	961892780	/nfs/dbraw/zinc/89/27/80/961892780.db2.gz	GHOYWZLZBLGVOZ-UHFFFAOYSA-N	1	0	365.437	1.494	20	30		FDEDRO
C#CCN(C(=O)NCC[N@H+]1CCCC[C@@H]1CC)[C@H]1CCS(=O)(=O)C1	ZINC000774220140	961901147	/nfs/dbraw/zinc/90/11/47/961901147.db2.gz	CINHLZIUOXTEFV-HOTGVXAUSA-N	1	0	355.504	1.083	20	30		FDEDRO
Cn1ccnc1C(=O)N[C@H]1C[N@@H+](C2CCC(CC#N)CC2)[C@@H]2CCCO[C@@H]21	ZINC001173334943	962008287	/nfs/dbraw/zinc/00/82/87/962008287.db2.gz	AWSIXRCFMXGJMJ-YXYCDRMUSA-N	1	0	371.485	1.854	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+]C3CCN(CCO)CC3)CC2)cc1	ZINC001173426111	962135992	/nfs/dbraw/zinc/13/59/92/962135992.db2.gz	OXZZFXRNUDUNMF-UHFFFAOYSA-N	1	0	356.470	1.209	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+][C@H](CO)c3cccnc3)CC2)cc1	ZINC001173429113	962143602	/nfs/dbraw/zinc/14/36/02/962143602.db2.gz	MNMUUDJRICSHCD-LJQANCHMSA-N	1	0	350.422	1.881	20	30		FDEDRO
C[C@@]1(CO)CC[N@@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C[C@H]1O	ZINC001173429890	962146346	/nfs/dbraw/zinc/14/63/46/962146346.db2.gz	FLGCMLUSWJGTNX-QUCCMNQESA-N	1	0	357.454	1.228	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2OCC[C@H]2C(C)C)C1	ZINC001182654689	962409855	/nfs/dbraw/zinc/40/98/55/962409855.db2.gz	OQEIOIJISNGXFA-RYRKJORJSA-N	1	0	364.490	1.000	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCOCCO)C1	ZINC001182847025	962560110	/nfs/dbraw/zinc/56/01/10/962560110.db2.gz	YEJKWUYOGUJXDS-DOADOZAASA-N	1	0	368.518	1.441	20	30		FDEDRO
N#CCCC[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC001173693919	962585016	/nfs/dbraw/zinc/58/50/16/962585016.db2.gz	FLIAZYVGRVFEMI-UHFFFAOYSA-N	1	0	352.416	1.641	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCn2cccn2)C1	ZINC001182869265	962614957	/nfs/dbraw/zinc/61/49/57/962614957.db2.gz	NAWDWMILBOSMNS-DOADOZAASA-N	1	0	360.502	1.939	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N[C@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12	ZINC001183080667	962781692	/nfs/dbraw/zinc/78/16/92/962781692.db2.gz	WQCFCPZLXPULBE-OWCLPIDISA-N	1	0	365.474	1.389	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2Cl)C1	ZINC001183369556	963017139	/nfs/dbraw/zinc/01/71/39/963017139.db2.gz	RDPJMLRZAAXRGQ-LESCRADOSA-N	1	0	362.857	1.686	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C(N)=O)cc1	ZINC001110183009	963097676	/nfs/dbraw/zinc/09/76/76/963097676.db2.gz	HPYREXNVEASWBU-NBMRYCAZSA-N	1	0	357.454	1.598	20	30		FDEDRO
C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1	ZINC001175236048	963103324	/nfs/dbraw/zinc/10/33/24/963103324.db2.gz	IRNRZNJJLZFKQI-BBWFWOEESA-N	1	0	353.507	1.853	20	30		FDEDRO
C[C@]12C[NH+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@]1(C)C(=O)NC2=O	ZINC001175250041	963110846	/nfs/dbraw/zinc/11/08/46/963110846.db2.gz	LWIYHPSIFYXCFR-IAGOWNOFSA-N	1	0	360.801	1.135	20	30		FDEDRO
N#Cc1ccc(-c2nnc(C[NH+]3CCC(CCO)(CCO)CC3)o2)cc1	ZINC001175325233	963148643	/nfs/dbraw/zinc/14/86/43/963148643.db2.gz	ZUXLBPHJBPPCQK-UHFFFAOYSA-N	1	0	356.426	1.955	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCn1cncn1	ZINC001110185704	963169729	/nfs/dbraw/zinc/16/97/29/963169729.db2.gz	JSOVPGZRJMBOJL-BDXSIMOUSA-N	1	0	361.490	1.761	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1nn(CC)nc1C	ZINC001175364964	963170167	/nfs/dbraw/zinc/17/01/67/963170167.db2.gz	GCPORRJTUMOQCI-LESCRADOSA-N	1	0	363.506	1.962	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1nnnn1CCC	ZINC001175367059	963171326	/nfs/dbraw/zinc/17/13/26/963171326.db2.gz	XJJBLDASCUULFD-OAGGEKHMSA-N	1	0	364.494	1.439	20	30		FDEDRO
C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC001175664435	963260447	/nfs/dbraw/zinc/26/04/47/963260447.db2.gz	WIMZQYJNWKPWAJ-XKGZKEIXSA-N	1	0	370.497	1.889	20	30		FDEDRO
C=CCc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cc(OC)c1OC	ZINC000773526981	963298765	/nfs/dbraw/zinc/29/87/65/963298765.db2.gz	BGYKGXLUNMFZHW-QGZVFWFLSA-N	1	0	359.470	1.552	20	30		FDEDRO
N#Cc1ccc(N[C@H]2CCC[N@@H+](Cc3ccc(S(N)(=O)=O)cc3)C2)nc1	ZINC001183927701	963364336	/nfs/dbraw/zinc/36/43/36/963364336.db2.gz	CAZDYGLGADGIOD-INIZCTEOSA-N	1	0	371.466	1.677	20	30		FDEDRO
C#CC[C@]1(C(=O)NC(=N)SCC[NH3+])CCCN1C(=O)OC(C)(C)C	ZINC001184102208	963430881	/nfs/dbraw/zinc/43/08/81/963430881.db2.gz	KSHUPBSJWYQJSO-MRXNPFEDSA-N	1	0	354.476	1.522	20	30		FDEDRO
C=C(CC(=O)OCCCC)C(=O)N[C@@H](CCc1cn(C)cn1)C(=O)OC	ZINC001184315614	963532069	/nfs/dbraw/zinc/53/20/69/963532069.db2.gz	IEJDMGDOVIIQSB-HNNXBMFYSA-N	1	0	365.430	1.300	20	30		FDEDRO
CCCCCCCCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000774774346	963693464	/nfs/dbraw/zinc/69/34/64/963693464.db2.gz	YJJMKCMKLNEIBP-QGZVFWFLSA-N	1	0	366.550	1.748	20	30		FDEDRO
CC(C)(C)OC(=O)N(CCC#N)CC(=O)n1ccc([C@@H]2CCC[NH2+]2)nc1=N	ZINC001184853007	963722162	/nfs/dbraw/zinc/72/21/62/963722162.db2.gz	ABKPEIBLJACXSG-ZDUSSCGKSA-N	1	0	374.445	1.578	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNC(=O)CC(C)C)C2	ZINC001110202459	963734174	/nfs/dbraw/zinc/73/41/74/963734174.db2.gz	BGYFAYSBDYGUCY-IKGGRYGDSA-N	1	0	351.491	1.463	20	30		FDEDRO
CO/N=C(\C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2)c1ccco1	ZINC001177350877	963794606	/nfs/dbraw/zinc/79/46/06/963794606.db2.gz	YQQHFKLUBWPALL-JWGURIENSA-N	1	0	368.393	1.486	20	30		FDEDRO
Cn1cc(CCC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)nn1	ZINC001110210268	963877936	/nfs/dbraw/zinc/87/79/36/963877936.db2.gz	YOTQZBRBAHZURO-QYZOEREBSA-N	1	0	364.453	1.541	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C	ZINC000774861072	963924926	/nfs/dbraw/zinc/92/49/26/963924926.db2.gz	UTVXZJIVAVUIBP-JTQLQIEISA-N	1	0	360.277	1.492	20	30		FDEDRO
O=C(C#Cc1ccccn1)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1	ZINC001177801279	963974770	/nfs/dbraw/zinc/97/47/70/963974770.db2.gz	WXHCHQSNSOKFSU-UHFFFAOYSA-N	1	0	372.432	1.404	20	30		FDEDRO
C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@H](C#N)Cc2cccs2)CC1	ZINC001177917139	964020352	/nfs/dbraw/zinc/02/03/52/964020352.db2.gz	DIPCMLTUXXSUSS-KKUMJFAQSA-N	1	0	362.499	1.536	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccnc2)C1	ZINC001185797837	964109619	/nfs/dbraw/zinc/10/96/19/964109619.db2.gz	RFOOXVAFJQGDDY-CEXWTWQISA-N	1	0	368.481	1.576	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccco2)C1	ZINC001185797668	964110031	/nfs/dbraw/zinc/11/00/31/964110031.db2.gz	NCCBZMRDEHSUCI-BRWVUGGUSA-N	1	0	357.454	1.774	20	30		FDEDRO
C#CCC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@H]3CCO[C@H]3C(=C)C)C2)nn1	ZINC001186019672	964256216	/nfs/dbraw/zinc/25/62/16/964256216.db2.gz	VCSOLSABNMJDLY-FHWLQOOXSA-N	1	0	371.485	1.536	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@H]1OCC[C@H]1C(C)C	ZINC001178506404	964260667	/nfs/dbraw/zinc/26/06/67/964260667.db2.gz	SUVRUZOPGKRTID-BZSNNMDCSA-N	1	0	365.518	1.452	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCCCCCC[NH2+][C@@H]1CCCNC1=O	ZINC001178509860	964264186	/nfs/dbraw/zinc/26/41/86/964264186.db2.gz	ZFDXIMQHWOJMDF-ZACQAIPSSA-N	1	0	351.491	1.512	20	30		FDEDRO
COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCC(C#Cc3ccccc3)CC2)C1	ZINC001186108226	964302243	/nfs/dbraw/zinc/30/22/43/964302243.db2.gz	ZUMKSEAZJCLNTL-IBGZPJMESA-N	1	0	354.450	1.772	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H](COC)OC)C1	ZINC001186196379	964345196	/nfs/dbraw/zinc/34/51/96/964345196.db2.gz	JNKYAZIGBGGALQ-QRQLOZEOSA-N	1	0	362.445	1.642	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2ccon2)C1	ZINC001186212882	964378479	/nfs/dbraw/zinc/37/84/79/964378479.db2.gz	AIXXMEIOMXFHOH-KEYYUXOJSA-N	1	0	362.430	1.175	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC12CCOCC2	ZINC001186424171	964503020	/nfs/dbraw/zinc/50/30/20/964503020.db2.gz	GGSWIHXASDVBQM-QKDSSNGWSA-N	1	0	360.498	1.831	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccnn2C)CC12CCOCC2	ZINC001186434599	964509170	/nfs/dbraw/zinc/50/91/70/964509170.db2.gz	VSALSANUPQYTCJ-BRWVUGGUSA-N	1	0	358.486	1.554	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)CC12CCOCC2	ZINC001186505028	964533091	/nfs/dbraw/zinc/53/30/91/964533091.db2.gz	OXSQXFJPGUHOLD-KZNAEPCWSA-N	1	0	370.497	1.392	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	ZINC001179059619	964658970	/nfs/dbraw/zinc/65/89/70/964658970.db2.gz	LEGJOQNUHLZHAQ-XLAORIBOSA-N	1	0	365.518	1.758	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1C[C@@H]2CCN(C(=O)c3ccc(C)nc3)[C@@H]2C1	ZINC001186853398	964777070	/nfs/dbraw/zinc/77/70/70/964777070.db2.gz	FADPABXJOHYKQP-RBUKOAKNSA-N	1	0	370.497	1.961	20	30		FDEDRO
N#Cc1csc(CNC(=O)[C@]2(O)CCC[N@H+](Cc3ccccc3)C2)n1	ZINC001179370857	964850574	/nfs/dbraw/zinc/85/05/74/964850574.db2.gz	DGALZSFAERKQBN-SFHVURJKSA-N	1	0	356.451	1.658	20	30		FDEDRO
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1	ZINC001179585817	964917385	/nfs/dbraw/zinc/91/73/85/964917385.db2.gz	FBJVHUZUYAHIMX-HOTGVXAUSA-N	1	0	365.474	1.226	20	30		FDEDRO
C[NH+](C)CCN(C(=O)[C@@H]1C[C@@H]1C#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC001186976539	964919840	/nfs/dbraw/zinc/91/98/40/964919840.db2.gz	DCCMPUUUQPEMHO-BZUAXINKSA-N	1	0	364.490	1.936	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+]CCCCCCNC(=O)[C@H]2C[C@H]2C(N)=O)c1	ZINC001179601874	964925380	/nfs/dbraw/zinc/92/53/80/964925380.db2.gz	SJOWPKWBEZNNSP-CVEARBPZSA-N	1	0	360.433	1.585	20	30		FDEDRO
C[NH+](C)[C@@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccccc1	ZINC001179651673	964935268	/nfs/dbraw/zinc/93/52/68/964935268.db2.gz	NKHQEXWRHVEELL-XYJFISCASA-N	1	0	361.467	1.076	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCCCCC[NH2+][C@@H](CC)C(N)=O	ZINC001179781386	964975327	/nfs/dbraw/zinc/97/53/27/964975327.db2.gz	ZEHKYDNSHZRADC-ULQDDVLXSA-N	1	0	353.507	1.888	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCCCC[NH2+]CC(=O)NCCC	ZINC001179796938	964992105	/nfs/dbraw/zinc/99/21/05/964992105.db2.gz	DTOZIQPGATVOLM-WMZOPIPTSA-N	1	0	353.507	1.760	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(=O)N2CCN(c3nccnc3C#N)CC2)cc1	ZINC001187287474	965164561	/nfs/dbraw/zinc/16/45/61/965164561.db2.gz	BLGHFGCGTLDJNU-UHFFFAOYSA-N	1	0	350.426	1.372	20	30		FDEDRO
CCC(=O)NCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21	ZINC001187304737	965223392	/nfs/dbraw/zinc/22/33/92/965223392.db2.gz	MQSGUWXZZVKJDF-FUHWJXTLSA-N	1	0	370.453	1.148	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCc4ccccc4NC3=O)C[C@H]21	ZINC001187320414	965243939	/nfs/dbraw/zinc/24/39/39/965243939.db2.gz	SMVAJMAZBARQQV-YTQUADARSA-N	1	0	369.465	1.675	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCOC3)[C@@H]2C1	ZINC001187407667	965301457	/nfs/dbraw/zinc/30/14/57/965301457.db2.gz	HYACXVWTXUNXSQ-OKZBNKHCSA-N	1	0	361.486	1.146	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(C(N)=O)c3)C[C@H]21	ZINC001187479533	965410872	/nfs/dbraw/zinc/41/08/72/965410872.db2.gz	FDUMOQIXZPCREE-RBUKOAKNSA-N	1	0	371.481	1.801	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3Cl)C[C@H]21	ZINC001187591296	965509380	/nfs/dbraw/zinc/50/93/80/965509380.db2.gz	JETHHNVLWRMGIO-DOTOQJQBSA-N	1	0	359.857	1.512	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)c3ccc(F)cc3)C[C@H]21	ZINC001187598486	965518759	/nfs/dbraw/zinc/51/87/59/965518759.db2.gz	PVCMPQIJUCWOHY-UWWQBHOKSA-N	1	0	357.429	1.559	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)/C=C\c3ccc[nH]3)[C@@H]2C1	ZINC001187675262	965615532	/nfs/dbraw/zinc/61/55/32/965615532.db2.gz	SUAOOELHJQZIHD-JKLVOYIESA-N	1	0	368.481	1.761	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@H]2C[N@@H+](CCc3nnn(C(C)(C)C)n3)C[C@H]21	ZINC001187706214	965650187	/nfs/dbraw/zinc/65/01/87/965650187.db2.gz	HUVAQTSWCVVHRZ-JKSUJKDBSA-N	1	0	358.490	1.307	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)N3CCC(C)CC3)C[C@H]21	ZINC001187714926	965658568	/nfs/dbraw/zinc/65/85/68/965658568.db2.gz	VRHCZHWEXFGNSF-CEXWTWQISA-N	1	0	359.514	1.970	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H](CC)C(N)=O)C[C@H]32)cc1	ZINC001187903583	965844347	/nfs/dbraw/zinc/84/43/47/965844347.db2.gz	HMIWPQPBDPLJJP-QXAKKESOSA-N	1	0	369.465	1.499	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(N(C)C)c3)C[C@H]21	ZINC001187882238	965881137	/nfs/dbraw/zinc/88/11/37/965881137.db2.gz	LOHGJFGUHORVQW-XKGZKEIXSA-N	1	0	355.482	1.824	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C2CC3(CC(NC(=O)[C@]45C[C@H]4CCC5)C3)C2)C1=O	ZINC000964455204	1013611882	/nfs/dbraw/zinc/61/18/82/1013611882.db2.gz	QVCDCWWQINTIHW-BIQNRHKTSA-N	1	0	357.498	1.981	20	30		FDEDRO
C=C(C)CCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(c4cnn(C)c4)C3=O)C[C@H]21	ZINC001188086886	965997907	/nfs/dbraw/zinc/99/79/07/965997907.db2.gz	FBIKZSCWMLKGLB-RYQLBKOJSA-N	1	0	371.485	1.414	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C3CC4(C3)CS(=O)(=O)C4)[C@@H]2C1	ZINC001188328876	966205036	/nfs/dbraw/zinc/20/50/36/966205036.db2.gz	BUENBZLRUDBMPH-HLLBOEOZSA-N	1	0	366.527	1.699	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3ccc(OC)nc3)[C@@H]2C1	ZINC001188518258	966353218	/nfs/dbraw/zinc/35/32/18/966353218.db2.gz	OERZIQSFXOTOFM-ZWKOTPCHSA-N	1	0	359.470	1.758	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(OCC(N)=O)cc3)[C@@H]2C1	ZINC001188495900	966370275	/nfs/dbraw/zinc/37/02/75/966370275.db2.gz	QPKQJMTUQMDLAH-FUHWJXTLSA-N	1	0	357.454	1.663	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4cc(C)ccc4O3)[C@@H]2C1	ZINC001188555374	966392173	/nfs/dbraw/zinc/39/21/73/966392173.db2.gz	WYLVQVUFKDRXSG-QKNQBKEWSA-N	1	0	368.477	1.871	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCn3ccnc3)[C@@H]2C1	ZINC001188723744	966536397	/nfs/dbraw/zinc/53/63/97/966536397.db2.gz	DJJQMDSZIWFERU-ZWKOTPCHSA-N	1	0	371.485	1.007	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)cc1	ZINC001188729120	966540919	/nfs/dbraw/zinc/54/09/19/966540919.db2.gz	UOLMZJRIRYUWKA-UHFFFAOYSA-N	1	0	353.466	1.827	20	30		FDEDRO
C#CCCCCCC(=O)N1CC[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]21	ZINC001188793911	966557045	/nfs/dbraw/zinc/55/70/45/966557045.db2.gz	NITFFBKHTJFVLO-DLBZAZTESA-N	1	0	359.470	1.252	20	30		FDEDRO
C#CCCCCCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(CC=C)C3=O)C[C@H]21	ZINC001188807912	966594800	/nfs/dbraw/zinc/59/48/00/966594800.db2.gz	PFGJZHSGYXZETI-GBESFXJTSA-N	1	0	357.498	1.890	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@H+](CCCN3C(=O)CNC3=O)C[C@H]21	ZINC001188896184	966641339	/nfs/dbraw/zinc/64/13/39/966641339.db2.gz	KYWVOZYUDWRYCY-OWCLPIDISA-N	1	0	362.474	1.063	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnnc4ccccc43)[C@@H]2C1	ZINC001189238262	966847887	/nfs/dbraw/zinc/84/78/87/966847887.db2.gz	WSXWYOOLPPNBAM-HNAYVOBHSA-N	1	0	350.422	1.426	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)NS(C)(=O)=O)[C@@H]2C1	ZINC001189246537	966853539	/nfs/dbraw/zinc/85/35/39/966853539.db2.gz	RKGXAFIALVVSPA-OWCLPIDISA-N	1	0	357.520	1.203	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)OCc3ccccc3)[C@@H]2C1	ZINC001189260845	966882769	/nfs/dbraw/zinc/88/27/69/966882769.db2.gz	HWQFOLXVJNNQNA-YZGWKJHDSA-N	1	0	356.466	1.774	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(S(C)(=O)=O)o3)[C@@H]2C1	ZINC001189275333	966892032	/nfs/dbraw/zinc/89/20/32/966892032.db2.gz	ADTFROBLLMKYOY-UONOGXRCSA-N	1	0	352.456	1.796	20	30		FDEDRO
C=C(C)c1cccc(C(C)(C)NC(=O)NCCC[NH+](CCO)CCO)c1	ZINC001189275454	966892652	/nfs/dbraw/zinc/89/26/52/966892652.db2.gz	XSNZTFKTTAHEHB-UHFFFAOYSA-N	1	0	363.502	1.931	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccn(C(C)(C)C)c3=O)[C@@H]2C1	ZINC001189358911	966942654	/nfs/dbraw/zinc/94/26/54/966942654.db2.gz	HCVWYILHMKCNAM-FUHWJXTLSA-N	1	0	371.481	1.399	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cnnc4)cc3)[C@@H]2C1	ZINC001189420272	966966536	/nfs/dbraw/zinc/96/65/36/966966536.db2.gz	UUBCQWSFYFXEDH-PKOBYXMFSA-N	1	0	367.453	1.616	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ncc4ccccc43)[C@@H]2C1	ZINC001189438646	966990016	/nfs/dbraw/zinc/99/00/16/966990016.db2.gz	DBMBTCTYJNJNHW-PKOBYXMFSA-N	1	0	354.454	1.772	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCCc3cccnc3)[C@@H]2C1	ZINC001189561230	967046905	/nfs/dbraw/zinc/04/69/05/967046905.db2.gz	OZQONXZUGSNGKB-NZSAHSFTSA-N	1	0	370.497	1.628	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCC(CO)([NH2+]Cc2nc(C#N)cs2)CC1	ZINC000852173772	967051567	/nfs/dbraw/zinc/05/15/67/967051567.db2.gz	LNZPWOZDPICYTI-UHFFFAOYSA-N	1	0	352.460	1.866	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC(=O)NCC(F)(F)F)[C@@H]2C1	ZINC001189597693	967067428	/nfs/dbraw/zinc/06/74/28/967067428.db2.gz	MCEQZAVBDJKMEF-MELADBBJSA-N	1	0	361.408	1.942	20	30		FDEDRO
C#C[C@@H](NC(=O)NCc1ccnc(OCC[NH+](C)C)c1)C1CCOCC1	ZINC000852231296	967125263	/nfs/dbraw/zinc/12/52/63/967125263.db2.gz	CZCHPZQEYQPRER-QGZVFWFLSA-N	1	0	360.458	1.250	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(Cl)c(C(=O)OC)n1	ZINC000852360059	967250593	/nfs/dbraw/zinc/25/05/93/967250593.db2.gz	SVFWRMUANPYZLB-UHFFFAOYSA-N	1	0	352.822	1.276	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)[C@@H]2C1	ZINC001189778896	967260781	/nfs/dbraw/zinc/26/07/81/967260781.db2.gz	CMSXEQCSWFRIQJ-GOEBONIOSA-N	1	0	370.457	1.310	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cccn4c(=O)[nH]nc34)[C@@H]2C1	ZINC001189779689	967260843	/nfs/dbraw/zinc/26/08/43/967260843.db2.gz	MSXRTQAALSIIQJ-IJEWVQPXSA-N	1	0	355.442	1.936	20	30		FDEDRO
CCCNC(=O)CCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001189843443	967343553	/nfs/dbraw/zinc/34/35/53/967343553.db2.gz	JJJYGBSIRZQTBP-RBUKOAKNSA-N	1	0	368.481	1.897	20	30		FDEDRO
N#CCNC(=O)C[NH+]1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1	ZINC000852601029	967458077	/nfs/dbraw/zinc/45/80/77/967458077.db2.gz	NXGJVRNOFSTZRN-CYBMUJFWSA-N	1	0	360.380	1.139	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCCCn2cncn2)c1	ZINC001110421545	967509988	/nfs/dbraw/zinc/50/99/88/967509988.db2.gz	GZSUKLVWGDPASF-NUJGCVRESA-N	1	0	367.457	1.683	20	30		FDEDRO
CC(C)NC(=O)[C@@H]1CCCN(Cc2nc3ccccc3c(=O)n2CC#N)C1	ZINC000852695646	967537810	/nfs/dbraw/zinc/53/78/10/967537810.db2.gz	KSWYAWPIUDIKOY-OAHLLOKOSA-N	1	0	367.453	1.657	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)NC(=O)c3ccccc3)[C@@H]2C1	ZINC001190072196	967546068	/nfs/dbraw/zinc/54/60/68/967546068.db2.gz	JMYMSTMTEXIBRV-YTQUADARSA-N	1	0	371.481	1.540	20	30		FDEDRO
C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]2C[C@H]([NH3+])C2)nc1C	ZINC000852808509	967622244	/nfs/dbraw/zinc/62/22/44/967622244.db2.gz	AAMKNJYYXNBQLX-KYZUINATSA-N	1	0	350.473	1.861	20	30		FDEDRO
[NH3+]C[C@H]1CCCc2ccc(C(=O)NCCNC(=O)C3N=CC=CC3=O)cc21	ZINC000852807682	967622274	/nfs/dbraw/zinc/62/22/74/967622274.db2.gz	XMAWCCZBHYTQOE-MEUCICPISA-N	1	0	368.437	1.321	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NC[C@H](O)COc1cccc(C(F)(F)F)c1	ZINC000852824542	967636505	/nfs/dbraw/zinc/63/65/05/967636505.db2.gz	XQZVIXVPVNJHNO-HNNXBMFYSA-N	1	0	370.371	1.564	20	30		FDEDRO
C[C@@](NC(=O)C#CC1CC[NH2+]CC1)(C(N)=O)c1cccc(C(F)(F)F)c1	ZINC000852851045	967656357	/nfs/dbraw/zinc/65/63/57/967656357.db2.gz	XHWNZCDHFZKPIR-KRWDZBQOSA-N	1	0	367.371	1.525	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCN(c2nc3ccccc3s2)CC1	ZINC000852854820	967659516	/nfs/dbraw/zinc/65/95/16/967659516.db2.gz	QWRKKGBZLDTRHD-UHFFFAOYSA-N	1	0	354.479	1.948	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)CCC[NH2+]1	ZINC000852872643	967679252	/nfs/dbraw/zinc/67/92/52/967679252.db2.gz	JLAMVWSKCTYQIS-NRFANRHFSA-N	1	0	372.513	1.632	20	30		FDEDRO
C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H](Cc3ccccc3)OC)[C@@H]2C1	ZINC001190241265	967689162	/nfs/dbraw/zinc/68/91/62/967689162.db2.gz	VEAXCTNCTCPNDE-OTWHNJEPSA-N	1	0	371.481	1.079	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)Nc1ccc(C(=O)N2CCOCC2)c(F)c1	ZINC000852888030	967691541	/nfs/dbraw/zinc/69/15/41/967691541.db2.gz	CJECVWQAWZZMFY-UHFFFAOYSA-N	1	0	359.401	1.240	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O	ZINC000852889343	967692313	/nfs/dbraw/zinc/69/23/13/967692313.db2.gz	NCMPHKARAPHSFX-INIZCTEOSA-N	1	0	363.820	1.704	20	30		FDEDRO
CN1C(=O)C[C@@H](NC(=O)C#CC2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)cc1	ZINC000852890246	967692950	/nfs/dbraw/zinc/69/29/50/967692950.db2.gz	XAYNCAZCKUQODU-APWZRJJASA-N	1	0	359.857	1.731	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CCN(C(=O)[C@@]4(F)CC[NH2+]C4)CC3)n[nH]2)cc1	ZINC000852906842	967698423	/nfs/dbraw/zinc/69/84/23/967698423.db2.gz	UWPUTPGINTVXTG-LJQANCHMSA-N	1	0	368.416	1.299	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CCN(C(=O)C[C@H]([NH3+])C4CC4)CC3)n[nH]2)cc1	ZINC000852906696	967698435	/nfs/dbraw/zinc/69/84/35/967698435.db2.gz	OYJUZOPLJMZNBC-KRWDZBQOSA-N	1	0	364.453	1.724	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@]34C[C@H]3CCC4)C[C@H]2C)CC1	ZINC000957667932	1013741325	/nfs/dbraw/zinc/74/13/25/1013741325.db2.gz	AZWQTAFPFIMVNH-QTQZEZTPSA-N	1	0	357.498	1.485	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](CCCC)C(N)=O	ZINC001110425268	967722431	/nfs/dbraw/zinc/72/24/31/967722431.db2.gz	LVFUMJSJRAHUNH-WCXIOVBPSA-N	1	0	351.491	1.735	20	30		FDEDRO
N#Cc1ncc(C(F)(F)F)cc1N1CCC[C@H](n2cc(C[NH3+])nn2)C1	ZINC000853015677	967775221	/nfs/dbraw/zinc/77/52/21/967775221.db2.gz	BUDKVSIKMTTXKJ-LBPRGKRZSA-N	1	0	351.336	1.864	20	30		FDEDRO
CNC(=O)CCCCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001190416063	967829209	/nfs/dbraw/zinc/82/92/09/967829209.db2.gz	ADGWYVQFFDHWJD-RBUKOAKNSA-N	1	0	368.481	1.897	20	30		FDEDRO
C#C[C@@H]([NH2+]C[C@@H](O)COc1ccc(CCC(C)=O)cc1)C1CCOCC1	ZINC000853115443	967841153	/nfs/dbraw/zinc/84/11/53/967841153.db2.gz	JFDVYXGZCPQHHJ-TZIWHRDSSA-N	1	0	359.466	1.966	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]2C[N@H+](CCCCCn3cncn3)C[C@H]21	ZINC001190439686	967849516	/nfs/dbraw/zinc/84/95/16/967849516.db2.gz	BQENIXRFORJGOQ-ZWKOTPCHSA-N	1	0	361.490	1.574	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3cscn3)[C@@H]2C1	ZINC001190440583	967851928	/nfs/dbraw/zinc/85/19/28/967851928.db2.gz	JOWIGSCKGHVKOQ-IJEWVQPXSA-N	1	0	362.499	1.299	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]2C[N@H+](CCOC[C@@H]3CCCO3)C[C@H]21	ZINC001190440894	967853553	/nfs/dbraw/zinc/85/35/53/967853553.db2.gz	MCPKXWNLXQCTBT-OKZBNKHCSA-N	1	0	352.475	1.307	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)c3ccccc3)[C@@H]2C1	ZINC001190458697	967883301	/nfs/dbraw/zinc/88/33/01/967883301.db2.gz	JBIANARLRWYFNR-ZIFCJYIRSA-N	1	0	370.497	1.346	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1CC(N)=NOCC(=O)N1CCC(c2ccccc2)=N1	ZINC000111179216	967930112	/nfs/dbraw/zinc/93/01/12/967930112.db2.gz	BACIQEZCRLGQQO-HNNXBMFYSA-N	1	0	357.458	1.786	20	30		FDEDRO
C#CCCN(CCOC)C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1	ZINC000853307864	967965164	/nfs/dbraw/zinc/96/51/64/967965164.db2.gz	VQZQTXPIAXVUTG-UHFFFAOYSA-N	1	0	372.513	1.615	20	30		FDEDRO
C[C@H]1C[NH+]=C(NN=C2CCc3ccc(I)cc32)N1	ZINC000853330276	967972936	/nfs/dbraw/zinc/97/29/36/967972936.db2.gz	LRIRECQDGBHDJC-QMMMGPOBSA-N	1	0	354.195	1.879	20	30		FDEDRO
CC[N@@H+]1CCO[C@@H]2CN(S(=O)(=O)c3cc(C#N)ccc3Cl)C[C@@H]2C1	ZINC001190951081	968220702	/nfs/dbraw/zinc/22/07/02/968220702.db2.gz	IYWNEKAGEAGNQL-DZGCQCFKSA-N	1	0	369.874	1.553	20	30		FDEDRO
C#CCCCOc1cccnc1N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1	ZINC000853672595	968239382	/nfs/dbraw/zinc/23/93/82/968239382.db2.gz	HFIJOEVHKJJUGK-KRWDZBQOSA-N	1	0	356.470	1.665	20	30		FDEDRO
N#CCSCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ccccc3C2)C[C@H]1O	ZINC001191161726	968306479	/nfs/dbraw/zinc/30/64/79/968306479.db2.gz	IIIKMEZIQQYLKZ-ZTFGCOKTSA-N	1	0	359.495	1.210	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CNC(=O)c3ccccc31)C2	ZINC001110675389	968468184	/nfs/dbraw/zinc/46/81/84/968468184.db2.gz	UZQOFZQOSORXLD-FDPIWHGQSA-N	1	0	369.465	1.438	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N[C@]1(C)CCN(C(=O)OC(C)(C)C)C1	ZINC000854091476	968586252	/nfs/dbraw/zinc/58/62/52/968586252.db2.gz	BHCSKSWVGKZYCU-GOSISDBHSA-N	1	0	352.479	1.640	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCCc2ccsc2)C[C@H]1O	ZINC001191614585	968667963	/nfs/dbraw/zinc/66/79/63/968667963.db2.gz	NHFQXPWAOHISEG-DJIMGWMZSA-N	1	0	352.500	1.823	20	30		FDEDRO
O=C(C#Cc1ccc(C(F)(F)F)cc1)NC[C@H]1C[N@@H+]2CCN1CCC2	ZINC000854353335	968806070	/nfs/dbraw/zinc/80/60/70/968806070.db2.gz	WSYHWDCLIYYUTB-INIZCTEOSA-N	1	0	351.372	1.563	20	30		FDEDRO
CC(C)C#CC(=O)N(C)CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O	ZINC000854470370	968919927	/nfs/dbraw/zinc/91/99/27/968919927.db2.gz	HMNMPENOIUMBBI-UHFFFAOYSA-N	1	0	355.438	1.332	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1O	ZINC001192054050	968931746	/nfs/dbraw/zinc/93/17/46/968931746.db2.gz	IQLMVOVQHITLID-RTBURBONSA-N	1	0	357.454	1.812	20	30		FDEDRO
C#CCN(CC(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@H+]1C)C(=O)OC(C)(C)C	ZINC000854643889	969048024	/nfs/dbraw/zinc/04/80/24/969048024.db2.gz	ZUQLEPNWFMZYLX-JKSUJKDBSA-N	1	0	365.474	1.178	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCCOCc2ccccc2)C[C@H]1O	ZINC001192529080	969173203	/nfs/dbraw/zinc/17/32/03/969173203.db2.gz	AKGJGYGKICANIY-GGPKGHCWSA-N	1	0	362.470	1.082	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2cc3ccccc3s2)C[C@H]1O	ZINC001192531394	969175417	/nfs/dbraw/zinc/17/54/17/969175417.db2.gz	VMNGPYVJCYFNSC-MDZRGWNJSA-N	1	0	360.479	1.890	20	30		FDEDRO
C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001192787443	969291700	/nfs/dbraw/zinc/29/17/00/969291700.db2.gz	HQBRGAVZONOWKB-JENIJYKNSA-N	1	0	354.454	1.157	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCc3ccccc32)C[C@H]1O	ZINC001192892167	969351385	/nfs/dbraw/zinc/35/13/85/969351385.db2.gz	UNBZANMGVMQWFB-DFQSSKMNSA-N	1	0	356.466	1.308	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)N1CCc2c(CN(C)Cc3ccco3)cncc2C1	ZINC001193123810	969490520	/nfs/dbraw/zinc/49/05/20/969490520.db2.gz	XTKGFKCHQZRQOL-AWEZNQCLSA-N	1	0	374.466	1.907	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN2C(=O)CC)C1	ZINC001193148344	969514494	/nfs/dbraw/zinc/51/44/94/969514494.db2.gz	ROHDEYCKBJZMJS-KZNAEPCWSA-N	1	0	367.534	1.909	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1O	ZINC001193240836	969569702	/nfs/dbraw/zinc/56/97/02/969569702.db2.gz	LEYCYJAJHWQUTG-KZNAEPCWSA-N	1	0	352.475	1.112	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1O	ZINC001193312473	969617209	/nfs/dbraw/zinc/61/72/09/969617209.db2.gz	CHDPEYYLMHLZRG-RBSFLKMASA-N	1	0	360.882	1.122	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1CN(C[C@H](O)COc2ccc(F)cc2)C[C@H]1O	ZINC001193407020	969657978	/nfs/dbraw/zinc/65/79/78/969657978.db2.gz	ANSAACHHAWGKEJ-CGTJXYLNSA-N	1	0	366.433	1.083	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3c2cccc3OC)C1	ZINC001193415693	969692526	/nfs/dbraw/zinc/69/25/26/969692526.db2.gz	KDQCATMKOPYSAW-YSVLISHTSA-N	1	0	358.442	1.473	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1	ZINC001193422431	969698270	/nfs/dbraw/zinc/69/82/70/969698270.db2.gz	RJWMUEATYSOWPJ-BRWVUGGUSA-N	1	0	365.518	1.541	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccc([O-])c(C#N)c3)CC[C@@H]2C1	ZINC001193504942	969727843	/nfs/dbraw/zinc/72/78/43/969727843.db2.gz	AEYUOHRDSAZVTH-CRAIPNDOSA-N	1	0	359.426	1.073	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCN2C(=O)CCC2=O)C1	ZINC001193520211	969733471	/nfs/dbraw/zinc/73/34/71/969733471.db2.gz	IZZPHPSHBKUSJT-HZPDHXFCSA-N	1	0	367.490	1.047	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cccc(OC)c2F)C1	ZINC001193576857	969744557	/nfs/dbraw/zinc/74/45/57/969744557.db2.gz	FHPLQNQAWSVEJR-HZPDHXFCSA-N	1	0	350.434	1.894	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@](C)(OC)c2ccccc2F)C1	ZINC001193613407	969768158	/nfs/dbraw/zinc/76/81/58/969768158.db2.gz	YFOPIVSNSOIFJL-ZHALLVOQSA-N	1	0	350.434	1.815	20	30		FDEDRO
COc1ccc(C#N)c(S(=O)(=O)N2CCN(c3cc[nH+]cc3C)CC2)c1	ZINC001193675445	969806147	/nfs/dbraw/zinc/80/61/47/969806147.db2.gz	QUCBMMZAYUWTAX-UHFFFAOYSA-N	1	0	372.450	1.781	20	30		FDEDRO
COc1ccc(C#N)c(S(=O)(=O)N[C@@H]2CC[N@@H+](C(C)C)C[C@H]2C)c1	ZINC001193716447	969838591	/nfs/dbraw/zinc/83/85/91/969838591.db2.gz	ONEZZJXLCNJCKK-CZUORRHYSA-N	1	0	351.472	1.964	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)c2ccsc2)C1	ZINC001193934468	969906772	/nfs/dbraw/zinc/90/67/72/969906772.db2.gz	BNHWXZCWEJMSGF-NUEKZKHPSA-N	1	0	365.499	1.384	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn3c(n2)COCC3)C1	ZINC001194109370	969996424	/nfs/dbraw/zinc/99/64/24/969996424.db2.gz	FHNVKEYRIIXVPG-GDBMZVCRSA-N	1	0	350.463	1.159	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCc2ccc(OC)nc2)C1	ZINC001194102134	970017546	/nfs/dbraw/zinc/01/75/46/970017546.db2.gz	CFDYWBHCLIKWPM-USXIJHARSA-N	1	0	363.458	1.123	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc(C)cc2Cl)C1	ZINC001194191756	970044028	/nfs/dbraw/zinc/04/40/28/970044028.db2.gz	PEZWDXBGCFXNII-IAGOWNOFSA-N	1	0	352.862	1.555	20	30		FDEDRO
Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)N(CCC#N)CCC[NH+](C)C	ZINC000112881618	970087819	/nfs/dbraw/zinc/08/78/19/970087819.db2.gz	FROPHUPVQQDQLW-UHFFFAOYSA-N	1	0	372.473	1.115	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C(=O)NCC2CC[NH+](C3CCOCC3)CC2)cc1	ZINC000855200762	970206056	/nfs/dbraw/zinc/20/60/56/970206056.db2.gz	JBGNMNXDIIGHCF-LJQANCHMSA-N	1	0	357.454	1.599	20	30		FDEDRO
C[NH+]1CCN(c2ccc(C(=O)N/C=C/C(=O)C(F)(F)F)c(F)c2)CC1	ZINC001194551178	970245393	/nfs/dbraw/zinc/24/53/93/970245393.db2.gz	GFJXHGFFYSHYTR-SNAWJCMRSA-N	1	0	359.323	1.952	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)N2CCC[C@](C#N)(c3ccccn3)C2)CC1	ZINC000855303432	970279494	/nfs/dbraw/zinc/27/94/94/970279494.db2.gz	CGUOASFAJRQBHC-HXUWFJFHSA-N	1	0	355.486	1.493	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)[nH]nc2C(F)(F)F)C1	ZINC001194744785	970350891	/nfs/dbraw/zinc/35/08/91/970350891.db2.gz	DTARVYSLLBSQOW-MVWJERBFSA-N	1	0	360.380	1.867	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCOc1ccccc1	ZINC001110465783	970666384	/nfs/dbraw/zinc/66/63/84/970666384.db2.gz	SSMIVAQRUKJFCE-QRQLOZEOSA-N	1	0	369.465	1.317	20	30		FDEDRO
CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)C1	ZINC000775634572	970670022	/nfs/dbraw/zinc/67/00/22/970670022.db2.gz	UTBINHMOCKVFML-LFPJIICWSA-N	1	0	371.384	1.470	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1cccc(F)c1	ZINC001110466154	970715634	/nfs/dbraw/zinc/71/56/34/970715634.db2.gz	HKTJLQNVAAFBFZ-LIRZEXBASA-N	1	0	357.429	1.748	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC(=O)NCCC)C1	ZINC001197920134	972549237	/nfs/dbraw/zinc/54/92/37/972549237.db2.gz	WOVYAYKXBCCUJN-IAGOWNOFSA-N	1	0	355.523	1.815	20	30		FDEDRO
CN(CCC[NH+](C)C)Cc1ccc(C(=O)Nc2nnccc2C#N)cc1	ZINC001198017179	972643221	/nfs/dbraw/zinc/64/32/21/972643221.db2.gz	GXQFLYUKBPBVQR-UHFFFAOYSA-N	1	0	352.442	1.984	20	30		FDEDRO
Cc1cc(C=NNC(=S)NCCC[NH+](C)C)ncc1Br	ZINC000863092585	972665317	/nfs/dbraw/zinc/66/53/17/972665317.db2.gz	BUVFLSFNXANUAV-UHFFFAOYSA-N	1	0	358.309	1.902	20	30		FDEDRO
Cc1nn(C)c(N2CCOCC2)c1C=[NH+]NC[C@@H]1COc2ccccc2O1	ZINC000863199595	972701157	/nfs/dbraw/zinc/70/11/57/972701157.db2.gz	FZWQKHHXHPZBEX-OAHLLOKOSA-N	1	0	371.441	1.329	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C(F)(F)F)c2)C1	ZINC001198068539	972758852	/nfs/dbraw/zinc/75/88/52/972758852.db2.gz	HDKMBAPDNIOMOR-HUUCEWRRSA-N	1	0	358.360	1.683	20	30		FDEDRO
C=CCc1cc(OC)cc(C[N@H+]2CCC[C@@H](CS(=O)(=O)NC)C2)c1O	ZINC000863342003	972833534	/nfs/dbraw/zinc/83/35/34/972833534.db2.gz	WYKGSCXEEUQZLA-CQSZACIVSA-N	1	0	368.499	1.891	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1	ZINC000119421261	972845615	/nfs/dbraw/zinc/84/56/15/972845615.db2.gz	VZAFCMXADDKNSV-QAPCUYQASA-N	1	0	370.453	1.384	20	30		FDEDRO
Cn1cnc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1=O	ZINC000888521058	972848365	/nfs/dbraw/zinc/84/83/65/972848365.db2.gz	OBRFPGLDDBMXAK-UHFFFAOYSA-N	1	0	354.414	1.248	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)OCc2ccc(F)cc2)C1	ZINC001198261539	972913394	/nfs/dbraw/zinc/91/33/94/972913394.db2.gz	FIQCECQFXZWASM-ZTFGCOKTSA-N	1	0	350.434	1.858	20	30		FDEDRO
CC(=O)[C@H]1CC(C(=O)N(CCC#N)CCC[NH+](C)C)=NN1c1ccccc1	ZINC000104327303	972932876	/nfs/dbraw/zinc/93/28/76/972932876.db2.gz	RIFGFBINOWIIMV-LJQANCHMSA-N	1	0	369.469	1.904	20	30		FDEDRO
CC(C)OC(=O)N1CCC([NH2+]C[C@@H](O)COc2ccccc2C#N)CC1	ZINC000863550879	973007902	/nfs/dbraw/zinc/00/79/02/973007902.db2.gz	CCVKWPXUXFLDQH-QGZVFWFLSA-N	1	0	361.442	1.897	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(CCC[NH2+]C[C@H](O)CC2(C#N)CC2)CC1	ZINC000863552281	973008977	/nfs/dbraw/zinc/00/89/77/973008977.db2.gz	WVWKWANBRJGPTM-MRXNPFEDSA-N	1	0	366.506	1.574	20	30		FDEDRO
CC(C)(C)OC(=O)NC/C=C/C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1	ZINC000863553463	973010091	/nfs/dbraw/zinc/01/00/91/973010091.db2.gz	CAJFAVAGMSHCLE-RGDDUWESSA-N	1	0	353.463	1.728	20	30		FDEDRO
C#CC[C@@H](COC)[NH2+]CCS(=O)(=O)c1cccc(Br)c1	ZINC000863589435	973037684	/nfs/dbraw/zinc/03/76/84/973037684.db2.gz	OLXIYTBUBRRZAQ-ZDUSSCGKSA-N	1	0	360.273	1.851	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2coc3cc(C)ccc23)C1	ZINC001198416792	973078024	/nfs/dbraw/zinc/07/80/24/973078024.db2.gz	QHOBERMWGAAERA-QZTJIDSGSA-N	1	0	358.438	1.648	20	30		FDEDRO
CCCCOc1ccc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2O)cc1	ZINC001198579270	973323767	/nfs/dbraw/zinc/32/37/67/973323767.db2.gz	FDCIMKURSJZMKV-RTBURBONSA-N	1	0	360.454	1.290	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)nc[nH]c3=O)C1	ZINC001198681250	973406575	/nfs/dbraw/zinc/40/65/75/973406575.db2.gz	YKSMFDAOPCDFFU-JCURWCKSSA-N	1	0	356.426	1.465	20	30		FDEDRO
N#Cc1ccc([C@H](O)C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)cc1	ZINC000794590210	973406579	/nfs/dbraw/zinc/40/65/79/973406579.db2.gz	CEHSKUQKNBTHDZ-OALUTQOASA-N	1	0	351.406	1.797	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2OCC#N)C[N@@H+]1C1CC1	ZINC000119967029	973484837	/nfs/dbraw/zinc/48/48/37/973484837.db2.gz	GXIMSCGLPYQYTH-WCQYABFASA-N	1	0	360.389	1.408	20	30		FDEDRO
C=CCC[NH2+][C@H](CNC(=O)[C@H]1CN(C)C[C@@H](C)O1)c1ccccc1OC	ZINC001198776750	973511280	/nfs/dbraw/zinc/51/12/80/973511280.db2.gz	UCDHDLIBFOZCNE-SZVBFZGTSA-N	1	0	361.486	1.737	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2ccc(F)cc2F)C1	ZINC001198833763	973528542	/nfs/dbraw/zinc/52/85/42/973528542.db2.gz	FGFBGSPOQZIWDK-JCURWCKSSA-N	1	0	354.397	1.432	20	30		FDEDRO
C=CCC[NH2+][C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)c1ccccc1OC	ZINC001198902332	973633395	/nfs/dbraw/zinc/63/33/95/973633395.db2.gz	JVAVRVBYNYBPNE-HLLBOEOZSA-N	1	0	359.470	1.920	20	30		FDEDRO
C=C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)c1ccccc1	ZINC001198939575	973712850	/nfs/dbraw/zinc/71/28/50/973712850.db2.gz	AFDLKLGOFFFDTC-DFQSSKMNSA-N	1	0	358.482	1.934	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](c2cccnc2)N(C)C)C1	ZINC001199163154	973972333	/nfs/dbraw/zinc/97/23/33/973972333.db2.gz	FONVRFWIXGEFHT-QRVBRYPASA-N	1	0	360.502	1.592	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)C[C@H]1O	ZINC001199314632	974112928	/nfs/dbraw/zinc/11/29/28/974112928.db2.gz	RRYGBPLNHCMJOM-GDIGMMSISA-N	1	0	355.438	1.487	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2oc(C(C)C)nc2C)C[C@H]1O	ZINC001199311598	974151280	/nfs/dbraw/zinc/15/12/80/974151280.db2.gz	ABPDWTLIRFIAIJ-RBSFLKMASA-N	1	0	351.447	1.359	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccccc2OC(C)C)C[C@H]1O	ZINC001199312232	974151355	/nfs/dbraw/zinc/15/13/55/974151355.db2.gz	DMKJGPQTYGYVPF-CGTJXYLNSA-N	1	0	362.470	1.726	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@H]1O	ZINC001199317743	974184690	/nfs/dbraw/zinc/18/46/90/974184690.db2.gz	BPHRCHKTLGCZSJ-GDIGMMSISA-N	1	0	360.454	1.012	20	30		FDEDRO
C#CCOC[C@H](O)C[NH2+][C@H]1CCO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1	ZINC001251881344	974214180	/nfs/dbraw/zinc/21/41/80/974214180.db2.gz	SFLWJPPQGFJFAO-FCEWJHQRSA-N	1	0	368.474	1.145	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2-n2ccnn2)C1	ZINC001199488720	974293970	/nfs/dbraw/zinc/29/39/70/974293970.db2.gz	AAAATOVRPHFMLB-YXJHDRRASA-N	1	0	355.442	1.397	20	30		FDEDRO
N#Cc1ccc(C[NH2+]Cc2ccc(OCCN3CCOCC3)cc2)nc1	ZINC000865537833	974347995	/nfs/dbraw/zinc/34/79/95/974347995.db2.gz	OJELRVOHCVFYGC-UHFFFAOYSA-N	1	0	352.438	1.954	20	30		FDEDRO
C#CCOC[C@@H](O)C[NH2+][C@H]1Cc2ccc(I)cc2C1	ZINC001251891126	974349707	/nfs/dbraw/zinc/34/97/07/974349707.db2.gz	MENFRABWNYJNCR-GJZGRUSLSA-N	1	0	371.218	1.359	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+][C@@H]1CCC[C@H]1CNS(C)(=O)=O	ZINC000865556171	974358354	/nfs/dbraw/zinc/35/83/54/974358354.db2.gz	RHFNZBCFFCVVCH-GOEBONIOSA-N	1	0	350.488	1.432	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(C)oc3ccccc32)C1	ZINC001199575324	974379522	/nfs/dbraw/zinc/37/95/22/974379522.db2.gz	MFGWWFYRJJXPDC-QZTJIDSGSA-N	1	0	358.438	1.648	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1	ZINC000865613698	974386149	/nfs/dbraw/zinc/38/61/49/974386149.db2.gz	UFKRZSPFJJCSJZ-INIZCTEOSA-N	1	0	371.462	1.949	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCc1ccccc1	ZINC001110540089	974459476	/nfs/dbraw/zinc/45/94/76/974459476.db2.gz	BGSFRHYPVFQWLE-NCYKPQTJSA-N	1	0	368.477	1.699	20	30		FDEDRO
COC(=O)[C@@]1(NC(=O)c2ccc(C#N)[nH]2)CC[N@H+](Cc2ccccc2)C1	ZINC001199682729	974462191	/nfs/dbraw/zinc/46/21/91/974462191.db2.gz	GGWLMNOJXPISBE-LJQANCHMSA-N	1	0	352.394	1.434	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC([NH2+]CC#Cc3ccc(F)cc3)CC2)C1	ZINC001200620190	974838803	/nfs/dbraw/zinc/83/88/03/974838803.db2.gz	VZFTWBQPDROSHR-DNVCBOLYSA-N	1	0	371.456	1.673	20	30		FDEDRO
COCC#CC[NH2+]C1CCN(C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)CC1	ZINC001200628528	974847081	/nfs/dbraw/zinc/84/70/81/974847081.db2.gz	LNQVXMPWBCPJDJ-IEBWSBKVSA-N	1	0	370.497	1.384	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CCCO1	ZINC001201412340	975034485	/nfs/dbraw/zinc/03/44/85/975034485.db2.gz	ZHBITBRUERVHTH-KSZLIROESA-N	1	0	365.518	1.664	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCc2ccns2)C1	ZINC001201439562	975061369	/nfs/dbraw/zinc/06/13/69/975061369.db2.gz	XGDDYSZJZXHEPU-OIISXLGYSA-N	1	0	365.499	1.484	20	30		FDEDRO
COc1c(C)cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)cc1C	ZINC001110580043	975289422	/nfs/dbraw/zinc/28/94/22/975289422.db2.gz	VDZCXZJFJNZIRZ-ZACQAIPSSA-N	1	0	370.453	1.287	20	30		FDEDRO
COc1cccc([C@@H](C#N)NC(=O)c2ccn(CC[NH+](C)C)n2)c1OC	ZINC000847443124	975631238	/nfs/dbraw/zinc/63/12/38/975631238.db2.gz	AIMHYRXAHTZXFN-OAHLLOKOSA-N	1	0	357.414	1.457	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000652729517	1014282522	/nfs/dbraw/zinc/28/25/22/1014282522.db2.gz	JAGUCFUYIVSXRG-BZSNNMDCSA-N	1	0	365.518	1.936	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)NC(=O)C1CCCC1)C2	ZINC001110590942	975879587	/nfs/dbraw/zinc/87/95/87/975879587.db2.gz	LIAVIGQZILYQTE-DDBAPUKQSA-N	1	0	363.502	1.605	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1	ZINC000847606694	975902096	/nfs/dbraw/zinc/90/20/96/975902096.db2.gz	UKWGHMVXOVJGNG-QZTJIDSGSA-N	1	0	355.438	1.770	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1	ZINC000866774666	976027780	/nfs/dbraw/zinc/02/77/80/976027780.db2.gz	PCXONLOQDOOAJL-YSVLISHTSA-N	1	0	367.446	1.604	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1OC	ZINC000652736630	1014316090	/nfs/dbraw/zinc/31/60/90/1014316090.db2.gz	KMQMYJOGVKINGV-UHFFFAOYSA-N	1	0	361.442	1.106	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccccn2)c1	ZINC000107402879	976390268	/nfs/dbraw/zinc/39/02/68/976390268.db2.gz	AYVJGNRAROZFKT-UHFFFAOYSA-N	1	0	350.422	1.592	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccoc1C(F)(F)F)C2	ZINC001110599736	976481038	/nfs/dbraw/zinc/48/10/38/976481038.db2.gz	HJVWLKVKAFOWAM-RTXFEEFZSA-N	1	0	369.343	1.383	20	30		FDEDRO
C(=[NH+]NCCCn1ccnc1)c1c(N2CCOCC2)nc2ccccn12	ZINC000848419069	976725001	/nfs/dbraw/zinc/72/50/01/976725001.db2.gz	XYXWSSCZSQUBKW-UHFFFAOYSA-N	1	0	353.430	1.381	20	30		FDEDRO
COC(=O)[C@]12C[N@H+](C[C@H](O)COc3ccc(CC#N)cc3)C[C@H]1COCC2	ZINC000796520990	1014356568	/nfs/dbraw/zinc/35/65/68/1014356568.db2.gz	AIVLNYYMKHYIJU-ABSDTBQOSA-N	1	0	374.437	1.004	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@H]1CCCN(c2ncccn2)C1	ZINC000867941094	977120381	/nfs/dbraw/zinc/12/03/81/977120381.db2.gz	BNFSPCPECAWZIO-WMZOPIPTSA-N	1	0	362.437	1.320	20	30		FDEDRO
Cc1cccc(C(=O)NCCNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)c1	ZINC000867945676	977125402	/nfs/dbraw/zinc/12/54/02/977125402.db2.gz	GPCGPXFGPDRIRZ-IBGZPJMESA-N	1	0	362.433	1.600	20	30		FDEDRO
CN(C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)[C@H](CC(N)=O)c1ccccc1	ZINC000867977383	977161390	/nfs/dbraw/zinc/16/13/90/977161390.db2.gz	GFITXHKNDKTXOH-QUCCMNQESA-N	1	0	362.433	1.820	20	30		FDEDRO
C=CCNC(=[NH2+])NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	ZINC000849008423	977289346	/nfs/dbraw/zinc/28/93/46/977289346.db2.gz	GQPAFQSKBLMFPB-UHFFFAOYSA-N	1	0	369.448	1.742	20	30		FDEDRO
CCNC(NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1)=[NH+]CC	ZINC000849006805	977289390	/nfs/dbraw/zinc/28/93/90/977289390.db2.gz	VGOIAYBCUPIMJL-INIZCTEOSA-N	1	0	362.474	1.436	20	30		FDEDRO
C[NH+]=C(NCc1ccco1)NC[C@@H](c1cccs1)N1CCN(C)CC1	ZINC000849044726	977292852	/nfs/dbraw/zinc/29/28/52/977292852.db2.gz	DLSAXDHLCDSSTR-INIZCTEOSA-N	1	0	361.515	1.995	20	30		FDEDRO
C=C(C)CNC(=[NH2+])NCCCC(=O)NC1CCN(C(=O)OCC)CC1	ZINC000849069754	977301699	/nfs/dbraw/zinc/30/16/99/977301699.db2.gz	GHUMAUWAWIOINL-UHFFFAOYSA-N	1	0	353.467	1.194	20	30		FDEDRO
CO[C@@H]1CCC[C@@H]1CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000849076728	977305409	/nfs/dbraw/zinc/30/54/09/977305409.db2.gz	PLBXXDMAGDEKIE-RBSFLKMASA-N	1	0	352.479	1.682	20	30		FDEDRO
CCOCCC[NH+]=C(NCc1cnn(C)n1)NCc1ccc(OC)cc1	ZINC000849076819	977305555	/nfs/dbraw/zinc/30/55/55/977305555.db2.gz	YAIIDHSLDCHBMG-UHFFFAOYSA-N	1	0	360.462	1.486	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1	ZINC000868134396	977313266	/nfs/dbraw/zinc/31/32/66/977313266.db2.gz	KJJSORSXDQWSSN-IMJJTQAJSA-N	1	0	355.398	1.266	20	30		FDEDRO
CCCC[NH+]=C(NCc1ccc(C)cc1)NC[C@]1(O)CCS(=O)(=O)C1	ZINC000849110120	977320206	/nfs/dbraw/zinc/32/02/06/977320206.db2.gz	SUOKDMVFCGHNEL-GOSISDBHSA-N	1	0	367.515	1.380	20	30		FDEDRO
COc1cc2c(cc1OC)CN(C(=O)CCCNC1=[NH+]CCCN1C)CC2	ZINC000849111855	977322854	/nfs/dbraw/zinc/32/28/54/977322854.db2.gz	IUQMMHSCOPWWCM-UHFFFAOYSA-N	1	0	374.485	1.650	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1cc(C)ccc1Br	ZINC000849117519	977330161	/nfs/dbraw/zinc/33/01/61/977330161.db2.gz	IWWSAUOJXYCOJH-UHFFFAOYSA-N	1	0	369.307	1.755	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)CCO1	ZINC000868209578	977347044	/nfs/dbraw/zinc/34/70/44/977347044.db2.gz	KBPRYBVUBQKMBL-LEWSCRJBSA-N	1	0	356.348	1.919	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)cc1	ZINC000868216909	977352920	/nfs/dbraw/zinc/35/29/20/977352920.db2.gz	MAJHBYIQTVYZPU-MOPGFXCFSA-N	1	0	369.469	1.253	20	30		FDEDRO
CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@@]1(C#N)CCCOC1	ZINC000868265990	977416838	/nfs/dbraw/zinc/41/68/38/977416838.db2.gz	MGXRNKLMKFCUQU-OAQYLSRUSA-N	1	0	370.497	1.583	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000868307229	977483487	/nfs/dbraw/zinc/48/34/87/977483487.db2.gz	UKUHIKXPICLSFR-YOWGUQMCSA-N	1	0	359.401	1.423	20	30		FDEDRO
CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1	ZINC000868316538	977493824	/nfs/dbraw/zinc/49/38/24/977493824.db2.gz	LKPUSMSVHRDGSK-GOSISDBHSA-N	1	0	362.433	1.890	20	30		FDEDRO
C[C@@H](CNC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1)C[NH+]1CCN(C)CC1	ZINC000868357918	977527470	/nfs/dbraw/zinc/52/74/70/977527470.db2.gz	JWHSPQJBFNWDTK-HNAYVOBHSA-N	1	0	355.486	1.208	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)cc1	ZINC000108605900	977605072	/nfs/dbraw/zinc/60/50/72/977605072.db2.gz	VEAUMAGVIYGCED-UHFFFAOYSA-N	1	0	357.454	1.874	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccncc2C#N)[C@H](c2cnn(C)c2)C1	ZINC000849546381	977726631	/nfs/dbraw/zinc/72/66/31/977726631.db2.gz	AGBJIBKZEBVLRL-SJORKVTESA-N	1	0	352.442	1.561	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1	ZINC000850648867	978553546	/nfs/dbraw/zinc/55/35/46/978553546.db2.gz	GOCRYUXOCJYIDW-UHFFFAOYSA-N	1	0	374.485	1.476	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1	ZINC000850829983	978687827	/nfs/dbraw/zinc/68/78/27/978687827.db2.gz	YNPFYPNZWZDUIL-QGZVFWFLSA-N	1	0	369.465	1.875	20	30		FDEDRO
COc1cc(C(=O)O[C@@H]2CCCN(c3cc[nH+]c(N)n3)C2)ccc1C#N	ZINC000851000543	978750617	/nfs/dbraw/zinc/75/06/17/978750617.db2.gz	VWOAWCMBFKMOHS-CQSZACIVSA-N	1	0	353.382	1.765	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(c2ncccc2C#N)CC1	ZINC001110630005	978876188	/nfs/dbraw/zinc/87/61/88/978876188.db2.gz	GXAHYFJJDGIHBL-VQIMIIECSA-N	1	0	365.481	1.724	20	30		FDEDRO
COc1cc(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1C#N	ZINC000851636480	978980824	/nfs/dbraw/zinc/98/08/24/978980824.db2.gz	QVZBWPRYUHUTQQ-AWEZNQCLSA-N	1	0	356.348	1.133	20	30		FDEDRO
N#Cc1ccccc1N1CCC[N@@H+](C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000851725416	979017733	/nfs/dbraw/zinc/01/77/33/979017733.db2.gz	BYPOMRPBNVADPN-OAQYLSRUSA-N	1	0	364.449	1.443	20	30		FDEDRO
C#CCOCC[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1	ZINC000851837345	979090042	/nfs/dbraw/zinc/09/00/42/979090042.db2.gz	IYZHDWBJRAHYOC-CQSZACIVSA-N	1	0	356.422	1.951	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCC3(CCCCO3)CC2)CC1	ZINC000880456915	979207403	/nfs/dbraw/zinc/20/74/03/979207403.db2.gz	YFJPFMRRKYBSDK-SFHVURJKSA-N	1	0	362.518	1.714	20	30		FDEDRO
C#C[C@@H](NC(=O)NC[C@@H](C(CC)CC)[NH+]1CCOCC1)C1CCOCC1	ZINC000851943506	979208847	/nfs/dbraw/zinc/20/88/47/979208847.db2.gz	AGCVQCMZEJCDFT-MOPGFXCFSA-N	1	0	365.518	1.851	20	30		FDEDRO
C#CCC1(O)CC[NH+]([C@H](C)C(=O)N2CCC[C@H](C(=O)OCC)C2)CC1	ZINC000880479822	979220529	/nfs/dbraw/zinc/22/05/29/979220529.db2.gz	ZFNBCDMZQHRALD-CVEARBPZSA-N	1	0	350.459	1.027	20	30		FDEDRO
C#CCC1(O)CC[NH+](CC(=O)N2CCN(c3ccccc3F)CC2)CC1	ZINC000880481341	979221630	/nfs/dbraw/zinc/22/16/30/979221630.db2.gz	IEIZTVHTFVCKSI-UHFFFAOYSA-N	1	0	359.445	1.325	20	30		FDEDRO
Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(CCC#N)CCC#N)cn1	ZINC000880520038	979265137	/nfs/dbraw/zinc/26/51/37/979265137.db2.gz	YGCJODMAQYRURL-ZNXRZULTSA-N	1	0	354.458	1.786	20	30		FDEDRO
C#C[C@@](C)(CC)[NH2+]CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC	ZINC000852099684	979349855	/nfs/dbraw/zinc/34/98/55/979349855.db2.gz	CNZQKJHZBXRUDZ-KRWDZBQOSA-N	1	0	366.439	1.960	20	30		FDEDRO
C#C[C@@](C)(CC)[NH2+]CC(=O)NN1C(=O)N[C@@](CC)(c2ccccc2)C1=O	ZINC000852101641	979351251	/nfs/dbraw/zinc/35/12/51/979351251.db2.gz	SSFSEHCIUAQYCC-OALUTQOASA-N	1	0	356.426	1.266	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c1	ZINC000881474448	979967741	/nfs/dbraw/zinc/96/77/41/979967741.db2.gz	AUELDKBUOYMJOC-GOSISDBHSA-N	1	0	356.470	1.997	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000881869235	980234996	/nfs/dbraw/zinc/23/49/96/980234996.db2.gz	VRAOVTKOJBBYJN-GJZGRUSLSA-N	1	0	351.472	1.426	20	30		FDEDRO
C=CCCc1ccc(S(=O)(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cc1	ZINC000881928196	980298114	/nfs/dbraw/zinc/29/81/14/980298114.db2.gz	IIFBBBGQXYGWGM-MRXNPFEDSA-N	1	0	351.516	1.719	20	30		FDEDRO
N#Cc1nc(N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)sc1Cl	ZINC000882814634	981706320	/nfs/dbraw/zinc/70/63/20/981706320.db2.gz	QBPSADVKZOYQGV-UHFFFAOYSA-N	1	0	353.879	1.978	20	30		FDEDRO
C=C(C)C[C@H](CO)NC(=O)c1nnn(-c2cccc3c2CC[N@@H+](C)C3)c1C	ZINC000882894113	981781100	/nfs/dbraw/zinc/78/11/00/981781100.db2.gz	IZCPGJKNPXDPDE-MRXNPFEDSA-N	1	0	369.469	1.621	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)cc1	ZINC000858243038	981937877	/nfs/dbraw/zinc/93/78/77/981937877.db2.gz	AJFFXJBNDRLKRF-GOEBONIOSA-N	1	0	363.425	1.784	20	30		FDEDRO
C=CCC[C@@H]([NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)[C@@H]1CCCO1	ZINC000883184089	982001463	/nfs/dbraw/zinc/00/14/63/982001463.db2.gz	PBJCGBZTZMZTDN-MSOLQXFVSA-N	1	0	373.501	1.619	20	30		FDEDRO
C=CCC[C@@H](COc1ccccc1)[NH2+]Cc1nnc2c(=O)n(C)ccn12	ZINC000883337845	982084368	/nfs/dbraw/zinc/08/43/68/982084368.db2.gz	ODVCGSVEKSXPOL-HNNXBMFYSA-N	1	0	353.426	1.931	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC([NH3+])(CC)CC2)c1	ZINC000883484591	982207536	/nfs/dbraw/zinc/20/75/36/982207536.db2.gz	WWAANEAXXNCQEV-UHFFFAOYSA-N	1	0	351.472	1.494	20	30		FDEDRO
C=CCOCCNC(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000883561050	982267318	/nfs/dbraw/zinc/26/73/18/982267318.db2.gz	XOBNWQUIPKGOGR-UHFFFAOYSA-N	1	0	361.486	1.905	20	30		FDEDRO
CC[N@@H+]1CC[C@@H]1CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000883601806	982299117	/nfs/dbraw/zinc/29/91/17/982299117.db2.gz	GTOUFBUDKJRKRJ-SJORKVTESA-N	1	0	355.442	1.053	20	30		FDEDRO
C#C[C@@H](NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)C(C)(C)C	ZINC000883648634	982344446	/nfs/dbraw/zinc/34/44/46/982344446.db2.gz	ALZZCMNEPAUUTD-IAGOWNOFSA-N	1	0	350.507	1.130	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1	ZINC000859023997	982464277	/nfs/dbraw/zinc/46/42/77/982464277.db2.gz	AVMOEIOPLPULKU-BPQIPLTHSA-N	1	0	351.491	1.482	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C	ZINC000859028328	982466592	/nfs/dbraw/zinc/46/65/92/982466592.db2.gz	OCSFTYQXBCLVDL-CVEARBPZSA-N	1	0	363.458	1.644	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1	ZINC000859033751	982469844	/nfs/dbraw/zinc/46/98/44/982469844.db2.gz	JNXIGNFTCVWVJJ-SFHVURJKSA-N	1	0	351.491	1.559	20	30		FDEDRO
C=CCNC(=O)CN1CC[NH+](CCC2CN(C(=O)OC(C)(C)C)C2)CC1	ZINC000859051006	982482184	/nfs/dbraw/zinc/48/21/84/982482184.db2.gz	WRGXYCUKYYPZPL-UHFFFAOYSA-N	1	0	366.506	1.163	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2cc3c(cc2OC(F)F)OCO3)CC1	ZINC000133068058	982584694	/nfs/dbraw/zinc/58/46/94/982584694.db2.gz	VHVDSNPUNISDDZ-UHFFFAOYSA-N	1	0	366.364	1.978	20	30		FDEDRO
C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1ccc2c(c1)CC(=O)N2C	ZINC000859231488	982633919	/nfs/dbraw/zinc/63/39/19/982633919.db2.gz	HDGIWDPRXPUBOP-RHSMWYFYSA-N	1	0	357.454	1.927	20	30		FDEDRO
COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000859302021	982696027	/nfs/dbraw/zinc/69/60/27/982696027.db2.gz	LVNZOLTVIRFKNT-SWLSCSKDSA-N	1	0	364.364	1.485	20	30		FDEDRO
C=CCNC(=O)c1ccccc1NC(=O)c1ccnc(N2CC[NH2+]CC2)c1	ZINC000884054894	982774697	/nfs/dbraw/zinc/77/46/97/982774697.db2.gz	UXXPQGMVNBUWGQ-UHFFFAOYSA-N	1	0	365.437	1.659	20	30		FDEDRO
Cc1ccc(C(=O)N2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CC2)cc1	ZINC000884070452	982817757	/nfs/dbraw/zinc/81/77/57/982817757.db2.gz	MBYDNQKVTLWBRC-IDYZSHNDSA-N	1	0	366.465	1.419	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1cccc(CN3CCCC3=O)c1)C2	ZINC000884080493	982835359	/nfs/dbraw/zinc/83/53/59/982835359.db2.gz	XSDJDXIGJQNFBW-NGEICVOHSA-N	1	0	352.438	1.887	20	30		FDEDRO
CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)o1	ZINC000958382822	1014884167	/nfs/dbraw/zinc/88/41/67/1014884167.db2.gz	RPRAXYXIAJTXBR-IIAWOOMASA-N	1	0	360.458	1.858	20	30		FDEDRO
COc1ccc(-n2ccc(CNC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)n2)cc1	ZINC000884100980	982867035	/nfs/dbraw/zinc/86/70/35/982867035.db2.gz	KTEDQHRURMQUHA-RDYUPDBUSA-N	1	0	365.437	1.636	20	30		FDEDRO
Cc1ccc(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c(OCC(=O)N(C)C)c1	ZINC000884100910	982867223	/nfs/dbraw/zinc/86/72/23/982867223.db2.gz	IXWFJKOIMPIJIV-CHWWFWEZSA-N	1	0	370.453	1.540	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(N3CCCCC3=O)cc1)C2	ZINC000884102757	982869955	/nfs/dbraw/zinc/86/99/55/982869955.db2.gz	MJDQUZWVEAHURQ-BATSVXPKSA-N	1	0	366.465	1.959	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)C2	ZINC001110774488	982881498	/nfs/dbraw/zinc/88/14/98/982881498.db2.gz	OJPARCIEPXCFAN-OAGGEKHMSA-N	1	0	360.458	1.417	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)N[C@H](c2nnc3ccccn32)C(C)C)C1	ZINC000884115356	982891671	/nfs/dbraw/zinc/89/16/71/982891671.db2.gz	OYYACLFNOGVSMM-RDJZCZTQSA-N	1	0	354.458	1.823	20	30		FDEDRO
CN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[C@H]1CCN(c2ccccc2)C1=O	ZINC000884126455	982907685	/nfs/dbraw/zinc/90/76/85/982907685.db2.gz	AKUDCJHNZZRTHU-GLEGPSONSA-N	1	0	352.438	1.390	20	30		FDEDRO
COC(=O)CC[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccccc1	ZINC000884128554	982910087	/nfs/dbraw/zinc/91/00/87/982910087.db2.gz	HCBSCVLMTDRGMF-ASPXRTSYSA-N	1	0	355.438	1.936	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCCN(c3ccccc3)C1=O)C2	ZINC000884139515	982922264	/nfs/dbraw/zinc/92/22/64/982922264.db2.gz	UPSZKARUWQEYLC-RHELOZEPSA-N	1	0	352.438	1.438	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C(=O)N1c1ccccc1	ZINC000884157084	982933978	/nfs/dbraw/zinc/93/39/78/982933978.db2.gz	SDGXCHAUJGQQPA-LOZLMJHJSA-N	1	0	352.438	1.436	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000884199438	982975371	/nfs/dbraw/zinc/97/53/71/982975371.db2.gz	ZAMRJWIWGPOQCF-ROUUACIJSA-N	1	0	359.470	1.461	20	30		FDEDRO
COc1cccc(N2CC[C@H](NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)C2)c1	ZINC000884210281	982986540	/nfs/dbraw/zinc/98/65/40/982986540.db2.gz	VNGXZKGEQMBCLI-SIRSKZSMSA-N	1	0	354.454	1.529	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000884223390	982997311	/nfs/dbraw/zinc/99/73/11/982997311.db2.gz	PKDRKMRPTQGKBI-NJAFHUGGSA-N	1	0	359.470	1.460	20	30		FDEDRO
CCN(C[C@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1)CC(F)(F)F	ZINC000884230223	983003667	/nfs/dbraw/zinc/00/36/67/983003667.db2.gz	MKVIFZNOGBARMX-GJEMEMOUSA-N	1	0	372.435	1.858	20	30		FDEDRO
COc1ccc(N2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CC2)cc1F	ZINC000884233646	983008335	/nfs/dbraw/zinc/00/83/35/983008335.db2.gz	UGGSQRKOXNHSNT-RDYUPDBUSA-N	1	0	372.444	1.622	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)C1	ZINC000884242185	983020756	/nfs/dbraw/zinc/02/07/56/983020756.db2.gz	OKBYYUUCWPZUBP-OALUTQOASA-N	1	0	368.481	1.432	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N(Cc1ccncc1)C[C@H]1CCCO1)C2	ZINC000884308368	983072740	/nfs/dbraw/zinc/07/27/40/983072740.db2.gz	NSDLROCZDKGHPL-AGYKMIKPSA-N	1	0	354.454	1.729	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCO[C@@H](CCc3ccccc3)C1)C2	ZINC000884313064	983076641	/nfs/dbraw/zinc/07/66/41/983076641.db2.gz	VLIRKWKEAFEUGG-LSNYBQGISA-N	1	0	353.466	1.986	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCN(Cc3ccc(F)cc3)C1=O)C2	ZINC000884322441	983083782	/nfs/dbraw/zinc/08/37/82/983083782.db2.gz	MYKJWDLFWLXIEL-KLRDNXEFSA-N	1	0	370.428	1.182	20	30		FDEDRO
CC(=O)N1CC[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c2ccccc21	ZINC000884326551	983087678	/nfs/dbraw/zinc/08/76/78/983087678.db2.gz	WKKMUUGEZTZPMF-RHELOZEPSA-N	1	0	352.438	1.740	20	30		FDEDRO
CS(=O)(=O)C[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccccc1	ZINC000884326742	983087842	/nfs/dbraw/zinc/08/78/42/983087842.db2.gz	AFEUWFLMCWBXLJ-BNQMIIOLSA-N	1	0	361.467	1.028	20	30		FDEDRO
COC(=O)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccc(F)cc1	ZINC000884334994	983093952	/nfs/dbraw/zinc/09/39/52/983093952.db2.gz	HUPUXSRSVCPRSO-RGUMBQAQSA-N	1	0	359.401	1.338	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1	ZINC000889309726	983100483	/nfs/dbraw/zinc/10/04/83/983100483.db2.gz	JNOJXTFZIOUSFD-UHFFFAOYSA-N	1	0	366.506	1.258	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NCc2ccncc2OCCC[NH+](C)C)C1	ZINC000884354738	983110507	/nfs/dbraw/zinc/11/05/07/983110507.db2.gz	YMUGSGKGLZCSAI-GOSISDBHSA-N	1	0	373.501	1.309	20	30		FDEDRO
CN1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)[C@H](Cc2ccccc2)C1	ZINC000884386860	983132001	/nfs/dbraw/zinc/13/20/01/983132001.db2.gz	BKTUEHPZINVZFE-XTBIFASLSA-N	1	0	352.482	1.511	20	30		FDEDRO
Cc1cnc(OC2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CC2)nc1	ZINC000884390153	983133732	/nfs/dbraw/zinc/13/37/32/983133732.db2.gz	OGIGXVKWVIOMFC-HVEKOLDVSA-N	1	0	355.442	1.294	20	30		FDEDRO
C[C@@H](C[N@H+](C)C[C@@H](O)CC1(C#N)CCOCC1)NC(=O)OC(C)(C)C	ZINC000860100963	983235757	/nfs/dbraw/zinc/23/57/57/983235757.db2.gz	PTSXVSZPFLVUCV-GJZGRUSLSA-N	1	0	355.479	1.903	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)c(F)c1	ZINC000884585739	983261641	/nfs/dbraw/zinc/26/16/41/983261641.db2.gz	SMBLYXHEULUVNE-KRWDZBQOSA-N	1	0	366.396	1.144	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)c1cccc(C#N)c1	ZINC000884616848	983279045	/nfs/dbraw/zinc/27/90/45/983279045.db2.gz	CWFBVVYAIRZCRQ-FZMZJTMJSA-N	1	0	350.369	1.096	20	30		FDEDRO
C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C[C@H]21	ZINC000861912327	983989893	/nfs/dbraw/zinc/98/98/93/983989893.db2.gz	PHWPVRXYMCERLP-LJISPDSOSA-N	1	0	350.463	1.592	20	30		FDEDRO
CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1	ZINC000862551238	984410088	/nfs/dbraw/zinc/41/00/88/984410088.db2.gz	KLDOWPBXBRRCHP-KRWDZBQOSA-N	1	0	364.515	1.798	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)cc1	ZINC000884730336	984736276	/nfs/dbraw/zinc/73/62/76/984736276.db2.gz	GOVXQTZQGMDYGN-FQEVSTJZSA-N	1	0	354.454	1.361	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1	ZINC000884855468	984892571	/nfs/dbraw/zinc/89/25/71/984892571.db2.gz	HLKSBZRVEBMTPF-DLBZAZTESA-N	1	0	365.518	1.840	20	30		FDEDRO
C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cccc(C#N)c2C1	ZINC000869166924	984921249	/nfs/dbraw/zinc/92/12/49/984921249.db2.gz	ZYHIKIQNFMMNFL-INIZCTEOSA-N	1	0	358.442	1.855	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1	ZINC000885097196	985172665	/nfs/dbraw/zinc/17/26/65/985172665.db2.gz	TVJCFIQFIUHCFC-UHFFFAOYSA-N	1	0	350.488	1.595	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2	ZINC000885137882	985197720	/nfs/dbraw/zinc/19/77/20/985197720.db2.gz	KOALZIMCFGCGIE-ZACQAIPSSA-N	1	0	363.502	1.512	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1	ZINC000869782536	985340116	/nfs/dbraw/zinc/34/01/16/985340116.db2.gz	PMSVPTYNWPZXLU-WMZOPIPTSA-N	1	0	359.470	1.923	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1	ZINC000885859116	985705601	/nfs/dbraw/zinc/70/56/01/985705601.db2.gz	UPJLHAVYWKHULU-INIZCTEOSA-N	1	0	372.469	1.578	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)cnc1C(F)(F)F	ZINC000885885747	985752496	/nfs/dbraw/zinc/75/24/96/985752496.db2.gz	KPURFPHPFJIREL-AWEZNQCLSA-N	1	0	368.359	1.955	20	30		FDEDRO
C[C@H](C(=O)N1Cc2ccccc2C2(CC[NH+](C)CC2)C1)n1cnc(C#N)n1	ZINC000870186176	985781565	/nfs/dbraw/zinc/78/15/65/985781565.db2.gz	ZNCAPAIHQCOJSW-OAHLLOKOSA-N	1	0	364.453	1.717	20	30		FDEDRO
CN1CCN(C(=O)CC2CC[NH+](C[C@H](O)CC3(C#N)CCC3)CC2)CC1	ZINC000886065010	985856781	/nfs/dbraw/zinc/85/67/81/985856781.db2.gz	NCUHYMOWTVJCCK-GOSISDBHSA-N	1	0	362.518	1.307	20	30		FDEDRO
CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)C[C@H](O)CC2(C#N)CCC2)CC1	ZINC000886207779	985971514	/nfs/dbraw/zinc/97/15/14/985971514.db2.gz	MADCOUVZRFEDJO-DOTOQJQBSA-N	1	0	371.547	1.813	20	30		FDEDRO
C=CCOc1ccc(C[NH2+]CCc2nnc3c(=O)n(C)ccn23)cc1OC	ZINC000886285266	986023096	/nfs/dbraw/zinc/02/30/96/986023096.db2.gz	CUXAGSGCLJPFDD-UHFFFAOYSA-N	1	0	369.425	1.334	20	30		FDEDRO
C#CC[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1	ZINC000886361809	986099722	/nfs/dbraw/zinc/09/97/22/986099722.db2.gz	WOCHHPVVQMIOGQ-GOSISDBHSA-N	1	0	369.465	1.120	20	30		FDEDRO
C#CCN(C(=O)Cc1csc(N2CCOCC2)n1)C1CC[NH+](C)CC1	ZINC000886575603	986376455	/nfs/dbraw/zinc/37/64/55/986376455.db2.gz	BGJJBODUKBKHSX-UHFFFAOYSA-N	1	0	362.499	1.078	20	30		FDEDRO
C#CCN(C(=O)c1cc(S(=O)(=O)N(C)C)oc1C)C1CC[NH+](C)CC1	ZINC000886580193	986381276	/nfs/dbraw/zinc/38/12/76/986381276.db2.gz	ZJSFPJHFPPKHBM-UHFFFAOYSA-N	1	0	367.471	1.008	20	30		FDEDRO
C#CCN(C(=O)C=CC(=O)Nc1ccc2n[nH]cc2c1)C1CC[NH+](C)CC1	ZINC000886579679	986381585	/nfs/dbraw/zinc/38/15/85/986381585.db2.gz	DWTSOCQPUMJFQO-SREVYHEPSA-N	1	0	365.437	1.614	20	30		FDEDRO
C#CCN(C(=O)c1ccc(N2CCNC2=O)c(C)c1)C1CC[NH+](C)CC1	ZINC000886583391	986387040	/nfs/dbraw/zinc/38/70/40/986387040.db2.gz	OOQJIHMXOJAKCL-UHFFFAOYSA-N	1	0	354.454	1.694	20	30		FDEDRO
C#CCN(C(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)C1CC[NH+](C)CC1	ZINC000886587393	986393036	/nfs/dbraw/zinc/39/30/36/986393036.db2.gz	URUQXFOWSGRACS-QRWLVFNGSA-N	1	0	374.485	1.043	20	30		FDEDRO
N#CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cncnc2)C3)cc1	ZINC001095342986	986423851	/nfs/dbraw/zinc/42/38/51/986423851.db2.gz	GLLDIWISHKRVAK-NEWSRXKRSA-N	1	0	363.421	1.914	20	30		FDEDRO
N#CCc1ccsc1C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000870852935	986432787	/nfs/dbraw/zinc/43/27/87/986432787.db2.gz	OHILYKSGZADFLD-HIFRSBDPSA-N	1	0	360.483	1.535	20	30		FDEDRO
C[C@H]([NH2+]CCc1nnc2c(=O)n(C)ccn12)c1ccc(OCC#N)cc1	ZINC000886699013	986483525	/nfs/dbraw/zinc/48/35/25/986483525.db2.gz	RIPNLVJTPYRRAL-ZDUSSCGKSA-N	1	0	352.398	1.224	20	30		FDEDRO
C=CCC1(O)CC[NH+](CC(=O)N2CCc3cc(OC)c(OC)cc3C2)CC1	ZINC000886755941	986555076	/nfs/dbraw/zinc/55/50/76/986555076.db2.gz	WZTQEZVWNAANED-UHFFFAOYSA-N	1	0	374.481	1.992	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N[C@H]1COc2cccc(Br)c2C1	ZINC000871008172	986589824	/nfs/dbraw/zinc/58/98/24/986589824.db2.gz	PTQYIOOHPDRDAO-MFKMUULPSA-N	1	0	352.232	1.890	20	30		FDEDRO
COC(=O)C1CC2(C1)C[N@H+](CCO[C@@H](C)C#N)C[C@H]2C(=O)OC(C)(C)C	ZINC000886883837	986687596	/nfs/dbraw/zinc/68/75/96/986687596.db2.gz	NUBYBJPWSBODJF-RQMAVPSVSA-N	1	0	366.458	1.758	20	30		FDEDRO
N#Cc1ccc(Cn2cc(NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)cn2)cc1	ZINC000871183161	986770399	/nfs/dbraw/zinc/77/03/99/986770399.db2.gz	VMZLXZXYOQIMKW-SFHVURJKSA-N	1	0	350.426	1.131	20	30		FDEDRO
C(=[NH+]OCc1cn(C[C@@H]2CCOC2)nn1)c1ccc(N2CCOCC2)cc1	ZINC000871724568	987209353	/nfs/dbraw/zinc/20/93/53/987209353.db2.gz	YXJBENVQSZFLLF-KRWDZBQOSA-N	1	0	371.441	1.702	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c(C#N)c1	ZINC000871805064	987250403	/nfs/dbraw/zinc/25/04/03/987250403.db2.gz	MHUWNZPMGRHXRU-ZACQAIPSSA-N	1	0	363.483	1.916	20	30		FDEDRO
C#CCC[NH+]1CCC(NS(=O)(=O)c2cnn(C)c2C(F)(F)F)CC1	ZINC000872006176	987438017	/nfs/dbraw/zinc/43/80/17/987438017.db2.gz	AGZZZMQBLZARLO-UHFFFAOYSA-N	1	0	364.393	1.205	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1	ZINC000872186769	987487740	/nfs/dbraw/zinc/48/77/40/987487740.db2.gz	NJQGZWCJMBNQJO-KBPBESRZSA-N	1	0	368.359	1.112	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1	ZINC000872192612	987497885	/nfs/dbraw/zinc/49/78/85/987497885.db2.gz	YBOBLABGMNBXKB-GXTWGEPZSA-N	1	0	373.375	1.432	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C	ZINC000872223205	987525031	/nfs/dbraw/zinc/52/50/31/987525031.db2.gz	OCXHDGITTSZTBV-CVEARBPZSA-N	1	0	368.522	1.818	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CC3(CO2)CCOCC3)cc1	ZINC000872230520	987530437	/nfs/dbraw/zinc/53/04/37/987530437.db2.gz	DESYZAKAOIWPOA-IEBWSBKVSA-N	1	0	360.454	1.668	20	30		FDEDRO
COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H]2Cc3ccc(C#N)cc3C2)cc1	ZINC000872238762	987535519	/nfs/dbraw/zinc/53/55/19/987535519.db2.gz	JXOJKMAJRIGEDJ-RTBURBONSA-N	1	0	366.417	1.842	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[N@@H+]2CCNC(=O)CC23CCOCC3)cc1	ZINC000872285804	987571656	/nfs/dbraw/zinc/57/16/56/987571656.db2.gz	HXFXNUOKTVREKV-UHFFFAOYSA-N	1	0	356.426	1.258	20	30		FDEDRO
C[C@@H]1C(N=Nc2ccc(S(=O)(=O)N3CCCCC3)cn2)CC[N@@H+]1C	ZINC000872335888	987609463	/nfs/dbraw/zinc/60/94/63/987609463.db2.gz	ZQUQEYXXONSYMQ-CYBMUJFWSA-N	1	0	351.476	1.748	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2ccc(C)cc2C#N)CC1	ZINC000872475201	987699902	/nfs/dbraw/zinc/69/99/02/987699902.db2.gz	KQDKPQGWUTZRHD-OAHLLOKOSA-N	1	0	350.488	1.171	20	30		FDEDRO
C[C@H](C#N)CN(C)C(=O)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1	ZINC000298865523	987918583	/nfs/dbraw/zinc/91/85/83/987918583.db2.gz	YBFBXFKGYQRIMB-GOSISDBHSA-N	1	0	370.497	1.772	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+][C@@H]3CCN(C4CCOCC4)C3=O)CC2)cc1	ZINC000360419527	988024102	/nfs/dbraw/zinc/02/41/02/988024102.db2.gz	QGHZIDZGBGEGBT-HXUWFJFHSA-N	1	0	368.481	1.897	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1	ZINC000299000777	988024383	/nfs/dbraw/zinc/02/43/83/988024383.db2.gz	HFULFGHMMSMWFX-IBGZPJMESA-N	1	0	368.481	1.873	20	30		FDEDRO
N#Cc1ccc(N2CC[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2)cn1	ZINC000872793416	988070125	/nfs/dbraw/zinc/07/01/25/988070125.db2.gz	WIKJLXCPXFTXJL-SFHVURJKSA-N	1	0	352.394	1.407	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1	ZINC000299225815	988250514	/nfs/dbraw/zinc/25/05/14/988250514.db2.gz	XKKALYLEYNDUMZ-LJQANCHMSA-N	1	0	368.481	1.873	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+](C)C[C@@H](O)COc2ccc(CCOC)cc2)C1=O	ZINC000294239748	988353964	/nfs/dbraw/zinc/35/39/64/988353964.db2.gz	UCDUJXDZVKYDJA-IEBWSBKVSA-N	1	0	362.470	1.334	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)CC1	ZINC000366116476	988428203	/nfs/dbraw/zinc/42/82/03/988428203.db2.gz	JEEBURARWUZPRQ-VQIMIIECSA-N	1	0	373.501	1.486	20	30		FDEDRO
C=CCCn1cc(C[N@@H+](C)[C@@H](C)C2CCN(S(=O)(=O)CC)CC2)nn1	ZINC000653676650	1015392597	/nfs/dbraw/zinc/39/25/97/1015392597.db2.gz	SZQPRHQAOITICU-HNNXBMFYSA-N	1	0	369.535	1.736	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)NCCCC[NH+]1CCC(C(N)=O)CC1	ZINC000299457675	988499813	/nfs/dbraw/zinc/49/98/13/988499813.db2.gz	YGYNEOBBZOXWIK-UHFFFAOYSA-N	1	0	357.458	1.966	20	30		FDEDRO
N#CCOc1ccc(/C=C/C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1	ZINC000366192736	988525345	/nfs/dbraw/zinc/52/53/45/988525345.db2.gz	PGKGDORRSKIZEW-PXPSOEEZSA-N	1	0	355.438	1.972	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1Cl	ZINC000873102838	988550132	/nfs/dbraw/zinc/55/01/32/988550132.db2.gz	AZYAMCVSAZCDTJ-KOLCDFICSA-N	1	0	374.750	1.746	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cn2ccnc12	ZINC000294837932	988550324	/nfs/dbraw/zinc/55/03/24/988550324.db2.gz	ROAAQKZPTFXQMM-UHFFFAOYSA-N	1	0	356.430	1.275	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1	ZINC000873105598	988561449	/nfs/dbraw/zinc/56/14/49/988561449.db2.gz	ZHSYKYQJPSTYEU-BXUZGUMPSA-N	1	0	371.359	1.786	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1	ZINC000873106974	988566494	/nfs/dbraw/zinc/56/64/94/988566494.db2.gz	LFMDZZQABNRZOC-NWDGAFQWSA-N	1	0	354.332	1.401	20	30		FDEDRO
C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)Nc1ccccc1SCCC#N)C2	ZINC000873107554	988569536	/nfs/dbraw/zinc/56/95/36/988569536.db2.gz	UAOFDYOTTMRHGJ-SCLBCKFNSA-N	1	0	358.467	1.699	20	30		FDEDRO
C[C@@H]1CN(CC(=O)NC2(C#N)CCCCC2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000362079215	988575931	/nfs/dbraw/zinc/57/59/31/988575931.db2.gz	OZERTGPFUMRDPI-QZTJIDSGSA-N	1	0	361.534	1.287	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1	ZINC000366418251	988686543	/nfs/dbraw/zinc/68/65/43/988686543.db2.gz	BCRZQDQJRCIVQH-WQVCFCJDSA-N	1	0	372.400	1.055	20	30		FDEDRO
Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1C	ZINC000366447697	988702986	/nfs/dbraw/zinc/70/29/86/988702986.db2.gz	USXMAESLHGHRJC-DLBZAZTESA-N	1	0	368.437	1.145	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1	ZINC000366704442	988752118	/nfs/dbraw/zinc/75/21/18/988752118.db2.gz	RBJCAOCIBGADDR-SCTDSRPQSA-N	1	0	364.534	1.778	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)CC1	ZINC000362889036	988765575	/nfs/dbraw/zinc/76/55/75/988765575.db2.gz	OPJUAUMYOCGMMB-HXUWFJFHSA-N	1	0	367.497	1.641	20	30		FDEDRO
COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000363117588	988933192	/nfs/dbraw/zinc/93/31/92/988933192.db2.gz	ITUSKVZTJQSDIO-IAGOWNOFSA-N	1	0	373.453	1.705	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccco2)C1	ZINC000367213228	988941144	/nfs/dbraw/zinc/94/11/44/988941144.db2.gz	MSWGMAMFMSOEPE-JKSUJKDBSA-N	1	0	360.458	1.730	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1C#N	ZINC000873663691	988955654	/nfs/dbraw/zinc/95/56/54/988955654.db2.gz	JHCBZLKLLRBEGE-HUUCEWRRSA-N	1	0	372.469	1.990	20	30		FDEDRO
N#Cc1cc([N+](=O)[O-])cnc1NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1	ZINC000363163180	988966305	/nfs/dbraw/zinc/96/63/05/988966305.db2.gz	UBNUXFZLKGZDGZ-NVXWUHKLSA-N	1	0	353.382	1.909	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C#N	ZINC000873689455	988996272	/nfs/dbraw/zinc/99/62/72/988996272.db2.gz	WWFDDYOCNZAUDG-QLFBSQMISA-N	1	0	372.469	1.988	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNC(=O)[C@]2(C#N)CCc3ccccc3C2)CC1	ZINC000368586949	988998968	/nfs/dbraw/zinc/99/89/68/988998968.db2.gz	AMRGLERTZLGBMZ-LAUBAEHRSA-N	1	0	354.498	1.827	20	30		FDEDRO
C[C@@H]1C[C@H](CNC(=O)N2CCN(C)[C@@H](C#N)C2)C[N@@H+]1Cc1ccccc1	ZINC000368707483	989005670	/nfs/dbraw/zinc/00/56/70/989005670.db2.gz	QVRHCHGBUDLAAA-QRQLOZEOSA-N	1	0	355.486	1.746	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(C3N=NC(=S)N3C3CC3)CC2)CC1	ZINC000363221185	989007781	/nfs/dbraw/zinc/00/77/81/989007781.db2.gz	NTZXVFPFBXVGCN-UHFFFAOYSA-N	1	0	373.526	1.953	20	30		FDEDRO
C=CCNC(=O)CNC(=O)[C@H]1CC[N@H+](C[C@H]2CCCc3ccccc32)C1	ZINC000368826410	989010363	/nfs/dbraw/zinc/01/03/63/989010363.db2.gz	QXMIYSVSEZRFHQ-MSOLQXFVSA-N	1	0	355.482	1.847	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N1CCN(C)[C@@H](C#N)C1	ZINC000368816350	989011114	/nfs/dbraw/zinc/01/11/14/989011114.db2.gz	JYDJCMWRPPZDEM-BPQIPLTHSA-N	1	0	356.474	1.141	20	30		FDEDRO
C[NH+](C)Cc1cc(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1F	ZINC000369337912	989046210	/nfs/dbraw/zinc/04/62/10/989046210.db2.gz	LORQYYLCVGZASE-KRWDZBQOSA-N	1	0	359.449	1.769	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(C(=O)N(CC)CC)cc1	ZINC000296223073	989051485	/nfs/dbraw/zinc/05/14/85/989051485.db2.gz	FVTCJZDPORGXLM-UHFFFAOYSA-N	1	0	358.486	1.923	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1	ZINC000363326835	989094313	/nfs/dbraw/zinc/09/43/13/989094313.db2.gz	DPGDXTGZRUQXAB-CQSZACIVSA-N	1	0	359.430	1.052	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCc1ccc(C)cc1O[C@H]1CCOC1	ZINC000296318747	989118985	/nfs/dbraw/zinc/11/89/85/989118985.db2.gz	GAAMAVTTWLOASA-SFHVURJKSA-N	1	0	359.470	1.917	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCc1nccn1CCc1ccccc1	ZINC000296336983	989130048	/nfs/dbraw/zinc/13/00/48/989130048.db2.gz	FKWOUWCQMBOUOE-UHFFFAOYSA-N	1	0	353.470	1.880	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(OC)c(C#N)c2)C[C@@H]1C	ZINC000873759777	989132827	/nfs/dbraw/zinc/13/28/27/989132827.db2.gz	CXMGLZGTGSMQIN-BBRMVZONSA-N	1	0	358.442	1.837	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCCN2C(=O)[C@@H]2CCCO2)CC1	ZINC000369757370	989148798	/nfs/dbraw/zinc/14/87/98/989148798.db2.gz	LQGQLABREBYLAF-MSOLQXFVSA-N	1	0	361.486	1.150	20	30		FDEDRO
C#CCN(CC#C)C(=O)c1nnn(-c2cccc3c2CC[N@@H+](CC)C3)c1C	ZINC000369825692	989217637	/nfs/dbraw/zinc/21/76/37/989217637.db2.gz	YVXSGEAINLRXNQ-UHFFFAOYSA-N	1	0	361.449	1.662	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)C(=O)Nc1cccc(C#N)c1	ZINC000363539593	989279050	/nfs/dbraw/zinc/27/90/50/989279050.db2.gz	MQGGOASMQWPLLO-FHLIZLRMSA-N	1	0	370.453	1.502	20	30		FDEDRO
C#C[C@@H](CCC)NC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(F)c1	ZINC000873848555	989320155	/nfs/dbraw/zinc/32/01/55/989320155.db2.gz	ZQGNOKLYUPSGQD-HNNXBMFYSA-N	1	0	374.460	1.824	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)cc1C#N	ZINC000873848656	989320174	/nfs/dbraw/zinc/32/01/74/989320174.db2.gz	NCHBPSJBJWAFIY-UHFFFAOYSA-N	1	0	358.442	1.744	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cc(C#N)cn3C(C)(C)C)C[C@@H]21	ZINC000363664493	989378721	/nfs/dbraw/zinc/37/87/21/989378721.db2.gz	JIXFEZKGTLJUSK-GJZGRUSLSA-N	1	0	357.458	1.606	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1C#N	ZINC000873880914	989382423	/nfs/dbraw/zinc/38/24/23/989382423.db2.gz	WKVNRCUPMZTZTI-CJNGLKHVSA-N	1	0	356.426	1.591	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCCN2C(=O)c2cccnc2)CC1	ZINC000370027083	989398062	/nfs/dbraw/zinc/39/80/62/989398062.db2.gz	PGXWBZZRQOOASS-LJQANCHMSA-N	1	0	368.481	1.680	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCCN(c2ncccc2C#N)CC1	ZINC000363969103	989467899	/nfs/dbraw/zinc/46/78/99/989467899.db2.gz	XTAVUJCYLCEWPL-YJBOKZPZSA-N	1	0	368.485	1.658	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)C1CCN(Cc2cc(C)no2)CC1	ZINC000370170976	989514200	/nfs/dbraw/zinc/51/42/00/989514200.db2.gz	WKWPMDDGBDILLN-OAHLLOKOSA-N	1	0	361.490	1.887	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)N2CC3(C2)C[NH+](Cc2ccccc2)C3)c1	ZINC000873973566	989555928	/nfs/dbraw/zinc/55/59/28/989555928.db2.gz	VDXPBBKGFCMMIA-UHFFFAOYSA-N	1	0	360.417	1.841	20	30		FDEDRO
CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)c1ccc(C#N)nc1	ZINC000364654068	989701019	/nfs/dbraw/zinc/70/10/19/989701019.db2.gz	JOIOTZOSQDGUTQ-MAUKXSAKSA-N	1	0	352.442	1.842	20	30		FDEDRO
C#CCN(C)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1	ZINC000297937082	989784693	/nfs/dbraw/zinc/78/46/93/989784693.db2.gz	TXGGOTXTVKABFO-OALUTQOASA-N	1	0	353.466	1.591	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3cccc(OCCCC#N)c3)CC[C@@H]21	ZINC000874169058	989851490	/nfs/dbraw/zinc/85/14/90/989851490.db2.gz	BXXMKJRVLVZCSS-YJBOKZPZSA-N	1	0	370.453	1.860	20	30		FDEDRO
Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N(CCC#N)CCC[NH+](C)C)C2=O	ZINC000298145839	989922029	/nfs/dbraw/zinc/92/20/29/989922029.db2.gz	OTPYLJISOMXUAK-OAHLLOKOSA-N	1	0	370.453	1.674	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCc1nc(COc2ccccc2)n[nH]1	ZINC000298192783	989951791	/nfs/dbraw/zinc/95/17/91/989951791.db2.gz	FBQNDZBREPTOAD-UHFFFAOYSA-N	1	0	356.430	1.138	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C	ZINC000874364674	990178886	/nfs/dbraw/zinc/17/88/86/990178886.db2.gz	NDSIWGPDDOFULJ-IAGOWNOFSA-N	1	0	370.453	1.979	20	30		FDEDRO
C#C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1	ZINC000874374023	990211903	/nfs/dbraw/zinc/21/19/03/990211903.db2.gz	NPWQPPNTLQZJAG-QAQDUYKDSA-N	1	0	368.481	1.685	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1	ZINC000371119956	990262305	/nfs/dbraw/zinc/26/23/05/990262305.db2.gz	SMROWJXGERLIBQ-SFHVURJKSA-N	1	0	367.449	1.118	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)C[NH+](CC)CC)s1	ZINC000874469472	990312254	/nfs/dbraw/zinc/31/22/54/990312254.db2.gz	TYASHPBUBKUPCB-ZDUSSCGKSA-N	1	0	373.544	1.601	20	30		FDEDRO
CC[NH+]=C(NCc1c(C)nn(C)c1C)N[C@H]1CCCN(c2cnn(C)c2)C1	ZINC000125052560	990367451	/nfs/dbraw/zinc/36/74/51/990367451.db2.gz	QVLPNKMVWSNQCM-INIZCTEOSA-N	1	0	372.521	1.495	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C	ZINC000964583650	1015564974	/nfs/dbraw/zinc/56/49/74/1015564974.db2.gz	DUJXRRKLJIJPBX-OWSLCNJRSA-N	1	0	365.518	1.805	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)C(=O)NC1(C#N)CCCCC1	ZINC000371613386	990569743	/nfs/dbraw/zinc/56/97/43/990569743.db2.gz	FDLOFZXEQNGYCE-JKSUJKDBSA-N	1	0	356.474	1.766	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C(=O)OCC)[C@H](C(F)(F)F)C2)CC1	ZINC000874904874	990610810	/nfs/dbraw/zinc/61/08/10/990610810.db2.gz	WSZMLSRQXCINPT-ZIAGYGMSSA-N	1	0	360.376	1.532	20	30		FDEDRO
C[C@H](CNC(=O)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O)[N@H+](C)C1CC1	ZINC000372210381	990962733	/nfs/dbraw/zinc/96/27/33/990962733.db2.gz	PKGFGINYTSFXIX-JZKQVHKSSA-N	1	0	367.453	1.524	20	30		FDEDRO
CC(C)[NH+]1CCC(CCNC(=O)C(=O)NCc2ccc(C#N)cc2F)CC1	ZINC000875165018	990989622	/nfs/dbraw/zinc/98/96/22/990989622.db2.gz	NBTFXKRVIITOJY-UHFFFAOYSA-N	1	0	374.460	1.940	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)CN2CCCC[C@@H]2C(=[NH2+])NO)c(OC)c1	ZINC000372309009	991006581	/nfs/dbraw/zinc/00/65/81/991006581.db2.gz	MHAIUOOATZJGOD-JKSUJKDBSA-N	1	0	363.458	1.974	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C(=O)c2ccc(N3CC[NH+](CC)CC3)cc2)C1=O	ZINC000410110646	991009032	/nfs/dbraw/zinc/00/90/32/991009032.db2.gz	POCDMWWYMWUKBN-IBGZPJMESA-N	1	0	370.497	1.687	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C2CCC2)[C@@H]2CCOC2)CC1	ZINC000875182061	991021853	/nfs/dbraw/zinc/02/18/53/991021853.db2.gz	CUNZYJOYYQKJQK-SJLPKXTDSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@]3(CCc4ccccc43)C2)CC1	ZINC000875182681	991022573	/nfs/dbraw/zinc/02/25/73/991022573.db2.gz	VMRKKXXCWPOEKM-JOCHJYFZSA-N	1	0	367.493	1.870	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N2CCC[N@@H+](CC(C)(C)O)CC2)cc1	ZINC000372506114	991169004	/nfs/dbraw/zinc/16/90/04/991169004.db2.gz	OMFLBQOIQZKDPB-UHFFFAOYSA-N	1	0	374.485	1.913	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@@H]2CNC(=O)NC)CC1	ZINC000875245985	991185550	/nfs/dbraw/zinc/18/55/50/991185550.db2.gz	DAFDCZDKQVRXQL-MRXNPFEDSA-N	1	0	351.495	1.520	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)cc1	ZINC000372579837	991240144	/nfs/dbraw/zinc/24/01/44/991240144.db2.gz	XZBGRBUDNZXNND-DOTOQJQBSA-N	1	0	356.426	1.114	20	30		FDEDRO
N#CCCCOc1cccnc1NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC000372678824	991335188	/nfs/dbraw/zinc/33/51/88/991335188.db2.gz	CHASECURPDRIIQ-HOTGVXAUSA-N	1	0	373.457	1.827	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1	ZINC000875415738	991509003	/nfs/dbraw/zinc/50/90/03/991509003.db2.gz	SVPFIISNBJICAF-IPMKNSEASA-N	1	0	355.482	1.843	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1	ZINC000875595821	991780765	/nfs/dbraw/zinc/78/07/65/991780765.db2.gz	FFJFUGKZMAONMG-LZLYRXPVSA-N	1	0	361.486	1.006	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1	ZINC000875598844	991786072	/nfs/dbraw/zinc/78/60/72/991786072.db2.gz	LYSAZVUIQVXPSR-RBUKOAKNSA-N	1	0	371.481	1.264	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)[C@H]2C1	ZINC000373141887	991952846	/nfs/dbraw/zinc/95/28/46/991952846.db2.gz	RVZDXEUYOGALSP-AEFFLSMTSA-N	1	0	368.485	1.658	20	30		FDEDRO
COC(=O)[C@@H]1CN([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC12CCC2	ZINC000373146392	991955327	/nfs/dbraw/zinc/95/53/27/991955327.db2.gz	WWWDNKFGBSZNFC-JKSUJKDBSA-N	1	0	367.405	1.465	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000410911914	991989256	/nfs/dbraw/zinc/98/92/56/991989256.db2.gz	SHTIWFYHPSRNID-IBGZPJMESA-N	1	0	373.497	1.628	20	30		FDEDRO
Cc1cc(C)c(C#N)c(NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)n1	ZINC000875817026	992031741	/nfs/dbraw/zinc/03/17/41/992031741.db2.gz	GOKYUORAZCGRRC-NVXWUHKLSA-N	1	0	352.442	1.978	20	30		FDEDRO
Cc1cc(C)c(C#N)c(NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)n1	ZINC000875817028	992031840	/nfs/dbraw/zinc/03/18/40/992031840.db2.gz	GOKYUORAZCGRRC-WBVHZDCISA-N	1	0	352.442	1.978	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1	ZINC000411586115	992508918	/nfs/dbraw/zinc/50/89/18/992508918.db2.gz	NBTVTBWMWPHTFM-CVEARBPZSA-N	1	0	361.442	1.334	20	30		FDEDRO
C[C@H]1CN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC[N@@H+]1CC(C)(C)O	ZINC000876282719	992521994	/nfs/dbraw/zinc/52/19/94/992521994.db2.gz	WTNXALWNASTENY-KSSFIOAISA-N	1	0	356.470	1.512	20	30		FDEDRO
C#C[C@H]([NH2+]Cc1cn(C)nc1CN1C(=O)c2ccccc2C1=O)C(C)C	ZINC000825878932	992613079	/nfs/dbraw/zinc/61/30/79/992613079.db2.gz	XBHWTPMPEWMBHV-KRWDZBQOSA-N	1	0	350.422	1.964	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1	ZINC000964927361	1015721079	/nfs/dbraw/zinc/72/10/79/1015721079.db2.gz	TZPBKHRLTJJCLP-KURKYZTESA-N	1	0	363.502	1.561	20	30		FDEDRO
COC[C@@]1(C[NH+](C)C)COCCN1C(=O)[C@@H](C)Oc1ccc(C#N)cc1	ZINC000876471217	992629424	/nfs/dbraw/zinc/62/94/24/992629424.db2.gz	LOWJFZATNGFEGH-BEFAXECRSA-N	1	0	361.442	1.131	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)c(OC)c1	ZINC000411936570	992713031	/nfs/dbraw/zinc/71/30/31/992713031.db2.gz	LSOLWDLIGHLFJU-IAGOWNOFSA-N	1	0	362.470	1.574	20	30		FDEDRO
Cc1cccc(OC[C@@H](O)CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)c1	ZINC000876619824	992745797	/nfs/dbraw/zinc/74/57/97/992745797.db2.gz	CLBXOBHFMHSTTF-PXNSSMCTSA-N	1	0	365.433	1.610	20	30		FDEDRO
CN1CCN(C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C[C@@H]1C#N	ZINC000374276510	992748906	/nfs/dbraw/zinc/74/89/06/992748906.db2.gz	BRRMXEIFHDETIW-ICSRJNTNSA-N	1	0	355.486	1.748	20	30		FDEDRO
CN1CCN(C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C[C@H]1C#N	ZINC000374276511	992749195	/nfs/dbraw/zinc/74/91/95/992749195.db2.gz	BRRMXEIFHDETIW-QUCCMNQESA-N	1	0	355.486	1.748	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)C(=O)C2CCN(c3cc[nH+]cc3C)CC2)C1=O	ZINC000374279426	992751370	/nfs/dbraw/zinc/75/13/70/992751370.db2.gz	KDHFQNSVDQPKIK-GOSISDBHSA-N	1	0	356.470	1.852	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC[C@@H](N2CCCCC2=O)C1	ZINC000876651797	992773140	/nfs/dbraw/zinc/77/31/40/992773140.db2.gz	ZXPZNRCVHAJNDC-YLJYHZDGSA-N	1	0	366.465	1.749	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1	ZINC000876720900	992833963	/nfs/dbraw/zinc/83/39/63/992833963.db2.gz	KCAMGUQPJCEKCH-NFAWXSAZSA-N	1	0	352.866	1.781	20	30		FDEDRO
C[C@@H](NC(=O)[C@H](C)c1cccc(C#N)c1)C(=O)NCC[NH+]1CCCCC1	ZINC000412316610	992906662	/nfs/dbraw/zinc/90/66/62/992906662.db2.gz	DBGVYKOJEVYAPG-HZPDHXFCSA-N	1	0	356.470	1.769	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NCCN1CCN(c2ccc(F)cc2)CC1	ZINC000876780788	992907294	/nfs/dbraw/zinc/90/72/94/992907294.db2.gz	BRPCVTBMTMPCLG-INIZCTEOSA-N	1	0	354.857	1.534	20	30		FDEDRO
Cc1nccc(N2CCN(C(=O)[C@@H]3[NH2+]CCc4cc(C#N)ccc43)CC2)n1	ZINC000876885266	992948728	/nfs/dbraw/zinc/94/87/28/992948728.db2.gz	KPUKVAICAGYKGS-LJQANCHMSA-N	1	0	362.437	1.192	20	30		FDEDRO
CN(CC(C)(C)CN1CCOCC1)C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000876889310	992950309	/nfs/dbraw/zinc/95/03/09/992950309.db2.gz	JUSZTPXQAFCJHW-LJQANCHMSA-N	1	0	370.497	1.562	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cccc(N2CCN(C(C)=O)CC2)c1	ZINC000876895504	992955166	/nfs/dbraw/zinc/95/51/66/992955166.db2.gz	CMHZXSYSWSWQNR-INIZCTEOSA-N	1	0	350.850	1.764	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccccc1CN1CCN(C(C)=O)CC1	ZINC000876895493	992955283	/nfs/dbraw/zinc/95/52/83/992955283.db2.gz	CEDJRVHMFMZNTF-INIZCTEOSA-N	1	0	364.877	1.759	20	30		FDEDRO
COC(=O)NCCCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000374899000	992965622	/nfs/dbraw/zinc/96/56/22/992965622.db2.gz	RSDHWCFNCNIGPC-UHFFFAOYSA-N	1	0	358.442	1.797	20	30		FDEDRO
N#Cc1ccc(NC2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)nc1	ZINC000374899119	992965708	/nfs/dbraw/zinc/96/57/08/992965708.db2.gz	CEYSCUVJQSMYTH-LJQANCHMSA-N	1	0	353.470	2.231	20	30		FDEDRO
CCCS(=O)(=O)N1CCC([NH2+][C@H](C)CC2(C#N)CCOCC2)CC1	ZINC000876928365	992970750	/nfs/dbraw/zinc/97/07/50/992970750.db2.gz	BBXKDVFKCNGPGT-OAHLLOKOSA-N	1	0	357.520	1.879	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@H](n1cncn1)C(F)(F)F	ZINC000877148411	993070667	/nfs/dbraw/zinc/07/06/67/993070667.db2.gz	JWIWHODPKFXPFP-KBPBESRZSA-N	1	0	364.331	1.256	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@H](n1cncn1)C(F)(F)F	ZINC000877148413	993071164	/nfs/dbraw/zinc/07/11/64/993071164.db2.gz	JWIWHODPKFXPFP-UONOGXRCSA-N	1	0	364.331	1.256	20	30		FDEDRO
COC[C@]1(C(=O)NC2CCN(c3ccccc3C#N)CC2)CCCC[NH2+]1	ZINC000877177048	993089772	/nfs/dbraw/zinc/08/97/72/993089772.db2.gz	XVSCFOHVSVFPLS-FQEVSTJZSA-N	1	0	356.470	1.802	20	30		FDEDRO
CCCN1C[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1=O	ZINC000413183881	993140511	/nfs/dbraw/zinc/14/05/11/993140511.db2.gz	WCWHFOVYXXCRPW-SFHVURJKSA-N	1	0	356.470	1.707	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CCC(=O)NC2)C3)cc1	ZINC001095522812	993171118	/nfs/dbraw/zinc/17/11/18/993171118.db2.gz	MFHHLKCHOGQNFG-YRXWBPOGSA-N	1	0	366.465	1.696	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[N@@H+]([C@H](C)CO)CC1	ZINC000375487330	993183396	/nfs/dbraw/zinc/18/33/96/993183396.db2.gz	VTTMAMCMKFGCJZ-OAHLLOKOSA-N	1	0	361.490	1.261	20	30		FDEDRO
C[NH+](C)CCNC(=O)Cn1cc(NCc2cc(C#N)cnc2Cl)cn1	ZINC000877324012	993209637	/nfs/dbraw/zinc/20/96/37/993209637.db2.gz	IMYDCVCXUZKBDY-UHFFFAOYSA-N	1	0	361.837	1.093	20	30		FDEDRO
CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2N(C)C)C1	ZINC000877662055	993419163	/nfs/dbraw/zinc/41/91/63/993419163.db2.gz	LOMCPEMYVBHDMI-HNNXBMFYSA-N	1	0	350.488	1.385	20	30		FDEDRO
CONC(=O)C1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1	ZINC000877786111	993511679	/nfs/dbraw/zinc/51/16/79/993511679.db2.gz	VLTKRGDTAOLAML-UHFFFAOYSA-N	1	0	368.441	1.748	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC3(C1)CS(=O)(=O)C3)C2	ZINC001095614540	993798065	/nfs/dbraw/zinc/79/80/65/993798065.db2.gz	BAGHYZQPXGKKMY-PMPSAXMXSA-N	1	0	352.500	1.499	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2CCCNC2=O)C3)cc1	ZINC001095682500	993994774	/nfs/dbraw/zinc/99/47/74/993994774.db2.gz	MMTJHMDQSKPIEJ-SQNIBIBYSA-N	1	0	367.453	1.195	20	30		FDEDRO
N#Cc1cc(C[NH2+]C2CC3(CC(NC(=O)[C@H]4C[C@H]4C(N)=O)C3)C2)ccc1F	ZINC000965119967	1015846032	/nfs/dbraw/zinc/84/60/32/1015846032.db2.gz	KASALZBNVBZSFH-KDFLPGDSSA-N	1	0	370.428	1.336	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccc(N3CCNC3=O)cc2)CC1	ZINC000924004403	994317213	/nfs/dbraw/zinc/31/72/13/994317213.db2.gz	GMZLAQWLDSVGFO-UHFFFAOYSA-N	1	0	355.442	1.113	20	30		FDEDRO
CO[C@H]1C[C@@H]2C[N@H+](CCC(=O)N(C)CCC#N)Cc3cccnc3N2C1	ZINC000879268829	994717990	/nfs/dbraw/zinc/71/79/90/994717990.db2.gz	GZDZGSYSCGIIMU-SJORKVTESA-N	1	0	357.458	1.253	20	30		FDEDRO
C=CCCC[C@@H]1NC(=O)N(CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1=O	ZINC000924572805	994841332	/nfs/dbraw/zinc/84/13/32/994841332.db2.gz	FJDJNJMVIKTIBL-GJZGRUSLSA-N	1	0	350.463	1.206	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)CC1	ZINC000965202445	1015906885	/nfs/dbraw/zinc/90/68/85/1015906885.db2.gz	QYMFECQSRBJMKB-NXHRZFHOSA-N	1	0	363.502	1.559	20	30		FDEDRO
C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CCS(C)(=O)=O	ZINC000924852579	995063093	/nfs/dbraw/zinc/06/30/93/995063093.db2.gz	VWZNQHQPHKCABA-AWEZNQCLSA-N	1	0	373.519	1.940	20	30		FDEDRO
CC(C)CC(=O)N1CCC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)CC1	ZINC000879761729	995258356	/nfs/dbraw/zinc/25/83/56/995258356.db2.gz	PERLDDRQLCANRI-QGZVFWFLSA-N	1	0	351.491	1.638	20	30		FDEDRO
C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	ZINC000926099821	995918811	/nfs/dbraw/zinc/91/88/11/995918811.db2.gz	MIENEWMDVFNSIE-CZUORRHYSA-N	1	0	355.442	1.999	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[C@]3(C[N@@H+](CC)[C@H]3C(C)C)C[C@H]2O)nn1	ZINC000926233952	995982012	/nfs/dbraw/zinc/98/20/12/995982012.db2.gz	FDRHUFBHINRDHJ-VYCZESIESA-N	1	0	361.490	1.454	20	30		FDEDRO
C#CCN(C)CCC[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2	ZINC000926491972	996175994	/nfs/dbraw/zinc/17/59/94/996175994.db2.gz	ZDDRXQKPFGIQPJ-USTZCAOPSA-N	1	0	365.518	1.849	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+][C@@H](CC)C(N)=O)C2	ZINC000965381464	1016017058	/nfs/dbraw/zinc/01/70/58/1016017058.db2.gz	UXSMOACBPWZKBT-PZWKLGFKSA-N	1	0	363.502	1.639	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1cnn(C)c1)C2	ZINC000965425027	1016060379	/nfs/dbraw/zinc/06/03/79/1016060379.db2.gz	PYGBVOCBVLNKRA-BMTWLGCMSA-N	1	0	358.486	1.918	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F	ZINC000887034309	996846889	/nfs/dbraw/zinc/84/68/89/996846889.db2.gz	QFQMYZRKPPWGOJ-LLVKDONJSA-N	1	0	369.343	1.137	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1	ZINC000887038687	996858180	/nfs/dbraw/zinc/85/81/80/996858180.db2.gz	YEOLKINVSKDJAI-LJQANCHMSA-N	1	0	356.426	1.498	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1	ZINC000887040590	996862294	/nfs/dbraw/zinc/86/22/94/996862294.db2.gz	GWEOQQVTWPWTTR-FQEVSTJZSA-N	1	0	355.438	1.629	20	30		FDEDRO
C=C(C)[C@H](CO)[N@@H+]1C[C@@H]2CC[C@H]1[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12	ZINC000887110533	996939449	/nfs/dbraw/zinc/93/94/49/996939449.db2.gz	URQSOOSWPDLFML-VPAKFMSCSA-N	1	0	354.450	1.819	20	30		FDEDRO
C=C(C)[C@@H](CO)[N@@H+]1C[C@@H]2CC[C@H]1[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12	ZINC000887110532	996939751	/nfs/dbraw/zinc/93/97/51/996939751.db2.gz	URQSOOSWPDLFML-QXCZDIPSSA-N	1	0	354.450	1.819	20	30		FDEDRO
COc1ccc(OC)c([C@@H](O)CNC(=[NH2+])NCc2ccccc2OC)c1	ZINC000264063389	997393348	/nfs/dbraw/zinc/39/33/48/997393348.db2.gz	ACGMYXXSSILDCM-INIZCTEOSA-N	1	0	359.426	1.850	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NC[C@@H](O)COc2cccc(C)c2)cc1OC	ZINC000264071960	997395957	/nfs/dbraw/zinc/39/59/57/997395957.db2.gz	DONKHIJPJGVKAX-MRXNPFEDSA-N	1	0	373.453	1.856	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccc(N3CCCC3)nc2)CC1	ZINC000264087081	997399311	/nfs/dbraw/zinc/39/93/11/997399311.db2.gz	JVRGZEWZNSWHBF-UHFFFAOYSA-N	1	0	374.489	1.707	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](O)c2ccc(OC)cc2)CC1	ZINC000264111589	997404365	/nfs/dbraw/zinc/40/43/65/997404365.db2.gz	QVEOXOKEMYETEB-INIZCTEOSA-N	1	0	364.446	1.254	20	30		FDEDRO
CNC(NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)=[NH+]C	ZINC000264116432	997405802	/nfs/dbraw/zinc/40/58/02/997405802.db2.gz	SSUPIKOLXRFSEE-UHFFFAOYSA-N	1	0	356.449	1.842	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NCc2ccnc(N3CCOCC3)c2)cc1OC	ZINC000264121392	997407272	/nfs/dbraw/zinc/40/72/72/997407272.db2.gz	RGCWHGHDCHDYNR-UHFFFAOYSA-N	1	0	371.441	1.862	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N(C)C1(CNC(=O)OC(C)(C)C)CCOCC1	ZINC000887568947	997433192	/nfs/dbraw/zinc/43/31/92/997433192.db2.gz	BAWUPQSMWCZWTO-UHFFFAOYSA-N	1	0	355.479	1.637	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)CC1	ZINC000264407152	997500051	/nfs/dbraw/zinc/50/00/51/997500051.db2.gz	RZBXENRLIZLPLM-UHFFFAOYSA-N	1	0	361.442	1.200	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCCCC(=O)N2CCc3ccccc32)CC1	ZINC000264704660	997575592	/nfs/dbraw/zinc/57/55/92/997575592.db2.gz	DTGRYVUEBWCZIP-UHFFFAOYSA-N	1	0	353.466	1.817	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O	ZINC000264856524	997638015	/nfs/dbraw/zinc/63/80/15/997638015.db2.gz	ODFJNHKQBAYBBV-INIZCTEOSA-N	1	0	360.458	1.390	20	30		FDEDRO
Cc1cccc(N2CC[NH+](CCC(=O)N3CCO[C@@](C)(C#N)C3)CC2)c1	ZINC000887677329	997639222	/nfs/dbraw/zinc/63/92/22/997639222.db2.gz	UVNIFIFWIIKJLE-FQEVSTJZSA-N	1	0	356.470	1.648	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@@H](c1ccc(C)o1)N1CCCC1	ZINC000264985825	997668179	/nfs/dbraw/zinc/66/81/79/997668179.db2.gz	NMYYBDYBGYQEHD-KRWDZBQOSA-N	1	0	363.506	1.222	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)NCC2([NH+](C)C)CCOCC2)c1	ZINC000265081009	997692099	/nfs/dbraw/zinc/69/20/99/997692099.db2.gz	JUFQLLAAKPUWFX-UHFFFAOYSA-N	1	0	361.442	1.417	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)N[C@@H](CC(=O)N(C)C)c2ccccc2)C1	ZINC000887915921	997945050	/nfs/dbraw/zinc/94/50/50/997945050.db2.gz	DFDMVGZHZQBTIJ-MSOLQXFVSA-N	1	0	356.470	1.603	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2nc(C#N)cs2)[C@@H](c2cnn(C)c2)C1	ZINC000887976821	997990702	/nfs/dbraw/zinc/99/07/02/997990702.db2.gz	URDYUMMGYJMHCJ-HZPDHXFCSA-N	1	0	372.498	1.879	20	30		FDEDRO
Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(C#N)cc2F)nn1	ZINC001095380349	997999375	/nfs/dbraw/zinc/99/93/75/997999375.db2.gz	BSODORXVRGSJAA-KMFMINBZSA-N	1	0	354.389	1.361	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC2(C(=O)N3CCOCC3)CCCCC2)CC1	ZINC000889202075	998209734	/nfs/dbraw/zinc/20/97/34/998209734.db2.gz	UVEBYGFGWJDMKO-UHFFFAOYSA-N	1	0	361.486	1.010	20	30		FDEDRO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@H]1CCCc2cc(C#N)ccc21	ZINC000889252469	998246606	/nfs/dbraw/zinc/24/66/06/998246606.db2.gz	UNTRRYKHXQNZNI-KSSFIOAISA-N	1	0	369.469	1.697	20	30		FDEDRO
CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(CC#N)n1)[NH+]1CCC(C)CC1	ZINC000889793373	998663266	/nfs/dbraw/zinc/66/32/66/998663266.db2.gz	IXUJNKUWBZJXGX-KRWDZBQOSA-N	1	0	371.485	1.959	20	30		FDEDRO
C[NH+](C)Cc1cccc(CNC(=O)C(=O)Nc2cccc(CC#N)n2)c1	ZINC000889802283	998670239	/nfs/dbraw/zinc/67/02/39/998670239.db2.gz	PEWZFLGUZHZMBN-UHFFFAOYSA-N	1	0	351.410	1.464	20	30		FDEDRO
C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(CC#N)n1	ZINC000889873263	998715367	/nfs/dbraw/zinc/71/53/67/998715367.db2.gz	YOFYOZDUUYAMNN-RBSFLKMASA-N	1	0	357.458	1.569	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)n1	ZINC000890379919	998922655	/nfs/dbraw/zinc/92/26/55/998922655.db2.gz	IYVVOZOZNWULAF-HNNXBMFYSA-N	1	0	355.442	1.609	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c(=O)[nH]c(C)cn3n1)C2	ZINC001110857700	999053323	/nfs/dbraw/zinc/05/33/23/999053323.db2.gz	NIINOJBYMSGYFT-FMKPAKJESA-N	1	0	355.442	1.632	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]nc1[C@H]1CCOC1)C2	ZINC001110859513	999059235	/nfs/dbraw/zinc/05/92/35/999059235.db2.gz	BOSSRRLNIKIEJT-ABFRBSLYSA-N	1	0	360.458	1.451	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3cncn3)nc1)C2	ZINC001110878443	999101642	/nfs/dbraw/zinc/10/16/42/999101642.db2.gz	QQDVFJMOFDASIC-ZACQAIPSSA-N	1	0	352.442	1.964	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1	ZINC000266361749	999152306	/nfs/dbraw/zinc/15/23/06/999152306.db2.gz	DLYOYAFGOQXWBV-HNNXBMFYSA-N	1	0	362.449	1.843	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[N@@H+](C(C)C)CC1	ZINC000266678143	999213316	/nfs/dbraw/zinc/21/33/16/999213316.db2.gz	SORCAQNQPXZGTJ-UHFFFAOYSA-N	1	0	361.417	1.719	20	30		FDEDRO
C[NH+](C)CCOc1ccc(NC(=O)CCNC(=O)C2N=CC=CC2=O)cc1	ZINC000266815223	999238494	/nfs/dbraw/zinc/23/84/94/999238494.db2.gz	IDFUDIDCHXMAOS-HNENSFHCSA-N	1	0	372.425	1.482	20	30		FDEDRO
C=CCN1C(=O)C(=O)N(Cc2nc(-c3ccc(C[NH+](C)C)cc3)no2)C1=O	ZINC000267021379	999288753	/nfs/dbraw/zinc/28/87/53/999288753.db2.gz	CIIOAZCDAPFYFD-UHFFFAOYSA-N	1	0	369.381	1.275	20	30		FDEDRO
Cc1ccc(-n2nc(CCCNC(=[NH2+])N3CCOCC3)c(C#N)c2N)cc1	ZINC000267447644	999337899	/nfs/dbraw/zinc/33/78/99/999337899.db2.gz	QMAMAPPVHQMRIJ-UHFFFAOYSA-N	1	0	367.457	1.214	20	30		FDEDRO
CCOc1ccc(C(=O)NCC(=O)N(CCC#N)CCC[NH+](C)C)cc1	ZINC000267820377	999399704	/nfs/dbraw/zinc/39/97/04/999399704.db2.gz	WXTGQGLVIDICBD-UHFFFAOYSA-N	1	0	360.458	1.509	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1	ZINC000268137391	999433082	/nfs/dbraw/zinc/43/30/82/999433082.db2.gz	YZLKVJBDDBZVJC-UHFFFAOYSA-N	1	0	370.409	1.689	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2c(C#N)nnc3ccccc32)CC1	ZINC000268839791	999457808	/nfs/dbraw/zinc/45/78/08/999457808.db2.gz	OJEPZUFAWRVDQU-KRWDZBQOSA-N	1	0	350.426	1.244	20	30		FDEDRO
CCOC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C)C2)cc1C#N	ZINC000269855058	999476641	/nfs/dbraw/zinc/47/66/41/999476641.db2.gz	YSTGOIPBBXFKQD-GFCCVEGCSA-N	1	0	373.413	1.133	20	30		FDEDRO
C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)Nc3cccc(OCC#N)c3)C2)CC1	ZINC000270071348	999508028	/nfs/dbraw/zinc/50/80/28/999508028.db2.gz	BHEIWHHYFQPQBG-INIZCTEOSA-N	1	0	370.453	1.718	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCc2ccc(C#N)cc21)c1ccccc1	ZINC000270134929	999517240	/nfs/dbraw/zinc/51/72/40/999517240.db2.gz	CHBRDVLFOFSHRA-IBGZPJMESA-N	1	0	362.433	1.866	20	30		FDEDRO
C#CC[C@@H](NC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1)c1ccccc1	ZINC000270191486	999523959	/nfs/dbraw/zinc/52/39/59/999523959.db2.gz	DBWKBWHDZYICJI-LJQANCHMSA-N	1	0	370.497	1.947	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1	ZINC000270885596	999629175	/nfs/dbraw/zinc/62/91/75/999629175.db2.gz	BNNYTVWJHYDLJD-MJGOQNOKSA-N	1	0	356.470	1.191	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)nn1CCC#N	ZINC000271002198	999647971	/nfs/dbraw/zinc/64/79/71/999647971.db2.gz	HKIUZUKYOMAXDM-GJZGRUSLSA-N	1	0	374.489	1.528	20	30		FDEDRO
C#CCN(C)C(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1	ZINC000283654767	999759657	/nfs/dbraw/zinc/75/96/57/999759657.db2.gz	PUYYWSNBFDTPIE-UHFFFAOYSA-N	1	0	360.433	1.386	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NCc1ccc(C)nc1)C(C)C	ZINC000284073023	999775964	/nfs/dbraw/zinc/77/59/64/999775964.db2.gz	MUSJKXIERBASCV-GOSISDBHSA-N	1	0	358.486	1.821	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1cccs1	ZINC000284248929	999788745	/nfs/dbraw/zinc/78/87/45/999788745.db2.gz	ZEUJWNSLEXPQLZ-UHFFFAOYSA-N	1	0	370.478	1.826	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)c2ccc(F)cc2)CC1	ZINC000286634737	999945561	/nfs/dbraw/zinc/94/55/61/999945561.db2.gz	ZRKMTCWOMICIRQ-UHFFFAOYSA-N	1	0	361.461	1.986	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2cc(C(CC)CC)no2)CC1	ZINC000286649286	999945705	/nfs/dbraw/zinc/94/57/05/999945705.db2.gz	NJICDXBQRBQGKL-UHFFFAOYSA-N	1	0	362.474	1.961	20	30		FDEDRO
CN(C(=O)C(=O)NCCCCC#N)[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000286811205	999951186	/nfs/dbraw/zinc/95/11/86/999951186.db2.gz	WBMWEQXBADCWDS-GOSISDBHSA-N	1	0	356.470	1.919	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN(c3ccccc3)CC2)CC1	ZINC000286832051	999952195	/nfs/dbraw/zinc/95/21/95/999952195.db2.gz	XJRXDJMOPQENRY-UHFFFAOYSA-N	1	0	370.497	1.492	20	30		FDEDRO
C#CCC(CC#C)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000287513799	999958258	/nfs/dbraw/zinc/95/82/58/999958258.db2.gz	IJAUDGGXHRBHFG-FQEVSTJZSA-N	1	0	365.477	1.663	20	30		FDEDRO
C#CCN(CC)C(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1	ZINC000287607033	999958927	/nfs/dbraw/zinc/95/89/27/999958927.db2.gz	XFQHDNAETGTNNL-UHFFFAOYSA-N	1	0	358.442	1.387	20	30		FDEDRO
C[NH+]1CCN(CCCNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000288301023	1000005936	/nfs/dbraw/zinc/00/59/36/1000005936.db2.gz	LOHOMOPUFOIKAD-QGZVFWFLSA-N	1	0	373.476	1.277	20	30		FDEDRO
C=CCCCNC(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1	ZINC000288317970	1000007066	/nfs/dbraw/zinc/00/70/66/1000007066.db2.gz	IWXGTYLYQYEFRE-UHFFFAOYSA-N	1	0	359.470	1.342	20	30		FDEDRO
C=CCCCNC(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1	ZINC000288323914	1000007846	/nfs/dbraw/zinc/00/78/46/1000007846.db2.gz	IPBLMVAHMKWBEE-UHFFFAOYSA-N	1	0	360.458	1.988	20	30		FDEDRO
N#Cc1ccnc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1	ZINC000288506413	1000022434	/nfs/dbraw/zinc/02/24/34/1000022434.db2.gz	KRDFIWMXDWXXIJ-QZTJIDSGSA-N	1	0	350.422	1.566	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000288829960	1000050826	/nfs/dbraw/zinc/05/08/26/1000050826.db2.gz	HBGQKZHUOQMEJZ-LJQANCHMSA-N	1	0	373.497	1.818	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000288964216	1000063860	/nfs/dbraw/zinc/06/38/60/1000063860.db2.gz	RKEWAJVDZWRUMV-LJQANCHMSA-N	1	0	371.481	1.594	20	30		FDEDRO
C#C[C@H]([NH2+]Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1)C(C)C	ZINC000289376388	1000094970	/nfs/dbraw/zinc/09/49/70/1000094970.db2.gz	LZGUQSYBJSSRBJ-KRWDZBQOSA-N	1	0	360.454	1.680	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1	ZINC000289471826	1000101489	/nfs/dbraw/zinc/10/14/89/1000101489.db2.gz	WFFLQZQYJYJFBU-INIZCTEOSA-N	1	0	374.485	1.432	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccc(C#N)c(F)c2)CC1	ZINC000289778806	1000118440	/nfs/dbraw/zinc/11/84/40/1000118440.db2.gz	MPIUJRXQIOZIQB-MRXNPFEDSA-N	1	0	359.405	1.468	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1	ZINC000292504935	1000238887	/nfs/dbraw/zinc/23/88/87/1000238887.db2.gz	GHSTZCQFBNRHFI-UHFFFAOYSA-N	1	0	355.486	1.478	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1	ZINC000651839271	1016397932	/nfs/dbraw/zinc/39/79/32/1016397932.db2.gz	HJPOEXORASQORZ-SJORKVTESA-N	1	0	361.442	1.415	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)OCC[C@H]2CCCC[N@H+]2C)c1	ZINC000927577090	1000919366	/nfs/dbraw/zinc/91/93/66/1000919366.db2.gz	YGSSGYHRLSMWJR-MRXNPFEDSA-N	1	0	364.467	1.629	20	30		FDEDRO
N#CCCc1ccc(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1	ZINC000927812287	1001073365	/nfs/dbraw/zinc/07/33/65/1001073365.db2.gz	WKVAKLUBLJYBKA-ZDUSSCGKSA-N	1	0	350.369	1.442	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(NC(=O)[C@@H]3C[C@H]3C3CCC3)CC2)CC1	ZINC000947041601	1001443840	/nfs/dbraw/zinc/44/38/40/1001443840.db2.gz	MMZSORFIIHVODQ-VQTJNVASSA-N	1	0	371.525	1.875	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)C3CCC3)cc2)CC1	ZINC000928649826	1001607989	/nfs/dbraw/zinc/60/79/89/1001607989.db2.gz	SGTJMBXTWRLMFZ-UHFFFAOYSA-N	1	0	360.479	1.840	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)CC1	ZINC000928653839	1001610574	/nfs/dbraw/zinc/61/05/74/1001610574.db2.gz	CCOJWTYKJORJIU-UHFFFAOYSA-N	1	0	362.495	1.625	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CCc2ccc(S(=O)(=O)CC)cc2)CC1	ZINC000928654454	1001610958	/nfs/dbraw/zinc/61/09/58/1001610958.db2.gz	CCQMUIJTTGPQSW-UHFFFAOYSA-N	1	0	362.495	1.627	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cccc(-c3nnc(CCOC)o3)c2)CC1	ZINC000928654374	1001611072	/nfs/dbraw/zinc/61/10/72/1001611072.db2.gz	YUCVHUVNPWINLN-UHFFFAOYSA-N	1	0	368.437	1.753	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@]2(C)CCCN2C(=O)c2ccccc2)CC1	ZINC000928655178	1001611394	/nfs/dbraw/zinc/61/13/94/1001611394.db2.gz	MPMGPSCRNILYMN-NRFANRHFSA-N	1	0	353.466	1.895	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CCCNC(=O)c2ccc(OC)cc2)CC1	ZINC000928657191	1001612687	/nfs/dbraw/zinc/61/26/87/1001612687.db2.gz	RCWFPNWQTFAARZ-UHFFFAOYSA-N	1	0	357.454	1.419	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)CC1	ZINC000928658510	1001613882	/nfs/dbraw/zinc/61/38/82/1001613882.db2.gz	VKBBINXLZJGOLW-HNNXBMFYSA-N	1	0	351.516	1.538	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccccc2OCc2noc(C)n2)CC1	ZINC000928659281	1001614620	/nfs/dbraw/zinc/61/46/20/1001614620.db2.gz	JJMNTEFADWPEKF-UHFFFAOYSA-N	1	0	354.410	1.784	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccccc3OCC)C2)CC1	ZINC000928661290	1001615752	/nfs/dbraw/zinc/61/57/52/1001615752.db2.gz	POHFNFPWDOWBQN-INIZCTEOSA-N	1	0	369.465	1.652	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC(=O)C#Cc1ccc2c(c1)OCO2)c1cccnc1	ZINC000928838091	1001679262	/nfs/dbraw/zinc/67/92/62/1001679262.db2.gz	RACYMEKHYDLAGZ-QGZVFWFLSA-N	1	0	351.406	1.971	20	30		FDEDRO
C=C(Br)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2	ZINC001110954778	1001706518	/nfs/dbraw/zinc/70/65/18/1001706518.db2.gz	YVFJNZLCHXWTNB-MCIONIFRSA-N	1	0	356.308	1.958	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H](C)c1ccc(F)cc1F)C1CC[NH+](C)CC1	ZINC000929182606	1001796080	/nfs/dbraw/zinc/79/60/80/1001796080.db2.gz	OFJIHVLQIGXOHE-ZDUSSCGKSA-N	1	0	363.408	1.698	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1C#N	ZINC000929465017	1002084633	/nfs/dbraw/zinc/08/46/33/1002084633.db2.gz	KWHXEEUONABZIH-SFHVURJKSA-N	1	0	360.483	1.036	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H](C)COc1cccc(C)c1)C1CC[NH+](C)CC1	ZINC000929624204	1002279414	/nfs/dbraw/zinc/27/94/14/1002279414.db2.gz	NXTJDJWSSAJSQH-QGZVFWFLSA-N	1	0	371.481	1.435	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)C3(C#N)CCSCC3)cn2)CC1	ZINC000929683912	1002340304	/nfs/dbraw/zinc/34/03/04/1002340304.db2.gz	YBTOLSCUJDGDLC-UHFFFAOYSA-N	1	0	359.499	1.487	20	30		FDEDRO
C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1	ZINC000948547556	1002445109	/nfs/dbraw/zinc/44/51/09/1002445109.db2.gz	ZOJQWBONVHVTFK-KFWWJZLASA-N	1	0	362.392	1.669	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC000948570017	1002457718	/nfs/dbraw/zinc/45/77/18/1002457718.db2.gz	AFUJNFBEJPHTDE-XYPHTWIQSA-N	1	0	357.458	1.337	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2	ZINC000948579994	1002467635	/nfs/dbraw/zinc/46/76/35/1002467635.db2.gz	VRTQHWSDHNETOV-CZUORRHYSA-N	1	0	355.442	1.091	20	30		FDEDRO
C#CCN(C(=O)C(=O)NC[C@H]1CCOc2ccccc21)C1CC[NH+](C)CC1	ZINC000929891977	1002568697	/nfs/dbraw/zinc/56/86/97/1002568697.db2.gz	XDDMNOBTRKPXTG-MRXNPFEDSA-N	1	0	369.465	1.225	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2cc(C3CC3)nn2C)CC1	ZINC000930009801	1002733566	/nfs/dbraw/zinc/73/35/66/1002733566.db2.gz	JFRSGWPTVPPJDX-UHFFFAOYSA-N	1	0	359.474	1.070	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc3c(c2)C[C@@H](C)O3)CC1	ZINC000930010609	1002733941	/nfs/dbraw/zinc/73/39/41/1002733941.db2.gz	SLJIFCOZZONVMC-OAHLLOKOSA-N	1	0	371.481	1.783	20	30		FDEDRO
COc1ccc(C#N)cc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2	ZINC001110979788	1002741990	/nfs/dbraw/zinc/74/19/90/1002741990.db2.gz	DGAWQPHJCRDHKR-KURKYZTESA-N	1	0	356.470	1.740	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000949004643	1002921454	/nfs/dbraw/zinc/92/14/54/1002921454.db2.gz	JBNXDNOCFLWJLY-SQNIBIBYSA-N	1	0	363.502	1.417	20	30		FDEDRO
COC[C@@H](C)NN=C(C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1	ZINC000777891356	1003033369	/nfs/dbraw/zinc/03/33/69/1003033369.db2.gz	OVXFDXAOIRTCEL-CQSZACIVSA-N	1	0	370.519	1.265	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1	ZINC000949152359	1003042268	/nfs/dbraw/zinc/04/22/68/1003042268.db2.gz	HYPYLDWHDLELDJ-SZVBFZGTSA-N	1	0	369.465	1.227	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[C@H]1C(=O)N(C)C)CCO2	ZINC000949189354	1003074120	/nfs/dbraw/zinc/07/41/20/1003074120.db2.gz	QYXHCHGJUYBCSS-SJORKVTESA-N	1	0	363.502	1.370	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC000949290936	1003191117	/nfs/dbraw/zinc/19/11/17/1003191117.db2.gz	AVYQDCGYLSFOPW-RHSMWYFYSA-N	1	0	371.485	1.728	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H]1C[C@H](OC(C)C)C1(C)C)C1CC[NH+](C)CC1	ZINC000930516694	1003229276	/nfs/dbraw/zinc/22/92/76/1003229276.db2.gz	YLVJICDNOLGOMK-SJORKVTESA-N	1	0	363.502	1.251	20	30		FDEDRO
CCN(CCC#N)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(C)c1C)C2	ZINC001110994153	1003340545	/nfs/dbraw/zinc/34/05/45/1003340545.db2.gz	QDMXKNIGIYKOHF-NXHRZFHOSA-N	1	0	371.485	1.431	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]cn2)C[C@H]1C	ZINC000949436731	1003351902	/nfs/dbraw/zinc/35/19/02/1003351902.db2.gz	YXGGTSZPNYFBEA-ZMSDIMECSA-N	1	0	369.469	1.853	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C	ZINC000949515972	1003426733	/nfs/dbraw/zinc/42/67/33/1003426733.db2.gz	HVARCBZMHDWSJD-XNFNUYLZSA-N	1	0	367.493	1.514	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@](C(=O)NC)(C(F)(F)F)C2)cc1	ZINC000930826018	1003553344	/nfs/dbraw/zinc/55/33/44/1003553344.db2.gz	PNWYDBVMIAXJLW-QGZVFWFLSA-N	1	0	367.371	1.997	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1	ZINC000966368874	1016795068	/nfs/dbraw/zinc/79/50/68/1016795068.db2.gz	MACWIKCSNAWRKF-ZACQAIPSSA-N	1	0	365.518	1.540	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C[C@H]2C)nc1	ZINC000949838609	1003741990	/nfs/dbraw/zinc/74/19/90/1003741990.db2.gz	MFOHNOGIPWSOKQ-LZQZEXGQSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCO[C@H]2CCOC2)c1	ZINC001111002148	1003759003	/nfs/dbraw/zinc/75/90/03/1003759003.db2.gz	XBJBXOZBRCSQJQ-WCIQWLHISA-N	1	0	369.465	1.594	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C[C@H](O)CC(F)(F)F)c1	ZINC001111001678	1003783454	/nfs/dbraw/zinc/78/34/54/1003783454.db2.gz	JHBLEBJUBWCYGR-FPCVCCKLSA-N	1	0	367.371	1.711	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000931101073	1003885125	/nfs/dbraw/zinc/88/51/25/1003885125.db2.gz	AZOPVKBJEQSDOX-CVEARBPZSA-N	1	0	351.491	1.153	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccc(C)c(N3CCNC3=O)c2)CC1	ZINC000931118822	1003902130	/nfs/dbraw/zinc/90/21/30/1003902130.db2.gz	XTNKNRIQYUIVBT-UHFFFAOYSA-N	1	0	355.442	1.744	20	30		FDEDRO
C#CC1(O)CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)CC1	ZINC000931144421	1003922192	/nfs/dbraw/zinc/92/21/92/1003922192.db2.gz	XZBCHQMTTPCTGK-CABCVRRESA-N	1	0	358.438	1.484	20	30		FDEDRO
C#CC1(O)CC[NH+](CCC(=O)Nc2cc(OC)c(OC)c(OC)c2)CC1	ZINC000931147227	1003923428	/nfs/dbraw/zinc/92/34/28/1003923428.db2.gz	AKHWYPUTHXRBFR-UHFFFAOYSA-N	1	0	362.426	1.501	20	30		FDEDRO
C#CC1(O)CCN([C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000931148069	1003924362	/nfs/dbraw/zinc/92/43/62/1003924362.db2.gz	PVCSZANRSMCZOZ-IEBWSBKVSA-N	1	0	355.482	1.226	20	30		FDEDRO
Cc1nc(NC2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCOCC2)ccc1C#N	ZINC001111005824	1003938834	/nfs/dbraw/zinc/93/88/34/1003938834.db2.gz	PRLGCJWLGQIEOV-NVXWUHKLSA-N	1	0	371.485	1.679	20	30		FDEDRO
Cc1oc(NC(=O)CN2CCC([N@@H+]3CCCOCC3)CC2)c(C#N)c1C	ZINC000931291633	1004031245	/nfs/dbraw/zinc/03/12/45/1004031245.db2.gz	ZGVNPPHYOILCLD-UHFFFAOYSA-N	1	0	360.458	1.893	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2	ZINC001111012349	1004195278	/nfs/dbraw/zinc/19/52/78/1004195278.db2.gz	NFOHQSPMANDODG-NCOADZHNSA-N	1	0	350.507	1.131	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2cc(C#N)ccc2F)[C@H](C)C1	ZINC000931595741	1004299542	/nfs/dbraw/zinc/29/95/42/1004299542.db2.gz	MMZLELZPKCDAAM-CXAGYDPISA-N	1	0	360.433	1.502	20	30		FDEDRO
COc1ccccc1C[C@@](C)(CO)[NH2+]C[C@H](O)CC1(C#N)CCOCC1	ZINC000931599964	1004303691	/nfs/dbraw/zinc/30/36/91/1004303691.db2.gz	GANUERCQGHLLMS-MJGOQNOKSA-N	1	0	362.470	1.650	20	30		FDEDRO
N#Cc1sc(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)nc1Cl	ZINC000931725277	1004449093	/nfs/dbraw/zinc/44/90/93/1004449093.db2.gz	RRSLIYRQRIGOGP-UWVGGRQHSA-N	1	0	355.851	1.731	20	30		FDEDRO
C[C@]1([C@H]2CCC[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)COC(=O)N1	ZINC000932031430	1004719532	/nfs/dbraw/zinc/71/95/32/1004719532.db2.gz	OUUGXMQMJQLWBE-FRQCXROJSA-N	1	0	359.426	1.508	20	30		FDEDRO
CCOC(=O)[C@@H]1[C@@H]2CCN(CC#CCN3C(=O)c4ccccc4C3=O)C[C@@H]21	ZINC000932059035	1004743863	/nfs/dbraw/zinc/74/38/63/1004743863.db2.gz	SOYAOZOVIWZUGY-FHLIZLRMSA-N	1	0	366.417	1.417	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](CCNC(=O)OC(C)(C)C)C1	ZINC000932702372	1005109220	/nfs/dbraw/zinc/10/92/20/1005109220.db2.gz	JICINNCCHMXSAK-UONOGXRCSA-N	1	0	368.478	1.623	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(C(=O)N[C@@H](CC#N)C(F)(F)F)CC2)c1	ZINC000932918800	1005244016	/nfs/dbraw/zinc/24/40/16/1005244016.db2.gz	VWMKAGPFDPVCLP-LBPRGKRZSA-N	1	0	357.336	1.766	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1cn[nH]c1	ZINC000778142736	1005254027	/nfs/dbraw/zinc/25/40/27/1005254027.db2.gz	SZYBHFYPMSDTEF-KSSFIOAISA-N	1	0	370.432	1.608	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1	ZINC000932960256	1005282934	/nfs/dbraw/zinc/28/29/34/1005282934.db2.gz	COYMSCXODJEGHP-BPQIPLTHSA-N	1	0	363.502	1.607	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH+]2CCC(S(=O)(=O)N3CCCCC3)CC2)CCC1	ZINC000933085420	1005344498	/nfs/dbraw/zinc/34/44/98/1005344498.db2.gz	GATNRFGVELYBRN-INIZCTEOSA-N	1	0	369.531	1.711	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCCCC1	ZINC000933266497	1005527734	/nfs/dbraw/zinc/52/77/34/1005527734.db2.gz	VUJPUKRABCMFSE-UHFFFAOYSA-N	1	0	369.469	1.819	20	30		FDEDRO
C[C@@]1(C#N)CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCO1	ZINC000933596895	1005586630	/nfs/dbraw/zinc/58/66/30/1005586630.db2.gz	IYOOQZYTUXJRGH-HXUWFJFHSA-N	1	0	356.470	1.513	20	30		FDEDRO
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1ccc(C#N)cc1C1CC1	ZINC000933852633	1005647608	/nfs/dbraw/zinc/64/76/08/1005647608.db2.gz	DDIHWNGXKGKRON-UHFFFAOYSA-N	1	0	357.458	1.919	20	30		FDEDRO
CN1CCN(CC(=O)Nc2ccccc2SCC#N)CC[N@H+](C)CC1	ZINC000933995759	1005675421	/nfs/dbraw/zinc/67/54/21/1005675421.db2.gz	KEZZEQNIXUHVGG-UHFFFAOYSA-N	1	0	361.515	1.420	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H](N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C1=O	ZINC000934262036	1005724807	/nfs/dbraw/zinc/72/48/07/1005724807.db2.gz	ILWKQGQTPLXETB-PMPSAXMXSA-N	1	0	360.483	1.256	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCNC(C)=O	ZINC001111073675	1005741248	/nfs/dbraw/zinc/74/12/48/1005741248.db2.gz	RFGNYJFONZQBCV-ZACQAIPSSA-N	1	0	351.491	1.463	20	30		FDEDRO
CN1CC[NH+](CC2(C)CCN(C(=O)C3(C#N)CCSCC3)CC2)CC1	ZINC000935370273	1005900854	/nfs/dbraw/zinc/90/08/54/1005900854.db2.gz	RIMKPTHLEHAQSG-UHFFFAOYSA-N	1	0	364.559	1.899	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NC[C@H](O)Cc3ccccc3)=[NH+]C[C@@H]2C1	ZINC000089120794	1006011076	/nfs/dbraw/zinc/01/10/76/1006011076.db2.gz	YGNKZVCSXGAPCS-IAGOWNOFSA-N	1	0	374.485	1.471	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NC[C@@H](O)Cc3ccccc3)=[NH+]C[C@H]2C1	ZINC000089120797	1006011310	/nfs/dbraw/zinc/01/13/10/1006011310.db2.gz	YGNKZVCSXGAPCS-IRXDYDNUSA-N	1	0	374.485	1.471	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)C(=O)CCc2ccc(OCC[NH+](C)C)cc2)C1=O	ZINC000935799499	1006023727	/nfs/dbraw/zinc/02/37/27/1006023727.db2.gz	ZMKZHVSIADMZAC-LJQANCHMSA-N	1	0	373.497	1.805	20	30		FDEDRO
C=CCN(CC(=O)OCC)C(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1	ZINC000686821983	1006537016	/nfs/dbraw/zinc/53/70/16/1006537016.db2.gz	AJEMXHIQWNCPPV-UHFFFAOYSA-N	1	0	373.497	1.948	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1	ZINC000954277384	1006588001	/nfs/dbraw/zinc/58/80/01/1006588001.db2.gz	YRQYZVFRPFSXPU-KURKYZTESA-N	1	0	363.502	1.510	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C[C@H](O)c1ccc(F)c(F)c1	ZINC000155543298	1006693880	/nfs/dbraw/zinc/69/38/80/1006693880.db2.gz	RCQLHAPNPWJHSZ-PXAZEXFGSA-N	1	0	359.380	1.871	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1	ZINC000954772087	1007014345	/nfs/dbraw/zinc/01/43/45/1007014345.db2.gz	HBHBOCCSNBMBSP-ZACQAIPSSA-N	1	0	351.491	1.367	20	30		FDEDRO
CN1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)C1=O	ZINC001095889054	1007378913	/nfs/dbraw/zinc/37/89/13/1007378913.db2.gz	LVIYQSQQEGTUNK-OWSLCNJRSA-N	1	0	352.438	1.258	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@]12CCC(=O)N1CCS2)C(C)C	ZINC000642243708	1007381617	/nfs/dbraw/zinc/38/16/17/1007381617.db2.gz	NHAHXHWNTWHUSJ-MAUKXSAKSA-N	1	0	351.516	1.867	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1	ZINC000955364998	1007383369	/nfs/dbraw/zinc/38/33/69/1007383369.db2.gz	ARKMZGRHKPHGMJ-NXHRZFHOSA-N	1	0	363.502	1.511	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1	ZINC000093046722	1007510900	/nfs/dbraw/zinc/51/09/00/1007510900.db2.gz	ILBJPLAQAVUALU-KRWDZBQOSA-N	1	0	356.470	1.717	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC000957010733	1007514242	/nfs/dbraw/zinc/51/42/42/1007514242.db2.gz	ULYDKPZMBJNALH-GJYPPUQNSA-N	1	0	361.486	1.171	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@]2(C)CCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000957069970	1007646192	/nfs/dbraw/zinc/64/61/92/1007646192.db2.gz	JVHPFUVPBTVVRG-WAOWUJCRSA-N	1	0	357.498	1.485	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@@H](OC)C[C@]2(C)CO)c(OC)c1	ZINC000640010383	1007710736	/nfs/dbraw/zinc/71/07/36/1007710736.db2.gz	STMHFUBRTBRHPO-FUHIMQAGSA-N	1	0	365.470	1.635	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C	ZINC000957100783	1007712194	/nfs/dbraw/zinc/71/21/94/1007712194.db2.gz	VAGIHXSSYXXFKL-LZQZEXGQSA-N	1	0	355.482	1.514	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC000956387367	1008096543	/nfs/dbraw/zinc/09/65/43/1008096543.db2.gz	QQLLJDSABFXVTE-VQHPVUNQSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=C(Br)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1	ZINC001115529325	1008273101	/nfs/dbraw/zinc/27/31/01/1008273101.db2.gz	NKXOKZGCGDKMMA-VXGBXAGGSA-N	1	0	360.252	1.969	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C	ZINC000950003831	1008633976	/nfs/dbraw/zinc/63/39/76/1008633976.db2.gz	PRONPFATPOHLKZ-BSIFCXSSSA-N	1	0	369.509	1.760	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)CCC)C2	ZINC001111308804	1008901294	/nfs/dbraw/zinc/90/12/94/1008901294.db2.gz	XYNURSPELABSAP-VQHPVUNQSA-N	1	0	350.507	1.131	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)c1	ZINC000950256107	1008970633	/nfs/dbraw/zinc/97/06/33/1008970633.db2.gz	UAEHMLBOUPOTHW-OKZBNKHCSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1	ZINC000950380603	1009106157	/nfs/dbraw/zinc/10/61/57/1009106157.db2.gz	KBLFCBJZPQUBRP-BRWVUGGUSA-N	1	0	358.486	1.735	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc(OC)n3)C[C@H]21	ZINC000959949155	1009185766	/nfs/dbraw/zinc/18/57/66/1009185766.db2.gz	WGSXMGZIBMBINO-GJGATLCTSA-N	1	0	357.454	1.618	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2	ZINC000646954040	1009332428	/nfs/dbraw/zinc/33/24/28/1009332428.db2.gz	PAWNFVQTSQRHRS-WBVHZDCISA-N	1	0	371.481	1.876	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@H]2C)nc1	ZINC000950673597	1009495747	/nfs/dbraw/zinc/49/57/47/1009495747.db2.gz	BPYUHDWHIRHGFP-SZVBFZGTSA-N	1	0	368.481	1.514	20	30		FDEDRO
CCC[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCC(Nc2ccc(C#N)nn2)CC1	ZINC001111322299	1009589519	/nfs/dbraw/zinc/58/95/19/1009589519.db2.gz	AVPPIOVKMDGIHO-RHSMWYFYSA-N	1	0	356.474	1.777	20	30		FDEDRO
C[C@@H]1CCCN(C(=[NH2+])NCc2ccccc2OCCN2CCOCC2)C1	ZINC000303878076	1009647218	/nfs/dbraw/zinc/64/72/18/1009647218.db2.gz	IZBMCZKYKJOOMA-QGZVFWFLSA-N	1	0	360.502	1.944	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCc2cccnc2N(C)C)cc1OC	ZINC000303900115	1009683338	/nfs/dbraw/zinc/68/33/38/1009683338.db2.gz	RZSVQHMBVFYICF-UHFFFAOYSA-N	1	0	357.458	1.812	20	30		FDEDRO
CCNC(=O)COc1ccc(CNC(=[NH2+])N2CCC[C@@H](C)C2)cc1OC	ZINC000303907786	1009687964	/nfs/dbraw/zinc/68/79/64/1009687964.db2.gz	XBHXAQNHWQAENZ-CQSZACIVSA-N	1	0	362.474	1.757	20	30		FDEDRO
C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1	ZINC000647876198	1009976906	/nfs/dbraw/zinc/97/69/06/1009976906.db2.gz	RIQQEMPUNABZCM-ZBFHGGJFSA-N	1	0	356.426	1.625	20	30		FDEDRO
CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(C#N)ccc3OC)C[C@H]21	ZINC000960363845	1010041287	/nfs/dbraw/zinc/04/12/87/1010041287.db2.gz	CFIWTVJECQLICQ-QMALUCSJSA-N	1	0	369.465	1.928	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000950958099	1010122816	/nfs/dbraw/zinc/12/28/16/1010122816.db2.gz	MVWNRKWARQFMPY-CEXWTWQISA-N	1	0	357.498	1.485	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1	ZINC000950985152	1010215505	/nfs/dbraw/zinc/21/55/05/1010215505.db2.gz	NEMJVLRXZBMOBU-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]2C)cn1	ZINC000950987577	1010227364	/nfs/dbraw/zinc/22/73/64/1010227364.db2.gz	CMSQPNWWIDRIIR-ZTFGCOKTSA-N	1	0	354.454	1.124	20	30		FDEDRO
CC(C)(COc1ncccc1Br)[NH2+]CC(=O)NCCC#N	ZINC000779605380	1010375354	/nfs/dbraw/zinc/37/53/54/1010375354.db2.gz	CPABMGPVQUBUME-UHFFFAOYSA-N	1	0	355.236	1.621	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1nc3ccccn3c1=O)C2	ZINC001095838874	1010402086	/nfs/dbraw/zinc/40/20/86/1010402086.db2.gz	GIUYRHBGFUNEFE-PMPSAXMXSA-N	1	0	355.442	1.184	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](NC(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000951079276	1010428941	/nfs/dbraw/zinc/42/89/41/1010428941.db2.gz	UWCCZEDHZYILHY-CEXWTWQISA-N	1	0	357.498	1.485	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@](C)(O)c2ccccc2)CC1	ZINC000304791149	1010491084	/nfs/dbraw/zinc/49/10/84/1010491084.db2.gz	KOENUBXHESLTSC-IBGZPJMESA-N	1	0	362.474	1.762	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1	ZINC000959681207	1010576216	/nfs/dbraw/zinc/57/62/16/1010576216.db2.gz	KLKVWRTXIQWYSA-VQHPVUNQSA-N	1	0	361.486	1.169	20	30		FDEDRO
C[NH+]1CCC(NC(=S)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000779729848	1010861369	/nfs/dbraw/zinc/86/13/69/1010861369.db2.gz	JKNJJDNMRZRLOH-QGZVFWFLSA-N	1	0	371.510	1.612	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3ccccc3)n1)C2	ZINC001111378168	1010928104	/nfs/dbraw/zinc/92/81/04/1010928104.db2.gz	HREPNXWVQKWLQQ-LMMKCTJWSA-N	1	0	367.453	1.805	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCN(C(=O)[C@]34C[C@H]3CCC4)C2)CC1	ZINC000951585686	1010950266	/nfs/dbraw/zinc/95/02/66/1010950266.db2.gz	HKHUGSLCJBZBFD-DBXWQHBBSA-N	1	0	357.498	1.629	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)c1	ZINC000952014008	1011163334	/nfs/dbraw/zinc/16/33/34/1011163334.db2.gz	CIPGVPABEKDIEB-OKZBNKHCSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@H]2C1	ZINC000960782121	1011374947	/nfs/dbraw/zinc/37/49/47/1011374947.db2.gz	ROEACQQJWDWQNL-YESZJQIVSA-N	1	0	363.502	1.511	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCC2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)CC[N@@H+]1C	ZINC000952293743	1011576846	/nfs/dbraw/zinc/57/68/46/1011576846.db2.gz	GIEXZCGLDSIIEO-FUHWJXTLSA-N	1	0	371.485	1.585	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1	ZINC000963076725	1011813693	/nfs/dbraw/zinc/81/36/93/1011813693.db2.gz	PPKNISCXAIVTFF-ILXRZTDVSA-N	1	0	371.909	1.326	20	30		FDEDRO
N#Cc1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c(F)c1	ZINC000961275950	1012163176	/nfs/dbraw/zinc/16/31/76/1012163176.db2.gz	DDCNRGUIPKKVMM-NSJLZPGHSA-N	1	0	367.424	1.667	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+](CC(N)=O)C2)CC1	ZINC000961373221	1012301987	/nfs/dbraw/zinc/30/19/87/1012301987.db2.gz	MDOIRLTYBAVUGJ-KURKYZTESA-N	1	0	363.502	1.404	20	30		FDEDRO
C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)CC1	ZINC000963470184	1012313988	/nfs/dbraw/zinc/31/39/88/1012313988.db2.gz	FOKKGBWMYLZYSP-GMNCBBECSA-N	1	0	358.486	1.880	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@H+](CCO)C2)CC1	ZINC000961425685	1012362545	/nfs/dbraw/zinc/36/25/45/1012362545.db2.gz	ZKRLERPBBJSXKA-QYZOEREBSA-N	1	0	350.503	1.911	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3CCCN3C(=O)C#CC3CC3)CC2)CC[N@@H+]1C	ZINC000953472126	1012368493	/nfs/dbraw/zinc/36/84/93/1012368493.db2.gz	LXAODISXAGJJGB-AHRSYUTCSA-N	1	0	371.525	1.970	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCN2CCCC2=O)C3)c1	ZINC001111417585	1012458194	/nfs/dbraw/zinc/45/81/94/1012458194.db2.gz	JGLRRERDNBMOCT-QRVBRYPASA-N	1	0	366.465	1.792	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC(N(C)C(=O)c3cc(C#N)c[nH]3)CC2)CC[N@@H+]1C	ZINC000953847420	1012603355	/nfs/dbraw/zinc/60/33/55/1012603355.db2.gz	ZKJCTDNAFHAHJT-FUHWJXTLSA-N	1	0	371.485	1.680	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1	ZINC000963771877	1012674682	/nfs/dbraw/zinc/67/46/82/1012674682.db2.gz	QGMWHBHOFOQZDA-TZNCUMHOSA-N	1	0	363.502	1.367	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@@H]3C2)CC1	ZINC000961665132	1012716076	/nfs/dbraw/zinc/71/60/76/1012716076.db2.gz	NSXWDOCWBCFUIS-OQIJWPOYSA-N	1	0	359.514	1.990	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000963945923	1012995191	/nfs/dbraw/zinc/99/51/91/1012995191.db2.gz	QPGGAKGCBHCNIF-ZKXLYKBJSA-N	1	0	363.502	1.463	20	30		FDEDRO
CC[C@@](C)(C#N)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1	ZINC000506773566	538905860	/nfs/dbraw/zinc/90/58/60/538905860.db2.gz	QZUWTVXBBVBCOA-IBGZPJMESA-N	1	0	350.507	1.869	20	30		FDEDRO
C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1(CO)CCOCC1	ZINC000191017388	178036499	/nfs/dbraw/zinc/03/64/99/178036499.db2.gz	DNMOFDLDGUPVNZ-UHFFFAOYSA-N	1	0	369.425	1.156	20	30		FDEDRO
Cn1cc(CN2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)cc1C#N	ZINC000191471082	178057018	/nfs/dbraw/zinc/05/70/18/178057018.db2.gz	IPYUWKYLMOZRHL-QGZVFWFLSA-N	1	0	350.488	1.723	20	30		FDEDRO
Cn1cc(C[NH2+][C@@H](Cc2ccccc2)C(=O)N2CCOCC2)cc1C#N	ZINC000191605658	178062840	/nfs/dbraw/zinc/06/28/40/178062840.db2.gz	LQLHTGWKUSHFOM-IBGZPJMESA-N	1	0	352.438	1.456	20	30		FDEDRO
CCN1CCN(C(=O)[C@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)CC1	ZINC000507833448	538923318	/nfs/dbraw/zinc/92/33/18/538923318.db2.gz	MFPRQLSAZQBVHC-KRWDZBQOSA-N	1	0	370.497	1.954	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1	ZINC000192862788	178136447	/nfs/dbraw/zinc/13/64/47/178136447.db2.gz	YORZJIXIPQRFCT-HNNXBMFYSA-N	1	0	357.458	1.750	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)CCC[NH+]2CCN(c3ccccc3)CC2)C1=O	ZINC000510745718	538955783	/nfs/dbraw/zinc/95/57/83/538955783.db2.gz	DCOUBJJOUWXKTJ-HXUWFJFHSA-N	1	0	356.514	1.917	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H](CO)C[NH+]1CCCCC1	ZINC000512389330	538973674	/nfs/dbraw/zinc/97/36/74/538973674.db2.gz	JYSWOFCIZGMZPI-HKUYNNGSSA-N	1	0	359.470	1.925	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+]CCCN3C(=O)c4ccccc4C3=O)n2c1	ZINC000512908330	538982588	/nfs/dbraw/zinc/98/25/88/538982588.db2.gz	BMEPDDDIAWOSRQ-UHFFFAOYSA-N	1	0	359.389	1.982	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC(CC[NH3+])CC1	ZINC000519168929	539473424	/nfs/dbraw/zinc/47/34/24/539473424.db2.gz	UWGJMLNUMWAXDN-UHFFFAOYSA-N	1	0	356.470	1.884	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCN(Cc3ccccc3)C2)nc1	ZINC000520782723	539509486	/nfs/dbraw/zinc/50/94/86/539509486.db2.gz	CEVDOZUQFXAWGO-SFHVURJKSA-N	1	0	370.478	1.591	20	30		FDEDRO
Cc1cc(OC[C@H](O)C[NH2+]CC(=O)NCC#N)c(C(C)C)cc1Cl	ZINC000521996249	539527533	/nfs/dbraw/zinc/52/75/33/539527533.db2.gz	QDJSHAYLUFOBAO-CYBMUJFWSA-N	1	0	353.850	1.741	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)/C=C/c1cccc(C#N)c1	ZINC000264181099	179042007	/nfs/dbraw/zinc/04/20/07/179042007.db2.gz	LPAHGSKJVQCTBJ-QZEKMECESA-N	1	0	354.454	1.630	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)/C=C/c1cccc(C#N)c1	ZINC000264181095	179042523	/nfs/dbraw/zinc/04/25/23/179042523.db2.gz	LPAHGSKJVQCTBJ-BBVFFXRHSA-N	1	0	354.454	1.630	20	30		FDEDRO
COCCN(CC[NH+](C)C)C(=O)CCc1c(C)nc2c(C#N)cnn2c1C	ZINC000264210002	179049575	/nfs/dbraw/zinc/04/95/75/179049575.db2.gz	SXQBFFMJXDBFSV-UHFFFAOYSA-N	1	0	372.473	1.187	20	30		FDEDRO
N#Cc1c2c(sc1NC(=O)CC[NH2+]C1(CO)CCOCC1)CCCC2	ZINC000264641308	179155875	/nfs/dbraw/zinc/15/58/75/179155875.db2.gz	VFMCMJRRRYSORE-UHFFFAOYSA-N	1	0	363.483	1.958	20	30		FDEDRO
C[C@@H](CNC(=O)CCCCOc1cccc(C#N)c1)N1CC[NH+](C)CC1	ZINC000264935211	179245232	/nfs/dbraw/zinc/24/52/32/179245232.db2.gz	ORLVDWXRNLFUJL-KRWDZBQOSA-N	1	0	358.486	1.859	20	30		FDEDRO
Cn1cc(CCN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cn1	ZINC000265440999	179377660	/nfs/dbraw/zinc/37/76/60/179377660.db2.gz	AIFZJDWZCIGNOO-UHFFFAOYSA-N	1	0	352.398	1.904	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000268140445	180006397	/nfs/dbraw/zinc/00/63/97/180006397.db2.gz	KERJSEDIUQNHCR-PBHICJAKSA-N	1	0	354.458	1.268	20	30		FDEDRO
CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl	ZINC000269089065	180212987	/nfs/dbraw/zinc/21/29/87/180212987.db2.gz	JWTQCDIKJQKSMA-CYBMUJFWSA-N	1	0	366.849	1.623	20	30		FDEDRO
Cc1cc(NC(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)n(C)n1	ZINC000528783647	539783799	/nfs/dbraw/zinc/78/37/99/539783799.db2.gz	PESKUAMRIGZAOA-UHFFFAOYSA-N	1	0	353.426	1.834	20	30		FDEDRO
C[NH+]1CCN(CCCNC(=O)CCCC(=O)Nc2ccccc2C#N)CC1	ZINC000269269699	180260152	/nfs/dbraw/zinc/26/01/52/180260152.db2.gz	FPSVQPUNAYQVKK-UHFFFAOYSA-N	1	0	371.485	1.421	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)cc1	ZINC000528790344	539786765	/nfs/dbraw/zinc/78/67/65/539786765.db2.gz	WDWOUXSOLMNWLB-YJBOKZPZSA-N	1	0	354.410	1.825	20	30		FDEDRO
C[C@@H]1C[N@H+](CCOc2ccc(C#N)cc2)CCN1c1nccn2cnnc12	ZINC000269645130	180349455	/nfs/dbraw/zinc/34/94/55/180349455.db2.gz	KSJDGWHZCYKVSI-OAHLLOKOSA-N	1	0	363.425	1.585	20	30		FDEDRO
COc1cc(CNC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)ccc1C#N	ZINC000529323991	539819695	/nfs/dbraw/zinc/81/96/95/539819695.db2.gz	GESUNBMGHWBRHK-GOSISDBHSA-N	1	0	372.469	1.867	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CC(=O)N(c2ccccc2F)C1	ZINC000530233429	539916476	/nfs/dbraw/zinc/91/64/76/539916476.db2.gz	JDBXMIMUQMGUFF-HOTGVXAUSA-N	1	0	369.396	1.832	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000530231684	539915796	/nfs/dbraw/zinc/91/57/96/539915796.db2.gz	SOLPCUJMROHGJM-QWHCGFSZSA-N	1	0	357.332	1.051	20	30		FDEDRO
C=CCOc1ccc(CN2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc1OC	ZINC000530244406	539920810	/nfs/dbraw/zinc/92/08/10/539920810.db2.gz	LHTAGMYATIFKFX-UHFFFAOYSA-N	1	0	374.485	1.403	20	30		FDEDRO
C[C@H]([NH2+]C1(CNC(=O)c2cnn(C)c2C#N)CCOCC1)c1ccccc1	ZINC000530283493	539930441	/nfs/dbraw/zinc/93/04/41/539930441.db2.gz	JMJFROZOHHROSR-HNNXBMFYSA-N	1	0	367.453	1.922	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)CCN(C)c3cc[nH+]cc3)CC2)c1C#N	ZINC000530522673	539992626	/nfs/dbraw/zinc/99/26/26/539992626.db2.gz	VUCFXHRFXVGCQH-UHFFFAOYSA-N	1	0	367.457	1.170	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[N@@H+]2CCc3n[nH]c(=O)cc3C2)cc1Cl	ZINC000274892775	181187571	/nfs/dbraw/zinc/18/75/71/181187571.db2.gz	QGDVOKLYUFAFPF-UHFFFAOYSA-N	1	0	357.801	1.682	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1	ZINC000275102927	181238747	/nfs/dbraw/zinc/23/87/47/181238747.db2.gz	LFONDSQHJKRCEV-KGLIPLIRSA-N	1	0	371.359	1.298	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCCC[NH+]2CCCCCC2)n(CCC#N)n1	ZINC000533466540	540251544	/nfs/dbraw/zinc/25/15/44/540251544.db2.gz	PIRUXPJVAXXCNQ-UHFFFAOYSA-N	1	0	360.462	1.426	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)C1	ZINC000481063556	538872168	/nfs/dbraw/zinc/87/21/68/538872168.db2.gz	VMVAYQBNHKTJFR-KBPBESRZSA-N	1	0	364.471	1.836	20	30		FDEDRO
COC(=O)c1cccc(C[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1C#N	ZINC000534832181	540416900	/nfs/dbraw/zinc/41/69/00/540416900.db2.gz	SSHGNLDLZXRHAW-UHFFFAOYSA-N	1	0	352.398	1.586	20	30		FDEDRO
N#Cc1ccc([C@H]([NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)C(N)=O)cc1	ZINC000535410636	540471407	/nfs/dbraw/zinc/47/14/07/540471407.db2.gz	KJZMUGSTUMXKIO-XLIONFOSSA-N	1	0	362.433	1.723	20	30		FDEDRO
CCC(CC)(CC(=O)OC)[NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000537048560	540678130	/nfs/dbraw/zinc/67/81/30/540678130.db2.gz	PSIOJLLGHVLUTF-MRXNPFEDSA-N	1	0	366.506	1.390	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C	ZINC000275390784	181306916	/nfs/dbraw/zinc/30/69/16/181306916.db2.gz	GIVBRXNQAOUQDG-OAHLLOKOSA-N	1	0	358.442	1.838	20	30		FDEDRO
CCCCOC1CC[NH+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1	ZINC000538147207	540817028	/nfs/dbraw/zinc/81/70/28/540817028.db2.gz	SHHFEXDIYAGQQA-LJQANCHMSA-N	1	0	364.534	1.960	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C	ZINC000275432373	181316734	/nfs/dbraw/zinc/31/67/34/181316734.db2.gz	KNYJFGLJMFCJTQ-CQSZACIVSA-N	1	0	361.442	1.249	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C#N)cc1Cl	ZINC000269068362	674106026	/nfs/dbraw/zinc/10/60/26/674106026.db2.gz	DQFTZIGYZPBFLM-UHFFFAOYSA-N	1	0	352.822	1.235	20	30		FDEDRO
COCCOc1ccccc1N1CC[NH+](CCC(=O)N(C)CCC#N)CC1	ZINC000538952687	540913326	/nfs/dbraw/zinc/91/33/26/540913326.db2.gz	FNRZJEMUKCHIIB-UHFFFAOYSA-N	1	0	374.485	1.596	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+]CCNC(=O)c3cnccn3)CC2)cc1	ZINC000539496866	540966351	/nfs/dbraw/zinc/96/63/51/540966351.db2.gz	NFMISYXSERHHJS-UHFFFAOYSA-N	1	0	364.453	1.332	20	30		FDEDRO
C=CCOc1ccc(C[NH2+][C@H](C)C(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000540602775	541080254	/nfs/dbraw/zinc/08/02/54/541080254.db2.gz	QDFYJYMVVSYWNM-ZBFHGGJFSA-N	1	0	366.483	1.280	20	30		FDEDRO
Cc1occc1C(=O)NCC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000541573898	541231112	/nfs/dbraw/zinc/23/11/12/541231112.db2.gz	BCUQKLASLCIPOT-UHFFFAOYSA-N	1	0	368.437	1.780	20	30		FDEDRO
CC[C@@H]1C[C@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)CC(=O)N1	ZINC000541675176	541244551	/nfs/dbraw/zinc/24/45/51/541244551.db2.gz	STKLSIFTEZMCGV-ZWKOTPCHSA-N	1	0	356.470	1.753	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]CCc1nc(-c2cccc(Cl)c2)no1	ZINC000570564400	549326355	/nfs/dbraw/zinc/32/63/55/549326355.db2.gz	OUWKUQHHIPYNNX-OAHLLOKOSA-N	1	0	363.849	1.728	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)cc2C1=O	ZINC000541894417	541292326	/nfs/dbraw/zinc/29/23/26/541292326.db2.gz	SQMLYKCWFSTDGC-ZDUSSCGKSA-N	1	0	353.422	1.849	20	30		FDEDRO
COc1cc(CNC(=O)C[NH+]2CCC(CC#N)CC2)cc(OC)c1OC	ZINC000541952397	541306037	/nfs/dbraw/zinc/30/60/37/541306037.db2.gz	RZHPHKGBKAJPMA-UHFFFAOYSA-N	1	0	361.442	1.954	20	30		FDEDRO
CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)CCCc1[nH]nc(N)c1C#N	ZINC000542829922	541481023	/nfs/dbraw/zinc/48/10/23/541481023.db2.gz	HOFCKFQNUZFCSH-CQSZACIVSA-N	1	0	361.494	1.702	20	30		FDEDRO
Cc1nnc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)s1	ZINC000543741922	541650396	/nfs/dbraw/zinc/65/03/96/541650396.db2.gz	RDCFUUIBNSCGSI-UHFFFAOYSA-N	1	0	358.471	1.992	20	30		FDEDRO
CC[NH+]1CCC(CCNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC1	ZINC000543758567	541654964	/nfs/dbraw/zinc/65/49/64/541654964.db2.gz	TUAJMWZVPUMFOC-UHFFFAOYSA-N	1	0	361.494	1.560	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)COCCNC(=O)c2ccccc2)CC1	ZINC000544224329	541735866	/nfs/dbraw/zinc/73/58/66/541735866.db2.gz	CRYMKRBMAIALFP-UHFFFAOYSA-N	1	0	359.470	1.590	20	30		FDEDRO
N#Cc1cccc(-n2ccc(C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)n2)c1	ZINC000282825509	182061036	/nfs/dbraw/zinc/06/10/36/182061036.db2.gz	RWIXVQVOKQTSLS-QGZVFWFLSA-N	1	0	365.437	1.538	20	30		FDEDRO
C[C@@H]1CCC[C@](CNC(=O)C(=O)NCc2cccc(C#N)c2)([NH+](C)C)C1	ZINC000283535590	182208839	/nfs/dbraw/zinc/20/88/39/182208839.db2.gz	DNDDEEHIXZACDJ-QRWLVFNGSA-N	1	0	356.470	1.801	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1	ZINC000545211911	541905880	/nfs/dbraw/zinc/90/58/80/541905880.db2.gz	QQJYROWAECSXAB-INIZCTEOSA-N	1	0	363.483	1.919	20	30		FDEDRO
CC1CC(C#N)(C(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)C1	ZINC000545906776	542046495	/nfs/dbraw/zinc/04/64/95/542046495.db2.gz	HSFJLAJZWORYJS-UHFFFAOYSA-N	1	0	364.471	1.405	20	30		FDEDRO
CC1CC[NH+](CCCNC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1	ZINC000546219647	542128263	/nfs/dbraw/zinc/12/82/63/542128263.db2.gz	AKGRHIMZRJLYLV-UHFFFAOYSA-N	1	0	370.501	1.907	20	30		FDEDRO
Cn1ccc(CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1	ZINC000546220321	542128414	/nfs/dbraw/zinc/12/84/14/542128414.db2.gz	UCJAZOVUEMDUIY-UHFFFAOYSA-N	1	0	354.458	1.608	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(C#N)cc1)[NH+]1CCC(C)CC1	ZINC000286192439	183010704	/nfs/dbraw/zinc/01/07/04/183010704.db2.gz	KHJJLXYJKVUMHQ-INIZCTEOSA-N	1	0	356.470	1.753	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000286208742	183014235	/nfs/dbraw/zinc/01/42/35/183014235.db2.gz	WSMBWWVXIGVSGL-MRXNPFEDSA-N	1	0	362.449	1.608	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1	ZINC000286693174	183129271	/nfs/dbraw/zinc/12/92/71/183129271.db2.gz	VZUANQYHGIPCKS-LZWOXQAQSA-N	1	0	358.360	1.791	20	30		FDEDRO
C[C@H](C(=O)NCCn1cnc(C#N)n1)[NH+]1CCC(Cc2ccccc2)CC1	ZINC000286791713	183145932	/nfs/dbraw/zinc/14/59/32/183145932.db2.gz	JROPOGMBIBLERT-MRXNPFEDSA-N	1	0	366.469	1.609	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000546709032	542206425	/nfs/dbraw/zinc/20/64/25/542206425.db2.gz	DCOUOQWFSCEGQX-MRXNPFEDSA-N	1	0	371.441	1.337	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C	ZINC000288117767	183398974	/nfs/dbraw/zinc/39/89/74/183398974.db2.gz	NGMJYRKBCYFMDK-GOEBONIOSA-N	1	0	370.453	1.981	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc(C#N)cc(N(C)C)c2)CC1	ZINC000294843724	184013242	/nfs/dbraw/zinc/01/32/42/184013242.db2.gz	RZOIUJZUTRJAIG-MRXNPFEDSA-N	1	0	357.502	1.628	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)cc2C#N)C1	ZINC000294733341	184005156	/nfs/dbraw/zinc/00/51/56/184005156.db2.gz	VXCWYUJENDAWLW-CYBMUJFWSA-N	1	0	352.232	1.771	20	30		FDEDRO
COC[C@]1(C(=O)OC)CC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000295114107	184034849	/nfs/dbraw/zinc/03/48/49/184034849.db2.gz	HYPJWWOTXIFAQS-XLIONFOSSA-N	1	0	371.437	1.565	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)Cc2ccc(F)cc2C#N)C[C@@H]1[NH+](C)C	ZINC000295141620	184037991	/nfs/dbraw/zinc/03/79/91/184037991.db2.gz	LAZBDHLXOXRTON-LSDHHAIUSA-N	1	0	357.476	1.505	20	30		FDEDRO
CC(C)(C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1)C(N)=O	ZINC000295770833	184102956	/nfs/dbraw/zinc/10/29/56/184102956.db2.gz	YLPSYSLZSJQVHM-DLBZAZTESA-N	1	0	359.470	1.912	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)ccc1Cl	ZINC000296346211	184156123	/nfs/dbraw/zinc/15/61/23/184156123.db2.gz	YQROXZXTBIAPQH-AWEZNQCLSA-N	1	0	364.833	1.113	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2	ZINC000297498236	184279360	/nfs/dbraw/zinc/27/93/60/184279360.db2.gz	CUNFOKDBSYUAKA-FQEVSTJZSA-N	1	0	354.454	1.461	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)CC1	ZINC000548104581	542556521	/nfs/dbraw/zinc/55/65/21/542556521.db2.gz	HKRKAQHIYMXTFR-UHFFFAOYSA-N	1	0	369.252	1.827	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)C[C@H]1CCCCO1	ZINC000170663269	258264499	/nfs/dbraw/zinc/26/44/99/258264499.db2.gz	ZBHKLRQTUIGMBK-GOSISDBHSA-N	1	0	365.499	1.821	20	30		FDEDRO
C=CCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1	ZINC000548855745	542792346	/nfs/dbraw/zinc/79/23/46/542792346.db2.gz	XWPRKHMMUTUHJB-MSOLQXFVSA-N	1	0	374.533	1.573	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC	ZINC000549547394	542897451	/nfs/dbraw/zinc/89/74/51/542897451.db2.gz	AYEXIHCXZOFKEY-XYPWUTKMSA-N	1	0	358.508	1.040	20	30		FDEDRO
C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)Cc3cc(C#N)ccc3F)C2)C1	ZINC000549900426	542962881	/nfs/dbraw/zinc/96/28/81/542962881.db2.gz	COAHBCJVJQFTBJ-KRWDZBQOSA-N	1	0	351.447	1.945	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1	ZINC000550343804	543074126	/nfs/dbraw/zinc/07/41/26/543074126.db2.gz	LXTZWOAWCYABHZ-IRXDYDNUSA-N	1	0	355.486	1.892	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(C(=O)c2ncc(C#N)cc2C)CC1	ZINC000552373030	543458156	/nfs/dbraw/zinc/45/81/56/543458156.db2.gz	CFRIYUKZYMRLHL-UHFFFAOYSA-N	1	0	360.458	1.461	20	30		FDEDRO
C[C@@H](CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C[NH+](C)C	ZINC000552884432	543532390	/nfs/dbraw/zinc/53/23/90/543532390.db2.gz	WCQCDMNWSAHOEP-XJKSGUPXSA-N	1	0	371.441	1.077	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](CS(C)(=O)=O)C2)CC1	ZINC000552918941	543537129	/nfs/dbraw/zinc/53/71/29/543537129.db2.gz	WREGJUQZYVXFCA-HNNXBMFYSA-N	1	0	357.520	1.493	20	30		FDEDRO
C[NH+](C)Cc1ccoc1C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1	ZINC000972083615	782005618	/nfs/dbraw/zinc/00/56/18/782005618.db2.gz	CYEDQWAQRGSGHY-NVXWUHKLSA-N	1	0	355.438	1.428	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]4CCC[C@@H]43)CC2)o1	ZINC000072693825	172047308	/nfs/dbraw/zinc/04/73/08/172047308.db2.gz	BILTYSFUIGJJCT-RDJZCZTQSA-N	1	0	357.458	1.768	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)N(C)Cc2ccc(C#N)cc2)CC1	ZINC000074657677	172084320	/nfs/dbraw/zinc/08/43/20/172084320.db2.gz	PUXPCGXRWVZCMI-KRWDZBQOSA-N	1	0	357.502	1.973	20	30		FDEDRO
N#Cc1ccccc1N1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1	ZINC000101792572	172342243	/nfs/dbraw/zinc/34/22/43/172342243.db2.gz	QEPOYTFDPZNDBL-MRXNPFEDSA-N	1	0	353.470	1.874	20	30		FDEDRO
CC[N@H+](CCNC(=O)N1CCCN(c2ncccc2C#N)CC1)C1CC1	ZINC000102064400	172345558	/nfs/dbraw/zinc/34/55/58/172345558.db2.gz	HTQQTZMINYMGMF-UHFFFAOYSA-N	1	0	356.474	1.659	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC1	ZINC000103449683	172365737	/nfs/dbraw/zinc/36/57/37/172365737.db2.gz	KRPNHPGWWINOHN-MRXNPFEDSA-N	1	0	372.469	1.338	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CCN2CCCC[C@H]2[C@H]2CNC(=O)C2)c1	ZINC000125485999	173007432	/nfs/dbraw/zinc/00/74/32/173007432.db2.gz	UHKSNFOZNNRZLL-WBVHZDCISA-N	1	0	361.467	1.323	20	30		FDEDRO
CCn1cc(C(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cn1	ZINC000126631696	173048353	/nfs/dbraw/zinc/04/83/53/173048353.db2.gz	KVWDJEBEDGMQCN-UHFFFAOYSA-N	1	0	365.437	1.692	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1	ZINC000127447160	173076468	/nfs/dbraw/zinc/07/64/68/173076468.db2.gz	YGLPWYBJSBGNGG-ZWKOTPCHSA-N	1	0	370.453	1.381	20	30		FDEDRO
CN1CC[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1=O	ZINC000129995627	173156522	/nfs/dbraw/zinc/15/65/22/173156522.db2.gz	NSPIAGDZXNTCFF-QGZVFWFLSA-N	1	0	355.442	1.006	20	30		FDEDRO
COCCC(=O)N1CCC([NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1	ZINC000133311836	173261238	/nfs/dbraw/zinc/26/12/38/173261238.db2.gz	BSDXVORNBKKPJY-AWEZNQCLSA-N	1	0	358.442	1.502	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@]2(CO)CCc3ccccc32)cc1	ZINC000136181381	173357846	/nfs/dbraw/zinc/35/78/46/173357846.db2.gz	BBWLKBILJCWCAE-LJQANCHMSA-N	1	0	356.447	1.756	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C#N)cc2F)CC1	ZINC000136171484	173357866	/nfs/dbraw/zinc/35/78/66/173357866.db2.gz	IPGWUCUNXWCARD-UHFFFAOYSA-N	1	0	362.405	1.253	20	30		FDEDRO
CCS(=O)(=O)NCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000181590853	174235114	/nfs/dbraw/zinc/23/51/14/174235114.db2.gz	SNUBNKVSWWRLNV-UHFFFAOYSA-N	1	0	350.488	1.052	20	30		FDEDRO
CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000292960574	676332225	/nfs/dbraw/zinc/33/22/25/676332225.db2.gz	AICIHPHHUXMFBU-UHFFFAOYSA-N	1	0	367.247	1.717	20	30		FDEDRO
N#Cc1ccc(NC(=O)CN2CC[NH+](C[C@@H]3CCOC3)CC2)cc1Cl	ZINC000178830991	258336703	/nfs/dbraw/zinc/33/67/03/258336703.db2.gz	SCYSVKQEOQVHEV-AWEZNQCLSA-N	1	0	362.861	1.804	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2cc(C#N)ccc2Cl)CC1	ZINC000190908014	258390242	/nfs/dbraw/zinc/39/02/42/258390242.db2.gz	HOWQODMYTBUBPN-ZDUSSCGKSA-N	1	0	370.906	1.516	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2cc(C#N)ccc2Cl)CC1	ZINC000190908028	258390433	/nfs/dbraw/zinc/39/04/33/258390433.db2.gz	HOWQODMYTBUBPN-CYBMUJFWSA-N	1	0	370.906	1.516	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2c2cccnc2)CC1	ZINC000553373546	543621567	/nfs/dbraw/zinc/62/15/67/543621567.db2.gz	GMPLJWVRNMQHFE-GOSISDBHSA-N	1	0	356.470	1.902	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@H](OCC)C23CCC3)CC1	ZINC000553372314	543621270	/nfs/dbraw/zinc/62/12/70/543621270.db2.gz	NRJUSIYIYJPFOX-SJORKVTESA-N	1	0	363.502	1.607	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](CCOC)Cc2ccco2)CC1	ZINC000553669019	543677750	/nfs/dbraw/zinc/67/77/50/543677750.db2.gz	FHSHNRJGOFCELG-MRXNPFEDSA-N	1	0	363.458	1.110	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCCC[NH+]1CCCCC1	ZINC000554279581	543774604	/nfs/dbraw/zinc/77/46/04/543774604.db2.gz	NVROCGLGDZGUGT-ROUUACIJSA-N	1	0	365.518	1.856	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1CCCCC1	ZINC000555549553	543971624	/nfs/dbraw/zinc/97/16/24/543971624.db2.gz	BYBRMWWNLGOPSA-KRWDZBQOSA-N	1	0	370.457	1.673	20	30		FDEDRO
Cc1ccc(C(=O)NCC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)cc1F	ZINC000555574455	543978359	/nfs/dbraw/zinc/97/83/59/543978359.db2.gz	MOFWSTWELSOGMQ-KRWDZBQOSA-N	1	0	371.412	1.765	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(c2cnccc2C#N)CC1)[N@@H+]1CCC[C@H](C)C1	ZINC000555535006	543967168	/nfs/dbraw/zinc/96/71/68/543967168.db2.gz	DYMAIUISFWBOKD-DLBZAZTESA-N	1	0	370.501	1.905	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N2CCC[N@H+](CC3CCC3)CC2)cc1	ZINC000555535512	543967664	/nfs/dbraw/zinc/96/76/64/543967664.db2.gz	OGIXLFKUSXBEJT-UHFFFAOYSA-N	1	0	354.454	1.622	20	30		FDEDRO
C[NH2+]CCCc1[n-][nH]c(=NC(=O)[C@H]2CCc3ccc(OC)cc32)c1C#N	ZINC000555759653	544023156	/nfs/dbraw/zinc/02/31/56/544023156.db2.gz	FERFPRXCYWENGF-AWEZNQCLSA-N	1	0	353.426	2.110	20	30		FDEDRO
CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)CC1	ZINC000556039206	544079738	/nfs/dbraw/zinc/07/97/38/544079738.db2.gz	VSBMHXQVNFLQJM-UHFFFAOYSA-N	1	0	356.470	1.753	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]CCNC(=O)Cc3cccc(F)c3)cnc12	ZINC000556228712	544120092	/nfs/dbraw/zinc/12/00/92/544120092.db2.gz	SBZHBBJGKMCIDE-UHFFFAOYSA-N	1	0	352.373	1.189	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n(CCC#N)n1	ZINC000556435202	544143635	/nfs/dbraw/zinc/14/36/35/544143635.db2.gz	AMKXFTVKPAOJTO-AWEZNQCLSA-N	1	0	372.473	1.377	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C)C[C@@H]2CC)cc1	ZINC000556685377	544175232	/nfs/dbraw/zinc/17/52/32/544175232.db2.gz	OIHAUHVWMNICAY-INIZCTEOSA-N	1	0	358.442	1.094	20	30		FDEDRO
C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)Cc1c(F)cccc1C#N	ZINC000556810951	544206038	/nfs/dbraw/zinc/20/60/38/544206038.db2.gz	UAKKVMJZGAJHTK-UHFFFAOYSA-N	1	0	363.433	1.972	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1	ZINC000557017461	544235350	/nfs/dbraw/zinc/23/53/50/544235350.db2.gz	MTWJNXACCLYSGX-UHFFFAOYSA-N	1	0	353.532	1.746	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1	ZINC000557255074	544270185	/nfs/dbraw/zinc/27/01/85/544270185.db2.gz	RGBBFQALFRPZFJ-DLBZAZTESA-N	1	0	354.458	1.173	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(Nc2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1	ZINC000557572654	544311421	/nfs/dbraw/zinc/31/14/21/544311421.db2.gz	YXQAXRWVQAZZIU-UHFFFAOYSA-N	1	0	360.418	1.403	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCc3c2cccc3OC)CC1	ZINC000557620385	544319655	/nfs/dbraw/zinc/31/96/55/544319655.db2.gz	VJBRVTPINHTPHQ-KRWDZBQOSA-N	1	0	357.454	1.565	20	30		FDEDRO
COc1cc(OC)c2ncc(C#N)c(N3CC[N@H+](CCO)[C@H](C)C3)c2c1	ZINC000557660136	544325742	/nfs/dbraw/zinc/32/57/42/544325742.db2.gz	FGGPETVRIVCDFC-CYBMUJFWSA-N	1	0	356.426	1.626	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2C[C@H](C)O)CC1	ZINC000557756955	544342537	/nfs/dbraw/zinc/34/25/37/544342537.db2.gz	WMRGYXRSMNNTIB-DOTOQJQBSA-N	1	0	351.491	1.295	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1	ZINC000557888425	544359552	/nfs/dbraw/zinc/35/95/52/544359552.db2.gz	AQJQXCDKGQDFJA-GOSISDBHSA-N	1	0	367.449	1.795	20	30		FDEDRO
N#Cc1cc2c(nc1N1CCN(C(=O)C[NH+]3CCCC3)CC1)CCCC2	ZINC000301873918	259035225	/nfs/dbraw/zinc/03/52/25/259035225.db2.gz	IAPBPRQFVGNUDG-UHFFFAOYSA-N	1	0	353.470	1.576	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2cnc(C)c(C#N)c2)C[C@@H]1[NH+]1CCCC1	ZINC000330195674	259132536	/nfs/dbraw/zinc/13/25/36/259132536.db2.gz	PHGGSNJHFIWHDX-JKSUJKDBSA-N	1	0	366.512	1.462	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1	ZINC000331045162	259174143	/nfs/dbraw/zinc/17/41/43/259174143.db2.gz	HJEGBEVBCDWHOQ-GFCCVEGCSA-N	1	0	352.416	1.618	20	30		FDEDRO
C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2ccc(C#N)s2)CC1	ZINC000331217770	259181668	/nfs/dbraw/zinc/18/16/68/259181668.db2.gz	GMXDPCSAWCBEBF-GFCCVEGCSA-N	1	0	357.501	1.333	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000331301230	259186346	/nfs/dbraw/zinc/18/63/46/259186346.db2.gz	PNPATMJBJBKADO-OLZOCXBDSA-N	1	0	366.443	1.865	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000332236285	259251566	/nfs/dbraw/zinc/25/15/66/259251566.db2.gz	GTFICIMKTXHRSE-GXTWGEPZSA-N	1	0	350.400	1.372	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1	ZINC000332409588	259264346	/nfs/dbraw/zinc/26/43/46/259264346.db2.gz	ZQTQTZGACVIROX-UZLBHIALSA-N	1	0	370.497	1.873	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCCC[C@H]1C[NH3+]	ZINC000332556060	259277040	/nfs/dbraw/zinc/27/70/40/259277040.db2.gz	RYNOEQPCMVSQPA-ILXRZTDVSA-N	1	0	357.462	1.086	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCCC[C@@H]1C[NH3+]	ZINC000332556061	259277045	/nfs/dbraw/zinc/27/70/45/259277045.db2.gz	RYNOEQPCMVSQPA-KFWWJZLASA-N	1	0	357.462	1.086	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)Nc3ccc4c(c3)C[NH2+]CC4)CC2)nc1	ZINC000333283575	259329951	/nfs/dbraw/zinc/32/99/51/259329951.db2.gz	HYOJXPNFYUFHAJ-UHFFFAOYSA-N	1	0	362.437	1.953	20	30		FDEDRO
N#Cc1ccc(SCC(=O)N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)cc1	ZINC000333467105	259350869	/nfs/dbraw/zinc/35/08/69/259350869.db2.gz	FJPVNNCZEVHFGX-INIZCTEOSA-N	1	0	372.494	1.463	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1	ZINC000333667263	259368007	/nfs/dbraw/zinc/36/80/07/259368007.db2.gz	MNPNCEJKLWARNK-AEFFLSMTSA-N	1	0	363.483	1.774	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c1	ZINC000333757136	259378483	/nfs/dbraw/zinc/37/84/83/259378483.db2.gz	ZZCIRJRSDMLDLB-MFKMUULPSA-N	1	0	356.245	1.303	20	30		FDEDRO
CCc1nnc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(C#N)c1CC	ZINC000367199037	260009100	/nfs/dbraw/zinc/00/91/00/260009100.db2.gz	AEJRSFIAYFELJV-HNAYVOBHSA-N	1	0	356.518	1.935	20	30		FDEDRO
COC(=O)[C@]12CCC[C@@H]1C[N@@H+]([C@H]1CC(=O)N(c3ccc(C#N)cc3)C1=O)C2	ZINC000368078024	260132031	/nfs/dbraw/zinc/13/20/31/260132031.db2.gz	XGVNZOPYVVALFL-IIMJZQEZSA-N	1	0	367.405	1.465	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@@]3(C)CCO[C@@H]3C3CC3)CC2)o1	ZINC000368197336	260148551	/nfs/dbraw/zinc/14/85/51/260148551.db2.gz	DEYATEYEIIMIBA-MJGOQNOKSA-N	1	0	373.457	1.051	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)cc1	ZINC000368909402	260259104	/nfs/dbraw/zinc/25/91/04/260259104.db2.gz	IHEHPCZCBASLHY-MJGOQNOKSA-N	1	0	373.453	1.011	20	30		FDEDRO
Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2CC(=O)NCc2cccc(C#N)c2)cn1	ZINC000369228409	260317050	/nfs/dbraw/zinc/31/70/50/260317050.db2.gz	QWQTWUJPRUYMQM-RBUKOAKNSA-N	1	0	367.453	1.496	20	30		FDEDRO
C[NH+](C)[C@H]1CCc2ccccc2[C@@H]1NS(=O)(=O)c1ccc(C#N)nc1	ZINC000369464256	260372464	/nfs/dbraw/zinc/37/24/64/260372464.db2.gz	BYKKANCFCGSSAM-ROUUACIJSA-N	1	0	356.451	1.849	20	30		FDEDRO
N#Cc1cccnc1N1CCCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1	ZINC000369484406	260375586	/nfs/dbraw/zinc/37/55/86/260375586.db2.gz	MOUGTTXVUQFVDG-UHFFFAOYSA-N	1	0	353.470	1.866	20	30		FDEDRO
Cc1cc(C)cc(OC[C@H](O)C[NH+]2CCC(n3cnc(C#N)n3)CC2)c1	ZINC000373411197	261008550	/nfs/dbraw/zinc/00/85/50/261008550.db2.gz	FNJQWHQOIWCYSH-QGZVFWFLSA-N	1	0	355.442	1.843	20	30		FDEDRO
Cn1cc(C[NH2+]C[C@@H]2CCCN(c3nccn4cnnc34)C2)cc1C#N	ZINC000373610240	261024394	/nfs/dbraw/zinc/02/43/94/261024394.db2.gz	JYTJIZMHLZKHFQ-AWEZNQCLSA-N	1	0	350.430	1.341	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCC[N@@H+]3CCCOCC3)C2)n1	ZINC000373673792	261029344	/nfs/dbraw/zinc/02/93/44/261029344.db2.gz	ANYYEFCTAXODGK-SFHVURJKSA-N	1	0	371.485	1.317	20	30		FDEDRO
N#Cc1ccccc1N1CCC[C@H](NS(=O)(=O)CC[NH+]2CCCC2)C1	ZINC000373718588	261034032	/nfs/dbraw/zinc/03/40/32/261034032.db2.gz	FRMZDNSGBCJMEZ-KRWDZBQOSA-N	1	0	362.499	1.542	20	30		FDEDRO
CN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000374057474	261071664	/nfs/dbraw/zinc/07/16/64/261071664.db2.gz	MGFZQHOYHPYZBV-IBGZPJMESA-N	1	0	368.481	1.994	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1	ZINC000374103840	261079115	/nfs/dbraw/zinc/07/91/15/261079115.db2.gz	BSAOINPKRFYDJY-LJQANCHMSA-N	1	0	372.425	1.256	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCN(C(=O)NCCc3cccc(C#N)c3)CC2)CCO1	ZINC000374270285	261102367	/nfs/dbraw/zinc/10/23/67/261102367.db2.gz	CZMODJYXDNHANU-INIZCTEOSA-N	1	0	356.470	1.995	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCN(C(=O)NCCc3cccc(C#N)c3)CC2)CCO1	ZINC000374270286	261102371	/nfs/dbraw/zinc/10/23/71/261102371.db2.gz	CZMODJYXDNHANU-MRXNPFEDSA-N	1	0	356.470	1.995	20	30		FDEDRO
CN1CCN(C2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)C(=O)C1	ZINC000374735952	261185240	/nfs/dbraw/zinc/18/52/40/261185240.db2.gz	QJUNFXUPVWXWKG-UHFFFAOYSA-N	1	0	369.469	1.125	20	30		FDEDRO
CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCCN(c3ccccc3C#N)CC2)C1	ZINC000374860645	261212883	/nfs/dbraw/zinc/21/28/83/261212883.db2.gz	ZAEVWTIOAAWWGM-INIZCTEOSA-N	1	0	362.499	1.352	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)cc1	ZINC000375468309	261346892	/nfs/dbraw/zinc/34/68/92/261346892.db2.gz	FJBKOSMBEJFEAW-MISYRCLQSA-N	1	0	359.470	1.531	20	30		FDEDRO
N#Cc1ccc(S(N)(=O)=O)cc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1	ZINC000376402421	261558991	/nfs/dbraw/zinc/55/89/91/261558991.db2.gz	IMIFZJUUSYQJKP-PBHICJAKSA-N	1	0	360.483	1.659	20	30		FDEDRO
CN1CCO[C@H]2CCN(C(=O)c3cccc(C#N)c3Br)C[C@@H]21	ZINC000408457592	262110318	/nfs/dbraw/zinc/11/03/18/262110318.db2.gz	BQHWMQPVCYMSKF-KBPBESRZSA-N	1	0	364.243	1.866	20	30		FDEDRO
CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H](C)n1cnc(C#N)n1	ZINC000409930535	262146292	/nfs/dbraw/zinc/14/62/92/262146292.db2.gz	HMWWCGPPUFQGCY-RDJZCZTQSA-N	1	0	354.458	1.984	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1	ZINC000892186729	782041676	/nfs/dbraw/zinc/04/16/76/782041676.db2.gz	BSLBXKZXCYNUAV-QGPMSJSTSA-N	1	0	371.460	1.917	20	30		FDEDRO
C=CCc1cc(C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)cc(OC)c1O	ZINC000271149148	674315670	/nfs/dbraw/zinc/31/56/70/674315670.db2.gz	AAQXUBLKHGSMNP-ZDUSSCGKSA-N	1	0	354.472	1.630	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3c(c2)NC(=O)CO3)c1C#N	ZINC000534056139	490313587	/nfs/dbraw/zinc/31/35/87/490313587.db2.gz	KPEIXAGYQJGFLT-UHFFFAOYSA-N	1	0	354.370	1.017	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)nn1CCC#N	ZINC000504558161	490804829	/nfs/dbraw/zinc/80/48/29/490804829.db2.gz	BAVYTAFSZOROKH-DZGCQCFKSA-N	1	0	360.462	1.423	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)nn1CCC#N	ZINC000600011724	492229409	/nfs/dbraw/zinc/22/94/09/492229409.db2.gz	IOVSAKBCWCJBEQ-INIZCTEOSA-N	1	0	372.473	1.567	20	30		FDEDRO
C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1	ZINC000611598077	492290892	/nfs/dbraw/zinc/29/08/92/492290892.db2.gz	RSWMFQDOOYSBJC-LBPRGKRZSA-N	1	0	370.388	1.032	20	30		FDEDRO
N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1	ZINC000041897533	519671269	/nfs/dbraw/zinc/67/12/69/519671269.db2.gz	HSHQVNTXNKZIHD-QGZVFWFLSA-N	1	0	370.453	1.458	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH2+]CCS(=O)(=O)NCC2CCC2)cc1	ZINC000068987090	521777855	/nfs/dbraw/zinc/77/78/55/521777855.db2.gz	NITBZNYEKCCLPB-UHFFFAOYSA-N	1	0	364.515	1.846	20	30		FDEDRO
CC[NH+](CC)[C@@H](CNS(=O)(=O)N(C)CCC#N)Cc1ccccc1	ZINC000042994247	521806734	/nfs/dbraw/zinc/80/67/34/521806734.db2.gz	BHPQDKDPTITUPE-QGZVFWFLSA-N	1	0	352.504	1.619	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1	ZINC000043168245	521835389	/nfs/dbraw/zinc/83/53/89/521835389.db2.gz	PTJGOWALKGYMNT-UHFFFAOYSA-N	1	0	356.474	1.658	20	30		FDEDRO
Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(=O)[nH]1	ZINC000069537688	521911115	/nfs/dbraw/zinc/91/11/15/521911115.db2.gz	PCKLPYGUTMVAHI-UHFFFAOYSA-N	1	0	350.422	1.903	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Cc1csc(-c2cnccn2)n1	ZINC000069576254	521918351	/nfs/dbraw/zinc/91/83/51/521918351.db2.gz	JRVYINBPDBUJBW-UHFFFAOYSA-N	1	0	358.471	1.837	20	30		FDEDRO
C=CCNC(=[NH2+])NCCCNC(=O)c1cc(OC)ccc1Br	ZINC000069672861	521930622	/nfs/dbraw/zinc/93/06/22/521930622.db2.gz	UJPWCOADAFBIKU-UHFFFAOYSA-N	1	0	369.263	1.668	20	30		FDEDRO
CCN1CC[NH+](CCCCNC(=O)NCc2ccc(OCC#N)cc2)CC1	ZINC000069770766	521952443	/nfs/dbraw/zinc/95/24/43/521952443.db2.gz	HYMCAOFWEDTSKF-UHFFFAOYSA-N	1	0	373.501	1.806	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)CC1	ZINC000057170561	522022033	/nfs/dbraw/zinc/02/20/33/522022033.db2.gz	RPKHKSDLORXBDU-UHFFFAOYSA-N	1	0	372.488	1.409	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)c3ccc(C)cc3)CC2)CC1	ZINC000057171343	522022631	/nfs/dbraw/zinc/02/26/31/522022631.db2.gz	RLHOWFPBOAZBMM-UHFFFAOYSA-N	1	0	353.466	1.625	20	30		FDEDRO
CC[NH+](CC)CCNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O	ZINC000071093396	522099233	/nfs/dbraw/zinc/09/92/33/522099233.db2.gz	JJONGRWOBSQIHB-MRXNPFEDSA-N	1	0	371.441	1.221	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)ccc1F	ZINC000057708135	522138431	/nfs/dbraw/zinc/13/84/31/522138431.db2.gz	UNIUNPFISCTNAB-GFCCVEGCSA-N	1	0	369.462	1.503	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)CN2CC[NH+](C[C@@H]3CCCO3)CC2)cc1	ZINC000057942034	522191032	/nfs/dbraw/zinc/19/10/32/522191032.db2.gz	VDJGHUPNGHPOND-ICSRJNTNSA-N	1	0	359.470	1.289	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@@H](CC(C)C)C3)CC2)o1	ZINC000072491895	522311310	/nfs/dbraw/zinc/31/13/10/522311310.db2.gz	YFFYXPAUXWMVCU-INIZCTEOSA-N	1	0	359.474	1.871	20	30		FDEDRO
N#Cc1cccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)c1	ZINC000072602330	522330665	/nfs/dbraw/zinc/33/06/65/522330665.db2.gz	QYOMRUUWIMPLNW-GOSISDBHSA-N	1	0	370.453	1.600	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000072869309	522412014	/nfs/dbraw/zinc/41/20/14/522412014.db2.gz	INCBSRRBPDGNIT-WMZOPIPTSA-N	1	0	358.486	1.841	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC4(C3)CCOCC4)CC2)o1	ZINC000072899326	522423457	/nfs/dbraw/zinc/42/34/57/522423457.db2.gz	YFRFXORJZMWUHY-UHFFFAOYSA-N	1	0	373.457	1.006	20	30		FDEDRO
CC[NH+]=C(NCc1c(C)noc1C)N1CCN(C(=O)c2ccco2)CC1	ZINC000073179996	522484894	/nfs/dbraw/zinc/48/48/94/522484894.db2.gz	LOPCFAUNAZWEHP-UHFFFAOYSA-N	1	0	359.430	1.808	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(NCc2ccccc2Cl)=[NH+]C2CC2)C1	ZINC000073235061	522493087	/nfs/dbraw/zinc/49/30/87/522493087.db2.gz	UJHQKNSAMNVYAB-GFCCVEGCSA-N	1	0	355.891	1.972	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000073558599	522547564	/nfs/dbraw/zinc/54/75/64/522547564.db2.gz	BLWQTHXWDNRGJJ-HNNXBMFYSA-N	1	0	364.471	1.093	20	30		FDEDRO
C[C@@H](CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[NH+]1CCCC1	ZINC000073571840	522550511	/nfs/dbraw/zinc/55/05/11/522550511.db2.gz	FIVLLGZYGRXWQI-AWEZNQCLSA-N	1	0	364.471	1.093	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@]2(CNC(=O)C2)C1)C(C)C	ZINC000073710726	522593110	/nfs/dbraw/zinc/59/31/10/522593110.db2.gz	HITQEHVMZBTOSP-YLJYHZDGSA-N	1	0	362.518	1.997	20	30		FDEDRO
CC(C)OCCCNC(=O)C1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1	ZINC000047769413	522598618	/nfs/dbraw/zinc/59/86/18/522598618.db2.gz	KQQDEFPZPOIILZ-MRXNPFEDSA-N	1	0	366.506	1.390	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CC1(N2CCOCC2)CCCCC1	ZINC000073884289	522626614	/nfs/dbraw/zinc/62/66/14/522626614.db2.gz	SPRZINATASAVEE-HNNXBMFYSA-N	1	0	352.479	1.011	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCNC(=O)[C@@H]2c2cccs2)CC1	ZINC000074130020	522689199	/nfs/dbraw/zinc/68/91/99/522689199.db2.gz	UPBYQKJDCGRAEE-INIZCTEOSA-N	1	0	362.499	1.971	20	30		FDEDRO
CCN(C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)[C@H](C)c1ccc(C#N)cc1	ZINC000074228080	522723507	/nfs/dbraw/zinc/72/35/07/522723507.db2.gz	GGDDZDUYRKOQLJ-QAPCUYQASA-N	1	0	356.470	1.878	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(CCOC(C)C)CC2)CC1	ZINC000074877138	522849738	/nfs/dbraw/zinc/84/97/38/522849738.db2.gz	PWGLLWSZULHBKO-UHFFFAOYSA-N	1	0	352.523	1.779	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H](C)c2cccc(C#N)c2)CC1	ZINC000074918608	522854326	/nfs/dbraw/zinc/85/43/26/522854326.db2.gz	PALXENKOPPENFU-INIZCTEOSA-N	1	0	371.485	1.815	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NCC[NH+]1CCC(C)CC1	ZINC000076239146	523053716	/nfs/dbraw/zinc/05/37/16/523053716.db2.gz	VLLNLSZFODQMLD-UHFFFAOYSA-N	1	0	361.417	1.624	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1	ZINC000076272359	523061226	/nfs/dbraw/zinc/06/12/26/523061226.db2.gz	OSGHLRRREYOLFM-HNNXBMFYSA-N	1	0	359.401	1.473	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)[C@@H](C)Oc1ccccc1C#N)[NH+]1CCN(C)CC1	ZINC000076484058	523123040	/nfs/dbraw/zinc/12/30/40/523123040.db2.gz	RNCROTPIIZFHHY-SJLPKXTDSA-N	1	0	358.486	1.714	20	30		FDEDRO
CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)C1	ZINC000076666772	523164294	/nfs/dbraw/zinc/16/42/94/523164294.db2.gz	MFBCBUMNMXTLEW-INIZCTEOSA-N	1	0	370.457	1.857	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(C(=O)NCc2ccccc2)CC1	ZINC000052685164	523241245	/nfs/dbraw/zinc/24/12/45/523241245.db2.gz	YCCHQHBHOOWNDO-INIZCTEOSA-N	1	0	356.470	1.775	20	30		FDEDRO
N#Cc1ncn(CC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1	ZINC000053620527	523475991	/nfs/dbraw/zinc/47/59/91/523475991.db2.gz	VJXCZOPJIBKRKU-UHFFFAOYSA-N	1	0	358.833	1.584	20	30		FDEDRO
C=C(C)C[N@@H+](CC)CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1	ZINC000078606590	523613339	/nfs/dbraw/zinc/61/33/39/523613339.db2.gz	CYBAWCORWXNQTM-UHFFFAOYSA-N	1	0	359.470	1.673	20	30		FDEDRO
COCCN1C(=O)C[C@@H](C[NH2+]Cc2ccc(C#N)o2)[C@@H]1c1cnn(C)c1C	ZINC000275211562	523798056	/nfs/dbraw/zinc/79/80/56/523798056.db2.gz	AZSJGXJARSESHT-IFXJQAMLSA-N	1	0	371.441	1.519	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1	ZINC000080466193	523881797	/nfs/dbraw/zinc/88/17/97/523881797.db2.gz	PXUKEIVUJVNEGS-QGZVFWFLSA-N	1	0	370.497	1.986	20	30		FDEDRO
C[NH+]=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)NCC1CC1	ZINC000080520553	523887198	/nfs/dbraw/zinc/88/71/98/523887198.db2.gz	BJWMNTBWOVGWGG-UHFFFAOYSA-N	1	0	364.515	1.936	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1	ZINC000156549375	524100583	/nfs/dbraw/zinc/10/05/83/524100583.db2.gz	QCIYTEBRHPPIBU-ZFWWWQNUSA-N	1	0	351.472	1.350	20	30		FDEDRO
COc1ccc(C[NH+]2CCC(CNC(=O)c3cnn(C)c3)CC2)cc1C#N	ZINC000135090855	524113131	/nfs/dbraw/zinc/11/31/31/524113131.db2.gz	MOQMPBAYKBWHKT-UHFFFAOYSA-N	1	0	367.453	1.942	20	30		FDEDRO
CC[C@@H](C#N)NC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C	ZINC000135538019	524150937	/nfs/dbraw/zinc/15/09/37/524150937.db2.gz	QQCSTQIJUNXYIF-AWEZNQCLSA-N	1	0	366.487	1.257	20	30		FDEDRO
C=CCCC[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000121121746	524158538	/nfs/dbraw/zinc/15/85/38/524158538.db2.gz	FSSWNDIEPJQYIT-KBPBESRZSA-N	1	0	353.488	1.798	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](S(=O)(=O)NC(C)C)C2)CC1	ZINC000136212637	524189491	/nfs/dbraw/zinc/18/94/91/524189491.db2.gz	GQEJACRVUGWZKW-MRXNPFEDSA-N	1	0	372.535	1.139	20	30		FDEDRO
C=CCNc1ncc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)s1	ZINC000136290507	524192249	/nfs/dbraw/zinc/19/22/49/524192249.db2.gz	CBVQWQAOJXZLLD-CYBMUJFWSA-N	1	0	350.488	1.972	20	30		FDEDRO
C=CC1CC[NH+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC1	ZINC000111260094	524237659	/nfs/dbraw/zinc/23/76/59/524237659.db2.gz	MRDSAQLONAPTGW-UHFFFAOYSA-N	1	0	371.481	1.673	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000111269820	524243065	/nfs/dbraw/zinc/24/30/65/524243065.db2.gz	OLXWWBPVRIJSFS-GFCCVEGCSA-N	1	0	360.483	1.895	20	30		FDEDRO
CCNC(=O)C(C)(C)CNC(=[NH2+])NCCc1ccc(OC)c(OC)c1	ZINC000157404419	524267622	/nfs/dbraw/zinc/26/76/22/524267622.db2.gz	XRJUEYVAFJHIES-UHFFFAOYSA-N	1	0	350.463	1.313	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)c1ccc(S(C)(=O)=O)cc1	ZINC000084586969	524317450	/nfs/dbraw/zinc/31/74/50/524317450.db2.gz	XFHMWVUFBQBCIW-OAHLLOKOSA-N	1	0	365.499	1.888	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2ccccc2C#N)CC1	ZINC000111866234	524366639	/nfs/dbraw/zinc/36/66/39/524366639.db2.gz	LDAJDUGKVOWJTP-GOSISDBHSA-N	1	0	371.485	1.501	20	30		FDEDRO
C[N@H+](CCCNC(=O)C(=O)Nc1ccn(CCC#N)n1)C1CCCCC1	ZINC000086446736	524389508	/nfs/dbraw/zinc/38/95/08/524389508.db2.gz	NKNJYFUNLWRJEB-UHFFFAOYSA-N	1	0	360.462	1.506	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)CC1	ZINC000112111652	524406446	/nfs/dbraw/zinc/40/64/46/524406446.db2.gz	JTPKQODLGMWMBP-GOSISDBHSA-N	1	0	361.490	1.642	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc([S@](C)=O)cc1	ZINC000122113260	524453214	/nfs/dbraw/zinc/45/32/14/524453214.db2.gz	STKXGSRZABYABU-RUZDIDTESA-N	1	0	364.471	1.056	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)ccc1N(C)C	ZINC000122131210	524457945	/nfs/dbraw/zinc/45/79/45/524457945.db2.gz	KRSZYBGVRAXZSV-UHFFFAOYSA-N	1	0	359.474	1.694	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1c[nH]nc1-c1ccccn1	ZINC000122124496	524458411	/nfs/dbraw/zinc/45/84/11/524458411.db2.gz	RGASXKJXYVCZJI-UHFFFAOYSA-N	1	0	369.429	1.104	20	30		FDEDRO
CCC[NH+]1CCC(N2CCN(S(=O)(=O)CCCCC#N)CC2)CC1	ZINC000112365622	524471527	/nfs/dbraw/zinc/47/15/27/524471527.db2.gz	MVRVYFQULQJOEO-UHFFFAOYSA-N	1	0	356.536	1.502	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000112550289	524505021	/nfs/dbraw/zinc/50/50/21/524505021.db2.gz	DDVQOJVDGYDWJX-GHMZBOCLSA-N	1	0	356.455	1.632	20	30		FDEDRO
C[C@H](CNC(=[NH2+])NCCCN1CCOCC1)c1nc(-c2ccccc2)no1	ZINC000089595505	524513055	/nfs/dbraw/zinc/51/30/55/524513055.db2.gz	AORDCHGXWFPBMC-OAHLLOKOSA-N	1	0	372.473	1.467	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CCc2cccc([N+](=O)[O-])c2)c1C#N	ZINC000089674235	524517481	/nfs/dbraw/zinc/51/74/81/524517481.db2.gz	QUROWGXHXRGKJL-UHFFFAOYSA-N	1	0	356.386	1.913	20	30		FDEDRO
O=C(C#Cc1ccc2c(c1)OCO2)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1	ZINC000122431738	524535093	/nfs/dbraw/zinc/53/50/93/524535093.db2.gz	WRSLNMHHCIQXMA-ZWKOTPCHSA-N	1	0	370.449	1.651	20	30		FDEDRO
C=CCCOCCNC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1	ZINC000122449890	524539658	/nfs/dbraw/zinc/53/96/58/524539658.db2.gz	YAQXQRZIZDDXBD-UHFFFAOYSA-N	1	0	360.502	1.826	20	30		FDEDRO
Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000089942771	524553397	/nfs/dbraw/zinc/55/33/97/524553397.db2.gz	GLASWWBPYQECLK-OAHLLOKOSA-N	1	0	368.485	1.784	20	30		FDEDRO
COC(=O)c1cccc(OCC[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1	ZINC000089943258	524556957	/nfs/dbraw/zinc/55/69/57/524556957.db2.gz	QBPSVDGXWICCOQ-UHFFFAOYSA-N	1	0	357.414	1.594	20	30		FDEDRO
Cc1cccc(C)c1OC[C@@H](O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000089943306	524557814	/nfs/dbraw/zinc/55/78/14/524557814.db2.gz	GJHWHDTWFLAUHC-HNNXBMFYSA-N	1	0	357.458	1.785	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NCCNS(=O)(=O)c2ccc(C)s2)cc1	ZINC000151424117	524571472	/nfs/dbraw/zinc/57/14/72/524571472.db2.gz	UNAPETCQLXAUTR-UHFFFAOYSA-N	1	0	368.484	1.770	20	30		FDEDRO
C=C(C)COCC[NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1	ZINC000159101627	524594411	/nfs/dbraw/zinc/59/44/11/524594411.db2.gz	LBSKMFUWJBSFBS-UHFFFAOYSA-N	1	0	356.492	1.362	20	30		FDEDRO
C=C(C)COCC[NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000090450791	524594576	/nfs/dbraw/zinc/59/45/76/524594576.db2.gz	JYXOBZQSNIPRNZ-INIZCTEOSA-N	1	0	368.499	1.951	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c1C#N	ZINC000174615894	524655086	/nfs/dbraw/zinc/65/50/86/524655086.db2.gz	DPPWLBCZAIZFTA-SFHVURJKSA-N	1	0	371.485	1.193	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CC1	ZINC000091221521	524668185	/nfs/dbraw/zinc/66/81/85/524668185.db2.gz	LYKZTAQARSZVMW-UHFFFAOYSA-N	1	0	358.446	1.431	20	30		FDEDRO
C#CCOc1ccc(C[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)cc1	ZINC000113341617	524671697	/nfs/dbraw/zinc/67/16/97/524671697.db2.gz	ZLOWBVGWRJOUOW-GOSISDBHSA-N	1	0	366.483	1.277	20	30		FDEDRO
CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N[C@@H](C)CC#N)c2)CC1	ZINC000123101841	524681305	/nfs/dbraw/zinc/68/13/05/524681305.db2.gz	FRHGNNXUZWLNJG-HNNXBMFYSA-N	1	0	357.458	1.574	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)C[NH+]1CCCC1	ZINC000123204093	524702114	/nfs/dbraw/zinc/70/21/14/524702114.db2.gz	ZNMGKHDPDHYIJG-HZPDHXFCSA-N	1	0	371.489	1.300	20	30		FDEDRO
C[NH+]=C(NCc1nccn1C(F)F)N1CCN(C(=O)c2ccco2)CC1	ZINC000114006277	524734203	/nfs/dbraw/zinc/73/42/03/524734203.db2.gz	KZNPRYUOLJLOEO-UHFFFAOYSA-N	1	0	366.372	1.405	20	30		FDEDRO
CNS(=O)(=O)c1cccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)c1	ZINC000123417937	524749309	/nfs/dbraw/zinc/74/93/09/524749309.db2.gz	OWPTUVPPMPBMDT-UHFFFAOYSA-N	1	0	355.423	1.404	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)c1cccc(F)c1	ZINC000123507127	524765613	/nfs/dbraw/zinc/76/56/13/524765613.db2.gz	GLBOWCZXZOUOLS-HNNXBMFYSA-N	1	0	372.404	1.293	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)C2=Cc3cc(F)ccc3OC2)c1C#N	ZINC000160122800	524813812	/nfs/dbraw/zinc/81/38/12/524813812.db2.gz	VDQURYRTJKXDHP-UHFFFAOYSA-N	1	0	355.373	1.987	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH+]1CCC(C(=O)NCc2ccccc2)CC1	ZINC000092793078	524917573	/nfs/dbraw/zinc/91/75/73/524917573.db2.gz	CJWSGRHLPCEWQK-UHFFFAOYSA-N	1	0	356.470	1.777	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCN1Cc1ccccc1	ZINC000160666614	524943260	/nfs/dbraw/zinc/94/32/60/524943260.db2.gz	GCRUEDWNTLJRES-WOJBJXKFSA-N	1	0	367.497	1.890	20	30		FDEDRO
CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2ccccc2C#N)CC1	ZINC000124450764	524991143	/nfs/dbraw/zinc/99/11/43/524991143.db2.gz	MYDTWHAOXYQQRK-UHFFFAOYSA-N	1	0	351.472	1.726	20	30		FDEDRO
C=CCOc1ccc(C[N@H+](C)C[C@@H](O)CN2CCOCC2)cc1OC	ZINC000093583641	524994683	/nfs/dbraw/zinc/99/46/83/524994683.db2.gz	QFNBVHXHAFLGLD-QGZVFWFLSA-N	1	0	350.459	1.385	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(-n2cnnn2)ccc1F	ZINC000175735981	524998193	/nfs/dbraw/zinc/99/81/93/524998193.db2.gz	DWVPHQIROZSUAN-UHFFFAOYSA-N	1	0	360.397	1.501	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CCC(C[NH2+]CC)CC3)cc2C1=O	ZINC000161013067	525016222	/nfs/dbraw/zinc/01/62/22/525016222.db2.gz	DBQPBXHHTSHQID-UHFFFAOYSA-N	1	0	355.438	1.930	20	30		FDEDRO
C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1	ZINC000152854293	525026494	/nfs/dbraw/zinc/02/64/94/525026494.db2.gz	CRULNILTDFWUDJ-OCCSQVGLSA-N	1	0	364.427	1.571	20	30		FDEDRO
N#C[C@H]1CN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCO1	ZINC000175935142	525028513	/nfs/dbraw/zinc/02/85/13/525028513.db2.gz	BSTYLWGXEGLASR-INIZCTEOSA-N	1	0	350.463	1.203	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cccc(SCC#N)c2)CC1	ZINC000176043683	525044841	/nfs/dbraw/zinc/04/48/41/525044841.db2.gz	DMSVQDJGUJOALC-UHFFFAOYSA-N	1	0	374.510	1.928	20	30		FDEDRO
C[NH+]=C(NCc1cccc2c1OCO2)NCC1(C(=O)N(C)C)CCCC1	ZINC000176241971	525070164	/nfs/dbraw/zinc/07/01/64/525070164.db2.gz	NRXYOZXSBQZSJU-UHFFFAOYSA-N	1	0	360.458	1.729	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(Cc3ccc(Cl)nc3)CC2)CC1	ZINC000116086597	525100326	/nfs/dbraw/zinc/10/03/26/525100326.db2.gz	HGOCXZDXTKDSLU-UHFFFAOYSA-N	1	0	360.889	1.724	20	30		FDEDRO
Cc1cccc(S(=O)(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c1C#N	ZINC000161656453	525145548	/nfs/dbraw/zinc/14/55/48/525145548.db2.gz	LOMDGDJQSVNOEB-HNNXBMFYSA-N	1	0	351.472	1.238	20	30		FDEDRO
CC1CC[NH+](C[C@H](O)CNS(=O)(=O)c2ccc(Cl)cc2C#N)CC1	ZINC000161669752	525147678	/nfs/dbraw/zinc/14/76/78/525147678.db2.gz	VQDPIWNHWBUMAX-OAHLLOKOSA-N	1	0	371.890	1.583	20	30		FDEDRO
C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153277132	525164931	/nfs/dbraw/zinc/16/49/31/525164931.db2.gz	NBGBFCNMEPDHOS-SNVBAGLBSA-N	1	0	361.837	1.804	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)NC(=O)Nc1ccccc1	ZINC000153312609	525174716	/nfs/dbraw/zinc/17/47/16/525174716.db2.gz	OCWJURYDHXOXCP-UHFFFAOYSA-N	1	0	355.402	1.076	20	30		FDEDRO
C[NH+]=C(NCc1ncc(C(C)(C)C)o1)N1CCO[C@H](c2cnn(C)c2)C1	ZINC000153318330	525176391	/nfs/dbraw/zinc/17/63/91/525176391.db2.gz	DALBUWQZPIUOJI-AWEZNQCLSA-N	1	0	360.462	1.855	20	30		FDEDRO
CC(=O)c1cccc(NC(=O)CN(C)CCCc2[nH]nc(N)c2C#N)c1	ZINC000125447330	525201056	/nfs/dbraw/zinc/20/10/56/525201056.db2.gz	RYBRCJBUHJJKKA-UHFFFAOYSA-N	1	0	354.414	1.569	20	30		FDEDRO
C[NH+](C)C1CCN(CCNS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1	ZINC000176920000	525202793	/nfs/dbraw/zinc/20/27/93/525202793.db2.gz	SMUJXTUSXXUADF-UHFFFAOYSA-N	1	0	370.906	1.516	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)NCCc1ccc(Cl)cc1	ZINC000125494680	525206691	/nfs/dbraw/zinc/20/66/91/525206691.db2.gz	ICBXVGXTGSYVBE-UHFFFAOYSA-N	1	0	374.876	1.740	20	30		FDEDRO
CC(C)CC[N@H+](CCC#N)CCC(=O)N1CCN(c2ncccn2)CC1	ZINC000177031244	525224196	/nfs/dbraw/zinc/22/41/96/525224196.db2.gz	FSBNKTBEGCPURP-UHFFFAOYSA-N	1	0	358.490	1.777	20	30		FDEDRO
CC[NH+]=C(NC[C@H](O)c1ccc(F)cc1)N[C@H]1CCCn2nc(C)nc21	ZINC000153616260	525265226	/nfs/dbraw/zinc/26/52/26/525265226.db2.gz	XVZMQRFPGXZPTQ-HOTGVXAUSA-N	1	0	360.437	1.849	20	30		FDEDRO
C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000177447164	525291155	/nfs/dbraw/zinc/29/11/55/525291155.db2.gz	UYVIFNMHAUDWRV-DOTOQJQBSA-N	1	0	352.442	1.929	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1	ZINC000177470445	525295527	/nfs/dbraw/zinc/29/55/27/525295527.db2.gz	OUNWKLVGLVHSGQ-HOTGVXAUSA-N	1	0	363.483	1.201	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1	ZINC000177490489	525300247	/nfs/dbraw/zinc/30/02/47/525300247.db2.gz	SFQXZXZPUQFBPX-CVEARBPZSA-N	1	0	365.499	1.754	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000103123623	525327781	/nfs/dbraw/zinc/32/77/81/525327781.db2.gz	YRLXVUZAUWJGLO-INIZCTEOSA-N	1	0	370.453	1.092	20	30		FDEDRO
N#Cc1cc(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)ccc1F	ZINC000103238178	525340053	/nfs/dbraw/zinc/34/00/53/525340053.db2.gz	UDWHXRDNGBHUTB-UHFFFAOYSA-N	1	0	359.405	1.469	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1	ZINC000162970775	525344466	/nfs/dbraw/zinc/34/44/66/525344466.db2.gz	XMFPJFNDZFPSSN-GOSISDBHSA-N	1	0	355.438	1.253	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc(-n2cncn2)cc1	ZINC000163065294	525355900	/nfs/dbraw/zinc/35/59/00/525355900.db2.gz	WBDZTGHKSDYRLP-HNNXBMFYSA-N	1	0	351.414	1.574	20	30		FDEDRO
CC[NH+](CC)CCOc1ccccc1CNC(=O)Cn1cnc(C#N)n1	ZINC000178421897	525426448	/nfs/dbraw/zinc/42/64/48/525426448.db2.gz	GQNSDWPEHARAJK-UHFFFAOYSA-N	1	0	356.430	1.187	20	30		FDEDRO
N#Cc1ncn(CC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)n1	ZINC000178474199	525434227	/nfs/dbraw/zinc/43/42/27/525434227.db2.gz	CIOLMQYSAUIRIA-UHFFFAOYSA-N	1	0	352.442	1.842	20	30		FDEDRO
CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cn1cnc(C#N)n1	ZINC000178650400	525458012	/nfs/dbraw/zinc/45/80/12/525458012.db2.gz	HASQLIATEASRNR-KRWDZBQOSA-N	1	0	352.442	1.520	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCCc3ccccn3)=[NH+]C[C@H]2C1	ZINC000178767392	525479511	/nfs/dbraw/zinc/47/95/11/525479511.db2.gz	UXJNTLJKFDNXAL-INIZCTEOSA-N	1	0	359.474	1.895	20	30		FDEDRO
CC(C)CNS(=O)(=O)c1ccc(CNC(=[NH2+])Nc2ccccn2)cc1	ZINC000179394452	525573836	/nfs/dbraw/zinc/57/38/36/525573836.db2.gz	MGCBQHHDYIEVCL-UHFFFAOYSA-N	1	0	361.471	1.943	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)c1	ZINC000154744986	525627085	/nfs/dbraw/zinc/62/70/85/525627085.db2.gz	VTJFLISFALNWLZ-IBGZPJMESA-N	1	0	369.465	1.708	20	30		FDEDRO
CN(CC[NH+](C)C)C(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	ZINC000154767913	525632523	/nfs/dbraw/zinc/63/25/23/525632523.db2.gz	JHIOIQPMPUMIMK-UHFFFAOYSA-N	1	0	357.439	1.640	20	30		FDEDRO
C=CCC[C@@H]([NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccccc1	ZINC000180040573	525654237	/nfs/dbraw/zinc/65/42/37/525654237.db2.gz	NMSJJUOTPSAVPN-CQSZACIVSA-N	1	0	356.426	1.146	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1ccc(F)cc1Br	ZINC000170908787	525764782	/nfs/dbraw/zinc/76/47/82/525764782.db2.gz	JQCZBQKRKBPYSO-UHFFFAOYSA-N	1	0	373.270	1.715	20	30		FDEDRO
C=CCCS(=O)(=O)NCc1ccccc1CN1CC[NH+](CC)CC1	ZINC000130573684	525770975	/nfs/dbraw/zinc/77/09/75/525770975.db2.gz	GLCKHXNOFLOUGZ-UHFFFAOYSA-N	1	0	351.516	1.820	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c(F)c1	ZINC000170935829	525778454	/nfs/dbraw/zinc/77/84/54/525778454.db2.gz	FSHGFQZIMPVFJK-UHFFFAOYSA-N	1	0	373.432	1.147	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NC[C@@]2(O)CCc3ccccc32)cc1OC	ZINC000130918010	525807089	/nfs/dbraw/zinc/80/70/89/525807089.db2.gz	HQKMTFGAODXLDM-NRFANRHFSA-N	1	0	369.465	1.985	20	30		FDEDRO
C=C(C)C[N@@H+](C)CC(=O)N1CCN(CC(=O)Nc2ccccc2CC)CC1	ZINC000181279638	525831743	/nfs/dbraw/zinc/83/17/43/525831743.db2.gz	MXNHNNYJPDOSEG-UHFFFAOYSA-N	1	0	372.513	1.840	20	30		FDEDRO
C[NH+](C)Cc1ccc(CNC(=O)CNC(=O)c2ccc(C#N)cc2)cc1	ZINC000171107257	525849584	/nfs/dbraw/zinc/84/95/84/525849584.db2.gz	ZYOGOOSNPVFRAI-UHFFFAOYSA-N	1	0	350.422	1.666	20	30		FDEDRO
CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1	ZINC000181560247	525873681	/nfs/dbraw/zinc/87/36/81/525873681.db2.gz	CTYRVICJTUHAQK-KRWDZBQOSA-N	1	0	350.488	1.550	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccn(CCC#N)n2)C1	ZINC000155478278	525876143	/nfs/dbraw/zinc/87/61/43/525876143.db2.gz	YHCMAQFDVOGTBU-HNNXBMFYSA-N	1	0	360.462	1.219	20	30		FDEDRO
COC[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1ccccc1	ZINC000181674952	525889272	/nfs/dbraw/zinc/88/92/72/525889272.db2.gz	QFPPHTIWYFRGAI-RTBURBONSA-N	1	0	358.486	1.656	20	30		FDEDRO
N#CCOc1ccccc1C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1	ZINC000119875325	525894952	/nfs/dbraw/zinc/89/49/52/525894952.db2.gz	AOBVLHVDYHXYLV-GOSISDBHSA-N	1	0	365.433	1.738	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C(N)=O)s1	ZINC000171206748	525898233	/nfs/dbraw/zinc/89/82/33/525898233.db2.gz	AMJZPQVLCOJHJJ-UHFFFAOYSA-N	1	0	356.451	1.923	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N)C[NH+]1CCCC1	ZINC000181734980	525911903	/nfs/dbraw/zinc/91/19/03/525911903.db2.gz	CRGRWDROFGIEQX-CABCVRRESA-N	1	0	358.442	1.764	20	30		FDEDRO
C=CCNc1ncc(C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)s1	ZINC000131981552	525925881	/nfs/dbraw/zinc/92/58/81/525925881.db2.gz	XEFVVNHRZKGNKN-CYBMUJFWSA-N	1	0	363.487	1.120	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CN(Cc2ccccc2)CCO1	ZINC000132015765	525928527	/nfs/dbraw/zinc/92/85/27/525928527.db2.gz	KKBAENYKHURNQE-LJQANCHMSA-N	1	0	358.486	1.581	20	30		FDEDRO
CC(C)NC(=O)CON=C(N)CCN1CC[NH+](Cc2ccccc2)CC1	ZINC000108351941	525957434	/nfs/dbraw/zinc/95/74/34/525957434.db2.gz	QWVPTDFTZWVTOV-UHFFFAOYSA-N	1	0	361.490	1.008	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000181876130	525965605	/nfs/dbraw/zinc/96/56/05/525965605.db2.gz	IGSIJJHWVINMBC-CABCVRRESA-N	1	0	354.410	1.389	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1	ZINC000181914551	525978338	/nfs/dbraw/zinc/97/83/38/525978338.db2.gz	LENOBEUUDWPYCA-BFYDXBDKSA-N	1	0	370.453	1.859	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H](CC(N)=O)C3CCOCC3)C2=O)cc1	ZINC000181932661	525986536	/nfs/dbraw/zinc/98/65/36/525986536.db2.gz	SFLIXOUUJGAEJS-QZTJIDSGSA-N	1	0	370.453	1.314	20	30		FDEDRO
CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N(CCC#N)CC2CC2)CC1	ZINC000132694175	525987105	/nfs/dbraw/zinc/98/71/05/525987105.db2.gz	OMRHZYCFCYMUQB-UHFFFAOYSA-N	1	0	372.473	1.631	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2ccc(C#N)cc2)CC1	ZINC000171420892	525987929	/nfs/dbraw/zinc/98/79/29/525987929.db2.gz	VGVOMIDFXSMOJD-UHFFFAOYSA-N	1	0	357.458	1.254	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC2CCN(S(=O)(=O)CC)CC2)CC1	ZINC000171553413	526032053	/nfs/dbraw/zinc/03/20/53/526032053.db2.gz	VVJMVTKXPZQLGJ-UHFFFAOYSA-N	1	0	372.535	1.140	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)CC1	ZINC000171566104	526038717	/nfs/dbraw/zinc/03/87/17/526038717.db2.gz	XXTQZTILZMUVOC-KRWDZBQOSA-N	1	0	357.454	1.763	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCCNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)C[C@H](C)O1	ZINC000133298300	526042885	/nfs/dbraw/zinc/04/28/85/526042885.db2.gz	RAZGMOIIBAGUHL-IYBDPMFKSA-N	1	0	372.469	1.830	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1	ZINC000120379600	526045662	/nfs/dbraw/zinc/04/56/62/526045662.db2.gz	CMULQHYXPDOFOL-YOEHRIQHSA-N	1	0	373.428	1.719	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1	ZINC000133345605	526049358	/nfs/dbraw/zinc/04/93/58/526049358.db2.gz	XZPYCOJMJBOADZ-CQSZACIVSA-N	1	0	374.485	1.633	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](CN1CCOCC1)c1ccccc1	ZINC000182139964	526069365	/nfs/dbraw/zinc/06/93/65/526069365.db2.gz	XUWHBQWPFFYMEF-IEBWSBKVSA-N	1	0	358.486	1.658	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1F	ZINC000156162369	526071986	/nfs/dbraw/zinc/07/19/86/526071986.db2.gz	BAMSMIQXHXBANX-OCCSQVGLSA-N	1	0	369.462	1.489	20	30		FDEDRO
C=C[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1	ZINC000133712715	526084159	/nfs/dbraw/zinc/08/41/59/526084159.db2.gz	ILJLYCUDIGBJIH-WMLDXEAASA-N	1	0	372.469	1.482	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H](Cc2cccc(F)c2)n2nnnc2C)CC1	ZINC000171718211	526091456	/nfs/dbraw/zinc/09/14/56/526091456.db2.gz	QQWYOSHNZSAJOS-GOSISDBHSA-N	1	0	372.448	1.671	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCc3nccs3)=[NH+]C[C@@H]2C1	ZINC000133903922	526105173	/nfs/dbraw/zinc/10/51/73/526105173.db2.gz	NCZNJDGSPYFZNP-GFCCVEGCSA-N	1	0	351.476	1.566	20	30		FDEDRO
C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)[N@@H+]1CCC[C@@H](C)C1	ZINC000156491869	526148987	/nfs/dbraw/zinc/14/89/87/526148987.db2.gz	UPIUADXETJUZQS-OLZOCXBDSA-N	1	0	366.443	1.865	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(c3cc(CC)ncn3)C2)CC1	ZINC000171969541	526196194	/nfs/dbraw/zinc/19/61/94/526196194.db2.gz	RWTYBSQIHIIZGC-GOSISDBHSA-N	1	0	372.517	1.957	20	30		FDEDRO
CC[C@@H](CO)[NH+]1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000182814844	535867234	/nfs/dbraw/zinc/86/72/34/535867234.db2.gz	ZNWAJVHCLOIFPD-HKUYNNGSSA-N	1	0	356.470	1.442	20	30		FDEDRO
CC[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c1cccc(S(N)(=O)=O)c1	ZINC000183010532	535903570	/nfs/dbraw/zinc/90/35/70/535903570.db2.gz	ZBYAMKAQUVHACQ-NVXWUHKLSA-N	1	0	366.487	1.429	20	30		FDEDRO
COc1cccc([C@H]2[C@H](NC(=O)Cn3cnc(C#N)n3)CC[N@@H+]2C2CC2)c1	ZINC000183254632	535950824	/nfs/dbraw/zinc/95/08/24/535950824.db2.gz	IRGFXNCUWSYVBL-APWZRJJASA-N	1	0	366.425	1.253	20	30		FDEDRO
Cn1cc(CCNC(=[NH2+])NCCCN2CCOCC2)c2ccc(F)cc21	ZINC000184653659	536173614	/nfs/dbraw/zinc/17/36/14/536173614.db2.gz	PJOVWEMKSBOLMT-UHFFFAOYSA-N	1	0	361.465	1.487	20	30		FDEDRO
C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCOc1ccc(C#N)cc1	ZINC000185762807	536216864	/nfs/dbraw/zinc/21/68/64/536216864.db2.gz	RUPQVHLGJDVBCL-INIZCTEOSA-N	1	0	359.474	1.262	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCOc1ccc(C#N)cc1	ZINC000185762829	536217053	/nfs/dbraw/zinc/21/70/53/536217053.db2.gz	RUPQVHLGJDVBCL-MRXNPFEDSA-N	1	0	359.474	1.262	20	30		FDEDRO
C#C[C@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000186092405	536225163	/nfs/dbraw/zinc/22/51/63/536225163.db2.gz	OWWWKTZTILRVEU-ZWKOTPCHSA-N	1	0	355.486	1.647	20	30		FDEDRO
C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000186689592	536241164	/nfs/dbraw/zinc/24/11/64/536241164.db2.gz	WEPOOJVIWWXZDL-ZBFHGGJFSA-N	1	0	354.472	1.295	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](C(=O)OC)c2ccc3c(c2)CCO3)CC1	ZINC000187072851	536253965	/nfs/dbraw/zinc/25/39/65/536253965.db2.gz	UCQZZMIRJCTDKH-GOSISDBHSA-N	1	0	356.422	1.297	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)cc1C#N	ZINC000187729009	536272907	/nfs/dbraw/zinc/27/29/07/536272907.db2.gz	RWRANTZCECTINH-UHFFFAOYSA-N	1	0	358.442	1.837	20	30		FDEDRO
CS(=O)(=O)N1CC(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000187825058	536275719	/nfs/dbraw/zinc/27/57/19/536275719.db2.gz	ZEFKBZFDRSHIRJ-UHFFFAOYSA-N	1	0	362.499	1.004	20	30		FDEDRO
C=CC[C@@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)c1ccccc1	ZINC000188242804	536286979	/nfs/dbraw/zinc/28/69/79/536286979.db2.gz	JXPCPGOJQQDMHU-GOSISDBHSA-N	1	0	369.469	1.859	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2C[C@@H](C)O[C@@H](C(N)=O)C2)c1	ZINC000246408297	536946752	/nfs/dbraw/zinc/94/67/52/536946752.db2.gz	JCZUNEIDEIXWNY-SOLBZPMBSA-N	1	0	372.469	1.513	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1	ZINC000268171442	537011898	/nfs/dbraw/zinc/01/18/98/537011898.db2.gz	LSCFINSWIJSLEA-DYVFJYSZSA-N	1	0	370.453	1.140	20	30		FDEDRO
C=C(Cl)CNC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C	ZINC000268554317	537015289	/nfs/dbraw/zinc/01/52/89/537015289.db2.gz	NWVIJBYPZHGZJL-UHFFFAOYSA-N	1	0	373.906	1.707	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)n1	ZINC000189391790	537038810	/nfs/dbraw/zinc/03/88/10/537038810.db2.gz	ZMECHRZMPFIWON-MRXNPFEDSA-N	1	0	372.473	1.751	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000189405554	537040930	/nfs/dbraw/zinc/04/09/30/537040930.db2.gz	HDCUKUARKZVJRS-CYBMUJFWSA-N	1	0	364.877	1.927	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)c1	ZINC000189791756	537096530	/nfs/dbraw/zinc/09/65/30/537096530.db2.gz	FGLPBRIKDOBMNY-UHFFFAOYSA-N	1	0	356.426	1.614	20	30		FDEDRO
N#CCCSc1ccccc1NC(=O)C(=O)N1CC[NH+]2CCC1CC2	ZINC000189794710	537097351	/nfs/dbraw/zinc/09/73/51/537097351.db2.gz	LIWMUNYKRXFZOJ-UHFFFAOYSA-N	1	0	358.467	1.937	20	30		FDEDRO
C=C(C)COCCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000247302420	537105036	/nfs/dbraw/zinc/10/50/36/537105036.db2.gz	FGUCNKIOXLBNIS-OALUTQOASA-N	1	0	361.486	1.761	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cc1	ZINC000190141454	537146002	/nfs/dbraw/zinc/14/60/02/537146002.db2.gz	VXHNJOHHWMWHFO-HNNXBMFYSA-N	1	0	374.485	1.911	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1	ZINC000247739737	537147531	/nfs/dbraw/zinc/14/75/31/537147531.db2.gz	WOFLYKJTAWJOMC-LSDHHAIUSA-N	1	0	360.433	1.919	20	30		FDEDRO
C[C@@H]([NH2+][C@H](C)c1ccc(OCC(=O)NC2CC2)cc1)C(=O)N(C)CCC#N	ZINC000264873881	537148858	/nfs/dbraw/zinc/14/88/58/537148858.db2.gz	PHKARXGXMVYCAD-HUUCEWRRSA-N	1	0	372.469	1.755	20	30		FDEDRO
COc1ccc(OC(F)F)c(C[NH2+]CCNC(=O)C2N=CC=CC2=O)c1	ZINC000264949627	537150661	/nfs/dbraw/zinc/15/06/61/537150661.db2.gz	JZQWYZLZYHQEOP-NXVVXOECSA-N	1	0	367.352	1.913	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1	ZINC000265532774	537154348	/nfs/dbraw/zinc/15/43/48/537154348.db2.gz	JLRWMOCRRDRIKN-KRWDZBQOSA-N	1	0	372.469	1.832	20	30		FDEDRO
CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000190257684	537158989	/nfs/dbraw/zinc/15/89/89/537158989.db2.gz	YODSOAHNEICSLK-GOSISDBHSA-N	1	0	371.485	1.642	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1	ZINC000192070140	537219561	/nfs/dbraw/zinc/21/95/61/537219561.db2.gz	ZMIRBDCEAOUILR-ZFWWWQNUSA-N	1	0	355.797	1.911	20	30		FDEDRO
Cc1cc(COCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)on1	ZINC000193370173	537246294	/nfs/dbraw/zinc/24/62/94/537246294.db2.gz	NJCPPFSHWNRLPC-UHFFFAOYSA-N	1	0	356.426	1.962	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1	ZINC000285781758	537277298	/nfs/dbraw/zinc/27/72/98/537277298.db2.gz	YSLAPJYWBWRBNY-HOTGVXAUSA-N	1	0	357.520	1.179	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H](S(C)(=O)=O)C1	ZINC000282242588	537282694	/nfs/dbraw/zinc/28/26/94/537282694.db2.gz	QAYROHQJKKQJNT-DZGCQCFKSA-N	1	0	356.513	1.770	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+](C)C[C@H](C)C(=O)OC)c(OC)c1	ZINC000298733350	537291948	/nfs/dbraw/zinc/29/19/48/537291948.db2.gz	PLNLGRCJPOXOKT-GOEBONIOSA-N	1	0	351.443	1.904	20	30		FDEDRO
NC(=[NH+]OCCO[C@H]1CCCCO1)c1ccc(N2CCC(O)CC2)cc1	ZINC000282403490	537324859	/nfs/dbraw/zinc/32/48/59/537324859.db2.gz	KDFLVKZWRNENJY-SFHVURJKSA-N	1	0	363.458	1.828	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1	ZINC000282540708	537327254	/nfs/dbraw/zinc/32/72/54/537327254.db2.gz	DFWRVEFBRGQCIY-MRXNPFEDSA-N	1	0	368.503	1.203	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1	ZINC000282520846	537327383	/nfs/dbraw/zinc/32/73/83/537327383.db2.gz	ACUXEQXKYPMPBY-DOMZBBRYSA-N	1	0	358.895	1.869	20	30		FDEDRO
N#C[C@@H]1CC[C@H]([NH2+]C2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)C1	ZINC000333065295	537346453	/nfs/dbraw/zinc/34/64/53/537346453.db2.gz	JFTDYBAMNZDGNM-OLZOCXBDSA-N	1	0	363.439	1.113	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NC1CC[NH+](CCc2ccccc2)CC1	ZINC000283084786	537352024	/nfs/dbraw/zinc/35/20/24/537352024.db2.gz	VZCFMIPXWWBGMG-MRXNPFEDSA-N	1	0	364.515	1.762	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1	ZINC000283188192	537358575	/nfs/dbraw/zinc/35/85/75/537358575.db2.gz	LTYMNMCJLBCRHV-UHFFFAOYSA-N	1	0	367.427	1.379	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1	ZINC000276252379	537364323	/nfs/dbraw/zinc/36/43/23/537364323.db2.gz	ZFZQGCLQJWHWIO-CYBMUJFWSA-N	1	0	359.401	1.543	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+](C[C@H](C)O)[C@@H](C)CO)c(OC)c1	ZINC000276256965	537369621	/nfs/dbraw/zinc/36/96/21/537369621.db2.gz	XHFZFVMLXWODED-YQQAZPJKSA-N	1	0	353.459	1.227	20	30		FDEDRO
CN(C)c1cccnc1CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000290631032	537378329	/nfs/dbraw/zinc/37/83/29/537378329.db2.gz	LFXHQOPCWHTAGZ-CQSZACIVSA-N	1	0	374.489	1.528	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N([C@H](C)C[NH+]2CCN(c3ccccc3)CC2)C1=O	ZINC000348608951	537397962	/nfs/dbraw/zinc/39/79/62/537397962.db2.gz	DQUKPGHAQWMROI-AEFFLSMTSA-N	1	0	372.469	1.320	20	30		FDEDRO
C[C@@H]1CN(CCN(C)CC(=O)N(CCC#N)c2ccccc2)C[C@H](C)O1	ZINC000195326079	537399014	/nfs/dbraw/zinc/39/90/14/537399014.db2.gz	IQDYVIMISWIKEO-HDICACEKSA-N	1	0	358.486	1.974	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2c(C)[nH]c3ccccc32)CC1	ZINC000286009311	537403854	/nfs/dbraw/zinc/40/38/54/537403854.db2.gz	REFIEGUHIZKMGN-UHFFFAOYSA-N	1	0	368.481	1.902	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cc(C)n(CCC#N)n2)CC1=O	ZINC000271124443	537404308	/nfs/dbraw/zinc/40/43/08/537404308.db2.gz	KNOIGKZEPRIZSS-JKSUJKDBSA-N	1	0	372.473	1.377	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N(CCO)C1CCC1)C(C)C	ZINC000284238891	537405274	/nfs/dbraw/zinc/40/52/74/537405274.db2.gz	YOEFIHDXINKARS-KRWDZBQOSA-N	1	0	351.491	1.175	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@](C)(C(=O)OCC)c1ccccc1	ZINC000276330875	537428618	/nfs/dbraw/zinc/42/86/18/537428618.db2.gz	REWIXAOEEHDSFN-LIRRHRJNSA-N	1	0	361.442	1.497	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)nn1CCC#N	ZINC000293462998	537473011	/nfs/dbraw/zinc/47/30/11/537473011.db2.gz	QYMADXIQJSYIIL-CQSZACIVSA-N	1	0	372.473	1.377	20	30		FDEDRO
N#Cc1cccc(COc2cccc(C[NH2+]C[C@H]3CC(C(N)=O)=NO3)c2)c1	ZINC000276440125	537511010	/nfs/dbraw/zinc/51/10/10/537511010.db2.gz	IPBNBAVIUUTIAB-GOSISDBHSA-N	1	0	364.405	1.857	20	30		FDEDRO
C[NH+]1CCC(NC(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CC1	ZINC000284767952	537521363	/nfs/dbraw/zinc/52/13/63/537521363.db2.gz	JAUZHVCPEDQTSA-UHFFFAOYSA-N	1	0	370.453	1.138	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C	ZINC000288648655	537531512	/nfs/dbraw/zinc/53/15/12/537531512.db2.gz	QGONXGDUQMNTOH-HLLBOEOZSA-N	1	0	350.488	1.575	20	30		FDEDRO
CCN(CCC#N)C(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1	ZINC000289080354	537554365	/nfs/dbraw/zinc/55/43/65/537554365.db2.gz	DNCRGCSZNIALFN-UHFFFAOYSA-N	1	0	373.457	1.668	20	30		FDEDRO
CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC000289160440	537561405	/nfs/dbraw/zinc/56/14/05/537561405.db2.gz	SDEISLGLBAZAME-UHFFFAOYSA-N	1	0	358.442	1.862	20	30		FDEDRO
N#Cc1cc(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)cnc1C(F)(F)F	ZINC000293762286	537585589	/nfs/dbraw/zinc/58/55/89/537585589.db2.gz	RWQDGZYQUZNTBO-CQSZACIVSA-N	1	0	370.375	1.939	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCC1([NH+](C)C)CCC1	ZINC000275900803	537588847	/nfs/dbraw/zinc/58/88/47/537588847.db2.gz	TZMRXEJWQMQHNO-UHFFFAOYSA-N	1	0	374.441	1.122	20	30		FDEDRO
C=CCOc1ccc(/C=C/C(=O)NCCCN2CC[NH2+]CC2)cc1OC	ZINC000237169831	537616053	/nfs/dbraw/zinc/61/60/53/537616053.db2.gz	AISVUTOLZCLORD-SOFGYWHQSA-N	1	0	359.470	1.685	20	30		FDEDRO
C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H](C)C[NH2+]C)nc1C	ZINC000237269106	537619423	/nfs/dbraw/zinc/61/94/23/537619423.db2.gz	JOZHSYUDWNDKLE-MRVPVSSYSA-N	1	0	352.489	1.979	20	30		FDEDRO
Cc1nnc(COCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)s1	ZINC000285125511	537622347	/nfs/dbraw/zinc/62/23/47/537622347.db2.gz	MYABCBCXZBUSOU-UHFFFAOYSA-N	1	0	373.482	1.825	20	30		FDEDRO
C#CCNC(=O)CCN(C)[C@@H](C(=O)OC)c1cccc(Br)c1	ZINC000293917131	537624778	/nfs/dbraw/zinc/62/47/78/537624778.db2.gz	XNCPKKMGLYGLRS-OAHLLOKOSA-N	1	0	367.243	1.735	20	30		FDEDRO
N#CCCN(CCN1CCOCC1)C(=O)[C@H](O)c1ccc(Cl)cc1F	ZINC000291555467	537629567	/nfs/dbraw/zinc/62/95/67/537629567.db2.gz	QVIBSZWXEFODDD-MRXNPFEDSA-N	1	0	369.824	1.587	20	30		FDEDRO
C#CCN(C)CCCNC(=O)C[C@@H](C)S(=O)(=O)c1ccc(F)cc1	ZINC000293956931	537631300	/nfs/dbraw/zinc/63/13/00/537631300.db2.gz	KRPNTHDATKVABL-CQSZACIVSA-N	1	0	354.447	1.449	20	30		FDEDRO
CC(C)Oc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)cn1	ZINC000329167271	537634498	/nfs/dbraw/zinc/63/44/98/537634498.db2.gz	INHFPBKXLNEAFX-MRXNPFEDSA-N	1	0	360.458	1.869	20	30		FDEDRO
Cc1nn(C)c2ncc(C(=O)NC3CC[NH+]([C@@H]4CCN(C)C4=O)CC3)cc12	ZINC000329167583	537634813	/nfs/dbraw/zinc/63/48/13/537634813.db2.gz	ISTMEDZZHKPVDB-MRXNPFEDSA-N	1	0	370.457	1.276	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O	ZINC000329595550	537639114	/nfs/dbraw/zinc/63/91/14/537639114.db2.gz	IFOALWORKVOAFO-HZPDHXFCSA-N	1	0	364.877	1.895	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)N[C@H]2CS(=O)(=O)c3ccccc32)CC1	ZINC000329657508	537641234	/nfs/dbraw/zinc/64/12/34/537641234.db2.gz	MZCOTTZNZXUSRC-HNNXBMFYSA-N	1	0	351.472	1.893	20	30		FDEDRO
Cc1ccc(N2CCC[C@H](NC(=O)N[C@H](C)C3=CC[N@H+](C)CC3)C2)nn1	ZINC000329711325	537642145	/nfs/dbraw/zinc/64/21/45/537642145.db2.gz	OKSDODIQWZPRMI-WBVHZDCISA-N	1	0	358.490	1.908	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNC(=O)NC2CCN(C(=O)C3CC3)CC2)CC1	ZINC000329919138	537646115	/nfs/dbraw/zinc/64/61/15/537646115.db2.gz	GFFGVGZKSFEMQY-UHFFFAOYSA-N	1	0	366.506	1.126	20	30		FDEDRO
C[C@]1(C(N)=O)CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1	ZINC000329958201	537647869	/nfs/dbraw/zinc/64/78/69/537647869.db2.gz	MMACDDRQMSOLFI-VKJFTORMSA-N	1	0	352.479	1.916	20	30		FDEDRO
C[C@H]1C[NH+]=C(NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)N1	ZINC000285197511	537658265	/nfs/dbraw/zinc/65/82/65/537658265.db2.gz	VWUXHIVJBTYBGM-LBPRGKRZSA-N	1	0	354.451	1.306	20	30		FDEDRO
COc1ccc(Br)c(C(=O)NCCCNC2=[NH+]CCN2C)c1	ZINC000285202315	537659330	/nfs/dbraw/zinc/65/93/30/537659330.db2.gz	WBMMCOZRXSECSH-UHFFFAOYSA-N	1	0	369.263	1.469	20	30		FDEDRO
COc1ccc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)c(OC)c1OC	ZINC000330675369	537659956	/nfs/dbraw/zinc/65/99/56/537659956.db2.gz	SCRGSNACIWXAGS-UHFFFAOYSA-N	1	0	367.446	1.646	20	30		FDEDRO
CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1	ZINC000330749675	537660370	/nfs/dbraw/zinc/66/03/70/537660370.db2.gz	UMLCHAHBIAFVRA-LSDHHAIUSA-N	1	0	352.479	1.396	20	30		FDEDRO
Cc1nn(C)c2cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)ccc12	ZINC000291786239	537676251	/nfs/dbraw/zinc/67/62/51/537676251.db2.gz	PFNQIBFMCKSSNE-UHFFFAOYSA-N	1	0	370.457	1.514	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C	ZINC000285298186	537677278	/nfs/dbraw/zinc/67/72/78/537677278.db2.gz	VUEIZFSMBYCCFP-QRVBRYPASA-N	1	0	373.497	1.373	20	30		FDEDRO
CO[C@@H]1COCC[C@H]1CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000294408216	537692067	/nfs/dbraw/zinc/69/20/67/537692067.db2.gz	JPQCHNGOBPJCRC-RBUKOAKNSA-N	1	0	359.470	1.890	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)cc1	ZINC000294573270	537707433	/nfs/dbraw/zinc/70/74/33/537707433.db2.gz	KFYRCRYCNGYGPH-LJQANCHMSA-N	1	0	355.482	1.941	20	30		FDEDRO
COC(=O)C1CC[NH+](CCCNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC1	ZINC000298494144	537721501	/nfs/dbraw/zinc/72/15/01/537721501.db2.gz	LALNHKLXDIHZPP-OAHLLOKOSA-N	1	0	373.453	1.717	20	30		FDEDRO
CCNC(=O)OC[C@@H]1CCCCN1CC(=O)NCc1ccc(C#N)cc1	ZINC000285624919	537738422	/nfs/dbraw/zinc/73/84/22/537738422.db2.gz	NMXGBVMUFBIRHH-KRWDZBQOSA-N	1	0	358.442	1.775	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)NCCCn1cc(CO)nn1)C(C)C	ZINC000292518041	537742413	/nfs/dbraw/zinc/74/24/13/537742413.db2.gz	RXIJLNRMRLCXMD-KRWDZBQOSA-N	1	0	364.494	1.158	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN(CC(=O)NCc3cccc(C#N)c3)C2)CC1	ZINC000375902368	537795986	/nfs/dbraw/zinc/79/59/86/537795986.db2.gz	FILJUNQWYCGZRY-HXUWFJFHSA-N	1	0	369.513	1.275	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1	ZINC000407960715	537813066	/nfs/dbraw/zinc/81/30/66/537813066.db2.gz	ZHLCGYSKLJQSMP-AWEZNQCLSA-N	1	0	351.476	1.489	20	30		FDEDRO
C[NH+](C)[C@@]1(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CCCSC1	ZINC000371341931	537819364	/nfs/dbraw/zinc/81/93/64/537819364.db2.gz	SLLARJBPYCBELZ-SFHVURJKSA-N	1	0	359.499	1.429	20	30		FDEDRO
COc1ccc(C[NH+]2CCC(CNS(=O)(=O)[C@H](C)C#N)CC2)cc1	ZINC000416385201	537822853	/nfs/dbraw/zinc/82/28/53/537822853.db2.gz	OZEGVLMEEMNLGE-CQSZACIVSA-N	1	0	351.472	1.739	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1	ZINC000371766587	537830212	/nfs/dbraw/zinc/83/02/12/537830212.db2.gz	OXRXIYMVDULBFO-UHFFFAOYSA-N	1	0	360.454	1.551	20	30		FDEDRO
C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCCSCc1ccccc1C#N	ZINC000418909958	537836732	/nfs/dbraw/zinc/83/67/32/537836732.db2.gz	APLSFUJYLSZTFL-UONOGXRCSA-N	1	0	360.483	1.103	20	30		FDEDRO
C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCCSCc1ccccc1C#N	ZINC000418909959	537837388	/nfs/dbraw/zinc/83/73/88/537837388.db2.gz	APLSFUJYLSZTFL-ZIAGYGMSSA-N	1	0	360.483	1.103	20	30		FDEDRO
C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCCSCc1ccccc1C#N	ZINC000418911114	537839448	/nfs/dbraw/zinc/83/94/48/537839448.db2.gz	BRCXZMLOGMGOAO-CZUORRHYSA-N	1	0	360.483	1.022	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1	ZINC000418919019	537848653	/nfs/dbraw/zinc/84/86/53/537848653.db2.gz	JRGHRFUMIFWYOP-BBRMVZONSA-N	1	0	360.483	1.151	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[NH2+][C@H](CO)[C@@H]2CCCOC2)cc1Cl	ZINC000411992813	537927656	/nfs/dbraw/zinc/92/76/56/537927656.db2.gz	KMFGSDGSJUYWNO-CZUORRHYSA-N	1	0	351.834	1.917	20	30		FDEDRO
[NH3+]C1CCN(C(=O)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1	ZINC000419111874	537944399	/nfs/dbraw/zinc/94/43/99/537944399.db2.gz	JRGJTARAKGNXOU-UHFFFAOYSA-N	1	0	353.344	1.123	20	30		FDEDRO
C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C(=O)NCC[NH+]1CCCCC1	ZINC000412323140	537969196	/nfs/dbraw/zinc/96/91/96/537969196.db2.gz	RLLYHCCGPLLMNL-AYOQOUSVSA-N	1	0	368.481	1.769	20	30		FDEDRO
C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@]2(F)CC[NH2+]C2)nc1C	ZINC000368457856	537981637	/nfs/dbraw/zinc/98/16/37/537981637.db2.gz	GDSDUMYYIQRDNM-CQSZACIVSA-N	1	0	368.463	1.825	20	30		FDEDRO
N#Cc1ccc(CN2CCN(Cc3cc4c(cc3O)OCO4)CC2=O)cc1	ZINC000368531987	537982863	/nfs/dbraw/zinc/98/28/63/537982863.db2.gz	CLLAFNMHYNXLIP-UHFFFAOYSA-N	1	0	365.389	1.837	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000410846043	537998362	/nfs/dbraw/zinc/99/83/62/537998362.db2.gz	YHMRDNKRDHSHQY-IRXDYDNUSA-N	1	0	365.518	1.759	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NCC1([NH+]2CCSCC2)CCCC1	ZINC000369192796	538002836	/nfs/dbraw/zinc/00/28/36/538002836.db2.gz	IBNKOABEIDYMDA-CQSZACIVSA-N	1	0	360.549	1.274	20	30		FDEDRO
C[C@H](NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccc(C#N)cc1	ZINC000417107563	538003022	/nfs/dbraw/zinc/00/30/22/538003022.db2.gz	HKUCLQIHVQTDTC-YOEHRIQHSA-N	1	0	357.458	1.648	20	30		FDEDRO
C[C@@H](NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C#N)cc1	ZINC000417106432	538003280	/nfs/dbraw/zinc/00/32/80/538003280.db2.gz	GFYPODCCQWEYFH-DOMZBBRYSA-N	1	0	369.391	1.755	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CCC[N@@H+]1CCc1ccccc1	ZINC000369212114	538004113	/nfs/dbraw/zinc/00/41/13/538004113.db2.gz	ALQDJYICJAKRML-WMZOPIPTSA-N	1	0	364.515	1.762	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H]3C(=O)NC[C@H]3C2)c1C	ZINC000377732456	538008690	/nfs/dbraw/zinc/00/86/90/538008690.db2.gz	LPAYFACAUWQOSI-DLBZAZTESA-N	1	0	354.454	1.618	20	30		FDEDRO
C[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C[C@H]1C[NH3+]	ZINC000415444424	538049305	/nfs/dbraw/zinc/04/93/05/538049305.db2.gz	GFKOXYSZJIBHDI-GXTWGEPZSA-N	1	0	356.405	2.332	20	30		FDEDRO
CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@H]2CCc3[nH]cnc3C2)cc1	ZINC000377956836	538049966	/nfs/dbraw/zinc/04/99/66/538049966.db2.gz	RHKZAYMJFMGMPZ-AWEZNQCLSA-N	1	0	351.410	1.823	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@]12C(=O)Nc1ccccc12	ZINC000377982968	538054739	/nfs/dbraw/zinc/05/47/39/538054739.db2.gz	APUCNFSRFAZCFH-VLIAUNLRSA-N	1	0	350.422	1.487	20	30		FDEDRO
N#Cc1ccccc1OC1CCC(NC(=O)N2CCO[C@@H](C[NH3+])C2)CC1	ZINC000417605077	538057231	/nfs/dbraw/zinc/05/72/31/538057231.db2.gz	XBVKVLXFZZUZHF-JCYILVPMSA-N	1	0	358.442	1.617	20	30		FDEDRO
N#Cc1ccccc1-c1ccc(CNC(=O)C(=O)N2CCC[NH2+]CC2)cc1	ZINC000419636082	538088031	/nfs/dbraw/zinc/08/80/31/538088031.db2.gz	JHWGLZPUSWXXEE-UHFFFAOYSA-N	1	0	362.433	1.663	20	30		FDEDRO
C[NH+](C)Cc1ccc(N2CCN(c3ncc(C#N)cc3[N+](=O)[O-])CC2)nc1	ZINC000450321514	538119032	/nfs/dbraw/zinc/11/90/32/538119032.db2.gz	SLJMCSKIRFYEHO-UHFFFAOYSA-N	1	0	367.413	1.645	20	30		FDEDRO
CCCN(C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1)[C@H]1CC[NH2+]C1	ZINC000423638888	538128024	/nfs/dbraw/zinc/12/80/24/538128024.db2.gz	FDNRJMGTFOLOIA-SQNIBIBYSA-N	1	0	354.454	1.353	20	30		FDEDRO
CCCN(C(=O)C(=O)N(C)CCOCc1ccc(C#N)cc1)[C@@H]1CC[NH2+]C1	ZINC000423649420	538132142	/nfs/dbraw/zinc/13/21/42/538132142.db2.gz	PHDNGFSAPFZWTL-GOSISDBHSA-N	1	0	372.469	1.134	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1	ZINC000419918042	538146839	/nfs/dbraw/zinc/14/68/39/538146839.db2.gz	TUWICTMJZQZNFB-JQHSSLGASA-N	1	0	354.454	1.401	20	30		FDEDRO
CCC([NH3+])(CC)CNC(=O)C(=O)N1CCCN(c2ccccc2C#N)CC1	ZINC000420077388	538204928	/nfs/dbraw/zinc/20/49/28/538204928.db2.gz	CETODVHWWOYIDS-UHFFFAOYSA-N	1	0	371.485	1.231	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@](C)(OC)C2CC2)CC1	ZINC000422291168	538215397	/nfs/dbraw/zinc/21/53/97/538215397.db2.gz	CVGGGOCCZDGFEA-KUHUBIRLSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC2CCC(COC)CC2)CC1	ZINC000422292197	538216308	/nfs/dbraw/zinc/21/63/08/538216308.db2.gz	GGGMOMCZUXHUIW-UHFFFAOYSA-N	1	0	351.491	1.465	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000420108139	538220398	/nfs/dbraw/zinc/22/03/98/538220398.db2.gz	BUHVBQWZIOUKMO-RDTXWAMCSA-N	1	0	370.453	1.042	20	30		FDEDRO
N#CCCn1cc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)c(-c2ccncc2)n1	ZINC000433327059	538224510	/nfs/dbraw/zinc/22/45/10/538224510.db2.gz	QRFJKPYAXKJEDV-KRWDZBQOSA-N	1	0	373.482	1.916	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1	ZINC000424114798	538236632	/nfs/dbraw/zinc/23/66/32/538236632.db2.gz	STYJUQUXDNMEME-INIZCTEOSA-N	1	0	370.413	1.939	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1	ZINC000424113283	538237431	/nfs/dbraw/zinc/23/74/31/538237431.db2.gz	MVMIWIBSUMDHLN-AWEZNQCLSA-N	1	0	350.369	1.270	20	30		FDEDRO
COc1cc(CNc2cnn(CC(=O)NCC[NH+](C)C)c2)ccc1C#N	ZINC000440652877	538262256	/nfs/dbraw/zinc/26/22/56/538262256.db2.gz	ZVGVEABROIWCOJ-UHFFFAOYSA-N	1	0	356.430	1.053	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC1CCC(C#N)CC1	ZINC000440986271	538297074	/nfs/dbraw/zinc/29/70/74/538297074.db2.gz	ISUUVDLCDFOTPO-JCYILVPMSA-N	1	0	363.506	1.558	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc(C#N)cc1	ZINC000424535320	538325406	/nfs/dbraw/zinc/32/54/06/538325406.db2.gz	ABZSYYKPLHXWSJ-GJZGRUSLSA-N	1	0	354.454	1.726	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1	ZINC000451926939	538338176	/nfs/dbraw/zinc/33/81/76/538338176.db2.gz	MTHZAKZNMJLYBK-DLBZAZTESA-N	1	0	364.515	1.919	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)NC3CCC([NH+](C)C)CC3)CC2)c1C#N	ZINC000420894501	538365187	/nfs/dbraw/zinc/36/51/87/538365187.db2.gz	RQTPNDDXTIEMGY-UHFFFAOYSA-N	1	0	373.505	1.305	20	30		FDEDRO
N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1	ZINC000442714626	538370850	/nfs/dbraw/zinc/37/08/50/538370850.db2.gz	YNRIWKTWOAPOFH-QWHCGFSZSA-N	1	0	355.485	1.551	20	30		FDEDRO
CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H]2CC[C@@H](C#N)C2)c1	ZINC000442863271	538381440	/nfs/dbraw/zinc/38/14/40/538381440.db2.gz	XCGFTGQUCNBQQY-SCRDCRAPSA-N	1	0	350.444	1.204	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C	ZINC000435308327	538393110	/nfs/dbraw/zinc/39/31/10/538393110.db2.gz	FLRQBCDBFWKTQX-MRXNPFEDSA-N	1	0	361.442	1.671	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1	ZINC000438456101	538424655	/nfs/dbraw/zinc/42/46/55/538424655.db2.gz	PKBKSPQZTQCXPG-IAGOWNOFSA-N	1	0	352.523	1.683	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1	ZINC000453950363	538478072	/nfs/dbraw/zinc/47/80/72/538478072.db2.gz	OVPROWYWJWAZAO-SJORKVTESA-N	1	0	361.442	1.415	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccccc1CN1CC[NH+](CC)CC1	ZINC000454313008	538537522	/nfs/dbraw/zinc/53/75/22/538537522.db2.gz	GDBCMUJPZIGVBT-UXHICEINSA-N	1	0	372.513	1.967	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](NC(=O)N(C)C)C2)CC1	ZINC000454460410	538557755	/nfs/dbraw/zinc/55/77/55/538557755.db2.gz	IQPRFMCGBLHUAJ-INIZCTEOSA-N	1	0	351.495	1.472	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CCN(C(=O)NCC)C1)C(C)C	ZINC000472474160	538644079	/nfs/dbraw/zinc/64/40/79/538644079.db2.gz	ZLMBGEQJBRDNFU-IRXDYDNUSA-N	1	0	365.522	1.788	20	30		FDEDRO
CC[C@@]1(O)CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000495233511	538648961	/nfs/dbraw/zinc/64/89/61/538648961.db2.gz	PKKBEWQIJGEKRB-AZUAARDMSA-N	1	0	374.460	1.381	20	30		FDEDRO
CC1(C)[C@H](O)CC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000463222631	538675648	/nfs/dbraw/zinc/67/56/48/538675648.db2.gz	JMDGBBUYKJMZQG-GOEBONIOSA-N	1	0	362.499	1.302	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1	ZINC000483216240	538688088	/nfs/dbraw/zinc/68/80/88/538688088.db2.gz	KAMAUHKRUZAZFG-INIZCTEOSA-N	1	0	371.485	1.943	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000459804728	538705230	/nfs/dbraw/zinc/70/52/30/538705230.db2.gz	CRNKNFNYYVSQDG-OAQYLSRUSA-N	1	0	371.481	1.282	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)cc1	ZINC000483519094	538708879	/nfs/dbraw/zinc/70/88/79/538708879.db2.gz	HXDZPGRWTDIBSN-WOSRLPQWSA-N	1	0	364.471	1.977	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1	ZINC000488178499	538721129	/nfs/dbraw/zinc/72/11/29/538721129.db2.gz	NUCKDKJEJVYEQV-LPHOPBHVSA-N	1	0	373.497	1.730	20	30		FDEDRO
CC(=O)N1CC[C@@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1	ZINC000479353215	538803873	/nfs/dbraw/zinc/80/38/73/538803873.db2.gz	ZAKZWLIDDPUGPX-GOSISDBHSA-N	1	0	354.454	1.529	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000489699734	538836547	/nfs/dbraw/zinc/83/65/47/538836547.db2.gz	HLXBVCAOZOTYTJ-XOKHGSTOSA-N	1	0	367.446	1.570	20	30		FDEDRO
C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2ccc(C#N)o2)c1	ZINC000500111022	538874635	/nfs/dbraw/zinc/87/46/35/538874635.db2.gz	HEEHGBADTWMJAB-UHFFFAOYSA-N	1	0	362.411	1.243	20	30		FDEDRO
C[C@H](CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)N1CC[NH+](C)CC1	ZINC000506475161	538874683	/nfs/dbraw/zinc/87/46/83/538874683.db2.gz	STHXIHHGNLFFTL-KDOFPFPSSA-N	1	0	352.479	1.000	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1)[N@H+](C)C1CC1	ZINC000561175287	545725308	/nfs/dbraw/zinc/72/53/08/545725308.db2.gz	FBQOTPIFGSYGLQ-HNNXBMFYSA-N	1	0	369.469	1.064	20	30		FDEDRO
CCN(C(=O)C(=O)NCCCCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000561350634	545813730	/nfs/dbraw/zinc/81/37/30/545813730.db2.gz	AGILYHMHLGWFMG-SFHVURJKSA-N	1	0	356.470	1.919	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2csc(CC)n2)CC1	ZINC000561413535	545838145	/nfs/dbraw/zinc/83/81/45/545838145.db2.gz	NNIUVOKSHDZVIK-UHFFFAOYSA-N	1	0	350.488	1.431	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCC2(CCOC)CCCCC2)CC1	ZINC000561414510	545838518	/nfs/dbraw/zinc/83/85/18/545838518.db2.gz	FOYXUARDVSBRRD-UHFFFAOYSA-N	1	0	365.518	1.856	20	30		FDEDRO
COCC[C@@H](COC)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000561415752	545840064	/nfs/dbraw/zinc/84/00/64/545840064.db2.gz	JDRBLDWPVKWDIF-IBGZPJMESA-N	1	0	374.485	1.827	20	30		FDEDRO
Cc1ccccc1[C@H]([C@@H](C)Nc1c(C#N)c(=O)n(C)c(=O)n1C)[NH+](C)C	ZINC000561436077	545851971	/nfs/dbraw/zinc/85/19/71/545851971.db2.gz	KQZYQTHPJGQUHI-CJNGLKHVSA-N	1	0	355.442	1.367	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCC[C@@H]2CCCCO2)CC1	ZINC000561453631	545857921	/nfs/dbraw/zinc/85/79/21/545857921.db2.gz	YLKHCQVQOYBXHD-KRWDZBQOSA-N	1	0	351.491	1.609	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]CCc2nnc3n2CCCCC3)cc1	ZINC000561614149	545910224	/nfs/dbraw/zinc/91/02/24/545910224.db2.gz	FJAYZHPOKYZXER-MRXNPFEDSA-N	1	0	355.442	1.448	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC1	ZINC000562079477	546027755	/nfs/dbraw/zinc/02/77/55/546027755.db2.gz	KZDXLOXNSIMWNW-FQEVSTJZSA-N	1	0	367.534	1.787	20	30		FDEDRO
CCN1CC[NH+](CCCCNC(=O)NCc2ccc(CC#N)cc2)CC1	ZINC000563039141	546366980	/nfs/dbraw/zinc/36/69/80/546366980.db2.gz	SLILXJRXEDQKTG-UHFFFAOYSA-N	1	0	357.502	1.970	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1	ZINC000563415186	546525797	/nfs/dbraw/zinc/52/57/97/546525797.db2.gz	ITYAMDIGDAXTLY-CJNGLKHVSA-N	1	0	364.471	1.319	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)NCC[C@@H]3CC[NH2+]C3)C2)c(F)c1	ZINC000563568396	546592535	/nfs/dbraw/zinc/59/25/35/546592535.db2.gz	LBBOFBWAHFUWSS-GOEBONIOSA-N	1	0	359.449	1.965	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC1CCC(N2CC[NH2+]CC2)CC1	ZINC000565151410	547221866	/nfs/dbraw/zinc/22/18/66/547221866.db2.gz	QVUJSMQLWAZVBT-FAEJEUNOSA-N	1	0	356.470	1.658	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]CCc2cnc(C3CC3)nc2)cc1	ZINC000565358939	547319319	/nfs/dbraw/zinc/31/93/19/547319319.db2.gz	LICOWPNBFISCSU-GOSISDBHSA-N	1	0	352.438	1.992	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C1(S(C)(=O)=O)CC[NH2+]CC1	ZINC000565660962	547436277	/nfs/dbraw/zinc/43/62/77/547436277.db2.gz	NZLURBQARDVABW-UHFFFAOYSA-N	1	0	366.483	1.377	20	30		FDEDRO
N#Cc1cc(NC(=O)NCC(=O)N2CC[NH2+]CC2)ccc1OC(F)(F)F	ZINC000565705117	547448642	/nfs/dbraw/zinc/44/86/42/547448642.db2.gz	NEUOLKXCVOCNMK-UHFFFAOYSA-N	1	0	371.319	1.010	20	30		FDEDRO
CC1CC[NH+](C[C@H](O)CNS(=O)(=O)Cc2ccc(C#N)cc2)CC1	ZINC000565735886	547461355	/nfs/dbraw/zinc/46/13/55/547461355.db2.gz	BTJJZWMXBKKTJO-QGZVFWFLSA-N	1	0	351.472	1.070	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@@H]3CCCC[C@H]3[NH3+])C2=O)cc1	ZINC000566104502	547604517	/nfs/dbraw/zinc/60/45/17/547604517.db2.gz	MUVCVOWDZYZPGD-BRWVUGGUSA-N	1	0	355.442	1.228	20	30		FDEDRO
CCOC(=O)CC[C@H](O)C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000566131957	547618985	/nfs/dbraw/zinc/61/89/85/547618985.db2.gz	HUUJMUKKQLFFNS-IRXDYDNUSA-N	1	0	359.426	1.347	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1	ZINC000566338078	547720061	/nfs/dbraw/zinc/72/00/61/547720061.db2.gz	MCPFFZQHPLVXGN-DZGCQCFKSA-N	1	0	372.922	1.911	20	30		FDEDRO
COC(=O)c1ccc(N2CCN(c3cc(OC)cc[nH+]3)CC2)c(C#N)n1	ZINC000566479057	547774947	/nfs/dbraw/zinc/77/49/47/547774947.db2.gz	UKLXWKPOBAWDJF-UHFFFAOYSA-N	1	0	353.382	1.470	20	30		FDEDRO
N#Cc1ncn(CC[NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)n1	ZINC000566615994	547827668	/nfs/dbraw/zinc/82/76/68/547827668.db2.gz	IDLCRSPBNWGGJY-LBPRGKRZSA-N	1	0	355.320	1.198	20	30		FDEDRO
CO[C@@H]1CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000567083650	547989338	/nfs/dbraw/zinc/98/93/38/547989338.db2.gz	XSILSCHWZUAUCS-ZWKOTPCHSA-N	1	0	372.469	1.132	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1	ZINC000567286103	548064662	/nfs/dbraw/zinc/06/46/62/548064662.db2.gz	AILORSDSJQZOGW-INIZCTEOSA-N	1	0	350.507	1.542	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)NCc1ccc(CC#N)cc1)[NH+]1CCC(C)CC1	ZINC000567384067	548100628	/nfs/dbraw/zinc/10/06/28/548100628.db2.gz	QSTUWHNAQIKWOF-INIZCTEOSA-N	1	0	356.470	1.605	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCC2(CCOCC)CCCC2)CC1	ZINC000567575615	548166094	/nfs/dbraw/zinc/16/60/94/548166094.db2.gz	SCSNKMNCKXZEBU-UHFFFAOYSA-N	1	0	365.518	1.856	20	30		FDEDRO
C[C@H]1OCC[C@@]1(O)C[N@H+](CCC(=O)N(C)CCC#N)Cc1ccccc1	ZINC000567609035	548179723	/nfs/dbraw/zinc/17/97/23/548179723.db2.gz	AKWXOUCSIWGQOC-YLJYHZDGSA-N	1	0	359.470	1.791	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1	ZINC000567650938	548194583	/nfs/dbraw/zinc/19/45/83/548194583.db2.gz	FBDZJTWBWQMKQW-CGTJXYLNSA-N	1	0	354.454	1.482	20	30		FDEDRO
C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)N(C)c1ccccc1	ZINC000567677126	548207544	/nfs/dbraw/zinc/20/75/44/548207544.db2.gz	GHHPGSIZZSFOJZ-HNNXBMFYSA-N	1	0	358.467	1.841	20	30		FDEDRO
CS(=O)(=O)C1CCC([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000567689351	548213987	/nfs/dbraw/zinc/21/39/87/548213987.db2.gz	IMJLQUAHQPYTQJ-ISXOHVOVSA-N	1	0	352.456	1.243	20	30		FDEDRO
C=CCN=c1[nH]cc(C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)s1	ZINC000567841945	548287048	/nfs/dbraw/zinc/28/70/48/548287048.db2.gz	WGLXHEYOTVYJLU-KGLIPLIRSA-N	1	0	350.488	2.100	20	30		FDEDRO
N#CC1CCN(C(=O)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CC1	ZINC000568115941	548404179	/nfs/dbraw/zinc/40/41/79/548404179.db2.gz	ULBBJGFMPPZHCM-GOSISDBHSA-N	1	0	354.454	1.702	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1	ZINC000568414109	548529788	/nfs/dbraw/zinc/52/97/88/548529788.db2.gz	AWEBBPQLWMCGNT-MAUKXSAKSA-N	1	0	366.506	1.257	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)ncc1C#N	ZINC000568650243	548625809	/nfs/dbraw/zinc/62/58/09/548625809.db2.gz	NSLVQOMGJWRZBE-YJYMSZOUSA-N	1	0	357.458	1.827	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]C[C@H]3CN(Cc4ccccc4)CCO3)cnc12	ZINC000568888668	548722041	/nfs/dbraw/zinc/72/20/41/548722041.db2.gz	ZWCNUZIXYOERAD-IBGZPJMESA-N	1	0	362.437	1.592	20	30		FDEDRO
C=CCn1c([C@@H](C)CC)nnc1N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1	ZINC000569191112	548827702	/nfs/dbraw/zinc/82/77/02/548827702.db2.gz	IFRQCZQMYVVDNE-JKSUJKDBSA-N	1	0	360.506	1.768	20	30		FDEDRO
Cn1ncc(C(=O)N2CCC[C@H](c3n[nH]cc3C[NH+]3CCCC3)C2)c1C#N	ZINC000569519131	548946898	/nfs/dbraw/zinc/94/68/98/548946898.db2.gz	YTRAJZUJGNDLCU-AWEZNQCLSA-N	1	0	367.457	1.630	20	30		FDEDRO
Cn1cc(N2CCC[C@H]([NH2+]C[C@H](O)COc3ccc(CC#N)cc3)C2)cn1	ZINC000569803986	549053292	/nfs/dbraw/zinc/05/32/92/549053292.db2.gz	HMMDVFAEWQJAHN-HKUYNNGSSA-N	1	0	369.469	1.484	20	30		FDEDRO
CN(CCC[NH3+])C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	ZINC000569868069	549076380	/nfs/dbraw/zinc/07/63/80/549076380.db2.gz	QZMWFDHAMOKSNS-UHFFFAOYSA-N	1	0	371.441	1.015	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)cc1	ZINC000569960528	549110925	/nfs/dbraw/zinc/11/09/25/549110925.db2.gz	KTBSZMPVBWJQBZ-KRWDZBQOSA-N	1	0	372.446	1.418	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCN(c3ncccc3F)C2)cc1	ZINC000570390402	549262277	/nfs/dbraw/zinc/26/22/77/549262277.db2.gz	CCTZXKNSJSILST-CVEARBPZSA-N	1	0	356.401	1.701	20	30		FDEDRO
CN(CCN1CCOC(C)(C)C1)S(=O)(=O)Cc1ccc(CC#N)cc1	ZINC000570679746	549371969	/nfs/dbraw/zinc/37/19/69/549371969.db2.gz	XJFFUPHPVHQTGN-UHFFFAOYSA-N	1	0	365.499	1.625	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000570679377	549372085	/nfs/dbraw/zinc/37/20/85/549372085.db2.gz	UGVYDBPGCCHALD-QZTJIDSGSA-N	1	0	371.485	1.021	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1	ZINC000571044234	549504493	/nfs/dbraw/zinc/50/44/93/549504493.db2.gz	OIHVFTZPHIEUAT-QGZVFWFLSA-N	1	0	363.893	1.599	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000571586564	549698910	/nfs/dbraw/zinc/69/89/10/549698910.db2.gz	QPZSLIBXGLDJMN-OALUTQOASA-N	1	0	355.482	1.987	20	30		FDEDRO
CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC(=O)NCc3ccc(C#N)cc3)[C@H]2C1	ZINC000571989427	549818171	/nfs/dbraw/zinc/81/81/71/549818171.db2.gz	WOIRVYFRUGGOJM-GBESFXJTSA-N	1	0	354.454	1.411	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC(C)(C)OC2(C)C)CC1	ZINC000572389695	549904090	/nfs/dbraw/zinc/90/40/90/549904090.db2.gz	CFFIIJWGGBWETE-OAHLLOKOSA-N	1	0	351.491	1.605	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1	ZINC000572573708	549944615	/nfs/dbraw/zinc/94/46/15/549944615.db2.gz	JIVCEMHAUOVLEP-SJORKVTESA-N	1	0	358.442	1.296	20	30		FDEDRO
C=CCc1cc(CNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])cc(OC)c1OC	ZINC000573001174	550043014	/nfs/dbraw/zinc/04/30/14/550043014.db2.gz	GSWIEUAVYHZUOV-CHWSQXEVSA-N	1	0	363.458	1.291	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2	ZINC000573013901	550045397	/nfs/dbraw/zinc/04/53/97/550045397.db2.gz	KNIOLAADGVILBP-CQSZACIVSA-N	1	0	352.394	1.795	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCC2CC(OCC)C2)CC1	ZINC000573193216	550083832	/nfs/dbraw/zinc/08/38/32/550083832.db2.gz	XANKBYJSLNMSNR-UHFFFAOYSA-N	1	0	351.491	1.465	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]CCS(=O)(=O)c2ccccc2)cc1	ZINC000573199060	550085316	/nfs/dbraw/zinc/08/53/16/550085316.db2.gz	IJDVEPVSUOSZJP-MRXNPFEDSA-N	1	0	360.435	1.361	20	30		FDEDRO
COC[C@H](C)OC[C@@H](O)C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000573239082	550095007	/nfs/dbraw/zinc/09/50/07/550095007.db2.gz	SAPCTEALNHEYST-WBAXXEDZSA-N	1	0	361.442	1.056	20	30		FDEDRO
CN1CCCC(C)(C)[C@H]1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000573957470	550237797	/nfs/dbraw/zinc/23/77/97/550237797.db2.gz	XLVYDLHHPUIWJH-OAHLLOKOSA-N	1	0	350.488	1.437	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H](CO)c2ccc(F)cc2)cc1	ZINC000574453628	550316538	/nfs/dbraw/zinc/31/65/38/550316538.db2.gz	VHFBGLJVYNKCHZ-INIZCTEOSA-N	1	0	362.426	1.837	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]Cc2ccccc2N2CCOCC2)cc1	ZINC000574565064	550334481	/nfs/dbraw/zinc/33/44/81/550334481.db2.gz	GDXUUUZDRBTEDO-IBGZPJMESA-N	1	0	367.449	1.924	20	30		FDEDRO
C=CCN(C(=O)Cc1cncn1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1	ZINC000574611202	550341439	/nfs/dbraw/zinc/34/14/39/550341439.db2.gz	PGYOULCGLRWBSI-KRWDZBQOSA-N	1	0	373.478	1.676	20	30		FDEDRO
COc1cc(CNC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)ccc1C#N	ZINC000575052041	550416253	/nfs/dbraw/zinc/41/62/53/550416253.db2.gz	OUILPWPWABIUJC-GOSISDBHSA-N	1	0	373.501	1.638	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000575355966	550457400	/nfs/dbraw/zinc/45/74/00/550457400.db2.gz	PXZCVYWISCJAMM-USXIJHARSA-N	1	0	351.491	1.341	20	30		FDEDRO
N#Cc1ccc(N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)nc1N	ZINC000575935416	550492842	/nfs/dbraw/zinc/49/28/42/550492842.db2.gz	SOPBPFQEQZAPFO-LJQANCHMSA-N	1	0	362.481	1.932	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCCS(=O)(=O)C2)c(OC)c1	ZINC000576029907	550503265	/nfs/dbraw/zinc/50/32/65/550503265.db2.gz	FSDNDLUWLWJBMC-HOTGVXAUSA-N	1	0	369.483	1.330	20	30		FDEDRO
C=CC[C@@H]1N(C(=O)C(=O)N2CCC([NH2+]CCOC)CC2)CCCC1(C)C	ZINC000576115321	550512384	/nfs/dbraw/zinc/51/23/84/550512384.db2.gz	VARPYYOQESPTCS-KRWDZBQOSA-N	1	0	365.518	1.807	20	30		FDEDRO
CC(C)[NH+](CCNC(=O)C1CCN(C(=O)CSCC#N)CC1)C(C)C	ZINC000576537721	550560306	/nfs/dbraw/zinc/56/03/06/550560306.db2.gz	AAMVSQHMHPTMHG-UHFFFAOYSA-N	1	0	368.547	1.717	20	30		FDEDRO
N#Cc1cccc(C2(NC(=O)C(=O)Nc3cccc4c3CC[NH2+]C4)CC2)c1	ZINC000576805310	550587489	/nfs/dbraw/zinc/58/74/89/550587489.db2.gz	NETLOBSCVKIZDZ-UHFFFAOYSA-N	1	0	360.417	1.948	20	30		FDEDRO
N#Cc1ccccc1N1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1	ZINC000577486908	550661385	/nfs/dbraw/zinc/66/13/85/550661385.db2.gz	USDIFPBCIUKPFL-ZWKOTPCHSA-N	1	0	353.470	1.778	20	30		FDEDRO
COc1ccc(F)c(N2CC[NH+](C[C@H]3CNc4c(C#N)cnn4C3)CC2)c1	ZINC000577610299	550675492	/nfs/dbraw/zinc/67/54/92/550675492.db2.gz	BMZPXQDEUVAYSE-CQSZACIVSA-N	1	0	370.432	1.766	20	30		FDEDRO
CO[C@H](CC[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C(F)(F)F	ZINC000578619604	550782924	/nfs/dbraw/zinc/78/29/24/550782924.db2.gz	YBMQKTVZAYTYFO-CYBMUJFWSA-N	1	0	350.362	1.889	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1	ZINC000578841654	550806753	/nfs/dbraw/zinc/80/67/53/550806753.db2.gz	WZJXMRIHLCXBSS-XSLAGTTESA-N	1	0	364.465	1.820	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CCCC12CC[NH+](C)CC2	ZINC000578901284	550813955	/nfs/dbraw/zinc/81/39/55/550813955.db2.gz	RAOFAVGQQITWLP-UHFFFAOYSA-N	1	0	371.481	1.954	20	30		FDEDRO
N#CCc1cccc(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1	ZINC000579252405	550852853	/nfs/dbraw/zinc/85/28/53/550852853.db2.gz	HLYFSOOROPTPLL-SJLPKXTDSA-N	1	0	354.454	1.473	20	30		FDEDRO
CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2cc(C#N)n(C)c2)CC1	ZINC000579646998	550895377	/nfs/dbraw/zinc/89/53/77/550895377.db2.gz	BDKAZNADQPKJBD-CQSZACIVSA-N	1	0	352.504	1.779	20	30		FDEDRO
C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000579688587	550899515	/nfs/dbraw/zinc/89/95/15/550899515.db2.gz	SBYKXVFBNWIDAC-SMDDNHRTSA-N	1	0	372.404	2.118	20	30		FDEDRO
N#CC1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1	ZINC000579815190	550912676	/nfs/dbraw/zinc/91/26/76/550912676.db2.gz	JKVPHYRIDCPRHA-SFHVURJKSA-N	1	0	354.454	1.529	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1C[C@H](C)OC(C)(C)C1)C(C)C	ZINC000580338183	550969366	/nfs/dbraw/zinc/96/93/66/550969366.db2.gz	MWDMSIMWKKUVRG-IRXDYDNUSA-N	1	0	365.518	1.827	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]CCn2c(=O)oc3ccccc32)cc1	ZINC000580552957	550994298	/nfs/dbraw/zinc/99/42/98/550994298.db2.gz	JBASQGVKPKFCHS-INIZCTEOSA-N	1	0	367.405	1.690	20	30		FDEDRO
Cc1oc(NC(=O)CN2CCC([N@H+]3CCOC[C@H]3C)CC2)c(C#N)c1C	ZINC000581556712	551104435	/nfs/dbraw/zinc/10/44/35/551104435.db2.gz	OXGRZENEWXHDRY-CYBMUJFWSA-N	1	0	360.458	1.892	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)C3C[NH+](C4CCCCC4)C3)CC2)c1C#N	ZINC000582106803	551176257	/nfs/dbraw/zinc/17/62/57/551176257.db2.gz	QXATTYKZYCQCBB-UHFFFAOYSA-N	1	0	370.501	1.513	20	30		FDEDRO
C=CCC1(CNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCCC1	ZINC000582231465	551194013	/nfs/dbraw/zinc/19/40/13/551194013.db2.gz	XXMOKIBRLJMWAU-KRWDZBQOSA-N	1	0	362.518	1.976	20	30		FDEDRO
C[C@@](O)(C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)CN1CCOCC1	ZINC000583113546	551305483	/nfs/dbraw/zinc/30/54/83/551305483.db2.gz	IXJYDBCGFPANIP-MRXNPFEDSA-N	1	0	357.376	1.750	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@H]3CN(C(C)=O)C[C@@H]32)CC1	ZINC000583228815	551322112	/nfs/dbraw/zinc/32/21/12/551322112.db2.gz	KLLQWGLMIILBNU-YTQUADARSA-N	1	0	362.518	1.973	20	30		FDEDRO
CNC(=O)c1cccc(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)c1	ZINC000583559795	551369316	/nfs/dbraw/zinc/36/93/16/551369316.db2.gz	KLBDNRHPWCDMMI-UHFFFAOYSA-N	1	0	371.462	1.524	20	30		FDEDRO
N#Cc1cccc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)n1	ZINC000583692265	551388545	/nfs/dbraw/zinc/38/85/45/551388545.db2.gz	RNTPBLDYMSPJGY-AEFFLSMTSA-N	1	0	365.437	1.958	20	30		FDEDRO
COC(=O)c1ccc(NCCC[NH+]2CCC(C(=O)OC)CC2)c(C#N)n1	ZINC000583960341	551426942	/nfs/dbraw/zinc/42/69/42/551426942.db2.gz	VFVJRBINRZZYSB-UHFFFAOYSA-N	1	0	360.414	1.427	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000584121234	551450490	/nfs/dbraw/zinc/45/04/90/551450490.db2.gz	GAOIJJIYHAKEOH-UHFFFAOYSA-N	1	0	364.877	1.975	20	30		FDEDRO
CC[N@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)[C@H]1CCOC1	ZINC000584563631	551517921	/nfs/dbraw/zinc/51/79/21/551517921.db2.gz	GGUKLSKEAYVQCB-RBUKOAKNSA-N	1	0	374.460	1.645	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H](c2ccco2)N2CCCC2)nc1	ZINC000584864542	551562144	/nfs/dbraw/zinc/56/21/44/551562144.db2.gz	UROLGCWGDWWNCQ-MRXNPFEDSA-N	1	0	374.466	1.747	20	30		FDEDRO
CC(C)(CNC(=O)C(=O)NCc1ccc(C#N)cc1F)[NH+]1CCCCC1	ZINC000585686518	551581527	/nfs/dbraw/zinc/58/15/27/551581527.db2.gz	QGUXQFFXHSOYQK-UHFFFAOYSA-N	1	0	360.433	1.694	20	30		FDEDRO
C[NH+]1CCC(NS(=O)(=O)c2cc(Br)ccc2C#N)CC1	ZINC000585708334	551585003	/nfs/dbraw/zinc/58/50/03/551585003.db2.gz	VTLSGBYRTJHFFN-UHFFFAOYSA-N	1	0	358.261	1.693	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)c1ccc(C#N)cc1	ZINC000585714722	551586269	/nfs/dbraw/zinc/58/62/69/551586269.db2.gz	WWVPVDQMTJUARO-WMLDXEAASA-N	1	0	356.470	1.972	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H]([NH+]2CCOCC2)CC1	ZINC000585716902	551586533	/nfs/dbraw/zinc/58/65/33/551586533.db2.gz	CCYPPDKCQFMNSC-QZTJIDSGSA-N	1	0	362.518	1.904	20	30		FDEDRO
C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)NCc2ccc(C#N)cc2F)C1	ZINC000585721300	551587109	/nfs/dbraw/zinc/58/71/09/551587109.db2.gz	RAKRNRDWFYXZPR-HNNXBMFYSA-N	1	0	374.460	1.942	20	30		FDEDRO
CCC[NH+]1CCC(N(C)C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1	ZINC000586860125	551626717	/nfs/dbraw/zinc/62/67/17/551626717.db2.gz	TXCIYQVEWGKMPV-UHFFFAOYSA-N	1	0	360.433	1.646	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(C#N)cc2F)[C@H](C)C1	ZINC000586861852	551627172	/nfs/dbraw/zinc/62/71/72/551627172.db2.gz	ARCSMQLYESGMNZ-DYVFJYSZSA-N	1	0	360.433	1.502	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)c1cccc(C#N)c1	ZINC000587664644	551633540	/nfs/dbraw/zinc/63/35/40/551633540.db2.gz	JECQLXIJZPNPRP-CRAIPNDOSA-N	1	0	368.481	1.926	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1cccc(C#N)c1	ZINC000587703548	551634345	/nfs/dbraw/zinc/63/43/45/551634345.db2.gz	LABJDRIMJNHQAO-MAUKXSAKSA-N	1	0	354.454	1.822	20	30		FDEDRO
COC1CC[NH+](CCNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000587909844	551636484	/nfs/dbraw/zinc/63/64/84/551636484.db2.gz	JWHCRVCPEZDSSZ-INIZCTEOSA-N	1	0	374.460	1.751	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)n1	ZINC000588351829	551668301	/nfs/dbraw/zinc/66/83/01/551668301.db2.gz	YWGIGBDSVXAWAS-KRWDZBQOSA-N	1	0	367.457	1.676	20	30		FDEDRO
CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2ccnc(C#N)c2)CC1	ZINC000588973878	551702451	/nfs/dbraw/zinc/70/24/51/551702451.db2.gz	JYDGEKQLJPAQMD-AWEZNQCLSA-N	1	0	350.488	1.835	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1F	ZINC000589393089	551727077	/nfs/dbraw/zinc/72/70/77/551727077.db2.gz	XNNQSXPZHBYCAL-INIZCTEOSA-N	1	0	374.416	1.349	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(c3cnccc3C#N)CC2)C1	ZINC000589877081	551748789	/nfs/dbraw/zinc/74/87/89/551748789.db2.gz	VXCVWEKGEAPZTN-KRWDZBQOSA-N	1	0	370.501	1.905	20	30		FDEDRO
C[N@H+]1C[C@H]2[C@@H](CCN2CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1	ZINC000590010320	551756738	/nfs/dbraw/zinc/75/67/38/551756738.db2.gz	BVTHVXXIOVOYKN-ULQDDVLXSA-N	1	0	373.526	1.093	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3ccccc3SCCC#N)[C@H]2C1	ZINC000590281129	551769761	/nfs/dbraw/zinc/76/97/61/551769761.db2.gz	MFQOMJKZOTVVBE-HIFRSBDPSA-N	1	0	358.467	1.793	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)CCc3ccc(C#N)cc3)CC2)C1=O	ZINC000590368497	551776574	/nfs/dbraw/zinc/77/65/74/551776574.db2.gz	CQYMVNQZBAKGOC-SFHVURJKSA-N	1	0	354.454	1.302	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCCc4nn[nH]c43)CC2)cc1	ZINC000590415042	551781887	/nfs/dbraw/zinc/78/18/87/551781887.db2.gz	KDKOJAGZHVLIRU-KRWDZBQOSA-N	1	0	364.453	1.831	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3ccccn3)C2)CC1	ZINC000590600832	551797457	/nfs/dbraw/zinc/79/74/57/551797457.db2.gz	NPNNWVNQAKBPRH-QUCCMNQESA-N	1	0	369.513	1.953	20	30		FDEDRO
C[N@@H+]1CCC[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)C1	ZINC000590665171	551802995	/nfs/dbraw/zinc/80/29/95/551802995.db2.gz	QRLHBMUNYDATTA-LBPRGKRZSA-N	1	0	352.232	1.910	20	30		FDEDRO
N#Cc1cc(Br)cnc1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000590688619	551805675	/nfs/dbraw/zinc/80/56/75/551805675.db2.gz	YFVUBJNIRCQESO-KGLIPLIRSA-N	1	0	351.248	1.751	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCN(C(=O)COc3ccc(C#N)c(Br)c3)[C@@H]2C1	ZINC000590765372	551814736	/nfs/dbraw/zinc/81/47/36/551814736.db2.gz	SGRNNIALKSXZQU-SWLSCSKDSA-N	1	0	364.243	1.862	20	30		FDEDRO
CC[C@@H]1C[N@H+](C)CCN1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000590920629	551826818	/nfs/dbraw/zinc/82/68/18/551826818.db2.gz	XEJCUYVGRJSOBI-QGZVFWFLSA-N	1	0	356.474	1.658	20	30		FDEDRO
C[NH+](C)CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)CC1(C#N)CC1	ZINC000590978831	551831970	/nfs/dbraw/zinc/83/19/70/551831970.db2.gz	JCGMTYDXSGXESS-QGZVFWFLSA-N	1	0	354.454	1.312	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)cc1	ZINC000591054578	551839434	/nfs/dbraw/zinc/83/94/34/551839434.db2.gz	NBTQLMNWNAIEFX-OALUTQOASA-N	1	0	371.481	1.969	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)ccc1Br	ZINC000591291954	551857107	/nfs/dbraw/zinc/85/71/07/551857107.db2.gz	SYBPNKLNSOWNBV-LBPRGKRZSA-N	1	0	365.231	1.518	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)cc1Br	ZINC000591292244	551857140	/nfs/dbraw/zinc/85/71/40/551857140.db2.gz	QHMCRGDUZGXWRH-GFCCVEGCSA-N	1	0	365.231	1.518	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H]1CN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CCO1	ZINC000591356218	551865657	/nfs/dbraw/zinc/86/56/57/551865657.db2.gz	SOHHCZBIMIDEEH-MFNRNEDNSA-N	1	0	373.457	1.401	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCC2CC[NH2+]CC2)CC1	ZINC000591359267	551865949	/nfs/dbraw/zinc/86/59/49/551865949.db2.gz	ZJZSIXJFPCJTHG-UHFFFAOYSA-N	1	0	358.446	1.255	20	30		FDEDRO
N#Cc1cccc(OC2CCN(C(=O)C(=O)NC[C@H]3CCCC[NH2+]3)CC2)c1	ZINC000591419193	551869406	/nfs/dbraw/zinc/86/94/06/551869406.db2.gz	QTXUPBUZLYLJGA-MRXNPFEDSA-N	1	0	370.453	1.186	20	30		FDEDRO
CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)[C@@]12CCCO2	ZINC000591760130	551906829	/nfs/dbraw/zinc/90/68/29/551906829.db2.gz	OTGUQHQCBQXQIK-MDNKFWRPSA-N	1	0	360.454	1.809	20	30		FDEDRO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1ncc(Br)cc1C#N	ZINC000591986352	551923734	/nfs/dbraw/zinc/92/37/34/551923734.db2.gz	UUWCHIUKCUQMNV-SNVBAGLBSA-N	1	0	352.236	1.272	20	30		FDEDRO
C[C@H](NC(=O)N1CC[C@](O)(CC#N)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000592006277	551925765	/nfs/dbraw/zinc/92/57/65/551925765.db2.gz	LKLOPOZVXIIURB-ILZDJORESA-N	1	0	356.470	1.957	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H](Cc2cccc(OC)c2)NC(C)=O)CC1	ZINC000592068456	551935396	/nfs/dbraw/zinc/93/53/96/551935396.db2.gz	NEYZKFKQVQOYDU-IBGZPJMESA-N	1	0	359.470	1.509	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000592070409	551935724	/nfs/dbraw/zinc/93/57/24/551935724.db2.gz	RZFAYDYFNVXQNS-UHFFFAOYSA-N	1	0	351.472	1.033	20	30		FDEDRO
C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2ccncc2C#N)CC1	ZINC000592069241	551935821	/nfs/dbraw/zinc/93/58/21/551935821.db2.gz	NLOSAAQAJYYLIY-UHFFFAOYSA-N	1	0	357.502	1.869	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN(C[C@H](O)COc1ccc(CC#N)cc1)CCO2	ZINC000592182187	551954619	/nfs/dbraw/zinc/95/46/19/551954619.db2.gz	LGRSNMYBFZLZBP-SFHVURJKSA-N	1	0	359.470	1.289	20	30		FDEDRO
C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)N3CC[C@](O)(CC#N)C3)ccc21	ZINC000592299447	551974417	/nfs/dbraw/zinc/97/44/17/551974417.db2.gz	JHQYOIZOFXJVJP-QFBILLFUSA-N	1	0	356.426	1.051	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CCOC3(CC[NH+](C)CC3)C2)c1C#N	ZINC000592313077	551978630	/nfs/dbraw/zinc/97/86/30/551978630.db2.gz	IUGCCRGIKYIUHJ-UHFFFAOYSA-N	1	0	356.426	1.128	20	30		FDEDRO
CC1CC[NH+](CCCNC(=O)C(=O)NCc2ccc(CC#N)cc2)CC1	ZINC000592326624	551980355	/nfs/dbraw/zinc/98/03/55/551980355.db2.gz	PDSSXPPSUKJYOH-UHFFFAOYSA-N	1	0	356.470	1.607	20	30		FDEDRO
CN1Cc2ccccc2[C@@H](NC(=O)C(=O)NCc2ccc(CC#N)cc2)C1	ZINC000592336465	551981465	/nfs/dbraw/zinc/98/14/65/551981465.db2.gz	BMLIZNOGKHNWBH-IBGZPJMESA-N	1	0	362.433	1.672	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CCO1	ZINC000592374298	551985713	/nfs/dbraw/zinc/98/57/13/551985713.db2.gz	KVHDDJKHOVOUCM-TVQRCGJNSA-N	1	0	363.361	1.314	20	30		FDEDRO
C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)c2cccc(Br)c2C#N)CCO1	ZINC000592374743	551985817	/nfs/dbraw/zinc/98/58/17/551985817.db2.gz	QBSLFJPYFIAMQI-BXKDBHETSA-N	1	0	374.260	1.057	20	30		FDEDRO
Cc1cc(N2CCC([NH2+]Cc3cnc4c(C#N)cnn4c3)CC2)nc(C)n1	ZINC000592508363	552003743	/nfs/dbraw/zinc/00/37/43/552003743.db2.gz	VJCKBBJPGAQXMU-UHFFFAOYSA-N	1	0	362.441	1.766	20	30		FDEDRO
C[C@H](CC(=O)NC1(C#N)CC[NH+](C)CC1)n1cc(Br)cn1	ZINC000592611580	552013183	/nfs/dbraw/zinc/01/31/83/552013183.db2.gz	KLNFVHSCDJURGL-LLVKDONJSA-N	1	0	354.252	1.701	20	30		FDEDRO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cnc(C(F)(F)F)c(C#N)c1	ZINC000592871542	552037402	/nfs/dbraw/zinc/03/74/02/552037402.db2.gz	JLGIUISEYVJTPN-JTQLQIEISA-N	1	0	369.347	1.164	20	30		FDEDRO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CCCCOc1cccc(C#N)c1	ZINC000592875053	552037699	/nfs/dbraw/zinc/03/76/99/552037699.db2.gz	VNLGKCCBIOVITH-MRXNPFEDSA-N	1	0	372.469	1.686	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1Cc2cccc(C#N)c2C1	ZINC000593334564	552091347	/nfs/dbraw/zinc/09/13/47/552091347.db2.gz	FKTBNMGGJRQUND-SFHVURJKSA-N	1	0	369.469	1.526	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CC(=O)N(C4CC4)C3)CC2)c1	ZINC000593353054	552094743	/nfs/dbraw/zinc/09/47/43/552094743.db2.gz	MNYPIUQRMCEYFE-QGZVFWFLSA-N	1	0	366.465	1.650	20	30		FDEDRO
Cn1cnc(CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1	ZINC000593387594	552100514	/nfs/dbraw/zinc/10/05/14/552100514.db2.gz	TWGRVBQVBCCXDZ-UHFFFAOYSA-N	1	0	353.430	1.151	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(Br)cc2C#N)C1	ZINC000593457023	552111229	/nfs/dbraw/zinc/11/12/29/552111229.db2.gz	DPQIBZQMKWBZEI-OAHLLOKOSA-N	1	0	366.259	1.700	20	30		FDEDRO
C[NH+](C)CCN1CCN(c2cccc(Br)c2C#N)CC1=O	ZINC000593486254	552116188	/nfs/dbraw/zinc/11/61/88/552116188.db2.gz	RQGQFYBXODZMOV-UHFFFAOYSA-N	1	0	351.248	1.531	20	30		FDEDRO
C[C@H]1C(=O)NCCCN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593513047	552120004	/nfs/dbraw/zinc/12/00/04/552120004.db2.gz	DGZMEJFQMKHZRC-HNNXBMFYSA-N	1	0	369.469	1.443	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@@H]3CC[C@H](O)C3)CC2)c1	ZINC000593514653	552120843	/nfs/dbraw/zinc/12/08/43/552120843.db2.gz	YAKFAZMWYDWSDM-APWZRJJASA-N	1	0	356.470	1.983	20	30		FDEDRO
N#CC[C@]1(O)CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000593518613	552121638	/nfs/dbraw/zinc/12/16/38/552121638.db2.gz	XICIUMHBUNQOKU-FQEVSTJZSA-N	1	0	367.453	1.583	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1	ZINC000593550677	552130615	/nfs/dbraw/zinc/13/06/15/552130615.db2.gz	GMVWGBNOZOYLIC-TZMCWYRMSA-N	1	0	365.455	1.448	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C	ZINC000593561190	552134635	/nfs/dbraw/zinc/13/46/35/552134635.db2.gz	YFUWYDNBLJNOLM-GFCCVEGCSA-N	1	0	367.471	1.599	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCC[N@@H+]1CCCC1(C)C	ZINC000593604560	552149512	/nfs/dbraw/zinc/14/95/12/552149512.db2.gz	AOWNFWXRVVARNS-UHFFFAOYSA-N	1	0	365.455	1.498	20	30		FDEDRO
N#Cc1cccc2c1CN(C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C2	ZINC000593716054	552181328	/nfs/dbraw/zinc/18/13/28/552181328.db2.gz	OSVPTDWANDSRPE-HNNXBMFYSA-N	1	0	367.375	1.420	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1	ZINC000593732511	552186028	/nfs/dbraw/zinc/18/60/28/552186028.db2.gz	OPUUXDKBDKQIMI-ZACQAIPSSA-N	1	0	363.483	1.916	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCC2(C[NH3+])CC2)cc1	ZINC000593763937	552193537	/nfs/dbraw/zinc/19/35/37/552193537.db2.gz	SZZXLSSEMXPNAA-LBPRGKRZSA-N	1	0	350.444	1.623	20	30		FDEDRO
C[NH2+]Cc1ccccc1CNC(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1	ZINC000593768006	552194595	/nfs/dbraw/zinc/19/45/95/552194595.db2.gz	ONEHTSMOXWEETA-CQSZACIVSA-N	1	0	350.422	1.771	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCCC1CC[NH2+]CC1	ZINC000593778639	552195780	/nfs/dbraw/zinc/19/57/80/552195780.db2.gz	PBHGYALIPCSCIG-UHFFFAOYSA-N	1	0	358.442	1.790	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H](O)C3CCOCC3)CC2)c1	ZINC000593882715	552216452	/nfs/dbraw/zinc/21/64/52/552216452.db2.gz	KYEWQHOWXNJZMD-LJQANCHMSA-N	1	0	357.454	1.426	20	30		FDEDRO
CCC[C@@H](NC(N)=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593886519	552217595	/nfs/dbraw/zinc/21/75/95/552217595.db2.gz	PRRHNITWXJDCPP-QGZVFWFLSA-N	1	0	357.458	1.476	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)CCCCCNC(N)=O)CC2)c1	ZINC000593900792	552221633	/nfs/dbraw/zinc/22/16/33/552221633.db2.gz	VNWPZEWBSQQRAW-UHFFFAOYSA-N	1	0	371.485	1.868	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1	ZINC000593919054	552225529	/nfs/dbraw/zinc/22/55/29/552225529.db2.gz	MVCWDXFGRSVGJE-NUJGCVRESA-N	1	0	373.453	1.833	20	30		FDEDRO
C[C@H]1CCNC(=O)[C@H]1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593925414	552226588	/nfs/dbraw/zinc/22/65/88/552226588.db2.gz	AIOTUHJFGMPTIZ-KSSFIOAISA-N	1	0	369.469	1.346	20	30		FDEDRO
CC(C)CCNC(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593925866	552227133	/nfs/dbraw/zinc/22/71/33/552227133.db2.gz	HYLRWHAMUMXNNE-UHFFFAOYSA-N	1	0	356.470	1.801	20	30		FDEDRO
COCCCCNC(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593927677	552227324	/nfs/dbraw/zinc/22/73/24/552227324.db2.gz	JQVCIHRQMCKLAF-UHFFFAOYSA-N	1	0	372.469	1.182	20	30		FDEDRO
COCCCN(C)C(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593934302	552229085	/nfs/dbraw/zinc/22/90/85/552229085.db2.gz	SDNAWHYRFLOCER-UHFFFAOYSA-N	1	0	372.469	1.134	20	30		FDEDRO
C[NH+](C)CCn1ccc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)n1	ZINC000594260940	552272501	/nfs/dbraw/zinc/27/25/01/552272501.db2.gz	RHSIDRXKTLOLJB-UHFFFAOYSA-N	1	0	370.432	1.418	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1	ZINC000594431984	552308708	/nfs/dbraw/zinc/30/87/08/552308708.db2.gz	UMSGVYLRSOUYHS-KRWDZBQOSA-N	1	0	360.433	1.450	20	30		FDEDRO
CC[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1cccc(S(N)(=O)=O)c1	ZINC000594435155	552309396	/nfs/dbraw/zinc/30/93/96/552309396.db2.gz	BMPMMSCETOUNBP-LSDHHAIUSA-N	1	0	352.460	1.313	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1	ZINC000594441097	552311074	/nfs/dbraw/zinc/31/10/74/552311074.db2.gz	MNWAYVKGVDIBOQ-KRWDZBQOSA-N	1	0	357.458	1.181	20	30		FDEDRO
Cc1ccc(NC(=O)C2CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC2)nc1	ZINC000594441619	552311212	/nfs/dbraw/zinc/31/12/12/552311212.db2.gz	TYFPTKDUMUOOLF-MRXNPFEDSA-N	1	0	357.458	1.978	20	30		FDEDRO
COCCOc1ccccc1N1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1	ZINC000594445404	552311789	/nfs/dbraw/zinc/31/17/89/552311789.db2.gz	JWUIUCCAVQVYLS-QGZVFWFLSA-N	1	0	374.485	1.772	20	30		FDEDRO
CO[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)[C@H]1CCOC1	ZINC000594950133	552426078	/nfs/dbraw/zinc/42/60/78/552426078.db2.gz	JAWGKYNJCQBUGH-FUHWJXTLSA-N	1	0	355.442	2.000	20	30		FDEDRO
N#CCCn1cc(C[NH2+]C[C@]2(OCCO)CCOC2)c(-c2ccncc2)n1	ZINC000594973574	552429247	/nfs/dbraw/zinc/42/92/47/552429247.db2.gz	GJOOEDNAVGNHSB-LJQANCHMSA-N	1	0	371.441	1.116	20	30		FDEDRO
CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000595152147	552468850	/nfs/dbraw/zinc/46/88/50/552468850.db2.gz	MCQGKNNAUJQHIW-UHFFFAOYSA-N	1	0	365.231	1.279	20	30		FDEDRO
C[C@@]1(C#N)CCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1	ZINC000595153777	552469577	/nfs/dbraw/zinc/46/95/77/552469577.db2.gz	PAFSVPBLQXDAKC-PXNSSMCTSA-N	1	0	360.502	1.863	20	30		FDEDRO
CN(C(=O)C(=O)N1CC[C@@](C)(C#N)C1)C1CC[NH+](CCC(F)(F)F)CC1	ZINC000595187270	552482920	/nfs/dbraw/zinc/48/29/20/552482920.db2.gz	CMUKJHJHKIRFEB-INIZCTEOSA-N	1	0	374.407	1.624	20	30		FDEDRO
CCN(C(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1)[C@H]1CC[N@H+](C)C1	ZINC000595195901	552486275	/nfs/dbraw/zinc/48/62/75/552486275.db2.gz	BETNZXNQYJMRLH-INIZCTEOSA-N	1	0	369.469	1.018	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CCO1	ZINC000595235286	552500785	/nfs/dbraw/zinc/50/07/85/552500785.db2.gz	LLISSLFDNYVNDK-OAHLLOKOSA-N	1	0	362.405	1.205	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CCO1	ZINC000595235285	552500837	/nfs/dbraw/zinc/50/08/37/552500837.db2.gz	LLISSLFDNYVNDK-HNNXBMFYSA-N	1	0	362.405	1.205	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CCO1	ZINC000595236603	552501529	/nfs/dbraw/zinc/50/15/29/552501529.db2.gz	QZXAMBRKXDAJEA-CQSZACIVSA-N	1	0	362.405	1.205	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1	ZINC000595239577	552502383	/nfs/dbraw/zinc/50/23/83/552502383.db2.gz	DBZVSEVHFGPPEU-INIZCTEOSA-N	1	0	370.453	1.744	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)c1	ZINC000595238899	552502472	/nfs/dbraw/zinc/50/24/72/552502472.db2.gz	IFHXTOMBWKQKDR-SFHVURJKSA-N	1	0	364.405	1.474	20	30		FDEDRO
C=CCCSCCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000595271153	552509016	/nfs/dbraw/zinc/50/90/16/552509016.db2.gz	IIXGJXVSPINWCQ-OAHLLOKOSA-N	1	0	354.520	1.149	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)Cc2cccc(C#N)c2)CCO1	ZINC000595403938	552551095	/nfs/dbraw/zinc/55/10/95/552551095.db2.gz	KEKUQXFHGXIIHT-QGZVFWFLSA-N	1	0	351.472	1.431	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000595403913	552551103	/nfs/dbraw/zinc/55/11/03/552551103.db2.gz	KCDOWHFLSGFAIZ-MRXNPFEDSA-N	1	0	351.472	1.598	20	30		FDEDRO
C[NH+](C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)CC(C)(C)CC#N	ZINC000595404300	552551153	/nfs/dbraw/zinc/55/11/53/552551153.db2.gz	SWLDFRIOVFYMCT-OAHLLOKOSA-N	1	0	357.520	1.831	20	30		FDEDRO
C[NH+](C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)c1cccc(C#N)c1	ZINC000595404390	552551450	/nfs/dbraw/zinc/55/14/50/552551450.db2.gz	XNCBHJIVJNSZHB-MRXNPFEDSA-N	1	0	363.483	1.822	20	30		FDEDRO
C=CCCSCCNC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1	ZINC000595444985	552561412	/nfs/dbraw/zinc/56/14/12/552561412.db2.gz	QKVICVNRHVQHMJ-UHFFFAOYSA-N	1	0	363.531	1.942	20	30		FDEDRO
CC(C)C[NH2+]C1(CO)CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1	ZINC000595511358	552576051	/nfs/dbraw/zinc/57/60/51/552576051.db2.gz	IVQAQMGKGAOSMK-KRWDZBQOSA-N	1	0	364.534	1.790	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](CC#N)C3)CC2)o1	ZINC000595621871	552593794	/nfs/dbraw/zinc/59/37/94/552593794.db2.gz	YYOOCPUELRSQSR-OAHLLOKOSA-N	1	0	356.430	1.129	20	30		FDEDRO
CN(C(=O)C[N@H+](CCN1CCOCC1)CC1CC1)C1(C#N)CCCCC1	ZINC000595810044	552619015	/nfs/dbraw/zinc/61/90/15/552619015.db2.gz	WFMQBUYPVKSHQV-UHFFFAOYSA-N	1	0	362.518	1.715	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)CC1	ZINC000595831774	552621445	/nfs/dbraw/zinc/62/14/45/552621445.db2.gz	SDKFAJJACUOQIG-UXHICEINSA-N	1	0	370.497	1.832	20	30		FDEDRO
COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CC[C@](C)(C#N)C3)CC2)cc1	ZINC000595839514	552621769	/nfs/dbraw/zinc/62/17/69/552621769.db2.gz	GMTUQWGLNFWXKK-OAQYLSRUSA-N	1	0	370.497	1.965	20	30		FDEDRO
N#Cc1ccc(Cl)cc1NC(=O)CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC000595866879	552625701	/nfs/dbraw/zinc/62/57/01/552625701.db2.gz	MVKFACRXZVDOHA-MRXNPFEDSA-N	1	0	362.861	1.681	20	30		FDEDRO
C[C@H]([NH3+])[C@H](C)C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595970171	552640337	/nfs/dbraw/zinc/64/03/37/552640337.db2.gz	LBSHCVVANRVMAK-KBPBESRZSA-N	1	0	352.442	1.580	20	30		FDEDRO
CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000595982072	552640909	/nfs/dbraw/zinc/64/09/09/552640909.db2.gz	RWNBTLMMWCCMMP-UHFFFAOYSA-N	1	0	358.442	1.124	20	30		FDEDRO
C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000596071364	552652429	/nfs/dbraw/zinc/65/24/29/552652429.db2.gz	ZAHBJUXGJHYMAU-YOEHRIQHSA-N	1	0	359.451	1.481	20	30		FDEDRO
CCc1nc(C#N)cc(N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)n1	ZINC000596089325	552653970	/nfs/dbraw/zinc/65/39/70/552653970.db2.gz	YKRWBHBLXHQQBL-UHFFFAOYSA-N	1	0	372.517	1.831	20	30		FDEDRO
C[C@H]1CN(c2nc3ncccc3cc2C#N)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000596180740	552662607	/nfs/dbraw/zinc/66/26/07/552662607.db2.gz	SXECZFRUOKPTDE-YJBOKZPZSA-N	1	0	350.470	1.964	20	30		FDEDRO
C[NH+](C)C1(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CC1	ZINC000596733818	552705790	/nfs/dbraw/zinc/70/57/90/552705790.db2.gz	KRFIMGWNRSAJFV-UHFFFAOYSA-N	1	0	352.442	1.469	20	30		FDEDRO
CCN(C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1)[C@@H]1CC[N@H+](C)C1	ZINC000596877289	552720546	/nfs/dbraw/zinc/72/05/46/552720546.db2.gz	PIXXEHBLUZANAG-UKRRQHHQSA-N	1	0	364.471	1.930	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@@H](C[C@H]1COCCO1)C(F)(F)F	ZINC000596926059	552725024	/nfs/dbraw/zinc/72/50/24/552725024.db2.gz	LEGCOOOKNSQMJA-UONOGXRCSA-N	1	0	365.396	1.664	20	30		FDEDRO
N#Cc1cccc(NC(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)n1	ZINC000596932602	552725709	/nfs/dbraw/zinc/72/57/09/552725709.db2.gz	BBQPOIBQQMCHPJ-KRWDZBQOSA-N	1	0	351.410	1.842	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1nnn(C(C)(C)C)n1	ZINC000596973522	552730363	/nfs/dbraw/zinc/73/03/63/552730363.db2.gz	KQEBQQGQAFVUAC-UHFFFAOYSA-N	1	0	369.473	1.433	20	30		FDEDRO
CC[C@@H](NC(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CC1	ZINC000597351772	552778578	/nfs/dbraw/zinc/77/85/78/552778578.db2.gz	BXKSRMTVGKTBDF-LJQANCHMSA-N	1	0	368.481	1.944	20	30		FDEDRO
N#CC1(CC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CCOCC1	ZINC000597384209	552782449	/nfs/dbraw/zinc/78/24/49/552782449.db2.gz	BEFDDAXJZHQBKP-GOSISDBHSA-N	1	0	357.454	1.232	20	30		FDEDRO
C[NH+](C)C[C@H](CO)NC(=O)c1ccc(OCc2ccccc2C#N)cc1	ZINC000597655598	552818322	/nfs/dbraw/zinc/81/83/22/552818322.db2.gz	YVESJDCPCMLNFS-GOSISDBHSA-N	1	0	353.422	1.790	20	30		FDEDRO
Cc1cc(C(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@@H]([NH+](C)C)C2)ncc1C#N	ZINC000597693261	552822957	/nfs/dbraw/zinc/82/29/57/552822957.db2.gz	UGVOFXMPNRXSHQ-AEFFLSMTSA-N	1	0	371.485	1.569	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)c3nc4ncccn4n3)CC2)c1	ZINC000597818778	552836228	/nfs/dbraw/zinc/83/62/28/552836228.db2.gz	FKHVYBJJGQWUCC-UHFFFAOYSA-N	1	0	361.409	1.390	20	30		FDEDRO
COc1cccc(OCCN2CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC2)c1	ZINC000598593070	552912655	/nfs/dbraw/zinc/91/26/55/552912655.db2.gz	OYLVBKYRIXZRLN-KRWDZBQOSA-N	1	0	361.486	1.992	20	30		FDEDRO
CN1CCN(C(=O)c2ccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)cc2)CC1	ZINC000598699251	552926373	/nfs/dbraw/zinc/92/63/73/552926373.db2.gz	DOFHJUJUTPASKP-GOSISDBHSA-N	1	0	358.486	1.465	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000598720636	552927956	/nfs/dbraw/zinc/92/79/56/552927956.db2.gz	QHRGPJPSWFYUOT-RBUKOAKNSA-N	1	0	372.513	1.774	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[NH2+]CCC(=O)N1CCN(c2ccccc2)CC1	ZINC000598718712	552928067	/nfs/dbraw/zinc/92/80/67/552928067.db2.gz	CVDWTCPAFKAJLG-GOSISDBHSA-N	1	0	358.486	1.616	20	30		FDEDRO
Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]C[C@@H](O)CC(C)(C)C#N	ZINC000598729093	552928507	/nfs/dbraw/zinc/92/85/07/552928507.db2.gz	ZKSXGUJEZYWREJ-AWEZNQCLSA-N	1	0	373.906	1.817	20	30		FDEDRO
N#Cc1ccc(NC(=O)N2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1	ZINC000598913962	552944015	/nfs/dbraw/zinc/94/40/15/552944015.db2.gz	SERCODPKNQHSMV-IRXDYDNUSA-N	1	0	368.441	1.310	20	30		FDEDRO
COc1ccc(CN2CC[C@H]2CNC(=O)NC2CCN(CC#N)CC2)cc1	ZINC000598986786	552954167	/nfs/dbraw/zinc/95/41/67/552954167.db2.gz	QMOTZPZCLDIHAB-SFHVURJKSA-N	1	0	371.485	1.557	20	30		FDEDRO
CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)Cc1ccc(C#N)nc1	ZINC000599165925	552978131	/nfs/dbraw/zinc/97/81/31/552978131.db2.gz	WAZWYJGNKQEEOE-SFHVURJKSA-N	1	0	372.469	1.762	20	30		FDEDRO
C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1	ZINC000599240280	552998606	/nfs/dbraw/zinc/99/86/06/552998606.db2.gz	XHPXMGCNJVXDOJ-QGZVFWFLSA-N	1	0	370.505	1.461	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)CCOCC1	ZINC000599256353	553005283	/nfs/dbraw/zinc/00/52/83/553005283.db2.gz	JUVUEWTXYBGSLY-IBGZPJMESA-N	1	0	371.481	1.906	20	30		FDEDRO
C[N@@H+](Cc1ccc([S@@](C)=O)cc1)C[C@H](O)CC1(C#N)CCOCC1	ZINC000599307061	553021905	/nfs/dbraw/zinc/02/19/05/553021905.db2.gz	LMFBOYZTBBLENE-VOIUYBSRSA-N	1	0	350.484	1.927	20	30		FDEDRO
CS[C@@H]1CN(C[C@H](O)CC2(C#N)CCOCC2)C[C@@H]1[NH+]1CCCC1	ZINC000599371736	553038343	/nfs/dbraw/zinc/03/83/43/553038343.db2.gz	QDKQWRDAJYRQFN-IXDOHACOSA-N	1	0	353.532	1.569	20	30		FDEDRO
CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1	ZINC000599372368	553038928	/nfs/dbraw/zinc/03/89/28/553038928.db2.gz	ZYALURHMTIRXGQ-XHSDSOJGSA-N	1	0	354.447	1.100	20	30		FDEDRO
N#CC1(C[C@H](O)CN2CCO[C@@H](COc3ccccc3)C2)CCOCC1	ZINC000599391646	553043459	/nfs/dbraw/zinc/04/34/59/553043459.db2.gz	PFVPSYIGEWYJOI-PKOBYXMFSA-N	1	0	360.454	1.838	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@]1(CO)CCOc2ccccc21	ZINC000599398086	553045829	/nfs/dbraw/zinc/04/58/29/553045829.db2.gz	SPOFGBKFLMNCPY-UZLBHIALSA-N	1	0	354.406	1.558	20	30		FDEDRO
COC(=O)[C@@H]1C[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C[C@@H]1c1ccccc1	ZINC000599438293	553056570	/nfs/dbraw/zinc/05/65/70/553056570.db2.gz	UXUQPXHHDAAMOT-GUDVDZBRSA-N	1	0	372.465	1.946	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C	ZINC000599441529	553057701	/nfs/dbraw/zinc/05/77/01/553057701.db2.gz	BSQDMQLMZZNCKC-SOLBZPMBSA-N	1	0	364.515	1.965	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](N3CCC([NH+]4CCOCC4)CC3)C2=O)cc1	ZINC000599472771	553067482	/nfs/dbraw/zinc/06/74/82/553067482.db2.gz	POYZYQJGHNXYBJ-HXUWFJFHSA-N	1	0	368.481	1.850	20	30		FDEDRO
N#CCCCN1C(=O)CCc2cc(NC(=O)NC[C@H]3COCC[NH2+]3)ccc21	ZINC000599606956	553101951	/nfs/dbraw/zinc/10/19/51/553101951.db2.gz	RZSXQZIRFMNYRT-INIZCTEOSA-N	1	0	371.441	1.379	20	30		FDEDRO
CCC1(N2CCOCC2)CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1	ZINC000599663032	553116268	/nfs/dbraw/zinc/11/62/68/553116268.db2.gz	ABHBQCOXAQDFOJ-IBGZPJMESA-N	1	0	373.497	1.875	20	30		FDEDRO
CNS(=O)(=O)C[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1	ZINC000599695997	553124444	/nfs/dbraw/zinc/12/44/44/553124444.db2.gz	ZPMIOYIQIPWBOP-OAHLLOKOSA-N	1	0	364.471	1.148	20	30		FDEDRO
COc1cc(NC(=O)NCCN2C[C@H](C)OC[C@H]2C)c(F)cc1C#N	ZINC000599808494	553153515	/nfs/dbraw/zinc/15/35/15/553153515.db2.gz	MNOYZDRPGASXSP-NEPJUHHUSA-N	1	0	350.394	1.937	20	30		FDEDRO
COc1cc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(F)cc1C#N	ZINC000599818117	553154776	/nfs/dbraw/zinc/15/47/76/553154776.db2.gz	UGNDREZOVKEBAY-HZPDHXFCSA-N	1	0	362.405	1.769	20	30		FDEDRO
CCN(CC[NH3+])C(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1	ZINC000599887207	553167456	/nfs/dbraw/zinc/16/74/56/553167456.db2.gz	ARUXEHMJSJLHLI-UHFFFAOYSA-N	1	0	354.414	1.107	20	30		FDEDRO
CCN(CC[NH3+])C(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	ZINC000599887852	553167725	/nfs/dbraw/zinc/16/77/25/553167725.db2.gz	MXJDSGFWUTTYBM-UHFFFAOYSA-N	1	0	367.409	1.800	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)c(F)cc1C#N	ZINC000599932145	553176281	/nfs/dbraw/zinc/17/62/81/553176281.db2.gz	MRBKFHLBQWMZSI-UHFFFAOYSA-N	1	0	362.405	1.493	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c(F)cc1C#N	ZINC000599954228	553184301	/nfs/dbraw/zinc/18/43/01/553184301.db2.gz	BWJVGTXKYQZSLO-BMIGLBTASA-N	1	0	360.389	1.243	20	30		FDEDRO
C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C[NH2+]1	ZINC000599961380	553186700	/nfs/dbraw/zinc/18/67/00/553186700.db2.gz	BNRDSRLVERASPE-GDBMZVCRSA-N	1	0	370.453	1.185	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(F)cc1C#N	ZINC000599971478	553189435	/nfs/dbraw/zinc/18/94/35/553189435.db2.gz	BOUOAUWWCXMWRE-BLLLJJGKSA-N	1	0	374.416	1.587	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c(F)cc1C#N	ZINC000599972334	553189948	/nfs/dbraw/zinc/18/99/48/553189948.db2.gz	XFYLOBGHSRHECZ-NSHDSACASA-N	1	0	360.389	1.411	20	30		FDEDRO
CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)Cc2ccc(C#N)nc2)C1	ZINC000600114233	553220369	/nfs/dbraw/zinc/22/03/69/553220369.db2.gz	CYOPVVUGQQVEIP-FQEVSTJZSA-N	1	0	363.465	1.428	20	30		FDEDRO
N#Cc1cc(Cl)c(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c(Cl)c1	ZINC000600234527	553234393	/nfs/dbraw/zinc/23/43/93/553234393.db2.gz	POVUHSSXWWTYBZ-ZDUSSCGKSA-N	1	0	369.252	1.935	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]Cc2ccccc2OCCN2CCOCC2)CC1	ZINC000600721037	553307201	/nfs/dbraw/zinc/30/72/01/553307201.db2.gz	KCNBVBJIKDDQGT-SFHVURJKSA-N	1	0	359.470	1.542	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]CC(=O)Nc2ccc(Cl)cc2)CCOCC1	ZINC000600721791	553307227	/nfs/dbraw/zinc/30/72/27/553307227.db2.gz	XJJQUTPJIONGEY-HNNXBMFYSA-N	1	0	351.834	1.939	20	30		FDEDRO
CCOc1ccc(NC(=O)C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)cc1	ZINC000600723733	553307512	/nfs/dbraw/zinc/30/75/12/553307512.db2.gz	ZJZADMXRQHBZQO-MRXNPFEDSA-N	1	0	361.442	1.685	20	30		FDEDRO
C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CC2(C#N)CCOCC2)C(=O)N1c1ccccc1	ZINC000600724438	553307629	/nfs/dbraw/zinc/30/76/29/553307629.db2.gz	OKBGIDSNPYWOPA-KBAYOESNSA-N	1	0	357.454	1.841	20	30		FDEDRO
CC(=O)Nc1cccc(OCC[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)c1	ZINC000600723534	553307678	/nfs/dbraw/zinc/30/76/78/553307678.db2.gz	VTPHZVJPEZARLH-KRWDZBQOSA-N	1	0	361.442	1.685	20	30		FDEDRO
COc1cc(OC)cc(N2CC[C@H]([NH2+]C[C@H](O)CC3(C#N)CC3)C2=O)c1	ZINC000600727422	553308160	/nfs/dbraw/zinc/30/81/60/553308160.db2.gz	IGGRJQKTHPEJDT-PBHICJAKSA-N	1	0	359.426	1.453	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@H]2CCCN(c3ccccc3)C2=O)CCOCC1	ZINC000600729104	553308510	/nfs/dbraw/zinc/30/85/10/553308510.db2.gz	WVYYJUVFGWWZEJ-ROUUACIJSA-N	1	0	357.454	1.843	20	30		FDEDRO
COc1ccc(CN2CC[C@@H]([NH2+]C[C@H](O)CC3(C#N)CC3)C2=O)c(OC)c1	ZINC000600739793	553309783	/nfs/dbraw/zinc/30/97/83/553309783.db2.gz	FVWKFRKOYNHTOK-NVXWUHKLSA-N	1	0	373.453	1.449	20	30		FDEDRO
C=CCc1cc(C[NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)OC)cc(OC)c1O	ZINC000601147116	553352851	/nfs/dbraw/zinc/35/28/51/553352851.db2.gz	VMDHAPJXYSRDCP-RYUDHWBXSA-N	1	0	350.415	1.285	20	30		FDEDRO
N#CCCn1cc(C[NH2+]C2CN(c3ccncn3)C2)c(-c2ccncc2)n1	ZINC000601157822	553353865	/nfs/dbraw/zinc/35/38/65/553353865.db2.gz	GLGNYYJLRCFJAT-UHFFFAOYSA-N	1	0	360.425	1.627	20	30		FDEDRO
N#Cc1cnc(N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c2sccc21	ZINC000601171186	553355862	/nfs/dbraw/zinc/35/58/62/553355862.db2.gz	HSLXBGFHKYVJFK-AWEZNQCLSA-N	1	0	355.467	1.959	20	30		FDEDRO
N#CC1(CS(=O)(=O)N2CCC([N@@H+]3CCCOCC3)CC2)CCCC1	ZINC000601440572	553406370	/nfs/dbraw/zinc/40/63/70/553406370.db2.gz	TULYBXYLUQKJJK-UHFFFAOYSA-N	1	0	355.504	1.587	20	30		FDEDRO
C[C@@H](c1cccc(C#N)c1)N(C)S(=O)(=O)CCCN1CC[NH+](C)CC1	ZINC000601448087	553408336	/nfs/dbraw/zinc/40/83/36/553408336.db2.gz	CFFKTVBLBFPFTR-INIZCTEOSA-N	1	0	364.515	1.518	20	30		FDEDRO
C[NH+](C)CCCS(=O)(=O)NC1CCN(Cc2cccc(C#N)c2)CC1	ZINC000601455699	553410604	/nfs/dbraw/zinc/41/06/04/553410604.db2.gz	MYFCDYNIDDTOKE-UHFFFAOYSA-N	1	0	364.515	1.394	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000601482362	553417201	/nfs/dbraw/zinc/41/72/01/553417201.db2.gz	TWJSFQLQMCQHHJ-SOLBZPMBSA-N	1	0	364.515	1.823	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000601482595	553417312	/nfs/dbraw/zinc/41/73/12/553417312.db2.gz	XRGPBOQMXBHQJL-RYRKJORJSA-N	1	0	364.515	1.680	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNS(=O)(=O)N(C)CCC#N	ZINC000601482386	553417321	/nfs/dbraw/zinc/41/73/21/553417321.db2.gz	UISGOQFCJQGKEC-NVXWUHKLSA-N	1	0	350.488	1.434	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12	ZINC000601967132	553496584	/nfs/dbraw/zinc/49/65/84/553496584.db2.gz	IEBVOCDZQBJAIV-IPALMDDQSA-N	1	0	364.287	1.883	20	30		FDEDRO
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCN(c2cccc(F)c2C#N)CC1	ZINC000602060087	553510661	/nfs/dbraw/zinc/51/06/61/553510661.db2.gz	SOEMSDJFDZBKQM-UHFFFAOYSA-N	1	0	374.460	1.704	20	30		FDEDRO
CCC1([NH+](C)C)CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC)CC1	ZINC000602067031	553512391	/nfs/dbraw/zinc/51/23/91/553512391.db2.gz	RELSVLGQYRMQNG-UHFFFAOYSA-N	1	0	358.442	1.838	20	30		FDEDRO
C[C@H](C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)[NH+](C)C	ZINC000602180144	553534799	/nfs/dbraw/zinc/53/47/99/553534799.db2.gz	JUNVIZUOFCIHMJ-CQSZACIVSA-N	1	0	352.442	1.547	20	30		FDEDRO
COc1cccc([C@@H](CNC(=O)N2CCN(CCC#N)CC2)[NH+](C)C)c1	ZINC000602224693	553542158	/nfs/dbraw/zinc/54/21/58/553542158.db2.gz	LDXHGNFVZXKRMW-GOSISDBHSA-N	1	0	359.474	1.539	20	30		FDEDRO
CCn1nncc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000602341629	553566415	/nfs/dbraw/zinc/56/64/15/553566415.db2.gz	IFMJPDHHUIOAHP-UHFFFAOYSA-N	1	0	355.446	1.443	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N1CC[C@@](O)(CC#N)C1	ZINC000602389718	553574499	/nfs/dbraw/zinc/57/44/99/553574499.db2.gz	RHLHINXKRIUJGD-KPFFTGBYSA-N	1	0	356.470	1.815	20	30		FDEDRO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2	ZINC000602522347	553598098	/nfs/dbraw/zinc/59/80/98/553598098.db2.gz	VQONWYIEHZBWMA-GJZGRUSLSA-N	1	0	362.426	1.844	20	30		FDEDRO
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1	ZINC000602533956	553600169	/nfs/dbraw/zinc/60/01/69/553600169.db2.gz	ZYUSZOPDTHDNRW-GOSISDBHSA-N	1	0	356.470	1.801	20	30		FDEDRO
N#Cc1c(NC(=O)CC[NH+]2[C@H](CO)CC[C@H]2CO)sc2c1CCCC2	ZINC000602882250	553659072	/nfs/dbraw/zinc/65/90/72/553659072.db2.gz	AYWONSBOWKTEQB-STQMWFEESA-N	1	0	363.483	1.645	20	30		FDEDRO
CC[N@H+](CC(=O)N(CCC#N)CCC#N)[C@H]1CCN(CC(F)(F)F)C1	ZINC000602892579	553662453	/nfs/dbraw/zinc/66/24/53/553662453.db2.gz	QCRCWJHFTNMEQV-AWEZNQCLSA-N	1	0	359.396	1.601	20	30		FDEDRO
Cc1cc(N(CCC#N)C(=O)CN2C[C@@H](O)C[C@@]2(C)CO)ccc1Cl	ZINC000602905120	553665798	/nfs/dbraw/zinc/66/57/98/553665798.db2.gz	FXTLDMSCXCEAFF-YJBOKZPZSA-N	1	0	365.861	1.713	20	30		FDEDRO
COC[C@](C)(CO)[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000602933592	553673236	/nfs/dbraw/zinc/67/32/36/553673236.db2.gz	UNSRJWJFDFFYPC-KRWDZBQOSA-N	1	0	351.472	1.814	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@H](C)c3cnc(C)s3)CC2)o1	ZINC000602956196	553679263	/nfs/dbraw/zinc/67/92/63/553679263.db2.gz	MFMNNTXHQMSVGM-LLVKDONJSA-N	1	0	374.470	1.619	20	30		FDEDRO
CC[NH+]1CCN(c2cccc(NC(=O)N3CCN(CCC#N)CC3)c2)CC1	ZINC000602957932	553679959	/nfs/dbraw/zinc/67/99/59/553679959.db2.gz	AHRDOLQJUBXTGI-UHFFFAOYSA-N	1	0	370.501	1.892	20	30		FDEDRO
CCOC(=O)c1nnn(C2CC[NH+](CC#CCOC)CC2)c1C(F)F	ZINC000602968716	553683528	/nfs/dbraw/zinc/68/35/28/553683528.db2.gz	NJDGFTNGAMRCCG-UHFFFAOYSA-N	1	0	356.373	1.679	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)CC1	ZINC000602997738	553688739	/nfs/dbraw/zinc/68/87/39/553688739.db2.gz	PQWGDFJNLHBUON-XWSJACJDSA-N	1	0	362.518	1.304	20	30		FDEDRO
CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)Nc1cc(F)cc(C#N)c1	ZINC000603068324	553705397	/nfs/dbraw/zinc/70/53/97/553705397.db2.gz	YECDCPUDBAKYGR-SFHVURJKSA-N	1	0	362.405	1.435	20	30		FDEDRO
Cc1cc(NC(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)ncc1C#N	ZINC000603122671	553713199	/nfs/dbraw/zinc/71/31/99/553713199.db2.gz	UIGKAOCAAYCUKP-KRWDZBQOSA-N	1	0	356.474	1.894	20	30		FDEDRO
COc1cc(OC)c(OC)c2[nH]c(C(=O)NC3(C#N)CC[NH+](C)CC3)cc21	ZINC000603634321	553807889	/nfs/dbraw/zinc/80/78/89/553807889.db2.gz	DMGVNFZJYPETEK-UHFFFAOYSA-N	1	0	372.425	1.911	20	30		FDEDRO
C[NH+](C)CCn1cc(NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)cn1	ZINC000609100838	554337344	/nfs/dbraw/zinc/33/73/44/554337344.db2.gz	XUSMZVYHMWCHMG-SFHVURJKSA-N	1	0	352.442	1.924	20	30		FDEDRO
Cc1cc(S(N)(=O)=O)sc1C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000609167238	554345560	/nfs/dbraw/zinc/34/55/60/554345560.db2.gz	POFVVUOLBYEGDZ-UHFFFAOYSA-N	1	0	358.489	1.012	20	30		FDEDRO
N#CCCCOc1cccc(C[NH2+]CCCN2CCCS2(=O)=O)c1	ZINC000609223581	554350809	/nfs/dbraw/zinc/35/08/09/554350809.db2.gz	HDLJUOBYDJBQIK-UHFFFAOYSA-N	1	0	351.472	1.884	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000609620107	554403600	/nfs/dbraw/zinc/40/36/00/554403600.db2.gz	MDGAMAVAUBYORM-PZJWPPBQSA-N	1	0	370.497	1.316	20	30		FDEDRO
C[C@@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)C1CC[NH+](C)CC1	ZINC000610027337	554450203	/nfs/dbraw/zinc/45/02/03/554450203.db2.gz	CPSQGHWBLJIMHG-OAHLLOKOSA-N	1	0	356.474	1.515	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)CCCC[NH+](C)C	ZINC000610111733	554462550	/nfs/dbraw/zinc/46/25/50/554462550.db2.gz	ASPQPTHRTJCRFF-UHFFFAOYSA-N	1	0	356.474	1.951	20	30		FDEDRO
CN(CCCC[NH+](C)C)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000610111791	554462836	/nfs/dbraw/zinc/46/28/36/554462836.db2.gz	FIZTXEOYCWRVCT-UHFFFAOYSA-N	1	0	351.472	1.273	20	30		FDEDRO
CCO[C@@H]1C[C@H](O)C12CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2	ZINC000610162126	554470094	/nfs/dbraw/zinc/47/00/94/554470094.db2.gz	WQAPPUOTJVSGQV-KYHPRHEASA-N	1	0	351.491	1.681	20	30		FDEDRO
Cc1cc(C)c2ncc(C#N)c(N3CCN(CC(=O)N(C)C)CC3)c2c1	ZINC000610245492	554477422	/nfs/dbraw/zinc/47/74/22/554477422.db2.gz	IIKCTJIKNIEILJ-UHFFFAOYSA-N	1	0	351.454	1.934	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)CC1	ZINC000610292433	554487293	/nfs/dbraw/zinc/48/72/93/554487293.db2.gz	JTNCHQSLXGNNJM-UHFFFAOYSA-N	1	0	363.487	1.774	20	30		FDEDRO
C[C@H]([NH2+]C1CCN(CC#N)CC1)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000610420504	554503018	/nfs/dbraw/zinc/50/30/18/554503018.db2.gz	CTRFCBUYXYHXEE-AWEZNQCLSA-N	1	0	350.488	1.575	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)CNc3ccc(C#N)cc3)C2)CC1	ZINC000610727260	554554922	/nfs/dbraw/zinc/55/49/22/554554922.db2.gz	UZIZNBQLQBMUNW-LJQANCHMSA-N	1	0	355.486	1.597	20	30		FDEDRO
Cc1nnc([C@@H]2CCC[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)[nH]1	ZINC000610764356	554559447	/nfs/dbraw/zinc/55/94/47/554559447.db2.gz	NYSFMWCYKJACNO-IAGOWNOFSA-N	1	0	355.442	1.799	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)CC1	ZINC000610986778	554590888	/nfs/dbraw/zinc/59/08/88/554590888.db2.gz	SKHAYMVOJRJHIF-JTQLQIEISA-N	1	0	355.364	1.638	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)cc1	ZINC000611037883	554598970	/nfs/dbraw/zinc/59/89/70/554598970.db2.gz	WOEBMQOQHHWWEE-MSOLQXFVSA-N	1	0	355.442	1.496	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)Nc1cccc(S(N)(=O)=O)c1)c1cccc(C#N)c1	ZINC000611388340	554630404	/nfs/dbraw/zinc/63/04/04/554630404.db2.gz	FONJYQLYDYSWEB-GFCCVEGCSA-N	1	0	358.423	1.495	20	30		FDEDRO
N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](CCC(=O)N2CCOCC2)CC1	ZINC000611553412	554645952	/nfs/dbraw/zinc/64/59/52/554645952.db2.gz	ZICMIXMAFRIWBM-SFHVURJKSA-N	1	0	360.433	1.257	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000611679986	554664606	/nfs/dbraw/zinc/66/46/06/554664606.db2.gz	FUANLYVCTKGZKL-QUCCMNQESA-N	1	0	359.470	1.211	20	30		FDEDRO
Cn1cc(CN2CC[NH+]([C@H]3CCOC3)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000611792717	554681373	/nfs/dbraw/zinc/68/13/73/554681373.db2.gz	NRHDWULMNOFVBP-IBGZPJMESA-N	1	0	351.454	1.865	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1	ZINC000611874530	554694270	/nfs/dbraw/zinc/69/42/70/554694270.db2.gz	KLFZZPUFRWLKRN-ZACQAIPSSA-N	1	0	351.491	1.320	20	30		FDEDRO
C[C@@H](NC(=O)N1CCN(c2cccc(C#N)n2)CC1)C1CC[NH+](C)CC1	ZINC000612812978	554843640	/nfs/dbraw/zinc/84/36/40/554843640.db2.gz	VXTNQLDDFUNDDA-OAHLLOKOSA-N	1	0	356.474	1.515	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000613992106	554994957	/nfs/dbraw/zinc/99/49/57/554994957.db2.gz	HIMPOZPFYBRKBP-VQTJNVASSA-N	1	0	373.497	1.865	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCOCC3(CCCC3)C2)CC1	ZINC000614222985	555026622	/nfs/dbraw/zinc/02/66/22/555026622.db2.gz	YLRIRLRMEWYEPJ-GOSISDBHSA-N	1	0	362.518	1.571	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[N@H+](CCO)C(C)(C)C1	ZINC000614923497	555138408	/nfs/dbraw/zinc/13/84/08/555138408.db2.gz	NYYGTXOGFLMKMN-QGZVFWFLSA-N	1	0	358.486	1.710	20	30		FDEDRO
C=CCN(C(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1)[C@H](C)COC	ZINC000617578105	555469539	/nfs/dbraw/zinc/46/95/39/555469539.db2.gz	CJXSEQGEFYIOPB-BRWVUGGUSA-N	1	0	351.491	1.369	20	30		FDEDRO
CN1CCC2(CC[NH+](C[C@H](O)COc3ccc(CC#N)cc3)CC2)C1=O	ZINC000618547475	555648223	/nfs/dbraw/zinc/64/82/23/555648223.db2.gz	PDYDFXOZWZRVOL-KRWDZBQOSA-N	1	0	357.454	1.437	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000618816300	555681055	/nfs/dbraw/zinc/68/10/55/555681055.db2.gz	MRYLQBFGNPYHJC-SJLPKXTDSA-N	1	0	369.469	1.432	20	30		FDEDRO
CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000619579010	555802756	/nfs/dbraw/zinc/80/27/56/555802756.db2.gz	YOVZIBZQXHZRAS-MRXNPFEDSA-N	1	0	352.442	1.882	20	30		FDEDRO
C[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)n1cnc(C#N)n1	ZINC000619594529	555806002	/nfs/dbraw/zinc/80/60/02/555806002.db2.gz	DILPDULMVZFENR-WWGRRREGSA-N	1	0	358.471	1.972	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cccc(C#N)c3)n2)C1	ZINC000619612527	555809033	/nfs/dbraw/zinc/80/90/33/555809033.db2.gz	UGUUQAYFMJIYKS-MRXNPFEDSA-N	1	0	353.426	1.585	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@@]2(CO)CCOc3ccccc32)cc1	ZINC000619653858	555817567	/nfs/dbraw/zinc/81/75/67/555817567.db2.gz	KVZQQCPLLBEVHU-DYESRHJHSA-N	1	0	368.433	1.752	20	30		FDEDRO
N#Cc1nc(N2CCC(O)(C[NH+]3CCOCC3)CC2)ccc1C(F)(F)F	ZINC000619697668	555822620	/nfs/dbraw/zinc/82/26/20/555822620.db2.gz	MZSCXUNENARGML-UHFFFAOYSA-N	1	0	370.375	1.636	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2c(C)cc(C)nc2OC)CC1	ZINC000621760145	556150406	/nfs/dbraw/zinc/15/04/06/556150406.db2.gz	FUOGIVIWLOVSON-UHFFFAOYSA-N	1	0	374.485	1.432	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1	ZINC000624201142	556552891	/nfs/dbraw/zinc/55/28/91/556552891.db2.gz	ZMQIGDKXZJSHFJ-UHFFFAOYSA-N	1	0	352.523	1.685	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CCN1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000625045547	556698698	/nfs/dbraw/zinc/69/86/98/556698698.db2.gz	NLHXGDYKIBPCTL-KRWDZBQOSA-N	1	0	367.449	1.083	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1	ZINC000625746753	556916892	/nfs/dbraw/zinc/91/68/92/556916892.db2.gz	LTDKIPHBDAWIAK-UHFFFAOYSA-N	1	0	351.491	1.562	20	30		FDEDRO
C=CCn1c(Cc2cc(C)[nH]n2)nnc1N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000634336335	558451142	/nfs/dbraw/zinc/45/11/42/558451142.db2.gz	HPBWIHSLIDEKEA-KRWDZBQOSA-N	1	0	373.505	1.633	20	30		FDEDRO
Cn1cc(C[NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)cc1C#N	ZINC000284515821	571336489	/nfs/dbraw/zinc/33/64/89/571336489.db2.gz	LKZKISQGJNMONC-VQIMIIECSA-N	1	0	352.442	1.615	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)ccc1F	ZINC000272648047	674463932	/nfs/dbraw/zinc/46/39/32/674463932.db2.gz	YPXMWTVDKWTZND-NEPJUHHUSA-N	1	0	355.435	1.112	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1	ZINC000272879892	674484377	/nfs/dbraw/zinc/48/43/77/674484377.db2.gz	QKHIXYHTKDEQMR-AWEZNQCLSA-N	1	0	356.463	1.914	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@]2(C)CCC[NH2+]C2)cc1	ZINC000272950800	674491482	/nfs/dbraw/zinc/49/14/82/674491482.db2.gz	DLVMBPUUKZYRIJ-QGZVFWFLSA-N	1	0	351.472	1.270	20	30		FDEDRO
CCN(CC)S(=O)(=O)c1ccc(CCNC(=[NH2+])N(C)C2CC2)s1	ZINC000273314470	674526997	/nfs/dbraw/zinc/52/69/97/674526997.db2.gz	CYHYYAIWVGFTHB-UHFFFAOYSA-N	1	0	358.533	1.730	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1	ZINC000273379146	674531984	/nfs/dbraw/zinc/53/19/84/674531984.db2.gz	DPCZQRBDNTWOED-OAHLLOKOSA-N	1	0	363.483	1.227	20	30		FDEDRO
c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(=NNC2CCOCC2)CC1	ZINC000823742290	606861713	/nfs/dbraw/zinc/86/17/13/606861713.db2.gz	CIEAPGDPAKNLSQ-UHFFFAOYSA-N	1	0	355.446	1.587	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[nH]n1)OCC	ZINC000823873030	608022422	/nfs/dbraw/zinc/02/24/22/608022422.db2.gz	GUPCGJLLWPQOJU-GFCCVEGCSA-N	1	0	362.438	1.052	20	30		FDEDRO
CC(C)[N@H+](CCC(=O)N(C)CCC#N)Cc1ccc(-c2nn[nH]n2)cc1	ZINC000824289144	608204066	/nfs/dbraw/zinc/20/40/66/608204066.db2.gz	VUUKFRJNRMSDQB-UHFFFAOYSA-N	1	0	355.446	1.839	20	30		FDEDRO
C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(-c2nn[nH]n2)cc1F	ZINC000824598363	609340820	/nfs/dbraw/zinc/34/08/20/609340820.db2.gz	FEPHSBDKSMPNQR-JMNMEQFQSA-N	1	0	371.376	1.183	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)CC1(O)CCOCC1)C(C)C	ZINC000275636182	674627187	/nfs/dbraw/zinc/62/71/87/674627187.db2.gz	MPMJUQHMPHZZSX-QGZVFWFLSA-N	1	0	353.507	1.868	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2ccc(F)c(F)c2)CC1	ZINC000286438705	675895511	/nfs/dbraw/zinc/89/55/11/675895511.db2.gz	XUSYMJYGAXXKJI-UHFFFAOYSA-N	1	0	351.397	1.390	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cccnc2C#N)[C@@H](C)C1	ZINC000277061178	674847798	/nfs/dbraw/zinc/84/77/98/674847798.db2.gz	RGDLBSNFTCINAE-GJZGRUSLSA-N	1	0	366.487	1.369	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1	ZINC000277269760	674903521	/nfs/dbraw/zinc/90/35/21/674903521.db2.gz	MHRWRNPJSDYCAA-INIZCTEOSA-N	1	0	363.483	1.154	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NC[C@@H](CO)Cc1ccccc1Br	ZINC000277514523	674958493	/nfs/dbraw/zinc/95/84/93/674958493.db2.gz	WMSDQLZFJUYXHM-RYUDHWBXSA-N	1	0	358.280	1.539	20	30		FDEDRO
Cc1cc(S(=O)(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)ccc1C#N	ZINC000277819464	675047014	/nfs/dbraw/zinc/04/70/14/675047014.db2.gz	ISTQJAJKQCIRQB-OAHLLOKOSA-N	1	0	365.499	1.580	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(Cl)cc2C#N)CCCO1	ZINC000277825933	675048237	/nfs/dbraw/zinc/04/82/37/675048237.db2.gz	LFWXQYVYDCVCIH-CYBMUJFWSA-N	1	0	371.890	1.991	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1	ZINC000277837107	675050450	/nfs/dbraw/zinc/05/04/50/675050450.db2.gz	RZIGWTGFRBNZPT-SQWLQELKSA-N	1	0	358.360	1.933	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)c(Br)c3)C[C@@H]2C1	ZINC000278620628	675162477	/nfs/dbraw/zinc/16/24/77/675162477.db2.gz	CBUCKCUHHBIRSB-TXEJJXNPSA-N	1	0	370.272	1.503	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(C[NH2+]CCNS(=O)(=O)c2cccnc2)cc1	ZINC000120552166	671692110	/nfs/dbraw/zinc/69/21/10/671692110.db2.gz	WYAYBPOWTVVBQP-AWEZNQCLSA-N	1	0	360.439	1.441	20	30		FDEDRO
[NH2+]=C(NCCNS(=O)(=O)c1ccc(Cl)s1)NCC1CCC1	ZINC000130679404	671796673	/nfs/dbraw/zinc/79/66/73/671796673.db2.gz	DRTLDJZGVNGJAN-UHFFFAOYSA-N	1	0	350.897	1.384	20	30		FDEDRO
C#CCOc1ccc(Br)cc1CNC[C@](C)(O)C[NH+](C)C	ZINC000131462810	671804239	/nfs/dbraw/zinc/80/42/39/671804239.db2.gz	BLIJYXABIHWPHK-INIZCTEOSA-N	1	0	355.276	1.863	20	30		FDEDRO
CC(C)CCOCCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000133902844	671824291	/nfs/dbraw/zinc/82/42/91/671824291.db2.gz	UGFAXGXQKAZZLK-OAHLLOKOSA-N	1	0	354.495	1.930	20	30		FDEDRO
CCc1cccc(CC)c1NC(=[NH2+])NC[C@H]1CCCN1S(C)(=O)=O	ZINC000133921451	671824371	/nfs/dbraw/zinc/82/43/71/671824371.db2.gz	MCAAMQCBNZPJLX-OAHLLOKOSA-N	1	0	352.504	1.962	20	30		FDEDRO
C#CCN1CCN(C(=O)CN(C)[C@H]2CCCc3nc(CC)sc32)CC1	ZINC000152709293	671888766	/nfs/dbraw/zinc/88/87/66/671888766.db2.gz	LQGAJBRXIPNELH-INIZCTEOSA-N	1	0	360.527	1.792	20	30		FDEDRO
C[NH+](C)C[C@@H](NC(=O)NCCn1cnc(C#N)n1)c1ccc(Cl)cc1	ZINC000288020139	675954856	/nfs/dbraw/zinc/95/48/56/675954856.db2.gz	YMUYFOUWUOHXTK-CQSZACIVSA-N	1	0	361.837	1.405	20	30		FDEDRO
CC(C)OC(=O)CCCNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1	ZINC000154573598	671925199	/nfs/dbraw/zinc/92/51/99/671925199.db2.gz	KXNSJLUYUHLDJH-UHFFFAOYSA-N	1	0	350.438	1.994	20	30		FDEDRO
CS[C@H](C)CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000288122696	675962821	/nfs/dbraw/zinc/96/28/21/675962821.db2.gz	JKQCPLAGBFAUSI-CQSZACIVSA-N	1	0	362.499	1.316	20	30		FDEDRO
COc1cccc(NC(=[NH2+])NCCNS(=O)(=O)c2cccs2)c1	ZINC000160473890	672002251	/nfs/dbraw/zinc/00/22/51/672002251.db2.gz	AEAUTZDJBSQSKJ-UHFFFAOYSA-N	1	0	354.457	1.462	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1	ZINC000170918238	672048080	/nfs/dbraw/zinc/04/80/80/672048080.db2.gz	RUKMNWPJWISLIX-LSDHHAIUSA-N	1	0	352.479	1.936	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1	ZINC000185201639	672257460	/nfs/dbraw/zinc/25/74/60/672257460.db2.gz	ZFCWQKUHDWBLDG-KBXCAEBGSA-N	1	0	352.479	1.934	20	30		FDEDRO
CC(C)[NH+]=C(NCC(=O)N(C)C)NC[C@@H]1COC2(CCC(C)CC2)O1	ZINC000185365316	672259168	/nfs/dbraw/zinc/25/91/68/672259168.db2.gz	LAGSURWWORAHEK-SWKXRBFHSA-N	1	0	354.495	1.340	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@@H](c1ccccc1)C(F)(F)F	ZINC000185953892	672265777	/nfs/dbraw/zinc/26/57/77/672265777.db2.gz	GIBRKJIHDCZTQC-HNNXBMFYSA-N	1	0	358.408	1.830	20	30		FDEDRO
CS(=O)(=O)N1CC(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1	ZINC000186886250	672276777	/nfs/dbraw/zinc/27/67/77/672276777.db2.gz	VTIWBBIANMLXEA-UHFFFAOYSA-N	1	0	366.365	1.203	20	30		FDEDRO
CCS(=O)(=O)N1CCC([NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CC1	ZINC000237031019	672420096	/nfs/dbraw/zinc/42/00/96/672420096.db2.gz	IIEZWEFIWNIXIG-AWEZNQCLSA-N	1	0	351.472	1.881	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCC2([NH3+])CCCCCC2)c1	ZINC000237841561	672428879	/nfs/dbraw/zinc/42/88/79/672428879.db2.gz	HXKGLCJHGZZQDO-UHFFFAOYSA-N	1	0	365.499	1.932	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1	ZINC000245202502	672439240	/nfs/dbraw/zinc/43/92/40/672439240.db2.gz	ZKPYLDDATLNTTN-GJZGRUSLSA-N	1	0	352.479	1.841	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCC[NH2+]2)c1	ZINC000255390832	672617677	/nfs/dbraw/zinc/61/76/77/672617677.db2.gz	RAHHRFYIRJWVJJ-SQQITKIUSA-N	1	0	350.444	1.190	20	30		FDEDRO
C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N(C)Cc1ccccc1	ZINC000261624531	672638234	/nfs/dbraw/zinc/63/82/34/672638234.db2.gz	ILYPWUCWNVKGMX-UHFFFAOYSA-N	1	0	352.504	1.365	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N1CCO[C@@H](COC)C1	ZINC000261642493	672641770	/nfs/dbraw/zinc/64/17/70/672641770.db2.gz	AKVAXVCBOLIUDP-TWMKSMIVSA-N	1	0	351.491	1.647	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C)C[C@H]2C[NH3+])cc1	ZINC000261678198	672648963	/nfs/dbraw/zinc/64/89/63/672648963.db2.gz	DCUIGJCLIAAWTN-ZFWWWQNUSA-N	1	0	351.472	1.350	20	30		FDEDRO
C[NH+]=C(NCCc1cccs1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1	ZINC000261809727	672675624	/nfs/dbraw/zinc/67/56/24/672675624.db2.gz	SJIWCBFCSIWEIJ-QGZVFWFLSA-N	1	0	363.487	1.176	20	30		FDEDRO
C[NH+]=C(NCc1nnc(C)n1C)N[C@@H]1CCN(c2ncccc2Cl)C1	ZINC000261820086	672677453	/nfs/dbraw/zinc/67/74/53/672677453.db2.gz	UKLKDKOVYJAGBF-GFCCVEGCSA-N	1	0	362.869	1.116	20	30		FDEDRO
CC[NH+]=C(NC[C@@]1(C)CCOC1)N1CCN(c2nc(CC)ns2)CC1	ZINC000261836220	672680650	/nfs/dbraw/zinc/68/06/50/672680650.db2.gz	WBYDDKBTDZBKOW-QGZVFWFLSA-N	1	0	366.535	1.615	20	30		FDEDRO
CCc1nsc(N2CCN(C(NCc3scnc3C)=[NH+]C)CC2)n1	ZINC000261851291	672682928	/nfs/dbraw/zinc/68/29/28/672682928.db2.gz	YAIYJQKSPUTUDH-UHFFFAOYSA-N	1	0	365.532	1.763	20	30		FDEDRO
CC[NH+]=C(NCCc1cccc(F)c1F)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261942677	672698818	/nfs/dbraw/zinc/69/88/18/672698818.db2.gz	DVMOIFMGLILCFD-UHFFFAOYSA-N	1	0	373.469	1.982	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1C[C@@H](OCC)C12CCC2)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261950163	672700203	/nfs/dbraw/zinc/70/02/03/672700203.db2.gz	HCUIGQMXAHRFSU-HUUCEWRRSA-N	1	0	371.547	1.809	20	30		FDEDRO
C[NH+]=C(NC[C@]1(N(C)C)CCSC1)N1CCN(c2cccs2)CC1	ZINC000261969876	672704776	/nfs/dbraw/zinc/70/47/76/672704776.db2.gz	MNFMGNQONYNBHF-QGZVFWFLSA-N	1	0	367.588	1.883	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000262003491	672710295	/nfs/dbraw/zinc/71/02/95/672710295.db2.gz	UZARPVFEOVRPTB-ZNMIVQPWSA-N	1	0	371.547	1.665	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1C(F)(F)F	ZINC000262020986	672712992	/nfs/dbraw/zinc/71/29/92/672712992.db2.gz	IQUCHKIJCQGZAC-MRCXROJRSA-N	1	0	359.373	1.935	20	30		FDEDRO
C[NH+]=C(NC[C@H](c1cccs1)N(C)C)NC1CCN(C(C)=O)CC1	ZINC000262156078	672736983	/nfs/dbraw/zinc/73/69/83/672736983.db2.gz	AMJSZRKLNSVYEM-OAHLLOKOSA-N	1	0	351.520	1.527	20	30		FDEDRO
O=S1(=O)CC[C@H](C[NH+]=C(NCCc2ccccn2)N2CCCCC2)C1	ZINC000262207277	672746865	/nfs/dbraw/zinc/74/68/65/672746865.db2.gz	IGOWVKJLGOJNTH-MRXNPFEDSA-N	1	0	364.515	1.490	20	30		FDEDRO
CC[NH+]=C(NCCN1CCCS1(=O)=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	ZINC000262231492	672751417	/nfs/dbraw/zinc/75/14/17/672751417.db2.gz	MKFPHSKWMYRVNG-GVDBMIGSSA-N	1	0	370.563	1.936	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NC[C@@H]2COC3(CCOCC3)O2)cc1Cl	ZINC000262241788	672752966	/nfs/dbraw/zinc/75/29/66/672752966.db2.gz	YCWSJOWJHBRZST-GFCCVEGCSA-N	1	0	355.822	1.997	20	30		FDEDRO
CN(C)C(=O)CNC(=[NH+]C[C@@H]1CCOC1)N1CCC2(C1)CCCCC2	ZINC000262265803	672758342	/nfs/dbraw/zinc/75/83/42/672758342.db2.gz	FUARPIGWQHMDPV-INIZCTEOSA-N	1	0	350.507	1.713	20	30		FDEDRO
C[NH+]=C(N[C@@H]1C[C@](C)(OC)C1(C)C)N1CC[C@H](CN2CCOCC2)C1	ZINC000262364491	672776923	/nfs/dbraw/zinc/77/69/23/672776923.db2.gz	HKBRLEPCJJZEMG-MDZRGWNJSA-N	1	0	352.523	1.420	20	30		FDEDRO
CC(C)(C)c1nnc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)s1	ZINC000262375866	672779217	/nfs/dbraw/zinc/77/92/17/672779217.db2.gz	JMVAAZKWJBWWMU-UHFFFAOYSA-N	1	0	360.491	1.263	20	30		FDEDRO
CC(C)C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	ZINC000262389632	672781597	/nfs/dbraw/zinc/78/15/97/672781597.db2.gz	LXZVGULDSRXNLN-JONQDZQNSA-N	1	0	371.547	1.426	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(=[NH+]C2CC2)N2CCc3ccc(F)cc3C2)C1	ZINC000262401317	672783448	/nfs/dbraw/zinc/78/34/48/672783448.db2.gz	NUWYLOLKVXDCNJ-CYBMUJFWSA-N	1	0	365.474	1.727	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N[C@H]1CCc2ccccc2C1	ZINC000262403607	672783676	/nfs/dbraw/zinc/78/36/76/672783676.db2.gz	OCEQWISENVOPAR-QAPCUYQASA-N	1	0	363.527	1.922	20	30		FDEDRO
C[NH+]=C(NCc1ccc(Br)s1)NC[C@H](O)c1cnn(C)c1	ZINC000262441642	672790218	/nfs/dbraw/zinc/79/02/18/672790218.db2.gz	SWNMWASJTPCHIH-NSHDSACASA-N	1	0	372.292	1.643	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(=[NH+]C2CCOCC2)N2CC[C@@H](C3CC3)C2)C1	ZINC000262442598	672790604	/nfs/dbraw/zinc/79/06/04/672790604.db2.gz	UUDMCZPLISIYHC-GDBMZVCRSA-N	1	0	369.531	1.278	20	30		FDEDRO
CC1(C)CN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)CC[C@H]1O	ZINC000262451357	672791878	/nfs/dbraw/zinc/79/18/78/672791878.db2.gz	WCJMVHVKOAHQBV-GOEBONIOSA-N	1	0	371.547	1.402	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)C(C)(C)C)N[C@H]1CCc2ccccc2C1	ZINC000262455583	672792660	/nfs/dbraw/zinc/79/26/60/672792660.db2.gz	WSSSQGLZYCXHOQ-INIZCTEOSA-N	1	0	351.516	1.922	20	30		FDEDRO
COC[C@@H]1CCN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)C1	ZINC000262466374	672794460	/nfs/dbraw/zinc/79/44/60/672794460.db2.gz	YHYNXUOXGJFQKU-LSDHHAIUSA-N	1	0	357.520	1.278	20	30		FDEDRO
C[C@@H]1C[NH+]=C(NCCC(=O)N(C)Cc2ccccc2Br)N1	ZINC000262653196	672825786	/nfs/dbraw/zinc/82/57/86/672825786.db2.gz	KVKFMDAMFBLSGR-LLVKDONJSA-N	1	0	353.264	1.735	20	30		FDEDRO
CO[C@@H]1COCC[C@@H]1CNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1	ZINC000263168758	672865032	/nfs/dbraw/zinc/86/50/32/672865032.db2.gz	RPZVAFVXVGAEIV-RHSMWYFYSA-N	1	0	366.893	1.828	20	30		FDEDRO
CCCCNC(=[NH2+])NCc1ccccc1CS(=O)(=O)N1CCOCC1	ZINC000264128137	672901893	/nfs/dbraw/zinc/90/18/93/672901893.db2.gz	WXBUDEVLHXOTCQ-UHFFFAOYSA-N	1	0	368.503	1.053	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)N(C)C)o2)CC1	ZINC000264451385	672913868	/nfs/dbraw/zinc/91/38/68/672913868.db2.gz	CPVVVECQUHSXAD-UHFFFAOYSA-N	1	0	355.460	1.300	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1nc2cc(Cl)ccc2s1	ZINC000264980961	672927507	/nfs/dbraw/zinc/92/75/07/672927507.db2.gz	LETHEQYAZZKOGN-UHFFFAOYSA-N	1	0	367.906	1.947	20	30		FDEDRO
C#CCSCCNC(=O)NCc1ccncc1OCCC[NH+](C)C	ZINC000288952437	676076504	/nfs/dbraw/zinc/07/65/04/676076504.db2.gz	VXGZRJBATHVABX-UHFFFAOYSA-N	1	0	350.488	1.578	20	30		FDEDRO
CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)Cc2cccc(C#N)c2)CC1	ZINC000266188339	673076054	/nfs/dbraw/zinc/07/60/54/673076054.db2.gz	MKBXHGGQMKNIGF-MRXNPFEDSA-N	1	0	364.515	1.251	20	30		FDEDRO
C=CC[NH+]1CCC(Nc2ccc(S(=O)(=O)N3CCCC3)cn2)CC1	ZINC000266442519	673123435	/nfs/dbraw/zinc/12/34/35/673123435.db2.gz	WJGQDNLBERGCIQ-UHFFFAOYSA-N	1	0	350.488	1.928	20	30		FDEDRO
CCc1cccc(NC(=[NH2+])NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1	ZINC000267422317	673302355	/nfs/dbraw/zinc/30/23/55/673302355.db2.gz	KVQCYVGVLRGDOG-INIZCTEOSA-N	1	0	368.503	1.464	20	30		FDEDRO
[NH2+]=C(NCCCn1cc(CO)nn1)Nc1ccc(OC(F)(F)F)cc1	ZINC000290751549	676228988	/nfs/dbraw/zinc/22/89/88/676228988.db2.gz	YHZJZWIBGPAOTI-UHFFFAOYSA-N	1	0	358.324	1.486	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000283057682	675647828	/nfs/dbraw/zinc/64/78/28/675647828.db2.gz	STZMHEQHNUIGHV-DOTOQJQBSA-N	1	0	350.488	1.719	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2ccc(F)cc2F)CC1	ZINC000283633719	675659219	/nfs/dbraw/zinc/65/92/19/675659219.db2.gz	YFHCGVIZTOXUOF-LBPRGKRZSA-N	1	0	351.397	1.909	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CC[C@H](COC)C1)C(C)C	ZINC000283660182	675660005	/nfs/dbraw/zinc/66/00/05/675660005.db2.gz	BMFQEUXXLFJOCN-IRXDYDNUSA-N	1	0	351.491	1.296	20	30		FDEDRO
COc1ccccc1CNC(=[NH2+])NC[C@@H](N1CCOCC1)C(F)(F)F	ZINC000285207497	675802879	/nfs/dbraw/zinc/80/28/79/675802879.db2.gz	WKBALMHKPPCZSZ-CQSZACIVSA-N	1	0	360.380	1.363	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(S(=O)(=O)CC)cc1	ZINC000296796599	676420882	/nfs/dbraw/zinc/42/08/82/676420882.db2.gz	WLGYYILMYIKESB-UHFFFAOYSA-N	1	0	351.472	1.235	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1	ZINC000297777794	676429040	/nfs/dbraw/zinc/42/90/40/676429040.db2.gz	LWWFXAXHYOVUSQ-HZSPNIEDSA-N	1	0	364.471	1.929	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)CCN1CCCS1(=O)=O)C(C)C	ZINC000299152051	676519706	/nfs/dbraw/zinc/51/97/06/676519706.db2.gz	QREVPYLFUJCJBB-MRXNPFEDSA-N	1	0	357.520	1.227	20	30		FDEDRO
COc1ccc([C@@H](CNC(=[NH2+])N2CCSCC2)N(C)C)cc1OC	ZINC000303774888	676542813	/nfs/dbraw/zinc/54/28/13/676542813.db2.gz	GHTSITOCMARKSS-CQSZACIVSA-N	1	0	352.504	1.670	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NCc2ccccc2S(=O)(=O)N(C)C)cc1	ZINC000303782547	676542935	/nfs/dbraw/zinc/54/29/35/676542935.db2.gz	NJDNBFPCSAWPQQ-UHFFFAOYSA-N	1	0	362.455	1.872	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1cc(F)cc(Br)c1	ZINC000303863607	676543245	/nfs/dbraw/zinc/54/32/45/676543245.db2.gz	AGZPWXCTUNJOLU-UHFFFAOYSA-N	1	0	373.270	1.715	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(CCNC(=[NH2+])NC2CCCCC2)CC1	ZINC000303875380	676543502	/nfs/dbraw/zinc/54/35/02/676543502.db2.gz	HPJMNBHRHMZLSR-UHFFFAOYSA-N	1	0	353.511	1.776	20	30		FDEDRO
CC[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)Oc1ccccc1F	ZINC000304747807	676544256	/nfs/dbraw/zinc/54/42/56/676544256.db2.gz	VXIWECUGMUXLOB-HNNXBMFYSA-N	1	0	352.454	1.610	20	30		FDEDRO
CS(=O)(=O)[C@H]1CCCCN(C(=O)NCC2CC[NH+](C3CC3)CC2)C1	ZINC000328624657	676600246	/nfs/dbraw/zinc/60/02/46/676600246.db2.gz	ZTEJVZAMCNYAKT-INIZCTEOSA-N	1	0	357.520	1.674	20	30		FDEDRO
O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)N1CC[C@@](F)(CO)C1	ZINC000328695329	676602848	/nfs/dbraw/zinc/60/28/48/676602848.db2.gz	KLNAXYWBBFUUNV-SFHVURJKSA-N	1	0	357.470	1.589	20	30		FDEDRO
CS(=O)(=O)[C@@H]1CCCN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1	ZINC000328700579	676602978	/nfs/dbraw/zinc/60/29/78/676602978.db2.gz	ITIQMQWSHSGKMT-MRXNPFEDSA-N	1	0	357.520	1.674	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CCC(=O)NC12CCC2	ZINC000328709542	676603331	/nfs/dbraw/zinc/60/33/31/676603331.db2.gz	ALJSDSLYCJIICL-CABCVRRESA-N	1	0	351.495	1.558	20	30		FDEDRO
O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)C1CC[NH+](C2CC2)CC1	ZINC000328791626	676607241	/nfs/dbraw/zinc/60/72/41/676607241.db2.gz	ZKOMHRAIJAYIJJ-UHFFFAOYSA-N	1	0	355.504	1.774	20	30		FDEDRO
O=C(NC1CCC(F)(F)CC1)[C@H]1CC(=O)N(CCN2CCOCC2)C1	ZINC000328924155	676612266	/nfs/dbraw/zinc/61/22/66/676612266.db2.gz	VHIMLXXZKOTFBU-ZDUSSCGKSA-N	1	0	359.417	1.702	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O	ZINC000328968325	676614135	/nfs/dbraw/zinc/61/41/35/676614135.db2.gz	AHCXVNBZKXXRHO-IIZQIQNSSA-N	1	0	351.491	1.635	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)N2C[C@@H](OC)C[C@H]2C(=O)N2CCCC2)CC1	ZINC000328965703	676614216	/nfs/dbraw/zinc/61/42/16/676614216.db2.gz	MKVZBGMBDGMTCY-HOTGVXAUSA-N	1	0	352.479	1.096	20	30		FDEDRO
O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1	ZINC000329003871	676615887	/nfs/dbraw/zinc/61/58/87/676615887.db2.gz	WSPCEAJJZRLIKP-SJORKVTESA-N	1	0	350.484	1.942	20	30		FDEDRO
Cc1noc([C@@H]2CN(C(=O)NCC[N@H+]3CCC[C@@H](C)C3)CCN2C)n1	ZINC000329016142	676616342	/nfs/dbraw/zinc/61/63/42/676616342.db2.gz	GIFLBNUSHQZZEO-HIFRSBDPSA-N	1	0	350.467	1.312	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2OCCN(C(=O)CNC(=O)c3c(F)cccc3Cl)[C@H]2C1	ZINC000329022259	676616557	/nfs/dbraw/zinc/61/65/57/676616557.db2.gz	MLZKZYKNVIFVSD-KBPBESRZSA-N	1	0	369.824	1.715	20	30		FDEDRO
C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1C(=O)NCCN1CCSCC1	ZINC000329095876	676619744	/nfs/dbraw/zinc/61/97/44/676619744.db2.gz	XZJLEZZCTNACFO-VYDXJSESSA-N	1	0	357.520	1.201	20	30		FDEDRO
CN1CCO[C@H](CNC(=O)N[C@H]2CC(=O)N(c3ccccc3Cl)C2)C1	ZINC000329214601	676625737	/nfs/dbraw/zinc/62/57/37/676625737.db2.gz	LIBHFRHFUZRWFC-QWHCGFSZSA-N	1	0	366.849	1.280	20	30		FDEDRO
C[C@@H]1CN(C(C)(C)CNC(=O)[C@@H]2CC[C@H](C(=O)N(C)C)O2)C[C@H](C)O1	ZINC000329270524	676629773	/nfs/dbraw/zinc/62/97/73/676629773.db2.gz	IUKLGFYRNYCQFV-LJISPDSOSA-N	1	0	355.479	1.467	20	30		FDEDRO
CNS(=O)(=O)c1cc(NC(=O)CN2CCOCC3(CC3)C2)ccc1C	ZINC000329357865	676635030	/nfs/dbraw/zinc/63/50/30/676635030.db2.gz	BHFGKNAEDKYNLS-UHFFFAOYSA-N	1	0	367.471	1.604	20	30		FDEDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)C1CCN(C(=O)N2CCCC2)CC1	ZINC000329475582	676640265	/nfs/dbraw/zinc/64/02/65/676640265.db2.gz	NUAVSXCTTLTSPC-INIZCTEOSA-N	1	0	351.495	1.117	20	30		FDEDRO
CCC(=O)N1CSC[C@@H]1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000329574090	676644828	/nfs/dbraw/zinc/64/48/28/676644828.db2.gz	JOYKWKLYFLWNBO-DZGCQCFKSA-N	1	0	355.504	1.755	20	30		FDEDRO
C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000329582959	676645257	/nfs/dbraw/zinc/64/52/57/676645257.db2.gz	LOZNOAGOJBNOFD-IYPVNNRCSA-N	1	0	357.520	1.387	20	30		FDEDRO
C[C@H](NC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000329608035	676646051	/nfs/dbraw/zinc/64/60/51/676646051.db2.gz	MZADZRLKSUOPQX-TTZDDIAXSA-N	1	0	357.520	1.576	20	30		FDEDRO
O=S1(=O)CCN(C([O-])=[NH+][C@@H]2CCc3nc[nH]c3C2)[C@@H]2CCCC[C@@H]21	ZINC000329686622	676649433	/nfs/dbraw/zinc/64/94/33/676649433.db2.gz	FSIYCRLQSYEDLR-DFBGVHRSSA-N	1	0	352.460	1.223	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)C[C@@H]1C	ZINC000329769294	676654474	/nfs/dbraw/zinc/65/44/74/676654474.db2.gz	FGIFIXYGAVMBQT-LJIGWXMPSA-N	1	0	357.520	1.342	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)NCc3sc(C)nc3C)C2)CC1	ZINC000329786766	676656226	/nfs/dbraw/zinc/65/62/26/676656226.db2.gz	YCCSGVRKXFPEBC-HNNXBMFYSA-N	1	0	351.520	1.886	20	30		FDEDRO
CC(C)CC[NH+]1CCC(CNC(=O)N[C@H]2CCCS(=O)(=O)C2)CC1	ZINC000329851428	676660696	/nfs/dbraw/zinc/66/06/96/676660696.db2.gz	QTPDEXUFYYFSKJ-INIZCTEOSA-N	1	0	359.536	1.825	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)Nc2cnn(CCN3CCOCC3)c2)CC1	ZINC000329987750	676667505	/nfs/dbraw/zinc/66/75/05/676667505.db2.gz	GLRVSXBDMSJIIM-UHFFFAOYSA-N	1	0	350.467	1.026	20	30		FDEDRO
C[C@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)C(=O)N1CCCC[C@@H]1C	ZINC000330040418	676670039	/nfs/dbraw/zinc/67/00/39/676670039.db2.gz	FSVOXPWNSXENOR-GRDNDAEWSA-N	1	0	356.536	1.717	20	30		FDEDRO
CC(C)(C)c1cn2c(n1)CC[C@H]([NH+]=C([O-])NC[C@H]1CCCS1(=O)=O)C2	ZINC000330093736	676672152	/nfs/dbraw/zinc/67/21/52/676672152.db2.gz	ZYQMOEVEJHEEDL-QWHCGFSZSA-N	1	0	368.503	1.576	20	30		FDEDRO
CC[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)C[C@H]1N1CCOCC1	ZINC000330241668	676680504	/nfs/dbraw/zinc/68/05/04/676680504.db2.gz	FVMBWVJGHNTACE-ZKXLYKBJSA-N	1	0	351.491	1.901	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)CC1	ZINC000330250607	676680946	/nfs/dbraw/zinc/68/09/46/676680946.db2.gz	NAUAXQHVVOFSCQ-YQQAZPJKSA-N	1	0	354.445	1.656	20	30		FDEDRO
CC1CC[NH+](C[C@H](O)CNC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)CC1	ZINC000330336951	676684805	/nfs/dbraw/zinc/68/48/05/676684805.db2.gz	SUMAJEXNYRCHFV-BFYDXBDKSA-N	1	0	350.463	1.547	20	30		FDEDRO
C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@@H](S(C)(=O)=O)C2)cc1F	ZINC000330381364	676687415	/nfs/dbraw/zinc/68/74/15/676687415.db2.gz	IGHPNHHJISVMKG-CQSZACIVSA-N	1	0	357.451	1.420	20	30		FDEDRO
CCS(=O)(=O)N(C)C1CC[NH+](CCCC2(C#N)CCOCC2)CC1	ZINC000330383541	676687610	/nfs/dbraw/zinc/68/76/10/676687610.db2.gz	JUHYALAFJDBODX-UHFFFAOYSA-N	1	0	357.520	1.833	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1	ZINC000330558475	676696699	/nfs/dbraw/zinc/69/66/99/676696699.db2.gz	ILZYICLTWMUWGW-LPHOPBHVSA-N	1	0	351.491	1.249	20	30		FDEDRO
CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1	ZINC000330771580	676703659	/nfs/dbraw/zinc/70/36/59/676703659.db2.gz	VNAKZXUHWZOWRJ-HZPDHXFCSA-N	1	0	374.551	1.426	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)CNC(=O)c2c(F)cccc2Cl)[C@H](C)C1	ZINC000331036168	676714625	/nfs/dbraw/zinc/71/46/25/676714625.db2.gz	BCPWLJWBPDQUBG-NEPJUHHUSA-N	1	0	371.840	1.697	20	30		FDEDRO
C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1nc(C(F)(F)F)n[nH]1	ZINC000331227245	676722810	/nfs/dbraw/zinc/72/28/10/676722810.db2.gz	DLKWUMODKFMSAJ-VIFPVBQESA-N	1	0	364.372	1.015	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCc2nc(C(F)(F)F)n[nH]2)CC[N@@H+]1CC(C)(C)O	ZINC000331241107	676723622	/nfs/dbraw/zinc/72/36/22/676723622.db2.gz	PUNSUTTWCPNDCN-SECBINFHSA-N	1	0	364.372	1.015	20	30		FDEDRO
CCOC(=O)c1cnc(NC(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)n1C	ZINC000331245787	676723781	/nfs/dbraw/zinc/72/37/81/676723781.db2.gz	SJPWTBMTLAQGOE-OLZOCXBDSA-N	1	0	351.451	1.947	20	30		FDEDRO
CCOC(=O)c1cnc(NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)n1C	ZINC000331247802	676723948	/nfs/dbraw/zinc/72/39/48/676723948.db2.gz	WHHCTPGTHGVJHX-GFCCVEGCSA-N	1	0	351.451	1.804	20	30		FDEDRO
C[C@H]1C[C@@H](N(C)C(=O)Nc2ccccc2S(=O)(=O)N(C)C)CC[N@@H+]1C	ZINC000331253260	676724175	/nfs/dbraw/zinc/72/41/75/676724175.db2.gz	REZMBJGVTOYRDP-KBPBESRZSA-N	1	0	368.503	1.897	20	30		FDEDRO
CS[C@H]1CN(CC(=O)NC2(C#N)CCCCC2)C[C@H]1[NH+]1CCCC1	ZINC000332866207	676756447	/nfs/dbraw/zinc/75/64/47/676756447.db2.gz	SOHPYTSJWGSBCO-CVEARBPZSA-N	1	0	350.532	1.841	20	30		FDEDRO
N#Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO	ZINC000360700928	676872818	/nfs/dbraw/zinc/87/28/18/676872818.db2.gz	VHEUVNKPDDDMDV-JKSUJKDBSA-N	1	0	367.446	1.307	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C	ZINC000363989867	676983585	/nfs/dbraw/zinc/98/35/85/676983585.db2.gz	ZUXAQXNGBLNPMX-XNRPHZJLSA-N	1	0	352.504	1.898	20	30		FDEDRO
C[C@@H]1CN(CC(=O)Nc2sccc2C#N)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000367029485	677480300	/nfs/dbraw/zinc/48/03/00/677480300.db2.gz	MFZCWKMQXIKOMW-ZBFHGGJFSA-N	1	0	361.515	1.516	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000367163235	677489773	/nfs/dbraw/zinc/48/97/73/677489773.db2.gz	AWRMRNIFYJWCMU-AEFFLSMTSA-N	1	0	364.515	1.967	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1	ZINC000367179970	677490215	/nfs/dbraw/zinc/49/02/15/677490215.db2.gz	QYMDTFLXHDGDQY-XIRDDKMYSA-N	1	0	365.503	1.485	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2CCS(C)(=O)=O)CC1	ZINC000368195953	677498740	/nfs/dbraw/zinc/49/87/40/677498740.db2.gz	YEGFWDLLYBTEEZ-MRXNPFEDSA-N	1	0	357.520	1.636	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1	ZINC000368992894	677502689	/nfs/dbraw/zinc/50/26/89/677502689.db2.gz	OUAOEGDAOQMCIF-HNNXBMFYSA-N	1	0	350.463	1.113	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccs2)CC1	ZINC000369757152	677514849	/nfs/dbraw/zinc/51/48/49/677514849.db2.gz	KEUUUPJJCUBCLA-MAUKXSAKSA-N	1	0	359.495	1.871	20	30		FDEDRO
CCCCCCCS(=O)(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1	ZINC000370173710	677549803	/nfs/dbraw/zinc/54/98/03/677549803.db2.gz	OKEQQWSKDDBPEI-UHFFFAOYSA-N	1	0	373.563	1.773	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)Cc1cccc(C#N)c1	ZINC000370846557	677619980	/nfs/dbraw/zinc/61/99/80/677619980.db2.gz	MYDTYOQSBNBBBA-SQNIBIBYSA-N	1	0	363.483	1.572	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1	ZINC000373893243	678068385	/nfs/dbraw/zinc/06/83/85/678068385.db2.gz	XCQOIYIGPTYWIU-MHORFTMASA-N	1	0	351.491	1.768	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(Cc2cnc(C)s2)C[C@H]1C	ZINC000375514186	678151711	/nfs/dbraw/zinc/15/17/11/678151711.db2.gz	NFFYJPWBFPKGNQ-IUODEOHRSA-N	1	0	365.503	1.263	20	30		FDEDRO
N#Cc1ccc(Cl)cc1NC(=O)CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC000375799011	678177088	/nfs/dbraw/zinc/17/70/88/678177088.db2.gz	XZGMIVSCAYTYEX-IRXDYDNUSA-N	1	0	362.861	1.681	20	30		FDEDRO
CC(C)[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)CC1	ZINC000378238949	678724333	/nfs/dbraw/zinc/72/43/33/678724333.db2.gz	ZVDPZXJQGVPUCV-KRWDZBQOSA-N	1	0	362.499	1.347	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000409494010	678851553	/nfs/dbraw/zinc/85/15/53/678851553.db2.gz	YIYRXKIEBVQXED-PMPSAXMXSA-N	1	0	356.536	1.955	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000409501262	678853442	/nfs/dbraw/zinc/85/34/42/678853442.db2.gz	LIOHCNKTANQJJV-WMZOPIPTSA-N	1	0	364.515	1.967	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000409501260	678853577	/nfs/dbraw/zinc/85/35/77/678853577.db2.gz	LIOHCNKTANQJJV-FUHWJXTLSA-N	1	0	364.515	1.967	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NCc1ccc(OCC[NH+](C)C)cc1	ZINC000409546464	678858234	/nfs/dbraw/zinc/85/82/34/678858234.db2.gz	DWUBXCVMIJBMSP-UHFFFAOYSA-N	1	0	354.476	1.197	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NCC1([NH+]2CCSCC2)CCCC1	ZINC000409568000	678861854	/nfs/dbraw/zinc/86/18/54/678861854.db2.gz	WIQGDBVDKAFMKT-UHFFFAOYSA-N	1	0	360.549	1.418	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc1	ZINC000424009145	680825665	/nfs/dbraw/zinc/82/56/65/680825665.db2.gz	HRDDPCDHNXZLKR-ZFWWWQNUSA-N	1	0	351.472	1.208	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000411961855	679136703	/nfs/dbraw/zinc/13/67/03/679136703.db2.gz	YHQVYOKCIACLPT-GFCCVEGCSA-N	1	0	360.483	1.847	20	30		FDEDRO
C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H]1CON(CC)C1=O	ZINC000412989889	679228936	/nfs/dbraw/zinc/22/89/36/679228936.db2.gz	OMZKFUQELKLDGA-AWEZNQCLSA-N	1	0	365.503	1.747	20	30		FDEDRO
C[NH+](C)CCOc1ccc(NS(=O)(=O)c2ccc(C#N)nc2)c(F)c1	ZINC000414469204	679353993	/nfs/dbraw/zinc/35/39/93/679353993.db2.gz	FQFLXRMSWIYRDS-UHFFFAOYSA-N	1	0	364.402	1.834	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1	ZINC000414889410	679372505	/nfs/dbraw/zinc/37/25/05/679372505.db2.gz	GKYXVXVGSQZIOS-UKRRQHHQSA-N	1	0	366.487	1.742	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H](C)C[NH2+]C)cc1	ZINC000414892581	679372816	/nfs/dbraw/zinc/37/28/16/679372816.db2.gz	JIPSYKJNCZHCDF-ZDUSSCGKSA-N	1	0	354.476	1.470	20	30		FDEDRO
C[NH2+][C@H]1CCN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C1	ZINC000414905517	679373639	/nfs/dbraw/zinc/37/36/39/679373639.db2.gz	AYKXYRRAPBYRNR-ZDUSSCGKSA-N	1	0	374.495	2.528	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)ccc1OC(F)(F)F	ZINC000415270937	679399420	/nfs/dbraw/zinc/39/94/20/679399420.db2.gz	NOFQZYRLNVOETQ-SNVBAGLBSA-N	1	0	356.304	1.345	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)cc1Br	ZINC000415319950	679407999	/nfs/dbraw/zinc/40/79/99/679407999.db2.gz	VBVFTBHGGNQIBL-NSHDSACASA-N	1	0	351.204	1.127	20	30		FDEDRO
CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000415426870	679428801	/nfs/dbraw/zinc/42/88/01/679428801.db2.gz	MLUPAUGAWOTYBW-NSHDSACASA-N	1	0	354.357	1.588	20	30		FDEDRO
CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000415446757	679432826	/nfs/dbraw/zinc/43/28/26/679432826.db2.gz	TXROCFDVYIKFLI-NSHDSACASA-N	1	0	358.320	1.495	20	30		FDEDRO
C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1	ZINC000415469555	679435584	/nfs/dbraw/zinc/43/55/84/679435584.db2.gz	XNVUYYIURRETOU-SMDDNHRTSA-N	1	0	358.833	2.517	20	30		FDEDRO
C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000415574844	679456117	/nfs/dbraw/zinc/45/61/17/679456117.db2.gz	WUHCVWIWGXBOQV-VHSXEESVSA-N	1	0	365.231	1.468	20	30		FDEDRO
CC(C)C[C@@H](C[NH3+])NC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1	ZINC000415591810	679460267	/nfs/dbraw/zinc/46/02/67/679460267.db2.gz	BCXQIXDOQBGSCU-OCCSQVGLSA-N	1	0	352.460	1.867	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C	ZINC000415622706	679467220	/nfs/dbraw/zinc/46/72/20/679467220.db2.gz	LMTDKGDLCRWEQZ-IPYPFGDCSA-N	1	0	360.483	1.991	20	30		FDEDRO
COC[C@@]1(CNC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CCC[NH2+]1	ZINC000415707983	679483252	/nfs/dbraw/zinc/48/32/52/679483252.db2.gz	NCLXXKVSFITXDX-KRWDZBQOSA-N	1	0	364.833	1.229	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1Cl	ZINC000415852388	679526529	/nfs/dbraw/zinc/52/65/29/679526529.db2.gz	JOFOVXYALZKABI-QWHCGFSZSA-N	1	0	360.845	1.998	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)N[C@@H](CC[NH3+])C(F)(F)F	ZINC000416025862	679545605	/nfs/dbraw/zinc/54/56/05/679545605.db2.gz	HNBVIMIOPXUFJC-ZDUSSCGKSA-N	1	0	360.336	1.985	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000416490216	679638187	/nfs/dbraw/zinc/63/81/87/679638187.db2.gz	UTEPRHQBBQJGRR-AEFFLSMTSA-N	1	0	362.499	1.120	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cccc(Br)c2C#N)C1	ZINC000416493218	679639098	/nfs/dbraw/zinc/63/90/98/679639098.db2.gz	DATZNKPUNYZBDH-JTQLQIEISA-N	1	0	358.261	1.551	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1	ZINC000418569106	680092184	/nfs/dbraw/zinc/09/21/84/680092184.db2.gz	PILPZUQYLCQAMM-DOMZBBRYSA-N	1	0	352.385	1.012	20	30		FDEDRO
C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCCSCc1ccccc1C#N	ZINC000418923860	680154437	/nfs/dbraw/zinc/15/44/37/680154437.db2.gz	OMTQYDRGUDUGPO-XJKSGUPXSA-N	1	0	360.483	1.164	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+])c1ccc(F)c(F)c1	ZINC000419676385	680316697	/nfs/dbraw/zinc/31/66/97/680316697.db2.gz	LTISDKLTFCRHTB-RCBQFDQVSA-N	1	0	351.397	1.942	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH2+]C)c1ccc(F)c(F)c1	ZINC000419679091	680318431	/nfs/dbraw/zinc/31/84/31/680318431.db2.gz	PFBLLSZQCOXFGF-CJNGLKHVSA-N	1	0	351.397	1.909	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)c1ccc(F)c(F)c1	ZINC000419683026	680319662	/nfs/dbraw/zinc/31/96/62/680319662.db2.gz	UUJZSHYOFBTDQM-MKBNYLNASA-N	1	0	351.397	1.894	20	30		FDEDRO
C=CCN(CC1CCCCC1)C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C	ZINC000420012113	680389387	/nfs/dbraw/zinc/38/93/87/680389387.db2.gz	AQEIHEXPJJSKFX-GDBMZVCRSA-N	1	0	351.491	1.811	20	30		FDEDRO
C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1	ZINC000420413494	680442509	/nfs/dbraw/zinc/44/25/09/680442509.db2.gz	CRWNVSGGEUNBKB-KOLCDFICSA-N	1	0	358.261	1.679	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2C#N)[C@@H](C)C[NH2+]1	ZINC000420419023	680443556	/nfs/dbraw/zinc/44/35/56/680443556.db2.gz	ITGHPHIXGCQFJU-ZJUUUORDSA-N	1	0	358.261	1.692	20	30		FDEDRO
C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000420421065	680444192	/nfs/dbraw/zinc/44/41/92/680444192.db2.gz	FKCBXAYKOJDBOP-NOZJJQNGSA-N	1	0	358.261	1.740	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCC2=CC[NH2+]CC2)cc1Br	ZINC000420440621	680452473	/nfs/dbraw/zinc/45/24/73/680452473.db2.gz	UODDLJSDYKYYCZ-UHFFFAOYSA-N	1	0	356.245	1.519	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N[C@H]1CC[C@@H](C[NH3+])C1	ZINC000420447894	680455808	/nfs/dbraw/zinc/45/58/08/680455808.db2.gz	DAUAXJOPGHCVIO-ZJUUUORDSA-N	1	0	358.261	1.726	20	30		FDEDRO
CC(C)(C)[C@@H](C[NH3+])NS(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000420450174	680457453	/nfs/dbraw/zinc/45/74/53/680457453.db2.gz	OUHOVNZIFVEXSX-GFCCVEGCSA-N	1	0	360.277	1.972	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1	ZINC000421097398	680599455	/nfs/dbraw/zinc/59/94/55/680599455.db2.gz	DBVQYQVABUNWSX-ZFWWWQNUSA-N	1	0	364.471	1.930	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)[C@@H]2C1	ZINC000425218659	680887549	/nfs/dbraw/zinc/88/75/49/680887549.db2.gz	ZBBFXDWMMBWAQD-SMDDNHRTSA-N	1	0	350.400	1.181	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1	ZINC000425859946	680936958	/nfs/dbraw/zinc/93/69/58/680936958.db2.gz	SFMKEVAMTMXATC-BQFCYCMXSA-N	1	0	350.507	1.387	20	30		FDEDRO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2CCO)CC1	ZINC000426195325	680951318	/nfs/dbraw/zinc/95/13/18/680951318.db2.gz	SMVPQLJHVGZJOT-CVEARBPZSA-N	1	0	362.499	1.304	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1	ZINC000435750024	681633417	/nfs/dbraw/zinc/63/34/17/681633417.db2.gz	MJQHOHFPOVRVCH-ULQDDVLXSA-N	1	0	353.488	1.488	20	30		FDEDRO
C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1	ZINC000437411239	681787063	/nfs/dbraw/zinc/78/70/63/681787063.db2.gz	MUMZZOCUXQIPQS-CQSZACIVSA-N	1	0	360.483	1.792	20	30		FDEDRO
CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000440055556	681964895	/nfs/dbraw/zinc/96/48/95/681964895.db2.gz	WDVIDCRLWLNZPN-UHFFFAOYSA-N	1	0	368.478	1.096	20	30		FDEDRO
C[C@@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)[C@H]1CCC[NH2+]C1	ZINC000440355969	681991092	/nfs/dbraw/zinc/99/10/92/681991092.db2.gz	NUXTYXIOLVLTRV-PWSUYJOCSA-N	1	0	372.288	1.987	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)NCC[C@H]2CCC[NH2+]2)c1	ZINC000440821629	682028166	/nfs/dbraw/zinc/02/81/66/682028166.db2.gz	AYTJYMGGSDKBHN-GFCCVEGCSA-N	1	0	358.261	1.741	20	30		FDEDRO
COC(=O)CC1([NH2+]Cc2ccc(C#N)c(OC)c2)CCS(=O)(=O)CC1	ZINC000443070031	682227003	/nfs/dbraw/zinc/22/70/03/682227003.db2.gz	LAGHMOPQNMGGJY-UHFFFAOYSA-N	1	0	366.439	1.167	20	30		FDEDRO
C[NH+](C)[C@]1(CNS(=O)(=O)c2cccc(Cl)c2C#N)CCSC1	ZINC000443368345	682288146	/nfs/dbraw/zinc/28/81/46/682288146.db2.gz	FMTCIFMLVYCTFG-AWEZNQCLSA-N	1	0	359.904	1.927	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H]1CS(N)(=O)=O)C(C)C	ZINC000443542707	682320163	/nfs/dbraw/zinc/32/01/63/682320163.db2.gz	NTZMWBOTURWCJF-JKSUJKDBSA-N	1	0	372.535	1.148	20	30		FDEDRO
Cc1nc(SCC(=O)NCC2(O)CC[NH+](C)CC2)c(C#N)c(C)c1C	ZINC000474966892	685549246	/nfs/dbraw/zinc/54/92/46/685549246.db2.gz	ACFOLEWCJKXLTA-UHFFFAOYSA-N	1	0	362.499	1.544	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1[N@H+](C)CCCC1(C)C	ZINC000447946250	682584113	/nfs/dbraw/zinc/58/41/13/682584113.db2.gz	UKTCBWWDUSXJNJ-MRXNPFEDSA-N	1	0	351.472	1.966	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1	ZINC000448975238	682654877	/nfs/dbraw/zinc/65/48/77/682654877.db2.gz	GMPZTEMGAWTUBW-DZGCQCFKSA-N	1	0	360.845	1.775	20	30		FDEDRO
CC1(C)CN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC[NH2+]1	ZINC000450081448	682733212	/nfs/dbraw/zinc/73/32/12/682733212.db2.gz	LZSNXXCBUCNBPK-ZDUSSCGKSA-N	1	0	360.845	1.775	20	30		FDEDRO
C[NH+](C)C[C@@H](O)COc1ccc(NS(=O)(=O)CC(C)(C)CC#N)cc1	ZINC000451227250	682845375	/nfs/dbraw/zinc/84/53/75/682845375.db2.gz	NRMMBNPIJUIKLY-OAHLLOKOSA-N	1	0	369.487	1.669	20	30		FDEDRO
COC[C@@]1(C(=O)OC)CC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1	ZINC000451332888	682863062	/nfs/dbraw/zinc/86/30/62/682863062.db2.gz	XFILWMQXPYKRAE-WMLDXEAASA-N	1	0	351.447	1.229	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+]CCCS(=O)(=O)c1ccc(NC(C)=O)cc1	ZINC000451609275	682905636	/nfs/dbraw/zinc/90/56/36/682905636.db2.gz	VLVDQOAOPYTZGW-SJORKVTESA-N	1	0	352.456	1.742	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1)[NH+]1CCC(C)CC1	ZINC000453636486	683172645	/nfs/dbraw/zinc/17/26/45/683172645.db2.gz	LFQDKPCBRSYFPC-LBPRGKRZSA-N	1	0	363.849	1.782	20	30		FDEDRO
C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000453644092	683174813	/nfs/dbraw/zinc/17/48/13/683174813.db2.gz	QHFRIUGRCNEVBA-RYUDHWBXSA-N	1	0	363.849	1.924	20	30		FDEDRO
C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000453644093	683175069	/nfs/dbraw/zinc/17/50/69/683175069.db2.gz	QHFRIUGRCNEVBA-TXEJJXNPSA-N	1	0	363.849	1.924	20	30		FDEDRO
CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000453665943	683180354	/nfs/dbraw/zinc/18/03/54/683180354.db2.gz	KEZBKONVOHTCLC-ZDUSSCGKSA-N	1	0	363.849	1.878	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](CS(N)(=O)=O)C1	ZINC000475751376	685636053	/nfs/dbraw/zinc/63/60/53/685636053.db2.gz	TUVJRDVEKFEGGO-DOTOQJQBSA-N	1	0	368.499	1.155	20	30		FDEDRO
C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000453748113	683204340	/nfs/dbraw/zinc/20/43/40/683204340.db2.gz	JJXRQQJTAAPVOM-XHDPSFHLSA-N	1	0	361.833	1.630	20	30		FDEDRO
CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000453755787	683206421	/nfs/dbraw/zinc/20/64/21/683206421.db2.gz	GBTSSLGMOWXGBT-NSHDSACASA-N	1	0	351.838	1.782	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCC[N@H+]2CCCC2(C)C)c1	ZINC000457083815	683714193	/nfs/dbraw/zinc/71/41/93/683714193.db2.gz	XSWZIWKFWALTJK-UHFFFAOYSA-N	1	0	365.499	1.755	20	30		FDEDRO
CN(C)CC(C)(C)[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000459551598	684424344	/nfs/dbraw/zinc/42/43/44/684424344.db2.gz	SOJPLZSUJCRPGQ-OAHLLOKOSA-N	1	0	363.531	1.387	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1	ZINC000462326670	684629253	/nfs/dbraw/zinc/62/92/53/684629253.db2.gz	SZMBUJKNRFIFOT-HOCLYGCPSA-N	1	0	365.499	1.706	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H]([NH+](CC)CC)C2)c1	ZINC000462673819	684656860	/nfs/dbraw/zinc/65/68/60/684656860.db2.gz	GIWDHGVSLBOPLZ-MRXNPFEDSA-N	1	0	365.499	1.707	20	30		FDEDRO
C[C@@H](C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1)CS(C)(=O)=O	ZINC000466819055	684826768	/nfs/dbraw/zinc/82/67/68/684826768.db2.gz	IKHGPQXICHZASZ-AWEZNQCLSA-N	1	0	363.483	1.889	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCOC[C@@H]1C[C@H](C)O)C(C)C	ZINC000467807447	684877492	/nfs/dbraw/zinc/87/74/92/684877492.db2.gz	YEZLRXNZZDMZQP-OKZBNKHCSA-N	1	0	353.507	1.866	20	30		FDEDRO
CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)cc1	ZINC000469794682	684986613	/nfs/dbraw/zinc/98/66/13/684986613.db2.gz	URRWRCPDJWKKAE-STQMWFEESA-N	1	0	364.471	1.196	20	30		FDEDRO
C[C@@H](CO)[N@@H+]1CCCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1	ZINC000470053889	685001440	/nfs/dbraw/zinc/00/14/40/685001440.db2.gz	BLHWUFOWDRJUTM-KSSFIOAISA-N	1	0	353.463	1.163	20	30		FDEDRO
CC[NH+](CC)[C@H](C)CNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1	ZINC000471355300	685126216	/nfs/dbraw/zinc/12/62/16/685126216.db2.gz	OPMOXHZDMZBWAJ-CQSZACIVSA-N	1	0	366.487	1.025	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)CC1(C#N)CCCCC1	ZINC000476417448	685722571	/nfs/dbraw/zinc/72/25/71/685722571.db2.gz	JJQZXPBQEKNYGL-ZACQAIPSSA-N	1	0	369.531	1.974	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)C(=O)NC1CC[NH+](CCOC)CC1	ZINC000477700634	685872530	/nfs/dbraw/zinc/87/25/30/685872530.db2.gz	JVABKLMNMHEFQX-UHFFFAOYSA-N	1	0	365.499	1.490	20	30		FDEDRO
C[C@@H]1OCC[C@H]1[N@H+](CCO)CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000483282538	686484528	/nfs/dbraw/zinc/48/45/28/686484528.db2.gz	PGOHEBGFEAFVSD-SWLSCSKDSA-N	1	0	363.483	1.909	20	30		FDEDRO
COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(CC#N)cc2)C1	ZINC000487983041	687017980	/nfs/dbraw/zinc/01/79/80/687017980.db2.gz	UCKRRDSYBCAKQD-GOSISDBHSA-N	1	0	365.499	1.625	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)c1	ZINC000489349682	687093918	/nfs/dbraw/zinc/09/39/18/687093918.db2.gz	MGRPMWFXVIOFGQ-KRWDZBQOSA-N	1	0	365.499	1.563	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN([C@@H]2CC[NH2+]C2)CC1	ZINC000489909134	687121474	/nfs/dbraw/zinc/12/14/74/687121474.db2.gz	STDNMRHAYOXHSB-IAGOWNOFSA-N	1	0	362.543	1.631	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c1	ZINC000490645319	687148092	/nfs/dbraw/zinc/14/80/92/687148092.db2.gz	POZMYICMCYAFKN-SFHVURJKSA-N	1	0	363.483	1.319	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1	ZINC000496359124	687649087	/nfs/dbraw/zinc/64/90/87/687649087.db2.gz	KIDWPWVWTJVSIS-QGZVFWFLSA-N	1	0	351.491	1.609	20	30		FDEDRO
C[C@H](Sc1nnnn1C1CC1)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000499328884	687936547	/nfs/dbraw/zinc/93/65/47/687936547.db2.gz	OSQWVDMUWDNDIK-LBPRGKRZSA-N	1	0	351.480	1.183	20	30		FDEDRO
C[C@@H](Sc1nnnn1C1CC1)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000499328878	687936734	/nfs/dbraw/zinc/93/67/34/687936734.db2.gz	OSQWVDMUWDNDIK-GFCCVEGCSA-N	1	0	351.480	1.183	20	30		FDEDRO
CC[NH+](CC)CCN(C(=O)c1ccc(C#N)s1)[C@H]1CCS(=O)(=O)C1	ZINC000503498177	688361570	/nfs/dbraw/zinc/36/15/70/688361570.db2.gz	VYHZRENFLFCZSZ-ZDUSSCGKSA-N	1	0	369.512	1.591	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2ccc3c(c2)OCCO3)cc1	ZINC000516613411	689971539	/nfs/dbraw/zinc/97/15/39/689971539.db2.gz	LDCOLNBMCCZCMS-UHFFFAOYSA-N	1	0	358.419	1.893	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)nc1	ZINC000517230788	690047689	/nfs/dbraw/zinc/04/76/89/690047689.db2.gz	IGZBZDQHQSDQPT-GDBMZVCRSA-N	1	0	367.496	1.371	20	30		FDEDRO
CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000519062568	690182247	/nfs/dbraw/zinc/18/22/47/690182247.db2.gz	WKDYGVLGPDBYRG-CQSZACIVSA-N	1	0	366.487	1.339	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H]1COc2cc(F)c(Br)cc21	ZINC000519770343	690264305	/nfs/dbraw/zinc/26/43/05/690264305.db2.gz	UHDFQPSVRFGLPZ-YGRLFVJLSA-N	1	0	372.238	1.818	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)cnc1C(F)(F)F	ZINC000520836481	690360670	/nfs/dbraw/zinc/36/06/70/690360670.db2.gz	PLTFRBTYXNGPOX-OAHLLOKOSA-N	1	0	354.332	1.159	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)NCCCCN1CC[NH+](C)CC1	ZINC000524453101	694564548	/nfs/dbraw/zinc/56/45/48/694564548.db2.gz	LSLAZRHOLDUTPT-UHFFFAOYSA-N	1	0	350.488	1.173	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C23CCC3)cc1Br	ZINC000528049524	694697461	/nfs/dbraw/zinc/69/74/61/694697461.db2.gz	QCAJUJHKHHJWBL-ZDUSSCGKSA-N	1	0	370.272	1.884	20	30		FDEDRO
C[C@]1(CO)C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@]1(C)CO	ZINC000528753264	694746014	/nfs/dbraw/zinc/74/60/14/694746014.db2.gz	VXUAAXDGVXPHAR-HDICACEKSA-N	1	0	365.861	1.853	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@H+](CCN1CCOCC1)[C@@H]1CCSC1	ZINC000639770983	695495962	/nfs/dbraw/zinc/49/59/62/695495962.db2.gz	CSFIPAVHRKLCKR-QGZVFWFLSA-N	1	0	353.532	1.327	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1N1CCC([N@H+](C)CCCO)CC1	ZINC000641378854	696078050	/nfs/dbraw/zinc/07/80/50/696078050.db2.gz	CNENMMOTIHPDND-UHFFFAOYSA-N	1	0	367.515	1.434	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1NC[C@@H]1CCC[N@H+]1CCCO	ZINC000641615267	696170919	/nfs/dbraw/zinc/17/09/19/696170919.db2.gz	JXFIEFZIOVNIPZ-HNNXBMFYSA-N	1	0	353.488	1.410	20	30		FDEDRO
N#Cc1ccc(C(F)(F)N2CCCO[C@@]3(C[NH2+]CCOC3)C2)nc1Cl	ZINC001164421476	718912650	/nfs/dbraw/zinc/91/26/50/718912650.db2.gz	RDXXWQXGPCXRIO-HNNXBMFYSA-N	1	0	372.803	1.737	20	30		FDEDRO
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)[N@H+](C)C[C@@H]1C	ZINC001164631521	719238247	/nfs/dbraw/zinc/23/82/47/719238247.db2.gz	DUFINFCEHCDATH-MELADBBJSA-N	1	0	353.426	1.939	20	30		FDEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(c1nc3c(cc1C#N)CCC3)CC2	ZINC001164690055	719739982	/nfs/dbraw/zinc/73/99/82/719739982.db2.gz	RNQRPVBTEIRSSK-UHFFFAOYSA-N	1	0	353.470	1.623	20	30		FDEDRO
Cc1ncc(C#N)c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1	ZINC001164825104	720310142	/nfs/dbraw/zinc/31/01/42/720310142.db2.gz	SKAMUAXZPLNLGE-MSOLQXFVSA-N	1	0	368.485	1.568	20	30		FDEDRO
N#Cc1cc(Cl)nnc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164741729	720655420	/nfs/dbraw/zinc/65/54/20/720655420.db2.gz	MECXWFPKFJJKKQ-OLZOCXBDSA-N	1	0	357.805	1.134	20	30		FDEDRO
COc1cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)ncc1C#N	ZINC001164867932	721045462	/nfs/dbraw/zinc/04/54/62/721045462.db2.gz	LAFCSDFSKCPDFC-ROUUACIJSA-N	1	0	365.437	1.837	20	30		FDEDRO
N#Cc1cnc(Cl)nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164871457	721063313	/nfs/dbraw/zinc/06/33/13/721063313.db2.gz	YXRPKLHBRGHZFX-HOTGVXAUSA-N	1	0	370.844	1.876	20	30		FDEDRO
COc1ccnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1C#N	ZINC001164869104	721075236	/nfs/dbraw/zinc/07/52/36/721075236.db2.gz	RPRMSKQVDJRYCP-DLBZAZTESA-N	1	0	365.437	1.837	20	30		FDEDRO
Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc(Cl)c4C#N)C[C@@H]3C2)cn1	ZINC001164761604	721092421	/nfs/dbraw/zinc/09/24/21/721092421.db2.gz	CCWFKIZHCWMJEM-KGLIPLIRSA-N	1	0	357.849	1.693	20	30		FDEDRO
Cc1ncc(C#N)c(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1	ZINC001164888885	721402184	/nfs/dbraw/zinc/40/21/84/721402184.db2.gz	PBMIRTPRARESJA-UYAOXDASSA-N	1	0	370.501	1.422	20	30		FDEDRO
C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(Cl)ncc2C#N)CC3)CC1	ZINC001164794528	721509665	/nfs/dbraw/zinc/50/96/65/721509665.db2.gz	AJUYPRNTOXELPJ-UHFFFAOYSA-N	1	0	371.876	1.571	20	30		FDEDRO
Cc1ncc(C#N)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1	ZINC001164982498	722110143	/nfs/dbraw/zinc/11/01/43/722110143.db2.gz	WSIIGMGHTYHGSZ-IEBWSBKVSA-N	1	0	364.453	1.779	20	30		FDEDRO
Cc1nc(C#N)cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1	ZINC001165004485	722257894	/nfs/dbraw/zinc/25/78/94/722257894.db2.gz	SKRJEMLJCFNTGJ-UHFFFAOYSA-N	1	0	355.446	1.342	20	30		FDEDRO
C=CCCn1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)nn1	ZINC000657372875	782364579	/nfs/dbraw/zinc/36/45/79/782364579.db2.gz	ZNODTGYRKYLXBR-UYAOXDASSA-N	1	0	355.486	1.827	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(-c4cnn(C)c4)o3)[C@H]2C1	ZINC001083243670	782503897	/nfs/dbraw/zinc/50/38/97/782503897.db2.gz	ODHCMIVDWFONSU-MAUKXSAKSA-N	1	0	356.426	1.781	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)C[N@H+]4CC[C@H](C)C4)[C@@H]3C2)nc1	ZINC001022721723	782599287	/nfs/dbraw/zinc/59/92/87/782599287.db2.gz	SYQNIBVJNFHMEL-VDZJLULYSA-N	1	0	366.465	1.078	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(C(=O)CNc2ccc(C#N)cc2)CC1	ZINC000478458957	782711880	/nfs/dbraw/zinc/71/18/80/782711880.db2.gz	GSCNJYHSDVWIPN-UHFFFAOYSA-N	1	0	351.410	1.723	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)c(F)c1	ZINC001020422895	769407769	/nfs/dbraw/zinc/40/77/69/769407769.db2.gz	ITFOUFIAMSVWFD-BRFLTPSNSA-N	1	0	373.428	1.486	20	30		FDEDRO
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000654907754	769455951	/nfs/dbraw/zinc/45/59/51/769455951.db2.gz	VLDUWJCUWAEIIP-DLBZAZTESA-N	1	0	371.481	1.754	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnc3c(c1)nnn3C)C2	ZINC001112475648	769914202	/nfs/dbraw/zinc/91/42/02/769914202.db2.gz	QIYCGLFLCVJEEK-KXBFYZLASA-N	1	0	352.442	1.219	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccnc(-n4cccn4)c3)[C@H]2C1	ZINC001083188767	769987901	/nfs/dbraw/zinc/98/79/01/769987901.db2.gz	LCFKVHXFTHZMGJ-ZWKOTPCHSA-N	1	0	367.453	1.759	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(F)cc2F)C1	ZINC001022737506	782810004	/nfs/dbraw/zinc/81/00/04/782810004.db2.gz	BKVFEDAFROCVGE-ASZYTAPTSA-N	1	0	366.408	1.826	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+][C@@H]2CCCN(C)C2=O)c1	ZINC001087211103	782823709	/nfs/dbraw/zinc/82/37/09/782823709.db2.gz	RTJPTLUCMRKRRZ-AYOQOUSVSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]2C)c1	ZINC001020561347	770521228	/nfs/dbraw/zinc/52/12/28/770521228.db2.gz	RLURPVYQVRHDLJ-UDTPNQRGSA-N	1	0	368.481	1.512	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)Cn2cc(C)cn2)C[C@H]1c1ccccc1	ZINC001211545585	782853224	/nfs/dbraw/zinc/85/32/24/782853224.db2.gz	CIZZLLXPTFCJAL-VQTJNVASSA-N	1	0	368.481	1.978	20	30		FDEDRO
COc1ccc(CN2CC([C@H](C)NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C#N	ZINC000969703299	770701053	/nfs/dbraw/zinc/70/10/53/770701053.db2.gz	GNASNSZHPSUAOW-QMTMVMCOSA-N	1	0	370.497	1.844	20	30		FDEDRO
Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C1	ZINC001020604036	770978300	/nfs/dbraw/zinc/97/83/00/770978300.db2.gz	UDZJANXZDSBXTN-CZPYZCIJSA-N	1	0	355.467	1.894	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)CC1	ZINC000246093372	771077594	/nfs/dbraw/zinc/07/75/94/771077594.db2.gz	NYQKXWDZDGANIR-CMKODMSKSA-N	1	0	362.518	1.306	20	30		FDEDRO
C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC000969965063	771129479	/nfs/dbraw/zinc/12/94/79/771129479.db2.gz	HMYXHUCTNUEQHG-YUTCNCBUSA-N	1	0	350.381	1.735	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2OC)C1	ZINC000970014869	771202962	/nfs/dbraw/zinc/20/29/62/771202962.db2.gz	OYGASRPLMLLTQI-KURKYZTESA-N	1	0	355.438	1.848	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1	ZINC001020714979	771288850	/nfs/dbraw/zinc/28/88/50/771288850.db2.gz	DDPBYHXPPBJETM-DWRORGKVSA-N	1	0	359.470	1.493	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCC(=O)NC2=O)C1	ZINC001104231878	771432034	/nfs/dbraw/zinc/43/20/34/771432034.db2.gz	WKPYVPKBNBCJJJ-OIISXLGYSA-N	1	0	361.486	1.634	20	30		FDEDRO
Cc1scc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)c1C	ZINC001104234930	771451718	/nfs/dbraw/zinc/45/17/18/771451718.db2.gz	WIJMJAQVPGMCPD-IUODEOHRSA-N	1	0	362.499	1.693	20	30		FDEDRO
CCNC(=O)CO[C@@H]1CCCN(c2ncc3c(c2C#N)CCC[NH2+]C3)C1	ZINC001167148330	771539959	/nfs/dbraw/zinc/53/99/59/771539959.db2.gz	GNLSTDYSKSDVLA-OAHLLOKOSA-N	1	0	357.458	1.111	20	30		FDEDRO
N#Cc1nc(Cl)c(N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)nc1C#N	ZINC001167207598	771730230	/nfs/dbraw/zinc/73/02/30/771730230.db2.gz	CLFQECSOLQKRLG-ACJLOTCBSA-N	1	0	350.813	1.851	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1	ZINC000430390643	771742687	/nfs/dbraw/zinc/74/26/87/771742687.db2.gz	DSLUQFPAMQNNMC-SQNIBIBYSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1	ZINC000430395683	771764443	/nfs/dbraw/zinc/76/44/43/771764443.db2.gz	AVOUOEIHRNLLAG-FUHWJXTLSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]CCNC(=O)NC(C)C)CC1	ZINC001167277362	771855492	/nfs/dbraw/zinc/85/54/92/771855492.db2.gz	IALFUOIONHTISN-CVEARBPZSA-N	1	0	366.506	1.161	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]CCn2nc(C)nc2C)CC1	ZINC001167277372	771855661	/nfs/dbraw/zinc/85/56/61/771855661.db2.gz	IIQDSBQGLPQWOS-SJORKVTESA-N	1	0	361.490	1.362	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+][C@H](C)C(=O)N(CC)CC)CC1	ZINC001167277887	771856954	/nfs/dbraw/zinc/85/69/54/771856954.db2.gz	WSQXIARFEHPMKL-ZACQAIPSSA-N	1	0	365.518	1.711	20	30		FDEDRO
N#Cc1ccccc1N1CCC(NC(=O)N[C@H]2CC23CC[NH2+]CC3)CC1	ZINC000892266436	782986496	/nfs/dbraw/zinc/98/64/96/782986496.db2.gz	CMDGBZHBENPAGI-SFHVURJKSA-N	1	0	353.470	1.968	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2O)CC1	ZINC000970333469	772373879	/nfs/dbraw/zinc/37/38/79/772373879.db2.gz	DXOMTMJPKNAURH-SJORKVTESA-N	1	0	361.486	1.049	20	30		FDEDRO
CC(C)[N@H+]1CC(N=Nc2ccc(S(=O)(=O)NC3CC3)cn2)[C@@H](C)C1	ZINC000754259374	772507722	/nfs/dbraw/zinc/50/77/22/772507722.db2.gz	PVUMDXKSCDPIBC-LBPRGKRZSA-N	1	0	351.476	1.650	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1	ZINC000890989094	772666563	/nfs/dbraw/zinc/66/65/63/772666563.db2.gz	ICMBKMRCSVHEAP-HNNXBMFYSA-N	1	0	363.421	1.938	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2(CCOC)CC2)C[C@H]1C	ZINC001104275266	772728714	/nfs/dbraw/zinc/72/87/14/772728714.db2.gz	DUFBQBYWKZDPEV-HZPDHXFCSA-N	1	0	351.491	1.180	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ncn(C)c32)C[C@H]1C	ZINC001104282829	772778126	/nfs/dbraw/zinc/77/81/26/772778126.db2.gz	WWQMYCOUWMMGSH-ZIAGYGMSSA-N	1	0	357.458	1.938	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccnc(OC)n1	ZINC001087215944	783057385	/nfs/dbraw/zinc/05/73/85/783057385.db2.gz	ZVAOTXYKHKUIRS-SPUZQDLCSA-N	1	0	374.485	1.793	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1Cc3cncn3C(=O)N1)C2	ZINC001112488490	773185124	/nfs/dbraw/zinc/18/51/24/773185124.db2.gz	XOCSDCDWGWBDHW-KNBMTAEXSA-N	1	0	371.485	1.550	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cc(C)no2)C1=O	ZINC001087119860	773222352	/nfs/dbraw/zinc/22/23/52/773222352.db2.gz	UYESGBGPBSAKIK-VNQPRFMTSA-N	1	0	360.458	1.600	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1	ZINC001021415263	773256731	/nfs/dbraw/zinc/25/67/31/773256731.db2.gz	NHDPUOGHGWJSFQ-JKIFEVAISA-N	1	0	355.442	1.044	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](C(=O)NCC#C[C@H]2CCCCO2)[C@H](c2cnn(C)c2)C1	ZINC000891113087	773291028	/nfs/dbraw/zinc/29/10/28/773291028.db2.gz	SVRBPOLZXKBPIL-AABGKKOBSA-N	1	0	372.513	1.923	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)Cc2c(F)cccc2C#N)CC1	ZINC000511171579	783088647	/nfs/dbraw/zinc/08/86/47/783088647.db2.gz	BBBJKTWMTKEHMX-UHFFFAOYSA-N	1	0	360.433	1.252	20	30		FDEDRO
CN(C)C(=O)N1CCC(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1	ZINC000329085777	783125176	/nfs/dbraw/zinc/12/51/76/783125176.db2.gz	GNLOURWXDDEFES-UHFFFAOYSA-N	1	0	366.506	1.982	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)c2nnnn2C)C1	ZINC001104293907	773875872	/nfs/dbraw/zinc/87/58/72/773875872.db2.gz	LKQWXMDDQPWILO-OWCLPIDISA-N	1	0	371.489	1.647	20	30		FDEDRO
C=CCNC(=O)c1ccc(N(Cc2ccccc2)C2(C[NH3+])COC2)nc1	ZINC001167367856	773919069	/nfs/dbraw/zinc/91/90/69/773919069.db2.gz	GADQWHYBXLNNED-UHFFFAOYSA-N	1	0	352.438	1.732	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2COCCO2)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087125096	774024967	/nfs/dbraw/zinc/02/49/67/774024967.db2.gz	ARYKRIYVWRORBI-MNEFBYGVSA-N	1	0	357.454	1.690	20	30		FDEDRO
C=CC(C)(C)NC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C	ZINC000891270274	774273551	/nfs/dbraw/zinc/27/35/51/774273551.db2.gz	NXGZSWFQMUXGOV-UHFFFAOYSA-N	1	0	367.515	1.919	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1cn3cc(F)ccc3n1)C2	ZINC001112496402	774333471	/nfs/dbraw/zinc/33/34/71/774333471.db2.gz	VIUJWVYGCFXTSJ-YWZLYKJASA-N	1	0	354.429	1.867	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cc(C)n[nH]2)C1=O	ZINC001087128240	774363303	/nfs/dbraw/zinc/36/33/03/774363303.db2.gz	GENDTXYEIONYKQ-KBMXLJTQSA-N	1	0	359.474	1.335	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nonc2C)C1	ZINC001104306266	774442011	/nfs/dbraw/zinc/44/20/11/774442011.db2.gz	UMULTKPTEKVMOF-KYJSFNMBSA-N	1	0	359.474	1.050	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC1(C[NH2+]Cc2nnc(C)[nH]2)CC1	ZINC001167421956	774559409	/nfs/dbraw/zinc/55/94/09/774559409.db2.gz	DCFOBFALRZFKDD-RDJZCZTQSA-N	1	0	361.490	1.861	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1	ZINC001021708241	774730127	/nfs/dbraw/zinc/73/01/27/774730127.db2.gz	ZPUOJTXVYUROBO-VQTJNVASSA-N	1	0	365.477	1.366	20	30		FDEDRO
COC(=O)Cc1cccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1	ZINC000275955223	774764370	/nfs/dbraw/zinc/76/43/70/774764370.db2.gz	ZJWYTVCMEOAWNG-UHFFFAOYSA-N	1	0	374.441	1.035	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H](C[NH2+]C[C@@H]2CCc3ncnn32)C1	ZINC001087144135	775228717	/nfs/dbraw/zinc/22/87/17/775228717.db2.gz	ZLSUNXYKVLKPEP-KBMXLJTQSA-N	1	0	367.457	1.496	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c(C)nn(C)c1C)C2	ZINC001112501249	775308657	/nfs/dbraw/zinc/30/86/57/775308657.db2.gz	QNTZDMNBNRWMTB-PXNSSMCTSA-N	1	0	358.486	1.519	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1	ZINC001104329365	775329361	/nfs/dbraw/zinc/32/93/61/775329361.db2.gz	DQYBCOXBSGLDHM-ATZDWAIDSA-N	1	0	368.481	1.801	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)Cn3cncc3C)C[C@H]21	ZINC001021798384	775674365	/nfs/dbraw/zinc/67/43/65/775674365.db2.gz	LGGNRODYNHEDKA-MLHJIOFPSA-N	1	0	372.469	1.232	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2ccn(C)c2)C1=O	ZINC001087148754	775780508	/nfs/dbraw/zinc/78/05/08/775780508.db2.gz	HOJYUANJJASNKU-BPQIPLTHSA-N	1	0	358.486	1.642	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)COCc2cc(C)no2)C[C@H]1C	ZINC001104340637	775869736	/nfs/dbraw/zinc/86/97/36/775869736.db2.gz	PARGYBAJZQENHH-NVXWUHKLSA-N	1	0	363.458	1.224	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cc(C)ncn2)C1=O	ZINC001087151395	775997630	/nfs/dbraw/zinc/99/76/30/775997630.db2.gz	MJRJATNHASJMNF-PVAVHDDUSA-N	1	0	371.485	1.402	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(-n3cncn3)nc1)C2	ZINC001112503144	776061730	/nfs/dbraw/zinc/06/17/30/776061730.db2.gz	ALOKCVPEZWPKOU-LPHOPBHVSA-N	1	0	350.426	1.127	20	30		FDEDRO
CC#CCNC(=O)C(=O)Nc1ccc(OC)c(OCC[NH+](CC)CC)c1	ZINC000276176272	776468263	/nfs/dbraw/zinc/46/82/63/776468263.db2.gz	LPWGQVIATNULTC-UHFFFAOYSA-N	1	0	361.442	1.494	20	30		FDEDRO
C=CCn1cc(C(=O)N2CCO[C@@H]3C[N@H+](CC4=CCCCC4)C[C@@H]32)nn1	ZINC001083218027	776600444	/nfs/dbraw/zinc/60/04/44/776600444.db2.gz	YMXAXOHNNJRFKL-ZWKOTPCHSA-N	1	0	357.458	1.490	20	30		FDEDRO
C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C[C@H]1C	ZINC001104352414	776610026	/nfs/dbraw/zinc/61/00/26/776610026.db2.gz	UTSIVJYVCJXMRI-SYQHCUMBSA-N	1	0	350.381	1.593	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1	ZINC001075420168	776802486	/nfs/dbraw/zinc/80/24/86/776802486.db2.gz	RAXDIZNYKJCVFF-KBAYOESNSA-N	1	0	359.445	1.812	20	30		FDEDRO
C[C@@H]1CC[N@H+](CCNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000892713860	790486526	/nfs/dbraw/zinc/48/65/26/790486526.db2.gz	ZPJVOXSLJOOKIP-OAHLLOKOSA-N	1	0	356.474	1.563	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1nc3ccccn3c1=O)C2	ZINC001112505507	776986465	/nfs/dbraw/zinc/98/64/65/776986465.db2.gz	RXNQLDZQEPUVGZ-JXFKEZNVSA-N	1	0	369.469	1.290	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21	ZINC001022010192	777070090	/nfs/dbraw/zinc/07/00/90/777070090.db2.gz	KJQMTGIUUXYQQM-BMGDILEWSA-N	1	0	369.469	1.434	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CCO[C@@H]3C[N@@H+](CC4CC(C)C4)C[C@@H]32)nn1	ZINC001083220014	777276178	/nfs/dbraw/zinc/27/61/78/777276178.db2.gz	YTKMRQOFZNYJNQ-MUDYYLEHSA-N	1	0	359.474	1.426	20	30		FDEDRO
Cc1n[nH]nc1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#Cc2ccccc2)C1	ZINC001112506644	777848753	/nfs/dbraw/zinc/84/87/53/777848753.db2.gz	XHWVDERFHUGOBE-RXVVDRJESA-N	1	0	363.465	1.997	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCn2c(C)csc2=O)C1	ZINC001022101485	777926889	/nfs/dbraw/zinc/92/68/89/777926889.db2.gz	LJPMZUQOYWHIPI-QXSJWSMHSA-N	1	0	365.499	1.436	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3nccn3C2)C[C@H]1C	ZINC001104367513	777952040	/nfs/dbraw/zinc/95/20/40/777952040.db2.gz	WSUKLJHJKMYAFP-KURKYZTESA-N	1	0	358.486	1.170	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)c2cccnc2)C[C@H]1C	ZINC001104372168	778264773	/nfs/dbraw/zinc/26/47/73/778264773.db2.gz	QSEFIQTZIFUDMX-IAGOWNOFSA-N	1	0	370.497	1.183	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cnn(CCF)c2)C[C@H]1C	ZINC001104373315	778292022	/nfs/dbraw/zinc/29/20/22/778292022.db2.gz	ISCKGUUHAKXNLX-HZPDHXFCSA-N	1	0	352.454	1.743	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)C(=O)Nc2cccc(NC(=O)C(C)C)c2)C1	ZINC000891606252	778492051	/nfs/dbraw/zinc/49/20/51/778492051.db2.gz	DLNFOSAEHUNDAU-QGZVFWFLSA-N	1	0	370.453	1.433	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCc2ccncc2)C[C@H]1C	ZINC001104374226	778572073	/nfs/dbraw/zinc/57/20/73/778572073.db2.gz	OMXDIGUFOHEYGC-SJLPKXTDSA-N	1	0	358.486	1.391	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2C[C@H]3CCN(C(=O)CC[NH+]4CCCCC4)C[C@H]32)c1	ZINC000971705587	778743075	/nfs/dbraw/zinc/74/30/75/778743075.db2.gz	HNYGJSJIMFCHCA-SJLPKXTDSA-N	1	0	369.469	1.435	20	30		FDEDRO
COC(=O)c1ccc(CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)o1	ZINC000276691273	778943704	/nfs/dbraw/zinc/94/37/04/778943704.db2.gz	VHRQZFLRPFDBCH-UHFFFAOYSA-N	1	0	366.418	1.434	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1	ZINC000891767978	779325856	/nfs/dbraw/zinc/32/58/56/779325856.db2.gz	TYDDURJHKSNYHN-DOTOQJQBSA-N	1	0	371.547	1.916	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)C[C@H]1CS(N)(=O)=O	ZINC000933698223	779431007	/nfs/dbraw/zinc/43/10/07/779431007.db2.gz	AVJZUNJKWCMDRM-YPMHNXCESA-N	1	0	357.863	1.599	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)C(=O)Nc2ccccc2)C[C@H]1C	ZINC001104384834	779730164	/nfs/dbraw/zinc/73/01/64/779730164.db2.gz	LPSSFMSQZMPXIT-IAGOWNOFSA-N	1	0	359.470	1.902	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@@]34CCC[C@H]3[NH2+]CC4)C2=O)cc1	ZINC000891851772	779754638	/nfs/dbraw/zinc/75/46/38/779754638.db2.gz	PGPDGYLQWQMKQS-SQGPQFPESA-N	1	0	367.453	1.243	20	30		FDEDRO
[NH2+]=C(NCCNC(=O)c1cccnc1)N1CCN(c2ccc(F)cc2)CC1	ZINC000261979177	779920472	/nfs/dbraw/zinc/92/04/72/779920472.db2.gz	HHFHZFHHJQUVPI-UHFFFAOYSA-N	1	0	370.432	1.087	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1[C@H](C)O)C(C)C	ZINC000668532201	779929606	/nfs/dbraw/zinc/92/96/06/779929606.db2.gz	XHSUMAZUNWDZFI-BBWFWOEESA-N	1	0	351.491	1.173	20	30		FDEDRO
CC[N@@H+]1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000276933402	780199674	/nfs/dbraw/zinc/19/96/74/780199674.db2.gz	TZFLMUNYNSAFBU-SFHVURJKSA-N	1	0	369.469	1.396	20	30		FDEDRO
N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccoc2)C[C@H]1c1ccccc1	ZINC001211527882	780267193	/nfs/dbraw/zinc/26/71/93/780267193.db2.gz	DBUIGLDNESUWBT-DLBZAZTESA-N	1	0	352.394	1.117	20	30		FDEDRO
C[N@H+]1CC=C(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000276974888	780381559	/nfs/dbraw/zinc/38/15/59/780381559.db2.gz	YPDCYPDPLYMQLW-GOSISDBHSA-N	1	0	367.453	1.220	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](CCO)C2CCCC2)CC1	ZINC000934009896	780608772	/nfs/dbraw/zinc/60/87/72/780608772.db2.gz	OTHJQPSFKFFROA-ZWKOTPCHSA-N	1	0	350.507	1.210	20	30		FDEDRO
C=CCC[C@@H](CO)NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1	ZINC000458315130	780944049	/nfs/dbraw/zinc/94/40/49/780944049.db2.gz	OOUCKGYYUGBRFY-SFHVURJKSA-N	1	0	361.486	1.770	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCn1ccccc1=O)C2	ZINC001112508800	781009594	/nfs/dbraw/zinc/00/95/94/781009594.db2.gz	WZJGFWUOVAECET-RXVVDRJESA-N	1	0	355.482	1.870	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)C(=O)NC(N)=O)C1	ZINC001112509083	781039371	/nfs/dbraw/zinc/03/93/71/781039371.db2.gz	JMTUAZRHWVDERW-VBHSOAQHSA-N	1	0	350.463	1.000	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)[N@H+](C)C1	ZINC000329017810	781140362	/nfs/dbraw/zinc/14/03/62/781140362.db2.gz	GVAVWQLSLVSXKL-PMPSAXMXSA-N	1	0	360.458	1.936	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CCS(=O)(=O)C2)C[C@H]1C	ZINC001104396713	781226610	/nfs/dbraw/zinc/22/66/10/781226610.db2.gz	ZSEKYZGDGWAQQC-BRWVUGGUSA-N	1	0	356.532	1.852	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(-c4ccncc4)c3)[C@H]2C1	ZINC001083235365	781324026	/nfs/dbraw/zinc/32/40/26/781324026.db2.gz	ZOWNSYBAHZKJRK-RBUKOAKNSA-N	1	0	367.453	1.759	20	30		FDEDRO
COc1ccc(OC)c(NC(=[NH2+])NCCNC(=O)Cc2cccc(F)c2)c1	ZINC000104183318	781543444	/nfs/dbraw/zinc/54/34/44/781543444.db2.gz	QOHGCHWIBLQHIB-UHFFFAOYSA-N	1	0	374.416	1.928	20	30		FDEDRO
C#Cc1cccc(NC(=S)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1	ZINC000728451735	781576675	/nfs/dbraw/zinc/57/66/75/781576675.db2.gz	RZZQNCFJQFSUGR-UHFFFAOYSA-N	1	0	356.495	1.605	20	30		FDEDRO
N#CCOc1cccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1	ZINC000277422115	781836049	/nfs/dbraw/zinc/83/60/49/781836049.db2.gz	FOLFORHBZSMURG-MRXNPFEDSA-N	1	0	356.426	1.661	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccnc1C)C2	ZINC001112518958	783747120	/nfs/dbraw/zinc/74/71/20/783747120.db2.gz	LBHJXRPRKPLHME-JXFKEZNVSA-N	1	0	356.470	1.524	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H]1CN(C(=O)NC2CCN(c3ccccc3C#N)CC2)CCO1	ZINC000892428766	783803357	/nfs/dbraw/zinc/80/33/57/783803357.db2.gz	KPBUOSBIQHWMSY-KDOFPFPSSA-N	1	0	357.458	1.285	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C3(C4CC4)CC3)C[C@H]21	ZINC000972834925	783901914	/nfs/dbraw/zinc/90/19/14/783901914.db2.gz	JBBLYXPNPDQSNU-BPQIPLTHSA-N	1	0	355.482	1.334	20	30		FDEDRO
NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#Cc2cccc(Cl)c2)C1	ZINC001112520223	783962606	/nfs/dbraw/zinc/96/26/06/783962606.db2.gz	UTDULWIITCYGNC-KXBFYZLASA-N	1	0	359.857	1.395	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001024158073	784034757	/nfs/dbraw/zinc/03/47/57/784034757.db2.gz	KBQFPGOYCBCUIB-LZQZEXGQSA-N	1	0	368.481	1.611	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ccn(C)c(=O)c2)C1	ZINC001024165772	784174776	/nfs/dbraw/zinc/17/47/76/784174776.db2.gz	WMIGNEMWXKIUHM-KURKYZTESA-N	1	0	359.470	1.305	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)NCC(=O)NCC#N	ZINC000377048604	791006943	/nfs/dbraw/zinc/00/69/43/791006943.db2.gz	UJPHJFBQTBPPOR-RDJZCZTQSA-N	1	0	357.458	1.178	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1	ZINC000658554305	784297544	/nfs/dbraw/zinc/29/75/44/784297544.db2.gz	FFIKIDUQRKQLJF-ROUUACIJSA-N	1	0	362.518	1.040	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CCN1Cc1ccccc1	ZINC000892443773	784308976	/nfs/dbraw/zinc/30/89/76/784308976.db2.gz	GBIYLDGKJUSRPO-BHIYHBOVSA-N	1	0	355.486	1.923	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3OC)CC2)C1	ZINC000658620600	784689942	/nfs/dbraw/zinc/68/99/42/784689942.db2.gz	SBXWQVWNYLUSCE-MRXNPFEDSA-N	1	0	372.469	1.554	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1OC	ZINC000375808870	784959383	/nfs/dbraw/zinc/95/93/83/784959383.db2.gz	DLUKWIMZYGVVBJ-SJORKVTESA-N	1	0	360.454	1.931	20	30		FDEDRO
CC1(C)C[NH2+]CC[C@H](NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000892482724	785130092	/nfs/dbraw/zinc/13/00/92/785130092.db2.gz	HHOUNYHMIWJWRU-JKSUJKDBSA-N	1	0	357.458	1.894	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(OC)c(OCC)c3)[C@H]2C1	ZINC001083268754	785358147	/nfs/dbraw/zinc/35/81/47/785358147.db2.gz	RTEATULGQXNVNQ-QFBILLFUSA-N	1	0	358.438	1.642	20	30		FDEDRO
Cc1cc(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)nn1-c1cccc(C#N)c1	ZINC000413823138	785474635	/nfs/dbraw/zinc/47/46/35/785474635.db2.gz	VDILJXSFTSUTMZ-QGZVFWFLSA-N	1	0	367.453	1.629	20	30		FDEDRO
O=C(c1cnccn1)N1CC[C@H]2CN(CC#Cc3ccc(F)cc3)C[C@H]21	ZINC001075504196	785703142	/nfs/dbraw/zinc/70/31/42/785703142.db2.gz	YKNJIAYSNWBEIG-QFBILLFUSA-N	1	0	350.397	1.814	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000376102634	785887991	/nfs/dbraw/zinc/88/79/91/785887991.db2.gz	IZHCFMBQOJAYBF-DLBZAZTESA-N	1	0	374.460	1.751	20	30		FDEDRO
N#CC[C@@H]1C[C@H]2[C@H](CCC[C@@H]2[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)O1	ZINC000376169407	786591304	/nfs/dbraw/zinc/59/13/04/786591304.db2.gz	ZBOSIFUTMVLEMW-BDXSIMOUSA-N	1	0	370.453	1.231	20	30		FDEDRO
C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]21	ZINC000978727163	805715437	/nfs/dbraw/zinc/71/54/37/805715437.db2.gz	HJNONQHHMFASEF-SBUWESJJSA-N	1	0	369.465	1.808	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1c1ccccc1	ZINC001211639911	787197592	/nfs/dbraw/zinc/19/75/92/787197592.db2.gz	KMKJPSQCVGKIRC-ALGQRKQJSA-N	1	0	368.477	1.645	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCc2nncn2CC1	ZINC000888954513	805780267	/nfs/dbraw/zinc/78/02/67/805780267.db2.gz	PCZYESXICBKDSO-GOSISDBHSA-N	1	0	366.469	1.693	20	30		FDEDRO
C#CC[C@H](C)NC(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000376374371	787492758	/nfs/dbraw/zinc/49/27/58/787492758.db2.gz	FGBBADDIICKJHP-ICSRJNTNSA-N	1	0	354.498	2.000	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)[C@@H]2C1	ZINC000973029388	787529878	/nfs/dbraw/zinc/52/98/78/787529878.db2.gz	RZHRFJLHQACECV-BFYDXBDKSA-N	1	0	360.502	1.858	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H](NC(=O)c3ccc(F)cc3)[C@@H](O)C2)cc1F	ZINC001083310526	805796290	/nfs/dbraw/zinc/79/62/90/805796290.db2.gz	XZTMBBGEEAPXKC-MSOLQXFVSA-N	1	0	357.360	1.812	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(Cc3nccc(C)n3)C[C@H]21	ZINC000978826967	805802603	/nfs/dbraw/zinc/80/26/03/805802603.db2.gz	COLVISPHKJPMFR-CBNQQXHVSA-N	1	0	370.497	1.950	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21	ZINC000249258262	787647578	/nfs/dbraw/zinc/64/75/78/787647578.db2.gz	YSXZCXCTBNOYDJ-RDJZCZTQSA-N	1	0	355.438	1.580	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(Cc3nncs3)C[C@H]21	ZINC000978831112	805813276	/nfs/dbraw/zinc/81/32/76/805813276.db2.gz	LPYOBSONOFQBPN-JGFGOLAASA-N	1	0	362.499	1.703	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3nc(C)c(Cl)c3C)[C@H]2C1	ZINC001083277477	787759877	/nfs/dbraw/zinc/75/98/77/787759877.db2.gz	GBSJAAFEPZWKNN-LSDHHAIUSA-N	1	0	350.850	1.088	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cncc(OC)n2)C[C@H]1c1ccccc1	ZINC001211684368	805826411	/nfs/dbraw/zinc/82/64/11/805826411.db2.gz	UKDISMUUIQABPZ-FUHWJXTLSA-N	1	0	350.422	1.706	20	30		FDEDRO
CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC(=O)NCC#N	ZINC000376454402	787861583	/nfs/dbraw/zinc/86/15/83/787861583.db2.gz	KOZBTQHUIQGYOL-MRXNPFEDSA-N	1	0	357.458	1.226	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cnns1	ZINC001025111257	787959188	/nfs/dbraw/zinc/95/91/88/787959188.db2.gz	FVQHDWNMPIBIIX-KBMXLJTQSA-N	1	0	350.488	1.990	20	30		FDEDRO
Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NCCn2cnc(C#N)n2)c1	ZINC000376476252	787969630	/nfs/dbraw/zinc/96/96/30/787969630.db2.gz	YUZVVSKCFQKYHQ-KRWDZBQOSA-N	1	0	352.442	1.629	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1	ZINC000647557074	788038728	/nfs/dbraw/zinc/03/87/28/788038728.db2.gz	PWVHMYPDXZTVMR-UHFFFAOYSA-N	1	0	371.481	1.524	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1c1ccccc1	ZINC001211685977	805885913	/nfs/dbraw/zinc/88/59/13/805885913.db2.gz	OUZSNKKPOIDSBS-ZWKOTPCHSA-N	1	0	359.470	1.252	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000973334902	788685302	/nfs/dbraw/zinc/68/53/02/788685302.db2.gz	KVLPBEPABWWPIY-LWYYNNOASA-N	1	0	367.493	1.704	20	30		FDEDRO
CCCC(CCC)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104597652	788791847	/nfs/dbraw/zinc/79/18/47/788791847.db2.gz	IUKPOTBQSQQAAY-NVXWUHKLSA-N	1	0	350.507	1.917	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CCn2ccnc2)C[C@H]1c1ccccc1	ZINC001211645094	788824864	/nfs/dbraw/zinc/82/48/64/788824864.db2.gz	QGDXHJGPRHWOTD-VQTJNVASSA-N	1	0	366.465	1.507	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NCC)C1	ZINC001104607108	788848419	/nfs/dbraw/zinc/84/84/19/788848419.db2.gz	KFCURTJWQVYISA-HUUCEWRRSA-N	1	0	352.479	1.263	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1	ZINC001104607381	788850165	/nfs/dbraw/zinc/85/01/65/788850165.db2.gz	RGCLZMYZCVTKLI-IXDOHACOSA-N	1	0	356.532	1.852	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NCC)C1	ZINC001104631650	789059351	/nfs/dbraw/zinc/05/93/51/789059351.db2.gz	WAKNPTRZWUOKBW-CLCXKQKWSA-N	1	0	366.506	1.509	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)c1ccco1)C2	ZINC001112528983	805932403	/nfs/dbraw/zinc/93/24/03/805932403.db2.gz	ZAONSBGHTOLOBA-GUXCAODWSA-N	1	0	359.470	1.904	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2occc2CC)C[C@H]1C	ZINC001104636262	789073990	/nfs/dbraw/zinc/07/39/90/789073990.db2.gz	XGYVCRGIIBXPHB-HLLBOEOZSA-N	1	0	359.470	1.668	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)c(F)c1	ZINC000659595797	789262277	/nfs/dbraw/zinc/26/22/77/789262277.db2.gz	SKGIGWWTSSJKLN-YCPHGPKFSA-N	1	0	351.422	1.516	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)NC2CCN(C(=O)CCC[NH2+]C)CC2)C1	ZINC000659626540	789295065	/nfs/dbraw/zinc/29/50/65/789295065.db2.gz	KWQWASDAVCRSDC-MRXNPFEDSA-N	1	0	350.507	1.975	20	30		FDEDRO
C=CCCOCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C2	ZINC001112018011	789339297	/nfs/dbraw/zinc/33/92/97/789339297.db2.gz	XBPJSFPJXKIGCW-UWVAXJGDSA-N	1	0	365.518	1.805	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2Cc3ccncc3C2)C[C@H]1C	ZINC001104681544	789345685	/nfs/dbraw/zinc/34/56/85/789345685.db2.gz	KUBKBBXXCYXZJF-NXHRZFHOSA-N	1	0	370.497	1.173	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1C	ZINC001104689105	789418230	/nfs/dbraw/zinc/41/82/30/789418230.db2.gz	KEGBOJOMSAGGDW-ZIAGYGMSSA-N	1	0	355.429	1.245	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2nccn3ccnc23)C[C@H]1C	ZINC001104695979	789443576	/nfs/dbraw/zinc/44/35/76/789443576.db2.gz	VAJXQVBDRFJKPV-HZPDHXFCSA-N	1	0	357.458	1.620	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cncc(OC)n2)C1	ZINC001104699206	789519200	/nfs/dbraw/zinc/51/92/00/789519200.db2.gz	HAUVSWRGJWHRCO-AHCXZYCDSA-N	1	0	374.485	1.651	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccn(C)c(=O)c2)C1	ZINC001104699627	789519977	/nfs/dbraw/zinc/51/99/77/789519977.db2.gz	BSFVJROTSHMAPK-OWYHZJEWSA-N	1	0	373.497	1.551	20	30		FDEDRO
C=CCC[C@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)c1ccccc1	ZINC000659704920	789520100	/nfs/dbraw/zinc/52/01/00/789520100.db2.gz	QAIHDXPGZFIJCN-HNNXBMFYSA-N	1	0	369.425	1.081	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCCC(F)(F)F)C[C@H]1C	ZINC001104715846	789675225	/nfs/dbraw/zinc/67/52/25/789675225.db2.gz	GLAFGBALLUHWHR-ZIAGYGMSSA-N	1	0	361.408	1.543	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCC(F)(F)F)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104714485	789696833	/nfs/dbraw/zinc/69/68/33/789696833.db2.gz	TWQVZWPEFWGURS-CHWSQXEVSA-N	1	0	362.396	1.433	20	30		FDEDRO
C[C@@]1(C#N)CN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCO1	ZINC000892773180	791193573	/nfs/dbraw/zinc/19/35/73/791193573.db2.gz	XDIBCJQLGURZPH-AZUAARDMSA-N	1	0	356.470	1.875	20	30		FDEDRO
C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)C[C@H](C)O1	ZINC000290266463	791260920	/nfs/dbraw/zinc/26/09/20/791260920.db2.gz	OVXOPDHGWLYJEL-STQMWFEESA-N	1	0	362.405	1.251	20	30		FDEDRO
CCC1([NH3+])CCN(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1	ZINC000892917808	791679111	/nfs/dbraw/zinc/67/91/11/791679111.db2.gz	TVZGXZUGLWFTFO-UHFFFAOYSA-N	1	0	355.486	1.999	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2CC23CCN(c2nccnc2C#N)CC3)CC[N@@H+]1C	ZINC001058655681	791694334	/nfs/dbraw/zinc/69/43/34/791694334.db2.gz	HDHVUJATQJPSNM-IIAWOOMASA-N	1	0	354.458	1.164	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1	ZINC000783012904	791780206	/nfs/dbraw/zinc/78/02/06/791780206.db2.gz	JJNUCRXWXILCQA-UHFFFAOYSA-N	1	0	371.547	1.885	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)NCCC[NH2+]Cc2cccnc2)c1	ZINC000415308777	791908932	/nfs/dbraw/zinc/90/89/32/791908932.db2.gz	PUNCHZDVTSLVQA-UHFFFAOYSA-N	1	0	351.410	1.496	20	30		FDEDRO
N#Cc1cc(Oc2ccc(NC(=O)C(=O)N3CCC[NH2+]CC3)cc2)ccn1	ZINC000415310587	791912379	/nfs/dbraw/zinc/91/23/79/791912379.db2.gz	POQKNASJGPJMPJ-UHFFFAOYSA-N	1	0	365.393	1.506	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC2([NH3+])CCCCCC2)cc1	ZINC000415319715	791926787	/nfs/dbraw/zinc/92/67/87/791926787.db2.gz	UHJZFGRKPVXXGS-UHFFFAOYSA-N	1	0	372.469	1.709	20	30		FDEDRO
C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N	ZINC000415345752	792015629	/nfs/dbraw/zinc/01/56/29/792015629.db2.gz	QBVNOBWIXSUMPS-ZDUSSCGKSA-N	1	0	365.393	1.504	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)Cc3ccccc3)C[C@H]21	ZINC001025790785	792041458	/nfs/dbraw/zinc/04/14/58/792041458.db2.gz	OXCDPEUGQHZAJG-AUYGFBLUSA-N	1	0	370.493	1.618	20	30		FDEDRO
C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1	ZINC000415377237	792117129	/nfs/dbraw/zinc/11/71/29/792117129.db2.gz	NUQDROOFKAANIM-IBGZPJMESA-N	1	0	362.433	1.630	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1	ZINC000415374255	792127811	/nfs/dbraw/zinc/12/78/11/792127811.db2.gz	VEQSPBCWHVKFBA-MRXNPFEDSA-N	1	0	372.469	1.057	20	30		FDEDRO
CN1CCC[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1=O	ZINC000294611102	792163589	/nfs/dbraw/zinc/16/35/89/792163589.db2.gz	ZZHHCSKDVKALEH-GOSISDBHSA-N	1	0	354.454	1.461	20	30		FDEDRO
CCCc1c(NC(=O)C(=O)N(C)[C@H](C)C[NH3+])cnn1-c1cccc(C#N)c1	ZINC000415416636	792227380	/nfs/dbraw/zinc/22/73/80/792227380.db2.gz	LAWNRDLMTJMQTI-CYBMUJFWSA-N	1	0	368.441	1.441	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1	ZINC000415435391	792265002	/nfs/dbraw/zinc/26/50/02/792265002.db2.gz	JJELSXQCVHVBFB-KGLIPLIRSA-N	1	0	373.457	1.518	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1	ZINC000415458665	792303492	/nfs/dbraw/zinc/30/34/92/792303492.db2.gz	YRORNBRKARLNQT-ZFWWWQNUSA-N	1	0	374.441	1.108	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1	ZINC000415497384	792373783	/nfs/dbraw/zinc/37/37/83/792373783.db2.gz	HOJGTUZZSFYFLE-INIZCTEOSA-N	1	0	360.458	1.373	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@]2(C)C=CCC2)C[C@H]1c1ccccc1	ZINC001211650387	792449582	/nfs/dbraw/zinc/44/95/82/792449582.db2.gz	GBKZRDGLPPPYMI-NNMXDRDESA-N	1	0	365.477	1.676	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H]2C(=O)NC[C@@H]2C1	ZINC000377665435	792458892	/nfs/dbraw/zinc/45/88/92/792458892.db2.gz	GWLMUFQZPNDRGS-CKEIUWERSA-N	1	0	358.417	1.529	20	30		FDEDRO
CCCc1c(NC(=O)C(=O)NCCCC[NH3+])cnn1-c1cccc(C#N)c1	ZINC000415555451	792518676	/nfs/dbraw/zinc/51/86/76/792518676.db2.gz	BPJUDAGFKHIDRY-UHFFFAOYSA-N	1	0	368.441	1.490	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)[C@H](C)C[NH2+]1	ZINC000415566845	792540338	/nfs/dbraw/zinc/54/03/38/792540338.db2.gz	NEPPJGFLNBQVEJ-HZPDHXFCSA-N	1	0	362.433	1.629	20	30		FDEDRO
C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000415577252	792580778	/nfs/dbraw/zinc/58/07/78/792580778.db2.gz	YXTJJBBMJXZRIX-VHSXEESVSA-N	1	0	370.331	1.604	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)c(OC)c1	ZINC000377728915	792659598	/nfs/dbraw/zinc/65/95/98/792659598.db2.gz	WLHYOTCZNHLXFS-BRWVUGGUSA-N	1	0	360.454	1.231	20	30		FDEDRO
CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000415655849	792754015	/nfs/dbraw/zinc/75/40/15/792754015.db2.gz	KDNINANRAGWBRR-SNVBAGLBSA-N	1	0	372.347	1.552	20	30		FDEDRO
Cc1c(C(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)cnn1CCC#N	ZINC000893072378	792761431	/nfs/dbraw/zinc/76/14/31/792761431.db2.gz	JORALXFSIZPYBE-MRXNPFEDSA-N	1	0	359.474	1.821	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1	ZINC000377780791	792770708	/nfs/dbraw/zinc/77/07/08/792770708.db2.gz	YWCIRSJHFMCVSX-PMPSAXMXSA-N	1	0	364.490	1.936	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1	ZINC000415671790	792783047	/nfs/dbraw/zinc/78/30/47/792783047.db2.gz	DSYXVHIXPSTXHK-AWEZNQCLSA-N	1	0	358.442	1.871	20	30		FDEDRO
C=C(C)COc1cccc(NC(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1	ZINC000415732752	792893561	/nfs/dbraw/zinc/89/35/61/792893561.db2.gz	YMTSXHRBXFOJAK-KRWDZBQOSA-N	1	0	372.469	1.086	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1	ZINC000415746668	792920646	/nfs/dbraw/zinc/92/06/46/792920646.db2.gz	NVTNJVRLILLOSQ-LSDHHAIUSA-N	1	0	356.426	1.352	20	30		FDEDRO
C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3ccc(C)s3)C2)nn1	ZINC001105342443	806203755	/nfs/dbraw/zinc/20/37/55/806203755.db2.gz	FCLZPCNQIAGIRX-IAGOWNOFSA-N	1	0	369.494	1.948	20	30		FDEDRO
C=C(C)CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCO[C@H]3C(=C)C)C2)nn1	ZINC001105342580	806214879	/nfs/dbraw/zinc/21/48/79/806214879.db2.gz	LPQSTFOEOSOBLV-ROUUACIJSA-N	1	0	359.474	1.698	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1OCCO[C@H]1C)C[C@@H](C)O2	ZINC001098606012	793132326	/nfs/dbraw/zinc/13/23/26/793132326.db2.gz	NLISXYUAFBFWMM-IKGGRYGDSA-N	1	0	352.475	1.448	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)ccc1OC(F)(F)F	ZINC000415843029	793159455	/nfs/dbraw/zinc/15/94/55/793159455.db2.gz	RWZJMGCQPYMDDK-KOLCDFICSA-N	1	0	370.331	1.639	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1	ZINC000415880970	793280018	/nfs/dbraw/zinc/28/00/18/793280018.db2.gz	SRBHZOGBZBFDOC-AEFFLSMTSA-N	1	0	370.453	1.550	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H]3c4ccccc4NC3=O)[C@H]2C1	ZINC001083290123	793319087	/nfs/dbraw/zinc/31/90/87/793319087.db2.gz	JPNCAAFJUUGLEK-RYQLBKOJSA-N	1	0	355.438	1.600	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1	ZINC000979324970	806235725	/nfs/dbraw/zinc/23/57/25/806235725.db2.gz	MFXXJIKCVVHBFL-WKULXVSPSA-N	1	0	363.502	1.463	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC2)cc1	ZINC000415994177	793469825	/nfs/dbraw/zinc/46/98/25/793469825.db2.gz	KURLOWFLKSIVJD-OAHLLOKOSA-N	1	0	369.391	1.665	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2cscn2)C[C@H]1C	ZINC001104759591	793503415	/nfs/dbraw/zinc/50/34/15/793503415.db2.gz	RKQMQNHLFFQXEJ-ZIAGYGMSSA-N	1	0	350.488	1.062	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)C(=O)N2CCC(C)CC2)C[C@H]1C	ZINC001104760868	793530361	/nfs/dbraw/zinc/53/03/61/793530361.db2.gz	HWAOZXQYBFLLBY-QZTJIDSGSA-N	1	0	365.518	1.522	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]C[C@@H]3CCOC3)C2)nn1	ZINC001104777401	793599080	/nfs/dbraw/zinc/59/90/80/793599080.db2.gz	IUIKRRGZWASZJI-IXDOHACOSA-N	1	0	361.490	1.579	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCCCOC)C2)nn1	ZINC001104777448	793599973	/nfs/dbraw/zinc/59/99/73/793599973.db2.gz	KWZGEHYWCNLCKJ-IAGOWNOFSA-N	1	0	363.506	1.969	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nonc2C)C1	ZINC001104782761	793634626	/nfs/dbraw/zinc/63/46/26/793634626.db2.gz	RTACREANSORMHC-KBEGMRNHSA-N	1	0	362.474	1.933	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)nn2)C[C@H]1C	ZINC001104790613	793702821	/nfs/dbraw/zinc/70/28/21/793702821.db2.gz	XWQPLFLFACLCRM-HZPDHXFCSA-N	1	0	352.442	1.373	20	30		FDEDRO
CCC[C@](C)(CC)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104842586	794018112	/nfs/dbraw/zinc/01/81/12/794018112.db2.gz	OIGJGSKYJPSLQG-MDZRGWNJSA-N	1	0	350.507	1.917	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)[C@H]2C1	ZINC000378450395	794162925	/nfs/dbraw/zinc/16/29/25/794162925.db2.gz	IDEJPLCZYKPZEO-ZBFHGGJFSA-N	1	0	356.426	1.448	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)c2cn(C3CCOCC3)nn2)C[C@H]1C	ZINC001104879754	794188825	/nfs/dbraw/zinc/18/88/25/794188825.db2.gz	OERVYATZATVLBK-HZPDHXFCSA-N	1	0	361.490	1.894	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)c2cscn2)C[C@H]1C	ZINC001104879486	794194962	/nfs/dbraw/zinc/19/49/62/794194962.db2.gz	LIAIHGZZZHGPPL-HUUCEWRRSA-N	1	0	364.515	1.913	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2nccn3cc(C)nc23)C[C@H]1C	ZINC001104882336	794196329	/nfs/dbraw/zinc/19/63/29/794196329.db2.gz	VTKDMFCSQZBWQW-NVXWUHKLSA-N	1	0	371.485	1.928	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CC(=O)NCC2CC2)C[C@H]1C	ZINC001104885550	794210358	/nfs/dbraw/zinc/21/03/58/794210358.db2.gz	CNPMTLYMGNXHDV-NVXWUHKLSA-N	1	0	351.491	1.180	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnn(C)c2C(F)F)C[C@H]1C	ZINC001104896620	794279139	/nfs/dbraw/zinc/27/91/39/794279139.db2.gz	HWMNVEKYNBARTD-ZIAGYGMSSA-N	1	0	368.428	1.695	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(C)ccc2C)C[C@H]1C	ZINC001104948744	794526756	/nfs/dbraw/zinc/52/67/56/794526756.db2.gz	MAPGIUKPQPUUKY-QZTJIDSGSA-N	1	0	355.482	1.741	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cccc(OC)c2)C[C@H]1C	ZINC001104947493	794533442	/nfs/dbraw/zinc/53/34/42/794533442.db2.gz	TUBLKPZJXNFXLE-SOLBZPMBSA-N	1	0	371.481	1.521	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)C[C@H]1C	ZINC001104966866	794608445	/nfs/dbraw/zinc/60/84/45/794608445.db2.gz	IHPQTKZDIYPIQY-HLLBOEOZSA-N	1	0	363.506	1.319	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(F)cc2F)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104969136	794631000	/nfs/dbraw/zinc/63/10/00/794631000.db2.gz	KOEGNHCOTXZWPB-CHWSQXEVSA-N	1	0	364.396	1.292	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(F)cc(F)c2)C[C@H]1C	ZINC001104983689	794730408	/nfs/dbraw/zinc/73/04/08/794730408.db2.gz	VBACCEZLIFOWJX-ZIAGYGMSSA-N	1	0	363.408	1.402	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H](CN(C)c3ccc(C#N)nn3)C2)CC[N@@H+]1C	ZINC001058708211	794746122	/nfs/dbraw/zinc/74/61/22/794746122.db2.gz	FNFCLAOYIWQRPK-BFYDXBDKSA-N	1	0	356.474	1.363	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(=O)n(CCCC)n2)C[C@H]1C	ZINC001104996320	794795610	/nfs/dbraw/zinc/79/56/10/794795610.db2.gz	FQSFZKAKKPUCQZ-IAGOWNOFSA-N	1	0	358.486	1.755	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)c2cccc(-n3cnnn3)c2)C[C@H]1C	ZINC001104997098	794801763	/nfs/dbraw/zinc/80/17/63/794801763.db2.gz	QXCWJLPAFPQJGI-NVXWUHKLSA-N	1	0	354.458	1.926	20	30		FDEDRO
CC(C)C[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1	ZINC001105002254	794831618	/nfs/dbraw/zinc/83/16/18/794831618.db2.gz	ZKIXYQZJIXKIHU-BPLDGKMQSA-N	1	0	353.430	1.818	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CS(=O)(=O)NC(C)(C)C)C[C@H]1C	ZINC001105026454	794969599	/nfs/dbraw/zinc/96/95/99/794969599.db2.gz	WBBTVMBBAMTSTB-HUUCEWRRSA-N	1	0	359.536	1.355	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCc2nccs2)C[C@H]1C	ZINC001105031282	794981282	/nfs/dbraw/zinc/98/12/82/794981282.db2.gz	OBDHQGXACMMNGS-HUUCEWRRSA-N	1	0	364.515	1.452	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2COCCN2C(C)=O)C[C@H]1C	ZINC001105033512	795012543	/nfs/dbraw/zinc/01/25/43/795012543.db2.gz	ACZWSTJUUDBLJY-KBAYOESNSA-N	1	0	351.491	1.274	20	30		FDEDRO
CCN(CC)C(=O)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C1	ZINC001105050382	795066742	/nfs/dbraw/zinc/06/67/42/795066742.db2.gz	PEBYUXPTWCYAGD-QZTJIDSGSA-N	1	0	365.518	1.359	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)OCCOCC)C[C@H]1C	ZINC001105058822	795091088	/nfs/dbraw/zinc/09/10/88/795091088.db2.gz	ZTOBNDFKXLMVGU-FGTMMUONSA-N	1	0	356.507	1.705	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(CF)cc2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001105080726	795184756	/nfs/dbraw/zinc/18/47/56/795184756.db2.gz	ZLSZWWUKSGGABX-RHSMWYFYSA-N	1	0	360.433	1.484	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCc2nc(C)no2)C1	ZINC001105090147	795233651	/nfs/dbraw/zinc/23/36/51/795233651.db2.gz	LHCMQZPJLQCYJB-HLLBOEOZSA-N	1	0	364.490	1.976	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC2CC2)C1	ZINC001105090212	795233660	/nfs/dbraw/zinc/23/36/60/795233660.db2.gz	MVRWNFAVTMEIKG-BZUAXINKSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H](C)OC)C1	ZINC001112079605	795233730	/nfs/dbraw/zinc/23/37/30/795233730.db2.gz	PSLHRAXEJZQLHF-MGPQQGTHSA-N	1	0	352.397	1.983	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2C(C)C)C1	ZINC001105090331	795234136	/nfs/dbraw/zinc/23/41/36/795234136.db2.gz	QYNUWNJXWMARJN-OWCLPIDISA-N	1	0	364.494	1.419	20	30		FDEDRO
C#CC[C@@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1)c1ccccc1	ZINC001105111343	795321858	/nfs/dbraw/zinc/32/18/58/795321858.db2.gz	UNAQXNICWRFCAX-NZSAHSFTSA-N	1	0	355.482	1.743	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cncc(F)c2)C[C@H]1C(F)(F)F	ZINC001112080930	795331773	/nfs/dbraw/zinc/33/17/73/795331773.db2.gz	YFIWRORHZIQKNE-ZIAGYGMSSA-N	1	0	359.323	1.463	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC1CCC([NH2+]Cc2cccc(C#N)c2)CC1	ZINC001026509022	795480699	/nfs/dbraw/zinc/48/06/99/795480699.db2.gz	WHPVAKAYBNBIPJ-QKHJWGRCSA-N	1	0	357.454	1.879	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCCC#CC)C[C@H]1c1ccccc1	ZINC001211655154	795515064	/nfs/dbraw/zinc/51/50/64/795515064.db2.gz	BPHIFCZRMORFPQ-VQTJNVASSA-N	1	0	365.477	1.514	20	30		FDEDRO
CCCC[C@H](C[NH3+])NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000418083371	795519355	/nfs/dbraw/zinc/51/93/55/795519355.db2.gz	ZTSZXWWKBGAGSO-SJORKVTESA-N	1	0	357.458	1.476	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC([NH2+]Cc2ccn(C)c(=O)c2)CC1	ZINC001026564114	795558296	/nfs/dbraw/zinc/55/82/96/795558296.db2.gz	SIELQYUJAHCQIS-HIEASXQVSA-N	1	0	359.470	1.493	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CCC([NH2+]CCn2cncn2)CC1	ZINC001026574352	795578004	/nfs/dbraw/zinc/57/80/04/795578004.db2.gz	PXBFKBQAUVBDFS-FOIPXRHGSA-N	1	0	361.490	1.666	20	30		FDEDRO
CC[NH2+]CCNC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N	ZINC000418324040	795787563	/nfs/dbraw/zinc/78/75/63/795787563.db2.gz	GLTLVDYQMKRWHQ-UHFFFAOYSA-N	1	0	369.473	1.476	20	30		FDEDRO
C[NH2+]C[C@@H](C)CNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000418365200	795824167	/nfs/dbraw/zinc/82/41/67/795824167.db2.gz	DWHAKPDGQSETIU-CYBMUJFWSA-N	1	0	372.429	1.493	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1	ZINC000418373219	795836813	/nfs/dbraw/zinc/83/68/13/795836813.db2.gz	ZKZBRHVQQHWRDJ-KRWDZBQOSA-N	1	0	356.474	1.692	20	30		FDEDRO
CCc1nc(C#N)cc(N[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)C)n1	ZINC001105295593	795853870	/nfs/dbraw/zinc/85/38/70/795853870.db2.gz	MOMNGQVZUZNYED-FVQBIDKESA-N	1	0	358.490	1.804	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2ccncc2C)C[C@H]1C(F)(F)F	ZINC001112096127	795858271	/nfs/dbraw/zinc/85/82/71/795858271.db2.gz	BDCSQNOBUNBDPL-HUUCEWRRSA-N	1	0	355.360	1.632	20	30		FDEDRO
N#CCSc1ccccc1C(=O)NCC(=O)NCC[NH+]1CCCCC1	ZINC000909327932	795969324	/nfs/dbraw/zinc/96/93/24/795969324.db2.gz	PSZYRTTYYQFCRS-UHFFFAOYSA-N	1	0	360.483	1.634	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCCOC)C1	ZINC001112101001	796032633	/nfs/dbraw/zinc/03/26/33/796032633.db2.gz	SZHSVYWXCOKNRD-BFHYXJOUSA-N	1	0	350.381	1.430	20	30		FDEDRO
C#CCN1CCN(C(=O)CN2CC[N@H+](Cc3ccccc3)[C@@H](CC)C2)CC1	ZINC000759892340	796060862	/nfs/dbraw/zinc/06/08/62/796060862.db2.gz	XWUUYDUVDUYTDA-NRFANRHFSA-N	1	0	368.525	1.360	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000364467941	796090172	/nfs/dbraw/zinc/09/01/72/796090172.db2.gz	WOPRQTNQAKWREH-IAGOWNOFSA-N	1	0	359.474	1.326	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1	ZINC000979854770	806561679	/nfs/dbraw/zinc/56/16/79/806561679.db2.gz	YREMSGUONYMLID-WSRJKRBPSA-N	1	0	363.502	1.320	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)CCC[NH2+]1	ZINC000662463644	806691126	/nfs/dbraw/zinc/69/11/26/806691126.db2.gz	CSNZOSKGMABGKR-FQEVSTJZSA-N	1	0	371.437	1.398	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)C45CCC[NH+]4CCC5)[C@@H]3C2)[nH]1	ZINC000974566253	799803011	/nfs/dbraw/zinc/80/30/11/799803011.db2.gz	OYNJIPULNWMEEX-RHSMWYFYSA-N	1	0	367.453	1.188	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)[C@@H]2C1	ZINC000974570999	799842156	/nfs/dbraw/zinc/84/21/56/799842156.db2.gz	XUMGJXSZMQJNSU-KVSKMBFKSA-N	1	0	368.481	1.623	20	30		FDEDRO
C=C(C)Cn1c(-c2ccc(=O)n(C)c2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000909341749	800327875	/nfs/dbraw/zinc/32/78/75/800327875.db2.gz	MYNFKRJDLGEKLV-QGZVFWFLSA-N	1	0	368.485	1.893	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCCc1nc(C)no1	ZINC001027890755	806839369	/nfs/dbraw/zinc/83/93/69/806839369.db2.gz	HWHNTKBVLPTBSE-ZACQAIPSSA-N	1	0	362.474	1.872	20	30		FDEDRO
CC1CC[NH+](CC(=O)N2C[C@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@H]32)CC1	ZINC000974913643	800544527	/nfs/dbraw/zinc/54/45/27/800544527.db2.gz	WKODBMJBZZBAMV-SJLPKXTDSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=C[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)Cc3ncc[nH]3)[C@@H]2C1)c1ccccc1	ZINC000974920197	800557394	/nfs/dbraw/zinc/55/73/94/800557394.db2.gz	DNPBTEQJBRKFCM-KZNAEPCWSA-N	1	0	364.449	1.981	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1	ZINC001087428905	806849459	/nfs/dbraw/zinc/84/94/59/806849459.db2.gz	GAYUJKACBBXPBX-GUDVDZBRSA-N	1	0	353.466	1.462	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001027067115	800646194	/nfs/dbraw/zinc/64/61/94/800646194.db2.gz	JHUVYXOMLGBVFL-KSZLIROESA-N	1	0	354.454	1.221	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1	ZINC001027067600	800651731	/nfs/dbraw/zinc/65/17/31/800651731.db2.gz	WJSOVRYVHOVZGL-WQVCFCJDSA-N	1	0	360.483	1.282	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C(N)=O)cc2)C1	ZINC001027075475	800889180	/nfs/dbraw/zinc/88/91/80/800889180.db2.gz	TYKOXZKWJBKIOF-JQHSSLGASA-N	1	0	357.454	1.315	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cc(=O)c(OC)co2)C1	ZINC001027076989	800892774	/nfs/dbraw/zinc/89/27/74/800892774.db2.gz	ZKYZFBCTUYIYPW-UNEWFSDZSA-N	1	0	362.426	1.178	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cnn(CC)n2)C1	ZINC001027113949	800978647	/nfs/dbraw/zinc/97/86/47/800978647.db2.gz	MGLKCTWLHAQCHL-SZMVWBNQSA-N	1	0	361.490	1.607	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cn(C(C)C)nn2)C1	ZINC001027117413	801016469	/nfs/dbraw/zinc/01/64/69/801016469.db2.gz	XUBLVVLZLFXGQG-SZMVWBNQSA-N	1	0	361.490	1.778	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)CCC[NH2+]1	ZINC000662671965	806945519	/nfs/dbraw/zinc/94/55/19/806945519.db2.gz	TVVXTBURUGWYLG-NRFANRHFSA-N	1	0	370.497	1.145	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]21	ZINC000975662368	801916386	/nfs/dbraw/zinc/91/63/86/801916386.db2.gz	MXMKTYKSBXTDSZ-WBAXXEDZSA-N	1	0	369.469	1.434	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2nccs2)C[C@H]1c1ccccc1	ZINC001211694959	806955898	/nfs/dbraw/zinc/95/58/98/806955898.db2.gz	CFGILGWPGGPIAW-JKSUJKDBSA-N	1	0	370.478	1.643	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)[C@@H]4CC45CC5)[C@H]3C2)CC1	ZINC000975753912	802206272	/nfs/dbraw/zinc/20/62/72/802206272.db2.gz	AWYDCKWTGUTIDT-WDSOQIARSA-N	1	0	369.509	1.581	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)CCC4CC4)[C@H]3C2)CC1	ZINC000975755371	802270845	/nfs/dbraw/zinc/27/08/45/802270845.db2.gz	XCKJPCSKHCAPRI-ICSRJNTNSA-N	1	0	371.525	1.971	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21	ZINC000975821125	802519516	/nfs/dbraw/zinc/51/95/16/802519516.db2.gz	SPFRCAFLFHAIMM-MHORFTMASA-N	1	0	373.497	1.123	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CCN(C(=O)C#CC4CC4)[C@H]3C2)CC[N@@H+]1C	ZINC000975915747	802707731	/nfs/dbraw/zinc/70/77/31/802707731.db2.gz	RRPMCELWGWHZSN-WNHJNPCNSA-N	1	0	357.498	1.580	20	30		FDEDRO
C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1ccc(OCC(N)=O)cc1	ZINC000661115946	802730390	/nfs/dbraw/zinc/73/03/90/802730390.db2.gz	VTTNWDHSVKVCBC-FUHWJXTLSA-N	1	0	359.470	1.891	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4CC)C[C@@H]32)CC1	ZINC000976066386	802921871	/nfs/dbraw/zinc/92/18/71/802921871.db2.gz	GFAASMXVKXIMAQ-BWPNAZKDSA-N	1	0	371.525	1.827	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCN(Cc3noc(C(C)(C)C)n3)CC2)CCC[NH2+]1	ZINC000662739519	802983095	/nfs/dbraw/zinc/98/30/95/802983095.db2.gz	PRZVGOVAXSKOMO-LJQANCHMSA-N	1	0	361.490	1.710	20	30		FDEDRO
C=CC[C@]1(C(=O)NC[C@H](c2cccs2)N2CCN(C)CC2)CCC[NH2+]1	ZINC000662754718	803063503	/nfs/dbraw/zinc/06/35/03/803063503.db2.gz	UOGBMNYIGOVILM-VQIMIIECSA-N	1	0	362.543	1.851	20	30		FDEDRO
C=C[C@H](CO)NC(=O)NC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1	ZINC000661276925	803165283	/nfs/dbraw/zinc/16/52/83/803165283.db2.gz	RMKMRBHSTKITKG-MRXNPFEDSA-N	1	0	360.458	1.456	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)NCC1CC[NH+](C2CCOCC2)CC1	ZINC000661335649	803271349	/nfs/dbraw/zinc/27/13/49/803271349.db2.gz	BNBZUOIZJIZZTE-WMZOPIPTSA-N	1	0	351.491	1.768	20	30		FDEDRO
C=CC[C@@H]1CCC[N@@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1	ZINC000661376926	803400580	/nfs/dbraw/zinc/40/05/80/803400580.db2.gz	GWXSUDONXTWXPO-QGZVFWFLSA-N	1	0	364.534	1.333	20	30		FDEDRO
C=CC[C@H]1CCC[N@@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1	ZINC000661376924	803400598	/nfs/dbraw/zinc/40/05/98/803400598.db2.gz	GWXSUDONXTWXPO-KRWDZBQOSA-N	1	0	364.534	1.333	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2cc(C#N)c[nH]2)C1	ZINC000976480487	803415677	/nfs/dbraw/zinc/41/56/77/803415677.db2.gz	HTDVOZRSRRQLEE-NUEKZKHPSA-N	1	0	357.458	1.385	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC000976539868	803491689	/nfs/dbraw/zinc/49/16/89/803491689.db2.gz	SPRRFBWGQBJIHC-NUJGCVRESA-N	1	0	371.485	1.916	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC23CC3)CC1	ZINC000976815850	803934410	/nfs/dbraw/zinc/93/44/10/803934410.db2.gz	QEPKIYAXFPVLLH-KZNAEPCWSA-N	1	0	357.498	1.675	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)Cc1ccccc1	ZINC000976879326	803997018	/nfs/dbraw/zinc/99/70/18/803997018.db2.gz	IWQXEYQUOVRHDS-AQNXPRMDSA-N	1	0	367.493	1.870	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1	ZINC000423172727	814987957	/nfs/dbraw/zinc/98/79/57/814987957.db2.gz	UWMZXMAACLKJSQ-NVXWUHKLSA-N	1	0	359.470	1.796	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1	ZINC000423206127	814991292	/nfs/dbraw/zinc/99/12/92/814991292.db2.gz	CGNPPCZKFLYSRY-GDBMZVCRSA-N	1	0	374.441	1.695	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1	ZINC000423194237	814997413	/nfs/dbraw/zinc/99/74/13/814997413.db2.gz	YQFFDRKFMSWIBJ-CRAIPNDOSA-N	1	0	354.454	1.516	20	30		FDEDRO
Cc1cc(C(=O)N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)cc(C)c1C#N	ZINC000909368317	804271849	/nfs/dbraw/zinc/27/18/49/804271849.db2.gz	SYTBZRADLSNLQL-KRWDZBQOSA-N	1	0	354.454	1.602	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](COC)OC)C[C@H]1c1ccccc1	ZINC001211670858	804544305	/nfs/dbraw/zinc/54/43/05/804544305.db2.gz	MMPRHKZPNWIPLO-BBWFWOEESA-N	1	0	352.862	1.985	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(=O)NC)C2)c1	ZINC001211671067	804572988	/nfs/dbraw/zinc/57/29/88/804572988.db2.gz	VIVOSXKLDZDOBY-RBUKOAKNSA-N	1	0	362.433	1.007	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]1CN(C)C(=O)C1CC[NH+](C)CC1	ZINC000977954220	805077229	/nfs/dbraw/zinc/07/72/29/805077229.db2.gz	ZVAYPFXOSXGNKY-BZSNNMDCSA-N	1	0	363.502	1.369	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)cc1	ZINC000978150261	805237451	/nfs/dbraw/zinc/23/74/51/805237451.db2.gz	WKJBZAWPGWIZOA-RCCFBDPRSA-N	1	0	362.433	1.868	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCO[C@H]3c3cnn(C)c3)[C@@H]2C1	ZINC000978278427	805332525	/nfs/dbraw/zinc/33/25/25/805332525.db2.gz	DSMQUMCTHDQVAS-QQXKLLMISA-N	1	0	356.470	1.205	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)CCN2CCCC2=O)C1	ZINC001027612643	805367209	/nfs/dbraw/zinc/36/72/09/805367209.db2.gz	MRWCZAGRDHCNAF-LNLFQRSKSA-N	1	0	363.502	1.513	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)NCC(=O)NCC#N)c1cccc(C(F)(F)F)c1	ZINC000511920217	805382633	/nfs/dbraw/zinc/38/26/33/805382633.db2.gz	CGRWTEPCBVAUIR-ZDUSSCGKSA-N	1	0	371.363	1.247	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000278889817	806991692	/nfs/dbraw/zinc/99/16/92/806991692.db2.gz	OBEUDUBKKYVKMK-CABCVRRESA-N	1	0	357.458	1.796	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC000980473843	807020706	/nfs/dbraw/zinc/02/07/06/807020706.db2.gz	XDGNWMVHWWHFRH-MOIQIXESSA-N	1	0	354.454	1.028	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1c1ccccc1	ZINC001211696696	807241163	/nfs/dbraw/zinc/24/11/63/807241163.db2.gz	MOAHXYUUBUCWBX-ZWKOTPCHSA-N	1	0	354.458	1.614	20	30		FDEDRO
C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1	ZINC000423530604	815102835	/nfs/dbraw/zinc/10/28/35/815102835.db2.gz	RKLHILWTXRUSNX-SQNIBIBYSA-N	1	0	354.454	1.495	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2	ZINC000423531345	815104081	/nfs/dbraw/zinc/10/40/81/815104081.db2.gz	SMEFYQFMALWIGP-HCXYKTFWSA-N	1	0	366.465	1.638	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](CCCc2nc(C)no2)CC1	ZINC000981186164	807676559	/nfs/dbraw/zinc/67/65/59/807676559.db2.gz	MOXVAFRHCYEVCJ-SJORKVTESA-N	1	0	362.474	1.826	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1	ZINC000981194471	807700014	/nfs/dbraw/zinc/70/00/14/807700014.db2.gz	FFTSZCNPCOLUFO-YXJHDRRASA-N	1	0	371.485	1.775	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1	ZINC001087433908	807756572	/nfs/dbraw/zinc/75/65/72/807756572.db2.gz	LYHBDGWEKCSAQC-QRVBRYPASA-N	1	0	370.497	1.951	20	30		FDEDRO
N#Cc1cccc(OC2CCN(C(=O)C(=O)N3CCCC[C@H]3C[NH3+])CC2)c1	ZINC000423618070	815161764	/nfs/dbraw/zinc/16/17/64/815161764.db2.gz	GZGFXBOCBOQLIL-INIZCTEOSA-N	1	0	370.453	1.268	20	30		FDEDRO
CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1	ZINC000423717867	815211582	/nfs/dbraw/zinc/21/15/82/815211582.db2.gz	KOAIPEPDEWSHAF-KURKYZTESA-N	1	0	354.454	1.353	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1ccco1)C2	ZINC001112533571	808734651	/nfs/dbraw/zinc/73/46/51/808734651.db2.gz	ROWYKOQBWQUUCE-WCLQXYBISA-N	1	0	371.481	1.904	20	30		FDEDRO
CC[C@H](C)[C@H]([NH2+]C1CCN(C(=O)c2cccc(OC)c2)CC1)C(=O)NO	ZINC001167866499	808906228	/nfs/dbraw/zinc/90/62/28/808906228.db2.gz	FOYIHFXPJAKETH-GUYCJALGSA-N	1	0	363.458	1.810	20	30		FDEDRO
N#CCCn1cc(C[N@H+]2CCC[C@H](OCCO)C2)c(-c2ccncc2)n1	ZINC000279329000	808925138	/nfs/dbraw/zinc/92/51/38/808925138.db2.gz	CNDAWXXDMRAOHE-SFHVURJKSA-N	1	0	355.442	1.832	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCc1cnn(C)c1	ZINC001028190393	808943602	/nfs/dbraw/zinc/94/36/02/808943602.db2.gz	SURZKZRTIWJAII-FHWLQOOXSA-N	1	0	360.502	1.915	20	30		FDEDRO
CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC001028192724	808953444	/nfs/dbraw/zinc/95/34/44/808953444.db2.gz	KIHZYLMKNJGCTI-ZIFCJYIRSA-N	1	0	354.454	1.205	20	30		FDEDRO
C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C2)C1	ZINC000982009120	809003101	/nfs/dbraw/zinc/00/31/01/809003101.db2.gz	GFASMKBSOJBXGI-DLBZAZTESA-N	1	0	363.502	1.513	20	30		FDEDRO
Cc1ccc(-n2nc(CCCNC(=O)N[C@@H](C)C[NH3+])c(C#N)c2N)cc1	ZINC000418611769	809076929	/nfs/dbraw/zinc/07/69/29/809076929.db2.gz	HPESQBIWOVGSMJ-ZDUSSCGKSA-N	1	0	355.446	1.214	20	30		FDEDRO
C=CCNC(=O)CN1CCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1	ZINC000418685720	809129673	/nfs/dbraw/zinc/12/96/73/809129673.db2.gz	ZOVQIEHRMANSEL-SFHVURJKSA-N	1	0	373.501	1.096	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCN(C(C)=O)C2)C[C@H]1c1ccccc1	ZINC001211715820	809144646	/nfs/dbraw/zinc/14/46/46/809144646.db2.gz	ROFXHWFIGCWAIR-HSALFYBXSA-N	1	0	353.466	1.462	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NCCC[C@H]2CCC[NH2+]2)CCN1Cc1ccccc1	ZINC000418750347	809183444	/nfs/dbraw/zinc/18/34/44/809183444.db2.gz	NYOVUDFRWBZLEK-RTBURBONSA-N	1	0	355.486	1.938	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1	ZINC000418820266	809244519	/nfs/dbraw/zinc/24/45/19/809244519.db2.gz	FCIVJAHVWHPVIS-MLHJIOFPSA-N	1	0	363.502	1.465	20	30		FDEDRO
C[C@H]1CCCN(C(=O)C(=O)NCCSCc2ccccc2C#N)[C@H]1C[NH3+]	ZINC000418920988	809315469	/nfs/dbraw/zinc/31/54/69/809315469.db2.gz	LKRXERYPBNWAPS-YOEHRIQHSA-N	1	0	374.510	1.493	20	30		FDEDRO
C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCCSCc2ccccc2C#N)C1	ZINC000418928210	809321617	/nfs/dbraw/zinc/32/16/17/809321617.db2.gz	UNVPWBMPDFSACY-OAHLLOKOSA-N	1	0	374.510	1.366	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C[C@H]1c1ccccc1	ZINC001211726059	809393864	/nfs/dbraw/zinc/39/38/64/809393864.db2.gz	IDFWYIMSKSLWBB-QLIIJSOBSA-N	1	0	355.482	1.755	20	30		FDEDRO
N#Cc1ccccc1OC1CCC(NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1	ZINC000419028999	809428941	/nfs/dbraw/zinc/42/89/41/809428941.db2.gz	FJIMMGKPTPZAME-OFLPRAFFSA-N	1	0	370.453	1.218	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C[C@@]2(C)C1	ZINC000982377123	809435198	/nfs/dbraw/zinc/43/51/98/809435198.db2.gz	QRHKPBNDAXOZAD-GJJHYRHESA-N	1	0	363.502	1.546	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)c1	ZINC000419081204	809538592	/nfs/dbraw/zinc/53/85/92/809538592.db2.gz	RFLCQDQKCVQSQF-UHFFFAOYSA-N	1	0	366.465	1.444	20	30		FDEDRO
C[NH+]=C(NCC1Cc2ccccc2C1)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261686214	809569960	/nfs/dbraw/zinc/56/99/60/809569960.db2.gz	IBEUYQNJTXUTJF-UHFFFAOYSA-N	1	0	366.469	1.059	20	30		FDEDRO
COc1ccc(C(=O)N2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)cc1OC	ZINC000424061753	815306842	/nfs/dbraw/zinc/30/68/42/815306842.db2.gz	GBFMUFDUOCYTQU-HNNXBMFYSA-N	1	0	374.441	1.009	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(CNC(=O)[C@@H]([NH3+])CCCC#N)cc2)C[C@H](C)O1	ZINC000424109624	815312737	/nfs/dbraw/zinc/31/27/37/815312737.db2.gz	WBXZWZFAPFHOGU-DAYGRLMNSA-N	1	0	372.469	1.573	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)c2)C[C@H]1c1ccccc1	ZINC001211729941	809674831	/nfs/dbraw/zinc/67/48/31/809674831.db2.gz	MVPFRCTYXRPAJY-VQTJNVASSA-N	1	0	350.466	1.960	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@](C)(Cc2ccc(F)cc2)C(=O)OC)CC1	ZINC000893732983	809681930	/nfs/dbraw/zinc/68/19/30/809681930.db2.gz	SXOVDOHTNMFYHT-HXUWFJFHSA-N	1	0	360.429	1.761	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)CS(C)(=O)=O)C[C@H]1c1ccccc1	ZINC001211732407	809773184	/nfs/dbraw/zinc/77/31/84/809773184.db2.gz	FWAMCQAAIZCKCX-BPQIPLTHSA-N	1	0	362.495	1.275	20	30		FDEDRO
CN(C)Cc1nc(C2(NC(=O)[C@@H]([NH3+])CCCC#N)CCCCCC2)no1	ZINC000424140590	815315849	/nfs/dbraw/zinc/31/58/49/815315849.db2.gz	WIZZPPVMNUOHQS-AWEZNQCLSA-N	1	0	362.478	1.818	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)C2)C[C@H]1c1ccccc1	ZINC001211732495	809801235	/nfs/dbraw/zinc/80/12/35/809801235.db2.gz	KISKWTGFCJPASQ-CEXWTWQISA-N	1	0	353.466	1.462	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NC2CC2)C1	ZINC001211736604	809923092	/nfs/dbraw/zinc/92/30/92/809923092.db2.gz	ZJWDNFZLNNZUOO-ZYSHUDEJSA-N	1	0	371.481	1.440	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000894098583	809941878	/nfs/dbraw/zinc/94/18/78/809941878.db2.gz	IYSPKWYPOIQGLA-YJBOKZPZSA-N	1	0	369.469	1.837	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)CC1	ZINC000067141195	810044539	/nfs/dbraw/zinc/04/45/39/810044539.db2.gz	VFFNZQAUKGYTDN-HXUWFJFHSA-N	1	0	350.466	1.741	20	30		FDEDRO
CC#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cn2nccn2)C1	ZINC001087455903	810070703	/nfs/dbraw/zinc/07/07/03/810070703.db2.gz	UVYLHNPFKSKMJF-QZTJIDSGSA-N	1	0	355.417	1.415	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCCNC2=O)C1	ZINC001087455908	810071539	/nfs/dbraw/zinc/07/15/39/810071539.db2.gz	VDEGGGFHAOCVGX-GUDVDZBRSA-N	1	0	371.456	1.649	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)C[C@H]1C(F)(F)F	ZINC001112122467	810111844	/nfs/dbraw/zinc/11/18/44/810111844.db2.gz	ONCYFJSSJHCUFY-MGPQQGTHSA-N	1	0	361.408	1.800	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCN(C)C(=O)C2)C[C@H]1C(F)(F)F	ZINC001112122466	810111949	/nfs/dbraw/zinc/11/19/49/810111949.db2.gz	ONCYFJSSJHCUFY-BFHYXJOUSA-N	1	0	361.408	1.800	20	30		FDEDRO
Cc1c2cc(C#N)ccc2sc1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1	ZINC000429862738	810175691	/nfs/dbraw/zinc/17/56/91/810175691.db2.gz	ZLAUXICHRQWODR-UHFFFAOYSA-N	1	0	370.478	1.927	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2N(C)C)C[C@H]1OC	ZINC001212178374	810291140	/nfs/dbraw/zinc/29/11/40/810291140.db2.gz	UISMUXLIAFPCPQ-YVWKXTFCSA-N	1	0	361.486	1.395	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccncc1	ZINC000785395743	815362472	/nfs/dbraw/zinc/36/24/72/815362472.db2.gz	IARMOSAPBQPHMW-MSOLQXFVSA-N	1	0	374.485	1.288	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@]2(C)C1	ZINC000982574475	810414505	/nfs/dbraw/zinc/41/45/05/810414505.db2.gz	OHKLQYGVEYLTIT-STNJDDFNSA-N	1	0	363.502	1.225	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](CCn3cncn3)C[C@]2(C)C1	ZINC000982575642	810430660	/nfs/dbraw/zinc/43/06/60/810430660.db2.gz	YOURPNSCENOISX-JFRXWTBNSA-N	1	0	359.474	1.040	20	30		FDEDRO
C[C@H]1COCCN1CCNC(=O)c1cnn(CCC#N)c1-c1ccccc1	ZINC000429983036	810532841	/nfs/dbraw/zinc/53/28/41/810532841.db2.gz	AVIYQRLFJDLFPP-INIZCTEOSA-N	1	0	367.453	1.914	20	30		FDEDRO
CCC[NH+]1CCN(C2CCN(c3nccc(C#N)c3[N+](=O)[O-])CC2)CC1	ZINC000366180520	810564612	/nfs/dbraw/zinc/56/46/12/810564612.db2.gz	UWDBLNIKJLVEMF-UHFFFAOYSA-N	1	0	358.446	1.858	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@]2(C)C[N@H+](CCCO)C[C@]2(C)C1	ZINC000982630724	810629049	/nfs/dbraw/zinc/62/90/49/810629049.db2.gz	PKOFTGLYYIMOEW-QGZVKYPTSA-N	1	0	350.503	1.911	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@]2(C)C[N@@H+]([C@@H](C)C(N)=O)C[C@]2(C)C1	ZINC000982631422	810639146	/nfs/dbraw/zinc/63/91/46/810639146.db2.gz	XTYDEKOOFRUBLI-IEYYFSCXSA-N	1	0	363.502	1.402	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@]2(C)CN(Cc3cnon3)C[C@@]2(C)C1	ZINC000982640553	810668982	/nfs/dbraw/zinc/66/89/82/810668982.db2.gz	GOSHXLYNHAEFEY-PBWTXFEYSA-N	1	0	360.458	1.721	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)nn1CCC#N	ZINC000505027562	815393318	/nfs/dbraw/zinc/39/33/18/815393318.db2.gz	SRHIEKUIDRJUTF-MRXNPFEDSA-N	1	0	374.489	1.670	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@@H+](Cc4cccc(C(N)=O)c4)C[C@H]32)c1	ZINC001075658725	810910115	/nfs/dbraw/zinc/91/01/15/810910115.db2.gz	QELDMVHXOYEHNU-FUHWJXTLSA-N	1	0	363.421	1.332	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCCCC#N)cc2)CC1	ZINC000729065087	810945410	/nfs/dbraw/zinc/94/54/10/810945410.db2.gz	OMGFFTNKXVIAOM-UHFFFAOYSA-N	1	0	357.458	1.577	20	30		FDEDRO
CO[C@H](C[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1)c1ccccc1	ZINC001083392805	811208362	/nfs/dbraw/zinc/20/83/62/811208362.db2.gz	ZXUGKQNHGXLJHN-FGTMMUONSA-N	1	0	354.410	1.049	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)nn1	ZINC000424759860	815432078	/nfs/dbraw/zinc/43/20/78/815432078.db2.gz	WOUDLSIEHOHPSF-QZTJIDSGSA-N	1	0	369.469	1.467	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCC2)N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1	ZINC000261682598	811296995	/nfs/dbraw/zinc/29/69/95/811296995.db2.gz	DGDALERBGVBCIX-CZUORRHYSA-N	1	0	372.448	1.901	20	30		FDEDRO
CCc1nn(C)c(CC)c1CNC(=[NH+]C)N1CCO[C@@H](c2cnn(C)c2)C1	ZINC000261716227	811303296	/nfs/dbraw/zinc/30/32/96/811303296.db2.gz	HWZVBXNAOAEAEY-GOSISDBHSA-N	1	0	373.505	1.427	20	30		FDEDRO
CC[NH+]=C(NC[C@](C)(O)c1ccco1)N1CCO[C@H](c2cnn(C)c2)C1	ZINC000261832620	811329725	/nfs/dbraw/zinc/32/97/25/811329725.db2.gz	VPVLINZIRCOXJJ-YJBOKZPZSA-N	1	0	361.446	1.260	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCOc2ccccc21)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000261856753	811332476	/nfs/dbraw/zinc/33/24/76/811332476.db2.gz	XYHLAMUJLDGTBL-ROUUACIJSA-N	1	0	372.513	1.782	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCS(=O)(=O)C2)C[C@H]1C(F)(F)F	ZINC001112128289	811345078	/nfs/dbraw/zinc/34/50/78/811345078.db2.gz	BKSWWMIOAWZYDR-JHJVBQTASA-N	1	0	368.421	1.366	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1C(F)(F)F	ZINC001112128344	811356264	/nfs/dbraw/zinc/35/62/64/811356264.db2.gz	FKMDZWMLIWXCMV-JHJVBQTASA-N	1	0	368.421	1.366	20	30		FDEDRO
C[NH+]=C(NCc1nncn1-c1ccccc1)N1CCC(C(=O)OC)CC1	ZINC000262521936	811482611	/nfs/dbraw/zinc/48/26/11/811482611.db2.gz	FFHNIOAFNCVSEX-UHFFFAOYSA-N	1	0	356.430	1.228	20	30		FDEDRO
N#Cc1ccc([C@H](NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C(N)=O)cc1	ZINC000513448025	811523231	/nfs/dbraw/zinc/52/32/31/811523231.db2.gz	PTIHVFVEIYJSLE-PMACEKPBSA-N	1	0	364.449	1.441	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000280313153	811771652	/nfs/dbraw/zinc/77/16/52/811771652.db2.gz	XERSSHQGOAISHA-HNNXBMFYSA-N	1	0	367.449	1.996	20	30		FDEDRO
CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1	ZINC000419611136	812056673	/nfs/dbraw/zinc/05/66/73/812056673.db2.gz	BGLUWNZVZUPDRM-IBGZPJMESA-N	1	0	364.449	1.941	20	30		FDEDRO
C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1	ZINC000419640856	812067767	/nfs/dbraw/zinc/06/77/67/812067767.db2.gz	MMNVEGZNEMZWOC-GOSISDBHSA-N	1	0	362.433	1.662	20	30		FDEDRO
C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC2(C#N)CCC2)cc1F	ZINC000419805481	812206504	/nfs/dbraw/zinc/20/65/04/812206504.db2.gz	JRRNHBIOLMLUSE-UHFFFAOYSA-N	1	0	362.405	1.515	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCC[NH2+]Cc1cccnc1	ZINC000419846691	812229428	/nfs/dbraw/zinc/22/94/28/812229428.db2.gz	HOCCGWWGBGJYJO-UHFFFAOYSA-N	1	0	365.437	1.208	20	30		FDEDRO
C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000420102102	813457781	/nfs/dbraw/zinc/45/77/81/813457781.db2.gz	NEKUKGDKVNHPHS-KSSFIOAISA-N	1	0	370.453	1.042	20	30		FDEDRO
C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	ZINC000420105796	813461733	/nfs/dbraw/zinc/46/17/33/813461733.db2.gz	SXJTYNSMZUKVKY-BGTYHANMSA-N	1	0	354.454	1.399	20	30		FDEDRO
CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000420130415	813491192	/nfs/dbraw/zinc/49/11/92/813491192.db2.gz	WADBVBAOGWNZGG-MRXNPFEDSA-N	1	0	372.469	1.562	20	30		FDEDRO
C[C@@H]1CC[C@H](O)C[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000421008270	813913164	/nfs/dbraw/zinc/91/31/64/813913164.db2.gz	IBONRZUTCTVJDW-MNEFBYGVSA-N	1	0	374.460	1.380	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c(C#N)cn1CC	ZINC000421188093	813987849	/nfs/dbraw/zinc/98/78/49/813987849.db2.gz	WZTYMEVCUWHSQA-GXTWGEPZSA-N	1	0	359.430	1.724	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CCc3nnnn3CC2)cc1OCCCC#N	ZINC000421392444	814130313	/nfs/dbraw/zinc/13/03/13/814130313.db2.gz	BQMZQSXPWTXNFL-OAHLLOKOSA-N	1	0	356.430	1.859	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc2c(c1)CC(=O)N2C	ZINC000271798004	814479958	/nfs/dbraw/zinc/47/99/58/814479958.db2.gz	JKCJBDJHLQGZHJ-AWEZNQCLSA-N	1	0	353.426	1.512	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)[C@@H]2C1	ZINC000272311115	814644786	/nfs/dbraw/zinc/64/47/86/814644786.db2.gz	IUMMWJRIYQITIC-WMLDXEAASA-N	1	0	354.454	1.979	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C	ZINC000422432117	814820040	/nfs/dbraw/zinc/82/00/40/814820040.db2.gz	WSPCMMYATLPBSY-SUMDDJOVSA-N	1	0	355.482	1.889	20	30		FDEDRO
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CC[NH+](C2CCOCC2)CC1	ZINC000503408163	814828090	/nfs/dbraw/zinc/82/80/90/814828090.db2.gz	RPNARRNIMWLQHV-LJQANCHMSA-N	1	0	365.474	1.571	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3C[N@H+](CCCN4CCCC4=O)C[C@H]32)c[nH]1	ZINC001075703880	815601481	/nfs/dbraw/zinc/60/14/81/815601481.db2.gz	UILZIOPRWASWAW-WMLDXEAASA-N	1	0	355.442	1.045	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1	ZINC000505463313	815661745	/nfs/dbraw/zinc/66/17/45/815661745.db2.gz	AHKDELUZECPQPV-HNAYVOBHSA-N	1	0	367.490	1.721	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCn2c(C)csc2=O)C1	ZINC001028812704	815816313	/nfs/dbraw/zinc/81/63/13/815816313.db2.gz	LPVGMYULGCIGMP-XHSDSOJGSA-N	1	0	365.499	1.247	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCC[C@H](C)C1	ZINC001167956846	815830696	/nfs/dbraw/zinc/83/06/96/815830696.db2.gz	LEIWWDWODMGVKP-LNLFQRSKSA-N	1	0	365.518	1.712	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCCC[C@@H]1C	ZINC001167956941	815839933	/nfs/dbraw/zinc/83/99/33/815839933.db2.gz	PRXGFDWFWZFEHR-LNLFQRSKSA-N	1	0	365.518	1.855	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4cncnc4)[C@@H]3C2)cc1	ZINC001075713800	815868555	/nfs/dbraw/zinc/86/85/55/815868555.db2.gz	MGOXRSLHUFIJAM-QFBILLFUSA-N	1	0	363.421	1.725	20	30		FDEDRO
Cc1ccc(C(=O)NCC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cc1	ZINC000514709759	815945406	/nfs/dbraw/zinc/94/54/06/815945406.db2.gz	RPLDQZHBFPLXFN-UHFFFAOYSA-N	1	0	371.462	1.660	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]CCNC(=O)Cc2cccc(F)c2)cc1	ZINC000514825527	816001171	/nfs/dbraw/zinc/00/11/71/816001171.db2.gz	YMFZCNGXZRWLQC-GOSISDBHSA-N	1	0	371.412	1.386	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCN(c3ccccc3F)C2)nc1	ZINC000515637933	816354286	/nfs/dbraw/zinc/35/42/86/816354286.db2.gz	JFNZBXPFYOOXAB-HNNXBMFYSA-N	1	0	374.441	1.735	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@]2(C)CNC(=O)C2)C1	ZINC001087466557	816708036	/nfs/dbraw/zinc/70/80/36/816708036.db2.gz	YFJDKZOZCDEWML-DBXWQHBBSA-N	1	0	371.456	1.649	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)ncc1C#N	ZINC000516313734	816760074	/nfs/dbraw/zinc/76/00/74/816760074.db2.gz	SJJZOYZQOGKOTH-UHFFFAOYSA-N	1	0	369.400	1.717	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C(F)(F)F)nn2C)CC1	ZINC000664596869	816848638	/nfs/dbraw/zinc/84/86/38/816848638.db2.gz	PXTHJKJRIJCOLP-UHFFFAOYSA-N	1	0	359.352	1.144	20	30		FDEDRO
N#Cc1ccc([C@@H](C(N)=O)N2CCC(CCC[NH+]3CCOCC3)CC2)cc1	ZINC000506006482	816973968	/nfs/dbraw/zinc/97/39/68/816973968.db2.gz	HGSWORPQGGAPDJ-FQEVSTJZSA-N	1	0	370.497	1.909	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CCC[N@@H+](CCOC)CC3)cc2C1=O	ZINC000516800882	817027861	/nfs/dbraw/zinc/02/78/61/817027861.db2.gz	ZNRKFERHFWFGGO-UHFFFAOYSA-N	1	0	371.437	1.263	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(NC(=O)CSc2ccc(C#N)cc2)CC1	ZINC000517574250	817489599	/nfs/dbraw/zinc/48/95/99/817489599.db2.gz	QZBUOBYTWMBHDK-UHFFFAOYSA-N	1	0	374.510	1.709	20	30		FDEDRO
CCC(=O)N1CC[C@H](NC(NCCN2c3ccccc3C[C@H]2C)=[NH+]C)C1	ZINC000261951660	817572686	/nfs/dbraw/zinc/57/26/86/817572686.db2.gz	HPYRMFMSGOIFPU-WBVHZDCISA-N	1	0	357.502	1.614	20	30		FDEDRO
C[NH+]=C(NCc1ccc(N2CCOCC2)nc1)N1CC[C@]2(CCOC2)C1	ZINC000261957670	817672581	/nfs/dbraw/zinc/67/25/81/817672581.db2.gz	JGYWLZJPDYMUFB-IBGZPJMESA-N	1	0	359.474	1.106	20	30		FDEDRO
COC(=O)c1c(C)cccc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000438749116	817692115	/nfs/dbraw/zinc/69/21/15/817692115.db2.gz	DSKINLVVHLLGKP-UHFFFAOYSA-N	1	0	374.441	1.414	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)CC2CC2)CC1	ZINC000983477254	817894404	/nfs/dbraw/zinc/89/44/04/817894404.db2.gz	PQWVKENJNHFZAP-APWZRJJASA-N	1	0	359.514	1.875	20	30		FDEDRO
CC[NH+]=C(NCc1ccnc(N2CCOCC2)c1)N1CC[C@@]2(CCOC2)C1	ZINC000261996004	818004530	/nfs/dbraw/zinc/00/45/30/818004530.db2.gz	SLDAZRSXFOVDEB-HXUWFJFHSA-N	1	0	373.501	1.496	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1	ZINC001112146666	818035787	/nfs/dbraw/zinc/03/57/87/818035787.db2.gz	HYBVEWABMJZRGM-BFHYXJOUSA-N	1	0	361.408	1.636	20	30		FDEDRO
CN(C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCC[N@H+](C)C1	ZINC000894424357	818039131	/nfs/dbraw/zinc/03/91/31/818039131.db2.gz	YVVMEDFSJCLAIF-QZTJIDSGSA-N	1	0	369.469	1.395	20	30		FDEDRO
COc1ccc([C@@H]2CCN(CC#N)C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2C)cc1	ZINC001087473135	818199325	/nfs/dbraw/zinc/19/93/25/818199325.db2.gz	OXKOZQPYEUMUDK-FHWLQOOXSA-N	1	0	356.470	1.587	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1	ZINC001087474655	818270597	/nfs/dbraw/zinc/27/05/97/818270597.db2.gz	QQDQAYAWCKWXMA-WDSOQIARSA-N	1	0	371.481	1.634	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)c2cn[nH]c2)CC1	ZINC000983639726	818333659	/nfs/dbraw/zinc/33/36/59/818333659.db2.gz	MZSHDSHMFQANFS-QAPCUYQASA-N	1	0	371.485	1.112	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2nnc[nH]2)C1	ZINC001087476096	818344939	/nfs/dbraw/zinc/34/49/39/818344939.db2.gz	SRZIYDQTXNGRSJ-IRXDYDNUSA-N	1	0	355.442	1.977	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1	ZINC000366712793	818511294	/nfs/dbraw/zinc/51/12/94/818511294.db2.gz	IPWFAXNAZOHVOR-ZRNYENFQSA-N	1	0	373.497	1.902	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CCC[N@@H+]2C)cn1	ZINC000983674336	818517091	/nfs/dbraw/zinc/51/70/91/818517091.db2.gz	DRJOSOCXVZAPSD-AYOQOUSVSA-N	1	0	368.481	1.514	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1	ZINC000983697588	818596901	/nfs/dbraw/zinc/59/69/01/818596901.db2.gz	MSRFAKAMYGLVRW-PBHICJAKSA-N	1	0	371.485	1.585	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnc(CC)n2C)C1	ZINC000983697808	818597625	/nfs/dbraw/zinc/59/76/25/818597625.db2.gz	FLPAYCCTYCSCRB-FPCVCCKLSA-N	1	0	361.490	1.343	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ncnn2CCC)C1	ZINC000983698066	818599029	/nfs/dbraw/zinc/59/90/29/818599029.db2.gz	KBFYCLPCTAZPGS-VQHPVUNQSA-N	1	0	361.490	1.654	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2CN(CC(=O)Nc3ccc(O)cc3)C[C@H]21	ZINC001075771176	819017791	/nfs/dbraw/zinc/01/77/91/819017791.db2.gz	UVIABIINAYCDHZ-MAUKXSAKSA-N	1	0	353.422	1.277	20	30		FDEDRO
CC#CCNC(=O)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1	ZINC000440600390	819022526	/nfs/dbraw/zinc/02/25/26/819022526.db2.gz	AZZDOODFFCOQGH-UHFFFAOYSA-N	1	0	370.453	1.579	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4ncc[nH]4)[C@@H]3C2)cc1	ZINC001075771308	819028665	/nfs/dbraw/zinc/02/86/65/819028665.db2.gz	XEVILLQTWFOOJK-DOTOQJQBSA-N	1	0	351.410	1.659	20	30		FDEDRO
N#Cc1ccccc1OC1CCC(NC(=O)NC[C@@H]2C[NH2+]CCCO2)CC1	ZINC000520374673	819322899	/nfs/dbraw/zinc/32/28/99/819322899.db2.gz	SBYULOYVGAYRMK-ABHNRTSZSA-N	1	0	372.469	1.926	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C#CC2CC2)[C@H](CNC(=O)[C@@]23CC[N@H+](C2)CCC3)C1	ZINC000983788668	819512973	/nfs/dbraw/zinc/51/29/73/819512973.db2.gz	UXCKVFVKQGMDDQ-MMOPVJDHSA-N	1	0	357.498	1.629	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](CNC(=O)NCc2ccnc(N3CCOCC3)c2)C1	ZINC000328649036	819522284	/nfs/dbraw/zinc/52/22/84/819522284.db2.gz	APMFOGYJZDQJGE-QGZVFWFLSA-N	1	0	361.490	1.654	20	30		FDEDRO
C[C@H](O)CN1CCN(C(=O)Nc2cn(Cc3ccccc3)nn2)C[C@@H]1C	ZINC000328743147	819542194	/nfs/dbraw/zinc/54/21/94/819542194.db2.gz	NFPFXLOCESNNCE-GJZGRUSLSA-N	1	0	358.446	1.259	20	30		FDEDRO
O=C(N[C@H]1CCC(=O)NC12CCC2)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000328733854	819549572	/nfs/dbraw/zinc/54/95/72/819549572.db2.gz	HZSIMJRBYGMMJY-CVEARBPZSA-N	1	0	364.490	1.986	20	30		FDEDRO
O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)[C@@H]1CCc2n[nH]nc2C1	ZINC000328956583	819588920	/nfs/dbraw/zinc/58/89/20/819588920.db2.gz	JERGHCWJRCHTJL-PMPSAXMXSA-N	1	0	355.442	1.502	20	30		FDEDRO
CC[NH+]1CCN(c2ccccc2NC(=O)N2CCN3C(=O)CC[C@@H]3C2)CC1	ZINC000328932553	819596143	/nfs/dbraw/zinc/59/61/43/819596143.db2.gz	BNWZDDZWIAKMLL-MRXNPFEDSA-N	1	0	371.485	1.681	20	30		FDEDRO
Cc1noc([C@@H]2CN(C(=O)NCC3([NH+](C)C)CCCCC3)CCN2C)n1	ZINC000328962410	819600434	/nfs/dbraw/zinc/60/04/34/819600434.db2.gz	LBWBXCSGFKDQGG-HNNXBMFYSA-N	1	0	364.494	1.845	20	30		FDEDRO
CC(C)C(=O)NC1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC1	ZINC000330493273	819615023	/nfs/dbraw/zinc/61/50/23/819615023.db2.gz	SIXFJVYPMTYKRH-UHFFFAOYSA-N	1	0	367.538	1.163	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN(C)CC(=O)NC2CC[NH+](CC)CC2)c1	ZINC000052130325	819647701	/nfs/dbraw/zinc/64/77/01/819647701.db2.gz	ZVKXJEBMODOXBL-UHFFFAOYSA-N	1	0	356.470	1.139	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CCN(CC(=O)N(C)C)CC2)[C@@H](C)C1	ZINC000331317390	819675512	/nfs/dbraw/zinc/67/55/12/819675512.db2.gz	JNUSMMXHZQVCLJ-RDJZCZTQSA-N	1	0	367.538	1.115	20	30		FDEDRO
N#CCC(=O)N1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1	ZINC000895068084	819860919	/nfs/dbraw/zinc/86/09/19/819860919.db2.gz	IHVXKHNTQSTCDD-UHFFFAOYSA-N	1	0	356.470	1.719	20	30		FDEDRO
CCN1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1=O	ZINC000459047764	819900649	/nfs/dbraw/zinc/90/06/49/819900649.db2.gz	NWEWOUOPKOGJKY-QGZVFWFLSA-N	1	0	357.458	1.252	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCc4ccccc4C3)C[C@@H]2O)[nH]1	ZINC001083413974	820136432	/nfs/dbraw/zinc/13/64/32/820136432.db2.gz	GGOLKHBRMRYMHU-KPOBHBOGSA-N	1	0	364.449	1.466	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1	ZINC000665183123	820547425	/nfs/dbraw/zinc/54/74/25/820547425.db2.gz	UYIARDWPATWHFS-FHWLQOOXSA-N	1	0	359.470	1.644	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H](O)COC)C2)CCC1	ZINC001112162274	820727198	/nfs/dbraw/zinc/72/71/98/820727198.db2.gz	NGCZMTRHZVKKDZ-BFHYXJOUSA-N	1	0	364.408	1.719	20	30		FDEDRO
C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CCN1C	ZINC000442293175	821125666	/nfs/dbraw/zinc/12/56/66/821125666.db2.gz	PCEHUBDILTZNND-CABCVRRESA-N	1	0	358.442	1.859	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H](C)n2cncn2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087546671	821270469	/nfs/dbraw/zinc/27/04/69/821270469.db2.gz	ADTZPMMKZULKNR-JCGIZDLHSA-N	1	0	352.442	1.880	20	30		FDEDRO
C[NH2+]C[C@@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000521590784	821305960	/nfs/dbraw/zinc/30/59/60/821305960.db2.gz	IOXQOELIFFTQJT-ROUUACIJSA-N	1	0	369.469	1.300	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1	ZINC000984219762	821527788	/nfs/dbraw/zinc/52/77/88/821527788.db2.gz	HMSYHVMUVJWMLR-KSZLIROESA-N	1	0	363.502	1.513	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CC(=O)N(CC)C2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087592163	821634052	/nfs/dbraw/zinc/63/40/52/821634052.db2.gz	DDCCTRVQHSWNGV-GBESFXJTSA-N	1	0	368.481	1.896	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCOCC2)[C@@H]1CC	ZINC001087607185	821715101	/nfs/dbraw/zinc/71/51/01/821715101.db2.gz	PRGKRGZOKHBEQN-ZCNNSNEGSA-N	1	0	361.530	1.870	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cnc[nH]c2=O)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087617142	821762184	/nfs/dbraw/zinc/76/21/84/821762184.db2.gz	JKUSYDDJSYFDAN-ZWKOTPCHSA-N	1	0	350.422	1.817	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCNC(=O)C2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087622143	821778983	/nfs/dbraw/zinc/77/89/83/821778983.db2.gz	XKPNDCVQHZVLKJ-JQVVWYNYSA-N	1	0	367.493	1.924	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)CN2CCCNC2=O)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087639693	821907028	/nfs/dbraw/zinc/90/70/28/821907028.db2.gz	MGPNLIWEVQAKDQ-ZWKOTPCHSA-N	1	0	369.469	1.443	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000984251786	821976789	/nfs/dbraw/zinc/97/67/89/821976789.db2.gz	GCWSYNZTWMDJNU-HSALFYBXSA-N	1	0	371.525	1.827	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1	ZINC000984306016	822291101	/nfs/dbraw/zinc/29/11/01/822291101.db2.gz	JCRNFTVJAHCCDQ-BBWFWOEESA-N	1	0	363.502	1.511	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3cscn3)[C@H]2CC)C1=O	ZINC001087751279	822363099	/nfs/dbraw/zinc/36/30/99/822363099.db2.gz	GFRPHVOXBYMMEK-ARFHVFGLSA-N	1	0	362.499	1.442	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCN2CCCC2=O)[C@@H]1CC	ZINC001087758682	822372132	/nfs/dbraw/zinc/37/21/32/822372132.db2.gz	GNZVEIMCQJDTEW-BMFAXAFESA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCc2ccnn2C)[C@@H]1CC	ZINC001087758873	822372439	/nfs/dbraw/zinc/37/24/39/822372439.db2.gz	QGOZAPJNNLZYHO-OKYOBFRVSA-N	1	0	360.502	1.913	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3c(C)n[nH]c3C)[C@H]2CC)C1=O	ZINC001087764970	822400126	/nfs/dbraw/zinc/40/01/26/822400126.db2.gz	SPHBACFLZCUOHG-XHSDSOJGSA-N	1	0	359.474	1.396	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)[C@H]1CC	ZINC001087778792	822419584	/nfs/dbraw/zinc/41/95/84/822419584.db2.gz	SMCAWQKNMSMDMM-SOLBZPMBSA-N	1	0	361.490	1.864	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCc2ccncc2)C[C@H]1C(F)(F)F	ZINC001112167856	822458811	/nfs/dbraw/zinc/45/88/11/822458811.db2.gz	JILSIYCNEPGPNU-NUEKZKHPSA-N	1	0	369.387	1.989	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCN(C(C)=O)C2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087812004	822475981	/nfs/dbraw/zinc/47/59/81/822475981.db2.gz	RUIVXMLCLGZCQU-QHAWAJNXSA-N	1	0	367.493	1.876	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(=O)n(C)n2)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087819877	822498503	/nfs/dbraw/zinc/49/85/03/822498503.db2.gz	WPUOFLUPNHGXST-GOEBONIOSA-N	1	0	371.466	1.496	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)Cn2cncn2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001087819951	822498784	/nfs/dbraw/zinc/49/87/84/822498784.db2.gz	ARPDGGYQTLIHIX-ZWKOTPCHSA-N	1	0	368.441	1.350	20	30		FDEDRO
N#Cc1ccc([C@@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)C(N)=O)cc1	ZINC000522374404	822525596	/nfs/dbraw/zinc/52/55/96/822525596.db2.gz	VQRUEOAIHWCYNS-QGZVFWFLSA-N	1	0	352.394	1.572	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(CC)CCO2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087836932	822547125	/nfs/dbraw/zinc/54/71/25/822547125.db2.gz	NFUJDOPYWAIKII-XUVXKRRUSA-N	1	0	370.497	1.748	20	30		FDEDRO
C#C[C@@H]([NH2+]C1CCN(CCNC(=O)OC(C)(C)C)CC1)C1CCOCC1	ZINC000895435386	822595302	/nfs/dbraw/zinc/59/53/02/822595302.db2.gz	IFBZVJCWHRTAFM-GOSISDBHSA-N	1	0	365.518	1.994	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cccnc4)C[C@@H]3C2)C1=O	ZINC001087867084	822641805	/nfs/dbraw/zinc/64/18/05/822641805.db2.gz	YDIXAELEZCJCSI-FGTMMUONSA-N	1	0	354.454	1.262	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4COCCO4)C[C@@H]3C2)s1	ZINC001087893473	822745409	/nfs/dbraw/zinc/74/54/09/822745409.db2.gz	JUNCBNGNPOCJCX-JKIFEVAISA-N	1	0	361.467	1.315	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cncs4)C[C@@H]3C2)C1=O	ZINC001087899890	822763816	/nfs/dbraw/zinc/76/38/16/822763816.db2.gz	PDDNIRJFNJRFIL-QLFBSQMISA-N	1	0	360.483	1.324	20	30		FDEDRO
C[N@@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001029841051	828491743	/nfs/dbraw/zinc/49/17/43/828491743.db2.gz	IZMBLSUXXPCWIG-JLZZUVOBSA-N	1	0	358.417	1.099	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc4c(c3)nnn4C)CC[C@@H]2C1	ZINC001087911002	823770477	/nfs/dbraw/zinc/77/04/77/823770477.db2.gz	GGRLYWXUUBYOKM-BMFZPTHFSA-N	1	0	352.442	1.408	20	30		FDEDRO
C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1	ZINC001088329707	828586624	/nfs/dbraw/zinc/58/66/24/828586624.db2.gz	FJOYDDSSJNNLSH-YQVWRLOYSA-N	1	0	358.486	1.975	20	30		FDEDRO
Cc1c(C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cnn1CCC#N	ZINC000896023217	823943933	/nfs/dbraw/zinc/94/39/33/823943933.db2.gz	GQVVLQRFPUWKNI-IRXDYDNUSA-N	1	0	372.517	1.736	20	30		FDEDRO
N#Cc1ccccc1N1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1	ZINC000896049653	823965663	/nfs/dbraw/zinc/96/56/63/823965663.db2.gz	PGNMDNWLPBEIST-UHFFFAOYSA-N	1	0	354.454	1.318	20	30		FDEDRO
Cc1nnsc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C1	ZINC001087939036	824018996	/nfs/dbraw/zinc/01/89/96/824018996.db2.gz	WPGZMLJUQPICJM-OLZOCXBDSA-N	1	0	356.455	1.640	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cc4ccc(C)o4)C[C@@H]3C2)C1=O	ZINC001087939466	824020634	/nfs/dbraw/zinc/02/06/34/824020634.db2.gz	VFPSOHLFEAXBTG-AOIWGVFYSA-N	1	0	371.481	1.698	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(C(=O)NC3CCN(c4ccccc4C#N)CC3)[C@H]2C1	ZINC000896102496	824030851	/nfs/dbraw/zinc/03/08/51/824030851.db2.gz	CGYSPHDHHUWFPL-APWZRJJASA-N	1	0	353.470	1.873	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4coc(C)n4)C[C@@H]3C2)C1=O	ZINC001087944563	824048075	/nfs/dbraw/zinc/04/80/75/824048075.db2.gz	FYCKDHXMULAEHP-VYDXJSESSA-N	1	0	358.442	1.164	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@@H]1CCN(c2c(F)cccc2F)C1)=[NH+]C1CC1	ZINC000262257001	824077637	/nfs/dbraw/zinc/07/76/37/824077637.db2.gz	CYVIBYPEVUSESA-CYBMUJFWSA-N	1	0	365.428	1.329	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4cncnc4)C[C@@H]3C2)s1	ZINC001087949383	824086238	/nfs/dbraw/zinc/08/62/38/824086238.db2.gz	YMVSJSPMIDXJDL-CVEARBPZSA-N	1	0	367.478	1.933	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cc[nH]c4CC)C[C@@H]3C2)C1=O	ZINC001087955402	824143246	/nfs/dbraw/zinc/14/32/46/824143246.db2.gz	LYEWWRCLMAKFMP-JTDSTZFVSA-N	1	0	370.497	1.758	20	30		FDEDRO
Cn1cnc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cc(C#N)ccc4F)CC[C@@H]3C2)n1	ZINC001087957330	824153353	/nfs/dbraw/zinc/15/33/53/824153353.db2.gz	LWGCETBHMNVSJW-ZBFHGGJFSA-N	1	0	368.416	1.420	20	30		FDEDRO
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NC2(C#N)CC[NH+](C)CC2)C1	ZINC000525457083	828621842	/nfs/dbraw/zinc/62/18/42/828621842.db2.gz	SYPUMCAGIDFWEH-INIZCTEOSA-N	1	0	363.506	1.558	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)C[C@@H]2C1	ZINC001087977480	824326593	/nfs/dbraw/zinc/32/65/93/824326593.db2.gz	IYZWXXMGXJVFAF-QRVBRYPASA-N	1	0	359.514	1.991	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCCNC3=O)CC[C@@H]2C1	ZINC001087978795	824339990	/nfs/dbraw/zinc/33/99/90/824339990.db2.gz	UJADXGZALLHVAD-ILXRZTDVSA-N	1	0	353.894	1.824	20	30		FDEDRO
CCc1oncc1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC#CCOC)C1	ZINC001112172484	824485189	/nfs/dbraw/zinc/48/51/89/824485189.db2.gz	HJROBHAKHVKXOH-CHWSQXEVSA-N	1	0	359.348	1.479	20	30		FDEDRO
Cn1nccc1[C@H]1[C@H](CNC(=O)c2cnn3ncccc23)CCC[N@@H+]1C	ZINC000329024042	824536141	/nfs/dbraw/zinc/53/61/41/824536141.db2.gz	URMJZFKMACCNJI-SUMWQHHRSA-N	1	0	353.430	1.851	20	30		FDEDRO
CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2=O)C[C@H]1C	ZINC000329037793	824540360	/nfs/dbraw/zinc/54/03/60/824540360.db2.gz	NHKUZRCOPHVGNR-IJEWVQPXSA-N	1	0	362.478	1.244	20	30		FDEDRO
COc1ccc(C#N)cc1CN1C[C@@H](NC(=O)c2ccc(F)cn2)[C@@H](O)C1	ZINC001083421100	824576905	/nfs/dbraw/zinc/57/69/05/824576905.db2.gz	JSJIZLHIBMKSSQ-SJORKVTESA-N	1	0	370.384	1.076	20	30		FDEDRO
Cc1noc([C@@H]2CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)C2)n1	ZINC000329099226	824582697	/nfs/dbraw/zinc/58/26/97/824582697.db2.gz	ZBAUIMAYUIVDPK-FVQBIDKESA-N	1	0	363.462	1.459	20	30		FDEDRO
Cc1ccnc(N2CCN(C(=O)N[C@@H]3CCO[C@]4(CCOC4)C3)CC2)c1	ZINC000329100124	824586063	/nfs/dbraw/zinc/58/60/63/824586063.db2.gz	DLQBAERZWLRMAT-VQIMIIECSA-N	1	0	360.458	1.764	20	30		FDEDRO
O=C(NC1CC[NH+](Cc2ccncc2)CC1)N[C@@H]1CCO[C@@]2(CCOC2)C1	ZINC000329105349	824590647	/nfs/dbraw/zinc/59/06/47/824590647.db2.gz	HBGBIJPOKXZHFX-QUCCMNQESA-N	1	0	374.485	1.888	20	30		FDEDRO
Cc1noc([C@H]2CN(C(=O)NC3CC[NH+](CC4CC4)CC3)CCN2C)n1	ZINC000329141781	824625375	/nfs/dbraw/zinc/62/53/75/824625375.db2.gz	ULJHXBVHTZTVMR-MRXNPFEDSA-N	1	0	362.478	1.455	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2CCOC[C@@H]2c2c(C)nn(C)c2C)CC1	ZINC000329152485	824632496	/nfs/dbraw/zinc/63/24/96/824632496.db2.gz	SYIMXSJJAPLACC-QGZVFWFLSA-N	1	0	363.506	1.851	20	30		FDEDRO
C[NH+]1CCC2(CCCN2C(=O)CNC(=O)NCc2ccc(F)cc2)CC1	ZINC000329171424	824645910	/nfs/dbraw/zinc/64/59/10/824645910.db2.gz	KMYZUTNBVXRPAS-UHFFFAOYSA-N	1	0	362.449	1.916	20	30		FDEDRO
O=C(Nc1ccccc1CN1CCNC1=O)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000329291095	824719990	/nfs/dbraw/zinc/71/99/90/824719990.db2.gz	QSJSEXGPXUJRFD-MRXNPFEDSA-N	1	0	355.442	1.908	20	30		FDEDRO
O=C(N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1)N1CC[N@@H+]2CCC[C@@H]2C1	ZINC000329313461	824730573	/nfs/dbraw/zinc/73/05/73/824730573.db2.gz	GULLYIROIBWSAY-LMMKCTJWSA-N	1	0	369.469	1.580	20	30		FDEDRO
C[C@H](CNC(=O)N1CCCC[C@@H]1c1ccnn1C)C[NH+]1CCN(C)CC1	ZINC000329347579	824748607	/nfs/dbraw/zinc/74/86/07/824748607.db2.gz	VOQLEXXFZUMURS-SJLPKXTDSA-N	1	0	362.522	1.745	20	30		FDEDRO
CCN1CCOC[C@@H]1C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1	ZINC000329345896	824748683	/nfs/dbraw/zinc/74/86/83/824748683.db2.gz	CAFFUTTVLGYDJE-QGZVFWFLSA-N	1	0	361.490	1.401	20	30		FDEDRO
CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)C[C@H]1C	ZINC000329356990	824752966	/nfs/dbraw/zinc/75/29/66/824752966.db2.gz	WKXRXEJSJLKUNY-IXDOHACOSA-N	1	0	365.522	1.995	20	30		FDEDRO
CC(C)[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CC1	ZINC000329535428	824861875	/nfs/dbraw/zinc/86/18/75/824861875.db2.gz	ZHOWRHGLVVHFNV-FUHWJXTLSA-N	1	0	362.522	1.743	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C([O-])=[NH+][C@@H]1CCc2nc[nH]c2C1	ZINC000329543946	824868204	/nfs/dbraw/zinc/86/82/04/824868204.db2.gz	FRISHGGEFQUITM-CHWSQXEVSA-N	1	0	366.429	1.053	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCS3(=O)=O)C[C@@H]2C1	ZINC001087992528	824954471	/nfs/dbraw/zinc/95/44/71/824954471.db2.gz	YRMQNCVLMAQZOA-IXDOHACOSA-N	1	0	354.516	1.700	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](Cn3cccn3)N(C)C)C[C@@H]2C1	ZINC001087994179	825003769	/nfs/dbraw/zinc/00/37/69/825003769.db2.gz	VHGIXMNQFWDWNZ-QYZOEREBSA-N	1	0	359.518	1.560	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OCCO[C@@H]3c3ccccc3)C[C@@H]2C1	ZINC001087999839	825056899	/nfs/dbraw/zinc/05/68/99/825056899.db2.gz	DEMYLVFGYKOMCS-PLACYPQZSA-N	1	0	368.477	1.947	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCNC3=O)C[C@@H]2C1	ZINC001088002909	825114162	/nfs/dbraw/zinc/11/41/62/825114162.db2.gz	YIZVDXMYWPVLHR-QYZOEREBSA-N	1	0	366.465	1.365	20	30		FDEDRO
CC1(C)CCC[N@H+](CCNC(=O)C(=O)N2CCc3ccc(C#N)cc32)C1	ZINC000447423847	828744438	/nfs/dbraw/zinc/74/44/38/828744438.db2.gz	SLEYVOUYWMCVIZ-UHFFFAOYSA-N	1	0	354.454	1.686	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3c[nH]cc3C)[C@H]2CC)CC1	ZINC000984892251	825256479	/nfs/dbraw/zinc/25/64/79/825256479.db2.gz	VCSPJJJVWKKMBA-RBUKOAKNSA-N	1	0	370.497	1.778	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H]3C[N@H+]([C@@H](C)C(N)=O)CC[C@@H]3C2)cc1	ZINC001088016858	825276169	/nfs/dbraw/zinc/27/61/69/825276169.db2.gz	ZGBAJKLMDBBQEM-UAGQMJEPSA-N	1	0	357.454	1.519	20	30		FDEDRO
O=C(C[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1)NCC1(N2CCOCC2)CCCCC1	ZINC000329677644	825284938	/nfs/dbraw/zinc/28/49/38/825284938.db2.gz	WRIHMIJTWIYVQW-BZSNNMDCSA-N	1	0	365.518	1.681	20	30		FDEDRO
C[NH+]=C(NCCNc1cnccn1)N1CCN(c2cccc(Cl)c2)CC1	ZINC000262591675	828768933	/nfs/dbraw/zinc/76/89/33/828768933.db2.gz	VCZVFRSENKSTPQ-UHFFFAOYSA-N	1	0	373.892	1.940	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C)N1CCOCC1	ZINC000329738109	825408816	/nfs/dbraw/zinc/40/88/16/825408816.db2.gz	UBTQKGPLWHPAGM-KZNAEPCWSA-N	1	0	368.522	1.052	20	30		FDEDRO
C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCN3C(=O)NC[C@H]3C2)C1	ZINC000329769971	825440907	/nfs/dbraw/zinc/44/09/07/825440907.db2.gz	IHXQJMDXSVJDAX-PVAVHDDUSA-N	1	0	357.458	1.650	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2snnc2C)C1	ZINC000984915837	825444495	/nfs/dbraw/zinc/44/44/95/825444495.db2.gz	BZBGPGNQMABFSD-YXWQFLTLSA-N	1	0	350.488	1.812	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(OC)cc3)C[C@@H]2C1	ZINC001088030774	825447256	/nfs/dbraw/zinc/44/72/56/825447256.db2.gz	ILEKRJMYRNHURT-CVEARBPZSA-N	1	0	357.454	1.990	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc4sccn4c3=O)C[C@@H]2C1	ZINC001088032562	825464063	/nfs/dbraw/zinc/46/40/63/825464063.db2.gz	UJWCJYIWRFNKSZ-KGLIPLIRSA-N	1	0	356.451	1.173	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCn2ncnc2C1	ZINC000329933394	825550182	/nfs/dbraw/zinc/55/01/82/825550182.db2.gz	PZZARBJZIBUORV-NVXWUHKLSA-N	1	0	354.458	1.918	20	30		FDEDRO
O=C(NC[C@H]1COc2ccccc2O1)N1CC[NH+](C2CCOCC2)CC1	ZINC000329945075	825558007	/nfs/dbraw/zinc/55/80/07/825558007.db2.gz	FNQRERGWPAOQNX-INIZCTEOSA-N	1	0	361.442	1.537	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C([O-])=[NH+]C[C@H]1CCc2nccn2C1	ZINC000329961694	825568005	/nfs/dbraw/zinc/56/80/05/825568005.db2.gz	RSXYSWBNNFXYSO-HZPDHXFCSA-N	1	0	361.490	1.545	20	30		FDEDRO
C=C(Cl)CN1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@@H]2C1	ZINC001088047037	825590193	/nfs/dbraw/zinc/59/01/93/825590193.db2.gz	BVTDGJITLJKPLC-ASLPWWTFSA-N	1	0	365.905	1.382	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(Cn4ccnn4)o3)C[C@@H]2C1	ZINC001088049572	825594492	/nfs/dbraw/zinc/59/44/92/825594492.db2.gz	OCQRWWRLTHMALR-CVEARBPZSA-N	1	0	353.426	1.337	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cncc(-n4ccnn4)c3)C[C@@H]2C1	ZINC001088052619	825635574	/nfs/dbraw/zinc/63/55/74/825635574.db2.gz	AAZPXRDZTYSQKO-WBVHZDCISA-N	1	0	352.442	1.632	20	30		FDEDRO
CCn1cc([C@@H]2CN(CC(=O)NC3CC[NH+](C4CC4)CC3)CCO2)cn1	ZINC000330101383	825639205	/nfs/dbraw/zinc/63/92/05/825639205.db2.gz	FMFYHPLDEGLGKT-SFHVURJKSA-N	1	0	361.490	1.860	20	30		FDEDRO
CC(=O)N1CCN(C(=O)NCC2(N3CCOCC3)CCCCC2)[C@H](C)C1	ZINC000330119111	825651551	/nfs/dbraw/zinc/65/15/51/825651551.db2.gz	ZJBLJNQGIKOXTC-MRXNPFEDSA-N	1	0	366.506	1.488	20	30		FDEDRO
Cn1ncc2c1CCC[C@@H]2NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000330180631	825708687	/nfs/dbraw/zinc/70/86/87/825708687.db2.gz	NLKBHILVMJBTED-CGTJXYLNSA-N	1	0	361.490	1.679	20	30		FDEDRO
CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cn1	ZINC000330186821	825711537	/nfs/dbraw/zinc/71/15/37/825711537.db2.gz	SKSSKZLLORMAAQ-INMHGKMJSA-N	1	0	360.462	1.757	20	30		FDEDRO
O=C(NCCN1CCN(c2ncccn2)CC1)C1CC[NH+](C2CC2)CC1	ZINC000330204575	825732209	/nfs/dbraw/zinc/73/22/09/825732209.db2.gz	BSQZEAPYSYAEBR-UHFFFAOYSA-N	1	0	358.490	1.430	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CCOC4(CCC4)C3)cn2)CC1	ZINC000330215319	825737291	/nfs/dbraw/zinc/73/72/91/825737291.db2.gz	MIHFXTPLNYFBKM-KRWDZBQOSA-N	1	0	373.501	1.939	20	30		FDEDRO
C[N@@H+]1CC[C@]2(CCN(C(=O)N[C@H]3CCCN(C(=O)N4CCCC4)C3)C2)C1	ZINC000330234849	825748904	/nfs/dbraw/zinc/74/89/04/825748904.db2.gz	YNMMQNMRLMREHC-LPHOPBHVSA-N	1	0	363.506	1.608	20	30		FDEDRO
CC(C)N1C[C@H](NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC1=O	ZINC000330265469	825780074	/nfs/dbraw/zinc/78/00/74/825780074.db2.gz	ZHNZPJQNAXTSMD-MRXNPFEDSA-N	1	0	366.506	1.487	20	30		FDEDRO
Cn1cc(C[N@@H+]2CCCN(C([O-])=[NH+][C@@H]3CCn4ccnc4C3)CC2)cn1	ZINC000330274104	825784954	/nfs/dbraw/zinc/78/49/54/825784954.db2.gz	JOWXCDNUYIDXMH-MRXNPFEDSA-N	1	0	357.462	1.053	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)c2c(C)nn(C)c2-n2ccnc2C)CC1	ZINC000330292481	825816383	/nfs/dbraw/zinc/81/63/83/825816383.db2.gz	HGQNPRUYZUGTJA-UHFFFAOYSA-N	1	0	360.462	1.638	20	30		FDEDRO
CCn1cnc2c(c1=O)CC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C2	ZINC000280988165	825845903	/nfs/dbraw/zinc/84/59/03/825845903.db2.gz	LOFDNQYDUOVZST-UHFFFAOYSA-N	1	0	351.410	1.522	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](OCc3ccncc3)C2)cc1	ZINC000281125602	825893510	/nfs/dbraw/zinc/89/35/10/825893510.db2.gz	XWRFPJIHDAATGX-QUCCMNQESA-N	1	0	353.422	1.984	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@H+](C)[C@H]2CCN(CC=C)C2=O)c(OC)c1	ZINC000281173944	825901354	/nfs/dbraw/zinc/90/13/54/825901354.db2.gz	ALNIUXZZRANWDA-ROUUACIJSA-N	1	0	374.481	1.882	20	30		FDEDRO
COc1cc(OC)c2ncc(C#N)c(N3CCC[N@H+](CCO)CC3)c2c1	ZINC000281156151	825903432	/nfs/dbraw/zinc/90/34/32/825903432.db2.gz	KZNICVGTPNZZQQ-UHFFFAOYSA-N	1	0	356.426	1.628	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+](C)C[C@H](O)Cn2cnc3cc(C)c(C)cc32)C1=O	ZINC000281428914	825954935	/nfs/dbraw/zinc/95/49/35/825954935.db2.gz	SHGQYAOBVBQXBA-WMZOPIPTSA-N	1	0	356.470	1.733	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H](C)C3CC3)[C@@H]2CC)CC1	ZINC000984988519	826002009	/nfs/dbraw/zinc/00/20/09/826002009.db2.gz	IMDYRAATNAMGQW-AYOQOUSVSA-N	1	0	359.514	1.873	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3CC)[C@@H]2CC)CC1	ZINC000984988540	826002711	/nfs/dbraw/zinc/00/27/11/826002711.db2.gz	ISKQQZIKOAXILB-OQIJWPOYSA-N	1	0	359.514	1.873	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000984989490	826008133	/nfs/dbraw/zinc/00/81/33/826008133.db2.gz	DBTTVJYIIHPWQI-JQHSSLGASA-N	1	0	371.485	1.870	20	30		FDEDRO
CN1C(=O)CC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)CC[C@@H]2C1	ZINC001088078200	826075744	/nfs/dbraw/zinc/07/57/44/826075744.db2.gz	SBXKWOUQXIQJSD-CEXWTWQISA-N	1	0	366.465	1.459	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1	ZINC000281773834	826223724	/nfs/dbraw/zinc/22/37/24/826223724.db2.gz	MDASLCPUZGTAJT-HKUYNNGSSA-N	1	0	373.501	1.614	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3C[N@H+](CCc4ccnn4C)CC[C@@H]3C2)c1	ZINC001088099444	826390113	/nfs/dbraw/zinc/39/01/13/826390113.db2.gz	LIMFWURVSFLYQY-MJGOQNOKSA-N	1	0	363.465	1.433	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCc3cnn(C)c3)CC[C@@H]2C1	ZINC001088112867	826445409	/nfs/dbraw/zinc/44/54/09/826445409.db2.gz	BEJLXQVRPOKABK-HCXYKTFWSA-N	1	0	358.486	1.334	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCS(=O)(=O)C3)C[C@@H]2C1	ZINC001088125942	826513727	/nfs/dbraw/zinc/51/37/27/826513727.db2.gz	ICPLKILUHWMTOU-IKGGRYGDSA-N	1	0	354.516	1.558	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](CC[C@H]4CCCO4)CC[C@@H]3C2)nn1	ZINC001088132776	826570270	/nfs/dbraw/zinc/57/02/70/826570270.db2.gz	FYXGHVLLTXBZKS-IXDOHACOSA-N	1	0	359.474	1.427	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](CCC(F)(F)F)CC[C@@H]3C2)nn1	ZINC001088132695	826570283	/nfs/dbraw/zinc/57/02/83/826570283.db2.gz	BSBOCHIBDPLCNC-OLZOCXBDSA-N	1	0	357.380	1.810	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4cc(C)no4)CC[C@@H]3C2)nn1	ZINC001088135523	826588452	/nfs/dbraw/zinc/58/84/52/826588452.db2.gz	PMHACNXXUQASAO-CVEARBPZSA-N	1	0	370.457	1.745	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cnn4cccc(OC)c34)C[C@@H]2C1	ZINC001088141779	826670338	/nfs/dbraw/zinc/67/03/38/826670338.db2.gz	BXLQZZZMZGZEAV-CVEARBPZSA-N	1	0	352.438	1.760	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)C4C=CC=CC=C4)[C@@H]3C2)C1=O	ZINC001075841007	826702518	/nfs/dbraw/zinc/70/25/18/826702518.db2.gz	XAECQVHIMYAXIC-IPMKNSEASA-N	1	0	353.466	1.604	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)s2)C[C@H]1C(F)(F)F	ZINC001112177838	826808693	/nfs/dbraw/zinc/80/86/93/826808693.db2.gz	DLNWLQSMSCOMRR-NXEZZACHSA-N	1	0	359.373	1.463	20	30		FDEDRO
N#CCCCOc1cccc(C[NH+]2CCC3(CC2)C[C@@H](O)CNC3=O)c1	ZINC000897039881	826821231	/nfs/dbraw/zinc/82/12/31/826821231.db2.gz	DBGVUQBYOCXCQF-QGZVFWFLSA-N	1	0	357.454	1.832	20	30		FDEDRO
CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cnn(C)c1C#N	ZINC000475185819	826901222	/nfs/dbraw/zinc/90/12/22/826901222.db2.gz	YGRFXXLUPADFFV-CQSZACIVSA-N	1	0	361.446	1.171	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2CC)cc1	ZINC000985230950	826968167	/nfs/dbraw/zinc/96/81/67/826968167.db2.gz	RVYDYBGVUVJAHI-GBESFXJTSA-N	1	0	353.466	1.729	20	30		FDEDRO
CC[NH+]=C(NCC(C)(C)N1CCOCC1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C	ZINC000262449494	826968736	/nfs/dbraw/zinc/96/87/36/826968736.db2.gz	QVRAUOUXZXADQY-GVDBMIGSSA-N	1	0	366.550	1.856	20	30		FDEDRO
CN1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC[N@H+](C)CC1	ZINC000897097227	826994403	/nfs/dbraw/zinc/99/44/03/826994403.db2.gz	LGTKZCZJLJMSOT-UHFFFAOYSA-N	1	0	354.414	1.698	20	30		FDEDRO
C[C@H]1CC[N@H+](C)CCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000508652266	833143641	/nfs/dbraw/zinc/14/36/41/833143641.db2.gz	IDDLXCMDPIJFON-MAUKXSAKSA-N	1	0	369.469	1.789	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)CC1	ZINC000928656527	827098127	/nfs/dbraw/zinc/09/81/27/827098127.db2.gz	YITLSJAFUVCDAL-UHFFFAOYSA-N	1	0	370.421	1.651	20	30		FDEDRO
N#Cc1ncc(Br)cc1N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO	ZINC000897221320	827184803	/nfs/dbraw/zinc/18/48/03/827184803.db2.gz	LJIYTRVHARQUPM-KGLIPLIRSA-N	1	0	351.248	1.751	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H]2C[N@H+]([C@@H](C)COC)CC[C@@H]2C1	ZINC001088174627	827223156	/nfs/dbraw/zinc/22/31/56/827223156.db2.gz	GQPNVBQXTRGAHP-BBWFWOEESA-N	1	0	357.454	1.522	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC(=O)N4)C[C@@H]3C2)c1	ZINC001088176268	827270526	/nfs/dbraw/zinc/27/05/26/827270526.db2.gz	LDGDYNFQWXEETK-SQNIBIBYSA-N	1	0	352.438	1.117	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC3CCN(C(C)=O)CC3)C[C@@H]2C1	ZINC001088207434	827497828	/nfs/dbraw/zinc/49/78/28/827497828.db2.gz	KRLFRBUOWQFUCK-UXHICEINSA-N	1	0	359.514	1.829	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4[nH]c(=O)n(C)c4c3)C[C@@H]2C1	ZINC001088223131	827558836	/nfs/dbraw/zinc/55/88/36/827558836.db2.gz	NRYRUWKUSSYJFP-CVEARBPZSA-N	1	0	352.438	1.696	20	30		FDEDRO
N#Cc1ccc(OC2CCC(NC(=O)C3C[NH+]([C@H]4CCOC4)C3)CC2)nc1	ZINC000897288379	827726542	/nfs/dbraw/zinc/72/65/42/827726542.db2.gz	BPPVTRKHBUNJJG-ADKAHSJRSA-N	1	0	370.453	1.480	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cnn(C)c2)C[C@H]1C(F)(F)F	ZINC001112186655	828042254	/nfs/dbraw/zinc/04/22/54/828042254.db2.gz	FDPZLKVADPYXAV-ZIAGYGMSSA-N	1	0	356.392	1.700	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CCc2c[nH]cn2)[C@@H]1CC	ZINC000985515631	828077374	/nfs/dbraw/zinc/07/73/74/828077374.db2.gz	IMOWVRLGBFYKGR-TWMKSMIVSA-N	1	0	360.458	1.429	20	30		FDEDRO
C#CCC[NH+]1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1	ZINC000840952289	828109653	/nfs/dbraw/zinc/10/96/53/828109653.db2.gz	YLXRQKONWVJMBZ-UHFFFAOYSA-N	1	0	365.455	1.978	20	30		FDEDRO
COC(=O)C[C@@]1([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCOC1	ZINC000447882106	828924786	/nfs/dbraw/zinc/92/47/86/828924786.db2.gz	NPHKHKJQGIWEAB-APWZRJJASA-N	1	0	357.410	1.365	20	30		FDEDRO
C[C@@H]1OCC[C@@]1(O)C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1	ZINC000447924714	828942262	/nfs/dbraw/zinc/94/22/62/828942262.db2.gz	HDXUPDBBJUHCTM-ORYQWCPZSA-N	1	0	371.481	1.837	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@@H+](C)[C@@H]2CCN(CC)C2=O)CC1	ZINC000985695116	829022780	/nfs/dbraw/zinc/02/27/80/829022780.db2.gz	RONLNOUNYXZUPA-KSZLIROESA-N	1	0	363.502	1.511	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)n(CCC#N)n1	ZINC000527353864	829041740	/nfs/dbraw/zinc/04/17/40/829041740.db2.gz	KIDSGSVPZJTGHX-INIZCTEOSA-N	1	0	372.473	1.521	20	30		FDEDRO
Cn1c(C#N)ccc1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000448916441	829299362	/nfs/dbraw/zinc/29/93/62/829299362.db2.gz	XXCYVGZYSLMOJN-UHFFFAOYSA-N	1	0	367.457	1.019	20	30		FDEDRO
C[C@H]1C[C@@]1(C#N)C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1	ZINC000448956291	829310892	/nfs/dbraw/zinc/31/08/92/829310892.db2.gz	YZRZBCAZPKUNHF-YWZLYKJASA-N	1	0	354.454	1.678	20	30		FDEDRO
Cc1ccc(I)cc1NC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N	ZINC000841196494	829332311	/nfs/dbraw/zinc/33/23/11/829332311.db2.gz	RJHVTIZZFHBMDG-BXKDBHETSA-N	1	0	370.194	1.833	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1	ZINC000528381265	829372277	/nfs/dbraw/zinc/37/22/77/829372277.db2.gz	PPRKOQZUJWUDSM-MSOLQXFVSA-N	1	0	357.454	1.632	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC#CCN1C(=O)c2ccccc2C1=O	ZINC000528400203	829383688	/nfs/dbraw/zinc/38/36/88/829383688.db2.gz	LMGSYWCBZFVPGG-SJORKVTESA-N	1	0	351.450	1.845	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(N2CCCCC2=O)CC1	ZINC000528408567	829391335	/nfs/dbraw/zinc/39/13/35/829391335.db2.gz	XMAKITRBRNTCMA-GOSISDBHSA-N	1	0	357.454	1.775	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CC(=O)N2CCC2)C1	ZINC001088397820	829463329	/nfs/dbraw/zinc/46/33/29/829463329.db2.gz	RUDGIWQHZQKLGX-LNLFQRSKSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]Cc1cccc(C(=O)NC)c1	ZINC001168109492	829526507	/nfs/dbraw/zinc/52/65/07/829526507.db2.gz	ABOJQVVPZYCNAA-ROUUACIJSA-N	1	0	359.470	1.623	20	30		FDEDRO
CC(C)[C@H]1CN(C(=O)Cn2cnc(C#N)n2)CC[N@@H+]1Cc1ccccc1	ZINC000529805836	830050713	/nfs/dbraw/zinc/05/07/13/830050713.db2.gz	WOZISIQJFYLFLW-QGZVFWFLSA-N	1	0	352.442	1.519	20	30		FDEDRO
CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C1)[NH+](C)C	ZINC000985963093	830205289	/nfs/dbraw/zinc/20/52/89/830205289.db2.gz	CPYBMEDECIPLIX-JKIFEVAISA-N	1	0	357.458	1.147	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](C[C@H]3CCN(S(C)(=O)=O)C3)[C@@H]2C)C1	ZINC001088844229	830222274	/nfs/dbraw/zinc/22/22/74/830222274.db2.gz	JDQSKMDAQKXCCS-OAGGEKHMSA-N	1	0	369.531	1.203	20	30		FDEDRO
CC(=O)N1CCC(NC(NCCc2ccco2)=[NH+]C2CCOCC2)CC1	ZINC000262698297	830238742	/nfs/dbraw/zinc/23/87/42/830238742.db2.gz	YDUDFFSTNQCNQS-UHFFFAOYSA-N	1	0	362.474	1.547	20	30		FDEDRO
C[C@@H]1C[C@]1(C#N)C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000451698401	830423603	/nfs/dbraw/zinc/42/36/03/830423603.db2.gz	ZFXHCUZLLGBHMI-YFVAEKQCSA-N	1	0	352.482	1.955	20	30		FDEDRO
CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000451976727	830490336	/nfs/dbraw/zinc/49/03/36/830490336.db2.gz	CDCRYYZGJDCKHQ-GOSISDBHSA-N	1	0	360.502	1.304	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](C(=O)OC)[C@@H](c2ccccc2)C1	ZINC000452003143	830501388	/nfs/dbraw/zinc/50/13/88/830501388.db2.gz	IIGQHUXUFXZBEV-IMJJTQAJSA-N	1	0	359.426	1.275	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H](C(=O)OC)[C@@H](c2ccccc2)C1	ZINC000452005305	830502506	/nfs/dbraw/zinc/50/25/06/830502506.db2.gz	LZRBLDLOJBFLFI-NXHRZFHOSA-N	1	0	357.454	1.883	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)CN2CC[N@H+](CCO)C[C@H]2C)c(OC)c1	ZINC000452120011	830534091	/nfs/dbraw/zinc/53/40/91/830534091.db2.gz	QUMFOAIUQDKTJO-SJLPKXTDSA-N	1	0	364.486	1.162	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]2C1	ZINC000986085698	830625720	/nfs/dbraw/zinc/62/57/20/830625720.db2.gz	WJOWXMXOCDJQDI-AEFFLSMTSA-N	1	0	362.433	1.668	20	30		FDEDRO
CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(C)n1)c1ccco1	ZINC000453645787	830980648	/nfs/dbraw/zinc/98/06/48/830980648.db2.gz	YNAWWRGUENKIKP-OAHLLOKOSA-N	1	0	369.425	1.993	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)c1	ZINC000453645962	830980710	/nfs/dbraw/zinc/98/07/10/830980710.db2.gz	ASELYBWZHYEUSW-UHFFFAOYSA-N	1	0	358.442	1.374	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1C#N	ZINC000453653225	831003233	/nfs/dbraw/zinc/00/32/33/831003233.db2.gz	GPDAXCNVTAMPEC-HNNXBMFYSA-N	1	0	355.442	1.535	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)ccc1C#N	ZINC000453680721	831016313	/nfs/dbraw/zinc/01/63/13/831016313.db2.gz	VHFWJOBYLOTPOV-AWEZNQCLSA-N	1	0	365.437	1.837	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)ccc1C#N	ZINC000453680722	831016609	/nfs/dbraw/zinc/01/66/09/831016609.db2.gz	VHFWJOBYLOTPOV-CQSZACIVSA-N	1	0	365.437	1.837	20	30		FDEDRO
CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)C(=O)Nc2cc(C)cc(C#N)c2)C1	ZINC000453784237	831078443	/nfs/dbraw/zinc/07/84/43/831078443.db2.gz	KLKBKFJJWUVRIS-ROUUACIJSA-N	1	0	370.453	1.517	20	30		FDEDRO
C=C(C)CCNC(=O)C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000453894842	831156727	/nfs/dbraw/zinc/15/67/27/831156727.db2.gz	SDSKUCLZNCCUET-UHFFFAOYSA-N	1	0	358.486	1.845	20	30		FDEDRO
C[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N[C@H]1CCCN(c2cnn(C)c2)C1	ZINC000262781352	831411328	/nfs/dbraw/zinc/41/13/28/831411328.db2.gz	LCAMJOWLIKFNFZ-IEZWGBDMSA-N	1	0	362.522	1.495	20	30		FDEDRO
Cc1c(C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C)ccc2c[nH+]cn21	ZINC000988813856	837546078	/nfs/dbraw/zinc/54/60/78/837546078.db2.gz	VICKPZAPBLYUQI-KDOFPFPSSA-N	1	0	350.422	1.775	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1	ZINC000986394962	831612611	/nfs/dbraw/zinc/61/26/11/831612611.db2.gz	UEFIDPCUZZHQTF-LZWOXQAQSA-N	1	0	351.410	1.414	20	30		FDEDRO
CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]2C1	ZINC000986429642	831669376	/nfs/dbraw/zinc/66/93/76/831669376.db2.gz	YBSJBOBFXVSPNH-SJORKVTESA-N	1	0	366.465	1.482	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1C(F)(F)F	ZINC001112207619	831914730	/nfs/dbraw/zinc/91/47/30/831914730.db2.gz	XMZDQKFPBXIWFT-DGCLKSJQSA-N	1	0	358.364	1.672	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)CC[NH+](C)C)C1	ZINC001059729659	831961076	/nfs/dbraw/zinc/96/10/76/831961076.db2.gz	ZBJMOPGDODWWEA-BBWFWOEESA-N	1	0	351.491	1.274	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CCN1Cc1ccc(F)c(C#N)c1	ZINC001088505425	832040194	/nfs/dbraw/zinc/04/01/94/832040194.db2.gz	IMEFSYHYKNLOKK-JEBQAFNWSA-N	1	0	360.433	1.107	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@H]3C2)C1	ZINC000986686334	832197622	/nfs/dbraw/zinc/19/76/22/832197622.db2.gz	RAMUPWFZMBOPAM-INMHGKMJSA-N	1	0	369.469	1.149	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@](C[NH2+][C@H](C)C(N)=O)(c2ccccc2)C1	ZINC001105439792	832388346	/nfs/dbraw/zinc/38/83/46/832388346.db2.gz	MQDSARQNMNXLGI-QVWLALMTSA-N	1	0	371.481	1.258	20	30		FDEDRO
COc1cccc([C@H](O)C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)c1	ZINC001088533801	832489807	/nfs/dbraw/zinc/48/98/07/832489807.db2.gz	JZKQTFFNPLHPQE-ZNZDAUKMSA-N	1	0	368.437	1.821	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc(=O)n(C)o2)CCN1Cc1ccc(F)c(C#N)c1	ZINC001088543258	832564830	/nfs/dbraw/zinc/56/48/30/832564830.db2.gz	SQZYNDIADZIMSL-ABAIWWIYSA-N	1	0	358.373	1.382	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3ccc(C)n3C)[C@H]2C)CC1	ZINC000987342723	832832528	/nfs/dbraw/zinc/83/25/28/832832528.db2.gz	XWSDKFLJYIOYCE-AEFFLSMTSA-N	1	0	370.497	1.398	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3ccc(C)nc3)[C@H]2C)CC1	ZINC000987360337	832876778	/nfs/dbraw/zinc/87/67/78/832876778.db2.gz	GCTJTBMGAUUIOH-APWZRJJASA-N	1	0	368.481	1.454	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2cc(F)cc(C#N)c2)CC1	ZINC000866960014	832909327	/nfs/dbraw/zinc/90/93/27/832909327.db2.gz	HTUPCNAWLWKFIU-UHFFFAOYSA-N	1	0	355.435	1.211	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(-c3noc(-c4cnn(C)c4C#N)n3)cn2)CC1	ZINC000350103218	833456470	/nfs/dbraw/zinc/45/64/70/833456470.db2.gz	AGRKIXUTWYXQGW-UHFFFAOYSA-N	1	0	364.413	1.546	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C	ZINC000987965406	833875963	/nfs/dbraw/zinc/87/59/63/833875963.db2.gz	ZUIGWTMFHJDQCZ-BGTYHANMSA-N	1	0	363.502	1.415	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C	ZINC000988090691	834020911	/nfs/dbraw/zinc/02/09/11/834020911.db2.gz	JSPXLCQWVJGFNF-LZQZEXGQSA-N	1	0	353.466	1.268	20	30		FDEDRO
C=C(CC)CNC(=O)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1	ZINC000454026983	834416121	/nfs/dbraw/zinc/41/61/21/834416121.db2.gz	JNEYEJVYADOGCQ-UHFFFAOYSA-N	1	0	360.458	1.906	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1[NH2+]CCOCC(F)(F)C(F)F	ZINC001214173432	835350851	/nfs/dbraw/zinc/35/08/51/835350851.db2.gz	CODCYVHTPFZZJA-GHMZBOCLSA-N	1	0	371.400	1.597	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1	ZINC000246003847	835790871	/nfs/dbraw/zinc/79/08/71/835790871.db2.gz	JNRCOJYFDHAJMI-OTWHNJEPSA-N	1	0	361.534	1.095	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C)C1	ZINC000988534074	835808935	/nfs/dbraw/zinc/80/89/35/835808935.db2.gz	ZUIDHESBFQDAMF-RKVPGOIHSA-N	1	0	371.485	1.583	20	30		FDEDRO
[NH3+]C[C@@H](NC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1)C1CC1	ZINC000667360196	844093815	/nfs/dbraw/zinc/09/38/15/844093815.db2.gz	YOTVJKQQXLVZQH-QGZVFWFLSA-N	1	0	353.447	1.940	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC(CN(C)C(=O)c3c[nH]c(C#N)c3)CC2)CC[N@@H+]1C	ZINC000988545233	835902924	/nfs/dbraw/zinc/90/29/24/835902924.db2.gz	RXNYNXLTEJDFPT-RDTXWAMCSA-N	1	0	371.485	1.537	20	30		FDEDRO
C=CCN1CC[C@H](N2CC[C@H](NC(=O)c3cn4c(n3)CCCC4)[C@H]2C)C1=O	ZINC001088601338	835956218	/nfs/dbraw/zinc/95/62/18/835956218.db2.gz	VMGSTYLWYCDXCQ-VYDXJSESSA-N	1	0	371.485	1.199	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)CCN1Cc1ccc(C#N)cc1F	ZINC001088603257	835978906	/nfs/dbraw/zinc/97/89/06/835978906.db2.gz	FYDWDPHRWCXQJV-PVUWLOKVSA-N	1	0	358.417	1.255	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)CC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1	ZINC000988580651	836057538	/nfs/dbraw/zinc/05/75/38/836057538.db2.gz	UCXPSUQDXWJTHP-SQNIBIBYSA-N	1	0	365.518	1.615	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H](C)C3CCC3)[C@H]2C)CC1	ZINC000988708186	836746480	/nfs/dbraw/zinc/74/64/80/836746480.db2.gz	CCTVCZWGKOQRDD-FCEWJHQRSA-N	1	0	359.514	1.873	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn4cc[nH]c34)[C@H]2C(C)C)C[C@H]1O	ZINC001105669341	844208350	/nfs/dbraw/zinc/20/83/50/844208350.db2.gz	QXBUQCZNNDQFLV-PDOICOKGSA-N	1	0	371.485	1.818	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccnc3ccnn32)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088616929	836937921	/nfs/dbraw/zinc/93/79/21/836937921.db2.gz	REIFUPKRXNPHSH-PBHICJAKSA-N	1	0	360.421	1.994	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CCn2cccc2)[C@@H]1C	ZINC000988738318	836943176	/nfs/dbraw/zinc/94/31/76/836943176.db2.gz	MKKKFGXDFQMNDT-SQNIBIBYSA-N	1	0	356.470	1.081	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[C@H]3C3CCC3)C2)CC1	ZINC000938027677	836991087	/nfs/dbraw/zinc/99/10/87/836991087.db2.gz	DLUATADCTRDLQZ-GBESFXJTSA-N	1	0	357.498	1.485	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1	ZINC000938033625	837061760	/nfs/dbraw/zinc/06/17/60/837061760.db2.gz	KLKUGXQLDDZGKL-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](CCOCCC(C)C)C[C@H]1OC	ZINC001212085814	837124635	/nfs/dbraw/zinc/12/46/35/837124635.db2.gz	XTVKXEBLGGUTIT-QZTJIDSGSA-N	1	0	356.507	1.847	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C#C)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105669492	844249495	/nfs/dbraw/zinc/24/94/95/844249495.db2.gz	SIKDSFNWBNUOEX-JBPLPALLSA-N	1	0	365.477	1.666	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NC[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1OC	ZINC000261712143	837265787	/nfs/dbraw/zinc/26/57/87/837265787.db2.gz	VKFBDLMENIIEOT-GUYCJALGSA-N	1	0	363.458	1.998	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NCC3(COC)CC[NH2+]CC3)cc2C1=O	ZINC000261777938	837293466	/nfs/dbraw/zinc/29/34/66/837293466.db2.gz	SDMAJEKJNXYGQF-UHFFFAOYSA-N	1	0	371.437	1.215	20	30		FDEDRO
[NH2+]=C(NC[C@H]1CCCN(c2nccn3cnnc23)C1)NC1CCCCCC1	ZINC000261969129	837378734	/nfs/dbraw/zinc/37/87/34/837378734.db2.gz	COUBJUXYRHNFLB-OAHLLOKOSA-N	1	0	370.505	1.968	20	30		FDEDRO
CC#CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1C[C@@H](C)CC(=O)N1)CCO2	ZINC001105470938	837849681	/nfs/dbraw/zinc/84/96/81/837849681.db2.gz	PEUCFUBSNLWALR-NZEHOUKNSA-N	1	0	361.486	1.054	20	30		FDEDRO
C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1C[C@@H](C)CC(=O)N1)CCO2	ZINC001105470981	837870900	/nfs/dbraw/zinc/87/09/00/837870900.db2.gz	QUGCMRSIUASCEQ-NZEHOUKNSA-N	1	0	363.502	1.607	20	30		FDEDRO
COc1cc(CCNC(=[NH2+])N2CCN(c3ncccn3)CC2)ccc1Cl	ZINC000263066646	838023613	/nfs/dbraw/zinc/02/36/13/838023613.db2.gz	GEMWBIXBJHSRAX-UHFFFAOYSA-N	1	0	374.876	1.818	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CSCC#N)C2	ZINC001112264806	844308319	/nfs/dbraw/zinc/30/83/19/844308319.db2.gz	SPWQCGFYZWADSY-VKJFTORMSA-N	1	0	364.515	1.152	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccco3)C2)CC1	ZINC000938096397	838330829	/nfs/dbraw/zinc/33/08/29/838330829.db2.gz	FTTWEFSJJIQZIA-RCCFBDPRSA-N	1	0	369.465	1.445	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3CC(C)C)C2)CC1	ZINC000938097763	838334092	/nfs/dbraw/zinc/33/40/92/838334092.db2.gz	XFRYKELXOPCPCU-CEXWTWQISA-N	1	0	359.514	1.731	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21	ZINC000272317871	838432851	/nfs/dbraw/zinc/43/28/51/838432851.db2.gz	KEGLZYPILRILBE-CZUORRHYSA-N	1	0	359.401	1.329	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]2C)cn1	ZINC000989164287	838535740	/nfs/dbraw/zinc/53/57/40/838535740.db2.gz	SOTVSQVJTGIUMM-GRGSLBFTSA-N	1	0	368.481	1.512	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H]2C)cn1	ZINC000989163838	838546429	/nfs/dbraw/zinc/54/64/29/838546429.db2.gz	IAUOJVYKMXNSIK-LZQZEXGQSA-N	1	0	368.481	1.657	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1	ZINC000459827955	838972031	/nfs/dbraw/zinc/97/20/31/838972031.db2.gz	ZIRJGGMRHDWDND-UHFFFAOYSA-N	1	0	365.518	1.762	20	30		FDEDRO
C[NH+](C)CCN(CCCc1ccccc1)C(=O)C(=O)N1CCC(C#N)CC1	ZINC000460081393	839300082	/nfs/dbraw/zinc/30/00/82/839300082.db2.gz	XWDTUDYTTYZBTG-UHFFFAOYSA-N	1	0	370.497	1.772	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)n2C)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088795123	844432550	/nfs/dbraw/zinc/43/25/50/844432550.db2.gz	OHPYWIYDBCPHIT-CJNGLKHVSA-N	1	0	369.425	1.421	20	30		FDEDRO
Cc1nsc(N2CCC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1C#N	ZINC001059968463	839525749	/nfs/dbraw/zinc/52/57/49/839525749.db2.gz	GACKBQPJSAHSIG-RBSFLKMASA-N	1	0	361.515	1.996	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C)C1	ZINC000989372122	839746874	/nfs/dbraw/zinc/74/68/74/839746874.db2.gz	DTIQBSBGCVGKNP-RKVPGOIHSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCOC2(CCC([NH2+]CCOC)CC2)C1	ZINC001105483702	839780582	/nfs/dbraw/zinc/78/05/82/839780582.db2.gz	AVKRTUVCBPNQGA-NRGCRIOASA-N	1	0	366.502	1.744	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-n3cccn3)nc2)c1C#N	ZINC000760309991	839781753	/nfs/dbraw/zinc/78/17/53/839781753.db2.gz	OWTTXQPTTVQHTN-UHFFFAOYSA-N	1	0	350.386	1.266	20	30		FDEDRO
C[C@H](CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C)NC(N)=O	ZINC001101968412	839950116	/nfs/dbraw/zinc/95/01/16/839950116.db2.gz	VRHPEELSHBGLDB-CKEIUWERSA-N	1	0	357.458	1.189	20	30		FDEDRO
CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCC1	ZINC001105560835	839971533	/nfs/dbraw/zinc/97/15/33/839971533.db2.gz	CZPGVVUIDSIMHL-BBWFWOEESA-N	1	0	361.486	1.184	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3CCCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105585325	839994828	/nfs/dbraw/zinc/99/48/28/839994828.db2.gz	ODGRSFXTJUSKBI-BNDYYXHWSA-N	1	0	362.514	1.793	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)CCN(C)c2snc(Cl)c2C#N)CC[N@@H+]1C	ZINC001105580846	840001653	/nfs/dbraw/zinc/00/16/53/840001653.db2.gz	SCJSTOIOWYIHDR-GHMZBOCLSA-N	1	0	355.895	1.903	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105588073	840039081	/nfs/dbraw/zinc/03/90/81/840039081.db2.gz	QQRFKIVGWPADTG-XNFNUYLZSA-N	1	0	365.518	1.301	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3=COCCO3)[C@H]2C(C)C)C[C@H]1O	ZINC001105590195	840123206	/nfs/dbraw/zinc/12/32/06/840123206.db2.gz	ISMVYRPAYACXED-HBXLWWENSA-N	1	0	364.486	1.807	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc[n+]([O-])cc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105590481	840126231	/nfs/dbraw/zinc/12/62/31/840126231.db2.gz	KQBXDPALYLTSPT-XSYGEPLQSA-N	1	0	359.470	1.476	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCc3cc(F)c(F)cc3C2)CC1	ZINC000897675301	840218684	/nfs/dbraw/zinc/21/86/84/840218684.db2.gz	XPBZAGIARFLDIG-UHFFFAOYSA-N	1	0	363.408	1.616	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C)n3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105593916	840379102	/nfs/dbraw/zinc/37/91/02/840379102.db2.gz	ISGMLSKFAVVZPA-RBAQFSTRSA-N	1	0	357.498	1.937	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C)n3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105593919	840380681	/nfs/dbraw/zinc/38/06/81/840380681.db2.gz	ISGMLSKFAVVZPA-XLBJILASSA-N	1	0	357.498	1.937	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[N@@H+]4CC[C@H]3C4)C2)C1	ZINC000897874923	840527378	/nfs/dbraw/zinc/52/73/78/840527378.db2.gz	ADJHLDBUZDOUFA-FZTQNYJHSA-N	1	0	374.485	1.690	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CCC(CC)([NH+]2CCC2)CC1	ZINC000898106518	840816358	/nfs/dbraw/zinc/81/63/58/840816358.db2.gz	QQBDFMNWDDUCRX-UHFFFAOYSA-N	1	0	353.532	1.889	20	30		FDEDRO
COCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CSCC#N)[C@@H]2C(C)C)C[C@H]1O	ZINC001105600135	840984768	/nfs/dbraw/zinc/98/47/68/840984768.db2.gz	BVNJVWKYCSFKKY-JOCBIADPSA-N	1	0	369.531	1.246	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnns3)[C@H]2C(C)C)C[C@H]1O	ZINC001105600823	841013687	/nfs/dbraw/zinc/01/36/87/841013687.db2.gz	NQXMKSRQVAJXIO-LGWLGOQQSA-N	1	0	350.488	1.694	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CNC(=O)OC)[C@H]2C(C)C)C[C@H]1O	ZINC001105601513	841035283	/nfs/dbraw/zinc/03/52/83/841035283.db2.gz	ZNKFRLKCOGUEDU-RRIFGTCXSA-N	1	0	367.490	1.275	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CNC(=O)OC)[C@H]2C(C)C)C[C@H]1O	ZINC001105601511	841035522	/nfs/dbraw/zinc/03/55/22/841035522.db2.gz	ZNKFRLKCOGUEDU-IIHSZXCVSA-N	1	0	367.490	1.275	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nccnc3N)[C@H]2C(C)C)C[C@H]1O	ZINC001105606412	841205470	/nfs/dbraw/zinc/20/54/70/841205470.db2.gz	CYQBNXUSFXLLAD-ZLHSVIROSA-N	1	0	359.474	1.215	20	30		FDEDRO
C=CCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)N(C)C)C2)[C@@H]1C(C)C	ZINC001105606982	841210441	/nfs/dbraw/zinc/21/04/41/841210441.db2.gz	JMUPAVGWDOSCRQ-VVWQDTPRSA-N	1	0	351.491	1.007	20	30		FDEDRO
CC/C=C(/C)C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC#CCOC)C2)[C@H]1C(C)C	ZINC001105606996	841210502	/nfs/dbraw/zinc/21/05/02/841210502.db2.gz	JUSXHTWUZLIWSQ-HVJNVWFLSA-N	1	0	362.514	1.959	20	30		FDEDRO
C=CCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCn3cncn3)C2)[C@H]1C(C)C	ZINC001105606824	841215500	/nfs/dbraw/zinc/21/55/00/841215500.db2.gz	HELSQMGYHAZPOX-PSBWJHGTSA-N	1	0	361.490	1.210	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(CC)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105607579	841231734	/nfs/dbraw/zinc/23/17/34/841231734.db2.gz	UGDJXRCWXILINI-FTEYMNFISA-N	1	0	358.486	1.506	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc(=O)[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105610579	841653579	/nfs/dbraw/zinc/65/35/79/841653579.db2.gz	LFSJWDIPKZYAAF-ZTRFORPCSA-N	1	0	357.454	1.390	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C)nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105611036	841750097	/nfs/dbraw/zinc/75/00/97/841750097.db2.gz	OMEVDBJERISJBL-XSYGEPLQSA-N	1	0	360.502	1.884	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)CN2CCCNC2=O)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088701584	841886956	/nfs/dbraw/zinc/88/69/56/841886956.db2.gz	AAVLIRWQAKZCNF-PBHICJAKSA-N	1	0	355.442	1.053	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H]1C	ZINC000990135467	841905690	/nfs/dbraw/zinc/90/56/90/841905690.db2.gz	XNUJVDZCYAAISN-BDXSIMOUSA-N	1	0	363.502	1.415	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncccc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105613733	842224747	/nfs/dbraw/zinc/22/47/47/842224747.db2.gz	BONPJKLMQNDTGC-ZJSJBZJDSA-N	1	0	355.482	1.993	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105614619	842227631	/nfs/dbraw/zinc/22/76/31/842227631.db2.gz	IXOUCIMWPYGYSG-MLYOOKFZSA-N	1	0	354.454	1.489	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cc(C)n[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105615099	842229579	/nfs/dbraw/zinc/22/95/79/842229579.db2.gz	OZMXPTUICLFUPN-JYBIWHBTSA-N	1	0	358.486	1.250	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(F)nc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105615151	842229687	/nfs/dbraw/zinc/22/96/87/842229687.db2.gz	PPIIHCNUGUWRGS-QQTQMKHKSA-N	1	0	359.445	1.824	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc[nH]c(=O)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105619164	842236160	/nfs/dbraw/zinc/23/61/60/842236160.db2.gz	HAAANUFOILTPDR-ZTRFORPCSA-N	1	0	357.454	1.390	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(OC)no3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619193	842236537	/nfs/dbraw/zinc/23/65/37/842236537.db2.gz	HOEXCSWXTJMZTB-BCXHYRKLSA-N	1	0	363.458	1.839	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105619355	842236706	/nfs/dbraw/zinc/23/67/06/842236706.db2.gz	JMPWMOFNYSQSQZ-PHXBYCTMSA-N	1	0	360.502	1.966	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)ncn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619318	842237111	/nfs/dbraw/zinc/23/71/11/842237111.db2.gz	IZDCONFOARMZQS-MLYOOKFZSA-N	1	0	356.470	1.388	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cccnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105619490	842238103	/nfs/dbraw/zinc/23/81/03/842238103.db2.gz	LXXNLNMQUCUSOL-RMVXJAJNSA-N	1	0	355.482	1.614	20	30		FDEDRO
C#CCCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCOC)C2)[C@@H]1C(C)C	ZINC001105623284	842251503	/nfs/dbraw/zinc/25/15/03/842251503.db2.gz	OYEMTTCKLRETEZ-JYBIWHBTSA-N	1	0	350.503	1.793	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnnn3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105623306	842251602	/nfs/dbraw/zinc/25/16/02/842251602.db2.gz	PGEICGSSIZODLR-KLICCBINSA-N	1	0	361.490	1.454	20	30		FDEDRO
CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000490405153	861288418	/nfs/dbraw/zinc/28/84/18/861288418.db2.gz	YFUDHMNTGLVTEM-QGZVFWFLSA-N	1	0	373.482	1.472	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nn(C)cc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105626505	842257044	/nfs/dbraw/zinc/25/70/44/842257044.db2.gz	CFSMBOILDPAQOD-CIWUYKSXSA-N	1	0	360.502	1.884	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C#CC3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105626867	842258971	/nfs/dbraw/zinc/25/89/71/842258971.db2.gz	ITDGKCXNPGDBCU-UKAVVXHISA-N	1	0	360.498	1.569	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(C)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105628337	842261446	/nfs/dbraw/zinc/26/14/46/842261446.db2.gz	URFJLQJZIIYIGO-YVTWGWGSSA-N	1	0	363.502	1.055	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)C#CC(C)(C)C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2	ZINC001105628878	842262164	/nfs/dbraw/zinc/26/21/64/842262164.db2.gz	YOQCGHVJJVVUTP-ZTRFORPCSA-N	1	0	350.503	1.384	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)ncn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105636856	842268733	/nfs/dbraw/zinc/26/87/33/842268733.db2.gz	FLDNBMSHEDNYPD-QQTQMKHKSA-N	1	0	358.486	1.332	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc[nH]c3=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637531	842271764	/nfs/dbraw/zinc/27/17/64/842271764.db2.gz	RIYWEBITJXBCEW-NNFUDEMPSA-N	1	0	360.458	1.338	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3[nH]c(=O)[nH]c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105637985	842275340	/nfs/dbraw/zinc/27/53/40/842275340.db2.gz	YMMKJCNZTGKBSM-ZLHSVIROSA-N	1	0	360.458	1.027	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCOCCO)C2)[C@@H]1C(C)C	ZINC001105633790	842283164	/nfs/dbraw/zinc/28/31/64/842283164.db2.gz	WZPFDEZFVCLYRN-IZBJGVDFSA-N	1	0	368.518	1.318	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn4c(n3)CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001105633999	842283363	/nfs/dbraw/zinc/28/33/63/842283363.db2.gz	YRKYYYBQEANLIJ-STQYRHOTSA-N	1	0	370.497	1.432	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3(C)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105642061	842302307	/nfs/dbraw/zinc/30/23/07/842302307.db2.gz	HDFIHDDRMKDVKY-VGUOSERISA-N	1	0	362.514	1.793	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3csnn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105642246	842304779	/nfs/dbraw/zinc/30/47/79/842304779.db2.gz	IGPQMQOKFIQMKY-UTXMOHQDSA-N	1	0	350.488	1.694	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccc(=O)[nH]c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105642680	842309366	/nfs/dbraw/zinc/30/93/66/842309366.db2.gz	LAIADOZIPJRQBH-DGQTTZFYSA-N	1	0	371.481	1.319	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3cncnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105642826	842320572	/nfs/dbraw/zinc/32/05/72/842320572.db2.gz	NHVCCSFBWPLJGX-VURPSTOHSA-N	1	0	370.497	1.399	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)cnn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105645449	842395333	/nfs/dbraw/zinc/39/53/33/842395333.db2.gz	AVJBOWOFLQAAEK-HBXLWWENSA-N	1	0	360.502	1.884	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCC(F)F)[C@@H]2C(C)C)C[C@H]1O	ZINC001105645775	842395664	/nfs/dbraw/zinc/39/56/64/842395664.db2.gz	CSUFGWASXCYOGJ-DTDBQYNISA-N	1	0	358.429	1.258	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3csc(=O)[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105646274	842405403	/nfs/dbraw/zinc/40/54/03/842405403.db2.gz	IFMJAWRYHHFJGW-SCFUHWHPSA-N	1	0	363.483	1.452	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CCOC)C3)[C@H]2C(C)C)cc1	ZINC001105646377	842406445	/nfs/dbraw/zinc/40/64/45/842406445.db2.gz	JFBOBPIISYZPCT-NXLVEIQXSA-N	1	0	370.493	1.894	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(C)CCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105651409	842446765	/nfs/dbraw/zinc/44/67/65/842446765.db2.gz	GTIMUBFEPYCEHY-WIRSXHRWSA-N	1	0	362.514	1.793	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C3)[C@H]2C(C)C)CCC1	ZINC001105656644	842487281	/nfs/dbraw/zinc/48/72/81/842487281.db2.gz	SFIFHNFGUAGZCT-MXHNKVEKSA-N	1	0	363.502	1.184	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncc(C#C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105656161	842491110	/nfs/dbraw/zinc/49/11/10/842491110.db2.gz	NIFQZLBDUQUANT-XWSHUIEDSA-N	1	0	365.477	1.666	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3cn[nH]c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105656179	842491477	/nfs/dbraw/zinc/49/14/77/842491477.db2.gz	NLRGKHWQTSWMCJ-LFGUQSLTSA-N	1	0	358.486	1.332	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccn(CC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105657403	842493952	/nfs/dbraw/zinc/49/39/52/842493952.db2.gz	YWJGHSFDBMTBLN-SOAMZJECSA-N	1	0	358.486	1.506	20	30		FDEDRO
COc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)nn1C	ZINC001088731411	842639312	/nfs/dbraw/zinc/63/93/12/842639312.db2.gz	NFPKNWWXJXSOMQ-CJNGLKHVSA-N	1	0	353.426	1.693	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(C(=O)NC)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105660953	842642759	/nfs/dbraw/zinc/64/27/59/842642759.db2.gz	BCSKFOQCMSIOCG-JEWRLFTDSA-N	1	0	363.502	1.055	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1	ZINC000990542892	842745584	/nfs/dbraw/zinc/74/55/84/842745584.db2.gz	YUUNJCWFKFKMOA-KSZLIROESA-N	1	0	363.502	1.513	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4ccccc4)[C@@H]3C2)C1=O	ZINC001075957473	842778551	/nfs/dbraw/zinc/77/85/51/842778551.db2.gz	HNQJQCKNLLAFDN-GBESFXJTSA-N	1	0	353.466	1.549	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCn3cncn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105666135	843068830	/nfs/dbraw/zinc/06/88/30/843068830.db2.gz	CXKMUHFYNKYJSH-FPAYPSAMSA-N	1	0	361.490	1.210	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@@H]([NH3+])C2)cc1Br	ZINC000923741154	843391957	/nfs/dbraw/zinc/39/19/57/843391957.db2.gz	VMHFBWNNNUPWJM-GXSJLCMTSA-N	1	0	358.261	1.726	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3ccncc3)[C@@H](O)C2)cc1	ZINC001083473180	843399469	/nfs/dbraw/zinc/39/94/69/843399469.db2.gz	MGBHEUIEJCUQHU-NMLBUPMWSA-N	1	0	362.433	1.418	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(=O)NCC3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105667179	843518795	/nfs/dbraw/zinc/51/87/95/843518795.db2.gz	OZBJETRFTURVSG-YKCBXCCJSA-N	1	0	363.502	1.055	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc(OC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667227	843544464	/nfs/dbraw/zinc/54/44/64/843544464.db2.gz	PSJSGICKBUDYAY-ZJSJBZJDSA-N	1	0	371.481	1.693	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CC#CC)C3)[C@@H]2C(C)C)cn1	ZINC001105667700	843683470	/nfs/dbraw/zinc/68/34/70/843683470.db2.gz	DNVKXVLXVMAQFG-JBPLPALLSA-N	1	0	365.477	1.666	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cncn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105668085	843753800	/nfs/dbraw/zinc/75/38/00/843753800.db2.gz	WCTNFHPLIXRZTG-LFGUQSLTSA-N	1	0	360.502	1.505	20	30		FDEDRO
CC[C@H](C#N)Oc1cccc(CNC(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)c1	ZINC000842180360	845369192	/nfs/dbraw/zinc/36/91/92/845369192.db2.gz	MXLQCSTVZDZNCD-LZLYRXPVSA-N	1	0	374.485	1.964	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCOCCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105673501	845386008	/nfs/dbraw/zinc/38/60/08/845386008.db2.gz	MHZBITDSMKSTOP-FPAYPSAMSA-N	1	0	354.491	1.192	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CCCc3nn[nH]c32)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088824063	846386842	/nfs/dbraw/zinc/38/68/42/846386842.db2.gz	OQYOXHPRVBOFMR-COXVUDFISA-N	1	0	364.453	1.875	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](C[C@@H](OC)C2CCCC2)C[C@@H]1O	ZINC001083526390	846412774	/nfs/dbraw/zinc/41/27/74/846412774.db2.gz	PMKYPLFUBUAYIG-NZSAHSFTSA-N	1	0	361.486	1.654	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC1	ZINC000899590711	846464045	/nfs/dbraw/zinc/46/40/45/846464045.db2.gz	FLWMHGCJTWTMHO-UHFFFAOYSA-N	1	0	357.498	1.977	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)CC1	ZINC000899589449	846467333	/nfs/dbraw/zinc/46/73/33/846467333.db2.gz	VLAQDPNPPOJOKD-IRXDYDNUSA-N	1	0	363.502	1.249	20	30		FDEDRO
C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1	ZINC001076070607	847202308	/nfs/dbraw/zinc/20/23/08/847202308.db2.gz	RKRBSZNPQJHKBE-SYGRHNPNSA-N	1	0	351.878	1.135	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccn(C)c(=O)c4)C[C@H]32)c1	ZINC001076223166	847591179	/nfs/dbraw/zinc/59/11/79/847591179.db2.gz	LZDHVIPKDGOBNE-PKOBYXMFSA-N	1	0	362.433	1.108	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cc4cnc[nH]4)[C@@H]3C2)cc1C#N	ZINC001076294591	847794116	/nfs/dbraw/zinc/79/41/16/847794116.db2.gz	SXLVBYLESQWAKZ-MAUKXSAKSA-N	1	0	365.437	1.565	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)COC4CCOCC4)[C@@H]3C2)cc1	ZINC001076315285	847810027	/nfs/dbraw/zinc/81/00/27/847810027.db2.gz	CJAWALDGOOQBNZ-AZUAARDMSA-N	1	0	369.465	1.787	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CC[C@H]3C[N@H+](C[C@H]4CCCCO4)C[C@H]32)nn1	ZINC001076345172	847920556	/nfs/dbraw/zinc/92/05/56/847920556.db2.gz	RNGGNZSRPFMTAM-LZLYRXPVSA-N	1	0	359.474	1.570	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4cccnn4)[C@@H]3C2)cc1	ZINC001076389298	848026940	/nfs/dbraw/zinc/02/69/40/848026940.db2.gz	PRPSLDVNCOBANA-QFBILLFUSA-N	1	0	363.421	1.725	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(CC)on4)[C@@H]3C2)C1=O	ZINC001076473732	848234052	/nfs/dbraw/zinc/23/40/52/848234052.db2.gz	KVPKGWMBZQCYBG-IAOVAPTHSA-N	1	0	358.442	1.170	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](O)c4ccccc4)C[C@H]32)cn1	ZINC001076477203	848243119	/nfs/dbraw/zinc/24/31/19/848243119.db2.gz	UMURKRJSASLEIX-CEWLAPEOSA-N	1	0	361.445	1.943	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN([C@@H](C)c4noc(C)n4)C[C@H]32)CC1	ZINC001076604572	848553254	/nfs/dbraw/zinc/55/32/54/848553254.db2.gz	MNDQQWRGLWFTAS-JCGIZDLHSA-N	1	0	371.485	1.317	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN([C@H](C)c4ncccn4)C[C@H]32)CC1	ZINC001076605508	848555819	/nfs/dbraw/zinc/55/58/19/848555819.db2.gz	DNNQMWFFTUYHCW-NZSAHSFTSA-N	1	0	367.497	1.416	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)CCCC[NH+](C)C	ZINC001076725280	848851192	/nfs/dbraw/zinc/85/11/92/848851192.db2.gz	MELSMZUCVQQPCL-BQFCYCMXSA-N	1	0	353.507	1.711	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](Cc3cccc4cccnc43)C[C@H]2O)c1	ZINC001076854323	849209304	/nfs/dbraw/zinc/20/93/04/849209304.db2.gz	GHFFBTVBNAIVMM-QZTJIDSGSA-N	1	0	361.405	1.410	20	30		FDEDRO
C[C@@H](c1ccc2c(c1)CCC2)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1	ZINC001076855857	849213984	/nfs/dbraw/zinc/21/39/84/849213984.db2.gz	QDZZXKSXXPQZPU-CJMONDIMSA-N	1	0	364.449	1.911	20	30		FDEDRO
Cc1cccc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)c1	ZINC001076855663	849214415	/nfs/dbraw/zinc/21/44/15/849214415.db2.gz	GZLJOKMZEXTMMT-RTBURBONSA-N	1	0	352.438	1.603	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCc4ccccc43)C[C@H]2O)c[nH]1	ZINC001076906164	849299982	/nfs/dbraw/zinc/29/99/82/849299982.db2.gz	PGLKBEYEWMEZIL-CWFSZBLJSA-N	1	0	364.449	1.781	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCCc3cccc(F)c3)C[C@H]2O)c[nH]1	ZINC001076907094	849301124	/nfs/dbraw/zinc/30/11/24/849301124.db2.gz	AOTUYPCMLOAAQN-QZTJIDSGSA-N	1	0	356.401	1.433	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@](C)(C(N)=O)C2)cc1	ZINC000483269044	849423977	/nfs/dbraw/zinc/42/39/77/849423977.db2.gz	HAEFACJLHVUMFO-IBGZPJMESA-N	1	0	358.442	1.529	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2CC)C[C@H]1O	ZINC001077019042	849552827	/nfs/dbraw/zinc/55/28/27/849552827.db2.gz	KDXASHPSVHTKHD-WTGUMLROSA-N	1	0	358.482	1.892	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(Cc3ccccc3C#N)C[C@H]2O)C1	ZINC001077128118	849837730	/nfs/dbraw/zinc/83/77/30/849837730.db2.gz	XTUFIJBOCBWJOA-XUVXKRRUSA-N	1	0	370.497	1.197	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)C[C@H]2O)cc1	ZINC001077246078	850233994	/nfs/dbraw/zinc/23/39/94/850233994.db2.gz	ODIMIHNYPBVDDY-RTBURBONSA-N	1	0	370.453	1.003	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1O	ZINC001077247217	850239160	/nfs/dbraw/zinc/23/91/60/850239160.db2.gz	QUZLVHRWBVEDNE-KBAYOESNSA-N	1	0	360.454	1.595	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)C1	ZINC000903772298	850610738	/nfs/dbraw/zinc/61/07/38/850610738.db2.gz	ZPIULBUGPONJAU-YTQUADARSA-N	1	0	374.529	1.228	20	30		FDEDRO
CCO[C@H]1COCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000484638143	851002406	/nfs/dbraw/zinc/00/24/06/851002406.db2.gz	JYOUVNLNWKXKHY-SJORKVTESA-N	1	0	369.425	1.466	20	30		FDEDRO
C[C@@](O)(C[NH2+]CCNC(=O)C1N=CC=CC1=O)C(F)(F)C(F)(F)F	ZINC000905103736	851662195	/nfs/dbraw/zinc/66/21/95/851662195.db2.gz	LPGUAOAFRWYEAP-PBQZMEPESA-N	1	0	357.279	1.051	20	30		FDEDRO
CC[C@@](O)(C[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(F)(F)F	ZINC000905229129	851738037	/nfs/dbraw/zinc/73/80/37/851738037.db2.gz	HDSQADZCHNXIDY-GDBMZVCRSA-N	1	0	355.360	1.952	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1	ZINC000913516699	862298218	/nfs/dbraw/zinc/29/82/18/862298218.db2.gz	AVWWNQISPWHVPF-HNNXBMFYSA-N	1	0	360.433	1.751	20	30		FDEDRO
CC(C)C[C@H](C(=O)NCC#CC[NH+](C)C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O	ZINC000913515001	862295466	/nfs/dbraw/zinc/29/54/66/862295466.db2.gz	DTMOMXAGDVCYSH-BRWVUGGUSA-N	1	0	359.470	1.034	20	30		FDEDRO
CCOc1ccc(-c2noc(CCC(=O)NCC#CC[NH+](C)C)n2)cc1	ZINC000913516455	862298339	/nfs/dbraw/zinc/29/83/39/862298339.db2.gz	QSVLALLEBOBWSK-UHFFFAOYSA-N	1	0	356.426	1.749	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)CN(C[C@H]1CCCO1)C(=O)OC(C)(C)C	ZINC000913518833	862302147	/nfs/dbraw/zinc/30/21/47/862302147.db2.gz	CLAHJXRSHZXCGN-OAHLLOKOSA-N	1	0	353.463	1.084	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1	ZINC000913518035	862302929	/nfs/dbraw/zinc/30/29/29/862302929.db2.gz	AYEXBJRMGKHRFF-UHFFFAOYSA-N	1	0	357.435	1.763	20	30		FDEDRO
C#CCN1CCC[C@H]([NH2+]C[C@@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000905460585	851962638	/nfs/dbraw/zinc/96/26/38/851962638.db2.gz	NEYZURPEPHGKEY-ZWKOTPCHSA-N	1	0	365.518	1.682	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Cc1ccccc1I	ZINC000913519903	862303912	/nfs/dbraw/zinc/30/39/12/862303912.db2.gz	UEMYLWUOFIUBAL-UHFFFAOYSA-N	1	0	356.207	1.515	20	30		FDEDRO
CN(C)S(=O)(=O)Cc1ccc(C[NH2+]C[C@H](O)CC2(C#N)CC2)cc1	ZINC000905522585	852015017	/nfs/dbraw/zinc/01/50/17/852015017.db2.gz	XIIJSXFAFXQCLS-MRXNPFEDSA-N	1	0	351.472	1.222	20	30		FDEDRO
CC1(C)O[C@@H]2C[C@@H]([NH2+]CCS(=O)(=O)c3cccc(C#N)c3)C[C@@H]2O1	ZINC000905608805	852066871	/nfs/dbraw/zinc/06/68/71/852066871.db2.gz	NGSFGORGWXYJKT-MKZZRHPPSA-N	1	0	350.440	1.604	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H]2C[C@@](CO)(c3ccccc3)C2)cc1	ZINC000905642431	852138246	/nfs/dbraw/zinc/13/82/46/852138246.db2.gz	XXNOBJGOLCKFIL-IRFCIJBXSA-N	1	0	352.434	1.980	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]CCOC2CCSCC2)cc1	ZINC000905706857	852194814	/nfs/dbraw/zinc/19/48/14/852194814.db2.gz	WCXPBNAHOVOFII-INIZCTEOSA-N	1	0	350.484	1.994	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1	ZINC000668526676	852662838	/nfs/dbraw/zinc/66/28/38/852662838.db2.gz	MDJMJZAZIRSMAX-RVKKMQEKSA-N	1	0	353.532	1.791	20	30		FDEDRO
N#C[C@]1(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC2CCC1CC2	ZINC000906561285	852982541	/nfs/dbraw/zinc/98/25/41/852982541.db2.gz	XTWLFMRBJVDVKZ-LBXVMSDZSA-N	1	0	358.486	1.473	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@H]2CCS(=O)(=O)C2)C1	ZINC001112282123	862418741	/nfs/dbraw/zinc/41/87/41/862418741.db2.gz	KJLXRIMHRLMWET-RYRKJORJSA-N	1	0	354.516	1.606	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@@H]2[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)CC1	ZINC000906601310	853070427	/nfs/dbraw/zinc/07/04/27/853070427.db2.gz	PXJSBVWMXNCRCE-QLFBSQMISA-N	1	0	362.474	1.594	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NC1(C2CC[NH2+]CC2)CC1	ZINC000906714787	853204942	/nfs/dbraw/zinc/20/49/42/853204942.db2.gz	BIYADFZXTYXMOI-UHFFFAOYSA-N	1	0	359.401	1.425	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2	ZINC000906767841	853289063	/nfs/dbraw/zinc/28/90/63/853289063.db2.gz	UISWBYBMWIYUAD-IBGZPJMESA-N	1	0	356.426	1.638	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N[C@]23CCC[C@H]2C[NH2+]C3)cc1C(F)(F)F	ZINC000906780125	853309782	/nfs/dbraw/zinc/30/97/82/853309782.db2.gz	YKBRBKIJRZBTPK-ZBEGNZNMSA-N	1	0	366.343	1.774	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCCC[N@@H+]2CCc3ccccc3C2)nc1	ZINC000906831753	853373979	/nfs/dbraw/zinc/37/39/79/853373979.db2.gz	CVMLWBXXGQYAGK-UHFFFAOYSA-N	1	0	356.451	1.680	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2ccc(C#N)cn2)C[C@@H]1[NH+]1CCCC1	ZINC000907135351	853846577	/nfs/dbraw/zinc/84/65/77/853846577.db2.gz	UUTNEDCFVDCUCP-KBPBESRZSA-N	1	0	352.485	1.154	20	30		FDEDRO
N#Cc1cc(F)ccc1S(=O)(=O)NC1CC[NH+](C2CCOCC2)CC1	ZINC000907329476	854084226	/nfs/dbraw/zinc/08/42/26/854084226.db2.gz	VPGSAYGMTDDUOF-UHFFFAOYSA-N	1	0	367.446	1.619	20	30		FDEDRO
Cc1cccc(S(=O)(=O)NC2CC[NH+](C3CCOCC3)CC2)c1C#N	ZINC000907329489	854084485	/nfs/dbraw/zinc/08/44/85/854084485.db2.gz	VRMARQITBMXZKQ-UHFFFAOYSA-N	1	0	363.483	1.788	20	30		FDEDRO
C#CCN1CCC(NS(=O)(=O)c2c[nH]c3ncc(Cl)cc23)CC1	ZINC000907419122	854187558	/nfs/dbraw/zinc/18/75/58/854187558.db2.gz	WZIMCFDVSJHSKZ-UHFFFAOYSA-N	1	0	352.847	1.592	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1	ZINC000668652665	855057683	/nfs/dbraw/zinc/05/76/83/855057683.db2.gz	AKOURWQURWMBLV-WMZOPIPTSA-N	1	0	359.470	1.647	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCCC[C@H]1COC(=O)N[C@H]1CCOC1	ZINC000908166905	855105901	/nfs/dbraw/zinc/10/59/01/855105901.db2.gz	ZVGIPMUZAAVXEN-HOTGVXAUSA-N	1	0	353.463	1.391	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21	ZINC000908205744	855193123	/nfs/dbraw/zinc/19/31/23/855193123.db2.gz	QTKGENZJXIVQKO-JKSUJKDBSA-N	1	0	357.454	1.530	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1	ZINC000908436158	855421384	/nfs/dbraw/zinc/42/13/84/855421384.db2.gz	CIOKWTVUSKUQRU-LJQANCHMSA-N	1	0	367.490	1.210	20	30		FDEDRO
C=CCn1c(-c2ncon2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1	ZINC000908732264	855727162	/nfs/dbraw/zinc/72/71/62/855727162.db2.gz	LGFVHEUAEZNOPV-UHFFFAOYSA-N	1	0	373.461	1.595	20	30		FDEDRO
C=CCn1c(-c2ccc(=O)n(C)c2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C	ZINC000908739870	855735983	/nfs/dbraw/zinc/73/59/83/855735983.db2.gz	DNQLSLIPCACPAK-NVXWUHKLSA-N	1	0	370.501	1.996	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1	ZINC000669273751	862776211	/nfs/dbraw/zinc/77/62/11/862776211.db2.gz	HCLHMGWKBUZDGV-MRXNPFEDSA-N	1	0	374.485	1.453	20	30		FDEDRO
C#CCCCc1nnc(N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)n1CCOC	ZINC000909204948	856301643	/nfs/dbraw/zinc/30/16/43/856301643.db2.gz	QORJISQCYZYNGK-CALCHBBNSA-N	1	0	363.506	1.426	20	30		FDEDRO
C=CCC[C@@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)OCC	ZINC000909274167	856350736	/nfs/dbraw/zinc/35/07/36/856350736.db2.gz	WAYFBVJYRTXMIQ-OFLPRAFFSA-N	1	0	352.475	1.892	20	30		FDEDRO
N#Cc1cc(F)c(C(=O)NCC(=O)NCC[NH+]2CCCCC2)c(F)c1	ZINC000909319349	856404584	/nfs/dbraw/zinc/40/45/84/856404584.db2.gz	XERVPLVPLOWAJM-UHFFFAOYSA-N	1	0	350.369	1.168	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1	ZINC000487754039	856724187	/nfs/dbraw/zinc/72/41/87/856724187.db2.gz	OADSCTPISVOCBD-RYQLBKOJSA-N	1	0	365.518	1.732	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	ZINC000910599080	857392903	/nfs/dbraw/zinc/39/29/03/857392903.db2.gz	BPFKRMUMAJCKSD-NQIIRXRSSA-N	1	0	366.465	1.483	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1	ZINC000910620890	857410208	/nfs/dbraw/zinc/41/02/08/857410208.db2.gz	WCNFEGXHQPLNCG-OAHLLOKOSA-N	1	0	360.483	1.665	20	30		FDEDRO
N#Cc1ccc(N(C(=O)C(=O)NCc2ccccc2)[C@@H]2CCC[NH2+]C2)nc1	ZINC000910858703	857787750	/nfs/dbraw/zinc/78/77/50/857787750.db2.gz	SPZLMIOUCQGKOK-QGZVFWFLSA-N	1	0	363.421	1.355	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c1	ZINC000910987521	857988141	/nfs/dbraw/zinc/98/81/41/857988141.db2.gz	PTCCBFZDOZOTNH-UONOGXRCSA-N	1	0	353.344	1.022	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccncc1	ZINC000911000065	858015464	/nfs/dbraw/zinc/01/54/64/858015464.db2.gz	BQWHDQAERFIFKK-DLBZAZTESA-N	1	0	372.469	1.090	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1)c1ccncc1	ZINC000911000069	858015695	/nfs/dbraw/zinc/01/56/95/858015695.db2.gz	BRJGARSKHQQLIR-DLBZAZTESA-N	1	0	372.469	1.171	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c(F)c1	ZINC000911171168	858280728	/nfs/dbraw/zinc/28/07/28/858280728.db2.gz	FCSRYLOZJAEZIO-DGCLKSJQSA-N	1	0	372.322	1.052	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1	ZINC000911389708	858552919	/nfs/dbraw/zinc/55/29/19/858552919.db2.gz	GELUAWYIHQJLBI-INIZCTEOSA-N	1	0	351.491	1.466	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)c3cnc(C4CC[NH2+]CC4)o3)CC2)c1	ZINC000911636401	858841881	/nfs/dbraw/zinc/84/18/81/858841881.db2.gz	OEHBXMBJPQBBAW-UHFFFAOYSA-N	1	0	366.425	1.371	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ncsc2C(C)C)C[C@H]1C	ZINC001106863710	881368630	/nfs/dbraw/zinc/36/86/30/881368630.db2.gz	CWEXPAFRJZZPCS-ZIAGYGMSSA-N	1	0	364.515	1.866	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N(CCO)C2CC[NH+](C)CC2)c(OC)c1	ZINC000911936474	859162791	/nfs/dbraw/zinc/16/27/91/859162791.db2.gz	AUKRXTWSUJRYEX-UHFFFAOYSA-N	1	0	362.470	1.718	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cn(C)nc2Cl)C[C@H]1C	ZINC001106865295	881389576	/nfs/dbraw/zinc/38/95/76/881389576.db2.gz	FWFGMDOBIRUWGY-FRRDWIJNSA-N	1	0	367.881	1.062	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)CCC[C@@H]12	ZINC000991382141	859700916	/nfs/dbraw/zinc/70/09/16/859700916.db2.gz	FQRRDDJUKXELPN-HGTKMLMNSA-N	1	0	360.376	1.469	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@@H]2COC[C@@H]21	ZINC000669032157	860845311	/nfs/dbraw/zinc/84/53/11/860845311.db2.gz	BYLPBDSHWLDVEU-NCOADZHNSA-N	1	0	359.474	1.615	20	30		FDEDRO
CCn1c(C)nnc1CN1C[C@@H]2CCC[C@]2(NC(=O)CSCC#N)C1	ZINC001111599836	863312723	/nfs/dbraw/zinc/31/27/23/863312723.db2.gz	FSMAGOQKFNAVFP-YOEHRIQHSA-N	1	0	362.503	1.334	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCC(C)C)C[C@H]1C	ZINC001105813611	863342323	/nfs/dbraw/zinc/34/23/23/863342323.db2.gz	VGJBMDAFUZOBJP-BZUAXINKSA-N	1	0	366.506	1.507	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001105843807	863446619	/nfs/dbraw/zinc/44/66/19/863446619.db2.gz	KIUPCPZUCXSWRD-SZVBFZGTSA-N	1	0	360.429	1.277	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2coc(CCC)n2)C[C@H]1C	ZINC001106873286	881663125	/nfs/dbraw/zinc/66/31/25/881663125.db2.gz	WPTSBJLZECLQNI-RBSFLKMASA-N	1	0	362.474	1.616	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C	ZINC001105846162	863476004	/nfs/dbraw/zinc/47/60/04/863476004.db2.gz	KKMBCAGUSHRAPH-HZPDHXFCSA-N	1	0	366.531	1.352	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CCOC(C)C)C[C@H]2C)C1=O	ZINC001105853581	863505903	/nfs/dbraw/zinc/50/59/03/863505903.db2.gz	CLELHUJTQPXZCH-BRWVUGGUSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cncnc2C)C[C@H]1C	ZINC001105864291	863534439	/nfs/dbraw/zinc/53/44/39/863534439.db2.gz	KTAFGTXMVWSWFE-NVXWUHKLSA-N	1	0	371.485	1.283	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H](O)COC)C1	ZINC001112109119	863657233	/nfs/dbraw/zinc/65/72/33/863657233.db2.gz	XSGMFXLTLMJQHE-YNEHKIRRSA-N	1	0	352.397	1.575	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(CC)CC)[C@H](C)C1	ZINC001105910190	863920215	/nfs/dbraw/zinc/92/02/15/863920215.db2.gz	QOCHVLXKPYZFHU-BRWVUGGUSA-N	1	0	367.534	1.957	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CCF)[C@H](C)C1	ZINC001105915210	863973802	/nfs/dbraw/zinc/97/38/02/863973802.db2.gz	WWXINFYXCLWEAH-BZUAXINKSA-N	1	0	367.469	1.413	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1C(F)(F)F	ZINC001112116099	864067717	/nfs/dbraw/zinc/06/77/17/864067717.db2.gz	KBRQWFKLDNTDEV-DGAVXFQQSA-N	1	0	350.381	1.735	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2nncn2-c2ccccc2)[C@H](C)C1	ZINC001105942020	864155370	/nfs/dbraw/zinc/15/53/70/864155370.db2.gz	UYGGYMMMYBFDMR-IAGOWNOFSA-N	1	0	369.469	1.654	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2nnc(CCC)s2)[C@H](C)C1	ZINC001105942100	864156857	/nfs/dbraw/zinc/15/68/57/864156857.db2.gz	YJZGUHQSBMEITK-ZIAGYGMSSA-N	1	0	352.504	1.877	20	30		FDEDRO
Cc1ccsc1CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C	ZINC001105946352	864190506	/nfs/dbraw/zinc/19/05/06/864190506.db2.gz	RHFPRNBNVOVBCD-RBSFLKMASA-N	1	0	362.499	1.517	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCc3ncnn32)[C@H](C)C1	ZINC001105981649	864325755	/nfs/dbraw/zinc/32/57/55/864325755.db2.gz	DFUPOGOEWNVUKF-ZACQAIPSSA-N	1	0	361.490	1.432	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ocnc2C)C[C@H]1C	ZINC001105982691	864335750	/nfs/dbraw/zinc/33/57/50/864335750.db2.gz	UCUAUGYNURSVRE-GDBMZVCRSA-N	1	0	362.474	1.705	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]Cc2nnc(CC)o2)[C@H](C)C1	ZINC001105987862	864366590	/nfs/dbraw/zinc/36/65/90/864366590.db2.gz	SULBIEPBOKWUKI-HUUCEWRRSA-N	1	0	350.463	1.799	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C)ncn2)C[C@H]1C	ZINC001106015600	864654853	/nfs/dbraw/zinc/65/48/53/864654853.db2.gz	IDMYROCIEWVFMB-NVXWUHKLSA-N	1	0	371.485	1.283	20	30		FDEDRO
CC(C)COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC001106020470	864719271	/nfs/dbraw/zinc/71/92/71/864719271.db2.gz	FZYGGTRWCLUCLB-INMHGKMJSA-N	1	0	362.474	1.218	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]C[C@H](O)Cc1ccccc1	ZINC001106025639	864813596	/nfs/dbraw/zinc/81/35/96/864813596.db2.gz	APIUXILBLPQLKY-XFQXTVEOSA-N	1	0	366.465	1.788	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]C[C@H](O)CC(F)(F)F	ZINC001106025690	864814516	/nfs/dbraw/zinc/81/45/16/864814516.db2.gz	CLFMWMINSDICLN-MPKXVKKWSA-N	1	0	358.364	1.497	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]CCCCCn1cncn1	ZINC001106028554	864870831	/nfs/dbraw/zinc/87/08/31/864870831.db2.gz	YSPPJZCIWSWUTR-NVXWUHKLSA-N	1	0	369.473	1.646	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nc(CCC)no2)[C@H](C)C1	ZINC001106058490	865070757	/nfs/dbraw/zinc/07/07/57/865070757.db2.gz	BPANZBGLCLLAKX-LBTNJELSSA-N	1	0	350.463	1.533	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CC(=C)C)[C@H](C)C1	ZINC001106058578	865072138	/nfs/dbraw/zinc/07/21/38/865072138.db2.gz	FMOIHDUKXNVFJM-HLIPFELVSA-N	1	0	365.518	1.422	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COC2CCOCC2)[C@H](C)C1	ZINC001106066170	865123754	/nfs/dbraw/zinc/12/37/54/865123754.db2.gz	XAADHDSHVAKXOH-KZNAEPCWSA-N	1	0	366.502	1.031	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2ccccc2)[C@H](C)C1	ZINC001106067936	865139380	/nfs/dbraw/zinc/13/93/80/865139380.db2.gz	ORMPYBIEBTUUKN-IEBWSBKVSA-N	1	0	355.482	1.790	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CCO[C@@H]3CC3(F)F)[C@@H]2C)nn1	ZINC001088906609	865368023	/nfs/dbraw/zinc/36/80/23/865368023.db2.gz	DLABWFAPESAOLL-MBNYWOFBSA-N	1	0	355.389	1.081	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CCO[C@H]3CC3(F)F)[C@@H]2C)nn1	ZINC001088906608	865369027	/nfs/dbraw/zinc/36/90/27/865369027.db2.gz	DLABWFAPESAOLL-DYEKYZERSA-N	1	0	355.389	1.081	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+](CCn3cncn3)[C@@H]2C)cc1	ZINC001088907087	865369936	/nfs/dbraw/zinc/36/99/36/865369936.db2.gz	ZCNWXLOROQXCAI-QAPCUYQASA-N	1	0	353.426	1.183	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)[C@H]1C	ZINC001088912373	865395923	/nfs/dbraw/zinc/39/59/23/865395923.db2.gz	UBXIXDFIDACEFB-QSOKESPWSA-N	1	0	354.454	1.203	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1O	ZINC001083848739	881881658	/nfs/dbraw/zinc/88/16/58/881881658.db2.gz	VKDQKTBTZJSMSD-YRPNKDGESA-N	1	0	369.465	1.591	20	30		FDEDRO
CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H]1C	ZINC001088992281	865961091	/nfs/dbraw/zinc/96/10/91/865961091.db2.gz	VDNBAXCFHAPPNM-CCKFTAQKSA-N	1	0	354.454	1.648	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(C)c2)C[C@H]1OC	ZINC001212194556	866153357	/nfs/dbraw/zinc/15/33/57/866153357.db2.gz	URGDPOQQPPDMNP-YVWKXTFCSA-N	1	0	362.470	1.646	20	30		FDEDRO
Cc1nccn1CC(=O)N[C@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)[C@@H]1C	ZINC001089041160	866241627	/nfs/dbraw/zinc/24/16/27/866241627.db2.gz	GIWIZBAOWUOTGW-BEFAXECRSA-N	1	0	367.453	1.873	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3nccc(C)n3)[C@@H]2C)CC1	ZINC001089059920	866388616	/nfs/dbraw/zinc/38/86/16/866388616.db2.gz	IWVIUPCVWBQOHE-AEFFLSMTSA-N	1	0	355.486	1.209	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(C(N)=O)nc2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001089075048	866534300	/nfs/dbraw/zinc/53/43/00/866534300.db2.gz	LHXJFXSKZOAOQT-DYVFJYSZSA-N	1	0	363.421	1.445	20	30		FDEDRO
C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C)N1CCOCC1	ZINC001089084370	866643195	/nfs/dbraw/zinc/64/31/95/866643195.db2.gz	HAPJLYBRAJUMHY-GJYPPUQNSA-N	1	0	356.470	1.358	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2	ZINC000994316821	882137264	/nfs/dbraw/zinc/13/72/64/882137264.db2.gz	VLGXRIPEORKIEA-GDBMZVCRSA-N	1	0	369.469	1.339	20	30		FDEDRO
COc1cc(CNC(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)ccc1C#N	ZINC000462482338	868003735	/nfs/dbraw/zinc/00/37/35/868003735.db2.gz	WNMGXSADKLSZDE-HNNXBMFYSA-N	1	0	372.469	1.962	20	30		FDEDRO
Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2C)n(C)n1	ZINC001106105279	868138284	/nfs/dbraw/zinc/13/82/84/868138284.db2.gz	PVEWWSLBIQQRPM-GDBMZVCRSA-N	1	0	359.474	1.011	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC(C)C)C2CC2)[C@H](C)C1	ZINC001106105610	868141695	/nfs/dbraw/zinc/14/16/95/868141695.db2.gz	ZPBZOOWTUSSNQY-QZTJIDSGSA-N	1	0	361.530	1.977	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]CC(=O)NC1CCC(C)CC1	ZINC001106105937	868163903	/nfs/dbraw/zinc/16/39/03/868163903.db2.gz	ADIVBYBVWWPLHQ-BDFRZKONSA-N	1	0	359.514	1.779	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@]3(NC(=O)[C@H]4C[C@H]4C(N)=O)CCC[C@@H]23)cc1F	ZINC000992177560	868173763	/nfs/dbraw/zinc/17/37/63/868173763.db2.gz	JZOQSATVRZEKOL-DOHHPOSVSA-N	1	0	370.428	1.432	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]CC(=O)N(C)c1nccs1	ZINC001106106432	868176075	/nfs/dbraw/zinc/17/60/75/868176075.db2.gz	WZXKCKWWGPJMCI-UKRRQHHQSA-N	1	0	360.483	1.203	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccc(F)cc2)[C@H](C)C1	ZINC001106111020	868379914	/nfs/dbraw/zinc/37/99/14/868379914.db2.gz	GDFBQHFKENWPFQ-ZHALLVOQSA-N	1	0	356.441	1.900	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C(C)C)n2C)[C@H](C)C1	ZINC001106111258	868387700	/nfs/dbraw/zinc/38/77/00/868387700.db2.gz	KINGGEIKUIDUHW-OWCLPIDISA-N	1	0	361.490	1.161	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)[C@H](C)C1	ZINC001106111966	868395191	/nfs/dbraw/zinc/39/51/91/868395191.db2.gz	UJFJRGNKDOZDMM-RVKKMQEKSA-N	1	0	357.429	1.920	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4CC)CC[C@@H]3C2)C1=O	ZINC000946788355	882189172	/nfs/dbraw/zinc/18/91/72/882189172.db2.gz	QCBTVYRRKZNRKF-FQBWVUSXSA-N	1	0	359.514	1.990	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)c2ccccc2)[C@H](C)C1	ZINC001106115202	868515263	/nfs/dbraw/zinc/51/52/63/868515263.db2.gz	QWNNPBQALOPBKJ-QZTJIDSGSA-N	1	0	371.481	1.373	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CC(=C)C)[C@H](C)C1	ZINC001106115380	868522432	/nfs/dbraw/zinc/52/24/32/868522432.db2.gz	TURKFZYPUZPEBK-QZTJIDSGSA-N	1	0	363.502	1.135	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CCOc2ccc(F)cc2)[C@H](C)C1	ZINC001106116688	868579249	/nfs/dbraw/zinc/57/92/49/868579249.db2.gz	KVUGUZVPYATLNO-BRWVUGGUSA-N	1	0	362.445	1.927	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CCOc2cccc(F)c2)[C@H](C)C1	ZINC001106116990	868583317	/nfs/dbraw/zinc/58/33/17/868583317.db2.gz	VTYYTOKFPSCMSB-IXDOHACOSA-N	1	0	362.445	1.927	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NCCCC)[C@H](C)C1	ZINC001106117618	868601899	/nfs/dbraw/zinc/60/18/99/868601899.db2.gz	VYIICGPJWKSXFF-IXDOHACOSA-N	1	0	351.491	1.015	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)NC1CC(NS(C)(=O)=O)C1)C(C)C	ZINC000669889718	868701028	/nfs/dbraw/zinc/70/10/28/868701028.db2.gz	JPQGAAHDLUKCCG-GPANFISMSA-N	1	0	372.535	1.064	20	30		FDEDRO
C[NH+](C)CC1(O)CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000913676727	869353033	/nfs/dbraw/zinc/35/30/33/869353033.db2.gz	IIXLGZYBNAKLHW-MRXNPFEDSA-N	1	0	374.460	1.439	20	30		FDEDRO
CC(=O)N1CCN(CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1	ZINC000271890433	869424244	/nfs/dbraw/zinc/42/42/44/869424244.db2.gz	RWXNPUWLWSZEPT-UHFFFAOYSA-N	1	0	369.513	1.276	20	30		FDEDRO
C[NH+](C)CCn1nccc1C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1	ZINC000913724805	869504832	/nfs/dbraw/zinc/50/48/32/869504832.db2.gz	NRLIWQSTPNCSNR-UHFFFAOYSA-N	1	0	363.425	1.813	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1	ZINC001060420690	869519475	/nfs/dbraw/zinc/51/94/75/869519475.db2.gz	UWJDUEFHBNNRCQ-JQHSSLGASA-N	1	0	363.502	1.274	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2c(C)cccc2C)C[C@@H]1O	ZINC001083853591	882325374	/nfs/dbraw/zinc/32/53/74/882325374.db2.gz	BSDLWZLCJLIMLO-RNQOJCNYSA-N	1	0	358.482	1.946	20	30		FDEDRO
CC#CCN(C)C(=O)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1	ZINC000492126603	869731000	/nfs/dbraw/zinc/73/10/00/869731000.db2.gz	KDPHOAYEHTUMOZ-UHFFFAOYSA-N	1	0	356.470	1.637	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnc([C@@H](C)OC)s2)C[C@H]1C	ZINC001106133215	869988363	/nfs/dbraw/zinc/98/83/63/869988363.db2.gz	GNARASREILWAAS-RBSFLKMASA-N	1	0	365.499	1.798	20	30		FDEDRO
O=C(NCC[NH2+]Cc1c[nH]nc1-c1ccccc1F)C1N=CC=CC1=O	ZINC000152154024	870089485	/nfs/dbraw/zinc/08/94/85/870089485.db2.gz	IWLHRGFQYBSUJY-ISLYRVAYSA-N	1	0	355.373	1.832	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccccc2Cn2cccn2)CC1	ZINC000913969402	870170112	/nfs/dbraw/zinc/17/01/12/870170112.db2.gz	QBIZIEMEJCZPTR-UHFFFAOYSA-N	1	0	351.454	1.828	20	30		FDEDRO
C#CCN(C(=O)NCc1cccc(OCCOC)c1)C1CC[NH+](C)CC1	ZINC000914113604	870833332	/nfs/dbraw/zinc/83/33/32/870833332.db2.gz	XMAIXCJLQUDGEC-UHFFFAOYSA-N	1	0	359.470	1.951	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2C)cn1	ZINC000994385468	882465509	/nfs/dbraw/zinc/46/55/09/882465509.db2.gz	VSADXTOPFQGLSR-SUMDDJOVSA-N	1	0	368.481	1.372	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)NCCC[NH+]1CCC(O)CC1	ZINC000914143141	871052532	/nfs/dbraw/zinc/05/25/32/871052532.db2.gz	WKIMVAPFJBJSOL-UHFFFAOYSA-N	1	0	365.499	1.441	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC001033419967	882482463	/nfs/dbraw/zinc/48/24/63/882482463.db2.gz	DYQUHEJOKISZOJ-KSZLIROESA-N	1	0	354.454	1.315	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccnc(N(C)C)c2)C1	ZINC001033431557	882512305	/nfs/dbraw/zinc/51/23/05/882512305.db2.gz	FPHMDJCUAFQFIW-KSZLIROESA-N	1	0	358.486	1.771	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c(Cl)cnn2CC)C[C@H]1C	ZINC001106172727	871590635	/nfs/dbraw/zinc/59/06/35/871590635.db2.gz	REPDSCHQEHBJTI-CHWSQXEVSA-N	1	0	367.881	1.156	20	30		FDEDRO
N#Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[NH+]4CCC2CC4)C3)c[nH]1	ZINC001002950122	871969301	/nfs/dbraw/zinc/96/93/01/871969301.db2.gz	GPZJTCQPMIZUDH-XDNAFOTISA-N	1	0	367.453	1.090	20	30		FDEDRO
N#Cc1ccc(Br)c(C[NH2+]CCCn2cc(CO)nn2)c1	ZINC000922136375	872360949	/nfs/dbraw/zinc/36/09/49/872360949.db2.gz	CDNQIUOSAKEMDA-UHFFFAOYSA-N	1	0	350.220	1.584	20	30		FDEDRO
C#CC[C@H](CO)[NH2+][C@@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000922140362	872390142	/nfs/dbraw/zinc/39/01/42/872390142.db2.gz	HHWUFDUJSMLISN-HZPDHXFCSA-N	1	0	352.475	1.909	20	30		FDEDRO
C[NH+](C)[C@H](C(=O)N1C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@]2(C)C1)C1CC1	ZINC000992814199	872503404	/nfs/dbraw/zinc/50/34/04/872503404.db2.gz	DSQSYHISHCEKNZ-RIFZZMRRSA-N	1	0	369.469	1.147	20	30		FDEDRO
C=CCOCCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H](OC)C1	ZINC001212497492	872571124	/nfs/dbraw/zinc/57/11/24/872571124.db2.gz	OQXPREUNMTWYGT-KZNAEPCWSA-N	1	0	353.507	1.125	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNS(=O)(=O)Cc2csc(C#N)c2)CC1	ZINC000914406524	872749415	/nfs/dbraw/zinc/74/94/15/872749415.db2.gz	HBURBCDOBUWCGE-CYBMUJFWSA-N	1	0	356.517	1.065	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cnc3cc[nH]cc-3c2=O)C[C@H]1C	ZINC001106187376	873190938	/nfs/dbraw/zinc/19/09/38/873190938.db2.gz	HOIPXSYCWHSPJK-HUUCEWRRSA-N	1	0	370.453	1.423	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2ccoc2)CC1	ZINC001003363795	873218675	/nfs/dbraw/zinc/21/86/75/873218675.db2.gz	VAFPAMZNZPHCNS-QRVBRYPASA-N	1	0	369.465	1.415	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccn(CC(C)C)n2)C[C@H]1C	ZINC001106190493	873248352	/nfs/dbraw/zinc/24/83/52/873248352.db2.gz	MDLHFTIGCOWGJN-HZPDHXFCSA-N	1	0	361.490	1.139	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)[C@H](C)C1)OCC	ZINC001106197337	873463151	/nfs/dbraw/zinc/46/31/51/873463151.db2.gz	QWQDDRIJFDZHPB-BRWVUGGUSA-N	1	0	367.534	1.957	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C[C@H](C)N1CC#N	ZINC000916992616	882768519	/nfs/dbraw/zinc/76/85/19/882768519.db2.gz	RTRAEPABJFJEHY-CALCHBBNSA-N	1	0	363.506	1.259	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](CC)C[NH+]2CCCC2)c1	ZINC000674346217	882772549	/nfs/dbraw/zinc/77/25/49/882772549.db2.gz	JWKWYENFOGHSSB-INIZCTEOSA-N	1	0	365.499	1.755	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC2(c3ccccc3)CC2)C[C@H]1C	ZINC001106225700	873971377	/nfs/dbraw/zinc/97/13/77/873971377.db2.gz	CGZPBUOLAZTNKG-QZTJIDSGSA-N	1	0	367.493	1.542	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(OC)o1	ZINC001003676835	874013301	/nfs/dbraw/zinc/01/33/01/874013301.db2.gz	ORXGHAUKNOACBR-WCVJEAGWSA-N	1	0	371.437	1.248	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3c2COCC3)C[C@H]1C	ZINC001106233118	874041403	/nfs/dbraw/zinc/04/14/03/874041403.db2.gz	VOVQTGKQBKRYMB-NVXWUHKLSA-N	1	0	371.481	1.359	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@@H](C)CC)[C@H](C)C1	ZINC001106252263	874144566	/nfs/dbraw/zinc/14/45/66/874144566.db2.gz	IXDJUDLJAGNJGA-IXDOHACOSA-N	1	0	360.502	1.887	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cn(C)nc2C(F)F)C[C@H]1C	ZINC001106261173	874213461	/nfs/dbraw/zinc/21/34/61/874213461.db2.gz	VOMXSAAQKNZLFG-CHWSQXEVSA-N	1	0	354.401	1.305	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2cnn3ccccc23)C[C@H]1C	ZINC001106268320	874276184	/nfs/dbraw/zinc/27/61/84/874276184.db2.gz	PGXJUUXMDMZWIF-SJLPKXTDSA-N	1	0	356.470	1.764	20	30		FDEDRO
COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC3(C)C)C2)cc1C#N	ZINC001077534085	874276399	/nfs/dbraw/zinc/27/63/99/874276399.db2.gz	RMUWLTZOKAQKHO-GVDBMIGSSA-N	1	0	357.454	1.664	20	30		FDEDRO
C=CCn1cc(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)nn1	ZINC000648740220	874380319	/nfs/dbraw/zinc/38/03/19/874380319.db2.gz	RRJPITHYRJUEQU-UHFFFAOYSA-N	1	0	368.485	1.796	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccccc2CC)C[C@H]1C	ZINC001106305107	874648764	/nfs/dbraw/zinc/64/87/64/874648764.db2.gz	REDYTUIQXPLBTL-VQIMIIECSA-N	1	0	357.498	1.778	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C/C=C/c2ccccc2F)C[C@H]1C	ZINC001106313986	874753612	/nfs/dbraw/zinc/75/36/12/874753612.db2.gz	DSZRDKZLZVIKGI-ISQHREMWSA-N	1	0	371.456	1.663	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH]ccc-3n2)C[C@H]1C	ZINC001106317841	874764540	/nfs/dbraw/zinc/76/45/40/874764540.db2.gz	WLHUGOWOYARQJL-UKRRQHHQSA-N	1	0	355.442	1.163	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(C(F)(F)F)CCC2)C[C@H]1C	ZINC001106323908	874780972	/nfs/dbraw/zinc/78/09/72/874780972.db2.gz	DFPRQRYFMHIOHE-CHWSQXEVSA-N	1	0	361.408	1.705	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(C(F)(F)F)CCC2)C[C@H]1C	ZINC001106324357	874782233	/nfs/dbraw/zinc/78/22/33/874782233.db2.gz	LJEDZTWWTSULNS-CHWSQXEVSA-N	1	0	359.392	1.153	20	30		FDEDRO
N#Cc1ncn(CC(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)n1	ZINC000761983380	874923822	/nfs/dbraw/zinc/92/38/22/874923822.db2.gz	QZSODACJLWERNF-AWEZNQCLSA-N	1	0	374.832	1.290	20	30		FDEDRO
C=C(C)COCC[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl	ZINC000761987758	874946073	/nfs/dbraw/zinc/94/60/73/874946073.db2.gz	TXESYGVUHLWIBN-ZDUSSCGKSA-N	1	0	361.895	1.887	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CCC)C[C@H]1C	ZINC001106403457	875132688	/nfs/dbraw/zinc/13/26/88/875132688.db2.gz	AGIFJEGNXTVPDZ-SJLPKXTDSA-N	1	0	355.482	1.686	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)COc2c(C)occc2=O)C[C@H]1C	ZINC001106406157	875147210	/nfs/dbraw/zinc/14/72/10/875147210.db2.gz	BDGGCURNYQQTIP-GDBMZVCRSA-N	1	0	364.442	1.214	20	30		FDEDRO
CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C)C1	ZINC000993159796	875154675	/nfs/dbraw/zinc/15/46/75/875154675.db2.gz	WOPNINCTHRZLOQ-IERDGZPVSA-N	1	0	366.465	1.482	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CN(C(=O)[C@H](CC)[NH+](C)C)C[C@]3(C)C2)cn1	ZINC000993160348	875169897	/nfs/dbraw/zinc/16/98/97/875169897.db2.gz	ACWJKTCOFZDILD-MMOPVJDHSA-N	1	0	368.481	1.324	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3ccncc3n2)C[C@H]1C	ZINC001106440321	875307135	/nfs/dbraw/zinc/30/71/35/875307135.db2.gz	AVNSYIGRQBRRDB-NVXWUHKLSA-N	1	0	352.438	1.577	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)nc2C)C[C@H]1C	ZINC001106455357	875400561	/nfs/dbraw/zinc/40/05/61/875400561.db2.gz	PFQSFZXCHBKMCV-FHLIZLRMSA-N	1	0	370.497	1.442	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ncc(C)cc2C)C[C@H]1C	ZINC001106459147	875435330	/nfs/dbraw/zinc/43/53/30/875435330.db2.gz	OQCBCVHRPBKCJC-BRWVUGGUSA-N	1	0	358.486	1.687	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cn(C)nc2[C@@H]2CCOC2)C[C@H]1C	ZINC001106483274	875598726	/nfs/dbraw/zinc/59/87/26/875598726.db2.gz	UUTUNWWCHDJFOZ-BPLDGKMQSA-N	1	0	366.893	1.974	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cncc(-n3ccnn3)c2)C[C@H]1C	ZINC001106481845	875620328	/nfs/dbraw/zinc/62/03/28/875620328.db2.gz	YDHVKZKOKWDYCS-NVXWUHKLSA-N	1	0	354.458	1.926	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)o2)[C@H](C)C1	ZINC001106486386	875641294	/nfs/dbraw/zinc/64/12/94/875641294.db2.gz	QWIIOPWXQXGLTE-DDUZABMNSA-N	1	0	350.463	1.791	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C)nc2C(C)C)C[C@H]1C	ZINC001106488730	875656186	/nfs/dbraw/zinc/65/61/86/875656186.db2.gz	USPJFYNWWIHUQB-NVXWUHKLSA-N	1	0	370.497	1.561	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(C)CCCC2)C[C@H]1C	ZINC001106493062	875672906	/nfs/dbraw/zinc/67/29/06/875672906.db2.gz	TWTWBDXNSYMNAA-HUUCEWRRSA-N	1	0	364.490	1.263	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C(C)C)on2)C[C@H]1C	ZINC001106492337	875693978	/nfs/dbraw/zinc/69/39/78/875693978.db2.gz	PWKWMCVHJWWWCY-QLFBSQMISA-N	1	0	362.474	1.786	20	30		FDEDRO
C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CC[C@H](C)[C@H]3CCCC[C@@H]32)c1=O	ZINC000915208721	875751545	/nfs/dbraw/zinc/75/15/45/875751545.db2.gz	GKYIDWKEAORGCM-BBWFWOEESA-N	1	0	374.485	1.402	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)NC(=O)C(C)(C)C)C[C@H]1C	ZINC001106505147	875754978	/nfs/dbraw/zinc/75/49/78/875754978.db2.gz	HAIJUCNMKWNXDQ-BZUAXINKSA-N	1	0	353.507	1.424	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(-c3nc[nH]n3)c2)C[C@H]1C	ZINC001106514013	875786047	/nfs/dbraw/zinc/78/60/47/875786047.db2.gz	ZYDKFJMZCCXBKO-CRAIPNDOSA-N	1	0	367.453	1.419	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N[C@@H](C)CC)[C@H](C)C2)cc1	ZINC001106512030	875799777	/nfs/dbraw/zinc/79/97/77/875799777.db2.gz	ASXBTLQVIBRZKL-JTDSTZFVSA-N	1	0	355.482	1.880	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2ccccn2)C[C@H]1C	ZINC001106514513	875820282	/nfs/dbraw/zinc/82/02/82/875820282.db2.gz	WAOBQCASBOIHAG-IXDOHACOSA-N	1	0	358.486	1.389	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2cn(C)nc2OC)C[C@H]1C	ZINC001106514491	875820391	/nfs/dbraw/zinc/82/03/91/875820391.db2.gz	UWOXMIACLOCXMC-ZYHUDNBSSA-N	1	0	371.279	1.635	20	30		FDEDRO
C[C@H](CC(N)=O)C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccc(F)cc2)[C@H](C)C1	ZINC001106522052	875825941	/nfs/dbraw/zinc/82/59/41/875825941.db2.gz	BNJDLFXBCONQFJ-BFYDXBDKSA-N	1	0	359.445	1.373	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)CC1	ZINC000917097751	882966652	/nfs/dbraw/zinc/96/66/52/882966652.db2.gz	IHJGWQQZAOLXDC-HNNXBMFYSA-N	1	0	368.478	1.877	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3nc(C)n(C)c3c2)C[C@H]1C	ZINC001106521113	875838010	/nfs/dbraw/zinc/83/80/10/875838010.db2.gz	HHOHVYOQWXCZCX-CRAIPNDOSA-N	1	0	368.481	1.829	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2c(C)n[nH]c2C)[C@H](C)C1	ZINC001106528470	875848690	/nfs/dbraw/zinc/84/86/90/875848690.db2.gz	ADVUDVRKATXGGH-IUODEOHRSA-N	1	0	361.490	1.861	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H](C[NH2+]Cc2nc(COC)no2)[C@H](C)C1	ZINC001106533630	875885081	/nfs/dbraw/zinc/88/50/81/875885081.db2.gz	DAUJBFQIUPHVPN-HZPDHXFCSA-N	1	0	362.474	1.984	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H](C[NH2+]C[C@@H](C)CS(C)(=O)=O)[C@H](C)C1	ZINC001106533778	875886421	/nfs/dbraw/zinc/88/64/21/875886421.db2.gz	KIYFYJIXSWTIQB-KZNAEPCWSA-N	1	0	370.559	1.935	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CCOCCNC(C)=O)[C@H](C)C1	ZINC001106564074	875963825	/nfs/dbraw/zinc/96/38/25/875963825.db2.gz	RKKOMALXNPEBKA-JFIYKMOQSA-N	1	0	353.507	1.426	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]CC2CCS(=O)(=O)CC2)[C@H](C)C1	ZINC001106559116	875965708	/nfs/dbraw/zinc/96/57/08/875965708.db2.gz	DZJCCNXULFDVES-SJLPKXTDSA-N	1	0	368.543	1.689	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC2(C)C)C[C@H]1C	ZINC001106560354	875970570	/nfs/dbraw/zinc/97/05/70/875970570.db2.gz	OUWCTFJTXBDNKE-BRWVUGGUSA-N	1	0	362.518	1.869	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(c3cc(C)no3)CC2)C[C@H]1C	ZINC001106580012	876023725	/nfs/dbraw/zinc/02/37/25/876023725.db2.gz	VDIVPWMMJZJWBN-UKRRQHHQSA-N	1	0	360.458	1.001	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCCC2(F)F)C[C@H]1C	ZINC001106582128	876029969	/nfs/dbraw/zinc/02/99/69/876029969.db2.gz	ULUQECQMJLAZQD-RBSFLKMASA-N	1	0	355.429	1.245	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc3n[nH]cc3c2)C[C@H]1C	ZINC001106591384	876060777	/nfs/dbraw/zinc/06/07/77/876060777.db2.gz	ZARNHPJGDGOUFJ-CKEIUWERSA-N	1	0	369.469	1.551	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)CSCC#N)[C@@H](n2ccnn2)C1	ZINC001128732397	882993361	/nfs/dbraw/zinc/99/33/61/882993361.db2.gz	ZDJUPDHYEUNRBB-CVEARBPZSA-N	1	0	364.519	1.847	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NCC=C)[C@H](C)C1	ZINC001106612805	876175284	/nfs/dbraw/zinc/17/52/84/876175284.db2.gz	ODSAAJQNOFWYMS-OWCLPIDISA-N	1	0	364.490	1.427	20	30		FDEDRO
Cc1cc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)ccc1Cl	ZINC001106617119	876229041	/nfs/dbraw/zinc/22/90/41/876229041.db2.gz	HPCGZYJSEMHGJF-UKRRQHHQSA-N	1	0	362.861	1.586	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2cc(C)ccc2C)C[C@H]1C	ZINC001106622703	876249010	/nfs/dbraw/zinc/24/90/10/876249010.db2.gz	LWTSQLUBVZBONM-WSTZPKSXSA-N	1	0	369.509	1.668	20	30		FDEDRO
N#Cc1cc(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn3cccn3)C2)c[nH]1	ZINC001099240508	876255077	/nfs/dbraw/zinc/25/50/77/876255077.db2.gz	MNVHAKOTIHBWIP-ZIAGYGMSSA-N	1	0	366.347	1.376	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCOCC)[C@H](C)C1	ZINC001106629442	876277301	/nfs/dbraw/zinc/27/73/01/876277301.db2.gz	LTWGVKKDMLSBAJ-GPMSIDNRSA-N	1	0	353.507	1.426	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C[NH2+]C[C@H](O)Cn3cccn3)[C@H](C)C2)CC1	ZINC001106633896	876285079	/nfs/dbraw/zinc/28/50/79/876285079.db2.gz	XDYUPDBHDZYCKJ-QRQLOZEOSA-N	1	0	360.502	1.675	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]CCN3C(=O)CCC3=O)[C@H](C)C2)CCC1	ZINC001106631002	876294153	/nfs/dbraw/zinc/29/41/53/876294153.db2.gz	HXQGEYKWEBJKOJ-HZPDHXFCSA-N	1	0	361.486	1.566	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)NCC(C)C)[C@H](C)C2)c1	ZINC001106650249	876386874	/nfs/dbraw/zinc/38/68/74/876386874.db2.gz	GAIDUXFJHAGPNY-GPMSIDNRSA-N	1	0	370.497	1.521	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CC3(CC3)C2)C[C@H]1C	ZINC001106654421	876403034	/nfs/dbraw/zinc/40/30/34/876403034.db2.gz	YMKNEWGDQBLVFM-NVXWUHKLSA-N	1	0	360.502	1.623	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(F)ccc2Cl)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106694292	876577433	/nfs/dbraw/zinc/57/74/33/876577433.db2.gz	CGSVXVLPRNPDJM-VXGBXAGGSA-N	1	0	366.824	1.417	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2[C@@H]3CCCCCC[C@@H]23)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106699660	876608846	/nfs/dbraw/zinc/60/88/46/876608846.db2.gz	WIDOTBROIQYCHI-QBPKDAKJSA-N	1	0	360.502	1.527	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2cccc(F)c2F)C[C@H]1C	ZINC001106704973	876881932	/nfs/dbraw/zinc/88/19/32/876881932.db2.gz	LJWBNBKXUKOOFZ-GDBMZVCRSA-N	1	0	350.409	1.841	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@@H]2CCOC2)[C@H](C)C1	ZINC001106710753	876897345	/nfs/dbraw/zinc/89/73/45/876897345.db2.gz	VDHJKUNYKAUWDZ-IXDOHACOSA-N	1	0	365.518	1.426	20	30		FDEDRO
C#CCN(C(=O)NCC(=O)Nc1cccc(CC)c1)C1CC[NH+](C)CC1	ZINC000915517967	877005631	/nfs/dbraw/zinc/00/56/31/877005631.db2.gz	NVQJMBKHFVTJTA-UHFFFAOYSA-N	1	0	356.470	1.927	20	30		FDEDRO
Cc1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](C)C#N)ccc2c[nH+]cn21	ZINC001003809543	877255414	/nfs/dbraw/zinc/25/54/14/877255414.db2.gz	YEDXEEIMGWYFGA-AADNMHCOSA-N	1	0	351.410	1.664	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2csnn2)[C@H](C)C1	ZINC001106733381	877270509	/nfs/dbraw/zinc/27/05/09/877270509.db2.gz	UNCHYOPVUZTBHB-XNRPHZJLSA-N	1	0	365.503	1.193	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2cnc(C)o2)[C@H](C)C1	ZINC001106734235	877281815	/nfs/dbraw/zinc/28/18/15/877281815.db2.gz	SQPWOJAHTNTYBH-MZMPZRCHSA-N	1	0	362.474	1.638	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccnc4[nH]c(C)nc43)[C@H]2C1	ZINC001083150423	912221702	/nfs/dbraw/zinc/22/17/02/912221702.db2.gz	WATYVVRPOXUGQD-JKSUJKDBSA-N	1	0	355.442	1.758	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@@]3(C)C2)CC1	ZINC000993363468	877554343	/nfs/dbraw/zinc/55/43/43/877554343.db2.gz	LGNLTEMULTWIID-VPWXQRGCSA-N	1	0	360.502	1.573	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C[NH2+]CC#Cc1ccccc1Cl	ZINC001106761449	877616074	/nfs/dbraw/zinc/61/60/74/877616074.db2.gz	LYXKKVJFXIXDIZ-GDBMZVCRSA-N	1	0	371.872	1.818	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)c2c(C)noc2C)C[C@H]1C	ZINC001106763374	877619550	/nfs/dbraw/zinc/61/95/50/877619550.db2.gz	FALNBAWJTABULF-XJKCOSOUSA-N	1	0	362.474	1.381	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(Cl)ccc2C)C[C@H]1C	ZINC001106778163	877785536	/nfs/dbraw/zinc/78/55/36/877785536.db2.gz	BXPYWCZJFDMBIS-HUUCEWRRSA-N	1	0	361.873	1.696	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccncc2OCC(F)(F)F)CC1	ZINC000922343309	877803660	/nfs/dbraw/zinc/80/36/60/877803660.db2.gz	GAUGDDSCYAPPDK-UHFFFAOYSA-N	1	0	370.375	1.920	20	30		FDEDRO
N#CCc1ccccc1C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000922351206	877866079	/nfs/dbraw/zinc/86/60/79/877866079.db2.gz	NERREXVRNQPJLZ-SFHVURJKSA-N	1	0	356.470	1.279	20	30		FDEDRO
N#CCc1ccccc1C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000922351205	877866327	/nfs/dbraw/zinc/86/63/27/877866327.db2.gz	NERREXVRNQPJLZ-GOSISDBHSA-N	1	0	356.470	1.279	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@]3(C)C2)c1	ZINC000993401448	877903713	/nfs/dbraw/zinc/90/37/13/877903713.db2.gz	KIRNWBMWSKFIMD-NQIIRXRSSA-N	1	0	366.465	1.079	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ncccn2)C[C@H]1C	ZINC001106788606	877926209	/nfs/dbraw/zinc/92/62/09/877926209.db2.gz	DIFXUVWSUMJUBJ-HZPDHXFCSA-N	1	0	359.474	1.199	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(Cn4ccnn4)o3)[C@H]2C1	ZINC001083151113	912295747	/nfs/dbraw/zinc/29/57/47/912295747.db2.gz	JDHLXIRTZUQXSG-DOTOQJQBSA-N	1	0	357.414	1.021	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2cccc(-n3cncn3)n2)C[C@H]1C	ZINC001106815362	878231849	/nfs/dbraw/zinc/23/18/49/878231849.db2.gz	ZHIWLLVHAYMTQJ-HZPDHXFCSA-N	1	0	354.458	1.926	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CC[NH+](C)C)C2	ZINC001004273858	878744615	/nfs/dbraw/zinc/74/46/15/878744615.db2.gz	UJZMUCXDOMQZSE-WLWJZTKJSA-N	1	0	368.481	1.812	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2OC)CC1	ZINC000946587376	878796132	/nfs/dbraw/zinc/79/61/32/878796132.db2.gz	HSZNKSFGQUAAID-VDHUWJSZSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C	ZINC000673594742	878807761	/nfs/dbraw/zinc/80/77/61/878807761.db2.gz	FDVAZQIMZCODQR-GOSISDBHSA-N	1	0	373.497	1.818	20	30		FDEDRO
C#Cc1ccc(CNC(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1	ZINC000922665730	878954780	/nfs/dbraw/zinc/95/47/80/878954780.db2.gz	LPLGNEISAPOBEY-ANTGDGSKSA-N	1	0	355.482	1.947	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnoc2C2CC2)C[C@H]1C	ZINC001106827625	879095684	/nfs/dbraw/zinc/09/56/84/879095684.db2.gz	IZYWYLKVCLFSIC-UMVBOHGHSA-N	1	0	360.458	1.540	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCN(C(C)(C)C)C3=O)[C@H]2C1	ZINC001083171400	912452893	/nfs/dbraw/zinc/45/28/93/912452893.db2.gz	AUCVFRWGWIQJMT-YESZJQIVSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)C2CC[NH+](C(C)C)CC2)C1	ZINC001004532832	879800671	/nfs/dbraw/zinc/80/06/71/879800671.db2.gz	ANEAPCIYVZCFCV-MSOLQXFVSA-N	1	0	363.502	1.273	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1	ZINC001004533070	879803890	/nfs/dbraw/zinc/80/38/90/879803890.db2.gz	GMKXTJROEGGHCU-FGTMMUONSA-N	1	0	363.502	1.273	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC(N)=O)CC1	ZINC001004582798	879907098	/nfs/dbraw/zinc/90/70/98/879907098.db2.gz	YMMABJPFACMSIZ-LNLFQRSKSA-N	1	0	363.502	1.546	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C)c3)C[C@@H]2O)cc1	ZINC001083842424	879914995	/nfs/dbraw/zinc/91/49/95/879914995.db2.gz	LHXQBVAGOOXNSL-RTWAWAEBSA-N	1	0	364.445	1.982	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CCC)C[C@H]2OC)C1	ZINC000946635580	879958512	/nfs/dbraw/zinc/95/85/12/879958512.db2.gz	XEIKEFDLVCHPPE-BRWVUGGUSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCC(F)(F)C3)C[C@@H]2O)nn1	ZINC001083843679	879963211	/nfs/dbraw/zinc/96/32/11/879963211.db2.gz	SZVBSGDYNCIGPO-GUTXKFCHSA-N	1	0	369.416	1.065	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H](CC)c3ccccc3)C[C@@H]2O)nn1	ZINC001083843384	879972870	/nfs/dbraw/zinc/97/28/70/879972870.db2.gz	FNHDBMBGSKLVIK-NXHRZFHOSA-N	1	0	355.442	1.390	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC000993907277	880110377	/nfs/dbraw/zinc/11/03/77/880110377.db2.gz	COOMLLCMXNRYRX-HUUCEWRRSA-N	1	0	371.485	1.443	20	30		FDEDRO
Cc1cc(C)cc(CCC(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)c1	ZINC001106837733	880212726	/nfs/dbraw/zinc/21/27/26/880212726.db2.gz	SIQIOSMCEVHMCC-IEBWSBKVSA-N	1	0	370.497	1.560	20	30		FDEDRO
C[C@@H]1CN(CCN(C)C(=O)c2ccn(-c3cccc(C#N)c3)n2)C[C@H](C)O1	ZINC000282289425	912582521	/nfs/dbraw/zinc/58/25/21/912582521.db2.gz	KOJXCAWYLHSAQJ-IYBDPMFKSA-N	1	0	367.453	1.925	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)[C@@H]3CC=CCC3)C[C@H]2C)CC1	ZINC000994135041	880691774	/nfs/dbraw/zinc/69/17/74/880691774.db2.gz	HNURWWOKSASLOZ-MISYRCLQSA-N	1	0	371.525	1.899	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)c3ccoc3)C[C@H]2C)CC1	ZINC000994135016	880779120	/nfs/dbraw/zinc/77/91/20/880779120.db2.gz	HEZAWVLQCFCPBR-CRAIPNDOSA-N	1	0	357.454	1.449	20	30		FDEDRO
CCOc1cnc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cn1	ZINC000186731469	881166191	/nfs/dbraw/zinc/16/61/91/881166191.db2.gz	OXJIVMXTXYZPSC-UHFFFAOYSA-N	1	0	353.426	1.951	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C	ZINC000994242503	881282150	/nfs/dbraw/zinc/28/21/50/881282150.db2.gz	WQOCTWZIEPUVKY-FRFSOERESA-N	1	0	357.458	1.195	20	30		FDEDRO
CCN(C(=O)[C@H]1C[C@@H](C)CC(=O)N1)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1	ZINC001033836233	883188030	/nfs/dbraw/zinc/18/80/30/883188030.db2.gz	HLCWJFYZTKDMBF-ATZDWAIDSA-N	1	0	368.481	1.896	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)CC1	ZINC000917242279	883241249	/nfs/dbraw/zinc/24/12/49/883241249.db2.gz	KVZZJZRCNHSHLA-MRXNPFEDSA-N	1	0	362.424	1.940	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC[NH+](CCN2CCCC2=O)CC1	ZINC001005411287	883265428	/nfs/dbraw/zinc/26/54/28/883265428.db2.gz	XWAAADLMRBLZKW-MSOLQXFVSA-N	1	0	363.502	1.513	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)COC2CCCC2)[C@@H](n2ccnn2)C1	ZINC001128763599	883329636	/nfs/dbraw/zinc/32/96/36/883329636.db2.gz	KLULMOVKNYAQIX-NXHRZFHOSA-N	1	0	361.490	1.934	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N(C)C1CC[NH+](CC#Cc2ccccc2)CC1	ZINC001005523337	883919049	/nfs/dbraw/zinc/91/90/49/883919049.db2.gz	ZPUXFSGOAVALEW-PXNSSMCTSA-N	1	0	356.466	1.765	20	30		FDEDRO
C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCCNc1ccc(C#N)cn1	ZINC000918131147	884131219	/nfs/dbraw/zinc/13/12/19/884131219.db2.gz	GYPNTWLULZXOGR-GOSISDBHSA-N	1	0	366.469	1.837	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(c3nc(Cl)c(C#N)s3)C2)CC[N@@H+]1C	ZINC001061758158	884465036	/nfs/dbraw/zinc/46/50/36/884465036.db2.gz	XRCJKHUIASOYSL-GRYCIOLGSA-N	1	0	367.906	1.951	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@@H]1n1ccnn1	ZINC001128961620	884484893	/nfs/dbraw/zinc/48/48/93/884484893.db2.gz	FYQUZKFMXNSPGV-JTDSTZFVSA-N	1	0	363.506	1.773	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CC[NH2+][C@@H]2CCCN(C)C2=O)CC1	ZINC001034569129	884507697	/nfs/dbraw/zinc/50/76/97/884507697.db2.gz	PLNJHJUVXMRFCE-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1	ZINC001034697532	884816798	/nfs/dbraw/zinc/81/67/98/884816798.db2.gz	OLIULGRBDHSBKB-MKXGPGLRSA-N	1	0	365.518	1.459	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(C[NH+](C)C)CC2)c1	ZINC000918695744	884846653	/nfs/dbraw/zinc/84/66/53/884846653.db2.gz	SDDCYZSXKCDVJV-UHFFFAOYSA-N	1	0	363.483	1.012	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)CCOCC(F)F)[C@@H](n2ccnn2)C1	ZINC001128993724	884892597	/nfs/dbraw/zinc/89/25/97/884892597.db2.gz	ONGJVLRSNVXGRV-KGLIPLIRSA-N	1	0	357.405	1.258	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCC[C@](O)(C[NH+](C)C)C1	ZINC000918972700	885132687	/nfs/dbraw/zinc/13/26/87/885132687.db2.gz	RSMAGUBKJAVUJU-SFHVURJKSA-N	1	0	365.499	1.393	20	30		FDEDRO
N#Cc1ccc(C[NH2+]Cc2ccc(CNC(=O)[C@H]3C[C@H]3C(N)=O)cc2)s1	ZINC001034825468	885220516	/nfs/dbraw/zinc/22/05/16/885220516.db2.gz	FGRWSDNWYBZIMT-SJORKVTESA-N	1	0	368.462	1.647	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1C[N@H+](CCCOC)C[C@@H]1n1ccnn1)OCC	ZINC001129029710	885340346	/nfs/dbraw/zinc/34/03/46/885340346.db2.gz	KXXAVPCEWSNLBO-IKGGRYGDSA-N	1	0	365.478	1.027	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CC[C@@H](C(N)=O)C2)s1	ZINC001035051711	885556001	/nfs/dbraw/zinc/55/60/01/885556001.db2.gz	YVHPDGURJRIEFA-HZSPNIEDSA-N	1	0	360.483	1.602	20	30		FDEDRO
CC1(C)C[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+](Cc2cccc(C#N)c2)C1	ZINC001089493673	885677122	/nfs/dbraw/zinc/67/71/22/885677122.db2.gz	YWEWFLDAVHMDDN-KURKYZTESA-N	1	0	368.481	1.786	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NC3CCCC3)[C@H](C)C2)cn1	ZINC001106894163	885693354	/nfs/dbraw/zinc/69/33/54/885693354.db2.gz	CQONDHANXRXMJY-NVXWUHKLSA-N	1	0	368.481	1.419	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cncc(CC)c2)[C@@H](n2ccnn2)C1	ZINC001129103342	885701628	/nfs/dbraw/zinc/70/16/28/885701628.db2.gz	KTJOQCBACNIINR-MSOLQXFVSA-N	1	0	354.458	1.857	20	30		FDEDRO
C=C(C)CN1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](n2ccnn2)C1	ZINC001129128427	885826331	/nfs/dbraw/zinc/82/63/31/885826331.db2.gz	WUWXGDNCJLVCGC-SJORKVTESA-N	1	0	360.506	1.460	20	30		FDEDRO
C#CCCCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](CC)OC)C[C@@H]1n1ccnn1	ZINC001129180591	886024208	/nfs/dbraw/zinc/02/42/08/886024208.db2.gz	SPOSDCVORZMAMP-KURKYZTESA-N	1	0	361.490	1.628	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCC2CCOCC2)CCO1	ZINC001035540575	886128731	/nfs/dbraw/zinc/12/87/31/886128731.db2.gz	BSJDENFLUKOYEM-QYZOEREBSA-N	1	0	366.502	1.601	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1n1ccnn1	ZINC001129189809	886161027	/nfs/dbraw/zinc/16/10/27/886161027.db2.gz	YTPMAHYKKINQOS-KURKYZTESA-N	1	0	359.474	1.240	20	30		FDEDRO
C[N@H+](CCNC(=O)NCCNc1ccc(C#N)cn1)Cc1ccccc1	ZINC000919790012	886190405	/nfs/dbraw/zinc/19/04/05/886190405.db2.gz	HRXMZQPMJUUFHV-UHFFFAOYSA-N	1	0	352.442	1.796	20	30		FDEDRO
COC(=O)c1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cn1	ZINC000195142360	886232798	/nfs/dbraw/zinc/23/27/98/886232798.db2.gz	LITIOGJAYVVAQC-UHFFFAOYSA-N	1	0	366.421	1.944	20	30		FDEDRO
C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)CC2	ZINC001035734191	886399005	/nfs/dbraw/zinc/39/90/05/886399005.db2.gz	QMPSEXWKEJMFJP-KGLIPLIRSA-N	1	0	362.392	1.833	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CCCC=C)C[C@@H]2n2ccnn2)c1	ZINC001129243324	886810499	/nfs/dbraw/zinc/81/04/99/886810499.db2.gz	NVLPOILLXJWZFM-MSOLQXFVSA-N	1	0	350.426	1.276	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CN(C)c3ccc(C#N)nn3)C2)CC[N@@H+]1C	ZINC001062185596	886956473	/nfs/dbraw/zinc/95/64/73/886956473.db2.gz	PXHSTTBWEAWWKK-HYVNUMGLSA-N	1	0	356.474	1.363	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC(CN(C)c3cncc(C#N)n3)CC2)CC[N@@H+]1C	ZINC001062234680	886990984	/nfs/dbraw/zinc/99/09/84/886990984.db2.gz	HPVSGJOTXRAFPC-RHSMWYFYSA-N	1	0	356.474	1.363	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCN1C(=O)C[NH+](CC)CC	ZINC001062228280	886993411	/nfs/dbraw/zinc/99/34/11/886993411.db2.gz	VEKPAJWUGHXWAU-ZACQAIPSSA-N	1	0	351.491	1.417	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCCOc2ccc(F)cc2)C[C@H]1NC(=O)C#CC1CC1	ZINC001212250695	887191724	/nfs/dbraw/zinc/19/17/24/887191724.db2.gz	FXRQXRWIAFGFMQ-RTBURBONSA-N	1	0	360.429	1.823	20	30		FDEDRO
Cn1nc(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1C1CC1	ZINC000329780588	887232990	/nfs/dbraw/zinc/23/29/90/887232990.db2.gz	MSSGBPXCQZHPPF-WBVHZDCISA-N	1	0	361.490	2.391	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc3nonc3c2)C1	ZINC001031680883	887358897	/nfs/dbraw/zinc/35/88/97/887358897.db2.gz	URABYDUITVNMDW-QAPCUYQASA-N	1	0	356.426	1.752	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H](n2cc(C[NH2+]C(C)C)nn2)C1	ZINC001089592632	887559757	/nfs/dbraw/zinc/55/97/57/887559757.db2.gz	WTRNXRZWFKADSG-BZSNNMDCSA-N	1	0	361.490	1.921	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])n1	ZINC000415438211	887613335	/nfs/dbraw/zinc/61/33/35/887613335.db2.gz	LUBZKZBINUUHAF-IUODEOHRSA-N	1	0	356.405	2.522	20	30		FDEDRO
C[C@]1(CNC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCC[NH2+]C1	ZINC000415440779	887733163	/nfs/dbraw/zinc/73/31/63/887733163.db2.gz	OTIQUCONIIHPFB-SFHVURJKSA-N	1	0	356.405	2.394	20	30		FDEDRO
CC[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)C1	ZINC000921407396	887902733	/nfs/dbraw/zinc/90/27/33/887902733.db2.gz	ZYVQEXSHBHHQMU-BHYGNILZSA-N	1	0	356.474	1.879	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NCC[C@H]3CNC(=O)C3)CC2)c1	ZINC000923093061	888007109	/nfs/dbraw/zinc/00/71/09/888007109.db2.gz	XNYIEHLSMWUAEL-MRXNPFEDSA-N	1	0	369.469	1.348	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1)C1CC[NH+](C)CC1	ZINC000921493627	888039527	/nfs/dbraw/zinc/03/95/27/888039527.db2.gz	SHWVKQYBLOIRPN-RBUKOAKNSA-N	1	0	362.518	1.369	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc(C(C)C)n[nH]2)[C@@H](n2ccnn2)C1	ZINC001129279333	888131472	/nfs/dbraw/zinc/13/14/72/888131472.db2.gz	DRYDZHJKGUOYNP-SJORKVTESA-N	1	0	357.462	1.746	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2c2sccc2C)C1	ZINC000994750992	888172939	/nfs/dbraw/zinc/17/29/39/888172939.db2.gz	KMDQNSLVPZKESM-ZACQAIPSSA-N	1	0	371.506	1.585	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC(NC(=O)Cc2c[nH]cn2)CC1	ZINC000946867106	888213737	/nfs/dbraw/zinc/21/37/37/888213737.db2.gz	JNJIPKULPJBNJC-WMZOPIPTSA-N	1	0	360.458	1.431	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)OC)C[C@H]2OC)cc1	ZINC001212268179	888571738	/nfs/dbraw/zinc/57/17/38/888571738.db2.gz	SXFBTDCWTJLOHK-ATZDWAIDSA-N	1	0	360.454	1.553	20	30		FDEDRO
C=CCOCCCNC(=O)N[C@@H]1C[C@@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O	ZINC000923278160	888722772	/nfs/dbraw/zinc/72/27/72/888722772.db2.gz	PRLAUFGEPGAHNA-MTNOOBJLSA-N	1	0	353.507	1.748	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1NC(=O)CCOCC1CC1	ZINC001212270527	888839910	/nfs/dbraw/zinc/83/99/10/888839910.db2.gz	TXNINCPMLCMKLY-RTBURBONSA-N	1	0	357.454	1.690	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1	ZINC000938862832	889440671	/nfs/dbraw/zinc/44/06/71/889440671.db2.gz	CDODPCZOGACHKF-UHOSZYNNSA-N	1	0	371.481	1.670	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1	ZINC001112543676	889448866	/nfs/dbraw/zinc/44/88/66/889448866.db2.gz	OAHZKSRZUACVNT-JPLJXNOCSA-N	1	0	366.502	1.195	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCCN2C(=O)C(C)C)[C@@H](O)C1	ZINC001084085722	913349156	/nfs/dbraw/zinc/34/91/56/913349156.db2.gz	CJASUKVNZRIQOD-ZACQAIPSSA-N	1	0	351.491	1.151	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[C@H]3CC(C)C)C2)CC1	ZINC000938866914	889473980	/nfs/dbraw/zinc/47/39/80/889473980.db2.gz	XYUQOMTZTGFERW-CEXWTWQISA-N	1	0	359.514	1.731	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C(C)C)C1CCCC1	ZINC001127605176	889512478	/nfs/dbraw/zinc/51/24/78/889512478.db2.gz	STRUXYYYFAJRCA-MSOLQXFVSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCc1cccc(C)c1	ZINC001127609215	889737018	/nfs/dbraw/zinc/73/70/18/889737018.db2.gz	PVZRFYZPAACZNA-MSOLQXFVSA-N	1	0	359.470	1.298	20	30		FDEDRO
COCC#CCN1C[C@@H](NC(=O)c2oc(CC3CC3)nc2C)[C@H](OC)C1	ZINC001212289611	889737192	/nfs/dbraw/zinc/73/71/92/889737192.db2.gz	MGVSOUYVHDEKDC-HZPDHXFCSA-N	1	0	361.442	1.014	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc2oc(=O)n(C)c2c1	ZINC001127609317	889740993	/nfs/dbraw/zinc/74/09/93/889740993.db2.gz	VLNDXOZXAVVVGY-ZBFHGGJFSA-N	1	0	359.426	1.319	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)CCCc2csc(C)n2)[C@H](OC)C1	ZINC001212291157	889783688	/nfs/dbraw/zinc/78/36/88/889783688.db2.gz	DUEHFXXLKFSBES-IAGOWNOFSA-N	1	0	367.515	1.792	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc1	ZINC000368456795	889970845	/nfs/dbraw/zinc/97/08/45/889970845.db2.gz	DEDLCTNPQWAJAB-OAHLLOKOSA-N	1	0	350.426	2.139	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cn(-c3ccccc3)cn2)[C@H](OC)C1	ZINC001212301058	889979688	/nfs/dbraw/zinc/97/96/88/889979688.db2.gz	AJGWHIHOYQBOQF-IEBWSBKVSA-N	1	0	370.453	1.504	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1	ZINC000999878671	913402839	/nfs/dbraw/zinc/40/28/39/913402839.db2.gz	UGPCMTPBHPMPTE-VCBZYWHSSA-N	1	0	367.465	1.117	20	30		FDEDRO
C=CCOCCCC(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1	ZINC001062751902	890030002	/nfs/dbraw/zinc/03/00/02/890030002.db2.gz	SBOMKBJZIRPCLZ-HZPDHXFCSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cc(C3CC3)no2)[C@@H](n2ccnn2)C1	ZINC001129289378	890069632	/nfs/dbraw/zinc/06/96/32/890069632.db2.gz	XNGNZVFBCZMPGH-CVEARBPZSA-N	1	0	356.430	1.765	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc(Cl)c2)C[C@H]1C	ZINC001106912476	890076344	/nfs/dbraw/zinc/07/63/44/890076344.db2.gz	CVUPMCLAZUGMQW-IJEWVQPXSA-N	1	0	361.873	1.776	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1CN(CC(=O)N[C@H](C)CCC)C[C@H]1OC	ZINC001212341245	890463134	/nfs/dbraw/zinc/46/31/34/890463134.db2.gz	XZWPZFDIRHUQDK-BZUAXINKSA-N	1	0	353.507	1.709	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCc2ccc(CNc3ccnc(C#N)n3)cc2)CC[N@@H+]1C	ZINC001063425189	890536237	/nfs/dbraw/zinc/53/62/37/890536237.db2.gz	ZGCCOHMNVKAZCM-RHSMWYFYSA-N	1	0	364.453	1.339	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](CCn2nc(C)nc2C)CC1	ZINC001001850546	891447722	/nfs/dbraw/zinc/44/77/22/891447722.db2.gz	AYLAYZGUPMNGKZ-MSOLQXFVSA-N	1	0	361.490	1.314	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](C[C@@H]2CCc3ncnn32)CC1	ZINC001001852893	891457694	/nfs/dbraw/zinc/45/76/94/891457694.db2.gz	XZRHDKMOAYHKIU-BBWFWOEESA-N	1	0	359.474	1.185	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1	ZINC001001869103	891529877	/nfs/dbraw/zinc/52/98/77/891529877.db2.gz	ARQSIRZTEYALPB-KURKYZTESA-N	1	0	363.502	1.415	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C#N)c[nH]1)C2)[NH+](C)C	ZINC001001892218	891574472	/nfs/dbraw/zinc/57/44/72/891574472.db2.gz	XIUJLEFWJJCAJD-JHNDHUHGSA-N	1	0	357.458	1.334	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C)c1	ZINC000940012740	891634464	/nfs/dbraw/zinc/63/44/64/891634464.db2.gz	UHVQRCZPJQPCCE-CRAIPNDOSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C[C@H]2C)c1	ZINC000940012949	891636525	/nfs/dbraw/zinc/63/65/25/891636525.db2.gz	ZOMWHQZDQPSDLH-LZQZEXGQSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CC[NH+]([C@H]2CCN(C)C2=O)CC1	ZINC001001934158	891686177	/nfs/dbraw/zinc/68/61/77/891686177.db2.gz	NQMUBCDBSRCEHT-BZSNNMDCSA-N	1	0	363.502	1.417	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C#N)[nH]1)C2	ZINC001002091657	891914416	/nfs/dbraw/zinc/91/44/16/891914416.db2.gz	SMZAQFMCLCSMGT-AHCXZYCDSA-N	1	0	369.469	1.622	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(C)o1)C2	ZINC001002103637	891924667	/nfs/dbraw/zinc/92/46/67/891924667.db2.gz	NUCHPSSDFSHKPK-YSHGAJCASA-N	1	0	369.465	1.476	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC34CCCC4)C2)CC1	ZINC000940194135	891974481	/nfs/dbraw/zinc/97/44/81/891974481.db2.gz	YCGJKWAVUUYSDZ-NZSAHSFTSA-N	1	0	371.525	1.875	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c[nH]c(C#N)c2)C3)CC[N@@H+]1C	ZINC001002143008	891982498	/nfs/dbraw/zinc/98/24/98/891982498.db2.gz	YGYPHQLUQFMMDU-YFTGLANFSA-N	1	0	355.442	1.088	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)cn1	ZINC000940286976	892202093	/nfs/dbraw/zinc/20/20/93/892202093.db2.gz	BWRWOSRSWXMRCR-RVKKMQEKSA-N	1	0	354.454	1.124	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1	ZINC000940309894	892250962	/nfs/dbraw/zinc/25/09/62/892250962.db2.gz	RXNOBBAQFZFQFM-IIDMSEBBSA-N	1	0	356.470	1.527	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CC(C)(C)CO2)C[C@H]1C	ZINC001106919774	892467790	/nfs/dbraw/zinc/46/77/90/892467790.db2.gz	BSCATGHXUHFNSX-KURKYZTESA-N	1	0	350.503	1.916	20	30		FDEDRO
CCC[C@@H](NC(N)=O)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1	ZINC001106925697	892730807	/nfs/dbraw/zinc/73/08/07/892730807.db2.gz	SXJHZSNMJJQVMW-ZTFGCOKTSA-N	1	0	371.485	1.579	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)c1	ZINC000940770077	893106856	/nfs/dbraw/zinc/10/68/56/893106856.db2.gz	HSTLBSQALJZUDO-FGTMMUONSA-N	1	0	354.454	1.124	20	30		FDEDRO
C[C@H](CNC(=O)Nc1nc(Cl)c(C#N)s1)C[NH+]1CCN(C)CC1	ZINC000888412881	893166416	/nfs/dbraw/zinc/16/64/16/893166416.db2.gz	XWFSWGXJWHEJBJ-SNVBAGLBSA-N	1	0	356.883	1.673	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1ccccc1	ZINC000940818627	893304747	/nfs/dbraw/zinc/30/47/47/893304747.db2.gz	KCDFKUSHHNAWHW-ZCNNSNEGSA-N	1	0	365.477	1.605	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C(C)(C)C1	ZINC000940842671	893331096	/nfs/dbraw/zinc/33/10/96/893331096.db2.gz	MCDQHRXZOPWEMM-MJBXVCDLSA-N	1	0	362.392	1.573	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2COc3ccccc3O2)C[C@H]1C	ZINC001106943766	893494455	/nfs/dbraw/zinc/49/44/55/893494455.db2.gz	BOFPCBRKWJEPQJ-GPMSIDNRSA-N	1	0	360.454	1.713	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1	ZINC000941200408	894096203	/nfs/dbraw/zinc/09/62/03/894096203.db2.gz	HAVPYFOXEYEJDY-AOIWGVFYSA-N	1	0	363.502	1.513	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1	ZINC000941200625	894100012	/nfs/dbraw/zinc/10/00/12/894100012.db2.gz	QSKZVRLTGHGUSR-LNLFQRSKSA-N	1	0	363.502	1.370	20	30		FDEDRO
N#Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](C[C@@H](O)c4ccccc4)C[C@H]32)c[nH]1	ZINC001084293553	913841194	/nfs/dbraw/zinc/84/11/94/913841194.db2.gz	LIUBBSCQZSQAJY-ATZDWAIDSA-N	1	0	350.422	1.766	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCN(C(=O)C2CC[NH+](C)CC2)CC1	ZINC000941211557	894259956	/nfs/dbraw/zinc/25/99/56/894259956.db2.gz	NISCAJREYWLUFM-MSOLQXFVSA-N	1	0	363.502	1.370	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+]2CCCC2)C3)cn1	ZINC001002826778	894340888	/nfs/dbraw/zinc/34/08/88/894340888.db2.gz	INQVPYJGGRTSCW-KURKYZTESA-N	1	0	352.438	1.020	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(OC)c2cccnc21	ZINC000922023558	894428064	/nfs/dbraw/zinc/42/80/64/894428064.db2.gz	VOTJSUSKTCJCRZ-UHFFFAOYSA-N	1	0	373.478	1.962	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(OC)cccc1OC	ZINC000922021635	894458679	/nfs/dbraw/zinc/45/86/79/894458679.db2.gz	ALJWSXSELGEAAL-UHFFFAOYSA-N	1	0	352.456	1.422	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C	ZINC000922024906	894520479	/nfs/dbraw/zinc/52/04/79/894520479.db2.gz	UGZWXUXZPOEKSR-UHFFFAOYSA-N	1	0	365.455	1.930	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(C)c(C)c2)C[C@H]1C	ZINC001106958202	895046871	/nfs/dbraw/zinc/04/68/71/895046871.db2.gz	UPNVCYDWBXLVDT-QWFCFKBJSA-N	1	0	369.509	1.668	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCN(C2C[NH+](CC[C@H](C)F)C2)CC1	ZINC000941600174	895355115	/nfs/dbraw/zinc/35/51/15/895355115.db2.gz	WWPCNGMJKAOCAJ-WDSOQIARSA-N	1	0	367.509	1.934	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)o1	ZINC001084324655	914012807	/nfs/dbraw/zinc/01/28/07/914012807.db2.gz	OZMWQGACLNRYOO-IAGOWNOFSA-N	1	0	351.410	1.525	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1	ZINC000942033699	896208714	/nfs/dbraw/zinc/20/87/14/896208714.db2.gz	LQGSPUWBYDPUEW-FJIDUMEYSA-N	1	0	363.502	1.369	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106966662	896413681	/nfs/dbraw/zinc/41/36/81/896413681.db2.gz	CWQGBCAQTYRKMA-HZPDHXFCSA-N	1	0	356.470	1.288	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)CC(C)(C)C)C[C@H]2OC)CC1	ZINC000942128796	896430978	/nfs/dbraw/zinc/43/09/78/896430978.db2.gz	RGRSUVKKTVMJAL-IAGOWNOFSA-N	1	0	363.502	1.110	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)n(C)c2C)C[C@H]1C	ZINC001106966542	896443290	/nfs/dbraw/zinc/44/32/90/896443290.db2.gz	YCRPROFHOMIEBN-FRFSOERESA-N	1	0	358.486	1.078	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@@H+](CC#CC)C2)nn1	ZINC000999986762	896519263	/nfs/dbraw/zinc/51/92/63/896519263.db2.gz	KHNJKACYFPYWPH-KSZLIROESA-N	1	0	357.458	1.146	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC000671109790	896766589	/nfs/dbraw/zinc/76/65/89/896766589.db2.gz	XKXGGFLNIUGDFW-RTBURBONSA-N	1	0	355.482	1.987	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C)cc2)C[C@H]1C	ZINC001106972884	897239668	/nfs/dbraw/zinc/23/96/68/897239668.db2.gz	PQCFGLNDKADGTL-IAGOWNOFSA-N	1	0	357.454	1.267	20	30		FDEDRO
CC(C)(C[NH2+]Cc1cc(C#N)ccc1Br)NS(C)(=O)=O	ZINC000921721743	897333689	/nfs/dbraw/zinc/33/36/89/897333689.db2.gz	MMGDGHIIYHDRAE-UHFFFAOYSA-N	1	0	360.277	1.738	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCOc2ccccc2)C[C@H]1C	ZINC001106979226	897382253	/nfs/dbraw/zinc/38/22/53/897382253.db2.gz	DYVJEWIATKKNGJ-KZNAEPCWSA-N	1	0	371.481	1.278	20	30		FDEDRO
C#CCC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)n1	ZINC001128133427	897437975	/nfs/dbraw/zinc/43/79/75/897437975.db2.gz	XYPKSYBAZKJGTE-MKXGPGLRSA-N	1	0	368.481	1.457	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc3cnccc32)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106983757	897512125	/nfs/dbraw/zinc/51/21/25/897512125.db2.gz	ILRAMIRQTOHYSJ-GDBMZVCRSA-N	1	0	365.437	1.172	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc3c([nH]c2=O)CCC3)C[C@H]1C	ZINC001106986068	897595575	/nfs/dbraw/zinc/59/55/75/897595575.db2.gz	DRJWMZMKBLHCJK-GDBMZVCRSA-N	1	0	357.454	1.223	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C)C[C@H]1O	ZINC001078026098	897633064	/nfs/dbraw/zinc/63/30/64/897633064.db2.gz	JATUWJXEAQNODL-RTBURBONSA-N	1	0	365.433	1.377	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+](CC2CCC(C)CC2)C[C@H]1O	ZINC001078027669	897654363	/nfs/dbraw/zinc/65/43/63/897654363.db2.gz	BQGZMDPMUARYAY-LRMJVLKBSA-N	1	0	371.481	1.695	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1	ZINC000995268230	897656472	/nfs/dbraw/zinc/65/64/72/897656472.db2.gz	RYZPQXNBMLNPEX-MISYRCLQSA-N	1	0	370.497	1.084	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCc3ccsc3)C[C@H]2O)cn1	ZINC001078032313	897675500	/nfs/dbraw/zinc/67/55/00/897675500.db2.gz	IBDVUJYDVXBZLH-QZTJIDSGSA-N	1	0	355.463	1.532	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCc4ccccc43)C[C@H]2O)cn1	ZINC001078033309	897683555	/nfs/dbraw/zinc/68/35/55/897683555.db2.gz	CESGPKNJPPEOGK-NJDAHSKKSA-N	1	0	361.445	1.915	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C1(C[NH+](C)C)CC1	ZINC001078074632	897844335	/nfs/dbraw/zinc/84/43/35/897844335.db2.gz	KGZOAAIOEQQEQY-XHSDSOJGSA-N	1	0	351.491	1.320	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C[C@@H](C)N1CC#N	ZINC000921775838	897926550	/nfs/dbraw/zinc/92/65/50/897926550.db2.gz	KFWFKKZOALBTNP-IAGOWNOFSA-N	1	0	370.501	1.926	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C)[N@H+](CC)C[C@H]2C)c1	ZINC000765925707	898002084	/nfs/dbraw/zinc/00/20/84/898002084.db2.gz	PMYUCVDGFPMXSV-LSDHHAIUSA-N	1	0	363.483	1.153	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](N(CC)C(=O)[C@@H]3C[C@H]3CC)C2)CC1	ZINC000942984236	898240364	/nfs/dbraw/zinc/24/03/64/898240364.db2.gz	FXXREWXGBQJLTD-BHIYHBOVSA-N	1	0	359.514	1.827	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](OC)C1	ZINC000943068835	898320838	/nfs/dbraw/zinc/32/08/38/898320838.db2.gz	JECLEITWRMXOJO-HZPDHXFCSA-N	1	0	356.426	1.502	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC000943284777	898615409	/nfs/dbraw/zinc/61/54/09/898615409.db2.gz	HANMZAFELVGRHS-ATZDWAIDSA-N	1	0	368.481	1.514	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@H]2CN(C(=O)[C@]34C[C@H]3COC4)CCCO2)s1	ZINC001078403938	898740661	/nfs/dbraw/zinc/74/06/61/898740661.db2.gz	MXBVRUBSNPVZRG-DEYYWGMASA-N	1	0	361.467	1.363	20	30		FDEDRO
N#Cc1ccccc1C[NH2+]C[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)CCCO1	ZINC001078403881	898740973	/nfs/dbraw/zinc/74/09/73/898740973.db2.gz	LHGQHWGRQOXAQH-NSHGMRRFSA-N	1	0	355.438	1.302	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1	ZINC000943383104	898768329	/nfs/dbraw/zinc/76/83/29/898768329.db2.gz	AXAOHWWDFWDHBW-ZACQAIPSSA-N	1	0	361.486	1.171	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(F)cn2)C1	ZINC001078472273	898801614	/nfs/dbraw/zinc/80/16/14/898801614.db2.gz	SKHROBIJRNGJMM-KURKYZTESA-N	1	0	363.433	1.519	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2conc2CC)C1	ZINC001078472455	898803594	/nfs/dbraw/zinc/80/35/94/898803594.db2.gz	XTBSXZPFMJTKLV-NUJGCVRESA-N	1	0	363.458	1.535	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)C[N@H+](C)CC(C)(C)C	ZINC001078481629	898826267	/nfs/dbraw/zinc/82/62/67/898826267.db2.gz	ZOYIEONGJZLDGF-BQFCYCMXSA-N	1	0	367.534	1.957	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC000943403528	898835885	/nfs/dbraw/zinc/83/58/85/898835885.db2.gz	LDDCTNZMZATBBQ-AYOQOUSVSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CNC(=O)CC(C)(C)C)C[C@H]1C	ZINC001107000121	898934950	/nfs/dbraw/zinc/93/49/50/898934950.db2.gz	GCBHDAJKPNWTHR-HZPDHXFCSA-N	1	0	353.507	1.426	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CNC(=O)[C@H]4C[C@@H]4C)CCC[C@@H]23)CC1	ZINC000995375511	899163279	/nfs/dbraw/zinc/16/32/79/899163279.db2.gz	XACLGJPNEZPYLR-FAGZOMQFSA-N	1	0	371.525	1.875	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(C(=O)C#CC(C)C)CC3)CC[N@@H+]1C	ZINC001061022154	899285514	/nfs/dbraw/zinc/28/55/14/899285514.db2.gz	FSQFYZFCKTYVNN-ZWKOTPCHSA-N	1	0	359.514	1.827	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1	ZINC000943733734	899285774	/nfs/dbraw/zinc/28/57/74/899285774.db2.gz	VNPBYIHIMUMTGH-ZKXLYKBJSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)Cc2nc(C3CC3)nn2C)C[C@H]1C	ZINC001107008628	899452001	/nfs/dbraw/zinc/45/20/01/899452001.db2.gz	SCPVLWZXAYTPCJ-BXUZGUMPSA-N	1	0	351.882	1.672	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(=O)[nH]c2C)C[C@H]1C	ZINC001107011519	899531699	/nfs/dbraw/zinc/53/16/99/899531699.db2.gz	FGIWWKUAQBXLJB-UKRRQHHQSA-N	1	0	360.458	1.004	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C	ZINC001107017399	899554953	/nfs/dbraw/zinc/55/49/53/899554953.db2.gz	USNVTZMEGIOEGT-QWFCFKBJSA-N	1	0	365.477	1.250	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C=C)c2ccccc2)C[C@H]1C	ZINC001107017791	899556430	/nfs/dbraw/zinc/55/64/30/899556430.db2.gz	DGOARDNBYINOSU-BHIYHBOVSA-N	1	0	355.482	1.943	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2ccc(C)o2)C[C@H]1C	ZINC001107029437	899641893	/nfs/dbraw/zinc/64/18/93/899641893.db2.gz	UZVCTQIRSNBYTH-HYVNUMGLSA-N	1	0	361.486	1.895	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)NC(=O)NCCC)C[C@H]1C	ZINC001107030449	899644473	/nfs/dbraw/zinc/64/44/73/899644473.db2.gz	GEKYKLSGKIOMCR-HZPDHXFCSA-N	1	0	368.522	1.361	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1	ZINC000944050121	899756313	/nfs/dbraw/zinc/75/63/13/899756313.db2.gz	VYIKHTUXBNOTMN-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2	ZINC000944149851	899900719	/nfs/dbraw/zinc/90/07/19/899900719.db2.gz	LQXUTFQHPLDXFM-ZACQAIPSSA-N	1	0	361.486	1.171	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCO[C@H]3c3nccn3C)[C@@H]2C1	ZINC001084420103	914396205	/nfs/dbraw/zinc/39/62/05/914396205.db2.gz	QTQYFJAEAIUFKP-BRSBDYLESA-N	1	0	356.470	1.444	20	30		FDEDRO
CCc1noc2ncc(C(=O)N3C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C3)cc12	ZINC001107039279	900073669	/nfs/dbraw/zinc/07/36/69/900073669.db2.gz	OWJVSIRMSIJLKR-GDBMZVCRSA-N	1	0	370.453	1.733	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2	ZINC000944307538	900123134	/nfs/dbraw/zinc/12/31/34/900123134.db2.gz	ZAOSFQULPFVBEO-ZACQAIPSSA-N	1	0	361.486	1.313	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]Cc2nnc(C(C)C)o2)[C@H](C)C1	ZINC001107058813	900291059	/nfs/dbraw/zinc/29/10/59/900291059.db2.gz	BHKIUOGOPMXRGB-HUUCEWRRSA-N	1	0	350.463	1.970	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCC[C@@H]2C)[C@H](C)C1	ZINC001107058997	900307870	/nfs/dbraw/zinc/30/78/70/900307870.db2.gz	MDXAKAPATMLLLC-FGTMMUONSA-N	1	0	365.518	1.664	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+][C@H]3CCCNC3=O)[C@H](C)C2)CCCCC1	ZINC001107059235	900314492	/nfs/dbraw/zinc/31/44/92/900314492.db2.gz	ZFNJCZNDNLFJMA-KURKYZTESA-N	1	0	359.514	1.923	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000944616811	900370669	/nfs/dbraw/zinc/37/06/69/900370669.db2.gz	RNYUAYCBZAMRLA-OWCLPIDISA-N	1	0	351.491	1.273	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CCCc2nc(C)no2)[C@H](C)C1	ZINC001107063105	900448206	/nfs/dbraw/zinc/44/82/06/900448206.db2.gz	BREBOSCESXLJFJ-IJEWVQPXSA-N	1	0	350.463	1.586	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]Cc2ccc3nonc3c2)[C@H](C)C1	ZINC001107063261	900449478	/nfs/dbraw/zinc/44/94/78/900449478.db2.gz	IDZRGAPZOOEMCO-GDBMZVCRSA-N	1	0	358.442	2.000	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)C2CC2)[C@H](C)C1	ZINC001107065377	900454986	/nfs/dbraw/zinc/45/49/86/900454986.db2.gz	LQRCGTIQYPDGTG-BZUAXINKSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CCn2c(C)csc2=O)[C@H](C)C1	ZINC001107065362	900455099	/nfs/dbraw/zinc/45/50/99/900455099.db2.gz	KSXJMOQYCMMFIU-GDBMZVCRSA-N	1	0	367.515	1.495	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000763899232	900526951	/nfs/dbraw/zinc/52/69/51/900526951.db2.gz	PPQCSRWLRYGLCX-UHFFFAOYSA-N	1	0	351.472	1.918	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCOC(C)C)C[C@H]1C	ZINC001107081028	900607488	/nfs/dbraw/zinc/60/74/88/900607488.db2.gz	IRRXEFICDZADLC-BRWVUGGUSA-N	1	0	351.491	1.014	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC(F)(F)C(F)(F)F)C[C@H]1C	ZINC001107096949	900889562	/nfs/dbraw/zinc/88/95/62/900889562.db2.gz	HILQTHUNXCRONG-GHMZBOCLSA-N	1	0	371.350	1.560	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C2CCOCC2)C[C@H]1C	ZINC001107098893	900962091	/nfs/dbraw/zinc/96/20/91/900962091.db2.gz	MGNUOYRKBMVNKI-BFYDXBDKSA-N	1	0	351.491	1.035	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C)CC2	ZINC000944884241	901006035	/nfs/dbraw/zinc/00/60/35/901006035.db2.gz	LUOZXCSENMMDQF-ZACQAIPSSA-N	1	0	361.486	1.123	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(c3ccc(C#N)cn3)CCO2)CC[N@@H+]1C	ZINC001063670383	901090321	/nfs/dbraw/zinc/09/03/21/901090321.db2.gz	IRVPUXBXRYXDMG-YESZJQIVSA-N	1	0	357.458	1.005	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1(CNC(=O)CCC[NH+](C)C)CCC1	ZINC001064262197	901270247	/nfs/dbraw/zinc/27/02/47/901270247.db2.gz	KVIYJPNWOKCVOZ-CVEARBPZSA-N	1	0	351.491	1.465	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(CC)c(CC)c2)C[C@H]1C	ZINC001107106158	901288798	/nfs/dbraw/zinc/28/87/98/901288798.db2.gz	XMQKUBZJKIMBOB-OXQOHEQNSA-N	1	0	369.509	1.859	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(C2CC[NH+](CCc3ccccc3)CC2)C1=O	ZINC000348427899	901312306	/nfs/dbraw/zinc/31/23/06/901312306.db2.gz	ABEMBAHSCYPWRE-SFHVURJKSA-N	1	0	357.454	1.817	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCCN(c2ccnc(C#N)n2)C3)CC[N@@H+]1C	ZINC001064570890	901389072	/nfs/dbraw/zinc/38/90/72/901389072.db2.gz	QTHGZTYJCAAEAF-QINHECLXSA-N	1	0	368.485	1.507	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNC(=O)C[N@@H+](C)CC(C)(C)C)CCC1	ZINC001064555135	901406776	/nfs/dbraw/zinc/40/67/76/901406776.db2.gz	AQYCTQAZMOHQGE-CVEARBPZSA-N	1	0	365.518	1.711	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@]3(CCN(c4cncc(C#N)n4)C3)C2)CC[N@@H+]1C	ZINC001064649743	901518447	/nfs/dbraw/zinc/51/84/47/901518447.db2.gz	IBWXGPLWEBRGPM-OGWOLHLISA-N	1	0	354.458	1.117	20	30		FDEDRO
CC(C)(C)c1ocnc1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O	ZINC001083930444	901832011	/nfs/dbraw/zinc/83/20/11/901832011.db2.gz	DRWCRIHNCCYAIS-CVEARBPZSA-N	1	0	368.437	1.819	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2ncccc2C#N)O1	ZINC001065170982	901883937	/nfs/dbraw/zinc/88/39/37/901883937.db2.gz	MKGZLDFYPVSUOO-NRSFXHEJSA-N	1	0	369.469	1.242	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2cncc(C#N)n2)CC[N@@H+]1C	ZINC001065170966	901883988	/nfs/dbraw/zinc/88/39/88/901883988.db2.gz	LXPGVNBKDUHHPF-MXASKKJJSA-N	1	0	354.458	1.258	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2ccc(C#N)nn2)CC[N@@H+]1C	ZINC001065171272	901884010	/nfs/dbraw/zinc/88/40/10/901884010.db2.gz	RVLWXJISPMSAJJ-VSZNYVQBSA-N	1	0	368.485	1.648	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnn(CC)c2)C1	ZINC001079129843	901937249	/nfs/dbraw/zinc/93/72/49/901937249.db2.gz	KDEKENRNJSSAOA-WOJBJXKFSA-N	1	0	366.465	1.614	20	30		FDEDRO
CC#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccc(=O)[nH]c2)C1	ZINC001079146838	901968270	/nfs/dbraw/zinc/96/82/70/901968270.db2.gz	JZHJFQFLDPIAPR-RTBURBONSA-N	1	0	365.433	1.498	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2COC(=O)C2)CC[C@H]1c1ccc(F)cc1	ZINC001079150153	901981472	/nfs/dbraw/zinc/98/14/72/901981472.db2.gz	DGCWUGONHCPAGU-FHLIZLRMSA-N	1	0	358.413	1.686	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2OCC[C@H]2CC)C1	ZINC001079136895	902008473	/nfs/dbraw/zinc/00/84/73/902008473.db2.gz	IYKJNEDCPYSAEC-NCYKPQTJSA-N	1	0	370.493	1.899	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnc[nH]c2=O)C1	ZINC001079138139	902018169	/nfs/dbraw/zinc/01/81/69/902018169.db2.gz	QAZOQNFGNCATGK-QZTJIDSGSA-N	1	0	368.437	1.446	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccoc2C)C3)CC1	ZINC000995713721	902033067	/nfs/dbraw/zinc/03/30/67/902033067.db2.gz	PRWHFVHUQFJRRF-NEWSRXKRSA-N	1	0	369.465	1.795	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCNC2=O)CC[C@H]1c1ccc(F)cc1	ZINC001079156818	902074763	/nfs/dbraw/zinc/07/47/63/902074763.db2.gz	JTMRDWOICCTOOZ-OKZBNKHCSA-N	1	0	359.445	1.812	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCN(C(C)=O)C2)C[C@H]1c1cccc(F)c1	ZINC001079208209	902115749	/nfs/dbraw/zinc/11/57/49/902115749.db2.gz	NZVMGHKZIXAUEK-YTQUADARSA-N	1	0	357.429	1.211	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)C[C@H]1c1cccc(F)c1	ZINC001079189642	902141373	/nfs/dbraw/zinc/14/13/73/902141373.db2.gz	UVSOEVUVBQGEJW-BPQIPLTHSA-N	1	0	357.429	1.211	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cnccc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079231536	902165213	/nfs/dbraw/zinc/16/52/13/902165213.db2.gz	OZYXYZIFYMPKLY-RBUKOAKNSA-N	1	0	353.466	1.966	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3nccc(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079239412	902185592	/nfs/dbraw/zinc/18/55/92/902185592.db2.gz	RRLXQJBJHIGCFT-DLBZAZTESA-N	1	0	356.470	1.914	20	30		FDEDRO
COCC(=O)N1CC2(CC[NH+](Cc3cccc(C#N)c3)CC2)[C@H]2COC[C@H]21	ZINC001079212206	902197951	/nfs/dbraw/zinc/19/79/51/902197951.db2.gz	OJMNKXRTIYZNEN-RBUKOAKNSA-N	1	0	369.465	1.644	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cnn(C)c3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079221149	902220613	/nfs/dbraw/zinc/22/06/13/902220613.db2.gz	PHSQHYNTZTUDBI-ZWKOTPCHSA-N	1	0	356.470	1.305	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)Cc3cnn(C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079227064	902238044	/nfs/dbraw/zinc/23/80/44/902238044.db2.gz	AHYUTDJDNDZUTE-ZWKOTPCHSA-N	1	0	358.486	1.478	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC2(CC[NH+](Cc3ccnn3C)CC2)[C@H]2COC[C@H]21	ZINC001079228336	902242106	/nfs/dbraw/zinc/24/21/06/902242106.db2.gz	HJCMVTXMHDHMCY-BHYGNILZSA-N	1	0	357.458	1.019	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)CCc3ccncn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079245092	902253553	/nfs/dbraw/zinc/25/35/53/902253553.db2.gz	WRHCZLKTJSGSDR-RBUKOAKNSA-N	1	0	370.497	1.925	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCCNC3=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079246203	902256860	/nfs/dbraw/zinc/25/68/60/902256860.db2.gz	VYFACXOKRBNHMN-YESZJQIVSA-N	1	0	361.486	1.028	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cnc4n3CCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079246072	902257418	/nfs/dbraw/zinc/25/74/18/902257418.db2.gz	QGCBVWNXJJWBLQ-DOTOQJQBSA-N	1	0	354.454	1.016	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCn4ccnc4C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079248115	902263053	/nfs/dbraw/zinc/26/30/53/902263053.db2.gz	ISZUFXCEHLCBRF-FGTMMUONSA-N	1	0	368.481	1.018	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)Cc3ccc(=O)[nH]c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079252693	902274695	/nfs/dbraw/zinc/27/46/95/902274695.db2.gz	OHNNJFNXKPVEJU-ZWKOTPCHSA-N	1	0	369.465	1.292	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc(CC)[nH]c(=O)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079252479	902274729	/nfs/dbraw/zinc/27/47/29/902274729.db2.gz	KVXFSXHIHLTYJM-ZWKOTPCHSA-N	1	0	369.465	1.536	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ncc(C)cc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079252737	902275824	/nfs/dbraw/zinc/27/58/24/902275824.db2.gz	QINPYEBWJACCMW-ZWKOTPCHSA-N	1	0	353.466	1.885	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)CCc3ccccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079253871	902276790	/nfs/dbraw/zinc/27/67/90/902276790.db2.gz	GSHHJBBOCBXVCJ-VQTJNVASSA-N	1	0	367.493	1.977	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCNC3=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079254789	902282922	/nfs/dbraw/zinc/28/29/22/902282922.db2.gz	VSOGXPLACUFXSD-IXDOHACOSA-N	1	0	361.486	1.028	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CN(C(=O)c3n[nH]nc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079254745	902282970	/nfs/dbraw/zinc/28/29/70/902282970.db2.gz	SJFWFVCXDZCKJA-JKSUJKDBSA-N	1	0	359.474	1.632	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3cnc(C)n3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079258116	902290543	/nfs/dbraw/zinc/29/05/43/902290543.db2.gz	NTGYFZMBFWFLSP-FUHWJXTLSA-N	1	0	358.486	1.858	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)C[C@@H](C)n3cccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269074	902322451	/nfs/dbraw/zinc/32/24/51/902322451.db2.gz	DXWFMZQDPPSJRU-CEXWTWQISA-N	1	0	370.497	1.797	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cncc3C2)C[C@H]1c1ccccc1F	ZINC001079299284	902342155	/nfs/dbraw/zinc/34/21/55/902342155.db2.gz	HWRASXQUGSBLDX-MOXGXCLJSA-N	1	0	366.440	1.802	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(C)c(C)cc2=O)C[C@H]1c1ccccc1F	ZINC001079299686	902344811	/nfs/dbraw/zinc/34/48/11/902344811.db2.gz	ZWLCCCMOGOEOQD-QFBILLFUSA-N	1	0	367.424	1.664	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCNC(=O)C2)C[C@H]1c1ccccc1F	ZINC001079300619	902346731	/nfs/dbraw/zinc/34/67/31/902346731.db2.gz	QJHZTGPNYCLYKX-VPWXQRGCSA-N	1	0	357.429	1.259	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN(C(C)=O)C2)C[C@H]1c1ccccc1F	ZINC001079301512	902349209	/nfs/dbraw/zinc/34/92/09/902349209.db2.gz	ATRVEOWBDXOHHO-XKGZKEIXSA-N	1	0	371.456	1.601	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(C)ccc2=O)C[C@H]1c1ccccc1F	ZINC001079302625	902352067	/nfs/dbraw/zinc/35/20/67/902352067.db2.gz	APAUNEVNHYOPKZ-MAUKXSAKSA-N	1	0	353.397	1.355	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cnn(C)c2)C[C@H]1c1ccccc1F	ZINC001079323484	902427594	/nfs/dbraw/zinc/42/75/94/902427594.db2.gz	RITPYLWFXQVOSY-DKSSEZFCSA-N	1	0	354.429	1.880	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C[C@H]1c1ccccc1F	ZINC001079306424	902437508	/nfs/dbraw/zinc/43/75/08/902437508.db2.gz	QNGRWBDBERUQJT-UAGQMJEPSA-N	1	0	360.433	1.309	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(C)nc[nH]c2=O)C[C@H]1c1ccccc1F	ZINC001079307533	902440432	/nfs/dbraw/zinc/44/04/32/902440432.db2.gz	QDDCWGZAKVNFDA-GOEBONIOSA-N	1	0	354.385	1.461	20	30		FDEDRO
C[NH+](C)[C@@H](C(=O)N1C[C@H]2CCN(Cc3ccccc3C#N)C[C@H]21)C1CC1	ZINC001084406771	914630000	/nfs/dbraw/zinc/63/00/00/914630000.db2.gz	YMTJBWBNRAZBMJ-VAMGGRTRSA-N	1	0	352.482	1.931	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21	ZINC001084409497	914640603	/nfs/dbraw/zinc/64/06/03/914640603.db2.gz	ZDUCGLVQOLBPPZ-JFIYKMOQSA-N	1	0	366.469	1.599	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@H]1CCCOC1	ZINC001079480595	902623639	/nfs/dbraw/zinc/62/36/39/902623639.db2.gz	ZPUTVWSQNKSENG-HHXXYDBFSA-N	1	0	357.454	1.952	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)c1	ZINC001079494457	902709534	/nfs/dbraw/zinc/70/95/34/902709534.db2.gz	DNJHLXQNHULSLN-LZQZEXGQSA-N	1	0	368.481	1.137	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C3)cc1	ZINC000995933835	902740711	/nfs/dbraw/zinc/74/07/11/902740711.db2.gz	YYVFJALJUFAOFJ-YDZRNGNQSA-N	1	0	351.450	1.624	20	30		FDEDRO
C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C#N)c[nH]1)C2)C1CCC1	ZINC000996011365	902894464	/nfs/dbraw/zinc/89/44/64/902894464.db2.gz	XXLOUIKSZSHCII-VYDXJSESSA-N	1	0	355.442	1.232	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(C#N)[nH]2)C3)C1	ZINC000996099059	903079754	/nfs/dbraw/zinc/07/97/54/903079754.db2.gz	VBQOIFFUPZEACI-IRWJRLHMSA-N	1	0	355.442	1.090	20	30		FDEDRO
CCCCCCCN1CC(n2cc(CNC(=O)[C@]34C[C@H]3COC4)nn2)C1	ZINC001107172806	903546253	/nfs/dbraw/zinc/54/62/53/903546253.db2.gz	MNLLMVZRENPPJJ-KXBFYZLASA-N	1	0	361.490	1.758	20	30		FDEDRO
C=CCC[C@@H](C)[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)nn2)C1	ZINC001107180131	903631516	/nfs/dbraw/zinc/63/15/16/903631516.db2.gz	BXPDOBWJMCFKTR-KBRIMQKVSA-N	1	0	369.473	1.633	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1(C)C	ZINC000996303311	903645239	/nfs/dbraw/zinc/64/52/39/903645239.db2.gz	DYONZEYGONFYBJ-HLLBOEOZSA-N	1	0	370.453	1.015	20	30		FDEDRO
CN1CC[C@@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)CC1=O	ZINC001084461220	914736133	/nfs/dbraw/zinc/73/61/33/914736133.db2.gz	XQZKCEYQHGGKEW-GUDVDZBRSA-N	1	0	366.465	1.459	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000764146980	903753151	/nfs/dbraw/zinc/75/31/51/903753151.db2.gz	PXWQBVJEAUYPHH-UHFFFAOYSA-N	1	0	355.398	1.573	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1cccc(C(N)=O)c1	ZINC001079976205	903868691	/nfs/dbraw/zinc/86/86/91/903868691.db2.gz	ZLYUHGORMWUQLL-AUUYWEPGSA-N	1	0	362.433	1.907	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1C	ZINC001079977709	903874622	/nfs/dbraw/zinc/87/46/22/903874622.db2.gz	GHYBMNQXTLRIJZ-SJLPKXTDSA-N	1	0	371.481	1.924	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2C)cc1	ZINC001079977683	903875037	/nfs/dbraw/zinc/87/50/37/903875037.db2.gz	FGSSVKJDZIWSGU-CRAIPNDOSA-N	1	0	355.442	1.593	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3CCC(=O)NC3)C2)cc1C#N	ZINC001080019994	903906844	/nfs/dbraw/zinc/90/68/44/903906844.db2.gz	CYWBAEZGDKSIOK-UKPHBRMFSA-N	1	0	370.453	1.030	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1ccc(=O)n(C)c1	ZINC001080030131	903921299	/nfs/dbraw/zinc/92/12/99/903921299.db2.gz	BAIRAPUAOJHBFU-RDTXWAMCSA-N	1	0	350.422	1.507	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]Cc2nnc(C)s2)CC1	ZINC000996602073	904322398	/nfs/dbraw/zinc/32/23/98/904322398.db2.gz	WWBSQNRNYFDAHV-CABCVRRESA-N	1	0	350.488	1.908	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cn[nH]c3)CCC[C@@H]12	ZINC001107293891	904378504	/nfs/dbraw/zinc/37/85/04/904378504.db2.gz	NTQNWOHNQXUUML-YLJYHZDGSA-N	1	0	371.485	1.585	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)OC)CCC[C@@H]12	ZINC001107305060	904393265	/nfs/dbraw/zinc/39/32/65/904393265.db2.gz	CVHHZDNXLZOUSK-GPMSIDNRSA-N	1	0	364.490	1.144	20	30		FDEDRO
C=CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCNC(C)=O)CC2	ZINC001107326811	904481873	/nfs/dbraw/zinc/48/18/73/904481873.db2.gz	HYIXESUGJHNBQW-IEBWSBKVSA-N	1	0	351.491	1.466	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cscc3C)CCC[C@@H]12	ZINC001107349461	904551325	/nfs/dbraw/zinc/55/13/25/904551325.db2.gz	BVLAABKKCOMXCH-VQIMIIECSA-N	1	0	359.495	1.780	20	30		FDEDRO
CC(C)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C#N)[nH]3)CCC[C@@H]12	ZINC001107363507	904561788	/nfs/dbraw/zinc/56/17/88/904561788.db2.gz	DHNYEIZTLMTRGI-VQIMIIECSA-N	1	0	357.458	1.385	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccncc3C)CCC[C@@H]12	ZINC001107389643	904638469	/nfs/dbraw/zinc/63/84/69/904638469.db2.gz	BWNUBFOCDDCYIH-YLJYHZDGSA-N	1	0	354.454	1.114	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)/C=C/c3ccc[nH]3)CCC[C@@H]12	ZINC001107381313	904650383	/nfs/dbraw/zinc/65/03/83/904650383.db2.gz	ILMKGZWDLKFZJI-FOSBAXRVSA-N	1	0	355.442	1.028	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3CCC(O)CC3)CCC[C@@H]12	ZINC001107385238	904664195	/nfs/dbraw/zinc/66/41/95/904664195.db2.gz	ZPQJOSHHKAUCQJ-AEBIURJHSA-N	1	0	363.502	1.201	20	30		FDEDRO
CO[C@@H]1CN([C@H](C)c2cnc(C)cn2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC001081507013	904718348	/nfs/dbraw/zinc/71/83/48/904718348.db2.gz	ACJHYPZTFLOICK-CSMYWGQOSA-N	1	0	354.414	1.175	20	30		FDEDRO
CO[C@H](C[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](OC)C1)c1ccccc1	ZINC001081507405	904719000	/nfs/dbraw/zinc/71/90/00/904719000.db2.gz	UIUFWASDJXPWTP-GUDVDZBRSA-N	1	0	368.437	1.703	20	30		FDEDRO
C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nccnc1C)CC2	ZINC001107401762	904782632	/nfs/dbraw/zinc/78/26/32/904782632.db2.gz	BOBQHJAWYSPGKL-YVWKXTFCSA-N	1	0	356.470	1.684	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C)nnc3C)CCC[C@@H]12	ZINC001107419319	904799860	/nfs/dbraw/zinc/79/98/60/904799860.db2.gz	QOZWYFNKJJNYQI-UYAOXDASSA-N	1	0	356.470	1.718	20	30		FDEDRO
O=C(N[C@]12CCC[C@H]1C[N@@H+](CC#Cc1ccc(F)cc1)C2)[C@@H]1COC(=O)N1	ZINC001098820015	904829082	/nfs/dbraw/zinc/82/90/82/904829082.db2.gz	SJKGFHDZZNRAMX-KNBMTAEXSA-N	1	0	371.412	1.256	20	30		FDEDRO
O=C(NCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1N=CC=CC1=O	ZINC000764503853	904837779	/nfs/dbraw/zinc/83/77/79/904837779.db2.gz	DLRQRBPYZLUNSO-QFPXGYFVSA-N	1	0	360.458	1.426	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC(=O)N(CC)C3)CCC[C@@H]12	ZINC001107426058	904843838	/nfs/dbraw/zinc/84/38/38/904843838.db2.gz	ZZRISKXETOVVKW-MBOZVWFJSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CN3CCCS3(=O)=O)CCC[C@@H]12	ZINC001107428967	904864596	/nfs/dbraw/zinc/86/45/96/904864596.db2.gz	OHBKLXSXJCIVNB-SJLPKXTDSA-N	1	0	369.531	1.349	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc4occc4[nH]3)CCC[C@@H]12	ZINC001107424212	904877761	/nfs/dbraw/zinc/87/77/61/904877761.db2.gz	BPGMPGMKSFKFGM-VQIMIIECSA-N	1	0	369.425	1.375	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1OC	ZINC001081693970	904880396	/nfs/dbraw/zinc/88/03/96/904880396.db2.gz	AMHYQEJMUQPVKC-YSTOQKLRSA-N	1	0	374.481	1.476	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)[C@H](OC)C1	ZINC001081722163	904956682	/nfs/dbraw/zinc/95/66/82/904956682.db2.gz	HOCYNJFQSHXWTA-KZNAEPCWSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)Cc3ccc(C(N)=O)nc3)CCC[C@@H]12	ZINC001107449833	904972883	/nfs/dbraw/zinc/97/28/83/904972883.db2.gz	ZJOAPSPTIGZEML-YLJYHZDGSA-N	1	0	354.454	1.107	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH]nc3CC)CCC[C@@H]12	ZINC001107458685	904978203	/nfs/dbraw/zinc/97/82/03/904978203.db2.gz	GSZQQCPXPMCYCQ-VQIMIIECSA-N	1	0	359.474	1.249	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C)cc(C)n3)CCC[C@@H]12	ZINC001107457829	905029003	/nfs/dbraw/zinc/02/90/03/905029003.db2.gz	RIBVNAPCDLYXTM-WIYYLYMNSA-N	1	0	370.497	1.975	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CCS(=O)(=O)C3)CCC[C@@H]12	ZINC001107465240	905034953	/nfs/dbraw/zinc/03/49/53/905034953.db2.gz	RNBWDPAJSQXCDT-LZLYRXPVSA-N	1	0	354.516	1.748	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(C(CC)CC)C2)[C@H](OC)C1	ZINC001081761556	905042619	/nfs/dbraw/zinc/04/26/19/905042619.db2.gz	GJPVNYIUQWHHAO-KBAYOESNSA-N	1	0	365.518	1.805	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3ccc(C)cc3)CCC[C@@H]12	ZINC001107466499	905043222	/nfs/dbraw/zinc/04/32/22/905043222.db2.gz	OPQPQFSVEAVLJJ-DENIHFKCSA-N	1	0	367.493	1.648	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)CC(=O)NC(C)C)CCC[C@@H]12	ZINC001107464039	905071612	/nfs/dbraw/zinc/07/16/12/905071612.db2.gz	LMDTTZGAXZPRSK-YLJYHZDGSA-N	1	0	364.534	1.380	20	30		FDEDRO
CC(C)N1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)C1	ZINC001080324937	905154333	/nfs/dbraw/zinc/15/43/33/905154333.db2.gz	KCXFMSXPAYYVTE-AHRSYUTCSA-N	1	0	370.497	1.604	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CCCS3(=O)=O)CCC[C@@H]12	ZINC001107488485	905210009	/nfs/dbraw/zinc/21/00/09/905210009.db2.gz	KEZZNJCLOJYMDT-JFIYKMOQSA-N	1	0	354.516	1.891	20	30		FDEDRO
C[C@@H](CC(N)=O)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccc(C#N)c1)CC2	ZINC001107499400	905231778	/nfs/dbraw/zinc/23/17/78/905231778.db2.gz	HBUIEXWTFAVXKG-RRMPHLOHSA-N	1	0	368.481	1.931	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cn(-c3ccccc3)nn2)[C@H](OC)C1	ZINC001081889713	905325717	/nfs/dbraw/zinc/32/57/17/905325717.db2.gz	KOPUCZRMAKHIMP-SJLPKXTDSA-N	1	0	355.442	1.663	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CCCS(N)(=O)=O)CCC[C@@H]12	ZINC001107526335	905372868	/nfs/dbraw/zinc/37/28/68/905372868.db2.gz	ZPDSEQMPNJOQFC-NVXWUHKLSA-N	1	0	357.520	1.382	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](OC)C(C)C)CCC[C@@H]12	ZINC001107532427	905398436	/nfs/dbraw/zinc/39/84/36/905398436.db2.gz	USDSIFBKLCPPSU-HHXXYDBFSA-N	1	0	351.491	1.320	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)C1	ZINC001080458351	905455305	/nfs/dbraw/zinc/45/53/05/905455305.db2.gz	UQICKFSSMZOLER-NKGKWGDASA-N	1	0	354.454	1.396	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)Oc3cccnc3)CCC[C@@H]12	ZINC001107542009	905459206	/nfs/dbraw/zinc/45/92/06/905459206.db2.gz	UJSYSWOJBKQMNL-FBBABVLZSA-N	1	0	371.481	1.860	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2CCN(C(=O)C(C)C)CC2)[C@H](OC)C1	ZINC001082009442	905540584	/nfs/dbraw/zinc/54/05/84/905540584.db2.gz	BYEBYDTWQVVVBY-IAGOWNOFSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@]34CCC[C@H]3OCC4)CC2)C1=O	ZINC000996799676	905547538	/nfs/dbraw/zinc/54/75/38/905547538.db2.gz	NHNHKJHRQXVMAG-HLIPFELVSA-N	1	0	361.486	1.313	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)C(C)(F)F)CCC[C@@H]12	ZINC001107552718	905560853	/nfs/dbraw/zinc/56/08/53/905560853.db2.gz	SWLCNSKNWNORRB-PMUMKWKESA-N	1	0	355.429	1.388	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C)[nH]c3C)CCC[C@@H]12	ZINC001107560639	905631084	/nfs/dbraw/zinc/63/10/84/905631084.db2.gz	UCUGPYAPQDXCIC-YLJYHZDGSA-N	1	0	356.470	1.355	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@]3(CNC(=O)Cc4c[nH]cn4)CCC[C@@H]23)C1=O	ZINC001107562235	905639497	/nfs/dbraw/zinc/63/94/97/905639497.db2.gz	ZZKFCWSFMNLEHW-SQGPQFPESA-N	1	0	371.485	1.100	20	30		FDEDRO
CN(C)C(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccc(C#N)cc1)CC2	ZINC001107571120	905649912	/nfs/dbraw/zinc/64/99/12/905649912.db2.gz	SGLQPKQIMODSQN-WIYYLYMNSA-N	1	0	368.481	1.897	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3cncc(OC)n3)CCC[C@@H]12	ZINC001107568367	905682317	/nfs/dbraw/zinc/68/23/17/905682317.db2.gz	ZEMCLEQANLTKJA-VQIMIIECSA-N	1	0	360.458	1.662	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](O)C3CCCCC3)C[C@H]2O)CC1	ZINC001077625244	905694813	/nfs/dbraw/zinc/69/48/13/905694813.db2.gz	XOYMLNFGZAIYOG-CEXWTWQISA-N	1	0	350.503	1.835	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCCOC)CC3)nn1	ZINC001107572717	905708162	/nfs/dbraw/zinc/70/81/62/905708162.db2.gz	ORTZXFWAZWQFAE-IEBWSBKVSA-N	1	0	361.490	1.865	20	30		FDEDRO
C=C(Br)CN1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1	ZINC001082092625	905744992	/nfs/dbraw/zinc/74/49/92/905744992.db2.gz	IQANDNYMWOUJHW-ZIAGYGMSSA-N	1	0	360.296	1.052	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](CC3CC(OCC)C3)C[C@H]2C)nn1	ZINC001080589650	905758173	/nfs/dbraw/zinc/75/81/73/905758173.db2.gz	FCCKQGALXXNWBA-RDHHWEPZSA-N	1	0	361.490	1.719	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@]3(CNC(=O)Cc4ccco4)CCC[C@@H]23)C1=O	ZINC001107586454	905836293	/nfs/dbraw/zinc/83/62/93/905836293.db2.gz	YMGUPSSSUOXHJW-DBXWQHBBSA-N	1	0	371.481	1.970	20	30		FDEDRO
Cc1c(C(=O)N[C@@H]2CN(Cc3ccc(OCC#N)cc3)C[C@H]2O)ccn1C	ZINC001077635594	905896651	/nfs/dbraw/zinc/89/66/51/905896651.db2.gz	HDGIENDQHYZUIW-RTBURBONSA-N	1	0	368.437	1.211	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)CCCn3cncn3)CCC[C@@H]12	ZINC001107599556	905903713	/nfs/dbraw/zinc/90/37/13/905903713.db2.gz	IYCBQDZLCBVVGH-IEBWSBKVSA-N	1	0	361.490	1.622	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C	ZINC001082133821	905934031	/nfs/dbraw/zinc/93/40/31/905934031.db2.gz	RFWZQRYJWIWAGF-KFKAGJAMSA-N	1	0	356.470	1.358	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)CNS(=O)(=O)CCCC)CCC[C@@H]12	ZINC001107620770	906058279	/nfs/dbraw/zinc/05/82/79/906058279.db2.gz	XZEYQSKUJBOIHL-SJLPKXTDSA-N	1	0	371.547	1.643	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2CC[C@@]3(CNC(=O)Cn4cncn4)CCC[C@@H]23)c1	ZINC001107627311	906088792	/nfs/dbraw/zinc/08/87/92/906088792.db2.gz	PCQLZPKUEUTJJO-UYAOXDASSA-N	1	0	364.453	1.711	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCCc3ccc(C)cc3)C[C@H]2O)c1	ZINC001077648432	906213275	/nfs/dbraw/zinc/21/32/75/906213275.db2.gz	KDRPJVCLVSBAMX-NHCUHLMSSA-N	1	0	363.461	1.779	20	30		FDEDRO
C=CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(C)CC)CC2	ZINC001107650376	906222742	/nfs/dbraw/zinc/22/27/42/906222742.db2.gz	ARQMIQFSZTWGKF-GPMSIDNRSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC1CC1)CC2	ZINC001107650542	906224854	/nfs/dbraw/zinc/22/48/54/906224854.db2.gz	DORLAVWDUXIAJB-XAUMDUMWSA-N	1	0	363.502	1.465	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)C[C@H]2O)c1	ZINC001077650106	906238742	/nfs/dbraw/zinc/23/87/42/906238742.db2.gz	TUIUPKSFKWIVEK-WOJBJXKFSA-N	1	0	360.417	1.519	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1C	ZINC001080805139	906284094	/nfs/dbraw/zinc/28/40/94/906284094.db2.gz	CRLJEEXDKFZDLF-JFIYKMOQSA-N	1	0	357.454	1.570	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1CCCC(=O)N1C	ZINC001080869517	906521602	/nfs/dbraw/zinc/52/16/02/906521602.db2.gz	NNUBRBBSLSBEFK-ZTFGCOKTSA-N	1	0	354.454	1.506	20	30		FDEDRO
C#CC[NH2+][C@H]1CCN(c2cccc(CNC(=O)C[C@@H]3C[C@H]3C3CC3)n2)C1	ZINC001127839133	906585007	/nfs/dbraw/zinc/58/50/07/906585007.db2.gz	MGLDEYCGHQCHDA-WDSOQIARSA-N	1	0	352.482	1.936	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1cccc(N2CC[C@H]([NH2+]CC#CC)C2)n1	ZINC001127845964	906721521	/nfs/dbraw/zinc/72/15/21/906721521.db2.gz	NGKXSWGWBCOECT-OTWHNJEPSA-N	1	0	368.481	1.481	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@@H]1C[N@@H+](CC[C@@H](C)F)C[C@H]1OC	ZINC001082318093	906764692	/nfs/dbraw/zinc/76/46/92/906764692.db2.gz	XSDDOUWDLPVLKI-IIAWOOMASA-N	1	0	351.422	1.824	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1OC	ZINC001082331775	906809166	/nfs/dbraw/zinc/80/91/66/906809166.db2.gz	BITKHMSSADAYQR-QZTJIDSGSA-N	1	0	357.454	1.713	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCN(c2cccc(CNC(=O)[C@H]3CC[C@@H](C)O3)n2)C1	ZINC001127852589	906909328	/nfs/dbraw/zinc/90/93/28/906909328.db2.gz	RPEWBXZBGDEDSH-KBAYOESNSA-N	1	0	356.470	1.457	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2nc(C3CC3)nn2C)CC1	ZINC000997010754	906922133	/nfs/dbraw/zinc/92/21/33/906922133.db2.gz	AREHGPBOHNNAKX-CVEARBPZSA-N	1	0	359.474	1.364	20	30		FDEDRO
C=C(Br)C[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1	ZINC000997013283	906933731	/nfs/dbraw/zinc/93/37/31/906933731.db2.gz	WPHMKYOVWGJPCR-NEPJUHHUSA-N	1	0	358.280	1.377	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1	ZINC001077715538	907114832	/nfs/dbraw/zinc/11/48/32/907114832.db2.gz	NSNRIYQOBFRXJA-BBWFWOEESA-N	1	0	365.518	1.853	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2c2ccccc2)nn1	ZINC001081099225	907125090	/nfs/dbraw/zinc/12/50/90/907125090.db2.gz	SRMFQRGQIQWYRM-JCGIZDLHSA-N	1	0	365.437	1.729	20	30		FDEDRO
Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2c2ccccc2)nn1C	ZINC001081098779	907163785	/nfs/dbraw/zinc/16/37/85/907163785.db2.gz	LVFJWKOUQHFESG-ZOCIIQOWSA-N	1	0	351.454	1.972	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([NH2+][C@@H](C)c2nncn2C)CC1	ZINC000997084890	907202887	/nfs/dbraw/zinc/20/28/87/907202887.db2.gz	MHRGWIOPIRWBOO-XIRDDKMYSA-N	1	0	361.490	1.828	20	30		FDEDRO
CCn1ncc(CN[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2c2ccccc2)n1	ZINC001081115715	907218634	/nfs/dbraw/zinc/21/86/34/907218634.db2.gz	KENJBUUJWZZYKC-VQTJNVASSA-N	1	0	363.465	1.796	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3nn[nH]c32)C[C@H]1c1ccccc1	ZINC001081170925	907293899	/nfs/dbraw/zinc/29/38/99/907293899.db2.gz	VONMHLLDULGVIG-XYJFISCASA-N	1	0	351.454	1.995	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)nc3cc(C)nn32)[C@H](OC)C1	ZINC001082376177	907304978	/nfs/dbraw/zinc/30/49/78/907304978.db2.gz	HQRLTHVESBZJQG-NVXWUHKLSA-N	1	0	357.458	1.741	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N2CCCC2=O)C[C@H]1c1ccccc1	ZINC001081227066	907342892	/nfs/dbraw/zinc/34/28/92/907342892.db2.gz	OQFMAHXUWANCFU-IPMKNSEASA-N	1	0	353.466	1.605	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1c1ccccc1	ZINC001081178181	907346597	/nfs/dbraw/zinc/34/65/97/907346597.db2.gz	JWCYQSQCWKMXAX-FCEWJHQRSA-N	1	0	361.873	1.849	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2nnnc2C(C)C)C[C@H]1c1ccccc1	ZINC001081192966	907370330	/nfs/dbraw/zinc/37/03/30/907370330.db2.gz	BJZDGVUAGSPUOC-ZWKOTPCHSA-N	1	0	368.485	1.957	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCCCN2C(C)=O)C[C@H]1c1ccccc1	ZINC001081193424	907372958	/nfs/dbraw/zinc/37/29/58/907372958.db2.gz	ZQEZHVBWPCNDFB-QHAWAJNXSA-N	1	0	367.493	1.995	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1OC	ZINC001082384766	907396067	/nfs/dbraw/zinc/39/60/67/907396067.db2.gz	KSPQEQNWIHDXLE-QHAWAJNXSA-N	1	0	369.509	1.728	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(C)nn(C)c3n2)[C@H](OC)C1	ZINC001082385513	907405649	/nfs/dbraw/zinc/40/56/49/907405649.db2.gz	OYSMNJTZCNLPTO-IAGOWNOFSA-N	1	0	357.458	1.672	20	30		FDEDRO
C#CCC[NH2+]Cc1ccncc1O[C@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1	ZINC001127898326	907586827	/nfs/dbraw/zinc/58/68/27/907586827.db2.gz	MGPIXVMAAGAWKM-HCXYKTFWSA-N	1	0	369.465	1.742	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)nn2)C1	ZINC001082450741	907729781	/nfs/dbraw/zinc/72/97/81/907729781.db2.gz	GHKWBOLQMCPNBI-NQBHXWOUSA-N	1	0	371.363	1.514	20	30		FDEDRO
C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1	ZINC001032408738	907812715	/nfs/dbraw/zinc/81/27/15/907812715.db2.gz	FMRNYWXPLGZHCW-FJIDUMEYSA-N	1	0	367.921	1.771	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C)n2)C[C@H]1C	ZINC001082449140	907817659	/nfs/dbraw/zinc/81/76/59/907817659.db2.gz	LNODLKVYYJMYSH-SJKOYZFVSA-N	1	0	353.426	1.849	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O	ZINC001077776176	907836989	/nfs/dbraw/zinc/83/69/89/907836989.db2.gz	GKGPDPCZHJGIPL-VAMGGRTRSA-N	1	0	370.497	1.482	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1[NH2+]CC(=O)N1CCCC[C@H]1C	ZINC001082483516	907905385	/nfs/dbraw/zinc/90/53/85/907905385.db2.gz	LQSNEIGKJDYZLV-CKEIUWERSA-N	1	0	357.458	1.337	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082472313	907922059	/nfs/dbraw/zinc/92/20/59/907922059.db2.gz	FSICAXUOVZCXPD-SUYBPPKGSA-N	1	0	358.417	1.160	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082472472	907922108	/nfs/dbraw/zinc/92/21/08/907922108.db2.gz	MRGYRWPNCREEDD-SUYBPPKGSA-N	1	0	358.417	1.160	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]Cc1ccc2nonc2c1	ZINC001082480169	907947761	/nfs/dbraw/zinc/94/77/61/907947761.db2.gz	KHMIDFIMUJZHNN-PIGZYNQJSA-N	1	0	350.382	1.673	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082485956	907976577	/nfs/dbraw/zinc/97/65/77/907976577.db2.gz	NFQZSNIKOVDNFK-CXAGYDPISA-N	1	0	368.441	1.155	20	30		FDEDRO
CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3F)C2)C1	ZINC001082489957	907995056	/nfs/dbraw/zinc/99/50/56/907995056.db2.gz	VOUDHABCFYGFAN-KZULUSFZSA-N	1	0	358.417	1.112	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2CCOC3(CCSCC3)C2)CC1	ZINC000921553724	908002201	/nfs/dbraw/zinc/00/22/01/908002201.db2.gz	FJHAERZVGCWIBU-INIZCTEOSA-N	1	0	351.516	1.828	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2ncc[nH]2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082492354	908011360	/nfs/dbraw/zinc/01/13/60/908011360.db2.gz	QRFDXVULCKEAKM-CRAIPNDOSA-N	1	0	367.453	1.881	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2nccc(C)n2)C[C@H]1C	ZINC001082494980	908026433	/nfs/dbraw/zinc/02/64/33/908026433.db2.gz	AKXPDNNUBJIYQE-CXAGYDPISA-N	1	0	365.437	1.916	20	30		FDEDRO
C#Cc1ccccc1CC(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000997250554	908054152	/nfs/dbraw/zinc/05/41/52/908054152.db2.gz	SGNFZFSFCXVWIK-RBUKOAKNSA-N	1	0	353.466	1.268	20	30		FDEDRO
COc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)ncn1	ZINC001082514757	908175534	/nfs/dbraw/zinc/17/55/34/908175534.db2.gz	AOLVFUCMACXUCF-CXAGYDPISA-N	1	0	351.410	1.607	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccccc2)CC1	ZINC000997356961	908305865	/nfs/dbraw/zinc/30/58/65/908305865.db2.gz	HOZAOBQYYNVUCE-AABGKKOBSA-N	1	0	365.477	1.894	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(C)o2)CC1	ZINC000997356959	908305906	/nfs/dbraw/zinc/30/59/06/908305906.db2.gz	HNZPNVGMJRBHND-SQNIBIBYSA-N	1	0	369.465	1.795	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc([C@@H]3CCCO3)s2)C1	ZINC001077802705	908348327	/nfs/dbraw/zinc/34/83/27/908348327.db2.gz	VIYZKSJMHGQMOJ-MCIONIFRSA-N	1	0	351.472	1.736	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)NC2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082555035	908550762	/nfs/dbraw/zinc/55/07/62/908550762.db2.gz	PKRFHWPEAZSIGF-DVOMOZLQSA-N	1	0	360.483	1.473	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2cc(C3CC3)nn2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082557474	908589969	/nfs/dbraw/zinc/58/99/69/908589969.db2.gz	HJUOEHQHGJNNCA-RDTXWAMCSA-N	1	0	364.453	1.664	20	30		FDEDRO
Cc1nn(C)cc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC001082564108	908659081	/nfs/dbraw/zinc/65/90/81/908659081.db2.gz	XAXHSJIIINYTMF-BFUOFWGJSA-N	1	0	369.444	1.919	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCN(C)C2=O)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082581230	908785708	/nfs/dbraw/zinc/78/57/08/908785708.db2.gz	CEHXIIPZAZIROP-XJKCOSOUSA-N	1	0	360.483	1.425	20	30		FDEDRO
COCCn1nccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001082582369	908797024	/nfs/dbraw/zinc/79/70/24/908797024.db2.gz	UAJXLKFGXVNAKF-CRAIPNDOSA-N	1	0	367.453	1.651	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cc(OCC)n[nH]2)C[C@H]1C	ZINC001082585036	908895241	/nfs/dbraw/zinc/89/52/41/908895241.db2.gz	CWDNLSDWZCDCNA-BXKDBHETSA-N	1	0	357.252	1.767	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCc3cncn3C2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082604131	908923351	/nfs/dbraw/zinc/92/33/51/908923351.db2.gz	DQTITZDGIBBTCD-MOXGXCLJSA-N	1	0	363.465	1.954	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082599873	908959038	/nfs/dbraw/zinc/95/90/38/908959038.db2.gz	OZAPGBXNLQZPFF-FZKQIMNGSA-N	1	0	368.412	1.646	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1	ZINC001082600134	908961946	/nfs/dbraw/zinc/96/19/46/908961946.db2.gz	BZVQKDFQBLPMFB-VNQPRFMTSA-N	1	0	371.437	1.107	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H]3CCN(C)C3=O)C2)cc1	ZINC001082600139	908962064	/nfs/dbraw/zinc/96/20/64/908962064.db2.gz	CEISWGLQEFPYEY-ZTFGCOKTSA-N	1	0	357.454	1.532	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCn3cncc3C2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082601064	908965713	/nfs/dbraw/zinc/96/57/13/908965713.db2.gz	KQDUEWKVQYROAG-MOXGXCLJSA-N	1	0	363.465	1.954	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)Cn2nc(C)cc2C)C[C@H]1C	ZINC001082630692	909174010	/nfs/dbraw/zinc/17/40/10/909174010.db2.gz	OQAHCICOBWYWMP-QMTHXVAHSA-N	1	0	355.280	1.845	20	30		FDEDRO
COc1cnc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)nc1	ZINC001082633500	909197122	/nfs/dbraw/zinc/19/71/22/909197122.db2.gz	RAGNAFOOEUHVQU-CXAGYDPISA-N	1	0	351.410	1.607	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)ccc2=O)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082635292	909225730	/nfs/dbraw/zinc/22/57/30/909225730.db2.gz	OITDQGOXATXXSW-RDTXWAMCSA-N	1	0	350.422	1.507	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082659794	909374920	/nfs/dbraw/zinc/37/49/20/909374920.db2.gz	BJYLPDYPOQAHJR-FXHACXQTSA-N	1	0	358.417	1.160	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082660389	909380573	/nfs/dbraw/zinc/38/05/73/909380573.db2.gz	YAKNVCJGLRKPOC-FXHACXQTSA-N	1	0	358.417	1.160	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082662538	909390981	/nfs/dbraw/zinc/39/09/81/909390981.db2.gz	IGHUUTZAERYQBR-BDJLRTHQSA-N	1	0	370.384	1.640	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2COCCN2CC(F)F)C[C@H]1C	ZINC001082665022	909448604	/nfs/dbraw/zinc/44/86/04/909448604.db2.gz	UPKGLUOEUMNCJV-RTXFEEFZSA-N	1	0	351.825	1.141	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cccc4cn[nH]c43)C[C@H]2C)C1=O	ZINC001082677478	909550484	/nfs/dbraw/zinc/55/04/84/909550484.db2.gz	OUGZFMZUXNUNHS-XOKHGSTOSA-N	1	0	367.453	1.400	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cccc4cn[nH]c43)C[C@H]2C)C1=O	ZINC001082677477	909551390	/nfs/dbraw/zinc/55/13/90/909551390.db2.gz	OUGZFMZUXNUNHS-KBRIMQKVSA-N	1	0	367.453	1.400	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(=O)n3ccsc3n2)C1	ZINC001082685652	909573178	/nfs/dbraw/zinc/57/31/78/909573178.db2.gz	DVJNDQVVGODMDF-TZMCWYRMSA-N	1	0	360.483	1.905	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)C1	ZINC001082681888	909600962	/nfs/dbraw/zinc/60/09/62/909600962.db2.gz	ACNLEKMWZFWTHL-OWCLPIDISA-N	1	0	371.547	1.307	20	30		FDEDRO
Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1	ZINC001082697891	909657286	/nfs/dbraw/zinc/65/72/86/909657286.db2.gz	DHNBPXJYHXQGCX-BDJLRTHQSA-N	1	0	369.400	1.752	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC(C[NH2+]Cc3ccc(C#N)cc3)CC2)C1	ZINC000997782861	909691313	/nfs/dbraw/zinc/69/13/13/909691313.db2.gz	ZSKRKMCNUFKFHR-DNVCBOLYSA-N	1	0	368.481	1.801	20	30		FDEDRO
Cc1ncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(C#N)ccc3F)C2)n1C	ZINC001082705986	909722771	/nfs/dbraw/zinc/72/27/71/909722771.db2.gz	OECORSMUZQCTMO-SJKOYZFVSA-N	1	0	355.417	1.990	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCc3nn[nH]c32)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082710366	909762412	/nfs/dbraw/zinc/76/24/12/909762412.db2.gz	QLZQTALZAZOCOX-MZMPZRCHSA-N	1	0	364.453	1.733	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082711112	909769840	/nfs/dbraw/zinc/76/98/40/909769840.db2.gz	MZPMFURZONCNNP-BDJLRTHQSA-N	1	0	355.373	1.031	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccc(Cl)[nH]3)C[C@H]2C)C1=O	ZINC001082726527	909852567	/nfs/dbraw/zinc/85/25/67/909852567.db2.gz	JFLJFTKPHHPXSO-KWCYVHTRSA-N	1	0	350.850	1.505	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc(=O)n2C)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082731643	909876870	/nfs/dbraw/zinc/87/68/70/909876870.db2.gz	LAGSBNFREVFKJW-CXAGYDPISA-N	1	0	368.412	1.646	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2c(C)csc2=O)C1	ZINC001082752123	909999481	/nfs/dbraw/zinc/99/94/81/909999481.db2.gz	RJVUFSUDURCXFY-MIGQKNRLSA-N	1	0	365.499	1.246	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc(C(C)C)n[nH]3)C[C@H]2C)C1=O	ZINC001082757387	910018809	/nfs/dbraw/zinc/01/88/09/910018809.db2.gz	YEVATGXXWBHRQY-JKIFEVAISA-N	1	0	359.474	1.370	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC2CCN(C(=O)[C@@H]3CCO[C@H]3CC)CC2)C1=O	ZINC000997927210	910030766	/nfs/dbraw/zinc/03/07/66/910030766.db2.gz	MGXMUKFRGWSVRQ-SQNIBIBYSA-N	1	0	363.502	1.417	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082778996	910127808	/nfs/dbraw/zinc/12/78/08/910127808.db2.gz	HVDVDQWPOZGSGB-CZUORRHYSA-N	1	0	363.483	1.318	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@@H]1CCC[N@H+](CC(=O)NC)CC1	ZINC000998005054	910153435	/nfs/dbraw/zinc/15/34/35/910153435.db2.gz	FDERWZKRGWPGBC-ZACQAIPSSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc4n(n3)CCCC4)C2)nn1	ZINC001082791251	910191743	/nfs/dbraw/zinc/19/17/43/910191743.db2.gz	IESQOKFRTDVUBX-RHSMWYFYSA-N	1	0	369.473	1.247	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2csc(-c3nc[nH]n3)n2)C[C@H]1C	ZINC001082804239	910231619	/nfs/dbraw/zinc/23/16/19/910231619.db2.gz	VRZNBFVKIDKMES-PSASIEDQSA-N	1	0	352.851	1.731	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nnnn2CCC)CC1	ZINC000998095236	910323917	/nfs/dbraw/zinc/32/39/17/910323917.db2.gz	TWZOEJQDBQQFLI-CVEARBPZSA-N	1	0	362.478	1.002	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nnc(C)n2CC)CC1	ZINC000998093814	910330393	/nfs/dbraw/zinc/33/03/93/910330393.db2.gz	FDTRPCQOPKPWJJ-SJORKVTESA-N	1	0	361.490	1.526	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cn(C(C)C)nn2)CC1	ZINC000998094580	910332719	/nfs/dbraw/zinc/33/27/19/910332719.db2.gz	LNRSPUUNYVBEJJ-MSOLQXFVSA-N	1	0	361.490	1.778	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000272968651	910346177	/nfs/dbraw/zinc/34/61/77/910346177.db2.gz	KOLIGXLYBQUYHG-QAPCUYQASA-N	1	0	370.453	1.138	20	30		FDEDRO
CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)nn1	ZINC001082828759	910347196	/nfs/dbraw/zinc/34/71/96/910347196.db2.gz	FMBFTVVTDFSSAZ-CXAGYDPISA-N	1	0	370.432	1.949	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CCCN(Cc2nncn2C)CC1	ZINC000998129622	910424738	/nfs/dbraw/zinc/42/47/38/910424738.db2.gz	IXXPOZSKJMIYMC-ZACQAIPSSA-N	1	0	361.490	1.609	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ncnn2C)CC1	ZINC000998138321	910447454	/nfs/dbraw/zinc/44/74/54/910447454.db2.gz	GIKJHOLCWLMSCZ-WMZOPIPTSA-N	1	0	361.490	1.515	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cnnn2CC)CC1	ZINC000998148418	910470422	/nfs/dbraw/zinc/47/04/22/910470422.db2.gz	QNSNMYJVLRPFRT-ROUUACIJSA-N	1	0	361.490	1.607	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@H]3CCNC(=O)CC3)C2)cn1	ZINC001082870841	910521857	/nfs/dbraw/zinc/52/18/57/910521857.db2.gz	OKFCNTZXNPOAKD-IIDMSEBBSA-N	1	0	354.454	1.029	20	30		FDEDRO
C=CCN1CC[C@H](N2C[C@@H](NC(=O)C3(CC(C)C)CC3)[C@H](OC)C2)C1=O	ZINC001212391339	910527343	/nfs/dbraw/zinc/52/73/43/910527343.db2.gz	RCVKECHLKBASKQ-IXDOHACOSA-N	1	0	363.502	1.415	20	30		FDEDRO
Cc1nc[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC001082884722	910663761	/nfs/dbraw/zinc/66/37/61/910663761.db2.gz	BXBVKTZVPPBNLB-KZULUSFZSA-N	1	0	355.417	1.908	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccc(F)cc3F)C[C@H]2C)C1=O	ZINC001082894403	910721396	/nfs/dbraw/zinc/72/13/96/910721396.db2.gz	INCFRHMTEQSDGN-CSMYWGQOSA-N	1	0	363.408	1.802	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)Cc3ccccc3F)C[C@H]2C)C1=O	ZINC001082895968	910772424	/nfs/dbraw/zinc/77/24/24/910772424.db2.gz	RZQWKJKDPSOTAJ-ZTFGCOKTSA-N	1	0	359.445	1.592	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cnn(C)c2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082940242	911007054	/nfs/dbraw/zinc/00/70/54/911007054.db2.gz	LTOMRLRYOIPXGH-DNVCBOLYSA-N	1	0	351.454	1.861	20	30		FDEDRO
C=CCCOCCNC(=O)N[C@@H]1C[C@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O	ZINC000921659872	911030233	/nfs/dbraw/zinc/03/02/33/911030233.db2.gz	KASPGRNJDYTTRA-YWTNHNAXSA-N	1	0	353.507	1.748	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000273139872	911117519	/nfs/dbraw/zinc/11/75/19/911117519.db2.gz	WMYPWQWKBHJRIB-INIZCTEOSA-N	1	0	357.454	1.896	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccccc3N(C)C)C[C@H]2C)C1=O	ZINC001082957264	911139013	/nfs/dbraw/zinc/13/90/13/911139013.db2.gz	YRNLJUOESQCGDK-KBAYOESNSA-N	1	0	370.497	1.590	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)c(C)c2)C[C@H]1O	ZINC001077821716	911143873	/nfs/dbraw/zinc/14/38/73/911143873.db2.gz	CKOSYQMAAFNBRE-NMLBUPMWSA-N	1	0	358.482	1.946	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C(N)=O)ccn2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082966381	911208996	/nfs/dbraw/zinc/20/89/96/911208996.db2.gz	CYQBOWJUUFOXPQ-FZKQIMNGSA-N	1	0	363.421	1.302	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCO[C@@H]2C[N@H+](CCc3ccc4c(c3)CCO4)C[C@@H]21	ZINC001083024551	911595984	/nfs/dbraw/zinc/59/59/84/911595984.db2.gz	RKFWODSXBOCMSC-UCLAIMLFSA-N	1	0	355.438	1.235	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CCO[C@@H]3C[N@H+](CCC[C@H]4CCOC4)C[C@@H]32)c1	ZINC001083040281	911761457	/nfs/dbraw/zinc/76/14/57/911761457.db2.gz	FKIKMOPUZOSJDV-JCGIZDLHSA-N	1	0	358.442	1.228	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(=O)[nH]c(C4CC4)n3)[C@H]2C1	ZINC001083114191	911911576	/nfs/dbraw/zinc/91/15/76/911911576.db2.gz	RGAHBUGWVALHTN-JKSUJKDBSA-N	1	0	358.442	1.551	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3cn4c(n3)CC[C@H](C)C4)[C@H]2C1	ZINC001083120124	911928566	/nfs/dbraw/zinc/92/85/66/911928566.db2.gz	AFHIBOAINNMBNG-RYQLBKOJSA-N	1	0	358.486	1.957	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4c(cc[nH]c4=O)n3)[C@H]2C1	ZINC001083124586	912086058	/nfs/dbraw/zinc/08/60/58/912086058.db2.gz	GSSIWERUGIPUGK-ZWKOTPCHSA-N	1	0	368.437	1.827	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3c[nH]c(Br)c3)[C@H]2C1	ZINC001083145453	912208003	/nfs/dbraw/zinc/20/80/03/912208003.db2.gz	JSVYORLPZXNWDV-QWHCGFSZSA-N	1	0	352.232	1.326	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cncn4)nc3)[C@@H]2C1	ZINC001084563008	915462581	/nfs/dbraw/zinc/46/25/81/915462581.db2.gz	OEPGKJGPAYZSBT-IAGOWNOFSA-N	1	0	352.442	1.775	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)COC4CCOCC4)[C@@H]3C2)cc1	ZINC001084697741	916305390	/nfs/dbraw/zinc/30/53/90/916305390.db2.gz	WQDBZIOPGAXPME-UYAOXDASSA-N	1	0	369.465	1.787	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccncn4)[C@@H]3C2)cc1	ZINC001084729402	916626056	/nfs/dbraw/zinc/62/60/56/916626056.db2.gz	BGNWXGWHLGDEEB-VQIMIIECSA-N	1	0	363.421	1.725	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(CO)cc4)C[C@H]32)nc1	ZINC001084783850	917088844	/nfs/dbraw/zinc/08/88/44/917088844.db2.gz	NKJCQDNUNUZFOC-TZIWHRDSSA-N	1	0	361.445	1.902	20	30		FDEDRO
C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(Cc4ccc(F)c(C#N)c4)C[C@H]32)C1	ZINC001084830244	917507444	/nfs/dbraw/zinc/50/74/44/917507444.db2.gz	PLLSWUIRPPHWLA-JTDSTZFVSA-N	1	0	356.445	1.682	20	30		FDEDRO
CC(C)[NH2+]C1CCN(CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1	ZINC000731031868	917644038	/nfs/dbraw/zinc/64/40/38/917644038.db2.gz	LGZGPFNTYDJOPS-MRXNPFEDSA-N	1	0	367.453	1.974	20	30		FDEDRO
CN1C[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)CCC1=O	ZINC001084854680	917724206	/nfs/dbraw/zinc/72/42/06/917724206.db2.gz	SYDXEYBZEDOMPI-GUDVDZBRSA-N	1	0	366.465	1.459	20	30		FDEDRO
Cn1cc(CC(=O)N2CC[C@H]3CC[N@H+](CC#Cc4ccccc4)[C@H]3C2)cn1	ZINC001084900536	918123414	/nfs/dbraw/zinc/12/34/14/918123414.db2.gz	GRLQFRSCCAOPJI-RTWAWAEBSA-N	1	0	362.477	1.937	20	30		FDEDRO
Fc1ccc(F)c(CNN=C2CC[NH+](CCN3CCOCC3)CC2)c1	ZINC000731558348	918198092	/nfs/dbraw/zinc/19/80/92/918198092.db2.gz	SSRIIQUUWXYUAH-UHFFFAOYSA-N	1	0	352.429	1.838	20	30		FDEDRO
Cn1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)cc1=O	ZINC001084915308	918283625	/nfs/dbraw/zinc/28/36/25/918283625.db2.gz	RJQFJYCFOHBFFC-AEFFLSMTSA-N	1	0	365.437	1.322	20	30		FDEDRO
C[C@H](C(=O)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1)n1cncn1	ZINC001084924854	918350835	/nfs/dbraw/zinc/35/08/35/918350835.db2.gz	WIOOMCANHFXJJH-RLLQIKCJSA-N	1	0	363.465	1.814	20	30		FDEDRO
Cc1nccnc1C[N@@H+]1CC[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]21	ZINC001084925696	918360636	/nfs/dbraw/zinc/36/06/36/918360636.db2.gz	SXYIKSLYRMLKAS-KDOFPFPSSA-N	1	0	350.426	1.721	20	30		FDEDRO
Cn1ncc(C(=O)N2CC[C@H]3CC[N@H+](Cc4ccc(C#N)s4)[C@H]3C2)c1N	ZINC001084926302	918392168	/nfs/dbraw/zinc/39/21/68/918392168.db2.gz	WYCXDFGUSSYFRR-WBMJQRKESA-N	1	0	370.482	1.672	20	30		FDEDRO
CN1C[C@H](C(=O)N2CC[C@H]3CC[N@H+](CC#Cc4ccccc4)[C@H]3C2)CC1=O	ZINC001084952640	918726502	/nfs/dbraw/zinc/72/65/02/918726502.db2.gz	BKIZNLLDTYUORI-AQNXPRMDSA-N	1	0	365.477	1.439	20	30		FDEDRO
CCOc1c(C=NNC(=S)NCCC[NH+](C)C)c(C)nn1CC(C)C	ZINC000731931244	918855834	/nfs/dbraw/zinc/85/58/34/918855834.db2.gz	ZZZLHRFLSRPWDJ-UHFFFAOYSA-N	1	0	368.551	1.996	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCO[C@H]3c3ccnn3CC)C[C@@H]21	ZINC001084963324	918889972	/nfs/dbraw/zinc/88/99/72/918889972.db2.gz	MLBRZFXRYKDUOZ-IZBJGVDFSA-N	1	0	370.497	1.927	20	30		FDEDRO
CC(C)(C(N)=O)C(=O)N1CC[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@H]2C1	ZINC001084963692	918895307	/nfs/dbraw/zinc/89/53/07/918895307.db2.gz	MVRJOXFUGJHZHP-SJORKVTESA-N	1	0	354.454	1.493	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3ncc4cc(C)cnc43)C[C@@H]21	ZINC001084990773	919322323	/nfs/dbraw/zinc/32/23/23/919322323.db2.gz	AJOGXZRKRAVMKY-AEFFLSMTSA-N	1	0	351.454	1.686	20	30		FDEDRO
C=C(Cl)CN1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@@H]21	ZINC001084993248	919368623	/nfs/dbraw/zinc/36/86/23/919368623.db2.gz	UZDFRJLWIAYWEG-ASLPWWTFSA-N	1	0	365.905	1.525	20	30		FDEDRO
CN1C(=O)CC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001085008854	919558229	/nfs/dbraw/zinc/55/82/29/919558229.db2.gz	UJYKVCZTYMZGSB-AABGKKOBSA-N	1	0	365.477	1.582	20	30		FDEDRO
C[C@]1(C(=O)N2CC[C@H]3CC[N@H+](CC#Cc4ccccc4)[C@H]3C2)CCNC1=O	ZINC001085030350	919871640	/nfs/dbraw/zinc/87/16/40/919871640.db2.gz	BSPHCSUULKRIJB-DXIQSLLYSA-N	1	0	365.477	1.487	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3CC[N@@H+](CCC(F)(F)F)[C@H]3C2)nn1	ZINC001085051916	920100086	/nfs/dbraw/zinc/10/00/86/920100086.db2.gz	QVXATSDEJRBOAJ-OCCSQVGLSA-N	1	0	357.380	1.953	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)CCc4cn[nH]c4)C[C@@H]32)C1=O	ZINC001085052331	920110816	/nfs/dbraw/zinc/11/08/16/920110816.db2.gz	BNVURAAWMRSFQL-KSZLIROESA-N	1	0	371.485	1.052	20	30		FDEDRO
C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000732810544	920156736	/nfs/dbraw/zinc/15/67/36/920156736.db2.gz	CENQFXSBCWXEFW-CQSZACIVSA-N	1	0	368.359	1.982	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NCC[N@@H+](C)C(C)C)ccc1F	ZINC000733171660	920726427	/nfs/dbraw/zinc/72/64/27/920726427.db2.gz	SUNOMHNAGLUWPI-UHFFFAOYSA-N	1	0	357.451	1.360	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3-n3cnnn3)C[C@@H]21	ZINC001085090999	920777719	/nfs/dbraw/zinc/77/77/19/920777719.db2.gz	WASUSSKLNQRWSC-QAPCUYQASA-N	1	0	352.442	1.775	20	30		FDEDRO
O=C(NCC[NH2+]Cc1ccc(-n2cncn2)c(F)c1)C1N=CC=CC1=O	ZINC000733333506	920989588	/nfs/dbraw/zinc/98/95/88/920989588.db2.gz	OBUFAPVKZYLKNQ-WUKNDPDISA-N	1	0	356.361	1.022	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccncc2F)C1=O	ZINC001085158369	921866183	/nfs/dbraw/zinc/86/61/83/921866183.db2.gz	ZBQMMDNSFXUZEB-ZACQAIPSSA-N	1	0	360.433	1.638	20	30		FDEDRO
CC(C)N1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C#N)c[nH]2)C1=O	ZINC001085162256	921905276	/nfs/dbraw/zinc/90/52/76/921905276.db2.gz	JCKMAJBFNLNXAA-OAGGEKHMSA-N	1	0	357.458	1.526	20	30		FDEDRO
CN1CCOC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001085175008	921996407	/nfs/dbraw/zinc/99/64/07/921996407.db2.gz	ATYVMIFWDCBODW-GUDVDZBRSA-N	1	0	356.470	1.406	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccnn2CC)C1=O	ZINC001085181336	922036248	/nfs/dbraw/zinc/03/62/48/922036248.db2.gz	XFEZADJHNGKDFI-OAGGEKHMSA-N	1	0	359.474	1.321	20	30		FDEDRO
CC(=O)N1CC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)C1	ZINC001085181518	922038355	/nfs/dbraw/zinc/03/83/55/922038355.db2.gz	GLYRUTIWPFCKFS-RTBURBONSA-N	1	0	354.454	1.554	20	30		FDEDRO
Cn1nncc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001085187404	922076002	/nfs/dbraw/zinc/07/60/02/922076002.db2.gz	GIFOZUYVSOYTGR-HZPDHXFCSA-N	1	0	356.405	1.657	20	30		FDEDRO
CN1CC[N@H+](C)CC(C(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)C1	ZINC000823783664	922085662	/nfs/dbraw/zinc/08/56/62/922085662.db2.gz	JEQUOONHUIDFBK-OAHLLOKOSA-N	1	0	370.375	1.759	20	30		FDEDRO
C[N@H+](CCNC(=O)CCNC(=O)C1N=CC=CC1=O)Cc1ccccc1	ZINC000733890129	922261936	/nfs/dbraw/zinc/26/19/36/922261936.db2.gz	ICGRDXHVBTVUDO-VHEBQXMUSA-N	1	0	356.426	1.151	20	30		FDEDRO
CC#CCCCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001065483258	922317885	/nfs/dbraw/zinc/31/78/85/922317885.db2.gz	GNGSQTCKWKHVHT-OKZBNKHCSA-N	1	0	363.502	1.254	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2ncccc2C#N)CC[N@@H+]1C	ZINC001066198647	922589650	/nfs/dbraw/zinc/58/96/50/922589650.db2.gz	OXOISLWKVSJCAH-DDBAPUKQSA-N	1	0	353.470	1.863	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2ccncc2C)C1=O	ZINC001085198670	922650075	/nfs/dbraw/zinc/65/00/75/922650075.db2.gz	FRZQJNYLORHNIX-QRVBRYPASA-N	1	0	370.497	1.736	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC(=O)N(CCOC)C1	ZINC001085217160	922858273	/nfs/dbraw/zinc/85/82/73/922858273.db2.gz	QBRPRHISUKEPSF-RBSFLKMASA-N	1	0	357.882	1.251	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnc(OC)c1	ZINC001085229968	922983401	/nfs/dbraw/zinc/98/34/01/922983401.db2.gz	UAQAFCWKWBMZEL-QRVBRYPASA-N	1	0	370.497	1.705	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cn[nH]n2)cc1C#N	ZINC001085256647	923230477	/nfs/dbraw/zinc/23/04/77/923230477.db2.gz	PJVNBDVFSRJUHC-HUUCEWRRSA-N	1	0	354.414	1.516	20	30		FDEDRO
Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)ncc1=O	ZINC001085279516	923462012	/nfs/dbraw/zinc/46/20/12/923462012.db2.gz	PACPLAHESVPPRN-IAGOWNOFSA-N	1	0	365.437	1.483	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2nc(C)nn2C1	ZINC001085282093	923491979	/nfs/dbraw/zinc/49/19/79/923491979.db2.gz	AYSGOCSYIMBQJR-RRFJBIMHSA-N	1	0	351.882	1.918	20	30		FDEDRO
C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)CNC(=O)C1	ZINC001085283225	923503329	/nfs/dbraw/zinc/50/33/29/923503329.db2.gz	HABDZXHIQKRRET-HLIPFELVSA-N	1	0	354.454	1.601	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCNC2=O)cc1C#N	ZINC001085296075	923656496	/nfs/dbraw/zinc/65/64/96/923656496.db2.gz	MTUCWSHBUALFQN-BRWVUGGUSA-N	1	0	370.453	1.220	20	30		FDEDRO
CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001085307098	923716608	/nfs/dbraw/zinc/71/66/08/923716608.db2.gz	FVWJWWSKYIALKF-KZNAEPCWSA-N	1	0	354.454	1.696	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC(=O)N1C	ZINC001085307492	923718445	/nfs/dbraw/zinc/71/84/45/923718445.db2.gz	ZYKMAKFVRGFPFN-JHJVBQTASA-N	1	0	358.280	1.533	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(OC)ccn2)nn1	ZINC001085356801	924180586	/nfs/dbraw/zinc/18/05/86/924180586.db2.gz	PHAIOZTZHQUMFT-IAGOWNOFSA-N	1	0	370.457	1.699	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(F)cn2)nn1	ZINC001085357217	924185893	/nfs/dbraw/zinc/18/58/93/924185893.db2.gz	JGIBHSQSQDDJQI-HZPDHXFCSA-N	1	0	358.421	1.829	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nccnc2C)nn1	ZINC001085357367	924186926	/nfs/dbraw/zinc/18/69/26/924186926.db2.gz	RLKYTIPVSPJVRH-HUUCEWRRSA-N	1	0	355.446	1.393	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC001085359729	924210105	/nfs/dbraw/zinc/21/01/05/924210105.db2.gz	XKXPCCXKUAVGGD-DODZYUBVSA-N	1	0	354.454	1.251	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCCC1=O	ZINC001085360589	924221308	/nfs/dbraw/zinc/22/13/08/924221308.db2.gz	OHYFBMSOCAMVAY-FAJBIJEISA-N	1	0	363.502	1.607	20	30		FDEDRO
C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@H](C)N1CC#N	ZINC000826715409	924298895	/nfs/dbraw/zinc/29/88/95/924298895.db2.gz	LXOOXYHBGOQMAG-BBWFWOEESA-N	1	0	363.506	1.115	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C(N)=O)c[nH]2)c1	ZINC001085376652	924316908	/nfs/dbraw/zinc/31/69/08/924316908.db2.gz	NKVSONPMPRNAIS-IAGOWNOFSA-N	1	0	365.437	1.816	20	30		FDEDRO
C[NH+](C)CC1(O)CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000826779162	924325282	/nfs/dbraw/zinc/32/52/82/924325282.db2.gz	DKSRBPDGRKDXMI-GOSISDBHSA-N	1	0	356.470	1.442	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(Cl)no2)C1=O	ZINC001085401315	924473030	/nfs/dbraw/zinc/47/30/30/924473030.db2.gz	IXTKAPWYHLETJK-JHJVBQTASA-N	1	0	366.849	1.746	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(C)[nH]1	ZINC001085406399	924484949	/nfs/dbraw/zinc/48/49/49/924484949.db2.gz	DHIZKHWWFBGRGI-QZTJIDSGSA-N	1	0	351.454	1.854	20	30		FDEDRO
N#Cc1cccnc1NCCNC(=O)CC1([NH+]2CCOCC2)CCCC1	ZINC000735854731	924622747	/nfs/dbraw/zinc/62/27/47/924622747.db2.gz	WCESXGQCLYLQMA-UHFFFAOYSA-N	1	0	357.458	1.516	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)CC1	ZINC000735937076	924685388	/nfs/dbraw/zinc/68/53/88/924685388.db2.gz	FMVGKRLDRUYBEW-AWEZNQCLSA-N	1	0	372.421	1.673	20	30		FDEDRO
CN1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)CCC1=O	ZINC001085433973	924692895	/nfs/dbraw/zinc/69/28/95/924692895.db2.gz	NVXZTSJCWJVTLR-GUDVDZBRSA-N	1	0	368.481	1.944	20	30		FDEDRO
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC(C(=O)NCC[NH+](C)C)CC1	ZINC000739912830	925322848	/nfs/dbraw/zinc/32/28/48/925322848.db2.gz	VWYBDDLXPNTWEZ-GOSISDBHSA-N	1	0	372.469	1.162	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CN2CCN(Cc3ccccc3)CC2)CC1	ZINC000740736056	925419747	/nfs/dbraw/zinc/41/97/47/925419747.db2.gz	BQIFXUALPSCJJG-UHFFFAOYSA-N	1	0	368.525	1.408	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000740893401	925490762	/nfs/dbraw/zinc/49/07/62/925490762.db2.gz	LHMWKHJUQUIDDY-QGZVFWFLSA-N	1	0	363.483	1.788	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@]1(C)C[N@H+](CC2CCOCC2)CCO1	ZINC001108226054	925539014	/nfs/dbraw/zinc/53/90/14/925539014.db2.gz	HOOQHFAHJCQHAL-ZIFCJYIRSA-N	1	0	352.475	1.211	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(C(=O)O[C@H](C)C(=O)N(C)CCC#N)cc2)CC1	ZINC000741340429	925716540	/nfs/dbraw/zinc/71/65/40/925716540.db2.gz	IZEJPEDQDBTYSY-MRXNPFEDSA-N	1	0	372.469	1.746	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1	ZINC001086089671	925937616	/nfs/dbraw/zinc/93/76/16/925937616.db2.gz	KNJXLKIGKVWULR-AVEIZBFRSA-N	1	0	363.502	1.368	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nnc(C)n2CC)C1	ZINC001086089028	925944678	/nfs/dbraw/zinc/94/46/78/925944678.db2.gz	DONKVTYQGNOBPQ-TWMKSMIVSA-N	1	0	361.490	1.572	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CCNc3cnc(C#N)cn3)C2)CC[N@@H+]1C	ZINC001066393352	925968007	/nfs/dbraw/zinc/96/80/07/925968007.db2.gz	HOENRBBFAVBJOK-HYVNUMGLSA-N	1	0	356.474	1.729	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC[N@H+]1CCC[C@H]1C	ZINC000742242085	925982990	/nfs/dbraw/zinc/98/29/90/925982990.db2.gz	RVDXYWOFMQJFKX-CYBMUJFWSA-N	1	0	354.458	1.751	20	30		FDEDRO
Cc1cc(NCC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C#N)cn1	ZINC001066393765	925983005	/nfs/dbraw/zinc/98/30/05/925983005.db2.gz	LUOLBVMGLYTSNF-SOLBZPMBSA-N	1	0	355.486	1.674	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCn2c(C)csc2=O)C1	ZINC001086202016	926286573	/nfs/dbraw/zinc/28/65/73/926286573.db2.gz	CWNYZTXIEOSNMN-QXSJWSMHSA-N	1	0	365.499	1.294	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(C(N)=O)c2)C1	ZINC001086202279	926287507	/nfs/dbraw/zinc/28/75/07/926287507.db2.gz	QSLFRACEFXUUPW-SPUZQDLCSA-N	1	0	357.454	1.361	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nnc(C3CC3)[nH]2)C1	ZINC001086223112	926338322	/nfs/dbraw/zinc/33/83/22/926338322.db2.gz	YWHBWYFNRDSGMX-GUSZCTEKSA-N	1	0	359.474	1.648	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3CCO[C@H]3C(=C)C)C2)C1=O	ZINC001086223552	926340483	/nfs/dbraw/zinc/34/04/83/926340483.db2.gz	VHCYHVDFYSQAHX-RZFLPCETSA-N	1	0	361.486	1.239	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](CNc3ccnc(C#N)n3)CC2)CC[N@@H+]1C	ZINC001066451088	926354242	/nfs/dbraw/zinc/35/42/42/926354242.db2.gz	OULRGAMCEPALOI-LUKYLMHMSA-N	1	0	370.501	1.587	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](CNc3ccc(C#N)nn3)CC2)CC[N@@H+]1C	ZINC001066450762	926358232	/nfs/dbraw/zinc/35/82/32/926358232.db2.gz	CPQYTODWCBPZEV-KCYZZUKISA-N	1	0	356.474	1.775	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)Cc2ccccc2C1	ZINC000743634457	926419889	/nfs/dbraw/zinc/41/98/89/926419889.db2.gz	RBXPWHFKMSTMGV-IBGZPJMESA-N	1	0	367.497	1.467	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NC1CC[NH+](CCC)CC1	ZINC000743917818	926493599	/nfs/dbraw/zinc/49/35/99/926493599.db2.gz	VDTWBMKIVSGQFU-UHFFFAOYSA-N	1	0	361.417	1.767	20	30		FDEDRO
C=CCn1cccc1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2	ZINC001006294872	926568866	/nfs/dbraw/zinc/56/88/66/926568866.db2.gz	OZKROSNXKMUWHS-MLHJIOFPSA-N	1	0	370.497	1.878	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@]1(C)C[N@H+](CCCOC)CCO1	ZINC001108271533	927080096	/nfs/dbraw/zinc/08/00/96/927080096.db2.gz	YNTHDVRXSUTWJM-JENIJYKNSA-N	1	0	354.491	1.601	20	30		FDEDRO
C#CCN(CC#CC)C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000745482013	927259669	/nfs/dbraw/zinc/25/96/69/927259669.db2.gz	HDNCTIGCLHPDLL-UHFFFAOYSA-N	1	0	366.509	1.992	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](NC(=O)CC[N@@H+](C)CC)CC1	ZINC001066540324	927387117	/nfs/dbraw/zinc/38/71/17/927387117.db2.gz	KWJJDELMTASKRV-LNLFQRSKSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)nnn3C)C1	ZINC001086481051	927517023	/nfs/dbraw/zinc/51/70/23/927517023.db2.gz	LGTUOWISRFQDTL-NNFUDEMPSA-N	1	0	369.469	1.544	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)CCC[NH+](C)C)CC1	ZINC001066549169	927556083	/nfs/dbraw/zinc/55/60/83/927556083.db2.gz	UQXUYXZBBKELLE-BBWFWOEESA-N	1	0	351.491	1.417	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ncnn2CCF)C1	ZINC001086503769	927710812	/nfs/dbraw/zinc/71/08/12/927710812.db2.gz	MPSFSYNWXALMSI-JKQORVJESA-N	1	0	365.453	1.213	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1	ZINC000746297450	927741706	/nfs/dbraw/zinc/74/17/06/927741706.db2.gz	YCSWVIKQYGJRSC-LQVYMMNQSA-N	1	0	372.469	1.378	20	30		FDEDRO
N#CCn1cc(NC(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)cn1	ZINC000746378706	927928339	/nfs/dbraw/zinc/92/83/39/927928339.db2.gz	ATWOFKMOESLSKY-UHFFFAOYSA-N	1	0	372.473	1.506	20	30		FDEDRO
N#C/N=C1\SCCN1Cc1ccc(N(CC[NH3+])c2cccnc2)nc1	ZINC001168830452	928121459	/nfs/dbraw/zinc/12/14/59/928121459.db2.gz	PKVSQLXJKZOMOS-XLNRJJMWSA-N	1	0	353.455	1.959	20	30		FDEDRO
Cc1ccc(C(=Nc2ccc(S(=O)(=O)C3CC[NH2+]CC3)cc2)NO)nc1	ZINC001169408787	928513119	/nfs/dbraw/zinc/51/31/19/928513119.db2.gz	YTLXBOOVRHJQPS-UHFFFAOYSA-N	1	0	374.466	1.973	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1cc(F)cc(C#N)c1	ZINC000866995594	928656315	/nfs/dbraw/zinc/65/63/15/928656315.db2.gz	HCCSVGMOSVSSBC-PVAVHDDUSA-N	1	0	367.446	1.570	20	30		FDEDRO
CCOC(=O)C1(Nc2ccc(C(=O)OC)c(CC#N)c2)CC[NH+](C)CC1	ZINC001169496449	928683108	/nfs/dbraw/zinc/68/31/08/928683108.db2.gz	VOHHLRMSVZVVDL-UHFFFAOYSA-N	1	0	359.426	1.979	20	30		FDEDRO
COC(=O)[C@H](C[NH3+])Cc1ccc(N=C(NO)c2ccc(OC)cn2)cc1	ZINC001169608176	928786641	/nfs/dbraw/zinc/78/66/41/928786641.db2.gz	HLQOZBNGXUCKBJ-ZDUSSCGKSA-N	1	0	358.398	1.438	20	30		FDEDRO
C=CCCC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CCO[C@H]3C3CC3)CC2=O)C1	ZINC001108555720	928910704	/nfs/dbraw/zinc/91/07/04/928910704.db2.gz	WVMTUYKQOPJIDF-SUMDDJOVSA-N	1	0	361.486	1.169	20	30		FDEDRO
C=CC[N@@H+](C)CCN(CC)Cc1nc2ncc(Br)cn2n1	ZINC001169844188	928928035	/nfs/dbraw/zinc/92/80/35/928928035.db2.gz	LQUDPCISLIDWRD-UHFFFAOYSA-N	1	0	353.268	1.827	20	30		FDEDRO
C=CC[C@@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)c1ccncc1	ZINC000767018370	929047113	/nfs/dbraw/zinc/04/71/13/929047113.db2.gz	JYNSAFWLWJCEOE-QZTJIDSGSA-N	1	0	371.485	1.647	20	30		FDEDRO
Cn1ncc2c1nc(NN=Cc1ccc(OCC[NH+](C)C)cc1)[nH]c2=O	ZINC000769818004	929664010	/nfs/dbraw/zinc/66/40/10/929664010.db2.gz	CWGHFQJPVJZULB-UHFFFAOYSA-N	1	0	355.402	1.455	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3nc(C)nn3C1)C2	ZINC001109544587	929741253	/nfs/dbraw/zinc/74/12/53/929741253.db2.gz	CQNVMCQOUZTMAO-YVSFHVDLSA-N	1	0	359.474	1.073	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccn(C)c(=O)c1	ZINC001109562775	929781085	/nfs/dbraw/zinc/78/10/85/929781085.db2.gz	AHYAJYQBAOEJCE-OEMYIYORSA-N	1	0	373.497	1.836	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccccc1C(N)=O)C2	ZINC001109587691	929868585	/nfs/dbraw/zinc/86/85/85/929868585.db2.gz	VEBCVQKAPHWBGL-NJAFHUGGSA-N	1	0	357.454	1.252	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCNC(C)=O	ZINC001109633063	929969749	/nfs/dbraw/zinc/96/97/49/929969749.db2.gz	NFEHFZUOMVBLLS-BGTYHANMSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-n3cccn3)ccn1)C2	ZINC001109709832	930184367	/nfs/dbraw/zinc/18/43/67/930184367.db2.gz	ZEKTVKXYBLRASU-AYBZRNKSSA-N	1	0	367.453	1.805	20	30		FDEDRO
CCCS(=O)(=O)N1CCCC[C@H]1C(=O)O[C@H](C)C#CC[NH+](CC)CC	ZINC000770804713	930266514	/nfs/dbraw/zinc/26/65/14/930266514.db2.gz	DXTPQVKZPMGPAO-SJORKVTESA-N	1	0	372.531	1.858	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cccc(CN2C(=O)CNC2=O)c1	ZINC000770807205	930268067	/nfs/dbraw/zinc/26/80/67/930268067.db2.gz	YATGMUYTWBKUEE-OAHLLOKOSA-N	1	0	371.437	1.629	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccc(S(=O)(=O)N(C)C)nc1	ZINC000770895002	930319754	/nfs/dbraw/zinc/31/97/54/930319754.db2.gz	WWEMYQLBXRURAG-AWEZNQCLSA-N	1	0	367.471	1.222	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3[nH]c(=O)[nH]c3c1)C2	ZINC001109764752	930360352	/nfs/dbraw/zinc/36/03/52/930360352.db2.gz	KOHQWBBGHXQMRI-COXVUDFISA-N	1	0	356.426	1.806	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COC[C@H]2CCOC2)C3)cc1	ZINC001109788378	930424032	/nfs/dbraw/zinc/42/40/32/930424032.db2.gz	FZQDSZYCLJVWMT-YRPNKDGESA-N	1	0	369.465	1.833	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCCC	ZINC001109805447	930497246	/nfs/dbraw/zinc/49/72/46/930497246.db2.gz	AGLZNXSRFOSEHF-XWSJACJDSA-N	1	0	365.518	1.996	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](O)COC)cc1	ZINC001109811758	930509466	/nfs/dbraw/zinc/50/94/66/930509466.db2.gz	UWRNMZWBPLMTTL-NEPXVJNWSA-N	1	0	358.438	1.041	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1nc(C3CC3)no1)C2	ZINC001109815730	930519272	/nfs/dbraw/zinc/51/92/72/930519272.db2.gz	OLDJMCVLGPLDJF-PMPSAXMXSA-N	1	0	360.458	1.804	20	30		FDEDRO
C#CC[NH2+]CC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1	ZINC000746513458	930865965	/nfs/dbraw/zinc/86/59/65/930865965.db2.gz	HSAXTVGRSCXAGG-UHFFFAOYSA-N	1	0	354.237	1.501	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(CNC(=O)c3ccccn3)CC2)CC1	ZINC000771815289	930924159	/nfs/dbraw/zinc/92/41/59/930924159.db2.gz	OIVATJXWWKVQAC-UHFFFAOYSA-N	1	0	368.481	1.395	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCOCCOCC)C2	ZINC001109976244	930934412	/nfs/dbraw/zinc/93/44/12/930934412.db2.gz	YHDPHVHJGQBBCN-SQNIBIBYSA-N	1	0	354.491	1.744	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)NCCOc2cccc(C)c2)CC1	ZINC000772110678	931079532	/nfs/dbraw/zinc/07/95/32/931079532.db2.gz	WFDUBVKLOFPWPG-KRWDZBQOSA-N	1	0	372.465	1.767	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)c1ccccc1C)C2	ZINC001110074677	931390072	/nfs/dbraw/zinc/39/00/72/931390072.db2.gz	BJKICYJILDXYEC-NEWSRXKRSA-N	1	0	371.481	1.649	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NCc1ccc(C[NH+](CC)CC)cc1)[C@@H]1CCCO1	ZINC000785558949	931453073	/nfs/dbraw/zinc/45/30/73/931453073.db2.gz	ATIUPGUSKMIFJY-OALUTQOASA-N	1	0	371.481	1.442	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@]1(C)CCCOC1)C2	ZINC001112552343	931528774	/nfs/dbraw/zinc/52/87/74/931528774.db2.gz	SIJCVKFXZYNBPT-VDGAXYAQSA-N	1	0	363.502	1.324	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(F)CCCCC1)C2	ZINC001112557252	931544443	/nfs/dbraw/zinc/54/44/43/931544443.db2.gz	VWZCRUMHOSLNSN-YJBOKZPZSA-N	1	0	364.465	1.517	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)CCCOC)C2	ZINC001112559308	931583711	/nfs/dbraw/zinc/58/37/11/931583711.db2.gz	RAMKKUWWDLDPFH-UWVAXJGDSA-N	1	0	365.518	1.570	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)CCCOC)C2	ZINC001112559309	931583921	/nfs/dbraw/zinc/58/39/21/931583921.db2.gz	RAMKKUWWDLDPFH-ZWOKBUDYSA-N	1	0	365.518	1.570	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1)C1CCCC1	ZINC001112560910	931605332	/nfs/dbraw/zinc/60/53/32/931605332.db2.gz	WREXGCGGFDUWPK-KNBMTAEXSA-N	1	0	360.502	1.671	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC(C)C)C2)cn1	ZINC001112566298	931618323	/nfs/dbraw/zinc/61/83/23/931618323.db2.gz	VNZUUFCYTGHZPN-UWJYYQICSA-N	1	0	368.481	1.419	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COc1ccccc1)C2	ZINC001112568975	931633365	/nfs/dbraw/zinc/63/33/65/931633365.db2.gz	WUPSLOHSAISTDU-UWJYYQICSA-N	1	0	369.465	1.033	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(Cl)no1)C2	ZINC001112566882	931636877	/nfs/dbraw/zinc/63/68/77/931636877.db2.gz	HMHGWRFSJRAXIT-SJCJKPOMSA-N	1	0	366.849	1.462	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(-n3cnnn3)cc1)C2	ZINC001112574406	931683920	/nfs/dbraw/zinc/68/39/20/931683920.db2.gz	GHYMDLZBWJUKLA-LPHOPBHVSA-N	1	0	350.426	1.127	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@@H]1NC(=O)NC1=O)C2	ZINC001112575382	931703724	/nfs/dbraw/zinc/70/37/24/931703724.db2.gz	GKPGMPBNVPYCMH-DOXZYTNZSA-N	1	0	362.474	1.159	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1C(=O)CCC1=O)C2	ZINC001112575392	931703782	/nfs/dbraw/zinc/70/37/82/931703782.db2.gz	GXWYUFQBVJDNLO-GUYCJALGSA-N	1	0	353.850	1.106	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc(-n3cnnn3)c1)C2	ZINC001112576379	931712905	/nfs/dbraw/zinc/71/29/05/931712905.db2.gz	KRYMXSXYGIONQH-PXNSSMCTSA-N	1	0	364.453	1.518	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)[C@@H](C)CC)C2	ZINC001112580655	931727503	/nfs/dbraw/zinc/72/75/03/931727503.db2.gz	XYSGNYSQCRMDOA-ZWOKBUDYSA-N	1	0	365.518	1.570	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1nc3ncccn3n1)C2	ZINC001112578373	931734177	/nfs/dbraw/zinc/73/41/77/931734177.db2.gz	LMTXFNKEOCFKLY-JXFKEZNVSA-N	1	0	368.485	1.851	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c[nH]cc1C)C2	ZINC001112578634	931734556	/nfs/dbraw/zinc/73/45/56/931734556.db2.gz	XYVOPXUJHIZNIO-FTRWYGJKSA-N	1	0	356.470	1.293	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1nc3ncccn3n1)C2	ZINC001112578618	931734620	/nfs/dbraw/zinc/73/46/20/931734620.db2.gz	XMNALNXXXGRKCG-JXFKEZNVSA-N	1	0	368.485	1.851	20	30		FDEDRO
CCN(CCC#N)C(=O)COC(=O)CC1([NH+]2CCOCC2)CCCC1	ZINC000786096489	931747840	/nfs/dbraw/zinc/74/78/40/931747840.db2.gz	BRMUGFYAQPJOEV-UHFFFAOYSA-N	1	0	351.447	1.327	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCc3nnc(C)n3C1)C2	ZINC001112583684	931757118	/nfs/dbraw/zinc/75/71/18/931757118.db2.gz	FIATZHJAKNNVMD-ZWOKBUDYSA-N	1	0	357.502	1.943	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)c1ccccn1)C2	ZINC001112584307	931782729	/nfs/dbraw/zinc/78/27/29/931782729.db2.gz	LXPKKRRWDLTLAJ-UWJYYQICSA-N	1	0	370.497	1.996	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC(C)C)C1	ZINC001112589385	931802839	/nfs/dbraw/zinc/80/28/39/931802839.db2.gz	XLTMMDXTSHAFPI-PXNSSMCTSA-N	1	0	365.518	1.570	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCOCCOC)C2	ZINC001112589243	931802865	/nfs/dbraw/zinc/80/28/65/931802865.db2.gz	QMQGQHNAXRNFOL-HKUYNNGSSA-N	1	0	354.491	1.460	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(NC(=O)NC)cc1)C2	ZINC001112587529	931812543	/nfs/dbraw/zinc/81/25/43/931812543.db2.gz	BZWARYCEFJVMMW-JXFKEZNVSA-N	1	0	354.454	1.903	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC2(C#N)CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C	ZINC000786642750	931990166	/nfs/dbraw/zinc/99/01/66/931990166.db2.gz	PLOVRKMHRULVIW-ZIAGYGMSSA-N	1	0	350.463	1.736	20	30		FDEDRO
N#CCc1cccnc1N(CC[NH3+])S(=O)(=O)c1cccc2cnccc21	ZINC001170067008	932145458	/nfs/dbraw/zinc/14/54/58/932145458.db2.gz	PQZPFQMMPGFDEV-UHFFFAOYSA-N	1	0	367.434	1.850	20	30		FDEDRO
O=S(=O)(NN=C1CCOC[C@H]1C[NH+]1CCCCC1)c1ccccc1	ZINC000787147344	932195898	/nfs/dbraw/zinc/19/58/98/932195898.db2.gz	HAAHHTRMWHMHQK-OAHLLOKOSA-N	1	0	351.472	1.843	20	30		FDEDRO
N#CCc1cc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)ccn1	ZINC001170074887	932333507	/nfs/dbraw/zinc/33/35/07/932333507.db2.gz	LTGFZBXPGLBJRD-UHFFFAOYSA-N	1	0	367.434	1.850	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1	ZINC000787618845	932339640	/nfs/dbraw/zinc/33/96/40/932339640.db2.gz	ZKOLEVWNCCECRV-CQSZACIVSA-N	1	0	374.323	1.884	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C1CCC1	ZINC001114952680	932352988	/nfs/dbraw/zinc/35/29/88/932352988.db2.gz	ZHDBFDRATPYFRA-NMDDUFOESA-N	1	0	359.514	1.894	20	30		FDEDRO
COc1ccc(CNC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C#N	ZINC000746706002	932366104	/nfs/dbraw/zinc/36/61/04/932366104.db2.gz	UFUOPXCXKOOBKX-GASCZTMLSA-N	1	0	360.458	1.865	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NC1COC(C)(C)OC1)C(C)C	ZINC000788443209	932693268	/nfs/dbraw/zinc/69/32/68/932693268.db2.gz	HURBJIULFSLRHN-MRXNPFEDSA-N	1	0	367.490	1.069	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NCC[NH+]2CCC(C)CC2)n1	ZINC000788866146	932842626	/nfs/dbraw/zinc/84/26/26/932842626.db2.gz	CXNQUXWHWDINAU-UHFFFAOYSA-N	1	0	361.490	1.406	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CC[C@@H](OCC[NH+](CC)CC)C2)c1	ZINC000746815266	933047339	/nfs/dbraw/zinc/04/73/39/933047339.db2.gz	YZOJXRHVVMLWHK-GOSISDBHSA-N	1	0	357.454	1.566	20	30		FDEDRO
C#C[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(OC)c1)[C@@H]1CCCO1	ZINC000790501904	933581097	/nfs/dbraw/zinc/58/10/97/933581097.db2.gz	KFXCJACSTIBPAS-OALUTQOASA-N	1	0	359.470	1.949	20	30		FDEDRO
C#C[C@H](CCC)NC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000791020441	933830408	/nfs/dbraw/zinc/83/04/08/933830408.db2.gz	RTOVXOMXYSCCQE-QGZVFWFLSA-N	1	0	358.490	1.480	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccn(CCOC)n2)C1	ZINC001086598795	934006720	/nfs/dbraw/zinc/00/67/20/934006720.db2.gz	CSUBCJWRQXCUMK-PKOBYXMFSA-N	1	0	354.454	1.913	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccc(OC)cc1)C2	ZINC001110094195	934120833	/nfs/dbraw/zinc/12/08/33/934120833.db2.gz	PQFGQRGZIFMMLG-MNEFBYGVSA-N	1	0	360.454	1.998	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCc3nc(C)nn3C2)C1	ZINC001086601510	934125632	/nfs/dbraw/zinc/12/56/32/934125632.db2.gz	ZUEWGAMGQXOVOA-GBESFXJTSA-N	1	0	365.481	1.919	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)[C@H]1CCCO1	ZINC000793911395	938336623	/nfs/dbraw/zinc/33/66/23/938336623.db2.gz	BHKDSPDXQWZAMD-WCXIOVBPSA-N	1	0	363.502	1.156	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2nc(C)ccc2=O)C1	ZINC001086620959	938369157	/nfs/dbraw/zinc/36/91/57/938369157.db2.gz	VJXFEZOUPGYNST-RBUKOAKNSA-N	1	0	364.449	1.159	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2sccc2OC)[C@@H](n2ccnn2)C1	ZINC001129403746	938416786	/nfs/dbraw/zinc/41/67/86/938416786.db2.gz	HKMOYJQUMOGAAG-KGLIPLIRSA-N	1	0	361.471	1.970	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)CCCn2ccnc2)[C@@H](n2ccnn2)C1	ZINC001129476593	938432329	/nfs/dbraw/zinc/43/23/29/938432329.db2.gz	KNFRADFDDGSODG-SJORKVTESA-N	1	0	357.462	1.263	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](OCC)c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129496857	938444437	/nfs/dbraw/zinc/44/44/37/938444437.db2.gz	WNHQCUYXOURQNH-CEXWTWQISA-N	1	0	369.469	1.974	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cnccn2)C[C@@H]1n1ccnn1	ZINC001129533978	938448775	/nfs/dbraw/zinc/44/87/75/938448775.db2.gz	YCAKENIVNMUBEK-SJORKVTESA-N	1	0	355.446	1.470	20	30		FDEDRO
CSCCC(=O)N1C[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@@H](n2ccnn2)C1	ZINC001129552569	938451978	/nfs/dbraw/zinc/45/19/78/938451978.db2.gz	AEDGSPAYDWEVDL-SJORKVTESA-N	1	0	370.482	1.445	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)COC2CCCC2)C[C@@H]1n1ccnn1	ZINC001129623995	938471402	/nfs/dbraw/zinc/47/14/02/938471402.db2.gz	CXDUPHWDPLNHIC-NXHRZFHOSA-N	1	0	361.490	1.934	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CCCOCC)[C@@H](n2ccnn2)C1	ZINC001129656875	938483263	/nfs/dbraw/zinc/48/32/63/938483263.db2.gz	XDDHJKSNAPDZSI-BBWFWOEESA-N	1	0	365.478	1.027	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]([NH2+]CCC2CCCCC2)[C@@H](n2ccnn2)C1	ZINC001129681677	938484215	/nfs/dbraw/zinc/48/42/15/938484215.db2.gz	VUKYQHBUZZQJRQ-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CC/C=C/CC)[C@@H](n2ccnn2)C1	ZINC001129675151	938490097	/nfs/dbraw/zinc/49/00/97/938490097.db2.gz	IYZSIEQFGJQPSK-CYRIWFJWSA-N	1	0	361.490	1.957	20	30		FDEDRO
Cc1ccc(CCC[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2n2ccnn2)cc1	ZINC001129677731	938490747	/nfs/dbraw/zinc/49/07/47/938490747.db2.gz	MKBWDLXTSIMNMM-QRQLOZEOSA-N	1	0	366.469	1.721	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cc2ccon2)C[C@@H]1n1ccnn1	ZINC001129712046	938491724	/nfs/dbraw/zinc/49/17/24/938491724.db2.gz	DFOIQVUTOJFFIK-SJORKVTESA-N	1	0	358.446	1.597	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1n1ccnn1	ZINC001129762493	938503344	/nfs/dbraw/zinc/50/33/44/938503344.db2.gz	MXMZYYIGXNQWTH-XYPHTWIQSA-N	1	0	353.430	1.488	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)cc1	ZINC001129798336	938511028	/nfs/dbraw/zinc/51/10/28/938511028.db2.gz	TZKMPDUQCLGMBB-MOPGFXCFSA-N	1	0	368.481	1.945	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H](OC)C2CC2)C[C@@H]1n1ccnn1	ZINC001129788228	938516204	/nfs/dbraw/zinc/51/62/04/938516204.db2.gz	IUFFFZYOGIBUHU-SQNIBIBYSA-N	1	0	361.490	1.791	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)Cc2cncnc2)C[C@@H]1n1ccnn1	ZINC001129788195	938516255	/nfs/dbraw/zinc/51/62/55/938516255.db2.gz	IEWRRBLUVYSCGL-MSOLQXFVSA-N	1	0	371.489	1.623	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCCO2)[C@@H](n2ccnn2)C1	ZINC001129816895	938521012	/nfs/dbraw/zinc/52/10/12/938521012.db2.gz	MRXLUIASTQMNFC-ZACQAIPSSA-N	1	0	359.474	1.238	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CC/C=C\CCC)[C@@H](n2ccnn2)C1	ZINC001129829952	938523873	/nfs/dbraw/zinc/52/38/73/938523873.db2.gz	QUYGEGYVJRULFH-NGQZUZBJSA-N	1	0	359.474	1.404	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[C@H]2CCCCO2)C[C@@H]1n1ccnn1	ZINC001129849971	938527081	/nfs/dbraw/zinc/52/70/81/938527081.db2.gz	GGTZOQDONIJSRO-IXDOHACOSA-N	1	0	359.474	1.238	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)CCC3)C[C@@H]1n1ccnn1	ZINC001129855965	938528740	/nfs/dbraw/zinc/52/87/40/938528740.db2.gz	SJCBAGIMUNKQFS-ZBFHGGJFSA-N	1	0	355.446	1.042	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]CCOCC2CCC2)[C@@H](n2ccnn2)C1	ZINC001129833921	938533038	/nfs/dbraw/zinc/53/30/38/938533038.db2.gz	JDYGPEWOCYFYOP-MSOLQXFVSA-N	1	0	359.474	1.240	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1	ZINC001086625790	938535552	/nfs/dbraw/zinc/53/55/52/938535552.db2.gz	ZJRYUFKCFPTOKV-DLBZAZTESA-N	1	0	354.454	1.498	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H]([NH2+]CCCOC)[C@@H](n2ccnn2)C1)OCC	ZINC001129878848	938536256	/nfs/dbraw/zinc/53/62/56/938536256.db2.gz	IETTVCBSWUZWOU-IXDOHACOSA-N	1	0	365.478	1.027	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)nc2)[C@@H](n2ccnn2)C1	ZINC001129883948	938538644	/nfs/dbraw/zinc/53/86/44/938538644.db2.gz	ANTROUPFWSSCTG-SJORKVTESA-N	1	0	370.457	1.580	20	30		FDEDRO
C[C@@]1(CNC(=O)C(=O)NCCCCC#N)CC[N@H+](Cc2ccccc2)C1	ZINC000804717927	938540379	/nfs/dbraw/zinc/54/03/79/938540379.db2.gz	NBJUBVRQFWWZBG-FQEVSTJZSA-N	1	0	356.470	1.825	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc3c2COCC3)C[C@@H]1n1ccnn1	ZINC001129890261	938541104	/nfs/dbraw/zinc/54/11/04/938541104.db2.gz	FARGZTVKECNWJA-MOPGFXCFSA-N	1	0	365.437	1.029	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2(CCOC)CC2)C[C@@H]1n1ccnn1	ZINC001129890214	938541233	/nfs/dbraw/zinc/54/12/33/938541233.db2.gz	BPWZKLKMFIVXRW-ZACQAIPSSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnn3c2CCC3)C[C@@H]1n1ccnn1	ZINC001129892264	938542991	/nfs/dbraw/zinc/54/29/91/938542991.db2.gz	OTKDXPILRQBGBY-KYJSFNMBSA-N	1	0	369.473	1.431	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CC=CCC2)C[C@@H]1n1ccnn1	ZINC001129871154	938544871	/nfs/dbraw/zinc/54/48/71/938544871.db2.gz	DYPMPNYANOSVAL-AOIWGVFYSA-N	1	0	359.474	1.569	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccnn2[C@H](C)CC)C[C@@H]1n1ccnn1	ZINC001129876189	938546503	/nfs/dbraw/zinc/54/65/03/938546503.db2.gz	DWSYWUSNCCRQGG-INMHGKMJSA-N	1	0	355.446	1.124	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C/C=C/c2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001129907212	938549312	/nfs/dbraw/zinc/54/93/12/938549312.db2.gz	XHZFLEFOPLHASP-ZGQVYYGYSA-N	1	0	353.401	1.495	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnoc2-c2ccco2)C[C@@H]1n1ccnn1	ZINC001129914865	938552776	/nfs/dbraw/zinc/55/27/76/938552776.db2.gz	KUDCRHDBPPMMDX-CABCVRRESA-N	1	0	366.381	1.205	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnc3ccccn23)C[C@@H]1n1ccnn1	ZINC001129916871	938553866	/nfs/dbraw/zinc/55/38/66/938553866.db2.gz	GKLQZMSMHOKDQR-WBVHZDCISA-N	1	0	365.441	1.547	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ncc(C)cc2OC)C[C@@H]1n1ccnn1	ZINC001129895898	938557416	/nfs/dbraw/zinc/55/74/16/938557416.db2.gz	LOLFJYLFDXIRJX-CVEARBPZSA-N	1	0	370.457	1.612	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2nccc3ccsc32)C[C@@H]1n1ccnn1	ZINC001129897864	938558573	/nfs/dbraw/zinc/55/85/73/938558573.db2.gz	KVGKXRHUURAYCG-CABCVRRESA-N	1	0	366.450	1.566	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c(C)cncc2C)C[C@@H]1n1ccnn1	ZINC001129936812	938564211	/nfs/dbraw/zinc/56/42/11/938564211.db2.gz	QTZKUFSKYIGSPJ-SJORKVTESA-N	1	0	354.458	1.911	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccnc2C2CC2)C[C@@H]1n1ccnn1	ZINC001129923843	938569764	/nfs/dbraw/zinc/56/97/64/938569764.db2.gz	ZTDQFXMBTLHJPR-SJORKVTESA-N	1	0	352.442	1.782	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cncc3[nH]ccc32)C[C@@H]1n1ccnn1	ZINC001129924801	938570288	/nfs/dbraw/zinc/57/02/88/938570288.db2.gz	JSRWGVTUWBMVBA-SJORKVTESA-N	1	0	351.414	1.386	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cncc3[nH]ccc32)C[C@@H]1n1ccnn1	ZINC001129924637	938570362	/nfs/dbraw/zinc/57/03/62/938570362.db2.gz	DBGLWCQFZPHTHT-MSOLQXFVSA-N	1	0	365.441	1.776	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)(C)C)on2)C[C@@H]1n1ccnn1	ZINC001129930460	938573108	/nfs/dbraw/zinc/57/31/08/938573108.db2.gz	IOELRKMZNNDLBR-CABCVRRESA-N	1	0	356.430	1.242	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c(C)nn(C)c2C)C[C@@H]1n1ccnn1	ZINC001129949126	938574087	/nfs/dbraw/zinc/57/40/87/938574087.db2.gz	QFIVMJKFPFBVER-CVEARBPZSA-N	1	0	357.462	1.250	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)CCn2ccnc2)C[C@@H]1n1ccnn1	ZINC001129952143	938575236	/nfs/dbraw/zinc/57/52/36/938575236.db2.gz	JQTLMHZRRVEPKP-MSOLQXFVSA-N	1	0	371.489	1.653	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cncc(OC(C)C)c2)C[C@@H]1n1ccnn1	ZINC001129956419	938577277	/nfs/dbraw/zinc/57/72/77/938577277.db2.gz	IFQWHJCZKZFLCZ-MSOLQXFVSA-N	1	0	370.457	1.692	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2ccc(C)n2)C[C@@H]1n1ccnn1	ZINC001129963904	938579477	/nfs/dbraw/zinc/57/94/77/938579477.db2.gz	LMHCULMFYSKWRW-KSZLIROESA-N	1	0	371.489	1.742	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H]([NH2+]CCC2CC2)[C@@H](n2ccnn2)C1	ZINC001129945097	938580407	/nfs/dbraw/zinc/58/04/07/938580407.db2.gz	CFMLZRQCZYAEGQ-ZIFCJYIRSA-N	1	0	361.490	1.649	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccccc2N(C)CC)CC1	ZINC000804832768	938590211	/nfs/dbraw/zinc/59/02/11/938590211.db2.gz	VBMYYRINGMXWDG-UHFFFAOYSA-N	1	0	372.513	1.916	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CCC)c2ccccn2)C[C@@H]1n1ccnn1	ZINC001129983195	938598070	/nfs/dbraw/zinc/59/80/70/938598070.db2.gz	QXDIUFLFLVCDSK-UHOSZYNNSA-N	1	0	366.469	1.622	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H]([NH2+]CCCOCC)[C@@H](n3ccnn3)C2)CC1	ZINC001129994486	938603314	/nfs/dbraw/zinc/60/33/14/938603314.db2.gz	QOTJWMZJWCDESZ-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]([NH2+]CCn3cccn3)[C@@H](n3ccnn3)C2)CCC1	ZINC001129994381	938603385	/nfs/dbraw/zinc/60/33/85/938603385.db2.gz	KUFVJUIWLQXCFF-SJORKVTESA-N	1	0	369.473	1.263	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]([NH2+]CCCC(C)C)[C@@H](n3ccnn3)C2)c1	ZINC001129997449	938605607	/nfs/dbraw/zinc/60/56/07/938605607.db2.gz	MUMYSUPAEGLXNX-MOPGFXCFSA-N	1	0	366.469	1.746	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(C)(C)C2)C[C@@H]1n1ccnn1	ZINC001129997357	938605650	/nfs/dbraw/zinc/60/56/50/938605650.db2.gz	JGKLNQWFKDEUOV-ZACQAIPSSA-N	1	0	359.474	1.096	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(CO)cc2)[C@@H](n2ccnn2)C1	ZINC001129986509	938609714	/nfs/dbraw/zinc/60/97/14/938609714.db2.gz	DCMSPKUJOGUYKG-MOPGFXCFSA-N	1	0	369.469	1.668	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]([NH2+]Cc2scnc2C)[C@@H](n2ccnn2)C1	ZINC001129986791	938610101	/nfs/dbraw/zinc/61/01/01/938610101.db2.gz	MIYJQUSGWIZIRI-CABCVRRESA-N	1	0	360.487	1.941	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]([NH2+]CCOCC(F)F)[C@@H](n2ccnn2)C1	ZINC001129986935	938610351	/nfs/dbraw/zinc/61/03/51/938610351.db2.gz	RLLXATOULSENDD-KGLIPLIRSA-N	1	0	357.405	1.258	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2c(C)cc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001129990262	938612545	/nfs/dbraw/zinc/61/25/45/938612545.db2.gz	UYBQKZFIPQLGLO-UXHICEINSA-N	1	0	365.481	1.811	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnoc2CC)C[C@@H]1n1ccnn1	ZINC001130023852	938617139	/nfs/dbraw/zinc/61/71/39/938617139.db2.gz	BEKGUASBRADPRK-BMFZPTHFSA-N	1	0	358.446	1.839	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCc2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001130020457	938619257	/nfs/dbraw/zinc/61/92/57/938619257.db2.gz	HWBZAOUZTQRMOA-MSOLQXFVSA-N	1	0	355.417	1.415	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cn(CC)nc2C(C)C)C[C@@H]1n1ccnn1	ZINC001130022666	938620598	/nfs/dbraw/zinc/62/05/98/938620598.db2.gz	HTIDVRQFRAKJFG-SJORKVTESA-N	1	0	369.473	1.297	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccn(C(C)C)n2)C[C@@H]1n1ccnn1	ZINC001130023135	938621283	/nfs/dbraw/zinc/62/12/83/938621283.db2.gz	XFNCQBGLOBZLDY-SJORKVTESA-N	1	0	357.462	1.677	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H]([NH2+]Cc2cnn(C)c2)[C@@H](n2ccnn2)C1	ZINC001130022987	938621346	/nfs/dbraw/zinc/62/13/46/938621346.db2.gz	SDVIIHDTSXLGFS-CVEARBPZSA-N	1	0	357.462	1.156	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCCCO2)C[C@@H]1n1ccnn1	ZINC001130026442	938629422	/nfs/dbraw/zinc/62/94/22/938629422.db2.gz	QINNABRIYFUENS-KSZLIROESA-N	1	0	361.490	1.935	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](CCC)C(C)C)C[C@@H]1n1ccnn1	ZINC001130026667	938629428	/nfs/dbraw/zinc/62/94/28/938629428.db2.gz	YKMQHNRLCAOCLY-KURKYZTESA-N	1	0	363.506	1.895	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2oc(CC(C)C)nc2C)C[C@@H]1n1ccnn1	ZINC001130032650	938633400	/nfs/dbraw/zinc/63/34/00/938633400.db2.gz	LTPSHCOSXDGFDH-CVEARBPZSA-N	1	0	370.457	1.452	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)nc2OC)C[C@@H]1n1ccnn1	ZINC001130032815	938633687	/nfs/dbraw/zinc/63/36/87/938633687.db2.gz	NOOAVLPNVWTMKJ-CVEARBPZSA-N	1	0	356.430	1.222	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cn(CCC=C)nn2)C[C@@H]1n1ccnn1	ZINC001130034384	938634623	/nfs/dbraw/zinc/63/46/23/938634623.db2.gz	NPXKUNRSPNXSPY-WBVHZDCISA-N	1	0	370.461	1.067	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2ncccn2)C[C@@H]1n1ccnn1	ZINC001130047657	938646837	/nfs/dbraw/zinc/64/68/37/938646837.db2.gz	MQFQCTNFCIGOIY-BBWFWOEESA-N	1	0	369.473	1.397	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc3ccncc32)C[C@@H]1n1ccnn1	ZINC001130065653	938653240	/nfs/dbraw/zinc/65/32/40/938653240.db2.gz	NANUKVHFQYTLPP-MOPGFXCFSA-N	1	0	360.421	1.505	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3c([nH]2)CCCC3)C[C@@H]1n1ccnn1	ZINC001130074844	938669108	/nfs/dbraw/zinc/66/91/08/938669108.db2.gz	HPYBPPVLVDEIFK-MSOLQXFVSA-N	1	0	352.442	1.164	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]C[C@@H](C)CC)[C@@H](n3ccnn3)C2)cn1	ZINC001130091263	938676368	/nfs/dbraw/zinc/67/63/68/938676368.db2.gz	ISOPUVGHCZKRJE-QGTPRVQTSA-N	1	0	352.442	1.356	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]C[C@H](F)CC)[C@@H](n3ccnn3)C2)cn1	ZINC001130091401	938676660	/nfs/dbraw/zinc/67/66/60/938676660.db2.gz	QITMMTIBDNALQX-OIISXLGYSA-N	1	0	356.405	1.058	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001130091357	938676715	/nfs/dbraw/zinc/67/67/15/938676715.db2.gz	OHBIZRNVBUXPCS-MOPGFXCFSA-N	1	0	365.481	1.929	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)csc2Cl)C[C@@H]1n1ccnn1	ZINC001130104934	938685639	/nfs/dbraw/zinc/68/56/39/938685639.db2.gz	CHHVZARKWQUVSQ-OLZOCXBDSA-N	1	0	363.874	1.980	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cccnc2OCC)C[C@@H]1n1ccnn1	ZINC001130109959	938688697	/nfs/dbraw/zinc/68/86/97/938688697.db2.gz	MXMMGIWYEWRDEZ-SJORKVTESA-N	1	0	370.457	1.693	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]([NH2+]CCCC)[C@@H](n2ccnn2)C1	ZINC001130110201	938689263	/nfs/dbraw/zinc/68/92/63/938689263.db2.gz	ZSOSJPBLNFSRLP-MOPGFXCFSA-N	1	0	351.454	1.644	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3ccccc32)C[C@@H]1n1ccnn1	ZINC001130112385	938691143	/nfs/dbraw/zinc/69/11/43/938691143.db2.gz	WMDDLGGAHGWGEN-SJORKVTESA-N	1	0	365.441	1.776	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cn3ccccc3n2)C[C@@H]1n1ccnn1	ZINC001130112516	938692011	/nfs/dbraw/zinc/69/20/11/938692011.db2.gz	DBOQTECEVJWNSK-WBVHZDCISA-N	1	0	365.441	1.547	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COc2ccc(CC)cc2)C[C@@H]1n1ccnn1	ZINC001130112813	938692671	/nfs/dbraw/zinc/69/26/71/938692671.db2.gz	SLSGEIDQNJTENO-MOPGFXCFSA-N	1	0	369.469	1.837	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2sccc2C2CC2)C[C@@H]1n1ccnn1	ZINC001130115141	938694662	/nfs/dbraw/zinc/69/46/62/938694662.db2.gz	WCOWMDYSROIHSE-CVEARBPZSA-N	1	0	355.467	1.896	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCOc2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001130125246	938696011	/nfs/dbraw/zinc/69/60/11/938696011.db2.gz	DMDWLCOZQJYHIQ-MSOLQXFVSA-N	1	0	355.442	1.583	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2csc3nccn23)C[C@@H]1n1ccnn1	ZINC001130125167	938696056	/nfs/dbraw/zinc/69/60/56/938696056.db2.gz	BGZDYXHIHFHTLX-CABCVRRESA-N	1	0	371.470	1.148	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)COc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130125410	938696157	/nfs/dbraw/zinc/69/61/57/938696157.db2.gz	MJCJXVUCFWWASE-QRQLOZEOSA-N	1	0	367.453	1.358	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cccnc2N(C)C)C[C@@H]1n1ccnn1	ZINC001130121681	938704408	/nfs/dbraw/zinc/70/44/08/938704408.db2.gz	YOKVFADHDVRKMH-SJORKVTESA-N	1	0	369.473	1.361	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2COc3ccccc32)C[C@@H]1n1ccnn1	ZINC001130150807	938715358	/nfs/dbraw/zinc/71/53/58/938715358.db2.gz	AIAWEXLOUNZPBW-BBWFWOEESA-N	1	0	353.426	1.372	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cnccc2C)[C@@H](n2ccnn2)C1	ZINC001130151021	938715371	/nfs/dbraw/zinc/71/53/71/938715371.db2.gz	GCZVMGVZKXPEIG-JQHSSLGASA-N	1	0	370.457	1.114	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]([NH2+]C[C@H](C)CC(C)C)[C@@H](n2ccnn2)C1	ZINC001130151347	938715998	/nfs/dbraw/zinc/71/59/98/938715998.db2.gz	NDDIXXIHYNZRIP-KURKYZTESA-N	1	0	363.506	1.895	20	30		FDEDRO
C#CC[C@H](CC(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1)c1ccccc1	ZINC001130158394	938719764	/nfs/dbraw/zinc/71/97/64/938719764.db2.gz	HQYBQAOHKVWJIZ-QRVBRYPASA-N	1	0	369.444	1.786	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCc3ccccc32)C[C@@H]1n1ccnn1	ZINC001130158576	938720194	/nfs/dbraw/zinc/72/01/94/938720194.db2.gz	MAHCEEAXPMOWKL-DYXWJJEUSA-N	1	0	363.465	1.547	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cnn(C)c2)C[C@@H]1n1ccnn1	ZINC001130160988	938721392	/nfs/dbraw/zinc/72/13/92/938721392.db2.gz	LFRDRZNKUGYMLA-OIISXLGYSA-N	1	0	357.462	1.123	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)(F)F)n1	ZINC001130179388	938726795	/nfs/dbraw/zinc/72/67/95/938726795.db2.gz	FDLFQTMUYCSVMM-UWVGGRQHSA-N	1	0	363.796	1.291	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccc(F)c2)[nH]1	ZINC001130181742	938728684	/nfs/dbraw/zinc/72/86/84/938728684.db2.gz	SSWYFZPRFUKDMI-GJZGRUSLSA-N	1	0	359.405	1.522	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)SC)[nH]1	ZINC001130187749	938733937	/nfs/dbraw/zinc/73/39/37/938733937.db2.gz	HIBGDSFRNFGKHN-AVGNSLFASA-N	1	0	353.492	1.211	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)OCC)[nH]1	ZINC001130188037	938734443	/nfs/dbraw/zinc/73/44/43/938734443.db2.gz	WGIGJYGNIUAXRC-ILXRZTDVSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](CC)OC)[nH]1	ZINC001130193089	938737324	/nfs/dbraw/zinc/73/73/24/938737324.db2.gz	HYOPOMPFVNHMDH-ZNMIVQPWSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=CCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCCOC)[nH]1	ZINC001130193021	938737375	/nfs/dbraw/zinc/73/73/75/938737375.db2.gz	FKTUJJBEOCPJAK-GJZGRUSLSA-N	1	0	365.478	1.276	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCOCC)n1	ZINC001130193170	938737859	/nfs/dbraw/zinc/73/78/59/938737859.db2.gz	LINBHCIEXKXZCY-STQMWFEESA-N	1	0	371.869	1.062	20	30		FDEDRO
C=CCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC(=C)Cl)n[nH]1	ZINC001130193401	938738069	/nfs/dbraw/zinc/73/80/69/938738069.db2.gz	VZELGFCBLQKRAS-STQMWFEESA-N	1	0	353.854	1.602	20	30		FDEDRO
CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C#N)c[nH]2)[nH]1	ZINC001130195854	938738617	/nfs/dbraw/zinc/73/86/17/938738617.db2.gz	GDSVADWIWMBRLA-ZFWWWQNUSA-N	1	0	371.445	1.053	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC2=CCCCC2)n1	ZINC001130195760	938738724	/nfs/dbraw/zinc/73/87/24/938738724.db2.gz	BEYUPMRBHKTRJA-HOTGVXAUSA-N	1	0	357.458	1.407	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ocnc2C)[nH]1	ZINC001130198220	938740032	/nfs/dbraw/zinc/74/00/32/938740032.db2.gz	AKXUWFXEQRLVFS-STQMWFEESA-N	1	0	360.418	1.069	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CC(C)(C)C2)[nH]1	ZINC001130207928	938747360	/nfs/dbraw/zinc/74/73/60/938747360.db2.gz	WTWCFWXGESJESQ-GJZGRUSLSA-N	1	0	359.474	1.343	20	30		FDEDRO
C#CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC[C@@H](C)F)[nH]1	ZINC001130209713	938747912	/nfs/dbraw/zinc/74/79/12/938747912.db2.gz	LMVMJXADOXQZLI-ILXRZTDVSA-N	1	0	365.453	1.435	20	30		FDEDRO
CC/C=C/CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C#CC2CC2)[nH]1	ZINC001130212949	938750011	/nfs/dbraw/zinc/75/00/11/938750011.db2.gz	MJLGCQMCQBMJNS-RYTMFUSVSA-N	1	0	371.485	1.653	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)(C)CC(F)F)n1	ZINC001130215968	938752303	/nfs/dbraw/zinc/75/23/03/938752303.db2.gz	KHYOXTDKOMEUAW-RYUDHWBXSA-N	1	0	369.416	1.198	20	30		FDEDRO
C#CCC1(C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]C(C)C)[nH]2)CCC1	ZINC001130216375	938752658	/nfs/dbraw/zinc/75/26/58/938752658.db2.gz	VHXUMDZRRLMAHB-GJZGRUSLSA-N	1	0	359.474	1.485	20	30		FDEDRO
C=C(C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@H](C)COC)[nH]1	ZINC001130216313	938752772	/nfs/dbraw/zinc/75/27/72/938752772.db2.gz	SVAARRLGONILMN-ILXRZTDVSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=CC(C)(C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1	ZINC001130216469	938753024	/nfs/dbraw/zinc/75/30/24/938753024.db2.gz	YBINBTXYAQKGIS-STQMWFEESA-N	1	0	353.442	1.455	20	30		FDEDRO
CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C#N)[nH]2)[nH]1	ZINC001130200536	938754221	/nfs/dbraw/zinc/75/42/21/938754221.db2.gz	OWLLMYTUDHHSAG-ZFWWWQNUSA-N	1	0	371.445	1.197	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCCC(C)(C)C)n1	ZINC001130202747	938755183	/nfs/dbraw/zinc/75/51/83/938755183.db2.gz	IRSXTWQRWJHIKU-GJZGRUSLSA-N	1	0	361.490	1.733	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)C2CCC2)n1	ZINC001130221138	938756662	/nfs/dbraw/zinc/75/66/62/938756662.db2.gz	WGQAAVOVNXOVII-BPUTZDHNSA-N	1	0	359.474	1.343	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C)co2)n1	ZINC001130230136	938763617	/nfs/dbraw/zinc/76/36/17/938763617.db2.gz	NVMWQUAYKNUJHB-ZFWWWQNUSA-N	1	0	357.414	1.122	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCC2(C)C)[nH]1	ZINC001130230505	938764213	/nfs/dbraw/zinc/76/42/13/938764213.db2.gz	YEKFGGVMUWIVBY-KKUMJFAQSA-N	1	0	359.474	1.343	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)c2ccco2)[nH]1	ZINC001130238201	938767828	/nfs/dbraw/zinc/76/78/28/938767828.db2.gz	YPFNGAUQEGLTSI-DZKIICNBSA-N	1	0	371.441	1.303	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CCC=CCC2)[nH]1	ZINC001130249035	938773214	/nfs/dbraw/zinc/77/32/14/938773214.db2.gz	GNBNUZUGQLVMFP-HOTGVXAUSA-N	1	0	359.474	1.815	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CCC=CCC2)n1	ZINC001130249138	938773218	/nfs/dbraw/zinc/77/32/18/938773218.db2.gz	LPSYKTLEHGWVCQ-IRXDYDNUSA-N	1	0	371.485	1.653	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H](C)C2CC2)[nH]1	ZINC001130251518	938774763	/nfs/dbraw/zinc/77/47/63/938774763.db2.gz	YSILVSWCWRYZTN-BPUTZDHNSA-N	1	0	361.490	1.895	20	30		FDEDRO
C=CCOCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(C)(C)F)CC1	ZINC001130264905	938781918	/nfs/dbraw/zinc/78/19/18/938781918.db2.gz	SOKULHBVMBYOTF-WBVHZDCISA-N	1	0	369.481	1.413	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CC=CC[C@H]2C(F)(F)F)C1=O	ZINC001130271294	938784923	/nfs/dbraw/zinc/78/49/23/938784923.db2.gz	SSRRBTFTTRUMTF-MGPQQGTHSA-N	1	0	359.392	1.624	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)/C=C/c2ccco2)CC1	ZINC001130271641	938785516	/nfs/dbraw/zinc/78/55/16/938785516.db2.gz	LEMALFSRDYTJQO-GLCUETTDSA-N	1	0	369.465	1.792	20	30		FDEDRO
N#CCSCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCF)CC1	ZINC001130274367	938786441	/nfs/dbraw/zinc/78/64/41/938786441.db2.gz	KGJVKGDKFVSQSV-PBHICJAKSA-N	1	0	370.494	1.078	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)OCCCC)CC1	ZINC001130276756	938787798	/nfs/dbraw/zinc/78/77/98/938787798.db2.gz	OJHSEVKBLPVLAL-SUMDDJOVSA-N	1	0	363.502	1.300	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCC(=C)C)CC1	ZINC001130278775	938788819	/nfs/dbraw/zinc/78/88/19/938788819.db2.gz	BOJBGCBJAZMIEI-XLIONFOSSA-N	1	0	363.502	1.631	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C/C=C/Cl)CC1	ZINC001130278861	938789027	/nfs/dbraw/zinc/78/90/27/938789027.db2.gz	HSIMFAZKXODJOD-FQTAWFPPSA-N	1	0	369.893	1.417	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCC)CC1	ZINC001130279047	938789383	/nfs/dbraw/zinc/78/93/83/938789383.db2.gz	RCYSKCAUMYUJNT-APWZRJJASA-N	1	0	351.491	1.465	20	30		FDEDRO
CC(C)(C)C#CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCF)CC1	ZINC001130290830	938795399	/nfs/dbraw/zinc/79/53/99/938795399.db2.gz	MVFUAPOSPNFSII-APWZRJJASA-N	1	0	365.493	1.871	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+]([C@@H](C)COC)CC1	ZINC001130291135	938795877	/nfs/dbraw/zinc/79/58/77/938795877.db2.gz	YOVQSJYNABRNLT-VPWXQRGCSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCOC)CC1	ZINC001130299113	938799606	/nfs/dbraw/zinc/79/96/06/938799606.db2.gz	XVTPJMAZQQYSGU-APWZRJJASA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@H](C)O)CC1	ZINC001130305376	938803681	/nfs/dbraw/zinc/80/36/81/938803681.db2.gz	WXAQUVLLNNQMPG-LESCRADOSA-N	1	0	365.518	1.445	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)CCOC)CC1	ZINC001130306877	938804790	/nfs/dbraw/zinc/80/47/90/938804790.db2.gz	BXEMXFCUHKUSDO-WDYCEAGBSA-N	1	0	365.518	1.711	20	30		FDEDRO
C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3ccc(C#N)nn3)cc2)CC1	ZINC001170486550	938809053	/nfs/dbraw/zinc/80/90/53/938809053.db2.gz	RUOCAAJFJCYFDY-WLYUNCDWSA-N	1	0	350.426	1.720	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccncc1	ZINC000805810204	938830510	/nfs/dbraw/zinc/83/05/10/938830510.db2.gz	FZNUEKYXNCKYBG-JZXOWHBKSA-N	1	0	374.485	1.431	20	30		FDEDRO
CCC[C@@H]1C[C@H]1C(=O)NCc1c[nH]nc1[C@@H]1CC[N@H+](CC#CCOC)C1	ZINC001130419932	938848503	/nfs/dbraw/zinc/84/85/03/938848503.db2.gz	HZUJGMUZBXUXDR-JFIYKMOQSA-N	1	0	358.486	1.901	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc[n+]([O-])cc3)C2)c1	ZINC001086637429	938865339	/nfs/dbraw/zinc/86/53/39/938865339.db2.gz	GZNRTIMSBQQCCV-PKOBYXMFSA-N	1	0	350.422	1.880	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2ccccc2C)C[C@H]1c1cn(C)cn1	ZINC001130480400	938875218	/nfs/dbraw/zinc/87/52/18/938875218.db2.gz	LVYWKOGBHSGCRV-AZUAARDMSA-N	1	0	366.465	1.576	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2C=CCC2)C[C@H]1c1cn(C)cn1	ZINC001130488370	938880305	/nfs/dbraw/zinc/88/03/05/938880305.db2.gz	UAJCUIXJELYUEP-ZIFCJYIRSA-N	1	0	358.486	1.863	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC=CCC2)C[C@H]1c1cn(C)cn1	ZINC001130500194	938883707	/nfs/dbraw/zinc/88/37/07/938883707.db2.gz	BATHMZLTUIRETO-ZIFCJYIRSA-N	1	0	356.470	1.310	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)/C=C(/C)C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130513424	938893086	/nfs/dbraw/zinc/89/30/86/938893086.db2.gz	WHKNVZOZAIVSPS-PDUYLLJLSA-N	1	0	356.470	1.310	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOCC2CCC2)C1	ZINC001130532023	938900758	/nfs/dbraw/zinc/90/07/58/938900758.db2.gz	QDBLFUFTXBZIDF-QILLFSRXSA-N	1	0	359.474	1.280	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC[C@H]2CCCO2)C1	ZINC001130578607	939891709	/nfs/dbraw/zinc/89/17/09/939891709.db2.gz	VNAMRMWZJIKVKC-ZIFCJYIRSA-N	1	0	358.486	1.677	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccnn2C(C)C)C[C@H]1c1cn(C)cn1	ZINC001130599208	939905000	/nfs/dbraw/zinc/90/50/00/939905000.db2.gz	NIZBQNNNJHKAFE-DOTOQJQBSA-N	1	0	356.474	1.971	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2ccnn2C)C[C@H]1c1cn(C)cn1	ZINC001130599354	939905048	/nfs/dbraw/zinc/90/50/48/939905048.db2.gz	OWFOZTRFFJXCKG-PKOBYXMFSA-N	1	0	370.501	1.637	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc3cc[nH]c3n2)C[C@H]1c1cn(C)cn1	ZINC001130611798	939909685	/nfs/dbraw/zinc/90/96/85/939909685.db2.gz	HKQXSUFHWHUVER-MAUKXSAKSA-N	1	0	362.437	1.518	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc3n[nH]cc3c2)C[C@H]1c1cn(C)cn1	ZINC001130615450	939912814	/nfs/dbraw/zinc/91/28/14/939912814.db2.gz	QUHZDCRJPVDKNL-DOTOQJQBSA-N	1	0	365.441	1.465	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H]1c1cn(C)cn1	ZINC001130623854	939921972	/nfs/dbraw/zinc/92/19/72/939921972.db2.gz	KEOQMYVARSHECK-MAUKXSAKSA-N	1	0	368.485	1.796	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cncc2C)C[C@H]1c1cn(C)cn1	ZINC001130626332	939924122	/nfs/dbraw/zinc/92/41/22/939924122.db2.gz	JEOZUTLMPVHFKC-VDZJLULYSA-N	1	0	370.501	1.864	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ncnc3[nH]ccc32)C[C@H]1c1cn(C)cn1	ZINC001130621756	939931266	/nfs/dbraw/zinc/93/12/66/939931266.db2.gz	CPDAZECPHBZHLE-GOEBONIOSA-N	1	0	365.441	1.417	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccnc(OC)c2)C[C@H]1c1cn(C)cn1	ZINC001130621768	939931376	/nfs/dbraw/zinc/93/13/76/939931376.db2.gz	DAYVGPBIMFHVKO-DOTOQJQBSA-N	1	0	353.426	1.045	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2sc(C)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130632789	939936303	/nfs/dbraw/zinc/93/63/03/939936303.db2.gz	QNWVGHWEJCIRRQ-DOTOQJQBSA-N	1	0	371.510	1.643	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@H]1c1cn(C)cn1	ZINC001130649483	939944613	/nfs/dbraw/zinc/94/46/13/939944613.db2.gz	OTABPXGLVAVDKV-WAXPSYRMSA-N	1	0	356.470	1.000	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1C#N	ZINC000806503840	939947242	/nfs/dbraw/zinc/94/72/42/939947242.db2.gz	UULPISQHDSKOPK-CVEARBPZSA-N	1	0	358.442	1.172	20	30		FDEDRO
CCC1(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC#CCOC)C2)CCC1	ZINC001130642239	939949799	/nfs/dbraw/zinc/94/97/99/939949799.db2.gz	GVUYLKOXWUMEDY-FUHWJXTLSA-N	1	0	358.486	1.534	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2cccc(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130656129	939960339	/nfs/dbraw/zinc/96/03/39/939960339.db2.gz	AOVUBKAELZRTLN-AZUAARDMSA-N	1	0	350.466	1.879	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130659117	939965136	/nfs/dbraw/zinc/96/51/36/939965136.db2.gz	FFMCUWMHGZHSIK-DZGCQCFKSA-N	1	0	358.446	1.023	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1c1cn(C)cn1	ZINC001130674825	939972702	/nfs/dbraw/zinc/97/27/02/939972702.db2.gz	DSZNPIPQPMXRPN-DOTOQJQBSA-N	1	0	357.462	1.021	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)NC(C)=O)C[C@H]1c1cn(C)cn1	ZINC001130685245	939974951	/nfs/dbraw/zinc/97/49/51/939974951.db2.gz	KOGVJEONMQVAHB-XYJFISCASA-N	1	0	361.490	1.185	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCCCO2)C[C@H]1c1cn(C)cn1	ZINC001130687975	939978201	/nfs/dbraw/zinc/97/82/01/939978201.db2.gz	ZOTCHOXQMWUYOB-ZIFCJYIRSA-N	1	0	358.486	1.677	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2sc(CC)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130692548	939981269	/nfs/dbraw/zinc/98/12/69/939981269.db2.gz	QAOVGVTXBPOKRS-GOEBONIOSA-N	1	0	371.510	1.969	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccnn2C)C1	ZINC001130683056	939982958	/nfs/dbraw/zinc/98/29/58/939982958.db2.gz	VYHGERUVZDXBRD-FUHWJXTLSA-N	1	0	370.501	1.840	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc(OC)n2)C[C@H]1c1cn(C)cn1	ZINC001130704620	939985438	/nfs/dbraw/zinc/98/54/38/939985438.db2.gz	WZSCHPVNFMOSQN-WMLDXEAASA-N	1	0	353.426	1.045	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ncoc2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130706539	939988353	/nfs/dbraw/zinc/98/83/53/939988353.db2.gz	LEMCNGGVJLPIJO-GOEBONIOSA-N	1	0	353.426	1.507	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(CC)c[nH]c2=O)C[C@H]1c1cn(C)cn1	ZINC001130706711	939988685	/nfs/dbraw/zinc/98/86/85/939988685.db2.gz	URJKOFVWCARJAP-FUHWJXTLSA-N	1	0	367.453	1.304	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)COCc2ccncc2)C[C@H]1c1cn(C)cn1	ZINC001130701156	939996313	/nfs/dbraw/zinc/99/63/13/939996313.db2.gz	NUHVQOGGKLPKAY-PKOBYXMFSA-N	1	0	369.469	1.492	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn(C(F)F)c2)C[C@H]1c1cn(C)cn1	ZINC001130701372	939996764	/nfs/dbraw/zinc/99/67/64/939996764.db2.gz	RTTPVKRSEFIRKU-DZGCQCFKSA-N	1	0	362.384	1.233	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2oc(CCC)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130710156	939998053	/nfs/dbraw/zinc/99/80/53/939998053.db2.gz	OXGHGFLIOIPEPE-DOTOQJQBSA-N	1	0	369.469	1.890	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]C[C@H](C)OC)C2)nc1	ZINC001130714495	940005983	/nfs/dbraw/zinc/00/59/83/940005983.db2.gz	BFRQGQQXGQERIL-URLQWDBASA-N	1	0	367.453	1.029	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]C[C@H](C)OC)C2)cn1	ZINC001130714842	940006699	/nfs/dbraw/zinc/00/66/99/940006699.db2.gz	LOURNWVEXKNXJG-UCLAIMLFSA-N	1	0	367.453	1.029	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCC(=O)NCCC)C[C@H]1c1cn(C)cn1	ZINC001130714806	940006858	/nfs/dbraw/zinc/00/68/58/940006858.db2.gz	KDUXUFBMRSQVHK-DOTOQJQBSA-N	1	0	361.490	1.187	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](OC)c2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130715087	940007141	/nfs/dbraw/zinc/00/71/41/940007141.db2.gz	SJWSWKNWHXLTMO-DFQSSKMNSA-N	1	0	366.465	1.715	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)Cc2ccc[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130728561	940017114	/nfs/dbraw/zinc/01/71/14/940017114.db2.gz	GPYCJIAQPUQPIZ-FUHWJXTLSA-N	1	0	357.458	1.078	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3ccccc32)C[C@H]1c1cn(C)cn1	ZINC001130721681	940025459	/nfs/dbraw/zinc/02/54/59/940025459.db2.gz	OIRILUGNJYADRS-MAUKXSAKSA-N	1	0	362.437	1.518	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COc2ccccc2C)C[C@H]1c1cn(C)cn1	ZINC001130721890	940025899	/nfs/dbraw/zinc/02/58/99/940025899.db2.gz	UZOMPSOYAJKWIA-PKOBYXMFSA-N	1	0	366.465	1.715	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C[C@H]1c1cn(C)cn1	ZINC001130736794	940037820	/nfs/dbraw/zinc/03/78/20/940037820.db2.gz	OKPUOWLLCUPJKM-MSOJEZNZSA-N	1	0	352.482	1.620	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCCn2ccnc2)C[C@H]1c1cn(C)cn1	ZINC001130739571	940041135	/nfs/dbraw/zinc/04/11/35/940041135.db2.gz	GIXJPBIBQAEITL-FUHWJXTLSA-N	1	0	354.458	1.004	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCCCC(=O)NC)C[C@H]1c1cn(C)cn1	ZINC001130739938	940042119	/nfs/dbraw/zinc/04/21/19/940042119.db2.gz	WLDKJYKXWPTJCB-DOTOQJQBSA-N	1	0	361.490	1.187	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2nn(CC)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130742049	940046492	/nfs/dbraw/zinc/04/64/92/940046492.db2.gz	XLLYNCOHQAPWHD-GOEBONIOSA-N	1	0	357.462	1.114	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cccnc3)n2)O1	ZINC001130744980	940049046	/nfs/dbraw/zinc/04/90/46/940049046.db2.gz	OTNNLGWPHDSQMO-JKSUJKDBSA-N	1	0	370.457	1.906	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cnccn3)n2)O1	ZINC001130749309	940055110	/nfs/dbraw/zinc/05/51/10/940055110.db2.gz	DUFOFDLGJZGZRE-DZGCQCFKSA-N	1	0	371.445	1.301	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cnn(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130749397	940056806	/nfs/dbraw/zinc/05/68/06/940056806.db2.gz	GNIDUIAGJRILJS-VDZJLULYSA-N	1	0	370.501	1.808	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccccc3C)n2)O1	ZINC001130749807	940057076	/nfs/dbraw/zinc/05/70/76/940057076.db2.gz	RJZCXPNSWOWNMT-DOTOQJQBSA-N	1	0	367.453	1.876	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCCCOC)n2)O1	ZINC001130761813	940068530	/nfs/dbraw/zinc/06/85/30/940068530.db2.gz	GRJDLTGOMBRZCK-LSDHHAIUSA-N	1	0	365.478	1.623	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)OCCCC)n2)O1	ZINC001130762181	940070096	/nfs/dbraw/zinc/07/00/96/940070096.db2.gz	NWFSUYPQBGDVRO-SOUVJXGZSA-N	1	0	363.462	1.069	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C)no3)n2)O1	ZINC001130756340	940078155	/nfs/dbraw/zinc/07/81/55/940078155.db2.gz	BDDXGRJNOHYHNM-QWHCGFSZSA-N	1	0	360.418	1.417	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H]3C=CCC3)n2)O1	ZINC001130756481	940079025	/nfs/dbraw/zinc/07/90/25/940079025.db2.gz	JOCJINUCQFKOAB-HRCADAONSA-N	1	0	357.458	1.610	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc[nH]c3C)n2)O1	ZINC001130774935	940090955	/nfs/dbraw/zinc/09/09/55/940090955.db2.gz	FQAXQJNZCNOUQR-DZGCQCFKSA-N	1	0	356.430	1.204	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3ccc(C)o3)n2)O1	ZINC001130775033	940092025	/nfs/dbraw/zinc/09/20/25/940092025.db2.gz	JHZKGQXLWCIRCN-JKSUJKDBSA-N	1	0	371.441	1.398	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCCCO3)n2)O1	ZINC001130775438	940092987	/nfs/dbraw/zinc/09/29/87/940092987.db2.gz	WJAVXXWDRRHJIA-RRFJBIMHSA-N	1	0	363.462	1.376	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)/C=C/C(C)(C)C)n2)O1	ZINC001130767400	940100835	/nfs/dbraw/zinc/10/08/35/940100835.db2.gz	HRQHDHGTUWCFJW-LWLVDVGCSA-N	1	0	359.474	1.856	20	30		FDEDRO
C=CCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCC[C@H](C)O)O2)n[nH]1	ZINC001130767371	940100855	/nfs/dbraw/zinc/10/08/55/940100855.db2.gz	GMBXZYLPXMUHGY-SOUVJXGZSA-N	1	0	365.478	1.358	20	30		FDEDRO
C=CCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C[C@H](CC)OC)O2)n[nH]1	ZINC001130767571	940101612	/nfs/dbraw/zinc/10/16/12/940101612.db2.gz	MLQHLJJUOKNGOF-SOUVJXGZSA-N	1	0	365.478	1.622	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)COC)n2)O1	ZINC001130769390	940106592	/nfs/dbraw/zinc/10/65/92/940106592.db2.gz	HLZQUIBIFIYXHR-MELADBBJSA-N	1	0	351.451	1.089	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCC(F)(F)F)n2)O1	ZINC001130772457	940112456	/nfs/dbraw/zinc/11/24/56/940112456.db2.gz	NYJQNBDBVNGEJV-WDEREUQCSA-N	1	0	359.352	1.206	20	30		FDEDRO
CCCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C#CC3CC3)n2)O1	ZINC001130785059	940119565	/nfs/dbraw/zinc/11/95/65/940119565.db2.gz	CANGVZSNGDCJLQ-JKSUJKDBSA-N	1	0	359.474	1.834	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(C(F)F)CC3)n2)O1	ZINC001130785503	940120014	/nfs/dbraw/zinc/12/00/14/940120014.db2.gz	QZDLSUNFXYTXRJ-WDEREUQCSA-N	1	0	355.389	1.462	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](OC)C3CC3)n2)O1	ZINC001130782799	940141714	/nfs/dbraw/zinc/14/17/14/940141714.db2.gz	DSVQLRDUWCPVFA-SQWLQELKSA-N	1	0	363.462	1.232	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](OC)C3CCC3)n2)O1	ZINC001130793811	940144037	/nfs/dbraw/zinc/14/40/37/940144037.db2.gz	BCWIDMZXPYKARQ-LZWOXQAQSA-N	1	0	363.462	1.232	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(C4CC4)CCC3)n2)O1	ZINC001130794032	940144767	/nfs/dbraw/zinc/14/47/67/940144767.db2.gz	JDFRFVBUUAGAAH-JKSUJKDBSA-N	1	0	371.485	1.834	20	30		FDEDRO
C=CC(C)(C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCOC)O2)n[nH]1	ZINC001130795926	940148886	/nfs/dbraw/zinc/14/88/86/940148886.db2.gz	DZPWZCPBYSLGDH-QWHCGFSZSA-N	1	0	351.451	1.089	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cccc(CC)n3)n2)O1	ZINC001130790111	940162368	/nfs/dbraw/zinc/16/23/68/940162368.db2.gz	IHPCRAGIRWYEEQ-GOEBONIOSA-N	1	0	370.457	1.688	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3ccccc3)n2)O1	ZINC001130790293	940163399	/nfs/dbraw/zinc/16/33/99/940163399.db2.gz	RLCUKIIUURJFQQ-DLBZAZTESA-N	1	0	367.453	1.497	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCC(F)(F)C3)n2)O1	ZINC001130790330	940164208	/nfs/dbraw/zinc/16/42/08/940164208.db2.gz	UNQGTZDBCJOEDU-RWMBFGLXSA-N	1	0	367.400	1.299	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](OC)C(C)C)n2)O1	ZINC001130805141	940176391	/nfs/dbraw/zinc/17/63/91/940176391.db2.gz	UTZSPWNTSYFGDC-LZWOXQAQSA-N	1	0	365.478	1.478	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(CF)CCC3)n2)O1	ZINC001130806458	940180622	/nfs/dbraw/zinc/18/06/22/940180622.db2.gz	BVELDBCHPISBQZ-UONOGXRCSA-N	1	0	363.437	1.394	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)c3ccco3)n2)O1	ZINC001130806524	940181728	/nfs/dbraw/zinc/18/17/28/940181728.db2.gz	FBBRUULBVBEVBM-KCQAQPDRSA-N	1	0	357.414	1.261	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C[C@H](C)O)O2)n[nH]1	ZINC001130799337	940191343	/nfs/dbraw/zinc/19/13/43/940191343.db2.gz	CCDNYTNNQWDECV-MELADBBJSA-N	1	0	365.478	1.214	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(C(F)F)CCC3)n2)O1	ZINC001130799318	940191680	/nfs/dbraw/zinc/19/16/80/940191680.db2.gz	BGXARHOCETZMNT-NWDGAFQWSA-N	1	0	367.400	1.299	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](F)CC)n2)O1	ZINC001130799508	940192499	/nfs/dbraw/zinc/19/24/99/940192499.db2.gz	KHBMQEZJJDAEOL-MELADBBJSA-N	1	0	353.442	1.945	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3coc(C4CC4)n3)n2)O1	ZINC001130811801	940205957	/nfs/dbraw/zinc/20/59/57/940205957.db2.gz	KSXUDWBHJKPXJO-GXTWGEPZSA-N	1	0	370.413	1.043	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCOC1CCC1	ZINC000807159801	940260806	/nfs/dbraw/zinc/26/08/06/940260806.db2.gz	GXECJHVCWVGVKK-UHFFFAOYSA-N	1	0	372.469	1.134	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccncc2)C[C@H]1c1cncn1C	ZINC001130886653	940283936	/nfs/dbraw/zinc/28/39/36/940283936.db2.gz	OLDIJHVBYBNASY-IAGOWNOFSA-N	1	0	355.442	1.216	20	30		FDEDRO
COCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001130894080	940289888	/nfs/dbraw/zinc/28/98/88/940289888.db2.gz	SGEOVUDXGVMIBJ-QZTJIDSGSA-N	1	0	367.453	1.412	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCn2nc(C)cc2C)C1	ZINC001130935695	940331624	/nfs/dbraw/zinc/33/16/24/940331624.db2.gz	HHLIGQDILKAJAH-QZTJIDSGSA-N	1	0	370.501	1.784	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cncc(OC)n2)C1	ZINC001130935769	940331971	/nfs/dbraw/zinc/33/19/71/940331971.db2.gz	KMODUTQKHSBQIT-HZPDHXFCSA-N	1	0	370.457	1.269	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@H]2CCN(CC=C)C2=O)C1	ZINC001130935889	940332187	/nfs/dbraw/zinc/33/21/87/940332187.db2.gz	POPIFWPBKSKXPQ-IXDOHACOSA-N	1	0	371.485	1.057	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@@H](C)C(=O)NCCC)C1	ZINC001130935765	940332225	/nfs/dbraw/zinc/33/22/25/940332225.db2.gz	KIWCMWLSNDAFRS-ARFHVFGLSA-N	1	0	361.490	1.185	20	30		FDEDRO
C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000807452760	940363321	/nfs/dbraw/zinc/36/33/21/940363321.db2.gz	FEQNZJBTOMLTKJ-CJNGLKHVSA-N	1	0	374.416	1.752	20	30		FDEDRO
C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC000807452795	940363543	/nfs/dbraw/zinc/36/35/43/940363543.db2.gz	GCFTYISZIFNKIY-WMLDXEAASA-N	1	0	356.426	1.613	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)SC)C[C@H]1c1cncn1C	ZINC001130968951	940376768	/nfs/dbraw/zinc/37/67/68/940376768.db2.gz	MKCKDPGRQKYUNM-ARFHVFGLSA-N	1	0	364.515	1.096	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CCC[N@H+]2CCC)n1	ZINC000807550978	940400316	/nfs/dbraw/zinc/40/03/16/940400316.db2.gz	XVJFPAQCDZRPCO-SFHVURJKSA-N	1	0	361.490	1.549	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC(=O)NCC)C[C@H]1c1cncn1C	ZINC001130975502	940403047	/nfs/dbraw/zinc/40/30/47/940403047.db2.gz	AZEGBJNUJUVPGJ-BZUAXINKSA-N	1	0	361.490	1.185	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC2CCCC2)C1	ZINC001130988309	940410417	/nfs/dbraw/zinc/41/04/17/940410417.db2.gz	BMFWRYZVPJNQFJ-QZTJIDSGSA-N	1	0	358.486	1.534	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1c1cncn1C	ZINC001130991649	940414517	/nfs/dbraw/zinc/41/45/17/940414517.db2.gz	VRDCVNVEMJKMBD-IAGOWNOFSA-N	1	0	356.474	1.247	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2ccn(CC)n2)C[C@H]1c1cncn1C	ZINC001130994040	940416195	/nfs/dbraw/zinc/41/61/95/940416195.db2.gz	BNWCEFLFYBUFIF-QZTJIDSGSA-N	1	0	370.501	1.729	20	30		FDEDRO
CCO[C@H](C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1cncn1C)C1CC1	ZINC001130985856	940423343	/nfs/dbraw/zinc/42/33/43/940423343.db2.gz	SDKFCSATXLUMOC-QWFCFKBJSA-N	1	0	370.497	1.533	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cn2ccc(C)n2)C[C@H]1c1cncn1C	ZINC001131001490	940427952	/nfs/dbraw/zinc/42/79/52/940427952.db2.gz	CTWNOAYSKOKONH-KBAYOESNSA-N	1	0	368.485	1.169	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2cnc(C)o2)C[C@H]1c1cncn1C	ZINC001131006022	940432370	/nfs/dbraw/zinc/43/23/70/940432370.db2.gz	IJVZYBFGGJNUNI-IAGOWNOFSA-N	1	0	357.458	1.809	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2cn(C)nc2C)C[C@H]1c1cncn1C	ZINC001131007834	940434561	/nfs/dbraw/zinc/43/45/61/940434561.db2.gz	NHXZWJDRNVUFGJ-QZTJIDSGSA-N	1	0	370.501	1.555	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2nn(C)cc2Cl)C[C@H]1c1cncn1C	ZINC001130999017	940435730	/nfs/dbraw/zinc/43/57/30/940435730.db2.gz	GYMHKAGIMUWEPE-TZMCWYRMSA-N	1	0	360.849	1.028	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)NC(=O)CC)C[C@H]1c1cncn1C	ZINC001130999031	940435739	/nfs/dbraw/zinc/43/57/39/940435739.db2.gz	HQUHCHBKBUTDJQ-BZUAXINKSA-N	1	0	361.490	1.185	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CC=CCC2)C[C@H]1c1cncn1C	ZINC001130998996	940435754	/nfs/dbraw/zinc/43/57/54/940435754.db2.gz	FUTLOLGIVLXJKP-OPYAIIAOSA-N	1	0	370.497	1.700	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC3CC3)C2)CCOCC1	ZINC001131010518	940441635	/nfs/dbraw/zinc/44/16/35/940441635.db2.gz	OVZGDIMFSDWOBU-QZTJIDSGSA-N	1	0	370.497	1.534	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2C(C)C)C[C@H]1c1cncn1C	ZINC001131019843	940452303	/nfs/dbraw/zinc/45/23/03/940452303.db2.gz	CQFZFMZNVSBZRM-HZPDHXFCSA-N	1	0	354.458	1.488	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1c1cncn1C	ZINC001131022612	940456081	/nfs/dbraw/zinc/45/60/81/940456081.db2.gz	CNKCCTDTBWMJJL-IAGOWNOFSA-N	1	0	369.469	1.283	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3O2)C[C@H]1c1cncn1C	ZINC001131025837	940459084	/nfs/dbraw/zinc/45/90/84/940459084.db2.gz	FTQDULDAUOXFNJ-HLIPFELVSA-N	1	0	366.465	1.884	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)c(OC)c2)C[C@H]1c1cncn1C	ZINC001131025930	940459093	/nfs/dbraw/zinc/45/90/93/940459093.db2.gz	KRJWZYKHFUNXAQ-QZTJIDSGSA-N	1	0	366.465	1.958	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc3[nH]ccc3n2)C[C@H]1c1cncn1C	ZINC001131028981	940463610	/nfs/dbraw/zinc/46/36/10/940463610.db2.gz	UPTKIFHDEOODNM-RDTXWAMCSA-N	1	0	362.437	1.518	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)on2)C[C@H]1c1cncn1C	ZINC001131038430	940466763	/nfs/dbraw/zinc/46/67/63/940466763.db2.gz	RCRDMYGSJMZHRX-GDBMZVCRSA-N	1	0	355.442	1.753	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCn2cncn2)C1	ZINC001131057768	940477991	/nfs/dbraw/zinc/47/79/91/940477991.db2.gz	VWMOLRPKKYXBCP-BRWVUGGUSA-N	1	0	371.489	1.198	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3nn[nH]c32)C[C@H]1c1cncn1C	ZINC001131055782	940481845	/nfs/dbraw/zinc/48/18/45/940481845.db2.gz	MDSWWKAHHAKWOO-IIAWOOMASA-N	1	0	369.473	1.118	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)Cc2occc2C)C[C@H]1c1cncn1C	ZINC001131066108	940482329	/nfs/dbraw/zinc/48/23/29/940482329.db2.gz	ACIWRACBEKFORF-IAGOWNOFSA-N	1	0	370.453	1.098	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccnc(OCC)c2)C[C@H]1c1cncn1C	ZINC001131067958	940483217	/nfs/dbraw/zinc/48/32/17/940483217.db2.gz	DDJZYKMOBXRRIJ-IAGOWNOFSA-N	1	0	367.453	1.435	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cc2C)C[C@H]1c1cncn1C	ZINC001131067933	940483241	/nfs/dbraw/zinc/48/32/41/940483241.db2.gz	BREFKAWVYDQADO-IAGOWNOFSA-N	1	0	369.469	1.993	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3ccncc3C2)C[C@H]1c1cncn1C	ZINC001131073512	940485490	/nfs/dbraw/zinc/48/54/90/940485490.db2.gz	FFWLGWXJSSHCPH-BHIYHBOVSA-N	1	0	365.481	1.690	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cn2nccc2C)C[C@H]1c1cncn1C	ZINC001131079056	940492066	/nfs/dbraw/zinc/49/20/66/940492066.db2.gz	BXXKVOGFLUWSID-IAGOWNOFSA-N	1	0	356.474	1.475	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1c1cncn1C	ZINC001131079740	940492321	/nfs/dbraw/zinc/49/23/21/940492321.db2.gz	RJLVNVMWOXQCBH-USXIJHARSA-N	1	0	354.458	1.763	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)COC3)C[C@H]1c1cncn1C	ZINC001131086087	940493358	/nfs/dbraw/zinc/49/33/58/940493358.db2.gz	FUPAJDNIGSARGJ-RTBURBONSA-N	1	0	364.449	1.671	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2c(C)n[nH]c2C)C[C@H]1c1cncn1C	ZINC001131091483	940495678	/nfs/dbraw/zinc/49/56/78/940495678.db2.gz	JXJNROIXDIEBEB-KBRIMQKVSA-N	1	0	368.485	1.471	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn(CC)c2C)C[C@H]1c1cncn1C	ZINC001131094064	940496769	/nfs/dbraw/zinc/49/67/69/940496769.db2.gz	SCXYGTFOCLOSCJ-IAGOWNOFSA-N	1	0	354.458	1.166	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn(CC)c2C)C[C@H]1c1cncn1C	ZINC001131094281	940496850	/nfs/dbraw/zinc/49/68/50/940496850.db2.gz	ZDAXAKGKSPCAGY-IAGOWNOFSA-N	1	0	354.458	1.166	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2cnn(C)c2)C[C@H]1c1cncn1C	ZINC001131097054	940497707	/nfs/dbraw/zinc/49/77/07/940497707.db2.gz	XWWIWWKFYRSELW-CGTJXYLNSA-N	1	0	370.501	1.493	20	30		FDEDRO
COc1ccc(CNC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)cc1C#N	ZINC000747436051	940497844	/nfs/dbraw/zinc/49/78/44/940497844.db2.gz	XBKAKCOGLFCFKJ-UHFFFAOYSA-N	1	0	373.501	1.734	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@H]1c1cncn1C	ZINC001131110517	940498351	/nfs/dbraw/zinc/49/83/51/940498351.db2.gz	RGKRGAXTSKFBID-IAGOWNOFSA-N	1	0	369.469	1.283	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c3cccnc23)C[C@H]1c1cncn1C	ZINC001131106320	940501859	/nfs/dbraw/zinc/50/18/59/940501859.db2.gz	UMIQAXHUSQNWCF-NVXWUHKLSA-N	1	0	362.437	1.518	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn(C(C)C)c2)C[C@H]1c1cncn1C	ZINC001131108119	940502721	/nfs/dbraw/zinc/50/27/21/940502721.db2.gz	KKBHQUIOSRKQED-IAGOWNOFSA-N	1	0	356.474	1.971	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ncccc2OC)C[C@H]1c1cncn1C	ZINC001131117783	940504700	/nfs/dbraw/zinc/50/47/00/940504700.db2.gz	RTOOHWIDMOUIPC-HZPDHXFCSA-N	1	0	369.469	1.988	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2C(C)C)C[C@H]1c1cncn1C	ZINC001131120976	940506290	/nfs/dbraw/zinc/50/62/90/940506290.db2.gz	GIWNUFNOLFDVGF-NVXWUHKLSA-N	1	0	368.485	1.498	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)COCc2ccccc2)C[C@H]1c1cncn1C	ZINC001131123296	940507047	/nfs/dbraw/zinc/50/70/47/940507047.db2.gz	ADBGTZVCWUUGFF-QZTJIDSGSA-N	1	0	354.454	1.707	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCOc2cccnc2)C[C@H]1c1cncn1C	ZINC001131125597	940507743	/nfs/dbraw/zinc/50/77/43/940507743.db2.gz	IKBSXVCOLCJREW-QZTJIDSGSA-N	1	0	367.453	1.192	20	30		FDEDRO
N#CCOc1cccc(CC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)c1	ZINC000808010498	940508227	/nfs/dbraw/zinc/50/82/27/940508227.db2.gz	AMDRBVIBQAEPML-SFHVURJKSA-N	1	0	357.454	1.845	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)C2CC2)C[C@H]1c1cncn1C	ZINC001131130577	940511347	/nfs/dbraw/zinc/51/13/47/940511347.db2.gz	UBEPQTCQLKBFEQ-CGTJXYLNSA-N	1	0	358.486	1.390	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@@H](F)CC)C1	ZINC001131132792	940512586	/nfs/dbraw/zinc/51/25/86/940512586.db2.gz	RSLMHVFHYPKNFP-ARFHVFGLSA-N	1	0	352.454	1.645	20	30		FDEDRO
Cc1c(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(C#N)ccc3F)C2)nnn1C	ZINC001086663309	940542747	/nfs/dbraw/zinc/54/27/47/940542747.db2.gz	HYNHQMJBYSDFEF-GOEBONIOSA-N	1	0	370.432	1.823	20	30		FDEDRO
C#CCCOc1ccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1	ZINC000808424652	940544511	/nfs/dbraw/zinc/54/45/11/940544511.db2.gz	QNAKYISBDGZTMK-QGZVFWFLSA-N	1	0	365.499	1.449	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)COCC)C1	ZINC001131297739	940544872	/nfs/dbraw/zinc/54/48/72/940544872.db2.gz	KLHQIPJKTAPCLX-OAGGEKHMSA-N	1	0	351.447	1.095	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)COCC)C1	ZINC001131297958	940545023	/nfs/dbraw/zinc/54/50/23/940545023.db2.gz	PRPPPHLEWNYTGA-XHSDSOJGSA-N	1	0	351.447	1.095	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CCC(=C)C)C[C@H]32)C1	ZINC001131307272	940549098	/nfs/dbraw/zinc/54/90/98/940549098.db2.gz	NOKQGOONROUYRH-ZACQAIPSSA-N	1	0	363.458	1.261	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C#CC(C)C)C1	ZINC001131307628	940549390	/nfs/dbraw/zinc/54/93/90/940549390.db2.gz	YJEHJPNODKHQEV-KURKYZTESA-N	1	0	359.470	1.718	20	30		FDEDRO
C=CCCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)CC1	ZINC001131369577	940557805	/nfs/dbraw/zinc/55/78/05/940557805.db2.gz	NUPKBXPMHYPRKG-MJGOQNOKSA-N	1	0	363.502	1.418	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+][C@@H]2CCO[C@H]2C2CCN(C(C)=O)CC2)c1	ZINC001131403949	940564470	/nfs/dbraw/zinc/56/44/70/940564470.db2.gz	FHXPBAVTCQKSRT-CTNGQTDRSA-N	1	0	369.465	1.612	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccccn2)CC1	ZINC001131411801	940566181	/nfs/dbraw/zinc/56/61/81/940566181.db2.gz	ZXDNOIKWOWXFKO-MJGOQNOKSA-N	1	0	359.470	1.884	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)CCC)CC1	ZINC001131437197	940600945	/nfs/dbraw/zinc/60/09/45/940600945.db2.gz	PEOMTVTYCKBYEM-XLIONFOSSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(=O)NC2CC2)CC1	ZINC001131448935	940602948	/nfs/dbraw/zinc/60/29/48/940602948.db2.gz	XWEPEJDPDLPNJB-BJZITVGISA-N	1	0	363.502	1.605	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCC2CCC2)CC1	ZINC001131450947	940604346	/nfs/dbraw/zinc/60/43/46/940604346.db2.gz	AXTIMMMXFAWAGU-IPELMVKDSA-N	1	0	363.502	1.948	20	30		FDEDRO
C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2nccs2)CC1	ZINC001131454088	940607674	/nfs/dbraw/zinc/60/76/74/940607674.db2.gz	LDSQAVYSTOJAGY-QAPCUYQASA-N	1	0	365.499	1.831	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCC(=O)NCC)CC1	ZINC001131454094	940607802	/nfs/dbraw/zinc/60/78/02/940607802.db2.gz	LRGYXQQWFLOMPY-XLIONFOSSA-N	1	0	365.518	1.855	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)CSC)CC1	ZINC001131464568	940622194	/nfs/dbraw/zinc/62/21/94/940622194.db2.gz	VWDLQHVJYPVNIH-NXHRZFHOSA-N	1	0	368.543	1.621	20	30		FDEDRO
C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H]2CCOC2)CC1	ZINC001131464669	940622753	/nfs/dbraw/zinc/62/27/53/940622753.db2.gz	ZKFWAOYOPKTXON-WDYCEAGBSA-N	1	0	352.475	1.211	20	30		FDEDRO
COCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1	ZINC001131470564	940626171	/nfs/dbraw/zinc/62/61/71/940626171.db2.gz	ILLNVJAUUBQSDU-AEFFLSMTSA-N	1	0	360.458	1.522	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2nnc[nH]2)CC1	ZINC001131473213	940628435	/nfs/dbraw/zinc/62/84/35/940628435.db2.gz	UJOUTDJDUBGRBS-APWZRJJASA-N	1	0	361.490	1.689	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCc2cc(C#N)ccc2F)C1	ZINC000808835769	940633060	/nfs/dbraw/zinc/63/30/60/940633060.db2.gz	VECTVPHDJOLJPB-INIZCTEOSA-N	1	0	374.460	1.798	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC2(F)F)CC1	ZINC001131493842	940644547	/nfs/dbraw/zinc/64/45/47/940644547.db2.gz	SVQFTWHCUHTTBJ-XHSDSOJGSA-N	1	0	356.413	1.277	20	30		FDEDRO
C#CCOCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C/C=C\Cl)CC1	ZINC001131498501	940648533	/nfs/dbraw/zinc/64/85/33/940648533.db2.gz	BQIIKVMSLBUOCT-YDMGJVBSSA-N	1	0	354.878	1.765	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccn3nnnc23)CC1	ZINC001131502361	940652621	/nfs/dbraw/zinc/65/26/21/940652621.db2.gz	BHJMPXLNFNPHHE-SJORKVTESA-N	1	0	370.457	1.300	20	30		FDEDRO
C#CCC1(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+][C@@H](C)C(N)=O)CC2)CCC1	ZINC001131515365	940679852	/nfs/dbraw/zinc/67/98/52/940679852.db2.gz	GLYNNINAFCDABP-UAGQMJEPSA-N	1	0	361.486	1.040	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCC)CC1	ZINC001131515298	940679896	/nfs/dbraw/zinc/67/98/96/940679896.db2.gz	CCOXCWXBDORREZ-AABGKKOBSA-N	1	0	361.530	1.870	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnc3nccn3c2)CC1	ZINC001131527886	940697437	/nfs/dbraw/zinc/69/74/37/940697437.db2.gz	DJVVSGUOPSEMQO-MSOLQXFVSA-N	1	0	367.453	1.352	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(C(N)=O)o2)CC1	ZINC001131528405	940698557	/nfs/dbraw/zinc/69/85/57/940698557.db2.gz	WANGEZIKZGIANS-PBHICJAKSA-N	1	0	359.426	1.001	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2nccn2C)CC1	ZINC001131533795	940704557	/nfs/dbraw/zinc/70/45/57/940704557.db2.gz	SZTJRQSEHOCUOQ-XLIONFOSSA-N	1	0	358.486	1.362	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCOC[C@H]2CCCO2)CC1	ZINC001131522397	940705467	/nfs/dbraw/zinc/70/54/67/940705467.db2.gz	FWNDOZUXDAFMHG-GGPKGHCWSA-N	1	0	366.502	1.744	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCn3nccc32)CC1	ZINC001131522503	940706016	/nfs/dbraw/zinc/70/60/16/940706016.db2.gz	KTELJIXZSVNJIT-GGPKGHCWSA-N	1	0	370.497	1.770	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NCCC)CC1	ZINC001131546381	940722721	/nfs/dbraw/zinc/72/27/21/940722721.db2.gz	ZYCBTGSQBABTDN-AEFFLSMTSA-N	1	0	365.518	1.711	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@]2(COC)CCOC2)CC1	ZINC001131538092	940726418	/nfs/dbraw/zinc/72/64/18/940726418.db2.gz	GFSXMCBXPLIHSI-HBFSDRIKSA-N	1	0	364.486	1.049	20	30		FDEDRO
C=CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NCC=C)CC1	ZINC001131552628	940729217	/nfs/dbraw/zinc/72/92/17/940729217.db2.gz	ZDOJVRLQCJNOQW-XLIONFOSSA-N	1	0	363.502	1.631	20	30		FDEDRO
C=C1CC(C)(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+][C@@H](C)C(=O)NC)CC2)C1	ZINC001131559926	940734324	/nfs/dbraw/zinc/73/43/24/940734324.db2.gz	OHBMHKWQDKQKLJ-UAGQMJEPSA-N	1	0	363.502	1.463	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCCOC)CC2)c1	ZINC001131562510	940736510	/nfs/dbraw/zinc/73/65/10/940736510.db2.gz	WCARDVAVNYFSAH-UXHICEINSA-N	1	0	371.481	1.699	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2cnn(C)n2)CC1	ZINC001131564952	940741073	/nfs/dbraw/zinc/74/10/73/940741073.db2.gz	ZLSJGYOITZOTPB-MJGOQNOKSA-N	1	0	361.490	1.310	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2ccnc(OC)c2)CC1	ZINC001131570502	940746154	/nfs/dbraw/zinc/74/61/54/940746154.db2.gz	JWQMUGBOYQJADW-NQIIRXRSSA-N	1	0	371.481	1.642	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](CC)NC(C)=O)CC1	ZINC001131570689	940746648	/nfs/dbraw/zinc/74/66/48/940746648.db2.gz	NZICONFJCLCVKL-QRVBRYPASA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(=O)NC)CC1	ZINC001131572727	940748649	/nfs/dbraw/zinc/74/86/49/940748649.db2.gz	NOTNDJUBIAOOFE-OIISXLGYSA-N	1	0	365.518	1.709	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC)CC1	ZINC001131575002	940752050	/nfs/dbraw/zinc/75/20/50/940752050.db2.gz	OUFBLUMVVQSWTR-KURKYZTESA-N	1	0	351.491	1.463	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](CC(=C)C)NC(C)=O)CC1	ZINC001131575465	940752383	/nfs/dbraw/zinc/75/23/83/940752383.db2.gz	ZDWPHUZVVHMNHB-QYZOEREBSA-N	1	0	361.486	1.076	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COC[C@H]2CCOC2)CC1	ZINC001131575423	940752484	/nfs/dbraw/zinc/75/24/84/940752484.db2.gz	XJPWRBVNJVLZIE-WDYCEAGBSA-N	1	0	352.475	1.211	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)OCCOC)CC1	ZINC001131577892	940755080	/nfs/dbraw/zinc/75/50/80/940755080.db2.gz	HSSKQXGYRCUGOG-JQHSSLGASA-N	1	0	354.491	1.600	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCOCCCOC)CC1	ZINC001131590763	940760690	/nfs/dbraw/zinc/76/06/90/940760690.db2.gz	RLOSKWZIVKTQTF-MJGOQNOKSA-N	1	0	352.475	1.049	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2cnccn2)CC1	ZINC001131590917	940761242	/nfs/dbraw/zinc/76/12/42/940761242.db2.gz	ZGPYKCDUYQJDIM-QUCCMNQESA-N	1	0	358.486	1.971	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCc3n[nH]cc3C2)CC1	ZINC001131593020	940764322	/nfs/dbraw/zinc/76/43/22/940764322.db2.gz	IKMIUGLZWKMNGA-DBVUQKKJSA-N	1	0	370.497	1.524	20	30		FDEDRO
CC[NH+](CC)[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2NCC#N)CC1)C(C)C	ZINC001131580071	940766253	/nfs/dbraw/zinc/76/62/53/940766253.db2.gz	IFFXWIAGIPZAKW-QYZOEREBSA-N	1	0	364.534	1.862	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)OCCOCC)CC1	ZINC001131606741	940776498	/nfs/dbraw/zinc/77/64/98/940776498.db2.gz	DAYQWRDULFODGC-NXHRZFHOSA-N	1	0	354.491	1.600	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCC(=O)NCC)CC1	ZINC001131594747	940777104	/nfs/dbraw/zinc/77/71/04/940777104.db2.gz	CCQDYGAFPRCJHW-XLIONFOSSA-N	1	0	363.502	1.302	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H]2COc3ccccc3C2)nc1	ZINC000809203880	940784336	/nfs/dbraw/zinc/78/43/36/940784336.db2.gz	QKZARHDOPCBFFT-HNNXBMFYSA-N	1	0	357.435	1.568	20	30		FDEDRO
C=CCCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H](CC)OC)CC1	ZINC001131610364	940790512	/nfs/dbraw/zinc/79/05/12/940790512.db2.gz	NHXWXQBEQWABRM-GGPKGHCWSA-N	1	0	368.518	1.990	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCCOCC)CC1	ZINC001131610581	940790757	/nfs/dbraw/zinc/79/07/57/940790757.db2.gz	XJAVRJNBWLVZGX-MJGOQNOKSA-N	1	0	354.491	1.601	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCOCC)CC1	ZINC001131612248	940792002	/nfs/dbraw/zinc/79/20/02/940792002.db2.gz	FARYLUUGEKONMP-UHOSZYNNSA-N	1	0	368.518	1.990	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)c2cnn(C)c2)CC1	ZINC001131621049	940796402	/nfs/dbraw/zinc/79/64/02/940796402.db2.gz	OWIJCNKVEJQGQY-IPELMVKDSA-N	1	0	358.486	1.533	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC[C@H](C(CC)CC)[NH+]1CCCC1)[C@H]1CCCO1	ZINC000809313731	940817135	/nfs/dbraw/zinc/81/71/35/940817135.db2.gz	UQYAZCBXZGRDJA-RCCFBDPRSA-N	1	0	363.502	1.300	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N(C)CCC[NH+]2CCCC2)cc1C#N	ZINC000809501274	940844526	/nfs/dbraw/zinc/84/45/26/940844526.db2.gz	HETMNDCOIQFXGK-UHFFFAOYSA-N	1	0	358.442	1.127	20	30		FDEDRO
CCc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1C	ZINC001086676048	940924051	/nfs/dbraw/zinc/92/40/51/940924051.db2.gz	QFQRHCUIOYTFCW-QWHCGFSZSA-N	1	0	355.446	1.266	20	30		FDEDRO
Cn1ncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(F)ccc3C#N)C2)c1N	ZINC001086679337	941015531	/nfs/dbraw/zinc/01/55/31/941015531.db2.gz	MIVXKTPLXLBNTD-BLLLJJGKSA-N	1	0	370.432	1.701	20	30		FDEDRO
C#Cc1ccccc1CC(=O)OCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1	ZINC000811260171	941109450	/nfs/dbraw/zinc/10/94/50/941109450.db2.gz	YFPYUBOIDKMLAI-LJQANCHMSA-N	1	0	372.465	1.227	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)OCc2cc(=O)n3ncc(C#N)c3[nH]2)C1	ZINC000811447766	941133043	/nfs/dbraw/zinc/13/30/43/941133043.db2.gz	OMYZYJIMYHXMOH-KRWDZBQOSA-N	1	0	361.377	1.562	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)NCCOc2cccc(C)c2)CC1	ZINC000747818009	941272901	/nfs/dbraw/zinc/27/29/01/941272901.db2.gz	CYVHTJKMEWAFKW-KRWDZBQOSA-N	1	0	371.481	1.340	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CCC(=O)Nc2ccc3c(c2)OCO3)CC1	ZINC000747818670	941274208	/nfs/dbraw/zinc/27/42/08/941274208.db2.gz	ZPVGRHYQQKAQSZ-UHFFFAOYSA-N	1	0	357.410	1.205	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1	ZINC000813472659	941390284	/nfs/dbraw/zinc/39/02/84/941390284.db2.gz	VFXHNTRDCCPIFL-OAHLLOKOSA-N	1	0	350.463	1.690	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC1CCN(C(=O)C(C)(C)C)CC1	ZINC001134052958	941539619	/nfs/dbraw/zinc/53/96/19/941539619.db2.gz	HVHHMFPIHQUZJF-SJORKVTESA-N	1	0	365.518	1.568	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1	ZINC001086721384	941646545	/nfs/dbraw/zinc/64/65/45/941646545.db2.gz	WTOVCRKLBGCULY-NWDGAFQWSA-N	1	0	369.263	1.177	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)NC(=O)Nc2ccccc2)CC1	ZINC000747969127	941708430	/nfs/dbraw/zinc/70/84/30/941708430.db2.gz	RIBHMRRXTCRCPC-CQSZACIVSA-N	1	0	356.426	1.185	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1	ZINC000747983204	941730246	/nfs/dbraw/zinc/73/02/46/941730246.db2.gz	FFNHHPMAOOAQKG-OXQOHEQNSA-N	1	0	362.518	1.668	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1	ZINC000747984006	941737133	/nfs/dbraw/zinc/73/71/33/941737133.db2.gz	LJOUPQVDPRMSDX-BBWFWOEESA-N	1	0	362.518	1.524	20	30		FDEDRO
C#CCNC(=O)CC[NH+]1CCN(Cc2cccc(C(F)(F)F)c2)CC1	ZINC000815007772	941750192	/nfs/dbraw/zinc/75/01/92/941750192.db2.gz	DMEFRCLRACBHKJ-UHFFFAOYSA-N	1	0	353.388	1.963	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1cc(C(=O)OCC)ccc1C	ZINC000815082656	941777276	/nfs/dbraw/zinc/77/72/76/941777276.db2.gz	CMKFLHPIBZXLBC-UHFFFAOYSA-N	1	0	352.456	1.405	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1cc(C(=O)OC)cc(F)c1C	ZINC000815083231	941778400	/nfs/dbraw/zinc/77/84/00/941778400.db2.gz	RMYRNSDZUUMUCZ-UHFFFAOYSA-N	1	0	356.419	1.154	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@@H]1CCN(CC)[C@@H]1c1cc(F)c(F)c(F)c1	ZINC000815111712	941780043	/nfs/dbraw/zinc/78/00/43/941780043.db2.gz	FRSRRTSYCSNVAS-CRAIPNDOSA-N	1	0	353.388	1.968	20	30		FDEDRO
CN(C)C(=O)OC1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000815189007	941795783	/nfs/dbraw/zinc/79/57/83/941795783.db2.gz	DGWYTVWJKMRYPJ-MRXNPFEDSA-N	1	0	361.442	1.655	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cccc(OC)c1	ZINC001135035997	941869118	/nfs/dbraw/zinc/86/91/18/941869118.db2.gz	XPJMHXMXNSVPRO-RBUKOAKNSA-N	1	0	371.481	1.705	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]C[C@@H]1COc2ccccc2O1	ZINC001135065155	941882161	/nfs/dbraw/zinc/88/21/61/941882161.db2.gz	WPOPEFOKKOUYHB-GJYPPUQNSA-N	1	0	360.454	1.904	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)N1CCC(C)CC1	ZINC001135067568	941883427	/nfs/dbraw/zinc/88/34/27/941883427.db2.gz	AZKUUWNWFWAFIL-BZSNNMDCSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccc(F)cc1F	ZINC001135147889	941935022	/nfs/dbraw/zinc/93/50/22/941935022.db2.gz	RUSBXXWIEQUWPS-GUYCJALGSA-N	1	0	367.396	1.590	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1	ZINC000815746546	941953329	/nfs/dbraw/zinc/95/33/29/941953329.db2.gz	MHFBCVHIZOQKHE-KUHUBIRLSA-N	1	0	356.426	1.470	20	30		FDEDRO
C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3ccc(F)cc3OCC#N)C2)C1	ZINC000815746700	941953370	/nfs/dbraw/zinc/95/33/70/941953370.db2.gz	RFBZEKXARLPTPG-GOSISDBHSA-N	1	0	360.389	1.221	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccnc1Oc1ccccc1	ZINC000815860787	941996255	/nfs/dbraw/zinc/99/62/55/941996255.db2.gz	AIJLQFIBWPRJSV-UHFFFAOYSA-N	1	0	366.421	1.884	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)O[C@@H]2CCCN(c3cc[nH+]c(N)n3)C2)c1	ZINC000816055599	942049984	/nfs/dbraw/zinc/04/99/84/942049984.db2.gz	MKASMTCLJNKYFS-MRXNPFEDSA-N	1	0	366.425	1.822	20	30		FDEDRO
C=CC[C@H](CO)[NH2+]C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1	ZINC000816569462	942264495	/nfs/dbraw/zinc/26/44/95/942264495.db2.gz	MVBBAJGYNQXDPU-HUUCEWRRSA-N	1	0	355.479	1.276	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCNC3=O)C2)ccc1F	ZINC001086776560	942473151	/nfs/dbraw/zinc/47/31/51/942473151.db2.gz	KTQINVSJTLHMCI-IMJJTQAJSA-N	1	0	358.417	1.208	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccncc1	ZINC001170853245	942485888	/nfs/dbraw/zinc/48/58/88/942485888.db2.gz	OYLRMDQTWYQQMU-RYQLBKOJSA-N	1	0	358.486	1.752	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1	ZINC000817809353	942961996	/nfs/dbraw/zinc/96/19/96/942961996.db2.gz	YJEMTIGXJPFVDH-INIZCTEOSA-N	1	0	355.482	1.911	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2	ZINC000818133445	943191017	/nfs/dbraw/zinc/19/10/17/943191017.db2.gz	KLOKJZKHRDGIDI-OLZOCXBDSA-N	1	0	353.806	1.282	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)COC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000818603237	943328796	/nfs/dbraw/zinc/32/87/96/943328796.db2.gz	VGJFLKYWKGNKDI-UHFFFAOYSA-N	1	0	367.490	1.474	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)/C(=C\c1ccc(F)cc1)n1nnnc1C	ZINC000818606425	943330008	/nfs/dbraw/zinc/33/00/08/943330008.db2.gz	SRQNGKIMXSPQFC-GHRIWEEISA-N	1	0	356.405	1.190	20	30		FDEDRO
CCCCCCCCCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1	ZINC000818663403	943336090	/nfs/dbraw/zinc/33/60/90/943336090.db2.gz	KUIYOVPNFQIPSH-DLBZAZTESA-N	1	0	363.506	1.540	20	30		FDEDRO
Cc1nccn1-c1ncccc1C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1	ZINC000818970068	943386488	/nfs/dbraw/zinc/38/64/88/943386488.db2.gz	LIPHALGPBXAUFW-GOSISDBHSA-N	1	0	363.421	1.977	20	30		FDEDRO
CCNC(=O)COc1cccc(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)c1	ZINC000818969420	943386597	/nfs/dbraw/zinc/38/65/97/943386597.db2.gz	PHMNBDLJJMACEG-LJQANCHMSA-N	1	0	353.422	1.896	20	30		FDEDRO
Cc1ccc(OC[C@@H](O)C[NH2+]CCNC(=O)C2N=CC=CC2=O)c(C)c1	ZINC000819048730	943394303	/nfs/dbraw/zinc/39/43/03/943394303.db2.gz	AOVMGKNQZKSWKQ-MJWGMMHASA-N	1	0	359.426	1.159	20	30		FDEDRO
CN(C)c1ccc(NC(=O)CC[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1	ZINC000819050306	943395345	/nfs/dbraw/zinc/39/53/45/943395345.db2.gz	RMQCJAWDLVWWAC-VHEBQXMUSA-N	1	0	371.441	1.197	20	30		FDEDRO
C=C[C@@H]1C[C@@]1(Nc1ncccc1C(=O)NCCC[NH+](C)C)C(=O)OCC	ZINC001170922174	943412685	/nfs/dbraw/zinc/41/26/85/943412685.db2.gz	FOINSVZBQFOPOV-KUHUBIRLSA-N	1	0	360.458	1.683	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncc(C)o3)C2)nn1	ZINC001086824652	943413428	/nfs/dbraw/zinc/41/34/28/943413428.db2.gz	SMDGEMYCNXSSKO-LSDHHAIUSA-N	1	0	358.446	1.839	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1	ZINC000819254839	943484574	/nfs/dbraw/zinc/48/45/74/943484574.db2.gz	YPCBNWBLRZABJK-HRCADAONSA-N	1	0	354.495	1.618	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nncs2)C1	ZINC001086826330	943511681	/nfs/dbraw/zinc/51/16/81/943511681.db2.gz	JUCMKGBDHSAIFL-FQLMCAECSA-N	1	0	350.488	1.894	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]C[C@@]1(COC)CCCN1C(=O)OC(C)(C)C	ZINC000819309151	943513070	/nfs/dbraw/zinc/51/30/70/943513070.db2.gz	LUNYRUJLPBPMIQ-GOSISDBHSA-N	1	0	353.463	1.132	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1	ZINC000819349318	943535866	/nfs/dbraw/zinc/53/58/66/943535866.db2.gz	KCYPAMHBOQRMSO-CQSZACIVSA-N	1	0	358.392	1.872	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CCN1CCO	ZINC000819503084	943599685	/nfs/dbraw/zinc/59/96/85/943599685.db2.gz	HYCUYDLGQSVCJI-CABCVRRESA-N	1	0	368.478	1.099	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCC[N@H+]1CC=CCC1	ZINC000819519974	943626549	/nfs/dbraw/zinc/62/65/49/943626549.db2.gz	RZOJTQAOXFUBGT-HNNXBMFYSA-N	1	0	350.463	1.952	20	30		FDEDRO
C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1	ZINC000820133779	943908030	/nfs/dbraw/zinc/90/80/30/943908030.db2.gz	QBYPOLGEMAIUGL-OAHLLOKOSA-N	1	0	356.422	1.479	20	30		FDEDRO
O=C(N[C@H]1CCN(O)C1=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1	ZINC000820185188	943939646	/nfs/dbraw/zinc/93/96/46/943939646.db2.gz	JXVYYPFGSKYGSD-BBRMVZONSA-N	1	0	371.359	1.547	20	30		FDEDRO
C#CCCOc1ccc(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)cc1	ZINC000820632507	944129756	/nfs/dbraw/zinc/12/97/56/944129756.db2.gz	NUCAQSACNMUBEE-IBGZPJMESA-N	1	0	369.465	1.514	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2	ZINC000820688227	944155708	/nfs/dbraw/zinc/15/57/08/944155708.db2.gz	NFSZDYRILZSEDR-UHFFFAOYSA-N	1	0	356.392	1.852	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC2CCC2)NC(C)=O)C1	ZINC001195587924	971060280	/nfs/dbraw/zinc/06/02/80/971060280.db2.gz	QQSQESBGBOERSJ-GUDVDZBRSA-N	1	0	367.534	1.813	20	30		FDEDRO
C=CCN1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1	ZINC000820809906	944203310	/nfs/dbraw/zinc/20/33/10/944203310.db2.gz	KPULXPVBVGFCLQ-CQSZACIVSA-N	1	0	365.499	1.247	20	30		FDEDRO
CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)nn1	ZINC001086840592	944288974	/nfs/dbraw/zinc/28/89/74/944288974.db2.gz	MSHIYYASJDKEFG-DLBZAZTESA-N	1	0	352.442	1.858	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1	ZINC001136458818	944541025	/nfs/dbraw/zinc/54/10/25/944541025.db2.gz	VSGFKIKCELGLPR-UHFFFAOYSA-N	1	0	370.453	1.556	20	30		FDEDRO
C#CCCN(CCOC)C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1	ZINC000856391258	971112512	/nfs/dbraw/zinc/11/25/12/971112512.db2.gz	PGCGYROBVLNXJU-RBUKOAKNSA-N	1	0	360.502	1.732	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](C#N)C1	ZINC000821920271	944761007	/nfs/dbraw/zinc/76/10/07/944761007.db2.gz	QPPPFKCFIGWOBB-GJZGRUSLSA-N	1	0	362.474	1.738	20	30		FDEDRO
N#Cc1cccc2[nH]cc(C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)c21	ZINC001136517289	944761633	/nfs/dbraw/zinc/76/16/33/944761633.db2.gz	WKFOSVQOZKLFCO-CQSZACIVSA-N	1	0	353.426	1.357	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1	ZINC000856478237	971179802	/nfs/dbraw/zinc/17/98/02/971179802.db2.gz	YJPUAYHOKJXKAQ-IJYGLTAASA-N	1	0	360.458	1.141	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C2)n1	ZINC001090751370	946252277	/nfs/dbraw/zinc/25/22/77/946252277.db2.gz	WOZLHDYRSODVNN-GDBMZVCRSA-N	1	0	358.490	1.583	20	30		FDEDRO
C#CCN1CCCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC1	ZINC001136863345	946359295	/nfs/dbraw/zinc/35/92/95/946359295.db2.gz	YLLSKNIGSUJWLG-UHFFFAOYSA-N	1	0	354.498	1.215	20	30		FDEDRO
C#C[C@@H](NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1)C1CCOCC1	ZINC000824694530	946693845	/nfs/dbraw/zinc/69/38/45/946693845.db2.gz	VRUOGACQMDDQKY-MRXNPFEDSA-N	1	0	370.453	1.462	20	30		FDEDRO
C#C[C@H](NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1)C1CCOCC1	ZINC000824694527	946694333	/nfs/dbraw/zinc/69/43/33/946694333.db2.gz	VRUOGACQMDDQKY-INIZCTEOSA-N	1	0	370.453	1.462	20	30		FDEDRO
C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001573283548	946716849	/nfs/dbraw/zinc/71/68/49/946716849.db2.gz	VAFRRZBHMQJZIZ-IAGOWNOFSA-N	1	0	367.457	1.677	20	30		FDEDRO
C#CCCCCCC(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573283748	946725371	/nfs/dbraw/zinc/72/53/71/946725371.db2.gz	XHYZNSKRKFLFJP-UHFFFAOYSA-N	1	0	366.469	1.998	20	30		FDEDRO
CON=C(C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)c1csc(N)n1	ZINC000824777009	946749705	/nfs/dbraw/zinc/74/97/05/946749705.db2.gz	CBGYGEPNGWIREL-GFCCVEGCSA-N	1	0	351.476	1.314	20	30		FDEDRO
C#CCCCC(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CC1	ZINC001573284632	946752683	/nfs/dbraw/zinc/75/26/83/946752683.db2.gz	IFFRZVLBMXRLDH-KRWDZBQOSA-N	1	0	370.432	1.794	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)C1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1	ZINC001573560220	946950239	/nfs/dbraw/zinc/95/02/39/946950239.db2.gz	AOAYCZGFWZNAKB-GFCCVEGCSA-N	1	0	371.420	1.588	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@H](C)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573293328	946953231	/nfs/dbraw/zinc/95/32/31/946953231.db2.gz	SMVJXRVGXBJEQT-VIFPVBQESA-N	1	0	368.239	1.154	20	30		FDEDRO
CC(C)[C@@H](CCN(C)C(=O)[C@H](C)C#N)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573561742	946966845	/nfs/dbraw/zinc/96/68/45/946966845.db2.gz	MYTKGVKJEMJQJY-RHSMWYFYSA-N	1	0	369.473	1.989	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]21	ZINC001573294052	946974757	/nfs/dbraw/zinc/97/47/57/946974757.db2.gz	SHKDUMIGKRSZTC-BPLDGKMQSA-N	1	0	355.446	1.601	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F	ZINC001573566482	947027529	/nfs/dbraw/zinc/02/75/29/947027529.db2.gz	CHLZPGQGRJJSCO-BXUZGUMPSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)C1	ZINC001573566486	947027780	/nfs/dbraw/zinc/02/77/80/947027780.db2.gz	CKLZDGYNULRLNE-NEPJUHHUSA-N	1	0	359.459	1.511	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573567288	947041436	/nfs/dbraw/zinc/04/14/36/947041436.db2.gz	LJTUHQVKORUYNI-UKRRQHHQSA-N	1	0	353.430	1.355	20	30		FDEDRO
C=C1CCC(C(=O)NCC[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1	ZINC001573296152	947041647	/nfs/dbraw/zinc/04/16/47/947041647.db2.gz	LEYZBUWFOKMXSQ-UHFFFAOYSA-N	1	0	358.421	1.958	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001573297101	947059984	/nfs/dbraw/zinc/05/99/84/947059984.db2.gz	DFYZXMBFYUVDDP-VXGBXAGGSA-N	1	0	363.853	1.826	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H](CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C(C)C	ZINC001573297151	947062118	/nfs/dbraw/zinc/06/21/18/947062118.db2.gz	FBCAYCNIFVKETJ-LLVKDONJSA-N	1	0	351.842	1.681	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001573298540	947076390	/nfs/dbraw/zinc/07/63/90/947076390.db2.gz	PKDQKGPWRNERGP-QMTHXVAHSA-N	1	0	363.853	1.778	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573298566	947076569	/nfs/dbraw/zinc/07/65/69/947076569.db2.gz	PSBXEPFGAAKMSF-WCQYABFASA-N	1	0	363.853	1.826	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C(C)(C)C	ZINC001573572065	947109300	/nfs/dbraw/zinc/10/93/00/947109300.db2.gz	DOBASCDEELGUPB-XHDPSFHLSA-N	1	0	373.436	1.786	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1	ZINC001573572913	947117275	/nfs/dbraw/zinc/11/72/75/947117275.db2.gz	KSYUXTXAIUBZPF-UKRRQHHQSA-N	1	0	353.430	1.497	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC1CC(C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573573069	947119450	/nfs/dbraw/zinc/11/94/50/947119450.db2.gz	LYRDREXEMPPSOS-IFQILLTASA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC1CC2(C1)CC([NH2+]Cc1ccc(-c3nn[nH]n3)s1)C2	ZINC001573575096	947135122	/nfs/dbraw/zinc/13/51/22/947135122.db2.gz	VYMLTHQWGJJRRU-CCOGEBNFSA-N	1	0	371.470	1.605	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CCCCC1	ZINC001573575682	947140923	/nfs/dbraw/zinc/14/09/23/947140923.db2.gz	ZIDFDXBMGSLZLX-BLLLJJGKSA-N	1	0	368.445	1.320	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@H]1CCCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573576248	947149644	/nfs/dbraw/zinc/14/96/44/947149644.db2.gz	FRKQMPHUNFMVPC-WMLDXEAASA-N	1	0	367.457	1.887	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC001573582396	947190817	/nfs/dbraw/zinc/19/08/17/947190817.db2.gz	DJOZGWNGZQPIFF-ZDUSSCGKSA-N	1	0	353.430	1.355	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573584980	947241458	/nfs/dbraw/zinc/24/14/58/947241458.db2.gz	BIAQHYTWPFVYOQ-RAIGVLPGSA-N	1	0	357.393	1.150	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1c1ccc(OC)cc1	ZINC001090862080	947294820	/nfs/dbraw/zinc/29/48/20/947294820.db2.gz	BHCMCSMYTQLKAX-FUHWJXTLSA-N	1	0	368.437	1.965	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1	ZINC001573587233	947302037	/nfs/dbraw/zinc/30/20/37/947302037.db2.gz	YIJWRMJSIBKCBX-JHJVBQTASA-N	1	0	373.486	1.852	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1c1ccc(OC)cc1	ZINC001090864493	947332141	/nfs/dbraw/zinc/33/21/41/947332141.db2.gz	HNLYDJKPAHVGGE-DLBZAZTESA-N	1	0	366.483	1.200	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)n2cccn2)C[C@H]1c1ccc(OC)cc1	ZINC001090865061	947343928	/nfs/dbraw/zinc/34/39/28/947343928.db2.gz	OSCXEHFUSKSSPO-ZYSHUDEJSA-N	1	0	352.438	1.670	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cn2cc(C)cn2)C[C@H]1c1ccc(OC)cc1	ZINC001090865657	947352353	/nfs/dbraw/zinc/35/23/53/947352353.db2.gz	YNSHSTKDOHEPCY-RBUKOAKNSA-N	1	0	354.454	1.970	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573329386	947417712	/nfs/dbraw/zinc/41/77/12/947417712.db2.gz	ISOBSSIKOYTTMO-MLGOLLRUSA-N	1	0	358.421	1.909	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CO[C@H]2CCOC2)C[C@H]1c1ccc(OC)cc1	ZINC001090871075	947419942	/nfs/dbraw/zinc/41/99/42/947419942.db2.gz	PWSKCSFCVWNMNS-GBESFXJTSA-N	1	0	360.454	1.571	20	30		FDEDRO
C=CCCC(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1	ZINC001573330391	947433884	/nfs/dbraw/zinc/43/38/84/947433884.db2.gz	WZFUDQQTVJURCM-KBPBESRZSA-N	1	0	355.446	1.546	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]21	ZINC001573335466	947479583	/nfs/dbraw/zinc/47/95/83/947479583.db2.gz	ORBIOZRVTCWOLX-RBSFLKMASA-N	1	0	369.473	1.991	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN([C@@H](C)C(=O)NCCC(C)C)C[C@H]2O)C1	ZINC001196019312	971385894	/nfs/dbraw/zinc/38/58/94/971385894.db2.gz	BMNPWYSFFFWSKR-ARFHVFGLSA-N	1	0	351.491	1.055	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090872278	947498321	/nfs/dbraw/zinc/49/83/21/947498321.db2.gz	HCWWWCKXANWBRF-BPQIPLTHSA-N	1	0	357.454	1.244	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1c1ccc(OC)cc1	ZINC001090878774	947616646	/nfs/dbraw/zinc/61/66/46/947616646.db2.gz	YUDQNILDMAEHSZ-CEXWTWQISA-N	1	0	371.481	1.634	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cn2ccnc2C)C[C@H]1c1ccc(OC)cc1	ZINC001090885514	947661389	/nfs/dbraw/zinc/66/13/89/947661389.db2.gz	SVIUOZNCJBXJIK-RBUKOAKNSA-N	1	0	352.438	1.418	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCc2cn(C)nn2)C[C@H]1c1ccc(OC)cc1	ZINC001090888710	947715882	/nfs/dbraw/zinc/71/58/82/947715882.db2.gz	ULUPPHGDWLCPHZ-RBUKOAKNSA-N	1	0	369.469	1.527	20	30		FDEDRO
[NH3+]C1(CNC(=O)CCNC(=O)C2N=CC=CC2=O)C2CC3CC(C2)CC1C3	ZINC000844199475	947870355	/nfs/dbraw/zinc/87/03/55/947870355.db2.gz	FZKNMSGTHJIUBB-HNENSFHCSA-N	1	0	372.469	1.173	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N[C@@H]1CN(c2cc(C)ncc2C#N)C[C@H]1OC	ZINC001090904189	947880000	/nfs/dbraw/zinc/88/00/00/947880000.db2.gz	AOVBYPKSPIYUAR-SJLPKXTDSA-N	1	0	359.474	1.313	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H]1OC	ZINC001090906835	947890930	/nfs/dbraw/zinc/89/09/30/947890930.db2.gz	AXSZAPWWYZMPFY-VXGBXAGGSA-N	1	0	371.894	1.330	20	30		FDEDRO
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)Nc1ccn(CC[NH+](C)C)n1	ZINC000844546888	948164402	/nfs/dbraw/zinc/16/44/02/948164402.db2.gz	XLNUADRDEOACHQ-INIZCTEOSA-N	1	0	356.430	1.514	20	30		FDEDRO
Cc1cc(C#N)nc(N[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]2C)n1	ZINC001090979214	948219591	/nfs/dbraw/zinc/21/95/91/948219591.db2.gz	CFPFOWVOMFRMLE-RHSMWYFYSA-N	1	0	356.474	1.792	20	30		FDEDRO
C[NH+]1CCN(CCCS(=O)(=O)Oc2ccc(C#N)c(Cl)c2)CC1	ZINC000867158724	971468943	/nfs/dbraw/zinc/46/89/43/971468943.db2.gz	IGJTYKPHDHYSEH-UHFFFAOYSA-N	1	0	357.863	1.558	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccno4)[C@H]3C2)nc1	ZINC001144158520	948301927	/nfs/dbraw/zinc/30/19/27/948301927.db2.gz	JVHLRGWFESZLID-QILLFSRXSA-N	1	0	367.409	1.208	20	30		FDEDRO
N#Cc1ccc(C[NH+]2CCC3(C[C@@H](C(=O)N4CCOCC4)CO3)CC2)nc1	ZINC001144160344	948304945	/nfs/dbraw/zinc/30/49/45/948304945.db2.gz	GJPCJFJIKBQWJM-QGZVFWFLSA-N	1	0	370.453	1.183	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CCC(C)C)nn2)C1	ZINC001196139404	971474634	/nfs/dbraw/zinc/47/46/34/971474634.db2.gz	VGGOGJLROCIZTI-SJLPKXTDSA-N	1	0	363.506	1.846	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H](Nc2nc(C)cc(C#N)n2)C1	ZINC001091008355	948402013	/nfs/dbraw/zinc/40/20/13/948402013.db2.gz	YZCMDXNISMOAOR-UHOFOFEASA-N	1	0	362.453	1.595	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)CC1	ZINC000844947905	948565693	/nfs/dbraw/zinc/56/56/93/948565693.db2.gz	DDKJDYQLWVMRNE-LJQANCHMSA-N	1	0	374.485	1.734	20	30		FDEDRO
CC(=O)N1CSC[C@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000845006154	948585242	/nfs/dbraw/zinc/58/52/42/948585242.db2.gz	CHUKLIYJYZYKCX-SFHVURJKSA-N	1	0	372.494	1.560	20	30		FDEDRO
Cc1nc(N2C[C@H]3OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]3C2)ccc1C#N	ZINC001091047011	948609920	/nfs/dbraw/zinc/60/99/20/948609920.db2.gz	ROQHVPGKWVTDPK-DLBZAZTESA-N	1	0	357.458	1.018	20	30		FDEDRO
C[N@H+](CC(=O)N1CCO[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]21)CC(C)(C)C	ZINC001091061227	948843280	/nfs/dbraw/zinc/84/32/80/948843280.db2.gz	PIASVSBBJHZLAO-DLBZAZTESA-N	1	0	371.485	1.347	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn(C)nc2Cl)C1	ZINC001196162271	971514644	/nfs/dbraw/zinc/51/46/44/971514644.db2.gz	VOBJNFCOZCSQEU-HUUCEWRRSA-N	1	0	354.882	1.524	20	30		FDEDRO
N#CC1(CS(=O)(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)CCCC1	ZINC001196184617	971530876	/nfs/dbraw/zinc/53/08/76/971530876.db2.gz	ZVHQQZQQMZHADA-INIZCTEOSA-N	1	0	355.504	1.633	20	30		FDEDRO
N#CC1(CS(=O)(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)CCCC1	ZINC001196184618	971530988	/nfs/dbraw/zinc/53/09/88/971530988.db2.gz	ZVHQQZQQMZHADA-MRXNPFEDSA-N	1	0	355.504	1.633	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573792996	949276842	/nfs/dbraw/zinc/27/68/42/949276842.db2.gz	HVTNQAYOJKIKNL-ZDUSSCGKSA-N	1	0	353.430	1.136	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC/C=C\c2ccccc2)C[C@H]1O	ZINC001196275526	971601197	/nfs/dbraw/zinc/60/11/97/971601197.db2.gz	FBWYQMBAIWDVRN-HWIYFWRBSA-N	1	0	356.466	1.842	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CN(c2cccc(F)c2C#N)C[C@@H]1O	ZINC001091153962	949740220	/nfs/dbraw/zinc/74/02/20/949740220.db2.gz	UVNOYWBBCNETAM-UXLLHSPISA-N	1	0	366.412	1.043	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N[C@@H]2CN(c3ccncc3C#N)C[C@@H]2O)CCCCC1	ZINC001091165110	949962807	/nfs/dbraw/zinc/96/28/07/949962807.db2.gz	QWKYWIAAGQSTFO-AEFFLSMTSA-N	1	0	371.485	1.131	20	30		FDEDRO
C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[N@H+](C)Cc1ccc(C#N)cc1	ZINC001574976540	950085725	/nfs/dbraw/zinc/08/57/25/950085725.db2.gz	VFIYVQHIAMUTQU-GFCCVEGCSA-N	1	0	364.413	1.317	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ncc(-c2ccccc2)s1	ZINC000845979491	950261570	/nfs/dbraw/zinc/26/15/70/950261570.db2.gz	DAWKLSOXNQBHPF-UHFFFAOYSA-N	1	0	356.451	1.820	20	30		FDEDRO
C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1	ZINC001574746360	950397766	/nfs/dbraw/zinc/39/77/66/950397766.db2.gz	OAIGEQJVQCNQEH-GFCCVEGCSA-N	1	0	364.413	1.317	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1	ZINC000857234756	971663883	/nfs/dbraw/zinc/66/38/83/971663883.db2.gz	MHLAEUDLEDKGDM-LLVKDONJSA-N	1	0	357.398	1.191	20	30		FDEDRO
CS(=O)(=O)N(C(=O)/C=C/C(=O)c1ccccc1)c1ccc(C[NH3+])cc1	ZINC001144710306	950506315	/nfs/dbraw/zinc/50/63/15/950506315.db2.gz	KSYXWBXWHRTSNT-VAWYXSNFSA-N	1	0	358.419	1.877	20	30		FDEDRO
C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1	ZINC001574996712	950534425	/nfs/dbraw/zinc/53/44/25/950534425.db2.gz	OWOLTFMWEHRAHL-JTQLQIEISA-N	1	0	368.376	1.114	20	30		FDEDRO
C[C@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1ccccc1C#N	ZINC001574754765	950581369	/nfs/dbraw/zinc/58/13/69/950581369.db2.gz	PPAKIIPTNHMWRW-GFCCVEGCSA-N	1	0	364.413	1.317	20	30		FDEDRO
N#Cc1cccnc1NCCNC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000846139513	950619656	/nfs/dbraw/zinc/61/96/56/950619656.db2.gz	OSURVQVGJQFFOM-YESZJQIVSA-N	1	0	372.473	1.293	20	30		FDEDRO
COCCN1CCO[C@H]2C[N@@H+]([C@@H](C)Cc3cccc(C#N)c3)CC[C@H]2C1=O	ZINC001171217379	950640261	/nfs/dbraw/zinc/64/02/61/950640261.db2.gz	OZBJHRBRAQBSMH-DBVUQKKJSA-N	1	0	371.481	1.685	20	30		FDEDRO
CC(=O)N1CCO[C@@]2(C1)COCC[N@@H+]([C@@H](C)Cc1cccc(C#N)c1)C2	ZINC001171216734	950690194	/nfs/dbraw/zinc/69/01/94/950690194.db2.gz	KFMXFUQKHFCYNX-JXFKEZNVSA-N	1	0	357.454	1.439	20	30		FDEDRO
CC(=O)N1CCO[C@]2(C1)COCC[N@@H+]([C@H](C)Cc1cccc(C#N)c1)C2	ZINC001171216736	950690459	/nfs/dbraw/zinc/69/04/59/950690459.db2.gz	KFMXFUQKHFCYNX-OXQOHEQNSA-N	1	0	357.454	1.439	20	30		FDEDRO
C[C@H](CNC(=O)c1ccc(C#N)[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1	ZINC001575019316	951035989	/nfs/dbraw/zinc/03/59/89/951035989.db2.gz	SIPITKNZSFTSJQ-SNVBAGLBSA-N	1	0	368.376	1.114	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O	ZINC001196452751	971712197	/nfs/dbraw/zinc/71/21/97/971712197.db2.gz	LTNXGIUYKIXIOC-CHWSQXEVSA-N	1	0	352.397	1.719	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1Nc1ccncc1C#N	ZINC001091259491	951235469	/nfs/dbraw/zinc/23/54/69/951235469.db2.gz	UTUVIJVIFJLPQE-KFKAGJAMSA-N	1	0	371.485	1.183	20	30		FDEDRO
Cc1c(Br)c2ccccc2n1CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N	ZINC000846676004	951440206	/nfs/dbraw/zinc/44/02/06/951440206.db2.gz	AQAUUWHWIKRXIL-YPMHNXCESA-N	1	0	361.243	1.940	20	30		FDEDRO
N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CCOc2ccc(Br)cc21	ZINC000846676284	951440277	/nfs/dbraw/zinc/44/02/77/951440277.db2.gz	CKHGYPZGWIBRAX-CDMKHQONSA-N	1	0	350.216	1.543	20	30		FDEDRO
N#CC1(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)CCOCC1	ZINC001571040147	951661994	/nfs/dbraw/zinc/66/19/94/951661994.db2.gz	NHRBEKRQVMPNSL-UHFFFAOYSA-N	1	0	367.457	1.745	20	30		FDEDRO
CN1C[C@@H]([N@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCC1=O	ZINC000846919992	951694076	/nfs/dbraw/zinc/69/40/76/951694076.db2.gz	JMABHPSHZKSRBA-GJZGRUSLSA-N	1	0	363.421	1.776	20	30		FDEDRO
CN1C[C@H]([N@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCC1=O	ZINC000846919990	951694332	/nfs/dbraw/zinc/69/43/32/951694332.db2.gz	JMABHPSHZKSRBA-CABCVRRESA-N	1	0	363.421	1.776	20	30		FDEDRO
N#Cc1cccnc1C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001196555038	971772275	/nfs/dbraw/zinc/77/22/75/971772275.db2.gz	TUCUEVOUDMHDHB-QZTJIDSGSA-N	1	0	363.421	1.464	20	30		FDEDRO
C#C[C@@H]1CCC[N@@H+](C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1	ZINC000847020948	951774431	/nfs/dbraw/zinc/77/44/31/951774431.db2.gz	GWOOHNBLQIXNNL-QUCCMNQESA-N	1	0	357.498	1.523	20	30		FDEDRO
C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1ccc(C#N)[nH]1	ZINC001575108477	951926341	/nfs/dbraw/zinc/92/63/41/951926341.db2.gz	MZTBZILKLFNSSR-LBPRGKRZSA-N	1	0	364.413	1.317	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)C4=COCCC4)C[C@]3(C)C2)C1=O	ZINC001091537209	951965181	/nfs/dbraw/zinc/96/51/81/951965181.db2.gz	NKRBBWBGFHOOFA-HLIPFELVSA-N	1	0	359.470	1.248	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]1C[N@H+](Cc1ccc(C#N)c(F)c1)C2	ZINC001091538926	951966114	/nfs/dbraw/zinc/96/61/14/951966114.db2.gz	NFYVVAYAXFEKNH-MDYRTPRTSA-N	1	0	370.428	1.256	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2CN(Cc3nc(-c4ccoc4)no3)C[C@@]2(C)C1	ZINC001091546295	951986719	/nfs/dbraw/zinc/98/67/19/951986719.db2.gz	ZVGHUYJAYHFFHH-DFHBCGBQSA-N	1	0	355.398	1.770	20	30		FDEDRO
C[C@]12CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]1C[N@H+](CC(=O)NC1CCCC1)C2	ZINC001091575336	952114868	/nfs/dbraw/zinc/11/48/68/952114868.db2.gz	ZDVKRVJFIGSARN-QRWLVFNGSA-N	1	0	369.469	1.339	20	30		FDEDRO
CCc1nc(C#N)cc(N[C@@H]2CC[C@H](CNC(=O)C[N@H+](C)C(C)C)C2)n1	ZINC001091583109	952139741	/nfs/dbraw/zinc/13/97/41/952139741.db2.gz	GGUAASJIOONDKN-LSDHHAIUSA-N	1	0	358.490	1.948	20	30		FDEDRO
N#Cc1cnccc1N[C@@H]1CC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1	ZINC001091584852	952145257	/nfs/dbraw/zinc/14/52/57/952145257.db2.gz	KROLONWAINOGEA-FUHWJXTLSA-N	1	0	355.486	1.948	20	30		FDEDRO
Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@]3(C)C2)n1	ZINC001091613369	952307379	/nfs/dbraw/zinc/30/73/79/952307379.db2.gz	VKVYUAAFCRIPIG-APWZRJJASA-N	1	0	367.457	1.189	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCO[C@H]3C=C)C2)C1	ZINC001147583479	952444321	/nfs/dbraw/zinc/44/43/21/952444321.db2.gz	QWYZXONXTAFWCB-ZACQAIPSSA-N	1	0	361.486	1.193	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)NC[C@H]2CC[C@@H](Nc3ccc(C#N)nn3)C2)C1	ZINC001091639936	952452516	/nfs/dbraw/zinc/45/25/16/952452516.db2.gz	XBMKGOCQHPMUTL-LSDHHAIUSA-N	1	0	356.474	1.777	20	30		FDEDRO
Cn1nncc1C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@@]2(C)C1	ZINC001091640477	952455911	/nfs/dbraw/zinc/45/59/11/952455911.db2.gz	TZFDNCAEAAHROK-APWZRJJASA-N	1	0	350.426	1.281	20	30		FDEDRO
C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1C[N@@H+]([C@H]1CCN(C3CCC3)C1=O)C2	ZINC001091659255	952518793	/nfs/dbraw/zinc/51/87/93/952518793.db2.gz	IMQODVKSZJJGLF-MMOPVJDHSA-N	1	0	355.482	1.334	20	30		FDEDRO
C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1C[N@H+](Cc1cccc(C(N)=O)c1)C2	ZINC001091659297	952519894	/nfs/dbraw/zinc/51/98/94/952519894.db2.gz	IYPDGXDGKZUBRZ-NQIIRXRSSA-N	1	0	351.450	1.479	20	30		FDEDRO
COc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000772985630	952536059	/nfs/dbraw/zinc/53/60/59/952536059.db2.gz	UDQHPXZFYKKQKV-NIVDNSEKSA-N	1	0	372.425	1.528	20	30		FDEDRO
COc1ccccc1NC(=O)C[C@H](C)[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000772985628	952536169	/nfs/dbraw/zinc/53/61/69/952536169.db2.gz	UDQHPXZFYKKQKV-HVCBDAARSA-N	1	0	372.425	1.528	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3c3ccncc3)C[C@]2(C)C1	ZINC001091680116	952625247	/nfs/dbraw/zinc/62/52/47/952625247.db2.gz	WFWMTTJTMJASNA-BNDYYXHWSA-N	1	0	353.466	1.963	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@]2(C)C1	ZINC001091702464	952669699	/nfs/dbraw/zinc/66/96/99/952669699.db2.gz	ZXKCEEHSBJTTEN-LBTNJELSSA-N	1	0	353.894	1.824	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](C[C@@H](O)COCC(C)C)C2	ZINC001148310708	952679341	/nfs/dbraw/zinc/67/93/41/952679341.db2.gz	KTALOLQRLPXYFJ-KURKYZTESA-N	1	0	366.502	1.145	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C2)C1	ZINC001148277899	952682980	/nfs/dbraw/zinc/68/29/80/952682980.db2.gz	MHKPAGGGWRAKFY-YESZJQIVSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)C4C=CC=CC=C4)C[C@]3(C)C2)C1=O	ZINC001091707440	952693340	/nfs/dbraw/zinc/69/33/40/952693340.db2.gz	VBRXHSUOPYYBKJ-DXIQSLLYSA-N	1	0	367.493	1.852	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC(=O)N(C(CC)CC)C3)C[C@]2(C)C1	ZINC001091709384	952697710	/nfs/dbraw/zinc/69/77/10/952697710.db2.gz	NIJOZKSZTSOTCL-FVJLSDCUSA-N	1	0	359.514	1.827	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cc(-c4ccn(C)c4)n[nH]3)C[C@]2(C)C1	ZINC001091727904	952738867	/nfs/dbraw/zinc/73/88/67/952738867.db2.gz	HFGNJSHVAKAEIO-UZLBHIALSA-N	1	0	351.454	1.832	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)N2CCC[C@@H](C)C2)C1	ZINC001196701022	971868204	/nfs/dbraw/zinc/86/82/04/971868204.db2.gz	NYXCTTXGHRMIMK-BRWVUGGUSA-N	1	0	353.507	1.377	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ccc(F)cn3)C[C@@]2(C)C1	ZINC001091748823	952795430	/nfs/dbraw/zinc/79/54/30/952795430.db2.gz	WZKZRULKSRWHOW-PBEJRMEISA-N	1	0	370.472	1.599	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)N2CCC[C@@H](C)C2)C1	ZINC001196700593	971867384	/nfs/dbraw/zinc/86/73/84/971867384.db2.gz	HXILFLPKNLRDBT-BRWVUGGUSA-N	1	0	351.491	1.153	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc(C)n3CC)C2)cn1	ZINC001086857841	952877229	/nfs/dbraw/zinc/87/72/29/952877229.db2.gz	ZTNHJRZRHOPSMM-MAUKXSAKSA-N	1	0	366.469	1.671	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3[nH]cnc3CC)C2)C1=O	ZINC001086865368	952895476	/nfs/dbraw/zinc/89/54/76/952895476.db2.gz	OVWLEHOKFMUHHQ-SQWLQELKSA-N	1	0	359.474	1.247	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3nnc(C)n3C2)C1	ZINC001086881994	952913340	/nfs/dbraw/zinc/91/33/40/952913340.db2.gz	VMYKSGBJKPIAHH-RRFJBIMHSA-N	1	0	351.882	1.776	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(C)=O)C[C@H]2c2cnn(C)c2)cc1C#N	ZINC001086958928	952955434	/nfs/dbraw/zinc/95/54/34/952955434.db2.gz	IQKFCJGDUXTTCG-ZWKOTPCHSA-N	1	0	353.426	1.404	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCC2CCOCC2)C1	ZINC001086971658	952974818	/nfs/dbraw/zinc/97/48/18/952974818.db2.gz	YMVIKKCJRGDUTJ-FHLIZLRMSA-N	1	0	359.474	1.280	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(F)cc2F)C[C@H]1c1cnn(C)c1	ZINC001086979463	952993037	/nfs/dbraw/zinc/99/30/37/952993037.db2.gz	AMWYKTDLGAHPST-FUHWJXTLSA-N	1	0	358.392	1.458	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCO[C@H]2C(C)C)C[C@H]1c1cnn(C)c1	ZINC001086979886	952993910	/nfs/dbraw/zinc/99/39/10/952993910.db2.gz	YEDUBOQXNAFHJL-OKYOBFRVSA-N	1	0	358.486	1.389	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)C=C(C)C)C[C@H]2c2cnn(C)c2)C1=O	ZINC001086965014	952993959	/nfs/dbraw/zinc/99/39/59/952993959.db2.gz	LAGUNZWRSPKARU-OKZBNKHCSA-N	1	0	371.485	1.057	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2sc3nccn3c2C)C[C@H]1c1cnn(C)c1	ZINC001086983119	952996501	/nfs/dbraw/zinc/99/65/01/952996501.db2.gz	XYSRWFCLTFHAEE-LSDHHAIUSA-N	1	0	368.466	1.269	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3oc(=O)[nH]c3c2)C[C@H]1c1cnn(C)c1	ZINC001086983286	952996788	/nfs/dbraw/zinc/99/67/88/952996788.db2.gz	GOJDSGYEJRMFOH-GOEBONIOSA-N	1	0	365.393	1.098	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(OCC)n[nH]2)C[C@H]1c1cnn(C)c1	ZINC001086984053	952998322	/nfs/dbraw/zinc/99/83/22/952998322.db2.gz	XBRAMFYRHQVQJG-GOEBONIOSA-N	1	0	358.446	1.316	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2c(C)n[nH]c2C)C[C@H]1c1cnn(C)c1	ZINC001086984818	952999447	/nfs/dbraw/zinc/99/94/47/952999447.db2.gz	FUGRMGKKCSGVLO-JEBQAFNWSA-N	1	0	368.485	1.471	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C(=O)Nc2ccccc2)C[C@H]1c1cnn(C)c1	ZINC001086986030	953004759	/nfs/dbraw/zinc/00/47/59/953004759.db2.gz	RNUQCJBCKMJPLM-DLBZAZTESA-N	1	0	353.426	1.129	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn3ccc(C)cc3n2)C[C@H]1c1cnn(C)c1	ZINC001086986192	953005208	/nfs/dbraw/zinc/00/52/08/953005208.db2.gz	BIGXOCZBNJTWNR-DLBZAZTESA-N	1	0	364.453	1.760	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCc2c(C)nn(C)c2C)C[C@H]1c1cnn(C)c1	ZINC001086990349	953017253	/nfs/dbraw/zinc/01/72/53/953017253.db2.gz	YBFGNDUFDLECKN-RBUKOAKNSA-N	1	0	370.501	1.473	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cn2ccc(C)n2)C[C@H]1c1cnn(C)c1	ZINC001086980987	953031546	/nfs/dbraw/zinc/03/15/46/953031546.db2.gz	ICKMRGRSMUUCDD-ZYSHUDEJSA-N	1	0	370.501	1.721	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cnc(C)nc2OC)C[C@H]1c1cnn(C)c1	ZINC001086982107	953034976	/nfs/dbraw/zinc/03/49/76/953034976.db2.gz	UBMOIBJHBUWRPN-DLBZAZTESA-N	1	0	370.457	1.301	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCn3cccn3)C2)C1	ZINC001086996258	953036285	/nfs/dbraw/zinc/03/62/85/953036285.db2.gz	WFWVPABRAHZSDS-ZWKOTPCHSA-N	1	0	368.485	1.557	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C)c2)C[C@H]1O	ZINC001196692170	971891717	/nfs/dbraw/zinc/89/17/17/971891717.db2.gz	XBKVVYKQZRRCMH-GUDVDZBRSA-N	1	0	359.470	1.127	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3cnccc3n2)C[C@H]1c1cnn(C)c1	ZINC001086999237	953046493	/nfs/dbraw/zinc/04/64/93/953046493.db2.gz	YMHVGWGHPLNBKD-QFBILLFUSA-N	1	0	362.437	1.747	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cnc3cccnn32)C[C@H]1c1cnn(C)c1	ZINC001087000676	953051434	/nfs/dbraw/zinc/05/14/34/953051434.db2.gz	JHMJCTRMXOWRGS-JKSUJKDBSA-N	1	0	365.441	1.237	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc([C@@H](C)CC)no2)C[C@H]1c1cnn(C)c1	ZINC001087000649	953051450	/nfs/dbraw/zinc/05/14/50/953051450.db2.gz	HVKJEIFFLZVSDE-JLJPHGGASA-N	1	0	355.442	1.753	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(OC)cc2F)C[C@H]1c1cnn(C)c1	ZINC001087004201	953061757	/nfs/dbraw/zinc/06/17/57/953061757.db2.gz	LBCKIBCAEDMQQO-PKOBYXMFSA-N	1	0	370.428	1.328	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccnn2C)C1	ZINC001086995034	953066500	/nfs/dbraw/zinc/06/65/00/953066500.db2.gz	IXLTULUPPSCTGK-NLWGTHIKSA-N	1	0	370.501	1.840	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cccnc2OC)C[C@H]1c1cnn(C)c1	ZINC001086994834	953066696	/nfs/dbraw/zinc/06/66/96/953066696.db2.gz	WBYYHUMEKLKWSF-DLBZAZTESA-N	1	0	355.442	1.598	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2cccnc2)C[C@H]1c1cnn(C)c1	ZINC001086995644	953068405	/nfs/dbraw/zinc/06/84/05/953068405.db2.gz	OIZRRNXKHFJTQB-AYOQOUSVSA-N	1	0	369.469	1.743	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC3(CCC3)CO2)C[C@H]1c1cnn(C)c1	ZINC001087006527	953090642	/nfs/dbraw/zinc/09/06/42/953090642.db2.gz	HIUKPKNCJQXXKC-GBESFXJTSA-N	1	0	370.497	1.677	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(OC)cc(OC)c2)C[C@H]1c1cnn(C)c1	ZINC001087006909	953091245	/nfs/dbraw/zinc/09/12/45/953091245.db2.gz	BBAHMLIPDOKVAQ-RBUKOAKNSA-N	1	0	370.453	1.821	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccccc2Cl)C[C@H]1c1cnn(C)c1	ZINC001087008649	953095799	/nfs/dbraw/zinc/09/57/99/953095799.db2.gz	QTXZYVUOFNSNGK-FUHWJXTLSA-N	1	0	356.857	1.833	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ncc3n2CCCC3)C[C@H]1c1cnn(C)c1	ZINC001087009928	953100134	/nfs/dbraw/zinc/10/01/34/953100134.db2.gz	FZNCHVUVUXLIQQ-DLBZAZTESA-N	1	0	354.458	1.337	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH]nc3C2)C[C@H]1c1cnn(C)c1	ZINC001087010119	953100696	/nfs/dbraw/zinc/10/06/96/953100696.db2.gz	MROIOSLWCROOCO-RPVQJOFSSA-N	1	0	354.458	1.018	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2ccccc2)C[C@H]1c1cnn(C)c1	ZINC001087010473	953101391	/nfs/dbraw/zinc/10/13/91/953101391.db2.gz	CBBSVCDVGFYZPQ-LSTHTHJFSA-N	1	0	350.466	1.816	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)OC)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001087031437	953127702	/nfs/dbraw/zinc/12/77/02/953127702.db2.gz	BLDWNBAXKILZBT-FDQGKXFDSA-N	1	0	363.433	1.685	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H]2CCCO2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087022963	953138144	/nfs/dbraw/zinc/13/81/44/953138144.db2.gz	NLLIGVFPENXGKX-CEXWTWQISA-N	1	0	357.454	1.690	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1ccc(Cl)nc1	ZINC001087035462	953145116	/nfs/dbraw/zinc/14/51/16/953145116.db2.gz	BDXOIGAFZFNJGK-BPLDGKMQSA-N	1	0	350.850	1.848	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001087035656	953145719	/nfs/dbraw/zinc/14/57/19/953145719.db2.gz	IVGHAYDPXMJWCH-MZMPZRCHSA-N	1	0	358.417	1.810	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCc2nc(C3CC3)no2)C1	ZINC001196739517	971901895	/nfs/dbraw/zinc/90/18/95/971901895.db2.gz	OZSVCVMRNROAAR-FVQBIDKESA-N	1	0	362.474	1.786	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1nnc(CC)s1	ZINC001087053330	953185810	/nfs/dbraw/zinc/18/58/10/953185810.db2.gz	JNVGAEOLAYOKPA-HUUCEWRRSA-N	1	0	362.499	1.467	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+][C@@H](C)c1nnc(C)[nH]1	ZINC001087046144	953193173	/nfs/dbraw/zinc/19/31/73/953193173.db2.gz	MYZLJTZFXZROSZ-NORZTCDRSA-N	1	0	371.445	1.141	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nncn3C)[C@H](OCC)C2)cc1	ZINC001087071590	953225885	/nfs/dbraw/zinc/22/58/85/953225885.db2.gz	XDUKVWOITFRMOK-QZTJIDSGSA-N	1	0	367.453	1.063	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H]2OCC[C@H]2C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087084421	953244424	/nfs/dbraw/zinc/24/44/24/953244424.db2.gz	AEEUVXGOPRGOFO-XLNTUCKNSA-N	1	0	371.481	1.936	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](C[NH2+]Cc2cn(CC)nn2)[C@H](OCC)C1	ZINC001087080117	953265396	/nfs/dbraw/zinc/26/53/96/953265396.db2.gz	VXWIWHAUGKFVAU-SUMDDJOVSA-N	1	0	363.506	1.853	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C(C)(C)C)C[C@H]2OCC)C1=O	ZINC001087098474	953267943	/nfs/dbraw/zinc/26/79/43/953267943.db2.gz	XBLSTRMZQUJWCU-BZUAXINKSA-N	1	0	351.491	1.273	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cnc(C)o3)[C@H](OCC)C2)nc1	ZINC001087097522	953284873	/nfs/dbraw/zinc/28/48/73/953284873.db2.gz	VBWGRJBNKVTWIN-VQIMIIECSA-N	1	0	368.437	1.626	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)CS(=O)(=O)C3CCCC3)C[C@]2(C)C1	ZINC001091787125	953305946	/nfs/dbraw/zinc/30/59/46/953305946.db2.gz	RRPHAKQHUMSJND-QAPCUYQASA-N	1	0	352.500	1.147	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CCN1c1ccc(C#N)nn1	ZINC001091787052	953306010	/nfs/dbraw/zinc/30/60/10/953306010.db2.gz	ZJWKLPSEYBCEHE-DLBZAZTESA-N	1	0	356.474	1.698	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)COCC[NH+](C)C)CCN1c1ccc(C#N)c(C)n1	ZINC001091793760	953317796	/nfs/dbraw/zinc/31/77/96/953317796.db2.gz	XYRXCYHYIDJIRA-DLBZAZTESA-N	1	0	359.474	1.313	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc4c(cc[nH]c4=O)n3)C[C@]2(C)C1	ZINC001091799788	953328199	/nfs/dbraw/zinc/32/81/99/953328199.db2.gz	GCRLSSIZQIOTOY-VLIAUNLRSA-N	1	0	350.422	1.753	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(c3ccc(C#N)c(C)n3)C[C@H]2C1	ZINC001091860245	953583803	/nfs/dbraw/zinc/58/38/03/953583803.db2.gz	MEZBZQIAKBGLQD-MSOLQXFVSA-N	1	0	355.486	1.888	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@@H]3C2)n1	ZINC001091870444	953626604	/nfs/dbraw/zinc/62/66/04/953626604.db2.gz	SGGIBSLJYIKTSR-CABCVRRESA-N	1	0	356.474	1.147	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3CCNC3=O)C[C@H]1C[N@H+](Cc1ccc(C#N)c(F)c1)C2	ZINC001091910529	953696825	/nfs/dbraw/zinc/69/68/25/953696825.db2.gz	AKLUPRAOZIMGPI-GUXCAODWSA-N	1	0	370.428	1.114	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)C3CCN(CC(F)F)CC3)C[C@]2(C)C1	ZINC001091956608	953849005	/nfs/dbraw/zinc/84/90/05/953849005.db2.gz	HCLQQXWKDQNWKZ-APWZRJJASA-N	1	0	353.457	1.767	20	30		FDEDRO
Cn1cc(C(=O)N2C[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@@]3(C)C2)[nH]c1=O	ZINC001091979155	953975464	/nfs/dbraw/zinc/97/54/64/953975464.db2.gz	SOPCTTZVSQJLEY-UZLBHIALSA-N	1	0	365.437	1.591	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cc(CN4CCCC4)on3)C[C@]2(C)C1	ZINC001092016302	954067572	/nfs/dbraw/zinc/06/75/72/954067572.db2.gz	LCIGSRBWJDNLNP-UZLBHIALSA-N	1	0	356.470	1.688	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@H]2C)n1	ZINC001092021961	954093873	/nfs/dbraw/zinc/09/38/73/954093873.db2.gz	WWRFEVNXXCBKEG-HNJNHCNJSA-N	1	0	356.474	1.334	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CCN1c1ncccc1C#N	ZINC001092024801	954106158	/nfs/dbraw/zinc/10/61/58/954106158.db2.gz	APPPHNJTECPUQW-QAPCUYQASA-N	1	0	364.453	1.958	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CCN1c1nccnc1C#N	ZINC001092025048	954108174	/nfs/dbraw/zinc/10/81/74/954108174.db2.gz	IJZDJFIIFALORX-ZBFHGGJFSA-N	1	0	365.441	1.353	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3ccc(OC)nc3)C[C@@]2(C)C1	ZINC001092029783	954128242	/nfs/dbraw/zinc/12/82/42/954128242.db2.gz	HLSJVQQHTCKAGO-WIRSXHRWSA-N	1	0	371.481	1.962	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)C3(N4CCOCC4)CCCC3)C[C@]2(C)C1	ZINC001092062968	954182181	/nfs/dbraw/zinc/18/21/81/954182181.db2.gz	FCMWTNKVILEVSN-QUCCMNQESA-N	1	0	361.530	1.988	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@H]3C[N@@H+]([C@@H](CC)C(N)=O)C[C@@]3(C)C2)cc1	ZINC001092077493	954223518	/nfs/dbraw/zinc/22/35/18/954223518.db2.gz	ARVAOBSOSAWJIB-MMOPVJDHSA-N	1	0	369.465	1.356	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCc3ccnn3C)C[C@@]2(C)C1	ZINC001092090362	954250751	/nfs/dbraw/zinc/25/07/51/954250751.db2.gz	NHNVBDKXZVWZFS-SAJDGTNDSA-N	1	0	372.513	1.724	20	30		FDEDRO
C[C@]12CN(C(=O)c3nc[nH]n3)C[C@H]1C[N@H+](CC#Cc1cccc(Cl)c1)C2	ZINC001092110333	954340216	/nfs/dbraw/zinc/34/02/16/954340216.db2.gz	DTGSRNVUFWMNFU-BEFAXECRSA-N	1	0	369.856	1.904	20	30		FDEDRO
C[C@]12CN(C(=O)c3cnon3)C[C@H]1C[N@H+](Cc1ccc(C#N)c(F)c1)C2	ZINC001092116088	954352369	/nfs/dbraw/zinc/35/23/69/954352369.db2.gz	PBTFOYOALBYPJF-KDOFPFPSSA-N	1	0	355.373	1.674	20	30		FDEDRO
Cc1nonc1CC(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@]2(C)C1	ZINC001092155302	954407586	/nfs/dbraw/zinc/40/75/86/954407586.db2.gz	NRCNOJJQUOBQLA-XLIONFOSSA-N	1	0	365.437	1.773	20	30		FDEDRO
C=C(Cl)CN1C[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@]2(C)C1	ZINC001092143233	954452507	/nfs/dbraw/zinc/45/25/07/954452507.db2.gz	CDBJWMKVZVXVIC-QAPCUYQASA-N	1	0	355.910	1.630	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H]3CN(C(=O)C[N@H+](C)C(C)C)C[C@]3(C)C2)n1	ZINC001092291865	954890073	/nfs/dbraw/zinc/89/00/73/954890073.db2.gz	MTFLZFUBEBGZQG-QRWLVFNGSA-N	1	0	370.501	1.536	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1C[C@H]2CN(c3ccc(C#N)nc3)C[C@@]2(C)C1	ZINC001092293606	954901086	/nfs/dbraw/zinc/90/10/86/954901086.db2.gz	OWVOANQGVVKCFA-UZLBHIALSA-N	1	0	355.486	1.970	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1C[C@H]2CN(c3snc(C)c3C#N)C[C@@]2(C)C1	ZINC001092296719	954908262	/nfs/dbraw/zinc/90/82/62/954908262.db2.gz	CNFKUZVFRMHCLU-KBXCAEBGSA-N	1	0	361.515	1.950	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C2)n1	ZINC001092386649	954985027	/nfs/dbraw/zinc/98/50/27/954985027.db2.gz	HJJWXGLTJLJWAG-GDBMZVCRSA-N	1	0	358.490	1.577	20	30		FDEDRO
C[C@@H]1CN(c2ccncc2C#N)C[C@H]1CNC(=O)C[NH+]1CCC(C)CC1	ZINC001092393585	954996062	/nfs/dbraw/zinc/99/60/62/954996062.db2.gz	FOPFKIKHCIUXCF-SJLPKXTDSA-N	1	0	355.486	1.874	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1	ZINC001092394864	954997632	/nfs/dbraw/zinc/99/76/32/954997632.db2.gz	MZEBOXADGNADGI-HZPDHXFCSA-N	1	0	371.485	1.253	20	30		FDEDRO
C[C@@H]1CN(c2ccncc2C#N)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1	ZINC001092395395	954999228	/nfs/dbraw/zinc/99/92/28/954999228.db2.gz	YDKIMAKPFSXSDW-NVXWUHKLSA-N	1	0	371.485	1.253	20	30		FDEDRO
C[C@@H](C(=O)NC[C@@H]1CN(c2nccnc2C#N)C[C@H]1C)[NH+]1CCCCCC1	ZINC001092404841	955025665	/nfs/dbraw/zinc/02/56/65/955025665.db2.gz	CIBBTGQCCRVVOZ-IXDOHACOSA-N	1	0	370.501	1.801	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@H](C)C2)n1	ZINC001092434752	955089249	/nfs/dbraw/zinc/08/92/49/955089249.db2.gz	KBAZQXBXWNFJKJ-RHSMWYFYSA-N	1	0	355.486	1.792	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1	ZINC001092410648	955137467	/nfs/dbraw/zinc/13/74/67/955137467.db2.gz	RSSRDDUMINDOBN-GDBMZVCRSA-N	1	0	356.474	1.269	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)c1nccnc1N	ZINC001092514351	955297506	/nfs/dbraw/zinc/29/75/06/955297506.db2.gz	HAWKJIAUPYSJJX-IUODEOHRSA-N	1	0	368.416	1.567	20	30		FDEDRO
C[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC001092526812	955332619	/nfs/dbraw/zinc/33/26/19/955332619.db2.gz	BVCLFSOSKQMGHE-DDUZABMNSA-N	1	0	369.469	1.337	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)cn1	ZINC001092552284	955410405	/nfs/dbraw/zinc/41/04/05/955410405.db2.gz	PRTYTIUWMOTNIV-CZUORRHYSA-N	1	0	353.426	1.788	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC001092530572	955488633	/nfs/dbraw/zinc/48/86/33/955488633.db2.gz	FBWAQAFIRXMTBU-GDBMZVCRSA-N	1	0	365.437	1.823	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@@H]1CCNC(=O)C1	ZINC001092537221	955519546	/nfs/dbraw/zinc/51/95/46/955519546.db2.gz	YLQDEIZJBAUAFO-IIDMSEBBSA-N	1	0	354.454	1.269	20	30		FDEDRO
CCn1nncc1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C	ZINC001092588686	955562546	/nfs/dbraw/zinc/56/25/46/955562546.db2.gz	IYKDAHBXQYBDJH-RHSMWYFYSA-N	1	0	352.442	1.668	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C	ZINC001092595637	955591168	/nfs/dbraw/zinc/59/11/68/955591168.db2.gz	XGIWAUOSYMASOM-ZACQAIPSSA-N	1	0	370.501	1.801	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCC[C@@H]2CN(c3ccncc3C#N)C[C@H]2C)CC[N@@H+]1C	ZINC001092598394	955604515	/nfs/dbraw/zinc/60/45/15/955604515.db2.gz	ZUGYOCJHCTTWCO-YFHUEUNASA-N	1	0	355.486	1.872	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](CCNC(=O)[C@H]3CCCC[N@@H+]3C)C2)n1	ZINC001092599019	955608404	/nfs/dbraw/zinc/60/84/04/955608404.db2.gz	KVDWEWRCWUJYMH-QGPMSJSTSA-N	1	0	370.501	1.720	20	30		FDEDRO
Cc1cc(C#N)nc(N2CC[C@@]3(CNC(=O)C[N@@H+](C)C(C)C)CCC[C@@H]23)n1	ZINC001092698385	956075876	/nfs/dbraw/zinc/07/58/76/956075876.db2.gz	UUTGQMOSEIOJGS-YLJYHZDGSA-N	1	0	370.501	1.862	20	30		FDEDRO
CC(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1N(c1ccnc(C#N)n1)CC2)[NH+](C)C	ZINC001092701075	956093151	/nfs/dbraw/zinc/09/31/51/956093151.db2.gz	SADKMWKHRFNOQQ-MOXGXCLJSA-N	1	0	370.501	1.800	20	30		FDEDRO
CC[C@H](C(=O)NC[C@]12CCC[C@H]1N(c1ccnc(C#N)n1)CC2)[NH+](C)C	ZINC001092701444	956093704	/nfs/dbraw/zinc/09/37/04/956093704.db2.gz	BEHZIGNOBQVZNB-SPYBWZPUSA-N	1	0	356.474	1.554	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1C	ZINC001092703474	956106459	/nfs/dbraw/zinc/10/64/59/956106459.db2.gz	AWTTYSFRGDLSBP-IAQYHMDHSA-N	1	0	371.416	1.932	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1N(c1cnc(C#N)cn1)CC2	ZINC001092709159	956136331	/nfs/dbraw/zinc/13/63/31/956136331.db2.gz	ORWXVNFGAZOHSW-OXQOHEQNSA-N	1	0	370.501	1.944	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)NC[C@]23CCC[C@H]2N(c2nccnc2C#N)CC3)C1	ZINC001092714274	956159754	/nfs/dbraw/zinc/15/97/54/956159754.db2.gz	FDHZLLYOVCDBMX-XAUMDUMWSA-N	1	0	368.485	1.555	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)[C@H](C)C1	ZINC001092687834	956189871	/nfs/dbraw/zinc/18/98/71/956189871.db2.gz	SOTWUPPLUDAAGK-RWQQGDIJSA-N	1	0	358.486	1.595	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cc(OC)ccn2)C[C@H]1C	ZINC001092688830	956192972	/nfs/dbraw/zinc/19/29/72/956192972.db2.gz	BYOOCVBOOFVHIK-HLIPFELVSA-N	1	0	370.497	1.372	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1C	ZINC001092689560	956196453	/nfs/dbraw/zinc/19/64/53/956196453.db2.gz	MGKDVTUIBIZZLT-UIFIKXQLSA-N	1	0	369.509	1.461	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cc(C3CC3)no2)C[C@H]1C	ZINC001092689938	956199031	/nfs/dbraw/zinc/19/90/31/956199031.db2.gz	SYWVRTWGGLNQLD-MDYRTPRTSA-N	1	0	370.497	1.834	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@H]1OCCO[C@H]1C	ZINC001092690718	956202536	/nfs/dbraw/zinc/20/25/36/956202536.db2.gz	UKNRITHYCQQYBP-OHQAAIJDSA-N	1	0	357.454	1.546	20	30		FDEDRO
C=CCOc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]2C)cc1	ZINC001092740550	956236644	/nfs/dbraw/zinc/23/66/44/956236644.db2.gz	QFQDFUFRESDZJQ-KYJSFNMBSA-N	1	0	357.454	1.438	20	30		FDEDRO
CN1CCC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC#Cc2ccccc2)C3)C1=O	ZINC001110135597	956315993	/nfs/dbraw/zinc/31/59/93/956315993.db2.gz	LCPUWPJWXVVLAP-FUMNGEBKSA-N	1	0	365.477	1.771	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)cn1	ZINC001092837619	956451308	/nfs/dbraw/zinc/45/13/08/956451308.db2.gz	RJCBOPYHWKEVPU-BGTYHANMSA-N	1	0	369.469	1.147	20	30		FDEDRO
N#Cc1nccnc1N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2	ZINC001092838577	956454159	/nfs/dbraw/zinc/45/41/59/956454159.db2.gz	RSCRPQWTDHEXNE-RYRKJORJSA-N	1	0	368.485	1.840	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3ncc(C)cc3C)[C@H](C)C2)C1=O	ZINC001092844072	956476037	/nfs/dbraw/zinc/47/60/37/956476037.db2.gz	OHIXCQLXDRBUKQ-KZNAEPCWSA-N	1	0	370.497	1.783	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CN=Nc2ccccc2S(N)(=O)=O)cc1	ZINC000773122687	956581994	/nfs/dbraw/zinc/58/19/94/956581994.db2.gz	KQSVQURGVHXFQU-UHFFFAOYSA-N	1	0	362.455	1.720	20	30		FDEDRO
Cc1nn[nH]c1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1C	ZINC001092874778	956616745	/nfs/dbraw/zinc/61/67/45/956616745.db2.gz	ZIEJTRLYFOJMAQ-IAQYHMDHSA-N	1	0	356.405	1.622	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2cnn(C)c2)C1	ZINC001197349103	972202523	/nfs/dbraw/zinc/20/25/23/972202523.db2.gz	CFPGFKPXPDPFBB-CGTJXYLNSA-N	1	0	350.507	1.730	20	30		FDEDRO
Cc1ccc(C#N)c(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C3)n1	ZINC001092886400	956672610	/nfs/dbraw/zinc/67/26/10/956672610.db2.gz	JICBJLGKVYBNJV-VSZNYVQBSA-N	1	0	353.470	1.828	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)c1c[nH]c(=O)n1C	ZINC001092886628	956674355	/nfs/dbraw/zinc/67/43/55/956674355.db2.gz	XXBGDQCPNLNTJA-CZUORRHYSA-N	1	0	353.426	1.495	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2c[nH]nc2[C@H]2CCOC2)[C@H](C)C1	ZINC001092857799	956709098	/nfs/dbraw/zinc/70/90/98/956709098.db2.gz	OGIZSLHUEJXZEO-KWCYVHTRSA-N	1	0	352.866	1.964	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncc(C#N)cc1F)[NH+](C)C	ZINC001092862250	956724719	/nfs/dbraw/zinc/72/47/19/956724719.db2.gz	KDDAPZSQQXHWGI-BSWAZPDLSA-N	1	0	359.449	1.904	20	30		FDEDRO
CCc1nc(C#N)cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+](C)C)C3)n1	ZINC001092907728	956742599	/nfs/dbraw/zinc/74/25/99/956742599.db2.gz	JYEOFWZJJVKFRB-PMPSAXMXSA-N	1	0	356.474	1.478	20	30		FDEDRO
C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ncc(C#N)cc2F)CCC1	ZINC001092891736	956806091	/nfs/dbraw/zinc/80/60/91/956806091.db2.gz	YGKMJHWKEUZJRW-KBMXLJTQSA-N	1	0	357.433	1.803	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)c3ocnc3CC)[C@H](C)C2)C1=O	ZINC001092950743	956879608	/nfs/dbraw/zinc/87/96/08/956879608.db2.gz	AIEWQUCRAGUNRF-IIAWOOMASA-N	1	0	360.458	1.322	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[N@H+]([C@@H]3CCN(CC=C)C3=O)C[C@H]2C)c1	ZINC001092952196	956884644	/nfs/dbraw/zinc/88/46/44/956884644.db2.gz	JTHOVEYZADMJTC-ATZDWAIDSA-N	1	0	366.465	1.148	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@H]1CCCCC(=O)N1	ZINC001092959371	956910015	/nfs/dbraw/zinc/91/00/15/956910015.db2.gz	GLQIQWFOQVBZJS-ATZDWAIDSA-N	1	0	368.481	1.801	20	30		FDEDRO
Cc1nsc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)c1C#N	ZINC001092994171	957080488	/nfs/dbraw/zinc/08/04/88/957080488.db2.gz	ICDQVVZTLLJZQB-YUELXQCFSA-N	1	0	363.487	1.127	20	30		FDEDRO
Cc1ccc(C#N)c(N2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)n1	ZINC001092994756	957082630	/nfs/dbraw/zinc/08/26/30/957082630.db2.gz	VBQKTFLBMVLPTD-ZACQAIPSSA-N	1	0	357.458	1.066	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1	ZINC001093019160	957146099	/nfs/dbraw/zinc/14/60/99/957146099.db2.gz	WCIXESZDLNLGEJ-FPCVCCKLSA-N	1	0	360.437	1.254	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)c1cnn(C)n1	ZINC001093051751	957225238	/nfs/dbraw/zinc/22/52/38/957225238.db2.gz	GTADYOBLUSXAOV-IUODEOHRSA-N	1	0	356.405	1.324	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](CCOC3CCC3)C[C@H]2C)nn1	ZINC001093040056	957263701	/nfs/dbraw/zinc/26/37/01/957263701.db2.gz	FZFIOSOAEMSTPH-HZPDHXFCSA-N	1	0	361.490	1.721	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3cn(C)nc3C)C[C@H]2C)nn1	ZINC001093040498	957265084	/nfs/dbraw/zinc/26/50/84/957265084.db2.gz	QVMWQLUWIYXTKG-GDBMZVCRSA-N	1	0	371.489	1.394	20	30		FDEDRO
CCc1nc(C#N)cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@H+](C)C2CCC2)C3)n1	ZINC001093058208	957279039	/nfs/dbraw/zinc/27/90/39/957279039.db2.gz	RKCOHRMTNYXOSG-ZACQAIPSSA-N	1	0	368.485	1.621	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)c1ncccn1	ZINC001093071916	957328058	/nfs/dbraw/zinc/32/80/58/957328058.db2.gz	NRMBJONDYVFELT-CZUORRHYSA-N	1	0	353.401	1.985	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3nc(C)oc3C)[C@H](C)C2)C1=O	ZINC001093080284	957349912	/nfs/dbraw/zinc/34/99/12/957349912.db2.gz	WLAQWFAFXNFBTI-DAXOMENPSA-N	1	0	360.458	1.376	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)[C@H](C)C1	ZINC001093089151	957514009	/nfs/dbraw/zinc/51/40/09/957514009.db2.gz	AHNJAAHRUJRQIK-VHDGCEQUSA-N	1	0	367.881	1.365	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1CN(c1nccnc1C#N)C2	ZINC001093091139	957532159	/nfs/dbraw/zinc/53/21/59/957532159.db2.gz	ANKQWIBWEHQIMP-KXBFYZLASA-N	1	0	356.474	1.555	20	30		FDEDRO
C[NH+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2ccc(C#N)nc2)C1	ZINC001093115671	957557988	/nfs/dbraw/zinc/55/79/88/957557988.db2.gz	MPYOVYCNWZFKSY-ZIAGYGMSSA-N	1	0	355.364	1.706	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(CNc2ccc(C#N)nn2)C1	ZINC001093125007	957590605	/nfs/dbraw/zinc/59/06/05/957590605.db2.gz	VQRNMDSJBRDMPB-KXBFYZLASA-N	1	0	356.474	1.731	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCN(C(C)=O)C2)C1	ZINC001197535989	972279000	/nfs/dbraw/zinc/27/90/00/972279000.db2.gz	GUXPOJOQGUBXQC-ZHALLVOQSA-N	1	0	351.491	1.153	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCN(C(C)=O)C2)C1	ZINC001197536286	972279766	/nfs/dbraw/zinc/27/97/66/972279766.db2.gz	RBQSNAYLTLJTOT-LMMKCTJWSA-N	1	0	353.507	1.377	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3cccc(OC)n3)C[C@H]2C)nc1	ZINC001093137762	957630226	/nfs/dbraw/zinc/63/02/26/957630226.db2.gz	JGLZKNBRNIKNFO-NVXWUHKLSA-N	1	0	364.449	1.964	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCO[C@@H]3CC3(F)F)C[C@H]2C)cn1	ZINC001093142794	957639839	/nfs/dbraw/zinc/63/98/39/957639839.db2.gz	CQWMPXWEIXFFDG-FRFSOERESA-N	1	0	363.408	1.785	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)c3ccccc3OC)[C@H](C)C2)C1=O	ZINC001093149896	957652362	/nfs/dbraw/zinc/65/23/62/957652362.db2.gz	LRSOXDTUWXVSER-JFIYKMOQSA-N	1	0	371.481	1.780	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](CNC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)[C@H](C)C1	ZINC001093131070	957675444	/nfs/dbraw/zinc/67/54/44/957675444.db2.gz	FVZJQLSZTXTIRS-VXGBXAGGSA-N	1	0	350.419	1.160	20	30		FDEDRO
COc1c(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)cnn1C	ZINC001093162354	957708268	/nfs/dbraw/zinc/70/82/68/957708268.db2.gz	GNTPTDMRETXZNX-RHSMWYFYSA-N	1	0	367.453	1.798	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)c1ccn(C)n1	ZINC001093195731	957759133	/nfs/dbraw/zinc/75/91/33/957759133.db2.gz	VKUSUBSCRNPUBV-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C	ZINC001093233912	957875656	/nfs/dbraw/zinc/87/56/56/957875656.db2.gz	YSIMPCKDVKUCSH-CDHQVMDDSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)/C=C/c3ccc[nH]3)C[C@H]2C)C1=O	ZINC001093274054	957944014	/nfs/dbraw/zinc/94/40/14/957944014.db2.gz	KMQVANWBRQVJQE-VTTNGFJVSA-N	1	0	370.497	1.889	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H]3CCCNC3=O)C2)cc1	ZINC001093280142	957955227	/nfs/dbraw/zinc/95/52/27/957955227.db2.gz	DWTJNVGGZKPKKH-LZQZEXGQSA-N	1	0	353.466	1.634	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H]3CCC(=O)NC3=O)C2)cc1	ZINC001093281753	957960307	/nfs/dbraw/zinc/96/03/07/957960307.db2.gz	UUXNGPIOLCOBIF-ZTFGCOKTSA-N	1	0	367.449	1.161	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(n2cc(C[NH2+]CC3CCC3)nn2)C1	ZINC001093340347	958006298	/nfs/dbraw/zinc/00/62/98/958006298.db2.gz	CQOHFLHHBHOYOL-ROUUACIJSA-N	1	0	359.474	1.532	20	30		FDEDRO
C#CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2OCCO[C@H]2C)CC1	ZINC001093370890	958013838	/nfs/dbraw/zinc/01/38/38/958013838.db2.gz	GQKHETBTWHVVGT-YTQUADARSA-N	1	0	360.498	1.907	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc[n+]([O-])cc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093426058	958039568	/nfs/dbraw/zinc/03/95/68/958039568.db2.gz	AXHVTQZLRIQZHK-XSYGEPLQSA-N	1	0	359.470	1.476	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccncc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001093452384	958053540	/nfs/dbraw/zinc/05/35/40/958053540.db2.gz	HYORNVNFTRALBS-WERVVEIQSA-N	1	0	355.482	1.857	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCn3cccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093434060	958061144	/nfs/dbraw/zinc/06/11/44/958061144.db2.gz	LTQPZPKJJIEATG-IZBJGVDFSA-N	1	0	360.502	1.815	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc(=O)[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093438949	958073088	/nfs/dbraw/zinc/07/30/88/958073088.db2.gz	HXFRICWSTLLVMK-HBXLWWENSA-N	1	0	359.470	1.943	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cc(C)n[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093442860	958082876	/nfs/dbraw/zinc/08/28/76/958082876.db2.gz	KXQQKNDFPLITFG-IZBJGVDFSA-N	1	0	360.502	1.803	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)C#CC2CC2)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccnn1C)C2	ZINC001093443478	958084919	/nfs/dbraw/zinc/08/49/19/958084919.db2.gz	RAJZARXJPQFHQD-UKAVVXHISA-N	1	0	370.497	1.300	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(OC)ncn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093445877	958092542	/nfs/dbraw/zinc/09/25/42/958092542.db2.gz	DMJQPAGRQBPZCJ-IIHSZXCVSA-N	1	0	360.458	1.251	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3nnc(C)[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093446768	958096758	/nfs/dbraw/zinc/09/67/58/958096758.db2.gz	LUGVLTUQIYQFGI-RGCFKVTRSA-N	1	0	361.490	1.198	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc4n[nH]nc43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093446924	958097312	/nfs/dbraw/zinc/09/73/12/958097312.db2.gz	NWTUYFGNIUEJCR-QQTQMKHKSA-N	1	0	367.453	1.171	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn4ncccc34)[C@@H]2C(C)C)C[C@H]1O	ZINC001093450119	958120654	/nfs/dbraw/zinc/12/06/54/958120654.db2.gz	KMCIXCGKVDWTMC-UIXUWTQFSA-N	1	0	369.469	1.495	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cn(C)nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093451772	958135949	/nfs/dbraw/zinc/13/59/49/958135949.db2.gz	YAPBYELZLZYTAF-JYBIWHBTSA-N	1	0	360.502	1.423	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc4ccccn43)[C@H]2C(C)C)C[C@H]1O	ZINC001093452146	958138312	/nfs/dbraw/zinc/13/83/12/958138312.db2.gz	DJRRGSBQTYVZBT-DOSUHQCWSA-N	1	0	366.465	1.547	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(OC)nc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093460214	958187786	/nfs/dbraw/zinc/18/77/86/958187786.db2.gz	YKVNEBWSMXMPFZ-HBXLWWENSA-N	1	0	357.454	1.303	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ncccc3F)[C@@H]2C(C)C)C[C@H]1O	ZINC001093461472	958193489	/nfs/dbraw/zinc/19/34/89/958193489.db2.gz	JGMIUAGFAOQRRA-HNBVOPMISA-N	1	0	359.445	1.363	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ncccc3F)[C@@H]2C(C)C)C[C@H]1O	ZINC001093461293	958193732	/nfs/dbraw/zinc/19/37/32/958193732.db2.gz	HKHKHYRBEBQSBO-LFGUQSLTSA-N	1	0	361.461	1.915	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccnc3OC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093462976	958195216	/nfs/dbraw/zinc/19/52/16/958195216.db2.gz	RWKLCJUFGCJGRS-WOCWXWTJSA-N	1	0	359.470	1.856	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(CC=C)nn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093464492	958199505	/nfs/dbraw/zinc/19/95/05/958199505.db2.gz	BUVSDHYQRSJOBC-NWGLXNPWSA-N	1	0	359.474	1.230	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc(=O)n3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093464665	958200960	/nfs/dbraw/zinc/20/09/60/958200960.db2.gz	GDBJIHNJQIXGAQ-QSFMABPGSA-N	1	0	359.470	1.151	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccnc(OC)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093466267	958209156	/nfs/dbraw/zinc/20/91/56/958209156.db2.gz	NGECEBNHASSLJS-DEPWHIHDSA-N	1	0	371.481	1.232	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C4CC4)n[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093468373	958217910	/nfs/dbraw/zinc/21/79/10/958217910.db2.gz	ZKXXTPGDSVRRKY-FTEYMNFISA-N	1	0	356.470	1.500	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093469313	958220726	/nfs/dbraw/zinc/22/07/26/958220726.db2.gz	FPZVJSZPHATSKB-ADAWSYLGSA-N	1	0	364.877	1.809	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3cn[nH]c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093469471	958222062	/nfs/dbraw/zinc/22/20/62/958222062.db2.gz	GHSCZBQIRGTZKI-LFGUQSLTSA-N	1	0	360.502	1.885	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncccc3OC)[C@H]2C(C)C)C[C@H]1O	ZINC001093471508	958234104	/nfs/dbraw/zinc/23/41/04/958234104.db2.gz	FISMSMQUYRKMRQ-DZJHOTPTSA-N	1	0	357.454	1.303	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cncn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093472032	958236812	/nfs/dbraw/zinc/23/68/12/958236812.db2.gz	HYYMMRFWTFFWQQ-IZBJGVDFSA-N	1	0	360.502	1.505	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc4ncccn4n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093472360	958237839	/nfs/dbraw/zinc/23/78/39/958237839.db2.gz	KNFZZEMWRWTHDZ-QQTQMKHKSA-N	1	0	369.469	1.495	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3oc(CC)nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093472337	958238137	/nfs/dbraw/zinc/23/81/37/958238137.db2.gz	KIXOXZFIDZJHBA-CWLMSFPYSA-N	1	0	359.470	1.758	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn4cc[nH]c34)[C@@H]2C(C)C)C[C@H]1O	ZINC001093472516	958239260	/nfs/dbraw/zinc/23/92/60/958239260.db2.gz	JMTKSNYBFUEYQN-YKTARERQSA-N	1	0	357.458	1.428	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncoc3C3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093474864	958249799	/nfs/dbraw/zinc/24/97/99/958249799.db2.gz	XAZBTCVVNXYEDG-CWLMSFPYSA-N	1	0	357.454	1.765	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH]nc3C(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001093452587	958257961	/nfs/dbraw/zinc/25/79/61/958257961.db2.gz	LFQJZSGIJJRELJ-HBXLWWENSA-N	1	0	358.486	1.746	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccn4nccc34)[C@@H]2C(C)C)C[C@H]1O	ZINC001093453024	958262071	/nfs/dbraw/zinc/26/20/71/958262071.db2.gz	SEECAQIJCSFWTO-VELGLUOQSA-N	1	0	366.465	1.547	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(C)c3Cl)[C@H]2C(C)C)C[C@H]1O	ZINC001093453587	958263176	/nfs/dbraw/zinc/26/31/76/958263176.db2.gz	WTBQCUKBTAWZAN-ZXFNITATSA-N	1	0	366.893	1.839	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093454867	958270781	/nfs/dbraw/zinc/27/07/81/958270781.db2.gz	CKZBGTIBFVRWOI-NYCLONFESA-N	1	0	366.893	1.752	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cncc(C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093455364	958273279	/nfs/dbraw/zinc/27/32/79/958273279.db2.gz	MJMWRISXWKBTAF-RMVXJAJNSA-N	1	0	355.482	1.532	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)cc(C)[nH]c3=O)[C@H]2C(C)C)C[C@H]1O	ZINC001093456392	958277366	/nfs/dbraw/zinc/27/73/66/958277366.db2.gz	ZOBRVKKWMBMTHW-RDBAUFEQSA-N	1	0	371.481	1.617	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc4[nH]ccc4n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093456892	958278399	/nfs/dbraw/zinc/27/83/99/958278399.db2.gz	HCOQICUJWAPXHL-BNDYYXHWSA-N	1	0	366.465	1.776	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3cncnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093457947	958281306	/nfs/dbraw/zinc/28/13/06/958281306.db2.gz	LZRHWUJEQIQPCB-HNBVOPMISA-N	1	0	356.470	1.009	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c(C)noc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093477826	958290153	/nfs/dbraw/zinc/29/01/53/958290153.db2.gz	NJHLTTCTLUPGOL-JYBIWHBTSA-N	1	0	361.486	1.986	20	30		FDEDRO
N#CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1	ZINC001093487527	958309601	/nfs/dbraw/zinc/30/96/01/958309601.db2.gz	GFZXQZUHXMOPTF-PHUPPTAPSA-N	1	0	370.497	1.073	20	30		FDEDRO
C=CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@@H]2CCO[C@H]2C=C)CC1	ZINC001093490521	958313082	/nfs/dbraw/zinc/31/30/82/958313082.db2.gz	ZVLRGVRGCUXRDE-WCIQWLHISA-N	1	0	359.514	1.903	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093623241	958348543	/nfs/dbraw/zinc/34/85/43/958348543.db2.gz	RCYFMHREWPNTHN-DNVCBOLYSA-N	1	0	350.422	1.690	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001093666109	958466653	/nfs/dbraw/zinc/46/66/53/958466653.db2.gz	CAHGCZNWNILBFH-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001093680668	958485882	/nfs/dbraw/zinc/48/58/82/958485882.db2.gz	RYUAPBSYJSYAHK-IUODEOHRSA-N	1	0	368.416	1.567	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3ccncc3F)C[C@H]2C)C1=O	ZINC001093687560	958504734	/nfs/dbraw/zinc/50/47/34/958504734.db2.gz	LUVOTERGEWCNLW-CPUCHLNUSA-N	1	0	360.433	1.305	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093690751	958549587	/nfs/dbraw/zinc/54/95/87/958549587.db2.gz	DOQFNXISNXETCV-LZQZEXGQSA-N	1	0	356.470	1.073	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1nnc2n1CCCC2	ZINC001093699714	958565190	/nfs/dbraw/zinc/56/51/90/958565190.db2.gz	ILIVFKXGHOXEKL-UKRRQHHQSA-N	1	0	367.457	1.312	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1nc(C2CC2)nn1C	ZINC001093699986	958566402	/nfs/dbraw/zinc/56/64/02/958566402.db2.gz	TUHLXJVNEALEKI-IUODEOHRSA-N	1	0	367.457	1.390	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2COC(=O)C2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093715995	958587064	/nfs/dbraw/zinc/58/70/64/958587064.db2.gz	YJNDWLXYWQVBAN-FHLIZLRMSA-N	1	0	355.438	1.696	20	30		FDEDRO
CC(C)N1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)C1=O	ZINC001093722449	958597679	/nfs/dbraw/zinc/59/76/79/958597679.db2.gz	DZGXIHCOCUDKMD-FMKPAKJESA-N	1	0	357.458	1.193	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1nnc(C2CC2)[nH]1	ZINC001093725726	958608561	/nfs/dbraw/zinc/60/85/61/958608561.db2.gz	BITKLOLBLWHTOY-BXUZGUMPSA-N	1	0	353.430	1.380	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1cc2n(n1)CCCC2	ZINC001093725626	958608733	/nfs/dbraw/zinc/60/87/33/958608733.db2.gz	WDUWXFDTIGNLLL-GDBMZVCRSA-N	1	0	366.469	1.917	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1nc(CC2CC2)no1	ZINC001093725592	958609343	/nfs/dbraw/zinc/60/93/43/958609343.db2.gz	TYZLBZCJLFNTCL-IUODEOHRSA-N	1	0	368.441	1.720	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1cn(CC2CC2)nn1	ZINC001093725762	958610313	/nfs/dbraw/zinc/61/03/13/958610313.db2.gz	DBUAPFUEEUHUBI-CZUORRHYSA-N	1	0	367.457	1.386	20	30		FDEDRO
CCCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC001093725870	958610516	/nfs/dbraw/zinc/61/05/16/958610516.db2.gz	IDPKNGWPSRVWMN-UKRRQHHQSA-N	1	0	355.446	1.386	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1ncnn1C(C)(C)C	ZINC001093726235	958612637	/nfs/dbraw/zinc/61/26/37/958612637.db2.gz	SJIGMQJANMJCJO-UKRRQHHQSA-N	1	0	369.473	1.731	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001093739642	958653990	/nfs/dbraw/zinc/65/39/90/958653990.db2.gz	UZNGNXWSXPLYBI-RHSMWYFYSA-N	1	0	370.432	1.563	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3ccoc3CC)C[C@H]2C)C1=O	ZINC001093746330	958662178	/nfs/dbraw/zinc/66/21/78/958662178.db2.gz	QXUJIPFYINFSIF-INMHGKMJSA-N	1	0	359.470	1.927	20	30		FDEDRO
CCn1nncc1C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1	ZINC001093756221	958687353	/nfs/dbraw/zinc/68/73/53/958687353.db2.gz	IMUGARSMAUKYEU-RHSMWYFYSA-N	1	0	352.442	1.668	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1ccc(S(C)(=O)=O)o1	ZINC001093764103	958704646	/nfs/dbraw/zinc/70/46/46/958704646.db2.gz	PEZVOWVKWQCDNY-UKRRQHHQSA-N	1	0	364.467	1.281	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CC(C)(C)O)C[C@H]2C)cc1C#N	ZINC001093744446	958753735	/nfs/dbraw/zinc/75/37/35/958753735.db2.gz	WBLOTEACWAHREB-RHSMWYFYSA-N	1	0	359.470	1.912	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001093783001	958769111	/nfs/dbraw/zinc/76/91/11/958769111.db2.gz	VOYLOOKGKJWLBA-JPUXWFAOSA-N	1	0	357.429	1.918	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093804385	958838442	/nfs/dbraw/zinc/83/84/42/958838442.db2.gz	JAFXYDUBGXGSIZ-FHLIZLRMSA-N	1	0	354.454	1.221	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3cccc(CC)n3)C[C@H]2C)C1=O	ZINC001093827953	958913567	/nfs/dbraw/zinc/91/35/67/958913567.db2.gz	MPZVUCHKBMNPEL-JFIYKMOQSA-N	1	0	370.497	1.729	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)s2)[C@H](C)C1	ZINC001093832902	958926062	/nfs/dbraw/zinc/92/60/62/958926062.db2.gz	GPKJSLPWTWOIET-BMFZPTHFSA-N	1	0	361.515	1.128	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)c(C#N)c2)[C@H](C)C1	ZINC001093843762	958962240	/nfs/dbraw/zinc/96/22/40/958962240.db2.gz	RXROXQQSUUHMPY-IAQYHMDHSA-N	1	0	371.416	1.932	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)NC2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093816716	959007655	/nfs/dbraw/zinc/00/76/55/959007655.db2.gz	QUTUNDSDKZMUEV-JTDSTZFVSA-N	1	0	368.481	1.659	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093817392	959013016	/nfs/dbraw/zinc/01/30/16/959013016.db2.gz	QJZKQKDBXKJTHD-FHLIZLRMSA-N	1	0	354.454	1.269	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C[NH2+][C@@H]2CCCNC2=O)[C@H](C)C1	ZINC001093869876	959052737	/nfs/dbraw/zinc/05/27/37/959052737.db2.gz	GROCTLLRIZIOOL-JFIYKMOQSA-N	1	0	371.481	1.828	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C[NH2+][C@@H]2CCN(C)C2=O)[C@H](C)C1	ZINC001093870600	959056382	/nfs/dbraw/zinc/05/63/82/959056382.db2.gz	YZXYXOCCRRNUQM-JFIYKMOQSA-N	1	0	371.481	1.780	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3ccnc3)cn2)C1	ZINC001197751968	972413499	/nfs/dbraw/zinc/41/34/99/972413499.db2.gz	GLJZCYMXZVWLSA-ZTFGCOKTSA-N	1	0	355.442	1.397	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093905472	959288987	/nfs/dbraw/zinc/28/89/87/959288987.db2.gz	IECZERYEMVMGGQ-CZUORRHYSA-N	1	0	366.421	1.748	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)CC2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093943692	959306725	/nfs/dbraw/zinc/30/67/25/959306725.db2.gz	OCGXPKOQOBGKHY-AYOQOUSVSA-N	1	0	368.481	1.659	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ncnn3CCF)[C@H](C)C2)cc1	ZINC001093959319	959359167	/nfs/dbraw/zinc/35/91/67/959359167.db2.gz	WVEBCLSNJQIECP-CRAIPNDOSA-N	1	0	369.444	1.727	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001094037616	959579812	/nfs/dbraw/zinc/57/98/12/959579812.db2.gz	YWMHNORIHIRABT-ZTQAJYAQSA-N	1	0	354.454	1.269	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCOCCOCC)C1	ZINC001197791171	972442253	/nfs/dbraw/zinc/44/22/53/972442253.db2.gz	BCAIEMBVMQXSQP-QZTJIDSGSA-N	1	0	356.507	1.727	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001094048839	959623068	/nfs/dbraw/zinc/62/30/68/959623068.db2.gz	PORXRPJQRHUOFD-VXGBXAGGSA-N	1	0	371.466	1.545	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cc3cnc[nH]3)C[C@H]2C)cc1C#N	ZINC001094074987	959703398	/nfs/dbraw/zinc/70/33/98/959703398.db2.gz	RXUNOBWHHMKYBF-RHSMWYFYSA-N	1	0	367.453	1.717	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3nnc(C4CC4)o3)[C@H](C)C2)nn1	ZINC001094095079	959771014	/nfs/dbraw/zinc/77/10/14/959771014.db2.gz	DMUWQXVIVVEFSG-TZMCWYRMSA-N	1	0	371.445	1.222	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]CC3CC(F)(F)C3)[C@H](C)C2)nn1	ZINC001094095559	959772124	/nfs/dbraw/zinc/77/21/24/959772124.db2.gz	UJFISUKRKXHGAR-TZMCWYRMSA-N	1	0	353.417	1.807	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nccn2C)[C@H](C)C1	ZINC001094099826	959782669	/nfs/dbraw/zinc/78/26/69/959782669.db2.gz	PCZQIVOWLBLJOU-VXNCWWDNSA-N	1	0	360.502	1.976	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]C[C@@H]3CCCOC3)[C@H](C)C2)nn1	ZINC001094100645	959784587	/nfs/dbraw/zinc/78/45/87/959784587.db2.gz	BZYWGOQERNPIRQ-IXDOHACOSA-N	1	0	361.490	1.579	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001094133194	959859179	/nfs/dbraw/zinc/85/91/79/959859179.db2.gz	ZVFJHILRNIMKKM-CZUORRHYSA-N	1	0	355.417	1.847	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ncc(Cl)n3C)[C@H](C)C2)nc1	ZINC001094172706	959971400	/nfs/dbraw/zinc/97/14/00/959971400.db2.gz	WSCGACTVYLZLPD-UKRRQHHQSA-N	1	0	371.872	1.948	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nn(C)cc3Cl)[C@H](C)C2)cn1	ZINC001094174479	959978489	/nfs/dbraw/zinc/97/84/89/959978489.db2.gz	KGRPECUMZAMVJA-UKRRQHHQSA-N	1	0	371.872	1.948	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cnn(CC)n3)[C@H](C)C2)cn1	ZINC001094175018	959979974	/nfs/dbraw/zinc/97/99/74/959979974.db2.gz	XFWRIFHCZVFMHV-GDBMZVCRSA-N	1	0	352.442	1.172	20	30		FDEDRO
Cc1nonc1CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)c(C#N)c2)[C@H](C)C1	ZINC001094142307	959999455	/nfs/dbraw/zinc/99/94/55/959999455.db2.gz	XMCNWFLSSBEZRE-MLGOLLRUSA-N	1	0	371.416	1.816	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]Cc2nccn2C)[C@H](C)C1	ZINC001094189759	960075168	/nfs/dbraw/zinc/07/51/68/960075168.db2.gz	KQXFKLBGOJMTGG-VQIMIIECSA-N	1	0	350.466	1.828	20	30		FDEDRO
COc1c(C(=O)N2C[C@@H](C[NH2+]Cc3ccccc3C#N)[C@H](C)C2)cnn1C	ZINC001094191216	960079384	/nfs/dbraw/zinc/07/93/84/960079384.db2.gz	LBTDFHCDXTWART-RHSMWYFYSA-N	1	0	367.453	1.798	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)CCC=C3)C1	ZINC001197852435	972478705	/nfs/dbraw/zinc/47/87/05/972478705.db2.gz	YGSJNRRFFAGEAH-GDIGMMSISA-N	1	0	369.465	1.112	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCC(=O)N2C)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001094195764	960092725	/nfs/dbraw/zinc/09/27/25/960092725.db2.gz	DMZCDXPAOJOUJK-LZQZEXGQSA-N	1	0	368.481	1.753	20	30		FDEDRO
CC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1	ZINC001094246793	960175639	/nfs/dbraw/zinc/17/56/39/960175639.db2.gz	AXNWNZOWDBSUEI-CDHQVMDDSA-N	1	0	368.481	1.753	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001094254096	960197747	/nfs/dbraw/zinc/19/77/47/960197747.db2.gz	SAQBQRMMUUDSIA-RHSMWYFYSA-N	1	0	355.417	1.778	20	30		FDEDRO
C=C(C)CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)nn2)C1	ZINC001094306520	960240490	/nfs/dbraw/zinc/24/04/90/960240490.db2.gz	IAJKCBAEWDCPNA-JCGIZDLHSA-N	1	0	359.474	1.532	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@]3(CNC(=O)c4cccnc4)CCC[C@@H]23)C1=O	ZINC001094349818	960279579	/nfs/dbraw/zinc/27/95/79/960279579.db2.gz	IWMLSRCNZUVTBG-WAOWUJCRSA-N	1	0	368.481	1.843	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@]3(CNC(=O)c4ccc[nH]4)CCC[C@@H]23)C1=O	ZINC001094361076	960315415	/nfs/dbraw/zinc/31/54/15/960315415.db2.gz	MPJCWUAALISNOE-MBOZVWFJSA-N	1	0	356.470	1.776	20	30		FDEDRO
N#Cc1ccccc1C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3COCCO3)CCC[C@@H]12	ZINC001094368148	960327157	/nfs/dbraw/zinc/32/71/57/960327157.db2.gz	GYZIOUUYMFHMQV-SFHLNBCPSA-N	1	0	369.465	1.834	20	30		FDEDRO
O=C(NC[C@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2)[C@H]1COCCO1	ZINC001094368627	960328202	/nfs/dbraw/zinc/32/82/02/960328202.db2.gz	RTJPTMXAHVTNII-KCZVDYSFSA-N	1	0	368.477	1.814	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@@H]4COCCO4)CCC[C@@H]23)cc1	ZINC001094368751	960328810	/nfs/dbraw/zinc/32/88/10/960328810.db2.gz	XTKSINHJACCAGN-QKNQBKEWSA-N	1	0	369.465	1.834	20	30		FDEDRO
Cn1nncc1C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C#N)[nH]3)CCC[C@@H]12	ZINC001094394970	960344556	/nfs/dbraw/zinc/34/45/56/960344556.db2.gz	XQTRQLSQCZCZRP-SJLPKXTDSA-N	1	0	353.430	1.189	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4c(c3)nnn4C)CCC[C@@H]12	ZINC001094445572	960512034	/nfs/dbraw/zinc/51/20/34/960512034.db2.gz	IELGCOZYBMHNCR-UYAOXDASSA-N	1	0	351.454	1.966	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@@H]4CCNC4=O)CCC[C@@H]23)cc1	ZINC001094488020	960580787	/nfs/dbraw/zinc/58/07/87/960580787.db2.gz	IPVPSZOONHRZJC-DBXWQHBBSA-N	1	0	366.465	1.555	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@@H]4CNC(=O)N4)CCC[C@@H]23)c1	ZINC001094501170	960627336	/nfs/dbraw/zinc/62/73/36/960627336.db2.gz	HQIXVTLUNZGYEN-SQGPQFPESA-N	1	0	367.453	1.100	20	30		FDEDRO
N#Cc1ccccc1C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CNC(=O)N3)CCC[C@@H]12	ZINC001094501094	960627559	/nfs/dbraw/zinc/62/75/59/960627559.db2.gz	GFZBSLHGFPHPDB-SQGPQFPESA-N	1	0	367.453	1.100	20	30		FDEDRO
C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)Cc2ccc(F)c(C#N)c2)CC1	ZINC001181194414	960648504	/nfs/dbraw/zinc/64/85/04/960648504.db2.gz	KSCYFRPEOMGAKO-WKILWMFISA-N	1	0	360.433	1.345	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3COCCN3CCCC)CCC[C@@H]12	ZINC001094477539	960651117	/nfs/dbraw/zinc/65/11/17/960651117.db2.gz	GCTXOIORKRPXNS-QKNQBKEWSA-N	1	0	361.530	1.871	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnn(C)c3-n3cccc3)CCC[C@@H]12	ZINC001094482121	960666640	/nfs/dbraw/zinc/66/66/40/960666640.db2.gz	ZQOOLLSOIATTBS-YLJYHZDGSA-N	1	0	351.454	1.818	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCO)CC2	ZINC001094563830	960824473	/nfs/dbraw/zinc/82/44/73/960824473.db2.gz	QNJDKBXOTQVOKB-YLJYHZDGSA-N	1	0	357.454	1.450	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NC(C)C)C1	ZINC001181525011	960905000	/nfs/dbraw/zinc/90/50/00/960905000.db2.gz	BGMFKLWHLNYGSM-PDOICOKGSA-N	1	0	365.518	1.566	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@@]1(C)C[NH2+]Cc1cccc(C#N)c1	ZINC001181772414	961094628	/nfs/dbraw/zinc/09/46/28/961094628.db2.gz	NUTUBZADMZVCGN-KPYYAMLLSA-N	1	0	371.481	1.936	20	30		FDEDRO
C[C@@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1C[C@H]1c1ccsc1	ZINC001171516823	961213018	/nfs/dbraw/zinc/21/30/18/961213018.db2.gz	ZEODMEGEXRCLHF-CWRNSKLLSA-N	1	0	362.499	1.756	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O	ZINC001172304688	961615372	/nfs/dbraw/zinc/61/53/72/961615372.db2.gz	OZAWOYSEHALBAT-ZDUSSCGKSA-N	1	0	374.466	1.585	20	30		FDEDRO
C[C@@H](CCCC#N)[NH2+][C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2=O)C1	ZINC001172481214	961666660	/nfs/dbraw/zinc/66/66/60/961666660.db2.gz	QUIWUBWZYPKHPT-FUHWJXTLSA-N	1	0	370.497	2.000	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cc(Br)c(C)n(C)c1=O	ZINC000774080989	961676494	/nfs/dbraw/zinc/67/64/94/961676494.db2.gz	VKTFVXFTSFOTPX-GFCCVEGCSA-N	1	0	367.243	1.711	20	30		FDEDRO
C[C@H](CCCC#N)[N@H+]1CCc2ncc(CNC(=O)c3nccn3C)n2CC1	ZINC001172498475	961687676	/nfs/dbraw/zinc/68/76/76/961687676.db2.gz	LJOLLAXCWOOZRH-OAHLLOKOSA-N	1	0	369.473	1.487	20	30		FDEDRO
C[C@H](CCCC#N)[N@@H+]1CC[C@H]2[C@H](CO[C@@H]2CNC(=O)c2cnccn2)C1	ZINC001172499515	961688207	/nfs/dbraw/zinc/68/82/07/961688207.db2.gz	SRQNGOKIPAKYMV-MUQADHOPSA-N	1	0	357.458	1.626	20	30		FDEDRO
CCCCCCC[C@@H](CCC)[NH2+]CC(=O)NCC(=O)NCC(=O)OCC	ZINC001172508187	961689818	/nfs/dbraw/zinc/68/98/18/961689818.db2.gz	HBMZXUWWHOYCKN-MRXNPFEDSA-N	1	0	371.522	1.901	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2C[C@@H](S(C)(=O)=O)C2)C[C@H]1C#N	ZINC001172968557	961853550	/nfs/dbraw/zinc/85/35/50/961853550.db2.gz	MGBKELJURYVLQJ-MQYQWHSLSA-N	1	0	357.476	1.443	20	30		FDEDRO
C[C@H]1COCCN1CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1	ZINC001172981291	961865213	/nfs/dbraw/zinc/86/52/13/961865213.db2.gz	LOCYSAQGXPNODE-XHSDSOJGSA-N	1	0	352.479	1.588	20	30		FDEDRO
CS(=O)(=O)N(C(=O)CCc1cccc(C#N)c1)c1ccc(C[NH3+])cc1	ZINC001182341383	961868645	/nfs/dbraw/zinc/86/86/45/961868645.db2.gz	MOJIUVZVHYABTK-UHFFFAOYSA-N	1	0	357.435	1.942	20	30		FDEDRO
CNC(=O)NC1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1	ZINC001172992782	961902396	/nfs/dbraw/zinc/90/23/96/961902396.db2.gz	FKKTZKSTFYJYKS-GJZGRUSLSA-N	1	0	365.478	1.671	20	30		FDEDRO
C#CCN(C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1)[C@H]1CCS(=O)(=O)C1	ZINC000774253593	961924521	/nfs/dbraw/zinc/92/45/21/961924521.db2.gz	QZUXKRSDUCRIAS-IRXDYDNUSA-N	1	0	369.531	1.186	20	30		FDEDRO
CS(=O)(=O)N(Cc1ncn2c1C[NH2+]CCC2)C1CCC(CC#N)CC1	ZINC001173336409	962007935	/nfs/dbraw/zinc/00/79/35/962007935.db2.gz	YCRFSDMVCYLDRM-UHFFFAOYSA-N	1	0	365.503	1.610	20	30		FDEDRO
CCOC(=O)c1cc(C#N)c(C)nc1N1CCN([C@@H]2CC[N@H+](CC)C2)CC1	ZINC001173365702	962061396	/nfs/dbraw/zinc/06/13/96/962061396.db2.gz	NONBTDSMXJMBDP-QGZVFWFLSA-N	1	0	371.485	1.655	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3COCCC34OCCO4)CC2)cc1	ZINC001173426417	962135780	/nfs/dbraw/zinc/13/57/80/962135780.db2.gz	YNNHFNJIGVQKFP-GOSISDBHSA-N	1	0	371.437	1.284	20	30		FDEDRO
CCN(CCO)c1ccc(C=[NH+]NCC(C)(C)S(C)(=O)=O)c(C)c1	ZINC000774498477	962254760	/nfs/dbraw/zinc/25/47/60/962254760.db2.gz	WRYIRGNVHDNMFK-UHFFFAOYSA-N	1	0	355.504	1.560	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2cc(C)ncn2)C1	ZINC001182669236	962380257	/nfs/dbraw/zinc/38/02/57/962380257.db2.gz	JJSZUBNEGUBHPF-XUMLPFHTSA-N	1	0	358.486	1.950	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CCCCC2)C1	ZINC001182670507	962381731	/nfs/dbraw/zinc/38/17/31/962381731.db2.gz	OWIWMOXYDHZPTP-KURKYZTESA-N	1	0	363.502	1.607	20	30		FDEDRO
COC(=O)[C@@H]1C[C@@H](NC(=[NH2+])c2ccc3ccccc3n2)C[C@@H]1C(=O)OC	ZINC001173580672	962447072	/nfs/dbraw/zinc/44/70/72/962447072.db2.gz	DCDCDPLYTXBKSM-ZSOGYDGISA-N	1	0	355.394	1.681	20	30		FDEDRO
COC(=O)[C@@H]1C[C@@H](NC(=[NH2+])c2ccc3cc(O)ccc3c2)C[C@@H]1C(=O)OC	ZINC001173582638	962454065	/nfs/dbraw/zinc/45/40/65/962454065.db2.gz	OZDRGYVTNCPRHE-XGBSXSJOSA-N	1	0	370.405	1.992	20	30		FDEDRO
CCOC(=O)C[C@@H]1CC[C@H](NC(=[NH2+])c2ccc(S(C)(=O)=O)cc2)C1	ZINC001173632783	962511943	/nfs/dbraw/zinc/51/19/43/962511943.db2.gz	AZWICAPKGPQUCE-OCCSQVGLSA-N	1	0	352.456	1.917	20	30		FDEDRO
C[C@@H](C(=O)N[C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1)c1ccc(C#N)cc1	ZINC001182801219	962527126	/nfs/dbraw/zinc/52/71/26/962527126.db2.gz	YTLFTNOGHFCAEQ-ZTFGCOKTSA-N	1	0	356.470	1.767	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C[C@@H](O)COC)C1	ZINC001182846614	962559729	/nfs/dbraw/zinc/55/97/29/962559729.db2.gz	KWWHFSLONOLFBT-PKRADWSKSA-N	1	0	368.518	1.439	20	30		FDEDRO
N#CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2cc[nH]n2)C3)cc1	ZINC001095255172	962636778	/nfs/dbraw/zinc/63/67/78/962636778.db2.gz	MWDWAFLAGDITCE-NEWSRXKRSA-N	1	0	365.437	1.776	20	30		FDEDRO
C=CCOC(=O)N1CCC2(C[NH+]([C@H]3CCC[C@H](n4ncnn4)C3)C2)CC1	ZINC001173757515	962639051	/nfs/dbraw/zinc/63/90/51/962639051.db2.gz	YAMPXPCFURLNHC-HOTGVXAUSA-N	1	0	360.462	1.877	20	30		FDEDRO
C=C(C)COc1cccc(NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1	ZINC000650024126	1013366442	/nfs/dbraw/zinc/36/64/42/1013366442.db2.gz	BHFUAOHPKNAQRP-UHFFFAOYSA-N	1	0	360.458	1.879	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000957522232	1013368083	/nfs/dbraw/zinc/36/80/83/1013368083.db2.gz	SWNWBWVWLFBOEH-XNFNUYLZSA-N	1	0	367.493	1.514	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)Nc1c(C(N)=O)nsc1C(=O)OCC	ZINC001183039778	962751340	/nfs/dbraw/zinc/75/13/40/962751340.db2.gz	ZFFBTTQZFAJGRT-UHFFFAOYSA-N	1	0	352.416	1.009	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](Cc1c[nH]c2ncccc12)NC(C)=O	ZINC001183453800	963052202	/nfs/dbraw/zinc/05/22/02/963052202.db2.gz	KTLZNJCAEJRXMG-FUHWJXTLSA-N	1	0	369.469	1.377	20	30		FDEDRO
COc1ccc(C(=NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)NO)nc1	ZINC001183574249	963148756	/nfs/dbraw/zinc/14/87/56/963148756.db2.gz	MFUWFUQTLXRVTB-OAHLLOKOSA-N	1	0	354.410	1.864	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1nnc(CC)o1	ZINC001175366689	963171372	/nfs/dbraw/zinc/17/13/72/963171372.db2.gz	VVGZJRZCNMRZID-ZNMIVQPWSA-N	1	0	350.463	1.988	20	30		FDEDRO
CC[C@@H]1CCN(CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1=O	ZINC001183675792	963217510	/nfs/dbraw/zinc/21/75/10/963217510.db2.gz	ZQESZRJRIZRPHK-GOSISDBHSA-N	1	0	368.481	1.919	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)N1CCC1	ZINC001175630336	963242162	/nfs/dbraw/zinc/24/21/62/963242162.db2.gz	PPXUBXODKUXWGC-LNLFQRSKSA-N	1	0	365.518	1.855	20	30		FDEDRO
CSc1nn(-c2ccc(C(=O)NCCC[NH+](C)C)cc2)c(N)c1C#N	ZINC001175824379	963303763	/nfs/dbraw/zinc/30/37/63/963303763.db2.gz	OVFQGKUQYBHUDR-UHFFFAOYSA-N	1	0	358.471	1.730	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2	ZINC001110190930	963325004	/nfs/dbraw/zinc/32/50/04/963325004.db2.gz	YSQFSCRBEWTULR-YRXWBPOGSA-N	1	0	374.529	1.112	20	30		FDEDRO
C#C[C@H](NC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1)[C@H]1CCCO1	ZINC000773561278	963403432	/nfs/dbraw/zinc/40/34/32/963403432.db2.gz	UPXRGMBCAZCGLU-RBUKOAKNSA-N	1	0	362.518	1.367	20	30		FDEDRO
C#CC[C@]1(C(=O)n2cnc(C[NH3+])cc2=N)CCCN1C(=O)OC(C)(C)C	ZINC001184101788	963429659	/nfs/dbraw/zinc/42/96/59/963429659.db2.gz	AYZFYSDUFMZIAC-GOSISDBHSA-N	1	0	359.430	1.254	20	30		FDEDRO
CCO[C@H](CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N(CC)CCC#N	ZINC001110347488	963506649	/nfs/dbraw/zinc/50/66/49/963506649.db2.gz	AGEPIVMFGVKNFI-WCXIOVBPSA-N	1	0	364.490	1.285	20	30		FDEDRO
CCCC#CC(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1	ZINC001184268928	963519124	/nfs/dbraw/zinc/51/91/24/963519124.db2.gz	YCMUILBSTNCSMM-KRWDZBQOSA-N	1	0	359.474	1.157	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)NCc1cc(C#N)ccc1F)c1cccs1	ZINC000774855042	963901221	/nfs/dbraw/zinc/90/12/21/963901221.db2.gz	JZPAWZYMILOPKU-HNNXBMFYSA-N	1	0	374.441	1.794	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(C2CC2)C2CC2)C1	ZINC001185759166	964090658	/nfs/dbraw/zinc/09/06/58/964090658.db2.gz	QBKDRMXHUQVPMZ-ZACQAIPSSA-N	1	0	361.486	1.073	20	30		FDEDRO
C=CCNCc1cn([C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nn1	ZINC001185955424	964216277	/nfs/dbraw/zinc/21/62/77/964216277.db2.gz	TVDSGZFNPRMDBA-FGTMMUONSA-N	1	0	360.506	1.448	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](n2cc(C[NH2+]CCC)nn2)C1	ZINC001186018519	964255836	/nfs/dbraw/zinc/25/58/36/964255836.db2.gz	IBGKLMLSVAUFRP-BZSNNMDCSA-N	1	0	361.490	1.922	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC2CCCC2)[C@@H]1C	ZINC001178726225	964365361	/nfs/dbraw/zinc/36/53/61/964365361.db2.gz	XBPYVQYPERIKJX-RANZSIQMSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCO[C@H]2C(=C)C)C1	ZINC001186249726	964372400	/nfs/dbraw/zinc/37/24/00/964372400.db2.gz	JBKHMNIVBOPJJL-AOIWGVFYSA-N	1	0	361.486	1.359	20	30		FDEDRO
Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C	ZINC001178698951	964380633	/nfs/dbraw/zinc/38/06/33/964380633.db2.gz	AOFMWCLHGQRLFE-YJNKXOJESA-N	1	0	360.483	1.379	20	30		FDEDRO
C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC12CCOCC2	ZINC001186512812	964537764	/nfs/dbraw/zinc/53/77/64/964537764.db2.gz	MZOAJGNWCNRWQO-OKZBNKHCSA-N	1	0	358.486	1.554	20	30		FDEDRO
CC(=O)N1CCC([NH+]2CCC(C(=O)Nc3nnccc3C#N)CC2)CC1	ZINC001179009881	964625150	/nfs/dbraw/zinc/62/51/50/964625150.db2.gz	BVARXQGULVHBIA-UHFFFAOYSA-N	1	0	356.430	1.010	20	30		FDEDRO
CC(=O)N1CCC([NH+]2CCC(C(=O)Nc3ccc(O)c(C#N)c3)CC2)CC1	ZINC001179014227	964629853	/nfs/dbraw/zinc/62/98/53/964629853.db2.gz	MBFOPVMVCSGZNH-UHFFFAOYSA-N	1	0	370.453	1.925	20	30		FDEDRO
COCC[N@H+](C)CCN1C[C@@H](Nc2nc(C)c(C#N)cc2Cl)CC1=O	ZINC001186757260	964711923	/nfs/dbraw/zinc/71/19/23/964711923.db2.gz	PFXOXZLKIQRCSK-AWEZNQCLSA-N	1	0	365.865	1.506	20	30		FDEDRO
CCNC(=O)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1	ZINC001110383910	964714052	/nfs/dbraw/zinc/71/40/52/964714052.db2.gz	DURGQQOAAZNLEN-KURKYZTESA-N	1	0	354.454	1.696	20	30		FDEDRO
CN(CC#N)C(=O)[C@H]1C[N@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1	ZINC001179155445	964752094	/nfs/dbraw/zinc/75/20/94/964752094.db2.gz	WWASPCVAGRMFAA-CQSZACIVSA-N	1	0	366.462	1.069	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc[nH]3)[C@@H]2C1	ZINC001186820237	964780064	/nfs/dbraw/zinc/78/00/64/964780064.db2.gz	WZYHXAVVTBTLGO-XYJFISCASA-N	1	0	358.486	1.974	20	30		FDEDRO
C=C[C@H]1C[C@@]1(NC(=O)c1ccccc1N1CC[NH+](C)CC1)C(=O)OCC	ZINC001186904792	964862045	/nfs/dbraw/zinc/86/20/45/964862045.db2.gz	CRBURIIZFIWDTB-YWZLYKJASA-N	1	0	357.454	1.676	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2nc(C3CC3)nn2C)C1	ZINC000962323515	1013533023	/nfs/dbraw/zinc/53/30/23/1013533023.db2.gz	HGOAGXRONWBCIG-GDVJOBBMSA-N	1	0	359.474	1.268	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]CCCCCCNC(=O)[C@H]1OCC[C@H]1C	ZINC001179626162	964939043	/nfs/dbraw/zinc/93/90/43/964939043.db2.gz	RMXQTDGFCIKNNQ-MJGOQNOKSA-N	1	0	365.518	1.878	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCCCC[NH2+][C@H]1CCCNC1=O	ZINC001179797168	964993265	/nfs/dbraw/zinc/99/32/65/964993265.db2.gz	OYEYNIRIHXQPEI-ULQDDVLXSA-N	1	0	351.491	1.512	20	30		FDEDRO
COCC#CC(=O)N(c1ccc(C)cc1)c1ncnc2c1CC[NH2+]CC2	ZINC001187125906	965029637	/nfs/dbraw/zinc/02/96/37/965029637.db2.gz	XQWXIGYQOQOFHM-UHFFFAOYSA-N	1	0	350.422	1.788	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC[C@@H]1CCCCO1	ZINC001110390184	965055511	/nfs/dbraw/zinc/05/55/11/965055511.db2.gz	BKYFPJOBKRFFMY-XDNAFOTISA-N	1	0	352.475	1.496	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCc1ccccc1	ZINC001110390417	965056478	/nfs/dbraw/zinc/05/64/78/965056478.db2.gz	MBGZHAHUXWTDIS-WCIQWLHISA-N	1	0	374.481	1.488	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C(N)=O)c3)C[C@H]21	ZINC001187226392	965102433	/nfs/dbraw/zinc/10/24/33/965102433.db2.gz	VVHBARXMSDDAJN-AYOQOUSVSA-N	1	0	371.481	1.799	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)CN2CCC(=O)C2)[C@H]2CC[C@H]([NH3+])CC2)cc1	ZINC001187336949	965208056	/nfs/dbraw/zinc/20/80/56/965208056.db2.gz	GVBDTGJPBBVWDT-IYARVYRRSA-N	1	0	354.454	1.432	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@@H+](CCOc3cccc(OC)c3)C[C@H]21	ZINC001187320103	965241396	/nfs/dbraw/zinc/24/13/96/965241396.db2.gz	JJTODWFPCXLTAC-QFBILLFUSA-N	1	0	360.454	1.809	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3COc4ccccc4O3)C[C@H]21	ZINC001187320665	965242197	/nfs/dbraw/zinc/24/21/97/965242197.db2.gz	ZRGGYPABTVOCBS-GVDBMIGSSA-N	1	0	358.438	1.562	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]21	ZINC001187320194	965242471	/nfs/dbraw/zinc/24/24/71/965242471.db2.gz	MXIJOMMQWOMDJH-DLBZAZTESA-N	1	0	351.491	1.367	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](CCOCC(F)(F)C(F)(F)F)C[C@H]21	ZINC001187320606	965242511	/nfs/dbraw/zinc/24/25/11/965242511.db2.gz	XLVFXSHKHIECAC-SDDRHHMPSA-N	1	0	369.334	1.893	20	30		FDEDRO
COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)Nc1onc(C)c1C#N	ZINC001180405226	965307064	/nfs/dbraw/zinc/30/70/64/965307064.db2.gz	AATZAMJOOOHLLJ-JKSUJKDBSA-N	1	0	368.393	1.714	20	30		FDEDRO
COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)Nc1[nH]ccc1C#N	ZINC001180405049	965307465	/nfs/dbraw/zinc/30/74/65/965307465.db2.gz	CRDOXWKKAWCZTB-JKSUJKDBSA-N	1	0	352.394	1.746	20	30		FDEDRO
N#Cc1ccccc1N1CCC(C(=O)N(c2ncccn2)C2C[NH2+]C2)CC1	ZINC001180507030	965372529	/nfs/dbraw/zinc/37/25/29/965372529.db2.gz	KTSPAXCODSCDDX-UHFFFAOYSA-N	1	0	362.437	1.570	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21	ZINC001187472233	965382907	/nfs/dbraw/zinc/38/29/07/965382907.db2.gz	DGIJNASAEUQJAC-FGTMMUONSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(CC=C)C3=O)C[C@H]21	ZINC001187472863	965385531	/nfs/dbraw/zinc/38/55/31/965385531.db2.gz	QQZDIVRAOABMST-RCCFBDPRSA-N	1	0	361.486	1.289	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)[C@@H]2CSCC(=O)N2)[C@H]2CC[C@H]([NH3+])CC2)cc1	ZINC001180556231	965397300	/nfs/dbraw/zinc/39/73/00/965397300.db2.gz	SMCYYLFHACOLCL-ULQDDVLXSA-N	1	0	372.494	1.388	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[C@@H](C)OC)[C@@H]2C1	ZINC001187638697	965587060	/nfs/dbraw/zinc/58/70/60/965587060.db2.gz	AMXPSFZTMCXDFJ-FGTMMUONSA-N	1	0	363.502	1.535	20	30		FDEDRO
C[NH+](C)[C@@]1(CNS(=O)(=O)c2cccc(C#N)c2Cl)CCSC1	ZINC001187694849	965641376	/nfs/dbraw/zinc/64/13/76/965641376.db2.gz	YUZBKISXXMFMPQ-CQSZACIVSA-N	1	0	359.904	1.927	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)COc3ccccc3)C[C@H]21	ZINC001187706724	965649814	/nfs/dbraw/zinc/64/98/14/965649814.db2.gz	QLGPAFQMDHSPDN-NLWGTHIKSA-N	1	0	356.466	1.763	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(OC)c(C#N)c3)C[C@H]21	ZINC001187755733	965719290	/nfs/dbraw/zinc/71/92/90/965719290.db2.gz	RDGFFOLGEHOXAJ-CDXJDZJCSA-N	1	0	369.465	1.927	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CC[C@H]2CN(Cc3cc4n(n3)CCCC4)C[C@H]21	ZINC001187763199	965729230	/nfs/dbraw/zinc/72/92/30/965729230.db2.gz	MZARMRBDEBKKDT-QKYXUNIQSA-N	1	0	358.486	1.579	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(-c4ccn(C)n4)on3)[C@@H]2C1	ZINC001188018872	965976852	/nfs/dbraw/zinc/97/68/52/965976852.db2.gz	WEVSRGHHBXMBMO-WMLDXEAASA-N	1	0	371.441	1.424	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4cc(OC)ccc43)[C@@H]2C1	ZINC001188145201	966058501	/nfs/dbraw/zinc/05/85/01/966058501.db2.gz	YIHXSWLKOOVGNT-DZFGPLHGSA-N	1	0	368.477	1.908	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3ccc(C(F)F)n3)[C@@H]2C1	ZINC001188165145	966070932	/nfs/dbraw/zinc/07/09/32/966070932.db2.gz	LBFFKMHSECFWQC-DZGCQCFKSA-N	1	0	354.401	1.556	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(c3)NC(=O)CO4)[C@@H]2C1	ZINC001188255417	966160130	/nfs/dbraw/zinc/16/01/30/966160130.db2.gz	MONKZQCXLGIUSU-DOTOQJQBSA-N	1	0	371.437	1.366	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cnn4c3CCCC4)[C@@H]2C1	ZINC001188255569	966160188	/nfs/dbraw/zinc/16/01/88/966160188.db2.gz	PTQDCOYDBQSTHO-QFBILLFUSA-N	1	0	358.486	1.497	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(=O)[nH]c(C4CC4)n3)[C@@H]2C1	ZINC001188286162	966189862	/nfs/dbraw/zinc/18/98/62/966189862.db2.gz	QIQODTSGROCEFX-GOEBONIOSA-N	1	0	358.442	1.409	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnc4cnccc4c3)[C@@H]2C1	ZINC001188563103	966397324	/nfs/dbraw/zinc/39/73/24/966397324.db2.gz	YGRHZZQUTYHVAT-QFBILLFUSA-N	1	0	352.438	1.979	20	30		FDEDRO
C[NH+]1CCN(c2cc(-c3noc([C@]4(C#N)CCCOC4)n3)ccn2)CC1	ZINC000867042771	966437792	/nfs/dbraw/zinc/43/77/92/966437792.db2.gz	AYOHGDRYHCQJAK-SFHVURJKSA-N	1	0	354.414	1.455	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1C[C@@H]2CCN(C(=O)c3c[nH]nc3C)[C@@H]2C1	ZINC001188731363	966542043	/nfs/dbraw/zinc/54/20/43/966542043.db2.gz	MBEGCKIYSIYZHK-DOTOQJQBSA-N	1	0	359.474	1.289	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)NC(C)C)C[C@H]21	ZINC001188885571	966607914	/nfs/dbraw/zinc/60/79/14/966607914.db2.gz	QQZRVZXAZOOKTP-IXDOHACOSA-N	1	0	350.507	1.829	20	30		FDEDRO
C=CCCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(c4ccn(C)n4)C3=O)C[C@H]21	ZINC001189007671	966698185	/nfs/dbraw/zinc/69/81/85/966698185.db2.gz	YHLXDUORVCTVME-GVDBMIGSSA-N	1	0	371.485	1.414	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)COC[C@H]4CCOC4)[C@@H]3C2)cc1	ZINC001189291576	966874820	/nfs/dbraw/zinc/87/48/20/966874820.db2.gz	BIQMLTZWEHIZPN-SLFFLAALSA-N	1	0	369.465	1.644	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C(C)C)[nH]c3=O)[C@@H]2C1	ZINC001189334264	966917252	/nfs/dbraw/zinc/91/72/52/966917252.db2.gz	PEAUWXSBFPPTOF-MAUKXSAKSA-N	1	0	357.454	1.707	20	30		FDEDRO
C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1	ZINC001189426579	966971817	/nfs/dbraw/zinc/97/18/17/966971817.db2.gz	ZXWJNUDWCFIRCP-RBUKOAKNSA-N	1	0	370.497	1.197	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc4nc[nH]c43)[C@@H]2C1	ZINC001189499570	967015363	/nfs/dbraw/zinc/01/53/63/967015363.db2.gz	YEMXAYDYXNXBCQ-JKIFEVAISA-N	1	0	367.453	1.400	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(-n4cncn4)n3)[C@@H]2C1	ZINC001189590863	967093024	/nfs/dbraw/zinc/09/30/24/967093024.db2.gz	QWPRJJKJWASRMP-DOTOQJQBSA-N	1	0	368.441	1.011	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1	ZINC000852370855	967259430	/nfs/dbraw/zinc/25/94/30/967259430.db2.gz	KQIGVIYTDIYVJH-SFHVURJKSA-N	1	0	357.454	1.751	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C(=O)NC)nc3)[C@@H]2C1	ZINC001189819974	967279581	/nfs/dbraw/zinc/27/95/81/967279581.db2.gz	INUZCOJFDRVSBX-QILLFSRXSA-N	1	0	356.470	1.942	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CCCOCCOCC)[C@@H]2C1	ZINC001189801718	967303623	/nfs/dbraw/zinc/30/36/23/967303623.db2.gz	JSXNGBHNKHMZTO-ZWKOTPCHSA-N	1	0	354.491	1.555	20	30		FDEDRO
C[NH+]1CCN(c2ccc(NC(=O)Cc3ccc(OCC#N)cc3)cn2)CC1	ZINC000110615987	967318745	/nfs/dbraw/zinc/31/87/45/967318745.db2.gz	ZMFVVUZDISSYFN-UHFFFAOYSA-N	1	0	365.437	1.917	20	30		FDEDRO
CCCNC(=O)CCC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001189842806	967340922	/nfs/dbraw/zinc/34/09/22/967340922.db2.gz	AZHYCXZBSJYXAU-RBUKOAKNSA-N	1	0	368.481	1.897	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H](CCCC)C(N)=O)C[C@H]32)nc1	ZINC001189843863	967345165	/nfs/dbraw/zinc/34/51/65/967345165.db2.gz	NEYVDZCGZISSND-CGTJXYLNSA-N	1	0	354.454	1.253	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)C(=O)N(CC)CC)C[C@H]32)cn1	ZINC001189851709	967353832	/nfs/dbraw/zinc/35/38/32/967353832.db2.gz	NXRXBZCMYHQMHC-VDZJLULYSA-N	1	0	368.481	1.466	20	30		FDEDRO
C#CCNC(=O)CC[N@H+]1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1	ZINC000852478656	967362558	/nfs/dbraw/zinc/36/25/58/967362558.db2.gz	WOGVZLPWOGKKGR-GJZGRUSLSA-N	1	0	373.419	1.781	20	30		FDEDRO
C#CCNC(=O)C[NH+]1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1	ZINC000852600815	967458057	/nfs/dbraw/zinc/45/80/57/967458057.db2.gz	FNCITXWIMYJUAP-AWEZNQCLSA-N	1	0	359.392	1.249	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(F)cc3)[C@@H]2C1	ZINC001189999688	967490690	/nfs/dbraw/zinc/49/06/90/967490690.db2.gz	VYDIWWSLFRGKRP-QILLFSRXSA-N	1	0	357.429	1.039	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2C1	ZINC001190125032	967582347	/nfs/dbraw/zinc/58/23/47/967582347.db2.gz	LQSYPHXEAFZYDU-DLBZAZTESA-N	1	0	358.438	1.807	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(NC(C)=O)c3)[C@@H]2C1	ZINC001190133335	967594178	/nfs/dbraw/zinc/59/41/78/967594178.db2.gz	JHHKZBRULCQIHH-PKOBYXMFSA-N	1	0	355.438	1.441	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3nc4ncccn4n3)[C@@H]2C1	ZINC001190157749	967611864	/nfs/dbraw/zinc/61/18/64/967611864.db2.gz	QMLNFAZXACKEQQ-DLBZAZTESA-N	1	0	368.485	1.946	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)Nc1ccc(C(=O)NCC(F)(F)F)cc1	ZINC000852814919	967627743	/nfs/dbraw/zinc/62/77/43/967627743.db2.gz	ZLSOEIGZQUUUHH-UHFFFAOYSA-N	1	0	353.344	1.920	20	30		FDEDRO
CCOC(=O)C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)c1cccc(OC)c1	ZINC000852818276	967630707	/nfs/dbraw/zinc/63/07/07/967630707.db2.gz	SEZQXOACPBWCKU-GOSISDBHSA-N	1	0	358.438	1.809	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCN(C(=O)Cc2ccccc2Cl)CC1	ZINC000852822129	967633394	/nfs/dbraw/zinc/63/33/94/967633394.db2.gz	JAEKGOQQBRNPQM-UHFFFAOYSA-N	1	0	373.884	1.556	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCCC[C@@H]1CNC(=O)c1ccccc1	ZINC000852827911	967638746	/nfs/dbraw/zinc/63/87/46/967638746.db2.gz	CCSMVOFBQJVOGW-LJQANCHMSA-N	1	0	353.466	1.801	20	30		FDEDRO
C=CC[C@]1(C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)CCC[NH2+]1	ZINC000852840647	967649614	/nfs/dbraw/zinc/64/96/14/967649614.db2.gz	XALILBBOFURAFB-OAHLLOKOSA-N	1	0	365.446	1.065	20	30		FDEDRO
C=CC[C@]1(C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)CCC[NH2+]1	ZINC000852849333	967655389	/nfs/dbraw/zinc/65/53/89/967655389.db2.gz	FELABBMFKKFICL-CYBMUJFWSA-N	1	0	369.409	1.115	20	30		FDEDRO
COc1ccc([C@@H](CNC(=O)C#CC2CC[NH2+]CC2)N2CCOCC2)cc1	ZINC000852854516	967659650	/nfs/dbraw/zinc/65/96/50/967659650.db2.gz	JBSAKMXBBCHKND-HXUWFJFHSA-N	1	0	371.481	1.188	20	30		FDEDRO
CN(C)c1ccc(N2CCC(NC(=O)C#CC3CC[NH2+]CC3)CC2)cc1	ZINC000852872401	967679111	/nfs/dbraw/zinc/67/91/11/967679111.db2.gz	GBGOHAXCNHPYQT-UHFFFAOYSA-N	1	0	354.498	1.841	20	30		FDEDRO
COC(=O)[C@@H](NC(=O)C#CC1CC[NH2+]CC1)c1ccc(Cl)c(F)c1	ZINC000852888826	967691324	/nfs/dbraw/zinc/69/13/24/967691324.db2.gz	MSRQQJFQLRHCFE-INIZCTEOSA-N	1	0	352.793	1.812	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3cccc3)[C@@H]2C1	ZINC001190305100	967719551	/nfs/dbraw/zinc/71/95/51/967719551.db2.gz	GSCNNOFZPCPLLE-FGTMMUONSA-N	1	0	358.486	1.492	20	30		FDEDRO
C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1	ZINC001190318813	967732488	/nfs/dbraw/zinc/73/24/88/967732488.db2.gz	VELGHOGXTHWLAM-RBUKOAKNSA-N	1	0	370.497	1.197	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]2C[N@H+](CCOC[C@H]3CCCO3)C[C@H]21	ZINC001190440897	967853322	/nfs/dbraw/zinc/85/33/22/967853322.db2.gz	MCPKXWNLXQCTBT-RCCFBDPRSA-N	1	0	352.475	1.307	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@H](C)c2ccccc2-n2cccn2)CC1	ZINC000775399250	967965504	/nfs/dbraw/zinc/96/55/04/967965504.db2.gz	ARTNPVXVKIFHFM-QGZVFWFLSA-N	1	0	351.454	1.300	20	30		FDEDRO
N#Cc1ccc(C(=O)N(Cc2noc3c2C[NH2+]CC3)c2ncccn2)nc1	ZINC001190585105	967969595	/nfs/dbraw/zinc/96/95/95/967969595.db2.gz	XNWUNUNBQGYQON-UHFFFAOYSA-N	1	0	361.365	1.224	20	30		FDEDRO
COc1cc(C)nc(C=c2sc(=C(C#N)C#N)n(CC3CC3)c2=O)c1	ZINC000853471760	968036158	/nfs/dbraw/zinc/03/61/58/968036158.db2.gz	GEUYUVLJMNZIFM-UHFFFAOYSA-N	1	0	352.419	1.058	20	30		FDEDRO
CC(C)[NH+]1CCN(CCNS(=O)(=O)c2cc(C#N)ccc2Cl)CC1	ZINC001190988811	968217725	/nfs/dbraw/zinc/21/77/25/968217725.db2.gz	HSMBGFMTNVIGNN-UHFFFAOYSA-N	1	0	370.906	1.516	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)cc1	ZINC000853652783	968227529	/nfs/dbraw/zinc/22/75/29/968227529.db2.gz	WDZTYLMNHOXPLO-SFHVURJKSA-N	1	0	372.469	1.985	20	30		FDEDRO
N#CCSCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCc3ccccc32)C[C@H]1O	ZINC001191149198	968297448	/nfs/dbraw/zinc/29/74/48/968297448.db2.gz	HRUQFTWHDFTOBT-CGTJXYLNSA-N	1	0	359.495	1.525	20	30		FDEDRO
C#CCNC(=O)c1ccc(NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)nc1	ZINC000853796573	968326711	/nfs/dbraw/zinc/32/67/11/968326711.db2.gz	YDXSNABLWVORQX-IBGZPJMESA-N	1	0	364.449	1.623	20	30		FDEDRO
CC(C)(O)C#Cc1ccc(C(=O)N2CCO[C@@H](C[NH+]3CCCC3)C2)cc1	ZINC001191175026	968345907	/nfs/dbraw/zinc/34/59/07/968345907.db2.gz	DULOYODLNKITFK-IBGZPJMESA-N	1	0	356.466	1.746	20	30		FDEDRO
N#Cc1c(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)cccc1S(N)(=O)=O	ZINC000853978460	968490820	/nfs/dbraw/zinc/49/08/20/968490820.db2.gz	GDARIXTYVIKIQH-HNNXBMFYSA-N	1	0	356.451	1.892	20	30		FDEDRO
C#CCCN(CCOC)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000854021798	968537125	/nfs/dbraw/zinc/53/71/25/968537125.db2.gz	RRPQPLKAEOPRBO-HXUWFJFHSA-N	1	0	373.497	1.959	20	30		FDEDRO
CS(=O)(=O)N(C(=O)c1c(F)cc(C#N)cc1F)c1ccc(C[NH3+])cc1	ZINC001191936379	968868960	/nfs/dbraw/zinc/86/89/60/968868960.db2.gz	PZQHCYAPSXLARP-UHFFFAOYSA-N	1	0	365.361	1.902	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](CCOC2CCCCCC2)C[C@H]1O	ZINC001192062938	968936296	/nfs/dbraw/zinc/93/62/96/968936296.db2.gz	QWZRCDKGHCDBCJ-RTBURBONSA-N	1	0	368.518	1.870	20	30		FDEDRO
C[N@@H+]1CCCN(CCNC(=O)c2ccc(C#N)cc2C(F)(F)F)CC1	ZINC001192110928	968949071	/nfs/dbraw/zinc/94/90/71/968949071.db2.gz	OHWOZDWYGHDADS-UHFFFAOYSA-N	1	0	354.376	1.944	20	30		FDEDRO
Cc1cccc(C)c1OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1	ZINC001192826552	969318585	/nfs/dbraw/zinc/31/85/85/969318585.db2.gz	GWUBELLZAIWBDL-RTBURBONSA-N	1	0	356.466	1.647	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2)C[C@H]1O	ZINC001192892387	969351401	/nfs/dbraw/zinc/35/14/01/969351401.db2.gz	WYPGHZILKCDNHY-KFKAGJAMSA-N	1	0	358.482	1.684	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)N2CCCCC2=O)C1	ZINC001192942542	969367856	/nfs/dbraw/zinc/36/78/56/969367856.db2.gz	DBZLAQPCTKTJSX-RCCFBDPRSA-N	1	0	365.518	1.685	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)C1	ZINC001193016010	969434108	/nfs/dbraw/zinc/43/41/08/969434108.db2.gz	REPNPJLYIQRYIX-MKXGPGLRSA-N	1	0	358.482	1.790	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)N1CCC2(C[C@H]([N@H+](C)Cc3ccco3)CO2)CC1	ZINC001193118093	969482363	/nfs/dbraw/zinc/48/23/63/969482363.db2.gz	LHQRHGLOJLVCNI-GJZGRUSLSA-N	1	0	367.471	1.577	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)C2CCCC2)C1	ZINC001193166036	969522646	/nfs/dbraw/zinc/52/26/46/969522646.db2.gz	ILSWRDXJKTVVFJ-CGTJXYLNSA-N	1	0	365.518	1.589	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(CC)c(CC)n[nH]c2=O)C1	ZINC001193407134	969658651	/nfs/dbraw/zinc/65/86/51/969658651.db2.gz	COAOCVCHLNKYQF-APHBMKBZSA-N	1	0	362.474	1.437	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1O)OCC	ZINC001193422348	969697365	/nfs/dbraw/zinc/69/73/65/969697365.db2.gz	PLQRPQKCAKIWNA-ZACQAIPSSA-N	1	0	352.500	1.823	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1CN(Cc2cc(C)ns2)C[C@H]1O)OCC	ZINC001193422352	969697499	/nfs/dbraw/zinc/69/74/99/969697499.db2.gz	PNACSTIQQZNDBG-OAGGEKHMSA-N	1	0	353.488	1.484	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@H+](CCc2scnc2C)C[C@H]1O)OCC	ZINC001193422404	969698305	/nfs/dbraw/zinc/69/83/05/969698305.db2.gz	QUFJAXCWWVSDNT-BZUAXINKSA-N	1	0	367.515	1.527	20	30		FDEDRO
COCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(OC)ccc1C#N	ZINC001193669599	969802005	/nfs/dbraw/zinc/80/20/05/969802005.db2.gz	ZDBDWVMKHBSXRV-UHFFFAOYSA-N	1	0	367.471	1.298	20	30		FDEDRO
COc1ccc(C#N)c(S(=O)(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)c1	ZINC001193698163	969826866	/nfs/dbraw/zinc/82/68/66/969826866.db2.gz	RGUITXYEULASTH-AWEZNQCLSA-N	1	0	351.472	1.966	20	30		FDEDRO
COc1ccc(C#N)c(S(=O)(=O)N[C@H]2CC[N@H+](CC(C)(C)C)C2)c1	ZINC001193706750	969833367	/nfs/dbraw/zinc/83/33/67/969833367.db2.gz	FQCHAYCTAKFTNF-AWEZNQCLSA-N	1	0	351.472	1.966	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCc3ccc4c(c3)CCO4)C[C@H]2O)CCC1	ZINC001193711465	969836636	/nfs/dbraw/zinc/83/66/36/969836636.db2.gz	UNUMMNKIIPCWDF-RTBURBONSA-N	1	0	368.477	1.519	20	30		FDEDRO
CC[N@@H+](Cc1ccccc1C#N)CC1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1	ZINC000957753334	1013913326	/nfs/dbraw/zinc/91/33/26/1013913326.db2.gz	JVQKVJYRTRBYPA-MOPGFXCFSA-N	1	0	368.481	1.740	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnn3c2CCCC3)C1	ZINC001193892263	969910737	/nfs/dbraw/zinc/91/07/37/969910737.db2.gz	HLCSQPNMACUCKA-IEBWSBKVSA-N	1	0	362.518	1.894	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O	ZINC001193892468	969911845	/nfs/dbraw/zinc/91/18/45/969911845.db2.gz	OVQDWLDFMHBICU-GUDVDZBRSA-N	1	0	356.470	1.094	20	30		FDEDRO
C[NH+](C)CC1CN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C1	ZINC000854722429	969921101	/nfs/dbraw/zinc/92/11/01/969921101.db2.gz	WNTXEMUBKJDMPG-OAHLLOKOSA-N	1	0	352.479	1.984	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)C1	ZINC001194045900	969972075	/nfs/dbraw/zinc/97/20/75/969972075.db2.gz	JIIGOYFUZKCGTF-UAFMIMERSA-N	1	0	358.482	1.934	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(CN(C)C)on2)C1	ZINC001194308723	970097099	/nfs/dbraw/zinc/09/70/99/970097099.db2.gz	OEAYGOFJLDCTTD-IAGOWNOFSA-N	1	0	352.479	1.482	20	30		FDEDRO
C#CCN(CC(=O)N1CC[N@@H+](CCOC)CC1(C)C)C(=O)OC(C)(C)C	ZINC000855028988	970105466	/nfs/dbraw/zinc/10/54/66/970105466.db2.gz	BVPMRYKJIMKNJL-UHFFFAOYSA-N	1	0	367.490	1.426	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c([nH]2)c(F)ccc3C)C1	ZINC001194282702	970108363	/nfs/dbraw/zinc/10/83/63/970108363.db2.gz	KCUHCNLRHYVAAJ-IAGOWNOFSA-N	1	0	361.417	1.593	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(CC(F)(F)F)n1)C2	ZINC001110696972	970134534	/nfs/dbraw/zinc/13/45/34/970134534.db2.gz	UETSLJNVRFFAOV-YUELXQCFSA-N	1	0	372.391	1.983	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1-n1ccnn1)C2	ZINC001110699410	970137832	/nfs/dbraw/zinc/13/78/32/970137832.db2.gz	PACQEZMINUUOJP-KFWWJZLASA-N	1	0	373.482	1.867	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)c3ccccc3[nH]2)C1	ZINC001194483683	970211153	/nfs/dbraw/zinc/21/11/53/970211153.db2.gz	IEISKXSTKFAAOU-BOFPYLFWSA-N	1	0	355.438	1.658	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)CCC(=O)N3)C1	ZINC001194527502	970233803	/nfs/dbraw/zinc/23/38/03/970233803.db2.gz	SARWJNQLTKSPSN-FSPWUOQZSA-N	1	0	357.454	1.701	20	30		FDEDRO
C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccnc(OCC[NH+](C)C)c1	ZINC000855496831	970421570	/nfs/dbraw/zinc/42/15/70/970421570.db2.gz	DJHHNGTULLSFBJ-UHFFFAOYSA-N	1	0	361.442	1.439	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccc(C)cc1	ZINC001110461700	970424939	/nfs/dbraw/zinc/42/49/39/970424939.db2.gz	DXIAJMQLRQALQI-QRVBRYPASA-N	1	0	353.466	1.399	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)ccc1C	ZINC001110461941	970428970	/nfs/dbraw/zinc/42/89/70/970428970.db2.gz	PCGWJWNHBSLVQU-KURKYZTESA-N	1	0	357.429	1.495	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1O	ZINC001195021589	970617039	/nfs/dbraw/zinc/61/70/39/970617039.db2.gz	XZKIHTUGOIQCLP-NUJGCVRESA-N	1	0	352.500	1.681	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N[C@@H](C(=O)OC)c1ccccc1Br	ZINC000855698493	970624195	/nfs/dbraw/zinc/62/41/95/970624195.db2.gz	QYRZXZQFPLUGQH-CYBMUJFWSA-N	1	0	355.232	1.897	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3cc(C)nn3c2C)C1	ZINC001195119324	970702167	/nfs/dbraw/zinc/70/21/67/970702167.db2.gz	HOWGSAKYAFWOSF-QZTJIDSGSA-N	1	0	371.485	1.867	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)Nc2ccccc2)C1	ZINC001195119524	970702824	/nfs/dbraw/zinc/70/28/24/970702824.db2.gz	QJIZZTGNVZRIQF-DJIMGWMZSA-N	1	0	360.458	1.324	20	30		FDEDRO
C#C[C@H]([NH2+][C@@H](C)C(=O)N(C)Cc1ccc(OC)c(OC)c1)[C@H]1CCCO1	ZINC000775796871	972557473	/nfs/dbraw/zinc/55/74/73/972557473.db2.gz	AQHPWQRTWYDZCG-BHYGNILZSA-N	1	0	360.454	1.821	20	30		FDEDRO
C#C[C@H]([NH2+]CCCS(=O)(=O)c1ccc(NC(C)=O)cc1)[C@H]1CCCO1	ZINC000775798703	972567859	/nfs/dbraw/zinc/56/78/59/972567859.db2.gz	LHWSVPRIHUELQV-ZWKOTPCHSA-N	1	0	364.467	1.579	20	30		FDEDRO
C#C[C@H](NCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[C@@H]1CCCO1	ZINC000775807680	972643080	/nfs/dbraw/zinc/64/30/80/972643080.db2.gz	UPSJZDYDYIJJDE-ZFWWWQNUSA-N	1	0	370.858	1.452	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C(=O)NC)cc1	ZINC001110501017	972731722	/nfs/dbraw/zinc/73/17/22/972731722.db2.gz	VADUIOGDCMYHID-DCXXXQMHSA-N	1	0	371.481	1.595	20	30		FDEDRO
COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000775817893	972751813	/nfs/dbraw/zinc/75/18/13/972751813.db2.gz	VCPDSJZYJMAPPX-RHSMWYFYSA-N	1	0	358.442	1.631	20	30		FDEDRO
Cn1c(CC#N)nn(CN2CCC(C)([NH+]3CCOCC3)CC2)c1=S	ZINC000863314452	972789043	/nfs/dbraw/zinc/78/90/43/972789043.db2.gz	KNTSCFKEOWPJHM-UHFFFAOYSA-N	1	0	350.492	1.161	20	30		FDEDRO
C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000119461319	972920724	/nfs/dbraw/zinc/92/07/24/972920724.db2.gz	LZDOGXAOZIWPNF-WFASDCNBSA-N	1	0	362.405	1.465	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@H+](CC3CC(C)(C)C3)C[C@H]2O)CCOCC1	ZINC001198239096	972927101	/nfs/dbraw/zinc/92/71/01/972927101.db2.gz	FBQHBGVYYXHQMO-IAGOWNOFSA-N	1	0	350.503	1.957	20	30		FDEDRO
CC(C)(C)OC(=O)NC/C=C/C[NH2+]C[C@H](O)CC1(C#N)CCOCC1	ZINC000863553462	973010260	/nfs/dbraw/zinc/01/02/60/973010260.db2.gz	CAJFAVAGMSHCLE-MBVDDHJVSA-N	1	0	353.463	1.728	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2=O)CCOCC1	ZINC000863554174	973012445	/nfs/dbraw/zinc/01/24/45/973012445.db2.gz	SJSOEVFVVOEEGP-RTBURBONSA-N	1	0	371.481	1.839	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]CCCNC(=O)/C=C\c2ccccc2)CCOCC1	ZINC000863555355	973012476	/nfs/dbraw/zinc/01/24/76/973012476.db2.gz	QRXJGXDDNQUVGK-FQQSSWHASA-N	1	0	371.481	1.867	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]C[C@@H](O)COc2cccc(F)c2)CCOCC1	ZINC000863559950	973016639	/nfs/dbraw/zinc/01/66/39/973016639.db2.gz	ZLYCLRFLDHLABC-JKSUJKDBSA-N	1	0	352.406	1.226	20	30		FDEDRO
CC(C)(C)OC(=O)NC1(C[NH2+]C[C@@H](O)CC2(C#N)CC2)CCOCC1	ZINC000863573390	973025764	/nfs/dbraw/zinc/02/57/64/973025764.db2.gz	OMHVZTSAWQDEAC-AWEZNQCLSA-N	1	0	353.463	1.705	20	30		FDEDRO
C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)CN(C)CCC#N)CN1C(=O)OC(C)(C)C	ZINC000863582857	973033646	/nfs/dbraw/zinc/03/36/46/973033646.db2.gz	VRXWCKLFZJDFEL-BZUAXINKSA-N	1	0	354.495	1.570	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)(F)F	ZINC000863597121	973050666	/nfs/dbraw/zinc/05/06/66/973050666.db2.gz	FNWFHNSGXIYJDC-DGAVXFQQSA-N	1	0	359.392	1.362	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](CCO)[C@H](CO)C2)c1C	ZINC001198754091	973484170	/nfs/dbraw/zinc/48/41/70/973484170.db2.gz	TXOQMGPVJOKBFP-ROUUACIJSA-N	1	0	359.470	1.473	20	30		FDEDRO
C#CCC[NH2+][C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)c1ccccc1OC	ZINC001198903337	973636513	/nfs/dbraw/zinc/63/65/13/973636513.db2.gz	ZXBIXGHJGZJFIF-HLLBOEOZSA-N	1	0	357.454	1.367	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)c2ccco2)C1	ZINC001198879545	973649221	/nfs/dbraw/zinc/64/92/21/973649221.db2.gz	HDUGHIVBVVRCKI-ARFHVFGLSA-N	1	0	363.458	1.306	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C(=O)CCC)C1	ZINC001198955990	973740252	/nfs/dbraw/zinc/74/02/52/973740252.db2.gz	NUQDPUORWWVHML-KZNAEPCWSA-N	1	0	365.518	1.685	20	30		FDEDRO
C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+](CC2CC2)CC2CCC2)c1=O	ZINC000794711440	973780803	/nfs/dbraw/zinc/78/08/03/973780803.db2.gz	SCQAVOXGJCMWIZ-UHFFFAOYSA-N	1	0	360.458	1.013	20	30		FDEDRO
Cc1ncsc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC#Cc2ccccc2)C1	ZINC001198944742	973784590	/nfs/dbraw/zinc/78/45/90/973784590.db2.gz	MNDHEKYIYCZRCU-QZTJIDSGSA-N	1	0	369.490	1.597	20	30		FDEDRO
O=C(CC#Cc1ccccc1)N[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@H]1O	ZINC001198944985	973786632	/nfs/dbraw/zinc/78/66/32/973786632.db2.gz	RZVHUHKLTZSDML-XUVXKRRUSA-N	1	0	356.466	1.549	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCCOc2ccc(F)cc2)C[C@H]1O	ZINC001199331186	974197609	/nfs/dbraw/zinc/19/76/09/974197609.db2.gz	LCMDVZLZHVOEAM-ZTFGCOKTSA-N	1	0	366.433	1.347	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]CCc1ccc(S(N)(=O)=O)cc1	ZINC000865410477	974282261	/nfs/dbraw/zinc/28/22/61/974282261.db2.gz	WBOIXLDSPDBTMF-UHFFFAOYSA-N	1	0	358.467	1.604	20	30		FDEDRO
N#Cc1cnc(C(=O)N(c2ncnc3ccccc32)C2CC[NH2+]CC2)cn1	ZINC001199666445	974453407	/nfs/dbraw/zinc/45/34/07/974453407.db2.gz	WJAIVQTXINBFQK-UHFFFAOYSA-N	1	0	359.393	1.690	20	30		FDEDRO
CCOC(=O)[C@H](C)NC(=S)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC001199863252	974544777	/nfs/dbraw/zinc/54/47/77/974544777.db2.gz	VMTCBDOWRASNQC-AWEZNQCLSA-N	1	0	374.510	1.938	20	30		FDEDRO
CN(CC[N@H+](C)CCO)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC001200081528	974672447	/nfs/dbraw/zinc/67/24/47/974672447.db2.gz	ZVLZASKLMMXJAB-UHFFFAOYSA-N	1	0	352.438	1.869	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOc1ccc(F)cc1	ZINC001110551799	974752500	/nfs/dbraw/zinc/75/25/00/974752500.db2.gz	BUJHUTUXONMFDM-WLWJZTKJSA-N	1	0	360.429	1.964	20	30		FDEDRO
C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1)NC(N)=O	ZINC001110557918	974920935	/nfs/dbraw/zinc/92/09/35/974920935.db2.gz	YLELCJBZBWSVCP-DXEWXGHRSA-N	1	0	355.442	1.227	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CCCO1	ZINC001201041600	974955772	/nfs/dbraw/zinc/95/57/72/974955772.db2.gz	DKYCHKVJJCNJGA-XWTMOSNGSA-N	1	0	363.502	1.322	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCCO1	ZINC001201042365	974956346	/nfs/dbraw/zinc/95/63/46/974956346.db2.gz	KJJDIZYSAHXIDO-XWTMOSNGSA-N	1	0	352.475	1.211	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C1CCN(C(=O)[C@H]2OCC[C@H]2CC)CC1	ZINC001201125142	974967564	/nfs/dbraw/zinc/96/75/64/974967564.db2.gz	IVNOTPCWVBHZCH-APWZRJJASA-N	1	0	365.518	1.807	20	30		FDEDRO
Cc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cc1C#N	ZINC001201292864	974991010	/nfs/dbraw/zinc/99/10/10/974991010.db2.gz	NIJPPIJPPZFIGH-UHFFFAOYSA-N	1	0	371.466	1.814	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC=CC[C@H]2C(F)(F)F)CC1	ZINC001201259808	974992427	/nfs/dbraw/zinc/99/24/27/974992427.db2.gz	FMLJTJZWJGXCFS-HUUCEWRRSA-N	1	0	371.403	1.461	20	30		FDEDRO
C#C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CCCO1	ZINC000776155930	975006616	/nfs/dbraw/zinc/00/66/16/975006616.db2.gz	DIJZHGBKBIAPSE-WOJBJXKFSA-N	1	0	371.481	1.623	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCOCCCC)C1	ZINC001201439856	975062129	/nfs/dbraw/zinc/06/21/29/975062129.db2.gz	ZKSTZBHHGOCPOD-KURKYZTESA-N	1	0	354.491	1.601	20	30		FDEDRO
C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccccc2)CCCO1	ZINC001201611822	975097764	/nfs/dbraw/zinc/09/77/64/975097764.db2.gz	INROUOJMJGKBMH-ZCNNSNEGSA-N	1	0	356.466	1.995	20	30		FDEDRO
CC[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)N(CC)CCC#N)CC1	ZINC001201722189	975131377	/nfs/dbraw/zinc/13/13/77/975131377.db2.gz	XPPXVVYEPIXGHS-SJORKVTESA-N	1	0	364.490	1.144	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)[C@@H]1CCCO1	ZINC000776227311	975189953	/nfs/dbraw/zinc/18/99/53/975189953.db2.gz	JJJJGSQTGXTTDV-MSOLQXFVSA-N	1	0	362.518	1.226	20	30		FDEDRO
C#C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)[C@H]1CCCO1	ZINC000776229254	975210904	/nfs/dbraw/zinc/21/09/04/975210904.db2.gz	VPNCSTNBFMNPRI-IYWMVGAKSA-N	1	0	371.481	1.349	20	30		FDEDRO
C#C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@@H]1CCCO1	ZINC000776230396	975220120	/nfs/dbraw/zinc/22/01/20/975220120.db2.gz	LAHRBXQBMZVXOU-MOPGFXCFSA-N	1	0	354.454	1.812	20	30		FDEDRO
C[NH+]1CCN(CCOc2ccc(NC(=O)[C@@]3(C#N)CCCOC3)cc2)CC1	ZINC000866189864	975468025	/nfs/dbraw/zinc/46/80/25/975468025.db2.gz	XTGTVLMEEVAVTN-HXUWFJFHSA-N	1	0	372.469	1.572	20	30		FDEDRO
C[NH+](C)CCOc1ccc(/C=C/C(=O)N2CCN(C(=O)CC#N)CC2)cc1	ZINC000847579115	975856099	/nfs/dbraw/zinc/85/60/99/975856099.db2.gz	DDSJWLJIMSMMEW-VMPITWQZSA-N	1	0	370.453	1.225	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000847607396	975903103	/nfs/dbraw/zinc/90/31/03/975903103.db2.gz	KCIGXAMLCWDFGM-NVXWUHKLSA-N	1	0	355.438	1.770	20	30		FDEDRO
COCC(=O)N(C)CC(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000847747769	976019204	/nfs/dbraw/zinc/01/92/04/976019204.db2.gz	QEVAVYZUVQICEF-UHFFFAOYSA-N	1	0	373.453	1.440	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O	ZINC001110595267	976209044	/nfs/dbraw/zinc/20/90/44/976209044.db2.gz	IKOBKDFMZWYWGD-MCIONIFRSA-N	1	0	367.877	1.636	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000867491297	976244986	/nfs/dbraw/zinc/24/49/86/976244986.db2.gz	PEFPAZHDFSOKRL-UHFFFAOYSA-N	1	0	364.534	1.430	20	30		FDEDRO
CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)[C@]1(C#N)CCCOC1	ZINC000867559982	976370097	/nfs/dbraw/zinc/37/00/97/976370097.db2.gz	PZHDCPJJUXOUDP-VQTJNVASSA-N	1	0	357.454	1.402	20	30		FDEDRO
C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1cccc(NS(C)(=O)=O)c1	ZINC000848399046	976718321	/nfs/dbraw/zinc/71/83/21/976718321.db2.gz	ZDKLBGWCXAYTRY-WFASDCNBSA-N	1	0	352.460	1.647	20	30		FDEDRO
C[NH+](C)CCCNC(=S)NN=Cc1nnn(-c2ccccc2)c1C1CC1	ZINC000848405800	976720641	/nfs/dbraw/zinc/72/06/41/976720641.db2.gz	ZFYCZCYUGPUSEP-UHFFFAOYSA-N	1	0	371.514	1.894	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1	ZINC000867806603	976903696	/nfs/dbraw/zinc/90/36/96/976903696.db2.gz	ARNORFWZEIEUTI-ZFWWWQNUSA-N	1	0	363.439	1.060	20	30		FDEDRO
N#Cc1ccc(N2CCN(S(=O)(=O)CCC[NH+]3CCCC3)CC2)cc1	ZINC000867815239	976926236	/nfs/dbraw/zinc/92/62/36/976926236.db2.gz	OCAGCLHKSWXHOG-UHFFFAOYSA-N	1	0	362.499	1.496	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC(C(=O)N2CCCC2)CC1	ZINC000867947189	977127067	/nfs/dbraw/zinc/12/70/67/977127067.db2.gz	BJVFVFCWCMXDSI-IBGZPJMESA-N	1	0	366.465	1.606	20	30		FDEDRO
Cc1cccc(N(CCC(N)=O)C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)c1	ZINC000867947839	977128439	/nfs/dbraw/zinc/12/84/39/977128439.db2.gz	LKMFYQGMHRRKBY-FQEVSTJZSA-N	1	0	362.433	1.962	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCNC(=O)C[C@H]1c1ccccc1	ZINC000867949244	977130171	/nfs/dbraw/zinc/13/01/71/977130171.db2.gz	SDWBUBFTIOIVEJ-FPOVZHCZSA-N	1	0	374.444	1.835	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCc1cccc(C(=O)NC2CC2)c1	ZINC000867949266	977130239	/nfs/dbraw/zinc/13/02/39/977130239.db2.gz	SSKGPZQAUZBAQX-HXUWFJFHSA-N	1	0	374.444	1.954	20	30		FDEDRO
COC(=O)c1ccc(CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)s1	ZINC000867980326	977164370	/nfs/dbraw/zinc/16/43/70/977164370.db2.gz	QZLNRKXOSHSSGG-INIZCTEOSA-N	1	0	355.419	1.910	20	30		FDEDRO
CCS(=O)(=O)N1CCC(C[NH+]=C(NCc2ccccc2)N(C)C)CC1	ZINC000849081503	977307147	/nfs/dbraw/zinc/30/71/47/977307147.db2.gz	BVENBRLAMAVUQH-UHFFFAOYSA-N	1	0	366.531	1.756	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)N[C@@H]1C[C@H]1c1c(F)cccc1Cl	ZINC000849105206	977317589	/nfs/dbraw/zinc/31/75/89/977317589.db2.gz	HOAPLSGNNJVLGR-IUODEOHRSA-N	1	0	354.857	1.832	20	30		FDEDRO
C=CCNC(=[NH2+])NCC1(N2CCN(c3ccccc3)CC2)CCOCC1	ZINC000849109842	977320168	/nfs/dbraw/zinc/32/01/68/977320168.db2.gz	JOKJRZGKEBIZBC-UHFFFAOYSA-N	1	0	357.502	1.658	20	30		FDEDRO
COc1ccc(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1C#N	ZINC000868206189	977345857	/nfs/dbraw/zinc/34/58/57/977345857.db2.gz	IWEYYIKTWCUXCO-CQSZACIVSA-N	1	0	371.363	1.524	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)CCO1	ZINC000868209576	977347066	/nfs/dbraw/zinc/34/70/66/977347066.db2.gz	KBPRYBVUBQKMBL-BPNCWPANSA-N	1	0	356.348	1.919	20	30		FDEDRO
N#Cc1cccc([C@H](NC(=O)N2CCCO[C@H](C[NH3+])C2)C(F)(F)F)c1	ZINC000868210887	977348069	/nfs/dbraw/zinc/34/80/69/977348069.db2.gz	RDFYARDSZPYTKR-KGLIPLIRSA-N	1	0	356.348	1.921	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)cc1	ZINC000868216910	977352867	/nfs/dbraw/zinc/35/28/67/977352867.db2.gz	MAJHBYIQTVYZPU-OALUTQOASA-N	1	0	369.469	1.253	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1C#N	ZINC000868247612	977387612	/nfs/dbraw/zinc/38/76/12/977387612.db2.gz	GDCPXIHIADUTGF-MRXNPFEDSA-N	1	0	356.426	1.496	20	30		FDEDRO
Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)N(CCC#N)CC(F)(F)F)cn1	ZINC000849550947	977731768	/nfs/dbraw/zinc/73/17/68/977731768.db2.gz	AFTBTJCDVOQYQR-KGLIPLIRSA-N	1	0	357.380	1.760	20	30		FDEDRO
CC(C)C[C@H](NC(=O)[C@]1(C#N)CCCOC1)C(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000868545119	977757310	/nfs/dbraw/zinc/75/73/10/977757310.db2.gz	MKUGAMHYVHMHKG-BXWFABGCSA-N	1	0	364.490	1.000	20	30		FDEDRO
C#CCCN(CC(F)(F)F)C(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1	ZINC000849575933	977778720	/nfs/dbraw/zinc/77/87/20/977778720.db2.gz	BQEGSMWMUQLOKR-CABCVRRESA-N	1	0	356.392	1.870	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1	ZINC000850550215	978433069	/nfs/dbraw/zinc/43/30/69/978433069.db2.gz	NTHOARCDUUPJIS-ZDUSSCGKSA-N	1	0	362.405	1.656	20	30		FDEDRO
C#CCN(Cc1ccccc1)C(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1	ZINC000851678872	978994184	/nfs/dbraw/zinc/99/41/84/978994184.db2.gz	MJTZNVSAGYMTGY-UHFFFAOYSA-N	1	0	370.497	1.822	20	30		FDEDRO
COCC[N@H+](Cc1ccc(C#N)cc1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000851739837	979023499	/nfs/dbraw/zinc/02/34/99/979023499.db2.gz	PRHXFGSSPDLEEP-HXUWFJFHSA-N	1	0	353.422	1.380	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1	ZINC000968005378	1014547056	/nfs/dbraw/zinc/54/70/56/1014547056.db2.gz	OHTCVIGNULTVAX-JQHSSLGASA-N	1	0	363.502	1.369	20	30		FDEDRO
N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@H+]2CC[C@@H](CF)C2)CC1	ZINC000880299774	979078213	/nfs/dbraw/zinc/07/82/13/979078213.db2.gz	XRPDFXQYGZXVGB-YJBOKZPZSA-N	1	0	362.424	1.826	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](c3nccs3)C2)CC1	ZINC000880319425	979095485	/nfs/dbraw/zinc/09/54/85/979095485.db2.gz	GGISBAPRKRDAHD-HZPDHXFCSA-N	1	0	361.515	1.625	20	30		FDEDRO
C#CCC1(O)CC[NH+]([C@@H](C)C(=O)N2CCC[C@H](C(=O)OCC)C2)CC1	ZINC000880479823	979220888	/nfs/dbraw/zinc/22/08/88/979220888.db2.gz	ZFNBCDMZQHRALD-HOTGVXAUSA-N	1	0	350.459	1.027	20	30		FDEDRO
C#CCC1(O)CC[NH+]([C@@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)CC1	ZINC000880482108	979223088	/nfs/dbraw/zinc/22/30/88/979223088.db2.gz	XVNZCRTXKNMIRG-HNNXBMFYSA-N	1	0	358.438	1.328	20	30		FDEDRO
C#CCC1(O)CC[NH+]([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)CC1	ZINC000880483660	979224402	/nfs/dbraw/zinc/22/44/02/979224402.db2.gz	IOLYMDQDNPOCLB-QAPCUYQASA-N	1	0	352.475	1.597	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC[C@@H]([NH+]2CCOCC2)CC1	ZINC000852009896	979270781	/nfs/dbraw/zinc/27/07/81/979270781.db2.gz	QLRCPPDUSWMDCJ-MOPGFXCFSA-N	1	0	357.454	1.959	20	30		FDEDRO
COc1ccc(C[N@H+](CCO)C[C@@H](O)COc2ccc(C#N)cc2)cc1	ZINC000880569970	979314756	/nfs/dbraw/zinc/31/47/56/979314756.db2.gz	NJGXIGINMMEZMP-GOSISDBHSA-N	1	0	356.422	1.801	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1C[C@H](O)CC2(CCOCC2)C1	ZINC000880580063	979324206	/nfs/dbraw/zinc/32/42/06/979324206.db2.gz	CAZXUNOCMLKRNV-MRXNPFEDSA-N	1	0	368.433	1.149	20	30		FDEDRO
C#C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)C1CCOCC1	ZINC000852078097	979332874	/nfs/dbraw/zinc/33/28/74/979332874.db2.gz	KQKKVCCJXNIXBO-QGZVFWFLSA-N	1	0	351.491	1.603	20	30		FDEDRO
C#C[C@@](C)(CC)[NH2+]CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852097051	979349943	/nfs/dbraw/zinc/34/99/43/979349943.db2.gz	JUPGVRFZCGPVTB-SFHVURJKSA-N	1	0	366.483	1.478	20	30		FDEDRO
C#C[C@@](C)(CC)[NH2+]CC(=O)N(CC)c1c(N)n(CCCC)c(=O)[nH]c1=O	ZINC000852099966	979349982	/nfs/dbraw/zinc/34/99/82/979349982.db2.gz	DUETYAOYPITKCN-SFHVURJKSA-N	1	0	363.462	1.076	20	30		FDEDRO
CN1c2ccccc2C(C)(C)/C1=C/C(=O)Cn1cc(C[C@@H]([NH3+])CO)nn1	ZINC000880983853	979562079	/nfs/dbraw/zinc/56/20/79/979562079.db2.gz	RGUFPGNIYKXUCU-ODGFMFMFSA-N	1	0	355.442	1.021	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)CC3(C#N)CCOCC3)cc2)CC1	ZINC000881855418	980221197	/nfs/dbraw/zinc/22/11/97/980221197.db2.gz	VXDVTPDYHRIFTR-UHFFFAOYSA-N	1	0	356.470	1.765	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCN(C(=O)COc2cc(C)cc(C)c2)CC1	ZINC001137547816	980296580	/nfs/dbraw/zinc/29/65/80/980296580.db2.gz	PAJMZMYVPOLFOG-UHFFFAOYSA-N	1	0	373.497	1.861	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1	ZINC000882620724	980760959	/nfs/dbraw/zinc/76/09/59/980760959.db2.gz	SVNSMLNYUYHUJA-LSDHHAIUSA-N	1	0	351.476	1.318	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)CCN1c1cc[nH+]cc1	ZINC000882621197	980761405	/nfs/dbraw/zinc/76/14/05/980761405.db2.gz	ONCNVORUOBHSJA-ZDUSSCGKSA-N	1	0	360.414	1.992	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2F)CCN1c1cc[nH+]cc1	ZINC000882621230	980761573	/nfs/dbraw/zinc/76/15/73/980761573.db2.gz	PRWKZECESKXORQ-ZDUSSCGKSA-N	1	0	360.414	1.992	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(NC(=O)c3oc(C)cc3C)CC2)CC1	ZINC000857817358	981702714	/nfs/dbraw/zinc/70/27/14/981702714.db2.gz	SIMGQPBIEZMOMC-UHFFFAOYSA-N	1	0	371.481	1.962	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)CC1	ZINC000883062259	981920161	/nfs/dbraw/zinc/92/01/61/981920161.db2.gz	VZYVDMQLRWINOJ-SFHVURJKSA-N	1	0	359.470	1.858	20	30		FDEDRO
C#Cc1ccc(C[NH2+]Cc2cc(OC)c(OCC(N)=O)c(OC)c2)cc1	ZINC000883132611	981969901	/nfs/dbraw/zinc/96/99/01/981969901.db2.gz	XWAFIGGRNYGXFO-UHFFFAOYSA-N	1	0	354.406	1.839	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[C@@H]1CCOC1	ZINC000883213887	982017305	/nfs/dbraw/zinc/01/73/05/982017305.db2.gz	SFYXOZAVDZZHKV-BZUAXINKSA-N	1	0	367.490	1.540	20	30		FDEDRO
C[NH+](C)CC(=O)N1CCN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)CC1	ZINC000858423303	982042304	/nfs/dbraw/zinc/04/23/04/982042304.db2.gz	CGLCHZSKUZZYOH-UHFFFAOYSA-N	1	0	368.481	1.602	20	30		FDEDRO
C=CCC[C@H]([NH2+]Cc1nnc2n1CCNC2=O)[C@@H]1Cc2ccccc2O1	ZINC000883304718	982062609	/nfs/dbraw/zinc/06/26/09/982062609.db2.gz	DJMZATYPMDJTRG-HOCLYGCPSA-N	1	0	353.426	1.450	20	30		FDEDRO
C=C(C)C[C@@H](CO)NC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000883308577	982065368	/nfs/dbraw/zinc/06/53/68/982065368.db2.gz	SXVWEVOBDVUKIB-KRWDZBQOSA-N	1	0	362.474	1.104	20	30		FDEDRO
C=C(C)C[C@H](CO)NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1	ZINC000883332662	982076716	/nfs/dbraw/zinc/07/67/16/982076716.db2.gz	AAGKAMLZWZSENZ-GOSISDBHSA-N	1	0	361.486	1.770	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCN(Cc2cc3ccccc3[nH]2)CC1	ZINC000858493449	982078613	/nfs/dbraw/zinc/07/86/13/982078613.db2.gz	VCJHDPKEGBPJDT-UHFFFAOYSA-N	1	0	367.497	1.950	20	30		FDEDRO
C=CCC[C@@H]([NH2+]Cc1nnc2c(=O)n(C)ccn12)[C@@H]1Cc2ccccc2O1	ZINC000883337744	982084628	/nfs/dbraw/zinc/08/46/28/982084628.db2.gz	LSXRRVRCHUVASE-WBVHZDCISA-N	1	0	365.437	1.856	20	30		FDEDRO
C#CC1(F)CN(C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1	ZINC000883352083	982093126	/nfs/dbraw/zinc/09/31/26/982093126.db2.gz	RSTRZFBZPUIXSH-KRWDZBQOSA-N	1	0	372.444	1.251	20	30		FDEDRO
[NH3+]CCN(CC(F)(F)F)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F	ZINC000883472132	982178620	/nfs/dbraw/zinc/17/86/20/982178620.db2.gz	PHMZTISIRFAPMK-UHFFFAOYSA-N	1	0	372.237	1.894	20	30		FDEDRO
N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1cc2n(n1)CCN(Cc1ccccc1)C2	ZINC000883591351	982290079	/nfs/dbraw/zinc/29/00/79/982290079.db2.gz	ABMBCFWPLSEYEY-DOTOQJQBSA-N	1	0	365.441	1.132	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)CC1	ZINC000883769117	982455721	/nfs/dbraw/zinc/45/57/21/982455721.db2.gz	LVYKFQMUVXPXMC-UHFFFAOYSA-N	1	0	363.502	1.437	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)NC2CCCCC2)CC1	ZINC001202559774	982557464	/nfs/dbraw/zinc/55/74/64/982557464.db2.gz	MYVWRZWIUIWFFB-MSOLQXFVSA-N	1	0	363.502	1.607	20	30		FDEDRO
C[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000859138353	982568946	/nfs/dbraw/zinc/56/89/46/982568946.db2.gz	IPAPZXXCKIJWTE-QWHCGFSZSA-N	1	0	363.380	1.153	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1	ZINC000859140177	982570202	/nfs/dbraw/zinc/57/02/02/982570202.db2.gz	ZROLCKPWTXKFHZ-ROUUACIJSA-N	1	0	357.454	1.775	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)CCOCC1	ZINC000859158265	982583543	/nfs/dbraw/zinc/58/35/43/982583543.db2.gz	CEWYIIFZILIPNR-AEFFLSMTSA-N	1	0	352.475	1.718	20	30		FDEDRO
C#CC[C@H]1CCCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1	ZINC000883911864	982611462	/nfs/dbraw/zinc/61/14/62/982611462.db2.gz	BAEXCEDBSRNBLS-OALUTQOASA-N	1	0	362.518	1.228	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1ccc2c(c1)CC(=O)N2C	ZINC000859231490	982633791	/nfs/dbraw/zinc/63/37/91/982633791.db2.gz	HDGIWDPRXPUBOP-YOEHRIQHSA-N	1	0	357.454	1.927	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1	ZINC000859274475	982671475	/nfs/dbraw/zinc/67/14/75/982671475.db2.gz	RLUAAHOHIYVXIL-FUHWJXTLSA-N	1	0	356.426	1.467	20	30		FDEDRO
C[NH+](C)CCNC(=O)C1CCN(C(=O)C(C)(C)c2ccc(C#N)cc2)CC1	ZINC000859363691	982748394	/nfs/dbraw/zinc/74/83/94/982748394.db2.gz	SBFRNMPIKUIMBZ-UHFFFAOYSA-N	1	0	370.497	1.752	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1cccc(C(=O)NC3CC3)c1)C2	ZINC000884094114	982857702	/nfs/dbraw/zinc/85/77/02/982857702.db2.gz	BPFPTCHGLYOCKS-NGEICVOHSA-N	1	0	352.438	1.334	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NC[C@H]2CCN(c3cccc(OC)c3)C2)C1	ZINC000884116636	982894289	/nfs/dbraw/zinc/89/42/89/982894289.db2.gz	AYJWXTJAUSFKLJ-QZTJIDSGSA-N	1	0	370.497	1.918	20	30		FDEDRO
CC(C)Oc1ccc([C@H](O)CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc1	ZINC000884144130	982925003	/nfs/dbraw/zinc/92/50/03/982925003.db2.gz	BRDGVNLGQCLZKV-CAZWYBIWSA-N	1	0	357.454	1.763	20	30		FDEDRO
CC(C)Oc1ccc([C@@H](O)CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1	ZINC000884144133	982925118	/nfs/dbraw/zinc/92/51/18/982925118.db2.gz	BRDGVNLGQCLZKV-WXNRQPJFSA-N	1	0	357.454	1.763	20	30		FDEDRO
CCOC(=O)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccccc1	ZINC000884155538	982932790	/nfs/dbraw/zinc/93/27/90/982932790.db2.gz	FDBLOWLXFOREQQ-MUZJZNNISA-N	1	0	355.438	1.589	20	30		FDEDRO
CCOc1ccccc1N1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1	ZINC000884176190	982948333	/nfs/dbraw/zinc/94/83/33/982948333.db2.gz	ZADSLUYNUJSIKK-BQIYRTECSA-N	1	0	368.481	1.873	20	30		FDEDRO
Cc1ccccc1CN1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1	ZINC000884179139	982951739	/nfs/dbraw/zinc/95/17/39/982951739.db2.gz	GDVHRASDIDVKOJ-OBXNSHGQSA-N	1	0	352.482	1.779	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H](CN1CCOCC1)c1ccccc1)C2	ZINC000884180842	982954423	/nfs/dbraw/zinc/95/44/23/982954423.db2.gz	MAVMWOFPDLQJRS-JMDAGXMHSA-N	1	0	368.481	1.315	20	30		FDEDRO
CCN1C[C@@H](CN(C)C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)Oc2ccccc21	ZINC000884181602	982957300	/nfs/dbraw/zinc/95/73/00/982957300.db2.gz	KIJBJCNTFOXBFH-CXIVCQEWSA-N	1	0	368.481	1.872	20	30		FDEDRO
Cc1nccn1-c1ncccc1CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884198372	982973758	/nfs/dbraw/zinc/97/37/58/982973758.db2.gz	UIYPKORSYVOPNM-KOHRHEQBSA-N	1	0	350.426	1.331	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](O)Cc2ccccc2)[nH]1	ZINC001095327948	982984532	/nfs/dbraw/zinc/98/45/32/982984532.db2.gz	NGPAIOXXHJHKCK-UMGGQSCQSA-N	1	0	364.449	1.825	20	30		FDEDRO
COc1cccc(N2CC[C@H](NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)C2)c1	ZINC000884210278	982986506	/nfs/dbraw/zinc/98/65/06/982986506.db2.gz	VNGXZKGEQMBCLI-FZTQNYJHSA-N	1	0	354.454	1.529	20	30		FDEDRO
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884219895	982994277	/nfs/dbraw/zinc/99/42/77/982994277.db2.gz	ADMRKSXHNNSDRZ-BZYYEOTJSA-N	1	0	352.482	1.859	20	30		FDEDRO
Cc1nsc(N2CCCN(C(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CC2)n1	ZINC000884228411	983002599	/nfs/dbraw/zinc/00/25/99/983002599.db2.gz	PLLDUCZLHWVVAY-UUCFBXCCSA-N	1	0	360.487	1.025	20	30		FDEDRO
CC(C)(C#N)c1ccc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1	ZINC000332246500	983023891	/nfs/dbraw/zinc/02/38/91/983023891.db2.gz	BCLPSBGUKZOFMK-UHFFFAOYSA-N	1	0	368.481	1.868	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C1	ZINC000884261604	983036367	/nfs/dbraw/zinc/03/63/67/983036367.db2.gz	PJSCKOOYOHUVKK-UXHICEINSA-N	1	0	370.497	1.150	20	30		FDEDRO
Cn1cc([C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c2ccc(F)cc2)cn1	ZINC000884325424	983086445	/nfs/dbraw/zinc/08/64/45/983086445.db2.gz	QJIVDOJWWZNJQC-DIJWSFHESA-N	1	0	367.428	1.904	20	30		FDEDRO
COC(=O)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccc(F)cc1	ZINC000884334993	983093971	/nfs/dbraw/zinc/09/39/71/983093971.db2.gz	HUPUXSRSVCPRSO-PPKXHPOVSA-N	1	0	359.401	1.338	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1	ZINC000884369451	983119893	/nfs/dbraw/zinc/11/98/93/983119893.db2.gz	DOKYXNJPKKYABL-OKZBNKHCSA-N	1	0	357.454	1.166	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)COC(=O)c2cccc(C#CCO)c2)CC1	ZINC000860075716	983212714	/nfs/dbraw/zinc/21/27/14/983212714.db2.gz	IFPXKMFZKNBKBQ-UHFFFAOYSA-N	1	0	358.438	1.176	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1COC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1	ZINC000860530453	983433139	/nfs/dbraw/zinc/43/31/39/983433139.db2.gz	XMWZPCRYKTVQMC-HIFRSBDPSA-N	1	0	362.376	1.959	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](NC(C)=O)C1CCCC1)C2	ZINC001110789384	983550650	/nfs/dbraw/zinc/55/06/50/983550650.db2.gz	WHQYKXDBQZTGHL-AKHDSKFASA-N	1	0	363.502	1.605	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])c1	ZINC000653234263	1014968001	/nfs/dbraw/zinc/96/80/01/1014968001.db2.gz	IVOXHYZNBPIAFO-PBHICJAKSA-N	1	0	365.499	1.740	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1	ZINC000861530735	983765590	/nfs/dbraw/zinc/76/55/90/983765590.db2.gz	HHADKKOHVHYQGD-FASAQXTFSA-N	1	0	356.426	1.374	20	30		FDEDRO
C=C[C@@H](C(=O)[O-])[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1	ZINC001588663908	983797312	/nfs/dbraw/zinc/79/73/12/983797312.db2.gz	KZIZOXAWCMDSJT-SFHVURJKSA-N	1	0	359.470	1.586	20	30		FDEDRO
C#C[C@@H](NC(=O)NCC1([NH3+])CCOCC1)c1ccc(Br)cc1	ZINC000861667566	983810944	/nfs/dbraw/zinc/81/09/44/983810944.db2.gz	YCKHPDACRRWWNY-CQSZACIVSA-N	1	0	366.259	1.931	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc(Cl)n1C)C2	ZINC001110806521	983842553	/nfs/dbraw/zinc/84/25/53/983842553.db2.gz	UAFHAXAIUIHVAR-LPWJVIDDSA-N	1	0	365.865	1.099	20	30		FDEDRO
C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	ZINC000861752805	983900947	/nfs/dbraw/zinc/90/09/47/983900947.db2.gz	KQSBLPCUQSNYDB-GFCCVEGCSA-N	1	0	356.451	1.709	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1	ZINC000861784052	983919121	/nfs/dbraw/zinc/91/91/21/983919121.db2.gz	QCVRLHAOGZBYAW-QHAWAJNXSA-N	1	0	363.461	1.798	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1	ZINC000861837710	983949638	/nfs/dbraw/zinc/94/96/38/983949638.db2.gz	JBLJUWBWVWBJGY-UHFFFAOYSA-N	1	0	359.361	1.605	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@H](F)[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000861838125	983949681	/nfs/dbraw/zinc/94/96/81/983949681.db2.gz	RKGMRUTXTJNBHL-LSDHHAIUSA-N	1	0	355.454	1.653	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CCN2Cc2ccc(OC)cc2)CC1	ZINC000862754888	984521519	/nfs/dbraw/zinc/52/15/19/984521519.db2.gz	HIYWXYXBGGOBHN-LJQANCHMSA-N	1	0	355.482	1.731	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)CC(C)(C)C	ZINC001137214878	984835357	/nfs/dbraw/zinc/83/53/57/984835357.db2.gz	GJRHOFQXWXXJSJ-AWEZNQCLSA-N	1	0	352.479	1.936	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cnc4nccn4c3)CC2)c1	ZINC000869164198	984919641	/nfs/dbraw/zinc/91/96/41/984919641.db2.gz	KDNKNWFBOUWXPJ-UHFFFAOYSA-N	1	0	360.421	1.995	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1	ZINC000884879213	984924638	/nfs/dbraw/zinc/92/46/38/984924638.db2.gz	VXZMTZDXJYLMGO-GOSISDBHSA-N	1	0	368.481	1.967	20	30		FDEDRO
CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)[C@@]3(C#N)CCCOC3)C2)ccn1	ZINC000869350292	985043917	/nfs/dbraw/zinc/04/39/17/985043917.db2.gz	YMKBNRMOSBDFOO-UYAOXDASSA-N	1	0	372.469	1.833	20	30		FDEDRO
C=CCN(CC1CCCCC1)C(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F	ZINC000885280436	985284116	/nfs/dbraw/zinc/28/41/16/985284116.db2.gz	OYVONASKIWZQSE-OAHLLOKOSA-N	1	0	357.445	1.942	20	30		FDEDRO
C=CCCC1(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CCCC1	ZINC000885291648	985295116	/nfs/dbraw/zinc/29/51/16/985295116.db2.gz	MWNUGOWISMZANA-AWEZNQCLSA-N	1	0	357.445	1.990	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C2CC2)C2CCOCC2)CC1	ZINC000653392441	1015121109	/nfs/dbraw/zinc/12/11/09/1015121109.db2.gz	AQTXKIGQYNXHPM-SFHVURJKSA-N	1	0	363.502	1.465	20	30		FDEDRO
C[C@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)c1ccc(C#N)cc1F	ZINC000885845449	985691507	/nfs/dbraw/zinc/69/15/07/985691507.db2.gz	KBSWKOPCMUIIBP-ZDUSSCGKSA-N	1	0	360.414	1.992	20	30		FDEDRO
C[C@@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)c1cc(F)cc(C#N)c1	ZINC000885847231	985695411	/nfs/dbraw/zinc/69/54/11/985695411.db2.gz	FYMNMNUBCMGVMN-CYBMUJFWSA-N	1	0	360.414	1.992	20	30		FDEDRO
C#CC[C@H]1CC[N@@H+](CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OC)C1	ZINC000886356357	986094024	/nfs/dbraw/zinc/09/40/24/986094024.db2.gz	YKHXADXUARUBHL-KXBFYZLASA-N	1	0	367.449	1.713	20	30		FDEDRO
C#CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)C1	ZINC000886361674	986100636	/nfs/dbraw/zinc/10/06/36/986100636.db2.gz	QPKPCQNGFYKPQL-QLFBSQMISA-N	1	0	363.483	1.245	20	30		FDEDRO
C#CC[C@H]1CC[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1	ZINC000886363910	986103683	/nfs/dbraw/zinc/10/36/83/986103683.db2.gz	ICYPCHVLOZBRKQ-IRXDYDNUSA-N	1	0	356.495	1.802	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(CCNC(=O)N(C)C)cc2)CC1	ZINC000870614988	986158190	/nfs/dbraw/zinc/15/81/90/986158190.db2.gz	IYMWHMNDUCNOHS-UHFFFAOYSA-N	1	0	356.470	1.784	20	30		FDEDRO
C#CCN(C(=O)c1cc(=O)[nH]cc1Br)C1CC[NH+](C)CC1	ZINC000886571050	986369894	/nfs/dbraw/zinc/36/98/94/986369894.db2.gz	HDBQNEAAEHGFEE-UHFFFAOYSA-N	1	0	352.232	1.719	20	30		FDEDRO
C#CCN(C(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C1CC[NH+](C)CC1	ZINC000886578960	986380277	/nfs/dbraw/zinc/38/02/77/986380277.db2.gz	SDOWFLYQBVDUDE-UHFFFAOYSA-N	1	0	359.411	1.769	20	30		FDEDRO
C#CCN(C(=O)CN1c2ccccc2O[C@H](C)C1=O)C1CC[NH+](C)CC1	ZINC000886585075	986389901	/nfs/dbraw/zinc/38/99/01/986389901.db2.gz	GQPCSTKSYRIGMI-OAHLLOKOSA-N	1	0	355.438	1.357	20	30		FDEDRO
C#CCN(C(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O)C1CC[NH+](C)CC1	ZINC000886587391	986393340	/nfs/dbraw/zinc/39/33/40/986393340.db2.gz	URUQXFOWSGRACS-FOIQADDNSA-N	1	0	374.485	1.043	20	30		FDEDRO
C#CCN1CCC[C@H]([NH2+][C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)C1	ZINC000886660894	986465459	/nfs/dbraw/zinc/46/54/59/986465459.db2.gz	IDLURQQYODTMTE-WMZOPIPTSA-N	1	0	361.511	1.975	20	30		FDEDRO
C#CCN1CCC[C@@H]([NH2+][C@H](C)CC(=O)N2CCC(C(=O)OCC)CC2)C1	ZINC000886663335	986466601	/nfs/dbraw/zinc/46/66/01/986466601.db2.gz	YJPKFUSBUYHAFL-SJLPKXTDSA-N	1	0	363.502	1.254	20	30		FDEDRO
C=CCC1(O)CC[NH+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1	ZINC000886764188	986566521	/nfs/dbraw/zinc/56/65/21/986566521.db2.gz	NCOLQSGVPLUJFF-MRXNPFEDSA-N	1	0	359.426	1.267	20	30		FDEDRO
C=CCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1	ZINC000871053813	986621036	/nfs/dbraw/zinc/62/10/36/986621036.db2.gz	JHXVCQDWPXTORO-GDBMZVCRSA-N	1	0	360.506	1.913	20	30		FDEDRO
C=CCn1c(-c2ccc[nH]2)nnc1N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000871059637	986629501	/nfs/dbraw/zinc/62/95/01/986629501.db2.gz	CGILXTBCZTWSCV-UHFFFAOYSA-N	1	0	355.490	1.675	20	30		FDEDRO
COCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1	ZINC000871081678	986652185	/nfs/dbraw/zinc/65/21/85/986652185.db2.gz	AXXGHWNXQLZTID-QZTJIDSGSA-N	1	0	366.469	1.994	20	30		FDEDRO
COCCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)[C@H]1CCC[C@@H]1C#N	ZINC000871085260	986657892	/nfs/dbraw/zinc/65/78/92/986657892.db2.gz	SBAPJKOOJCIDIU-NCOADZHNSA-N	1	0	374.489	1.589	20	30		FDEDRO
N#CCCc1ccc(S(=O)(=O)N2CCNC[C@H]2c2ccncc2)cc1	ZINC000886886243	986689817	/nfs/dbraw/zinc/68/98/17/986689817.db2.gz	BJSMEZQYBNINIB-SFHVURJKSA-N	1	0	356.451	1.873	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(C#N)c1	ZINC000871806431	987252037	/nfs/dbraw/zinc/25/20/37/987252037.db2.gz	HIWNKAXIDCJIAV-QGZVFWFLSA-N	1	0	363.483	1.646	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1	ZINC000872192615	987498757	/nfs/dbraw/zinc/49/87/57/987498757.db2.gz	YBOBLABGMNBXKB-TZMCWYRMSA-N	1	0	373.375	1.432	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1	ZINC000888596661	987518948	/nfs/dbraw/zinc/51/89/48/987518948.db2.gz	CDKUQSVOWHEOMR-ROUUACIJSA-N	1	0	365.518	1.867	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1	ZINC000888596781	987519530	/nfs/dbraw/zinc/51/95/30/987519530.db2.gz	DKPRASFFTHHUIM-IRXDYDNUSA-N	1	0	351.491	1.477	20	30		FDEDRO
C#CCSCC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000888597862	987531175	/nfs/dbraw/zinc/53/11/75/987531175.db2.gz	QTLLTOAVJRGXFS-GOSISDBHSA-N	1	0	372.538	1.809	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CC3(CO2)CCOCC3)cc1	ZINC000872232369	987531265	/nfs/dbraw/zinc/53/12/65/987531265.db2.gz	YOLGYAQCAAMMEJ-MRXNPFEDSA-N	1	0	364.467	1.507	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C2	ZINC000872239588	987536398	/nfs/dbraw/zinc/53/63/98/987536398.db2.gz	RPNSLNVPSLPQRJ-SFHVURJKSA-N	1	0	351.431	1.961	20	30		FDEDRO
C(=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1)c1ccc(OCCN2CCOCC2)cc1	ZINC000872359560	987618672	/nfs/dbraw/zinc/61/86/72/987618672.db2.gz	IYLMFFBDDMEECQ-KDURUIRLSA-N	1	0	371.485	1.592	20	30		FDEDRO
COC(=O)CC[NH+]1CCC(N=Nc2cc(Br)ncn2)CC1	ZINC000872436172	987655922	/nfs/dbraw/zinc/65/59/22/987655922.db2.gz	UKIUGBYJQCTYKE-UHFFFAOYSA-N	1	0	356.224	1.666	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NCCN2CCC([NH+](C)C)CC2)c(C#N)c1	ZINC000872458545	987680714	/nfs/dbraw/zinc/68/07/14/987680714.db2.gz	KXCIMOAJODOQOC-UHFFFAOYSA-N	1	0	350.488	1.171	20	30		FDEDRO
N#CCCn1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1	ZINC000365645832	987947458	/nfs/dbraw/zinc/94/74/58/987947458.db2.gz	FZBSTAJSJPCGBK-KRWDZBQOSA-N	1	0	367.457	2.225	20	30		FDEDRO
COc1cc(/C=C/C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1OCC#N	ZINC000360108257	987948440	/nfs/dbraw/zinc/94/84/40/987948440.db2.gz	SKJBXVKOQTXANV-DGDBIBOCSA-N	1	0	371.437	1.590	20	30		FDEDRO
C[N@@H+]1CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CCC1(C)C	ZINC000872695242	987983683	/nfs/dbraw/zinc/98/36/83/987983683.db2.gz	UYEONDIDQZHIQD-HXUWFJFHSA-N	1	0	369.469	1.699	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(NC(=O)C2CC2)c1	ZINC000293211665	987990747	/nfs/dbraw/zinc/99/07/47/987990747.db2.gz	BEPIYYDXBNPMQB-UHFFFAOYSA-N	1	0	356.426	1.045	20	30		FDEDRO
C[C@@H](CCNC(=O)C(=O)Nc1ccc(C#N)cn1)[N@H+](C)Cc1ccccc1	ZINC000293313370	988030550	/nfs/dbraw/zinc/03/05/50/988030550.db2.gz	HEVMXUMBHVUKSF-HNNXBMFYSA-N	1	0	365.437	1.919	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH+]1CCC([C@H]2CCCCCN2C(=O)COC)CC1	ZINC000360588628	988082138	/nfs/dbraw/zinc/08/21/38/988082138.db2.gz	QNPJZUFWBVAZJV-SJLPKXTDSA-N	1	0	363.502	1.254	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(OC)c1	ZINC000360585710	988082788	/nfs/dbraw/zinc/08/27/88/988082788.db2.gz	SFDMNRHXTUYPKP-QZTJIDSGSA-N	1	0	374.481	1.860	20	30		FDEDRO
C[C@@H]1CCC[N@H+](CCNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1	ZINC000872837262	988155535	/nfs/dbraw/zinc/15/55/35/988155535.db2.gz	BSGYIIOXSHOMSU-MRXNPFEDSA-N	1	0	356.474	1.517	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C	ZINC000293735381	988185575	/nfs/dbraw/zinc/18/55/75/988185575.db2.gz	RWOALGGLDANILB-RHSMWYFYSA-N	1	0	360.458	1.122	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)CC1	ZINC000872881270	988229510	/nfs/dbraw/zinc/22/95/10/988229510.db2.gz	NONWTSGFFDXDNA-HUUCEWRRSA-N	1	0	355.504	1.103	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@H]1CC(=O)N(Cc2ccc(OC)cc2)C1	ZINC000293853689	988236643	/nfs/dbraw/zinc/23/66/43/988236643.db2.gz	APTZMHAORFHTMU-KRWDZBQOSA-N	1	0	357.454	1.115	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)CCN1C1CC[NH+](C)CC1	ZINC000361105200	988274764	/nfs/dbraw/zinc/27/47/64/988274764.db2.gz	RRYKKZGQHXIPOP-HNNXBMFYSA-N	1	0	369.469	1.124	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)C[C@@H](C)O1	ZINC000361299166	988330024	/nfs/dbraw/zinc/33/00/24/988330024.db2.gz	OPXRIKYNOGFASB-JXXFODFXSA-N	1	0	371.481	1.939	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)[C@]3(C#N)CC34CCCC4)ccn2)CC1	ZINC000294604433	988493777	/nfs/dbraw/zinc/49/37/77/988493777.db2.gz	VIELLVGJVWVJEC-HXUWFJFHSA-N	1	0	353.470	1.924	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@H](C#N)Cc3ccc(C#N)cc3)CC2)C1	ZINC000366201140	988535709	/nfs/dbraw/zinc/53/57/09/988535709.db2.gz	HJOQENOXKYFOLQ-VQTJNVASSA-N	1	0	365.481	1.479	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1	ZINC000873106720	988565453	/nfs/dbraw/zinc/56/54/53/988565453.db2.gz	KHYXUMKGHIMHQH-NWDGAFQWSA-N	1	0	369.343	1.233	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1	ZINC000873107430	988568779	/nfs/dbraw/zinc/56/87/79/988568779.db2.gz	NUQHNDWZYKXNND-DGCLKSJQSA-N	1	0	354.332	1.287	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1	ZINC000873108255	988571599	/nfs/dbraw/zinc/57/15/99/988571599.db2.gz	VXCNFNFKIPRDJW-GXSJLCMTSA-N	1	0	358.295	1.231	20	30		FDEDRO
C#CCC[NH+]1CCN(Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CC1	ZINC000299543856	988582000	/nfs/dbraw/zinc/58/20/00/988582000.db2.gz	FPABDRKPVFOELT-UHFFFAOYSA-N	1	0	362.437	1.662	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(O)(Cc2ccc(C)cc2)CC1	ZINC000366343788	988633963	/nfs/dbraw/zinc/63/39/63/988633963.db2.gz	UWCGCKFZUSCVAX-MRXNPFEDSA-N	1	0	359.470	1.765	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@]2(O)CCCc3ccc(OC)cc32)CC1	ZINC000362391655	988649821	/nfs/dbraw/zinc/64/98/21/988649821.db2.gz	HWQXJMFWXHKMGE-NRFANRHFSA-N	1	0	356.466	1.681	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccccc2N2CCC(C(N)=O)CC2)CC1	ZINC000299715704	988699179	/nfs/dbraw/zinc/69/91/79/988699179.db2.gz	XARWKSDKHBGWBX-UHFFFAOYSA-N	1	0	368.481	1.672	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1	ZINC000366712792	988753889	/nfs/dbraw/zinc/75/38/89/988753889.db2.gz	IPWFAXNAZOHVOR-WTGUMLROSA-N	1	0	373.497	1.902	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)CC1	ZINC000362889035	988765415	/nfs/dbraw/zinc/76/54/15/988765415.db2.gz	OPJUAUMYOCGMMB-FQEVSTJZSA-N	1	0	367.497	1.641	20	30		FDEDRO
C#CCO[C@H](C)C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1	ZINC000295911316	988812482	/nfs/dbraw/zinc/81/24/82/988812482.db2.gz	RDCMIDIBZHNCLA-CQSZACIVSA-N	1	0	358.442	1.879	20	30		FDEDRO
COc1cc(C#N)ccc1OCCCC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000363117592	988932921	/nfs/dbraw/zinc/93/29/21/988932921.db2.gz	ITUSKVZTJQSDIO-SJORKVTESA-N	1	0	373.453	1.705	20	30		FDEDRO
C=CCN1CC[C@@H]([NH+]2CCC(n3ncc(C(=O)OCC)c3C)CC2)C1=O	ZINC000367155882	988938089	/nfs/dbraw/zinc/93/80/89/988938089.db2.gz	HXNXDEZCQFUIBX-QGZVFWFLSA-N	1	0	360.458	1.792	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)c(F)c1	ZINC000367343687	988946114	/nfs/dbraw/zinc/94/61/14/988946114.db2.gz	ONZZJUIGEQVILI-UHFFFAOYSA-N	1	0	361.392	1.971	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1	ZINC000367770403	988967123	/nfs/dbraw/zinc/96/71/23/988967123.db2.gz	OMHMHVUWXZKPPV-XJKSGUPXSA-N	1	0	359.401	1.329	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCCN(c3cccc(F)c3)C2=O)CC1	ZINC000369378613	989049078	/nfs/dbraw/zinc/04/90/78/989049078.db2.gz	TWAOGSFWSFSACI-SFHVURJKSA-N	1	0	357.429	1.783	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)C(=O)CCO3)CC1	ZINC000369566914	989060870	/nfs/dbraw/zinc/06/08/70/989060870.db2.gz	QZUFKOBEQDKKAK-UHFFFAOYSA-N	1	0	357.410	1.357	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(C)(C)C[NH+](C)C)s1	ZINC000873839355	989294041	/nfs/dbraw/zinc/29/40/41/989294041.db2.gz	HHFUIFYUMXLMDC-UHFFFAOYSA-N	1	0	373.544	1.459	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCCN2C(=O)c2cccnc2)CC1	ZINC000370027082	989397530	/nfs/dbraw/zinc/39/75/30/989397530.db2.gz	PGXWBZZRQOOASS-IBGZPJMESA-N	1	0	368.481	1.680	20	30		FDEDRO
C[N@H+]1CC=C(CNC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1	ZINC000363720511	989408042	/nfs/dbraw/zinc/40/80/42/989408042.db2.gz	VALZTDMAXZTBOB-UHFFFAOYSA-N	1	0	354.389	2.266	20	30		FDEDRO
N#Cc1ncn(C2CC[NH+](CCC(=O)N3CCc4ccccc4C3)CC2)n1	ZINC000370128739	989475811	/nfs/dbraw/zinc/47/58/11/989475811.db2.gz	ALIABIWYAANLHP-UHFFFAOYSA-N	1	0	364.453	1.762	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)N(C)CCCN2CC[NH+](C)CC2)cc1	ZINC000297324592	989515228	/nfs/dbraw/zinc/51/52/28/989515228.db2.gz	BKPVDAVQGUJOLY-UHFFFAOYSA-N	1	0	358.486	1.478	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)C1=O	ZINC000370242927	989586081	/nfs/dbraw/zinc/58/60/81/989586081.db2.gz	LCZZGMFPHQGOBM-HUUCEWRRSA-N	1	0	368.466	1.774	20	30		FDEDRO
C[NH+]1CCC2(CCN(C(=O)C(=O)Nc3ccc(F)cc3C#N)CC2)CC1	ZINC000874013976	989641801	/nfs/dbraw/zinc/64/18/01/989641801.db2.gz	PWKDLEMNLBEGNP-UHFFFAOYSA-N	1	0	358.417	1.970	20	30		FDEDRO
C[NH+]1CCC2(CCN(C(=O)C(=O)Nc3cc(F)cc(C#N)c3)CC2)CC1	ZINC000874016387	989643819	/nfs/dbraw/zinc/64/38/19/989643819.db2.gz	VPJIBCYXHBWRNF-UHFFFAOYSA-N	1	0	358.417	1.970	20	30		FDEDRO
CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N(C)C[C@@H](C)C#N	ZINC000297722747	989658446	/nfs/dbraw/zinc/65/84/46/989658446.db2.gz	JTIDCNNRQROQPN-HKUYNNGSSA-N	1	0	370.497	1.975	20	30		FDEDRO
C[C@H](C#N)CN(C)C(=O)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000297787091	989691074	/nfs/dbraw/zinc/69/10/74/989691074.db2.gz	QSGNLTCTEGJXJS-AEFFLSMTSA-N	1	0	356.470	1.585	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](C2CC2)[NH+](C)C)s1	ZINC000874101618	989749177	/nfs/dbraw/zinc/74/91/77/989749177.db2.gz	GCJWTCOBNTZKRD-AWEZNQCLSA-N	1	0	371.528	1.211	20	30		FDEDRO
C=CCN(C(=O)[C@@H]1CC[C@@H](C(N)=O)O1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000370479054	989776375	/nfs/dbraw/zinc/77/63/75/989776375.db2.gz	YQYUUHDCFHMBLE-BZSNNMDCSA-N	1	0	357.454	1.308	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1	ZINC000874171438	989865019	/nfs/dbraw/zinc/86/50/19/989865019.db2.gz	DAMMDHAAYVXEFH-IIAWOOMASA-N	1	0	356.426	1.469	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c(F)cc1C#N	ZINC000874173329	989876162	/nfs/dbraw/zinc/87/61/62/989876162.db2.gz	GAGBEEIKYMRDSP-ABAIWWIYSA-N	1	0	360.389	1.197	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)Cc1ccc(OCC#N)cc1	ZINC000370823630	990018587	/nfs/dbraw/zinc/01/85/87/990018587.db2.gz	JXHVDNJODSRMJL-NEWSRXKRSA-N	1	0	357.454	1.842	20	30		FDEDRO
C#C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cccc(OCC[NH+](C)C)c2)CC1	ZINC000874373211	990210991	/nfs/dbraw/zinc/21/09/91/990210991.db2.gz	BLRSVNAIDRQLHC-WKILWMFISA-N	1	0	357.454	1.874	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NCCCC[NH+](C)C)s1	ZINC000874467001	990308067	/nfs/dbraw/zinc/30/80/67/990308067.db2.gz	HYCJICXAGLZCNL-UHFFFAOYSA-N	1	0	359.517	1.213	20	30		FDEDRO
C[C@H]1CN(C(=O)COc2ccccc2C#N)CCN1C1CC[NH+](C)CC1	ZINC000371463797	990450021	/nfs/dbraw/zinc/45/00/21/990450021.db2.gz	LLRUGDZSGAWAIR-INIZCTEOSA-N	1	0	356.470	1.564	20	30		FDEDRO
CCCC[C@@H](NC(N)=O)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000371535043	990508330	/nfs/dbraw/zinc/50/83/30/990508330.db2.gz	PSCXVVZHAZEVNT-QGZVFWFLSA-N	1	0	371.485	1.888	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)n2)c(F)c1	ZINC000371731918	990669153	/nfs/dbraw/zinc/66/91/53/990669153.db2.gz	GBTFNFMSTIXSTF-CQSZACIVSA-N	1	0	354.389	2.195	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1)[NH+]1CCN(C)CC1	ZINC000875048685	990792171	/nfs/dbraw/zinc/79/21/71/990792171.db2.gz	VMBDFUGIYIMARH-WOJBJXKFSA-N	1	0	369.513	1.597	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[NH+]2CCC(N3C(=O)CCCC3=O)CC2)cc1	ZINC000372321174	991014166	/nfs/dbraw/zinc/01/41/66/991014166.db2.gz	QBQUDZKGHMDROU-UHFFFAOYSA-N	1	0	368.437	1.890	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C2CCC2)[C@H]2CCOC2)CC1	ZINC000875182062	991022105	/nfs/dbraw/zinc/02/21/05/991022105.db2.gz	CUNZYJOYYQKJQK-WMZOPIPTSA-N	1	0	363.502	1.465	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)CC1	ZINC000372409858	991084742	/nfs/dbraw/zinc/08/47/42/991084742.db2.gz	LJQAMGASZLSDTC-UKBAYJJMSA-N	1	0	362.518	1.424	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+](Cc2ccccc2)[C@H](C)CN2CCOCC2)C1=O	ZINC000410365636	991267037	/nfs/dbraw/zinc/26/70/37/991267037.db2.gz	FCWWWOYOKYZYBS-QUCCMNQESA-N	1	0	357.498	1.996	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1	ZINC000875415737	991508788	/nfs/dbraw/zinc/50/87/88/991508788.db2.gz	SVPFIISNBJICAF-GUDVDZBRSA-N	1	0	355.482	1.843	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCCC12CC[NH+](C)CC2	ZINC000410734249	991755780	/nfs/dbraw/zinc/75/57/80/991755780.db2.gz	SPNFEAKQINTRJJ-UHFFFAOYSA-N	1	0	354.454	1.603	20	30		FDEDRO
CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)NCC(=O)NCC#N	ZINC000875578139	991759973	/nfs/dbraw/zinc/75/99/73/991759973.db2.gz	DFMLNMWCDSOBDI-QGZVFWFLSA-N	1	0	357.458	1.322	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C	ZINC000875601680	991789782	/nfs/dbraw/zinc/78/97/82/991789782.db2.gz	QBCZCTOSTTWFNT-DLBZAZTESA-N	1	0	363.433	1.089	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000875602008	991790798	/nfs/dbraw/zinc/79/07/98/991790798.db2.gz	XCJUSXRJEDRXJD-YTQUADARSA-N	1	0	371.481	1.025	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1	ZINC000875607985	991798937	/nfs/dbraw/zinc/79/89/37/991798937.db2.gz	REGFQSSFWRLMGT-SFHVURJKSA-N	1	0	363.502	1.256	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000875913688	992185613	/nfs/dbraw/zinc/18/56/13/992185613.db2.gz	GLNXGVXXBODWQO-IBGZPJMESA-N	1	0	373.497	1.741	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1	ZINC000875913748	992186506	/nfs/dbraw/zinc/18/65/06/992186506.db2.gz	HGAPJNTZPWLLQP-MOPGFXCFSA-N	1	0	359.470	1.481	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000875919168	992191916	/nfs/dbraw/zinc/19/19/16/992191916.db2.gz	COIHFWLSVREDIX-CEXWTWQISA-N	1	0	364.534	1.615	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](O)C[C@@H]2c2nc(CC)no2)CC1	ZINC000373462723	992230687	/nfs/dbraw/zinc/23/06/87/992230687.db2.gz	WQYDNJHNUOCYQZ-LSDHHAIUSA-N	1	0	363.462	1.490	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1	ZINC000373837855	992477353	/nfs/dbraw/zinc/47/73/53/992477353.db2.gz	AJLYBKNRFUWGGV-QRVBRYPASA-N	1	0	364.534	1.778	20	30		FDEDRO
CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1	ZINC000876280465	992520116	/nfs/dbraw/zinc/52/01/16/992520116.db2.gz	LCWLCLWIPNJLPK-LJQANCHMSA-N	1	0	368.481	1.779	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1	ZINC000876280460	992520524	/nfs/dbraw/zinc/52/05/24/992520524.db2.gz	AHVNRRAEBIQUQO-LJQANCHMSA-N	1	0	357.502	1.550	20	30		FDEDRO
CSC1([C@H](C#N)N(C)C(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)CC1	ZINC000876458009	992618292	/nfs/dbraw/zinc/61/82/92/992618292.db2.gz	MHXPITUBELEEIZ-JYJNAYRXSA-N	1	0	361.515	1.702	20	30		FDEDRO
COC[C@]1(C[NH+](C)C)COCCN1C(=O)[C@H](C)Cc1ccc(C#N)cc1	ZINC000876475971	992648805	/nfs/dbraw/zinc/64/88/05/992648805.db2.gz	SVRJXJYZZUBQDS-OXQOHEQNSA-N	1	0	359.470	1.542	20	30		FDEDRO
CCO[C@@H]1C[C@@H](O)C12CC[NH+](CC(=O)N(C)C1(C#N)CCCCC1)CC2	ZINC000374180124	992677013	/nfs/dbraw/zinc/67/70/13/992677013.db2.gz	ABGNKLCWNDNLHA-IAGOWNOFSA-N	1	0	363.502	1.923	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)s1	ZINC000876516325	992679270	/nfs/dbraw/zinc/67/92/70/992679270.db2.gz	PLAHGUJQGQNMDN-QWHCGFSZSA-N	1	0	371.528	1.259	20	30		FDEDRO
N#Cc1ccc(C2(C(=O)N3CCC[C@H](C(=O)NCC[NH3+])C3)CCCC2)cc1	ZINC000876517642	992680296	/nfs/dbraw/zinc/68/02/96/992680296.db2.gz	YKCBIURHFBFQDY-KRWDZBQOSA-N	1	0	368.481	1.684	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(S(=O)(=O)N(CC)CC)cc1	ZINC000876565686	992707993	/nfs/dbraw/zinc/70/79/93/992707993.db2.gz	YRDREYUBUQZURV-HNNXBMFYSA-N	1	0	373.906	1.803	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)CC1	ZINC000374233308	992713749	/nfs/dbraw/zinc/71/37/49/992713749.db2.gz	XCEPNUAMNAOGSZ-VQIMIIECSA-N	1	0	353.466	1.637	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F	ZINC000876581942	992719038	/nfs/dbraw/zinc/71/90/38/992719038.db2.gz	RNVRNUCVXAIDSC-SKDRFNHKSA-N	1	0	354.760	1.146	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](CC)c1ccccc1OCC(=O)NC	ZINC000876593870	992727714	/nfs/dbraw/zinc/72/77/14/992727714.db2.gz	JIEFQKHFIKDYFI-ZIAGYGMSSA-N	1	0	353.850	1.849	20	30		FDEDRO
[NH2+]=C(NCCC(=O)N1CCN(c2ccccc2)CC1)N1CCCCCC1	ZINC000126043757	992735135	/nfs/dbraw/zinc/73/51/35/992735135.db2.gz	NIKHSXMNEXXXLS-UHFFFAOYSA-N	1	0	357.502	1.916	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O	ZINC000876672113	992785038	/nfs/dbraw/zinc/78/50/38/992785038.db2.gz	STIUNCXBWYBDJX-HUUCEWRRSA-N	1	0	351.834	1.382	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1CN1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000876684573	992793357	/nfs/dbraw/zinc/79/33/57/992793357.db2.gz	GJYGMCPYBHKMDT-UHFFFAOYSA-N	1	0	355.486	1.364	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(N2CCOCC2)cc1C(=O)OC	ZINC000876716086	992823578	/nfs/dbraw/zinc/82/35/78/992823578.db2.gz	CZLVWMQYYATQAU-AWEZNQCLSA-N	1	0	367.833	1.718	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1	ZINC000876717134	992827015	/nfs/dbraw/zinc/82/70/15/992827015.db2.gz	XHYWDADYKRGNCN-MRXNPFEDSA-N	1	0	364.877	1.676	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(CC(=O)N2CCN(CC)CC2)CC1	ZINC000876755020	992877157	/nfs/dbraw/zinc/87/71/57/992877157.db2.gz	IITYZDWGOGJPCN-MRXNPFEDSA-N	1	0	370.925	1.249	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CCN(Cc2cc(OC)cc(OC)c2)C1	ZINC000876775721	992900305	/nfs/dbraw/zinc/90/03/05/992900305.db2.gz	DURIYYBHIQEWKG-RHSMWYFYSA-N	1	0	367.877	1.864	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CNC(=O)c2ccco2)C1	ZINC000374617483	992911191	/nfs/dbraw/zinc/91/11/91/992911191.db2.gz	CEKKHWSWCANYTL-ZIAGYGMSSA-N	1	0	362.430	1.122	20	30		FDEDRO
C=CCOc1ccc(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)cc1	ZINC000412480221	992937579	/nfs/dbraw/zinc/93/75/79/992937579.db2.gz	SOIFOVKKMDZVOT-UHFFFAOYSA-N	1	0	373.497	1.778	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CC[NH2+]C2(C)C)s1	ZINC000876872261	992942850	/nfs/dbraw/zinc/94/28/50/992942850.db2.gz	WRRLVFXMXGPOMK-GFCCVEGCSA-N	1	0	357.501	1.012	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC[C@H](Cn2ccnn2)C1	ZINC000876901171	992959688	/nfs/dbraw/zinc/95/96/88/992959688.db2.gz	ALOBWQVWHMTEKR-YJBOKZPZSA-N	1	0	350.426	1.275	20	30		FDEDRO
Cc1noc(COCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)n1	ZINC000374889059	992965006	/nfs/dbraw/zinc/96/50/06/992965006.db2.gz	AIFZSXFWGBEJFM-UHFFFAOYSA-N	1	0	369.425	1.569	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c(F)c1	ZINC000375012772	992982764	/nfs/dbraw/zinc/98/27/64/992982764.db2.gz	XFKZKUGOHWJPAI-CQSZACIVSA-N	1	0	361.392	1.971	20	30		FDEDRO
COC(=O)Cc1ccc(CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)cc1	ZINC000876994033	992998475	/nfs/dbraw/zinc/99/84/75/992998475.db2.gz	AIXYOIZHUYYCDJ-HXUWFJFHSA-N	1	0	363.417	1.777	20	30		FDEDRO
CNC(=O)CO[C@@H]1COC2(C1)CC[NH+](Cc1ccc(OCC#N)cc1)CC2	ZINC001137116449	993079715	/nfs/dbraw/zinc/07/97/15/993079715.db2.gz	DZDNWJSPXLONFS-SFHVURJKSA-N	1	0	373.453	1.475	20	30		FDEDRO
CC(C)CC(=O)N1CCCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000877289673	993182546	/nfs/dbraw/zinc/18/25/46/993182546.db2.gz	WUAIQELAPZTYGY-FQEVSTJZSA-N	1	0	368.481	1.852	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)[C@@]3(C(F)(F)F)CC[NH2+]C3)CC2)cn1	ZINC000877296320	993191967	/nfs/dbraw/zinc/19/19/67/993191967.db2.gz	AXUQFQGJLBPQPE-OAHLLOKOSA-N	1	0	353.348	1.144	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1	ZINC000877339893	993226128	/nfs/dbraw/zinc/22/61/28/993226128.db2.gz	HOTQZQZKVTUSOF-KRWDZBQOSA-N	1	0	351.406	1.776	20	30		FDEDRO
CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1cc(C#N)cnc1Cl	ZINC000877518551	993316236	/nfs/dbraw/zinc/31/62/36/993316236.db2.gz	STRJUTBVTFUSIR-GXTWGEPZSA-N	1	0	356.879	1.804	20	30		FDEDRO
C=CCOc1c(Cl)cc(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)cc1OC	ZINC000877719242	993472198	/nfs/dbraw/zinc/47/21/98/993472198.db2.gz	QNFLACGTWHVZTJ-BETUJISGSA-N	1	0	364.829	1.960	20	30		FDEDRO
CC(=O)[C@@](C#N)(CC[NH+]1CCC(C(=O)NCCO)CC1)c1ccccc1	ZINC000877993571	993595981	/nfs/dbraw/zinc/59/59/81/993595981.db2.gz	QXTVSOVGMFZPHA-FQEVSTJZSA-N	1	0	357.454	1.248	20	30		FDEDRO
CNC(=O)N[C@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000468684685	993605680	/nfs/dbraw/zinc/60/56/80/993605680.db2.gz	WJHJERKEKYOOIW-KRWDZBQOSA-N	1	0	352.442	1.967	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC[C@H](C(N)=O)C1	ZINC000469201270	993791121	/nfs/dbraw/zinc/79/11/21/993791121.db2.gz	SOKBQIGHZGJEPP-ZWKOTPCHSA-N	1	0	356.470	1.740	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1	ZINC000470088099	993949967	/nfs/dbraw/zinc/94/99/67/993949967.db2.gz	QQKQCYPCWSGSSX-ZDUSSCGKSA-N	1	0	360.458	1.123	20	30		FDEDRO
Cc1ncc(CNC(=O)CC[NH+]2CCN(c3ccc(C#N)nc3)CC2)s1	ZINC000878529810	994001133	/nfs/dbraw/zinc/00/11/33/994001133.db2.gz	MHFQAEPDSOMDGD-UHFFFAOYSA-N	1	0	370.482	1.547	20	30		FDEDRO
CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H]2CCCN(O)C2=O)cc1	ZINC000878691949	994124606	/nfs/dbraw/zinc/12/46/06/994124606.db2.gz	MKOSHYACJFPCJI-INIZCTEOSA-N	1	0	364.446	1.909	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+][C@@H]1CCN(CC)C1=O)C2	ZINC000965160798	1015864767	/nfs/dbraw/zinc/86/47/67/1015864767.db2.gz	OWUKKJKXQSKZHY-DMJMGIBUSA-N	1	0	361.486	1.215	20	30		FDEDRO
C#CC[NH+]1CCC(c2nc(-c3cnn(C4CCOCC4)c3N)no2)CC1	ZINC000924254705	994520938	/nfs/dbraw/zinc/52/09/38/994520938.db2.gz	SLTKFCALBZISIZ-UHFFFAOYSA-N	1	0	356.430	1.679	20	30		FDEDRO
Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(OCC#N)cc2)cn1	ZINC000879190167	994615890	/nfs/dbraw/zinc/61/58/90/994615890.db2.gz	KCEUWETVASLGJD-QGZVFWFLSA-N	1	0	353.426	1.717	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CN1C(=O)N[C@H]([C@H](O)c2cccnc2)C1=O)C(C)C	ZINC000924485413	994735989	/nfs/dbraw/zinc/73/59/89/994735989.db2.gz	NDBKOJNCCPZMHT-KZNAEPCWSA-N	1	0	372.469	1.734	20	30		FDEDRO
COc1ccc(N2CC[NH+](C[C@H](O)CN(C)[C@@H]3CCC[C@@H]3C#N)CC2)cc1	ZINC000879309267	994760920	/nfs/dbraw/zinc/76/09/20/994760920.db2.gz	FEPXFSLYRKLOOW-YFVAEKQCSA-N	1	0	372.513	1.802	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+]C(C)(C)[C@@H]2CCCCO2)CC1	ZINC000879407180	994882914	/nfs/dbraw/zinc/88/29/14/994882914.db2.gz	VTUNMNHSTMIFIP-IRXDYDNUSA-N	1	0	350.507	1.616	20	30		FDEDRO
C[N@H+](CCc1cccc(C#N)c1)CC(=O)N1CCN(C(=O)C2CC2)CC1	ZINC000879434507	994911407	/nfs/dbraw/zinc/91/14/07/994911407.db2.gz	KHVHDILDMBDVSZ-UHFFFAOYSA-N	1	0	354.454	1.113	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1	ZINC000879533631	994986384	/nfs/dbraw/zinc/98/63/84/994986384.db2.gz	QVWNNWMGIYQDAK-AEGPPILISA-N	1	0	361.467	1.198	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000879592419	995061811	/nfs/dbraw/zinc/06/18/11/995061811.db2.gz	KNPSSIJIDLWRDD-MRXNPFEDSA-N	1	0	355.486	1.597	20	30		FDEDRO
C#CCC1(NC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CCOCC1	ZINC000888780099	995125684	/nfs/dbraw/zinc/12/56/84/995125684.db2.gz	IDAGHNRDGPOBBA-LJQANCHMSA-N	1	0	371.481	1.625	20	30		FDEDRO
C#CCN(C(=O)NC[C@@H](Cc1ccccc1)C(=O)OC)C1CC[NH+](C)CC1	ZINC000924958987	995184640	/nfs/dbraw/zinc/18/46/40/995184640.db2.gz	ISLDJAYDOIQGIU-GOSISDBHSA-N	1	0	371.481	1.757	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCC2(C)CCN(c3cnc(C#N)cn3)CC2)CC[N@@H+]1C	ZINC001110897949	995253175	/nfs/dbraw/zinc/25/31/75/995253175.db2.gz	GWLFRICWMKSFHW-DLBZAZTESA-N	1	0	370.501	1.801	20	30		FDEDRO
C=CCc1cc(C[NH2+][C@H]2C(=O)NCC23CCOCC3)cc(OC)c1OC	ZINC000925356202	995528332	/nfs/dbraw/zinc/52/83/32/995528332.db2.gz	KUVGCXWDMQDRCM-SFHVURJKSA-N	1	0	360.454	1.817	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1	ZINC000880138443	995674043	/nfs/dbraw/zinc/67/40/43/995674043.db2.gz	WSHPTRNBWFOFSL-HYVNUMGLSA-N	1	0	365.437	1.680	20	30		FDEDRO
N#Cc1ccc(Cc2cnc(NC(=O)N3CCNCC[NH2+]CC3)s2)cc1	ZINC000925920125	995827626	/nfs/dbraw/zinc/82/76/26/995827626.db2.gz	MUKVLPAIHLGHGO-UHFFFAOYSA-N	1	0	370.482	1.632	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)cc21	ZINC000926217404	995979776	/nfs/dbraw/zinc/97/97/76/995979776.db2.gz	SOGJFZJPLSXPRE-KRWDZBQOSA-N	1	0	354.458	1.734	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1	ZINC000926308271	996045116	/nfs/dbraw/zinc/04/51/16/996045116.db2.gz	MJNOMKITOMDYMB-SFHVURJKSA-N	1	0	371.481	1.558	20	30		FDEDRO
Cc1ccc(CNC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1C#N	ZINC000926854415	996342882	/nfs/dbraw/zinc/34/28/82/996342882.db2.gz	BBDSWQJARNXYSZ-IBGZPJMESA-N	1	0	355.486	1.788	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1	ZINC000887037839	996857149	/nfs/dbraw/zinc/85/71/49/996857149.db2.gz	FKVISQISHPWGRA-HXUWFJFHSA-N	1	0	370.453	1.888	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1	ZINC000887038428	996858312	/nfs/dbraw/zinc/85/83/12/996858312.db2.gz	RRDXCDBTXGQRLP-HXUWFJFHSA-N	1	0	373.428	1.768	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1	ZINC000887039549	996859817	/nfs/dbraw/zinc/85/98/17/996859817.db2.gz	MRDNHBXDYNHNQI-IBGZPJMESA-N	1	0	374.416	1.659	20	30		FDEDRO
CNC(=O)C1([NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)CCOCC1	ZINC000887089745	996923119	/nfs/dbraw/zinc/92/31/19/996923119.db2.gz	RDUJHVRFDLQEJW-UHFFFAOYSA-N	1	0	356.344	1.822	20	30		FDEDRO
C[C@H]1CN(c2cc[nH+]cc2)CCN1C[C@H](O)COc1ccccc1C#N	ZINC000887134468	996960662	/nfs/dbraw/zinc/96/06/62/996960662.db2.gz	KFTVFOVWPCQKAH-LPHOPBHVSA-N	1	0	352.438	1.904	20	30		FDEDRO
Cc1ncc(CO)c(/C=N\Cc2ccc(N3CC[NH+](C)CC3)cc2)c1O	ZINC000887270819	997080515	/nfs/dbraw/zinc/08/05/15/997080515.db2.gz	UTVGKXRLXLAHAN-BKUYFWCQSA-N	1	0	354.454	1.959	20	30		FDEDRO
CC[C@@H](C)NC(=[NH2+])NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1	ZINC000264070958	997395936	/nfs/dbraw/zinc/39/59/36/997395936.db2.gz	GDJJCYYIADDNRQ-ZBFHGGJFSA-N	1	0	364.490	1.780	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCCc2cn3ccccc3n2)CC1	ZINC000264081584	997398228	/nfs/dbraw/zinc/39/82/28/997398228.db2.gz	IOPLHYGTCCFZGK-UHFFFAOYSA-N	1	0	372.473	1.744	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1ccccc1Cn1ccnc1	ZINC000264109087	997402828	/nfs/dbraw/zinc/40/28/28/997402828.db2.gz	OFZQFZHDQULFPS-UHFFFAOYSA-N	1	0	356.474	1.058	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NCc1ccc(OCCOc2ccccc2)nc1	ZINC000264114924	997405589	/nfs/dbraw/zinc/40/55/89/997405589.db2.gz	SEJLUGITQPIUPS-OAHLLOKOSA-N	1	0	358.442	1.979	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCCCOC[C@H]2CCCO2)cc1OC	ZINC000264140061	997411411	/nfs/dbraw/zinc/41/14/11/997411411.db2.gz	WCUANNFBQSJENY-MRXNPFEDSA-N	1	0	365.474	1.736	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(CN2C(=O)CNC2=O)cc1	ZINC000264292265	997450887	/nfs/dbraw/zinc/45/08/87/997450887.db2.gz	XEGJECPDZWQVEU-UHFFFAOYSA-N	1	0	371.441	1.046	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC#Cc2ccccc2)CC1=O	ZINC000264357161	997476828	/nfs/dbraw/zinc/47/68/28/997476828.db2.gz	AQXVTWSVMQYHRG-MOPGFXCFSA-N	1	0	353.466	1.487	20	30		FDEDRO
C[NH+](C)CCn1c2cc(C(=O)N3CCO[C@@](C)(C#N)C3)ccc2[nH]c1=O	ZINC000887690889	997655976	/nfs/dbraw/zinc/65/59/76/997655976.db2.gz	VXWNHFKDCHDRBU-SFHVURJKSA-N	1	0	357.414	1.058	20	30		FDEDRO
C[NH+](C)CC[C@H](NC(=O)NCCNC(=O)C1N=CC=CC1=O)C(C)(C)C	ZINC000265233094	997725610	/nfs/dbraw/zinc/72/56/10/997725610.db2.gz	DEHDVWNWWGRVAN-DQHOPXMZSA-N	1	0	365.478	1.178	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N(C)Cc1ccncc1)C(C)C	ZINC000283028210	997788142	/nfs/dbraw/zinc/78/81/42/997788142.db2.gz	BZBGYHDSVSCLKK-GOSISDBHSA-N	1	0	358.486	1.855	20	30		FDEDRO
C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NCCNc1ncccc1C#N	ZINC000887920094	997950738	/nfs/dbraw/zinc/95/07/38/997950738.db2.gz	GHLCUMAKKQVUGC-OAHLLOKOSA-N	1	0	365.441	1.680	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)Nc3ccc(C#N)cn3)cn2)CC1	ZINC000889220679	998228370	/nfs/dbraw/zinc/22/83/70/998228370.db2.gz	GLCIHINOFMIZAB-UHFFFAOYSA-N	1	0	365.441	1.812	20	30		FDEDRO
C#CCCN(CCOC)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000889660604	998509494	/nfs/dbraw/zinc/50/94/94/998509494.db2.gz	CUCGOLXNNDVMMC-UHFFFAOYSA-N	1	0	358.486	1.620	20	30		FDEDRO
CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000889761352	998613700	/nfs/dbraw/zinc/61/37/00/998613700.db2.gz	FPMUNJDVBCYOCI-ROUUACIJSA-N	1	0	357.454	1.773	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(CC#N)n1)c1cccc(F)c1	ZINC000889766222	998622194	/nfs/dbraw/zinc/62/21/94/998622194.db2.gz	QNMBMLGTOKQMDI-MRXNPFEDSA-N	1	0	369.400	1.644	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cc1	ZINC000889771365	998635302	/nfs/dbraw/zinc/63/53/02/998635302.db2.gz	ZRWBSABGWXAJIQ-XUVXKRRUSA-N	1	0	368.481	1.585	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C2CC2)c(C#N)c1	ZINC000889938159	998736006	/nfs/dbraw/zinc/73/60/06/998736006.db2.gz	XBENENSNGLGQHW-QGZVFWFLSA-N	1	0	370.453	1.601	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CC#N)n2)C1	ZINC000889978530	998756159	/nfs/dbraw/zinc/75/61/59/998756159.db2.gz	IJURMTXPOFCZCN-MRXNPFEDSA-N	1	0	373.457	1.045	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000889992549	998761602	/nfs/dbraw/zinc/76/16/02/998761602.db2.gz	SFBDIZFCWIXFGY-LJQANCHMSA-N	1	0	373.497	1.477	20	30		FDEDRO
COc1cccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1OC	ZINC000890143812	998840520	/nfs/dbraw/zinc/84/05/20/998840520.db2.gz	ZESQTLXPXACBET-UHFFFAOYSA-N	1	0	362.430	1.336	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)C1	ZINC000890376296	998920912	/nfs/dbraw/zinc/92/09/12/998920912.db2.gz	CZFWJNFJCCKEAJ-SFHVURJKSA-N	1	0	369.513	1.966	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNc3cccc(F)c3C#N)C2)CC[N@@H+]1C	ZINC001066686484	999015779	/nfs/dbraw/zinc/01/57/79/999015779.db2.gz	RWOPOADWVSRWCP-RBSFLKMASA-N	1	0	360.433	1.677	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNc3ncc(C#N)cc3F)C2)CC[N@@H+]1C	ZINC001066686690	999017277	/nfs/dbraw/zinc/01/72/77/999017277.db2.gz	XWUXBMKAQZQQGK-VHDGCEQUSA-N	1	0	361.421	1.072	20	30		FDEDRO
N#Cc1c(F)cccc1NC[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CCO1	ZINC001066687683	999022527	/nfs/dbraw/zinc/02/25/27/999022527.db2.gz	PBKFAIHAOIBNEC-BFHYXJOUSA-N	1	0	369.400	1.863	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)CCNC(=O)C1N=CC=CC1=O)C(C)C	ZINC000266786921	999233344	/nfs/dbraw/zinc/23/33/44/999233344.db2.gz	ABZYDUSIKXTJHB-DVSFIDLUSA-N	1	0	374.485	1.718	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)N1CCC[C@@H]1C[NH+]1CCCCC1	ZINC000266832617	999242866	/nfs/dbraw/zinc/24/28/66/999242866.db2.gz	MEZIBUGAZAZJBI-RAJOGRCSSA-N	1	0	360.458	1.380	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1CCN(c2ccccc2OCC[NH+](C)C)CC1	ZINC000266937995	999270450	/nfs/dbraw/zinc/27/04/50/999270450.db2.gz	QLBMDTAOPGHHJU-KRWDZBQOSA-N	1	0	360.502	1.440	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCc3cn4c(n3)CCCC4)=[NH+]C[C@H]2C1	ZINC000268071630	999423649	/nfs/dbraw/zinc/42/36/49/999423649.db2.gz	KLAATZGVGVKHQE-HNNXBMFYSA-N	1	0	374.489	1.600	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1	ZINC000270040435	999503890	/nfs/dbraw/zinc/50/38/90/999503890.db2.gz	AJPUEQQRYVFSNL-AWEZNQCLSA-N	1	0	354.410	1.688	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCc2n[nH]cc2C1	ZINC000270292318	999535664	/nfs/dbraw/zinc/53/56/64/999535664.db2.gz	ZSXAIBWVVLLVRM-KRWDZBQOSA-N	1	0	351.454	1.977	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@](C)(O)c2ccc(F)cc2)CC1	ZINC000270462498	999562115	/nfs/dbraw/zinc/56/21/15/999562115.db2.gz	XGBQLWSIXPKIHO-GOSISDBHSA-N	1	0	366.437	1.558	20	30		FDEDRO
C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)C(=O)N(C)CCC#N	ZINC000270570683	999579054	/nfs/dbraw/zinc/57/90/54/999579054.db2.gz	BFEZIPPONKGJGY-XNJJOIOASA-N	1	0	364.396	1.587	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH+]2CCC(C(=O)NCCCO)CC2)cc1	ZINC000271028956	999650723	/nfs/dbraw/zinc/65/07/23/999650723.db2.gz	BMHJIZSYUHKBFP-UHFFFAOYSA-N	1	0	358.486	1.747	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)nn1CCC#N	ZINC000271204781	999674454	/nfs/dbraw/zinc/67/44/54/999674454.db2.gz	ZZRQRXUCJPKDPI-MRXNPFEDSA-N	1	0	372.473	1.234	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2c(CC)nn(C)c2OC)CC1	ZINC000271281398	999684714	/nfs/dbraw/zinc/68/47/14/999684714.db2.gz	BTIFCPMLPSPNGN-UHFFFAOYSA-N	1	0	366.466	1.016	20	30		FDEDRO
Cc1cc(C)n(CC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(=O)n1	ZINC000274250959	999737261	/nfs/dbraw/zinc/73/72/61/999737261.db2.gz	YMOQEAIJVRBJEK-UHFFFAOYSA-N	1	0	367.453	1.322	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(F)c1	ZINC000283173026	999742614	/nfs/dbraw/zinc/74/26/14/999742614.db2.gz	FYHYQXAVQHAQSW-CZUORRHYSA-N	1	0	361.392	1.827	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)NCC2([NH+](C)C)CCOCC2)c(F)c1	ZINC000283191623	999744505	/nfs/dbraw/zinc/74/45/05/999744505.db2.gz	HBYSLOYLPGLOJX-UHFFFAOYSA-N	1	0	365.380	1.112	20	30		FDEDRO
N#Cc1ccnc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)c1	ZINC000283588872	999757817	/nfs/dbraw/zinc/75/78/17/999757817.db2.gz	XOUYCWSYOPJJTL-IEBWSBKVSA-N	1	0	350.422	1.566	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)NCc1cnn(C)c1C)C(C)C	ZINC000283876013	999763077	/nfs/dbraw/zinc/76/30/77/999763077.db2.gz	DSAWNTUWZJMUDD-KRWDZBQOSA-N	1	0	361.490	1.160	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)NCc1cccc(C#N)c1)c1ccc(F)cc1	ZINC000284126118	999777581	/nfs/dbraw/zinc/77/75/81/999777581.db2.gz	VPQRZCGKIJYBCM-GOSISDBHSA-N	1	0	368.412	1.733	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N(C)Cc1ccccn1)C(C)C	ZINC000284174832	999778492	/nfs/dbraw/zinc/77/84/92/999778492.db2.gz	UQEKOLOQZQINTE-GOSISDBHSA-N	1	0	358.486	1.855	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000284581571	999852661	/nfs/dbraw/zinc/85/26/61/999852661.db2.gz	VKKBHKGZRPCXAK-IYBDPMFKSA-N	1	0	359.470	1.556	20	30		FDEDRO
C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000284736865	999869089	/nfs/dbraw/zinc/86/90/89/999869089.db2.gz	IPOVJVMXGJVSSZ-HDAAZOAOSA-N	1	0	369.465	1.915	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1	ZINC000285705490	999919308	/nfs/dbraw/zinc/91/93/08/999919308.db2.gz	GTRIXIZBMVZQJR-IBGZPJMESA-N	1	0	355.482	1.868	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](C(=O)NC[C@@H](O)C[NH+]3CCCCC3)C2)c(F)c1	ZINC000286031957	999932612	/nfs/dbraw/zinc/93/26/12/999932612.db2.gz	BAWPZDAUZACMQT-IAGOWNOFSA-N	1	0	374.460	1.487	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(Cc2ccccc2)CC(C)(C)O)CC1	ZINC000286614300	999945498	/nfs/dbraw/zinc/94/54/98/999945498.db2.gz	LNYDRLOXYMYDGW-UHFFFAOYSA-N	1	0	373.497	1.553	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCCCC#N	ZINC000286808075	999951059	/nfs/dbraw/zinc/95/10/59/999951059.db2.gz	VSKMNUSSTSVFFA-UHFFFAOYSA-N	1	0	355.442	1.259	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C	ZINC000286818142	999951136	/nfs/dbraw/zinc/95/11/36/999951136.db2.gz	AQGHZPKWARNRFG-YOEHRIQHSA-N	1	0	357.454	1.467	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(C(=O)c2cccc(CC#N)c2)CC1	ZINC000286824257	999951226	/nfs/dbraw/zinc/95/12/26/999951226.db2.gz	YOYJSQKYMYQYSD-UHFFFAOYSA-N	1	0	359.470	1.952	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)CC1	ZINC000286855290	999952912	/nfs/dbraw/zinc/95/29/12/999952912.db2.gz	ZCCJEMVEOBYVSB-OAHLLOKOSA-N	1	0	359.474	1.272	20	30		FDEDRO
C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NCC[N@@H+](C)CCCOC	ZINC000287673637	999959153	/nfs/dbraw/zinc/95/91/53/999959153.db2.gz	AAMRBJXCNXESOU-UHFFFAOYSA-N	1	0	361.486	1.676	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	ZINC000288166113	999992907	/nfs/dbraw/zinc/99/29/07/999992907.db2.gz	QIMUPKSOKQARTI-AYHJJNSGSA-N	1	0	354.454	1.648	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)nn1CCC#N	ZINC000288225280	999998529	/nfs/dbraw/zinc/99/85/29/999998529.db2.gz	UUNFMQQTUYVRHE-UKRRQHHQSA-N	1	0	358.446	1.129	20	30		FDEDRO
C=CCC[C@@H](NC(=O)C(=O)NCC[N@@H+](C)CCCOC)c1ccccc1	ZINC000288274942	1000003439	/nfs/dbraw/zinc/00/34/39/1000003439.db2.gz	UXOBGVKZYJECFI-GOSISDBHSA-N	1	0	361.486	1.895	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CCOCC1	ZINC000288504248	1000022207	/nfs/dbraw/zinc/02/22/07/1000022207.db2.gz	QLTRPZUWUCXWFS-INIZCTEOSA-N	1	0	374.460	1.751	20	30		FDEDRO
N#Cc1ccnc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1	ZINC000288506419	1000022440	/nfs/dbraw/zinc/02/24/40/1000022440.db2.gz	KRDFIWMXDWXXIJ-ZWKOTPCHSA-N	1	0	350.422	1.566	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1	ZINC000288685270	1000037485	/nfs/dbraw/zinc/03/74/85/1000037485.db2.gz	CECDEEQERSRWJD-INIZCTEOSA-N	1	0	356.470	1.924	20	30		FDEDRO
C[NH+](C)CCCOc1cnccc1CNC(=O)Nc1ccn(CCC#N)n1	ZINC000288712733	1000039907	/nfs/dbraw/zinc/03/99/07/1000039907.db2.gz	FTZYIQRCGGUQFS-UHFFFAOYSA-N	1	0	371.445	1.844	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)cc1	ZINC000289379056	1000094974	/nfs/dbraw/zinc/09/49/74/1000094974.db2.gz	CENPBYHQPKTNDX-UHFFFAOYSA-N	1	0	355.442	1.553	20	30		FDEDRO
C=CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000289691950	1000113463	/nfs/dbraw/zinc/11/34/63/1000113463.db2.gz	NUPSEKSCSIYPNZ-MRXNPFEDSA-N	1	0	374.533	1.796	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCc2ncccc2N(C)C)cc1OC	ZINC000290755230	1000157081	/nfs/dbraw/zinc/15/70/81/1000157081.db2.gz	YRRLJYPUNFRIEG-UHFFFAOYSA-N	1	0	357.458	1.812	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(CC(=O)N3CCO[C@@H]4CCCC[C@@H]43)C2)nc1	ZINC000292328470	1000232296	/nfs/dbraw/zinc/23/22/96/1000232296.db2.gz	WFEBITBOXLBMCY-FGTMMUONSA-N	1	0	370.453	1.576	20	30		FDEDRO
COc1ccncc1CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000292359847	1000233493	/nfs/dbraw/zinc/23/34/93/1000233493.db2.gz	QYZIYJOPXWIJOR-CQSZACIVSA-N	1	0	361.446	1.471	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)NCCC[C@H]3CCC[NH2+]3)cc21	ZINC000927798462	1001057248	/nfs/dbraw/zinc/05/72/48/1001057248.db2.gz	DSPOHPZDYYGBQS-OAHLLOKOSA-N	1	0	355.442	1.809	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)NCCC[C@@H]3CCC[NH2+]3)cc21	ZINC000927798461	1001057344	/nfs/dbraw/zinc/05/73/44/1001057344.db2.gz	DSPOHPZDYYGBQS-HNNXBMFYSA-N	1	0	355.442	1.809	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CCC[C@]4(CC[NH2+]C4)C3)cc21	ZINC000927800319	1001059263	/nfs/dbraw/zinc/05/92/63/1001059263.db2.gz	HKXFJJUBWJHYQA-HXUWFJFHSA-N	1	0	367.453	1.763	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)NCCC3CC[NH2+]CC3)cc21	ZINC000927803677	1001064245	/nfs/dbraw/zinc/06/42/45/1001064245.db2.gz	UOBZOJSLTLALFN-UHFFFAOYSA-N	1	0	355.442	1.667	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1	ZINC000927847306	1001111755	/nfs/dbraw/zinc/11/17/55/1001111755.db2.gz	VGCDKOFAELRGPF-RYUDHWBXSA-N	1	0	369.343	1.375	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c(Cl)c1	ZINC000927849251	1001115604	/nfs/dbraw/zinc/11/56/04/1001115604.db2.gz	PIQLMYWQFMWXHK-MWLCHTKSSA-N	1	0	374.750	1.888	20	30		FDEDRO
C[NH2+]CCN(C(=O)C(=O)Nc1ccc(Br)c(C#N)c1)C(C)C	ZINC000927865617	1001146556	/nfs/dbraw/zinc/14/65/56/1001146556.db2.gz	VPESNIXRQZKXJJ-UHFFFAOYSA-N	1	0	367.247	1.716	20	30		FDEDRO
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCNCC[NH2+]CC1	ZINC000927880724	1001175619	/nfs/dbraw/zinc/17/56/19/1001175619.db2.gz	ZKLHZCFXPUUZQI-UHFFFAOYSA-N	1	0	358.486	1.498	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]CC3)CC2)nc1	ZINC000927896040	1001200826	/nfs/dbraw/zinc/20/08/26/1001200826.db2.gz	XBLMGYRYATVTNT-HNNXBMFYSA-N	1	0	355.442	1.520	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)cc1	ZINC000927926589	1001221035	/nfs/dbraw/zinc/22/10/35/1001221035.db2.gz	JOLBLNZOBRJXAQ-HXUWFJFHSA-N	1	0	370.453	1.286	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC1CCC1)NC(C)=O)C2	ZINC001110943690	1001455294	/nfs/dbraw/zinc/45/52/94/1001455294.db2.gz	AXWLWENQILKWCD-MKXGPGLRSA-N	1	0	361.486	1.053	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)/C=C/C(=O)NCc2ccc(OC)cc2)CC1	ZINC000928648670	1001606391	/nfs/dbraw/zinc/60/63/91/1001606391.db2.gz	PRBVIEGDLCJHSQ-CMDGGOBGSA-N	1	0	355.438	1.081	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1	ZINC000928649744	1001607914	/nfs/dbraw/zinc/60/79/14/1001607914.db2.gz	QRIIQCFHXOIDOW-INIZCTEOSA-N	1	0	362.474	1.787	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cc(Br)c(=O)[nH]c2C)CC1	ZINC000928653289	1001610420	/nfs/dbraw/zinc/61/04/20/1001610420.db2.gz	HDIAPZMWLQNASR-UHFFFAOYSA-N	1	0	352.232	1.686	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@](C)(O)CSc2cccc(F)c2)CC1	ZINC000928653261	1001610642	/nfs/dbraw/zinc/61/06/42/1001610642.db2.gz	GFDIEQVGBXWZSC-GOSISDBHSA-N	1	0	350.459	1.883	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)CC1	ZINC000928656541	1001611873	/nfs/dbraw/zinc/61/18/73/1001611873.db2.gz	YZSKLGSUGVQWJR-UHFFFAOYSA-N	1	0	362.499	1.884	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)CC1	ZINC000928656647	1001612576	/nfs/dbraw/zinc/61/25/76/1001612576.db2.gz	BARQSAHPPIECDO-CYBMUJFWSA-N	1	0	361.392	1.532	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1	ZINC000965936386	1016558237	/nfs/dbraw/zinc/55/82/37/1016558237.db2.gz	XYWPZTMZRORTRA-OWSLCNJRSA-N	1	0	363.502	1.559	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)NCC(C)(C)C[NH+](C)C)c1	ZINC000929460193	1002079764	/nfs/dbraw/zinc/07/97/64/1002079764.db2.gz	XSDIGWFYVBLKFA-UHFFFAOYSA-N	1	0	350.484	1.801	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3cncc(C)c3)C[C@H]2C)CC1	ZINC000948110770	1002106327	/nfs/dbraw/zinc/10/63/27/1002106327.db2.gz	YFIDNFAWFYZAEX-VQIMIIECSA-N	1	0	368.481	1.312	20	30		FDEDRO
COc1ccncc1CC(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC000948205171	1002175431	/nfs/dbraw/zinc/17/54/31/1002175431.db2.gz	ISYMYKMGUBVDJI-MLGOLLRUSA-N	1	0	367.409	1.109	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1	ZINC000965950439	1016592528	/nfs/dbraw/zinc/59/25/28/1016592528.db2.gz	XLJSEUVMHYGKAX-VQHPVUNQSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1	ZINC000948413993	1002315452	/nfs/dbraw/zinc/31/54/52/1002315452.db2.gz	SVAMEQCTTQXPCE-JQHSSLGASA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)CC1	ZINC000929693022	1002350177	/nfs/dbraw/zinc/35/01/77/1002350177.db2.gz	MYXDAWDGGUWWNV-HOTGVXAUSA-N	1	0	371.485	1.914	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC000948458246	1002362409	/nfs/dbraw/zinc/36/24/09/1002362409.db2.gz	GINJLXNUVLFIGA-ZTFGCOKTSA-N	1	0	371.485	1.726	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC000948579752	1002466831	/nfs/dbraw/zinc/46/68/31/1002466831.db2.gz	IFWOOFVNAULGDC-OLMNPRSZSA-N	1	0	371.485	1.726	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCCCOc1ccc(C)cc1)C1CC[NH+](C)CC1	ZINC000929814952	1002485508	/nfs/dbraw/zinc/48/55/08/1002485508.db2.gz	PZUQWNXFOYSFQJ-UHFFFAOYSA-N	1	0	371.481	1.436	20	30		FDEDRO
CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000948778785	1002669153	/nfs/dbraw/zinc/66/91/53/1002669153.db2.gz	DGYVVEVFKIVKHK-KSZLIROESA-N	1	0	354.454	1.493	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]([C@H]3CCOC3)C2)CC1	ZINC000930006979	1002730128	/nfs/dbraw/zinc/73/01/28/1002730128.db2.gz	KEJZXOFGEBBPMN-SJORKVTESA-N	1	0	363.502	1.418	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC2CC3(C2)COC(C)(C)C3)CC1	ZINC000930010832	1002734374	/nfs/dbraw/zinc/73/43/74/1002734374.db2.gz	UWOKWZIVLQRRIW-UHFFFAOYSA-N	1	0	363.502	1.607	20	30		FDEDRO
C#CCC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3c3ccncc3)CC2)C1	ZINC000949370185	1003267770	/nfs/dbraw/zinc/26/77/70/1003267770.db2.gz	MXVRKJKTKKKFSQ-RBUKOAKNSA-N	1	0	353.466	1.902	20	30		FDEDRO
C#Cc1ccc(NC(=O)CCN2CC[NH+](C(COC)COC)CC2)cc1	ZINC000930708560	1003420524	/nfs/dbraw/zinc/42/05/24/1003420524.db2.gz	PUTBUNQIBPHHNE-UHFFFAOYSA-N	1	0	359.470	1.276	20	30		FDEDRO
C#CCN(C(=O)C(=O)NC1CCC(OC(F)F)CC1)C1CC[NH+](C)CC1	ZINC000930791881	1003507605	/nfs/dbraw/zinc/50/76/05/1003507605.db2.gz	VZUXVLSXQMQHPE-UHFFFAOYSA-N	1	0	371.428	1.209	20	30		FDEDRO
C=CC[N@H+](C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)[C@H](C)COC	ZINC000930931807	1003673995	/nfs/dbraw/zinc/67/39/95/1003673995.db2.gz	BRLFYHLYIGAFBM-CABCVRRESA-N	1	0	362.536	1.511	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCC[C@]1(C)C[C@@]1(F)Cl)C1CC[NH+](C)CC1	ZINC000930938596	1003681694	/nfs/dbraw/zinc/68/16/94/1003681694.db2.gz	PQDCRYCANUDMBF-SJORKVTESA-N	1	0	357.857	1.363	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C[C@H](C)CS(C)(=O)=O)C1	ZINC001111002130	1003758561	/nfs/dbraw/zinc/75/85/61/1003758561.db2.gz	WFAKQEBGYMSWJX-JJXSEGSLSA-N	1	0	354.516	1.745	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOC[C@@H]2CCCO2)c1	ZINC001111001456	1003774691	/nfs/dbraw/zinc/77/46/91/1003774691.db2.gz	DKVHWAMHPNLDFD-WCIQWLHISA-N	1	0	369.465	1.594	20	30		FDEDRO
C#CCN(C(=O)C(=O)NC[C@@H](OC)C1CCCCC1)C1CC[NH+](C)CC1	ZINC000931030109	1003791867	/nfs/dbraw/zinc/79/18/67/1003791867.db2.gz	UVVKAMDEWXAZDH-GOSISDBHSA-N	1	0	363.502	1.254	20	30		FDEDRO
C#CC1(O)CC[NH+](C[C@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000931151783	1003926070	/nfs/dbraw/zinc/92/60/70/1003926070.db2.gz	UDKKZKKHGZOFDX-IBGZPJMESA-N	1	0	352.475	1.599	20	30		FDEDRO
C[NH+]1CCC2(CCCN2C(=O)C(=O)NCc2cc(C#N)ccc2F)CC1	ZINC000931595566	1004299407	/nfs/dbraw/zinc/29/94/07/1004299407.db2.gz	IQDNDGREVCZRRJ-UHFFFAOYSA-N	1	0	358.417	1.400	20	30		FDEDRO
COc1ccccc1C[C@](C)(CO)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1	ZINC000931608495	1004312507	/nfs/dbraw/zinc/31/25/07/1004312507.db2.gz	ZGFOSFSAUYJXGF-WIYYLYMNSA-N	1	0	370.449	1.890	20	30		FDEDRO
O=C(CN1CC[C@@]2(CC(F)(F)C2(F)F)C1)NC(=O)NCC(F)(F)F	ZINC000931918894	1004606328	/nfs/dbraw/zinc/60/63/28/1004606328.db2.gz	ILLCEXPFTPFHNF-SECBINFHSA-N	1	0	365.249	1.741	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Nc1ccn(C(C)(C)C(=O)OC(C)(C)C)n1	ZINC000931971982	1004660905	/nfs/dbraw/zinc/66/09/05/1004660905.db2.gz	ULINDTCHDDJDIT-UHFFFAOYSA-N	1	0	363.462	1.646	20	30		FDEDRO
N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CC[C@@H](C2OCCO2)C1	ZINC000932002003	1004691185	/nfs/dbraw/zinc/69/11/85/1004691185.db2.gz	IBHZLJDXIONZMN-HIFRSBDPSA-N	1	0	364.405	1.918	20	30		FDEDRO
COC(=O)[C@H](C)Oc1ccc(NC(=O)NCC#CC[NH+](C)C)cc1F	ZINC000932011034	1004703520	/nfs/dbraw/zinc/70/35/20/1004703520.db2.gz	DJDYOTMZBVANKY-LBPRGKRZSA-N	1	0	351.378	1.453	20	30		FDEDRO
C[C@@]1(C2CC[NH+](C[C@H](O)COc3ccccc3C#N)CC2)COC(=O)N1	ZINC000932099992	1004769689	/nfs/dbraw/zinc/76/96/89/1004769689.db2.gz	NEQRBYVUERHHJY-LPHOPBHVSA-N	1	0	359.426	1.508	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2cccc([C@@]3(C)COC(=O)N3)c2)CC1	ZINC000932422993	1004951444	/nfs/dbraw/zinc/95/14/44/1004951444.db2.gz	OIWNZDRQIPAWPR-LJQANCHMSA-N	1	0	356.426	1.861	20	30		FDEDRO
COc1ncc(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1C#N	ZINC000932512013	1004995093	/nfs/dbraw/zinc/99/50/93/1004995093.db2.gz	OBBGPLPNZPUMNM-ZDUSSCGKSA-N	1	0	359.430	1.584	20	30		FDEDRO
COc1ncc(NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)cc1C#N	ZINC000932515443	1004996863	/nfs/dbraw/zinc/99/68/63/1004996863.db2.gz	CEYPHXMQIGWHOJ-CYBMUJFWSA-N	1	0	359.430	1.679	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1cnc(OC)c(C#N)c1	ZINC000932519929	1004998353	/nfs/dbraw/zinc/99/83/53/1004998353.db2.gz	SENZQBDOCXIODO-UHFFFAOYSA-N	1	0	361.446	1.784	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1	ZINC000947089484	1005204214	/nfs/dbraw/zinc/20/42/14/1005204214.db2.gz	JBURGLHDNMJOTL-BZSNNMDCSA-N	1	0	365.518	1.661	20	30		FDEDRO
C[C@@H]1CN(C(=O)N[C@@H](CC#N)C(F)(F)F)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000932909447	1005239609	/nfs/dbraw/zinc/23/96/09/1005239609.db2.gz	FHWKRDAAYRQTMG-MCIONIFRSA-N	1	0	361.412	1.498	20	30		FDEDRO
Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCO[C@@](C)(C#N)C2)CC1	ZINC000933597112	1005586714	/nfs/dbraw/zinc/58/67/14/1005586714.db2.gz	KGYPHFQRTGRDHP-NRFANRHFSA-N	1	0	370.497	1.690	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1CC1)C2	ZINC001111109994	1006112622	/nfs/dbraw/zinc/11/26/22/1006112622.db2.gz	ZLSWBGWRCRGKMF-BDXSIMOUSA-N	1	0	361.486	1.312	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)CC[N@@H+]1C	ZINC000967010020	1017054682	/nfs/dbraw/zinc/05/46/82/1017054682.db2.gz	YNRXZSNKGWOVFI-FRFSOERESA-N	1	0	371.485	1.583	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)C1CCOCC1)C2	ZINC001111164409	1006554147	/nfs/dbraw/zinc/55/41/47/1006554147.db2.gz	XXJOHINIGGDYBN-HPBDAGMYSA-N	1	0	363.502	1.605	20	30		FDEDRO
CC(C)C#CC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@H]1CCS(=O)(=O)C1)C2	ZINC001111736355	1006556488	/nfs/dbraw/zinc/55/64/88/1006556488.db2.gz	FARFDBVGVQHDDW-RYRKJORJSA-N	1	0	352.500	1.051	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)NC(=O)C1(C)C)C2	ZINC001111226473	1006962369	/nfs/dbraw/zinc/96/23/69/1006962369.db2.gz	GRKOYVISIRVWOR-TUVASFSCSA-N	1	0	362.474	1.393	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)c1	ZINC000158210386	1006964819	/nfs/dbraw/zinc/96/48/19/1006964819.db2.gz	CPQKNFWZYNFSKC-UHFFFAOYSA-N	1	0	357.454	1.874	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC(N(C)C(=O)C[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000954976153	1007159706	/nfs/dbraw/zinc/15/97/06/1007159706.db2.gz	BAKZLGSNFJWQQH-HKUYNNGSSA-N	1	0	357.498	1.437	20	30		FDEDRO
COCCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C#N)s1	ZINC001111253520	1007205580	/nfs/dbraw/zinc/20/55/80/1007205580.db2.gz	PGHDGGAXZITZGZ-XYPHTWIQSA-N	1	0	363.483	1.894	20	30		FDEDRO
C#Cc1cncc(C(=O)N(C)C2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)c1	ZINC000955263862	1007300790	/nfs/dbraw/zinc/30/07/90/1007300790.db2.gz	LGQSUJRMWZGHIS-ZWKOTPCHSA-N	1	0	354.454	1.076	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC000956978069	1007435603	/nfs/dbraw/zinc/43/56/03/1007435603.db2.gz	KIZIRVPEUWXFQR-XWIAVFTESA-N	1	0	369.469	1.337	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CCN(C(=O)[C@@H]3C[C@H]3CCC)C2)CC1	ZINC000957069826	1007646357	/nfs/dbraw/zinc/64/63/57/1007646357.db2.gz	HUZFIYQRQTZERG-OPYAIIAOSA-N	1	0	359.514	1.875	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1CNC(=O)C1CC[NH+](C)CC1	ZINC000956036112	1007795663	/nfs/dbraw/zinc/79/56/63/1007795663.db2.gz	ODDFLEMRZBFAGR-BZSNNMDCSA-N	1	0	363.502	1.417	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1	ZINC000949937474	1008541516	/nfs/dbraw/zinc/54/15/16/1008541516.db2.gz	ZUESIVDCSJMDRZ-IIDMSEBBSA-N	1	0	371.485	1.441	20	30		FDEDRO
C=CCn1cc(C(=O)Nc2ccc(CN3CC[NH+](CC)CC3)cc2)nn1	ZINC000648733295	1008571485	/nfs/dbraw/zinc/57/14/85/1008571485.db2.gz	MFBBUTVLSNBUHF-UHFFFAOYSA-N	1	0	354.458	1.854	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)C[N@@H+](C)C1CCC1	ZINC000950193254	1008819178	/nfs/dbraw/zinc/81/91/78/1008819178.db2.gz	UDTDARUUJKWZTF-LNLFQRSKSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC000950244263	1008944676	/nfs/dbraw/zinc/94/46/76/1008944676.db2.gz	XTCAFUOPKHUKRE-BRWVUGGUSA-N	1	0	371.481	1.922	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000950322675	1009001293	/nfs/dbraw/zinc/00/12/93/1009001293.db2.gz	OBFMWQIGQDGHTO-YQQAZPJKSA-N	1	0	357.458	1.337	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1	ZINC000950432607	1009167501	/nfs/dbraw/zinc/16/75/01/1009167501.db2.gz	VPRJCFDHEVAFOZ-RCCFBDPRSA-N	1	0	359.514	1.731	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@H]21	ZINC000959949349	1009186433	/nfs/dbraw/zinc/18/64/33/1009186433.db2.gz	XOYQZBCOTZKMAS-GJGATLCTSA-N	1	0	361.486	1.027	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2	ZINC000646954038	1009332187	/nfs/dbraw/zinc/33/21/87/1009332187.db2.gz	PAWNFVQTSQRHRS-NVXWUHKLSA-N	1	0	371.481	1.876	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CCCCCC2)C1	ZINC000950648612	1009468801	/nfs/dbraw/zinc/46/88/01/1009468801.db2.gz	UKSXFDNPVLARRT-QRQLOZEOSA-N	1	0	357.498	1.938	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1	ZINC001114860009	1009566261	/nfs/dbraw/zinc/56/62/61/1009566261.db2.gz	WWQRFAYRLMZNHG-MJCUULBUSA-N	1	0	367.493	1.028	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NCCNC(=[NH+]Cc2ccccc2)N(C)C)cc1	ZINC000303777086	1009576056	/nfs/dbraw/zinc/57/60/56/1009576056.db2.gz	IOYQZEDSQUGKBC-UHFFFAOYSA-N	1	0	374.510	1.981	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCCc2nnc3ccccn32)cc1OC	ZINC000303786880	1009583015	/nfs/dbraw/zinc/58/30/15/1009583015.db2.gz	RUIRRVSFEHMWKY-UHFFFAOYSA-N	1	0	354.414	1.394	20	30		FDEDRO
CN(C)C(=O)COc1cccc(CNC(=[NH2+])NCCc2ccccc2)c1	ZINC000303868967	1009644340	/nfs/dbraw/zinc/64/43/40/1009644340.db2.gz	ARWOZQHOVYCKBG-UHFFFAOYSA-N	1	0	354.454	1.801	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1cccnc1OC1CCCC1	ZINC000303868183	1009644775	/nfs/dbraw/zinc/64/47/75/1009644775.db2.gz	AJCPGXCRHLTXAG-UHFFFAOYSA-N	1	0	361.490	1.530	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCO)CCOCC1	ZINC001111330888	1009673132	/nfs/dbraw/zinc/67/31/32/1009673132.db2.gz	YWDFGRLUMRSYIK-ZACQAIPSSA-N	1	0	352.475	1.090	20	30		FDEDRO
C[NH+]=C(NCCc1ccc(OC(F)(F)F)cc1)NCCN1CCOCC1	ZINC000303898548	1009682011	/nfs/dbraw/zinc/68/20/11/1009682011.db2.gz	RBETWDMLJXTPCK-UHFFFAOYSA-N	1	0	374.407	1.625	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1	ZINC000950802933	1009864054	/nfs/dbraw/zinc/86/40/54/1009864054.db2.gz	VYOPIJZRYLFNKZ-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CN(C(C)=O)CCO1)C2	ZINC001111337113	1009999003	/nfs/dbraw/zinc/99/90/03/1009999003.db2.gz	MKMVEMICNZMYHP-YRXWBPOGSA-N	1	0	363.502	1.702	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]2C)cc1	ZINC000950978992	1010199675	/nfs/dbraw/zinc/19/96/75/1010199675.db2.gz	WMGHAJMMJMCMFW-ATZDWAIDSA-N	1	0	353.466	1.729	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]2C)cc1	ZINC000959656894	1010386984	/nfs/dbraw/zinc/38/69/84/1010386984.db2.gz	VBNONDZOCIBSER-FRQCXROJSA-N	1	0	353.466	1.586	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@@](C)(O)c2ccccc2)CC1	ZINC000304791151	1010490680	/nfs/dbraw/zinc/49/06/80/1010490680.db2.gz	KOENUBXHESLTSC-LJQANCHMSA-N	1	0	362.474	1.762	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cccc(C#N)c1	ZINC000960686692	1010604348	/nfs/dbraw/zinc/60/43/48/1010604348.db2.gz	YLKHJKUEWDNFEH-SNRMKQJTSA-N	1	0	357.454	1.785	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000951348164	1010760996	/nfs/dbraw/zinc/76/09/96/1010760996.db2.gz	REMBGCFZHZERPJ-JQHSSLGASA-N	1	0	368.437	1.646	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cn1	ZINC000951494193	1010883117	/nfs/dbraw/zinc/88/31/17/1010883117.db2.gz	JKRQNHDDKCRZGB-CEXWTWQISA-N	1	0	368.481	1.514	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccc2c[nH+]cn2c1C	ZINC000952177136	1011386619	/nfs/dbraw/zinc/38/66/19/1011386619.db2.gz	WPPYLJPAKAMIPL-NXHRZFHOSA-N	1	0	368.437	1.565	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C)c(C)n2)C[C@H]1C	ZINC000952402970	1011695319	/nfs/dbraw/zinc/69/53/19/1011695319.db2.gz	UFTXHKMYBNYCTI-LZQZEXGQSA-N	1	0	368.481	1.373	20	30		FDEDRO
C#CCNC(=O)c1ccc(N2CCC(CCC[NH+]3CCOCC3)CC2)nc1	ZINC000779913331	1012206394	/nfs/dbraw/zinc/20/63/94/1012206394.db2.gz	NEYUFVSZBYVXFN-UHFFFAOYSA-N	1	0	370.497	1.773	20	30		FDEDRO
C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)CC2)C1	ZINC000961370921	1012300606	/nfs/dbraw/zinc/30/06/06/1012300606.db2.gz	FXURRTHCCNNPSR-BHIYHBOVSA-N	1	0	359.514	1.875	20	30		FDEDRO
CN(C)C(=O)[C@H]1CC[C@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)O1	ZINC000305778213	1012501091	/nfs/dbraw/zinc/50/10/91/1012501091.db2.gz	QLBZCXGWNNAMON-ZWNOBZJWSA-N	1	0	374.363	1.948	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C2CC3(CC(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)cc1	ZINC000963787486	1012694731	/nfs/dbraw/zinc/69/47/31/1012694731.db2.gz	JANHLWPYAVEREK-UOAXPGHYSA-N	1	0	354.410	1.740	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]2C1	ZINC000961655542	1012706575	/nfs/dbraw/zinc/70/65/75/1012706575.db2.gz	SGXQQHWGHYYOCH-RZFLPCETSA-N	1	0	363.502	1.225	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCn3c(CC4CC4)nnc3C2)CC1	ZINC000650852016	1012843068	/nfs/dbraw/zinc/84/30/68/1012843068.db2.gz	MWNKSDDYSKLKLO-UHFFFAOYSA-N	1	0	358.490	1.796	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CCN(C(=O)Cc2cnc[nH]2)CC1	ZINC000953973988	1012992370	/nfs/dbraw/zinc/99/23/70/1012992370.db2.gz	JXIIXVBEPPXPNY-WMZOPIPTSA-N	1	0	360.458	1.383	20	30		FDEDRO
C#CCCOc1ccc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)cc1	ZINC000796509563	1017245574	/nfs/dbraw/zinc/24/55/74/1017245574.db2.gz	IHNIHPVBOWMGMY-QGZVFWFLSA-N	1	0	350.484	1.992	20	30		FDEDRO
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000506621551	538901502	/nfs/dbraw/zinc/90/15/02/538901502.db2.gz	SMHCSIOHZCBNSP-BEFAXECRSA-N	1	0	365.474	1.429	20	30		FDEDRO
CCOC(=O)C1CCC(O)(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)CC1	ZINC000190829914	178026232	/nfs/dbraw/zinc/02/62/32/178026232.db2.gz	TWQVQJRGTQEKAZ-UHFFFAOYSA-N	1	0	372.469	1.560	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]CCC2CCS(=O)(=O)CC2)cc1	ZINC000516922922	539329982	/nfs/dbraw/zinc/32/99/82/539329982.db2.gz	VPFFMFLAKJPSBR-INIZCTEOSA-N	1	0	352.456	1.102	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2	ZINC000518091608	539396306	/nfs/dbraw/zinc/39/63/06/539396306.db2.gz	UFYMOXMIDBSBDE-KGLIPLIRSA-N	1	0	361.398	1.429	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(NC(=O)CCc2ccc(C#N)cc2)CC1	ZINC000518814849	539449651	/nfs/dbraw/zinc/44/96/51/539449651.db2.gz	WYYURCKKZYPZEM-UHFFFAOYSA-N	1	0	356.470	1.550	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)NCC3CC[NH2+]CC3)CC2)cc1	ZINC000520206560	539506232	/nfs/dbraw/zinc/50/62/32/539506232.db2.gz	SUORUWQGMMULSC-UHFFFAOYSA-N	1	0	352.438	1.290	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000522010458	539531593	/nfs/dbraw/zinc/53/15/93/539531593.db2.gz	RNGIJMQCHLVRTJ-WFASDCNBSA-N	1	0	370.375	1.278	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N2CCC([NH+]3CCCCC3)CC2)cc1	ZINC000264681677	179166217	/nfs/dbraw/zinc/16/62/17/179166217.db2.gz	ZFJDUFVAVPJUHW-UHFFFAOYSA-N	1	0	354.454	1.765	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1	ZINC000522811231	539582348	/nfs/dbraw/zinc/58/23/48/539582348.db2.gz	BEFZEZMNXXINMU-QGZVFWFLSA-N	1	0	363.483	1.320	20	30		FDEDRO
CC(C)OCCOC[C@H](O)C[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1	ZINC000265279098	179328460	/nfs/dbraw/zinc/32/84/60/179328460.db2.gz	WOHYKBOCQRBWKM-MSOLQXFVSA-N	1	0	366.458	1.032	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)c1ccsc1	ZINC000524275938	539641320	/nfs/dbraw/zinc/64/13/20/539641320.db2.gz	DZRXGFJADDNOGD-INIZCTEOSA-N	1	0	356.451	1.769	20	30		FDEDRO
CC1([NH+]2CCOCC2)CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1	ZINC000528728845	539779984	/nfs/dbraw/zinc/77/99/84/539779984.db2.gz	PRKQQAXEGULLJC-MRXNPFEDSA-N	1	0	374.510	1.912	20	30		FDEDRO
CCOC(=O)[C@@](C)(O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000274592819	181128694	/nfs/dbraw/zinc/12/86/94/181128694.db2.gz	KLPJVZUFJTXMME-IBGZPJMESA-N	1	0	359.426	1.523	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1)C(C)C	ZINC000268448521	674089311	/nfs/dbraw/zinc/08/93/11/674089311.db2.gz	LXNOEJBEQBVBSZ-OAGGEKHMSA-N	1	0	352.479	1.017	20	30		FDEDRO
CN1CCC[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1=O	ZINC000531127374	540082736	/nfs/dbraw/zinc/08/27/36/540082736.db2.gz	LLXDLHYDWBQHHO-GOSISDBHSA-N	1	0	369.469	1.396	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)n(CCC#N)n1	ZINC000532598529	540175880	/nfs/dbraw/zinc/17/58/80/540175880.db2.gz	MQXFOTKNXMPSGP-AWEZNQCLSA-N	1	0	374.489	1.670	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCC2)cc1C#N	ZINC000532935971	540191423	/nfs/dbraw/zinc/19/14/23/540191423.db2.gz	KESOKFHXTAPROI-CQSZACIVSA-N	1	0	358.442	1.884	20	30		FDEDRO
CCC[N@H+](CCC(=O)Nc1sccc1C#N)[C@H]1CCS(=O)(=O)C1	ZINC000533244197	540219706	/nfs/dbraw/zinc/21/97/06/540219706.db2.gz	SXFNGWOHKHDGMI-ZDUSSCGKSA-N	1	0	355.485	1.847	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1	ZINC000275091224	181235856	/nfs/dbraw/zinc/23/58/56/181235856.db2.gz	HWXGVRGYKHAEAS-AAEUAGOBSA-N	1	0	368.359	1.886	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+]C(C)(C)C(=O)N(C)C)c(OC)c1	ZINC000533387073	540241506	/nfs/dbraw/zinc/24/15/06/540241506.db2.gz	ZINYHTCRQUSDHZ-HNNXBMFYSA-N	1	0	350.459	1.620	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)C1	ZINC000481063557	538872033	/nfs/dbraw/zinc/87/20/33/538872033.db2.gz	VMVAYQBNHKTJFR-KGLIPLIRSA-N	1	0	364.471	1.836	20	30		FDEDRO
C[NH+](C)CCn1cc(NC(=O)C2(c3cccc(C#N)c3)CC2)ccc1=O	ZINC000533779337	540285980	/nfs/dbraw/zinc/28/59/80/540285980.db2.gz	RBGQUCMEYZVPJO-UHFFFAOYSA-N	1	0	350.422	1.952	20	30		FDEDRO
COC(=O)c1cccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1C#N	ZINC000535014262	540439385	/nfs/dbraw/zinc/43/93/85/540439385.db2.gz	VATNPYNHWVIECD-OXJNMPFZSA-N	1	0	370.497	1.803	20	30		FDEDRO
COC(=O)C1CC[NH+](CCCNC(=O)[C@H](C)Oc2ccccc2C#N)CC1	ZINC000535517045	540479538	/nfs/dbraw/zinc/47/95/38/540479538.db2.gz	VEQLZBCKCAFGAY-HNNXBMFYSA-N	1	0	373.453	1.717	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)c1	ZINC000536019554	540540213	/nfs/dbraw/zinc/54/02/13/540540213.db2.gz	VGFHXLZDLDXVMF-UHFFFAOYSA-N	1	0	367.409	1.353	20	30		FDEDRO
C=CC[C@H](CO)CNC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1	ZINC000537110212	540686570	/nfs/dbraw/zinc/68/65/70/540686570.db2.gz	PXOVBPZNTHILAY-INIZCTEOSA-N	1	0	353.507	1.894	20	30		FDEDRO
C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1ccc(C#N)c(F)c1	ZINC000537407533	540727338	/nfs/dbraw/zinc/72/73/38/540727338.db2.gz	QDGIJRSMHQSWSH-NSHDSACASA-N	1	0	352.391	1.456	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000538269652	540834684	/nfs/dbraw/zinc/83/46/84/540834684.db2.gz	MXKCXYWXAHYALX-OAHLLOKOSA-N	1	0	358.442	1.025	20	30		FDEDRO
COc1cc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)ccc1OCCO	ZINC000540378348	541052344	/nfs/dbraw/zinc/05/23/44/541052344.db2.gz	GLWIQIWJFNCPJK-DJJJIMSYSA-N	1	0	361.442	1.525	20	30		FDEDRO
CC(C)[N@@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C[C@H](C)O	ZINC000540551034	541073784	/nfs/dbraw/zinc/07/37/84/541073784.db2.gz	XSVMWDLCHOTCIV-JKSUJKDBSA-N	1	0	364.515	1.548	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H](CO)C2CCCCC2)CC1	ZINC000541056122	541143852	/nfs/dbraw/zinc/14/38/52/541143852.db2.gz	YHRAEDYATSITIA-MSOLQXFVSA-N	1	0	350.507	1.210	20	30		FDEDRO
CC[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1c(C)nn(C)c1C	ZINC000541597902	541233892	/nfs/dbraw/zinc/23/38/92/541233892.db2.gz	PCTGEPFWTXPQFM-ZWKOTPCHSA-N	1	0	374.533	1.770	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+](CCO)C1CCOCC1	ZINC000275565374	181353166	/nfs/dbraw/zinc/35/31/66/181353166.db2.gz	ODAPVGFJLLDPDA-UHFFFAOYSA-N	1	0	369.425	1.156	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]CCc1nc(-c2cccc(Cl)c2)no1	ZINC000570564399	549326736	/nfs/dbraw/zinc/32/67/36/549326736.db2.gz	OUWKUQHHIPYNNX-HNNXBMFYSA-N	1	0	363.849	1.728	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCC(C)(C)[NH+]1CCCCC1	ZINC000542825180	541479678	/nfs/dbraw/zinc/47/96/78/541479678.db2.gz	KUWAGEVDUQLMKI-UHFFFAOYSA-N	1	0	361.494	1.702	20	30		FDEDRO
Cc1onc(CC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1C#N	ZINC000542918271	541502334	/nfs/dbraw/zinc/50/23/34/541502334.db2.gz	WNLZMMCVPWQYFQ-MRXNPFEDSA-N	1	0	354.410	1.280	20	30		FDEDRO
CN1CC[NH+](CC2(C)CCN(C(=O)Cc3cccc(C#N)c3)CC2)CC1	ZINC000543609084	541620522	/nfs/dbraw/zinc/62/05/22/541620522.db2.gz	NVAPOEXVNBSPIR-UHFFFAOYSA-N	1	0	354.498	1.977	20	30		FDEDRO
CC[NH+](CC)CCOCCNS(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000543686305	541635895	/nfs/dbraw/zinc/63/58/95/541635895.db2.gz	GUURSYOHYMUNAD-UHFFFAOYSA-N	1	0	359.879	1.848	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCN(C)c1cc[nH+]cc1	ZINC000543712251	541642908	/nfs/dbraw/zinc/64/29/08/541642908.db2.gz	BMODEXUJQGUBRL-HNNXBMFYSA-N	1	0	365.441	1.307	20	30		FDEDRO
N#Cc1cc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)ccc1Cl	ZINC000544635641	541798928	/nfs/dbraw/zinc/79/89/28/541798928.db2.gz	OPQIYGYYYIYQSA-UHFFFAOYSA-N	1	0	360.845	1.592	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1	ZINC000544842258	541840915	/nfs/dbraw/zinc/84/09/15/541840915.db2.gz	GUZONTJMAVQUDI-UHFFFAOYSA-N	1	0	354.458	1.435	20	30		FDEDRO
C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1	ZINC000544851925	541843145	/nfs/dbraw/zinc/84/31/45/541843145.db2.gz	HXIUOQFJPAXXCZ-DOTOQJQBSA-N	1	0	356.474	1.658	20	30		FDEDRO
C[NH+](C)CCc1ccc(CNC(=O)C(=O)Nc2ccc(C#N)cc2)cc1	ZINC000276374343	181577459	/nfs/dbraw/zinc/57/74/59/181577459.db2.gz	HHSQSZSVYFXBCC-UHFFFAOYSA-N	1	0	350.422	1.917	20	30		FDEDRO
COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2C[C@@H](O)COc2ccc(C#N)cc2)O1	ZINC000282497078	182019913	/nfs/dbraw/zinc/01/99/13/182019913.db2.gz	QKISICOUAZDUMJ-TTYWBHEPSA-N	1	0	374.437	1.481	20	30		FDEDRO
COC(=O)[C@]1(C)C[N@@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@H]1C	ZINC000283868557	182297947	/nfs/dbraw/zinc/29/79/47/182297947.db2.gz	SVBQQQYZDONEQM-KPAZRMRSSA-N	1	0	355.394	1.321	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000545295344	541928775	/nfs/dbraw/zinc/92/87/75/541928775.db2.gz	CRNDJDLBHIMGMK-ZNMIVQPWSA-N	1	0	372.469	1.988	20	30		FDEDRO
C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2cccc(C#N)c2)[C@@H]1c1ccccc1	ZINC000284080211	182358308	/nfs/dbraw/zinc/35/83/08/182358308.db2.gz	RYOCTGKJKHKXJS-MOPGFXCFSA-N	1	0	362.433	1.736	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C#N)cc2OC)CC1	ZINC000546002049	542071814	/nfs/dbraw/zinc/07/18/14/542071814.db2.gz	RHFPLWKDBYNNKN-UHFFFAOYSA-N	1	0	356.426	1.662	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C	ZINC000546003534	542072933	/nfs/dbraw/zinc/07/29/33/542072933.db2.gz	RRHQIKGYJGVZID-MRXNPFEDSA-N	1	0	373.457	1.631	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C	ZINC000546002893	542072953	/nfs/dbraw/zinc/07/29/53/542072953.db2.gz	SNNZYWVPYQDLQD-UONOGXRCSA-N	1	0	358.442	1.884	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1C#N	ZINC000285350320	182782516	/nfs/dbraw/zinc/78/25/16/182782516.db2.gz	ATZQWXDDMYCBNO-GDBMZVCRSA-N	1	0	351.472	1.764	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)CC1(C#N)CCCC1	ZINC000546072764	542089732	/nfs/dbraw/zinc/08/97/32/542089732.db2.gz	BJMBDIZLPDQMQE-UHFFFAOYSA-N	1	0	350.488	1.859	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)N(C)Cc1cccc(C#N)c1)[NH+]1CCC(C)CC1	ZINC000286370418	183049862	/nfs/dbraw/zinc/04/98/62/183049862.db2.gz	UDRUFJDDPSRHTJ-MRXNPFEDSA-N	1	0	356.470	1.753	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000546612524	542182340	/nfs/dbraw/zinc/18/23/40/542182340.db2.gz	FBTOHCAJNPZRLL-JKSUJKDBSA-N	1	0	365.441	2.196	20	30		FDEDRO
C[C@@H](C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1)n1cnc(C#N)n1	ZINC000546676468	542197002	/nfs/dbraw/zinc/19/70/02/542197002.db2.gz	XGHDQOHXYYMAER-HNNXBMFYSA-N	1	0	367.457	1.271	20	30		FDEDRO
C[C@H](c1ccc(NC(=O)NCCn2cnc(C#N)n2)cc1)N1CCOCC1	ZINC000287372460	183276046	/nfs/dbraw/zinc/27/60/46/183276046.db2.gz	TUMFLKDYECUITL-CQSZACIVSA-N	1	0	369.429	1.365	20	30		FDEDRO
COC[C@@]1(C(=O)OC)CCN(CC(=O)Nc2sc(C)c(C)c2C#N)C1	ZINC000295119026	184035036	/nfs/dbraw/zinc/03/50/36/184035036.db2.gz	INNLSQMREIGNMB-QGZVFWFLSA-N	1	0	365.455	1.687	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1	ZINC000295510345	184078455	/nfs/dbraw/zinc/07/84/55/184078455.db2.gz	PWKLUJXQWZRHKY-QGZVFWFLSA-N	1	0	372.469	1.630	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC[N@@H+](C2CC2)C1	ZINC000296355725	184157239	/nfs/dbraw/zinc/15/72/39/184157239.db2.gz	VHXQNJHTLIKHCP-CQSZACIVSA-N	1	0	352.438	1.390	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2	ZINC000297889424	184350427	/nfs/dbraw/zinc/35/04/27/184350427.db2.gz	OKZWLVHTTMUFDR-FQEVSTJZSA-N	1	0	354.454	1.461	20	30		FDEDRO
CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N(C)Cc1ccc(C#N)cc1	ZINC000297983424	184368694	/nfs/dbraw/zinc/36/86/94/184368694.db2.gz	UUIBHWVIBHBBIJ-SFHVURJKSA-N	1	0	356.470	1.849	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1	ZINC000298083189	184389097	/nfs/dbraw/zinc/38/90/97/184389097.db2.gz	MUFZBBLOOCZWQT-UHFFFAOYSA-N	1	0	368.481	1.994	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1	ZINC000547415896	542335181	/nfs/dbraw/zinc/33/51/81/542335181.db2.gz	IRJNVYIGCNCYDK-UHFFFAOYSA-N	1	0	370.453	1.982	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1ccc(C(N)=O)cc1)C(C)C	ZINC000547712613	542425476	/nfs/dbraw/zinc/42/54/76/542425476.db2.gz	HEFHIPGMGKHBEJ-KRWDZBQOSA-N	1	0	365.499	1.762	20	30		FDEDRO
C[NH+](C)CCOc1cccc(CNS(=O)(=O)c2ccc(C#N)nc2)c1	ZINC000170664611	258264545	/nfs/dbraw/zinc/26/45/45/258264545.db2.gz	HTRYPWDYPRQGQG-UHFFFAOYSA-N	1	0	360.439	1.372	20	30		FDEDRO
C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000549162700	542845923	/nfs/dbraw/zinc/84/59/23/542845923.db2.gz	QSXMHBPXDYRESL-STQMWFEESA-N	1	0	372.450	1.883	20	30		FDEDRO
N#Cc1cnn2c1NC[C@H](C[NH2+]C[C@H]1C[C@H](O)CN1Cc1ccccc1)C2	ZINC000550977909	543209562	/nfs/dbraw/zinc/20/95/62/543209562.db2.gz	KSODUTSBWCRJLU-UHOSZYNNSA-N	1	0	366.469	1.021	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCO[C@@H]2CCCC[C@@H]2C)CC1	ZINC000551144090	543240563	/nfs/dbraw/zinc/24/05/63/543240563.db2.gz	UJATVHZAVJYAOF-DOTOQJQBSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCO[C@H]2CCCC[C@@H]2C)CC1	ZINC000551144092	543240855	/nfs/dbraw/zinc/24/08/55/543240855.db2.gz	UJATVHZAVJYAOF-RDJZCZTQSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]([C@H](C)O)C1)C(C)C	ZINC000551213334	543253116	/nfs/dbraw/zinc/25/31/16/543253116.db2.gz	NXGXPPWCJJJSJW-RCCFBDPRSA-N	1	0	365.518	1.421	20	30		FDEDRO
COCCO[C@@H]1COCC[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1	ZINC000552066336	543413283	/nfs/dbraw/zinc/41/32/83/543413283.db2.gz	GATVWYSGWNCOCT-VQTJNVASSA-N	1	0	359.470	1.937	20	30		FDEDRO
C[NH+](C)[C@H]1CN(C(=O)c2ccc(COc3ccccc3C#N)o2)C[C@@H]1O	ZINC000552158183	543427151	/nfs/dbraw/zinc/42/71/51/543427151.db2.gz	FWGNUXJJMLOYTH-HOTGVXAUSA-N	1	0	355.394	1.477	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1	ZINC000553194027	543584613	/nfs/dbraw/zinc/58/46/13/543584613.db2.gz	ZEVHWLSAQFUPIZ-IEBWSBKVSA-N	1	0	373.497	1.817	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1	ZINC000066239763	171990874	/nfs/dbraw/zinc/99/08/74/171990874.db2.gz	DTBSJPKPLSPSGI-UHFFFAOYSA-N	1	0	352.442	1.929	20	30		FDEDRO
CC[C@@H](CO)[NH+]1CCN([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000072797696	172049778	/nfs/dbraw/zinc/04/97/78/172049778.db2.gz	MVWSMOXQTCVZKN-BBRMVZONSA-N	1	0	364.877	1.927	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C	ZINC000081171645	172184698	/nfs/dbraw/zinc/18/46/98/172184698.db2.gz	ROXGVIXTISGGBU-CABCVRRESA-N	1	0	356.426	1.591	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)Nc3ccc(F)c(C#N)c3)CC2)CCO1	ZINC000102964151	172357632	/nfs/dbraw/zinc/35/76/32/172357632.db2.gz	SOUSNDLHYKTKIH-CYBMUJFWSA-N	1	0	374.416	1.348	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](N3CCC(C[NH+]4CCOCC4)CC3)C2=O)cc1	ZINC000103482207	172368601	/nfs/dbraw/zinc/36/86/01/172368601.db2.gz	QEFQMFPZKTWVEP-HXUWFJFHSA-N	1	0	368.481	1.708	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(c2ncccc2C#N)CC1)[N@@H+]1CCC[C@H](C)C1	ZINC000126958712	173060718	/nfs/dbraw/zinc/06/07/18/173060718.db2.gz	MNQHRTVUSIRFHB-IRXDYDNUSA-N	1	0	370.501	1.905	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)C[N@@H+]1C1CC1	ZINC000127311374	173072154	/nfs/dbraw/zinc/07/21/54/173072154.db2.gz	VTUDATMZYFJQCF-ZBFHGGJFSA-N	1	0	354.458	1.410	20	30		FDEDRO
C[C@@H](CO[C@@H]1CCOC1)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000130822865	173181053	/nfs/dbraw/zinc/18/10/53/173181053.db2.gz	RGSDTNYCRSDPNK-QFBILLFUSA-N	1	0	374.485	1.825	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+][C@]2(CO)CCc3ccccc32)c1	ZINC000132239462	173225976	/nfs/dbraw/zinc/22/59/76/173225976.db2.gz	XMCRQEFEPRBYOJ-IBGZPJMESA-N	1	0	356.447	1.756	20	30		FDEDRO
C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccc(C#N)cc2F)C[C@H](C)O1	ZINC000135762249	173352755	/nfs/dbraw/zinc/35/27/55/173352755.db2.gz	LWQDBEJXSKDSHV-STQMWFEESA-N	1	0	362.405	1.251	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)NCCOc3ccc(C#N)cc3)C2)CC1	ZINC000175982267	174041957	/nfs/dbraw/zinc/04/19/57/174041957.db2.gz	PQGLGVLMXRFEPS-GOSISDBHSA-N	1	0	371.485	1.358	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN([C@H](C(=O)OC)c2cccc(C#N)c2)CC1	ZINC000177048334	174103109	/nfs/dbraw/zinc/10/31/09/174103109.db2.gz	VGKWBPRNYKBHAN-IBGZPJMESA-N	1	0	372.469	1.258	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1	ZINC000177109218	174106479	/nfs/dbraw/zinc/10/64/79/174106479.db2.gz	NNYPBAIYLFFPQF-BLLLJJGKSA-N	1	0	366.469	1.892	20	30		FDEDRO
Cc1oc(NC(=O)CN(C)CC[N@H+](C)C2CCN(C)CC2)c(C#N)c1C	ZINC000177385942	174127238	/nfs/dbraw/zinc/12/72/38/174127238.db2.gz	ALUCCMUNDOTLCY-UHFFFAOYSA-N	1	0	361.490	1.664	20	30		FDEDRO
Cn1ccnc1CN1CCC(C(=O)NCCOc2ccc(C#N)cc2)CC1	ZINC000173900043	258314185	/nfs/dbraw/zinc/31/41/85/258314185.db2.gz	RPTFVUVKXCPRDV-UHFFFAOYSA-N	1	0	367.453	1.699	20	30		FDEDRO
N#Cc1ccc(-c2nnc(CN3CC[NH+](C[C@@H]4CCOC4)CC3)o2)cc1	ZINC000178491409	258328735	/nfs/dbraw/zinc/32/87/35/258328735.db2.gz	CLYXVTKQXLKXSK-INIZCTEOSA-N	1	0	353.426	1.762	20	30		FDEDRO
CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000184609481	258382134	/nfs/dbraw/zinc/38/21/34/258382134.db2.gz	XMXLIKONGZCYOG-INIZCTEOSA-N	1	0	371.445	1.617	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)CC1	ZINC000553328099	543609776	/nfs/dbraw/zinc/60/97/76/543609776.db2.gz	FCUQBSMEIFCXJM-UHFFFAOYSA-N	1	0	362.518	1.230	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H](CCOC)C2)CC1	ZINC000553330670	543611555	/nfs/dbraw/zinc/61/15/55/543611555.db2.gz	PNGHXMTVUWYEPF-INIZCTEOSA-N	1	0	351.491	1.418	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)CCc2cccn2C)CC1	ZINC000553394972	543625664	/nfs/dbraw/zinc/62/56/64/543625664.db2.gz	AVSIVSNEDLBZQY-MRXNPFEDSA-N	1	0	360.502	1.619	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC1	ZINC000553397671	543626565	/nfs/dbraw/zinc/62/65/65/543626565.db2.gz	WUINQKRABXJBGD-GVDBMIGSSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCCCC[NH+]1CCCCC1	ZINC000554279579	543774476	/nfs/dbraw/zinc/77/44/76/543774476.db2.gz	NVROCGLGDZGUGT-MSOLQXFVSA-N	1	0	365.518	1.856	20	30		FDEDRO
C[C@@H]1CN(C[C@@H](O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)C[C@H](C)O1	ZINC000554566057	543825558	/nfs/dbraw/zinc/82/55/58/543825558.db2.gz	IUYTZIKAPHSTGW-KSZLIROESA-N	1	0	358.486	1.409	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCc2nnc(C)n2C1	ZINC000554591330	543831401	/nfs/dbraw/zinc/83/14/01/543831401.db2.gz	RSWMIAUYBSMTIM-SJLPKXTDSA-N	1	0	356.470	1.907	20	30		FDEDRO
C=CCn1c(C2CCCC2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000554638642	543842446	/nfs/dbraw/zinc/84/24/46/543842446.db2.gz	DJIKVEHKGMZERZ-UHFFFAOYSA-N	1	0	372.517	1.866	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]C2CCN(c3ccccn3)CC2)cc1	ZINC000554863642	543883290	/nfs/dbraw/zinc/88/32/90/543883290.db2.gz	UXPADMRAMIJHQU-SFHVURJKSA-N	1	0	352.438	1.952	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(c2cnccc2C#N)CC1)C[NH+]1CCCCC1	ZINC000555542105	543969556	/nfs/dbraw/zinc/96/95/56/543969556.db2.gz	KDBFVUHMCWGJNZ-KRWDZBQOSA-N	1	0	370.501	1.907	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NCC1([NH+]2CCCCC2)CCCCC1	ZINC000555648885	543996326	/nfs/dbraw/zinc/99/63/26/543996326.db2.gz	AXCFYCVKQPYSEB-UHFFFAOYSA-N	1	0	365.518	1.952	20	30		FDEDRO
CN1CC[N@H+](CCCNC(=O)NCC2(C#N)CC2)[C@H](c2ccccc2)C1	ZINC000555680331	544004180	/nfs/dbraw/zinc/00/41/80/544004180.db2.gz	WWODURMBZXHYLG-SFHVURJKSA-N	1	0	355.486	1.968	20	30		FDEDRO
CC1CCC([NH+]2CCN(C(=O)C(=O)NCc3cccc(C#N)c3)CC2)CC1	ZINC000556039468	544080140	/nfs/dbraw/zinc/08/01/40/544080140.db2.gz	UZYICBZOFHLGBP-UHFFFAOYSA-N	1	0	368.481	1.897	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1	ZINC000556358835	544135917	/nfs/dbraw/zinc/13/59/17/544135917.db2.gz	BCFJECLQJLYWHK-UHFFFAOYSA-N	1	0	355.486	1.942	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000556363440	544136534	/nfs/dbraw/zinc/13/65/34/544136534.db2.gz	WJLJHEIIQXIQHT-MOPGFXCFSA-N	1	0	371.481	1.953	20	30		FDEDRO
N#CCC[C@H](C#N)C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1	ZINC000556793575	544202347	/nfs/dbraw/zinc/20/23/47/544202347.db2.gz	DCCRBVJPORNWFC-ZIAGYGMSSA-N	1	0	352.485	1.792	20	30		FDEDRO
COc1cc(CNC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)ccc1C#N	ZINC000557199912	544262106	/nfs/dbraw/zinc/26/21/06/544262106.db2.gz	KAPHZZHXXWYALX-PKOBYXMFSA-N	1	0	372.469	1.995	20	30		FDEDRO
CC[NH+](CC)CCOC1CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)CC1	ZINC000557321894	544278428	/nfs/dbraw/zinc/27/84/28/544278428.db2.gz	OKUQWGQVQKJGLI-UHFFFAOYSA-N	1	0	373.457	1.241	20	30		FDEDRO
CCC[N@H+](C)[C@@H](CNC(=O)NCC(=O)NCC#N)c1ccc(Cl)cc1	ZINC000558107387	544385519	/nfs/dbraw/zinc/38/55/19/544385519.db2.gz	MXYAELQLYMPVQC-HNNXBMFYSA-N	1	0	365.865	1.662	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CC[NH+](C)CC1)N1CCN(c2ccc(F)cc2)CC1	ZINC000558296344	544408287	/nfs/dbraw/zinc/40/82/87/544408287.db2.gz	WVWQIILIFCOOQU-MRXNPFEDSA-N	1	0	373.476	1.440	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]CCCCN2CCOCC2)c1	ZINC000558718269	544514242	/nfs/dbraw/zinc/51/42/42/544514242.db2.gz	MHCIWRWBGNQMCB-UHFFFAOYSA-N	1	0	351.472	1.034	20	30		FDEDRO
Cn1nccc1COCC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000559519136	544714510	/nfs/dbraw/zinc/71/45/10/544714510.db2.gz	DRCCWIZNTWBBGQ-UHFFFAOYSA-N	1	0	355.442	1.399	20	30		FDEDRO
C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)C[C@@H](C)C1	ZINC000560151986	544898332	/nfs/dbraw/zinc/89/83/32/544898332.db2.gz	QAEUJWUWMGYPKV-RLFYNMQTSA-N	1	0	366.465	1.636	20	30		FDEDRO
CN(CCC[NH+]1CCN(C)CC1)[C@H]1CCN(c2sccc2C#N)C1=O	ZINC000299710407	259018554	/nfs/dbraw/zinc/01/85/54/259018554.db2.gz	QGFMICMMFCKDAL-INIZCTEOSA-N	1	0	361.515	1.294	20	30		FDEDRO
C[C@H](c1ccccc1)[NH+]1CCC(Nc2c(C#N)c(=O)n(C)c(=O)n2C)CC1	ZINC000301321043	259025769	/nfs/dbraw/zinc/02/57/69/259025769.db2.gz	SNPWOYDVNQBRPU-CQSZACIVSA-N	1	0	367.453	1.593	20	30		FDEDRO
N#Cc1ccc(N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cn1	ZINC000301540266	259029062	/nfs/dbraw/zinc/02/90/62/259029062.db2.gz	VFNFUGFHRUBWQS-QGZVFWFLSA-N	1	0	365.441	1.661	20	30		FDEDRO
Cn1c(N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c(C#N)c(=O)n(C)c1=O	ZINC000301841399	259034575	/nfs/dbraw/zinc/03/45/75/259034575.db2.gz	BTZFJPJOOMMIBM-CABCVRRESA-N	1	0	373.844	1.466	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@@H]3[C@H]3COCC[C@@H]3O)C2=O)cc1	ZINC000328774672	259057699	/nfs/dbraw/zinc/05/76/99/259057699.db2.gz	HRNHHSFXGVAHPT-YRXWBPOGSA-N	1	0	355.438	1.525	20	30		FDEDRO
Cc1onc(CC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1C#N	ZINC000329864222	259114314	/nfs/dbraw/zinc/11/43/14/259114314.db2.gz	ZNJWQPQWOHYLOC-UHFFFAOYSA-N	1	0	359.474	1.273	20	30		FDEDRO
C[C@@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)CN1CC[NH+](C)CC1	ZINC000330494814	259147621	/nfs/dbraw/zinc/14/76/21/259147621.db2.gz	VQGSGHSUAGIJJY-ZDUSSCGKSA-N	1	0	370.906	1.373	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C[C@@H]1[NH+](C)C	ZINC000330562215	259150752	/nfs/dbraw/zinc/15/07/52/259150752.db2.gz	AIAQJZFLULNMQV-UONOGXRCSA-N	1	0	359.904	1.878	20	30		FDEDRO
C[C@H]1COCCN1CC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000331567088	259204684	/nfs/dbraw/zinc/20/46/84/259204684.db2.gz	UPMNWQMSBCGMBD-INIZCTEOSA-N	1	0	356.470	1.929	20	30		FDEDRO
CC(C)(C)c1csc(NC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)c1C#N	ZINC000331775216	259219098	/nfs/dbraw/zinc/21/90/98/259219098.db2.gz	GIYDTNLDGIOLML-VXGBXAGGSA-N	1	0	360.483	1.924	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1	ZINC000331822036	259221893	/nfs/dbraw/zinc/22/18/93/259221893.db2.gz	PQCQXMZVQPLRHG-RRFJBIMHSA-N	1	0	357.458	1.639	20	30		FDEDRO
C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](C)C[NH2+]1	ZINC000331858286	259225214	/nfs/dbraw/zinc/22/52/14/259225214.db2.gz	NDPZRTPMDMGHRS-JKIFEVAISA-N	1	0	355.442	1.445	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)C[C@H]1[NH+]1CCCC1	ZINC000332070245	259238852	/nfs/dbraw/zinc/23/88/52/259238852.db2.gz	BPCWLWZEWAQEKA-HZPDHXFCSA-N	1	0	351.497	1.759	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1	ZINC000332107582	259241903	/nfs/dbraw/zinc/24/19/03/259241903.db2.gz	ZVXOSQPIAPTAAS-SJORKVTESA-N	1	0	369.513	1.986	20	30		FDEDRO
C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000332331565	259257924	/nfs/dbraw/zinc/25/79/24/259257924.db2.gz	QWDQFOKGXVDSPL-MOPGFXCFSA-N	1	0	355.486	1.868	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1	ZINC000333494737	259353745	/nfs/dbraw/zinc/35/37/45/259353745.db2.gz	DRPFPOYCKFTKTH-WMZOPIPTSA-N	1	0	363.483	1.774	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1	ZINC000333637660	259365780	/nfs/dbraw/zinc/36/57/80/259365780.db2.gz	HQBRGDGFFQUYHB-IRXDYDNUSA-N	1	0	363.483	1.774	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1	ZINC000333655826	259367355	/nfs/dbraw/zinc/36/73/55/259367355.db2.gz	KPSNALCHMDXWQT-IAGOWNOFSA-N	1	0	363.483	1.774	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(F)cc1C#N	ZINC000360455667	259432271	/nfs/dbraw/zinc/43/22/71/259432271.db2.gz	SHSMAVIEOUWORJ-BZUAXINKSA-N	1	0	367.446	1.570	20	30		FDEDRO
N#Cc1ccc(CN2CCN(CC(=O)N3CCOC[C@H]3C3CC3)CC2)cc1	ZINC000367242031	260014604	/nfs/dbraw/zinc/01/46/04/260014604.db2.gz	VNZGADUNERXGRP-FQEVSTJZSA-N	1	0	368.481	1.313	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+][C@H](CC(N)=O)C3CCOCC3)CC2)cc1	ZINC000367308603	260024457	/nfs/dbraw/zinc/02/44/57/260024457.db2.gz	QAEVFBSGPXTNHS-LJQANCHMSA-N	1	0	356.470	1.787	20	30		FDEDRO
C[C@H]1CN(C(=O)NCc2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1	ZINC000367536006	260057792	/nfs/dbraw/zinc/05/77/92/260057792.db2.gz	OKDBHBLAAAFAOM-INIZCTEOSA-N	1	0	355.486	1.868	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)c(F)c1	ZINC000367713158	260079749	/nfs/dbraw/zinc/07/97/49/260079749.db2.gz	QLAPNPOOJKABQL-YESZJQIVSA-N	1	0	372.444	1.503	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1	ZINC000368152073	260141816	/nfs/dbraw/zinc/14/18/16/260141816.db2.gz	LQIOMAZOOAKMJS-KUHUBIRLSA-N	1	0	374.464	1.598	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([NH2+]C3CCS(=O)(=O)CC3)C2)c(F)c1	ZINC000368262152	260158018	/nfs/dbraw/zinc/15/80/18/260158018.db2.gz	VYOIYWSRNAAFGZ-OAHLLOKOSA-N	1	0	351.447	1.833	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)s2)CCN1C1CC[NH+](C)CC1	ZINC000368524819	260195457	/nfs/dbraw/zinc/19/54/57/260195457.db2.gz	BZQWUPFENWIPDV-CYBMUJFWSA-N	1	0	368.528	1.409	20	30		FDEDRO
CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1	ZINC000368664068	260217302	/nfs/dbraw/zinc/21/73/02/260217302.db2.gz	UDOITTNPMYCDHB-MOPGFXCFSA-N	1	0	354.454	1.650	20	30		FDEDRO
COC(=O)c1cn([C@H]2CC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)nn1	ZINC000368837059	260245747	/nfs/dbraw/zinc/24/57/47/260245747.db2.gz	ZMHSHQURZXHGGL-HNNXBMFYSA-N	1	0	368.397	1.212	20	30		FDEDRO
C[C@@H]1CN(CC(=O)NCc2cccc(C#N)c2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000374323378	261111043	/nfs/dbraw/zinc/11/10/43/261111043.db2.gz	IBMPZDXQTDXOOF-YLJYHZDGSA-N	1	0	369.513	1.132	20	30		FDEDRO
COCCCn1nccc1C[NH2+]C1CCN(c2ccc(C#N)cn2)CC1	ZINC000374676655	261173479	/nfs/dbraw/zinc/17/34/79/261173479.db2.gz	PTABEYGUEFJOKO-UHFFFAOYSA-N	1	0	354.458	1.945	20	30		FDEDRO
CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCCN(c3ccc(C#N)cc3)CC2)C1	ZINC000374874799	261216599	/nfs/dbraw/zinc/21/65/99/261216599.db2.gz	KMFLBXAEVRODHC-KRWDZBQOSA-N	1	0	362.499	1.352	20	30		FDEDRO
COCC[N@H+](C)CC[C@@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)c1ccccc1	ZINC000409661826	262131978	/nfs/dbraw/zinc/13/19/78/262131978.db2.gz	DVSVWVLEJQNUCG-NVXWUHKLSA-N	1	0	370.457	1.537	20	30		FDEDRO
C[C@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)n1cnc(C#N)n1	ZINC000409826608	262141433	/nfs/dbraw/zinc/14/14/33/262141433.db2.gz	ZOLBRXJPJBBSFB-CYBMUJFWSA-N	1	0	368.445	1.275	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@@H]1[NH+](C)C	ZINC000270548265	674225811	/nfs/dbraw/zinc/22/58/11/674225811.db2.gz	GHCMFQDIOYSNKN-KBPBESRZSA-N	1	0	359.904	1.878	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@H]1[NH+](C)C	ZINC000270548267	674225997	/nfs/dbraw/zinc/22/59/97/674225997.db2.gz	GHCMFQDIOYSNKN-KGLIPLIRSA-N	1	0	359.904	1.878	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1	ZINC000892186623	782043180	/nfs/dbraw/zinc/04/31/80/782043180.db2.gz	AHXAZMFIBLJQNI-OKZBNKHCSA-N	1	0	353.470	1.778	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCCNc1cc[nH+]cc1	ZINC000499114196	490389457	/nfs/dbraw/zinc/38/94/57/490389457.db2.gz	AJDLGDJODKBEJF-UHFFFAOYSA-N	1	0	362.397	1.498	20	30		FDEDRO
Cn1cc(C#N)c(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)n1	ZINC000618378877	492227172	/nfs/dbraw/zinc/22/71/72/492227172.db2.gz	XXHRHKAEJFJGFP-KRWDZBQOSA-N	1	0	368.441	1.570	20	30		FDEDRO
Cn1cc(C#N)c(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)n1	ZINC000610876684	492265911	/nfs/dbraw/zinc/26/59/11/492265911.db2.gz	OSTGVUMPGGYBOA-NVXWUHKLSA-N	1	0	368.441	1.296	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000022086028	518892251	/nfs/dbraw/zinc/89/22/51/518892251.db2.gz	KUQOTSJMNIOBQT-GASCZTMLSA-N	1	0	361.442	1.561	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)NCc2ccccc2)CC1	ZINC000024742755	519012472	/nfs/dbraw/zinc/01/24/72/519012472.db2.gz	GXPOCQGPGKSSOT-OAHLLOKOSA-N	1	0	372.469	1.415	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000028961354	519259772	/nfs/dbraw/zinc/25/97/72/519259772.db2.gz	NBYIHOMLDCJIFW-UHFFFAOYSA-N	1	0	355.442	1.078	20	30		FDEDRO
CC[NH+](CC)[C@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)Cc1ccccc1	ZINC000031653545	519452480	/nfs/dbraw/zinc/45/24/80/519452480.db2.gz	UPYZOFOUMHYDQP-INIZCTEOSA-N	1	0	369.469	1.321	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1)[NH+]1CCN(C)CC1	ZINC000042578153	519695976	/nfs/dbraw/zinc/69/59/76/519695976.db2.gz	WQRIOLBHDQSHGO-VQIMIIECSA-N	1	0	358.486	1.714	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CCc1nc(-c2ncccn2)no1	ZINC000069576256	521918690	/nfs/dbraw/zinc/91/86/90/521918690.db2.gz	UVCHERVRYVGTNE-UHFFFAOYSA-N	1	0	357.418	1.153	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(=O)n(-c2ccccc2)n1	ZINC000069576372	521919191	/nfs/dbraw/zinc/91/91/91/521919191.db2.gz	DICCHZKFDINVRF-UHFFFAOYSA-N	1	0	353.426	1.540	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(CC[NH+]2CCCC2)CC1	ZINC000057670864	522124765	/nfs/dbraw/zinc/12/47/65/522124765.db2.gz	NGKOERHGIMCHQK-UHFFFAOYSA-N	1	0	369.469	1.045	20	30		FDEDRO
CCOC(=O)C1CCN(C(NCC(=O)N2CCc3ccccc32)=[NH+]C)CC1	ZINC000073110864	522470322	/nfs/dbraw/zinc/47/03/22/522470322.db2.gz	PCTRFIUPCMLKJD-UHFFFAOYSA-N	1	0	372.469	1.426	20	30		FDEDRO
C#CCCN1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1	ZINC000073228491	522491874	/nfs/dbraw/zinc/49/18/74/522491874.db2.gz	DVGYNOLXIBIBIT-UHFFFAOYSA-N	1	0	354.498	1.215	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1	ZINC000047675980	522584935	/nfs/dbraw/zinc/58/49/35/522584935.db2.gz	JJEDJJNTLBCRQX-INIZCTEOSA-N	1	0	358.486	1.810	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@]2(CNC(=O)C2)C1)C(C)C	ZINC000073710739	522591785	/nfs/dbraw/zinc/59/17/85/522591785.db2.gz	HITQEHVMZBTOSP-PXNSSMCTSA-N	1	0	362.518	1.997	20	30		FDEDRO
CC[NH+]=C(NCCc1cccs1)N1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000073776346	522604995	/nfs/dbraw/zinc/60/49/95/522604995.db2.gz	JFKYWNOZBMNHSN-MRXNPFEDSA-N	1	0	364.515	1.579	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@@H]2CN2CCOCC2)CC1	ZINC000074130167	522687703	/nfs/dbraw/zinc/68/77/03/522687703.db2.gz	OSIHMHDQKULNSN-LJQANCHMSA-N	1	0	364.534	1.923	20	30		FDEDRO
CN(C)S(=O)(=O)c1cccc(C(=O)N(CCC#N)CCC[NH+](C)C)c1	ZINC000064361843	522706561	/nfs/dbraw/zinc/70/65/61/522706561.db2.gz	FIGCMYIBPFDOOS-UHFFFAOYSA-N	1	0	366.487	1.244	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000050174565	522899952	/nfs/dbraw/zinc/89/99/52/522899952.db2.gz	NVFMEYNJFKBCMQ-QLFBSQMISA-N	1	0	372.469	1.988	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000065978348	522931434	/nfs/dbraw/zinc/93/14/34/522931434.db2.gz	HBZHVWHARBFPGW-UHFFFAOYSA-N	1	0	360.395	1.535	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@H+](CC)CC1CCN(c2ccccn2)CC1	ZINC000076108673	523024804	/nfs/dbraw/zinc/02/48/04/523024804.db2.gz	ROQZUXPJEUUMFQ-UHFFFAOYSA-N	1	0	359.474	1.632	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)nc1	ZINC000052549155	523199318	/nfs/dbraw/zinc/19/93/18/523199318.db2.gz	XSAFZZJNKBQCBY-DLBZAZTESA-N	1	0	354.458	1.412	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](C)C)cc1	ZINC000052658086	523226946	/nfs/dbraw/zinc/22/69/46/523226946.db2.gz	HBXZSTZFOURLML-KRWDZBQOSA-N	1	0	374.485	1.633	20	30		FDEDRO
CN1CC[NH+](CC2CCN(c3c(C#N)nnc4ccccc43)CC2)CC1	ZINC000077193268	523263228	/nfs/dbraw/zinc/26/32/28/523263228.db2.gz	HKHJTDVFQVNXKE-UHFFFAOYSA-N	1	0	350.470	1.965	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1	ZINC000077538286	523378053	/nfs/dbraw/zinc/37/80/53/523378053.db2.gz	JZAFKRUPRDEOAM-HNNXBMFYSA-N	1	0	362.405	1.109	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CCNC(=O)N(C)Cc2ccccc2)CC1	ZINC000067305210	523384742	/nfs/dbraw/zinc/38/47/42/523384742.db2.gz	IHIMIAOFWHADMQ-UHFFFAOYSA-N	1	0	358.486	1.985	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)NC[C@@H](C)N2CC[NH+](CC)CC2)c1	ZINC000067344936	523395818	/nfs/dbraw/zinc/39/58/18/523395818.db2.gz	CASTXYXHPYUNBF-MRXNPFEDSA-N	1	0	374.485	1.332	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC000067397928	523427622	/nfs/dbraw/zinc/42/76/22/523427622.db2.gz	ITTBAWQGVXBRER-LSDHHAIUSA-N	1	0	358.442	1.764	20	30		FDEDRO
CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1ncn(Cc2ccccc2)n1	ZINC000077748797	523446833	/nfs/dbraw/zinc/44/68/33/523446833.db2.gz	FVIAYVILWTVWMW-UHFFFAOYSA-N	1	0	370.457	1.715	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1	ZINC000077823219	523480283	/nfs/dbraw/zinc/48/02/83/523480283.db2.gz	TWMRMPCLQXUCFV-UHFFFAOYSA-N	1	0	358.442	1.766	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCN(c3ncccc3C#N)CC2)C1	ZINC000067685551	523543308	/nfs/dbraw/zinc/54/33/08/523543308.db2.gz	CSHSLRKHYQPWLX-INIZCTEOSA-N	1	0	356.474	1.515	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)CC1	ZINC000080012051	523821712	/nfs/dbraw/zinc/82/17/12/523821712.db2.gz	BPVSAHYGMWDNSS-UHFFFAOYSA-N	1	0	372.513	1.813	20	30		FDEDRO
C[C@@H]1C[C@H](NS(=O)(=O)N(C)CCC#N)CC[N@@H+]1Cc1ccccc1	ZINC000080275605	523862924	/nfs/dbraw/zinc/86/29/24/523862924.db2.gz	RKGOFASNONMMIS-NVXWUHKLSA-N	1	0	350.488	1.719	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccnc2c(C(N)=O)cnn21)C(C)C	ZINC000135626343	524157888	/nfs/dbraw/zinc/15/78/88/524157888.db2.gz	XEENYOYZAJPYBH-MRXNPFEDSA-N	1	0	370.457	1.257	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1	ZINC000121304297	524213659	/nfs/dbraw/zinc/21/36/59/524213659.db2.gz	MTZVSPBOHTYYAP-UHFFFAOYSA-N	1	0	370.497	1.943	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1	ZINC000172605261	524246546	/nfs/dbraw/zinc/24/65/46/524246546.db2.gz	ZBCIREZZBKPNIU-UHFFFAOYSA-N	1	0	372.437	1.992	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)NCCOc1cccc(F)c1	ZINC000121501666	524277288	/nfs/dbraw/zinc/27/72/88/524277288.db2.gz	UADRAWYDLHUZOH-UHFFFAOYSA-N	1	0	374.420	1.062	20	30		FDEDRO
CCC[NH+]1CCC(CNC(=O)N2CCN(c3ncccc3C#N)CC2)CC1	ZINC000157699179	524321188	/nfs/dbraw/zinc/32/11/88/524321188.db2.gz	MICJSBMOPQDYJM-UHFFFAOYSA-N	1	0	370.501	1.907	20	30		FDEDRO
N#CC1CCN(CC(=O)NCc2ccccc2CN2CCCC2=O)CC1	ZINC000141965281	524342375	/nfs/dbraw/zinc/34/23/75/524342375.db2.gz	HGNQXWPRFCRCEA-UHFFFAOYSA-N	1	0	354.454	1.661	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1	ZINC000173271260	524359876	/nfs/dbraw/zinc/35/98/76/524359876.db2.gz	ACLVGSMZIXWDLD-UHFFFAOYSA-N	1	0	366.805	1.953	20	30		FDEDRO
CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccn(CCC#N)n2)C1	ZINC000086460110	524394304	/nfs/dbraw/zinc/39/43/04/524394304.db2.gz	ZKXLHGIDEKVKJU-HNNXBMFYSA-N	1	0	374.489	1.752	20	30		FDEDRO
CN(C)c1nc(N)nc(CON=C(N)c2cccc(C(F)(F)F)c2)n1	ZINC000122045658	524439775	/nfs/dbraw/zinc/43/97/75/524439775.db2.gz	PJGPFNMZXNUWRH-UHFFFAOYSA-N	1	0	355.324	1.376	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cnc1Cl	ZINC000122085952	524446819	/nfs/dbraw/zinc/44/68/19/524446819.db2.gz	ANEKJYRKPBBTFN-UHFFFAOYSA-N	1	0	351.838	1.676	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1c(F)cc(F)cc1F	ZINC000122096681	524449743	/nfs/dbraw/zinc/44/97/43/524449743.db2.gz	HHBKXZHSXBASEE-UHFFFAOYSA-N	1	0	356.348	1.736	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc([S@@](C)=O)cc1	ZINC000122113452	524453983	/nfs/dbraw/zinc/45/39/83/524453983.db2.gz	STKXGSRZABYABU-VWLOTQADSA-N	1	0	364.471	1.056	20	30		FDEDRO
Cc1cccc(S(=O)(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c1C#N	ZINC000122251560	524489343	/nfs/dbraw/zinc/48/93/43/524489343.db2.gz	NDCGECXGKAMXCT-KRWDZBQOSA-N	1	0	364.515	1.417	20	30		FDEDRO
C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)N1CCN(c2ncccn2)CC1	ZINC000112525244	524501044	/nfs/dbraw/zinc/50/10/44/524501044.db2.gz	JPRUEDSDYFYRRF-HOTGVXAUSA-N	1	0	364.453	1.736	20	30		FDEDRO
C[NH2+]CCCc1n[nH]c(NC(=O)c2cc3c(C)nn(C)c3s2)c1C#N	ZINC000089662986	524517500	/nfs/dbraw/zinc/51/75/00/524517500.db2.gz	TXLKONAISXNOHW-UHFFFAOYSA-N	1	0	357.443	1.942	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CCNC(=O)C2CCCCC2)c1C#N	ZINC000089663338	524518090	/nfs/dbraw/zinc/51/80/90/524518090.db2.gz	RTOCQISHNOVFLI-UHFFFAOYSA-N	1	0	360.462	1.458	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H](C)NC(=O)C2CCCC2)c1C#N	ZINC000089676141	524519827	/nfs/dbraw/zinc/51/98/27/524519827.db2.gz	YBMHSYYAWIVAAR-GFCCVEGCSA-N	1	0	360.462	1.457	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1	ZINC000112700719	524539232	/nfs/dbraw/zinc/53/92/32/524539232.db2.gz	VJMWTURYORHTFV-JKSUJKDBSA-N	1	0	350.507	1.869	20	30		FDEDRO
COCc1cccc(CNC(=O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1	ZINC000089943587	524557013	/nfs/dbraw/zinc/55/70/13/524557013.db2.gz	HJJBDYQSFUTOGV-UHFFFAOYSA-N	1	0	370.457	1.191	20	30		FDEDRO
Cc1nn(C)c(N2CCOCC2)c1C[NH2+]CCOc1ccc(C#N)cc1	ZINC000174560263	524629872	/nfs/dbraw/zinc/62/98/72/524629872.db2.gz	ZCRYEXBERZTABO-UHFFFAOYSA-N	1	0	355.442	1.605	20	30		FDEDRO
Cn1ccnc1CN1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000113253450	524649438	/nfs/dbraw/zinc/64/94/38/524649438.db2.gz	MIHUNQHOPCWBSG-UHFFFAOYSA-N	1	0	352.442	1.438	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)n1	ZINC000091221778	524668589	/nfs/dbraw/zinc/66/85/89/524668589.db2.gz	FHZJNNYYPHGXAO-AWEZNQCLSA-N	1	0	358.446	1.407	20	30		FDEDRO
CCC[NH+]1CCC(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1	ZINC000091236951	524674628	/nfs/dbraw/zinc/67/46/28/524674628.db2.gz	ZDHLVMIEJFRNSY-UHFFFAOYSA-N	1	0	374.489	1.686	20	30		FDEDRO
C[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1	ZINC000123093782	524678186	/nfs/dbraw/zinc/67/81/86/524678186.db2.gz	VFHOYLJZNLGZGO-HNNXBMFYSA-N	1	0	358.442	1.908	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C1	ZINC000091250327	524682314	/nfs/dbraw/zinc/68/23/14/524682314.db2.gz	DMNHZIHBDOLCHB-HNNXBMFYSA-N	1	0	374.489	1.758	20	30		FDEDRO
CO[C@]1(C)C[C@@H]([N@H+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1(C)C	ZINC000091588148	524733438	/nfs/dbraw/zinc/73/34/38/524733438.db2.gz	WISQKQYSWKUZFQ-SQGPQFPESA-N	1	0	364.534	1.814	20	30		FDEDRO
CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1	ZINC000123360157	524737380	/nfs/dbraw/zinc/73/73/80/524737380.db2.gz	COSOHDUTXSYMPK-CYBMUJFWSA-N	1	0	366.443	1.819	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(C)nc1)N1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000114086719	524741916	/nfs/dbraw/zinc/74/19/16/524741916.db2.gz	BPWJGMZKECGHOF-QGZVFWFLSA-N	1	0	359.474	1.179	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C(C)C)C2CCOCC2)CC1	ZINC000091622534	524742107	/nfs/dbraw/zinc/74/21/07/524742107.db2.gz	WLXIHNWZYPHHIN-GOSISDBHSA-N	1	0	350.507	1.568	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1	ZINC000123417163	524748240	/nfs/dbraw/zinc/74/82/40/524748240.db2.gz	NOQJXROTULGTHL-JKSUJKDBSA-N	1	0	371.489	1.300	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+]C[C@]3(N4CCOCC4)CCSC3)n2c1	ZINC000123419856	524749409	/nfs/dbraw/zinc/74/94/09/524749409.db2.gz	WPWJQFQLUOXVNI-GOSISDBHSA-N	1	0	357.483	1.503	20	30		FDEDRO
C[C@@H](CNC(=O)/C=C/c1ccc(OCC#N)cc1)C[NH+]1CCN(C)CC1	ZINC000114379816	524780033	/nfs/dbraw/zinc/78/00/33/524780033.db2.gz	STMSGSASIJVYFZ-JZLODUJNSA-N	1	0	356.470	1.602	20	30		FDEDRO
C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@@H]1CN(C)CCO1	ZINC000152388670	524868549	/nfs/dbraw/zinc/86/85/49/524868549.db2.gz	IIMRVSBEAFYKQS-LPHOPBHVSA-N	1	0	373.501	1.351	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccnc(OCC[NH+](C)C)c1	ZINC000123999769	524877820	/nfs/dbraw/zinc/87/78/20/524877820.db2.gz	PQIKZRGEHFFORD-OAHLLOKOSA-N	1	0	368.437	1.977	20	30		FDEDRO
Cc1oc(NC(=O)CN(C)CC(C)(C)C[NH+]2CCOCC2)c(C#N)c1C	ZINC000124109312	524904614	/nfs/dbraw/zinc/90/46/14/524904614.db2.gz	RHTRKHJLAAQRPU-UHFFFAOYSA-N	1	0	362.474	1.997	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)c1ccc(F)cc1	ZINC000124209674	524928403	/nfs/dbraw/zinc/92/84/03/524928403.db2.gz	SUVWIKRINXNQPX-OAHLLOKOSA-N	1	0	372.404	1.293	20	30		FDEDRO
CCN1CC[NH+](CCCCNC(=O)NCCOc2ccc(C#N)cc2)CC1	ZINC000175531258	524972735	/nfs/dbraw/zinc/97/27/35/524972735.db2.gz	RATCUOPECCXOBT-UHFFFAOYSA-N	1	0	373.501	1.654	20	30		FDEDRO
N#Cc1c(NC(=O)CC[NH+](CCO)CCO)sc2c1CCCCC2	ZINC000152744295	524988600	/nfs/dbraw/zinc/98/86/00/524988600.db2.gz	BATNBYSUDPJLGF-UHFFFAOYSA-N	1	0	351.472	1.504	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)CC1	ZINC000175980277	525036458	/nfs/dbraw/zinc/03/64/58/525036458.db2.gz	MGEAGBRQKZSJMK-HNNXBMFYSA-N	1	0	370.453	1.664	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1	ZINC000161246476	525064831	/nfs/dbraw/zinc/06/48/31/525064831.db2.gz	VLZDXHXOLNRZOV-MRXNPFEDSA-N	1	0	358.442	1.884	20	30		FDEDRO
CNC(=O)[C@@H](C)C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC	ZINC000176384359	525113193	/nfs/dbraw/zinc/11/31/93/525113193.db2.gz	WEPPVRGVGYVXMN-GJZGRUSLSA-N	1	0	360.458	1.644	20	30		FDEDRO
CCNC(NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1)=[NH+]CC	ZINC000161486012	525117825	/nfs/dbraw/zinc/11/78/25/525117825.db2.gz	XVJQWTCGDCRYSW-INIZCTEOSA-N	1	0	364.490	1.652	20	30		FDEDRO
Cc1sc(NC(=O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)c(C#N)c1C	ZINC000153256122	525157302	/nfs/dbraw/zinc/15/73/02/525157302.db2.gz	JKELYXYFACCAQI-UHFFFAOYSA-N	1	0	371.470	1.917	20	30		FDEDRO
C[C@@H](C(=O)NCCc1ccccc1)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153321390	525179156	/nfs/dbraw/zinc/17/91/56/525179156.db2.gz	LBKRQCBWGKCEFL-AWEZNQCLSA-N	1	0	354.458	1.475	20	30		FDEDRO
C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153337126	525182357	/nfs/dbraw/zinc/18/23/57/525182357.db2.gz	KMYQYQSNLDRDSG-LLVKDONJSA-N	1	0	371.401	1.663	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CC3)CC1	ZINC000177007160	525220409	/nfs/dbraw/zinc/22/04/09/525220409.db2.gz	PJSQYVPBCNJPLP-UHFFFAOYSA-N	1	0	370.453	1.667	20	30		FDEDRO
CS(=O)(=O)N[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000116889074	525243382	/nfs/dbraw/zinc/24/33/82/525243382.db2.gz	RBSCIVODHWYWSC-CYBMUJFWSA-N	1	0	370.862	1.164	20	30		FDEDRO
CC[NH+]=C(NC[C@H]1CCOc2ccccc21)N[C@H]1CCc2ncnn2C1	ZINC000126044225	525267083	/nfs/dbraw/zinc/26/70/83/525267083.db2.gz	QBAYNEBJKQMLOU-CABCVRRESA-N	1	0	354.458	1.714	20	30		FDEDRO
C#CCCCCNC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C	ZINC000177370062	525282194	/nfs/dbraw/zinc/28/21/94/525282194.db2.gz	OLAZZNCKAJFWBL-UHFFFAOYSA-N	1	0	370.497	1.995	20	30		FDEDRO
C=CC[C@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1	ZINC000117077271	525285018	/nfs/dbraw/zinc/28/50/18/525285018.db2.gz	SLNNGCOROWXOFV-HNNXBMFYSA-N	1	0	372.469	1.484	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1	ZINC000103122376	525326912	/nfs/dbraw/zinc/32/69/12/525326912.db2.gz	JWTZFIWOPIHKSV-UHFFFAOYSA-N	1	0	357.454	1.632	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NCCCNC(=O)c1cccc(Br)c1	ZINC000104184912	525399479	/nfs/dbraw/zinc/39/94/79/525399479.db2.gz	SWMPVSOBAHBGDV-LLVKDONJSA-N	1	0	371.279	1.508	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1	ZINC000154092036	525420741	/nfs/dbraw/zinc/42/07/41/525420741.db2.gz	LDTBKOBMLTUNCG-KRWDZBQOSA-N	1	0	358.486	1.963	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1	ZINC000178537771	525443315	/nfs/dbraw/zinc/44/33/15/525443315.db2.gz	ZTCDVJRBAZUXGS-UHFFFAOYSA-N	1	0	357.458	1.788	20	30		FDEDRO
COc1ccccc1CNC(=[NH2+])NCCCN1c2ccccc2OCC1=O	ZINC000178583263	525447443	/nfs/dbraw/zinc/44/74/43/525447443.db2.gz	NFDAMFSAJSSZTL-UHFFFAOYSA-N	1	0	368.437	1.915	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(N3CCCC3=O)CC2)cc1	ZINC000104968115	525455598	/nfs/dbraw/zinc/45/55/98/525455598.db2.gz	RHARESVNPPQRKZ-SFHVURJKSA-N	1	0	357.454	1.579	20	30		FDEDRO
Cc1cc(=O)[nH]cc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000164826783	525532142	/nfs/dbraw/zinc/53/21/42/525532142.db2.gz	WHKIKMGJNWUHSH-UHFFFAOYSA-N	1	0	350.422	1.903	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Cc2csc(N3CCCC3=O)n2)CC1	ZINC000106038822	525553179	/nfs/dbraw/zinc/55/31/79/525553179.db2.gz	YRPMXAXEOSRDTA-UHFFFAOYSA-N	1	0	362.499	1.969	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CCn2ncc(=O)c3ccccc32)CC1	ZINC000106038277	525554588	/nfs/dbraw/zinc/55/45/88/525554588.db2.gz	AXGULSJXURISFD-UHFFFAOYSA-N	1	0	354.454	1.943	20	30		FDEDRO
CN1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(C#N)c(Cl)c2)CC1	ZINC000154704715	525614237	/nfs/dbraw/zinc/61/42/37/525614237.db2.gz	GBDREAVFXOBHHL-INIZCTEOSA-N	1	0	360.845	1.590	20	30		FDEDRO
Cn1cc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(C)c1=O	ZINC000180334413	525692845	/nfs/dbraw/zinc/69/28/45/525692845.db2.gz	WECHEMAPPFSPMU-UHFFFAOYSA-N	1	0	360.417	1.912	20	30		FDEDRO
CN1CC[N@H+](CCCNC(=O)N2CCO[C@H](C#N)C2)[C@H](c2ccccc2)C1	ZINC000106331838	525694830	/nfs/dbraw/zinc/69/48/30/525694830.db2.gz	IGBHBISLBNUBFL-MOPGFXCFSA-N	1	0	371.485	1.299	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CCO1	ZINC000106331839	525695062	/nfs/dbraw/zinc/69/50/62/525695062.db2.gz	DDWOJXUHOQBBSW-GOSISDBHSA-N	1	0	357.458	1.133	20	30		FDEDRO
Cn1ccnc1[C@H](O)C1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000119446453	525749304	/nfs/dbraw/zinc/74/93/04/525749304.db2.gz	CGEQTDWTJJJKAF-IEBWSBKVSA-N	1	0	370.453	1.477	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCc2cccnc2-n2ccnc2)cc1OC	ZINC000170912445	525766819	/nfs/dbraw/zinc/76/68/19/525766819.db2.gz	FZPAXRXBXQWEAS-UHFFFAOYSA-N	1	0	366.425	1.889	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)CSc3ccc(C#N)cc3)C2)CC1	ZINC000106799341	525786320	/nfs/dbraw/zinc/78/63/20/525786320.db2.gz	FYNUHILRGZKXGP-KRWDZBQOSA-N	1	0	358.511	1.889	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)N1CCSCC1)N[C@H](C)c1ccc(C)o1	ZINC000131095092	525828580	/nfs/dbraw/zinc/82/85/80/525828580.db2.gz	NXHPQWCASGYOSX-CYBMUJFWSA-N	1	0	374.532	1.193	20	30		FDEDRO
C[C@@H]1CCC[C@](CNC(=O)CNC(=O)c2ccc(C#N)cc2)([NH+](C)C)C1	ZINC000171115014	525853591	/nfs/dbraw/zinc/85/35/91/525853591.db2.gz	JJWPDVQLPQCNOR-QRWLVFNGSA-N	1	0	356.470	1.915	20	30		FDEDRO
C[C@H]1CCC[C@@](CNC(=O)CNC(=O)c2ccc(C#N)cc2)([NH+](C)C)C1	ZINC000171115010	525853860	/nfs/dbraw/zinc/85/38/60/525853860.db2.gz	JJWPDVQLPQCNOR-MGPUTAFESA-N	1	0	356.470	1.915	20	30		FDEDRO
C=C(C)COCCNC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1	ZINC000131961219	525924106	/nfs/dbraw/zinc/92/41/06/525924106.db2.gz	REPFPUXKUGWEHT-UHFFFAOYSA-N	1	0	368.522	1.505	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1	ZINC000181772060	525924256	/nfs/dbraw/zinc/92/42/56/525924256.db2.gz	TVTNSBYHDQZXBH-LSDHHAIUSA-N	1	0	356.426	1.613	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCC(=O)NCC1CCCCC1	ZINC000155645476	525930893	/nfs/dbraw/zinc/93/08/93/525930893.db2.gz	RKFVPSZDAJVYKT-INIZCTEOSA-N	1	0	370.501	1.945	20	30		FDEDRO
C[C@H](CC#N)N(C)C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1	ZINC000132097850	525936886	/nfs/dbraw/zinc/93/68/86/525936886.db2.gz	KBZZCBIZRDPODE-OAHLLOKOSA-N	1	0	357.458	1.133	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCc2cccc(C#N)c2)CC1	ZINC000108551110	525986780	/nfs/dbraw/zinc/98/67/80/525986780.db2.gz	FDUFVSHDZVTAHK-LJQANCHMSA-N	1	0	355.486	1.870	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H](CC(N)=O)C3CCOCC3)C2=O)cc1	ZINC000181932624	525987412	/nfs/dbraw/zinc/98/74/12/525987412.db2.gz	SFLIXOUUJGAEJS-MSOLQXFVSA-N	1	0	370.453	1.314	20	30		FDEDRO
N#Cc1ccsc1NC(=O)CC[NH2+][C@@H](CC(N)=O)C1CCOCC1	ZINC000181950083	525993533	/nfs/dbraw/zinc/99/35/33/525993533.db2.gz	IWNIWDUJYAONJU-ZDUSSCGKSA-N	1	0	350.444	1.209	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1	ZINC000155975719	526021972	/nfs/dbraw/zinc/02/19/72/526021972.db2.gz	MIHATZRZATXRJV-YJBOKZPZSA-N	1	0	352.438	1.972	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H](CC(N)=O)C2CCCCC2)c1	ZINC000182024948	526024318	/nfs/dbraw/zinc/02/43/18/526024318.db2.gz	AZYMNGCOZONLFY-QGZVFWFLSA-N	1	0	363.483	1.746	20	30		FDEDRO
C[NH+](C)CCSCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000171607132	526045823	/nfs/dbraw/zinc/04/58/23/526045823.db2.gz	KUIQRYKCBWCDLF-QGZVFWFLSA-N	1	0	364.490	1.829	20	30		FDEDRO
CN1CCN(C(=O)CC2CCN(C(=O)C3(C#N)CCCCC3)CC2)CC1	ZINC000108999774	526053829	/nfs/dbraw/zinc/05/38/29/526053829.db2.gz	FJJRNYKMTIETDZ-UHFFFAOYSA-N	1	0	360.502	1.863	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)n1	ZINC000182142552	526071716	/nfs/dbraw/zinc/07/17/16/526071716.db2.gz	APECNQARWPHDMS-AWEZNQCLSA-N	1	0	360.462	1.655	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC2CCN(C(=O)c3ccco3)CC2)CC1	ZINC000171706860	526086640	/nfs/dbraw/zinc/08/66/40/526086640.db2.gz	QVKDUXSKUXQYGR-UHFFFAOYSA-N	1	0	360.458	1.834	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)CC1	ZINC000171715160	526088970	/nfs/dbraw/zinc/08/89/70/526088970.db2.gz	KMFMQYCCMWZQBT-CYBMUJFWSA-N	1	0	363.380	1.916	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)NCc3ccc(C#N)cc3F)C2)CC1	ZINC000171735834	526101474	/nfs/dbraw/zinc/10/14/74/526101474.db2.gz	VLLURSSIOBSOMH-KRWDZBQOSA-N	1	0	359.449	1.619	20	30		FDEDRO
C=C[C@@H](C)NC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1	ZINC000133902373	526105863	/nfs/dbraw/zinc/10/58/63/526105863.db2.gz	SCVHBJZGUTYSDG-CYBMUJFWSA-N	1	0	358.442	1.013	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c(F)c1	ZINC000171978083	526197264	/nfs/dbraw/zinc/19/72/64/526197264.db2.gz	MCRJRMRUFRXDFE-MRXNPFEDSA-N	1	0	360.433	1.951	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1	ZINC000183040988	535908532	/nfs/dbraw/zinc/90/85/32/535908532.db2.gz	MQWBYXCSXCXRDH-QGZVFWFLSA-N	1	0	358.398	1.854	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)CC(C)(C)O	ZINC000183179202	535936312	/nfs/dbraw/zinc/93/63/12/535936312.db2.gz	YXDFKNKTTXJJKJ-AWEZNQCLSA-N	1	0	350.488	1.160	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1	ZINC000184414776	536148833	/nfs/dbraw/zinc/14/88/33/536148833.db2.gz	JOOARPMKGXQVES-HNNXBMFYSA-N	1	0	362.449	1.985	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2-n2nccc2C)CC1	ZINC000184891498	536189979	/nfs/dbraw/zinc/18/99/79/536189979.db2.gz	QYLBDFUBWJVCLF-UHFFFAOYSA-N	1	0	367.453	1.886	20	30		FDEDRO
CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000185113392	536199024	/nfs/dbraw/zinc/19/90/24/536199024.db2.gz	OVLNJAODBDOJRJ-ZDUSSCGKSA-N	1	0	359.879	1.847	20	30		FDEDRO
CN1CC[NH+](CCC(C)(C)NC(=O)NCCOc2ccc(C#N)cc2)CC1	ZINC000185467383	536209413	/nfs/dbraw/zinc/20/94/13/536209413.db2.gz	CBGXNKDBNHJGLL-UHFFFAOYSA-N	1	0	373.501	1.652	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC	ZINC000186304308	536231660	/nfs/dbraw/zinc/23/16/60/536231660.db2.gz	WUUOMZUMUKQWTA-OAHLLOKOSA-N	1	0	362.474	1.896	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)c1C#N	ZINC000188954521	536976647	/nfs/dbraw/zinc/97/66/47/536976647.db2.gz	FXFXFGBNZMOWOF-UHFFFAOYSA-N	1	0	371.485	1.290	20	30		FDEDRO
COCC[N@H+]1[C@H](C)CN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C	ZINC000246584573	536985420	/nfs/dbraw/zinc/98/54/20/536985420.db2.gz	GFORGUDGCILAQD-FCEWJHQRSA-N	1	0	356.470	1.705	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCN([C@H]3CCN(c4sccc4C#N)C3=O)CC2)CCO1	ZINC000246639602	536994995	/nfs/dbraw/zinc/99/49/95/536994995.db2.gz	ZZQOAAHXYDAYDE-YOEHRIQHSA-N	1	0	374.510	1.910	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@@H](C)C[C@@H](C)C3)CC2)o1	ZINC000246706879	537007927	/nfs/dbraw/zinc/00/79/27/537007927.db2.gz	NFWXZUXFLZCNJJ-HUUCEWRRSA-N	1	0	359.474	1.871	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CCC(=O)Nc1sccc1C#N	ZINC000189449563	537048459	/nfs/dbraw/zinc/04/84/59/537048459.db2.gz	ZUNDQTIYUHPATL-CYBMUJFWSA-N	1	0	350.488	1.725	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc2c(cn1)nc[nH]c2=O)C(C)C	ZINC000189488900	537054930	/nfs/dbraw/zinc/05/49/30/537054930.db2.gz	DZVQAXJWRAVGAH-KRWDZBQOSA-N	1	0	355.442	1.747	20	30		FDEDRO
C[C@@H]1CCCC[C@H]1N(C)C(=O)CN1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000247080465	537079043	/nfs/dbraw/zinc/07/90/43/537079043.db2.gz	JELJHUQBMVKMEV-JFIYKMOQSA-N	1	0	370.501	1.896	20	30		FDEDRO
C=CCc1cc(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)cc(OC)c1OC	ZINC000263760888	537091068	/nfs/dbraw/zinc/09/10/68/537091068.db2.gz	LMFHXHTVVKDGSD-HNNXBMFYSA-N	1	0	361.486	1.798	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)ccc1F	ZINC000189999827	537125162	/nfs/dbraw/zinc/12/51/62/537125162.db2.gz	JNHAKIHUYHIEQQ-UHFFFAOYSA-N	1	0	350.394	1.467	20	30		FDEDRO
CCO[C@@H]1C[C@@](CO)([NH2+]CC(=O)N(C)C2(C#N)CCCCC2)C1(C)C	ZINC000190018800	537127819	/nfs/dbraw/zinc/12/78/19/537127819.db2.gz	VDHBRGAOMWWNDR-BEFAXECRSA-N	1	0	351.491	1.827	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCCn2nc(C)cc2C)CC1	ZINC000264103981	537137247	/nfs/dbraw/zinc/13/72/47/537137247.db2.gz	NFXNIBDCLAVMKB-UHFFFAOYSA-N	1	0	350.467	1.415	20	30		FDEDRO
CC[NH+](CC)CCNC(=O)c1ccc(OS(=O)(=O)CCCC#N)cc1	ZINC000265172331	537151538	/nfs/dbraw/zinc/15/15/38/537151538.db2.gz	BVCQAEAPOLCHBF-UHFFFAOYSA-N	1	0	367.471	1.771	20	30		FDEDRO
CC[C@@H]1CN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1C[C@@H](C)O	ZINC000247815943	537152679	/nfs/dbraw/zinc/15/26/79/537152679.db2.gz	WGLRZHHZLRFHFS-SUMDDJOVSA-N	1	0	356.470	1.441	20	30		FDEDRO
CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1nn(C(C)C)cc1C#N	ZINC000190686472	537182870	/nfs/dbraw/zinc/18/28/70/537182870.db2.gz	CKTYZDNVUAEIBZ-UHFFFAOYSA-N	1	0	360.462	1.609	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1	ZINC000248535449	537190185	/nfs/dbraw/zinc/19/01/85/537190185.db2.gz	KECOMKUPJDMLTL-NVXWUHKLSA-N	1	0	355.438	1.580	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)ccn1	ZINC000248831302	537214892	/nfs/dbraw/zinc/21/48/92/537214892.db2.gz	FGVGKIXEJSFXJF-HKUYNNGSSA-N	1	0	350.422	1.566	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1	ZINC000192143908	537220974	/nfs/dbraw/zinc/22/09/74/537220974.db2.gz	JWCCCHYQIUEJOL-COLVAYQJSA-N	1	0	353.369	1.785	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1	ZINC000192150245	537221133	/nfs/dbraw/zinc/22/11/33/537221133.db2.gz	XFNRLBYBZLFPFM-BBRMVZONSA-N	1	0	364.833	1.213	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2=O)CC1	ZINC000192286891	537223208	/nfs/dbraw/zinc/22/32/08/537223208.db2.gz	LQEGMVIYQVPYHX-IBGZPJMESA-N	1	0	353.466	1.557	20	30		FDEDRO
N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1	ZINC000192614370	537227438	/nfs/dbraw/zinc/22/74/38/537227438.db2.gz	OEVLYEGNXAEXKV-IAGOWNOFSA-N	1	0	363.483	1.879	20	30		FDEDRO
Cc1sc(NC(=O)CN2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c(C#N)c1C	ZINC000249517030	537237205	/nfs/dbraw/zinc/23/72/05/537237205.db2.gz	RTCCQHMULZTOKI-RYUDHWBXSA-N	1	0	350.488	1.562	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC([NH+](C)C)C2)cc1	ZINC000272333507	537265841	/nfs/dbraw/zinc/26/58/41/537265841.db2.gz	LAKVNFYHCRJWOJ-UHFFFAOYSA-N	1	0	352.460	1.271	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H](S(C)(=O)=O)C1	ZINC000282242593	537281979	/nfs/dbraw/zinc/28/19/79/537281979.db2.gz	QAYROHQJKKQJNT-ZFWWWQNUSA-N	1	0	356.513	1.770	20	30		FDEDRO
CCCNC(=O)C[C@@H](C(N)=O)[N@H+](CCC)CCOc1cccc(C#N)c1	ZINC000272764767	537329201	/nfs/dbraw/zinc/32/92/01/537329201.db2.gz	RGQWNTCZBHZJSP-KRWDZBQOSA-N	1	0	360.458	1.419	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1	ZINC000272794066	537342682	/nfs/dbraw/zinc/34/26/82/537342682.db2.gz	CMTDVWALXUTVHQ-UHFFFAOYSA-N	1	0	357.451	1.287	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1	ZINC000282898603	537343459	/nfs/dbraw/zinc/34/34/59/537343459.db2.gz	REEMCHDHGFUDAB-LSDHHAIUSA-N	1	0	350.488	1.359	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000282905484	537344596	/nfs/dbraw/zinc/34/45/96/537344596.db2.gz	RMAFMOYSKOJTPJ-OAHLLOKOSA-N	1	0	363.487	1.258	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)C#Cc1ccc2c(c1)OCO2	ZINC000363875375	537349766	/nfs/dbraw/zinc/34/97/66/537349766.db2.gz	ZBVRIYNJSHLYBL-NXHRZFHOSA-N	1	0	370.449	1.772	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+](C[C@H](C)O)[C@H](C)CO)c(OC)c1	ZINC000276256961	537370366	/nfs/dbraw/zinc/37/03/66/537370366.db2.gz	XHFZFVMLXWODED-HLLBOEOZSA-N	1	0	353.459	1.227	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2nc3ccccc3s2)CC1	ZINC000283503691	537379240	/nfs/dbraw/zinc/37/92/40/537379240.db2.gz	PSHXUIPGLQYXOT-UHFFFAOYSA-N	1	0	358.467	1.679	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1	ZINC000298941457	537381354	/nfs/dbraw/zinc/38/13/54/537381354.db2.gz	JQXNVFIYHRMHKA-HZPDHXFCSA-N	1	0	372.469	1.405	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CC[C@H](COCC)C1)C(C)C	ZINC000283887627	537389595	/nfs/dbraw/zinc/38/95/95/537389595.db2.gz	FDOJJELJGOUYCG-ROUUACIJSA-N	1	0	365.518	1.686	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)NCC(C)(C)CCOC)C(C)C	ZINC000283936634	537393614	/nfs/dbraw/zinc/39/36/14/537393614.db2.gz	HFTYROKENXPNLN-KRWDZBQOSA-N	1	0	367.534	1.980	20	30		FDEDRO
CCc1cccc(CC)c1NC(=[NH2+])NCc1cn([C@@H]2COC[C@H]2OC)nn1	ZINC000290750170	537404379	/nfs/dbraw/zinc/40/43/79/537404379.db2.gz	YCLTVUYUWGRZRU-IAGOWNOFSA-N	1	0	372.473	1.916	20	30		FDEDRO
[NH2+]=C(NCc1nc(-c2cccc(Br)c2)no1)N1CCOCC1	ZINC000280408877	537405968	/nfs/dbraw/zinc/40/59/68/537405968.db2.gz	HBNALVDUQWMWGN-UHFFFAOYSA-N	1	0	366.219	1.646	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)Nc1cc(C#N)ccc1OCCOC	ZINC000273199650	537413934	/nfs/dbraw/zinc/41/39/34/537413934.db2.gz	QIJZPEGHXXLVGM-UHFFFAOYSA-N	1	0	364.446	1.673	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1	ZINC000273216052	537415608	/nfs/dbraw/zinc/41/56/08/537415608.db2.gz	CJUHCLXBVRZQHD-WCQYABFASA-N	1	0	354.451	1.280	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1	ZINC000280551993	537426999	/nfs/dbraw/zinc/42/69/99/537426999.db2.gz	JGUIVPHDWJNGNN-SWLSCSKDSA-N	1	0	356.392	1.586	20	30		FDEDRO
CN(C(=[NH2+])NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CC1	ZINC000273326622	537431402	/nfs/dbraw/zinc/43/14/02/537431402.db2.gz	IAAJMVCKIKZQGG-UHFFFAOYSA-N	1	0	350.488	1.770	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC(NC(=O)c3ccoc3)CC2)CC1	ZINC000365186471	537448184	/nfs/dbraw/zinc/44/81/84/537448184.db2.gz	JQQSDFUTUMWYKN-UHFFFAOYSA-N	1	0	360.458	1.834	20	30		FDEDRO
CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000290894769	537456208	/nfs/dbraw/zinc/45/62/08/537456208.db2.gz	GLEGLDHQUQDQSA-KGLIPLIRSA-N	1	0	366.487	1.070	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1	ZINC000299147230	537457283	/nfs/dbraw/zinc/45/72/83/537457283.db2.gz	KWOYVYRCXWWPHQ-UHFFFAOYSA-N	1	0	355.482	1.827	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F	ZINC000293433481	537457539	/nfs/dbraw/zinc/45/75/39/537457539.db2.gz	RAWOGOLYNVHAFQ-UHFFFAOYSA-N	1	0	350.350	1.052	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H](N2CCN(c3nccnc3C#N)CC2)C1	ZINC000288302717	537475328	/nfs/dbraw/zinc/47/53/28/537475328.db2.gz	SRWRFOLOCHYKQF-AWEZNQCLSA-N	1	0	358.446	1.480	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCCc2cn3c(n2)SCC3)cc1OC	ZINC000274323851	537523540	/nfs/dbraw/zinc/52/35/40/537523540.db2.gz	JEAVOLWQICKZAA-UHFFFAOYSA-N	1	0	361.471	1.653	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCCc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000272074557	537524317	/nfs/dbraw/zinc/52/43/17/537524317.db2.gz	DEOWJXMXSZGAPT-UHFFFAOYSA-N	1	0	369.853	1.417	20	30		FDEDRO
CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)NCCCCC#N)cc1	ZINC000284772041	537524857	/nfs/dbraw/zinc/52/48/57/537524857.db2.gz	DXNIXTAXYKRHCP-UHFFFAOYSA-N	1	0	374.485	1.833	20	30		FDEDRO
CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C1CC[NH+](C)CC1	ZINC000299292857	537541017	/nfs/dbraw/zinc/54/10/17/537541017.db2.gz	HFHLQEKTOHTHCL-UHFFFAOYSA-N	1	0	364.471	1.045	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)CCn2cc(Br)cn2)CC1	ZINC000289121815	537556102	/nfs/dbraw/zinc/55/61/02/537556102.db2.gz	KPEMNTCFFWXKJV-UHFFFAOYSA-N	1	0	353.264	1.449	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1cc(OC)c(OC)cc1Cl	ZINC000293708586	537568319	/nfs/dbraw/zinc/56/83/19/537568319.db2.gz	DNUSOCFLIKRVIU-UHFFFAOYSA-N	1	0	360.863	1.591	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1)C(C)C	ZINC000281676819	537576840	/nfs/dbraw/zinc/57/68/40/537576840.db2.gz	ZVHABWJPMJSOOE-LJQANCHMSA-N	1	0	370.497	1.930	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1	ZINC000299433187	537577866	/nfs/dbraw/zinc/57/78/66/537577866.db2.gz	BGOBPODPZLGLJF-ZIAGYGMSSA-N	1	0	358.442	1.742	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H](CN(C)S(=O)(=O)CCCC#N)[C@@H]1c1cnn(C)c1	ZINC000365794397	537587106	/nfs/dbraw/zinc/58/71/06/537587106.db2.gz	IMYJRRVUTRVBBK-DOTOQJQBSA-N	1	0	367.519	1.758	20	30		FDEDRO
C[C@@H]1CN(C(=O)COc2ccccc2C#N)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000361202505	537591684	/nfs/dbraw/zinc/59/16/84/537591684.db2.gz	QTVHUUSDIVTNBL-SJLPKXTDSA-N	1	0	356.470	1.421	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1	ZINC000236618758	537593295	/nfs/dbraw/zinc/59/32/95/537593295.db2.gz	VPVXRXAVMQUJRJ-MRXNPFEDSA-N	1	0	353.488	1.596	20	30		FDEDRO
CS(=O)(=O)N1CCC([NH2+]Cc2cccc(OCCCC#N)c2)CC1	ZINC000237368532	537625312	/nfs/dbraw/zinc/62/53/12/537625312.db2.gz	BGDVTGOJXKIAQP-UHFFFAOYSA-N	1	0	351.472	1.883	20	30		FDEDRO
CNC(=O)CN1CCC(NC(=O)N2CCCC23CC[NH+](C)CC3)CC1	ZINC000329028955	537634175	/nfs/dbraw/zinc/63/41/75/537634175.db2.gz	ALBVMYYAMFBZJX-UHFFFAOYSA-N	1	0	351.495	1.511	20	30		FDEDRO
Cc1cnn([C@@H]2CCN(C([O-])=[NH+]C3CC[NH+](C[C@H]4CCOC4)CC3)C2)c1	ZINC000329598052	537639052	/nfs/dbraw/zinc/63/90/52/537639052.db2.gz	JGUQVTMLPXZWKO-SJLPKXTDSA-N	1	0	361.490	1.853	20	30		FDEDRO
CN(CC(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCS(=O)(=O)C1	ZINC000329915170	537645140	/nfs/dbraw/zinc/64/51/40/537645140.db2.gz	CXERJPVQNIKTME-KRWDZBQOSA-N	1	0	371.547	1.859	20	30		FDEDRO
Cc1c(NC(=O)N(C)C)cccc1NC(=O)N1C[C@H]2OCCN(C)[C@@H]2C1	ZINC000329922743	537646619	/nfs/dbraw/zinc/64/66/19/537646619.db2.gz	UBLBPLVJYXHLCX-HZPDHXFCSA-N	1	0	361.446	1.662	20	30		FDEDRO
Cc1noc([C@H]2C[C@@H](O)CN2C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)n1	ZINC000329923339	537646986	/nfs/dbraw/zinc/64/69/86/537646986.db2.gz	GXDMHNFUFYNADJ-NWANDNLSSA-N	1	0	365.478	1.910	20	30		FDEDRO
Cc1nc2n(n1)C[C@@H](NC(=O)c1c(C)nn(C)c1-n1ccnc1C)CC2	ZINC000330008576	537649162	/nfs/dbraw/zinc/64/91/62/537649162.db2.gz	FNYKJOVIYDNJCZ-ZDUSSCGKSA-N	1	0	354.418	1.442	20	30		FDEDRO
CC(C)N1C[C@H](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1=O	ZINC000330225225	537651837	/nfs/dbraw/zinc/65/18/37/537651837.db2.gz	BABXFSBVFCYQBN-OAHLLOKOSA-N	1	0	368.547	1.861	20	30		FDEDRO
C[C@H]1COCCN1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1	ZINC000331193791	537665363	/nfs/dbraw/zinc/66/53/63/537665363.db2.gz	SCYFKMNLDRKTBZ-AWEZNQCLSA-N	1	0	354.495	1.248	20	30		FDEDRO
C=C[C@@H](CO)NC(=O)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1	ZINC000290113230	537672912	/nfs/dbraw/zinc/67/29/12/537672912.db2.gz	RLXOBQBWFDXYRC-KRWDZBQOSA-N	1	0	359.470	1.563	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(Br)n2)CC1	ZINC000285309053	537681141	/nfs/dbraw/zinc/68/11/41/537681141.db2.gz	QVGVSNZKQNLWML-UHFFFAOYSA-N	1	0	367.247	1.549	20	30		FDEDRO
CN1CCCN(S(=O)(=O)c2cccc(NC(=O)CCCC#N)c2)CC1	ZINC000291826936	537681341	/nfs/dbraw/zinc/68/13/41/537681341.db2.gz	DJHSAGBOTRGQLF-UHFFFAOYSA-N	1	0	364.471	1.645	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000292061995	537704522	/nfs/dbraw/zinc/70/45/22/537704522.db2.gz	BZXJJMKCXVSGBN-HKUYNNGSSA-N	1	0	364.405	1.718	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cnn(CC(F)F)c3)C2=O)cc1	ZINC000292652600	537752146	/nfs/dbraw/zinc/75/21/46/537752146.db2.gz	LCWFIASHJFOVSG-INIZCTEOSA-N	1	0	359.380	1.911	20	30		FDEDRO
COCCNC(=O)C1([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1	ZINC000414195843	537770754	/nfs/dbraw/zinc/77/07/54/537770754.db2.gz	ZHBXYMDSIHQZFK-UHFFFAOYSA-N	1	0	356.470	1.407	20	30		FDEDRO
C[C@H]1C[C@@H](NS(=O)(=O)c2cccnc2C#N)CN1Cc1ccccc1	ZINC000398090022	537792055	/nfs/dbraw/zinc/79/20/55/537792055.db2.gz	NVYOWFHBLKYPSY-GOEBONIOSA-N	1	0	356.451	1.895	20	30		FDEDRO
COC(=O)[C@H]1CC[C@@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000376129330	537842850	/nfs/dbraw/zinc/84/28/50/537842850.db2.gz	SFIGZCMOBAAKDK-IRXDYDNUSA-N	1	0	355.438	1.860	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(C#N)(c2ccccn2)CC1	ZINC000376508000	537849690	/nfs/dbraw/zinc/84/96/90/537849690.db2.gz	YMMBLAYGRVXBQH-QGZVFWFLSA-N	1	0	371.485	1.759	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1	ZINC000410162562	537881069	/nfs/dbraw/zinc/88/10/69/537881069.db2.gz	JXHGFWOGVRFYTA-GOSISDBHSA-N	1	0	364.515	1.621	20	30		FDEDRO
COC(=O)[C@@H]1CN(Cc2cc(C#N)ccc2Br)CC[N@H+](C)C1	ZINC000411918215	537903198	/nfs/dbraw/zinc/90/31/98/537903198.db2.gz	OLARXOJEGGKHTN-AWEZNQCLSA-N	1	0	366.259	1.857	20	30		FDEDRO
COCCn1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nn1	ZINC000414910503	537935937	/nfs/dbraw/zinc/93/59/37/537935937.db2.gz	VSHVVDAKDBYHFM-UHFFFAOYSA-N	1	0	356.430	1.000	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c(F)c1	ZINC000367630376	537966782	/nfs/dbraw/zinc/96/67/82/537966782.db2.gz	FDCQFVKVZAWLCX-GRDNDAEWSA-N	1	0	373.403	1.827	20	30		FDEDRO
C=CCN(C(=O)NCC(=O)NCC1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000368388432	537978329	/nfs/dbraw/zinc/97/83/29/537978329.db2.gz	BNKVYZMDCSIVPD-IBGZPJMESA-N	1	0	370.497	1.985	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1	ZINC000368980228	537995314	/nfs/dbraw/zinc/99/53/14/537995314.db2.gz	CUEAVWBRDYGAMZ-MSOLQXFVSA-N	1	0	358.442	1.330	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000369216754	538004072	/nfs/dbraw/zinc/00/40/72/538004072.db2.gz	XFYJVKNXVHFGDL-OAGGEKHMSA-N	1	0	372.535	1.286	20	30		FDEDRO
CCc1nc(CN2CCC[C@@H]([N@H+](C)[C@H](C)C(=O)N(C)CCC#N)C2)no1	ZINC000369246867	538006793	/nfs/dbraw/zinc/00/67/93/538006793.db2.gz	ZSAFHCJCKDSDLF-HUUCEWRRSA-N	1	0	362.478	1.289	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)ccc1OC(F)(F)F	ZINC000415358052	538023592	/nfs/dbraw/zinc/02/35/92/538023592.db2.gz	SWZLFQQRERAEEF-SECBINFHSA-N	1	0	356.304	1.203	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](Cc2nnc3ccccn32)C1	ZINC000372804424	538034109	/nfs/dbraw/zinc/03/41/09/538034109.db2.gz	MGAHPJHLPWGSTO-CVEARBPZSA-N	1	0	354.458	1.744	20	30		FDEDRO
CC[NH+]1CCN(CC(C)(C)NC(=O)c2c(F)cc(C#N)cc2F)CC1	ZINC000411073189	538044463	/nfs/dbraw/zinc/04/44/63/538044463.db2.gz	KMIZHQDHQTZLCJ-UHFFFAOYSA-N	1	0	350.413	1.982	20	30		FDEDRO
CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc(C#N)c1Br	ZINC000419699335	538091123	/nfs/dbraw/zinc/09/11/23/538091123.db2.gz	QTTDDUPLVFIDRW-UHFFFAOYSA-N	1	0	367.247	1.716	20	30		FDEDRO
CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]Cc2cnc3ccc(C#N)cn23)C1=O	ZINC000371087494	538098847	/nfs/dbraw/zinc/09/88/47/538098847.db2.gz	BIEHSSLXATVAGN-FZKQIMNGSA-N	1	0	352.398	1.016	20	30		FDEDRO
CC[NH+](CC)CC[C@H](CO)Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1	ZINC000439118997	538155864	/nfs/dbraw/zinc/15/58/64/538155864.db2.gz	MGCVDNKWEVLLAC-CQSZACIVSA-N	1	0	357.414	2.519	20	30		FDEDRO
C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000419997985	538181201	/nfs/dbraw/zinc/18/12/01/538181201.db2.gz	MFRYOFIEMVZVOV-HNAYVOBHSA-N	1	0	362.449	1.343	20	30		FDEDRO
COC(=O)[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccc(Br)cc1	ZINC000424112574	538237563	/nfs/dbraw/zinc/23/75/63/538237563.db2.gz	KMPHZGSXAJJRLK-QWHCGFSZSA-N	1	0	368.231	1.801	20	30		FDEDRO
CNC(=O)CN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]([NH3+])CCCC#N	ZINC000424116092	538239035	/nfs/dbraw/zinc/23/90/35/538239035.db2.gz	BHKAXDWZKWSNNG-CQSZACIVSA-N	1	0	370.375	1.801	20	30		FDEDRO
Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1	ZINC000424123241	538241761	/nfs/dbraw/zinc/24/17/61/538241761.db2.gz	KPBFHOQTEBBQSP-IRXDYDNUSA-N	1	0	372.469	1.454	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)NCCC3=CC[NH2+]CC3)CC2)cc1	ZINC000420161926	538242709	/nfs/dbraw/zinc/24/27/09/538242709.db2.gz	HKGSIMWLSYLLLC-UHFFFAOYSA-N	1	0	364.449	1.600	20	30		FDEDRO
C[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)C(=O)Nc1cccc(N2CCCC2)c1	ZINC000424156761	538247133	/nfs/dbraw/zinc/24/71/33/538247133.db2.gz	OTOYERLOJDPSCB-RHSMWYFYSA-N	1	0	357.458	1.751	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)C[C@H]1[NH+]1CCCC1	ZINC000445743296	538253455	/nfs/dbraw/zinc/25/34/55/538253455.db2.gz	QQMGFWFXYLBXAR-HUUCEWRRSA-N	1	0	357.545	1.912	20	30		FDEDRO
C=CCN(Cc1ccccc1F)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1	ZINC000420201550	538254492	/nfs/dbraw/zinc/25/44/92/538254492.db2.gz	FLTDTWXCNQAPNB-HYVNUMGLSA-N	1	0	359.445	1.845	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1	ZINC000420201447	538254570	/nfs/dbraw/zinc/25/45/70/538254570.db2.gz	FHQHNBAYZWDLNT-KZNAEPCWSA-N	1	0	371.481	1.714	20	30		FDEDRO
CC[C@@H]1CN(CCNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CCO1	ZINC000428066457	538266929	/nfs/dbraw/zinc/26/69/29/538266929.db2.gz	KBKKGTYFSISNJT-QGZVFWFLSA-N	1	0	368.441	1.167	20	30		FDEDRO
C[NH+](C)CCOc1cnccc1CNS(=O)(=O)CC(C)(C)CC#N	ZINC000451555397	538277317	/nfs/dbraw/zinc/27/73/17/538277317.db2.gz	IORBLOIRLTWBPN-UHFFFAOYSA-N	1	0	354.476	1.381	20	30		FDEDRO
COc1ccc([C@H]2CC[NH2+]C[C@H]2NS(=O)(=O)c2cccc(C#N)c2)cc1	ZINC000440867159	538289130	/nfs/dbraw/zinc/28/91/30/538289130.db2.gz	RVFTXYUEFFFYLL-RTBURBONSA-N	1	0	371.462	1.991	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC[NH2+]C2)cc1Br	ZINC000420426917	538293033	/nfs/dbraw/zinc/29/30/33/538293033.db2.gz	WUMHQVUOPDRVGF-JTQLQIEISA-N	1	0	358.261	1.599	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CC[NH2+]CC2(C)C)c1	ZINC000420470634	538301894	/nfs/dbraw/zinc/30/18/94/538301894.db2.gz	XKXYVBZAHILXJP-HNNXBMFYSA-N	1	0	351.472	1.269	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CN2CCc3cc(OC)c(OC)cc3C2)CC1	ZINC000441378565	538325117	/nfs/dbraw/zinc/32/51/17/538325117.db2.gz	CKWBRNFQQQELCL-UHFFFAOYSA-N	1	0	373.497	1.829	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc(C#N)cc1	ZINC000424535330	538325202	/nfs/dbraw/zinc/32/52/02/538325202.db2.gz	ABZSYYKPLHXWSJ-LSDHHAIUSA-N	1	0	354.454	1.726	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)nn1	ZINC000424650240	538338270	/nfs/dbraw/zinc/33/82/70/538338270.db2.gz	UGPCWVDNYSSOOM-HZPDHXFCSA-N	1	0	361.490	1.816	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1	ZINC000447245898	538361071	/nfs/dbraw/zinc/36/10/71/538361071.db2.gz	GRYYRIKSNAYXBN-XIRDDKMYSA-N	1	0	363.483	1.350	20	30		FDEDRO
C[C@H]1CN(C(=O)NCCn2cnc(C#N)n2)CC[N@H+](Cc2ccccc2)C1	ZINC000454938577	538644375	/nfs/dbraw/zinc/64/43/75/538644375.db2.gz	GFAFNVLOUWIWNC-MRXNPFEDSA-N	1	0	367.457	1.313	20	30		FDEDRO
N#Cc1ccc(Cl)c(C(=O)NCCCC[NH+]2CCN(CCO)CC2)c1	ZINC000560609325	545556204	/nfs/dbraw/zinc/55/62/04/545556204.db2.gz	GBCQFJVGHPQYDE-UHFFFAOYSA-N	1	0	364.877	1.332	20	30		FDEDRO
C[C@@H]1CN(C(=O)CNc2cccc(C#N)c2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000497479281	538762343	/nfs/dbraw/zinc/76/23/43/538762343.db2.gz	ZGCDFAOHEZDMNW-VQIMIIECSA-N	1	0	355.486	1.455	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1	ZINC000481034425	538870490	/nfs/dbraw/zinc/87/04/90/538870490.db2.gz	HNKCTBFKXIEEMT-ZACQAIPSSA-N	1	0	365.518	1.711	20	30		FDEDRO
Cc1cc(C(=O)NCCN2CCOCC2(C)C)nn1-c1cccc(C#N)c1	ZINC000506195764	538870724	/nfs/dbraw/zinc/87/07/24/538870724.db2.gz	VDBQNCFILOWQLS-UHFFFAOYSA-N	1	0	367.453	1.893	20	30		FDEDRO
Cc1cc(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)nn1-c1cccc(C#N)c1	ZINC000506474586	538874123	/nfs/dbraw/zinc/87/41/23/538874123.db2.gz	NQGIICCLNIHQIF-INIZCTEOSA-N	1	0	366.469	1.418	20	30		FDEDRO
C[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)N1CC[NH+](C)CC1	ZINC000506475163	538874511	/nfs/dbraw/zinc/87/45/11/538874511.db2.gz	STHXIHHGNLFFTL-RDTXWAMCSA-N	1	0	352.479	1.000	20	30		FDEDRO
C[C@H](CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C[NH+](C)C	ZINC000561094512	545682343	/nfs/dbraw/zinc/68/23/43/545682343.db2.gz	HAVNUGGDLBLRQZ-CQSZACIVSA-N	1	0	351.472	1.692	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(Cc2ccccc2)C[C@@H](C)O)CC1	ZINC000561415355	545839454	/nfs/dbraw/zinc/83/94/54/545839454.db2.gz	RXMXVVWBUJVJPY-MRXNPFEDSA-N	1	0	359.470	1.163	20	30		FDEDRO
C[NH+](C)CCn1c2cc(NC(=O)c3cnccc3C#N)ccc2oc1=O	ZINC000561573125	545900513	/nfs/dbraw/zinc/90/05/13/545900513.db2.gz	YAFABOVBSQSCAW-UHFFFAOYSA-N	1	0	351.366	1.675	20	30		FDEDRO
CC1(C)OCC[C@@H]1[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000562543245	546172611	/nfs/dbraw/zinc/17/26/11/546172611.db2.gz	YBRAGYDUOUJEND-ZBFHGGJFSA-N	1	0	362.499	1.614	20	30		FDEDRO
Cc1cc(C#N)ccc1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1	ZINC000562714458	546238388	/nfs/dbraw/zinc/23/83/88/546238388.db2.gz	LPHPCKLWVRRXRR-UHFFFAOYSA-N	1	0	356.470	1.393	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)CC[N@@H+]1C	ZINC000562880809	546303382	/nfs/dbraw/zinc/30/33/82/546303382.db2.gz	RRWVBZAAHVLMHK-HOTGVXAUSA-N	1	0	369.469	1.064	20	30		FDEDRO
C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)NCC2(C#N)CC2)CC1	ZINC000562926057	546313730	/nfs/dbraw/zinc/31/37/30/546313730.db2.gz	ZXIOUVFWJRQVAA-UHFFFAOYSA-N	1	0	363.506	1.416	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]CC1CCN(C(=O)c2ccccc2)CC1	ZINC000562997090	546347808	/nfs/dbraw/zinc/34/78/08/546347808.db2.gz	VECIWMXRXAJWKA-LJQANCHMSA-N	1	0	358.486	1.335	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC(CCC#N)CC1	ZINC000563036246	546365340	/nfs/dbraw/zinc/36/53/40/546365340.db2.gz	KOVFVQXETBTYFI-KRWDZBQOSA-N	1	0	363.506	1.654	20	30		FDEDRO
N#Cc1cnn2cc(C[N@H+]3CC[C@H](C(=O)NCC(F)(F)F)C3)cnc12	ZINC000563150810	546426610	/nfs/dbraw/zinc/42/66/10/546426610.db2.gz	RLGUGBZQQWLCSA-NSHDSACASA-N	1	0	352.320	1.101	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc1	ZINC000563155599	546429195	/nfs/dbraw/zinc/42/91/95/546429195.db2.gz	YCPCMGINYSPEIP-QGZVFWFLSA-N	1	0	370.453	1.308	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@]1(c2ccccc2)CCC(=O)NC1	ZINC000563374608	546505693	/nfs/dbraw/zinc/50/56/93/546505693.db2.gz	PNPAAGNNUOMHIF-HXUWFJFHSA-N	1	0	356.470	1.528	20	30		FDEDRO
C[NH2+]CCCC(=O)N1CCC(NC(=O)Nc2cc(C#N)ccc2OC)CC1	ZINC000563448713	546541242	/nfs/dbraw/zinc/54/12/42/546541242.db2.gz	LWNRIGPSMZKFCY-UHFFFAOYSA-N	1	0	373.457	1.679	20	30		FDEDRO
Cc1ccc2nc(CNC(=O)N(C)CCCc3[nH]nc(N)c3C#N)cn2c1	ZINC000563939775	546743277	/nfs/dbraw/zinc/74/32/77/546743277.db2.gz	FMKPTJRECAXRKI-UHFFFAOYSA-N	1	0	366.429	1.594	20	30		FDEDRO
CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000564421443	546909968	/nfs/dbraw/zinc/90/99/68/546909968.db2.gz	FIYHOYSUNWUING-SJLPKXTDSA-N	1	0	369.469	1.789	20	30		FDEDRO
CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@H](O)COc3ccc(CC#N)cc3)[C@H]2C1	ZINC000565272906	547283674	/nfs/dbraw/zinc/28/36/74/547283674.db2.gz	XITIKHFQMAWJQN-QIJZPMMNSA-N	1	0	371.481	1.729	20	30		FDEDRO
CC[N@H+](C)C[C@H](O)CN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1	ZINC000565665997	547437646	/nfs/dbraw/zinc/43/76/46/547437646.db2.gz	NTSLPLVFFXZVAJ-ROUUACIJSA-N	1	0	350.894	1.835	20	30		FDEDRO
C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000565756232	547467149	/nfs/dbraw/zinc/46/71/49/547467149.db2.gz	QNCMIBLMTDDRFP-KRWDZBQOSA-N	1	0	370.501	1.905	20	30		FDEDRO
N#Cc1c(CN2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)cn2ccccc12	ZINC000565991913	547558425	/nfs/dbraw/zinc/55/84/25/547558425.db2.gz	XWJUKMJWUCEBGT-KRWDZBQOSA-N	1	0	351.454	1.597	20	30		FDEDRO
C[C@H](COCC(F)(F)F)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1	ZINC000566109676	547607747	/nfs/dbraw/zinc/60/77/47/547607747.db2.gz	RLAMSFJOQQPHEH-LLVKDONJSA-N	1	0	350.362	1.889	20	30		FDEDRO
N#Cc1cnn2c1NC[C@@H](C[N@@H+]1CCC[C@H](c3noc(C4CC4)n3)C1)C2	ZINC000566245862	547681522	/nfs/dbraw/zinc/68/15/22/547681522.db2.gz	WSHXAENCIULAFH-JSGCOSHPSA-N	1	0	353.430	1.936	20	30		FDEDRO
C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NCc3ccc(CC#N)cc3)C2)CC1	ZINC000566738123	547869082	/nfs/dbraw/zinc/86/90/82/547869082.db2.gz	MSACFFUJFCBSDQ-LJQANCHMSA-N	1	0	368.481	1.559	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H](O)COc2ccc(F)cc2)cc1	ZINC000566933845	547936689	/nfs/dbraw/zinc/93/66/89/547936689.db2.gz	VMOGRFREUUWAOU-SJORKVTESA-N	1	0	360.385	1.467	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]CCOc1ccc(Br)cc1	ZINC000567681573	548209515	/nfs/dbraw/zinc/20/95/15/548209515.db2.gz	VYPQKERFHGWDTO-AWEZNQCLSA-N	1	0	356.264	1.624	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1	ZINC000567765057	548248211	/nfs/dbraw/zinc/24/82/11/548248211.db2.gz	GYYQZVGHCBSBCJ-MRXNPFEDSA-N	1	0	370.457	1.100	20	30		FDEDRO
N#Cc1cc(CN2CCOCC2)cn(CC#Cc2ccc(F)cc2)c1=O	ZINC000568270292	548469353	/nfs/dbraw/zinc/46/93/53/548469353.db2.gz	AIIURXITKBSGOV-UHFFFAOYSA-N	1	0	351.381	1.743	20	30		FDEDRO
N#CCCN(CCN1CCOCC1)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000568529028	548575537	/nfs/dbraw/zinc/57/55/37/548575537.db2.gz	IWAXRHLAJXCGDD-HXUWFJFHSA-N	1	0	370.497	1.583	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)Cc1ccc(CC#N)cc1	ZINC000568623655	548612377	/nfs/dbraw/zinc/61/23/77/548612377.db2.gz	SKLZBBKDRPZVSX-QGZVFWFLSA-N	1	0	351.472	1.283	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccc(Cl)c(C#N)c3)CC2)C1=O	ZINC000568743636	548660487	/nfs/dbraw/zinc/66/04/87/548660487.db2.gz	SCLQNZNAUUCZOF-INIZCTEOSA-N	1	0	360.845	1.637	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCN(c3cnccc3C#N)CC2)C1	ZINC000569064618	548782026	/nfs/dbraw/zinc/78/20/26/548782026.db2.gz	DLCIDKCCEUYMAQ-KRWDZBQOSA-N	1	0	370.501	1.763	20	30		FDEDRO
CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000569164613	548819292	/nfs/dbraw/zinc/81/92/92/548819292.db2.gz	ASUDUHAKZAHOLJ-HOTGVXAUSA-N	1	0	373.505	1.689	20	30		FDEDRO
Cc1[nH]c(C#N)cc1C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000569187956	548826266	/nfs/dbraw/zinc/82/62/66/548826266.db2.gz	KZPSBUKUNOAOSI-LJQANCHMSA-N	1	0	351.454	1.913	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)NCC[C@@H]3CCC[N@H+](C)C3)CC2)c1C#N	ZINC000569325296	548874358	/nfs/dbraw/zinc/87/43/58/548874358.db2.gz	KAGAULAWZAPZBA-INIZCTEOSA-N	1	0	373.505	1.164	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)c(F)c1	ZINC000569579148	548968881	/nfs/dbraw/zinc/96/88/81/548968881.db2.gz	UNXRWHLLEWZQRP-HNNXBMFYSA-N	1	0	362.405	1.239	20	30		FDEDRO
N#Cc1ccc(CN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c([N+](=O)[O-])c1	ZINC000569582455	548971038	/nfs/dbraw/zinc/97/10/38/548971038.db2.gz	UTXBQZSMJNJMDK-MRXNPFEDSA-N	1	0	357.414	1.253	20	30		FDEDRO
COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1	ZINC000569694571	549015268	/nfs/dbraw/zinc/01/52/68/549015268.db2.gz	ZTKHGJVAVRZRGN-SJORKVTESA-N	1	0	369.425	1.391	20	30		FDEDRO
Cn1cc(CN2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)cn1	ZINC000570118463	549165402	/nfs/dbraw/zinc/16/54/02/549165402.db2.gz	FFIBXTGSKXOUFZ-UHFFFAOYSA-N	1	0	352.442	1.438	20	30		FDEDRO
C=CCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1	ZINC000570130327	549168202	/nfs/dbraw/zinc/16/82/02/549168202.db2.gz	OJPWPUMHNCJVFN-SJORKVTESA-N	1	0	360.506	1.184	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)N[C@H]1CCN(CC)[C@@H]1c1cc(F)c(F)c(F)c1	ZINC000570194096	549191992	/nfs/dbraw/zinc/19/19/92/549191992.db2.gz	RUZVYWIFUPTZFW-GOEBONIOSA-N	1	0	369.387	2.000	20	30		FDEDRO
COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCn1cnc(C#N)n1	ZINC000570453707	549285343	/nfs/dbraw/zinc/28/53/43/549285343.db2.gz	ACVRWQINWGPPKA-LLVKDONJSA-N	1	0	362.821	1.819	20	30		FDEDRO
N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1	ZINC000570464089	549289756	/nfs/dbraw/zinc/28/97/56/549289756.db2.gz	LAHBWUYMXFOALK-ZWNOBZJWSA-N	1	0	359.792	1.647	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1	ZINC000570541967	549318120	/nfs/dbraw/zinc/31/81/20/549318120.db2.gz	JBJCXUDSWUPIDL-HOTGVXAUSA-N	1	0	351.491	1.322	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2)CC1	ZINC000570562202	549325382	/nfs/dbraw/zinc/32/53/82/549325382.db2.gz	SAJWDGCEIGLWPR-NLWGTHIKSA-N	1	0	363.550	1.530	20	30		FDEDRO
C=CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000570731684	549391587	/nfs/dbraw/zinc/39/15/87/549391587.db2.gz	ZOCMWZLYXXXKIT-SJORKVTESA-N	1	0	361.490	1.517	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1	ZINC000570792558	549412800	/nfs/dbraw/zinc/41/28/00/549412800.db2.gz	LVAQJYKHPJJFQC-MOPGFXCFSA-N	1	0	355.482	1.987	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1	ZINC000570803090	549418172	/nfs/dbraw/zinc/41/81/72/549418172.db2.gz	DXRHNXINEHGOQW-RTBURBONSA-N	1	0	361.486	1.313	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1	ZINC000570815802	549422920	/nfs/dbraw/zinc/42/29/20/549422920.db2.gz	BHNOQLKBORODOB-MSOLQXFVSA-N	1	0	363.483	1.606	20	30		FDEDRO
N#Cc1cnc(CN2CCN(Cc3cnn(-c4ccccc4)c3)CC2)nc1	ZINC000570817484	549424109	/nfs/dbraw/zinc/42/41/09/549424109.db2.gz	ZPAPXSZKMMMIIB-UHFFFAOYSA-N	1	0	359.437	1.852	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCOCC2(CC2)C1)C(C)C	ZINC000570872177	549443138	/nfs/dbraw/zinc/44/31/38/549443138.db2.gz	WYZYRPOPNXLKHI-KRWDZBQOSA-N	1	0	363.502	1.440	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCN(c3ccccc3F)C2=O)cc1	ZINC000570921209	549460409	/nfs/dbraw/zinc/46/04/09/549460409.db2.gz	QDYHVKPNJANNHE-CRAIPNDOSA-N	1	0	369.396	1.832	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)NCc3ccc(CC#N)cc3)C2)CC1	ZINC000571437603	549645352	/nfs/dbraw/zinc/64/53/52/549645352.db2.gz	YKLCZPFCFUDOTJ-IBGZPJMESA-N	1	0	355.486	1.674	20	30		FDEDRO
C=CCn1c(CCC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000571449985	549649808	/nfs/dbraw/zinc/64/98/08/549649808.db2.gz	JKYJFXFZXRGIBY-KRWDZBQOSA-N	1	0	374.533	1.796	20	30		FDEDRO
N#Cc1cnn2c1NC[C@H](C[NH2+][C@@H]1CCN(C(=O)C3CCCCC3)C1)C2	ZINC000571585449	549698926	/nfs/dbraw/zinc/69/89/26/549698926.db2.gz	LOFKIRBKZFBDRE-WMLDXEAASA-N	1	0	356.474	1.567	20	30		FDEDRO
CN1CCC(C#N)(NC(=O)c2cnc(OCc3ccccc3)cn2)CC1	ZINC000571595397	549701583	/nfs/dbraw/zinc/70/15/83/549701583.db2.gz	SLKIZKOPQKWBFJ-UHFFFAOYSA-N	1	0	351.410	1.773	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1	ZINC000571800066	549768299	/nfs/dbraw/zinc/76/82/99/549768299.db2.gz	PLUYXAYLWRLZIF-PBHICJAKSA-N	1	0	365.455	1.084	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)cc1	ZINC000572158380	549855410	/nfs/dbraw/zinc/85/54/10/549855410.db2.gz	NXRFFOVMYVCMBT-MJGOQNOKSA-N	1	0	360.454	1.455	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccncc1OCC[NH+](C)C	ZINC000572277078	549881157	/nfs/dbraw/zinc/88/11/57/549881157.db2.gz	DMEGBMQHUNYOEI-AEFFLSMTSA-N	1	0	362.474	1.802	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3C[C@H]4C[NH2+]CC[C@@H]4C3)n2)c(F)c1	ZINC000572344930	549894075	/nfs/dbraw/zinc/89/40/75/549894075.db2.gz	BZWMLASOVQLYEC-ZIAGYGMSSA-N	1	0	354.389	1.956	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)cc1	ZINC000572356410	549896247	/nfs/dbraw/zinc/89/62/47/549896247.db2.gz	IKHOESHAZSRFKT-QUCCMNQESA-N	1	0	365.433	1.689	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]CCNC(=O)CC2CCCCC2)cc1	ZINC000572393661	549905062	/nfs/dbraw/zinc/90/50/62/549905062.db2.gz	SJIZZFWNLPUWPY-SFHVURJKSA-N	1	0	359.470	1.974	20	30		FDEDRO
C[C@H](NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)c1ccc(C#N)cc1	ZINC000572498720	549929136	/nfs/dbraw/zinc/92/91/36/549929136.db2.gz	HMZURBFIWIYRKJ-YJBOKZPZSA-N	1	0	369.469	1.473	20	30		FDEDRO
COC[C@@]1(CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CCC[NH2+]1	ZINC000572734399	549983558	/nfs/dbraw/zinc/98/35/58/549983558.db2.gz	NYGFRAYXLLNQKI-SFHVURJKSA-N	1	0	372.404	1.773	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)Cc2ccc(CC#N)cc2)C[C@@H]1[NH+](C)C	ZINC000572757468	549988514	/nfs/dbraw/zinc/98/85/14/549988514.db2.gz	NTGZKBDANSPEQH-JKSUJKDBSA-N	1	0	353.513	1.560	20	30		FDEDRO
C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000572777505	549992431	/nfs/dbraw/zinc/99/24/31/549992431.db2.gz	LIDPMAOEHSGAGL-GASCZTMLSA-N	1	0	354.454	1.826	20	30		FDEDRO
C[C@]1(CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCC[NH2+]C1	ZINC000572856788	550011536	/nfs/dbraw/zinc/01/15/36/550011536.db2.gz	OHEAYUMGIXNOJM-XLIONFOSSA-N	1	0	369.469	1.743	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1	ZINC000573172623	550079361	/nfs/dbraw/zinc/07/93/61/550079361.db2.gz	RULFKLOONSIFOC-UHFFFAOYSA-N	1	0	356.426	1.496	20	30		FDEDRO
N#CC1(c2ccccn2)CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1	ZINC000573340670	550116303	/nfs/dbraw/zinc/11/63/03/550116303.db2.gz	XKUYSVMGQFMLPJ-UHFFFAOYSA-N	1	0	367.497	1.682	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2COc3ccccc3O2)nc1	ZINC000573404570	550130007	/nfs/dbraw/zinc/13/00/07/550130007.db2.gz	KMRVDXWZCKAPSO-CQSZACIVSA-N	1	0	359.407	1.157	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC[N@@H+]1C	ZINC000573420160	550132366	/nfs/dbraw/zinc/13/23/66/550132366.db2.gz	FXXMXXKPEISWGO-FHLIZLRMSA-N	1	0	369.469	1.441	20	30		FDEDRO
N#Cc1cc(N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)ncn1	ZINC000573519494	550156676	/nfs/dbraw/zinc/15/66/76/550156676.db2.gz	CZHFXVUHIKWVMT-UHFFFAOYSA-N	1	0	356.474	1.557	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1	ZINC000573678125	550190160	/nfs/dbraw/zinc/19/01/60/550190160.db2.gz	NVLIVJQKJSETDS-MOPGFXCFSA-N	1	0	358.486	1.016	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1	ZINC000573811377	550216011	/nfs/dbraw/zinc/21/60/11/550216011.db2.gz	OFMNMWRILHMLON-CQSZACIVSA-N	1	0	351.410	1.769	20	30		FDEDRO
CC1(C)C(=O)N[C@H]1C1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000574234691	550280352	/nfs/dbraw/zinc/28/03/52/550280352.db2.gz	QVEWCAWFTWLHQM-WMZOPIPTSA-N	1	0	357.454	1.535	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1	ZINC000574512693	550326248	/nfs/dbraw/zinc/32/62/48/550326248.db2.gz	SPNQVLMSNXDWTO-SKDZVZGDSA-N	1	0	366.412	1.033	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@@H]1CN(c2ccccc2)CCO1	ZINC000574820742	550376392	/nfs/dbraw/zinc/37/63/92/550376392.db2.gz	XGAHIMWCMYSLRC-MRXNPFEDSA-N	1	0	354.458	1.633	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1	ZINC000574988886	550405128	/nfs/dbraw/zinc/40/51/28/550405128.db2.gz	SYIPBHPRUUUWOA-QWHCGFSZSA-N	1	0	364.427	1.477	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1	ZINC000576222383	550524554	/nfs/dbraw/zinc/52/45/54/550524554.db2.gz	KDDMJUNWXRZBNS-KSZLIROESA-N	1	0	350.507	1.387	20	30		FDEDRO
C[C@@H]1CC(=O)N[C@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1	ZINC000576258247	550529191	/nfs/dbraw/zinc/52/91/91/550529191.db2.gz	AXMRKBQRKCXOON-RDJZCZTQSA-N	1	0	354.454	1.576	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)c(F)c1	ZINC000576688907	550575436	/nfs/dbraw/zinc/57/54/36/550575436.db2.gz	TVAQHMAICCBJSC-YESZJQIVSA-N	1	0	371.460	1.917	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1	ZINC000576730444	550580225	/nfs/dbraw/zinc/58/02/25/550580225.db2.gz	RWGMMSHHCVJBSZ-YESZJQIVSA-N	1	0	354.458	1.173	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c(F)c1	ZINC000576850532	550593033	/nfs/dbraw/zinc/59/30/33/550593033.db2.gz	JEMLAJQIFGHSTF-NVXWUHKLSA-N	1	0	367.446	1.604	20	30		FDEDRO
CC[NH2+]CCCNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000577712769	550685974	/nfs/dbraw/zinc/68/59/74/550685974.db2.gz	IWLUBKUEYAHBIC-UHFFFAOYSA-N	1	0	369.473	1.558	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@H](C[NH3+])C3CCCC3)CC2)c1C#N	ZINC000577712941	550686000	/nfs/dbraw/zinc/68/60/00/550686000.db2.gz	XQRNSIFOSFSFDG-OAHLLOKOSA-N	1	0	362.503	1.672	20	30		FDEDRO
COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1	ZINC000577851030	550702012	/nfs/dbraw/zinc/70/20/12/550702012.db2.gz	XWJTWXWPBXZILA-HXUWFJFHSA-N	1	0	361.405	1.918	20	30		FDEDRO
CC[C@@H]1Oc2cc([C@@H](C)[NH2+]C[C@@H](O)CN(C)CCC#N)ccc2NC1=O	ZINC000578006516	550717913	/nfs/dbraw/zinc/71/79/13/550717913.db2.gz	ICJBXDLRDXIWCU-UNEWFSDZSA-N	1	0	360.458	1.653	20	30		FDEDRO
COC(=O)c1ccc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(C#N)n1	ZINC000578668955	550789379	/nfs/dbraw/zinc/78/93/79/550789379.db2.gz	VSEZZMZGKQIPBH-XYPWUTKMSA-N	1	0	369.469	1.487	20	30		FDEDRO
CC(C)[C@H](CNC(=O)NCC#Cc1cccc(F)c1)[NH+]1CCN(C)CC1	ZINC000579262591	550853777	/nfs/dbraw/zinc/85/37/77/550853777.db2.gz	PHDHBVIJPYLKBG-IBGZPJMESA-N	1	0	360.477	1.748	20	30		FDEDRO
C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000579860751	550918100	/nfs/dbraw/zinc/91/81/00/550918100.db2.gz	QXTKYZCGGATMMC-HNNXBMFYSA-N	1	0	354.454	1.684	20	30		FDEDRO
N#Cc1cccc(CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1	ZINC000580001923	550932773	/nfs/dbraw/zinc/93/27/73/550932773.db2.gz	AQZDLRZHVVQGEY-RTBURBONSA-N	1	0	356.470	1.778	20	30		FDEDRO
C[C@@H](NC(=O)c1ccc(Br)cc1C#N)C(=O)NCC[NH+](C)C	ZINC000580464832	550985110	/nfs/dbraw/zinc/98/51/10/550985110.db2.gz	YIRQSMJEVLUMPS-SNVBAGLBSA-N	1	0	367.247	1.117	20	30		FDEDRO
CC[C@H](C(=O)N(CCC#N)CCN1CCOCC1)[N@H+](C)Cc1ccccc1	ZINC000580745367	551014001	/nfs/dbraw/zinc/01/40/01/551014001.db2.gz	LEADRQJXJLUKLZ-HXUWFJFHSA-N	1	0	372.513	1.971	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+]C2CCN(OC)CC2)c(OC)c1	ZINC000580829131	551022816	/nfs/dbraw/zinc/02/28/16/551022816.db2.gz	YZWVNOKUGKEARD-KRWDZBQOSA-N	1	0	350.459	1.779	20	30		FDEDRO
Cn1cc(C[NH2+]C2(CCO)CCN(C)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000581022420	551044102	/nfs/dbraw/zinc/04/41/02/551044102.db2.gz	UWIFIZWJRPEECN-UHFFFAOYSA-N	1	0	353.470	1.895	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)NC1CC[NH+](CC(=O)N(CC)CC)CC1)OCC	ZINC000581082886	551050264	/nfs/dbraw/zinc/05/02/64/551050264.db2.gz	UGEDJPVXCBYJFG-QGZVFWFLSA-N	1	0	353.507	1.807	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)n1	ZINC000581181312	551060864	/nfs/dbraw/zinc/06/08/64/551060864.db2.gz	LKTOWJPKGULFPJ-ARFHVFGLSA-N	1	0	354.458	1.173	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)n1	ZINC000581190196	551062053	/nfs/dbraw/zinc/06/20/53/551062053.db2.gz	STHITDGKEVQWFJ-KRWDZBQOSA-N	1	0	363.421	1.845	20	30		FDEDRO
COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)c2ccc(C#N)o2)c1	ZINC000581377053	551082151	/nfs/dbraw/zinc/08/21/51/551082151.db2.gz	YVJWYRLGJSNPCC-UHFFFAOYSA-N	1	0	363.439	1.912	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1CCc2cc(OC)c(OC)cc2C1	ZINC000581589688	551108016	/nfs/dbraw/zinc/10/80/16/551108016.db2.gz	NYNQHFGQXXMRFG-SJORKVTESA-N	1	0	360.454	1.912	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)COc3ccc(C#N)c(Br)c3)C[C@@H]21	ZINC000582342735	551209453	/nfs/dbraw/zinc/20/94/53/551209453.db2.gz	XLEHHRLIKZGCEM-DOMZBBRYSA-N	1	0	364.243	1.862	20	30		FDEDRO
C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000582360203	551213089	/nfs/dbraw/zinc/21/30/89/551213089.db2.gz	FDDHHOLTOFEPBC-BDAKNGLRSA-N	1	0	353.220	1.501	20	30		FDEDRO
C[NH2+]CCCC(=O)N1CCC(NC(=O)Nc2ccc(F)c(C#N)c2)CC1	ZINC000582431914	551223357	/nfs/dbraw/zinc/22/33/57/551223357.db2.gz	VFQPYOHUYCTTNR-UHFFFAOYSA-N	1	0	361.421	1.809	20	30		FDEDRO
COc1cc(OC)cc(N2CC[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)C2)c1	ZINC000582482295	551230176	/nfs/dbraw/zinc/23/01/76/551230176.db2.gz	YZNTVEMZWAAWCQ-RDJZCZTQSA-N	1	0	362.474	1.078	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[NH2+]CCC1CCS(=O)(=O)CC1	ZINC000582900208	551278970	/nfs/dbraw/zinc/27/89/70/551278970.db2.gz	HJRUCRHCNNLMBS-SFHVURJKSA-N	1	0	367.511	1.959	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)ncc1C#N	ZINC000583762255	551399087	/nfs/dbraw/zinc/39/90/87/551399087.db2.gz	PITLDLNEUDOOPP-UHFFFAOYSA-N	1	0	369.400	1.588	20	30		FDEDRO
C[C@H](C#N)C(=O)Nc1cccc(S(=O)(=O)NCCCC[NH+](C)C)c1	ZINC000583769740	551399773	/nfs/dbraw/zinc/39/97/73/551399773.db2.gz	SRTJPAQSSCSAKZ-CYBMUJFWSA-N	1	0	352.460	1.405	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1	ZINC000583835414	551408695	/nfs/dbraw/zinc/40/86/95/551408695.db2.gz	DMPITGYZOCZGNA-HZPDHXFCSA-N	1	0	369.531	1.369	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)cn2)[C@@H](C)C1	ZINC000583886180	551416468	/nfs/dbraw/zinc/41/64/68/551416468.db2.gz	AELBMDNJPRAELM-HOCLYGCPSA-N	1	0	373.457	1.145	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CCC(=O)N1CCc2sccc2C1	ZINC000584396798	551490577	/nfs/dbraw/zinc/49/05/77/551490577.db2.gz	KVGQUCPDPUUTLI-UHFFFAOYSA-N	1	0	372.498	1.764	20	30		FDEDRO
C[N@H+](CCOCc1ccc(C#N)cc1)C[C@@H]1CCCN(S(C)(=O)=O)C1	ZINC000584553066	551516394	/nfs/dbraw/zinc/51/63/94/551516394.db2.gz	DVNWMWBCUWOCQI-SFHVURJKSA-N	1	0	365.499	1.678	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccc(C#N)cc1	ZINC000585713201	551586134	/nfs/dbraw/zinc/58/61/34/551586134.db2.gz	LIUJPZDLVGNCOU-HNNXBMFYSA-N	1	0	363.421	1.479	20	30		FDEDRO
N#CCCCCNC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000585775792	551597425	/nfs/dbraw/zinc/59/74/25/551597425.db2.gz	QFYDKFHMLAKSKJ-GOSISDBHSA-N	1	0	356.470	1.825	20	30		FDEDRO
C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000586779379	551618822	/nfs/dbraw/zinc/61/88/22/551618822.db2.gz	UDWKBONZQXUJED-BHIYHBOVSA-N	1	0	359.470	1.287	20	30		FDEDRO
CC(=O)N1CCN([C@@H]2CN(C(=O)Cc3c(F)cccc3C#N)C[C@H]2C)CC1	ZINC000586795102	551620182	/nfs/dbraw/zinc/62/01/82/551620182.db2.gz	YZBOYBZHUOBMQU-AUUYWEPGSA-N	1	0	372.444	1.251	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(C#N)cc2F)C[C@H]1C	ZINC000586864436	551628253	/nfs/dbraw/zinc/62/82/53/551628253.db2.gz	VBGBOPRTIUPYAA-CJNGLKHVSA-N	1	0	360.433	1.645	20	30		FDEDRO
N#Cc1cccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)n1	ZINC000589457491	551731634	/nfs/dbraw/zinc/73/16/34/551731634.db2.gz	IHVTUEZFDXKMCG-VQIMIIECSA-N	1	0	350.422	1.566	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)[C@H]2C1	ZINC000589930552	551752563	/nfs/dbraw/zinc/75/25/63/551752563.db2.gz	ZYQXOCVZNOLYQO-RISCZKNCSA-N	1	0	359.373	1.902	20	30		FDEDRO
N#Cc1ccc(NCC(=O)NCC(=O)NCC[NH+]2CCCCCC2)cc1	ZINC000590396827	551779963	/nfs/dbraw/zinc/77/99/63/551779963.db2.gz	HZAGNZOLVBXOSU-UHFFFAOYSA-N	1	0	357.458	1.079	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@H+]1C	ZINC000590403068	551780873	/nfs/dbraw/zinc/78/08/73/551780873.db2.gz	WOOKNTVJGRTNHR-ZWKOTPCHSA-N	1	0	372.469	1.530	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C	ZINC000590562451	551792729	/nfs/dbraw/zinc/79/27/29/551792729.db2.gz	LLHKWQIERNHXRP-CVEARBPZSA-N	1	0	359.426	1.267	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(c3ncc(Br)cc3C#N)CC2)C1	ZINC000590690358	551805539	/nfs/dbraw/zinc/80/55/39/551805539.db2.gz	QUYFUIYMPJYXGS-OAHLLOKOSA-N	1	0	364.291	1.932	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)[C@@H]2C1	ZINC000590765345	551814789	/nfs/dbraw/zinc/81/47/89/551814789.db2.gz	NIZFCWVKKMDEAS-JJRVBVJISA-N	1	0	372.856	1.727	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@@H]3CCCNC3=O)CC2)cc1	ZINC000590950494	551828989	/nfs/dbraw/zinc/82/89/89/551828989.db2.gz	SCOPGYPWZWBZGA-SFHVURJKSA-N	1	0	369.469	1.302	20	30		FDEDRO
N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@H](C[NH3+])C3)cn2)cc1	ZINC000591277790	551855461	/nfs/dbraw/zinc/85/54/61/551855461.db2.gz	YVGWNEMUQGBLJS-MRXNPFEDSA-N	1	0	353.382	1.937	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N(C3CC3)[C@@H]3CC[NH2+]C3)n2)c(F)c1	ZINC000591297625	551857949	/nfs/dbraw/zinc/85/79/49/551857949.db2.gz	LHROYEIOPPKGKR-CQSZACIVSA-N	1	0	354.389	2.241	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCCC[NH2+]2)cc1	ZINC000591301842	551858382	/nfs/dbraw/zinc/85/83/82/551858382.db2.gz	QYRRDRVLVCHKEQ-TZMCWYRMSA-N	1	0	350.444	1.636	20	30		FDEDRO
CC[C@@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)CC[C@H]1[NH3+]	ZINC000591303815	551859214	/nfs/dbraw/zinc/85/92/14/551859214.db2.gz	COAYELDHWKHVCI-HUUCEWRRSA-N	1	0	358.442	1.870	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N3CCC[C@]4(CC[NH2+]C4)C3)CC2)nc1	ZINC000591350491	551864914	/nfs/dbraw/zinc/86/49/14/551864914.db2.gz	FCYUAFUYAGHKNL-HXUWFJFHSA-N	1	0	368.485	1.707	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N3CCC[C@@]4(CC[NH2+]C4)C3)CC2)nc1	ZINC000591350490	551865025	/nfs/dbraw/zinc/86/50/25/551865025.db2.gz	FCYUAFUYAGHKNL-FQEVSTJZSA-N	1	0	368.485	1.707	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CCO1	ZINC000591356219	551865721	/nfs/dbraw/zinc/86/57/21/551865721.db2.gz	SOHHCZBIMIDEEH-YJNKEBTESA-N	1	0	373.457	1.401	20	30		FDEDRO
C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000591360612	551866082	/nfs/dbraw/zinc/86/60/82/551866082.db2.gz	PBFIIXBBKVEDOX-WFASDCNBSA-N	1	0	358.446	1.253	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCCC2=CC[NH2+]CC2)CC1	ZINC000591360741	551866256	/nfs/dbraw/zinc/86/62/56/551866256.db2.gz	KSUMYANFMMIQCH-UHFFFAOYSA-N	1	0	370.457	1.565	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1	ZINC000591362236	551866349	/nfs/dbraw/zinc/86/63/49/551866349.db2.gz	LMXSASMIXIYGPP-HNNXBMFYSA-N	1	0	372.473	1.787	20	30		FDEDRO
C[C@@H]([NH3+])CNC(=O)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000591374434	551866974	/nfs/dbraw/zinc/86/69/74/551866974.db2.gz	AKPBZLKZXKJFBY-ZIAGYGMSSA-N	1	0	350.422	1.866	20	30		FDEDRO
Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C(=O)NCC1(C#N)CCC1	ZINC000591388968	551867413	/nfs/dbraw/zinc/86/74/13/551867413.db2.gz	HTVUDFJWQJBVCU-INIZCTEOSA-N	1	0	366.425	1.519	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1	ZINC000591572851	551880701	/nfs/dbraw/zinc/88/07/01/551880701.db2.gz	OVIACGNFCWVNCX-OALUTQOASA-N	1	0	368.481	1.755	20	30		FDEDRO
C[C@@H]1CCCN(C(=O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)[C@H]1C[NH3+]	ZINC000591583311	551881222	/nfs/dbraw/zinc/88/12/22/551881222.db2.gz	LFMIAGDKSGWPDR-CVEARBPZSA-N	1	0	369.469	1.051	20	30		FDEDRO
N#CC1(NC(=O)C[C@]2(O)CCC[N@H+](Cc3ccccc3)C2)CCOCC1	ZINC000591706619	551900394	/nfs/dbraw/zinc/90/03/94/551900394.db2.gz	PLTOYGAJDAQVTA-HXUWFJFHSA-N	1	0	357.454	1.593	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]C2CCN(CC(F)F)CC2)cc1	ZINC000591728766	551904345	/nfs/dbraw/zinc/90/43/45/551904345.db2.gz	GTTRMRHFWWIJHM-INIZCTEOSA-N	1	0	353.413	1.811	20	30		FDEDRO
COc1cccc2c1OC[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C2	ZINC000591733513	551904494	/nfs/dbraw/zinc/90/44/94/551904494.db2.gz	BNWYSOXTLANXBU-INIZCTEOSA-N	1	0	372.446	1.934	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2cc3c([nH]c2=O)CCC3)cc1	ZINC000591739694	551905006	/nfs/dbraw/zinc/90/50/06/551905006.db2.gz	SMYPQLDXMCRWQC-QGZVFWFLSA-N	1	0	353.422	1.871	20	30		FDEDRO
C[NH+]1CCN(C[C@@H](NC(=O)N2CC[C@](O)(CC#N)C2)c2ccccc2)CC1	ZINC000591946989	551919317	/nfs/dbraw/zinc/91/93/17/551919317.db2.gz	FTIUQYYCSGHGQG-UYAOXDASSA-N	1	0	371.485	1.035	20	30		FDEDRO
N#CC[C@]1(O)CCN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1	ZINC000591954684	551920098	/nfs/dbraw/zinc/92/00/98/551920098.db2.gz	RKZXAWMYDFOFND-QUCCMNQESA-N	1	0	356.470	1.611	20	30		FDEDRO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@H](CCC#N)c1ccccc1	ZINC000591957834	551920439	/nfs/dbraw/zinc/92/04/39/551920439.db2.gz	YNFSNVUHCQAFCQ-DOTOQJQBSA-N	1	0	357.458	1.793	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@@](O)(CC#N)C1	ZINC000591976341	551922936	/nfs/dbraw/zinc/92/29/36/551922936.db2.gz	RJFOAJYCNUKFEL-POAQFYNOSA-N	1	0	356.470	1.957	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Cc2c(C)nc(-c3ccncc3)[nH]c2=O)CC1	ZINC000592069290	551935604	/nfs/dbraw/zinc/93/56/04/551935604.db2.gz	YFCJOMIBKIJVDM-UHFFFAOYSA-N	1	0	367.453	1.449	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CCCN2C(=O)NC(C)(C)C2=O)CC1	ZINC000592076676	551936672	/nfs/dbraw/zinc/93/66/72/551936672.db2.gz	XSDZCKDHQQAPJU-UHFFFAOYSA-N	1	0	350.463	1.254	20	30		FDEDRO
Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3CC[C@](O)(CC#N)C3)CC2)cc1	ZINC000592148217	551949533	/nfs/dbraw/zinc/94/95/33/551949533.db2.gz	WPEQHHOLFUFFRZ-OAQYLSRUSA-N	1	0	370.497	1.380	20	30		FDEDRO
CC(C)(C)OC(=O)C1(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)CCOCC1	ZINC000592445720	551996498	/nfs/dbraw/zinc/99/64/98/551996498.db2.gz	QAWLJNKVTPNZTH-INIZCTEOSA-N	1	0	373.453	1.813	20	30		FDEDRO
CN(CC[NH+](C)C)C(=O)C1CN(c2ccc(Br)cc2C#N)C1	ZINC000592769947	552026470	/nfs/dbraw/zinc/02/64/70/552026470.db2.gz	KRRDEUYCKVCOBR-UHFFFAOYSA-N	1	0	365.275	1.777	20	30		FDEDRO
C=C(C)[C@@H](CO)[NH+]1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1	ZINC000593043414	552055182	/nfs/dbraw/zinc/05/51/82/552055182.db2.gz	FEUWXLJVQAXHAG-GOEBONIOSA-N	1	0	352.475	1.578	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCN(CC[NH+](C)C)C(=O)C1	ZINC000593052350	552056319	/nfs/dbraw/zinc/05/63/19/552056319.db2.gz	QGLGFBRBKDXGMZ-KRWDZBQOSA-N	1	0	371.485	1.028	20	30		FDEDRO
CC(C)O[C@H]1CCC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1	ZINC000593055920	552056788	/nfs/dbraw/zinc/05/67/88/552056788.db2.gz	USAKIGMPAPXPBP-ROUUACIJSA-N	1	0	350.507	1.568	20	30		FDEDRO
CC[C@@]1(COC)NC(=O)N(C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1=O	ZINC000593230639	552074951	/nfs/dbraw/zinc/07/49/51/552074951.db2.gz	DNGTUBGEFCZJIU-FQEVSTJZSA-N	1	0	370.453	1.870	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1Cc2cccc(C#N)c2C1	ZINC000593334563	552091310	/nfs/dbraw/zinc/09/13/10/552091310.db2.gz	FKTBNMGGJRQUND-GOSISDBHSA-N	1	0	369.469	1.526	20	30		FDEDRO
CCCN1C[C@@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1=O	ZINC000593349502	552093964	/nfs/dbraw/zinc/09/39/64/552093964.db2.gz	PVQDPSOSYOCQGX-SFHVURJKSA-N	1	0	368.481	1.897	20	30		FDEDRO
CO[C@@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1cnn(C)c1	ZINC000593351202	552094064	/nfs/dbraw/zinc/09/40/64/552094064.db2.gz	KAJPKNQWQGXLAP-LJQANCHMSA-N	1	0	367.453	1.760	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NCCn3cccn3)CC2)c1	ZINC000593349873	552094278	/nfs/dbraw/zinc/09/42/78/552094278.db2.gz	RMMAUKPHKBPOOE-UHFFFAOYSA-N	1	0	352.442	1.719	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc(C(N)=O)cn3)CC2)c1	ZINC000593356240	552095252	/nfs/dbraw/zinc/09/52/52/552095252.db2.gz	VDTCXRLOOPCFHD-UHFFFAOYSA-N	1	0	363.421	1.447	20	30		FDEDRO
CC(C)C[N@H+](C)CCCNC(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000593422989	552106165	/nfs/dbraw/zinc/10/61/65/552106165.db2.gz	POCDOHOLRRQPEP-UHFFFAOYSA-N	1	0	358.490	1.763	20	30		FDEDRO
CC[C@H](C#N)C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000593442276	552108605	/nfs/dbraw/zinc/10/86/05/552108605.db2.gz	QWWOMYSSRCBXSF-QZTJIDSGSA-N	1	0	355.486	1.992	20	30		FDEDRO
CC(C)(O)C1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000593513218	552120270	/nfs/dbraw/zinc/12/02/70/552120270.db2.gz	FTDXOKYNLIPJKX-UHFFFAOYSA-N	1	0	356.470	1.935	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593514125	552120498	/nfs/dbraw/zinc/12/04/98/552120498.db2.gz	QENFSEOOSNTLKQ-UHFFFAOYSA-N	1	0	355.442	1.124	20	30		FDEDRO
CC[C@@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C(=O)NC	ZINC000593519002	552121445	/nfs/dbraw/zinc/12/14/45/552121445.db2.gz	YUOHPPZISCCWAK-QGZVFWFLSA-N	1	0	357.458	1.346	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)NCCC3CC[NH2+]CC3)CC2)c1C#N	ZINC000593721658	552182420	/nfs/dbraw/zinc/18/24/20/552182420.db2.gz	QHBLOXGUUCSEJD-UHFFFAOYSA-N	1	0	362.503	1.545	20	30		FDEDRO
CC(C)(C#N)c1ccc(S(=O)(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc1	ZINC000593728917	552184399	/nfs/dbraw/zinc/18/43/99/552184399.db2.gz	HOEHXSPXBBRIPV-MRXNPFEDSA-N	1	0	362.499	1.156	20	30		FDEDRO
COC[C@]1(CNS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)CCC[NH2+]1	ZINC000593732319	552185891	/nfs/dbraw/zinc/18/58/91/552185891.db2.gz	LFDMKIHLMOWCKY-QGZVFWFLSA-N	1	0	351.472	1.535	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)NCCC1CC[NH2+]CC1	ZINC000593733348	552186401	/nfs/dbraw/zinc/18/64/01/552186401.db2.gz	STVLYONSICCWHQ-UHFFFAOYSA-N	1	0	372.288	1.989	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCCC1CC[NH2+]CC1	ZINC000593765742	552193790	/nfs/dbraw/zinc/19/37/90/552193790.db2.gz	PPCTWVLWIXHYBH-UHFFFAOYSA-N	1	0	374.441	1.028	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000593767860	552194637	/nfs/dbraw/zinc/19/46/37/552194637.db2.gz	WCJOGGFSCPEEEG-BQFCYCMXSA-N	1	0	370.453	1.550	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)CN3CCCNC3=O)CC2)c1	ZINC000593881803	552215975	/nfs/dbraw/zinc/21/59/75/552215975.db2.gz	CDVNQDUBZVBJAR-UHFFFAOYSA-N	1	0	355.442	1.054	20	30		FDEDRO
COCc1nn(C)cc1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593886089	552217341	/nfs/dbraw/zinc/21/73/41/552217341.db2.gz	OCUWXWCHEUVFEU-UHFFFAOYSA-N	1	0	367.453	1.833	20	30		FDEDRO
CC1CCN(C(=O)C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1	ZINC000593886556	552217682	/nfs/dbraw/zinc/21/76/82/552217682.db2.gz	RFPQKJONCZIDLI-UHFFFAOYSA-N	1	0	368.481	1.897	20	30		FDEDRO
CCNC(=O)CN(CC)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593928738	552227681	/nfs/dbraw/zinc/22/76/81/552227681.db2.gz	ROIWDIFOXJWTFM-UHFFFAOYSA-N	1	0	371.485	1.690	20	30		FDEDRO
N#Cc1ccc2c(c1)CN(C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)C2	ZINC000594224796	552266700	/nfs/dbraw/zinc/26/67/00/552266700.db2.gz	YAFPJMGVSPPUQR-INIZCTEOSA-N	1	0	355.442	1.171	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC000594285906	552278606	/nfs/dbraw/zinc/27/86/06/552278606.db2.gz	NQJLZUPYBQRNCH-YJBOKZPZSA-N	1	0	356.470	1.440	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)ncc1C#N	ZINC000594288048	552278968	/nfs/dbraw/zinc/27/89/68/552278968.db2.gz	GCBDXBRSCYVWJE-GUTXKFCHSA-N	1	0	357.458	1.683	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1sccc1C#N)N1C[C@@H](C)O[C@@H](C)C1	ZINC000594312166	552285241	/nfs/dbraw/zinc/28/52/41/552285241.db2.gz	MVSDDFOLAUQXLJ-SDDRHHMPSA-N	1	0	350.444	1.172	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1	ZINC000594431051	552308515	/nfs/dbraw/zinc/30/85/15/552308515.db2.gz	GRQZHASIYLMURI-SFHVURJKSA-N	1	0	374.460	1.840	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1	ZINC000594427852	552308788	/nfs/dbraw/zinc/30/87/88/552308788.db2.gz	KKCDEHRGXWKSRC-HNNXBMFYSA-N	1	0	350.444	1.576	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1	ZINC000594431050	552308833	/nfs/dbraw/zinc/30/88/33/552308833.db2.gz	GRQZHASIYLMURI-GOSISDBHSA-N	1	0	374.460	1.840	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1	ZINC000594447108	552312186	/nfs/dbraw/zinc/31/21/86/552312186.db2.gz	TUTYZNNIVMJYTM-CQSZACIVSA-N	1	0	368.434	1.616	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F)cc1C#N	ZINC000594531517	552329062	/nfs/dbraw/zinc/32/90/62/552329062.db2.gz	BULDSBTVKZVNIR-LBPRGKRZSA-N	1	0	358.320	1.290	20	30		FDEDRO
N#Cc1ccc2c(c1)CN(C(=O)C(=O)Nc1cnc3c(c1)C[C@H]([NH3+])CC3)C2	ZINC000594531486	552329431	/nfs/dbraw/zinc/32/94/31/552329431.db2.gz	BRFXJMBMWOXPII-MRXNPFEDSA-N	1	0	361.405	1.250	20	30		FDEDRO
COC(=O)c1ccc(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(C#N)n1	ZINC000594565432	552334229	/nfs/dbraw/zinc/33/42/29/552334229.db2.gz	ZBJPJNKSSYUMCL-ROUUACIJSA-N	1	0	358.442	1.920	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(F)c1	ZINC000594621187	552342603	/nfs/dbraw/zinc/34/26/03/552342603.db2.gz	RNMBSDBLPZZAOD-IAGOWNOFSA-N	1	0	358.417	1.447	20	30		FDEDRO
CS(=O)(=O)C1(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)CCCCC1	ZINC000594732474	552366932	/nfs/dbraw/zinc/36/69/32/552366932.db2.gz	LKNJVYFAMOJYTP-INIZCTEOSA-N	1	0	366.483	1.635	20	30		FDEDRO
N#CC1(CS(=O)(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CCC1	ZINC000594829497	552400980	/nfs/dbraw/zinc/40/09/80/552400980.db2.gz	LKFGGTKWRZGBAY-UHFFFAOYSA-N	1	0	362.499	1.907	20	30		FDEDRO
N#CCCn1cc(C[NH2+]C[C@]2(OCCO)CCOC2)c(-c2ccccc2)n1	ZINC000594973522	552429245	/nfs/dbraw/zinc/42/92/45/552429245.db2.gz	DXRFKXHQMFLATJ-HXUWFJFHSA-N	1	0	370.453	1.721	20	30		FDEDRO
C[C@@H]1CC[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CS1(=O)=O	ZINC000594973961	552429439	/nfs/dbraw/zinc/42/94/39/552429439.db2.gz	IFXFAGPJSDDZJJ-PBHICJAKSA-N	1	0	373.482	1.914	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)n(CCC#N)n1	ZINC000595071169	552444462	/nfs/dbraw/zinc/44/44/62/552444462.db2.gz	AECNSGKPDFQEIT-AWEZNQCLSA-N	1	0	360.462	1.280	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C	ZINC000595073084	552444926	/nfs/dbraw/zinc/44/49/26/552444926.db2.gz	MJDRMVCWCGQUDV-CQSZACIVSA-N	1	0	358.442	1.884	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1	ZINC000595114302	552455159	/nfs/dbraw/zinc/45/51/59/552455159.db2.gz	VQZFDCBRJBJLED-KURKYZTESA-N	1	0	363.483	1.749	20	30		FDEDRO
Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)CC1	ZINC000595130577	552461097	/nfs/dbraw/zinc/46/10/97/552461097.db2.gz	JWANMYPOJFGYGA-OAQYLSRUSA-N	1	0	368.481	1.792	20	30		FDEDRO
C[C@]1(C#N)CCN(C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)C1	ZINC000595236763	552501681	/nfs/dbraw/zinc/50/16/81/552501681.db2.gz	MYUKTQCANJQVHO-LJQANCHMSA-N	1	0	357.458	1.738	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1	ZINC000595240671	552502765	/nfs/dbraw/zinc/50/27/65/552502765.db2.gz	VCSBNUMZQIOWQO-MRXNPFEDSA-N	1	0	370.453	1.744	20	30		FDEDRO
N#Cc1ccc(CCNC(=O)C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)cc1	ZINC000595240092	552502886	/nfs/dbraw/zinc/50/28/86/552502886.db2.gz	NOGAMPBCMLOXBK-MRXNPFEDSA-N	1	0	363.421	1.067	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1C(F)(F)F	ZINC000595241763	552503185	/nfs/dbraw/zinc/50/31/85/552503185.db2.gz	IQHOEGNLQJUQGI-VXGBXAGGSA-N	1	0	358.295	1.413	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)ccc1OC(F)(F)F	ZINC000595251607	552505550	/nfs/dbraw/zinc/50/55/50/552505550.db2.gz	OXSLDUANDCFKOR-UHFFFAOYSA-N	1	0	368.315	1.345	20	30		FDEDRO
COC(=O)[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccccc1Br	ZINC000595255730	552506163	/nfs/dbraw/zinc/50/61/63/552506163.db2.gz	AYVPWAKYVJCKQI-OLZOCXBDSA-N	1	0	368.231	1.801	20	30		FDEDRO
COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CC[C@](F)(C#N)C2)cc1F	ZINC000595269822	552508920	/nfs/dbraw/zinc/50/89/20/552508920.db2.gz	MXHPIIZICMLJMK-YEWWUXTCSA-N	1	0	364.396	1.927	20	30		FDEDRO
COC(=O)CCN1CC[C@H]([N@@H+]2CCCN(c3ccccc3C#N)CC2)C1=O	ZINC000595297052	552515415	/nfs/dbraw/zinc/51/54/15/552515415.db2.gz	JNHDKPWXXHXJJE-SFHVURJKSA-N	1	0	370.453	1.234	20	30		FDEDRO
C=CCCSCCNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000595549722	552582431	/nfs/dbraw/zinc/58/24/31/552582431.db2.gz	LQNFIRZJAXCHFE-INIZCTEOSA-N	1	0	356.536	1.001	20	30		FDEDRO
CN(C(=O)C[NH2+][C@@H](C1CC1)C1(CO)CCOCC1)C1(C#N)CCCCC1	ZINC000595596197	552590423	/nfs/dbraw/zinc/59/04/23/552590423.db2.gz	LTQNKZBBZPRIST-SFHVURJKSA-N	1	0	363.502	1.829	20	30		FDEDRO
COC[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C1CCOCC1	ZINC000595616188	552593357	/nfs/dbraw/zinc/59/33/57/552593357.db2.gz	QFKGPZTWJIAECU-KRWDZBQOSA-N	1	0	352.456	1.363	20	30		FDEDRO
COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000595665465	552600150	/nfs/dbraw/zinc/60/01/50/552600150.db2.gz	XRGMBBYUWARKOE-DZGCQCFKSA-N	1	0	351.790	1.460	20	30		FDEDRO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1	ZINC000595735822	552608644	/nfs/dbraw/zinc/60/86/44/552608644.db2.gz	DHIALXCUPFBRIF-PVXQGDRASA-N	1	0	360.502	1.906	20	30		FDEDRO
CN(Cc1cnn(C)c1)C(=O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1	ZINC000595764734	552612972	/nfs/dbraw/zinc/61/29/72/552612972.db2.gz	MTBNAVQHCLWRGM-UHFFFAOYSA-N	1	0	367.453	1.546	20	30		FDEDRO
C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000595785311	552614881	/nfs/dbraw/zinc/61/48/81/552614881.db2.gz	IFYZWYAXFZKZCQ-QGZVFWFLSA-N	1	0	370.501	1.905	20	30		FDEDRO
N#Cc1c(NC(=O)CC[N@H+]2CCC(CO)(CO)C2)sc2c1CCCC2	ZINC000595802051	552617590	/nfs/dbraw/zinc/61/75/90/552617590.db2.gz	YKRXGDYNJSORGV-UHFFFAOYSA-N	1	0	363.483	1.504	20	30		FDEDRO
COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CC[C@@](C)(C#N)C3)CC2)cc1	ZINC000595839508	552621737	/nfs/dbraw/zinc/62/17/37/552621737.db2.gz	GMTUQWGLNFWXKK-NRFANRHFSA-N	1	0	370.497	1.965	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN([C@H]2CCN(c3sccc3C#N)C2=O)CCO1	ZINC000595906252	552631512	/nfs/dbraw/zinc/63/15/12/552631512.db2.gz	IEYXRHBRVRACLQ-CVEARBPZSA-N	1	0	362.499	1.768	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1	ZINC000595988634	552641527	/nfs/dbraw/zinc/64/15/27/552641527.db2.gz	PUMOOMUEYWJXSD-LJQANCHMSA-N	1	0	368.481	1.755	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)nc1	ZINC000596066174	552651541	/nfs/dbraw/zinc/65/15/41/552651541.db2.gz	MYDQTKGYQPMLDW-BPQIPLTHSA-N	1	0	357.410	1.794	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]CCN2C[C@H]3CCCCN3C2=O)cc1	ZINC000596064985	552651771	/nfs/dbraw/zinc/65/17/71/552651771.db2.gz	MEZFFPJEYIIPCT-SJORKVTESA-N	1	0	358.442	1.178	20	30		FDEDRO
N#Cc1cc2c(nc1NCC1CC[NH+](C3CCOCC3)CC1)CCOC2	ZINC000596315300	552673743	/nfs/dbraw/zinc/67/37/43/552673743.db2.gz	FTJKEQYLISNICX-UHFFFAOYSA-N	1	0	356.470	2.329	20	30		FDEDRO
N#CCCn1ccc(=NC(=O)NCC2CC[NH+](C3CCOCC3)CC2)[nH]1	ZINC000596752032	552707142	/nfs/dbraw/zinc/70/71/42/552707142.db2.gz	BIXCVVVOVHLBKC-UHFFFAOYSA-N	1	0	360.462	1.809	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)CC2C[NH+](C)C2)cc1	ZINC000596877962	552720504	/nfs/dbraw/zinc/72/05/04/552720504.db2.gz	ZVOCFONWSSARFA-GFCCVEGCSA-N	1	0	350.444	1.398	20	30		FDEDRO
COC(=O)[C@H]1C[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1	ZINC000596959056	552728840	/nfs/dbraw/zinc/72/88/40/552728840.db2.gz	ARITYFTXESQOBO-IYARVYRRSA-N	1	0	370.453	1.727	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CN2CC[C@@H](c3ccccc3)NC2=O)CC1	ZINC000597168141	552756785	/nfs/dbraw/zinc/75/67/85/552756785.db2.gz	YBJLBFXBQFRZJQ-INIZCTEOSA-N	1	0	355.442	1.247	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(C#N)cc1	ZINC000597184604	552758762	/nfs/dbraw/zinc/75/87/62/552758762.db2.gz	LUJBSBFZQDNQDW-KDOFPFPSSA-N	1	0	370.453	1.105	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)c1cccc(C#N)c1	ZINC000597254866	552765709	/nfs/dbraw/zinc/76/57/09/552765709.db2.gz	NGYIIFKGOCJWGE-CRAIPNDOSA-N	1	0	372.469	1.305	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NC(=O)CC2(C#N)CCOCC2)[C@H](C)C1	ZINC000597257450	552766187	/nfs/dbraw/zinc/76/61/87/552766187.db2.gz	SLSABJIMNIJKMV-SJORKVTESA-N	1	0	351.491	1.950	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000597283851	552769637	/nfs/dbraw/zinc/76/96/37/552769637.db2.gz	IESZMFXKOLREGN-HNNXBMFYSA-N	1	0	369.531	1.029	20	30		FDEDRO
C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NCC2(C#N)CCCCC2)C1	ZINC000597396076	552783787	/nfs/dbraw/zinc/78/37/87/552783787.db2.gz	FBJLKVKHLWHXPB-QGZVFWFLSA-N	1	0	360.502	1.767	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(Cc2ccc(C#N)cc2)C(C)C)C1	ZINC000597400752	552784603	/nfs/dbraw/zinc/78/46/03/552784603.db2.gz	BJGSRIOPLYXHLH-SFHVURJKSA-N	1	0	356.470	1.896	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(C(=O)CC3(C#N)CCOCC3)CC2)CC1	ZINC000597413902	552786147	/nfs/dbraw/zinc/78/61/47/552786147.db2.gz	SNJSXUZBDXOZBO-UHFFFAOYSA-N	1	0	362.518	1.714	20	30		FDEDRO
CO[C@@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)[C@H]1CCOC1	ZINC000597474297	552793344	/nfs/dbraw/zinc/79/33/44/552793344.db2.gz	GCLUEAICDJOLRI-ZWKOTPCHSA-N	1	0	357.454	1.712	20	30		FDEDRO
N#CC1(NC(=O)[C@@H]2CCCc3nn[nH]c32)CC[NH+](Cc2ccccc2)CC1	ZINC000597477333	552793656	/nfs/dbraw/zinc/79/36/56/552793656.db2.gz	RKJMBDZWFOCDNN-MRXNPFEDSA-N	1	0	364.453	1.899	20	30		FDEDRO
C[NH+](C)C[C@@H](CO)NC(=O)c1cccc(COc2ccccc2C#N)c1	ZINC000597654131	552818023	/nfs/dbraw/zinc/81/80/23/552818023.db2.gz	OUBJHBQTBALJJJ-SFHVURJKSA-N	1	0	353.422	1.790	20	30		FDEDRO
C[NH+](C)C[C@@H](CO)NC(=O)c1cccc(COc2ccc(C#N)cc2)c1	ZINC000597654195	552818118	/nfs/dbraw/zinc/81/81/18/552818118.db2.gz	PJFKQPBLJXFQNZ-SFHVURJKSA-N	1	0	353.422	1.790	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)N2CCN(c3ccsc3C#N)CC2)CC1	ZINC000597936520	552847812	/nfs/dbraw/zinc/84/78/12/552847812.db2.gz	HCZVBKHMERACPK-UHFFFAOYSA-N	1	0	361.515	1.296	20	30		FDEDRO
N#Cc1ccc(C(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1O	ZINC000597993190	552853942	/nfs/dbraw/zinc/85/39/42/552853942.db2.gz	ZWOBDOZPTLVDCL-SFHVURJKSA-N	1	0	351.406	1.760	20	30		FDEDRO
CCOC(=O)C1CCN(C(=O)C[N@H+](C)C[C@H](O)CC(C)(C)C#N)CC1	ZINC000598590346	552912170	/nfs/dbraw/zinc/91/21/70/552912170.db2.gz	QGROBBMMJQPVRG-OAHLLOKOSA-N	1	0	353.463	1.021	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NCC[N@@H+](C)C[C@@H](O)CC(C)(C)C#N)cc1	ZINC000598595005	552912842	/nfs/dbraw/zinc/91/28/42/552912842.db2.gz	KSIRLOKDKZAYGA-HNNXBMFYSA-N	1	0	353.488	1.506	20	30		FDEDRO
Cn1ccnc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)C[C@@H](O)CC(C)(C)C#N	ZINC000598607237	552914708	/nfs/dbraw/zinc/91/47/08/552914708.db2.gz	LXZYJJMIJLKXTK-JYJNAYRXSA-N	1	0	351.470	1.565	20	30		FDEDRO
COc1cccc(N2CC[NH+](C[C@@H](O)CC3(C#N)CCOCC3)CC2)c1	ZINC000599252734	553003280	/nfs/dbraw/zinc/00/32/80/553003280.db2.gz	ZJEJNSVAZLFDBI-SFHVURJKSA-N	1	0	359.470	1.889	20	30		FDEDRO
CCOC(=O)[C@H]1CCC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000599253396	553003887	/nfs/dbraw/zinc/00/38/87/553003887.db2.gz	KIBVVYDOUGICPI-HNNXBMFYSA-N	1	0	354.406	1.561	20	30		FDEDRO
CN(CC(=O)NCc1cccs1)C[C@@H](O)COc1ccccc1C#N	ZINC000599292183	553017618	/nfs/dbraw/zinc/01/76/18/553017618.db2.gz	FSNNMZCXLXHQOJ-OAHLLOKOSA-N	1	0	359.451	1.608	20	30		FDEDRO
Cc1nsc(N2CCC[N@H+](C[C@H](O)CC3(C#N)CCOCC3)CC2)n1	ZINC000599305031	553021207	/nfs/dbraw/zinc/02/12/07/553021207.db2.gz	VSWJQOYVBSNIBX-OAHLLOKOSA-N	1	0	365.503	1.430	20	30		FDEDRO
COC(=O)CCC1CC[NH+](CC#CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000599317994	553024959	/nfs/dbraw/zinc/02/49/59/553024959.db2.gz	YDQGIFLFJPLBRQ-UHFFFAOYSA-N	1	0	368.433	1.951	20	30		FDEDRO
CN(C)C(=O)C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1ccccc1	ZINC000599349106	553034194	/nfs/dbraw/zinc/03/41/94/553034194.db2.gz	KOQHYBIWSYZIPY-ROUUACIJSA-N	1	0	359.470	1.867	20	30		FDEDRO
C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1ccc(-n2ccnn2)cc1	ZINC000599355214	553035242	/nfs/dbraw/zinc/03/52/42/553035242.db2.gz	WBOCAYOBYABVAT-MAUKXSAKSA-N	1	0	355.442	1.989	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)CCOCC1	ZINC000599381252	553041286	/nfs/dbraw/zinc/04/12/86/553041286.db2.gz	JDZZCHBJFNACHY-QRWLVFNGSA-N	1	0	355.438	1.654	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]C2(C(N)=O)C3CC4CC(C3)CC2C4)CCOCC1	ZINC000599436826	553055927	/nfs/dbraw/zinc/05/59/27/553055927.db2.gz	ACSKJUOPLQUIQZ-XQYHGENGSA-N	1	0	361.486	1.328	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H](C1CCOCC1)C1(CO)CCC1	ZINC000599439749	553056974	/nfs/dbraw/zinc/05/69/74/553056974.db2.gz	DNOBVQQOLNQOBS-UYAOXDASSA-N	1	0	374.481	1.845	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC2([NH3+])CCOCC2)cc1	ZINC000599606177	553101523	/nfs/dbraw/zinc/10/15/23/553101523.db2.gz	KVYSOWJGNGDUKK-LBPRGKRZSA-N	1	0	366.443	1.002	20	30		FDEDRO
N#Cc1ccc(CC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)cn1	ZINC000599653182	553113041	/nfs/dbraw/zinc/11/30/41/553113041.db2.gz	MLPVEEJUSLTCOK-UHFFFAOYSA-N	1	0	356.470	1.895	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCCC4(CC4)CC3)CC2)o1	ZINC000599673528	553118993	/nfs/dbraw/zinc/11/89/93/553118993.db2.gz	SDBUVDIGTLBFKO-UHFFFAOYSA-N	1	0	357.458	1.769	20	30		FDEDRO
N#CCc1cccc2c1CCN(CC(=O)NC1CC[NH+](C3CC3)CC1)C2	ZINC000599679898	553120033	/nfs/dbraw/zinc/12/00/33/553120033.db2.gz	ZQSJMDZMYNNOJT-UHFFFAOYSA-N	1	0	352.482	1.854	20	30		FDEDRO
COC(=O)C1C[C@H](C)[NH+](CC#CCN2C(=O)c3ccccc3C2=O)[C@@H](C)C1	ZINC000599691116	553122772	/nfs/dbraw/zinc/12/27/72/553122772.db2.gz	OPYIOAMKZKDGNG-GJZGRUSLSA-N	1	0	368.433	1.948	20	30		FDEDRO
CN1C2(CCC2)COC[C@]1(CO)CNC(=O)Nc1ccc(F)cc1C#N	ZINC000599749854	553137502	/nfs/dbraw/zinc/13/75/02/553137502.db2.gz	CQVAUYGNAXERNT-GOSISDBHSA-N	1	0	362.405	1.435	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C(C)C	ZINC000599890624	553168792	/nfs/dbraw/zinc/16/87/92/553168792.db2.gz	SKUKYZHWTMBIOC-MRXNPFEDSA-N	1	0	358.442	1.740	20	30		FDEDRO
C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C[NH2+]1	ZINC000599895175	553169735	/nfs/dbraw/zinc/16/97/35/553169735.db2.gz	CWPNOMFPFHPMLB-CABZTGNLSA-N	1	0	370.331	1.652	20	30		FDEDRO
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)c1C	ZINC000599903798	553172083	/nfs/dbraw/zinc/17/20/83/553172083.db2.gz	LSOFEPYAOAZXLE-XJKSGUPXSA-N	1	0	366.425	1.166	20	30		FDEDRO
CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000599908376	553172427	/nfs/dbraw/zinc/17/24/27/553172427.db2.gz	QZVZCWYCUDWTDH-KRWDZBQOSA-N	1	0	356.474	1.561	20	30		FDEDRO
CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000599933222	553176830	/nfs/dbraw/zinc/17/68/30/553176830.db2.gz	FYARIISKWTXGFN-UONOGXRCSA-N	1	0	358.446	1.396	20	30		FDEDRO
Cc1cc(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)nn1-c1cccc(C#N)c1	ZINC000599938012	553178358	/nfs/dbraw/zinc/17/83/58/553178358.db2.gz	KEBPDDHDTYTKFX-ROUUACIJSA-N	1	0	365.437	1.334	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(OC)c(C#N)cc2F)CC1	ZINC000599949661	553182780	/nfs/dbraw/zinc/18/27/80/553182780.db2.gz	RUNQCNGMJDYHAC-UHFFFAOYSA-N	1	0	360.389	1.411	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c(F)cc1C#N	ZINC000599979561	553191880	/nfs/dbraw/zinc/19/18/80/553191880.db2.gz	FXGNDCGFGFTJCB-CYBMUJFWSA-N	1	0	362.405	1.586	20	30		FDEDRO
CC(C)(C)c1csc(NC(=O)C(=O)NCC[N@@H+]2CC[C@H](O)C2)c1C#N	ZINC000600100707	553218414	/nfs/dbraw/zinc/21/84/14/553218414.db2.gz	SNJIJDUGXAVUKT-NSHDSACASA-N	1	0	364.471	1.039	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]CC2(N3CCOCC3)CCCCC2)CCOCC1	ZINC000600713564	553305797	/nfs/dbraw/zinc/30/57/97/553305797.db2.gz	CDEIVIKHEPZOLA-GOSISDBHSA-N	1	0	365.518	1.682	20	30		FDEDRO
CN(C)C(=O)c1ccc(C[NH2+]C[C@H](O)COc2ccccc2C#N)cc1	ZINC000600715572	553306289	/nfs/dbraw/zinc/30/62/89/553306289.db2.gz	ABVFGDWEJXNPIG-SFHVURJKSA-N	1	0	353.422	1.790	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)CC1	ZINC000600719743	553306809	/nfs/dbraw/zinc/30/68/09/553306809.db2.gz	WIOFKAIHLQTBDM-GOSISDBHSA-N	1	0	356.470	1.734	20	30		FDEDRO
CN(C)C(=O)c1cccc(CC[NH2+]C[C@H](O)COc2ccccc2C#N)c1	ZINC000600722553	553307199	/nfs/dbraw/zinc/30/71/99/553307199.db2.gz	HCPGCAQPAIQVDN-IBGZPJMESA-N	1	0	367.449	1.832	20	30		FDEDRO
CCc1n[nH]c(=O)c(C[NH2+]C[C@@H](O)COc2ccccc2C#N)c1CC	ZINC000600729880	553308450	/nfs/dbraw/zinc/30/84/50/553308450.db2.gz	IXFJLTPWRCVXTQ-CQSZACIVSA-N	1	0	356.426	1.708	20	30		FDEDRO
COc1ccc(-n2cc(C[NH2+]C[C@@H](O)CC3(C#N)CCOCC3)nn2)cc1	ZINC000600732446	553308672	/nfs/dbraw/zinc/30/86/72/553308672.db2.gz	ZRKRKORMQNJXAP-KRWDZBQOSA-N	1	0	371.441	1.437	20	30		FDEDRO
COC(=O)c1cccc(CC[NH2+]C[C@@H](O)COc2ccccc2C#N)c1	ZINC000600732568	553308948	/nfs/dbraw/zinc/30/89/48/553308948.db2.gz	SFLWSVFOSZZHTR-GOSISDBHSA-N	1	0	354.406	1.917	20	30		FDEDRO
COc1ccc2c(c1)nc(C[NH2+]C[C@H](O)COc1ccccc1C#N)n2C	ZINC000600738071	553309186	/nfs/dbraw/zinc/30/91/86/553309186.db2.gz	YBMVWHNZJXZTLK-HNNXBMFYSA-N	1	0	366.421	1.983	20	30		FDEDRO
N#CC1(C[C@H](O)CNc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)CCOCC1	ZINC000600736490	553309211	/nfs/dbraw/zinc/30/92/11/553309211.db2.gz	ARFVPCMEWKJKNW-OALUTQOASA-N	1	0	359.470	1.736	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)CCOCC1	ZINC000600739778	553309730	/nfs/dbraw/zinc/30/97/30/553309730.db2.gz	FKHYYHGRVXGZOG-IRXDYDNUSA-N	1	0	364.490	1.328	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)CCOCC1	ZINC000600747030	553310562	/nfs/dbraw/zinc/31/05/62/553310562.db2.gz	ZJWSMAFAGRRHOH-IRXDYDNUSA-N	1	0	357.454	1.732	20	30		FDEDRO
COCCN1CCC[C@@H](NS(=O)(=O)c2c(C)cc(F)cc2C#N)C1	ZINC000601338509	553379008	/nfs/dbraw/zinc/37/90/08/553379008.db2.gz	XPKOVFRGKQLPQK-OAHLLOKOSA-N	1	0	355.435	1.395	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)c1ccccc1CC#N	ZINC000601339614	553379328	/nfs/dbraw/zinc/37/93/28/553379328.db2.gz	FECLCOZOBOTLED-UHFFFAOYSA-N	1	0	358.467	1.900	20	30		FDEDRO
N#CCc1ccccc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1	ZINC000601342303	553379940	/nfs/dbraw/zinc/37/99/40/553379940.db2.gz	BOBHVDQVUFSORF-CHWSQXEVSA-N	1	0	361.389	1.900	20	30		FDEDRO
N#CCCN1CCN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1	ZINC000601560301	553435544	/nfs/dbraw/zinc/43/55/44/553435544.db2.gz	OBIXKZXYHIGUBK-LJQANCHMSA-N	1	0	355.486	1.892	20	30		FDEDRO
C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000601575904	553438554	/nfs/dbraw/zinc/43/85/54/553438554.db2.gz	SLUKLVYUNDVETI-WCBMZHEXSA-N	1	0	351.204	1.207	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)c2ccccc2CC#N)(N2CCOCC2)CC1	ZINC000601633146	553449005	/nfs/dbraw/zinc/44/90/05/553449005.db2.gz	SXXKQEBIDDXGEE-UHFFFAOYSA-N	1	0	356.470	1.279	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]CCn2ccc(C(F)(F)F)n2)cc1	ZINC000601969951	553497539	/nfs/dbraw/zinc/49/75/39/553497539.db2.gz	HLWXOARKUYQGJG-ZDUSSCGKSA-N	1	0	354.332	1.803	20	30		FDEDRO
C[N@H+](CCc1ccccc1)CC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000602046532	553507499	/nfs/dbraw/zinc/50/74/99/553507499.db2.gz	KAHWWAUTUIDSKH-UHFFFAOYSA-N	1	0	363.465	1.776	20	30		FDEDRO
CCC1([NH+](C)C)CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)CC1	ZINC000602065385	553511668	/nfs/dbraw/zinc/51/16/68/553511668.db2.gz	KQKGDLCCCWKFMG-UHFFFAOYSA-N	1	0	360.462	1.377	20	30		FDEDRO
CN1CC[C@](C)(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1=O	ZINC000602178024	553534478	/nfs/dbraw/zinc/53/44/78/553534478.db2.gz	TZOVZFHNGJUYIE-HXUWFJFHSA-N	1	0	354.454	1.507	20	30		FDEDRO
Cc1noc(C)c1S(=O)(=O)N1CCC[N@@H+](C[C@H](C)CCC#N)CC1	ZINC000602430392	553579949	/nfs/dbraw/zinc/57/99/49/553579949.db2.gz	LOMGTOWUVGHFSP-CYBMUJFWSA-N	1	0	354.476	1.928	20	30		FDEDRO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1	ZINC000602701694	553624736	/nfs/dbraw/zinc/62/47/36/553624736.db2.gz	WZHRAGBLLJXSEA-LSDHHAIUSA-N	1	0	364.467	1.910	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@]1(CO)COCC2(CCC2)N1C	ZINC000602720524	553627250	/nfs/dbraw/zinc/62/72/50/553627250.db2.gz	JTVBPJHHDKWQRW-VQIMIIECSA-N	1	0	351.491	1.291	20	30		FDEDRO
Cn1cc(C[NH+]2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)c(-c2ccc(C#N)cc2)n1	ZINC000602725942	553627622	/nfs/dbraw/zinc/62/76/22/553627622.db2.gz	RRZBYGCMNKIISQ-PMACEKPBSA-N	1	0	363.421	1.443	20	30		FDEDRO
COc1cccc(OC)c1OC[C@H](O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1	ZINC000602856527	553651799	/nfs/dbraw/zinc/65/17/99/553651799.db2.gz	MYBLCJWWGNBONJ-BZUAXINKSA-N	1	0	363.458	1.362	20	30		FDEDRO
CN(C(=O)C[NH2+][C@@H]([C@H]1CCCO1)C1(CO)CCC1)C1(C#N)CCCCC1	ZINC000602892775	553663209	/nfs/dbraw/zinc/66/32/09/553663209.db2.gz	TWGMCHZXEFJIBL-AEFFLSMTSA-N	1	0	363.502	1.971	20	30		FDEDRO
CN(C(=O)C[NH2+][C@H]([C@@H]1CCCO1)C1(CO)CCC1)C1(C#N)CCCCC1	ZINC000602892776	553663240	/nfs/dbraw/zinc/66/32/40/553663240.db2.gz	TWGMCHZXEFJIBL-FUHWJXTLSA-N	1	0	363.502	1.971	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@@H](C)c3cnc(C)s3)CC2)o1	ZINC000602956197	553679456	/nfs/dbraw/zinc/67/94/56/553679456.db2.gz	MFMNNTXHQMSVGM-NSHDSACASA-N	1	0	374.470	1.619	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H](C)N(CC#N)[C@@H](C)C3)cc2)CC1	ZINC000603102874	553709004	/nfs/dbraw/zinc/70/90/04/553709004.db2.gz	ZGGBNBTYNZKMOT-HDICACEKSA-N	1	0	369.513	1.887	20	30		FDEDRO
Cc1cc(NC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)ncc1C#N	ZINC000603120245	553712395	/nfs/dbraw/zinc/71/23/95/553712395.db2.gz	MXFHJBRSKYWECQ-WBVHZDCISA-N	1	0	356.474	1.751	20	30		FDEDRO
COCC[C@H]([NH3+])Cc1cn(Cc2ccc(Br)cc2C#N)nn1	ZINC000603241779	553740448	/nfs/dbraw/zinc/74/04/48/553740448.db2.gz	NHHGRPUSDBRSFU-AWEZNQCLSA-N	1	0	364.247	1.867	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)Cn2cc(C[C@H]3CC[NH2+]C3)nn2)c1	ZINC000603186909	553726358	/nfs/dbraw/zinc/72/63/58/553726358.db2.gz	LGPPFCPBDXQBOJ-QGZVFWFLSA-N	1	0	366.469	1.994	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)Cn2cc(C[NH2+]C3CCCC3)nn2)CC1	ZINC000603190128	553727348	/nfs/dbraw/zinc/72/73/48/553727348.db2.gz	KJGSZEFLUOYACG-SFHVURJKSA-N	1	0	373.505	1.003	20	30		FDEDRO
COCC[NH2+]Cc1ccn(Cc2cn(Cc3ccc(C#N)c(C)c3)nn2)n1	ZINC000603235044	553738637	/nfs/dbraw/zinc/73/86/37/553738637.db2.gz	IGVXDPYDNDEAGY-UHFFFAOYSA-N	1	0	365.441	1.487	20	30		FDEDRO
CN(CCC[NH3+])Cc1cn(Cc2ccc(Br)cc2C#N)nn1	ZINC000603242717	553740967	/nfs/dbraw/zinc/74/09/67/553740967.db2.gz	VQIKKTSHORCUQI-UHFFFAOYSA-N	1	0	363.263	1.741	20	30		FDEDRO
C[NH+]1CCN(Cc2cn(Cc3ccc(C#N)cc3C(F)(F)F)nn2)CC1	ZINC000603252979	553743522	/nfs/dbraw/zinc/74/35/22/553743522.db2.gz	YEFPZAFZWCQBCD-UHFFFAOYSA-N	1	0	364.375	1.964	20	30		FDEDRO
N#Cc1cc(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)ncc1Br	ZINC000603287695	553755453	/nfs/dbraw/zinc/75/54/53/553755453.db2.gz	RPKOBDVRNJPLLP-NSHDSACASA-N	1	0	366.263	1.715	20	30		FDEDRO
CC1([NH+]2CCCC2)CCN(c2ccc(C#N)cc2CS(N)(=O)=O)CC1	ZINC000603413479	553782324	/nfs/dbraw/zinc/78/23/24/553782324.db2.gz	KRHPXOQRDRBFGR-UHFFFAOYSA-N	1	0	362.499	1.801	20	30		FDEDRO
N#Cc1cccc(CNC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)c1	ZINC000603435211	553788050	/nfs/dbraw/zinc/78/80/50/553788050.db2.gz	TXGQMQYILJOJGH-LJQANCHMSA-N	1	0	371.485	1.154	20	30		FDEDRO
CC[NH+](CC)CCOc1ccccc1CNS(=O)(=O)N(C)CCC#N	ZINC000603662463	553808728	/nfs/dbraw/zinc/80/87/28/553808728.db2.gz	CKAYGFZYCGMHDH-UHFFFAOYSA-N	1	0	368.503	1.587	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)CN2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1	ZINC000603848379	553820647	/nfs/dbraw/zinc/82/06/47/553820647.db2.gz	PGJDQCKAHKJVIK-AZUAARDMSA-N	1	0	359.470	1.485	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1	ZINC000607180107	554129842	/nfs/dbraw/zinc/12/98/42/554129842.db2.gz	IOGRJKRSMWUYKP-HOTGVXAUSA-N	1	0	357.520	1.682	20	30		FDEDRO
N#CCn1c(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc2ccccc21	ZINC000609171047	554346014	/nfs/dbraw/zinc/34/60/14/554346014.db2.gz	NHPKNWALEXHGKF-MRXNPFEDSA-N	1	0	367.453	1.482	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1	ZINC000609405272	554374635	/nfs/dbraw/zinc/37/46/35/554374635.db2.gz	ULOMWKLJLUVJMV-HNNXBMFYSA-N	1	0	356.426	1.496	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)cc1	ZINC000609552779	554392502	/nfs/dbraw/zinc/39/25/02/554392502.db2.gz	CNMSYLUCNJYUMW-ROUUACIJSA-N	1	0	357.454	1.632	20	30		FDEDRO
C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C1CC[NH+](C)CC1	ZINC000609583576	554397302	/nfs/dbraw/zinc/39/73/02/554397302.db2.gz	QBGITRSRBTZMOI-CQSZACIVSA-N	1	0	363.483	1.320	20	30		FDEDRO
Cc1nnc(CN2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)[nH]1	ZINC000609849561	554429826	/nfs/dbraw/zinc/42/98/26/554429826.db2.gz	VRLDUJSDODMVRD-UHFFFAOYSA-N	1	0	353.430	1.131	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]C2(CO)Cc3ccccc3C2)cc1	ZINC000610216406	554474933	/nfs/dbraw/zinc/47/49/33/554474933.db2.gz	JCKWPHUDQWKOFP-LJQANCHMSA-N	1	0	352.434	1.612	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1	ZINC000610242432	554477243	/nfs/dbraw/zinc/47/72/43/554477243.db2.gz	IXVAWHMDPOBHCS-AZUAARDMSA-N	1	0	368.481	1.708	20	30		FDEDRO
CC1(C)C[N@@H+](C2(CNC(=O)Cn3cnc(C#N)n3)CCCCC2)CCO1	ZINC000610884576	554575311	/nfs/dbraw/zinc/57/53/11/554575311.db2.gz	YBHJGHCYBBKXHR-UHFFFAOYSA-N	1	0	360.462	1.080	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)n(CCC#N)n1	ZINC000610951608	554587097	/nfs/dbraw/zinc/58/70/97/554587097.db2.gz	NPTALRLGYBDHTH-OAHLLOKOSA-N	1	0	358.446	1.131	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1N1CCN(c2ccc(C#N)nn2)CC1	ZINC000611241507	554618893	/nfs/dbraw/zinc/61/88/93/554618893.db2.gz	PQYQFRDLDMGQPI-UHFFFAOYSA-N	1	0	352.442	1.615	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cccc(C#N)c1	ZINC000611387985	554630421	/nfs/dbraw/zinc/63/04/21/554630421.db2.gz	VUFPANDKAOSVSH-OAHLLOKOSA-N	1	0	366.421	1.786	20	30		FDEDRO
C[C@@H]1COCCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000611430897	554632922	/nfs/dbraw/zinc/63/29/22/554632922.db2.gz	FRQBKEVACAYBPM-HZPDHXFCSA-N	1	0	362.499	1.568	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1	ZINC000611556092	554645673	/nfs/dbraw/zinc/64/56/73/554645673.db2.gz	CFFXXARGBKSOSA-KDOFPFPSSA-N	1	0	353.463	1.475	20	30		FDEDRO
Cn1cc(CN2CC[NH+]([C@@H]3CCOC3)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000611792720	554681432	/nfs/dbraw/zinc/68/14/32/554681432.db2.gz	NRHDWULMNOFVBP-LJQANCHMSA-N	1	0	351.454	1.865	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1	ZINC000612225578	554751556	/nfs/dbraw/zinc/75/15/56/554751556.db2.gz	CFJLIGBHXRMVLQ-UHFFFAOYSA-N	1	0	358.486	1.834	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1	ZINC000612721525	554829555	/nfs/dbraw/zinc/82/95/55/554829555.db2.gz	DXKRZVTWMGSJEL-LJQANCHMSA-N	1	0	372.513	1.343	20	30		FDEDRO
C=CCCCCNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1	ZINC000612720516	554829806	/nfs/dbraw/zinc/82/98/06/554829806.db2.gz	MOXASFBKXGJWAQ-LJQANCHMSA-N	1	0	372.513	1.391	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1	ZINC000612721524	554829859	/nfs/dbraw/zinc/82/98/59/554829859.db2.gz	DXKRZVTWMGSJEL-IBGZPJMESA-N	1	0	372.513	1.343	20	30		FDEDRO
CC1(C)CN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1CCO	ZINC000614924075	555138744	/nfs/dbraw/zinc/13/87/44/555138744.db2.gz	ZLINKTWCGJXRFK-SFHVURJKSA-N	1	0	356.470	1.442	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)OCCCO2	ZINC000615152862	555167971	/nfs/dbraw/zinc/16/79/71/555167971.db2.gz	AAUYBKIFNNVOET-UHFFFAOYSA-N	1	0	374.441	1.480	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1	ZINC000615186940	555170572	/nfs/dbraw/zinc/17/05/72/555170572.db2.gz	BAHGGYPVIVPTOH-CYBMUJFWSA-N	1	0	358.442	1.742	20	30		FDEDRO
CC[C@@H]([NH2+][C@H](C)C(=O)NC1(C#N)CCC1)c1ccccc1OCC(=O)NC	ZINC000615794623	555241744	/nfs/dbraw/zinc/24/17/44/555241744.db2.gz	GJYNSSNBMYGALB-GDBMZVCRSA-N	1	0	372.469	1.803	20	30		FDEDRO
CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1	ZINC000615989396	555261373	/nfs/dbraw/zinc/26/13/73/555261373.db2.gz	RWFLNMHUJXXFNS-MRXNPFEDSA-N	1	0	373.505	1.306	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1	ZINC000617109484	555385962	/nfs/dbraw/zinc/38/59/62/555385962.db2.gz	MNBQFAKZCGIBCU-SFHVURJKSA-N	1	0	351.491	1.465	20	30		FDEDRO
C[C@@H]1OCC[C@@]1(C)[NH2+]CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000617252599	555406697	/nfs/dbraw/zinc/40/66/97/555406697.db2.gz	LMZSRZQLAPUOIT-ZAAXVRCTSA-N	1	0	374.460	1.692	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1	ZINC000618816301	555680924	/nfs/dbraw/zinc/68/09/24/555680924.db2.gz	MRYLQBFGNPYHJC-WMZOPIPTSA-N	1	0	369.469	1.432	20	30		FDEDRO
Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@@](C)(C#N)C1	ZINC000619496340	555789042	/nfs/dbraw/zinc/78/90/42/555789042.db2.gz	UHQSPXDGTVCYAZ-INIZCTEOSA-N	1	0	353.492	1.376	20	30		FDEDRO
N#Cc1cnn(-c2ccc(C(=O)NCC34CCC[NH+]3CCC4)cc2)c1N	ZINC000619574080	555801151	/nfs/dbraw/zinc/80/11/51/555801151.db2.gz	NEXWZBZEDIPUTB-UHFFFAOYSA-N	1	0	350.426	1.684	20	30		FDEDRO
N#Cc1cccc(CCNC(=O)N2CC[NH+](CC3CCOCC3)CC2)c1	ZINC000619600308	555806666	/nfs/dbraw/zinc/80/66/66/555806666.db2.gz	CVEXDLCMONDDQH-UHFFFAOYSA-N	1	0	356.470	1.855	20	30		FDEDRO
C[C@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)n1cnc(C#N)n1	ZINC000619614661	555809633	/nfs/dbraw/zinc/80/96/33/555809633.db2.gz	JQHOUKJSGMXVNX-UONOGXRCSA-N	1	0	353.430	1.448	20	30		FDEDRO
C[C@H](C(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1)n1cnc(C#N)n1	ZINC000619615121	555809638	/nfs/dbraw/zinc/80/96/38/555809638.db2.gz	CPGHHGOGTKXWPB-CYBMUJFWSA-N	1	0	354.414	1.306	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC1(C)C	ZINC000619661100	555818866	/nfs/dbraw/zinc/81/88/66/555818866.db2.gz	VJCGXRFSWHJENA-GOSISDBHSA-N	1	0	355.486	1.871	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N1CCC[N@H+](Cc2ccccc2C)CC1	ZINC000619707305	555823803	/nfs/dbraw/zinc/82/38/03/555823803.db2.gz	YGBHPYOKKSKXTL-UHFFFAOYSA-N	1	0	364.515	1.983	20	30		FDEDRO
Cc1ccc(CNS(=O)(=O)N(C)C[C@H](C)C#N)c(N2CCCC2)n1	ZINC000619713000	555824707	/nfs/dbraw/zinc/82/47/07/555824707.db2.gz	KCVHTMCSYLVBGL-CYBMUJFWSA-N	1	0	351.476	1.416	20	30		FDEDRO
Cn1cc(C[NH2+]C2CC(NS(C)(=O)=O)C2)c(-c2ccc(C#N)cc2)n1	ZINC000619748030	555830298	/nfs/dbraw/zinc/83/02/98/555830298.db2.gz	VITBDTLSXQLCCD-UHFFFAOYSA-N	1	0	359.455	1.129	20	30		FDEDRO
C=CCOc1c(Cl)cc(C[NH2+]CCNS(=O)(=O)CC)cc1OC	ZINC000623379435	556411408	/nfs/dbraw/zinc/41/14/08/556411408.db2.gz	PNVXHCAQXNSBRN-UHFFFAOYSA-N	1	0	362.879	1.942	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C(C)C)C1	ZINC000623862227	556502898	/nfs/dbraw/zinc/50/28/98/556502898.db2.gz	PFDZBGGLMPCYID-GOSISDBHSA-N	1	0	358.486	1.841	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)[C@H]1C[C@@H](C(N)=O)C1	ZINC000624981110	556685181	/nfs/dbraw/zinc/68/51/81/556685181.db2.gz	SVEAUAINPNNIBP-WCVJEAGWSA-N	1	0	374.489	1.090	20	30		FDEDRO
C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CCC(C)([NH+]2CCOCC2)CC1	ZINC000624999605	556688696	/nfs/dbraw/zinc/68/86/96/556688696.db2.gz	ZVPOHCZZFCPPES-UHFFFAOYSA-N	1	0	371.489	1.935	20	30		FDEDRO
CCO[C@H]1C[C@](CO)([NH2+]CC#CCN2C(=O)c3ccccc3C2=O)C1(C)C	ZINC000625362069	556783570	/nfs/dbraw/zinc/78/35/70/556783570.db2.gz	WCRLCZCCNHQAFV-LAUBAEHRSA-N	1	0	370.449	1.442	20	30		FDEDRO
COC1([C@@H](C)[NH2+]CC#CCN2C(=O)c3ccccc3C2=O)CCOCC1	ZINC000625482767	556823511	/nfs/dbraw/zinc/82/35/11/556823511.db2.gz	KLVVUCZMEMZLPD-OAHLLOKOSA-N	1	0	356.422	1.460	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1	ZINC000625847214	556937823	/nfs/dbraw/zinc/93/78/23/556937823.db2.gz	RADRQCZHMCWMNS-UKRRQHHQSA-N	1	0	366.487	1.755	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(COC)c(OC)c2)CC1	ZINC000627366111	557372996	/nfs/dbraw/zinc/37/29/96/557372996.db2.gz	HQIKAOYGWXUSOY-UHFFFAOYSA-N	1	0	361.442	1.547	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1	ZINC000629806225	557839693	/nfs/dbraw/zinc/83/96/93/557839693.db2.gz	SNKGUTCAAQTDPI-RDBSUJKOSA-N	1	0	361.408	1.787	20	30		FDEDRO
C=C(C)C[C@@H]1NC(=O)N(CCN2CC[NH+](Cc3ccccc3)CC2)C1=O	ZINC000630964761	557963952	/nfs/dbraw/zinc/96/39/52/557963952.db2.gz	JSDMXNDZLMHMPP-SFHVURJKSA-N	1	0	356.470	1.691	20	30		FDEDRO
CN1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1=O	ZINC000481544200	568050496	/nfs/dbraw/zinc/05/04/96/568050496.db2.gz	ATKNHUJUFZEIAV-KRWDZBQOSA-N	1	0	357.458	1.252	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC000636832175	568122618	/nfs/dbraw/zinc/12/26/18/568122618.db2.gz	IYQYBVZPYFFBOP-HOTGVXAUSA-N	1	0	351.491	1.199	20	30		FDEDRO
COC(=O)[C@@H]1CN(C)CCN(c2ccc(C#N)cc2Br)C1	ZINC000413499694	568418852	/nfs/dbraw/zinc/41/88/52/568418852.db2.gz	NSACGZCAGGVAQU-GFCCVEGCSA-N	1	0	352.232	1.862	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(OC(C)C)c(-c3nn[nH]n3)c2)CC1	ZINC000819702288	607406058	/nfs/dbraw/zinc/40/60/58/607406058.db2.gz	XDDJBUZXXLQNAX-UHFFFAOYSA-N	1	0	368.441	1.938	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)NC(C)(C)CN(C)Cc1ccccc1	ZINC000272873431	674483462	/nfs/dbraw/zinc/48/34/62/674483462.db2.gz	SLTRNOSLIRYEEC-UHFFFAOYSA-N	1	0	367.515	1.797	20	30		FDEDRO
C[NH+]1CCN(c2cc(C[NH2+][C@@H](C(=O)[O-])c3ccc(C#N)cc3)ccn2)CC1	ZINC000737528680	600593676	/nfs/dbraw/zinc/59/36/76/600593676.db2.gz	LNJLVMFEJAQCGD-LJQANCHMSA-N	1	0	365.437	1.621	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)C#Cc1ccccc1	ZINC000821586007	606136521	/nfs/dbraw/zinc/13/65/21/606136521.db2.gz	FRWCRTCRKYOIHV-UHFFFAOYSA-N	1	0	374.448	1.809	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)cn1C)C(C)C	ZINC000819739691	606288606	/nfs/dbraw/zinc/28/86/06/606288606.db2.gz	DGVCWEBLAKGPKE-INIZCTEOSA-N	1	0	357.462	1.634	20	30		FDEDRO
C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1	ZINC000824763758	608034126	/nfs/dbraw/zinc/03/41/26/608034126.db2.gz	OYRHQWSSBYHCHT-NSHDSACASA-N	1	0	351.418	1.669	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1	ZINC000824531703	608481479	/nfs/dbraw/zinc/48/14/79/608481479.db2.gz	QQNSXMHXBPYSIN-VBHSOAQHSA-N	1	0	355.446	1.960	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1	ZINC000825399373	608530403	/nfs/dbraw/zinc/53/04/03/608530403.db2.gz	RFWBFIKKJABVPT-CYBMUJFWSA-N	1	0	353.430	1.454	20	30		FDEDRO
Cc1nn(-c2cc[nH+]cc2)cc1C=NNCc1ccc(-c2nn[nH]n2)cc1	ZINC000826333038	609469835	/nfs/dbraw/zinc/46/98/35/609469835.db2.gz	RFPCJIXCWJHPIA-UHFFFAOYSA-N	1	0	359.397	1.880	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cc(Cl)n(C)n2)C[C@H]1C	ZINC001104402291	782187558	/nfs/dbraw/zinc/18/75/58/782187558.db2.gz	FGYHLZWNLHYVMW-ZIAGYGMSSA-N	1	0	352.866	1.411	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H](OCCO)C1)C(C)C	ZINC000275791630	674640137	/nfs/dbraw/zinc/64/01/37/674640137.db2.gz	VUWKFYGCSJIPPD-QZTJIDSGSA-N	1	0	353.507	1.868	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NC[C@@H](CO)Cc1cccc(Br)c1	ZINC000277504268	674956405	/nfs/dbraw/zinc/95/64/05/674956405.db2.gz	VUCUDRBHNVCZFI-YPMHNXCESA-N	1	0	358.280	1.539	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1	ZINC000277837103	675050397	/nfs/dbraw/zinc/05/03/97/675050397.db2.gz	RZIGWTGFRBNZPT-FMKPAKJESA-N	1	0	358.360	1.933	20	30		FDEDRO
C#CCOc1ccccc1C[NH2+]C1CCN(CCS(C)(=O)=O)CC1	ZINC000068989039	671375442	/nfs/dbraw/zinc/37/54/42/671375442.db2.gz	RXPAPYPSENATTP-UHFFFAOYSA-N	1	0	350.484	1.297	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)NCc1ccccc1)N1C[C@H](C)C[C@@H](C)C1	ZINC000073068811	671398611	/nfs/dbraw/zinc/39/86/11/671398611.db2.gz	ZZQFYOSTPKWJNW-HZPDHXFCSA-N	1	0	366.531	1.659	20	30		FDEDRO
CCS(=O)(=O)CCNC(=[NH+]C)N1CCN(c2cccc(Cl)c2)CC1	ZINC000073354064	671400713	/nfs/dbraw/zinc/40/07/13/671400713.db2.gz	RJOIUSHRIYCIEF-UHFFFAOYSA-N	1	0	372.922	1.472	20	30		FDEDRO
C[NH+]=C(NCCc1sc(C)nc1C)N1CC[C@@H](CN2CCOCC2)C1	ZINC000086913988	671484288	/nfs/dbraw/zinc/48/42/88/671484288.db2.gz	LLWSTVZVCZTEEZ-INIZCTEOSA-N	1	0	365.547	1.532	20	30		FDEDRO
C[NH+]=C(NCC1(SC)CCOCC1)N1CC[C@@H](CN2CCOCC2)C1	ZINC000086766503	671484390	/nfs/dbraw/zinc/48/43/90/671484390.db2.gz	KHCMBEDBUWBWMM-INIZCTEOSA-N	1	0	370.563	1.128	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000287362864	675915100	/nfs/dbraw/zinc/91/51/00/675915100.db2.gz	QLPLGNLKJMFKTF-DZGCQCFKSA-N	1	0	362.455	1.684	20	30		FDEDRO
[NH2+]=C(NC[C@@H](O)COCC1CC1)N1CCN(c2ccc(F)cc2)CC1	ZINC000104183289	671595001	/nfs/dbraw/zinc/59/50/01/671595001.db2.gz	INVUJACPUFXJQE-QGZVFWFLSA-N	1	0	350.438	1.050	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1CC(N)=NOCC(=O)N1CCc2sccc2C1	ZINC000106437970	671607054	/nfs/dbraw/zinc/60/70/54/671607054.db2.gz	UFXVHQSCZMFDBA-ZDUSSCGKSA-N	1	0	350.488	1.796	20	30		FDEDRO
CN(Cc1ccc(F)cc1)C(=O)CON=C(N)C[NH+]1CCCCCC1	ZINC000111178697	671631072	/nfs/dbraw/zinc/63/10/72/671631072.db2.gz	HFVXTJVWYWQQBA-UHFFFAOYSA-N	1	0	350.438	1.949	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1CC(N)=NOCc1ccc(S(=O)(=O)N(C)C)cc1	ZINC000120282602	671687364	/nfs/dbraw/zinc/68/73/64/671687364.db2.gz	LENBRFJNIYHPIX-AWEZNQCLSA-N	1	0	368.503	1.600	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCN(c2nc3cc(Cl)ccn3c2C#N)CC1	ZINC000287858638	675930251	/nfs/dbraw/zinc/93/02/51/675930251.db2.gz	MSXASBGMCCYSRA-UHFFFAOYSA-N	1	0	360.849	1.460	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1	ZINC000121344805	671703048	/nfs/dbraw/zinc/70/30/48/671703048.db2.gz	HKAOOGJYDQLVRM-CYBMUJFWSA-N	1	0	370.471	1.729	20	30		FDEDRO
[NH2+]=C(NC[C@@]1(CCO)CCOC1)N1CCN(c2ccc(F)cc2)CC1	ZINC000126129611	671756063	/nfs/dbraw/zinc/75/60/63/671756063.db2.gz	MMWHXCYZZULCRM-GOSISDBHSA-N	1	0	350.438	1.052	20	30		FDEDRO
CN(CCNC(=[NH2+])NCCc1cccs1)S(=O)(=O)c1cccs1	ZINC000151408093	671864598	/nfs/dbraw/zinc/86/45/98/671864598.db2.gz	LNDOZKRPMICXNZ-UHFFFAOYSA-N	1	0	372.541	1.577	20	30		FDEDRO
C[NH+]=C(NCC(=O)NC(C)C)N[C@H]1CCN(c2ncccc2Cl)C1	ZINC000158950772	671985344	/nfs/dbraw/zinc/98/53/44/671985344.db2.gz	IGANKBAEVIUKRT-LBPRGKRZSA-N	1	0	352.870	1.003	20	30		FDEDRO
C[NH+]=C(NCC(=O)NC(C)C)N[C@@H]1CCN(c2ncccc2Cl)C1	ZINC000158950642	671985516	/nfs/dbraw/zinc/98/55/16/671985516.db2.gz	IGANKBAEVIUKRT-GFCCVEGCSA-N	1	0	352.870	1.003	20	30		FDEDRO
[NH2+]=C(NCc1nnc(-c2ccc(Br)cc2)[nH]1)N1CCOCC1	ZINC000170914666	672048294	/nfs/dbraw/zinc/04/82/94/672048294.db2.gz	OFVAPXWRWUYOFI-UHFFFAOYSA-N	1	0	365.235	1.381	20	30		FDEDRO
C=C(Br)CNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000171198858	672052111	/nfs/dbraw/zinc/05/21/11/672052111.db2.gz	ZSRAISFMNUKCBN-UHFFFAOYSA-N	1	0	359.312	1.753	20	30		FDEDRO
CC[C@@H](CNC(NCCN1CCOCC1)=[NH+]C)Oc1cccc(F)c1	ZINC000176948206	672119479	/nfs/dbraw/zinc/11/94/79/672119479.db2.gz	BJKKICVSTOXUIN-INIZCTEOSA-N	1	0	352.454	1.480	20	30		FDEDRO
C[NH+]=C(NCc1ccc(Cl)s1)N[C@H]1CCc2nc(COC)nn2C1	ZINC000179214206	672156149	/nfs/dbraw/zinc/15/61/49/672156149.db2.gz	IEURUUKIEMIHEK-JTQLQIEISA-N	1	0	368.894	1.819	20	30		FDEDRO
C[C@H]1CCCN(C(=[NH2+])NCc2ccc(N3CCCS3(=O)=O)cc2)C1	ZINC000185587491	672261605	/nfs/dbraw/zinc/26/16/05/672261605.db2.gz	LMGJLNVLOOYLBC-AWEZNQCLSA-N	1	0	350.488	1.773	20	30		FDEDRO
C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@H]1C	ZINC000246207314	672509353	/nfs/dbraw/zinc/50/93/53/672509353.db2.gz	RHGBJPNFEAWOAH-NEPJUHHUSA-N	1	0	357.863	1.287	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1CC(N)=NOCC(=O)N1CCC[C@@H](C(F)(F)F)C1	ZINC000248761523	672539068	/nfs/dbraw/zinc/53/90/68/672539068.db2.gz	DOWIMPZFEYLEPM-CHWSQXEVSA-N	1	0	364.412	1.951	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1	ZINC000249145079	672546541	/nfs/dbraw/zinc/54/65/41/672546541.db2.gz	WTCIUFCMSCXBHJ-KGLIPLIRSA-N	1	0	351.472	1.966	20	30		FDEDRO
C[NH+]=C(NCc1ccc(S(=O)(=O)N(C)C)cc1)N(C)Cc1ccon1	ZINC000261657849	672644385	/nfs/dbraw/zinc/64/43/85/672644385.db2.gz	ATEOPESQBHKIGC-UHFFFAOYSA-N	1	0	365.459	1.132	20	30		FDEDRO
COCCNC(=[NH2+])NCc1ccc(I)c(Cl)c1	ZINC000261673558	672648197	/nfs/dbraw/zinc/64/81/97/672648197.db2.gz	HESQKTKPYYAZEZ-UHFFFAOYSA-N	1	0	367.618	1.995	20	30		FDEDRO
CC[C@]1(C)CCN(C(NC[C@@]2(N3CCOCC3)CCSC2)=[NH+]C)C1	ZINC000261685116	672650840	/nfs/dbraw/zinc/65/08/40/672650840.db2.gz	DMTYQLKWFMZUOS-MSOLQXFVSA-N	1	0	354.564	1.892	20	30		FDEDRO
C[NH+]=C(NCC(C)(C)N1CCOCC1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2	ZINC000261686281	672650874	/nfs/dbraw/zinc/65/08/74/672650874.db2.gz	RFKPJZHHTOPREU-ARFHVFGLSA-N	1	0	350.507	1.220	20	30		FDEDRO
C[NH+]=C(NC[C@H](O)C(F)(F)F)N(C)Cc1cc(Br)cn1C	ZINC000261758937	672666369	/nfs/dbraw/zinc/66/63/69/672666369.db2.gz	MSEHMYHKYWXVRL-JTQLQIEISA-N	1	0	371.201	1.718	20	30		FDEDRO
CC[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N[C@@H]1C[C@H](OC)C1(C)C	ZINC000261809846	672675631	/nfs/dbraw/zinc/67/56/31/672675631.db2.gz	SLZNVHLNIRTNRA-CABCVRRESA-N	1	0	374.551	1.027	20	30		FDEDRO
C[NH+]=C(NCc1nccn1C)N(C)Cc1cc(Br)cn1C	ZINC000261853700	672683491	/nfs/dbraw/zinc/68/34/91/672683491.db2.gz	YIXHGMXTQDWBCL-UHFFFAOYSA-N	1	0	353.268	1.729	20	30		FDEDRO
C[NH+]=C(NCc1nccn1C(F)F)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000261862843	672684952	/nfs/dbraw/zinc/68/49/52/672684952.db2.gz	YPNDWUPEMCQIMM-ZDUSSCGKSA-N	1	0	356.421	1.008	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(S(C)(=O)=O)cc1)N1CC[C@@]2(CCOC2)C1	ZINC000261954578	672700864	/nfs/dbraw/zinc/70/08/64/672700864.db2.gz	IJYQKBPYRVPRIO-GOSISDBHSA-N	1	0	365.499	1.668	20	30		FDEDRO
CCCNC(=[NH2+])NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1	ZINC000261967615	672703776	/nfs/dbraw/zinc/70/37/76/672703776.db2.gz	BZAHKECERKJBBJ-AWEZNQCLSA-N	1	0	352.504	1.922	20	30		FDEDRO
[NH2+]=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCOCC1	ZINC000261970740	672704789	/nfs/dbraw/zinc/70/47/89/672704789.db2.gz	DAMGJMONFXZOEW-UHFFFAOYSA-N	1	0	366.487	1.008	20	30		FDEDRO
[NH2+]=C(NCC1(c2ccc3c(c2)OCO3)CCOCC1)N1CCSCC1	ZINC000261984647	672707082	/nfs/dbraw/zinc/70/70/82/672707082.db2.gz	JISPINLZTZDBET-UHFFFAOYSA-N	1	0	363.483	1.827	20	30		FDEDRO
CC(C)NS(=O)(=O)Cc1ccc(CNC(=[NH2+])N2CCSCC2)cc1	ZINC000261998742	672708910	/nfs/dbraw/zinc/70/89/10/672708910.db2.gz	OQCCFGDBYHOJJC-UHFFFAOYSA-N	1	0	370.544	1.378	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(CC[NH2+]C)CC2)cc1	ZINC000262118490	672729808	/nfs/dbraw/zinc/72/98/08/672729808.db2.gz	VIPRIBMCLGJYBR-UHFFFAOYSA-N	1	0	365.499	1.613	20	30		FDEDRO
CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@H]1CCOC2(CCSCC2)C1	ZINC000262282951	672761520	/nfs/dbraw/zinc/76/15/20/672761520.db2.gz	JMRDHJNOPDSNMU-AWEZNQCLSA-N	1	0	356.536	1.463	20	30		FDEDRO
C[NH+]=C(NCC(=O)N(C)C)N[C@H]1CCCN(c2ccccc2Cl)C1	ZINC000262286142	672761666	/nfs/dbraw/zinc/76/16/66/672761666.db2.gz	KEPJTLXHLNFDNE-ZDUSSCGKSA-N	1	0	351.882	1.562	20	30		FDEDRO
C=C(C)CNC(NCC(=O)N(C)C)=[NH+][C@@H]1CCOC2(CCSCC2)C1	ZINC000262351604	672775156	/nfs/dbraw/zinc/77/51/56/672775156.db2.gz	YYBFOKATLQEWFY-OAHLLOKOSA-N	1	0	368.547	1.631	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCC2(C1)CCOCC2	ZINC000262352155	672775289	/nfs/dbraw/zinc/77/52/89/672775289.db2.gz	FJEXEBGHKYQZCQ-HNNXBMFYSA-N	1	0	357.520	1.278	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCOc2ccc(F)cc21	ZINC000262355721	672775945	/nfs/dbraw/zinc/77/59/45/672775945.db2.gz	FVWRKFQERZXQRV-FZMZJTMJSA-N	1	0	355.435	1.249	20	30		FDEDRO
[NH2+]=C(NC[C@@H]1CCCS1(=O)=O)Nc1cccc(OC(F)(F)F)c1	ZINC000262361762	672776551	/nfs/dbraw/zinc/77/65/51/672776551.db2.gz	IYVDUPWLXQNWJO-NSHDSACASA-N	1	0	351.350	1.889	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](C2CCOCC2)C1	ZINC000262362330	672777090	/nfs/dbraw/zinc/77/70/90/672777090.db2.gz	HCSAESYXQXHCSA-GOEBONIOSA-N	1	0	357.520	1.135	20	30		FDEDRO
C=C(C)CNC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+][C@@H]1CCOC2(CCC2)C1	ZINC000262397734	672782991	/nfs/dbraw/zinc/78/29/91/672782991.db2.gz	NEUIELOOJMCOSM-JKSUJKDBSA-N	1	0	369.531	1.634	20	30		FDEDRO
C[C@@H]1CN(C(=[NH2+])NCCN2CCN(c3cccc(Cl)c3)CC2)CCO1	ZINC000262420616	672786551	/nfs/dbraw/zinc/78/65/51/672786551.db2.gz	AYIGMUYGRFYSKB-OAHLLOKOSA-N	1	0	365.909	1.497	20	30		FDEDRO
C[C@@H]1CCN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C[C@@H]2CCOC2)C[C@H]1C	ZINC000262457486	672793100	/nfs/dbraw/zinc/79/31/00/672793100.db2.gz	WXVKGRQOHJNUOV-NCOADZHNSA-N	1	0	371.547	1.381	20	30		FDEDRO
CC[NH+]=C(NC[C@]1(N2CCOCC2)CCSC1)N1CCC[C@@H](C)C1	ZINC000262574442	672809598	/nfs/dbraw/zinc/80/95/98/672809598.db2.gz	NTOSPWBAJQSFJV-SJLPKXTDSA-N	1	0	354.564	1.892	20	30		FDEDRO
C[C@@H]1CCCN(C(=[NH2+])NCCN(C)S(=O)(=O)c2ccc(F)cc2)C1	ZINC000262820949	672851627	/nfs/dbraw/zinc/85/16/27/672851627.db2.gz	PRTICEODQMMAQF-CYBMUJFWSA-N	1	0	356.467	1.493	20	30		FDEDRO
O=S1(=O)CC[C@@](O)(C[NH+]=C(Nc2ccccc2)N2CCCCC2)C1	ZINC000263024686	672858654	/nfs/dbraw/zinc/85/86/54/672858654.db2.gz	AJUFMZXXIOEIPU-QGZVFWFLSA-N	1	0	351.472	1.490	20	30		FDEDRO
[NH2+]=C(NCCS(=O)(=O)C1CCOCC1)Nc1cccc2c1CCCC2	ZINC000263167151	672864968	/nfs/dbraw/zinc/86/49/68/672864968.db2.gz	RLRAGJVHMVODBW-UHFFFAOYSA-N	1	0	365.499	1.886	20	30		FDEDRO
COc1ccccc1CNC(=[NH2+])NCCS(=O)(=O)Cc1ccccc1	ZINC000264134331	672902521	/nfs/dbraw/zinc/90/25/21/672902521.db2.gz	ZFWAZXWVDLPTRD-UHFFFAOYSA-N	1	0	361.467	1.715	20	30		FDEDRO
CCCCNC(=[NH2+])NCC1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000264136191	672903048	/nfs/dbraw/zinc/90/30/48/672903048.db2.gz	ZSCQQXXDRBXEGN-UHFFFAOYSA-N	1	0	352.504	1.792	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Cc2cccc(NS(C)(=O)=O)c2)CC1	ZINC000264458298	672913925	/nfs/dbraw/zinc/91/39/25/672913925.db2.gz	RBPWGVBLCQQESH-UHFFFAOYSA-N	1	0	351.472	1.367	20	30		FDEDRO
CCCCCCNC(=[NH2+])NCc1cccc(S(=O)(=O)NCCOC)c1	ZINC000267426965	673302802	/nfs/dbraw/zinc/30/28/02/673302802.db2.gz	LQMBBGMLLTUYOC-UHFFFAOYSA-N	1	0	370.519	1.596	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2cncc(C#N)c2)C[C@@H]1[NH+]1CCCC1	ZINC000289605781	676157451	/nfs/dbraw/zinc/15/74/51/676157451.db2.gz	YAXZCAWOOSZBLI-GJZGRUSLSA-N	1	0	352.485	1.154	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CCN2CCC([NH+]3CCCCC3)CC2)nc1	ZINC000290332539	676198543	/nfs/dbraw/zinc/19/85/43/676198543.db2.gz	OZGZXNAGZWACDA-UHFFFAOYSA-N	1	0	362.499	1.677	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+](C)C[C@H](O)COCc2ccccc2Cl)C1=O	ZINC000281500640	675524730	/nfs/dbraw/zinc/52/47/30/675524730.db2.gz	YBDWYVOVOADDMK-RDJZCZTQSA-N	1	0	352.862	1.936	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CCOC1)C(C)C	ZINC000284012485	675668034	/nfs/dbraw/zinc/66/80/34/675668034.db2.gz	KQPHHLPZRKNHEL-SJORKVTESA-N	1	0	351.491	1.296	20	30		FDEDRO
COc1ccc([C@H](CN(C)C)NS(=O)(=O)N(C)C[C@@H](C)C#N)cc1	ZINC000284118623	675672063	/nfs/dbraw/zinc/67/20/63/675672063.db2.gz	XJVBPEPYMWDBGO-BBRMVZONSA-N	1	0	354.476	1.224	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)NC[C@H]1CCSC1)C(C)C	ZINC000284158407	675673112	/nfs/dbraw/zinc/67/31/12/675673112.db2.gz	SVLHPJOERRZFCX-CVEARBPZSA-N	1	0	353.532	1.671	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNCc1nccn1S(=O)(=O)N(C)C)C(C)C	ZINC000290795728	676232849	/nfs/dbraw/zinc/23/28/49/676232849.db2.gz	DQEKKMXBLJXADL-INIZCTEOSA-N	1	0	369.535	1.326	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1sccc1S(=O)(=O)N1CCCC1	ZINC000293925125	676370625	/nfs/dbraw/zinc/37/06/25/676370625.db2.gz	HIOHHXSEKVVDNZ-UHFFFAOYSA-N	1	0	369.512	1.218	20	30		FDEDRO
C=C(C)COc1cc(C[NH2+]C[C@]2(O)CCS(=O)(=O)C2)ccc1OC	ZINC000294900757	676398182	/nfs/dbraw/zinc/39/81/82/676398182.db2.gz	XELKYNHDKLKKHK-QGZVFWFLSA-N	1	0	355.456	1.289	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@@](C)(C(N)=O)C(C)C)c(OC)c1	ZINC000297312854	676425737	/nfs/dbraw/zinc/42/57/37/676425737.db2.gz	BVHFDVGLKIPLDC-DNVCBOLYSA-N	1	0	350.459	1.653	20	30		FDEDRO
CC[C@H](CNC(NCCN1CCOCC1)=[NH+]C)Oc1ccccc1F	ZINC000304755064	676544307	/nfs/dbraw/zinc/54/43/07/676544307.db2.gz	ZEGOBNWLYNMCSL-OAHLLOKOSA-N	1	0	352.454	1.480	20	30		FDEDRO
CC(C)(CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)S(C)(=O)=O	ZINC000304749524	676544448	/nfs/dbraw/zinc/54/44/48/676544448.db2.gz	WQHJSZBYQLOCFF-UHFFFAOYSA-N	1	0	367.393	1.813	20	30		FDEDRO
CC(C)c1cccc(NC(=[NH2+])NCCNS(=O)(=O)Cc2ccon2)c1	ZINC000304792212	676544516	/nfs/dbraw/zinc/54/45/16/676544516.db2.gz	LAUXRUPHASKKFL-UHFFFAOYSA-N	1	0	365.459	1.644	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@](C)(O)c2ccsc2)CC1	ZINC000304785345	676544565	/nfs/dbraw/zinc/54/45/65/676544565.db2.gz	HZGNXGXKWBNBBK-KRWDZBQOSA-N	1	0	368.503	1.823	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](O)c2ccccc2Cl)CC1	ZINC000304759492	676544596	/nfs/dbraw/zinc/54/45/96/676544596.db2.gz	RGSXJXFUYUYDOR-HNNXBMFYSA-N	1	0	368.865	1.899	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1	ZINC000305260587	676545011	/nfs/dbraw/zinc/54/50/11/676545011.db2.gz	NZDLJBUTOKFDSF-RRFJBIMHSA-N	1	0	350.463	1.469	20	30		FDEDRO
NS(=O)(=O)C[C@@H]1CCCN1C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1	ZINC000328685746	676602168	/nfs/dbraw/zinc/60/21/68/676602168.db2.gz	XSFALSYEDPTBJY-HOTGVXAUSA-N	1	0	372.535	1.450	20	30		FDEDRO
CS(=O)(=O)[C@H]1CCCN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1	ZINC000328700578	676602920	/nfs/dbraw/zinc/60/29/20/676602920.db2.gz	ITIQMQWSHSGKMT-INIZCTEOSA-N	1	0	357.520	1.674	20	30		FDEDRO
C[C@H](NC(=O)CN1CCC[C@@H]([NH+]2CCCC2)C1)C(=O)N1CCCCC1	ZINC000328744371	676604895	/nfs/dbraw/zinc/60/48/95/676604895.db2.gz	KLIXFJFPZHBFPU-DLBZAZTESA-N	1	0	350.507	1.904	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2CCN(S(C)(=O)=O)CC2)C[C@@H]1C	ZINC000328753629	676605294	/nfs/dbraw/zinc/60/52/94/676605294.db2.gz	NVXQWCIIGFUGRZ-HOCLYGCPSA-N	1	0	374.551	1.377	20	30		FDEDRO
CS(=O)(=O)N1CCC[C@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)C1	ZINC000328794927	676607239	/nfs/dbraw/zinc/60/72/39/676607239.db2.gz	BRYTWYJPSSLARJ-HNNXBMFYSA-N	1	0	372.535	1.275	20	30		FDEDRO
CS(=O)(=O)C[C@@H]1CCCN(C(=O)NC2CC[NH+](CC3CC3)CC2)C1	ZINC000328834860	676608965	/nfs/dbraw/zinc/60/89/65/676608965.db2.gz	LZVDHEMXBYJAEY-OAHLLOKOSA-N	1	0	357.520	1.531	20	30		FDEDRO
CC(C)C(=O)Nc1nc(CC(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)cs1	ZINC000328936094	676612648	/nfs/dbraw/zinc/61/26/48/676612648.db2.gz	CNPWBVGLJAHUOE-UONOGXRCSA-N	1	0	366.487	1.861	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)[N@H+](C)C1	ZINC000328947357	676613360	/nfs/dbraw/zinc/61/33/60/676613360.db2.gz	BLJQDZXDUKGVQS-HOTGVXAUSA-N	1	0	367.471	1.402	20	30		FDEDRO
C[N@H+](CC(=O)NC[C@@H]1CCn2ncc(C(N)=O)c2C1)[C@H]1CCSC1	ZINC000328993064	676615146	/nfs/dbraw/zinc/61/51/46/676615146.db2.gz	FWMJOZKHGPBMIK-NEPJUHHUSA-N	1	0	351.476	1.723	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@]1(C)O	ZINC000329040359	676617156	/nfs/dbraw/zinc/61/71/56/676617156.db2.gz	HZKXZLREJWLZQD-NTDBWNAOSA-N	1	0	352.523	1.552	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H]3CCC[C@@H]3C(=O)NC)C2)CC1	ZINC000329068865	676618079	/nfs/dbraw/zinc/61/80/79/676618079.db2.gz	XTSWMKUPRULEIY-OWCLPIDISA-N	1	0	351.495	1.367	20	30		FDEDRO
CC(=O)N1CCCC[C@@H]1C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000329089904	676619351	/nfs/dbraw/zinc/61/93/51/676619351.db2.gz	WIDTURZFTUXONC-GOSISDBHSA-N	1	0	350.507	1.903	20	30		FDEDRO
O=C(NCC1CC[NH+](C2CC2)CC1)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O	ZINC000329195363	676624474	/nfs/dbraw/zinc/62/44/74/676624474.db2.gz	SHPFVNZTHYEZNO-KSZLIROESA-N	1	0	351.491	1.637	20	30		FDEDRO
CC[C@H](NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C)C(=O)N1CCOCC1	ZINC000329290919	676631310	/nfs/dbraw/zinc/63/13/10/676631310.db2.gz	QSMISQACBKSVIG-OAGGEKHMSA-N	1	0	352.479	1.096	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1CSCN1C(=O)CC(C)(C)C	ZINC000329384524	676636500	/nfs/dbraw/zinc/63/65/00/676636500.db2.gz	RRHMFGSFYOCGRQ-ZIAGYGMSSA-N	1	0	356.536	1.526	20	30		FDEDRO
O=C(N[C@H]1CCCCNC1=O)N1CCC(OCC[NH+]2CCCC2)CC1	ZINC000329483105	676640715	/nfs/dbraw/zinc/64/07/15/676640715.db2.gz	FAXRJWLMOKRGAW-INIZCTEOSA-N	1	0	352.479	1.986	20	30		FDEDRO
C[C@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000329515029	676642153	/nfs/dbraw/zinc/64/21/53/676642153.db2.gz	OHRUARCDPHKBBI-DZGCQCFKSA-N	1	0	372.535	1.511	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCCC2(O)CCC2)CC1	ZINC000329532031	676642854	/nfs/dbraw/zinc/64/28/54/676642854.db2.gz	WXJQHPPPCLCMST-CALCHBBNSA-N	1	0	352.523	1.696	20	30		FDEDRO
C[C@H](O)CN1CCN(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1	ZINC000329541919	676643607	/nfs/dbraw/zinc/64/36/07/676643607.db2.gz	NOQKPWCGHRZHLI-ULQDDVLXSA-N	1	0	352.523	1.552	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)N3C[C@@H]4CC[C@H](O)[C@@H]4C3)CC2)CC1	ZINC000329553955	676643780	/nfs/dbraw/zinc/64/37/80/676643780.db2.gz	KGKYMHACUCMZCX-QGTPRVQTSA-N	1	0	350.507	1.162	20	30		FDEDRO
C[C@]1(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCO[C@@H]1C1CC1	ZINC000329759384	676653343	/nfs/dbraw/zinc/65/33/43/676653343.db2.gz	OUGQUYIEXMMKKN-NTDBWNAOSA-N	1	0	351.491	1.825	20	30		FDEDRO
CC(C)N1CC[C@H](NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1=O	ZINC000329767627	676654351	/nfs/dbraw/zinc/65/43/51/676654351.db2.gz	ZUKQYFOMARYHIJ-ZBFHGGJFSA-N	1	0	352.479	1.000	20	30		FDEDRO
CCS(=O)(=O)N1CCC(NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)CC1	ZINC000329841377	676660233	/nfs/dbraw/zinc/66/02/33/676660233.db2.gz	NMMVOEBASPAWKT-CQSZACIVSA-N	1	0	374.551	1.377	20	30		FDEDRO
CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@H]1CCCS(=O)(=O)C1	ZINC000329851834	676660657	/nfs/dbraw/zinc/66/06/57/676660657.db2.gz	RBOIIMUROONPNP-INIZCTEOSA-N	1	0	367.515	1.978	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)CC2(C#N)CCCCC2)CC1	ZINC000329900560	676663205	/nfs/dbraw/zinc/66/32/05/676663205.db2.gz	NXGXWSIQFKXWLO-INIZCTEOSA-N	1	0	356.536	1.406	20	30		FDEDRO
CO[C@H]1C[C@H](C(=O)NCC2([NH+]3CCCC3)CCOCC2)N(C(C)=O)C1	ZINC000329902504	676663226	/nfs/dbraw/zinc/66/32/26/676663226.db2.gz	PKSAKTLDVUAZOP-JKSUJKDBSA-N	1	0	353.463	1.224	20	30		FDEDRO
C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CN2CCN(S(C)(=O)=O)CC2)C1	ZINC000329964925	676665896	/nfs/dbraw/zinc/66/58/96/676665896.db2.gz	UCECSFCEPHGKPS-HNNXBMFYSA-N	1	0	374.551	1.031	20	30		FDEDRO
O=C(NCC1([NH+]2CCSCC2)CCCC1)N1CCn2ncnc2C1	ZINC000329967750	676666193	/nfs/dbraw/zinc/66/61/93/676666193.db2.gz	SROJCILGOPPHOZ-UHFFFAOYSA-N	1	0	350.492	1.369	20	30		FDEDRO
CN(CC(=O)NC[C@@]1([NH+](C)C)CCSC1)S(=O)(=O)c1cccnc1	ZINC000330055381	676670551	/nfs/dbraw/zinc/67/05/51/676670551.db2.gz	UHGPASGESNSAOL-HNNXBMFYSA-N	1	0	372.516	1.096	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)N2CCC(N3CCCC3=O)CC2)CCSC1	ZINC000330088056	676671975	/nfs/dbraw/zinc/67/19/75/676671975.db2.gz	UIYGSYFXGMLCQS-KRWDZBQOSA-N	1	0	354.520	1.425	20	30		FDEDRO
C[C@H](CNC(=O)Nc1ccc(C(F)(F)F)nn1)C[NH+]1CCN(C)CC1	ZINC000330160209	676675939	/nfs/dbraw/zinc/67/59/39/676675939.db2.gz	RTEDAFBBMOKXKH-LLVKDONJSA-N	1	0	360.384	1.705	20	30		FDEDRO
C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C	ZINC000330191446	676677592	/nfs/dbraw/zinc/67/75/92/676677592.db2.gz	NBUJLLNQJMDUQN-IXYNUQLISA-N	1	0	354.495	1.821	20	30		FDEDRO
CC[C@@H]1CN(C(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)CC[N@@H+]1CCOC	ZINC000330211791	676678793	/nfs/dbraw/zinc/67/87/93/676678793.db2.gz	DHEYQWLHWOQXMF-NUJGCVRESA-N	1	0	371.547	1.998	20	30		FDEDRO
Cc1nnsc1CNC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1	ZINC000330259739	676681668	/nfs/dbraw/zinc/68/16/68/676681668.db2.gz	NQQQJRSMSYUVHA-CQSZACIVSA-N	1	0	352.508	1.362	20	30		FDEDRO
CC(C)N1CC[C@@H](NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C1=O	ZINC000330271911	676682314	/nfs/dbraw/zinc/68/23/14/676682314.db2.gz	WTHWQQVCUAZMHR-GDBMZVCRSA-N	1	0	352.479	1.095	20	30		FDEDRO
CC(C)N1CC[C@H](NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C1=O	ZINC000330271913	676682439	/nfs/dbraw/zinc/68/24/39/676682439.db2.gz	WTHWQQVCUAZMHR-HOCLYGCPSA-N	1	0	352.479	1.095	20	30		FDEDRO
CS[C@H]1CN(CC(=O)NC(=O)Nc2ccc(C)cc2C)C[C@@H]1[NH+](C)C	ZINC000330506588	676694547	/nfs/dbraw/zinc/69/45/47/676694547.db2.gz	LTPRQOFYTQQHGX-HOTGVXAUSA-N	1	0	364.515	1.943	20	30		FDEDRO
C[C@H](CNC(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)[NH+]1CCC(C)CC1	ZINC000330718608	676701806	/nfs/dbraw/zinc/70/18/06/676701806.db2.gz	DLYMYDXBQJIDOG-BZUAXINKSA-N	1	0	374.551	1.471	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNC(=O)c2c[nH]c(=O)c(Br)c2)CC1	ZINC000330889954	676708397	/nfs/dbraw/zinc/70/83/97/676708397.db2.gz	HDFJIUXIYDWMTA-LLVKDONJSA-N	1	0	371.279	1.880	20	30		FDEDRO
C[C@H]1CN(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)C[C@@H](CO)O1	ZINC000330954894	676711011	/nfs/dbraw/zinc/71/10/11/676711011.db2.gz	GWSZDHSTQJICIU-FZMZJTMJSA-N	1	0	350.419	1.259	20	30		FDEDRO
C[NH+](C)C1CCN(C(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)CC1	ZINC000330983871	676712742	/nfs/dbraw/zinc/71/27/42/676712742.db2.gz	WDEYPEXRCUCXHI-UHFFFAOYSA-N	1	0	357.451	1.942	20	30		FDEDRO
CCS(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)s1	ZINC000330989657	676712868	/nfs/dbraw/zinc/71/28/68/676712868.db2.gz	JWLXDZXGQNRPHO-LBPRGKRZSA-N	1	0	359.517	1.839	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(C)[C@@H](c2nccn2C)C1)C(C)(C)C[NH+](C)C	ZINC000331030154	676714461	/nfs/dbraw/zinc/71/44/61/676714461.db2.gz	FJLIPQFRTZAZEC-LSDHHAIUSA-N	1	0	350.511	1.599	20	30		FDEDRO
CC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CCN(S(=O)(=O)C(C)C)CC2)C1	ZINC000331336551	676727891	/nfs/dbraw/zinc/72/78/91/676727891.db2.gz	KLFWEKJIWBFJAH-HNNXBMFYSA-N	1	0	374.551	1.377	20	30		FDEDRO
CS[C@@H]1CN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C[C@@H]1[NH+]1CCCC1	ZINC000332396859	676741337	/nfs/dbraw/zinc/74/13/37/676741337.db2.gz	TXZGCUJDTABENC-KYHPRHEASA-N	1	0	352.548	1.941	20	30		FDEDRO
CS[C@H]1CN(CC(=O)NC2(C#N)CCCCC2)C[C@@H]1[NH+]1CCCC1	ZINC000332866209	676756389	/nfs/dbraw/zinc/75/63/89/676756389.db2.gz	SOHPYTSJWGSBCO-HOTGVXAUSA-N	1	0	350.532	1.841	20	30		FDEDRO
CN1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C[C@H]1C#N	ZINC000364261209	677003210	/nfs/dbraw/zinc/00/32/10/677003210.db2.gz	TVEFYIROQYDIDF-OAHLLOKOSA-N	1	0	351.520	1.197	20	30		FDEDRO
C=C(C)CN(C)C(=O)C(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1	ZINC000422119826	680691929	/nfs/dbraw/zinc/69/19/29/680691929.db2.gz	SRJXHJKNYDDMFI-UHFFFAOYSA-N	1	0	350.507	1.040	20	30		FDEDRO
Cn1cc(CN2CCC[C@@H](NS(=O)(=O)c3ccccc3)C2)cc1C#N	ZINC000365269552	677356019	/nfs/dbraw/zinc/35/60/19/677356019.db2.gz	RQZRJUPGWWGXLQ-MRXNPFEDSA-N	1	0	358.467	1.840	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2cccs2)CC1	ZINC000367503568	677493030	/nfs/dbraw/zinc/49/30/30/677493030.db2.gz	UORXZJMPRBAOLO-CRAIPNDOSA-N	1	0	359.495	1.871	20	30		FDEDRO
N#Cc1ccc(F)c(CN2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)c1	ZINC000369907526	677526434	/nfs/dbraw/zinc/52/64/34/677526434.db2.gz	ZFIHZZSBFGJNKG-INIZCTEOSA-N	1	0	351.447	1.438	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC1CC[NH+](CC2CCCCC2)CC1	ZINC000370008976	677535699	/nfs/dbraw/zinc/53/56/99/677535699.db2.gz	PLYKGXUOPWHHKN-OAHLLOKOSA-N	1	0	356.536	1.957	20	30		FDEDRO
N#Cc1cc(F)c(S(=O)(=O)N2C[C@H]3[C@H](C2)C[N@@H+]2CCCC[C@@H]32)c(F)c1	ZINC000370465366	677580969	/nfs/dbraw/zinc/58/09/69/677580969.db2.gz	SLKVKXYEVBFVLP-XEZPLFJOSA-N	1	0	367.421	1.941	20	30		FDEDRO
N#Cc1ccc(N2CC[NH+](C[C@H](O)COCc3cccs3)CC2)cn1	ZINC000370623405	677599029	/nfs/dbraw/zinc/59/90/29/677599029.db2.gz	YGIUEAPKJGUJOH-KRWDZBQOSA-N	1	0	358.467	1.714	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CN3CCCC[C@H]3CO2)CC1	ZINC000371287744	677658337	/nfs/dbraw/zinc/65/83/37/677658337.db2.gz	SJDDFSAGOISLTF-ROUUACIJSA-N	1	0	350.507	1.579	20	30		FDEDRO
C[NH+]1CCN(C[C@H]2CN(Cc3ccc(F)c(C#N)c3Cl)CCO2)CC1	ZINC000373035805	678013106	/nfs/dbraw/zinc/01/31/06/678013106.db2.gz	JZTOPEIBDNKCKH-HNNXBMFYSA-N	1	0	366.868	1.799	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1	ZINC000374543444	678086390	/nfs/dbraw/zinc/08/63/90/678086390.db2.gz	LOOLPDVAIHNKQZ-LZLYRXPVSA-N	1	0	364.515	1.965	20	30		FDEDRO
N#Cc1ccc(Cl)cc1NC(=O)CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000375799014	678177375	/nfs/dbraw/zinc/17/73/75/678177375.db2.gz	XZGMIVSCAYTYEX-SJORKVTESA-N	1	0	362.861	1.681	20	30		FDEDRO
COCCC[N@@H+]1CCCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1	ZINC000376177720	678237423	/nfs/dbraw/zinc/23/74/23/678237423.db2.gz	KIJCEEQTNNRURC-UHFFFAOYSA-N	1	0	371.890	1.945	20	30		FDEDRO
N#Cc1ccc(S(N)(=O)=O)cc1NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1	ZINC000376219613	678247145	/nfs/dbraw/zinc/24/71/45/678247145.db2.gz	GCUJOSWXJMPUNZ-YOEHRIQHSA-N	1	0	364.471	1.118	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@H](C[NH2+]C)C1	ZINC000423029787	680772942	/nfs/dbraw/zinc/77/29/42/680772942.db2.gz	VMRJLGGFMHRCOJ-GFCCVEGCSA-N	1	0	355.891	1.984	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1	ZINC000409562820	678860457	/nfs/dbraw/zinc/86/04/57/678860457.db2.gz	NSLGYYWKNFEPQB-UHFFFAOYSA-N	1	0	356.467	1.670	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N1CCC(OCC[NH+](CC)CC)CC1	ZINC000410152118	678886249	/nfs/dbraw/zinc/88/62/49/678886249.db2.gz	VDRCEEMWTRDREI-UHFFFAOYSA-N	1	0	360.524	1.290	20	30		FDEDRO
COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCCC2(C#N)CCOCC2)C1	ZINC000410333756	678889744	/nfs/dbraw/zinc/88/97/44/678889744.db2.gz	RBNKGXINNKWZKU-IAGOWNOFSA-N	1	0	351.491	1.950	20	30		FDEDRO
CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)[C@@H]([NH3+])CCCC#N	ZINC000424141146	680830684	/nfs/dbraw/zinc/83/06/84/680830684.db2.gz	GVQZOFMIHHNHGA-LSDHHAIUSA-N	1	0	350.488	1.601	20	30		FDEDRO
N#Cc1cc(Br)ccc1C(=O)N[C@H](CO)C[NH+]1CCCCC1	ZINC000413797923	679298308	/nfs/dbraw/zinc/29/83/08/679298308.db2.gz	JSWROBAWAXDCBT-AWEZNQCLSA-N	1	0	366.259	1.897	20	30		FDEDRO
CCOc1cc(C#N)cc(Cl)c1OC[C@@H](O)CN1CC[NH+](C)CC1	ZINC000414149545	679332172	/nfs/dbraw/zinc/33/21/72/679332172.db2.gz	UVJLNGFNTJDTGP-AWEZNQCLSA-N	1	0	353.850	1.597	20	30		FDEDRO
N#CCc1ccc(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1	ZINC000414759158	679369757	/nfs/dbraw/zinc/36/97/57/679369757.db2.gz	NZMSRBUVTHKPNU-AWEZNQCLSA-N	1	0	355.364	1.710	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC2CCC([NH3+])CC2)cc1	ZINC000414884026	679372356	/nfs/dbraw/zinc/37/23/56/679372356.db2.gz	ARSCJXKFERXTPD-UHFFFAOYSA-N	1	0	366.487	1.885	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC[C@H]2CC[NH2+]C2)cc1	ZINC000414894312	679372801	/nfs/dbraw/zinc/37/28/01/679372801.db2.gz	KZVRTKUKARCGJH-CQSZACIVSA-N	1	0	366.487	1.614	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC[NH2+]1	ZINC000415433109	679430113	/nfs/dbraw/zinc/43/01/13/679430113.db2.gz	MEVPHLZKAJYZRO-VIFPVBQESA-N	1	0	351.204	1.080	20	30		FDEDRO
C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1	ZINC000415469553	679435634	/nfs/dbraw/zinc/43/56/34/679435634.db2.gz	XNVUYYIURRETOU-RISCZKNCSA-N	1	0	358.833	2.517	20	30		FDEDRO
CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(=O)NCC3C[NH2+]C3)sc2C1	ZINC000415540124	679447695	/nfs/dbraw/zinc/44/76/95/679447695.db2.gz	XNYDBSXBFWIZHH-GFCCVEGCSA-N	1	0	360.483	1.655	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C)CC[NH3+]	ZINC000415550973	679449606	/nfs/dbraw/zinc/44/96/06/679449606.db2.gz	KLHMAWIYDLWJKE-SNVBAGLBSA-N	1	0	370.247	1.806	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1	ZINC000415599049	679461850	/nfs/dbraw/zinc/46/18/50/679461850.db2.gz	LVJBPOXAMYMWEB-RDBSUJKOSA-N	1	0	364.471	1.821	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H]([NH3+])CC	ZINC000415788638	679501964	/nfs/dbraw/zinc/50/19/64/679501964.db2.gz	OOPJSZBVRVSEQC-NSHDSACASA-N	1	0	370.247	1.806	20	30		FDEDRO
CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N2CCOC3(C[NH2+]C3)C2)s1	ZINC000415897871	679534735	/nfs/dbraw/zinc/53/47/35/679534735.db2.gz	SOMDVNYYDAOTOV-UHFFFAOYSA-N	1	0	362.455	1.057	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1	ZINC000415996261	679541456	/nfs/dbraw/zinc/54/14/56/679541456.db2.gz	OWZUTRGCQQPIHA-LBPRGKRZSA-N	1	0	356.352	1.065	20	30		FDEDRO
COC(=O)[C@H]1CN(C(=O)Nc2cnc(C#N)c(Cl)c2)CC[N@H+](C)C1	ZINC000417188601	679748684	/nfs/dbraw/zinc/74/86/84/679748684.db2.gz	HYIXRGVPEGKGFW-SNVBAGLBSA-N	1	0	351.794	1.175	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)cc(F)c2OC)CC1	ZINC000473217926	685272037	/nfs/dbraw/zinc/27/20/37/685272037.db2.gz	WSKXSUTUALJGAO-UHFFFAOYSA-N	1	0	353.369	1.679	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000418134495	680008261	/nfs/dbraw/zinc/00/82/61/680008261.db2.gz	NGNYHRFAWDDEMH-IHRRRGAJSA-N	1	0	364.412	1.103	20	30		FDEDRO
CCC([NH3+])(CC)CNC(=O)N1CCN(c2snc(C)c2C#N)CC1	ZINC000418445210	680067389	/nfs/dbraw/zinc/06/73/89/680067389.db2.gz	XTKSAVSVIMGQDJ-UHFFFAOYSA-N	1	0	350.492	1.672	20	30		FDEDRO
[NH3+]C[C@H](NC(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CC1	ZINC000419112839	680192737	/nfs/dbraw/zinc/19/27/37/680192737.db2.gz	KOIIVSWDNXVZSS-AWEZNQCLSA-N	1	0	353.344	1.027	20	30		FDEDRO
C=CCOc1c(Br)cc(C[NH2+][C@H](CO)[C@@H](C)O)cc1OC	ZINC000419788813	680356805	/nfs/dbraw/zinc/35/68/05/680356805.db2.gz	ACMFHWNAISCLQR-ZWNOBZJWSA-N	1	0	360.248	1.854	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)NCC[C@@H]1CC[NH2+]C1	ZINC000420419977	680443851	/nfs/dbraw/zinc/44/38/51/680443851.db2.gz	NETOUJAZTUYBQK-JTQLQIEISA-N	1	0	358.261	1.599	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1	ZINC000425854790	680936636	/nfs/dbraw/zinc/93/66/36/680936636.db2.gz	KWROJXDASJZKJN-ROUUACIJSA-N	1	0	350.507	1.247	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1	ZINC000425874244	680938083	/nfs/dbraw/zinc/93/80/83/680938083.db2.gz	RAPISMKGOFPMPR-FPXQBCRKSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)c1	ZINC000428884347	681016814	/nfs/dbraw/zinc/01/68/14/681016814.db2.gz	VCEHXQCYCXAYJS-INIZCTEOSA-N	1	0	365.499	1.707	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N(CC)CCC[NH+]1CCCC1	ZINC000430385464	681074407	/nfs/dbraw/zinc/07/44/07/681074407.db2.gz	MBWHFOCZBPFHAN-IAGOWNOFSA-N	1	0	351.491	1.418	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1	ZINC000430397454	681075203	/nfs/dbraw/zinc/07/52/03/681075203.db2.gz	VYPMHIMXXHQJMB-SJORKVTESA-N	1	0	351.491	1.274	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1	ZINC000430398534	681075327	/nfs/dbraw/zinc/07/53/27/681075327.db2.gz	DCIOBYUPPADYLY-YVSFHVDLSA-N	1	0	351.491	1.415	20	30		FDEDRO
C[N@@H+](CCC(=O)Nc1sccc1C#N)CCN1CCOC(C)(C)C1	ZINC000434699437	681512594	/nfs/dbraw/zinc/51/25/94/681512594.db2.gz	KQWHLUBYBPRGLE-UHFFFAOYSA-N	1	0	350.488	1.991	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)c1	ZINC000440348153	681989178	/nfs/dbraw/zinc/98/91/78/681989178.db2.gz	XCSSKNKXNXSAEB-UKRRQHHQSA-N	1	0	351.472	1.269	20	30		FDEDRO
Cc1cc(C[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)ccc1C#N	ZINC000444001584	682371745	/nfs/dbraw/zinc/37/17/45/682371745.db2.gz	IIRQEHPNSBAJDP-HNNXBMFYSA-N	1	0	350.465	1.853	20	30		FDEDRO
CC(C)(C)[C@H](CO)[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000444698451	682420370	/nfs/dbraw/zinc/42/03/70/682420370.db2.gz	RTUYMESUZQDURY-HOCLYGCPSA-N	1	0	364.515	1.454	20	30		FDEDRO
N#Cc1cccc(C(=O)NCC2CC[NH+](CCO)CC2)c1Br	ZINC000450166796	682740750	/nfs/dbraw/zinc/74/07/50/682740750.db2.gz	AMJRYYQPIKEVEV-UHFFFAOYSA-N	1	0	366.259	1.755	20	30		FDEDRO
C[N@H+](CCO)C1CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC1	ZINC000451001690	682798232	/nfs/dbraw/zinc/79/82/32/682798232.db2.gz	AJEWNCWAFOCHMM-UHFFFAOYSA-N	1	0	371.890	1.483	20	30		FDEDRO
C[C@@H](O)C[N@H+](C)C1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC1	ZINC000451171485	682835128	/nfs/dbraw/zinc/83/51/28/682835128.db2.gz	NRWOLPNAWOMTGU-CYBMUJFWSA-N	1	0	369.462	1.304	20	30		FDEDRO
C[C@@H](CNS(=O)(=O)c1ccc(CC#N)cc1Cl)N1CC[NH+](C)CC1	ZINC000451236798	682848583	/nfs/dbraw/zinc/84/85/83/682848583.db2.gz	PQMJCAPDYWTWGB-ZDUSSCGKSA-N	1	0	370.906	1.320	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N(CC)CC(=O)NCc1cccs1	ZINC000451596707	682904246	/nfs/dbraw/zinc/90/42/46/682904246.db2.gz	HACFBCIZFFHSBQ-CABCVRRESA-N	1	0	351.472	1.146	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2CCO)cc1Cl	ZINC000452793821	683119925	/nfs/dbraw/zinc/11/99/25/683119925.db2.gz	HZMZXTDBAIQJEL-AWEZNQCLSA-N	1	0	364.833	1.113	20	30		FDEDRO
CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000453629224	683171510	/nfs/dbraw/zinc/17/15/10/683171510.db2.gz	YMUKRGOSHCDDIU-GFCCVEGCSA-N	1	0	351.838	1.638	20	30		FDEDRO
CC[NH+]1CCC(CCNC(=O)C(=O)Nc2cnc(C#N)c(Cl)c2)CC1	ZINC000453667575	683180754	/nfs/dbraw/zinc/18/07/54/683180754.db2.gz	WXQRWOXMZJOEME-UHFFFAOYSA-N	1	0	363.849	1.783	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCC[N@H+]2CCCC2(C)C)cc1	ZINC000457071783	683712310	/nfs/dbraw/zinc/71/23/10/683712310.db2.gz	ILKQMTOSSVJNOD-UHFFFAOYSA-N	1	0	365.499	1.755	20	30		FDEDRO
N#Cc1ccc(C[NH+]2CCC(n3cnc(C(N)=O)c3N)CC2)c(Cl)c1	ZINC000459447457	684408521	/nfs/dbraw/zinc/40/85/21/684408521.db2.gz	JWBYUDKNMLNOKW-UHFFFAOYSA-N	1	0	358.833	1.926	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)NC[C@]1([NH+](C)C)CCSC1	ZINC000464204456	684728888	/nfs/dbraw/zinc/72/88/88/684728888.db2.gz	GEHKLVCMJADJAZ-OAHLLOKOSA-N	1	0	355.485	1.282	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)CN1C(=O)NC(=O)C1(C)C)C(C)C	ZINC000469505715	684972673	/nfs/dbraw/zinc/97/26/73/684972673.db2.gz	WZVSLYPKIHFJGN-AWEZNQCLSA-N	1	0	350.463	1.132	20	30		FDEDRO
CC[NH+]1CCN(CC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000471391471	685127724	/nfs/dbraw/zinc/12/77/24/685127724.db2.gz	KFTMFXNSICIBHT-UHFFFAOYSA-N	1	0	353.388	1.811	20	30		FDEDRO
C[NH+](C)CCOCCNC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000471635190	685147286	/nfs/dbraw/zinc/14/72/86/685147286.db2.gz	IZKVKVSAYASGQC-UHFFFAOYSA-N	1	0	357.376	1.934	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]([NH+]2CCCCC2)C1	ZINC000472109417	685176588	/nfs/dbraw/zinc/17/65/88/685176588.db2.gz	ZDCUHXDXDJIRKM-ZDUSSCGKSA-N	1	0	364.427	1.715	20	30		FDEDRO
CC[NH+](CC)CCOCCNS(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000476205384	685690092	/nfs/dbraw/zinc/69/00/92/685690092.db2.gz	ZCCIBBUSPCDJLQ-UHFFFAOYSA-N	1	0	359.879	1.848	20	30		FDEDRO
CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)CC2(C#N)CCCCC2)CC1	ZINC000476335266	685710616	/nfs/dbraw/zinc/71/06/16/685710616.db2.gz	LEKUKSISTXMOJF-KRWDZBQOSA-N	1	0	370.563	1.653	20	30		FDEDRO
C[NH+](C)C[C@H](O)COc1ccc(NS(=O)(=O)CC2(C#N)CCC2)cc1	ZINC000477594253	685866652	/nfs/dbraw/zinc/86/66/52/685866652.db2.gz	XGSJTYSJQMQLLW-HNNXBMFYSA-N	1	0	367.471	1.423	20	30		FDEDRO
Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCCC(C)(C)[C@H]1C#N	ZINC000480328759	686158265	/nfs/dbraw/zinc/15/82/65/686158265.db2.gz	BTPAXMVFDYNCDS-OAHLLOKOSA-N	1	0	367.519	1.764	20	30		FDEDRO
C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)Cc2ccc(C#N)cc2F)C1	ZINC000480687980	686208931	/nfs/dbraw/zinc/20/89/31/686208931.db2.gz	HIFBSJQBBOPVQM-PBHICJAKSA-N	1	0	351.447	1.943	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1	ZINC000480856744	686239658	/nfs/dbraw/zinc/23/96/58/686239658.db2.gz	KMPPJDLXESOCKJ-SUMWQHHRSA-N	1	0	363.483	1.363	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(S(N)(=O)=O)nc1)C(C)C	ZINC000481682275	686355761	/nfs/dbraw/zinc/35/57/61/686355761.db2.gz	HTYQUZWRTJFGBC-HNNXBMFYSA-N	1	0	366.487	1.157	20	30		FDEDRO
N#Cc1ccc([C@@H]([NH2+]CCCn2cc(Br)cn2)C(N)=O)cc1	ZINC000487987706	687018652	/nfs/dbraw/zinc/01/86/52/687018652.db2.gz	XAZUIHOPZRFHSY-CQSZACIVSA-N	1	0	362.231	1.724	20	30		FDEDRO
N#Cc1ccc(SCC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1	ZINC000489955817	687123661	/nfs/dbraw/zinc/12/36/61/687123661.db2.gz	JJSJXEMGFYABRD-OAHLLOKOSA-N	1	0	360.483	1.354	20	30		FDEDRO
C=CCN1CC[C@H]([NH+]2CCC(C(=O)NCCc3cccs3)CC2)C1=O	ZINC000499493177	687959460	/nfs/dbraw/zinc/95/94/60/687959460.db2.gz	GTDJZYYHGCVSPT-KRWDZBQOSA-N	1	0	361.511	1.906	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@H]2CS(=O)(=O)CCO2)cc1OCCCC#N	ZINC000507850463	688683371	/nfs/dbraw/zinc/68/33/71/688683371.db2.gz	XFCZXQFOYTZACI-HNNXBMFYSA-N	1	0	368.455	1.281	20	30		FDEDRO
Cc1cnn(C)c1S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000508857027	688758451	/nfs/dbraw/zinc/75/84/51/688758451.db2.gz	PMEQXVJDLCYXSN-UHFFFAOYSA-N	1	0	361.471	1.353	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+](CCO)CC2CC2)CC1	ZINC000510888658	689433298	/nfs/dbraw/zinc/43/32/98/689433298.db2.gz	CTUDKXGVMQQFQH-MRXNPFEDSA-N	1	0	362.499	1.161	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2sccc2C#N)C1	ZINC000511944071	689568554	/nfs/dbraw/zinc/56/85/54/689568554.db2.gz	PJUIOYHBGVEGRD-ZDUSSCGKSA-N	1	0	350.444	1.031	20	30		FDEDRO
C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000512197575	689594156	/nfs/dbraw/zinc/59/41/56/689594156.db2.gz	SSSXZQUTAMYMOV-CQSZACIVSA-N	1	0	350.375	1.316	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](CO)Cc2ccc(F)cc2)nc1	ZINC000516291351	689939659	/nfs/dbraw/zinc/93/96/59/689939659.db2.gz	RJBVUWRPQKCNRX-INIZCTEOSA-N	1	0	363.414	1.059	20	30		FDEDRO
CC[NH+](CC)CCS(=O)(=O)N(C)CCOCc1ccc(C#N)cc1	ZINC000516896682	690006834	/nfs/dbraw/zinc/00/68/34/690006834.db2.gz	QYDZYXCWFVUHPY-UHFFFAOYSA-N	1	0	353.488	1.678	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)Cc1cccc(C#N)c1	ZINC000517461115	690068928	/nfs/dbraw/zinc/06/89/28/690068928.db2.gz	PITJFBAJRDBBFA-UHFFFAOYSA-N	1	0	358.467	1.847	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C[NH+](CC)CC)cc1	ZINC000520622771	690342163	/nfs/dbraw/zinc/34/21/63/690342163.db2.gz	ATDDBOGZNFHKSI-AWEZNQCLSA-N	1	0	353.488	1.611	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1C#N	ZINC000528060235	694699000	/nfs/dbraw/zinc/69/90/00/694699000.db2.gz	YKLZPHMRHYIXKD-MRXNPFEDSA-N	1	0	364.471	1.041	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1	ZINC000636502710	695159883	/nfs/dbraw/zinc/15/98/83/695159883.db2.gz	SBTJNTGRNZTGRL-INIZCTEOSA-N	1	0	352.523	1.093	20	30		FDEDRO
N#Cc1ccc(Cl)nc1C(F)(F)N1CC(=O)NC2(CC[NH2+]CC2)C1	ZINC001164388356	718809273	/nfs/dbraw/zinc/80/92/73/718809273.db2.gz	BZMCGFWGFUULHU-UHFFFAOYSA-N	1	0	355.776	1.210	20	30		FDEDRO
CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1C[C@H]2C[C@@]2([NH3+])C1	ZINC001164419963	718887483	/nfs/dbraw/zinc/88/74/83/718887483.db2.gz	SLDZGVNHKKGXRJ-YMTOWFKASA-N	1	0	356.760	1.866	20	30		FDEDRO
N#Cc1cc(C(F)(F)N2CCCO[C@]3(C[NH2+]CCOC3)C2)cc(Cl)n1	ZINC001164422739	718914379	/nfs/dbraw/zinc/91/43/79/718914379.db2.gz	ALZIDAFDBIPFOI-OAHLLOKOSA-N	1	0	372.803	1.737	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3cc(Cl)ncc3C#N)CC[C@H]2C1	ZINC001164851889	720837018	/nfs/dbraw/zinc/83/70/18/720837018.db2.gz	IUHOWKNAPURDPM-XJKSGUPXSA-N	1	0	350.850	1.780	20	30		FDEDRO
N#Cc1nc(Cl)cnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164871367	721060981	/nfs/dbraw/zinc/06/09/81/721060981.db2.gz	YJUKXKRILTWYHM-GJZGRUSLSA-N	1	0	370.844	1.876	20	30		FDEDRO
Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5[nH]cc(C#N)c54)C[C@@H]3C2)cn1	ZINC001164764449	721072007	/nfs/dbraw/zinc/07/20/07/721072007.db2.gz	HQOGSVFGFZRUOT-ZBFHGGJFSA-N	1	0	362.441	1.521	20	30		FDEDRO
COc1cc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)ncc1C#N	ZINC001164765305	721074432	/nfs/dbraw/zinc/07/44/32/721074432.db2.gz	IWZLGJQABVZWKF-NVXWUHKLSA-N	1	0	352.442	1.654	20	30		FDEDRO
COc1cc(C#N)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1	ZINC001164865358	721096662	/nfs/dbraw/zinc/09/66/62/721096662.db2.gz	KKORNXUMLPNDCO-HKUYNNGSSA-N	1	0	365.437	1.837	20	30		FDEDRO
Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(C#N)ccc4[N+](=O)[O-])C[C@@H]3C2)cn1	ZINC001164772742	721128303	/nfs/dbraw/zinc/12/83/03/721128303.db2.gz	VYBMVSFQAKSNCV-CABCVRRESA-N	1	0	367.413	1.553	20	30		FDEDRO
Cc1nc(C#N)cnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164871576	721128631	/nfs/dbraw/zinc/12/86/31/721128631.db2.gz	FOPFIZLXGBVWEZ-ZWKOTPCHSA-N	1	0	350.426	1.531	20	30		FDEDRO
CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cncc(CC#N)n4)C3)O2)CC1	ZINC001164897319	721428352	/nfs/dbraw/zinc/42/83/52/721428352.db2.gz	SYORZKJHJLRPAK-AZUAARDMSA-N	1	0	370.501	1.308	20	30		FDEDRO
Cc1nc(C#N)cnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164972514	722135584	/nfs/dbraw/zinc/13/55/84/722135584.db2.gz	AATNKNLIOAXLRE-PKOBYXMFSA-N	1	0	364.453	1.779	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccn3ccccc23)C[C@H]1C	ZINC001104406956	782357902	/nfs/dbraw/zinc/35/79/02/782357902.db2.gz	TXVKIMHNYFERIX-IAGOWNOFSA-N	1	0	366.465	1.377	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(-c4nccs4)c3)[C@H]2C1	ZINC001083243068	782363860	/nfs/dbraw/zinc/36/38/60/782363860.db2.gz	LGWKIEBEWKXIRA-LSDHHAIUSA-N	1	0	359.455	1.430	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3nccn4cc(C)nc34)[C@H]2C1	ZINC001083243212	782377977	/nfs/dbraw/zinc/37/79/77/782377977.db2.gz	QAFXERNOHMCBNQ-JKSUJKDBSA-N	1	0	355.442	1.529	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC001022726950	782687621	/nfs/dbraw/zinc/68/76/21/782687621.db2.gz	KVPXSRXIZPNMFQ-WTTBNOFXSA-N	1	0	370.453	1.205	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1	ZINC000661102671	782725834	/nfs/dbraw/zinc/72/58/34/782725834.db2.gz	JEZKJRPIPLOXKP-UHFFFAOYSA-N	1	0	365.518	1.762	20	30		FDEDRO
CC(C)C[C@@H](C(N)=O)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C	ZINC001211490198	769245492	/nfs/dbraw/zinc/24/54/92/769245492.db2.gz	WYIMLVKPZRMEIH-FHLIZLRMSA-N	1	0	356.470	1.642	20	30		FDEDRO
C#CC1(O)CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)C1	ZINC000890527395	769466154	/nfs/dbraw/zinc/46/61/54/769466154.db2.gz	RXGFMUYNCSMAKZ-IAGOWNOFSA-N	1	0	367.474	1.565	20	30		FDEDRO
C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1	ZINC000784925908	769713680	/nfs/dbraw/zinc/71/36/80/769713680.db2.gz	KHSIHMGHKGDEFU-UHFFFAOYSA-N	1	0	355.438	1.441	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4cccn4)n3)[C@H]2C1	ZINC001083187669	769976241	/nfs/dbraw/zinc/97/62/41/769976241.db2.gz	FTWOJJBIOVJPFW-DLBZAZTESA-N	1	0	353.426	1.369	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCO[C@@H]3C[N@@H+](CC4CC(OCC)C4)C[C@@H]32)c1	ZINC001083188436	769983109	/nfs/dbraw/zinc/98/31/09/769983109.db2.gz	VIDMMJLOLMPBLR-DXBWTPJFSA-N	1	0	369.465	1.403	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc(C3CCC3)n2C)C1	ZINC001022736821	782797627	/nfs/dbraw/zinc/79/76/27/782797627.db2.gz	DPTGQXKIOCUAFY-QXSJWSMHSA-N	1	0	359.474	1.411	20	30		FDEDRO
Cn1nccc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC000969425819	770177083	/nfs/dbraw/zinc/17/70/83/770177083.db2.gz	IEYDFAOFXBXGJN-BRWVUGGUSA-N	1	0	367.428	1.925	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)c2ccoc2)C[C@H]1C	ZINC001104227236	770489403	/nfs/dbraw/zinc/48/94/03/770489403.db2.gz	QGPXDZXPRAGSLS-TZMCWYRMSA-N	1	0	353.850	1.836	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)OC)C[C@H]1c1ccccc1	ZINC001211545998	782872448	/nfs/dbraw/zinc/87/24/48/782872448.db2.gz	RGMFNFVIHRRAPR-KSZLIROESA-N	1	0	359.470	1.298	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H]1C	ZINC001020599598	770947145	/nfs/dbraw/zinc/94/71/45/770947145.db2.gz	HZRHPRVGOBVIIS-YVSFHVDLSA-N	1	0	363.502	1.558	20	30		FDEDRO
Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1	ZINC000970013508	771200631	/nfs/dbraw/zinc/20/06/31/771200631.db2.gz	VXRPUTNPPXAAGF-BRWVUGGUSA-N	1	0	367.428	1.925	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C#N)c2)C1	ZINC000970014081	771202247	/nfs/dbraw/zinc/20/22/47/771202247.db2.gz	ADHMRBONQNFMMJ-KURKYZTESA-N	1	0	355.438	1.848	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1	ZINC000970072678	771299406	/nfs/dbraw/zinc/29/94/06/771299406.db2.gz	WNMFROKSRPXPQP-JTDSTZFVSA-N	1	0	351.491	1.009	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21	ZINC001022752090	782926190	/nfs/dbraw/zinc/92/61/90/782926190.db2.gz	URZANTULYFNJES-HPBDAGMYSA-N	1	0	361.486	1.121	20	30		FDEDRO
C[C@@H]1CCO[C@@H]1C(=O)N1CCO[C@@H]2CN(CC#Cc3ccccc3)C[C@@H]21	ZINC001083197508	771700558	/nfs/dbraw/zinc/70/05/58/771700558.db2.gz	UFPYXMWDNGRBND-MDNKFWRPSA-N	1	0	354.450	1.375	20	30		FDEDRO
C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC001167215189	771744976	/nfs/dbraw/zinc/74/49/76/771744976.db2.gz	UWESPWGJTFCSLH-CVEARBPZSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CCc2cnn(C)c2C)C[C@H]1C	ZINC001104246726	771804196	/nfs/dbraw/zinc/80/41/96/771804196.db2.gz	CJBGMPNTAMRONA-VQIMIIECSA-N	1	0	362.518	1.938	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)NCCCC)CC1	ZINC001167274634	771849904	/nfs/dbraw/zinc/84/99/04/771849904.db2.gz	XWGXEAHKQXOBCV-CVEARBPZSA-N	1	0	351.491	1.370	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]CCO[C@H]2CC2(F)F)CC1	ZINC001167277121	771856013	/nfs/dbraw/zinc/85/60/13/771856013.db2.gz	BXZYMVFJYWCDES-ILXRZTDVSA-N	1	0	358.429	1.878	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+][C@@H](C)C(=O)N(CC)CC)CC1	ZINC001167277886	771857202	/nfs/dbraw/zinc/85/72/02/771857202.db2.gz	WSQXIARFEHPMKL-BBWFWOEESA-N	1	0	365.518	1.711	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)NCc1cccc(NS(=O)(=O)C2CC2)c1	ZINC000890862290	771985809	/nfs/dbraw/zinc/98/58/09/771985809.db2.gz	ZNEBFANENHRMBW-UHFFFAOYSA-N	1	0	351.472	1.715	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1c1ccccc1	ZINC001211547772	782975408	/nfs/dbraw/zinc/97/54/08/782975408.db2.gz	CEAFUKIPQORJEP-ZWKOTPCHSA-N	1	0	352.438	1.268	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1C[C@@H](C)N(CC)C[C@H]1C	ZINC000784965348	772198787	/nfs/dbraw/zinc/19/87/87/772198787.db2.gz	LBLCLRVUFHZLSK-ZIAGYGMSSA-N	1	0	361.417	1.717	20	30		FDEDRO
C[C@@H]1CCN(C(=O)CN2CCCC2=O)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087117607	772329457	/nfs/dbraw/zinc/32/94/57/772329457.db2.gz	YPMKKNVAUIQEGA-APWZRJJASA-N	1	0	368.481	1.897	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1coc3c1C(=O)NCCC3)C2	ZINC001112482371	772343335	/nfs/dbraw/zinc/34/33/35/772343335.db2.gz	RQDMOIDZLFYIPZ-BTYIYWSLSA-N	1	0	369.465	1.811	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cc(Br)n[nH]2)C[C@H]1C	ZINC001104256855	772449364	/nfs/dbraw/zinc/44/93/64/772449364.db2.gz	SLGNTAAKCPAXOU-VXGBXAGGSA-N	1	0	353.264	1.883	20	30		FDEDRO
CNC(=O)NCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccccc2C#N)C1	ZINC001104265146	772583151	/nfs/dbraw/zinc/58/31/51/772583151.db2.gz	VQBOMJHVIFFMGA-RHSMWYFYSA-N	1	0	357.458	1.061	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)C[C@H]1C	ZINC001104266560	772632050	/nfs/dbraw/zinc/63/20/50/772632050.db2.gz	MZUVBBLQNDJGHT-BRWVUGGUSA-N	1	0	371.547	1.451	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1	ZINC000890987353	772653822	/nfs/dbraw/zinc/65/38/22/772653822.db2.gz	WQEMJXIZWNASCN-AWEZNQCLSA-N	1	0	363.421	1.938	20	30		FDEDRO
CC/C=C(\C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC#N)C1	ZINC001211549392	783045509	/nfs/dbraw/zinc/04/55/09/783045509.db2.gz	HDQRGSASVNAFJG-NWIVGVASSA-N	1	0	354.454	1.567	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3CN(C(=O)C45CCC[NH+]4CCC5)C[C@H]32)c1	ZINC001021321618	772899782	/nfs/dbraw/zinc/89/97/82/772899782.db2.gz	DUMNRBKHULCBPI-DOTOQJQBSA-N	1	0	367.453	1.188	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@@H](OCC)C(C)C)C[C@H]1C	ZINC001104286857	773054622	/nfs/dbraw/zinc/05/46/22/773054622.db2.gz	KCFCMPPVEUXOQL-KZNAEPCWSA-N	1	0	367.534	1.814	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1	ZINC000970656395	773202477	/nfs/dbraw/zinc/20/24/77/773202477.db2.gz	QMKZQBVATLBONV-KGLIPLIRSA-N	1	0	371.909	1.185	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](C(=O)NCC#C[C@H]2CCCCO2)[C@@H](c2cnn(C)c2)C1	ZINC000891113088	773291882	/nfs/dbraw/zinc/29/18/82/773291882.db2.gz	SVRBPOLZXKBPIL-HSALFYBXSA-N	1	0	372.513	1.923	20	30		FDEDRO
CCN1CCC([NH+]2CCC(C(=O)NCC#C[C@@H]3CCCCO3)CC2)CC1	ZINC000891116438	773311121	/nfs/dbraw/zinc/31/11/21/773311121.db2.gz	MSHJDYADABQRSD-FQEVSTJZSA-N	1	0	361.530	1.871	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1	ZINC000656027225	773314183	/nfs/dbraw/zinc/31/41/83/773314183.db2.gz	XLYCUPHYJMLYHA-IAGOWNOFSA-N	1	0	351.491	1.594	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)CC[N@@H+]1C	ZINC001021429859	773316545	/nfs/dbraw/zinc/31/65/45/773316545.db2.gz	SRQFINJEOCZYDH-VIBAHUMZSA-N	1	0	369.469	1.290	20	30		FDEDRO
CC#CCN1C[C@H]2OCCN(C(=O)Cc3ccc(Cl)c(F)c3)[C@H]2C1	ZINC001083205663	773425325	/nfs/dbraw/zinc/42/53/25/773425325.db2.gz	LYWPLTCMSVOAIB-DLBZAZTESA-N	1	0	350.821	1.957	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cccn2CC=C)C[C@H]1C	ZINC001104293776	773873778	/nfs/dbraw/zinc/87/37/78/773873778.db2.gz	CYQCJLUIIVDDAK-IAGOWNOFSA-N	1	0	356.470	1.111	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnc(C)[nH]2)C1	ZINC001104293777	773874014	/nfs/dbraw/zinc/87/40/14/773874014.db2.gz	DAHAPYCRXVLACV-GDBMZVCRSA-N	1	0	356.474	1.989	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCC)C1	ZINC001104293985	773877368	/nfs/dbraw/zinc/87/73/68/773877368.db2.gz	OFLDTRYGLWUYGA-IAGOWNOFSA-N	1	0	360.502	1.888	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)cc1	ZINC001021588851	774100839	/nfs/dbraw/zinc/10/08/39/774100839.db2.gz	DYKFRDHOJLCLJT-VQTJNVASSA-N	1	0	365.477	1.835	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1)[NH+]1CCCC1	ZINC001021593248	774139224	/nfs/dbraw/zinc/13/92/24/774139224.db2.gz	WTDQWKCFXXNZJF-NSHGMRRFSA-N	1	0	357.498	1.580	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)COCC2CCCC2)C[C@H]1C	ZINC001104301094	774336741	/nfs/dbraw/zinc/33/67/41/774336741.db2.gz	VBXQHRGSEAKGQJ-SJLPKXTDSA-N	1	0	363.502	1.017	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1	ZINC000275885989	774351292	/nfs/dbraw/zinc/35/12/92/774351292.db2.gz	PBOZTUMBXCFMAH-HNNXBMFYSA-N	1	0	357.454	1.826	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c(OC)c1	ZINC000275890430	774365037	/nfs/dbraw/zinc/36/50/37/774365037.db2.gz	PLUZFIGDAZCJMQ-UHFFFAOYSA-N	1	0	362.430	1.336	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nccnc2C)C1	ZINC001104306174	774436179	/nfs/dbraw/zinc/43/61/79/774436179.db2.gz	OXAZCHXSSABSRI-POAQFYNOSA-N	1	0	369.513	1.457	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nccc(C)n2)C1	ZINC001104306090	774439553	/nfs/dbraw/zinc/43/95/53/774439553.db2.gz	KBVCBNOHLZDFPI-QRQLOZEOSA-N	1	0	369.513	1.457	20	30		FDEDRO
C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C[C@H]1C	ZINC001104306218	774441227	/nfs/dbraw/zinc/44/12/27/774441227.db2.gz	QWBGHONEZROBSR-RWQQGDIJSA-N	1	0	358.486	1.595	20	30		FDEDRO
C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C[C@H]1C	ZINC001104312627	774595654	/nfs/dbraw/zinc/59/56/54/774595654.db2.gz	KPZCGRYGJMCOHY-VBSBHUPXSA-N	1	0	356.466	1.851	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(CC)s1)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261626251	774616561	/nfs/dbraw/zinc/61/65/61/774616561.db2.gz	BWAUEDAZVGPOLF-UHFFFAOYSA-N	1	0	374.514	1.858	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cc(-c2cnn(C)c2)no1	ZINC001087136574	774676868	/nfs/dbraw/zinc/67/68/68/774676868.db2.gz	ZFEYSRLVTQGVSQ-YCPHGPKFSA-N	1	0	370.457	1.951	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)c2cnc3n2CCOC3)C[C@H]1C	ZINC001104314059	774682359	/nfs/dbraw/zinc/68/23/59/774682359.db2.gz	BXBODSYEHFCMOP-TZMCWYRMSA-N	1	0	352.866	1.854	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)C[C@@H](c2ccccc2)N2CCOC2=O)CC1	ZINC000728307814	774868380	/nfs/dbraw/zinc/86/83/80/774868380.db2.gz	TZKDDEGEJAMFOM-INIZCTEOSA-N	1	0	356.426	1.674	20	30		FDEDRO
C=CCC[N@@H+](C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000276079164	775699212	/nfs/dbraw/zinc/69/92/12/775699212.db2.gz	ASQLJXCXRMKPTQ-UHFFFAOYSA-N	1	0	369.425	1.963	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@H](C)c2ccncc2)C[C@H]1C	ZINC001104346793	776058231	/nfs/dbraw/zinc/05/82/31/776058231.db2.gz	JIUFRXAIPWLVGD-YQVWRLOYSA-N	1	0	370.497	1.399	20	30		FDEDRO
C[C@@H]1CCN(C(=O)CN2CCOCC2)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087152155	776085116	/nfs/dbraw/zinc/08/51/16/776085116.db2.gz	GKVKMMXPNOHEJM-XLIONFOSSA-N	1	0	370.497	1.607	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CCO[C@@H]3C[N@@H+](CC[C@H](C)F)C[C@@H]32)cc1	ZINC001083217333	776467239	/nfs/dbraw/zinc/46/72/39/776467239.db2.gz	SYYJRXLQFAINAA-ZYSHUDEJSA-N	1	0	360.429	1.972	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@H](C)C4CC4)C[C@H]32)CC1	ZINC001021883867	776487331	/nfs/dbraw/zinc/48/73/31/776487331.db2.gz	NMBQNXMOIFAWOK-AYOQOUSVSA-N	1	0	357.498	1.437	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C4(C)CC(=C)C4)C[C@H]32)CC1	ZINC001021886621	776501531	/nfs/dbraw/zinc/50/15/31/776501531.db2.gz	IXTZCSDTERWTBH-RBUKOAKNSA-N	1	0	369.509	1.747	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4C[C@H]4CC)C[C@H]32)CC1	ZINC001021886616	776501809	/nfs/dbraw/zinc/50/18/09/776501809.db2.gz	IVPNEZIHXZYBIL-QXCFHYIPSA-N	1	0	357.498	1.437	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1	ZINC001075420139	776788835	/nfs/dbraw/zinc/78/88/35/776788835.db2.gz	POUKUIXQPRAIPB-KBAYOESNSA-N	1	0	357.429	1.259	20	30		FDEDRO
C[N@H+]1C[C@H]2CN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)C[C@H]2C1	ZINC000892713025	790493505	/nfs/dbraw/zinc/49/35/05/790493505.db2.gz	SKIKPEOWWBFELG-IYBDPMFKSA-N	1	0	354.458	1.125	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)F)C[C@H]1c1ccccc1	ZINC001211515218	776971294	/nfs/dbraw/zinc/97/12/94/776971294.db2.gz	OOOXIIYFKANFMB-BHYGNILZSA-N	1	0	359.445	1.457	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CCc2ccc(S(C)(=O)=O)cc2)CC1	ZINC000933354986	777510378	/nfs/dbraw/zinc/51/03/78/777510378.db2.gz	MHWRVJIYPBFWEB-UHFFFAOYSA-N	1	0	362.495	1.627	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@@H]([N@H+](C)Cc3ccc(C#N)cc3)C2)C1	ZINC000971550300	777559878	/nfs/dbraw/zinc/55/98/78/777559878.db2.gz	TZYWQEKSLCEKTO-ZTFGCOKTSA-N	1	0	354.454	1.506	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC2CC(F)(F)C2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104365001	777750360	/nfs/dbraw/zinc/75/03/60/777750360.db2.gz	PGQIDHKGPRTBNW-TZMCWYRMSA-N	1	0	356.417	1.136	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH+]1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2	ZINC000933460110	778188761	/nfs/dbraw/zinc/18/87/61/778188761.db2.gz	IOBHSBUKGQNUIN-OAHLLOKOSA-N	1	0	367.490	1.779	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[N@H+](C[C@H](O)CC#N)C2(CCOCC2)CC1	ZINC000933508528	778293485	/nfs/dbraw/zinc/29/34/85/778293485.db2.gz	JFBIBHKMGSXABG-OAHLLOKOSA-N	1	0	353.463	1.753	20	30		FDEDRO
C[C@@H]1CCN(C(=O)Cn2ncnn2)[C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC001087166857	778632217	/nfs/dbraw/zinc/63/22/17/778632217.db2.gz	HGBBECGYFHXUEE-CJNGLKHVSA-N	1	0	371.420	1.101	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1)[NH+](C)C	ZINC000971703003	778736197	/nfs/dbraw/zinc/73/61/97/778736197.db2.gz	TWLUSAYLSURLCW-OIISXLGYSA-N	1	0	357.458	1.145	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CSC)C[C@H]1c1ccccc1	ZINC001211522560	779114627	/nfs/dbraw/zinc/11/46/27/779114627.db2.gz	XAZDJATWNVPXEY-BHYGNILZSA-N	1	0	359.495	1.072	20	30		FDEDRO
CCNC(=O)C1(CNC(=[NH2+])NCCc2ccc(OC)c(OC)c2)CCC1	ZINC000276723852	779149888	/nfs/dbraw/zinc/14/98/88/779149888.db2.gz	BRPXDHHZKQSIID-UHFFFAOYSA-N	1	0	362.474	1.457	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]32)nc1	ZINC001022293227	779181788	/nfs/dbraw/zinc/18/17/88/779181788.db2.gz	NOOZRDWLUCZOGN-CGTJXYLNSA-N	1	0	354.454	1.076	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)C[C@H]4CC[N@@H+](C)C4)C[C@H]32)cn1	ZINC001022294492	779197337	/nfs/dbraw/zinc/19/73/37/779197337.db2.gz	IZGYCTMFJWSSOY-HHXXYDBFSA-N	1	0	366.465	1.078	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]32)cc1	ZINC001022335594	779441599	/nfs/dbraw/zinc/44/15/99/779441599.db2.gz	PUISTPBFIDRZIQ-GBESFXJTSA-N	1	0	353.466	1.681	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)C[C@H]4CC[N@@H+](C)C4)C[C@H]32)cc1	ZINC001022335751	779441914	/nfs/dbraw/zinc/44/19/14/779441914.db2.gz	SWYRCJSJBXLCSP-YZGWKJHDSA-N	1	0	365.477	1.683	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1	ZINC000971827918	779623907	/nfs/dbraw/zinc/62/39/07/779623907.db2.gz	AAIRYCDUDBKHJI-XOKHGSTOSA-N	1	0	355.442	1.044	20	30		FDEDRO
CCN(C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H]1CC[NH2+]C1	ZINC000891850954	779738286	/nfs/dbraw/zinc/73/82/86/779738286.db2.gz	AHJCOYGJMSWZAT-DLBZAZTESA-N	1	0	355.442	1.053	20	30		FDEDRO
CC[C@H](C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[NH+](CC)CC	ZINC000276880949	779990626	/nfs/dbraw/zinc/99/06/26/779990626.db2.gz	ILTFTIRULZDONW-QZTJIDSGSA-N	1	0	356.470	1.896	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCC3=CC[N@H+](C)CC3)C2)n1	ZINC000376834764	790775309	/nfs/dbraw/zinc/77/53/09/790775309.db2.gz	ZVOMNVIFSRVNEO-SFHVURJKSA-N	1	0	353.470	1.856	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1	ZINC000971870341	780297339	/nfs/dbraw/zinc/29/73/39/780297339.db2.gz	PAMSMBUCMWTMBK-FHLIZLRMSA-N	1	0	369.469	1.434	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@]3(C)c3ccccc3)C2)C1=O	ZINC001022458453	780355225	/nfs/dbraw/zinc/35/52/25/780355225.db2.gz	GOZOZXUFTQOJBK-CXRJOHDQSA-N	1	0	367.493	1.988	20	30		FDEDRO
NC(=O)c1cccc(CCNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)c1	ZINC000261992819	780559556	/nfs/dbraw/zinc/55/95/56/780559556.db2.gz	MSVIMEQCCURMEV-UHFFFAOYSA-N	1	0	354.410	1.916	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2ncnc3[nH]ccc32)C[C@H]1C	ZINC001104389128	780633611	/nfs/dbraw/zinc/63/36/11/780633611.db2.gz	JVNLGFCSBTVURU-HUUCEWRRSA-N	1	0	357.458	1.800	20	30		FDEDRO
C=CCC[C@H](CO)NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1	ZINC000458314685	780939278	/nfs/dbraw/zinc/93/92/78/780939278.db2.gz	OOUCKGYYUGBRFY-GOSISDBHSA-N	1	0	361.486	1.770	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)c4coc(C)c4)[C@@H]3C2)CC1	ZINC000971925992	781049655	/nfs/dbraw/zinc/04/96/55/781049655.db2.gz	NHJLBKIAPDSTKZ-IEBWSBKVSA-N	1	0	369.465	1.606	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)CC1	ZINC000277216803	781115956	/nfs/dbraw/zinc/11/59/56/781115956.db2.gz	YMMLRKYFEXGSDI-OAHLLOKOSA-N	1	0	361.417	1.719	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)C[C@H]21	ZINC001022567506	781176010	/nfs/dbraw/zinc/17/60/10/781176010.db2.gz	ANILJIVHZTVPHS-ZYSHUDEJSA-N	1	0	368.481	1.623	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2c3ccccc3OC[C@H]2CO)cc1	ZINC000934212051	781604082	/nfs/dbraw/zinc/60/40/82/781604082.db2.gz	OXBBQQJDZIRZCE-LLGFUMIMSA-N	1	0	368.433	1.824	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1	ZINC000277408144	781760571	/nfs/dbraw/zinc/76/05/71/781760571.db2.gz	DIWYOUBQKQKBKX-KRWDZBQOSA-N	1	0	355.438	1.770	20	30		FDEDRO
N#CCSCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCn2cccn2)C1	ZINC001211538059	781793171	/nfs/dbraw/zinc/79/31/71/781793171.db2.gz	PNAQJAQGJSNJKO-ZWKOTPCHSA-N	1	0	369.494	1.724	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)[C@H](C)C(C)C)[C@@H]3C2)CC1	ZINC001022791897	783241853	/nfs/dbraw/zinc/24/18/53/783241853.db2.gz	UDOUJYOMYZLYPW-NZSAHSFTSA-N	1	0	359.514	1.683	20	30		FDEDRO
CC(C)[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@H](O)COc1ccccc1	ZINC000277797903	783348591	/nfs/dbraw/zinc/34/85/91/783348591.db2.gz	OBXIETPJFNGQFE-FXAWDEMLSA-N	1	0	359.470	1.945	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCOC2)C[C@H]1c1ccccc1	ZINC001211553977	783350005	/nfs/dbraw/zinc/35/00/05/783350005.db2.gz	QJWQUJODVCOLSR-SLFFLAALSA-N	1	0	356.466	1.647	20	30		FDEDRO
C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)Nc1cccc(CC#N)c1	ZINC000892286754	783439152	/nfs/dbraw/zinc/43/91/52/783439152.db2.gz	BCVIUFUDQNTYTA-OAHLLOKOSA-N	1	0	363.421	1.823	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[NH2+]C23CCCC3)cc1	ZINC000648206794	783714426	/nfs/dbraw/zinc/71/44/26/783714426.db2.gz	MPKKYCOOVOPWGR-INIZCTEOSA-N	1	0	363.483	1.555	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)cn2C)C[C@H]1c1ccccc1	ZINC001211629381	783771963	/nfs/dbraw/zinc/77/19/63/783771963.db2.gz	NPVDBBBRHQEDJZ-ZWKOTPCHSA-N	1	0	364.449	1.345	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn3c2OCCC3)C[C@H]1c1ccccc1	ZINC001211629556	783813125	/nfs/dbraw/zinc/81/31/25/783813125.db2.gz	YBZOZVGYWCOWFL-RBUKOAKNSA-N	1	0	364.449	1.887	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3csc(C)c3)C[C@H]21	ZINC000972834868	783901790	/nfs/dbraw/zinc/90/17/90/783901790.db2.gz	GDKJKQUJAUAMFG-BPQIPLTHSA-N	1	0	371.506	1.827	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2C(=O)CCC2=O)C1	ZINC001112519902	783938039	/nfs/dbraw/zinc/93/80/39/783938039.db2.gz	FOPXBZLLSJXUTR-JXFKEZNVSA-N	1	0	361.486	1.710	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N(CC)[C@H]2CC[N@H+](C)C2)cc1	ZINC000658357751	783939491	/nfs/dbraw/zinc/93/94/91/783939491.db2.gz	RWVOVNTXEXBFGB-INIZCTEOSA-N	1	0	358.442	1.094	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]3C2)cc1	ZINC000972861324	783963223	/nfs/dbraw/zinc/96/32/23/783963223.db2.gz	OODIMCPLRCFLIG-GUDVDZBRSA-N	1	0	353.466	1.681	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ncc(Cl)n2C)C1	ZINC001024165104	784163808	/nfs/dbraw/zinc/16/38/08/784163808.db2.gz	LGQCUDYEMNJTRI-ZNMIVQPWSA-N	1	0	366.893	1.993	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CCN(C(=O)N2C3CCC2(C[NH3+])CC3)CC1	ZINC000892453013	784436746	/nfs/dbraw/zinc/43/67/46/784436746.db2.gz	HZTZXQVTCTVRLE-UHFFFAOYSA-N	1	0	357.433	1.895	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COCc2ncc(C)o2)C[C@H]1c1ccccc1	ZINC001211631601	784832191	/nfs/dbraw/zinc/83/21/91/784832191.db2.gz	IBHIBXDCBIEFRH-ZWKOTPCHSA-N	1	0	353.422	1.717	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccc(C#N)cc2)O1	ZINC001024505735	784963759	/nfs/dbraw/zinc/96/37/59/784963759.db2.gz	HKXVRSROVAFMIY-LSTHTHJFSA-N	1	0	370.497	1.748	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(=O)c(OC)co2)C[C@H]1c1ccccc1	ZINC001211633189	785106063	/nfs/dbraw/zinc/10/60/63/785106063.db2.gz	SIAMDUSRWSKZGP-DLBZAZTESA-N	1	0	366.417	1.870	20	30		FDEDRO
Cn1ccc(N2CC[C@@H]([NH2+]C3CCN(c4ccc(C#N)cc4)CC3)C2=O)n1	ZINC000375955663	785368498	/nfs/dbraw/zinc/36/84/98/785368498.db2.gz	SMVPKVWONCOKEM-GOSISDBHSA-N	1	0	364.453	1.656	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1	ZINC000375975841	785424847	/nfs/dbraw/zinc/42/48/47/785424847.db2.gz	SORGFKAPDWVLII-IQUTYRLHSA-N	1	0	368.441	1.571	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1=O	ZINC000375989571	785464337	/nfs/dbraw/zinc/46/43/37/785464337.db2.gz	SDNQNIJYQHHTEX-RBUKOAKNSA-N	1	0	370.497	1.937	20	30		FDEDRO
COC(=O)[C@@H]1CN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC[N@H+](C)C1	ZINC000413901121	785727833	/nfs/dbraw/zinc/72/78/33/785727833.db2.gz	LSOCXRZEQKAAMA-AWEZNQCLSA-N	1	0	359.401	1.292	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccccc4C)[C@@H]3C2)C1=O	ZINC001075506438	786855503	/nfs/dbraw/zinc/85/55/03/786855503.db2.gz	JFWDVGQCZZFXFM-QXAKKESOSA-N	1	0	353.466	1.928	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1	ZINC001025001037	787125325	/nfs/dbraw/zinc/12/53/25/787125325.db2.gz	LGHRYKOROFYNHB-HUUCEWRRSA-N	1	0	351.491	1.151	20	30		FDEDRO
CN(C1CC[NH+](CCc2ccncc2)CC1)S(=O)(=O)c1ccc(C#N)o1	ZINC000376280315	787133503	/nfs/dbraw/zinc/13/35/03/787133503.db2.gz	WGFDDYQXVWVGGY-UHFFFAOYSA-N	1	0	374.466	1.874	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)C1	ZINC000936116456	787271030	/nfs/dbraw/zinc/27/10/30/787271030.db2.gz	IYJRYDCSQGSHBU-OAGGEKHMSA-N	1	0	361.442	1.263	20	30		FDEDRO
CS[C@H]1CN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@@H]1[NH+](C)C	ZINC000376364691	787463620	/nfs/dbraw/zinc/46/36/20/787463620.db2.gz	CJJCPKMNVSHFTB-GJZGRUSLSA-N	1	0	371.470	1.648	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCNC(=O)CC2)C[C@H]1c1ccccc1	ZINC001211640578	787595462	/nfs/dbraw/zinc/59/54/62/787595462.db2.gz	YVWBHXBEBGRVFA-GBESFXJTSA-N	1	0	353.466	1.510	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC(=O)N(C)[C@@H]3c3cccnc3)[C@@H]2C1	ZINC000978828814	805803979	/nfs/dbraw/zinc/80/39/79/805803979.db2.gz	MQQQGUIJEUWVTO-YTGMWSOZSA-N	1	0	354.454	1.081	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H]2CCS(=O)(=O)C2)C1	ZINC001104552322	787749979	/nfs/dbraw/zinc/74/99/79/787749979.db2.gz	CYBBCSYWMMPCFX-KZNAEPCWSA-N	1	0	368.543	1.689	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1C#N	ZINC001025083530	787769591	/nfs/dbraw/zinc/76/95/91/787769591.db2.gz	ACSPYFUFAVVWEP-QRVBRYPASA-N	1	0	368.481	1.753	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1CC[NH2+]CC#Cc1ccccc1	ZINC001104557759	787832349	/nfs/dbraw/zinc/83/23/49/787832349.db2.gz	VGTUDMFSAGANFH-MISYRCLQSA-N	1	0	367.493	1.591	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](CCC)OCC)C[C@H]1C	ZINC001104558345	787841235	/nfs/dbraw/zinc/84/12/35/787841235.db2.gz	FMIPGTBFJVSHAA-ZACQAIPSSA-N	1	0	353.507	1.568	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NC)C1	ZINC001104563663	787925493	/nfs/dbraw/zinc/92/54/93/787925493.db2.gz	QIOWCQPPTNNYOQ-RRFJBIMHSA-N	1	0	352.479	1.119	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCCOC)C1	ZINC001104563723	787926073	/nfs/dbraw/zinc/92/60/73/787926073.db2.gz	SMDGJJIKIKJWCY-KZNAEPCWSA-N	1	0	367.534	1.816	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2C(=O)CCC2=O)C1	ZINC001104564997	787950965	/nfs/dbraw/zinc/95/09/65/787950965.db2.gz	XGHCOZIFCKKVDG-BRWVUGGUSA-N	1	0	363.502	1.812	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](OC)c2cnn(C)c2)C[C@H]1c1ccccc1	ZINC001211642424	788021317	/nfs/dbraw/zinc/02/13/17/788021317.db2.gz	CHSWCVHRGREXGJ-XUVXKRRUSA-N	1	0	366.465	1.715	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc[nH]c2C(C)C)C[C@H]1C	ZINC001104568990	788031867	/nfs/dbraw/zinc/03/18/67/788031867.db2.gz	DETDBZBCHYPXOS-HZPDHXFCSA-N	1	0	358.486	1.575	20	30		FDEDRO
O=C(NCC12CC(C1)C[NH2+]2)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000659106042	788036110	/nfs/dbraw/zinc/03/61/10/788036110.db2.gz	DZGJZKOIVRDYFQ-UHFFFAOYSA-N	1	0	360.417	1.288	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1	ZINC000978868184	805855860	/nfs/dbraw/zinc/85/58/60/805855860.db2.gz	ZNEOFTRUAAFRHT-SPUZQDLCSA-N	1	0	363.502	1.320	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3cccnc32)C[C@H]1C	ZINC001104594043	788782642	/nfs/dbraw/zinc/78/26/42/788782642.db2.gz	NNDIKWHESDPXLI-QRQLOZEOSA-N	1	0	355.482	1.835	20	30		FDEDRO
C[C@@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1)C(F)(F)F	ZINC001104620840	788929784	/nfs/dbraw/zinc/92/97/84/788929784.db2.gz	LGGVABSYVYXLBA-FRRDWIJNSA-N	1	0	362.396	1.289	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCCc2ccccc2)C[C@H]1C	ZINC001104618172	788944086	/nfs/dbraw/zinc/94/40/86/788944086.db2.gz	MRWDGLFJWUDSHE-UYAOXDASSA-N	1	0	369.509	1.833	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1	ZINC001104643497	789099374	/nfs/dbraw/zinc/09/93/74/789099374.db2.gz	SHBYAEMSWVWABZ-FPDPHYFHSA-N	1	0	368.481	1.801	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ocnc2CC)C[C@H]1C	ZINC001104659655	789182052	/nfs/dbraw/zinc/18/20/52/789182052.db2.gz	ROTZLMMXMKZOGY-RBSFLKMASA-N	1	0	360.458	1.063	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cccc(-n3cncn3)c2)C[C@H]1C	ZINC001104659701	789210090	/nfs/dbraw/zinc/21/00/90/789210090.db2.gz	UJGFLTIGCKAOTC-SJLPKXTDSA-N	1	0	351.454	1.978	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(C(F)F)n[nH]2)C[C@H]1C	ZINC001104664910	789231096	/nfs/dbraw/zinc/23/10/96/789231096.db2.gz	AVYUMVRMJKKXAF-VXGBXAGGSA-N	1	0	369.416	1.337	20	30		FDEDRO
C=CCC[C@@H](CO)NC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)c(F)c1	ZINC000659597606	789264696	/nfs/dbraw/zinc/26/46/96/789264696.db2.gz	IVKRLQDPDSGDNS-ZOBUZTSGSA-N	1	0	365.449	1.906	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCCC(=O)N2)C[C@H]1C	ZINC001104667366	789274099	/nfs/dbraw/zinc/27/40/99/789274099.db2.gz	LUUQAIRXHRDOGM-BRWVUGGUSA-N	1	0	351.491	1.322	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)C[C@H]1c1ccccc1	ZINC001211646874	789276283	/nfs/dbraw/zinc/27/62/83/789276283.db2.gz	MSGHCWWMOMBIOC-RCCFBDPRSA-N	1	0	356.470	1.560	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1C	ZINC001104672354	789282745	/nfs/dbraw/zinc/28/27/45/789282745.db2.gz	ILCLZRRTZIYQKD-ZJPYXAASSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2occc2C[NH+](C)C)C1	ZINC000973530232	789330025	/nfs/dbraw/zinc/33/00/25/789330025.db2.gz	WHRSHZATCKOLLZ-FPCVCCKLSA-N	1	0	361.442	1.309	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C	ZINC001104682840	789385486	/nfs/dbraw/zinc/38/54/86/789385486.db2.gz	BFKHBSMICQQAQD-IAGOWNOFSA-N	1	0	364.534	1.095	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nccnc2C)C1	ZINC001104699432	789519920	/nfs/dbraw/zinc/51/99/20/789519920.db2.gz	SLGLXWALDOFDRR-MYZZLAAOSA-N	1	0	358.486	1.950	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1	ZINC001025439060	789576929	/nfs/dbraw/zinc/57/69/29/789576929.db2.gz	WSYJBTUHGORDMB-HLIPFELVSA-N	1	0	365.518	1.397	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccnc2)C[C@H]1C	ZINC001104708485	789579647	/nfs/dbraw/zinc/57/96/47/789579647.db2.gz	XBNVHAYFWPVUJF-OQIJWPOYSA-N	1	0	370.497	1.562	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1	ZINC000979045551	805997280	/nfs/dbraw/zinc/99/72/80/805997280.db2.gz	WWFZPXUZYCTLLH-TWMKSMIVSA-N	1	0	361.486	1.217	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)c1C#N	ZINC000472676810	791233879	/nfs/dbraw/zinc/23/38/79/791233879.db2.gz	IWDMJTNWIAELLP-INIZCTEOSA-N	1	0	358.490	1.513	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnn(-c3ccccn3)c2)C[C@H]1C	ZINC001104745022	791270841	/nfs/dbraw/zinc/27/08/41/791270841.db2.gz	CTNCBRKJGIVJFH-IAGOWNOFSA-N	1	0	351.454	1.978	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)OC(C)(C)C)CCO2	ZINC000926862870	791674387	/nfs/dbraw/zinc/67/43/87/791674387.db2.gz	BFEPTLGRNLEGPW-LJQANCHMSA-N	1	0	367.490	1.733	20	30		FDEDRO
N#Cc1ccc(N2CCC3(C[C@@H]3NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC2)cn1	ZINC001058655741	791700072	/nfs/dbraw/zinc/70/00/72/791700072.db2.gz	JAEBLVQXUQRPPV-NUJGCVRESA-N	1	0	362.437	1.955	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2CC23CCN(c2ccnc(C#N)n2)CC3)CC[N@@H+]1C	ZINC001058655923	791709467	/nfs/dbraw/zinc/70/94/67/791709467.db2.gz	OOBLQLGFZUKZSN-RBSFLKMASA-N	1	0	354.458	1.164	20	30		FDEDRO
Cc1cc(C#N)nc(N2CCC3(C[C@@H]3NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1	ZINC001058656145	791729171	/nfs/dbraw/zinc/72/91/71/791729171.db2.gz	WBFMSWDXIXRESA-OIISXLGYSA-N	1	0	368.485	1.472	20	30		FDEDRO
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)c1C	ZINC000415270242	791800299	/nfs/dbraw/zinc/80/02/99/791800299.db2.gz	QJEPAKPQEQIJRH-OAHLLOKOSA-N	1	0	366.425	1.249	20	30		FDEDRO
C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)C1	ZINC000415282092	791829795	/nfs/dbraw/zinc/82/97/95/791829795.db2.gz	LYISEWHOURMFQT-OAHLLOKOSA-N	1	0	358.442	1.742	20	30		FDEDRO
CCCc1c(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)cnn1-c1cccc(C#N)c1	ZINC000415331177	791946459	/nfs/dbraw/zinc/94/64/59/791946459.db2.gz	LIEXMFGICOJLFU-AWEZNQCLSA-N	1	0	366.425	1.113	20	30		FDEDRO
N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[NH2+]1	ZINC000415368341	792083953	/nfs/dbraw/zinc/08/39/53/792083953.db2.gz	AGXBTTINVLWSOC-CQSZACIVSA-N	1	0	365.393	1.552	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1=O	ZINC001025818944	792151090	/nfs/dbraw/zinc/15/10/90/792151090.db2.gz	POCMDANTRRPDIM-OXODIDRGSA-N	1	0	371.506	1.685	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1	ZINC000415391319	792164990	/nfs/dbraw/zinc/16/49/90/792164990.db2.gz	LMLVEQSFAHYSME-HNNXBMFYSA-N	1	0	353.426	1.869	20	30		FDEDRO
C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1	ZINC000415416965	792214738	/nfs/dbraw/zinc/21/47/38/792214738.db2.gz	UTPFPYMBNDIHGU-LBPRGKRZSA-N	1	0	368.441	1.271	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@]2(CO)CCCc3ccccc32)nc1	ZINC000377599066	792302883	/nfs/dbraw/zinc/30/28/83/792302883.db2.gz	DCPXYOBWDPCFLS-IBGZPJMESA-N	1	0	371.462	1.541	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCCN(Cc3cnn(C(C)C)c3)CC2)CC1	ZINC000377603149	792315208	/nfs/dbraw/zinc/31/52/08/792315208.db2.gz	VBTNWZCXKNABHF-UHFFFAOYSA-N	1	0	371.529	1.844	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000377638695	792389504	/nfs/dbraw/zinc/38/95/04/792389504.db2.gz	DQHPZEDEJXJCPQ-VQIMIIECSA-N	1	0	370.497	1.952	20	30		FDEDRO
Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)ccc1Cl	ZINC000377652907	792418502	/nfs/dbraw/zinc/41/85/02/792418502.db2.gz	LNJCCVODTIGEAZ-ZBFHGGJFSA-N	1	0	374.872	1.963	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1	ZINC000415581007	792595409	/nfs/dbraw/zinc/59/54/09/792595409.db2.gz	MVTLHYQAISMFQD-BMGDILEWSA-N	1	0	370.453	1.893	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@]2(C)COc3ccccc3O2)CC1	ZINC000636677055	806172968	/nfs/dbraw/zinc/17/29/68/806172968.db2.gz	ORAMAJRJEDXHKJ-HXUWFJFHSA-N	1	0	373.453	1.099	20	30		FDEDRO
C#CCNC(=O)c1ccc(N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)nc1	ZINC000377749135	792714754	/nfs/dbraw/zinc/71/47/54/792714754.db2.gz	ZCRVQYCSUJLUHP-BPQIPLTHSA-N	1	0	356.470	1.746	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1	ZINC000415628061	792721289	/nfs/dbraw/zinc/72/12/89/792721289.db2.gz	DJSFDODRVNOQAB-IYBDPMFKSA-N	1	0	356.426	1.661	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)CCc3cccc(OCC)c3)[C@H]2C1	ZINC001083287714	792728925	/nfs/dbraw/zinc/72/89/25/792728925.db2.gz	VBOVIPHSDTYGTA-VQTJNVASSA-N	1	0	356.466	1.953	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1	ZINC000377765319	792751987	/nfs/dbraw/zinc/75/19/87/792751987.db2.gz	UVXGDSKERDASSD-HZPDHXFCSA-N	1	0	364.490	1.937	20	30		FDEDRO
C[C@@H]1COCC[N@H+](CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)C1	ZINC000328701907	792798104	/nfs/dbraw/zinc/79/81/04/792798104.db2.gz	WYOVKSDRGNZRHR-INIZCTEOSA-N	1	0	359.470	1.951	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)cnn2C)C[C@H]1c1ccccc1	ZINC001211650634	792832640	/nfs/dbraw/zinc/83/26/40/792832640.db2.gz	QDZHXRCMYKOLMA-RBUKOAKNSA-N	1	0	366.465	1.576	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccsc2)N(C)C)nn1CCC#N	ZINC000270985426	792881235	/nfs/dbraw/zinc/88/12/35/792881235.db2.gz	CMMSVBNVXGCWGS-AWEZNQCLSA-N	1	0	374.470	1.524	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1	ZINC000415729257	792889811	/nfs/dbraw/zinc/88/98/11/792889811.db2.gz	BMUCKCIBWVUVKX-SHTZXODSSA-N	1	0	372.469	1.422	20	30		FDEDRO
C[C@@H]1[C@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000415743895	792913921	/nfs/dbraw/zinc/91/39/21/792913921.db2.gz	MFDCAGNCYMXUHA-BXKDBHETSA-N	1	0	370.331	1.386	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc3ccccn3c2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104751500	792929406	/nfs/dbraw/zinc/92/94/06/792929406.db2.gz	UGSYZBHOVRISRY-HZPDHXFCSA-N	1	0	367.453	1.267	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1C(F)(F)F	ZINC000415774253	792957263	/nfs/dbraw/zinc/95/72/63/792957263.db2.gz	XYHDWUIOVXEMLZ-SMDDNHRTSA-N	1	0	366.343	1.726	20	30		FDEDRO
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1	ZINC000415831780	793083364	/nfs/dbraw/zinc/08/33/64/793083364.db2.gz	KDKXUVRPMFRHGU-MRXNPFEDSA-N	1	0	359.470	1.972	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)ccc1OC(F)(F)F	ZINC000415859256	793217681	/nfs/dbraw/zinc/21/76/81/793217681.db2.gz	ANGWRPAYVRHREZ-GFCCVEGCSA-N	1	0	370.331	1.654	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1	ZINC000415875797	793254584	/nfs/dbraw/zinc/25/45/84/793254584.db2.gz	ZRMBLXRDTZIOHO-SOUVJXGZSA-N	1	0	356.426	1.400	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1	ZINC000415879804	793276312	/nfs/dbraw/zinc/27/63/12/793276312.db2.gz	QHRQIYFSTLARGF-ROUUACIJSA-N	1	0	370.453	1.550	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21	ZINC001026096226	793285071	/nfs/dbraw/zinc/28/50/71/793285071.db2.gz	ZMQMIJJYYDUXBK-MNWMBMHPSA-N	1	0	361.486	1.025	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2CC(C)C)C1	ZINC000979328659	806240363	/nfs/dbraw/zinc/24/03/63/806240363.db2.gz	GFLJMBXWABNTMN-FQBWVUSXSA-N	1	0	359.514	1.777	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1	ZINC000415954778	793430006	/nfs/dbraw/zinc/43/00/06/793430006.db2.gz	OVTNRBUNQHXESI-UHFFFAOYSA-N	1	0	356.430	1.742	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC(=C)C)NC(C)=O)C[C@H]1C	ZINC001104757669	793483010	/nfs/dbraw/zinc/48/30/10/793483010.db2.gz	HJIRKTDJNMJSAX-BHIYHBOVSA-N	1	0	365.518	1.734	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C1	ZINC001104757825	793488291	/nfs/dbraw/zinc/48/82/91/793488291.db2.gz	OJMNHSSBRFDQSR-QRQLOZEOSA-N	1	0	363.502	1.181	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2nnn(C)c2C(F)(F)F)C[C@H]1C	ZINC001104769053	793553663	/nfs/dbraw/zinc/55/36/63/793553663.db2.gz	ASTOYEGITOWSKP-VXGBXAGGSA-N	1	0	357.380	1.545	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccc(C)s1)C2	ZINC001111520171	793647727	/nfs/dbraw/zinc/64/77/27/793647727.db2.gz	USVJGYVKSRKBCF-OIISXLGYSA-N	1	0	359.495	1.460	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1	ZINC000979333208	806266364	/nfs/dbraw/zinc/26/63/64/806266364.db2.gz	ZHTADSRHBNDOJD-TWMKSMIVSA-N	1	0	363.502	1.320	20	30		FDEDRO
COC(=O)[C@@H](c1cccc(C#N)c1)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000378298438	793911825	/nfs/dbraw/zinc/91/18/25/793911825.db2.gz	ZPTQXJCJGDTUKY-WOJBJXKFSA-N	1	0	370.497	1.873	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1	ZINC001104832569	793962496	/nfs/dbraw/zinc/96/24/96/793962496.db2.gz	IEDVTVZUPRKKCC-CRAIPNDOSA-N	1	0	367.457	1.209	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cnn(C(F)F)c2)C[C@H]1C	ZINC001104842429	794016745	/nfs/dbraw/zinc/01/67/45/794016745.db2.gz	JRLHNOVTGASJGY-CHWSQXEVSA-N	1	0	369.416	1.268	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccccc2OCC#N)CCN1C1CC[NH+](C)CC1	ZINC000378367901	794030440	/nfs/dbraw/zinc/03/04/40/794030440.db2.gz	FSCDCXJEAVPLHG-MRXNPFEDSA-N	1	0	356.470	1.829	20	30		FDEDRO
C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1=O	ZINC000416342734	794050442	/nfs/dbraw/zinc/05/04/42/794050442.db2.gz	QAVNUEPPRXPBPX-AEFFLSMTSA-N	1	0	354.454	1.462	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC[C@@H]2CCCOC2)C[C@H]1C	ZINC001104850818	794061392	/nfs/dbraw/zinc/06/13/92/794061392.db2.gz	NHEYYZUBALTPLV-FGTMMUONSA-N	1	0	365.518	1.570	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1	ZINC000378457644	794174883	/nfs/dbraw/zinc/17/48/83/794174883.db2.gz	WFUHLMZXSGOUHI-CJNGLKHVSA-N	1	0	359.401	1.329	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(N3CCCC3)ncn1)C2	ZINC001112529786	806307457	/nfs/dbraw/zinc/30/74/57/806307457.db2.gz	PEEPRGMZLHAOBR-UWJYYQICSA-N	1	0	367.497	1.932	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)c2cscn2)C[C@H]1C	ZINC001104879312	794192776	/nfs/dbraw/zinc/19/27/76/794192776.db2.gz	ISIQHWHBQJZXLK-DGCLKSJQSA-N	1	0	370.906	1.700	20	30		FDEDRO
CC[C@H]1CCCN1C(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C1	ZINC001104883108	794199280	/nfs/dbraw/zinc/19/92/80/794199280.db2.gz	YRRQIYIONNYCAN-KURKYZTESA-N	1	0	363.502	1.111	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1	ZINC001112063798	794396058	/nfs/dbraw/zinc/39/60/58/794396058.db2.gz	WPMIRRMRJCGWCN-ZIAGYGMSSA-N	1	0	357.376	1.830	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccn3ccnc3c2)c1	ZINC000178358926	794410525	/nfs/dbraw/zinc/41/05/25/794410525.db2.gz	XRJCHBLUUFSXHG-UHFFFAOYSA-N	1	0	368.418	1.176	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(=O)[nH]c4c3CCCC4)[C@H]2C1	ZINC001083293901	794449081	/nfs/dbraw/zinc/44/90/81/794449081.db2.gz	DBJSYPHJGVALSX-ZWKOTPCHSA-N	1	0	357.454	1.767	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cc3c(cn2)OCCC3)C[C@H]1C	ZINC001104960522	794596422	/nfs/dbraw/zinc/59/64/22/794596422.db2.gz	XTAYUWDMDIJRBB-SJLPKXTDSA-N	1	0	371.481	1.744	20	30		FDEDRO
C=C(Br)C[NH2+]CC[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C	ZINC001104986363	794741699	/nfs/dbraw/zinc/74/16/99/794741699.db2.gz	CLENRGDXIDVCSP-DGCLKSJQSA-N	1	0	356.268	1.261	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1CC[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001104986811	794743593	/nfs/dbraw/zinc/74/35/93/794743593.db2.gz	VTEDFXBYKMJKEH-RHSMWYFYSA-N	1	0	370.432	1.563	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@H]1C	ZINC001104992385	794760911	/nfs/dbraw/zinc/76/09/11/794760911.db2.gz	VYXXMRXHLDPSMZ-QZTJIDSGSA-N	1	0	369.509	1.788	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(=O)n(CCCC)n2)C[C@H]1C	ZINC001104996304	794795674	/nfs/dbraw/zinc/79/56/74/794795674.db2.gz	DUVZCYPNFVLLPO-IAGOWNOFSA-N	1	0	358.486	1.755	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(COC)cc2)C[C@H]1C	ZINC001104996485	794798266	/nfs/dbraw/zinc/79/82/66/794798266.db2.gz	GJLMSPLUBCZTLD-VQIMIIECSA-N	1	0	371.481	1.270	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C(C)(C)C)C2)CC1	ZINC000974224190	794811275	/nfs/dbraw/zinc/81/12/75/794811275.db2.gz	LDGDOKLQOYEJNS-XMTFNYHQSA-N	1	0	359.514	1.777	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C23CCC(CC2)CC3)C[C@H]1C	ZINC001105044378	795046045	/nfs/dbraw/zinc/04/60/45/795046045.db2.gz	HDJJWCPZESHIEB-BXAPWLEFSA-N	1	0	359.514	1.780	20	30		FDEDRO
C=C[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2C)C1)c1ccccc1	ZINC001105050718	795067328	/nfs/dbraw/zinc/06/73/28/795067328.db2.gz	VSEKXNVLEPUUGJ-NXHRZFHOSA-N	1	0	368.485	1.754	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3nncn3C2)C[C@H]1C	ZINC001105053914	795073656	/nfs/dbraw/zinc/07/36/56/795073656.db2.gz	DNQVAGCIRAWOGK-YUELXQCFSA-N	1	0	351.882	1.667	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CC2)C1	ZINC001105064299	795110564	/nfs/dbraw/zinc/11/05/64/795110564.db2.gz	IJSPZYGVLBTEBV-GDBMZVCRSA-N	1	0	350.507	1.734	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CS(=O)(=O)C2CCCC2)C1	ZINC001111790063	795145203	/nfs/dbraw/zinc/14/52/03/795145203.db2.gz	GLSXFTHUZQGKPW-YJBOKZPZSA-N	1	0	354.516	1.891	20	30		FDEDRO
Cc1nsc(C)c1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001105076335	795165940	/nfs/dbraw/zinc/16/59/40/795165940.db2.gz	WNFWCGONQAYTPS-BXUZGUMPSA-N	1	0	363.487	1.088	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@](C)(NC(C)=O)C(C)C)C[C@H]1C	ZINC001105082661	795179421	/nfs/dbraw/zinc/17/94/21/795179421.db2.gz	MIWPJKBIFMXYLQ-POAQFYNOSA-N	1	0	365.518	1.261	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC2CCC2)C1	ZINC001105085529	795206554	/nfs/dbraw/zinc/20/65/54/795206554.db2.gz	UOJBLKDPFSHZGK-SJLPKXTDSA-N	1	0	365.518	1.570	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)Nc2ccon2)C1	ZINC001105089956	795232470	/nfs/dbraw/zinc/23/24/70/795232470.db2.gz	CNQVJFBEAROIDL-HUUCEWRRSA-N	1	0	364.446	1.280	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccnc(OC)n2)C1	ZINC001105090230	795234456	/nfs/dbraw/zinc/23/44/56/795234456.db2.gz	NHRGDYCLBZCNPA-BZUAXINKSA-N	1	0	362.474	1.651	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)c(OC)c1	ZINC000278828564	795300845	/nfs/dbraw/zinc/30/08/45/795300845.db2.gz	IFMULHAKJZMJCZ-JXFKEZNVSA-N	1	0	360.454	1.375	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+]	ZINC000417594584	795315506	/nfs/dbraw/zinc/31/55/06/795315506.db2.gz	JARAWXSHSUVGEL-KRWDZBQOSA-N	1	0	374.485	1.781	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCCO2)C[C@H]1C	ZINC001105111728	795323575	/nfs/dbraw/zinc/32/35/75/795323575.db2.gz	NJVBGJZALFYTNI-BRWVUGGUSA-N	1	0	351.491	1.322	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CCNC(=O)CC(C)C)C[C@H]1C	ZINC001105111846	795324228	/nfs/dbraw/zinc/32/42/28/795324228.db2.gz	SNCLTJMMGMCDOM-QZTJIDSGSA-N	1	0	367.534	1.816	20	30		FDEDRO
C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)C[C@H]1C	ZINC001105120374	795347037	/nfs/dbraw/zinc/34/70/37/795347037.db2.gz	DCJKYZZWDPTEII-BRWVUGGUSA-N	1	0	363.502	1.860	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)C2CCOCC2)C[C@H]1C	ZINC001105121766	795350654	/nfs/dbraw/zinc/35/06/54/795350654.db2.gz	YFIYIDMSUWDDCP-ZIFCJYIRSA-N	1	0	350.503	1.773	20	30		FDEDRO
CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000418075952	795511722	/nfs/dbraw/zinc/51/17/22/795511722.db2.gz	HUPRDSYXRYOBGT-QZTJIDSGSA-N	1	0	371.485	1.674	20	30		FDEDRO
C[NH2+]CCCNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000418275537	795691215	/nfs/dbraw/zinc/69/12/15/795691215.db2.gz	DEPLWJHVFKMVSE-UHFFFAOYSA-N	1	0	358.402	1.247	20	30		FDEDRO
N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)NC[C@@H]1CCC[NH2+]1	ZINC000418358416	795815554	/nfs/dbraw/zinc/81/55/54/795815554.db2.gz	DNIXXKZKVRNLTP-AWEZNQCLSA-N	1	0	367.457	1.310	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])C[C@@]12c1ccccc1NC2=O	ZINC000418482615	795978463	/nfs/dbraw/zinc/97/84/63/795978463.db2.gz	YUMYFFSRWZYKIT-HXYMJUCXSA-N	1	0	353.426	1.169	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21	ZINC000974463699	796001944	/nfs/dbraw/zinc/00/19/44/796001944.db2.gz	HNCSTBKJYSWKMW-XOKHGSTOSA-N	1	0	355.442	1.044	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cccnc2C)C1	ZINC001112100796	796025107	/nfs/dbraw/zinc/02/51/07/796025107.db2.gz	LGHGTBWXSAPJCS-NUEKZKHPSA-N	1	0	369.387	1.907	20	30		FDEDRO
CC(C)C[C@H](NC(=O)/C=C/c1ccccc1C#N)C(=O)NCC[NH+](C)C	ZINC000759903373	796102719	/nfs/dbraw/zinc/10/27/19/796102719.db2.gz	MWQKCQYNPBYUGE-BBVFFXRHSA-N	1	0	356.470	1.780	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1	ZINC000979852330	806556811	/nfs/dbraw/zinc/55/68/11/806556811.db2.gz	AOUBUVVZPGKUKC-TXTZMMAHSA-N	1	0	363.502	1.320	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1	ZINC000979856823	806565361	/nfs/dbraw/zinc/56/53/61/806565361.db2.gz	PSTMUOWGLLYNKX-ZKXLYKBJSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000979888257	806588325	/nfs/dbraw/zinc/58/83/25/806588325.db2.gz	WMDHHIDHUNMEMA-WEVKCVHISA-N	1	0	363.502	1.319	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1	ZINC000979911021	806599859	/nfs/dbraw/zinc/59/98/59/806599859.db2.gz	AVJDLLCDPKXBKO-ZKXLYKBJSA-N	1	0	363.502	1.463	20	30		FDEDRO
C#Cc1ccc(C(=O)NCc2cccc(OCC[N@@H+](C)CCOC)c2)nc1	ZINC000728865222	806637689	/nfs/dbraw/zinc/63/76/89/806637689.db2.gz	AZMRWDLPYKWHSR-UHFFFAOYSA-N	1	0	367.449	1.950	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1	ZINC000974570379	799840241	/nfs/dbraw/zinc/84/02/41/799840241.db2.gz	QOAVNGDTBXUQFE-QWFCFKBJSA-N	1	0	355.482	1.334	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](CNC(=O)[C@]34C[C@H]3CCC4)C2)CC1	ZINC000980121278	806789777	/nfs/dbraw/zinc/78/97/77/806789777.db2.gz	QJAOABSBKOFQPL-QTQZEZTPSA-N	1	0	357.498	1.533	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCNC2=O)C1	ZINC001112523474	799968014	/nfs/dbraw/zinc/96/80/14/799968014.db2.gz	VPXNBVWHEXZRPK-DBVUQKKJSA-N	1	0	362.518	1.832	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnnn2C(C)C)C1	ZINC001026850674	799993852	/nfs/dbraw/zinc/99/38/52/799993852.db2.gz	BSHVIBYPAVLCIN-OAGGEKHMSA-N	1	0	362.478	1.173	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN(c2nccnn2)CC1)C(C)C	ZINC000636573794	800065963	/nfs/dbraw/zinc/06/59/63/800065963.db2.gz	HMNDBTCPBHWMMF-QGZVFWFLSA-N	1	0	373.505	1.402	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)CC2(C)C)O1	ZINC000974722048	800188093	/nfs/dbraw/zinc/18/80/93/800188093.db2.gz	CKOXPVTXXAQZAG-ATZDWAIDSA-N	1	0	370.497	1.604	20	30		FDEDRO
C=CC[C@]1(C(=O)N[C@H](C)c2ccc(S(=O)(=O)NC)cc2)CCC[NH2+]1	ZINC000662531807	806832754	/nfs/dbraw/zinc/83/27/54/806832754.db2.gz	JEZWAGCJTXTVEI-CXAGYDPISA-N	1	0	351.472	1.470	20	30		FDEDRO
C=CC[C@]1(C(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)CCC[NH2+]1	ZINC000662533661	806834221	/nfs/dbraw/zinc/83/42/21/806834221.db2.gz	BPAYPXUIELVNAY-MGPUTAFESA-N	1	0	373.453	1.126	20	30		FDEDRO
C=CC[C@@]1(C(=O)Nc2ncn(CC(=O)NCc3ccccc3)n2)CCC[NH2+]1	ZINC000662550997	806843635	/nfs/dbraw/zinc/84/36/35/806843635.db2.gz	SJEGNLYXQAGJFI-IBGZPJMESA-N	1	0	368.441	1.231	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CCn3cccc3)[C@@H]2C1	ZINC000974912874	800583325	/nfs/dbraw/zinc/58/33/25/800583325.db2.gz	LLAXQOMEFJFMJO-CEXWTWQISA-N	1	0	368.481	1.035	20	30		FDEDRO
C=CC[C@]1(C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)CCC[NH2+]1	ZINC000662587457	806856150	/nfs/dbraw/zinc/85/61/50/806856150.db2.gz	DTSNOKIKTGTFLS-QGZVFWFLSA-N	1	0	351.472	1.397	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@@H+](CCCc2nc(C)no2)CC1(C)C	ZINC000975066363	800816591	/nfs/dbraw/zinc/81/65/91/800816591.db2.gz	RPJGREIDWNLJNY-PMPSAXMXSA-N	1	0	362.474	1.728	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnnn2CCCC)C1	ZINC001027076477	800892115	/nfs/dbraw/zinc/89/21/15/800892115.db2.gz	OMXXHUKBGGFUBR-XHSDSOJGSA-N	1	0	362.478	1.002	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccn(C)c(=O)c2)C1	ZINC001027116566	801009002	/nfs/dbraw/zinc/00/90/02/801009002.db2.gz	FGCPMVDEPGPERU-AOIWGVFYSA-N	1	0	359.470	1.305	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)C[N@H+]4CC[C@H](C)C4)[C@@H]3C2)cn1	ZINC000975214507	801010920	/nfs/dbraw/zinc/01/09/20/801010920.db2.gz	BWAIUGFXAAVKSN-KVSKMBFKSA-N	1	0	366.465	1.078	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)C[N@H+]4CCC[C@H]4C)[C@@H]3C2)cn1	ZINC000975215235	801012788	/nfs/dbraw/zinc/01/27/88/801012788.db2.gz	XEPLTRSIQFUXIF-SZVBFZGTSA-N	1	0	366.465	1.220	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnnn2C(C)C)C1	ZINC001027117114	801013880	/nfs/dbraw/zinc/01/38/80/801013880.db2.gz	QGPIDKOHRIBZNC-VYDXJSESSA-N	1	0	362.478	1.173	20	30		FDEDRO
C=CC[C@]1(C(=O)N[C@@H]2CCN(Cc3ccc(OC)cc3)C2=O)CCC[NH2+]1	ZINC000662616363	806881801	/nfs/dbraw/zinc/88/18/01/806881801.db2.gz	SRCGHMBEEGOXOT-YLJYHZDGSA-N	1	0	357.454	1.611	20	30		FDEDRO
CC(F)(F)C1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)CC1	ZINC001112530915	806904185	/nfs/dbraw/zinc/90/41/85/806904185.db2.gz	UXZFXIBLLSGIKA-GUYCJALGSA-N	1	0	368.428	1.280	20	30		FDEDRO
C=CC[C@]1(C(=O)N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CCC[NH2+]1	ZINC000662646853	806922909	/nfs/dbraw/zinc/92/29/09/806922909.db2.gz	PCQJSSPTVJAOIP-FXAWDEMLSA-N	1	0	373.453	1.624	20	30		FDEDRO
C#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2cc(C3CC3)nn2)C1	ZINC001087429380	806925616	/nfs/dbraw/zinc/92/56/16/806925616.db2.gz	GTKJUXYLIMAFTQ-UYAOXDASSA-N	1	0	363.465	1.763	20	30		FDEDRO
C=CC[C@]1(C(=O)NCc2ccc(S(=O)(=O)NCC)cc2)CCC[NH2+]1	ZINC000662655881	806926709	/nfs/dbraw/zinc/92/67/09/806926709.db2.gz	JIIKKCMYTMHHRQ-QGZVFWFLSA-N	1	0	351.472	1.299	20	30		FDEDRO
C[N@H+](CC(=O)N1CC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21)C1CCC1	ZINC000975638882	801810365	/nfs/dbraw/zinc/81/03/65/801810365.db2.gz	JEUXKURQBMQRKD-YJBOKZPZSA-N	1	0	369.469	1.434	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)[C@H](C)C4CC4)C[C@@H]32)CC1	ZINC000975644357	801828542	/nfs/dbraw/zinc/82/85/42/801828542.db2.gz	NEXQWKXWNVJEKU-KPFFTGBYSA-N	1	0	371.525	1.827	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1	ZINC000660865709	801866750	/nfs/dbraw/zinc/86/67/50/801866750.db2.gz	TYHHKTUYPQIQAS-ZWKOTPCHSA-N	1	0	350.507	1.391	20	30		FDEDRO
CC[C@@H](C(=O)N1CC[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]21)[NH+](C)C	ZINC000975666549	801888334	/nfs/dbraw/zinc/88/83/34/801888334.db2.gz	XCCWMEHGBJZGEN-JQFCIGGWSA-N	1	0	357.458	1.290	20	30		FDEDRO
CC1CC[NH+](CC(=O)N2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)CC1	ZINC000975698914	802050913	/nfs/dbraw/zinc/05/09/13/802050913.db2.gz	SWWRXWPELHJXGO-OALUTQOASA-N	1	0	357.498	1.581	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC(C)(F)F)C2	ZINC001112524950	802845442	/nfs/dbraw/zinc/84/54/42/802845442.db2.gz	QFZGBOWUEWIZDJ-GLJUWKHASA-N	1	0	357.445	1.941	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1	ZINC000976051385	802900416	/nfs/dbraw/zinc/90/04/16/802900416.db2.gz	HGSGUUMPHNHBJQ-MHORFTMASA-N	1	0	373.497	1.123	20	30		FDEDRO
C=CC[N@@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@H](C)COC	ZINC000661244422	803095853	/nfs/dbraw/zinc/09/58/53/803095853.db2.gz	UBSLUHSRBWFJAH-CYBMUJFWSA-N	1	0	355.460	1.186	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cscn1	ZINC000976405589	803323946	/nfs/dbraw/zinc/32/39/46/803323946.db2.gz	RPFSBMVXKFLIDD-FMKPAKJESA-N	1	0	360.483	1.398	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@]23CC[N@H+](C2)CCC3)c1	ZINC000976473308	803427959	/nfs/dbraw/zinc/42/79/59/803427959.db2.gz	KVWJNHIMEYXNPC-QINHECLXSA-N	1	0	369.469	1.529	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCOCCO)C2)CCC1	ZINC001112525254	803467368	/nfs/dbraw/zinc/46/73/68/803467368.db2.gz	IJCGHUQOJSQJLD-PXNSSMCTSA-N	1	0	350.503	1.960	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC000976539865	803491676	/nfs/dbraw/zinc/49/16/76/803491676.db2.gz	SPRRFBWGQBJIHC-JFIYKMOQSA-N	1	0	371.485	1.916	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)CC1	ZINC000976536143	803504897	/nfs/dbraw/zinc/50/48/97/803504897.db2.gz	CUIJWLKHFVUUPA-IAGOWNOFSA-N	1	0	371.485	1.775	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1	ZINC000423082378	814956822	/nfs/dbraw/zinc/95/68/22/814956822.db2.gz	FAVWJKCNVAFVOZ-GOSISDBHSA-N	1	0	354.454	1.507	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cn(CCCC[NH3+])nn1	ZINC000423112345	814971628	/nfs/dbraw/zinc/97/16/28/814971628.db2.gz	JUOXFPLFFCQEMZ-UHFFFAOYSA-N	1	0	358.402	1.754	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C[C@@H](C)[NH2+]1	ZINC000423158070	814977593	/nfs/dbraw/zinc/97/75/93/814977593.db2.gz	WDOIGZYFWANOMM-HUUCEWRRSA-N	1	0	370.453	1.137	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1	ZINC000423184768	814983619	/nfs/dbraw/zinc/98/36/19/814983619.db2.gz	IPRJCMKYTPNWNE-ZWKOTPCHSA-N	1	0	352.438	1.283	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1c1ccccc1	ZINC001211669398	804044518	/nfs/dbraw/zinc/04/45/18/804044518.db2.gz	ZAQDBMTZKWBWIH-GOEBONIOSA-N	1	0	371.416	1.049	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CCC[C@H](C[NH2+]C)C1	ZINC000423169731	814987254	/nfs/dbraw/zinc/98/72/54/814987254.db2.gz	KIUDZQQFWIBLOX-QGZVFWFLSA-N	1	0	359.470	1.668	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1	ZINC000423171722	814987661	/nfs/dbraw/zinc/98/76/61/814987661.db2.gz	PSWPJNNEBHIWIT-DLBZAZTESA-N	1	0	357.454	1.278	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CCC[C@@H]([NH2+]C)C1	ZINC000423208918	814992334	/nfs/dbraw/zinc/99/23/34/814992334.db2.gz	FMHJINQBYZMDAR-OAHLLOKOSA-N	1	0	360.414	1.320	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CCC[C@H]([NH2+]C)C1	ZINC000423208917	814992378	/nfs/dbraw/zinc/99/23/78/814992378.db2.gz	FMHJINQBYZMDAR-HNNXBMFYSA-N	1	0	360.414	1.320	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1	ZINC000423194238	814997238	/nfs/dbraw/zinc/99/72/38/814997238.db2.gz	YQFFDRKFMSWIBJ-MAUKXSAKSA-N	1	0	354.454	1.516	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+](C)C[C@H]2COCCO2)c(OC)c1	ZINC000661607208	804244483	/nfs/dbraw/zinc/24/44/83/804244483.db2.gz	QBNFJPSBFKDPDI-SJORKVTESA-N	1	0	351.443	1.511	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C(C)C)CC1)C2	ZINC001112525641	804359253	/nfs/dbraw/zinc/35/92/53/804359253.db2.gz	BZJLQAFKGKTKFV-UWVAXJGDSA-N	1	0	359.514	1.779	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C(C)C)CC1)C2	ZINC001112525642	804361323	/nfs/dbraw/zinc/36/13/23/804361323.db2.gz	BZJLQAFKGKTKFV-ZWOKBUDYSA-N	1	0	359.514	1.779	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC2CC1(C[NH3+])C2	ZINC000662924159	804452073	/nfs/dbraw/zinc/45/20/73/804452073.db2.gz	YKVLDLJCRLMUSA-UHFFFAOYSA-N	1	0	353.875	1.866	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C1	ZINC000662958365	804705864	/nfs/dbraw/zinc/70/58/64/804705864.db2.gz	BWKBQLDJIAQCAX-QILLFSRXSA-N	1	0	359.445	1.894	20	30		FDEDRO
C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1	ZINC001027502590	804710464	/nfs/dbraw/zinc/71/04/64/804710464.db2.gz	XPVQDONNHXCSNW-QRVBRYPASA-N	1	0	365.518	1.365	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4cnsn4)[C@@H]3C2)cc1	ZINC001075570396	804813555	/nfs/dbraw/zinc/81/35/55/804813555.db2.gz	JSGPILUHNKZSEZ-WMLDXEAASA-N	1	0	369.450	1.787	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)C12CC[NH+](CC1)C2	ZINC000977793625	804940701	/nfs/dbraw/zinc/94/07/01/804940701.db2.gz	DKUUIOPCVTZYOY-ZACQAIPSSA-N	1	0	361.486	1.123	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CCN2C(=O)[C@@H]2C[C@H]2CCC)CC1	ZINC000977855870	805004419	/nfs/dbraw/zinc/00/44/19/805004419.db2.gz	SOUKRRPADUPFLC-GUDVDZBRSA-N	1	0	359.514	1.827	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1c1ccccc1	ZINC001211675082	805170192	/nfs/dbraw/zinc/17/01/92/805170192.db2.gz	LTMSAXLEVWXZNO-YDZRNGNQSA-N	1	0	353.466	1.496	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCc2cnn(CC)c2)C1	ZINC001027585792	805173806	/nfs/dbraw/zinc/17/38/06/805173806.db2.gz	PLTMHTUDJJKOAI-QRVBRYPASA-N	1	0	360.502	1.959	20	30		FDEDRO
C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1	ZINC000423361974	815054606	/nfs/dbraw/zinc/05/46/06/815054606.db2.gz	HHMKQXARIQJNNE-LJQANCHMSA-N	1	0	370.497	1.097	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]2CN(C)C(=O)[C@]23C[C@H]2CCC3)CC1	ZINC000978153956	805242219	/nfs/dbraw/zinc/24/22/19/805242219.db2.gz	WGXVUUIAWWENHT-LVCYWYKZSA-N	1	0	357.498	1.581	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(CF)CCC2)C[C@H]1c1ccccc1	ZINC001211676085	805282571	/nfs/dbraw/zinc/28/25/71/805282571.db2.gz	CFMIYHNHKUXHLL-ZWKOTPCHSA-N	1	0	371.456	1.460	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCO[C@H]3c3ccnn3CC)[C@@H]2C1	ZINC000978280625	805333300	/nfs/dbraw/zinc/33/33/00/805333300.db2.gz	JQYURWNMDWSEPM-ZQOJQMTGSA-N	1	0	356.470	1.298	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@H]1c1ccccc1	ZINC001211680073	805501967	/nfs/dbraw/zinc/50/19/67/805501967.db2.gz	GAAHLMWCRADALM-BHYGNILZSA-N	1	0	365.499	1.084	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cccnn2)C[C@H]1c1ccccc1	ZINC001211695085	806988126	/nfs/dbraw/zinc/98/81/26/806988126.db2.gz	JUGFTBMMFVZNSF-PKOBYXMFSA-N	1	0	350.422	1.324	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1	ZINC001167913512	807012512	/nfs/dbraw/zinc/01/25/12/807012512.db2.gz	QVABQPYRQFHYFF-FHLIZLRMSA-N	1	0	359.470	1.585	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@]2(C)CCNC(=O)C2)C1	ZINC001087430292	807055256	/nfs/dbraw/zinc/05/52/56/807055256.db2.gz	HRQJAIJTUMBVPT-KNKQGSTJSA-N	1	0	367.493	1.900	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1	ZINC000423468342	815091774	/nfs/dbraw/zinc/09/17/74/815091774.db2.gz	YHDUACZKXUTZSS-UHFFFAOYSA-N	1	0	359.470	1.829	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccn(C)c(=O)c2)C1	ZINC001087430985	807144395	/nfs/dbraw/zinc/14/43/95/807144395.db2.gz	UTAMMOHSSMDKGJ-WOJBJXKFSA-N	1	0	363.461	1.997	20	30		FDEDRO
CC1(C)CN(C(=O)C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC[NH2+]1	ZINC000423528504	815101150	/nfs/dbraw/zinc/10/11/50/815101150.db2.gz	OLBUYCSGSOFVDX-IAGOWNOFSA-N	1	0	354.454	1.495	20	30		FDEDRO
Cc1cnn(CC(=O)N2CC[C@H]3CN(Cc4cc(F)ccc4C#N)C[C@H]32)c1	ZINC001075594724	807289122	/nfs/dbraw/zinc/28/91/22/807289122.db2.gz	KMVKUOIIUGPLBP-QFBILLFUSA-N	1	0	367.428	1.935	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(C)CC)C1	ZINC001112532493	807375701	/nfs/dbraw/zinc/37/57/01/807375701.db2.gz	FJVBTVZFUVRHDV-CLWJZODNSA-N	1	0	363.502	1.274	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1	ZINC000981167465	807631858	/nfs/dbraw/zinc/63/18/58/807631858.db2.gz	QYCUYZQQNDOYDM-JJRVBVJISA-N	1	0	357.458	1.385	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CC(=O)NCC(F)(F)F)C[C@H]1c1ccccc1	ZINC001211698503	807793754	/nfs/dbraw/zinc/79/37/54/807793754.db2.gz	RNJAVHRSYOZDOJ-LSDHHAIUSA-N	1	0	367.371	1.272	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3ccc[nH]3)C2)CC1	ZINC000981544966	808116198	/nfs/dbraw/zinc/11/61/98/808116198.db2.gz	ZAJCUOCGSMCRBL-DOTOQJQBSA-N	1	0	356.470	1.375	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1	ZINC000981583303	808184557	/nfs/dbraw/zinc/18/45/57/808184557.db2.gz	SSONQYMONASGMG-DLBZAZTESA-N	1	0	358.486	1.785	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccoc2CC)C1	ZINC000981625322	808253629	/nfs/dbraw/zinc/25/36/29/808253629.db2.gz	LLCHUYBWTHPWSL-JZXOWHBKSA-N	1	0	371.481	1.954	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@H]3CCCC[N@H+]3C)C2)cn1	ZINC000981683805	808336380	/nfs/dbraw/zinc/33/63/80/808336380.db2.gz	BBSTZSMKAQNAKI-KFKAGJAMSA-N	1	0	368.481	1.562	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+]([C@H]1CCCNC1=O)C2	ZINC000981776628	808476350	/nfs/dbraw/zinc/47/63/50/808476350.db2.gz	SQFRLSRFCQNZFI-IKGGRYGDSA-N	1	0	361.486	1.171	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)cn1	ZINC000981843571	808606249	/nfs/dbraw/zinc/60/62/49/808606249.db2.gz	LVOREOYQFGDTIL-KFKAGJAMSA-N	1	0	368.481	1.562	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nc1	ZINC000981843694	808606988	/nfs/dbraw/zinc/60/69/88/808606988.db2.gz	OZMWYWRTHOFWJH-OKZBNKHCSA-N	1	0	368.481	1.419	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)C[N@H+]3CCC[C@H]3C)C2)nc1	ZINC000981847453	808623691	/nfs/dbraw/zinc/62/36/91/808623691.db2.gz	ASKKCXHBWDGXKG-BPQIPLTHSA-N	1	0	368.481	1.562	20	30		FDEDRO
CN(C)C(=[NH+]Cc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)N(C)C	ZINC000261890465	815224439	/nfs/dbraw/zinc/22/44/39/815224439.db2.gz	SYJCWWJLPWCQQX-LJQANCHMSA-N	1	0	357.458	1.891	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c(C)c[nH]c1CC(N)=O)C2	ZINC001112533341	808674462	/nfs/dbraw/zinc/67/44/62/808674462.db2.gz	CZUXACOPVNEQKB-YWZLYKJASA-N	1	0	358.486	1.759	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1	ZINC001087435730	808814614	/nfs/dbraw/zinc/81/46/14/808814614.db2.gz	DKJRPZLQJPSWNP-FGTMMUONSA-N	1	0	356.470	1.608	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CNC(=O)c2cscn2)C[C@H]1c1ccccc1	ZINC001211703179	808910737	/nfs/dbraw/zinc/91/07/37/808910737.db2.gz	YOVAVDRQWNNOGN-JKSUJKDBSA-N	1	0	370.478	1.643	20	30		FDEDRO
C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC001028193231	808956346	/nfs/dbraw/zinc/95/63/46/808956346.db2.gz	RKSFKSLNHKMKEC-JENIJYKNSA-N	1	0	356.470	1.758	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)C1=CC[N@H+](C)CC1	ZINC000279384738	808958147	/nfs/dbraw/zinc/95/81/47/808958147.db2.gz	JQCAZPYMTWFFDO-CYBMUJFWSA-N	1	0	357.458	1.820	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3cc(C#N)cn3C(C)(C)C)[C@H]2C1	ZINC000279409296	808975978	/nfs/dbraw/zinc/97/59/78/808975978.db2.gz	NNSYZEDJTDKUEF-CABCVRRESA-N	1	0	357.458	1.606	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000418605191	809024085	/nfs/dbraw/zinc/02/40/85/809024085.db2.gz	AGSKPTOXYVWKSQ-HNNXBMFYSA-N	1	0	374.407	1.856	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn(CCOC)c2)C[C@H]1c1ccccc1	ZINC001211715584	809142472	/nfs/dbraw/zinc/14/24/72/809142472.db2.gz	DIXPQPZOBLQKLQ-VQTJNVASSA-N	1	0	366.465	1.751	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1	ZINC001087439904	809184845	/nfs/dbraw/zinc/18/48/45/809184845.db2.gz	ZQYJJHQEFZWZFC-QZTJIDSGSA-N	1	0	367.449	1.037	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1	ZINC000418820264	809244402	/nfs/dbraw/zinc/24/44/02/809244402.db2.gz	FCIVJAHVWHPVIS-BDXSIMOUSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1	ZINC000418834732	809256038	/nfs/dbraw/zinc/25/60/38/809256038.db2.gz	RVVFVGOYWYCKPX-WNRNVDISSA-N	1	0	357.454	1.037	20	30		FDEDRO
C[C@@H]1CCCN(C(=O)C(=O)NCCSCc2ccccc2C#N)[C@H]1C[NH3+]	ZINC000418920983	809315109	/nfs/dbraw/zinc/31/51/09/809315109.db2.gz	LKRXERYPBNWAPS-PBHICJAKSA-N	1	0	374.510	1.493	20	30		FDEDRO
N#Cc1ccccc1OC1CCC(NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1	ZINC000419031511	809435266	/nfs/dbraw/zinc/43/52/66/809435266.db2.gz	ITQGWOIJXPWGFX-AQFXKWCLSA-N	1	0	370.453	1.233	20	30		FDEDRO
C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000419110764	809583729	/nfs/dbraw/zinc/58/37/29/809583729.db2.gz	ILVZKLBABCHMGF-SWLSCSKDSA-N	1	0	367.371	1.287	20	30		FDEDRO
O=C(NCC#C[C@@H]1CCCCO1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000893740610	809693548	/nfs/dbraw/zinc/69/35/48/809693548.db2.gz	JJTLVQFOMNZNIF-OTWHNJEPSA-N	1	0	363.502	1.626	20	30		FDEDRO
CCOc1ccccc1C(=O)N1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1	ZINC000424085418	815309579	/nfs/dbraw/zinc/30/95/79/815309579.db2.gz	CXCDGUMFTGZKME-MRXNPFEDSA-N	1	0	358.442	1.391	20	30		FDEDRO
C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1	ZINC000473292476	809726830	/nfs/dbraw/zinc/72/68/30/809726830.db2.gz	CKTTWNOBRUQJEJ-AWEZNQCLSA-N	1	0	358.417	1.826	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2	ZINC000424165135	815321499	/nfs/dbraw/zinc/32/14/99/815321499.db2.gz	YEICQFRSJIKZCN-IXDOHACOSA-N	1	0	358.486	1.872	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1	ZINC000424185135	815320036	/nfs/dbraw/zinc/32/00/36/815320036.db2.gz	FJIHKOWHCWISDU-HUUCEWRRSA-N	1	0	356.405	1.536	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COC[C@H]2CCCO2)C[C@H]1c1ccccc1	ZINC001211738874	809934477	/nfs/dbraw/zinc/93/44/77/809934477.db2.gz	WVDLMGLOOSVXFS-HSALFYBXSA-N	1	0	356.466	1.790	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2nnn(C)c2C)C1	ZINC001087453964	810041584	/nfs/dbraw/zinc/04/15/84/810041584.db2.gz	UNTODGITTBCFIM-QZTJIDSGSA-N	1	0	369.444	1.874	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2COC(=O)N2)C1	ZINC001087454907	810054170	/nfs/dbraw/zinc/05/41/70/810054170.db2.gz	PTWJGUAWEIGHMX-BRWVUGGUSA-N	1	0	361.417	1.784	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[C@H]2CCNC2=O)C1	ZINC001087455695	810064935	/nfs/dbraw/zinc/06/49/35/810064935.db2.gz	IPOLUUWUJGUKGK-BHIYHBOVSA-N	1	0	371.456	1.649	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCCNC2=O)C1	ZINC001087455762	810066032	/nfs/dbraw/zinc/06/60/32/810066032.db2.gz	MBAIVEOGWAPBFN-KZNAEPCWSA-N	1	0	359.445	1.812	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[C@@H]2CCC(=O)N2)C1	ZINC001087458780	810287120	/nfs/dbraw/zinc/28/71/20/810287120.db2.gz	UODJDOHEWVDNTL-IPMKNSEASA-N	1	0	371.456	1.792	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)CN2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)c1	ZINC000419334060	810506784	/nfs/dbraw/zinc/50/67/84/810506784.db2.gz	UYVZVTCSYCZYCL-MOPGFXCFSA-N	1	0	372.513	1.937	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)C1	ZINC001028543870	810629008	/nfs/dbraw/zinc/62/90/08/810629008.db2.gz	UZPYICVVYOYCQE-BHIYHBOVSA-N	1	0	353.466	1.391	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cn2cnnn2)C1	ZINC001087462218	810772532	/nfs/dbraw/zinc/77/25/32/810772532.db2.gz	ZABGUWUAUNTHPI-IAGOWNOFSA-N	1	0	358.421	1.363	20	30		FDEDRO
N#Cc1ccc(N2C[C@]3(COCC[N@@H+]([C@H]4C[C@H]5C[C@H]5C4)C3)OCC2=O)cc1	ZINC001167929669	810823813	/nfs/dbraw/zinc/82/38/13/810823813.db2.gz	ZCFOBKZMTAKRTM-QRKMNUTDSA-N	1	0	367.449	1.791	20	30		FDEDRO
C[C@@H](OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)N(C)CCC#N	ZINC000729252514	811076818	/nfs/dbraw/zinc/07/68/18/811076818.db2.gz	FDHNLYLGGRGRCX-GFCCVEGCSA-N	1	0	371.353	1.698	20	30		FDEDRO
C#CCN(C(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000729334507	811153303	/nfs/dbraw/zinc/15/33/03/811153303.db2.gz	REXIAIZUYQTJGK-GOSISDBHSA-N	1	0	360.479	1.545	20	30		FDEDRO
CC[NH+]=C(NCc1nccn1C(F)F)N1CCO[C@H](c2cnn(C)c2)C1	ZINC000261718589	811304031	/nfs/dbraw/zinc/30/40/31/811304031.db2.gz	IECSQYZOIYBZRQ-ZDUSSCGKSA-N	1	0	367.404	1.551	20	30		FDEDRO
C[NH+]=C(NC[C@]1(O)CCc2ccccc21)N1CCO[C@@H](c2cnn(C)c2)C1	ZINC000261768556	811316701	/nfs/dbraw/zinc/31/67/01/811316701.db2.gz	NUGVKFHLCUQVGI-UYAOXDASSA-N	1	0	369.469	1.203	20	30		FDEDRO
C[NH+]=C(NCc1nnc(C)n1C)N[C@@H](C)c1cccc(-n2cccn2)c1	ZINC000261960974	811354276	/nfs/dbraw/zinc/35/42/76/811354276.db2.gz	KDCSUQHRUBDSKN-ZDUSSCGKSA-N	1	0	352.446	1.735	20	30		FDEDRO
Cc1nnc(CNC(=[NH+]C2CCCC2)N2CC[C@H](c3cnn(C)c3)C2)n1C	ZINC000261993093	811362878	/nfs/dbraw/zinc/36/28/78/811362878.db2.gz	RVPMDCFWGXNZAZ-HNNXBMFYSA-N	1	0	370.505	1.735	20	30		FDEDRO
Cc1ccn2cc(CNC(=[NH2+])N3CCN(c4ncccn4)CC3)nc2c1	ZINC000262011234	811366876	/nfs/dbraw/zinc/36/68/76/811366876.db2.gz	UHKUDQPOOIZOMR-UHFFFAOYSA-N	1	0	350.430	1.070	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000982826947	811401812	/nfs/dbraw/zinc/40/18/12/811401812.db2.gz	IMMJJHQPTRJOLD-UKPHBRMFSA-N	1	0	357.458	1.195	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@H]1CCN(c2ccccn2)C1)=[NH+]C1CCCCC1	ZINC000262355090	811448804	/nfs/dbraw/zinc/44/88/04/811448804.db2.gz	ZQUIFBWEDRIZRY-KRWDZBQOSA-N	1	0	372.517	1.616	20	30		FDEDRO
C[NH+]=C(NCCn1cnc2ccccc21)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000262446029	811468902	/nfs/dbraw/zinc/46/89/02/811468902.db2.gz	IQMXWTMAJFSZKU-OAHLLOKOSA-N	1	0	351.458	1.835	20	30		FDEDRO
C[NH+]=C(NCC(=O)Nc1cccc(F)c1)N1CC[C@H](c2cnn(C)c2)C1	ZINC000262479875	811476079	/nfs/dbraw/zinc/47/60/79/811476079.db2.gz	RDBQTPLUIUYAMC-ZDUSSCGKSA-N	1	0	358.421	1.563	20	30		FDEDRO
C[NH+]=C(NC[C@@H](O)C1CCCCC1)N1CCN(C(=O)c2ccco2)CC1	ZINC000262569623	811495412	/nfs/dbraw/zinc/49/54/12/811495412.db2.gz	MODMVVBCRLFAPD-MRXNPFEDSA-N	1	0	362.474	1.554	20	30		FDEDRO
C=CCC1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CCOCC1	ZINC000424831802	815452655	/nfs/dbraw/zinc/45/26/55/815452655.db2.gz	IUEIDKLZHKYCCG-ALOPSCKCSA-N	1	0	363.502	1.559	20	30		FDEDRO
CC(C)(C)N1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)C1=O	ZINC001075700459	815462324	/nfs/dbraw/zinc/46/23/24/815462324.db2.gz	QXUZKOSGDCKZRI-RRQGHBQHSA-N	1	0	369.469	1.432	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](CNC(=O)[C@]34C[C@H]3CCC4)C2)CC1	ZINC000982866853	811755796	/nfs/dbraw/zinc/75/57/96/811755796.db2.gz	QXABXAFWAKLJAW-YRISNDGFSA-N	1	0	357.498	1.487	20	30		FDEDRO
CCNC(=O)CN1CCCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1	ZINC000280430263	811823046	/nfs/dbraw/zinc/82/30/46/811823046.db2.gz	XLGYQJBEQLMCOW-UHFFFAOYSA-N	1	0	356.470	1.772	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000982899189	811907392	/nfs/dbraw/zinc/90/73/92/811907392.db2.gz	XNNCUUUPVIUPPN-IXDOHACOSA-N	1	0	358.486	1.593	20	30		FDEDRO
N#CCC[C@@H](NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)c1ccccc1	ZINC000419470961	811965919	/nfs/dbraw/zinc/96/59/19/811965919.db2.gz	GAUNECMQKSOALV-QGZVFWFLSA-N	1	0	354.454	1.750	20	30		FDEDRO
C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@@H](CCC#N)c1ccccc1	ZINC000419479687	811971756	/nfs/dbraw/zinc/97/17/56/811971756.db2.gz	VBSYOACSFKSDCG-BPUTZDHNSA-N	1	0	358.442	1.377	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)CC(F)F)C[C@H]1C(F)(F)F	ZINC001112133492	815519433	/nfs/dbraw/zinc/51/94/33/815519433.db2.gz	NSUFGBPUCUOVRS-QJPTWQEYSA-N	1	0	356.335	1.906	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1	ZINC000366504565	813392650	/nfs/dbraw/zinc/39/26/50/813392650.db2.gz	DIZDNZHJASZHBG-JZXOWHBKSA-N	1	0	352.438	1.748	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C	ZINC000420044476	813420882	/nfs/dbraw/zinc/42/08/82/813420882.db2.gz	TTZMIHPSILNDLK-WMLDXEAASA-N	1	0	372.469	1.524	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+]	ZINC000420066743	813432094	/nfs/dbraw/zinc/43/20/94/813432094.db2.gz	RBRSZNKFJIXMII-RDGPPVDQSA-N	1	0	368.481	1.918	20	30		FDEDRO
C[C@]1(CNC(=O)C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)CCC[NH2+]C1	ZINC000420126985	813490173	/nfs/dbraw/zinc/49/01/73/813490173.db2.gz	SHXUTIMOTVRGBW-LQWHRVPQSA-N	1	0	368.481	1.791	20	30		FDEDRO
C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1	ZINC000420176452	813514563	/nfs/dbraw/zinc/51/45/63/813514563.db2.gz	ZTJPPEUMXRQWHK-KBXCAEBGSA-N	1	0	352.438	1.431	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1	ZINC000420195962	813548547	/nfs/dbraw/zinc/54/85/47/813548547.db2.gz	ABOFRDBNCPFYAX-IPMKNSEASA-N	1	0	355.482	1.748	20	30		FDEDRO
C[NH+]=C(NCC1(C2CC2)CCC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1	ZINC000261817839	813563947	/nfs/dbraw/zinc/56/39/47/813563947.db2.gz	UCIQEZUQCSNQOD-SFHVURJKSA-N	1	0	361.490	1.452	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CCC(=O)N2CCN(c3ccccn3)CC2)cc1F	ZINC000421326342	814093060	/nfs/dbraw/zinc/09/30/60/814093060.db2.gz	NOJPDZMKIUHMJX-UHFFFAOYSA-N	1	0	367.428	1.921	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3cccc(OCCCC#N)c3)[C@@H]2C1	ZINC000272346024	814664898	/nfs/dbraw/zinc/66/48/98/814664898.db2.gz	PVGBJHJSUBXCSW-CRAIPNDOSA-N	1	0	370.453	1.860	20	30		FDEDRO
Cc1cc(C2CC[NH+](CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CC2)[nH]n1	ZINC000273040567	814786258	/nfs/dbraw/zinc/78/62/58/814786258.db2.gz	WOVACLVVVPUCCN-LJQANCHMSA-N	1	0	372.517	1.590	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(=[NH2+])NCc2ccc(OC)c(OC)c2)[C@]12CCCO2	ZINC000273465589	814795135	/nfs/dbraw/zinc/79/51/35/814795135.db2.gz	JHWXLXTZGRRLFG-YQVWRLOYSA-N	1	0	363.458	1.835	20	30		FDEDRO
N#Cc1ccc(CNC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)s1	ZINC000422219355	814802224	/nfs/dbraw/zinc/80/22/24/814802224.db2.gz	NZTBIUSYNNMGTH-MRXNPFEDSA-N	1	0	370.478	1.838	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1	ZINC001028801645	815678693	/nfs/dbraw/zinc/67/86/93/815678693.db2.gz	AQHQXIOROXUZBC-UHOFOFEASA-N	1	0	360.483	1.282	20	30		FDEDRO
CC(C)(C)N1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)C1=O	ZINC001075709517	815766503	/nfs/dbraw/zinc/76/65/03/815766503.db2.gz	KEATUHGNGRLMIJ-RRQGHBQHSA-N	1	0	369.469	1.432	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1	ZINC001087465912	815867214	/nfs/dbraw/zinc/86/72/14/815867214.db2.gz	PSJQDXHUDNXDTN-GUDVDZBRSA-N	1	0	371.456	1.792	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(C)(C)C	ZINC001167957272	815887560	/nfs/dbraw/zinc/88/75/60/815887560.db2.gz	UWSLBJXGROYXMW-JYJNAYRXSA-N	1	0	353.507	1.757	20	30		FDEDRO
C[C@]1(NC(=O)NCCn2cnc(C#N)n2)CC[N@H+](Cc2ccccc2)C1	ZINC000514864949	816019032	/nfs/dbraw/zinc/01/90/32/816019032.db2.gz	BRNOWSKPWQFJLO-SFHVURJKSA-N	1	0	353.430	1.114	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(OC)c(OCC(N)=O)c(OC)c1	ZINC000435748598	816164351	/nfs/dbraw/zinc/16/43/51/816164351.db2.gz	GCEXHGPLPIHXCC-RDTXWAMCSA-N	1	0	364.442	1.639	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1	ZINC000515377531	816234356	/nfs/dbraw/zinc/23/43/56/816234356.db2.gz	LYHBOSOPZZURJM-IRXDYDNUSA-N	1	0	359.474	1.224	20	30		FDEDRO
C=CCn1cc(CNC(=O)NCc2ccc(OCC[NH+](C)C)cc2)nn1	ZINC000425420713	816252366	/nfs/dbraw/zinc/25/23/66/816252366.db2.gz	LIRRACIPCSTIGE-UHFFFAOYSA-N	1	0	358.446	1.404	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN(Cc2nc(N(C)C)no2)C1	ZINC001028862414	816299385	/nfs/dbraw/zinc/29/93/85/816299385.db2.gz	RBZHYNCIVVWMBW-DZKIICNBSA-N	1	0	363.462	1.055	20	30		FDEDRO
Cc1oc(C#N)cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C	ZINC000436156215	816351763	/nfs/dbraw/zinc/35/17/63/816351763.db2.gz	RSCWWOFPHYIWIN-SFHVURJKSA-N	1	0	368.437	1.479	20	30		FDEDRO
C=CCn1cc(CNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1	ZINC000425521992	816445848	/nfs/dbraw/zinc/44/58/48/816445848.db2.gz	ZTXITGDPPYGOOS-QGZVFWFLSA-N	1	0	354.458	1.785	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@]2(C)CNC(=O)C2)C1	ZINC001087466478	816603326	/nfs/dbraw/zinc/60/33/26/816603326.db2.gz	VCYFDYNDSMNHNS-HLIPFELVSA-N	1	0	359.445	1.812	20	30		FDEDRO
C=CCN(C[C@H](O)C[N@H+](C)C1CC1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000516216442	816709212	/nfs/dbraw/zinc/70/92/12/816709212.db2.gz	HIFUXLLBOKEMEA-HNAYVOBHSA-N	1	0	356.474	1.666	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3cc[nH]c(=O)c3c2)CC1	ZINC000425736015	816939179	/nfs/dbraw/zinc/93/91/79/816939179.db2.gz	GTVYMTXAWMLIEJ-UHFFFAOYSA-N	1	0	354.410	1.646	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C)sn4)[C@@H]3C2)C1=O	ZINC001075735483	816956638	/nfs/dbraw/zinc/95/66/38/816956638.db2.gz	TXIADJHBTNYNTD-CWRNSKLLSA-N	1	0	360.483	1.385	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C	ZINC000425796214	817039512	/nfs/dbraw/zinc/03/95/12/817039512.db2.gz	OELJJBBPYJMVLQ-JQFCIGGWSA-N	1	0	373.453	1.718	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1	ZINC000425796637	817044501	/nfs/dbraw/zinc/04/45/01/817044501.db2.gz	ROPYQQPAISZSMQ-LPHOPBHVSA-N	1	0	371.481	1.969	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC	ZINC000425870467	817273049	/nfs/dbraw/zinc/27/30/49/817273049.db2.gz	WJGFGMNUWBLOPD-FHWLQOOXSA-N	1	0	373.497	1.893	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000425891193	817313623	/nfs/dbraw/zinc/31/36/23/817313623.db2.gz	SRLTUCFEQGLBEF-OTWHNJEPSA-N	1	0	371.481	1.475	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn3cccnc23)C[C@H]1C(F)(F)F	ZINC001112141401	817537414	/nfs/dbraw/zinc/53/74/14/817537414.db2.gz	ZUJMZYBESGFWNR-CHWSQXEVSA-N	1	0	351.332	1.345	20	30		FDEDRO
C[NH+]=C(NC[C@H](O)c1cc(OC)cc(OC)c1)N1CC[C@@]2(CCOC2)C1	ZINC000261954631	817622303	/nfs/dbraw/zinc/62/23/03/817622303.db2.gz	ILHWFKJSGWEHHJ-PKOBYXMFSA-N	1	0	363.458	1.425	20	30		FDEDRO
C[NH+]=C(NCc1cccnc1-n1ccnc1C)N1CC[C@@]2(CCOC2)C1	ZINC000261973053	817878598	/nfs/dbraw/zinc/87/85/98/817878598.db2.gz	NFFUWALYJJASJO-LJQANCHMSA-N	1	0	354.458	1.764	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cncn2)C1	ZINC001112146848	818058749	/nfs/dbraw/zinc/05/87/49/818058749.db2.gz	QUJYWDMYXFLMHO-ZIAGYGMSSA-N	1	0	357.380	1.451	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)c2ccc[nH]2)CC1	ZINC000983610931	818166309	/nfs/dbraw/zinc/16/63/09/818166309.db2.gz	OFSHIYXFQQQWRR-AEFFLSMTSA-N	1	0	370.497	1.717	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2cnnn2C)C1	ZINC001087474207	818247403	/nfs/dbraw/zinc/24/74/03/818247403.db2.gz	QYHZBZLDTLNJSK-ROUUACIJSA-N	1	0	369.469	1.988	20	30		FDEDRO
C#CCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001087474569	818267274	/nfs/dbraw/zinc/26/72/74/818267274.db2.gz	MVLUYOOFYOSGSR-DBOLQNLKSA-N	1	0	369.509	1.943	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2[nH]nnc2C)C1	ZINC001087475403	818319232	/nfs/dbraw/zinc/31/92/32/818319232.db2.gz	GCOYOFIGXKTHOL-ROUUACIJSA-N	1	0	367.453	1.733	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)Cc2nc[nH]n2)C1	ZINC001087476338	818373832	/nfs/dbraw/zinc/37/38/32/818373832.db2.gz	GSBPZFATRCQLNX-ROUUACIJSA-N	1	0	367.453	1.353	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3ccncc3)C2)C1=O	ZINC000983707318	818635645	/nfs/dbraw/zinc/63/56/45/818635645.db2.gz	CNTUKLBQCDDUQU-HZZCBIDNSA-N	1	0	368.481	1.456	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)C1=O	ZINC000983719833	818702508	/nfs/dbraw/zinc/70/25/08/818702508.db2.gz	OHCYLGRJBIHQBY-RRQVMCLOSA-N	1	0	357.498	1.860	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)c1nnnn1C1CC1	ZINC001167985774	818774362	/nfs/dbraw/zinc/77/43/62/818774362.db2.gz	MMTQCMJZYBIIKM-KBMXLJTQSA-N	1	0	362.478	1.536	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccncc4C)[C@@H]3C2)C1=O	ZINC001075769956	818919652	/nfs/dbraw/zinc/91/96/52/818919652.db2.gz	ZGFPNLWPUMTLOH-RYQLBKOJSA-N	1	0	354.454	1.323	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@H](C)[NH2+]Cc2cnn(C)n2)CC1	ZINC001029155406	818949371	/nfs/dbraw/zinc/94/93/71/818949371.db2.gz	CMNSYPHARMVDKR-WBAXXEDZSA-N	1	0	361.490	1.513	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]Cc2cccc(C(=O)NC3CC3)c2)cc1	ZINC000519817953	819074224	/nfs/dbraw/zinc/07/42/24/819074224.db2.gz	IPWOKTNHOLFIAV-LJQANCHMSA-N	1	0	365.433	1.980	20	30		FDEDRO
CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)C(=O)NC3(C#N)CCCCC3)[C@H]2C1	ZINC000519848357	819097008	/nfs/dbraw/zinc/09/70/08/819097008.db2.gz	MUBJBBISGOKDTB-UBDQQSCGSA-N	1	0	360.502	1.954	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)cc1	ZINC000520220071	819258482	/nfs/dbraw/zinc/25/84/82/819258482.db2.gz	QIVSETHEXDRYNA-UKRRQHHQSA-N	1	0	371.359	1.441	20	30		FDEDRO
COc1cc(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)ccc1C#N	ZINC000894947681	819381161	/nfs/dbraw/zinc/38/11/61/819381161.db2.gz	GYAREEPWJQDYNT-DLBZAZTESA-N	1	0	358.442	1.307	20	30		FDEDRO
CSC1(CNC(=O)N2CCC3(CC2)CC(=O)C=CO3)CC[NH+](C)CC1	ZINC000894956359	819391797	/nfs/dbraw/zinc/39/17/97/819391797.db2.gz	WQWXIHQPUPQFBV-UHFFFAOYSA-N	1	0	367.515	1.861	20	30		FDEDRO
O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000328733856	819549139	/nfs/dbraw/zinc/54/91/39/819549139.db2.gz	HZSIMJRBYGMMJY-HZPDHXFCSA-N	1	0	364.490	1.986	20	30		FDEDRO
COC[C@@H]1CCN(C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)C1	ZINC000328787724	819556887	/nfs/dbraw/zinc/55/68/87/819556887.db2.gz	JQFUJOSANGYQFD-QGZVFWFLSA-N	1	0	374.485	1.457	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C(=O)[C@H]3CCCCN3C2=O)C1	ZINC000328893053	819579568	/nfs/dbraw/zinc/57/95/68/819579568.db2.gz	UVVUNMWPKXFJFT-HUUCEWRRSA-N	1	0	366.462	1.116	20	30		FDEDRO
Cc1noc([C@@H]2CCN(C(=O)NCC3([NH+]4CCCC4)CCOCC3)C2)n1	ZINC000328936056	819583691	/nfs/dbraw/zinc/58/36/91/819583691.db2.gz	ANZPKSLARWXHEP-OAHLLOKOSA-N	1	0	363.462	1.726	20	30		FDEDRO
CCN1C(=O)CC[C@H](C(=O)NCCN2CC[NH+](C)CC2)[C@H]1c1ccncc1	ZINC000328953310	819587351	/nfs/dbraw/zinc/58/73/51/819587351.db2.gz	IELNSZSWYYRQPZ-PKOBYXMFSA-N	1	0	373.501	1.585	20	30		FDEDRO
O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)[C@H]1CCc2n[nH]nc2C1	ZINC000328956581	819588424	/nfs/dbraw/zinc/58/84/24/819588424.db2.gz	JERGHCWJRCHTJL-JYJNAYRXSA-N	1	0	355.442	1.502	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)C[NH+]2CCCC2)cn1	ZINC000983805706	819591645	/nfs/dbraw/zinc/59/16/45/819591645.db2.gz	ONDRTWUUKUWTJH-APWZRJJASA-N	1	0	368.481	1.516	20	30		FDEDRO
CN1C(=O)C[C@@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)[C@@H]1c1ccc(F)c(F)c1	ZINC000328917460	819593027	/nfs/dbraw/zinc/59/30/27/819593027.db2.gz	AXCIYWLDQKMPJO-VMGRFDJRSA-N	1	0	366.412	1.787	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CC[N@H+](C)C2)nc1	ZINC000983808923	819621596	/nfs/dbraw/zinc/62/15/96/819621596.db2.gz	PYFKJSPXDRJLLL-NXHRZFHOSA-N	1	0	368.481	1.372	20	30		FDEDRO
COc1cc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)cc(OC)c1OC	ZINC000330635639	819629860	/nfs/dbraw/zinc/62/98/60/819629860.db2.gz	UPYSKBNSQFOPOV-UHFFFAOYSA-N	1	0	367.446	1.646	20	30		FDEDRO
CC[C@@H]1CN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CCO1	ZINC000331161290	819668778	/nfs/dbraw/zinc/66/87/78/819668778.db2.gz	GEZIBDBODLZKTJ-MRXNPFEDSA-N	1	0	368.522	1.638	20	30		FDEDRO
Cc1cccc(NC(=O)NCC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c1	ZINC000331274142	819672173	/nfs/dbraw/zinc/67/21/73/819672173.db2.gz	HTDNBSJFNMURLR-OAHLLOKOSA-N	1	0	362.474	1.625	20	30		FDEDRO
CCCNC(=O)[C@H]1CCCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1	ZINC000331307600	819677635	/nfs/dbraw/zinc/67/76/35/819677635.db2.gz	SJFPEFXFGUVNJJ-INIZCTEOSA-N	1	0	367.538	1.165	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)[C@H]2CC23CC3)CC1	ZINC000983850542	819784655	/nfs/dbraw/zinc/78/46/55/819784655.db2.gz	GBOYWUQFXFYYMC-NZSAHSFTSA-N	1	0	371.525	1.875	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2C[C@H]2C)CC1	ZINC000983965680	820328909	/nfs/dbraw/zinc/32/89/09/820328909.db2.gz	VFLYRZZZIXRDGE-ZAWLATJESA-N	1	0	359.514	1.731	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1	ZINC000665183124	820547471	/nfs/dbraw/zinc/54/74/71/820547471.db2.gz	UYIARDWPATWHFS-OTWHNJEPSA-N	1	0	359.470	1.644	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(OCCOC)c2)CC1	ZINC000442310485	821129569	/nfs/dbraw/zinc/12/95/69/821129569.db2.gz	YEAZHRKGOHKBHE-UHFFFAOYSA-N	1	0	361.442	1.417	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2CCO[C@H]2c2ccccc2)C1=O	ZINC001168084755	828339834	/nfs/dbraw/zinc/33/98/34/828339834.db2.gz	AJWRDNQFOHWQFO-QYZOEREBSA-N	1	0	371.481	1.647	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cc1	ZINC000895192653	821604139	/nfs/dbraw/zinc/60/41/39/821604139.db2.gz	JWSIFALBYFHSCY-MOPGFXCFSA-N	1	0	357.454	1.439	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)[C@@H]2CC)cc1	ZINC001087628357	821808837	/nfs/dbraw/zinc/80/88/37/821808837.db2.gz	POASKNOZJGTHTA-ZWKOTPCHSA-N	1	0	359.470	1.922	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)cn2)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087663566	821959790	/nfs/dbraw/zinc/95/97/90/821959790.db2.gz	RMAARELKUJPKHL-GOEBONIOSA-N	1	0	371.466	1.496	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)n2C)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087687156	822041199	/nfs/dbraw/zinc/04/11/99/822041199.db2.gz	PKDGZELSGIOPPR-UONOGXRCSA-N	1	0	359.455	1.842	20	30		FDEDRO
C=CCCCC(=O)N1C[C@H]2C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@@]2(C)C1	ZINC001101346790	822299255	/nfs/dbraw/zinc/29/92/55/822299255.db2.gz	HXTXEAZDYFUYMO-AEFFLSMTSA-N	1	0	371.547	1.405	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cnon2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001087768955	822403240	/nfs/dbraw/zinc/40/32/40/822403240.db2.gz	BQWOQOYCFBUKQP-DOTOQJQBSA-N	1	0	355.398	1.755	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCN(CC=C)C3=O)[C@@H]2CC)nc1	ZINC001087802366	822462257	/nfs/dbraw/zinc/46/22/57/822462257.db2.gz	MHHQTMQZDTXLOC-QXAKKESOSA-N	1	0	366.465	1.433	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCN(C(C)=O)C2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087812142	822476009	/nfs/dbraw/zinc/47/60/09/822476009.db2.gz	XRFZUFUOHCBRIV-HSALFYBXSA-N	1	0	368.481	1.896	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3nccs3)[C@@H]2CC)CC1	ZINC001087840475	822559666	/nfs/dbraw/zinc/55/96/66/822559666.db2.gz	ZEJKHDOWSDOIJB-DLBZAZTESA-N	1	0	360.527	1.957	20	30		FDEDRO
C=CCOc1ccc(C[NH2+]C[C@]2(C(=O)OC)C[C@@H]2S(C)(=O)=O)cc1	ZINC000895508495	822631655	/nfs/dbraw/zinc/63/16/55/822631655.db2.gz	SJYYQCBMYIMWLO-DOTOQJQBSA-N	1	0	353.440	1.317	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cc[n+]([O-])cc4)C[C@@H]3C2)c1	ZINC001087874915	822672848	/nfs/dbraw/zinc/67/28/48/822672848.db2.gz	VBXRYKYZPXDCHZ-UXHICEINSA-N	1	0	362.433	1.786	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(C)nc4)C[C@@H]3C2)C1=O	ZINC001087887480	822724994	/nfs/dbraw/zinc/72/49/94/822724994.db2.gz	IOWLKMCXFKRESU-QYZOEREBSA-N	1	0	368.481	1.571	20	30		FDEDRO
Cc1c(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)cnn1CCC#N	ZINC000895784468	822741205	/nfs/dbraw/zinc/74/12/05/822741205.db2.gz	IOTSBMKYBZGWET-UHFFFAOYSA-N	1	0	352.442	1.895	20	30		FDEDRO
O=C(c1cnns1)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001087896933	822752348	/nfs/dbraw/zinc/75/23/48/822752348.db2.gz	DDBGCPZRVVUQNO-SJORKVTESA-N	1	0	352.463	1.984	20	30		FDEDRO
O=C([C@@H]1CCOC1)N1C[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)CC[C@@H]2C1	ZINC001087902560	822779317	/nfs/dbraw/zinc/77/93/17/822779317.db2.gz	FPMHHOVTYYBQFT-QRVBRYPASA-N	1	0	356.441	1.994	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3nc[nH]c3C2)C[C@H]1C(F)(F)F	ZINC001112190323	828530348	/nfs/dbraw/zinc/53/03/48/828530348.db2.gz	VZAKUADQQAOPBH-YWPYICTPSA-N	1	0	354.376	1.517	20	30		FDEDRO
O=C([C@H]1CCC(=O)N1)N1C[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)CC[C@@H]2C1	ZINC001087909268	823754728	/nfs/dbraw/zinc/75/47/28/823754728.db2.gz	HBPLKTVAZROPIB-ZIFCJYIRSA-N	1	0	369.440	1.236	20	30		FDEDRO
Cc1c(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4)CC[C@@H]3C2)nnn1C	ZINC001087918492	823894239	/nfs/dbraw/zinc/89/42/39/823894239.db2.gz	YWPLSGLADIGWND-MSOLQXFVSA-N	1	0	364.453	1.589	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)CCc3nnc[nH]3)C[C@@H]2C1	ZINC001087925718	823938858	/nfs/dbraw/zinc/93/88/58/823938858.db2.gz	AKWOJMYDLYXJAC-MSOLQXFVSA-N	1	0	364.453	1.589	20	30		FDEDRO
C[C@H](c1cnccn1)[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C1	ZINC001087938786	824017226	/nfs/dbraw/zinc/01/72/26/824017226.db2.gz	KYJQBQOOLSNMEW-KFWWJZLASA-N	1	0	350.426	1.831	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4coc(C)n4)C[C@@H]3C2)C1=O	ZINC001087944562	824048385	/nfs/dbraw/zinc/04/83/85/824048385.db2.gz	FYCKDHXMULAEHP-HLLBOEOZSA-N	1	0	358.442	1.164	20	30		FDEDRO
CO[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1NC(=O)CSCC#N	ZINC001211886546	824161199	/nfs/dbraw/zinc/16/11/99/824161199.db2.gz	NRRDCHMGPLJCCQ-IAGOWNOFSA-N	1	0	358.467	1.740	20	30		FDEDRO
CCn1nncc1C(=O)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001087958083	824166941	/nfs/dbraw/zinc/16/69/41/824166941.db2.gz	XRCDDDKIMUQSBD-MOPGFXCFSA-N	1	0	363.465	1.744	20	30		FDEDRO
COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ncc[nH]4)C[C@@H]3C2)cc1C#N	ZINC001087960515	824191455	/nfs/dbraw/zinc/19/14/55/824191455.db2.gz	ZAZHRKOVRBQHIJ-WBVHZDCISA-N	1	0	365.437	1.884	20	30		FDEDRO
N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4nccn4)C[C@@H]3C2)c1	ZINC001087980901	824348289	/nfs/dbraw/zinc/34/82/89/824348289.db2.gz	ZNXHWDLSTPHOLY-WBVHZDCISA-N	1	0	368.416	1.269	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3[nH]c4ccccc4c3C#N)CC2)C1	ZINC000896390170	824376727	/nfs/dbraw/zinc/37/67/27/824376727.db2.gz	NOOGVHQIJNUXED-OAHLLOKOSA-N	1	0	351.454	1.892	20	30		FDEDRO
COC(=O)[C@](C)(C[NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)c1ccc(F)cc1	ZINC000447030228	828643996	/nfs/dbraw/zinc/64/39/96/828643996.db2.gz	UILRZSIJIAPZME-SCLBCKFNSA-N	1	0	361.417	1.797	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)N2Cc3cccnc3N3CCC[C@@H]3C2)C1	ZINC000896489399	824440949	/nfs/dbraw/zinc/44/09/49/824440949.db2.gz	NOZCEBZGACHTKW-QZTJIDSGSA-N	1	0	353.470	1.673	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)N[C@H](C)C[NH+]2CCCCC2)C1	ZINC000329032963	824539961	/nfs/dbraw/zinc/53/99/61/824539961.db2.gz	LWLXZGZNFCTBPU-IKGGRYGDSA-N	1	0	366.506	1.487	20	30		FDEDRO
CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2=O)C[C@@H]1C	ZINC000329037794	824540431	/nfs/dbraw/zinc/54/04/31/824540431.db2.gz	NHKUZRCOPHVGNR-OFQRWUPVSA-N	1	0	362.478	1.244	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C1	ZINC000329079668	824562931	/nfs/dbraw/zinc/56/29/31/824562931.db2.gz	QYSKNLLRWFNUOR-XBVQOTNRSA-N	1	0	364.490	1.095	20	30		FDEDRO
C[C@H](NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)[C@@H]1C[N@H+](C)CCN1C	ZINC000896560182	824567484	/nfs/dbraw/zinc/56/74/84/824567484.db2.gz	MSHFRGVQFZEAKK-IPELMVKDSA-N	1	0	355.486	1.278	20	30		FDEDRO
C=CC[N@@H+](C)CCN(CC)[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1	ZINC000429700885	828664273	/nfs/dbraw/zinc/66/42/73/828664273.db2.gz	JKFOKSJYMDTEHS-HNNXBMFYSA-N	1	0	355.490	2.120	20	30		FDEDRO
CC(C)[C@H](CNC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1)[NH+]1CCN(C)CC1	ZINC000329114613	824601391	/nfs/dbraw/zinc/60/13/91/824601391.db2.gz	MEFSEMUIEBMQNN-ZIFCJYIRSA-N	1	0	368.522	1.100	20	30		FDEDRO
C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@]3(C2)NC(=O)N(C)C3=O)C1	ZINC000329235365	824686388	/nfs/dbraw/zinc/68/63/88/824686388.db2.gz	INMDXZFBAAWBRI-ACJLOTCBSA-N	1	0	365.478	1.241	20	30		FDEDRO
CN1C(=O)N[C@@]2(CCN(C(=O)NC[C@H](C3CCCCC3)[NH+](C)C)C2)C1=O	ZINC000329244513	824693009	/nfs/dbraw/zinc/69/30/09/824693009.db2.gz	PWGYQSFPOCZGLC-RDTXWAMCSA-N	1	0	365.478	1.241	20	30		FDEDRO
CC(C)[C@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)c1nncn1C	ZINC000329250737	824695733	/nfs/dbraw/zinc/69/57/33/824695733.db2.gz	XTUSPYDCVWOSLU-ZBFHGGJFSA-N	1	0	364.494	1.611	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccc(NC(=O)c3cnn(C)c3C#N)cc2)CC1	ZINC000474866432	824714035	/nfs/dbraw/zinc/71/40/35/824714035.db2.gz	DSAATSHQSMKMLC-UHFFFAOYSA-N	1	0	352.442	1.682	20	30		FDEDRO
CCO[C@@H](CNC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1)C[NH+](C)C	ZINC000896683732	824788686	/nfs/dbraw/zinc/78/86/86/824788686.db2.gz	VJMYZNFLINOPBI-ROUUACIJSA-N	1	0	360.458	1.608	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCNC(=O)C[C@H]1c1ccccc1	ZINC000329456596	824806137	/nfs/dbraw/zinc/80/61/37/824806137.db2.gz	NKGUSHQJKLKELF-SJORKVTESA-N	1	0	359.474	1.550	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)CC1CC[NH+](C)CC1	ZINC000984781676	824877318	/nfs/dbraw/zinc/87/73/18/824877318.db2.gz	DYRZRMYKYYIINB-FUHWJXTLSA-N	1	0	371.485	1.728	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)n3nnnc3C(C)(C)C)C[C@@H]2C1	ZINC001087989530	824928613	/nfs/dbraw/zinc/92/86/13/824928613.db2.gz	KWLORWBHRWWYMF-XHSDSOJGSA-N	1	0	358.490	1.335	20	30		FDEDRO
C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC001088336182	828724045	/nfs/dbraw/zinc/72/40/45/828724045.db2.gz	XNEIKPNKUWAAEO-MJBXVCDLSA-N	1	0	350.381	1.880	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nc(C3CC3)nn2C)C1	ZINC000984825835	825032159	/nfs/dbraw/zinc/03/21/59/825032159.db2.gz	HGOAGXRONWBCIG-MIGQKNRLSA-N	1	0	359.474	1.268	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3c3ncccn3)C[C@@H]2C1	ZINC001088000278	825059671	/nfs/dbraw/zinc/05/96/71/825059671.db2.gz	XXODMGGIBUACMC-SQNIBIBYSA-N	1	0	353.470	1.249	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccn3)CC[C@@H]2C1	ZINC001087998189	825076524	/nfs/dbraw/zinc/07/65/24/825076524.db2.gz	WATUKBHFORNZSV-HBFSDRIKSA-N	1	0	352.482	1.460	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1)=[NH+]C1CCCC1	ZINC000262316876	825126542	/nfs/dbraw/zinc/12/65/42/825126542.db2.gz	QVAITMGEUSAOHD-GDBMZVCRSA-N	1	0	365.522	1.199	20	30		FDEDRO
C[N@H+](Cc1ccc(C#N)c(F)c1)C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1	ZINC000985651212	828746323	/nfs/dbraw/zinc/74/63/23/828746323.db2.gz	QRSHQNYVDXFUFI-CVEARBPZSA-N	1	0	358.417	1.242	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C)nn2CCC#N)[C@H](C)C1	ZINC000525901846	828759252	/nfs/dbraw/zinc/75/92/52/828759252.db2.gz	RMZMFAQOWRMPQY-UKRRQHHQSA-N	1	0	360.462	1.232	20	30		FDEDRO
Cc1noc(CN2CCN(C(=O)NC3CC[NH+](CC4CC4)CC3)CC2)n1	ZINC000329686530	825302385	/nfs/dbraw/zinc/30/23/85/825302385.db2.gz	UYLYOQAAAQIWML-UHFFFAOYSA-N	1	0	362.478	1.284	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3nnc(-c4ccco4)n3)C[C@@H]2C1	ZINC001088022847	825356885	/nfs/dbraw/zinc/35/68/85/825356885.db2.gz	BRTUPQNNIHVTPD-CVEARBPZSA-N	1	0	370.457	1.680	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@@H]2CCc3[nH]cnc3C2)CC1	ZINC000329725774	825384300	/nfs/dbraw/zinc/38/43/00/825384300.db2.gz	GJJZZKUTJJHYHS-HZPDHXFCSA-N	1	0	360.506	1.283	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnc(CC)n2C)C1	ZINC000984919590	825461890	/nfs/dbraw/zinc/46/18/90/825461890.db2.gz	IWVZOEYNNVLGRM-XSWJXKHESA-N	1	0	361.490	1.343	20	30		FDEDRO
CC[NH+]1CCN(c2cccc(NC(=O)N3C[C@H]4OCCN(C)[C@H]4C3)c2)CC1	ZINC000329925833	825545915	/nfs/dbraw/zinc/54/59/15/825545915.db2.gz	KCZLQNYHRSGCPV-RBUKOAKNSA-N	1	0	373.501	1.389	20	30		FDEDRO
CCN1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)C[C@H]1c1ncc[nH]1	ZINC000329972754	825572213	/nfs/dbraw/zinc/57/22/13/825572213.db2.gz	WJTABUMHUBZNCR-KRWDZBQOSA-N	1	0	360.506	1.877	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3csc(-c4ncc[nH]4)n3)C[C@@H]2C1	ZINC001088047019	825589873	/nfs/dbraw/zinc/58/98/73/825589873.db2.gz	AICQCQSFCMZQPO-KGLIPLIRSA-N	1	0	355.467	1.950	20	30		FDEDRO
C[C@@]1(C(=O)N2C[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)CC[C@@H]3C2)CNC(=O)C1	ZINC001088050546	825599351	/nfs/dbraw/zinc/59/93/51/825599351.db2.gz	LLMIZZNOKGXVAC-LQWHRVPQSA-N	1	0	366.465	1.365	20	30		FDEDRO
O=C(NCC1(O)CCOCC1)NCC1(C[NH+]2CCOCC2)CCCCC1	ZINC000330158085	825690404	/nfs/dbraw/zinc/69/04/04/825690404.db2.gz	PTPYNPIFVPUSSK-UHFFFAOYSA-N	1	0	369.506	1.314	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CC(=O)Nc2ccc3c(c2)OCO3)CC1	ZINC000330157789	825691138	/nfs/dbraw/zinc/69/11/38/825691138.db2.gz	ZLDSYPHOQKNKDO-OAHLLOKOSA-N	1	0	374.441	1.242	20	30		FDEDRO
C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1	ZINC000330213417	825736883	/nfs/dbraw/zinc/73/68/83/825736883.db2.gz	KWQJILGBUGOVBC-HLLBOEOZSA-N	1	0	366.506	1.221	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CCOC4(CCC4)C3)cn2)CC1	ZINC000330215320	825736957	/nfs/dbraw/zinc/73/69/57/825736957.db2.gz	MIHFXTPLNYFBKM-QGZVFWFLSA-N	1	0	373.501	1.939	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)CC1	ZINC000330300123	825828578	/nfs/dbraw/zinc/82/85/78/825828578.db2.gz	MXFYQINLAOUQND-KSZLIROESA-N	1	0	356.470	1.695	20	30		FDEDRO
C#C[C@@H](NC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C(C)C	ZINC000281091683	825872604	/nfs/dbraw/zinc/87/26/04/825872604.db2.gz	PBLRRFZLMDUTRC-RTBURBONSA-N	1	0	370.497	1.841	20	30		FDEDRO
Cn1ncc(I)c1C[NH2+]C[C@@H](O)CC(C)(C)C#N	ZINC000872241499	832058469	/nfs/dbraw/zinc/05/84/69/832058469.db2.gz	DIMYSDHKBRYNSA-VIFPVBQESA-N	1	0	362.215	1.415	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1	ZINC000281501125	825972179	/nfs/dbraw/zinc/97/21/79/825972179.db2.gz	IECFSENBOAJXDS-GOSISDBHSA-N	1	0	354.454	1.546	20	30		FDEDRO
CN1CC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)CC[C@@H]3C2)C1=O	ZINC001088074191	825987826	/nfs/dbraw/zinc/98/78/26/825987826.db2.gz	FDQHCUHSILEHBE-CEXWTWQISA-N	1	0	366.465	1.317	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3n[nH]cc3C)[C@@H]2CC)CC1	ZINC000984988955	826004296	/nfs/dbraw/zinc/00/42/96/826004296.db2.gz	MPWHALWOJYXRBN-DLBZAZTESA-N	1	0	371.485	1.173	20	30		FDEDRO
CN1C(=O)CC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001088078005	826063972	/nfs/dbraw/zinc/06/39/72/826063972.db2.gz	DBSXZQDALAAUPS-HSALFYBXSA-N	1	0	365.477	1.439	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCCc3nc(C)no3)CC[C@@H]2C1	ZINC001088113232	826445533	/nfs/dbraw/zinc/44/55/33/826445533.db2.gz	WJHMYHHKTPFLME-XDNAFOTISA-N	1	0	374.485	1.682	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4cnc(C)cn4)CC[C@@H]3C2)nn1	ZINC001088133642	826574743	/nfs/dbraw/zinc/57/47/43/826574743.db2.gz	SRUCURSSGOGQOK-CVEARBPZSA-N	1	0	367.457	1.157	20	30		FDEDRO
C=C(C)COCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000475078956	826652053	/nfs/dbraw/zinc/65/20/53/826652053.db2.gz	DTJGEFOGVSORDC-RBUKOAKNSA-N	1	0	361.486	1.761	20	30		FDEDRO
C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(=O)n(CC)n3)C[C@@H]2C1	ZINC001088143005	826688787	/nfs/dbraw/zinc/68/87/87/826688787.db2.gz	PBVFJEULFZFGOK-KGLIPLIRSA-N	1	0	350.850	1.410	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3NC(=O)c4ccccc43)C[C@@H]2C1	ZINC001088147128	826737921	/nfs/dbraw/zinc/73/79/21/826737921.db2.gz	LEWFFDMSHWECHZ-GJYPPUQNSA-N	1	0	351.450	1.665	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CCN1C(=O)C#CC1CC1	ZINC000985188077	826776248	/nfs/dbraw/zinc/77/62/48/826776248.db2.gz	HJNIFGNVMRRTDY-ZWKOTPCHSA-N	1	0	350.422	1.857	20	30		FDEDRO
[NH2+]=C(NCCc1nnc2n1CCCCC2)N[C@H]1CCOc2ccccc21	ZINC000262436747	826800365	/nfs/dbraw/zinc/80/03/65/826800365.db2.gz	CIQALQMCJANWGE-HNNXBMFYSA-N	1	0	354.458	1.975	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCCS2(=O)=O)C[C@H]1C(F)(F)F	ZINC001112177871	826815863	/nfs/dbraw/zinc/81/58/63/826815863.db2.gz	FZOMBRFKFRDNTG-YRGRVCCFSA-N	1	0	368.421	1.509	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2CC)nc1	ZINC000985210487	826934097	/nfs/dbraw/zinc/93/40/97/826934097.db2.gz	YGZNCFSPJHXQDZ-PKOBYXMFSA-N	1	0	368.481	1.514	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3coc(C4CCOCC4)n3)C[C@@H]2C1	ZINC001088163583	826947109	/nfs/dbraw/zinc/94/71/09/826947109.db2.gz	VYURTYGQXJRKCA-SJORKVTESA-N	1	0	357.454	1.986	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@@H]1CC	ZINC000985219682	826950549	/nfs/dbraw/zinc/95/05/49/826950549.db2.gz	XEJVUPKVTDPVJH-XUVXKRRUSA-N	1	0	367.493	1.800	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1cccc(C)c1	ZINC001168060069	827071251	/nfs/dbraw/zinc/07/12/51/827071251.db2.gz	CJJAWXJVQNOEAL-RBUKOAKNSA-N	1	0	370.497	1.957	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCC)CC1	ZINC000928660185	827154570	/nfs/dbraw/zinc/15/45/70/827154570.db2.gz	LHNGDCDGAQEJIC-GOSISDBHSA-N	1	0	357.454	1.558	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000985312326	827228949	/nfs/dbraw/zinc/22/89/49/827228949.db2.gz	BIFVUVONJSIBOO-OWIUFQIYSA-N	1	0	371.485	1.726	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cn(CC)cn4)C[C@@H]3C2)C1=O	ZINC001088172655	827244302	/nfs/dbraw/zinc/24/43/02/827244302.db2.gz	XRSFSXPPYFOTGA-RYRKJORJSA-N	1	0	371.485	1.084	20	30		FDEDRO
O=C([C@@H]1CCC(=O)N1)N1C[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)CC[C@@H]2C1	ZINC001088176627	827272617	/nfs/dbraw/zinc/27/26/17/827272617.db2.gz	HBPLKTVAZROPIB-AOIWGVFYSA-N	1	0	369.440	1.236	20	30		FDEDRO
N#Cc1cccc([C@@H]2CN(C(=O)C3C[NH+](C4CCOCC4)C3)CCO2)c1	ZINC000897252902	827399845	/nfs/dbraw/zinc/39/98/45/827399845.db2.gz	QLHQRUIKRGDKMP-IBGZPJMESA-N	1	0	355.438	1.569	20	30		FDEDRO
C[NH+]=C(NCCc1cn2c(n1)CCCC2)N1CC[C@@H]([NH+]2CCCCC2)C1	ZINC000262487687	827425606	/nfs/dbraw/zinc/42/56/06/827425606.db2.gz	TWHVIKCRZPEBRW-GOSISDBHSA-N	1	0	358.534	1.898	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(CNC(C)=O)c3)C[C@@H]2C1	ZINC001088205765	827463745	/nfs/dbraw/zinc/46/37/45/827463745.db2.gz	LEVYSHRPDDEOOD-UXHICEINSA-N	1	0	353.466	1.740	20	30		FDEDRO
Cc1nonc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)CC[C@@H]2C1	ZINC001088220799	827548324	/nfs/dbraw/zinc/54/83/24/827548324.db2.gz	VXCVTAKXEYEOCW-OLZOCXBDSA-N	1	0	357.439	1.905	20	30		FDEDRO
C=C(Cl)CN1CC[C@@H](OCC2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1	ZINC001088237917	827642313	/nfs/dbraw/zinc/64/23/13/827642313.db2.gz	GUEJJVXMQZEWLZ-OAGGEKHMSA-N	1	0	369.893	1.190	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CO[C@H]2CC[N@@H+](CCF)C2)CC1	ZINC001088238315	827650879	/nfs/dbraw/zinc/65/08/79/827650879.db2.gz	QWPLVRVURIMLHS-KSZLIROESA-N	1	0	354.466	1.877	20	30		FDEDRO
C[NH+](C)CCCOC1CCN(C(=O)NCc2nc(C#N)cs2)CC1	ZINC000897291449	827758520	/nfs/dbraw/zinc/75/85/20/827758520.db2.gz	OWVHAUIKPIQAMW-UHFFFAOYSA-N	1	0	351.476	1.657	20	30		FDEDRO
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCc1nc(C#N)cs1	ZINC000897296407	827763246	/nfs/dbraw/zinc/76/32/46/827763246.db2.gz	KOTKWZUQYNRODF-UHFFFAOYSA-N	1	0	350.492	1.182	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)C3CC(F)(F)C3)[C@H]2C)CC1	ZINC000987578192	833261129	/nfs/dbraw/zinc/26/11/29/833261129.db2.gz	ZIWJVTFLRWPHGA-CJNGLKHVSA-N	1	0	367.440	1.483	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCCC2)N1CC[C@H](C(=O)OC(C)(C)C)C1	ZINC000179092397	827924653	/nfs/dbraw/zinc/92/46/53/827924653.db2.gz	LOEVBONRRWMFLK-ZDUSSCGKSA-N	1	0	362.478	1.353	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1	ZINC000665797579	827925921	/nfs/dbraw/zinc/92/59/21/827925921.db2.gz	HQASBOFVMKYQFC-GOSISDBHSA-N	1	0	372.469	1.665	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2cnnn2CC)C1	ZINC001029741410	827958580	/nfs/dbraw/zinc/95/85/80/827958580.db2.gz	SKLCBMZOLKGPIH-NXHRZFHOSA-N	1	0	361.490	1.560	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C	ZINC000523240961	828154288	/nfs/dbraw/zinc/15/42/88/828154288.db2.gz	QXRKQBOWXALLEL-NVXWUHKLSA-N	1	0	372.469	1.384	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1	ZINC001088348342	828902950	/nfs/dbraw/zinc/90/29/50/828902950.db2.gz	QRQDOHDJAJBUSV-XHSDSOJGSA-N	1	0	371.909	1.913	20	30		FDEDRO
C[N@H+]([C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1(CCO)CCOCC1	ZINC000447892220	828928880	/nfs/dbraw/zinc/92/88/80/828928880.db2.gz	UFYAQJCUYDOMEL-GOSISDBHSA-N	1	0	357.454	1.917	20	30		FDEDRO
C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1	ZINC001088351835	828981951	/nfs/dbraw/zinc/98/19/51/828981951.db2.gz	MVBZGXWZYMXLFE-OTWHNJEPSA-N	1	0	365.518	1.413	20	30		FDEDRO
C=CC[N@@H+](C)C1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1	ZINC000985693804	829014147	/nfs/dbraw/zinc/01/41/47/829014147.db2.gz	DDBNWCLANSKGFX-PKOBYXMFSA-N	1	0	356.470	1.710	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@@H+](C)[C@H]2CCN(CC)C2=O)CC1	ZINC000985695115	829023001	/nfs/dbraw/zinc/02/30/01/829023001.db2.gz	RONLNOUNYXZUPA-BZSNNMDCSA-N	1	0	363.502	1.511	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cncc2ccccc21	ZINC000527367175	829039309	/nfs/dbraw/zinc/03/93/09/829039309.db2.gz	AIZRHQQHHCXOFV-UHFFFAOYSA-N	1	0	353.426	1.867	20	30		FDEDRO
N#Cc1cc(CN2C[C@@H]3CCN(C(=O)C[C@H]4CCNC4=O)[C@@H]3C2)ccc1F	ZINC001075875106	829045961	/nfs/dbraw/zinc/04/59/61/829045961.db2.gz	VLDFHTRYJJOQNP-RVKKMQEKSA-N	1	0	370.428	1.256	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]C[C@H](O)COCC(F)(F)F	ZINC001168101108	829226394	/nfs/dbraw/zinc/22/63/94/829226394.db2.gz	MOWROXTYAAFJBY-IHRRRGAJSA-N	1	0	368.396	1.003	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(C(=O)N2CCCC2)CC1	ZINC000528338519	829358252	/nfs/dbraw/zinc/35/82/52/829358252.db2.gz	NPBFLDDFFOAHKO-SFHVURJKSA-N	1	0	357.454	1.632	20	30		FDEDRO
CC(=O)NC[C@@H]1CCC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000528359817	829367561	/nfs/dbraw/zinc/36/75/61/829367561.db2.gz	LOIILPMNBQSRKX-INIZCTEOSA-N	1	0	353.422	1.134	20	30		FDEDRO
N#Cc1cnc2ccccc2c1N1CC[NH+](C[C@@H](O)CC2(O)CCC2)CC1	ZINC000528367155	829372738	/nfs/dbraw/zinc/37/27/38/829372738.db2.gz	QEXBQCJIFZIMPG-KRWDZBQOSA-N	1	0	366.465	1.894	20	30		FDEDRO
C[C@@H]1CN(C[C@H](O)COc2ccccc2C#N)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000528431876	829400671	/nfs/dbraw/zinc/40/06/71/829400671.db2.gz	NTHBTUZXIGEBFX-HOJAQTOUSA-N	1	0	372.513	1.256	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(OC[C@H]2CCOC2)CC1	ZINC000528426824	829405630	/nfs/dbraw/zinc/40/56/30/829405630.db2.gz	HKIRUZRMWNBRRM-WMZOPIPTSA-N	1	0	360.454	1.815	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1	ZINC000528480581	829420180	/nfs/dbraw/zinc/42/01/80/829420180.db2.gz	FXAXQVTUVQDJJF-HZPDHXFCSA-N	1	0	353.426	1.550	20	30		FDEDRO
Cc1noc(C[C@]2(O)CCC[N@H+](C[C@H](O)COc3ccccc3C#N)C2)n1	ZINC000528528373	829436606	/nfs/dbraw/zinc/43/66/06/829436606.db2.gz	NSEHLPKMMKAZMT-QFBILLFUSA-N	1	0	372.425	1.059	20	30		FDEDRO
CN1CCC(CNC(=O)Cc2ccc(C#N)nc2)([NH+]2CCCCC2)CC1	ZINC000528675005	829506470	/nfs/dbraw/zinc/50/64/70/829506470.db2.gz	AFOZKIZRNUNNGP-UHFFFAOYSA-N	1	0	355.486	1.562	20	30		FDEDRO
Cc1cc(NC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)nn1CCC#N	ZINC000528684456	829511312	/nfs/dbraw/zinc/51/13/12/829511312.db2.gz	FZQDKGAWODZEPM-MRXNPFEDSA-N	1	0	360.462	1.728	20	30		FDEDRO
Cc1c(C#N)c(NCCN2CCN(c3ncccn3)CC2)nc2ccccc12	ZINC000450262214	829899699	/nfs/dbraw/zinc/89/96/99/829899699.db2.gz	MHLGKZSDQBFOSC-UHFFFAOYSA-N	1	0	373.464	2.439	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCC(C)([NH+]2CCOCC2)CC1	ZINC000529912260	830088245	/nfs/dbraw/zinc/08/82/45/830088245.db2.gz	KAZFKWCULHGFDP-UHFFFAOYSA-N	1	0	373.453	1.659	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@H](CCSC)NC(=O)c1ccco1	ZINC000729808473	837425100	/nfs/dbraw/zinc/42/51/00/837425100.db2.gz	CDPANVNFFRZOCG-CABCVRRESA-N	1	0	364.467	1.772	20	30		FDEDRO
C#CCN1CCC[C@H]1COC(=O)c1cccc(S(=O)(=O)NCC=C)c1	ZINC000729809002	837432442	/nfs/dbraw/zinc/43/24/42/837432442.db2.gz	IBYWDCSRDXQDDO-INIZCTEOSA-N	1	0	362.451	1.405	20	30		FDEDRO
CC(C)(C[C@@H]1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1)C(N)=O	ZINC000451217693	830296765	/nfs/dbraw/zinc/29/67/65/830296765.db2.gz	PRYYBZIZJODPHM-KRWDZBQOSA-N	1	0	356.470	1.788	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1	ZINC000451708508	830429917	/nfs/dbraw/zinc/42/99/17/830429917.db2.gz	MYOYVHARFAFLIV-IRXDYDNUSA-N	1	0	358.486	1.841	20	30		FDEDRO
C[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1)[NH+]1CCCCCC1	ZINC000986085308	830623175	/nfs/dbraw/zinc/62/31/75/830623175.db2.gz	ZQCZRYMYZZWYQN-SXLOBPIMSA-N	1	0	371.525	1.971	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CC1	ZINC000305370362	830665864	/nfs/dbraw/zinc/66/58/64/830665864.db2.gz	XEBKMNJVYYWJQW-ARFHVFGLSA-N	1	0	364.490	1.859	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CNC(=O)c2ccco2)C[C@H]1C(F)(F)F	ZINC001112202847	830677802	/nfs/dbraw/zinc/67/78/02/830677802.db2.gz	QXZGVRXKWSAHRM-VXGBXAGGSA-N	1	0	359.348	1.564	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCCCCNC(C)=O)C[C@H]1C(F)(F)F	ZINC001112204003	830917638	/nfs/dbraw/zinc/91/76/38/830917638.db2.gz	XBBZHRJRZCEBLD-HUUCEWRRSA-N	1	0	361.408	1.685	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c1	ZINC000453575079	830955351	/nfs/dbraw/zinc/95/53/51/830955351.db2.gz	SEHGYJVOGHOMRN-SFHVURJKSA-N	1	0	371.485	1.193	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)ccc1C#N	ZINC000453591042	830961521	/nfs/dbraw/zinc/96/15/21/830961521.db2.gz	ZQSWSXYWKOEKMS-UHFFFAOYSA-N	1	0	357.458	1.971	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC([N@@H+](C)C[C@@H](C)O)CC2)c1	ZINC000453711592	831036673	/nfs/dbraw/zinc/03/66/73/831036673.db2.gz	LXHIRRQAGQAMHO-CQSZACIVSA-N	1	0	358.442	1.109	20	30		FDEDRO
CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)Nc1cccc(CC#N)c1	ZINC000453736958	831050090	/nfs/dbraw/zinc/05/00/90/831050090.db2.gz	MBGGZVPXRUQLTH-UHFFFAOYSA-N	1	0	358.442	1.260	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CC[C@@H]2C1	ZINC000986366291	831556912	/nfs/dbraw/zinc/55/69/12/831556912.db2.gz	GHHKQMMLPJWTPY-SOLBZPMBSA-N	1	0	369.469	1.291	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)CC[C@@H]3C2)C1	ZINC000986422532	831653710	/nfs/dbraw/zinc/65/37/10/831653710.db2.gz	REHAWCFITFSENS-XHSDSOJGSA-N	1	0	369.469	1.149	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](CCNC(=O)C[N@@H+](C)C(C)C)C1	ZINC001059725081	831842617	/nfs/dbraw/zinc/84/26/17/831842617.db2.gz	GZULLCTULPXYNO-LNLFQRSKSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)C[N@@H+](C)CCC)C1	ZINC001059729475	831953968	/nfs/dbraw/zinc/95/39/68/831953968.db2.gz	URWXTZSAJSCTIL-KSZLIROESA-N	1	0	365.518	1.664	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@@H]2C1	ZINC000986573684	831963170	/nfs/dbraw/zinc/96/31/70/831963170.db2.gz	QGIMMGNTMURQCE-FMKPAKJESA-N	1	0	358.442	1.421	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]3C2)CC1	ZINC000986594564	832007312	/nfs/dbraw/zinc/00/73/12/832007312.db2.gz	SLISFUUUPCFVES-JQHSSLGASA-N	1	0	360.502	1.573	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)CC[C@@H]3C2)c1	ZINC000986642341	832138115	/nfs/dbraw/zinc/13/81/15/832138115.db2.gz	YHYKEGMWXSNYNQ-MJGOQNOKSA-N	1	0	366.465	1.079	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C[C@@H](O)c1ccc(F)cc1	ZINC001088511131	832320497	/nfs/dbraw/zinc/32/04/97/832320497.db2.gz	AQMKIDWJXSHDJD-PZPSRYQVSA-N	1	0	356.401	1.952	20	30		FDEDRO
Cc1csc(=O)n1CCN1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@H]1C	ZINC001088511563	832323654	/nfs/dbraw/zinc/32/36/54/832323654.db2.gz	SRCSCZWESUKPPG-OCCSQVGLSA-N	1	0	359.455	1.311	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCOCC)C1	ZINC001112215799	832370161	/nfs/dbraw/zinc/37/01/61/832370161.db2.gz	NALFKLWLNQSUIC-ZIAGYGMSSA-N	1	0	352.397	1.985	20	30		FDEDRO
C[C@@]1(C2CC2)NC(=O)N(c2ccc(CNC(=[NH2+])NC3CCC3)cc2)C1=O	ZINC000263178270	832617966	/nfs/dbraw/zinc/61/79/66/832617966.db2.gz	SZWBTGJQYGAPLU-IBGZPJMESA-N	1	0	355.442	1.868	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)CC1	ZINC000987646941	833512916	/nfs/dbraw/zinc/51/29/16/833512916.db2.gz	MDBOFBHHZOOHIR-KDOFPFPSSA-N	1	0	371.485	1.726	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1	ZINC001059845621	833792532	/nfs/dbraw/zinc/79/25/32/833792532.db2.gz	HDEUFGNQMHWRSF-BBWFWOEESA-N	1	0	365.518	1.663	20	30		FDEDRO
C=CCOCCCNC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1	ZINC000666519198	833896615	/nfs/dbraw/zinc/89/66/15/833896615.db2.gz	HIZRODGQCBIZAY-UHFFFAOYSA-N	1	0	352.523	1.638	20	30		FDEDRO
COCCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)nn1	ZINC001088560270	834339947	/nfs/dbraw/zinc/33/99/47/834339947.db2.gz	IGUBYDLSUOENOC-PBHICJAKSA-N	1	0	368.441	1.189	20	30		FDEDRO
C=CCC[C@H](CO)NC(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1	ZINC000454054058	834526217	/nfs/dbraw/zinc/52/62/17/834526217.db2.gz	JBZJGHWVUKPWFQ-QGZVFWFLSA-N	1	0	374.485	1.210	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)Cc2ccn(C)n2)CCN1CC#Cc1ccc(F)cc1	ZINC001088562189	834555520	/nfs/dbraw/zinc/55/55/20/834555520.db2.gz	IMCIPRVYMYARSK-BEFAXECRSA-N	1	0	354.429	1.732	20	30		FDEDRO
COC(=O)[C@@H]1CN(C(=O)Nc2ccc(F)cc2OCC#N)CC[N@H+](C)C1	ZINC000841671776	834681821	/nfs/dbraw/zinc/68/18/21/834681821.db2.gz	XQONDKDXNUOXRV-LBPRGKRZSA-N	1	0	364.377	1.297	20	30		FDEDRO
CCC(CC)[C@H](CNC(=O)C(=O)Nc1cc(C)nn1CCC#N)[NH+](C)C	ZINC000533003621	835620817	/nfs/dbraw/zinc/62/08/17/835620817.db2.gz	XWXBTOHMBXEBHE-HNNXBMFYSA-N	1	0	362.478	1.526	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H](C)c3ccco3)[C@@H]2C)CC1	ZINC000988505756	835645817	/nfs/dbraw/zinc/64/58/17/835645817.db2.gz	CLEOBNHHQZLWMV-JZXOWHBKSA-N	1	0	371.481	1.834	20	30		FDEDRO
CC#CCNC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1	ZINC000454738564	835650628	/nfs/dbraw/zinc/65/06/28/835650628.db2.gz	PTHOZVYGJPHDFE-UHFFFAOYSA-N	1	0	370.497	1.680	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3ccn(C)c3)[C@@H]2C)CC1	ZINC000988506354	835658600	/nfs/dbraw/zinc/65/86/00/835658600.db2.gz	KYIIQYILEZWLDB-QAPCUYQASA-N	1	0	356.470	1.090	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)/C=C(\C)C3CC3)[C@@H]2C)CC1	ZINC000988507901	835663488	/nfs/dbraw/zinc/66/34/88/835663488.db2.gz	XMIZOZOQVGYVBK-PDQXNURJSA-N	1	0	357.498	1.794	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@@H]2C)CC1	ZINC000988508171	835664087	/nfs/dbraw/zinc/66/40/87/835664087.db2.gz	ZYGYWESHBYTECS-DBDQLMEASA-N	1	0	373.497	1.005	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3ccncc3)[C@@H]2C)CC1	ZINC000988510315	835680697	/nfs/dbraw/zinc/68/06/97/835680697.db2.gz	XIJVIXGUTCYGJR-QAPCUYQASA-N	1	0	354.454	1.146	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC(CN(C)C(=O)c3ccc(C#N)[nH]3)CC2)CC[N@@H+]1C	ZINC000988543376	835850030	/nfs/dbraw/zinc/85/00/30/835850030.db2.gz	CJOWKDJVKPKAJM-RHSMWYFYSA-N	1	0	371.485	1.537	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C#C)nc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105668977	844116080	/nfs/dbraw/zinc/11/60/80/844116080.db2.gz	NSMHOLISVMSBHR-VMBXEPDQSA-N	1	0	365.477	1.666	20	30		FDEDRO
C=CCN(C(=O)NC[C@H](C)[NH+](C)C)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000455424383	836052002	/nfs/dbraw/zinc/05/20/02/836052002.db2.gz	BCXSLYMAHCRIGN-GJZGRUSLSA-N	1	0	357.462	1.871	20	30		FDEDRO
O=C(c1cn[nH]c(=O)c1)N1CC[C@H]2CN(CC#Cc3ccc(F)cc3)C[C@H]21	ZINC001075918246	836841758	/nfs/dbraw/zinc/84/17/58/836841758.db2.gz	DKUZCVZTBCUVPY-MAUKXSAKSA-N	1	0	366.396	1.519	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1OC	ZINC001212092944	837109565	/nfs/dbraw/zinc/10/95/65/837109565.db2.gz	YAAHCKYJGRAVEV-QZTJIDSGSA-N	1	0	364.490	1.298	20	30		FDEDRO
C=CCOCC(=O)OCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1	ZINC000729757919	837173700	/nfs/dbraw/zinc/17/37/00/837173700.db2.gz	COJNZOMUDOCFBI-UHFFFAOYSA-N	1	0	360.454	1.821	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000938038947	837173954	/nfs/dbraw/zinc/17/39/54/837173954.db2.gz	CFJKXLJWXVHMHD-SLFFLAALSA-N	1	0	367.493	1.658	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000938041462	837201398	/nfs/dbraw/zinc/20/13/98/837201398.db2.gz	YIOPFWJXQRCFGE-IXDOHACOSA-N	1	0	371.481	1.922	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCCC(=O)N4)[C@@H]3C2)cc1	ZINC001075923105	837303127	/nfs/dbraw/zinc/30/31/27/837303127.db2.gz	AICVWCPZQNHFFR-RCCFBDPRSA-N	1	0	352.438	1.260	20	30		FDEDRO
N#CCSCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cnsn2)C1	ZINC001112264660	844297700	/nfs/dbraw/zinc/29/77/00/844297700.db2.gz	NAKYSIVOCNXQCP-WFASDCNBSA-N	1	0	351.501	1.513	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@H]2C)nc1	ZINC000989047926	838210128	/nfs/dbraw/zinc/21/01/28/838210128.db2.gz	AGVFBVASGRRLTL-PVAVHDDUSA-N	1	0	354.454	1.124	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cnn3ccncc23)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088624740	838527684	/nfs/dbraw/zinc/52/76/84/838527684.db2.gz	YGTXQAQWJJURMK-KDOFPFPSSA-N	1	0	360.421	1.994	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C)cn1	ZINC000989161130	838533143	/nfs/dbraw/zinc/53/31/43/838533143.db2.gz	QJDSNGLGCDXDCS-JLSDUUJJSA-N	1	0	354.454	1.266	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cnn3ncccc23)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088625988	838563695	/nfs/dbraw/zinc/56/36/95/838563695.db2.gz	PCCVNMUHSJIHTR-KDOFPFPSSA-N	1	0	360.421	1.994	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cnn3ncccc23)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088627106	838589092	/nfs/dbraw/zinc/58/90/92/838589092.db2.gz	ZEHPWMKZXYMGAR-KDOFPFPSSA-N	1	0	360.421	1.994	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@](C)(C(N)=O)C(C)C)cc1	ZINC000459453413	838684973	/nfs/dbraw/zinc/68/49/73/838684973.db2.gz	AOUORAKUHHJCIJ-IBGZPJMESA-N	1	0	360.458	1.822	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3ccnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105670248	844366952	/nfs/dbraw/zinc/36/69/52/844366952.db2.gz	YSDFRDUHZYKFLC-IZBJGVDFSA-N	1	0	358.486	1.181	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]C2(C(N)=O)C3CC4CC(C3)CC2C4)cc1	ZINC000459792401	838949836	/nfs/dbraw/zinc/94/98/36/838949836.db2.gz	UOQBOJUUUMYHJU-RSQNZQOJSA-N	1	0	369.465	1.568	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC[NH+](C)C	ZINC000460036514	839244982	/nfs/dbraw/zinc/24/49/82/839244982.db2.gz	OFBLWSUBSOBEOX-QFBILLFUSA-N	1	0	373.497	1.599	20	30		FDEDRO
C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C[C@@H](C)N1CC#N	ZINC000897591735	839814028	/nfs/dbraw/zinc/81/40/28/839814028.db2.gz	HGQWVMMBOLDBCR-LFGUQSLTSA-N	1	0	369.513	1.960	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1	ZINC000897592804	839818854	/nfs/dbraw/zinc/81/88/54/839818854.db2.gz	RLIQVNKFFCHWOP-MOPGFXCFSA-N	1	0	355.482	1.892	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)c3cn4c(n3)C[C@@H](OC)CC4)[C@@H]2C1	ZINC001075938937	839838371	/nfs/dbraw/zinc/83/83/71/839838371.db2.gz	PXBLIYYIAOBEIT-XYJFISCASA-N	1	0	358.486	1.957	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3CCOCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105584168	839993876	/nfs/dbraw/zinc/99/38/76/839993876.db2.gz	FAPAQKDTXUYZDR-SOAMZJECSA-N	1	0	350.503	1.955	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105588072	840038112	/nfs/dbraw/zinc/03/81/12/840038112.db2.gz	QQRFKIVGWPADTG-SMOSDQRPSA-N	1	0	365.518	1.301	20	30		FDEDRO
C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000476161978	840052885	/nfs/dbraw/zinc/05/28/85/840052885.db2.gz	NQSNHBPBMOCZFR-IIDMSEBBSA-N	1	0	354.454	1.600	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105588279	840080179	/nfs/dbraw/zinc/08/01/79/840080179.db2.gz	UKZIKUCZTCOYBE-XCJLJZCSSA-N	1	0	371.481	1.311	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc(C)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105590743	840128260	/nfs/dbraw/zinc/12/82/60/840128260.db2.gz	MRAFWCPYFKIBAL-LBKNJMOBSA-N	1	0	358.486	1.941	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc(C)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105591586	840144130	/nfs/dbraw/zinc/14/41/30/840144130.db2.gz	RPYGRYVIKIXDEQ-UIXUWTQFSA-N	1	0	356.470	1.388	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(C)c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105594326	840533343	/nfs/dbraw/zinc/53/33/43/840533343.db2.gz	OWRCLRLDGZWIIV-SOAMZJECSA-N	1	0	360.502	1.884	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105598285	840767362	/nfs/dbraw/zinc/76/73/62/840767362.db2.gz	NOLJFEGZSRWDFN-XNFNUYLZSA-N	1	0	365.518	1.445	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1ccncc1	ZINC000842039931	840865804	/nfs/dbraw/zinc/86/58/04/840865804.db2.gz	TVKVBVDALNOSDF-QZTJIDSGSA-N	1	0	356.470	1.806	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3nccs3)[C@H]2C)CC1	ZINC000989460998	840940222	/nfs/dbraw/zinc/94/02/22/840940222.db2.gz	FHJFSCCNXPPWET-HIFRSBDPSA-N	1	0	360.483	1.208	20	30		FDEDRO
C=CCOc1ccc(C[NH2+][C@H]2CN(C(=O)OCC)C[C@H]2CO)cc1OC	ZINC000898359484	840966172	/nfs/dbraw/zinc/96/61/72/840966172.db2.gz	QDJKGOZNDPVTPJ-HOTGVXAUSA-N	1	0	364.442	1.799	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)n(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105601384	841032495	/nfs/dbraw/zinc/03/24/95/841032495.db2.gz	XMTHZXJPTBHJFL-SOAMZJECSA-N	1	0	358.486	1.332	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN(C)C(C)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105601114	841038623	/nfs/dbraw/zinc/03/86/23/841038623.db2.gz	RYHNJLJWOOCXNM-FPAYPSAMSA-N	1	0	351.491	1.007	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCC(=O)NCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105607492	841230103	/nfs/dbraw/zinc/23/01/03/841230103.db2.gz	SCVVNZLYVDHLMJ-XNFNUYLZSA-N	1	0	365.518	1.445	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105609942	841498082	/nfs/dbraw/zinc/49/80/82/841498082.db2.gz	DRZNJYJZJDDRFJ-FPAYPSAMSA-N	1	0	354.491	1.192	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccncc3F)[C@H]2C(C)C)C[C@H]1O	ZINC001105610058	841557725	/nfs/dbraw/zinc/55/77/25/841557725.db2.gz	GVPFRKSQMMODKV-FTEYMNFISA-N	1	0	359.445	1.824	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1	ZINC000991421825	861215598	/nfs/dbraw/zinc/21/55/98/861215598.db2.gz	REZVKBZLNAQVBX-NXHRZFHOSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCOCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=C)Cl)C2)[C@@H]1C(C)C	ZINC001105610254	841592994	/nfs/dbraw/zinc/59/29/94/841592994.db2.gz	JJKZRBBEPZAION-LMSBXDPUSA-N	1	0	356.894	1.908	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3n[nH]c(C)c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105610190	841594447	/nfs/dbraw/zinc/59/44/47/841594447.db2.gz	IQMCMZQABQSJFY-CIWUYKSXSA-N	1	0	358.486	1.630	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncoc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105611507	841890699	/nfs/dbraw/zinc/89/06/99/841890699.db2.gz	SBNVPURHGZXPAP-OHRYMORCSA-N	1	0	359.470	1.840	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(N)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105611913	841920390	/nfs/dbraw/zinc/92/03/90/841920390.db2.gz	WINPQFSAMZSORM-YAJHFMINSA-N	1	0	365.518	1.574	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCCCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105612359	842024426	/nfs/dbraw/zinc/02/44/26/842024426.db2.gz	ZRKHCSOJRWJINP-IZBJGVDFSA-N	1	0	350.503	1.793	20	30		FDEDRO
COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C#N)[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105618876	842233905	/nfs/dbraw/zinc/23/39/05/842233905.db2.gz	BNJCTGSHSQSNLM-VXIBKDFQSA-N	1	0	360.458	1.112	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3OCCCO3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619658	842238371	/nfs/dbraw/zinc/23/83/71/842238371.db2.gz	OYLSEYCCEOZRCJ-XNFNUYLZSA-N	1	0	364.486	1.129	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCC(=O)NC)[C@H]2C(C)C)C[C@H]1O	ZINC001105619573	842238496	/nfs/dbraw/zinc/23/84/96/842238496.db2.gz	NRLXIQIJJXYREI-LTDCPUDJSA-N	1	0	351.491	1.055	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cncnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105622773	842249195	/nfs/dbraw/zinc/24/91/95/842249195.db2.gz	HPGZJXVJFMWGQG-LFGUQSLTSA-N	1	0	356.470	1.009	20	30		FDEDRO
C#CCCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCOCC=C)C2)[C@H]1C(C)C	ZINC001105623168	842250798	/nfs/dbraw/zinc/25/07/98/842250798.db2.gz	NSGFYHHOZWGJQZ-UKAVVXHISA-N	1	0	362.514	1.959	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccncc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105626852	842258875	/nfs/dbraw/zinc/25/88/75/842258875.db2.gz	IPTRBYODFJODPZ-XCJLJZCSSA-N	1	0	355.482	1.993	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncc[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105628965	842262089	/nfs/dbraw/zinc/26/20/89/842262089.db2.gz	ZOMPIJZRRXKSTI-YKTARERQSA-N	1	0	362.474	1.192	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cnccc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637274	842271190	/nfs/dbraw/zinc/27/11/90/842271190.db2.gz	MMOFBJSLXOPIDS-CZAYHTPWSA-N	1	0	369.509	1.922	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CCCO)C3)[C@@H]2C(C)C)CCC1	ZINC001105637726	842273583	/nfs/dbraw/zinc/27/35/83/842273583.db2.gz	VBIXYUMXGDYYCE-DCXXXQMHSA-N	1	0	362.514	1.529	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CCCO)C3)[C@H]2C(C)C)CCC1	ZINC001105637727	842273906	/nfs/dbraw/zinc/27/39/06/842273906.db2.gz	VBIXYUMXGDYYCE-IKVWTGGYSA-N	1	0	362.514	1.529	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(COCC)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105641306	842276367	/nfs/dbraw/zinc/27/63/67/842276367.db2.gz	AIAMLFAXKSVZBE-PDOICOKGSA-N	1	0	350.503	1.955	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCOCC(F)F)[C@@H]2C(C)C)C[C@H]1O	ZINC001105632355	842279728	/nfs/dbraw/zinc/27/97/28/842279728.db2.gz	KQNRYZULTMREBT-DTDBQYNISA-N	1	0	360.445	1.810	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@H]1C(C)C	ZINC001105632664	842280860	/nfs/dbraw/zinc/28/08/60/842280860.db2.gz	MVCZRXGACUJYIJ-YZDADXEPSA-N	1	0	365.518	1.301	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3cncnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105642357	842305653	/nfs/dbraw/zinc/30/56/53/842305653.db2.gz	IZQBQKLCCJBZAA-RMVXJAJNSA-N	1	0	370.497	1.399	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(COC)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105643035	842326633	/nfs/dbraw/zinc/32/66/33/842326633.db2.gz	QMPHKYAAQGJYGW-PDOICOKGSA-N	1	0	350.503	1.955	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnco3)[C@H]2C(C)C)C[C@H]1O	ZINC001105643158	842328475	/nfs/dbraw/zinc/32/84/75/842328475.db2.gz	UKAQQFQKWYEGLM-RRIFGTCXSA-N	1	0	363.458	1.457	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnco3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105643155	842328513	/nfs/dbraw/zinc/32/85/13/842328513.db2.gz	UKAQQFQKWYEGLM-FXRXJOCMSA-N	1	0	363.458	1.457	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(COC)CCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105643275	842334650	/nfs/dbraw/zinc/33/46/50/842334650.db2.gz	WCXDBKAPXYIZNJ-DCXXXQMHSA-N	1	0	362.514	1.793	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105643468	842340154	/nfs/dbraw/zinc/34/01/54/842340154.db2.gz	YYECHLQLIUFULS-MLYOOKFZSA-N	1	0	356.470	1.388	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)COC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105646337	842405678	/nfs/dbraw/zinc/40/56/78/842405678.db2.gz	IUCLUFDJYKLZOU-WOCWXWTJSA-N	1	0	350.503	1.648	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@@H]1C(C)C	ZINC001105647408	842413676	/nfs/dbraw/zinc/41/36/76/842413676.db2.gz	QWKXIOAMIINEKX-YAJHFMINSA-N	1	0	363.502	1.022	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc(C)n3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105651737	842444893	/nfs/dbraw/zinc/44/48/93/842444893.db2.gz	IYDLJVGHDFBHDN-UIXUWTQFSA-N	1	0	360.502	1.884	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(C(N)=O)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105651365	842445801	/nfs/dbraw/zinc/44/58/01/842445801.db2.gz	GFOFUSRMGORBNV-YKTARERQSA-N	1	0	363.502	1.184	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1	ZINC000477202468	842458221	/nfs/dbraw/zinc/45/82/21/842458221.db2.gz	HLISCUTWHHBQRV-WWNBULGVSA-N	1	0	365.518	1.711	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cccnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105655899	842480483	/nfs/dbraw/zinc/48/04/83/842480483.db2.gz	LUZYSCPBLNRWQV-KRXUUXHPSA-N	1	0	369.509	1.922	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3cn[nH]c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105656370	842492526	/nfs/dbraw/zinc/49/25/26/842492526.db2.gz	PDOAINHDDYNUNA-JYBIWHBTSA-N	1	0	360.502	1.885	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cnc[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105657376	842494075	/nfs/dbraw/zinc/49/40/75/842494075.db2.gz	YNPMQTNDMUMVRI-LFGUQSLTSA-N	1	0	360.502	1.885	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(C(=O)NC)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105661134	842666400	/nfs/dbraw/zinc/66/64/00/842666400.db2.gz	FCBAGWISGYBFFF-NNFUDEMPSA-N	1	0	363.502	1.055	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)nc(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105661314	842686231	/nfs/dbraw/zinc/68/62/31/842686231.db2.gz	HFGLRUXLERNWKP-BNDYYXHWSA-N	1	0	370.497	1.696	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cnc3nccn3c2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088747312	842785207	/nfs/dbraw/zinc/78/52/07/842785207.db2.gz	VRIDHRPZXHGKKW-KDOFPFPSSA-N	1	0	360.421	1.994	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105663118	842809952	/nfs/dbraw/zinc/80/99/52/842809952.db2.gz	RLZVWNXZCWILJH-KLICCBINSA-N	1	0	361.490	1.361	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(=O)N(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105663863	842858564	/nfs/dbraw/zinc/85/85/64/842858564.db2.gz	VWJQDUFVSZCFKV-YAJHFMINSA-N	1	0	365.518	1.397	20	30		FDEDRO
N#CC1(NC(=O)CNC(=O)c2ccco2)CC[NH+](Cc2ccccc2)CC1	ZINC000461492065	843052393	/nfs/dbraw/zinc/05/23/93/843052393.db2.gz	PWALSZCHVSDIGJ-UHFFFAOYSA-N	1	0	366.421	1.684	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCn3cncn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105666137	843079170	/nfs/dbraw/zinc/07/91/70/843079170.db2.gz	CXKMUHFYNKYJSH-RWQQGDIJSA-N	1	0	361.490	1.210	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)cn2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088758360	843220528	/nfs/dbraw/zinc/22/05/28/843220528.db2.gz	PXDJYYZRUDQFQY-CJNGLKHVSA-N	1	0	351.410	1.045	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3cnccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105666743	843311714	/nfs/dbraw/zinc/31/17/14/843311714.db2.gz	JBBORQFXKJUCQV-QCFAMHMHSA-N	1	0	370.497	1.399	20	30		FDEDRO
COCC1(C#N)CCN(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000477821038	843383357	/nfs/dbraw/zinc/38/33/57/843383357.db2.gz	QNCXGAGOAOZVJK-IYBDPMFKSA-N	1	0	366.506	1.836	20	30		FDEDRO
C=C[C@](C)(O)C(=O)N1CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC1	ZINC000667300174	843587707	/nfs/dbraw/zinc/58/77/07/843587707.db2.gz	JUNOUHWBGDRRTB-IBGZPJMESA-N	1	0	353.507	1.397	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCCC(N)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667772	843691189	/nfs/dbraw/zinc/69/11/89/843691189.db2.gz	SWOOGMAHBGUDPP-SMOSDQRPSA-N	1	0	365.518	1.574	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3[nH]cnc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105668148	843757388	/nfs/dbraw/zinc/75/73/88/843757388.db2.gz	ICKBZCJWVUNRQE-CIWUYKSXSA-N	1	0	358.486	1.575	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3[nH]cnc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105668150	843757754	/nfs/dbraw/zinc/75/77/54/843757754.db2.gz	ICKBZCJWVUNRQE-QQTQMKHKSA-N	1	0	358.486	1.575	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1	ZINC000490573913	861531526	/nfs/dbraw/zinc/53/15/26/861531526.db2.gz	YMJXLOOCCDTQMK-MRXNPFEDSA-N	1	0	373.457	1.485	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCn3ccnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105673558	845402448	/nfs/dbraw/zinc/40/24/48/845402448.db2.gz	MYHJCBIHACEGFX-JYBIWHBTSA-N	1	0	358.486	1.263	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCCC(=O)NC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105675188	845643088	/nfs/dbraw/zinc/64/30/88/845643088.db2.gz	MMZFMPMCPUSNRB-XNFNUYLZSA-N	1	0	365.518	1.445	20	30		FDEDRO
COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2c(C)cc(C#N)cc2C)CC1=O	ZINC000899127465	845831389	/nfs/dbraw/zinc/83/13/89/845831389.db2.gz	MPEZKWPGLOJKFG-KRWDZBQOSA-N	1	0	372.469	1.084	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1C(=O)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1	ZINC000899155618	845874338	/nfs/dbraw/zinc/87/43/38/845874338.db2.gz	DWPSFEFXJTUMHL-QGZVFWFLSA-N	1	0	354.454	1.602	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1	ZINC000480927766	845948151	/nfs/dbraw/zinc/94/81/51/845948151.db2.gz	GMQLYBIXEHDWJH-ZKXLYKBJSA-N	1	0	365.518	1.566	20	30		FDEDRO
C#CCN(C(=S)NCCc1ccc2c(c1)OCCO2)C1CC[NH+](C)CC1	ZINC000899613485	846495295	/nfs/dbraw/zinc/49/52/95/846495295.db2.gz	CUDDUDUZPUHCHN-UHFFFAOYSA-N	1	0	373.522	1.904	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)C2	ZINC000923947173	846833886	/nfs/dbraw/zinc/83/38/86/846833886.db2.gz	SLOCLQYOGBEUCE-HKUYNNGSSA-N	1	0	354.454	1.578	20	30		FDEDRO
Cc1cc(NC[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C#N)cn1	ZINC001060100589	847359882	/nfs/dbraw/zinc/35/98/82/847359882.db2.gz	ADVFMFWJAFHLMM-JFIYKMOQSA-N	1	0	355.486	1.674	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4C)[C@@H]3C2)c1	ZINC001076135706	847365823	/nfs/dbraw/zinc/36/58/23/847365823.db2.gz	XLORTOIWJNFJTL-IWKCEXAMSA-N	1	0	351.450	1.795	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)C4CC5(CCC5)C4)[C@@H]3C2)C1=O	ZINC001076149824	847412125	/nfs/dbraw/zinc/41/21/25/847412125.db2.gz	CBLKJNNRKDSPBZ-CGTJXYLNSA-N	1	0	357.498	1.886	20	30		FDEDRO
N#Cc1cnc(NC[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)cn1	ZINC001060103367	847429308	/nfs/dbraw/zinc/42/93/08/847429308.db2.gz	VTRMKXUWWPPIIR-BPLDGKMQSA-N	1	0	351.414	1.526	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cccnc4C)C[C@H]32)nn1	ZINC001076336017	847882241	/nfs/dbraw/zinc/88/22/41/847882241.db2.gz	GZYIKEVFFJRIKK-FUHWJXTLSA-N	1	0	352.442	1.514	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](C#N)C2CCCCC2)CC1=O	ZINC000482477985	848062701	/nfs/dbraw/zinc/06/27/01/848062701.db2.gz	MRDGJRGAGWWECZ-RCCFBDPRSA-N	1	0	360.502	1.908	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(OC)cc4)[C@@H]3C2)C1=O	ZINC001076491102	848271051	/nfs/dbraw/zinc/27/10/51/848271051.db2.gz	QSPGYVQSNQFBNO-QXAKKESOSA-N	1	0	369.465	1.628	20	30		FDEDRO
C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(Cc4cc(F)ccc4C#N)C[C@H]32)C1	ZINC001076568881	848462299	/nfs/dbraw/zinc/46/22/99/848462299.db2.gz	BCYFMFGJVBKONO-FRQCXROJSA-N	1	0	356.445	1.682	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)CC1CC[NH+](C)CC1	ZINC001076726716	848857770	/nfs/dbraw/zinc/85/77/70/848857770.db2.gz	UENFMWYZWVHTMM-IEZWGBDMSA-N	1	0	365.518	1.711	20	30		FDEDRO
COc1ccc(C#N)cc1CN1C[C@@H](O)[C@H](NC(=O)c2ccccc2O)C1	ZINC001076749812	848954013	/nfs/dbraw/zinc/95/40/13/848954013.db2.gz	MVSUQBVYPIHKKK-SJLPKXTDSA-N	1	0	367.405	1.248	20	30		FDEDRO
C#CCC1(C(=O)NCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1	ZINC001076833884	849158308	/nfs/dbraw/zinc/15/83/08/849158308.db2.gz	WPYDWWJUJVBZQI-GVDBMIGSSA-N	1	0	363.502	1.158	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCC3(F)F)C[C@H]2O)[nH]1	ZINC001076898279	849281952	/nfs/dbraw/zinc/28/19/52/849281952.db2.gz	BKCSOJLYIVTOBM-KCPJHIHWSA-N	1	0	352.385	1.487	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CCC[NH+]1CCCC1	ZINC001076909301	849288193	/nfs/dbraw/zinc/28/81/93/849288193.db2.gz	MHNNKPIOTCSAGZ-KSZLIROESA-N	1	0	365.518	1.855	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)C[N@H+](C)C(C)C	ZINC001076925773	849353119	/nfs/dbraw/zinc/35/31/19/849353119.db2.gz	YOMKJQVHXROYKD-BQFCYCMXSA-N	1	0	353.507	1.709	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O	ZINC001076986209	849478003	/nfs/dbraw/zinc/47/80/03/849478003.db2.gz	PCYLMUCFDWWZBM-VAMGGRTRSA-N	1	0	355.482	1.072	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCc2ccccc2C)C[C@H]1O	ZINC001077159103	849955087	/nfs/dbraw/zinc/95/50/87/849955087.db2.gz	OMXAOCXTWJIYCS-QHAWAJNXSA-N	1	0	369.509	1.187	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)s1	ZINC001077312331	850515048	/nfs/dbraw/zinc/51/50/48/850515048.db2.gz	YSSPPKKSHZJZBG-IAGOWNOFSA-N	1	0	367.434	1.243	20	30		FDEDRO
CC[C@@H](C)n1ncc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1C	ZINC000484244139	850621198	/nfs/dbraw/zinc/62/11/98/850621198.db2.gz	LRPGHPPRBZHAIB-CQSZACIVSA-N	1	0	362.478	1.795	20	30		FDEDRO
COCC[C@H]1C[NH2+]CCN1C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1	ZINC000904535443	851281331	/nfs/dbraw/zinc/28/13/31/851281331.db2.gz	LAKFWCCHGXRKQH-SFHVURJKSA-N	1	0	368.441	1.645	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+]	ZINC000904962918	851557839	/nfs/dbraw/zinc/55/78/39/851557839.db2.gz	ZVGIALQKGLOCHI-KRWDZBQOSA-N	1	0	368.462	1.663	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1	ZINC000904965283	851559705	/nfs/dbraw/zinc/55/97/05/851559705.db2.gz	BZQBEYRPOYEPIF-GOSISDBHSA-N	1	0	360.483	1.570	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+]C[C@H](O)C[C@@H](O)c3ccccc3)CC2)nc1	ZINC000905089828	851639345	/nfs/dbraw/zinc/63/93/45/851639345.db2.gz	RVBYJQKMCTXUIF-WOJBJXKFSA-N	1	0	366.465	1.996	20	30		FDEDRO
C[C@@](O)(C[NH2+]CCNC(=O)C1N=CC=CC1=O)C(F)(F)C(F)(F)F	ZINC000905103734	851661769	/nfs/dbraw/zinc/66/17/69/851661769.db2.gz	LPGUAOAFRWYEAP-DWOQACPDSA-N	1	0	357.279	1.051	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H]([NH2+]C[C@@H](O)CC3(O)CCCC3)C2=O)cc1	ZINC000905230378	851738691	/nfs/dbraw/zinc/73/86/91/851738691.db2.gz	MHRBPCMHZUJFHS-ROUUACIJSA-N	1	0	357.454	1.305	20	30		FDEDRO
CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NCC#CC[NH+](C)C)cc1	ZINC000913515877	862297187	/nfs/dbraw/zinc/29/71/87/862297187.db2.gz	QZSCBMAHZGTPKS-UHFFFAOYSA-N	1	0	351.472	1.010	20	30		FDEDRO
C#C[C@H]1CC[C@H]([NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1	ZINC000905415161	851915312	/nfs/dbraw/zinc/91/53/12/851915312.db2.gz	FXGKPGUZQFCQDO-JYJNAYRXSA-N	1	0	356.532	1.770	20	30		FDEDRO
COc1cc(NC(=O)[C@H]2C[C@H]2C)c(C(=O)NCC#CC[NH+](C)C)cc1OC	ZINC000913516918	862298838	/nfs/dbraw/zinc/29/88/38/862298838.db2.gz	LRCOMVVJHQUMFP-KGLIPLIRSA-N	1	0	373.453	1.593	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CC2(CCOCC2)Oc2ccccc21	ZINC000905450629	851928956	/nfs/dbraw/zinc/92/89/56/851928956.db2.gz	HKAURAFCRGIQRP-WMZOPIPTSA-N	1	0	359.470	1.855	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CC2(CCOCC2)Oc2ccccc21	ZINC000905450618	851929066	/nfs/dbraw/zinc/92/90/66/851929066.db2.gz	HKAURAFCRGIQRP-AEFFLSMTSA-N	1	0	359.470	1.855	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)c(OC)c1	ZINC000905451743	851930030	/nfs/dbraw/zinc/93/00/30/851930030.db2.gz	ICJIEAUVVUKXMM-BZUAXINKSA-N	1	0	369.483	1.329	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1	ZINC000913517516	862301288	/nfs/dbraw/zinc/30/12/88/862301288.db2.gz	DVACWSBZZLQPDB-UHFFFAOYSA-N	1	0	367.902	1.935	20	30		FDEDRO
C[C@]1(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)OCCc2ccccc21	ZINC000905442187	851946012	/nfs/dbraw/zinc/94/60/12/851946012.db2.gz	YVTHNERMSCPTKB-LJQANCHMSA-N	1	0	371.462	1.805	20	30		FDEDRO
C=C(C)C[C@H](CO)[NH2+]C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1	ZINC000905454160	851957412	/nfs/dbraw/zinc/95/74/12/851957412.db2.gz	RRPRSOPUEAAJJC-IEBWSBKVSA-N	1	0	363.502	1.095	20	30		FDEDRO
CS(=O)(=O)C1CCC(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000905507309	851980615	/nfs/dbraw/zinc/98/06/15/851980615.db2.gz	CIEDSNYYCDXNRR-UPTPFMHGSA-N	1	0	366.483	1.491	20	30		FDEDRO
C[C@@H]1C[C@]2(CC[C@H](C[NH2+]C[C@@H](O)COc3ccc(CC#N)cc3)O2)CO1	ZINC000905487184	851988079	/nfs/dbraw/zinc/98/80/79/851988079.db2.gz	SETHLSDLCJIEFG-RARDXLECSA-N	1	0	360.454	1.809	20	30		FDEDRO
C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+]C[C@H](O)COc1ccccc1C#N)O2	ZINC000905487190	851988132	/nfs/dbraw/zinc/98/81/32/851988132.db2.gz	SFZDXZXBABHLLB-CTALVQFKSA-N	1	0	360.454	1.860	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@]1(c2ccccc2)C[C@@H](O)C1	ZINC000905535865	852000349	/nfs/dbraw/zinc/00/03/49/852000349.db2.gz	DYPFHUXPTBOCCW-SFHLNBCPSA-N	1	0	352.434	1.980	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@]2(c3ccccc3)C[C@@H](O)C2)cc1	ZINC000905540181	852003318	/nfs/dbraw/zinc/00/33/18/852003318.db2.gz	XLDOVGQDGMTBBQ-SFHLNBCPSA-N	1	0	352.434	1.980	20	30		FDEDRO
Cn1cc(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)c(Br)n1	ZINC000905516304	852008527	/nfs/dbraw/zinc/00/85/27/852008527.db2.gz	KQZCXSBSCSTUOO-GFCCVEGCSA-N	1	0	357.252	1.344	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)nc1	ZINC000905516805	852009577	/nfs/dbraw/zinc/00/95/77/852009577.db2.gz	NTDDSWCGCWPDHT-NWDGAFQWSA-N	1	0	363.361	1.426	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCc3nnn(C)c3C2)c(OC)c1	ZINC000905632400	852101311	/nfs/dbraw/zinc/10/13/11/852101311.db2.gz	HCLAPNUCSBRERC-HOTGVXAUSA-N	1	0	372.469	1.439	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCN2C2CCOCC2)cc1	ZINC000905617489	852115430	/nfs/dbraw/zinc/11/54/30/852115430.db2.gz	DWIQMKKOEVWUCN-MOPGFXCFSA-N	1	0	359.470	1.335	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCOC2CCSCC2)nc1	ZINC000905706862	852194661	/nfs/dbraw/zinc/19/46/61/852194661.db2.gz	WFKUQRYOEBZAIE-UHFFFAOYSA-N	1	0	355.485	1.229	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C2CN(C)CC[N@H+](C)C2)cc1	ZINC000906392129	852838942	/nfs/dbraw/zinc/83/89/42/852838942.db2.gz	UXWBAQOTWGVGGN-UHFFFAOYSA-N	1	0	370.497	1.933	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C	ZINC000906503862	852972206	/nfs/dbraw/zinc/97/22/06/852972206.db2.gz	BJDNEZRXZKGBCK-LJQANCHMSA-N	1	0	370.497	1.777	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cccn(CC(F)(F)F)c2=O)CC1	ZINC000906773947	853300533	/nfs/dbraw/zinc/30/05/33/853300533.db2.gz	QPZPPZLBKRPCHU-UHFFFAOYSA-N	1	0	355.360	1.628	20	30		FDEDRO
C[C@H]1C[C@H](C)C[NH+](CCCCNS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000906845078	853395113	/nfs/dbraw/zinc/39/51/13/853395113.db2.gz	ODSRYCHVFSHFNC-GJZGRUSLSA-N	1	0	350.488	1.990	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)C1	ZINC000668584564	853645521	/nfs/dbraw/zinc/64/55/21/853645521.db2.gz	ZJHREZBQDVAYFW-QZTJIDSGSA-N	1	0	364.534	1.191	20	30		FDEDRO
C#Cc1ccc(S(=O)(=O)NCc2ccncc2OCCC[NH+](C)C)cc1	ZINC000907194360	853937506	/nfs/dbraw/zinc/93/75/06/853937506.db2.gz	OCRXDKQEQDVTJD-UHFFFAOYSA-N	1	0	373.478	1.872	20	30		FDEDRO
COCc1csc(C(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@@H]2O)c1	ZINC001083608843	854237709	/nfs/dbraw/zinc/23/77/09/854237709.db2.gz	QJYZGMWXYWVOEV-SJORKVTESA-N	1	0	371.462	1.741	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1cccc(C#N)c1)CC2	ZINC000991116859	855134463	/nfs/dbraw/zinc/13/44/63/855134463.db2.gz	JHGHAEHRMIXGIY-QTWZMDIBSA-N	1	0	369.465	1.975	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@@]3(C#N)CC4CCC3CC4)CC2)C1=O	ZINC000908185413	855154040	/nfs/dbraw/zinc/15/40/40/855154040.db2.gz	OTCCFZHCXNUOTK-RLFPARDHSA-N	1	0	358.486	1.518	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000669255811	862693262	/nfs/dbraw/zinc/69/32/62/862693262.db2.gz	NKKJZOIIYGLFRH-HOTGVXAUSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCn1c(C(C)C)nnc1N1CCC(C(N)=O)([NH+]2CCCCC2)CC1	ZINC000908640243	855637378	/nfs/dbraw/zinc/63/73/78/855637378.db2.gz	JRQXUHNFMGXZKM-UHFFFAOYSA-N	1	0	360.506	1.898	20	30		FDEDRO
C=CCn1c(C2CCOCC2)nnc1N1CC[NH+](C(C)(C)COC)CC1	ZINC000908677648	855695128	/nfs/dbraw/zinc/69/51/28/855695128.db2.gz	BKJZMYULVXOCEC-UHFFFAOYSA-N	1	0	363.506	1.905	20	30		FDEDRO
C=CCn1c(-c2cnsn2)nnc1N1CC[NH+](C(C)(C)COC)CC1	ZINC000908719589	855699382	/nfs/dbraw/zinc/69/93/82/855699382.db2.gz	CYBIWKUWLXOPQT-UHFFFAOYSA-N	1	0	363.491	1.530	20	30		FDEDRO
C=CCn1c(-c2cccnn2)nnc1N1CC[NH+](C(C)(C)COC)CC1	ZINC000908710135	855712378	/nfs/dbraw/zinc/71/23/78/855712378.db2.gz	KTPCVHSXLBKJHV-UHFFFAOYSA-N	1	0	357.462	1.468	20	30		FDEDRO
C=CCn1c(-c2cccnn2)nnc1N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000908710798	855713239	/nfs/dbraw/zinc/71/32/39/855713239.db2.gz	VAQKBTOJUAAQAZ-HNNXBMFYSA-N	1	0	357.462	1.468	20	30		FDEDRO
C#CCCCc1nnc(N2CCN(c3cc[nH+]cc3)[C@H](C)C2)n1CCOC	ZINC000909206620	856304887	/nfs/dbraw/zinc/30/48/87/856304887.db2.gz	FFZXHBVNWGFFCK-QGZVFWFLSA-N	1	0	368.485	1.991	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)OCc2cc(C#N)ccn2)CC1=O	ZINC000909243527	856318401	/nfs/dbraw/zinc/31/84/01/856318401.db2.gz	GEKALTMDAJPBSS-RDJZCZTQSA-N	1	0	356.426	1.329	20	30		FDEDRO
N#Cc1ccccc1C(F)(F)C(=O)NCC(=O)NCC[NH+]1CCCCC1	ZINC000909313596	856429859	/nfs/dbraw/zinc/42/98/59/856429859.db2.gz	SXLUGPGFMQLBII-UHFFFAOYSA-N	1	0	364.396	1.368	20	30		FDEDRO
C#CCN1CCN(c2nnc(-c3cnsn3)n2Cc2cccs2)CC1	ZINC000909909467	856676425	/nfs/dbraw/zinc/67/64/25/856676425.db2.gz	OENUYJBNNLOHJQ-UHFFFAOYSA-N	1	0	371.495	1.662	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@H]1C	ZINC000668820436	857082814	/nfs/dbraw/zinc/08/28/14/857082814.db2.gz	VFVMVLGUOBLBOJ-NJAFHUGGSA-N	1	0	353.507	1.711	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CC[C@@H](c2ccc(C)cc2)C1)C1CC[NH+](C)CC1	ZINC000910882651	857831943	/nfs/dbraw/zinc/83/19/43/857831943.db2.gz	GUDRCCWGRURELV-LJQANCHMSA-N	1	0	367.493	1.867	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]CC2)CC1	ZINC000911072408	858114102	/nfs/dbraw/zinc/11/41/02/858114102.db2.gz	KTZIDIBSQCFDLI-OAHLLOKOSA-N	1	0	353.532	1.650	20	30		FDEDRO
C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1	ZINC000669333564	862996097	/nfs/dbraw/zinc/99/60/97/862996097.db2.gz	QUVGBJLFNRJIQK-OAHLLOKOSA-N	1	0	356.478	1.714	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccnc2)C[C@H]1C	ZINC001105764278	862998173	/nfs/dbraw/zinc/99/81/73/862998173.db2.gz	CEKWPKQSIDPCHX-SJLPKXTDSA-N	1	0	358.486	1.804	20	30		FDEDRO
N#Cc1ccccc1/C=C/C(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1	ZINC000028512234	858468639	/nfs/dbraw/zinc/46/86/39/858468639.db2.gz	OOKUDEQONAZJEG-VMPITWQZSA-N	1	0	353.422	1.858	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1	ZINC000911360880	858520821	/nfs/dbraw/zinc/52/08/21/858520821.db2.gz	MFSCGPMYFQQZLO-OAHLLOKOSA-N	1	0	351.491	1.370	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NCCCCCC1CC[NH2+]CC1	ZINC000911413265	858602600	/nfs/dbraw/zinc/60/26/00/858602600.db2.gz	MFLPBVHFPLWBHX-UHFFFAOYSA-N	1	0	360.296	1.687	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21	ZINC000911576827	858801702	/nfs/dbraw/zinc/80/17/02/858801702.db2.gz	BAEZADZVQZSWRO-OXQOHEQNSA-N	1	0	373.453	1.020	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CC[NH2+][C@H]([C@@H]4CCCO4)C3)CC2)c1	ZINC000911635158	858871145	/nfs/dbraw/zinc/87/11/45/858871145.db2.gz	IWPXLRKJZMGNCU-SQNIBIBYSA-N	1	0	369.469	1.149	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@@H](C)N1CC#N	ZINC000911707773	858938513	/nfs/dbraw/zinc/93/85/13/858938513.db2.gz	MFFAIOTWDMSOJI-MBOZVWFJSA-N	1	0	356.470	1.068	20	30		FDEDRO
CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1	ZINC000912254370	859549501	/nfs/dbraw/zinc/54/95/01/859549501.db2.gz	BFTNMPCAJJMRST-IBGZPJMESA-N	1	0	370.497	1.954	20	30		FDEDRO
CC(C)(C)[NH+]=C(NCCCn1cccn1)NCCCN1CCOCC1	ZINC000912498830	859826738	/nfs/dbraw/zinc/82/67/38/859826738.db2.gz	JOBSZORQGSMXKE-UHFFFAOYSA-N	1	0	350.511	1.329	20	30		FDEDRO
C#CCOc1ccc(NC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc1	ZINC000129441687	859923277	/nfs/dbraw/zinc/92/32/77/859923277.db2.gz	RLWOCRXHQKJXAE-SFHVURJKSA-N	1	0	374.485	1.913	20	30		FDEDRO
CN(CC[N@H+](C)CCO)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	ZINC000912606666	859949311	/nfs/dbraw/zinc/94/93/11/859949311.db2.gz	JMCCQZFSMSJYOR-UHFFFAOYSA-N	1	0	354.410	1.742	20	30		FDEDRO
CC(C)Oc1ccc([C@@H](CNC(=O)Cn2cnc(C#N)n2)[NH+](C)C)cc1	ZINC000489963604	860210188	/nfs/dbraw/zinc/21/01/88/860210188.db2.gz	KCETVOCQGOMPHH-MRXNPFEDSA-N	1	0	356.430	1.356	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@@H](CO)[C@H]1C	ZINC000669032706	860837313	/nfs/dbraw/zinc/83/73/13/860837313.db2.gz	SSSVBRMLVYQNKY-TWMKSMIVSA-N	1	0	361.490	1.597	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCCN(C(C)=O)CC1	ZINC000669032974	860844744	/nfs/dbraw/zinc/84/47/44/860844744.db2.gz	CIEBEQAJQYGZRZ-SJORKVTESA-N	1	0	374.489	1.058	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC(CC(N)=O)CC1	ZINC000669034949	860848861	/nfs/dbraw/zinc/84/88/61/860848861.db2.gz	FFCUHMOUHGAUKR-CVEARBPZSA-N	1	0	374.489	1.092	20	30		FDEDRO
C[NH+](C)CCn1ccc(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)n1	ZINC000912926387	861080956	/nfs/dbraw/zinc/08/09/56/861080956.db2.gz	IWGFPUONYDEREO-UHFFFAOYSA-N	1	0	352.442	1.731	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)/C=C\c3ccco3)C[C@H]2C)CC1	ZINC000947214031	863138348	/nfs/dbraw/zinc/13/83/48/863138348.db2.gz	PNYHFOREXXVYMG-QXJVMSCWSA-N	1	0	369.465	1.601	20	30		FDEDRO
CC(=O)N[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)[C@H](C)C1	ZINC001105793608	863219335	/nfs/dbraw/zinc/21/93/35/863219335.db2.gz	LKGHXTVGUXVVQM-PBFPGSCMSA-N	1	0	360.433	1.406	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(Cl)o2)C[C@H]1C	ZINC001105825227	863389783	/nfs/dbraw/zinc/38/97/83/863389783.db2.gz	XVJMAUYAUJGEPQ-JHJVBQTASA-N	1	0	351.834	1.369	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]Cc1nc(C2CC2)nn1C	ZINC001105846104	863474355	/nfs/dbraw/zinc/47/43/55/863474355.db2.gz	IPSDBIBPGVDTHC-TZMCWYRMSA-N	1	0	362.503	1.133	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]Cc1nn(C)cc1Cl	ZINC001105846097	863474432	/nfs/dbraw/zinc/47/44/32/863474432.db2.gz	IIQKGLSAHJHIKD-VXGBXAGGSA-N	1	0	355.895	1.514	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]Cc1nnc(C2CC2)s1	ZINC001105846156	863474607	/nfs/dbraw/zinc/47/46/07/863474607.db2.gz	KFCHSBDNFRKPEH-DGCLKSJQSA-N	1	0	365.528	1.856	20	30		FDEDRO
CCC(C)(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C	ZINC001105846459	863477929	/nfs/dbraw/zinc/47/79/29/863477929.db2.gz	WHXXWRFOCCWXMZ-ZIAGYGMSSA-N	1	0	354.520	1.232	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CCOC(C)C)C[C@H]1C	ZINC001105849813	863484631	/nfs/dbraw/zinc/48/46/31/863484631.db2.gz	CQZWKOTVCCNUPJ-QZTJIDSGSA-N	1	0	367.534	1.910	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001004816859	881679794	/nfs/dbraw/zinc/67/97/94/881679794.db2.gz	NHWWRDCUUNNDAT-WTGUMLROSA-N	1	0	365.477	1.410	20	30		FDEDRO
CCCC(=O)NCC(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1	ZINC001105891182	863710019	/nfs/dbraw/zinc/71/00/19/863710019.db2.gz	VWXAERVUOMYRBH-CRAIPNDOSA-N	1	0	356.470	1.659	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCNC(=O)C2CC2)C[C@H]1C(F)(F)F	ZINC001112110619	863741066	/nfs/dbraw/zinc/74/10/66/863741066.db2.gz	YFTOWJKCCNCXSY-ZIAGYGMSSA-N	1	0	361.408	1.848	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CNc2cnc(C#N)cn2)CC[N@@H+]1C	ZINC001060316589	863782519	/nfs/dbraw/zinc/78/25/19/863782519.db2.gz	ZRBUJDCYLZHQOR-IXDOHACOSA-N	1	0	356.474	1.872	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C1	ZINC001105910402	863915074	/nfs/dbraw/zinc/91/50/74/863915074.db2.gz	SEZRFPOILCUDIG-OWCLPIDISA-N	1	0	360.520	1.086	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCCC2)[C@H](C)C1	ZINC001105915201	863974097	/nfs/dbraw/zinc/97/40/97/863974097.db2.gz	WTJAAMABOAMFEG-BRWVUGGUSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CCCCOC)C[C@H]2C)C1=O	ZINC001105915392	863976899	/nfs/dbraw/zinc/97/68/99/863976899.db2.gz	DNRHZTFRXYUFND-ZACQAIPSSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)OC)C[C@H]1C	ZINC001105915517	863978099	/nfs/dbraw/zinc/97/80/99/863978099.db2.gz	KGLPEXCQCWDERJ-IXDOHACOSA-N	1	0	351.491	1.296	20	30		FDEDRO
C=CCN1CC[C@@H](N2CC[C@H](NC(=O)c3ccc(Cl)[nH]3)[C@H]2C)C1=O	ZINC001088841469	863984281	/nfs/dbraw/zinc/98/42/81/863984281.db2.gz	HJNJLALHIJEKTN-MBNYWOFBSA-N	1	0	350.850	1.648	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)CCC)C[C@H]1C	ZINC001105918319	863995891	/nfs/dbraw/zinc/99/58/91/863995891.db2.gz	CXPCVTGTABJKIA-BZUAXINKSA-N	1	0	366.506	1.509	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+][C@H]2CCN(c3ccn(C)n3)C2=O)[C@H](C)C1	ZINC001105922977	864027820	/nfs/dbraw/zinc/02/78/20/864027820.db2.gz	HFCYUYRZFDRFDF-OAGGEKHMSA-N	1	0	359.474	1.176	20	30		FDEDRO
N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C[N@@H+]2CC[C@@H]3C[C@@H]32)CC1	ZINC000761095908	864083149	/nfs/dbraw/zinc/08/31/49/864083149.db2.gz	PPMDMUSENCHPCJ-HIFRSBDPSA-N	1	0	367.409	1.549	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC2CCCC2)[C@H](C)C1	ZINC001105937587	864130287	/nfs/dbraw/zinc/13/02/87/864130287.db2.gz	AFTRHHQWJMVJGB-OWCLPIDISA-N	1	0	351.491	1.320	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]CCN2C(=O)c3ccccc3C2=O)[C@H](C)C1	ZINC001105945888	864186921	/nfs/dbraw/zinc/18/69/21/864186921.db2.gz	HLTMJDIOGKJWQM-RRFJBIMHSA-N	1	0	368.437	1.126	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC2CCOCC2)C[C@H]1C	ZINC001105966068	864259075	/nfs/dbraw/zinc/25/90/75/864259075.db2.gz	IMRMFMPCGOAQHX-HLLBOEOZSA-N	1	0	351.491	1.178	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCNC(=O)CC2)[C@H](C)C1	ZINC001105982030	864326922	/nfs/dbraw/zinc/32/69/22/864326922.db2.gz	KCYAMWQBINEWTM-KZNAEPCWSA-N	1	0	365.518	1.570	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]CCN2CCCC2=O)[C@H](C)C1	ZINC001105981837	864327365	/nfs/dbraw/zinc/32/73/65/864327365.db2.gz	GOFYEQXJVLPVNX-IAGOWNOFSA-N	1	0	351.491	1.276	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC2CC2)[C@H](C)C1	ZINC001105984346	864340280	/nfs/dbraw/zinc/34/02/80/864340280.db2.gz	GKBSYZWYAILJMA-BZUAXINKSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@H](C)CC)[C@H](C)C1	ZINC001105987426	864364149	/nfs/dbraw/zinc/36/41/49/864364149.db2.gz	HAMCLNJCWLTYMK-BRWVUGGUSA-N	1	0	353.507	1.568	20	30		FDEDRO
CC(C)N(C)C(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC001105989078	864381319	/nfs/dbraw/zinc/38/13/19/864381319.db2.gz	NXJSOIGDRFTWFQ-IJEWVQPXSA-N	1	0	359.474	1.439	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC001105989377	864383752	/nfs/dbraw/zinc/38/37/52/864383752.db2.gz	ZYUUBHYKMMBSIH-NVXWUHKLSA-N	1	0	369.469	1.385	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106008452	864604674	/nfs/dbraw/zinc/60/46/74/864604674.db2.gz	PNQNQRMKARGKQR-NVXWUHKLSA-N	1	0	354.429	1.909	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2COC(=O)C2)C[C@H]1C	ZINC001106008995	864609810	/nfs/dbraw/zinc/60/98/10/864609810.db2.gz	HOJFZDMQSPXYIU-KGYLQXTDSA-N	1	0	359.264	1.532	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]CC(=O)N(C)CC1CC1	ZINC001106014002	864649539	/nfs/dbraw/zinc/64/95/39/864649539.db2.gz	GADMUFDQYBFJJW-UKRRQHHQSA-N	1	0	357.458	1.052	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CO[C@@H](C)CC)C[C@H]1C	ZINC001106020069	864709953	/nfs/dbraw/zinc/70/99/53/864709953.db2.gz	XZMYUSDKNRJNRB-FGTMMUONSA-N	1	0	365.518	1.686	20	30		FDEDRO
CC(C)COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC001106020469	864719209	/nfs/dbraw/zinc/71/92/09/864719209.db2.gz	FZYGGTRWCLUCLB-BFYDXBDKSA-N	1	0	362.474	1.218	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2COCCN2C)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106022088	864739249	/nfs/dbraw/zinc/73/92/49/864739249.db2.gz	DOWGUKKUXWBBBO-MISYRCLQSA-N	1	0	355.482	1.053	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](Cc2ccccc2)OC)C[C@H]1OC	ZINC001212187049	864869113	/nfs/dbraw/zinc/86/91/13/864869113.db2.gz	IWGKYUYTNMDUNS-VAMGGRTRSA-N	1	0	358.482	1.863	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(N(C)C)c2)[C@H](C)C1	ZINC001106029159	864875607	/nfs/dbraw/zinc/87/56/07/864875607.db2.gz	IVQQYFATWADNDR-SJLPKXTDSA-N	1	0	370.497	1.076	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC2OCCCO2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106045685	864980493	/nfs/dbraw/zinc/98/04/93/864980493.db2.gz	MJEGISVBIWPJAY-IEBWSBKVSA-N	1	0	356.466	1.875	20	30		FDEDRO
[NH2+]=C(NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)Nc1ccccn1	ZINC000170910760	865016216	/nfs/dbraw/zinc/01/62/16/865016216.db2.gz	RVQDCWCDSRGBHC-MRXNPFEDSA-N	1	0	353.426	1.917	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc3c(c2)nnn3C)[C@H](C)C1	ZINC001106059647	865074303	/nfs/dbraw/zinc/07/43/03/865074303.db2.gz	ZKMDMKWWMVWFGZ-KKVAFCGZSA-N	1	0	371.485	1.480	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2cc3n(n2)CCCC3)[C@H](C)C1	ZINC001106064838	865103063	/nfs/dbraw/zinc/10/30/63/865103063.db2.gz	KCGZUSCJOYBCOI-JXXFODFXSA-N	1	0	360.502	1.731	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]Cc2nc3c(cnn3C)c(=O)[nH]2)[C@H](C)C1	ZINC001106064567	865109137	/nfs/dbraw/zinc/10/91/37/865109137.db2.gz	CZWJJOWLRPCMCB-ZIAGYGMSSA-N	1	0	370.457	1.057	20	30		FDEDRO
COc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)n1	ZINC001088900627	865320154	/nfs/dbraw/zinc/32/01/54/865320154.db2.gz	VLBAOERXTFPVEA-CJNGLKHVSA-N	1	0	351.410	1.750	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cnc3cccnn32)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088905615	865363297	/nfs/dbraw/zinc/36/32/97/865363297.db2.gz	FDLFEZHZWHWAEU-PBHICJAKSA-N	1	0	360.421	1.994	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(N(C)C)c3)[C@@H]2C)nn1	ZINC001088907452	865374292	/nfs/dbraw/zinc/37/42/92/865374292.db2.gz	UOZXWDHFHCNYQA-QAPCUYQASA-N	1	0	368.485	1.923	20	30		FDEDRO
C[NH+](C)C1CCN(C(=O)Cc2noc(Cc3c(F)cccc3C#N)n2)CC1	ZINC000350277732	865576179	/nfs/dbraw/zinc/57/61/79/865576179.db2.gz	QKSCSELCRCPIOP-UHFFFAOYSA-N	1	0	371.416	1.766	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCn3nc(C)nc3C)[C@@H]2C)nc1	ZINC001088990905	865950762	/nfs/dbraw/zinc/95/07/62/865950762.db2.gz	WGKPCKTVBVEIFY-DYVFJYSZSA-N	1	0	352.442	1.164	20	30		FDEDRO
CC[NH+](CC)[C@@H]1CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1	ZINC000173466286	865973717	/nfs/dbraw/zinc/97/37/17/865973717.db2.gz	QQNOLCWJTKVFGL-YLJYHZDGSA-N	1	0	369.469	1.699	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C2CCN(C(N)=O)CC2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001089029529	866144040	/nfs/dbraw/zinc/14/40/40/866144040.db2.gz	FASJGQLNZYMIEH-KDOFPFPSSA-N	1	0	369.469	1.428	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3ccc(C)nc3)[C@H]2C)C1=O	ZINC001089041666	866245406	/nfs/dbraw/zinc/24/54/06/866245406.db2.gz	IYEXHYFDZOVXGC-NJAFHUGGSA-N	1	0	356.470	1.298	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3nncn3C2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001089057833	866410289	/nfs/dbraw/zinc/41/02/89/866410289.db2.gz	PUNLQACIWXZFOA-OLMNPRSZSA-N	1	0	364.453	1.491	20	30		FDEDRO
C#CCN(CC#C)CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1	ZINC000174530112	866563063	/nfs/dbraw/zinc/56/30/63/866563063.db2.gz	JZODKFJYMNRQOZ-OAQYLSRUSA-N	1	0	367.493	1.907	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCN(C(=O)C(C)C)CC2)C1	ZINC001077486888	867070685	/nfs/dbraw/zinc/07/06/85/867070685.db2.gz	VQPBYCCHTHVSMI-IAGOWNOFSA-N	1	0	351.491	1.009	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1	ZINC000992027885	867244340	/nfs/dbraw/zinc/24/43/40/867244340.db2.gz	JHLVTLJCSZSJBL-LNLFQRSKSA-N	1	0	363.502	1.558	20	30		FDEDRO
C=CCCOCCNC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000535254130	867550722	/nfs/dbraw/zinc/55/07/22/867550722.db2.gz	BEMXTHDNWLLLNK-LJQANCHMSA-N	1	0	360.502	1.867	20	30		FDEDRO
C=CCn1c(-c2cccnc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000669806879	867575177	/nfs/dbraw/zinc/57/51/77/867575177.db2.gz	MOJQPEYXAMEJLT-QGZVFWFLSA-N	1	0	354.458	1.827	20	30		FDEDRO
C=CCC[C@@H](CO)NC(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000457661753	867607451	/nfs/dbraw/zinc/60/74/51/867607451.db2.gz	HAQBFFXFZLDPRG-FQEVSTJZSA-N	1	0	374.529	1.950	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2sccc2F)C[C@H]1C	ZINC001106085324	867692426	/nfs/dbraw/zinc/69/24/26/867692426.db2.gz	DPQAXUBEWVKOMR-JHJVBQTASA-N	1	0	351.447	1.323	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1	ZINC000992077207	867715003	/nfs/dbraw/zinc/71/50/03/867715003.db2.gz	DFVJQLFMQSWKGY-JQHSSLGASA-N	1	0	363.502	1.417	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(N3CCNC3=O)cc2)c1C#N	ZINC000535512264	867724404	/nfs/dbraw/zinc/72/44/04/867724404.db2.gz	ZFNHFTJHPGZIOI-UHFFFAOYSA-N	1	0	367.413	1.215	20	30		FDEDRO
NC(C[NH+]1CCCCCC1)=NOCC(=O)NC[C@@H]1Cc2ccccc2O1	ZINC000151528559	867915474	/nfs/dbraw/zinc/91/54/74/867915474.db2.gz	NKGXHRAESOBTGT-INIZCTEOSA-N	1	0	360.458	1.271	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(Cc3sc(C)nc3C)C[C@H]2O)cc1	ZINC001077493676	867960183	/nfs/dbraw/zinc/96/01/83/867960183.db2.gz	FZXQRLAOFUSOBB-IAGOWNOFSA-N	1	0	355.463	1.716	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C[C@H](O)c3ccc(F)cc3)C[C@H]2O)cc1	ZINC001077495115	867986419	/nfs/dbraw/zinc/98/64/19/867986419.db2.gz	RRGGIZJSNJMZAN-HSALFYBXSA-N	1	0	368.408	1.316	20	30		FDEDRO
COc1cc(CNC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)ccc1C#N	ZINC000462470303	867999432	/nfs/dbraw/zinc/99/94/32/867999432.db2.gz	DIMVGASRICTNAM-KRWDZBQOSA-N	1	0	360.458	1.819	20	30		FDEDRO
COCc1cccc(CNC(=O)CON=C(N)C[N@@H+]2CCCC[C@@H]2C)c1	ZINC000151534941	868006128	/nfs/dbraw/zinc/00/61/28/868006128.db2.gz	NZHZUGVVCXEGOI-HNNXBMFYSA-N	1	0	362.474	1.612	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]C[C@H](O)COCC(F)(F)F	ZINC001106101383	868097511	/nfs/dbraw/zinc/09/75/11/868097511.db2.gz	VRRIGWIUJIIXGL-YUELXQCFSA-N	1	0	362.392	1.024	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]C[C@H](O)COCC(F)(F)F)[C@H](C)C1	ZINC001106102012	868103710	/nfs/dbraw/zinc/10/37/10/868103710.db2.gz	MPUDLBWSZOQLEE-KFWWJZLASA-N	1	0	364.408	1.270	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]C[C@H](O)COCc2ccco2)[C@H](C)C1	ZINC001106104581	868133066	/nfs/dbraw/zinc/13/30/66/868133066.db2.gz	AVHKXTIWYMAURN-KURKYZTESA-N	1	0	362.470	1.501	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@H](C)c2ccco2)[C@H](C)C1	ZINC001106105446	868139970	/nfs/dbraw/zinc/13/99/70/868139970.db2.gz	UTXODWRSQSVSBN-BRWVUGGUSA-N	1	0	359.470	1.800	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C)C(=O)N1CCC(C)CC1	ZINC001106105958	868163427	/nfs/dbraw/zinc/16/34/27/868163427.db2.gz	AVMUETABYNHMDI-ZHALLVOQSA-N	1	0	359.514	1.731	20	30		FDEDRO
COc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)c1	ZINC001106105965	868164019	/nfs/dbraw/zinc/16/40/19/868164019.db2.gz	BDFOFWXGTACZJI-NVXWUHKLSA-N	1	0	369.465	1.731	20	30		FDEDRO
CCOCCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C	ZINC001106106293	868185578	/nfs/dbraw/zinc/18/55/78/868185578.db2.gz	QPGGPJAVUIWUAW-SOLBZPMBSA-N	1	0	363.502	1.015	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1ccn(C)c(=O)c1)CC2	ZINC000992183760	868208892	/nfs/dbraw/zinc/20/88/92/868208892.db2.gz	UQJUSASYMFSGSQ-WKRCXCSHSA-N	1	0	371.481	1.590	20	30		FDEDRO
CC(C)COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C	ZINC001106107909	868261490	/nfs/dbraw/zinc/26/14/90/868261490.db2.gz	MQZSIQKANIZTMD-KURKYZTESA-N	1	0	352.519	1.754	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C)c1nnnn1C1CC1	ZINC001106109505	868299689	/nfs/dbraw/zinc/29/96/89/868299689.db2.gz	JUSZBDBHGYEPOZ-RBSFLKMASA-N	1	0	358.490	1.803	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)[C@H](C)C1	ZINC001106110687	868380710	/nfs/dbraw/zinc/38/07/10/868380710.db2.gz	CIRMCOBHFDDOLD-IIDMSEBBSA-N	1	0	357.429	1.920	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cc(OC)ns2)[C@H](C)C1	ZINC001106110902	868383803	/nfs/dbraw/zinc/38/38/03/868383803.db2.gz	DWYBHVLADAKABT-MGPQQGTHSA-N	1	0	351.472	1.374	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)(C)CC)[C@H](C)C1	ZINC001106111686	868397580	/nfs/dbraw/zinc/39/75/80/868397580.db2.gz	OXUOPMFGEOWYOO-OWCLPIDISA-N	1	0	351.491	1.014	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CCOc2ccccc2F)[C@H](C)C1	ZINC001106116523	868577946	/nfs/dbraw/zinc/57/79/46/868577946.db2.gz	FMARDTQXVWKEOW-IXDOHACOSA-N	1	0	362.445	1.927	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC2CCCC2)[C@H](C)C1	ZINC001106117318	868593950	/nfs/dbraw/zinc/59/39/50/868593950.db2.gz	LLVJMHHYFPOTNP-BRWVUGGUSA-N	1	0	363.502	1.158	20	30		FDEDRO
CCCCCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106120642	868733164	/nfs/dbraw/zinc/73/31/64/868733164.db2.gz	ABDGSAYLAXYLGX-IXDOHACOSA-N	1	0	366.506	1.296	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000992314795	868961223	/nfs/dbraw/zinc/96/12/23/868961223.db2.gz	SFYLEJCSYPJWRD-RDTXWAMCSA-N	1	0	357.454	1.532	20	30		FDEDRO
C=CC[N@@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)CC1CCCCC1	ZINC000303435439	869237566	/nfs/dbraw/zinc/23/75/66/869237566.db2.gz	GCJUGBKYBASQRO-UHFFFAOYSA-N	1	0	373.501	1.892	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)CC[N@@H+](C)CC)C1	ZINC001060420397	869501375	/nfs/dbraw/zinc/50/13/75/869501375.db2.gz	PXIAFOLECWUNLW-ZACQAIPSSA-N	1	0	351.491	1.274	20	30		FDEDRO
C#CCN(C(=O)NCC(=O)Nc1ccc(F)c(F)c1)C1CC[NH+](C)CC1	ZINC000913868702	869854863	/nfs/dbraw/zinc/85/48/63/869854863.db2.gz	QPXJSGGFBIPOSQ-UHFFFAOYSA-N	1	0	364.396	1.642	20	30		FDEDRO
C[C@@H]1CN(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C[C@H](C)N1CC#N	ZINC000913889494	869913100	/nfs/dbraw/zinc/91/31/00/869913100.db2.gz	ZEZNSCXSRJYODU-ZIFCJYIRSA-N	1	0	357.502	1.787	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]2CC1	ZINC000946818252	882353169	/nfs/dbraw/zinc/35/31/69/882353169.db2.gz	GNYUWJBXAOEULW-RZFLPCETSA-N	1	0	361.486	1.027	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNS(=O)(=O)CC(C)(C)C#N)cn2)CC1	ZINC000913930938	870045294	/nfs/dbraw/zinc/04/52/94/870045294.db2.gz	ZMTSTKDXUQPXOF-UHFFFAOYSA-N	1	0	365.503	1.193	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)CSC)C[C@]3(C)C2)CC1	ZINC000992565148	870236772	/nfs/dbraw/zinc/23/67/72/870236772.db2.gz	AJLWBCUMXAWQFG-QFBILLFUSA-N	1	0	363.527	1.002	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)C[C@H](C)N1CC#N	ZINC000914026183	870381898	/nfs/dbraw/zinc/38/18/98/870381898.db2.gz	RTANRUQHNDIBKZ-CALCHBBNSA-N	1	0	373.501	1.755	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H](C)C1N=NC(=O)N1C)C(C)C	ZINC000914125412	870940102	/nfs/dbraw/zinc/94/01/02/870940102.db2.gz	DWDLHUUYEMSJMM-KBPBESRZSA-N	1	0	350.467	1.580	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1C[C@@H](O)C12CCOCC2)C(C)C	ZINC000914127502	870947859	/nfs/dbraw/zinc/94/78/59/870947859.db2.gz	JYSIZWGCMFDVJZ-FGTMMUONSA-N	1	0	365.518	1.914	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1CCc2nnn(C)c2C1)C(C)C	ZINC000914127619	870950067	/nfs/dbraw/zinc/95/00/67/870950067.db2.gz	MRPZAQIYDNXLQI-QAPCUYQASA-N	1	0	360.506	1.670	20	30		FDEDRO
C=CCOCCN1C[C@@H](NC(=O)c2ccccc2F)[C@@H](n2ccnn2)C1	ZINC001128633601	882462892	/nfs/dbraw/zinc/46/28/92/882462892.db2.gz	PWKKIWNEAGRNDK-SJORKVTESA-N	1	0	359.405	1.275	20	30		FDEDRO
CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1	ZINC001033427761	882497637	/nfs/dbraw/zinc/49/76/37/882497637.db2.gz	IUZKFARUHVACND-FGTMMUONSA-N	1	0	354.454	1.493	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C)c(NC(C)=O)c2)C[C@H]1C	ZINC001106163630	871498162	/nfs/dbraw/zinc/49/81/62/871498162.db2.gz	YTZQJIZUNRDMRO-VQIMIIECSA-N	1	0	371.481	1.901	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)CC)C2)C[C@H]1C	ZINC001106163288	871514664	/nfs/dbraw/zinc/51/46/64/871514664.db2.gz	QGLLXVDGFUAJEB-KZNAEPCWSA-N	1	0	365.518	1.522	20	30		FDEDRO
C#CCN(C(=O)N[C@H](C)[C@@H]1CCCN(C(=O)OC)C1)C1CC[NH+](C)CC1	ZINC000922050546	871592349	/nfs/dbraw/zinc/59/23/49/871592349.db2.gz	HMHHJAZASPHZAX-HZPDHXFCSA-N	1	0	364.490	1.592	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3ccn(C)n3)on2)C[C@H]1C	ZINC001106177168	871610339	/nfs/dbraw/zinc/61/03/39/871610339.db2.gz	QJLMCDSTXVXFGU-HUUCEWRRSA-N	1	0	371.441	1.023	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1OC	ZINC001212487087	872146372	/nfs/dbraw/zinc/14/63/72/872146372.db2.gz	RDHADSQEZCXDRG-QZTJIDSGSA-N	1	0	358.486	1.604	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN([C@H](CC)C(=O)OC)CC2)CC1	ZINC000493809842	872387023	/nfs/dbraw/zinc/38/70/23/872387023.db2.gz	NJRVXHIMIYECFH-QGZVFWFLSA-N	1	0	366.506	1.306	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@]2(C)C1	ZINC000992810679	872448273	/nfs/dbraw/zinc/44/82/73/872448273.db2.gz	YAVVDWOXLZLWPD-MDOVXXIYSA-N	1	0	369.469	1.291	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001033489975	882618118	/nfs/dbraw/zinc/61/81/18/882618118.db2.gz	LRWXHLMXCDGXLO-ZIFCJYIRSA-N	1	0	354.454	1.157	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1cnc[nH]1	ZINC001003146028	872658643	/nfs/dbraw/zinc/65/86/43/872658643.db2.gz	KXWFNZBIBXLQNR-MTSZKFMLSA-N	1	0	358.442	1.182	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)cc1	ZINC000994413326	882647635	/nfs/dbraw/zinc/64/76/35/882647635.db2.gz	VJPDMAVAHPREDZ-OXQOHEQNSA-N	1	0	367.493	1.834	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1	ZINC000914400792	872713275	/nfs/dbraw/zinc/71/32/75/872713275.db2.gz	UKMBZBNZRYXSRG-KRWDZBQOSA-N	1	0	370.497	1.981	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)c3coc(C)c3)C[C@]2(C)C1	ZINC000992831846	872770357	/nfs/dbraw/zinc/77/03/57/872770357.db2.gz	ZGSMHVYENFRLRR-BBTUJRGHSA-N	1	0	369.465	1.606	20	30		FDEDRO
C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1CN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2	ZINC000992890575	873065781	/nfs/dbraw/zinc/06/57/81/873065781.db2.gz	OBLWCKQDDYAHST-BBTUJRGHSA-N	1	0	355.482	1.049	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2ccc[nH]2)CC1	ZINC001003364739	873181823	/nfs/dbraw/zinc/18/18/23/873181823.db2.gz	CDJOPLLKCXTBIH-QRVBRYPASA-N	1	0	368.481	1.151	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CCc2cc(OC)no2)C[C@H]1C	ZINC001106187302	873189629	/nfs/dbraw/zinc/18/96/29/873189629.db2.gz	CYKXPBXJEZMGOL-HUUCEWRRSA-N	1	0	351.447	1.503	20	30		FDEDRO
C=CCC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1	ZINC001003357409	873195777	/nfs/dbraw/zinc/19/57/77/873195777.db2.gz	ZCZJCRLIDVJRCK-MSOLQXFVSA-N	1	0	351.491	1.023	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC=CCC2)CC1	ZINC001003362970	873215930	/nfs/dbraw/zinc/21/59/30/873215930.db2.gz	JJGCDYHPVYVNSV-NMLBUPMWSA-N	1	0	369.509	1.936	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](F)C(C)C)CC1	ZINC001003362841	873215975	/nfs/dbraw/zinc/21/59/75/873215975.db2.gz	GMTLKLUXHIZESZ-ZJPYXAASSA-N	1	0	363.477	1.574	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C(C)(F)F)CC1	ZINC001003363178	873216848	/nfs/dbraw/zinc/21/68/48/873216848.db2.gz	NHWSHQITKPUDFX-KFWWJZLASA-N	1	0	353.413	1.235	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2coc(C)c2)CC1	ZINC001003365617	873244929	/nfs/dbraw/zinc/24/49/29/873244929.db2.gz	NIPNOYDLSBTKMO-QRVBRYPASA-N	1	0	369.465	1.795	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2(CF)CC2)CC1	ZINC001003365896	873245072	/nfs/dbraw/zinc/24/50/72/873245072.db2.gz	RHNWJIYUVOVCIY-ZACQAIPSSA-N	1	0	361.461	1.329	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)C[C@]3(C)C2)C1	ZINC000992958060	873380858	/nfs/dbraw/zinc/38/08/58/873380858.db2.gz	DYGZBDBSVFUXSK-NJNPRVFISA-N	1	0	371.525	1.991	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](C[NH2+]CCOCCOC)[C@H](C)C1)OCC	ZINC001106197148	873443119	/nfs/dbraw/zinc/44/31/19/873443119.db2.gz	JGHVBRDNRNMIRG-KURKYZTESA-N	1	0	356.507	1.705	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2=O)CC1	ZINC000922177436	873454376	/nfs/dbraw/zinc/45/43/76/873454376.db2.gz	LCECHGQRSSBTJU-IBGZPJMESA-N	1	0	368.481	1.493	20	30		FDEDRO
C[NH+](C)[C@H](C(=O)N1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@]2(C)C1)C1CC1	ZINC000993023054	873723051	/nfs/dbraw/zinc/72/30/51/873723051.db2.gz	DSQSYHISHCEKNZ-SYNHAJSKSA-N	1	0	369.469	1.147	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)[C@@H]4CC45CC5)C[C@@]3(C)C2)CC1	ZINC000993021431	873726397	/nfs/dbraw/zinc/72/63/97/873726397.db2.gz	VEKUFSLBLGICHL-BBTUJRGHSA-N	1	0	369.509	1.439	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2cn(-c3cccnc3)nn2)C[C@H]1C	ZINC001106219473	873933434	/nfs/dbraw/zinc/93/34/34/873933434.db2.gz	OLLBJFSNPGKUNO-HZPDHXFCSA-N	1	0	354.458	1.926	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]CCn3cccn3)[C@H](C)C2)CCOCC1	ZINC001106234967	874045385	/nfs/dbraw/zinc/04/53/85/874045385.db2.gz	GATFLRQPZJLREV-QZTJIDSGSA-N	1	0	358.486	1.387	20	30		FDEDRO
CCn1nnc(C)c1C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1	ZINC001106240303	874081992	/nfs/dbraw/zinc/08/19/92/874081992.db2.gz	SPFMDLAORGRVMX-VQIMIIECSA-N	1	0	365.481	1.956	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@]2(C)C1	ZINC000993070719	874137103	/nfs/dbraw/zinc/13/71/03/874137103.db2.gz	WINNXPYRIBWZJE-FCEWJHQRSA-N	1	0	358.486	1.329	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1Cn1c(C)cc(C=NN[C@@H]2CCS(=O)(=O)C2)c1C	ZINC000914690145	874506037	/nfs/dbraw/zinc/50/60/37/874506037.db2.gz	LCIUYVXIKSGPAY-QZTJIDSGSA-N	1	0	366.531	1.700	20	30		FDEDRO
CC(C)(C#N)CNC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000495187519	874638836	/nfs/dbraw/zinc/63/88/36/874638836.db2.gz	YXSIGSPHYSZXGU-QGZVFWFLSA-N	1	0	371.485	1.733	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3cc(C)nc3C2)C[C@H]1C	ZINC001106317452	874746658	/nfs/dbraw/zinc/74/66/58/874746658.db2.gz	BEIMZYWRMBSLLL-BPQIPLTHSA-N	1	0	360.502	1.641	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3nc(C)[nH]c3C2)C[C@H]1C	ZINC001106342879	874850067	/nfs/dbraw/zinc/85/00/67/874850067.db2.gz	HKSJLNSQVHDCFL-HYVNUMGLSA-N	1	0	360.502	1.710	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cnc3c(c2)NC(=O)CO3)C[C@H]1C	ZINC001106381737	875009985	/nfs/dbraw/zinc/00/99/85/875009985.db2.gz	BNSXHTLRWGRBCW-ZWNOBZJWSA-N	1	0	364.833	1.463	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(OCC(N)=O)cc2)C[C@H]1C	ZINC001106396402	875070669	/nfs/dbraw/zinc/07/06/69/875070669.db2.gz	PSKBQTHCVJXSEK-NVXWUHKLSA-N	1	0	359.470	1.815	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)CCC(=O)N3)C[C@H]1C	ZINC001106399688	875093033	/nfs/dbraw/zinc/09/30/33/875093033.db2.gz	MNNUIJLULMCSIP-CRAIPNDOSA-N	1	0	369.465	1.519	20	30		FDEDRO
COc1cnc(C(=O)N2C[C@@H](C[NH2+]CC#Cc3ccccc3)[C@H](C)C2)nc1	ZINC001106403721	875133834	/nfs/dbraw/zinc/13/38/34/875133834.db2.gz	OUPMDALMUSIOQA-SJLPKXTDSA-N	1	0	364.449	1.835	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC(C)(C)CO2)C[C@H]1C	ZINC001106413943	875164213	/nfs/dbraw/zinc/16/42/13/875164213.db2.gz	ZNXBPTHYAFOCHG-BZUAXINKSA-N	1	0	351.491	1.178	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@]3(C)C2)C1	ZINC000993161634	875196102	/nfs/dbraw/zinc/19/61/02/875196102.db2.gz	YZJKPYKMCYKTSU-PTSWNOGYSA-N	1	0	369.469	1.149	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cc(C(F)F)n(C)n2)C[C@H]1C	ZINC001106427468	875260105	/nfs/dbraw/zinc/26/01/05/875260105.db2.gz	AWPNONHMVHGQKE-CHWSQXEVSA-N	1	0	356.417	1.858	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC(C)(C)COC)C[C@H]1C	ZINC001106469815	875514242	/nfs/dbraw/zinc/51/42/42/875514242.db2.gz	KWDPLNNSRPJNKZ-OWCLPIDISA-N	1	0	353.507	1.424	20	30		FDEDRO
COC[C@@]1(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)cc3)[C@H](C)C2)CCOC1	ZINC001106486686	875624921	/nfs/dbraw/zinc/62/49/21/875624921.db2.gz	DCVLLLOBDATVQL-BSIFCXSSSA-N	1	0	371.481	1.795	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CC2)[C@H](C)C1	ZINC001106486505	875642536	/nfs/dbraw/zinc/64/25/36/875642536.db2.gz	VPUMKNTWRIYDPD-SPYBWZPUSA-N	1	0	351.491	1.178	20	30		FDEDRO
COC[C@@]1(C(=O)N2C[C@@H](C[NH2+]Cc3ccccc3C#N)[C@H](C)C2)CCOC1	ZINC001106488994	875657255	/nfs/dbraw/zinc/65/72/55/875657255.db2.gz	ZDLLHFCVKHTFQV-BSIFCXSSSA-N	1	0	371.481	1.795	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)C(=C)C)C[C@H]1C	ZINC001106517890	875814804	/nfs/dbraw/zinc/81/48/04/875814804.db2.gz	YGPIRAGCUCSLFD-HUUCEWRRSA-N	1	0	364.490	1.285	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ncoc2[C@@H]2CCCO2)C[C@H]1C	ZINC001106522137	875827366	/nfs/dbraw/zinc/82/73/66/875827366.db2.gz	DVVDXSCZGNFKQL-OAGGEKHMSA-N	1	0	361.442	1.474	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2nnc(C)s2)[C@H](C)C1	ZINC001106527356	875847821	/nfs/dbraw/zinc/84/78/21/875847821.db2.gz	QJWPXHJPMXIZGZ-DGCLKSJQSA-N	1	0	365.503	1.681	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)CC(=C)C)C[C@H]1C	ZINC001106563828	875962708	/nfs/dbraw/zinc/96/27/08/875962708.db2.gz	LNVYCNCVYMSOTO-BZUAXINKSA-N	1	0	364.490	1.285	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)N(C)CC(F)(F)F)C[C@H]1C	ZINC001106574613	875993695	/nfs/dbraw/zinc/99/36/95/875993695.db2.gz	MFKZNCFRZVROPB-QLFBSQMISA-N	1	0	365.440	1.756	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCc3nn(C)cc32)C[C@H]1C	ZINC001106588718	876073623	/nfs/dbraw/zinc/07/36/23/876073623.db2.gz	HSAAJMYHYHWCCI-ZACQAIPSSA-N	1	0	360.502	1.727	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(F)c(F)cc2F)C[C@H]1C	ZINC001106594715	876087753	/nfs/dbraw/zinc/08/77/53/876087753.db2.gz	CNYMZLXZXPRMQF-VXGBXAGGSA-N	1	0	367.371	1.151	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3ccncc3)on2)C[C@H]1C	ZINC001106597629	876122934	/nfs/dbraw/zinc/12/29/34/876122934.db2.gz	FZEVJELBVMAZKT-NVXWUHKLSA-N	1	0	368.437	1.684	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2cccc(Cl)c2)C[C@H]1C	ZINC001106614250	876209326	/nfs/dbraw/zinc/20/93/26/876209326.db2.gz	BKAUYCRHUQQSQP-GDBMZVCRSA-N	1	0	361.873	1.316	20	30		FDEDRO
Cc1ccc(F)c(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)c1F	ZINC001106623669	876256979	/nfs/dbraw/zinc/25/69/79/876256979.db2.gz	YROHAITXCCIHEW-CHWSQXEVSA-N	1	0	364.396	1.211	20	30		FDEDRO
COC(=O)c1ccc(C=NOCC(=O)NC2CC[NH+](C3CC3)CC2)cc1	ZINC000762639189	876296896	/nfs/dbraw/zinc/29/68/96/876296896.db2.gz	DRFTWUIDAQURMD-UHFFFAOYSA-N	1	0	359.426	1.567	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(Cl)[nH]2)C[C@H]1C	ZINC001106644482	876353589	/nfs/dbraw/zinc/35/35/89/876353589.db2.gz	VVZAXXHHQPWNPO-FRRDWIJNSA-N	1	0	350.850	1.104	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(C(C)C)CC2)C[C@H]1C	ZINC001106644989	876355041	/nfs/dbraw/zinc/35/50/41/876355041.db2.gz	IXACPLJVSYTINO-IAGOWNOFSA-N	1	0	362.518	1.869	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]CCc3cnn(CC)c3)[C@H](C)C2)c1	ZINC001106651364	876391756	/nfs/dbraw/zinc/39/17/56/876391756.db2.gz	SHNUGCHALFXJRY-OXQOHEQNSA-N	1	0	365.481	1.820	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)C2CC2)[C@H](C)C1	ZINC001106680526	876547866	/nfs/dbraw/zinc/54/78/66/876547866.db2.gz	VGSBOKCUWVETJI-AHCXZYCDSA-N	1	0	363.502	1.273	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC2CC2)[C@H](C)C1	ZINC001106681095	876550362	/nfs/dbraw/zinc/55/03/62/876550362.db2.gz	UVNISTIVKXRXRY-DDBAPUKQSA-N	1	0	363.502	1.130	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2-n2cccn2)C[C@H]1C	ZINC001106701031	876611462	/nfs/dbraw/zinc/61/14/62/876611462.db2.gz	YRSVJBYBSMFZOD-QZTJIDSGSA-N	1	0	366.465	1.820	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(CC)cc2)C[C@H]1C	ZINC001106712604	876904801	/nfs/dbraw/zinc/90/48/01/876904801.db2.gz	DCZRRXKTXGIVJL-VQIMIIECSA-N	1	0	357.498	1.778	20	30		FDEDRO
COCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1	ZINC001106726434	876993429	/nfs/dbraw/zinc/99/34/29/876993429.db2.gz	NOJPSWWIYORNDU-GPMSIDNRSA-N	1	0	359.470	1.794	20	30		FDEDRO
COc1cc(C)sc1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106728382	877058073	/nfs/dbraw/zinc/05/80/73/877058073.db2.gz	FBTTVZMXZBKYSX-DGCLKSJQSA-N	1	0	364.471	1.003	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C[NH+](C)C)C(C)C)c1	ZINC000915622364	877134618	/nfs/dbraw/zinc/13/46/18/877134618.db2.gz	BUFZIBNUOOCQBT-MRXNPFEDSA-N	1	0	353.488	1.467	20	30		FDEDRO
CCOC(=O)N[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000915683372	877203931	/nfs/dbraw/zinc/20/39/31/877203931.db2.gz	RDUYRBJKGCBPRW-DLBZAZTESA-N	1	0	361.442	1.703	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccccc2)C[C@H]1C	ZINC001106738964	877341861	/nfs/dbraw/zinc/34/18/61/877341861.db2.gz	NATGPBARHRPZID-OWYHZJEWSA-N	1	0	353.466	1.224	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]CCn3cncn3)[C@H](C)C2)cc1	ZINC001106740608	877407694	/nfs/dbraw/zinc/40/76/94/877407694.db2.gz	XEIPJECJXIUZTK-SJLPKXTDSA-N	1	0	367.453	1.288	20	30		FDEDRO
C[NH+](C)C1(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CCC1	ZINC000762975654	877409289	/nfs/dbraw/zinc/40/92/89/877409289.db2.gz	VFSDTZPLAJGOHB-UHFFFAOYSA-N	1	0	366.469	1.859	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)CCc2cn[nH]c2)C[C@H]1C	ZINC001106747253	877443299	/nfs/dbraw/zinc/44/32/99/877443299.db2.gz	ODNKHIFZOVAFFE-BXUZGUMPSA-N	1	0	355.280	1.935	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2oc(C3CC3)nc2C)C[C@H]1C	ZINC001106745514	877459553	/nfs/dbraw/zinc/45/95/53/877459553.db2.gz	OTZHQWFJSXGUJW-IUODEOHRSA-N	1	0	360.458	1.460	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)C2	ZINC001112542364	877530653	/nfs/dbraw/zinc/53/06/53/877530653.db2.gz	STEQRBOYJSTMMI-BQFCYCMXSA-N	1	0	371.547	1.355	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)COC3)C[C@H]1C	ZINC001106756071	877572147	/nfs/dbraw/zinc/57/21/47/877572147.db2.gz	INCAJBCAHQXOPV-SPYBWZPUSA-N	1	0	369.465	1.152	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@@H](N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1=O	ZINC000282353298	877642991	/nfs/dbraw/zinc/64/29/91/877642991.db2.gz	VVEWOJVBKYXHNM-DOTOQJQBSA-N	1	0	374.510	1.769	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(C)CCOCC2)C[C@H]1C	ZINC001106767443	877646478	/nfs/dbraw/zinc/64/64/78/877646478.db2.gz	BTZSMGPWAXROET-OWCLPIDISA-N	1	0	351.491	1.178	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)CC1	ZINC000922327710	877656793	/nfs/dbraw/zinc/65/67/93/877656793.db2.gz	DWKMIFWGXQGPHB-AEFFLSMTSA-N	1	0	360.502	1.564	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)CC1	ZINC000922345811	877823147	/nfs/dbraw/zinc/82/31/47/877823147.db2.gz	PMBUZVCWJVUPHL-LPHOPBHVSA-N	1	0	368.481	1.573	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@]3(C)C2)c1	ZINC000993399816	877893133	/nfs/dbraw/zinc/89/31/33/877893133.db2.gz	CBPLVQNTBPXXNY-BBTUJRGHSA-N	1	0	368.481	1.324	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2NC(=O)c3ccccc32)C[C@H]1C	ZINC001106788344	877925171	/nfs/dbraw/zinc/92/51/71/877925171.db2.gz	REBPMKQZWUNDCU-MDZRGWNJSA-N	1	0	369.465	1.195	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCCNC(=O)/C=C/c2ccccc2)CC1	ZINC000922367477	877926844	/nfs/dbraw/zinc/92/68/44/877926844.db2.gz	XQIUPSZTUCSREE-MDZDMXLPSA-N	1	0	368.481	1.603	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC(N(C)C(=O)C[NH+]2CCCC2)CC1	ZINC001004102372	878035064	/nfs/dbraw/zinc/03/50/64/878035064.db2.gz	VKKOQSKQEIFNIU-HIEASXQVSA-N	1	0	363.502	1.559	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106802606	878048904	/nfs/dbraw/zinc/04/89/04/878048904.db2.gz	FFEFRJXNGJWSAQ-CRAIPNDOSA-N	1	0	364.449	1.463	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(CC)CCOCC2)C[C@H]1C	ZINC001106808659	878101996	/nfs/dbraw/zinc/10/19/96/878101996.db2.gz	SEPOAXLWVIQEBW-IXDOHACOSA-N	1	0	365.518	1.568	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccc(OCCCOC)cc2)CC1	ZINC000922421536	878118213	/nfs/dbraw/zinc/11/82/13/878118213.db2.gz	GXRPEPRYOZYDGG-UHFFFAOYSA-N	1	0	359.470	1.999	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2	ZINC001004154410	878223907	/nfs/dbraw/zinc/22/39/07/878223907.db2.gz	QFUSFXSBLXUOBH-LIRZEXBASA-N	1	0	354.454	1.770	20	30		FDEDRO
C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1	ZINC000282132172	878231922	/nfs/dbraw/zinc/23/19/22/878231922.db2.gz	UWOLYQKXCZPKSQ-SNVBAGLBSA-N	1	0	370.331	1.463	20	30		FDEDRO
C#CCC1(NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CCOCC1	ZINC000925426640	878369646	/nfs/dbraw/zinc/36/96/46/878369646.db2.gz	VZXMWHNPBQTIMD-HNNXBMFYSA-N	1	0	367.490	1.520	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)COCc2ncnn2C)C[C@H]1C	ZINC001106824747	878433142	/nfs/dbraw/zinc/43/31/42/878433142.db2.gz	FXTRWKWSEHVUHQ-IAGOWNOFSA-N	1	0	363.506	1.762	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2OC)CC1	ZINC000946585192	878667333	/nfs/dbraw/zinc/66/73/33/878667333.db2.gz	OEYQSLIRBYTYKY-KZNAEPCWSA-N	1	0	365.518	1.661	20	30		FDEDRO
C=C(C)CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CC2	ZINC001128053913	912397089	/nfs/dbraw/zinc/39/70/89/912397089.db2.gz	HPXFHKJEQQEPDM-HZMVEIRTSA-N	1	0	373.501	1.723	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O	ZINC000922731098	879131924	/nfs/dbraw/zinc/13/19/24/879131924.db2.gz	LGLSFNARKFIUJL-VMENWCDDSA-N	1	0	351.491	1.499	20	30		FDEDRO
CN(Cc1ccccc1)C(=O)CNC(=O)C[NH2+]Cc1ccc(C#N)cc1	ZINC000922764985	879215678	/nfs/dbraw/zinc/21/56/78/879215678.db2.gz	ULGMTQNSVGADAY-UHFFFAOYSA-N	1	0	350.422	1.423	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)[C@H]3CC=CCC3)[C@H](C)C2)CC1	ZINC000993737200	879367834	/nfs/dbraw/zinc/36/78/34/879367834.db2.gz	UGQLQCQAKUDCOF-WSTZPKSXSA-N	1	0	371.525	1.899	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1	ZINC001004535769	879813178	/nfs/dbraw/zinc/81/31/78/879813178.db2.gz	MHGGIZWHTWIUCQ-SQNIBIBYSA-N	1	0	363.502	1.415	20	30		FDEDRO
C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[C@@H]3N3CCCC3=O)CC[C@@H]2C1	ZINC000946627729	879866798	/nfs/dbraw/zinc/86/67/98/879866798.db2.gz	CNLNZFCPNUXSBU-WCIQWLHISA-N	1	0	371.525	1.971	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2OC)C1	ZINC000946632524	879917973	/nfs/dbraw/zinc/91/79/73/879917973.db2.gz	FSTDJKWLXQRKFQ-BRWVUGGUSA-N	1	0	361.486	1.027	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ncoc2C2CC2)C[C@H]1C	ZINC001106835974	880054256	/nfs/dbraw/zinc/05/42/56/880054256.db2.gz	UXXVJKWKORKLJG-VNHYZAJKSA-N	1	0	360.458	1.540	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC000993913801	880131029	/nfs/dbraw/zinc/13/10/29/880131029.db2.gz	MGGYKPYXQJQTSG-UKRRQHHQSA-N	1	0	357.458	1.195	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC000993914237	880132305	/nfs/dbraw/zinc/13/23/05/880132305.db2.gz	NQIVQUMPWLKIBW-KKVAFCGZSA-N	1	0	369.469	1.197	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ncoc2C(C)C)C[C@H]1C	ZINC001106842138	880641524	/nfs/dbraw/zinc/64/15/24/880641524.db2.gz	YVWPFCPXSGOULV-QLFBSQMISA-N	1	0	360.458	1.234	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)CCCn2cncn2)C[C@H]1C	ZINC001106842199	880652929	/nfs/dbraw/zinc/65/29/29/880652929.db2.gz	ABRHWECGLKLMDR-TZMCWYRMSA-N	1	0	370.295	1.651	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)CC3CCC3)C[C@H]2C)CC1	ZINC000994135054	880697702	/nfs/dbraw/zinc/69/77/02/880697702.db2.gz	HSEISZYKFVKQKA-VQIMIIECSA-N	1	0	359.514	1.733	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)[C@H](F)C(C)C)C[C@H]2C)CC1	ZINC000994133212	880730938	/nfs/dbraw/zinc/73/09/38/880730938.db2.gz	AORLDDAMCDVQNM-KBAYOESNSA-N	1	0	365.493	1.536	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)Cc3ccc[nH]3)C[C@H]2C)CC1	ZINC000994135813	880893609	/nfs/dbraw/zinc/89/36/09/880893609.db2.gz	LPOBBOSQEYNTJE-SJLPKXTDSA-N	1	0	370.497	1.113	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cn2nc3n(c2=O)CCCC3)C[C@H]1C	ZINC001106844312	880917792	/nfs/dbraw/zinc/91/77/92/880917792.db2.gz	WXSTWBZLNMNKAW-HZPDHXFCSA-N	1	0	361.490	1.031	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C[NH2+]CCn2cncn2)[C@H](C)C1	ZINC001106858276	881137433	/nfs/dbraw/zinc/13/74/33/881137433.db2.gz	DKXBDKMJFPMLLQ-HZPDHXFCSA-N	1	0	370.457	1.236	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC)[C@H](C)C1	ZINC001106858680	881139773	/nfs/dbraw/zinc/13/97/73/881139773.db2.gz	QCLRVSYSWZURFS-QLFBSQMISA-N	1	0	360.458	1.079	20	30		FDEDRO
CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)CCOc1ccc(C#N)cc1	ZINC000272733185	881191103	/nfs/dbraw/zinc/19/11/03/881191103.db2.gz	DDNNSODLOHMWMG-QGZVFWFLSA-N	1	0	360.458	1.419	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)NC(=O)CC(C)(C)C)C[C@H]1C	ZINC001106861847	881234111	/nfs/dbraw/zinc/23/41/11/881234111.db2.gz	JUYKREORQXDKJG-BRWVUGGUSA-N	1	0	367.534	1.814	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]nc2-c2cnn(C)c2)C[C@H]1C	ZINC001106862309	881267962	/nfs/dbraw/zinc/26/79/62/881267962.db2.gz	YUPVLFRLILIRDM-DGCLKSJQSA-N	1	0	362.865	1.860	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H](C2CCOCC2)C2(CO)CCC2)CC1	ZINC000917142297	883131150	/nfs/dbraw/zinc/13/11/50/883131150.db2.gz	YTRYRXSYQZFUGX-GOSISDBHSA-N	1	0	365.518	1.894	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2ncoc2C)[C@@H](n2ccnn2)C1	ZINC001128758030	883228582	/nfs/dbraw/zinc/22/85/82/883228582.db2.gz	MSFXDFPIEGAJSB-CVEARBPZSA-N	1	0	358.446	1.976	20	30		FDEDRO
CCN(C(=O)[C@H]1OCCO[C@H]1C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC001033861331	883283116	/nfs/dbraw/zinc/28/31/16/883283116.db2.gz	GUXBQPJVLVLGGG-SNRMKQJTSA-N	1	0	357.454	1.785	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC/C=C/CC)C[C@@H]1n1ccnn1	ZINC001128786461	883576852	/nfs/dbraw/zinc/57/68/52/883576852.db2.gz	WDXRTMAVGWYXIA-CYRIWFJWSA-N	1	0	361.490	1.957	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@H+](CCCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001128811903	883700631	/nfs/dbraw/zinc/70/06/31/883700631.db2.gz	IIEIVZYHHPJPQJ-MOPGFXCFSA-N	1	0	369.469	1.455	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCCC2)C[C@H]1C(F)(F)F	ZINC001099320430	883718844	/nfs/dbraw/zinc/71/88/44/883718844.db2.gz	PTMUBWUPCBQYII-VXGBXAGGSA-N	1	0	368.421	1.509	20	30		FDEDRO
COCC#CCN1C[C@@H](NC(=O)CCCC(C)(C)C)[C@@H](n2ccnn2)C1	ZINC001128820920	883719799	/nfs/dbraw/zinc/71/97/99/883719799.db2.gz	JOIVVUIKFSCMKK-SJORKVTESA-N	1	0	361.490	1.486	20	30		FDEDRO
Cc1ccc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@H](C)C#N)[C@@H](n3ccnn3)C2)c1	ZINC001128826063	883748906	/nfs/dbraw/zinc/74/89/06/883748906.db2.gz	WKLAIJCOUGIMBO-NXHRZFHOSA-N	1	0	352.442	1.596	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](CCCCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001128830735	883758028	/nfs/dbraw/zinc/75/80/28/883758028.db2.gz	WOJHEGRABTXTDW-UHOSZYNNSA-N	1	0	366.469	1.802	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC(NCc2nnc(OCC)s2)C1	ZINC000999430044	912757651	/nfs/dbraw/zinc/75/76/51/912757651.db2.gz	HCVTYQPAPIOBTR-PQAZSJQKSA-N	1	0	366.487	1.607	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](CC)OC)C[C@@H]1n1ccnn1	ZINC001128869139	883874302	/nfs/dbraw/zinc/87/43/02/883874302.db2.gz	FREFRDAHRFOJOK-BBWFWOEESA-N	1	0	365.478	1.027	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cncc(C)c2)[C@@H](n2ccnn2)C1	ZINC001128869181	883876492	/nfs/dbraw/zinc/87/64/92/883876492.db2.gz	GZNYFSRFPKGKQQ-NXHRZFHOSA-N	1	0	354.458	1.992	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](n2ccnn2)C1	ZINC001128903229	884021455	/nfs/dbraw/zinc/02/14/55/884021455.db2.gz	LAIHLUHCVOVAKQ-MSOLQXFVSA-N	1	0	367.457	1.880	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O)C1CC[NH+](C)CC1	ZINC000918283818	884284355	/nfs/dbraw/zinc/28/43/55/884284355.db2.gz	LVXSNPPOEMBAPS-QGZVFWFLSA-N	1	0	372.444	1.670	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]CCOCC=C)[C@H](C)C1	ZINC001106891084	884288349	/nfs/dbraw/zinc/28/83/49/884288349.db2.gz	UXVVTBCFHRLOAJ-IAGOWNOFSA-N	1	0	357.454	1.594	20	30		FDEDRO
C[NH+]1C[C@]2(C)CN(S(=O)(=O)c3c(F)cc(C#N)cc3F)C[C@@]2(C)C1	ZINC000918359953	884367830	/nfs/dbraw/zinc/36/78/30/884367830.db2.gz	NYFMMAHFUIFPEQ-HZPDHXFCSA-N	1	0	355.410	1.799	20	30		FDEDRO
C=CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001034436181	884367747	/nfs/dbraw/zinc/36/77/47/884367747.db2.gz	PKBSQXAEAILVAJ-JENIJYKNSA-N	1	0	356.470	1.758	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)C[C@](C)(O)C=C)[C@@H](n2ccnn2)C1	ZINC001128962291	884486264	/nfs/dbraw/zinc/48/62/64/884486264.db2.gz	RZSCUTMRCHFKDK-ZIFCJYIRSA-N	1	0	361.490	1.693	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2nnnn2C)CC1	ZINC001034648537	884617220	/nfs/dbraw/zinc/61/72/20/884617220.db2.gz	KFHWIEVTXYPHMT-GVRJEKJASA-N	1	0	362.478	1.269	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CCC)C[C@@H]2n2ccnn2)cc1	ZINC001128985738	884731592	/nfs/dbraw/zinc/73/15/92/884731592.db2.gz	SHLOYUJLTFCZLT-MOPGFXCFSA-N	1	0	367.453	1.746	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CCCC(=O)NCCC)C[C@H]1C	ZINC001106891339	884742200	/nfs/dbraw/zinc/74/22/00/884742200.db2.gz	CDYNNEPDMRQVTE-IAGOWNOFSA-N	1	0	353.507	1.570	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CC2CC3(CCC3)C2)C[C@@H]1n1ccnn1	ZINC001128989171	884803231	/nfs/dbraw/zinc/80/32/31/884803231.db2.gz	LINCOJOSZGDXCA-NXHRZFHOSA-N	1	0	371.485	1.238	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@@H]1n1ccnn1	ZINC001128989638	884831476	/nfs/dbraw/zinc/83/14/76/884831476.db2.gz	RRKTUOGABWIFTF-UAGQMJEPSA-N	1	0	359.474	1.094	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCCCCC=C)C[C@@H]1n1ccnn1	ZINC001128990064	884837794	/nfs/dbraw/zinc/83/77/94/884837794.db2.gz	YTZJMQCAUVAHTL-KURKYZTESA-N	1	0	359.474	1.404	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)CC1	ZINC001034735102	884927338	/nfs/dbraw/zinc/92/73/38/884927338.db2.gz	AIYAUMHTNHXDCF-MKXGPGLRSA-N	1	0	371.481	1.894	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCN(C(C)C)C2=O)CC1	ZINC001034739521	884934691	/nfs/dbraw/zinc/93/46/91/884934691.db2.gz	UXXQCQUBRFYHKY-DZVNLGKHSA-N	1	0	363.502	1.604	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@@H](CC)C(N)=O)CC1	ZINC001034753358	884963731	/nfs/dbraw/zinc/96/37/31/884963731.db2.gz	KGWVKMSSMVKDAZ-WOYTXXSLSA-N	1	0	351.491	1.639	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1	ZINC000498502359	885057683	/nfs/dbraw/zinc/05/76/83/885057683.db2.gz	ZYZSAGVQCOLFDF-XKQJLSEDSA-N	1	0	360.433	1.965	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@@H]1n1ccnn1	ZINC001129014213	885140955	/nfs/dbraw/zinc/14/09/55/885140955.db2.gz	FKAMQVOTOQVSPD-BBWFWOEESA-N	1	0	361.490	1.791	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccccc2)C[C@@H]1O	ZINC001083967522	912909285	/nfs/dbraw/zinc/90/92/85/912909285.db2.gz	LJGYUEYDHJDFNW-IPELMVKDSA-N	1	0	365.433	1.630	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2nnc(C(C)C)[nH]2)C1	ZINC000999540793	912912377	/nfs/dbraw/zinc/91/23/77/912912377.db2.gz	ZEJRZLXWECIKOS-NDTCATRNSA-N	1	0	361.490	1.988	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cc3occc3[nH]2)[C@@H](n2ccnn2)C1	ZINC001129020083	885250941	/nfs/dbraw/zinc/25/09/41/885250941.db2.gz	IAQAUJBPHOPZSO-CVEARBPZSA-N	1	0	354.414	1.974	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC3CCC4(CC4)CC3)C[C@@H]2O)cn1	ZINC001083969118	912917563	/nfs/dbraw/zinc/91/75/63/912917563.db2.gz	VQMVPLCQMAUJAT-MOPGFXCFSA-N	1	0	353.466	1.808	20	30		FDEDRO
C=CCCOCC(=O)N(C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001078990483	885332447	/nfs/dbraw/zinc/33/24/47/885332447.db2.gz	IDHHVYUGOHSBCC-FGTMMUONSA-N	1	0	365.518	1.759	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccc(OCC)nc2)[C@@H](n2ccnn2)C1	ZINC001129031913	885359028	/nfs/dbraw/zinc/35/90/28/885359028.db2.gz	JTUBNMLOAOESSV-SJORKVTESA-N	1	0	370.457	1.693	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC(F)(F)C2)[C@@H](n2ccnn2)C1	ZINC001129037878	885435458	/nfs/dbraw/zinc/43/54/58/885435458.db2.gz	DOBIOVWRYXXEFA-KFWWJZLASA-N	1	0	369.416	1.258	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CC(C)C)C[C@@H]2n2ccnn2)CCOCC1	ZINC001129043237	885517899	/nfs/dbraw/zinc/51/78/99/885517899.db2.gz	NVGIIKDCVLBCIQ-SJORKVTESA-N	1	0	359.474	1.096	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cnc(C)o2)[C@@H](n2ccnn2)C1	ZINC001129043775	885522571	/nfs/dbraw/zinc/52/25/71/885522571.db2.gz	XHPAUMDBTFWQRE-XKQJLSEDSA-N	1	0	358.446	1.513	20	30		FDEDRO
CN1CC[C@@H]2CN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)C[C@@H]21	ZINC001129073228	885672532	/nfs/dbraw/zinc/67/25/32/885672532.db2.gz	DHTAOSNGSUWBPD-WBVHZDCISA-N	1	0	361.467	1.540	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCc3ccnn3C)[C@H](C)C2)cn1	ZINC001106894807	885775386	/nfs/dbraw/zinc/77/53/86/885775386.db2.gz	VXNZUQNTNUBKME-NVXWUHKLSA-N	1	0	351.454	1.337	20	30		FDEDRO
C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1OCC[C@@H]1Cn1cccn1)CC2	ZINC001035238747	885802899	/nfs/dbraw/zinc/80/28/99/885802899.db2.gz	VQGYGASZLXFCPX-QZTJIDSGSA-N	1	0	358.486	1.789	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)NC3=O)C[C@H]1C	ZINC001106895029	885826694	/nfs/dbraw/zinc/82/66/94/885826694.db2.gz	BVHUGDJRCLQVIC-ZWNOBZJWSA-N	1	0	361.829	1.620	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](OCC)C2CCCC2)[C@@H](n2ccnn2)C1	ZINC001129147508	885874048	/nfs/dbraw/zinc/87/40/48/885874048.db2.gz	CILKBKKNQFPERY-FGTMMUONSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2ccc(C)n2)[C@@H](n2ccnn2)C1	ZINC001129147699	885876662	/nfs/dbraw/zinc/87/66/62/885876662.db2.gz	MFGCVFXWUHGVFB-KSZLIROESA-N	1	0	371.489	1.742	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)CCOCCNc2cccc(F)c2C#N)CC[N@@H+]1C	ZINC001127504967	885887906	/nfs/dbraw/zinc/88/79/06/885887906.db2.gz	HRZYNDXUMJHSBC-HUUCEWRRSA-N	1	0	362.449	1.924	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](OCC)C2CC2)C[C@@H]1n1ccnn1	ZINC001129159081	885890812	/nfs/dbraw/zinc/89/08/12/885890812.db2.gz	CLFNLKJQRRKUPH-IKGGRYGDSA-N	1	0	361.490	1.647	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N[C@H](C)CCC)[C@H](C)C2)cn1	ZINC001106896880	886140948	/nfs/dbraw/zinc/14/09/48/886140948.db2.gz	USRNOSWDXNAIFJ-JFIYKMOQSA-N	1	0	370.497	1.665	20	30		FDEDRO
CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCO[C@H]1c1ccnn1CC)CC2	ZINC001035725308	886378657	/nfs/dbraw/zinc/37/86/57/886378657.db2.gz	MQPLMXRZTWWMSZ-IEBWSBKVSA-N	1	0	370.497	1.928	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@@H]1n1ccnn1	ZINC001129209215	886565829	/nfs/dbraw/zinc/56/58/29/886565829.db2.gz	FAKMCWSOBVLAJC-KURKYZTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@@H]1n1ccnn1	ZINC001129209518	886568234	/nfs/dbraw/zinc/56/82/34/886568234.db2.gz	IGWVNCBNZPKRQZ-BBWFWOEESA-N	1	0	361.490	1.791	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)CC1(C#N)CCCC1)C2	ZINC000920275469	886803616	/nfs/dbraw/zinc/80/36/16/886803616.db2.gz	RZGGNTFJTDAPKI-XLMAVXFVSA-N	1	0	369.531	1.469	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(C#N)s1)C2	ZINC000920275791	886804847	/nfs/dbraw/zinc/80/48/47/886804847.db2.gz	UNDJOIOBKAGPGL-XOUADPBQSA-N	1	0	369.512	1.378	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)CCC[NH+](C)C	ZINC001062239969	886996420	/nfs/dbraw/zinc/99/64/20/886996420.db2.gz	AUBHKIVCQVKSKG-KURKYZTESA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCN1C(=O)CC[N@@H+](C)CCC	ZINC001062291681	887040823	/nfs/dbraw/zinc/04/08/23/887040823.db2.gz	GGJHLDPNQSDVMS-KURKYZTESA-N	1	0	365.518	1.807	20	30		FDEDRO
O=C(Cc1cnoc1)N[C@@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@H]1O	ZINC001077555361	887129456	/nfs/dbraw/zinc/12/94/56/887129456.db2.gz	LIUKFKFOVQXEBT-IAGOWNOFSA-N	1	0	359.813	1.084	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCc2ccn(-c3ccc(F)cc3)n2)CC1	ZINC000920675609	887158215	/nfs/dbraw/zinc/15/82/15/887158215.db2.gz	WHBVSOBLMNUWAL-UHFFFAOYSA-N	1	0	369.444	1.951	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)NCc1cc(C#N)ccc1F)C2	ZINC000920675491	887158890	/nfs/dbraw/zinc/15/88/90/887158890.db2.gz	SRXIXKMHWCEORL-FTEYMNFISA-N	1	0	374.460	1.976	20	30		FDEDRO
Cn1nc(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1OC(F)F	ZINC000330257398	887232792	/nfs/dbraw/zinc/23/27/92/887232792.db2.gz	QQERLJCEKVLZSJ-LLVKDONJSA-N	1	0	373.404	1.848	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccccc2CS(C)(=O)=O)CC1	ZINC000921328875	887688975	/nfs/dbraw/zinc/68/89/75/887688975.db2.gz	IQVRGJQXIWOVOY-UHFFFAOYSA-N	1	0	363.483	1.128	20	30		FDEDRO
COC(=O)/C(C)=C\CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000923090721	888001711	/nfs/dbraw/zinc/00/17/11/888001711.db2.gz	DQOPYBJITNPXGD-UUASQNMZSA-N	1	0	370.453	1.941	20	30		FDEDRO
C[NH+](C)CCCS(=O)(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1	ZINC000921454002	888019954	/nfs/dbraw/zinc/01/99/54/888019954.db2.gz	ZRSRPKRYIYBOQH-OAHLLOKOSA-N	1	0	351.476	1.111	20	30		FDEDRO
C=C(C)COCCNC(=O)N[C@@H]1C[C@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O	ZINC000921480436	888053597	/nfs/dbraw/zinc/05/35/97/888053597.db2.gz	JHTMUULRINPXBK-YWTNHNAXSA-N	1	0	353.507	1.748	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCc3c2cccc3F)C[C@H]1OC	ZINC001212257842	888072109	/nfs/dbraw/zinc/07/21/09/888072109.db2.gz	JKXYGQVRQLNTNG-CEXWTWQISA-N	1	0	360.429	1.668	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCC(F)(F)C2)C[C@H]1OC	ZINC001212262734	888172732	/nfs/dbraw/zinc/17/27/32/888172732.db2.gz	XNXZINJOHONWKL-ARFHVFGLSA-N	1	0	358.429	1.667	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1OC	ZINC001212264751	888262566	/nfs/dbraw/zinc/26/25/66/888262566.db2.gz	QUUBECNNYLIXRJ-NIKGAXFTSA-N	1	0	355.438	1.522	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@@H]2CC[N@@H+](C)C2)c1	ZINC001005971369	888296834	/nfs/dbraw/zinc/29/68/34/888296834.db2.gz	FVHYFCAEWMHVFI-AITUJVMLSA-N	1	0	366.465	1.266	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(C(F)F)c2)C[C@H]1C	ZINC001106903889	888345879	/nfs/dbraw/zinc/34/58/79/888345879.db2.gz	OTTKHGVTSHNANP-CZUORRHYSA-N	1	0	363.408	1.671	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)CC2)CC1	ZINC000946882303	888678066	/nfs/dbraw/zinc/67/80/66/888678066.db2.gz	KZLUERBQPACTEA-RBUKOAKNSA-N	1	0	357.498	1.485	20	30		FDEDRO
C#CCN(C(=O)NC[C@@H]1CCO[C@H]1c1nccn1CC)C1CC[NH+](C)CC1	ZINC000923273359	888696861	/nfs/dbraw/zinc/69/68/61/888696861.db2.gz	FTEAFVFYOLSCRN-FUHWJXTLSA-N	1	0	373.501	1.720	20	30		FDEDRO
C=CCN1CC[C@H]([NH+]2CCC(N(C)C(=O)[C@@H]3CCO[C@H]3C=C)CC2)C1=O	ZINC001006021203	888757962	/nfs/dbraw/zinc/75/79/62/888757962.db2.gz	BUBDWYKPJOOEJS-SQNIBIBYSA-N	1	0	361.486	1.287	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](CCCN2CCCC2=O)CC1	ZINC001006021912	888758582	/nfs/dbraw/zinc/75/85/82/888758582.db2.gz	IWPCDONVNPRDEX-MSOLQXFVSA-N	1	0	363.502	1.513	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2n[nH]c(=O)c3ccccc32)C[C@H]1C	ZINC001106905919	888792899	/nfs/dbraw/zinc/79/28/99/888792899.db2.gz	NHBJHQASYXIGFR-HUUCEWRRSA-N	1	0	370.453	1.836	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2n[nH]c(=O)c3ccccc32)C[C@H]1C	ZINC001106906061	888820030	/nfs/dbraw/zinc/82/00/30/888820030.db2.gz	VKKGTSNORCFKHO-HUUCEWRRSA-N	1	0	368.437	1.283	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H](C)OCCCCCC)[C@H](OC)C1	ZINC001212271596	888938853	/nfs/dbraw/zinc/93/88/53/888938853.db2.gz	BQTXEAVQPSKKAK-RCCFBDPRSA-N	1	0	356.507	1.990	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cccc3scnc32)[C@H](OC)C1	ZINC001212272488	888953961	/nfs/dbraw/zinc/95/39/61/888953961.db2.gz	RZECRGZXLVZCSZ-HUUCEWRRSA-N	1	0	361.467	1.928	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccc(N3CCCNC3=O)cc2)CC1	ZINC000923343875	888965267	/nfs/dbraw/zinc/96/52/67/888965267.db2.gz	BYCHNPSYFMXWOF-UHFFFAOYSA-N	1	0	369.469	1.503	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[NH+]2CCC(c3nnc4n3CCNC4)CC2)cc1	ZINC000923369179	889024784	/nfs/dbraw/zinc/02/47/84/889024784.db2.gz	XMEGDBAHWDLNGQ-KRWDZBQOSA-N	1	0	352.442	1.166	20	30		FDEDRO
CCC[N@H+](C)C[C@@H]1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1	ZINC000245563802	889025771	/nfs/dbraw/zinc/02/57/71/889025771.db2.gz	QDCJQGAPNPEZGZ-RBUKOAKNSA-N	1	0	363.550	1.342	20	30		FDEDRO
CC1(C)CC[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)[N@H+](Cc2cccc(C#N)c2)C1	ZINC001089695275	889132875	/nfs/dbraw/zinc/13/28/75/889132875.db2.gz	HFTMSPVIHWXKKS-KSZLIROESA-N	1	0	368.481	1.786	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCN(C)S1(=O)=O)C2	ZINC001112543550	889361215	/nfs/dbraw/zinc/36/12/15/889361215.db2.gz	HMUJCMSTDMFPCP-JZXOWHBKSA-N	1	0	369.531	1.205	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N[C@@H]1C[C@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O	ZINC000923487829	889415115	/nfs/dbraw/zinc/41/51/15/889415115.db2.gz	NYFARCBQUSXRKR-ZQOJQMTGSA-N	1	0	351.491	1.194	20	30		FDEDRO
C[C@@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)c1nnc2n1CCCC2	ZINC000330207749	889490151	/nfs/dbraw/zinc/49/01/51/889490151.db2.gz	GFPHXLHLQWZEEK-CYBMUJFWSA-N	1	0	372.477	2.165	20	30		FDEDRO
CCC[N@@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)C[C@H]1CCCCO1	ZINC000246120013	889507797	/nfs/dbraw/zinc/50/77/97/889507797.db2.gz	QMYIMSSGSIXQRB-RTBURBONSA-N	1	0	364.534	1.960	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]Cc1cc(-c2cnn(C)c2)no1	ZINC001127605207	889512685	/nfs/dbraw/zinc/51/26/85/889512685.db2.gz	ULMCXIPSSSAYDF-WBVHZDCISA-N	1	0	359.430	1.262	20	30		FDEDRO
C[C@@H](Nc1ccn(C2CC[NH+](C)CC2)n1)C(=O)Nc1ccccc1C#N	ZINC000377503044	889584893	/nfs/dbraw/zinc/58/48/93/889584893.db2.gz	QFONMJFCBKRJKT-CQSZACIVSA-N	1	0	352.442	2.461	20	30		FDEDRO
CCCn1cc(C(=O)N[C@@H]2CN(Cc3cccc(C#N)c3)C[C@@H]2O)c(C)n1	ZINC001083888723	889692525	/nfs/dbraw/zinc/69/25/25/889692525.db2.gz	OTBXCNFHBJYIPA-MOPGFXCFSA-N	1	0	367.453	1.448	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)C1CCC(C)CC1	ZINC001127608686	889723683	/nfs/dbraw/zinc/72/36/83/889723683.db2.gz	CJYBBLCNUBXMOM-HIEASXQVSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCCN(c2ccccc2)C1=O	ZINC001127608779	889726946	/nfs/dbraw/zinc/72/69/46/889726946.db2.gz	GUNNODHXUHRBJW-QRVBRYPASA-N	1	0	371.481	1.869	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1	ZINC000946916403	889731462	/nfs/dbraw/zinc/73/14/62/889731462.db2.gz	XNRZOZRZUAQKCL-MLHJIOFPSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)N[C@@H](C)CCC(C)C	ZINC001127612786	889870998	/nfs/dbraw/zinc/87/09/98/889870998.db2.gz	DCFAQZSCWBGIOP-BBWFWOEESA-N	1	0	353.507	1.614	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)[C@@H](c2ccccc2F)N2CCOCC2)C1	ZINC000923573223	889904849	/nfs/dbraw/zinc/90/48/49/889904849.db2.gz	KLJIZIJFXZGUKI-VQIMIIECSA-N	1	0	359.445	1.413	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N2Cc2ccc(C)cc2)C1	ZINC000923573278	889904909	/nfs/dbraw/zinc/90/49/09/889904909.db2.gz	OCLSPGCCGOAMQY-RTBURBONSA-N	1	0	353.466	1.700	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)c1ccc(F)cc1F	ZINC001127613121	889938841	/nfs/dbraw/zinc/93/88/41/889938841.db2.gz	QKXRFMNSPNTBQY-PVAVHDDUSA-N	1	0	354.397	1.685	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1n1ccnn1	ZINC001129288975	890066592	/nfs/dbraw/zinc/06/65/92/890066592.db2.gz	NDRMYNSKLYLSOY-ZACQAIPSSA-N	1	0	361.490	1.649	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cn(CC)nc2C)[C@@H](n2ccnn2)C1	ZINC001129288531	890069352	/nfs/dbraw/zinc/06/93/52/890069352.db2.gz	FEVYMBUHKOTCCS-SJORKVTESA-N	1	0	357.462	1.424	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3cc(C)co3)C2)CC1	ZINC000939171359	890163470	/nfs/dbraw/zinc/16/34/70/890163470.db2.gz	BLBWGYLEEKEVCJ-NVXWUHKLSA-N	1	0	357.454	1.510	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3CCC3(C)C)C2)CC1	ZINC000939180862	890167527	/nfs/dbraw/zinc/16/75/27/890167527.db2.gz	ZMGIOZYUDWOHNL-KBAYOESNSA-N	1	0	359.514	1.731	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]1OC	ZINC001212332836	890221815	/nfs/dbraw/zinc/22/18/15/890221815.db2.gz	MSUAXKIZPKDHDK-BRWVUGGUSA-N	1	0	356.507	1.438	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1(NC(=O)[C@H]2CCC[N@H+]2C)CCC1	ZINC001063187917	890284226	/nfs/dbraw/zinc/28/42/26/890284226.db2.gz	YYFQUSUSQUQJSC-BBWFWOEESA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1	ZINC001063216703	890315143	/nfs/dbraw/zinc/31/51/43/890315143.db2.gz	GGWGQPPAFCPJKD-VQHPVUNQSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCCO2)C[C@H]1OC	ZINC001212340341	890435877	/nfs/dbraw/zinc/43/58/77/890435877.db2.gz	KDXOXEBVIPYHLP-KZNAEPCWSA-N	1	0	368.518	1.990	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCCO2)C[C@H]1OC	ZINC001212340343	890436668	/nfs/dbraw/zinc/43/66/68/890436668.db2.gz	KDXOXEBVIPYHLP-RCCFBDPRSA-N	1	0	368.518	1.990	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1(CNC(=O)C(C)(C)[N@@H+](C)CC)CCC1	ZINC001063451156	890546174	/nfs/dbraw/zinc/54/61/74/890546174.db2.gz	NKQMYEBCTKDNJE-CVEARBPZSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCc2cc(OC)no2)[C@H](OC)C1	ZINC001212342637	890680672	/nfs/dbraw/zinc/68/06/72/890680672.db2.gz	KFROXTGEDQPQFN-NUEKZKHPSA-N	1	0	351.447	1.786	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1	ZINC000939757490	891232231	/nfs/dbraw/zinc/23/22/31/891232231.db2.gz	PCJMBFZMTQOSNE-KURKYZTESA-N	1	0	363.502	1.369	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(C#N)c[nH]2)C3)C1	ZINC001001891670	891573449	/nfs/dbraw/zinc/57/34/49/891573449.db2.gz	VPOZDUQZZPUHLW-MMTVNHQJSA-N	1	0	355.442	1.090	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@]23CC[N@H+](C2)CCC3)c1	ZINC001001898040	891585827	/nfs/dbraw/zinc/58/58/27/891585827.db2.gz	XPTGFSZHVIJJTI-UOSKARGWSA-N	1	0	367.453	1.234	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2C)c1	ZINC000940012086	891631737	/nfs/dbraw/zinc/63/17/37/891631737.db2.gz	HBJLHJILYNQNPP-RDTXWAMCSA-N	1	0	354.454	1.124	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C#N)c[nH]1)C2	ZINC001001906023	891640470	/nfs/dbraw/zinc/64/04/70/891640470.db2.gz	XRPVBJUTUPBJHD-LMSBXDPUSA-N	1	0	369.469	1.622	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H](CC)[NH+](C)C)C1	ZINC001002143960	891985019	/nfs/dbraw/zinc/98/50/19/891985019.db2.gz	VZXNABYMQMTBOS-BBWFWOEESA-N	1	0	351.491	1.273	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001002247066	892325714	/nfs/dbraw/zinc/32/57/14/892325714.db2.gz	YJLQRECRQJGVEX-BGTYHANMSA-N	1	0	363.502	1.273	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1	ZINC000940407452	892401361	/nfs/dbraw/zinc/40/13/61/892401361.db2.gz	DVHZIRXTVMOYQW-AOIWGVFYSA-N	1	0	363.502	1.417	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cn[nH]c4)[C@@H]3C2)cc1	ZINC001084206897	913659573	/nfs/dbraw/zinc/65/95/73/913659573.db2.gz	ZSXSNHCTOUOVTM-CRAIPNDOSA-N	1	0	351.410	1.659	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)COCCCCCC)C[C@H]1C	ZINC001106919815	892471247	/nfs/dbraw/zinc/47/12/47/892471247.db2.gz	DIYBUELYSWWBQM-KZNAEPCWSA-N	1	0	365.518	1.405	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NCC=C)[C@H](C)C1	ZINC001106923017	892598902	/nfs/dbraw/zinc/59/89/02/892598902.db2.gz	XYUNAUFEFXSTPQ-MBOZVWFJSA-N	1	0	367.493	1.585	20	30		FDEDRO
N#CCCc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)cc1	ZINC000921910864	892749086	/nfs/dbraw/zinc/74/90/86/892749086.db2.gz	GUOSOODDZVZQGS-KRWDZBQOSA-N	1	0	363.483	1.674	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000921932373	893054696	/nfs/dbraw/zinc/05/46/96/893054696.db2.gz	FNZDBNCYCWPKEA-OAHLLOKOSA-N	1	0	364.490	1.640	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(F)cc2)C[C@H]1C	ZINC001106940330	893123532	/nfs/dbraw/zinc/12/35/32/893123532.db2.gz	LICALUAVXLDILU-BFYDXBDKSA-N	1	0	359.445	1.190	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2C[C@@H](OCC)C2(C)C)CC1	ZINC000672356272	893172082	/nfs/dbraw/zinc/17/20/82/893172082.db2.gz	RLSLVYGGLBTSMR-DLBZAZTESA-N	1	0	365.518	1.805	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(F)cc2F)C[C@H]1C	ZINC001106940625	893182660	/nfs/dbraw/zinc/18/26/60/893182660.db2.gz	ZCKUBJHWVHFXPO-MGPQQGTHSA-N	1	0	365.424	1.953	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccccc2F)C[C@H]1C	ZINC001106942448	893288479	/nfs/dbraw/zinc/28/84/79/893288479.db2.gz	KUWZTZADAPNDDW-HLLBOEOZSA-N	1	0	361.461	1.743	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCOC4)[C@@H]3C2)cc1	ZINC001084222608	913752718	/nfs/dbraw/zinc/75/27/18/913752718.db2.gz	CJJIWEZCCUGOFY-ZIFCJYIRSA-N	1	0	355.438	1.658	20	30		FDEDRO
CCc1ccccc1OCC(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1	ZINC001106946151	893606696	/nfs/dbraw/zinc/60/66/96/893606696.db2.gz	OMKQHFCQUQGESA-IEBWSBKVSA-N	1	0	358.482	1.962	20	30		FDEDRO
C=C[C@H]1CCCCN1C(=O)C(=O)NCc1ccccc1OCC[NH+](C)C	ZINC001117121306	893610826	/nfs/dbraw/zinc/61/08/26/893610826.db2.gz	CUFMNZDWKKBEAJ-KRWDZBQOSA-N	1	0	359.470	1.810	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)C[C@H]1C	ZINC001106949255	893896639	/nfs/dbraw/zinc/89/66/39/893896639.db2.gz	WEFRNYDDKRKSTM-QLFBSQMISA-N	1	0	364.490	1.356	20	30		FDEDRO
Cc1cc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)n1	ZINC001084293362	913840672	/nfs/dbraw/zinc/84/06/72/913840672.db2.gz	CJJUORHRJPTDPR-CRAIPNDOSA-N	1	0	352.442	1.546	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCN(C(=O)C[N@@H+](C)C2CCC2)CC1	ZINC000941202769	894194038	/nfs/dbraw/zinc/19/40/38/894194038.db2.gz	RMXKLHAQDFPWQM-HKUYNNGSSA-N	1	0	363.502	1.513	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000672638362	894352143	/nfs/dbraw/zinc/35/21/43/894352143.db2.gz	PDJVSYBZHZEXHV-KRWDZBQOSA-N	1	0	364.534	1.476	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2cccc(F)c2)C[C@H]1C	ZINC001106952885	894363957	/nfs/dbraw/zinc/36/39/57/894363957.db2.gz	FFOSJKBPYOPNCD-HLLBOEOZSA-N	1	0	359.445	1.190	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(Cl)nc2ccccn21	ZINC000922023404	894422122	/nfs/dbraw/zinc/42/21/22/894422122.db2.gz	JFYDBNDILXKTSK-UHFFFAOYSA-N	1	0	366.874	1.706	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccccc2Cl)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106953072	894442871	/nfs/dbraw/zinc/44/28/71/894442871.db2.gz	OGYDCRJVLKZIDZ-UKRRQHHQSA-N	1	0	362.861	1.206	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1C(=O)OCC	ZINC000922022233	894483939	/nfs/dbraw/zinc/48/39/39/894483939.db2.gz	JTSHVOHAIVXNPZ-UHFFFAOYSA-N	1	0	364.467	1.581	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F	ZINC000922022395	894509863	/nfs/dbraw/zinc/50/98/63/894509863.db2.gz	LWDMWQOAUBUYAH-UHFFFAOYSA-N	1	0	369.418	1.760	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1ccccc1C(=O)OC	ZINC000922024897	894517385	/nfs/dbraw/zinc/51/73/85/894517385.db2.gz	UECKELQCBJZRMG-UHFFFAOYSA-N	1	0	364.467	1.332	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1cc(F)ccc1OC	ZINC000922026227	894540540	/nfs/dbraw/zinc/54/05/40/894540540.db2.gz	RMNHJRPVZPVKIM-UHFFFAOYSA-N	1	0	354.447	1.694	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](C[C@H]2CCNC(=O)CC2)CC1	ZINC001002846074	894572316	/nfs/dbraw/zinc/57/23/16/894572316.db2.gz	ADVYUFIMKABIMJ-NXHRZFHOSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccc(OCC=C)cc2)[C@H](OC)C1	ZINC001212471772	894708652	/nfs/dbraw/zinc/70/86/52/894708652.db2.gz	BZMJDSBEHSDBLG-RTBURBONSA-N	1	0	360.454	1.883	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1	ZINC000941319865	894752199	/nfs/dbraw/zinc/75/21/99/894752199.db2.gz	IHFVWTORASERCS-KURKYZTESA-N	1	0	363.502	1.513	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)c(C)s2)C[C@H]1C	ZINC001106960830	895838994	/nfs/dbraw/zinc/83/89/94/895838994.db2.gz	HZQYKAAWKADONN-IIAWOOMASA-N	1	0	361.511	1.801	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(CC)c(C)s2)C[C@H]1C	ZINC001106960872	895839042	/nfs/dbraw/zinc/83/90/42/895839042.db2.gz	KZQMRDMMXOUDTM-CZUORRHYSA-N	1	0	361.511	1.666	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@H]1CCc2ccccc2C1)=[NH+]C1CCOCC1	ZINC000080864800	895859095	/nfs/dbraw/zinc/85/90/95/895859095.db2.gz	SHYYQPVYPRVPLZ-SFHVURJKSA-N	1	0	358.486	1.346	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cn1	ZINC000941883393	895920370	/nfs/dbraw/zinc/92/03/70/895920370.db2.gz	ORMZAYDNAQQGNE-FGTMMUONSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H](OC)C1	ZINC000942013093	896135174	/nfs/dbraw/zinc/13/51/74/896135174.db2.gz	JHENWCYZFRGXPY-YLFCFFPRSA-N	1	0	365.518	1.661	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1nc2ccccc2n1C1CC1	ZINC000183835628	896575770	/nfs/dbraw/zinc/57/57/70/896575770.db2.gz	SCRZRTJMTSROAG-UHFFFAOYSA-N	1	0	356.474	1.368	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC000671103611	896621190	/nfs/dbraw/zinc/62/11/90/896621190.db2.gz	MXWCLVWMOVQOII-DLBZAZTESA-N	1	0	357.454	1.611	20	30		FDEDRO
C=CC[N@@H+]1C[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC2(CCOCC2)C1	ZINC001089947852	896814503	/nfs/dbraw/zinc/81/45/03/896814503.db2.gz	QCXDHQQTUOLLOW-XWTMOSNGSA-N	1	0	364.486	1.211	20	30		FDEDRO
COCCc1nc(C)c([C@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)s1	ZINC001116460910	896826485	/nfs/dbraw/zinc/82/64/85/896826485.db2.gz	ATIDHSWSVKBGPJ-NRYCMEERSA-N	1	0	364.471	1.817	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2cccs2)C[C@H]1C	ZINC001106969435	896913731	/nfs/dbraw/zinc/91/37/31/896913731.db2.gz	ZXWODNDOPLEMIE-BZUAXINKSA-N	1	0	361.511	1.503	20	30		FDEDRO
C=CCCC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@]34C[C@H]3COC4)C2)n1	ZINC001128106590	896959556	/nfs/dbraw/zinc/95/95/56/896959556.db2.gz	AABZSLQOWVKNRG-CDXJDZJCSA-N	1	0	370.497	1.869	20	30		FDEDRO
C#CCC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@H]3OCC[C@H]3CC)C2)n1	ZINC001128107672	896970431	/nfs/dbraw/zinc/97/04/31/896970431.db2.gz	XRUKVLIETFFZFB-KPFFTGBYSA-N	1	0	370.497	1.705	20	30		FDEDRO
C#CC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)C[C@@H]3C[C@H]3C3CC3)C2)n1	ZINC001128112703	897184640	/nfs/dbraw/zinc/18/46/40/897184640.db2.gz	MAKWHPZURUQKEY-WDSOQIARSA-N	1	0	352.482	1.936	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)COCc2ccccc2)C[C@H]1C	ZINC001106974457	897263918	/nfs/dbraw/zinc/26/39/18/897263918.db2.gz	MLCDZIZLRXEBAZ-ZHALLVOQSA-N	1	0	371.481	1.025	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)COCc2ccccc2)C[C@H]1C	ZINC001106974458	897264594	/nfs/dbraw/zinc/26/45/94/897264594.db2.gz	MLCDZIZLRXEBAZ-ZIFCJYIRSA-N	1	0	371.481	1.025	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC2(CCOCC2)C1	ZINC001089957766	897277562	/nfs/dbraw/zinc/27/75/62/897277562.db2.gz	QQICSIHOYQZJPJ-GBESFXJTSA-N	1	0	370.497	1.534	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)NC1CCC(C)([NH+]2CCC2)CC1	ZINC000921719859	897317089	/nfs/dbraw/zinc/31/70/89/897317089.db2.gz	VLHQMOPPGIYPOG-UHFFFAOYSA-N	1	0	358.508	1.090	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CCCc2nc(CC)no2)C[C@H]1C	ZINC001106978987	897346618	/nfs/dbraw/zinc/34/66/18/897346618.db2.gz	WLSASXWSIYNXHY-HZPDHXFCSA-N	1	0	364.490	1.841	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](C[C@@H]2CCNC(=O)CC2)C1	ZINC001032040394	897582410	/nfs/dbraw/zinc/58/24/10/897582410.db2.gz	ALYQOKBPFBOHKX-IEZWGBDMSA-N	1	0	363.502	1.322	20	30		FDEDRO
CC[C@H](C(=O)N1CC[C@@]2(CNC(=O)c3ccc(C#N)[nH]3)CCC[C@@H]12)[NH+](C)C	ZINC000995268083	897654818	/nfs/dbraw/zinc/65/48/18/897654818.db2.gz	QQFBIFLZGROMEP-MBOZVWFJSA-N	1	0	371.485	1.728	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CC2CC3(CCC3)C2)C[C@H]1O	ZINC001078028021	897656822	/nfs/dbraw/zinc/65/68/22/897656822.db2.gz	VESKABKWZIUOBQ-QZTJIDSGSA-N	1	0	369.465	1.449	20	30		FDEDRO
N#CCN1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1	ZINC000995269977	897674564	/nfs/dbraw/zinc/67/45/64/897674564.db2.gz	ZNMVRCSAUCYHOF-KZNAEPCWSA-N	1	0	364.453	1.782	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(C)nc2)C[C@H]1C	ZINC001106988833	897721558	/nfs/dbraw/zinc/72/15/58/897721558.db2.gz	ULEJNWDYRKMDFT-QGPMSJSTSA-N	1	0	358.486	1.307	20	30		FDEDRO
CCn1cc(Cl)cc1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106989941	897795984	/nfs/dbraw/zinc/79/59/84/897795984.db2.gz	YLJWMNSTVYTTCC-CHWSQXEVSA-N	1	0	365.865	1.099	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1	ZINC000942811196	897825156	/nfs/dbraw/zinc/82/51/56/897825156.db2.gz	LVHRQHDRYRRFBX-KSZLIROESA-N	1	0	363.502	1.513	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2nccn2C)C1	ZINC001078402846	898736753	/nfs/dbraw/zinc/73/67/53/898736753.db2.gz	ZAGYCAHZFCMIGE-ZACQAIPSSA-N	1	0	362.474	1.108	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@]2(CNC(=O)C34CCC[NH+]3CCC4)CCC[C@@H]12	ZINC000995343774	898767685	/nfs/dbraw/zinc/76/76/85/898767685.db2.gz	KQYXVAQLTDJUGK-FRQCXROJSA-N	1	0	358.486	1.662	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cn(C)nc2C)C1	ZINC001078472206	898802659	/nfs/dbraw/zinc/80/26/59/898802659.db2.gz	QPRJUUDXEVPUJK-KSZLIROESA-N	1	0	362.474	1.027	20	30		FDEDRO
C[C@@H]1CCO[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(C#N)s2)C1	ZINC001078472542	898803361	/nfs/dbraw/zinc/80/33/61/898803361.db2.gz	ZUSVYLMTUDXAHY-CPUCHLNUSA-N	1	0	363.483	1.752	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cnc(C)o2)C1	ZINC001078484528	898835068	/nfs/dbraw/zinc/83/50/68/898835068.db2.gz	LYMPPVSGBUTQLR-SQNIBIBYSA-N	1	0	363.458	1.671	20	30		FDEDRO
N#Cc1cccc(CN2C[C@@H](NC(=O)c3ccncc3Cl)[C@@H](O)C2)c1	ZINC001083806210	899060438	/nfs/dbraw/zinc/06/04/38/899060438.db2.gz	XVPDJXQDTMPZRM-SJORKVTESA-N	1	0	356.813	1.582	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CCNC(=O)c2cnccn2)C[C@H]1C	ZINC001107001381	899073249	/nfs/dbraw/zinc/07/32/49/899073249.db2.gz	QKYSBBCPJZXRMM-TZMCWYRMSA-N	1	0	365.865	1.033	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CNc3cc(C)ncc3C#N)C2)CC[N@@H+]1C	ZINC001061014097	899092681	/nfs/dbraw/zinc/09/26/81/899092681.db2.gz	GQSOPDYXWKUBAG-HHXXYDBFSA-N	1	0	355.486	1.674	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1	ZINC000943732090	899281132	/nfs/dbraw/zinc/28/11/32/899281132.db2.gz	HIXKXJSHOCRCDB-TVFCKZIOSA-N	1	0	363.502	1.463	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1	ZINC000465875100	899360323	/nfs/dbraw/zinc/36/03/23/899360323.db2.gz	ZGPLIIWCTZJUOE-UHFFFAOYSA-N	1	0	372.469	1.881	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)c2cccc(F)c2)C[C@H]1C	ZINC001107007432	899413004	/nfs/dbraw/zinc/41/30/04/899413004.db2.gz	ZAEZSEGNNAGQDU-HLLBOEOZSA-N	1	0	359.445	1.363	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2Cc3cccc(F)c3O2)C[C@H]1C	ZINC001107008746	899454737	/nfs/dbraw/zinc/45/47/37/899454737.db2.gz	XQLGGDFDVRKWHF-KYJSFNMBSA-N	1	0	360.429	1.463	20	30		FDEDRO
C[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001107012589	899537790	/nfs/dbraw/zinc/53/77/90/899537790.db2.gz	WFHRCYCYFJSOKC-JFIYKMOQSA-N	1	0	356.470	1.189	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3nnc(C)n3C2)C[C@H]1C	ZINC001107022217	899605220	/nfs/dbraw/zinc/60/52/20/899605220.db2.gz	KHHTUYUNKMGXBA-BYCMXARLSA-N	1	0	351.882	1.586	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2CNC(=O)[C@@H]2C[C@H]2CCC)CC1	ZINC000944072385	899818618	/nfs/dbraw/zinc/81/86/18/899818618.db2.gz	KANASIDIZBVUKZ-GUDVDZBRSA-N	1	0	359.514	1.875	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C	ZINC000944265989	900034936	/nfs/dbraw/zinc/03/49/36/900034936.db2.gz	BCKOQOUJOLSITP-XDNAFOTISA-N	1	0	365.518	1.661	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](c2ccccc2)N(C)C)C[C@H]1C	ZINC001107039472	900075259	/nfs/dbraw/zinc/07/52/59/900075259.db2.gz	SVWGLTPPDAJOIB-RLLQIKCJSA-N	1	0	357.498	1.623	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]Cc2nc(C(F)F)no2)[C@H](C)C1	ZINC001107059210	900314348	/nfs/dbraw/zinc/31/43/48/900314348.db2.gz	XWGHEGNIDQDEFM-VXGBXAGGSA-N	1	0	358.389	1.784	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccccc2)[C@H](C)C1	ZINC001107062540	900373046	/nfs/dbraw/zinc/37/30/46/900373046.db2.gz	MLNGTVGDISYJNT-IXDOHACOSA-N	1	0	359.470	1.900	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCCCC2)[C@H](C)C1	ZINC001107062257	900442327	/nfs/dbraw/zinc/44/23/27/900442327.db2.gz	FSJFFYQZYYIWSQ-BRWVUGGUSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nn(C)cc2Cl)[C@H](C)C1	ZINC001107063099	900448143	/nfs/dbraw/zinc/44/81/43/900448143.db2.gz	BLIJSHZXVCNDCO-MGPQQGTHSA-N	1	0	354.882	1.849	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nc(CC3CC3)no2)[C@H](C)C1	ZINC001107063735	900450757	/nfs/dbraw/zinc/45/07/57/900450757.db2.gz	YSYBLOKRJFJDMW-IJEWVQPXSA-N	1	0	362.474	1.797	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)N(C)C(C)C)[C@H](C)C1	ZINC001107064899	900452288	/nfs/dbraw/zinc/45/22/88/900452288.db2.gz	BSVWNLWSUBEZKR-BRWVUGGUSA-N	1	0	353.507	1.519	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CCn2c(C)csc2=O)[C@H](C)C1	ZINC001107065072	900453889	/nfs/dbraw/zinc/45/38/89/900453889.db2.gz	DYJHZQKBTFJCNC-VNQPRFMTSA-N	1	0	367.515	1.493	20	30		FDEDRO
Cc1ccccc1C1(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)CC1	ZINC001107083501	900662241	/nfs/dbraw/zinc/66/22/41/900662241.db2.gz	CDSAPFKXJDFZFH-IAGOWNOFSA-N	1	0	368.481	1.351	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(C)C(C)(C)C2(C)C)C[C@H]1C	ZINC001107094766	900831559	/nfs/dbraw/zinc/83/15/59/900831559.db2.gz	OGGJZLAKZXMRJZ-BZUAXINKSA-N	1	0	361.530	1.881	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc3cccnn32)[C@@H](n2ccnn2)C1	ZINC001129307796	901072701	/nfs/dbraw/zinc/07/27/01/901072701.db2.gz	ORPPNYBNKPFPRW-AEFFLSMTSA-N	1	0	365.441	1.547	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc3n(c2)CCCC3)C[C@H]1C	ZINC001107102991	901148022	/nfs/dbraw/zinc/14/80/22/901148022.db2.gz	AVVMKXKFHBQHRR-SOLBZPMBSA-N	1	0	370.497	1.260	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNC(=O)C[NH+]2CCC(C)CC2)CCC1	ZINC001064200650	901258754	/nfs/dbraw/zinc/25/87/54/901258754.db2.gz	INYVDDRHCYDOLA-SJORKVTESA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccccc2N2CCCC2)CC1	ZINC000671347793	901289150	/nfs/dbraw/zinc/28/91/50/901289150.db2.gz	UOOGYZCPSAMAHD-UHFFFAOYSA-N	1	0	370.497	1.670	20	30		FDEDRO
N#Cc1cnccc1N1C[C@@H]2CCN(C(=O)CCCn3ccnc3)[C@@H]2C1	ZINC001090319510	901667726	/nfs/dbraw/zinc/66/77/26/901667726.db2.gz	LCNJQXDIYLNJSC-MAUKXSAKSA-N	1	0	350.426	1.667	20	30		FDEDRO
C[NH+](C)CCOCC(=O)N1CC[C@H]2CN(c3cccc(F)c3C#N)C[C@H]21	ZINC001090326489	901706900	/nfs/dbraw/zinc/70/69/00/901706900.db2.gz	UNPJIDAXCVPBCZ-KBXCAEBGSA-N	1	0	360.433	1.313	20	30		FDEDRO
CC#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[N@@H+]2C)C1	ZINC001079129800	901936223	/nfs/dbraw/zinc/93/62/23/901936223.db2.gz	HVRIYPWAQPCXPV-VAMGGRTRSA-N	1	0	355.482	1.178	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cc(=O)n(C)o2)C1	ZINC001079132521	901945688	/nfs/dbraw/zinc/94/56/88/901945688.db2.gz	RUECJXLFESEIDG-IAGOWNOFSA-N	1	0	371.437	1.242	20	30		FDEDRO
CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cc(C#N)c[nH]2)C1	ZINC001079132610	901946821	/nfs/dbraw/zinc/94/68/21/901946821.db2.gz	WXAAIPSIBAPKDC-RTBURBONSA-N	1	0	352.438	1.984	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cn(C)c(=O)[nH]2)C1	ZINC001079142585	901950175	/nfs/dbraw/zinc/95/01/75/901950175.db2.gz	JJYVZLPIAHQVCT-QZTJIDSGSA-N	1	0	370.453	1.389	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)CC[C@H]1c1ccc(F)cc1	ZINC001079148367	901975093	/nfs/dbraw/zinc/97/50/93/901975093.db2.gz	OMBMXIVKCZQSDN-DOTOQJQBSA-N	1	0	354.385	1.542	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CN2CCOCC2)CC[C@H]1c1ccc(F)cc1	ZINC001079151195	901984399	/nfs/dbraw/zinc/98/43/99/901984399.db2.gz	FTEBLIPABGUEGS-RBUKOAKNSA-N	1	0	361.461	1.618	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)CC[C@H]1c1ccc(F)cc1	ZINC001079152548	901988545	/nfs/dbraw/zinc/98/85/45/901988545.db2.gz	QTIQGZRMDPSGGV-RYQLBKOJSA-N	1	0	357.429	1.211	20	30		FDEDRO
C=CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001079135949	902004119	/nfs/dbraw/zinc/00/41/19/902004119.db2.gz	XDRIOCCECBWJKI-DOIPELPJSA-N	1	0	371.525	1.977	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(C)ccc2=O)CC[C@H]1c1ccc(F)cc1	ZINC001079154606	902069875	/nfs/dbraw/zinc/06/98/75/902069875.db2.gz	MFKBPDNQIUNZPE-PKOBYXMFSA-N	1	0	367.424	1.746	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)CC[C@H]1c1ccc(F)cc1	ZINC001079157808	902076501	/nfs/dbraw/zinc/07/65/01/902076501.db2.gz	CFUDPUFMWVHFCR-SQGPQFPESA-N	1	0	357.429	1.259	20	30		FDEDRO
C#CC[NH+]1CCC(N2C(=O)N[C@H]3CN(C(=O)[C@]45C[C@H]4CCC5)CC[C@@H]32)CC1	ZINC001079165348	902094496	/nfs/dbraw/zinc/09/44/96/902094496.db2.gz	PIKTWZUGLLRSQM-CNTRQJEFSA-N	1	0	370.497	1.269	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1c1cccc(F)c1	ZINC001079198882	902099558	/nfs/dbraw/zinc/09/95/58/902099558.db2.gz	WUKQBQFKDKVPAT-VSZNYVQBSA-N	1	0	359.445	1.620	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@H]1c1cccc(F)c1	ZINC001079204788	902107461	/nfs/dbraw/zinc/10/74/61/902107461.db2.gz	MKKZFEKFLOWDOW-DOTOQJQBSA-N	1	0	354.385	1.084	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]CCO)C2)cn1	ZINC001079207020	902112772	/nfs/dbraw/zinc/11/27/72/902112772.db2.gz	JTPNJIHZBBNEAW-RBUKOAKNSA-N	1	0	353.397	1.392	20	30		FDEDRO
N#CCN[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1c1cccc(F)c1	ZINC001079183832	902126897	/nfs/dbraw/zinc/12/68/97/902126897.db2.gz	WOPCYJVYQQLOIP-GBESFXJTSA-N	1	0	356.445	1.575	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCCN2CC)C[C@H]1c1cccc(F)c1	ZINC001079189681	902143405	/nfs/dbraw/zinc/14/34/05/902143405.db2.gz	WMWLIBBADWANIA-OTWHNJEPSA-N	1	0	361.461	1.616	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@H]2c2cccc(F)c2)cc1	ZINC001079196534	902160538	/nfs/dbraw/zinc/16/05/38/902160538.db2.gz	UDFZZAWKURZUJY-ZWKOTPCHSA-N	1	0	366.396	1.267	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3oc(C)nc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079231539	902165426	/nfs/dbraw/zinc/16/54/26/902165426.db2.gz	PGNGYRWRLXVZOU-DLBZAZTESA-N	1	0	357.454	1.868	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC3(CC[NH+](CCCF)CC3)[C@H]3COC[C@H]32)c1	ZINC001079233728	902168618	/nfs/dbraw/zinc/16/86/18/902168618.db2.gz	UFUPLHBIMSFIAT-DOTOQJQBSA-N	1	0	360.433	1.799	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCOCC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079239080	902181972	/nfs/dbraw/zinc/18/19/72/902181972.db2.gz	AUDUUMWVSWBELO-GBESFXJTSA-N	1	0	360.498	1.766	20	30		FDEDRO
Cc1ncoc1C[NH+]1CCC2(CN(C(=O)[C@@H](C)C#N)[C@@H]3COC[C@@H]32)CC1	ZINC001079228429	902241949	/nfs/dbraw/zinc/24/19/49/902241949.db2.gz	LZZJUBFFGUDPSF-CWRNSKLLSA-N	1	0	358.442	1.582	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3cn(C)nc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079228418	902242329	/nfs/dbraw/zinc/24/23/29/902242329.db2.gz	LDXGHMUZSBZTEE-ZWKOTPCHSA-N	1	0	358.486	1.858	20	30		FDEDRO
Cc1cc(C[NH+]2CCC3(CN(C(=O)[C@H](C)C#N)[C@@H]4COC[C@@H]43)CC2)on1	ZINC001079228281	902242732	/nfs/dbraw/zinc/24/27/32/902242732.db2.gz	FAKJYRVBOYFBRT-XOKHGSTOSA-N	1	0	358.442	1.582	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)Cn3cc(C4CC4)nn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079245991	902255264	/nfs/dbraw/zinc/25/52/64/902255264.db2.gz	NRFMRWUGZGACRH-FUHWJXTLSA-N	1	0	371.485	1.281	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3c(C)ncn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079246278	902259061	/nfs/dbraw/zinc/25/90/61/902259061.db2.gz	ZOKACUIDJAKSDB-DLBZAZTESA-N	1	0	358.486	1.858	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ccc4cc[nH]c4n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079247021	902260313	/nfs/dbraw/zinc/26/03/13/902260313.db2.gz	GXWISVLDULTSBK-FUHWJXTLSA-N	1	0	364.449	1.749	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)COC3CCCCC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079250213	902268370	/nfs/dbraw/zinc/26/83/70/902268370.db2.gz	RWMVLDCFZXTPCZ-RBUKOAKNSA-N	1	0	360.498	1.908	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cncc(CC)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079251311	902272253	/nfs/dbraw/zinc/27/22/53/902272253.db2.gz	PXXLANDAAMIMFT-RBUKOAKNSA-N	1	0	353.466	1.830	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cn(C(C)C)cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079254321	902279499	/nfs/dbraw/zinc/27/94/99/902279499.db2.gz	WVPKCKRGRFVMIX-FUHWJXTLSA-N	1	0	356.470	1.650	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)[C@H](C)c3cncnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079258065	902290847	/nfs/dbraw/zinc/29/08/47/902290847.db2.gz	LMIYSYYXPHYWNU-NZSAHSFTSA-N	1	0	368.481	1.543	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@H]3Cc4ccncc4C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079259541	902294401	/nfs/dbraw/zinc/29/44/01/902294401.db2.gz	FQYSAHNUBONETK-YSIASYRMSA-N	1	0	365.477	1.369	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCc4nc[nH]c43)[C@@H]3COC[C@@H]32)CC1	ZINC001079260935	902299960	/nfs/dbraw/zinc/29/99/60/902299960.db2.gz	XDEWTIYRSHCLRE-XYJFISCASA-N	1	0	368.481	1.402	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cc(CC)nn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079268251	902321291	/nfs/dbraw/zinc/32/12/91/902321291.db2.gz	VCAXTFDUGDPZJK-PKOBYXMFSA-N	1	0	370.497	1.559	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cnn(C(C)C)c3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079269031	902322377	/nfs/dbraw/zinc/32/23/77/902322377.db2.gz	BQXWCCOAACHCHA-RBUKOAKNSA-N	1	0	370.497	1.959	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)CCc3cnccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269161	902324075	/nfs/dbraw/zinc/32/40/75/902324075.db2.gz	JRKXIDDRHTZKIP-ZWKOTPCHSA-N	1	0	356.470	1.535	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CN(C(=O)Cc3nnc[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269132	902324392	/nfs/dbraw/zinc/32/43/92/902324392.db2.gz	IDHJUOOXPBIIOQ-JKSUJKDBSA-N	1	0	359.474	1.253	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc(C)n(C)c3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079272610	902336490	/nfs/dbraw/zinc/33/64/90/902336490.db2.gz	OZBFOKZSVIOVDS-RBUKOAKNSA-N	1	0	355.482	1.828	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)COCC3)C[C@H]1c1ccccc1F	ZINC001079299417	902343344	/nfs/dbraw/zinc/34/33/44/902343344.db2.gz	PBCBCAXMLSDRIJ-DOTOQJQBSA-N	1	0	370.428	1.936	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCN(C)C(=O)C2)C[C@H]1c1ccccc1F	ZINC001079299500	902345039	/nfs/dbraw/zinc/34/50/39/902345039.db2.gz	UIDJIZNLLBNSHS-QILLFSRXSA-N	1	0	357.429	1.211	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccnc(OC)n2)C[C@H]1c1ccccc1F	ZINC001079302808	902353749	/nfs/dbraw/zinc/35/37/49/902353749.db2.gz	LEPLRFNCFOKLGA-WMLDXEAASA-N	1	0	354.385	1.455	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cn(CC)nn2)C[C@H]1c1ccccc1F	ZINC001079303795	902362700	/nfs/dbraw/zinc/36/27/00/902362700.db2.gz	ALIGGEPGHJSVQJ-FUHWJXTLSA-N	1	0	355.417	1.197	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H](c2ccccc2F)[C@H]([NH2+][C@@H]2CCCNC2=O)C1	ZINC001079295359	902398840	/nfs/dbraw/zinc/39/88/40/902398840.db2.gz	CAZOZWMMZDSZFR-QXAKKESOSA-N	1	0	369.440	1.402	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC(=O)NC2)C[C@H]1c1ccccc1F	ZINC001079298982	902407782	/nfs/dbraw/zinc/40/77/82/902407782.db2.gz	QHLUCNREYZHBOT-UWWQBHOKSA-N	1	0	359.445	1.812	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)cc2)C[C@H]1c1ccccc1F	ZINC001079321005	902422870	/nfs/dbraw/zinc/42/28/70/902422870.db2.gz	WKXYEIHRPYSDAB-PKOBYXMFSA-N	1	0	365.408	1.756	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)cn2)C[C@H]1c1ccccc1F	ZINC001079323723	902427659	/nfs/dbraw/zinc/42/76/59/902427659.db2.gz	ZNQFXCOCHPSOPI-MAUKXSAKSA-N	1	0	366.396	1.151	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cscn2)C3)CC1	ZINC000995901136	902562762	/nfs/dbraw/zinc/56/27/62/902562762.db2.gz	VAVJIUCNSWVRML-VYDXJSESSA-N	1	0	372.494	1.350	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2CC[N@H+](CCCN3CCCC3=O)C[C@H]21	ZINC001084408969	914637642	/nfs/dbraw/zinc/63/76/42/914637642.db2.gz	DJBRGFUAMSDPOR-IEBWSBKVSA-N	1	0	370.497	1.833	20	30		FDEDRO
Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]2C)nn1	ZINC001079678793	903005891	/nfs/dbraw/zinc/00/58/91/903005891.db2.gz	DDADTEZZUDEFSB-AUUYWEPGSA-N	1	0	365.437	1.938	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cnc(N(C)C)cn1	ZINC001079695699	903074155	/nfs/dbraw/zinc/07/41/55/903074155.db2.gz	KGIKSSVCHGAFPY-RDTXWAMCSA-N	1	0	364.453	1.665	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1	ZINC001079720038	903134388	/nfs/dbraw/zinc/13/43/88/903134388.db2.gz	QXLAOJOAJSAUFU-PILAGYSTSA-N	1	0	369.937	1.922	20	30		FDEDRO
C[NH+](C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(C#N)c1)C2)C1CC1	ZINC000996122857	903152961	/nfs/dbraw/zinc/15/29/61/903152961.db2.gz	RGZCEJZJHICIKZ-QZWWFDLISA-N	1	0	355.442	1.088	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2ccoc2)C3)CC1	ZINC000996152423	903232143	/nfs/dbraw/zinc/23/21/43/903232143.db2.gz	FPBPKAAFKGKWSA-QYZOEREBSA-N	1	0	369.465	1.415	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2[nH]ccc2C)C3)CC1	ZINC000996210105	903440811	/nfs/dbraw/zinc/44/08/11/903440811.db2.gz	DJTBNFQGXDHOQK-SQNIBIBYSA-N	1	0	368.481	1.530	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000764094036	903507344	/nfs/dbraw/zinc/50/73/44/903507344.db2.gz	NHPNQGSFCGLYKB-UZLBHIALSA-N	1	0	372.488	1.852	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CC2(F)F)C3)CC1	ZINC000996264117	903590621	/nfs/dbraw/zinc/59/06/21/903590621.db2.gz	RJHLYNASUICQCI-WCVJEAGWSA-N	1	0	365.424	1.235	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCn2nc(C)cc2C)C(C)(C)C1	ZINC000996331192	903711828	/nfs/dbraw/zinc/71/18/28/903711828.db2.gz	PFLHNNNYFGPUMW-FGTMMUONSA-N	1	0	360.502	1.918	20	30		FDEDRO
CCC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1)C(C)C	ZINC001112538886	903711855	/nfs/dbraw/zinc/71/18/55/903711855.db2.gz	ZKAUIDBGCHMNJA-ZWOKBUDYSA-N	1	0	362.518	1.917	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@H]1CCC(=O)NC1	ZINC001080020031	903907089	/nfs/dbraw/zinc/90/70/89/903907089.db2.gz	FBFZOKNORYAXCA-UWWQBHOKSA-N	1	0	370.453	1.052	20	30		FDEDRO
Cc1nnccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1C	ZINC001080050321	903947698	/nfs/dbraw/zinc/94/76/98/903947698.db2.gz	ZVGDBFVTWFYHOS-AUUYWEPGSA-N	1	0	365.437	1.938	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)/C=C\c3ccco3)CCC[C@@H]12	ZINC001107262522	904198171	/nfs/dbraw/zinc/19/81/71/904198171.db2.gz	ZWMXXRWJFIHGGK-CNZSNBMASA-N	1	0	357.454	1.956	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CSC)CCC[C@@H]12	ZINC001107273341	904290229	/nfs/dbraw/zinc/29/02/29/904290229.db2.gz	KIFZLWXTZBRHHG-VQIMIIECSA-N	1	0	365.543	1.911	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc[nH]3)CCC[C@@H]12	ZINC001107274608	904293528	/nfs/dbraw/zinc/29/35/28/904293528.db2.gz	YUHTZYFNPRDDTH-YLJYHZDGSA-N	1	0	371.485	1.751	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccccc3O)CCC[C@@H]12	ZINC001107285296	904295867	/nfs/dbraw/zinc/29/58/67/904295867.db2.gz	QFOPYIMIABRVDN-VQIMIIECSA-N	1	0	356.426	1.006	20	30		FDEDRO
N#CCSCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCN1CCCC1=O)CC2	ZINC001107291312	904365279	/nfs/dbraw/zinc/36/52/79/904365279.db2.gz	UPHKBWWFQKICBH-CRAIPNDOSA-N	1	0	364.515	1.226	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CC3=CCCCC3)CCC[C@@H]12	ZINC001107326792	904482369	/nfs/dbraw/zinc/48/23/69/904482369.db2.gz	GMNIIHUIBIEQFR-WIYYLYMNSA-N	1	0	357.498	1.987	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCc1cccnc1)CC2	ZINC001107329117	904492917	/nfs/dbraw/zinc/49/29/17/904492917.db2.gz	IUTDAGCHRMIURY-WRWLIDTKSA-N	1	0	369.469	1.218	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1(CS(C)(=O)=O)CC1)CC2	ZINC001107335860	904505609	/nfs/dbraw/zinc/50/56/09/904505609.db2.gz	DBNVSZCBJZVKNV-HDMKZQKVSA-N	1	0	367.515	1.332	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)CC(N)=O)CCC[C@@H]23)cc1F	ZINC001107344860	904540133	/nfs/dbraw/zinc/54/01/33/904540133.db2.gz	WFERXHLWFRAEBU-VQIMIIECSA-N	1	0	358.417	1.434	20	30		FDEDRO
N#Cc1ccc(F)c(C[N@@H+]2CC[C@@]3(CNC(=O)CC(N)=O)CCC[C@@H]23)c1	ZINC001107347680	904547654	/nfs/dbraw/zinc/54/76/54/904547654.db2.gz	AOHJXIQGHSAHHK-VQIMIIECSA-N	1	0	358.417	1.434	20	30		FDEDRO
CC(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@@H]1CCNC(=O)CC1)CC2	ZINC001107396889	904710621	/nfs/dbraw/zinc/71/06/21/904710621.db2.gz	MRSAWSDDEJKWFL-WAOWUJCRSA-N	1	0	359.514	1.923	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1	ZINC000764457996	904710719	/nfs/dbraw/zinc/71/07/19/904710719.db2.gz	YTKHSLHUDNAZKF-QGZVFWFLSA-N	1	0	351.878	1.947	20	30		FDEDRO
CC(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@@H](C)CS(C)(=O)=O)CC2	ZINC001107396542	904711429	/nfs/dbraw/zinc/71/14/29/904711429.db2.gz	FCLSWZKBBDXQDK-ZHALLVOQSA-N	1	0	368.543	1.687	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cc(OC)no1)CC2	ZINC001107401959	904737308	/nfs/dbraw/zinc/73/73/08/904737308.db2.gz	HWSJFXUYDAQGTF-ZSZQSSIHSA-N	1	0	361.442	1.582	20	30		FDEDRO
C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cc(C)ncn1)CC2	ZINC001107401755	904782882	/nfs/dbraw/zinc/78/28/82/904782882.db2.gz	BKKNPTHXYOVUKM-YVWKXTFCSA-N	1	0	356.470	1.684	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CN3C(=O)CC(C)(C)C3=O)CCC[C@@H]12	ZINC001107410622	904801694	/nfs/dbraw/zinc/80/16/94/904801694.db2.gz	JANZTIVABUBEJY-FOIQADDNSA-N	1	0	359.470	1.156	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CCCN3C(=O)CCC3=O)CCC[C@@H]12	ZINC001107426196	904846985	/nfs/dbraw/zinc/84/69/85/904846985.db2.gz	IFSXBFLJRSTJSB-OXQOHEQNSA-N	1	0	359.470	1.300	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)CN3CCCS3(=O)=O)CCC[C@@H]12	ZINC001107428986	904863908	/nfs/dbraw/zinc/86/39/08/904863908.db2.gz	OXIIOJIONLOYBH-SJLPKXTDSA-N	1	0	369.531	1.349	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2CC[C@@]3(CNC(=O)Cn4nccn4)CCC[C@@H]23)c1	ZINC001107423095	904874052	/nfs/dbraw/zinc/87/40/52/904874052.db2.gz	WTKCDIUSJBFGSW-UYAOXDASSA-N	1	0	364.453	1.711	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](Cn3cccn3)N(C)C)CCC[C@@H]12	ZINC001107436402	904901689	/nfs/dbraw/zinc/90/16/89/904901689.db2.gz	YKIOXARXTKPMFH-NLWGTHIKSA-N	1	0	359.518	1.750	20	30		FDEDRO
CO[C@@H]1CN(Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001081691850	904938211	/nfs/dbraw/zinc/93/82/11/904938211.db2.gz	URYCEXPFXMJKKB-BYNBJNPRSA-N	1	0	374.460	1.353	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CCN(C)C3=O)CCC[C@@H]12	ZINC001107446477	904956651	/nfs/dbraw/zinc/95/66/51/904956651.db2.gz	JOVLQGUZUVYIBX-SQGPQFPESA-N	1	0	363.502	1.418	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4nccn4C3)CCC[C@@H]12	ZINC001107457394	905023381	/nfs/dbraw/zinc/02/33/81/905023381.db2.gz	RTDZJRZCQYNKPE-WAOWUJCRSA-N	1	0	370.497	1.456	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)CCCCNC(N)=O)CCC[C@@H]12	ZINC001107465049	905032252	/nfs/dbraw/zinc/03/22/52/905032252.db2.gz	HJODRMFRCTUDBP-RHSMWYFYSA-N	1	0	356.898	1.938	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)Cc3cc(C)nn3C)CCC[C@@H]12	ZINC001107470361	905091641	/nfs/dbraw/zinc/09/16/41/905091641.db2.gz	OMJTWBAXNOHTNM-UYAOXDASSA-N	1	0	360.502	1.834	20	30		FDEDRO
CC(C)N1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)C1	ZINC001080325058	905157580	/nfs/dbraw/zinc/15/75/80/905157580.db2.gz	OSTXSAZQAGXRLR-NSISKUIASA-N	1	0	370.497	1.604	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3coc(C(N)=O)c3)CCC[C@@H]12	ZINC001107485388	905161874	/nfs/dbraw/zinc/16/18/74/905161874.db2.gz	YSDIRMRHGLQUFG-VQIMIIECSA-N	1	0	359.426	1.003	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3CCC(=O)N3C)C2)cc1C#N	ZINC001080314746	905193109	/nfs/dbraw/zinc/19/31/09/905193109.db2.gz	RJFKPHBAEYVILN-KBRIMQKVSA-N	1	0	370.453	1.124	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2	ZINC001107488518	905210476	/nfs/dbraw/zinc/21/04/76/905210476.db2.gz	LSBIMJBOKGNRFW-MISYRCLQSA-N	1	0	368.518	1.585	20	30		FDEDRO
CC#CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCN1CCNC1=O)CC2	ZINC001107513294	905279153	/nfs/dbraw/zinc/27/91/53/905279153.db2.gz	YHHSWYPGOXNPHD-YLJYHZDGSA-N	1	0	360.502	1.566	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCN1CCNC1=O)CC2	ZINC001107514425	905307786	/nfs/dbraw/zinc/30/77/86/905307786.db2.gz	GIWBRHLTZICKHA-MBOZVWFJSA-N	1	0	362.518	1.975	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)c3cncnc3)CCC[C@@H]12	ZINC001107519766	905339405	/nfs/dbraw/zinc/33/94/05/905339405.db2.gz	RRDDYWOHIXEZSH-XAUMDUMWSA-N	1	0	371.485	1.243	20	30		FDEDRO
C=CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCNS(=O)(=O)CC)CC2	ZINC001107524055	905361663	/nfs/dbraw/zinc/36/16/63/905361663.db2.gz	FSQXAEOTDZJIHB-SJLPKXTDSA-N	1	0	371.547	1.643	20	30		FDEDRO
C=CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCCOCC)CC2	ZINC001107524262	905367896	/nfs/dbraw/zinc/36/78/96/905367896.db2.gz	PXDZIHVGBOYAMP-YLJYHZDGSA-N	1	0	365.518	1.856	20	30		FDEDRO
CO[C@H](CC(C)C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107538869	905401582	/nfs/dbraw/zinc/40/15/82/905401582.db2.gz	YOPWLKVOYIKFLZ-GPMSIDNRSA-N	1	0	364.490	1.048	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3ccnc(OC)c3)CCC[C@@H]12	ZINC001107550326	905501687	/nfs/dbraw/zinc/50/16/87/905501687.db2.gz	SIMBWHFLAUZRHM-WIYYLYMNSA-N	1	0	371.481	1.643	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)c3ccco3)CCC[C@@H]12	ZINC001107547363	905531352	/nfs/dbraw/zinc/53/13/52/905531352.db2.gz	KSUBUUBSSNWTEZ-WRWLIDTKSA-N	1	0	357.454	1.493	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@]34CCC[C@H]3OCC4)CC2)C1=O	ZINC000996799681	905547627	/nfs/dbraw/zinc/54/76/27/905547627.db2.gz	NHNHKJHRQXVMAG-QKLQHJQFSA-N	1	0	361.486	1.313	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCOC)CC2	ZINC001107569559	905690240	/nfs/dbraw/zinc/69/02/40/905690240.db2.gz	CXJYQDQYVWLJOA-NLWGTHIKSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@]3(C)CCCS3(=O)=O)CCC[C@@H]12	ZINC001107573802	905719761	/nfs/dbraw/zinc/71/97/61/905719761.db2.gz	JXHABMPBHUSQDZ-KBAYOESNSA-N	1	0	354.516	1.891	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)Cc3c[nH]cn3)CCC[C@@H]12	ZINC001107573812	905720188	/nfs/dbraw/zinc/72/01/88/905720188.db2.gz	KJMOOYABTSLNLO-YVWKXTFCSA-N	1	0	358.486	1.599	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1CN(C(=O)CC[N@@H+](C)CCC)C1	ZINC001080574406	905724976	/nfs/dbraw/zinc/72/49/76/905724976.db2.gz	ARQPWOPTAGOYGQ-SJORKVTESA-N	1	0	351.491	1.369	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@H]2C)nn1	ZINC001080589840	905757551	/nfs/dbraw/zinc/75/75/51/905757551.db2.gz	OFDOQZVWJXKCCC-TZMCWYRMSA-N	1	0	353.417	1.950	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](CCc3cnn(CC)c3)C[C@H]2C)nn1	ZINC001080589978	905759714	/nfs/dbraw/zinc/75/97/14/905759714.db2.gz	WAZAALRTGAFFBP-NVXWUHKLSA-N	1	0	371.489	1.363	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnn4ccccc34)CCC[C@@H]12	ZINC001107581603	905794958	/nfs/dbraw/zinc/79/49/58/905794958.db2.gz	GFCRMSAKCATJQS-TZIWHRDSSA-N	1	0	366.465	1.959	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)c1cccnn1	ZINC001080656190	905901962	/nfs/dbraw/zinc/90/19/62/905901962.db2.gz	YCWUKZMMPGOVEQ-RDTXWAMCSA-N	1	0	351.410	1.629	20	30		FDEDRO
CO[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C	ZINC001082133657	905932191	/nfs/dbraw/zinc/93/21/91/905932191.db2.gz	LJBSYSXBPTWKKU-MISYRCLQSA-N	1	0	355.482	1.338	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1	ZINC001082134936	905941346	/nfs/dbraw/zinc/94/13/46/905941346.db2.gz	IYYZNOSLQTUULB-KFKAGJAMSA-N	1	0	356.470	1.215	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)C(=O)N3CC[C@@H](C)C3)CCC[C@@H]12	ZINC001107604248	905944780	/nfs/dbraw/zinc/94/47/80/905944780.db2.gz	NGMUVBCRCCBOKW-MBOZVWFJSA-N	1	0	363.502	1.418	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](C[C@@H](O)COC)CC3)nc1	ZINC001107610175	905968181	/nfs/dbraw/zinc/96/81/81/905968181.db2.gz	QPZBAOOTIJAPFR-YVWKXTFCSA-N	1	0	357.454	1.045	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3cnn4cc[nH]c34)CCC[C@@H]12	ZINC001107617303	906015376	/nfs/dbraw/zinc/01/53/76/906015376.db2.gz	DGXAPUULYKDUPC-VQIMIIECSA-N	1	0	357.458	1.839	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC(=O)N3C)CCC[C@@H]12	ZINC001107622906	906026556	/nfs/dbraw/zinc/02/65/56/906026556.db2.gz	GTROVTJCKINTTC-SQGPQFPESA-N	1	0	361.486	1.008	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCCN(C)C(C)=O)CCC[C@@H]12	ZINC001107620888	906058233	/nfs/dbraw/zinc/05/82/33/906058233.db2.gz	CNYKUGZTQFOMKA-UYAOXDASSA-N	1	0	363.502	1.256	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)Cn3c(=O)oc4ccccc43)CCC[C@@H]12	ZINC001107629194	906111881	/nfs/dbraw/zinc/11/18/81/906111881.db2.gz	XSQGTXCVAQUWTJ-WIYYLYMNSA-N	1	0	367.449	1.979	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCCc3cccc(C)c3)C[C@H]2O)c1	ZINC001077648419	906209117	/nfs/dbraw/zinc/20/91/17/906209117.db2.gz	JPZPUKWSKUBFNV-NHCUHLMSSA-N	1	0	363.461	1.779	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](C[C@H](OC)C3CCCC3)C[C@H]2O)c1	ZINC001077649782	906220952	/nfs/dbraw/zinc/22/09/52/906220952.db2.gz	FELJHLXRARANOM-QRVBRYPASA-N	1	0	357.454	1.043	20	30		FDEDRO
C=CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCCC1)CC2	ZINC001107650959	906226721	/nfs/dbraw/zinc/22/67/21/906226721.db2.gz	NUVHPALIYVMQNK-MBOZVWFJSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3C(C)=O)CCC[C@@H]12	ZINC001107647594	906272855	/nfs/dbraw/zinc/27/28/55/906272855.db2.gz	RCELWUJNSJZMNE-QWFCFKBJSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CCCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCOC)CC2	ZINC001107649470	906282458	/nfs/dbraw/zinc/28/24/58/906282458.db2.gz	YJVHBBRKNZRHLQ-IEBWSBKVSA-N	1	0	354.491	1.603	20	30		FDEDRO
C=CCCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCCC1)CC2	ZINC001107649391	906282758	/nfs/dbraw/zinc/28/27/58/906282758.db2.gz	WSZAZPAUWAXHHL-YLJYHZDGSA-N	1	0	363.502	1.562	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccnc(N(C)C)c3)C[C@H]2C)nc1	ZINC001080808144	906296054	/nfs/dbraw/zinc/29/60/54/906296054.db2.gz	LHBVRBKPYCYMKQ-DNVCBOLYSA-N	1	0	363.465	1.774	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCC(F)(F)C3)C[C@H]2OC)nn1	ZINC001082212744	906297199	/nfs/dbraw/zinc/29/71/99/906297199.db2.gz	CQOBGSWDSOSJMD-UMVBOHGHSA-N	1	0	369.416	1.329	20	30		FDEDRO
COc1ccc(CN2C[C@@H](C)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cc1C#N	ZINC001080787890	906315641	/nfs/dbraw/zinc/31/56/41/906315641.db2.gz	WTNUQEVYCXGPKE-CRAIPNDOSA-N	1	0	368.481	1.599	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](C(=O)Nc2cn[nH]c2)c2ccccc2)CC1	ZINC000765156516	906442450	/nfs/dbraw/zinc/44/24/50/906442450.db2.gz	NDWCKIIYXMRPSI-GOSISDBHSA-N	1	0	365.437	1.551	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[NH+]1CCCC1	ZINC000996934827	906589694	/nfs/dbraw/zinc/58/96/94/906589694.db2.gz	NNOAFSBTCCFRRQ-QSUVVDIXSA-N	1	0	361.486	1.312	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCN(c2cccc(CNC(=O)[C@H]3OCC[C@H]3C)n2)C1	ZINC001127845349	906704888	/nfs/dbraw/zinc/70/48/88/906704888.db2.gz	GBBNHHGIZPZHHD-SUMDDJOVSA-N	1	0	356.470	1.314	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCC3CCOCC3)C[C@H]2OC)nc1	ZINC001082333699	906827624	/nfs/dbraw/zinc/82/76/24/906827624.db2.gz	VHADJRVVNRAAQA-WOJBJXKFSA-N	1	0	371.481	1.699	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2c(C)cc(C)cc2C)C[C@H]1O	ZINC001077694613	906897245	/nfs/dbraw/zinc/89/72/45/906897245.db2.gz	XBCJCEUIJVDIBK-AFYVEPGGSA-N	1	0	358.482	1.864	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2cccc(C(N)=O)c2)CC1	ZINC000997011958	906927639	/nfs/dbraw/zinc/92/76/39/906927639.db2.gz	MDCSZQLUBDBZIO-MSOLQXFVSA-N	1	0	357.454	1.457	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCc2ccc(C)cc2)C[C@H]1O	ZINC001077697910	906938015	/nfs/dbraw/zinc/93/80/15/906938015.db2.gz	HJKQKXLCRAOHCA-WTGUMLROSA-N	1	0	358.482	1.680	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]2C)cc1	ZINC001081011343	906943044	/nfs/dbraw/zinc/94/30/44/906943044.db2.gz	VZSKTUWPNJTOLJ-ATZDWAIDSA-N	1	0	371.481	1.509	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3cc(OC)ccn3)C[C@H]2C)CC1	ZINC001080997833	906972325	/nfs/dbraw/zinc/97/23/25/906972325.db2.gz	LPLXRSMDEGGXPS-OXQOHEQNSA-N	1	0	370.497	1.372	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1	ZINC000765425402	907080858	/nfs/dbraw/zinc/08/08/58/907080858.db2.gz	CKZLYJXMGUVLDY-MRXNPFEDSA-N	1	0	367.490	1.779	20	30		FDEDRO
CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2c2ccccc2)C1=O	ZINC001081114719	907213338	/nfs/dbraw/zinc/21/33/38/907213338.db2.gz	ISTSIRPVIQTZSL-SLFFLAALSA-N	1	0	365.477	1.605	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(OC)nc(OC)c2)C[C@H]1c1ccccc1	ZINC001081140174	907245843	/nfs/dbraw/zinc/24/58/43/907245843.db2.gz	MCXHCDVBEGRSGG-ZWKOTPCHSA-N	1	0	365.433	1.930	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+][C@@H](C)C(N)=O)C2)cc1	ZINC001081156419	907271157	/nfs/dbraw/zinc/27/11/57/907271157.db2.gz	JBWNPZXPMHVRHW-RYGJVYDSSA-N	1	0	361.445	1.740	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2noc3c2COCC3)C[C@H]1c1ccccc1	ZINC001081230133	907429453	/nfs/dbraw/zinc/42/94/53/907429453.db2.gz	QGPIVHWLTDLAIE-DOTOQJQBSA-N	1	0	351.406	1.578	20	30		FDEDRO
C[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082418437	907580940	/nfs/dbraw/zinc/58/09/40/907580940.db2.gz	FDRYKLAGPWXFJI-CXAGYDPISA-N	1	0	358.417	1.256	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@H](C)n2cccn2)C[C@H]1C	ZINC001082433475	907706751	/nfs/dbraw/zinc/70/67/51/907706751.db2.gz	XXPPVFZHAKNUKM-RVKKMQEKSA-N	1	0	367.453	1.961	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)Cn2cc(C)cn2)C[C@H]1C	ZINC001082439771	907770948	/nfs/dbraw/zinc/77/09/48/907770948.db2.gz	KIOMTKPLETXIDE-CRAIPNDOSA-N	1	0	367.453	1.709	20	30		FDEDRO
Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)n(C)n1	ZINC001082440138	907774353	/nfs/dbraw/zinc/77/43/53/907774353.db2.gz	GNTXJURNFRZXBX-SJKOYZFVSA-N	1	0	355.417	1.990	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1[NH2+]CC(=O)N1CCCC[C@H]1C	ZINC001082464120	907897159	/nfs/dbraw/zinc/89/71/59/907897159.db2.gz	CIVLAFWSFOKXAC-CKEIUWERSA-N	1	0	357.458	1.337	20	30		FDEDRO
COc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)on1	ZINC001082484363	907909897	/nfs/dbraw/zinc/90/98/97/907909897.db2.gz	BATOLMPJGJNBQM-IAQYHMDHSA-N	1	0	358.373	1.944	20	30		FDEDRO
Cc1cc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)[nH]n1	ZINC001082471034	907916269	/nfs/dbraw/zinc/91/62/69/907916269.db2.gz	YHTAHTFKLTVUAM-AUUYWEPGSA-N	1	0	367.453	1.800	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1	ZINC000997168111	907916739	/nfs/dbraw/zinc/91/67/39/907916739.db2.gz	CCCVAEJTDIGGGK-YUELXQCFSA-N	1	0	362.392	1.573	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]C[C@@H]1COc2ccccc2O1	ZINC001082480212	907947607	/nfs/dbraw/zinc/94/76/07/907947607.db2.gz	NXBLIDOLNGTBQP-FRFSOERESA-N	1	0	366.421	1.776	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1)n1cncn1	ZINC001082481618	907955543	/nfs/dbraw/zinc/95/55/43/907955543.db2.gz	GDYBFCYJNXCKME-RVKKMQEKSA-N	1	0	368.441	1.378	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082490351	907997424	/nfs/dbraw/zinc/99/74/24/907997424.db2.gz	SVYLKZCTEWLHBL-IAQYHMDHSA-N	1	0	358.373	1.239	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082490901	908001450	/nfs/dbraw/zinc/00/14/50/908001450.db2.gz	ORTYWDDLTSYMLL-FZKQIMNGSA-N	1	0	355.417	1.610	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(C#N)ccc3F)C2)[nH]1	ZINC001082505065	908117968	/nfs/dbraw/zinc/11/79/68/908117968.db2.gz	AYRJVQAQOVGIIO-BDJLRTHQSA-N	1	0	356.405	1.303	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ccc(C)nn3)C[C@H]2C)cc1C#N	ZINC001082505438	908123470	/nfs/dbraw/zinc/12/34/70/908123470.db2.gz	GGAPOGVLUISURL-FZKQIMNGSA-N	1	0	365.437	1.916	20	30		FDEDRO
Cc1cn(C)nc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1	ZINC001082505852	908127168	/nfs/dbraw/zinc/12/71/68/908127168.db2.gz	NHWPIWUIGLWGIY-RDTXWAMCSA-N	1	0	367.453	1.881	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082506411	908134326	/nfs/dbraw/zinc/13/43/26/908134326.db2.gz	DEASJPURVKXXMM-DNVCBOLYSA-N	1	0	367.453	1.502	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cccc(F)c3C)C[C@H]2C)C1=O	ZINC001082525724	908266163	/nfs/dbraw/zinc/26/61/63/908266163.db2.gz	GWCNKPWFFUOFCH-JEBQAFNWSA-N	1	0	359.445	1.971	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1CC[NH+](CCn2cncn2)CC1	ZINC000997341006	908271795	/nfs/dbraw/zinc/27/17/95/908271795.db2.gz	XVZGPZKNZBUHTR-NJAFHUGGSA-N	1	0	361.490	1.476	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1	ZINC001082533209	908298076	/nfs/dbraw/zinc/29/80/76/908298076.db2.gz	NIJRWGHUIOCJKI-MRVWCRGKSA-N	1	0	362.923	1.636	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccnn3C(F)F)C[C@H]2C)C1=O	ZINC001082533705	908301743	/nfs/dbraw/zinc/30/17/43/908301743.db2.gz	VIWHJKGKRJETRD-JHJVBQTASA-N	1	0	367.400	1.115	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2ccnn2C)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082539255	908358596	/nfs/dbraw/zinc/35/85/96/908358596.db2.gz	DEZOJTOINCOJFX-DNVCBOLYSA-N	1	0	351.454	1.861	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCC(=O)NC2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082555025	908550300	/nfs/dbraw/zinc/55/03/00/908550300.db2.gz	PBSGUJSNZYDUJL-IIDMSEBBSA-N	1	0	354.454	1.411	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cn4c(n3)CCCC4)C[C@H]2C)C1=O	ZINC001082541265	908564106	/nfs/dbraw/zinc/56/41/06/908564106.db2.gz	RGJYEIPLNFRASB-OWCLPIDISA-N	1	0	371.485	1.056	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn3ncccc23)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082564196	908661581	/nfs/dbraw/zinc/66/15/81/908661581.db2.gz	CPKBXGVKEMTVFW-RDTXWAMCSA-N	1	0	360.421	1.851	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(Cl)nc2)C1	ZINC001082567939	908704906	/nfs/dbraw/zinc/70/49/06/908704906.db2.gz	MNNQSXBFEUKHPU-OIISXLGYSA-N	1	0	360.889	1.769	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C[N@@H+]1C1CC1	ZINC000267908984	908735187	/nfs/dbraw/zinc/73/51/87/908735187.db2.gz	LIIUKCRVTRMRKU-HOCLYGCPSA-N	1	0	354.458	1.410	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCCC(=O)N3)C[C@H]2C)cc1C#N	ZINC001082581014	908783656	/nfs/dbraw/zinc/78/36/56/908783656.db2.gz	RNEOMFUBEIUGSQ-KBRIMQKVSA-N	1	0	370.453	1.172	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(C(=O)C(C)C)C[C@@H]2CC)CC1	ZINC000921618973	908835838	/nfs/dbraw/zinc/83/58/38/908835838.db2.gz	BZZMXOBYCCUTTR-FUHWJXTLSA-N	1	0	362.518	1.666	20	30		FDEDRO
CCN1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)s2)C1	ZINC001082607997	908982957	/nfs/dbraw/zinc/98/29/57/908982957.db2.gz	AZRSJQNBXXAMJC-XYPHTWIQSA-N	1	0	362.499	1.277	20	30		FDEDRO
C=CCCC[N@@H+](C)CC(=O)N(CC)c1c(N)n(CCCC)c(=O)[nH]c1=O	ZINC000265652193	909043472	/nfs/dbraw/zinc/04/34/72/909043472.db2.gz	VKVIPVHYPONWCA-UHFFFAOYSA-N	1	0	365.478	1.582	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1OC)OCC	ZINC001212354663	909069340	/nfs/dbraw/zinc/06/93/40/909069340.db2.gz	GAELCUNZJJNXGT-FGTMMUONSA-N	1	0	364.490	1.149	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1OC)OCC	ZINC001212355021	909073086	/nfs/dbraw/zinc/07/30/86/909073086.db2.gz	QGMZKAFHZSZGAD-FGTMMUONSA-N	1	0	354.491	1.600	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@H]1CC[N@@H+](C)C1	ZINC000997542322	909088960	/nfs/dbraw/zinc/08/89/60/909088960.db2.gz	BVBRSBIZUKQHID-BDXSIMOUSA-N	1	0	370.497	1.878	20	30		FDEDRO
N#Cc1ccc(F)c(NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)c1	ZINC000888368913	909119832	/nfs/dbraw/zinc/11/98/32/909119832.db2.gz	FXBHLOHTKQTXGZ-UHFFFAOYSA-N	1	0	361.421	1.811	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc3n(n2)CCCO3)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082635346	909225409	/nfs/dbraw/zinc/22/54/09/909225409.db2.gz	SFPMJJOBQKZQAW-RDTXWAMCSA-N	1	0	365.437	1.788	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccn4ccnc4c3)C[C@H]2C)C1=O	ZINC001082640203	909260127	/nfs/dbraw/zinc/26/01/27/909260127.db2.gz	IPDPWTHSMFJSPS-DJIMGWMZSA-N	1	0	367.453	1.171	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2ccc3nnnn3c2)C[C@H]1C	ZINC001082640987	909269577	/nfs/dbraw/zinc/26/95/77/909269577.db2.gz	JSOGQRPEZCYMNB-BXKDBHETSA-N	1	0	365.235	1.083	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cc(=O)c(OC)c[nH]2)C[C@H]1C	ZINC001082644942	909298494	/nfs/dbraw/zinc/29/84/94/909298494.db2.gz	RNLZEMRCHWDSKP-BXKDBHETSA-N	1	0	370.247	1.342	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccc(OCCOC)nc2)[C@H](OC)C1	ZINC001212373535	909325414	/nfs/dbraw/zinc/32/54/14/909325414.db2.gz	SKPBUAFOCSFCBU-IAGOWNOFSA-N	1	0	363.458	1.502	20	30		FDEDRO
CCn1cc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)s3)C2)nn1	ZINC001082657503	909418002	/nfs/dbraw/zinc/41/80/02/909418002.db2.gz	AUEBMNCEBPGFCS-MLGOLLRUSA-N	1	0	358.471	1.410	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CCc2ccccc2Cl)C[C@@H]1O	ZINC001083789852	909438840	/nfs/dbraw/zinc/43/88/40/909438840.db2.gz	ABBMEROAVAGCMU-BGTYHANMSA-N	1	0	364.873	1.635	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@H](OC)c2cnn(C)c2)C[C@H]1C	ZINC001082666715	909462779	/nfs/dbraw/zinc/46/27/79/909462779.db2.gz	KUSOPVFWOITIQZ-HONMWMINSA-N	1	0	371.279	1.453	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H]3CCN(C(C)C)C3=O)C2)cc1	ZINC001082678844	909565059	/nfs/dbraw/zinc/56/50/59/909565059.db2.gz	XUFZBKWJGMSPFV-ATZDWAIDSA-N	1	0	353.466	1.727	20	30		FDEDRO
Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC001082697775	909656741	/nfs/dbraw/zinc/65/67/41/909656741.db2.gz	XXWKHRCBMUEOQA-BDJLRTHQSA-N	1	0	369.400	1.752	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1	ZINC000997771391	909663197	/nfs/dbraw/zinc/66/31/97/909663197.db2.gz	HBGJIBJWCCNNOA-NVXWUHKLSA-N	1	0	360.389	1.691	20	30		FDEDRO
C[C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082708061	909740027	/nfs/dbraw/zinc/74/00/27/909740027.db2.gz	SAXPTYVSZXWRPM-FZKQIMNGSA-N	1	0	371.416	1.446	20	30		FDEDRO
C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(C#N)c2)CC1	ZINC000997872988	909848649	/nfs/dbraw/zinc/84/86/49/909848649.db2.gz	ZUXCEUXKWHMHAB-IKGGRYGDSA-N	1	0	355.442	1.090	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)N3CCCCC3)C2)c1	ZINC001082730003	909863216	/nfs/dbraw/zinc/86/32/16/909863216.db2.gz	VDUGZRRSUHPAQM-JTDSTZFVSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#CCC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@H]1OCC[C@H]1CC)CC2	ZINC001128005870	909894616	/nfs/dbraw/zinc/89/46/16/909894616.db2.gz	MRAYJPILGZHRPY-RKVPGOIHSA-N	1	0	359.474	1.027	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082738319	909919890	/nfs/dbraw/zinc/91/98/90/909919890.db2.gz	KTUBSUKNIYAOGY-SMNXXWJPSA-N	1	0	358.417	1.160	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccc3cc(C)cn3c2)[C@H](OC)C1	ZINC001212381825	909970834	/nfs/dbraw/zinc/97/08/34/909970834.db2.gz	KNXVIHKGDMKMMW-RTBURBONSA-N	1	0	357.454	1.879	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2c(C)nn(C)c2Cl)C1	ZINC001082751942	909999784	/nfs/dbraw/zinc/99/97/84/909999784.db2.gz	HWPGWSFCCKOQTE-CUBALJKWSA-N	1	0	366.893	1.910	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc(C4CC4)n[nH]3)C[C@H]2C)C1=O	ZINC001082759531	910031667	/nfs/dbraw/zinc/03/16/67/910031667.db2.gz	RLKATJXKWWHJHA-HACGYAERSA-N	1	0	357.458	1.124	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCc3csc(C)n3)C2)nn1	ZINC001082791163	910191989	/nfs/dbraw/zinc/19/19/89/910191989.db2.gz	DFIXPPNFJLZLBP-IUODEOHRSA-N	1	0	360.487	1.522	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)C[C@H]1C	ZINC001082802661	910226582	/nfs/dbraw/zinc/22/65/82/910226582.db2.gz	PWAMNXLDFJQLLS-KBRIMQKVSA-N	1	0	370.453	1.172	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cnn4ccccc34)C[C@H]2C)C1=O	ZINC001082812866	910256508	/nfs/dbraw/zinc/25/65/08/910256508.db2.gz	WIDDYQXLFOPRNU-HYVNUMGLSA-N	1	0	367.453	1.171	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082807828	910265547	/nfs/dbraw/zinc/26/55/47/910265547.db2.gz	FJZBHEOQHDQXSE-VQIMIIECSA-N	1	0	356.470	1.217	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc3ncccn3n2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082816739	910293793	/nfs/dbraw/zinc/29/37/93/910293793.db2.gz	VOFBNJVNDOGMRK-RDTXWAMCSA-N	1	0	360.421	1.851	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cnn(C(F)F)c3)C[C@H]2C)C1=O	ZINC001082825528	910332911	/nfs/dbraw/zinc/33/29/11/910332911.db2.gz	MHWDTEQAMMXJBB-MRVWCRGKSA-N	1	0	367.400	1.115	20	30		FDEDRO
COc1ncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)s3)C2)cn1	ZINC001082838263	910373037	/nfs/dbraw/zinc/37/30/37/910373037.db2.gz	GVMCMZHUSCFRDA-IAQYHMDHSA-N	1	0	357.439	1.669	20	30		FDEDRO
C#CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC000998117788	910379736	/nfs/dbraw/zinc/37/97/36/910379736.db2.gz	UAZXABODHHHYFX-FGTMMUONSA-N	1	0	363.502	1.349	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CCCN(Cc2cnn(C)n2)CC1	ZINC000998129481	910424169	/nfs/dbraw/zinc/42/41/69/910424169.db2.gz	IIWDAZNNRCWPIR-KSZLIROESA-N	1	0	361.490	1.609	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(OC)n3)C2)nc1	ZINC001082868999	910509420	/nfs/dbraw/zinc/50/94/20/910509420.db2.gz	IZNKNEXADBZPSP-RDTXWAMCSA-N	1	0	350.422	1.717	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2cnccn2)C1	ZINC001082869058	910509585	/nfs/dbraw/zinc/50/95/85/910509585.db2.gz	MWIWSOPWQBNBIX-IIDMSEBBSA-N	1	0	365.437	1.695	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082869077	910511284	/nfs/dbraw/zinc/51/12/84/910511284.db2.gz	OAQQPPZJMLDFQN-FZKQIMNGSA-N	1	0	368.412	1.646	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)Cc3ccc(OC)cc3)C[C@H]2C)C1=O	ZINC001082880518	910626784	/nfs/dbraw/zinc/62/67/84/910626784.db2.gz	GXTVRFKUUHFCKN-AYOQOUSVSA-N	1	0	371.481	1.461	20	30		FDEDRO
CC(=O)N1CC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1	ZINC001082888661	910693413	/nfs/dbraw/zinc/69/34/13/910693413.db2.gz	XGIRHOOJRFAEMK-NIKGAXFTSA-N	1	0	354.454	1.363	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3c(C)noc3CC)C[C@H]2C)C1=O	ZINC001082913134	910864736	/nfs/dbraw/zinc/86/47/36/910864736.db2.gz	UEDZWMREGKEVSO-BPLDGKMQSA-N	1	0	360.458	1.382	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cncnc3C(C)C)C[C@H]2C)C1=O	ZINC001082926074	910956248	/nfs/dbraw/zinc/95/62/48/910956248.db2.gz	MRTSYFJXTMWKQD-DJIMGWMZSA-N	1	0	371.485	1.437	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2C[C@@H](C)[C@H]([NH2+][C@H]3CCCNC3=O)C2)cc1	ZINC001082949384	911063013	/nfs/dbraw/zinc/06/30/13/911063013.db2.gz	LKFNTKLBTAWDQF-AYOQOUSVSA-N	1	0	371.481	1.509	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)c2ccnn2C(CC)CC)[C@H](OC)C1	ZINC001212406015	911373484	/nfs/dbraw/zinc/37/34/84/911373484.db2.gz	HILACAHCBIBGHK-SJLPKXTDSA-N	1	0	364.490	1.876	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CCC[N@H+]2C)cn1	ZINC000998952147	911903279	/nfs/dbraw/zinc/90/32/79/911903279.db2.gz	LXQKVTDIAWPCIV-OWSLCNJRSA-N	1	0	352.438	1.019	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccn(CC(F)(F)F)n3)[C@H]2C1	ZINC001083113586	911908553	/nfs/dbraw/zinc/90/85/53/911908553.db2.gz	IWAWMMNJLCHFMX-UONOGXRCSA-N	1	0	358.364	1.547	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cn(CC(F)F)nc3C)[C@H]2C1	ZINC001083114215	911911815	/nfs/dbraw/zinc/91/18/15/911911815.db2.gz	SKKQXFTZTXNGJD-LSDHHAIUSA-N	1	0	354.401	1.558	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CN(c4ccccn4)C[C@H]3C)[C@H]2C1	ZINC001083084542	911954926	/nfs/dbraw/zinc/95/49/26/911954926.db2.gz	UNIIESYHTBOVNE-AKHDSKFASA-N	1	0	370.497	1.642	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[C@H](c4ccccc4)O3)[C@H]2C1	ZINC001083084489	911955175	/nfs/dbraw/zinc/95/51/75/911955175.db2.gz	SCMUNZLWUOYFQW-ZGXWSNOMSA-N	1	0	354.450	1.842	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCN(C(=O)CC)C3)[C@H]2C1	ZINC001083091609	911973332	/nfs/dbraw/zinc/97/33/32/911973332.db2.gz	WHFBYAZCILBBOA-FGTMMUONSA-N	1	0	363.502	1.513	20	30		FDEDRO
N#CCNC(=O)COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1	ZINC000733529755	921709178	/nfs/dbraw/zinc/70/91/78/921709178.db2.gz	FIIOYOHMXYNQAQ-INIZCTEOSA-N	1	0	369.343	1.624	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3[nH]c(C)c(C(N)=O)c3CC)[C@H]2C1	ZINC001083104938	912037698	/nfs/dbraw/zinc/03/76/98/912037698.db2.gz	AQIONUBPFWXWGJ-LSDHHAIUSA-N	1	0	360.458	1.086	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4ccc(OC)cc43)[C@H]2C1	ZINC001083107680	912056155	/nfs/dbraw/zinc/05/61/55/912056155.db2.gz	RFMFWAAZBWTCCX-YSIASYRMSA-N	1	0	354.450	1.660	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cncc(OC)n2)C1	ZINC000999179533	912208518	/nfs/dbraw/zinc/20/85/18/912208518.db2.gz	BIASYRICPFKZHE-UAGQMJEPSA-N	1	0	360.458	1.547	20	30		FDEDRO
Cn1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)ccc1=O	ZINC001084480899	914910587	/nfs/dbraw/zinc/91/05/87/914910587.db2.gz	IOJMJDAVGFZPKB-IEBWSBKVSA-N	1	0	362.433	1.603	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3OCC(N)=O)[C@@H]2C1	ZINC001084502150	915038776	/nfs/dbraw/zinc/03/87/76/915038776.db2.gz	DZTZBRFVNXZATQ-NVXWUHKLSA-N	1	0	357.454	1.663	20	30		FDEDRO
C=CC(C)(C)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1	ZINC001065206907	915107935	/nfs/dbraw/zinc/10/79/35/915107935.db2.gz	NQADZYYMNYUQEH-BZUAXINKSA-N	1	0	351.491	1.273	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3CC[N@@H+](CCCc4nc(C)no4)C[C@H]32)c1	ZINC001084647642	915823472	/nfs/dbraw/zinc/82/34/72/915823472.db2.gz	AGCNHEOMWGCCAG-SJLPKXTDSA-N	1	0	365.437	1.533	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)/C(=C/c2ccccc2)n2nnnc2C)CC1	ZINC000729976772	915900214	/nfs/dbraw/zinc/90/02/14/915900214.db2.gz	ACGPXSUTLMEUHS-JXAWBTAJSA-N	1	0	352.442	1.746	20	30		FDEDRO
C[C@]1(C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)CCNC1=O	ZINC001084658016	915918605	/nfs/dbraw/zinc/91/86/05/915918605.db2.gz	YVDMRBCKDMZWAL-HLIPFELVSA-N	1	0	352.438	1.117	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3CC[N@H+](CCOc4ccccc4)C[C@H]32)nn1	ZINC001084708822	916393560	/nfs/dbraw/zinc/39/35/60/916393560.db2.gz	VREMBHOQYPISDI-VQIMIIECSA-N	1	0	367.453	1.689	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1	ZINC000730282488	916462822	/nfs/dbraw/zinc/46/28/22/916462822.db2.gz	MPCVEZZUMBPDMB-MJGOQNOKSA-N	1	0	368.481	1.420	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1	ZINC000730286087	916474730	/nfs/dbraw/zinc/47/47/30/916474730.db2.gz	DCSCGIUULIEVAX-FQEVSTJZSA-N	1	0	372.488	1.681	20	30		FDEDRO
C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(Cc4ccc(C#N)c(F)c4)C[C@H]32)C1	ZINC001084830548	917509897	/nfs/dbraw/zinc/50/98/97/917509897.db2.gz	YUJAZCUTIVMIAA-ZIFCJYIRSA-N	1	0	356.445	1.682	20	30		FDEDRO
COc1ccc(C#N)cc1CN1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1	ZINC001084832773	917533249	/nfs/dbraw/zinc/53/32/49/917533249.db2.gz	WOUOHGZKBLLLNU-IEBWSBKVSA-N	1	0	368.481	1.695	20	30		FDEDRO
C#CCOc1ccc(NC(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)cc1	ZINC000731058526	917678525	/nfs/dbraw/zinc/67/85/25/917678525.db2.gz	HTBBKRNEGAZURS-WMZOPIPTSA-N	1	0	369.465	1.970	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN([C@@H](C)c4nc(C)no4)C[C@H]32)CC1	ZINC001084850198	917693485	/nfs/dbraw/zinc/69/34/85/917693485.db2.gz	OUBHJMRHMXFFCT-BMGDILEWSA-N	1	0	371.485	1.317	20	30		FDEDRO
Cn1cc(CCC(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)cn1	ZINC001084850252	917694103	/nfs/dbraw/zinc/69/41/03/917694103.db2.gz	RLKBLMVGSPSYKF-WOJBJXKFSA-N	1	0	363.465	1.957	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)c4cc[n+]([O-])cc4)C[C@@H]32)s1	ZINC001084884515	917984743	/nfs/dbraw/zinc/98/47/43/917984743.db2.gz	KJRFHQOSJPNKOO-KDOFPFPSSA-N	1	0	368.462	1.990	20	30		FDEDRO
c1ccc2c(N=NC3CC[NH+](CCN4CCOCC4)CC3)ccnc2c1	ZINC000731558506	918198007	/nfs/dbraw/zinc/19/80/07/918198007.db2.gz	WDRYNFMOMZGFJK-UHFFFAOYSA-N	1	0	353.470	1.853	20	30		FDEDRO
CN1CCO[C@H](C(=O)N2CC[C@H]3CC[N@H+](CC#Cc4ccccc4)[C@H]3C2)C1	ZINC001084911020	918247005	/nfs/dbraw/zinc/24/70/05/918247005.db2.gz	LGTWZKIWDHKUGR-HKBOAZHASA-N	1	0	367.493	1.292	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3CC[N@H+](C[C@H]4CCc5ncnn54)[C@H]3C2)c[nH]1	ZINC001084925562	918358563	/nfs/dbraw/zinc/35/85/63/918358563.db2.gz	HOAOPRMWWAROJY-XYPHTWIQSA-N	1	0	365.441	1.202	20	30		FDEDRO
Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]32)n1	ZINC001084925725	918361345	/nfs/dbraw/zinc/36/13/45/918361345.db2.gz	VQOZXCJILHLQFD-QAPCUYQASA-N	1	0	367.457	1.331	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccn(C4CCOCC4)n3)C[C@@H]21	ZINC001084940375	918563709	/nfs/dbraw/zinc/56/37/09/918563709.db2.gz	YPIGSOIRIZHRKS-APWZRJJASA-N	1	0	356.470	1.794	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCc3ccnn3C)[C@H]2C1	ZINC001084943067	918609308	/nfs/dbraw/zinc/60/93/08/918609308.db2.gz	FAIPRLZEYGXAGZ-LMCOJAPRSA-N	1	0	372.513	1.867	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ccns4)C[C@@H]32)C1=O	ZINC001084951717	918754729	/nfs/dbraw/zinc/75/47/29/918754729.db2.gz	YMQNTQCJFQTNRY-ZNMIVQPWSA-N	1	0	360.483	1.466	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)n3nnnc3C(C)(C)C)C[C@@H]21	ZINC001084955185	918780693	/nfs/dbraw/zinc/78/06/93/918780693.db2.gz	KKWSDUQAGOUIFR-XHSDSOJGSA-N	1	0	358.490	1.478	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc4c3oc(=O)n4C)C[C@@H]21	ZINC001084957661	918841182	/nfs/dbraw/zinc/84/11/82/918841182.db2.gz	NUZNQLQERJBPSG-PBHICJAKSA-N	1	0	353.422	1.691	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21	ZINC000820352676	918842119	/nfs/dbraw/zinc/84/21/19/918842119.db2.gz	ATLDVOQNIBBEKB-ZGXWSNOMSA-N	1	0	355.482	1.971	20	30		FDEDRO
C[NH+](C)CCCNC(=S)NN=Cc1cc(Br)ccc1O	ZINC000731928218	918845192	/nfs/dbraw/zinc/84/51/92/918845192.db2.gz	FXZKYIUHZUUGBZ-UHFFFAOYSA-N	1	0	359.293	1.904	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)c4cn[nH]c(=O)c4)C[C@@H]32)c1	ZINC001084965798	918934706	/nfs/dbraw/zinc/93/47/06/918934706.db2.gz	SVEWOYHGZUKHBS-AEFFLSMTSA-N	1	0	363.421	1.790	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ccnnc4C)C[C@@H]32)C1=O	ZINC001084981504	919108308	/nfs/dbraw/zinc/10/83/08/919108308.db2.gz	JXYXNMYZPNJLRG-JQHSSLGASA-N	1	0	369.469	1.108	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1	ZINC000732248695	919259917	/nfs/dbraw/zinc/25/99/17/919259917.db2.gz	HGLNQLPEVQHCIZ-QGZVFWFLSA-N	1	0	370.497	1.678	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN(CC(F)F)C3)C[C@@H]21	ZINC001085017486	919695262	/nfs/dbraw/zinc/69/52/62/919695262.db2.gz	ISRLJPUISGHVDR-ZACQAIPSSA-N	1	0	353.457	1.910	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3CC[N@H+](Cc4cccnc4)[C@H]3C2)nn1	ZINC001085052006	920099771	/nfs/dbraw/zinc/09/97/71/920099771.db2.gz	YJXOAAMBPTVNPW-AEFFLSMTSA-N	1	0	352.442	1.596	20	30		FDEDRO
Cc1ccc(C(=O)N[C@H](C[NH+](C)C)C(C)C)cc1S(=O)(=O)NCC#N	ZINC000733164296	920714238	/nfs/dbraw/zinc/71/42/38/920714238.db2.gz	OMFKESIAHTVYEG-OAHLLOKOSA-N	1	0	366.487	1.113	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)Cn4cncn4)C[C@@H]32)cc1F	ZINC001085088444	920759101	/nfs/dbraw/zinc/75/91/01/920759101.db2.gz	ZZHHGOABJNMOIF-QAPCUYQASA-N	1	0	368.416	1.412	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4[nH]cnc4C)C[C@@H]32)C1=O	ZINC001085108023	920971343	/nfs/dbraw/zinc/97/13/43/920971343.db2.gz	BFPKPDCIIBEADU-XHSDSOJGSA-N	1	0	357.458	1.041	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnc(C)s2)C1=O	ZINC001085147827	921814834	/nfs/dbraw/zinc/81/48/34/921814834.db2.gz	QBMQMNRUDMHNEH-RBSFLKMASA-N	1	0	362.499	1.869	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2n[nH]c(C)c2C)C1=O	ZINC001085154285	921840703	/nfs/dbraw/zinc/84/07/03/921840703.db2.gz	LPNGNKWCJNNQLY-OAGGEKHMSA-N	1	0	359.474	1.444	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)CC2CCOCC2)C1=O	ZINC001085155016	921847517	/nfs/dbraw/zinc/84/75/17/921847517.db2.gz	XTTHZPDSFKSKMT-KURKYZTESA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CN(C)CCO1	ZINC001085159351	921880705	/nfs/dbraw/zinc/88/07/05/921880705.db2.gz	QKZKYPGGNZHZHW-MCIONIFRSA-N	1	0	360.296	1.243	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C(N)=O)c2)c1	ZINC001085163952	921911642	/nfs/dbraw/zinc/91/16/42/921911642.db2.gz	IGFYVFUSTMVMMB-IAGOWNOFSA-N	1	0	365.437	1.816	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCc3ncnn32)[nH]1	ZINC001085172142	921982185	/nfs/dbraw/zinc/98/21/85/921982185.db2.gz	OSURUDKLRCRPPK-RRFJBIMHSA-N	1	0	353.430	1.296	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN2CCOCC2)cc1	ZINC001085173435	921990607	/nfs/dbraw/zinc/99/06/07/921990607.db2.gz	VUSBYEFSTZCIKN-RTBURBONSA-N	1	0	356.470	1.407	20	30		FDEDRO
Cn1oc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)s2)cc1=O	ZINC001085183327	922053561	/nfs/dbraw/zinc/05/35/61/922053561.db2.gz	WBCKVNVKFRDZGV-ZIAGYGMSSA-N	1	0	360.439	1.742	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(C(=O)CSCC#N)CC2)CC[N@@H+]1C	ZINC001066218404	922615968	/nfs/dbraw/zinc/61/59/68/922615968.db2.gz	FULLSVDPJRLEQU-HRCADAONSA-N	1	0	366.531	1.471	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2ccnc(C#N)n2)CC[N@@H+]1C	ZINC001066201648	922620991	/nfs/dbraw/zinc/62/09/91/922620991.db2.gz	FISFCLXWEULMBX-FPCVCCKLSA-N	1	0	354.458	1.258	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3c2cnc(C#N)cn2)CC[N@@H+]1C	ZINC001066203768	922626679	/nfs/dbraw/zinc/62/66/79/922626679.db2.gz	WOLSCLSIVGGJTI-MHORFTMASA-N	1	0	368.485	1.648	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1	ZINC000734171021	923003928	/nfs/dbraw/zinc/00/39/28/923003928.db2.gz	BNUVVQZVWOLFGQ-GOSISDBHSA-N	1	0	359.470	1.855	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@@H+](CCO)C[C@H](CC)OC)CC1	ZINC001098368273	923276428	/nfs/dbraw/zinc/27/64/28/923276428.db2.gz	KULXAKDHRFKMBD-OTWHNJEPSA-N	1	0	368.518	1.678	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2cncc(C)c2)C1=O	ZINC001085286377	923530200	/nfs/dbraw/zinc/53/02/00/923530200.db2.gz	DUWOLCKATZEUKZ-GUDVDZBRSA-N	1	0	370.497	1.736	20	30		FDEDRO
CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001085307108	923717050	/nfs/dbraw/zinc/71/70/50/923717050.db2.gz	GIAITYPNLLTBMR-KZNAEPCWSA-N	1	0	354.454	1.696	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCN(C(C)C)C2=O)c1	ZINC001085326605	923887452	/nfs/dbraw/zinc/88/74/52/923887452.db2.gz	XXFHPDBKICDHQB-GUDVDZBRSA-N	1	0	368.481	1.703	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cncc(OC)n2)c1	ZINC001085326280	923887843	/nfs/dbraw/zinc/88/78/43/923887843.db2.gz	GTRKCLGYMKOVHN-QZTJIDSGSA-N	1	0	365.437	1.692	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(C)ncn2)nn1	ZINC001085358539	924171401	/nfs/dbraw/zinc/17/14/01/924171401.db2.gz	HMLQTWJFJRMEDD-IAGOWNOFSA-N	1	0	369.473	1.783	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2conc2C)nn1	ZINC001085358715	924172823	/nfs/dbraw/zinc/17/28/23/924172823.db2.gz	ORYYLFDNEHABLM-HZPDHXFCSA-N	1	0	358.446	1.981	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccn(C)c(=O)c1	ZINC001085360147	924216968	/nfs/dbraw/zinc/21/69/68/924216968.db2.gz	QVGSWEVOMPYABS-XFKSJGNHSA-N	1	0	373.497	1.884	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnnn2CC)nc1	ZINC001085398332	924448694	/nfs/dbraw/zinc/44/86/94/924448694.db2.gz	CCMZGIINSOWOKQ-IAGOWNOFSA-N	1	0	352.442	1.505	20	30		FDEDRO
N#CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCC(=O)N2)cc1	ZINC001085399261	924452020	/nfs/dbraw/zinc/45/20/20/924452020.db2.gz	ZRRFOAVJEQRNLX-KURKYZTESA-N	1	0	370.453	1.385	20	30		FDEDRO
CC[N@H+](C[C@@H]1CCOC1)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O	ZINC000738084097	925090790	/nfs/dbraw/zinc/09/07/90/925090790.db2.gz	YSKZJXPUJWRFKG-HNAYVOBHSA-N	1	0	356.426	1.641	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)COc2cccnc2)[C@@H](n2ccnn2)C1	ZINC001129321806	925116959	/nfs/dbraw/zinc/11/69/59/925116959.db2.gz	PUPGZFHBVCHXCI-SJORKVTESA-N	1	0	356.430	1.060	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccn(C)c(=O)c1	ZINC001085869118	925355881	/nfs/dbraw/zinc/35/58/81/925355881.db2.gz	IUEQZNNBWDTIDN-AOIWGVFYSA-N	1	0	359.470	1.399	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CNC(=O)CCc2ccc(C)cc2)CC1	ZINC000740735386	925419257	/nfs/dbraw/zinc/41/92/57/925419257.db2.gz	CTKKANBYDRHBBR-UHFFFAOYSA-N	1	0	355.482	1.648	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)CC1	ZINC000740735974	925419849	/nfs/dbraw/zinc/41/98/49/925419849.db2.gz	XUDOUNMMFFXLBB-UHFFFAOYSA-N	1	0	364.449	1.514	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1	ZINC000740736047	925420197	/nfs/dbraw/zinc/42/01/97/925420197.db2.gz	BDJRUPFUBPFHPF-IAGOWNOFSA-N	1	0	359.470	1.156	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000741318231	925705153	/nfs/dbraw/zinc/70/51/53/925705153.db2.gz	MFBKXFZSUVSSBY-WBVHZDCISA-N	1	0	373.453	1.842	20	30		FDEDRO
CC[N@@H+]1CCC(N=Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])[C@@H](C)C1	ZINC000741451699	925779642	/nfs/dbraw/zinc/77/96/42/925779642.db2.gz	UMNFORGNJWJXTR-JTQLQIEISA-N	1	0	355.420	1.372	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1F	ZINC000741723118	925832397	/nfs/dbraw/zinc/83/23/97/925832397.db2.gz	UGTDIMWGYXAFAN-GXTWGEPZSA-N	1	0	369.462	1.503	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@]23C[C@H]2COC3)C1	ZINC001086091485	925955856	/nfs/dbraw/zinc/95/58/56/925955856.db2.gz	AISTVAOCXMBUGU-REGYPHIPSA-N	1	0	355.438	1.588	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2C#N)C1	ZINC001086110810	926021437	/nfs/dbraw/zinc/02/14/37/926021437.db2.gz	AGEKLVOUZBOVDO-UHIXZJCNSA-N	1	0	361.417	1.486	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1	ZINC000742391262	926038948	/nfs/dbraw/zinc/03/89/48/926038948.db2.gz	FMCIMKFDLZNMNL-PMUMKWKESA-N	1	0	353.426	1.995	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001086197499	926261649	/nfs/dbraw/zinc/26/16/49/926261649.db2.gz	KQPRKBWATACHKA-HNONPPJISA-N	1	0	354.454	1.267	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nc(C3CC3)nn2C)C1	ZINC001086202421	926288501	/nfs/dbraw/zinc/28/85/01/926288501.db2.gz	YJBLRRNKTMHZHS-BVUBDWEXSA-N	1	0	359.474	1.268	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(=O)c(OC)co2)C1	ZINC001086202813	926289916	/nfs/dbraw/zinc/28/99/16/926289916.db2.gz	RNHAQZGAZVAMCD-CXUGXGMPSA-N	1	0	362.426	1.224	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)N2CCCCC2)C1	ZINC001086202919	926290003	/nfs/dbraw/zinc/29/00/03/926290003.db2.gz	XCFKHPJXTRIOSD-SFFUCWETSA-N	1	0	363.502	1.463	20	30		FDEDRO
Cc1ccc(C/N=C2/NC(=O)C(CC(=O)NCCC[NH+](C)C)S2)cc1	ZINC000743276900	926307102	/nfs/dbraw/zinc/30/71/02/926307102.db2.gz	CJTISRIVVOFTSC-HNNXBMFYSA-N	1	0	362.499	1.541	20	30		FDEDRO
C[NH+](C)CCCNC(=O)CC1S/C(=N/CCc2cccs2)NC1=O	ZINC000743277188	926307453	/nfs/dbraw/zinc/30/74/53/926307453.db2.gz	LFVSESMGVWIARQ-CYBMUJFWSA-N	1	0	368.528	1.336	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)c2nncn2C)C1	ZINC001086220580	926326671	/nfs/dbraw/zinc/32/66/71/926326671.db2.gz	HCCRYHOZTMAARJ-KSWRQPAISA-N	1	0	361.490	1.732	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)nn2)C1	ZINC001086223342	926352902	/nfs/dbraw/zinc/35/29/02/926352902.db2.gz	LOGPETZPWHHRJS-DNMXQMFDSA-N	1	0	360.458	1.451	20	30		FDEDRO
C[C@H](CC(=O)NCC[NH2+]C(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21	ZINC000743483520	926375873	/nfs/dbraw/zinc/37/58/73/926375873.db2.gz	AIXHRVFDYJPONO-GFCCVEGCSA-N	1	0	366.487	1.008	20	30		FDEDRO
C=CCc1cc(CNS(=O)(=O)[C@H]2CCC[NH2+]C2)cc(OC)c1OC	ZINC000923603000	927070207	/nfs/dbraw/zinc/07/02/07/927070207.db2.gz	WEBBKCWUMWROQX-HNNXBMFYSA-N	1	0	354.472	1.604	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(=O)c(OC)co2)C1	ZINC001086483232	927539598	/nfs/dbraw/zinc/53/95/98/927539598.db2.gz	RNHAQZGAZVAMCD-SMKXDYDZSA-N	1	0	362.426	1.224	20	30		FDEDRO
CC(C)CN(C(=O)CCNC(=O)C1N=CC=CC1=O)C1CC[NH+](C)CC1	ZINC000746021630	927544686	/nfs/dbraw/zinc/54/46/86/927544686.db2.gz	NDGADMJKQDRVOX-VHEBQXMUSA-N	1	0	362.474	1.482	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CCC[NH+](C)C)CC1	ZINC001066549170	927556110	/nfs/dbraw/zinc/55/61/10/927556110.db2.gz	UQXUYXZBBKELLE-ZACQAIPSSA-N	1	0	351.491	1.417	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)CCNC(=O)C1N=CC=CC1=O)c1ccsc1	ZINC000746118102	927624003	/nfs/dbraw/zinc/62/40/03/927624003.db2.gz	KZQXAPBBPIIAKF-VLUKHXRESA-N	1	0	362.455	1.384	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1	ZINC001086503831	927711308	/nfs/dbraw/zinc/71/13/08/927711308.db2.gz	PXHRNXGPNJHHCV-RXYDEIHYSA-N	1	0	363.502	1.368	20	30		FDEDRO
N#CCn1cc(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cn1	ZINC000746395350	927942599	/nfs/dbraw/zinc/94/25/99/927942599.db2.gz	MGEFQADCARVMCF-MRXNPFEDSA-N	1	0	372.473	1.460	20	30		FDEDRO
O=C1c2ccccc2C(=O)C(Nc2nccc(N3CC[NH2+]CC3)n2)=C1Cl	ZINC001169045681	928254424	/nfs/dbraw/zinc/25/44/24/928254424.db2.gz	NLTJBTFXJFDUMT-UHFFFAOYSA-N	1	0	369.812	1.828	20	30		FDEDRO
C=CCc1ccc(NC(=O)C(C)(C)C)c(-n2cncc2C[C@@H]([NH3+])CO)n1	ZINC001169070754	928260235	/nfs/dbraw/zinc/26/02/35/928260235.db2.gz	ACEPKJFRMMSNMD-CYBMUJFWSA-N	1	0	357.458	1.843	20	30		FDEDRO
N#CCOc1ccc(Br)cc1-n1cncc1C[C@@H]([NH3+])CO	ZINC001169073482	928262587	/nfs/dbraw/zinc/26/25/87/928262587.db2.gz	IYWMURDTJSUAGK-LLVKDONJSA-N	1	0	351.204	1.399	20	30		FDEDRO
C=CCOC(=O)N1CC2(C1)CC[NH+]([C@H]1CC[C@@H](C(=O)OCC)OC1)CC2	ZINC001169367879	928477584	/nfs/dbraw/zinc/47/75/84/928477584.db2.gz	QEWHERRTWILHBT-HOTGVXAUSA-N	1	0	366.458	1.818	20	30		FDEDRO
C[NH+]1CCC(NC(=O)c2ccc(NC=CC(=O)C(F)(F)F)nn2)CC1	ZINC001169474883	928674220	/nfs/dbraw/zinc/67/42/20/928674220.db2.gz	CPYPPFXMEOIGMM-QPJJXVBHSA-N	1	0	357.336	1.358	20	30		FDEDRO
CCOC(=O)C1(Nc2ccc(CN(C)/C(C)=N/C#N)cn2)CC[NH+](C)CC1	ZINC001169491453	928705334	/nfs/dbraw/zinc/70/53/34/928705334.db2.gz	RLXODYBMTYFSJE-PXLXIMEGSA-N	1	0	372.473	1.852	20	30		FDEDRO
COC(=O)n1ncc(C#N)c1Nc1cccc2c1NC(=O)C21CC[NH2+]CC1	ZINC001169969111	928970095	/nfs/dbraw/zinc/97/00/95/928970095.db2.gz	WTEANZZQBUVUFT-UHFFFAOYSA-N	1	0	366.381	1.686	20	30		FDEDRO
C=CCN1CCN(C)C2(CC[NH+]([C@H]3CCCC4(C3)OCCO4)CC2)C1=O	ZINC001169951727	928974905	/nfs/dbraw/zinc/97/49/05/928974905.db2.gz	YIQCNLULBVRTJB-KRWDZBQOSA-N	1	0	363.502	1.467	20	30		FDEDRO
C#CCN1CCN(C(=O)CN2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1	ZINC000766963130	929021654	/nfs/dbraw/zinc/02/16/54/929021654.db2.gz	HJQWSRXOVWMLBO-PMACEKPBSA-N	1	0	368.525	1.359	20	30		FDEDRO
COC(=O)n1ncc(C#N)c1Nc1ccc2c([C@@H]3CCC[NH2+]3)nnn2c1	ZINC001169970950	929551592	/nfs/dbraw/zinc/55/15/92/929551592.db2.gz	OZXBRWSWGDSNQC-LBPRGKRZSA-N	1	0	352.358	1.580	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc3[nH]c(C)nc31)C2	ZINC001109543796	929738678	/nfs/dbraw/zinc/73/86/78/929738678.db2.gz	IVGBXFMYLNYLOI-KBMXLJTQSA-N	1	0	355.442	1.804	20	30		FDEDRO
COC(=O)C[C@]1([NH2+]CC(=O)N(C)C2(C#N)CCCCC2)CCCOC1	ZINC000770691591	930204635	/nfs/dbraw/zinc/20/46/35/930204635.db2.gz	JVMKFCPVKLRHFU-QGZVFWFLSA-N	1	0	351.447	1.373	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1nnc3c1CCCC3)C2	ZINC001109724543	930229027	/nfs/dbraw/zinc/22/90/27/930229027.db2.gz	YBPDSUTXLZXDTH-PVAVHDDUSA-N	1	0	359.474	1.081	20	30		FDEDRO
C=C(Cl)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@@H](C)[NH+]1CCCC1)C2	ZINC001109732894	930270460	/nfs/dbraw/zinc/27/04/60/930270460.db2.gz	ARKMYTGTSBSPDD-NCOADZHNSA-N	1	0	355.910	1.961	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1cnn(C)c1	ZINC001109804341	930494720	/nfs/dbraw/zinc/49/47/20/930494720.db2.gz	LULGZQMMHSMRQH-XWSJACJDSA-N	1	0	373.501	1.155	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)CC)C2	ZINC001109928510	930782136	/nfs/dbraw/zinc/78/21/36/930782136.db2.gz	ZACSYRXZWWNHOP-SQNIBIBYSA-N	1	0	364.534	1.474	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn3ccc(C)nc13)C2	ZINC001109986285	930972125	/nfs/dbraw/zinc/97/21/25/930972125.db2.gz	NRNOUODUJQCSNA-PVAVHDDUSA-N	1	0	355.442	1.575	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc3ccccc3n1)C2	ZINC001109992108	930977369	/nfs/dbraw/zinc/97/73/69/930977369.db2.gz	ALCNXGIQLDHIDH-NEWSRXKRSA-N	1	0	354.454	1.960	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1	ZINC000772110890	931079995	/nfs/dbraw/zinc/07/99/95/931079995.db2.gz	WPPLLHHUCBZANW-UHFFFAOYSA-N	1	0	371.393	1.372	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)NC(=O)Nc2ccccc2)CC1	ZINC000772113651	931081231	/nfs/dbraw/zinc/08/12/31/931081231.db2.gz	PWFNLRBTTIFFTD-AWEZNQCLSA-N	1	0	357.410	1.612	20	30		FDEDRO
Cc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)ccc1C#N	ZINC001090432973	931093844	/nfs/dbraw/zinc/09/38/44/931093844.db2.gz	LDJSEJHBXLFEBB-LMMKCTJWSA-N	1	0	371.485	1.048	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cc(N3C[C@@H](C)O[C@H](C)C3)ccn2)CC1	ZINC000772297684	931182537	/nfs/dbraw/zinc/18/25/37/931182537.db2.gz	DCXNPJYTUIBCHX-IAGOWNOFSA-N	1	0	370.497	1.913	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CN(C(C)=O)CCO1)C2	ZINC001110048953	931258719	/nfs/dbraw/zinc/25/87/19/931258719.db2.gz	GGWHXQFZEZSVFT-XWSJACJDSA-N	1	0	365.518	1.926	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c[nH]cc1C1CC1)C2	ZINC001112554360	931519605	/nfs/dbraw/zinc/51/96/05/931519605.db2.gz	NQBLTVIEUWKRSU-KKSFZXQISA-N	1	0	368.481	1.473	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)OCc2ccnc(C#N)c2)CC1=O	ZINC000785651880	931526154	/nfs/dbraw/zinc/52/61/54/931526154.db2.gz	HIPDDSOSXNBCPK-WBVHZDCISA-N	1	0	356.426	1.329	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnc3c(cnn3C)c1)C2	ZINC001112552313	931528663	/nfs/dbraw/zinc/52/86/63/931528663.db2.gz	RGPJCGQWQPCCLY-PXNSSMCTSA-N	1	0	351.454	1.824	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn(C(C)C)nn1)C2	ZINC001112552603	931529810	/nfs/dbraw/zinc/52/98/10/931529810.db2.gz	GIVFTDWMPKPKAY-LPHOPBHVSA-N	1	0	361.490	1.894	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C1CC1)C1CC1)C2	ZINC001112560106	931570682	/nfs/dbraw/zinc/57/06/82/931570682.db2.gz	FNMFSYYTPUGOSR-UWJYYQICSA-N	1	0	357.498	1.390	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC(=O)NCC1CC1)C2	ZINC001112560438	931572098	/nfs/dbraw/zinc/57/20/98/931572098.db2.gz	XYBIKNYIEWIVSB-PXNSSMCTSA-N	1	0	363.502	1.324	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CCCS(=O)(=O)C1)C2	ZINC001112558414	931578524	/nfs/dbraw/zinc/57/85/24/931578524.db2.gz	GCKKQAAKIXSUCV-LNLFQRSKSA-N	1	0	366.527	1.443	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)C2	ZINC001112558640	931579067	/nfs/dbraw/zinc/57/90/67/931579067.db2.gz	QIPPOVDJIGDIMY-WWMYMODYSA-N	1	0	370.497	1.383	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1nccn3cc(C)nc13)C2	ZINC001112558674	931579726	/nfs/dbraw/zinc/57/97/26/931579726.db2.gz	RXIIZCGSLMPINP-JXFKEZNVSA-N	1	0	351.454	1.893	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc(C(=O)N(C)C)c1)C2	ZINC001112564714	931608573	/nfs/dbraw/zinc/60/85/73/931608573.db2.gz	LZXPOEPYAZLJMK-RXVVDRJESA-N	1	0	353.466	1.854	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@@H](C)C(=O)N(C)C)C2)cn1	ZINC001112566227	931617767	/nfs/dbraw/zinc/61/77/67/931617767.db2.gz	QSUZKAOUNKIJKR-WJPUGNRLSA-N	1	0	368.481	1.372	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C)cc(C)c1)C2	ZINC001112569470	931657840	/nfs/dbraw/zinc/65/78/40/931657840.db2.gz	ZOVULWBJTMMESA-UGKGYDQZSA-N	1	0	367.493	1.885	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(C)C)C1	ZINC001112570012	931663772	/nfs/dbraw/zinc/66/37/72/931663772.db2.gz	ZDQRWIUEWGYSRK-UGKGYDQZSA-N	1	0	367.493	1.517	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CN(C(C)=O)CCO1)C2	ZINC001112572145	931666188	/nfs/dbraw/zinc/66/61/88/931666188.db2.gz	HEEKTGODLWIAEK-BJLQDIEVSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c[nH]c(C(N)=O)c1)C2	ZINC001112579216	931741296	/nfs/dbraw/zinc/74/12/96/931741296.db2.gz	CDPMDBIRHASLCC-GUYCJALGSA-N	1	0	350.850	1.698	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)NC(=O)C1CCCCC1)C2	ZINC001112584142	931782159	/nfs/dbraw/zinc/78/21/59/931782159.db2.gz	CPWBBPXWSLTFIO-MDKPJZGXSA-N	1	0	359.514	1.923	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2csnn2)C1	ZINC001112588496	931797725	/nfs/dbraw/zinc/79/77/25/931797725.db2.gz	BUOXPEOGOYNBSU-YOEHRIQHSA-N	1	0	350.488	1.849	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ncnn2CC)C1	ZINC001112589325	931802561	/nfs/dbraw/zinc/80/25/61/931802561.db2.gz	UNBMMDZLRACOQK-GJYPPUQNSA-N	1	0	361.490	1.607	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCCC)C1	ZINC001112589344	931802862	/nfs/dbraw/zinc/80/28/62/931802862.db2.gz	VLIZPFIEVQESAI-GJYPPUQNSA-N	1	0	351.491	1.322	20	30		FDEDRO
N#Cc1cnnc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)c1	ZINC001170066346	932126963	/nfs/dbraw/zinc/12/69/63/932126963.db2.gz	MSPKATMBUGKYOP-UHFFFAOYSA-N	1	0	354.395	1.050	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000787108094	932183798	/nfs/dbraw/zinc/18/37/98/932183798.db2.gz	NUVPSGQUEJYTCG-WBVHZDCISA-N	1	0	351.491	1.607	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C	ZINC000787901697	932481544	/nfs/dbraw/zinc/48/15/44/932481544.db2.gz	CHLXSHHMFCMOCN-ZDUSSCGKSA-N	1	0	360.296	1.782	20	30		FDEDRO
COc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1C#N	ZINC000746730778	932585682	/nfs/dbraw/zinc/58/56/82/932585682.db2.gz	MOSFRRQJUHKRDI-QGZVFWFLSA-N	1	0	371.485	1.535	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)cc1	ZINC000788474339	932709226	/nfs/dbraw/zinc/70/92/26/932709226.db2.gz	YDQOLAWOWSENIZ-FUHWJXTLSA-N	1	0	356.426	1.467	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NC2CC[NH+](CC3CC3)CC2)n1	ZINC000788883722	932851141	/nfs/dbraw/zinc/85/11/41/932851141.db2.gz	MLWADCXIOCCCQI-UHFFFAOYSA-N	1	0	373.501	1.549	20	30		FDEDRO
NC(=O)c1cc2c([nH]c1=O)CCCC2=[NH+]n1cc(Br)cn1	ZINC000789035099	932921048	/nfs/dbraw/zinc/92/10/48/932921048.db2.gz	XHVBJHKTTXZILS-UHFFFAOYSA-N	1	0	350.176	1.434	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(=O)Nc1ccc(C)cc1)C2	ZINC001110090951	933571121	/nfs/dbraw/zinc/57/11/21/933571121.db2.gz	ZSGHFBHAHZEAIB-SQNIBIBYSA-N	1	0	357.454	1.858	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)C1	ZINC001086591048	933721297	/nfs/dbraw/zinc/72/12/97/933721297.db2.gz	QQXPPQRFVVRCNH-HYVNUMGLSA-N	1	0	355.438	1.294	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2cnn(C)c2C)C1	ZINC001086591944	933796699	/nfs/dbraw/zinc/79/66/99/933796699.db2.gz	NMPHEDHCEKSWBC-VQTJNVASSA-N	1	0	350.466	1.879	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1	ZINC001086593097	933832669	/nfs/dbraw/zinc/83/26/69/933832669.db2.gz	AZBNWJSZZWVPPU-FUHWJXTLSA-N	1	0	352.438	1.554	20	30		FDEDRO
C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnc3n2CCOC3)C1	ZINC001086593589	933864517	/nfs/dbraw/zinc/86/45/17/933864517.db2.gz	FJUKGAOSLUPCBR-DLBZAZTESA-N	1	0	352.438	1.797	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@]2(C)CCNC(=O)C2)C1	ZINC001086594884	933869923	/nfs/dbraw/zinc/86/99/23/933869923.db2.gz	YYCAEIMYOOUGHD-WAOWUJCRSA-N	1	0	353.466	1.510	20	30		FDEDRO
N#CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1	ZINC001086600616	934092066	/nfs/dbraw/zinc/09/20/66/934092066.db2.gz	FFICRFZDQNIYJS-ZCNNSNEGSA-N	1	0	352.482	1.969	20	30		FDEDRO
COc1cc(C(C)=NNCC[NH+]2CCCCC2)ccc1S(C)(=O)=O	ZINC000747047951	934200868	/nfs/dbraw/zinc/20/08/68/934200868.db2.gz	OBGDSJHRRKWYES-UHFFFAOYSA-N	1	0	353.488	1.898	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C(=O)N2CC[C@H](C)C2)C1	ZINC001086618644	938349881	/nfs/dbraw/zinc/34/98/81/938349881.db2.gz	CZGMWDODSHCFGH-YTQUADARSA-N	1	0	353.466	1.462	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](n2ccnn2)C1	ZINC001129396608	938402388	/nfs/dbraw/zinc/40/23/88/938402388.db2.gz	IJPYLWWVYAVWGJ-CABCVRRESA-N	1	0	354.886	1.104	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@](C)(OC)c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129397466	938402824	/nfs/dbraw/zinc/40/28/24/938402824.db2.gz	TZIVARPKQIXIBI-WSTZPKSXSA-N	1	0	369.469	1.758	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)Cc2[nH]cnc2C)[C@@H](n2ccnn2)C1	ZINC001129403516	938416609	/nfs/dbraw/zinc/41/66/09/938416609.db2.gz	ALWVBIKPMIJCTD-MSOLQXFVSA-N	1	0	371.489	1.640	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2ncccc2OC)[C@@H](n2ccnn2)C1	ZINC001129404121	938417089	/nfs/dbraw/zinc/41/70/89/938417089.db2.gz	LENAAJJBIQNOOC-CABCVRRESA-N	1	0	356.430	1.303	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](F)Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129453780	938420961	/nfs/dbraw/zinc/42/09/61/938420961.db2.gz	JEQKBYCBRMLCPJ-KSZLIROESA-N	1	0	357.433	1.777	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)COc2ccccc2OC)[C@@H](n2ccnn2)C1	ZINC001129438472	938425650	/nfs/dbraw/zinc/42/56/50/938425650.db2.gz	WAXYEUNGRJJTLL-CVEARBPZSA-N	1	0	371.441	1.283	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCCOC(C)C)C[C@@H]1n1ccnn1	ZINC001129481411	938434414	/nfs/dbraw/zinc/43/44/14/938434414.db2.gz	JTQFADLANXBPSY-BBWFWOEESA-N	1	0	365.478	1.026	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@@H]1n1ccnn1	ZINC001129482383	938434784	/nfs/dbraw/zinc/43/47/84/938434784.db2.gz	VJLHSAUWFRFZPO-NXHRZFHOSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)OC)C[C@@H]2n2ccnn2)CCCC1	ZINC001129490823	938442207	/nfs/dbraw/zinc/44/22/07/938442207.db2.gz	PSRUIYMSJFIEOA-ZACQAIPSSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(CC)n[nH]2)C[C@@H]1n1ccnn1	ZINC001129598377	938461627	/nfs/dbraw/zinc/46/16/27/938461627.db2.gz	ITYFWONUNJLJOK-XYPHTWIQSA-N	1	0	357.462	1.574	20	30		FDEDRO
CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129618998	938470756	/nfs/dbraw/zinc/47/07/56/938470756.db2.gz	ZAPMGFZBOXACIA-QRQLOZEOSA-N	1	0	367.453	1.096	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)c2cc(C)n[nH]2)C[C@@H]1n1ccnn1	ZINC001129624300	938471869	/nfs/dbraw/zinc/47/18/69/938471869.db2.gz	HQLDQERJSXPEFH-SJORKVTESA-N	1	0	359.478	1.935	20	30		FDEDRO
COCCCC(=O)N1C[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@@H](n2ccnn2)C1	ZINC001129664726	938477901	/nfs/dbraw/zinc/47/79/01/938477901.db2.gz	PTBOKWZDMVENCO-MSOLQXFVSA-N	1	0	368.441	1.118	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]Cc2cnn(C(C)(C)C)c2)[C@@H](n2ccnn2)C1	ZINC001129667405	938478558	/nfs/dbraw/zinc/47/85/58/938478558.db2.gz	USXAFHQRQXVIRI-SJORKVTESA-N	1	0	371.489	1.738	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCOC2)C[C@@H]1n1ccnn1	ZINC001129675327	938490280	/nfs/dbraw/zinc/49/02/80/938490280.db2.gz	LZJRNAPAMVTOCH-KURKYZTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]CC/C=C\c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129677995	938491148	/nfs/dbraw/zinc/49/11/48/938491148.db2.gz	RHDSDPMLHLYIJM-XJMUNSAGSA-N	1	0	364.453	1.883	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H]([NH2+]C[C@@H](F)CC)[C@@H](n2ccnn2)C1	ZINC001129733563	938496440	/nfs/dbraw/zinc/49/64/40/938496440.db2.gz	YBXIAJUPKSHVLZ-XHSDSOJGSA-N	1	0	353.442	1.351	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H]([NH2+]Cc2cnccc2C)[C@@H](n2ccnn2)C1	ZINC001129756806	938501573	/nfs/dbraw/zinc/50/15/73/938501573.db2.gz	IXLIRCWKMLIGCQ-MOPGFXCFSA-N	1	0	366.469	1.717	20	30		FDEDRO
N#Cc1cc(C(=O)N2C[C@@H]([NH2+]CCCC3CCC3)[C@@H](n3ccnn3)C2)c[nH]1	ZINC001129762232	938503121	/nfs/dbraw/zinc/50/31/21/938503121.db2.gz	JVABZALEANRZHT-MSOLQXFVSA-N	1	0	367.457	1.713	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC2(OC)CCC2)C[C@@H]1n1ccnn1	ZINC001129791403	938508035	/nfs/dbraw/zinc/50/80/35/938508035.db2.gz	CLADZYUEKSJRMT-ZACQAIPSSA-N	1	0	361.490	1.934	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)C[C@@](C)(O)C=C)C[C@@H]1n1ccnn1	ZINC001129795107	938508917	/nfs/dbraw/zinc/50/89/17/938508917.db2.gz	BAFBDCPLNKIALI-AOIWGVFYSA-N	1	0	361.490	1.693	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cccc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129829289	938523647	/nfs/dbraw/zinc/52/36/47/938523647.db2.gz	FHEZSVMBXYXWGT-QRQLOZEOSA-N	1	0	367.453	1.167	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2nc(C(C)C)oc2C)C[C@@H]1n1ccnn1	ZINC001129830099	938523958	/nfs/dbraw/zinc/52/39/58/938523958.db2.gz	UQBIDVLCUBFLRR-CABCVRRESA-N	1	0	358.446	1.929	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3cn[nH]c32)C[C@@H]1n1ccnn1	ZINC001129858426	938530178	/nfs/dbraw/zinc/53/01/78/938530178.db2.gz	VXYBTLLNLNDLJY-OAGGEKHMSA-N	1	0	355.446	1.039	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCc3nncn3C2)C1	ZINC001086625695	938533706	/nfs/dbraw/zinc/53/37/06/938533706.db2.gz	RTHCSBRUESNNHL-CEXWTWQISA-N	1	0	363.465	1.448	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H]([NH2+][C@H](C)c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129838037	938534934	/nfs/dbraw/zinc/53/49/34/938534934.db2.gz	POGAKCUTCYUJBZ-QRQLOZEOSA-N	1	0	367.453	1.421	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n2ccnn2)C1)OCC	ZINC001129879196	938536534	/nfs/dbraw/zinc/53/65/34/938536534.db2.gz	WVIQXIKXDSUQKU-OMJOCJKRSA-N	1	0	367.881	1.743	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2cccc(F)c2)C[C@@H]1n1ccnn1	ZINC001129866716	938543627	/nfs/dbraw/zinc/54/36/27/938543627.db2.gz	HYDHUNMABLTCML-QGTPRVQTSA-N	1	0	371.416	1.250	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cc(C)nc(C)c2)C[C@@H]1n1ccnn1	ZINC001129871425	938544837	/nfs/dbraw/zinc/54/48/37/938544837.db2.gz	JJIFJYZUPRWGFP-MSOLQXFVSA-N	1	0	370.457	1.148	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cccc3n[nH]nc32)C[C@@H]1n1ccnn1	ZINC001129871664	938544842	/nfs/dbraw/zinc/54/48/42/938544842.db2.gz	KRQHNZXNGVAHBL-CVEARBPZSA-N	1	0	366.429	1.171	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c(F)cncc2F)C[C@@H]1n1ccnn1	ZINC001129876219	938546496	/nfs/dbraw/zinc/54/64/96/938546496.db2.gz	FQBVFYBHVKZZTC-CABCVRRESA-N	1	0	362.384	1.573	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccccc2CC)C[C@@H]1n1ccnn1	ZINC001129904847	938547960	/nfs/dbraw/zinc/54/79/60/938547960.db2.gz	MNVHGMWOPVAVIF-MOPGFXCFSA-N	1	0	351.454	1.448	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2c(C)noc2C)C[C@@H]1n1ccnn1	ZINC001129914654	938552645	/nfs/dbraw/zinc/55/26/45/938552645.db2.gz	ARQVNDPAUVYNPI-XKQJLSEDSA-N	1	0	370.457	1.442	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cccn2CC=C)C[C@@H]1n1ccnn1	ZINC001129894394	938555712	/nfs/dbraw/zinc/55/57/12/938555712.db2.gz	FDPIRLYCTTYDCD-AEFFLSMTSA-N	1	0	354.458	1.887	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(Cc3ccccc3)CC2)C[C@@H]1n1ccnn1	ZINC001129895631	938556954	/nfs/dbraw/zinc/55/69/54/938556954.db2.gz	GIIYWQVBPHBUPZ-MOPGFXCFSA-N	1	0	363.465	1.666	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2sc3nccn3c2C)C[C@@H]1n1ccnn1	ZINC001129895514	938556985	/nfs/dbraw/zinc/55/69/85/938556985.db2.gz	BBEBQTLVWZMXTB-KGLIPLIRSA-N	1	0	371.470	1.527	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cncc(Cl)c2C)C[C@@H]1n1ccnn1	ZINC001129899631	938559183	/nfs/dbraw/zinc/55/91/83/938559183.db2.gz	COZHFLGCBLDLMM-CVEARBPZSA-N	1	0	360.849	1.866	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)n2ccnc2)C[C@@H]1n1ccnn1	ZINC001129902568	938561714	/nfs/dbraw/zinc/56/17/14/938561714.db2.gz	SNFMETSYBPDSSU-KURKYZTESA-N	1	0	369.473	1.127	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2onc3c2CCCC3)C[C@@H]1n1ccnn1	ZINC001129934199	938563176	/nfs/dbraw/zinc/56/31/76/938563176.db2.gz	UJXQOIFFKRUKBB-CVEARBPZSA-N	1	0	356.430	1.376	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)nc2C)C[C@@H]1n1ccnn1	ZINC001129937624	938564572	/nfs/dbraw/zinc/56/45/72/938564572.db2.gz	BXTMOWAFBRIIBU-SJORKVTESA-N	1	0	352.442	1.277	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2ccc(=O)[nH]c2)C[C@@H]1n1ccnn1	ZINC001129939584	938565526	/nfs/dbraw/zinc/56/55/26/938565526.db2.gz	LJOXUWOWZDBACD-UAGQMJEPSA-N	1	0	370.457	1.318	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2CC)C[C@@H]1n1ccnn1	ZINC001129919376	938567917	/nfs/dbraw/zinc/56/79/17/938567917.db2.gz	VTEHZDFZAUOBEC-MSOLQXFVSA-N	1	0	371.489	1.965	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2c(C)cccc2Cl)C[C@@H]1n1ccnn1	ZINC001129923694	938569475	/nfs/dbraw/zinc/56/94/75/938569475.db2.gz	QSUFARQLMQRTKG-MSOLQXFVSA-N	1	0	371.872	1.847	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc3c(cn2)CCCC3)C[C@@H]1n1ccnn1	ZINC001129927284	938571672	/nfs/dbraw/zinc/57/16/72/938571672.db2.gz	UBBROYAYFCVZIU-MOPGFXCFSA-N	1	0	366.469	1.783	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3[nH]ccc3n2)C[C@@H]1n1ccnn1	ZINC001129930471	938573033	/nfs/dbraw/zinc/57/30/33/938573033.db2.gz	JFKOMKCUKBKCQK-SJORKVTESA-N	1	0	351.414	1.386	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2csnn2)C[C@@H]1n1ccnn1	ZINC001129948880	938573584	/nfs/dbraw/zinc/57/35/84/938573584.db2.gz	DVSXHCCLWKRWMU-HIFRSBDPSA-N	1	0	361.475	1.531	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2c(C)nn(C)c2C)C[C@@H]1n1ccnn1	ZINC001129949146	938574122	/nfs/dbraw/zinc/57/41/22/938574122.db2.gz	QVTGWKGWNWUWEZ-XKQJLSEDSA-N	1	0	371.489	1.638	20	30		FDEDRO
CC1(C(=O)N2C[C@@H]([NH2+]CC#Cc3ccccc3)[C@@H](n3ccnn3)C2)CCC1	ZINC001129959258	938577953	/nfs/dbraw/zinc/57/79/53/938577953.db2.gz	ONWMJXQGWKSNRD-MOPGFXCFSA-N	1	0	363.465	1.862	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2c(C)cnn2C)C[C@@H]1n1ccnn1	ZINC001129963987	938579541	/nfs/dbraw/zinc/57/95/41/938579541.db2.gz	QBTDWIPDUKPGDD-SJORKVTESA-N	1	0	371.489	1.722	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(C)c(C)cn2)C[C@@H]1n1ccnn1	ZINC001129945550	938580847	/nfs/dbraw/zinc/58/08/47/938580847.db2.gz	QFTAIXQBKFLMRU-MSOLQXFVSA-N	1	0	354.458	1.911	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2ccc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001129947557	938582013	/nfs/dbraw/zinc/58/20/13/938582013.db2.gz	FUWUNSZGKFBTKR-UXHICEINSA-N	1	0	365.481	1.893	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@@H]1n1ccnn1	ZINC001129978130	938593712	/nfs/dbraw/zinc/59/37/12/938593712.db2.gz	RURGDZRBPDTEPH-RYRKJORJSA-N	1	0	367.469	1.719	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2ccnn2C)[C@@H](n2ccnn2)C1	ZINC001129978115	938593734	/nfs/dbraw/zinc/59/37/34/938593734.db2.gz	QXWXNSNRDKAYDN-UAGQMJEPSA-N	1	0	357.462	1.156	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H]([NH2+]CC2CCOCC2)[C@@H](n2ccnn2)C1	ZINC001129976575	938600932	/nfs/dbraw/zinc/60/09/32/938600932.db2.gz	RFYHFLYXCRBSAB-NXHRZFHOSA-N	1	0	361.490	1.649	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]([NH2+]Cc3ccnn3C)[C@@H](n3ccnn3)C2)CCC1	ZINC001129995997	938604766	/nfs/dbraw/zinc/60/47/66/938604766.db2.gz	WIHPMPHLWNAOEQ-SJORKVTESA-N	1	0	369.473	1.300	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cc2C)C[C@@H]1n1ccnn1	ZINC001130000921	938608340	/nfs/dbraw/zinc/60/83/40/938608340.db2.gz	WIBAFMCORIOAAD-CVEARBPZSA-N	1	0	356.430	1.309	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC(F)(F)C2)C[C@@H]1n1ccnn1	ZINC001130002734	938609228	/nfs/dbraw/zinc/60/92/28/938609228.db2.gz	PONBRBPDCPXQGO-ZNMIVQPWSA-N	1	0	351.401	1.468	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]([NH2+]CCOCC2CCC2)[C@@H](n2ccnn2)C1	ZINC001129986453	938609801	/nfs/dbraw/zinc/60/98/01/938609801.db2.gz	ADFPVDOZNDDEJC-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]([NH2+]Cc2cnccc2C)[C@@H](n2ccnn2)C1	ZINC001129986931	938610049	/nfs/dbraw/zinc/61/00/49/938610049.db2.gz	RHNRMNFJOZZMNY-MSOLQXFVSA-N	1	0	354.458	1.880	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(Cl)c(C)c2)C[C@@H]1n1ccnn1	ZINC001129992132	938613753	/nfs/dbraw/zinc/61/37/53/938613753.db2.gz	MLNQIGDVFIPAIV-SJORKVTESA-N	1	0	357.845	1.919	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@@H]1n1ccnn1	ZINC001130014123	938615114	/nfs/dbraw/zinc/61/51/14/938615114.db2.gz	BXTWOXLLUMNQQN-OLZOCXBDSA-N	1	0	357.380	1.928	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCc2ccncc2)C[C@@H]1n1ccnn1	ZINC001130014914	938616308	/nfs/dbraw/zinc/61/63/08/938616308.db2.gz	GZSQEHCBEZZYKQ-JQHSSLGASA-N	1	0	370.457	1.196	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(Cl)c(F)c2)C[C@@H]1n1ccnn1	ZINC001130015169	938616623	/nfs/dbraw/zinc/61/66/23/938616623.db2.gz	LTQZVLQIZZMHNM-CVEARBPZSA-N	1	0	361.808	1.749	20	30		FDEDRO
O=C([C@@H]1CC12CC2)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001130017388	938617746	/nfs/dbraw/zinc/61/77/46/938617746.db2.gz	GCKSXZJVRXKPQI-OTWHNJEPSA-N	1	0	361.449	1.471	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2conc2C2CC2)C[C@@H]1n1ccnn1	ZINC001130006061	938623344	/nfs/dbraw/zinc/62/33/44/938623344.db2.gz	RADYIJFUSAZQCM-CVEARBPZSA-N	1	0	356.430	1.765	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2csc(C(C)C)n2)C[C@@H]1n1ccnn1	ZINC001130040599	938627008	/nfs/dbraw/zinc/62/70/08/938627008.db2.gz	CGZSAELBFMIQGT-HIFRSBDPSA-N	1	0	358.471	1.537	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCn2ccnc2C)C[C@@H]1n1ccnn1	ZINC001130040888	938627180	/nfs/dbraw/zinc/62/71/80/938627180.db2.gz	QTBKSWZJPAVXFE-SJORKVTESA-N	1	0	357.462	1.181	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2csc(C(C)C)n2)C[C@@H]1n1ccnn1	ZINC001130040773	938627193	/nfs/dbraw/zinc/62/71/93/938627193.db2.gz	KYWWXSVZJMUWOZ-HIFRSBDPSA-N	1	0	358.471	1.537	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCCn2ccnc2C)C[C@@H]1n1ccnn1	ZINC001130040788	938627236	/nfs/dbraw/zinc/62/72/36/938627236.db2.gz	LODUBMSNZLDFIG-MSOLQXFVSA-N	1	0	371.489	1.571	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)OC2CCCC2)C[C@@H]1n1ccnn1	ZINC001130024552	938628457	/nfs/dbraw/zinc/62/84/57/938628457.db2.gz	WKCGDMYMTKEJNI-FGTMMUONSA-N	1	0	361.490	1.934	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCCCO2)C[C@@H]1n1ccnn1	ZINC001130026443	938629470	/nfs/dbraw/zinc/62/94/70/938629470.db2.gz	QINNABRIYFUENS-KURKYZTESA-N	1	0	361.490	1.935	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2cccnc2)C[C@@H]1n1ccnn1	ZINC001130027959	938630088	/nfs/dbraw/zinc/63/00/88/938630088.db2.gz	DSVPMMKRKMGCKN-NXHRZFHOSA-N	1	0	352.442	1.232	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCO[C@H]2C(=C)C)C[C@@H]1n1ccnn1	ZINC001130034425	938634659	/nfs/dbraw/zinc/63/46/59/938634659.db2.gz	OWUZPQKOBZZYEK-MHORFTMASA-N	1	0	359.474	1.567	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc3nc[nH]c32)C[C@@H]1n1ccnn1	ZINC001130050142	938637047	/nfs/dbraw/zinc/63/70/47/938637047.db2.gz	KVBBEMXSTYKANC-CVEARBPZSA-N	1	0	351.414	1.386	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cccnn2)C[C@@H]1n1ccnn1	ZINC001130050098	938648507	/nfs/dbraw/zinc/64/85/07/938648507.db2.gz	JBKHJXOEXDUCOQ-SJORKVTESA-N	1	0	355.446	1.470	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(CC)nn2C)C[C@@H]1n1ccnn1	ZINC001130059618	938648678	/nfs/dbraw/zinc/64/86/78/938648678.db2.gz	SLCZTYZNMCURFC-KYJSFNMBSA-N	1	0	371.489	1.584	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCCc2cccnc2)C[C@@H]1n1ccnn1	ZINC001130065078	938652203	/nfs/dbraw/zinc/65/22/03/938652203.db2.gz	ABQMACXWEUOKCZ-MSOLQXFVSA-N	1	0	352.442	1.061	20	30		FDEDRO
C#C[C@H](NC(=O)NC[C@H]1C[N@@H+](C)CCN1C)c1ccc(Cl)cc1F	ZINC000805102613	938661947	/nfs/dbraw/zinc/66/19/47/938661947.db2.gz	PCSSFCQCEOIYMT-BBRMVZONSA-N	1	0	352.841	1.698	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3n[nH]cc3C2)C[C@@H]1n1ccnn1	ZINC001130083693	938664970	/nfs/dbraw/zinc/66/49/70/938664970.db2.gz	GAOPIKVARYLIIN-OLMNPRSZSA-N	1	0	369.473	1.114	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)CC(F)(F)F)C[C@@H]1n1ccnn1	ZINC001130074533	938668886	/nfs/dbraw/zinc/66/88/86/938668886.db2.gz	ABYAHZKYJDAQHE-OLZOCXBDSA-N	1	0	357.380	1.622	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cn(CCCC)nc2C)C[C@@H]1n1ccnn1	ZINC001130077310	938670286	/nfs/dbraw/zinc/67/02/86/938670286.db2.gz	BWQOTULHYVZWCC-MSOLQXFVSA-N	1	0	369.473	1.262	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(CC)on2)C[C@@H]1n1ccnn1	ZINC001130091129	938676496	/nfs/dbraw/zinc/67/64/96/938676496.db2.gz	BSLVDLFSESIIKZ-XYPHTWIQSA-N	1	0	358.446	1.839	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2nn(C)c3ccccc32)C[C@@H]1n1ccnn1	ZINC001130094656	938679405	/nfs/dbraw/zinc/67/94/05/938679405.db2.gz	OPZREWJOSSVWNA-WBVHZDCISA-N	1	0	365.441	1.396	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3nc(C)ccc3o2)C[C@@H]1n1ccnn1	ZINC001130097047	938681288	/nfs/dbraw/zinc/68/12/88/938681288.db2.gz	ZLZSRAJYVPHDJK-CVEARBPZSA-N	1	0	364.409	1.406	20	30		FDEDRO
CCCCCCCCC(=O)N1C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n2ccnn2)C1	ZINC001130099365	938681889	/nfs/dbraw/zinc/68/18/89/938681889.db2.gz	CRDVHHZDTDXMHA-XHSDSOJGSA-N	1	0	364.494	1.244	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3[nH]ccc3s2)C[C@@H]1n1ccnn1	ZINC001130105085	938685967	/nfs/dbraw/zinc/68/59/67/938685967.db2.gz	JXIUKUNLQVJQQG-KGLIPLIRSA-N	1	0	354.439	1.500	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(C)n(C)nc2Cl)C[C@@H]1n1ccnn1	ZINC001130109622	938688474	/nfs/dbraw/zinc/68/84/74/938688474.db2.gz	DDDVWEHOWYGTFD-OLZOCXBDSA-N	1	0	363.853	1.205	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3ccc(Cl)cc32)C[C@@H]1n1ccnn1	ZINC001130110031	938688933	/nfs/dbraw/zinc/68/89/33/938688933.db2.gz	QNCXFNCYAQTXOK-KURKYZTESA-N	1	0	369.856	1.636	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](OC)C2CCCC2)C[C@@H]1n1ccnn1	ZINC001130110060	938688942	/nfs/dbraw/zinc/68/89/42/938688942.db2.gz	RWYJCOBPEITAGX-FGTMMUONSA-N	1	0	361.490	1.791	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COc2cccc(CC)c2)C[C@@H]1n1ccnn1	ZINC001130112959	938692885	/nfs/dbraw/zinc/69/28/85/938692885.db2.gz	WCOKVEAOFPQAMK-MOPGFXCFSA-N	1	0	367.453	1.284	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2csc(C)n2)C[C@@H]1n1ccnn1	ZINC001130115131	938694647	/nfs/dbraw/zinc/69/46/47/938694647.db2.gz	VPVBYLOLIVVEPB-CVEARBPZSA-N	1	0	360.487	1.593	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2nc(C)c(C)s2)C[C@@H]1n1ccnn1	ZINC001130127869	938697543	/nfs/dbraw/zinc/69/75/43/938697543.db2.gz	MTXYKLOCFCJQAU-CABCVRRESA-N	1	0	360.487	1.973	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cccc(F)c2)C[C@@H]1n1ccnn1	ZINC001130129632	938699246	/nfs/dbraw/zinc/69/92/46/938699246.db2.gz	QADJSCKSFFYTQP-OLMNPRSZSA-N	1	0	355.417	1.586	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COc2ccccc2OC)C[C@@H]1n1ccnn1	ZINC001130123600	938705619	/nfs/dbraw/zinc/70/56/19/938705619.db2.gz	VLBKZFAZHYKPHU-CVEARBPZSA-N	1	0	371.441	1.283	20	30		FDEDRO
C=CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1)c1ccccc1	ZINC001130132625	938707387	/nfs/dbraw/zinc/70/73/87/938707387.db2.gz	ISTHORXQJKXDLT-QRVBRYPASA-N	1	0	369.469	1.362	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CN(CC)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130137138	938710119	/nfs/dbraw/zinc/71/01/19/938710119.db2.gz	KYQLCWQXHMSJFU-MOPGFXCFSA-N	1	0	366.469	1.169	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C23CC(C(F)(F)F)(C2)C3)C[C@@H]1n1ccnn1	ZINC001130139816	938711658	/nfs/dbraw/zinc/71/16/58/938711658.db2.gz	IUDFJBAATKVBPN-SQHUISNBSA-N	1	0	367.375	1.376	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cccc(OC)c2)C[C@@H]1n1ccnn1	ZINC001130139530	938711735	/nfs/dbraw/zinc/71/17/35/938711735.db2.gz	CADUMEDKSCOFIC-LZQZEXGQSA-N	1	0	367.453	1.455	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2(c3cccc(C)c3)CC2)C[C@@H]1n1ccnn1	ZINC001130140307	938712031	/nfs/dbraw/zinc/71/20/31/938712031.db2.gz	UWYPDWGUFAGHDZ-MOPGFXCFSA-N	1	0	363.465	1.683	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C23CC(C(F)(F)F)(C2)C3)C[C@@H]1n1ccnn1	ZINC001130140392	938712380	/nfs/dbraw/zinc/71/23/80/938712380.db2.gz	XXDPPCWWXJGNLU-SQHUISNBSA-N	1	0	367.375	1.376	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2ccccc2C)C[C@@H]1n1ccnn1	ZINC001130143035	938714147	/nfs/dbraw/zinc/71/41/47/938714147.db2.gz	LONPNWTWSHDGSF-QRQLOZEOSA-N	1	0	351.454	1.755	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CC2CC(C)(C)C2)[C@@H](n2ccnn2)C1	ZINC001130151371	938715987	/nfs/dbraw/zinc/71/59/87/938715987.db2.gz	OKTYXSXHEXOFLE-OIISXLGYSA-N	1	0	361.490	1.647	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n2ccnn2)C1	ZINC001130151458	938716016	/nfs/dbraw/zinc/71/60/16/938716016.db2.gz	ROOPBRLWHHCLQH-UPJWGTAASA-N	1	0	361.368	1.163	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cccnc2C)[C@@H](n2ccnn2)C1	ZINC001130151621	938716294	/nfs/dbraw/zinc/71/62/94/938716294.db2.gz	ZVWBFURYIUJZJX-NXHRZFHOSA-N	1	0	370.457	1.114	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2(c3ccccc3C)CC2)C[C@@H]1n1ccnn1	ZINC001130153562	938717505	/nfs/dbraw/zinc/71/75/05/938717505.db2.gz	YYSSHCMKYGDPFT-MOPGFXCFSA-N	1	0	363.465	1.683	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccccc2N(C)C)C[C@@H]1n1ccnn1	ZINC001130155444	938718425	/nfs/dbraw/zinc/71/84/25/938718425.db2.gz	HHFAMSMDPJVPPA-AEFFLSMTSA-N	1	0	354.458	1.576	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(CC)n(C)n2)C[C@@H]1n1ccnn1	ZINC001130155346	938718441	/nfs/dbraw/zinc/71/84/41/938718441.db2.gz	BKCNBLQIYGJQCD-SJORKVTESA-N	1	0	357.462	1.196	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](OC)c2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001130158629	938720204	/nfs/dbraw/zinc/72/02/04/938720204.db2.gz	OUIYWNLWSINHSN-SQNIBIBYSA-N	1	0	371.416	1.170	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(OC(C)C)cn2)C[C@@H]1n1ccnn1	ZINC001130158992	938720533	/nfs/dbraw/zinc/72/05/33/938720533.db2.gz	XCOUZMNSMUUJCK-MSOLQXFVSA-N	1	0	368.441	1.139	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](OC)C2CCCCC2)C[C@@H]1n1ccnn1	ZINC001130161564	938721734	/nfs/dbraw/zinc/72/17/34/938721734.db2.gz	ZKXOOUGHYRUMHN-FGTMMUONSA-N	1	0	359.474	1.238	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]([NH2+]CCCOC)[C@@H](n3ccnn3)C2)CCCC1	ZINC001130163340	938722060	/nfs/dbraw/zinc/72/20/60/938722060.db2.gz	GTYIZCKMNBUMJE-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=C(C)C2CC2)[nH]1	ZINC001130186398	938731946	/nfs/dbraw/zinc/73/19/46/938731946.db2.gz	BGJKMGCCZKWLOP-TZCWYCDXSA-N	1	0	359.474	1.815	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)CC)[nH]1	ZINC001130186848	938732665	/nfs/dbraw/zinc/73/26/65/938732665.db2.gz	OFHOGTWFPOFNBQ-ILXRZTDVSA-N	1	0	365.478	1.132	20	30		FDEDRO
C=CCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCC[C@H](C)O)[nH]1	ZINC001130192937	938737473	/nfs/dbraw/zinc/73/74/73/938737473.db2.gz	BNTMKHAYQPPVKB-KKUMJFAQSA-N	1	0	365.478	1.010	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CCCCCC2)n1	ZINC001130193313	938738079	/nfs/dbraw/zinc/73/80/79/938738079.db2.gz	RHTYSGLECPWRAS-HOTGVXAUSA-N	1	0	359.474	1.487	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc[nH]c2C)[nH]1	ZINC001130195911	938739062	/nfs/dbraw/zinc/73/90/62/938739062.db2.gz	IJFDXMGQTCCXQM-GJZGRUSLSA-N	1	0	358.446	1.409	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)[nH]1	ZINC001130198657	938740869	/nfs/dbraw/zinc/74/08/69/938740869.db2.gz	UBIWYRQYVWWSOJ-ULQWZQFMSA-N	1	0	371.485	1.343	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccoc2)[nH]1	ZINC001130183173	938742468	/nfs/dbraw/zinc/74/24/68/938742468.db2.gz	UIFBSQNYUDSFGZ-GJZGRUSLSA-N	1	0	359.430	1.756	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccoc2C)[nH]1	ZINC001130183171	938742495	/nfs/dbraw/zinc/74/24/95/938742495.db2.gz	UCXCURXIENPUMP-GJZGRUSLSA-N	1	0	357.414	1.122	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC=CCC2)[nH]1	ZINC001130183091	938742538	/nfs/dbraw/zinc/74/25/38/938742538.db2.gz	PJVZSWIDRJEOET-PMPSAXMXSA-N	1	0	359.474	1.815	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](CC)CCCC)n1	ZINC001130185008	938744041	/nfs/dbraw/zinc/74/40/41/938744041.db2.gz	RLOQLEPVSBTXKD-JYJNAYRXSA-N	1	0	361.490	1.733	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=Cc2ccc[nH]2)[nH]1	ZINC001130204747	938745828	/nfs/dbraw/zinc/74/58/28/938745828.db2.gz	IYJLJHDTHFDYKW-KQLNYGGHSA-N	1	0	370.457	1.501	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2coc(C)c2)[nH]1	ZINC001130205353	938746004	/nfs/dbraw/zinc/74/60/04/938746004.db2.gz	XKNIAOAMTABVLF-GJZGRUSLSA-N	1	0	359.430	1.674	20	30		FDEDRO
CC(C)C#CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CCC2)[nH]1	ZINC001130209481	938747640	/nfs/dbraw/zinc/74/76/40/938747640.db2.gz	CFWMUQSMILNGNE-HOTGVXAUSA-N	1	0	359.474	1.343	20	30		FDEDRO
C#CCC1(C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CC3CC3)[nH]2)CCC1	ZINC001130215772	938751949	/nfs/dbraw/zinc/75/19/49/938751949.db2.gz	FMBJDZAHVZHENL-HOTGVXAUSA-N	1	0	371.485	1.487	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCCCO2)[nH]1	ZINC001130200851	938754388	/nfs/dbraw/zinc/75/43/88/938754388.db2.gz	YGXOISFPJAVASD-ZNMIVQPWSA-N	1	0	363.462	1.028	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC2(C)CC2)n1	ZINC001130224818	938758905	/nfs/dbraw/zinc/75/89/05/938758905.db2.gz	CWVGDDSLNOWGSX-STQMWFEESA-N	1	0	367.881	1.826	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@]23C[C@@H]2CCCC3)n1	ZINC001130240061	938759802	/nfs/dbraw/zinc/75/98/02/938759802.db2.gz	GRLAXNCRFVHUNH-ULMVMLMRSA-N	1	0	371.485	1.487	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cnco2)[nH]1	ZINC001130225268	938759807	/nfs/dbraw/zinc/75/98/07/938759807.db2.gz	ZMLWAFZOCHMGAK-STQMWFEESA-N	1	0	360.418	1.151	20	30		FDEDRO
C=C/C(C)=C\CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC#CC)n[nH]1	ZINC001130227599	938761329	/nfs/dbraw/zinc/76/13/29/938761329.db2.gz	GIIWYFDYYSCQOJ-BKZJWICZSA-N	1	0	357.458	1.429	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](F)C(C)C)[nH]1	ZINC001130227634	938761485	/nfs/dbraw/zinc/76/14/85/938761485.db2.gz	IHLPHVJAUFSDFA-DZKIICNBSA-N	1	0	367.469	1.843	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@]2(C)C=CCC2)[nH]1	ZINC001130227684	938761656	/nfs/dbraw/zinc/76/16/56/938761656.db2.gz	KCIGHKBMIXKUGA-DOXZYTNZSA-N	1	0	359.474	1.815	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)n1	ZINC001130230181	938763922	/nfs/dbraw/zinc/76/39/22/938763922.db2.gz	QCVJWBVUDDZWIU-QEOTZNIISA-N	1	0	371.485	1.343	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccoc2C2CC2)[nH]1	ZINC001130232509	938765092	/nfs/dbraw/zinc/76/50/92/938765092.db2.gz	JKDSPKPJYLXACF-ZFWWWQNUSA-N	1	0	371.441	1.853	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2CC)[nH]1	ZINC001130237823	938767104	/nfs/dbraw/zinc/76/71/04/938767104.db2.gz	FZUGGEXVGYGSMY-QXSJWSMHSA-N	1	0	361.490	1.895	20	30		FDEDRO
C=CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C[C@H](F)CC)[nH]1	ZINC001130238028	938767501	/nfs/dbraw/zinc/76/75/01/938767501.db2.gz	POQNUSCLUVCYRY-ILXRZTDVSA-N	1	0	367.469	1.987	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2C2CCC2)[nH]1	ZINC001130242217	938769650	/nfs/dbraw/zinc/76/96/50/938769650.db2.gz	MEVRJMDENSUBJN-NXOAAHMSSA-N	1	0	371.485	1.343	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H](CC)C(C)C)n1	ZINC001130246699	938771675	/nfs/dbraw/zinc/77/16/75/938771675.db2.gz	NCOWQOTWQHHZRK-JYJNAYRXSA-N	1	0	361.490	1.589	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)c2ccccc2)[nH]1	ZINC001130246716	938772076	/nfs/dbraw/zinc/77/20/76/938772076.db2.gz	NJARHNBRAGEYQW-PVAVHDDUSA-N	1	0	369.469	1.873	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cccn2CC)n1	ZINC001130249262	938773518	/nfs/dbraw/zinc/77/35/18/938773518.db2.gz	UFMWKESZURNKFB-HOCLYGCPSA-N	1	0	370.457	1.042	20	30		FDEDRO
C=CCC[C@@H](C)[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COC)CC1	ZINC001130266876	938782923	/nfs/dbraw/zinc/78/29/23/938782923.db2.gz	VWXMUCBLFAKSMX-OGWOLHLISA-N	1	0	351.491	1.463	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)SC)CC1	ZINC001130274177	938786145	/nfs/dbraw/zinc/78/61/45/938786145.db2.gz	ACXBQHAKZZSDLL-UNEWFSDZSA-N	1	0	351.516	1.237	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)SC)CC1	ZINC001130274407	938786567	/nfs/dbraw/zinc/78/65/67/938786567.db2.gz	MLPLZUGYFPRQGL-UNEWFSDZSA-N	1	0	353.532	1.789	20	30		FDEDRO
C=CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)OC)CC1	ZINC001130276509	938787241	/nfs/dbraw/zinc/78/72/41/938787241.db2.gz	CWALCZHQBHUOQY-KYJSFNMBSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCOC(C)C)CC1	ZINC001130276606	938787548	/nfs/dbraw/zinc/78/75/48/938787548.db2.gz	HRMLDUUEXGGPEJ-XLIONFOSSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(C)(C)COC)CC1	ZINC001130292825	938796371	/nfs/dbraw/zinc/79/63/71/938796371.db2.gz	CXBCWHCULVJZLZ-WBVHZDCISA-N	1	0	351.491	1.320	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1	ZINC001130295617	938797924	/nfs/dbraw/zinc/79/79/24/938797924.db2.gz	KGRLQABFEVEJDD-APWZRJJASA-N	1	0	351.466	1.625	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC(C)(C)COC)CC1	ZINC001130299073	938799265	/nfs/dbraw/zinc/79/92/65/938799265.db2.gz	WCKYWMGYXJNJOK-APWZRJJASA-N	1	0	363.502	1.158	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCC=C)CC1	ZINC001130309560	938806622	/nfs/dbraw/zinc/80/66/22/938806622.db2.gz	UGYYFQRUSZTTSM-XLIONFOSSA-N	1	0	363.502	1.631	20	30		FDEDRO
N#C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)C1CC[NH+](C2CC2)CC1	ZINC000805927685	938855113	/nfs/dbraw/zinc/85/51/13/938855113.db2.gz	FSRZSDWXUDNHQS-QGZVFWFLSA-N	1	0	370.409	1.794	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1c1cn(C)cn1	ZINC001130480356	938875346	/nfs/dbraw/zinc/87/53/46/938875346.db2.gz	JQBSNXIUYQLBKT-FUHWJXTLSA-N	1	0	363.506	1.411	20	30		FDEDRO
Cn1cnc([C@@H]2CN(C(=O)CSCC#N)C[C@H]2[NH2+]C/C=C/Cl)c1	ZINC001130502380	938885146	/nfs/dbraw/zinc/88/51/46/938885146.db2.gz	JXQBNOZVRGTZAE-ZJRBINPNSA-N	1	0	353.879	1.313	20	30		FDEDRO
Cn1cnc([C@@H]2CN(C(=O)CSCC#N)C[C@H]2[NH2+]CC2CCCC2)c1	ZINC001130502189	938885176	/nfs/dbraw/zinc/88/51/76/938885176.db2.gz	BCMWATJEVJSHGT-DOTOQJQBSA-N	1	0	361.515	1.751	20	30		FDEDRO
CC[C@H](F)C[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@H]1c1cn(C)cn1	ZINC001130502608	938885502	/nfs/dbraw/zinc/88/55/02/938885502.db2.gz	UJCSEYGWUPTJOL-KCQAQPDRSA-N	1	0	353.467	1.309	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)OCC)C[C@H]1c1cn(C)cn1	ZINC001130525192	938891497	/nfs/dbraw/zinc/89/14/97/938891497.db2.gz	ZQORUSOZVWBUMX-JQHSSLGASA-N	1	0	364.490	1.322	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccns2)C1	ZINC001130590245	939896598	/nfs/dbraw/zinc/89/65/98/939896598.db2.gz	GGIRPZQGSQAJJO-DOTOQJQBSA-N	1	0	357.483	1.620	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccncc2)C[C@H]1c1cn(C)cn1	ZINC001130592884	939899857	/nfs/dbraw/zinc/89/98/57/939899857.db2.gz	JKVZSNOBYXGJPT-HLNWXESRSA-N	1	0	363.465	1.526	20	30		FDEDRO
CC[C@H](C[NH2+][C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1c1cn(C)cn1)OC	ZINC001130594655	939901747	/nfs/dbraw/zinc/90/17/47/939901747.db2.gz	TWSDSLHHQHWDMP-SOLBZPMBSA-N	1	0	360.502	1.779	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2C=C)C[C@H]1c1cn(C)cn1	ZINC001130596461	939903239	/nfs/dbraw/zinc/90/32/39/939903239.db2.gz	CHNBLLSZOUZKNX-JFRXWTBNSA-N	1	0	356.470	1.309	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2CC)C[C@H]1c1cn(C)cn1	ZINC001130611090	939908215	/nfs/dbraw/zinc/90/82/15/939908215.db2.gz	XLYPLAHTNLOFEX-KBXCAEBGSA-N	1	0	356.474	1.490	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2cnccc2C)C[C@H]1c1cn(C)cn1	ZINC001130611136	939908698	/nfs/dbraw/zinc/90/86/98/939908698.db2.gz	ZOFJRMOPVWCINA-PKOBYXMFSA-N	1	0	353.470	1.826	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2C=CCCC2)C[C@H]1c1cn(C)cn1	ZINC001130614860	939912337	/nfs/dbraw/zinc/91/23/37/939912337.db2.gz	FHPYZMGWPFAMMF-WSTZPKSXSA-N	1	0	370.497	1.700	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2cnn(C)c2C)C[C@H]1c1cn(C)cn1	ZINC001130604516	939916086	/nfs/dbraw/zinc/91/60/86/939916086.db2.gz	FOCBCQZEGIOWCN-PKOBYXMFSA-N	1	0	370.501	1.555	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCn2ccccc2=O)C[C@H]1c1cn(C)cn1	ZINC001130604990	939916372	/nfs/dbraw/zinc/91/63/72/939916372.db2.gz	UAXLBPVAELBAIV-FUHWJXTLSA-N	1	0	369.469	1.132	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccnc(C3CC3)c2)C[C@H]1c1cn(C)cn1	ZINC001130623540	939921658	/nfs/dbraw/zinc/92/16/58/939921658.db2.gz	DAWYOFAXHSAROA-FXAWDEMLSA-N	1	0	363.465	1.914	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc3nccn32)C[C@H]1c1cn(C)cn1	ZINC001130626376	939924005	/nfs/dbraw/zinc/92/40/05/939924005.db2.gz	LMYQHQOANOQERI-DOTOQJQBSA-N	1	0	362.437	1.289	20	30		FDEDRO
CCc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC#CCOC)C2)o1	ZINC001130616884	939928294	/nfs/dbraw/zinc/92/82/94/939928294.db2.gz	HFHNCIJHDZZAME-FUHWJXTLSA-N	1	0	370.453	1.423	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cncc(OC)c2C)C[C@H]1c1cn(C)cn1	ZINC001130616893	939928322	/nfs/dbraw/zinc/92/83/22/939928322.db2.gz	HSTKKHVWYHHEOG-FUHWJXTLSA-N	1	0	369.469	1.906	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)CC(F)F)C[C@H]1c1cn(C)cn1	ZINC001130632616	939936024	/nfs/dbraw/zinc/93/60/24/939936024.db2.gz	JKHYBSDBHMPFPO-IJEWVQPXSA-N	1	0	368.428	1.245	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCCF)C2)cc1	ZINC001130637884	939939982	/nfs/dbraw/zinc/93/99/82/939939982.db2.gz	QKCJMFMGPZLQBT-PKOBYXMFSA-N	1	0	354.429	1.959	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CC2CC(OCC)C2)C[C@H]1c1cn(C)cn1	ZINC001130652489	939946855	/nfs/dbraw/zinc/94/68/55/939946855.db2.gz	XIIMFLIPVVKXJN-BXNZUYAZSA-N	1	0	358.486	1.533	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3ccc(F)cc32)C[C@H]1c1cn(C)cn1	ZINC001130654424	939948086	/nfs/dbraw/zinc/94/80/86/939948086.db2.gz	IZFBJHDPEZOUTE-WSTZPKSXSA-N	1	0	366.440	1.806	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(=O)NCC)C1	ZINC001130662078	939967415	/nfs/dbraw/zinc/96/74/15/939967415.db2.gz	JWGZGDHFIUVVMB-GMBSWORKSA-N	1	0	361.490	1.043	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccncc2Cl)C[C@H]1c1cn(C)cn1	ZINC001130680515	939968787	/nfs/dbraw/zinc/96/87/87/939968787.db2.gz	UNTWXZCBFYCVNH-WMLDXEAASA-N	1	0	357.845	1.690	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ncsc2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130672798	939971951	/nfs/dbraw/zinc/97/19/51/939971951.db2.gz	ZMCLMYCFKLBBRW-GOEBONIOSA-N	1	0	369.494	1.975	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2cccnc2C)C[C@H]1c1cn(C)cn1	ZINC001130672677	939972076	/nfs/dbraw/zinc/97/20/76/939972076.db2.gz	WJYXEULVWGXLAA-PKOBYXMFSA-N	1	0	351.454	1.274	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(CC)cn2)C[C@H]1c1cn(C)cn1	ZINC001130677930	939974295	/nfs/dbraw/zinc/97/42/95/939974295.db2.gz	IIDFKSYDFJZPIC-AZUAARDMSA-N	1	0	365.481	1.528	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccnc(C3CC3)n2)C[C@H]1c1cn(C)cn1	ZINC001130685423	939975383	/nfs/dbraw/zinc/97/53/83/939975383.db2.gz	SPYACYYANOUFHK-MAUKXSAKSA-N	1	0	366.469	1.861	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3ccccn3c2)C[C@H]1c1cn(C)cn1	ZINC001130687700	939977510	/nfs/dbraw/zinc/97/75/10/939977510.db2.gz	MVHDJAWFDXDHAH-AZUAARDMSA-N	1	0	361.449	1.894	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)nn(CC)c2C)C[C@H]1c1cn(C)cn1	ZINC001130692440	939980918	/nfs/dbraw/zinc/98/09/18/939980918.db2.gz	KRZPVYCQVGVMKT-FUHWJXTLSA-N	1	0	368.485	1.474	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2oc(CCC)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130710486	939998762	/nfs/dbraw/zinc/99/87/62/939998762.db2.gz	ZCTNZNJONOPMRD-DOTOQJQBSA-N	1	0	369.469	1.890	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)NC(C)=O)C[C@H]1c1cn(C)cn1	ZINC001130717447	940010051	/nfs/dbraw/zinc/01/00/51/940010051.db2.gz	LEXNYNPBKNIQKO-LZLYRXPVSA-N	1	0	361.490	1.041	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cccn2)C[C@H]1c1cn(C)cn1	ZINC001130708392	940014445	/nfs/dbraw/zinc/01/44/45/940014445.db2.gz	MZYFDXJSVBCFOS-XYJFISCASA-N	1	0	354.458	1.175	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cccn2)C[C@H]1c1cn(C)cn1	ZINC001130708444	940014622	/nfs/dbraw/zinc/01/46/22/940014622.db2.gz	QDAWVSQIKYVOMC-XYJFISCASA-N	1	0	356.474	1.728	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ncccc2Cl)C[C@H]1c1cn(C)cn1	ZINC001130717845	940018775	/nfs/dbraw/zinc/01/87/75/940018775.db2.gz	VIHCVGXXAJUIID-XJKSGUPXSA-N	1	0	357.845	1.690	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cnc2C)C[C@H]1c1cn(C)cn1	ZINC001130719194	940021854	/nfs/dbraw/zinc/02/18/54/940021854.db2.gz	CCCBRVPTHCSMRR-MAUKXSAKSA-N	1	0	356.474	1.545	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnn3cc[nH]c23)C[C@H]1c1cn(C)cn1	ZINC001130719506	940023398	/nfs/dbraw/zinc/02/33/98/940023398.db2.gz	VNFPSLJPVCWISW-DOTOQJQBSA-N	1	0	367.457	1.560	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)COCc2cccnc2)C[C@H]1c1cn(C)cn1	ZINC001130721363	940024930	/nfs/dbraw/zinc/02/49/30/940024930.db2.gz	DFMRARYWQNNHIX-PKOBYXMFSA-N	1	0	369.469	1.492	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)COCc2cccnc2)C[C@H]1c1cn(C)cn1	ZINC001130721812	940025584	/nfs/dbraw/zinc/02/55/84/940025584.db2.gz	QFSRMXLCGVGPLP-FUHWJXTLSA-N	1	0	355.442	1.102	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2c(C)noc2C)C[C@H]1c1cn(C)cn1	ZINC001130723776	940028917	/nfs/dbraw/zinc/02/89/17/940028917.db2.gz	XIAFBWLMXFGHKW-FUHWJXTLSA-N	1	0	355.442	1.175	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2ccnc2C)C[C@H]1c1cn(C)cn1	ZINC001130726345	940030899	/nfs/dbraw/zinc/03/08/99/940030899.db2.gz	UALVJROZUBGEQD-HHXXYDBFSA-N	1	0	370.501	1.864	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CN(C)Cc2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130737166	940038214	/nfs/dbraw/zinc/03/82/14/940038214.db2.gz	VRNXTWSLAVPMDQ-AZUAARDMSA-N	1	0	367.497	1.622	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)n2nc(C)cc2C)C[C@H]1c1cn(C)cn1	ZINC001130737196	940038760	/nfs/dbraw/zinc/03/87/60/940038760.db2.gz	WZRWCVAHKUAKPP-JENIJYKNSA-N	1	0	368.485	1.402	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCCOCC)C[C@H]1c1cn(C)cn1	ZINC001130731698	940045303	/nfs/dbraw/zinc/04/53/03/940045303.db2.gz	MBKOONUTNZSQBZ-XYJFISCASA-N	1	0	364.490	1.322	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC2CC(C)C2)C1	ZINC001130741736	940046247	/nfs/dbraw/zinc/04/62/47/940046247.db2.gz	NUWIEDMRLNVDTJ-BXNZUYAZSA-N	1	0	360.502	1.943	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(C)=O)n2)O1	ZINC001130746404	940051230	/nfs/dbraw/zinc/05/12/30/940051230.db2.gz	FBRUZABRNAZOTB-WDEREUQCSA-N	1	0	358.240	1.159	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(F)cc3)n2)O1	ZINC001130749953	940057714	/nfs/dbraw/zinc/05/77/14/940057714.db2.gz	WFNONTCYJBWXSL-JKSUJKDBSA-N	1	0	371.416	1.707	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCOC)n2)O1	ZINC001130754260	940064466	/nfs/dbraw/zinc/06/44/66/940064466.db2.gz	BFHUTMNRRJPKIE-NWDGAFQWSA-N	1	0	357.842	1.020	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCOC3)n2)O1	ZINC001130761826	940068470	/nfs/dbraw/zinc/06/84/70/940068470.db2.gz	GVHIRERHMSWPRY-FRRDWIJNSA-N	1	0	369.853	1.020	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CO[C@H](C)CC)n2)O1	ZINC001130775094	940091749	/nfs/dbraw/zinc/09/17/49/940091749.db2.gz	LCSHRDONDSHRRD-HZSPNIEDSA-N	1	0	351.451	1.232	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ncccc3C)n2)O1	ZINC001130775252	940092392	/nfs/dbraw/zinc/09/23/92/940092392.db2.gz	QANJTNVKBVVKFM-LSDHHAIUSA-N	1	0	370.457	1.824	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCCCO3)n2)O1	ZINC001130775411	940092404	/nfs/dbraw/zinc/09/24/04/940092404.db2.gz	UYXOZHGKUQFZQR-ZNMIVQPWSA-N	1	0	363.462	1.376	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CO[C@H](C)CC)n2)O1	ZINC001130775238	940092656	/nfs/dbraw/zinc/09/26/56/940092656.db2.gz	PWCYXOCSQOIWIL-QLFBSQMISA-N	1	0	363.462	1.069	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](CC)OCC)n2)O1	ZINC001130765553	940097064	/nfs/dbraw/zinc/09/70/64/940097064.db2.gz	XOAQQCXHEFOYGQ-SOUVJXGZSA-N	1	0	365.478	1.622	20	30		FDEDRO
C=CCOCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC[C@@H](C)F)O2)n[nH]1	ZINC001130769261	940106016	/nfs/dbraw/zinc/10/60/16/940106016.db2.gz	AEBSNGQQPNSWOT-HZSPNIEDSA-N	1	0	369.441	1.181	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)COC)n2)O1	ZINC001130769431	940106473	/nfs/dbraw/zinc/10/64/73/940106473.db2.gz	JIJJKLPMDPRWKZ-HZSPNIEDSA-N	1	0	351.451	1.089	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)CSC)n2)O1	ZINC001130772344	940111439	/nfs/dbraw/zinc/11/14/39/940111439.db2.gz	ILVADPSJLSSWKW-MELADBBJSA-N	1	0	367.519	1.806	20	30		FDEDRO
C#CCC(CC#C)C(=O)N1CCC(C(=O)NCCC[NH+](CC)CC)CC1	ZINC000806921330	940118018	/nfs/dbraw/zinc/11/80/18/940118018.db2.gz	BUGPSHHTQFZMJO-UHFFFAOYSA-N	1	0	359.514	1.736	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](CC)SC)n2)O1	ZINC001130776616	940126512	/nfs/dbraw/zinc/12/65/12/940126512.db2.gz	ICXVGNWGDXCUEK-BFHYXJOUSA-N	1	0	365.503	1.396	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[C@H](C)OC)n2)O1	ZINC001130778418	940132053	/nfs/dbraw/zinc/13/20/53/940132053.db2.gz	XHEXDAGUVWXMCS-SOUVJXGZSA-N	1	0	363.462	1.069	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H](C)SC)n2)O1	ZINC001130781050	940135827	/nfs/dbraw/zinc/13/58/27/940135827.db2.gz	MQIOSLGWXGLXPQ-MELADBBJSA-N	1	0	367.519	1.948	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCc3ccccn3)n2)O1	ZINC001130794484	940146218	/nfs/dbraw/zinc/14/62/18/940146218.db2.gz	VUZWHMYMAICZEG-JKSUJKDBSA-N	1	0	370.457	1.444	20	30		FDEDRO
C=C/C(C)=C/CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC#CC)O2)n[nH]1	ZINC001130796427	940151517	/nfs/dbraw/zinc/15/15/17/940151517.db2.gz	QTRAWIFMRSFPRJ-DMNRVOQQSA-N	1	0	357.458	1.776	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCC(C)(F)F)n2)O1	ZINC001130790106	940162230	/nfs/dbraw/zinc/16/22/30/940162230.db2.gz	HXBOCFQETUDPCM-NWDGAFQWSA-N	1	0	357.405	1.852	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3c(C)cncc3C)n2)O1	ZINC001130792716	940172475	/nfs/dbraw/zinc/17/24/75/940172475.db2.gz	UGKLADIWWUWVAY-LSDHHAIUSA-N	1	0	370.457	1.742	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC34CC4)n2)O1	ZINC001130809342	940187399	/nfs/dbraw/zinc/18/73/99/940187399.db2.gz	SQTIPLJCSKNCOC-SOUVJXGZSA-N	1	0	359.474	1.997	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccccc3O)C2)C1=O	ZINC001086647464	940189980	/nfs/dbraw/zinc/18/99/80/940189980.db2.gz	OFAKPTKDVWBPCJ-UXLLHSPISA-N	1	0	357.454	1.667	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cccc(C)n3)C2)C1=O	ZINC001086647510	940191183	/nfs/dbraw/zinc/19/11/83/940191183.db2.gz	PUQJIOBJMMDNNL-JZXOWHBKSA-N	1	0	356.470	1.665	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COc3ccccc3)n2)O1	ZINC001130817191	940220797	/nfs/dbraw/zinc/22/07/97/940220797.db2.gz	FCCQTXJRANTNQO-JKSUJKDBSA-N	1	0	371.441	1.496	20	30		FDEDRO
C=CCCOCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCF)O2)n[nH]1	ZINC001130820254	940227922	/nfs/dbraw/zinc/22/79/22/940227922.db2.gz	PWKRFQQAGYTXNI-UONOGXRCSA-N	1	0	369.441	1.183	20	30		FDEDRO
CO[C@@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#Cc2ccccc2)C1	ZINC001130922739	940320633	/nfs/dbraw/zinc/32/06/33/940320633.db2.gz	SDGLLVRGHOIXKL-QXAKKESOSA-N	1	0	366.465	1.391	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)SC)C[C@H]1c1cncn1C	ZINC001130918955	940328632	/nfs/dbraw/zinc/32/86/32/940328632.db2.gz	XFPSMVVOIWGLEQ-RBSFLKMASA-N	1	0	352.504	1.258	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(=O)N(CC)CC)C1	ZINC001130936115	940332655	/nfs/dbraw/zinc/33/26/55/940332655.db2.gz	WLRSOMAORHEPGD-HZPDHXFCSA-N	1	0	361.490	1.139	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@@H]2CCCCO2)C1	ZINC001130948347	940346653	/nfs/dbraw/zinc/34/66/53/940346653.db2.gz	HDQWQMZHXYXHEQ-GVDBMIGSSA-N	1	0	362.474	1.076	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOCC2CCC2)C1	ZINC001130940826	940351357	/nfs/dbraw/zinc/35/13/57/940351357.db2.gz	KLJYRPIWFNKZKC-USXIJHARSA-N	1	0	359.474	1.280	20	30		FDEDRO
Cn1cncc1[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1[NH2+]C/C=C\Cl	ZINC001130952016	940371911	/nfs/dbraw/zinc/37/19/11/940371911.db2.gz	ZXOOQDRCAIMVHT-KXAWDHGWSA-N	1	0	358.833	1.570	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCOC(C)C)C1	ZINC001130971227	940379777	/nfs/dbraw/zinc/37/97/77/940379777.db2.gz	FPDXAGUPBOMGQD-QZTJIDSGSA-N	1	0	360.502	1.923	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnn(C)c2)C1	ZINC001130964329	940385284	/nfs/dbraw/zinc/38/52/84/940385284.db2.gz	FUVSAKJUCVCVFL-QZTJIDSGSA-N	1	0	368.485	1.431	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CC[C@H](C)OC)C[C@H]1c1cncn1C	ZINC001130967081	940389806	/nfs/dbraw/zinc/38/98/06/940389806.db2.gz	NEUYOMLDMUFWOV-GVDBMIGSSA-N	1	0	364.490	1.322	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)n2cncn2)C[C@H]1c1cncn1C	ZINC001130967345	940390317	/nfs/dbraw/zinc/39/03/17/940390317.db2.gz	XYYRMDKMNUTNBQ-ARFHVFGLSA-N	1	0	357.462	1.123	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@H](C)CCC=C)C1	ZINC001130988895	940410687	/nfs/dbraw/zinc/41/06/87/940410687.db2.gz	OTWPPPIMNVFJAT-KZNAEPCWSA-N	1	0	358.486	1.699	20	30		FDEDRO
CCCCOCC[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1c1cncn1C	ZINC001130991270	940413481	/nfs/dbraw/zinc/41/34/81/940413481.db2.gz	BGBFWSMHHSHIKT-QZTJIDSGSA-N	1	0	360.502	1.780	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(OC)ns2)C[C@H]1c1cncn1C	ZINC001130991278	940413575	/nfs/dbraw/zinc/41/35/75/940413575.db2.gz	BOSKJXOMDUJQLD-CHWSQXEVSA-N	1	0	359.455	1.106	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOCC2CC2)C1	ZINC001130991375	940414155	/nfs/dbraw/zinc/41/41/55/940414155.db2.gz	GKHYMXFPTQACPX-QZTJIDSGSA-N	1	0	358.486	1.390	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2sccc2S(=O)(=O)N(C)C)CC1	ZINC000747404369	940415263	/nfs/dbraw/zinc/41/52/63/940415263.db2.gz	JDXDFHNLKZHDBQ-UHFFFAOYSA-N	1	0	369.512	1.216	20	30		FDEDRO
Cn1cncc1[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1[NH2+]C[C@@H]1CCOC1	ZINC001130986126	940423898	/nfs/dbraw/zinc/42/38/98/940423898.db2.gz	YAUOASKVQVDBAM-GVDBMIGSSA-N	1	0	358.486	1.390	20	30		FDEDRO
CC(C)OCC[NH2+][C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1c1cncn1C	ZINC001130986078	940423921	/nfs/dbraw/zinc/42/39/21/940423921.db2.gz	VBQZYGWWJGOUEB-IAGOWNOFSA-N	1	0	360.502	1.779	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cn2ccc(C)n2)C[C@H]1c1cncn1C	ZINC001131001668	940428210	/nfs/dbraw/zinc/42/82/10/940428210.db2.gz	IHGNDLPCUGZGRE-KBAYOESNSA-N	1	0	368.485	1.169	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](OCC)C(C)C)C[C@H]1c1cncn1C	ZINC001131008012	940434350	/nfs/dbraw/zinc/43/43/50/940434350.db2.gz	RQGVDCLHVNQKLH-ZHALLVOQSA-N	1	0	360.502	1.779	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2conc2C(C)C)C[C@H]1c1cncn1C	ZINC001131008020	940434357	/nfs/dbraw/zinc/43/43/57/940434357.db2.gz	SCUCCDWSFJCVHY-GDBMZVCRSA-N	1	0	355.442	1.753	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3cncn3C2)C[C@H]1c1cncn1C	ZINC001131018035	940439178	/nfs/dbraw/zinc/43/91/78/940439178.db2.gz	YODHSXRFVISQIC-CGTJXYLNSA-N	1	0	368.485	1.339	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCO1	ZINC000807669554	940439555	/nfs/dbraw/zinc/43/95/55/940439555.db2.gz	YUKASSIIXQRETL-QZTJIDSGSA-N	1	0	361.486	1.197	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@H]1c1cncn1C	ZINC001131015117	940448673	/nfs/dbraw/zinc/44/86/73/940448673.db2.gz	OLMRMCWPPVVHKL-YFHUEUNASA-N	1	0	368.485	1.797	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2(F)CCCC2)C[C@H]1c1cncn1C	ZINC001131022656	940456005	/nfs/dbraw/zinc/45/60/05/940456005.db2.gz	FGFQMUQMMDHIOA-HZPDHXFCSA-N	1	0	362.449	1.236	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COC2CCCCC2)C[C@H]1c1cncn1C	ZINC001131022629	940456130	/nfs/dbraw/zinc/45/61/30/940456130.db2.gz	DKDSPLDJIDYZTM-QZTJIDSGSA-N	1	0	358.486	1.677	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C[C@H]1c1cncn1C	ZINC001131028939	940463624	/nfs/dbraw/zinc/46/36/24/940463624.db2.gz	QYZVSVROWKODTN-WJFTUGDTSA-N	1	0	370.497	1.390	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccn3ccnc3c2)C[C@H]1c1cncn1C	ZINC001131028946	940463676	/nfs/dbraw/zinc/46/36/76/940463676.db2.gz	RSWRWBCHUJMQPP-IAGOWNOFSA-N	1	0	362.437	1.289	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)COCC(F)F)C[C@H]1c1cncn1C	ZINC001131038252	940466171	/nfs/dbraw/zinc/46/61/71/940466171.db2.gz	HSYUGZYGQNTJFA-RRFJBIMHSA-N	1	0	370.444	1.941	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2n[nH]nc2C)C[C@H]1c1cncn1C	ZINC001131040100	940468094	/nfs/dbraw/zinc/46/80/94/940468094.db2.gz	LPUNQPMNVKJXGT-NWANDNLSSA-N	1	0	357.462	1.399	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(OC)ccn2)C[C@H]1c1cncn1C	ZINC001131040107	940468113	/nfs/dbraw/zinc/46/81/13/940468113.db2.gz	LVRVSCKNXVKPOA-NVXWUHKLSA-N	1	0	353.426	1.045	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2occ3c2CCOC3)C[C@H]1c1cncn1C	ZINC001131040160	940468167	/nfs/dbraw/zinc/46/81/67/940468167.db2.gz	PNWFQICLDUSOLF-IAGOWNOFSA-N	1	0	370.453	1.860	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2cc(CC)nn2C)C[C@H]1c1cncn1C	ZINC001131033088	940470067	/nfs/dbraw/zinc/47/00/67/940470067.db2.gz	GJFAYXRRALSNTF-QZTJIDSGSA-N	1	0	370.501	1.419	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)cc2C)C[C@H]1c1cncn1C	ZINC001131062011	940479813	/nfs/dbraw/zinc/47/98/13/940479813.db2.gz	RASOKTLWSWVBJE-RTBURBONSA-N	1	0	366.465	1.958	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]C/C=C/Cl)C2)c1	ZINC001131067916	940483045	/nfs/dbraw/zinc/48/30/45/940483045.db2.gz	AZLOXAVPXDSLPZ-ADDHZHGLSA-N	1	0	369.856	1.747	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc3c2OCC3)C[C@H]1c1cncn1C	ZINC001131082123	940487862	/nfs/dbraw/zinc/48/78/62/940487862.db2.gz	JMQGWMCXWNKDPW-QZTJIDSGSA-N	1	0	364.449	1.576	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCC(=C)C)C2)nn1	ZINC001131083809	940488993	/nfs/dbraw/zinc/48/89/93/940488993.db2.gz	BYVIHCHTBHYZGT-HZPDHXFCSA-N	1	0	369.473	1.362	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)no2)C[C@H]1c1cncn1C	ZINC001131084548	940489437	/nfs/dbraw/zinc/48/94/37/940489437.db2.gz	YLJGBLXQLVPCIR-GDBMZVCRSA-N	1	0	355.442	1.753	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1c1cncn1C	ZINC001131079739	940492145	/nfs/dbraw/zinc/49/21/45/940492145.db2.gz	RJLVNVMWOXQCBH-DJIMGWMZSA-N	1	0	354.458	1.763	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2sc(CC)nc2C)C[C@H]1c1cncn1C	ZINC001131086090	940493365	/nfs/dbraw/zinc/49/33/65/940493365.db2.gz	FUSVVHRERSUYEY-HUUCEWRRSA-N	1	0	371.510	1.969	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnc(C)nc2C)C[C@H]1c1cncn1C	ZINC001131089466	940494775	/nfs/dbraw/zinc/49/47/75/940494775.db2.gz	ISULCVMXXXPCNQ-IAGOWNOFSA-N	1	0	352.442	1.048	20	30		FDEDRO
CC[C@@H](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CCOC)C1	ZINC001131096542	940497378	/nfs/dbraw/zinc/49/73/78/940497378.db2.gz	HLTOEOJYWYXMFN-KZNAEPCWSA-N	1	0	360.502	1.780	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cccn2)C[C@H]1c1cncn1C	ZINC001131103606	940501104	/nfs/dbraw/zinc/50/11/04/940501104.db2.gz	SILRLSVEEAMLAQ-GVDBMIGSSA-N	1	0	354.458	1.175	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ncoc2C(C)(C)C)C[C@H]1c1cncn1C	ZINC001131106235	940501944	/nfs/dbraw/zinc/50/19/44/940501944.db2.gz	QMNDSXOEFFTFHZ-HUUCEWRRSA-N	1	0	369.469	1.927	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COc2ccsc2)C[C@H]1c1cncn1C	ZINC001131106559	940502088	/nfs/dbraw/zinc/50/20/88/940502088.db2.gz	ZYFNLZHFHCPBRL-HZPDHXFCSA-N	1	0	358.467	1.468	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2cnn(CC)c2)C[C@H]1c1cncn1C	ZINC001131107886	940502469	/nfs/dbraw/zinc/50/24/69/940502469.db2.gz	FBXFZIVUJSBEET-QZTJIDSGSA-N	1	0	370.501	1.729	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnn3cc[nH]c23)C[C@H]1c1cncn1C	ZINC001131117596	940504428	/nfs/dbraw/zinc/50/44/28/940504428.db2.gz	GNDMRUOHOCLGQP-HZPDHXFCSA-N	1	0	367.457	1.560	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CC)C1	ZINC001131117751	940504639	/nfs/dbraw/zinc/50/46/39/940504639.db2.gz	PWRQCPLMJBFLCR-WOJBJXKFSA-N	1	0	360.461	1.551	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COc2cccc(C)c2)C[C@H]1c1cncn1C	ZINC001131119464	940505255	/nfs/dbraw/zinc/50/52/55/940505255.db2.gz	DIPYPGSLLYOENS-RTBURBONSA-N	1	0	366.465	1.715	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2c(C)noc2C)C[C@H]1c1cncn1C	ZINC001131119834	940505600	/nfs/dbraw/zinc/50/56/00/940505600.db2.gz	YQKDPWYTWDYHIB-QZTJIDSGSA-N	1	0	369.469	1.565	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH]nc3C2)C[C@H]1c1cncn1C	ZINC001131125551	940507688	/nfs/dbraw/zinc/50/76/88/940507688.db2.gz	GNOUADWVGPVSGQ-YXJHDRRASA-N	1	0	368.485	1.408	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)nsc2C)C[C@H]1c1cncn1C	ZINC001131127881	940509730	/nfs/dbraw/zinc/50/97/30/940509730.db2.gz	JUAULOUKZLDJLC-HUUCEWRRSA-N	1	0	357.483	1.715	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnc(CC)s2)C[C@H]1c1cncn1C	ZINC001131133055	940512696	/nfs/dbraw/zinc/51/26/96/940512696.db2.gz	ZOHHGPLVYJZYFG-ZIAGYGMSSA-N	1	0	357.483	1.660	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2cn(C)nn2)C[C@H]1c1cncn1C	ZINC001131136197	940513354	/nfs/dbraw/zinc/51/33/54/940513354.db2.gz	AORJAAJXXCDRMU-IAGOWNOFSA-N	1	0	371.489	1.032	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@]12CCC[C@H]1OCC2	ZINC001131226232	940534639	/nfs/dbraw/zinc/53/46/39/940534639.db2.gz	HKTIPTHDRMNCOX-MDZRGWNJSA-N	1	0	351.491	1.465	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2C[C@H]2C2CCOCC2)c1	ZINC001131242197	940537792	/nfs/dbraw/zinc/53/77/92/940537792.db2.gz	IQKRSLLHXXUYID-RBUKOAKNSA-N	1	0	369.465	1.375	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CSC)C1	ZINC001131297730	940544928	/nfs/dbraw/zinc/54/49/28/940544928.db2.gz	KIDJCGDQPVOTSN-ZNMIVQPWSA-N	1	0	353.488	1.422	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ccncn2)C1	ZINC001131313615	940553350	/nfs/dbraw/zinc/55/33/50/940553350.db2.gz	XWUKIQFNBDRGCP-UAGQMJEPSA-N	1	0	371.441	1.162	20	30		FDEDRO
C=CCCCCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001131354109	940556205	/nfs/dbraw/zinc/55/62/05/940556205.db2.gz	QHQUUDXVIJPUJT-HZPDHXFCSA-N	1	0	366.462	1.049	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2OCC[C@H]2CC)CC1	ZINC001131364695	940556708	/nfs/dbraw/zinc/55/67/08/940556708.db2.gz	VOEKSUZFTNIUJX-SCTDSRPQSA-N	1	0	365.518	1.807	20	30		FDEDRO
Cc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n1C1CC1	ZINC001086667884	940565120	/nfs/dbraw/zinc/56/51/20/940565120.db2.gz	ACLPGGYSFZPVMK-DZGCQCFKSA-N	1	0	367.457	1.810	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCC2CC2)CC1	ZINC001131431610	940594953	/nfs/dbraw/zinc/59/49/53/940594953.db2.gz	NETOPWYWGQCFGK-QUCCMNQESA-N	1	0	364.486	1.049	20	30		FDEDRO
CCCCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)C#N)CC1	ZINC001131451279	940604915	/nfs/dbraw/zinc/60/49/15/940604915.db2.gz	JPSCIOAWUMPTQB-JQHSSLGASA-N	1	0	351.491	1.948	20	30		FDEDRO
C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H](CC)OC)CC1	ZINC001131461605	940619837	/nfs/dbraw/zinc/61/98/37/940619837.db2.gz	RIRRVDJDFJNFQC-LMMKCTJWSA-N	1	0	354.491	1.600	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2nnn(C)c2C)CC1	ZINC001131461933	940620457	/nfs/dbraw/zinc/62/04/57/940620457.db2.gz	XQADVMKNZGTBQB-AEFFLSMTSA-N	1	0	361.490	1.689	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCCC)CC1	ZINC001131478758	940634904	/nfs/dbraw/zinc/63/49/04/940634904.db2.gz	IUZVVRHNXQYKAL-XLIONFOSSA-N	1	0	363.502	1.302	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)C1=O	ZINC001131491656	940642770	/nfs/dbraw/zinc/64/27/70/940642770.db2.gz	OTOMYOSDUJFOEK-QYZOEREBSA-N	1	0	371.481	1.269	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(OC)ns2)CC1	ZINC001131500230	940651243	/nfs/dbraw/zinc/65/12/43/940651243.db2.gz	NNAZUDWKCZPWGR-PBHICJAKSA-N	1	0	363.483	1.774	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2ccccn2)CC1	ZINC001131503289	940653687	/nfs/dbraw/zinc/65/36/87/940653687.db2.gz	WLOJIWIDUVXWPC-AHRSYUTCSA-N	1	0	371.481	1.606	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1)[C@@H]1CCCO1	ZINC000808945265	940657270	/nfs/dbraw/zinc/65/72/70/940657270.db2.gz	XTOVRMBFGGYPBI-NEWSRXKRSA-N	1	0	371.481	1.310	20	30		FDEDRO
C=C(C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NC2CC2)CC1	ZINC001131510359	940659014	/nfs/dbraw/zinc/65/90/14/940659014.db2.gz	CYBCMWSATLXVFF-XLIONFOSSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H](O)COC)CC1	ZINC001131506606	940668635	/nfs/dbraw/zinc/66/86/35/940668635.db2.gz	HDZRJGPPLDECSO-LMMKCTJWSA-N	1	0	368.518	1.582	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2nccn2)CC1	ZINC001131506759	940669072	/nfs/dbraw/zinc/66/90/72/940669072.db2.gz	NSPSOEGTBZXEEX-WDYCEAGBSA-N	1	0	361.490	1.619	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn(C)nc2CC)CC1	ZINC001131517679	940685542	/nfs/dbraw/zinc/68/55/42/940685542.db2.gz	ZTQNWODJRNMJLM-MOPGFXCFSA-N	1	0	358.486	1.605	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2cnccc2OC)CC1	ZINC001131519558	940688787	/nfs/dbraw/zinc/68/87/87/940688787.db2.gz	RIBPHOIGBLKBFC-NQIIRXRSSA-N	1	0	371.481	1.642	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H]2CCNC2=O)CC1	ZINC001131511909	940693800	/nfs/dbraw/zinc/69/38/00/940693800.db2.gz	CEAOLFKTYUUOGP-LMMKCTJWSA-N	1	0	363.502	1.465	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn3cccnc3n2)CC1	ZINC001131526422	940711521	/nfs/dbraw/zinc/71/15/21/940711521.db2.gz	RRDKBHIJQSLCRM-AEFFLSMTSA-N	1	0	367.453	1.352	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(CCC)n[nH]2)CC1	ZINC001131538849	940726697	/nfs/dbraw/zinc/72/66/97/940726697.db2.gz	WWXHOQSHNATPER-MJGOQNOKSA-N	1	0	358.486	1.985	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)Oc2cccnc2)CC1	ZINC001131562327	940736076	/nfs/dbraw/zinc/73/60/76/940736076.db2.gz	PIRPMJRZJZXWPT-AHRSYUTCSA-N	1	0	371.481	1.858	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2cn[nH]n2)CC1	ZINC001131567434	940743035	/nfs/dbraw/zinc/74/30/35/940743035.db2.gz	LOEHXOFWPXUEMT-MJGOQNOKSA-N	1	0	361.490	1.689	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn(CC)nc2C)CC1	ZINC001131572385	940748206	/nfs/dbraw/zinc/74/82/06/940748206.db2.gz	GUTUZZYQBYNXPH-MOPGFXCFSA-N	1	0	358.486	1.834	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn(CCC)c2)CC1	ZINC001131572359	940748243	/nfs/dbraw/zinc/74/82/43/940748243.db2.gz	FJGZKJQXOPLIHM-MOPGFXCFSA-N	1	0	358.486	1.916	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc3nncn3c2)CC1	ZINC001131577607	940754522	/nfs/dbraw/zinc/75/45/22/940754522.db2.gz	ADXGTTPNEKSSFO-MJGOQNOKSA-N	1	0	367.453	1.352	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCCC(N)=O)CC1	ZINC001131590570	940760299	/nfs/dbraw/zinc/76/02/99/940760299.db2.gz	JOTWOEPLWALIIY-QAPCUYQASA-N	1	0	371.909	1.770	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCn2cncn2)CC1	ZINC001131590906	940760932	/nfs/dbraw/zinc/76/09/32/940760932.db2.gz	YSFZLYCADVKZOP-MJGOQNOKSA-N	1	0	359.474	1.067	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(C(N)=O)c[nH]2)CC1	ZINC001131583111	940769454	/nfs/dbraw/zinc/76/94/54/940769454.db2.gz	PXTFYUYZYFTHLZ-WBVHZDCISA-N	1	0	360.458	1.289	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cncnc2CC)CC1	ZINC001131604786	940774374	/nfs/dbraw/zinc/77/43/74/940774374.db2.gz	GYLLKEVBKRKTOY-MOPGFXCFSA-N	1	0	356.470	1.662	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](CC(C)C)NC(C)=O)CC1	ZINC001131595387	940778384	/nfs/dbraw/zinc/77/83/84/940778384.db2.gz	WMTPTIFDHQWOPY-QYZOEREBSA-N	1	0	365.518	1.709	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(N(C)C)nn2)CC1	ZINC001131599791	940783023	/nfs/dbraw/zinc/78/30/23/940783023.db2.gz	LZRHNXGBZZYUAH-APWZRJJASA-N	1	0	371.485	1.165	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c[nH]c(C(N)=O)c2)CC1	ZINC001131606798	940784281	/nfs/dbraw/zinc/78/42/81/940784281.db2.gz	GRBJGNSYBOAGHA-WBVHZDCISA-N	1	0	360.458	1.289	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2cnn(C)c2)CC1	ZINC001131608583	940788598	/nfs/dbraw/zinc/78/85/98/940788598.db2.gz	GYOFONOWNBCRKE-QUCCMNQESA-N	1	0	358.486	1.362	20	30		FDEDRO
C#CCC1(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCO)CC2)CCCCC1	ZINC001131610228	940789862	/nfs/dbraw/zinc/78/98/62/940789862.db2.gz	GSUOJVNOAPTSIX-MOPGFXCFSA-N	1	0	362.514	1.938	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(N(C)C)ccn2)CC1	ZINC001131610517	940790267	/nfs/dbraw/zinc/79/02/67/940790267.db2.gz	UZPGYGRTQUVEDQ-QUCCMNQESA-N	1	0	370.497	1.770	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COC[C@@H]2CCCO2)CC1	ZINC001131617715	940795148	/nfs/dbraw/zinc/79/51/48/940795148.db2.gz	WMCJRFIQNLTYCG-NSHGMRRFSA-N	1	0	366.502	1.744	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1)[C@H]1CCCO1	ZINC000809304389	940809380	/nfs/dbraw/zinc/80/93/80/940809380.db2.gz	JCERETWDYPUJCN-ZWKOTPCHSA-N	1	0	361.486	1.008	20	30		FDEDRO
N#Cc1ncc(Br)cc1N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000809354969	940825272	/nfs/dbraw/zinc/82/52/72/940825272.db2.gz	BECJFWZUUUYUSK-LBPRGKRZSA-N	1	0	351.248	1.874	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1	ZINC000747560169	940833560	/nfs/dbraw/zinc/83/35/60/940833560.db2.gz	PZUDZWNYNQUTLT-MRXNPFEDSA-N	1	0	370.457	1.051	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1C#N	ZINC000809502317	940844954	/nfs/dbraw/zinc/84/49/54/940844954.db2.gz	KSGAKLVZUPGDBZ-RDJZCZTQSA-N	1	0	370.453	1.126	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2COCCN2C)C1	ZINC001086675070	940909800	/nfs/dbraw/zinc/90/98/00/940909800.db2.gz	KBBYGTIQSXKRCV-BFHYXJOUSA-N	1	0	360.296	1.100	20	30		FDEDRO
COc1cncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1	ZINC001086676294	940933171	/nfs/dbraw/zinc/93/31/71/940933171.db2.gz	POLUKGWBCQADKE-QWHCGFSZSA-N	1	0	354.414	1.373	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1	ZINC000810071062	940945582	/nfs/dbraw/zinc/94/55/82/940945582.db2.gz	VSGVQWJNHMEWMP-RYUDHWBXSA-N	1	0	360.380	1.328	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2COC(=O)N2)C1	ZINC001086686202	941072188	/nfs/dbraw/zinc/07/21/88/941072188.db2.gz	MNXRUGDLYQKVBO-IUIKQTSFSA-N	1	0	360.389	1.180	20	30		FDEDRO
N#Cc1nc(-c2ccco2)oc1N1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1	ZINC000747669703	941086089	/nfs/dbraw/zinc/08/60/89/941086089.db2.gz	OWWHJQFTJUVBPD-HNNXBMFYSA-N	1	0	371.441	1.385	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000811530524	941138942	/nfs/dbraw/zinc/13/89/42/941138942.db2.gz	JLEPGNFKCVXVAO-DNVCBOLYSA-N	1	0	367.490	1.467	20	30		FDEDRO
CSC1(CNC(=O)NCCNc2ncccc2C#N)CC[NH+](C)CC1	ZINC000811943747	941173884	/nfs/dbraw/zinc/17/38/84/941173884.db2.gz	LKUUCVCQGMPZKX-UHFFFAOYSA-N	1	0	362.503	1.492	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)C[N@@H+](CC)CCC)c1	ZINC000811964067	941175373	/nfs/dbraw/zinc/17/53/73/941175373.db2.gz	BNEGAHZLEXLZGO-OAHLLOKOSA-N	1	0	365.499	1.448	20	30		FDEDRO
C#C[C@H](NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C(C)(C)C	ZINC000812121909	941182987	/nfs/dbraw/zinc/18/29/87/941182987.db2.gz	FKDWGLVIAYLKOX-INIZCTEOSA-N	1	0	364.534	1.960	20	30		FDEDRO
C[C@H](C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)n1cnc(C#N)n1	ZINC001133236411	941194024	/nfs/dbraw/zinc/19/40/24/941194024.db2.gz	JIIVBLWICKOKCP-MDYRTPRTSA-N	1	0	364.453	1.691	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)C[C@@H]2C1	ZINC000812342956	941196055	/nfs/dbraw/zinc/19/60/55/941196055.db2.gz	NYSUQJWEJYGZRG-ZACQAIPSSA-N	1	0	356.445	1.934	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1	ZINC000747823995	941280394	/nfs/dbraw/zinc/28/03/94/941280394.db2.gz	ZGGKXLLLEQNHCN-UHFFFAOYSA-N	1	0	357.498	1.533	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1ccc(N2CCCNC2=O)cc1	ZINC000812903503	941291050	/nfs/dbraw/zinc/29/10/50/941291050.db2.gz	TXUKUAIEXGZXDS-CQSZACIVSA-N	1	0	355.442	1.819	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c(ccc(C)c3C)[nH]2)C1	ZINC001195261768	970799884	/nfs/dbraw/zinc/79/98/84/970799884.db2.gz	GXHIEGDMKGOSLH-RTBURBONSA-N	1	0	357.454	1.762	20	30		FDEDRO
CN1C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)CC1=O	ZINC001086710872	941360381	/nfs/dbraw/zinc/36/03/81/941360381.db2.gz	NZVOIPBMZYOTIN-RCCFBDPRSA-N	1	0	354.454	1.411	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CCn1cc(-c2ccccc2)cn1	ZINC001134053038	941530030	/nfs/dbraw/zinc/53/00/30/941530030.db2.gz	LHCSYCPRJFXLOU-MOPGFXCFSA-N	1	0	354.454	1.847	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)CCC2	ZINC001134062234	941540735	/nfs/dbraw/zinc/54/07/35/941540735.db2.gz	TXPPEUWWDAZTJE-KYNGSXCRSA-N	1	0	371.481	1.799	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)N(C)C1CCCCC1	ZINC001134062067	941540920	/nfs/dbraw/zinc/54/09/20/941540920.db2.gz	QADCQRKIDWBGOY-OIISXLGYSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)Nc1ccc(C)cc1C	ZINC001134062226	941540931	/nfs/dbraw/zinc/54/09/31/941540931.db2.gz	SWLSPAUCPXCLTH-NUJGCVRESA-N	1	0	359.470	1.927	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)Cc1ccccc1C	ZINC001134062348	941541170	/nfs/dbraw/zinc/54/11/70/941541170.db2.gz	XGZQRFPNLWCSFC-MSOLQXFVSA-N	1	0	359.470	1.250	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)Nc1ccccc1CC	ZINC001134062358	941541223	/nfs/dbraw/zinc/54/12/23/941541223.db2.gz	XXCKNKFGRURDOZ-LESCRADOSA-N	1	0	359.470	1.873	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)Nc1ccc(F)c(F)c1	ZINC001134062400	941541254	/nfs/dbraw/zinc/54/12/54/941541254.db2.gz	ZDJYMIIZAFGOAI-GHJWDPDVSA-N	1	0	367.396	1.589	20	30		FDEDRO
C=CCn1cc(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])nn1	ZINC001134199831	941601878	/nfs/dbraw/zinc/60/18/78/941601878.db2.gz	DPXYSBFXJHVUCJ-UHFFFAOYSA-N	1	0	371.401	1.376	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nc(C)c(C)o2)C1	ZINC001086720805	941620146	/nfs/dbraw/zinc/62/01/46/941620146.db2.gz	PJHPJASVGPPUFG-KSZLIROESA-N	1	0	358.486	1.764	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(OC)no2)C1	ZINC001086721080	941640486	/nfs/dbraw/zinc/64/04/86/941640486.db2.gz	FCQKXKHXUTYVFR-UXLLHSPISA-N	1	0	360.458	1.155	20	30		FDEDRO
CC(=NNC(=S)NCCN1CCOCC1)c1ccc(C[NH+](C)C)cc1	ZINC000814717335	941711994	/nfs/dbraw/zinc/71/19/94/941711994.db2.gz	UUBYFJOHEPRFGX-UHFFFAOYSA-N	1	0	363.531	1.269	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001086725258	941725490	/nfs/dbraw/zinc/72/54/90/941725490.db2.gz	RDSYREKYADFZMQ-XJKSGUPXSA-N	1	0	353.426	1.984	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)CC1	ZINC000815028811	941763543	/nfs/dbraw/zinc/76/35/43/941763543.db2.gz	HOWGUOFGRQJMQS-BEFAXECRSA-N	1	0	371.456	1.949	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCCCCCC1	ZINC001135065087	941881463	/nfs/dbraw/zinc/88/14/63/941881463.db2.gz	UWHHJCIGDNNLNO-HKUYNNGSSA-N	1	0	365.518	1.856	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCO[C@H]1C(=C)C	ZINC001135067951	941883775	/nfs/dbraw/zinc/88/37/75/941883775.db2.gz	SXJUENIMQJDEJU-SQNIBIBYSA-N	1	0	365.518	1.877	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N([C@@H](C)C1CC1)C1CC1	ZINC001135145487	941929034	/nfs/dbraw/zinc/92/90/34/941929034.db2.gz	KOWDBGULRBZHJR-FNHZYXHNSA-N	1	0	363.502	1.463	20	30		FDEDRO
C#CCCCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1O	ZINC001195338259	970851964	/nfs/dbraw/zinc/85/19/64/970851964.db2.gz	KKTMTDGTZYWWPD-XUVXKRRUSA-N	1	0	358.482	1.335	20	30		FDEDRO
C#CCN(C)CCC[NH2+][C@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1	ZINC000815652802	941933441	/nfs/dbraw/zinc/93/34/41/941933441.db2.gz	UDEMMJRAWZNPPN-UYAOXDASSA-N	1	0	373.497	1.957	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(N2CCCCC2)c1	ZINC000815860131	941996385	/nfs/dbraw/zinc/99/63/85/941996385.db2.gz	XLCOFUWQSCZCLE-UHFFFAOYSA-N	1	0	356.470	1.687	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2oc(C(C)C)nc2c1	ZINC000815860170	941996444	/nfs/dbraw/zinc/99/64/44/941996444.db2.gz	ZAKBMMRMANPINF-UHFFFAOYSA-N	1	0	356.426	1.961	20	30		FDEDRO
C=CCOc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H]3CCNC3=O)C2)cc1	ZINC001086735841	942104681	/nfs/dbraw/zinc/10/46/81/942104681.db2.gz	QJFGCNPHQSLWSO-LESCRADOSA-N	1	0	357.454	1.628	20	30		FDEDRO
CCN1CCOC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001086738914	942157072	/nfs/dbraw/zinc/15/70/72/942157072.db2.gz	YMYZFLXLVHVOMG-PWIZWCRZSA-N	1	0	370.497	1.653	20	30		FDEDRO
C[C@@H](CCCCNCC#N)NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1	ZINC001170829103	942235078	/nfs/dbraw/zinc/23/50/78/942235078.db2.gz	LJXDTSGOYBLNED-JQHSSLGASA-N	1	0	350.507	1.521	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3C(C)C)C2)cc1	ZINC001086774120	942463197	/nfs/dbraw/zinc/46/31/97/942463197.db2.gz	WFXLQVUJUYRYSC-FUHWJXTLSA-N	1	0	366.469	1.924	20	30		FDEDRO
CN1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)C1=O	ZINC001086781152	942482666	/nfs/dbraw/zinc/48/26/66/942482666.db2.gz	DHGOHEHPOWJZOP-WOSRLPQWSA-N	1	0	360.483	1.473	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3csc(C)n3)C2)C1=O	ZINC001086785659	942507021	/nfs/dbraw/zinc/50/70/21/942507021.db2.gz	LLHRMUJYFCXBAN-ZNMIVQPWSA-N	1	0	362.499	1.727	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1	ZINC000817153011	942590486	/nfs/dbraw/zinc/59/04/86/942590486.db2.gz	RKVBDXRYYANRLX-INIZCTEOSA-N	1	0	355.463	1.765	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3C(C)C)C2)c1	ZINC001086798220	942606422	/nfs/dbraw/zinc/60/64/22/942606422.db2.gz	BWZIBTWVLACMEL-FUHWJXTLSA-N	1	0	366.469	1.924	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(C)n(C)n3)C2)c1	ZINC001086798391	942635369	/nfs/dbraw/zinc/63/53/69/942635369.db2.gz	KJFIKJHWPBMONU-FUHWJXTLSA-N	1	0	351.454	1.793	20	30		FDEDRO
CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ncc(F)c(Oc2ccc(C#N)cc2)n1	ZINC001170874305	942872777	/nfs/dbraw/zinc/87/27/77/942872777.db2.gz	UOUGQVGNGCLBPO-UKRRQHHQSA-N	1	0	371.372	1.843	20	30		FDEDRO
C#CCSCCNC(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1	ZINC000817778667	942944858	/nfs/dbraw/zinc/94/48/58/942944858.db2.gz	TWOPMFCMXMLIMW-UHFFFAOYSA-N	1	0	352.548	1.554	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1)[C@@H]1CCCO1	ZINC000817779572	942946313	/nfs/dbraw/zinc/94/63/13/942946313.db2.gz	CCSVEFNYALCKEQ-MOPGFXCFSA-N	1	0	362.518	1.369	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H](C)c3cnc(C)cn3)C2)nn1	ZINC001086823370	943387324	/nfs/dbraw/zinc/38/73/24/943387324.db2.gz	AJUMEGNSGRGQLT-OWCLPIDISA-N	1	0	369.473	1.812	20	30		FDEDRO
C[N@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CC[C@@H](C#N)C1	ZINC001195487770	970987906	/nfs/dbraw/zinc/98/79/06/970987906.db2.gz	KUGJVFOFWKMOOC-OLZOCXBDSA-N	1	0	352.416	1.497	20	30		FDEDRO
CC[C@@H](C#N)Oc1cc(C[NH2+]C[C@H](O)CN2CCOCC2)ccc1OC	ZINC000819070674	943428917	/nfs/dbraw/zinc/42/89/17/943428917.db2.gz	YUYQPTNSWFNGJI-IRXDYDNUSA-N	1	0	363.458	1.159	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnc(C)cn3)C2)nn1	ZINC001086824886	943437033	/nfs/dbraw/zinc/43/70/33/943437033.db2.gz	DXUKCHJXDTZJLB-JKSUJKDBSA-N	1	0	369.473	1.641	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnc(C)o3)C2)nn1	ZINC001086824847	943437068	/nfs/dbraw/zinc/43/70/68/943437068.db2.gz	CFXZDCVNLPLIIJ-LSDHHAIUSA-N	1	0	358.446	1.839	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1	ZINC000819224496	943496330	/nfs/dbraw/zinc/49/63/30/943496330.db2.gz	GICZNBOFTZWWRL-LPHOPBHVSA-N	1	0	368.522	1.820	20	30		FDEDRO
C=C[C@H]1C[C@@]1(Nc1ncc(C)cc1[C@H]1C[NH2+]C[C@@H]1C(=O)OC)C(=O)OCC	ZINC001170925054	943508650	/nfs/dbraw/zinc/50/86/50/943508650.db2.gz	QPTODIJWYSGDKX-YEOLMYPVSA-N	1	0	373.453	1.786	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cn(CC)nn2)C1	ZINC001086826261	943509861	/nfs/dbraw/zinc/50/98/61/943509861.db2.gz	GDQDAOCEMVOTSJ-MVJTYMMSSA-N	1	0	361.490	1.654	20	30		FDEDRO
COC(=O)N1CCC(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000819308416	943513377	/nfs/dbraw/zinc/51/33/77/943513377.db2.gz	SNLZXEMJFYLOQR-UHFFFAOYSA-N	1	0	365.455	1.400	20	30		FDEDRO
C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)NC(=O)OC(C)(C)C	ZINC000819273743	943522149	/nfs/dbraw/zinc/52/21/49/943522149.db2.gz	FYHDHYXKRHCJLY-LBPRGKRZSA-N	1	0	368.459	1.230	20	30		FDEDRO
C[C@@H]([NH2+]C[C@H](O)CN(C)CCC#N)c1ccc(N2CCCOC2=O)cc1	ZINC000819330331	943529661	/nfs/dbraw/zinc/52/96/61/943529661.db2.gz	OBDPTFUCNOZFBN-QAPCUYQASA-N	1	0	360.458	1.890	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1	ZINC000819349312	943535878	/nfs/dbraw/zinc/53/58/78/943535878.db2.gz	KCYPAMHBOQRMSO-AWEZNQCLSA-N	1	0	358.392	1.872	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)CCCN2C(=O)c3ccccc3C2=O)CC1	ZINC000819747717	943727080	/nfs/dbraw/zinc/72/70/80/943727080.db2.gz	ZPTXPWSBLKJGIX-UHFFFAOYSA-N	1	0	367.449	1.476	20	30		FDEDRO
C#C[C@H](CCC)NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C	ZINC000820647885	944158178	/nfs/dbraw/zinc/15/81/78/944158178.db2.gz	XCUBMTSCJPNFKS-MSOLQXFVSA-N	1	0	358.486	1.377	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1cc(Br)cc(N)c1N	ZINC001136411695	944321992	/nfs/dbraw/zinc/32/19/92/944321992.db2.gz	WRMKKKHEVLFFNZ-UHFFFAOYSA-N	1	0	368.279	1.921	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3nn(C)cc32)C1	ZINC001195615327	971081433	/nfs/dbraw/zinc/08/14/33/971081433.db2.gz	RWEXWVJZTXDLOF-ATZDWAIDSA-N	1	0	360.502	1.748	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cnc(OC)nc2)C1	ZINC001086844552	944492014	/nfs/dbraw/zinc/49/20/14/944492014.db2.gz	POEUGSZTCZEYCJ-WCQYABFASA-N	1	0	369.263	1.882	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)NCC1CC[NH+](CC2CC2)CC1	ZINC000856416635	971136875	/nfs/dbraw/zinc/13/68/75/971136875.db2.gz	UFWBIZXLVARZGH-HNENSFHCSA-N	1	0	360.458	1.141	20	30		FDEDRO
COC(=O)c1nn(-c2ccccc2)cc1OC[C@@H](O)CN[C@H](C)CC#N	ZINC001195659103	971143723	/nfs/dbraw/zinc/14/37/23/971143723.db2.gz	IZVNWDWOUYTZCG-HIFRSBDPSA-N	1	0	358.398	1.290	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCS(=O)(=O)N1)C2	ZINC001110106247	945637687	/nfs/dbraw/zinc/63/76/87/945637687.db2.gz	LLAMLBHINVENGB-WCVJEAGWSA-N	1	0	357.520	1.370	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](NC(=O)OC(C)(C)C)C1	ZINC000823680842	945932651	/nfs/dbraw/zinc/93/26/51/945932651.db2.gz	OAFDOPNQNJMRFH-JKSUJKDBSA-N	1	0	350.463	1.915	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)n1	ZINC001090721410	945970371	/nfs/dbraw/zinc/97/03/71/945970371.db2.gz	NOIDYFGEZVAGOV-ZTFGCOKTSA-N	1	0	370.501	1.718	20	30		FDEDRO
C[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1NC(=O)CC[NH+]1CCCCC1	ZINC001090722993	945983067	/nfs/dbraw/zinc/98/30/67/945983067.db2.gz	BQYJJXSWRWOHAO-RHSMWYFYSA-N	1	0	359.449	1.909	20	30		FDEDRO
CON=C(C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1csc(N)n1	ZINC000824037032	946160598	/nfs/dbraw/zinc/16/05/98/946160598.db2.gz	YJZTTXDISNNXEY-KGLIPLIRSA-N	1	0	373.482	1.537	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2ccc(Cl)cc2)C1	ZINC001195814028	971213558	/nfs/dbraw/zinc/21/35/58/971213558.db2.gz	GYAXYILNMQJVAD-KBRIMQKVSA-N	1	0	352.862	1.807	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[N@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cc1	ZINC000856544551	971222676	/nfs/dbraw/zinc/22/26/76/971222676.db2.gz	OTTSEPNGNKFJNF-OTWHNJEPSA-N	1	0	350.422	1.442	20	30		FDEDRO
C#CCCCCC(=O)N1CCC[C@H]1CN(C)c1cc[nH+]cc1-c1nn[nH]n1	ZINC001573283747	946723842	/nfs/dbraw/zinc/72/38/42/946723842.db2.gz	MRRNMCXFRHCZJH-HNNXBMFYSA-N	1	0	367.457	1.883	20	30		FDEDRO
C#CCCCCC(=O)N(C)C1CC(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1	ZINC001573284099	946735185	/nfs/dbraw/zinc/73/51/85/946735185.db2.gz	RITHNTZXAOZODW-UHFFFAOYSA-N	1	0	367.457	1.587	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H]1C	ZINC001573284558	946749881	/nfs/dbraw/zinc/74/98/81/946749881.db2.gz	GIRYAYKMJWPVNG-DZGCQCFKSA-N	1	0	353.430	1.197	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CCCCNc1cc([N+](=O)[O-])c(OC)nc1C	ZINC001171069994	946816934	/nfs/dbraw/zinc/81/69/34/946816934.db2.gz	UYNJCFQVWBFONH-LBPRGKRZSA-N	1	0	352.391	1.946	20	30		FDEDRO
CCc1noc(C[C@@]2(O)CCC[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)n1	ZINC000856675419	971301496	/nfs/dbraw/zinc/30/14/96/971301496.db2.gz	YCEBUKUGFOKROG-APWZRJJASA-N	1	0	356.426	1.607	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@H](C)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573293518	946960348	/nfs/dbraw/zinc/96/03/48/946960348.db2.gz	YRUDPSIMCKAWRK-VIFPVBQESA-N	1	0	368.239	1.154	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CC1	ZINC001573562364	946975200	/nfs/dbraw/zinc/97/52/00/946975200.db2.gz	TUHXYAXRNRIGOU-ZWNOBZJWSA-N	1	0	359.459	1.414	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC([N@H+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1	ZINC001573564765	946997163	/nfs/dbraw/zinc/99/71/63/946997163.db2.gz	KJTSGNWESMNAAJ-GFCCVEGCSA-N	1	0	371.420	1.588	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC(C)([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1	ZINC001573565176	947001847	/nfs/dbraw/zinc/00/18/47/947001847.db2.gz	NWWCCPZSUSIHPT-GFCCVEGCSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC([C@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)CC1	ZINC001573565274	947005744	/nfs/dbraw/zinc/00/57/44/947005744.db2.gz	PSWQPKNESDABQY-KGLIPLIRSA-N	1	0	367.457	1.743	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573567694	947052575	/nfs/dbraw/zinc/05/25/75/947052575.db2.gz	RAIBHEOEEHMNKX-BBRMVZONSA-N	1	0	353.430	1.449	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1	ZINC001573567747	947054708	/nfs/dbraw/zinc/05/47/08/947054708.db2.gz	RYAPZPXHNBZMQW-NWDGAFQWSA-N	1	0	359.459	1.511	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1-c1nn[nH]n1	ZINC001573567902	947060894	/nfs/dbraw/zinc/06/08/94/947060894.db2.gz	URMZFKNAXIBCCH-BMFZPTHFSA-N	1	0	365.441	1.592	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573567995	947063577	/nfs/dbraw/zinc/06/35/77/947063577.db2.gz	WDSXXGZZNKCOCD-SMDDNHRTSA-N	1	0	357.393	1.246	20	30		FDEDRO
C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573297467	947063780	/nfs/dbraw/zinc/06/37/80/947063780.db2.gz	IKYYYOKRKVBTBR-UHFFFAOYSA-N	1	0	351.842	1.635	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F	ZINC001573569784	947075335	/nfs/dbraw/zinc/07/53/35/947075335.db2.gz	FJVAUMWWRQOCTL-BXUZGUMPSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C[C@@H]2C1	ZINC001573570343	947086367	/nfs/dbraw/zinc/08/63/67/947086367.db2.gz	MVCQMDSLWNTDRY-TUKIKUTGSA-N	1	0	369.404	1.056	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CC1	ZINC001573571969	947106896	/nfs/dbraw/zinc/10/68/96/947106896.db2.gz	BZSODUDNUVMIHT-NWDGAFQWSA-N	1	0	359.459	1.559	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)CC2	ZINC001573572054	947108302	/nfs/dbraw/zinc/10/83/02/947108302.db2.gz	DKILRJNERJCRGF-ACWOFJMJSA-N	1	0	365.441	1.640	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCC1	ZINC001573578144	947183013	/nfs/dbraw/zinc/18/30/13/947183013.db2.gz	ZCYWTIBWPMPCDI-LLVKDONJSA-N	1	0	357.393	1.294	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCCC1	ZINC001573578189	947184763	/nfs/dbraw/zinc/18/47/63/947184763.db2.gz	ZSVOHUSWHSGFMR-NSHDSACASA-N	1	0	359.459	1.606	20	30		FDEDRO
C[C@H](C#N)C(=O)NCCC1(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1	ZINC001573582306	947188936	/nfs/dbraw/zinc/18/89/36/947188936.db2.gz	CSAHRKPXFAYOAV-GFCCVEGCSA-N	1	0	371.420	1.542	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1	ZINC001573583526	947206329	/nfs/dbraw/zinc/20/63/29/947206329.db2.gz	MROZWEDUVUCNDB-LLVKDONJSA-N	1	0	359.459	1.416	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC[C@@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573584076	947211350	/nfs/dbraw/zinc/21/13/50/947211350.db2.gz	QGJSJRLDLWGGFD-CHWSQXEVSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@@H]1C[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]1C	ZINC001573584576	947226610	/nfs/dbraw/zinc/22/66/10/947226610.db2.gz	YMYFMMPLJFARCF-YRGRVCCFSA-N	1	0	371.420	1.350	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)[C@@H]1C	ZINC001573585699	947266444	/nfs/dbraw/zinc/26/64/44/947266444.db2.gz	VDOXKBWZYNYIRF-HFAKWTLXSA-N	1	0	357.393	1.244	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC001573586290	947282769	/nfs/dbraw/zinc/28/27/69/947282769.db2.gz	NPMOSECPUCQGGG-FRFSOERESA-N	1	0	367.457	1.791	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2snnc2C)C[C@H]1c1ccc(OC)cc1	ZINC001090862826	947305099	/nfs/dbraw/zinc/30/50/99/947305099.db2.gz	PWUJGTVMBDYANH-JKSUJKDBSA-N	1	0	356.451	1.686	20	30		FDEDRO
C=CCCC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573330476	947435129	/nfs/dbraw/zinc/43/51/29/947435129.db2.gz	YGAUCYHPXHRKCV-AWEZNQCLSA-N	1	0	374.420	1.289	20	30		FDEDRO
C=CCCCC(=O)NCC1(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CCC1	ZINC001573334408	947453766	/nfs/dbraw/zinc/45/37/66/947453766.db2.gz	NAVBOFXULJKBDY-UHFFFAOYSA-N	1	0	355.446	1.799	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C1	ZINC001573334567	947459594	/nfs/dbraw/zinc/45/95/94/947459594.db2.gz	OMPYJGUUXDTPRW-HEHGZKQESA-N	1	0	355.446	1.696	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN([C@H](C)C(=O)NCc3ccccc3)C[C@H]2O)C1	ZINC001196019864	971385663	/nfs/dbraw/zinc/38/56/63/971385663.db2.gz	IRJQHYXWEOMWAM-KBAYOESNSA-N	1	0	371.481	1.209	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1c1ccc(OC)cc1	ZINC001090874861	947484205	/nfs/dbraw/zinc/48/42/05/947484205.db2.gz	WCEASUOZIYOTTD-RBUKOAKNSA-N	1	0	365.433	1.225	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(OC)n(C)n2)C[C@H]1c1ccc(OC)cc1	ZINC001090875455	947491678	/nfs/dbraw/zinc/49/16/78/947491678.db2.gz	URIRRUWNHLKQJX-FUHWJXTLSA-N	1	0	370.453	1.821	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573337423	947516260	/nfs/dbraw/zinc/51/62/60/947516260.db2.gz	XGROLRXIFKAEDT-QGZVFWFLSA-N	1	0	370.457	1.492	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)[C@H](C)C1	ZINC001573343323	947555697	/nfs/dbraw/zinc/55/56/97/947555697.db2.gz	MWGKPZUECVKRKI-RHSMWYFYSA-N	1	0	370.457	1.396	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@H]1c1ccc(OC)cc1	ZINC001090880188	947586892	/nfs/dbraw/zinc/58/68/92/947586892.db2.gz	ZJXPRJSWYSMNJH-RBUKOAKNSA-N	1	0	368.437	1.025	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cc2C)C[C@H]1c1ccc(OC)cc1	ZINC001090880936	947597449	/nfs/dbraw/zinc/59/74/49/947597449.db2.gz	RFYZOUWVRYMXSQ-RBUKOAKNSA-N	1	0	365.433	1.935	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)co2)C[C@H]1c1ccc(OC)cc1	ZINC001090881087	947598649	/nfs/dbraw/zinc/59/86/49/947598649.db2.gz	YTWVJYXBLCJQMG-DLBZAZTESA-N	1	0	367.405	1.218	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C=C)C[C@H]1c1ccc(OC)cc1	ZINC001090881261	947599799	/nfs/dbraw/zinc/59/97/99/947599799.db2.gz	CPRAZLKTZLPBRD-WCIQWLHISA-N	1	0	354.450	1.804	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C#C)nc2)C[C@H]1c1ccc(OC)cc1	ZINC001090884490	947642870	/nfs/dbraw/zinc/64/28/70/947642870.db2.gz	SWQSLTUEPJHFQG-LEWJYISDSA-N	1	0	359.429	1.903	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1c1ccc(OC)cc1	ZINC001090885282	947660165	/nfs/dbraw/zinc/66/01/65/947660165.db2.gz	JMPVPFUJVFSSQU-FUHWJXTLSA-N	1	0	368.437	1.506	20	30		FDEDRO
CC#CC[N@H+](CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CCCCCC1	ZINC001573358605	947665742	/nfs/dbraw/zinc/66/57/42/947665742.db2.gz	MYJSXDYMFDGEKR-UHFFFAOYSA-N	1	0	369.473	1.973	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@@]2(C)CC(c3ccccc3)=NO2)c1C#N	ZINC000856825377	971420429	/nfs/dbraw/zinc/42/04/29/971420429.db2.gz	DVKLOWCTWPRLHF-LJQANCHMSA-N	1	0	366.425	1.955	20	30		FDEDRO
CO[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)CCC[NH+]1CCCC1	ZINC001090892345	947746729	/nfs/dbraw/zinc/74/67/29/947746729.db2.gz	IYAXEUIXXWVQIH-IAGOWNOFSA-N	1	0	357.458	1.149	20	30		FDEDRO
C/C(=C\C(=O)NC1(C[NH3+])COC1)C(=O)c1ccc(Br)cc1	ZINC001143887050	947962605	/nfs/dbraw/zinc/96/26/05/947962605.db2.gz	RORJUJOBWDHFIB-UXBLZVDNSA-N	1	0	353.216	1.422	20	30		FDEDRO
C[N@H+](C[C@@H](O)CCNC(=O)OC(C)(C)C)C[C@@H](O)c1cccc(C#N)c1	ZINC000844371623	947999787	/nfs/dbraw/zinc/99/97/87/947999787.db2.gz	PCTITFKNGCAAMU-DLBZAZTESA-N	1	0	363.458	1.799	20	30		FDEDRO
C=CCC(C)(C)C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1	ZINC001144078005	948194956	/nfs/dbraw/zinc/19/49/56/948194956.db2.gz	TXVPCDCXMRQKRB-UHFFFAOYSA-N	1	0	351.472	1.535	20	30		FDEDRO
C[NH+](C)CCOCc1ncn2c1CN(Cc1cncc(C#N)c1)CCC2	ZINC001144079973	948200551	/nfs/dbraw/zinc/20/05/51/948200551.db2.gz	RJLAVLRWTSLKLP-UHFFFAOYSA-N	1	0	354.458	1.634	20	30		FDEDRO
N#Cc1cncc(C[NH+]2CCC3(C[C@H](C(=O)N4CCOCC4)CO3)CC2)c1	ZINC001144080373	948201508	/nfs/dbraw/zinc/20/15/08/948201508.db2.gz	KCHLWFOKMDPXBE-SFHVURJKSA-N	1	0	370.453	1.183	20	30		FDEDRO
N#Cc1cncc(C[NH+]2CCC3(C[C@@H](C(=O)N4CCOCC4)CO3)CC2)c1	ZINC001144080372	948201833	/nfs/dbraw/zinc/20/18/33/948201833.db2.gz	KCHLWFOKMDPXBE-GOSISDBHSA-N	1	0	370.453	1.183	20	30		FDEDRO
N#Cc1cncc(C[N@H+]2C[C@@H]3COC[C@@H](CC(=O)NCC4CC4)[C@@H]3C2)c1	ZINC001144080392	948202156	/nfs/dbraw/zinc/20/21/56/948202156.db2.gz	KLYIALVJXIBFQI-QRVBRYPASA-N	1	0	354.454	1.564	20	30		FDEDRO
Cn1cc([C@@H]2CC(=O)N(C)C23CC[NH+](Cc2ccc(C#N)cn2)CC3)cn1	ZINC001144158834	948302867	/nfs/dbraw/zinc/30/28/67/948302867.db2.gz	RDIVTAWVEDUDAM-SFHVURJKSA-N	1	0	364.453	1.667	20	30		FDEDRO
CCc1nc(C#N)cc(N[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]2C)n1	ZINC001091008831	948433008	/nfs/dbraw/zinc/43/30/08/948433008.db2.gz	JJMNGGNMOKOARO-UKRRQHHQSA-N	1	0	358.490	1.900	20	30		FDEDRO
CC[C@@H](C(=O)N1CCO[C@@H]2CN(c3ccncc3C#N)C[C@@H]21)[NH+](CC)CC	ZINC001091058716	948778520	/nfs/dbraw/zinc/77/85/20/948778520.db2.gz	RNTUOLNYMGHHGO-YTQUADARSA-N	1	0	371.485	1.490	20	30		FDEDRO
CC(=O)N[C@@H](CS)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1	ZINC001144406858	948982006	/nfs/dbraw/zinc/98/20/06/948982006.db2.gz	VUNPDWOSHDPLEK-HZSPNIEDSA-N	1	0	368.528	1.000	20	30		FDEDRO
C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC(=O)NCC(=O)OCc1ccccc1	ZINC001171181479	949166727	/nfs/dbraw/zinc/16/67/27/949166727.db2.gz	LRSSHHBYPBRMRC-INIZCTEOSA-N	1	0	365.433	1.938	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573792798	949266952	/nfs/dbraw/zinc/26/69/52/949266952.db2.gz	DTMRNVLBBRKOAH-CQSZACIVSA-N	1	0	370.432	1.746	20	30		FDEDRO
CC(C)(C)C#CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573793726	949309017	/nfs/dbraw/zinc/30/90/17/949309017.db2.gz	XKICDVAGZDDRFW-OKILXGFUSA-N	1	0	370.432	1.792	20	30		FDEDRO
C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1	ZINC001091159091	949842162	/nfs/dbraw/zinc/84/21/62/949842162.db2.gz	WIDWHIREPYAOQG-BACDZXNISA-N	1	0	371.909	1.103	20	30		FDEDRO
C[N@H+](CCC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O)C1CCCCC1	ZINC001091163951	949938574	/nfs/dbraw/zinc/93/85/74/949938574.db2.gz	KCNFCLNHIFLEGV-MOPGFXCFSA-N	1	0	371.485	1.274	20	30		FDEDRO
C#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)c3cnn(C)c3)[C@H]3OCCC[C@H]32)cc1	ZINC001144571817	949952694	/nfs/dbraw/zinc/95/26/94/949952694.db2.gz	JNIWBUXKGGGTQF-VAMGGRTRSA-N	1	0	364.449	1.563	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)OC[C@@H]2CC[N@H+](C)[C@@H]2C)c1	ZINC000845818541	949979512	/nfs/dbraw/zinc/97/95/12/949979512.db2.gz	VKIAXIUUTLQTDI-HIFRSBDPSA-N	1	0	350.440	1.095	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1	ZINC000857176111	971628169	/nfs/dbraw/zinc/62/81/69/971628169.db2.gz	NONCJIZYBWEYLZ-KRWDZBQOSA-N	1	0	350.484	1.826	20	30		FDEDRO
C#C[C@H](NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)[C@@H]1CCCO1	ZINC000845957192	950289185	/nfs/dbraw/zinc/28/91/85/950289185.db2.gz	RBFIEMWSGMOXPP-KKUMJFAQSA-N	1	0	353.463	1.128	20	30		FDEDRO
C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H](Cc1ccccc1)C(=O)NCC(N)=O	ZINC001171204401	950324260	/nfs/dbraw/zinc/32/42/60/950324260.db2.gz	XDRNIMUUTMIBID-BEFAXECRSA-N	1	0	364.449	1.292	20	30		FDEDRO
C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001574745209	950376612	/nfs/dbraw/zinc/37/66/12/950376612.db2.gz	HFNRAIRVSQCCNR-GFCCVEGCSA-N	1	0	364.413	1.317	20	30		FDEDRO
CNC(=O)CN1C(=O)CC[C@@]12CCC[N@@H+]([C@@H](C)Cc1cccc(C#N)c1)C2	ZINC001171213316	950547190	/nfs/dbraw/zinc/54/71/90/950547190.db2.gz	YQRWNCJHDVZOST-HRAATJIYSA-N	1	0	368.481	1.692	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)CC[NH+]1CCCCC1	ZINC000846205983	950635507	/nfs/dbraw/zinc/63/55/07/950635507.db2.gz	MPNQOYPZAYJBKM-OAHLLOKOSA-N	1	0	358.442	1.860	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1	ZINC000846228529	950747905	/nfs/dbraw/zinc/74/79/05/950747905.db2.gz	NBFQVBOOMJVGIJ-UHFFFAOYSA-N	1	0	369.425	1.833	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1	ZINC001576217314	950754800	/nfs/dbraw/zinc/75/48/00/950754800.db2.gz	MEHQMVUCJHIIMI-KDOFPFPSSA-N	1	0	364.453	1.607	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C	ZINC000846241136	950774299	/nfs/dbraw/zinc/77/42/99/950774299.db2.gz	FISHTADYOUNTOF-KFWWJZLASA-N	1	0	355.479	1.681	20	30		FDEDRO
C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1	ZINC001575019751	951043941	/nfs/dbraw/zinc/04/39/41/951043941.db2.gz	VNTZFCQFQBXSDY-VIFPVBQESA-N	1	0	356.415	1.036	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ncnn2CC(C)C)C1	ZINC001091239294	951129997	/nfs/dbraw/zinc/12/99/97/951129997.db2.gz	RQKUQBMRDNVYAK-BACDZXNISA-N	1	0	361.490	1.510	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)cc1	ZINC001571004469	951147141	/nfs/dbraw/zinc/14/71/41/951147141.db2.gz	KWEOJTRAHMHNCS-OAHLLOKOSA-N	1	0	362.397	1.071	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)c[nH]1	ZINC001571004676	951155569	/nfs/dbraw/zinc/15/55/69/951155569.db2.gz	NVBLCACCKFIKCW-CQSZACIVSA-N	1	0	362.397	1.071	20	30		FDEDRO
N#Cc1cccc(-c2nn[nH]n2)c1N1CC[NH2+][C@H](Cc2ccc(F)cc2)C1	ZINC001571007011	951197121	/nfs/dbraw/zinc/19/71/21/951197121.db2.gz	ZBHCJYKCTISKCA-MRXNPFEDSA-N	1	0	363.400	1.898	20	30		FDEDRO
Cc1ccc(C#N)c(N[C@@H]2CCCC[C@H]2NC(=O)COCC[NH+](C)C)n1	ZINC001091269312	951254347	/nfs/dbraw/zinc/25/43/47/951254347.db2.gz	PZSLNXOISOSJMZ-IAGOWNOFSA-N	1	0	359.474	1.679	20	30		FDEDRO
C[N@@H+]1CC[C@H](Nc2cnc(-c3nn[nH]n3)c(C#N)n2)[C@H]1c1ccc(F)cc1	ZINC001571014513	951286281	/nfs/dbraw/zinc/28/62/81/951286281.db2.gz	DHGLFSVVJBQMGD-BLLLJJGKSA-N	1	0	365.376	1.525	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2nn(CC)nc2C)C1	ZINC001091278650	951296436	/nfs/dbraw/zinc/29/64/36/951296436.db2.gz	WSBGHMYACWAUDM-OBQMCRIKSA-N	1	0	361.490	1.572	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC([NH2+]CC(=O)N2CCCCC2)C1	ZINC001091279679	951298816	/nfs/dbraw/zinc/29/88/16/951298816.db2.gz	PQITWJPXEMRWQL-AKSNENBUSA-N	1	0	363.502	1.465	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1	ZINC001571018175	951344030	/nfs/dbraw/zinc/34/40/30/951344030.db2.gz	CEAUVOGQBRNIPV-KBRIMQKVSA-N	1	0	365.441	1.592	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC([N@@H+]2CCOC[C@@H]2C)CC1	ZINC000846912234	951712380	/nfs/dbraw/zinc/71/23/80/951712380.db2.gz	LQYGYIQOWYZXAS-KXBFYZLASA-N	1	0	357.454	1.957	20	30		FDEDRO
C#C[C@H]1CCC[N@@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1	ZINC000847020706	951774625	/nfs/dbraw/zinc/77/46/25/951774625.db2.gz	DBDSWGWMYIPQTN-DLBZAZTESA-N	1	0	356.495	1.802	20	30		FDEDRO
C#C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1	ZINC000847027367	951778125	/nfs/dbraw/zinc/77/81/25/951778125.db2.gz	AODMVMGQUIVFPH-RRFJBIMHSA-N	1	0	363.483	1.245	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN2C[C@@H]3CN(C(=O)[C@H](C)OC)C[C@]3(C)C2)c1	ZINC001091520556	951928058	/nfs/dbraw/zinc/92/80/58/951928058.db2.gz	OHRWDFWWFLHGJA-XPIZARPCSA-N	1	0	369.465	1.422	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2C[N@H+](Cc3cn(C)nc3C(F)F)C[C@@]2(C)C1	ZINC001091544239	951983425	/nfs/dbraw/zinc/98/34/25/951983425.db2.gz	XHXPRMIDQICKAN-NDGTYSDOSA-N	1	0	351.401	1.798	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C(=O)N(C)C)cc3)C[C@@]2(C)C1	ZINC001091544711	951983747	/nfs/dbraw/zinc/98/37/47/951983747.db2.gz	FYFCKRJCHSSSMJ-FPDPHYFHSA-N	1	0	368.481	1.828	20	30		FDEDRO
C[C@]12CN(C(=O)c3nccnc3N)C[C@H]1C[N@H+](Cc1ccc(C#N)s1)C2	ZINC001091549377	952011063	/nfs/dbraw/zinc/01/10/63/952011063.db2.gz	BKBMCSLKBVLHRU-XIKOKIGWSA-N	1	0	368.466	1.586	20	30		FDEDRO
N#Cc1nccnc1N[C@@H]1CC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1	ZINC001091581629	952136221	/nfs/dbraw/zinc/13/62/21/952136221.db2.gz	ZIDNGYCMHIDTAQ-JKSUJKDBSA-N	1	0	356.474	1.921	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cc[nH]c4C)C[C@]3(C)C2)C1=O	ZINC001091584003	952142707	/nfs/dbraw/zinc/14/27/07/952142707.db2.gz	ISBSBQABOJLBFQ-SYNHAJSKSA-N	1	0	356.470	1.504	20	30		FDEDRO
Cc1cc(N[C@@H]2CC[C@H](CNC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c(C#N)cn1	ZINC001091593732	952187335	/nfs/dbraw/zinc/18/73/35/952187335.db2.gz	OLISQUCTWJRQBN-LZLYRXPVSA-N	1	0	355.486	1.722	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1	ZINC001571084489	952189568	/nfs/dbraw/zinc/18/95/68/952189568.db2.gz	IECPQNFIWMYVQW-GXTWGEPZSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@]12CN(C(=O)C[C@@H]3COC(=O)C3)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001091597598	952196686	/nfs/dbraw/zinc/19/66/86/952196686.db2.gz	CSKRJHVVVHHHAS-KLHJMIIUSA-N	1	0	367.449	1.792	20	30		FDEDRO
C[C@]12CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]1C[N@H+](Cc1ccc(CO)cc1)C2	ZINC001091604246	952225178	/nfs/dbraw/zinc/22/51/78/952225178.db2.gz	BPCKFEHWNNZZOZ-UTKZUKDTSA-N	1	0	364.449	1.973	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(F)cc3cccnc32)C1	ZINC001196617385	971814995	/nfs/dbraw/zinc/81/49/95/971814995.db2.gz	VWWPFWSZDXPDGD-IAGOWNOFSA-N	1	0	359.401	1.351	20	30		FDEDRO
C[NH+]1CCC(CC(=O)NC[C@H]2CC[C@@H](Nc3ccnc(C#N)n3)C2)CC1	ZINC001091606860	952253477	/nfs/dbraw/zinc/25/34/77/952253477.db2.gz	FRZYVQMVWRSVEA-JKSUJKDBSA-N	1	0	356.474	1.199	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)NC[C@H]1CC[C@@H](Nc2ccc(C#N)nn2)C1	ZINC001091609830	952277620	/nfs/dbraw/zinc/27/76/20/952277620.db2.gz	YLZUMGNUOSFBRY-SQWLQELKSA-N	1	0	362.453	1.725	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)C1	ZINC001147590702	952448893	/nfs/dbraw/zinc/44/88/93/952448893.db2.gz	QDRYJCXTWNVQKG-ZJPYXAASSA-N	1	0	355.482	1.261	20	30		FDEDRO
C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1C[N@H+](CC1CCS(=O)(=O)CC1)C2	ZINC001091659996	952521043	/nfs/dbraw/zinc/52/10/43/952521043.db2.gz	YLVXKGXKIFJITE-MJGOQNOKSA-N	1	0	364.511	1.005	20	30		FDEDRO
COc1ccc(C(=NC(=O)c2ccc(CC[NH+]3CCCC3)nc2)NO)nc1	ZINC001147976063	952581883	/nfs/dbraw/zinc/58/18/83/952581883.db2.gz	YIMCQHWURVOROC-UHFFFAOYSA-N	1	0	369.425	1.689	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)C2)C1	ZINC001147959034	952586659	/nfs/dbraw/zinc/58/66/59/952586659.db2.gz	JWUWFLYYNNOGDN-VSZNYVQBSA-N	1	0	357.498	1.485	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CNc1ccc(C#N)nc1	ZINC001091672444	952588960	/nfs/dbraw/zinc/58/89/60/952588960.db2.gz	KVVSFOSCOLTBCD-CRAIPNDOSA-N	1	0	359.474	1.570	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cnc4cc[nH]cc-4c3=O)C[C@]2(C)C1	ZINC001091708766	952696204	/nfs/dbraw/zinc/69/62/04/952696204.db2.gz	LGYQPNPWYMZYSE-VLIAUNLRSA-N	1	0	350.422	1.340	20	30		FDEDRO
CN1C[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@@]3(C)C2)CC1=O	ZINC001091715258	952711560	/nfs/dbraw/zinc/71/15/60/952711560.db2.gz	WVLZDQJOUMPBRO-OPYAIIAOSA-N	1	0	366.465	1.317	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)c3cccc(OCC(N)=O)c3)C[C@]2(C)C1	ZINC001091717738	952718314	/nfs/dbraw/zinc/71/83/14/952718314.db2.gz	YFMHBWTXWUABNU-UTKZUKDTSA-N	1	0	371.481	1.911	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3[nH]c(C)c(C(N)=O)c3CC)C[C@]2(C)C1	ZINC001091734998	952754078	/nfs/dbraw/zinc/75/40/78/952754078.db2.gz	FVAZJUZKDMEYFM-VLIAUNLRSA-N	1	0	356.470	1.402	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cccc4c3oc(=O)n4C)C[C@]2(C)C1	ZINC001091737931	952765986	/nfs/dbraw/zinc/76/59/86/952765986.db2.gz	RTJMXMBMMTVTAH-VLIAUNLRSA-N	1	0	353.422	1.549	20	30		FDEDRO
C#CCNC(=O)CN1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)C2)C1	ZINC001148867956	952804210	/nfs/dbraw/zinc/80/42/10/952804210.db2.gz	GJEZGEINDBIGAB-ZWKOTPCHSA-N	1	0	369.440	1.213	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@H]3CCCNC3=O)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001091759614	952812378	/nfs/dbraw/zinc/81/23/78/952812378.db2.gz	LGUMXBWNYRIYQE-KNKQGSTJSA-N	1	0	365.477	1.345	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccc(C(N)=O)cc1)C2	ZINC001110122389	952851103	/nfs/dbraw/zinc/85/11/03/952851103.db2.gz	KWJVKPHKBSFLIJ-NJAFHUGGSA-N	1	0	373.453	1.088	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)Cc2cccc(C)c2)C1	ZINC001196709476	971873628	/nfs/dbraw/zinc/87/36/28/971873628.db2.gz	BGSVDUJPJIWUBI-VAMGGRTRSA-N	1	0	360.498	1.928	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3C(C)C)C2)cn1	ZINC001086857786	952877075	/nfs/dbraw/zinc/87/70/75/952877075.db2.gz	WFLXAYQIDQFLRK-MAUKXSAKSA-N	1	0	366.469	1.924	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)C2)C1=O	ZINC001086886584	952939486	/nfs/dbraw/zinc/93/94/86/952939486.db2.gz	LCKCQSKJTVPJHS-HESXETMVSA-N	1	0	371.525	1.940	20	30		FDEDRO
CCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1	ZINC001086960148	952956828	/nfs/dbraw/zinc/95/68/28/952956828.db2.gz	IZRRLIGURFYNLC-FUHWJXTLSA-N	1	0	355.417	1.925	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1c1cnn(C)c1	ZINC001086983422	952997223	/nfs/dbraw/zinc/99/72/23/952997223.db2.gz	OFXVWXFCKIRDNL-BBWFWOEESA-N	1	0	367.925	1.643	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3oc(=O)[nH]c3c2)C[C@H]1c1cnn(C)c1	ZINC001086983433	952997243	/nfs/dbraw/zinc/99/72/43/952997243.db2.gz	OSZCZCAJVHUHLX-GOEBONIOSA-N	1	0	367.409	1.651	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2c(C)n[nH]c2C)C[C@H]1c1cnn(C)c1	ZINC001086984817	952999637	/nfs/dbraw/zinc/99/96/37/952999637.db2.gz	FUGRMGKKCSGVLO-DOPJRALCSA-N	1	0	368.485	1.471	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2Cl)C[C@H]1c1cnn(C)c1	ZINC001086984983	953000859	/nfs/dbraw/zinc/00/08/59/953000859.db2.gz	NQDGEGHEEKNKCY-LSDHHAIUSA-N	1	0	362.865	1.581	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2CC)C[C@H]1c1cnn(C)c1	ZINC001086985981	953004676	/nfs/dbraw/zinc/00/46/76/953004676.db2.gz	OIBHMNWGENLTRV-DLBZAZTESA-N	1	0	356.474	1.490	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3O2)C[C@H]1c1cnn(C)c1	ZINC001086987034	953008428	/nfs/dbraw/zinc/00/84/28/953008428.db2.gz	WFJUIGBJHJTRRF-NSHGMRRFSA-N	1	0	366.465	1.884	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3ccncc3n2)C[C@H]1c1cnn(C)c1	ZINC001086987742	953010730	/nfs/dbraw/zinc/01/07/30/953010730.db2.gz	KZMVBNGGDMXSBT-QFBILLFUSA-N	1	0	360.421	1.194	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2nc(C)no2)C[C@H]1c1cnn(C)c1	ZINC001086989636	953014814	/nfs/dbraw/zinc/01/48/14/953014814.db2.gz	LIGLKBPRYGYTSC-JKSUJKDBSA-N	1	0	358.446	1.204	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCc2ccnn2C)C1	ZINC001086990729	953018638	/nfs/dbraw/zinc/01/86/38/953018638.db2.gz	RPDOURYNEFIKSD-ZWKOTPCHSA-N	1	0	370.501	1.493	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCn2cccn2)C1	ZINC001086990817	953019006	/nfs/dbraw/zinc/01/90/06/953019006.db2.gz	WKHGEISLPOGDCZ-ZWKOTPCHSA-N	1	0	370.501	1.803	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]C[C@H]2CCOC2)C1	ZINC001086991201	953019627	/nfs/dbraw/zinc/01/96/27/953019627.db2.gz	QFMCIXCWEQLCTQ-BPQIPLTHSA-N	1	0	360.502	1.943	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCc2ccc(=O)[nH]c2)C[C@H]1c1cnn(C)c1	ZINC001086993760	953027543	/nfs/dbraw/zinc/02/75/43/953027543.db2.gz	QATLRJLBIPLKFR-DLBZAZTESA-N	1	0	355.442	1.224	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2C2CC2)C[C@H]1c1cnn(C)c1	ZINC001086980919	953031147	/nfs/dbraw/zinc/03/11/47/953031147.db2.gz	DLNUBISQHRKYIH-FUHWJXTLSA-N	1	0	368.485	1.805	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2conc2C2CCCC2)C[C@H]1c1cnn(C)c1	ZINC001086981859	953034189	/nfs/dbraw/zinc/03/41/89/953034189.db2.gz	HDCCAYNCZRLCSA-FUHWJXTLSA-N	1	0	367.453	1.897	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(Cl)n[nH]c2CC)C[C@H]1c1cnn(C)c1	ZINC001086982106	953035103	/nfs/dbraw/zinc/03/51/03/953035103.db2.gz	TYQXUCFTOROFQC-GXTWGEPZSA-N	1	0	360.849	1.190	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]Cc3cnn(C)c3)C2)C1	ZINC001086996306	953036603	/nfs/dbraw/zinc/03/66/03/953036603.db2.gz	YFPHLCRSGBVBOK-ZWKOTPCHSA-N	1	0	368.485	1.594	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCCC2CCCC2)C[C@H]1O	ZINC001196691536	971890918	/nfs/dbraw/zinc/89/09/18/971890918.db2.gz	GRPKYFCJEWJJIT-GUDVDZBRSA-N	1	0	365.518	1.589	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c(CC)ncnc2CC)C[C@H]1c1cnn(C)c1	ZINC001086996976	953039513	/nfs/dbraw/zinc/03/95/13/953039513.db2.gz	DNSYKGYIWQOXRJ-MAUKXSAKSA-N	1	0	368.485	1.719	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2ccccc2C)C[C@H]1c1cnn(C)c1	ZINC001086998892	953043864	/nfs/dbraw/zinc/04/38/64/953043864.db2.gz	JITHDNDSAVZYAW-VQTJNVASSA-N	1	0	350.466	1.879	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3cnccc3n2)C[C@H]1c1cnn(C)c1	ZINC001086998913	953044516	/nfs/dbraw/zinc/04/45/16/953044516.db2.gz	KDIYSMFHFKNHOF-QFBILLFUSA-N	1	0	360.421	1.194	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1O	ZINC001196692021	971891635	/nfs/dbraw/zinc/89/16/35/971891635.db2.gz	QTGIKNBZUFGEKX-IPMKNSEASA-N	1	0	365.518	1.589	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2csc3cncn32)C[C@H]1c1cnn(C)c1	ZINC001087000177	953049684	/nfs/dbraw/zinc/04/96/84/953049684.db2.gz	KCBTVYXIGKJKPE-LSDHHAIUSA-N	1	0	370.482	1.903	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(COC)on2)C[C@H]1c1cnn(C)c1	ZINC001087000831	953052667	/nfs/dbraw/zinc/05/26/67/953052667.db2.gz	QDOKVUIVSLSGLG-DOTOQJQBSA-N	1	0	359.430	1.328	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCF)C1	ZINC001087001204	953053655	/nfs/dbraw/zinc/05/36/55/953053655.db2.gz	IYVQKLVFHYNSDE-NXOAAHMSSA-N	1	0	350.438	1.255	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3ccccc3O2)C[C@H]1c1cnn(C)c1	ZINC001087002139	953056958	/nfs/dbraw/zinc/05/69/58/953056958.db2.gz	JZBBPYKNDRTBFG-NLWGTHIKSA-N	1	0	364.449	1.331	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(CC)c[nH]c2=O)C[C@H]1c1cnn(C)c1	ZINC001087003581	953059767	/nfs/dbraw/zinc/05/97/67/953059767.db2.gz	DJRHGYXUDYZGKN-DLBZAZTESA-N	1	0	355.442	1.467	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2cnn(C)c2)C[C@H]1c1cnn(C)c1	ZINC001087003970	953060907	/nfs/dbraw/zinc/06/09/07/953060907.db2.gz	YUYNNIGOTSFDHV-FHLIZLRMSA-N	1	0	356.474	1.102	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2C(C)(C)C)C[C@H]1c1cnn(C)c1	ZINC001087005210	953064202	/nfs/dbraw/zinc/06/42/02/953064202.db2.gz	QVNIFJDYTRQJED-JKSUJKDBSA-N	1	0	356.474	1.825	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnc(C)nc2C2CC2)C[C@H]1c1cnn(C)c1	ZINC001087007391	953093006	/nfs/dbraw/zinc/09/30/06/953093006.db2.gz	APKYQUBXLFJOGW-ZWKOTPCHSA-N	1	0	366.469	1.780	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccnc2OCC)C[C@H]1c1cnn(C)c1	ZINC001087007949	953094235	/nfs/dbraw/zinc/09/42/35/953094235.db2.gz	FEGCUFOABLUXGM-DLBZAZTESA-N	1	0	355.442	1.598	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2csc(C)n2)C[C@H]1c1cnn(C)c1	ZINC001087008487	953095894	/nfs/dbraw/zinc/09/58/94/953095894.db2.gz	IQBJADUOVNEPHV-DLBZAZTESA-N	1	0	359.499	1.888	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1ncnn1C(C)(C)C	ZINC001087035736	953145771	/nfs/dbraw/zinc/14/57/71/953145771.db2.gz	LFCOJYZLPGXRAO-RBSFLKMASA-N	1	0	362.478	1.146	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1nnc(C)n1C1CC1	ZINC001087035817	953146179	/nfs/dbraw/zinc/14/61/79/953146179.db2.gz	NPZAUPUCEYWUPB-XNRPHZJLSA-N	1	0	360.462	1.034	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C3CC=CC3)C[C@H]2OCC)C1=O	ZINC001087037977	953151316	/nfs/dbraw/zinc/15/13/16/953151316.db2.gz	LMSBREVBNAXLAN-KZNAEPCWSA-N	1	0	361.486	1.193	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1ccccn1	ZINC001087040162	953156655	/nfs/dbraw/zinc/15/66/55/953156655.db2.gz	VBFIUQOVJCNQOI-CRAIPNDOSA-N	1	0	353.426	1.548	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001087052233	953183098	/nfs/dbraw/zinc/18/30/98/953183098.db2.gz	MIWAKWLBCZTWID-NVXWUHKLSA-N	1	0	371.416	1.687	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1ncc(C2CC2)o1	ZINC001087052593	953184070	/nfs/dbraw/zinc/18/40/70/953184070.db2.gz	BXUZBRAQETYTKB-SJLPKXTDSA-N	1	0	357.454	1.919	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2cnon2)[C@H](OCC)C1	ZINC001087057863	953187712	/nfs/dbraw/zinc/18/77/12/953187712.db2.gz	YWHSBTVHEGTHBD-TZMCWYRMSA-N	1	0	356.854	1.801	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1c(C)noc1C	ZINC001087046316	953193589	/nfs/dbraw/zinc/19/35/89/953193589.db2.gz	XQWQMVCVVVLISS-RDTXWAMCSA-N	1	0	371.441	1.758	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cncn2C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087065074	953214068	/nfs/dbraw/zinc/21/40/68/953214068.db2.gz	JLCJQAOMZZQDEP-IEBWSBKVSA-N	1	0	367.453	1.559	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2nonc2C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087103804	953276743	/nfs/dbraw/zinc/27/67/43/953276743.db2.gz	BQLWVIYEMRTLMJ-IAGOWNOFSA-N	1	0	369.425	1.517	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]C[C@H]3CCCOC3)[C@H](OCC)C2)cn1	ZINC001087097333	953284373	/nfs/dbraw/zinc/28/43/73/953284373.db2.gz	KFVIOAWKLAMMNP-YVWKXTFCSA-N	1	0	371.481	1.556	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@]2(C)C1	ZINC001091763864	953285867	/nfs/dbraw/zinc/28/58/67/953285867.db2.gz	PSXCNQBIQPXGIE-UZLBHIALSA-N	1	0	365.437	1.890	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cnc(C(F)(F)F)nc3)C[C@]2(C)C1	ZINC001091768368	953291007	/nfs/dbraw/zinc/29/10/07/953291007.db2.gz	BAUQEQVWVJMTTP-CJNGLKHVSA-N	1	0	352.360	1.913	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CCN1c1cnc(C#N)cn1	ZINC001091785697	953303135	/nfs/dbraw/zinc/30/31/35/953303135.db2.gz	ABMTYUMIBJMPNQ-YQVWRLOYSA-N	1	0	370.501	1.942	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@@H+]1C[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@]2(C)C1	ZINC001091810116	953343813	/nfs/dbraw/zinc/34/38/13/953343813.db2.gz	KWPCATMUAHKZFX-BEFAXECRSA-N	1	0	366.425	1.279	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CCN1c1cncc(C#N)n1	ZINC001091832006	953374889	/nfs/dbraw/zinc/37/48/89/953374889.db2.gz	NMJUDIWJWMVMEI-IXDOHACOSA-N	1	0	356.474	1.696	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccnc4c3CC(=O)N4)C[C@]2(C)C1	ZINC001091819954	953476730	/nfs/dbraw/zinc/47/67/30/953476730.db2.gz	PSSBDEKVBFILAO-VLIAUNLRSA-N	1	0	354.454	1.936	20	30		FDEDRO
CC[C@@H](C(=O)N[C@H]1CCN(c2cncc(C#N)n2)[C@@H]1CC)[NH+](CC)CC	ZINC001091826378	953501625	/nfs/dbraw/zinc/50/16/25/953501625.db2.gz	VWWKGPDSWZOREJ-BBWFWOEESA-N	1	0	358.490	1.942	20	30		FDEDRO
C[NH+](C)CCC(=O)N1C[C@@H]2CN(c3nc(Cl)c(C#N)s3)CC[C@@H]2C1	ZINC001091870160	953624798	/nfs/dbraw/zinc/62/47/98/953624798.db2.gz	GTHUUGVQGZDOHF-NEPJUHHUSA-N	1	0	367.906	1.905	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+]([C@H]4CCN(CC)C4=O)C[C@@]3(C)C2)cc1	ZINC001091907132	953684089	/nfs/dbraw/zinc/68/40/89/953684089.db2.gz	OLTSHJWWVMNADL-DXIQSLLYSA-N	1	0	365.477	1.683	20	30		FDEDRO
C[C@]12CN(C(=O)c3c[nH]c(=O)cn3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001091960892	953743793	/nfs/dbraw/zinc/74/37/93/953743793.db2.gz	VMASRZWHLRPCOE-UZLBHIALSA-N	1	0	363.421	1.236	20	30		FDEDRO
C#Cc1cccc(NC(=O)NC(=O)C[N@@H+]2C[C@H](C)[C@@](C)(C(=O)OC)C2)c1	ZINC001196888428	971957930	/nfs/dbraw/zinc/95/79/30/971957930.db2.gz	NSSKJXIKXYBSKK-DJJJIMSYSA-N	1	0	357.410	1.447	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCCC2)CCN1c1cncc(C#N)n1	ZINC001091972860	953959723	/nfs/dbraw/zinc/95/97/23/953959723.db2.gz	WZSMSLHFFMKVJI-WBVHZDCISA-N	1	0	356.474	1.698	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)[C@@H]1C)[NH+]1CCCCC1	ZINC001091979438	953976768	/nfs/dbraw/zinc/97/67/68/953976768.db2.gz	FEVWLIGFMYOPMH-GJYPPUQNSA-N	1	0	370.501	1.942	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cc(N4CCCC4)ncn3)C[C@]2(C)C1	ZINC001092011556	954045657	/nfs/dbraw/zinc/04/56/57/954045657.db2.gz	ZGYAOHFWORRICW-UZLBHIALSA-N	1	0	353.470	1.494	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3nnc4ccccc4c3O)C[C@]2(C)C1	ZINC001092062850	954181207	/nfs/dbraw/zinc/18/12/07/954181207.db2.gz	CTNIZEWQBGWZMV-VLIAUNLRSA-N	1	0	350.422	1.753	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3C[N@H+](CCC(F)(F)F)C[C@@]3(C)C2)nn1	ZINC001092080252	954227371	/nfs/dbraw/zinc/22/73/71/954227371.db2.gz	XRTMFYPHDIUCML-DOMZBBRYSA-N	1	0	357.380	1.810	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@H]3C[N@@H+](C[C@H](CC)OC)C[C@@]3(C)C2)nn1	ZINC001092085283	954236328	/nfs/dbraw/zinc/23/63/28/954236328.db2.gz	GJHJBPSRIIPUAX-GJYPPUQNSA-N	1	0	361.490	1.673	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@]3(C)CCCS3(=O)=O)C[C@]2(C)C1	ZINC001092091583	954256772	/nfs/dbraw/zinc/25/67/72/954256772.db2.gz	IXDHUMKGVCTSQS-BPQIPLTHSA-N	1	0	354.516	1.700	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)c3cn4nc(C)cc4[nH]c3=O)C[C@]2(C)C1	ZINC001092098186	954291818	/nfs/dbraw/zinc/29/18/18/954291818.db2.gz	QKDFBJCFAMXSGL-QRWLVFNGSA-N	1	0	369.469	1.691	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3[nH]ncc3Br)C[C@]2(C)C1	ZINC001092104527	954327498	/nfs/dbraw/zinc/32/74/98/954327498.db2.gz	MLMIWBSCWNNNBC-ABAIWWIYSA-N	1	0	351.248	1.589	20	30		FDEDRO
Cc1nonc1CC(=O)N1C[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@]2(C)C1	ZINC001092154909	954406522	/nfs/dbraw/zinc/40/65/22/954406522.db2.gz	FKNODNCWGSGMMM-XLIONFOSSA-N	1	0	365.437	1.773	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@]2(C)C1	ZINC001092170351	954454132	/nfs/dbraw/zinc/45/41/32/954454132.db2.gz	VFAWGRNPNQXQSP-KUHUBIRLSA-N	1	0	362.474	1.063	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@@]2(C)C1	ZINC001092232256	954578281	/nfs/dbraw/zinc/57/82/81/954578281.db2.gz	DXCXGQOQHZYHJB-GCJKJVERSA-N	1	0	365.477	1.269	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@H]2C[N@@H+]([C@@H](C)C(=O)NC)C[C@@]2(C)C1	ZINC001092232601	954581031	/nfs/dbraw/zinc/58/10/31/954581031.db2.gz	UBARLUKPWXREAM-KLHJMIIUSA-N	1	0	353.466	1.125	20	30		FDEDRO
C[C@]12CN(C(=O)Cn3cncn3)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001092256778	954718230	/nfs/dbraw/zinc/71/82/30/954718230.db2.gz	SOGSBBAGVDDBPM-MJGOQNOKSA-N	1	0	350.426	1.130	20	30		FDEDRO
CC[C@H](C(=O)N1C[C@H]2CN(c3nccnc3C#N)C[C@@]2(C)C1)[NH+](CC)CC	ZINC001092307443	954776115	/nfs/dbraw/zinc/77/61/15/954776115.db2.gz	XPANJPJTRXNXNR-MDYRTPRTSA-N	1	0	370.501	1.753	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]ncc2Br)C1	ZINC001197010362	972042169	/nfs/dbraw/zinc/04/21/69/972042169.db2.gz	ORUFEXSMONFVNR-CHWSQXEVSA-N	1	0	371.279	1.694	20	30		FDEDRO
C[C@]12CN(C(=O)Cn3ccnc3)C[C@H]1C[N@H+](Cc1cc(C#N)ccc1F)C2	ZINC001092318829	954827309	/nfs/dbraw/zinc/82/73/09/954827309.db2.gz	JAUAXUUNEYHJHI-XLIONFOSSA-N	1	0	367.428	1.874	20	30		FDEDRO
Cc1nonc1C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@@]2(C)C1	ZINC001092320676	954835374	/nfs/dbraw/zinc/83/53/74/954835374.db2.gz	SVLFJEAMAAUJLL-BEFAXECRSA-N	1	0	369.400	1.983	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@@H]3CN(C(=O)C[N@@H+](C)C(C)C)C[C@]3(C)C2)n1	ZINC001092292241	954892960	/nfs/dbraw/zinc/89/29/60/954892960.db2.gz	ZNIOMLSCUIWIRT-FXAWDEMLSA-N	1	0	355.486	1.887	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N1C[C@H]2CN(c3ccc(C#N)nn3)C[C@@]2(C)C1	ZINC001092293743	954901111	/nfs/dbraw/zinc/90/11/11/954901111.db2.gz	SLQSHKDLQUNKNN-BEFAXECRSA-N	1	0	356.474	1.365	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN(C(=O)CCC)C3)C[C@]2(C)C1	ZINC001092295950	954906346	/nfs/dbraw/zinc/90/63/46/954906346.db2.gz	DDKIVOXKIPKSMZ-UEXGIBASSA-N	1	0	359.514	1.829	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CNC(=O)C[NH+]1CCC(C)CC1	ZINC001092393601	954995971	/nfs/dbraw/zinc/99/59/71/954995971.db2.gz	GTQUIUVMVLJVQP-HZPDHXFCSA-N	1	0	356.474	1.269	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC2(C[NH+](CCC3CC3)C2)n2ccnc21	ZINC001092396617	955003389	/nfs/dbraw/zinc/00/33/89/955003389.db2.gz	JSUCQZIZOPPGPK-IKGGRYGDSA-N	1	0	356.470	1.846	20	30		FDEDRO
C[C@@H](C(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C)[NH+]1CCCCCC1	ZINC001092404806	955026484	/nfs/dbraw/zinc/02/64/84/955026484.db2.gz	BCNZNJNWWJYTHL-IXDOHACOSA-N	1	0	370.501	1.801	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C2)n1	ZINC001092373383	955047107	/nfs/dbraw/zinc/04/71/07/955047107.db2.gz	WDAAPCMRYSIGEN-HUUCEWRRSA-N	1	0	358.490	1.439	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1	ZINC001092427050	955071107	/nfs/dbraw/zinc/07/11/07/955071107.db2.gz	BPESCILEVFHXFP-HUUCEWRRSA-N	1	0	356.474	1.411	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1	ZINC001092428761	955075629	/nfs/dbraw/zinc/07/56/29/955075629.db2.gz	WCGFDGCUBQOXLZ-HUUCEWRRSA-N	1	0	356.474	1.411	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)c1ccc(=O)[nH]n1	ZINC001092438449	955099347	/nfs/dbraw/zinc/09/93/47/955099347.db2.gz	BZHZRWFBHGNLAN-GDBMZVCRSA-N	1	0	368.412	1.671	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1CN(c2nccnc2C#N)C[C@H]1C	ZINC001092411594	955139088	/nfs/dbraw/zinc/13/90/88/955139088.db2.gz	KMDRWZCVSJTITQ-RBSFLKMASA-N	1	0	362.453	1.217	20	30		FDEDRO
Cc1nsc(N2C[C@@H](CNC(=O)[C@@H](C3CC3)[NH+](C)C)[C@H](C)C2)c1C#N	ZINC001092416017	955148533	/nfs/dbraw/zinc/14/85/33/955148533.db2.gz	NFXOEBVDHCPVMZ-DJSGYFEHSA-N	1	0	361.515	1.852	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CCNC(=O)CC1CC[NH+](C)CC1	ZINC001092547621	955386963	/nfs/dbraw/zinc/38/69/63/955386963.db2.gz	CDUALCIBHPCJLL-NVXWUHKLSA-N	1	0	370.501	1.659	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC001092551230	955402772	/nfs/dbraw/zinc/40/27/72/955402772.db2.gz	RAWVXEICBDAXON-HZPDHXFCSA-N	1	0	371.485	1.443	20	30		FDEDRO
C[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC001092553481	955416643	/nfs/dbraw/zinc/41/66/43/955416643.db2.gz	FWIVRSXQZWYABX-UXIGCNINSA-N	1	0	352.385	1.608	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CNC(=O)c2cncnc2)[C@H](C)C1	ZINC001092558998	955447993	/nfs/dbraw/zinc/44/79/93/955447993.db2.gz	UVXVMPFCPOTBAW-RDTXWAMCSA-N	1	0	365.437	1.855	20	30		FDEDRO
CCn1nncc1C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C	ZINC001092588419	955559732	/nfs/dbraw/zinc/55/97/32/955559732.db2.gz	DLGBRZNWRBIYOO-RHSMWYFYSA-N	1	0	352.442	1.668	20	30		FDEDRO
CCn1ncc(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2C)n1	ZINC001092591588	955573156	/nfs/dbraw/zinc/57/31/56/955573156.db2.gz	LXOOURLLCBPGGE-CHWSQXEVSA-N	1	0	358.471	1.729	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCC[C@@H]2CN(c3cnc(C#N)cn3)C[C@H]2C)CC[N@@H+]1C	ZINC001092598225	955603091	/nfs/dbraw/zinc/60/30/91/955603091.db2.gz	QXTWCTAKTYGYPT-KCYZZUKISA-N	1	0	356.474	1.267	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)c1cc(=O)n(C)o1	ZINC001092572957	955685914	/nfs/dbraw/zinc/68/59/14/955685914.db2.gz	ICCXFRWEMSLQSL-CZUORRHYSA-N	1	0	354.410	1.348	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C2)n1	ZINC001092577458	955704539	/nfs/dbraw/zinc/70/45/39/955704539.db2.gz	PJCQFZCVDHWYAV-HUUCEWRRSA-N	1	0	358.490	1.441	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)NCC[C@@H]2CN(c3ccc(C#N)nn3)C[C@H]2C)C1	ZINC001092584294	955731563	/nfs/dbraw/zinc/73/15/63/955731563.db2.gz	OJEIGCXYAOXZCB-BZUAXINKSA-N	1	0	356.474	1.269	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC(=O)NC2CCCC2)C1	ZINC001197154759	972123655	/nfs/dbraw/zinc/12/36/55/972123655.db2.gz	HNQOLSIDJVWDTG-USXIJHARSA-N	1	0	351.491	1.341	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CCNc1nccnc1C#N	ZINC001092626584	955879104	/nfs/dbraw/zinc/87/91/04/955879104.db2.gz	ZNVGSXDMYJDJKG-HUUCEWRRSA-N	1	0	356.474	1.587	20	30		FDEDRO
CC[NH+](CC)CC(=O)NC[C@]12CCC[C@H]1N(c1ccc(C#N)nn1)CC2	ZINC001092697922	956072926	/nfs/dbraw/zinc/07/29/26/956072926.db2.gz	KVDXUPMYUJMGEH-VQIMIIECSA-N	1	0	356.474	1.555	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)NC[C@]23CCC[C@H]2N(c2nccnc2C#N)CC3)C1	ZINC001092700706	956089557	/nfs/dbraw/zinc/08/95/57/956089557.db2.gz	IPVVJFJMOBROGK-XAUMDUMWSA-N	1	0	368.485	1.555	20	30		FDEDRO
C[NH+](C)CCOCC(=O)NC[C@]12CCC[C@H]1N(c1ncccc1C#N)CC2	ZINC001092701305	956094448	/nfs/dbraw/zinc/09/44/48/956094448.db2.gz	YYIPWNCWJMCXCV-YLJYHZDGSA-N	1	0	371.485	1.397	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)NC[C@]12CCC[C@H]1N(c1cnc(C#N)cn1)CC2	ZINC001092713115	956152052	/nfs/dbraw/zinc/15/20/52/956152052.db2.gz	WHWIDFFUMFDXOG-XAUMDUMWSA-N	1	0	368.485	1.698	20	30		FDEDRO
C[NH+](C)CCCC(=O)NC[C@]12CCC[C@H]1N(c1cnc(C#N)cn1)CC2	ZINC001092713873	956157269	/nfs/dbraw/zinc/15/72/69/956157269.db2.gz	RMRUGGDHOAXACG-VQIMIIECSA-N	1	0	356.474	1.555	20	30		FDEDRO
C[N@H+](CC(=O)NC[C@]12CCC[C@H]1N(c1nccnc1C#N)CC2)C1CCC1	ZINC001092718230	956173470	/nfs/dbraw/zinc/17/34/70/956173470.db2.gz	RJWWIMZESVESHZ-YLJYHZDGSA-N	1	0	368.485	1.698	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)[C@H](C)C1	ZINC001092691339	956205254	/nfs/dbraw/zinc/20/52/54/956205254.db2.gz	GVFLHVFHNQYZSL-MKXGPGLRSA-N	1	0	359.514	1.875	20	30		FDEDRO
CCN1CCOC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C	ZINC001092754909	956282703	/nfs/dbraw/zinc/28/27/03/956282703.db2.gz	SXPOIRLHXDDTQE-HMXCVIKNSA-N	1	0	369.509	1.443	20	30		FDEDRO
C=C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1)c1ccccc1	ZINC001110136407	956369438	/nfs/dbraw/zinc/36/94/38/956369438.db2.gz	ATDYLQWGMAYXBX-XWSJACJDSA-N	1	0	351.454	1.969	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3c(C)cncc3C)[C@H](C)C2)C1=O	ZINC001092823708	956538768	/nfs/dbraw/zinc/53/87/68/956538768.db2.gz	BMORGEOGVOSMNN-KZNAEPCWSA-N	1	0	370.497	1.783	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1)[NH+]1CCCC1	ZINC001092850660	956560237	/nfs/dbraw/zinc/56/02/37/956560237.db2.gz	VXMNAUZMVUTMGC-VUHPKUFZSA-N	1	0	368.485	1.695	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccncc2C#N)CC1	ZINC001092867986	956588968	/nfs/dbraw/zinc/58/89/68/956588968.db2.gz	KFFPNABEUDMXHC-AYBZRNKSSA-N	1	0	369.469	1.290	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)c2ccc(-n3cncn3)nc2)[C@H](C)C1	ZINC001092869002	956593339	/nfs/dbraw/zinc/59/33/39/956593339.db2.gz	FHDXVVGOTFEYCZ-NVXWUHKLSA-N	1	0	354.458	1.926	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)c1c[nH]c(=O)n1C	ZINC001092886626	956674716	/nfs/dbraw/zinc/67/47/16/956674716.db2.gz	XWDZQPPKUULRDY-CZUORRHYSA-N	1	0	353.426	1.495	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@H]1CCNC(=O)CC1	ZINC001092856184	956702594	/nfs/dbraw/zinc/70/25/94/956702594.db2.gz	XVGIUQBVPJADRS-ATZDWAIDSA-N	1	0	368.481	1.659	20	30		FDEDRO
CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N)[NH+](CC)CC	ZINC001092911152	956754266	/nfs/dbraw/zinc/75/42/66/956754266.db2.gz	UZMZYJHWTGKXTQ-OHFALNGGSA-N	1	0	356.474	1.695	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)c1c[nH]c(=O)cn1	ZINC001092920933	956790240	/nfs/dbraw/zinc/79/02/40/956790240.db2.gz	JWBHEGTXTCYQCQ-VXGBXAGGSA-N	1	0	357.439	1.201	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)c1cccc(=O)n1C	ZINC001092954216	956892924	/nfs/dbraw/zinc/89/29/24/956892924.db2.gz	NGTXZNYHEAHIAM-ZIAGYGMSSA-N	1	0	370.478	1.816	20	30		FDEDRO
N#Cc1nccnc1N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2	ZINC001092979596	956981918	/nfs/dbraw/zinc/98/19/18/956981918.db2.gz	DPBCCPJWWZGUOA-INMHGKMJSA-N	1	0	354.458	1.450	20	30		FDEDRO
Cc1cc(C#N)nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+]2CCCCC2)C3)n1	ZINC001092980149	956983754	/nfs/dbraw/zinc/98/37/54/956983754.db2.gz	QTDXMBUJCWGSMV-KURKYZTESA-N	1	0	368.485	1.759	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(C(N)=O)[nH]1	ZINC001092969339	957016895	/nfs/dbraw/zinc/01/68/95/957016895.db2.gz	KMGIVZQRGGGKLQ-NVXWUHKLSA-N	1	0	364.449	1.463	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C	ZINC001092972634	957031372	/nfs/dbraw/zinc/03/13/72/957031372.db2.gz	HKKBBDRHFQBKHR-UTJXIGIESA-N	1	0	374.510	1.528	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](CCCO[C@H]2CCOC2)CC1	ZINC001197410845	972237770	/nfs/dbraw/zinc/23/77/70/972237770.db2.gz	IZKHSZDFDFJMLW-FHWLQOOXSA-N	1	0	366.502	1.698	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccncc2C#N)CC1	ZINC001093000701	957103043	/nfs/dbraw/zinc/10/30/43/957103043.db2.gz	KFFPNABEUDMXHC-SUMDDJOVSA-N	1	0	369.469	1.290	20	30		FDEDRO
COC1(OC)CCOC[C@H]1N[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N	ZINC001197431972	972246697	/nfs/dbraw/zinc/24/66/97/972246697.db2.gz	MEEYQRNZWHAGAU-SMDDNHRTSA-N	1	0	351.403	1.463	20	30		FDEDRO
C[NH+](C)C1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(C#N)n2)CCCC1	ZINC001093029893	957186529	/nfs/dbraw/zinc/18/65/29/957186529.db2.gz	MSXJMRBOBSPUPC-ZACQAIPSSA-N	1	0	368.485	1.839	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@H+](Cc3cccc(OC)n3)C[C@H]2C)nn1	ZINC001093035267	957253865	/nfs/dbraw/zinc/25/38/65/957253865.db2.gz	VPYYCAYVMDTVPT-HUUCEWRRSA-N	1	0	370.457	1.366	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H]1C	ZINC001093039748	957263734	/nfs/dbraw/zinc/26/37/34/957263734.db2.gz	VKCFQFMKTVYMCM-FPAYPSAMSA-N	1	0	360.502	1.976	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N[C@]12CCC[C@H]1CN(c1ccnc(C#N)n1)C2	ZINC001093108807	957435633	/nfs/dbraw/zinc/43/56/33/957435633.db2.gz	ZSKGEYJXGXEZRC-FTRWYGJKSA-N	1	0	368.485	1.698	20	30		FDEDRO
C[N@H+](CC(=O)N[C@]12CCC[C@H]1CN(c1ccnc(C#N)n1)C2)C1CCC1	ZINC001093106771	957480173	/nfs/dbraw/zinc/48/01/73/957480173.db2.gz	YPGOFZDHSKCABD-LIRRHRJNSA-N	1	0	354.458	1.308	20	30		FDEDRO
C[NH+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2cncc(C#N)n2)C1	ZINC001093115859	957558551	/nfs/dbraw/zinc/55/85/51/957558551.db2.gz	XVQOCNODHDRPTC-VXGBXAGGSA-N	1	0	356.352	1.101	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)c1ccccn1)C2	ZINC001110140515	957578038	/nfs/dbraw/zinc/57/80/38/957578038.db2.gz	AHOQHOFDBQNKLG-MVJTYMMSSA-N	1	0	356.470	1.888	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@@H]1C[N@H+](C[C@H](CC)OC)C[C@H]1C	ZINC001093137761	957630443	/nfs/dbraw/zinc/63/04/43/957630443.db2.gz	JGAFOSNGPZAEIG-ZACQAIPSSA-N	1	0	359.470	1.816	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3cc(OC)no3)C[C@H]2C)cn1	ZINC001093142857	957639637	/nfs/dbraw/zinc/63/96/37/957639637.db2.gz	FWEWQTJZCQQMPX-UKRRQHHQSA-N	1	0	354.410	1.557	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+]C3CC[NH+](CC(=O)[O-])CC3)CC2)cc1	ZINC001329825702	957710252	/nfs/dbraw/zinc/71/02/52/957710252.db2.gz	MBJQECYNGLCMGP-UHFFFAOYSA-N	1	0	356.470	1.661	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3cccc(C)n3)C[C@H]2C)C1=O	ZINC001093272206	957940411	/nfs/dbraw/zinc/94/04/11/957940411.db2.gz	PFBMEWINLDBTGN-KBAYOESNSA-N	1	0	370.497	1.865	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)CC3(O)CCC3)C[C@H]2C)C1=O	ZINC001093279307	957952119	/nfs/dbraw/zinc/95/21/19/957952119.db2.gz	XWOQPIGYTWISBW-BRWVUGGUSA-N	1	0	363.502	1.153	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C[C@H]2C)C1=O	ZINC001093280865	957957758	/nfs/dbraw/zinc/95/77/58/957957758.db2.gz	MIMAPDZESDKELC-HMSXXHTOSA-N	1	0	359.514	1.894	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3nocc3C)C[C@H]2C)C1=O	ZINC001093289643	957983358	/nfs/dbraw/zinc/98/33/58/957983358.db2.gz	WCTHPQUEJBOCSH-FVQBIDKESA-N	1	0	360.458	1.458	20	30		FDEDRO
C#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1	ZINC001093373105	958014471	/nfs/dbraw/zinc/01/44/71/958014471.db2.gz	KASNBWRRKODLPJ-QRQLOZEOSA-N	1	0	359.514	1.432	20	30		FDEDRO
COCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccccc3C#N)C2)[C@@H]1C(C)C	ZINC001093414711	958030978	/nfs/dbraw/zinc/03/09/78/958030978.db2.gz	FPUHQIYTFBLASS-QCFAMHMHSA-N	1	0	371.481	1.671	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnnc(C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093444054	958088078	/nfs/dbraw/zinc/08/80/78/958088078.db2.gz	YQZUHSFWUSGXFL-MLYOOKFZSA-N	1	0	358.486	1.941	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3(O)CCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093445538	958091973	/nfs/dbraw/zinc/09/19/73/958091973.db2.gz	CNUYPYWNDRJGQI-RWQQGDIJSA-N	1	0	350.503	1.834	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cc(C4CC4)no3)[C@H]2C(C)C)C[C@H]1O	ZINC001093447858	958103070	/nfs/dbraw/zinc/10/30/70/958103070.db2.gz	AQEMOWZDCKMASM-RMVXJAJNSA-N	1	0	371.481	1.694	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(OCC)n[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093449322	958114551	/nfs/dbraw/zinc/11/45/51/958114551.db2.gz	FVTAPPUWFBCGRW-IIHSZXCVSA-N	1	0	362.474	1.574	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnc4[nH]cnc43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093449852	958119182	/nfs/dbraw/zinc/11/91/82/958119182.db2.gz	QVEZNSZQKYIUPZ-YVTWGWGSSA-N	1	0	367.453	1.171	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc4n3CCCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093460100	958187610	/nfs/dbraw/zinc/18/76/10/958187610.db2.gz	PDOJGMJGUJODJQ-WELBPKCISA-N	1	0	370.497	1.432	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C#C)cc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093460104	958187762	/nfs/dbraw/zinc/18/77/62/958187762.db2.gz	PFYMPHMQDOMMSE-NXLVEIQXSA-N	1	0	350.462	1.881	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccnc(OC)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093466268	958208572	/nfs/dbraw/zinc/20/85/72/958208572.db2.gz	NGECEBNHASSLJS-DGQTTZFYSA-N	1	0	371.481	1.232	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccc(CC)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093466806	958210876	/nfs/dbraw/zinc/21/08/76/958210876.db2.gz	PZQBRSLZHRSZSL-KRXUUXHPSA-N	1	0	369.509	1.786	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C(F)F)n[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093467085	958212345	/nfs/dbraw/zinc/21/23/45/958212345.db2.gz	SDRZUTAWESVYAA-ADAWSYLGSA-N	1	0	366.412	1.560	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccn4ccnc34)[C@H]2C(C)C)C[C@H]1O	ZINC001093467200	958213653	/nfs/dbraw/zinc/21/36/53/958213653.db2.gz	ROQIMQMPZYQXMF-WIRSXHRWSA-N	1	0	366.465	1.547	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH]c(=O)cc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093468236	958218031	/nfs/dbraw/zinc/21/80/31/958218031.db2.gz	YAADZYCGPSVDSS-HBXLWWENSA-N	1	0	359.470	1.861	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3ncccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093470591	958229673	/nfs/dbraw/zinc/22/96/73/958229673.db2.gz	XFWQDLBVTCHNBS-XNFNUYLZSA-N	1	0	358.486	1.561	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3ncccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093470592	958229896	/nfs/dbraw/zinc/22/98/96/958229896.db2.gz	XFWQDLBVTCHNBS-YAJHFMINSA-N	1	0	358.486	1.561	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C)nc3Cl)[C@H]2C(C)C)C[C@H]1O	ZINC001093471358	958233145	/nfs/dbraw/zinc/23/31/45/958233145.db2.gz	DKDFWBXMPGJHIY-ZXFNITATSA-N	1	0	366.893	1.839	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccc(OC)cc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093475078	958251471	/nfs/dbraw/zinc/25/14/71/958251471.db2.gz	WIRPAZDSZCJCBR-CZAYHTPWSA-N	1	0	370.493	1.837	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3onc4c3CCCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093452590	958258262	/nfs/dbraw/zinc/25/82/62/958258262.db2.gz	LGPYECYBNWCSAA-PLOVASNDSA-N	1	0	371.481	1.766	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc[nH]c3=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001093453085	958262103	/nfs/dbraw/zinc/26/21/03/958262103.db2.gz	SXUJZCVVCMBYOM-YKTARERQSA-N	1	0	360.458	1.338	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3occ4c3CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093454995	958270391	/nfs/dbraw/zinc/27/03/91/958270391.db2.gz	ISHXROQVDRUNLH-PLOVASNDSA-N	1	0	356.466	1.981	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3csnn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093455619	958274144	/nfs/dbraw/zinc/27/41/44/958274144.db2.gz	PANYQIHIQLJLAQ-MEWXFMAXSA-N	1	0	370.906	1.870	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(CC)nnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093456094	958276353	/nfs/dbraw/zinc/27/63/53/958276353.db2.gz	VGEWJGIPNGNSTO-BNDYYXHWSA-N	1	0	370.497	1.560	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(CC)nnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093456096	958276904	/nfs/dbraw/zinc/27/69/04/958276904.db2.gz	VGEWJGIPNGNSTO-XCJLJZCSSA-N	1	0	370.497	1.560	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)cc(C)[nH]c3=O)[C@H]2C(C)C)C[C@H]1O	ZINC001093456390	958277866	/nfs/dbraw/zinc/27/78/66/958277866.db2.gz	ZOBRVKKWMBMTHW-KALAIVBUSA-N	1	0	371.481	1.617	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)nc(OC)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093458188	958282327	/nfs/dbraw/zinc/28/23/27/958282327.db2.gz	BLFCQANAKSCTGR-VGUOSERISA-N	1	0	371.481	1.612	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3n[nH]c4ccccc43)[C@H]2C(C)C)C[C@H]1O	ZINC001093477705	958288760	/nfs/dbraw/zinc/28/87/60/958288760.db2.gz	KVILVSLBKAQUSN-REHHDOPLSA-N	1	0	366.465	1.776	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)nsc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093480682	958305346	/nfs/dbraw/zinc/30/53/46/958305346.db2.gz	NUDMXXLYZAPFDB-RRIFGTCXSA-N	1	0	361.511	1.973	20	30		FDEDRO
C=CCCN1CC(OC2CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)CC2)C1	ZINC001093556747	958343534	/nfs/dbraw/zinc/34/35/34/958343534.db2.gz	DRLAZTNYAZPRNG-QZTJIDSGSA-N	1	0	358.486	1.792	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001093647573	958424404	/nfs/dbraw/zinc/42/44/04/958424404.db2.gz	WEHAENSYLMECBU-MZMPZRCHSA-N	1	0	361.417	1.297	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cc3cc[nH]n3)C[C@H]2C)cc1C#N	ZINC001093685189	958498275	/nfs/dbraw/zinc/49/82/75/958498275.db2.gz	YTCCAJRBRQPDRL-RHSMWYFYSA-N	1	0	367.453	1.717	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001093675282	958524051	/nfs/dbraw/zinc/52/40/51/958524051.db2.gz	NPKRJYCKVRHEFM-SRCQZFHVSA-N	1	0	358.417	1.160	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2nnc[nH]2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093699221	958563671	/nfs/dbraw/zinc/56/36/71/958563671.db2.gz	GLZLNQPRIJKEAO-RHSMWYFYSA-N	1	0	352.442	1.493	20	30		FDEDRO
CC(C)c1nnc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)o1	ZINC001093699738	958566777	/nfs/dbraw/zinc/56/67/77/958566777.db2.gz	JSUIOIXQOHXVDD-TZMCWYRMSA-N	1	0	356.430	1.891	20	30		FDEDRO
COc1ncccc1C[NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC001093699928	958567057	/nfs/dbraw/zinc/56/70/57/958567057.db2.gz	PXJVOCHDZGKFSO-CZUORRHYSA-N	1	0	353.426	1.788	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1ncnn1C(C)(C)C	ZINC001093722539	958599194	/nfs/dbraw/zinc/59/91/94/958599194.db2.gz	NHQIETDZZHKSDY-ZIAGYGMSSA-N	1	0	369.473	1.731	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC2OCCCO2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093734646	958637418	/nfs/dbraw/zinc/63/74/18/958637418.db2.gz	LKKOHLPEQSGHIM-CRAIPNDOSA-N	1	0	357.454	1.895	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3c(C)coc3C)C[C@H]2C)C1=O	ZINC001093749653	958672776	/nfs/dbraw/zinc/67/27/76/958672776.db2.gz	MAJBUCDOPJTNOL-KBRIMQKVSA-N	1	0	359.470	1.981	20	30		FDEDRO
CCn1ncc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)s3)[C@H](C)C2)n1	ZINC001093756355	958689315	/nfs/dbraw/zinc/68/93/15/958689315.db2.gz	NGXZLIGOJUWWDZ-CHWSQXEVSA-N	1	0	358.471	1.729	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1C	ZINC001093759311	958694048	/nfs/dbraw/zinc/69/40/48/958694048.db2.gz	WAGMQFZSFWYTDB-CZUORRHYSA-N	1	0	353.426	1.788	20	30		FDEDRO
CCO[C@H](C)c1noc(C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)n1	ZINC001093762159	958700487	/nfs/dbraw/zinc/70/04/87/958700487.db2.gz	TXMSNEKTJOLYQN-IIAWOOMASA-N	1	0	360.458	1.765	20	30		FDEDRO
COc1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)cc3)[C@H](C)C2)ncn1	ZINC001093774923	958743064	/nfs/dbraw/zinc/74/30/64/958743064.db2.gz	ZCGTUBGZOVZKCU-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
COc1cc(C(=O)N2C[C@@H](C[NH2+]Cc3cccc(C#N)c3)[C@H](C)C2)ncn1	ZINC001093774860	958743696	/nfs/dbraw/zinc/74/36/96/958743696.db2.gz	WYOGYJDWYKJNBF-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnc(C)cn2)[C@H](C)C1	ZINC001093778661	958873845	/nfs/dbraw/zinc/87/38/45/958873845.db2.gz	DYIVICRMKGYWIZ-OPNNQBFTSA-N	1	0	358.486	1.950	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093833570	958930790	/nfs/dbraw/zinc/93/07/90/958930790.db2.gz	NVYJCLJQBLJJER-OHQAAIJDSA-N	1	0	357.454	1.546	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093839538	958950289	/nfs/dbraw/zinc/95/02/89/958950289.db2.gz	RSHUEDYIMSHWPO-ZTFGCOKTSA-N	1	0	354.454	1.269	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001093849299	958973457	/nfs/dbraw/zinc/97/34/57/958973457.db2.gz	DVNLOWPWHNJBJK-IUODEOHRSA-N	1	0	369.400	1.691	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3ccncc3CC)C[C@H]2C)C1=O	ZINC001093877835	959092513	/nfs/dbraw/zinc/09/25/13/959092513.db2.gz	UBYXYLXBRUJNET-SZVBFZGTSA-N	1	0	370.497	1.729	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2	ZINC001110150609	959229934	/nfs/dbraw/zinc/22/99/34/959229934.db2.gz	GSVSXRDJEJBJAM-MHORFTMASA-N	1	0	362.518	1.275	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](C)c3nncn3C)[C@H](C)C2)cc1	ZINC001093957015	959348114	/nfs/dbraw/zinc/34/81/14/959348114.db2.gz	KPHCCGLPKXQFRG-IIDMSEBBSA-N	1	0	351.454	1.855	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3cc(OC)ccn3)[C@H](C)C2)c1	ZINC001094029004	959551912	/nfs/dbraw/zinc/55/19/12/959551912.db2.gz	PNVJYRSTKWBWIZ-CRAIPNDOSA-N	1	0	364.449	1.964	20	30		FDEDRO
COc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3ccccc3C#N)[C@H](C)C2)n1	ZINC001094091327	959755480	/nfs/dbraw/zinc/75/54/80/959755480.db2.gz	WZEGEVMDPHLODG-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ncc(C4CC4)o3)[C@H](C)C2)nn1	ZINC001094095236	959770788	/nfs/dbraw/zinc/77/07/88/959770788.db2.gz	KOZXTGIGOZEOPG-UKRRQHHQSA-N	1	0	370.457	1.827	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]C[C@@H]3CCCCO3)[C@H](C)C2)nn1	ZINC001094099515	959782522	/nfs/dbraw/zinc/78/25/22/959782522.db2.gz	FRECJURJZRCPOA-ZACQAIPSSA-N	1	0	361.490	1.721	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nccc(C)n2)[C@H](C)C1	ZINC001094103157	959884611	/nfs/dbraw/zinc/88/46/11/959884611.db2.gz	DMKVYYRXVDXKIH-NWGLXNPWSA-N	1	0	358.486	1.950	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH2+]Cc3cccc(C#N)c3)[C@H](C)C2)C1	ZINC001094156330	959926136	/nfs/dbraw/zinc/92/61/36/959926136.db2.gz	MRRHBMZSZQAKOU-GPMSIDNRSA-N	1	0	368.481	1.611	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](C)c3nnc(C)[nH]3)[C@H](C)C2)nc1	ZINC001094174424	959977112	/nfs/dbraw/zinc/97/71/12/959977112.db2.gz	IGWCOZYFUFOGDO-XJKCOSOUSA-N	1	0	352.442	1.548	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]C[C@H]3CCc4ncnn43)[C@H](C)C2)cn1	ZINC001094176299	959981745	/nfs/dbraw/zinc/98/17/45/959981745.db2.gz	HLHNEFNNFPMZBN-QGPMSJSTSA-N	1	0	364.453	1.140	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cn(CC)nn3)[C@H](C)C2)cn1	ZINC001094176511	959981926	/nfs/dbraw/zinc/98/19/26/959981926.db2.gz	ONTGIPPYIUZRLM-GDBMZVCRSA-N	1	0	352.442	1.172	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]CC2CCOCC2)[C@H](C)C1	ZINC001094176504	959982202	/nfs/dbraw/zinc/98/22/02/959982202.db2.gz	OJJNRHKPCHWHEX-SJLPKXTDSA-N	1	0	371.481	1.818	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001094177155	959984178	/nfs/dbraw/zinc/98/41/78/959984178.db2.gz	NOGNPQBFUYVLHR-VMGRFDJRSA-N	1	0	358.417	1.160	20	30		FDEDRO
C=C[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1)c1ccccc1	ZINC001094237226	960148386	/nfs/dbraw/zinc/14/83/86/960148386.db2.gz	YMYGRCMCFCSDRS-DJIMGWMZSA-N	1	0	369.469	1.262	20	30		FDEDRO
C=C(C)CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)nn2)C1	ZINC001094306712	960241430	/nfs/dbraw/zinc/24/14/30/960241430.db2.gz	QHDBRECVJZEESG-WKULXVSPSA-N	1	0	357.458	1.141	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@](C)(O)C=C)C2	ZINC001110495826	972491826	/nfs/dbraw/zinc/49/18/26/972491826.db2.gz	KNTGINVBVMPARS-PDOICOKGSA-N	1	0	361.486	1.236	20	30		FDEDRO
C=C(C)CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3c3cccnc3)nn2)C1	ZINC001094321775	960280582	/nfs/dbraw/zinc/28/05/82/960280582.db2.gz	RFTQZICTFQTDOX-RBUKOAKNSA-N	1	0	366.469	1.916	20	30		FDEDRO
N#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NC2CC2)CC3)[nH]1	ZINC001094395232	960345474	/nfs/dbraw/zinc/34/54/74/960345474.db2.gz	ANPZEXKBFUWRBM-VQIMIIECSA-N	1	0	355.442	1.139	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2	ZINC001110156813	960399115	/nfs/dbraw/zinc/39/91/15/960399115.db2.gz	AXUOUHVUUIOAMS-SQNIBIBYSA-N	1	0	362.518	1.249	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(OCC(N)=O)c3)CCC[C@@H]12	ZINC001094428210	960431516	/nfs/dbraw/zinc/43/15/16/960431516.db2.gz	YTMZZIFHRXBQFU-WIYYLYMNSA-N	1	0	369.465	1.548	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1conc1C)CC2	ZINC001094436614	960478864	/nfs/dbraw/zinc/47/88/64/960478864.db2.gz	ZCYYROZHGSPKSW-QKNQBKEWSA-N	1	0	370.497	1.941	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)C3CC4(C3)CS(=O)(=O)C4)CCC[C@@H]12	ZINC001094448980	960520723	/nfs/dbraw/zinc/52/07/23/960520723.db2.gz	FWJFCNROJOWFFN-VQIMIIECSA-N	1	0	364.511	1.195	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4c(c3)N(C)C(=O)C4)CCC[C@@H]12	ZINC001094460499	960562022	/nfs/dbraw/zinc/56/20/22/960562022.db2.gz	CQEQNQJLRYRMFQ-WIYYLYMNSA-N	1	0	351.450	1.813	20	30		FDEDRO
Cn1nnc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2cccc(C#N)c2)CC3)n1	ZINC001094492840	960593357	/nfs/dbraw/zinc/59/33/57/960593357.db2.gz	GJAYEACHHHDFBG-VQIMIIECSA-N	1	0	365.441	1.256	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@H]4CNC(=O)N4)CCC[C@@H]23)c1	ZINC001094501169	960627495	/nfs/dbraw/zinc/62/74/95/960627495.db2.gz	HQIXVTLUNZGYEN-MBOZVWFJSA-N	1	0	367.453	1.100	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@@H]4CNC(=O)N4)CCC[C@@H]23)cc1	ZINC001094502245	960639608	/nfs/dbraw/zinc/63/96/08/960639608.db2.gz	WCKAGJDYDODUQB-SQGPQFPESA-N	1	0	367.453	1.100	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cn(C)nc3[C@H]3CCOC3)CCC[C@@H]12	ZINC001094478631	960655559	/nfs/dbraw/zinc/65/55/59/960655559.db2.gz	YBFQTGFIUYERID-YRISNDGFSA-N	1	0	370.497	1.922	20	30		FDEDRO
CC(C)(C)[N@H+]1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)N[C@H](C#N)C(N)=O)C1	ZINC001181345014	960809307	/nfs/dbraw/zinc/80/93/07/960809307.db2.gz	CQYLDCGYDHLIJN-GZBFAFLISA-N	1	0	364.396	1.272	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2ccncc2)C[C@H]1C	ZINC001181525106	960904832	/nfs/dbraw/zinc/90/48/32/960904832.db2.gz	DMPPBELRZLNBSE-LNNXQNCSSA-N	1	0	368.481	1.009	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cn([C@H]4CCOC4)nn3)CCC[C@@H]12	ZINC001094556497	960908851	/nfs/dbraw/zinc/90/88/51/960908851.db2.gz	VPQQQYMJUZWRJY-KVSKMBFKSA-N	1	0	359.474	1.790	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C[C@H]1C	ZINC001181541892	960924727	/nfs/dbraw/zinc/92/47/27/960924727.db2.gz	ZMWKZHQLXDVLMK-ZIKOTGLESA-N	1	0	359.514	1.965	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4c(C)nn(C)c4n3)CCC[C@@H]12	ZINC001094585370	960947782	/nfs/dbraw/zinc/94/77/82/960947782.db2.gz	UIKUZEACAKRNFI-YLJYHZDGSA-N	1	0	351.454	1.884	20	30		FDEDRO
C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1	ZINC000773948151	961187301	/nfs/dbraw/zinc/18/73/01/961187301.db2.gz	JGSAIGSNBKKYTG-HNNXBMFYSA-N	1	0	356.470	1.636	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NCC[N@H+]1CCCC(C)(C)C1	ZINC000773949944	961236185	/nfs/dbraw/zinc/23/61/85/961236185.db2.gz	NRUNQVNVKIYWCB-UHFFFAOYSA-N	1	0	357.454	1.875	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@]12C[C@H]1CCC2	ZINC001171866638	961335586	/nfs/dbraw/zinc/33/55/86/961335586.db2.gz	WYEOMIYCHBWCEM-SPYBWZPUSA-N	1	0	364.490	1.453	20	30		FDEDRO
COCCC[NH+]1CCC(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1	ZINC001172252131	961601767	/nfs/dbraw/zinc/60/17/67/961601767.db2.gz	HUQRTPSRHDNJSS-KRWDZBQOSA-N	1	0	366.506	1.932	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CC(N2CCN(c3ncccn3)CC2)C1	ZINC001172309519	961617652	/nfs/dbraw/zinc/61/76/52/961617652.db2.gz	UUZPUMUYUYLBOJ-KRWDZBQOSA-N	1	0	362.481	1.786	20	30		FDEDRO
COCCN1CCO[C@H]2C[N@@H+]([C@@H](C)Cc3ccc(C#N)cc3)CC[C@H]2C1=O	ZINC001172308986	961617673	/nfs/dbraw/zinc/61/76/73/961617673.db2.gz	QDJSEQYPAPKWNV-DBVUQKKJSA-N	1	0	371.481	1.685	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CCN(C(=O)N2CCOCC2)CC1	ZINC001172294726	961633653	/nfs/dbraw/zinc/63/36/53/961633653.db2.gz	LDGJSCICTRJSRF-MRXNPFEDSA-N	1	0	356.470	1.995	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cnn3c2cccc3OC)c1C#N	ZINC001182253089	961659893	/nfs/dbraw/zinc/65/98/93/961659893.db2.gz	QKDKDTQAGPQAEH-UHFFFAOYSA-N	1	0	353.386	1.342	20	30		FDEDRO
COCCC[NH+]1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1	ZINC001172986062	961867649	/nfs/dbraw/zinc/86/76/49/961867649.db2.gz	UINBVMYIZADVRM-SJORKVTESA-N	1	0	366.506	1.932	20	30		FDEDRO
C=CCOC1CCC([N@@H+]2CCOC[C@@]3(CN(C(C)=O)CCO3)C2)CC1	ZINC001173320907	962004810	/nfs/dbraw/zinc/00/48/10/962004810.db2.gz	UFCVRVJRSDLKIS-CTWPCTMYSA-N	1	0	352.475	1.450	20	30		FDEDRO
COCCN1CCN(C)C2(CC[NH+](C3CCC(CC#N)CC3)CC2)C1=O	ZINC001173335098	962007600	/nfs/dbraw/zinc/00/76/00/962007600.db2.gz	ABFIRIJWOZJFLX-UHFFFAOYSA-N	1	0	362.518	1.714	20	30		FDEDRO
COC(=O)CO[C@H]1CC[N@@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1	ZINC001173436355	962102980	/nfs/dbraw/zinc/10/29/80/962102980.db2.gz	SLPLJPOXWNRXSM-SFHVURJKSA-N	1	0	371.437	1.427	20	30		FDEDRO
CC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1	ZINC001173436534	962105088	/nfs/dbraw/zinc/10/50/88/962105088.db2.gz	VYZWQQWARJPZIH-LJQANCHMSA-N	1	0	354.454	1.715	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+]CC(=O)N3CCCCC3)CC2)cc1	ZINC001173424186	962125209	/nfs/dbraw/zinc/12/52/09/962125209.db2.gz	USTWCZXMJSGHQC-UHFFFAOYSA-N	1	0	354.454	1.765	20	30		FDEDRO
CC(C)N1C[C@@H]([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1=O	ZINC001173425626	962133777	/nfs/dbraw/zinc/13/37/77/962133777.db2.gz	FYWMLXFNIXDULS-SFHVURJKSA-N	1	0	354.454	1.762	20	30		FDEDRO
CC(C)N1C[C@H]([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1=O	ZINC001173425624	962134282	/nfs/dbraw/zinc/13/42/82/962134282.db2.gz	FYWMLXFNIXDULS-GOSISDBHSA-N	1	0	354.454	1.762	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH+]3CC(N4CCOCC4)C3)CC2)cc1	ZINC001173431951	962150328	/nfs/dbraw/zinc/15/03/28/962150328.db2.gz	RPGRWWCDOZUBPA-UHFFFAOYSA-N	1	0	354.454	1.179	20	30		FDEDRO
CCOC(=O)C1(NC(=O)Cc2c[nH]c3cccc(C#N)c23)CC[NH+](C)CC1	ZINC001182584081	962324089	/nfs/dbraw/zinc/32/40/89/962324089.db2.gz	XMSRPGPXWMVJNO-UHFFFAOYSA-N	1	0	368.437	1.726	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(C)(C)CC)C1	ZINC001182670611	962382362	/nfs/dbraw/zinc/38/23/62/962382362.db2.gz	SMDKUCUMXSSULS-OAGGEKHMSA-N	1	0	351.491	1.463	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#Cc1ccc(F)cc1	ZINC001095240771	962522679	/nfs/dbraw/zinc/52/26/79/962522679.db2.gz	CQPOYCDUMRBHNC-FUMNGEBKSA-N	1	0	355.457	1.993	20	30		FDEDRO
N#CC1(C[NH2+]C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1	ZINC001173694053	962585430	/nfs/dbraw/zinc/58/54/30/962585430.db2.gz	KIWRPIVEUXYMRZ-UHFFFAOYSA-N	1	0	364.427	1.641	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CC[C@]2(C[C@@H]2C(=O)NCc2cccnc2)C1	ZINC001183043202	962754526	/nfs/dbraw/zinc/75/45/26/962754526.db2.gz	MORBRYHHNWVARX-NQIIRXRSSA-N	1	0	368.481	1.588	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1C[C@@H]2COC[C@]2(COCc2ccncc2)C1	ZINC001183042869	962754720	/nfs/dbraw/zinc/75/47/20/962754720.db2.gz	GTLVWLBSTJJEOC-TZIWHRDSSA-N	1	0	371.481	1.725	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CC(N2CCN(c3ccccn3)CC2)C1	ZINC001183045099	962757776	/nfs/dbraw/zinc/75/77/76/962757776.db2.gz	UAWVYFLDYDHQOP-UHFFFAOYSA-N	1	0	355.486	1.066	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1	ZINC001183044245	962758205	/nfs/dbraw/zinc/75/82/05/962758205.db2.gz	FPCXUIPEYGIZDQ-HDICACEKSA-N	1	0	367.449	1.282	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)OC(C)(C)C	ZINC001183044059	962758531	/nfs/dbraw/zinc/75/85/31/962758531.db2.gz	BUJWZGFRBGMVFS-AWEZNQCLSA-N	1	0	351.447	1.681	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@](C)(NC(=O)[C@@H]3C[C@H]3CCC)C2)CC1	ZINC000957523855	1013371789	/nfs/dbraw/zinc/37/17/89/1013371789.db2.gz	OUPAHRUFQCDOFL-DBXWQHBBSA-N	1	0	359.514	1.875	20	30		FDEDRO
C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1	ZINC001175237730	963104830	/nfs/dbraw/zinc/10/48/30/963104830.db2.gz	RVCHTDBTBYATEQ-KFWWJZLASA-N	1	0	359.898	1.639	20	30		FDEDRO
C=CC[N@@H+]1CCC[C@H]1CNC(=O)CCN1C(=O)Cc2ccccc2C1=O	ZINC001183531276	963124820	/nfs/dbraw/zinc/12/48/20/963124820.db2.gz	VZKRYBNNGBSUMF-INIZCTEOSA-N	1	0	355.438	1.368	20	30		FDEDRO
C[C@@H](CCCC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)[C@H]1C[C@H]1C(N)=O	ZINC001175289960	963126324	/nfs/dbraw/zinc/12/63/24/963126324.db2.gz	XGVDAJCFUMSTRP-MAZHCROVSA-N	1	0	360.433	1.583	20	30		FDEDRO
C[C@@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1C[C@H]1c1cccnc1	ZINC001175395555	963155782	/nfs/dbraw/zinc/15/57/82/963155782.db2.gz	ASYUYEQXMKLGSB-BHYGNILZSA-N	1	0	357.458	1.089	20	30		FDEDRO
C[C@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1C[C@H]1c1cccnc1	ZINC001175395556	963156076	/nfs/dbraw/zinc/15/60/76/963156076.db2.gz	ASYUYEQXMKLGSB-HYVNUMGLSA-N	1	0	357.458	1.089	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1nn(CC)nc1C	ZINC001175364963	963170126	/nfs/dbraw/zinc/17/01/26/963170126.db2.gz	GCPORRJTUMOQCI-KYJSFNMBSA-N	1	0	363.506	1.962	20	30		FDEDRO
C=C1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)N(CC[NH3+])CC(=O)OCC)C1	ZINC001183626308	963198657	/nfs/dbraw/zinc/19/86/57/963198657.db2.gz	XRKVSJWAWGKXRX-SFHVURJKSA-N	1	0	369.462	1.293	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000796456072	1013406577	/nfs/dbraw/zinc/40/65/77/1013406577.db2.gz	BGARLEXOBXYJNO-SJLPKXTDSA-N	1	0	357.454	1.763	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCS(C)(=O)=O	ZINC001175664660	963260539	/nfs/dbraw/zinc/26/05/39/963260539.db2.gz	XEBRAQAKKRSIGC-JYJNAYRXSA-N	1	0	360.520	1.277	20	30		FDEDRO
CN1C(=O)CC[C@H]1C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1	ZINC001184335627	963552738	/nfs/dbraw/zinc/55/27/38/963552738.db2.gz	HYOLTAIRHAVZEU-BZSNNMDCSA-N	1	0	354.454	1.778	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCO[C@H]3CC)C2)c1	ZINC001184462724	963626337	/nfs/dbraw/zinc/62/63/37/963626337.db2.gz	PRUMXWNKYFNRJU-QRVBRYPASA-N	1	0	369.465	1.612	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)/C(C)=C/CC)C2	ZINC001110350513	963655218	/nfs/dbraw/zinc/65/52/18/963655218.db2.gz	FZPRWHMKZWWUBK-IVUQUVHOSA-N	1	0	362.474	1.465	20	30		FDEDRO
C#CCN1CC(O)(CN(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001177529443	963867288	/nfs/dbraw/zinc/86/72/88/963867288.db2.gz	KGPSCHMWEAEOLP-IEBWSBKVSA-N	1	0	355.482	1.035	20	30		FDEDRO
CC(C)C[C@H](C(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1	ZINC001110211259	963899688	/nfs/dbraw/zinc/89/96/88/963899688.db2.gz	GQJFAGNNFRPIIG-YRXWBPOGSA-N	1	0	368.481	1.927	20	30		FDEDRO
O=C(C#Cc1ccccn1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001177800621	963973876	/nfs/dbraw/zinc/97/38/76/963973876.db2.gz	CQQITXFTBBMGNR-VQTJNVASSA-N	1	0	362.433	1.330	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CCC(C)C)NC(C)=O)C2	ZINC001110214391	964026763	/nfs/dbraw/zinc/02/67/63/964026763.db2.gz	GUYMZOBNYAIWGZ-YRXWBPOGSA-N	1	0	365.518	1.851	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1Cc3cccc(C)c3O1)C2	ZINC001110216279	964085928	/nfs/dbraw/zinc/08/59/28/964085928.db2.gz	HJNXUTFKCPKBKS-OWSLCNJRSA-N	1	0	369.465	1.322	20	30		FDEDRO
C=CCC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]3CCO[C@H]3C=C)C2)nn1	ZINC001186007972	964251460	/nfs/dbraw/zinc/25/14/60/964251460.db2.gz	MJKNBDYSCAVCQB-KSZLIROESA-N	1	0	359.474	1.698	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1ccncc1	ZINC001178518637	964268461	/nfs/dbraw/zinc/26/84/61/964268461.db2.gz	UAYZNYBGNZNMRQ-YTQUADARSA-N	1	0	370.497	1.589	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1ccncc1	ZINC001178518636	964268597	/nfs/dbraw/zinc/26/85/97/964268597.db2.gz	UAYZNYBGNZNMRQ-NZSAHSFTSA-N	1	0	370.497	1.589	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)C(N)=O)C1	ZINC001186196576	964345495	/nfs/dbraw/zinc/34/54/95/964345495.db2.gz	NRBBPONMCXBMCJ-NVXWUHKLSA-N	1	0	363.433	1.035	20	30		FDEDRO
N#CCN1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cc2ncc[nH]2)C1	ZINC001186203434	964349716	/nfs/dbraw/zinc/34/97/16/964349716.db2.gz	LWGFDRPGDSPDCQ-NVXWUHKLSA-N	1	0	355.417	1.837	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cn2cncn2)C1	ZINC001186214228	964379691	/nfs/dbraw/zinc/37/96/91/964379691.db2.gz	WKCBPGIXICELCI-SJLPKXTDSA-N	1	0	355.417	1.272	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCCN2CCCC2=O)C1	ZINC001186213711	964379882	/nfs/dbraw/zinc/37/98/82/964379882.db2.gz	LCXANIOOHBFNKY-AOIWGVFYSA-N	1	0	363.502	1.561	20	30		FDEDRO
C[N@@H+]1CCC[C@H](C(=O)NC2CCN(C(=O)c3ccccc3C#N)CC2)C1	ZINC001186364545	964448228	/nfs/dbraw/zinc/44/82/28/964448228.db2.gz	PFCZSHIBOBAIOC-INIZCTEOSA-N	1	0	354.454	1.621	20	30		FDEDRO
C=CCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)CC12CCOCC2	ZINC001186409644	964477261	/nfs/dbraw/zinc/47/72/61/964477261.db2.gz	BFBQEARYZHQUOE-BZSNNMDCSA-N	1	0	366.502	1.601	20	30		FDEDRO
N#CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1ccsc1	ZINC001178823997	964477064	/nfs/dbraw/zinc/47/70/64/964477064.db2.gz	ZNTYJSDHNVYTPJ-JKSUJKDBSA-N	1	0	362.499	1.758	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2CC)CC12CCOCC2	ZINC001186495134	964524696	/nfs/dbraw/zinc/52/46/96/964524696.db2.gz	YJUHBUNTLMLHJH-IXDOHACOSA-N	1	0	363.502	1.180	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+]CC(=O)N[C@H](C)C1CC1	ZINC001179637886	964941740	/nfs/dbraw/zinc/94/17/40/964941740.db2.gz	BWEIFONWQAOLJI-NXHRZFHOSA-N	1	0	365.518	1.758	20	30		FDEDRO
C#CCCCNC(=O)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1	ZINC000775084791	964986039	/nfs/dbraw/zinc/98/60/39/964986039.db2.gz	RWONNVHDJPXEOX-SFHVURJKSA-N	1	0	357.454	1.478	20	30		FDEDRO
CC(C)[NH+]1CCN(CC(=O)Nc2c(C#N)cnnc2-c2ccccc2)CC1	ZINC001180343251	965234292	/nfs/dbraw/zinc/23/42/92/965234292.db2.gz	TWUCHWUVCHZLGX-UHFFFAOYSA-N	1	0	364.453	1.980	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccccc1Br	ZINC000815860193	965329557	/nfs/dbraw/zinc/32/95/57/965329557.db2.gz	ACYBBAZXLIRYOI-UHFFFAOYSA-N	1	0	352.232	1.459	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1C[C@@H]2CCN(C(=O)COCCCC)[C@@H]2C1	ZINC001187440314	965346833	/nfs/dbraw/zinc/34/68/33/965346833.db2.gz	FSSNTJAKPDNQAH-ZWKOTPCHSA-N	1	0	363.502	1.536	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](CCCc3cccc(F)c3)C[C@H]21	ZINC001187605444	965555237	/nfs/dbraw/zinc/55/52/37/965555237.db2.gz	KOMUVFVKVUKEAW-PKOBYXMFSA-N	1	0	371.456	1.431	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H](CC#N)C(=O)n1ccc([C@H]2CCC[NH2+]2)nc1=N	ZINC001180782002	965592585	/nfs/dbraw/zinc/59/25/85/965592585.db2.gz	YWHRRWXCKUWNDA-YPMHNXCESA-N	1	0	360.418	1.234	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)[C@H](CC#N)NC(=O)OC(C)(C)C)CC1	ZINC001180782162	965592750	/nfs/dbraw/zinc/59/27/50/965592750.db2.gz	BFTRXLBOGZCQJK-HNNXBMFYSA-N	1	0	368.478	1.410	20	30		FDEDRO
COCCN(C(=O)[C@H](CC#N)NC(=O)OC(C)(C)C)C1CC[NH+](C)CC1	ZINC001180783615	965594702	/nfs/dbraw/zinc/59/47/02/965594702.db2.gz	SHCVLJIGUIPXGY-HNNXBMFYSA-N	1	0	368.478	1.363	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@@H+](CCOc3cccc(C)c3)C[C@H]21	ZINC001187857484	965797133	/nfs/dbraw/zinc/79/71/33/965797133.db2.gz	NHJQIEOUMPHLKU-AZUAARDMSA-N	1	0	356.466	1.946	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccnc(N(C)C)c3)C[C@H]21	ZINC001187865221	965809805	/nfs/dbraw/zinc/80/98/05/965809805.db2.gz	MYIOWJCFWWMKGV-ZWKOTPCHSA-N	1	0	356.470	1.220	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)COc3c(C)nn(C)c3C)[C@@H]2C1	ZINC001187930314	965911678	/nfs/dbraw/zinc/91/16/78/965911678.db2.gz	QILQCCHKENVBEC-DLBZAZTESA-N	1	0	362.474	1.151	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)NC(=O)COC)[C@@H]2C1	ZINC001187996115	965949829	/nfs/dbraw/zinc/94/98/29/965949829.db2.gz	AOBJRLVSZDRPAV-IXDOHACOSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3c4c(nn3C)CCCC4)[C@@H]2C1	ZINC001188051063	965968350	/nfs/dbraw/zinc/96/83/50/965968350.db2.gz	GSJBRKMMENIQSO-MAUKXSAKSA-N	1	0	358.486	1.648	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)NC(C)C)C[C@H]21	ZINC001188033670	965983273	/nfs/dbraw/zinc/98/32/73/965983273.db2.gz	MJFJOXZYWIIIGR-ZWKOTPCHSA-N	1	0	362.518	1.995	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@@H+](CCOCCNC(C)=O)C[C@H]21	ZINC001188063975	965987527	/nfs/dbraw/zinc/98/75/27/965987527.db2.gz	UPPLYLJFZNCQBW-DLBZAZTESA-N	1	0	351.491	1.274	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1CC[C@H]2C[N@H+](CCc3ccnn3C)C[C@H]21)OCC	ZINC001188095044	966004188	/nfs/dbraw/zinc/00/41/88/966004188.db2.gz	DQJXCXVUMPJLGC-QXAKKESOSA-N	1	0	360.502	1.867	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCCCCCC3=O)[C@@H]2C1	ZINC001188132000	966049127	/nfs/dbraw/zinc/04/91/27/966049127.db2.gz	WLOGMBMVSHFZNU-ZWKOTPCHSA-N	1	0	363.502	1.514	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)CC3(C(F)(F)F)CC3)[C@@H]2C1	ZINC001188181261	966082453	/nfs/dbraw/zinc/08/24/53/966082453.db2.gz	FPMRHQIXNYZZDO-HZSPNIEDSA-N	1	0	371.403	1.390	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2C1	ZINC001188247604	966118199	/nfs/dbraw/zinc/11/81/99/966118199.db2.gz	ZFRHCQDHFBJOQR-SOUVJXGZSA-N	1	0	350.463	1.088	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cncn4)cc3)[C@@H]2C1	ZINC001188255418	966159859	/nfs/dbraw/zinc/15/98/59/966159859.db2.gz	MOSHAMIKNQYIMW-PKOBYXMFSA-N	1	0	367.453	1.616	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc([C@H]4CCOC4)c3)[C@@H]2C1	ZINC001188388976	966257545	/nfs/dbraw/zinc/25/75/45/966257545.db2.gz	YCJISMLALSCPIE-PCCBWWKXSA-N	1	0	368.477	1.987	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCCCS3(=O)=O)[C@@H]2C1	ZINC001188561366	966394176	/nfs/dbraw/zinc/39/41/76/966394176.db2.gz	BLIVQJOTCSSJFA-IXDOHACOSA-N	1	0	369.531	1.299	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3nc(C)c4cccnc43)[C@@H]2C1	ZINC001188623377	966471577	/nfs/dbraw/zinc/47/15/77/966471577.db2.gz	VPFNKSWQNUJKCA-FUHWJXTLSA-N	1	0	369.469	1.475	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cnnn4)cn3)[C@@H]2C1	ZINC001188636956	966483844	/nfs/dbraw/zinc/48/38/44/966483844.db2.gz	YPSXZIQHQHZOFQ-RLFYNMQTSA-N	1	0	367.457	1.558	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cncc(C)c3)[C@@H]2C1	ZINC001188690732	966499652	/nfs/dbraw/zinc/49/96/52/966499652.db2.gz	PGHJWEJUPCFEBR-RYQLBKOJSA-N	1	0	356.470	1.156	20	30		FDEDRO
C#Cc1ccc(C(=O)N(Cc2ncn3c2C[NH2+]CCC3)c2ncccn2)cc1	ZINC001188729178	966540350	/nfs/dbraw/zinc/54/03/50/966540350.db2.gz	WGEOUAXGZQYCTP-UHFFFAOYSA-N	1	0	372.432	1.995	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3ccccn3)[C@@H]2C1	ZINC001188760240	966563904	/nfs/dbraw/zinc/56/39/04/966563904.db2.gz	WCQMJNVIBLGJFZ-XYJFISCASA-N	1	0	356.470	1.238	20	30		FDEDRO
C#CCCCCCC(=O)N1CC[C@H]2C[N@@H+](CCOCCNC(C)=O)C[C@H]21	ZINC001188807742	966595032	/nfs/dbraw/zinc/59/50/32/966595032.db2.gz	MBMCPCBSQUPXDH-RBUKOAKNSA-N	1	0	363.502	1.256	20	30		FDEDRO
C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)C1	ZINC000964513246	1013664310	/nfs/dbraw/zinc/66/43/10/1013664310.db2.gz	ZEPLKEALWYTUBX-RFRVAGDPSA-N	1	0	354.878	1.807	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cc(C)cc(C)c3)[C@@H]2C1	ZINC001189013164	966700597	/nfs/dbraw/zinc/70/05/97/966700597.db2.gz	XAAOJVJFMNHLNK-YZGWKJHDSA-N	1	0	367.493	1.517	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)c3ccc(Cl)[nH]3)[C@@H]2C1	ZINC001189067894	966731294	/nfs/dbraw/zinc/73/12/94/966731294.db2.gz	BQZLHTOPZWBCTG-MBNYWOFBSA-N	1	0	350.850	1.505	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)[C@@H]2C1	ZINC001189341610	966922017	/nfs/dbraw/zinc/92/20/17/966922017.db2.gz	GQQNESBUIQZRKE-KTIPNOMGSA-N	1	0	350.462	1.755	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CNC(=O)C3CCOCC3)[C@@H]2C1	ZINC001189454072	967000672	/nfs/dbraw/zinc/00/06/72/967000672.db2.gz	QKCMALGMOTUTNY-BPQIPLTHSA-N	1	0	363.502	1.417	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C1(CO)CCN(C(=O)OC(C)(C)C)CC1	ZINC000852177752	967054950	/nfs/dbraw/zinc/05/49/50/967054950.db2.gz	BPRASXNPEBRSQL-UHFFFAOYSA-N	1	0	368.478	1.100	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1	ZINC000957644025	1013701477	/nfs/dbraw/zinc/70/14/77/1013701477.db2.gz	UZCMIDCGABNEIJ-GQIGUUNPSA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CCC[NH+]1CCN(CCN2c3cccc4cccc(c34)S2(=O)=O)CC1	ZINC000776593553	967279594	/nfs/dbraw/zinc/27/95/94/967279594.db2.gz	LHQSSDNMPBOSGO-UHFFFAOYSA-N	1	0	369.490	1.989	20	30		FDEDRO
CS(=O)(=O)N(CC[NH3+])C(=O)c1cc(F)c(Cl)c(C#N)c1Cl	ZINC001189825473	967285863	/nfs/dbraw/zinc/28/58/63/967285863.db2.gz	FDMFPNHNAPQUNQ-UHFFFAOYSA-N	1	0	354.190	1.365	20	30		FDEDRO
C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H](C)c3ccc(C)cc3)[C@@H]2C1	ZINC001189828750	967287511	/nfs/dbraw/zinc/28/75/11/967287511.db2.gz	FMDNWRKOOZPZFU-NZSAHSFTSA-N	1	0	353.466	1.381	20	30		FDEDRO
C=CCNC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1	ZINC000852473099	967357036	/nfs/dbraw/zinc/35/70/36/967357036.db2.gz	JCNHMRMTPLYSNL-KGLIPLIRSA-N	1	0	361.408	1.944	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH]c4ccccc34)[C@@H]2C1	ZINC001189923503	967388160	/nfs/dbraw/zinc/38/81/60/967388160.db2.gz	QUXMWYDMHVYPII-OXJNMPFZSA-N	1	0	351.450	1.893	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=O)C[NH2+][C@@H](C)c2cccc(C#N)c2)CC1	ZINC000775337353	967468318	/nfs/dbraw/zinc/46/83/18/967468318.db2.gz	FMBLEOWBMQCXAU-AWEZNQCLSA-N	1	0	358.442	1.946	20	30		FDEDRO
C#C[C@H](NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C1CCOCC1	ZINC000852642220	967493422	/nfs/dbraw/zinc/49/34/22/967493422.db2.gz	JMTRDCSYVWTYCF-FHWLQOOXSA-N	1	0	363.502	1.482	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(C)c(C)c3)[C@@H]2C1	ZINC001190059607	967524393	/nfs/dbraw/zinc/52/43/93/967524393.db2.gz	WPUZYFQBQURIEC-YZGWKJHDSA-N	1	0	367.493	1.517	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccccc3C)[C@@H]2C1	ZINC001190099901	967535773	/nfs/dbraw/zinc/53/57/73/967535773.db2.gz	FDUXZMVTKBDXFU-NZSAHSFTSA-N	1	0	355.482	1.761	20	30		FDEDRO
C#CCC[N@@H+](CCOC)C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852749987	967577293	/nfs/dbraw/zinc/57/72/93/967577293.db2.gz	KEINFVXUIIPJBX-QGZVFWFLSA-N	1	0	354.491	1.966	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)COc3ccc(OC)cc3)[C@@H]2C1	ZINC001190124954	967582739	/nfs/dbraw/zinc/58/27/39/967582739.db2.gz	JJSIQDOBPPKTTE-QFBILLFUSA-N	1	0	358.438	1.257	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCCN(C(=O)c2ccccc2F)CC1	ZINC000852809561	967623188	/nfs/dbraw/zinc/62/31/88/967623188.db2.gz	IDNODSUMMDCOEA-UHFFFAOYSA-N	1	0	357.429	1.503	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@H]([NH3+])C2)cc1	ZINC000852817403	967629941	/nfs/dbraw/zinc/62/99/41/967629941.db2.gz	BWPKBWHSMXLDAA-BWJDGMBRSA-N	1	0	350.444	1.175	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(c3)nc[nH]c4=O)[C@@H]2C1	ZINC001190184202	967635492	/nfs/dbraw/zinc/63/54/92/967635492.db2.gz	DIGAIXLRCQFQPO-MAUKXSAKSA-N	1	0	368.437	1.684	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCc4ccccc43)[C@@H]2C1	ZINC001190221418	967636849	/nfs/dbraw/zinc/63/68/49/967636849.db2.gz	YZPKOLGERYXEHP-AZUAARDMSA-N	1	0	353.466	1.232	20	30		FDEDRO
COc1ccccc1[C@@H](NC(=O)C#CC1CC[NH2+]CC1)c1noc(C)n1	ZINC000852840571	967649640	/nfs/dbraw/zinc/64/96/40/967649640.db2.gz	QIXGCXWVRVPBCD-GOSISDBHSA-N	1	0	354.410	1.595	20	30		FDEDRO
N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1	ZINC000852875608	967681141	/nfs/dbraw/zinc/68/11/41/967681141.db2.gz	KYFTWCLZDCHNAJ-GHYVTOPFSA-N	1	0	365.231	1.149	20	30		FDEDRO
CC(=O)N1CCN(Cc2ccc(NC(=O)C#CC3CC[NH2+]CC3)cc2)CC1	ZINC000852891039	967692874	/nfs/dbraw/zinc/69/28/74/967692874.db2.gz	WRLPFPDLRYRNTE-UHFFFAOYSA-N	1	0	368.481	1.292	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCC(C)C	ZINC001110425858	967738057	/nfs/dbraw/zinc/73/80/57/967738057.db2.gz	ZOXJBYBNLGAZCQ-MKXGPGLRSA-N	1	0	368.518	1.724	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]2C[N@H+](CCCO[C@@H]3CCOC3)C[C@H]21	ZINC001190439577	967850618	/nfs/dbraw/zinc/85/06/18/967850618.db2.gz	APCYZPIMTFUMSD-RCCFBDPRSA-N	1	0	352.475	1.307	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CN(C)Cc3ccccc3)[C@@H]2C1	ZINC001190487158	967871743	/nfs/dbraw/zinc/87/17/43/967871743.db2.gz	SWQNRXYKQMBFKL-VQTJNVASSA-N	1	0	357.498	1.854	20	30		FDEDRO
CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC001190959616	968198744	/nfs/dbraw/zinc/19/87/44/968198744.db2.gz	NMIQRULJAJELBM-UHFFFAOYSA-N	1	0	356.879	1.080	20	30		FDEDRO
CS(=O)(=O)N1CC[C@@H](CO[NH+]=Cc2ccc(N3CCOCC3)cc2)C1	ZINC000853642197	968218729	/nfs/dbraw/zinc/21/87/29/968218729.db2.gz	BRBGHWWIWQFRLY-MRXNPFEDSA-N	1	0	367.471	1.155	20	30		FDEDRO
C#Cc1ccccc1C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1	ZINC001191128278	968288978	/nfs/dbraw/zinc/28/89/78/968288978.db2.gz	HBXQPMDGGJUKGO-UHFFFAOYSA-N	1	0	369.446	1.228	20	30		FDEDRO
CC(C)(O)C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)cc1	ZINC001191166967	968309610	/nfs/dbraw/zinc/30/96/10/968309610.db2.gz	GUGWNJKXIBYJLL-BGYRXZFFSA-N	1	0	368.477	1.744	20	30		FDEDRO
CC(C)(O)C#Cc1ccc(C(=O)n2ccc([C@H]3CCC[NH2+]3)nc2=N)cc1	ZINC001191168614	968311289	/nfs/dbraw/zinc/31/12/89/968311289.db2.gz	WNYGQUIAFZLRFC-MRXNPFEDSA-N	1	0	350.422	1.598	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(Br)cn(C)c1=O	ZINC001191206476	968334099	/nfs/dbraw/zinc/33/40/99/968334099.db2.gz	KXPVVDPNWHMAAB-LBPRGKRZSA-N	1	0	354.248	1.528	20	30		FDEDRO
C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1	ZINC000853849490	968368252	/nfs/dbraw/zinc/36/82/52/968368252.db2.gz	VQJSYXFLTGTYFE-INIZCTEOSA-N	1	0	351.491	1.951	20	30		FDEDRO
N#CCOc1ccc(CC(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1	ZINC000111660444	968372569	/nfs/dbraw/zinc/37/25/69/968372569.db2.gz	KCOFMTHXSPXYDC-UHFFFAOYSA-N	1	0	356.470	1.371	20	30		FDEDRO
COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1	ZINC001191302565	968412797	/nfs/dbraw/zinc/41/27/97/968412797.db2.gz	GXDOYEFONGPCMK-LZNRXBQRSA-N	1	0	368.477	1.909	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c1CCCC3)C2	ZINC001110676685	968560474	/nfs/dbraw/zinc/56/04/74/968560474.db2.gz	LZCXTVGTZDMTKP-MGTHKWJCSA-N	1	0	370.497	1.850	20	30		FDEDRO
COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)CC(F)(F)F)C2)cc1C#N	ZINC001191563892	968614306	/nfs/dbraw/zinc/61/43/06/968614306.db2.gz	BWVKTBIMPNSHPH-CHWSQXEVSA-N	1	0	357.332	1.181	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](CCn2ccc3cc(Cl)ccc32)C[C@H]1O	ZINC001191871965	968825512	/nfs/dbraw/zinc/82/55/12/968825512.db2.gz	ADDVHKNXUWFNLJ-SRCQZFHVSA-N	1	0	360.845	1.616	20	30		FDEDRO
CCOC(=O)C1(NC(=O)c2c(F)cc(C#N)cc2F)CC[NH+](C)CC1	ZINC001191943192	968874328	/nfs/dbraw/zinc/87/43/28/968874328.db2.gz	DFAVYSHGUWBCCT-UHFFFAOYSA-N	1	0	351.353	1.594	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1O	ZINC001192924827	969382146	/nfs/dbraw/zinc/38/21/46/969382146.db2.gz	PJFPLQNFLBKVPA-RCCFBDPRSA-N	1	0	368.518	1.726	20	30		FDEDRO
N#Cc1ccncc1C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001192971992	969412308	/nfs/dbraw/zinc/41/23/08/969412308.db2.gz	ZXMKLWHJAWSZIM-MSOLQXFVSA-N	1	0	363.421	1.464	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)NCCC[N@H+](C)CCCNC(=O)OC(C)(C)C	ZINC001193173474	969501533	/nfs/dbraw/zinc/50/15/33/969501533.db2.gz	OJUVDTQVIARUDM-CYBMUJFWSA-N	1	0	362.496	1.055	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccoc2C)C1	ZINC001193191044	969526584	/nfs/dbraw/zinc/52/65/84/969526584.db2.gz	LEZYCXZOIRYZKZ-IAGOWNOFSA-N	1	0	363.458	1.226	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1CN(Cc2ccc(OC)nc2)C[C@H]1O)OCC	ZINC001193422298	969697534	/nfs/dbraw/zinc/69/75/34/969697534.db2.gz	OJACWAATKDBDKO-ZACQAIPSSA-N	1	0	363.458	1.123	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)C1	ZINC001193427549	969701353	/nfs/dbraw/zinc/70/13/53/969701353.db2.gz	NWCKYEGIKRDPCN-BRWVUGGUSA-N	1	0	351.491	1.151	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCOc2cccc(C)c2C)C1	ZINC001193520935	969734272	/nfs/dbraw/zinc/73/42/72/969734272.db2.gz	YCAZYBDHRKDTHI-QZTJIDSGSA-N	1	0	362.470	1.436	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](CCCCCCC)C[C@H]2O)CCOCC1	ZINC001193727810	969818712	/nfs/dbraw/zinc/81/87/12/969818712.db2.gz	NANOYRDTTUBDCS-QZTJIDSGSA-N	1	0	350.503	1.938	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCC3CCCCC3)C[C@H]2O)CCOCC1	ZINC001193718993	969840469	/nfs/dbraw/zinc/84/04/69/969840469.db2.gz	LTULBNLUKZLWKL-RTBURBONSA-N	1	0	362.514	1.938	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CC[N@@H+]2CC[C@H]1C2	ZINC000854732862	969929853	/nfs/dbraw/zinc/92/98/53/969929853.db2.gz	FZPSEHJHPBUVIQ-GJZGRUSLSA-N	1	0	350.463	1.880	20	30		FDEDRO
C[NH+]1CCN(c2cncc(C(=O)Nc3cc(C#N)c(C#N)cc3N)c2)CC1	ZINC001193945000	969950887	/nfs/dbraw/zinc/95/08/87/969950887.db2.gz	LGYJVAXXYIYLDO-UHFFFAOYSA-N	1	0	361.409	1.411	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3ccccn3c2=O)C1	ZINC001194151580	970024005	/nfs/dbraw/zinc/02/40/05/970024005.db2.gz	JSBTWSQCQPTPMJ-IAGOWNOFSA-N	1	0	370.453	1.216	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(N3CCCC3)n2)C1	ZINC001194258743	970080554	/nfs/dbraw/zinc/08/05/54/970080554.db2.gz	NJCQCLGUWXQPPA-USXIJHARSA-N	1	0	359.474	1.206	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(-c3ccccc3)nn2)C1	ZINC001194391671	970154206	/nfs/dbraw/zinc/15/42/06/970154206.db2.gz	RVDRVYJJBKHBBD-YXJHDRRASA-N	1	0	355.442	1.397	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)C1	ZINC001194493839	970216577	/nfs/dbraw/zinc/21/65/77/970216577.db2.gz	UNVZPVKSRCSAHI-APHBMKBZSA-N	1	0	365.861	1.795	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2c(F)cccc2F)C1	ZINC001194728802	970378807	/nfs/dbraw/zinc/37/88/07/970378807.db2.gz	ICYZZDCGGZTNLB-APHBMKBZSA-N	1	0	354.397	1.432	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(COC)cc1	ZINC001110462129	970431799	/nfs/dbraw/zinc/43/17/99/970431799.db2.gz	YOCMUTWVHNTJCG-QRVBRYPASA-N	1	0	369.465	1.194	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOc1ccccc1C	ZINC001110465514	970660003	/nfs/dbraw/zinc/66/00/03/970660003.db2.gz	GZQQFRBBASKAGU-KURKYZTESA-N	1	0	369.465	1.235	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccccc1Cl	ZINC001110465616	970661378	/nfs/dbraw/zinc/66/13/78/970661378.db2.gz	LQOLNIDJQVZPHI-NXHRZFHOSA-N	1	0	373.884	1.744	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCc1ccsc1	ZINC001110465588	970661634	/nfs/dbraw/zinc/66/16/34/970661634.db2.gz	KINBQTKTNJVRQR-ZACQAIPSSA-N	1	0	359.495	1.542	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOc1cccc(C)c1	ZINC001110466366	970720326	/nfs/dbraw/zinc/72/03/26/970720326.db2.gz	MJNLIXSYRHUOPM-QRQLOZEOSA-N	1	0	369.465	1.235	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC(=O)NCCC)C1	ZINC001197919502	972548545	/nfs/dbraw/zinc/54/85/45/972548545.db2.gz	HDDPOXKLVUKSGT-IAGOWNOFSA-N	1	0	353.507	1.591	20	30		FDEDRO
C#C[C@H]([NH2+][C@H](C)C(=O)N1CCN(c2ccccc2O)CC1)[C@@H]1CCCO1	ZINC000775799872	972569297	/nfs/dbraw/zinc/56/92/97/972569297.db2.gz	NFWJCGNXLAXESW-GJYPPUQNSA-N	1	0	357.454	1.200	20	30		FDEDRO
COC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC(=O)NCc2cccc(C#N)c2)C1	ZINC000775811394	972627137	/nfs/dbraw/zinc/62/71/37/972627137.db2.gz	PHBPLUHMLXZQKU-YOEHRIQHSA-N	1	0	358.442	1.631	20	30		FDEDRO
COCCCn1c(=O)c2ccccc2nc1N=NC1C[N@@H+]2C[C@@H]1CCC2	ZINC000863076005	972660325	/nfs/dbraw/zinc/66/03/25/972660325.db2.gz	DPLVJOURYQZUMW-AWEZNQCLSA-N	1	0	355.442	1.927	20	30		FDEDRO
CCCCCCCCC(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1O	ZINC001198081633	972737056	/nfs/dbraw/zinc/73/70/56/972737056.db2.gz	PAURQTCBGVMGJD-QZTJIDSGSA-N	1	0	350.507	1.875	20	30		FDEDRO
CCCCCCCCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@H]1O	ZINC001198068854	972760245	/nfs/dbraw/zinc/76/02/45/972760245.db2.gz	NCNDSCYURLCMFN-KZNAEPCWSA-N	1	0	358.523	1.686	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCc2sccc2C)C1	ZINC001198193891	972910095	/nfs/dbraw/zinc/91/00/95/972910095.db2.gz	SVCPWVIZKVNJIW-HZPDHXFCSA-N	1	0	352.500	1.743	20	30		FDEDRO
C=CC[NH+](CC=C)CCN1CCN(S(=O)(=O)c2ccc(C)nc2)CC1	ZINC001198300848	972966654	/nfs/dbraw/zinc/96/66/54/972966654.db2.gz	DJCJJGHAAAJEAY-UHFFFAOYSA-N	1	0	364.515	1.370	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]Cc2cccc(N3CCOC3=O)c2)CCOCC1	ZINC000863552211	973009351	/nfs/dbraw/zinc/00/93/51/973009351.db2.gz	WGJBNLDPVZHPMI-QGZVFWFLSA-N	1	0	359.426	1.804	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]C[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)CC1	ZINC000863562566	973018183	/nfs/dbraw/zinc/01/81/83/973018183.db2.gz	LEULLBJQERHIGV-TZMCWYRMSA-N	1	0	352.818	1.789	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)cc1	ZINC000863585250	973034270	/nfs/dbraw/zinc/03/42/70/973034270.db2.gz	SSPYISBNNRBAOB-WOJBJXKFSA-N	1	0	352.438	1.477	20	30		FDEDRO
C=C(Br)CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000841745642	973148894	/nfs/dbraw/zinc/14/88/94/973148894.db2.gz	RPNZSPFECYGNGT-SECBINFHSA-N	1	0	359.190	1.030	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CCC(=O)N2CCOc3ccccc32)CC1	ZINC000794549691	973151046	/nfs/dbraw/zinc/15/10/46/973151046.db2.gz	SEAXJOADCMTBHN-UHFFFAOYSA-N	1	0	355.438	1.264	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C	ZINC000863800036	973219953	/nfs/dbraw/zinc/21/99/53/973219953.db2.gz	VUSUQLHVWRWSCN-MRXNPFEDSA-N	1	0	367.453	1.332	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)c1C#N	ZINC000863856231	973269471	/nfs/dbraw/zinc/26/94/71/973269471.db2.gz	LPIPLKVJHBKSQO-ZWKOTPCHSA-N	1	0	359.430	1.494	20	30		FDEDRO
N#Cc1cnn2c1ncc(C#N)c2NC(=O)c1cncn1-c1cc[nH+]cc1	ZINC001198543038	973271292	/nfs/dbraw/zinc/27/12/92/973271292.db2.gz	ZWCLAQSTZSVJSM-UHFFFAOYSA-N	1	0	355.321	1.306	20	30		FDEDRO
Cc1c(Br)c(C)n(NC(=O)C[N@@H+](C)C2CCC2)c(=O)c1C#N	ZINC000863911250	973284282	/nfs/dbraw/zinc/28/42/82/973284282.db2.gz	UHIFHSQZAQMRFK-UHFFFAOYSA-N	1	0	367.247	1.654	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C	ZINC000645219604	1014115719	/nfs/dbraw/zinc/11/57/19/1014115719.db2.gz	FYAHIUKMLRWWLQ-HNNXBMFYSA-N	1	0	360.458	1.513	20	30		FDEDRO
Cn1c(CC#N)nn(CN2CC[NH+](CCc3ccccc3)CC2)c1=S	ZINC000794617677	973481951	/nfs/dbraw/zinc/48/19/51/973481951.db2.gz	YYAALVFIZZKOBE-UHFFFAOYSA-N	1	0	356.499	1.835	20	30		FDEDRO
CCN(CC)c1ccc(/C=[NH+]/C[C@@]23COCCN2C(=O)COC3)c(O)c1	ZINC000864349444	973509083	/nfs/dbraw/zinc/50/90/83/973509083.db2.gz	YBIDMNLZMDETQW-LKQKOTCASA-N	1	0	361.442	1.285	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2ccc(F)cc2F)C1	ZINC001198833762	973528015	/nfs/dbraw/zinc/52/80/15/973528015.db2.gz	FGFBGSPOQZIWDK-CSMYWGQOSA-N	1	0	354.397	1.432	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCO)c1ccccc1OC	ZINC001198925322	973692891	/nfs/dbraw/zinc/69/28/91/973692891.db2.gz	RSMONTCUPWTXPL-SCTDSRPQSA-N	1	0	362.470	1.806	20	30		FDEDRO
C#C[C@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)c1ccc(F)cc1	ZINC000867293955	973701788	/nfs/dbraw/zinc/70/17/88/973701788.db2.gz	YYQOGIBIKNJPPH-KRWDZBQOSA-N	1	0	353.463	1.057	20	30		FDEDRO
CCO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC#Cc2ccccc2)C1)C1CC1	ZINC001198933704	973704372	/nfs/dbraw/zinc/70/43/72/973704372.db2.gz	GCAARGFXRDZJSV-AQNXPRMDSA-N	1	0	356.466	1.405	20	30		FDEDRO
C=C[C@H](C(=O)N[C@@H]1CN(Cc2c(C)noc2C)C[C@H]1O)c1ccccc1	ZINC001198949635	973790578	/nfs/dbraw/zinc/79/05/78/973790578.db2.gz	ALFUQMNOFJLZKG-QXAKKESOSA-N	1	0	355.438	1.923	20	30		FDEDRO
N#C[C@]1(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CCCOC1	ZINC000864846580	973884719	/nfs/dbraw/zinc/88/47/19/973884719.db2.gz	IRDGSHUMEUGGBP-HXUWFJFHSA-N	1	0	356.470	1.635	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nnc2-c2ccccc2)C1	ZINC001199156025	973968023	/nfs/dbraw/zinc/96/80/23/973968023.db2.gz	YEHBSVGWIQDXHU-NUEKZKHPSA-N	1	0	355.442	1.601	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Cn1ccc(Br)cc1=O	ZINC000865012763	974015761	/nfs/dbraw/zinc/01/57/61/974015761.db2.gz	FKSHWBJYHYUKKP-UHFFFAOYSA-N	1	0	369.263	1.305	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)c2ccc(F)cc2)C1	ZINC001199245549	974065118	/nfs/dbraw/zinc/06/51/18/974065118.db2.gz	DSAXIBKDCMVTFS-KZNAEPCWSA-N	1	0	350.434	1.683	20	30		FDEDRO
CCN1CC[C@H]2OCCN(S(=O)(=O)c3cc(F)cc(C#N)c3)[C@H]2C1	ZINC000867307443	974088094	/nfs/dbraw/zinc/08/80/94/974088094.db2.gz	PXBMFXIBLCRLMJ-JKSUJKDBSA-N	1	0	353.419	1.181	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1O	ZINC001199292059	974130474	/nfs/dbraw/zinc/13/04/74/974130474.db2.gz	AOZZBXBMRYMMSH-RTBURBONSA-N	1	0	370.453	1.126	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)=C1CCC1)C2	ZINC001110531538	974208256	/nfs/dbraw/zinc/20/82/56/974208256.db2.gz	CPWGFCMRNXKPEC-DZUCGIPZSA-N	1	0	374.485	1.609	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]CCCN1C(=O)NC2(CCCC2)C1=O	ZINC000865405535	974280408	/nfs/dbraw/zinc/28/04/08/974280408.db2.gz	LHVCTKONACDNCJ-UHFFFAOYSA-N	1	0	369.469	1.969	20	30		FDEDRO
O=C(CC(F)(F)C(F)(F)F)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1O	ZINC001199532163	974356795	/nfs/dbraw/zinc/35/67/95/974356795.db2.gz	ZDQTXEDKTVZFDJ-RKDXNWHRSA-N	1	0	366.277	1.781	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@]2(C)CCC(=O)N2)C1	ZINC001199589483	974393156	/nfs/dbraw/zinc/39/31/56/974393156.db2.gz	AFSYIHDMUGMEPG-MDZRGWNJSA-N	1	0	353.507	1.567	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cccc3nsnc32)C1	ZINC001199583969	974406478	/nfs/dbraw/zinc/40/64/78/974406478.db2.gz	YBXYAZFKWZDRKV-DAXOMENPSA-N	1	0	360.483	1.750	20	30		FDEDRO
N#Cc1cnc(C(=O)N(c2ncccc2F)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)cn1	ZINC001199664707	974450910	/nfs/dbraw/zinc/45/09/10/974450910.db2.gz	MGCNXCSIIASNHG-UGSOOPFHSA-N	1	0	368.372	1.050	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCc1ccco1	ZINC001110543464	974552107	/nfs/dbraw/zinc/55/21/07/974552107.db2.gz	SPKBQWDICAFMIC-RWQQGDIJSA-N	1	0	358.438	1.292	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3ccc4c(C#N)c[nH]c4c3)CC2)C1	ZINC000865896450	974557048	/nfs/dbraw/zinc/55/70/48/974557048.db2.gz	KGZGUFUHMHXKOG-KRWDZBQOSA-N	1	0	351.454	1.892	20	30		FDEDRO
N#Cc1c[nH]c2cc(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)ccc12	ZINC000865903484	974561406	/nfs/dbraw/zinc/56/14/06/974561406.db2.gz	CDKHHVPCKZNUCM-QGZVFWFLSA-N	1	0	367.453	1.176	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)c1ccc(F)cc1	ZINC001110551002	974733810	/nfs/dbraw/zinc/73/38/10/974733810.db2.gz	KSNBRJWCGVMVFK-AKHDSKFASA-N	1	0	360.429	1.621	20	30		FDEDRO
CCOC(=O)C1(C#N)CCN(C(=S)NCC[NH+]2CCCCC2)CC1	ZINC001200428944	974784877	/nfs/dbraw/zinc/78/48/77/974784877.db2.gz	DDYABKVJTAGBIL-UHFFFAOYSA-N	1	0	352.504	1.516	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H](c3ccccc3)O2)CC1	ZINC001200599418	974822725	/nfs/dbraw/zinc/82/27/25/974822725.db2.gz	VQARWVBQTUHYAE-MOPGFXCFSA-N	1	0	371.481	1.790	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]CCCO[C@H]2CCOC2)CC1	ZINC001200636018	974851172	/nfs/dbraw/zinc/85/11/72/974851172.db2.gz	DYKQGIXKRUPKRH-OTWHNJEPSA-N	1	0	366.502	1.744	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1	ZINC001201125467	974968237	/nfs/dbraw/zinc/96/82/37/974968237.db2.gz	YEXPDYXAXVNFTD-IAGOWNOFSA-N	1	0	371.485	1.294	20	30		FDEDRO
C=CCOCC[NH2+]C1CCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1	ZINC001201253462	974985950	/nfs/dbraw/zinc/98/59/50/974985950.db2.gz	UCWBVKIMFDXKFK-KGLIPLIRSA-N	1	0	366.380	1.116	20	30		FDEDRO
C#C[C@@H](NC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1)[C@@H]1CCCO1	ZINC000776225988	975192459	/nfs/dbraw/zinc/19/24/59/975192459.db2.gz	FKLBNYVULLBFIC-UXHICEINSA-N	1	0	370.497	1.911	20	30		FDEDRO
C#C[C@@H](NC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1)[C@H]1CCCO1	ZINC000776225990	975193580	/nfs/dbraw/zinc/19/35/80/975193580.db2.gz	FKLBNYVULLBFIC-WOJBJXKFSA-N	1	0	370.497	1.911	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(F)c1C)C2	ZINC001110579958	975289381	/nfs/dbraw/zinc/28/93/81/975289381.db2.gz	QQRBSXUPUWVFQB-DTDBQYNISA-N	1	0	357.429	1.607	20	30		FDEDRO
C[NH+]1CCN(c2ccccc2NC(=O)N2CCN(CCC#N)CC2)CC1	ZINC000866155243	975440556	/nfs/dbraw/zinc/44/05/56/975440556.db2.gz	DYEJQXBWWCOINV-UHFFFAOYSA-N	1	0	356.474	1.502	20	30		FDEDRO
CCC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1	ZINC001110588427	975646922	/nfs/dbraw/zinc/64/69/22/975646922.db2.gz	JBMHAZHLIMPTOA-PILAGYSTSA-N	1	0	354.454	1.694	20	30		FDEDRO
N#Cc1ccccc1N1CCC([NH2+]C2CCC3(CC2)NC(=O)NC3=O)CC1	ZINC000866448181	975665154	/nfs/dbraw/zinc/66/51/54/975665154.db2.gz	AVJWXLXYOQVFMC-UHFFFAOYSA-N	1	0	367.453	1.637	20	30		FDEDRO
COCC[N@H+]1[C@H](C)CN(C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C[C@@H]1C	ZINC000121110714	975756945	/nfs/dbraw/zinc/75/69/45/975756945.db2.gz	ASBKOYBVLPSFIO-OKILXGFUSA-N	1	0	374.485	1.364	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)c1ccoc1C)C2	ZINC001110589612	975820853	/nfs/dbraw/zinc/82/08/53/975820853.db2.gz	CVQCERKYNHEKGJ-OIISXLGYSA-N	1	0	361.442	1.242	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1	ZINC000866774914	976027620	/nfs/dbraw/zinc/02/76/20/976027620.db2.gz	SDYJTRQQSDIAPD-OIISXLGYSA-N	1	0	367.446	1.747	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(OC)cc1C)C2	ZINC001110593168	976063369	/nfs/dbraw/zinc/06/33/69/976063369.db2.gz	LVNICMGAMIJYAG-RLLQIKCJSA-N	1	0	356.466	1.917	20	30		FDEDRO
C[N@H+]1C[C@H]2CN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C[C@H]2C1	ZINC000847970179	976206596	/nfs/dbraw/zinc/20/65/96/976206596.db2.gz	RVVVMZWPPBNBCO-OWCLPIDISA-N	1	0	364.490	1.984	20	30		FDEDRO
C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000848120957	976343930	/nfs/dbraw/zinc/34/39/30/976343930.db2.gz	STYBCFWJDMOODL-IRXDYDNUSA-N	1	0	361.486	1.799	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)cc1	ZINC000867582728	976424001	/nfs/dbraw/zinc/42/40/01/976424001.db2.gz	XMYYGAGDMHRWBX-UHFFFAOYSA-N	1	0	351.472	1.537	20	30		FDEDRO
CNC(=O)c1ccc(CN(C)C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)cc1	ZINC000867955061	977137102	/nfs/dbraw/zinc/13/71/02/977137102.db2.gz	WODRIQHEKMNHBK-LJQANCHMSA-N	1	0	362.433	1.763	20	30		FDEDRO
CCc1nn(C)c(CC)c1CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000867977599	977161718	/nfs/dbraw/zinc/16/17/18/977161718.db2.gz	LMVFTLNMYILMDV-IBGZPJMESA-N	1	0	351.454	1.920	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)N[C@H]1C[C@@H]1c1ccccc1OC(F)F	ZINC000849105811	977317318	/nfs/dbraw/zinc/31/73/18/977317318.db2.gz	COVMOYLOAHGEAC-CABCVRRESA-N	1	0	368.428	1.641	20	30		FDEDRO
CCCC[NH+]=C(NCCCCS(N)(=O)=O)NCc1ccc(C)cc1	ZINC000849109954	977320450	/nfs/dbraw/zinc/32/04/50/977320450.db2.gz	MSBXIEZVSBUHNH-UHFFFAOYSA-N	1	0	354.520	1.899	20	30		FDEDRO
C#CCOc1ccc(CNC(=[NH2+])NC2CCN(C(=O)OCC)CC2)cc1	ZINC000849115385	977328176	/nfs/dbraw/zinc/32/81/76/977328176.db2.gz	QYAHJOUTBRUBPF-UHFFFAOYSA-N	1	0	358.442	1.933	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2C3CCC2(C[NH3+])CC3)cc1C(F)(F)F	ZINC000868289950	977455426	/nfs/dbraw/zinc/45/54/26/977455426.db2.gz	UNWZTOZLILXDFH-UHFFFAOYSA-N	1	0	366.343	1.998	20	30		FDEDRO
CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H]1Cc2ccc(C#N)cc2C1	ZINC000868316539	977493660	/nfs/dbraw/zinc/49/36/60/977493660.db2.gz	LKPUSMSVHRDGSK-SFHVURJKSA-N	1	0	362.433	1.890	20	30		FDEDRO
Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2ccc(OCC#N)cc2)cn1	ZINC000849515652	977708771	/nfs/dbraw/zinc/70/87/71/977708771.db2.gz	HALMGZDPEAAFSG-OALUTQOASA-N	1	0	367.453	1.674	20	30		FDEDRO
Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2cc(C#N)ccc2F)cn1	ZINC000849554384	977739065	/nfs/dbraw/zinc/73/90/65/977739065.db2.gz	MVNYEFDGCMYAMG-IRXDYDNUSA-N	1	0	355.417	1.783	20	30		FDEDRO
COc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)cc1C#N	ZINC000849563688	977757165	/nfs/dbraw/zinc/75/71/65/977757165.db2.gz	MAJZOIOKLMVQFA-QZTJIDSGSA-N	1	0	367.453	1.652	20	30		FDEDRO
CS(=O)(=O)CCN1CCC([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1	ZINC000850130183	978190219	/nfs/dbraw/zinc/19/02/19/978190219.db2.gz	FRLUPASYVXCYAV-UHFFFAOYSA-N	1	0	361.511	1.840	20	30		FDEDRO
N#Cc1ccccc1N1CCC[N@@H+](C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000851725415	979017957	/nfs/dbraw/zinc/01/79/57/979017957.db2.gz	BYPOMRPBNVADPN-NRFANRHFSA-N	1	0	364.449	1.443	20	30		FDEDRO
C#CCOCC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1	ZINC000851836071	979089054	/nfs/dbraw/zinc/08/90/54/979089054.db2.gz	GFEGLKUNWDGBBO-KRWDZBQOSA-N	1	0	350.484	1.635	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCC3(CCCCO3)CC2)CC1	ZINC000880456914	979206969	/nfs/dbraw/zinc/20/69/69/979206969.db2.gz	YFJPFMRRKYBSDK-GOSISDBHSA-N	1	0	362.518	1.714	20	30		FDEDRO
C#CCC1(O)CC[NH+](CC(=O)N2CCN(Cc3cccs3)CC2)CC1	ZINC000880478213	979219480	/nfs/dbraw/zinc/21/94/80/979219480.db2.gz	XOQVIGRDDKBCLK-UHFFFAOYSA-N	1	0	361.511	1.243	20	30		FDEDRO
C#C[C@@H](NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C1CCOCC1	ZINC000852059157	979313412	/nfs/dbraw/zinc/31/34/12/979313412.db2.gz	WLPVIUXFQKAECP-LJQANCHMSA-N	1	0	362.518	1.273	20	30		FDEDRO
CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000852075258	979329980	/nfs/dbraw/zinc/32/99/80/979329980.db2.gz	JOCJGQMXBRBNHL-ZBFHGGJFSA-N	1	0	369.358	1.991	20	30		FDEDRO
C#C[C@H](NC(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)C1CCOCC1	ZINC000852078096	979333380	/nfs/dbraw/zinc/33/33/80/979333380.db2.gz	KQKKVCCJXNIXBO-KRWDZBQOSA-N	1	0	351.491	1.603	20	30		FDEDRO
C#C[C@@](C)(CC)[NH2+]CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O	ZINC000852102626	979351154	/nfs/dbraw/zinc/35/11/54/979351154.db2.gz	ZWRSACPRYWIHGQ-VQTJNVASSA-N	1	0	370.453	1.352	20	30		FDEDRO
C#C[C@](C)(CC)[NH2+][C@@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC	ZINC000852102130	979351227	/nfs/dbraw/zinc/35/12/27/979351227.db2.gz	WANZXJAEYZERTB-HXPMCKFVSA-N	1	0	360.410	1.978	20	30		FDEDRO
C#C[C@](C)(CC)[NH2+][C@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC	ZINC000852102129	979351264	/nfs/dbraw/zinc/35/12/64/979351264.db2.gz	WANZXJAEYZERTB-CWTRNNRKSA-N	1	0	360.410	1.978	20	30		FDEDRO
C#C[C@@H](NC(=O)NCC1([NH+](C)C)Cc2ccccc2C1)C1CCOCC1	ZINC000852140034	979386040	/nfs/dbraw/zinc/38/60/40/979386040.db2.gz	GVSHPWYCZXCOOL-LJQANCHMSA-N	1	0	355.482	1.813	20	30		FDEDRO
N#Cc1cccc([C@@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)C(F)(F)F)c1	ZINC000880924569	979528607	/nfs/dbraw/zinc/52/86/07/979528607.db2.gz	FYFPAZZKJRMZFU-UONOGXRCSA-N	1	0	356.348	1.527	20	30		FDEDRO
Cc1ccc(N(CCC#N)C(=O)Cn2cc(C[C@@H]3CC[NH2+]C3)nn2)cc1C	ZINC000881132556	979707865	/nfs/dbraw/zinc/70/78/65/979707865.db2.gz	PHRNNRVGLSHTDP-KRWDZBQOSA-N	1	0	366.469	1.994	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2cccc(CC#N)n2)CC1	ZINC000881154493	979720018	/nfs/dbraw/zinc/72/00/18/979720018.db2.gz	VTZWZLQXVSVOEA-UHFFFAOYSA-N	1	0	358.446	1.166	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)Nc3cccc(CC#N)n3)ccn2)CC1	ZINC000881155053	979720052	/nfs/dbraw/zinc/72/00/52/979720052.db2.gz	LMXJWGDCLHBFBM-UHFFFAOYSA-N	1	0	365.441	1.616	20	30		FDEDRO
C=CCCc1ccc(S(=O)(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)cc1	ZINC000881937147	980305927	/nfs/dbraw/zinc/30/59/27/980305927.db2.gz	QWPNHHBIEFJGRZ-QGZVFWFLSA-N	1	0	365.543	1.967	20	30		FDEDRO
N#CC1(C(=O)NCCC2(O)CC[NH+](Cc3ccccc3)CC2)CCOCC1	ZINC000882379605	980600332	/nfs/dbraw/zinc/60/03/32/980600332.db2.gz	CKMROYMKLDCWFU-UHFFFAOYSA-N	1	0	371.481	1.840	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cccc(CC#N)n2)CC1=O	ZINC000882475162	980660586	/nfs/dbraw/zinc/66/05/86/980660586.db2.gz	GYQUBNJUCIWRQL-GOEBONIOSA-N	1	0	355.442	1.419	20	30		FDEDRO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@H]1CCc2cc(C#N)ccc21	ZINC000888912733	980689949	/nfs/dbraw/zinc/68/99/49/980689949.db2.gz	KKEVNMVJSKEEQY-DYVFJYSZSA-N	1	0	355.442	1.307	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(CCC(=O)OC)CC(=O)OC(C)(C)C)CC1	ZINC000882884054	981773293	/nfs/dbraw/zinc/77/32/93/981773293.db2.gz	URLZXRYRRGLBQB-UHFFFAOYSA-N	1	0	366.458	1.065	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)Nc1ccc(Br)c(C#N)n1	ZINC000883079098	981927106	/nfs/dbraw/zinc/92/71/06/981927106.db2.gz	JZALNOZDNGZIHS-UHFFFAOYSA-N	1	0	370.251	1.806	20	30		FDEDRO
C=CCC[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)[C@@H]1Cc2ccccc2O1	ZINC000883192263	982006778	/nfs/dbraw/zinc/00/67/78/982006778.db2.gz	UTOQBLXXTRNQRJ-AEFFLSMTSA-N	1	0	365.495	1.854	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1	ZINC000859031021	982468712	/nfs/dbraw/zinc/46/87/12/982468712.db2.gz	CZYIMFFHKCIBKR-KRWDZBQOSA-N	1	0	350.507	1.225	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000883798440	982476611	/nfs/dbraw/zinc/47/66/11/982476611.db2.gz	HOSZUYJEMICPKR-SFHVURJKSA-N	1	0	358.486	1.666	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000883798439	982476736	/nfs/dbraw/zinc/47/67/36/982476736.db2.gz	HOSZUYJEMICPKR-GOSISDBHSA-N	1	0	358.486	1.666	20	30		FDEDRO
CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000859111774	982539695	/nfs/dbraw/zinc/53/96/95/982539695.db2.gz	GEXMRWQEHLNQNJ-CVEARBPZSA-N	1	0	367.490	1.904	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)C(=O)NC(C)(C)C)CC1	ZINC001202559440	982548065	/nfs/dbraw/zinc/54/80/65/982548065.db2.gz	CVOMLEZRDVCXRZ-BMFZPTHFSA-N	1	0	351.491	1.461	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)NCC(C)(C)C)CC1	ZINC001202559650	982556747	/nfs/dbraw/zinc/55/67/47/982556747.db2.gz	ITYVSLBAPKKORS-CVEARBPZSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)C(=O)N(C)C(C)C)CC1	ZINC001202559947	982559925	/nfs/dbraw/zinc/55/99/25/982559925.db2.gz	VFBLLPOUKJASLE-OIISXLGYSA-N	1	0	351.491	1.413	20	30		FDEDRO
C[N@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000859138349	982569214	/nfs/dbraw/zinc/56/92/14/982569214.db2.gz	IPAPZXXCKIJWTE-CHWSQXEVSA-N	1	0	363.380	1.153	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(OC[C@@H]2CCCO2)CC1	ZINC000859158543	982584377	/nfs/dbraw/zinc/58/43/77/982584377.db2.gz	GFTPNVFOAFKASN-HKUYNNGSSA-N	1	0	360.454	1.958	20	30		FDEDRO
C#CCCOC(=O)N(C)CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O	ZINC000859214159	982622880	/nfs/dbraw/zinc/62/28/80/982622880.db2.gz	NHFUMJRDRRQNDW-UHFFFAOYSA-N	1	0	357.410	1.306	20	30		FDEDRO
COC(=O)N1CCC([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2C#N)CC1	ZINC000859259574	982653571	/nfs/dbraw/zinc/65/35/71/982653571.db2.gz	MUFMKQOPRCZBOW-PBHICJAKSA-N	1	0	361.442	1.754	20	30		FDEDRO
CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000859263139	982658144	/nfs/dbraw/zinc/65/81/44/982658144.db2.gz	WWWQOLQRLFPPJX-ULQDDVLXSA-N	1	0	367.490	1.904	20	30		FDEDRO
Cn1ccnc1[C@@H]1CCC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000859281872	982677722	/nfs/dbraw/zinc/67/77/22/982677722.db2.gz	YIUNWGFSKQLHNJ-MRXNPFEDSA-N	1	0	362.433	1.899	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1cccc(CN3CCCC3=O)c1)C2	ZINC000884077023	982827534	/nfs/dbraw/zinc/82/75/34/982827534.db2.gz	WUZHMABICCMCTB-WBTXTPOCSA-N	1	0	366.465	1.565	20	30		FDEDRO
CCCNC(=O)c1cccc(CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c1	ZINC000884078251	982832442	/nfs/dbraw/zinc/83/24/42/982832442.db2.gz	JXBBVDPIJDLCAU-OHTSDLOESA-N	1	0	354.454	1.582	20	30		FDEDRO
C[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1cccc(N2CCOC2=O)c1	ZINC000884109179	982879863	/nfs/dbraw/zinc/87/98/63/982879863.db2.gz	XWOIXQFUPUMHGU-MGIDEDSVSA-N	1	0	368.437	1.960	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCN(Cc3ccccc3)C1=O)C2	ZINC000884110189	982882029	/nfs/dbraw/zinc/88/20/29/982882029.db2.gz	BMHONGNCCZXNTN-ASPXRTSYSA-N	1	0	352.438	1.043	20	30		FDEDRO
COC(=O)[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1cc(F)ccc1F	ZINC000884122683	982905137	/nfs/dbraw/zinc/90/51/37/982905137.db2.gz	XCHRFAYTQIMMDY-HMBXTLCWSA-N	1	0	363.364	1.434	20	30		FDEDRO
CCOC(=O)[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccccc1	ZINC000884155537	982932706	/nfs/dbraw/zinc/93/27/06/982932706.db2.gz	FDBLOWLXFOREQQ-ASPXRTSYSA-N	1	0	355.438	1.589	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C(=O)N1c1ccccc1	ZINC000884157085	982933903	/nfs/dbraw/zinc/93/39/03/982933903.db2.gz	SDGXCHAUJGQQPA-LVDRSXOESA-N	1	0	352.438	1.436	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1cccc(N3CCCNC3=O)c1)C2	ZINC000884160378	982935875	/nfs/dbraw/zinc/93/58/75/982935875.db2.gz	BQROEZURGAEHHU-BIWSTMPVSA-N	1	0	353.426	1.684	20	30		FDEDRO
Cn1ccnc1[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccccc1F	ZINC000884181266	982956441	/nfs/dbraw/zinc/95/64/41/982956441.db2.gz	AGKSXAQQNBLZJE-IQUJVZOLSA-N	1	0	367.428	1.904	20	30		FDEDRO
C[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)N1CCc2sccc2C1	ZINC000884193781	982969592	/nfs/dbraw/zinc/96/95/92/982969592.db2.gz	OYMXQCGGXBFHQU-QGILYTQXSA-N	1	0	358.511	1.750	20	30		FDEDRO
C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C[C@@H](C)O1	ZINC000884201664	982977173	/nfs/dbraw/zinc/97/71/73/982977173.db2.gz	DSGVGMMOWXRZCQ-IBSABPRFSA-N	1	0	360.502	1.226	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1	ZINC000884211784	982988391	/nfs/dbraw/zinc/98/83/91/982988391.db2.gz	NSJNHINIGWBULI-NXHRZFHOSA-N	1	0	359.470	1.602	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1	ZINC000884218143	982992971	/nfs/dbraw/zinc/99/29/71/982992971.db2.gz	GQZREUBHGSWAOX-QRQLOZEOSA-N	1	0	373.497	1.945	20	30		FDEDRO
Cn1c(CCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)nc2ccc(F)cc21	ZINC000884217930	982993098	/nfs/dbraw/zinc/99/30/98/982993098.db2.gz	AIONWGLKUDLDRU-MLZJXEJWSA-N	1	0	355.417	1.510	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1	ZINC000884218145	982993137	/nfs/dbraw/zinc/99/31/37/982993137.db2.gz	GQZREUBHGSWAOX-WDSOQIARSA-N	1	0	373.497	1.945	20	30		FDEDRO
Cn1c(CCCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)nc2ccccc21	ZINC000884222856	982996788	/nfs/dbraw/zinc/99/67/88/982996788.db2.gz	CESCNEDTZPKESX-CHWWFWEZSA-N	1	0	351.454	1.761	20	30		FDEDRO
CN(C)[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1c(F)cccc1F	ZINC000884223847	982998081	/nfs/dbraw/zinc/99/80/81/982998081.db2.gz	ZSGNAHANUMHAGN-BKUHTVRMSA-N	1	0	362.424	1.823	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCNC[C@@H]1c1ccccc1Cl)C2	ZINC000884278250	983049329	/nfs/dbraw/zinc/04/93/29/983049329.db2.gz	HFCZYWOHPOTDMF-VSOMRHIXSA-N	1	0	358.873	1.952	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1	ZINC000884326170	983087279	/nfs/dbraw/zinc/08/72/79/983087279.db2.gz	LWKYXIKCTSXMED-GJZGRUSLSA-N	1	0	370.808	1.826	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCn3ncc(Br)c3C1)C2	ZINC000884416569	983145567	/nfs/dbraw/zinc/14/55/67/983145567.db2.gz	GGWWWULTJFSMQX-VTWZXRTESA-N	1	0	364.247	1.127	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccnc(N3CCSCC3)c1)C2	ZINC000884463373	983170765	/nfs/dbraw/zinc/17/07/65/983170765.db2.gz	FMSOIAMEVISUPB-KOHRHEQBSA-N	1	0	371.510	1.390	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(=O)n(CCOC)n1)C2	ZINC001110785315	983440242	/nfs/dbraw/zinc/44/02/42/983440242.db2.gz	PETJAUMOSKSZOG-OIISXLGYSA-N	1	0	360.458	1.191	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)OC[C@@H]3CCC[N@H+]3CCOC)cc2C1=O	ZINC000861032027	983592435	/nfs/dbraw/zinc/59/24/35/983592435.db2.gz	HKFDKJYEAMBEJG-HNNXBMFYSA-N	1	0	372.421	1.736	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1COC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C	ZINC000861032035	983592621	/nfs/dbraw/zinc/59/26/21/983592621.db2.gz	HSVVEPZFIXQVIJ-HNNXBMFYSA-N	1	0	361.442	1.862	20	30		FDEDRO
C=C[C@H](C(=O)[O-])[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1	ZINC001588663906	983797374	/nfs/dbraw/zinc/79/73/74/983797374.db2.gz	KZIZOXAWCMDSJT-GOSISDBHSA-N	1	0	359.470	1.586	20	30		FDEDRO
C#C[C@H](NC(=O)NCC1([NH3+])CCOCC1)c1ccc(Br)cc1	ZINC000861667565	983810818	/nfs/dbraw/zinc/81/08/18/983810818.db2.gz	YCKHPDACRRWWNY-AWEZNQCLSA-N	1	0	366.259	1.931	20	30		FDEDRO
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1	ZINC000861708868	983845097	/nfs/dbraw/zinc/84/50/97/983845097.db2.gz	CEMJAGUJHOEQIY-LSDHHAIUSA-N	1	0	354.410	1.532	20	30		FDEDRO
O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1	ZINC000861713553	983856911	/nfs/dbraw/zinc/85/69/11/983856911.db2.gz	CLYCQLLVWMADSN-HZPDHXFCSA-N	1	0	352.356	1.724	20	30		FDEDRO
C=CCCN(OCc1ccccc1)C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2	ZINC000861791526	983923406	/nfs/dbraw/zinc/92/34/06/983923406.db2.gz	GYRQVINUBSSAMV-KRWDZBQOSA-N	1	0	357.454	1.924	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)OC(C)(C)C	ZINC000861838224	983949462	/nfs/dbraw/zinc/94/94/62/983949462.db2.gz	VQRBIHRYNSTIBZ-BEFAXECRSA-N	1	0	367.490	1.472	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C(F)(F)F)c(F)c1	ZINC000861872144	983967100	/nfs/dbraw/zinc/96/71/00/983967100.db2.gz	IZRRUWJHWHXEIO-UHFFFAOYSA-N	1	0	359.323	1.854	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1F	ZINC000923688983	984648244	/nfs/dbraw/zinc/64/82/44/984648244.db2.gz	VCTUFOKEFQCACT-ZDUSSCGKSA-N	1	0	353.419	1.216	20	30		FDEDRO
C[C@@H](CNS(=O)(=O)c1ccc(CCC#N)cc1)CN1CC[NH+](C)CC1	ZINC000885033750	985124258	/nfs/dbraw/zinc/12/42/58/985124258.db2.gz	ZXTJVVBWBHMAGI-INIZCTEOSA-N	1	0	364.515	1.305	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1	ZINC000885097015	985172833	/nfs/dbraw/zinc/17/28/33/985172833.db2.gz	RCYSOKVJMMUJLU-DLBZAZTESA-N	1	0	365.518	1.840	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2	ZINC000885149328	985204016	/nfs/dbraw/zinc/20/40/16/985204016.db2.gz	YQMRIVCJHIBEBS-INIZCTEOSA-N	1	0	351.491	1.466	20	30		FDEDRO
C[N@H+](CCC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1)C1CCCCC1	ZINC000885315122	985326736	/nfs/dbraw/zinc/32/67/36/985326736.db2.gz	NJBXKWOBIJYLAB-PBHICJAKSA-N	1	0	353.488	1.038	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O	ZINC000870244547	985835446	/nfs/dbraw/zinc/83/54/46/985835446.db2.gz	LLEWUARVNKWSBA-PBHICJAKSA-N	1	0	371.437	1.404	20	30		FDEDRO
C#CC[C@@H]1CC[N@@H+](CC(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)C1	ZINC000886356017	986094854	/nfs/dbraw/zinc/09/48/54/986094854.db2.gz	RYBCEHWKGJWODZ-ZWKOTPCHSA-N	1	0	359.514	1.829	20	30		FDEDRO
CC(C)[C@@H](C[NH+](C)C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000870569227	986126133	/nfs/dbraw/zinc/12/61/33/986126133.db2.gz	PNWCEJMHGOHSDK-CZUORRHYSA-N	1	0	367.471	1.354	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](C(=O)OC)C[C@@H]2[C@H]2CCCO2)CC1	ZINC000886387372	986137133	/nfs/dbraw/zinc/13/71/33/986137133.db2.gz	BBPSUJWNEZBGLH-RCCFBDPRSA-N	1	0	362.470	1.291	20	30		FDEDRO
C#CCN(C(=O)[C@H]1CCCN(CC(F)(F)F)C1=O)C1CC[NH+](C)CC1	ZINC000886571217	986370643	/nfs/dbraw/zinc/37/06/43/986370643.db2.gz	NDYSDEXGOTXLOJ-AWEZNQCLSA-N	1	0	359.392	1.343	20	30		FDEDRO
C#CCN(C(=O)CCCN(C)C(=O)c1ccncc1)C1CC[NH+](C)CC1	ZINC000886571319	986370919	/nfs/dbraw/zinc/37/09/19/986370919.db2.gz	RFJFZTMLLHHXHU-UHFFFAOYSA-N	1	0	356.470	1.490	20	30		FDEDRO
C#CCN(C(=O)CN1CC[C@H](c2ccccc2)NC1=O)C1CC[NH+](C)CC1	ZINC000886573499	986372249	/nfs/dbraw/zinc/37/22/49/986372249.db2.gz	LBHIJPMOMYOVSV-LJQANCHMSA-N	1	0	368.481	1.699	20	30		FDEDRO
C#CCN(C(=O)[C@@H](Cc1c[nH]cn1)NC(=O)CC(C)C)C1CC[NH+](C)CC1	ZINC000886575809	986375511	/nfs/dbraw/zinc/37/55/11/986375511.db2.gz	LLKGTZDEJAWEBV-GOSISDBHSA-N	1	0	373.501	1.039	20	30		FDEDRO
C#CCN(C(=O)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)C1CC[NH+](C)CC1	ZINC000886575835	986375664	/nfs/dbraw/zinc/37/56/64/986375664.db2.gz	MJMQKXGQGNTREO-FVQHAEBGSA-N	1	0	361.486	1.655	20	30		FDEDRO
C#CCN(C(=O)c1ccc(CN2CCOCC2)cn1)C1CC[NH+](C)CC1	ZINC000886577412	986378159	/nfs/dbraw/zinc/37/81/59/986378159.db2.gz	IDJMPXGKEXNZBO-UHFFFAOYSA-N	1	0	356.470	1.083	20	30		FDEDRO
C#CCN(C(=O)CNC(=O)c1cc2ccccc2[nH]1)C1CC[NH+](C)CC1	ZINC000886581275	986383502	/nfs/dbraw/zinc/38/35/02/986383502.db2.gz	QMNDALAGAUPOEE-UHFFFAOYSA-N	1	0	352.438	1.454	20	30		FDEDRO
C#CCN(C(=O)C1=NN(c2ccccc2)[C@H](C(C)=O)C1)C1CC[NH+](C)CC1	ZINC000886582058	986385450	/nfs/dbraw/zinc/38/54/50/986385450.db2.gz	FAAZRDNJOFBJLU-FQEVSTJZSA-N	1	0	366.465	1.766	20	30		FDEDRO
C#CCN(C(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C1CC[NH+](C)CC1	ZINC000886585362	986391465	/nfs/dbraw/zinc/39/14/65/986391465.db2.gz	SKEHOKSTIVZVBW-UHFFFAOYSA-N	1	0	370.421	1.853	20	30		FDEDRO
C#CCN(C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)C1CC[NH+](C)CC1	ZINC000886587452	986393501	/nfs/dbraw/zinc/39/35/01/986393501.db2.gz	WZPPXBPFWCBDRM-HNNXBMFYSA-N	1	0	357.429	1.735	20	30		FDEDRO
C#CCN(C(=O)c1cccc(N2C(=O)CCC2=O)c1)C1CC[NH+](C)CC1	ZINC000886589345	986397314	/nfs/dbraw/zinc/39/73/14/986397314.db2.gz	RLSOYYKKARDODX-UHFFFAOYSA-N	1	0	353.422	1.510	20	30		FDEDRO
C#CCN(C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)C1CC[NH+](C)CC1	ZINC000886589201	986398231	/nfs/dbraw/zinc/39/82/31/986398231.db2.gz	MSEUIVDDUKCVJK-IRXDYDNUSA-N	1	0	359.470	1.108	20	30		FDEDRO
C=CCC1(O)CC[NH+](CC(=O)N(CCC(N)=O)Cc2ccccc2)CC1	ZINC000886757417	986557634	/nfs/dbraw/zinc/55/76/34/986557634.db2.gz	GNQPIFBTZFFEJN-UHFFFAOYSA-N	1	0	359.470	1.294	20	30		FDEDRO
N#CCCN1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1	ZINC000870982458	986560130	/nfs/dbraw/zinc/56/01/30/986560130.db2.gz	ICDXLFYNCZSZCZ-AWEZNQCLSA-N	1	0	351.248	1.507	20	30		FDEDRO
C=CCC1(O)CC[NH+]([C@H](C)C(=O)N2CCN(c3ccccc3O)CC2)CC1	ZINC000886771354	986575446	/nfs/dbraw/zinc/57/54/46/986575446.db2.gz	GRDJUWKWSYCJIP-QGZVFWFLSA-N	1	0	373.497	1.832	20	30		FDEDRO
C=CCn1c(CC(F)(F)F)nnc1N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000871051158	986617570	/nfs/dbraw/zinc/61/75/70/986617570.db2.gz	QNVNFAPWHGBQPA-UHFFFAOYSA-N	1	0	372.439	1.785	20	30		FDEDRO
C=CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H]2[C@H](CC[N@H+]2C)C1	ZINC000871060283	986631135	/nfs/dbraw/zinc/63/11/35/986631135.db2.gz	MLZXVFVVGAHJBC-SJORKVTESA-N	1	0	355.490	1.856	20	30		FDEDRO
C=C(C)[C@@H](CO)[N@H+]1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1	ZINC000886882365	986684919	/nfs/dbraw/zinc/68/49/19/986684919.db2.gz	OVHCMXYRSFBKAV-UARSRXHTSA-N	1	0	353.459	1.766	20	30		FDEDRO
N#CCCc1ccc(S(=O)(=O)N2CCC(OCCC[NH3+])CC2)cc1	ZINC000886883613	986686169	/nfs/dbraw/zinc/68/61/69/986686169.db2.gz	HUPDYERZRFQDLJ-UHFFFAOYSA-N	1	0	351.472	1.661	20	30		FDEDRO
COC(=O)C1CC2(C1)C[N@H+](CCO[C@H](C)C#N)C[C@H]2C(=O)OC(C)(C)C	ZINC000886883838	986687207	/nfs/dbraw/zinc/68/72/07/986687207.db2.gz	NUBYBJPWSBODJF-XNDRKVBMSA-N	1	0	366.458	1.758	20	30		FDEDRO
C[N@@H+]1CCn2nc(N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc2C1	ZINC000871926387	987332425	/nfs/dbraw/zinc/33/24/25/987332425.db2.gz	GUPWKYMOUQZBSH-QGZVFWFLSA-N	1	0	350.426	1.808	20	30		FDEDRO
C#CCC1(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CCOCC1	ZINC000888596935	987523040	/nfs/dbraw/zinc/52/30/40/987523040.db2.gz	GGXRSTRWJIRQCM-ZWKOTPCHSA-N	1	0	363.502	1.626	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H]1COc2cccc(Br)c2C1	ZINC000872234899	987532989	/nfs/dbraw/zinc/53/29/89/987532989.db2.gz	JHKGKIIQSWHEFP-CHWSQXEVSA-N	1	0	368.275	1.549	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H]3[C@@H]2C(C)(C)[C@H]3O)CC1	ZINC000872262188	987556869	/nfs/dbraw/zinc/55/68/69/987556869.db2.gz	SJOAOKQGVMQWTA-ISARSNTHSA-N	1	0	362.518	1.160	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)N1CCC([N@H+](C)CCCO)CC1	ZINC000872453800	987674413	/nfs/dbraw/zinc/67/44/13/987674413.db2.gz	PDCPIJIHUHQQGL-UHFFFAOYSA-N	1	0	351.472	1.334	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)C[C@@H](O)Cc2ccccc2)CC1	ZINC000293161799	987980140	/nfs/dbraw/zinc/98/01/40/987980140.db2.gz	CJFPLZVYYZJQLC-PMACEKPBSA-N	1	0	372.513	1.214	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(CN3C(=O)N[C@](C)(c4cccc(C#N)c4)C3=O)CC[C@H]21	ZINC000872725025	988011141	/nfs/dbraw/zinc/01/11/41/988011141.db2.gz	BFRWOHWHURYJAE-WRWLIDTKSA-N	1	0	367.453	1.309	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC[N@@H+](C2CCC2)C1	ZINC000293367446	988052778	/nfs/dbraw/zinc/05/27/78/988052778.db2.gz	HEPZHHYCXRNIHW-ZDUSSCGKSA-N	1	0	358.417	1.969	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)CC1	ZINC000872882743	988231667	/nfs/dbraw/zinc/23/16/67/988231667.db2.gz	YCFVZXNOVZSJQK-HDICACEKSA-N	1	0	369.531	1.493	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1	ZINC000365976014	988275293	/nfs/dbraw/zinc/27/52/93/988275293.db2.gz	VZRBJTLIFQZOSM-BZUAXINKSA-N	1	0	354.458	1.260	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C	ZINC000294000273	988280285	/nfs/dbraw/zinc/28/02/85/988280285.db2.gz	OSAFWWGOFBJAMY-UHFFFAOYSA-N	1	0	352.438	1.743	20	30		FDEDRO
Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)nn1CCC#N	ZINC000361140242	988280473	/nfs/dbraw/zinc/28/04/73/988280473.db2.gz	GXLXOYPPDRNULX-BHYGNILZSA-N	1	0	374.489	2.116	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000872930817	988300638	/nfs/dbraw/zinc/30/06/38/988300638.db2.gz	PPIVNPMDDGIPEX-KRWDZBQOSA-N	1	0	352.523	1.685	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)CC2)cn1	ZINC000872986841	988379668	/nfs/dbraw/zinc/37/96/68/988379668.db2.gz	BXDMYDPYPPNTLA-LJQANCHMSA-N	1	0	368.485	1.802	20	30		FDEDRO
C#CCNC(=O)c1ccc(N2CCN(C3CC[NH+](CCC)CC3)CC2)nc1	ZINC000361830691	988529407	/nfs/dbraw/zinc/52/94/07/988529407.db2.gz	OKPPXJZBIUKGRM-UHFFFAOYSA-N	1	0	369.513	1.441	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1cn(CCc2ccccc2)nn1	ZINC000294811837	988542275	/nfs/dbraw/zinc/54/22/75/988542275.db2.gz	VHFALPXROWTFJU-UHFFFAOYSA-N	1	0	354.458	1.828	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1C#N	ZINC000873105594	988561723	/nfs/dbraw/zinc/56/17/23/988561723.db2.gz	ZGVQMVPPMSNGMB-CMPLNLGQSA-N	1	0	354.332	1.401	20	30		FDEDRO
C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCC(n2cnc(C#N)n2)CC1	ZINC000366331592	988626739	/nfs/dbraw/zinc/62/67/39/988626739.db2.gz	VHSWFPLOXGSSIU-OAGGEKHMSA-N	1	0	373.505	1.863	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC(n2cnc(C#N)n2)CC1	ZINC000366330031	988626790	/nfs/dbraw/zinc/62/67/90/988626790.db2.gz	SLZSCYYXPNMWHF-CABCVRRESA-N	1	0	359.478	1.617	20	30		FDEDRO
CCOC(=O)C1(NC(=O)c2ccc(C3(C#N)CC3)cc2)CC[NH+](C)CC1	ZINC000366766160	988772089	/nfs/dbraw/zinc/77/20/89/988772089.db2.gz	CJNLADDHBUISHI-UHFFFAOYSA-N	1	0	355.438	1.999	20	30		FDEDRO
N#Cc1ccccc1/C=C/C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000362947730	988789543	/nfs/dbraw/zinc/78/95/43/988789543.db2.gz	MYROGEZYFXDQNC-DVBCCOPCSA-N	1	0	352.438	1.512	20	30		FDEDRO
CO/N=C/c1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1	ZINC000363071526	988900655	/nfs/dbraw/zinc/90/06/55/988900655.db2.gz	PSNAAKPHABZGLA-VYVDHXHBSA-N	1	0	358.442	1.221	20	30		FDEDRO
C=CCn1c(C(=O)NC(C)C)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1	ZINC000296086545	988952102	/nfs/dbraw/zinc/95/21/02/988952102.db2.gz	XUFGNBFHOFDFLV-OAHLLOKOSA-N	1	0	360.506	1.913	20	30		FDEDRO
CCN(C(=O)NCC(=O)NCC#N)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1	ZINC000367576427	988956053	/nfs/dbraw/zinc/95/60/53/988956053.db2.gz	PHUUVXKRYFELLP-WBVHZDCISA-N	1	0	357.458	1.493	20	30		FDEDRO
N#Cc1cc([N+](=O)[O-])cnc1NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1	ZINC000363163182	988966578	/nfs/dbraw/zinc/96/65/78/988966578.db2.gz	UBNUXFZLKGZDGZ-WBVHZDCISA-N	1	0	353.382	1.909	20	30		FDEDRO
C[C@@H]1C[C@@H](CNC(=O)N2CCN(C)[C@H](C#N)C2)C[N@@H+]1Cc1ccccc1	ZINC000368707482	989005168	/nfs/dbraw/zinc/00/51/68/989005168.db2.gz	QVRHCHGBUDLAAA-NZSAHSFTSA-N	1	0	355.486	1.746	20	30		FDEDRO
C=CCN(CC(=O)NCCC(=O)OC)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000369142598	989030968	/nfs/dbraw/zinc/03/09/68/989030968.db2.gz	FPQDRYDEHBGWGX-GOSISDBHSA-N	1	0	359.470	1.428	20	30		FDEDRO
Cc1oc(NC(=O)CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(C#N)c1C	ZINC000369264796	989040183	/nfs/dbraw/zinc/04/01/83/989040183.db2.gz	IQMVAKADYZIUIB-RDTXWAMCSA-N	1	0	373.501	1.664	20	30		FDEDRO
CCc1nc(CN2CCC[C@H]([N@H+](C)CCC(=O)N(C)CCC#N)C2)no1	ZINC000369446184	989052352	/nfs/dbraw/zinc/05/23/52/989052352.db2.gz	XZUWNSAHASPXDP-HNNXBMFYSA-N	1	0	362.478	1.290	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)CC1	ZINC000369594672	989062192	/nfs/dbraw/zinc/06/21/92/989062192.db2.gz	ZXWPVIWESZBNSF-OAHLLOKOSA-N	1	0	357.429	1.783	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1	ZINC000369580000	989062370	/nfs/dbraw/zinc/06/23/70/989062370.db2.gz	WXZJBTIONZTDLM-YQQQUEKLSA-N	1	0	373.501	1.690	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)C2CCN(Cc3cc(C)no3)CC2)CC1	ZINC000363361693	989126050	/nfs/dbraw/zinc/12/60/50/989126050.db2.gz	WFFLTMREGCKRIC-UHFFFAOYSA-N	1	0	358.486	1.751	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)c1ccc(N2CCOC2=O)cc1	ZINC000296371718	989155099	/nfs/dbraw/zinc/15/50/99/989155099.db2.gz	OLJWZGXJWZYTAN-HNNXBMFYSA-N	1	0	358.442	1.959	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCN([C@H]2CCC[N@H+](C)C2)CC1	ZINC000363419908	989181645	/nfs/dbraw/zinc/18/16/45/989181645.db2.gz	YJZHZWNBCUSSBD-ROUUACIJSA-N	1	0	361.534	1.429	20	30		FDEDRO
CC[NH+](CC)CCOCCNC(=O)C(=O)Nc1cc(C#N)c(F)cc1C	ZINC000873801892	989222156	/nfs/dbraw/zinc/22/21/56/989222156.db2.gz	ZRFDADGPQBUUPS-UHFFFAOYSA-N	1	0	364.421	1.419	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1	ZINC000296494374	989241608	/nfs/dbraw/zinc/24/16/08/989241608.db2.gz	BCFZCFNUJDJWJX-INIZCTEOSA-N	1	0	354.458	1.925	20	30		FDEDRO
N#Cc1cccc(CCNC(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)c1	ZINC000369862931	989251216	/nfs/dbraw/zinc/25/12/16/989251216.db2.gz	JYIMOPVREJQYDW-RTBURBONSA-N	1	0	356.470	1.901	20	30		FDEDRO
C=CCN(C[C@@H](O)CN1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000363512528	989259490	/nfs/dbraw/zinc/25/94/90/989259490.db2.gz	VPAIHYWXIFFPGQ-SFTDATJTSA-N	1	0	359.514	1.442	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1	ZINC000296545735	989273973	/nfs/dbraw/zinc/27/39/73/989273973.db2.gz	VREZVONHJHGPNS-GOSISDBHSA-N	1	0	371.481	1.999	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)cc1C#N	ZINC000873860583	989344247	/nfs/dbraw/zinc/34/42/47/989344247.db2.gz	QQRVROCEKKJKFR-UHFFFAOYSA-N	1	0	356.426	1.638	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)cc1C(C)(F)F	ZINC000873896192	989409769	/nfs/dbraw/zinc/40/97/69/989409769.db2.gz	PVPFVAXANKBSSN-UHFFFAOYSA-N	1	0	355.360	1.947	20	30		FDEDRO
Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1	ZINC000873897173	989412942	/nfs/dbraw/zinc/41/29/42/989412942.db2.gz	JYQUNSVNPIQYAH-LBPRGKRZSA-N	1	0	358.417	1.887	20	30		FDEDRO
CC[C@@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1=O)c1ccc(C#N)cc1	ZINC000370083104	989438708	/nfs/dbraw/zinc/43/87/08/989438708.db2.gz	PMKOBWGSCWDUIX-UXHICEINSA-N	1	0	370.497	1.922	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N(C)[C@@H]1CCN(c2ccccc2F)C1=O	ZINC000297303622	989509429	/nfs/dbraw/zinc/50/94/29/989509429.db2.gz	HSLNUEAOMWSXIG-QGZVFWFLSA-N	1	0	360.433	1.528	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)N2CC[C@H](N3CC[NH+](CC)CC3)C2)cc1	ZINC000297611797	989579054	/nfs/dbraw/zinc/57/90/54/989579054.db2.gz	SUYUHZZFBDZREK-IBGZPJMESA-N	1	0	370.497	1.620	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CCC(CC)([NH+](C)C)CC2)cc1	ZINC000874037581	989666210	/nfs/dbraw/zinc/66/62/10/989666210.db2.gz	ZLUDXKSAKVFUPN-UHFFFAOYSA-N	1	0	357.454	1.970	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCc3cnn(CCOC)c32)CC1	ZINC000364635324	989690172	/nfs/dbraw/zinc/69/01/72/989690172.db2.gz	SPPCXEBBYUJTCG-QGZVFWFLSA-N	1	0	361.490	1.857	20	30		FDEDRO
CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)Oc3ccccc3C#N)C2)CC1	ZINC000370422273	989730590	/nfs/dbraw/zinc/73/05/90/989730590.db2.gz	HLBJWUDSEBPSPS-MJGOQNOKSA-N	1	0	370.497	1.952	20	30		FDEDRO
CCc1nnc(N2CCN([C@@H]3CCCCNC3=O)CC2)c(C#N)c1CC	ZINC000370450683	989756422	/nfs/dbraw/zinc/75/64/22/989756422.db2.gz	VAUSERZMEDNVGM-QGZVFWFLSA-N	1	0	356.474	1.264	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCN2C(=O)c2ccncc2)CC1	ZINC000364833190	989828747	/nfs/dbraw/zinc/82/87/47/989828747.db2.gz	JYIDFPZLDBQHDL-GOSISDBHSA-N	1	0	356.470	1.843	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@@]2(CNC(=O)O2)C1)C(C)C	ZINC000364869315	989854246	/nfs/dbraw/zinc/85/42/46/989854246.db2.gz	SBQOSLBYPGXYOZ-QFBILLFUSA-N	1	0	364.490	1.969	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c(F)cc1C#N	ZINC000874173330	989876100	/nfs/dbraw/zinc/87/61/00/989876100.db2.gz	GAGBEEIKYMRDSP-IAQYHMDHSA-N	1	0	360.389	1.197	20	30		FDEDRO
CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)CCN1C	ZINC000874179397	989900336	/nfs/dbraw/zinc/90/03/36/989900336.db2.gz	QYMZLJHAPCOHST-GDBMZVCRSA-N	1	0	358.442	1.715	20	30		FDEDRO
N#Cc1ccc(OCC[N@H+]2CCCN(c3ncccc3C(N)=O)CC2)cc1	ZINC000370796571	989994190	/nfs/dbraw/zinc/99/41/90/989994190.db2.gz	UCEDUOMEODATCF-UHFFFAOYSA-N	1	0	365.437	1.643	20	30		FDEDRO
C[C@@H](CNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1)[N@H+](C)C1CC1	ZINC000365064213	989994776	/nfs/dbraw/zinc/99/47/76/989994776.db2.gz	BZLBUDXNLDRXOV-KBXCAEBGSA-N	1	0	354.454	1.648	20	30		FDEDRO
CON=C(C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)c1csc(N)n1	ZINC000874264513	989997510	/nfs/dbraw/zinc/99/75/10/989997510.db2.gz	WSELPRIIFHPLJK-UHFFFAOYSA-N	1	0	361.471	1.796	20	30		FDEDRO
CN(C(=O)COc1ccccc1C#N)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000370829365	990023079	/nfs/dbraw/zinc/02/30/79/990023079.db2.gz	GAWNXBCHZKUPPF-GOSISDBHSA-N	1	0	356.470	1.564	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)CCCN1C(=O)CN(C)C1=O)C(C)C	ZINC000298316560	990037485	/nfs/dbraw/zinc/03/74/85/990037485.db2.gz	YEWSCLWLHHJTOG-MRXNPFEDSA-N	1	0	364.490	1.475	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCN2C)CC1	ZINC000874436531	990278135	/nfs/dbraw/zinc/27/81/35/990278135.db2.gz	JRJHKFUBVITCGP-MRXNPFEDSA-N	1	0	366.506	1.304	20	30		FDEDRO
CON=C(C(=O)N(CC[NH+](C)C)Cc1ccccn1)c1csc(N)n1	ZINC000874441005	990282966	/nfs/dbraw/zinc/28/29/66/990282966.db2.gz	DIBXADXRIODWRS-UHFFFAOYSA-N	1	0	362.459	1.061	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)c1	ZINC000371230723	990315894	/nfs/dbraw/zinc/31/58/94/990315894.db2.gz	RWEHROBNMUBXHM-MJGOQNOKSA-N	1	0	366.465	1.650	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000371269144	990327222	/nfs/dbraw/zinc/32/72/22/990327222.db2.gz	QVWWPFSVEMLQMS-SJLPKXTDSA-N	1	0	369.465	1.251	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1)n1cnc(C#N)n1	ZINC000874510138	990339810	/nfs/dbraw/zinc/33/98/10/990339810.db2.gz	JIIVBLWICKOKCP-RIFZZMRRSA-N	1	0	364.453	1.691	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC(C)CC2)C1	ZINC000968717587	1015565920	/nfs/dbraw/zinc/56/59/20/1015565920.db2.gz	YLMICCJQVPEOJZ-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
CCCC[C@H](NC(N)=O)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000371535041	990507991	/nfs/dbraw/zinc/50/79/91/990507991.db2.gz	PSCXVVZHAZEVNT-KRWDZBQOSA-N	1	0	371.485	1.888	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)NCc1ccccc1C[NH+]1CCCCC1	ZINC000875014666	990731604	/nfs/dbraw/zinc/73/16/04/990731604.db2.gz	WDKBKTCPRQVUGN-IBGZPJMESA-N	1	0	371.481	1.443	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1	ZINC000875015004	990732951	/nfs/dbraw/zinc/73/29/51/990732951.db2.gz	XNZJMTMGSMZEBM-IBGZPJMESA-N	1	0	371.481	1.443	20	30		FDEDRO
C[C@H](C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C)n1cnc(C#N)n1	ZINC000409737192	990787368	/nfs/dbraw/zinc/78/73/68/990787368.db2.gz	AWIXLGCHUUNWCU-JKSUJKDBSA-N	1	0	352.442	1.834	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000875116464	990919775	/nfs/dbraw/zinc/91/97/75/990919775.db2.gz	GQOMZHQLJLFHSZ-OALUTQOASA-N	1	0	371.481	1.169	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1	ZINC000875122367	990926398	/nfs/dbraw/zinc/92/63/98/990926398.db2.gz	MSNSMCZWIYYHFC-JKSUJKDBSA-N	1	0	351.491	1.158	20	30		FDEDRO
C[C@H]1CN(CCNC(=O)N2CCN(c3ccc(C#N)cc3)CC2)CCO1	ZINC000875193668	991042450	/nfs/dbraw/zinc/04/24/50/991042450.db2.gz	CUTSOGHWQYKLPT-INIZCTEOSA-N	1	0	357.458	1.111	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000875223380	991121874	/nfs/dbraw/zinc/12/18/74/991121874.db2.gz	LPRFXXKCBFBOKT-RBUKOAKNSA-N	1	0	371.481	1.312	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1	ZINC000875235627	991162098	/nfs/dbraw/zinc/16/20/98/991162098.db2.gz	OCUHAYGKRAPSDZ-FUHWJXTLSA-N	1	0	363.502	1.444	20	30		FDEDRO
COC(=O)CN1CCC([NH2+][C@@H]2CCCN(c3ccccc3C#N)C2)CC1	ZINC000372526010	991186375	/nfs/dbraw/zinc/18/63/75/991186375.db2.gz	ZNOHSJSTGSHREG-GOSISDBHSA-N	1	0	356.470	1.754	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CC[C@H](C[NH+](C)C)C3)C2)n1	ZINC000372673443	991330670	/nfs/dbraw/zinc/33/06/70/991330670.db2.gz	HLDDKRPHVPUTDY-SJLPKXTDSA-N	1	0	355.486	1.888	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000875336443	991343632	/nfs/dbraw/zinc/34/36/32/991343632.db2.gz	RUHTUIOPAUCHPC-QXAKKESOSA-N	1	0	371.481	1.168	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N	ZINC000875489794	991637476	/nfs/dbraw/zinc/63/74/76/991637476.db2.gz	PIPAPBJTDASEFR-RDBSUJKOSA-N	1	0	351.451	1.139	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000875599373	991787520	/nfs/dbraw/zinc/78/75/20/991787520.db2.gz	PGGCFOHBGKBYOG-OALUTQOASA-N	1	0	371.481	1.264	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000875606420	991796602	/nfs/dbraw/zinc/79/66/02/991796602.db2.gz	URXYWNXUQIDGOM-IEBWSBKVSA-N	1	0	371.481	1.264	20	30		FDEDRO
Cc1cc([C@H]2CCC[N@@H+](CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)C2)[nH]n1	ZINC000373138393	991950002	/nfs/dbraw/zinc/95/00/02/991950002.db2.gz	IJMBUFXVLFEHBN-PKOBYXMFSA-N	1	0	372.517	1.590	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3CN(C4CC4)CCO3)CC2)cc1	ZINC000373179037	991980984	/nfs/dbraw/zinc/98/09/84/991980984.db2.gz	NQOQJPPEFNSNJX-OAQYLSRUSA-N	1	0	354.498	1.975	20	30		FDEDRO
C=CCC[C@@H](O)CN1CC[N@@H+](C[C@@H](O)CCC=C)C[C@H]1c1cnn(C)c1	ZINC000373272312	992085749	/nfs/dbraw/zinc/08/57/49/992085749.db2.gz	FFMQKGPYYHERMR-ZCNNSNEGSA-N	1	0	362.518	1.733	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000875914537	992185495	/nfs/dbraw/zinc/18/54/95/992185495.db2.gz	YAVOCOPBIFGYPJ-FPOVZHCZSA-N	1	0	373.497	1.693	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1	ZINC000875916132	992188316	/nfs/dbraw/zinc/18/83/16/992188316.db2.gz	BUFHMASXYAAYNJ-GOSISDBHSA-N	1	0	350.507	1.084	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000875918373	992189873	/nfs/dbraw/zinc/18/98/73/992189873.db2.gz	QGSFRQRWJOALRT-AQNXPRMDSA-N	1	0	373.497	1.597	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1	ZINC000875919656	992192069	/nfs/dbraw/zinc/19/20/69/992192069.db2.gz	MZVPLYCMMNQDBK-QZTJIDSGSA-N	1	0	350.507	1.226	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1	ZINC000875922024	992195604	/nfs/dbraw/zinc/19/56/04/992195604.db2.gz	NAARPBILQNSSST-GOSISDBHSA-N	1	0	358.486	1.768	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)CC2)CC[N@@H+]1C	ZINC000964851317	1015690371	/nfs/dbraw/zinc/69/03/71/1015690371.db2.gz	LIILVOZTEUMQFB-QILLFSRXSA-N	1	0	371.485	1.728	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@H](C#N)Cc1ccc(C#N)cc1	ZINC000373408765	992203628	/nfs/dbraw/zinc/20/36/28/992203628.db2.gz	ZDOVADDSWHQVIP-NMLBUPMWSA-N	1	0	366.465	1.951	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cn(CC)nc2-c2cnn(C)c2)CC1	ZINC000373757661	992415196	/nfs/dbraw/zinc/41/51/96/992415196.db2.gz	MZZBYZLRTBUFKT-UHFFFAOYSA-N	1	0	354.458	1.521	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCN(CC(=O)N(C)C3(C#N)CCCCC3)CC2)CCO1	ZINC000373919190	992517239	/nfs/dbraw/zinc/51/72/39/992517239.db2.gz	BPQZCACPMSHMRN-QGZVFWFLSA-N	1	0	362.518	1.856	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCCN(C(=O)CC3CCCC3)CC2)CC1	ZINC000373950760	992526335	/nfs/dbraw/zinc/52/63/35/992526335.db2.gz	YFKPZUZKHDMJLW-UHFFFAOYSA-N	1	0	359.514	1.973	20	30		FDEDRO
CC[C@H](C)[C@@H](NC(N)=O)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000374046462	992572430	/nfs/dbraw/zinc/57/24/30/992572430.db2.gz	VDHSWPBFPMPLGU-DOTOQJQBSA-N	1	0	371.485	1.744	20	30		FDEDRO
C=CCN1CC[C@@H]([NH+]2CCC(CC(=O)N3CCN(CC)CC3)CC2)C1=O	ZINC000374100963	992610579	/nfs/dbraw/zinc/61/05/79/992610579.db2.gz	HOTWGNHPYAJJHW-GOSISDBHSA-N	1	0	362.518	1.040	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC([C@H](C)[NH3+])CC2)s1	ZINC000876522965	992684934	/nfs/dbraw/zinc/68/49/34/992684934.db2.gz	HKSRYNBDCKNGDH-LBPRGKRZSA-N	1	0	371.528	1.341	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC2CCC(C#N)CC2)CC1=O	ZINC000374237074	992717601	/nfs/dbraw/zinc/71/76/01/992717601.db2.gz	IQEXIBKEXMFEQE-HIEASXQVSA-N	1	0	360.502	1.765	20	30		FDEDRO
C=CCN(C(=O)c1csc(C2CC[NH2+]CC2)n1)[C@@H]1CCS(=O)(=O)C1	ZINC000876613660	992741940	/nfs/dbraw/zinc/74/19/40/992741940.db2.gz	GLRYNLABRNRZML-CYBMUJFWSA-N	1	0	369.512	1.425	20	30		FDEDRO
CCCC(=O)NC[C@@H]1CCCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876631749	992756649	/nfs/dbraw/zinc/75/66/49/992756649.db2.gz	FCEOQCMFZUPXBH-JXFKEZNVSA-N	1	0	368.481	1.900	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1	ZINC000876692132	992799663	/nfs/dbraw/zinc/79/96/63/992799663.db2.gz	XQCPEANGFBVMOZ-FZMZJTMJSA-N	1	0	363.767	1.992	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccccc1OCC(=O)N1CCOCC1	ZINC000876696029	992803228	/nfs/dbraw/zinc/80/32/28/992803228.db2.gz	NYRLDLBXMBQSBH-ZDUSSCGKSA-N	1	0	367.833	1.333	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1	ZINC000876718641	992828096	/nfs/dbraw/zinc/82/80/96/992828096.db2.gz	XJTRWYGCDDJWJC-AWEZNQCLSA-N	1	0	350.850	1.483	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1	ZINC000876759687	992881129	/nfs/dbraw/zinc/88/11/29/992881129.db2.gz	QFBAGNYNIHHDDD-IRXDYDNUSA-N	1	0	351.878	1.516	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1	ZINC000876772275	992895219	/nfs/dbraw/zinc/89/52/19/992895219.db2.gz	KSIPARONRYGTFP-BHYGNILZSA-N	1	0	351.878	1.862	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)[C@H]3[NH2+]CCc4cc(C#N)ccc43)CC2)n1	ZINC000876772984	992897460	/nfs/dbraw/zinc/89/74/60/992897460.db2.gz	KSFLLSJTAFZRJS-INIZCTEOSA-N	1	0	368.466	1.254	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)CN1CCN(c2ccccc2)CC1	ZINC000876784793	992912857	/nfs/dbraw/zinc/91/28/57/992912857.db2.gz	KEOQFMUXLYSUMZ-DOTOQJQBSA-N	1	0	350.894	1.783	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCc3ccc(S(C)(=O)=O)cc3CC2)CC1	ZINC000374673281	992920673	/nfs/dbraw/zinc/92/06/73/992920673.db2.gz	WUNJZXOHCPTTTB-UHFFFAOYSA-N	1	0	374.506	1.363	20	30		FDEDRO
CC(C)(C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C#N)cc1	ZINC000876841311	992933488	/nfs/dbraw/zinc/93/34/88/992933488.db2.gz	OTHOEZHOJQYLEW-OAHLLOKOSA-N	1	0	368.403	1.788	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN(C)C1CC[NH+](CCc2ccncc2)CC1	ZINC000374746478	992935044	/nfs/dbraw/zinc/93/50/44/992935044.db2.gz	ARUBILCIZHQEAE-UHFFFAOYSA-N	1	0	359.474	1.032	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1	ZINC000876896117	992956590	/nfs/dbraw/zinc/95/65/90/992956590.db2.gz	VJIVBZMDGBCZHK-AWEZNQCLSA-N	1	0	357.863	1.313	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[C@H](OCc2ccncc2)C1	ZINC000876909600	992962527	/nfs/dbraw/zinc/96/25/27/992962527.db2.gz	CPMKXSRWGDSZBK-ICSRJNTNSA-N	1	0	362.433	1.958	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O	ZINC000876911470	992964143	/nfs/dbraw/zinc/96/41/43/992964143.db2.gz	DXXDXTZQRXYRIZ-NEWSRXKRSA-N	1	0	369.465	1.429	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCCCC[C@@H]([NH3+])C2)ccc1F	ZINC000877128003	993062335	/nfs/dbraw/zinc/06/23/35/993062335.db2.gz	OYZZAUUTPLPGQZ-CQSZACIVSA-N	1	0	369.462	1.634	20	30		FDEDRO
N#CCOc1ccc(CN2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cc1	ZINC001137116709	993083161	/nfs/dbraw/zinc/08/31/61/993083161.db2.gz	NXDSALDZPKWXAP-MJGOQNOKSA-N	1	0	365.437	1.716	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1)C(=O)NC1(C#N)CCCCC1	ZINC000375470352	993164521	/nfs/dbraw/zinc/16/45/21/993164521.db2.gz	JJYZKYMCUFIAFU-KSZLIROESA-N	1	0	362.518	1.951	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)s1	ZINC000877273849	993168381	/nfs/dbraw/zinc/16/83/81/993168381.db2.gz	RMFCQCIUBQZZRH-ZIAGYGMSSA-N	1	0	369.512	1.108	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CC[C@H]3O[C@@H](C(=O)N4CCCO4)CC[C@H]32)cc1	ZINC001137117838	993193894	/nfs/dbraw/zinc/19/38/94/993193894.db2.gz	INONVJKNQKDABZ-GUDVDZBRSA-N	1	0	371.437	1.875	20	30		FDEDRO
N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)NCC1C[C@H]2CC[C@@H](C1)S2(=O)=O	ZINC000877314242	993205840	/nfs/dbraw/zinc/20/58/40/993205840.db2.gz	VWEJVJAOOFOQKL-NZZOQPFGSA-N	1	0	373.478	1.217	20	30		FDEDRO
CN(CCC#N)c1ccc(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)cc1	ZINC000375518534	993209759	/nfs/dbraw/zinc/20/97/59/993209759.db2.gz	IQZNRUZIQJBEPX-MOPGFXCFSA-N	1	0	366.469	1.471	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N(C)CCCCCC[NH3+])ccc1F	ZINC000877441338	993285631	/nfs/dbraw/zinc/28/56/31/993285631.db2.gz	GVWFLRGJWFJNRW-UHFFFAOYSA-N	1	0	371.478	1.881	20	30		FDEDRO
COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cnc3c(C#N)cnn3c2)cc1	ZINC000877831093	993531942	/nfs/dbraw/zinc/53/19/42/993531942.db2.gz	PEWWNAFXZABYNY-IBGZPJMESA-N	1	0	351.410	1.693	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CO[C@H](CCC(=O)OC(C)(C)C)C2)CC1	ZINC000878222083	993801806	/nfs/dbraw/zinc/80/18/06/993801806.db2.gz	AAJXOZZZVRSGKU-LSDHHAIUSA-N	1	0	365.474	1.618	20	30		FDEDRO
C[NH+]1CCC(NC(=O)CN2CCN([C@H](C#N)c3ccccc3)CC2)CC1	ZINC000878252676	993839739	/nfs/dbraw/zinc/83/97/39/993839739.db2.gz	RAYMRCZYJCYCEU-LJQANCHMSA-N	1	0	355.486	1.079	20	30		FDEDRO
C#CCN(C(=O)NCCc1cn(C)c2ncccc12)C1CC[NH+](C)CC1	ZINC000923924252	994271200	/nfs/dbraw/zinc/27/12/00/994271200.db2.gz	OLBYQMPDCPHVTL-UHFFFAOYSA-N	1	0	353.470	1.855	20	30		FDEDRO
N#Cc1ccc(C2CC[NH+]([C@@H]3CCN(C4CCOCC4)C3=O)CC2)nc1	ZINC000879026660	994456280	/nfs/dbraw/zinc/45/62/80/994456280.db2.gz	KSLHXLBKNBSXQH-LJQANCHMSA-N	1	0	354.454	1.913	20	30		FDEDRO
CCOC(=O)c1nnn(C2CC[NH+](CCO[C@@H](C)C#N)CC2)c1C(F)F	ZINC000879300165	994750904	/nfs/dbraw/zinc/75/09/04/994750904.db2.gz	VLLBZDWQNJUFRZ-NSHDSACASA-N	1	0	371.388	1.958	20	30		FDEDRO
CO[C@H]1CC[C@@H](C)[N@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1	ZINC000879322716	994772783	/nfs/dbraw/zinc/77/27/83/994772783.db2.gz	VJBRFGCNTDJJAO-HIFRSBDPSA-N	1	0	361.446	1.003	20	30		FDEDRO
CCOC(=O)[C@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)CCC1(F)F	ZINC000879368028	994838810	/nfs/dbraw/zinc/83/88/10/994838810.db2.gz	VCJYMNMKHHRYBM-UONOGXRCSA-N	1	0	360.401	1.578	20	30		FDEDRO
CN(C(=O)CN1CCC([NH+]2CCN(C)CC2)CC1)C1(C#N)CCCCC1	ZINC000879590599	995055662	/nfs/dbraw/zinc/05/56/62/995055662.db2.gz	BJVRVWULXIMQHW-UHFFFAOYSA-N	1	0	361.534	1.383	20	30		FDEDRO
C#CCN(C(=O)NC[C@H](Cc1ccccc1)C(=O)OC)C1CC[NH+](C)CC1	ZINC000924958990	995184732	/nfs/dbraw/zinc/18/47/32/995184732.db2.gz	ISLDJAYDOIQGIU-SFHVURJKSA-N	1	0	371.481	1.757	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCC2(C)CCN(c3cnc(C#N)cn3)CC2)CC[N@@H+]1C	ZINC001110898216	995231401	/nfs/dbraw/zinc/23/14/01/995231401.db2.gz	VLOJARWELITYNB-GDBMZVCRSA-N	1	0	356.474	1.411	20	30		FDEDRO
C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cn1cccn1	ZINC001110902320	995511139	/nfs/dbraw/zinc/51/11/39/995511139.db2.gz	UTCZSKPLVRCUGZ-HCXYKTFWSA-N	1	0	358.486	1.549	20	30		FDEDRO
C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC1(CO)COC1	ZINC000925583914	995668768	/nfs/dbraw/zinc/66/87/68/995668768.db2.gz	IVCBIXRVYAEYAP-OAHLLOKOSA-N	1	0	367.490	1.904	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(C#N)cn2)[C@@H](C)C1	ZINC000780469336	995805141	/nfs/dbraw/zinc/80/51/41/995805141.db2.gz	WOTYKHSQGGJJMC-MAUKXSAKSA-N	1	0	359.474	1.889	20	30		FDEDRO
C[C@@H]1CN(C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)C[C@@H](C)N1CC#N	ZINC000925920323	995827901	/nfs/dbraw/zinc/82/79/01/995827901.db2.gz	SJOMIPCQYUFFFF-NUJGCVRESA-N	1	0	358.490	1.702	20	30		FDEDRO
C=CCNc1ncc(C(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)s1	ZINC000926195686	995974294	/nfs/dbraw/zinc/97/42/94/995974294.db2.gz	YYPVUUHEMYBZTK-ACXGAUJLSA-N	1	0	364.515	1.951	20	30		FDEDRO
C=CCn1cc2ccc(NC(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)cc2n1	ZINC000926223583	995980004	/nfs/dbraw/zinc/98/00/04/995980004.db2.gz	IVCXVICMOUUHHJ-KRWDZBQOSA-N	1	0	354.458	1.734	20	30		FDEDRO
C=CCn1cc2ccc(NC(=O)N3CC[C@@H](N4CC[NH2+]CC4)C3)cc2n1	ZINC000926222943	995980170	/nfs/dbraw/zinc/98/01/70/995980170.db2.gz	FRNKOHWDDORCGY-QGZVFWFLSA-N	1	0	354.458	1.734	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O	ZINC000926268111	996011658	/nfs/dbraw/zinc/01/16/58/996011658.db2.gz	FTTWJKWGCPQULZ-MYLBCWQPSA-N	1	0	350.503	1.954	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCC2(CC([NH2+]CCn3cnc(C#N)n3)C2)CC1	ZINC000926413173	996130483	/nfs/dbraw/zinc/13/04/83/996130483.db2.gz	YWEUQVCYFHMULY-UHFFFAOYSA-N	1	0	360.462	1.919	20	30		FDEDRO
N#Cc1ccccc1N1CCC([NH2+][C@@H]2C(=O)NCC23CCOCC3)CC1	ZINC000926786775	996302742	/nfs/dbraw/zinc/30/27/42/996302742.db2.gz	SDVADIMTBDXASR-GOSISDBHSA-N	1	0	354.454	1.412	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1nncn1C)C2	ZINC000965425162	1016060361	/nfs/dbraw/zinc/06/03/61/1016060361.db2.gz	QQSQEVJMPFWCRH-PWVIFBGPSA-N	1	0	359.474	1.313	20	30		FDEDRO
CCN(C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[C@H]1CC[NH2+]C1	ZINC000887007188	996823489	/nfs/dbraw/zinc/82/34/89/996823489.db2.gz	FSEHOWHGWOJWNY-LBPRGKRZSA-N	1	0	370.331	1.606	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c1	ZINC000887033536	996845851	/nfs/dbraw/zinc/84/58/51/996845851.db2.gz	ULSGZZAMMIIQQO-LBPRGKRZSA-N	1	0	353.369	1.551	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)Nc2nc(CC(=O)OCC)cs2)CCOCC1	ZINC000887122408	996953584	/nfs/dbraw/zinc/95/35/84/996953584.db2.gz	XDXIPAUGTNEKBD-UHFFFAOYSA-N	1	0	365.455	1.349	20	30		FDEDRO
C#CCC1([NH2+]CCCN2C(=O)CS/C2=C/C(=O)OC)CCOCC1	ZINC000887123291	996954151	/nfs/dbraw/zinc/95/41/51/996954151.db2.gz	ILIDPVXQPSSYSQ-NTCAYCPXSA-N	1	0	352.456	1.128	20	30		FDEDRO
Cn1nncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OCC#N)cc1	ZINC001095372606	996975296	/nfs/dbraw/zinc/97/52/96/996975296.db2.gz	ZTZHRTRGLOOPOP-PVAVHDDUSA-N	1	0	366.425	1.253	20	30		FDEDRO
CN1CCN(C(=O)c2ccc(CNC(=[NH2+])Nc3ccccn3)cc2)CC1	ZINC000264077830	997397745	/nfs/dbraw/zinc/39/77/45/997397745.db2.gz	HXBQVPHQILDRMH-UHFFFAOYSA-N	1	0	352.442	1.396	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2cn3cc(C)ccc3n2)CC1	ZINC000264084040	997398214	/nfs/dbraw/zinc/39/82/14/997398214.db2.gz	IKMSMJJTZFXGQJ-UHFFFAOYSA-N	1	0	358.446	1.668	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccc(OC(C)C)nc2)CC1	ZINC000264123966	997407469	/nfs/dbraw/zinc/40/74/69/997407469.db2.gz	VWXXFAJVBHJJAP-UHFFFAOYSA-N	1	0	363.462	1.894	20	30		FDEDRO
Cc1ccccc1[C@@H](CC(=O)N(CCC#N)CCC[NH+](C)C)NC(N)=O	ZINC000264265713	997443504	/nfs/dbraw/zinc/44/35/04/997443504.db2.gz	QMOSBEQRDWNSDN-QGZVFWFLSA-N	1	0	359.474	1.789	20	30		FDEDRO
C#CCC1(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)CCOCC1	ZINC000887679945	997643199	/nfs/dbraw/zinc/64/31/99/997643199.db2.gz	OLNBWEXGKBRIFV-UHFFFAOYSA-N	1	0	356.470	1.918	20	30		FDEDRO
C=CCNC(=O)c1ccc(NCCC[NH+]2CCC(C(=O)OC)CC2)nc1	ZINC000264898297	997651760	/nfs/dbraw/zinc/65/17/60/997651760.db2.gz	VIRHCAAVYUMARJ-UHFFFAOYSA-N	1	0	360.458	1.684	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](C(=O)N2CCO[C@](C)(C#N)C2)[C@@H](c2cnn(C)c2)C1	ZINC000887692418	997657379	/nfs/dbraw/zinc/65/73/79/997657379.db2.gz	MKAWQPUEVZSECM-YQVWRLOYSA-N	1	0	359.474	1.375	20	30		FDEDRO
C#CC[C@@H]1CCN(C(=O)NCc2ccc(N3CC[NH+](CC)CC3)nc2)C1	ZINC000887697246	997662570	/nfs/dbraw/zinc/66/25/70/997662570.db2.gz	VHJZOEWNJWIEJY-QGZVFWFLSA-N	1	0	355.486	1.778	20	30		FDEDRO
CC[NH+](CC)[C@H](CNC(=O)CCNC(=O)C1N=CC=CC1=O)c1ccco1	ZINC000265049535	997684090	/nfs/dbraw/zinc/68/40/90/997684090.db2.gz	PIZREEPJLJNQHC-ORIGZDJFSA-N	1	0	374.441	1.695	20	30		FDEDRO
C[NH+](C)CCn1nccc1C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1	ZINC000887736649	997713648	/nfs/dbraw/zinc/71/36/48/997713648.db2.gz	GIHGSIVHXDASNW-GOSISDBHSA-N	1	0	353.426	1.530	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1N1CCN(c2nccnc2C#N)CC1	ZINC000265544462	997846124	/nfs/dbraw/zinc/84/61/24/997846124.db2.gz	FLHIWHMEKNBFBZ-UHFFFAOYSA-N	1	0	352.442	1.615	20	30		FDEDRO
[NH2+]=C(NC[C@H](O)Cc1ccccc1)N1CCN(c2ccc(F)cc2)CC1	ZINC000104193341	998316764	/nfs/dbraw/zinc/31/67/64/998316764.db2.gz	LBVKPKNELLQFCE-LJQANCHMSA-N	1	0	356.445	1.866	20	30		FDEDRO
N#Cc1cccc(-n2ccc(C(=O)N3CC[C@@H]4[C@H]3CCC[N@H+]4CCO)n2)c1	ZINC000889755097	998600764	/nfs/dbraw/zinc/60/07/64/998600764.db2.gz	HGPHZSOYSIPYBG-RTBURBONSA-N	1	0	365.437	1.415	20	30		FDEDRO
N#Cc1ccc(C[C@H](C#N)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cc1	ZINC000889756599	998604330	/nfs/dbraw/zinc/60/43/30/998604330.db2.gz	PCMYDGORRUXORA-QYZOEREBSA-N	1	0	352.438	1.298	20	30		FDEDRO
COC1CC[NH+](CCNC(=O)C(=O)Nc2ccc(C3CC3)c(C#N)c2)CC1	ZINC000890001663	998765119	/nfs/dbraw/zinc/76/51/19/998765119.db2.gz	OFEMNOFLYVVJQW-UHFFFAOYSA-N	1	0	370.453	1.601	20	30		FDEDRO
C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(CC#N)n2)[C@@H]1c1ccccc1	ZINC000890046745	998792151	/nfs/dbraw/zinc/79/21/51/998792151.db2.gz	ZTTPPJORXFTJCH-WMZOPIPTSA-N	1	0	363.421	1.648	20	30		FDEDRO
C=CCCC(C)(C)NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000890130202	998832108	/nfs/dbraw/zinc/83/21/08/998832108.db2.gz	NGKKWJINQJZZAV-QGZVFWFLSA-N	1	0	352.523	1.827	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)N[C@](C)(CO)Cc2ccccc2OC)C1	ZINC000890361382	998913331	/nfs/dbraw/zinc/91/33/31/998913331.db2.gz	POAXYUAXFGCHHV-XLIONFOSSA-N	1	0	359.470	1.386	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)N[C@@](C)(CO)Cc2ccccc2OC)C1	ZINC000890361383	998913513	/nfs/dbraw/zinc/91/35/13/998913513.db2.gz	POAXYUAXFGCHHV-YLJYHZDGSA-N	1	0	359.470	1.386	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c2ccc(OC)cc2)C1	ZINC000890364615	998915055	/nfs/dbraw/zinc/91/50/55/998915055.db2.gz	DXBOGDDKXLZNTO-MJGOQNOKSA-N	1	0	358.486	1.695	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(C4CC4)c(C#N)c3)CC[C@@H]21	ZINC000890429192	998939497	/nfs/dbraw/zinc/93/94/97/998939497.db2.gz	CYGHNXALDVTGNF-KDOFPFPSSA-N	1	0	352.438	1.927	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CCC)S(N)(=O)=O)C2	ZINC001110856555	999050559	/nfs/dbraw/zinc/05/05/59/999050559.db2.gz	HJNUYCRVEVUSSW-WCXIOVBPSA-N	1	0	371.547	1.912	20	30		FDEDRO
N#CCc1ccccc1CC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1	ZINC000777414337	999073766	/nfs/dbraw/zinc/07/37/66/999073766.db2.gz	KBOYVVOTMIYQPL-OAQYLSRUSA-N	1	0	363.461	1.831	20	30		FDEDRO
COC[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)CCOC1	ZINC001110864796	999076155	/nfs/dbraw/zinc/07/61/55/999076155.db2.gz	NXJQBHUOZKHSMN-WERVVEIQSA-N	1	0	369.465	1.833	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2	ZINC000266708144	999216891	/nfs/dbraw/zinc/21/68/91/999216891.db2.gz	PZHDWNZYKNBZEH-XUJVJEKNSA-N	1	0	374.441	1.847	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2N2CCOC2=O)CC1	ZINC000266740127	999224103	/nfs/dbraw/zinc/22/41/03/999224103.db2.gz	QQZLJUFHSBQBIE-UHFFFAOYSA-N	1	0	372.425	1.348	20	30		FDEDRO
C[NH+](C)CCN(C(=O)CCNC(=O)C1N=CC=CC1=O)C1CCCCC1	ZINC000266863759	999251018	/nfs/dbraw/zinc/25/10/18/999251018.db2.gz	VCRVHGMAHYXRMX-HNENSFHCSA-N	1	0	362.474	1.626	20	30		FDEDRO
C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1	ZINC000267353961	999318538	/nfs/dbraw/zinc/31/85/38/999318538.db2.gz	IISPPRBMIIQBSM-IAGOWNOFSA-N	1	0	356.474	1.658	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC(=O)Nc2cc(OC)cc(OC)c2)CC1	ZINC000267767936	999391917	/nfs/dbraw/zinc/39/19/17/999391917.db2.gz	ZZSUCJUOAUBTMD-UHFFFAOYSA-N	1	0	359.426	1.104	20	30		FDEDRO
C#CCCNC(=O)C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000269376710	999467100	/nfs/dbraw/zinc/46/71/00/999467100.db2.gz	LAQOFKPUSSWKRP-QGZVFWFLSA-N	1	0	365.437	1.408	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C(C)C	ZINC000269591822	999470036	/nfs/dbraw/zinc/47/00/36/999470036.db2.gz	CRACARZCHAEBIB-OAHLLOKOSA-N	1	0	362.430	1.571	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000270129408	999515800	/nfs/dbraw/zinc/51/58/00/999515800.db2.gz	BCNQSNNNVFJACT-CABCVRRESA-N	1	0	354.454	1.684	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000270129414	999516026	/nfs/dbraw/zinc/51/60/26/999516026.db2.gz	BCNQSNNNVFJACT-HUUCEWRRSA-N	1	0	354.454	1.684	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C	ZINC000270183189	999522179	/nfs/dbraw/zinc/52/21/79/999522179.db2.gz	GUEHTQPQKXXDQU-UHFFFAOYSA-N	1	0	363.458	1.583	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1	ZINC000270239856	999529050	/nfs/dbraw/zinc/52/90/50/999529050.db2.gz	VNOVRQPHRGLZKL-UHFFFAOYSA-N	1	0	370.453	1.064	20	30		FDEDRO
CCOC(=O)c1cnn2c1nccc2C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000270910994	999632842	/nfs/dbraw/zinc/63/28/42/999632842.db2.gz	QDMWOXNGAFVRSL-UHFFFAOYSA-N	1	0	372.429	1.214	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)nn1CCC#N	ZINC000271053363	999653418	/nfs/dbraw/zinc/65/34/18/999653418.db2.gz	XGHSDNHXVKTFLC-HNNXBMFYSA-N	1	0	374.489	1.672	20	30		FDEDRO
COc1cccc(OCCN2CC[NH+](CCC(=O)N(C)CCC#N)CC2)c1	ZINC000271547147	999711070	/nfs/dbraw/zinc/71/10/70/999711070.db2.gz	MJHRNFMJCVWLAT-UHFFFAOYSA-N	1	0	374.485	1.454	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NCCCn1ccnc1)C(C)C	ZINC000283412404	999751846	/nfs/dbraw/zinc/75/18/46/999751846.db2.gz	YXDRTUPTGWEABX-QGZVFWFLSA-N	1	0	361.490	1.204	20	30		FDEDRO
C#CCN(C)C(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1	ZINC000283707048	999760446	/nfs/dbraw/zinc/76/04/46/999760446.db2.gz	VWBMOOYPBSECQB-UHFFFAOYSA-N	1	0	354.454	1.249	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NCC[N@H+](C)Cc1ccccc1	ZINC000284326860	999807961	/nfs/dbraw/zinc/80/79/61/999807961.db2.gz	ADWDBEVYYUFQAN-UHFFFAOYSA-N	1	0	364.449	1.765	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cccc(F)n1	ZINC000284840117	999871881	/nfs/dbraw/zinc/87/18/81/999871881.db2.gz	SMBJSXVSNAFMDV-UHFFFAOYSA-N	1	0	369.400	1.621	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCOc3ccccc32)CC1	ZINC000285881319	999922474	/nfs/dbraw/zinc/92/24/74/999922474.db2.gz	IRTBUXDOVPNTCX-HNNXBMFYSA-N	1	0	357.454	1.436	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)NCCC1CC[NH+](C)CC1	ZINC000286115832	999939909	/nfs/dbraw/zinc/93/99/09/999939909.db2.gz	XODRUAPJHJWNFY-UHFFFAOYSA-N	1	0	359.470	1.716	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](c2ncccc2C)C(C)C)CC1	ZINC000286354594	999944007	/nfs/dbraw/zinc/94/40/07/999944007.db2.gz	BREFPQCXDXJWBO-KRWDZBQOSA-N	1	0	358.486	1.970	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1	ZINC000286516427	999945028	/nfs/dbraw/zinc/94/50/28/999945028.db2.gz	BIUPHQJANNXMNY-UHFFFAOYSA-N	1	0	361.486	1.710	20	30		FDEDRO
C=CCOc1ccc(CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)cc1	ZINC000287138147	999954988	/nfs/dbraw/zinc/95/49/88/999954988.db2.gz	BCZPFRRULPUZGU-QGZVFWFLSA-N	1	0	360.458	1.390	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1cc2n(n1)CCCC2)C(C)C	ZINC000287244832	999955903	/nfs/dbraw/zinc/95/59/03/999955903.db2.gz	ABQYORVVXJPJSR-QGZVFWFLSA-N	1	0	373.501	1.973	20	30		FDEDRO
Cc1nccn1CCCCNC(=O)C(=O)N(C)Cc1cccc(C#N)c1	ZINC000287841711	999965472	/nfs/dbraw/zinc/96/54/72/999965472.db2.gz	DBZKYEWERPHUAS-UHFFFAOYSA-N	1	0	353.426	1.618	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1	ZINC000288199859	999996145	/nfs/dbraw/zinc/99/61/45/999996145.db2.gz	PJPQCXOMKNMXHY-QAPCUYQASA-N	1	0	355.438	1.722	20	30		FDEDRO
CC(C)[C@@](C)([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C(N)=O	ZINC000289320033	1000090266	/nfs/dbraw/zinc/09/02/66/1000090266.db2.gz	JYQBBXBKOUHSOA-GOSISDBHSA-N	1	0	354.414	1.172	20	30		FDEDRO
C=CCn1c(-c2ccccn2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1	ZINC000289761863	1000117645	/nfs/dbraw/zinc/11/76/45/1000117645.db2.gz	RTSBWMVDUSDISG-QGZVFWFLSA-N	1	0	367.501	1.742	20	30		FDEDRO
COCCNC(=[NH2+])NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1	ZINC000290677106	1000152602	/nfs/dbraw/zinc/15/26/02/1000152602.db2.gz	PRTNHSGJTWPVNV-UHFFFAOYSA-N	1	0	359.430	1.106	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N2CCCNC2=O)cc1	ZINC000291137964	1000170879	/nfs/dbraw/zinc/17/08/79/1000170879.db2.gz	CMBDMEROEIPBOY-KGLIPLIRSA-N	1	0	373.457	1.657	20	30		FDEDRO
C=C[C@@H](CO)NC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1	ZINC000291271117	1000178983	/nfs/dbraw/zinc/17/89/83/1000178983.db2.gz	MZFCPTJVYLTIGA-ZBFHGGJFSA-N	1	0	364.465	1.875	20	30		FDEDRO
C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292316658	1000230408	/nfs/dbraw/zinc/23/04/08/1000230408.db2.gz	VPTLIQFGIAQQSW-OCCSQVGLSA-N	1	0	359.430	1.419	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1Cc2ccc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)cc2C1	ZINC000965863445	1016439263	/nfs/dbraw/zinc/43/92/63/1016439263.db2.gz	CMUMPAQSOAWGRT-PMUMKWKESA-N	1	0	354.454	1.645	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc21	ZINC000927796333	1001054850	/nfs/dbraw/zinc/05/48/50/1001054850.db2.gz	KIUPMJKOLSWYGP-MRXNPFEDSA-N	1	0	357.458	1.993	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CC[C@H]([NH3+])[C@@H](CC)C3)cc21	ZINC000927796841	1001055147	/nfs/dbraw/zinc/05/51/47/1001055147.db2.gz	FSHLFKURGFFAGV-BBRMVZONSA-N	1	0	355.442	1.747	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N[C@H]3CC[NH2+]C34CCC4)cc21	ZINC000927805392	1001065480	/nfs/dbraw/zinc/06/54/80/1001065480.db2.gz	AWUJVVACHVURJK-INIZCTEOSA-N	1	0	353.426	1.562	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)ccc1Cl	ZINC000927845913	1001107417	/nfs/dbraw/zinc/10/74/17/1001107417.db2.gz	AIGNPVNTMBMHPU-PWSUYJOCSA-N	1	0	374.750	1.888	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1C(=O)CNC1=O	ZINC001110934937	1001208181	/nfs/dbraw/zinc/20/81/81/1001208181.db2.gz	RUKRLHPHQWZPJM-FPCVCCKLSA-N	1	0	362.474	1.252	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H](c2ccccc2F)N2CCOCC2)CC1	ZINC000928656151	1001612029	/nfs/dbraw/zinc/61/20/29/1001612029.db2.gz	MVDBWBARJWQXPJ-IBGZPJMESA-N	1	0	359.445	1.413	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@]2(F)CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000928655874	1001612037	/nfs/dbraw/zinc/61/20/37/1001612037.db2.gz	BNXYCHNYKBBEGZ-GOSISDBHSA-N	1	0	353.438	1.549	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CCC(=O)N2Cc2ccc(C)cc2)CC1	ZINC000928656045	1001612047	/nfs/dbraw/zinc/61/20/47/1001612047.db2.gz	IXTCZFRZYLXIFW-LJQANCHMSA-N	1	0	353.466	1.700	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)N2CCN(C)CC2)CC1	ZINC000928658109	1001613258	/nfs/dbraw/zinc/61/32/58/1001613258.db2.gz	LLYWTESILHXOSF-HXUWFJFHSA-N	1	0	354.498	1.189	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)CC1	ZINC000928658352	1001614043	/nfs/dbraw/zinc/61/40/43/1001614043.db2.gz	GNJQOWIKRNXTCV-UHFFFAOYSA-N	1	0	350.422	1.170	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C)CC1	ZINC000928659206	1001614664	/nfs/dbraw/zinc/61/46/64/1001614664.db2.gz	HTKVUAGZSKQPFQ-OAHLLOKOSA-N	1	0	369.531	1.847	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cnc(CNC(=O)OC(C)(C)C)nc2)CC1	ZINC000928660500	1001616010	/nfs/dbraw/zinc/61/60/10/1001616010.db2.gz	PBTCWZBWNVAVLI-UHFFFAOYSA-N	1	0	373.457	1.329	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1nc2ccccc2s1)C1CC[NH+](C)CC1	ZINC000929191471	1001799947	/nfs/dbraw/zinc/79/99/47/1001799947.db2.gz	CWOLWUDJVLHBNN-UHFFFAOYSA-N	1	0	370.478	1.469	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cccc(Cl)c1)C2	ZINC001110965748	1001932091	/nfs/dbraw/zinc/93/20/91/1001932091.db2.gz	GTPFFVVDRZJOEU-PILAGYSTSA-N	1	0	373.884	1.742	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cccc(Cl)c1)C2	ZINC001110965747	1001932501	/nfs/dbraw/zinc/93/25/01/1001932501.db2.gz	GTPFFVVDRZJOEU-LIRZEXBASA-N	1	0	373.884	1.742	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1c(F)cccc1Cl)C1CC[NH+](C)CC1	ZINC000929337623	1001947476	/nfs/dbraw/zinc/94/74/76/1001947476.db2.gz	IOVSAXXKOGIMLE-UHFFFAOYSA-N	1	0	365.836	1.651	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C	ZINC000947969008	1001990255	/nfs/dbraw/zinc/99/02/55/1001990255.db2.gz	YABXIANIPVIVTJ-LZQZEXGQSA-N	1	0	353.466	1.268	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H](C)Cc1ccccc1F)C1CC[NH+](C)CC1	ZINC000929439082	1002058387	/nfs/dbraw/zinc/05/83/87/1002058387.db2.gz	FLQGIYUAJGWVFW-OAHLLOKOSA-N	1	0	359.445	1.429	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)CC1	ZINC000929544187	1002189617	/nfs/dbraw/zinc/18/96/17/1002189617.db2.gz	SDYQIMGTRPJMMB-IBGZPJMESA-N	1	0	356.470	1.506	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccc(OC)c(OCCOC)c2)CC1	ZINC000929563324	1002208220	/nfs/dbraw/zinc/20/82/20/1002208220.db2.gz	XBEBHKGCOIELKM-UHFFFAOYSA-N	1	0	361.442	1.940	20	30		FDEDRO
CN(C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)[C@@H]1CCCN(CC#N)CC1	ZINC000948381496	1002282652	/nfs/dbraw/zinc/28/26/52/1002282652.db2.gz	QAQXKFZDQUQNQR-QRVBRYPASA-N	1	0	362.518	1.570	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC000948458532	1002362654	/nfs/dbraw/zinc/36/26/54/1002362654.db2.gz	UDTKUHJGMWBPQV-XYPHTWIQSA-N	1	0	357.458	1.336	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(NC(=O)NC)c1)C2	ZINC001111277223	1002468916	/nfs/dbraw/zinc/46/89/16/1002468916.db2.gz	HICOEXUBJXXDDL-KURKYZTESA-N	1	0	372.469	1.976	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)cc1	ZINC000929834537	1002503692	/nfs/dbraw/zinc/50/36/92/1002503692.db2.gz	NBSZFRCQWBXKLE-UHFFFAOYSA-N	1	0	363.483	1.352	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2cccc(NC(=O)[C@H](C)OC)c2)CC1	ZINC000929958760	1002656111	/nfs/dbraw/zinc/65/61/11/1002656111.db2.gz	KMWLUHIBSFJJDC-AWEZNQCLSA-N	1	0	358.442	1.879	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncoc1-c1ccon1)C2	ZINC001111282462	1002659803	/nfs/dbraw/zinc/65/98/03/1002659803.db2.gz	QRSMXJWENXPHGM-YUELXQCFSA-N	1	0	358.398	1.867	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CCc2cnn(C)c2)CC1	ZINC000948786510	1002693448	/nfs/dbraw/zinc/69/34/48/1002693448.db2.gz	ZRKFAPGBCVUYCA-QRVBRYPASA-N	1	0	360.502	1.867	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]([C@@H]3CCOC3)C2)CC1	ZINC000930006977	1002729868	/nfs/dbraw/zinc/72/98/68/1002729868.db2.gz	KEJZXOFGEBBPMN-IAGOWNOFSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)Cc2cc(C#N)cs2)CC1	ZINC000930010854	1002734122	/nfs/dbraw/zinc/73/41/22/1002734122.db2.gz	VGRPCZZZWHGWKT-UHFFFAOYSA-N	1	0	360.483	1.735	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CC(=O)N(C)C)CC1	ZINC000948836875	1002745860	/nfs/dbraw/zinc/74/58/60/1002745860.db2.gz	QUQFOUSXGGRBNC-AOIWGVFYSA-N	1	0	365.518	1.759	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H]1CCOc2ccc(F)cc21)C1CC[NH+](C)CC1	ZINC000930090615	1002800436	/nfs/dbraw/zinc/80/04/36/1002800436.db2.gz	CXXNOFMYKKSGRA-KRWDZBQOSA-N	1	0	373.428	1.322	20	30		FDEDRO
C#Cc1ccc(NC(=O)CCN(CCOC)[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000930108449	1002827118	/nfs/dbraw/zinc/82/71/18/1002827118.db2.gz	MKVRIWRQXJYRMN-QGZVFWFLSA-N	1	0	364.467	1.132	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H](c1ncccc1C)C(C)C)C1CC[NH+](C)CC1	ZINC000930128527	1002853786	/nfs/dbraw/zinc/85/37/86/1002853786.db2.gz	FIWMZGCVYOKHTP-GOSISDBHSA-N	1	0	370.497	1.759	20	30		FDEDRO
C=C(C)CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1	ZINC000948959578	1002877317	/nfs/dbraw/zinc/87/73/17/1002877317.db2.gz	ZCOFQAQJSGKYOT-GBESFXJTSA-N	1	0	371.481	1.701	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccc(F)c(-n3nnnc3C)c2)CC1	ZINC000930165576	1002900774	/nfs/dbraw/zinc/90/07/74/1002900774.db2.gz	HBJZEDYZHFRNKS-UHFFFAOYSA-N	1	0	357.393	1.329	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1	ZINC000949008148	1002925416	/nfs/dbraw/zinc/92/54/16/1002925416.db2.gz	OGVLFFLFIAWNSF-KSZLIROESA-N	1	0	363.502	1.274	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1	ZINC000949017721	1002936086	/nfs/dbraw/zinc/93/60/86/1002936086.db2.gz	OSXKDJCXHATAFV-KBRIMQKVSA-N	1	0	357.458	1.336	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCCc1c(C)cccc1C)C1CC[NH+](C)CC1	ZINC000930225043	1002944461	/nfs/dbraw/zinc/94/44/61/1002944461.db2.gz	YASNMHIZGIOEIJ-UHFFFAOYSA-N	1	0	355.482	1.518	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCOC2(CC[NH+](C[C@H](C)OC)CC2)C1	ZINC000949095469	1002985446	/nfs/dbraw/zinc/98/54/46/1002985446.db2.gz	MYGMYKHYVWURMM-KSZLIROESA-N	1	0	366.502	1.696	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1	ZINC000949181513	1003064803	/nfs/dbraw/zinc/06/48/03/1003064803.db2.gz	YGFYVHYYXVVYJH-SJORKVTESA-N	1	0	361.486	1.028	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H]1CCC[C@H](SCC)C1)C1CC[NH+](C)CC1	ZINC000930438588	1003129237	/nfs/dbraw/zinc/12/92/37/1003129237.db2.gz	HEKVTLBEXDYCII-RDJZCZTQSA-N	1	0	365.543	1.723	20	30		FDEDRO
N#Cc1ccc(OC2CC[NH+](C[C@@H](O)C[C@@]3(O)CCOC3)CC2)c(F)c1	ZINC000930464037	1003165544	/nfs/dbraw/zinc/16/55/44/1003165544.db2.gz	GARRTQXWOFXPFQ-KXBFYZLASA-N	1	0	364.417	1.443	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccc(CCS(C)(=O)=O)cc2)CC1	ZINC000930494830	1003205093	/nfs/dbraw/zinc/20/50/93/1003205093.db2.gz	QDWXNCCUOFUDCZ-UHFFFAOYSA-N	1	0	363.483	1.493	20	30		FDEDRO
CC1(C)Oc2ccsc2[C@H]([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)[C@H]1O	ZINC000930547760	1003257636	/nfs/dbraw/zinc/25/76/36/1003257636.db2.gz	WJFBKFXOEMHNDR-DUVNUKRYSA-N	1	0	366.483	1.982	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H](CC)c1c(C)noc1C)C1CC[NH+](C)CC1	ZINC000930596627	1003309067	/nfs/dbraw/zinc/30/90/67/1003309067.db2.gz	CUJJOTULLUHXEK-INIZCTEOSA-N	1	0	360.458	1.415	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC1)C[N@H+](C[C@H](C)OC)CCO2	ZINC000949492386	1003394517	/nfs/dbraw/zinc/39/45/17/1003394517.db2.gz	AAQMJTBHVGNHIH-BZSNNMDCSA-N	1	0	366.502	1.696	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1	ZINC000930726880	1003441638	/nfs/dbraw/zinc/44/16/38/1003441638.db2.gz	YCEMRKTZZKUYSA-UHFFFAOYSA-N	1	0	359.398	1.714	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@]2(CO[C@H](C[N@@H+]3CC[C@](O)(CC#N)C3)C2)C1	ZINC000930818649	1003542416	/nfs/dbraw/zinc/54/24/16/1003542416.db2.gz	KOFFUHIZXURSPC-KFKAGJAMSA-N	1	0	365.474	1.753	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1	ZINC000966371346	1016797881	/nfs/dbraw/zinc/79/78/81/1016797881.db2.gz	YDNKJRBOQHDNEM-XHSDSOJGSA-N	1	0	351.491	1.149	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C[C@H]2C)cn1	ZINC000949838446	1003740808	/nfs/dbraw/zinc/74/08/08/1003740808.db2.gz	ILSNSVDSMGNKIL-LZQZEXGQSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)NC1CCC(C)([NH+]2CCCC2)CC1	ZINC000930993268	1003750386	/nfs/dbraw/zinc/75/03/86/1003750386.db2.gz	YOPWGSNSBXVIEN-UHFFFAOYSA-N	1	0	351.491	1.609	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H](C)C3CCC3)C2)CC1	ZINC000949864719	1003758335	/nfs/dbraw/zinc/75/83/35/1003758335.db2.gz	CHBKJDBPRGGMMO-GPMSIDNRSA-N	1	0	359.514	1.731	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H](C)n3cccc3)C2)CC1	ZINC000949864818	1003758838	/nfs/dbraw/zinc/75/88/38/1003758838.db2.gz	LCEPMEXADLNIHU-ZIFCJYIRSA-N	1	0	370.497	1.357	20	30		FDEDRO
CC(=O)N1CCN(c2cccc(NC(=O)NCC#CC[NH+](C)C)c2)CC1	ZINC000931008913	1003767320	/nfs/dbraw/zinc/76/73/20/1003767320.db2.gz	XZFYZRMUULHFKA-UHFFFAOYSA-N	1	0	357.458	1.042	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@H](c2n[nH]cc2C(=O)OCC)C1	ZINC000931008644	1003767450	/nfs/dbraw/zinc/76/74/50/1003767450.db2.gz	VMQLZYCVBPEIJM-CABCVRRESA-N	1	0	360.458	1.965	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2	ZINC001111297664	1003775495	/nfs/dbraw/zinc/77/54/95/1003775495.db2.gz	OELOBCXTWGYABN-HZMVEIRTSA-N	1	0	350.507	1.131	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2cc(F)c(C(=O)OC)c(F)c2)CC1	ZINC000931303906	1004039094	/nfs/dbraw/zinc/03/90/94/1004039094.db2.gz	WSVHQFXIJMPWRC-UHFFFAOYSA-N	1	0	351.353	1.971	20	30		FDEDRO
COc1c(C)[nH]cc(C[N@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)c1=O	ZINC000931321848	1004054973	/nfs/dbraw/zinc/05/49/73/1004054973.db2.gz	IVGIWJGIGZDLIR-KRWDZBQOSA-N	1	0	371.437	1.630	20	30		FDEDRO
C[N@H+]1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000931392350	1004107520	/nfs/dbraw/zinc/10/75/20/1004107520.db2.gz	WDFFWSWHGNUFGV-BBWFWOEESA-N	1	0	373.526	1.235	20	30		FDEDRO
C[N@H+]1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000931392351	1004107774	/nfs/dbraw/zinc/10/77/74/1004107774.db2.gz	WDFFWSWHGNUFGV-IXDOHACOSA-N	1	0	373.526	1.235	20	30		FDEDRO
Cc1ccc(N(CCC#N)C(=O)CN2CCC(O)(C[NH+](C)C)CC2)cc1C	ZINC000931483824	1004200171	/nfs/dbraw/zinc/20/01/71/1004200171.db2.gz	HSSGKGPEVRCYCK-UHFFFAOYSA-N	1	0	372.513	1.939	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1	ZINC000931592691	1004296537	/nfs/dbraw/zinc/29/65/37/1004296537.db2.gz	OYFOVGBOLCTHBS-UHFFFAOYSA-N	1	0	372.444	1.648	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1	ZINC000931594060	1004297929	/nfs/dbraw/zinc/29/79/29/1004297929.db2.gz	GDFVOCFIJHXLOD-OAHLLOKOSA-N	1	0	358.417	1.258	20	30		FDEDRO
COc1ccccc1C[C@@](C)(CO)[NH2+]C[C@H](O)COc1ccc(C#N)cc1	ZINC000931608494	1004312235	/nfs/dbraw/zinc/31/22/35/1004312235.db2.gz	ZGFOSFSAUYJXGF-RXVVDRJESA-N	1	0	370.449	1.890	20	30		FDEDRO
CC(=O)N1CCN(c2cccc(NC(=O)NCC#CC[NH+](C)C)c2C)C1=O	ZINC000931716343	1004439201	/nfs/dbraw/zinc/43/92/01/1004439201.db2.gz	JYSQOBTVNOWRGM-UHFFFAOYSA-N	1	0	371.441	1.470	20	30		FDEDRO
CC[C@H](CO)[NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2	ZINC000931770415	1004483880	/nfs/dbraw/zinc/48/38/80/1004483880.db2.gz	BZBOCLPIIOQIIM-HUUCEWRRSA-N	1	0	374.485	1.717	20	30		FDEDRO
C[C@]1([C@@H]2CCC[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)COC(=O)N1	ZINC000932016713	1004708111	/nfs/dbraw/zinc/70/81/11/1004708111.db2.gz	GDTCBFYFOGAJEU-MBOZVWFJSA-N	1	0	373.453	1.703	20	30		FDEDRO
C[C@]1([C@@H]2CCC[N@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)COC(=O)N1	ZINC000932031434	1004719814	/nfs/dbraw/zinc/71/98/14/1004719814.db2.gz	OUUGXMQMJQLWBE-JTDSTZFVSA-N	1	0	359.426	1.508	20	30		FDEDRO
CCO[C@@H](CNC(=O)Nc1ccc(Br)c(C#N)n1)C[NH+](C)C	ZINC000932160305	1004800142	/nfs/dbraw/zinc/80/01/42/1004800142.db2.gz	WRFPEPSDHBHAET-JTQLQIEISA-N	1	0	370.251	1.804	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2	ZINC001111031124	1004966464	/nfs/dbraw/zinc/96/64/64/1004966464.db2.gz	PXBVGQJDYLBTCV-VQHPVUNQSA-N	1	0	364.534	1.377	20	30		FDEDRO
C#CC[N@H+](CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)C(C)(C)C	ZINC000932463217	1004971394	/nfs/dbraw/zinc/97/13/94/1004971394.db2.gz	FEUZFILESYKCTQ-UHFFFAOYSA-N	1	0	371.481	1.509	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1C#N	ZINC000932475691	1004978538	/nfs/dbraw/zinc/97/85/38/1004978538.db2.gz	RIMFTCQXYKGRRF-QGZVFWFLSA-N	1	0	354.454	1.427	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1C#N	ZINC000932478300	1004980779	/nfs/dbraw/zinc/98/07/79/1004980779.db2.gz	HFQWUKXWIIOUPS-WMZOPIPTSA-N	1	0	354.454	1.426	20	30		FDEDRO
COc1ncc(NC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1C#N	ZINC000932519596	1004998527	/nfs/dbraw/zinc/99/85/27/1004998527.db2.gz	BDIBJIUYJSWWFQ-MRXNPFEDSA-N	1	0	358.446	1.206	20	30		FDEDRO
COC(=O)c1cnc([C@H]2CC[N@H+](CCC(=O)N(C)CCC#N)C2)s1	ZINC000932665127	1005078721	/nfs/dbraw/zinc/07/87/21/1005078721.db2.gz	AJNWGQVQKKDLOY-LBPRGKRZSA-N	1	0	350.444	1.481	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NC1CCC(C)([NH+]2CCC2)CC1	ZINC000932682159	1005092859	/nfs/dbraw/zinc/09/28/59/1005092859.db2.gz	PFQLWESQDKJXHD-UHFFFAOYSA-N	1	0	358.280	1.534	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1	ZINC000932716890	1005120966	/nfs/dbraw/zinc/12/09/66/1005120966.db2.gz	OUGQOTQPAVHQQT-JHJVBQTASA-N	1	0	354.451	1.232	20	30		FDEDRO
N#CC[C@@H](NC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)C(F)(F)F	ZINC000932900176	1005235355	/nfs/dbraw/zinc/23/53/55/1005235355.db2.gz	RYADPNYTSAVDFI-HUUCEWRRSA-N	1	0	370.375	1.549	20	30		FDEDRO
CC(C)C[C@@H]1C[N@H+](C)CCN1CC#CCN1C(=O)c2ccccc2C1=O	ZINC000933251846	1005526033	/nfs/dbraw/zinc/52/60/33/1005526033.db2.gz	KHLPARBZXAVIEW-QGZVFWFLSA-N	1	0	353.466	1.948	20	30		FDEDRO
C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCO[C@@](C)(C#N)C1	ZINC000933601779	1005587839	/nfs/dbraw/zinc/58/78/39/1005587839.db2.gz	PYPNVRVPGXQGPX-UWJYYQICSA-N	1	0	370.497	1.770	20	30		FDEDRO
COc1ccccc1COC[C@H](O)C[NH+]1CCC2(CC1)CC(=O)C=CO2	ZINC000933653558	1005599834	/nfs/dbraw/zinc/59/98/34/1005599834.db2.gz	FYUKRNWQIWBQEF-GOSISDBHSA-N	1	0	361.438	1.910	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1	ZINC000933757932	1005630714	/nfs/dbraw/zinc/63/07/14/1005630714.db2.gz	WLACTRZQMIYBBQ-FTRWYGJKSA-N	1	0	354.454	1.909	20	30		FDEDRO
C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)CC[NH+](C)CC1	ZINC000933839209	1005645282	/nfs/dbraw/zinc/64/52/82/1005645282.db2.gz	USWMQRKPPZJLRV-OAHLLOKOSA-N	1	0	369.506	1.809	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCC(F)(F)CC1)C2	ZINC001111063158	1005652165	/nfs/dbraw/zinc/65/21/65/1005652165.db2.gz	BDMWLUNSGLUVEP-MIGQKNRLSA-N	1	0	367.440	1.671	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCOC34CCOCC4)C2=O)cc1	ZINC000934404373	1005740928	/nfs/dbraw/zinc/74/09/28/1005740928.db2.gz	RFTVSUGRONNTJM-ROUUACIJSA-N	1	0	355.438	1.981	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nn(C)c(C)c1Cl)C2	ZINC001111073662	1005741176	/nfs/dbraw/zinc/74/11/76/1005741176.db2.gz	QRMWKLAJTGAFKP-MCIONIFRSA-N	1	0	352.866	1.920	20	30		FDEDRO
CN(C)[S@](C)(=O)=NCC1CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1	ZINC000934746601	1005790733	/nfs/dbraw/zinc/79/07/33/1005790733.db2.gz	FZZQVEBGSJBXMF-VOIUYBSRSA-N	1	0	356.536	1.718	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(CN=[S@](C)(=O)N(C)C)CC1	ZINC000934749262	1005791310	/nfs/dbraw/zinc/79/13/10/1005791310.db2.gz	CVHGWZCBXDXVOE-LMKMVOKYSA-N	1	0	370.563	1.862	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)nc1	ZINC000934834688	1005806859	/nfs/dbraw/zinc/80/68/59/1005806859.db2.gz	RIKFMTUIYLCMQU-SJORKVTESA-N	1	0	363.483	1.866	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](OCC)C2CC2)nn1	ZINC001111112519	1006227808	/nfs/dbraw/zinc/22/78/08/1006227808.db2.gz	RHABZJQBLMNNGN-XYVMCAHJSA-N	1	0	359.474	1.614	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CCN(c3nc(C)ccc3C#N)C2)CC[N@@H+]1C	ZINC001111141771	1006414999	/nfs/dbraw/zinc/41/49/99/1006414999.db2.gz	JCXTVFUOCBKGIO-SQGPQFPESA-N	1	0	371.485	1.049	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2	ZINC001111145658	1006443936	/nfs/dbraw/zinc/44/39/36/1006443936.db2.gz	QHYUTLIDACYDLP-QRVBRYPASA-N	1	0	370.497	1.386	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2	ZINC001111162757	1006546224	/nfs/dbraw/zinc/54/62/24/1006546224.db2.gz	JADVLCSCPTVPFE-VXIBKDFQSA-N	1	0	364.534	1.377	20	30		FDEDRO
C[C@@H]1CCCC[C@@H]1OCCNC(=O)CON=C(N)C[N@@H+]1CCCC[C@H]1C	ZINC000246215884	1006560585	/nfs/dbraw/zinc/56/05/85/1006560585.db2.gz	GLTJDUOQNLHKBN-ZACQAIPSSA-N	1	0	368.522	1.861	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CN(C(=O)C2CC[NH+](C)CC2)C1	ZINC000954380997	1006652088	/nfs/dbraw/zinc/65/20/88/1006652088.db2.gz	RMYOLSQDGOEHFF-ROUUACIJSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1	ZINC000954381055	1006652235	/nfs/dbraw/zinc/65/22/35/1006652235.db2.gz	SJZHLUYXXKYJTD-IEZWGBDMSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=CCn1c(C)cc(C(=O)Cn2cc(Cn3cc(C[NH3+])cn3)nn2)c1C	ZINC000640800517	1006654810	/nfs/dbraw/zinc/65/48/10/1006654810.db2.gz	QKYXILAPRMTGQS-UHFFFAOYSA-N	1	0	353.430	1.469	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C1	ZINC000954394978	1006694229	/nfs/dbraw/zinc/69/42/29/1006694229.db2.gz	WFARCDQDCVVOCP-KSZLIROESA-N	1	0	363.502	1.511	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC(N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)c1	ZINC000954412395	1006749983	/nfs/dbraw/zinc/74/99/83/1006749983.db2.gz	HDNUIDZWDHDRER-ZWKOTPCHSA-N	1	0	354.454	1.076	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000778752579	1006752595	/nfs/dbraw/zinc/75/25/95/1006752595.db2.gz	QZDBLMXJCYBVRE-CQSZACIVSA-N	1	0	350.463	1.738	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COc1ccccc1	ZINC001111487458	1006991066	/nfs/dbraw/zinc/99/10/66/1006991066.db2.gz	QHEWSEFJHOAODS-LFGUQSLTSA-N	1	0	374.481	1.741	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1	ZINC000954772191	1007014812	/nfs/dbraw/zinc/01/48/12/1007014812.db2.gz	KEYUJSGVFRMEBE-SQNIBIBYSA-N	1	0	365.518	1.613	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(Cn3cccn3)on1)C2	ZINC001111244644	1007069224	/nfs/dbraw/zinc/06/92/24/1007069224.db2.gz	MTLWBCRURPGNBS-KYJSFNMBSA-N	1	0	371.441	1.457	20	30		FDEDRO
O=C(C#CC1CC1)N[C@]12CCC[C@H]1C[N@H+](C[C@H]1CCCS(=O)(=O)C1)C2	ZINC001111740497	1007085434	/nfs/dbraw/zinc/08/54/34/1007085434.db2.gz	ACOBEAHWURKWQZ-AOIWGVFYSA-N	1	0	364.511	1.195	20	30		FDEDRO
N#Cc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc4nnnn4c2)C3)c1	ZINC001095757237	1007255295	/nfs/dbraw/zinc/25/52/95/1007255295.db2.gz	XNWNRSPZPKKRPG-SQNIBIBYSA-N	1	0	373.420	1.531	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCCCS1(=O)=O)C2	ZINC001095769220	1007316087	/nfs/dbraw/zinc/31/60/87/1007316087.db2.gz	CCEABNHCHOUMAT-PMPSAXMXSA-N	1	0	355.504	1.100	20	30		FDEDRO
Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)ncc1=O	ZINC001095781866	1007381348	/nfs/dbraw/zinc/38/13/48/1007381348.db2.gz	ADWGAIAHRQITBO-RYRKJORJSA-N	1	0	363.421	1.187	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC000956977223	1007434112	/nfs/dbraw/zinc/43/41/12/1007434112.db2.gz	ALGJTHYTUPRWTP-XWIAVFTESA-N	1	0	369.469	1.337	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2C)cn1	ZINC000956989633	1007455442	/nfs/dbraw/zinc/45/54/42/1007455442.db2.gz	CPCQAGDINAUSDA-CRAIPNDOSA-N	1	0	366.465	1.268	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@](C)(NC(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000957003885	1007490937	/nfs/dbraw/zinc/49/09/37/1007490937.db2.gz	FBLXJQNNEDJAHD-WAOWUJCRSA-N	1	0	357.498	1.485	20	30		FDEDRO
N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCS(=O)(=O)N1CCOCC1	ZINC000795799433	1008233871	/nfs/dbraw/zinc/23/38/71/1008233871.db2.gz	DENXYMLZFOLXSU-SFHVURJKSA-N	1	0	363.483	1.577	20	30		FDEDRO
C=CCn1cc(C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)nn1	ZINC000648802409	1008634949	/nfs/dbraw/zinc/63/49/49/1008634949.db2.gz	NYWWKLLYCNKGIP-UHFFFAOYSA-N	1	0	370.457	1.343	20	30		FDEDRO
CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(Cc2ccc(OCC#N)cc2)C1	ZINC000950357045	1009063937	/nfs/dbraw/zinc/06/39/37/1009063937.db2.gz	HWKCMWOGVPCQOV-OXQOHEQNSA-N	1	0	370.497	1.962	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000950518120	1009252333	/nfs/dbraw/zinc/25/23/33/1009252333.db2.gz	WZOWCZHVCCFDDC-BHYGNILZSA-N	1	0	357.458	1.337	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c(C)oc(C)c2C)C1	ZINC000950648572	1009468926	/nfs/dbraw/zinc/46/89/26/1009468926.db2.gz	RDDVZIJDULHBEL-XWIAVFTESA-N	1	0	371.481	1.879	20	30		FDEDRO
N#Cc1ccccc1C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[C@@H](C(N)=O)C1	ZINC000960130175	1009559988	/nfs/dbraw/zinc/55/99/88/1009559988.db2.gz	GSHLQRIWHKUPPT-GJYPPUQNSA-N	1	0	368.481	1.931	20	30		FDEDRO
CCc1ccc([C@@H](CNC(NCCN2CCOCC2)=[NH+]C)N(C)C)cc1	ZINC000303777068	1009576028	/nfs/dbraw/zinc/57/60/28/1009576028.db2.gz	INLMXENBCCQDNO-LJQANCHMSA-N	1	0	361.534	1.349	20	30		FDEDRO
CCc1ccc([C@H](CNC(NCCN2CCOCC2)=[NH+]C)N(C)C)cc1	ZINC000303777067	1009576241	/nfs/dbraw/zinc/57/62/41/1009576241.db2.gz	INLMXENBCCQDNO-IBGZPJMESA-N	1	0	361.534	1.349	20	30		FDEDRO
N#Cc1cnc(NC2CC[NH+](CCNC(=O)[C@@H]3C[C@H]3C3CCC3)CC2)cn1	ZINC001111323429	1009610407	/nfs/dbraw/zinc/61/04/07/1009610407.db2.gz	AYMAHJIBVJDTRJ-ZWKOTPCHSA-N	1	0	368.485	1.777	20	30		FDEDRO
N#Cc1ccc(NC2CC[NH+](CCNC(=O)[C@@H]3C[C@H]3C3CC3)CC2)nn1	ZINC001111323523	1009611667	/nfs/dbraw/zinc/61/16/67/1009611667.db2.gz	HALOCVAWQZOOFM-DLBZAZTESA-N	1	0	354.458	1.387	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCNC(=O)CC2)C3)c1	ZINC001095818272	1009905513	/nfs/dbraw/zinc/90/55/13/1009905513.db2.gz	RXYITHZYYVCZJQ-YRXWBPOGSA-N	1	0	366.465	1.696	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C	ZINC000950874825	1009976009	/nfs/dbraw/zinc/97/60/09/1009976009.db2.gz	VGVLEGWTISFJRW-JQHSSLGASA-N	1	0	368.437	1.565	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@H]3C2)C1	ZINC000960458973	1010221927	/nfs/dbraw/zinc/22/19/27/1010221927.db2.gz	MNNDAVSNICEFLS-WCXIOVBPSA-N	1	0	361.486	1.121	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c1	ZINC000648181246	1010295955	/nfs/dbraw/zinc/29/59/55/1010295955.db2.gz	DLHABHOBMUNBCW-OAHLLOKOSA-N	1	0	363.483	1.555	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](NC(=O)C[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000951079071	1010428726	/nfs/dbraw/zinc/42/87/26/1010428726.db2.gz	PSGRIBXXKNTLBQ-ZCNNSNEGSA-N	1	0	371.525	1.875	20	30		FDEDRO
C=CCn1cc(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)nn1	ZINC000648345840	1010448017	/nfs/dbraw/zinc/44/80/17/1010448017.db2.gz	OCEGTOSCNNKENJ-UHFFFAOYSA-N	1	0	369.469	1.911	20	30		FDEDRO
C=CCn1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)nn1	ZINC000648351376	1010450841	/nfs/dbraw/zinc/45/08/41/1010450841.db2.gz	UTJIPEPVRJUHPB-MOPGFXCFSA-N	1	0	374.533	1.873	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cccc(C#N)c1	ZINC000960686688	1010604001	/nfs/dbraw/zinc/60/40/01/1010604001.db2.gz	YLKHJKUEWDNFEH-IPELMVKDSA-N	1	0	357.454	1.785	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC000951494887	1010883776	/nfs/dbraw/zinc/88/37/76/1010883776.db2.gz	RPMOXVUVJGZXJN-ZTFGCOKTSA-N	1	0	354.454	1.124	20	30		FDEDRO
CC(C)(C)C(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1	ZINC001111396244	1011114357	/nfs/dbraw/zinc/11/43/57/1011114357.db2.gz	MJPBADLXFRVCNT-KURKYZTESA-N	1	0	368.481	1.942	20	30		FDEDRO
C=C1CCC(C(=O)N2CCO[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@@H]32)CC1	ZINC000960894376	1011639457	/nfs/dbraw/zinc/63/94/57/1011639457.db2.gz	PTNRQKPRAMLUTM-FGTMMUONSA-N	1	0	361.486	1.265	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@H]3[C@H]2CCCN3C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC000962876753	1011657570	/nfs/dbraw/zinc/65/75/70/1011657570.db2.gz	MTQZXGHILUNMRS-UWIFEVILSA-N	1	0	369.469	1.432	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@H]3[C@@H]2CCCN3C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC000962953083	1011707463	/nfs/dbraw/zinc/70/74/63/1011707463.db2.gz	DWGLNFAMHSSULL-ZSGPHXLJSA-N	1	0	369.469	1.432	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3C(=O)C#CC2CC2)CC[N@@H+]1C	ZINC000963160168	1011941801	/nfs/dbraw/zinc/94/18/01/1011941801.db2.gz	YRIIZVQPYJUATH-RDGPPVDQSA-N	1	0	357.498	1.722	20	30		FDEDRO
CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)CC2)C1	ZINC000961376466	1012305042	/nfs/dbraw/zinc/30/50/42/1012305042.db2.gz	ZMWPKSZCRZTXIV-NZSAHSFTSA-N	1	0	359.514	1.875	20	30		FDEDRO
CCc1nc(C#N)cc(N2CCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1	ZINC001066797793	1012442091	/nfs/dbraw/zinc/44/20/91/1012442091.db2.gz	LCLSJDLIHBZAIY-BFYDXBDKSA-N	1	0	370.501	1.726	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1	ZINC000963750107	1012629174	/nfs/dbraw/zinc/62/91/74/1012629174.db2.gz	QPOKSODEOPOSLW-MLHJIOFPSA-N	1	0	361.486	1.123	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)CC2)CC[N@@H+]1C	ZINC000963961515	1013013064	/nfs/dbraw/zinc/01/30/64/1013013064.db2.gz	JTIXFMHPFKSNKN-KCYZZUKISA-N	1	0	371.485	1.631	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)cc1	ZINC000796508404	1017178923	/nfs/dbraw/zinc/17/89/23/1017178923.db2.gz	ATLCDHFCQFKRIC-HOCLYGCPSA-N	1	0	351.472	1.881	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21	ZINC000190952142	178032511	/nfs/dbraw/zinc/03/25/11/178032511.db2.gz	WAIRJMSNTSFZRL-DOTOQJQBSA-N	1	0	370.453	1.838	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(C(=O)C[NH+](CC)CC)CC1	ZINC000507762013	538922970	/nfs/dbraw/zinc/92/29/70/538922970.db2.gz	ZNRMQIGRNIIASD-KRWDZBQOSA-N	1	0	352.523	1.286	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1	ZINC000192981428	178141693	/nfs/dbraw/zinc/14/16/93/178141693.db2.gz	VBJXIBXVIXDRHS-MRXNPFEDSA-N	1	0	356.451	1.754	20	30		FDEDRO
C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3cc(C#N)ccc3OC(F)F)C[C@H]2C1	ZINC000194922311	178230124	/nfs/dbraw/zinc/23/01/24/178230124.db2.gz	ASQNUBDSDDDZDT-TXEJJXNPSA-N	1	0	364.352	1.118	20	30		FDEDRO
C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1ccc(C#N)cc1F	ZINC000512646831	538978714	/nfs/dbraw/zinc/97/87/14/538978714.db2.gz	DMSGHRZVOBOCRJ-NSHDSACASA-N	1	0	352.391	1.456	20	30		FDEDRO
N#Cc1csc(C[NH2+]C[C@H]2CCCN(c3nccn4cnnc34)C2)n1	ZINC000514892981	539021335	/nfs/dbraw/zinc/02/13/35/539021335.db2.gz	KNBXHCRGDCDGNM-GFCCVEGCSA-N	1	0	354.443	1.459	20	30		FDEDRO
CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H]3CCN(c4sccc4C#N)C3=O)[C@@H]2C1	ZINC000520884179	539511509	/nfs/dbraw/zinc/51/15/09/539511509.db2.gz	MYOLLMAAIHPUNC-VVLHAWIVSA-N	1	0	372.494	1.962	20	30		FDEDRO
C[C@]1(CNS(=O)(=O)c2ccc(C#N)c(Br)c2)CCC[NH2+]C1	ZINC000522001234	539529053	/nfs/dbraw/zinc/52/90/53/539529053.db2.gz	GKMGPBNRKPWTEH-AWEZNQCLSA-N	1	0	372.288	1.989	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(c2cccc(C#N)n2)CC1)[N@@H+]1CCC[C@@H](C)C1	ZINC000546882648	542249918	/nfs/dbraw/zinc/24/99/18/542249918.db2.gz	KYZMRXRUNQXYPZ-IAGOWNOFSA-N	1	0	370.501	1.905	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(C)C)c1	ZINC000528047435	539728167	/nfs/dbraw/zinc/72/81/67/539728167.db2.gz	LAEGTVBCCWZJAJ-MRXNPFEDSA-N	1	0	351.472	1.221	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)CN1CCC(CO)([NH2+]CC2CC2)CC1	ZINC000528515700	539765163	/nfs/dbraw/zinc/76/51/63/539765163.db2.gz	ITFZOBJUWXLVRC-GOSISDBHSA-N	1	0	359.470	1.124	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1	ZINC000528507604	539763202	/nfs/dbraw/zinc/76/32/02/539763202.db2.gz	OEGBBDSABVJVFQ-RRFJBIMHSA-N	1	0	358.360	1.791	20	30		FDEDRO
COCCN(CC[NH+](C)C)C(=O)CCCC(=O)Nc1ccccc1C#N	ZINC000269261791	180257052	/nfs/dbraw/zinc/25/70/52/180257052.db2.gz	BITRFSOUNGNKKQ-UHFFFAOYSA-N	1	0	360.458	1.704	20	30		FDEDRO
C[C@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)CCN1c1nccn2cnnc12	ZINC000269401563	180294450	/nfs/dbraw/zinc/29/44/50/180294450.db2.gz	ZBBGSIGXYJIYRW-YOEHRIQHSA-N	1	0	363.425	1.240	20	30		FDEDRO
CN1C(=O)c2ccccc2[C@@H]1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000530244609	539920894	/nfs/dbraw/zinc/92/08/94/539920894.db2.gz	OJENOPIHJCHLAZ-INIZCTEOSA-N	1	0	370.434	1.143	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)N[C@H](C)C3=CC[N@H+](C)CC3)CC2)c1C#N	ZINC000530514311	539989963	/nfs/dbraw/zinc/98/99/63/539989963.db2.gz	VUCCHYZPVJQVBW-CQSZACIVSA-N	1	0	371.489	1.082	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)CC2)c1C#N	ZINC000530522121	539991907	/nfs/dbraw/zinc/99/19/07/539991907.db2.gz	JOORGBGKAXBAFC-SFHVURJKSA-N	1	0	370.501	1.656	20	30		FDEDRO
CCOC(=O)Nc1ccc(NC(=O)NCC[N@H+](CC)CCO)cc1C#N	ZINC000274434553	181093261	/nfs/dbraw/zinc/09/32/61/181093261.db2.gz	RAXJXGCYMKAXQK-UHFFFAOYSA-N	1	0	363.418	1.562	20	30		FDEDRO
COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC#Cc1ccccc1	ZINC000530683982	540021443	/nfs/dbraw/zinc/02/14/43/540021443.db2.gz	SIWFXJCXBPTYHW-UHFFFAOYSA-N	1	0	365.433	1.863	20	30		FDEDRO
C[NH+](C)CCOC1CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1	ZINC000530855859	540055682	/nfs/dbraw/zinc/05/56/82/540055682.db2.gz	JCWAPYUDFNCHLH-UHFFFAOYSA-N	1	0	355.435	1.429	20	30		FDEDRO
C=C(Cl)CNCc1ccc(OCC(=O)N2CCOCC2)c(OC)c1	ZINC000268694041	674096032	/nfs/dbraw/zinc/09/60/32/674096032.db2.gz	SEUVMPRSYJAZPO-UHFFFAOYSA-N	1	0	354.834	1.775	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1	ZINC000275099737	181237910	/nfs/dbraw/zinc/23/79/10/181237910.db2.gz	KHLUSPLJIQCEFU-ZDUSSCGKSA-N	1	0	371.359	1.946	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)n(CCC#N)n1	ZINC000533318554	540231571	/nfs/dbraw/zinc/23/15/71/540231571.db2.gz	QPVFZHGUQSOCCC-IFXJQAMLSA-N	1	0	374.489	1.670	20	30		FDEDRO
Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]CC(=O)Nc1cccc(C#N)c1	ZINC000275275840	181277215	/nfs/dbraw/zinc/27/72/15/181277215.db2.gz	JYVGYXUCZAHAAR-LPHOPBHVSA-N	1	0	353.426	1.967	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)CN1CCC([N@@H+](C)C[C@@H](C)O)CC1	ZINC000533411904	540243488	/nfs/dbraw/zinc/24/34/88/540243488.db2.gz	CQAICVXZAJUIPC-XLIONFOSSA-N	1	0	362.514	1.932	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1	ZINC000533778098	540286006	/nfs/dbraw/zinc/28/60/06/540286006.db2.gz	KFBVNDAYEZBICT-CQSZACIVSA-N	1	0	354.410	1.688	20	30		FDEDRO
C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000534316383	540352788	/nfs/dbraw/zinc/35/27/88/540352788.db2.gz	XGZDOYSOBSGBTE-NSHDSACASA-N	1	0	351.414	1.876	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C	ZINC000537168951	540695112	/nfs/dbraw/zinc/69/51/12/540695112.db2.gz	AXDABKDHLIAMLI-OAHLLOKOSA-N	1	0	360.458	1.319	20	30		FDEDRO
COC[C@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1	ZINC000537248998	540706272	/nfs/dbraw/zinc/70/62/72/540706272.db2.gz	NYEFEPQEFJXAFQ-HOTGVXAUSA-N	1	0	362.499	1.425	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)C[C@@H]1[NH+]1CCCC1	ZINC000275433310	181316896	/nfs/dbraw/zinc/31/68/96/181316896.db2.gz	FMTVLRWONOSOHM-LSDHHAIUSA-N	1	0	369.487	1.898	20	30		FDEDRO
CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cccc(OCCCC#N)c1	ZINC000538763689	540889401	/nfs/dbraw/zinc/88/94/01/540889401.db2.gz	QSERAFLGJXAGBK-MRXNPFEDSA-N	1	0	351.472	1.883	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@H]2CC(=O)N(c3c(F)cccc3F)C2)CC1	ZINC000538840239	540899485	/nfs/dbraw/zinc/89/94/85/540899485.db2.gz	ZZHQAYUKLDZJHK-LBPRGKRZSA-N	1	0	362.380	1.422	20	30		FDEDRO
C=CC[C@@H](CO)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000539297461	540943888	/nfs/dbraw/zinc/94/38/88/540943888.db2.gz	DHQKOODDCBSIDU-JKSUJKDBSA-N	1	0	368.499	1.543	20	30		FDEDRO
N#Cc1cc(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)c[nH]1	ZINC000539811636	540996665	/nfs/dbraw/zinc/99/66/65/540996665.db2.gz	RLFIXKCWLXYURL-UHFFFAOYSA-N	1	0	353.430	1.009	20	30		FDEDRO
C=CC[C@H](CO)C[NH2+][C@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000540396119	541054103	/nfs/dbraw/zinc/05/41/03/541054103.db2.gz	BABWGOUZGKWGSZ-CVEARBPZSA-N	1	0	368.499	1.543	20	30		FDEDRO
C[N@H+]1CC=C(CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1	ZINC000540535970	541072159	/nfs/dbraw/zinc/07/21/59/541072159.db2.gz	MUDGIHOCRBTAML-UHFFFAOYSA-N	1	0	361.467	1.756	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1	ZINC000540719907	541091938	/nfs/dbraw/zinc/09/19/38/541091938.db2.gz	KZCPBQKENCNOLJ-UHFFFAOYSA-N	1	0	360.458	1.263	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000540980070	541129587	/nfs/dbraw/zinc/12/95/87/541129587.db2.gz	YKOGXYDDKGCGOZ-UHFFFAOYSA-N	1	0	374.420	1.973	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)ccc1F	ZINC000269240360	674107750	/nfs/dbraw/zinc/10/77/50/674107750.db2.gz	XJXSHYQCDCQLGT-OCCSQVGLSA-N	1	0	369.462	1.408	20	30		FDEDRO
Cc1onc(CC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)c1C#N	ZINC000542786223	541471253	/nfs/dbraw/zinc/47/12/53/541471253.db2.gz	MYZWJTIPAJFPRH-UHFFFAOYSA-N	1	0	368.441	1.961	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc3c(c2)C(=O)NCC3)CC1	ZINC000543475285	541596500	/nfs/dbraw/zinc/59/65/00/541596500.db2.gz	UHAHAZVUNXUFIK-UHFFFAOYSA-N	1	0	356.470	1.812	20	30		FDEDRO
N#Cc1cccc(-n2ccc(C(=O)N3CC[NH+](C4CCOCC4)CC3)n2)c1	ZINC000282641591	182036215	/nfs/dbraw/zinc/03/62/15/182036215.db2.gz	OSXPUORNQKBTNA-UHFFFAOYSA-N	1	0	365.437	1.681	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N1CCN(C2CC2)CC1	ZINC000283619538	182231188	/nfs/dbraw/zinc/23/11/88/182231188.db2.gz	VUKGCARBXRMGOM-UHFFFAOYSA-N	1	0	370.272	1.789	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C	ZINC000283848797	182292006	/nfs/dbraw/zinc/29/20/06/182292006.db2.gz	FPGMXTULZVKAPX-IBGZPJMESA-N	1	0	364.449	1.936	20	30		FDEDRO
CCN(CC)C(=O)C1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000109438764	206058009	/nfs/dbraw/zinc/05/80/09/206058009.db2.gz	OXZOBXVSDXBNPU-GOSISDBHSA-N	1	0	359.470	1.878	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c1	ZINC000284036531	182345708	/nfs/dbraw/zinc/34/57/08/182345708.db2.gz	PDVINZLIOMOOJT-GOSISDBHSA-N	1	0	354.454	1.651	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](C)C1	ZINC000284142225	182377618	/nfs/dbraw/zinc/37/76/18/182377618.db2.gz	WRJAHAPGGNPHHQ-OAGGEKHMSA-N	1	0	356.470	1.972	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000545905367	542046084	/nfs/dbraw/zinc/04/60/84/542046084.db2.gz	FNYGSJUCMONUGJ-MRXNPFEDSA-N	1	0	363.425	1.925	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C	ZINC000546003512	542072449	/nfs/dbraw/zinc/07/24/49/542072449.db2.gz	RFMSETYPCRUJHW-MRXNPFEDSA-N	1	0	360.458	1.988	20	30		FDEDRO
COC(=O)c1cncc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1	ZINC000546072656	542089936	/nfs/dbraw/zinc/08/99/36/542089936.db2.gz	IVVDJQHZIDTBSZ-UHFFFAOYSA-N	1	0	366.421	1.944	20	30		FDEDRO
C[NH+]1CCC(CCNC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1	ZINC000546186803	542118990	/nfs/dbraw/zinc/11/89/90/542118990.db2.gz	DVFKQSVNCMTHQJ-UHFFFAOYSA-N	1	0	356.474	1.517	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1	ZINC000286693179	183129580	/nfs/dbraw/zinc/12/95/80/183129580.db2.gz	VZUANQYHGIPCKS-SQWLQELKSA-N	1	0	358.360	1.791	20	30		FDEDRO
CC[N@H+](CCO)CCNC(=O)Nc1ccc(C#N)c(Br)c1	ZINC000287056705	183203860	/nfs/dbraw/zinc/20/38/60/183203860.db2.gz	ALPJWHSYRYTGJE-UHFFFAOYSA-N	1	0	355.236	1.756	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1	ZINC000287474385	183301015	/nfs/dbraw/zinc/30/10/15/183301015.db2.gz	SPKHPJWGQUDHLX-HNNXBMFYSA-N	1	0	358.446	1.655	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@@H](C(=O)N4CCCC4)C3)C2=O)cc1	ZINC000287558446	183323398	/nfs/dbraw/zinc/32/33/98/183323398.db2.gz	WTTCXRPEEFBIFX-IEBWSBKVSA-N	1	0	366.465	1.998	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CCCOCC1	ZINC000288653491	183533563	/nfs/dbraw/zinc/53/35/63/183533563.db2.gz	OKTPINHERQZTRZ-GOSISDBHSA-N	1	0	372.469	1.134	20	30		FDEDRO
COC(=O)C1CC[NH+](CCCNC(=O)c2cc(C#N)cc(N(C)C)c2)CC1	ZINC000292803397	183940192	/nfs/dbraw/zinc/94/01/92/183940192.db2.gz	YVPDPUCEAAYVOQ-UHFFFAOYSA-N	1	0	372.469	1.629	20	30		FDEDRO
C[C@@H]1CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@H](C)[N@H+]1C	ZINC000296850463	184207173	/nfs/dbraw/zinc/20/71/73/184207173.db2.gz	MEQOEUJBRGRBEM-DAYGRLMNSA-N	1	0	369.469	1.393	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1	ZINC000297805183	184332445	/nfs/dbraw/zinc/33/24/45/184332445.db2.gz	MHRTYTUGXIZDSI-LJQANCHMSA-N	1	0	368.481	1.994	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000171979032	258270686	/nfs/dbraw/zinc/27/06/86/258270686.db2.gz	NZUGFSGLXDFIMQ-QGZVFWFLSA-N	1	0	370.453	1.376	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@](CO)(C(C)C)C2)CC1	ZINC000550433972	543100864	/nfs/dbraw/zinc/10/08/64/543100864.db2.gz	ZWURSAQVFUPZHH-QUCCMNQESA-N	1	0	364.534	1.409	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1	ZINC000552144590	543424813	/nfs/dbraw/zinc/42/48/13/543424813.db2.gz	NRSAORDXOZHVNG-JKSUJKDBSA-N	1	0	363.483	1.460	20	30		FDEDRO
N#Cc1cc(F)cc(C2(C(=O)N3CC[C@@H](C[NH+]4CCOCC4)C3)CC2)c1	ZINC000552254603	543443452	/nfs/dbraw/zinc/44/34/52/543443452.db2.gz	MWQRVMVZGSDOLT-HNNXBMFYSA-N	1	0	357.429	1.910	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000552192657	543435477	/nfs/dbraw/zinc/43/54/77/543435477.db2.gz	BPJTUINDNAZEPC-KRWDZBQOSA-N	1	0	361.511	1.755	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CCCC)CC1	ZINC000552851828	543526874	/nfs/dbraw/zinc/52/68/74/543526874.db2.gz	UKFNUILWMVDKFA-WBVHZDCISA-N	1	0	351.491	1.465	20	30		FDEDRO
Cc1oc(NC(=O)CN2CCC[C@H](C[NH+]3CCOCC3)C2)c(C#N)c1C	ZINC000069859229	172034331	/nfs/dbraw/zinc/03/43/31/172034331.db2.gz	KVIRVGGOWGDJLM-MRXNPFEDSA-N	1	0	360.458	1.751	20	30		FDEDRO
N#Cc1ccc(OCCC[N@H+]2CCCN(CC(=O)N3CCCC3)CC2)cc1	ZINC000076610011	172113385	/nfs/dbraw/zinc/11/33/85/172113385.db2.gz	NNTYRGFGWOLEOH-UHFFFAOYSA-N	1	0	370.497	1.957	20	30		FDEDRO
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC(C[NH+]2CCOCC2)CC1	ZINC000083170530	172202461	/nfs/dbraw/zinc/20/24/61/172202461.db2.gz	AGVMLVMZTAERLM-LJQANCHMSA-N	1	0	357.454	1.817	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N1CCC(C(=O)NCC[NH+](C)C)CC1	ZINC000083170071	172202730	/nfs/dbraw/zinc/20/27/30/172202730.db2.gz	QFWXUDWWSYGHFH-SFHVURJKSA-N	1	0	372.469	1.162	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1	ZINC000125604139	173011510	/nfs/dbraw/zinc/01/15/10/173011510.db2.gz	KRHUIROGBHPWHS-UHFFFAOYSA-N	1	0	370.453	1.376	20	30		FDEDRO
CC[NH+]1CCN(CCCNC(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1	ZINC000133391209	173263537	/nfs/dbraw/zinc/26/35/37/173263537.db2.gz	PKMLBWNKNCIFFT-UHFFFAOYSA-N	1	0	358.486	1.859	20	30		FDEDRO
CC(=O)N1CC[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1	ZINC000134202372	173320672	/nfs/dbraw/zinc/32/06/72/173320672.db2.gz	MFJZNDCXNJQWEM-IBGZPJMESA-N	1	0	369.469	1.396	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000136949032	173366867	/nfs/dbraw/zinc/36/68/67/173366867.db2.gz	AABMQLCNJXNQJZ-CVEARBPZSA-N	1	0	357.454	1.943	20	30		FDEDRO
CC(C)[NH+](CCNC(=O)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1)C(C)C	ZINC000175358498	174001581	/nfs/dbraw/zinc/00/15/81/174001581.db2.gz	PMMUPUYTKDEOEM-UHFFFAOYSA-N	1	0	373.501	1.974	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1	ZINC000175796811	174028382	/nfs/dbraw/zinc/02/83/82/174028382.db2.gz	SXINLDPYEYKEQD-OCCSQVGLSA-N	1	0	356.426	1.637	20	30		FDEDRO
CCc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCN(c3sccc3C#N)C1=O)CC2	ZINC000176789886	174088516	/nfs/dbraw/zinc/08/85/16/174088516.db2.gz	KQWCNVVJVOBRHK-STQMWFEESA-N	1	0	356.455	1.484	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1	ZINC000178456739	174189082	/nfs/dbraw/zinc/18/90/82/174189082.db2.gz	UZPQZKGFVJMDED-RDJZCZTQSA-N	1	0	370.453	1.838	20	30		FDEDRO
Cn1cc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)c(-c2ccc(C#N)cc2)n1	ZINC000180177647	258363335	/nfs/dbraw/zinc/36/33/35/258363335.db2.gz	SXMGIHYNVCEDGR-IBGZPJMESA-N	1	0	351.454	1.912	20	30		FDEDRO
C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)C1	ZINC000176559794	258324883	/nfs/dbraw/zinc/32/48/83/258324883.db2.gz	SUMGXSYUIAADOR-IRXDYDNUSA-N	1	0	356.474	1.658	20	30		FDEDRO
C[NH+](C)CC(=O)N1CCN(Cc2cc(C#N)ccc2Br)CC1	ZINC000191775479	258392085	/nfs/dbraw/zinc/39/20/85/258392085.db2.gz	VZWGGJSZIDILDE-UHFFFAOYSA-N	1	0	365.275	1.527	20	30		FDEDRO
N#Cc1ccncc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000553223080	543590047	/nfs/dbraw/zinc/59/00/47/543590047.db2.gz	SXDSNEGEBPSDAL-GOSISDBHSA-N	1	0	350.422	1.974	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CC)CCc2nccs2)CC1	ZINC000553329231	543610866	/nfs/dbraw/zinc/61/08/66/543610866.db2.gz	BAIOJXSRZNSMPZ-UHFFFAOYSA-N	1	0	364.515	1.691	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1	ZINC000553346883	543614869	/nfs/dbraw/zinc/61/48/69/543614869.db2.gz	KVKDIHKLMFYGRC-QGZVFWFLSA-N	1	0	354.454	1.650	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1CC	ZINC000553351469	543615509	/nfs/dbraw/zinc/61/55/09/543615509.db2.gz	OHIJSESRNNQOPT-KRWDZBQOSA-N	1	0	359.470	1.858	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1	ZINC000553984165	543728808	/nfs/dbraw/zinc/72/88/08/543728808.db2.gz	DFFXLTCOCTTZGS-KRWDZBQOSA-N	1	0	357.454	1.564	20	30		FDEDRO
C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2cccc(Br)c2C#N)C1	ZINC000553824400	543701248	/nfs/dbraw/zinc/70/12/48/543701248.db2.gz	BPVUEPDVLAPQAN-LLVKDONJSA-N	1	0	372.288	1.941	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCC1CC[NH+](CC)CC1	ZINC000553897275	543713489	/nfs/dbraw/zinc/71/34/89/543713489.db2.gz	FCIBDBNODWQDSB-DLBZAZTESA-N	1	0	351.491	1.322	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000554342735	543788477	/nfs/dbraw/zinc/78/84/77/543788477.db2.gz	DBKWGJFNOUHQQA-DOTOQJQBSA-N	1	0	359.470	1.809	20	30		FDEDRO
C=CCn1c([C@@H]2COCCO2)nnc1N1CCC(C[NH+]2CCCC2)CC1	ZINC000554630823	543840849	/nfs/dbraw/zinc/84/08/49/543840849.db2.gz	YBSFYQOZEHDYQG-KRWDZBQOSA-N	1	0	361.490	1.864	20	30		FDEDRO
Cc1ccc(C(=O)NCC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)cc1F	ZINC000555574456	543978223	/nfs/dbraw/zinc/97/82/23/543978223.db2.gz	MOFWSTWELSOGMQ-QGZVFWFLSA-N	1	0	371.412	1.765	20	30		FDEDRO
CC#CC[N@@H+](C)CCC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC	ZINC000555753192	544021085	/nfs/dbraw/zinc/02/10/85/544021085.db2.gz	UKFUQROQFJAJNP-UHFFFAOYSA-N	1	0	366.439	1.913	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1	ZINC000555644293	543994974	/nfs/dbraw/zinc/99/49/74/543994974.db2.gz	CJEJVQUEXRFFAF-CVEARBPZSA-N	1	0	351.491	1.465	20	30		FDEDRO
C[NH+](C)Cc1ccc(CNC(=O)C(=O)NCc2cccc(C#N)c2)cc1F	ZINC000556036965	544079304	/nfs/dbraw/zinc/07/93/04/544079304.db2.gz	BKXQFUFBXGCYLL-UHFFFAOYSA-N	1	0	368.412	1.692	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC000557100941	544244868	/nfs/dbraw/zinc/24/48/68/544244868.db2.gz	GFYPQXUPSLXUTH-CQSZACIVSA-N	1	0	359.430	1.276	20	30		FDEDRO
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCC[C@@H]2CC[NH2+]C2)n1	ZINC000557002984	544232998	/nfs/dbraw/zinc/23/29/98/544232998.db2.gz	UHJOWYXTGBRKNP-LBPRGKRZSA-N	1	0	358.833	2.518	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1	ZINC000557893660	544360316	/nfs/dbraw/zinc/36/03/16/544360316.db2.gz	PXCBMANJWHTXPD-UHFFFAOYSA-N	1	0	365.518	1.951	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000558211356	544400731	/nfs/dbraw/zinc/40/07/31/544400731.db2.gz	ZHMOXVQHONPUIB-YJBOKZPZSA-N	1	0	356.470	1.896	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)nc1	ZINC000299101954	258972118	/nfs/dbraw/zinc/97/21/18/258972118.db2.gz	XSAFZZJNKBQCBY-SJORKVTESA-N	1	0	354.458	1.412	20	30		FDEDRO
CNC(=O)[C@H]1C[N@H+](Cc2cc(C#N)ccc2OC)C[C@@H]1c1cnn(C)c1	ZINC000299745854	259020263	/nfs/dbraw/zinc/02/02/63/259020263.db2.gz	SWRIUCLETKIIHE-SJORKVTESA-N	1	0	353.426	1.262	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1	ZINC000301637566	259030943	/nfs/dbraw/zinc/03/09/43/259030943.db2.gz	AJWDYUIDATVTED-OAHLLOKOSA-N	1	0	373.501	1.437	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H]2[C@H]2COCC[C@@H]2O)C1=O	ZINC000328824997	259060650	/nfs/dbraw/zinc/06/06/50/259060650.db2.gz	PWMVKZQQPOMWET-WCVJEAGWSA-N	1	0	361.467	1.587	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)[C@H]2C1	ZINC000329220066	259085397	/nfs/dbraw/zinc/08/53/97/259085397.db2.gz	SVJCHITVQRSYLH-MNEFBYGVSA-N	1	0	372.444	1.455	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000332072000	259239001	/nfs/dbraw/zinc/23/90/01/259239001.db2.gz	WDFLQPKOTQCRIB-HLIPFELVSA-N	1	0	369.513	1.843	20	30		FDEDRO
C[C@H](C(=O)Nc1ccccc1C#N)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1	ZINC000332086091	259240508	/nfs/dbraw/zinc/24/05/08/259240508.db2.gz	QZLSDMUSPXFONL-DLBZAZTESA-N	1	0	369.513	1.986	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)C[C@H]1[NH+]1CCCC1	ZINC000332105144	259242050	/nfs/dbraw/zinc/24/20/50/259242050.db2.gz	ZOTGEICEYFLWFD-HZPDHXFCSA-N	1	0	351.497	1.759	20	30		FDEDRO
C[NH+](C)CC1CCC(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1	ZINC000332546498	259275696	/nfs/dbraw/zinc/27/56/96/259275696.db2.gz	NDRHFIFHXYJCCJ-UHFFFAOYSA-N	1	0	370.501	1.905	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1C#N	ZINC000333735810	259375573	/nfs/dbraw/zinc/37/55/73/259375573.db2.gz	WXJQIIIYKOTPHZ-DOTOQJQBSA-N	1	0	363.483	1.774	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCC4(CC[NH2+]4)CC3)C2=O)cc1	ZINC000333778927	259380985	/nfs/dbraw/zinc/38/09/85/259380985.db2.gz	DKQZQJWKBJUNJM-KRWDZBQOSA-N	1	0	367.453	1.591	20	30		FDEDRO
Cc1c(Cl)cnc(N2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)c1C#N	ZINC000363684754	259643026	/nfs/dbraw/zinc/64/30/26/259643026.db2.gz	ZNGIVJNFONBLRJ-CYBMUJFWSA-N	1	0	368.890	1.661	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCCN(C(=O)c3ccc[nH]3)CC2)cc1	ZINC000364526015	259757043	/nfs/dbraw/zinc/75/70/43/259757043.db2.gz	ZACJBNDOTPCBCP-KRWDZBQOSA-N	1	0	368.437	1.474	20	30		FDEDRO
C[N@H+](C[C@H]1CC12CCN(c1cc(S(N)(=O)=O)ccc1C#N)CC2)C1CC1	ZINC000367346068	260028169	/nfs/dbraw/zinc/02/81/69/260028169.db2.gz	KBZWJZHWQURRDN-OAHLLOKOSA-N	1	0	374.510	1.906	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)nc1	ZINC000367373779	260031972	/nfs/dbraw/zinc/03/19/72/260031972.db2.gz	YBSDPSATEUYINF-CVEARBPZSA-N	1	0	359.455	1.697	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)c(F)c1	ZINC000367713155	260080397	/nfs/dbraw/zinc/08/03/97/260080397.db2.gz	QLAPNPOOJKABQL-BBWFWOEESA-N	1	0	372.444	1.503	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([NH2+]C[C@H]3CN(C4CC4)CCO3)C2=O)cc1	ZINC000367867088	260102688	/nfs/dbraw/zinc/10/26/88/260102688.db2.gz	ANQPCLHCOSFQDN-RBUKOAKNSA-N	1	0	354.454	1.506	20	30		FDEDRO
COC(=O)[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CC(=O)N(c3ccc(C#N)cc3)C1=O)C2	ZINC000368078026	260132277	/nfs/dbraw/zinc/13/22/77/260132277.db2.gz	XGVNZOPYVVALFL-NBQZKYEYSA-N	1	0	367.405	1.465	20	30		FDEDRO
N#Cc1c(NC(=O)CC[N@@H+]2CCN3CCOC[C@@H]3C2)sc2c1CCCC2	ZINC000368814506	260240687	/nfs/dbraw/zinc/24/06/87/260240687.db2.gz	SSRLGYAMYUAIMQ-AWEZNQCLSA-N	1	0	374.510	1.844	20	30		FDEDRO
COC(=O)c1cn([C@H]2CC[N@H+](CCC(=O)Nc3ccccc3C#N)C2)nn1	ZINC000368854057	260248434	/nfs/dbraw/zinc/24/84/34/260248434.db2.gz	MGDIAUHTCRGURU-AWEZNQCLSA-N	1	0	368.397	1.212	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)cc1	ZINC000368909400	260258766	/nfs/dbraw/zinc/25/87/66/260258766.db2.gz	IHEHPCZCBASLHY-HKUYNNGSSA-N	1	0	373.453	1.011	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1	ZINC000373929386	261053406	/nfs/dbraw/zinc/05/34/06/261053406.db2.gz	OKGAPUTXZGQFOT-SJORKVTESA-N	1	0	366.469	1.893	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCc1cccc(C#N)c1	ZINC000374195580	261091556	/nfs/dbraw/zinc/09/15/56/261091556.db2.gz	WWCXQCMRIYWTNG-MRXNPFEDSA-N	1	0	356.470	1.995	20	30		FDEDRO
C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC(n2cnc(C#N)n2)CC1	ZINC000376432432	261564801	/nfs/dbraw/zinc/56/48/01/261564801.db2.gz	HOPZNVRTKKLDCS-HNNXBMFYSA-N	1	0	359.478	1.617	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1	ZINC000408371677	262100762	/nfs/dbraw/zinc/10/07/62/262100762.db2.gz	CRULNILTDFWUDJ-GXTWGEPZSA-N	1	0	364.427	1.571	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccn(-c2cccc(C#N)c2)n1	ZINC000409642412	262131058	/nfs/dbraw/zinc/13/10/58/262131058.db2.gz	VVZKXTSZICPHSR-KRWDZBQOSA-N	1	0	353.426	1.585	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C)n1cnc(C#N)n1	ZINC000409872187	262143213	/nfs/dbraw/zinc/14/32/13/262143213.db2.gz	ZWSNHYAGVSHJSY-OWCLPIDISA-N	1	0	352.442	1.832	20	30		FDEDRO
C[C@H](C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)n1cnc(C#N)n1	ZINC000409951030	262147212	/nfs/dbraw/zinc/14/72/12/262147212.db2.gz	FQISNFAOKVEVEU-RHSMWYFYSA-N	1	0	352.442	1.738	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)C1	ZINC000972086113	782045437	/nfs/dbraw/zinc/04/54/37/782045437.db2.gz	IIEMAODXZUNLNA-CEXWTWQISA-N	1	0	357.498	1.437	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@H]1[NH+](C)C	ZINC000271099698	674309593	/nfs/dbraw/zinc/30/95/93/674309593.db2.gz	MRRMZIMAHKKVJE-OLZOCXBDSA-N	1	0	361.439	1.503	20	30		FDEDRO
C=CCOc1ccc(C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)cc1OC	ZINC000271186565	674319725	/nfs/dbraw/zinc/31/97/25/674319725.db2.gz	NLXNHFGYOBVDNF-OAHLLOKOSA-N	1	0	354.472	1.761	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)NC[C@H]3C[NH2+]CCCO3)n2)c(F)c1	ZINC000516162982	490853733	/nfs/dbraw/zinc/85/37/33/490853733.db2.gz	LRMWLLNMRRWSTB-CYBMUJFWSA-N	1	0	358.377	1.383	20	30		FDEDRO
N#Cc1ccc(NCC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)nc1	ZINC000541983122	490881638	/nfs/dbraw/zinc/88/16/38/490881638.db2.gz	KWOGPRRZEWKOGG-GOSISDBHSA-N	1	0	365.437	1.248	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)C2CCC(NC(=O)C3CC3)CC2)c1C#N	ZINC000530476429	490907435	/nfs/dbraw/zinc/90/74/35/490907435.db2.gz	DAXXRDUPQLXXII-UHFFFAOYSA-N	1	0	372.473	1.457	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)n2)c(F)c1	ZINC000543958479	490952943	/nfs/dbraw/zinc/95/29/43/490952943.db2.gz	KOIHKFUCHZTPCW-MRXNPFEDSA-N	1	0	354.389	1.211	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H](C)[C@@H]1CN(C)CCO1	ZINC000613161013	491970325	/nfs/dbraw/zinc/97/03/25/491970325.db2.gz	MQVJAWUHNIEFSC-ZFWWWQNUSA-N	1	0	369.429	1.288	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC(CO)([NH2+]CC2CC2)CC1	ZINC000570635772	549354873	/nfs/dbraw/zinc/35/48/73/549354873.db2.gz	VXTXUCGCYWYQRX-HNNXBMFYSA-N	1	0	356.470	1.712	20	30		FDEDRO
N#Cc1cccc(NC(=O)CC[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1	ZINC000029448799	519294846	/nfs/dbraw/zinc/29/48/46/519294846.db2.gz	LNUDJAHWJBESJU-UHFFFAOYSA-N	1	0	360.421	1.976	20	30		FDEDRO
COc1ccc(C[NH2+]CC(C)(C)NS(C)(=O)=O)cc1OCCCC#N	ZINC000068990318	521777894	/nfs/dbraw/zinc/77/78/94/521777894.db2.gz	YCPIKSAJPMERSK-UHFFFAOYSA-N	1	0	369.487	1.795	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000069711956	521943262	/nfs/dbraw/zinc/94/32/62/521943262.db2.gz	TXGGTXLCBHMWSD-IRXDYDNUSA-N	1	0	357.454	1.896	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000069741750	521946461	/nfs/dbraw/zinc/94/64/61/521946461.db2.gz	PNGUQTYKRUZTKI-SJLPKXTDSA-N	1	0	357.454	1.896	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000069745843	521948246	/nfs/dbraw/zinc/94/82/46/521948246.db2.gz	IGKSAFCNSXFMMI-QGZVFWFLSA-N	1	0	373.453	1.516	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CC1(N2CCSCC2)CCCCC1	ZINC000069873946	521970139	/nfs/dbraw/zinc/97/01/39/521970139.db2.gz	DUKIADZTKRSSIQ-OAHLLOKOSA-N	1	0	368.547	1.728	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CC1(N2CCSCC2)CCCCC1	ZINC000069873943	521970355	/nfs/dbraw/zinc/97/03/55/521970355.db2.gz	DUKIADZTKRSSIQ-HNNXBMFYSA-N	1	0	368.547	1.728	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)C[NH+]1CCCCC1	ZINC000057043589	521986024	/nfs/dbraw/zinc/98/60/24/521986024.db2.gz	DRGQVSDLEOLYSD-KRWDZBQOSA-N	1	0	370.501	1.907	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](c2nccn2C)c2ccccc2OC)CC1	ZINC000057154355	522014367	/nfs/dbraw/zinc/01/43/67/522014367.db2.gz	VTNNQLOJJCRERZ-IBGZPJMESA-N	1	0	366.465	1.980	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)CC1	ZINC000057154889	522015593	/nfs/dbraw/zinc/01/55/93/522015593.db2.gz	WOBHSWHVXQYKHY-FQEVSTJZSA-N	1	0	355.482	1.521	20	30		FDEDRO
Cc1ccc([C@H](CNc2c(C#N)c(=O)n(C)c(=O)n2C)[NH+]2CCCC2)cc1	ZINC000057829785	522165251	/nfs/dbraw/zinc/16/52/51/522165251.db2.gz	MGJZTHITYPNLLN-KRWDZBQOSA-N	1	0	367.453	1.513	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)c1cnc2n(c1=O)CCS2)C(C)C	ZINC000046049210	522212416	/nfs/dbraw/zinc/21/24/16/522212416.db2.gz	VBMDLXIEWNHHRD-OAHLLOKOSA-N	1	0	362.499	1.777	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)C(C)C	ZINC000046049477	522212860	/nfs/dbraw/zinc/21/28/60/522212860.db2.gz	BFMPOZQJTMNPSW-KSZLIROESA-N	1	0	373.497	1.752	20	30		FDEDRO
CC[NH+](CC)CCSCC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000072834560	522402985	/nfs/dbraw/zinc/40/29/85/522402985.db2.gz	PZTDBYVTOANMLD-UHFFFAOYSA-N	1	0	361.515	1.677	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CN1CCCCCC1=O	ZINC000047011465	522423315	/nfs/dbraw/zinc/42/33/15/522423315.db2.gz	HMTXUHGKEZAYER-UHFFFAOYSA-N	1	0	356.470	1.851	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)cc2C1=O	ZINC000047226889	522476551	/nfs/dbraw/zinc/47/65/51/522476551.db2.gz	PZHQAMCOFVFZGH-DLBZAZTESA-N	1	0	353.422	1.825	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CN[C@H](c2ccccc2)C(F)(F)F)CC1	ZINC000073454967	522531172	/nfs/dbraw/zinc/53/11/72/522531172.db2.gz	CBARKOHCMGEMSG-OAHLLOKOSA-N	1	0	354.376	1.984	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1	ZINC000047905574	522620101	/nfs/dbraw/zinc/62/01/01/522620101.db2.gz	HDQOGIGJDFMWNB-OAHLLOKOSA-N	1	0	365.499	1.613	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)cc1	ZINC000047981584	522643265	/nfs/dbraw/zinc/64/32/65/522643265.db2.gz	YWVSYXZSESMEKD-OALUTQOASA-N	1	0	371.481	1.731	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CCN1c2ccccc2OCC1=O	ZINC000064361566	522708118	/nfs/dbraw/zinc/70/81/18/522708118.db2.gz	SKNFOXKXZOYJFR-UHFFFAOYSA-N	1	0	358.442	1.496	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)c3ccc(CC)cc3)CC2)CC1	ZINC000050029715	522878588	/nfs/dbraw/zinc/87/85/88/522878588.db2.gz	KJYCWMALKOVJRS-UHFFFAOYSA-N	1	0	367.493	1.879	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCC(=O)N1CCOCC1	ZINC000065931278	522920855	/nfs/dbraw/zinc/92/08/55/522920855.db2.gz	YOUHNWUVJJJRDK-UHFFFAOYSA-N	1	0	372.469	1.087	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)COc3ccc(C#N)cc3)CC2)CC1	ZINC000050803060	522943462	/nfs/dbraw/zinc/94/34/62/522943462.db2.gz	NXKVEWJDVORYAV-UHFFFAOYSA-N	1	0	356.470	1.612	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CCC)C1	ZINC000051051504	522968368	/nfs/dbraw/zinc/96/83/68/522968368.db2.gz	ZFRPBYWUUKNLAH-KKUMJFAQSA-N	1	0	352.479	1.404	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCCC[C@@H]1CN1CCOCC1	ZINC000075969126	523000583	/nfs/dbraw/zinc/00/05/83/523000583.db2.gz	JQIACFIGMWEVSU-ZHALLVOQSA-N	1	0	350.507	1.616	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1	ZINC000076487268	523123287	/nfs/dbraw/zinc/12/32/87/523123287.db2.gz	HRANMOWVZRKQHG-HNNXBMFYSA-N	1	0	372.469	1.242	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1	ZINC000076526645	523130236	/nfs/dbraw/zinc/13/02/36/523130236.db2.gz	BQSSCJAVDRZZDC-MRXNPFEDSA-N	1	0	355.438	1.224	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CCC)C2)c1	ZINC000076659308	523160562	/nfs/dbraw/zinc/16/05/62/523160562.db2.gz	UVZCDXOVWKNPPT-MRXNPFEDSA-N	1	0	357.454	1.827	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)Cc1ccccc1	ZINC000077538088	523375369	/nfs/dbraw/zinc/37/53/69/523375369.db2.gz	OOTOZVNJUYCCAD-QGZVFWFLSA-N	1	0	368.412	1.925	20	30		FDEDRO
C[C@@H](C#N)CN(C)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1	ZINC000080213973	523852876	/nfs/dbraw/zinc/85/28/76/523852876.db2.gz	ZBYBXMURMQIKHX-AWEZNQCLSA-N	1	0	351.495	1.414	20	30		FDEDRO
C[NH+]=C(NCCc1c[nH]c2cc(F)ccc12)NC[C@@H]1CCS(=O)(=O)C1	ZINC000080622991	523893575	/nfs/dbraw/zinc/89/35/75/523893575.db2.gz	VSZUBXCEWUTKBV-LBPRGKRZSA-N	1	0	366.462	1.449	20	30		FDEDRO
C[NH+]1CCC(O)(CNC(=O)c2ccc(COc3ccccc3C#N)o2)CC1	ZINC000080882810	523911266	/nfs/dbraw/zinc/91/12/66/523911266.db2.gz	AIFXXJCWCQOMCP-UHFFFAOYSA-N	1	0	369.421	1.917	20	30		FDEDRO
N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1	ZINC000081119614	523943159	/nfs/dbraw/zinc/94/31/59/523943159.db2.gz	XYFXPSTYICSYDG-VQTJNVASSA-N	1	0	352.482	1.902	20	30		FDEDRO
CC[NH+](CC)CCOC1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)CC1	ZINC000081176899	523949481	/nfs/dbraw/zinc/94/94/81/523949481.db2.gz	OLLPUEQZCNLTDC-UHFFFAOYSA-N	1	0	372.469	1.846	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1cc(N2CCNC2=O)ccc1F	ZINC000157180936	524226077	/nfs/dbraw/zinc/22/60/77/524226077.db2.gz	FTSIOFBONURHBW-UHFFFAOYSA-N	1	0	361.421	1.663	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1	ZINC000111230846	524227838	/nfs/dbraw/zinc/22/78/38/524227838.db2.gz	PENLDPLKONAPIL-MOPGFXCFSA-N	1	0	350.551	1.901	20	30		FDEDRO
C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccc(C#N)c(Cl)c2)cn1	ZINC000157575831	524299294	/nfs/dbraw/zinc/29/92/94/524299294.db2.gz	JCAQRIHSIPTYHG-UHFFFAOYSA-N	1	0	374.832	1.338	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3nc(OC)ccc3c2)CC1	ZINC000173272982	524359734	/nfs/dbraw/zinc/35/97/34/524359734.db2.gz	AASMIUQSSMLLEK-UHFFFAOYSA-N	1	0	368.437	1.949	20	30		FDEDRO
CO/N=C/c1ccc(C(=O)N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)cc1	ZINC000173280144	524362623	/nfs/dbraw/zinc/36/26/23/524362623.db2.gz	KLCQCTCBBRJZDP-QTKYHAHDSA-N	1	0	358.486	1.909	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)[NH+]1CCC(C)CC1	ZINC000086446459	524389660	/nfs/dbraw/zinc/38/96/60/524389660.db2.gz	OZPBEJIQZSXHNS-MRXNPFEDSA-N	1	0	374.489	1.608	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(CN2CCCCC2=O)CC1	ZINC000173447508	524394918	/nfs/dbraw/zinc/39/49/18/524394918.db2.gz	WIOJEWLCBKVEEV-AWEZNQCLSA-N	1	0	350.463	1.111	20	30		FDEDRO
CC[NH+]1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1	ZINC000173737178	524448678	/nfs/dbraw/zinc/44/86/78/524448678.db2.gz	YPZYRALJYFGSIX-IBGZPJMESA-N	1	0	373.476	1.172	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+]C2(C(N)=O)CCCCC2)c(OC)c1	ZINC000088545459	524455328	/nfs/dbraw/zinc/45/53/28/524455328.db2.gz	NERZVDUHHWYIJH-MRXNPFEDSA-N	1	0	362.470	1.941	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCc3cccc(C#N)c3)=[NH+]C[C@H]2C1	ZINC000089120406	524476052	/nfs/dbraw/zinc/47/60/52/524476052.db2.gz	OZGILSBDMDBMOZ-INIZCTEOSA-N	1	0	355.442	1.939	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCCCNC(=O)C#Cc2ccc3c(c2)OCO3)C[C@H](C)O1	ZINC000122242554	524486864	/nfs/dbraw/zinc/48/68/64/524486864.db2.gz	BOHFXGVLZYHHFT-IYBDPMFKSA-N	1	0	358.438	1.772	20	30		FDEDRO
Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1)CC2	ZINC000174084335	524513992	/nfs/dbraw/zinc/51/39/92/524513992.db2.gz	QOLKEBYIWCJSEO-ZBFHGGJFSA-N	1	0	352.442	1.826	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c1C#N	ZINC000089663880	524517377	/nfs/dbraw/zinc/51/73/77/524517377.db2.gz	KOCMVWOMFFMBAE-GFCCVEGCSA-N	1	0	352.398	1.711	20	30		FDEDRO
C=CCNC(=O)c1ccc(NCCN2CCN(C(=O)C3CCC3)CC2)nc1	ZINC000112695611	524537808	/nfs/dbraw/zinc/53/78/08/524537808.db2.gz	KVIZQBZMPHEPRJ-UHFFFAOYSA-N	1	0	371.485	1.354	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CCn1cnc2ccccc2c1=O	ZINC000089942553	524554568	/nfs/dbraw/zinc/55/45/68/524554568.db2.gz	WJZGAQBOAYNTNH-UHFFFAOYSA-N	1	0	351.414	1.138	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1	ZINC000089943388	524557053	/nfs/dbraw/zinc/55/70/53/524557053.db2.gz	HJZIRZFAAISCFY-QGZVFWFLSA-N	1	0	370.432	1.887	20	30		FDEDRO
N#Cc1cnc(N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)cn1	ZINC000122745672	524608101	/nfs/dbraw/zinc/60/81/01/524608101.db2.gz	DRVFGJLOJQPYMK-UHFFFAOYSA-N	1	0	356.474	1.557	20	30		FDEDRO
C[NH+](C)CC(=O)N1CCN(c2ccc(C#N)cc2Br)CC1	ZINC000122764403	524611889	/nfs/dbraw/zinc/61/18/89/524611889.db2.gz	PRXDAGHFTGABTC-UHFFFAOYSA-N	1	0	351.248	1.531	20	30		FDEDRO
CC1CCN(C(=[NH2+])NCCOc2ccc(NS(C)(=O)=O)cc2)CC1	ZINC000090988667	524616464	/nfs/dbraw/zinc/61/64/64/524616464.db2.gz	YUEBMJZXGIQHSX-UHFFFAOYSA-N	1	0	354.476	1.484	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)n1	ZINC000091210898	524662478	/nfs/dbraw/zinc/66/24/78/524662478.db2.gz	WZVDLPYPDZUQCY-QLFBSQMISA-N	1	0	374.489	1.757	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCC2(C(=O)N(C)C)CCCC2)CC1	ZINC000113390186	524676987	/nfs/dbraw/zinc/67/69/87/524676987.db2.gz	HRBLPLQJIYNYKQ-UHFFFAOYSA-N	1	0	350.507	1.975	20	30		FDEDRO
Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)CC2	ZINC000113439954	524684988	/nfs/dbraw/zinc/68/49/88/524684988.db2.gz	PTBGVAZFLDFSJT-CJNGLKHVSA-N	1	0	370.432	1.965	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1	ZINC000151869202	524710941	/nfs/dbraw/zinc/71/09/41/524710941.db2.gz	YOJGJJSHIBKCLM-CJNGLKHVSA-N	1	0	370.453	1.282	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Cc2cccc(S(=O)(=O)CC)c2)CC1	ZINC000123486585	524759881	/nfs/dbraw/zinc/75/98/81/524759881.db2.gz	QPHDTKGDOJMTFU-UHFFFAOYSA-N	1	0	350.484	1.789	20	30		FDEDRO
Cn1ccnc1C[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000123662759	524801997	/nfs/dbraw/zinc/80/19/97/524801997.db2.gz	SRPKMDMSJJFPFS-MSOLQXFVSA-N	1	0	354.454	1.986	20	30		FDEDRO
C#CCOc1ccccc1C[NH+]1CCC(C(=O)NCC(=O)OCC)CC1	ZINC000092064604	524838803	/nfs/dbraw/zinc/83/88/03/524838803.db2.gz	IVDRHKAOGNAKDC-UHFFFAOYSA-N	1	0	358.438	1.590	20	30		FDEDRO
CCN(CCC#N)C(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1	ZINC000123982818	524875642	/nfs/dbraw/zinc/87/56/42/524875642.db2.gz	PWBAHPNGOYLUSX-UHFFFAOYSA-N	1	0	374.510	1.979	20	30		FDEDRO
N#Cc1ccc(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)cn1	ZINC000115052464	524938348	/nfs/dbraw/zinc/93/83/48/524938348.db2.gz	GWHNFAVIWCSHNK-INIZCTEOSA-N	1	0	363.421	1.903	20	30		FDEDRO
Cc1nn(C)c(C)c1OCC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000124401593	524977587	/nfs/dbraw/zinc/97/75/87/524977587.db2.gz	OTPJLDZUYVDYLU-UHFFFAOYSA-N	1	0	369.469	1.878	20	30		FDEDRO
N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)n2c1	ZINC000124452573	524991241	/nfs/dbraw/zinc/99/12/41/524991241.db2.gz	NPGHRIBSTFOHNN-MRXNPFEDSA-N	1	0	353.426	1.277	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cnn3cc(Br)cnc23)CC1	ZINC000094123141	525021475	/nfs/dbraw/zinc/02/14/75/525021475.db2.gz	APAWJDRQOBFNDI-UHFFFAOYSA-N	1	0	364.247	1.872	20	30		FDEDRO
COCc1nc2n(n1)C[C@H]([NH2+][C@H]1CCN(c3sccc3C#N)C1=O)CC2	ZINC000124694573	525052783	/nfs/dbraw/zinc/05/27/83/525052783.db2.gz	GUGGKLIELLJFOH-OLZOCXBDSA-N	1	0	372.454	1.068	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCC2CC[NH+](CCO)CC2)cc1Cl	ZINC000161411412	525102841	/nfs/dbraw/zinc/10/28/41/525102841.db2.gz	WFFAODSJAQOZEW-UHFFFAOYSA-N	1	0	357.863	1.194	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CCN1C(=O)c2ccccc2C1=O	ZINC000153245316	525154860	/nfs/dbraw/zinc/15/48/60/525154860.db2.gz	YDZXMYOFEVYZTR-UHFFFAOYSA-N	1	0	352.398	1.024	20	30		FDEDRO
C[C@H](C(=O)NCCc1cccs1)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153304064	525172512	/nfs/dbraw/zinc/17/25/12/525172512.db2.gz	AHIIRGXDMMQMTE-GFCCVEGCSA-N	1	0	360.487	1.537	20	30		FDEDRO
C#CCOCCC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000125454227	525200766	/nfs/dbraw/zinc/20/07/66/525200766.db2.gz	MMGNWQDUURYKMW-LJQANCHMSA-N	1	0	370.497	1.482	20	30		FDEDRO
CC(=O)c1ccc(NC(=O)[C@H](C)N(C)CCCc2[nH]nc(N)c2C#N)cc1	ZINC000125475436	525204811	/nfs/dbraw/zinc/20/48/11/525204811.db2.gz	LTQNQUJLYYFPOD-LBPRGKRZSA-N	1	0	368.441	1.958	20	30		FDEDRO
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000125489442	525205863	/nfs/dbraw/zinc/20/58/63/525205863.db2.gz	PNNLKVIJFYWNGX-LLVKDONJSA-N	1	0	371.401	1.663	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000162346679	525246352	/nfs/dbraw/zinc/24/63/52/525246352.db2.gz	JQTRQAYZBYVEGN-HNNXBMFYSA-N	1	0	359.478	1.300	20	30		FDEDRO
C[NH+]=C(NC[C@H](OC)c1cccc(Cl)c1)N[C@@H]1CCc2ncnn2C1	ZINC000126114223	525274299	/nfs/dbraw/zinc/27/42/99/525274299.db2.gz	IEYVAIQWJKVWJQ-CABCVRRESA-N	1	0	362.865	1.799	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H](C)[C@@H]1CCOC1	ZINC000162646685	525291145	/nfs/dbraw/zinc/29/11/45/525291145.db2.gz	XTVYQYQCVPFQJG-GDBMZVCRSA-N	1	0	362.474	1.966	20	30		FDEDRO
C[C@@](C#N)(NC(=O)C[NH2+][C@@H](CN1CCOCC1)c1ccccc1)C1CC1	ZINC000102700873	525301023	/nfs/dbraw/zinc/30/10/23/525301023.db2.gz	XLFTYWBHQCCKML-ICSRJNTNSA-N	1	0	356.470	1.458	20	30		FDEDRO
COC1(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CCOCC1	ZINC000126553580	525327134	/nfs/dbraw/zinc/32/71/34/525327134.db2.gz	KBRZZDQUGWCHCV-UHFFFAOYSA-N	1	0	374.485	1.827	20	30		FDEDRO
CN(CC1CC[NH+](C)CC1)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000103516223	525367497	/nfs/dbraw/zinc/36/74/97/525367497.db2.gz	PBRYRSCUEGEZDN-UHFFFAOYSA-N	1	0	370.501	1.905	20	30		FDEDRO
CCCNC(=[NH2+])NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1	ZINC000104154801	525397982	/nfs/dbraw/zinc/39/79/82/525397982.db2.gz	SOYDXYSQQXZLCI-OAHLLOKOSA-N	1	0	350.463	1.391	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2	ZINC000178377914	525417781	/nfs/dbraw/zinc/41/77/81/525417781.db2.gz	ROUBGZSOWNYBBI-UHFFFAOYSA-N	1	0	364.471	1.716	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(NC(N)=O)CC1)C(C)C	ZINC000163503764	525418955	/nfs/dbraw/zinc/41/89/55/525418955.db2.gz	QAHWHVOYEDBMAN-INIZCTEOSA-N	1	0	351.495	1.527	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@H]1CO	ZINC000178485266	525437104	/nfs/dbraw/zinc/43/71/04/525437104.db2.gz	PJJNURZULAGMDK-INIZCTEOSA-N	1	0	358.442	1.158	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Cn1cnc(C#N)n1	ZINC000178551690	525446226	/nfs/dbraw/zinc/44/62/26/525446226.db2.gz	FVBAHDLJLSAFLK-INIZCTEOSA-N	1	0	353.430	1.058	20	30		FDEDRO
C=CCOc1cccc(NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000105017816	525457564	/nfs/dbraw/zinc/45/75/64/525457564.db2.gz	MFHYPRXGXBGEQA-OAHLLOKOSA-N	1	0	360.458	1.960	20	30		FDEDRO
CC[N@H+](CCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)C1CC1	ZINC000118120290	525462782	/nfs/dbraw/zinc/46/27/82/525462782.db2.gz	DGAFGRDPWVIBFK-UHFFFAOYSA-N	1	0	366.368	1.699	20	30		FDEDRO
CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccccc1C#N)C(=O)NCC[NH+](C)C	ZINC000127830190	525470745	/nfs/dbraw/zinc/47/07/45/525470745.db2.gz	BIEJVYIPXWPVIS-WBVHZDCISA-N	1	0	374.485	1.534	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N[C@H]1CCCN(c2ncccn2)C1	ZINC000178827240	525487501	/nfs/dbraw/zinc/48/75/01/525487501.db2.gz	SAYFKSQQRMRADB-NXOAAHMSSA-N	1	0	370.501	1.568	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2[nH]c(C)c(C(=O)OC)c2C)c1C#N	ZINC000128135663	525508559	/nfs/dbraw/zinc/50/85/59/525508559.db2.gz	JJCNPUJQVOPFFR-UHFFFAOYSA-N	1	0	358.402	1.417	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NCC[C@H]2CC[NH2+]C2)ccc1F	ZINC000178939199	525508787	/nfs/dbraw/zinc/50/87/87/525508787.db2.gz	PQCZVDHGSSRRAU-GFCCVEGCSA-N	1	0	355.435	1.019	20	30		FDEDRO
C[NH+]=C(NCc1cccc2c1OCO2)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000179080009	525528945	/nfs/dbraw/zinc/52/89/45/525528945.db2.gz	UEPWCYCIXCHROF-HNNXBMFYSA-N	1	0	360.458	1.145	20	30		FDEDRO
C=CCNc1ncc(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)s1	ZINC000128389818	525534700	/nfs/dbraw/zinc/53/47/00/525534700.db2.gz	AYFAYIPHOUFHMZ-ZDUSSCGKSA-N	1	0	363.487	1.295	20	30		FDEDRO
C[NH+](C)CCCOc1ccc(CNS(=O)(=O)CC2(C#N)CC2)cc1	ZINC000165192790	525546178	/nfs/dbraw/zinc/54/61/78/525546178.db2.gz	NXDLYJKLZVVOBO-UHFFFAOYSA-N	1	0	351.472	1.740	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Cn2cc(Br)ccc2=O)CC1	ZINC000106037734	525553529	/nfs/dbraw/zinc/55/35/29/525553529.db2.gz	AMCLXBNMLBCNIZ-UHFFFAOYSA-N	1	0	368.275	1.768	20	30		FDEDRO
N#CC1(CS(=O)(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC1	ZINC000166375608	525582052	/nfs/dbraw/zinc/58/20/52/525582052.db2.gz	CDHNBLZJXBBLRE-UHFFFAOYSA-N	1	0	355.504	1.444	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=O)c2ccnc(OCC[NH+](C)C)c2)c1	ZINC000179471838	525588905	/nfs/dbraw/zinc/58/89/05/525588905.db2.gz	SOVJLQPKBRUGTN-UHFFFAOYSA-N	1	0	366.421	1.372	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2CCCC[NH2+]2)c1	ZINC000154634070	525594809	/nfs/dbraw/zinc/59/48/09/525594809.db2.gz	SUBZCKHTEXZHGT-OQCHKFKFSA-N	1	0	364.471	1.580	20	30		FDEDRO
CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000180118697	525664899	/nfs/dbraw/zinc/66/48/99/525664899.db2.gz	UPAFSHBXAXGYSE-ZDUSSCGKSA-N	1	0	359.879	1.847	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCCN2c3ccccc3CC2=O)CC1	ZINC000106269134	525686443	/nfs/dbraw/zinc/68/64/43/525686443.db2.gz	QUPCCISTNKJHJO-UHFFFAOYSA-N	1	0	356.470	1.915	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C(=O)NC)c2)CC1	ZINC000106349228	525699537	/nfs/dbraw/zinc/69/95/37/525699537.db2.gz	JYYGGTCERSCUND-UHFFFAOYSA-N	1	0	358.442	1.141	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2c[nH]nc2-c2ccccn2)CC1	ZINC000180583800	525726677	/nfs/dbraw/zinc/72/66/77/525726677.db2.gz	RPRGWTXJMMRTMH-UHFFFAOYSA-N	1	0	354.414	1.177	20	30		FDEDRO
C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000119466405	525755893	/nfs/dbraw/zinc/75/58/93/525755893.db2.gz	AATFKSDIPXCATQ-JSGCOSHPSA-N	1	0	360.462	1.247	20	30		FDEDRO
C[NH+]=C(N[C@H]1[C@H]2CCO[C@@H]2C12CCCC2)N1CCN(c2ncccn2)CC1	ZINC000130438554	525756797	/nfs/dbraw/zinc/75/67/97/525756797.db2.gz	UTZJJAHKWBZXSO-IKGGRYGDSA-N	1	0	370.501	1.522	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=[NH2+])NCCCN1CCOCC1	ZINC000170908113	525764239	/nfs/dbraw/zinc/76/42/39/525764239.db2.gz	XMKQKHHOFGGLCQ-UHFFFAOYSA-N	1	0	361.515	1.418	20	30		FDEDRO
COc1ccccc1CNC(=[NH2+])NCc1cccnc1N1CCN(C)CC1	ZINC000170911992	525766843	/nfs/dbraw/zinc/76/68/43/525766843.db2.gz	MLHOOLVZVWUPCY-UHFFFAOYSA-N	1	0	368.485	1.447	20	30		FDEDRO
COc1ccc(C(=O)NCCNC(=[NH2+])NCc2ccccc2OC)cc1	ZINC000170912952	525767289	/nfs/dbraw/zinc/76/72/89/525767289.db2.gz	VGXYUPIRUMOGJA-UHFFFAOYSA-N	1	0	356.426	1.538	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1sccc1Br	ZINC000170913222	525767307	/nfs/dbraw/zinc/76/73/07/525767307.db2.gz	ANQACJWMJRRJEQ-UHFFFAOYSA-N	1	0	361.309	1.637	20	30		FDEDRO
Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000180873947	525768944	/nfs/dbraw/zinc/76/89/44/525768944.db2.gz	DLXBFXVXHYKAHQ-JGWKNBOWSA-N	1	0	356.426	1.828	20	30		FDEDRO
CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)cc1	ZINC000181020105	525791669	/nfs/dbraw/zinc/79/16/69/525791669.db2.gz	KWMDXQSHVMYISX-SJCJKPOMSA-N	1	0	364.471	1.054	20	30		FDEDRO
CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(C#N)cc2)cc1	ZINC000181039472	525796322	/nfs/dbraw/zinc/79/63/22/525796322.db2.gz	YPHBSQGFVOANOA-ZDUSSCGKSA-N	1	0	372.450	1.756	20	30		FDEDRO
CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1C#N	ZINC000106820993	525800582	/nfs/dbraw/zinc/80/05/82/525800582.db2.gz	ZWOUEAYKFAZKEX-ZDUSSCGKSA-N	1	0	373.526	1.918	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH+]1CCN(CC(=O)Nc2ccccc2)CC1	ZINC000130902764	525806994	/nfs/dbraw/zinc/80/69/94/525806994.db2.gz	NLJDQNCVVWVSET-UHFFFAOYSA-N	1	0	357.458	1.005	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1	ZINC000181226315	525824114	/nfs/dbraw/zinc/82/41/14/525824114.db2.gz	SXTSVAYDHFVBAI-UHFFFAOYSA-N	1	0	366.465	1.969	20	30		FDEDRO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](C)N1CC[NH+](C)CC1	ZINC000171132888	525863550	/nfs/dbraw/zinc/86/35/50/525863550.db2.gz	HIMDTUCSPABWDZ-VQIMIIECSA-N	1	0	358.486	1.714	20	30		FDEDRO
C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000171135382	525865130	/nfs/dbraw/zinc/86/51/30/525865130.db2.gz	AYSPDLQEZUXIHF-AWEZNQCLSA-N	1	0	352.442	1.930	20	30		FDEDRO
COc1ccc(F)cc1CN1CC[NH+](CCC(=O)N(C)CCC#N)CC1	ZINC000181531458	525869956	/nfs/dbraw/zinc/86/99/56/525869956.db2.gz	SATVADFJSBTXND-UHFFFAOYSA-N	1	0	362.449	1.714	20	30		FDEDRO
N#Cc1ccc(OCC[NH+]2CCC(NC(=O)C3CCOCC3)CC2)cc1	ZINC000107686140	525906345	/nfs/dbraw/zinc/90/63/45/525906345.db2.gz	GXZNQHYSXXCIJK-UHFFFAOYSA-N	1	0	357.454	1.944	20	30		FDEDRO
N#CCCn1ccc(NC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)n1	ZINC000132467582	525967282	/nfs/dbraw/zinc/96/72/82/525967282.db2.gz	WLTHZOQTRWFEBE-IAGOWNOFSA-N	1	0	368.441	1.554	20	30		FDEDRO
C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)cn1	ZINC000120124170	525969271	/nfs/dbraw/zinc/96/92/71/525969271.db2.gz	SIENQHXGOSZUHE-UHFFFAOYSA-N	1	0	360.805	1.547	20	30		FDEDRO
C[NH+]=C(NCc1ccco1)NCc1ccc(S(=O)(=O)N(C)C)cc1	ZINC000171410839	525983944	/nfs/dbraw/zinc/98/39/44/525983944.db2.gz	KTFGYFQVLVGRDS-UHFFFAOYSA-N	1	0	350.444	1.395	20	30		FDEDRO
CCN1CC[NH+](CCCCNC(=O)NCc2ccc(C#N)cc2F)CC1	ZINC000171484060	526010050	/nfs/dbraw/zinc/01/00/50/526010050.db2.gz	DWUZXSUDALQNAV-UHFFFAOYSA-N	1	0	361.465	1.914	20	30		FDEDRO
Cc1ccc(C(=O)NCC(C)(C)C[NH+](C)C)cc1S(=O)(=O)NCC#N	ZINC000108768251	526020672	/nfs/dbraw/zinc/02/06/72/526020672.db2.gz	CQLQHXMBSMCGCS-UHFFFAOYSA-N	1	0	366.487	1.115	20	30		FDEDRO
COCCC(=O)N1CCC([NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1	ZINC000133331646	526047332	/nfs/dbraw/zinc/04/73/32/526047332.db2.gz	RNBMBHQZCBGUMK-HNNXBMFYSA-N	1	0	364.490	1.335	20	30		FDEDRO
CN(C)C(=O)[C@H]1CC[C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)O1	ZINC000182107280	526057468	/nfs/dbraw/zinc/05/74/68/526057468.db2.gz	GYYQRIDKAYSECJ-WOJBJXKFSA-N	1	0	370.497	1.748	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)C3(C#N)CCOCC3)cn2)CC1	ZINC000109140302	526079862	/nfs/dbraw/zinc/07/98/62/526079862.db2.gz	LBKKLEQEQSBDER-UHFFFAOYSA-N	1	0	357.458	1.160	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CCOc2ccc(S(C)(=O)=O)cc2)CC1	ZINC000171717422	526091033	/nfs/dbraw/zinc/09/10/33/526091033.db2.gz	JPKVBPNQCWAIAY-UHFFFAOYSA-N	1	0	366.483	1.626	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NC[C@](C)(O)c3ccco3)=[NH+]C[C@H]2C1	ZINC000133988098	526114041	/nfs/dbraw/zinc/11/40/41/526114041.db2.gz	UKKGEOBKCQJNJN-UGSOOPFHSA-N	1	0	364.446	1.368	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[NH+]1CCCCCC1	ZINC000156417441	526129981	/nfs/dbraw/zinc/12/99/81/526129981.db2.gz	WIXLCNIWDUYHAZ-UHFFFAOYSA-N	1	0	352.416	1.621	20	30		FDEDRO
CC[C@@H](C)NC(=O)CON=C(N)c1ccccc1C[NH+]1CCC(O)CC1	ZINC000171946429	526189163	/nfs/dbraw/zinc/18/91/63/526189163.db2.gz	USOBIOWVWPWQTO-CQSZACIVSA-N	1	0	362.474	1.195	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC(CC(=O)N(C)C)CC2)CC1	ZINC000182621806	535836067	/nfs/dbraw/zinc/83/60/67/535836067.db2.gz	CLBLACWCFPGJCW-UHFFFAOYSA-N	1	0	350.507	1.927	20	30		FDEDRO
CC1(O)CC[NH+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1	ZINC000182854981	535875468	/nfs/dbraw/zinc/87/54/68/535875468.db2.gz	OCAZOWHDYFYWHI-GOSISDBHSA-N	1	0	374.460	1.381	20	30		FDEDRO
C[NH+](C)CCOc1cc(C(=O)NCc2ccc(OCC#N)cc2)ccn1	ZINC000183161974	535931626	/nfs/dbraw/zinc/93/16/26/535931626.db2.gz	ZHJMOAUZXKWAMV-UHFFFAOYSA-N	1	0	354.410	1.854	20	30		FDEDRO
C[C@@](C#N)(NC(=O)CN[C@H](CO)c1cccc(Br)c1)C1CC1	ZINC000183910761	536064886	/nfs/dbraw/zinc/06/48/86/536064886.db2.gz	BPPLYAKRFRKILR-ZBFHGGJFSA-N	1	0	366.259	1.881	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1	ZINC000184203888	536113705	/nfs/dbraw/zinc/11/37/05/536113705.db2.gz	DCKDHXZGFPEOJC-INIZCTEOSA-N	1	0	358.486	1.858	20	30		FDEDRO
CC(C)[C@H](C[N@H+](C)Cc1ccccc1)Nc1c(C#N)c(=O)n(C)c(=O)n1C	ZINC000184360604	536139453	/nfs/dbraw/zinc/13/94/53/536139453.db2.gz	SQHLCYBLGICBEA-KRWDZBQOSA-N	1	0	369.469	1.524	20	30		FDEDRO
N#Cc1ccc(Cl)c(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)c1	ZINC000184858499	536188013	/nfs/dbraw/zinc/18/80/13/536188013.db2.gz	JRWKULZIYNFFRU-UHFFFAOYSA-N	1	0	357.863	1.337	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1F	ZINC000185098402	536198550	/nfs/dbraw/zinc/19/85/50/536198550.db2.gz	FBTSJKWSTOELMK-UMVBOHGHSA-N	1	0	367.446	1.099	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000188123526	536283458	/nfs/dbraw/zinc/28/34/58/536283458.db2.gz	WEFXGDMOIAUVTH-KRWDZBQOSA-N	1	0	370.453	1.469	20	30		FDEDRO
CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C1(C#N)CCOCC1	ZINC000188169724	536284684	/nfs/dbraw/zinc/28/46/84/536284684.db2.gz	WWMVVXHBUQZMAQ-HXUWFJFHSA-N	1	0	357.454	1.402	20	30		FDEDRO
C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000246238644	536907460	/nfs/dbraw/zinc/90/74/60/536907460.db2.gz	NSDHVWPTDSJRBO-DBROBJPSSA-N	1	0	354.454	1.623	20	30		FDEDRO
CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000267915977	537001975	/nfs/dbraw/zinc/00/19/75/537001975.db2.gz	AWBQQRHMZFNVOG-UHFFFAOYSA-N	1	0	362.478	1.562	20	30		FDEDRO
C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)[C@H](C)C1	ZINC000189549678	537063862	/nfs/dbraw/zinc/06/38/62/537063862.db2.gz	GPYRCHQXPMVPCF-HZPDHXFCSA-N	1	0	372.469	1.581	20	30		FDEDRO
COc1cc(C#N)ccc1OCCCC(=O)NC[C@H](C)N1CC[NH+](C)CC1	ZINC000263730626	537081355	/nfs/dbraw/zinc/08/13/55/537081355.db2.gz	GZWPRZBRQLZESL-INIZCTEOSA-N	1	0	374.485	1.478	20	30		FDEDRO
CCO[C@H]1C[C@@](CO)([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1(C)C	ZINC000190016297	537127661	/nfs/dbraw/zinc/12/76/61/537127661.db2.gz	ZKXFOHQRLWGDDH-WMZOPIPTSA-N	1	0	366.483	1.488	20	30		FDEDRO
Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCO[C@@H](C#N)C3)CC2)cc1	ZINC000247554216	537132578	/nfs/dbraw/zinc/13/25/78/537132578.db2.gz	FJUMYPIWLKUZKC-IBGZPJMESA-N	1	0	356.470	1.254	20	30		FDEDRO
C[C@@H](ONC(N)=C1C(=[NH2+])C2(CCCC2)N(C)C1=O)C(=O)Nc1ccccc1	ZINC000264910720	537150017	/nfs/dbraw/zinc/15/00/17/537150017.db2.gz	FGCITBUGXQSJHX-GFCCVEGCSA-N	1	0	371.441	1.300	20	30		FDEDRO
O=C(NCC[NH2+]Cc1cc(Cl)c2c(c1)OCCO2)C1N=CC=CC1=O	ZINC000264960828	537150524	/nfs/dbraw/zinc/15/05/24/537150524.db2.gz	OEBMKQFLMHFLDV-ICFOKQHNSA-N	1	0	363.801	1.727	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)NCCN1C(=O)CCC1=O)C(C)C	ZINC000265134704	537151095	/nfs/dbraw/zinc/15/10/95/537151095.db2.gz	ZTEYLYCOMQOUHW-OAHLLOKOSA-N	1	0	350.463	1.133	20	30		FDEDRO
C[C@@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)CC[N@@H+]1CCO	ZINC000190247895	537157679	/nfs/dbraw/zinc/15/76/79/537157679.db2.gz	UWRNCWGWKPRJHC-QGZVFWFLSA-N	1	0	353.470	1.962	20	30		FDEDRO
C#C[C@H](C)NC(=O)C(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1	ZINC000190253850	537158087	/nfs/dbraw/zinc/15/80/87/537158087.db2.gz	BYHIEJBHIIXLCP-ZDUSSCGKSA-N	1	0	362.861	1.558	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2ccc(Cl)cc2C#N)CC1	ZINC000190908157	537190582	/nfs/dbraw/zinc/19/05/82/537190582.db2.gz	SYHUHGKIRGBCHL-ZDUSSCGKSA-N	1	0	370.906	1.516	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@@H]3CC[C@H](C)C[C@H]3C)CC2)o1	ZINC000248584507	537194448	/nfs/dbraw/zinc/19/44/48/537194448.db2.gz	XAOLBGQKHBPWSJ-SQWLQELKSA-N	1	0	359.474	1.918	20	30		FDEDRO
C#C[C@H](C)NC(=O)C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1	ZINC000192187604	537221782	/nfs/dbraw/zinc/22/17/82/537221782.db2.gz	GRQHTLWTXZPWLT-INIZCTEOSA-N	1	0	356.470	1.602	20	30		FDEDRO
N#CCCCS(=O)(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000192238231	537222088	/nfs/dbraw/zinc/22/20/88/537222088.db2.gz	KFUMCIJPMZIYQK-QGZVFWFLSA-N	1	0	351.472	1.501	20	30		FDEDRO
C[C@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)C(=O)N(C)CCC#N	ZINC000192947697	537236592	/nfs/dbraw/zinc/23/65/92/537236592.db2.gz	LKBLQQTVNCWSRF-LSDHHAIUSA-N	1	0	350.488	1.472	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1	ZINC000193498589	537249255	/nfs/dbraw/zinc/24/92/55/537249255.db2.gz	AHVGWBREAAJWES-OAGGEKHMSA-N	1	0	364.490	1.793	20	30		FDEDRO
C[N@H+](CCOCCO)CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000282275918	537297744	/nfs/dbraw/zinc/29/77/44/537297744.db2.gz	DOVZVDZTDVWYON-UHFFFAOYSA-N	1	0	351.472	1.768	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NCCc1ccc(OCC[NH+](C)C)cc1	ZINC000282549134	537328883	/nfs/dbraw/zinc/32/88/83/537328883.db2.gz	DSDMCSDLOUUOBF-HNNXBMFYSA-N	1	0	368.503	1.095	20	30		FDEDRO
O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1c(F)c(F)cc(F)c1F	ZINC000282779834	537338705	/nfs/dbraw/zinc/33/87/05/537338705.db2.gz	PDMVDYKKZAQSEY-VIFPVBQESA-N	1	0	373.272	1.809	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F	ZINC000282903533	537345812	/nfs/dbraw/zinc/34/58/12/537345812.db2.gz	FSLWBAZLEWSBMY-CYBMUJFWSA-N	1	0	374.457	1.807	20	30		FDEDRO
N#C[C@@H]1CC[C@@H]([NH2+]C2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)C1	ZINC000333065289	537346579	/nfs/dbraw/zinc/34/65/79/537346579.db2.gz	JFTDYBAMNZDGNM-CHWSQXEVSA-N	1	0	363.439	1.113	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1	ZINC000333538165	537349243	/nfs/dbraw/zinc/34/92/43/537349243.db2.gz	IXQAVLWOMZKKIW-OWSLCNJRSA-N	1	0	351.491	1.896	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)C#Cc1ccc2c(c1)OCO2	ZINC000363875371	537349547	/nfs/dbraw/zinc/34/95/47/537349547.db2.gz	ZBVRIYNJSHLYBL-BPQIPLTHSA-N	1	0	370.449	1.772	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1	ZINC000333593618	537349965	/nfs/dbraw/zinc/34/99/65/537349965.db2.gz	TVBKHRXIWGUJHP-CABCVRRESA-N	1	0	354.476	1.113	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)NC[C@H](CC[NH+](C)C)OCC)c(F)c1	ZINC000283189424	537358850	/nfs/dbraw/zinc/35/88/50/537358850.db2.gz	GVJOCUJHLPUORG-ZDUSSCGKSA-N	1	0	367.396	1.358	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2cc(C)ccc2OC)CC1	ZINC000283591068	537383660	/nfs/dbraw/zinc/38/36/60/537383660.db2.gz	TYTFZEQJWQQVGD-UHFFFAOYSA-N	1	0	359.470	1.429	20	30		FDEDRO
C=CCC[C@@H](O)C[N@H+]1CCC[C@H](c2n[nH]cc2C(=O)NCCOC)C1	ZINC000364791165	537398140	/nfs/dbraw/zinc/39/81/40/537398140.db2.gz	QDOOUMYRXVMFOS-LSDHHAIUSA-N	1	0	350.463	1.292	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(Cl)c(CN(C)C)c1	ZINC000293246974	537399736	/nfs/dbraw/zinc/39/97/36/537399736.db2.gz	DFKDQVGHPQOYST-UHFFFAOYSA-N	1	0	364.877	1.411	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1	ZINC000273145281	537401276	/nfs/dbraw/zinc/40/12/76/537401276.db2.gz	PPPOXTCIWWXLGN-ZDUSSCGKSA-N	1	0	374.441	1.121	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1	ZINC000365041618	537416730	/nfs/dbraw/zinc/41/67/30/537416730.db2.gz	SCAOSVUAQRFRNK-ZWKOTPCHSA-N	1	0	354.454	1.507	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2cc(F)cc(F)c2)CC1	ZINC000286094723	537420035	/nfs/dbraw/zinc/42/00/35/537420035.db2.gz	ZTAQFTCLDIOKGO-UHFFFAOYSA-N	1	0	351.397	1.390	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N(CCC)CCC[NH+](C)C)cc1	ZINC000276322265	537420676	/nfs/dbraw/zinc/42/06/76/537420676.db2.gz	HIIMRYBJVQNTRU-UHFFFAOYSA-N	1	0	365.499	1.402	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000284606107	537451179	/nfs/dbraw/zinc/45/11/79/537451179.db2.gz	YTZACSPBFJDICY-SFHVURJKSA-N	1	0	359.470	1.476	20	30		FDEDRO
CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000290906758	537462493	/nfs/dbraw/zinc/46/24/93/537462493.db2.gz	IHUGIRPMXHESGF-KGLIPLIRSA-N	1	0	366.487	1.070	20	30		FDEDRO
C[C@H](c1nc(-c2cccc(OCC[NH+](C)C)c2)no1)n1cnc(C#N)n1	ZINC000350058335	537468030	/nfs/dbraw/zinc/46/80/30/537468030.db2.gz	BONWEBFFNVRNOF-GFCCVEGCSA-N	1	0	353.386	1.749	20	30		FDEDRO
C=CCC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000276390687	537470673	/nfs/dbraw/zinc/47/06/73/537470673.db2.gz	JFEJRIKGYMXGRA-UHFFFAOYSA-N	1	0	351.472	1.027	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1scc(C)c1C(=O)OCC	ZINC000293501006	537490115	/nfs/dbraw/zinc/49/01/15/537490115.db2.gz	XESBLNLSECHMNU-UHFFFAOYSA-N	1	0	365.455	1.243	20	30		FDEDRO
CCN(CCC[NH+](CC)CC)C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000276436259	537509371	/nfs/dbraw/zinc/50/93/71/537509371.db2.gz	KRZDSNOCMYMCSZ-ZCXUNETKSA-N	1	0	350.463	1.483	20	30		FDEDRO
C=CCC[N@@H+](C)CC(=O)NN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O	ZINC000276500060	537553602	/nfs/dbraw/zinc/55/36/02/537553602.db2.gz	WCOMKZAYJFIJGU-SFHVURJKSA-N	1	0	360.414	1.001	20	30		FDEDRO
N#Cc1cccc(-n2ccc(C(=O)N[C@@H](CO)C[NH+]3CCCCC3)n2)c1	ZINC000293715891	537571663	/nfs/dbraw/zinc/57/16/63/537571663.db2.gz	VCEHQHRUPOAFQG-MRXNPFEDSA-N	1	0	353.426	1.321	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCCN1CCCOCC1	ZINC000275794829	537571621	/nfs/dbraw/zinc/57/16/21/537571621.db2.gz	VZZNAHHQXCOANR-UHFFFAOYSA-N	1	0	374.441	1.122	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH2+][C@H]2CCN(c3ccn(C)n3)C2=O)cc1	ZINC000360092662	537578481	/nfs/dbraw/zinc/57/84/81/537578481.db2.gz	KZMSHKAWLQLTLC-KRWDZBQOSA-N	1	0	352.442	1.665	20	30		FDEDRO
CC(C)(C)NC(=O)CN1CCC[N@H+](CCOc2ccccc2C#N)CC1	ZINC000360292959	537584579	/nfs/dbraw/zinc/58/45/79/537584579.db2.gz	YRLRNURDUSCDGG-UHFFFAOYSA-N	1	0	358.486	1.859	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)C3CC[NH+](C4CC4)CC3)CC2)nc1	ZINC000365818577	537590155	/nfs/dbraw/zinc/59/01/55/537590155.db2.gz	FPRWVWOYYGWIAD-UHFFFAOYSA-N	1	0	353.470	1.913	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CC)cc1	ZINC000293916941	537624332	/nfs/dbraw/zinc/62/43/32/537624332.db2.gz	GNFMPQXMYAYKHM-HNNXBMFYSA-N	1	0	365.499	1.448	20	30		FDEDRO
Cc1nc(C(C)(C)NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)no1	ZINC000329416956	537636591	/nfs/dbraw/zinc/63/65/91/537636591.db2.gz	FVQFGXZFZFKGRE-HUUCEWRRSA-N	1	0	365.478	1.885	20	30		FDEDRO
O=C(N[C@H]1COC[C@H]1n1ccnn1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1	ZINC000329417968	537636833	/nfs/dbraw/zinc/63/68/33/537636833.db2.gz	DPGFQRMXOJABSQ-XLNGHYISSA-N	1	0	360.462	1.081	20	30		FDEDRO
O=C(N[C@H]1COC[C@H]1n1ccnn1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1	ZINC000329417967	537636865	/nfs/dbraw/zinc/63/68/65/537636865.db2.gz	DPGFQRMXOJABSQ-QMCVQRASSA-N	1	0	360.462	1.081	20	30		FDEDRO
COCCn1cc2c(n1)[C@H](NC(=O)N1C[C@@H]3CCC[N@@H+]3C[C@H]1C)CCC2	ZINC000329503381	537637839	/nfs/dbraw/zinc/63/78/39/537637839.db2.gz	ICUWVLWFJDQZIH-HYVNUMGLSA-N	1	0	361.490	1.989	20	30		FDEDRO
Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1	ZINC000329711805	537642648	/nfs/dbraw/zinc/64/26/48/537642648.db2.gz	PBOROYIUQOERSM-GUYCJALGSA-N	1	0	361.490	1.975	20	30		FDEDRO
CC1CC[NH+](CC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CC1	ZINC000329913980	537645144	/nfs/dbraw/zinc/64/51/44/537645144.db2.gz	CEGNQWQIZQNJJS-UHFFFAOYSA-N	1	0	373.501	1.809	20	30		FDEDRO
C[C@H](NC(=O)CN1CCO[C@]2(CCO[C@@H]2C)C1)C(=O)N1CCCCC1	ZINC000329918924	537646063	/nfs/dbraw/zinc/64/60/63/537646063.db2.gz	CYBHXBLLASYQIR-HDMKZQKVSA-N	1	0	353.463	1.224	20	30		FDEDRO
Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)NC[C@@H]1C[N@H+](C)CCN1C	ZINC000329917481	537646280	/nfs/dbraw/zinc/64/62/80/537646280.db2.gz	QVWXQMUAMVCFEB-SJLPKXTDSA-N	1	0	370.501	2.373	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCN(CC(F)F)CC1	ZINC000330222269	537651702	/nfs/dbraw/zinc/65/17/02/537651702.db2.gz	MGLBHMQKDFWTQL-HUUCEWRRSA-N	1	0	360.449	1.161	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C[C@](O)(c1nc(C)cs1)C(F)(F)F	ZINC000294095021	537656771	/nfs/dbraw/zinc/65/67/71/537656771.db2.gz	XTTKBNUWEWPACR-AWEZNQCLSA-N	1	0	363.405	1.663	20	30		FDEDRO
C[NH+]1CCC(O)(CNC(=O)Nc2ccnc(OCC(F)(F)F)c2)CC1	ZINC000330666725	537659879	/nfs/dbraw/zinc/65/98/79/537659879.db2.gz	ARITUZLGNSASAR-UHFFFAOYSA-N	1	0	362.352	1.805	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCC(N(C)C(C)=O)CC2)CC1	ZINC000330999158	537663817	/nfs/dbraw/zinc/66/38/17/537663817.db2.gz	ZIXHFZRUIXUKDO-INIZCTEOSA-N	1	0	367.538	1.117	20	30		FDEDRO
C=CC[C@@H]1[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CCCC1(C)C	ZINC000332574685	537667438	/nfs/dbraw/zinc/66/74/38/537667438.db2.gz	XTJJYCDYUBONGW-HNNXBMFYSA-N	1	0	373.501	1.891	20	30		FDEDRO
C=C[C@@H](CO)NC(=O)C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1	ZINC000290117445	537673286	/nfs/dbraw/zinc/67/32/86/537673286.db2.gz	RVYAIKZUXGRKSQ-INIZCTEOSA-N	1	0	374.485	1.127	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CC[N@@H+](C[C@@H](O)COc3ccccc3F)C2)nc1	ZINC000292286586	537725409	/nfs/dbraw/zinc/72/54/09/537725409.db2.gz	TWRXUHAXBFHIEX-CVEARBPZSA-N	1	0	357.385	1.985	20	30		FDEDRO
CN(C[C@H]1CCC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1)S(C)(=O)=O	ZINC000285552061	537729518	/nfs/dbraw/zinc/72/95/18/537729518.db2.gz	IVUMSLYXIGRISC-WBVHZDCISA-N	1	0	351.472	1.195	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)ccc1F	ZINC000375940438	537809128	/nfs/dbraw/zinc/80/91/28/537809128.db2.gz	GHNQEIADVVGMDC-DOMZBBRYSA-N	1	0	367.446	1.114	20	30		FDEDRO
CCC([NH3+])(CC)CNC(=O)C(=O)NCCSCc1ccccc1C#N	ZINC000418919087	537847878	/nfs/dbraw/zinc/84/78/78/537847878.db2.gz	JSHMINDOQFWOSL-UHFFFAOYSA-N	1	0	362.499	1.541	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[NH2+][C@H](CO)[C@H]2CCCOC2)cc1Cl	ZINC000411992814	537927459	/nfs/dbraw/zinc/92/74/59/537927459.db2.gz	KMFGSDGSJUYWNO-XJKSGUPXSA-N	1	0	351.834	1.917	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC[C@@H]1[NH3+]	ZINC000419104312	537940865	/nfs/dbraw/zinc/94/08/65/537940865.db2.gz	AJTFWVDBFLOMGD-DOMZBBRYSA-N	1	0	367.371	1.369	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC[C@H]1[NH3+]	ZINC000419104315	537940955	/nfs/dbraw/zinc/94/09/55/537940955.db2.gz	AJTFWVDBFLOMGD-SWLSCSKDSA-N	1	0	367.371	1.369	20	30		FDEDRO
C=CCN(C(=O)NCc1cnnn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000377030823	537952146	/nfs/dbraw/zinc/95/21/46/537952146.db2.gz	MIHJRWPFMOJRKI-QGZVFWFLSA-N	1	0	354.458	1.787	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@]23C[C@H]2CCN3C(=O)OC(C)(C)C)CC1	ZINC000377124224	537957381	/nfs/dbraw/zinc/95/73/81/537957381.db2.gz	DGVXPZQAKQIYKX-QRWLVFNGSA-N	1	0	361.486	1.990	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1	ZINC000410685947	537959831	/nfs/dbraw/zinc/95/98/31/537959831.db2.gz	FJBPGVSASSESFG-MRXNPFEDSA-N	1	0	350.507	1.038	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H](Cc2nnc3ccccn32)C1	ZINC000368399897	537979506	/nfs/dbraw/zinc/97/95/06/537979506.db2.gz	MQJAXJCKXMFCSM-MRXNPFEDSA-N	1	0	354.458	1.746	20	30		FDEDRO
C[NH+](C)CCN1CCC(NC(=O)[C@]2(C#N)CCc3ccccc3C2)CC1	ZINC000368463306	537981084	/nfs/dbraw/zinc/98/10/84/537981084.db2.gz	YCYSCLCBHSNXOS-OAQYLSRUSA-N	1	0	354.498	1.827	20	30		FDEDRO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[N@@H+]([C@@H](C)CO)CC1	ZINC000368974210	537995860	/nfs/dbraw/zinc/99/58/60/537995860.db2.gz	NYNOWJDWHGLMLG-AGYKMIKPSA-N	1	0	364.534	1.694	20	30		FDEDRO
CN(C(=O)C[NH2+][C@H]1CCCC[C@H]1N1CCOCC1)C1(C#N)CCCCC1	ZINC000372692815	538003096	/nfs/dbraw/zinc/00/30/96/538003096.db2.gz	IKDOOHWNALWVBW-ZWKOTPCHSA-N	1	0	362.518	1.904	20	30		FDEDRO
CCc1nc(CN2CCC[C@H]([N@H+](C)[C@H](C)C(=O)N(C)CCC#N)C2)no1	ZINC000369246865	538008328	/nfs/dbraw/zinc/00/83/28/538008328.db2.gz	ZSAFHCJCKDSDLF-CABCVRRESA-N	1	0	362.478	1.289	20	30		FDEDRO
C[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1	ZINC000415403321	538032533	/nfs/dbraw/zinc/03/25/33/538032533.db2.gz	RSAQDOPGXFJJNK-UHFFFAOYSA-N	1	0	366.368	1.556	20	30		FDEDRO
Cc1oc(NC(=O)CN2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c(C#N)c1C	ZINC000377833260	538033072	/nfs/dbraw/zinc/03/30/72/538033072.db2.gz	XWWQOAMPJANJKN-QGZVFWFLSA-N	1	0	373.501	1.807	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H](F)C2CN(C(=O)OC(C)(C)C)C2)CC1	ZINC000377915621	538043624	/nfs/dbraw/zinc/04/36/24/538043624.db2.gz	HIIKHWLYHOVKOX-OAHLLOKOSA-N	1	0	355.454	1.958	20	30		FDEDRO
C[C@H]([NH3+])C1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1	ZINC000415439229	538048114	/nfs/dbraw/zinc/04/81/14/538048114.db2.gz	MQVFWKHVWVCTFE-LBPRGKRZSA-N	1	0	356.405	2.474	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC[NH2+]1	ZINC000415448286	538050713	/nfs/dbraw/zinc/05/07/13/538050713.db2.gz	XTZFGQOKJQMXAK-SECBINFHSA-N	1	0	351.204	1.080	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)C2)c(F)c1	ZINC000417582298	538054440	/nfs/dbraw/zinc/05/44/40/538054440.db2.gz	VDPAPIOQEREWBV-OCCSQVGLSA-N	1	0	369.391	1.948	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C2CCCC2)C(F)(F)F)CC1	ZINC000411254273	538057559	/nfs/dbraw/zinc/05/75/59/538057559.db2.gz	FPBGIJQICIUHCU-AWEZNQCLSA-N	1	0	361.408	1.990	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC[C@@H]1[NH3+]	ZINC000415466907	538065687	/nfs/dbraw/zinc/06/56/87/538065687.db2.gz	UNMSWZPEIOEHGC-RNCFNFMXSA-N	1	0	354.332	1.711	20	30		FDEDRO
C=C(C)[C@@H](NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)c1ccc(F)c(F)c1	ZINC000419668883	538088806	/nfs/dbraw/zinc/08/88/06/538088806.db2.gz	ASUSYTPMPDEWNO-OAHLLOKOSA-N	1	0	351.397	1.909	20	30		FDEDRO
C=C(C)[C@@H](NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)c1ccc(F)c(F)c1	ZINC000419681065	538089939	/nfs/dbraw/zinc/08/99/39/538089939.db2.gz	ROHMVXNYFLKHHC-QAPCUYQASA-N	1	0	351.397	1.896	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1	ZINC000419877568	538127929	/nfs/dbraw/zinc/12/79/29/538127929.db2.gz	FSZXMKOVHHIFQO-HOCLYGCPSA-N	1	0	374.441	1.614	20	30		FDEDRO
C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cccc(C#N)c1Br	ZINC000419970456	538168973	/nfs/dbraw/zinc/16/89/73/538168973.db2.gz	BYEKJROKUFHIHZ-OAHLLOKOSA-N	1	0	354.248	1.753	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H](C[NH3+])CC(C)C	ZINC000419982557	538174104	/nfs/dbraw/zinc/17/41/04/538174104.db2.gz	VODHYNNDPRZVNP-QGZVFWFLSA-N	1	0	360.458	1.023	20	30		FDEDRO
C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2ccc(Br)cc2C#N)CC1	ZINC000451280190	538221639	/nfs/dbraw/zinc/22/16/39/538221639.db2.gz	ZEKDFMUOJGLZQX-LBPRGKRZSA-N	1	0	366.259	1.849	20	30		FDEDRO
Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@@H]([NH3+])CCCC#N	ZINC000424116320	538238649	/nfs/dbraw/zinc/23/86/49/538238649.db2.gz	XJTXVQNPGPUUDH-LBPRGKRZSA-N	1	0	367.247	1.833	20	30		FDEDRO
COc1ccc([C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)N2CCOCC2)cc1	ZINC000424145889	538245364	/nfs/dbraw/zinc/24/53/64/538245364.db2.gz	ZUXVZDWJDNUNLC-QZTJIDSGSA-N	1	0	360.458	1.206	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1	ZINC000424156876	538247089	/nfs/dbraw/zinc/24/70/89/538247089.db2.gz	RJUINKXZCRNDAR-TZMCWYRMSA-N	1	0	368.359	1.948	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@@H+](C[C@@H](C)O)[C@H](C)Cc1ccc(Cl)cc1	ZINC000441271111	538320755	/nfs/dbraw/zinc/32/07/55/538320755.db2.gz	WDCZQZCYKAPMSZ-ZIAGYGMSSA-N	1	0	367.877	1.966	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)nn1	ZINC000424632264	538334728	/nfs/dbraw/zinc/33/47/28/538334728.db2.gz	UAPPBTQCZDMKFH-CALCHBBNSA-N	1	0	360.506	1.485	20	30		FDEDRO
C=CCC1(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCOCC1	ZINC000424648404	538338758	/nfs/dbraw/zinc/33/87/58/538338758.db2.gz	WSNKSNKQONQSLB-MRXNPFEDSA-N	1	0	351.491	1.418	20	30		FDEDRO
CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2ccc(F)c(C#N)c2)CC1	ZINC000452050589	538355557	/nfs/dbraw/zinc/35/55/57/538355557.db2.gz	RHWGLHHUQQDRTK-UHFFFAOYSA-N	1	0	368.478	1.392	20	30		FDEDRO
C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000447256165	538362558	/nfs/dbraw/zinc/36/25/58/538362558.db2.gz	KFMOKYSGUWHCBY-MWLCHTKSSA-N	1	0	358.261	1.679	20	30		FDEDRO
C=CCC[C@@H](O)C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000420975058	538373020	/nfs/dbraw/zinc/37/30/20/538373020.db2.gz	PXAJHEHXLBVCDE-CQSZACIVSA-N	1	0	357.432	1.132	20	30		FDEDRO
N#Cc1cccc(-n2ccc(C(=O)NC[C@@H]3CCCC[N@H+]3CCO)n2)c1	ZINC000452368792	538383256	/nfs/dbraw/zinc/38/32/56/538383256.db2.gz	DEYSEEKXLCLUMS-KRWDZBQOSA-N	1	0	353.426	1.321	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1	ZINC000438196528	538421090	/nfs/dbraw/zinc/42/10/90/538421090.db2.gz	GXQJQDPWAMRSET-BZSNNMDCSA-N	1	0	352.523	1.539	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccccc3SCCC#N)C[C@@H]21	ZINC000453920870	538472613	/nfs/dbraw/zinc/47/26/13/538472613.db2.gz	RQFBHIJUQPRZHM-HIFRSBDPSA-N	1	0	358.467	1.793	20	30		FDEDRO
CN(C)c1noc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1	ZINC000460617760	538490671	/nfs/dbraw/zinc/49/06/71/538490671.db2.gz	GIMINGNZUGUPHX-UHFFFAOYSA-N	1	0	371.445	1.281	20	30		FDEDRO
COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H](C)n3cnc(C#N)n3)CC2)cc1	ZINC000467011999	538593017	/nfs/dbraw/zinc/59/30/17/538593017.db2.gz	GJIQVGCTQLEGKO-OAHLLOKOSA-N	1	0	368.441	1.454	20	30		FDEDRO
C=CCC[C@@H](CO)NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000458708721	538635590	/nfs/dbraw/zinc/63/55/90/538635590.db2.gz	HSBVZVBXBXFGPJ-OALUTQOASA-N	1	0	361.486	1.904	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCc2n[nH]c(=O)cc2C1)C(C)C	ZINC000482744742	538640559	/nfs/dbraw/zinc/64/05/59/538640559.db2.gz	UUKFAOZUJQKNAL-QGZVFWFLSA-N	1	0	359.474	1.949	20	30		FDEDRO
Cn1ccnc1[C@H]1[C@H](CNC(=O)Cc2c(F)cccc2C#N)CC(=O)N1C	ZINC000560707947	545585933	/nfs/dbraw/zinc/58/59/33/545585933.db2.gz	YQMWLAWSPWGDEH-SCLBCKFNSA-N	1	0	369.400	1.309	20	30		FDEDRO
C[C@H]1CN(C(=O)NCC#Cc2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000485374013	538838992	/nfs/dbraw/zinc/83/89/92/538838992.db2.gz	DVXFWHDGSLDPFL-ICSRJNTNSA-N	1	0	354.498	1.706	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NCC[NH+]2CCCC2)cc1Br	ZINC000498661199	538851922	/nfs/dbraw/zinc/85/19/22/538851922.db2.gz	ITBLYZPHLFSWNR-UHFFFAOYSA-N	1	0	365.231	1.471	20	30		FDEDRO
CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000486511553	538866323	/nfs/dbraw/zinc/86/63/23/538866323.db2.gz	IEQIRCXVUYOYIT-YJBOKZPZSA-N	1	0	371.485	1.689	20	30		FDEDRO
Cc1cc(C(=O)NCC2([NH+](C)C)CCOCC2)nn1-c1cccc(C#N)c1	ZINC000506479404	538874984	/nfs/dbraw/zinc/87/49/84/538874984.db2.gz	JAXJYYWNHKQSHF-UHFFFAOYSA-N	1	0	367.453	1.893	20	30		FDEDRO
CC[C@@H](C)[N@H+](CCO)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000561925425	545984422	/nfs/dbraw/zinc/98/44/22/545984422.db2.gz	MYCNEZWFTNPCJE-CVEARBPZSA-N	1	0	364.515	1.550	20	30		FDEDRO
N#CC1(NC(=O)[C@@H]2OC[C@H]3COCC[C@@H]32)CC[NH+](Cc2ccccc2)CC1	ZINC000562291288	546079306	/nfs/dbraw/zinc/07/93/06/546079306.db2.gz	OKSNUDXUSJTBKU-CEXWTWQISA-N	1	0	369.465	1.712	20	30		FDEDRO
CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000562576602	546183857	/nfs/dbraw/zinc/18/38/57/546183857.db2.gz	OKCHMHOBMHHMDO-AWEZNQCLSA-N	1	0	366.487	1.337	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@]4(C3)CCC[NH2+]C4)n2)c(F)c1	ZINC000562761320	546257266	/nfs/dbraw/zinc/25/72/66/546257266.db2.gz	NGIUVSNICNYCLG-LJQANCHMSA-N	1	0	368.416	2.490	20	30		FDEDRO
N#Cc1cc(Oc2ccc(NC(=O)NC[C@@H]3C[NH2+]CCO3)cc2)ccn1	ZINC000562766491	546259180	/nfs/dbraw/zinc/25/91/80/546259180.db2.gz	AJPGPGLLGNQWRR-KRWDZBQOSA-N	1	0	353.382	1.855	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)NCC[C@H]3CCC[NH2+]3)C2=O)cc1	ZINC000562805732	546274864	/nfs/dbraw/zinc/27/48/64/546274864.db2.gz	ONLFBSDEKUFLSR-WBVHZDCISA-N	1	0	355.442	1.495	20	30		FDEDRO
N#Cc1cccnc1OC1CCC(NC(=O)N2CCCO[C@H](C[NH3+])C2)CC1	ZINC000562813943	546280995	/nfs/dbraw/zinc/28/09/95/546280995.db2.gz	JKNOSCYSURVHCP-OFLPRAFFSA-N	1	0	373.457	1.402	20	30		FDEDRO
COc1cc(C[NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)ccc1C#N	ZINC000563012309	546354707	/nfs/dbraw/zinc/35/47/07/546354707.db2.gz	SIDHEFIOMZBJDX-HNNXBMFYSA-N	1	0	365.389	1.314	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)C(C)C	ZINC000563232796	546458235	/nfs/dbraw/zinc/45/82/35/546458235.db2.gz	KWMWKYCRQFVBFI-CVEARBPZSA-N	1	0	372.535	1.018	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1	ZINC000563614396	546614570	/nfs/dbraw/zinc/61/45/70/546614570.db2.gz	OBYUIAMXGSMYHX-WKILWMFISA-N	1	0	356.474	1.550	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1	ZINC000563720208	546660487	/nfs/dbraw/zinc/66/04/87/546660487.db2.gz	BKCWNPBINRCCJU-BEFAXECRSA-N	1	0	359.426	1.300	20	30		FDEDRO
COc1cc(C#N)ccc1OCCN1C(=O)N[C@]2(CCCC[C@H]2C[NH3+])C1=O	ZINC000563883864	546722137	/nfs/dbraw/zinc/72/21/37/546722137.db2.gz	XPSPANSXAFNSKH-LIRRHRJNSA-N	1	0	372.425	1.385	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H](CO)c1ccc(Br)c(F)c1	ZINC000564210319	546846032	/nfs/dbraw/zinc/84/60/32/546846032.db2.gz	AVXHVHZCVYWALW-IUODEOHRSA-N	1	0	374.254	1.418	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]CCCOCC(F)(F)F)c1	ZINC000564844235	547063863	/nfs/dbraw/zinc/06/38/63/547063863.db2.gz	JEFBXUJDAVSIAB-UHFFFAOYSA-N	1	0	350.362	1.891	20	30		FDEDRO
CCOC(=O)CC[C@H](O)C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000564857475	547070076	/nfs/dbraw/zinc/07/00/76/547070076.db2.gz	TYONRZLAPLKXJM-HOTGVXAUSA-N	1	0	363.433	1.960	20	30		FDEDRO
COC(=O)c1ccc(OC[C@H](O)C[NH2+]CC#Cc2cccc(F)c2)cc1	ZINC000564869119	547074342	/nfs/dbraw/zinc/07/43/42/547074342.db2.gz	OQJQNHNGQMLKTL-GOSISDBHSA-N	1	0	357.381	1.993	20	30		FDEDRO
Cc1cccc(NC(=O)CN2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)c1C	ZINC000565830691	547498398	/nfs/dbraw/zinc/49/83/98/547498398.db2.gz	SSVWMOLYPFGHFU-QGZVFWFLSA-N	1	0	371.485	1.407	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCC(OC3CCC3)CC2)CC1	ZINC000565941429	547538427	/nfs/dbraw/zinc/53/84/27/547538427.db2.gz	SCUNFGQPFMAHAG-IBGZPJMESA-N	1	0	362.518	1.712	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCOCC(F)(F)F)nc1	ZINC000566105130	547604011	/nfs/dbraw/zinc/60/40/11/547604011.db2.gz	BNXPYJDKIHGABC-UHFFFAOYSA-N	1	0	351.350	1.286	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)cc1	ZINC000566113666	547610663	/nfs/dbraw/zinc/61/06/63/547610663.db2.gz	URHKGHZIZAFVJI-WBVHZDCISA-N	1	0	350.440	1.260	20	30		FDEDRO
CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)[C@H]1n1cccn1	ZINC000566122151	547614885	/nfs/dbraw/zinc/61/48/85/547614885.db2.gz	YSIHLNIFOCQICN-GSEOLPGOSA-N	1	0	370.453	1.697	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C#N)n2)[C@@H](C)C1	ZINC000566204042	547657267	/nfs/dbraw/zinc/65/72/67/547657267.db2.gz	DJCXQOGZRGFMRK-GOEBONIOSA-N	1	0	373.457	1.145	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1	ZINC000566232511	547672762	/nfs/dbraw/zinc/67/27/62/547672762.db2.gz	QLPUWSZKBMJUIX-NSHGMRRFSA-N	1	0	374.481	1.650	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1	ZINC000566961274	547944858	/nfs/dbraw/zinc/94/48/58/547944858.db2.gz	GHZAVYNVSCVZAO-UHFFFAOYSA-N	1	0	372.513	1.888	20	30		FDEDRO
C[N@H+](C[C@H](O)CN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1)C1CC1	ZINC000567002412	547960252	/nfs/dbraw/zinc/96/02/52/547960252.db2.gz	OKKHKFOPHDHXLD-OALUTQOASA-N	1	0	362.905	1.977	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)C1	ZINC000567247580	548050437	/nfs/dbraw/zinc/05/04/37/548050437.db2.gz	LDZINVFXTLIAFS-CJNGLKHVSA-N	1	0	358.467	1.740	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH2+]C1CCC2(CC1)NC(=O)NC2=O	ZINC000567706904	548222115	/nfs/dbraw/zinc/22/21/15/548222115.db2.gz	CRLQDMVGBFFXSX-LFDOHDQPSA-N	1	0	373.453	1.265	20	30		FDEDRO
CN(Cc1ccccc1)C(=O)C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1	ZINC000567891548	548311999	/nfs/dbraw/zinc/31/19/99/548311999.db2.gz	JFPJCISGZCQLGL-IBGZPJMESA-N	1	0	367.449	1.741	20	30		FDEDRO
CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1	ZINC000567895843	548313642	/nfs/dbraw/zinc/31/36/42/548313642.db2.gz	ZQMVQZXADVDGBJ-CQSZACIVSA-N	1	0	354.458	1.974	20	30		FDEDRO
C[C@@H]1CC[N@H+](C)CCN1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000568463685	548545385	/nfs/dbraw/zinc/54/53/85/548545385.db2.gz	WQSAMAFFHHWAMC-QAPCUYQASA-N	1	0	369.469	1.395	20	30		FDEDRO
CC(C)NC(=O)NCC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000569115124	548802297	/nfs/dbraw/zinc/80/22/97/548802297.db2.gz	REBKGAPIBHMWDR-UHFFFAOYSA-N	1	0	357.458	1.916	20	30		FDEDRO
CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+]C[C@@H]1CNc2c(C#N)cnn2C1	ZINC000569123043	548806558	/nfs/dbraw/zinc/80/65/58/548806558.db2.gz	SROCZKYXTXKRQT-KMFMINBZSA-N	1	0	355.446	1.694	20	30		FDEDRO
Cc1ccsc1[C@@H](CO)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000569286280	548861957	/nfs/dbraw/zinc/86/19/57/548861957.db2.gz	RWWNGSZCIMOZIK-CYBMUJFWSA-N	1	0	351.453	1.420	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1Br	ZINC000569457457	548925805	/nfs/dbraw/zinc/92/58/05/548925805.db2.gz	UUCFGTSLVHFMGO-RYUDHWBXSA-N	1	0	370.272	1.551	20	30		FDEDRO
N#Cc1ccc(NC(=O)NC[C@H]2C[NH2+]CCCO2)cc1Br	ZINC000569556990	548958763	/nfs/dbraw/zinc/95/87/63/548958763.db2.gz	XHHBAISLGHCNRA-GFCCVEGCSA-N	1	0	353.220	1.821	20	30		FDEDRO
C[C@H](CCNCCS(=O)(=O)c1ccc(C#N)cn1)[NH+]1CCCCC1	ZINC000569569003	548963499	/nfs/dbraw/zinc/96/34/99/548963499.db2.gz	NZESIHJEKZHNNM-OAHLLOKOSA-N	1	0	350.488	1.581	20	30		FDEDRO
COc1cc(CNC(=O)NCCCC[NH+]2CCN(C)CC2)ccc1C#N	ZINC000569635286	548990228	/nfs/dbraw/zinc/99/02/28/548990228.db2.gz	WHMKGXUSHDIFQS-UHFFFAOYSA-N	1	0	359.474	1.394	20	30		FDEDRO
CN1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[C@H](C[NH3+])C1	ZINC000569673634	549004072	/nfs/dbraw/zinc/00/40/72/549004072.db2.gz	KMRMZDGEIOGBAO-OAHLLOKOSA-N	1	0	370.482	1.712	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000570236841	549207972	/nfs/dbraw/zinc/20/79/72/549207972.db2.gz	JCISNDNKTGCVAR-DDBAPUKQSA-N	1	0	351.491	1.645	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)N(C)[C@@H]2CC[NH2+]C2)c(C#N)cn1CCOC	ZINC000570263138	549215455	/nfs/dbraw/zinc/21/54/55/549215455.db2.gz	VKBUFKBQCZWHHP-CYBMUJFWSA-N	1	0	363.418	1.008	20	30		FDEDRO
N#C[C@H]1CC[C@@H](NC(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)C1	ZINC000570273526	549219631	/nfs/dbraw/zinc/21/96/31/549219631.db2.gz	OSSPSTDGDUPETC-JKSUJKDBSA-N	1	0	357.458	1.784	20	30		FDEDRO
COC[C@]1(CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CCC[NH2+]1	ZINC000571149642	549542412	/nfs/dbraw/zinc/54/24/12/549542412.db2.gz	METVNPKOIOVDIE-HXUWFJFHSA-N	1	0	372.469	1.880	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1	ZINC000571162083	549548336	/nfs/dbraw/zinc/54/83/36/549548336.db2.gz	BRJADNALIJBZND-DLBZAZTESA-N	1	0	364.877	1.851	20	30		FDEDRO
C[NH+]1CCC2(CCCN2C(=O)C(=O)NCc2ccc(CC#N)cc2)CC1	ZINC000571282854	549591406	/nfs/dbraw/zinc/59/14/06/549591406.db2.gz	UEOKUCRBVDOWHR-UHFFFAOYSA-N	1	0	354.454	1.456	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CCN(CC(=O)NC(=O)NC3CCCC3)C2)nc1	ZINC000571380866	549622502	/nfs/dbraw/zinc/62/25/02/549622502.db2.gz	GGSZOOWGBKJEDJ-HNNXBMFYSA-N	1	0	357.414	1.175	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@H]3C[NH2+]CCC3(F)F)CC2)c1C#N	ZINC000571657018	549724420	/nfs/dbraw/zinc/72/44/20/549724420.db2.gz	IYJCHEWIRUWQBQ-LBPRGKRZSA-N	1	0	370.429	1.152	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)c1ccc(F)c(F)c1	ZINC000571659569	549726005	/nfs/dbraw/zinc/72/60/05/549726005.db2.gz	FYXPTDAUTYLXKV-WBMJQRKESA-N	1	0	351.397	1.896	20	30		FDEDRO
COc1ccc2c(c1)OC[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C2	ZINC000571670765	549729805	/nfs/dbraw/zinc/72/98/05/549729805.db2.gz	JCOGCOAEQIFTTE-MRXNPFEDSA-N	1	0	372.446	1.934	20	30		FDEDRO
C=CCCCCCNC(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1	ZINC000572374915	549900348	/nfs/dbraw/zinc/90/03/48/549900348.db2.gz	DZSXIDCMXSAZNK-UHFFFAOYSA-N	1	0	350.507	1.928	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+]	ZINC000572731355	549982010	/nfs/dbraw/zinc/98/20/10/549982010.db2.gz	QKTFJGXISCPESM-GOEBONIOSA-N	1	0	358.442	1.172	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+]	ZINC000572731356	549982145	/nfs/dbraw/zinc/98/21/45/549982145.db2.gz	QKTFJGXISCPESM-HOCLYGCPSA-N	1	0	358.442	1.172	20	30		FDEDRO
CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N(C)CC(C)(C)C#N)c2)CC1	ZINC000572863281	550013019	/nfs/dbraw/zinc/01/30/19/550013019.db2.gz	XFFDVNKXHZZKRL-UHFFFAOYSA-N	1	0	371.485	1.775	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]CCS(=O)(=O)c2ccccc2)cc1	ZINC000573084503	550059321	/nfs/dbraw/zinc/05/93/21/550059321.db2.gz	YOUBJZPNGVKOBA-KRWDZBQOSA-N	1	0	374.462	1.556	20	30		FDEDRO
N#Cc1cccnc1-n1cc(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cn1	ZINC000573783987	550210280	/nfs/dbraw/zinc/21/02/80/550210280.db2.gz	YOAHFBFEEPTHOV-QLFBSQMISA-N	1	0	351.414	1.649	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)[C@@H]2CC[NH2+]C2)cc1	ZINC000574020558	550247093	/nfs/dbraw/zinc/24/70/93/550247093.db2.gz	IHFNYTGZSFPDFV-CQSZACIVSA-N	1	0	352.460	1.319	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)C2=O)cc1	ZINC000574179039	550271615	/nfs/dbraw/zinc/27/16/15/550271615.db2.gz	QEEBLZNSKLZAMI-JZXOWHBKSA-N	1	0	367.453	1.590	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NCc2ccc(C#N)s2)CC1	ZINC000574441051	550314319	/nfs/dbraw/zinc/31/43/19/550314319.db2.gz	LYVSWSQMMCJPEZ-HNNXBMFYSA-N	1	0	361.515	1.931	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1C#N	ZINC000574465088	550318790	/nfs/dbraw/zinc/31/87/90/550318790.db2.gz	AJXFTRBANRKPRZ-SJORKVTESA-N	1	0	364.471	1.169	20	30		FDEDRO
N#Cc1ccc([C@@H](C(N)=O)N2CCC(CC[NH+]3CCOCC3)CC2)cc1	ZINC000574835759	550378604	/nfs/dbraw/zinc/37/86/04/550378604.db2.gz	HUEYJDFCQHVUKH-IBGZPJMESA-N	1	0	356.470	1.519	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)NCc1ccncc1OCC[NH+](C)C	ZINC000574939273	550396721	/nfs/dbraw/zinc/39/67/21/550396721.db2.gz	JFWZIGVDIJLCTR-UHFFFAOYSA-N	1	0	374.466	1.681	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O	ZINC000575743026	550470912	/nfs/dbraw/zinc/47/09/12/550470912.db2.gz	QNZRFGZTBWFPCZ-ZWKOTPCHSA-N	1	0	370.453	1.283	20	30		FDEDRO
N#Cc1ccc(CN2CCC(O)(C[NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1	ZINC000576468996	550552695	/nfs/dbraw/zinc/55/26/95/550552695.db2.gz	MDFSAHRRXKRSBD-UHFFFAOYSA-N	1	0	360.414	1.126	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)nc1	ZINC000576533414	550559998	/nfs/dbraw/zinc/55/99/98/550559998.db2.gz	LPHACJCVNYJIPP-UHFFFAOYSA-N	1	0	355.442	1.616	20	30		FDEDRO
N#Cc1cc(NC(=O)NC[C@H]2C[NH2+]CCCO2)ccc1OC(F)(F)F	ZINC000576609904	550568042	/nfs/dbraw/zinc/56/80/42/550568042.db2.gz	YDWCXODOXPQAMF-GFCCVEGCSA-N	1	0	358.320	1.957	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)c(F)c1	ZINC000576688905	550575520	/nfs/dbraw/zinc/57/55/20/550575520.db2.gz	TVAQHMAICCBJSC-GVDBMIGSSA-N	1	0	371.460	1.917	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCc2ccc(CC#N)cc2)CC1=O	ZINC000576827166	550590339	/nfs/dbraw/zinc/59/03/39/550590339.db2.gz	WDBOSAIICFYIKN-RBUKOAKNSA-N	1	0	368.481	1.702	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCOc2ccc(F)cc2)nc1	ZINC000577097353	550620175	/nfs/dbraw/zinc/62/01/75/550620175.db2.gz	DBZSSQPXKXRELU-UHFFFAOYSA-N	1	0	363.414	1.925	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CC2(CCO)CCCCC2)nc1	ZINC000577177725	550628917	/nfs/dbraw/zinc/62/89/17/550628917.db2.gz	CRXNSFHUXVZZGB-UHFFFAOYSA-N	1	0	351.472	1.649	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]CCN2CCc3ccccc3C2)c1	ZINC000577233403	550635305	/nfs/dbraw/zinc/63/53/05/550635305.db2.gz	NCYFJRRYGRFTKI-UHFFFAOYSA-N	1	0	369.490	1.980	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1	ZINC000577836078	550699954	/nfs/dbraw/zinc/69/99/54/550699954.db2.gz	HPCUDZGWIONWJB-UHFFFAOYSA-N	1	0	373.457	1.489	20	30		FDEDRO
CC[C@@H]1Oc2cc([C@H](C)[NH2+]C[C@H](O)CN(C)CCC#N)ccc2NC1=O	ZINC000578006515	550717881	/nfs/dbraw/zinc/71/78/81/550717881.db2.gz	ICJBXDLRDXIWCU-QRTARXTBSA-N	1	0	360.458	1.653	20	30		FDEDRO
C=CCC[C@H](CO)NC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000578038318	550721792	/nfs/dbraw/zinc/72/17/92/550721792.db2.gz	QLNUGODTHCJPMM-RTBURBONSA-N	1	0	360.502	1.601	20	30		FDEDRO
C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cccc(Br)c2C#N)C1	ZINC000578069647	550725316	/nfs/dbraw/zinc/72/53/16/550725316.db2.gz	OJBQDDMMJUMJCB-NSHDSACASA-N	1	0	372.288	1.941	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1	ZINC000578768341	550799985	/nfs/dbraw/zinc/79/99/85/550799985.db2.gz	UBHPXJQKPUCVIM-CZUORRHYSA-N	1	0	353.426	1.367	20	30		FDEDRO
Cc1cc(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)nc(N2CCCC2)n1	ZINC000578996501	550824430	/nfs/dbraw/zinc/82/44/30/550824430.db2.gz	NAGAQMORMMGCRJ-GOSISDBHSA-N	1	0	367.453	1.786	20	30		FDEDRO
C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCc1ccc(CC#N)cc1	ZINC000579107843	550836350	/nfs/dbraw/zinc/83/63/50/550836350.db2.gz	GLRPEMCGTJCLEB-BRWVUGGUSA-N	1	0	370.497	1.851	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)NCc1ccncc1OCC[NH+](C)C	ZINC000579277300	550855481	/nfs/dbraw/zinc/85/54/81/550855481.db2.gz	YUFOEVUWZTTWDI-UHFFFAOYSA-N	1	0	374.466	1.681	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](Oc3ccccc3)C2)CC1	ZINC000579351708	550864131	/nfs/dbraw/zinc/86/41/31/550864131.db2.gz	BMAZOKZAWCBHRZ-SFHVURJKSA-N	1	0	357.454	1.433	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]CCc2cn3c(n2)CCCC3)cc1	ZINC000580065127	550939107	/nfs/dbraw/zinc/93/91/07/550939107.db2.gz	KMCKNSLZPMJDNA-SFHVURJKSA-N	1	0	354.454	1.857	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(c2cnccc2C#N)CC1	ZINC000580271032	550960821	/nfs/dbraw/zinc/96/08/21/550960821.db2.gz	JIRBQWDYEQDSMR-SJORKVTESA-N	1	0	370.501	1.905	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1	ZINC000580283807	550961851	/nfs/dbraw/zinc/96/18/51/550961851.db2.gz	KPJLORXXTOSAKA-CVEARBPZSA-N	1	0	367.471	1.199	20	30		FDEDRO
CC1CC[NH+](C[C@@H](O)CNCCS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000580327329	550967966	/nfs/dbraw/zinc/96/79/66/550967966.db2.gz	HPAUJLRJVGOERL-KRWDZBQOSA-N	1	0	365.499	1.014	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@@H]3C[C@H]3C3CC[NH2+]CC3)C2)nc1	ZINC000580823728	551022237	/nfs/dbraw/zinc/02/22/37/551022237.db2.gz	LETBJMXSRXBJNK-IXDOHACOSA-N	1	0	355.442	1.504	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000580902116	551031201	/nfs/dbraw/zinc/03/12/01/551031201.db2.gz	GVQHFAGIOZZFRZ-QGZVFWFLSA-N	1	0	354.454	1.507	20	30		FDEDRO
Cn1nccc1[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CCO1	ZINC000581306086	551074227	/nfs/dbraw/zinc/07/42/27/551074227.db2.gz	NTSMPJLBWWVDLF-MDZRGWNJSA-N	1	0	356.426	1.541	20	30		FDEDRO
C[NH2+]CCSCC(=O)N1CCN([C@@H](C#N)c2ccc(OC)cc2)CC1	ZINC000581605974	551111162	/nfs/dbraw/zinc/11/11/62/551111162.db2.gz	JXRAZLDKYAETRA-KRWDZBQOSA-N	1	0	362.499	1.357	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](C)C1(S(C)(=O)=O)CC1	ZINC000581662957	551118996	/nfs/dbraw/zinc/11/89/96/551118996.db2.gz	ILSMPSQCUZOHSO-GDBMZVCRSA-N	1	0	353.484	1.710	20	30		FDEDRO
C[C@H]1CCC[C@](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)(N(C)C)C1	ZINC000581849187	551140173	/nfs/dbraw/zinc/14/01/73/551140173.db2.gz	DPOUZFUKZYHXRJ-YJBOKZPZSA-N	1	0	364.515	1.827	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1	ZINC000581881835	551144663	/nfs/dbraw/zinc/14/46/63/551144663.db2.gz	NJRVKTLSAYBLGY-TZMCWYRMSA-N	1	0	363.849	1.933	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]C[C@@]3(CO)C[C@H]3c3ccc(F)cc3)cnc12	ZINC000582665774	551253667	/nfs/dbraw/zinc/25/36/67/551253667.db2.gz	AGWZWBRQGLRXQX-PKOBYXMFSA-N	1	0	351.385	1.996	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@@H](n4ccnn4)C3)C2=O)cc1	ZINC000582901715	551279182	/nfs/dbraw/zinc/27/91/82/551279182.db2.gz	GVXLMTVJMLKAFS-QZTJIDSGSA-N	1	0	350.426	1.982	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)CC1	ZINC000583556157	551368698	/nfs/dbraw/zinc/36/86/98/551368698.db2.gz	IPXUYBWXUAUQQP-CQSZACIVSA-N	1	0	364.412	1.199	20	30		FDEDRO
N#Cc1cccc(F)c1CC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1	ZINC000583583991	551373157	/nfs/dbraw/zinc/37/31/57/551373157.db2.gz	OVIIATMBEACUJJ-GOSISDBHSA-N	1	0	367.424	1.775	20	30		FDEDRO
CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000583626572	551378707	/nfs/dbraw/zinc/37/87/07/551378707.db2.gz	WYYMLDXPPBXUNP-KZNAEPCWSA-N	1	0	359.470	1.971	20	30		FDEDRO
CCC(CC)[C@H](CNS(=O)(=O)CC1(CC#N)CC1)N1CCOCC1	ZINC000583837876	551408725	/nfs/dbraw/zinc/40/87/25/551408725.db2.gz	GUHJDATZVBDEBM-INIZCTEOSA-N	1	0	357.520	1.737	20	30		FDEDRO
CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000584106996	551448056	/nfs/dbraw/zinc/44/80/56/551448056.db2.gz	AOTYATLTCKENEV-ZWKOTPCHSA-N	1	0	369.469	1.789	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000584167156	551457638	/nfs/dbraw/zinc/45/76/38/551457638.db2.gz	XGHWZWNLDMYACF-OAHLLOKOSA-N	1	0	350.444	1.431	20	30		FDEDRO
C[NH+](C)CC1CCC(NC(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1	ZINC000584279941	551474204	/nfs/dbraw/zinc/47/42/04/551474204.db2.gz	BKCIQIQOPOMTHQ-UHFFFAOYSA-N	1	0	354.454	1.684	20	30		FDEDRO
CC[N@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)[C@@H]1CCOC1	ZINC000584563632	551517693	/nfs/dbraw/zinc/51/76/93/551517693.db2.gz	GGUKLSKEAYVQCB-RTBURBONSA-N	1	0	374.460	1.645	20	30		FDEDRO
C=C(C)CN1CCC([NH2+]C[C@@H](O)COc2ccc(C(=O)OC)cc2)CC1	ZINC000584834318	551556564	/nfs/dbraw/zinc/55/65/64/551556564.db2.gz	JFEMWGFBIBROAE-GOSISDBHSA-N	1	0	362.470	1.843	20	30		FDEDRO
C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NCc2ccc(C#N)cc2F)C1	ZINC000585717287	551587028	/nfs/dbraw/zinc/58/70/28/551587028.db2.gz	HXUHOHNFQKOCIA-GASCZTMLSA-N	1	0	374.460	1.798	20	30		FDEDRO
C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NCc2ccc(C#N)cc2F)C1	ZINC000585721301	551587418	/nfs/dbraw/zinc/58/74/18/551587418.db2.gz	RAKRNRDWFYXZPR-OAHLLOKOSA-N	1	0	374.460	1.942	20	30		FDEDRO
CC(=O)N1CCN([C@H]2CN(C(=O)Cc3c(F)cccc3C#N)C[C@@H]2C)CC1	ZINC000586795105	551620110	/nfs/dbraw/zinc/62/01/10/551620110.db2.gz	YZBOYBZHUOBMQU-LIRRHRJNSA-N	1	0	372.444	1.251	20	30		FDEDRO
CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)C1	ZINC000586860502	551626983	/nfs/dbraw/zinc/62/69/83/551626983.db2.gz	HXMZUZALJSCDIG-OAHLLOKOSA-N	1	0	360.433	1.504	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c(F)c1	ZINC000586863942	551627453	/nfs/dbraw/zinc/62/74/53/551627453.db2.gz	FIPYWGMAQHQGCM-MRXNPFEDSA-N	1	0	358.417	1.400	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)c(F)c1	ZINC000586863012	551627599	/nfs/dbraw/zinc/62/75/99/551627599.db2.gz	HADQLNDRMMIRFR-UHFFFAOYSA-N	1	0	358.417	1.400	20	30		FDEDRO
C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCc1ccc(C#N)cc1F	ZINC000586864225	551627966	/nfs/dbraw/zinc/62/79/66/551627966.db2.gz	OJKICWXRLJOGKF-CYBMUJFWSA-N	1	0	360.433	1.502	20	30		FDEDRO
CC[NH+]1CCC(CCNC(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)CC1	ZINC000587665673	551633524	/nfs/dbraw/zinc/63/35/24/551633524.db2.gz	QTTCMWLPZLXDNJ-HNNXBMFYSA-N	1	0	356.470	1.974	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)CC1	ZINC000587731472	551635067	/nfs/dbraw/zinc/63/50/67/551635067.db2.gz	PAYNPKURUCQRBR-HNNXBMFYSA-N	1	0	354.454	1.892	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1cccc(C#N)c1	ZINC000587730429	551635202	/nfs/dbraw/zinc/63/52/02/551635202.db2.gz	NCHDEEFXZSVLTN-CRAIPNDOSA-N	1	0	354.454	1.822	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2CC(N)=O)c(OC)c1	ZINC000588900173	551697636	/nfs/dbraw/zinc/69/76/36/551697636.db2.gz	KVBFTCDKXDYGTO-IAGOWNOFSA-N	1	0	362.470	1.893	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)c2cccc(C#N)n2)CC1	ZINC000589444677	551730813	/nfs/dbraw/zinc/73/08/13/551730813.db2.gz	DMVQVMGZPPYITQ-UHFFFAOYSA-N	1	0	357.458	1.310	20	30		FDEDRO
N#Cc1cccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)n1	ZINC000589460962	551731945	/nfs/dbraw/zinc/73/19/45/551731945.db2.gz	IKFORTADCKQDKJ-SFHVURJKSA-N	1	0	350.422	1.974	20	30		FDEDRO
C[C@H](NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)C1CC[NH+](C)CC1	ZINC000589886955	551749265	/nfs/dbraw/zinc/74/92/65/551749265.db2.gz	VDMQESVPICVWIJ-WMLDXEAASA-N	1	0	357.458	1.846	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@]3(C2)CCC[N@H+](C)C3)CC1	ZINC000590193169	551764018	/nfs/dbraw/zinc/76/40/18/551764018.db2.gz	ICUJGRFCDSYLTE-AZUAARDMSA-N	1	0	361.534	1.096	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21	ZINC000590279974	551769352	/nfs/dbraw/zinc/76/93/52/551769352.db2.gz	FSDATZSNVITQFO-GDBMZVCRSA-N	1	0	356.426	1.446	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccn(-c2cccc(C#N)c2)n1	ZINC000590402396	551780790	/nfs/dbraw/zinc/78/07/90/551780790.db2.gz	STQUGOOZPWBUFW-RBUKOAKNSA-N	1	0	365.437	1.679	20	30		FDEDRO
COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1	ZINC000590550245	551790910	/nfs/dbraw/zinc/79/09/10/551790910.db2.gz	OMPXLVQBMOZLOY-DLBZAZTESA-N	1	0	373.453	1.393	20	30		FDEDRO
COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1	ZINC000590550254	551790994	/nfs/dbraw/zinc/79/09/94/551790994.db2.gz	OMPXLVQBMOZLOY-IRXDYDNUSA-N	1	0	373.453	1.393	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)[C@H]2C1	ZINC000590785867	551816658	/nfs/dbraw/zinc/81/66/58/551816658.db2.gz	MFVZRPUYQZEWMC-CJNGLKHVSA-N	1	0	370.453	1.837	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCCC[NH2+]2)cc1	ZINC000591301840	551858249	/nfs/dbraw/zinc/85/82/49/551858249.db2.gz	QYRRDRVLVCHKEQ-JSGCOSHPSA-N	1	0	350.444	1.636	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)c(F)c1	ZINC000591388860	551867314	/nfs/dbraw/zinc/86/73/14/551867314.db2.gz	OCPRTJGLFRBART-SJLPKXTDSA-N	1	0	372.444	1.694	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1	ZINC000591572814	551880669	/nfs/dbraw/zinc/88/06/69/551880669.db2.gz	AYFOYAKNJWRIMG-MOPGFXCFSA-N	1	0	368.481	1.755	20	30		FDEDRO
C=CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1	ZINC000591611589	551884454	/nfs/dbraw/zinc/88/44/54/551884454.db2.gz	AGAFFRSLQKCZRV-QZTJIDSGSA-N	1	0	374.533	1.574	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1	ZINC000591759687	551906664	/nfs/dbraw/zinc/90/66/64/551906664.db2.gz	UGDPGHPXEVAYPC-DLBZAZTESA-N	1	0	372.448	1.195	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O	ZINC000591763719	551906857	/nfs/dbraw/zinc/90/68/57/551906857.db2.gz	DWJAODAFCQGYGX-BEFAXECRSA-N	1	0	361.401	1.792	20	30		FDEDRO
CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@](O)(CC#N)C1)Cc1ccccc1	ZINC000591912605	551915950	/nfs/dbraw/zinc/91/59/50/551915950.db2.gz	QCYYCSHDEPKFJA-QUCCMNQESA-N	1	0	358.486	2.000	20	30		FDEDRO
C[NH+]1CCN(C[C@H](NC(=O)N2CC[C@@](O)(CC#N)C2)c2ccccc2)CC1	ZINC000591946987	551919394	/nfs/dbraw/zinc/91/93/94/551919394.db2.gz	FTIUQYYCSGHGQG-ICSRJNTNSA-N	1	0	371.485	1.035	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN(S(=O)(=O)Cc1ccc(CC#N)cc1)CCO2	ZINC000592104205	551942162	/nfs/dbraw/zinc/94/21/62/551942162.db2.gz	ORAWHEOZKGODCC-UHFFFAOYSA-N	1	0	363.483	1.379	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN(C[C@@H](O)COc1ccc(CC#N)cc1)CCO2	ZINC000592182186	551954827	/nfs/dbraw/zinc/95/48/27/551954827.db2.gz	LGRSNMYBFZLZBP-GOSISDBHSA-N	1	0	359.470	1.289	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN([C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCO2	ZINC000592184715	551955136	/nfs/dbraw/zinc/95/51/36/551955136.db2.gz	NNVPBXAPIFQCBF-IBGZPJMESA-N	1	0	368.481	1.850	20	30		FDEDRO
CN(C(=O)C(=O)Nc1cccc(C#N)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000592287967	551973083	/nfs/dbraw/zinc/97/30/83/551973083.db2.gz	ZTQAKQUCOHZGCL-KRWDZBQOSA-N	1	0	363.421	1.625	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCc2ccc(CC#N)cc2)C1	ZINC000592339275	551981963	/nfs/dbraw/zinc/98/19/63/551981963.db2.gz	NAIZMNXHWCWVKL-IBGZPJMESA-N	1	0	370.497	1.853	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C1CC1)C1CC[NH2+]CC1	ZINC000592365247	551985125	/nfs/dbraw/zinc/98/51/25/551985125.db2.gz	LZFKWNZGGXYMDF-UHFFFAOYSA-N	1	0	350.400	1.372	20	30		FDEDRO
C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CCO1	ZINC000592373981	551985726	/nfs/dbraw/zinc/98/57/26/551985726.db2.gz	FXDORDOMZRKWNN-NOZJJQNGSA-N	1	0	374.260	1.057	20	30		FDEDRO
N#CCc1ccc(CS(=O)(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1	ZINC000592393182	551988723	/nfs/dbraw/zinc/98/87/23/551988723.db2.gz	ROGCWBUKOKWOQZ-QGZVFWFLSA-N	1	0	363.483	1.270	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](CO)Cc2ccc(F)cc2)cc1	ZINC000592431581	551994302	/nfs/dbraw/zinc/99/43/02/551994302.db2.gz	LECWEJVABCPZCT-QGZVFWFLSA-N	1	0	362.426	1.664	20	30		FDEDRO
COCCOCCN1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1	ZINC000593119168	552064501	/nfs/dbraw/zinc/06/45/01/552064501.db2.gz	YHNVYISINLARGX-UHFFFAOYSA-N	1	0	360.458	1.167	20	30		FDEDRO
CCNC(=O)[C@@H](C)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593298689	552085220	/nfs/dbraw/zinc/08/52/20/552085220.db2.gz	BVTFSPQDODUGBN-CQSZACIVSA-N	1	0	357.458	1.346	20	30		FDEDRO
CC(=O)N1CCC[C@@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000593352321	552094686	/nfs/dbraw/zinc/09/46/86/552094686.db2.gz	GFJAHLUYXHKJLJ-LJQANCHMSA-N	1	0	368.481	1.897	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NCc3ccc(=O)[nH]n3)CC2)c1	ZINC000593409172	552104291	/nfs/dbraw/zinc/10/42/91/552104291.db2.gz	MSUQJGIHIAHSGN-UHFFFAOYSA-N	1	0	366.425	1.518	20	30		FDEDRO
CC(C)C[N@H+](C)CCCNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000593421724	552106192	/nfs/dbraw/zinc/10/61/92/552106192.db2.gz	BYDOZZLNCIIZQF-MRXNPFEDSA-N	1	0	373.505	1.546	20	30		FDEDRO
C[C@H]1CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@H]1CO	ZINC000593514644	552120849	/nfs/dbraw/zinc/12/08/49/552120849.db2.gz	XSBSHIXKHNGBBS-KXBFYZLASA-N	1	0	356.470	1.935	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccsc1C#N	ZINC000593566456	552136371	/nfs/dbraw/zinc/13/63/71/552136371.db2.gz	HLMINEXKPHKPOX-FRRDWIJNSA-N	1	0	355.485	1.492	20	30		FDEDRO
CC(C)(C#N)c1ccc(S(=O)(=O)N[C@H]2CCCN(CCCO)C2)cc1	ZINC000593602085	552149042	/nfs/dbraw/zinc/14/90/42/552149042.db2.gz	CXRIPFRUXKSEPS-INIZCTEOSA-N	1	0	365.499	1.613	20	30		FDEDRO
COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC1(C#N)CCCC1	ZINC000593672573	552170803	/nfs/dbraw/zinc/17/08/03/552170803.db2.gz	FSYUNWVWDIBKBU-UHFFFAOYSA-N	1	0	358.442	1.895	20	30		FDEDRO
CC[C@H](C#N)C(=O)Nc1cccc(S(=O)(=O)NCCCC[NH+](C)C)c1	ZINC000593690835	552175015	/nfs/dbraw/zinc/17/50/15/552175015.db2.gz	ZUPFFOYTWVLCJV-CQSZACIVSA-N	1	0	366.487	1.795	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NCc3ccc(C[NH3+])cc3F)CC2)nc1	ZINC000593721323	552182495	/nfs/dbraw/zinc/18/24/95/552182495.db2.gz	HIHUGSOXPZWBAA-UHFFFAOYSA-N	1	0	368.416	1.583	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1	ZINC000593767861	552194655	/nfs/dbraw/zinc/19/46/55/552194655.db2.gz	WCJOGGFSCPEEEG-JZXOWHBKSA-N	1	0	370.453	1.550	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)C[C@@H]3CCC(=O)NC3)CC2)c1	ZINC000593885681	552217310	/nfs/dbraw/zinc/21/73/10/552217310.db2.gz	KSKYTXXJLXHIRP-INIZCTEOSA-N	1	0	354.454	1.555	20	30		FDEDRO
Cc1nc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c(=O)[nH]c1C	ZINC000593886543	552217796	/nfs/dbraw/zinc/21/77/96/552217796.db2.gz	QMLOHTQBINXUFR-UHFFFAOYSA-N	1	0	365.437	1.653	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)c1	ZINC000593886504	552217840	/nfs/dbraw/zinc/21/78/40/552217840.db2.gz	OYXSQFJQIONFMW-UHFFFAOYSA-N	1	0	354.370	1.584	20	30		FDEDRO
COCC[N@H+](CCC(=O)Nc1ccccc1C#N)C[C@@H](O)C(F)(F)F	ZINC000594018391	552238713	/nfs/dbraw/zinc/23/87/13/552238713.db2.gz	WOFGCNRNWCISLD-CQSZACIVSA-N	1	0	359.348	1.758	20	30		FDEDRO
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000594025859	552240557	/nfs/dbraw/zinc/24/05/57/552240557.db2.gz	UDUHGIGBDXOZEJ-OWCLPIDISA-N	1	0	374.510	1.770	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1	ZINC000594026700	552240717	/nfs/dbraw/zinc/24/07/17/552240717.db2.gz	IIUJNFMWWWDRDU-YSIASYRMSA-N	1	0	370.497	1.689	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C	ZINC000594262522	552272874	/nfs/dbraw/zinc/27/28/74/552272874.db2.gz	QENOAAMXUQJYNB-QFBILLFUSA-N	1	0	370.497	1.796	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000594285975	552278336	/nfs/dbraw/zinc/27/83/36/552278336.db2.gz	DASAORDTPBMLRQ-MRXNPFEDSA-N	1	0	370.497	1.796	20	30		FDEDRO
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1	ZINC000594311364	552284602	/nfs/dbraw/zinc/28/46/02/552284602.db2.gz	DABATEUCSSLCOJ-FZNQNYSPSA-N	1	0	358.442	1.764	20	30		FDEDRO
C=CCOC[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)C(=O)OC	ZINC000594351176	552294115	/nfs/dbraw/zinc/29/41/15/552294115.db2.gz	GUTFPHWFUUNMGG-GJZGRUSLSA-N	1	0	356.488	1.064	20	30		FDEDRO
CNS(=O)(=O)c1ccc([C@H](C)NC(=O)[C@@H]([NH3+])CCCCC#N)cc1	ZINC000594431393	552308872	/nfs/dbraw/zinc/30/88/72/552308872.db2.gz	LODISYBUKKKRPP-WFASDCNBSA-N	1	0	352.460	1.183	20	30		FDEDRO
C[C@](NC(=O)[C@H]([NH3+])CCCCC#N)(C(N)=O)c1cccc(C(F)(F)F)c1	ZINC000594433325	552309117	/nfs/dbraw/zinc/30/91/17/552309117.db2.gz	NPRFWKISJMAHQN-CZUORRHYSA-N	1	0	370.375	1.933	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1	ZINC000594432080	552309287	/nfs/dbraw/zinc/30/92/87/552309287.db2.gz	XEKBOZUFYNQNPY-ROUUACIJSA-N	1	0	372.469	1.623	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1	ZINC000594436562	552309810	/nfs/dbraw/zinc/30/98/10/552309810.db2.gz	KLWCQXYPHNQMPV-AWEZNQCLSA-N	1	0	361.450	1.030	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O	ZINC000594445615	552312238	/nfs/dbraw/zinc/31/22/38/552312238.db2.gz	JCNRHFPAVUXQAD-KGLIPLIRSA-N	1	0	350.369	1.598	20	30		FDEDRO
C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)[C@@H]([NH3+])CCCCC#N	ZINC000594455615	552314228	/nfs/dbraw/zinc/31/42/28/552314228.db2.gz	ADDKTEDVYQVSJK-HOCLYGCPSA-N	1	0	366.487	1.271	20	30		FDEDRO
N#Cc1c(F)cccc1N1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1	ZINC000594525383	552327771	/nfs/dbraw/zinc/32/77/71/552327771.db2.gz	QKSCZUNGDPEEBF-CYBMUJFWSA-N	1	0	359.327	1.419	20	30		FDEDRO
N#Cc1cccc(-n2cc(CN3CCC([NH2+]C4CCOCC4)CC3)nn2)c1	ZINC000594651724	552349485	/nfs/dbraw/zinc/34/94/85/552349485.db2.gz	JNOLUYPBZOXFTM-UHFFFAOYSA-N	1	0	366.469	1.872	20	30		FDEDRO
Cn1ncnc1Cn1c2c(cc(C#N)c1=O)C[N@@H+](Cc1ccccc1)CC2	ZINC000594929779	552424562	/nfs/dbraw/zinc/42/45/62/552424562.db2.gz	ZLNHFGLQAFFPPW-UHFFFAOYSA-N	1	0	360.421	1.455	20	30		FDEDRO
Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCCN1CC[NH2+]CC1	ZINC000595104579	552451361	/nfs/dbraw/zinc/45/13/61/552451361.db2.gz	KYPKAVRYPFYUKK-UHFFFAOYSA-N	1	0	364.496	1.265	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C	ZINC000595106004	552452296	/nfs/dbraw/zinc/45/22/96/552452296.db2.gz	GLYDMKREADWBRF-HNNXBMFYSA-N	1	0	359.474	1.193	20	30		FDEDRO
C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000595106775	552452863	/nfs/dbraw/zinc/45/28/63/552452863.db2.gz	LEBIZPJDAXJDFC-ZDUSSCGKSA-N	1	0	363.437	1.024	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1	ZINC000595116543	552455962	/nfs/dbraw/zinc/45/59/62/552455962.db2.gz	RPDUVHIFFFEEDC-MRXNPFEDSA-N	1	0	363.483	1.967	20	30		FDEDRO
C[C@@H](CCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)[NH+](C)C	ZINC000595126194	552459471	/nfs/dbraw/zinc/45/94/71/552459471.db2.gz	VRUHUJMDTUJIPX-JTQLQIEISA-N	1	0	367.247	1.716	20	30		FDEDRO
C[NH+](C)CCN(CCCc1ccccc1)C(=O)C(=O)N1CC[C@@](C)(C#N)C1	ZINC000595145709	552467059	/nfs/dbraw/zinc/46/70/59/552467059.db2.gz	DVRTYJWMMLWBAE-NRFANRHFSA-N	1	0	370.497	1.772	20	30		FDEDRO
C[C@]1(C#N)CCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1	ZINC000595168770	552475397	/nfs/dbraw/zinc/47/53/97/552475397.db2.gz	DMHQIWKDWRNSPS-LVCYWYKZSA-N	1	0	366.465	1.339	20	30		FDEDRO
COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@](C)(C#N)C2)c1	ZINC000595172927	552477262	/nfs/dbraw/zinc/47/72/62/552477262.db2.gz	HWIMITKKFYBRBN-HXUWFJFHSA-N	1	0	372.469	1.348	20	30		FDEDRO
CN(C(=O)C(=O)N1CC[C@](C)(C#N)C1)C1CC[NH+](CCC(F)(F)F)CC1	ZINC000595187271	552483118	/nfs/dbraw/zinc/48/31/18/552483118.db2.gz	CMUKJHJHKIRFEB-MRXNPFEDSA-N	1	0	374.407	1.624	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)Nc2sccc2C#N)CCO1	ZINC000595234880	552500596	/nfs/dbraw/zinc/50/05/96/552500596.db2.gz	IBUIEIBNINNAFU-CYBMUJFWSA-N	1	0	350.444	1.127	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)NC1(CN2CCN(c3ccccc3)CC2)CC1	ZINC000595257031	552506363	/nfs/dbraw/zinc/50/63/63/552506363.db2.gz	HFGBPMQKEFDDAY-IBGZPJMESA-N	1	0	369.513	1.869	20	30		FDEDRO
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1	ZINC000595275372	552509769	/nfs/dbraw/zinc/50/97/69/552509769.db2.gz	LPKNPNGTLSGJKA-HOTGVXAUSA-N	1	0	366.425	1.622	20	30		FDEDRO
N#CCc1ccc(CS(=O)(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1	ZINC000595383691	552543465	/nfs/dbraw/zinc/54/34/65/552543465.db2.gz	CFNSAEAODQKPLP-SFHVURJKSA-N	1	0	363.483	1.113	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2cc(C#N)ccc2Cl)CCO1	ZINC000595403108	552550782	/nfs/dbraw/zinc/55/07/82/552550782.db2.gz	BPESNJJGMVDWDS-AWEZNQCLSA-N	1	0	371.890	1.943	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2cccc(CC#N)c2)CCO1	ZINC000595405552	552552196	/nfs/dbraw/zinc/55/21/96/552552196.db2.gz	YAQILQXMAJXHEV-MRXNPFEDSA-N	1	0	351.472	1.484	20	30		FDEDRO
C=CCCSCCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1	ZINC000595442070	552561005	/nfs/dbraw/zinc/56/10/05/552561005.db2.gz	OWVVPDWKZCMXIE-UHFFFAOYSA-N	1	0	363.531	1.942	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1	ZINC000595470729	552568062	/nfs/dbraw/zinc/56/80/62/552568062.db2.gz	QYSCZWJGDZDDOJ-UXHICEINSA-N	1	0	373.497	1.679	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CCC[C@H](CC#N)C2)c1	ZINC000595487291	552571163	/nfs/dbraw/zinc/57/11/63/552571163.db2.gz	GBZCFSYQMHKHFD-MRXNPFEDSA-N	1	0	371.485	1.813	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@]3(CC[N@H+](C)C3)C2)CC1	ZINC000595505438	552574300	/nfs/dbraw/zinc/57/43/00/552574300.db2.gz	UGQZAICUWLTGEL-AZUAARDMSA-N	1	0	361.534	1.096	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](Cn2ccnn2)C1	ZINC000595607943	552591552	/nfs/dbraw/zinc/59/15/52/552591552.db2.gz	LXFAZFWYAXINQN-DLBZAZTESA-N	1	0	352.442	1.935	20	30		FDEDRO
N#Cc1ccc(CCNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1	ZINC000595687822	552602989	/nfs/dbraw/zinc/60/29/89/552602989.db2.gz	MGAUGQCQZDUQAA-IBGZPJMESA-N	1	0	356.470	1.855	20	30		FDEDRO
N#Cc1ccc(CCNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1	ZINC000595695146	552603428	/nfs/dbraw/zinc/60/34/28/552603428.db2.gz	OXFQIYAPGOYCDE-OALUTQOASA-N	1	0	356.470	1.778	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1	ZINC000595694392	552603555	/nfs/dbraw/zinc/60/35/55/552603555.db2.gz	XMPJOYUYSYSFNN-LSDHHAIUSA-N	1	0	371.489	1.441	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CCO)CC1	ZINC000595698503	552604011	/nfs/dbraw/zinc/60/40/11/552604011.db2.gz	MPOHDZPTWMAGPV-KURKYZTESA-N	1	0	350.507	1.162	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595725692	552607049	/nfs/dbraw/zinc/60/70/49/552607049.db2.gz	HLYWGHMQMUDOKJ-UHFFFAOYSA-N	1	0	352.442	1.549	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)C[C@H](C)O1	ZINC000595772140	552613510	/nfs/dbraw/zinc/61/35/10/552613510.db2.gz	FCPGBSGYFDZRCJ-IYBDPMFKSA-N	1	0	357.454	1.789	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000595806973	552618131	/nfs/dbraw/zinc/61/81/31/552618131.db2.gz	NPMULKKKMGZJJV-WMZOPIPTSA-N	1	0	369.469	1.837	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1	ZINC000595808055	552618624	/nfs/dbraw/zinc/61/86/24/552618624.db2.gz	RTHHIPSTHUAQKY-LSDHHAIUSA-N	1	0	357.462	1.053	20	30		FDEDRO
CC(C)NC(=O)[C@H]1CCCN(CCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000595851424	552623698	/nfs/dbraw/zinc/62/36/98/552623698.db2.gz	SKVGCNMDOKGXKD-INIZCTEOSA-N	1	0	363.483	1.569	20	30		FDEDRO
N#Cc1ccc(-c2nnc(CN3CCC([N@@H+]4CC[C@H](O)C4)CC3)o2)cc1	ZINC000595864805	552625579	/nfs/dbraw/zinc/62/55/79/552625579.db2.gz	CXPFJXVBEPHAOO-KRWDZBQOSA-N	1	0	353.426	1.639	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000595904187	552631158	/nfs/dbraw/zinc/63/11/58/552631158.db2.gz	ACZJMOKWQFGQPI-IAGOWNOFSA-N	1	0	350.507	1.760	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(CCC(=O)Nc2sccc2C#N)CCO1	ZINC000595905886	552631453	/nfs/dbraw/zinc/63/14/53/552631453.db2.gz	WYRLEYYJNATFAT-OAHLLOKOSA-N	1	0	350.488	1.991	20	30		FDEDRO
C[C@@]1(NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC[NH2+]C1	ZINC000596129928	552658456	/nfs/dbraw/zinc/65/84/56/552658456.db2.gz	SRBHMYYXASZFGN-CQSZACIVSA-N	1	0	351.204	1.127	20	30		FDEDRO
C[NH+]1CCC(CNc2nc3ncccc3cc2C#N)(N2CCOCC2)CC1	ZINC000596270868	552669746	/nfs/dbraw/zinc/66/97/46/552669746.db2.gz	TYYGMPBVCZDMNJ-UHFFFAOYSA-N	1	0	366.469	1.710	20	30		FDEDRO
N#Cc1sccc1N1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1	ZINC000596353025	552675317	/nfs/dbraw/zinc/67/53/17/552675317.db2.gz	RQOLPPIXIYCYDE-UHFFFAOYSA-N	1	0	352.427	1.504	20	30		FDEDRO
CCN(C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CC[N@H+](C)C1	ZINC000596581999	552691481	/nfs/dbraw/zinc/69/14/81/552691481.db2.gz	CJOFWGOUCZKYCF-QZTJIDSGSA-N	1	0	369.469	1.395	20	30		FDEDRO
COc1cc(CNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)ccc1C#N	ZINC000596605497	552693839	/nfs/dbraw/zinc/69/38/39/552693839.db2.gz	UAYXAMXHBPTRTA-HNNXBMFYSA-N	1	0	361.490	1.638	20	30		FDEDRO
C=CCCSCCNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000596718119	552704608	/nfs/dbraw/zinc/70/46/08/552704608.db2.gz	WIKSQOJWUZEXGB-IAGOWNOFSA-N	1	0	354.564	1.963	20	30		FDEDRO
C=CCCSCCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000596717350	552704624	/nfs/dbraw/zinc/70/46/24/552704624.db2.gz	MHJAFSLKFOPOJK-OAHLLOKOSA-N	1	0	354.520	1.244	20	30		FDEDRO
CCN(C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1)[C@@H]1CC[N@H+](C)C1	ZINC000596877287	552720233	/nfs/dbraw/zinc/72/02/33/552720233.db2.gz	PIXXEHBLUZANAG-DZGCQCFKSA-N	1	0	364.471	1.930	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)c1ccc(C#N)cc1	ZINC000597183685	552758817	/nfs/dbraw/zinc/75/88/17/552758817.db2.gz	COQGWXGPNZZGKE-OAHLLOKOSA-N	1	0	368.481	1.974	20	30		FDEDRO
CC(C)(C)OC(=O)[C@]12COC[C@H]1C[N@H+](Cc1cnc3ccc(C#N)cn13)C2	ZINC000597198408	552759545	/nfs/dbraw/zinc/75/95/45/552759545.db2.gz	LZDXRLPJDKSLHO-FOIQADDNSA-N	1	0	368.437	1.996	20	30		FDEDRO
N#CCCn1cc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c(-c2ccncc2)n1	ZINC000597204324	552760141	/nfs/dbraw/zinc/76/01/41/552760141.db2.gz	AIQURGFAKGKLOR-AEFFLSMTSA-N	1	0	364.453	1.959	20	30		FDEDRO
C[C@@H](C#N)CN(C)c1nnc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1C[C@@H]1CCOC1	ZINC000597365663	552780152	/nfs/dbraw/zinc/78/01/52/552780152.db2.gz	AORBHGHIMKMUNG-NXOAAHMSSA-N	1	0	374.489	1.446	20	30		FDEDRO
N#Cc1c(F)cccc1N1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CC1	ZINC000597439353	552789434	/nfs/dbraw/zinc/78/94/34/552789434.db2.gz	HXWLGJGURVEXID-KRWDZBQOSA-N	1	0	357.433	1.671	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cc(F)c(C#N)c(F)c3)CC2)C1=O	ZINC000597651655	552817740	/nfs/dbraw/zinc/81/77/40/552817740.db2.gz	DWQMGJHLSJVKLS-MRXNPFEDSA-N	1	0	362.380	1.261	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCC[C@H](N3CCOCC3)C2)cc1	ZINC000597708606	552824922	/nfs/dbraw/zinc/82/49/22/552824922.db2.gz	CSOWBFIFNQKXCO-PMACEKPBSA-N	1	0	368.481	1.850	20	30		FDEDRO
N#Cc1ccccc1OCC(=O)NCC1CC[NH+](C2CCOCC2)CC1	ZINC000597877244	552842865	/nfs/dbraw/zinc/84/28/65/552842865.db2.gz	FSLOENNUDYUCBP-UHFFFAOYSA-N	1	0	357.454	1.944	20	30		FDEDRO
CN(CCC[NH+](C)C)CCNC(=O)c1ccn(-c2cccc(C#N)c2)n1	ZINC000597989253	552853171	/nfs/dbraw/zinc/85/31/71/552853171.db2.gz	AMBSSTMNWRVDPU-UHFFFAOYSA-N	1	0	354.458	1.357	20	30		FDEDRO
C[C@@H](CCNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)[NH+](C)C	ZINC000597992903	552853763	/nfs/dbraw/zinc/85/37/63/552853763.db2.gz	PEGYLNYOGLCGLC-AWEZNQCLSA-N	1	0	351.472	1.834	20	30		FDEDRO
C[NH+](C)C1(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CC1	ZINC000598156655	552869785	/nfs/dbraw/zinc/86/97/85/552869785.db2.gz	NCYAXFLTKBBQGA-UHFFFAOYSA-N	1	0	364.453	1.691	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1	ZINC000598453080	552897216	/nfs/dbraw/zinc/89/72/16/552897216.db2.gz	ODJLVDNDWBUERH-WOJBJXKFSA-N	1	0	368.481	1.585	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1	ZINC000598590250	552912160	/nfs/dbraw/zinc/91/21/60/552912160.db2.gz	TVDBVZPBANSBDG-GFCCVEGCSA-N	1	0	366.443	1.715	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1	ZINC000598590251	552912255	/nfs/dbraw/zinc/91/22/55/552912255.db2.gz	TVDBVZPBANSBDG-LBPRGKRZSA-N	1	0	366.443	1.715	20	30		FDEDRO
Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C[C@H](O)CC(C)(C)C#N	ZINC000598590480	552912367	/nfs/dbraw/zinc/91/23/67/552912367.db2.gz	ZQINFPSAXTYBQM-PBHICJAKSA-N	1	0	355.442	1.416	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H](O)CC(C)(C)C#N)CCN1C[C@@H](O)CC(C)(C)C#N	ZINC000598593445	552912509	/nfs/dbraw/zinc/91/25/09/552912509.db2.gz	ATINAKMGPVOVEF-IKGGRYGDSA-N	1	0	350.507	1.594	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1cc(Br)c[nH]c1=O	ZINC000598688203	552925201	/nfs/dbraw/zinc/92/52/01/552925201.db2.gz	GYJVSPNBHOHHIG-UHFFFAOYSA-N	1	0	355.236	1.857	20	30		FDEDRO
COC(=O)c1cnn(CC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1	ZINC000599088998	552966115	/nfs/dbraw/zinc/96/61/15/552966115.db2.gz	VRRSLNDQNQOEQS-UHFFFAOYSA-N	1	0	369.425	1.132	20	30		FDEDRO
N#Cc1cccc(CS(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1	ZINC000599101729	552967802	/nfs/dbraw/zinc/96/78/02/552967802.db2.gz	OQDXXSVTWHFEQW-UONOGXRCSA-N	1	0	361.389	1.847	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3CCCC[N@H+](C)C3)CC2)c1C#N	ZINC000599156689	552976038	/nfs/dbraw/zinc/97/60/38/552976038.db2.gz	IKFZGGBOSDPZPT-INIZCTEOSA-N	1	0	373.505	1.164	20	30		FDEDRO
C=CCn1c(-c2cn[nH]c2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1	ZINC000599214711	552988441	/nfs/dbraw/zinc/98/84/41/552988441.db2.gz	BJIRJVCNFXWAIH-MRXNPFEDSA-N	1	0	356.478	1.070	20	30		FDEDRO
Cc1ccc(C[NH+]2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1C#N	ZINC000599266707	553008916	/nfs/dbraw/zinc/00/89/16/553008916.db2.gz	QKVQJKHALUASLV-UHFFFAOYSA-N	1	0	368.481	1.803	20	30		FDEDRO
CC(C)[C@H](C)NC(=O)C1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1	ZINC000599277285	553012362	/nfs/dbraw/zinc/01/23/62/553012362.db2.gz	KWVVQMATBBHVAA-FUHWJXTLSA-N	1	0	365.518	1.930	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[N@@H+](CCC(N)=O)Cc1ccccc1	ZINC000599318951	553025364	/nfs/dbraw/zinc/02/53/64/553025364.db2.gz	WUGHMAJTJWZPEM-SFHVURJKSA-N	1	0	353.422	1.676	20	30		FDEDRO
CCOC(=O)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000599322777	553026807	/nfs/dbraw/zinc/02/68/07/553026807.db2.gz	UINTZZGDQVCVFK-QGZVFWFLSA-N	1	0	359.426	1.523	20	30		FDEDRO
CCCNC(=O)C1([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CCCCC1	ZINC000599329797	553028653	/nfs/dbraw/zinc/02/86/53/553028653.db2.gz	CWTIATFGDWWZGA-INIZCTEOSA-N	1	0	351.491	1.876	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000599347837	553033566	/nfs/dbraw/zinc/03/35/66/553033566.db2.gz	BNRNIKOUNGAYQB-ZFWWWQNUSA-N	1	0	351.472	1.642	20	30		FDEDRO
CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599372366	553038968	/nfs/dbraw/zinc/03/89/68/553038968.db2.gz	ZYALURHMTIRXGQ-HRCADAONSA-N	1	0	354.447	1.100	20	30		FDEDRO
C[C@H]1COCCN1C1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1	ZINC000599424286	553054350	/nfs/dbraw/zinc/05/43/50/553054350.db2.gz	MJBQATYFULZRQO-WMZOPIPTSA-N	1	0	351.491	1.243	20	30		FDEDRO
C[C@H](c1ccccc1)[C@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)C(N)=O	ZINC000599430258	553055070	/nfs/dbraw/zinc/05/50/70/553055070.db2.gz	YAXJSAPIEZOUKZ-BJZITVGISA-N	1	0	353.422	1.545	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)CCOCC1	ZINC000599432269	553055303	/nfs/dbraw/zinc/05/53/03/553055303.db2.gz	OBLWRXQHPSZAEL-CMKODMSKSA-N	1	0	362.445	1.858	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)C(=O)NC1(C#N)CCCCC1	ZINC000599628060	553107287	/nfs/dbraw/zinc/10/72/87/553107287.db2.gz	BQTCRRJTIITHMR-UNEWFSDZSA-N	1	0	358.442	1.938	20	30		FDEDRO
CCC1([NH+]2CCOCC2)CCN(CC(=O)NCc2cccc(C#N)c2)CC1	ZINC000599670447	553118470	/nfs/dbraw/zinc/11/84/70/553118470.db2.gz	WALLDZDCFUPPOW-UHFFFAOYSA-N	1	0	370.497	1.751	20	30		FDEDRO
COc1cc(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c(F)cc1C#N	ZINC000599812630	553153752	/nfs/dbraw/zinc/15/37/52/553153752.db2.gz	OJGKHDHDXWDBDT-UHFFFAOYSA-N	1	0	363.437	1.853	20	30		FDEDRO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)CCOCC[NH3+]	ZINC000599899727	553170990	/nfs/dbraw/zinc/17/09/90/553170990.db2.gz	HRTGERFNYWNYBH-ZDUSSCGKSA-N	1	0	364.471	1.311	20	30		FDEDRO
N#Cc1ccsc1NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1	ZINC000599901039	553171507	/nfs/dbraw/zinc/17/15/07/553171507.db2.gz	XLVZOHNUMJKZKO-VHSXEESVSA-N	1	0	360.361	1.544	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)c(F)cc1C#N	ZINC000599936492	553177626	/nfs/dbraw/zinc/17/76/26/553177626.db2.gz	WSKRFKVCFFCWCE-UHFFFAOYSA-N	1	0	364.421	1.879	20	30		FDEDRO
C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000599938189	553178571	/nfs/dbraw/zinc/17/85/71/553178571.db2.gz	JQJRYNKPSZBMBI-WMLDXEAASA-N	1	0	364.453	1.688	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c(F)cc1C#N	ZINC000599943147	553180863	/nfs/dbraw/zinc/18/08/63/553180863.db2.gz	BSHZFLNSRKMFDN-CQSZACIVSA-N	1	0	374.416	1.731	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c(F)cc1C#N	ZINC000599981735	553192505	/nfs/dbraw/zinc/19/25/05/553192505.db2.gz	KMZPDJPLMWPWLM-AWEZNQCLSA-N	1	0	374.416	1.778	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N(C)CC[NH+]2CCCCC2)c(F)cc1C#N	ZINC000599989608	553194804	/nfs/dbraw/zinc/19/48/04/553194804.db2.gz	SFDOVRUUAVUASW-UHFFFAOYSA-N	1	0	362.405	1.589	20	30		FDEDRO
CN(Cc1ccccc1)C(=O)C[NH2+]C[C@@H](O)COc1ccccc1C#N	ZINC000600722125	553307126	/nfs/dbraw/zinc/30/71/26/553307126.db2.gz	YAEHAXMNEOGIQZ-GOSISDBHSA-N	1	0	353.422	1.546	20	30		FDEDRO
COC1CCN(C(C)(C)C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CC1	ZINC000600724112	553307622	/nfs/dbraw/zinc/30/76/22/553307622.db2.gz	XHVAAENVHYTGBQ-INIZCTEOSA-N	1	0	353.507	1.537	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)CCOCC1	ZINC000600727450	553307869	/nfs/dbraw/zinc/30/78/69/553307869.db2.gz	LXOGOSGYWTYBCA-CHWSQXEVSA-N	1	0	363.380	1.201	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)CCOCC1	ZINC000600726586	553307959	/nfs/dbraw/zinc/30/79/59/553307959.db2.gz	MUQRILJQAGACIG-HZPDHXFCSA-N	1	0	372.469	1.025	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]Cc1cnn(CC(F)(F)F)c1	ZINC000600730943	553308409	/nfs/dbraw/zinc/30/84/09/553308409.db2.gz	OHRIJQVXARPZJA-AWEZNQCLSA-N	1	0	354.332	1.847	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+][C@H]2CCN(c3ncccc3Cl)C2)CCOCC1	ZINC000600731537	553308691	/nfs/dbraw/zinc/30/86/91/553308691.db2.gz	SZYKMXPLFPYGQN-LSDHHAIUSA-N	1	0	364.877	1.975	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2=O)CCOCC1	ZINC000600736763	553309141	/nfs/dbraw/zinc/30/91/41/553309141.db2.gz	QSXOMAFNMLXUAF-IAGOWNOFSA-N	1	0	361.417	1.592	20	30		FDEDRO
Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@H](O)CC1(C#N)CCOCC1	ZINC000600740775	553309763	/nfs/dbraw/zinc/30/97/63/553309763.db2.gz	BFKKCOUJXMVNKC-QZTJIDSGSA-N	1	0	362.470	1.704	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+][C@@H](c2ccncc2)C2(CO)CCC2)CCOCC1	ZINC000600742236	553309868	/nfs/dbraw/zinc/30/98/68/553309868.db2.gz	CGBBBNCCGQPMCZ-MSOLQXFVSA-N	1	0	359.470	1.946	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2Cc3ccccc3CO2)nc1	ZINC000600742814	553309912	/nfs/dbraw/zinc/30/99/12/553309912.db2.gz	BBPSZMWZJXWQIP-KRWDZBQOSA-N	1	0	357.435	1.458	20	30		FDEDRO
CNC(=O)CC1(C[NH2+]C[C@@H](O)COc2ccccc2C#N)CCCCC1	ZINC000600747578	553310602	/nfs/dbraw/zinc/31/06/02/553310602.db2.gz	YUGIZDWSLYMEPP-QGZVFWFLSA-N	1	0	359.470	1.974	20	30		FDEDRO
C[NH+](C)CCn1cc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)cn1	ZINC000600995420	553337206	/nfs/dbraw/zinc/33/72/06/553337206.db2.gz	VVRITBYXLFBKRC-UHFFFAOYSA-N	1	0	370.432	1.418	20	30		FDEDRO
N#Cc1cnc(N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c2sccc21	ZINC000601171187	553355655	/nfs/dbraw/zinc/35/56/55/553355655.db2.gz	HSLXBGFHKYVJFK-CQSZACIVSA-N	1	0	355.467	1.959	20	30		FDEDRO
C[NH+](C)CCCS(=O)(=O)N1CCCN(c2ccccc2C#N)CC1	ZINC000601307255	553373002	/nfs/dbraw/zinc/37/30/02/553373002.db2.gz	XXFGSVMGJKBSFO-UHFFFAOYSA-N	1	0	350.488	1.352	20	30		FDEDRO
C[NH+](C)CCCS(=O)(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000601338713	553378935	/nfs/dbraw/zinc/37/89/35/553378935.db2.gz	MEBGQKVHKNGEGS-UHFFFAOYSA-N	1	0	351.472	1.683	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)N(C)C1CC[NH2+]CC1	ZINC000601339559	553379432	/nfs/dbraw/zinc/37/94/32/553379432.db2.gz	DMBWCUFIYGMXCM-UHFFFAOYSA-N	1	0	368.459	1.511	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2ccccc2CC#N)C[C@H]1[NH+]1CCCC1	ZINC000601397707	553393976	/nfs/dbraw/zinc/39/39/76/553393976.db2.gz	RGRBIICIDRMGHZ-HZPDHXFCSA-N	1	0	365.524	1.953	20	30		FDEDRO
CSC1(CNS(=O)(=O)c2ccccc2CC#N)CC[NH+](C)CC1	ZINC000601416425	553399356	/nfs/dbraw/zinc/39/93/56/553399356.db2.gz	PTNXRSIZFFQRFK-UHFFFAOYSA-N	1	0	353.513	1.858	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(S(=O)(=O)CCC[NH+]3CCCC3)C2)nc1	ZINC000601419636	553400653	/nfs/dbraw/zinc/40/06/53/553400653.db2.gz	LKZKSZLGXJBHMF-MRXNPFEDSA-N	1	0	364.471	1.222	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1	ZINC000601523824	553428438	/nfs/dbraw/zinc/42/84/38/553428438.db2.gz	YQVVYHNEEASSRP-SJLPKXTDSA-N	1	0	364.515	1.885	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@@]2(C(=O)OCC)CCCOC2)CC1	ZINC000601572200	553437795	/nfs/dbraw/zinc/43/77/95/553437795.db2.gz	PQQCETYGWMBVBJ-IBGZPJMESA-N	1	0	367.490	1.686	20	30		FDEDRO
N#CCNC(=O)CNC(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1	ZINC000601633495	553448807	/nfs/dbraw/zinc/44/88/07/553448807.db2.gz	OCPAVIFYFALDPM-QGZVFWFLSA-N	1	0	357.458	1.370	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCN(CCC#N)CC1	ZINC000601633290	553448904	/nfs/dbraw/zinc/44/89/04/553448904.db2.gz	PEGSXCNVJPDYMZ-UYAOXDASSA-N	1	0	369.513	1.995	20	30		FDEDRO
N#Cc1c(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[nH]nc1N1CCOCC1	ZINC000601739228	553466699	/nfs/dbraw/zinc/46/66/99/553466699.db2.gz	GLUOURKTQGGTQS-MRXNPFEDSA-N	1	0	372.473	1.854	20	30		FDEDRO
Cn1ncc(Br)c1C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1	ZINC000601969553	553497580	/nfs/dbraw/zinc/49/75/80/553497580.db2.gz	VROYGQNHDQMPLP-NSHDSACASA-N	1	0	357.252	1.344	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H](n2cncn2)C(F)(F)F)cc1	ZINC000601970166	553497688	/nfs/dbraw/zinc/49/76/88/553497688.db2.gz	YZVBIPPJLMGTDB-OCCSQVGLSA-N	1	0	355.320	1.283	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc(C#N)c2)CCO1	ZINC000602051082	553508278	/nfs/dbraw/zinc/50/82/78/553508278.db2.gz	YCHSFDWVSBJGTK-INIZCTEOSA-N	1	0	362.405	1.205	20	30		FDEDRO
CC(C)(C[NH+]1CCOCC1)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000602154038	553529994	/nfs/dbraw/zinc/52/99/94/553529994.db2.gz	RQOBNSWEKUOIIV-INIZCTEOSA-N	1	0	358.442	1.291	20	30		FDEDRO
CC[NH+]1CCN(CC(=O)N2CCC(Nc3ccccc3C#N)CC2)CC1	ZINC000602184766	553535470	/nfs/dbraw/zinc/53/54/70/553535470.db2.gz	DFTLEURDYJGRKR-UHFFFAOYSA-N	1	0	355.486	1.599	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N2CCN(CCC#N)CC2)C[N@@H+]1Cc1ccccc1	ZINC000602274482	553554519	/nfs/dbraw/zinc/55/45/19/553554519.db2.gz	RUWSOUGGXBWWLZ-MJGOQNOKSA-N	1	0	355.486	1.890	20	30		FDEDRO
Cc1noc(C)c1S(=O)(=O)N1CCC[N@@H+](C[C@@H](C)CCC#N)CC1	ZINC000602430393	553579918	/nfs/dbraw/zinc/57/99/18/553579918.db2.gz	LOMGTOWUVGHFSP-ZDUSSCGKSA-N	1	0	354.476	1.928	20	30		FDEDRO
COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(S(N)(=O)=O)cc1	ZINC000602443663	553582897	/nfs/dbraw/zinc/58/28/97/553582897.db2.gz	HIKGDRABNTXUPR-UHFFFAOYSA-N	1	0	359.451	1.854	20	30		FDEDRO
N#Cc1ccc(CCNC(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)cc1	ZINC000602517447	553597009	/nfs/dbraw/zinc/59/70/09/553597009.db2.gz	BZMOCLFNXONZFZ-UHFFFAOYSA-N	1	0	374.395	1.984	20	30		FDEDRO
N#CCc1cccc2c1CCN(C(=O)c1cnnn1C1CC[NH2+]CC1)C2	ZINC000602573785	553606776	/nfs/dbraw/zinc/60/67/76/553606776.db2.gz	MQKKUBCMZSYWCU-UHFFFAOYSA-N	1	0	350.426	1.467	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2nn(C)cc2I)CC1	ZINC000602851125	553650743	/nfs/dbraw/zinc/65/07/43/553650743.db2.gz	ZQQMUTOUEPPOEK-UHFFFAOYSA-N	1	0	374.226	1.405	20	30		FDEDRO
COC(=O)c1ccc(OC[C@H](O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1	ZINC000602857795	553652705	/nfs/dbraw/zinc/65/27/05/553652705.db2.gz	VCKNHQVVNGODEK-HLLBOEOZSA-N	1	0	361.442	1.131	20	30		FDEDRO
Cc1ccc(NC(=O)NC(=O)CN2C[C@@H](C)N(CC#N)[C@@H](C)C2)c(C)c1	ZINC000602866569	553655158	/nfs/dbraw/zinc/65/51/58/553655158.db2.gz	WDLIJTQATRXKQP-IYBDPMFKSA-N	1	0	357.458	1.870	20	30		FDEDRO
COC(=O)CN(C)C(=O)CC[NH+]1CCC(Nc2ccccc2C#N)CC1	ZINC000602893218	553662997	/nfs/dbraw/zinc/66/29/97/553662997.db2.gz	COHAPUGBTKJKOC-UHFFFAOYSA-N	1	0	358.442	1.456	20	30		FDEDRO
N#Cc1ccccc1NC1CC[NH+](C[C@@H](O)COC[C@H]2CCCO2)CC1	ZINC000602898358	553664224	/nfs/dbraw/zinc/66/42/24/553664224.db2.gz	RDQWKJOCFBEBBA-RTBURBONSA-N	1	0	359.470	1.991	20	30		FDEDRO
COC[C@](C)(CO)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1	ZINC000602932580	553672884	/nfs/dbraw/zinc/67/28/84/553672884.db2.gz	QCNJCRWIMVFOOI-FQEVSTJZSA-N	1	0	370.453	1.891	20	30		FDEDRO
Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2CCOc2ccc(C#N)cc2)cn1	ZINC000602943830	553675954	/nfs/dbraw/zinc/67/59/54/553675954.db2.gz	RQNKUZKLLGBLHH-QGZVFWFLSA-N	1	0	353.426	1.565	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F	ZINC000603145084	553715651	/nfs/dbraw/zinc/71/56/51/553715651.db2.gz	MDGQYLOREWOCEC-ZBFHGGJFSA-N	1	0	357.376	1.873	20	30		FDEDRO
CC[NH2+]Cc1ccn(Cc2cn(CCOc3ccc(C#N)cc3)nn2)n1	ZINC000603176280	553723018	/nfs/dbraw/zinc/72/30/18/553723018.db2.gz	MDEYZZMYRMJNHA-UHFFFAOYSA-N	1	0	351.414	1.583	20	30		FDEDRO
Cc1nn(-c2ccccc2)c(Cn2cc(CN3CC[NH2+]CC3)nn2)c1C#N	ZINC000603186293	553725973	/nfs/dbraw/zinc/72/59/73/553725973.db2.gz	RBMWKHIXXPCJGW-UHFFFAOYSA-N	1	0	362.441	1.097	20	30		FDEDRO
C[NH2+][C@H](C)c1cn(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)nn1	ZINC000603192330	553728164	/nfs/dbraw/zinc/72/81/64/553728164.db2.gz	YCSIVDKOFOCNNT-HIFRSBDPSA-N	1	0	373.486	1.029	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](n3cc(C[C@@H]4CC[NH2+]C4)nn3)C2=O)cc1	ZINC000603239537	553740192	/nfs/dbraw/zinc/74/01/92/553740192.db2.gz	RSGXLGVRJXBLHS-YJBOKZPZSA-N	1	0	350.426	1.670	20	30		FDEDRO
COC[C@H]([NH3+])Cc1cn(Cc2ccc(Br)cc2C#N)nn1	ZINC000603240695	553740376	/nfs/dbraw/zinc/74/03/76/553740376.db2.gz	CGPXWXHGUHSGSD-CYBMUJFWSA-N	1	0	350.220	1.477	20	30		FDEDRO
N#Cc1ccc(Cn2cc(Cn3cc(C[NH3+])cn3)nn2)c(C(F)(F)F)c1	ZINC000603250583	553743254	/nfs/dbraw/zinc/74/32/54/553743254.db2.gz	KEYYWWAYNFIKEJ-UHFFFAOYSA-N	1	0	361.331	1.920	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1N1C[C@@H](SC)[C@@H]([NH+](C)C)C1	ZINC000603331373	553765274	/nfs/dbraw/zinc/76/52/74/553765274.db2.gz	RTEHAGOIKMYVLS-LSDHHAIUSA-N	1	0	355.529	1.633	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N1CCCC[C@@H]1[C@@H](C)C[NH+](C)C	ZINC000603389736	553778121	/nfs/dbraw/zinc/77/81/21/553778121.db2.gz	DPIZKUFYMGBTMZ-JKSUJKDBSA-N	1	0	360.524	1.145	20	30		FDEDRO
Cc1cc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)cc(C#N)c1[N+](=O)[O-]	ZINC000603421671	553784151	/nfs/dbraw/zinc/78/41/51/553784151.db2.gz	ALEAKBFGXDQLIZ-KRWDZBQOSA-N	1	0	373.457	1.983	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@@H](C(=O)N(C)C)C2)CC1	ZINC000604112564	553843147	/nfs/dbraw/zinc/84/31/47/553843147.db2.gz	YLOMBTJUBVFCQX-NVXWUHKLSA-N	1	0	350.507	1.973	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCC[N@@H+](C)C(C)C)cc1	ZINC000606093520	554043201	/nfs/dbraw/zinc/04/32/01/554043201.db2.gz	LFMYBEPAPZMXQD-UHFFFAOYSA-N	1	0	361.446	1.389	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1	ZINC000607180106	554130104	/nfs/dbraw/zinc/13/01/04/554130104.db2.gz	IOGRJKRSMWUYKP-CVEARBPZSA-N	1	0	357.520	1.682	20	30		FDEDRO
CC(C)C(=O)NC[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000608789628	554320363	/nfs/dbraw/zinc/32/03/63/554320363.db2.gz	PFLUVDQDFIKMQK-RTBURBONSA-N	1	0	373.497	1.977	20	30		FDEDRO
COCC[N@H+](C)CC[C@@H](NC(=O)N1CCO[C@@H](C#N)C1)c1ccccc1	ZINC000609282575	554358679	/nfs/dbraw/zinc/35/86/79/554358679.db2.gz	YMNDJROYWYZYLJ-ZWKOTPCHSA-N	1	0	360.458	1.630	20	30		FDEDRO
C[C@@H](CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)N1CC[NH+](C)CC1	ZINC000609624066	554404172	/nfs/dbraw/zinc/40/41/72/554404172.db2.gz	SPXPMEZDTYYDNY-QFBILLFUSA-N	1	0	355.486	1.279	20	30		FDEDRO
COc1cc(CNC(=O)c2ccc(C#N)nc2)ccc1OCC[NH+](C)C	ZINC000609661363	554408606	/nfs/dbraw/zinc/40/86/06/554408606.db2.gz	RHEZNENAQBGLKW-UHFFFAOYSA-N	1	0	354.410	1.832	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(CCC[NH+]2CCN([C@H](C#N)C(C)C)CC2)CC1	ZINC000610133164	554465714	/nfs/dbraw/zinc/46/57/14/554465714.db2.gz	HWYKVIUBIJYVLA-OYRHEFFESA-N	1	0	374.577	1.708	20	30		FDEDRO
C[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(C#N)c1	ZINC000610350678	554494701	/nfs/dbraw/zinc/49/47/01/554494701.db2.gz	VRIABVFXZUDPCW-RHSMWYFYSA-N	1	0	357.458	1.506	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)c1cccc(C#N)c1	ZINC000610385934	554498816	/nfs/dbraw/zinc/49/88/16/554498816.db2.gz	OFVJHMAZKBXKFY-CYBMUJFWSA-N	1	0	360.377	1.955	20	30		FDEDRO
C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000610424003	554503577	/nfs/dbraw/zinc/50/35/77/554503577.db2.gz	PNGHFHBQYNJXOM-KBPBESRZSA-N	1	0	357.458	1.945	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)CN2CC[NH+](C3CCOCC3)CC2)cc1	ZINC000610477102	554515424	/nfs/dbraw/zinc/51/54/24/554515424.db2.gz	SHDUHNNQYFQFEC-IBGZPJMESA-N	1	0	359.470	1.289	20	30		FDEDRO
Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1nn(C)cc1C#N	ZINC000610563267	554529960	/nfs/dbraw/zinc/52/99/60/554529960.db2.gz	XVLHLFGKAACMHE-UHFFFAOYSA-N	1	0	353.430	1.996	20	30		FDEDRO
C[C@@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1cccc(C#N)c1	ZINC000610846730	554570311	/nfs/dbraw/zinc/57/03/11/554570311.db2.gz	LDMURYDTLRWPCQ-QAPCUYQASA-N	1	0	369.469	1.567	20	30		FDEDRO
CC[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1OCC(=O)NC	ZINC000611379714	554629943	/nfs/dbraw/zinc/62/99/43/554629943.db2.gz	BNHSCJCDQBACGL-OXJNMPFZSA-N	1	0	372.469	1.661	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C(C)(C)CO	ZINC000611430339	554632801	/nfs/dbraw/zinc/63/28/01/554632801.db2.gz	WRXZIOZWLUWAEN-AWEZNQCLSA-N	1	0	350.488	1.160	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1	ZINC000611556093	554646016	/nfs/dbraw/zinc/64/60/16/554646016.db2.gz	CFFXXARGBKSOSA-KSSFIOAISA-N	1	0	353.463	1.475	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1	ZINC000612727184	554831686	/nfs/dbraw/zinc/83/16/86/554831686.db2.gz	TXFKKLONRSTTQY-IAGOWNOFSA-N	1	0	359.474	1.631	20	30		FDEDRO
N#C[C@]1(F)CCN(C(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1	ZINC000615632265	555223118	/nfs/dbraw/zinc/22/31/18/555223118.db2.gz	NWRNZVXLNXYQDC-LJQANCHMSA-N	1	0	358.417	1.728	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(S(=O)(=O)CC3(C#N)CCC3)CC2)CC1	ZINC000616175908	555278330	/nfs/dbraw/zinc/27/83/30/555278330.db2.gz	RCADYELIMPIBTJ-UHFFFAOYSA-N	1	0	368.547	1.500	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1	ZINC000617109483	555385942	/nfs/dbraw/zinc/38/59/42/555385942.db2.gz	MNBQFAKZCGIBCU-GOSISDBHSA-N	1	0	351.491	1.465	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)cc1	ZINC000618308079	555610382	/nfs/dbraw/zinc/61/03/82/555610382.db2.gz	MBANQPQTVKNQFK-HLAWJBBLSA-N	1	0	373.497	1.725	20	30		FDEDRO
C=CCOCCCNC(=O)c1nnn(-c2cccc3c2CC[N@@H+](C)C3)c1C	ZINC000618523315	555645735	/nfs/dbraw/zinc/64/57/35/555645735.db2.gz	DEPFVRBHUAOPLP-UHFFFAOYSA-N	1	0	369.469	1.886	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H]3CCc4cc(C#N)ccc43)C2)CC1	ZINC000618852285	555688723	/nfs/dbraw/zinc/68/87/23/555688723.db2.gz	DOZRGKHTLMTMRC-QUCCMNQESA-N	1	0	367.497	1.967	20	30		FDEDRO
CC(C)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)S(C)(=O)=O	ZINC000618967707	555702162	/nfs/dbraw/zinc/70/21/62/555702162.db2.gz	GBHNJAYDZVGJBF-UHFFFAOYSA-N	1	0	361.471	1.772	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)C1CC[NH+](C)CC1	ZINC000619076405	555721519	/nfs/dbraw/zinc/72/15/19/555721519.db2.gz	BBGHQOYWCJAHMT-CYBMUJFWSA-N	1	0	359.474	1.900	20	30		FDEDRO
N#Cc1ccc(C[C@@H](C#N)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1	ZINC000619381976	555769589	/nfs/dbraw/zinc/76/95/89/555769589.db2.gz	RITILEBJUSBWIB-PKOBYXMFSA-N	1	0	352.438	1.610	20	30		FDEDRO
Cc1onc(CC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1C#N	ZINC000619421236	555774332	/nfs/dbraw/zinc/77/43/32/555774332.db2.gz	VDXSASCRYPCNKR-CALCHBBNSA-N	1	0	350.422	1.988	20	30		FDEDRO
C[C@H](C(=O)NCC1([NH+]2CCSCC2)CCCCC1)n1cnc(C#N)n1	ZINC000619592400	555805644	/nfs/dbraw/zinc/80/56/44/555805644.db2.gz	QNNYXYJDXROINP-CQSZACIVSA-N	1	0	362.503	1.579	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H](C)n3cnc(C#N)n3)cc2)CC1	ZINC000619610751	555808689	/nfs/dbraw/zinc/80/86/89/555808689.db2.gz	FMONQBOLFLMJFT-HNNXBMFYSA-N	1	0	367.457	1.487	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCS[C@@H]2COCC[C@H]21	ZINC000625220178	556746135	/nfs/dbraw/zinc/74/61/35/556746135.db2.gz	HNKQJLTXFWLCKY-IAGOWNOFSA-N	1	0	356.447	1.492	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N(CC)CC[NH3+])cc1	ZINC000626854711	557199151	/nfs/dbraw/zinc/19/91/51/557199151.db2.gz	WQBCACQSENJPES-UHFFFAOYSA-N	1	0	358.442	1.247	20	30		FDEDRO
C=CCc1cc(C[N@H+]2CCC[C@@H](CS(=O)(=O)NC)C2)cc(OC)c1O	ZINC000628495842	557637906	/nfs/dbraw/zinc/63/79/06/557637906.db2.gz	BLEMCNMEQQGSAO-CQSZACIVSA-N	1	0	368.499	1.891	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCCC[C@H]([NH3+])C2)c1	ZINC000631960109	558074289	/nfs/dbraw/zinc/07/42/89/558074289.db2.gz	IWVJMIZVRZXLOC-HNNXBMFYSA-N	1	0	351.472	1.494	20	30		FDEDRO
C=CCN(C(=O)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)[C@@H](C)COC	ZINC000635209463	558615120	/nfs/dbraw/zinc/61/51/20/558615120.db2.gz	QXSJTFUUNJTRFL-AWEZNQCLSA-N	1	0	363.462	1.138	20	30		FDEDRO
N#Cc1cccc(C2([NH2+]CCOc3ccc(S(N)(=O)=O)cc3)CC2)c1	ZINC000271830187	674386445	/nfs/dbraw/zinc/38/64/45/674386445.db2.gz	UHFUBNNQBASXIL-UHFFFAOYSA-N	1	0	357.435	1.863	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@](C)(CO)Cc2ccccc2OC)CC1	ZINC000636740000	567998409	/nfs/dbraw/zinc/99/84/09/567998409.db2.gz	NHOSHJNMMGCNGV-FQEVSTJZSA-N	1	0	361.486	1.938	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(CO)(Cc2ccccc2)CC1	ZINC000365320265	568498423	/nfs/dbraw/zinc/49/84/23/568498423.db2.gz	DRPMWGJEYMPYBR-MRXNPFEDSA-N	1	0	359.470	1.704	20	30		FDEDRO
C#CCCOc1ccc(C[NH2+][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1	ZINC000271982443	674402147	/nfs/dbraw/zinc/40/21/47/674402147.db2.gz	JSEOTLZSBRGPHM-PKOBYXMFSA-N	1	0	363.479	1.915	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+]Cc3cc(-c4nn[nH]n4)cs3)CC2)nc1	ZINC000822830002	606216200	/nfs/dbraw/zinc/21/62/00/606216200.db2.gz	SNJMBIVXSMDOOI-UHFFFAOYSA-N	1	0	366.454	1.953	20	30		FDEDRO
C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H](O)COC1CCOCC1	ZINC000819745433	606704723	/nfs/dbraw/zinc/70/47/23/606704723.db2.gz	CNSXAPKOVARNQA-QGZVFWFLSA-N	1	0	373.457	1.411	20	30		FDEDRO
C=CCC[C@H](O)C[N@@H+]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000819734842	606744737	/nfs/dbraw/zinc/74/47/37/606744737.db2.gz	VKTAHFWAVMHFOS-SFHVURJKSA-N	1	0	356.474	1.702	20	30		FDEDRO
N#Cc1ccc(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)nn1	ZINC000826385654	607988671	/nfs/dbraw/zinc/98/86/71/607988671.db2.gz	VTLXASSEWBVDFS-UHFFFAOYSA-N	1	0	361.413	1.241	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1ccc(C#N)cc1F	ZINC000825933786	608035514	/nfs/dbraw/zinc/03/55/14/608035514.db2.gz	GFBHFJNEPATLKS-UHFFFAOYSA-N	1	0	355.381	1.247	20	30		FDEDRO
C#CC[C@@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccccc1	ZINC000823838625	608518989	/nfs/dbraw/zinc/51/89/89/608518989.db2.gz	SAOTYSISDCOAHT-PKOBYXMFSA-N	1	0	363.421	1.961	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1	ZINC000826385033	608530775	/nfs/dbraw/zinc/53/07/75/608530775.db2.gz	UQOYLNHHDCWMQN-UHFFFAOYSA-N	1	0	373.420	1.633	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1	ZINC000826381265	608534130	/nfs/dbraw/zinc/53/41/30/608534130.db2.gz	DQYGLICRTCTWBG-UHFFFAOYSA-N	1	0	364.413	1.101	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@H](OCCO)C1)C(C)C	ZINC000275791633	674640183	/nfs/dbraw/zinc/64/01/83/674640183.db2.gz	VUWKFYGCSJIPPD-ROUUACIJSA-N	1	0	353.507	1.868	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CC1	ZINC000277118364	674862538	/nfs/dbraw/zinc/86/25/38/674862538.db2.gz	QTNJZRUAFIOLSF-UHFFFAOYSA-N	1	0	368.886	1.705	20	30		FDEDRO
CN(C)c1ncc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)s1	ZINC000277144432	674869085	/nfs/dbraw/zinc/86/90/85/674869085.db2.gz	FDDQQQWGDVFBAA-INIZCTEOSA-N	1	0	355.467	1.971	20	30		FDEDRO
CC(C)NS(=O)(=O)NCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1	ZINC000277178556	674878159	/nfs/dbraw/zinc/87/81/59/674878159.db2.gz	SUEVRXOCBUBDGI-UHFFFAOYSA-N	1	0	364.515	1.813	20	30		FDEDRO
C[NH+]=C(NCC1CCSCC1)N1CCN(Cc2cc(C)on2)CC1	ZINC000086839052	671484417	/nfs/dbraw/zinc/48/44/17/671484417.db2.gz	LSCYMBUONNPIOE-UHFFFAOYSA-N	1	0	351.520	1.819	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)NCC1CCC1)N1CCc2ccccc21	ZINC000088333771	671488727	/nfs/dbraw/zinc/48/87/27/671488727.db2.gz	KWZWGWMPHRRGFV-UHFFFAOYSA-N	1	0	350.488	1.344	20	30		FDEDRO
C[NH+]=C(NCCc1nc(C)no1)N[C@@H]1CCN(c2ncccc2Cl)C1	ZINC000158955299	671985737	/nfs/dbraw/zinc/98/57/37/671985737.db2.gz	LEYNMLBENQVEPI-GFCCVEGCSA-N	1	0	363.853	1.413	20	30		FDEDRO
CC(C)(C)OC(=O)NC[C@H]1CCCN1CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000174234611	672091367	/nfs/dbraw/zinc/09/13/67/672091367.db2.gz	ZKTIWVIFCUQYHS-KDOFPFPSSA-N	1	0	350.463	1.784	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N(C)C2CCC([NH3+])CC2)c1	ZINC000237028708	672420124	/nfs/dbraw/zinc/42/01/24/672420124.db2.gz	RHAILGIVSQTWGA-UHFFFAOYSA-N	1	0	351.472	1.493	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NC2(C[NH3+])CCCC2)ccc1F	ZINC000238019947	672432736	/nfs/dbraw/zinc/43/27/36/672432736.db2.gz	BXZJQGGZGFZJRO-UHFFFAOYSA-N	1	0	355.435	1.291	20	30		FDEDRO
C[C@@H]1CSCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000245862760	672467298	/nfs/dbraw/zinc/46/72/98/672467298.db2.gz	PJFUWFLUFGAGEN-HUUCEWRRSA-N	1	0	364.540	1.894	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(N[C@@H]3C[C@@H]4OCCC[C@H]34)=[NH+]C[C@@H]2C1	ZINC000249942161	672585357	/nfs/dbraw/zinc/58/53/57/672585357.db2.gz	TWEDGZKJQXFWOB-TUVASFSCSA-N	1	0	350.463	1.434	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCC[NH2+]C2)c1	ZINC000255711720	672625403	/nfs/dbraw/zinc/62/54/03/672625403.db2.gz	VPLIYHGTHJMOBK-SFKFPXOQSA-N	1	0	364.471	1.438	20	30		FDEDRO
CC[C@]1(C)CCN(C(NCCNS(=O)(=O)c2cccnc2)=[NH+]C)C1	ZINC000261681439	672650109	/nfs/dbraw/zinc/65/01/09/672650109.db2.gz	DEKDVNTWFLFFIH-MRXNPFEDSA-N	1	0	353.492	1.057	20	30		FDEDRO
CC[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N[C@H](C)c1ccc(C)o1	ZINC000261699830	672654253	/nfs/dbraw/zinc/65/42/53/672654253.db2.gz	SXQTWHIOKXSXRW-CQSZACIVSA-N	1	0	370.519	1.876	20	30		FDEDRO
CCc1nsc(N2CCN(C(NCc3ncccc3C)=[NH+]C)CC2)n1	ZINC000261704586	672655205	/nfs/dbraw/zinc/65/52/05/672655205.db2.gz	GMROOTGKGNSVDP-UHFFFAOYSA-N	1	0	359.503	1.702	20	30		FDEDRO
C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N1CCc2ccccc2C1	ZINC000261730819	672660120	/nfs/dbraw/zinc/66/01/20/672660120.db2.gz	YCTOLMOLSGLNHM-UHFFFAOYSA-N	1	0	364.515	1.292	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)NC[C@@H]1CCC[C@H](C(F)(F)F)C1	ZINC000261755220	672665361	/nfs/dbraw/zinc/66/53/61/672665361.db2.gz	NVAPYALVOTXTQK-AGIUHOORSA-N	1	0	369.453	1.955	20	30		FDEDRO
CNC(=O)CNC(=[NH+]C)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1	ZINC000261774624	672669767	/nfs/dbraw/zinc/66/97/67/672669767.db2.gz	OMWYINMMAFMFCF-ZDUSSCGKSA-N	1	0	358.364	1.400	20	30		FDEDRO
CC[NH+]=C(NCc1ccsc1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1	ZINC000261812816	672676374	/nfs/dbraw/zinc/67/63/74/672676374.db2.gz	STXWAUYAEKNMCW-KRWDZBQOSA-N	1	0	363.487	1.524	20	30		FDEDRO
CC[NH+]=C(NCc1cccc(S(N)(=O)=O)c1)N1CC[C@](C)(CC)C1	ZINC000261813795	672676608	/nfs/dbraw/zinc/67/66/08/672676608.db2.gz	SWMSSYBVFYJCLF-KRWDZBQOSA-N	1	0	352.504	1.922	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1COCCO1)N[C@@H]1CCN(c2ncccc2Cl)C1	ZINC000261948831	672699781	/nfs/dbraw/zinc/69/97/81/672699781.db2.gz	GSACGSBECBOHEE-ZIAGYGMSSA-N	1	0	367.881	1.284	20	30		FDEDRO
C[NH+]=C(NCc1cccnc1N1CCN(C)CC1)NC[C@@H]1CCCS1	ZINC000261959668	672702433	/nfs/dbraw/zinc/70/24/33/672702433.db2.gz	JTCKGYJWQLOPJG-INIZCTEOSA-N	1	0	362.547	1.394	20	30		FDEDRO
CC[NH+]=C(NC[C@]1(C)CCCC[C@H]1O)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261962048	672703011	/nfs/dbraw/zinc/70/30/11/672703011.db2.gz	KJWPXMSXJDWLTJ-PBHICJAKSA-N	1	0	359.536	1.402	20	30		FDEDRO
COc1cccc(NC(=[NH2+])NC[C@]2(N3CCOCC3)CCSC2)c1	ZINC000261966690	672703831	/nfs/dbraw/zinc/70/38/31/672703831.db2.gz	BMUNXRMSHBXHAC-QGZVFWFLSA-N	1	0	350.488	1.630	20	30		FDEDRO
[NH2+]=C(NCCNc1cnccn1)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000261977651	672705697	/nfs/dbraw/zinc/70/56/97/672705697.db2.gz	GRTJDPVEEKNRSF-UHFFFAOYSA-N	1	0	359.865	1.679	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261978886	672705891	/nfs/dbraw/zinc/70/58/91/672705891.db2.gz	OJIIACRTOLLSTH-BFHYXJOUSA-N	1	0	355.504	1.028	20	30		FDEDRO
CC[NH+]=C(NCCOc1ccc(C)cc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261984633	672707130	/nfs/dbraw/zinc/70/71/30/672707130.db2.gz	PRJKSMVQYYWBEU-UHFFFAOYSA-N	1	0	367.515	1.848	20	30		FDEDRO
C[NH+]=C(NCc1cccc(NS(C)(=O)=O)c1)NC[C@H]1CCCS1	ZINC000261989593	672707522	/nfs/dbraw/zinc/70/75/22/672707522.db2.gz	QZCSCZXIMXMMPI-CQSZACIVSA-N	1	0	356.517	1.619	20	30		FDEDRO
C[NH+]=C(NCc1ccc(CS(C)(=O)=O)cc1)N1CC[C@@]2(CCOC2)C1	ZINC000261990105	672707666	/nfs/dbraw/zinc/70/76/66/672707666.db2.gz	RCYAFFWVSYUIAF-GOSISDBHSA-N	1	0	365.499	1.419	20	30		FDEDRO
CC[NH+]=C(NCc1cccc(S(N)(=O)=O)c1)N1CCS[C@H](CC)C1	ZINC000262003811	672710217	/nfs/dbraw/zinc/71/02/17/672710217.db2.gz	UKSYEUJIUFMAJY-CQSZACIVSA-N	1	0	370.544	1.627	20	30		FDEDRO
C[NH+]=C(NC[C@@]1(O)CCSC1)N(C)Cc1nc(-c2ccccc2)c[nH]1	ZINC000262009121	672711298	/nfs/dbraw/zinc/71/12/98/672711298.db2.gz	WFSCIHVUFBONTP-SFHVURJKSA-N	1	0	359.499	1.952	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1C(F)(F)F	ZINC000262020985	672713033	/nfs/dbraw/zinc/71/30/33/672713033.db2.gz	IQUCHKIJCQGZAC-DUFXMDAXSA-N	1	0	359.373	1.935	20	30		FDEDRO
C[NH+]=C(NCc1coc(-c2cccs2)n1)N1CCO[C@@H](COC)C1	ZINC000262046577	672717622	/nfs/dbraw/zinc/71/76/22/672717622.db2.gz	YZVMGEIIGILPJV-CYBMUJFWSA-N	1	0	350.444	1.826	20	30		FDEDRO
CCN(CC)S(=O)(=O)c1ccc(CNC(=[NH+]C)N2CCCC2)s1	ZINC000262070874	672720645	/nfs/dbraw/zinc/72/06/45/672720645.db2.gz	CCNZKTZRANHGFH-UHFFFAOYSA-N	1	0	358.533	1.950	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000288773128	676052836	/nfs/dbraw/zinc/05/28/36/676052836.db2.gz	JZPWLXOGZRTOBQ-UHFFFAOYSA-N	1	0	365.865	1.150	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)NC(C)C)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	ZINC000262292901	672763216	/nfs/dbraw/zinc/76/32/16/672763216.db2.gz	XXJWBZIRMBJOMV-ARFHVFGLSA-N	1	0	358.552	1.838	20	30		FDEDRO
C[NH+]=C(NC[C@]1(O)CCSC1)N1CCN(c2cccc(Cl)c2)CC1	ZINC000262333385	672772205	/nfs/dbraw/zinc/77/22/05/672772205.db2.gz	BIWRNFZHXLORMX-QGZVFWFLSA-N	1	0	368.934	1.905	20	30		FDEDRO
CC[C@]1(C)CCN(C(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CCOCC2)C1	ZINC000262341700	672773558	/nfs/dbraw/zinc/77/35/58/672773558.db2.gz	CRMIKWXVZDDLIQ-CRAIPNDOSA-N	1	0	371.547	1.668	20	30		FDEDRO
C=CCNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](C2CCOCC2)C1	ZINC000262341927	672773571	/nfs/dbraw/zinc/77/35/71/672773571.db2.gz	CTBPSCACJLZUSN-DOTOQJQBSA-N	1	0	369.531	1.301	20	30		FDEDRO
CN(C)C(=O)CNC(=[NH+]C1CCCC1)N1CCN(c2cccs2)CC1	ZINC000262344482	672773863	/nfs/dbraw/zinc/77/38/63/672773863.db2.gz	XQVLOYVAIFFVKB-UHFFFAOYSA-N	1	0	363.531	1.847	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCOc2ccc(F)cc21	ZINC000262349917	672774914	/nfs/dbraw/zinc/77/49/14/672774914.db2.gz	FALBGYPBDSMVMM-WFASDCNBSA-N	1	0	369.462	1.639	20	30		FDEDRO
C[NH+]=C(NC[C@]1(O)CCSC1)N(C)Cc1cnn(-c2ccccc2)c1	ZINC000262377322	672779149	/nfs/dbraw/zinc/77/91/49/672779149.db2.gz	JRNPDFWFWLOQSU-GOSISDBHSA-N	1	0	359.499	1.748	20	30		FDEDRO
[NH2+]=C(NCCOc1ncccc1Cl)N1CCN(c2ncccn2)CC1	ZINC000262390626	672781492	/nfs/dbraw/zinc/78/14/92/672781492.db2.gz	MCQWIJZCHVZLNT-UHFFFAOYSA-N	1	0	361.837	1.041	20	30		FDEDRO
CC[C@@H]1CN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]CC(C)C)CCS1	ZINC000262403851	672783759	/nfs/dbraw/zinc/78/37/59/672783759.db2.gz	OEURLWBNJMKWDG-LSDHHAIUSA-N	1	0	361.577	1.850	20	30		FDEDRO
O=S1(=O)CC[C@@H](CNC(NCc2cccs2)=[NH+]C2CCOCC2)C1	ZINC000262432712	672788551	/nfs/dbraw/zinc/78/85/51/672788551.db2.gz	SRJMIDMVAFYGMF-ZDUSSCGKSA-N	1	0	371.528	1.397	20	30		FDEDRO
CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1CCOc2ccccc21	ZINC000262454725	672792613	/nfs/dbraw/zinc/79/26/13/672792613.db2.gz	WOXJYEUHBIUZNZ-YUELXQCFSA-N	1	0	366.487	1.132	20	30		FDEDRO
C=C(C)CNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CC[C@@]2(CCOC2)C1	ZINC000262456529	672792704	/nfs/dbraw/zinc/79/27/04/672792704.db2.gz	WVMCPWPJWVTTKA-DOTOQJQBSA-N	1	0	355.504	1.055	20	30		FDEDRO
C[C@H]1CN(C(=[NH2+])NCc2cc(Br)c3c(c2)OCCO3)CCO1	ZINC000262467646	672794614	/nfs/dbraw/zinc/79/46/14/672794614.db2.gz	OCEKKMMTGCQVME-JTQLQIEISA-N	1	0	370.247	1.756	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCO[C@H](C(C)C)C1	ZINC000262472583	672795010	/nfs/dbraw/zinc/79/50/10/672795010.db2.gz	ZFCQDKFPPFDYLN-XHSDSOJGSA-N	1	0	359.536	1.568	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NC[C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1	ZINC000262675911	672828704	/nfs/dbraw/zinc/82/87/04/672828704.db2.gz	TZJDZEBZSVPILA-DOMZBBRYSA-N	1	0	354.476	1.530	20	30		FDEDRO
CCN1CCC[C@@H]1CNC(=[NH2+])NCCCS(=O)(=O)c1ccccc1	ZINC000264063426	672899984	/nfs/dbraw/zinc/89/99/84/672899984.db2.gz	AEGKYJJSRIBZCZ-OAHLLOKOSA-N	1	0	352.504	1.239	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NC[C@@H](O)COc1cccc(Cl)c1Cl	ZINC000264098521	672901151	/nfs/dbraw/zinc/90/11/51/672901151.db2.gz	NDUIPYYXYFYWFT-NXEZZACHSA-N	1	0	350.246	1.672	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCc2ccc(S(N)(=O)=O)s2)cc1	ZINC000264119893	672901857	/nfs/dbraw/zinc/90/18/57/672901857.db2.gz	QSHHRDPJJAQKQH-UHFFFAOYSA-N	1	0	368.484	1.051	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(C(=O)c3ccsc3)CC2)CC1	ZINC000264375280	672910802	/nfs/dbraw/zinc/91/08/02/672910802.db2.gz	SJXBMPROWUMHKO-UHFFFAOYSA-N	1	0	362.499	1.866	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1cc(Br)cs1	ZINC000264996724	672927652	/nfs/dbraw/zinc/92/76/52/672927652.db2.gz	SSHBZSSGDPUCHC-UHFFFAOYSA-N	1	0	361.309	1.508	20	30		FDEDRO
COCCNS(=O)(=O)c1cccc(CNC(=[NH2+])N2CCC(C)CC2)c1	ZINC000267435028	673303596	/nfs/dbraw/zinc/30/35/96/673303596.db2.gz	NOQINUCJHWESSF-UHFFFAOYSA-N	1	0	368.503	1.158	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@@](C)(O)c2ccco2)CC1	ZINC000267472232	673307305	/nfs/dbraw/zinc/30/73/05/673307305.db2.gz	YBZMUUJRULJERO-QGZVFWFLSA-N	1	0	352.435	1.355	20	30		FDEDRO
Cc1onc(N)c1S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000289377049	676126901	/nfs/dbraw/zinc/12/69/01/676126901.db2.gz	NDTDSUUKCHKJGL-UHFFFAOYSA-N	1	0	363.443	1.189	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)cc1	ZINC000289392566	676128461	/nfs/dbraw/zinc/12/84/61/676128461.db2.gz	DQYOAIUNFQZWAX-HIFRSBDPSA-N	1	0	355.360	1.982	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1	ZINC000289478438	676142197	/nfs/dbraw/zinc/14/21/97/676142197.db2.gz	NVMMXHXLEIESOZ-KGLIPLIRSA-N	1	0	361.408	1.966	20	30		FDEDRO
CN(C)S(=O)(=O)CC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000289467464	676140637	/nfs/dbraw/zinc/14/06/37/676140637.db2.gz	DBQYFRQUHJSFFI-UHFFFAOYSA-N	1	0	361.471	1.445	20	30		FDEDRO
CC[N@H+](CCNC(=O)N1CCN(c2snc(C)c2C#N)CC1)C1CC1	ZINC000290580522	676215147	/nfs/dbraw/zinc/21/51/47/676215147.db2.gz	AKINOZHJSNHSHW-UHFFFAOYSA-N	1	0	362.503	1.639	20	30		FDEDRO
CN(C[C@@H]1CC[N@H+](C)C1)S(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000278957338	675223964	/nfs/dbraw/zinc/22/39/64/675223964.db2.gz	ZYPGBDXGJCPMAA-LLVKDONJSA-N	1	0	372.288	1.893	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)N2CCN(c3snc(C)c3C#N)CC2)CC1	ZINC000290722732	676227027	/nfs/dbraw/zinc/22/70/27/676227027.db2.gz	MCGFQCRCBJQRKC-UHFFFAOYSA-N	1	0	362.503	1.639	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000282319225	675622083	/nfs/dbraw/zinc/62/20/83/675622083.db2.gz	OLXVQNXUAKXVIT-SOLBZPMBSA-N	1	0	364.515	1.965	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NCCC[N@@H+]1CCc2ccccc2C1	ZINC000282359056	675625904	/nfs/dbraw/zinc/62/59/04/675625904.db2.gz	BCKHBNRCUGOXMM-OAHLLOKOSA-N	1	0	350.488	1.361	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1	ZINC000282427241	675628863	/nfs/dbraw/zinc/62/88/63/675628863.db2.gz	CCJVDMUSUZULNE-RDJZCZTQSA-N	1	0	350.488	1.892	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1	ZINC000282504885	675631264	/nfs/dbraw/zinc/63/12/64/675631264.db2.gz	ZFHBRYLRTGYLAX-CRAIPNDOSA-N	1	0	364.515	1.823	20	30		FDEDRO
CC[NH+](CC)[C@H](CNS(=O)(=O)N(C)C[C@@H](C)C#N)c1ccccc1	ZINC000282963310	675644271	/nfs/dbraw/zinc/64/42/71/675644271.db2.gz	WGEXMBHYNJLSGK-DOTOQJQBSA-N	1	0	352.504	1.995	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1	ZINC000282989835	675645910	/nfs/dbraw/zinc/64/59/10/675645910.db2.gz	XWQPSYQDROOIQP-KGLIPLIRSA-N	1	0	356.517	1.811	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000283001687	675647010	/nfs/dbraw/zinc/64/70/10/675647010.db2.gz	NZHXGIQUWDYCEI-FUHWJXTLSA-N	1	0	364.515	1.919	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000283001684	675647045	/nfs/dbraw/zinc/64/70/45/675647045.db2.gz	NZHXGIQUWDYCEI-AEFFLSMTSA-N	1	0	364.515	1.919	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)NCCCCCOC)C(C)C	ZINC000283666150	675659991	/nfs/dbraw/zinc/65/99/91/675659991.db2.gz	BWNQDAJCKLYJTR-KRWDZBQOSA-N	1	0	353.507	1.734	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@H](COC)C1)C(C)C	ZINC000283660180	675660088	/nfs/dbraw/zinc/66/00/88/675660088.db2.gz	BMFQEUXXLFJOCN-IAGOWNOFSA-N	1	0	351.491	1.296	20	30		FDEDRO
C=CCNC(=O)CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F	ZINC000285895182	675849818	/nfs/dbraw/zinc/84/98/18/675849818.db2.gz	UNKOEYUYMCYQBG-OAHLLOKOSA-N	1	0	351.397	1.562	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCCCCn1cc(Br)cn1	ZINC000296799771	676420898	/nfs/dbraw/zinc/42/08/98/676420898.db2.gz	IOPLASSDRGGLRL-UHFFFAOYSA-N	1	0	370.295	1.680	20	30		FDEDRO
N#Cc1cccc(C2([NH2+]CCC(=O)NC(=O)NCC(F)(F)F)CC2)c1	ZINC000298920885	676504801	/nfs/dbraw/zinc/50/48/01/676504801.db2.gz	NLSJMESRHOSCAW-UHFFFAOYSA-N	1	0	354.332	1.915	20	30		FDEDRO
CCS(=O)(=O)N(C)CCCNC(=[NH2+])Nc1ccc(OC)c(Cl)c1	ZINC000303888343	676543433	/nfs/dbraw/zinc/54/34/33/676543433.db2.gz	LINCJHIKMPCZLK-UHFFFAOYSA-N	1	0	362.883	1.747	20	30		FDEDRO
[NH2+]=C(NCCNC(=O)c1ccc(Br)cc1)N1CCCCC1	ZINC000303882623	676543517	/nfs/dbraw/zinc/54/35/17/676543517.db2.gz	LRASDHZJYKFMJF-UHFFFAOYSA-N	1	0	353.264	1.980	20	30		FDEDRO
CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=[NH2+])N1CCSCC1	ZINC000303898709	676543692	/nfs/dbraw/zinc/54/36/92/676543692.db2.gz	VQNJBEONHYIJOQ-UHFFFAOYSA-N	1	0	370.544	1.627	20	30		FDEDRO
O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1C[C@@H]2COC[C@H](C1)O2	ZINC000328684586	676602081	/nfs/dbraw/zinc/60/20/81/676602081.db2.gz	FDEVBGFADXOZEC-ZNMIVQPWSA-N	1	0	351.472	1.899	20	30		FDEDRO
O=C(NCC1([NH+]2CCSCC2)CCCC1)N1C[C@@H]2COC[C@H](C1)O2	ZINC000328680742	676602160	/nfs/dbraw/zinc/60/21/60/676602160.db2.gz	CDHCDTWWWMDTOQ-GASCZTMLSA-N	1	0	355.504	1.362	20	30		FDEDRO
O=C(NCC1([NH+]2CCSCC2)CCCC1)N1CCN(C2CC2)C(=O)C1	ZINC000328729578	676604486	/nfs/dbraw/zinc/60/44/86/676604486.db2.gz	WCYHDCUSNUHEGF-UHFFFAOYSA-N	1	0	366.531	1.569	20	30		FDEDRO
CCCS(=O)(=O)N1CCC(NC(=O)c2ccc3c[nH+]cn3c2)CC1	ZINC000328804366	676607657	/nfs/dbraw/zinc/60/76/57/676607657.db2.gz	HJEBWVLSJKKKIS-UHFFFAOYSA-N	1	0	350.444	1.843	20	30		FDEDRO
CC(C)(C)n1ncnc1CNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000328834883	676609035	/nfs/dbraw/zinc/60/90/35/676609035.db2.gz	WVVUTYWKBSZEJJ-AWEZNQCLSA-N	1	0	350.467	1.101	20	30		FDEDRO
O=C(N[C@@H]1CCO[C@H]1C1CC1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000328857330	676609861	/nfs/dbraw/zinc/60/98/61/676609861.db2.gz	XUTSQEYBIAZYKV-BDXSIMOUSA-N	1	0	351.491	1.825	20	30		FDEDRO
CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1	ZINC000328884903	676610843	/nfs/dbraw/zinc/61/08/43/676610843.db2.gz	YTOGGFBYTXBXOX-IRXDYDNUSA-N	1	0	350.507	1.964	20	30		FDEDRO
CC1CC[NH+](C[C@@H](O)CNC(=O)[C@@H]2CCO[C@H]2c2nccn2C)CC1	ZINC000328919602	676612182	/nfs/dbraw/zinc/61/21/82/676612182.db2.gz	ASCVKGHSIHTKKM-ARFHVFGLSA-N	1	0	350.463	1.547	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)C1	ZINC000328966139	676614138	/nfs/dbraw/zinc/61/41/38/676614138.db2.gz	SMMUBRBIUXMCPC-XHSDSOJGSA-N	1	0	351.495	1.713	20	30		FDEDRO
O=C(NCC[NH+]1CCCCC1)N[C@@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000329010636	676615776	/nfs/dbraw/zinc/61/57/76/676615776.db2.gz	OLKOHOONXJTRRE-MRXNPFEDSA-N	1	0	351.495	1.656	20	30		FDEDRO
CC(C)N1C(=O)N[C@@H]2CN(C(=O)NC[C@@]3([NH+](C)C)CCSC3)CC[C@@H]21	ZINC000329063811	676618180	/nfs/dbraw/zinc/61/81/80/676618180.db2.gz	OIEMNAALYFISLW-KEYYUXOJSA-N	1	0	369.535	1.419	20	30		FDEDRO
Cc1noc([C@@H]2CN(C(=O)N[C@H](C)C[NH+]3CCCCC3)CCN2C)n1	ZINC000329073102	676618261	/nfs/dbraw/zinc/61/82/61/676618261.db2.gz	ZWCUQBXRTLZNAO-HIFRSBDPSA-N	1	0	350.467	1.455	20	30		FDEDRO
Cc1nc(CN2CCN(C(=O)NC[C@H](C)[N@H+](C)C3CC3)CC2)cs1	ZINC000329111729	676620553	/nfs/dbraw/zinc/62/05/53/676620553.db2.gz	KEIYOFVWRDRNSQ-ZDUSSCGKSA-N	1	0	351.520	1.966	20	30		FDEDRO
CS(=O)(=O)C1(C(=O)NCC2(N3CCCC3)CCOCC2)CCCC1	ZINC000329128099	676621709	/nfs/dbraw/zinc/62/17/09/676621709.db2.gz	ZICWFTSIJMKGMZ-UHFFFAOYSA-N	1	0	358.504	1.945	20	30		FDEDRO
Cc1nn(CC(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)c(C)c1Cl	ZINC000329152417	676622841	/nfs/dbraw/zinc/62/28/41/676622841.db2.gz	BGYFVJURHJZRRB-AWEZNQCLSA-N	1	0	367.881	1.805	20	30		FDEDRO
CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CCN(C(C)C)C2=O)C1	ZINC000329154170	676623089	/nfs/dbraw/zinc/62/30/89/676623089.db2.gz	BFOXDKZETWUMOW-HRCADAONSA-N	1	0	352.479	1.095	20	30		FDEDRO
CN(CC1CCOCC1)C(=O)NC[C@]1(N2CCOCC2)CCSC1	ZINC000329168218	676623225	/nfs/dbraw/zinc/62/32/25/676623225.db2.gz	IQUQGZSTUHJASS-QGZVFWFLSA-N	1	0	357.520	1.467	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)c3csc(NC4CC4)n3)CC2)C1=O	ZINC000329184348	676623806	/nfs/dbraw/zinc/62/38/06/676623806.db2.gz	PDTXOVYOGGCWER-CQSZACIVSA-N	1	0	363.487	1.717	20	30		FDEDRO
Cc1csc(=O)n1CCC(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1	ZINC000329206433	676625375	/nfs/dbraw/zinc/62/53/75/676625375.db2.gz	YDOWUVITELZMHQ-AWEZNQCLSA-N	1	0	366.487	1.260	20	30		FDEDRO
O=C(NC1CC[NH+](C2CC2)CC1)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1	ZINC000329222789	676626383	/nfs/dbraw/zinc/62/63/83/676626383.db2.gz	WYGBYGPPDBWLMX-CQSZACIVSA-N	1	0	370.519	1.073	20	30		FDEDRO
C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1	ZINC000329229830	676626966	/nfs/dbraw/zinc/62/69/66/676626966.db2.gz	JONZXEDOLZHCKN-RBSFLKMASA-N	1	0	372.535	1.319	20	30		FDEDRO
C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CCCS(=O)(=O)C1	ZINC000329239735	676627937	/nfs/dbraw/zinc/62/79/37/676627937.db2.gz	QOECLZGTZUEEAE-FZKCQIBNSA-N	1	0	359.536	1.681	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(CC(F)(F)F)C(=O)C1	ZINC000329243094	676628071	/nfs/dbraw/zinc/62/80/71/676628071.db2.gz	SRVFJZAWKAWUJF-LBPRGKRZSA-N	1	0	350.385	1.481	20	30		FDEDRO
CC[C@@H]1CN(C(=O)NC[C@H](C)C[NH+]2CCCCC2)C[C@H](C)S1(=O)=O	ZINC000329244695	676628347	/nfs/dbraw/zinc/62/83/47/676628347.db2.gz	URGVENDZNGNYGK-HRCADAONSA-N	1	0	359.536	1.920	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCC[C@@H]1[C@@H]1CCCO1	ZINC000329271305	676629954	/nfs/dbraw/zinc/62/99/54/676629954.db2.gz	IADYXIFRYLARMO-BDXSIMOUSA-N	1	0	351.491	1.922	20	30		FDEDRO
C[C@@H](CNC(=O)CS(=O)(=O)NC1CCC(C)CC1)N1CC[NH+](C)CC1	ZINC000329281179	676630407	/nfs/dbraw/zinc/63/04/07/676630407.db2.gz	NFBHCNWETGRDDR-PCKAHOCUSA-N	1	0	374.551	1.077	20	30		FDEDRO
CN(C[C@H]1CC[N@H+](C)C1)C(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000329310653	676632592	/nfs/dbraw/zinc/63/25/92/676632592.db2.gz	FWNLVBKCADIIIZ-JKSUJKDBSA-N	1	0	351.495	1.464	20	30		FDEDRO
C[C@H](NC(=O)NC[C@@]1(N2CCOCC2)CCSC1)C1=CC[N@H+](C)CC1	ZINC000329314040	676632795	/nfs/dbraw/zinc/63/27/95/676632795.db2.gz	GWIOOYSOXVSLHZ-YJBOKZPZSA-N	1	0	368.547	1.348	20	30		FDEDRO
CC(C)N1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1=O	ZINC000329342963	676634017	/nfs/dbraw/zinc/63/40/17/676634017.db2.gz	PVBXUKMADCYRBG-UHFFFAOYSA-N	1	0	368.547	1.815	20	30		FDEDRO
Cc1nc([C@@H]2CN(C(=O)NC[C@@H](C)[NH+]3CCC(C)CC3)CCO2)no1	ZINC000329353151	676634707	/nfs/dbraw/zinc/63/47/07/676634707.db2.gz	UWQNRIFFIXEGCN-HIFRSBDPSA-N	1	0	351.451	1.786	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)N3C[C@@H]4CC[C@H](O)[C@H]4C3)CC2)CC1	ZINC000329553957	676643659	/nfs/dbraw/zinc/64/36/59/676643659.db2.gz	KGKYMHACUCMZCX-WBAXXEDZSA-N	1	0	350.507	1.162	20	30		FDEDRO
O=C(CN1CCC(=O)NC1=O)NCC1([NH+]2CCCCC2)CCOCC1	ZINC000329677200	676648922	/nfs/dbraw/zinc/64/89/22/676648922.db2.gz	WOKAYAVUSSIGHW-UHFFFAOYSA-N	1	0	352.435	1.760	20	30		FDEDRO
C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1	ZINC000329695560	676649890	/nfs/dbraw/zinc/64/98/90/676649890.db2.gz	DCBGOYIIKMSHNZ-IIAWOOMASA-N	1	0	372.535	1.129	20	30		FDEDRO
CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1	ZINC000329749649	676652683	/nfs/dbraw/zinc/65/26/83/676652683.db2.gz	UKIVXJVANDVHPX-IVSAIRAKSA-N	1	0	352.479	1.841	20	30		FDEDRO
CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1	ZINC000329749648	676652743	/nfs/dbraw/zinc/65/27/43/676652743.db2.gz	UKIVXJVANDVHPX-HWMZRRJGSA-N	1	0	352.479	1.841	20	30		FDEDRO
CCC1(CC)CN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCS1(=O)=O	ZINC000329775896	676655168	/nfs/dbraw/zinc/65/51/68/676655168.db2.gz	NMYGWPBBAGKUNY-CQSZACIVSA-N	1	0	357.520	1.674	20	30		FDEDRO
Cc1nc(CNC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)no1	ZINC000329776875	676655328	/nfs/dbraw/zinc/65/53/28/676655328.db2.gz	KFMZOPLJJUXFDO-UHFFFAOYSA-N	1	0	350.467	1.142	20	30		FDEDRO
O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCC(F)(F)[C@H](CO)C1	ZINC000329792344	676656751	/nfs/dbraw/zinc/65/67/51/676656751.db2.gz	FLAVUMKRDIICPR-AWEZNQCLSA-N	1	0	361.433	1.495	20	30		FDEDRO
COCc1nc2n(n1)C[C@@H]([NH+]=C([O-])N1CCC[N@@H+](C(C)C)CC1)CC2	ZINC000329807908	676657882	/nfs/dbraw/zinc/65/78/82/676657882.db2.gz	OYSILONPXAAGBX-AWEZNQCLSA-N	1	0	350.467	1.069	20	30		FDEDRO
COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)CC2	ZINC000329812022	676658197	/nfs/dbraw/zinc/65/81/97/676658197.db2.gz	CDBJEGQJTGVONS-BFHYXJOUSA-N	1	0	350.467	1.068	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)N[C@@H]1CCCS(=O)(=O)C1)[NH+]1CCC(C)CC1	ZINC000329843049	676660251	/nfs/dbraw/zinc/66/02/51/676660251.db2.gz	NYJVZIHYINSYAS-HZPDHXFCSA-N	1	0	359.536	1.824	20	30		FDEDRO
C[N@@H+](CC(=O)NC(=O)NC1CC1)C[C@@H]1C[C@H](F)CN1c1ccncn1	ZINC000329955306	676665497	/nfs/dbraw/zinc/66/54/97/676665497.db2.gz	OHJQYSAYXJSFTL-AAEUAGOBSA-N	1	0	350.398	1.358	20	30		FDEDRO
Cc1noc([C@H]2C[C@@H](O)CN2C(=O)NCC2([NH+](C)C)CCCCC2)n1	ZINC000329970274	676666198	/nfs/dbraw/zinc/66/61/98/676666198.db2.gz	XUPDSYRRKYLMJZ-ZIAGYGMSSA-N	1	0	351.451	1.664	20	30		FDEDRO
Cc1nsc(N2CCN(CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)n1	ZINC000330064705	676670905	/nfs/dbraw/zinc/67/09/05/676670905.db2.gz	CLZJTSLNIXJHOO-UHFFFAOYSA-N	1	0	364.519	1.552	20	30		FDEDRO
Cn1nccc1C1CCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1	ZINC000330141106	676675023	/nfs/dbraw/zinc/67/50/23/676675023.db2.gz	JNCOLIIRNNDZQH-KRWDZBQOSA-N	1	0	351.520	1.951	20	30		FDEDRO
C[C@H](CNC(=O)N[C@@H]1CCO[C@]2(CCSC2)C1)CN1CCOCC1	ZINC000330210915	676678673	/nfs/dbraw/zinc/67/86/73/676678673.db2.gz	ITKAALVKRHHVMF-BFYDXBDKSA-N	1	0	357.520	1.513	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCN(c3nc(N)ns3)CC2)C1	ZINC000330212517	676678766	/nfs/dbraw/zinc/67/87/66/676678766.db2.gz	DQTLTPGSZHFZIS-CYBMUJFWSA-N	1	0	367.523	1.277	20	30		FDEDRO
CN(CCNC(=O)[C@@H]1CCC[N@@H+]1C1CC1)S(=O)(=O)c1cccs1	ZINC000330217444	676679303	/nfs/dbraw/zinc/67/93/03/676679303.db2.gz	IKVDLHIFHRGOHT-ZDUSSCGKSA-N	1	0	357.501	1.952	20	30		FDEDRO
C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@@H]1CCCCS1(=O)=O	ZINC000330236778	676680109	/nfs/dbraw/zinc/68/01/09/676680109.db2.gz	UMVNWUXAPYKIIW-HOCLYGCPSA-N	1	0	373.519	1.053	20	30		FDEDRO
COc1ccc(S(N)(=O)=O)cc1C(=O)NC1CC[NH+](C(C)(C)C)CC1	ZINC000330483821	676693066	/nfs/dbraw/zinc/69/30/66/676693066.db2.gz	VQZUOWKUDUTTFL-UHFFFAOYSA-N	1	0	369.487	1.910	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)CC)C2)CC1	ZINC000330637540	676699178	/nfs/dbraw/zinc/69/91/78/676699178.db2.gz	BDFKAXPJZVRQKW-HNNXBMFYSA-N	1	0	357.520	1.205	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)CC1	ZINC000330656244	676699917	/nfs/dbraw/zinc/69/99/17/676699917.db2.gz	QKOCMTDGHXOASC-INIZCTEOSA-N	1	0	372.535	1.345	20	30		FDEDRO
CC[C@H](NC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)c1c(C)nn(C)c1C	ZINC000330809918	676704954	/nfs/dbraw/zinc/70/49/54/676704954.db2.gz	AHPUWSZZFLJWSI-WWGRRREGSA-N	1	0	351.495	1.789	20	30		FDEDRO
CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccc(S(C)(=O)=O)s2)C1	ZINC000330942926	676710567	/nfs/dbraw/zinc/71/05/67/676710567.db2.gz	DEPGYDLSRCIVJR-LBPRGKRZSA-N	1	0	359.517	1.982	20	30		FDEDRO
C[NH+]1CCC(O)(CNC(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)CC1	ZINC000330952639	676710749	/nfs/dbraw/zinc/71/07/49/676710749.db2.gz	LEXXCWGRUJWZHC-UHFFFAOYSA-N	1	0	373.450	1.153	20	30		FDEDRO
COCCC(=O)N1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)CC1	ZINC000331120297	676717511	/nfs/dbraw/zinc/71/75/11/676717511.db2.gz	AUASMRDYQLGAAT-GOEBONIOSA-N	1	0	354.495	1.200	20	30		FDEDRO
CN(CC[NH+](C)C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cn1	ZINC000331129388	676717935	/nfs/dbraw/zinc/71/79/35/676717935.db2.gz	PNUXGUBTASOSRT-UHFFFAOYSA-N	1	0	369.491	1.295	20	30		FDEDRO
C[C@@H]1C[NH+](CCC2CCN(S(=O)(=O)N(C)CCC#N)CC2)C[C@@H](C)O1	ZINC000331167137	676719666	/nfs/dbraw/zinc/71/96/66/676719666.db2.gz	DXNJUIVBESMGBO-HZPDHXFCSA-N	1	0	372.535	1.288	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC2CCN(S(=O)(=O)C(C)C)CC2)CC1	ZINC000331309649	676726728	/nfs/dbraw/zinc/72/67/28/676726728.db2.gz	YKHYYZFVSNLMJP-UHFFFAOYSA-N	1	0	372.535	1.343	20	30		FDEDRO
CN([C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1)S(=O)(=O)CCC#N	ZINC000331323007	676727383	/nfs/dbraw/zinc/72/73/83/676727383.db2.gz	LMXFHTRHFZLOQG-SJORKVTESA-N	1	0	356.536	1.499	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1Cl	ZINC000362931262	676927563	/nfs/dbraw/zinc/92/75/63/676927563.db2.gz	JATWIDRNRJHQGH-KGLIPLIRSA-N	1	0	362.817	1.130	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CC	ZINC000363106232	676935311	/nfs/dbraw/zinc/93/53/11/676935311.db2.gz	ZVQVQDQCMJGPSM-KKUMJFAQSA-N	1	0	350.463	1.252	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C	ZINC000363989863	676983588	/nfs/dbraw/zinc/98/35/88/676983588.db2.gz	ZUXAQXNGBLNPMX-BJJXKVORSA-N	1	0	352.504	1.898	20	30		FDEDRO
CN(C(=O)CN1CC[NH+]([C@@H]2CCSC2)CC1)C1(C#N)CCCCC1	ZINC000365895924	677389974	/nfs/dbraw/zinc/38/99/74/677389974.db2.gz	WHANWHVOQIEEKO-MRXNPFEDSA-N	1	0	350.532	1.794	20	30		FDEDRO
C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1	ZINC000365943076	677393679	/nfs/dbraw/zinc/39/36/79/677393679.db2.gz	ZJGYAVBTARHDFJ-IAGOWNOFSA-N	1	0	352.475	1.043	20	30		FDEDRO
COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1	ZINC000366424730	677442706	/nfs/dbraw/zinc/44/27/06/677442706.db2.gz	WBOXIWOJPMLMIH-BMFZPTHFSA-N	1	0	351.447	1.037	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](COC)CC2)CC1	ZINC000422302296	680706306	/nfs/dbraw/zinc/70/63/06/680706306.db2.gz	XUKMGPJJVSJNRV-INIZCTEOSA-N	1	0	351.491	1.418	20	30		FDEDRO
Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CC2(CC#N)CC2)CC1	ZINC000369704871	677511636	/nfs/dbraw/zinc/51/16/36/677511636.db2.gz	SIQDERVUWNWYFI-UHFFFAOYSA-N	1	0	351.476	1.463	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)CN[C@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C	ZINC000369965373	677531827	/nfs/dbraw/zinc/53/18/27/677531827.db2.gz	WZAFFHGRULJRRO-VUHPKUFZSA-N	1	0	350.507	1.520	20	30		FDEDRO
COCCC[N@@H+]1CCCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1	ZINC000370235976	677555615	/nfs/dbraw/zinc/55/56/15/677555615.db2.gz	NRZFUZCXUIZYBV-INIZCTEOSA-N	1	0	362.499	1.769	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)Cc1cccc(C#N)c1	ZINC000370846556	677620039	/nfs/dbraw/zinc/62/00/39/677620039.db2.gz	MYDTYOQSBNBBBA-KZNAEPCWSA-N	1	0	363.483	1.572	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)[NH2+]C[C@@]1(N2CCOCC2)CCCOC1	ZINC000372007320	677826843	/nfs/dbraw/zinc/82/68/43/677826843.db2.gz	UFTPRGZXZXMSTN-MJGOQNOKSA-N	1	0	351.491	1.047	20	30		FDEDRO
Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)N3CCO[C@@H](C#N)C3)[C@H](C)C2)s1	ZINC000374180952	678074073	/nfs/dbraw/zinc/07/40/73/678074073.db2.gz	UBGXJOQZADBTSU-INWMFGNUSA-N	1	0	363.487	1.596	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H]([NH+]2CCCCCC2)C1	ZINC000374455764	678081928	/nfs/dbraw/zinc/08/19/28/678081928.db2.gz	DKQHNKINXHEJPT-QGZVFWFLSA-N	1	0	372.535	1.434	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000374458948	678082560	/nfs/dbraw/zinc/08/25/60/678082560.db2.gz	ONTVGGHIAUJKNF-OKZBNKHCSA-N	1	0	351.491	1.721	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(CC)[C@@H]1c1cc(F)c(F)c(F)c1	ZINC000374820042	678091964	/nfs/dbraw/zinc/09/19/64/678091964.db2.gz	BFXMPUVBSOAOIJ-UXEPBGEESA-N	1	0	353.388	1.967	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(C#N)s3)C2)CC1	ZINC000377059611	678439506	/nfs/dbraw/zinc/43/95/06/678439506.db2.gz	AMHLSYYFBTTYER-CQSZACIVSA-N	1	0	368.528	1.409	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)Cc3ccc(C#N)cc3)C2)CC1	ZINC000377333204	678520444	/nfs/dbraw/zinc/52/04/44/678520444.db2.gz	BYWKSQMZHZVTHX-SFHVURJKSA-N	1	0	362.499	1.100	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CCN2CCC([NH2+]C3CCCC3)CC2)nc1	ZINC000377559992	678561717	/nfs/dbraw/zinc/56/17/17/678561717.db2.gz	FJRFXTJJVQYIMB-UHFFFAOYSA-N	1	0	362.499	1.724	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1cccnc1C#N	ZINC000389883054	678778099	/nfs/dbraw/zinc/77/80/99/678778099.db2.gz	PMRVUNIARGHILJ-PBHICJAKSA-N	1	0	356.451	1.752	20	30		FDEDRO
N#Cc1c2c(sc1NC(=O)CC[NH2+][C@@H](CO)C1CCOCC1)CCC2	ZINC000411508405	679045138	/nfs/dbraw/zinc/04/51/38/679045138.db2.gz	UJTDAMPMCXMCQF-HNNXBMFYSA-N	1	0	363.483	1.814	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1	ZINC000424009142	680825652	/nfs/dbraw/zinc/82/56/52/680825652.db2.gz	HRDDPCDHNXZLKR-HIFRSBDPSA-N	1	0	351.472	1.208	20	30		FDEDRO
CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)[C@H]([NH3+])CCCC#N)c1	ZINC000424108218	680830253	/nfs/dbraw/zinc/83/02/53/680830253.db2.gz	WEGROZVXKKZLOA-OAHLLOKOSA-N	1	0	366.487	1.864	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1	ZINC000424165261	680831239	/nfs/dbraw/zinc/83/12/39/680831239.db2.gz	AMHPDKPOSKSZGY-ZFWWWQNUSA-N	1	0	350.371	1.827	20	30		FDEDRO
COc1ccc(-c2nnc(SC[C@@H](O)CN(C)CCC#N)n2C)cc1	ZINC000414095627	679330375	/nfs/dbraw/zinc/33/03/75/679330375.db2.gz	KTUPAMDULULXBK-AWEZNQCLSA-N	1	0	361.471	1.789	20	30		FDEDRO
C[NH+]1CCN(C[C@@H](O)COc2cc(Br)ccc2C#N)CC1	ZINC000414146271	679331713	/nfs/dbraw/zinc/33/17/13/679331713.db2.gz	OUOOQXXLBNDBPV-CQSZACIVSA-N	1	0	354.248	1.308	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1	ZINC000414889403	679372486	/nfs/dbraw/zinc/37/24/86/679372486.db2.gz	GKYXVXVGSQZIOS-DZGCQCFKSA-N	1	0	366.487	1.742	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1	ZINC000414894763	679372786	/nfs/dbraw/zinc/37/27/86/679372786.db2.gz	LSCJJFFYKMINRW-ZIAGYGMSSA-N	1	0	366.487	1.694	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[NH2+]C(C)(C)C2)cc1	ZINC000414896114	679373095	/nfs/dbraw/zinc/37/30/95/679373095.db2.gz	OFJHSEVQZPAIIJ-UHFFFAOYSA-N	1	0	366.487	1.709	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC[C@H]2CCC[NH2+]2)cc1	ZINC000414899461	679373357	/nfs/dbraw/zinc/37/33/57/679373357.db2.gz	USJPOUFOXUJLHF-CQSZACIVSA-N	1	0	366.487	1.757	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)ccc1Br	ZINC000415370970	679417054	/nfs/dbraw/zinc/41/70/54/679417054.db2.gz	DZKDDFDEGXYIPM-LLVKDONJSA-N	1	0	351.204	1.127	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC2(C[NH3+])CCCC2)cc1	ZINC000415592738	679460453	/nfs/dbraw/zinc/46/04/53/679460453.db2.gz	CLWGCOWUWAHBPQ-GFCCVEGCSA-N	1	0	350.444	1.765	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1	ZINC000415605325	679463631	/nfs/dbraw/zinc/46/36/31/679463631.db2.gz	XDALHUKZSXOGIL-IIYDPXPESA-N	1	0	364.471	1.821	20	30		FDEDRO
C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000415621641	679466899	/nfs/dbraw/zinc/46/68/99/679466899.db2.gz	JZTUABQHMVHIMV-JOYOIKCWSA-N	1	0	352.341	1.212	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000415621639	679466926	/nfs/dbraw/zinc/46/69/26/679466926.db2.gz	JZTUABQHMVHIMV-BXKDBHETSA-N	1	0	352.341	1.212	20	30		FDEDRO
CC(C)(CCC[NH3+])NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000415764265	679495389	/nfs/dbraw/zinc/49/53/89/679495389.db2.gz	RTJBNTVDVZAAKK-UHFFFAOYSA-N	1	0	367.247	1.893	20	30		FDEDRO
CN(C(=O)C(=O)Nc1ccc(Br)c(C#N)c1)C1CC([NH3+])C1	ZINC000415783878	679500491	/nfs/dbraw/zinc/50/04/91/679500491.db2.gz	DSAFNFZKXYFDJB-UHFFFAOYSA-N	1	0	351.204	1.207	20	30		FDEDRO
CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)s1	ZINC000415867561	679530419	/nfs/dbraw/zinc/53/04/19/679530419.db2.gz	WYJRUGUMZDXLRE-LBPRGKRZSA-N	1	0	364.471	1.432	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC2)nc1	ZINC000415993461	679541030	/nfs/dbraw/zinc/54/10/30/679541030.db2.gz	JFBXWOAQITYXAS-GFCCVEGCSA-N	1	0	356.352	1.065	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)C2)nc1	ZINC000416053316	679549675	/nfs/dbraw/zinc/54/96/75/679549675.db2.gz	VLJKGFWSMJTTTO-RYUDHWBXSA-N	1	0	357.336	1.396	20	30		FDEDRO
COC(=O)[C@@H]1CN(C(=O)Nc2cnc(C#N)c(Cl)c2)CC[N@H+](C)C1	ZINC000417188596	679748653	/nfs/dbraw/zinc/74/86/53/679748653.db2.gz	HYIXRGVPEGKGFW-JTQLQIEISA-N	1	0	351.794	1.175	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000418134497	680008383	/nfs/dbraw/zinc/00/83/83/680008383.db2.gz	NGNYHRFAWDDEMH-MJBXVCDLSA-N	1	0	364.412	1.103	20	30		FDEDRO
C=C(C)[C@@H](NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)c1ccc(F)c(F)c1	ZINC000419676941	680317002	/nfs/dbraw/zinc/31/70/02/680317002.db2.gz	MFLGXBJAQRJQBO-XJKSGUPXSA-N	1	0	351.397	1.957	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)c1ccc(F)c(F)c1	ZINC000419682975	680319537	/nfs/dbraw/zinc/31/95/37/680319537.db2.gz	UIYZXPFAZXKATA-XZJROXQQSA-N	1	0	351.397	1.894	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C)c1ccc(F)c(F)c1	ZINC000419683028	680319734	/nfs/dbraw/zinc/31/97/34/680319734.db2.gz	UUJZSHYOFBTDQM-WQGACYEGSA-N	1	0	351.397	1.894	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)[C@@H](C)C[NH2+]1	ZINC000420431261	680447330	/nfs/dbraw/zinc/44/73/30/680447330.db2.gz	XBAINAVZBQVRFF-ZJUUUORDSA-N	1	0	358.261	1.692	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1Br	ZINC000420460269	680463148	/nfs/dbraw/zinc/46/31/48/680463148.db2.gz	SAZOLMWOROCXHY-GXSJLCMTSA-N	1	0	358.261	1.726	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)C(=O)NCC(C)(C)CC#N)[NH+]1CCC(C)CC1	ZINC000421516156	680662435	/nfs/dbraw/zinc/66/24/35/680662435.db2.gz	HADFWXSSZGWQQK-MRXNPFEDSA-N	1	0	350.507	1.915	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC2CCC([NH+](C)C)CC2)cc1	ZINC000422009809	680684650	/nfs/dbraw/zinc/68/46/50/680684650.db2.gz	RQCKLADOUOJSJZ-UHFFFAOYSA-N	1	0	365.499	1.754	20	30		FDEDRO
Cc1c(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)ccc(Br)c1C#N	ZINC000425720100	680920130	/nfs/dbraw/zinc/92/01/30/680920130.db2.gz	AYGRAHNNPAAAEF-VIFPVBQESA-N	1	0	367.247	1.634	20	30		FDEDRO
C=CC[N@@H+](C)CCN(CC)[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000429725063	681046264	/nfs/dbraw/zinc/04/62/64/681046264.db2.gz	RGTNAZOTHMURTQ-CQSZACIVSA-N	1	0	368.503	1.101	20	30		FDEDRO
C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1	ZINC000432879506	681167726	/nfs/dbraw/zinc/16/77/26/681167726.db2.gz	LFFIBBOKVWNNIH-OAHLLOKOSA-N	1	0	372.512	1.112	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCCC[NH+]1CCN(CC)CC1	ZINC000437637542	681803128	/nfs/dbraw/zinc/80/31/28/681803128.db2.gz	QKOFKHQQJKTNBA-MSOLQXFVSA-N	1	0	352.523	1.685	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1	ZINC000437934037	681822628	/nfs/dbraw/zinc/82/26/28/681822628.db2.gz	PCOIMMGDEKZVLU-SJLPKXTDSA-N	1	0	352.523	1.635	20	30		FDEDRO
N#Cc1c(NC(=O)CC[NH2+][C@@H](CO)[C@H]2CCCO2)sc2c1CCCC2	ZINC000447920912	682579385	/nfs/dbraw/zinc/57/93/85/682579385.db2.gz	ISTVSLQGKLYVND-LSDHHAIUSA-N	1	0	363.483	1.957	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1	ZINC000449726123	682706514	/nfs/dbraw/zinc/70/65/14/682706514.db2.gz	WSVCTSNZUSCGCN-GFCCVEGCSA-N	1	0	365.377	1.160	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)CC2(CC#N)CC2)[C@H](C)C1	ZINC000451207059	682840549	/nfs/dbraw/zinc/84/05/49/682840549.db2.gz	ITBJXFITZUVREG-HZPDHXFCSA-N	1	0	357.520	1.737	20	30		FDEDRO
C[C@@H]1[C@H](O)CCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000451459257	682883588	/nfs/dbraw/zinc/88/35/88/682883588.db2.gz	PUUDGOKSHUNIEJ-BZUAXINKSA-N	1	0	362.499	1.302	20	30		FDEDRO
C[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C[NH+](C)C	ZINC000452011316	682999802	/nfs/dbraw/zinc/99/98/02/682999802.db2.gz	WTZYHSCPIACKDL-GXTWGEPZSA-N	1	0	362.861	1.878	20	30		FDEDRO
N#Cc1cccc(C(=O)NC[C@@H]2CCC[N@H+]2CCCO)c1Br	ZINC000452342867	683053705	/nfs/dbraw/zinc/05/37/05/683053705.db2.gz	JEMRYPTWYUJLSH-ZDUSSCGKSA-N	1	0	366.259	1.897	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@@H]2CCC[N@H+]2CCCO)cnc1C(F)(F)F	ZINC000452344683	683054194	/nfs/dbraw/zinc/05/41/94/683054194.db2.gz	OYAOMZUQIHJNCE-ZDUSSCGKSA-N	1	0	356.348	1.549	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)ccc1C#N	ZINC000453571791	683165359	/nfs/dbraw/zinc/16/53/59/683165359.db2.gz	FRJKRYLDVVNMHY-CYBMUJFWSA-N	1	0	357.439	1.681	20	30		FDEDRO
N#Cc1ncc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1Cl	ZINC000453609666	683169806	/nfs/dbraw/zinc/16/98/06/683169806.db2.gz	BBZGRPYMLGDUPX-ZDUSSCGKSA-N	1	0	361.833	1.632	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[NH+]([C@H](C)CC)CC2)cc1	ZINC000456551584	683643313	/nfs/dbraw/zinc/64/33/13/683643313.db2.gz	LYESGCDQSHKNEQ-OAHLLOKOSA-N	1	0	365.499	1.707	20	30		FDEDRO
Cc1nsc(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1C#N	ZINC000459553759	684424367	/nfs/dbraw/zinc/42/43/67/684424367.db2.gz	ISAMAWPSYHINDZ-NSHDSACASA-N	1	0	350.448	1.032	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H](CC(N)=O)C1)C(C)C	ZINC000472957460	685253271	/nfs/dbraw/zinc/25/32/71/685253271.db2.gz	GFGXWFLTAWDADR-IAGOWNOFSA-N	1	0	350.507	1.982	20	30		FDEDRO
N#CC1(CS(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CCC1	ZINC000477471847	685856615	/nfs/dbraw/zinc/85/66/15/685856615.db2.gz	ROPHJSQWNZMVTM-HOTGVXAUSA-N	1	0	355.504	1.368	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN(C(C)=O)C[C@H]1C)C(C)C	ZINC000479453220	686023052	/nfs/dbraw/zinc/02/30/52/686023052.db2.gz	JDRORTPFRFOUBH-AEFFLSMTSA-N	1	0	350.507	1.947	20	30		FDEDRO
C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000480717187	686212954	/nfs/dbraw/zinc/21/29/54/686212954.db2.gz	SMJINRQNFVLATB-CQSZACIVSA-N	1	0	368.478	1.143	20	30		FDEDRO
COC(=O)CC1([NH2+]Cc2ccc(C#N)c(F)c2)CCS(=O)(=O)CC1	ZINC000483997233	686549814	/nfs/dbraw/zinc/54/98/14/686549814.db2.gz	XJKLCUBUIGAHNT-UHFFFAOYSA-N	1	0	354.403	1.297	20	30		FDEDRO
CS[C@H]1CN(CC(=O)NCc2cccc(C#N)c2)C[C@@H]1[NH+]1CCCC1	ZINC000484614623	686613962	/nfs/dbraw/zinc/61/39/62/686613962.db2.gz	KLELOCYFEBOCLS-ROUUACIJSA-N	1	0	358.511	1.686	20	30		FDEDRO
C[C@@H](NS(=O)(=O)N(C)CCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000486682995	686924855	/nfs/dbraw/zinc/92/48/55/686924855.db2.gz	KFRATRJMNRSYCL-WBVHZDCISA-N	1	0	350.488	1.577	20	30		FDEDRO
C=CCn1cccc1C(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1	ZINC000490027065	687127236	/nfs/dbraw/zinc/12/72/36/687127236.db2.gz	SXOGYDCGKKDOPF-OAHLLOKOSA-N	1	0	353.488	1.255	20	30		FDEDRO
COCC1(C#N)CCN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1	ZINC000502905581	688317456	/nfs/dbraw/zinc/31/74/56/688317456.db2.gz	YYJBBHBUWYLIBJ-INIZCTEOSA-N	1	0	352.479	1.449	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(CCC[NH+]2CCOCC2)CC1	ZINC000509221990	689246385	/nfs/dbraw/zinc/24/63/85/689246385.db2.gz	FIBCLOOECMIATJ-INIZCTEOSA-N	1	0	372.535	1.290	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccccc2CNS(=O)(=O)[C@H](C)C#N)CC1	ZINC000510807877	689424324	/nfs/dbraw/zinc/42/43/24/689424324.db2.gz	CTWREMNOUBAVIZ-OAHLLOKOSA-N	1	0	350.488	1.156	20	30		FDEDRO
N#Cc1cccc(CNC(=O)CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1	ZINC000511664261	689550276	/nfs/dbraw/zinc/55/02/76/689550276.db2.gz	OCTIACMKATXLSE-LSDHHAIUSA-N	1	0	355.360	1.667	20	30		FDEDRO
CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1cnc2ccc(C#N)cn12	ZINC000512860005	689644533	/nfs/dbraw/zinc/64/45/33/689644533.db2.gz	FZRHDFBGWKLWPZ-ZBFHGGJFSA-N	1	0	361.471	1.404	20	30		FDEDRO
C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCN(S(C)(=O)=O)C1	ZINC000513891475	689708393	/nfs/dbraw/zinc/70/83/93/689708393.db2.gz	HPFGTVARFQZJMQ-HNNXBMFYSA-N	1	0	353.444	1.864	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NCCC[NH+]2CCCCC2)c1	ZINC000515726135	689889228	/nfs/dbraw/zinc/88/92/28/689889228.db2.gz	PSCBGNXQZAYBHK-UHFFFAOYSA-N	1	0	365.499	1.757	20	30		FDEDRO
COCC[N@H+](C)C[C@@H](O)CN1CCN(c2ccc(C#N)cc2Cl)CC1	ZINC000516191293	689928691	/nfs/dbraw/zinc/92/86/91/689928691.db2.gz	KWBINZVCEBPZFY-MRXNPFEDSA-N	1	0	366.893	1.273	20	30		FDEDRO
CNC(=O)CN1CCC([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1	ZINC000517037507	690026867	/nfs/dbraw/zinc/02/68/67/690026867.db2.gz	VPDBQUFXCXODGJ-UHFFFAOYSA-N	1	0	354.376	1.877	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCC[N@H+]2CC)c1	ZINC000521926017	694450359	/nfs/dbraw/zinc/45/03/59/694450359.db2.gz	RQGALQHNUFVULD-MRXNPFEDSA-N	1	0	365.499	1.755	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCC[N@@H+](CC)C2CC2)c1	ZINC000523611030	694536149	/nfs/dbraw/zinc/53/61/49/694536149.db2.gz	WIOOGYACXRZOJN-UHFFFAOYSA-N	1	0	351.472	1.365	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H]1CC[NH2+]C12CCC2	ZINC000528048748	694697204	/nfs/dbraw/zinc/69/72/04/694697204.db2.gz	LZWJGMYHOWDHDQ-CYBMUJFWSA-N	1	0	370.272	1.884	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1	ZINC000639027099	695421617	/nfs/dbraw/zinc/42/16/17/695421617.db2.gz	JVKJBFMEBNNQQY-RDJZCZTQSA-N	1	0	363.483	1.365	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(S(C)(=O)=O)cn2)CC1	ZINC000640530762	695592634	/nfs/dbraw/zinc/59/26/34/695592634.db2.gz	CQFOCZGQJYLQMI-UHFFFAOYSA-N	1	0	352.460	1.647	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1NC1CC[NH+](CCOC)CC1	ZINC000641311357	696042381	/nfs/dbraw/zinc/04/23/81/696042381.db2.gz	XLQAAXFYBBQFRJ-UHFFFAOYSA-N	1	0	353.488	1.674	20	30		FDEDRO
N#Cc1cc(Cl)ncc1C(F)(F)N1CCCO[C@]2(C[NH2+]CCOC2)C1	ZINC001164423079	718915402	/nfs/dbraw/zinc/91/54/02/718915402.db2.gz	DUPBRHWAJCYLMO-OAHLLOKOSA-N	1	0	372.803	1.737	20	30		FDEDRO
C=CCNC(=O)c1cccnc1N1Cc2nccn2C[C@@H](C[NH+](C)C)C1	ZINC001164734228	720524095	/nfs/dbraw/zinc/52/40/95/720524095.db2.gz	OLSUEJUIXHECBA-OAHLLOKOSA-N	1	0	354.458	1.392	20	30		FDEDRO
COC(=O)c1cc(C#N)cnc1N1Cc2nccn2C[C@H](C[NH+](C)C)C1	ZINC001164735533	720531173	/nfs/dbraw/zinc/53/11/73/720531173.db2.gz	PCCKXHTWSOIUIH-AWEZNQCLSA-N	1	0	354.414	1.134	20	30		FDEDRO
COc1ccnc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1C#N	ZINC001164727348	720559453	/nfs/dbraw/zinc/55/94/53/720559453.db2.gz	FDGOUWLYIVZWQM-UHFFFAOYSA-N	1	0	352.442	1.817	20	30		FDEDRO
N#CCc1cnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c(Cl)c1	ZINC001164748829	720793712	/nfs/dbraw/zinc/79/37/12/720793712.db2.gz	RNGLPZVHQAMIBP-LSDHHAIUSA-N	1	0	370.844	1.933	20	30		FDEDRO
Cc1cnc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c(C=NO)c1	ZINC001164761222	721176325	/nfs/dbraw/zinc/17/63/25/721176325.db2.gz	AEHGROXOXVLXJP-WMZOPIPTSA-N	1	0	354.458	1.890	20	30		FDEDRO
Cc1nc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)ccc1C#N	ZINC001164874306	721279431	/nfs/dbraw/zinc/27/94/31/721279431.db2.gz	PQUCNVUHENYRKW-UHFFFAOYSA-N	1	0	371.485	1.269	20	30		FDEDRO
CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nccc(F)c4C#N)C3)O2)CC1	ZINC001164891921	721419913	/nfs/dbraw/zinc/41/99/13/721419913.db2.gz	WQOIPRDLYRHYCL-OXJNMPFZSA-N	1	0	373.476	1.858	20	30		FDEDRO
N#Cc1cncc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1	ZINC001164958178	722053560	/nfs/dbraw/zinc/05/35/60/722053560.db2.gz	DRUJYKLPSBEWMA-UHFFFAOYSA-N	1	0	364.453	1.862	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2C#N)C1	ZINC001022719551	782583469	/nfs/dbraw/zinc/58/34/69/782583469.db2.gz	LQGGVNQUGHBZSA-VVLHAWIVSA-N	1	0	358.417	1.158	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CC(C)(C)CO2)C[C@H]1C	ZINC001104410966	782593879	/nfs/dbraw/zinc/59/38/79/782593879.db2.gz	JNDYYNYVXMTEIW-ZACQAIPSSA-N	1	0	365.518	1.568	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1	ZINC001022723167	782627168	/nfs/dbraw/zinc/62/71/68/782627168.db2.gz	LAOCSQILWZBANT-AYOQOUSVSA-N	1	0	368.481	1.623	20	30		FDEDRO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCN(C)[C@@H](C#N)C1	ZINC000274548903	768863299	/nfs/dbraw/zinc/86/32/99/768863299.db2.gz	WPGFXCRPVFKUCA-KVPLUYHFSA-N	1	0	369.513	1.992	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)CC1	ZINC000866846826	769023738	/nfs/dbraw/zinc/02/37/38/769023738.db2.gz	DDKFUYXUQZUIEV-UHFFFAOYSA-N	1	0	355.435	1.165	20	30		FDEDRO
C#CCN(CC#CC)C(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1	ZINC000784925217	769636248	/nfs/dbraw/zinc/63/62/48/769636248.db2.gz	UUHXUVSEDDXZFE-UHFFFAOYSA-N	1	0	369.490	1.659	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C	ZINC001020455948	769844261	/nfs/dbraw/zinc/84/42/61/769844261.db2.gz	PZWPHKBCBREGPC-TXTZMMAHSA-N	1	0	363.502	1.558	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCO[C@@H]3C[N@H+](C[C@H]4CCCCO4)C[C@@H]32)c1	ZINC001083188154	769981172	/nfs/dbraw/zinc/98/11/72/769981172.db2.gz	HGBPOUFRXHSYCU-CEXWTWQISA-N	1	0	355.438	1.157	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)c2ccncc2)C[C@H]1C	ZINC001104224212	770010351	/nfs/dbraw/zinc/01/03/51/770010351.db2.gz	MCGIYQUXQRMINZ-SJLPKXTDSA-N	1	0	358.486	1.852	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)N2CCCCCC2)C1	ZINC001022737310	782800707	/nfs/dbraw/zinc/80/07/07/782800707.db2.gz	TXHCIPZWRKEIKM-SFFUCWETSA-N	1	0	363.502	1.605	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NCc2cccc(N3CCOCC3)n2)cc1OC	ZINC000274779101	770121167	/nfs/dbraw/zinc/12/11/67/770121167.db2.gz	NMVXKMARVVFHOR-UHFFFAOYSA-N	1	0	371.441	1.862	20	30		FDEDRO
C=C(C)CN1C[C@H]2OCCN(C(=O)c3ccc(CCC(N)=O)cc3)[C@H]2C1	ZINC001083189827	770156003	/nfs/dbraw/zinc/15/60/03/770156003.db2.gz	KDKSJSGKLRPAHY-ZWKOTPCHSA-N	1	0	357.454	1.206	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCc2cnn(CC)c2)C1	ZINC000969693794	770673906	/nfs/dbraw/zinc/67/39/06/770673906.db2.gz	WSEKEXQYIDATBK-LZQZEXGQSA-N	1	0	360.502	1.863	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C[C@H]1C	ZINC001104228974	770742044	/nfs/dbraw/zinc/74/20/44/770742044.db2.gz	XCUZGGYPUZTBHL-BHIYHBOVSA-N	1	0	359.514	1.733	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC(F)(F)F)C[C@H]1c1ccccc1	ZINC001211546186	782879137	/nfs/dbraw/zinc/87/91/37/782879137.db2.gz	ZKFXJODPWVQNJX-LSDHHAIUSA-N	1	0	367.371	1.272	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NC)cc2)C1	ZINC001020604715	770981933	/nfs/dbraw/zinc/98/19/33/770981933.db2.gz	LKBUGKITVBWMPR-TVFCKZIOSA-N	1	0	357.454	1.374	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](NC(=O)C(C)(C)CC=C)C1	ZINC001208963449	770983108	/nfs/dbraw/zinc/98/31/08/770983108.db2.gz	KTEXBUQBYGNHTQ-ZIAGYGMSSA-N	1	0	350.463	1.037	20	30		FDEDRO
C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(C#N)cs1	ZINC000510151397	771097326	/nfs/dbraw/zinc/09/73/26/771097326.db2.gz	WQZDZJLTLSNNRN-INIZCTEOSA-N	1	0	370.478	1.639	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cccc3n[nH]nc32)C[C@H]1C	ZINC001104230353	771241794	/nfs/dbraw/zinc/24/17/94/771241794.db2.gz	RXPVBHZLSJFWEU-HUUCEWRRSA-N	1	0	357.458	1.848	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1	ZINC000970073930	771301955	/nfs/dbraw/zinc/30/19/55/771301955.db2.gz	AHDXOJJYPRQHPP-CVEARBPZSA-N	1	0	351.491	1.009	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cnccn2)C1=O	ZINC001087112591	771443507	/nfs/dbraw/zinc/44/35/07/771443507.db2.gz	FRUCWEWXXSALOD-OWCLPIDISA-N	1	0	357.458	1.094	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1	ZINC000970142740	771503588	/nfs/dbraw/zinc/50/35/88/771503588.db2.gz	ASVWWZBJVIPMHL-CABCVRRESA-N	1	0	363.458	1.245	20	30		FDEDRO
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(c3nc(Cl)c(C#N)cc3C#N)C[C@H]1C2	ZINC001167230070	771775792	/nfs/dbraw/zinc/77/57/92/771775792.db2.gz	DYRBCFRMGUQGSA-NPSOMJIGSA-N	1	0	371.828	1.313	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](Cc3cccc(C)c3)C[C@@H]21	ZINC001083198531	771823141	/nfs/dbraw/zinc/82/31/41/771823141.db2.gz	AGVTXXLZLSZRLL-FUMNGEBKSA-N	1	0	356.466	1.998	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(Cc3conc3CC)C[C@@H]21	ZINC001083198870	771826727	/nfs/dbraw/zinc/82/67/27/771826727.db2.gz	VRDVQPFEEVFOAW-LAVFITLUSA-N	1	0	361.442	1.240	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000668619189	782971501	/nfs/dbraw/zinc/97/15/01/782971501.db2.gz	ZVWVBXKYPNHZHO-QZTJIDSGSA-N	1	0	350.507	1.084	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)C(C)(C)COC)C[C@H]2C)C1=O	ZINC001104417233	782971601	/nfs/dbraw/zinc/97/16/01/782971601.db2.gz	DWXBZTPOAMMLFM-ZACQAIPSSA-N	1	0	365.518	1.520	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCC(=O)NC2=O)C1	ZINC001112512612	782984650	/nfs/dbraw/zinc/98/46/50/782984650.db2.gz	LQVDRFFNFOHFGG-YRNRMSPPSA-N	1	0	359.470	1.204	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1	ZINC000972234830	782986515	/nfs/dbraw/zinc/98/65/15/782986515.db2.gz	LGTUNQLBPXFEFW-QLFBSQMISA-N	1	0	353.894	1.776	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2O)CC1	ZINC000970336444	772362257	/nfs/dbraw/zinc/36/22/57/772362257.db2.gz	NQJCRSIGGSOGLH-SJORKVTESA-N	1	0	363.502	1.153	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2O)CC1	ZINC000970333719	772378728	/nfs/dbraw/zinc/37/87/28/772378728.db2.gz	LLPYIAGOELOJRF-MSOLQXFVSA-N	1	0	368.437	1.382	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1	ZINC000972246547	783012719	/nfs/dbraw/zinc/01/27/19/783012719.db2.gz	OOQJIKOWRLYTHA-TVFCKZIOSA-N	1	0	361.486	1.123	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C)C1)OCC	ZINC001104255418	772435799	/nfs/dbraw/zinc/43/57/99/772435799.db2.gz	PQEOKFREZPVYKK-ZACQAIPSSA-N	1	0	353.507	1.520	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C[C@@H]2O)C1	ZINC000970378157	772498813	/nfs/dbraw/zinc/49/88/13/772498813.db2.gz	OFMQIWKIOFJKLB-BBWFWOEESA-N	1	0	363.502	1.153	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)c2cccc(OCC(N)=O)c2)C[C@H]1C	ZINC001104262604	772547316	/nfs/dbraw/zinc/54/73/16/772547316.db2.gz	CGQCLFLAXNWWQC-NVXWUHKLSA-N	1	0	359.470	1.815	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2=COCCC2)C[C@H]1c1ccccc1	ZINC001211549063	783027105	/nfs/dbraw/zinc/02/71/05/783027105.db2.gz	ARDIJIACMJXFIZ-RBUKOAKNSA-N	1	0	367.449	1.014	20	30		FDEDRO
C[C@@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C1C[NH+](Cc2ccc(C#N)cc2)C1	ZINC000970432533	772625089	/nfs/dbraw/zinc/62/50/89/772625089.db2.gz	ABQNXTKZBQTNOC-XYPHTWIQSA-N	1	0	354.454	1.396	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CCN1c1cc[nH+]cc1	ZINC000890988840	772665621	/nfs/dbraw/zinc/66/56/21/772665621.db2.gz	HEVVNESHIZJJPN-CYBMUJFWSA-N	1	0	367.384	1.768	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc3c(o2)CCCC3)C[C@H]1C	ZINC001104282493	772775206	/nfs/dbraw/zinc/77/52/06/772775206.db2.gz	DQOOOMOCDSHREP-NVXWUHKLSA-N	1	0	371.481	1.596	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1	ZINC001021324574	772913106	/nfs/dbraw/zinc/91/31/06/772913106.db2.gz	GNHCOKPTEVCTRL-JLJPHGGASA-N	1	0	355.442	1.044	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1	ZINC001021327489	772929146	/nfs/dbraw/zinc/92/91/46/772929146.db2.gz	TWSXBORTCMHBJI-CGTJXYLNSA-N	1	0	369.469	1.434	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCn2nc(C)cc2C)C1	ZINC000970572591	772990455	/nfs/dbraw/zinc/99/04/55/772990455.db2.gz	WODVQPHQPUOHII-NEWSRXKRSA-N	1	0	360.502	1.918	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(CO)(OC)CC2)c(OC)c1	ZINC000683679584	773009541	/nfs/dbraw/zinc/00/95/41/773009541.db2.gz	RKVHNOAXPZJENP-QGZVFWFLSA-N	1	0	365.470	1.637	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1	ZINC001104286975	773046676	/nfs/dbraw/zinc/04/66/76/773046676.db2.gz	OVPMCKKAAWZHFN-AYOQOUSVSA-N	1	0	368.481	1.659	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC3COC3)cc2)CC1	ZINC000275681169	773143253	/nfs/dbraw/zinc/14/32/53/773143253.db2.gz	PIHUQKCMEKQGPT-UHFFFAOYSA-N	1	0	373.453	1.559	20	30		FDEDRO
C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#C[C@@H]1CCCCO1	ZINC000891108351	773282693	/nfs/dbraw/zinc/28/26/93/773282693.db2.gz	ZQSQXKYGNKVMOQ-GJZGRUSLSA-N	1	0	353.463	1.130	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1	ZINC001021429916	773316647	/nfs/dbraw/zinc/31/66/47/773316647.db2.gz	VYVHYUDTJJBHOP-GRDNDAEWSA-N	1	0	355.442	1.044	20	30		FDEDRO
C#CC1(F)CN(C(=O)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)C1	ZINC000891169898	773527857	/nfs/dbraw/zinc/52/78/57/773527857.db2.gz	WJKBEMZSISEHAJ-UHFFFAOYSA-N	1	0	372.444	1.339	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCCS2(=O)=O)C[C@H]1C	ZINC001104289552	773586958	/nfs/dbraw/zinc/58/69/58/773586958.db2.gz	NGGLMSOJWGZBKI-BRWVUGGUSA-N	1	0	356.532	1.994	20	30		FDEDRO
COC(=O)c1ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc1C	ZINC000275764514	773685591	/nfs/dbraw/zinc/68/55/91/773685591.db2.gz	CVKAFOCALUAIAL-UHFFFAOYSA-N	1	0	374.441	1.414	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCNC(=O)CC1)C2	ZINC001112494826	773940636	/nfs/dbraw/zinc/94/06/36/773940636.db2.gz	XDXAIEGWZKLYDQ-MPGHIAIKSA-N	1	0	353.894	1.874	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4CC4(F)F)[C@@H]3C2)CC1	ZINC001021563112	773953749	/nfs/dbraw/zinc/95/37/49/773953749.db2.gz	BJZGXMGSSKMAOR-HRCADAONSA-N	1	0	365.424	1.046	20	30		FDEDRO
CN1CCOc2ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc21	ZINC000275846979	774096338	/nfs/dbraw/zinc/09/63/38/774096338.db2.gz	KHINDOSGWCOPMP-UHFFFAOYSA-N	1	0	373.457	1.148	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cnsn2)C1=O	ZINC001087126724	774314871	/nfs/dbraw/zinc/31/48/71/774314871.db2.gz	IBDPCSXFDXHTGH-RDBSUJKOSA-N	1	0	363.487	1.155	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2cnccc2C)C[C@H]1C	ZINC001104305973	774437167	/nfs/dbraw/zinc/43/71/67/774437167.db2.gz	CZOHYMDQVOQSGZ-IAGOWNOFSA-N	1	0	358.486	1.309	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(=O)NCC)CC1	ZINC001167422461	774564073	/nfs/dbraw/zinc/56/40/73/774564073.db2.gz	RDLVOJKVIRZAKW-RDJZCZTQSA-N	1	0	351.491	1.370	20	30		FDEDRO
C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1CC[C@H](O)CC1	ZINC000275944642	774739001	/nfs/dbraw/zinc/73/90/01/774739001.db2.gz	ZAKCDTKTGGBQME-JCNLHEQBSA-N	1	0	353.426	1.918	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000656356134	775129947	/nfs/dbraw/zinc/12/99/47/775129947.db2.gz	QSKNRCQITCHSOL-ZWKOTPCHSA-N	1	0	359.470	1.970	20	30		FDEDRO
N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)CC2	ZINC000276023856	775255057	/nfs/dbraw/zinc/25/50/57/775255057.db2.gz	NQASPTIDUXQFDP-QGZVFWFLSA-N	1	0	352.438	1.534	20	30		FDEDRO
C=CCC[N@@H+](C)CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O	ZINC000276084451	775738898	/nfs/dbraw/zinc/73/88/98/775738898.db2.gz	BIGQMMHYYIEEAI-IBGZPJMESA-N	1	0	358.442	1.469	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1	ZINC001021803323	775761847	/nfs/dbraw/zinc/76/18/47/775761847.db2.gz	XKSCQYDTNOWSLF-SFNKJDCFSA-N	1	0	370.497	1.687	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCCOC)C1	ZINC001104731711	790388970	/nfs/dbraw/zinc/38/89/70/790388970.db2.gz	UCBZPZRWVQJDQE-IAGOWNOFSA-N	1	0	367.534	1.816	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)COCc2cc(C)on2)C[C@H]1C	ZINC001104339037	775811458	/nfs/dbraw/zinc/81/14/58/775811458.db2.gz	UBUBEXBWSXBHLB-NVXWUHKLSA-N	1	0	363.458	1.224	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC(N)=O)C1	ZINC001104731337	790391759	/nfs/dbraw/zinc/39/17/59/790391759.db2.gz	CVPAJGDSRGJGDQ-HZSPNIEDSA-N	1	0	352.479	1.246	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C[C@H](O)COc1ccc(C#N)cc1	ZINC000278809507	790402432	/nfs/dbraw/zinc/40/24/32/790402432.db2.gz	ZYYIOUWQSIPUAU-APWZRJJASA-N	1	0	359.470	1.483	20	30		FDEDRO
C[C@H](NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccc(C#N)cc1	ZINC000891370042	775937646	/nfs/dbraw/zinc/93/76/46/775937646.db2.gz	INPKLHDSECMLHB-DXEWXGHRSA-N	1	0	369.425	1.196	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)CC(C)(C)C)[C@@H]3C2)CC1	ZINC000971342261	775943657	/nfs/dbraw/zinc/94/36/57/775943657.db2.gz	YOIXWKKPQRDYAT-QZTJIDSGSA-N	1	0	359.514	1.827	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(-n3cncn3)nc1)C2	ZINC001112503344	776093335	/nfs/dbraw/zinc/09/33/35/776093335.db2.gz	LOTLBYOXXFWQQD-PXNSSMCTSA-N	1	0	364.453	1.518	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@H](C)C(C)C)C[C@H]32)CC1	ZINC001021886698	776501738	/nfs/dbraw/zinc/50/17/38/776501738.db2.gz	PBRSBZFUISVRGL-NZSAHSFTSA-N	1	0	359.514	1.683	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)c4cc[nH]c4)C[C@H]32)CC1	ZINC001021886817	776502599	/nfs/dbraw/zinc/50/25/99/776502599.db2.gz	UAFBMCLQSJBQNI-ZWKOTPCHSA-N	1	0	354.454	1.033	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccccn2)C[C@H]1c1ccccc1	ZINC001211514738	776854493	/nfs/dbraw/zinc/85/44/93/776854493.db2.gz	DOSLXWYGLPTGRN-PKOBYXMFSA-N	1	0	362.433	1.029	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(F)F)C[C@H]1c1ccccc1	ZINC001211515173	776969690	/nfs/dbraw/zinc/96/96/90/776969690.db2.gz	MUBPVQGZMMNQDM-LSDHHAIUSA-N	1	0	351.397	1.528	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cccn(C(C)(C)C)c3=O)[C@H]2C1	ZINC001083218892	776986538	/nfs/dbraw/zinc/98/65/38/776986538.db2.gz	PBJNUNWTYROWER-DLBZAZTESA-N	1	0	357.454	1.152	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OC)CCC1	ZINC000933304020	777068997	/nfs/dbraw/zinc/06/89/97/777068997.db2.gz	XESYEHTVBKOJPX-SFHVURJKSA-N	1	0	367.449	1.904	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cc(=O)n(C)o2)[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001087157063	777117870	/nfs/dbraw/zinc/11/78/70/777117870.db2.gz	NBSSMFULUOCLOC-PBHICJAKSA-N	1	0	368.437	1.880	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H]2CCC(=O)N2C)C1	ZINC001075422161	777263012	/nfs/dbraw/zinc/26/30/12/777263012.db2.gz	OFSXCAMPWUJXQY-BHIYHBOVSA-N	1	0	371.456	1.601	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)c2coc(S(N)(=O)=O)c2)C[C@H]1C	ZINC001104363873	777490789	/nfs/dbraw/zinc/49/07/89/777490789.db2.gz	LXQCCGSJIIOCFN-ZIAGYGMSSA-N	1	0	369.487	1.581	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC[C@@H](C)C2)C1	ZINC001022099864	777918895	/nfs/dbraw/zinc/91/88/95/777918895.db2.gz	RRYJEHRBCQDWII-SFFUCWETSA-N	1	0	363.502	1.463	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3ccccc3OC(C)C)[C@H]2C1	ZINC001083223112	778301627	/nfs/dbraw/zinc/30/16/27/778301627.db2.gz	FGJHOUXUWYCRQN-AZUAARDMSA-N	1	0	356.466	1.951	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1c1ccccc1	ZINC001211520279	778589630	/nfs/dbraw/zinc/58/96/30/778589630.db2.gz	BENIHCOAFCBJNA-ZWKOTPCHSA-N	1	0	356.422	1.109	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cc(CN(C)C)on2)C[C@H]1C	ZINC001104375242	778590569	/nfs/dbraw/zinc/59/05/69/778590569.db2.gz	COBYIFRVTXNTCG-HZPDHXFCSA-N	1	0	364.490	1.627	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)C1	ZINC000971709150	778758396	/nfs/dbraw/zinc/75/83/96/778758396.db2.gz	JAQAYPPFISSXDL-XCRHUMRWSA-N	1	0	361.417	1.534	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)cc3F)C2)O1	ZINC001022276177	779081392	/nfs/dbraw/zinc/08/13/92/779081392.db2.gz	BCOJFCNINZNXAP-GMLZMKKNSA-N	1	0	360.433	1.153	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CSC)C[C@H]1c1ccccc1	ZINC001211522452	779097304	/nfs/dbraw/zinc/09/73/04/779097304.db2.gz	SWCPKSJWQYBTMW-HYVNUMGLSA-N	1	0	361.511	1.624	20	30		FDEDRO
COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@H]2C)cc1C#N	ZINC001104379950	779167091	/nfs/dbraw/zinc/16/70/91/779167091.db2.gz	UMIOPGJVKMCLTI-UKRRQHHQSA-N	1	0	368.441	1.573	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)[C@H](C4CC4)[NH+](C)C)C[C@H]32)cn1	ZINC001022294343	779192287	/nfs/dbraw/zinc/19/22/87/779192287.db2.gz	CEICCYILCSPZCN-UHOSZYNNSA-N	1	0	366.465	1.076	20	30		FDEDRO
CC(C)[NH+](CCNC(=O)C(=O)Nc1ccc(F)cc1OCC#N)C(C)C	ZINC000161080730	779215858	/nfs/dbraw/zinc/21/58/58/779215858.db2.gz	ZSHWDRTXXQJPLK-UHFFFAOYSA-N	1	0	364.421	1.902	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)[N@H+](C)C1	ZINC000328894372	779277022	/nfs/dbraw/zinc/27/70/22/779277022.db2.gz	AUHFRNQIERWNKT-ROUUACIJSA-N	1	0	374.485	1.006	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)NC(C)=O)C[C@H]1c1ccccc1	ZINC001211524417	779309252	/nfs/dbraw/zinc/30/92/52/779309252.db2.gz	JXBWCTRKJSUYBK-AYOQOUSVSA-N	1	0	359.470	1.298	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)C2=O)cc1	ZINC000891766591	779314548	/nfs/dbraw/zinc/31/45/48/779314548.db2.gz	ZTFPRHWATQUGOR-HLLBOEOZSA-N	1	0	353.426	1.199	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)[N@H+](C)C1	ZINC000328926803	779343551	/nfs/dbraw/zinc/34/35/51/779343551.db2.gz	FKRLGLHVCTWAMK-PMPSAXMXSA-N	1	0	364.421	1.472	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C[C@H]2CCNC2=O)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087174423	779409635	/nfs/dbraw/zinc/40/96/35/779409635.db2.gz	RKYNHEVGNZKAOJ-LZQZEXGQSA-N	1	0	368.481	1.801	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C[C@H]2CCNC2=O)[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001087174298	779415890	/nfs/dbraw/zinc/41/58/90/779415890.db2.gz	MGJVANGEOQLPLR-MDZRGWNJSA-N	1	0	368.481	1.801	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)cc1	ZINC001022335398	779435043	/nfs/dbraw/zinc/43/50/43/779435043.db2.gz	LXHKQSMRPSAZBP-RBUKOAKNSA-N	1	0	363.461	1.437	20	30		FDEDRO
N#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@@]45CC[N@H+](C4)CCC5)C[C@H]32)[nH]1	ZINC000971848006	779960869	/nfs/dbraw/zinc/96/08/69/779960869.db2.gz	OIVQXSICOZFHQI-ZTQAJYAQSA-N	1	0	367.453	1.045	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)C1	ZINC000971850596	779982849	/nfs/dbraw/zinc/98/28/49/779982849.db2.gz	ARKIPVMVCTWKMD-RHSMWYFYSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2O)CC1	ZINC001025489269	790801424	/nfs/dbraw/zinc/80/14/24/790801424.db2.gz	JGGXXBXNYBANLU-ZACQAIPSSA-N	1	0	351.491	1.007	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)ccc1F	ZINC001022475812	780548429	/nfs/dbraw/zinc/54/84/29/780548429.db2.gz	KYAJEUVTRLGKLM-YUAHOQAQSA-N	1	0	373.428	1.486	20	30		FDEDRO
COC(=O)C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C(C)(C)C	ZINC000934033265	780651602	/nfs/dbraw/zinc/65/16/02/780651602.db2.gz	YEZMWYBAKRAADN-HNNXBMFYSA-N	1	0	352.456	1.899	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2occc2C)C[C@H]1c1ccccc1	ZINC001211530341	780731104	/nfs/dbraw/zinc/73/11/04/780731104.db2.gz	XRPJGPNKQMKWKY-ZWKOTPCHSA-N	1	0	365.433	1.535	20	30		FDEDRO
N#Cc1ncccc1S(=O)(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1	ZINC000277085959	780735361	/nfs/dbraw/zinc/73/53/61/780735361.db2.gz	VDZGNENAJVQVCJ-QGZVFWFLSA-N	1	0	370.478	1.796	20	30		FDEDRO
CCCCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC#N)C1	ZINC001211532569	780928075	/nfs/dbraw/zinc/92/80/75/780928075.db2.gz	XQNXNQXSQRNGAY-ZWKOTPCHSA-N	1	0	356.470	1.791	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1	ZINC000376911379	790843575	/nfs/dbraw/zinc/84/35/75/790843575.db2.gz	PJRVQFDZILJZTC-MRXNPFEDSA-N	1	0	355.438	1.724	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(c2ccc(F)cc2C#N)CC1)[C@H]1CCC[NH2+]C1	ZINC000891979702	781018829	/nfs/dbraw/zinc/01/88/29/781018829.db2.gz	AYKLQMHXTDFAKX-GJZGRUSLSA-N	1	0	359.449	1.917	20	30		FDEDRO
C=C(C)C[NH+]1CCC(N2C(=O)N[C@H](CSCC(=O)OCC)C2=O)CC1	ZINC000924600787	790845762	/nfs/dbraw/zinc/84/57/62/790845762.db2.gz	TVQRHBAUQJHEPW-CQSZACIVSA-N	1	0	369.487	1.244	20	30		FDEDRO
C[C@@H](CC(N)=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001112509019	781039465	/nfs/dbraw/zinc/03/94/65/781039465.db2.gz	GPACERUQWSIHAD-XERREHJYSA-N	1	0	368.481	1.788	20	30		FDEDRO
N#Cc1ccc(CN2C[C@H]3OCCN(C(=O)CCn4cccc4)[C@H]3C2)cc1	ZINC001083234250	781194402	/nfs/dbraw/zinc/19/44/02/781194402.db2.gz	VBERTYMZNGUKFB-VQTJNVASSA-N	1	0	364.449	1.862	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(OCC(N)=O)cc2)C[C@H]1C	ZINC001104399461	781783431	/nfs/dbraw/zinc/78/34/31/781783431.db2.gz	KARQKZWXWZTWQW-NVXWUHKLSA-N	1	0	357.454	1.262	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1	ZINC000892157413	781872671	/nfs/dbraw/zinc/87/26/71/781872671.db2.gz	RFYPGIOZSIXLPO-HNNXBMFYSA-N	1	0	367.375	1.526	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1	ZINC000277433693	781880473	/nfs/dbraw/zinc/88/04/73/781880473.db2.gz	NDBZDOBEUKJEEG-QGZVFWFLSA-N	1	0	359.470	1.999	20	30		FDEDRO
C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)Nc1ccc(C#N)cc1F	ZINC000892284689	783394793	/nfs/dbraw/zinc/39/47/93/783394793.db2.gz	NHMFKQARXXYBSQ-CYBMUJFWSA-N	1	0	367.384	1.768	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N2CCO[C@@H]3CN(Cc4ccccc4C#N)C[C@@H]32)C1	ZINC001083247806	783437527	/nfs/dbraw/zinc/43/75/27/783437527.db2.gz	GBBAESZWOIXFQV-FFZOFVMBSA-N	1	0	368.481	1.312	20	30		FDEDRO
C=CCn1c([C@H]2CCO[C@H]2C)nnc1N1CC[NH+](C2CCOCC2)CC1	ZINC000647370831	783726973	/nfs/dbraw/zinc/72/69/73/783726973.db2.gz	DBPDDALXRQSVAD-RDJZCZTQSA-N	1	0	361.490	1.658	20	30		FDEDRO
C=CCn1c([C@H]2CCO[C@@H]2C)nnc1N1CC[NH+](C2CCOCC2)CC1	ZINC000647370832	783727058	/nfs/dbraw/zinc/72/70/58/783727058.db2.gz	DBPDDALXRQSVAD-WBVHZDCISA-N	1	0	361.490	1.658	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)cn2C)C[C@H]1c1ccccc1	ZINC001211629540	783811573	/nfs/dbraw/zinc/81/15/73/783811573.db2.gz	XFISHEBNUOWSKG-ZWKOTPCHSA-N	1	0	364.449	1.345	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C3(C)CC(=C)C3)C[C@H]21	ZINC000972835448	783904166	/nfs/dbraw/zinc/90/41/66/783904166.db2.gz	UQVDESWCJFGMMT-FGTMMUONSA-N	1	0	355.482	1.500	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CCCN(C)C(=O)C[NH+]1CCCC1	ZINC001067467377	784000893	/nfs/dbraw/zinc/00/08/93/784000893.db2.gz	YMTHJQNAFLFIOK-WMZOPIPTSA-N	1	0	351.491	1.370	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1	ZINC000658494442	784147186	/nfs/dbraw/zinc/14/71/86/784147186.db2.gz	BWQUFLIZBSLTGW-KRWDZBQOSA-N	1	0	364.534	1.286	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ccn(C)c(=O)c2)C1	ZINC001024165771	784174667	/nfs/dbraw/zinc/17/46/67/784174667.db2.gz	WMIGNEMWXKIUHM-KSZLIROESA-N	1	0	359.470	1.305	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@H]2O)C1	ZINC001025545769	791013226	/nfs/dbraw/zinc/01/32/26/791013226.db2.gz	MZNQOSUQHZPBBC-BRWVUGGUSA-N	1	0	363.502	1.151	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2cnns2)C1	ZINC001024195648	784307404	/nfs/dbraw/zinc/30/74/04/784307404.db2.gz	FMFCFNWLPYYNLM-BPUTZDHNSA-N	1	0	350.488	1.848	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2csnn2)C1	ZINC001024196367	784307773	/nfs/dbraw/zinc/30/77/73/784307773.db2.gz	RXPKIOLRVPKXCC-BPUTZDHNSA-N	1	0	350.488	1.848	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2cnn(CC)n2)C1	ZINC001024196565	784308647	/nfs/dbraw/zinc/30/86/47/784308647.db2.gz	XZMFVICJGVMVJE-NJAFHUGGSA-N	1	0	361.490	1.607	20	30		FDEDRO
CC[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)N1CCCC1=O	ZINC000414898491	791018435	/nfs/dbraw/zinc/01/84/35/791018435.db2.gz	AMZNEGYYVYRBLB-SFHVURJKSA-N	1	0	356.470	1.849	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC000364820219	785189088	/nfs/dbraw/zinc/18/90/88/785189088.db2.gz	JJIMTNCQXFAFAS-HUUCEWRRSA-N	1	0	357.458	1.796	20	30		FDEDRO
CN(C(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1)[C@@H]1CCC[N@H+](C)C1	ZINC000364971305	785250137	/nfs/dbraw/zinc/25/01/37/785250137.db2.gz	DLARNRIXKJVBKJ-MSOLQXFVSA-N	1	0	354.454	1.602	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)/C=C/c4ccco4)[C@@H]3C2)C1=O	ZINC001075499296	785261937	/nfs/dbraw/zinc/26/19/37/785261937.db2.gz	NYIOZDYQOFSZOK-WAPNHWMOSA-N	1	0	355.438	1.612	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c(OC)c1	ZINC000375953073	785361138	/nfs/dbraw/zinc/36/11/38/785361138.db2.gz	HPLBWGJQADUHGS-QGZVFWFLSA-N	1	0	359.470	1.309	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1	ZINC000375975842	785424694	/nfs/dbraw/zinc/42/46/94/785424694.db2.gz	SORGFKAPDWVLII-PJIJBLCYSA-N	1	0	368.441	1.571	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CCCC[C@H]2CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)c1	ZINC001024655176	785631302	/nfs/dbraw/zinc/63/13/02/785631302.db2.gz	WBGSBACNTCMDRZ-QYZOEREBSA-N	1	0	368.481	1.931	20	30		FDEDRO
COc1ccc(CN2CCCC[C@@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)cc1C#N	ZINC001024656206	785634804	/nfs/dbraw/zinc/63/48/04/785634804.db2.gz	ITMRUGMBIRMTON-ZACQAIPSSA-N	1	0	370.453	1.159	20	30		FDEDRO
COc1cccc(CN(C)C(=O)CON=C(N)C[N@@H+]2CCCC[C@H]2C)c1	ZINC000177592276	785855284	/nfs/dbraw/zinc/85/52/84/785855284.db2.gz	HEZKGHPNNRVWGT-OAHLLOKOSA-N	1	0	362.474	1.817	20	30		FDEDRO
C=CCn1cc(C(=O)NCc2ccccc2CN2CC[NH+](CC)CC2)nn1	ZINC000648242591	786684570	/nfs/dbraw/zinc/68/45/70/786684570.db2.gz	LBDFNXRWRLLSGC-UHFFFAOYSA-N	1	0	368.485	1.532	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3oc(CC)nc3C)C[C@H]21	ZINC000978729684	805718589	/nfs/dbraw/zinc/71/85/89/805718589.db2.gz	KGTGSPSIPDBCLK-MTSZKFMLSA-N	1	0	359.470	1.931	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1	ZINC001025001969	787141634	/nfs/dbraw/zinc/14/16/34/787141634.db2.gz	WPJRHEPSGZDWDB-CLCXKQKWSA-N	1	0	351.491	1.151	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCOCC)C1	ZINC001104552330	787749660	/nfs/dbraw/zinc/74/96/60/787749660.db2.gz	DIJSRKTYJBXSBS-QZTJIDSGSA-N	1	0	365.518	1.407	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCCOC)C1	ZINC001104563032	787909794	/nfs/dbraw/zinc/90/97/94/787909794.db2.gz	HRVAMWYLGAUDDT-KZNAEPCWSA-N	1	0	367.534	1.816	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC000978871365	805835497	/nfs/dbraw/zinc/83/54/97/805835497.db2.gz	NQCKATFMUCKJMM-LFVTVUPYSA-N	1	0	354.454	1.028	20	30		FDEDRO
CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1	ZINC000376493528	788047753	/nfs/dbraw/zinc/04/77/53/788047753.db2.gz	AGJYKSKTMCOMEK-DFQSSKMNSA-N	1	0	357.454	1.773	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C(C)C)C[C@H]1C	ZINC001104577902	788360514	/nfs/dbraw/zinc/36/05/14/788360514.db2.gz	AWFDLFDLEVEVNF-KURKYZTESA-N	1	0	365.518	1.663	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1C	ZINC001104578052	788368173	/nfs/dbraw/zinc/36/81/73/788368173.db2.gz	HETXYLOSBRYMIJ-QLFBSQMISA-N	1	0	369.456	1.634	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1	ZINC000973331008	788594155	/nfs/dbraw/zinc/59/41/55/788594155.db2.gz	YHWPOKYDWNWQRZ-VQHPVUNQSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000973330574	788650508	/nfs/dbraw/zinc/65/05/08/788650508.db2.gz	PCAWZGQYVFYRLO-KLICCBINSA-N	1	0	371.481	1.969	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3ccco3)C2)CC1	ZINC000973366123	788781857	/nfs/dbraw/zinc/78/18/57/788781857.db2.gz	YYGDYUNXCDLLEI-BRSBDYLESA-N	1	0	369.465	1.492	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NCCCOC)C1	ZINC001104607502	788847304	/nfs/dbraw/zinc/84/73/04/788847304.db2.gz	XHJSKODKEAUHJU-FGTMMUONSA-N	1	0	367.534	1.958	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)CC(F)(F)F)C[C@H]1C	ZINC001104619722	788921812	/nfs/dbraw/zinc/92/18/12/788921812.db2.gz	MIHFDDLXDUOGGH-BFHYXJOUSA-N	1	0	361.408	1.399	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1	ZINC000973414068	788936536	/nfs/dbraw/zinc/93/65/36/788936536.db2.gz	IBKPVVWPMUBNQV-VQHPVUNQSA-N	1	0	361.486	1.217	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCCOC)C1	ZINC001104631338	789058026	/nfs/dbraw/zinc/05/80/26/789058026.db2.gz	JQIOUCSTPFRQQJ-HLIPFELVSA-N	1	0	367.534	1.816	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCOCC)C1	ZINC001104631424	789059201	/nfs/dbraw/zinc/05/92/01/789059201.db2.gz	MZHNMVCHWXVTOM-MBOZVWFJSA-N	1	0	367.534	1.816	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2CCC(F)CC2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104632525	789060335	/nfs/dbraw/zinc/06/03/35/789060335.db2.gz	HWTOHPWXSVYTQZ-YHNBSYBMSA-N	1	0	352.454	1.229	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CC2=CCOCC2)C[C@H]1C	ZINC001104634971	789068984	/nfs/dbraw/zinc/06/89/84/789068984.db2.gz	PDMCKGJDIDKKCC-JFIYKMOQSA-N	1	0	363.502	1.488	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1CC[NH2+]CC#Cc1ccccc1	ZINC001104643435	789099507	/nfs/dbraw/zinc/09/95/07/789099507.db2.gz	PVTKRTZYRDICJJ-JUXOCIIHSA-N	1	0	367.493	1.781	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC(N)=O)C2)CCC1	ZINC001104639489	789111114	/nfs/dbraw/zinc/11/11/14/789111114.db2.gz	PYUUZAUEFWQALI-QLFBSQMISA-N	1	0	364.490	1.390	20	30		FDEDRO
C#CCNC(=O)c1ccc(N2CCC(CC[NH+]3CCOCC3)CC2)nc1	ZINC000376603448	789143248	/nfs/dbraw/zinc/14/32/48/789143248.db2.gz	ANNULUJPZKWIAZ-UHFFFAOYSA-N	1	0	356.470	1.383	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCCOC)C2)C1	ZINC001104653408	789177455	/nfs/dbraw/zinc/17/74/55/789177455.db2.gz	WGYDSPMEOJJSDL-IAGOWNOFSA-N	1	0	365.518	1.570	20	30		FDEDRO
C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C	ZINC001104673498	789272182	/nfs/dbraw/zinc/27/21/82/789272182.db2.gz	ZDXFFICWYHZGSF-ZJPYXAASSA-N	1	0	365.518	1.840	20	30		FDEDRO
CCc1c(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C2)nnn1CC	ZINC001104669474	789277155	/nfs/dbraw/zinc/27/71/55/789277155.db2.gz	GOCUUSCYDFODCC-HZPDHXFCSA-N	1	0	361.490	1.198	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)Cc2cn(C)nc2Cl)C[C@H]1C	ZINC001104674137	789291354	/nfs/dbraw/zinc/29/13/54/789291354.db2.gz	JJCMTAJCOVXZLV-HUUCEWRRSA-N	1	0	366.893	1.340	20	30		FDEDRO
CC(C)c1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)nc1	ZINC001104676657	789317480	/nfs/dbraw/zinc/31/74/80/789317480.db2.gz	SPZITCUPTRPFBC-NVXWUHKLSA-N	1	0	371.485	1.533	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2C)C[C@H]1c1ccccc1	ZINC001211647274	789357979	/nfs/dbraw/zinc/35/79/79/789357979.db2.gz	XGWSQEVWTWSRPN-GBESFXJTSA-N	1	0	353.466	1.605	20	30		FDEDRO
N#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(F)s2)C1	ZINC001112019777	789451643	/nfs/dbraw/zinc/45/16/43/789451643.db2.gz	PJUWLFPAEHJONM-ZBEGNZNMSA-N	1	0	350.419	1.111	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCCC2=O)C1	ZINC001104699610	789519774	/nfs/dbraw/zinc/51/97/74/789519774.db2.gz	AWPHQAKMXVAGEJ-TVFCKZIOSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C(C)C)CC3)C2)C1	ZINC001025439219	789584989	/nfs/dbraw/zinc/58/49/89/789584989.db2.gz	ZDOQTWLGVVPZHC-IAGOWNOFSA-N	1	0	363.502	1.151	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c(C)c(C)sc3=O)[C@H]2C1	ZINC001083283438	791200181	/nfs/dbraw/zinc/20/01/81/791200181.db2.gz	BERXWINZZUDOIM-LSDHHAIUSA-N	1	0	351.472	1.014	20	30		FDEDRO
COC(=O)C1(C#N)CCN(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CC1	ZINC000892791254	791238236	/nfs/dbraw/zinc/23/82/36/791238236.db2.gz	DCIWQEAYDMTQFN-MRXNPFEDSA-N	1	0	356.426	1.189	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccnc(N(C)C)c2)C[C@H]1C	ZINC001104744992	791257761	/nfs/dbraw/zinc/25/77/61/791257761.db2.gz	BIRMXNRVJAFBBK-SJLPKXTDSA-N	1	0	358.486	1.485	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CCNC(=O)NCc2nc(C#N)cs2)cc1	ZINC000892809175	791289819	/nfs/dbraw/zinc/28/98/19/791289819.db2.gz	JPRSQWKFBSPJFA-UHFFFAOYSA-N	1	0	373.482	1.997	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1	ZINC000365552788	791502888	/nfs/dbraw/zinc/50/28/88/791502888.db2.gz	ZOLNHPLDMANHSA-BQFCYCMXSA-N	1	0	352.438	1.748	20	30		FDEDRO
CC[NH2+]Cc1cccc(NC(=O)C(=O)NCCc2cccc(C#N)c2)c1	ZINC000415203914	791651798	/nfs/dbraw/zinc/65/17/98/791651798.db2.gz	UQBYLUXMDVVIIV-UHFFFAOYSA-N	1	0	350.422	1.965	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCS(=O)(=O)C2)C[C@H]1C	ZINC001104746544	791729780	/nfs/dbraw/zinc/72/97/80/791729780.db2.gz	NRGCSSYCEOZTMN-ZACQAIPSSA-N	1	0	356.532	1.852	20	30		FDEDRO
O=C(C(F)F)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO[C@H]2CC2(F)F)C1	ZINC001112029017	791794550	/nfs/dbraw/zinc/79/45/50/791794550.db2.gz	MYSBTLAJYDWCFK-PRJMDXOYSA-N	1	0	352.250	1.655	20	30		FDEDRO
C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1	ZINC000415293862	791853800	/nfs/dbraw/zinc/85/38/00/791853800.db2.gz	DXGSLJPLSYSKDF-CQSZACIVSA-N	1	0	365.393	1.504	20	30		FDEDRO
CN1CC[NH+](CCC2CCN(C(=O)COc3ccccc3C#N)CC2)CC1	ZINC000377501063	792006114	/nfs/dbraw/zinc/00/61/14/792006114.db2.gz	VNVZAOJEJJJOEZ-UHFFFAOYSA-N	1	0	370.497	1.813	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)ccc1OCC(F)(F)F	ZINC000415357459	792042945	/nfs/dbraw/zinc/04/29/45/792042945.db2.gz	RXJBAPYDBWVRTK-SNVBAGLBSA-N	1	0	370.331	1.245	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO[C@H]3CC3(F)F)C[C@H]21	ZINC001025791266	792043655	/nfs/dbraw/zinc/04/36/55/792043655.db2.gz	HJUDZAIVDYTACL-LGFJLYTPSA-N	1	0	356.413	1.438	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1	ZINC000415445141	792280249	/nfs/dbraw/zinc/28/02/49/792280249.db2.gz	OVJZADLGYKELEO-GJZGRUSLSA-N	1	0	358.442	1.893	20	30		FDEDRO
CCC([NH3+])(CC)CNC(=O)C(=O)Nc1cc(C#N)ccc1OCCOC	ZINC000415475247	792330387	/nfs/dbraw/zinc/33/03/87/792330387.db2.gz	ONGAWORDIZIMRH-UHFFFAOYSA-N	1	0	362.430	1.156	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)N[C@@H](C[NH3+])C2CC2)c(C#N)cn1CCOC	ZINC000415487976	792358895	/nfs/dbraw/zinc/35/88/95/792358895.db2.gz	LHMCEESTPNKBRX-ZDUSSCGKSA-N	1	0	363.418	1.042	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000377638692	792389339	/nfs/dbraw/zinc/38/93/39/792389339.db2.gz	DQHPZEDEJXJCPQ-APWZRJJASA-N	1	0	370.497	1.952	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cccc(F)c3)CC2)CC1	ZINC000636676678	806153052	/nfs/dbraw/zinc/15/30/52/806153052.db2.gz	JMKOCOBZWLANSY-UHFFFAOYSA-N	1	0	374.460	1.241	20	30		FDEDRO
C=C(C)C[C@H](NC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)C(=O)OCC	ZINC000893548273	806161541	/nfs/dbraw/zinc/16/15/41/806161541.db2.gz	PWYGOEPLXQCBKC-ULQDDVLXSA-N	1	0	362.474	1.470	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1	ZINC000415580632	792596310	/nfs/dbraw/zinc/59/63/10/792596310.db2.gz	MDBDWVOJIUVDAJ-IBGZPJMESA-N	1	0	358.442	1.790	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC[NH2+]1	ZINC000415671996	792783439	/nfs/dbraw/zinc/78/34/39/792783439.db2.gz	JSQABRNRZRQFLJ-SKDRFNHKSA-N	1	0	370.331	1.652	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1	ZINC000415684833	792797220	/nfs/dbraw/zinc/79/72/20/792797220.db2.gz	XXQVCOXSXCPIGW-AWEZNQCLSA-N	1	0	374.441	1.109	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1c1ccccc1	ZINC001211650674	792865446	/nfs/dbraw/zinc/86/54/46/792865446.db2.gz	SHFVLRDLKGZPAL-HYVNUMGLSA-N	1	0	354.458	1.763	20	30		FDEDRO
N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)c1	ZINC000415764218	792943389	/nfs/dbraw/zinc/94/33/89/792943389.db2.gz	SGHQKWSFCQSHNW-PIIMJCKOSA-N	1	0	362.389	1.623	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1C#N	ZINC000415772365	792957252	/nfs/dbraw/zinc/95/72/52/792957252.db2.gz	TVGDIOUWBLAJBF-XJKSGUPXSA-N	1	0	356.426	1.494	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3COc4ccccc4O3)C[C@H]21	ZINC001026057065	793035909	/nfs/dbraw/zinc/03/59/09/793035909.db2.gz	XEJSIAOMFHWZMX-PEUATVKMSA-N	1	0	370.449	1.464	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c1	ZINC000415815977	793054378	/nfs/dbraw/zinc/05/43/78/793054378.db2.gz	SUBOYOKPJJJXKW-NWDGAFQWSA-N	1	0	366.368	1.732	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C[C@H]1[NH3+]	ZINC000415832994	793086790	/nfs/dbraw/zinc/08/67/90/793086790.db2.gz	HJDPMMXBFFGBAF-JOYOIKCWSA-N	1	0	370.331	1.243	20	30		FDEDRO
C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cc(C)oc2C)C[C@H]1C(F)(F)F	ZINC001112043562	793208871	/nfs/dbraw/zinc/20/88/71/793208871.db2.gz	CSIPRMJLUPSIGP-ZIAGYGMSSA-N	1	0	371.359	1.238	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)c1	ZINC000415902365	793329982	/nfs/dbraw/zinc/32/99/82/793329982.db2.gz	YCCJIEKNIIEXMX-VXGBXAGGSA-N	1	0	364.352	1.166	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1	ZINC000415899053	793343366	/nfs/dbraw/zinc/34/33/66/793343366.db2.gz	ULYLUKOIZXYPSX-GJZGRUSLSA-N	1	0	356.426	1.352	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)cc1	ZINC000415902422	793352292	/nfs/dbraw/zinc/35/22/92/793352292.db2.gz	YHYJSLOPUMTGHS-KGLIPLIRSA-N	1	0	371.441	1.001	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCCOC)C1	ZINC001104757636	793482042	/nfs/dbraw/zinc/48/20/42/793482042.db2.gz	GAIPCQZKKWIJDP-BHIYHBOVSA-N	1	0	367.534	1.958	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C)C2)C[C@H]1C	ZINC001104760845	793530060	/nfs/dbraw/zinc/53/00/60/793530060.db2.gz	GYSWMTPJJRUUSU-KZNAEPCWSA-N	1	0	365.518	1.522	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)C(=O)NCc2ccc(F)cc2)C[C@H]1C	ZINC001104767802	793550374	/nfs/dbraw/zinc/55/03/74/793550374.db2.gz	DFAKKOMOBBSDRH-NVXWUHKLSA-N	1	0	359.445	1.539	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCOC3CCC3)C2)nn1	ZINC001104769087	793553726	/nfs/dbraw/zinc/55/37/26/793553726.db2.gz	CCOXWSFEPSWYLL-HZPDHXFCSA-N	1	0	361.490	1.721	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cnsn2)C[C@H]1C(F)(F)F	ZINC001112053181	793874427	/nfs/dbraw/zinc/87/44/27/793874427.db2.gz	XRPYZFWMULHWNK-MWLCHTKSSA-N	1	0	350.366	1.333	20	30		FDEDRO
N#CCSCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cccnc2)C1	ZINC001112053113	793876145	/nfs/dbraw/zinc/87/61/45/793876145.db2.gz	SEWPWEQXSOHWFB-CHWSQXEVSA-N	1	0	358.389	1.817	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2nccs2)C[C@H]1C	ZINC001104831480	793960106	/nfs/dbraw/zinc/96/01/06/793960106.db2.gz	ZVGDDOLCQVYNPK-MGPQQGTHSA-N	1	0	350.488	1.522	20	30		FDEDRO
C=C(Br)C[NH2+]CC[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1C	ZINC001104836128	793985064	/nfs/dbraw/zinc/98/50/64/793985064.db2.gz	WDNILCCEOGJSLS-DGCLKSJQSA-N	1	0	355.280	1.935	20	30		FDEDRO
COc1ccc(N2CC[NH+](CCCNC(=O)NC[C@@H](C)C#N)CC2)cc1	ZINC000182376312	794093782	/nfs/dbraw/zinc/09/37/82/794093782.db2.gz	AULROBGMEBPWSY-INIZCTEOSA-N	1	0	359.474	1.666	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)COCc2nc(CC)no2)C[C@H]1C	ZINC001104888935	794227965	/nfs/dbraw/zinc/22/79/65/794227965.db2.gz	YURPWWZXWGUXKC-HUUCEWRRSA-N	1	0	350.463	1.799	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cc3c([nH]c2=O)CCOC3)C[C@H]1C	ZINC001104896301	794269245	/nfs/dbraw/zinc/26/92/45/794269245.db2.gz	SOCFNLSNEACNIE-HUUCEWRRSA-N	1	0	357.454	1.571	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1C	ZINC001104897005	794280978	/nfs/dbraw/zinc/28/09/78/794280978.db2.gz	ZNYBVUOIGZRTFJ-ZIAGYGMSSA-N	1	0	355.429	1.245	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2c3c(nn2C)CCC3)C[C@H]1C	ZINC001104901793	794308164	/nfs/dbraw/zinc/30/81/64/794308164.db2.gz	SFVCGINEGJGXBI-HZPDHXFCSA-N	1	0	358.486	1.246	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CCCC(=O)N(C)C)C[C@H]1C	ZINC001104918526	794386000	/nfs/dbraw/zinc/38/60/00/794386000.db2.gz	CMFQXBFZNKMFOL-IAGOWNOFSA-N	1	0	353.507	1.522	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1	ZINC000236681093	794388251	/nfs/dbraw/zinc/38/82/51/794388251.db2.gz	WPCGXPONDSXTMW-LPHOPBHVSA-N	1	0	371.481	1.972	20	30		FDEDRO
Cc1nsc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1C#N	ZINC001058810350	806326417	/nfs/dbraw/zinc/32/64/17/806326417.db2.gz	VAGKEYGMLFHRNF-APIJFGDWSA-N	1	0	359.499	1.843	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CCCC(=O)NC(C)C)C[C@H]1C	ZINC001104921536	794403539	/nfs/dbraw/zinc/40/35/39/794403539.db2.gz	HBGDQJOPIRIVNA-QZTJIDSGSA-N	1	0	367.534	1.958	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(C)C)C2)cn1	ZINC001104927290	794427810	/nfs/dbraw/zinc/42/78/10/794427810.db2.gz	AZZLGBINUDCGEE-NVXWUHKLSA-N	1	0	356.470	1.275	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NCC=C)C2)cn1	ZINC001104927815	794436761	/nfs/dbraw/zinc/43/67/61/794436761.db2.gz	WBAOCHHBJVSRJR-SOLBZPMBSA-N	1	0	368.481	1.441	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2)C[C@H]1C	ZINC001104928830	794440564	/nfs/dbraw/zinc/44/05/64/794440564.db2.gz	LUQJNFBEKDUNCO-RSPOEFSDSA-N	1	0	367.493	1.614	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cc(Cl)no2)C[C@H]1C	ZINC001104936440	794470533	/nfs/dbraw/zinc/47/05/33/794470533.db2.gz	USRANNGYUCQKEG-JHJVBQTASA-N	1	0	368.865	1.707	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2C)C[C@H]1C	ZINC001104964421	794600682	/nfs/dbraw/zinc/60/06/82/794600682.db2.gz	JFKGKWWFVXWDLS-BRWVUGGUSA-N	1	0	351.491	1.274	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2n[nH]c3ccccc32)C[C@H]1C	ZINC001104971779	794663683	/nfs/dbraw/zinc/66/36/83/794663683.db2.gz	YWFTXVOAZNMNFB-HUUCEWRRSA-N	1	0	367.453	1.000	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)C[C@H]1C	ZINC001104978236	794714851	/nfs/dbraw/zinc/71/48/51/794714851.db2.gz	UFILDLCXARQABM-HUUCEWRRSA-N	1	0	364.490	1.357	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)CN2CCCCCC2=O)C[C@H]1C	ZINC001104989264	794737678	/nfs/dbraw/zinc/73/76/78/794737678.db2.gz	RXRFFEWMJZKCEP-QZTJIDSGSA-N	1	0	363.502	1.113	20	30		FDEDRO
Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104994279	794764996	/nfs/dbraw/zinc/76/49/96/794764996.db2.gz	LXPJFCWBYUSGNG-SJLPKXTDSA-N	1	0	356.470	1.252	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)Cc2nc3ncccn3n2)C[C@H]1C	ZINC001105007658	794889810	/nfs/dbraw/zinc/88/98/10/794889810.db2.gz	DBYQZQRVOPHVFN-HZPDHXFCSA-N	1	0	356.474	1.707	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cncnc2C(C)C)C[C@H]1C	ZINC001105021368	794948402	/nfs/dbraw/zinc/94/84/02/794948402.db2.gz	RPIAMNTUFDVYOR-HZPDHXFCSA-N	1	0	371.485	1.037	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)CN1CCC(OCC[NH+]2CCCC2)CC1	ZINC000467207813	795025651	/nfs/dbraw/zinc/02/56/51/795025651.db2.gz	PZVLXFRPCKTPQW-UHFFFAOYSA-N	1	0	361.490	1.219	20	30		FDEDRO
COC[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C	ZINC001105045036	795052776	/nfs/dbraw/zinc/05/27/76/795052776.db2.gz	KNNRNPCEFBAMPC-MISYRCLQSA-N	1	0	358.482	1.510	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)C[C@H]1C	ZINC001105053314	795071815	/nfs/dbraw/zinc/07/18/15/795071815.db2.gz	GSWAPYATCJREPD-TZMCWYRMSA-N	1	0	365.927	1.095	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)C[C@H]1C	ZINC001105053603	795072817	/nfs/dbraw/zinc/07/28/17/795072817.db2.gz	USAGBPZSYVRZHA-HZPDHXFCSA-N	1	0	359.536	1.308	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3nncn3C2)C[C@H]1C	ZINC001105053913	795073602	/nfs/dbraw/zinc/07/36/02/795073602.db2.gz	DNQVAGCIRAWOGK-BPLDGKMQSA-N	1	0	351.882	1.667	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)COc2cccc(C(N)=O)c2)C[C@H]1C	ZINC001105058979	795091802	/nfs/dbraw/zinc/09/18/02/795091802.db2.gz	IDEYHFBSCVQECJ-NVXWUHKLSA-N	1	0	359.470	1.815	20	30		FDEDRO
Cc1c([C@H]2OCC[C@@H]2[NH2+]C[C@H](O)COc2ccc(C#N)cc2)cnn1C	ZINC000431939786	795162336	/nfs/dbraw/zinc/16/23/36/795162336.db2.gz	TYCXZOCOENKGGO-ZYSHUDEJSA-N	1	0	356.426	1.460	20	30		FDEDRO
C=CCn1c(-c2ncccn2)nnc1N1CC[N@H+](CCOC)[C@@H](CCC)C1	ZINC000417457016	795224240	/nfs/dbraw/zinc/22/42/40/795224240.db2.gz	HIXPDSSRTXOHRY-INIZCTEOSA-N	1	0	371.489	1.858	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NCCCC)C1	ZINC001105090049	795233057	/nfs/dbraw/zinc/23/30/57/795233057.db2.gz	GWDZVNOAZQWBTR-KZNAEPCWSA-N	1	0	367.534	1.958	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1	ZINC000930866982	795271665	/nfs/dbraw/zinc/27/16/65/795271665.db2.gz	NJMBVCUTLURJAL-MRXNPFEDSA-N	1	0	357.458	1.811	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cc(OC)no2)C[C@H]1C(F)(F)F	ZINC001112084634	795437303	/nfs/dbraw/zinc/43/73/03/795437303.db2.gz	JFWJUZIUIKJWEO-GHMZBOCLSA-N	1	0	363.336	1.478	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCC([NH2+]Cc2cn(CC)nn2)CC1	ZINC001026496113	795456300	/nfs/dbraw/zinc/45/63/00/795456300.db2.gz	LMNGWFDNFSCRDV-UQVLAFNGSA-N	1	0	361.490	1.796	20	30		FDEDRO
N#Cc1cccnc1OC1CCC(NC(=O)N[C@@H](CC[NH3+])C(F)F)CC1	ZINC000418049032	795492082	/nfs/dbraw/zinc/49/20/82/795492082.db2.gz	MITAHFRGKQCJRX-RUXDESIVSA-N	1	0	367.400	1.925	20	30		FDEDRO
CCCCCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1	ZINC001105235432	795518470	/nfs/dbraw/zinc/51/84/70/795518470.db2.gz	FKUZYEXFLFYTKX-HZPDHXFCSA-N	1	0	364.450	1.387	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+]C1CCC(NC(=O)[C@H]2C[C@H]2C(N)=O)CC1	ZINC001026561525	795547767	/nfs/dbraw/zinc/54/77/67/795547767.db2.gz	HKEVWTPVJHWJTK-BACDZXNISA-N	1	0	358.417	1.336	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CCC([NH2+]Cc2cnnn2C)CC1	ZINC001026574251	795578140	/nfs/dbraw/zinc/57/81/40/795578140.db2.gz	OMXJMXTYGHJADI-RLNQZENFSA-N	1	0	361.490	1.703	20	30		FDEDRO
C=CCOc1ccc(CNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1	ZINC000418159818	795590241	/nfs/dbraw/zinc/59/02/41/795590241.db2.gz	CPYAGOCGNOMZGC-QGZVFWFLSA-N	1	0	374.485	1.781	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCOCC)C1	ZINC001112092549	795705618	/nfs/dbraw/zinc/70/56/18/795705618.db2.gz	DRMMWBFGDQEWKP-NFAWXSAZSA-N	1	0	352.397	1.719	20	30		FDEDRO
Cc1cc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)ccn1	ZINC000500303564	795817499	/nfs/dbraw/zinc/81/74/99/795817499.db2.gz	OCPCVCYWJVQYSO-INIZCTEOSA-N	1	0	363.377	1.527	20	30		FDEDRO
N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)N[C@H](C[NH3+])C2CC2)CC1	ZINC000418397381	795864708	/nfs/dbraw/zinc/86/47/08/795864708.db2.gz	JBZOIHYVLCOCDD-CYBMUJFWSA-N	1	0	370.413	1.375	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]([NH3+])c1ccccc1	ZINC000418423156	795901479	/nfs/dbraw/zinc/90/14/79/795901479.db2.gz	FIVPKJXKOKPSAE-ZBFHGGJFSA-N	1	0	365.441	1.268	20	30		FDEDRO
CC1(CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC[NH2+]CC1	ZINC000418518183	796071874	/nfs/dbraw/zinc/07/18/74/796071874.db2.gz	MENYLEJVOIGLAH-UHFFFAOYSA-N	1	0	359.449	1.919	20	30		FDEDRO
C=CCC1(C(=O)N(CCO)CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCC1	ZINC001058732906	796114981	/nfs/dbraw/zinc/11/49/81/796114981.db2.gz	RCWUWCOTMAHPQR-DLBZAZTESA-N	1	0	365.518	1.400	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccccc2CNC(=[NH2+])NC[C@H]2CCCO2)CC1	ZINC000195522526	796224101	/nfs/dbraw/zinc/22/41/01/796224101.db2.gz	KFBDRJHBVPAPIL-LJQANCHMSA-N	1	0	359.518	1.407	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1	ZINC000979855681	806563992	/nfs/dbraw/zinc/56/39/92/806563992.db2.gz	GKHZSSPWHZJATL-RXYDEIHYSA-N	1	0	363.502	1.463	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1	ZINC001087428025	806677348	/nfs/dbraw/zinc/67/73/48/806677348.db2.gz	ISZGGMPNKVQAPO-VBSBHUPXSA-N	1	0	367.493	1.899	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2snnc2C)C1	ZINC001026850396	799992818	/nfs/dbraw/zinc/99/28/18/799992818.db2.gz	UQAAOJQIRKPJLH-KFWWJZLASA-N	1	0	350.488	1.766	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)C[NH+]4CCCC4)C[C@H]32)cc1	ZINC000974709172	800147095	/nfs/dbraw/zinc/14/70/95/800147095.db2.gz	YXKSTNKFUWCNNY-RTBURBONSA-N	1	0	351.450	1.437	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4CCCC[N@H+]4C)C[C@H]32)cc1	ZINC000974706001	800160568	/nfs/dbraw/zinc/16/05/68/800160568.db2.gz	MDQVILSRSDNQHZ-HSALFYBXSA-N	1	0	365.477	1.825	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C(C)(C)C1	ZINC000974733633	800201962	/nfs/dbraw/zinc/20/19/62/800201962.db2.gz	JFWAJGJUSNJQOQ-UPJWGTAASA-N	1	0	350.381	1.735	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)CCC[NH2+]1	ZINC000662512804	806812575	/nfs/dbraw/zinc/81/25/75/806812575.db2.gz	VKZUMAVKKZVCJK-KRWDZBQOSA-N	1	0	351.472	1.251	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)CCC[NH2+]1	ZINC000662520131	806820102	/nfs/dbraw/zinc/82/01/02/806820102.db2.gz	DOIQQBBENWABAS-NRFANRHFSA-N	1	0	371.481	1.701	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)s1	ZINC001026963331	800321883	/nfs/dbraw/zinc/32/18/83/800321883.db2.gz	JVDBWJVSLRWAQY-LTUQZUHASA-N	1	0	357.479	1.981	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCN(C(=O)c3c(F)cccc3F)CC2)CCC[NH2+]1	ZINC000662543261	806827759	/nfs/dbraw/zinc/82/77/59/806827759.db2.gz	UFKBEIKWIFCNPB-IBGZPJMESA-N	1	0	363.408	1.948	20	30		FDEDRO
C=CC[C@]1(C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)CCC[NH2+]1	ZINC000662550024	806843920	/nfs/dbraw/zinc/84/39/20/806843920.db2.gz	XVNORFOTWUUIIM-GOSISDBHSA-N	1	0	360.462	1.318	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001027066577	800701668	/nfs/dbraw/zinc/70/16/68/800701668.db2.gz	ULTRNFSKMYCDJH-KSZLIROESA-N	1	0	354.454	1.221	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnc(C(C)C)n2C)C1	ZINC001027075646	800889916	/nfs/dbraw/zinc/88/99/16/800889916.db2.gz	XGVOOLZEVZNMPV-XHSDSOJGSA-N	1	0	361.490	1.468	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nccn2C(F)F)C1	ZINC001027075644	800889971	/nfs/dbraw/zinc/88/99/71/800889971.db2.gz	XFYFTAWJZHAGHS-MJBXVCDLSA-N	1	0	354.401	1.807	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000975213677	801009407	/nfs/dbraw/zinc/00/94/07/801009407.db2.gz	LHDSSPQMCGQLCP-JKIFEVAISA-N	1	0	357.458	1.195	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)N2C[C@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@H]32)C1	ZINC000975219312	801017941	/nfs/dbraw/zinc/01/79/41/801017941.db2.gz	YHRULRQORXFEED-NVXWUHKLSA-N	1	0	369.469	1.291	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000975316316	801128853	/nfs/dbraw/zinc/12/88/53/801128853.db2.gz	ZYTPDLPXYIGDFI-LSTHTHJFSA-N	1	0	371.525	1.733	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)CC(C)C)C[C@@H]32)CC1	ZINC000975504066	801407248	/nfs/dbraw/zinc/40/72/48/801407248.db2.gz	FJRNKRLUIBDZQV-HKUYNNGSSA-N	1	0	359.514	1.827	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC2CCC(NC(=O)[C@@H]3C[C@H]3CC)CC2)CC1	ZINC000980279759	806922310	/nfs/dbraw/zinc/92/23/10/806922310.db2.gz	XPEVFLNLKRKTQH-JYPHPWERSA-N	1	0	359.514	1.921	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)C1	ZINC000975644749	801829621	/nfs/dbraw/zinc/82/96/21/801829621.db2.gz	HBTDQMVTYBWJLF-ZVZYQTTQSA-N	1	0	369.469	1.291	20	30		FDEDRO
CC[C@H](C(=O)N1CC[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]21)[NH+](C)C	ZINC000975668086	801894168	/nfs/dbraw/zinc/89/41/68/801894168.db2.gz	KVGJZJKUWXVONM-XKQJLSEDSA-N	1	0	357.458	1.290	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]21	ZINC000975662667	801917278	/nfs/dbraw/zinc/91/72/78/801917278.db2.gz	PBUJWAFFHIXHBI-XKQJLSEDSA-N	1	0	355.442	1.044	20	30		FDEDRO
C=CC[C@@]1(C(=O)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)CCC[NH2+]1	ZINC000662685835	806958561	/nfs/dbraw/zinc/95/85/61/806958561.db2.gz	YUOWNWNCHDWEPO-XLIONFOSSA-N	1	0	356.470	1.773	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)[C@H](C)C4CC4)[C@H]3C2)CC1	ZINC000975754442	802208295	/nfs/dbraw/zinc/20/82/95/802208295.db2.gz	JOUIXCCDSAZTOT-KPFFTGBYSA-N	1	0	371.525	1.827	20	30		FDEDRO
C[NH+](C)[C@H](C(=O)N1CC[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@H]2C1)C1CC1	ZINC000975758822	802283073	/nfs/dbraw/zinc/28/30/73/802283073.db2.gz	OLWUOZFLOLNFBJ-KKXDTOCCSA-N	1	0	369.469	1.290	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21	ZINC000975805298	802471983	/nfs/dbraw/zinc/47/19/83/802471983.db2.gz	UVRGELLMCFWNCS-KEYYUXOJSA-N	1	0	351.410	1.557	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]32)cn1	ZINC000975819748	802514171	/nfs/dbraw/zinc/51/41/71/802514171.db2.gz	BQZFEMJYKRLKRF-SNRMKQJTSA-N	1	0	368.481	1.466	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]3CCN(C(=O)C#CC4CC4)[C@H]3C2)C1	ZINC000975900965	802666137	/nfs/dbraw/zinc/66/61/37/802666137.db2.gz	QOFWHLIMOAMEJC-ZCNNSNEGSA-N	1	0	371.525	1.971	20	30		FDEDRO
C=CC[C@@]1(C(=O)NC[C@@H](c2cccs2)N2CCN(C)CC2)CCC[NH2+]1	ZINC000662754715	803063528	/nfs/dbraw/zinc/06/35/28/803063528.db2.gz	UOGBMNYIGOVILM-LPHOPBHVSA-N	1	0	362.543	1.851	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC000976465313	803397854	/nfs/dbraw/zinc/39/78/54/803397854.db2.gz	HZZOTOBABFTAKS-DTZQCDIJSA-N	1	0	357.458	1.384	20	30		FDEDRO
CC1(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(=O)NCC#N)C2)CC=CC1	ZINC001211667018	803413231	/nfs/dbraw/zinc/41/32/31/803413231.db2.gz	RLQHHPBWKSSITD-ZWKOTPCHSA-N	1	0	366.465	1.567	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C(C)C	ZINC000976501707	803439096	/nfs/dbraw/zinc/43/90/96/803439096.db2.gz	FXXGXAWYOORFFP-ZMSHIADSSA-N	1	0	361.486	1.023	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21	ZINC000976593057	803585090	/nfs/dbraw/zinc/58/50/90/803585090.db2.gz	XYVBWNHRADFFCA-NRKLIOEPSA-N	1	0	361.486	1.025	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)C2)cn1	ZINC000976695942	803768378	/nfs/dbraw/zinc/76/83/78/803768378.db2.gz	JPQFOFPNADSVOR-KBAYOESNSA-N	1	0	354.454	1.172	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CCN2CCCC2=O)C1	ZINC001027416086	803807533	/nfs/dbraw/zinc/80/75/33/803807533.db2.gz	ZFRUCJHHXGUZNR-KSZLIROESA-N	1	0	363.502	1.513	20	30		FDEDRO
CC1(C)CN(C(=O)C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC[NH2+]1	ZINC000423155126	814976737	/nfs/dbraw/zinc/97/67/37/814976737.db2.gz	QDHYFIVCSQDURG-UHFFFAOYSA-N	1	0	370.453	1.138	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2cc[nH]c2)CC1	ZINC000976810535	803939397	/nfs/dbraw/zinc/93/93/97/803939397.db2.gz	VQCFWNOHZWGPQS-QZTJIDSGSA-N	1	0	356.470	1.517	20	30		FDEDRO
CC(C)[N@H+](C)CCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000503909769	814979159	/nfs/dbraw/zinc/97/91/59/814979159.db2.gz	HAMNRIFFZQVIRY-KRWDZBQOSA-N	1	0	357.458	1.693	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1	ZINC000423168109	814986278	/nfs/dbraw/zinc/98/62/78/814986278.db2.gz	GSVBRPAGCKXPSQ-AEFFLSMTSA-N	1	0	357.454	1.420	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2cccc(C#N)c2)C1	ZINC001027447280	804087848	/nfs/dbraw/zinc/08/78/48/804087848.db2.gz	GAAIVDMWHJICLV-SNRMKQJTSA-N	1	0	357.454	1.785	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1	ZINC000423206129	814991359	/nfs/dbraw/zinc/99/13/59/814991359.db2.gz	CGNPPCZKFLYSRY-HOCLYGCPSA-N	1	0	374.441	1.695	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C[C@H]2CC[N@@H+](C)C2)c1	ZINC000976987513	804242251	/nfs/dbraw/zinc/24/22/51/804242251.db2.gz	DIVRMIGMDOJQFG-BHIYHBOVSA-N	1	0	368.481	1.562	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3CCC)C[C@H]21	ZINC000977218279	804566050	/nfs/dbraw/zinc/56/60/50/804566050.db2.gz	XFBKOMFHPGBVQH-ZXXIGWHRSA-N	1	0	361.486	1.025	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@@H]1CCCN(C(=O)OCc2ccccc2)C1	ZINC000893506027	804825448	/nfs/dbraw/zinc/82/54/48/804825448.db2.gz	RKYMPNYTSMVULU-QGZVFWFLSA-N	1	0	366.483	1.978	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)C1CC[NH+](C)CC1	ZINC000977799050	804956601	/nfs/dbraw/zinc/95/66/01/804956601.db2.gz	SGKIFTHKAHYEJB-BZSNNMDCSA-N	1	0	363.502	1.369	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CCN2C(=O)[C@@H]2C[C@H]2CCC)CC1	ZINC000977855867	805004509	/nfs/dbraw/zinc/00/45/09/805004509.db2.gz	SOUKRRPADUPFLC-CEXWTWQISA-N	1	0	359.514	1.827	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1c1ccccc1	ZINC001211678349	805317478	/nfs/dbraw/zinc/31/74/78/805317478.db2.gz	RDKJKXWPUWONKY-RBUKOAKNSA-N	1	0	352.438	1.877	20	30		FDEDRO
COc1ccc([C@@H](CNC(=O)NCC(=O)NCC#N)[NH+]2CCCCC2)cc1	ZINC000511916765	805339050	/nfs/dbraw/zinc/33/90/50/805339050.db2.gz	POJFMSSIHMEIIK-QGZVFWFLSA-N	1	0	373.457	1.161	20	30		FDEDRO
Cc1c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cnn1CCC#N	ZINC000893607693	807041489	/nfs/dbraw/zinc/04/14/89/807041489.db2.gz	JLKYILKWBWIQEW-UHFFFAOYSA-N	1	0	366.469	1.787	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1	ZINC000423523737	815112912	/nfs/dbraw/zinc/11/29/12/815112912.db2.gz	IMIWTYNVMNDDFY-MANSERQUSA-N	1	0	366.465	1.495	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)N[C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1	ZINC000981179250	807657068	/nfs/dbraw/zinc/65/70/68/807657068.db2.gz	HMMDECWVSJPWIY-LSDHHAIUSA-N	1	0	371.485	1.633	20	30		FDEDRO
C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	ZINC001028042955	807677776	/nfs/dbraw/zinc/67/77/76/807677776.db2.gz	CFWFLGUSACVLNP-KURKYZTESA-N	1	0	351.491	1.023	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C2CC2)cc1	ZINC000423574041	815143070	/nfs/dbraw/zinc/14/30/70/815143070.db2.gz	SCNWTMXNPORLHS-WDSOQIARSA-N	1	0	366.465	1.635	20	30		FDEDRO
C=CCN(C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@H](C)COC	ZINC000663588260	807781921	/nfs/dbraw/zinc/78/19/21/807781921.db2.gz	IAQBEXWKXSAODU-MRXNPFEDSA-N	1	0	361.490	1.566	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@H]3CC3(F)F)C2)CC1	ZINC000981296460	807862759	/nfs/dbraw/zinc/86/27/59/807862759.db2.gz	IMMXIHZYKMYSJO-NUEKZKHPSA-N	1	0	367.440	1.388	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1	ZINC000981339843	807915826	/nfs/dbraw/zinc/91/58/26/807915826.db2.gz	IQEZQRVSAJNCPU-LESCRADOSA-N	1	0	371.485	1.774	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@H]3CC34CCC4)C2)CC1	ZINC000981350832	807941982	/nfs/dbraw/zinc/94/19/82/807941982.db2.gz	VMVVPMNSVPEJPJ-QXAKKESOSA-N	1	0	371.525	1.923	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3c[nH]cc3C)C2)CC1	ZINC000981544028	808114168	/nfs/dbraw/zinc/11/41/68/808114168.db2.gz	AUEZMOHRWCHLBZ-FUHWJXTLSA-N	1	0	370.497	1.683	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3cc(C)co3)C2)CC1	ZINC000981544243	808114932	/nfs/dbraw/zinc/11/49/32/808114932.db2.gz	GPAMXJBSRIPRBR-FUHWJXTLSA-N	1	0	371.481	1.948	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@@H](C)C3CC3)C2)CC1	ZINC000981544860	808116062	/nfs/dbraw/zinc/11/60/62/808116062.db2.gz	SFPATYVIIBDXHE-TXPKVOOTSA-N	1	0	359.514	1.779	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)c2ccnc(OCC[NH+](C)C)c2)n1	ZINC000279098052	808347850	/nfs/dbraw/zinc/34/78/50/808347850.db2.gz	JFAZLUCNAUVPNN-UHFFFAOYSA-N	1	0	355.442	1.514	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)cc1	ZINC000981785390	808492706	/nfs/dbraw/zinc/49/27/06/808492706.db2.gz	CESRBNFVVQWHOK-PKOBYXMFSA-N	1	0	365.477	1.778	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1	ZINC001028135565	808597754	/nfs/dbraw/zinc/59/77/54/808597754.db2.gz	UVWCBVXZOSCURK-OKZBNKHCSA-N	1	0	354.454	1.363	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)cn1	ZINC000981844718	808610988	/nfs/dbraw/zinc/61/09/88/808610988.db2.gz	XDUPYTQECLNFAP-BMGDILEWSA-N	1	0	354.454	1.172	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)NC)cc1	ZINC001028143139	808647619	/nfs/dbraw/zinc/64/76/19/808647619.db2.gz	ZGCSRLZICHMMPG-OTWHNJEPSA-N	1	0	371.481	1.718	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCN(C(C)=O)C2)C[C@H]1c1ccccc1	ZINC001211702910	808852374	/nfs/dbraw/zinc/85/23/74/808852374.db2.gz	KXNNJOYGYAILGU-TUNNFDKTSA-N	1	0	367.493	1.852	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCCN1CCCC1=O	ZINC001028195946	808978990	/nfs/dbraw/zinc/97/89/90/808978990.db2.gz	ZLCVSIRGELUHJL-AOIWGVFYSA-N	1	0	363.502	1.561	20	30		FDEDRO
COCC1(CNC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)CC[NH2+]CC1	ZINC000418639041	809095474	/nfs/dbraw/zinc/09/54/74/809095474.db2.gz	LWMHEWUPEWVLRO-GOSISDBHSA-N	1	0	372.469	1.657	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1	ZINC000418820265	809244635	/nfs/dbraw/zinc/24/46/35/809244635.db2.gz	FCIVJAHVWHPVIS-MHORFTMASA-N	1	0	363.502	1.465	20	30		FDEDRO
CC[NH+]=C(NCCNC(=O)c1ccccc1F)N1CC[C@]2(CCOC2)C1	ZINC000261659696	809301878	/nfs/dbraw/zinc/30/18/78/809301878.db2.gz	AOEJYFRZZDZBRI-IBGZPJMESA-N	1	0	362.449	1.633	20	30		FDEDRO
C[NH+]=C(NCC1CCC(C)CC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1	ZINC000261660517	809308168	/nfs/dbraw/zinc/30/81/68/809308168.db2.gz	AZORGNZKORURSJ-MHVYXZCWSA-N	1	0	363.506	1.698	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccnc2C(N)=O)C[C@H]1c1ccccc1	ZINC001211726174	809397285	/nfs/dbraw/zinc/39/72/85/809397285.db2.gz	OJZXCXTXNSRUER-ZWKOTPCHSA-N	1	0	362.433	1.402	20	30		FDEDRO
C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000419112320	809583779	/nfs/dbraw/zinc/58/37/79/809583779.db2.gz	JWNRPFBVLNHVMO-OCCSQVGLSA-N	1	0	367.371	1.369	20	30		FDEDRO
C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000419113262	809584542	/nfs/dbraw/zinc/58/45/42/809584542.db2.gz	LIRQSDJHSHZZBD-OAHLLOKOSA-N	1	0	367.371	1.384	20	30		FDEDRO
CN(C[C@@H](O)COc1ccccc1C(F)(F)F)C(=O)[C@H]([NH3+])CCCC#N	ZINC000424101061	815307669	/nfs/dbraw/zinc/30/76/69/815307669.db2.gz	MDSOWWPHEAFFNZ-TZMCWYRMSA-N	1	0	373.375	1.925	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1	ZINC000424106148	815311584	/nfs/dbraw/zinc/31/15/84/815311584.db2.gz	LQEDULZVAGMPMV-SJORKVTESA-N	1	0	358.442	1.233	20	30		FDEDRO
C=CCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000424138778	815315887	/nfs/dbraw/zinc/31/58/87/815315887.db2.gz	MWZYQBGMTOCKOZ-PBHICJAKSA-N	1	0	353.430	1.759	20	30		FDEDRO
C#CC[N@H+](C)CCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000893989535	809852058	/nfs/dbraw/zinc/85/20/58/809852058.db2.gz	YNYTVPGQAROYIB-UHFFFAOYSA-N	1	0	351.472	1.075	20	30		FDEDRO
Cn1cc(-c2nc([C@H]3CCCCCN3C(=O)[C@@H]([NH3+])CCCC#N)no2)cn1	ZINC000424184632	815320328	/nfs/dbraw/zinc/32/03/28/815320328.db2.gz	DJEUUDKIYAPHKF-LSDHHAIUSA-N	1	0	371.445	1.935	20	30		FDEDRO
Cn1cc(-c2nc([C@H]3CCCCCN3C(=O)[C@H]([NH3+])CCCC#N)no2)cn1	ZINC000424184631	815320436	/nfs/dbraw/zinc/32/04/36/815320436.db2.gz	DJEUUDKIYAPHKF-HUUCEWRRSA-N	1	0	371.445	1.935	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)NC(=O)C2CCC2)C[C@H]1c1ccccc1	ZINC001211738596	809933351	/nfs/dbraw/zinc/93/33/51/809933351.db2.gz	KMUOMLLHMHQYLG-FFZOFVMBSA-N	1	0	367.493	1.899	20	30		FDEDRO
C[C@@]1(C#N)CN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CCO1	ZINC000894109380	810075217	/nfs/dbraw/zinc/07/52/17/810075217.db2.gz	OSARENYOUDGRPH-PKOBYXMFSA-N	1	0	358.442	1.077	20	30		FDEDRO
C#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2c(C)nc[nH]c2=O)C1	ZINC001087457625	810204104	/nfs/dbraw/zinc/20/41/04/810204104.db2.gz	JWOPNLWXVDAEQO-IAGOWNOFSA-N	1	0	368.412	1.851	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C	ZINC000249167111	810229002	/nfs/dbraw/zinc/22/90/02/810229002.db2.gz	KJVSRVNYJLQDCQ-FMKPAKJESA-N	1	0	358.442	1.715	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)NC1CCN(C(C)=O)CC1	ZINC000261721975	810320250	/nfs/dbraw/zinc/32/02/50/810320250.db2.gz	KUMDRFQDYVASCK-RCCFBDPRSA-N	1	0	362.518	1.900	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C[C@@]2(C)C1	ZINC000982554422	810323496	/nfs/dbraw/zinc/32/34/96/810323496.db2.gz	XCNBJJPRMYRDMG-ACZWYYKOSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccnc(OC)n2)C1	ZINC001028549052	810616689	/nfs/dbraw/zinc/61/66/89/810616689.db2.gz	KZRWHSQWFSQSHM-UAGQMJEPSA-N	1	0	360.458	1.405	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CN2CCCC2=O)C1	ZINC001087462629	810818338	/nfs/dbraw/zinc/81/83/38/810818338.db2.gz	UCWCKSYILLSTHU-QZTJIDSGSA-N	1	0	359.445	1.908	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)nn1	ZINC000424759858	815432068	/nfs/dbraw/zinc/43/20/68/815432068.db2.gz	WOUDLSIEHOHPSF-MSOLQXFVSA-N	1	0	369.469	1.467	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCC2)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1	ZINC000261682600	811296815	/nfs/dbraw/zinc/29/68/15/811296815.db2.gz	DGDALERBGVBCIX-XJKSGUPXSA-N	1	0	372.448	1.901	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000261704506	811301526	/nfs/dbraw/zinc/30/15/26/811301526.db2.gz	JMHKJTWWAAXBQX-DVWBAYGPSA-N	1	0	368.525	1.802	20	30		FDEDRO
C[NH+]=C(NCCc1cn2ccccc2n1)N1CCO[C@@H](c2cnn(C)c2)C1	ZINC000261748906	811310521	/nfs/dbraw/zinc/31/05/21/811310521.db2.gz	LQVASOHYTUFCNV-QGZVFWFLSA-N	1	0	367.457	1.259	20	30		FDEDRO
C[NH+]=C(NCc1cccc(N(C)C)n1)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1	ZINC000261833438	811329279	/nfs/dbraw/zinc/32/92/79/811329279.db2.gz	VOLSBVBZJOWZMW-LSDHHAIUSA-N	1	0	360.506	1.460	20	30		FDEDRO
CNC(=O)CC1CCN(C(NC[C@H]2CCOc3ccccc32)=[NH+]C)CC1	ZINC000261834260	811329652	/nfs/dbraw/zinc/32/96/52/811329652.db2.gz	VXMKMKLWBZCTCK-MRXNPFEDSA-N	1	0	358.486	1.976	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N1CC[C@H](Oc2ccccn2)C1	ZINC000261940077	811348304	/nfs/dbraw/zinc/34/83/04/811348304.db2.gz	DIUVGKBLKJFWDU-HOTGVXAUSA-N	1	0	369.473	1.273	20	30		FDEDRO
[NH2+]=C(NCc1ccc2c(c1)OCCCO2)N1CCN(c2ncccn2)CC1	ZINC000261985469	811360901	/nfs/dbraw/zinc/36/09/01/811360901.db2.gz	JUCSIPKTEOHICC-UHFFFAOYSA-N	1	0	368.441	1.275	20	30		FDEDRO
Cc1cccc([C@H]2CCN(C(NCC(=O)N(C)C)=[NH+]C3CCOCC3)C2)c1	ZINC000262345621	811446831	/nfs/dbraw/zinc/44/68/31/811446831.db2.gz	XWMCJGGTGLZSIJ-SFHVURJKSA-N	1	0	372.513	1.997	20	30		FDEDRO
C[NH+]=C(NCc1cn2ccc(C)cc2n1)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000262452618	811471142	/nfs/dbraw/zinc/47/11/42/811471142.db2.gz	KCPRPQSDYLUDES-OAHLLOKOSA-N	1	0	351.458	1.941	20	30		FDEDRO
C[NH+]=C(NCCc1cn2ccccc2n1)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000262491649	811477777	/nfs/dbraw/zinc/47/77/77/811477777.db2.gz	VEQRDIMMBQEBTD-OAHLLOKOSA-N	1	0	351.458	1.675	20	30		FDEDRO
O=[N+]([O-])c1ccc(CNC(=[NH+]C[C@@H]2CCOC2)N2CCC(O)CC2)cc1	ZINC000262514101	811481023	/nfs/dbraw/zinc/48/10/23/811481023.db2.gz	CGYFJROKACRCGV-HNNXBMFYSA-N	1	0	362.430	1.534	20	30		FDEDRO
C[NH+](C)C(C)(C)CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O	ZINC000505322710	815482715	/nfs/dbraw/zinc/48/27/15/815482715.db2.gz	KLAGQOXGIZRLTN-OAHLLOKOSA-N	1	0	371.441	1.220	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](NC(=O)NCC[N@H+]3CC=CCC3)C2=O)cc1	ZINC000280740926	811916758	/nfs/dbraw/zinc/91/67/58/811916758.db2.gz	ZRHAQTHGQKYVNN-GOSISDBHSA-N	1	0	367.453	1.220	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC1	ZINC000419816947	812210395	/nfs/dbraw/zinc/21/03/95/812210395.db2.gz	LOCIJXQIWJTBSM-UHFFFAOYSA-N	1	0	358.442	1.884	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)N[C@H]1CCCC[NH2+]C1	ZINC000420002330	813392789	/nfs/dbraw/zinc/39/27/89/813392789.db2.gz	RCHYYAKLUZFJCD-RCCFBDPRSA-N	1	0	354.454	1.543	20	30		FDEDRO
C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000420102157	813457895	/nfs/dbraw/zinc/45/78/95/813457895.db2.gz	NJTSGGGSHAKVPR-KSSFIOAISA-N	1	0	370.453	1.042	20	30		FDEDRO
C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1	ZINC000420105507	813461137	/nfs/dbraw/zinc/46/11/37/813461137.db2.gz	SOEASCUUZBIPCY-KDOFPFPSSA-N	1	0	352.438	1.288	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C	ZINC000420151127	813511726	/nfs/dbraw/zinc/51/17/26/813511726.db2.gz	XYMDENOLMKGJAS-BBRMVZONSA-N	1	0	360.414	1.224	20	30		FDEDRO
C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	ZINC000420176451	813514386	/nfs/dbraw/zinc/51/43/86/813514386.db2.gz	ZTIOQDPDBTYUKQ-XOYOTBSWSA-N	1	0	354.454	1.541	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2)cc1	ZINC000420191204	813542180	/nfs/dbraw/zinc/54/21/80/813542180.db2.gz	HKLNLFUNWDNSJF-MAUKXSAKSA-N	1	0	352.438	1.418	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C2CC2)cc1	ZINC000420196603	813546752	/nfs/dbraw/zinc/54/67/52/813546752.db2.gz	AQSBQBCVMLIDPR-FGTMMUONSA-N	1	0	366.465	1.554	20	30		FDEDRO
C=CCn1c(C)cc(C(=O)CN2CCCC[C@@H]2CNC(=O)CC[NH3+])c1C	ZINC000420316417	813605357	/nfs/dbraw/zinc/60/53/57/813605357.db2.gz	SQNHKHSFCWGMHF-QGZVFWFLSA-N	1	0	360.502	1.793	20	30		FDEDRO
CC[NH+]1CCC(N2CCCN(CC(=O)N[C@](C)(C#N)C(C)C)CC2)CC1	ZINC000421013622	813905646	/nfs/dbraw/zinc/90/56/46/813905646.db2.gz	ROHSJVRGKDSUET-HXUWFJFHSA-N	1	0	363.550	1.533	20	30		FDEDRO
CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000421300172	814086857	/nfs/dbraw/zinc/08/68/57/814086857.db2.gz	ONQGKTSKGWKVOZ-MRXNPFEDSA-N	1	0	358.442	1.860	20	30		FDEDRO
CC(C)(CC#N)CNC(=O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1	ZINC000421410636	814144190	/nfs/dbraw/zinc/14/41/90/814144190.db2.gz	VOTCADNRUUUOFA-UHFFFAOYSA-N	1	0	356.470	1.955	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)NCCC[NH+]3CCCC3)C2=O)cc1	ZINC000502853690	814292714	/nfs/dbraw/zinc/29/27/14/814292714.db2.gz	WGSBJPLBGCJLPH-SFHVURJKSA-N	1	0	369.469	1.839	20	30		FDEDRO
CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NCCCC#N	ZINC000273114702	814788037	/nfs/dbraw/zinc/78/80/37/814788037.db2.gz	NMZUUIFLXCULEN-UHFFFAOYSA-N	1	0	373.457	1.196	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)cncc2C)C[C@H]1C(F)(F)F	ZINC001112130310	814800037	/nfs/dbraw/zinc/80/00/37/814800037.db2.gz	MEMGPROEOYNEJU-HUUCEWRRSA-N	1	0	369.387	1.941	20	30		FDEDRO
CC(C)(CC#N)CNC(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1	ZINC000422277728	814804639	/nfs/dbraw/zinc/80/46/39/814804639.db2.gz	LFFLNCDPJLKOHJ-GOSISDBHSA-N	1	0	370.497	1.723	20	30		FDEDRO
C=C(Br)CN1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC001028699270	814804960	/nfs/dbraw/zinc/80/49/60/814804960.db2.gz	WHYLLSLTELGXMZ-DEPYFDJDSA-N	1	0	355.276	1.757	20	30		FDEDRO
C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1	ZINC001075703774	815595901	/nfs/dbraw/zinc/59/59/01/815595901.db2.gz	PHBUHKWGPPVTBH-RVKKMQEKSA-N	1	0	369.469	1.434	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1	ZINC000505463314	815661754	/nfs/dbraw/zinc/66/17/54/815661754.db2.gz	AHKDELUZECPQPV-KXBFYZLASA-N	1	0	367.490	1.721	20	30		FDEDRO
CC#CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1	ZINC001087465716	815775689	/nfs/dbraw/zinc/77/56/89/815775689.db2.gz	FMGAPPKSTKLBDN-BHIYHBOVSA-N	1	0	371.456	1.649	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)N(CC)CC	ZINC001167956694	815809000	/nfs/dbraw/zinc/80/90/00/815809000.db2.gz	IOLMXXKXUTXZNC-IKGGRYGDSA-N	1	0	353.507	1.711	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C	ZINC000434884853	815829975	/nfs/dbraw/zinc/82/99/75/815829975.db2.gz	BHSOLVKXZMPWOJ-INIZCTEOSA-N	1	0	361.442	1.719	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)C2(c3cccc(C#N)c3)CC2)CC1	ZINC000434995271	815874621	/nfs/dbraw/zinc/87/46/21/815874621.db2.gz	GTARZSNGCNJZHU-UHFFFAOYSA-N	1	0	368.481	1.602	20	30		FDEDRO
Cc1cc(NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c(C#N)cn1	ZINC000425265485	815886944	/nfs/dbraw/zinc/88/69/44/815886944.db2.gz	FBRZJYTUIZGUDI-UHFFFAOYSA-N	1	0	363.465	1.993	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N[C@H](C)C(C)C	ZINC001167957621	815907549	/nfs/dbraw/zinc/90/75/49/815907549.db2.gz	ZKKBCGATDPBPSG-RYRKJORJSA-N	1	0	353.507	1.614	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(Cc2ccccc2)C[C@H](C)O)CC1	ZINC000514882484	816025352	/nfs/dbraw/zinc/02/53/52/816025352.db2.gz	UMNVSWCKNRWTSL-KRWDZBQOSA-N	1	0	373.497	1.553	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1	ZINC000425384290	816054018	/nfs/dbraw/zinc/05/40/18/816054018.db2.gz	LSKKPPZQEJTCSE-NVXWUHKLSA-N	1	0	356.470	1.878	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21	ZINC000425385797	816058033	/nfs/dbraw/zinc/05/80/33/816058033.db2.gz	LCDNOKQSHIPDDO-RBUKOAKNSA-N	1	0	355.482	1.796	20	30		FDEDRO
C=CCn1cc(CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)nn1	ZINC000425407616	816171137	/nfs/dbraw/zinc/17/11/37/816171137.db2.gz	RKYJARUPYJFGSU-UHFFFAOYSA-N	1	0	368.485	1.970	20	30		FDEDRO
C=CCn1c([C@@H]2CCCO2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000515462633	816275409	/nfs/dbraw/zinc/27/54/09/816275409.db2.gz	RNHKQVKXAAKIGV-IRXDYDNUSA-N	1	0	361.490	1.864	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCC[N@H+](C)CCO)CCCN1C(=O)OC(C)(C)C	ZINC000925001602	816293400	/nfs/dbraw/zinc/29/34/00/816293400.db2.gz	OSBSHEFCUOZOJA-SFHVURJKSA-N	1	0	355.479	1.373	20	30		FDEDRO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC000425446506	816298049	/nfs/dbraw/zinc/29/80/49/816298049.db2.gz	PDOGWELDGUROEG-YJBOKZPZSA-N	1	0	371.485	1.848	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(OC)nn2)C1	ZINC001028861876	816303866	/nfs/dbraw/zinc/30/38/66/816303866.db2.gz	FFSZZBBNCJMWBH-HFTRVMKXSA-N	1	0	360.458	1.405	20	30		FDEDRO
C=CCn1cc(CNC(=O)N2CCC(OCC[NH+](CC)CC)CC2)nn1	ZINC000425562372	816539187	/nfs/dbraw/zinc/53/91/87/816539187.db2.gz	FVQBQDHDMUHYDZ-UHFFFAOYSA-N	1	0	364.494	1.497	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1	ZINC001087466500	816633555	/nfs/dbraw/zinc/63/35/55/816633555.db2.gz	WBROTYHDGORYGC-IAGOWNOFSA-N	1	0	370.428	1.693	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(OC)c(OC)c2OC)c1C#N	ZINC000516151133	816662529	/nfs/dbraw/zinc/66/25/29/816662529.db2.gz	FJQYUQFWSBCNPI-UHFFFAOYSA-N	1	0	373.413	1.711	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCc1ccc(CC#N)cc1	ZINC000516281345	816732233	/nfs/dbraw/zinc/73/22/33/816732233.db2.gz	RSRCMIDUMSKSSY-GOSISDBHSA-N	1	0	371.485	1.495	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)CC[N@@H+]1CCc2ccccc2C1	ZINC000516633517	816938118	/nfs/dbraw/zinc/93/81/18/816938118.db2.gz	LNRRLWJHYVMBLH-UHFFFAOYSA-N	1	0	366.469	1.703	20	30		FDEDRO
CC[NH+]=C(NCCOc1ccc2c(c1)OCO2)N1CC[C@]2(CCOC2)C1	ZINC000261943110	817039621	/nfs/dbraw/zinc/03/96/21/817039621.db2.gz	DZGNTCMTAVUIEN-IBGZPJMESA-N	1	0	361.442	1.872	20	30		FDEDRO
N#Cc1cccnc1OC1CCC(NC(=O)NC[C@H]2CCC[NH2+]C2)CC1	ZINC000516857116	817063990	/nfs/dbraw/zinc/06/39/90/817063990.db2.gz	SFGNEEJCHPHAES-OOHWJJMZSA-N	1	0	357.458	1.942	20	30		FDEDRO
CCCN(CC[NH+](C)C)C(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000473581891	817162822	/nfs/dbraw/zinc/16/28/22/817162822.db2.gz	JKPMDVRDKFCXRL-GOSISDBHSA-N	1	0	356.470	1.849	20	30		FDEDRO
C=C[C@H]1CCCC[N@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1	ZINC000517005931	817171350	/nfs/dbraw/zinc/17/13/50/817171350.db2.gz	JMAZIQRTBBSOBI-HNNXBMFYSA-N	1	0	369.473	1.052	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccccc1C[NH+](CC)CC	ZINC000425872749	817265395	/nfs/dbraw/zinc/26/53/95/817265395.db2.gz	ZJTAHVCHUVDAKH-HKUYNNGSSA-N	1	0	373.497	1.852	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCCN(c3ncccn3)C2)cc1	ZINC000517210658	817322941	/nfs/dbraw/zinc/32/29/41/817322941.db2.gz	QFWGDZVUFHTRQN-MRXNPFEDSA-N	1	0	371.466	1.381	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]CCNC(=O)c2ccccc2Cl)cc1	ZINC000517358712	817399325	/nfs/dbraw/zinc/39/93/25/817399325.db2.gz	MGSDREGUYDVGNZ-OAHLLOKOSA-N	1	0	373.840	1.971	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000425964504	817510070	/nfs/dbraw/zinc/51/00/70/817510070.db2.gz	DRXXPQZBXBSXTH-OAQYLSRUSA-N	1	0	357.498	1.756	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1ccc2c(n1)CN(C(=O)OC(C)(C)C)CC2	ZINC000827971956	817567689	/nfs/dbraw/zinc/56/76/89/817567689.db2.gz	NBHPPJBXNYPOSP-UHFFFAOYSA-N	1	0	372.469	1.670	20	30		FDEDRO
CC#CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@]2(C)CCNC2=O)C1	ZINC001087467616	817886793	/nfs/dbraw/zinc/88/67/93/817886793.db2.gz	GKOCYRSLXYQCQC-DBXWQHBBSA-N	1	0	371.456	1.649	20	30		FDEDRO
C[NH+]=C(NCc1cc(OC)c(OC)c(OC)c1)N1CC[C@]2(CCOC2)C1	ZINC000261981380	817905254	/nfs/dbraw/zinc/90/52/54/817905254.db2.gz	OYAOWXBARHFBAK-IBGZPJMESA-N	1	0	363.458	1.900	20	30		FDEDRO
C[NH+](C)CCNS(=O)(=O)c1cccc(NCC#Cc2ccccc2)c1	ZINC000894383979	817992033	/nfs/dbraw/zinc/99/20/33/817992033.db2.gz	BNFITECYABAHQP-UHFFFAOYSA-N	1	0	357.479	1.990	20	30		FDEDRO
CC1(C)CC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC(=O)NCC#N)C1	ZINC001112148428	818340737	/nfs/dbraw/zinc/34/07/37/818340737.db2.gz	NSDPQADNRJHTSS-QJPTWQEYSA-N	1	0	360.380	1.041	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2cnon2)C1	ZINC001087476251	818371959	/nfs/dbraw/zinc/37/19/59/818371959.db2.gz	BKYFGBKDFLMCEV-WMZOPIPTSA-N	1	0	354.410	1.689	20	30		FDEDRO
C=CCOc1ccc(CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cc1	ZINC000894753366	818407553	/nfs/dbraw/zinc/40/75/53/818407553.db2.gz	HXIAOCCEUBLQCR-MOPGFXCFSA-N	1	0	359.470	1.992	20	30		FDEDRO
C#CCOc1ccc(NC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1	ZINC000108523027	818557844	/nfs/dbraw/zinc/55/78/44/818557844.db2.gz	RXEGEPYQLZJERG-GOSISDBHSA-N	1	0	372.469	1.763	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3C#N)C2)C1	ZINC000983692365	818565656	/nfs/dbraw/zinc/56/56/56/818565656.db2.gz	KPYIXVHJRAZGGP-DTTOXWODSA-N	1	0	354.454	1.457	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]CCNC(=O)NC(C)C	ZINC001167985991	818782463	/nfs/dbraw/zinc/78/24/63/818782463.db2.gz	RGWRXYPZIAYJGU-HOTGVXAUSA-N	1	0	354.495	1.161	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1	ZINC000983728333	818834301	/nfs/dbraw/zinc/83/43/01/818834301.db2.gz	MTYHJKQKFUTUBJ-JLSDUUJJSA-N	1	0	371.485	1.728	20	30		FDEDRO
C#CC[C@H](NC1CC[NH+](CCNC(=O)OC(C)(C)C)CC1)C(=O)OC	ZINC000894859736	818903153	/nfs/dbraw/zinc/90/31/53/818903153.db2.gz	WSGGYZWUZWNTAI-HNNXBMFYSA-N	1	0	353.463	1.130	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1	ZINC000937416606	818963405	/nfs/dbraw/zinc/96/34/05/818963405.db2.gz	DVHDOIQSQPCFFC-AYOQOUSVSA-N	1	0	368.481	1.514	20	30		FDEDRO
CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)C(=O)NC3(C#N)CCCCC3)[C@@H]2C1	ZINC000519848342	819096822	/nfs/dbraw/zinc/09/68/22/819096822.db2.gz	MUBJBBISGOKDTB-OWLYRPNTSA-N	1	0	360.502	1.954	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC[N@@H+]1C	ZINC000473890513	819145355	/nfs/dbraw/zinc/14/53/55/819145355.db2.gz	GOWIHHPONKAJKW-ZTFGCOKTSA-N	1	0	354.454	1.648	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@@H+](CCC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000729484123	819171234	/nfs/dbraw/zinc/17/12/34/819171234.db2.gz	POEDLDTXGDYVDU-CQSZACIVSA-N	1	0	368.478	1.720	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccc(C)n3C)[C@H]2CC)C1=O	ZINC001087501655	819490755	/nfs/dbraw/zinc/49/07/55/819490755.db2.gz	STAASYMRWZSGDI-LZLYRXPVSA-N	1	0	358.486	1.703	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000328598442	819529662	/nfs/dbraw/zinc/52/96/62/819529662.db2.gz	BDWGIAZNLABWFP-IKGGRYGDSA-N	1	0	364.490	1.120	20	30		FDEDRO
C[C@@H]1CCC[C@](CNC(=O)N2CCOC[C@@H]2c2ncnn2C)([NH+](C)C)C1	ZINC000328852998	819567057	/nfs/dbraw/zinc/56/70/57/819567057.db2.gz	BWIIQJWYCJTVMQ-RKVPGOIHSA-N	1	0	364.494	1.613	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](C)C(=O)N2CCCC[C@@H]2C)C1	ZINC000328975058	819602705	/nfs/dbraw/zinc/60/27/05/819602705.db2.gz	BFCFBUOTFNGWRR-GVDBMIGSSA-N	1	0	368.522	1.636	20	30		FDEDRO
CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1	ZINC000330437074	819613137	/nfs/dbraw/zinc/61/31/37/819613137.db2.gz	NQKSZKKTCYUMBU-SOLBZPMBSA-N	1	0	361.486	1.929	20	30		FDEDRO
CC(C)C(=O)N[C@@H]1CCCN(CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)C1	ZINC000330432235	819615243	/nfs/dbraw/zinc/61/52/43/819615243.db2.gz	WZUZLFAHBDZLDT-ARFHVFGLSA-N	1	0	366.506	1.832	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CCC(C)(O)CC2)CC1	ZINC000330978157	819659157	/nfs/dbraw/zinc/65/91/57/819659157.db2.gz	MWAAJPOTZUOFAP-UHFFFAOYSA-N	1	0	368.522	1.374	20	30		FDEDRO
CCNC(=O)N(C)c1cccc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1	ZINC000331211415	819671416	/nfs/dbraw/zinc/67/14/16/819671416.db2.gz	IZCMRFIGSLHOTE-INIZCTEOSA-N	1	0	363.462	1.865	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)[C@@H]2CC23CC3)CC1	ZINC000983850537	819784561	/nfs/dbraw/zinc/78/45/61/819784561.db2.gz	GBOYWUQFXFYYMC-NEWSRXKRSA-N	1	0	371.525	1.875	20	30		FDEDRO
C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cc(OC)ccc3OC)[C@@H]2C1	ZINC001075788798	819918992	/nfs/dbraw/zinc/91/89/92/819918992.db2.gz	QUHLSZVNUBACOQ-IAAVTCLWSA-N	1	0	354.450	1.973	20	30		FDEDRO
CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1)[NH+](C)C	ZINC000983883689	819923509	/nfs/dbraw/zinc/92/35/09/819923509.db2.gz	RVESOVQHFWHLHT-XOKHGSTOSA-N	1	0	359.474	1.583	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C(F)(F)F	ZINC001112156052	819929655	/nfs/dbraw/zinc/92/96/55/819929655.db2.gz	WOYSWEOMPIRDBH-VXGBXAGGSA-N	1	0	371.425	1.000	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2CN(Cc3ccc(C(F)F)cc3)C[C@@H]2O)[nH]1	ZINC001083414021	820137713	/nfs/dbraw/zinc/13/77/13/820137713.db2.gz	IDWDMGFDSVCXOE-CVEARBPZSA-N	1	0	360.364	1.799	20	30		FDEDRO
C=CCn1cc(CNC(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)nn1	ZINC000665182434	820546455	/nfs/dbraw/zinc/54/64/55/820546455.db2.gz	LKLQJDBGPIMUNF-GOSISDBHSA-N	1	0	370.457	1.030	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccc(C)nn3)[C@H]2CC)C1=O	ZINC001087569020	821534482	/nfs/dbraw/zinc/53/44/82/821534482.db2.gz	YDUIFXTWPZSNHV-USXIJHARSA-N	1	0	357.458	1.155	20	30		FDEDRO
CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCCN(O)C2=O)C[C@@H]1C(F)(F)F	ZINC000895192288	821606271	/nfs/dbraw/zinc/60/62/71/821606271.db2.gz	HJDFSCTWAJYWPI-WHOHXGKFSA-N	1	0	352.353	1.867	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3c[nH]nc3CC)[C@H]2CC)C1=O	ZINC001087637154	821866034	/nfs/dbraw/zinc/86/60/34/821866034.db2.gz	BHTWWEQDODDWSG-BBWFWOEESA-N	1	0	359.474	1.342	20	30		FDEDRO
C#CCC1(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)CCOCC1	ZINC000895234813	821995582	/nfs/dbraw/zinc/99/55/82/821995582.db2.gz	GPVIQJBGHNNTRC-MOPGFXCFSA-N	1	0	372.513	1.923	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2[nH]nnc2C)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001087682827	822017163	/nfs/dbraw/zinc/01/71/63/822017163.db2.gz	UOCJNXXGIQBIFS-DLBZAZTESA-N	1	0	368.441	1.798	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ncccc3C)[C@@H]2CC)nn1	ZINC001087754037	822368582	/nfs/dbraw/zinc/36/85/82/822368582.db2.gz	LRROCJPUUCKOGA-MAUKXSAKSA-N	1	0	354.458	1.950	20	30		FDEDRO
C=C(Cl)CN1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1CC	ZINC001087757262	822380977	/nfs/dbraw/zinc/38/09/77/822380977.db2.gz	KXBZMCGANKMLNT-JKSUJKDBSA-N	1	0	353.898	1.780	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cc2OC)C[C@H]1C(F)(F)F	ZINC001112167770	822447773	/nfs/dbraw/zinc/44/77/73/822447773.db2.gz	DLWRSOPDTCALJT-VXGBXAGGSA-N	1	0	357.332	1.412	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCn3nc(C)nc3C)[C@@H]2CC)nc1	ZINC001087800244	822459462	/nfs/dbraw/zinc/45/94/62/822459462.db2.gz	JOAGOGYKBDWILA-PKOBYXMFSA-N	1	0	366.469	1.554	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCN3CCCC3=O)[C@@H]2CC)cn1	ZINC001087801301	822460982	/nfs/dbraw/zinc/46/09/82/822460982.db2.gz	IIUWLZBIHNMZNL-ZWKOTPCHSA-N	1	0	354.454	1.268	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](CCn2cccn2)[C@@H]1CC	ZINC001087802475	822462206	/nfs/dbraw/zinc/46/22/06/822462206.db2.gz	SKGVGECHESDWNO-ZWKOTPCHSA-N	1	0	367.453	1.573	20	30		FDEDRO
CCc1cc(N2CCC[C@H]([NH2+][C@@H](C(N)=O)c3ccc(C#N)cc3)C2)ncn1	ZINC000522375524	822534989	/nfs/dbraw/zinc/53/49/89/822534989.db2.gz	ZSMYSYCTGWDGLL-PKOBYXMFSA-N	1	0	364.453	1.696	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3nocc3C)[C@@H]2CC)CC1	ZINC001087839975	822558839	/nfs/dbraw/zinc/55/88/39/822558839.db2.gz	BRONWQSOBTWDLK-PKOBYXMFSA-N	1	0	358.486	1.797	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087849293	822596824	/nfs/dbraw/zinc/59/68/24/822596824.db2.gz	QSIYLXUIRLAXDC-OTWHNJEPSA-N	1	0	368.481	1.550	20	30		FDEDRO
C#CCCOc1ccc(C[NH2+]C[C@]2(C(=O)OC)C[C@@H]2S(C)(=O)=O)cc1	ZINC000895509793	822632275	/nfs/dbraw/zinc/63/22/75/822632275.db2.gz	ZOZZVJNGLNAUAK-FUHWJXTLSA-N	1	0	365.451	1.155	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccccn4)C[C@@H]3C2)C1=O	ZINC001087864121	822636918	/nfs/dbraw/zinc/63/69/18/822636918.db2.gz	RNYGNANMMAXCBR-RYRKJORJSA-N	1	0	354.454	1.262	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC[C@H](O)[C@@H](F)C3)CC2)c1	ZINC000895594506	822667302	/nfs/dbraw/zinc/66/73/02/822667302.db2.gz	RAFMJNDODRLQGG-ROUUACIJSA-N	1	0	360.433	1.637	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cc(CC)n[nH]4)C[C@@H]3C2)C1=O	ZINC001087892355	822738325	/nfs/dbraw/zinc/73/83/25/822738325.db2.gz	XFDMNEXYMIIWDD-VKJFTORMSA-N	1	0	371.485	1.153	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCC(=O)N4)C[C@@H]3C2)s1	ZINC001087909887	823760237	/nfs/dbraw/zinc/76/02/37/823760237.db2.gz	BJKYAGBONDDHHB-DVOMOZLQSA-N	1	0	358.467	1.179	20	30		FDEDRO
Cc1noc(CCC[N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]3C2)n1	ZINC001087938648	824017509	/nfs/dbraw/zinc/01/75/09/824017509.db2.gz	FAWJHVAKSAMEQY-CABCVRRESA-N	1	0	368.441	1.605	20	30		FDEDRO
Cn1ncc(C(=O)N2C[C@@H]3C[N@@H+](CC#Cc4ccccc4)CC[C@@H]3C2)c1N	ZINC001087943000	824029922	/nfs/dbraw/zinc/02/99/22/824029922.db2.gz	CZOJXYFHQZESKZ-MSOLQXFVSA-N	1	0	363.465	1.448	20	30		FDEDRO
Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]3C2)ncn1	ZINC001087940939	824039058	/nfs/dbraw/zinc/03/90/58/824039058.db2.gz	CXEQMEURFBPIRU-ZBFHGGJFSA-N	1	0	350.426	1.579	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)/C=C\c4ccc[nH]4)C[C@@H]3C2)C1=O	ZINC001087946159	824077104	/nfs/dbraw/zinc/07/71/04/824077104.db2.gz	BBMIJCXSIAREMD-FIVJTZFBSA-N	1	0	368.481	1.595	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4CC(C)(C)C4)C[C@@H]3C2)C1=O	ZINC001087955083	824138254	/nfs/dbraw/zinc/13/82/54/824138254.db2.gz	WYLBKWAOCUFVNV-NJAFHUGGSA-N	1	0	359.514	1.990	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H]2C[N@H+]([C@@H]3CCN(C4CCC4)C3=O)CC[C@@H]2C1	ZINC001087961812	824183087	/nfs/dbraw/zinc/18/30/87/824183087.db2.gz	KRWOFABRUUQBDU-ZIFCJYIRSA-N	1	0	355.482	1.334	20	30		FDEDRO
C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)C1	ZINC001087962459	824198627	/nfs/dbraw/zinc/19/86/27/824198627.db2.gz	RIWVSFQQVYPABC-QRQLOZEOSA-N	1	0	357.498	1.439	20	30		FDEDRO
Cn1ccc(CC(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4)CC[C@@H]3C2)n1	ZINC001087963754	824213329	/nfs/dbraw/zinc/21/33/29/824213329.db2.gz	GFHRTERKMGKIQK-MOPGFXCFSA-N	1	0	363.465	1.815	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CO[C@H]4CCOC4)C[C@@H]3C2)cc1	ZINC001087964473	824218386	/nfs/dbraw/zinc/21/83/86/824218386.db2.gz	MCJXLTYNFHYXFB-AABGKKOBSA-N	1	0	369.465	1.644	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C(=O)C(C)(C)C)C[C@@H]2C1	ZINC001087976173	824318306	/nfs/dbraw/zinc/31/83/06/824318306.db2.gz	CLLPWRIJIQPRQB-FGTMMUONSA-N	1	0	359.514	1.827	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)C[C@@H]2C1	ZINC001087977639	824326710	/nfs/dbraw/zinc/32/67/10/824326710.db2.gz	POEMBVNYJBGBOU-QRVBRYPASA-N	1	0	357.498	1.439	20	30		FDEDRO
N#Cc1c2ccccc2[nH]c1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000896401251	824386040	/nfs/dbraw/zinc/38/60/40/824386040.db2.gz	SRWPXCGFOLTJCA-OAHLLOKOSA-N	1	0	367.453	1.176	20	30		FDEDRO
C=CCCCN(CC)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000896469006	824425605	/nfs/dbraw/zinc/42/56/05/824425605.db2.gz	DUEWOVJNDNSILZ-GOSISDBHSA-N	1	0	352.523	1.781	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NC2(c3ccc4c(c3)OCCO4)CC2)C1	ZINC000896489398	824440762	/nfs/dbraw/zinc/44/07/62/824440762.db2.gz	NOMMMWOKQPQSSR-MRXNPFEDSA-N	1	0	355.438	1.844	20	30		FDEDRO
CN1C(=O)N[C@@H]2CN(C(=O)NC3CC[NH+](Cc4ccccn4)CC3)CC[C@@H]21	ZINC000329017798	824534361	/nfs/dbraw/zinc/53/43/61/824534361.db2.gz	GULDUKIPDGYDBH-SJORKVTESA-N	1	0	372.473	1.262	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2OCCN(CC(=O)NCc3cnn(-c4ccccc4)c3)[C@@H]2C1	ZINC000329032655	824540079	/nfs/dbraw/zinc/54/00/79/824540079.db2.gz	QDOQUFOKOPCHTE-MOPGFXCFSA-N	1	0	369.469	1.734	20	30		FDEDRO
Cn1ccc(N2CCC[C@H](NC(=O)N3CCCC34CC[NH+](C)CC4)C2=O)n1	ZINC000329057931	824549450	/nfs/dbraw/zinc/54/94/50/824549450.db2.gz	IRWVEFYEGDSABW-HNNXBMFYSA-N	1	0	374.489	1.390	20	30		FDEDRO
C[NH+]1CCC2(CCCN2C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC1	ZINC000329068174	824554800	/nfs/dbraw/zinc/55/48/00/824554800.db2.gz	MIAPCAPSSUKUQL-MRXNPFEDSA-N	1	0	358.490	1.920	20	30		FDEDRO
CC(=O)N1CCC(NC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CC1	ZINC000329122900	824611209	/nfs/dbraw/zinc/61/12/09/824611209.db2.gz	RMZAVZSDMFUYOT-UHFFFAOYSA-N	1	0	366.506	1.346	20	30		FDEDRO
Cn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)cnc21	ZINC000329134739	824617947	/nfs/dbraw/zinc/61/79/47/824617947.db2.gz	BXIDNIDXERRHCX-LBPRGKRZSA-N	1	0	357.414	1.356	20	30		FDEDRO
CN1C(=O)N[C@@H]2CN(C(=O)NC[C@@H]3CCC[N@@H+]3C3CCCCC3)CC[C@@H]21	ZINC000329157950	824633658	/nfs/dbraw/zinc/63/36/58/824633658.db2.gz	CQVDYERRFJUAKB-BBWFWOEESA-N	1	0	363.506	2.000	20	30		FDEDRO
Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000329160448	824637823	/nfs/dbraw/zinc/63/78/23/824637823.db2.gz	YGDWMAFNLLOHHW-RDJZCZTQSA-N	1	0	361.490	1.809	20	30		FDEDRO
CC(C)NC(=O)NC1(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)CCCCC1	ZINC000329169256	824639496	/nfs/dbraw/zinc/63/94/96/824639496.db2.gz	JBVUSKIGCCGRGU-JKSUJKDBSA-N	1	0	366.506	1.533	20	30		FDEDRO
C[C@@H]1CCC[N@H+](CCNC(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)C1	ZINC000329184473	824652927	/nfs/dbraw/zinc/65/29/27/824652927.db2.gz	ADKQPUQCIXGBEN-IAGOWNOFSA-N	1	0	365.522	1.902	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1	ZINC000329214133	824672711	/nfs/dbraw/zinc/67/27/11/824672711.db2.gz	KQVOTGMTPGUNNR-KBRIMQKVSA-N	1	0	368.428	1.544	20	30		FDEDRO
C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1	ZINC000329216191	824673871	/nfs/dbraw/zinc/67/38/71/824673871.db2.gz	OBFIPBAKBGSPJN-HUUCEWRRSA-N	1	0	366.506	1.137	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(OCC(N)=O)c3)C[C@@H]2C1	ZINC001087985726	824690651	/nfs/dbraw/zinc/69/06/51/824690651.db2.gz	ADCQINRGKHNRRU-SJORKVTESA-N	1	0	357.454	1.521	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCCc2cnccn2)CC1	ZINC000329364192	824756537	/nfs/dbraw/zinc/75/65/37/824756537.db2.gz	HVRKCABVORHBAX-CALCHBBNSA-N	1	0	360.506	1.424	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)C1	ZINC000329454793	824805312	/nfs/dbraw/zinc/80/53/12/824805312.db2.gz	MKIBYGNAUZYYRF-XDNAFOTISA-N	1	0	369.506	1.119	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1	ZINC000329510865	824844227	/nfs/dbraw/zinc/84/42/27/824844227.db2.gz	BURQXSZJEJLPDM-MRXNPFEDSA-N	1	0	363.462	1.594	20	30		FDEDRO
O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)N1CCC2(CC1)CC(=O)C=CO2	ZINC000896749709	824855723	/nfs/dbraw/zinc/85/57/23/824855723.db2.gz	WKMWCILENUDZOH-MRXNPFEDSA-N	1	0	363.458	1.287	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)C[C@H]1CC[N@H+](C)C1	ZINC000984782258	824878918	/nfs/dbraw/zinc/87/89/18/824878918.db2.gz	JXQZWRCLFRLGGD-UKPHBRMFSA-N	1	0	357.458	1.337	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC000984782550	824906511	/nfs/dbraw/zinc/90/65/11/824906511.db2.gz	MWGACGZATONDEM-JJAZEVLHSA-N	1	0	357.458	1.336	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC3(C)C)[C@H]2CC)CC1	ZINC000984785915	824912905	/nfs/dbraw/zinc/91/29/05/824912905.db2.gz	UMNWGOATNPHLKF-OKZBNKHCSA-N	1	0	359.514	1.873	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3[nH]c(C)c(C(N)=O)c3CC)C[C@@H]2C1	ZINC001087992436	824953613	/nfs/dbraw/zinc/95/36/13/824953613.db2.gz	VMTKPNIZQMZWII-CABCVRRESA-N	1	0	356.470	1.402	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cccnc3)CC[C@@H]2C1	ZINC001087998026	825074560	/nfs/dbraw/zinc/07/45/60/825074560.db2.gz	NFSJVSGJRVYMQO-AABGKKOBSA-N	1	0	352.482	1.460	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)n(CCC#N)n1	ZINC000525838465	828732929	/nfs/dbraw/zinc/73/29/29/828732929.db2.gz	UHXRHBLQUXEOJV-HNNXBMFYSA-N	1	0	360.462	1.377	20	30		FDEDRO
CN1CCN(CC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)CC1=O	ZINC000329644803	825167155	/nfs/dbraw/zinc/16/71/55/825167155.db2.gz	DHKJAWAQPVZRQA-UHFFFAOYSA-N	1	0	358.486	1.554	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3cn4c(n3)C[C@@H](OC)CC4)C[C@@H]2C1	ZINC001088010519	825222232	/nfs/dbraw/zinc/22/22/32/825222232.db2.gz	XWKUAOYRASBEAU-IKGGRYGDSA-N	1	0	358.486	1.814	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCCOC)C[C@H]1C(F)(F)F	ZINC001112173861	825327787	/nfs/dbraw/zinc/32/77/87/825327787.db2.gz	RNKRNAMXWXEYBZ-MGPQQGTHSA-N	1	0	352.397	1.983	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3nnc(-c4ccco4)n3)C[C@@H]2C1	ZINC001088023199	825349008	/nfs/dbraw/zinc/34/90/08/825349008.db2.gz	SSJZKXRUNJVDDP-CABCVRRESA-N	1	0	356.430	1.290	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCN(CC)C2=O)C1	ZINC000984905234	825360650	/nfs/dbraw/zinc/36/06/50/825360650.db2.gz	IARGXJGLYHXTMW-TXTZMMAHSA-N	1	0	363.502	1.463	20	30		FDEDRO
CC[C@@H]1CN(C(=O)NC2CCN(C(=O)C3CC3)CC2)CC[N@@H+]1C[C@@H](C)O	ZINC000329763506	825435025	/nfs/dbraw/zinc/43/50/25/825435025.db2.gz	UQDFBVAIJKSIIB-RHSMWYFYSA-N	1	0	366.506	1.078	20	30		FDEDRO
Cc1nn(C)cc1[C@H](C)NC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1	ZINC000329815780	825478527	/nfs/dbraw/zinc/47/85/27/825478527.db2.gz	FDOZKRTYPBLAID-RDJZCZTQSA-N	1	0	362.522	1.805	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCn2ncnc2C1	ZINC000329933395	825550522	/nfs/dbraw/zinc/55/05/22/825550522.db2.gz	PZZARBJZIBUORV-WBVHZDCISA-N	1	0	354.458	1.918	20	30		FDEDRO
C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1	ZINC000330079326	825623311	/nfs/dbraw/zinc/62/33/11/825623311.db2.gz	FXWSGERCMMFXSY-UTXMOHQDSA-N	1	0	362.478	1.766	20	30		FDEDRO
C[C@H](CNC(=O)N1C[C@H](C)O[C@]2(CCCOC2)C1)C[NH+]1CCN(C)CC1	ZINC000330131524	825663607	/nfs/dbraw/zinc/66/36/07/825663607.db2.gz	PSQQCAYXZXYFCF-ZIFCJYIRSA-N	1	0	368.522	1.054	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCc3ccccc3C2)CC1	ZINC000330157194	825690570	/nfs/dbraw/zinc/69/05/70/825690570.db2.gz	ZEYZBVWJKPNOCS-RBUKOAKNSA-N	1	0	370.497	1.696	20	30		FDEDRO
CC[C@@H]1CN(C(=O)NCc2nnc3n2CCCC3)C[C@@H]1N1CCOCC1	ZINC000330200479	825730186	/nfs/dbraw/zinc/73/01/86/825730186.db2.gz	AHLIUMOEDCQWJM-CABCVRRESA-N	1	0	362.478	1.071	20	30		FDEDRO
Cc1nn(C)c(C)c1[C@H]1[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC(=O)N1C	ZINC000330233098	825748911	/nfs/dbraw/zinc/74/89/11/825748911.db2.gz	XTZJYGKPJIITKO-DNVCBOLYSA-N	1	0	361.490	1.997	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)ccn1	ZINC000281062674	825868528	/nfs/dbraw/zinc/86/85/28/825868528.db2.gz	CNVCOZRAGPCKOS-HKUYNNGSSA-N	1	0	350.422	1.566	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1c(C(F)F)nc2cnccn21	ZINC000896891199	825935929	/nfs/dbraw/zinc/93/59/29/825935929.db2.gz	TXLWBHWDPRIKJE-UHFFFAOYSA-N	1	0	350.373	1.974	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+](C)CCC(=O)NC(=O)NCc2ccccc2)C1=O	ZINC000281354158	825939259	/nfs/dbraw/zinc/93/92/59/825939259.db2.gz	NGVPTILWRXDUEO-INIZCTEOSA-N	1	0	358.442	1.121	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1	ZINC000281494225	825970896	/nfs/dbraw/zinc/97/08/96/825970896.db2.gz	IYDKSOHPFKUJHK-RLLQIKCJSA-N	1	0	373.497	1.686	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)Cc3ccoc3)[C@@H]2CC)CC1	ZINC000984988255	825999055	/nfs/dbraw/zinc/99/90/55/825999055.db2.gz	GDWGGKLDPPWBBC-RBUKOAKNSA-N	1	0	371.481	1.663	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H](CC)OC)[C@@H]2CC)CC1	ZINC000984989407	826006660	/nfs/dbraw/zinc/00/66/60/826006660.db2.gz	QYNIKJLTQKADQR-RCCFBDPRSA-N	1	0	363.502	1.252	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3ccn(C)c3)[C@@H]2CC)CC1	ZINC000984990200	826008263	/nfs/dbraw/zinc/00/82/63/826008263.db2.gz	YITCYERMHQJQKL-RBUKOAKNSA-N	1	0	370.497	1.480	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1	ZINC000281621653	826114567	/nfs/dbraw/zinc/11/45/67/826114567.db2.gz	XAMIFFHPKIEMFL-XLIONFOSSA-N	1	0	358.486	1.691	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC#CC)C1	ZINC001112175215	826229646	/nfs/dbraw/zinc/22/96/46/826229646.db2.gz	QIKMUILVXOSLAW-RBSFLKMASA-N	1	0	359.392	1.460	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC000985086662	826314875	/nfs/dbraw/zinc/31/48/75/826314875.db2.gz	JPMUBINCRKSNQG-USXIJHARSA-N	1	0	357.458	1.480	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)CC[C@@H]2C1	ZINC001088093740	826347525	/nfs/dbraw/zinc/34/75/25/826347525.db2.gz	LYXQEPNVQGTPKI-GUXCAODWSA-N	1	0	361.486	1.518	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3cscn3)[C@H]2C)CC1	ZINC000987451318	833046479	/nfs/dbraw/zinc/04/64/79/833046479.db2.gz	GLMVWEZYACUMGW-HIFRSBDPSA-N	1	0	360.483	1.208	20	30		FDEDRO
C[C@]1(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4C#N)CC[C@@H]3C2)CCNC1=O	ZINC001088104282	826408554	/nfs/dbraw/zinc/40/85/54/826408554.db2.gz	BQUJGCCLSBWNRV-LQWHRVPQSA-N	1	0	366.465	1.365	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1	ZINC001088138067	826620622	/nfs/dbraw/zinc/62/06/22/826620622.db2.gz	RLZGNWAKQUIDMR-XWSJACJDSA-N	1	0	358.486	1.682	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC000985160160	826648368	/nfs/dbraw/zinc/64/83/68/826648368.db2.gz	BDGRMVQVPXBURX-RRQGHBQHSA-N	1	0	357.458	1.337	20	30		FDEDRO
N#Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cnon4)C[C@@H]3C2)ccc1F	ZINC001088145360	826706289	/nfs/dbraw/zinc/70/62/89/826706289.db2.gz	AYQCUGVVEODUKG-HIFRSBDPSA-N	1	0	355.373	1.674	20	30		FDEDRO
C#CCOc1cccc(Cl)c1C[NH+]1CCC2(CC1)C[C@H](O)CNC2=O	ZINC000897043317	826826848	/nfs/dbraw/zinc/82/68/48/826826848.db2.gz	USYGDTCLXWSGOT-AWEZNQCLSA-N	1	0	362.857	1.815	20	30		FDEDRO
Cc1nonc1CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)CC[C@@H]2C1	ZINC001088156767	826901236	/nfs/dbraw/zinc/90/12/36/826901236.db2.gz	FWXAIGSURPCVDK-MSOLQXFVSA-N	1	0	365.437	1.773	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(C4CCOCC4)nn3)C[C@@H]2C1	ZINC001088163203	826930362	/nfs/dbraw/zinc/93/03/62/826930362.db2.gz	DFVOXANYZPEZGV-CVEARBPZSA-N	1	0	359.474	1.600	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cn(C4CCOCC4)nn3)C[C@@H]2C1	ZINC001088163392	826932036	/nfs/dbraw/zinc/93/20/36/826932036.db2.gz	MURNESVLXYPQCM-CVEARBPZSA-N	1	0	357.458	1.047	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCCS(=O)(=O)C3)C[C@@H]2C1	ZINC001088163411	826932632	/nfs/dbraw/zinc/93/26/32/826932632.db2.gz	NXRVYRNJLJWVRY-BBWFWOEESA-N	1	0	354.516	1.558	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2CC)nc1	ZINC000985210448	826933254	/nfs/dbraw/zinc/93/32/54/826933254.db2.gz	WRWXQKBOGROSHB-VYCZESIESA-N	1	0	368.481	1.512	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cnn(CC(F)(F)F)c2)CC1	ZINC000475259942	827090635	/nfs/dbraw/zinc/09/06/35/827090635.db2.gz	AFLFQRQRWMRUFP-UHFFFAOYSA-N	1	0	373.379	1.541	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3ccccc3C(N)=O)C[C@@H]2C1	ZINC001088170434	827103522	/nfs/dbraw/zinc/10/35/22/827103522.db2.gz	RJIUNQZVHBDFEO-MSOLQXFVSA-N	1	0	353.466	1.522	20	30		FDEDRO
CC(C)[C@H]([NH2+]Cc1cc(C#N)cs1)C(=O)N(C)Cc1nnc2n1CCC2	ZINC000475346200	827167675	/nfs/dbraw/zinc/16/76/75/827167675.db2.gz	GEUJJRVGHAFTCN-KRWDZBQOSA-N	1	0	372.498	1.930	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CN3Cc4ccccc4C3=O)C[C@@H]2C1	ZINC001088175370	827226280	/nfs/dbraw/zinc/22/62/80/827226280.db2.gz	SKIOCUITKKUFIU-AEFFLSMTSA-N	1	0	353.466	1.999	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]2C[N@H+](Cc3ccnn3C)CC[C@@H]2C1	ZINC001088183928	827312503	/nfs/dbraw/zinc/31/25/03/827312503.db2.gz	DQAZWMDYXRWDFZ-UXHICEINSA-N	1	0	362.477	1.924	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c(=O)oc4ccccc43)C[C@@H]2C1	ZINC001088196663	827409681	/nfs/dbraw/zinc/40/96/81/827409681.db2.gz	SVMUJQKSTJHIMQ-CVEARBPZSA-N	1	0	353.422	1.398	20	30		FDEDRO
Cn1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)s4)CC[C@@H]3C2)n1	ZINC001088200797	827440297	/nfs/dbraw/zinc/44/02/97/827440297.db2.gz	WNXNWZDENGNNPP-KGLIPLIRSA-N	1	0	355.467	1.947	20	30		FDEDRO
Cc1nonc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@@H]2C1	ZINC001088220823	827548186	/nfs/dbraw/zinc/54/81/86/827548186.db2.gz	WSZZNWQUTURFPS-SJORKVTESA-N	1	0	351.410	1.844	20	30		FDEDRO
CCO[C@H]1C[C@@H](NC(=[NH2+])N2CCN(c3ncccn3)CC2)C12CCCC2	ZINC000262506268	827681538	/nfs/dbraw/zinc/68/15/38/827681538.db2.gz	BJUHBFMRDMWMDM-CVEARBPZSA-N	1	0	358.490	1.651	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2cnn(C)c2)C[C@H]1C(F)(F)F	ZINC001112185177	827870297	/nfs/dbraw/zinc/87/02/97/827870297.db2.gz	XVNJUWGDIFKSPW-BPLDGKMQSA-N	1	0	356.392	1.601	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2nnn(C(C)C)c2C)C[C@H]1C(F)(F)F	ZINC001112185035	827876426	/nfs/dbraw/zinc/87/64/26/827876426.db2.gz	QDKUFKKYTOWZCI-CHWSQXEVSA-N	1	0	357.380	1.783	20	30		FDEDRO
CN1C[C@H](C(=O)N2CC[C@H]3CN(CC#Cc4ccccc4)C[C@H]32)CC1=O	ZINC001075855225	827932378	/nfs/dbraw/zinc/93/23/78/827932378.db2.gz	DQCOLHDQYSTVCX-IPMKNSEASA-N	1	0	351.450	1.049	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](C)N2CCc3ccccc32)CC1	ZINC000303888704	827939785	/nfs/dbraw/zinc/93/97/85/827939785.db2.gz	PAFHZFFKXMFCJO-HNNXBMFYSA-N	1	0	373.501	1.963	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)[C@H]2CC)nc1	ZINC000985493049	828016790	/nfs/dbraw/zinc/01/67/90/828016790.db2.gz	ITFUWLHYWLLRNS-VDZJLULYSA-N	1	0	368.481	1.657	20	30		FDEDRO
C[N@H+]([C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1(CCO)CCOCC1	ZINC000447892221	828928716	/nfs/dbraw/zinc/92/87/16/828928716.db2.gz	UFYAQJCUYDOMEL-SFHVURJKSA-N	1	0	357.454	1.917	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1CC[C@@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1	ZINC001059625842	829031972	/nfs/dbraw/zinc/03/19/72/829031972.db2.gz	HFSPCMXOZHWVLY-BZUAXINKSA-N	1	0	356.470	1.918	20	30		FDEDRO
Cn1c(C#N)ccc1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000448605099	829190358	/nfs/dbraw/zinc/19/03/58/829190358.db2.gz	KRLVDLCISZBYDW-UHFFFAOYSA-N	1	0	351.454	1.444	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCN[C@H](C)c1nc(COC)no1	ZINC001168101309	829226053	/nfs/dbraw/zinc/22/60/53/829226053.db2.gz	QYGBWNWUBWAXEL-IPYPFGDCSA-N	1	0	352.435	1.354	20	30		FDEDRO
Cc1nnnn1-c1ccc(C(=O)N(CCC#N)CCC[NH+](C)C)c(F)c1	ZINC000448801995	829254730	/nfs/dbraw/zinc/25/47/30/829254730.db2.gz	SHKHZFDMCIBCAE-UHFFFAOYSA-N	1	0	359.409	1.417	20	30		FDEDRO
C[NH+](C)CCn1c2cc(NC(=O)Cc3ccc(C#N)nc3)ccc2oc1=O	ZINC000528310968	829348837	/nfs/dbraw/zinc/34/88/37/829348837.db2.gz	JHMOPNCJOGGPEB-UHFFFAOYSA-N	1	0	365.393	1.604	20	30		FDEDRO
N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1	ZINC000841197338	829352180	/nfs/dbraw/zinc/35/21/80/829352180.db2.gz	FMKJGKZLPWVQMK-GDBMZVCRSA-N	1	0	353.426	1.609	20	30		FDEDRO
Cc1nsc(N2CCC[N@H+](C[C@@H](O)COc3ccccc3C#N)CC2)n1	ZINC000528394279	829380787	/nfs/dbraw/zinc/38/07/87/829380787.db2.gz	ZYLQFOURAVPHII-MRXNPFEDSA-N	1	0	373.482	1.670	20	30		FDEDRO
CCC[C@@H]1CN(C[C@@H](O)COc2ccccc2C#N)CC[N@@H+]1CCOC	ZINC000528427907	829399812	/nfs/dbraw/zinc/39/98/12/829399812.db2.gz	AMHXOPOIELTZRE-RTBURBONSA-N	1	0	361.486	1.731	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CC[N@@H+](C[C@@H](O)COc3ccccc3C#N)C2)nc1	ZINC000528504523	829437690	/nfs/dbraw/zinc/43/76/90/829437690.db2.gz	BPTFMMDDWKWZRO-MSOLQXFVSA-N	1	0	364.405	1.718	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3CCCCN3CCO)CC2)cc1	ZINC000449395335	829472447	/nfs/dbraw/zinc/47/24/47/829472447.db2.gz	POAQPDMFIDZIIZ-NRFANRHFSA-N	1	0	356.514	1.959	20	30		FDEDRO
Cn1cc(C[NH2+]C[C@@H]2CCCN2CCCO)c(-c2ccc(C#N)cc2)n1	ZINC000449391294	829481555	/nfs/dbraw/zinc/48/15/55/829481555.db2.gz	YBFHNVRATNZMHE-IBGZPJMESA-N	1	0	353.470	1.895	20	30		FDEDRO
CN(C(=O)C[N@@H+]1CC2(CCOCC2)CC[C@@H]1CO)C1(C#N)CCCCC1	ZINC000528636238	829490588	/nfs/dbraw/zinc/49/05/88/829490588.db2.gz	CKTJGSHYSZPWEX-QGZVFWFLSA-N	1	0	363.502	1.925	20	30		FDEDRO
N#Cc1ccc(C2([NH2+]C[C@](O)(C(N)=O)c3ccccc3)CCOCC2)cc1	ZINC000528780989	829560433	/nfs/dbraw/zinc/56/04/33/829560433.db2.gz	FQLJHBFEIOJAPG-OAQYLSRUSA-N	1	0	365.433	1.527	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@@H]3C2)cc1	ZINC000985831072	829816970	/nfs/dbraw/zinc/81/69/70/829816970.db2.gz	MLTLKGDOAXSYBF-AABGKKOBSA-N	1	0	365.477	1.683	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12	ZINC000729811786	837407298	/nfs/dbraw/zinc/40/72/98/837407298.db2.gz	CFIFFQGXYVAPNK-AIANPOQGSA-N	1	0	365.499	1.353	20	30		FDEDRO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO	ZINC000452392178	830643546	/nfs/dbraw/zinc/64/35/46/830643546.db2.gz	QTQBAKJDUMKVLM-PKOBYXMFSA-N	1	0	359.470	1.925	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO	ZINC000452392175	830643558	/nfs/dbraw/zinc/64/35/58/830643558.db2.gz	QTQBAKJDUMKVLM-HKUYNNGSSA-N	1	0	359.470	1.925	20	30		FDEDRO
CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2ccc(C#N)c(C)n2)c1	ZINC000453663176	830994496	/nfs/dbraw/zinc/99/44/96/830994496.db2.gz	ZCUOJYCCQWCWQA-UHFFFAOYSA-N	1	0	365.437	1.968	20	30		FDEDRO
C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)Nc3cccc(CC#N)c3)C2)CC1	ZINC000453687482	831006010	/nfs/dbraw/zinc/00/60/10/831006010.db2.gz	GTYNZMSZQBJKGJ-QGZVFWFLSA-N	1	0	354.454	1.881	20	30		FDEDRO
C[NH+](C)CCCOC1CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)CC1	ZINC000453705339	831029600	/nfs/dbraw/zinc/02/96/00/831029600.db2.gz	XYGBCFNJENHULZ-UHFFFAOYSA-N	1	0	372.469	1.650	20	30		FDEDRO
C=CC(C)(C)CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1	ZINC000453877890	831155903	/nfs/dbraw/zinc/15/59/03/831155903.db2.gz	GFWKGLJOLUUIEX-UHFFFAOYSA-N	1	0	358.486	1.701	20	30		FDEDRO
C#CCC[N@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001029921290	831230813	/nfs/dbraw/zinc/23/08/13/831230813.db2.gz	GFLJHVSWQKRMLI-OTWHNJEPSA-N	1	0	353.466	1.624	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)C4(CC)CC4)CC[C@@H]3C2)CC1	ZINC000986247095	831359492	/nfs/dbraw/zinc/35/94/92/831359492.db2.gz	WBQKQVAPIKJAMQ-MOPGFXCFSA-N	1	0	371.525	1.829	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)C(C)(C)C)CC[C@@H]3C2)CC1	ZINC000986247191	831359843	/nfs/dbraw/zinc/35/98/43/831359843.db2.gz	XJMQAEZMUSVOLD-MSOLQXFVSA-N	1	0	359.514	1.685	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C4(C)CC4)C[C@@H]3C2)CC1	ZINC000986241572	831376003	/nfs/dbraw/zinc/37/60/03/831376003.db2.gz	KVAMHLSUEPCZRD-MSOLQXFVSA-N	1	0	357.498	1.439	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]2C1	ZINC000986251119	831377348	/nfs/dbraw/zinc/37/73/48/831377348.db2.gz	ZIYVOZPABNDYNI-QYZOEREBSA-N	1	0	357.498	1.581	20	30		FDEDRO
[NH2+]=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)N1CCN(c2ncccn2)CC1	ZINC000262790160	831453205	/nfs/dbraw/zinc/45/32/05/831453205.db2.gz	KMYYRLHRECEDBV-IUODEOHRSA-N	1	0	358.396	1.748	20	30		FDEDRO
CC[NH+]=C(NC[C@]1(C)CCCC[C@H]1O)NC1CCN(C(=O)C2CC2)CC1	ZINC000262803565	831510240	/nfs/dbraw/zinc/51/02/40/831510240.db2.gz	RMXXUONTDPONEG-XLIONFOSSA-N	1	0	364.534	1.884	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2)CCN1CC#Cc1ccc(Cl)cc1	ZINC001088495465	831799235	/nfs/dbraw/zinc/79/92/35/831799235.db2.gz	UXHXDGHNBXROMM-XOKHGSTOSA-N	1	0	359.857	1.549	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1	ZINC001059725709	831852175	/nfs/dbraw/zinc/85/21/75/831852175.db2.gz	XBEVXICWQMKHAM-RYRKJORJSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[N@@H+](C)Cc2cnnn2C)CC1	ZINC001029966320	831945261	/nfs/dbraw/zinc/94/52/61/831945261.db2.gz	PVSRHVMRWLJLRJ-MSOLQXFVSA-N	1	0	361.490	1.467	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)CCC[NH+](C)C)C1	ZINC001059729096	831948641	/nfs/dbraw/zinc/94/86/41/831948641.db2.gz	LTFCIENHFAJTIM-KURKYZTESA-N	1	0	365.518	1.664	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CCN1Cc1ccc(F)c(C#N)c1	ZINC001088505424	832039978	/nfs/dbraw/zinc/03/99/78/832039978.db2.gz	IMEFSYHYKNLOKK-BVGQSLNGSA-N	1	0	360.433	1.107	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001105438922	832345087	/nfs/dbraw/zinc/34/50/87/832345087.db2.gz	RPBCXUVKGTUPCU-JEWRLFTDSA-N	1	0	361.873	1.667	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+](C)CC2CCN(C(=O)[C@H]3CC[C@@H](C)O3)CC2)C1=O	ZINC001029998685	832346513	/nfs/dbraw/zinc/34/65/13/832346513.db2.gz	XCDQNAGEDCFIKY-BPQIPLTHSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@](C[NH2+]CC(N)=O)(c2ccccc2)C1	ZINC001105441350	832420839	/nfs/dbraw/zinc/42/08/39/832420839.db2.gz	ODYWTBMXUOTXOS-MEZWHVQBSA-N	1	0	371.481	1.259	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CCCCC[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1	ZINC000987093861	832556966	/nfs/dbraw/zinc/55/69/66/832556966.db2.gz	AINAFNWJFNATQE-IXDOHACOSA-N	1	0	365.518	1.805	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)Cc2cncnc2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088544379	832577013	/nfs/dbraw/zinc/57/70/13/832577013.db2.gz	BGPXWIVJQDZJRJ-BEFAXECRSA-N	1	0	365.437	1.701	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cnnn2C)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088549119	832642278	/nfs/dbraw/zinc/64/22/78/832642278.db2.gz	VTPINGAASJXFNE-CJNGLKHVSA-N	1	0	354.414	1.110	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](CCNC(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC001059787535	832733442	/nfs/dbraw/zinc/73/34/42/832733442.db2.gz	VPDAZQRBPQVSFK-FFZOFVMBSA-N	1	0	371.525	1.733	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3occc3C)[C@H]2C)CC1	ZINC000987349986	832848842	/nfs/dbraw/zinc/84/88/42/832848842.db2.gz	VFJUXUCYKDCDOT-WBVHZDCISA-N	1	0	357.454	1.652	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)C[NH+]1CCC(C)CC1	ZINC000987647833	833514789	/nfs/dbraw/zinc/51/47/89/833514789.db2.gz	WJLORMRABJYGNV-PBHICJAKSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=CC[N@@H+](CCC(=O)NC(=O)NC)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000532554985	834579012	/nfs/dbraw/zinc/57/90/12/834579012.db2.gz	PGXJSJJHIRXOGV-CYBMUJFWSA-N	1	0	357.418	1.057	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1C[C@@H](NC(=O)CCCOCC)[C@H](OC)C1	ZINC001211920823	834894033	/nfs/dbraw/zinc/89/40/33/834894033.db2.gz	GFZUVPXBTDBAJD-IAGOWNOFSA-N	1	0	369.506	1.043	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)CCN1Cc1cc(C#N)ccc1F	ZINC001088574426	834947167	/nfs/dbraw/zinc/94/71/67/834947167.db2.gz	VBOVVMMOSUYLTC-COCCGSRQSA-N	1	0	372.444	1.691	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCc2nncn2CC1	ZINC000888222617	835192743	/nfs/dbraw/zinc/19/27/43/835192743.db2.gz	NCVGALRJZYYKLT-GOSISDBHSA-N	1	0	366.469	1.693	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC1CC1)C2	ZINC001112232186	835321579	/nfs/dbraw/zinc/32/15/79/835321579.db2.gz	HWBQAHGIUDMJLS-KXBFYZLASA-N	1	0	362.474	1.017	20	30		FDEDRO
C=C(Br)CN1CC[C@H](NC(=O)[C@@H]2CC(=O)N(CC)C2)[C@H]1C	ZINC001088602561	835951793	/nfs/dbraw/zinc/95/17/93/835951793.db2.gz	KNJJTGXBWYKDJS-UPJWGTAASA-N	1	0	358.280	1.342	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cccc(OC)n2)C[C@H]1OC	ZINC001211992539	835976699	/nfs/dbraw/zinc/97/66/99/835976699.db2.gz	RAORXWANLYVMTK-DJIMGWMZSA-N	1	0	363.458	1.387	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2oc(CC)nc2C)C[C@H]1OC	ZINC001211994853	836028571	/nfs/dbraw/zinc/02/85/71/836028571.db2.gz	MGRPXXFIJOHQIM-ZMSDIMECSA-N	1	0	365.474	1.842	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C	ZINC000455406857	836038635	/nfs/dbraw/zinc/03/86/35/836038635.db2.gz	IKJJATLAPKSNTQ-PMPSAXMXSA-N	1	0	363.458	1.949	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C	ZINC000455406856	836039074	/nfs/dbraw/zinc/03/90/74/836039074.db2.gz	IKJJATLAPKSNTQ-OAGGEKHMSA-N	1	0	363.458	1.949	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C	ZINC000988640588	836440744	/nfs/dbraw/zinc/44/07/44/836440744.db2.gz	TWEPDCQXKDSKHJ-CVEARBPZSA-N	1	0	356.470	1.489	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CN(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1	ZINC000988650579	836529562	/nfs/dbraw/zinc/52/95/62/836529562.db2.gz	NMLONKDDLGQHKT-KSZLIROESA-N	1	0	363.502	1.226	20	30		FDEDRO
Cc1csc(C(=O)N[C@@H]2CN(Cc3ccc(OCC#N)cc3)C[C@@H]2O)c1	ZINC001083446282	836628044	/nfs/dbraw/zinc/62/80/44/836628044.db2.gz	QFMFWGQEAUFFEA-SJORKVTESA-N	1	0	371.462	1.934	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C[C@H]2CCC(=O)NC2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088616608	836911764	/nfs/dbraw/zinc/91/17/64/836911764.db2.gz	DFXRTNJRNPWUDC-KYJSFNMBSA-N	1	0	354.454	1.554	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccnc(C)c2)[C@@H]1C	ZINC000988737514	836930903	/nfs/dbraw/zinc/93/09/03/836930903.db2.gz	AEXCEAATVBGVPB-NJAFHUGGSA-N	1	0	354.454	1.207	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1	ZINC000938023381	836979178	/nfs/dbraw/zinc/97/91/78/836979178.db2.gz	UZKRQKOZUFSDKC-XSLAGTTESA-N	1	0	363.502	1.559	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCC(=O)NC2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088617586	836994391	/nfs/dbraw/zinc/99/43/91/836994391.db2.gz	QQBOSXGAIBNPDF-JLSDUUJJSA-N	1	0	354.454	1.554	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@@H]1O	ZINC001083456136	837337429	/nfs/dbraw/zinc/33/74/29/837337429.db2.gz	HXIMBPKATLWFBQ-QRVBRYPASA-N	1	0	356.470	1.092	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC[NH2+]C2CC2)cc1	ZINC000666833192	837906226	/nfs/dbraw/zinc/90/62/26/837906226.db2.gz	LEURBYLNICXYNE-UHFFFAOYSA-N	1	0	352.460	1.367	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C	ZINC000989060266	838251749	/nfs/dbraw/zinc/25/17/49/838251749.db2.gz	CXJKIYIQDICBJP-NCOADZHNSA-N	1	0	361.486	1.169	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000429770370	838526209	/nfs/dbraw/zinc/52/62/09/838526209.db2.gz	UHOHHDLQCUJVKP-HZPDHXFCSA-N	1	0	366.425	1.187	20	30		FDEDRO
Cc1nn(C)cc1CC(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H]1C	ZINC001088626278	838569880	/nfs/dbraw/zinc/56/98/80/838569880.db2.gz	DZDNBHHCEUPTAT-BEFAXECRSA-N	1	0	351.454	1.922	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C[C@H]2CCN(C)C2=O)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088645466	838876570	/nfs/dbraw/zinc/87/65/70/838876570.db2.gz	JPDLOZKMJSYFIC-OLMNPRSZSA-N	1	0	354.454	1.506	20	30		FDEDRO
N#CC1(NC(=O)C[NH2+]C2(C(N)=O)C3CC4CC(C3)CC2C4)CCCCC1	ZINC000459760717	838932460	/nfs/dbraw/zinc/93/24/60/838932460.db2.gz	AIJVGWMCSHOPMF-UHFFFAOYSA-N	1	0	358.486	1.599	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@]34C[C@H]3CCC4)[C@H]2C)CC1	ZINC000989256588	838937573	/nfs/dbraw/zinc/93/75/73/838937573.db2.gz	FDRSSAVRDGWGNC-LAVAIGHBSA-N	1	0	357.498	1.627	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1	ZINC000459818753	838962015	/nfs/dbraw/zinc/96/20/15/838962015.db2.gz	DSMQXMFQFOBHTC-UHFFFAOYSA-N	1	0	373.501	1.216	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000459824993	838968681	/nfs/dbraw/zinc/96/86/81/838968681.db2.gz	SWOQGVXFKQHNQK-OAQYLSRUSA-N	1	0	373.497	1.506	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC([NH+]2CCCC2)CC1	ZINC000459928227	839117488	/nfs/dbraw/zinc/11/74/88/839117488.db2.gz	CCJMTRPTAJDLBF-UHFFFAOYSA-N	1	0	354.454	1.603	20	30		FDEDRO
C=CCc1cc(CNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc(OC)c1OC	ZINC000460265788	839403560	/nfs/dbraw/zinc/40/35/60/839403560.db2.gz	ZLGVUBNNSNFEBE-IBGZPJMESA-N	1	0	363.458	1.298	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN(c3nc(C)cc(C#N)n3)C2)CC[N@@H+]1C	ZINC001059968446	839523669	/nfs/dbraw/zinc/52/36/69/839523669.db2.gz	FTEKAPLGRRSRJQ-BPQIPLTHSA-N	1	0	370.501	1.720	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C)C1	ZINC000989372124	839747328	/nfs/dbraw/zinc/74/73/28/839747328.db2.gz	DTIQBSBGCVGKNP-VKJFTORMSA-N	1	0	371.485	1.728	20	30		FDEDRO
CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N	ZINC000760305793	839771051	/nfs/dbraw/zinc/77/10/51/839771051.db2.gz	DLTSRZAUNVGNBY-LBPRGKRZSA-N	1	0	364.450	1.675	20	30		FDEDRO
C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCC1	ZINC001105560891	839971768	/nfs/dbraw/zinc/97/17/68/839971768.db2.gz	FIZZPTQGLLJKGP-BBWFWOEESA-N	1	0	361.486	1.184	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1C[C@@]2(CN(C(C)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105587388	840027542	/nfs/dbraw/zinc/02/75/42/840027542.db2.gz	GNAAOGGSLORXBL-JYBIWHBTSA-N	1	0	365.518	1.397	20	30		FDEDRO
C[C@@H](C[NH+](C)C)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N	ZINC000897761124	840324418	/nfs/dbraw/zinc/32/44/18/840324418.db2.gz	YJBYWMIIWCYIFC-MLBPIDQTSA-N	1	0	364.490	1.840	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(C)c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105594324	840496688	/nfs/dbraw/zinc/49/66/88/840496688.db2.gz	OWRCLRLDGZWIIV-FTEYMNFISA-N	1	0	360.502	1.884	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)noc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105594521	840573441	/nfs/dbraw/zinc/57/34/41/840573441.db2.gz	RNLLJZJYDXSNST-HBXLWWENSA-N	1	0	359.470	1.894	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)CCCC[NH+]1CCCCC1	ZINC000898044920	840685703	/nfs/dbraw/zinc/68/57/03/840685703.db2.gz	DGGCMLNJZMTPFE-QZTJIDSGSA-N	1	0	365.518	1.808	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCn3cncn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105597828	840766368	/nfs/dbraw/zinc/76/63/68/840766368.db2.gz	IGGPGGCRPYWSDJ-ZAWLATJESA-N	1	0	361.490	1.210	20	30		FDEDRO
C=CCNc1ncc(C(=O)N2CCC(CO)([NH2+]CC3CC3)CC2)s1	ZINC000898117614	840783741	/nfs/dbraw/zinc/78/37/41/840783741.db2.gz	JNDNTIZPZFBOOT-UHFFFAOYSA-N	1	0	350.488	1.708	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000898327623	840948645	/nfs/dbraw/zinc/94/86/45/840948645.db2.gz	PNXCYJKKQDAJGT-UHFFFAOYSA-N	1	0	358.486	1.479	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(CC)n[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105600209	840995551	/nfs/dbraw/zinc/99/55/51/840995551.db2.gz	CXIODQLNVIQYPB-XSYGEPLQSA-N	1	0	358.486	1.575	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)CSCC#N)C[C@]12C[C@@H](O)[C@H]([NH2+]CC1CC1)C2	ZINC001105601080	841038607	/nfs/dbraw/zinc/03/86/07/841038607.db2.gz	RREMWEJWZYCCNY-LMSBXDPUSA-N	1	0	351.516	1.619	20	30		FDEDRO
CCCOCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC#CCOC)C2)[C@H]1C(C)C	ZINC001105603149	841163167	/nfs/dbraw/zinc/16/31/67/841163167.db2.gz	FGKGSBJICDORHR-HNBVOPMISA-N	1	0	366.502	1.029	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCOCC(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105603451	841170297	/nfs/dbraw/zinc/17/02/97/841170297.db2.gz	KKDSZJCOVBZILG-JYBIWHBTSA-N	1	0	350.503	1.648	20	30		FDEDRO
C=CCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3nccn3C)C2)[C@@H]1C(C)C	ZINC001105603716	841178768	/nfs/dbraw/zinc/17/87/68/841178768.db2.gz	OMAGGVDHPUIIIF-YKCBXCCJSA-N	1	0	360.502	1.852	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105604575	841184667	/nfs/dbraw/zinc/18/46/67/841184667.db2.gz	VXYXCVSHUMAZCL-JYBIWHBTSA-N	1	0	366.502	1.029	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCC(=O)NCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105606125	841203207	/nfs/dbraw/zinc/20/32/07/841203207.db2.gz	AJKAXEQQHXLALO-SMOSDQRPSA-N	1	0	365.518	1.445	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCC3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105606515	841213273	/nfs/dbraw/zinc/21/32/73/841213273.db2.gz	DRGFRKYQHPIYTP-VURPSTOHSA-N	1	0	362.514	1.793	20	30		FDEDRO
C[NH+](C)[C@H]1CCc2cc(NC(=O)NCCCc3[nH]nc(N)c3C#N)ccc21	ZINC000455879899	841220529	/nfs/dbraw/zinc/22/05/29/841220529.db2.gz	RHQVSDPGEUWVOW-KRWDZBQOSA-N	1	0	367.457	2.167	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCC(=O)NCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105607156	841221855	/nfs/dbraw/zinc/22/18/55/841221855.db2.gz	MIUMMECWXHDBJO-OHDICMOHSA-N	1	0	351.491	1.055	20	30		FDEDRO
C=CCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NCC)C2)[C@@H]1C(C)C	ZINC001105607154	841222400	/nfs/dbraw/zinc/22/24/00/841222400.db2.gz	MIDHLPKPZKBQSM-VVWQDTPRSA-N	1	0	351.491	1.055	20	30		FDEDRO
C=CCCC(=O)N1C[C@]2(C[C@@H](O)[C@H](NCc3csnn3)C2)[C@H]1C(C)C	ZINC001105607443	841226381	/nfs/dbraw/zinc/22/63/81/841226381.db2.gz	RQSMEJWIYDRDDN-AHCXZYCDSA-N	1	0	364.515	1.970	20	30		FDEDRO
Cc1cc(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)nn1CCC#N	ZINC000282077276	841252556	/nfs/dbraw/zinc/25/25/56/841252556.db2.gz	NPJAFYHBDMPONU-INIZCTEOSA-N	1	0	360.462	1.681	20	30		FDEDRO
C=CCOCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCOCC)C2)[C@@H]1C(C)C	ZINC001105609822	841396295	/nfs/dbraw/zinc/39/62/95/841396295.db2.gz	BQCZQYMYAMBLIG-FPAYPSAMSA-N	1	0	354.491	1.192	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncoc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105610011	841538780	/nfs/dbraw/zinc/53/87/80/841538780.db2.gz	FZQNPHBHUUMNDQ-DZJHOTPTSA-N	1	0	359.470	1.840	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H]1C	ZINC000990002798	841786714	/nfs/dbraw/zinc/78/67/14/841786714.db2.gz	VRPQWCDFUUFHMS-HLIPFELVSA-N	1	0	367.493	1.658	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncoc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105611505	841891669	/nfs/dbraw/zinc/89/16/69/841891669.db2.gz	SBNVPURHGZXPAP-DZJHOTPTSA-N	1	0	359.470	1.840	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H]1C	ZINC000990124708	841894172	/nfs/dbraw/zinc/89/41/72/841894172.db2.gz	QXDCBEWHSWNTTK-BDXSIMOUSA-N	1	0	363.502	1.559	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC001060026616	842110959	/nfs/dbraw/zinc/11/09/59/842110959.db2.gz	KQFHZYGXQKAQEB-JTDSTZFVSA-N	1	0	368.481	1.372	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H](CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC001060026682	842115736	/nfs/dbraw/zinc/11/57/36/842115736.db2.gz	LRRMSBYWMKJIEC-KBAYOESNSA-N	1	0	368.481	1.372	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(F)nc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105615002	842228864	/nfs/dbraw/zinc/22/88/64/842228864.db2.gz	NERUUWSJMHUFQO-HBXLWWENSA-N	1	0	359.445	1.824	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cc(C)n[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105615098	842229350	/nfs/dbraw/zinc/22/93/50/842229350.db2.gz	OZMXPTUICLFUPN-IZBJGVDFSA-N	1	0	358.486	1.250	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3nnc[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105615222	842230375	/nfs/dbraw/zinc/23/03/75/842230375.db2.gz	QJBIFQXVIDSOOQ-OHDICMOHSA-N	1	0	361.490	1.280	20	30		FDEDRO
COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C#N)[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105618878	842234077	/nfs/dbraw/zinc/23/40/77/842234077.db2.gz	BNJCTGSHSQSNLM-VXNCWWDNSA-N	1	0	360.458	1.112	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3(O)CCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105622663	842247983	/nfs/dbraw/zinc/24/79/83/842247983.db2.gz	FDOJCEXPTNPOJX-PSBWJHGTSA-N	1	0	350.503	1.834	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COC(C)(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105623118	842250832	/nfs/dbraw/zinc/25/08/32/842250832.db2.gz	NAFGZKDUKNHJTN-CIWUYKSXSA-N	1	0	350.503	1.791	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(=O)NCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105623215	842250919	/nfs/dbraw/zinc/25/09/19/842250919.db2.gz	OFGFEKJJMREXEP-DTTOXWODSA-N	1	0	371.909	1.231	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncn(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105626796	842258074	/nfs/dbraw/zinc/25/80/74/842258074.db2.gz	HQDPIJLKAQKSKM-YKTARERQSA-N	1	0	361.490	1.361	20	30		FDEDRO
CC/C(C)=C/C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC#CCOC)C2)[C@H]1C(C)C	ZINC001105627432	842259636	/nfs/dbraw/zinc/25/96/36/842259636.db2.gz	NPVHGKDNHASRRY-PRIXKCLZSA-N	1	0	362.514	1.959	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncc[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105628963	842262371	/nfs/dbraw/zinc/26/23/71/842262371.db2.gz	ZOMPIJZRRXKSTI-NNFUDEMPSA-N	1	0	362.474	1.192	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3=CCCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105614294	842265800	/nfs/dbraw/zinc/26/58/00/842265800.db2.gz	GHSATDMTFXXZQV-ANTGDGSKSA-N	1	0	360.498	1.713	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCC3CCCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105637863	842274378	/nfs/dbraw/zinc/27/43/78/842274378.db2.gz	WTDFJQJCVHGQQF-RMVXJAJNSA-N	1	0	362.514	1.793	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCC3CCCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105637862	842274832	/nfs/dbraw/zinc/27/48/32/842274832.db2.gz	WTDFJQJCVHGQQF-QCFAMHMHSA-N	1	0	362.514	1.793	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(COC)CCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105643422	842335497	/nfs/dbraw/zinc/33/54/97/842335497.db2.gz	YAZPLHPSJOBBNG-WIRSXHRWSA-N	1	0	362.514	1.793	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3ccon3)[C@H]2C(C)C)C[C@H]1O	ZINC001105643481	842339928	/nfs/dbraw/zinc/33/99/28/842339928.db2.gz	ZCCNFDPTVYTGAJ-JYBIWHBTSA-N	1	0	359.470	1.597	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(OC)ccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105645380	842393788	/nfs/dbraw/zinc/39/37/88/842393788.db2.gz	AFRIVGRCVWMTBL-WERVVEIQSA-N	1	0	371.481	1.693	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@@H]1C(C)C	ZINC001105647410	842413583	/nfs/dbraw/zinc/41/35/83/842413583.db2.gz	QWKXIOAMIINEKX-YKCBXCCJSA-N	1	0	363.502	1.022	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(C(N)=O)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105651362	842445784	/nfs/dbraw/zinc/44/57/84/842445784.db2.gz	GFOFUSRMGORBNV-JEWRLFTDSA-N	1	0	363.502	1.184	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3=CCOCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105655142	842482545	/nfs/dbraw/zinc/48/25/45/842482545.db2.gz	FSBFXDSFAGCWCE-UKAVVXHISA-N	1	0	360.498	1.713	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccn(C)c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105655300	842483639	/nfs/dbraw/zinc/48/36/39/842483639.db2.gz	HEYVLMUJPVUHBC-ANTGDGSKSA-N	1	0	357.498	1.937	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncc(C#C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105656160	842491437	/nfs/dbraw/zinc/49/14/37/842491437.db2.gz	NIFQZLBDUQUANT-VMBXEPDQSA-N	1	0	365.477	1.666	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)nc(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105661422	842700954	/nfs/dbraw/zinc/70/09/54/842700954.db2.gz	IONVIXUNNRBEDU-BNDYYXHWSA-N	1	0	370.497	1.696	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnc(C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105662025	842733720	/nfs/dbraw/zinc/73/37/20/842733720.db2.gz	MDZSBTWHASLETL-WERVVEIQSA-N	1	0	355.482	1.993	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(=O)N(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105661829	842742220	/nfs/dbraw/zinc/74/22/20/842742220.db2.gz	LDYOOWDEPVGWEK-RGCFKVTRSA-N	1	0	351.491	1.007	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)NC(C)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105662245	842748464	/nfs/dbraw/zinc/74/84/64/842748464.db2.gz	MUZQGMFVZMILHL-JEWRLFTDSA-N	1	0	351.491	1.053	20	30		FDEDRO
N#CCc1cccc(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1	ZINC000455911507	842822294	/nfs/dbraw/zinc/82/22/94/842822294.db2.gz	FEXOSOYISNTBSA-UHFFFAOYSA-N	1	0	355.442	1.525	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnc(C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105664256	842883546	/nfs/dbraw/zinc/88/35/46/842883546.db2.gz	XKSONPVSHABPBN-BNDYYXHWSA-N	1	0	355.482	1.993	20	30		FDEDRO
CC(C)Cc1ccc([C@@H](CNC(=O)Cn2cnc(C#N)n2)[NH+](C)C)cc1	ZINC000490492866	861364121	/nfs/dbraw/zinc/36/41/21/861364121.db2.gz	OPXSNEMWYQGUSX-QGZVFWFLSA-N	1	0	354.458	1.767	20	30		FDEDRO
N#C[C@@H]1CCC[C@H]1NC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000461972149	843267017	/nfs/dbraw/zinc/26/70/17/843267017.db2.gz	YYDCLKUDTZBFFT-DLBZAZTESA-N	1	0	371.489	1.370	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH]c(C)cc3=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105666959	843368920	/nfs/dbraw/zinc/36/89/20/843368920.db2.gz	LXGKBVLAXBMSLU-XLBJILASSA-N	1	0	371.481	1.286	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCC(=O)NCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105667659	843651125	/nfs/dbraw/zinc/65/11/25/843651125.db2.gz	SQOJVDSEYUDVRH-YKCBXCCJSA-N	1	0	365.518	1.445	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CNC(=O)C(C)(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105667890	843711267	/nfs/dbraw/zinc/71/12/67/843711267.db2.gz	GDKWOHHYRGEXIL-UOSKARGWSA-N	1	0	365.518	1.301	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(C(CC)CC)C2)[C@@H](O)C1	ZINC001083503785	844865609	/nfs/dbraw/zinc/86/56/09/844865609.db2.gz	BYEMSYBJEBOHPJ-UAGQMJEPSA-N	1	0	351.491	1.151	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nonc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105672426	845146793	/nfs/dbraw/zinc/14/67/93/845146793.db2.gz	AFOWISZDBPYCIG-IIHSZXCVSA-N	1	0	362.474	1.924	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccc(C)nc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105672658	845218161	/nfs/dbraw/zinc/21/81/61/845218161.db2.gz	CLCFWWUPEHQLFN-WKDRNLAYSA-N	1	0	369.509	1.922	20	30		FDEDRO
N#Cc1ccccc1NC1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1	ZINC000898790818	845233639	/nfs/dbraw/zinc/23/36/39/845233639.db2.gz	GRCMFRBAVLSDJN-GOSISDBHSA-N	1	0	354.454	1.682	20	30		FDEDRO
CC[C@H](C#N)Oc1cccc(CNC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)c1	ZINC000842180361	845368703	/nfs/dbraw/zinc/36/87/03/845368703.db2.gz	MXLQCSTVZDZNCD-SOLBZPMBSA-N	1	0	374.485	1.964	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnc(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105675719	845743786	/nfs/dbraw/zinc/74/37/86/845743786.db2.gz	RCYPZURDDZMGSG-FTEYMNFISA-N	1	0	356.470	1.388	20	30		FDEDRO
C#CC[C@H]1NC(=O)N(Cc2ccc(OCC[NH+](CC)CC)c(OC)c2)C1=O	ZINC000842236710	845856069	/nfs/dbraw/zinc/85/60/69/845856069.db2.gz	QYDAAYLPHRPHND-MRXNPFEDSA-N	1	0	373.453	1.860	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)COCCOCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105676308	845890433	/nfs/dbraw/zinc/89/04/33/845890433.db2.gz	VUFFVWIXYIINSN-IZBJGVDFSA-N	1	0	368.518	1.582	20	30		FDEDRO
CN1CC[NH+](C2CCN(C(=O)c3[nH]c4ccccc4c3C#N)CC2)CC1	ZINC000899179374	845912508	/nfs/dbraw/zinc/91/25/08/845912508.db2.gz	MXTBMOITXINQOR-UHFFFAOYSA-N	1	0	351.454	1.892	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nonc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105676588	845962870	/nfs/dbraw/zinc/96/28/70/845962870.db2.gz	XJSKSPRGCDEWOW-FXRXJOCMSA-N	1	0	362.474	1.924	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C)c(C)cn4)[C@@H]3C2)C1=O	ZINC001076075838	847215787	/nfs/dbraw/zinc/21/57/87/847215787.db2.gz	QMLZKJFQHGGYGY-YTQUADARSA-N	1	0	368.481	1.632	20	30		FDEDRO
Cc1noc(CCC(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)n1	ZINC001076109653	847307349	/nfs/dbraw/zinc/30/73/49/847307349.db2.gz	VCENLZRADCSXGV-ZWKOTPCHSA-N	1	0	365.437	1.915	20	30		FDEDRO
C=C(Cl)CN1C[C@@H]2CCN(C(=O)c3ccc(-n4cncn4)nc3)[C@@H]2C1	ZINC001076111014	847308795	/nfs/dbraw/zinc/30/87/95/847308795.db2.gz	GFPGMDSEWBOQLV-LSDHHAIUSA-N	1	0	358.833	1.561	20	30		FDEDRO
CN1C(=O)CC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001076165288	847437534	/nfs/dbraw/zinc/43/75/34/847437534.db2.gz	VDTMXKQZWKFYSL-RCCFBDPRSA-N	1	0	352.438	1.212	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4scnc4C)C[C@H]32)nn1	ZINC001076335964	847882222	/nfs/dbraw/zinc/88/22/22/847882222.db2.gz	DXVIEXMGFXADRE-DZGCQCFKSA-N	1	0	358.471	1.576	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@H]32)cc1	ZINC001076333553	847908544	/nfs/dbraw/zinc/90/85/44/847908544.db2.gz	FPQHJMZILQZKJX-YTQUADARSA-N	1	0	367.449	1.124	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(-n4cncn4)n3)[C@@H]2C1	ZINC001076412074	848078283	/nfs/dbraw/zinc/07/82/83/848078283.db2.gz	MSOLVQRWCFEJHU-DOTOQJQBSA-N	1	0	352.442	1.775	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CCn4nc(C)cc4C)C[C@H]32)nc1	ZINC001076475697	848238809	/nfs/dbraw/zinc/23/88/09/848238809.db2.gz	ADWJPZMZDVXOSO-AZUAARDMSA-N	1	0	363.465	1.723	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)cc1F	ZINC001076574568	848450069	/nfs/dbraw/zinc/45/00/69/848450069.db2.gz	JLFHLVNTWSVDEH-PKOBYXMFSA-N	1	0	356.445	1.826	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4c[nH]c(C(N)=O)c4)[C@@H]3C2)c1	ZINC001076578858	848479579	/nfs/dbraw/zinc/47/95/79/848479579.db2.gz	XPIXEOGFVBRJTE-MAUKXSAKSA-N	1	0	363.421	1.332	20	30		FDEDRO
C=C[C@H](C(=O)N1CC[C@H]2C[N@H+](CCn3cncn3)C[C@H]21)c1ccccc1	ZINC001076599139	848535259	/nfs/dbraw/zinc/53/52/59/848535259.db2.gz	DCZFHZADBSSHKU-GBESFXJTSA-N	1	0	351.454	1.781	20	30		FDEDRO
CCCc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)cc1	ZINC001076855645	849213106	/nfs/dbraw/zinc/21/31/06/849213106.db2.gz	GCRMNRVPAZAYTH-RTBURBONSA-N	1	0	352.438	1.814	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CCCc3cccc(F)c3)C[C@H]2O)c1	ZINC001076855754	849213730	/nfs/dbraw/zinc/21/37/30/849213730.db2.gz	LREVTHRANBCPBT-QZTJIDSGSA-N	1	0	356.401	1.433	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCC3(F)F)C[C@H]2O)c1	ZINC001076855660	849214124	/nfs/dbraw/zinc/21/41/24/849214124.db2.gz	GWPWBKYHOKJLST-BPLDGKMQSA-N	1	0	352.385	1.487	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCc3ccc(Cl)cc3)C[C@H]2O)[nH]1	ZINC001076898352	849282097	/nfs/dbraw/zinc/28/20/97/849282097.db2.gz	FDRRPTCKWBMVIP-IAGOWNOFSA-N	1	0	358.829	1.557	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCc4ccccc43)C[C@H]2O)c[nH]1	ZINC001076906025	849299721	/nfs/dbraw/zinc/29/97/21/849299721.db2.gz	KHTKURZLEHTNSH-GUDVDZBRSA-N	1	0	350.422	1.739	20	30		FDEDRO
C[C@H](c1ccc2c(c1)CCC2)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1	ZINC001076907363	849302492	/nfs/dbraw/zinc/30/24/92/849302492.db2.gz	MEHKYCGDPKCZAR-SMHULIPUSA-N	1	0	364.449	1.911	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1	ZINC000483205899	849381260	/nfs/dbraw/zinc/38/12/60/849381260.db2.gz	WIZPEFRWBKUKOS-DNVCBOLYSA-N	1	0	359.474	1.655	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1	ZINC001077000808	849503357	/nfs/dbraw/zinc/50/33/57/849503357.db2.gz	RGSGSFHMGNVYST-DJIMGWMZSA-N	1	0	355.910	1.555	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(Cc3ccc(C#N)c(F)c3)C[C@H]2O)CC[N@@H+]1C	ZINC001077026531	849573325	/nfs/dbraw/zinc/57/33/25/849573325.db2.gz	ASTGVRNDYBCNAH-JCHJZTRSSA-N	1	0	374.460	1.089	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(C)sc2C)C[C@H]1O	ZINC001077158836	849953905	/nfs/dbraw/zinc/95/39/05/849953905.db2.gz	AUIZVKFAPDFYMA-FGTMMUONSA-N	1	0	361.511	1.124	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)c(C)c2)C[C@H]1O	ZINC001077158933	849954458	/nfs/dbraw/zinc/95/44/58/849954458.db2.gz	FQYOXWRCIYRHFV-HSALFYBXSA-N	1	0	355.482	1.062	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1O	ZINC001077247216	850239809	/nfs/dbraw/zinc/23/98/09/850239809.db2.gz	QUZLVHRWBVEDNE-CGTJXYLNSA-N	1	0	360.454	1.595	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O	ZINC001077280943	850385430	/nfs/dbraw/zinc/38/54/30/850385430.db2.gz	QRUDNLGVLYKHAL-QHAWAJNXSA-N	1	0	369.509	1.320	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccc2c[nH+]cn2c1	ZINC001077380794	850757650	/nfs/dbraw/zinc/75/76/50/850757650.db2.gz	LCEUHUIPIIKRNU-QGTPRVQTSA-N	1	0	370.453	1.940	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COc3ccc(Cl)cc32)C1	ZINC001077387881	850777469	/nfs/dbraw/zinc/77/74/69/850777469.db2.gz	BIUKMKJHRMZUFI-BZUAXINKSA-N	1	0	350.846	1.944	20	30		FDEDRO
COC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000904411053	851203069	/nfs/dbraw/zinc/20/30/69/851203069.db2.gz	IYOAGNAEUCAFEJ-LBPRGKRZSA-N	1	0	358.377	1.335	20	30		FDEDRO
CCc1nc(C#N)cc(N2CCCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1	ZINC001060185272	851543782	/nfs/dbraw/zinc/54/37/82/851543782.db2.gz	VBBGJJDJFHHZKK-DJIMGWMZSA-N	1	0	370.501	1.726	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)C1	ZINC000668434697	851561681	/nfs/dbraw/zinc/56/16/81/851561681.db2.gz	QFUDODXQNJGKEL-ROUUACIJSA-N	1	0	364.534	1.189	20	30		FDEDRO
CNC(=O)Cc1nc(CN2CCN(Cc3ccc(C#N)cc3)CC2)cs1	ZINC000485225943	851816432	/nfs/dbraw/zinc/81/64/32/851816432.db2.gz	VTEPTBXLVRIRTI-UHFFFAOYSA-N	1	0	369.494	1.621	20	30		FDEDRO
C#CC[C@H](CO)[NH2+]C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2	ZINC000905357560	851856259	/nfs/dbraw/zinc/85/62/59/851856259.db2.gz	MARQFXQNOBZAAJ-CVEARBPZSA-N	1	0	370.371	1.141	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)/C=C\c1ccc(I)o1	ZINC000913514494	862293249	/nfs/dbraw/zinc/29/32/49/862293249.db2.gz	RNQBZBZSXVHDEU-VURMDHGXSA-N	1	0	358.179	1.579	20	30		FDEDRO
CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NCC#CC[NH+](C)C	ZINC000913515235	862294787	/nfs/dbraw/zinc/29/47/87/862294787.db2.gz	OARHDXXSCMVDNM-INIZCTEOSA-N	1	0	351.397	1.400	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCC2(CCOCC2)CO1	ZINC000905425955	851931604	/nfs/dbraw/zinc/93/16/04/851931604.db2.gz	RIBWQKUAEMMDBQ-MSOLQXFVSA-N	1	0	360.454	1.863	20	30		FDEDRO
Cc1cccc(C(=O)NCC#CC[NH+](C)C)c1NC(=O)c1ccncc1	ZINC000913517870	862300864	/nfs/dbraw/zinc/30/08/64/862300864.db2.gz	SSXGLRWXIUGGGV-UHFFFAOYSA-N	1	0	350.422	1.937	20	30		FDEDRO
CCOC(=O)N1[C@H](C(=O)NCC#CC[NH+](C)C)CC[C@H]1c1ccc(C)o1	ZINC000913518901	862302078	/nfs/dbraw/zinc/30/20/78/862302078.db2.gz	FWPBWGPBCLYQFM-HOTGVXAUSA-N	1	0	361.442	1.931	20	30		FDEDRO
CS(=O)(=O)C1CCC(C[NH2+]C[C@@H](O)COc2ccccc2C#N)CC1	ZINC000905507040	851980318	/nfs/dbraw/zinc/98/03/18/851980318.db2.gz	AUVYQQFMBITXSK-ARWYELJZSA-N	1	0	366.483	1.491	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](CO)CCc2ccccc2)cc1	ZINC000905542967	852004532	/nfs/dbraw/zinc/00/45/32/852004532.db2.gz	LJEKQEBCWMKVFM-GOSISDBHSA-N	1	0	358.463	1.915	20	30		FDEDRO
CC1(C)CC[C@H](CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)OC1	ZINC000905643412	852138301	/nfs/dbraw/zinc/13/83/01/852138301.db2.gz	LQVDWEKLKHLEHN-OAHLLOKOSA-N	1	0	351.472	1.912	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1	ZINC000485413954	852147873	/nfs/dbraw/zinc/14/78/73/852147873.db2.gz	VUTWJZSOMQLFNM-YTQUADARSA-N	1	0	356.470	1.948	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)CNCc1ncc(Br)cn1	ZINC000905669044	852154762	/nfs/dbraw/zinc/15/47/62/852154762.db2.gz	RAHMPBJMJLNDOU-CYBMUJFWSA-N	1	0	363.215	1.640	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1CCCCCN1C(=O)OC(C)(C)C	ZINC000905686119	852177188	/nfs/dbraw/zinc/17/71/88/852177188.db2.gz	BZQCOCFJFSAHMZ-DLBZAZTESA-N	1	0	368.522	1.962	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H]1CCCCCN1C(=O)OC(C)(C)C	ZINC000905686121	852177200	/nfs/dbraw/zinc/17/72/00/852177200.db2.gz	BZQCOCFJFSAHMZ-IRXDYDNUSA-N	1	0	368.522	1.962	20	30		FDEDRO
C=CC[C@@H](NCC1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)OC	ZINC000905758448	852248750	/nfs/dbraw/zinc/24/87/50/852248750.db2.gz	XHGPZTHFYUNKRU-QGZVFWFLSA-N	1	0	366.483	1.795	20	30		FDEDRO
C#CCN(C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C1CC[NH+](C)CC1	ZINC000906452594	852901555	/nfs/dbraw/zinc/90/15/55/852901555.db2.gz	WKWOPZJLRUGQBU-UHFFFAOYSA-N	1	0	359.382	1.536	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@]1(C#N)CC2CCC1CC2	ZINC000906504258	852972517	/nfs/dbraw/zinc/97/25/17/852972517.db2.gz	CYLRBZJPIAPMFN-AEBIURJHSA-N	1	0	360.502	1.765	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000906631901	853119191	/nfs/dbraw/zinc/11/91/91/853119191.db2.gz	KOJWWQGCTGBNRE-UHFFFAOYSA-N	1	0	370.497	1.777	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)c1	ZINC000906769120	853291579	/nfs/dbraw/zinc/29/15/79/853291579.db2.gz	ZKSMGGNJVVKMCP-IBGZPJMESA-N	1	0	356.426	1.662	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCC[NH+]3CCCC3)C2=O)cc1	ZINC000486041121	853507798	/nfs/dbraw/zinc/50/77/98/853507798.db2.gz	MVHIWZYYBUIFBE-GOSISDBHSA-N	1	0	369.469	1.444	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1	ZINC000906928469	853522624	/nfs/dbraw/zinc/52/26/24/853522624.db2.gz	KXVBLKCEFJEPKX-WMZOPIPTSA-N	1	0	365.518	1.711	20	30		FDEDRO
COc1cc(C#N)cc(OCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1	ZINC000486085029	853607702	/nfs/dbraw/zinc/60/77/02/853607702.db2.gz	YLUGAEYNQWVBFH-SFHVURJKSA-N	1	0	361.442	1.419	20	30		FDEDRO
C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000486138596	853783635	/nfs/dbraw/zinc/78/36/35/853783635.db2.gz	RGZRTHZEQVUAAD-RDTXWAMCSA-N	1	0	354.454	1.933	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1	ZINC000907284556	854024738	/nfs/dbraw/zinc/02/47/38/854024738.db2.gz	HYOVDABYHFGHMZ-KRWDZBQOSA-N	1	0	365.499	1.927	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1	ZINC000907397111	854146469	/nfs/dbraw/zinc/14/64/69/854146469.db2.gz	HVLKXANIGWGENO-UHFFFAOYSA-N	1	0	351.472	1.351	20	30		FDEDRO
N#CC1(CS(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CCCCC1	ZINC000908007991	854897396	/nfs/dbraw/zinc/89/73/96/854897396.db2.gz	UTUVNLSRFGVGCH-CVEARBPZSA-N	1	0	355.504	1.321	20	30		FDEDRO
N#CC1(CS(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CCCCC1	ZINC000908007993	854897489	/nfs/dbraw/zinc/89/74/89/854897489.db2.gz	UTUVNLSRFGVGCH-HOTGVXAUSA-N	1	0	355.504	1.321	20	30		FDEDRO
N#Cc1cc(F)ccc1CS(=O)(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO	ZINC000908014274	854909940	/nfs/dbraw/zinc/90/99/40/854909940.db2.gz	GXIWXMONHMOHPX-IRXDYDNUSA-N	1	0	367.446	1.058	20	30		FDEDRO
Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc(C)c1C#N	ZINC000908164228	855102327	/nfs/dbraw/zinc/10/23/27/855102327.db2.gz	KQKUXTIPMBZRPM-AYHJJNSGSA-N	1	0	368.481	1.989	20	30		FDEDRO
C=CCn1c(COCCOC)nnc1N1CCN(c2cc[nH+]cc2)[C@@H](C)C1	ZINC000908700653	855704716	/nfs/dbraw/zinc/70/47/16/855704716.db2.gz	NSJZIIKSTWIDIS-INIZCTEOSA-N	1	0	372.473	1.737	20	30		FDEDRO
C=CCn1c(-c2ncnc3[nH]cnc32)nnc1N1CC[NH+](C2CC2)CC1	ZINC000908711851	855715097	/nfs/dbraw/zinc/71/50/97/855715097.db2.gz	LXDVSSCCBSNSLB-UHFFFAOYSA-N	1	0	351.418	1.033	20	30		FDEDRO
C=CCn1c(-c2ncnc3[nH]cnc32)nnc1N1CC[C@H]2[C@H](CC[N@H+]2C)C1	ZINC000908715795	855720433	/nfs/dbraw/zinc/72/04/33/855720433.db2.gz	URTOHPJLYFUPIM-OLZOCXBDSA-N	1	0	365.445	1.279	20	30		FDEDRO
C=CCn1c(-c2ncon2)nnc1N(CCOC)CC1CC[NH+](C)CC1	ZINC000908736593	855731249	/nfs/dbraw/zinc/73/12/49/855731249.db2.gz	OODJYHUTZFLRCY-UHFFFAOYSA-N	1	0	361.450	1.309	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](CCOC(C)C)CC2)C1	ZINC000669288747	862819246	/nfs/dbraw/zinc/81/92/46/862819246.db2.gz	OGNHXEJIONWBRH-QGZVFWFLSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1	ZINC000668814976	856989447	/nfs/dbraw/zinc/98/94/47/856989447.db2.gz	ZUPYMPRMXRZYAD-HKUYNNGSSA-N	1	0	373.497	1.865	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C	ZINC000668820434	857083583	/nfs/dbraw/zinc/08/35/83/857083583.db2.gz	VFVMVLGUOBLBOJ-JQHSSLGASA-N	1	0	353.507	1.711	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1	ZINC000668826591	857143228	/nfs/dbraw/zinc/14/32/28/857143228.db2.gz	GPRPCBLIDMYEQB-QGZVFWFLSA-N	1	0	363.502	1.562	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1	ZINC000910599647	857393249	/nfs/dbraw/zinc/39/32/49/857393249.db2.gz	JYAPXFDBKWXPEE-HNNXBMFYSA-N	1	0	360.483	1.665	20	30		FDEDRO
CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N(C)Cc1cc(C#N)cs1	ZINC000910676647	857495750	/nfs/dbraw/zinc/49/57/50/857495750.db2.gz	UNTSHLUDVCIIHW-UHFFFAOYSA-N	1	0	362.499	1.913	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1	ZINC000910679532	857511508	/nfs/dbraw/zinc/51/15/08/857511508.db2.gz	OWQPRFUOUPBTGJ-OAHLLOKOSA-N	1	0	374.510	1.768	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2cccc(OC)c2C)CC1	ZINC000668836351	857522272	/nfs/dbraw/zinc/52/22/72/857522272.db2.gz	XAGJLWAYSSBZIZ-UHFFFAOYSA-N	1	0	359.470	1.777	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(C[N@@H+](CCO)C(C)C)CC1	ZINC000910875839	857815753	/nfs/dbraw/zinc/81/57/53/857815753.db2.gz	PWOUBLCNOQRVJA-GOSISDBHSA-N	1	0	353.507	1.399	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CCC[C@@]2(CC=CCC2)C1)C1CC[NH+](C)CC1	ZINC000910887049	857841031	/nfs/dbraw/zinc/84/10/31/857841031.db2.gz	YCQROXHGKUSSDP-NRFANRHFSA-N	1	0	357.498	1.891	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@@H]1C1(C[NH3+])CCC1	ZINC000910952318	857924015	/nfs/dbraw/zinc/92/40/15/857924015.db2.gz	JLVMMIRZPGBDGX-ZACQAIPSSA-N	1	0	363.502	1.594	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccncc2)C[C@H]1C	ZINC001105761050	862978958	/nfs/dbraw/zinc/97/89/58/862978958.db2.gz	FIGMANUWBJCNHL-SJLPKXTDSA-N	1	0	358.486	1.804	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2	ZINC000911046033	858083114	/nfs/dbraw/zinc/08/31/14/858083114.db2.gz	AXTGATPYWSSWLI-DBXWQHBBSA-N	1	0	355.482	1.938	20	30		FDEDRO
N#Cc1cc(C(=O)Nc2ccccc2C[N@H+]2CCC[C@H](C(N)=O)C2)c[nH]1	ZINC000488486714	858107433	/nfs/dbraw/zinc/10/74/33/858107433.db2.gz	BBBNKQSGFREARU-AWEZNQCLSA-N	1	0	351.410	1.836	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCO[C@H](CF)C1	ZINC000669335556	863008531	/nfs/dbraw/zinc/00/85/31/863008531.db2.gz	NKPQJUQULDEEJI-OAGGEKHMSA-N	1	0	365.453	1.565	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1	ZINC000911360879	858520921	/nfs/dbraw/zinc/52/09/21/858520921.db2.gz	MFSCGPMYFQQZLO-HNNXBMFYSA-N	1	0	351.491	1.370	20	30		FDEDRO
C=CCCC[C@@H](NC(=O)C(=O)N1CCNCC[NH2+]CC1)c1ccccc1	ZINC000911367128	858557860	/nfs/dbraw/zinc/55/78/60/858557860.db2.gz	WPJXGKDHUWUWNB-GOSISDBHSA-N	1	0	358.486	1.222	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CC[NH2+][C@@H]([C@H]4CCCO4)C3)CC2)c1	ZINC000911635156	858871424	/nfs/dbraw/zinc/87/14/24/858871424.db2.gz	IWPXLRKJZMGNCU-KZNAEPCWSA-N	1	0	369.469	1.149	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@@H](C)N1CC#N	ZINC000911707771	858937944	/nfs/dbraw/zinc/93/79/44/858937944.db2.gz	MFFAIOTWDMSOJI-HLIPFELVSA-N	1	0	356.470	1.068	20	30		FDEDRO
CCCCCCC[C@@]1(C)NC(=O)N(NC(=S)NCC[NH+](C)C)C1=O	ZINC000916122513	881380872	/nfs/dbraw/zinc/38/08/72/881380872.db2.gz	OUWZWZMSHAAQCC-MRXNPFEDSA-N	1	0	357.524	1.598	20	30		FDEDRO
C=CCOCC(=O)N1C[C@H]2C[N@H+](CCCOCC(F)(F)F)C[C@@]2(C)C1	ZINC001101172871	860128883	/nfs/dbraw/zinc/12/88/83/860128883.db2.gz	AAUSPNBPAAJKRY-ZBFHGGJFSA-N	1	0	364.408	1.938	20	30		FDEDRO
C=CCn1c([C@@H]2CN(C)C[C@H](C)O2)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1	ZINC000669014574	860164545	/nfs/dbraw/zinc/16/45/45/860164545.db2.gz	RGUGWKRGGMNCHG-ULQDDVLXSA-N	1	0	362.522	1.632	20	30		FDEDRO
C=CCn1c(-c2cc[nH]n2)nnc1N1CC[NH+](CC2CCOCC2)CC1	ZINC000669031530	860285003	/nfs/dbraw/zinc/28/50/03/860285003.db2.gz	NYCUSMXIZAERKH-UHFFFAOYSA-N	1	0	357.462	1.403	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N[C@H](C(=O)OCC)[C@@H](O)c1ccc(Cl)cc1	ZINC000912948606	861107114	/nfs/dbraw/zinc/10/71/14/861107114.db2.gz	PTUSYIUWPVCSGR-HOTGVXAUSA-N	1	0	368.861	1.929	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CCSC)C[C@H]1C	ZINC001105803041	863263418	/nfs/dbraw/zinc/26/34/18/863263418.db2.gz	DRLRJYGVQYNNSJ-HZPDHXFCSA-N	1	0	353.532	1.624	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCOC(C)C)C1	ZINC001112101218	863276975	/nfs/dbraw/zinc/27/69/75/863276975.db2.gz	CZIWYJQHJKWCOZ-HUUCEWRRSA-N	1	0	364.408	1.820	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C)nc2)C[C@H]1C	ZINC001105828595	863384160	/nfs/dbraw/zinc/38/41/60/863384160.db2.gz	OPRBEUAOZHCPGP-VQIMIIECSA-N	1	0	370.497	1.888	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1C	ZINC001105845851	863472851	/nfs/dbraw/zinc/47/28/51/863472851.db2.gz	YXHFOUFHGUTEFJ-BZUAXINKSA-N	1	0	361.490	1.521	20	30		FDEDRO
CCCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C	ZINC001105850385	863487618	/nfs/dbraw/zinc/48/76/18/863487618.db2.gz	PLPBAYTZFKMJGQ-QLFBSQMISA-N	1	0	354.520	1.232	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]CC(=O)Nc1ccccc1	ZINC001105848261	863493734	/nfs/dbraw/zinc/49/37/34/863493734.db2.gz	RYTAZCNZWARHBR-HUUCEWRRSA-N	1	0	360.483	1.566	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]Cc1cc2n(n1)CCCC2	ZINC001105848303	863493972	/nfs/dbraw/zinc/49/39/72/863493972.db2.gz	UXVHWSNSAOEVGJ-HUUCEWRRSA-N	1	0	361.515	1.660	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCOC)C[C@H]1C	ZINC001105868039	863566245	/nfs/dbraw/zinc/56/62/45/863566245.db2.gz	ZYWSHQKKENRZMY-FGTMMUONSA-N	1	0	367.534	1.910	20	30		FDEDRO
COC(=O)NCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)[C@H](C)C1	ZINC001105879267	863605365	/nfs/dbraw/zinc/60/53/65/863605365.db2.gz	JDFCFROKBSGKFH-IUODEOHRSA-N	1	0	362.405	1.237	20	30		FDEDRO
C=CCn1c(-c2ncccn2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000669455152	863611022	/nfs/dbraw/zinc/61/10/22/863611022.db2.gz	OFXXAGFOQHGVBK-OAHLLOKOSA-N	1	0	355.446	1.222	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)OCC)C[C@H]1C	ZINC001105892672	863728814	/nfs/dbraw/zinc/72/88/14/863728814.db2.gz	CSIRQYKACYHZSI-KURKYZTESA-N	1	0	365.518	1.686	20	30		FDEDRO
CCO[C@@H](CC)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CCC#N)[C@H](C)C1	ZINC001105896621	863773666	/nfs/dbraw/zinc/77/36/66/863773666.db2.gz	BJHOATXWAQQBJI-ZACQAIPSSA-N	1	0	366.506	1.248	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)OC)C[C@H]1C	ZINC001105915516	863977958	/nfs/dbraw/zinc/97/79/58/863977958.db2.gz	KGLPEXCQCWDERJ-BRWVUGGUSA-N	1	0	351.491	1.296	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)COC)C[C@H]2C)c1	ZINC001105933525	864099154	/nfs/dbraw/zinc/09/91/54/864099154.db2.gz	FESRESRLQVCHKD-SOLBZPMBSA-N	1	0	371.481	1.573	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1	ZINC000761105287	864104192	/nfs/dbraw/zinc/10/41/92/864104192.db2.gz	OJWDJDOJPIQUEM-HNNXBMFYSA-N	1	0	374.416	1.753	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1	ZINC000761115269	864147703	/nfs/dbraw/zinc/14/77/03/864147703.db2.gz	ZCHTYJHWKOHEET-HNNXBMFYSA-N	1	0	356.426	1.462	20	30		FDEDRO
C=CC[C@H]1CCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1	ZINC000641841807	864158806	/nfs/dbraw/zinc/15/88/06/864158806.db2.gz	XKEVCUVPXDUYMH-ZWKOTPCHSA-N	1	0	350.507	1.391	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(OCC#N)cc2)[C@H](C)C1	ZINC001105942677	864162021	/nfs/dbraw/zinc/16/20/21/864162021.db2.gz	LTSQMCBICLHYCO-SJLPKXTDSA-N	1	0	357.454	1.976	20	30		FDEDRO
COc1ccccc1NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C	ZINC001105945627	864185619	/nfs/dbraw/zinc/18/56/19/864185619.db2.gz	CCHOVCDECQMRFE-RRFJBIMHSA-N	1	0	358.442	1.477	20	30		FDEDRO
CCCn1nccc1NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C	ZINC001105951369	864210220	/nfs/dbraw/zinc/21/02/20/864210220.db2.gz	DIXCOGJGFKSLAS-RBSFLKMASA-N	1	0	360.462	1.075	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)C2CC2)[C@H](C)C1	ZINC001105984814	864343562	/nfs/dbraw/zinc/34/35/62/864343562.db2.gz	ZUTZPGNJERQZJJ-IAGOWNOFSA-N	1	0	365.518	1.664	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]CC(=O)N1CCC(C)CC1	ZINC001105985030	864345632	/nfs/dbraw/zinc/34/56/32/864345632.db2.gz	AUWHGVNQWPXJIR-NVXWUHKLSA-N	1	0	371.485	1.443	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)[C@H](C)C1	ZINC001105985025	864346619	/nfs/dbraw/zinc/34/66/19/864346619.db2.gz	APJVGXFNONPMMX-HZPDHXFCSA-N	1	0	353.507	1.568	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CCF)[C@H](C)C1	ZINC001105987280	864362880	/nfs/dbraw/zinc/36/28/80/864362880.db2.gz	BPTNJKDPZFNOFU-HZPDHXFCSA-N	1	0	367.469	1.415	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]CCOCC(F)(F)F	ZINC001105989157	864382101	/nfs/dbraw/zinc/38/21/01/864382101.db2.gz	QIUXYQDXSQFOGW-DGCLKSJQSA-N	1	0	358.364	1.763	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)[C@@H]2C)c1	ZINC001088846476	864546296	/nfs/dbraw/zinc/54/62/96/864546296.db2.gz	PWGMLGQHRNPEGJ-KDOFPFPSSA-N	1	0	350.422	1.154	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cccc(=O)n2C)CCN1Cc1cc(C#N)ccc1F	ZINC001088847677	864559674	/nfs/dbraw/zinc/55/96/74/864559674.db2.gz	HENIXSWMUKKBGZ-DYVFJYSZSA-N	1	0	368.412	1.789	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1CN([C@H](C)C(=O)NC(C)(C)CC)C[C@H]1OC	ZINC001212185637	864627930	/nfs/dbraw/zinc/62/79/30/864627930.db2.gz	ZOTJDHRGHBJFLA-BZUAXINKSA-N	1	0	351.491	1.299	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]CC(=O)Nc1ccccc1	ZINC001106025069	864786183	/nfs/dbraw/zinc/78/61/83/864786183.db2.gz	OZYYNNVBZXCICD-GDBMZVCRSA-N	1	0	365.437	1.823	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]CC(=O)NC1CCCC1	ZINC001106026057	864814990	/nfs/dbraw/zinc/81/49/90/864814990.db2.gz	TWMDKGZWJWKCMI-UKRRQHHQSA-N	1	0	357.458	1.243	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](CC)[NH+](C)C)cc1	ZINC001004871555	881805271	/nfs/dbraw/zinc/80/52/71/881805271.db2.gz	URYPZHRZPNUCOE-MKXGPGLRSA-N	1	0	353.466	1.870	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCCC(F)(F)C2)[C@H](C)C1	ZINC001106034612	864914103	/nfs/dbraw/zinc/91/41/03/864914103.db2.gz	INQYBNRRMHWQDE-OWCLPIDISA-N	1	0	369.456	1.636	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1C	ZINC001106032178	864917393	/nfs/dbraw/zinc/91/73/93/864917393.db2.gz	KQLNYQMIZMSFNQ-MWLCHTKSSA-N	1	0	356.268	1.209	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+][C@@H](CC)c2ccccc2)[C@H](C)C1	ZINC001106033508	864923585	/nfs/dbraw/zinc/92/35/85/864923585.db2.gz	UKBOWJGJMZMRPJ-QRQLOZEOSA-N	1	0	355.482	1.961	20	30		FDEDRO
C[NH+]1CCN(C[C@H](NS(=O)(=O)CC2(C#N)CC2)c2ccccc2)CC1	ZINC000766043320	881822848	/nfs/dbraw/zinc/82/28/48/881822848.db2.gz	RBRKBUXLVXYPLC-KRWDZBQOSA-N	1	0	362.499	1.198	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2-c2ccccc2)[C@H](C)C1	ZINC001106065569	865116583	/nfs/dbraw/zinc/11/65/83/865116583.db2.gz	AZSUSSSNKZIKMM-IAGOWNOFSA-N	1	0	366.469	1.650	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1C	ZINC001106071119	865159122	/nfs/dbraw/zinc/15/91/22/865159122.db2.gz	TUAORZDEDXBZFL-IXDOHACOSA-N	1	0	367.534	1.645	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)c2ccc(C)s2)C[C@H]1C	ZINC001106874967	881864012	/nfs/dbraw/zinc/86/40/12/881864012.db2.gz	AXEGOSGVSXRJFF-FVQBIDKESA-N	1	0	361.511	1.594	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCN2CCCC2=O)[C@@H]1C	ZINC001088910826	865395597	/nfs/dbraw/zinc/39/55/97/865395597.db2.gz	JQCKHXNLJCOQHY-DFEOGRTESA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)[C@H]1C	ZINC001088912279	865396179	/nfs/dbraw/zinc/39/61/79/865396179.db2.gz	NKVILCHZARFZES-QSOKESPWSA-N	1	0	356.470	1.756	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088943988	865621594	/nfs/dbraw/zinc/62/15/94/865621594.db2.gz	KISSBJUCWSMZJW-WBMJQRKESA-N	1	0	351.410	1.378	20	30		FDEDRO
CCCCCC[C@H](F)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106880849	881905107	/nfs/dbraw/zinc/90/51/07/881905107.db2.gz	OUSAVITUNUFSSB-OAGGEKHMSA-N	1	0	354.470	1.619	20	30		FDEDRO
COc1ccc(C#N)cc1CN1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1C	ZINC001088980366	865890475	/nfs/dbraw/zinc/89/04/75/865890475.db2.gz	FRTAJQHFRGMZFQ-AYBZRNKSSA-N	1	0	370.497	1.988	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCCCC(F)(F)F)C[C@H]1OC	ZINC001212193256	865941424	/nfs/dbraw/zinc/94/14/24/865941424.db2.gz	BWVWQEPMXGNHKA-UMVBOHGHSA-N	1	0	352.397	1.862	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCCc2cccc(F)c2)C[C@H]1OC	ZINC001212193479	865966221	/nfs/dbraw/zinc/96/62/21/865966221.db2.gz	GCDYXBCCRUBJBA-QWFCFKBJSA-N	1	0	364.461	1.901	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCOc2cccc(C)c2)C[C@H]1OC	ZINC001212193713	866018024	/nfs/dbraw/zinc/01/80/24/866018024.db2.gz	JPQKYZAJYURDAX-QWFCFKBJSA-N	1	0	362.470	1.516	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCOc2ccc(C)cc2)C[C@H]1OC	ZINC001212194409	866085760	/nfs/dbraw/zinc/08/57/60/866085760.db2.gz	RPVYSQGAIJKVTK-GGPKGHCWSA-N	1	0	362.470	1.516	20	30		FDEDRO
CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H]1C	ZINC001089065227	866413901	/nfs/dbraw/zinc/41/39/01/866413901.db2.gz	VDNBAXCFHAPPNM-MDASCCDHSA-N	1	0	354.454	1.648	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)CCC[C@H]12	ZINC000991976045	866694376	/nfs/dbraw/zinc/69/43/76/866694376.db2.gz	QFXHMRCDOCFHSG-LXZJYRNTSA-N	1	0	363.502	1.165	20	30		FDEDRO
C=CCOc1ccc(CC(=O)NC2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000994301281	882082389	/nfs/dbraw/zinc/08/23/89/882082389.db2.gz	BNYUNROXNHFHSH-DNVCBOLYSA-N	1	0	371.481	1.461	20	30		FDEDRO
COc1ccnc(C(=N)Nc2cccc3cc([C@@H]4C[NH2+]CCO4)cn32)n1	ZINC001168427249	867477589	/nfs/dbraw/zinc/47/75/89/867477589.db2.gz	BLQWLPWPKNIGCD-AWEZNQCLSA-N	1	0	352.398	1.436	20	30		FDEDRO
Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)ncc1C#N	ZINC000457662271	867609283	/nfs/dbraw/zinc/60/92/83/867609283.db2.gz	HYMQOLQBPXVWDE-YLJYHZDGSA-N	1	0	364.449	1.875	20	30		FDEDRO
C=CCn1c(-c2cccn2C)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000669811004	867634578	/nfs/dbraw/zinc/63/45/78/867634578.db2.gz	GCGKNCXIZLKGFD-INIZCTEOSA-N	1	0	356.474	1.771	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2cnnn2CC)C[C@H]1C	ZINC001106089784	867925526	/nfs/dbraw/zinc/92/55/26/867925526.db2.gz	UNDRDUUKDCHZPJ-ZYHUDNBSSA-N	1	0	356.268	1.504	20	30		FDEDRO
CC[C@@H]1CN(C(=O)NCc2ccc(C#N)c(OC)c2)CC[N@@H+]1C[C@@H](C)O	ZINC000462480494	868001897	/nfs/dbraw/zinc/00/18/97/868001897.db2.gz	MQYMTXAHUVXTHA-RHSMWYFYSA-N	1	0	360.458	1.553	20	30		FDEDRO
C#Cc1ccc(C(=O)NC2CC(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cn1	ZINC000992157004	868067424	/nfs/dbraw/zinc/06/74/24/868067424.db2.gz	KLCRUQXGNFFALF-SJROMKODSA-N	1	0	368.481	1.418	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]Cc2nc(-c3ccncn3)no2)[C@H](C)C1	ZINC001106102056	868118486	/nfs/dbraw/zinc/11/84/86/868118486.db2.gz	OESZSIDCIBQYOV-HUUCEWRRSA-N	1	0	368.441	1.370	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2cccs2)[C@H](C)C1	ZINC001106105564	868141648	/nfs/dbraw/zinc/14/16/48/868141648.db2.gz	XLMPRZBYLYVFJA-HZPDHXFCSA-N	1	0	361.511	1.708	20	30		FDEDRO
CC(C)CN(C(=O)C[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C)C1CC1	ZINC001106106457	868186950	/nfs/dbraw/zinc/18/69/50/868186950.db2.gz	YGWYSAGZKPIZAJ-SJLPKXTDSA-N	1	0	359.514	1.731	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)c2ccc(C#N)c(O)c2)CC1	ZINC000443288584	868288638	/nfs/dbraw/zinc/28/86/38/868288638.db2.gz	BKHNQQQYXKJOMI-UHFFFAOYSA-N	1	0	372.469	1.620	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cc(C#N)ccc2OC)[C@H](C)C1	ZINC001106110641	868366496	/nfs/dbraw/zinc/36/64/96/868366496.db2.gz	BKUDGQUERAVSOV-JTDSTZFVSA-N	1	0	369.465	1.789	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cnc(OC)nc2C)[C@H](C)C1	ZINC001106110607	868366631	/nfs/dbraw/zinc/36/66/31/868366631.db2.gz	ACCCETUSOOVNEN-FRFSOERESA-N	1	0	360.458	1.016	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cc(OC)ns2)[C@H](C)C1	ZINC001106110891	868384012	/nfs/dbraw/zinc/38/40/12/868384012.db2.gz	DWYBHVLADAKABT-HZSPNIEDSA-N	1	0	351.472	1.374	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@@H+](Cc1ccc(OC)cc1)[C@H](CO)C(C)C	ZINC000491293009	868451825	/nfs/dbraw/zinc/45/18/25/868451825.db2.gz	CALQGFGXOFOKJF-QGZVFWFLSA-N	1	0	363.458	1.526	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCO[C@@H](C)CC(C)C)C[C@H]1C	ZINC001106113782	868469907	/nfs/dbraw/zinc/46/99/07/868469907.db2.gz	LNXGUHVNFHUGMJ-FGTMMUONSA-N	1	0	365.518	1.261	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)c2ccc(F)cc2)[C@H](C)C1	ZINC001106117611	868601465	/nfs/dbraw/zinc/60/14/65/868601465.db2.gz	VTLHCXITUDYRHJ-SZVBFZGTSA-N	1	0	362.445	1.583	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)c2ccc(OCc3nc(C)no3)nc2)C1	ZINC000923595534	868669982	/nfs/dbraw/zinc/66/99/82/868669982.db2.gz	URPDNDARZKIHBG-OAHLLOKOSA-N	1	0	355.398	1.179	20	30		FDEDRO
C=CCCOCCCCC(=O)N1C[C@@H](C[NH2+][C@H](CC)C(N)=O)[C@H](C)C1	ZINC001106124210	868909016	/nfs/dbraw/zinc/90/90/16/868909016.db2.gz	ITOUJGAGKLJTND-BRWVUGGUSA-N	1	0	353.507	1.697	20	30		FDEDRO
COc1cc(CNC(=O)c2ccnc(OCC[NH+](C)C)c2)ccc1C#N	ZINC000460585631	869056975	/nfs/dbraw/zinc/05/69/75/869056975.db2.gz	LZFNWIPYASPTHB-UHFFFAOYSA-N	1	0	354.410	1.832	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@H](OC)c3ccccc3)C[C@@H]2O)cc1	ZINC001083691335	869090033	/nfs/dbraw/zinc/09/00/33/869090033.db2.gz	KJYCUPCWMHGZTK-HKBOAZHASA-N	1	0	364.445	1.831	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cnn(C3CCC3)c2)C[C@H]1C	ZINC001106129439	869184387	/nfs/dbraw/zinc/18/43/87/869184387.db2.gz	ALMNTUYTIMXKAR-HUUCEWRRSA-N	1	0	359.474	1.208	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1	ZINC000994367175	882326598	/nfs/dbraw/zinc/32/65/98/882326598.db2.gz	RDTDXGSRPJAOSH-RBSFLKMASA-N	1	0	366.425	1.251	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)NCc1ccccc1CN1CC[NH+](CC)CC1	ZINC000914058828	870508517	/nfs/dbraw/zinc/50/85/17/870508517.db2.gz	ISRJXMWMOCMERP-LJQANCHMSA-N	1	0	358.486	1.008	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2CC)C[C@@H]1O	ZINC001083853976	882440747	/nfs/dbraw/zinc/44/07/47/882440747.db2.gz	ZPJOXRUJDLXHRJ-YRPNKDGESA-N	1	0	358.482	1.892	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1C	ZINC001106144187	871375875	/nfs/dbraw/zinc/37/58/75/871375875.db2.gz	UGBMTWCRVVCLGH-HBJVGIJOSA-N	1	0	372.307	1.494	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2sccc2Cl)C[C@H]1C	ZINC001106159479	871472995	/nfs/dbraw/zinc/47/29/95/871472995.db2.gz	UDAIXXDWTATQAQ-VXGBXAGGSA-N	1	0	353.875	1.449	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CNC(=O)c2ccncc2)C[C@H]1C	ZINC001106163489	871496946	/nfs/dbraw/zinc/49/69/46/871496946.db2.gz	VUCPLICXWLJCLP-SOLBZPMBSA-N	1	0	358.486	1.850	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)CC)C2)C[C@H]1C	ZINC001106163287	871514805	/nfs/dbraw/zinc/51/48/05/871514805.db2.gz	QGLLXVDGFUAJEB-FGTMMUONSA-N	1	0	365.518	1.522	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)NC(=O)C2CCCC2)C[C@H]1C	ZINC001106167067	871524205	/nfs/dbraw/zinc/52/42/05/871524205.db2.gz	LFNWTFXIZCRFBZ-JFIYKMOQSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CNC(=O)c2ccoc2C)C[C@H]1C	ZINC001106167834	871537813	/nfs/dbraw/zinc/53/78/13/871537813.db2.gz	OFELQJNJTUUVMJ-BXUZGUMPSA-N	1	0	353.850	1.754	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NCC)[C@H](C)C1	ZINC001106179035	871629056	/nfs/dbraw/zinc/62/90/56/871629056.db2.gz	FVAVDVWSRGXCAO-RBSFLKMASA-N	1	0	366.506	1.507	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1	ZINC000922082752	871928783	/nfs/dbraw/zinc/92/87/83/871928783.db2.gz	WMUMMSJOKBZXIT-IUODEOHRSA-N	1	0	356.879	1.765	20	30		FDEDRO
C#CCOCCC(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1	ZINC000152615054	871979467	/nfs/dbraw/zinc/97/94/67/871979467.db2.gz	XUGQZWCODUZAGF-UHFFFAOYSA-N	1	0	358.442	1.881	20	30		FDEDRO
C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)NCc1ccc(C#N)cn1	ZINC000922103656	872030165	/nfs/dbraw/zinc/03/01/65/872030165.db2.gz	KBSDSILBGNRPIE-QGZVFWFLSA-N	1	0	357.458	1.738	20	30		FDEDRO
C#CC[C@H](CO)[NH2+][C@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000922140364	872390869	/nfs/dbraw/zinc/39/08/69/872390869.db2.gz	HHWUFDUJSMLISN-JKSUJKDBSA-N	1	0	352.475	1.909	20	30		FDEDRO
C#CCN(C(=O)NCCc1cc(OC)ccc1OC)C1CC[NH+](C)CC1	ZINC000914332184	872399535	/nfs/dbraw/zinc/39/95/35/872399535.db2.gz	NRBZCZUUHTWPBU-UHFFFAOYSA-N	1	0	359.470	1.985	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)C1	ZINC001033496850	882625960	/nfs/dbraw/zinc/62/59/60/882625960.db2.gz	HVRKUBNQAOWTKW-LNLFQRSKSA-N	1	0	359.470	1.399	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)COCc2ccc(OC)cc2)[C@H](OC)C1	ZINC001212501048	872684140	/nfs/dbraw/zinc/68/41/40/872684140.db2.gz	XUISQDHTASXFKQ-RTBURBONSA-N	1	0	362.470	1.993	20	30		FDEDRO
CC(C)N1CC[C@H](NC(=O)Cn2cnc(C#N)n2)[C@@H]1c1ccc(F)c(F)c1	ZINC000494092104	872809362	/nfs/dbraw/zinc/80/93/62/872809362.db2.gz	JBKSOMNTWMMEHN-YJBOKZPZSA-N	1	0	374.395	1.768	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1C[NH+](C)C)C2	ZINC001003242610	872859478	/nfs/dbraw/zinc/85/94/78/872859478.db2.gz	YROJWZNZAZXCPT-MYPMTAMASA-N	1	0	360.483	1.831	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2sc(C)cc2C)C[C@H]1C	ZINC001106182168	873026764	/nfs/dbraw/zinc/02/67/64/873026764.db2.gz	IYFGRXUWFOKYTM-VNQPRFMTSA-N	1	0	361.511	1.801	20	30		FDEDRO
C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1CN(C(=O)CC[NH+]1CCCCC1)C2	ZINC000992889657	873086780	/nfs/dbraw/zinc/08/67/80/873086780.db2.gz	HGMVVRVMGOVEDV-GHTZIAJQSA-N	1	0	357.498	1.583	20	30		FDEDRO
C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)[C@@H]3CCO[C@H]3C3CC3)CC2)C1=O	ZINC001003349885	873176684	/nfs/dbraw/zinc/17/66/84/873176684.db2.gz	ATIPMTNTHYNMNT-KURKYZTESA-N	1	0	361.486	1.169	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(C#N)[nH]1	ZINC001003356084	873191021	/nfs/dbraw/zinc/19/10/21/873191021.db2.gz	NLAAFEZYSIOWLI-BGTYHANMSA-N	1	0	369.469	1.622	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CCCCO2)CC1	ZINC001003362899	873215918	/nfs/dbraw/zinc/21/59/18/873215918.db2.gz	HLQYIZDWLIJERK-YRXWBPOGSA-N	1	0	373.497	1.149	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(C)co2)CC1	ZINC001003362973	873216064	/nfs/dbraw/zinc/21/60/64/873216064.db2.gz	JMMAPYAMNFLZOQ-KURKYZTESA-N	1	0	369.465	1.795	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CCCOC2)CC1	ZINC001003363729	873219032	/nfs/dbraw/zinc/21/90/32/873219032.db2.gz	SUXNPLYBCAORJK-MANSERQUSA-N	1	0	373.497	1.006	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cc(C)nn2C)[C@H](C)C1	ZINC001106191458	873249714	/nfs/dbraw/zinc/24/97/14/873249714.db2.gz	DPUWNMRGZPGLQW-GDBMZVCRSA-N	1	0	361.490	1.707	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1	ZINC001003393546	873271607	/nfs/dbraw/zinc/27/16/07/873271607.db2.gz	MGCUMDAOVNTXMQ-SJORKVTESA-N	1	0	354.410	1.114	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)o2)[C@H](C)C1)OCC	ZINC001106197130	873445553	/nfs/dbraw/zinc/44/55/53/873445553.db2.gz	HRXPCXFTOCLWIG-FVQBIDKESA-N	1	0	350.463	1.933	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(Cc3cccc(C#N)c3)C[C@@H]2O)C1	ZINC001083718957	873503025	/nfs/dbraw/zinc/50/30/25/873503025.db2.gz	IGOAWNFDPPSYOL-AQNXPRMDSA-N	1	0	370.497	1.342	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)C#CC4CC4)C[C@@]3(C)C2)CC1	ZINC000993021298	873724600	/nfs/dbraw/zinc/72/46/00/873724600.db2.gz	UHLIPBVJAMTDDV-KNQAVFIVSA-N	1	0	367.493	1.052	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)[C@H]4CC45CC5)C[C@@]3(C)C2)CC1	ZINC000993021440	873726008	/nfs/dbraw/zinc/72/60/08/873726008.db2.gz	VEKUFSLBLGICHL-WAOWUJCRSA-N	1	0	369.509	1.439	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCC(C)C)C1	ZINC001112349136	873950497	/nfs/dbraw/zinc/95/04/97/873950497.db2.gz	RYQSWPHUDGJLLB-HBFSDRIKSA-N	1	0	350.503	1.916	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3nnc(C)n3CC)[C@H](C)C2)CCC1	ZINC001106236215	874061971	/nfs/dbraw/zinc/06/19/71/874061971.db2.gz	GMWPXHFTVJVSBJ-NVXWUHKLSA-N	1	0	357.502	1.984	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC[NH+](C)CC2)C3)cn1	ZINC001003745600	874153039	/nfs/dbraw/zinc/15/30/39/874153039.db2.gz	LYGPDPTYCYFASX-QRVBRYPASA-N	1	0	366.465	1.266	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nccc3ccsc32)C[C@H]1C	ZINC001106274654	874337799	/nfs/dbraw/zinc/33/77/99/874337799.db2.gz	PIPNIJYPCLHVHU-UKRRQHHQSA-N	1	0	370.478	1.343	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccsn2)C[C@H]1C	ZINC001106301810	874614571	/nfs/dbraw/zinc/61/45/71/874614571.db2.gz	YSNYJASLORBMKS-ZIAGYGMSSA-N	1	0	363.487	1.203	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(CC)n[nH]2)[C@@H](n2ccnn2)C1	ZINC001128724188	882864275	/nfs/dbraw/zinc/86/42/75/882864275.db2.gz	UKJTUQXERUMMSE-XKQJLSEDSA-N	1	0	357.462	1.574	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C2)cc1	ZINC001106331427	874804984	/nfs/dbraw/zinc/80/49/84/874804984.db2.gz	YXFDPTYYQFQMLR-NVXWUHKLSA-N	1	0	359.470	1.637	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)C2(NC(C)=O)CCCCC2)C[C@H]1C	ZINC001106335255	874809039	/nfs/dbraw/zinc/80/90/39/874809039.db2.gz	QUJOBVLEFQNMKE-SJLPKXTDSA-N	1	0	363.502	1.159	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc3ncn(C)c32)C[C@H]1C	ZINC001106336951	874826615	/nfs/dbraw/zinc/82/66/15/874826615.db2.gz	NAFHHJJGIWHVTI-HZPDHXFCSA-N	1	0	354.454	1.521	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccncc2)C[C@H]1C	ZINC001106368567	874952099	/nfs/dbraw/zinc/95/20/99/874952099.db2.gz	XRASTEGPUSQHRU-NVXWUHKLSA-N	1	0	367.453	1.419	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2c(C)nn(C)c2Cl)C[C@H]1C	ZINC001106376539	874971286	/nfs/dbraw/zinc/97/12/86/874971286.db2.gz	DCLOSFWPWFDLER-UKRRQHHQSA-N	1	0	366.893	1.258	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(CC)s2)C[C@H]1C	ZINC001106389760	875046287	/nfs/dbraw/zinc/04/62/87/875046287.db2.gz	VTFXIUFPSAGVFI-RBSFLKMASA-N	1	0	361.511	1.746	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(COC)o2)C[C@H]1C	ZINC001106399891	875094312	/nfs/dbraw/zinc/09/43/12/875094312.db2.gz	XKKQIDNAGMHFRA-QLFBSQMISA-N	1	0	363.458	1.414	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2cc(OC)n(C)n2)C[C@H]1C	ZINC001106405381	875143788	/nfs/dbraw/zinc/14/37/88/875143788.db2.gz	XWGJRFVEWPXPNU-ZYHUDNBSSA-N	1	0	371.279	1.635	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C(C)(C)C)on2)C[C@H]1C	ZINC001106412332	875160099	/nfs/dbraw/zinc/16/00/99/875160099.db2.gz	MIRKFEMFJFPJGT-ZIAGYGMSSA-N	1	0	362.474	1.572	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCc2ccc(OC)nc2)C[C@H]1C	ZINC001106409382	875171962	/nfs/dbraw/zinc/17/19/62/875171962.db2.gz	KOSWRRBNAQMBCL-SJLPKXTDSA-N	1	0	359.470	1.357	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccn3ccnc3c2)C[C@H]1C	ZINC001106419322	875203730	/nfs/dbraw/zinc/20/37/30/875203730.db2.gz	FSUZTGILQDFHQC-BFYDXBDKSA-N	1	0	369.469	1.323	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)CN2CCCCS2(=O)=O)C[C@H]1C	ZINC001106433140	875295650	/nfs/dbraw/zinc/29/56/50/875295650.db2.gz	BURDRSJMINRQKS-HZPDHXFCSA-N	1	0	357.520	1.062	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3c2O[C@@H](C)C3)C[C@H]1C	ZINC001106444554	875327071	/nfs/dbraw/zinc/32/70/71/875327071.db2.gz	NFZWEWBBVFLCIT-HLLBOEOZSA-N	1	0	369.465	1.057	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)nc2C)C[C@H]1C	ZINC001106455183	875397886	/nfs/dbraw/zinc/39/78/86/875397886.db2.gz	DQAHCPDFRMVJBU-RHSMWYFYSA-N	1	0	356.470	1.054	20	30		FDEDRO
Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)c(C2CC2)n1	ZINC001106488246	875654695	/nfs/dbraw/zinc/65/46/95/875654695.db2.gz	KRQSTRPWDLDJJV-CZUORRHYSA-N	1	0	369.469	1.205	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc3ccccc3[nH]c2=O)C[C@H]1C	ZINC001106499169	875718444	/nfs/dbraw/zinc/71/84/44/875718444.db2.gz	DARSZRZOVITVAT-NVXWUHKLSA-N	1	0	367.449	1.888	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3ccsc3[nH]2)C[C@H]1C	ZINC001106500314	875719595	/nfs/dbraw/zinc/71/95/95/875719595.db2.gz	YROKBMGQPIGPRB-TZMCWYRMSA-N	1	0	358.467	1.277	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cnc3c(c2)c(C)nn3C)C[C@H]1C	ZINC001106502216	875730725	/nfs/dbraw/zinc/73/07/25/875730725.db2.gz	WFSZQCBRMMWJQB-RHSMWYFYSA-N	1	0	371.485	1.777	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)C[C@H]1C	ZINC001106498560	875733568	/nfs/dbraw/zinc/73/35/68/875733568.db2.gz	DBDICLQAZPIMIB-ZWNOBZJWSA-N	1	0	368.865	1.565	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2c(C)c(C)nn(C)c2=O)C[C@H]1C	ZINC001106508450	875762919	/nfs/dbraw/zinc/76/29/19/875762919.db2.gz	JVIXFJPTUVEHLE-QMTHXVAHSA-N	1	0	352.866	1.447	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1	ZINC000915220832	875764762	/nfs/dbraw/zinc/76/47/62/875764762.db2.gz	FHUNXRAEGQDADS-GOSISDBHSA-N	1	0	359.470	1.591	20	30		FDEDRO
COc1ccccc1[C@@H](O)C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000915225912	875792435	/nfs/dbraw/zinc/79/24/35/875792435.db2.gz	GFBHCKFIPPPKPY-APWZRJJASA-N	1	0	356.422	1.824	20	30		FDEDRO
CCC[C@@H](OC)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CCC#N)[C@H](C)C1	ZINC001106518943	875816835	/nfs/dbraw/zinc/81/68/35/875816835.db2.gz	TYMMSVZCXOJXRI-BRWVUGGUSA-N	1	0	366.506	1.248	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC3(CC2)C[C@H](O)CCO3)CC1	ZINC000917097969	882967045	/nfs/dbraw/zinc/96/70/45/882967045.db2.gz	OQBFKIOHGUKFPT-QGZVFWFLSA-N	1	0	351.491	1.742	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCO[C@H](C)C2)[C@H](C)C1	ZINC001106528568	875849014	/nfs/dbraw/zinc/84/90/14/875849014.db2.gz	FAYJHLLJQWKGTE-BZUAXINKSA-N	1	0	351.491	1.130	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2CCC)[C@H](C)C1	ZINC001106533914	875887909	/nfs/dbraw/zinc/88/79/09/875887909.db2.gz	RJTWZTPLJYPIGV-IAGOWNOFSA-N	1	0	360.506	1.851	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCOCC2)[C@H](C)C1	ZINC001106558177	875950651	/nfs/dbraw/zinc/95/06/51/875950651.db2.gz	RPJBPRDGVWKGPB-BRWVUGGUSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCOCC2)[C@H](C)C1	ZINC001106563842	875962907	/nfs/dbraw/zinc/96/29/07/875962907.db2.gz	LZBZFHAUQYPQEE-IXDOHACOSA-N	1	0	365.518	1.568	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccn(C(C)C)c2C)C[C@H]1C	ZINC001106566744	875974241	/nfs/dbraw/zinc/97/42/41/875974241.db2.gz	KOTZENPRJFEWMS-NVXWUHKLSA-N	1	0	358.486	1.425	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc[nH]c2CCC)C[C@H]1C	ZINC001106569725	875982957	/nfs/dbraw/zinc/98/29/57/875982957.db2.gz	KVMPEINVJAHWPZ-BZUAXINKSA-N	1	0	358.486	1.403	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCNS(C)(=O)=O)C1	ZINC001112377403	876031969	/nfs/dbraw/zinc/03/19/69/876031969.db2.gz	MCTYLFZCTNZQJD-RDJZCZTQSA-N	1	0	357.520	1.110	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2Cc3ccc(F)cc32)C[C@H]1C	ZINC001106585252	876045114	/nfs/dbraw/zinc/04/51/14/876045114.db2.gz	WTKOSSCREQEZOG-DDUZABMNSA-N	1	0	359.445	1.452	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2cc(C)cc(C)c2)C[C@H]1C	ZINC001106616954	876229430	/nfs/dbraw/zinc/22/94/30/876229430.db2.gz	FBLWVAHLIMPYRH-IEBWSBKVSA-N	1	0	357.498	1.832	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C2)CC1	ZINC001106628999	876274738	/nfs/dbraw/zinc/27/47/38/876274738.db2.gz	AEYIZIBXVGVREA-HZPDHXFCSA-N	1	0	356.532	1.852	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H](C[NH2+]CCNS(=O)(=O)CC)[C@H](C)C2)CC1	ZINC001106629250	876277394	/nfs/dbraw/zinc/27/73/94/876277394.db2.gz	HOMNGWVHEJUDJO-HZPDHXFCSA-N	1	0	371.547	1.356	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)[C@H](C)C2)CCC1	ZINC001106635925	876318864	/nfs/dbraw/zinc/31/88/64/876318864.db2.gz	KQFYXDVVVQMRGX-HZPDHXFCSA-N	1	0	371.547	1.308	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCOCC3)[C@H](C)C2)CCC1	ZINC001106636088	876319275	/nfs/dbraw/zinc/31/92/75/876319275.db2.gz	SNEQYLSXICKWFD-IAGOWNOFSA-N	1	0	363.502	1.276	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(=O)cc2C)C[C@H]1C	ZINC001106655997	876421222	/nfs/dbraw/zinc/42/12/22/876421222.db2.gz	KTHVKRSHSBPEQT-QLFBSQMISA-N	1	0	360.458	1.084	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCC(F)(F)F)C[C@H]1C	ZINC001106694602	876578537	/nfs/dbraw/zinc/57/85/37/876578537.db2.gz	TWVUGHDRGYLLQC-MGPQQGTHSA-N	1	0	361.408	1.541	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3c2OCC3)C[C@H]1C	ZINC001106689527	876579496	/nfs/dbraw/zinc/57/94/96/876579496.db2.gz	GLMRYFJRTOFABR-GDBMZVCRSA-N	1	0	357.454	1.221	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cnc3ccccc3c2)C[C@H]1C	ZINC001106701984	876612685	/nfs/dbraw/zinc/61/26/85/876612685.db2.gz	PQAJPUQPFHHLHI-CRAIPNDOSA-N	1	0	366.465	1.835	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CN2c3ccccc3CC2=O)C[C@H]1C	ZINC001106701670	876617255	/nfs/dbraw/zinc/61/72/55/876617255.db2.gz	FYVCPKWZWYHUKZ-SJLPKXTDSA-N	1	0	371.481	1.462	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)[C@@H](F)CC)C[C@]3(C)C2)CC1	ZINC000993266755	876778513	/nfs/dbraw/zinc/77/85/13/876778513.db2.gz	MIYZOYMREMXAMX-UWVAXJGDSA-N	1	0	363.477	1.387	20	30		FDEDRO
Cc1ccc([C@](O)(CC(=O)NC2(C#N)CC[NH+](C)CC2)C(F)(F)F)o1	ZINC000917126239	883069423	/nfs/dbraw/zinc/06/94/23/883069423.db2.gz	RWZMUNVYABVDSN-OAHLLOKOSA-N	1	0	359.348	1.832	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cnn3cc(C)cnc23)C[C@H]1C	ZINC001106715056	876930792	/nfs/dbraw/zinc/93/07/92/876930792.db2.gz	LADVHBHSFLGFTJ-HZPDHXFCSA-N	1	0	357.458	1.538	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnn(-c3ccccn3)c2)C[C@H]1C	ZINC001106720771	876958114	/nfs/dbraw/zinc/95/81/14/876958114.db2.gz	FLPLZWQYFIFTMT-IAGOWNOFSA-N	1	0	367.453	1.215	20	30		FDEDRO
CC(C)[C@@H]1C[N@H+](C)CCN1CN1CC(=O)N(Cc2ccccc2C#N)C1=O	ZINC000153628210	876974936	/nfs/dbraw/zinc/97/49/36/876974936.db2.gz	RHOOHFKABKBKFK-SFHVURJKSA-N	1	0	369.469	1.552	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C)c(OCC)c2)C[C@H]1C	ZINC001106724052	876979998	/nfs/dbraw/zinc/97/99/98/876979998.db2.gz	ZSAQGBAZAWHQRH-SJLPKXTDSA-N	1	0	371.481	1.441	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2nonc2C)[C@H](C)C1	ZINC001106733566	877273028	/nfs/dbraw/zinc/27/30/28/877273028.db2.gz	ZZCBINCXRNGOPP-DAXOMENPSA-N	1	0	363.462	1.033	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3ncc4cccnc43)[C@H]2C1	ZINC001083147343	912222273	/nfs/dbraw/zinc/22/22/73/912222273.db2.gz	FMDWCNLUODUIJW-DLBZAZTESA-N	1	0	355.442	1.309	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(C#N)c[nH]1	ZINC001003866425	877399463	/nfs/dbraw/zinc/39/94/63/877399463.db2.gz	YWOIHBSXVXGEEI-JHNDHUHGSA-N	1	0	355.442	1.232	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccc(NC(=O)N(C)C)cc2)CC1	ZINC000922297712	877401884	/nfs/dbraw/zinc/40/18/84/877401884.db2.gz	BNTAULDMWGUAET-UHFFFAOYSA-N	1	0	357.458	1.677	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NC3CC3)[C@H](C)C2)cc1	ZINC001106740570	877406083	/nfs/dbraw/zinc/40/60/83/877406083.db2.gz	VUGIDAOASANZBY-NVXWUHKLSA-N	1	0	369.465	1.275	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C)(C)C2CCCCC2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106745387	877454644	/nfs/dbraw/zinc/45/46/44/877454644.db2.gz	JGOIAAJKVACWEE-HZPDHXFCSA-N	1	0	362.518	1.917	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCC)[C@H](C)C1	ZINC001106749111	877466910	/nfs/dbraw/zinc/46/69/10/877466910.db2.gz	WSWVSBMGJLHKFB-VXNCWWDNSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCC)[C@H](C)C1	ZINC001106752986	877525409	/nfs/dbraw/zinc/52/54/09/877525409.db2.gz	YABRCXILOFIGDG-CBZIJGRNSA-N	1	0	351.491	1.178	20	30		FDEDRO
CNC(=O)C1(C(=O)N2C[C@@H](C[NH2+]Cc3ccccc3C#N)[C@H](C)C2)CC1	ZINC001106760158	877608991	/nfs/dbraw/zinc/60/89/91/877608991.db2.gz	SCBDITJBOTYAOO-RHSMWYFYSA-N	1	0	354.454	1.269	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)c2c(C)n[nH]c2C)C[C@H]1C	ZINC001106771898	877714476	/nfs/dbraw/zinc/71/44/76/877714476.db2.gz	DXKMYQXXSHAAJH-DVOMOZLQSA-N	1	0	361.490	1.116	20	30		FDEDRO
C=CCc1cc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)cc(OC)c1OC	ZINC000673515045	877757203	/nfs/dbraw/zinc/75/72/03/877757203.db2.gz	ASJKVQNIRIJNSQ-SJORKVTESA-N	1	0	360.454	1.713	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnn(-c3ccncc3)c2)C[C@H]1C	ZINC001106804251	878051153	/nfs/dbraw/zinc/05/11/53/878051153.db2.gz	JGNXRRRFQXRXLK-IAGOWNOFSA-N	1	0	367.453	1.215	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2cn(C[C@H]3CCOC3)nn2)C[C@H]1C	ZINC001106815957	878244708	/nfs/dbraw/zinc/24/47/08/878244708.db2.gz	RLQNSCRBBPUSHJ-BRWVUGGUSA-N	1	0	361.490	1.579	20	30		FDEDRO
C=C(C)COc1cc(C[NH2+]C[C@@]2(CO)COCCN2C)ccc1OC	ZINC000922535384	878476044	/nfs/dbraw/zinc/47/60/44/878476044.db2.gz	GIPMHDOVDGFVTJ-LJQANCHMSA-N	1	0	350.459	1.433	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCc2cnn(CC)c2)C1	ZINC001033086449	878821312	/nfs/dbraw/zinc/82/13/12/878821312.db2.gz	IKVSDXBNDVFNQP-OTWHNJEPSA-N	1	0	360.502	1.959	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N[C@H]1C[C@@H](OC(C)(C)C)C12CCOCC2	ZINC000922628950	878850715	/nfs/dbraw/zinc/85/07/15/878850715.db2.gz	HXOYKLWATYHEPA-DLBZAZTESA-N	1	0	365.518	1.994	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C#N)ccc1OCC	ZINC000508976840	878866405	/nfs/dbraw/zinc/86/64/05/878866405.db2.gz	JGNQGBAKHDNDOO-HNNXBMFYSA-N	1	0	358.442	1.886	20	30		FDEDRO
C#CCN(C(=O)NCCc1cnc2c(Cl)cnn2c1)C1CC[NH+](C)CC1	ZINC000922652833	878918014	/nfs/dbraw/zinc/91/80/14/878918014.db2.gz	PYPXFRUMYDFDOC-UHFFFAOYSA-N	1	0	374.876	1.664	20	30		FDEDRO
C#CCN(C(=O)NC1CCC(CS(C)(=O)=O)CC1)C1CC[NH+](C)CC1	ZINC000922657261	878941630	/nfs/dbraw/zinc/94/16/30/878941630.db2.gz	WPSJQHMDOKBSKX-UHFFFAOYSA-N	1	0	369.531	1.329	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c[nH]nc2C2CC2)C[C@H]1C	ZINC001106827664	879095485	/nfs/dbraw/zinc/09/54/85/879095485.db2.gz	KPIJRRNKTWKURV-VNHYZAJKSA-N	1	0	359.474	1.276	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCO[C@@H]3C[N@@H+](CCc4ccnn4C)C[C@@H]32)cc1	ZINC001083160416	912418522	/nfs/dbraw/zinc/41/85/22/912418522.db2.gz	YBTUUFIUYLUPSB-VQTJNVASSA-N	1	0	364.449	1.169	20	30		FDEDRO
C=CCn1cccc1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2	ZINC001004361824	879231127	/nfs/dbraw/zinc/23/11/27/879231127.db2.gz	RTWTZSWYFSIFNO-TVFCKZIOSA-N	1	0	370.497	1.878	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)[C@@H]3CC=CCC3)[C@H](C)C2)CC1	ZINC000993737199	879368144	/nfs/dbraw/zinc/36/81/44/879368144.db2.gz	UGQLQCQAKUDCOF-QWFCFKBJSA-N	1	0	371.525	1.899	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@H]2OC)C1	ZINC000946618027	879697568	/nfs/dbraw/zinc/69/75/68/879697568.db2.gz	OLSOOWJSCSPHOG-MWDXBVQZSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1	ZINC001004533071	879803260	/nfs/dbraw/zinc/80/32/60/879803260.db2.gz	GMKXTJROEGGHCU-SQNIBIBYSA-N	1	0	363.502	1.273	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2nc3ccccn3c2F)C[C@H]1C	ZINC001106834589	879922891	/nfs/dbraw/zinc/92/28/91/879922891.db2.gz	FXCDZHYDVPAQLU-HUUCEWRRSA-N	1	0	358.417	1.421	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3cc(C)ccc3C)C[C@@H]2O)nn1	ZINC001083843297	879972746	/nfs/dbraw/zinc/97/27/46/879972746.db2.gz	AMVWPTLOVRBOAH-SUMDDJOVSA-N	1	0	369.469	1.617	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC000993910514	880119800	/nfs/dbraw/zinc/11/98/00/880119800.db2.gz	ZLIZPPMPFVCCMY-SXGZJXTBSA-N	1	0	369.469	1.197	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3nc(C)[nH]c32)C[C@H]1C	ZINC001106838134	880226921	/nfs/dbraw/zinc/22/69/21/880226921.db2.gz	NLCCHJUUZVDGKQ-UKRRQHHQSA-N	1	0	369.469	1.471	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3ccncc3c2)C[C@H]1C	ZINC001106838146	880228230	/nfs/dbraw/zinc/22/82/30/880228230.db2.gz	OGRBDDMOBUJQFJ-DNVCBOLYSA-N	1	0	364.449	1.282	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C	ZINC000993999946	880358736	/nfs/dbraw/zinc/35/87/36/880358736.db2.gz	QESSKJUKHZODEU-BHIYHBOVSA-N	1	0	359.514	1.873	20	30		FDEDRO
COC(=O)c1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[nH]1	ZINC000272708478	880465108	/nfs/dbraw/zinc/46/51/08/880465108.db2.gz	AHRBQPNKAHHIDY-MRXNPFEDSA-N	1	0	352.394	1.958	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)C3=CCCC3)C[C@H]2C)CC1	ZINC000994135600	880893165	/nfs/dbraw/zinc/89/31/65/880893165.db2.gz	IRTSYPXAFAAWOO-VQIMIIECSA-N	1	0	357.498	1.653	20	30		FDEDRO
C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH2+]CC#Cc3ccccc3)[C@H](C)C2)C1	ZINC001106855193	881106788	/nfs/dbraw/zinc/10/67/88/881106788.db2.gz	WSIHOVCGZMXRQT-NLWGTHIKSA-N	1	0	367.493	1.591	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CCCOC2CCOCC2)C[C@H]1C	ZINC001106858272	881136870	/nfs/dbraw/zinc/13/68/70/881136870.db2.gz	CZUVGUSYQORWLX-QZTJIDSGSA-N	1	0	368.518	1.849	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCCOC2CCOCC2)C[C@H]1C	ZINC001106860768	881174084	/nfs/dbraw/zinc/17/40/84/881174084.db2.gz	QALAEKKEVAQOMY-QZTJIDSGSA-N	1	0	366.502	1.296	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCCn2nc(C)nc2C)C[C@H]1C	ZINC001106860185	881178127	/nfs/dbraw/zinc/17/81/27/881178127.db2.gz	MVORENVYUVLSFP-CRAIPNDOSA-N	1	0	361.490	1.009	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CCCC[N@H+]2C)nc1	ZINC001004741800	881186316	/nfs/dbraw/zinc/18/63/16/881186316.db2.gz	GGYKFRLQHXOAHY-OQIJWPOYSA-N	1	0	366.465	1.409	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000916049796	881316368	/nfs/dbraw/zinc/31/63/68/881316368.db2.gz	IGXOENQHKJVDNA-GDBMZVCRSA-N	1	0	362.449	1.322	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@@H](C)C(N)=O)C2)cc1	ZINC001112542871	883186160	/nfs/dbraw/zinc/18/61/60/883186160.db2.gz	WFSPTVILFMKEGZ-WJPUGNRLSA-N	1	0	369.465	1.404	20	30		FDEDRO
C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1	ZINC000999400813	912687797	/nfs/dbraw/zinc/68/77/97/912687797.db2.gz	MWNSZZYHBKXICH-SSHXOBKSSA-N	1	0	369.893	1.488	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc3ccccc3n2)C[C@H]1C	ZINC001106888746	883421854	/nfs/dbraw/zinc/42/18/54/883421854.db2.gz	WVQQBSFHLXMISU-NVXWUHKLSA-N	1	0	369.469	1.023	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1	ZINC001033903983	883428623	/nfs/dbraw/zinc/42/86/23/883428623.db2.gz	NGOWVDDNKFNPHU-OTWHNJEPSA-N	1	0	365.518	1.365	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCCNc2ccnc(C#N)n2)CC[N@@H+]1C	ZINC001090164315	883539695	/nfs/dbraw/zinc/53/96/95/883539695.db2.gz	TYUSUQXCUVBCFY-HRCADAONSA-N	1	0	358.490	1.587	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@@H]1n1ccnn1	ZINC001128785260	883604256	/nfs/dbraw/zinc/60/42/56/883604256.db2.gz	LKTRTKKHEFFYLH-JQHSSLGASA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1	ZINC000917652968	883655650	/nfs/dbraw/zinc/65/56/50/883655650.db2.gz	FCUIWRJDBQLWFA-HOTGVXAUSA-N	1	0	363.483	1.508	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)COC)[C@@H](n2ccnn2)C1	ZINC001128806684	883687172	/nfs/dbraw/zinc/68/71/72/883687172.db2.gz	BWPHCAPZMQLTIJ-ZACQAIPSSA-N	1	0	351.495	1.873	20	30		FDEDRO
Cc1cccc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@H](C)C#N)[C@@H](n2ccnn2)C1	ZINC001128829117	883751011	/nfs/dbraw/zinc/75/10/11/883751011.db2.gz	BRDKJVCJKUXMNX-NXHRZFHOSA-N	1	0	352.442	1.596	20	30		FDEDRO
CCc1ccccc1CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C#N)[C@@H](n2ccnn2)C1	ZINC001128830790	883757842	/nfs/dbraw/zinc/75/78/42/883757842.db2.gz	YEGRLWHUNROPRH-IPELMVKDSA-N	1	0	366.469	1.584	20	30		FDEDRO
N#Cc1cccc(C2(NC(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)CC2)c1	ZINC000497841323	883767322	/nfs/dbraw/zinc/76/73/22/883767322.db2.gz	FAWIOUOLKBXTPO-MRXNPFEDSA-N	1	0	369.469	1.434	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CCN(c2ccccc2)C1=O)C1CC[NH+](C)CC1	ZINC000917796593	883790285	/nfs/dbraw/zinc/79/02/85/883790285.db2.gz	WGLNOZDBBFTESP-SFHVURJKSA-N	1	0	354.454	1.531	20	30		FDEDRO
C#CCN(C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[C@H]1CCCc2ccccc21	ZINC000917972170	883969286	/nfs/dbraw/zinc/96/92/86/883969286.db2.gz	MDPSWZZWGGPHSX-QUCCMNQESA-N	1	0	354.498	1.955	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2cccc(C#N)c2)C1	ZINC001034257363	884009985	/nfs/dbraw/zinc/00/99/85/884009985.db2.gz	WUNZWQUNWSPGHY-SNRMKQJTSA-N	1	0	357.454	1.833	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ncccc2O)[C@@H](n2ccnn2)C1	ZINC001128914431	884103145	/nfs/dbraw/zinc/10/31/45/884103145.db2.gz	XVBCTFFIDDVBRC-ZNMIVQPWSA-N	1	0	356.430	1.389	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]2C)c1	ZINC000994566942	884299025	/nfs/dbraw/zinc/29/90/25/884299025.db2.gz	AXYHODVAMQEEJH-ZMYBRWDISA-N	1	0	368.481	1.227	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](CCc2ccc(C)cc2)C[C@@H]1O	ZINC001083999375	912814753	/nfs/dbraw/zinc/81/47/53/912814753.db2.gz	MSGGRCFYDXMOMF-YADHBBJMSA-N	1	0	362.473	1.923	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(c3ncc(C#N)cc3Cl)C2)CC[N@@H+]1C	ZINC001061757842	884459906	/nfs/dbraw/zinc/45/99/06/884459906.db2.gz	PFDCNHLUODWLDB-UMVBOHGHSA-N	1	0	361.877	1.889	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](O)C(C)C)[C@@H](n2ccnn2)C1	ZINC001128966940	884481634	/nfs/dbraw/zinc/48/16/34/884481634.db2.gz	UFNXKTBDITVTNK-IXDOHACOSA-N	1	0	351.495	1.607	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C)C[C@@H]1n1ccnn1	ZINC001128979973	884566447	/nfs/dbraw/zinc/56/64/47/884566447.db2.gz	IEGKOYFGKURPLE-QRQLOZEOSA-N	1	0	367.453	1.167	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCc2ccnn2C)CC1	ZINC001034648614	884616922	/nfs/dbraw/zinc/61/69/22/884616922.db2.gz	KMQSYWXPHYUQSR-RWQQGDIJSA-N	1	0	360.502	1.961	20	30		FDEDRO
CC1CCC(C[N@@H+]2C[C@@H](NC(=O)C#CC3CC3)[C@@H](n3ccnn3)C2)CC1	ZINC001128985868	884736136	/nfs/dbraw/zinc/73/61/36/884736136.db2.gz	WKHVHEWFIQQKBE-AWRGBYNESA-N	1	0	355.486	1.859	20	30		FDEDRO
CC#CCN1C[C@@H](NC(=O)C[C@H](OCC)C2=CCCC2)[C@@H](n2ccnn2)C1	ZINC001128985642	884741242	/nfs/dbraw/zinc/74/12/42/884741242.db2.gz	QWYZPUAFKJKVMP-QYZOEREBSA-N	1	0	371.485	1.548	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccnn2C2CCC2)[C@@H](n2ccnn2)C1	ZINC001128993616	884888814	/nfs/dbraw/zinc/88/88/14/884888814.db2.gz	HPMZYFOELYTANY-AEFFLSMTSA-N	1	0	369.473	1.821	20	30		FDEDRO
CCOC(=O)N[C@@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N)C(C)C	ZINC000918757334	884915328	/nfs/dbraw/zinc/91/53/28/884915328.db2.gz	YXCRVPIUKFOYAR-CYBMUJFWSA-N	1	0	350.423	1.143	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cn(C(C)C)nn2)CC1	ZINC001034736679	884931243	/nfs/dbraw/zinc/93/12/43/884931243.db2.gz	ISOUNWPHBDLUTP-AHCXZYCDSA-N	1	0	361.490	1.967	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cn3c(n2)CCC3)[C@@H](n2ccnn2)C1	ZINC001128999411	884952862	/nfs/dbraw/zinc/95/28/62/884952862.db2.gz	XQSAWUQMGAJHIH-ZBFHGGJFSA-N	1	0	355.446	1.042	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)Cc2ccn(CC)n2)[C@@H](n2ccnn2)C1	ZINC001129004748	884999033	/nfs/dbraw/zinc/99/90/33/884999033.db2.gz	WVCAEDWZZIBFLG-SJORKVTESA-N	1	0	357.462	1.045	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1	ZINC000498502358	885058108	/nfs/dbraw/zinc/05/81/08/885058108.db2.gz	ZYZSAGVQCOLFDF-KBRIMQKVSA-N	1	0	360.433	1.965	20	30		FDEDRO
C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C1	ZINC000918957448	885082245	/nfs/dbraw/zinc/08/22/45/885082245.db2.gz	UZXNFJDXIAKHJN-HNNXBMFYSA-N	1	0	357.863	1.289	20	30		FDEDRO
C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C1	ZINC000918957449	885083099	/nfs/dbraw/zinc/08/30/99/885083099.db2.gz	UZXNFJDXIAKHJN-OAHLLOKOSA-N	1	0	357.863	1.289	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](CCCOCC)C[C@@H]1n1ccnn1	ZINC001129014812	885131677	/nfs/dbraw/zinc/13/16/77/885131677.db2.gz	TUVATSFFUPEEFF-MSOLQXFVSA-N	1	0	361.490	1.815	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@@H]1n1ccnn1	ZINC001129014214	885140853	/nfs/dbraw/zinc/14/08/53/885140853.db2.gz	FKAMQVOTOQVSPD-ZACQAIPSSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCc1ccc(C[NH2+][C@H]2CCCNC2=O)cc1	ZINC001034818642	885170622	/nfs/dbraw/zinc/17/06/22/885170622.db2.gz	MJKJXZFHSITNLM-QYZOEREBSA-N	1	0	371.481	1.652	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ccnc(OC)n2)C1	ZINC000999539916	912910272	/nfs/dbraw/zinc/91/02/72/912910272.db2.gz	QQGOTEFHAIRDRM-GQGLESIBSA-N	1	0	360.458	1.545	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(C[NH2+][C@@H]2CCN(C)C2=O)cc1	ZINC001034826253	885229132	/nfs/dbraw/zinc/22/91/32/885229132.db2.gz	FUQLPOVKGFGAEN-OTWHNJEPSA-N	1	0	371.481	1.604	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCCc3ccc(C)cc3)C[C@@H]2O)nc1	ZINC001083968973	912915743	/nfs/dbraw/zinc/91/57/43/912915743.db2.gz	NIRXEVNJSWGYNX-RTWAWAEBSA-N	1	0	363.461	1.779	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](OC)C2CCC2)C[C@@H]1n1ccnn1	ZINC001129029868	885342158	/nfs/dbraw/zinc/34/21/58/885342158.db2.gz	NFURMKNLYBVLEF-SQNIBIBYSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cccc(CC)n2)[C@@H](n2ccnn2)C1	ZINC001129048378	885529513	/nfs/dbraw/zinc/52/95/13/885529513.db2.gz	AFXFUNXCZICFPN-MSOLQXFVSA-N	1	0	354.458	1.857	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]cn2)[C@@H](n2ccnn2)C1	ZINC001129049015	885537850	/nfs/dbraw/zinc/53/78/50/885537850.db2.gz	OINJJJPXHVRIKH-UAGQMJEPSA-N	1	0	357.462	1.330	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2(F)CCOCC2)[C@@H](n2ccnn2)C1	ZINC001129049004	885539351	/nfs/dbraw/zinc/53/93/51/885539351.db2.gz	NPFHSXRPOISLOK-OAGGEKHMSA-N	1	0	365.453	1.493	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001035053158	885559303	/nfs/dbraw/zinc/55/93/03/885559303.db2.gz	XBSRDYBSZRZNMB-KURKYZTESA-N	1	0	354.454	1.363	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)Cc2cnccc2OC)[C@@H](n2ccnn2)C1	ZINC001129064363	885650864	/nfs/dbraw/zinc/65/08/64/885650864.db2.gz	AWAZYWIWEZECLI-SJORKVTESA-N	1	0	370.457	1.232	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)c2c(C)n[nH]c2C)[C@@H](n2ccnn2)C1	ZINC001129079873	885687415	/nfs/dbraw/zinc/68/74/15/885687415.db2.gz	KQRDRRACLULUPK-XYPHTWIQSA-N	1	0	369.473	1.177	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)COC2CCCCC2)[C@@H](n2ccnn2)C1	ZINC001129084670	885711889	/nfs/dbraw/zinc/71/18/89/885711889.db2.gz	RXEBQWSLFRAZBN-MSOLQXFVSA-N	1	0	361.490	1.935	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccc(N(C)C)nc2)[C@@H](n2ccnn2)C1	ZINC001129089231	885716191	/nfs/dbraw/zinc/71/61/91/885716191.db2.gz	HELUQNDTLXEQLF-SJORKVTESA-N	1	0	369.473	1.361	20	30		FDEDRO
C=CCN1C[C@@H](NC(=O)COCc2cccc(OC)c2)[C@@H](n2ccnn2)C1	ZINC001129090422	885718156	/nfs/dbraw/zinc/71/81/56/885718156.db2.gz	XVQWYEOOHXEUAV-MSOLQXFVSA-N	1	0	371.441	1.031	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCc3cnn(C)c3)[C@H](C)C2)nc1	ZINC001106894418	885751400	/nfs/dbraw/zinc/75/14/00/885751400.db2.gz	KOYGLMOFUOCNNQ-CRAIPNDOSA-N	1	0	351.454	1.337	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](CCCC)C(N)=O)[C@H](C)C2)nc1	ZINC001106894493	885754630	/nfs/dbraw/zinc/75/46/30/885754630.db2.gz	OHYXGOWDDMOWRH-OIISXLGYSA-N	1	0	356.470	1.405	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](CC(=O)N(C)C)C2)CC1	ZINC001035236677	885798726	/nfs/dbraw/zinc/79/87/26/885798726.db2.gz	BAYUQAQXACPRFW-WMZOPIPTSA-N	1	0	363.502	1.370	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)NCC=C)[C@H](C)C2)nc1	ZINC001106894895	885813074	/nfs/dbraw/zinc/81/30/74/885813074.db2.gz	YGVQKTWMOGZYBR-HLLBOEOZSA-N	1	0	354.454	1.051	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1n1ccnn1	ZINC001129147708	885876300	/nfs/dbraw/zinc/87/63/00/885876300.db2.gz	MLHRIYWTOPRVPR-BBWFWOEESA-N	1	0	361.490	1.649	20	30		FDEDRO
C=C(C)CN1CCO[C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1	ZINC001035369888	885922680	/nfs/dbraw/zinc/92/26/80/885922680.db2.gz	BXSVLXBOLCWPQC-QRVBRYPASA-N	1	0	365.518	1.126	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1n1ccnn1	ZINC001129185692	886084036	/nfs/dbraw/zinc/08/40/36/886084036.db2.gz	RGHXFKKLQZRHIZ-NXHRZFHOSA-N	1	0	361.490	1.791	20	30		FDEDRO
C[C@@H](Nc1ccnc(C#N)n1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001061889393	886221469	/nfs/dbraw/zinc/22/14/69/886221469.db2.gz	DJFNOGNHRAAQBM-IIAWOOMASA-N	1	0	356.474	1.149	20	30		FDEDRO
C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCO[C@H]1c1cnn(C)c1)CC2	ZINC001035724270	886375065	/nfs/dbraw/zinc/37/50/65/886375065.db2.gz	AMYWTCOKBQMVGC-MSOLQXFVSA-N	1	0	358.486	1.998	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](OCC)C2CC2)C[C@@H]1n1ccnn1	ZINC001129210927	886570093	/nfs/dbraw/zinc/57/00/93/886570093.db2.gz	YYUTUBDTNXMZDZ-SQNIBIBYSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)Cc2cccc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129215019	886603283	/nfs/dbraw/zinc/60/32/83/886603283.db2.gz	SYFXFNVTSGCZQC-MOPGFXCFSA-N	1	0	369.469	1.373	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C)cc2OC)C[C@H]1C	ZINC001106898276	886627239	/nfs/dbraw/zinc/62/72/39/886627239.db2.gz	BNBHQESIVSZKOG-BRWVUGGUSA-N	1	0	371.481	1.439	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1n1ccnn1	ZINC001129238928	886748269	/nfs/dbraw/zinc/74/82/69/886748269.db2.gz	LTVTVLWKQJMSPZ-AOIWGVFYSA-N	1	0	361.490	1.649	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1n1ccnn1	ZINC001129239688	886752063	/nfs/dbraw/zinc/75/20/63/886752063.db2.gz	WDFITTYLHUYVIK-AOIWGVFYSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3nc[nH]c32)[C@@H](n2ccnn2)C1	ZINC001129248952	886823259	/nfs/dbraw/zinc/82/32/59/886823259.db2.gz	SLOSCGLJDJGENG-UAGQMJEPSA-N	1	0	369.473	1.429	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC(CN(C)c3cnc(C#N)cn3)CC2)CC[N@@H+]1C	ZINC001062234692	886990614	/nfs/dbraw/zinc/99/06/14/886990614.db2.gz	IIQZSUWVWKZMAN-RHSMWYFYSA-N	1	0	356.474	1.363	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)C[NH+]1CCCC1	ZINC001062240422	886998726	/nfs/dbraw/zinc/99/87/26/886998726.db2.gz	URUVILABQDEPST-KURKYZTESA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CCCOCC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001062241636	887004954	/nfs/dbraw/zinc/00/49/54/887004954.db2.gz	ZLLUTJWJBXLJAL-BRWVUGGUSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C)O2)[C@@H](n2ccnn2)C1	ZINC001129272181	887107203	/nfs/dbraw/zinc/10/72/03/887107203.db2.gz	ZHOGHDZWDNFNTO-ZJPYXAASSA-N	1	0	361.490	1.934	20	30		FDEDRO
C=CCN(C(=O)Cc1nnc(NC)s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000376295942	887151237	/nfs/dbraw/zinc/15/12/37/887151237.db2.gz	KEJCZZGNJSZRSZ-MRXNPFEDSA-N	1	0	371.510	2.411	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)NCc1cc(C#N)ccc1F)C2	ZINC000920675495	887158497	/nfs/dbraw/zinc/15/84/97/887158497.db2.gz	SRXIXKMHWCEORL-SOAMZJECSA-N	1	0	374.460	1.976	20	30		FDEDRO
Cc1nc(C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)ccc1C#N	ZINC000195458390	887348604	/nfs/dbraw/zinc/34/86/04/887348604.db2.gz	KMYURSQCZSYTCN-HOTGVXAUSA-N	1	0	355.486	1.892	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C[NH+](CC)CC)cc1	ZINC000921079136	887428101	/nfs/dbraw/zinc/42/81/01/887428101.db2.gz	TYXKABXJMWKXQZ-CQSZACIVSA-N	1	0	351.472	1.058	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCC[C@@H](CC[NH3+])C2)n1	ZINC000415432850	887607646	/nfs/dbraw/zinc/60/76/46/887607646.db2.gz	GHSVYMVCKJFMHD-ZDUSSCGKSA-N	1	0	356.405	2.476	20	30		FDEDRO
N#Cc1cc(NC[C@@H]2CCC[N@H+]2CCCO)nc2ccc([N+](=O)[O-])cc12	ZINC000450594342	887640214	/nfs/dbraw/zinc/64/02/14/887640214.db2.gz	KLSPGICOBRXEPY-HNNXBMFYSA-N	1	0	355.398	2.273	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(NC(=O)N(C)C)c2)c1C#N	ZINC000535511573	887810699	/nfs/dbraw/zinc/81/06/99/887810699.db2.gz	SVRLEDVSWDZSJD-UHFFFAOYSA-N	1	0	369.429	1.779	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)CC1	ZINC000921432375	887981497	/nfs/dbraw/zinc/98/14/97/887981497.db2.gz	OFZIMVOKAWLXBC-OAHLLOKOSA-N	1	0	361.877	1.711	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](CC[NH+](C)C)c1cccnc1	ZINC000921479505	888051376	/nfs/dbraw/zinc/05/13/76/888051376.db2.gz	LAYOICIRTOWXGU-HOCLYGCPSA-N	1	0	353.492	1.390	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCc3ccc(F)cc32)C[C@H]1OC	ZINC001212258269	888079088	/nfs/dbraw/zinc/07/90/88/888079088.db2.gz	PVKCJTASSOBAHL-GUDVDZBRSA-N	1	0	360.429	1.668	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3cccc(-n4cccn4)c3)C[C@@H]2O)C1	ZINC001083762986	888131650	/nfs/dbraw/zinc/13/16/50/888131650.db2.gz	VIGDQQMJMNDZBS-MOPGFXCFSA-N	1	0	366.465	1.890	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCC2(F)F)C[C@H]1OC	ZINC001212262202	888152242	/nfs/dbraw/zinc/15/22/42/888152242.db2.gz	GWBBLZATQHSEQJ-ARFHVFGLSA-N	1	0	358.429	1.667	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)C[C@H]1OC	ZINC001212262243	888153780	/nfs/dbraw/zinc/15/37/80/888153780.db2.gz	INAHICDOIZHDRV-IAGOWNOFSA-N	1	0	366.408	1.980	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CCCC[N@H+]2C)c1	ZINC001005975800	888305192	/nfs/dbraw/zinc/30/51/92/888305192.db2.gz	VRCUZMLHTQVSGF-AKHDSKFASA-N	1	0	366.465	1.409	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC(C)C)C1	ZINC001111640271	888362554	/nfs/dbraw/zinc/36/25/54/888362554.db2.gz	BNONHFURIFYIOR-PXNSSMCTSA-N	1	0	363.502	1.583	20	30		FDEDRO
C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1	ZINC001005988843	888486481	/nfs/dbraw/zinc/48/64/81/888486481.db2.gz	YAKDYZSYSZHQPU-ZWKOTPCHSA-N	1	0	363.502	1.655	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2sccc2OC)C[C@H]1C	ZINC001106905799	888784929	/nfs/dbraw/zinc/78/49/29/888784929.db2.gz	IDQSYTVOOFTELV-HZSPNIEDSA-N	1	0	365.499	1.745	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)CN2CCCO[C@H](C[NH3+])C2)c(OC)c1	ZINC000923377638	889049788	/nfs/dbraw/zinc/04/97/88/889049788.db2.gz	ADSHYWNRYLVXSN-IAGOWNOFSA-N	1	0	350.459	1.213	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCO[C@H]2c2nccn2C)CC1	ZINC000923380738	889057283	/nfs/dbraw/zinc/05/72/83/889057283.db2.gz	DBKGAIHDHQXLDI-DOTOQJQBSA-N	1	0	359.474	1.285	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1OC	ZINC001212275812	889081864	/nfs/dbraw/zinc/08/18/64/889081864.db2.gz	OEIJZWMLKKXOMF-GUDVDZBRSA-N	1	0	368.518	1.991	20	30		FDEDRO
COc1ccc(C(=O)N[C@@H]2CN(Cc3ccc(OCC#N)cc3)C[C@@H]2O)o1	ZINC001083884880	889126528	/nfs/dbraw/zinc/12/65/28/889126528.db2.gz	SBQNZCGNFOJIIO-CVEARBPZSA-N	1	0	371.393	1.166	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccnn2CC(F)F)[C@H](OC)C1	ZINC001212279629	889286161	/nfs/dbraw/zinc/28/61/61/889286161.db2.gz	QGVNVUIQOZKKDB-UMVBOHGHSA-N	1	0	356.417	1.932	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CC[NH+]([C@@H](C)C(=O)N(C)C)CC1	ZINC001006108553	889408162	/nfs/dbraw/zinc/40/81/62/889408162.db2.gz	NMLMMHGQWBXYGN-SZMVWBNQSA-N	1	0	365.518	1.757	20	30		FDEDRO
NC(=NOCC(=O)NCC1CCC1)c1ccccc1C[NH+]1CCC(O)CC1	ZINC000068776723	889501971	/nfs/dbraw/zinc/50/19/71/889501971.db2.gz	DOUDFKUVNLETTP-UHFFFAOYSA-N	1	0	374.485	1.197	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccc(C)c(C)c1	ZINC001127604554	889502156	/nfs/dbraw/zinc/50/21/56/889502156.db2.gz	GPPDYBYCMCFIJP-MSOLQXFVSA-N	1	0	359.470	1.929	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)Cc1c[nH]cn1)C2	ZINC001112543845	889606286	/nfs/dbraw/zinc/60/62/86/889606286.db2.gz	ZCUOVQSUVIQIDE-ZWOKBUDYSA-N	1	0	358.486	1.456	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCCc1ccccc1	ZINC001127609316	889741359	/nfs/dbraw/zinc/74/13/59/889741359.db2.gz	VKGJHNASCJEGLJ-MSOLQXFVSA-N	1	0	359.470	1.032	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)C[C@]2(O)CCC[N@H+](Cc3ccccc3)C2)C1	ZINC000923555463	889771221	/nfs/dbraw/zinc/77/12/21/889771221.db2.gz	QUHCVZOFVSVQQZ-RBBKRZOGSA-N	1	0	369.509	1.617	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)[C@@H]2CCO[C@H]2CNC(=O)OC(C)(C)C)C1	ZINC000923556268	889810821	/nfs/dbraw/zinc/81/08/21/889810821.db2.gz	WVGCPJJQEYHUFL-XHSDSOJGSA-N	1	0	365.474	1.130	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CCN(C(=O)C[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000939032805	889848359	/nfs/dbraw/zinc/84/83/59/889848359.db2.gz	ABEMUBRGTKOSKR-UFYCRDLUSA-N	1	0	371.525	1.827	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3cccnc3C)C2)CC1	ZINC000939036390	889875703	/nfs/dbraw/zinc/87/57/03/889875703.db2.gz	RJTGTGVLQNSFOS-DNVCBOLYSA-N	1	0	368.481	1.312	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cnc3n2[C@@H](C)CCC3)[C@H](OC)C1	ZINC001212301408	889981682	/nfs/dbraw/zinc/98/16/82/889981682.db2.gz	QNNILTCWMLVMDW-ZMSDIMECSA-N	1	0	362.474	1.412	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@]3(C)C=CCC3)C2)CC1	ZINC000939099577	889983629	/nfs/dbraw/zinc/98/36/29/889983629.db2.gz	LHQCVRSASXCWDA-HGHGUNKESA-N	1	0	357.498	1.651	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2ccnc2)[C@@H](n2ccnn2)C1	ZINC001129289072	890067994	/nfs/dbraw/zinc/06/79/94/890067994.db2.gz	PXDNTRISTFZUGC-ZACQAIPSSA-N	1	0	357.462	1.434	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1OC	ZINC001212333125	890230461	/nfs/dbraw/zinc/23/04/61/890230461.db2.gz	YTPVIAPOQBCTEP-HZPDHXFCSA-N	1	0	351.491	1.417	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CCN(c3nc(C)cc(C#N)n3)C2)CC[N@@H+]1C	ZINC001063145900	890240999	/nfs/dbraw/zinc/24/09/99/890240999.db2.gz	FIZGDTYCTQBXPN-FGTMMUONSA-N	1	0	370.501	1.814	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(NC(=O)C2CC[NH+](C)CC2)CCC1	ZINC001063204510	890293735	/nfs/dbraw/zinc/29/37/35/890293735.db2.gz	IBIBSXSATXURJH-IRXDYDNUSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(NC(=O)C[N@@H+](C)CCC)CCC1	ZINC001063205089	890294557	/nfs/dbraw/zinc/29/45/57/890294557.db2.gz	CRKNUBZIMBRBIR-RDJZCZTQSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCN1CC[C@@H](N2C[C@@H](NC(=O)C(C)(C)C(=C)Cl)[C@H](OC)C2)C1=O	ZINC001212337318	890321512	/nfs/dbraw/zinc/32/15/12/890321512.db2.gz	HYFJPTNVASWNIX-RBSFLKMASA-N	1	0	369.893	1.367	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(NC(=O)[C@@H](CC)[NH+](C)C)CCC1	ZINC001063214107	890337925	/nfs/dbraw/zinc/33/79/25/890337925.db2.gz	BSZGEQRRGWYOLV-OAGGEKHMSA-N	1	0	351.491	1.463	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3C3CC3)CCC2)CC1	ZINC001063341153	890475613	/nfs/dbraw/zinc/47/56/13/890475613.db2.gz	KWYSCRNLLJYRGZ-ZWKOTPCHSA-N	1	0	357.498	1.533	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3ccnc(C)c3)C2)CC1	ZINC000939388335	890573466	/nfs/dbraw/zinc/57/34/66/890573466.db2.gz	ZZSMJGJXFBUCGC-DNVCBOLYSA-N	1	0	368.481	1.312	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc(OC)c2)C[C@H]1C	ZINC001106914730	890826706	/nfs/dbraw/zinc/82/67/06/890826706.db2.gz	AYFCQAULKPTSPS-BFYDXBDKSA-N	1	0	359.470	1.684	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)c2ccc3c[nH+]cn3c2C)C1	ZINC000995009213	891230178	/nfs/dbraw/zinc/23/01/78/891230178.db2.gz	RTAFGINICALQPQ-MSOLQXFVSA-N	1	0	368.437	1.565	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc3c[nH+]cn3c2)c1	ZINC001001904256	891576063	/nfs/dbraw/zinc/57/60/63/891576063.db2.gz	INVPEGDBKKZJMS-KYJSFNMBSA-N	1	0	374.404	1.710	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2C)c1	ZINC000940010972	891627122	/nfs/dbraw/zinc/62/71/22/891627122.db2.gz	LSUIQNWHRYJPKJ-ZTFGCOKTSA-N	1	0	356.470	1.226	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C#N)c[nH]1)C2	ZINC001001906038	891640878	/nfs/dbraw/zinc/64/08/78/891640878.db2.gz	XTPFWGJHDYEBFB-TXCZRRACSA-N	1	0	355.442	1.232	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2	ZINC001061037186	891691576	/nfs/dbraw/zinc/69/15/76/891691576.db2.gz	OOJMHQICRQMANU-IXDOHACOSA-N	1	0	363.502	1.369	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(C#N)[nH]2)C3)C1	ZINC001002086409	891908718	/nfs/dbraw/zinc/90/87/18/891908718.db2.gz	UXWATIPDCLXKKA-JFOHDYCDSA-N	1	0	355.442	1.090	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(C#N)c1)C2)[NH+](C)C	ZINC001002136152	891974852	/nfs/dbraw/zinc/97/48/52/891974852.db2.gz	STTHISVAVDJPDV-NCOADZHNSA-N	1	0	357.458	1.334	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)c2cccc(C[NH+](C)C)c2)C1	ZINC001002471888	892999023	/nfs/dbraw/zinc/99/90/23/892999023.db2.gz	GBSWAVGYHDXJPF-MOPGFXCFSA-N	1	0	371.481	1.528	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC2CN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)CC1	ZINC001002475648	893008702	/nfs/dbraw/zinc/00/87/02/893008702.db2.gz	XGTOIJLVWDOJEX-IMFGXOCKSA-N	1	0	369.509	1.509	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC2CN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)C2)CC1	ZINC001002478310	893034973	/nfs/dbraw/zinc/03/49/73/893034973.db2.gz	LORHRRJDDBOGMS-SLFFLAALSA-N	1	0	371.525	1.733	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C3CC3)cn2)C[C@H]1C	ZINC001106935394	893136811	/nfs/dbraw/zinc/13/68/11/893136811.db2.gz	PGJAKSHSNOMXOC-IIDMSEBBSA-N	1	0	368.481	1.395	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CN(C)C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC001002557386	893212277	/nfs/dbraw/zinc/21/22/77/893212277.db2.gz	QQMRPQBQKASIAH-OKZBNKHCSA-N	1	0	371.485	1.680	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@H]1C	ZINC001106942558	893279876	/nfs/dbraw/zinc/27/98/76/893279876.db2.gz	NUHDXVQBSJHWIY-ZWNOBZJWSA-N	1	0	354.248	1.994	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1ccccc1	ZINC000940818626	893304416	/nfs/dbraw/zinc/30/44/16/893304416.db2.gz	KCDFKUSHHNAWHW-XUVXKRRUSA-N	1	0	365.477	1.605	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2)C[C@H]1C	ZINC001106944291	893533875	/nfs/dbraw/zinc/53/38/75/893533875.db2.gz	AAVQJUVWSIFPLN-BRWVUGGUSA-N	1	0	359.470	1.440	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C)c(C)c2)C[C@H]1C	ZINC001106944316	893533887	/nfs/dbraw/zinc/53/38/87/893533887.db2.gz	AZZUWAYMRGDIIF-ZIFCJYIRSA-N	1	0	355.482	1.739	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC24CCC4)C3)CC1	ZINC001002672423	893541849	/nfs/dbraw/zinc/54/18/49/893541849.db2.gz	MDBQGPYOGYPHDG-HCXYKTFWSA-N	1	0	369.509	1.770	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)COCc2cc[nH]c(=O)c2)[C@H](OC)C1	ZINC001212458753	893709838	/nfs/dbraw/zinc/70/98/38/893709838.db2.gz	OVRAWFPDLGERLP-DJIMGWMZSA-N	1	0	363.458	1.474	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2	ZINC001002789910	893931665	/nfs/dbraw/zinc/93/16/65/893931665.db2.gz	IGPOFXOCWNMEMM-WTGUMLROSA-N	1	0	365.477	1.410	20	30		FDEDRO
C[C@@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)c1ccccc1	ZINC001106951064	894045007	/nfs/dbraw/zinc/04/50/07/894045007.db2.gz	PNYUVUUPBDCFLS-LZLYRXPVSA-N	1	0	356.470	1.504	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCN(C(=O)C2([NH+](C)C)CCC2)CC1	ZINC000941200699	894100767	/nfs/dbraw/zinc/10/07/67/894100767.db2.gz	XKKGFLUQLLMFBW-IRXDYDNUSA-N	1	0	363.502	1.513	20	30		FDEDRO
C=CCn1cccc1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2	ZINC001002822790	894227238	/nfs/dbraw/zinc/22/72/38/894227238.db2.gz	CEOBQRBMWOXWLO-ZACQAIPSSA-N	1	0	356.470	1.632	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1	ZINC000941211611	894259740	/nfs/dbraw/zinc/25/97/40/894259740.db2.gz	TWVVTLROJRKMNL-SQNIBIBYSA-N	1	0	363.502	1.513	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[N@@H+](C[C@H](O)C4CCCCC4)C[C@H]32)c1	ZINC001084261801	913869221	/nfs/dbraw/zinc/86/92/21/913869221.db2.gz	ZLDNVSDAEIGBMV-QRQLOZEOSA-N	1	0	356.470	1.974	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CNC(=O)Cc2ccccc2)C[C@H]1C	ZINC001106953299	894457756	/nfs/dbraw/zinc/45/77/56/894457756.db2.gz	QUCZNCIVMADRIT-RHSMWYFYSA-N	1	0	363.889	1.782	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)CC[C@@H]1CC1(Cl)Cl	ZINC000922026217	894539803	/nfs/dbraw/zinc/53/98/03/894539803.db2.gz	RIZSGYOVQQBNTL-GFCCVEGCSA-N	1	0	353.315	1.930	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(CC)c([N+](=O)[O-])c1	ZINC000922026658	894545400	/nfs/dbraw/zinc/54/54/00/894545400.db2.gz	VYSMAPBCTQAEHU-UHFFFAOYSA-N	1	0	365.455	1.875	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[N@H+](C)C[C@H](O)COCCOC(C)C	ZINC000265807819	894729125	/nfs/dbraw/zinc/72/91/25/894729125.db2.gz	DTDUBSNOLVSLDC-KRWDZBQOSA-N	1	0	366.458	1.680	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCCCCNC(C)=O)C[C@H]1C	ZINC001106955164	894737492	/nfs/dbraw/zinc/73/74/92/894737492.db2.gz	QTWMPYQEHRWJIA-SJLPKXTDSA-N	1	0	351.491	1.017	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2cccnc2OC(C)C)CC1	ZINC000671042115	895004339	/nfs/dbraw/zinc/00/43/39/895004339.db2.gz	BSZUGDPHKOXUDH-UHFFFAOYSA-N	1	0	360.458	1.252	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCN(C2C[NH+](C[C@@H](C)OC)C2)CC1	ZINC000941600154	895354643	/nfs/dbraw/zinc/35/46/43/895354643.db2.gz	WJOBIEDLOLNXGO-NEWSRXKRSA-N	1	0	365.518	1.221	20	30		FDEDRO
C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3OCC[C@@H]3c3ccccc3)CC2)C1	ZINC000941602864	895362152	/nfs/dbraw/zinc/36/21/52/895362152.db2.gz	BNXAWRPEQQPFRA-NHCUHLMSSA-N	1	0	369.509	1.964	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)C23CCC[NH+]2CCC3)CC1	ZINC000941659901	895462602	/nfs/dbraw/zinc/46/26/02/895462602.db2.gz	YRFWUEHZTOANEV-SJORKVTESA-N	1	0	361.486	1.267	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](C[C@@H](O)c2cccc(OC)c2)C1	ZINC001031988835	896174727	/nfs/dbraw/zinc/17/47/27/896174727.db2.gz	OWPFNQRSFHXTRA-QRVBRYPASA-N	1	0	360.454	1.368	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3ccncc3)nn2)C1	ZINC000999987411	896520263	/nfs/dbraw/zinc/52/02/63/896520263.db2.gz	NYYPXRZDBYONRN-FGTMMUONSA-N	1	0	352.442	1.526	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3ccncc3)nn2)C1	ZINC000999988353	896522563	/nfs/dbraw/zinc/52/25/63/896522563.db2.gz	UDGLSHOKCSPMPK-GBESFXJTSA-N	1	0	366.469	1.916	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@H]1C	ZINC001106967126	896526055	/nfs/dbraw/zinc/52/60/55/896526055.db2.gz	SFNHAYKXUVKJTI-IAGOWNOFSA-N	1	0	357.498	1.951	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@H]2OCCO[C@H]2C)CC2(CCOCC2)C1	ZINC001089945080	896706335	/nfs/dbraw/zinc/70/63/35/896706335.db2.gz	KYXPMZHYEOYRAB-KSZLIROESA-N	1	0	366.502	1.744	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCCC2=CCN(c3cnc(C#N)cn3)CC2)CC[N@@H+]1C	ZINC001089866879	897198376	/nfs/dbraw/zinc/19/83/76/897198376.db2.gz	SLLGPPKGWKMPIA-ZWKOTPCHSA-N	1	0	368.485	1.721	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](OC)C1	ZINC000942596342	897502190	/nfs/dbraw/zinc/50/21/90/897502190.db2.gz	ZJTTULDJPIKOES-OWCLPIDISA-N	1	0	351.491	1.415	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](CCCN2CCCC2=O)C1	ZINC001032040200	897564925	/nfs/dbraw/zinc/56/49/25/897564925.db2.gz	SCIKQQRIDKUTNJ-HKUYNNGSSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](C[C@@H]2CCc3ncnn32)C1	ZINC001032041163	897606050	/nfs/dbraw/zinc/60/60/50/897606050.db2.gz	GFFUMJMSIIXGAU-BQFCYCMXSA-N	1	0	359.474	1.185	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1C	ZINC001106986813	897627386	/nfs/dbraw/zinc/62/73/86/897627386.db2.gz	HIBWUEGXFXQNAA-BXKDBHETSA-N	1	0	369.263	1.320	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1O	ZINC001078027688	897655230	/nfs/dbraw/zinc/65/52/30/897655230.db2.gz	CTRQRBMLZSUWLV-IAGOWNOFSA-N	1	0	371.462	1.173	20	30		FDEDRO
C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@]3(CNC(=O)c4cc(C#N)c[nH]4)CCC[C@@H]23)C1	ZINC000995268968	897662162	/nfs/dbraw/zinc/66/21/62/897662162.db2.gz	DOZFCFSEXBBHEG-WRWLIDTKSA-N	1	0	369.469	1.339	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCc4ccccc43)C[C@H]2O)nc1	ZINC001078031194	897669705	/nfs/dbraw/zinc/66/97/05/897669705.db2.gz	HJMFPQSSOOJNTL-NJDAHSKKSA-N	1	0	361.445	1.915	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CCN(C(=O)[C@@H]3C[C@H]3CC)C2)CC1	ZINC000942824241	897875075	/nfs/dbraw/zinc/87/50/75/897875075.db2.gz	GBEMZYJCAWADBB-NZSAHSFTSA-N	1	0	359.514	1.827	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1C	ZINC001106991632	897976975	/nfs/dbraw/zinc/97/69/75/897976975.db2.gz	JXNNMSAOVKPKNT-OAGGEKHMSA-N	1	0	359.536	1.333	20	30		FDEDRO
C[N@@H+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2N(C(=O)c2cc(C#N)c[nH]2)CC3)C1	ZINC000995300046	898145823	/nfs/dbraw/zinc/14/58/23/898145823.db2.gz	FHMBJBWUQZWADW-XAUMDUMWSA-N	1	0	369.469	1.339	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]21	ZINC001084372472	914238819	/nfs/dbraw/zinc/23/88/19/914238819.db2.gz	WBYFAERATWPYMG-ZIAGYGMSSA-N	1	0	354.882	1.323	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1O	ZINC001078228583	898437412	/nfs/dbraw/zinc/43/74/12/898437412.db2.gz	WNGIHXUZHCGDOC-IXDOHACOSA-N	1	0	362.499	1.155	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)C[NH+]2CCCC2)C1	ZINC000943283718	898608028	/nfs/dbraw/zinc/60/80/28/898608028.db2.gz	LMURHMACUPHTLD-KURKYZTESA-N	1	0	363.502	1.561	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC000943284723	898614857	/nfs/dbraw/zinc/61/48/57/898614857.db2.gz	FULCMPONGZWMFR-BPQIPLTHSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cc(C)n(C)n2)C1	ZINC001078471915	898799889	/nfs/dbraw/zinc/79/98/89/898799889.db2.gz	IVAVBRVWDWGZSR-KURKYZTESA-N	1	0	362.474	1.027	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001078471987	898800583	/nfs/dbraw/zinc/80/05/83/898800583.db2.gz	KQPBBQQAQVKGBF-ZCNNSNEGSA-N	1	0	369.465	1.856	20	30		FDEDRO
C[C@@H]1CC[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3ccc(C#N)s3)C2)O1	ZINC001078475652	898816519	/nfs/dbraw/zinc/81/65/19/898816519.db2.gz	SZPUTRFFACXGDQ-CKEIUWERSA-N	1	0	363.483	1.894	20	30		FDEDRO
N#Cc1nnc2ccccc2c1NCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000265759115	898826131	/nfs/dbraw/zinc/82/61/31/898826131.db2.gz	FWRRDYXNXGRTOG-UHFFFAOYSA-N	1	0	374.452	1.916	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2nccn2C)C1	ZINC001078486491	898844259	/nfs/dbraw/zinc/84/42/59/898844259.db2.gz	XQVFBUDSCLLMOW-BQFCYCMXSA-N	1	0	362.474	1.108	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCc1cccc(-n2cc(C[NH2+]CC)nn2)c1	ZINC001089969249	898889427	/nfs/dbraw/zinc/88/94/27/898889427.db2.gz	HOLPAAOFQUXKJT-MOPGFXCFSA-N	1	0	369.469	1.974	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)C[N@@H+](C)C2CCC2)C1	ZINC000943552289	899008822	/nfs/dbraw/zinc/00/88/22/899008822.db2.gz	YMOBSMOQDAJHIW-NXHRZFHOSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO	ZINC000656192236	899022212	/nfs/dbraw/zinc/02/22/12/899022212.db2.gz	HGAMDWBUARIZFE-HAGHYFMRSA-N	1	0	373.497	1.902	20	30		FDEDRO
C=CCN1CC[C@@H]([NH+]2CCC(CNC(=O)[C@@H]3CCO[C@H]3CC)CC2)C1=O	ZINC001001674788	899141344	/nfs/dbraw/zinc/14/13/44/899141344.db2.gz	SKQCDDZHSCYGLC-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@H](C(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1)c1ccccc1	ZINC001107018488	899557676	/nfs/dbraw/zinc/55/76/76/899557676.db2.gz	JWESCLSEMUXCTK-NXHRZFHOSA-N	1	0	364.511	1.685	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCn2cccc2)C[C@H]1C	ZINC001107022400	899614755	/nfs/dbraw/zinc/61/47/55/899614755.db2.gz	OCOFEMBQKNMGDM-FGTMMUONSA-N	1	0	360.502	1.643	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cncc3ccccc32)C[C@H]1C	ZINC001107028112	899635102	/nfs/dbraw/zinc/63/51/02/899635102.db2.gz	QBWNZURJLMSZKF-NVXWUHKLSA-N	1	0	366.465	1.835	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)COc2cccc(C(N)=O)c2)C[C@H]1C	ZINC001107029135	899640584	/nfs/dbraw/zinc/64/05/84/899640584.db2.gz	NAPXYPJUBONQIE-NVXWUHKLSA-N	1	0	359.470	1.815	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC000943971315	899651704	/nfs/dbraw/zinc/65/17/04/899651704.db2.gz	UNWOECPRCVVIIM-HLLBOEOZSA-N	1	0	357.458	1.337	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCc3cccs3)C[C@H]21	ZINC001084418063	914382211	/nfs/dbraw/zinc/38/22/11/914382211.db2.gz	SUUGDZFZYNWTLA-NZSAHSFTSA-N	1	0	357.523	1.921	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2ccccc2C)C[C@H]1C	ZINC001107051861	900144764	/nfs/dbraw/zinc/14/47/64/900144764.db2.gz	QVAWQNKUHBYDOZ-NLWGTHIKSA-N	1	0	369.509	1.607	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC3(C2)CCN(C(=O)[C@H](C)C#N)CC3)CC[N@@H+]1C	ZINC000944414387	900240539	/nfs/dbraw/zinc/24/05/39/900240539.db2.gz	GKGCSHNPYZBGDY-IXDOHACOSA-N	1	0	360.502	1.717	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]Cc2ccnc(N(C)C)c2)[C@H](C)C1	ZINC001107059063	900308519	/nfs/dbraw/zinc/30/85/19/900308519.db2.gz	PEZCENUAYXTYKO-SJLPKXTDSA-N	1	0	360.502	1.924	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NCCCC)[C@H](C)C1	ZINC001107062548	900373149	/nfs/dbraw/zinc/37/31/49/900373149.db2.gz	MWEYPONUOUZAJY-IXDOHACOSA-N	1	0	353.507	1.568	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)n2C2CC2)[C@H](C)C1	ZINC001107062729	900376928	/nfs/dbraw/zinc/37/69/28/900376928.db2.gz	QXYAECAZVKYRCW-IIAWOOMASA-N	1	0	361.490	1.697	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2csnc2OC)[C@H](C)C1	ZINC001107063603	900449136	/nfs/dbraw/zinc/44/91/36/900449136.db2.gz	UYEMNKAPBOORDQ-HZSPNIEDSA-N	1	0	353.488	1.927	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2noc3c2COCC3)[C@H](C)C1	ZINC001107063486	900449635	/nfs/dbraw/zinc/44/96/35/900449635.db2.gz	QCQARPUWRHKPCO-RBSFLKMASA-N	1	0	363.458	1.523	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]Cc2cc(=O)c(OC)co2)[C@H](C)C1	ZINC001107065122	900453621	/nfs/dbraw/zinc/45/36/21/900453621.db2.gz	GOBVSKGQDTXEJV-HUUCEWRRSA-N	1	0	364.442	1.425	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2CCCC)[C@H](C)C1	ZINC001107065505	900456330	/nfs/dbraw/zinc/45/63/30/900456330.db2.gz	PYFYHIVEKVPXMK-OWCLPIDISA-N	1	0	364.494	1.248	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cc(=O)c(OC)co2)[C@H](C)C1	ZINC001107065821	900457702	/nfs/dbraw/zinc/45/77/02/900457702.db2.gz	YWOHKWPDCQMJNM-QLFBSQMISA-N	1	0	364.442	1.424	20	30		FDEDRO
CC(C)C[C@@H](C(N)=O)C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1	ZINC001107095026	900840435	/nfs/dbraw/zinc/84/04/35/900840435.db2.gz	ZKKLPTIIBIZQAV-RLLQIKCJSA-N	1	0	369.509	1.870	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C2)CCCC1	ZINC001107100373	901003703	/nfs/dbraw/zinc/00/37/03/901003703.db2.gz	XHXFPYKNSNMGIW-HZPDHXFCSA-N	1	0	371.547	1.356	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNC(=O)C23CCC[NH+]2CCC3)CCC1	ZINC001063707597	901098156	/nfs/dbraw/zinc/09/81/56/901098156.db2.gz	OYRSZJPHJUXNOV-CVEARBPZSA-N	1	0	361.486	1.361	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2nccnc2C#N)CC[N@@H+]1C	ZINC001064544111	901395774	/nfs/dbraw/zinc/39/57/74/901395774.db2.gz	GYTZZSARTHISLW-UIBIWLFHSA-N	1	0	368.485	1.648	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnn(C)c2)C1	ZINC001079127707	901929777	/nfs/dbraw/zinc/92/97/77/901929777.db2.gz	XXWPYHCEOMEUCA-RTBURBONSA-N	1	0	354.454	1.684	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccnc(C)n2)C1	ZINC001079146941	901969837	/nfs/dbraw/zinc/96/98/37/901969837.db2.gz	OYRBFJAKNKRKHW-WOJBJXKFSA-N	1	0	364.449	1.496	20	30		FDEDRO
C#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cccn2CC)C1	ZINC001079147032	901969895	/nfs/dbraw/zinc/96/98/95/901969895.db2.gz	SUHVYYRSNJUNML-WOJBJXKFSA-N	1	0	351.450	1.829	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccc(=O)[nH]c2)C1	ZINC001079147118	901971846	/nfs/dbraw/zinc/97/18/46/901971846.db2.gz	YRBLEEIFULBXRI-RTBURBONSA-N	1	0	365.433	1.498	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)CC[C@H]1c1ccc(F)cc1	ZINC001079148192	901975502	/nfs/dbraw/zinc/97/55/02/901975502.db2.gz	FRZGDNVOWWPVNU-RBUKOAKNSA-N	1	0	353.397	1.680	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cnn(C)c2)CC[C@H]1c1ccc(F)cc1	ZINC001079149365	901978829	/nfs/dbraw/zinc/97/88/29/901978829.db2.gz	PDIRVIFDWKJXPR-RBUKOAKNSA-N	1	0	354.429	1.709	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC(=O)NC2)CC[C@H]1c1ccc(F)cc1	ZINC001079153332	901989760	/nfs/dbraw/zinc/98/97/60/901989760.db2.gz	AEAJHGOZCQUPIA-AYOQOUSVSA-N	1	0	371.456	1.649	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnnn2CC)C1	ZINC001079134893	901999262	/nfs/dbraw/zinc/99/92/62/901999262.db2.gz	XPDRANBPCIGAGR-RTBURBONSA-N	1	0	367.453	1.009	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](C(C)C)C[C@H]1O	ZINC001079136842	902007419	/nfs/dbraw/zinc/00/74/19/902007419.db2.gz	FXVTUXFCLYKLMN-PWRODBHTSA-N	1	0	369.509	1.566	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)CC[C@H]1c1ccc(F)cc1	ZINC001079154554	902068296	/nfs/dbraw/zinc/06/82/96/902068296.db2.gz	JSYMSSSXCKZORI-DLBZAZTESA-N	1	0	354.385	1.542	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]CCF)C2)nn1	ZINC001079202000	902103167	/nfs/dbraw/zinc/10/31/67/902103167.db2.gz	NEJSGYMSJJQHRU-JKSUJKDBSA-N	1	0	361.396	1.771	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CC)C[C@H]1c1cccc(F)c1	ZINC001079204758	902107734	/nfs/dbraw/zinc/10/77/34/902107734.db2.gz	KVCADEUPVYOBBA-CEXWTWQISA-N	1	0	371.456	1.744	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CCO)C1	ZINC001079207946	902114156	/nfs/dbraw/zinc/11/41/56/902114156.db2.gz	AKOMYZHZECTKJV-LEWJYISDSA-N	1	0	366.436	1.926	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2C)C[C@H]1c1cccc(F)c1	ZINC001079208521	902116013	/nfs/dbraw/zinc/11/60/13/902116013.db2.gz	UQUUBLZUFYXBBB-RCCFBDPRSA-N	1	0	357.429	1.354	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nnn(C(C)(C)C)n2)C[C@H]1c1cccc(F)c1	ZINC001079183691	902126864	/nfs/dbraw/zinc/12/68/64/902126864.db2.gz	OPSMVZBUWBTRFF-JKSUJKDBSA-N	1	0	370.432	1.398	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC)C2)C[C@H]1c1cccc(F)c1	ZINC001079186494	902132022	/nfs/dbraw/zinc/13/20/22/902132022.db2.gz	ODAQESSGEYKGJA-BPQIPLTHSA-N	1	0	357.429	1.211	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cc(C)nn2C)C[C@H]1c1cccc(F)c1	ZINC001079191191	902146228	/nfs/dbraw/zinc/14/62/28/902146228.db2.gz	ATLDVLHGHLDICS-RBUKOAKNSA-N	1	0	354.429	1.628	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@H]1c1cccc(F)c1	ZINC001079192495	902149108	/nfs/dbraw/zinc/14/91/08/902149108.db2.gz	JTYYJOXKFJHWNQ-SQGPQFPESA-N	1	0	359.445	1.812	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+][C@@H]2CCNC2=O)C1	ZINC001079193853	902154721	/nfs/dbraw/zinc/15/47/21/902154721.db2.gz	YLOGWVNIKNJIKH-GVDBMIGSSA-N	1	0	359.445	1.810	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cncnc2)C[C@H]1c1cccc(F)c1	ZINC001079195322	902157355	/nfs/dbraw/zinc/15/73/55/902157355.db2.gz	PDXSRVJMMJQZLF-MDASCCDHSA-N	1	0	352.413	1.937	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3nnn(C)c3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079231589	902165339	/nfs/dbraw/zinc/16/53/39/902165339.db2.gz	RVRGCMCWPQKCDS-JKSUJKDBSA-N	1	0	359.474	1.253	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCNC(=O)C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079235728	902175958	/nfs/dbraw/zinc/17/59/58/902175958.db2.gz	NOQDASOYBOKKLU-IXDOHACOSA-N	1	0	361.486	1.028	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CN(C(=O)Cc3cncnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079239369	902185470	/nfs/dbraw/zinc/18/54/70/902185470.db2.gz	PFIUJWUXKWCNSE-RBUKOAKNSA-N	1	0	370.497	1.925	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)Cc3ccncc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079242025	902196770	/nfs/dbraw/zinc/19/67/70/902196770.db2.gz	NVICEVOOPQBHED-VQTJNVASSA-N	1	0	367.493	1.895	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nn(CC)nc2C)C[C@H]1c1cccc(F)c1	ZINC001079212283	902198003	/nfs/dbraw/zinc/19/80/03/902198003.db2.gz	RYDBCXWSSRAXOQ-DLBZAZTESA-N	1	0	355.417	1.577	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H](C)n3cccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079225014	902232328	/nfs/dbraw/zinc/23/23/28/902232328.db2.gz	PVKCARYRFHSZBE-FGTMMUONSA-N	1	0	358.486	1.960	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCCO3)[C@@H]3COC[C@@H]32)CC1	ZINC001079226230	902236307	/nfs/dbraw/zinc/23/63/07/902236307.db2.gz	RAKHBTLNCDZUAC-GBESFXJTSA-N	1	0	360.498	1.908	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC(=O)N3)[C@@H]3COC[C@@H]32)CC1	ZINC001079247046	902260040	/nfs/dbraw/zinc/26/00/40/902260040.db2.gz	IQVCTZYTELZLQR-GVDBMIGSSA-N	1	0	361.486	1.171	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)C(=O)Nc3ccccc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079249902	902265573	/nfs/dbraw/zinc/26/55/73/902265573.db2.gz	AMOUDHFCHUNFAF-ZWKOTPCHSA-N	1	0	367.449	1.198	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)CCc3ccncc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079250108	902266992	/nfs/dbraw/zinc/26/69/92/902266992.db2.gz	MNJMNIBJACEJGU-RBUKOAKNSA-N	1	0	353.466	1.587	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)CCn3ccnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079254555	902281639	/nfs/dbraw/zinc/28/16/39/902281639.db2.gz	IJASLXBRQNQYCQ-ZWKOTPCHSA-N	1	0	356.470	1.236	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)Cc3ncccc3OC)[C@@H]3COC[C@@H]32)CC1	ZINC001079258114	902291045	/nfs/dbraw/zinc/29/10/45/902291045.db2.gz	NSKXZHLHFSWIGJ-FUHWJXTLSA-N	1	0	371.481	1.758	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3ncc4n3CCCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079273745	902293191	/nfs/dbraw/zinc/29/31/91/902293191.db2.gz	OMTJATYPBZEOLA-ZWKOTPCHSA-N	1	0	370.497	1.958	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3[nH]c(C)nc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079260853	902298895	/nfs/dbraw/zinc/29/88/95/902298895.db2.gz	SLTWUFTUHJNPAK-DLBZAZTESA-N	1	0	356.470	1.603	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc(C)nc(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079265592	902311920	/nfs/dbraw/zinc/31/19/20/902311920.db2.gz	QUGXNQGXEMXASH-FUHWJXTLSA-N	1	0	354.454	1.280	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CC3(CC[NH+](CC=C)CC3)[C@H]3COC[C@H]32)nn1	ZINC001079265663	902312331	/nfs/dbraw/zinc/31/23/31/902312331.db2.gz	VENBGBIRFMQEDT-FUHWJXTLSA-N	1	0	371.485	1.593	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc(C(C)C)nn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079268178	902321013	/nfs/dbraw/zinc/32/10/13/902321013.db2.gz	RLUHAFTTZDEIEK-QFBILLFUSA-N	1	0	370.497	1.730	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@H]([NH2+]Cc3cccc(C#N)c3)C(C)(C)C2)C1	ZINC000995827647	902335251	/nfs/dbraw/zinc/33/52/51/902335251.db2.gz	APMXQAUZSUTVRS-OLMNPRSZSA-N	1	0	368.481	1.800	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCc4cn[nH]c43)[C@@H]3COC[C@@H]32)CC1	ZINC001079242472	902337721	/nfs/dbraw/zinc/33/77/21/902337721.db2.gz	ZAYUXTQFNWIGDA-FGTMMUONSA-N	1	0	368.481	1.402	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cn4c(n3)CCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079242993	902339208	/nfs/dbraw/zinc/33/92/08/902339208.db2.gz	FBZBOWKKIHNRGT-FUHWJXTLSA-N	1	0	368.481	1.406	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cc(OC)ns3)[C@@H]3COC[C@@H]32)CC1	ZINC001079243056	902340707	/nfs/dbraw/zinc/34/07/07/902340707.db2.gz	IRLJNCYNMVTHOQ-UONOGXRCSA-N	1	0	363.483	1.891	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCNC(=O)CC2)C[C@H]1c1ccccc1F	ZINC001079304060	902352287	/nfs/dbraw/zinc/35/22/87/902352287.db2.gz	PAZRZGOJZQMPPH-QILLFSRXSA-N	1	0	357.429	1.259	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)CCc3cncc(F)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079275105	902357882	/nfs/dbraw/zinc/35/78/82/902357882.db2.gz	CYHFFQYLCNBKDC-RBUKOAKNSA-N	1	0	371.456	1.726	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cc(CC)n(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079275372	902358109	/nfs/dbraw/zinc/35/81/09/902358109.db2.gz	MNSOAWQGGOTPAE-PKOBYXMFSA-N	1	0	370.497	1.559	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1c1ccccc1F)C(N)=O	ZINC001079290316	902388925	/nfs/dbraw/zinc/38/89/25/902388925.db2.gz	FAYXVHXXGIGNQG-HYSWKAIVSA-N	1	0	369.400	1.097	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1c1ccccc1F	ZINC001079293487	902394359	/nfs/dbraw/zinc/39/43/59/902394359.db2.gz	BMBMAAAITBZDGJ-GOEBONIOSA-N	1	0	359.401	1.891	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc3n[nH]nc32)C[C@H]1c1ccccc1F	ZINC001079296530	902400350	/nfs/dbraw/zinc/40/03/50/902400350.db2.gz	FLTAEMUZCNTESM-MAUKXSAKSA-N	1	0	363.396	1.928	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cn2ccc(C)cc2=O)C[C@H]1c1ccccc1F	ZINC001079314744	902408951	/nfs/dbraw/zinc/40/89/51/902408951.db2.gz	JGKLHUKRIFHYSS-PKOBYXMFSA-N	1	0	367.424	1.513	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]cn2)C[C@H]1c1ccccc1F	ZINC001079315836	902410618	/nfs/dbraw/zinc/41/06/18/902410618.db2.gz	HRDBFKFVWRSECI-UCLAIMLFSA-N	1	0	354.429	1.945	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2OC)C[C@H]1c1ccccc1F	ZINC001079305038	902435428	/nfs/dbraw/zinc/43/54/28/902435428.db2.gz	IKKCWAXMTYYUHL-WMLDXEAASA-N	1	0	356.401	1.399	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC001079589040	902843685	/nfs/dbraw/zinc/84/36/85/902843685.db2.gz	RLWDKEXLIPVLIL-DKSSEZFCSA-N	1	0	352.438	1.540	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC001079593759	902874620	/nfs/dbraw/zinc/87/46/20/902874620.db2.gz	CLIPKZNURKWAOH-SJKOYZFVSA-N	1	0	351.410	1.236	20	30		FDEDRO
COc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]2C)on1	ZINC001079603657	902904913	/nfs/dbraw/zinc/90/49/13/902904913.db2.gz	PGKNXENGKOXHTR-CZUORRHYSA-N	1	0	370.409	1.836	20	30		FDEDRO
COCCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)nn1	ZINC001079686198	903027476	/nfs/dbraw/zinc/02/74/76/903027476.db2.gz	UHYHDNASYFVTOL-RHSMWYFYSA-N	1	0	368.441	1.046	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C#N)[nH]1)C2	ZINC000996102722	903086002	/nfs/dbraw/zinc/08/60/02/903086002.db2.gz	FOWUEDGZBINIGZ-UBDQQSCGSA-N	1	0	369.469	1.622	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1ccc2n[nH]nc2n1	ZINC001079809064	903396399	/nfs/dbraw/zinc/39/63/99/903396399.db2.gz	LALOEZIALIHYRI-SJKOYZFVSA-N	1	0	361.409	1.475	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1CN(C(=O)CCC[NH+](C)C)C1	ZINC001079857252	903531172	/nfs/dbraw/zinc/53/11/72/903531172.db2.gz	JHUIWLGVWPSYGD-SJORKVTESA-N	1	0	351.491	1.369	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001079859529	903546532	/nfs/dbraw/zinc/54/65/32/903546532.db2.gz	AVJUPKOYVSKRCH-BFYDXBDKSA-N	1	0	351.491	1.367	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccn4c3CCCC4)C2)C1=O	ZINC001079872246	903581798	/nfs/dbraw/zinc/58/17/98/903581798.db2.gz	DJUYZFZICLPHJH-SUMDDJOVSA-N	1	0	370.497	1.661	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N(CC)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)OCC	ZINC001079883991	903615033	/nfs/dbraw/zinc/61/50/33/903615033.db2.gz	DELSZDBPRBZKMS-NXHRZFHOSA-N	1	0	365.518	1.757	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC(=O)NC4)[C@@H]3C2)cc1	ZINC001084474089	914735675	/nfs/dbraw/zinc/73/56/75/914735675.db2.gz	VYRGWEZIVDRNBJ-KZNAEPCWSA-N	1	0	352.438	1.117	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[C@@H]1CCN(C)C1=O	ZINC001079915782	903670460	/nfs/dbraw/zinc/67/04/60/903670460.db2.gz	MHZVMTRWJXGUMH-FHLIZLRMSA-N	1	0	354.454	1.363	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2c(C)nnn2CC)C(C)(C)C1	ZINC000996331669	903713430	/nfs/dbraw/zinc/71/34/30/903713430.db2.gz	SKMJKHHGNTXIGQ-PVAVHDDUSA-N	1	0	361.490	1.524	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]([NH2+]CCn2nc(C)nc2C)C(C)(C)C1	ZINC000996332348	903716096	/nfs/dbraw/zinc/71/60/96/903716096.db2.gz	YPAUYZCYFUAVOH-IKGGRYGDSA-N	1	0	361.490	1.313	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@@]3(CNC(=O)CSC)CCC[C@@H]23)C1=O	ZINC001107271253	904252695	/nfs/dbraw/zinc/25/26/95/904252695.db2.gz	VNSWWFAZXOXBAI-HDMKZQKVSA-N	1	0	351.516	1.497	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3scnc3C)CCC[C@@H]12	ZINC001107296288	904337742	/nfs/dbraw/zinc/33/77/42/904337742.db2.gz	NMBQZVDXBHLJIG-RDTXWAMCSA-N	1	0	362.499	1.728	20	30		FDEDRO
Cc1ncc(C[N@@H+]2CC[C@@]3(CNC(=O)CSCC#N)CCC[C@@H]23)cn1	ZINC001107291262	904365312	/nfs/dbraw/zinc/36/53/12/904365312.db2.gz	RFVSVLFXNPXXJI-SJLPKXTDSA-N	1	0	359.499	1.903	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccc(OC)nn1)CC2	ZINC001107330920	904462928	/nfs/dbraw/zinc/46/29/28/904462928.db2.gz	SVLQKFSROZIVJF-VQIMIIECSA-N	1	0	360.458	1.549	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)CSC)CCC[C@@H]12	ZINC001107330868	904462988	/nfs/dbraw/zinc/46/29/88/904462988.db2.gz	RAMIGHDTRKHCQW-HDMKZQKVSA-N	1	0	353.532	1.649	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cnn(CC)c3)CCC[C@@H]12	ZINC001107334682	904474736	/nfs/dbraw/zinc/47/47/36/904474736.db2.gz	RQAAJYBXAIVMLU-VQIMIIECSA-N	1	0	359.474	1.180	20	30		FDEDRO
C=CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCO[C@H](C)C1)CC2	ZINC001107326662	904480108	/nfs/dbraw/zinc/48/01/08/904480108.db2.gz	CXSXBMBSMGBMNE-MBOZVWFJSA-N	1	0	363.502	1.561	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3CC(F)(F)C3)CCC[C@@H]12	ZINC001107349850	904553326	/nfs/dbraw/zinc/55/33/26/904553326.db2.gz	VBYMDNKOPQCCJB-RHSMWYFYSA-N	1	0	353.413	1.142	20	30		FDEDRO
C[C@H](NC(N)=O)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccc(C#N)cc1)CC2	ZINC001107377503	904615487	/nfs/dbraw/zinc/61/54/87/904615487.db2.gz	PVGLETZLDSFHBZ-JNAXZKDPSA-N	1	0	369.469	1.476	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnc(C)cn1)CC2	ZINC001107380840	904647765	/nfs/dbraw/zinc/64/77/65/904647765.db2.gz	ARORZDAYRXFNLE-MISYRCLQSA-N	1	0	358.486	1.973	20	30		FDEDRO
CC(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@@H]1CCc3ncnn31)CC2	ZINC001107396738	904711136	/nfs/dbraw/zinc/71/11/36/904711136.db2.gz	JPAGAYIOZUJGSE-SQGPQFPESA-N	1	0	355.486	1.786	20	30		FDEDRO
CO[C@@H]1CN(CCOc2ccccc2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC001081507126	904718306	/nfs/dbraw/zinc/71/83/06/904718306.db2.gz	GPLGJHLLKIJBAH-QZTJIDSGSA-N	1	0	354.410	1.394	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C#CC3CC3)CCC[C@@H]12	ZINC001107399953	904731538	/nfs/dbraw/zinc/73/15/38/904731538.db2.gz	RIIXQWQDHZFJDY-DENIHFKCSA-N	1	0	369.509	1.961	20	30		FDEDRO
O=C(C#CC1CC1)NC[C@]12CCC[C@H]1[N@H+](C[C@H]1CCNC(=O)CC1)CC2	ZINC001107399802	904731685	/nfs/dbraw/zinc/73/16/85/904731685.db2.gz	KMGCNUMWJVHRTP-DBXWQHBBSA-N	1	0	357.498	1.677	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)COc3c(C)nn(C)c3C)CCC[C@@H]12	ZINC001107408591	904767375	/nfs/dbraw/zinc/76/73/75/904767375.db2.gz	ZPNYSYDAYACITL-YLJYHZDGSA-N	1	0	358.486	1.800	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCCC1)CC2	ZINC001107401227	904775789	/nfs/dbraw/zinc/77/57/89/904775789.db2.gz	CWLDAYATGGCDSB-SQGPQFPESA-N	1	0	361.486	1.008	20	30		FDEDRO
C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(C)(C)C)CC2	ZINC001107401301	904777515	/nfs/dbraw/zinc/77/75/15/904777515.db2.gz	GWUVILUXCBAFDI-JXXFODFXSA-N	1	0	363.502	1.300	20	30		FDEDRO
C#Cc1cccc(NC(=S)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1	ZINC000764504838	904842238	/nfs/dbraw/zinc/84/22/38/904842238.db2.gz	RCEKRGXXUYVFIV-KRWDZBQOSA-N	1	0	356.495	1.603	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)CCNC(=O)c3ccncc3)CCC[C@@H]12	ZINC001107426251	904846408	/nfs/dbraw/zinc/84/64/08/904846408.db2.gz	LCUMUKAPECDNGM-YLJYHZDGSA-N	1	0	356.470	1.748	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3c(C)[nH]nc3Cl)CCC[C@@H]12	ZINC001107428892	904861282	/nfs/dbraw/zinc/86/12/82/904861282.db2.gz	KFHSSNTUIRBTBF-RDTXWAMCSA-N	1	0	364.877	1.996	20	30		FDEDRO
C#CCC1(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC=C)CC3)CCC1	ZINC001107433129	904888336	/nfs/dbraw/zinc/88/83/36/904888336.db2.gz	ORDRMOHPLQZAEC-DYESRHJHSA-N	1	0	357.498	1.843	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C(N)=O)o3)CCC[C@@H]12	ZINC001107466302	905039552	/nfs/dbraw/zinc/03/95/52/905039552.db2.gz	CENQIXXJJZAFAF-VQIMIIECSA-N	1	0	361.442	1.556	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CCCC(=O)N3)CCC[C@@H]12	ZINC001107467340	905047387	/nfs/dbraw/zinc/04/73/87/905047387.db2.gz	KISGAIDTQPVPLV-MBOZVWFJSA-N	1	0	361.486	1.056	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc4ncnn43)CCC[C@@H]12	ZINC001107463745	905069610	/nfs/dbraw/zinc/06/96/10/905069610.db2.gz	BQOLKHJYXWJFBC-YLJYHZDGSA-N	1	0	367.453	1.354	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)COCc3nnc(C)s3)CCC[C@@H]12	ZINC001107464305	905073244	/nfs/dbraw/zinc/07/32/44/905073244.db2.gz	RRXXIPDGVRYJGQ-CRAIPNDOSA-N	1	0	362.499	1.747	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CCC[C@@H]12	ZINC001107477021	905145460	/nfs/dbraw/zinc/14/54/60/905145460.db2.gz	ZYNBYSHMIGNGTQ-KOIVZITQSA-N	1	0	373.497	1.073	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3(CCF)CC3)CCC[C@@H]12	ZINC001107482311	905181675	/nfs/dbraw/zinc/18/16/75/905181675.db2.gz	JMNVWFZVSWKSHY-RDTXWAMCSA-N	1	0	350.438	1.127	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCc3nc(C)no3)CCC[C@@H]12	ZINC001107494509	905194054	/nfs/dbraw/zinc/19/40/54/905194054.db2.gz	LVKQXVXFBBKRHX-VQIMIIECSA-N	1	0	360.458	1.321	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CCCS3(=O)=O)CCC[C@@H]12	ZINC001107488284	905208836	/nfs/dbraw/zinc/20/88/36/905208836.db2.gz	BELALECARAAYBN-LZLYRXPVSA-N	1	0	354.516	1.891	20	30		FDEDRO
C[C@@H](CC(N)=O)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccc1C#N)CC2	ZINC001107499621	905234213	/nfs/dbraw/zinc/23/42/13/905234213.db2.gz	LWPWSPZCMAWRHJ-RRMPHLOHSA-N	1	0	368.481	1.931	20	30		FDEDRO
CO[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C	ZINC001081855530	905240671	/nfs/dbraw/zinc/24/06/71/905240671.db2.gz	IKOSMYAJXQEOIO-CEXWTWQISA-N	1	0	356.470	1.358	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1ccoc1CC(N)=O	ZINC001080340876	905244557	/nfs/dbraw/zinc/24/45/57/905244557.db2.gz	STZQCNGVHORFFK-CXAGYDPISA-N	1	0	366.421	1.429	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[NH+]2CCC(C)CC2)C1	ZINC001080347530	905270754	/nfs/dbraw/zinc/27/07/54/905270754.db2.gz	WAJPGYMGTKXJHG-MSOLQXFVSA-N	1	0	363.502	1.369	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1NC(=O)C12CCC[NH+]1CCC2	ZINC001081895173	905342055	/nfs/dbraw/zinc/34/20/55/905342055.db2.gz	XDVCHXQJHZLLGD-RTBURBONSA-N	1	0	368.481	1.502	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nc(=O)n(C)[nH]1)CC2	ZINC001107536238	905416323	/nfs/dbraw/zinc/41/63/23/905416323.db2.gz	IXCFGJNPIXRSPL-MDASCCDHSA-N	1	0	361.490	1.572	20	30		FDEDRO
C=C1CC(C)(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCN2CCNC2=O)CC3)C1	ZINC001107543249	905469218	/nfs/dbraw/zinc/46/92/18/905469218.db2.gz	BVZRFYKFVWJENO-OXQOHEQNSA-N	1	0	360.502	1.729	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)CS(=O)(=O)N(CC)CC)CCC[C@@H]12	ZINC001107563691	905603989	/nfs/dbraw/zinc/60/39/89/905603989.db2.gz	NNYOEVWDFKCZHB-NVXWUHKLSA-N	1	0	357.520	1.205	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)Cn3c(=O)[nH]c4ccccc43)CCC[C@@H]12	ZINC001107559113	905614477	/nfs/dbraw/zinc/61/44/77/905614477.db2.gz	ZWYMUTXNLWVGED-YLJYHZDGSA-N	1	0	352.438	1.736	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)C(=O)NCc3ccc(F)cc3)CCC[C@@H]12	ZINC001107572859	905709937	/nfs/dbraw/zinc/70/99/37/905709937.db2.gz	XJRDUFANDFMDNZ-WIYYLYMNSA-N	1	0	371.456	1.826	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4nncn4c3)CCC[C@@H]12	ZINC001107573740	905719179	/nfs/dbraw/zinc/71/91/79/905719179.db2.gz	ICEMXGBHSHYYHR-YLJYHZDGSA-N	1	0	367.453	1.354	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC#CCOC)CC2	ZINC001107574065	905721384	/nfs/dbraw/zinc/72/13/84/905721384.db2.gz	MMOYGGNUXDVTAM-YOUFYPILSA-N	1	0	360.498	1.978	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C)nc(C)n3)CCC[C@@H]12	ZINC001107574288	905723070	/nfs/dbraw/zinc/72/30/70/905723070.db2.gz	WGBAZORNLHAFQM-UYAOXDASSA-N	1	0	356.470	1.718	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc4c(c3)COC4)C[C@H]2C)nn1	ZINC001080578997	905733613	/nfs/dbraw/zinc/73/36/13/905733613.db2.gz	JKKRWAZALMKLCO-RDTXWAMCSA-N	1	0	367.453	1.745	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(N(C)C)c3)C[C@H]2C)nn1	ZINC001080578945	905733650	/nfs/dbraw/zinc/73/36/50/905733650.db2.gz	HNWJAYLFDAYAPE-CRAIPNDOSA-N	1	0	368.485	1.780	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001080592234	905761628	/nfs/dbraw/zinc/76/16/28/905761628.db2.gz	YGCWYDKZYKHNAO-NOCIGQNYSA-N	1	0	356.470	1.614	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)CCN3CCOCC3)CCC[C@@H]12	ZINC001107579074	905783305	/nfs/dbraw/zinc/78/33/05/905783305.db2.gz	RAGYAFOGLMUTPI-SJLPKXTDSA-N	1	0	355.910	1.822	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C3(S(C)(=O)=O)CCC3)CCC[C@@H]12	ZINC001107594815	905883002	/nfs/dbraw/zinc/88/30/02/905883002.db2.gz	WKKHMCKEPXYTSG-NVXWUHKLSA-N	1	0	352.500	1.338	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1	ZINC001082135093	905940850	/nfs/dbraw/zinc/94/08/50/905940850.db2.gz	OJQZEDNJNFYMEC-IAOVAPTHSA-N	1	0	362.499	1.277	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)COc3cccc(C(N)=O)c3)CCC[C@@H]12	ZINC001107643809	906218945	/nfs/dbraw/zinc/21/89/45/906218945.db2.gz	UCNVTFQTRMYKKR-WIYYLYMNSA-N	1	0	369.465	1.548	20	30		FDEDRO
C=CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCNC(=O)C1CC1)CC2	ZINC001107651182	906229164	/nfs/dbraw/zinc/22/91/64/906229164.db2.gz	SODSPJIJKUMQCY-WRWLIDTKSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)CCCCCS(N)(=O)=O)CCC[C@@H]12	ZINC001107662969	906291435	/nfs/dbraw/zinc/29/14/35/906291435.db2.gz	NOMWHGLXRZBHQY-SJLPKXTDSA-N	1	0	371.547	1.772	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]2C)nc1	ZINC001080808197	906295692	/nfs/dbraw/zinc/29/56/92/906295692.db2.gz	NTEFNAWRBOHHMI-UWWQBHOKSA-N	1	0	354.454	1.029	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCc3cccs3)C[C@H]2OC)nn1	ZINC001082214456	906303956	/nfs/dbraw/zinc/30/39/56/906303956.db2.gz	YWDOYTIGIJLAIO-GDBMZVCRSA-N	1	0	361.471	1.197	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](CC3=CCCCC3)C[C@H]2OC)nn1	ZINC001082219139	906323089	/nfs/dbraw/zinc/32/30/89/906323089.db2.gz	WNUGTAYYOLNXRK-SJLPKXTDSA-N	1	0	359.474	1.784	20	30		FDEDRO
C#CCC[NH2+][C@H]1CCN(c2cccc(CNC(=O)[C@@H]3CCO[C@H]3C=C)n2)C1	ZINC001127845138	906704221	/nfs/dbraw/zinc/70/42/21/906704221.db2.gz	CPETYFLKIQGQGF-OTWHNJEPSA-N	1	0	368.481	1.481	20	30		FDEDRO
C#CCC[NH2+][C@H]1CCN(c2cccc(CNC(=O)[C@H]3OCC[C@H]3C)n2)C1	ZINC001127845630	906713549	/nfs/dbraw/zinc/71/35/49/906713549.db2.gz	KCAYCEDINLPBPR-AYBZRNKSSA-N	1	0	356.470	1.314	20	30		FDEDRO
COc1ccc(CN2C[C@@H](C)[C@H](NC(=O)C[NH+]3CCCC3)C2)cc1C#N	ZINC001080943115	906763299	/nfs/dbraw/zinc/76/32/99/906763299.db2.gz	QGKZPYIFYMFMPQ-CRAIPNDOSA-N	1	0	356.470	1.599	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H](OC)C3CCCC3)C[C@H]2OC)nc1	ZINC001082333604	906827739	/nfs/dbraw/zinc/82/77/39/906827739.db2.gz	QGARLRSIFSWVPZ-HSALFYBXSA-N	1	0	371.481	1.697	20	30		FDEDRO
CO[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001082326257	906905167	/nfs/dbraw/zinc/90/51/67/906905167.db2.gz	VUFBQODZZKTDLA-GUDVDZBRSA-N	1	0	356.470	1.215	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)cc1	ZINC000997010014	906922018	/nfs/dbraw/zinc/92/20/18/906922018.db2.gz	KDWXDTOMXPYPNQ-SJORKVTESA-N	1	0	354.454	1.540	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+][C@H]2CCN(C(C)(C)C)C2=O)CC1	ZINC000997011229	906923429	/nfs/dbraw/zinc/92/34/29/906923429.db2.gz	KLPJDBLCWIOHQT-IKGGRYGDSA-N	1	0	363.502	1.558	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2noc3c2COCC3)CC1	ZINC000997010959	906923446	/nfs/dbraw/zinc/92/34/46/906923446.db2.gz	FCMPCEQVQCRPSU-PBHICJAKSA-N	1	0	361.442	1.419	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1OC	ZINC001082345222	906934153	/nfs/dbraw/zinc/93/41/53/906934153.db2.gz	AMIMUWKGHSTDDY-VAMGGRTRSA-N	1	0	370.493	1.841	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN([C@@H](C)c3csnn3)C[C@H]2C)CC1	ZINC001080997607	906970963	/nfs/dbraw/zinc/97/09/63/906970963.db2.gz	GRGYCXDWJRFRLU-IJEWVQPXSA-N	1	0	361.515	1.381	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1	ZINC001081098735	907163476	/nfs/dbraw/zinc/16/34/76/907163476.db2.gz	KGMIKEAWKXWEBT-AYOQOUSVSA-N	1	0	364.449	1.629	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+]CCn2nc(C)nc2C)CC1	ZINC000997080344	907199230	/nfs/dbraw/zinc/19/92/30/907199230.db2.gz	OHTBJBNMWARONY-ROUUACIJSA-N	1	0	361.490	1.457	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC(=O)N2CCC2)CC1	ZINC000997084624	907216277	/nfs/dbraw/zinc/21/62/77/907216277.db2.gz	KGZNBFRPADLWFO-NXHRZFHOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CN2C(=O)CC(C)(C)C2=O)C[C@H]1c1ccccc1	ZINC001081116875	907222144	/nfs/dbraw/zinc/22/21/44/907222144.db2.gz	FFPAUJQHKCQQKB-DLBZAZTESA-N	1	0	369.465	1.542	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nc(C)c(C)[nH]c2=O)C[C@H]1c1ccccc1	ZINC001081132196	907231979	/nfs/dbraw/zinc/23/19/79/907231979.db2.gz	MIAZIOIOAVGGBO-DLBZAZTESA-N	1	0	350.422	1.218	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](OC)c2cnn(C)c2)C[C@H]1c1ccccc1	ZINC001081151985	907265517	/nfs/dbraw/zinc/26/55/17/907265517.db2.gz	XRHIWCKOBVYXCB-IPMKNSEASA-N	1	0	352.438	1.325	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2ccc[nH]2)C3)CC1	ZINC000997097679	907283167	/nfs/dbraw/zinc/28/31/67/907283167.db2.gz	YBYQDNYVKCLZDC-QYZOEREBSA-N	1	0	368.481	1.151	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc3nccnc3c2)C[C@H]1c1ccccc1	ZINC001081126974	907309746	/nfs/dbraw/zinc/30/97/46/907309746.db2.gz	NSMZAYYGVQHVRD-PKOBYXMFSA-N	1	0	357.417	1.856	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C(N)=O)C[C@H]1c1ccccc1	ZINC001081213608	907320862	/nfs/dbraw/zinc/32/08/62/907320862.db2.gz	HAVPCOMTWIBHJZ-RCCFBDPRSA-N	1	0	354.454	1.137	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C(C)=O)CCO2)C[C@H]1c1ccccc1	ZINC001081219511	907331072	/nfs/dbraw/zinc/33/10/72/907331072.db2.gz	GFMZRAGCTFMAEE-XUVXKRRUSA-N	1	0	371.481	1.394	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1c1ccccc1	ZINC001081179667	907351880	/nfs/dbraw/zinc/35/18/80/907351880.db2.gz	DMWACLPBOSMXTQ-RBUKOAKNSA-N	1	0	353.470	1.908	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c(C)c[nH]c2CC(N)=O)C[C@H]1c1ccccc1	ZINC001081185012	907357448	/nfs/dbraw/zinc/35/74/48/907357448.db2.gz	HQKALJICNZDUTM-FUHWJXTLSA-N	1	0	366.465	1.735	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cccc(C(N)=O)n2)C[C@H]1c1ccccc1	ZINC001081233137	907433430	/nfs/dbraw/zinc/43/34/30/907433430.db2.gz	SXQWLVNYXQHSLX-QFBILLFUSA-N	1	0	364.449	1.954	20	30		FDEDRO
C#CCC[NH2+]Cc1ccncc1O[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2CC)C1	ZINC001127888688	907495248	/nfs/dbraw/zinc/49/52/48/907495248.db2.gz	VTUQZFMBWHGYHD-OTWHNJEPSA-N	1	0	371.481	1.989	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1C	ZINC001082418585	907580832	/nfs/dbraw/zinc/58/08/32/907580832.db2.gz	NSURAEYCWOKPNY-RHSMWYFYSA-N	1	0	370.453	1.126	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1)n1cccn1	ZINC001082432105	907698860	/nfs/dbraw/zinc/69/88/60/907698860.db2.gz	CSBNWZMJJZXNQX-GPMSIDNRSA-N	1	0	367.453	1.983	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O	ZINC001077776527	907843670	/nfs/dbraw/zinc/84/36/70/907843670.db2.gz	UIIUASCCUWPSTQ-QHAWAJNXSA-N	1	0	369.509	1.462	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N[C@@H]2CN(Cc3ccc(C#N)s3)C[C@H]2O)CC1	ZINC001077778722	907867091	/nfs/dbraw/zinc/86/70/91/907867091.db2.gz	YNYOQFDNTTXZHL-IAGOWNOFSA-N	1	0	362.499	1.013	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]Cc1cc2n(n1)CCCC2	ZINC001082480034	907947428	/nfs/dbraw/zinc/94/74/28/907947428.db2.gz	AOIPEVOYYBWIQL-FZKQIMNGSA-N	1	0	352.442	1.669	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C)cc3)C[C@H]2O)cc1	ZINC001077795620	907994669	/nfs/dbraw/zinc/99/46/69/907994669.db2.gz	PTSVSHZPOIVLIJ-NHCUHLMSSA-N	1	0	364.445	1.982	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](OC)C3CC3)C[C@H]2C)cc1C#N	ZINC001082493930	908020631	/nfs/dbraw/zinc/02/06/31/908020631.db2.gz	QERPFUAKDMXFSV-XVSDVWIESA-N	1	0	357.454	1.928	20	30		FDEDRO
CCn1ncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)n1	ZINC001082500669	908087802	/nfs/dbraw/zinc/08/78/02/908087802.db2.gz	JHYBMRWGRROYSV-RDTXWAMCSA-N	1	0	368.441	1.451	20	30		FDEDRO
CCn1ncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)n1	ZINC001082500709	908088541	/nfs/dbraw/zinc/08/85/41/908088541.db2.gz	OCNQHIVXCLJHRB-SJKOYZFVSA-N	1	0	356.405	1.559	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@H]2O)cc1	ZINC001077797745	908136571	/nfs/dbraw/zinc/13/65/71/908136571.db2.gz	FSNPJGAMZSGGJH-IAGOWNOFSA-N	1	0	364.392	1.519	20	30		FDEDRO
C[C@@H]1CN(C(=O)CO[C@@H]2CCOC2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082507794	908149148	/nfs/dbraw/zinc/14/91/48/908149148.db2.gz	FLLLVVVNLNHXNB-MZMPZRCHSA-N	1	0	361.417	1.439	20	30		FDEDRO
CCn1ccc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)n1	ZINC001082523354	908240321	/nfs/dbraw/zinc/24/03/21/908240321.db2.gz	MDYVMMJNNKLVBZ-DNVCBOLYSA-N	1	0	351.454	1.954	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cccn2C)CC1	ZINC000997358286	908315373	/nfs/dbraw/zinc/31/53/73/908315373.db2.gz	XSKSEDKCFWJUFR-SQNIBIBYSA-N	1	0	368.481	1.232	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2(C)CC(=C)C2)CC1	ZINC000997357364	908324146	/nfs/dbraw/zinc/32/41/46/908324146.db2.gz	KPOGCVNBHLMDAO-QYZOEREBSA-N	1	0	369.509	1.936	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2(C)CCC2)CC1	ZINC000997357984	908327842	/nfs/dbraw/zinc/32/78/42/908327842.db2.gz	SOXPLKGTUYOESF-SQNIBIBYSA-N	1	0	357.498	1.770	20	30		FDEDRO
CCN1C[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)CC1=O	ZINC001082542503	908415435	/nfs/dbraw/zinc/41/54/35/908415435.db2.gz	KLKPJXDPXXAGKB-FHLIZLRMSA-N	1	0	354.454	1.363	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2ccccc2=O)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082543410	908424247	/nfs/dbraw/zinc/42/42/47/908424247.db2.gz	TULFKJKTFOUARD-RHSMWYFYSA-N	1	0	370.478	1.808	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2c[nH]cn2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082549699	908491101	/nfs/dbraw/zinc/49/11/01/908491101.db2.gz	VEFYHFYOTYRZMR-DNVCBOLYSA-N	1	0	367.453	1.881	20	30		FDEDRO
Cc1c(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)s3)C2)cnn1C	ZINC001082551938	908513578	/nfs/dbraw/zinc/51/35/78/908513578.db2.gz	OSRLCOGUTUVBGK-SJKOYZFVSA-N	1	0	357.483	1.841	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc4c(o3)CCCC4)C[C@H]2C)C1=O	ZINC001082553244	908528601	/nfs/dbraw/zinc/52/86/01/908528601.db2.gz	UYUIVSQKIRHHIH-DJIMGWMZSA-N	1	0	371.481	1.995	20	30		FDEDRO
COCCNS(=O)(=O)c1ccc(C[NH2+]Cc2csc(C#N)c2)cc1	ZINC000921609949	908563653	/nfs/dbraw/zinc/56/36/53/908563653.db2.gz	VYQYFWHFKHZCOW-UHFFFAOYSA-N	1	0	365.480	1.834	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cccnc2C)C[C@H]1O	ZINC001077807223	908754119	/nfs/dbraw/zinc/75/41/19/908754119.db2.gz	HHJCYPFAMXRFKR-MANSERQUSA-N	1	0	359.470	1.423	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082578697	908763491	/nfs/dbraw/zinc/76/34/91/908763491.db2.gz	AJEQYHOJVONFAY-BDJLRTHQSA-N	1	0	355.373	1.443	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3Cc2cccc(C#N)c2)O1	ZINC001032473254	908780290	/nfs/dbraw/zinc/78/02/90/908780290.db2.gz	HMCVFABRBBHCGI-GRGSLBFTSA-N	1	0	354.454	1.062	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082590251	908846066	/nfs/dbraw/zinc/84/60/66/908846066.db2.gz	LOMSZLKUPPZWLX-TWKYDXJASA-N	1	0	374.460	1.353	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn3c(n2)COCC3)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082594491	908883162	/nfs/dbraw/zinc/88/31/62/908883162.db2.gz	ZMDJZLWBGZULDC-RHSMWYFYSA-N	1	0	365.437	1.535	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCn3ccnc3C2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082604472	908926176	/nfs/dbraw/zinc/92/61/76/908926176.db2.gz	RHSAJGAFJMFHHQ-AYOQOUSVSA-N	1	0	363.465	1.954	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)C(C)(C)c3cccnc3)C[C@H]2C)C1=O	ZINC001082608537	908985147	/nfs/dbraw/zinc/98/51/47/908985147.db2.gz	DGXIMEQGSLSSIT-BPQIPLTHSA-N	1	0	370.497	1.583	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1C	ZINC001082610988	909003592	/nfs/dbraw/zinc/00/35/92/909003592.db2.gz	MAHYMGBWSJZUPE-FRFSOERESA-N	1	0	370.453	1.030	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082610992	909004145	/nfs/dbraw/zinc/00/41/45/909004145.db2.gz	MBHFLRSWSNBBFQ-HACGYAERSA-N	1	0	358.417	1.160	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1OC)OCC	ZINC001212354661	909069432	/nfs/dbraw/zinc/06/94/32/909069432.db2.gz	FXMSFKPFWWFLTH-IXDOHACOSA-N	1	0	350.463	1.070	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCC[N@H+]1C	ZINC000997542976	909094506	/nfs/dbraw/zinc/09/45/06/909094506.db2.gz	IEKCNWCBVGVYFW-CVYDXHPNSA-N	1	0	356.470	1.630	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1C	ZINC001082632166	909184757	/nfs/dbraw/zinc/18/47/57/909184757.db2.gz	MIPVUZPSBLEPDF-PSASIEDQSA-N	1	0	356.220	1.337	20	30		FDEDRO
COc1cnc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)nc1	ZINC001082633675	909198605	/nfs/dbraw/zinc/19/86/05/909198605.db2.gz	DTOGCLWYFRPYCI-CXAGYDPISA-N	1	0	351.410	1.607	20	30		FDEDRO
C=CCn1c(-c2cccn2C)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000282188664	909237530	/nfs/dbraw/zinc/23/75/30/909237530.db2.gz	FZMIGKZOLHBNHG-INIZCTEOSA-N	1	0	356.474	1.628	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCc2nnc(C[NH2+]CCC)n2CC1	ZINC001127990684	909384975	/nfs/dbraw/zinc/38/49/75/909384975.db2.gz	HYEXASJHNMUOFB-OAGGEKHMSA-N	1	0	361.490	1.580	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCc2ccccc2C)C[C@@H]1O	ZINC001083789964	909478963	/nfs/dbraw/zinc/47/89/63/909478963.db2.gz	HOGKQTSKSRBKES-ZRNYENFQSA-N	1	0	358.482	1.680	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082688941	909578903	/nfs/dbraw/zinc/57/89/03/909578903.db2.gz	SVFDBCYJAAALCA-JLZZUVOBSA-N	1	0	358.417	1.255	20	30		FDEDRO
O=C(C#CC1CC1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3ccnc3C1)C2	ZINC000997747199	909593290	/nfs/dbraw/zinc/59/32/90/909593290.db2.gz	DQOLSGKNMMSECV-YVSFHVDLSA-N	1	0	352.438	1.107	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)C1	ZINC001082681986	909601112	/nfs/dbraw/zinc/60/11/12/909601112.db2.gz	JMSQOWWAKGKIPM-BZUAXINKSA-N	1	0	356.532	1.850	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082700097	909676799	/nfs/dbraw/zinc/67/67/99/909676799.db2.gz	ZQQILIGVJKDWDG-CSMYWGQOSA-N	1	0	358.417	1.255	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)C3(C(C)(F)F)CC3)C[C@H]2C)C1=O	ZINC001082746955	909688230	/nfs/dbraw/zinc/68/82/30/909688230.db2.gz	MUKCKPSAZCHOAK-HZSPNIEDSA-N	1	0	355.429	1.645	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccoc2CC(N)=O)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082708631	909747344	/nfs/dbraw/zinc/74/73/44/909747344.db2.gz	DWOAWBZOJIBGLT-CXAGYDPISA-N	1	0	366.421	1.429	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCS2(=O)=O)C1	ZINC001082721845	909827328	/nfs/dbraw/zinc/82/73/28/909827328.db2.gz	MKRGMEJEHDWTTG-BFYDXBDKSA-N	1	0	357.520	1.061	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)NC(C)(C)C2=O)C1	ZINC001082722699	909833550	/nfs/dbraw/zinc/83/35/50/909833550.db2.gz	DBYPABRFCQPOAV-LPMFXHHGSA-N	1	0	364.490	1.356	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC[C@H]3CCS(=O)(=O)C3)C2)C1	ZINC001082727600	909854186	/nfs/dbraw/zinc/85/41/86/909854186.db2.gz	GTUONHBJXLTQBX-OWCLPIDISA-N	1	0	354.516	1.604	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@H]3CCCS(=O)(=O)C3)C2)C1	ZINC001082729147	909858232	/nfs/dbraw/zinc/85/82/32/909858232.db2.gz	ANBXGFYVXWNMEC-BZUAXINKSA-N	1	0	354.516	1.604	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccnc3OC)C2)c1	ZINC001082730125	909863071	/nfs/dbraw/zinc/86/30/71/909863071.db2.gz	BPLKCKPUQHXNHW-RDTXWAMCSA-N	1	0	350.422	1.717	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCc3cnn(CC)c3)C2)c1	ZINC001082730471	909866478	/nfs/dbraw/zinc/86/64/78/909866478.db2.gz	WONJMLZYYTVTNB-DNVCBOLYSA-N	1	0	351.454	1.572	20	30		FDEDRO
C=CCC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)CC2	ZINC001128004717	909867854	/nfs/dbraw/zinc/86/78/54/909867854.db2.gz	DJQQNOFLPCLABH-RBSFLKMASA-N	1	0	369.473	1.292	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc(=O)n2C)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082731645	909876347	/nfs/dbraw/zinc/87/63/47/909876347.db2.gz	LCJZEFOPMDTJHC-CXAGYDPISA-N	1	0	368.412	1.646	20	30		FDEDRO
C=CCNCc1nnc2n1CC[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CC2	ZINC001128006365	909891235	/nfs/dbraw/zinc/89/12/35/909891235.db2.gz	RUKGSPCQAIEXIC-HRCADAONSA-N	1	0	360.506	1.105	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)CCc3cc(C)on3)C[C@H]2C)C1=O	ZINC001082733625	909892173	/nfs/dbraw/zinc/89/21/73/909892173.db2.gz	JQPLJLWKTKXYTP-XOKHGSTOSA-N	1	0	360.458	1.139	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](OC)C1	ZINC000946429792	909992646	/nfs/dbraw/zinc/99/26/46/909992646.db2.gz	AURSPGNPZYOUHP-HLIPFELVSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](OC)C1	ZINC000946429793	909993082	/nfs/dbraw/zinc/99/30/82/909993082.db2.gz	AURSPGNPZYOUHP-MBOZVWFJSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCc3ccccc3F)C2)nn1	ZINC001082791196	910192103	/nfs/dbraw/zinc/19/21/03/910192103.db2.gz	FTQZJPOFKNGIMW-RHSMWYFYSA-N	1	0	357.433	1.896	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(C)c(C)s3)C2)nn1	ZINC001082791514	910193755	/nfs/dbraw/zinc/19/37/55/910193755.db2.gz	SOBUIOSEEJCGTF-BXUZGUMPSA-N	1	0	360.487	1.788	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C)(C)N2CCOCC2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082807817	910265487	/nfs/dbraw/zinc/26/54/87/910265487.db2.gz	DZSIOPDKQZPJHV-VQIMIIECSA-N	1	0	370.497	1.606	20	30		FDEDRO
CC(C)n1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)nn1	ZINC001082829931	910352450	/nfs/dbraw/zinc/35/24/50/910352450.db2.gz	VUBOMGRILMQNNH-RHSMWYFYSA-N	1	0	352.442	1.981	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nccn2C)C1	ZINC001082851731	910465101	/nfs/dbraw/zinc/46/51/01/910465101.db2.gz	ZALMEXZNCZSCDS-HUUCEWRRSA-N	1	0	355.442	1.630	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082868961	910510068	/nfs/dbraw/zinc/51/00/68/910510068.db2.gz	GPSULBVPWMMWGI-FZKQIMNGSA-N	1	0	368.412	1.646	20	30		FDEDRO
C=CCC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CC2	ZINC001128021278	910568584	/nfs/dbraw/zinc/56/85/84/910568584.db2.gz	XQDQVNSUWCUHSB-GNRYUNBRSA-N	1	0	371.485	1.188	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cncc(OC)n2)C1	ZINC001082885027	910665249	/nfs/dbraw/zinc/66/52/49/910665249.db2.gz	YSCCGYJXIVFLPW-DNVCBOLYSA-N	1	0	364.449	1.646	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082903611	910793784	/nfs/dbraw/zinc/79/37/84/910793784.db2.gz	RRGAVAJINAIXGB-SJKOYZFVSA-N	1	0	369.400	1.041	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)cc2)C[C@H]1C	ZINC001082914410	910835791	/nfs/dbraw/zinc/83/57/91/910835791.db2.gz	NUEVBBYUFQQFIT-QMTHXVAHSA-N	1	0	366.259	1.744	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NCc3coc(C4CC4)n3)C2)CC1	ZINC001082941046	911016236	/nfs/dbraw/zinc/01/62/36/911016236.db2.gz	LLPITXFFAZHQES-DNVCBOLYSA-N	1	0	370.497	1.834	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@H](C)N2CCOCC2)C[C@H]1C	ZINC001082964311	911180778	/nfs/dbraw/zinc/18/07/78/911180778.db2.gz	XGWYMHWTUYBUJI-KWCYVHTRSA-N	1	0	360.296	1.052	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cn(C)nn2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082962065	911185894	/nfs/dbraw/zinc/18/58/94/911185894.db2.gz	MRFRGNWQGQIDCC-FZKQIMNGSA-N	1	0	370.432	1.395	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCCCc1c[nH]nn1	ZINC000273188007	911191219	/nfs/dbraw/zinc/19/12/19/911191219.db2.gz	HQIILYBSYODTML-UHFFFAOYSA-N	1	0	354.458	1.980	20	30		FDEDRO
C=CCn1cccc1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2	ZINC000998652687	911392577	/nfs/dbraw/zinc/39/25/77/911392577.db2.gz	DWAFJKRTPAWHQJ-IKGGRYGDSA-N	1	0	368.481	1.632	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3cccn4ccnc34)C2)s1	ZINC001077830697	911577690	/nfs/dbraw/zinc/57/76/90/911577690.db2.gz	YQFSYWGADVEASU-HZPDHXFCSA-N	1	0	367.434	1.243	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)C4CC(C)(C)C4)[C@H]3C2)C1=O	ZINC001083070160	911667747	/nfs/dbraw/zinc/66/77/47/911667747.db2.gz	KVKFIJKDNGMZTG-YESZJQIVSA-N	1	0	361.486	1.121	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccn(C)c(=O)c2)C1	ZINC000998789078	911680524	/nfs/dbraw/zinc/68/05/24/911680524.db2.gz	XAKSYZFVWRNTQH-HIEASXQVSA-N	1	0	359.470	1.446	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CCCC[N@H+]2C)nc1	ZINC000998951682	911903111	/nfs/dbraw/zinc/90/31/11/911903111.db2.gz	GGYKFRLQHXOAHY-XGXHKWSGSA-N	1	0	366.465	1.409	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@@H+](C)C2CCC2)cn1	ZINC000998955427	911923660	/nfs/dbraw/zinc/92/36/60/911923660.db2.gz	XEKYSUIAPFOPOK-QYZOEREBSA-N	1	0	366.465	1.409	20	30		FDEDRO
CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(C#N)c1)[NH+]1CCCC1	ZINC000999114090	912084308	/nfs/dbraw/zinc/08/43/08/912084308.db2.gz	AQXXXPWHSDDOSQ-IKGGRYGDSA-N	1	0	369.469	1.622	20	30		FDEDRO
Cn1ccnc1CCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001084540191	915262083	/nfs/dbraw/zinc/26/20/83/915262083.db2.gz	ZLYSGLQQUKDXBQ-RTBURBONSA-N	1	0	363.465	1.957	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](C[C@@H]4CCNC(=O)CC4)C[C@H]32)cc1	ZINC001084567910	915400171	/nfs/dbraw/zinc/40/01/71/915400171.db2.gz	PCDGDCKVEWVWIQ-DFQSSKMNSA-N	1	0	365.477	1.731	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](CCN4CCCC4=O)C[C@H]32)cc1	ZINC001084567603	915400586	/nfs/dbraw/zinc/40/05/86/915400586.db2.gz	BUNNAKCXWKOKID-RTBURBONSA-N	1	0	351.450	1.437	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000730098177	916120616	/nfs/dbraw/zinc/12/06/16/916120616.db2.gz	YJWFSBWHKQFCCA-NRFANRHFSA-N	1	0	368.525	1.538	20	30		FDEDRO
C#CCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1C	ZINC000730143499	916187151	/nfs/dbraw/zinc/18/71/51/916187151.db2.gz	VXVRDDNCTWKFGP-INIZCTEOSA-N	1	0	372.494	1.628	20	30		FDEDRO
N#Cc1ccccc1CN1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1	ZINC001084777571	917051354	/nfs/dbraw/zinc/05/13/54/917051354.db2.gz	DPIZYQFSWYBBBC-RTBURBONSA-N	1	0	350.466	1.687	20	30		FDEDRO
CC(=O)N1CC[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1	ZINC001084800543	917217648	/nfs/dbraw/zinc/21/76/48/917217648.db2.gz	MPWUGEZYAUTBLF-HSALFYBXSA-N	1	0	366.465	1.459	20	30		FDEDRO
C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC000730915671	917470628	/nfs/dbraw/zinc/47/06/28/917470628.db2.gz	NGYLGDOEFYGKOF-GASCZTMLSA-N	1	0	358.442	1.907	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4cnc(C)o4)C[C@H]32)CC1	ZINC001084850979	917657003	/nfs/dbraw/zinc/65/70/03/917657003.db2.gz	HGKXRMWUUPVVIT-IEBWSBKVSA-N	1	0	356.470	1.361	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN([C@H](C)c4ncc(C)o4)C[C@H]32)CC1	ZINC001084851104	917659023	/nfs/dbraw/zinc/65/90/23/917659023.db2.gz	MYTGPSNNOTZUKE-BHIYHBOVSA-N	1	0	370.497	1.922	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN([C@@H](C)c4ncccn4)C[C@H]32)CC1	ZINC001084851177	917659040	/nfs/dbraw/zinc/65/90/40/917659040.db2.gz	PYCYSODSMHBATO-QXAKKESOSA-N	1	0	367.497	1.416	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4ocnc4C)C[C@H]32)CC1	ZINC001084851212	917660296	/nfs/dbraw/zinc/66/02/96/917660296.db2.gz	SCVUDFXFARNLRP-QZTJIDSGSA-N	1	0	356.470	1.361	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4ccccn4)C[C@H]32)CC1	ZINC001084851363	917660867	/nfs/dbraw/zinc/66/08/67/917660867.db2.gz	ZBFOKOPPUMIVTI-UYAOXDASSA-N	1	0	352.482	1.460	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CCC(=O)N4)C[C@@H]32)cc1F	ZINC001084905017	918191466	/nfs/dbraw/zinc/19/14/66/918191466.db2.gz	OWFZMRLZJODYER-OLMNPRSZSA-N	1	0	370.428	1.399	20	30		FDEDRO
CN1CCO[C@@H](C(=O)N2CC[C@H]3CCN(Cc4ccccc4C#N)[C@H]3C2)C1	ZINC001084911309	918248714	/nfs/dbraw/zinc/24/87/14/918248714.db2.gz	WZDZQXZOLAIWMP-LSTHTHJFSA-N	1	0	368.481	1.312	20	30		FDEDRO
Cc1nn(C)cc1C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]21	ZINC001084923502	918333866	/nfs/dbraw/zinc/33/38/66/918333866.db2.gz	UVPIHWVWIIKLCX-KDOFPFPSSA-N	1	0	352.442	1.665	20	30		FDEDRO
Cc1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]32)ncn1	ZINC001084925750	918360074	/nfs/dbraw/zinc/36/00/74/918360074.db2.gz	YUNVZYSORJJKNG-KDOFPFPSSA-N	1	0	350.426	1.721	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]32)C1=O	ZINC001084921547	918362692	/nfs/dbraw/zinc/36/26/92/918362692.db2.gz	FTDRGGLPLLKRDZ-QGTPRVQTSA-N	1	0	367.453	1.210	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)Cc4ccoc4)C[C@@H]32)C1=O	ZINC001084927108	918407649	/nfs/dbraw/zinc/40/76/49/918407649.db2.gz	OKGYCWKYDDAGMT-BZSNNMDCSA-N	1	0	357.454	1.532	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4nccc(C)n4)C[C@@H]32)C1=O	ZINC001084930250	918452259	/nfs/dbraw/zinc/45/22/59/918452259.db2.gz	ZQCHAIYZNZBPKD-BBWFWOEESA-N	1	0	369.469	1.108	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3c(C)nc(=O)[nH]c3C)C[C@@H]21	ZINC001084957595	918841230	/nfs/dbraw/zinc/84/12/30/918841230.db2.gz	IZKPIVLEMRWXFL-AEFFLSMTSA-N	1	0	356.470	1.678	20	30		FDEDRO
COc1cc(OC)c(OC)cc1C=NNC(=S)NCCC[NH+](C)C	ZINC000731928970	918852188	/nfs/dbraw/zinc/85/21/88/918852188.db2.gz	SMSDSQKEZNKCHT-UHFFFAOYSA-N	1	0	354.476	1.462	20	30		FDEDRO
O=C([C@H]1CCCC(=O)N1)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001084966790	918919993	/nfs/dbraw/zinc/91/99/93/918919993.db2.gz	IZNWBDNZYDVJFH-AQNXPRMDSA-N	1	0	365.477	1.630	20	30		FDEDRO
O=C([C@@H]1CCCNC1=O)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001084964497	918923804	/nfs/dbraw/zinc/92/38/04/918923804.db2.gz	BIYWIQNVHBBLHB-AQNXPRMDSA-N	1	0	365.477	1.487	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnc4ccccn4c3=O)C[C@@H]21	ZINC001084973226	918989366	/nfs/dbraw/zinc/98/93/66/918989366.db2.gz	ABTDYDSGDAIJHX-WBVHZDCISA-N	1	0	350.422	1.254	20	30		FDEDRO
CN(CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000732214801	919216622	/nfs/dbraw/zinc/21/66/22/919216622.db2.gz	XTHBYRNDNIZBRD-GDBMZVCRSA-N	1	0	365.437	1.680	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C3(n4cnnn4)CCCCC3)C[C@@H]21	ZINC001085003766	919528584	/nfs/dbraw/zinc/52/85/84/919528584.db2.gz	OUAHYLJYAOKKDY-SJORKVTESA-N	1	0	356.474	1.279	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cocc4C)C[C@@H]32)C1=O	ZINC001085009225	919561321	/nfs/dbraw/zinc/56/13/21/919561321.db2.gz	QXQPYNYNICXPCJ-SZMVWBNQSA-N	1	0	357.454	1.911	20	30		FDEDRO
CN1C[C@@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4cccc(C#N)c4)[C@H]3C2)NC1=O	ZINC001085006484	919575363	/nfs/dbraw/zinc/57/53/63/919575363.db2.gz	BDRVSHUKVNATCZ-SQNIBIBYSA-N	1	0	367.453	1.005	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)[C@H]2C1	ZINC001085023557	919788915	/nfs/dbraw/zinc/78/89/15/919788915.db2.gz	JWVHTHSJOKBWTK-GUXCAODWSA-N	1	0	361.486	1.661	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCCC4)O3)C[C@@H]21	ZINC001085031521	919886515	/nfs/dbraw/zinc/88/65/15/919886515.db2.gz	ACVJNJDWMIKDHT-XDNAFOTISA-N	1	0	361.486	1.265	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCc3cnn(CC)c3)[C@H]2C1	ZINC001085037924	919965897	/nfs/dbraw/zinc/96/58/97/919965897.db2.gz	LCOVTYUBSAAQCB-ZRNYENFQSA-N	1	0	372.513	1.959	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cc(C)[nH]c4C)C[C@@H]32)C1=O	ZINC001085044506	920008130	/nfs/dbraw/zinc/00/81/30/920008130.db2.gz	YGMIOMQQDOBJSR-UHOSZYNNSA-N	1	0	370.497	1.955	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3nnn(C)c3C(F)(F)F)C[C@@H]21	ZINC001085051823	920098648	/nfs/dbraw/zinc/09/86/48/920098648.db2.gz	LDJXKANBECPZAJ-NEPJUHHUSA-N	1	0	355.364	1.394	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3CC[N@H+](CC[C@H]4CCOC4)[C@H]3C2)nn1	ZINC001085051926	920101028	/nfs/dbraw/zinc/10/10/28/920101028.db2.gz	SDUBMOZXWVCMIT-JZXOWHBKSA-N	1	0	359.474	1.427	20	30		FDEDRO
N#CCC[C@@H](C#N)C[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1	ZINC000732918565	920305811	/nfs/dbraw/zinc/30/58/11/920305811.db2.gz	OHNQTVKGXXWBMS-LBPRGKRZSA-N	1	0	352.382	1.581	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cn(CC)cn4)C[C@@H]32)C1=O	ZINC001085076263	920560678	/nfs/dbraw/zinc/56/06/78/920560678.db2.gz	VHXWVSBOSHYNMN-JQHSSLGASA-N	1	0	371.485	1.226	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)COc3cccc(C(N)=O)c3)C[C@@H]21	ZINC001085099432	920902765	/nfs/dbraw/zinc/90/27/65/920902765.db2.gz	RZGGFCBBVORBKK-QAPCUYQASA-N	1	0	355.438	1.110	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCCN3C(=O)C(C)C)C[C@@H]21	ZINC001085099990	920906960	/nfs/dbraw/zinc/90/69/60/920906960.db2.gz	XFGXOPGRIAPEQM-QRVBRYPASA-N	1	0	359.514	1.970	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC)[C@H]3C2)cc1	ZINC001085102904	920962694	/nfs/dbraw/zinc/96/26/94/920962694.db2.gz	FGRBWJZWLMTJCV-MJGOQNOKSA-N	1	0	371.481	1.463	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(F)nc2)C1=O	ZINC001085153389	921831856	/nfs/dbraw/zinc/83/18/56/921831856.db2.gz	QSXCLLLQKLQGNN-OAGGEKHMSA-N	1	0	360.433	1.638	20	30		FDEDRO
Cc1c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2F)nnn1C	ZINC001085158636	921868963	/nfs/dbraw/zinc/86/89/63/921868963.db2.gz	NJTYOQZNEJRNEH-IAGOWNOFSA-N	1	0	370.432	1.965	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)n1cncn1	ZINC001085175177	921997771	/nfs/dbraw/zinc/99/77/71/921997771.db2.gz	GYRCXRTYPITBMB-YNEHKIRRSA-N	1	0	356.268	1.765	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2COC(=O)N2)cc1F	ZINC001085186602	922113635	/nfs/dbraw/zinc/11/36/35/922113635.db2.gz	AHCOMEGDKHDQJN-BZUAXINKSA-N	1	0	360.389	1.323	20	30		FDEDRO
CC#CCCCC(=O)N1CCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001065483257	922317631	/nfs/dbraw/zinc/31/76/31/922317631.db2.gz	GNGSQTCKWKHVHT-FGTMMUONSA-N	1	0	363.502	1.254	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3c2ncccc2C#N)CC[N@@H+]1C	ZINC001066198646	922590121	/nfs/dbraw/zinc/59/01/21/922590121.db2.gz	OXOISLWKVSJCAH-BGTYHANMSA-N	1	0	353.470	1.863	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)CC[NH+](C)C)CC1	ZINC001066217856	922612487	/nfs/dbraw/zinc/61/24/87/922612487.db2.gz	UHLBDYXCBLAQJZ-BBWFWOEESA-N	1	0	351.491	1.417	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CCN3c2ccc(C#N)cn2)CC[N@@H+]1C	ZINC001066202718	922623903	/nfs/dbraw/zinc/62/39/03/922623903.db2.gz	MNKKDTGGVGVFCR-NRSFXHEJSA-N	1	0	353.470	1.863	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3c2nccnc2C#N)CC[N@@H+]1C	ZINC001066203811	922627846	/nfs/dbraw/zinc/62/78/46/922627846.db2.gz	XAUCHHCJMMYFAQ-DZOHQFGASA-N	1	0	368.485	1.648	20	30		FDEDRO
CNC(=O)C1([NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCCC1	ZINC000733999788	922820434	/nfs/dbraw/zinc/82/04/34/922820434.db2.gz	MVEPBOXAJXKFEY-CQSZACIVSA-N	1	0	363.421	1.872	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnn3c2CCC3)C1=O	ZINC001085219172	922874384	/nfs/dbraw/zinc/87/43/84/922874384.db2.gz	KLNIOSYWJANRLD-BRWVUGGUSA-N	1	0	371.485	1.247	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cncc(F)c1	ZINC001085229853	922983065	/nfs/dbraw/zinc/98/30/65/922983065.db2.gz	NJKLYIRKBZNYQY-QRVBRYPASA-N	1	0	358.461	1.835	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1OCCO[C@H]1C	ZINC001085230424	922988765	/nfs/dbraw/zinc/98/87/65/922988765.db2.gz	VYXPZUVJCFOSIP-DGAVXFQQSA-N	1	0	361.280	1.716	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000734162968	922998520	/nfs/dbraw/zinc/99/85/20/922998520.db2.gz	ROTSZABUTCQOAE-CALCHBBNSA-N	1	0	359.470	1.997	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cn[nH]c(=O)c1	ZINC001085235269	923054075	/nfs/dbraw/zinc/05/40/75/923054075.db2.gz	MTAVCYGAHSXXEQ-IAGOWNOFSA-N	1	0	351.410	1.885	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCCN(C)C2=O)cc1	ZINC001085293608	923611148	/nfs/dbraw/zinc/61/11/48/923611148.db2.gz	QNHZUMJGXBGFKQ-GUDVDZBRSA-N	1	0	353.466	1.919	20	30		FDEDRO
CN1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)NC1=O	ZINC001085297479	923630925	/nfs/dbraw/zinc/63/09/25/923630925.db2.gz	IOLGLYMCJSBAKF-ZACQAIPSSA-N	1	0	355.442	1.099	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2conc2CC)C1=O	ZINC001085323977	923861654	/nfs/dbraw/zinc/86/16/54/923861654.db2.gz	JRFYJIIPPWRZTR-ZACQAIPSSA-N	1	0	360.458	1.655	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCN(C(C)C)C2=O)c1	ZINC001085326606	923887984	/nfs/dbraw/zinc/88/79/84/923887984.db2.gz	XXFHPDBKICDHQB-QRVBRYPASA-N	1	0	368.481	1.703	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCN(CC=C)C2=O)c1	ZINC001085326020	923916666	/nfs/dbraw/zinc/91/66/66/923916666.db2.gz	RQRBBGOYMBMDAJ-QRVBRYPASA-N	1	0	366.465	1.480	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1	ZINC001085330452	923929841	/nfs/dbraw/zinc/92/98/41/923929841.db2.gz	IVUMWNPIIHBJFO-ZJPYXAASSA-N	1	0	363.502	1.750	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(C2CC2)[nH]1	ZINC001085338183	924020372	/nfs/dbraw/zinc/02/03/72/924020372.db2.gz	RMDYJPMKFQQSAD-FPCVCCKLSA-N	1	0	359.474	1.790	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c(C)c[nH]c1CC(N)=O	ZINC001085339409	924032192	/nfs/dbraw/zinc/03/21/92/924032192.db2.gz	KQOBIFJPBLGLOC-CHWSQXEVSA-N	1	0	352.866	1.734	20	30		FDEDRO
CCOCCC[N@@H+]1CCC(=NNC(=S)NC[C@H]2CCCO2)[C@@H](C)C1	ZINC000735227461	924135647	/nfs/dbraw/zinc/13/56/47/924135647.db2.gz	CODAOSRXEVHUSH-LSDHHAIUSA-N	1	0	356.536	1.754	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCN(C)C2=O)cc1	ZINC001085356377	924160176	/nfs/dbraw/zinc/16/01/76/924160176.db2.gz	UAQUBBRGLGLMBU-GUDVDZBRSA-N	1	0	369.465	1.560	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccn(CC)n2)C1=O	ZINC001085353155	924161755	/nfs/dbraw/zinc/16/17/55/924161755.db2.gz	QGQMICNTNJEFOL-BFYDXBDKSA-N	1	0	359.474	1.321	20	30		FDEDRO
Cn1ncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2F)n1	ZINC001085363044	924237384	/nfs/dbraw/zinc/23/73/84/924237384.db2.gz	IJOXBZVSSWDOQP-HZPDHXFCSA-N	1	0	356.405	1.657	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCCS(=O)(=O)C1	ZINC001085386185	924370391	/nfs/dbraw/zinc/37/03/91/924370391.db2.gz	KQUCPDNCSRTEEK-RRFJBIMHSA-N	1	0	362.923	1.971	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnn1C	ZINC001085397838	924444591	/nfs/dbraw/zinc/44/45/91/924444591.db2.gz	ZOHWEXOHEQLUHR-QZTJIDSGSA-N	1	0	367.453	1.658	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(C)n(C)n2)cn1	ZINC001085398828	924449508	/nfs/dbraw/zinc/44/95/08/924449508.db2.gz	CBXOVVUXMTVUKU-RTBURBONSA-N	1	0	351.454	1.936	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCCC1	ZINC001085406011	924480866	/nfs/dbraw/zinc/48/08/66/924480866.db2.gz	KLAMOCYCUMYAOX-WOJBJXKFSA-N	1	0	367.493	1.850	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)N1CCOCC1	ZINC001085429950	924653101	/nfs/dbraw/zinc/65/31/01/924653101.db2.gz	PLTCOSKGBYTTJK-BRWVUGGUSA-N	1	0	355.910	1.867	20	30		FDEDRO
C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000735939669	924685765	/nfs/dbraw/zinc/68/57/65/924685765.db2.gz	RIGSPQLVXWNRPN-MRXNPFEDSA-N	1	0	359.426	1.454	20	30		FDEDRO
CC[N@H+](C[C@H]1CCOC1)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O	ZINC000738084092	925090974	/nfs/dbraw/zinc/09/09/74/925090974.db2.gz	YSKZJXPUJWRFKG-BEFAXECRSA-N	1	0	356.426	1.641	20	30		FDEDRO
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC[N@H+](C[C@H]2CCCO2)CC1	ZINC000739916253	925322620	/nfs/dbraw/zinc/32/26/20/925322620.db2.gz	WDSAITAIXGUNII-RTBURBONSA-N	1	0	357.454	1.959	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccn(C)c(=O)c1	ZINC001085869119	925356305	/nfs/dbraw/zinc/35/63/05/925356305.db2.gz	IUEQZNNBWDTIDN-LNLFQRSKSA-N	1	0	359.470	1.399	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CNC(=O)N2CCc3ccccc3C2)CC1	ZINC000740736097	925419955	/nfs/dbraw/zinc/41/99/55/925419955.db2.gz	DHAYDJPNTVZVJP-UHFFFAOYSA-N	1	0	368.481	1.358	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1	ZINC000740736729	925421028	/nfs/dbraw/zinc/42/10/28/925421028.db2.gz	KGRMXEOVOMYJSK-UHFFFAOYSA-N	1	0	363.483	1.154	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000741318219	925705266	/nfs/dbraw/zinc/70/52/66/925705266.db2.gz	MFBKXFZSUVSSBY-NVXWUHKLSA-N	1	0	373.453	1.842	20	30		FDEDRO
N#CCOc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1	ZINC001086082987	925917572	/nfs/dbraw/zinc/91/75/72/925917572.db2.gz	JVNJCVZBTLEUHS-YALNPMBYSA-N	1	0	358.398	1.239	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)c2ccccc2F)[C@@H](n2ccnn2)C1	ZINC001129326321	925931676	/nfs/dbraw/zinc/93/16/76/925931676.db2.gz	FXMGSIQISFGJLO-IPELMVKDSA-N	1	0	369.444	1.976	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nnc(C(C)C)[nH]2)C1	ZINC001086089150	925944224	/nfs/dbraw/zinc/94/42/24/925944224.db2.gz	KGMDJGYVLBNKGR-QXSJWSMHSA-N	1	0	361.490	1.894	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CCNc3nccnc3C#N)C2)CC[N@@H+]1C	ZINC001066394300	925979308	/nfs/dbraw/zinc/97/93/08/925979308.db2.gz	UAIAHAGIDNRHQR-HLLBOEOZSA-N	1	0	356.474	1.729	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ncnn2C(C)(C)C)C1	ZINC001086201667	926284833	/nfs/dbraw/zinc/28/48/33/926284833.db2.gz	KZGBBPLUVKMUNL-QXSJWSMHSA-N	1	0	361.490	1.609	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@H](O)c2ccccc2F)C1	ZINC001086202790	926289652	/nfs/dbraw/zinc/28/96/52/926289652.db2.gz	QPJNALBOIKIIPE-KZYWPTACSA-N	1	0	362.445	1.935	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3cccnc3)C2)C1=O	ZINC001086205939	926299201	/nfs/dbraw/zinc/29/92/01/926299201.db2.gz	RLEVGZIQDSTSQL-YYTXDEJISA-N	1	0	368.481	1.456	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H](C)n2nnc(-c3ccccc3)n2)CC1	ZINC000743493339	926379062	/nfs/dbraw/zinc/37/90/62/926379062.db2.gz	OHVKUJCJCMCQNR-HNNXBMFYSA-N	1	0	352.442	1.505	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccc(N3NC(=O)CCC3=O)cc2)CC1	ZINC000743493432	926379088	/nfs/dbraw/zinc/37/90/88/926379088.db2.gz	SHEJSYUPPFFRJZ-UHFFFAOYSA-N	1	0	368.437	1.062	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CCC)C2)cc1	ZINC000743987807	926541109	/nfs/dbraw/zinc/54/11/09/926541109.db2.gz	FJDDPKGICHRODW-MRXNPFEDSA-N	1	0	357.454	1.827	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001086363387	926830327	/nfs/dbraw/zinc/83/03/27/926830327.db2.gz	QVUBDSUYPJYQJD-DTZQCDIJSA-N	1	0	358.398	1.216	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2nnc(C(C)C)[nH]2)C1	ZINC001086368999	926860927	/nfs/dbraw/zinc/86/09/27/926860927.db2.gz	KGMDJGYVLBNKGR-FPCVCCKLSA-N	1	0	361.490	1.894	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)s3)C2)O1	ZINC001086400746	927058401	/nfs/dbraw/zinc/05/84/01/927058401.db2.gz	VPILZFLMRURJOM-VMUDFCTBSA-N	1	0	362.499	1.323	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)cc1	ZINC001086479363	927507338	/nfs/dbraw/zinc/50/73/38/927507338.db2.gz	BXSMFMTWHVSLEA-ZJPYXAASSA-N	1	0	354.454	1.444	20	30		FDEDRO
C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)Nc2cnn(CC#N)c2)C1	ZINC000746356957	927905777	/nfs/dbraw/zinc/90/57/77/927905777.db2.gz	VPMNDRTVNBCVQY-GJZGRUSLSA-N	1	0	360.462	1.219	20	30		FDEDRO
C=CCN1CCC[C@@H]([NH2+][C@H]2CCN(Cc3ccc(OC)cc3)C(=O)C2)C1=O	ZINC001168910232	928176916	/nfs/dbraw/zinc/17/69/16/928176916.db2.gz	UKHIYLKAZGQZQP-PKOBYXMFSA-N	1	0	371.481	1.953	20	30		FDEDRO
Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(-n2cncc2C[C@@H]([NH3+])CO)n1	ZINC001169071964	928261820	/nfs/dbraw/zinc/26/18/20/928261820.db2.gz	JDXYJIZTZHJWSQ-FSMNLTDPSA-N	1	0	363.487	1.319	20	30		FDEDRO
C#C[C@H]1CCC[N@@H+]([C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1	ZINC001169206334	928343314	/nfs/dbraw/zinc/34/33/14/928343314.db2.gz	IFFNDOUBLZVWEH-CVEARBPZSA-N	1	0	371.485	1.338	20	30		FDEDRO
C#C[C@H]([NH2+]C[C@]1(O)CCCN(C(=O)OCc2ccccc2)C1)[C@H]1CCCO1	ZINC001169494073	928679427	/nfs/dbraw/zinc/67/94/27/928679427.db2.gz	CFCGJESVUIOIID-QKNQBKEWSA-N	1	0	372.465	1.921	20	30		FDEDRO
COc1ccc(C(=Nc2ccc([C@H]3CC4(C[NH2+]C4)C(=O)N3)cc2)NO)nc1	ZINC001169601133	928774880	/nfs/dbraw/zinc/77/48/80/928774880.db2.gz	DOINKMXXCJFNCL-MRXNPFEDSA-N	1	0	367.409	1.298	20	30		FDEDRO
CC(=O)N1CCC[C@@H]([N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)C1	ZINC001169614519	928814455	/nfs/dbraw/zinc/81/44/55/928814455.db2.gz	GNZPNSAQOMZNDX-TZIWHRDSSA-N	1	0	366.465	1.998	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ncccc2F)[C@@H](n2ccnn2)C1	ZINC001129342062	928853400	/nfs/dbraw/zinc/85/34/00/928853400.db2.gz	ASFXWZKIOJIMGL-BMFZPTHFSA-N	1	0	358.421	1.822	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnn(CC)c2C)[C@@H](n2ccnn2)C1	ZINC001129342824	928870236	/nfs/dbraw/zinc/87/02/36/928870236.db2.gz	ZMRMIRYBKDJDFN-OLMNPRSZSA-N	1	0	371.489	1.813	20	30		FDEDRO
C=CCCC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)CC2=O)C1	ZINC001108545636	928905574	/nfs/dbraw/zinc/90/55/74/928905574.db2.gz	ADBNYBDELZCFEZ-VUHPKUFZSA-N	1	0	357.498	1.956	20	30		FDEDRO
C#CCCN(CC(F)(F)F)C(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1	ZINC000767154444	929127106	/nfs/dbraw/zinc/12/71/06/929127106.db2.gz	KPPQBHGBBISDFH-LSDHHAIUSA-N	1	0	373.419	1.733	20	30		FDEDRO
C#CCN1CCC[C@H]([NH2+]Cc2ncc(I)s2)C1	ZINC000886211055	929196356	/nfs/dbraw/zinc/19/63/56/929196356.db2.gz	INBWEWPJGTVQBP-JTQLQIEISA-N	1	0	361.252	1.935	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(OC)nn2)[C@@H](n2ccnn2)C1	ZINC001129365478	929264825	/nfs/dbraw/zinc/26/48/25/929264825.db2.gz	BQXAIXPYZUXFBX-IMJJTQAJSA-N	1	0	371.445	1.087	20	30		FDEDRO
COC(=O)n1ncc(C#N)c1Nc1ccc([C@@H]2CC3(C[NH2+]C3)C(=O)N2)cc1	ZINC001169971375	929542454	/nfs/dbraw/zinc/54/24/54/929542454.db2.gz	XCRVODMLCQVCMG-AWEZNQCLSA-N	1	0	366.381	1.263	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCCCS1(=O)=O)C2	ZINC001109527409	929675358	/nfs/dbraw/zinc/67/53/58/929675358.db2.gz	RSDUJVLDBOVPLE-NCOADZHNSA-N	1	0	369.531	1.488	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCNC(C)=O	ZINC001109676987	930087251	/nfs/dbraw/zinc/08/72/51/930087251.db2.gz	DHQPNYIJFWTSCW-VUHPKUFZSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2	ZINC001109668919	930094666	/nfs/dbraw/zinc/09/46/66/930094666.db2.gz	HJSLGMTVFCMYQT-QYZOEREBSA-N	1	0	374.529	1.250	20	30		FDEDRO
C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](O)Cn2cccn2)CCC1	ZINC001109680476	930120615	/nfs/dbraw/zinc/12/06/15/930120615.db2.gz	LEIDZKZDXANAEL-OWSLCNJRSA-N	1	0	358.486	1.712	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCS(=O)(=O)CC1)C2	ZINC001109778632	930399531	/nfs/dbraw/zinc/39/95/31/930399531.db2.gz	QBIITJMKLWEXJF-SIXLDLHFSA-N	1	0	354.516	1.887	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)C2	ZINC001109816475	930523501	/nfs/dbraw/zinc/52/35/01/930523501.db2.gz	XKGQQHUGERNBLP-UGUYLWEFSA-N	1	0	357.520	1.248	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCCS(=O)(=O)C1)C2	ZINC001109936212	930813866	/nfs/dbraw/zinc/81/38/66/930813866.db2.gz	OKDYDELIOPMYHU-YVSFHVDLSA-N	1	0	354.516	1.889	20	30		FDEDRO
CCc1nc(C#N)cc(NC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)n1	ZINC001109999308	931000049	/nfs/dbraw/zinc/00/00/49/931000049.db2.gz	YUYARNIZERGODX-DAXOMENPSA-N	1	0	356.474	1.558	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)N(C)Cc2ccc(OCC)cc2)CC1	ZINC000772115529	931082857	/nfs/dbraw/zinc/08/28/57/931082857.db2.gz	XQEGJUDIVAJHQF-UHFFFAOYSA-N	1	0	372.465	1.932	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)CC1	ZINC000772119193	931086689	/nfs/dbraw/zinc/08/66/89/931086689.db2.gz	FMFCGZQVVSIXQH-CRAIPNDOSA-N	1	0	370.449	1.903	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CN(C(C)=O)CCO1)C2	ZINC001110049099	931259832	/nfs/dbraw/zinc/25/98/32/931259832.db2.gz	MKMVEMICNZMYHP-YDZRNGNQSA-N	1	0	363.502	1.702	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1OCC[C@@H]1Cn1cccn1)C2	ZINC001112544211	931415868	/nfs/dbraw/zinc/41/58/68/931415868.db2.gz	UFKJPGNZKMFCKK-HDAAZOAOSA-N	1	0	370.497	1.530	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC(=O)NCCCOC)C2	ZINC001112561326	931587520	/nfs/dbraw/zinc/58/75/20/931587520.db2.gz	RPINHCXLAFBNHW-PXNSSMCTSA-N	1	0	365.518	1.714	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCc1nc(CC)no1)C2	ZINC001112560901	931605179	/nfs/dbraw/zinc/60/51/79/931605179.db2.gz	VZXOPANBENTHHQ-KXBFYZLASA-N	1	0	360.458	1.390	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H](C)c1ccco1)C2	ZINC001112564182	931606838	/nfs/dbraw/zinc/60/68/38/931606838.db2.gz	HUSISTSZODIZAN-FIKGOQFSSA-N	1	0	371.481	1.741	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N3CCC3)C2)cn1	ZINC001112566195	931617675	/nfs/dbraw/zinc/61/76/75/931617675.db2.gz	PBLBPOFIYROMOW-UWJYYQICSA-N	1	0	366.465	1.127	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@@H](n2ccnn2)C1	ZINC001129393308	931625616	/nfs/dbraw/zinc/62/56/16/931625616.db2.gz	HSUZVUCNLCMNAB-TVFCKZIOSA-N	1	0	361.490	1.649	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1nc3nc(C)cc(C)n3n1)C2	ZINC001112573211	931673314	/nfs/dbraw/zinc/67/33/14/931673314.db2.gz	QGVYJPLYFCFDJP-JXFKEZNVSA-N	1	0	366.469	1.596	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1nc3nccc(C)n3n1)C2	ZINC001112573165	931673325	/nfs/dbraw/zinc/67/33/25/931673325.db2.gz	NQGCZBQGBDVJOA-KXBFYZLASA-N	1	0	352.442	1.288	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(=O)n(C)n1)C2	ZINC001112574217	931680781	/nfs/dbraw/zinc/68/07/81/931680781.db2.gz	VFEBHHPFIRFNKK-GUYCJALGSA-N	1	0	350.850	1.365	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CCN(C(N)=O)CC1)C2	ZINC001112576114	931708415	/nfs/dbraw/zinc/70/84/15/931708415.db2.gz	VVBCEEDYUAWWPD-PXNSSMCTSA-N	1	0	362.518	1.962	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1nc3ncccn3n1)C2	ZINC001112578550	931734480	/nfs/dbraw/zinc/73/44/80/931734480.db2.gz	UIDLUHVMZXBPQK-KXBFYZLASA-N	1	0	354.458	1.461	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COc1ccc(C(N)=O)cc1)C2	ZINC001112582206	931748228	/nfs/dbraw/zinc/74/82/28/931748228.db2.gz	MBFUBPOZFOKOHW-UWJYYQICSA-N	1	0	371.481	1.959	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O)[NH+]1CCCCC1	ZINC001090439434	931759524	/nfs/dbraw/zinc/75/95/24/931759524.db2.gz	GZQIZZBNSHKUND-KURKYZTESA-N	1	0	371.485	1.129	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC(=O)N(C)C1)C2	ZINC001112586263	931772233	/nfs/dbraw/zinc/77/22/33/931772233.db2.gz	QGLVUCJSGAGCMR-ZWOKBUDYSA-N	1	0	363.502	1.276	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)CS(C)(=O)=O)C2	ZINC001112587108	931781661	/nfs/dbraw/zinc/78/16/61/931781661.db2.gz	HKPMSCXVUOWNOT-INWMFGNUSA-N	1	0	362.923	1.638	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC)C2)CCCCC1	ZINC001112588584	931797506	/nfs/dbraw/zinc/79/75/06/931797506.db2.gz	IKJINRNJGPWHRK-UWJYYQICSA-N	1	0	359.514	1.925	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCNC(=O)C2CC2)C1	ZINC001112589161	931801869	/nfs/dbraw/zinc/80/18/69/931801869.db2.gz	NFLOEYHGXQMVMN-PXNSSMCTSA-N	1	0	363.502	1.324	20	30		FDEDRO
COc1ccc(N2CC[NH+](C[C@@H](O)CN3CC[C@](F)(C#N)C3)CC2)cc1	ZINC000786434825	931915535	/nfs/dbraw/zinc/91/55/35/931915535.db2.gz	AAVYHRAGIVLOFL-MJGOQNOKSA-N	1	0	362.449	1.116	20	30		FDEDRO
C[C@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCC1)C(=O)NC1(C#N)CCC1	ZINC000786785511	932032260	/nfs/dbraw/zinc/03/22/60/932032260.db2.gz	NDXHNQPTOVQVOT-ZDUSSCGKSA-N	1	0	350.463	1.974	20	30		FDEDRO
C#CCCCNC(=O)C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1	ZINC000787154440	932199109	/nfs/dbraw/zinc/19/91/09/932199109.db2.gz	BNQCRAAOHIZJDE-IRXDYDNUSA-N	1	0	371.481	1.442	20	30		FDEDRO
C[NH+](C)CCc1ccc(CNC(=O)CCNC(=O)C2N=CC=CC2=O)cc1	ZINC000787338030	932268253	/nfs/dbraw/zinc/26/82/53/932268253.db2.gz	XIWQLDBPKTZGAC-FMQUCBEESA-N	1	0	370.453	1.323	20	30		FDEDRO
N#Cc1ccc(OCCC[NH+]2CCC(n3cnc(C(N)=O)c3N)CC2)cc1	ZINC000787677097	932351408	/nfs/dbraw/zinc/35/14/08/932351408.db2.gz	UJCNNDKRSUNSSM-UHFFFAOYSA-N	1	0	368.441	1.542	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1C#N	ZINC000787668185	932363179	/nfs/dbraw/zinc/36/31/79/932363179.db2.gz	DTKZNQUMZVNBMY-AWEZNQCLSA-N	1	0	358.442	1.031	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=S)NC[C@H]2CCC[N@H+]2CC)n1	ZINC000788331187	932646334	/nfs/dbraw/zinc/64/63/34/932646334.db2.gz	BEFYBRRCGYVUPN-QGZVFWFLSA-N	1	0	363.531	1.324	20	30		FDEDRO
C#CCC1(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CCCCC1	ZINC000788449703	932702338	/nfs/dbraw/zinc/70/23/38/932702338.db2.gz	PSXUXXDEZSWWPI-UHFFFAOYSA-N	1	0	359.474	1.473	20	30		FDEDRO
COC(=O)COc1ccc(C=NNCC[NH+]2CCCCC2)cc1[N+](=O)[O-]	ZINC000788714202	932791343	/nfs/dbraw/zinc/79/13/43/932791343.db2.gz	DRPANCLNDIVGJT-UHFFFAOYSA-N	1	0	364.402	1.556	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@H](C)Cn1cc(Br)ccc1=O	ZINC000788738317	932804456	/nfs/dbraw/zinc/80/44/56/932804456.db2.gz	LDYUHAOREOQFBL-LLVKDONJSA-N	1	0	363.277	1.190	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)n1	ZINC000788874379	932845983	/nfs/dbraw/zinc/84/59/83/932845983.db2.gz	LILVMPJUMWXNKP-ROUUACIJSA-N	1	0	359.474	1.301	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NCC2CC[NH+](CC)CC2)n1	ZINC000788951942	932886698	/nfs/dbraw/zinc/88/66/98/932886698.db2.gz	ZQNJLTBUCWMTQY-UHFFFAOYSA-N	1	0	361.490	1.406	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)n1	ZINC000789030381	932919626	/nfs/dbraw/zinc/91/96/26/932919626.db2.gz	JREKEJRBXPUVCZ-QGZVFWFLSA-N	1	0	373.501	1.549	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)n1	ZINC000789166475	932951153	/nfs/dbraw/zinc/95/11/53/932951153.db2.gz	GMTOPQCKNNOWPF-MRXNPFEDSA-N	1	0	359.474	1.325	20	30		FDEDRO
C#CCNC(=S)C(C(=O)c1cnn(C)n1)[n+]1ccc(C(C)(C)C)cc1	ZINC000789401948	933030030	/nfs/dbraw/zinc/03/00/30/933030030.db2.gz	GINLXRBAGKVHEC-UHFFFAOYSA-O	1	0	356.475	1.834	20	30		FDEDRO
C#CCN(CC#CC)C(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C	ZINC000789769721	933171991	/nfs/dbraw/zinc/17/19/91/933171991.db2.gz	PYROEVIZNOEFHA-KRWDZBQOSA-N	1	0	353.422	1.495	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)NC1CC[NH+](C2CCCCC2)CC1	ZINC000746870961	933316366	/nfs/dbraw/zinc/31/63/66/933316366.db2.gz	JNYOMNLJOXMUCH-FMQUCBEESA-N	1	0	374.485	1.816	20	30		FDEDRO
CCCCCCC[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC001113343352	933588265	/nfs/dbraw/zinc/58/82/65/933588265.db2.gz	GVLQEGNGULXJFZ-DLBZAZTESA-N	1	0	353.507	1.737	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CCC(=O)NC2)C1	ZINC001086592615	933816147	/nfs/dbraw/zinc/81/61/47/933816147.db2.gz	XNNPHIOKFXFBPC-NZSAHSFTSA-N	1	0	353.466	1.510	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)C1	ZINC001086595572	933901466	/nfs/dbraw/zinc/90/14/66/933901466.db2.gz	IUOSHOVFWCNILN-CEXWTWQISA-N	1	0	353.466	1.462	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccn3nnnc3c2)C1	ZINC001086603039	934205523	/nfs/dbraw/zinc/20/55/23/934205523.db2.gz	FPHHOEYXHNFUFL-ZWKOTPCHSA-N	1	0	362.437	1.898	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H]1O	ZINC001090459334	934232900	/nfs/dbraw/zinc/23/29/00/934232900.db2.gz	BUSLURFUBMLOGB-VXGBXAGGSA-N	1	0	371.894	1.066	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1cn(-c2ccc(Br)cc2)cn1	ZINC001170993551	945094712	/nfs/dbraw/zinc/09/47/12/945094712.db2.gz	DKRFJRGDJLKLMX-UHFFFAOYSA-N	1	0	361.243	1.930	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cccc(N3C(=O)N[C@@H](CC)C3=O)c2)CC1	ZINC000794261391	938385001	/nfs/dbraw/zinc/38/50/01/938385001.db2.gz	YLKGQJBFRTZSNK-KRWDZBQOSA-N	1	0	368.437	1.805	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H](C)Oc2ccccn2)[C@@H](n2ccnn2)C1	ZINC001129393762	938401423	/nfs/dbraw/zinc/40/14/23/938401423.db2.gz	SUSQTTJLOSVEHV-BBWFWOEESA-N	1	0	370.457	1.448	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)Cc2ccccc2OC)[C@@H](n2ccnn2)C1	ZINC001129418045	938409770	/nfs/dbraw/zinc/40/97/70/938409770.db2.gz	PLUANTMZNMWOAC-MSOLQXFVSA-N	1	0	369.469	1.837	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](CCCC=C)C[C@@H]1n1ccnn1	ZINC001129404630	938417434	/nfs/dbraw/zinc/41/74/34/938417434.db2.gz	ZGTAVLNHIUUGLE-UXHICEINSA-N	1	0	363.465	1.810	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2CCCCCC2=O)C1	ZINC001086622833	938422631	/nfs/dbraw/zinc/42/26/31/938422631.db2.gz	VIAGOCITCUPZPL-VQTJNVASSA-N	1	0	367.493	1.997	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@@H+](CC/C=C\CCC)C[C@@H]1n1ccnn1	ZINC001129477056	938433156	/nfs/dbraw/zinc/43/31/56/938433156.db2.gz	XNEOFNNMBHRHBY-JKCVZHOFSA-N	1	0	361.490	1.959	20	30		FDEDRO
C=CCN1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@@H](n2ccnn2)C1	ZINC001129460350	938435664	/nfs/dbraw/zinc/43/56/64/938435664.db2.gz	KAUWEFQMLNXQJO-FGTMMUONSA-N	1	0	360.506	1.316	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CCC2CCCC2)C[C@@H]1n1ccnn1	ZINC001129541350	938455263	/nfs/dbraw/zinc/45/52/63/938455263.db2.gz	UUEICXOTBUUCOL-MSOLQXFVSA-N	1	0	359.474	1.240	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)Cn2cccn2)C[C@@H]1n1ccnn1	ZINC001129579112	938459958	/nfs/dbraw/zinc/45/99/58/938459958.db2.gz	VMQHMMLBYQTSDN-SJORKVTESA-N	1	0	359.478	1.487	20	30		FDEDRO
CCCCC(=O)N1C[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@@H](n2ccnn2)C1	ZINC001129598469	938462056	/nfs/dbraw/zinc/46/20/56/938462056.db2.gz	LTIPKAVFSFETOJ-MSOLQXFVSA-N	1	0	352.442	1.882	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2C)C[C@@H]1n1ccnn1	ZINC001129598513	938462061	/nfs/dbraw/zinc/46/20/61/938462061.db2.gz	MUDWCCOQTREGHD-MSOLQXFVSA-N	1	0	371.489	1.722	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]([NH2+]Cc2cc(C)ccc2C)[C@@H](n2ccnn2)C1	ZINC001129677761	938491080	/nfs/dbraw/zinc/49/10/80/938491080.db2.gz	NLDIQJTWKDHKKQ-MOPGFXCFSA-N	1	0	369.469	1.639	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]C/C=C/c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129678186	938491358	/nfs/dbraw/zinc/49/13/58/938491358.db2.gz	YVCXJJBIKCYWJV-JYADNZFDSA-N	1	0	350.426	1.493	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCCO2)[C@@H](n2ccnn2)C1	ZINC001129756936	938501963	/nfs/dbraw/zinc/50/19/63/938501963.db2.gz	NPLZKSBRQVNESN-KURKYZTESA-N	1	0	359.474	1.382	20	30		FDEDRO
CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1n1ccnn1	ZINC001129777968	938513694	/nfs/dbraw/zinc/51/36/94/938513694.db2.gz	GQPFTWWVBBAGHF-KKSLTYSGSA-N	1	0	367.457	1.880	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2nn(C)cc2C)C[C@@H]1n1ccnn1	ZINC001129817009	938521074	/nfs/dbraw/zinc/52/10/74/938521074.db2.gz	RCYVYTGTUAUHBQ-SJORKVTESA-N	1	0	371.489	1.722	20	30		FDEDRO
Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1n1ccnn1	ZINC001129824844	938522747	/nfs/dbraw/zinc/52/27/47/938522747.db2.gz	DNOXFBRHEIYBGI-MSOLQXFVSA-N	1	0	352.442	1.183	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CC2CC(C)(C)C2)[C@@H](n2ccnn2)C1	ZINC001129829686	938523694	/nfs/dbraw/zinc/52/36/94/938523694.db2.gz	MJPOLYJZBZYLLO-UAGQMJEPSA-N	1	0	359.474	1.094	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)s2)[C@@H](n2ccnn2)C1	ZINC001129830256	938523980	/nfs/dbraw/zinc/52/39/80/938523980.db2.gz	ZBFBHZIOJYCPLX-SJORKVTESA-N	1	0	368.466	1.556	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccncc2)C[C@@H]1n1ccnn1	ZINC001129855986	938528997	/nfs/dbraw/zinc/52/89/97/938528997.db2.gz	UHJODBWVMISRJO-MANSERQUSA-N	1	0	366.469	1.785	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc3n2[C@@H](C)CCC3)C[C@@H]1n1ccnn1	ZINC001129864037	938531917	/nfs/dbraw/zinc/53/19/17/938531917.db2.gz	OHGVXIYBZDJKQC-UXLLHSPISA-N	1	0	369.473	1.603	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCc3nncn3C2)C1	ZINC001086625633	938532473	/nfs/dbraw/zinc/53/24/73/938532473.db2.gz	OJHDNKYHPPRYPB-CEXWTWQISA-N	1	0	363.465	1.448	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)n(C)n2)C[C@@H]1n1ccnn1	ZINC001129837382	938534615	/nfs/dbraw/zinc/53/46/15/938534615.db2.gz	CUSFUPNDEBXKPT-AEFFLSMTSA-N	1	0	371.489	1.757	20	30		FDEDRO
C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCc3nncn3C2)C1	ZINC001086625744	938534713	/nfs/dbraw/zinc/53/47/13/938534713.db2.gz	VTHYUUHZUYMQLK-OKZBNKHCSA-N	1	0	351.454	1.611	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H]([NH2+]CC2CCC2)[C@@H](n2ccnn2)C1)OCC	ZINC001129878929	938536311	/nfs/dbraw/zinc/53/63/11/938536311.db2.gz	LJBDXFDDXNRVSD-FGTMMUONSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H]([NH2+]CC2CC(OCC)C2)[C@@H](n2ccnn2)C1	ZINC001129878939	938536340	/nfs/dbraw/zinc/53/63/40/938536340.db2.gz	LNWWDHGEJMYJAV-HIEASXQVSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCC3)C[C@@H]1n1ccnn1	ZINC001129881712	938537664	/nfs/dbraw/zinc/53/76/64/938537664.db2.gz	QHIPQWUORJTRME-SJORKVTESA-N	1	0	355.446	1.042	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C2(COC)CCCCC2)C[C@@H]1n1ccnn1	ZINC001129892236	938542953	/nfs/dbraw/zinc/54/29/53/938542953.db2.gz	NXJQJBNAFSJRMR-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]([NH2+]C[C@H](CC)OC)[C@@H](n2ccnn2)C1	ZINC001129867376	938543935	/nfs/dbraw/zinc/54/39/35/938543935.db2.gz	RQSXGBPURNMUIJ-ZNMIVQPWSA-N	1	0	369.897	1.823	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CCCC1	ZINC000804736422	938559528	/nfs/dbraw/zinc/55/95/28/938559528.db2.gz	RYRYRZODTSYIBC-UHFFFAOYSA-N	1	0	361.486	1.152	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001129931936	938562043	/nfs/dbraw/zinc/56/20/43/938562043.db2.gz	GOHZCNZCSSXUBM-MOPGFXCFSA-N	1	0	351.454	1.584	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccncc2OC(C)C)C[C@@H]1n1ccnn1	ZINC001129941305	938566652	/nfs/dbraw/zinc/56/66/52/938566652.db2.gz	TVCUHPNVEGRMQU-SJORKVTESA-N	1	0	370.457	1.692	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2CCC)C[C@@H]1n1ccnn1	ZINC001129924965	938570658	/nfs/dbraw/zinc/57/06/58/938570658.db2.gz	OQENFFPLAJBMPM-WBVHZDCISA-N	1	0	357.462	1.196	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC(C)(C)CO2)C[C@@H]1n1ccnn1	ZINC001129930603	938573143	/nfs/dbraw/zinc/57/31/43/938573143.db2.gz	MKWQEPVCNKFGHI-ZACQAIPSSA-N	1	0	361.490	1.791	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001129930820	938573254	/nfs/dbraw/zinc/57/32/54/938573254.db2.gz	WKPGQEKWOAOVHA-UHOSZYNNSA-N	1	0	367.453	1.248	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H]([NH2+]CC2CCOCC2)[C@@H](n2ccnn2)C1	ZINC001129978020	938593393	/nfs/dbraw/zinc/59/33/93/938593393.db2.gz	OBJGUPOPMFRVIS-NXHRZFHOSA-N	1	0	361.490	1.649	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C2(c3cc(C)no3)CC2)C[C@@H]1n1ccnn1	ZINC001129978250	938594065	/nfs/dbraw/zinc/59/40/65/938594065.db2.gz	XGLFZSYFNDTGOT-CABCVRRESA-N	1	0	356.430	1.224	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3cccnc32)C[C@@H]1n1ccnn1	ZINC001129982713	938597505	/nfs/dbraw/zinc/59/75/05/938597505.db2.gz	ISKGPXQKJWSNOW-KSZLIROESA-N	1	0	366.469	1.711	20	30		FDEDRO
C#CC[C@@H](Cc1ccccc1)NC(=O)NCCCC[NH+]1CCN(C)CC1	ZINC000804910472	938603912	/nfs/dbraw/zinc/60/39/12/938603912.db2.gz	BTTGRBZMICUPPG-FQEVSTJZSA-N	1	0	356.514	1.948	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]([NH2+]C[C@@H](C)CC)[C@@H](n3ccnn3)C2)c1	ZINC001129997172	938605200	/nfs/dbraw/zinc/60/52/00/938605200.db2.gz	BHWOQVFWBGNAMA-QGTPRVQTSA-N	1	0	352.442	1.356	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]([NH2+]CC=C(C)C)[C@@H](n3ccnn3)C2)c1	ZINC001129997433	938605609	/nfs/dbraw/zinc/60/56/09/938605609.db2.gz	MJUFPKGIGWUXJO-MSOLQXFVSA-N	1	0	350.426	1.276	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]([NH2+]CC[C@@H](C)F)[C@@H](n3ccnn3)C2)c1	ZINC001129997747	938605920	/nfs/dbraw/zinc/60/59/20/938605920.db2.gz	ZUQVRCUUCQQHDQ-XYPHTWIQSA-N	1	0	356.405	1.058	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H]([NH2+]CCC[C@H](C)O)[C@@H](n3ccnn3)C2)CC1	ZINC001129999255	938606880	/nfs/dbraw/zinc/60/68/80/938606880.db2.gz	SRQHPRGLZDMZFT-BBWFWOEESA-N	1	0	361.490	1.527	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCCCO2)[C@@H](n2ccnn2)C1	ZINC001129986630	938610116	/nfs/dbraw/zinc/61/01/16/938610116.db2.gz	HDBYWWIWZYGFBH-KURKYZTESA-N	1	0	361.490	1.935	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnnc3ccccc32)C[C@@H]1n1ccnn1	ZINC001130020673	938619470	/nfs/dbraw/zinc/61/94/70/938619470.db2.gz	RDUNGRMIOVVURI-MSOLQXFVSA-N	1	0	363.425	1.453	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2ccccc2F)C[C@@H]1n1ccnn1	ZINC001130005652	938622635	/nfs/dbraw/zinc/62/26/35/938622635.db2.gz	BGYUZPUHVYOVDX-IPELMVKDSA-N	1	0	369.444	1.661	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2ccncc2Cl)C[C@@H]1n1ccnn1	ZINC001130007580	938624997	/nfs/dbraw/zinc/62/49/97/938624997.db2.gz	LUFWYPWOOMFFAW-CVEARBPZSA-N	1	0	360.849	1.487	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC(F)(F)C(F)F)C[C@@H]1n1ccnn1	ZINC001130007767	938625339	/nfs/dbraw/zinc/62/53/39/938625339.db2.gz	UDWCXBSTDDZOLH-NEPJUHHUSA-N	1	0	363.359	1.876	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2nccc3[nH]ccc32)C[C@@H]1n1ccnn1	ZINC001130009393	938626133	/nfs/dbraw/zinc/62/61/33/938626133.db2.gz	MKALGNBAFHJEMZ-SJORKVTESA-N	1	0	365.441	1.776	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2cccc(F)c2F)C[C@@H]1n1ccnn1	ZINC001130024267	938628303	/nfs/dbraw/zinc/62/83/03/938628303.db2.gz	PPKYFACCXLMXQX-CVEARBPZSA-N	1	0	359.380	1.164	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2ccn(CC)n2)C[C@@H]1n1ccnn1	ZINC001130028000	938630133	/nfs/dbraw/zinc/63/01/33/938630133.db2.gz	FFFJYQWNYWCVMG-MSOLQXFVSA-N	1	0	371.489	1.896	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(C)C)[nH]c2=O)C[C@@H]1n1ccnn1	ZINC001130027946	938630259	/nfs/dbraw/zinc/63/02/59/938630259.db2.gz	DEPFOIALYLZTTE-SJORKVTESA-N	1	0	368.441	1.181	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CC[C@H](C)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130028133	938630273	/nfs/dbraw/zinc/63/02/73/938630273.db2.gz	IQOQGJRHUWZSKD-UHOSZYNNSA-N	1	0	351.454	1.837	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2cccnc2)C[C@@H]1n1ccnn1	ZINC001130027958	938630282	/nfs/dbraw/zinc/63/02/82/938630282.db2.gz	DSVPMMKRKMGCKN-JQHSSLGASA-N	1	0	352.442	1.232	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(Cl)s2)C[C@@H]1n1ccnn1	ZINC001130030728	938632263	/nfs/dbraw/zinc/63/22/63/938632263.db2.gz	OLSGMMVDBBXKRH-KGLIPLIRSA-N	1	0	363.874	1.601	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)c2c(C)noc2C)C[C@@H]1n1ccnn1	ZINC001130038094	938636104	/nfs/dbraw/zinc/63/61/04/938636104.db2.gz	LOGGWUJDBUJKTF-BBWFWOEESA-N	1	0	370.457	1.442	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cccc3nc[nH]c32)C[C@@H]1n1ccnn1	ZINC001130050172	938637383	/nfs/dbraw/zinc/63/73/83/938637383.db2.gz	MDHLFQYPWOYVQK-SJORKVTESA-N	1	0	365.441	1.776	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(OC)cc2F)C[C@@H]1n1ccnn1	ZINC001130065126	938652591	/nfs/dbraw/zinc/65/25/91/938652591.db2.gz	AZBKLUWSBIULCH-MSOLQXFVSA-N	1	0	371.416	1.033	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2cccc(COC)c2)C[C@@H]1n1ccnn1	ZINC001130081652	938663253	/nfs/dbraw/zinc/66/32/53/938663253.db2.gz	ZOAXTGGJZIEGPP-MOPGFXCFSA-N	1	0	367.453	1.032	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2coc(CCC)n2)C[C@@H]1n1ccnn1	ZINC001130083651	938664963	/nfs/dbraw/zinc/66/49/63/938664963.db2.gz	FNBAMWOXKHEJMU-ZBFHGGJFSA-N	1	0	358.446	1.840	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C3CC3)s2)C[C@@H]1n1ccnn1	ZINC001130086116	938667398	/nfs/dbraw/zinc/66/73/98/938667398.db2.gz	MCABRCGEGCNEFI-CABCVRRESA-N	1	0	355.467	1.896	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2oc(CCC)nc2C)C[C@@H]1n1ccnn1	ZINC001130086373	938667702	/nfs/dbraw/zinc/66/77/02/938667702.db2.gz	YKAHUZXZJYJUPG-CABCVRRESA-N	1	0	356.430	1.206	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn(CCCC)nc2C)C[C@@H]1n1ccnn1	ZINC001130077386	938670659	/nfs/dbraw/zinc/67/06/59/938670659.db2.gz	GRIXFUPROMYSLZ-MSOLQXFVSA-N	1	0	371.489	1.815	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3cccnc3C2)C[C@@H]1n1ccnn1	ZINC001130105132	938686006	/nfs/dbraw/zinc/68/60/06/938686006.db2.gz	MCRHUGHIRQIZQN-QRQLOZEOSA-N	1	0	366.469	1.396	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cccc(C)c2C)C[C@@H]1n1ccnn1	ZINC001130111635	938690510	/nfs/dbraw/zinc/69/05/10/938690510.db2.gz	JERMTSJRVQWGDH-MOPGFXCFSA-N	1	0	369.469	1.753	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)CCCC3)C[C@@H]1n1ccnn1	ZINC001130112721	938692640	/nfs/dbraw/zinc/69/26/40/938692640.db2.gz	NWBONFKQYLGAQN-UXHICEINSA-N	1	0	363.465	1.836	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2nccs2)C[C@@H]1n1ccnn1	ZINC001130129814	938699507	/nfs/dbraw/zinc/69/95/07/938699507.db2.gz	YCUHKVHDNJKKQN-CABCVRRESA-N	1	0	360.487	1.675	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCOc2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001130118766	938701653	/nfs/dbraw/zinc/70/16/53/938701653.db2.gz	MIHIIZNKGBICLJ-MOPGFXCFSA-N	1	0	367.453	1.420	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2ccnc2C)C[C@@H]1n1ccnn1	ZINC001130123447	938705415	/nfs/dbraw/zinc/70/54/15/938705415.db2.gz	RJVWBIPHVJBVPP-UAGQMJEPSA-N	1	0	357.462	1.179	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2nc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001130123601	938705692	/nfs/dbraw/zinc/70/56/92/938705692.db2.gz	VMIZURFNWFXHCN-KSZLIROESA-N	1	0	369.473	1.108	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)CCCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130142753	938713906	/nfs/dbraw/zinc/71/39/06/938713906.db2.gz	GSULKWVWXFFDDG-RLLQIKCJSA-N	1	0	365.481	1.912	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CC/C=C/CCC)[C@@H](n2ccnn2)C1	ZINC001130151243	938715700	/nfs/dbraw/zinc/71/57/00/938715700.db2.gz	KQTOVRXCDBNDTM-WFJGZTCRSA-N	1	0	361.490	1.957	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CCc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001130151496	938715952	/nfs/dbraw/zinc/71/59/52/938715952.db2.gz	UAWVHUKPFSOFCU-QRQLOZEOSA-N	1	0	369.469	1.453	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(N(C)C)ccn2)C[C@@H]1n1ccnn1	ZINC001130153463	938717567	/nfs/dbraw/zinc/71/75/67/938717567.db2.gz	TVGKCPWAAKUHGK-MSOLQXFVSA-N	1	0	369.473	1.361	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)COC)[nH]1	ZINC001130177677	938725189	/nfs/dbraw/zinc/72/51/89/938725189.db2.gz	OEZRXXUMVHMVSG-GJZGRUSLSA-N	1	0	367.494	1.500	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CCCCC2)[nH]1	ZINC001130177775	938725585	/nfs/dbraw/zinc/72/55/85/938725585.db2.gz	UDHJRPAQKYXYLB-HOTGVXAUSA-N	1	0	359.474	1.487	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCCO2)[nH]1	ZINC001130181941	938729087	/nfs/dbraw/zinc/72/90/87/938729087.db2.gz	YTLRHPYNEIIVPO-KKUMJFAQSA-N	1	0	363.462	1.028	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=C(C)C2CC2)[nH]1	ZINC001130186796	938732642	/nfs/dbraw/zinc/73/26/42/938732642.db2.gz	LUGTUBQVPINCDZ-YQPRGPPOSA-N	1	0	359.474	1.815	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCOC)[nH]1	ZINC001130186829	938732882	/nfs/dbraw/zinc/73/28/82/938732882.db2.gz	NOWGSMLYLDRIQQ-GJZGRUSLSA-N	1	0	365.478	1.276	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)CSC)[nH]1	ZINC001130193040	938737409	/nfs/dbraw/zinc/73/74/09/938737409.db2.gz	GGFJJSJDJKYAKM-RDBSUJKOSA-N	1	0	367.519	1.458	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)C2CC2)[nH]1	ZINC001130195826	938738824	/nfs/dbraw/zinc/73/88/24/938738824.db2.gz	DYTKMXVXQDWOPL-KBMXLJTQSA-N	1	0	361.490	1.895	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCc2ccco2)n1	ZINC001130183117	938742439	/nfs/dbraw/zinc/74/24/39/938742439.db2.gz	QROXEWXBRJXDDH-HOTGVXAUSA-N	1	0	371.441	1.132	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccn2C)[nH]1	ZINC001130185043	938744411	/nfs/dbraw/zinc/74/44/11/938744411.db2.gz	UDDLLPHVIHFLPA-ZFWWWQNUSA-N	1	0	358.446	1.111	20	30		FDEDRO
C=CCOCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC=C(C)C)[nH]1	ZINC001130203324	938745244	/nfs/dbraw/zinc/74/52/44/938745244.db2.gz	YNUUYHUCBPPGRQ-GJZGRUSLSA-N	1	0	363.462	1.052	20	30		FDEDRO
CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c[nH]c(C#N)c2)[nH]1	ZINC001130204657	938745515	/nfs/dbraw/zinc/74/55/15/938745515.db2.gz	BWIXVNQVJDCQHP-GJZGRUSLSA-N	1	0	371.445	1.053	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2ccccc2)[nH]1	ZINC001130220637	938747681	/nfs/dbraw/zinc/74/76/81/938747681.db2.gz	HFZRLHLGZOMWLF-HOTGVXAUSA-N	1	0	355.442	1.312	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC(C)(C)O)[nH]1	ZINC001130210163	938747938	/nfs/dbraw/zinc/74/79/38/938747938.db2.gz	YIXVZPDEVHNWJE-KBPBESRZSA-N	1	0	365.478	1.010	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCC2(F)F)[nH]1	ZINC001130220547	938749497	/nfs/dbraw/zinc/74/94/97/938749497.db2.gz	CIGYUKOMQHAGTC-XQQFMLRXSA-N	1	0	369.416	1.504	20	30		FDEDRO
CC[C@@H](F)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C#CC2CC2)[nH]1	ZINC001130212807	938749564	/nfs/dbraw/zinc/74/95/64/938749564.db2.gz	DXSLZHMVZOJRGA-ILXRZTDVSA-N	1	0	363.437	1.045	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)C2CCC2)[nH]1	ZINC001130220578	938751694	/nfs/dbraw/zinc/75/16/94/938751694.db2.gz	FOHYYZJNXNHULS-BPUTZDHNSA-N	1	0	361.490	1.895	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2=CCCC2)[nH]1	ZINC001130200691	938754323	/nfs/dbraw/zinc/75/43/23/938754323.db2.gz	SASAKRUXSZCRCH-HOTGVXAUSA-N	1	0	359.474	1.960	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C23CCC(CC2)C3)n1	ZINC001130223101	938757116	/nfs/dbraw/zinc/75/71/16/938757116.db2.gz	LQEBEMOKZSNIOM-FZTQNYJHSA-N	1	0	371.485	1.487	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(CCF)CC2)[nH]1	ZINC001130224776	938758845	/nfs/dbraw/zinc/75/88/45/938758845.db2.gz	BHXFCXDNOBQNFR-KBPBESRZSA-N	1	0	365.453	1.599	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CC3(CCC3)C2)n1	ZINC001130229706	938763067	/nfs/dbraw/zinc/76/30/67/938763067.db2.gz	AUDGRIPAPKQBDZ-HOTGVXAUSA-N	1	0	371.485	1.487	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCC2(C)C)[nH]1	ZINC001130230126	938763570	/nfs/dbraw/zinc/76/35/70/938763570.db2.gz	NFWDFGAYYPEEGN-ZNMIVQPWSA-N	1	0	361.490	1.895	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCF)[nH]1	ZINC001130230086	938763698	/nfs/dbraw/zinc/76/36/98/938763698.db2.gz	MBIVUFHYVYGGLZ-KKUMJFAQSA-N	1	0	367.469	1.987	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)(C)C2CCC2)n1	ZINC001130230488	938764224	/nfs/dbraw/zinc/76/42/24/938764224.db2.gz	XPLSTOBOLDTGFA-GJZGRUSLSA-N	1	0	359.474	1.343	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](F)c2ccccc2)n1	ZINC001130240339	938764795	/nfs/dbraw/zinc/76/47/95/938764795.db2.gz	OUKLHHFOTOAMPX-ZOBUZTSGSA-N	1	0	371.416	1.227	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)C(C)(F)F)[nH]1	ZINC001130238056	938767559	/nfs/dbraw/zinc/76/75/59/938767559.db2.gz	QWNFLWVFFBBKCU-AGIUHOORSA-N	1	0	369.416	1.198	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)CCOC)[nH]1	ZINC001130246390	938771825	/nfs/dbraw/zinc/77/18/25/938771825.db2.gz	JBMRGEDIYNIGFL-KBPBESRZSA-N	1	0	365.478	1.132	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)ccc2C)[nH]1	ZINC001130251112	938774187	/nfs/dbraw/zinc/77/41/87/938774187.db2.gz	BQTNVGPXGQWEEQ-RDJZCZTQSA-N	1	0	369.469	2.000	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[C@@H](C)OC)CC1	ZINC001130285162	938789833	/nfs/dbraw/zinc/78/98/33/938789833.db2.gz	CBUKSHJTUSTHKC-MDYRTPRTSA-N	1	0	363.502	1.300	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)/C=C\c2ccc[nH]2)CC1	ZINC001130285367	938790191	/nfs/dbraw/zinc/79/01/91/938790191.db2.gz	GEOXDSLTAGMOPP-PGTZJJDYSA-N	1	0	356.470	1.689	20	30		FDEDRO
C[C@H](F)CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C#CC2CC2)CC1	ZINC001130290592	938795063	/nfs/dbraw/zinc/79/50/63/938795063.db2.gz	GNXUDFDYJTYKSM-NQYLQCIDSA-N	1	0	363.477	1.623	20	30		FDEDRO
CC[C@H](F)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C#CC(C)C)CC1	ZINC001130290806	938795425	/nfs/dbraw/zinc/79/54/25/938795425.db2.gz	LRMYXDATNPUKLV-QKLQHJQFSA-N	1	0	365.493	1.869	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](OCC)C(C)C)CC1	ZINC001130290962	938795588	/nfs/dbraw/zinc/79/55/88/938795588.db2.gz	SBEBLXMXUXZKTE-NEWSRXKRSA-N	1	0	363.502	1.156	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](OC)C(C)C)CC1	ZINC001130298955	938799291	/nfs/dbraw/zinc/79/92/91/938799291.db2.gz	ONNKDJVAHUWHSF-NJAFHUGGSA-N	1	0	351.491	1.319	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)CCOC)CC1	ZINC001130307711	938805729	/nfs/dbraw/zinc/80/57/29/938805729.db2.gz	ZUYRDCZUASPSGH-WDYCEAGBSA-N	1	0	363.502	1.158	20	30		FDEDRO
C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1nc2ccccc2c(=O)n1CC#N	ZINC000805769071	938827598	/nfs/dbraw/zinc/82/75/98/938827598.db2.gz	RRISEUGKZKNKHA-MAUKXSAKSA-N	1	0	351.454	1.979	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccncc1	ZINC000805811864	938831201	/nfs/dbraw/zinc/83/12/01/938831201.db2.gz	WCMMDJSMLXYBFK-QZTJIDSGSA-N	1	0	356.470	1.902	20	30		FDEDRO
C[C@@H](F)CC[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@H]1c1cn(C)cn1	ZINC001130502314	938885165	/nfs/dbraw/zinc/88/51/65/938885165.db2.gz	HERBYFVJOIGZOK-VNHYZAJKSA-N	1	0	353.467	1.309	20	30		FDEDRO
CO[C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#Cc2ccccc2)C1	ZINC001130516719	938894126	/nfs/dbraw/zinc/89/41/26/938894126.db2.gz	MPXLELXWMDOTRD-IMFGXOCKSA-N	1	0	366.465	1.391	20	30		FDEDRO
CCCC[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#CCOC)C1	ZINC001130578076	939879278	/nfs/dbraw/zinc/87/92/78/939879278.db2.gz	CHOWBRJABKJPRV-ZIFCJYIRSA-N	1	0	360.502	1.780	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCCCF)C1	ZINC001130592731	939899400	/nfs/dbraw/zinc/89/94/00/939899400.db2.gz	CCYPSUICDXZVFB-XYJFISCASA-N	1	0	364.465	1.482	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2ccnn2C)C[C@H]1c1cn(C)cn1	ZINC001130596683	939903549	/nfs/dbraw/zinc/90/35/49/939903549.db2.gz	PTYDXDQNPXUJQN-SOLBZPMBSA-N	1	0	370.501	1.808	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCC=C)C2)CCOCC1	ZINC001130610663	939907976	/nfs/dbraw/zinc/90/79/76/939907976.db2.gz	PVYPNKRZWHAILU-PKOBYXMFSA-N	1	0	370.497	1.700	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@H]1c1cn(C)cn1	ZINC001130611623	939909364	/nfs/dbraw/zinc/90/93/64/939909364.db2.gz	CGDKXDKTCXTBBV-ZXFNITATSA-N	1	0	354.458	1.407	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)n2ccnc2)C[C@H]1c1cn(C)cn1	ZINC001130615081	939912727	/nfs/dbraw/zinc/91/27/27/939912727.db2.gz	KCTIZSRUGVPHSL-UHOSZYNNSA-N	1	0	368.485	1.421	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#CC)C1)OCC	ZINC001130602588	939914144	/nfs/dbraw/zinc/91/41/44/939914144.db2.gz	JPDUTULPWFPLSX-QXAKKESOSA-N	1	0	358.486	1.699	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ncc(OC)cc2F)C[C@H]1c1cn(C)cn1	ZINC001130604685	939916024	/nfs/dbraw/zinc/91/60/24/939916024.db2.gz	JFBZYEDECQRBPS-WMLDXEAASA-N	1	0	371.416	1.184	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(F)(F)C2)C[C@H]1c1cn(C)cn1	ZINC001130604818	939916132	/nfs/dbraw/zinc/91/61/32/939916132.db2.gz	PGFYGWUGBIGIRV-OFQRWUPVSA-N	1	0	350.413	1.763	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(F)c(F)c2)C[C@H]1c1cn(C)cn1	ZINC001130607488	939918875	/nfs/dbraw/zinc/91/88/75/939918875.db2.gz	DFCRXVHJAQPIHX-KBXCAEBGSA-N	1	0	358.392	1.919	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C23CCC(CC2)C3)C[C@H]1c1cn(C)cn1	ZINC001130617011	939928654	/nfs/dbraw/zinc/92/86/54/939928654.db2.gz	OKYXOGLDAKHMIW-ULRHQZHYSA-N	1	0	370.497	1.534	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn(C(C)(C)C)c2)C[C@H]1c1cn(C)cn1	ZINC001130619353	939930053	/nfs/dbraw/zinc/93/00/53/939930053.db2.gz	NPQFBOYDVGVALM-FUHWJXTLSA-N	1	0	368.485	1.593	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2ccncc2)C[C@H]1c1cn(C)cn1	ZINC001130619570	939930413	/nfs/dbraw/zinc/93/04/13/939930413.db2.gz	XHHMGOWTHHUWRV-PKOBYXMFSA-N	1	0	351.454	1.355	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2coc(OCC)n2)C[C@H]1c1cn(C)cn1	ZINC001130622001	939931900	/nfs/dbraw/zinc/93/19/00/939931900.db2.gz	LQKLJHWGXDDAGD-DZGCQCFKSA-N	1	0	359.430	1.581	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(CC)[nH]c(=O)c2)C[C@H]1c1cn(C)cn1	ZINC001130628521	939933992	/nfs/dbraw/zinc/93/39/92/939933992.db2.gz	VZRANQBQNODPCY-FUHWJXTLSA-N	1	0	369.469	1.857	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2nccc3occc32)C[C@H]1c1cn(C)cn1	ZINC001130630734	939934972	/nfs/dbraw/zinc/93/49/72/939934972.db2.gz	TWHUCUKOYGRSDP-DOTOQJQBSA-N	1	0	363.421	1.782	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130630824	939935064	/nfs/dbraw/zinc/93/50/64/939935064.db2.gz	XDQDNCBADJAIEM-JFRXWTBNSA-N	1	0	356.470	1.143	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc(F)c2F)C[C@H]1c1cn(C)cn1	ZINC001130654522	939948220	/nfs/dbraw/zinc/94/82/20/939948220.db2.gz	KLXIQAGNHMMWHS-WMLDXEAASA-N	1	0	358.392	1.919	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC#CCOC)C2)CC1	ZINC001130667011	939959133	/nfs/dbraw/zinc/95/91/33/939959133.db2.gz	DVAOEVHHTFBHAM-AZUAARDMSA-N	1	0	370.497	1.700	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2cccnc2C)C[C@H]1c1cn(C)cn1	ZINC001130671932	939970718	/nfs/dbraw/zinc/97/07/18/939970718.db2.gz	CSKYHOUZOUEBLF-PKOBYXMFSA-N	1	0	353.470	1.826	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cc2C)C[C@H]1c1cn(C)cn1	ZINC001130671904	939970721	/nfs/dbraw/zinc/97/07/21/939970721.db2.gz	BKOASQPNGOPGJM-DOTOQJQBSA-N	1	0	353.426	1.050	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)no2)C[C@H]1c1cn(C)cn1	ZINC001130687517	939977093	/nfs/dbraw/zinc/97/70/93/939977093.db2.gz	DOGQUDHDIPDTEZ-WMLDXEAASA-N	1	0	355.442	1.753	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccn(CC)n2)C[C@H]1c1cn(C)cn1	ZINC001130687508	939977189	/nfs/dbraw/zinc/97/71/89/939977189.db2.gz	CYBGKCCCUHNXRZ-MAUKXSAKSA-N	1	0	356.474	1.801	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc(C)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130692520	939981374	/nfs/dbraw/zinc/98/13/74/939981374.db2.gz	OHBPOVCHELUDLR-FUHWJXTLSA-N	1	0	354.458	1.601	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130712641	939999166	/nfs/dbraw/zinc/99/91/66/939999166.db2.gz	FIJOXVRPGCJZOD-DOTOQJQBSA-N	1	0	370.501	1.971	20	30		FDEDRO
CCn1cccc1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#CCOC)C1	ZINC001130728539	940016980	/nfs/dbraw/zinc/01/69/80/940016980.db2.gz	GEKWZDDJGVNVPG-FUHWJXTLSA-N	1	0	369.469	1.089	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COc2cccc(F)c2)C[C@H]1c1cn(C)cn1	ZINC001130728919	940017573	/nfs/dbraw/zinc/01/75/73/940017573.db2.gz	OVGCVJHWQXCZTO-PKOBYXMFSA-N	1	0	370.428	1.546	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnc(C3CC3)s2)C[C@H]1c1cn(C)cn1	ZINC001130719364	940022982	/nfs/dbraw/zinc/02/29/82/940022982.db2.gz	LXHVRKWQDDOTOK-GOEBONIOSA-N	1	0	369.494	1.975	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3cccnc3C2)C[C@H]1c1cn(C)cn1	ZINC001130722042	940025923	/nfs/dbraw/zinc/02/59/23/940025923.db2.gz	XPJRVUYJZHCGJA-FUHIMQAGSA-N	1	0	365.481	1.690	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)noc2CC)C[C@H]1c1cn(C)cn1	ZINC001130723468	940028035	/nfs/dbraw/zinc/02/80/35/940028035.db2.gz	LKKDISKBEHENNG-GOEBONIOSA-N	1	0	355.442	1.500	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2c(C)noc2C)C[C@H]1c1cn(C)cn1	ZINC001130723630	940028468	/nfs/dbraw/zinc/02/84/68/940028468.db2.gz	SCTXQFQZFGJGNQ-PKOBYXMFSA-N	1	0	369.469	1.565	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccnc2N(C)C)C[C@H]1c1cn(C)cn1	ZINC001130726459	940031108	/nfs/dbraw/zinc/03/11/08/940031108.db2.gz	YVXDCDIRESGOEL-FUHWJXTLSA-N	1	0	366.469	1.102	20	30		FDEDRO
C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000806737211	940032388	/nfs/dbraw/zinc/03/23/88/940032388.db2.gz	QLWVJKSMNRDFOJ-MAUKXSAKSA-N	1	0	363.458	1.723	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](F)Cc2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130734291	940034522	/nfs/dbraw/zinc/03/45/22/940034522.db2.gz	NHSRKULGSOPGEB-CMKODMSKSA-N	1	0	368.456	1.908	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2csc(C3CC3)n2)C[C@H]1c1cn(C)cn1	ZINC001130736266	940037121	/nfs/dbraw/zinc/03/71/21/940037121.db2.gz	AJRAPVMSZKQIAZ-GOEBONIOSA-N	1	0	369.494	1.975	20	30		FDEDRO
Cn1cnc([C@@H]2CN(C(=O)CC#Cc3ccccc3)C[C@H]2[NH2+]CCF)c1	ZINC001130731460	940044934	/nfs/dbraw/zinc/04/49/34/940044934.db2.gz	FLPURTRIRJUEAJ-PKOBYXMFSA-N	1	0	354.429	1.715	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cccnc3)n2)O1	ZINC001130745366	940049815	/nfs/dbraw/zinc/04/98/15/940049815.db2.gz	XZJZOJZZHMLNSR-LSDHHAIUSA-N	1	0	356.430	1.516	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C=Cc3ccco3)n2)O1	ZINC001130747585	940053117	/nfs/dbraw/zinc/05/31/17/940053117.db2.gz	YUDAVMFWLFDNJR-NEFCLYRVSA-N	1	0	357.414	1.723	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC)O2)n[nH]1	ZINC001130762402	940071022	/nfs/dbraw/zinc/07/10/22/940071022.db2.gz	USUGMAUBASLNEL-HZSPNIEDSA-N	1	0	351.451	1.232	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(C#N)[nH]3)n2)O1	ZINC001130775374	940092363	/nfs/dbraw/zinc/09/23/63/940092363.db2.gz	SSULEFMSDOGOLD-DZGCQCFKSA-N	1	0	369.429	1.320	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCCOC3)n2)O1	ZINC001130765251	940095158	/nfs/dbraw/zinc/09/51/58/940095158.db2.gz	JSPXNYKWPXOCAU-SOUVJXGZSA-N	1	0	363.462	1.233	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cncnc3C)n2)O1	ZINC001130767152	940100196	/nfs/dbraw/zinc/10/01/96/940100196.db2.gz	ADHPDEYDPKBFGD-DZGCQCFKSA-N	1	0	371.445	1.219	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H](C)C(C)C)n2)O1	ZINC001130767256	940100524	/nfs/dbraw/zinc/10/05/24/940100524.db2.gz	FRZNSOWWIZVOLM-HRCADAONSA-N	1	0	361.490	1.936	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)COC)n2)O1	ZINC001130769433	940106528	/nfs/dbraw/zinc/10/65/28/940106528.db2.gz	JJYKQLINIFFNRW-QLFBSQMISA-N	1	0	365.478	1.479	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC3CCCC3)O2)n[nH]1	ZINC001130769628	940106886	/nfs/dbraw/zinc/10/68/86/940106886.db2.gz	MMYFWSBCLODBKC-AEGPPILISA-N	1	0	360.462	1.580	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCC(C(=O)NCCC[NH+](CC)CC)CC2)c1	ZINC000806921257	940117973	/nfs/dbraw/zinc/11/79/73/940117973.db2.gz	ACZCCILQFKTJCQ-UHFFFAOYSA-N	1	0	370.497	1.763	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C#CC3CC3)n2)O1	ZINC001130785756	940120845	/nfs/dbraw/zinc/12/08/45/940120845.db2.gz	ZWXAYAHFRIJABO-JKSUJKDBSA-N	1	0	357.458	1.610	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)n3cccc3)n2)O1	ZINC001130776602	940125356	/nfs/dbraw/zinc/12/53/56/940125356.db2.gz	HMQHTZKBSIJWBQ-QLFBSQMISA-N	1	0	358.446	1.479	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cnco3)n2)O1	ZINC001130794330	940145492	/nfs/dbraw/zinc/14/54/92/940145492.db2.gz	SAFCFGNGNUNJSA-WDEREUQCSA-N	1	0	366.809	1.285	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](F)C(C)C)n2)O1	ZINC001130796222	940150290	/nfs/dbraw/zinc/15/02/90/940150290.db2.gz	MKOBOVLCELKPGN-GUTXKFCHSA-N	1	0	351.426	1.248	20	30		FDEDRO
C=C/C(C)=C\CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC#CC)O2)n[nH]1	ZINC001130796428	940151428	/nfs/dbraw/zinc/15/14/28/940151428.db2.gz	QTRAWIFMRSFPRJ-USCQQBMNSA-N	1	0	357.458	1.776	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3occ4c3CCC4)n2)O1	ZINC001130796425	940151476	/nfs/dbraw/zinc/15/14/76/940151476.db2.gz	QTEOAVBAKRNBQO-DZGCQCFKSA-N	1	0	371.441	1.812	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCC3(F)F)n2)O1	ZINC001130787579	940156744	/nfs/dbraw/zinc/15/67/44/940156744.db2.gz	ZIRVPUQODMNPSC-RWMBFGLXSA-N	1	0	367.400	1.299	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCC(C)(F)F)n2)O1	ZINC001130790342	940164438	/nfs/dbraw/zinc/16/44/38/940164438.db2.gz	VGEPGAPQWYEQKF-NWDGAFQWSA-N	1	0	355.389	1.299	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCCC34CC4)n2)O1	ZINC001130790416	940164636	/nfs/dbraw/zinc/16/46/36/940164636.db2.gz	YWVASBHTGZRKOD-RRFJBIMHSA-N	1	0	357.458	1.444	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3C[C@H]3C(C)(C)C)n2)O1	ZINC001130792369	940170073	/nfs/dbraw/zinc/17/00/73/940170073.db2.gz	ABGKHRLQJNJJLX-ZJIFWQFVSA-N	1	0	373.501	1.936	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cncc(CC)c3)n2)O1	ZINC001130792565	940170875	/nfs/dbraw/zinc/17/08/75/940170875.db2.gz	KPAJKQKMXGNTLN-JKSUJKDBSA-N	1	0	368.441	1.135	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@](C)(F)CCCC)n2)O1	ZINC001130792512	940170940	/nfs/dbraw/zinc/17/09/40/940170940.db2.gz	IAPRJOCKSZMLRA-PMUMKWKESA-N	1	0	365.453	1.782	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(CC)CCC3)n2)O1	ZINC001130802374	940197152	/nfs/dbraw/zinc/19/71/52/940197152.db2.gz	QQVWLWSYEZPPAC-LSDHHAIUSA-N	1	0	359.474	1.834	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)CC(C)C)n2)O1	ZINC001130815978	940217168	/nfs/dbraw/zinc/21/71/68/940217168.db2.gz	IMVLHDIZWNFCIX-HRCADAONSA-N	1	0	361.490	1.936	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCC3(C)CC3)n2)O1	ZINC001130816559	940218725	/nfs/dbraw/zinc/21/87/25/940218725.db2.gz	ZWYKFFZSNCANCR-LSDHHAIUSA-N	1	0	359.474	1.834	20	30		FDEDRO
CN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	ZINC000807249130	940284903	/nfs/dbraw/zinc/28/49/03/940284903.db2.gz	NBMLAEHXFFREPC-UHFFFAOYSA-N	1	0	370.478	1.923	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccn[nH]3)C2)cc1C#N	ZINC001086649332	940285047	/nfs/dbraw/zinc/28/50/47/940285047.db2.gz	UDERVJXVRNLSII-GOEBONIOSA-N	1	0	353.426	1.978	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CSCCC)C[C@H]1c1cncn1C	ZINC001130924783	940321415	/nfs/dbraw/zinc/32/14/15/940321415.db2.gz	DCFRIHORTSSOLH-HZPDHXFCSA-N	1	0	366.531	1.650	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)n2cccn2)C[C@H]1c1cncn1C	ZINC001130920638	940330568	/nfs/dbraw/zinc/33/05/68/940330568.db2.gz	BLONVXJSHOYIQE-BRWVUGGUSA-N	1	0	356.474	1.728	20	30		FDEDRO
C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@H]1c1cncn1C	ZINC001130920867	940330766	/nfs/dbraw/zinc/33/07/66/940330766.db2.gz	KTGIZQULRVXPIZ-BFHYXJOUSA-N	1	0	353.467	1.309	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccnc(OC)n2)C1	ZINC001130935936	940332208	/nfs/dbraw/zinc/33/22/08/940332208.db2.gz	RDLKTWGTBUJWME-HZPDHXFCSA-N	1	0	370.457	1.269	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnc(C)o2)C1	ZINC001130948582	940347010	/nfs/dbraw/zinc/34/70/10/940347010.db2.gz	RQFINRNXZMVCFN-HZPDHXFCSA-N	1	0	359.430	1.003	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CNC(=O)CC)C[C@H]1c1cncn1C	ZINC001130957459	940363127	/nfs/dbraw/zinc/36/31/27/940363127.db2.gz	UABAOEVMELMYMQ-ARFHVFGLSA-N	1	0	361.490	1.185	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CC2OCCCO2)C[C@H]1c1cncn1C	ZINC001130968546	940376102	/nfs/dbraw/zinc/37/61/02/940376102.db2.gz	DBJFQKJZYRIUNO-HZPDHXFCSA-N	1	0	362.474	1.423	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2nnn(C3CC3)c2C(F)(F)F)CC1	ZINC000747404117	940402683	/nfs/dbraw/zinc/40/26/83/940402683.db2.gz	GHMJWONXLPSONL-UHFFFAOYSA-N	1	0	355.364	1.849	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cn2cccc(C)c2=O)C[C@H]1c1cncn1C	ZINC001130988998	940411345	/nfs/dbraw/zinc/41/13/45/940411345.db2.gz	SHDFBATWGUFUKE-IAGOWNOFSA-N	1	0	369.469	1.051	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CCn2cc(Br)cn2)CC1	ZINC000747405259	940419075	/nfs/dbraw/zinc/41/90/75/940419075.db2.gz	XZWWKIMPZXJPQO-UHFFFAOYSA-N	1	0	353.264	1.640	20	30		FDEDRO
Cn1cncc1[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]CCOC1CCC1	ZINC001130985409	940422946	/nfs/dbraw/zinc/42/29/46/940422946.db2.gz	IOPXDRFUXWJMJT-QZTJIDSGSA-N	1	0	356.470	1.287	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cncn2C)C1	ZINC001131001674	940428270	/nfs/dbraw/zinc/42/82/70/940428270.db2.gz	IUFPLWQFZMCYCP-IAGOWNOFSA-N	1	0	356.474	1.594	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CC)C1)OCC	ZINC001131003528	940429483	/nfs/dbraw/zinc/42/94/83/940429483.db2.gz	IOAKQDVXRFCYHX-LMMKCTJWSA-N	1	0	358.486	1.699	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3nccn32)C[C@H]1c1cncn1C	ZINC001131007642	940433761	/nfs/dbraw/zinc/43/37/61/940433761.db2.gz	DMPFJZZEFHBOFI-ZACQAIPSSA-N	1	0	366.469	1.102	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]C[C@@H]3CCOC3)C2)CCC1	ZINC001131007615	940433951	/nfs/dbraw/zinc/43/39/51/940433951.db2.gz	CFTASDSGRSNPQR-RCCFBDPRSA-N	1	0	370.497	1.534	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3c([nH]2)CCOC3)C[C@H]1c1cncn1C	ZINC001131008169	940434828	/nfs/dbraw/zinc/43/48/28/940434828.db2.gz	VDOZGDAVDVLKGS-CRAIPNDOSA-N	1	0	367.453	1.042	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@H]1c1cncn1C	ZINC001131015122	940448655	/nfs/dbraw/zinc/44/86/55/940448655.db2.gz	OTALZRWBHGZCCV-YFHUEUNASA-N	1	0	368.485	1.797	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@H]1c1cncn1C	ZINC001131031136	940451108	/nfs/dbraw/zinc/45/11/08/940451108.db2.gz	IPUGCLPESZYSMV-DOEOUOAPSA-N	1	0	356.470	1.143	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CC2CC(F)(F)C2)C[C@H]1c1cncn1C	ZINC001131020204	940452556	/nfs/dbraw/zinc/45/25/56/940452556.db2.gz	NQPUYIMJWKXLON-HUUCEWRRSA-N	1	0	350.413	1.763	20	30		FDEDRO
CN1Cc2ccccc2[C@@H](NC(=O)C(=O)NCc2cc(C#N)ccc2F)C1	ZINC000807674945	940452824	/nfs/dbraw/zinc/45/28/24/940452824.db2.gz	ATOIXVGJUSZQNP-SFHVURJKSA-N	1	0	366.396	1.616	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccnc2C2CC2)C[C@H]1c1cncn1C	ZINC001131023293	940456574	/nfs/dbraw/zinc/45/65/74/940456574.db2.gz	WOXLXOUJUMCTBJ-QZTJIDSGSA-N	1	0	363.465	1.914	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3ccccc3O2)C[C@H]1c1cncn1C	ZINC001131025941	940459008	/nfs/dbraw/zinc/45/90/08/940459008.db2.gz	LITWGDKGWHABMC-MBOZVWFJSA-N	1	0	364.449	1.331	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC(C)(C)CO2)C[C@H]1c1cncn1C	ZINC001131028710	940463058	/nfs/dbraw/zinc/46/30/58/940463058.db2.gz	DXLUVXOUTNFLOQ-BRWVUGGUSA-N	1	0	358.486	1.533	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(F)ccc2OC)C[C@H]1c1cncn1C	ZINC001131038321	940466416	/nfs/dbraw/zinc/46/64/16/940466416.db2.gz	MFTXUFKUKNKXIF-IAGOWNOFSA-N	1	0	370.428	1.789	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2cn(CC)nn2)C[C@H]1c1cncn1C	ZINC001131033446	940470141	/nfs/dbraw/zinc/47/01/41/940470141.db2.gz	OSEASISUEWLOFH-IAGOWNOFSA-N	1	0	371.489	1.124	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC=CCC2)C[C@H]1c1cncn1C	ZINC001131041777	940471385	/nfs/dbraw/zinc/47/13/85/940471385.db2.gz	DHBSHETWKGDTOQ-GUDVDZBRSA-N	1	0	370.497	1.700	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOCC(F)F)C1	ZINC001131044189	940473230	/nfs/dbraw/zinc/47/32/30/940473230.db2.gz	RXWMMDAZTUEQOW-ZIAGYGMSSA-N	1	0	370.444	1.798	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2cccnc2)C[C@H]1c1cncn1C	ZINC001131072331	940485312	/nfs/dbraw/zinc/48/53/12/940485312.db2.gz	SXMVXMBJOOFHHZ-CGTJXYLNSA-N	1	0	367.453	1.190	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2coc(C3CC3)n2)C[C@H]1c1cncn1C	ZINC001131084004	940489096	/nfs/dbraw/zinc/48/90/96/940489096.db2.gz	ILLLXBOARJHYGU-HUUCEWRRSA-N	1	0	353.426	1.507	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnc(C3CC3)nc2)C[C@H]1c1cncn1C	ZINC001131084264	940489232	/nfs/dbraw/zinc/48/92/32/940489232.db2.gz	PURKUDYVISMWAW-IAGOWNOFSA-N	1	0	364.453	1.309	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)n[nH]2)C[C@H]1c1cncn1C	ZINC001131074220	940490608	/nfs/dbraw/zinc/49/06/08/940490608.db2.gz	ZMAKOPCEUJUIHC-RHSMWYFYSA-N	1	0	354.458	1.488	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cncn2C)C1	ZINC001131079440	940492126	/nfs/dbraw/zinc/49/21/26/940492126.db2.gz	LLVOTWKHYPGQKG-IAGOWNOFSA-N	1	0	370.501	1.840	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)CC(C)C)C[C@H]1c1cncn1C	ZINC001131098629	940492965	/nfs/dbraw/zinc/49/29/65/940492965.db2.gz	IIFLSWMEIAFULU-KZNAEPCWSA-N	1	0	360.502	1.636	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2coc(CC3CC3)n2)C[C@H]1c1cncn1C	ZINC001131098647	940492975	/nfs/dbraw/zinc/49/29/75/940492975.db2.gz	IYOBSYIGEYPADP-HZPDHXFCSA-N	1	0	367.453	1.582	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCC2)C[C@H]1c1cncn1C	ZINC001131086579	940493634	/nfs/dbraw/zinc/49/36/34/940493634.db2.gz	UOUVHHZBJBMQBS-WJFTUGDTSA-N	1	0	370.497	1.390	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2ncccn2)C[C@H]1c1cncn1C	ZINC001131092069	940496058	/nfs/dbraw/zinc/49/60/58/940496058.db2.gz	ZQVGNJYCJGQIQN-HZPDHXFCSA-N	1	0	354.458	1.303	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1c1cncn1C	ZINC001131093823	940496666	/nfs/dbraw/zinc/49/66/66/940496666.db2.gz	MIPCEIFQLNGCJD-ARFHVFGLSA-N	1	0	356.474	1.625	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn(C(F)F)c2)C[C@H]1c1cncn1C	ZINC001131096698	940497358	/nfs/dbraw/zinc/49/73/58/940497358.db2.gz	LPWFVXRGTVPKPP-ZIAGYGMSSA-N	1	0	362.384	1.233	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cccc2)C[C@H]1c1cncn1C	ZINC001131112775	940498954	/nfs/dbraw/zinc/49/89/54/940498954.db2.gz	MNIYULGDVZTRLH-KZNAEPCWSA-N	1	0	353.470	1.780	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]C/C=C/Cl)C2)cn1	ZINC001131112787	940499015	/nfs/dbraw/zinc/49/90/15/940499015.db2.gz	MYSWNHOVBRZNLO-MWRSBEEJSA-N	1	0	369.856	1.747	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3n[nH]cc3C2)C[C@H]1c1cncn1C	ZINC001131107832	940502293	/nfs/dbraw/zinc/50/22/93/940502293.db2.gz	BKUADVSASVWVHV-QGPMSJSTSA-N	1	0	368.485	1.408	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3nccn3c2)C[C@H]1c1cncn1C	ZINC001131108368	940502663	/nfs/dbraw/zinc/50/26/63/940502663.db2.gz	RJLRJKQJIKSLFZ-IAGOWNOFSA-N	1	0	364.453	1.842	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccccc2OC)C[C@H]1c1cncn1C	ZINC001131119740	940505540	/nfs/dbraw/zinc/50/55/40/940505540.db2.gz	SVPIMOAJBNZITD-QZTJIDSGSA-N	1	0	366.465	1.579	20	30		FDEDRO
Cn1cncc1[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1NCC#N	ZINC001131125577	940507699	/nfs/dbraw/zinc/50/76/99/940507699.db2.gz	HOSCBQUIZVSNCW-IAGOWNOFSA-N	1	0	358.490	1.094	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCNC(=O)CC(C)C)C[C@H]1c1cncn1C	ZINC001131138784	940509531	/nfs/dbraw/zinc/50/95/31/940509531.db2.gz	VMHWWTBKQIHCCY-HZPDHXFCSA-N	1	0	361.490	1.043	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC[C@@H](C)O)C1	ZINC001131136703	940513711	/nfs/dbraw/zinc/51/37/11/940513711.db2.gz	ZWBIQIXJAOLMSS-BRWVUGGUSA-N	1	0	364.490	1.058	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3nccnc3N)C2)cc1	ZINC001086661846	940535854	/nfs/dbraw/zinc/53/58/54/940535854.db2.gz	LRLHAIZLZBOAEJ-JKSUJKDBSA-N	1	0	350.426	1.619	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cnccn2)C1	ZINC001131297848	940544918	/nfs/dbraw/zinc/54/49/18/940544918.db2.gz	MPUPOOVQYPPGPR-UAGQMJEPSA-N	1	0	371.441	1.162	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCOC)C1	ZINC001131297977	940545044	/nfs/dbraw/zinc/54/50/44/940545044.db2.gz	QCNNEPFGHLRNSQ-OAGGEKHMSA-N	1	0	351.447	1.095	20	30		FDEDRO
C=CCN1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1	ZINC001131313049	940552708	/nfs/dbraw/zinc/55/27/08/940552708.db2.gz	GFETVBMDHATYJV-ZACQAIPSSA-N	1	0	364.490	1.010	20	30		FDEDRO
C=C(C)CN1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1	ZINC001131313465	940553138	/nfs/dbraw/zinc/55/31/38/940553138.db2.gz	SWMSFIUGLYSRPQ-ZACQAIPSSA-N	1	0	364.490	1.010	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ccnnc2)C1	ZINC001131313437	940553180	/nfs/dbraw/zinc/55/31/80/940553180.db2.gz	RIHKLHKJPWCVBF-ZACQAIPSSA-N	1	0	371.441	1.162	20	30		FDEDRO
C[C@H]1CCCCN1C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1	ZINC001086668567	940563370	/nfs/dbraw/zinc/56/33/70/940563370.db2.gz	SURSONFDOUAPAC-YQQAZPJKSA-N	1	0	371.485	1.775	20	30		FDEDRO
C[C@H]1CCCN(C(=O)C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1	ZINC001086668357	940566139	/nfs/dbraw/zinc/56/61/39/940566139.db2.gz	NQNJGXNITLBBKV-YQQAZPJKSA-N	1	0	371.485	1.633	20	30		FDEDRO
CC[C@@H](C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CSCC#N)CC1)OC	ZINC001131429735	940567516	/nfs/dbraw/zinc/56/75/16/940567516.db2.gz	ULVUDTPWOMAGDF-JZXOWHBKSA-N	1	0	369.531	1.654	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCC(C)=O)CC1	ZINC001131419156	940568120	/nfs/dbraw/zinc/56/81/20/940568120.db2.gz	SWQSNFOKZUKNFT-QUCCMNQESA-N	1	0	364.486	1.381	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](CC)OCC)CC1	ZINC001131439667	940588858	/nfs/dbraw/zinc/58/88/58/940588858.db2.gz	NOUYWQDYGZUFBJ-QYZOEREBSA-N	1	0	368.518	1.990	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCOC(C)C)CC1	ZINC001131431888	940595391	/nfs/dbraw/zinc/59/53/91/940595391.db2.gz	TVOVUKKCZBKJCX-QUCCMNQESA-N	1	0	366.502	1.437	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2=COCCC2)CC1	ZINC001131448644	940602139	/nfs/dbraw/zinc/60/21/39/940602139.db2.gz	KFZGBDOJIFMFFS-MOPGFXCFSA-N	1	0	364.486	1.869	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCC(F)F)CC1	ZINC001131451050	940604291	/nfs/dbraw/zinc/60/42/91/940604291.db2.gz	DTGOAYWYZLDMHQ-XPKDYRNWSA-N	1	0	359.417	1.413	20	30		FDEDRO
C=CCOCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H](C)O)CC1	ZINC001131467789	940624319	/nfs/dbraw/zinc/62/43/19/940624319.db2.gz	QEZVXLTYGIAPDH-SUMDDJOVSA-N	1	0	354.491	1.336	20	30		FDEDRO
C#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H]2CCN(C)C2=O)CC1	ZINC001131487703	940631262	/nfs/dbraw/zinc/63/12/62/940631262.db2.gz	AQCPOUASIUOLEL-LMMKCTJWSA-N	1	0	361.486	1.006	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC(=O)NCC)CC1	ZINC001131478825	940634680	/nfs/dbraw/zinc/63/46/80/940634680.db2.gz	MDHWSRQZLPQRLU-MDYRTPRTSA-N	1	0	365.518	1.853	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(OC)ncn2)CC1	ZINC001131495703	940646827	/nfs/dbraw/zinc/64/68/27/940646827.db2.gz	BAEDEEGNCPSLLR-QAPCUYQASA-N	1	0	358.442	1.108	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c(Cl)cnn2C)CC1	ZINC001131496013	940647138	/nfs/dbraw/zinc/64/71/38/940647138.db2.gz	KSZOOERQNDFTPJ-WBVHZDCISA-N	1	0	364.877	1.696	20	30		FDEDRO
CC[C@@H](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NCC#N)CC1	ZINC001131496421	940647936	/nfs/dbraw/zinc/64/79/36/940647936.db2.gz	ZWAHGMPPCWSMNY-OGWOLHLISA-N	1	0	364.490	1.048	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccns2)CC1	ZINC001131510603	940659941	/nfs/dbraw/zinc/65/99/41/940659941.db2.gz	SFOTYMOVRSYOQW-WBVHZDCISA-N	1	0	365.499	1.945	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccnc3[nH]cnc32)CC1	ZINC001131506697	940668725	/nfs/dbraw/zinc/66/87/25/940668725.db2.gz	LCQBMYKIYYXIPT-AEFFLSMTSA-N	1	0	367.453	1.581	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2ccnn2C)CC1	ZINC001131506883	940669501	/nfs/dbraw/zinc/66/95/01/940669501.db2.gz	UPDBHTZATHUJST-QUCCMNQESA-N	1	0	358.486	1.362	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ncc(OC)cn2)CC1	ZINC001131528077	940697508	/nfs/dbraw/zinc/69/75/08/940697508.db2.gz	KDMOUUGGGUDDEQ-SJORKVTESA-N	1	0	360.458	1.661	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](CCC)OC)CC1	ZINC001131541291	940715236	/nfs/dbraw/zinc/71/52/36/940715236.db2.gz	GYUWJDAUEKCGDP-QRVBRYPASA-N	1	0	368.518	1.990	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H](O)COC)CC1	ZINC001131545815	940721318	/nfs/dbraw/zinc/72/13/18/940721318.db2.gz	FDGHHGIMNKYRHO-BBWFWOEESA-N	1	0	354.491	1.192	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(C(N)=O)CC2)CC1	ZINC001131552248	940728534	/nfs/dbraw/zinc/72/85/34/940728534.db2.gz	HNJZAOWWGFEENJ-UAGQMJEPSA-N	1	0	363.502	1.592	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]C[C@@H](C)OC)CC2)c1	ZINC001131562186	940735986	/nfs/dbraw/zinc/73/59/86/940735986.db2.gz	OBKFSVRTZCMLFC-YSGRDPCXSA-N	1	0	371.481	1.697	20	30		FDEDRO
C=C1CCC(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(=O)NC)CC2)CC1	ZINC001131564364	940740521	/nfs/dbraw/zinc/74/05/21/940740521.db2.gz	JHUQLRPPRRDTBZ-MJGOQNOKSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2OCC[C@H]2C)CC1	ZINC001131564344	940740577	/nfs/dbraw/zinc/74/05/77/940740577.db2.gz	ILRUZCYBBGFDKC-YSHGAJCASA-N	1	0	366.502	1.600	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](CC)NC(C)=O)CC1	ZINC001131570456	940746275	/nfs/dbraw/zinc/74/62/75/940746275.db2.gz	HMBCZIIUHVRGRS-KURKYZTESA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC1	ZINC001131571223	940747558	/nfs/dbraw/zinc/74/75/58/940747558.db2.gz	HAABDLBGTRGAGJ-UAGQMJEPSA-N	1	0	351.491	1.320	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H](C)n2ccnc2)CC1	ZINC001131572972	940748946	/nfs/dbraw/zinc/74/89/46/940748946.db2.gz	PNMBWVVRNDIOCB-POAQFYNOSA-N	1	0	358.486	1.843	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c[nH]c(C)cc2=O)CC1	ZINC001131587837	940756599	/nfs/dbraw/zinc/75/65/99/940756599.db2.gz	CCOSMICPNDAGQK-MJGOQNOKSA-N	1	0	357.454	1.306	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCOCCCOC)CC1	ZINC001131590620	940760169	/nfs/dbraw/zinc/76/01/69/940760169.db2.gz	LLRSEUROMOCJPI-QUCCMNQESA-N	1	0	366.502	1.439	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cncc(F)c3)C2)C1=O	ZINC001086671956	940779423	/nfs/dbraw/zinc/77/94/23/940779423.db2.gz	YKUFPBFADQVRHC-XKQJLSEDSA-N	1	0	360.433	1.496	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)OCCOCC)CC1	ZINC001131606895	940780893	/nfs/dbraw/zinc/78/08/93/940780893.db2.gz	LUJGYYAWUCSNPG-JQHSSLGASA-N	1	0	352.475	1.047	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c(C)nn(C)c2F)CC1	ZINC001131599681	940783072	/nfs/dbraw/zinc/78/30/72/940783072.db2.gz	GUJZYWOKWOGABO-WBVHZDCISA-N	1	0	362.449	1.490	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCCC(=O)NC)CC1	ZINC001131608484	940788057	/nfs/dbraw/zinc/78/80/57/940788057.db2.gz	BMOHVPKWEMBUJI-XLIONFOSSA-N	1	0	365.518	1.855	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(N(C)C)cn2)CC1	ZINC001131608759	940788620	/nfs/dbraw/zinc/78/86/20/940788620.db2.gz	LOASRCFXJZNHON-QUCCMNQESA-N	1	0	370.497	1.770	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCOC)CC1	ZINC001131610407	940790361	/nfs/dbraw/zinc/79/03/61/940790361.db2.gz	PDMGCECGIMUJNI-NXHRZFHOSA-N	1	0	354.491	1.600	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCC)cc1	ZINC000809236286	940791201	/nfs/dbraw/zinc/79/12/01/940791201.db2.gz	KXGKEVNBIUAUIW-HNNXBMFYSA-N	1	0	365.499	1.448	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC23CCOCC3)CC1	ZINC001131617527	940794563	/nfs/dbraw/zinc/79/45/63/940794563.db2.gz	ULBUZDWCZNSRTE-OTWHNJEPSA-N	1	0	360.498	1.812	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)CC1	ZINC001131617877	940795188	/nfs/dbraw/zinc/79/51/88/940795188.db2.gz	XWNJDIBSUSACBZ-FGTMMUONSA-N	1	0	363.502	1.156	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1)[C@@H]1CCCO1	ZINC000809313516	940817653	/nfs/dbraw/zinc/81/76/53/940817653.db2.gz	SWOZUUAEJNREPG-MOPGFXCFSA-N	1	0	371.481	1.394	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)cc1C#N	ZINC000809504217	940846124	/nfs/dbraw/zinc/84/61/24/940846124.db2.gz	HWGVHUNDKSURIQ-UHFFFAOYSA-N	1	0	358.442	1.172	20	30		FDEDRO
C#CC[C@@]1(C(=O)NCCOCC[NH+](C)C)CCCN1C(=O)OC(C)(C)C	ZINC000809750073	940894699	/nfs/dbraw/zinc/89/46/99/940894699.db2.gz	VVUVSYOTKYHLPS-IBGZPJMESA-N	1	0	367.490	1.474	20	30		FDEDRO
C#CC[C@]1(C(=O)NCCOCC[NH+](C)C)CCCN1C(=O)OC(C)(C)C	ZINC000809750076	940894813	/nfs/dbraw/zinc/89/48/13/940894813.db2.gz	VVUVSYOTKYHLPS-LJQANCHMSA-N	1	0	367.490	1.474	20	30		FDEDRO
CCCn1ncnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1	ZINC001086675953	940923512	/nfs/dbraw/zinc/92/35/12/940923512.db2.gz	HBTMQJCTTRVWDU-UONOGXRCSA-N	1	0	355.446	1.576	20	30		FDEDRO
CC(C)(C)N1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1=O	ZINC001086676301	940933116	/nfs/dbraw/zinc/93/31/16/940933116.db2.gz	QRSDOSPSXFHTEB-JJRVBVJISA-N	1	0	371.485	1.774	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C(N)=O)cc3)C2)c[nH]1	ZINC001086676766	940949170	/nfs/dbraw/zinc/94/91/70/940949170.db2.gz	UOQMGIUHUVOVLC-WMLDXEAASA-N	1	0	365.437	1.674	20	30		FDEDRO
CCCCn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1	ZINC001086676827	940949465	/nfs/dbraw/zinc/94/94/65/940949465.db2.gz	WUKRFOPZKNATTQ-DZGCQCFKSA-N	1	0	370.461	1.361	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccc(Cl)cc1	ZINC000810474675	940999112	/nfs/dbraw/zinc/99/91/12/940999112.db2.gz	UAXSZWRCJPQLIN-INIZCTEOSA-N	1	0	373.844	1.527	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000810837625	941066697	/nfs/dbraw/zinc/06/66/97/941066697.db2.gz	JYIYAJZWUFZWIR-HZPDHXFCSA-N	1	0	364.467	1.935	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)O[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1	ZINC000810845713	941067453	/nfs/dbraw/zinc/06/74/53/941067453.db2.gz	DCJUTIIUXDVQMD-CVEARBPZSA-N	1	0	364.467	1.935	20	30		FDEDRO
Cn1cnc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(F)ccc3C#N)C2)n1	ZINC001086688557	941081717	/nfs/dbraw/zinc/08/17/17/941081717.db2.gz	YHHFNHVCZFTELB-BLLLJJGKSA-N	1	0	356.405	1.514	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cnn(CC)n2)C1	ZINC001086690513	941099731	/nfs/dbraw/zinc/09/97/31/941099731.db2.gz	PCJKPOXMTCXQBL-NWDGAFQWSA-N	1	0	356.268	1.695	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@H](O)Cn2cnc3cc(C)c(C)cc32)CC1	ZINC000747816749	941271449	/nfs/dbraw/zinc/27/14/49/941271449.db2.gz	UJEGVCMVCPSSHF-SFHVURJKSA-N	1	0	368.481	1.475	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1	ZINC000747816855	941271457	/nfs/dbraw/zinc/27/14/57/941271457.db2.gz	YXOJAFWEUYFJLD-UHFFFAOYSA-N	1	0	370.497	1.172	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccccc2C)CC1	ZINC000747817956	941272418	/nfs/dbraw/zinc/27/24/18/941272418.db2.gz	AKLYHQFWJBFCJF-QGZVFWFLSA-N	1	0	355.482	1.803	20	30		FDEDRO
CCN1C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)CC1=O	ZINC001086710613	941359106	/nfs/dbraw/zinc/35/91/06/941359106.db2.gz	GIGLSAVYDRVTKU-IPMKNSEASA-N	1	0	368.481	1.801	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc4n(n3)CCC4)C2)C1=O	ZINC001086712619	941415558	/nfs/dbraw/zinc/41/55/58/941415558.db2.gz	PYGAEKXLGCVKMV-UXLLHSPISA-N	1	0	371.485	1.104	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000813837775	941484083	/nfs/dbraw/zinc/48/40/83/941484083.db2.gz	WFJREJNVXUAZCJ-MRXNPFEDSA-N	1	0	366.506	1.258	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)Cc1ccc(F)cc1	ZINC001134062070	941540958	/nfs/dbraw/zinc/54/09/58/941540958.db2.gz	QDCJMQBBCHTJIT-SJORKVTESA-N	1	0	363.433	1.081	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)Nc1cc(C)ccc1C	ZINC001134062382	941541306	/nfs/dbraw/zinc/54/13/06/941541306.db2.gz	YTIMZPAPLAABRO-JZXOWHBKSA-N	1	0	359.470	1.927	20	30		FDEDRO
Cn1cnc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)cc1=O	ZINC001086721210	941644705	/nfs/dbraw/zinc/64/47/05/941644705.db2.gz	LOXHGSRANRPHJQ-WMLDXEAASA-N	1	0	365.437	1.340	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@@H](O)COCc2ccccc2OC)CC1	ZINC000747969108	941708480	/nfs/dbraw/zinc/70/84/80/941708480.db2.gz	QUCGSOSSQVFLTE-GOSISDBHSA-N	1	0	360.454	1.034	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000747979946	941727511	/nfs/dbraw/zinc/72/75/11/941727511.db2.gz	NPFNIVOHGGMOMH-LJQANCHMSA-N	1	0	368.481	1.432	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NCc2cccc(C[N@@H+](C)CC)c2)CC1	ZINC000747984963	941741606	/nfs/dbraw/zinc/74/16/06/941741606.db2.gz	YDAPVDTVQVXIEH-UHFFFAOYSA-N	1	0	370.497	1.809	20	30		FDEDRO
C#CCNC(=O)CC[NH+]1CCN(c2ccc(Br)cn2)CC1	ZINC000815014361	941753753	/nfs/dbraw/zinc/75/37/53/941753753.db2.gz	LVBWCCZJCAQCCC-UHFFFAOYSA-N	1	0	351.248	1.106	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815082708	941776930	/nfs/dbraw/zinc/77/69/30/941776930.db2.gz	DQZXSAPUWWHKCY-UHFFFAOYSA-N	1	0	363.798	1.621	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1	ZINC000815082330	941777306	/nfs/dbraw/zinc/77/73/06/941777306.db2.gz	LEYAWZOCEXCFOK-UHFFFAOYSA-N	1	0	364.389	1.960	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1ccccc1F	ZINC001135041940	941859900	/nfs/dbraw/zinc/85/99/00/941859900.db2.gz	IWNLHWVSTHQOPW-JKSUJKDBSA-N	1	0	360.433	1.397	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)C1=O	ZINC001135045397	941876030	/nfs/dbraw/zinc/87/60/30/941876030.db2.gz	AZTXSCRHFSXVAV-GVDBMIGSSA-N	1	0	361.873	1.936	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCc1cccs1	ZINC001135064312	941881747	/nfs/dbraw/zinc/88/17/47/941881747.db2.gz	AHZCZALDTFQDTK-RDJZCZTQSA-N	1	0	365.499	1.441	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC1CCCC1	ZINC001135067655	941883234	/nfs/dbraw/zinc/88/32/34/941883234.db2.gz	GLJQCWSKPRDNQG-PVAVHDDUSA-N	1	0	351.491	1.511	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC1CCC(C)CC1	ZINC001135067778	941883342	/nfs/dbraw/zinc/88/33/42/941883342.db2.gz	LXNCAYLYFQKILU-AKSNENBUSA-N	1	0	365.518	1.758	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCc2ccccc2NC1=O	ZINC001135142198	941927259	/nfs/dbraw/zinc/92/72/59/941927259.db2.gz	KSWFKLWIHPNGBS-JQHSSLGASA-N	1	0	357.454	1.627	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1cccc(CC)c1	ZINC001135145808	941929716	/nfs/dbraw/zinc/92/97/16/941929716.db2.gz	UULPEZFSJIIOPC-HKUYNNGSSA-N	1	0	359.470	1.875	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCN(c2ccccc2)C1=O	ZINC001135145735	941929737	/nfs/dbraw/zinc/92/97/37/941929737.db2.gz	RKQURBNNVLLFJO-BZSNNMDCSA-N	1	0	357.454	1.479	20	30		FDEDRO
Cn1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)cc1=O	ZINC001086735663	942102383	/nfs/dbraw/zinc/10/23/83/942102383.db2.gz	IEUVRWNJSLRSBM-PKOBYXMFSA-N	1	0	364.449	1.945	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1	ZINC001086737079	942125561	/nfs/dbraw/zinc/12/55/61/942125561.db2.gz	WEALMXYELPLUHW-YNEHKIRRSA-N	1	0	353.854	1.173	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ncccc3CC)C2)C1=O	ZINC001086739255	942159780	/nfs/dbraw/zinc/15/97/80/942159780.db2.gz	PTFJYMPAPQPBQO-CGTJXYLNSA-N	1	0	370.497	1.919	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1OCC[C@H]1C(C)C	ZINC001170829763	942242073	/nfs/dbraw/zinc/24/20/73/942242073.db2.gz	WOVNFJTYWRCJAN-BQFCYCMXSA-N	1	0	353.507	1.614	20	30		FDEDRO
C#C[C@H]([NH2+]C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)C(C)C	ZINC000816607062	942274255	/nfs/dbraw/zinc/27/42/55/942274255.db2.gz	DNGKJQFXPZBBNI-CVEARBPZSA-N	1	0	351.491	1.997	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccccc2OCC(N)=O)C1	ZINC001086751592	942285621	/nfs/dbraw/zinc/28/56/21/942285621.db2.gz	VJCFHBXTKDAVQN-UONOGXRCSA-N	1	0	365.861	1.791	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CCCOc2ccc(OC)cc2)C[C@H]1O	ZINC001195333820	970902175	/nfs/dbraw/zinc/90/21/75/970902175.db2.gz	OFZOFTRRVQSWDJ-QZTJIDSGSA-N	1	0	362.470	1.838	20	30		FDEDRO
Cn1c(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)c[nH]c1=O	ZINC001086777140	942475611	/nfs/dbraw/zinc/47/56/11/942475611.db2.gz	DHUBEDNSYDLUQT-JKSUJKDBSA-N	1	0	353.426	1.686	20	30		FDEDRO
CN1C(=O)CC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001086784793	942495561	/nfs/dbraw/zinc/49/55/61/942495561.db2.gz	SWRLBAYSPYYYCD-RCCFBDPRSA-N	1	0	354.454	1.554	20	30		FDEDRO
C=C1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC1	ZINC001086794015	942533084	/nfs/dbraw/zinc/53/30/84/942533084.db2.gz	XVVBFCKRNMOSLM-DOTOQJQBSA-N	1	0	361.486	1.756	20	30		FDEDRO
C[C@@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1C[C@H]1c1ccncc1	ZINC001170863718	942737524	/nfs/dbraw/zinc/73/75/24/942737524.db2.gz	XXXAGTBXWGIGKU-BHYGNILZSA-N	1	0	357.458	1.089	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2nc3c(s2)CC[C@@H](C(=O)OC)C3)CC1	ZINC000817465495	942800984	/nfs/dbraw/zinc/80/09/84/942800984.db2.gz	PBVMLYNDGVESGS-CYBMUJFWSA-N	1	0	361.467	1.705	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1	ZINC000817786271	942977318	/nfs/dbraw/zinc/97/73/18/942977318.db2.gz	VEWIFLCMZZPMGM-CVEARBPZSA-N	1	0	351.491	1.951	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)c1	ZINC000817818422	943022074	/nfs/dbraw/zinc/02/20/74/943022074.db2.gz	BWUSODNGDKVVFG-UHFFFAOYSA-N	1	0	371.481	1.290	20	30		FDEDRO
N#Cc1cc(N[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)ccc1N1CCC(O)CC1	ZINC000817920566	943078028	/nfs/dbraw/zinc/07/80/28/943078028.db2.gz	PRFBXEDTHRLUAO-UXHICEINSA-N	1	0	356.470	1.698	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C[NH3+])C2CCCC2)ccc1F	ZINC000818002196	943104035	/nfs/dbraw/zinc/10/40/35/943104035.db2.gz	WAUWKXPVEXKKSD-OAHLLOKOSA-N	1	0	369.462	1.537	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)ccc1F	ZINC000818016160	943153412	/nfs/dbraw/zinc/15/34/12/943153412.db2.gz	DZHDSWPLFZACHB-KRWDZBQOSA-N	1	0	367.446	1.258	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCCC2)N1CCN(c2ccc(F)cc2)CC1	ZINC000113995384	970968755	/nfs/dbraw/zinc/96/87/55/970968755.db2.gz	VEPCNQDQUBXUBE-UHFFFAOYSA-N	1	0	371.464	1.651	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1	ZINC000818584269	943294477	/nfs/dbraw/zinc/29/44/77/943294477.db2.gz	KLHAAZCBXGCKDB-UHFFFAOYSA-N	1	0	358.410	1.509	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C1CCN(C(=O)[C@H](C)CSC)CC1	ZINC000818615675	943304492	/nfs/dbraw/zinc/30/44/92/943304492.db2.gz	TZDGDHBJEVQHDJ-OAHLLOKOSA-N	1	0	353.532	1.295	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCn3cncn3)C2)cc1	ZINC001086821957	943319760	/nfs/dbraw/zinc/31/97/60/943319760.db2.gz	JNVYWBHHMAEGRM-FUHWJXTLSA-N	1	0	367.453	1.478	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CN1c2ccccc2OC(F)(F)C1=O	ZINC000818593067	943323735	/nfs/dbraw/zinc/32/37/35/943323735.db2.gz	JXDRFZJTMBVXJN-UHFFFAOYSA-N	1	0	351.353	1.076	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)COC1(C)CN(C(=O)OC(C)(C)C)C1	ZINC000818602746	943328604	/nfs/dbraw/zinc/32/86/04/943328604.db2.gz	BKJOWTJGSFCUMG-UHFFFAOYSA-N	1	0	353.463	1.084	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@H]1CCCN(c2ncnc3sccc32)C1	ZINC000818606607	943330812	/nfs/dbraw/zinc/33/08/12/943330812.db2.gz	ZDBXNRZOBOCELH-HNNXBMFYSA-N	1	0	371.510	1.979	20	30		FDEDRO
N#Cc1ccc(NCC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])nc1	ZINC000818952825	943361753	/nfs/dbraw/zinc/36/17/53/943361753.db2.gz	YUYDWHSDGQVCIS-CQSZACIVSA-N	1	0	357.370	1.303	20	30		FDEDRO
CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]CCNc2ncccc2C#N)cc1	ZINC000818976239	943390314	/nfs/dbraw/zinc/39/03/14/943390314.db2.gz	XVJYASABOQYMNA-INIZCTEOSA-N	1	0	360.439	1.092	20	30		FDEDRO
O=C(NCC[NH2+]C[C@H](O)c1ccc(F)cc1Cl)C1N=CC=CC1=O	ZINC000819050602	943395224	/nfs/dbraw/zinc/39/52/24/943395224.db2.gz	UEPPQYULUKZRRT-DQHOPXMZSA-N	1	0	353.781	1.629	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1	ZINC000819015682	943402764	/nfs/dbraw/zinc/40/27/64/943402764.db2.gz	NJQZFCKSYRINSC-AWEZNQCLSA-N	1	0	350.260	1.757	20	30		FDEDRO
C=C[C@@H]1C[C@]1(Nc1ncccc1C(=O)NCCC[NH+](C)C)C(=O)OCC	ZINC001170922170	943412672	/nfs/dbraw/zinc/41/26/72/943412672.db2.gz	FOINSVZBQFOPOV-AUUYWEPGSA-N	1	0	360.458	1.683	20	30		FDEDRO
C#CCCC[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)CCC	ZINC000819116356	943447269	/nfs/dbraw/zinc/44/72/69/943447269.db2.gz	RAHNGKQPHVOFRV-UHFFFAOYSA-N	1	0	357.497	1.647	20	30		FDEDRO
CN(CC[NH2+]C[C@H](O)c1ccc(C#N)cc1)S(=O)(=O)c1cccs1	ZINC000819180239	943465285	/nfs/dbraw/zinc/46/52/85/943465285.db2.gz	PINKEMUQBSPTRU-HNNXBMFYSA-N	1	0	365.480	1.563	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1	ZINC000819221106	943493418	/nfs/dbraw/zinc/49/34/18/943493418.db2.gz	BCVJPRWYSVYDOA-AWEZNQCLSA-N	1	0	351.390	1.799	20	30		FDEDRO
C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]C[C@@H](O)c1ccc(C#N)cc1	ZINC000819299653	943509422	/nfs/dbraw/zinc/50/94/22/943509422.db2.gz	YWIXLGQVRWWKTD-HNAYVOBHSA-N	1	0	373.478	1.938	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@H+](CCC(=O)OC(C)(C)C)C1CCOCC1	ZINC001195537037	971030074	/nfs/dbraw/zinc/03/00/74/971030074.db2.gz	WGCHGQHRXDPADI-UHFFFAOYSA-N	1	0	367.490	1.961	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N[C@@H]1CCN(O)C1=O	ZINC000820157356	943918950	/nfs/dbraw/zinc/91/89/50/943918950.db2.gz	WHZNTVZKFMVBRN-GOEBONIOSA-N	1	0	361.442	1.660	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)s1	ZINC000820265822	943986256	/nfs/dbraw/zinc/98/62/56/943986256.db2.gz	OXAAYYRQCQCLRJ-QWHCGFSZSA-N	1	0	371.528	1.354	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)N(C)CC(F)(F)F)C1	ZINC001195581777	971052527	/nfs/dbraw/zinc/05/25/27/971052527.db2.gz	VLLSCZLXWPPDPX-RBSFLKMASA-N	1	0	365.440	1.777	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)Cc3ccccc3CC#N)CC2)C1=O	ZINC000820627961	944128584	/nfs/dbraw/zinc/12/85/84/944128584.db2.gz	VJLPGDCREAHZKO-SFHVURJKSA-N	1	0	354.454	1.106	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1cnc2c(c1)c(C(F)(F)F)nn2C	ZINC000820688099	944155985	/nfs/dbraw/zinc/15/59/85/944155985.db2.gz	JEAIXGMXBVMPNG-UHFFFAOYSA-N	1	0	353.348	1.672	20	30		FDEDRO
CON=C(C(=O)N(CC[NH+](C)C)Cc1cccs1)c1csc(N)n1	ZINC000820701160	944164839	/nfs/dbraw/zinc/16/48/39/944164839.db2.gz	RVYFDIPJDJXRFH-UHFFFAOYSA-N	1	0	367.500	1.728	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cccc(-n3cncn3)n2)C1	ZINC001086839443	944240170	/nfs/dbraw/zinc/24/01/70/944240170.db2.gz	FJJKIGKCMDPBNC-UONOGXRCSA-N	1	0	360.849	1.903	20	30		FDEDRO
C=CCC1(C(=O)OCC(=O)NC2CC[NH+](C(C)C)CC2)CCOCC1	ZINC000821156318	944370303	/nfs/dbraw/zinc/37/03/03/944370303.db2.gz	AAUBDRQJTFGCDO-UHFFFAOYSA-N	1	0	352.475	1.892	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[N@@H+](C)CC2(C)C)s1	ZINC000821454538	944512047	/nfs/dbraw/zinc/51/20/47/944512047.db2.gz	WEIKYMAGNMCMPH-UHFFFAOYSA-N	1	0	371.528	1.308	20	30		FDEDRO
C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1cc(F)cc(C#N)c1	ZINC000867122590	971137477	/nfs/dbraw/zinc/13/74/77/971137477.db2.gz	XOMSPLOAGNGWHN-CYBMUJFWSA-N	1	0	354.451	1.002	20	30		FDEDRO
C#C[C@@H](NC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C1CCOCC1	ZINC000823158249	945540210	/nfs/dbraw/zinc/54/02/10/945540210.db2.gz	FQWQUGGEYQUMGR-VQTJNVASSA-N	1	0	371.481	1.481	20	30		FDEDRO
C#C[C@@H](NC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)C1CCOCC1	ZINC000823163268	945544830	/nfs/dbraw/zinc/54/48/30/945544830.db2.gz	HNRRCAXPRRYHKN-WOJBJXKFSA-N	1	0	371.481	1.133	20	30		FDEDRO
COCC(C)(C)[NH+]1CCN(Cc2nc3ccccc3c(=O)n2CC#N)CC1	ZINC000823457316	945753552	/nfs/dbraw/zinc/75/35/52/945753552.db2.gz	XMERRBIQJVJNCZ-UHFFFAOYSA-N	1	0	369.469	1.463	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1	ZINC000823650141	945889393	/nfs/dbraw/zinc/88/93/93/945889393.db2.gz	QWLNUVILIDWIPW-GASCZTMLSA-N	1	0	365.380	1.454	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](NC(=O)CCC[NH+]3CCCCC3)C2)n1	ZINC001090719145	945962582	/nfs/dbraw/zinc/96/25/82/945962582.db2.gz	XJRXVHAMSXNLNB-CRAIPNDOSA-N	1	0	370.501	1.864	20	30		FDEDRO
C#CCCCCC(=O)N[C@H](C)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573283119	946707299	/nfs/dbraw/zinc/70/72/99/946707299.db2.gz	FFVIDULPDRAXBF-OAHLLOKOSA-N	1	0	354.458	1.997	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@H](C)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573293018	946944269	/nfs/dbraw/zinc/94/42/69/946944269.db2.gz	JQPSVJYFZLWCKN-QMMMGPOBSA-N	1	0	368.239	1.059	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H](C)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001573293368	946955996	/nfs/dbraw/zinc/95/59/96/946955996.db2.gz	UFTZUKMTNJVWBY-SECBINFHSA-N	1	0	368.239	1.154	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C(C)(C)C1	ZINC001573560912	946957344	/nfs/dbraw/zinc/95/73/44/946957344.db2.gz	HZZWHLYTBSDYJF-NHYWBVRUSA-N	1	0	371.420	1.492	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C(C)(C)C1	ZINC001573561378	946961644	/nfs/dbraw/zinc/96/16/44/946961644.db2.gz	JYQAPVZNCROAIT-IUODEOHRSA-N	1	0	353.430	1.353	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2)n1	ZINC001090820470	946965412	/nfs/dbraw/zinc/96/54/12/946965412.db2.gz	BGFVBNFMWZKMAV-CZUORRHYSA-N	1	0	358.490	1.576	20	30		FDEDRO
CC(C)[C@@H](CCN(C)C(=O)[C@@H](C)C#N)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573561743	946966504	/nfs/dbraw/zinc/96/65/04/946966504.db2.gz	MYTKGVKJEMJQJY-WMLDXEAASA-N	1	0	369.473	1.989	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1	ZINC000825081008	946970084	/nfs/dbraw/zinc/97/00/84/946970084.db2.gz	ZMKJGPRQIGREDN-OAHLLOKOSA-N	1	0	358.442	1.462	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)CC(C)(C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573562584	946977726	/nfs/dbraw/zinc/97/77/26/946977726.db2.gz	UVEVQBYTMPLOBR-ZDUSSCGKSA-N	1	0	355.446	1.601	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573294377	946985688	/nfs/dbraw/zinc/98/56/88/946985688.db2.gz	AHZFDDXMUZTBDH-BXUZGUMPSA-N	1	0	363.853	1.920	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC(C)([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1	ZINC001573565365	947007412	/nfs/dbraw/zinc/00/74/12/947007412.db2.gz	QMENBELCXDLIMC-ZDUSSCGKSA-N	1	0	353.430	1.497	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573565881	947019836	/nfs/dbraw/zinc/01/98/36/947019836.db2.gz	XGWCPYSOYYXGJQ-DZGCQCFKSA-N	1	0	353.430	1.307	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001573295602	947023949	/nfs/dbraw/zinc/02/39/49/947023949.db2.gz	RXCUSUYWUCNETA-RISCZKNCSA-N	1	0	363.853	1.920	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573566702	947029317	/nfs/dbraw/zinc/02/93/17/947029317.db2.gz	FUXABZBSOXLYMU-SWLSCSKDSA-N	1	0	371.420	1.588	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@]2(C1)CCCN(c1cc[nH+]cc1-c1nn[nH]n1)C2	ZINC001573567926	947059659	/nfs/dbraw/zinc/05/96/59/947059659.db2.gz	UYEQJUNSJICWPA-SCLBCKFNSA-N	1	0	366.429	1.240	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001573297750	947067470	/nfs/dbraw/zinc/06/74/70/947067470.db2.gz	KZYOUDZZDKIJJD-LLVKDONJSA-N	1	0	351.842	1.681	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCCC[C@H]1CN(C)c1cc[nH+]cc1-c1nn[nH]n1	ZINC001573568187	947068195	/nfs/dbraw/zinc/06/81/95/947068195.db2.gz	YZCXEGSBQZWPEE-STQMWFEESA-N	1	0	354.418	1.239	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573568141	947068366	/nfs/dbraw/zinc/06/83/66/947068366.db2.gz	YHHSUXYDFWATAR-KBRIMQKVSA-N	1	0	365.441	1.592	20	30		FDEDRO
CC[NH+](CC)CCOC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21	ZINC000825256088	947092721	/nfs/dbraw/zinc/09/27/21/947092721.db2.gz	XOJAPNPXGLMZSE-UHFFFAOYSA-N	1	0	367.471	1.390	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CC1	ZINC001573571970	947106133	/nfs/dbraw/zinc/10/61/33/947106133.db2.gz	BZSODUDNUVMIHT-RYUDHWBXSA-N	1	0	359.459	1.559	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1cccc(-c3nn[nH]n3)c1)CC2	ZINC001573571977	947106672	/nfs/dbraw/zinc/10/66/72/947106672.db2.gz	CCIMGOIQHZQNFQ-AZOIQLNYSA-N	1	0	365.441	1.640	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H](NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(C)(C)C	ZINC001573300328	947109123	/nfs/dbraw/zinc/10/91/23/947109123.db2.gz	XSXSHEDRYQFHLX-GFCCVEGCSA-N	1	0	351.842	1.681	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)CC2	ZINC001573572057	947109545	/nfs/dbraw/zinc/10/95/45/947109545.db2.gz	DKILRJNERJCRGF-VVFCZOMOSA-N	1	0	365.441	1.640	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC1(C)CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1	ZINC001573572449	947112691	/nfs/dbraw/zinc/11/26/91/947112691.db2.gz	HXYLSFZJUDVWCS-LBPRGKRZSA-N	1	0	371.420	1.636	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573300480	947113210	/nfs/dbraw/zinc/11/32/10/947113210.db2.gz	YBGDCFITHIXDBN-WCQYABFASA-N	1	0	363.853	1.826	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1	ZINC001573572486	947115800	/nfs/dbraw/zinc/11/58/00/947115800.db2.gz	IULYBXVIDFARAA-GXTWGEPZSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H]1CC12CC[NH+](Cc1ccccc1-c1nn[nH]n1)CC2	ZINC001573573523	947123885	/nfs/dbraw/zinc/12/38/85/947123885.db2.gz	OGFQJMLKYXMENZ-CJNGLKHVSA-N	1	0	365.441	1.497	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1CC12CC[NH+](Cc1ccccc1-c1nn[nH]n1)CC2	ZINC001573573527	947124191	/nfs/dbraw/zinc/12/41/91/947124191.db2.gz	OGFQJMLKYXMENZ-XJKSGUPXSA-N	1	0	365.441	1.497	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C(C)(C)C	ZINC001573574916	947135028	/nfs/dbraw/zinc/13/50/28/947135028.db2.gz	UUJVZYSRIBHXHL-XHDPSFHLSA-N	1	0	373.436	1.786	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@H]1CCCCN1Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573577041	947159688	/nfs/dbraw/zinc/15/96/88/947159688.db2.gz	LLGKRWIPXNMPME-IUODEOHRSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCCC1	ZINC001573577123	947161951	/nfs/dbraw/zinc/16/19/51/947161951.db2.gz	MLWALQAPMQATJB-ZDUSSCGKSA-N	1	0	353.430	1.545	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1C	ZINC001573583185	947200200	/nfs/dbraw/zinc/20/02/00/947200200.db2.gz	KRDNPSMBTZUJQZ-RBSFLKMASA-N	1	0	367.457	1.601	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1	ZINC001573583592	947206487	/nfs/dbraw/zinc/20/64/87/947206487.db2.gz	NDNDHISNDVLNEI-CYBMUJFWSA-N	1	0	353.430	1.355	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573583786	947207421	/nfs/dbraw/zinc/20/74/21/947207421.db2.gz	OVLSEFFBKWCCAV-HIFRSBDPSA-N	1	0	353.430	1.355	20	30		FDEDRO
CC(C)[C@@H](CCNC(=O)[C@H](C)C#N)[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001573584136	947212543	/nfs/dbraw/zinc/21/25/43/947212543.db2.gz	QPIFKMJQYNVIKV-CZUORRHYSA-N	1	0	355.446	1.647	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573584167	947212633	/nfs/dbraw/zinc/21/26/33/947212633.db2.gz	QUHNZTNYKMWIEF-OCCSQVGLSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC001573585210	947248856	/nfs/dbraw/zinc/24/88/56/947248856.db2.gz	DAAWIZUVRRIFCX-RCBQFDQVSA-N	1	0	353.430	1.543	20	30		FDEDRO
C=CCN1CCN(C)C2(CC[NH+](Cc3ccc4[nH]cnc4c3)CC2)C1=O	ZINC001137045271	947288070	/nfs/dbraw/zinc/28/80/70/947288070.db2.gz	ADMFPKCRAVWVHI-UHFFFAOYSA-N	1	0	353.470	1.858	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N(C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1	ZINC001573317139	947291029	/nfs/dbraw/zinc/29/10/29/947291029.db2.gz	LOWOOGCKCVQBEK-DYVFJYSZSA-N	1	0	369.473	1.935	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573587220	947304366	/nfs/dbraw/zinc/30/43/66/947304366.db2.gz	YANGRUZDRRQVGO-JTNHKYCSSA-N	1	0	357.393	1.150	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2nnn(C)c2C)C[C@H]1c1ccc(OC)cc1	ZINC001090866479	947403433	/nfs/dbraw/zinc/40/34/33/947403433.db2.gz	DRMFINGKITXATH-ZWKOTPCHSA-N	1	0	369.469	1.906	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(CC(=O)N(C)[C@@H](C)CC(C)C)C[C@H]2O)C1	ZINC001196019866	971385695	/nfs/dbraw/zinc/38/56/95/971385695.db2.gz	IUQXCFWNCUAZDW-GVDBMIGSSA-N	1	0	365.518	1.397	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@H]1c1ccc(OC)cc1	ZINC001090875033	947486870	/nfs/dbraw/zinc/48/68/70/947486870.db2.gz	ZRLXCLYKTWLFCA-FUHWJXTLSA-N	1	0	368.437	1.173	20	30		FDEDRO
C=CCCOCC(=O)N[C@H]1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573336835	947512141	/nfs/dbraw/zinc/51/21/41/947512141.db2.gz	RUCZMTXRUASMCA-KGLIPLIRSA-N	1	0	371.445	1.116	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC(=O)NC2)C[C@H]1c1ccc(OC)cc1	ZINC001090874212	947523741	/nfs/dbraw/zinc/52/37/41/947523741.db2.gz	GEYMCJXUANPNGJ-AYOQOUSVSA-N	1	0	371.481	1.682	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)[C@@H](C)C1	ZINC001573343967	947566983	/nfs/dbraw/zinc/56/69/83/947566983.db2.gz	VFRNLHFEIHFMKG-WMLDXEAASA-N	1	0	370.457	1.396	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573348332	947583243	/nfs/dbraw/zinc/58/32/43/947583243.db2.gz	PQOXCVZKWVJDLL-QGZVFWFLSA-N	1	0	370.457	1.540	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1c1ccc(OC)cc1	ZINC001090880161	947586921	/nfs/dbraw/zinc/58/69/21/947586921.db2.gz	YZQGWYJDKOMFDP-DLBZAZTESA-N	1	0	370.453	1.908	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)[nH]c2=O)C[C@H]1c1ccc(OC)cc1	ZINC001090881940	947610989	/nfs/dbraw/zinc/61/09/89/947610989.db2.gz	VNJNPESBVRDSBA-RBUKOAKNSA-N	1	0	365.433	1.935	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](C[C@H](O)CCc3ccccc3)C[C@H]2O)C1	ZINC001196029731	971411316	/nfs/dbraw/zinc/41/13/16/971411316.db2.gz	INIJRZMEQCNEQS-GUDVDZBRSA-N	1	0	358.482	1.498	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2c(C)n[nH]c2C)C[C@H]1c1ccc(OC)cc1	ZINC001090885515	947662640	/nfs/dbraw/zinc/66/26/40/947662640.db2.gz	SWHYPUPWUDDWJZ-VQTJNVASSA-N	1	0	366.465	1.795	20	30		FDEDRO
CC#CCCCC(=O)NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C	ZINC001573358725	947670533	/nfs/dbraw/zinc/67/05/33/947670533.db2.gz	PANMURDQSHJDRI-HUUCEWRRSA-N	1	0	367.457	1.644	20	30		FDEDRO
CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1	ZINC001573358753	947670715	/nfs/dbraw/zinc/67/07/15/947670715.db2.gz	PTKSPLIZBGYHMN-GOSISDBHSA-N	1	0	353.430	1.146	20	30		FDEDRO
CO[C@H](CC(C)C)C(=O)N[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@H]1O	ZINC001196036868	971416263	/nfs/dbraw/zinc/41/62/63/971416263.db2.gz	FPUHBNYINIHZQP-KZNAEPCWSA-N	1	0	363.433	1.420	20	30		FDEDRO
CC#CCCCC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573359158	947678492	/nfs/dbraw/zinc/67/84/92/947678492.db2.gz	WFDVVEVLFCSKON-KRWDZBQOSA-N	1	0	352.442	1.751	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cnn(C)c2)C[C@H]1c1ccc(OC)cc1	ZINC001090888562	947712262	/nfs/dbraw/zinc/71/22/62/947712262.db2.gz	PVSMNERFASFLEN-RYGJVYDSSA-N	1	0	366.465	1.750	20	30		FDEDRO
CO[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)CCC[NH+]1CCCC1	ZINC001090892470	947747927	/nfs/dbraw/zinc/74/79/27/947747927.db2.gz	PRJBTKGJMGYLNJ-SJLPKXTDSA-N	1	0	357.458	1.149	20	30		FDEDRO
CO[C@@H]1CN(c2nc(C)ccc2C#N)C[C@H]1NC(=O)CC[NH+]1CCCCC1	ZINC001090892542	947748607	/nfs/dbraw/zinc/74/86/07/947748607.db2.gz	UAVJWTKSPITUMI-QZTJIDSGSA-N	1	0	371.485	1.458	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@H]1OC	ZINC001090911884	947915990	/nfs/dbraw/zinc/91/59/90/947915990.db2.gz	FDHFCRVGYDFHFC-HUUCEWRRSA-N	1	0	365.865	1.268	20	30		FDEDRO
CC[C@H](C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1OC)[NH+](CC)CC	ZINC001090945277	948042310	/nfs/dbraw/zinc/04/23/10/948042310.db2.gz	MWAPZVPPHBVLAH-JFIYKMOQSA-N	1	0	359.474	1.393	20	30		FDEDRO
CO[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C	ZINC001090945381	948043225	/nfs/dbraw/zinc/04/32/25/948043225.db2.gz	OQCZSSFRXFDQKB-HZPDHXFCSA-N	1	0	359.474	1.251	20	30		FDEDRO
N#Cc1cncc(C[N@H+]2C[C@@H]3COC[C@H](C(=O)N4CCC(F)CC4)[C@@H]3C2)c1	ZINC001144075340	948189208	/nfs/dbraw/zinc/18/92/08/948189208.db2.gz	NVECGOHGNZXFTA-QRQLOZEOSA-N	1	0	372.444	1.608	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(N3C(=O)[C@@H]4COCCN4C3=O)CC2)c1	ZINC000844741154	948351774	/nfs/dbraw/zinc/35/17/74/948351774.db2.gz	PPFMREGMLJKDQY-KRWDZBQOSA-N	1	0	354.410	1.186	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H](Nc2nc(C)cc(C#N)n2)C1	ZINC001091008352	948402021	/nfs/dbraw/zinc/40/20/21/948402021.db2.gz	YZCMDXNISMOAOR-DAXOMENPSA-N	1	0	362.453	1.595	20	30		FDEDRO
C[C@@H](COCC(=O)N1C[C@@H](C)[C@H](Nc2ccc(C#N)cn2)C1)[NH+]1CCCC1	ZINC001091024549	948518136	/nfs/dbraw/zinc/51/81/36/948518136.db2.gz	QOOUTTHHPZFMHB-SOLBZPMBSA-N	1	0	371.485	1.713	20	30		FDEDRO
C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1	ZINC001196116430	971488471	/nfs/dbraw/zinc/48/84/71/971488471.db2.gz	ZGTJDAVUVABTSS-HZSPNIEDSA-N	1	0	362.312	1.177	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NCC2CC([NH2+]Cc3ccccc3C#N)C2)C1	ZINC001091032697	948550449	/nfs/dbraw/zinc/55/04/49/948550449.db2.gz	BKLYTVAQAQIFDP-YHDCKOJYSA-N	1	0	354.454	1.457	20	30		FDEDRO
C[N@H+](CC(=O)N1CCO[C@@H]2CN(c3ncccc3C#N)C[C@@H]21)CC(C)(C)C	ZINC001091060959	948839288	/nfs/dbraw/zinc/83/92/88/948839288.db2.gz	IECQQDYHONIEPR-DLBZAZTESA-N	1	0	371.485	1.347	20	30		FDEDRO
C[C@H](NC(=O)C#CC1CC1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001575248741	949077891	/nfs/dbraw/zinc/07/78/91/949077891.db2.gz	VBNXBMXPFBZQET-ZDUSSCGKSA-N	1	0	350.426	1.217	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NCC2CC([NH2+]Cc3ccccc3C#N)C2)O1	ZINC001091097525	949315374	/nfs/dbraw/zinc/31/53/74/949315374.db2.gz	QQGYFHIMQHKYRT-RMZQHLLMSA-N	1	0	356.470	1.262	20	30		FDEDRO
CCON(C)C(=O)CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000845568915	949531790	/nfs/dbraw/zinc/53/17/90/949531790.db2.gz	GEWSUSOVZKYAIQ-UHFFFAOYSA-N	1	0	361.446	1.041	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3C[C@@H]4C[C@]4(CO)C3)CC2)c1	ZINC000845740952	949873769	/nfs/dbraw/zinc/87/37/69/949873769.db2.gz	BGLXZSQWXPLLDJ-FXAWDEMLSA-N	1	0	354.454	1.546	20	30		FDEDRO
C#Cc1ccc(C[N@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)cc1	ZINC001144572451	949954637	/nfs/dbraw/zinc/95/46/37/949954637.db2.gz	ZIQHGOKMMRCPKB-IRLDBZIGSA-N	1	0	368.477	1.755	20	30		FDEDRO
CC(C)C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H](C)C#N	ZINC001574151588	950086622	/nfs/dbraw/zinc/08/66/22/950086622.db2.gz	VWJKNKDWPCDBHC-SWLSCSKDSA-N	1	0	373.436	1.786	20	30		FDEDRO
C[C@H](CNC(=O)c1c[nH]c(C#N)c1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1	ZINC001574982947	950193056	/nfs/dbraw/zinc/19/30/56/950193056.db2.gz	IEHBXJGNYIGOEG-GFCCVEGCSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@H+](C)Cc1cccc(C#N)c1	ZINC001574990982	950388282	/nfs/dbraw/zinc/38/82/82/950388282.db2.gz	GYYABJOZDANXDU-LBPRGKRZSA-N	1	0	364.413	1.317	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(F)cccc2NC(N)=O)C1	ZINC001196446006	971674726	/nfs/dbraw/zinc/67/47/26/971674726.db2.gz	NRNQCVYBITVIQW-ZIAGYGMSSA-N	1	0	350.394	1.057	20	30		FDEDRO
C#CCC[NH+]1CCC(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)CC1	ZINC000857251968	971676488	/nfs/dbraw/zinc/67/64/88/971676488.db2.gz	IOJHYMQLPAGJBF-UHFFFAOYSA-N	1	0	365.455	1.978	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]CC(=O)Nc2ccc(F)c(F)c2)cc1	ZINC000857280049	971691871	/nfs/dbraw/zinc/69/18/71/971691871.db2.gz	GXUMBPFITKNXNV-CQSZACIVSA-N	1	0	361.348	1.804	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)NCc1ccccc1C[NH2+]C)c1ccncc1	ZINC000846334421	950949478	/nfs/dbraw/zinc/94/94/78/950949478.db2.gz	ZOHHODLETXSJAC-SFHVURJKSA-N	1	0	352.438	1.851	20	30		FDEDRO
C[NH2+]Cc1ccccc1CNC(=O)C(=O)NCc1ccc(OC)c(C#N)c1	ZINC000846338083	950953902	/nfs/dbraw/zinc/95/39/02/950953902.db2.gz	PGDOHTUNMQJIIZ-UHFFFAOYSA-N	1	0	366.421	1.219	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1	ZINC001570995507	950990215	/nfs/dbraw/zinc/99/02/15/950990215.db2.gz	ITYRYLBNVMLXPF-NEPJUHHUSA-N	1	0	359.459	1.559	20	30		FDEDRO
C[C@H](CNC(=O)c1ccc(C#N)[nH]1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F	ZINC001575017341	950990212	/nfs/dbraw/zinc/99/02/12/950990212.db2.gz	DLMYLHCIEMBZMK-SNVBAGLBSA-N	1	0	368.376	1.114	20	30		FDEDRO
C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F	ZINC001575020177	951055553	/nfs/dbraw/zinc/05/55/53/951055553.db2.gz	ZMXNLTKCLRHHEY-JTQLQIEISA-N	1	0	368.376	1.114	20	30		FDEDRO
C[N@H+](CC(=O)N1CC[C@H]2CCN(c3cnc(C#N)cn3)[C@H]2C1)CC(C)(C)C	ZINC001091230257	951120699	/nfs/dbraw/zinc/12/06/99/951120699.db2.gz	KSKGDOPBZVAHRY-RDJZCZTQSA-N	1	0	370.501	1.753	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21	ZINC000846444347	951123002	/nfs/dbraw/zinc/12/30/02/951123002.db2.gz	UQSZLKCLMZYSTL-PCCBWWKXSA-N	1	0	367.493	1.586	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC([NH2+]Cc2cn(C(C)(C)C)nn2)C1	ZINC001091243669	951143574	/nfs/dbraw/zinc/14/35/74/951143574.db2.gz	TUIBBCKRYKMLJT-MMADZMRASA-N	1	0	361.490	1.609	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C(C)(C)C)C2	ZINC001110720861	971727518	/nfs/dbraw/zinc/72/75/18/971727518.db2.gz	SCDNRSODGAXJDD-YJNKXOJESA-N	1	0	364.490	1.402	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(C#N)nc1	ZINC001091259683	951235563	/nfs/dbraw/zinc/23/55/63/951235563.db2.gz	WLSUUFOBNCUVSK-KFKAGJAMSA-N	1	0	371.485	1.761	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CCCC[C@H]1Nc1cnc(C#N)cn1	ZINC001091281062	951303680	/nfs/dbraw/zinc/30/36/80/951303680.db2.gz	YLRYMTAYISCQHS-BZUAXINKSA-N	1	0	362.453	1.867	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(C#N)n1	ZINC001091299938	951351319	/nfs/dbraw/zinc/35/13/19/951351319.db2.gz	PCEOUJMYQIAIDB-ARFHVFGLSA-N	1	0	356.474	1.484	20	30		FDEDRO
CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)NCCC[NH+]1CCCCC1	ZINC000846724988	951491866	/nfs/dbraw/zinc/49/18/66/951491866.db2.gz	WTPJDILNNVMFPW-GOSISDBHSA-N	1	0	372.469	1.042	20	30		FDEDRO
CC(C)(C)C(=O)Nc1ccc(C[NH3+])nc1NC(=N)c1ccc(C(N)=O)cc1	ZINC001171252680	951559493	/nfs/dbraw/zinc/55/94/93/951559493.db2.gz	NJFYEMLWSJAJBH-UHFFFAOYSA-N	1	0	368.441	1.661	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)c2)C1	ZINC001091406567	951605045	/nfs/dbraw/zinc/60/50/45/951605045.db2.gz	SQVMEXSYVGGZSP-OWYHZJEWSA-N	1	0	357.454	1.904	20	30		FDEDRO
C[C@@H](CNC(=O)C#CC(C)(C)C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1	ZINC001575081182	951720926	/nfs/dbraw/zinc/72/09/26/951720926.db2.gz	PGMJRRGTODNNNS-CYBMUJFWSA-N	1	0	372.448	1.897	20	30		FDEDRO
C#C[C@@H]1CCC[N@@H+](CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)C1	ZINC000847021714	951775176	/nfs/dbraw/zinc/77/51/76/951775176.db2.gz	BBMJBNOTHZJCKD-GOSISDBHSA-N	1	0	359.514	1.973	20	30		FDEDRO
C#C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)C1	ZINC000847022251	951775775	/nfs/dbraw/zinc/77/57/75/951775775.db2.gz	SUHALVKICSLCOP-OALUTQOASA-N	1	0	369.509	1.869	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)CC1	ZINC001571050616	951798063	/nfs/dbraw/zinc/79/80/63/951798063.db2.gz	ROCMZKFDPNKWMN-HNNXBMFYSA-N	1	0	368.441	1.765	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ccc(C)nc4)C[C@]3(C)C2)C1=O	ZINC001091487377	951877525	/nfs/dbraw/zinc/87/75/25/951877525.db2.gz	OWQZNBOFVSRDJJ-LQWHRVPQSA-N	1	0	368.481	1.571	20	30		FDEDRO
C[C@]12CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]1C[N@H+](CCCN1CCCC1=O)C2	ZINC001091576782	952118801	/nfs/dbraw/zinc/11/88/01/952118801.db2.gz	SRIHSOLNIKRNCF-UZLBHIALSA-N	1	0	369.469	1.293	20	30		FDEDRO
Cc1cc(C#N)nc(N[C@@H]2CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C2)n1	ZINC001091595224	952191816	/nfs/dbraw/zinc/19/18/16/952191816.db2.gz	DMNNFFWZCDQPEH-ZMSDIMECSA-N	1	0	358.490	1.940	20	30		FDEDRO
Cn1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@]3(C)C2)cc1=O	ZINC001091606610	952252335	/nfs/dbraw/zinc/25/23/35/952252335.db2.gz	LELVBBNPYQRLQG-QRWLVFNGSA-N	1	0	365.437	1.179	20	30		FDEDRO
COc1cccc(C[N@@H+]2C[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@]3(C)C2)n1	ZINC001091607713	952258487	/nfs/dbraw/zinc/25/84/87/952258487.db2.gz	CDCJBCBWACPVJA-QRWLVFNGSA-N	1	0	365.437	1.884	20	30		FDEDRO
CN1CCOC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@]2(C)C1	ZINC001091612545	952295975	/nfs/dbraw/zinc/29/59/75/952295975.db2.gz	XBZOTMRNGVQEBK-DYXWJJEUSA-N	1	0	368.481	1.169	20	30		FDEDRO
C[C@]12CN(C(=O)Cc3cncnc3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001091633918	952409978	/nfs/dbraw/zinc/40/99/78/952409978.db2.gz	PFFWCIIRMVNPMX-CTNGQTDRSA-N	1	0	361.449	1.871	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@@]3(C)C2)o1	ZINC001091645379	952473408	/nfs/dbraw/zinc/47/34/08/952473408.db2.gz	GAXSCCQWYUGUBT-XLIONFOSSA-N	1	0	365.437	1.773	20	30		FDEDRO
CO[C@H](C)c1noc(CN2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]3(C)C2)n1	ZINC001091659219	952518685	/nfs/dbraw/zinc/51/86/85/952518685.db2.gz	HXTFIZYISDNFGM-MUKKUYKPSA-N	1	0	358.442	1.471	20	30		FDEDRO
C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1C[N@H+](CC(=O)NC1CCCCC1)C2	ZINC001091660028	952518734	/nfs/dbraw/zinc/51/87/34/952518734.db2.gz	AACFYUAMNBEEHC-UTKZUKDTSA-N	1	0	357.498	1.629	20	30		FDEDRO
C=C[C@H]1C[C@@]1(NC(=O)c1ccc(CC[NH+]2CCCC2)nc1)C(=O)OCC	ZINC001147976558	952581712	/nfs/dbraw/zinc/58/17/12/952581712.db2.gz	XKUSYCUBZIMVSY-JXFKEZNVSA-N	1	0	357.454	1.958	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN(C(=O)C4CC4)C3)C[C@]2(C)C1	ZINC001091695461	952652123	/nfs/dbraw/zinc/65/21/23/952652123.db2.gz	NCEYOFZJJJWABJ-UEXGIBASSA-N	1	0	357.498	1.439	20	30		FDEDRO
C#CCOc1ccccc1C[NH2+]C1CCN(CCN2CCOCC2)CC1	ZINC000772988537	952662893	/nfs/dbraw/zinc/66/28/93/952662893.db2.gz	RBABMKJCMOWXDT-UHFFFAOYSA-N	1	0	357.498	1.585	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)Cn3nc(C)cc3C(F)F)C[C@]2(C)C1	ZINC001091700309	952663491	/nfs/dbraw/zinc/66/34/91/952663491.db2.gz	KTWMCIKCNBNMTI-KDOFPFPSSA-N	1	0	350.413	1.933	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+]([C@H](C)C(=O)NCCCC)C2	ZINC001148310769	952679694	/nfs/dbraw/zinc/67/96/94/952679694.db2.gz	NWQSQNIPHKQYBO-ZACQAIPSSA-N	1	0	363.502	1.417	20	30		FDEDRO
CN1C[C@@H](C(=O)N2C[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@@]3(C)C2)CC1=O	ZINC001091714833	952709795	/nfs/dbraw/zinc/70/97/95/952709795.db2.gz	KERVVUINPXABAQ-JQVVWYNYSA-N	1	0	365.477	1.297	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@H]2CC[C@H](NC(=O)C[NH+](C)C)CC2)cc1	ZINC001148469935	952730223	/nfs/dbraw/zinc/73/02/23/952730223.db2.gz	BFVSGUWCHVKHMH-QAQDUYKDSA-N	1	0	359.470	1.970	20	30		FDEDRO
CC(C)[NH+]1CCN(CCNS(=O)(=O)c2cc(Cl)ccc2C#N)CC1	ZINC001196702079	971868866	/nfs/dbraw/zinc/86/88/66/971868866.db2.gz	QPKISKSBQRJGGU-UHFFFAOYSA-N	1	0	370.906	1.516	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnnn3CC)C2)nc1	ZINC001086856074	952901918	/nfs/dbraw/zinc/90/19/18/952901918.db2.gz	HVBFMDBKMDWYSI-JKSUJKDBSA-N	1	0	352.442	1.363	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nccn2C)C1	ZINC001086856770	952903467	/nfs/dbraw/zinc/90/34/67/952903467.db2.gz	SLNYYYBUCYXFMJ-JKSUJKDBSA-N	1	0	367.453	1.515	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnns2)C1	ZINC001086856573	952903500	/nfs/dbraw/zinc/90/35/00/952903500.db2.gz	HYJVEBGSWBZOFD-UONOGXRCSA-N	1	0	371.466	1.633	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H](C)c3nncn3C)C2)nc1	ZINC001086857223	952903817	/nfs/dbraw/zinc/90/38/17/952903817.db2.gz	REQRFBMNRHMDPK-VNQPRFMTSA-N	1	0	352.442	1.441	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NCc3nc(C)no3)C2)CC1	ZINC001086882120	952913406	/nfs/dbraw/zinc/91/34/06/952913406.db2.gz	ATMYBGGFJLNQFC-DOTOQJQBSA-N	1	0	359.474	1.098	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(C)=O)C[C@H]1c1cnn(C)c1	ZINC001086958931	952955401	/nfs/dbraw/zinc/95/54/01/952955401.db2.gz	IXJLYIBYDUHERQ-ZWKOTPCHSA-N	1	0	353.426	1.404	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cnn(C)c1	ZINC001086970892	952972797	/nfs/dbraw/zinc/97/27/97/952972797.db2.gz	LTGXXIQPQVHPEO-XHSDSOJGSA-N	1	0	351.882	1.151	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2[NH2+]CC2CC(F)(F)C2)cn1	ZINC001086978488	952990373	/nfs/dbraw/zinc/99/03/73/952990373.db2.gz	ZEENFDCWLCHAFT-DLBZAZTESA-N	1	0	362.424	1.763	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2[NH2+]Cc2cncs2)cn1	ZINC001086978730	952990820	/nfs/dbraw/zinc/99/08/20/952990820.db2.gz	NBGGJRXXAUCOAX-DLBZAZTESA-N	1	0	355.467	1.374	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nccc3cccnc32)C[C@H]1c1cnn(C)c1	ZINC001086982826	952996050	/nfs/dbraw/zinc/99/60/50/952996050.db2.gz	GZGPAUJDXAUEEW-DLBZAZTESA-N	1	0	360.421	1.194	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc3ncn(C)c32)C[C@H]1c1cnn(C)c1	ZINC001086984800	952999561	/nfs/dbraw/zinc/99/95/61/952999561.db2.gz	FGDBFSBDQAPCFK-FUHWJXTLSA-N	1	0	362.437	1.138	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C(=O)Nc2ccccc2)C[C@H]1c1cnn(C)c1	ZINC001086985836	953003573	/nfs/dbraw/zinc/00/35/73/953003573.db2.gz	HEEABIYQEXKCIP-ZWKOTPCHSA-N	1	0	367.453	1.519	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c(C)nn(C)c2Cl)C[C@H]1c1cnn(C)c1	ZINC001086989435	953014201	/nfs/dbraw/zinc/01/42/01/953014201.db2.gz	AKNYPIVXNMYRQA-UONOGXRCSA-N	1	0	362.865	1.499	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cncn2C)C1	ZINC001086990747	953018568	/nfs/dbraw/zinc/01/85/68/953018568.db2.gz	SOYOIJSKKZSXCJ-ZWKOTPCHSA-N	1	0	370.501	1.840	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C2(c3cc(C)no3)CC2)C[C@H]1c1cnn(C)c1	ZINC001086993075	953025597	/nfs/dbraw/zinc/02/55/97/953025597.db2.gz	FZKNGBSJSWESIG-JKSUJKDBSA-N	1	0	355.442	1.518	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(OC)cc2C)C[C@H]1c1cnn(C)c1	ZINC001086981005	953031380	/nfs/dbraw/zinc/03/13/80/953031380.db2.gz	JBNUVVFQQLJSCD-VQTJNVASSA-N	1	0	366.465	1.497	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)CCCC3)C[C@H]1c1cnn(C)c1	ZINC001086981271	953032012	/nfs/dbraw/zinc/03/20/12/953032012.db2.gz	ZJDKVKFBMUKQHW-JKSUJKDBSA-N	1	0	354.458	1.337	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(CC)nc2C2CC2)C[C@H]1c1cnn(C)c1	ZINC001086981102	953032036	/nfs/dbraw/zinc/03/20/36/953032036.db2.gz	OSEUNXKKPORXQJ-FUHWJXTLSA-N	1	0	366.469	1.345	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2csc(C3CC3)n2)C[C@H]1c1cnn(C)c1	ZINC001087000868	953053262	/nfs/dbraw/zinc/05/32/62/953053262.db2.gz	RWDMACWJOQOGBZ-DLBZAZTESA-N	1	0	369.494	1.514	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccc3nc[nH]c32)C[C@H]1c1cnn(C)c1	ZINC001087003256	953059375	/nfs/dbraw/zinc/05/93/75/953059375.db2.gz	MZDYJHKUBIVLPO-DOTOQJQBSA-N	1	0	350.426	1.680	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3c2C[C@H](C)CC3)C[C@H]1c1cnn(C)c1	ZINC001087004221	953061891	/nfs/dbraw/zinc/06/18/91/953061891.db2.gz	LWFUQWNRPFFKOK-RPVQJOFSSA-N	1	0	366.469	1.099	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]C(C)C)C1	ZINC001087005062	953063834	/nfs/dbraw/zinc/06/38/34/953063834.db2.gz	KCONTZYZIWDZDC-DLBZAZTESA-N	1	0	369.469	1.986	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C2CC3(C2)CCOCC3)C[C@H]1c1cnn(C)c1	ZINC001087005419	953064678	/nfs/dbraw/zinc/06/46/78/953064678.db2.gz	BGPVMPOVVVAXDC-ZWKOTPCHSA-N	1	0	358.486	1.697	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087017147	953073776	/nfs/dbraw/zinc/07/37/76/953073776.db2.gz	OTRGMEIVWGYJFN-WOJBJXKFSA-N	1	0	371.481	1.938	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)cc2)C[C@H]1c1cnn(C)c1	ZINC001087007733	953094035	/nfs/dbraw/zinc/09/40/35/953094035.db2.gz	SXRNUCWUQCRSAS-RBUKOAKNSA-N	1	0	353.470	1.870	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2)C[C@H]1c1cnn(C)c1	ZINC001087008280	953095565	/nfs/dbraw/zinc/09/55/65/953095565.db2.gz	XIPMRGYANZPAGI-AYOQOUSVSA-N	1	0	354.454	1.958	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc3c(c2)CCC3)C[C@H]1c1cnn(C)c1	ZINC001087008943	953096831	/nfs/dbraw/zinc/09/68/31/953096831.db2.gz	GISIPSFCLAFLBS-LEWJYISDSA-N	1	0	362.477	1.669	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C3CCCC3)no2)C[C@H]1c1cnn(C)c1	ZINC001087009715	953098973	/nfs/dbraw/zinc/09/89/73/953098973.db2.gz	UOBSPEVSQUQPOX-FUHWJXTLSA-N	1	0	367.453	1.897	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2csc3nccn23)C[C@H]1c1cnn(C)c1	ZINC001087009780	953099230	/nfs/dbraw/zinc/09/92/30/953099230.db2.gz	YECSFFCKOVSLPX-JKSUJKDBSA-N	1	0	370.482	1.442	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3cccc(F)c3O2)C[C@H]1c1cnn(C)c1	ZINC001087009925	953100023	/nfs/dbraw/zinc/10/00/23/953100023.db2.gz	FUMQRLHPDSGSGY-CGTJXYLNSA-N	1	0	368.412	1.080	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cncnc2C(C)C)C[C@H]1c1cnn(C)c1	ZINC001087009973	953100066	/nfs/dbraw/zinc/10/00/66/953100066.db2.gz	GOYWYXZAFAKHPV-DLBZAZTESA-N	1	0	354.458	1.717	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C)n(C(C)C)n2)C[C@H]1c1cnn(C)c1	ZINC001087012414	953107092	/nfs/dbraw/zinc/10/70/92/953107092.db2.gz	WOENTCUDSQQFDO-FUHWJXTLSA-N	1	0	356.474	1.890	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1ncc(Cl)n1C	ZINC001087035553	953144981	/nfs/dbraw/zinc/14/49/81/953144981.db2.gz	DYXOFJGPSFNFQQ-YNEHKIRRSA-N	1	0	353.854	1.186	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1ccc2c(c1)nnn2C	ZINC001087035439	953145072	/nfs/dbraw/zinc/14/50/72/953145072.db2.gz	AJMIHYBLQMXORM-JCKWVBRZSA-N	1	0	370.457	1.081	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1ccc2nonc2c1	ZINC001087035595	953145097	/nfs/dbraw/zinc/14/50/97/953145097.db2.gz	GUJNALRAUPVTCT-DXCKQFNASA-N	1	0	357.414	1.336	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1nnc(C(C)(C)C)[nH]1	ZINC001087035846	953146099	/nfs/dbraw/zinc/14/60/99/953146099.db2.gz	OMMCKIIBTHVHTM-MGPQQGTHSA-N	1	0	362.478	1.215	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1nc(C(C)C)ns1	ZINC001087035895	953146417	/nfs/dbraw/zinc/14/64/17/953146417.db2.gz	QLLLXZKJRHZXAG-MGPQQGTHSA-N	1	0	365.503	1.774	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1ncc(CC)o1	ZINC001087045656	953171472	/nfs/dbraw/zinc/17/14/72/953171472.db2.gz	OPHMMZBJDAUUFY-RHSMWYFYSA-N	1	0	371.441	1.704	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1csnc1OC	ZINC001087053064	953184832	/nfs/dbraw/zinc/18/48/32/953184832.db2.gz	XTMSBHSFZGGINE-GDBMZVCRSA-N	1	0	363.483	1.518	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1coc(C)n1	ZINC001087046296	953193611	/nfs/dbraw/zinc/19/36/11/953193611.db2.gz	XAEYJGIUUIEXIL-CXAGYDPISA-N	1	0	357.414	1.450	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1nc(C)oc1C	ZINC001087046854	953194673	/nfs/dbraw/zinc/19/46/73/953194673.db2.gz	DSNRJFGPWKKBDD-CRAIPNDOSA-N	1	0	371.441	1.758	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C2=CCOCC2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087047371	953196483	/nfs/dbraw/zinc/19/64/83/953196483.db2.gz	GHADSBONTMOSDG-WOJBJXKFSA-N	1	0	369.465	1.858	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H]2CCCN(C)C2=O)[C@H](OCC)C1	ZINC001087071485	953226013	/nfs/dbraw/zinc/22/60/13/953226013.db2.gz	SAYSIVZZLXZIGP-IXDOHACOSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+][C@H](C)c3nnnn3C)[C@H](OCC)C2)C1	ZINC001087082220	953240559	/nfs/dbraw/zinc/24/05/59/953240559.db2.gz	BKVGTUAAJWTILE-RBSFLKMASA-N	1	0	362.478	1.081	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cc(C)no2)[C@H](OCC)C1	ZINC001087085390	953246395	/nfs/dbraw/zinc/24/63/95/953246395.db2.gz	BJODOFLIPZXWPQ-NRSFXHEJSA-N	1	0	363.458	1.527	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cncs2)[C@H](OCC)C1	ZINC001087085487	953246741	/nfs/dbraw/zinc/24/67/41/953246741.db2.gz	HUTCLKUVPRAQGI-MXASKKJJSA-N	1	0	365.499	1.687	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ncccn2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001087092867	953258018	/nfs/dbraw/zinc/25/80/18/953258018.db2.gz	IOIBCFJGTPYMLP-CZUORRHYSA-N	1	0	371.466	1.677	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3cnn(C)n3)[C@H](OCC)C2)CC1	ZINC001087079175	953263782	/nfs/dbraw/zinc/26/37/82/953263782.db2.gz	BZFHWANIDMTGLU-SJLPKXTDSA-N	1	0	361.490	1.515	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](C[NH2+]Cc2cnn(CC)n2)[C@H](OCC)C1	ZINC001087079664	953264463	/nfs/dbraw/zinc/26/44/63/953264463.db2.gz	BFKSEYRBHIJLSB-SUMDDJOVSA-N	1	0	363.506	1.853	20	30		FDEDRO
C=C[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2cnon2)[C@H](OCC)C1)c1ccccc1	ZINC001087102415	953274789	/nfs/dbraw/zinc/27/47/89/953274789.db2.gz	BSFHFYFUEOQBFJ-NZSAHSFTSA-N	1	0	370.453	1.993	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ocnc3C)[C@H](OCC)C2)nc1	ZINC001087097462	953284771	/nfs/dbraw/zinc/28/47/71/953284771.db2.gz	QUKAMBSMFSZDJC-VQIMIIECSA-N	1	0	368.437	1.626	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nccn3C)[C@H](OCC)C2)cn1	ZINC001087097495	953284785	/nfs/dbraw/zinc/28/47/85/953284785.db2.gz	SMCDBAOEDVDZHH-SJLPKXTDSA-N	1	0	367.453	1.063	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cncs3)[C@H](OCC)C2)cn1	ZINC001087097598	953285085	/nfs/dbraw/zinc/28/50/85/953285085.db2.gz	ZFYKXLMOOIGKRW-CRAIPNDOSA-N	1	0	370.478	1.786	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)COCC[NH+](C)C)CCN1c1snc(C)c1C#N	ZINC001091793743	953317590	/nfs/dbraw/zinc/31/75/90/953317590.db2.gz	XJXLPSXFPYLBIH-LSDHHAIUSA-N	1	0	365.503	1.375	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@H](NC(=O)CC[N@H+](C)CC)[C@H]2CC)n1	ZINC001091800040	953327949	/nfs/dbraw/zinc/32/79/49/953327949.db2.gz	BFQQTVXOKPUFDU-JKSUJKDBSA-N	1	0	358.490	1.726	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@H]2CC)n1	ZINC001091807267	953338035	/nfs/dbraw/zinc/33/80/35/953338035.db2.gz	VPLJVWWAGPXFBT-FRQCXROJSA-N	1	0	370.501	1.724	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCN3c3nccs3)C[C@]2(C)C1	ZINC001091882910	953514687	/nfs/dbraw/zinc/51/46/87/953514687.db2.gz	OQMSTYQWKAVJLG-GJYPPUQNSA-N	1	0	358.511	1.916	20	30		FDEDRO
C[NH+](C)CCC(=O)N1C[C@@H]2CN(c3nc(C#N)c(Cl)s3)CC[C@@H]2C1	ZINC001091870535	953627051	/nfs/dbraw/zinc/62/70/51/953627051.db2.gz	UNNHRFMDYQNWMH-NEPJUHHUSA-N	1	0	367.906	1.905	20	30		FDEDRO
CN1C(=O)CC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@@]2(C)C1	ZINC001091919685	953710818	/nfs/dbraw/zinc/71/08/18/953710818.db2.gz	RAOXFASMQXXLQL-LQWHRVPQSA-N	1	0	366.465	1.459	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc(-n4cncn4)nc3)C[C@]2(C)C1	ZINC001091899122	953741003	/nfs/dbraw/zinc/74/10/03/953741003.db2.gz	IWRCKFCJMHLJCP-APWZRJJASA-N	1	0	352.442	1.632	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN(C(C)(C)C)C3=O)C[C@]2(C)C1	ZINC001091943246	953801088	/nfs/dbraw/zinc/80/10/88/953801088.db2.gz	YXBQFOCBEDOIBL-LZJOCLMNSA-N	1	0	359.514	1.827	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3C[N@@H+](Cc4nccnc4C)C[C@@]3(C)C2)c1	ZINC001091998295	953919248	/nfs/dbraw/zinc/91/92/48/953919248.db2.gz	ZLJOEUYBDPAPST-NQIIRXRSSA-N	1	0	361.449	1.755	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@@]2(C)C1	ZINC001091978660	953974093	/nfs/dbraw/zinc/97/40/93/953974093.db2.gz	ZWVJMIRUBJCTSC-UXPWSPDFSA-N	1	0	363.502	1.228	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CCN1c1cncc(C#N)n1	ZINC001092025594	954109571	/nfs/dbraw/zinc/10/95/71/954109571.db2.gz	VBMIQKRADLEOKX-PBHICJAKSA-N	1	0	365.441	1.353	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3C[N@H+](CCOC4CCC4)C[C@@]3(C)C2)nn1	ZINC001092079391	954225959	/nfs/dbraw/zinc/22/59/59/954225959.db2.gz	PEOMZEUSRKNXIF-BEFAXECRSA-N	1	0	359.474	1.427	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc(-n4ccnc4)nn3)C[C@]2(C)C1	ZINC001092096945	954284187	/nfs/dbraw/zinc/28/41/87/954284187.db2.gz	KQRXRQQPUUSHAO-BEFAXECRSA-N	1	0	350.426	1.080	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H]2CN(C(=O)c3cnn4cccc(OC)c34)C[C@]2(C)C1	ZINC001092103234	954319918	/nfs/dbraw/zinc/31/99/18/954319918.db2.gz	JZXVNLXCKPCSLL-QRWLVFNGSA-N	1	0	352.438	1.760	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)CCc3nc4cc[nH]cc-4n3)C[C@]2(C)C1	ZINC001092180191	954470201	/nfs/dbraw/zinc/47/02/01/954470201.db2.gz	RBLMDVISCQDAOU-QRWLVFNGSA-N	1	0	351.454	1.694	20	30		FDEDRO
C[C@]12CN(C(=O)Cc3nnc[nH]3)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001092182197	954475981	/nfs/dbraw/zinc/47/59/81/954475981.db2.gz	OZUNQWCFKHZSCA-APWZRJJASA-N	1	0	350.426	1.199	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3cc(Cn4cccn4)on3)C[C@]2(C)C1	ZINC001092183635	954479909	/nfs/dbraw/zinc/47/99/09/954479909.db2.gz	HHDPJZGYPJPSMY-BEFAXECRSA-N	1	0	355.442	1.889	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cc(Cn4cccn4)on3)C[C@]2(C)C1	ZINC001092184574	954481350	/nfs/dbraw/zinc/48/13/50/954481350.db2.gz	WIBDMUAHQMBYKG-BEFAXECRSA-N	1	0	353.426	1.337	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+]([C@H]4CCCN(C)C4=O)C[C@@]3(C)C2)cn1	ZINC001092211794	954619532	/nfs/dbraw/zinc/61/95/32/954619532.db2.gz	NJQQUBHEKKWSBH-MMOPVJDHSA-N	1	0	366.465	1.078	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cc(C)nc4cc(C)nn43)C[C@]2(C)C1	ZINC001092285968	954861879	/nfs/dbraw/zinc/86/18/79/954861879.db2.gz	CQLCRGRRHWIVDW-UZLBHIALSA-N	1	0	351.454	1.763	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cccc(CNC(C)=O)c3)C[C@]2(C)C1	ZINC001092286582	954865889	/nfs/dbraw/zinc/86/58/89/954865889.db2.gz	HQJYBTURFZPDKT-CTNGQTDRSA-N	1	0	353.466	1.740	20	30		FDEDRO
Cc1cc(N2C[C@@H]3CN(C(=O)C[N@@H+](C)C(C)C)C[C@]3(C)C2)c(C#N)cn1	ZINC001092292066	954891752	/nfs/dbraw/zinc/89/17/52/954891752.db2.gz	RWRCSGSMJQFZRS-XLIONFOSSA-N	1	0	355.486	1.887	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CNC(=O)C[NH+]1CCC(C)CC1	ZINC001092393500	954994849	/nfs/dbraw/zinc/99/48/49/954994849.db2.gz	BUPYJIUJTUTLAF-HZPDHXFCSA-N	1	0	356.474	1.269	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CNC(=O)CC[NH+]1CCCCC1	ZINC001092374573	955049846	/nfs/dbraw/zinc/04/98/46/955049846.db2.gz	JNOBPZVHGJTNQA-HZPDHXFCSA-N	1	0	356.474	1.413	20	30		FDEDRO
Cc1cc(N2C[C@@H](CNC(=O)C[N@@H+]3CCC[C@@H]3C)[C@H](C)C2)c(C#N)cn1	ZINC001092445278	955119125	/nfs/dbraw/zinc/11/91/25/955119125.db2.gz	QNMWXVCLOSTPSI-UWWQBHOKSA-N	1	0	355.486	1.935	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H](CNC(=O)C[N@@H+]3CC[C@@H](C)C3)[C@H](C)C2)n1	ZINC001092445502	955119752	/nfs/dbraw/zinc/11/97/52/955119752.db2.gz	VGBAWJFVMIMDHZ-BZUAXINKSA-N	1	0	370.501	1.441	20	30		FDEDRO
COc1ccc(C[NH2+]C2CCN(CCN3CCOCC3)CC2)cc1C#N	ZINC000773076869	955133963	/nfs/dbraw/zinc/13/39/63/955133963.db2.gz	PGDKURMJVUUOJN-UHFFFAOYSA-N	1	0	358.486	1.453	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1CN(c2ncccc2C#N)C[C@H]1C	ZINC001092411775	955139407	/nfs/dbraw/zinc/13/94/07/955139407.db2.gz	PCKWUYDTJUEYQZ-DJIMGWMZSA-N	1	0	361.465	1.822	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@@H](CNC(=O)[C@H](C3CC3)[NH+](C)C)[C@H](C)C2)n1	ZINC001092416359	955149590	/nfs/dbraw/zinc/14/95/90/955149590.db2.gz	WZTOGGHHLQPWJD-XWIAVFTESA-N	1	0	355.486	1.790	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C	ZINC001092460531	955183986	/nfs/dbraw/zinc/18/39/86/955183986.db2.gz	OSMYUKPENRDXEK-BZUAXINKSA-N	1	0	356.474	1.411	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3scnc3C)[C@H](C)C2)C1=O	ZINC001092478504	955227155	/nfs/dbraw/zinc/22/71/55/955227155.db2.gz	DURXCCRCWWGIHX-BPLDGKMQSA-N	1	0	362.499	1.536	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)NC2CCCCC2)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC001092551234	955402499	/nfs/dbraw/zinc/40/24/99/955402499.db2.gz	RHCFUBZCMRLHIM-HUUCEWRRSA-N	1	0	371.485	1.633	20	30		FDEDRO
CCn1cc(CC[N@H+]2C[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)cn1	ZINC001092553231	955414965	/nfs/dbraw/zinc/41/49/65/955414965.db2.gz	FRDNTIOTJNITSY-RHSMWYFYSA-N	1	0	354.458	1.643	20	30		FDEDRO
C[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC001092553524	955416262	/nfs/dbraw/zinc/41/62/62/955416262.db2.gz	IABRVQIYIGWJRR-TZMCWYRMSA-N	1	0	360.849	1.734	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)c1cnn(C)c1N	ZINC001092557689	955441027	/nfs/dbraw/zinc/44/10/27/955441027.db2.gz	DCTUCOIPYGKGIM-VXGBXAGGSA-N	1	0	358.471	1.433	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)c1cnn(C)c1N	ZINC001092558091	955442185	/nfs/dbraw/zinc/44/21/85/955442185.db2.gz	JAKXIZGQJDJKOR-GDBMZVCRSA-N	1	0	369.444	1.491	20	30		FDEDRO
COc1ncccc1C[N@H+]1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)[C@H](C)C1	ZINC001092532402	955497503	/nfs/dbraw/zinc/49/75/03/955497503.db2.gz	UCUNNNCIVJHYGA-CZUORRHYSA-N	1	0	353.426	1.788	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cc3n(n2)CCC3)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC001092532244	955497663	/nfs/dbraw/zinc/49/76/63/955497663.db2.gz	SHSGQTBMFHCEOB-UKRRQHHQSA-N	1	0	352.442	1.527	20	30		FDEDRO
CC(C)[C@H](C(=O)NCC[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C)[NH+](C)C	ZINC001092532858	955500004	/nfs/dbraw/zinc/50/00/04/955500004.db2.gz	AEDHRPKOMFTFNK-IIDMSEBBSA-N	1	0	358.490	1.513	20	30		FDEDRO
CC(C)[C@@H](C(=O)NCC[C@@H]1CN(c2nccnc2C#N)C[C@H]1C)[NH+](C)C	ZINC001092533331	955502820	/nfs/dbraw/zinc/50/28/20/955502820.db2.gz	LRTHMLMSUOCGQL-INMHGKMJSA-N	1	0	358.490	1.513	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3sccc3F)[C@H](C)C2)C1=O	ZINC001092589964	955567079	/nfs/dbraw/zinc/56/70/79/955567079.db2.gz	GYSMYEGRUYYNMT-NFAWXSAZSA-N	1	0	365.474	1.972	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)C3CCC3)C2)n1	ZINC001092595139	955588585	/nfs/dbraw/zinc/58/85/85/955588585.db2.gz	CLZDZPNHQRLUMX-GDBMZVCRSA-N	1	0	370.501	1.720	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CCNC(=O)CC[C@H]1CCC[N@@H+]1C	ZINC001092598455	955604590	/nfs/dbraw/zinc/60/45/90/955604590.db2.gz	DVDAJMANORNKGN-JFIYKMOQSA-N	1	0	370.501	1.801	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3c2OCCCO3)C1	ZINC001197162367	972127789	/nfs/dbraw/zinc/12/77/89/972127789.db2.gz	VNVYSGYUFPNVMJ-DJIMGWMZSA-N	1	0	360.454	1.978	20	30		FDEDRO
C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CCNc1ncccc1C#N	ZINC001092618594	955840166	/nfs/dbraw/zinc/84/01/66/955840166.db2.gz	DUPNQTQIDAJISS-NVXWUHKLSA-N	1	0	359.474	1.428	20	30		FDEDRO
C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CCNc1ccc(C#N)nc1	ZINC001092618951	955842000	/nfs/dbraw/zinc/84/20/00/955842000.db2.gz	WDVMZGISRAZOLV-HZPDHXFCSA-N	1	0	359.474	1.428	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@@H]1C[N@H+]([C@H]2CCN(CC)C2=O)C[C@H]1C	ZINC001092678155	955998185	/nfs/dbraw/zinc/99/81/85/955998185.db2.gz	XHADKQUCHYJTNU-NUJGCVRESA-N	1	0	358.486	1.593	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)c1cc2n(n1)CCO2	ZINC001092680456	956007600	/nfs/dbraw/zinc/00/76/00/956007600.db2.gz	DEBGMYXUASTEBP-RHSMWYFYSA-N	1	0	365.437	1.645	20	30		FDEDRO
CC[NH+](CC)CC(=O)NC[C@]12CCC[C@H]1N(c1nc(C)cc(C#N)n1)CC2	ZINC001092697579	956070367	/nfs/dbraw/zinc/07/03/67/956070367.db2.gz	DVOIWUSIJNQIBT-YLJYHZDGSA-N	1	0	370.501	1.864	20	30		FDEDRO
N#Cc1cnccc1N1CC[C@@]2(CNC(=O)C[NH+]3CCCC3)CCC[C@@H]12	ZINC001092698330	956074264	/nfs/dbraw/zinc/07/42/64/956074264.db2.gz	SBJBKKSQRFKMNA-UYAOXDASSA-N	1	0	353.470	1.914	20	30		FDEDRO
CCC[N@H+](C)CC(=O)NC[C@]12CCC[C@H]1N(c1ccnc(C#N)n1)CC2	ZINC001092700465	956089198	/nfs/dbraw/zinc/08/91/98/956089198.db2.gz	COKMIAQSXGCVFX-DNVCBOLYSA-N	1	0	356.474	1.555	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1C	ZINC001092703758	956110498	/nfs/dbraw/zinc/11/04/98/956110498.db2.gz	QSERZRYMCXMSBJ-IAQYHMDHSA-N	1	0	371.416	1.932	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1N(c1nccnc1C#N)CC2	ZINC001092709256	956136014	/nfs/dbraw/zinc/13/60/14/956136014.db2.gz	PUGRIKKAIFPHCU-OXQOHEQNSA-N	1	0	370.501	1.944	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)c1cnc[nH]c1=O	ZINC001092710787	956142016	/nfs/dbraw/zinc/14/20/16/956142016.db2.gz	AGTGMCGOZDKJSQ-VXGBXAGGSA-N	1	0	357.439	1.613	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@]12CCC[C@H]1N(c1cnc(C#N)cn1)CC2	ZINC001092713114	956151715	/nfs/dbraw/zinc/15/17/15/956151715.db2.gz	WHWIDFFUMFDXOG-WRWLIDTKSA-N	1	0	368.485	1.698	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C	ZINC001092689590	956196340	/nfs/dbraw/zinc/19/63/40/956196340.db2.gz	NIWBXCBZSMGSDI-UIFIKXQLSA-N	1	0	364.493	1.840	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@H]1OCCO[C@H]1C	ZINC001092691195	956205506	/nfs/dbraw/zinc/20/55/06/956205506.db2.gz	ASSUUNYNIQSGJA-OHQAAIJDSA-N	1	0	357.454	1.546	20	30		FDEDRO
C=C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)c1ccccc1	ZINC001110136982	956515427	/nfs/dbraw/zinc/51/54/27/956515427.db2.gz	WGCZJCVEPCRDDT-YRXWBPOGSA-N	1	0	368.481	1.703	20	30		FDEDRO
C=C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)c1ccccc1	ZINC001110136981	956515903	/nfs/dbraw/zinc/51/59/03/956515903.db2.gz	WGCZJCVEPCRDDT-XWSJACJDSA-N	1	0	368.481	1.703	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)c3cncc(CC)c3)[C@H](C)C2)C1=O	ZINC001092831462	956568846	/nfs/dbraw/zinc/56/88/46/956568846.db2.gz	REBBAUDXIWOXJL-ATZDWAIDSA-N	1	0	370.497	1.729	20	30		FDEDRO
N#Cc1ccc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCC[NH+]2CCCC2)C3)nn1	ZINC001092853242	956687217	/nfs/dbraw/zinc/68/72/17/956687217.db2.gz	GAEBMWVAUYUZGA-SQNIBIBYSA-N	1	0	368.485	1.840	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@@H]1CCNC(=O)CC1	ZINC001092855088	956696856	/nfs/dbraw/zinc/69/68/56/956696856.db2.gz	GFDGJMLHKUEKBN-JTDSTZFVSA-N	1	0	368.481	1.659	20	30		FDEDRO
CC[NH+](CC)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1)C(C)C	ZINC001092866320	956740883	/nfs/dbraw/zinc/74/08/83/956740883.db2.gz	DINQABPNEOCJND-DFEOGRTESA-N	1	0	370.501	1.941	20	30		FDEDRO
CC[NH+](CC)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1)C(C)C	ZINC001092866328	956740987	/nfs/dbraw/zinc/74/09/87/956740987.db2.gz	DUAQDFXQTFPMBZ-DFEOGRTESA-N	1	0	370.501	1.941	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)N2CCC[C@H](CN3CCOCC3)C2)c1	ZINC000867234328	972222016	/nfs/dbraw/zinc/22/20/16/972222016.db2.gz	DWVRLRCIBYPVCT-CQSZACIVSA-N	1	0	367.446	1.430	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[N@@H+](CCn3nc(C)cc3C)C[C@H]2C)c1	ZINC001092952578	956886950	/nfs/dbraw/zinc/88/69/50/956886950.db2.gz	NGOIKNZMYSQQIH-FOIQADDNSA-N	1	0	365.481	1.874	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1	ZINC000773135837	956895887	/nfs/dbraw/zinc/89/58/87/956895887.db2.gz	DJSKQTUMIRZIQY-MRXNPFEDSA-N	1	0	373.453	1.110	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N)[NH+]1CCCC1	ZINC001092982565	956989127	/nfs/dbraw/zinc/98/91/27/956989127.db2.gz	YDNLNGCIQQPCHH-XYVMCAHJSA-N	1	0	368.485	1.695	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1	ZINC001092972101	957028667	/nfs/dbraw/zinc/02/86/67/957028667.db2.gz	RHRXFQNXUAGYBD-OAFZBRQQSA-N	1	0	368.481	1.644	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3cc(C)[nH]c3C)[C@H](C)C2)C1=O	ZINC001093011009	957191657	/nfs/dbraw/zinc/19/16/57/957191657.db2.gz	WHTNXQYHUOGXAA-QBIMZIAESA-N	1	0	358.486	1.716	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cnc(C)cn2)C[C@H]1C	ZINC001093048564	957217256	/nfs/dbraw/zinc/21/72/56/957217256.db2.gz	MDCPDBFTMJCXIX-JZGRTCEGSA-N	1	0	358.486	1.950	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](CC[C@H]3CCCCO3)C[C@H]2C)nn1	ZINC001093035029	957252809	/nfs/dbraw/zinc/25/28/09/957252809.db2.gz	KIXQTOXUJDIKLE-BRWVUGGUSA-N	1	0	361.490	1.721	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)c1ccncn1	ZINC001093066863	957311541	/nfs/dbraw/zinc/31/15/41/957311541.db2.gz	MPIUMIXXEPSRCH-NVXWUHKLSA-N	1	0	352.413	1.965	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H]3CCC[C@]3(NC(=O)C[N@@H+](C)C3CCC3)C2)n1	ZINC001093106066	957468681	/nfs/dbraw/zinc/46/86/81/957468681.db2.gz	DSIXTNLASGKRMG-YWZLYKJASA-N	1	0	368.485	1.616	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCN(C(C)=O)C2)C1	ZINC001197535987	972279014	/nfs/dbraw/zinc/27/90/14/972279014.db2.gz	GUXPOJOQGUBXQC-LMMKCTJWSA-N	1	0	351.491	1.153	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3cc(C)n(C)n3)C[C@H]2C)nc1	ZINC001093140999	957637093	/nfs/dbraw/zinc/63/70/93/957637093.db2.gz	LMQKSFIVVFZBTF-RHSMWYFYSA-N	1	0	351.454	1.603	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]2C)cn1	ZINC001093143293	957640980	/nfs/dbraw/zinc/64/09/80/957640980.db2.gz	YKWPTNRGEJQNDW-JFIYKMOQSA-N	1	0	368.481	1.277	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1C	ZINC001093143360	957641701	/nfs/dbraw/zinc/64/17/01/957641701.db2.gz	CGVVBDHHORUNQN-HZPDHXFCSA-N	1	0	367.453	1.325	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1C	ZINC001093143629	957643127	/nfs/dbraw/zinc/64/31/27/957643127.db2.gz	TVDXPDUCDKFOCL-HZPDHXFCSA-N	1	0	367.453	1.325	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1C	ZINC001093143637	957643210	/nfs/dbraw/zinc/64/32/10/957643210.db2.gz	UHNVGDPLRUSLIP-NVXWUHKLSA-N	1	0	367.453	1.325	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)c1cn(C)c(=O)n1C	ZINC001093231652	957871437	/nfs/dbraw/zinc/87/14/37/957871437.db2.gz	NILYLHZPCOVLKY-SJLPKXTDSA-N	1	0	366.465	1.073	20	30		FDEDRO
CCn1nc(C)c(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)n1	ZINC001093258811	957894414	/nfs/dbraw/zinc/89/44/14/957894414.db2.gz	PJLNDGFQBPRXIY-RDTXWAMCSA-N	1	0	366.469	1.976	20	30		FDEDRO
Cc1nonc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1C	ZINC001093252395	957930837	/nfs/dbraw/zinc/93/08/37/957930837.db2.gz	JYQYNWCBUDHQEF-IAQYHMDHSA-N	1	0	357.389	1.887	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3cc[nH]c3C)C[C@H]2C)C1=O	ZINC001093273920	957943863	/nfs/dbraw/zinc/94/38/63/957943863.db2.gz	JGVSSSLZDGLLIQ-QGPMSJSTSA-N	1	0	358.486	1.798	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3=COCCO3)[C@H]2C(C)C)C[C@H]1O	ZINC001093427020	958041968	/nfs/dbraw/zinc/04/19/68/958041968.db2.gz	HZYSVQDUBMEOOW-DEICHXMPSA-N	1	0	370.877	1.593	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nccc(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093441740	958079047	/nfs/dbraw/zinc/07/90/47/958079047.db2.gz	AJSLYIVGHRLUSY-WOCWXWTJSA-N	1	0	358.486	1.941	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(OCC)nc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093445211	958089962	/nfs/dbraw/zinc/08/99/62/958089962.db2.gz	BDBPKEZPROXSIA-PLOVASNDSA-N	1	0	371.481	1.693	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3ccncn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093445040	958090300	/nfs/dbraw/zinc/09/03/00/958090300.db2.gz	AOKLEPWWHGQEDG-JYBIWHBTSA-N	1	0	358.486	1.561	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3nnc(C)[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093446767	958096524	/nfs/dbraw/zinc/09/65/24/958096524.db2.gz	LUGVLTUQIYQFGI-OHDICMOHSA-N	1	0	361.490	1.198	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)nnn3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093448275	958107963	/nfs/dbraw/zinc/10/79/63/958107963.db2.gz	GUVMRGGJSOZZTR-LFEHRJTNSA-N	1	0	361.490	1.372	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn4ccncc34)[C@H]2C(C)C)C[C@H]1O	ZINC001093450771	958128327	/nfs/dbraw/zinc/12/83/27/958128327.db2.gz	XOFTYKRXRNZDAC-LBKNJMOBSA-N	1	0	369.469	1.495	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C)nc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001093450934	958130008	/nfs/dbraw/zinc/13/00/08/958130008.db2.gz	PWIOLJHGDIPVGW-FTEYMNFISA-N	1	0	360.502	1.748	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)C(N)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001093451798	958135717	/nfs/dbraw/zinc/13/57/17/958135717.db2.gz	YMRCYWIWUNTLAF-MMQJMDILSA-N	1	0	371.909	1.217	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncc4[nH]ccc43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452137	958138654	/nfs/dbraw/zinc/13/86/54/958138654.db2.gz	DGKBODWRAMJJIP-XLBJILASSA-N	1	0	366.465	1.776	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(OCC)no3)[C@H]2C(C)C)C[C@H]1O	ZINC001093460018	958185866	/nfs/dbraw/zinc/18/58/66/958185866.db2.gz	XJQCMUVLKOKPKV-GNSPCKGOSA-N	1	0	363.458	1.839	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cnoc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093460789	958190726	/nfs/dbraw/zinc/19/07/26/958190726.db2.gz	XOTGEAGEFVYYEI-XYVMCAHJSA-N	1	0	367.877	1.936	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C)c(=O)[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093461394	958193748	/nfs/dbraw/zinc/19/37/48/958193748.db2.gz	IMVXOAQERBADEP-ZIGSKRJUSA-N	1	0	362.474	1.282	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CCO)C3)[C@H]2C(C)C)CC1	ZINC001093463721	958196172	/nfs/dbraw/zinc/19/61/72/958196172.db2.gz	YMAHUMJKRGKAMV-SOAMZJECSA-N	1	0	350.503	1.691	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc(=O)n3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093464663	958200539	/nfs/dbraw/zinc/20/05/39/958200539.db2.gz	GDBJIHNJQIXGAQ-GNUPYSACSA-N	1	0	359.470	1.151	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncc(C#C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093467859	958216626	/nfs/dbraw/zinc/21/66/26/958216626.db2.gz	WBCBSUIFEMIUOK-BNDYYXHWSA-N	1	0	351.450	1.276	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]C(C)C)C3)[C@@H]2C(C)C)nn1	ZINC001093468368	958218799	/nfs/dbraw/zinc/21/87/99/958218799.db2.gz	YZIIXVDTRXAXLX-VYCZESIESA-N	1	0	361.490	1.452	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc4nc[nH]c43)[C@H]2C(C)C)C[C@H]1O	ZINC001093469625	958223785	/nfs/dbraw/zinc/22/37/85/958223785.db2.gz	JCOJRJYRLXNXQZ-REHHDOPLSA-N	1	0	366.465	1.776	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(CC)nn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093469961	958226061	/nfs/dbraw/zinc/22/60/61/958226061.db2.gz	NVYJQYNZTMDDBE-DLVXIWMQSA-N	1	0	358.486	1.195	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnoc3C3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093470881	958231896	/nfs/dbraw/zinc/23/18/96/958231896.db2.gz	ATRGNAAOIGJUIN-QQTQMKHKSA-N	1	0	357.454	1.765	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(OC)cc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093471986	958237143	/nfs/dbraw/zinc/23/71/43/958237143.db2.gz	HKJPNNQSKCQHIF-ANTGDGSKSA-N	1	0	356.466	1.908	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn4cc[nH]c34)[C@H]2C(C)C)C[C@H]1O	ZINC001093472510	958238923	/nfs/dbraw/zinc/23/89/23/958238923.db2.gz	JMTKSNYBFUEYQN-JEWRLFTDSA-N	1	0	357.458	1.428	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3conc3COC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093472387	958239379	/nfs/dbraw/zinc/23/93/79/958239379.db2.gz	KXOUHVIAIAFCNF-MYZZLAAOSA-N	1	0	361.442	1.034	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn4cc[nH]c34)[C@H]2C(C)C)C[C@H]1O	ZINC001093472515	958239564	/nfs/dbraw/zinc/23/95/64/958239564.db2.gz	JMTKSNYBFUEYQN-OAFZBRQQSA-N	1	0	357.458	1.428	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ncc[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093472740	958240742	/nfs/dbraw/zinc/24/07/42/958240742.db2.gz	MTHMCFUWHZXVLS-KJWYOANISA-N	1	0	366.893	1.671	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(C(C)C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093473192	958242691	/nfs/dbraw/zinc/24/26/91/958242691.db2.gz	NFFRRZCCSKNRMB-SOAMZJECSA-N	1	0	358.486	1.677	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3coc(CCC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093475689	958253112	/nfs/dbraw/zinc/25/31/12/958253112.db2.gz	ZXWVIRFSBLLYEM-QSFMABPGSA-N	1	0	359.470	1.840	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3onc4c3CCCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452593	958258026	/nfs/dbraw/zinc/25/80/26/958258026.db2.gz	LGPYECYBNWCSAA-ZJSJBZJDSA-N	1	0	371.481	1.766	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncccc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001093453035	958261485	/nfs/dbraw/zinc/26/14/85/958261485.db2.gz	SJACETRJNNUZKX-REHHDOPLSA-N	1	0	355.482	1.857	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc[nH]c3=O)[C@H]2C(C)C)C[C@H]1O	ZINC001093453084	958261713	/nfs/dbraw/zinc/26/17/13/958261713.db2.gz	SXUJZCVVCMBYOM-OAFZBRQQSA-N	1	0	360.458	1.338	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)c3cccnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093453098	958261929	/nfs/dbraw/zinc/26/19/29/958261929.db2.gz	TVBFHDNDKCSICH-IWQHBPENSA-N	1	0	369.509	1.959	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3occ4c3CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093454996	958270077	/nfs/dbraw/zinc/27/00/77/958270077.db2.gz	ISHXROQVDRUNLH-REHHDOPLSA-N	1	0	356.466	1.981	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn4cccnc34)[C@H]2C(C)C)C[C@H]1O	ZINC001093458389	958283609	/nfs/dbraw/zinc/28/36/09/958283609.db2.gz	CSELSAKOZSLZOL-WWNBULGVSA-N	1	0	369.469	1.495	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3cccnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093458879	958287012	/nfs/dbraw/zinc/28/70/12/958287012.db2.gz	PUZGLNHUKGWVLB-QCFAMHMHSA-N	1	0	355.482	1.614	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncnc3C3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093477980	958291600	/nfs/dbraw/zinc/29/16/00/958291600.db2.gz	OPMPWJIECGXUGY-REHHDOPLSA-N	1	0	368.481	1.567	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccccc3F)[C@@H]2C(C)C)C[C@H]1O	ZINC001093477930	958291803	/nfs/dbraw/zinc/29/18/03/958291803.db2.gz	NWUPUUCCFIZQSV-UKAVVXHISA-N	1	0	358.457	1.968	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnc(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093477981	958291963	/nfs/dbraw/zinc/29/19/63/958291963.db2.gz	BATPDHWFDYAJPS-XSYGEPLQSA-N	1	0	358.486	1.941	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nc(C)c(C)s3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093478311	958293560	/nfs/dbraw/zinc/29/35/60/958293560.db2.gz	DRCWWPIUYJXWHD-YKTARERQSA-N	1	0	361.511	1.973	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccnc3N(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001093478275	958293662	/nfs/dbraw/zinc/29/36/62/958293662.db2.gz	CXHDNJLEDWQSGW-WIRSXHRWSA-N	1	0	370.497	1.361	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COc3ccc(C)cc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093478487	958293746	/nfs/dbraw/zinc/29/37/46/958293746.db2.gz	QSIPGIDUOIBWSG-WKDRNLAYSA-N	1	0	370.493	1.973	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccc(C)nc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093480466	958302701	/nfs/dbraw/zinc/30/27/01/958302701.db2.gz	KCEYLLKYNBDTSW-VURPSTOHSA-N	1	0	355.482	1.532	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)nsc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093480679	958303665	/nfs/dbraw/zinc/30/36/65/958303665.db2.gz	NUDMXXLYZAPFDB-FXRXJOCMSA-N	1	0	361.511	1.973	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3cnn(C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093481067	958306439	/nfs/dbraw/zinc/30/64/39/958306439.db2.gz	SDZVQVGIRLBSOO-HNBVOPMISA-N	1	0	360.502	1.505	20	30		FDEDRO
C=C(C)CC[NH+]1CC(OC2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)C1	ZINC001093575465	958332581	/nfs/dbraw/zinc/33/25/81/958332581.db2.gz	ZHSFBGVTZFCSKT-CVEARBPZSA-N	1	0	363.502	1.546	20	30		FDEDRO
C[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093629203	958386909	/nfs/dbraw/zinc/38/69/09/958386909.db2.gz	WHSVDYZZLTYCHT-CRAIPNDOSA-N	1	0	354.454	1.365	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001093630102	958390456	/nfs/dbraw/zinc/39/04/56/958390456.db2.gz	IKWBAYVQZFRYJZ-NVXWUHKLSA-N	1	0	367.453	1.820	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3cccc(C)n3)C[C@H]2C)C1=O	ZINC001093639467	958406604	/nfs/dbraw/zinc/40/66/04/958406604.db2.gz	BBGGWVDXYJHBTC-DJIMGWMZSA-N	1	0	356.470	1.475	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)c2cnsn2)C[C@H]1C	ZINC001093650719	958433286	/nfs/dbraw/zinc/43/32/86/958433286.db2.gz	IYGOVNAMBSDMBC-IUODEOHRSA-N	1	0	371.466	1.916	20	30		FDEDRO
C#C[C@H]([NH2+][C@@H](C)C(=O)NCCc1ccc2c(c1)OCCO2)[C@H]1CCCO1	ZINC000775783956	972353680	/nfs/dbraw/zinc/35/36/80/972353680.db2.gz	FXYNWRDWVCVMSW-BHYGNILZSA-N	1	0	358.438	1.275	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C(F)(F)F)s2)[C@H](C)C1	ZINC001093677728	958530024	/nfs/dbraw/zinc/53/00/24/958530024.db2.gz	CBKXDRZGNHQLHU-IVZWLZJFSA-N	1	0	361.393	1.901	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2cnc(C(F)(F)F)nc2)[C@H](C)C1	ZINC001093677724	958530431	/nfs/dbraw/zinc/53/04/31/958530431.db2.gz	CBESJDCRZITFTL-DMDPSCGWSA-N	1	0	355.364	1.839	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1ccnc(N(C)C)c1	ZINC001093699913	958566868	/nfs/dbraw/zinc/56/68/68/958566868.db2.gz	OZTNDZBTDSLLHX-RHSMWYFYSA-N	1	0	366.469	1.845	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2nnc[nH]2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093701369	958567942	/nfs/dbraw/zinc/56/79/42/958567942.db2.gz	LUUIGZICGCXOCA-RHSMWYFYSA-N	1	0	352.442	1.493	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2COC(=O)C2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093714993	958580647	/nfs/dbraw/zinc/58/06/47/958580647.db2.gz	IEGHLBUFIIMTQD-FHLIZLRMSA-N	1	0	355.438	1.696	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1	ZINC001197689593	972361174	/nfs/dbraw/zinc/36/11/74/972361174.db2.gz	LEIBEMDXOBXURM-NUJGCVRESA-N	1	0	351.878	1.377	20	30		FDEDRO
CCc1nnc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)[nH]1	ZINC001093725261	958606101	/nfs/dbraw/zinc/60/61/01/958606101.db2.gz	FZRWIWXHDSQGSY-YRGRVCCFSA-N	1	0	355.446	1.626	20	30		FDEDRO
COc1cc(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)ccn1	ZINC001093725766	958610584	/nfs/dbraw/zinc/61/05/84/958610584.db2.gz	DFWJZQAEUKEBTM-CZUORRHYSA-N	1	0	353.426	1.788	20	30		FDEDRO
Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)n1C1CC1	ZINC001093725815	958610894	/nfs/dbraw/zinc/61/08/94/958610894.db2.gz	GJBLIJXTOOCRPH-IUODEOHRSA-N	1	0	367.457	1.619	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)s3)[C@H](C)C2)[nH]1	ZINC001093760324	958697115	/nfs/dbraw/zinc/69/71/15/958697115.db2.gz	CJXUNZVBCZAOSO-DGCLKSJQSA-N	1	0	358.471	1.473	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+][C@H]1CCN(c2ccccc2)C1=O	ZINC001093762205	958700810	/nfs/dbraw/zinc/70/08/10/958700810.db2.gz	WZZNRRNHDZIBJT-POAQFYNOSA-N	1	0	365.477	1.889	20	30		FDEDRO
CCN1C[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cccc(C#N)c3)[C@H](C)C2)CC1=O	ZINC001093804331	958838935	/nfs/dbraw/zinc/83/89/35/958838935.db2.gz	HGIHOHDAZZRDPF-AYOQOUSVSA-N	1	0	368.481	1.611	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+][C@@H]2CCCN(C)C2=O)[C@H](C)C1	ZINC001093824668	958903030	/nfs/dbraw/zinc/90/30/30/958903030.db2.gz	DARMNSMZDYLSJV-BRWVUGGUSA-N	1	0	358.486	1.593	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001093843045	958958760	/nfs/dbraw/zinc/95/87/60/958958760.db2.gz	SAXFKOGRAVWFGQ-MLGOLLRUSA-N	1	0	369.400	1.691	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093849402	958973413	/nfs/dbraw/zinc/97/34/13/958973413.db2.gz	IDMASDKUHZWOLO-VXGBXAGGSA-N	1	0	357.439	1.613	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3[nH]ccc3C3CC3)C[C@H]2C)C1=O	ZINC001093815906	959002939	/nfs/dbraw/zinc/00/29/39/959002939.db2.gz	XWUNVVGPDXSOPF-QGPMSJSTSA-N	1	0	370.497	1.977	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3cc(C)cc(C)n3)C[C@H]2C)C1=O	ZINC001093880134	959099972	/nfs/dbraw/zinc/09/99/72/959099972.db2.gz	OIVCFBFBDAARFQ-KBAYOESNSA-N	1	0	370.497	1.783	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3ncccc3CC)C[C@H]2C)C1=O	ZINC001093880769	959103453	/nfs/dbraw/zinc/10/34/53/959103453.db2.gz	JMKRWRQLRZIXLS-KBAYOESNSA-N	1	0	370.497	1.729	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093887464	959132675	/nfs/dbraw/zinc/13/26/75/959132675.db2.gz	CRKNGMFAGSEADV-DNVCBOLYSA-N	1	0	364.449	1.755	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCCC(=O)N2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093905222	959286442	/nfs/dbraw/zinc/28/64/42/959286442.db2.gz	VPRUWYGMJLVUQD-ATZDWAIDSA-N	1	0	368.481	1.801	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ccnc(OC)n3)[C@H](C)C2)cc1	ZINC001093957430	959350025	/nfs/dbraw/zinc/35/00/25/959350025.db2.gz	PUFWOFASACMKRK-CRAIPNDOSA-N	1	0	364.449	1.964	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093986035	959426278	/nfs/dbraw/zinc/42/62/78/959426278.db2.gz	QZUKNAIJUNKOEC-FQELHTAISA-N	1	0	368.481	1.659	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+][C@H](C)c3nc(C)no3)[C@H](C)C2)c1	ZINC001094027982	959550307	/nfs/dbraw/zinc/55/03/07/959550307.db2.gz	MCOUQRZELVWTKJ-PBFPGSCMSA-N	1	0	353.426	1.813	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3cccc(OC)n3)[C@H](C)C2)c1	ZINC001094029371	959553809	/nfs/dbraw/zinc/55/38/09/959553809.db2.gz	UZXRIOPDPXJGAN-CRAIPNDOSA-N	1	0	364.449	1.964	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3cccnc3OC)[C@H](C)C2)nn1	ZINC001094095189	959770905	/nfs/dbraw/zinc/77/09/05/959770905.db2.gz	ITNSAQTYRFJRCT-GDBMZVCRSA-N	1	0	370.457	1.366	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cn(C(C)C)nn3)[C@H](C)C2)nc1	ZINC001094172364	959970281	/nfs/dbraw/zinc/97/02/81/959970281.db2.gz	OUEFUHUXZGLGPR-NVXWUHKLSA-N	1	0	366.469	1.733	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3ccc(OC)cc3)C[C@H]2C)C1=O	ZINC001094182934	959992064	/nfs/dbraw/zinc/99/20/64/959992064.db2.gz	AQBABNXOMAYGLX-SZVBFZGTSA-N	1	0	371.481	1.780	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001094223874	960055634	/nfs/dbraw/zinc/05/56/34/960055634.db2.gz	FRIYDJDURLBUNL-DGCLKSJQSA-N	1	0	371.466	1.545	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+][C@H]2CCN(C)C2=O)[C@H](C)C1	ZINC001094188378	960070592	/nfs/dbraw/zinc/07/05/92/960070592.db2.gz	RAZDPGYCZLIJJB-LZQZEXGQSA-N	1	0	353.466	1.125	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)c3cn(CCOC)nn3)CCC[C@@H]12	ZINC001094414216	960402681	/nfs/dbraw/zinc/40/26/81/960402681.db2.gz	XQZMZALWWXJQAN-NVXWUHKLSA-N	1	0	367.881	1.651	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCn1cncn1)CC2	ZINC001094418280	960410223	/nfs/dbraw/zinc/41/02/23/960410223.db2.gz	PUTQZCBVMLDMKE-AJYBTWMASA-N	1	0	373.501	1.620	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3c3ncccn3)CCC[C@@H]12	ZINC001094438546	960484568	/nfs/dbraw/zinc/48/45/68/960484568.db2.gz	JCCWDTJQUBFYIL-DBXWQHBBSA-N	1	0	367.497	1.830	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)CCC[C@@H]12	ZINC001094446165	960515300	/nfs/dbraw/zinc/51/53/00/960515300.db2.gz	SQCWIIAADCYRQJ-PNBKFKSVSA-N	1	0	374.403	1.717	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4c(c3)nnn4C)CCC[C@@H]12	ZINC001094470556	960634731	/nfs/dbraw/zinc/63/47/31/960634731.db2.gz	JYWBILDLKKVWDO-VQIMIIECSA-N	1	0	352.442	1.361	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(-n4cncn4)nc3)CCC[C@@H]12	ZINC001094481753	960663745	/nfs/dbraw/zinc/66/37/45/960663745.db2.gz	DZCCVRVFGHDAAZ-YLJYHZDGSA-N	1	0	364.453	1.660	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)CCC[C@@H]12	ZINC001094512928	960700929	/nfs/dbraw/zinc/70/09/29/960700929.db2.gz	YLWHBOFQQZTPCO-AXVVYFOYSA-N	1	0	363.502	1.559	20	30		FDEDRO
C#C[C@H]([NH2+][C@H](C)C(=O)N(C)C[C@H]1COc2ccccc2O1)[C@@H]1CCCO1	ZINC000775794412	972527582	/nfs/dbraw/zinc/52/75/82/972527582.db2.gz	HVYVTFZGVCGLOU-QZWWFDLISA-N	1	0	358.438	1.444	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](C[C@@H](C)OC)CC3)nn1	ZINC001094531368	960738465	/nfs/dbraw/zinc/73/84/65/960738465.db2.gz	LUCXDEBGEDCGPM-SZVBFZGTSA-N	1	0	361.490	1.864	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCN(C)S3(=O)=O)CCC[C@@H]12	ZINC001094535492	960754994	/nfs/dbraw/zinc/75/49/94/960754994.db2.gz	DGXVSTGLORNJLE-LZLYRXPVSA-N	1	0	369.531	1.347	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2nonc2C)C1	ZINC001181525379	960904434	/nfs/dbraw/zinc/90/44/34/960904434.db2.gz	MMQWBKXXJGTAOS-HAYUQVRISA-N	1	0	362.474	1.933	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCO[C@H]2C=C)C[C@H]1C	ZINC001181525809	960906736	/nfs/dbraw/zinc/90/67/36/960906736.db2.gz	VAIACBMJKLGDQC-PDOICOKGSA-N	1	0	363.502	1.344	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cn(C4CCOCC4)nn3)CCC[C@@H]12	ZINC001094557071	960910480	/nfs/dbraw/zinc/91/04/80/960910480.db2.gz	DRLHGDVBCNCHPT-UYAOXDASSA-N	1	0	371.485	1.627	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC(=O)N(C2C[NH+](CC3CCCC3)C2)C1	ZINC001094787670	961165693	/nfs/dbraw/zinc/16/56/93/961165693.db2.gz	CPCYFAJKSVGWHB-JQHSSLGASA-N	1	0	361.486	1.169	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCC3CC3)C2)C1	ZINC001094795157	961178410	/nfs/dbraw/zinc/17/84/10/961178410.db2.gz	JLPCFZKAEULUOG-IEZWGBDMSA-N	1	0	361.486	1.169	20	30		FDEDRO
C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1	ZINC000773948417	961180066	/nfs/dbraw/zinc/18/00/66/961180066.db2.gz	MJRMAOWEVZVGSG-OAHLLOKOSA-N	1	0	356.470	1.636	20	30		FDEDRO
C[C@H](CCCC#N)[NH2+][C@@H]1CCc2c(ccc(=O)n2CCN2CCOCC2)C1	ZINC001172478989	961667220	/nfs/dbraw/zinc/66/72/20/961667220.db2.gz	GFBRDROLIZSIGV-IEBWSBKVSA-N	1	0	372.513	1.710	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1COC(=O)c1cc(Br)c(C)n(C)c1=O	ZINC000774080991	961676081	/nfs/dbraw/zinc/67/60/81/961676081.db2.gz	VKTFVXFTSFOTPX-LBPRGKRZSA-N	1	0	367.243	1.711	20	30		FDEDRO
C[C@H](CCCC#N)[NH+]1CCC2(CC1)CN(C(=O)c1cnccn1)CCO2	ZINC001172497541	961687572	/nfs/dbraw/zinc/68/75/72/961687572.db2.gz	CRWWCPFTJNVIAR-MRXNPFEDSA-N	1	0	357.458	1.866	20	30		FDEDRO
C[C@H](CCCC#N)[N@@H+]1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@H]21	ZINC001172499908	961689664	/nfs/dbraw/zinc/68/96/64/961689664.db2.gz	VKWHQDTWCOLFAY-JOCBIADPSA-N	1	0	357.458	1.768	20	30		FDEDRO
C#CCCN1CCC[C@H]([NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)C1=O	ZINC001172886500	961817973	/nfs/dbraw/zinc/81/79/73/961817973.db2.gz	HRWFJIOCJNVPRV-KRWDZBQOSA-N	1	0	363.502	1.396	20	30		FDEDRO
C#CCN(C(=O)NCCC[NH+](CCC)CCC)[C@@H]1CCS(=O)(=O)C1	ZINC000774199779	961824653	/nfs/dbraw/zinc/82/46/53/961824653.db2.gz	MNXYZCCNGHRFTK-MRXNPFEDSA-N	1	0	357.520	1.330	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC2CCS(=O)(=O)CC2)C[C@H]1C#N	ZINC001172968024	961854500	/nfs/dbraw/zinc/85/45/00/961854500.db2.gz	GUIRUOOORHOLMA-GJZGRUSLSA-N	1	0	371.503	1.692	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CCS(=O)(=O)CC2)C[C@H]1C#N	ZINC001172969407	961855868	/nfs/dbraw/zinc/85/58/68/961855868.db2.gz	VBPOCDXXYJYEFN-KGLIPLIRSA-N	1	0	357.476	1.445	20	30		FDEDRO
CC(C)N1C[C@@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1=O	ZINC001172972592	961858445	/nfs/dbraw/zinc/85/84/45/961858445.db2.gz	BENFUDQQKRJJDB-KKUMJFAQSA-N	1	0	350.463	1.877	20	30		FDEDRO
CC[N@H+](CCN1CCOCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1	ZINC001172988459	961870300	/nfs/dbraw/zinc/87/03/00/961870300.db2.gz	BMTHHCQHVAOGLZ-SJORKVTESA-N	1	0	366.506	1.932	20	30		FDEDRO
N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CCc1ccccc1	ZINC001110300738	962063199	/nfs/dbraw/zinc/06/31/99/962063199.db2.gz	LGSYKGCKGBYOLX-MKXGPGLRSA-N	1	0	373.522	1.958	20	30		FDEDRO
N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cc1ccccc1	ZINC001110300792	962064373	/nfs/dbraw/zinc/06/43/73/962064373.db2.gz	MXVIVJVEABABRK-TVFCKZIOSA-N	1	0	359.495	1.568	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+]C3CN(CC(F)(F)F)C3)CC2)cc1	ZINC001173427728	962140100	/nfs/dbraw/zinc/14/01/00/962140100.db2.gz	CELRCTRGRMIYNA-UHFFFAOYSA-N	1	0	366.387	1.999	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([N@@H+]3CCO[C@]4(CCOC4)C3)CC2)cc1	ZINC001173430522	962146381	/nfs/dbraw/zinc/14/63/81/962146381.db2.gz	TWYTWQLUMIKNJZ-HXUWFJFHSA-N	1	0	355.438	1.654	20	30		FDEDRO
N#CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2cccn2)C3)cc1	ZINC001095178813	962240905	/nfs/dbraw/zinc/24/09/05/962240905.db2.gz	RCHUXUSDGRFSLM-NEWSRXKRSA-N	1	0	365.437	1.707	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2cnns2)C1	ZINC001182669392	962379910	/nfs/dbraw/zinc/37/99/10/962379910.db2.gz	OCVLDTUDFDAIKD-JJAZEVLHSA-N	1	0	350.488	1.703	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[N@@H+](C2CCC(C)(C#N)CC2)C[C@H]1C(N)=O	ZINC001173596701	962472941	/nfs/dbraw/zinc/47/29/41/962472941.db2.gz	BDIIDFYQBYIIES-FVRSWCFKSA-N	1	0	350.463	1.865	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1	ZINC000957522105	1013366605	/nfs/dbraw/zinc/36/66/05/1013366605.db2.gz	JGJPVDJGCBKCGD-FUHIMQAGSA-N	1	0	367.493	1.515	20	30		FDEDRO
C[NH+]1CCN(c2ccc(Nc3cccc(S(N)(=O)=O)c3)cc2C#N)CC1	ZINC001174243980	962792345	/nfs/dbraw/zinc/79/23/45/962792345.db2.gz	XSFKKPOPPSXAKH-UHFFFAOYSA-N	1	0	371.466	1.701	20	30		FDEDRO
CN(CC#N)C(=O)C1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC001183145855	962830233	/nfs/dbraw/zinc/83/02/33/962830233.db2.gz	LEDVKGBHAAZTNS-HNNXBMFYSA-N	1	0	350.463	1.690	20	30		FDEDRO
C[C@]1(O)C=C[C@@H](O)C(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)=C1	ZINC001183544074	963102805	/nfs/dbraw/zinc/10/28/05/963102805.db2.gz	KJUSZUSDEGJULG-QUCCMNQESA-N	1	0	367.449	1.269	20	30		FDEDRO
C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1	ZINC001175237686	963104547	/nfs/dbraw/zinc/10/45/47/963104547.db2.gz	RLKHDOOGQLXFGC-ZACQAIPSSA-N	1	0	353.507	1.853	20	30		FDEDRO
C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1	ZINC001175237732	963105262	/nfs/dbraw/zinc/10/52/62/963105262.db2.gz	RVCHTDBTBYATEQ-ZNMIVQPWSA-N	1	0	359.898	1.639	20	30		FDEDRO
C[C@@H](CCCC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)[C@H]1C[C@H]1C(N)=O	ZINC001175287387	963121382	/nfs/dbraw/zinc/12/13/82/963121382.db2.gz	DWZOHBODKNTIKR-MAZHCROVSA-N	1	0	360.433	1.583	20	30		FDEDRO
N#Cc1c(N)nc(=NC2CC2)n(-c2ccc(C[NH+]3CCCCC3)cc2)c1N	ZINC001175361787	963167779	/nfs/dbraw/zinc/16/77/79/963167779.db2.gz	YCKURYYRABBINO-UHFFFAOYSA-N	1	0	363.469	1.957	20	30		FDEDRO
C#C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@H]1CCCO1	ZINC000773554057	963382455	/nfs/dbraw/zinc/38/24/55/963382455.db2.gz	DGSQUWCXVPOBNE-WOJBJXKFSA-N	1	0	371.481	1.623	20	30		FDEDRO
C#C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@@H]1CCCO1	ZINC000773554035	963382655	/nfs/dbraw/zinc/38/26/55/963382655.db2.gz	DGSQUWCXVPOBNE-UXHICEINSA-N	1	0	371.481	1.623	20	30		FDEDRO
C#C[C@H](NC(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1)[C@H]1CCCO1	ZINC000773556526	963384309	/nfs/dbraw/zinc/38/43/09/963384309.db2.gz	DFJRUYULLCJOPA-RBUKOAKNSA-N	1	0	365.518	1.947	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N1CCCC1=O)C2	ZINC001110194775	963435781	/nfs/dbraw/zinc/43/57/81/963435781.db2.gz	AITAWJYOFZBGBF-VUHPKUFZSA-N	1	0	363.502	1.558	20	30		FDEDRO
CN(C)c1cc[nH+]cc1NC(=O)[C@@H]1CN(c2cccc(C#N)c2)C(=O)O1	ZINC001184373774	963559921	/nfs/dbraw/zinc/55/99/21/963559921.db2.gz	IFZHXPXSVGBCLV-INIZCTEOSA-N	1	0	351.366	1.983	20	30		FDEDRO
C[N@@H+]1CCC[C@H](CCNC(=O)[C@H]2CN(c3cccc(C#N)c3)C(=O)O2)C1	ZINC001184376374	963562434	/nfs/dbraw/zinc/56/24/34/963562434.db2.gz	RLZSFXCSBLCCQY-RHSMWYFYSA-N	1	0	356.426	1.732	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CCC[NH2+][C@@H](C)C(N)=O)CC1CCCC1	ZINC001177319337	963759124	/nfs/dbraw/zinc/75/91/24/963759124.db2.gz	IYBUMWNMSHSPLM-JQHSSLGASA-N	1	0	365.518	1.840	20	30		FDEDRO
CO/N=C(\C(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1)c1ccco1	ZINC001177351160	963795421	/nfs/dbraw/zinc/79/54/21/963795421.db2.gz	RAJSQIIKDPGZNN-FOQCPVEISA-N	1	0	354.410	1.901	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1OCC[C@H]1C	ZINC001177419571	963822993	/nfs/dbraw/zinc/82/29/93/963822993.db2.gz	CIDRUMBBZWMNRQ-APWZRJJASA-N	1	0	363.502	1.159	20	30		FDEDRO
COc1cc(C)nc(N(C(=O)C#Cc2cccnc2)C2CC[NH2+]CC2)n1	ZINC001177777837	963949882	/nfs/dbraw/zinc/94/98/82/963949882.db2.gz	ZWSZXCFZOCTONF-UHFFFAOYSA-N	1	0	351.410	1.325	20	30		FDEDRO
C=CCC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@H]3OCC[C@H]3CC)C2)nn1	ZINC001185953435	964213058	/nfs/dbraw/zinc/21/30/58/964213058.db2.gz	HCNMDHWDQOQLDA-NXHRZFHOSA-N	1	0	361.490	1.922	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)CN2CC[C@H](O)C2)[C@H]2CC[C@H]([NH3+])CC2)cc1	ZINC001186058053	964287900	/nfs/dbraw/zinc/28/79/00/964287900.db2.gz	PONLVVWSIDPSCA-FHWLQOOXSA-N	1	0	356.470	1.223	20	30		FDEDRO
COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)C#Cc1ccc(F)cc1F	ZINC001178574577	964307429	/nfs/dbraw/zinc/30/74/29/964307429.db2.gz	SKXNAGXNERAGDZ-INIZCTEOSA-N	1	0	361.348	1.340	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CNC(=O)C2CC2)C1	ZINC001186172442	964356955	/nfs/dbraw/zinc/35/69/55/964356955.db2.gz	WQHXXDNYBFGFSQ-IEBWSBKVSA-N	1	0	371.456	1.507	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N(CC)CC)[C@@H]1C	ZINC001178725017	964360826	/nfs/dbraw/zinc/36/08/26/964360826.db2.gz	DJTBAEGYXNLWLK-YVSFHVDLSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001186234087	964365829	/nfs/dbraw/zinc/36/58/29/964365829.db2.gz	HCSOAIUELSOAIG-ZIFCJYIRSA-N	1	0	356.470	1.758	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@H]1OCC[C@H]1CC	ZINC001178743431	964416265	/nfs/dbraw/zinc/41/62/65/964416265.db2.gz	CYRDJICSHASJAG-ZACQAIPSSA-N	1	0	353.507	1.758	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@@H]1CCN(c2ccn(C)n2)C1=O	ZINC001110379119	964419912	/nfs/dbraw/zinc/41/99/12/964419912.db2.gz	WYTCUCBENXSPFC-LVQVYYBASA-N	1	0	357.458	1.213	20	30		FDEDRO
CC(=O)N1CCC([NH+]2CCC(C(=O)Nc3onc(C)c3C#N)CC2)CC1	ZINC001179008082	964621912	/nfs/dbraw/zinc/62/19/12/964621912.db2.gz	RBFZRKZCJBAPIT-UHFFFAOYSA-N	1	0	359.430	1.516	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)[C@H]1C	ZINC001179121573	964729900	/nfs/dbraw/zinc/72/99/00/964729900.db2.gz	AIUSLLJPGOOZLD-YJNKXOJESA-N	1	0	364.490	1.259	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H](CC)c1ccccc1OCC(=O)N1CCCC1	ZINC000775055388	964790587	/nfs/dbraw/zinc/79/05/87/964790587.db2.gz	XXQBLALUWWFXBR-KRWDZBQOSA-N	1	0	357.454	1.478	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCCO3)[C@@H]2C1	ZINC001186959190	964912115	/nfs/dbraw/zinc/91/21/15/964912115.db2.gz	QPPRMZUZHRCIIB-RCCFBDPRSA-N	1	0	361.486	1.289	20	30		FDEDRO
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2ccc(C[NH3+])nc21	ZINC001179587656	964918309	/nfs/dbraw/zinc/91/83/09/964918309.db2.gz	JXQFJQZVUAISKW-HNNXBMFYSA-N	1	0	358.442	1.736	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+][C@H]1CCCN(C)C1=O	ZINC001179633736	964941114	/nfs/dbraw/zinc/94/11/14/964941114.db2.gz	JVGNUYYCQLLPMU-IKGGRYGDSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1C1CC1	ZINC001179783976	964987290	/nfs/dbraw/zinc/98/72/90/964987290.db2.gz	QAJQPBDNHPHRFR-JKSUJKDBSA-N	1	0	364.490	1.311	20	30		FDEDRO
C=CCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(c4ccn(C)n4)C3=O)C[C@H]21	ZINC001187240073	965114301	/nfs/dbraw/zinc/11/43/01/965114301.db2.gz	LROFUNAAPSDYCM-ARFHVFGLSA-N	1	0	357.458	1.024	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@H+](CCOC[C@@H]4CCCO4)C[C@H]32)c1	ZINC001187465252	965377919	/nfs/dbraw/zinc/37/79/19/965377919.db2.gz	DBUMISBMTDFEIY-XYJFISCASA-N	1	0	358.442	1.228	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]21	ZINC001187480565	965415454	/nfs/dbraw/zinc/41/54/54/965415454.db2.gz	ZDOVFSPBAQVZLX-DLBZAZTESA-N	1	0	351.491	1.369	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3CC)C[C@H]21	ZINC001187598257	965520360	/nfs/dbraw/zinc/52/03/60/965520360.db2.gz	JWJNUCVPPRJROX-RBUKOAKNSA-N	1	0	353.466	1.421	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3C[N@H+](CCOC[C@@H]4CCCO4)C[C@H]32)c[nH]1	ZINC001187569380	965535590	/nfs/dbraw/zinc/53/55/90/965535590.db2.gz	JLYCWBAQKNHBIO-JCGIZDLHSA-N	1	0	358.442	1.228	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C#N)ccc3OC)C[C@H]21	ZINC001187754796	965718060	/nfs/dbraw/zinc/71/80/60/965718060.db2.gz	DSCZFGNHBOWHAX-CDXJDZJCSA-N	1	0	369.465	1.927	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+]([C@H](CC)C(N)=O)CC2	ZINC000957608089	1013594783	/nfs/dbraw/zinc/59/47/83/1013594783.db2.gz	DCUFNHHYBPFZLU-ZACQAIPSSA-N	1	0	363.502	1.546	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2CN(Cc3cc(F)ccc3OC)C[C@H]21	ZINC001187857109	965794985	/nfs/dbraw/zinc/79/49/85/965794985.db2.gz	IWKUJRFZSRYDPW-MAUKXSAKSA-N	1	0	360.429	1.907	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)C[C@H]21	ZINC001187874344	965869799	/nfs/dbraw/zinc/86/97/99/965869799.db2.gz	SLGYGUCAHPDECL-ZWKOTPCHSA-N	1	0	370.449	1.530	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@@H+](CCOc3ccccc3C)C[C@H]21	ZINC001187874313	965870874	/nfs/dbraw/zinc/87/08/74/965870874.db2.gz	RRARQZZCWMRWNX-RBUKOAKNSA-N	1	0	356.466	1.946	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3N(C)C)C[C@H]21	ZINC001187882686	965882460	/nfs/dbraw/zinc/88/24/60/965882460.db2.gz	SNXFPKOWSHSJRF-IMFGXOCKSA-N	1	0	355.482	1.824	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)COCc3cc[nH]c(=O)c3)[C@@H]2C1	ZINC001188342717	966221595	/nfs/dbraw/zinc/22/15/95/966221595.db2.gz	OXGGKEHSQBVXSW-DLBZAZTESA-N	1	0	361.442	1.039	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3nc(OC)cc(OC)n3)[C@@H]2C1	ZINC001188343309	966223068	/nfs/dbraw/zinc/22/30/68/966223068.db2.gz	UXLSBZYTSMALBZ-SOUVJXGZSA-N	1	0	360.458	1.995	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc4cccnc4c3)[C@@H]2C1	ZINC001188308280	966233358	/nfs/dbraw/zinc/23/33/58/966233358.db2.gz	WMSPPKZJCGUYHF-PZJWPPBQSA-N	1	0	363.461	1.960	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnc4sccn4c3=O)[C@@H]2C1	ZINC001188484912	966312953	/nfs/dbraw/zinc/31/29/53/966312953.db2.gz	DMUMTWLIGWLVLX-DZGCQCFKSA-N	1	0	358.467	1.869	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(c3)CCOC4)[C@@H]2C1	ZINC001188528810	966363766	/nfs/dbraw/zinc/36/37/66/966363766.db2.gz	WEPOWJNSNWCQNP-AZUAARDMSA-N	1	0	354.450	1.555	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3COc4ccccc4C3)[C@@H]2C1	ZINC001188494642	966368291	/nfs/dbraw/zinc/36/82/91/966368291.db2.gz	HLALXTRTKFDWPC-GBESFXJTSA-N	1	0	356.466	1.973	20	30		FDEDRO
CS(=O)(=O)N(CC[NH3+])C(=O)c1ccc(-c2ccc(C#N)c(F)c2)cc1	ZINC001188689641	966497284	/nfs/dbraw/zinc/49/72/84/966497284.db2.gz	YLFCIOQDCAVQHS-UHFFFAOYSA-N	1	0	361.398	1.725	20	30		FDEDRO
C[NH+]1CCN(c2ccc(-c3noc([C@]4(C#N)CCCOC4)n3)nc2)CC1	ZINC000867043950	966516395	/nfs/dbraw/zinc/51/63/95/966516395.db2.gz	QNIQRCIXJRGNNM-SFHVURJKSA-N	1	0	354.414	1.455	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3nc4ccccn4c3=O)[C@@H]2C1	ZINC001188738524	966547113	/nfs/dbraw/zinc/54/71/13/966547113.db2.gz	IFEIAHOAYXZWNW-YESZJQIVSA-N	1	0	369.469	1.383	20	30		FDEDRO
C#CCCCCCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)COCCOC)C[C@H]21	ZINC001188807408	966594774	/nfs/dbraw/zinc/59/47/74/966594774.db2.gz	CMQOBDFLCKOSDC-GBESFXJTSA-N	1	0	366.502	1.127	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4cnn(C)c4C3)[C@@H]2C1	ZINC001188941279	966656780	/nfs/dbraw/zinc/65/67/80/966656780.db2.gz	GKSONKLBVQLUPV-HHXXYDBFSA-N	1	0	358.486	1.260	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC(C)(F)F)[C@@H]2C1	ZINC001189055448	966723077	/nfs/dbraw/zinc/72/30/77/966723077.db2.gz	UWXOHMDNWZRPEO-LSDHHAIUSA-N	1	0	355.429	1.765	20	30		FDEDRO
COc1ccc(C#N)c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)c1	ZINC001189066670	966729915	/nfs/dbraw/zinc/72/99/15/966729915.db2.gz	FQRHNGJQJFMENL-UHFFFAOYSA-N	1	0	351.410	1.966	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(-n4cncn4)c3)[C@@H]2C1	ZINC001189077447	966752566	/nfs/dbraw/zinc/75/25/66/966752566.db2.gz	REXDNFAPYDVQAX-PKOBYXMFSA-N	1	0	365.437	1.063	20	30		FDEDRO
C[Si](C)(C)C#Cc1ccc(C(=O)NCCN(CC[NH3+])N(O)N=O)cc1	ZINC001189177160	966805210	/nfs/dbraw/zinc/80/52/10/966805210.db2.gz	YEORZBPQZGNVCM-UHFFFAOYSA-N	1	0	363.494	1.194	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CC[C@H]3C[N@@H+](CCCOC(C)C)C[C@H]32)nn1	ZINC001189382813	966932771	/nfs/dbraw/zinc/93/27/71/966932771.db2.gz	WJGJQLRKYJMUOC-FUHWJXTLSA-N	1	0	361.490	1.816	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCCCN3C(C)=O)[C@@H]2C1	ZINC001189413704	966960914	/nfs/dbraw/zinc/96/09/14/966960914.db2.gz	GREZKWLILHTHMW-IPMKNSEASA-N	1	0	363.502	1.513	20	30		FDEDRO
COCC#CCN1C[C@@H]2CCN(C(=O)c3n[nH]c4c3C[C@@H](C)CC4)[C@@H]2C1	ZINC001189597646	967067098	/nfs/dbraw/zinc/06/70/98/967067098.db2.gz	LCPJOZVUBVHKPB-RLFYNMQTSA-N	1	0	356.470	1.331	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)CC1	ZINC000775266212	967071406	/nfs/dbraw/zinc/07/14/06/967071406.db2.gz	HLCZUAIMCWCXIF-INIZCTEOSA-N	1	0	370.453	1.071	20	30		FDEDRO
N#CC[C@@H]1CCC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1	ZINC000852319505	967220155	/nfs/dbraw/zinc/22/01/55/967220155.db2.gz	NXNQZZTWDZZGLX-AWEZNQCLSA-N	1	0	361.446	1.288	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3Cc4ccccc4C3=O)[C@@H]2C1	ZINC001189836825	967296503	/nfs/dbraw/zinc/29/65/03/967296503.db2.gz	ZKISDMGIFQRYAQ-PKOBYXMFSA-N	1	0	369.465	1.378	20	30		FDEDRO
N#CCCNC(=O)C[NH2+][C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852452828	967329262	/nfs/dbraw/zinc/32/92/62/967329262.db2.gz	HAUPDIKTNMGGKZ-LBPRGKRZSA-N	1	0	354.332	1.126	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+][C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852453752	967331806	/nfs/dbraw/zinc/33/18/06/967331806.db2.gz	LYIZWKBURJSSPO-AAEUAGOBSA-N	1	0	355.360	1.787	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)C(=O)N(CC)CC)C[C@H]32)nc1	ZINC001189844840	967347637	/nfs/dbraw/zinc/34/76/37/967347637.db2.gz	YJELPUGUDXBRBS-VDZJLULYSA-N	1	0	368.481	1.466	20	30		FDEDRO
C#CCNC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1	ZINC000852472217	967355257	/nfs/dbraw/zinc/35/52/57/967355257.db2.gz	ALTYWCVLKMILQU-KGLIPLIRSA-N	1	0	359.392	1.391	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cn4c(cccc4C)n3)[C@@H]2C1	ZINC001190090307	967528563	/nfs/dbraw/zinc/52/85/63/967528563.db2.gz	NWSPACDCATXFOE-FUHWJXTLSA-N	1	0	354.454	1.992	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NCC(=O)Nc1ccc(Br)cc1	ZINC000852818030	967630617	/nfs/dbraw/zinc/63/06/17/967630617.db2.gz	OQDSBUINAMAHDO-UHFFFAOYSA-N	1	0	364.243	1.507	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CC#Cc3ccccc3)C2)C1	ZINC001190221811	967638079	/nfs/dbraw/zinc/63/80/79/967638079.db2.gz	OOQKFCVCBBKDHH-BHIYHBOVSA-N	1	0	353.466	1.486	20	30		FDEDRO
N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cc(-c2ccc(Br)cc2)no1	ZINC000852827329	967638680	/nfs/dbraw/zinc/63/86/80/967638680.db2.gz	GMTNRKGCZFBYLN-ZWNOBZJWSA-N	1	0	361.199	1.945	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCN(C(=O)c2ccc(F)cc2F)CC1	ZINC000852832773	967642841	/nfs/dbraw/zinc/64/28/41/967642841.db2.gz	QGAZXQXWPNIPSF-UHFFFAOYSA-N	1	0	361.392	1.252	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NCc1ccc(N2CCC(O)CC2)c(F)c1	ZINC000852860021	967666680	/nfs/dbraw/zinc/66/66/80/967666680.db2.gz	HUYRVQJWRPMIKW-UHFFFAOYSA-N	1	0	359.445	1.406	20	30		FDEDRO
NC(=O)c1cccc(Oc2ccc(NC(=O)C#CC3CC[NH2+]CC3)cn2)c1	ZINC000852864968	967670620	/nfs/dbraw/zinc/67/06/20/967670620.db2.gz	NUNMOSHUUBIRIT-UHFFFAOYSA-N	1	0	364.405	1.914	20	30		FDEDRO
CC[C@@H](NC(=O)C#CC1CC[NH2+]CC1)[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000852871883	967678039	/nfs/dbraw/zinc/67/80/39/967678039.db2.gz	DECFWWUSYFOSSS-RTWAWAEBSA-N	1	0	369.509	1.785	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](Cc3ccccc3)OC)[C@@H]2C1	ZINC001190241110	967689756	/nfs/dbraw/zinc/68/97/56/967689756.db2.gz	OPWHXDMGYPIQQE-XUVXKRRUSA-N	1	0	356.466	1.427	20	30		FDEDRO
C=CC[C@]1(C(=O)Nc2ccc(OCCS(C)(=O)=O)cc2)CCC[NH2+]1	ZINC000852902483	967696417	/nfs/dbraw/zinc/69/64/17/967696417.db2.gz	NDCZFNSXZOXPSY-QGZVFWFLSA-N	1	0	352.456	1.747	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCc2ncnn21	ZINC001110425005	967743952	/nfs/dbraw/zinc/74/39/52/967743952.db2.gz	CMTYVAMNYAEYNG-TWMKSMIVSA-N	1	0	359.474	1.470	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(C)s3)[C@@H]2C1	ZINC001190323728	967750557	/nfs/dbraw/zinc/75/05/57/967750557.db2.gz	CVJSVZJEYHBZQU-HLLBOEOZSA-N	1	0	361.511	1.822	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cc4ccccc4n3C)[C@@H]2C1	ZINC001190410070	967823886	/nfs/dbraw/zinc/82/38/86/967823886.db2.gz	UDICYRYDWIWQPY-GHTZIAJQSA-N	1	0	365.477	1.903	20	30		FDEDRO
C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1	ZINC000853242557	967940225	/nfs/dbraw/zinc/94/02/25/967940225.db2.gz	UBTBFFCZSIGVHV-MRXNPFEDSA-N	1	0	367.490	1.330	20	30		FDEDRO
C=CCC1(S(=O)(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)OC)C3)CC2)CC1	ZINC001190804422	968102186	/nfs/dbraw/zinc/10/21/86/968102186.db2.gz	HXULJUDCWLPYJK-HNNXBMFYSA-N	1	0	370.515	1.774	20	30		FDEDRO
Cc1n[nH]c(C)c1S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000775468571	968662667	/nfs/dbraw/zinc/66/26/67/968662667.db2.gz	XMXYKDPPOXSDSF-UHFFFAOYSA-N	1	0	361.471	1.651	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](C[C@H]2[C@H](c3ccccc3)C2(F)F)C[C@H]1O	ZINC001191778300	968747871	/nfs/dbraw/zinc/74/78/71/968747871.db2.gz	VOOAAZYHIMNALY-LHHMISFZSA-N	1	0	366.408	1.399	20	30		FDEDRO
CSC[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccc(OCC#N)cc2)C[C@H]1O	ZINC001191806974	968786462	/nfs/dbraw/zinc/78/64/62/968786462.db2.gz	GEFLFEKJVKFNIJ-KBRIMQKVSA-N	1	0	363.483	1.249	20	30		FDEDRO
C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@@H](C)CS(C)(=O)=O)C2	ZINC001111714802	968884832	/nfs/dbraw/zinc/88/48/32/968884832.db2.gz	QKNHFUCLIYOFCW-AOIWGVFYSA-N	1	0	368.543	1.831	20	30		FDEDRO
C=CCN1CCN(C(=O)NCc2cc(=O)oc3cc4c(cc23)OCO4)CC1	ZINC001192083130	968925109	/nfs/dbraw/zinc/92/51/09/968925109.db2.gz	BOHFCHWLPOTROB-UHFFFAOYSA-N	1	0	371.393	1.535	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2cccc3ccccc32)C[C@H]1O	ZINC001192530669	969175804	/nfs/dbraw/zinc/17/58/04/969175804.db2.gz	PNIBVTMQYALHFR-SFHLNBCPSA-N	1	0	354.450	1.828	20	30		FDEDRO
CCOC(=O)[C@H](Cc1ccccc1)NC(=O)NC1(C#N)CC[NH+](C)CC1	ZINC001192799190	969306546	/nfs/dbraw/zinc/30/65/46/969306546.db2.gz	HJPCFPLYFVNTGQ-INIZCTEOSA-N	1	0	358.442	1.448	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2)C[C@H]1O	ZINC001192878904	969322708	/nfs/dbraw/zinc/32/27/08/969322708.db2.gz	NHBXNGYBEPCVQU-WOJBJXKFSA-N	1	0	352.434	1.541	20	30		FDEDRO
CC(C)(C)C#CC(=O)N[C@@H]1C[N@H+](CCCCC2CCOCC2)C[C@H]1O	ZINC001192871474	969326220	/nfs/dbraw/zinc/32/62/20/969326220.db2.gz	QQHYFHNVWFNAFF-QZTJIDSGSA-N	1	0	350.503	1.794	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc3ccccc3c2)C[C@H]1O	ZINC001192900049	969355153	/nfs/dbraw/zinc/35/51/53/969355153.db2.gz	ZQXJFGMTNFCRNU-CDHQVMDDSA-N	1	0	352.434	1.539	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]nc3c2CCCC3)C1	ZINC001192977775	969415839	/nfs/dbraw/zinc/41/58/39/969415839.db2.gz	LBKLLDIFISGUFW-RTBURBONSA-N	1	0	362.518	1.963	20	30		FDEDRO
Cc1noc(C)c1C[N@H+]1CCCC12CCN(S(=O)(=O)[C@@H](C)C#N)CC2	ZINC001193117947	969481956	/nfs/dbraw/zinc/48/19/56/969481956.db2.gz	JFPLSZOKSOHAES-ZDUSSCGKSA-N	1	0	366.487	1.964	20	30		FDEDRO
COc1cc(N2CCC([NH+](C)C)CC2)ccc1NS(=O)(=O)[C@@H](C)C#N	ZINC001193161449	969521266	/nfs/dbraw/zinc/52/12/66/969521266.db2.gz	OXQBFCOOOYTSKP-ZDUSSCGKSA-N	1	0	366.487	1.879	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O)OCC	ZINC001193422309	969697469	/nfs/dbraw/zinc/69/74/69/969697469.db2.gz	OSKLJFPQVSPQDZ-KURKYZTESA-N	1	0	354.491	1.336	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1CN(Cc2cc(C3CC3)no2)C[C@H]1O)OCC	ZINC001193422330	969697617	/nfs/dbraw/zinc/69/76/17/969697617.db2.gz	PDHIKKXIIFCSBH-KZNAEPCWSA-N	1	0	363.458	1.585	20	30		FDEDRO
C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cc(F)c3ccccc3c2)C1	ZINC001193568792	969740723	/nfs/dbraw/zinc/74/07/23/969740723.db2.gz	KREIWXLFISHJCF-RTBURBONSA-N	1	0	358.413	1.956	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2C(F)F)C1	ZINC001193811940	969876470	/nfs/dbraw/zinc/87/64/70/969876470.db2.gz	IMEKRIVJHTZFJW-ZIAGYGMSSA-N	1	0	356.417	1.879	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@@H+](CC)[C@H]2CCCNC2=O)CC1	ZINC000957755581	1013915941	/nfs/dbraw/zinc/91/59/41/1013915941.db2.gz	ILBFPHLJSMMJAU-SQNIBIBYSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CC[C@H](C(F)(F)F)O2)C1	ZINC001193918818	969923400	/nfs/dbraw/zinc/92/34/00/969923400.db2.gz	IZHJQVOXGYMPJO-REWJHTLYSA-N	1	0	350.381	1.614	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc(OC)ccc2OC)C1	ZINC001193919275	969924504	/nfs/dbraw/zinc/92/45/04/969924504.db2.gz	QQHJIEYFOMLLFK-BMGDILEWSA-N	1	0	362.470	1.762	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCOC[C@H]2CCCO2)C1	ZINC001194342591	970144596	/nfs/dbraw/zinc/14/45/96/970144596.db2.gz	MPTZDQSFQSUDAJ-KZNAEPCWSA-N	1	0	354.491	1.480	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3c2OCCC3)C1	ZINC001194415523	970163343	/nfs/dbraw/zinc/16/33/43/970163343.db2.gz	MADOSDDQBHTCOK-HZPDHXFCSA-N	1	0	350.463	1.411	20	30		FDEDRO
O=C(C#Cc1ccc2c(c1)OCO2)NCC1CC[NH+](C2CCOCC2)CC1	ZINC000855200735	970205818	/nfs/dbraw/zinc/20/58/18/970205818.db2.gz	HVDSGGSQENURCI-UHFFFAOYSA-N	1	0	370.449	1.774	20	30		FDEDRO
C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cc(-c3ccccc3)on2)C1	ZINC001194527846	970233855	/nfs/dbraw/zinc/23/38/55/970233855.db2.gz	XMKLQMKHCZEDBP-IAGOWNOFSA-N	1	0	357.410	1.319	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([C@H]3CCCCO3)CCC2)C1	ZINC001194631642	970278015	/nfs/dbraw/zinc/27/80/15/970278015.db2.gz	GTQOOLJEJIPJFR-BRWVUGGUSA-N	1	0	352.475	1.090	20	30		FDEDRO
COC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1	ZINC000776808790	970325575	/nfs/dbraw/zinc/32/55/75/970325575.db2.gz	VKPPDHWGTGLWOU-DEYYWGMASA-N	1	0	352.479	1.886	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(C)cccc1C	ZINC001110461650	970425635	/nfs/dbraw/zinc/42/56/35/970425635.db2.gz	CHJPHTDJNRJVDO-QRQLOZEOSA-N	1	0	353.466	1.664	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc(CC)nn2C)C1	ZINC001194866271	970483311	/nfs/dbraw/zinc/48/33/11/970483311.db2.gz	YZMGETVVBYIOOE-QZTJIDSGSA-N	1	0	350.507	1.657	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](OC)C1CCCC1	ZINC001110465905	970669214	/nfs/dbraw/zinc/66/92/14/970669214.db2.gz	YUIQVMHMJXZPKC-ZJPYXAASSA-N	1	0	361.486	1.053	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCNC(=O)C(C)(C)C)C1	ZINC001195158371	970741127	/nfs/dbraw/zinc/74/11/27/970741127.db2.gz	VJTXFXKXABGHCF-IAGOWNOFSA-N	1	0	367.534	1.837	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCn1cncn1	ZINC001110495950	972542612	/nfs/dbraw/zinc/54/26/12/972542612.db2.gz	OURABTKEVVEERK-VXNCWWDNSA-N	1	0	361.490	1.497	20	30		FDEDRO
C#C[C@H]([NH2+][C@@H](C)C(=O)N(C)Cc1ccc(OC)c(OC)c1)[C@@H]1CCCO1	ZINC000775796877	972557019	/nfs/dbraw/zinc/55/70/19/972557019.db2.gz	AQHPWQRTWYDZCG-XIRDDKMYSA-N	1	0	360.454	1.821	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COC1CCOCC1	ZINC001110497265	972566519	/nfs/dbraw/zinc/56/65/19/972566519.db2.gz	RLXHXQSVAFALAU-JFRXWTBNSA-N	1	0	364.486	1.068	20	30		FDEDRO
CCCC[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC001114326988	972643885	/nfs/dbraw/zinc/64/38/85/972643885.db2.gz	GNKQWMQOJLPIEZ-IIAWOOMASA-N	1	0	360.462	1.154	20	30		FDEDRO
CCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1O	ZINC001198080615	972734929	/nfs/dbraw/zinc/73/49/29/972734929.db2.gz	GMFZNZFYPRNAOR-QZTJIDSGSA-N	1	0	363.502	1.797	20	30		FDEDRO
CCCCCCCCC(=O)N[C@@H]1CN([C@H]2CCN(CC)C2=O)C[C@H]1O	ZINC001198087509	972740808	/nfs/dbraw/zinc/74/08/08/972740808.db2.gz	DUNSKKHVRGNVIV-IXDOHACOSA-N	1	0	353.507	1.519	20	30		FDEDRO
COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000775817892	972751379	/nfs/dbraw/zinc/75/13/79/972751379.db2.gz	VCPDSJZYJMAPPX-PBHICJAKSA-N	1	0	358.442	1.631	20	30		FDEDRO
CC1(C)CO[C@@H](CCC(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@H]2O)C1	ZINC001198172478	972851992	/nfs/dbraw/zinc/85/19/92/972851992.db2.gz	ZIHVCOVZAJCWHH-IPMKNSEASA-N	1	0	371.481	1.815	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)OCc2ccc(F)cc2)C1	ZINC001198262228	972914744	/nfs/dbraw/zinc/91/47/44/972914744.db2.gz	NQMBWLWYICZELJ-BMGDILEWSA-N	1	0	350.434	1.858	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCCO3)C[C@H]2O)CCOCC1	ZINC001198238867	972926739	/nfs/dbraw/zinc/92/67/39/972926739.db2.gz	DEEPRMLVWUGRPQ-RCCFBDPRSA-N	1	0	366.502	1.480	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@H+](CCCOC(C)C)C[C@H]2O)CCOCC1	ZINC001198239855	972928355	/nfs/dbraw/zinc/92/83/55/972928355.db2.gz	USYGIZPSVZGFIN-IAGOWNOFSA-N	1	0	354.491	1.336	20	30		FDEDRO
COc1ccc(N2CCN(CC[NH2+]C[C@H](O)CC3(C#N)CC3)CC2)cc1	ZINC000863550996	973007512	/nfs/dbraw/zinc/00/75/12/973007512.db2.gz	HLCMYJSPRRXPJE-GOSISDBHSA-N	1	0	358.486	1.462	20	30		FDEDRO
CCN(CC[NH2+]C[C@H](O)CC1(C#N)CCOCC1)C(=O)OC(C)(C)C	ZINC000863552731	973009933	/nfs/dbraw/zinc/00/99/33/973009933.db2.gz	OSSJEJPLYBTNAF-OAHLLOKOSA-N	1	0	355.479	1.904	20	30		FDEDRO
CC1CCC2(CC1)OC[C@H](C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)O2	ZINC000863553832	973011059	/nfs/dbraw/zinc/01/10/59/973011059.db2.gz	KVSINVOSEWZDDQ-VIHIWDAPSA-N	1	0	352.475	1.969	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]C[C@@H](O)COc2cccc(F)c2)CCOCC1	ZINC000863559948	973016947	/nfs/dbraw/zinc/01/69/47/973016947.db2.gz	ZLYCLRFLDHLABC-HZPDHXFCSA-N	1	0	352.406	1.226	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2	ZINC000863572734	973025936	/nfs/dbraw/zinc/02/59/36/973025936.db2.gz	QBLAIXGLPNGGFB-CVEARBPZSA-N	1	0	366.506	1.714	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc3c(c2)OCCO3)C1	ZINC001198416641	973076443	/nfs/dbraw/zinc/07/64/43/973076443.db2.gz	KAFRCQXPNPVAHD-DJIMGWMZSA-N	1	0	360.454	1.516	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1	ZINC000645168668	1014092879	/nfs/dbraw/zinc/09/28/79/1014092879.db2.gz	PEGMPDLKKHDUSQ-LJQANCHMSA-N	1	0	372.513	1.581	20	30		FDEDRO
C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2sc(Cl)nc2Cl)C1	ZINC001198689196	973369314	/nfs/dbraw/zinc/36/93/14/973369314.db2.gz	MCRHIMDRHZMBFT-RKDXNWHRSA-N	1	0	366.270	1.427	20	30		FDEDRO
CCN(CC)c1ccc(/C=[NH+]\C[C@@]23COCCN2C(=O)COC3)c(O)c1	ZINC000864349445	973508838	/nfs/dbraw/zinc/50/88/38/973508838.db2.gz	YBIDMNLZMDETQW-LVWFPGDPSA-N	1	0	361.442	1.285	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)C(=O)c2ccsc2)C1	ZINC001198836361	973531267	/nfs/dbraw/zinc/53/12/67/973531267.db2.gz	UWOMUKCMVXCLEU-NUEKZKHPSA-N	1	0	365.499	1.336	20	30		FDEDRO
C=CCC[NH2+][C@@H](CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C)c1ccccc1OC	ZINC001198903148	973633828	/nfs/dbraw/zinc/63/38/28/973633828.db2.gz	VSHZNYMRCDGJPN-BBWFWOEESA-N	1	0	359.470	1.743	20	30		FDEDRO
C=CCC[NH2+][C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)c1ccccc1OC	ZINC001198902886	973634459	/nfs/dbraw/zinc/63/44/59/973634459.db2.gz	RASFEIJAUMDVBK-HYVNUMGLSA-N	1	0	361.442	1.051	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(Cn2nc(CC#N)n(C)c2=S)CC1	ZINC000794704340	973670506	/nfs/dbraw/zinc/67/05/06/973670506.db2.gz	GLAQKIXMLQVVAD-UHFFFAOYSA-N	1	0	359.459	1.200	20	30		FDEDRO
O=C(CCCn1cccc1)N[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1O	ZINC001198939677	973713250	/nfs/dbraw/zinc/71/32/50/973713250.db2.gz	CVNJSRNUKQGXMZ-WOJBJXKFSA-N	1	0	369.440	1.620	20	30		FDEDRO
C=C[C@H](C(=O)N[C@@H]1C[N@H+](CCc2cnn(CC)c2)C[C@H]1O)c1ccccc1	ZINC001198956189	973740541	/nfs/dbraw/zinc/74/05/41/973740541.db2.gz	RTFYPWVDOAEFEQ-XUVXKRRUSA-N	1	0	368.481	1.577	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ccccc3n2CC)C1	ZINC001198990909	973815239	/nfs/dbraw/zinc/81/52/39/973815239.db2.gz	WUVMMTMWILHNFE-VQIMIIECSA-N	1	0	357.454	1.639	20	30		FDEDRO
Cc1cccc(N2CC[NH+](CCCNC(=O)[C@@]3(C#N)CCCOC3)CC2)c1	ZINC000864841728	973880095	/nfs/dbraw/zinc/88/00/95/973880095.db2.gz	POEXAGMMMJJYLO-OAQYLSRUSA-N	1	0	370.497	1.944	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)cc1	ZINC001199071398	973891942	/nfs/dbraw/zinc/89/19/42/973891942.db2.gz	UULZUXAHMXCOCB-RTBURBONSA-N	1	0	356.470	1.096	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c(C)c(C)sc2=O)C1	ZINC001199071509	973891971	/nfs/dbraw/zinc/89/19/71/973891971.db2.gz	XQCQOUDPDYYBMX-KCPJHIHWSA-N	1	0	353.488	1.043	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)/C=C\CN1CCOCC1	ZINC000864910451	973941278	/nfs/dbraw/zinc/94/12/78/973941278.db2.gz	KFYBSZVGNYLJFD-ARJAWSKDSA-N	1	0	356.470	1.337	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1	ZINC000645264790	1014159788	/nfs/dbraw/zinc/15/97/88/1014159788.db2.gz	FUGQJUYMGPDJJB-SFHVURJKSA-N	1	0	359.470	1.217	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccc2c(C#N)c[nH]c2c1	ZINC000865106601	974097560	/nfs/dbraw/zinc/09/75/60/974097560.db2.gz	JKJWCLVPICECSK-GOSISDBHSA-N	1	0	367.453	1.712	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1CN(Cc2cnn(-c3ccccc3)c2)C[C@H]1O	ZINC001199311810	974151401	/nfs/dbraw/zinc/15/14/01/974151401.db2.gz	BYQQPLWBEHRMSA-RTBURBONSA-N	1	0	370.453	1.126	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ccc(OC)c(Cl)c2)C[C@H]1O	ZINC001199312281	974151522	/nfs/dbraw/zinc/15/15/22/974151522.db2.gz	DORJBLHMJJJZPO-DAXOMENPSA-N	1	0	368.861	1.601	20	30		FDEDRO
C=C(Cl)C[C@@H]1NC(=O)N(Cc2ccc(N3CC[NH+](C)CC3)nc2)C1=O	ZINC000865299073	974218663	/nfs/dbraw/zinc/21/86/63/974218663.db2.gz	ROHQAYVJUUWYEJ-AWEZNQCLSA-N	1	0	363.849	1.396	20	30		FDEDRO
COc1cc(Cl)c(C[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1OC	ZINC000865463145	974312054	/nfs/dbraw/zinc/31/20/54/974312054.db2.gz	XDQZLEDPTNYPFO-WUKNDPDISA-N	1	0	365.817	1.973	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+](CCCO[C@@H]3CCOC3)C[C@H]2O)CCCC1	ZINC001199567253	974372914	/nfs/dbraw/zinc/37/29/14/974372914.db2.gz	NSQUIEIJRLRFHZ-KZNAEPCWSA-N	1	0	366.502	1.480	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cccc3nsnc32)C1	ZINC001199583968	974406681	/nfs/dbraw/zinc/40/66/81/974406681.db2.gz	YBXYAZFKWZDRKV-APHBMKBZSA-N	1	0	360.483	1.750	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)C(CC)CC)C1	ZINC001199633667	974417746	/nfs/dbraw/zinc/41/77/46/974417746.db2.gz	KQKFYGPCGKZLDF-IAGOWNOFSA-N	1	0	355.523	1.671	20	30		FDEDRO
C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC[N@@H+]1C	ZINC000120744368	974490437	/nfs/dbraw/zinc/49/04/37/974490437.db2.gz	YFQCBXVSZJDFHZ-GXTWGEPZSA-N	1	0	362.405	1.608	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCc1cccs1	ZINC001110543410	974552258	/nfs/dbraw/zinc/55/22/58/974552258.db2.gz	QCIQITIOMYKVMW-RWQQGDIJSA-N	1	0	374.506	1.761	20	30		FDEDRO
CC(C)(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNC(=O)C(F)(F)F	ZINC001110543847	974564876	/nfs/dbraw/zinc/56/48/76/974564876.db2.gz	LHOXHPDONKJZAF-MCIONIFRSA-N	1	0	373.419	1.826	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2coc3c2C(=O)NCC(C)(C)C3)CC1	ZINC000866015464	974623102	/nfs/dbraw/zinc/62/31/02/974623102.db2.gz	PSEFKKWKUFEPBU-UHFFFAOYSA-N	1	0	357.454	1.809	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(F)c(C#N)c1	ZINC001110546299	974639224	/nfs/dbraw/zinc/63/92/24/974639224.db2.gz	SQNKJMVUEQRMQB-QVSURHGTSA-N	1	0	355.413	1.957	20	30		FDEDRO
N#Cc1cnn(-c2ncccn2)c1NC(=S)NCC[NH+]1CCCCC1	ZINC001200418027	974762664	/nfs/dbraw/zinc/76/26/64/974762664.db2.gz	AFZVUMKKNIQAMT-UHFFFAOYSA-N	1	0	356.459	1.306	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)N(CC)CC)CC1	ZINC001200628924	974848640	/nfs/dbraw/zinc/84/86/40/974848640.db2.gz	PKOITSJLEOUQRZ-SJORKVTESA-N	1	0	351.491	1.417	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)C[C@@H]2C[C@H]2c2ccccc2)CC1	ZINC001200606978	974859084	/nfs/dbraw/zinc/85/90/84/974859084.db2.gz	ZUXPJADMCSMLMP-KPFFTGBYSA-N	1	0	367.493	1.899	20	30		FDEDRO
C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)CCCO1	ZINC001200720639	974881151	/nfs/dbraw/zinc/88/11/51/974881151.db2.gz	BTXIKKPPBCASOM-KSZLIROESA-N	1	0	361.486	1.008	20	30		FDEDRO
C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1)NC(N)=O	ZINC001110557920	974920956	/nfs/dbraw/zinc/92/09/56/974920956.db2.gz	YLELCJBZBWSVCP-YYQUZTFQSA-N	1	0	355.442	1.227	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C1CCN(C(=O)[C@H]2OCC[C@H]2CC)CC1	ZINC001201125498	974968576	/nfs/dbraw/zinc/96/85/76/974968576.db2.gz	ZSGTYFLOWJTXGD-APWZRJJASA-N	1	0	363.502	1.583	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NCCN2CC[NH+](C(C)C)CC2)cc1C#N	ZINC001201330645	974997815	/nfs/dbraw/zinc/99/78/15/974997815.db2.gz	TYMGVECNWJLZFF-UHFFFAOYSA-N	1	0	350.488	1.171	20	30		FDEDRO
C=CCOCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccnc2)CCCO1	ZINC001201454100	975068022	/nfs/dbraw/zinc/06/80/22/975068022.db2.gz	JEMAOZISOFHTFB-GBESFXJTSA-N	1	0	359.470	1.595	20	30		FDEDRO
C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)CCCO1	ZINC001201611959	975097449	/nfs/dbraw/zinc/09/74/49/975097449.db2.gz	KXIVOOUAHZPNJB-FGTMMUONSA-N	1	0	362.474	1.071	20	30		FDEDRO
C#C[C@H](NC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1)[C@H]1CCCO1	ZINC000776229457	975210661	/nfs/dbraw/zinc/21/06/61/975210661.db2.gz	WNKCTIPOXYGTSD-RBUKOAKNSA-N	1	0	362.518	1.367	20	30		FDEDRO
C#C[C@H]1CCCN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000847266836	975397946	/nfs/dbraw/zinc/39/79/46/975397946.db2.gz	JMKSXKCBPHEUKZ-IBGZPJMESA-N	1	0	354.498	1.859	20	30		FDEDRO
CN1CC[NH+](C2CCN(c3ncc(Br)cc3C#N)CC2)CC1	ZINC000866213711	975492041	/nfs/dbraw/zinc/49/20/41/975492041.db2.gz	WQMAUJGLJVRYBW-UHFFFAOYSA-N	1	0	364.291	1.932	20	30		FDEDRO
N#Cc1cccnc1NCCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1	ZINC000847386710	975563955	/nfs/dbraw/zinc/56/39/55/975563955.db2.gz	GOOCBNSMDVRKNS-INIZCTEOSA-N	1	0	359.499	1.699	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@@]2(C#N)CCCOC2)CC1	ZINC000866413379	975623791	/nfs/dbraw/zinc/62/37/91/975623791.db2.gz	QBAVRSRQKICGJG-LJQANCHMSA-N	1	0	364.490	1.050	20	30		FDEDRO
CCN1CCC([NH+]2CCC(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2)CC1	ZINC000847483393	975707823	/nfs/dbraw/zinc/70/78/23/975707823.db2.gz	AHZNSTRSFCCJFM-HXUWFJFHSA-N	1	0	373.545	1.381	20	30		FDEDRO
N#CC1(c2ccccc2)CCC([NH2+]C[C@@]23COCCN2C(=O)COC3)CC1	ZINC000866553515	975780253	/nfs/dbraw/zinc/78/02/53/975780253.db2.gz	MZDMLDDIBLRUPL-MNLRITNHSA-N	1	0	369.465	1.608	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1	ZINC000866665977	975887726	/nfs/dbraw/zinc/88/77/26/975887726.db2.gz	JRLWOXCHHRKZOB-OTWHNJEPSA-N	1	0	357.454	1.991	20	30		FDEDRO
CN1CC[C@H](C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1=O	ZINC000847747978	976019175	/nfs/dbraw/zinc/01/91/75/976019175.db2.gz	VNKNPPYAHHYMGN-KRWDZBQOSA-N	1	0	355.438	1.814	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1	ZINC000866769938	976020660	/nfs/dbraw/zinc/02/06/60/976020660.db2.gz	RZRZGTQPSZIFOD-CVEARBPZSA-N	1	0	353.419	1.214	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1	ZINC000866771692	976022719	/nfs/dbraw/zinc/02/27/19/976022719.db2.gz	IPKZGPRCEQLFKT-WBVHZDCISA-N	1	0	367.446	1.604	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1	ZINC000866781972	976038954	/nfs/dbraw/zinc/03/89/54/976038954.db2.gz	XSUYPOQUGWPDDN-MRXNPFEDSA-N	1	0	367.446	1.477	20	30		FDEDRO
C[C@H](NS(=O)(=O)c1cccc(Br)c1C#N)C1CC[NH2+]CC1	ZINC000866812888	976088575	/nfs/dbraw/zinc/08/85/75/976088575.db2.gz	KFEQRKYSJZYMKT-JTQLQIEISA-N	1	0	372.288	1.987	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cc(C#N)ccc1C	ZINC000867581827	976421081	/nfs/dbraw/zinc/42/10/81/976421081.db2.gz	NLCDCRRRGUBRSY-UHFFFAOYSA-N	1	0	365.499	1.846	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	ZINC000848410962	976721672	/nfs/dbraw/zinc/72/16/72/976721672.db2.gz	LGTTZNUPYLUIFH-KRWDZBQOSA-N	1	0	362.449	1.814	20	30		FDEDRO
COC(=O)c1ccc2c(c1)[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)CCC2	ZINC000848534185	976893691	/nfs/dbraw/zinc/89/36/91/976893691.db2.gz	NRZXXJYGGFWFRI-VRTBNJGNSA-N	1	0	369.421	1.967	20	30		FDEDRO
Cc1cc(S(=O)(=O)N2CCC(N3CC[NH+](C)CC3)CC2)ccc1C#N	ZINC000867817374	976932482	/nfs/dbraw/zinc/93/24/82/976932482.db2.gz	ZWKMDFOHKTUYDM-UHFFFAOYSA-N	1	0	362.499	1.267	20	30		FDEDRO
CC(C)CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cccnc1C#N	ZINC000867864070	976999277	/nfs/dbraw/zinc/99/92/77/976999277.db2.gz	MWLGAAAIVJIQBA-UHFFFAOYSA-N	1	0	350.488	1.942	20	30		FDEDRO
COC(=O)[C@H](NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)c1cccs1	ZINC000867957713	977142175	/nfs/dbraw/zinc/14/21/75/977142175.db2.gz	WCOSLMIOCTUNNH-JKSUJKDBSA-N	1	0	355.419	1.837	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCOCC2(CCOCC2)C1	ZINC000867980089	977164510	/nfs/dbraw/zinc/16/45/10/977164510.db2.gz	SELDEOOODTZKNO-SFHVURJKSA-N	1	0	355.438	1.401	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccncc1	ZINC000848933572	977250945	/nfs/dbraw/zinc/25/09/45/977250945.db2.gz	OOJOITYSBDPONH-BZSNNMDCSA-N	1	0	356.470	1.948	20	30		FDEDRO
CCNC(NCCNS(=O)(=O)c1ccc(F)cc1Cl)=[NH+]CC	ZINC000848988337	977285970	/nfs/dbraw/zinc/28/59/70/977285970.db2.gz	AEXQUTDSIDLWLV-UHFFFAOYSA-N	1	0	350.847	1.332	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1	ZINC000848993603	977286910	/nfs/dbraw/zinc/28/69/10/977286910.db2.gz	QIHCETMBJNUBCB-ZIAGYGMSSA-N	1	0	350.429	1.852	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCC1(c2ccc(OC)cc2)CCC1	ZINC000849079756	977306165	/nfs/dbraw/zinc/30/61/65/977306165.db2.gz	LCHOMNQEIOGSNX-UHFFFAOYSA-N	1	0	360.502	1.614	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1cccc(-c2cccnc2)c1	ZINC000849087598	977309165	/nfs/dbraw/zinc/30/91/65/977309165.db2.gz	DSKOKXQDTOVASM-UHFFFAOYSA-N	1	0	353.470	1.746	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCOC(F)(F)F)=[NH+]C[C@H]2C1	ZINC000849090209	977309808	/nfs/dbraw/zinc/30/98/08/977309808.db2.gz	VQAPPNYENVWPHK-JTQLQIEISA-N	1	0	352.357	1.403	20	30		FDEDRO
Cc1ncc(CCNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)s1	ZINC000849105557	977317889	/nfs/dbraw/zinc/31/78/89/977317889.db2.gz	URCCTZKOXPQGMH-CYBMUJFWSA-N	1	0	365.503	1.875	20	30		FDEDRO
COCC[N@H+](C)CCNC(=O)NC1CCN(c2ccccc2C#N)CC1	ZINC000868217823	977355336	/nfs/dbraw/zinc/35/53/36/977355336.db2.gz	YNQMCAXCMCSSRQ-UHFFFAOYSA-N	1	0	359.474	1.404	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCc2ccnc(-n3cncn3)c2)CC1	ZINC000868221367	977359520	/nfs/dbraw/zinc/35/95/20/977359520.db2.gz	HAAGJBVJHUUCSQ-UHFFFAOYSA-N	1	0	355.446	1.502	20	30		FDEDRO
C=CCn1c2ncn(C[C@H](O)C[N@@H+](C)C(C)C)c(=O)c2sc1=S	ZINC000849323923	977427290	/nfs/dbraw/zinc/42/72/90/977427290.db2.gz	CJNXZECVKGPJDC-LLVKDONJSA-N	1	0	354.501	1.876	20	30		FDEDRO
CN1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H]3Cc4ccc(C#N)cc4C3)C2)CC1	ZINC000868290884	977456167	/nfs/dbraw/zinc/45/61/67/977456167.db2.gz	VIQSPFXXNATVDP-MOPGFXCFSA-N	1	0	367.497	1.493	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000868307208	977483478	/nfs/dbraw/zinc/48/34/78/977483478.db2.gz	SUBYWGMECHVGID-YOWGUQMCSA-N	1	0	359.401	1.423	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1	ZINC000868311956	977490758	/nfs/dbraw/zinc/49/07/58/977490758.db2.gz	HPRJZZNRWYQMQS-HXUWFJFHSA-N	1	0	357.454	1.861	20	30		FDEDRO
C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCO[C@H]1c1nccn1C	ZINC001114420181	977507562	/nfs/dbraw/zinc/50/75/62/977507562.db2.gz	DCPTXSSRNYYFBK-DFBDCSAJSA-N	1	0	358.486	1.900	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)NC1CCN(c2ccccc2C#N)CC1	ZINC000868357471	977525946	/nfs/dbraw/zinc/52/59/46/977525946.db2.gz	YEMFQNYZKBWODK-UHFFFAOYSA-N	1	0	373.501	1.795	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1	ZINC000868359536	977531782	/nfs/dbraw/zinc/53/17/82/977531782.db2.gz	PMJQECNMVJGRIT-HXUWFJFHSA-N	1	0	356.470	1.740	20	30		FDEDRO
CC1(C)CN(CCNC(=O)N2CCN(c3ccc(C#N)cc3)CC2)CCO1	ZINC000868369484	977549464	/nfs/dbraw/zinc/54/94/64/977549464.db2.gz	TYJIAZNGWUYTPL-UHFFFAOYSA-N	1	0	371.485	1.501	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccn(CCC#N)n2)[C@H](c2cnn(C)c2)C1	ZINC000849549601	977730948	/nfs/dbraw/zinc/73/09/48/977730948.db2.gz	UBTPKEQVGFRAGT-SJORKVTESA-N	1	0	369.473	1.983	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C	ZINC000868654301	977872232	/nfs/dbraw/zinc/87/22/32/977872232.db2.gz	YYHLXKWEOVKCLL-CABCVRRESA-N	1	0	352.479	1.639	20	30		FDEDRO
CCN(C(=O)C(=O)Nc1ccccc1O[C@H](C)C#N)[C@@H]1CC[N@H+](CC)C1	ZINC000850607825	978477973	/nfs/dbraw/zinc/47/79/73/978477973.db2.gz	RVNOBVIOQKUHBP-HUUCEWRRSA-N	1	0	358.442	1.859	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CCN1C1CC1	ZINC000850760300	978663538	/nfs/dbraw/zinc/66/35/38/978663538.db2.gz	XHMYYHIAXGUCSO-QZTJIDSGSA-N	1	0	355.442	1.552	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1C#N	ZINC000776496620	978693780	/nfs/dbraw/zinc/69/37/80/978693780.db2.gz	BDEGLFTVULOBGF-WBVHZDCISA-N	1	0	350.440	1.393	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(CC)C1CN(C(=O)[C@@H](CC)[NH+](C)C)C1	ZINC000967994659	1014530477	/nfs/dbraw/zinc/53/04/77/1014530477.db2.gz	IQMYWXGOUPXGJN-KSZLIROESA-N	1	0	365.518	1.757	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(c2ccc(C)nn2)CC1	ZINC001110629967	978875059	/nfs/dbraw/zinc/87/50/59/978875059.db2.gz	DEBNHAAHKGFIGH-SJLPKXTDSA-N	1	0	355.486	1.556	20	30		FDEDRO
COc1cc(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1C#N	ZINC000851636481	978980646	/nfs/dbraw/zinc/98/06/46/978980646.db2.gz	QVZBWPRYUHUTQQ-CQSZACIVSA-N	1	0	356.348	1.133	20	30		FDEDRO
C=CC[C@@H](NC(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1)c1ccncc1	ZINC000851656912	978986643	/nfs/dbraw/zinc/98/66/43/978986643.db2.gz	RXUHSMBPWLZULK-GOSISDBHSA-N	1	0	373.501	1.989	20	30		FDEDRO
N#Cc1c(F)cccc1N1CC[NH+](C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000851710395	979009983	/nfs/dbraw/zinc/00/99/83/979009983.db2.gz	LFKPWWXBCAMYMI-HXUWFJFHSA-N	1	0	368.412	1.192	20	30		FDEDRO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CC[C@@H](CF)C2)CC1	ZINC000880298781	979078310	/nfs/dbraw/zinc/07/83/10/979078310.db2.gz	JTQZNWPTJLCBIH-GJZGRUSLSA-N	1	0	350.463	1.748	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+](C)[C@H]2CCOC[C@@H]2OC)c(OC)c1	ZINC000880422448	979178264	/nfs/dbraw/zinc/17/82/64/979178264.db2.gz	BYHPQONQUGJSKD-UWVAXJGDSA-N	1	0	365.470	1.899	20	30		FDEDRO
CC[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)[C@H]1CCCOC1	ZINC000880470170	979215427	/nfs/dbraw/zinc/21/54/27/979215427.db2.gz	NRFPVWXFQJTIJS-OKZBNKHCSA-N	1	0	350.507	1.474	20	30		FDEDRO
C#CCC1(O)CC[NH+](CC(=O)N2CCc3cc(OC)c(OC)cc3C2)CC1	ZINC000880477035	979218462	/nfs/dbraw/zinc/21/84/62/979218462.db2.gz	AVDPKQHJKIJUMR-UHFFFAOYSA-N	1	0	372.465	1.439	20	30		FDEDRO
C#CCC1(O)CC[NH+]([C@@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)CC1	ZINC000880478996	979219445	/nfs/dbraw/zinc/21/94/45/979219445.db2.gz	JMJKBVADAXMFLU-INIZCTEOSA-N	1	0	374.481	1.601	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)nc1	ZINC000851982314	979243737	/nfs/dbraw/zinc/24/37/37/979243737.db2.gz	SEJQQIWPOCDTMR-KRWDZBQOSA-N	1	0	356.474	1.786	20	30		FDEDRO
CCCCCC[C@](O)(C[NH+]1CCN(c2ccc(C#N)nc2)CC1)C(=O)OC	ZINC000851999790	979259862	/nfs/dbraw/zinc/25/98/62/979259862.db2.gz	KBAGCFXRORWOLB-FQEVSTJZSA-N	1	0	374.485	1.950	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2ccc(Cl)c(C(=O)OC)n2)CC1	ZINC000852126724	979369142	/nfs/dbraw/zinc/36/91/42/979369142.db2.gz	GRQAPYRGNAVWNE-UHFFFAOYSA-N	1	0	366.849	1.971	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)CC1	ZINC000880656874	979375608	/nfs/dbraw/zinc/37/56/08/979375608.db2.gz	BTKNMGOKJIISIX-HXUWFJFHSA-N	1	0	369.513	1.623	20	30		FDEDRO
Cc1cc(F)c(C#N)cc1NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000880992583	979566243	/nfs/dbraw/zinc/56/62/43/979566243.db2.gz	VORPJAWGONZMRN-KRWDZBQOSA-N	1	0	373.432	1.776	20	30		FDEDRO
N#CCc1cccc(NC(=O)NCC2(N3CCOCC3)CCOCC2)n1	ZINC000881143560	979716620	/nfs/dbraw/zinc/71/66/20/979716620.db2.gz	BOEVTRIPDWASPD-UHFFFAOYSA-N	1	0	359.430	1.151	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(CC)C2CN(C(=O)[C@@H]3C[C@H]3CCC)C2)CC1	ZINC000968037677	1014599083	/nfs/dbraw/zinc/59/90/83/1014599083.db2.gz	BDLGNESCSRDHST-IEBWSBKVSA-N	1	0	359.514	1.827	20	30		FDEDRO
C[C@@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)CCN1c1cc[nH+]cc1	ZINC000881635200	980032881	/nfs/dbraw/zinc/03/28/81/980032881.db2.gz	IIPPNNDRCCXTFK-OAHLLOKOSA-N	1	0	363.421	1.420	20	30		FDEDRO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@@H]1CCc2cc(C#N)ccc21	ZINC000888912732	980689465	/nfs/dbraw/zinc/68/94/65/980689465.db2.gz	KKEVNMVJSKEEQY-CXAGYDPISA-N	1	0	355.442	1.307	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)cc1	ZINC000882632159	980768728	/nfs/dbraw/zinc/76/87/28/980768728.db2.gz	OGAIICZANQPULU-LJQANCHMSA-N	1	0	371.481	1.225	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1	ZINC000858144048	981861113	/nfs/dbraw/zinc/86/11/13/981861113.db2.gz	FDUJJGOJWMZRNT-KRWDZBQOSA-N	1	0	359.474	1.061	20	30		FDEDRO
C#CCCOc1ccc(C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)cc1	ZINC000858244605	981938640	/nfs/dbraw/zinc/93/86/40/981938640.db2.gz	XQQXSRGRVHXCQC-QGZVFWFLSA-N	1	0	362.437	1.895	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1	ZINC000883157264	981986485	/nfs/dbraw/zinc/98/64/85/981986485.db2.gz	SKTMHWMTNBLCJI-UHFFFAOYSA-N	1	0	356.470	1.606	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1	ZINC000883290827	982048872	/nfs/dbraw/zinc/04/88/72/982048872.db2.gz	JAUJMILMKJDSLH-UHFFFAOYSA-N	1	0	364.515	1.964	20	30		FDEDRO
C[C@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1ccc(OCC#N)cc1	ZINC000858465698	982065293	/nfs/dbraw/zinc/06/52/93/982065293.db2.gz	LEXYHUPEMHRDSZ-JXFKEZNVSA-N	1	0	359.470	1.855	20	30		FDEDRO
C=C(C)C[C@H](CO)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(=O)OCC	ZINC000883391399	982109858	/nfs/dbraw/zinc/10/98/58/982109858.db2.gz	JCUJWKYWZNFGAG-QLFBSQMISA-N	1	0	356.463	1.844	20	30		FDEDRO
C=CCCc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1	ZINC000883465130	982168234	/nfs/dbraw/zinc/16/82/34/982168234.db2.gz	HFMQCKLDBYAEGD-MRXNPFEDSA-N	1	0	365.499	1.281	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C2	ZINC001110754400	982237698	/nfs/dbraw/zinc/23/76/98/982237698.db2.gz	LIYCZJAVPNMEFA-ZJPYXAASSA-N	1	0	362.518	1.131	20	30		FDEDRO
CC[N@@H+]1CC[C@@H]1CNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N	ZINC000883614178	982310575	/nfs/dbraw/zinc/31/05/75/982310575.db2.gz	AWCCUOZRFLSONG-MCIONIFRSA-N	1	0	351.451	1.139	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1csc(NC(C)=O)n1)C2	ZINC001110761373	982387605	/nfs/dbraw/zinc/38/76/05/982387605.db2.gz	UCKAZNVEMBGGCD-NFAWXSAZSA-N	1	0	364.471	1.639	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCN(CCCOC(C)(C)C)CC1	ZINC000883713971	982410233	/nfs/dbraw/zinc/41/02/33/982410233.db2.gz	ZFEZOZARAXDONJ-UHFFFAOYSA-N	1	0	352.523	1.474	20	30		FDEDRO
CC(C)(C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)c1ccc(C#N)cc1	ZINC000859086993	982517901	/nfs/dbraw/zinc/51/79/01/982517901.db2.gz	SKIAVEOYRSJRDY-SFHVURJKSA-N	1	0	368.481	1.777	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@@H]1CN(C2CCCCC2)C(=O)O1	ZINC000828097758	982518004	/nfs/dbraw/zinc/51/80/04/982518004.db2.gz	BPRIQTCBNNNKRL-CQSZACIVSA-N	1	0	360.462	1.881	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)C(=O)NCC(C)C)CC1	ZINC001202559788	982558133	/nfs/dbraw/zinc/55/81/33/982558133.db2.gz	ODTNSPNGGJBTTR-UAGQMJEPSA-N	1	0	351.491	1.319	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)C(=O)NCCC(C)C)CC1	ZINC001202560053	982560100	/nfs/dbraw/zinc/56/01/00/982560100.db2.gz	ZMSKNQSCHGEICA-NXHRZFHOSA-N	1	0	365.518	1.709	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]CCOC[C@@H]2CCCO2)CC1	ZINC001202559958	982560227	/nfs/dbraw/zinc/56/02/27/982560227.db2.gz	VOBAAUWEROWNNB-KSZLIROESA-N	1	0	352.475	1.354	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1	ZINC000859140173	982570340	/nfs/dbraw/zinc/57/03/40/982570340.db2.gz	ZROLCKPWTXKFHZ-MSOLQXFVSA-N	1	0	357.454	1.775	20	30		FDEDRO
CC(C)(C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccc(C#N)cc1	ZINC000859184487	982604831	/nfs/dbraw/zinc/60/48/31/982604831.db2.gz	DACXRLJKWKDSKM-UHFFFAOYSA-N	1	0	368.481	1.602	20	30		FDEDRO
COC(=O)N1CCC([C@@H](C)[NH2+]C[C@H](O)CC2(C#N)CCOCC2)CC1	ZINC000859259246	982653361	/nfs/dbraw/zinc/65/33/61/982653361.db2.gz	GJEHDEGGQHJTLL-GDBMZVCRSA-N	1	0	353.463	1.514	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)C1	ZINC000884015855	982702206	/nfs/dbraw/zinc/70/22/06/982702206.db2.gz	GCKZTOIZNNXBCX-LLVKDONJSA-N	1	0	368.359	1.439	20	30		FDEDRO
CCCCCCCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000859341577	982726920	/nfs/dbraw/zinc/72/69/20/982726920.db2.gz	GVNGADWCVULOTJ-QGZVFWFLSA-N	1	0	353.507	1.644	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1	ZINC000958380817	1014874763	/nfs/dbraw/zinc/87/47/63/1014874763.db2.gz	IFXAPVGUYMSIQS-IIDMSEBBSA-N	1	0	356.470	1.527	20	30		FDEDRO
CCCCCCCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1	ZINC000859342069	982727600	/nfs/dbraw/zinc/72/76/00/982727600.db2.gz	NDKZXIJIEKGWKC-UHFFFAOYSA-N	1	0	362.474	1.825	20	30		FDEDRO
CC[NH+](CC)CCCOC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21	ZINC000800080006	982730076	/nfs/dbraw/zinc/73/00/76/982730076.db2.gz	NKSLKELALKYRCA-UHFFFAOYSA-N	1	0	367.471	1.390	20	30		FDEDRO
Cc1c(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c(=O)n(-c2ccccc2)n1C	ZINC000884044021	982746277	/nfs/dbraw/zinc/74/62/77/982746277.db2.gz	QUGYMBSVMSQUPS-CHWWFWEZSA-N	1	0	365.437	1.562	20	30		FDEDRO
COc1cc(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)ccc1N1CCCC1=O	ZINC000884064512	982804918	/nfs/dbraw/zinc/80/49/18/982804918.db2.gz	KLQROWKSWXEUEK-LQZXRHCMSA-N	1	0	368.437	1.900	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCCN(C(=O)CC3CCCC3)CC1)C2	ZINC000884071803	982818811	/nfs/dbraw/zinc/81/88/11/982818811.db2.gz	HRPRWNOXUMTTEV-WBTXTPOCSA-N	1	0	372.513	1.767	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCN(C(=O)c3cccc(F)c3)CC1)C2	ZINC000884071713	982819324	/nfs/dbraw/zinc/81/93/24/982819324.db2.gz	DFACSZCCXNCYFR-NGEICVOHSA-N	1	0	370.428	1.249	20	30		FDEDRO
C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884075679	982826108	/nfs/dbraw/zinc/82/61/08/982826108.db2.gz	HFHSRPWEIYEGSM-JWBFORJRSA-N	1	0	355.438	1.992	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1	ZINC000884098651	982863208	/nfs/dbraw/zinc/86/32/08/982863208.db2.gz	QGKPIZZIYDFRJC-UHFFFAOYSA-N	1	0	373.501	1.446	20	30		FDEDRO
CCN(Cc1ccccc1)C(=O)CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884103159	982869342	/nfs/dbraw/zinc/86/93/42/982869342.db2.gz	BLGGRYRKMZLTHY-OHTSDLOESA-N	1	0	354.454	1.291	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1	ZINC000859524830	982894296	/nfs/dbraw/zinc/89/42/96/982894296.db2.gz	KATHZTQRCVSTCL-GOSISDBHSA-N	1	0	353.466	1.753	20	30		FDEDRO
CC(C)Oc1cccc([C@@H](O)CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c1	ZINC000884144572	982925223	/nfs/dbraw/zinc/92/52/23/982925223.db2.gz	NWHRIMJWJVZHPN-OUBFZGACSA-N	1	0	357.454	1.763	20	30		FDEDRO
CN(C)C(=O)Nc1cccc(CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c1	ZINC000884153843	982932071	/nfs/dbraw/zinc/93/20/71/982932071.db2.gz	SZSUWZPJWVCKMT-XAUUPUKJSA-N	1	0	355.442	1.536	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@@H]1CN(Cc3ccccc3)CCO1)C2	ZINC000884177937	982950295	/nfs/dbraw/zinc/95/02/95/982950295.db2.gz	XNSCUUPZERFNSM-KYBDOYODSA-N	1	0	368.481	1.143	20	30		FDEDRO
Cc1ccccc1CN1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1	ZINC000884179140	982951595	/nfs/dbraw/zinc/95/15/95/982951595.db2.gz	GDVHRASDIDVKOJ-SCCNAQOGSA-N	1	0	352.482	1.779	20	30		FDEDRO
CN(Cc1ccccc1N1CCOCC1)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884180593	982953455	/nfs/dbraw/zinc/95/34/55/982953455.db2.gz	DHVKEBQDLKBDLS-WBTXTPOCSA-N	1	0	368.481	1.621	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1	ZINC000884189269	982965584	/nfs/dbraw/zinc/96/55/84/982965584.db2.gz	AVIGKSUBAZOWKY-ROUUACIJSA-N	1	0	359.470	1.776	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)CC1	ZINC000884199301	982974615	/nfs/dbraw/zinc/97/46/15/982974615.db2.gz	VWEMFJKXKRSCPK-QGZVFWFLSA-N	1	0	352.523	1.373	20	30		FDEDRO
Cn1c(CCNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)nc2cc(F)ccc21	ZINC000884217669	982992207	/nfs/dbraw/zinc/99/22/07/982992207.db2.gz	STVVGPHZQBMJJB-FWHMADFJSA-N	1	0	355.417	1.510	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCC1CCN(CC(F)(F)F)CC1)C2	ZINC000884231757	983005616	/nfs/dbraw/zinc/00/56/16/983005616.db2.gz	ZGHHLGNWDGXWDL-ISXOHVOVSA-N	1	0	372.435	1.906	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)C2Cc3ccccc3C2)CC1	ZINC000332310392	983032021	/nfs/dbraw/zinc/03/20/21/983032021.db2.gz	HORBUZWWSNAWCR-FQEVSTJZSA-N	1	0	354.498	1.778	20	30		FDEDRO
COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884307108	983071095	/nfs/dbraw/zinc/07/10/95/983071095.db2.gz	YRQBMDZTNQBMFZ-BQSYYEAHSA-N	1	0	369.465	1.964	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N(Cc1ccncc1)C[C@H]1CCCO1)C2	ZINC000884308371	983072799	/nfs/dbraw/zinc/07/27/99/983072799.db2.gz	NSDLROCZDKGHPL-SFANZJOMSA-N	1	0	354.454	1.729	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1	ZINC000884309124	983073548	/nfs/dbraw/zinc/07/35/48/983073548.db2.gz	MUMHXCINADXPTA-IBGZPJMESA-N	1	0	373.497	1.600	20	30		FDEDRO
CCOC(=O)[C@](C)(CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccccc1	ZINC000884333903	983093460	/nfs/dbraw/zinc/09/34/60/983093460.db2.gz	BKEIJFXRYILFJD-QMEXGPQWSA-N	1	0	369.465	1.763	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NCc2ccncc2OC[C@H]2CCOC2)C1	ZINC000884352606	983109810	/nfs/dbraw/zinc/10/98/10/983109810.db2.gz	LJSTUAWXRXQNRA-WMZOPIPTSA-N	1	0	372.469	1.394	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCCNC(=O)CCCc1ccccc1)C2	ZINC000884368504	983118464	/nfs/dbraw/zinc/11/84/64/983118464.db2.gz	AHOCOJYFDWDTDI-WBTXTPOCSA-N	1	0	368.481	1.381	20	30		FDEDRO
N#Cc1ccc(C2(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CCOCC2)cc1	ZINC000884439337	983155848	/nfs/dbraw/zinc/15/58/48/983155848.db2.gz	BSXYRPJBDMRKTI-KGXSXCIVSA-N	1	0	364.449	1.820	20	30		FDEDRO
CN(C)C(=O)NCCc1ccc(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc1	ZINC000884462010	983168851	/nfs/dbraw/zinc/16/88/51/983168851.db2.gz	STNOAPHERAMOKL-NGEICVOHSA-N	1	0	369.469	1.578	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)CC1	ZINC000302948189	1014919532	/nfs/dbraw/zinc/91/95/32/1014919532.db2.gz	DEFOYJNDQLMIMG-UHFFFAOYSA-N	1	0	359.514	1.973	20	30		FDEDRO
C=CCc1cc(OCC)cc(C[NH+]2CCC(O)(COCCO)CC2)c1O	ZINC000884476917	983180260	/nfs/dbraw/zinc/18/02/60/983180260.db2.gz	GCWHVAGQTLAHMW-UHFFFAOYSA-N	1	0	365.470	1.855	20	30		FDEDRO
C[C@H](C[N@H+](C)C[C@H](O)CC1(C#N)CCOCC1)NC(=O)OC(C)(C)C	ZINC000860100964	983235616	/nfs/dbraw/zinc/23/56/16/983235616.db2.gz	PTSXVSZPFLVUCV-HUUCEWRRSA-N	1	0	355.479	1.903	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)c(F)c1	ZINC000884585839	983261727	/nfs/dbraw/zinc/26/17/27/983261727.db2.gz	VMFKMTDNYCFFNF-UHFFFAOYSA-N	1	0	366.396	1.276	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)C2	ZINC001110783126	983292198	/nfs/dbraw/zinc/29/21/98/983292198.db2.gz	YGICCHKNDQTFMM-VQHPVUNQSA-N	1	0	354.516	1.889	20	30		FDEDRO
CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)CCc2c(C)nn(CCC#N)c2C)C1	ZINC000861339648	983690985	/nfs/dbraw/zinc/69/09/85/983690985.db2.gz	CLALFJMTWFZZPO-QFBILLFUSA-N	1	0	362.474	1.999	20	30		FDEDRO
C=C(CNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)c1ccccc1	ZINC000861633055	983797500	/nfs/dbraw/zinc/79/75/00/983797500.db2.gz	ZBLXATBFMPWDCP-MSOLQXFVSA-N	1	0	370.453	1.666	20	30		FDEDRO
CC[N@H+](CCNC(=O)C(=O)Nc1cc(OC)c(C#N)cc1F)C(C)C	ZINC000861751390	983899091	/nfs/dbraw/zinc/89/90/91/983899091.db2.gz	SCSOATNJYUVBQE-UHFFFAOYSA-N	1	0	350.394	1.491	20	30		FDEDRO
CCCCCCCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1	ZINC000861785992	983919987	/nfs/dbraw/zinc/91/99/87/983919987.db2.gz	OPSVMTJPBGCGJH-BBWFWOEESA-N	1	0	353.507	1.818	20	30		FDEDRO
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCC([NH+]2CCOCC2)CC1	ZINC000862217083	984257810	/nfs/dbraw/zinc/25/78/10/984257810.db2.gz	UVJLBQJMHVIIAP-IBGZPJMESA-N	1	0	365.474	1.571	20	30		FDEDRO
C[C@@H]([NH2+]C1CCN(CC#N)CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000862278048	984300117	/nfs/dbraw/zinc/30/01/17/984300117.db2.gz	QNUPDPSXAAFTIV-ZBFHGGJFSA-N	1	0	352.479	1.588	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1	ZINC000884778294	984779505	/nfs/dbraw/zinc/77/95/05/984779505.db2.gz	RQALADGXAFNTDT-GHMZBOCLSA-N	1	0	353.410	1.008	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)NC1CC[NH+]([C@H]3CCC[C@@H]3O)CC1)C2	ZINC000869188379	984932236	/nfs/dbraw/zinc/93/22/36/984932236.db2.gz	HNLOWLSDMPQRGW-AABGKKOBSA-N	1	0	368.481	1.702	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@@H](NC(=O)NC1CC[NH+](C[C@@H]3CCCO3)CC1)C2	ZINC000869190127	984933091	/nfs/dbraw/zinc/93/30/91/984933091.db2.gz	YRHRXFRURHOPCW-PMACEKPBSA-N	1	0	368.481	1.968	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)C2(C#N)CC3(CC3)C2)C1	ZINC000869615575	985223833	/nfs/dbraw/zinc/22/38/33/985223833.db2.gz	DHHKMNKCXPIKHI-HNNXBMFYSA-N	1	0	363.458	1.087	20	30		FDEDRO
C=CCCC1(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CCCC1	ZINC000885291651	985295080	/nfs/dbraw/zinc/29/50/80/985295080.db2.gz	MWNUGOWISMZANA-CQSZACIVSA-N	1	0	357.445	1.990	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)cc1	ZINC000885870082	985731609	/nfs/dbraw/zinc/73/16/09/985731609.db2.gz	YJPPZJAFCUZZAL-VQTJNVASSA-N	1	0	368.481	1.897	20	30		FDEDRO
C#CCSCC(=O)OCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1	ZINC000885896450	985772419	/nfs/dbraw/zinc/77/24/19/985772419.db2.gz	FZCYTCXLCHZRMT-UHFFFAOYSA-N	1	0	360.479	1.808	20	30		FDEDRO
N#CCCn1cc(C[NH2+][C@@H](CO)C[C@H]2CCCO2)c(-c2ccncc2)n1	ZINC000886223721	985980617	/nfs/dbraw/zinc/98/06/17/985980617.db2.gz	PLEZRTGLHKGBKY-QZTJIDSGSA-N	1	0	355.442	1.878	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CCC1	ZINC000886274681	986017947	/nfs/dbraw/zinc/01/79/47/986017947.db2.gz	YMXWZDJSYSGBFX-OKZBNKHCSA-N	1	0	367.449	1.548	20	30		FDEDRO
C#CCOCCN1CC[N@@H+](CCOCC#C)C[C@H]1Cc1ccc(F)cc1	ZINC000886379116	986118499	/nfs/dbraw/zinc/11/84/99/986118499.db2.gz	OHTXLOYOOXEMHD-OAQYLSRUSA-N	1	0	358.457	1.654	20	30		FDEDRO
C#CCN(C[C@H](O)C[N@@H+](C)CC)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886426494	986202499	/nfs/dbraw/zinc/20/24/99/986202499.db2.gz	ZULGHJKMJMLPSQ-QGZVFWFLSA-N	1	0	353.507	1.634	20	30		FDEDRO
C#CCN(C(=O)c1ccc(Br)[nH]c1=O)C1CC[NH+](C)CC1	ZINC000886571083	986371039	/nfs/dbraw/zinc/37/10/39/986371039.db2.gz	IHQSILHBLSNQKJ-UHFFFAOYSA-N	1	0	352.232	1.719	20	30		FDEDRO
O=C(C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000886576324	986377769	/nfs/dbraw/zinc/37/77/69/986377769.db2.gz	DBABKNHUOYSDLU-HYVNUMGLSA-N	1	0	366.383	1.876	20	30		FDEDRO
C#CCN(C(=O)c1nc(CC)n(-c2ccccc2)n1)C1CC[NH+](C)CC1	ZINC000886581474	986383104	/nfs/dbraw/zinc/38/31/04/986383104.db2.gz	YJEYPTBPZLVXHW-UHFFFAOYSA-N	1	0	351.454	1.999	20	30		FDEDRO
C#CCN(C(=O)C[C@H](NC(N)=O)c1cccc(C)c1)C1CC[NH+](C)CC1	ZINC000886585473	986391663	/nfs/dbraw/zinc/39/16/63/986391663.db2.gz	XMNQFTNFUMKMQA-SFHVURJKSA-N	1	0	356.470	1.651	20	30		FDEDRO
C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C2CCC2)CC1	ZINC000282965331	986505464	/nfs/dbraw/zinc/50/54/64/986505464.db2.gz	OMCNHXDFLZAJKJ-UHFFFAOYSA-N	1	0	358.490	1.765	20	30		FDEDRO
COc1cc(I)ccc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N	ZINC000870940615	986525802	/nfs/dbraw/zinc/52/58/02/986525802.db2.gz	LCVHYYKBIXOXJR-KCJUWKMLSA-N	1	0	371.178	1.141	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1COc2cccc(Br)c2C1	ZINC000871008173	986589459	/nfs/dbraw/zinc/58/94/59/986589459.db2.gz	PTQYIOOHPDRDAO-ZWNOBZJWSA-N	1	0	352.232	1.890	20	30		FDEDRO
N#Cc1cccc([C@@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C(F)(F)F)c1	ZINC000871020543	986595150	/nfs/dbraw/zinc/59/51/50/986595150.db2.gz	XOAOBSZGBOGPST-UKRRQHHQSA-N	1	0	368.359	1.536	20	30		FDEDRO
C=C(C)Cn1c(COC)nnc1N(CCOC)CC1CC[NH+](C)CC1	ZINC000871099291	986668811	/nfs/dbraw/zinc/66/88/11/986668811.db2.gz	PHEANVYNZZDYLM-UHFFFAOYSA-N	1	0	351.495	1.795	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3C)[C@@H](O)C2)C1	ZINC000968546762	1015266988	/nfs/dbraw/zinc/26/69/88/1015266988.db2.gz	DHSXVWRHIKFSLA-SJORKVTESA-N	1	0	368.437	1.301	20	30		FDEDRO
C[NH+](C)CC(C)(C)CNC(=S)N1CCN(c2ccc(C#N)nc2)CC1	ZINC000871678222	987193377	/nfs/dbraw/zinc/19/33/77/987193377.db2.gz	FWUKWLKFYIZVQK-UHFFFAOYSA-N	1	0	360.531	1.538	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1	ZINC000871813937	987266443	/nfs/dbraw/zinc/26/64/43/987266443.db2.gz	LWLRNTJSZVMBLV-WDEREUQCSA-N	1	0	363.361	1.325	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1Cl	ZINC000871814168	987266711	/nfs/dbraw/zinc/26/67/11/987266711.db2.gz	QFODAJHOWFONFU-GXSJLCMTSA-N	1	0	367.780	1.969	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1	ZINC000888596660	987519087	/nfs/dbraw/zinc/51/90/87/987519087.db2.gz	CDKUQSVOWHEOMR-QZTJIDSGSA-N	1	0	365.518	1.867	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CC3(CO2)CCOCC3)cc1	ZINC000872230522	987530219	/nfs/dbraw/zinc/53/02/19/987530219.db2.gz	DESYZAKAOIWPOA-PKOBYXMFSA-N	1	0	360.454	1.668	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c(C#N)c1	ZINC000872448183	987668139	/nfs/dbraw/zinc/66/81/39/987668139.db2.gz	BFVRXACTJSHLHK-KRWDZBQOSA-N	1	0	363.483	1.788	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2ccc(C)cc2C#N)C1	ZINC000872459324	987681515	/nfs/dbraw/zinc/68/15/15/987681515.db2.gz	RMPAQXBAGRZJLE-KRWDZBQOSA-N	1	0	365.499	1.988	20	30		FDEDRO
CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2ccc(C)cc2C#N)CC1	ZINC000872496196	987720973	/nfs/dbraw/zinc/72/09/73/987720973.db2.gz	WCKITGLVKDMIRR-UHFFFAOYSA-N	1	0	364.515	1.561	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1	ZINC000293159132	987978603	/nfs/dbraw/zinc/97/86/03/987978603.db2.gz	IHJWGODSHPSHHK-IBGZPJMESA-N	1	0	359.401	1.330	20	30		FDEDRO
C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)C2)C1	ZINC000293244410	988003236	/nfs/dbraw/zinc/00/32/36/988003236.db2.gz	OSYGHGPCISUUFM-HXUWFJFHSA-N	1	0	354.454	1.980	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N3CC[C@H]([NH+]4CC=CC4)C3)CC2)nc1	ZINC000360522119	988064352	/nfs/dbraw/zinc/06/43/52/988064352.db2.gz	FTALQKVMQRLEIG-SFHVURJKSA-N	1	0	366.469	1.578	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2	ZINC000293503838	988093396	/nfs/dbraw/zinc/09/33/96/988093396.db2.gz	XLMCSIDQFUHWCF-FQEVSTJZSA-N	1	0	373.428	1.721	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1	ZINC000872816683	988112150	/nfs/dbraw/zinc/11/21/50/988112150.db2.gz	MAHXLQZKWDEPRO-UHFFFAOYSA-N	1	0	365.518	1.666	20	30		FDEDRO
Cc1nc(C2CCN([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)n[nH]1	ZINC000360854812	988181185	/nfs/dbraw/zinc/18/11/85/988181185.db2.gz	ZXTMLVNQAGTMKV-QGZVFWFLSA-N	1	0	350.426	1.970	20	30		FDEDRO
C#C[C@H]1CC[C@H](NC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC1	ZINC000872870563	988210475	/nfs/dbraw/zinc/21/04/75/988210475.db2.gz	IRJPIZFPQZGDIT-RUCARUNLSA-N	1	0	370.497	1.969	20	30		FDEDRO
C#CCCN(CCOC)C(=O)C(=O)N1CCC(C)([NH+]2CCCCC2)CC1	ZINC000872968890	988353720	/nfs/dbraw/zinc/35/37/20/988353720.db2.gz	ZOAMEINMDLIOKS-UHFFFAOYSA-N	1	0	363.502	1.352	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCc2[nH]cnc2C1	ZINC000366114445	988425743	/nfs/dbraw/zinc/42/57/43/988425743.db2.gz	OJUXKMSIJZQGSP-KRWDZBQOSA-N	1	0	366.469	1.912	20	30		FDEDRO
C[N@H+](CCCCNC(=O)N1CCN(c2ccc(C#N)nc2)CC1)C1CC1	ZINC000873038721	988460841	/nfs/dbraw/zinc/46/08/41/988460841.db2.gz	RWETXDGEVDMJEO-UHFFFAOYSA-N	1	0	356.474	1.659	20	30		FDEDRO
C[NH+](C)CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc(C#N)cn1	ZINC000294598915	988490803	/nfs/dbraw/zinc/49/08/03/988490803.db2.gz	DDQLXFPPLYEXIP-UHFFFAOYSA-N	1	0	357.458	1.862	20	30		FDEDRO
CCc1ccc(C#CC(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1	ZINC000294821908	988544838	/nfs/dbraw/zinc/54/48/38/988544838.db2.gz	QMOICMAURDQWDN-UHFFFAOYSA-N	1	0	355.482	1.517	20	30		FDEDRO
CC(C)(C)c1csc(NC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1C#N	ZINC000873109227	988575298	/nfs/dbraw/zinc/57/52/98/988575298.db2.gz	HYEBGTYAUAXIME-BBATYDOGSA-N	1	0	360.483	1.924	20	30		FDEDRO
CC(C)C[N@@H+]1CCCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1	ZINC000362639760	988693635	/nfs/dbraw/zinc/69/36/35/988693635.db2.gz	MTDCQRIFQLYUSK-LJQANCHMSA-N	1	0	363.550	1.342	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCCC2)cc1C#N	ZINC000873685828	988989686	/nfs/dbraw/zinc/98/96/86/988989686.db2.gz	OJQIBIASZIYQAL-MRXNPFEDSA-N	1	0	358.442	1.742	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1C#N	ZINC000873694241	989005771	/nfs/dbraw/zinc/00/57/71/989005771.db2.gz	ZDMHVGZQVJNULD-CQSZACIVSA-N	1	0	358.442	1.742	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCN3CCOC[C@H]3C2)c(OC)c1	ZINC000368813306	989009643	/nfs/dbraw/zinc/00/96/43/989009643.db2.gz	FJTBXXBTRNGESO-MSOLQXFVSA-N	1	0	362.470	1.180	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)NCc1cccc(C(=O)N[C@@H](C)CC)c1	ZINC000296269235	989084875	/nfs/dbraw/zinc/08/48/75/989084875.db2.gz	MEUIBFBLRDIZQG-INIZCTEOSA-N	1	0	358.486	1.969	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)c(C)c2C(=O)OC)CC1	ZINC000873733668	989085593	/nfs/dbraw/zinc/08/55/93/989085593.db2.gz	BLCUCBKALISGLL-UHFFFAOYSA-N	1	0	373.453	1.795	20	30		FDEDRO
C#CCCCNC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(F)c1	ZINC000873736412	989090816	/nfs/dbraw/zinc/09/08/16/989090816.db2.gz	JLMIDFWEQUPFJR-UHFFFAOYSA-N	1	0	360.433	1.436	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1C#N	ZINC000873742382	989099254	/nfs/dbraw/zinc/09/92/54/989099254.db2.gz	DPHMRFOCUSSAEK-SJORKVTESA-N	1	0	370.453	1.979	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1C#N	ZINC000873771909	989152449	/nfs/dbraw/zinc/15/24/49/989152449.db2.gz	MFUHMABLONEPNP-UHFFFAOYSA-N	1	0	370.453	1.982	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1C#N	ZINC000873781092	989173043	/nfs/dbraw/zinc/17/30/43/989173043.db2.gz	UWCCBDIIFDHBGS-OAHLLOKOSA-N	1	0	370.453	1.696	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1	ZINC000296429635	989200059	/nfs/dbraw/zinc/20/00/59/989200059.db2.gz	ZWRFZCLZVWMBKY-OAHLLOKOSA-N	1	0	355.438	1.580	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)cc1C#N	ZINC000873801011	989220190	/nfs/dbraw/zinc/22/01/90/989220190.db2.gz	ZPCLAVOWMXDIEI-AWEZNQCLSA-N	1	0	358.442	1.886	20	30		FDEDRO
CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2ccc(OC)c(C#N)c2)CC1	ZINC000873818923	989252220	/nfs/dbraw/zinc/25/22/20/989252220.db2.gz	RDPKRRYZRRAHLF-UHFFFAOYSA-N	1	0	358.442	1.838	20	30		FDEDRO
CN(C)c1ccc(F)cc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000873819266	989252395	/nfs/dbraw/zinc/25/23/95/989252395.db2.gz	ARWPFDVDRWYEKM-UHFFFAOYSA-N	1	0	363.437	1.524	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)N1CCC[C@H]([NH+]2CCCCCC2)C1	ZINC000369935938	989321997	/nfs/dbraw/zinc/32/19/97/989321997.db2.gz	OLWVAHVKDAMMJS-JVMRMLDLSA-N	1	0	374.485	1.770	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1C#N	ZINC000873851146	989324910	/nfs/dbraw/zinc/32/49/10/989324910.db2.gz	HLDFZOLUKAAFJK-MRXNPFEDSA-N	1	0	356.426	1.638	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCC(C)(C)C2)cc1C#N	ZINC000873852301	989326953	/nfs/dbraw/zinc/32/69/53/989326953.db2.gz	FXGVQJRMFFDCJE-UHFFFAOYSA-N	1	0	358.442	1.744	20	30		FDEDRO
C=CCNC(=O)C[N@H+](Cc1ccc2c(c1)CCO2)C1CCN(C(C)=O)CC1	ZINC000363620619	989348004	/nfs/dbraw/zinc/34/80/04/989348004.db2.gz	PRMSVJFAJQOSLQ-UHFFFAOYSA-N	1	0	371.481	1.737	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CCN(c3ccccc3OC)C2)CC1	ZINC000363666610	989380065	/nfs/dbraw/zinc/38/00/65/989380065.db2.gz	PZJZHAKHAZHCIY-QGZVFWFLSA-N	1	0	355.482	1.983	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc2c1OC(C)(C)CC2=O	ZINC000873895893	989409405	/nfs/dbraw/zinc/40/94/05/989409405.db2.gz	GPBCRUNVKGNHLA-UHFFFAOYSA-N	1	0	371.437	1.440	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N(CCOC)Cc1ccc2c(c1)OCO2	ZINC000296798864	989418277	/nfs/dbraw/zinc/41/82/77/989418277.db2.gz	HZZLMJLIRUFBJO-UHFFFAOYSA-N	1	0	361.442	1.528	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)NCc3ccc(C#N)cc3)C2)CC1	ZINC000363919145	989460881	/nfs/dbraw/zinc/46/08/81/989460881.db2.gz	GRDOASYKJWBCKG-LJQANCHMSA-N	1	0	355.486	1.868	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCOC[C@H]1C[C@@H](O)c1ccccc1	ZINC000297322396	989513383	/nfs/dbraw/zinc/51/33/83/989513383.db2.gz	IXFREMWGXAUSOH-RTBURBONSA-N	1	0	359.470	1.476	20	30		FDEDRO
CN(C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[C@@H]1CCC[C@@H]1C#N	ZINC000874052255	989678255	/nfs/dbraw/zinc/67/82/55/989678255.db2.gz	DDSVMQZLHSZABO-NVXWUHKLSA-N	1	0	369.469	1.528	20	30		FDEDRO
C[C@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1	ZINC000370517357	989803208	/nfs/dbraw/zinc/80/32/08/989803208.db2.gz	IZBFPPNFKLOHLK-CYBMUJFWSA-N	1	0	359.430	1.254	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC000364820220	989812827	/nfs/dbraw/zinc/81/28/27/989812827.db2.gz	JJIMTNCQXFAFAS-LSDHHAIUSA-N	1	0	357.458	1.796	20	30		FDEDRO
C[N@@H+]1CCN(CCNc2nccc(C#N)c2[N+](=O)[O-])[C@@H](c2ccccc2)C1	ZINC000370531213	989817331	/nfs/dbraw/zinc/81/73/31/989817331.db2.gz	MTDVLZWXXMKUTR-QGZVFWFLSA-N	1	0	366.425	2.262	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1	ZINC000874171175	989863340	/nfs/dbraw/zinc/86/33/40/989863340.db2.gz	RAVOXWAHQZKYKP-DOTOQJQBSA-N	1	0	370.453	1.837	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1	ZINC000874172088	989868635	/nfs/dbraw/zinc/86/86/35/989868635.db2.gz	WWKIOBCADGSIPS-HOCLYGCPSA-N	1	0	356.426	1.448	20	30		FDEDRO
CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)CCN1C	ZINC000874179398	989899825	/nfs/dbraw/zinc/89/98/25/989899825.db2.gz	QYMZLJHAPCOHST-GOEBONIOSA-N	1	0	358.442	1.715	20	30		FDEDRO
C[C@@H]1CN(Cc2cnc3ccc(C#N)cn23)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000370705752	989941160	/nfs/dbraw/zinc/94/11/60/989941160.db2.gz	IVCBBPGXHYNJNK-VQIMIIECSA-N	1	0	352.486	1.664	20	30		FDEDRO
CCc1nc(CN2C[C@@H]3C[N@H+](CC(=O)N(CC)C[C@H](C)C#N)C[C@@H]3C2)no1	ZINC000370746147	989964641	/nfs/dbraw/zinc/96/46/41/989964641.db2.gz	YSFPPVGACPVWOP-OAGGEKHMSA-N	1	0	374.489	1.004	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1	ZINC000370759526	989972684	/nfs/dbraw/zinc/97/26/84/989972684.db2.gz	NFPFEDNPJPVHIP-VDZJLULYSA-N	1	0	357.454	1.943	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1	ZINC000298238650	989982276	/nfs/dbraw/zinc/98/22/76/989982276.db2.gz	IYDKSOHPFKUJHK-DFQSSKMNSA-N	1	0	373.497	1.686	20	30		FDEDRO
CON=C(C(=O)N(CC[NH+](C)C)Cc1ccccc1)c1csc(N)n1	ZINC000874246691	989983557	/nfs/dbraw/zinc/98/35/57/989983557.db2.gz	VQIBIHDYOBXGMO-UHFFFAOYSA-N	1	0	361.471	1.666	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)Cc1ccc(OCC#N)cc1	ZINC000370823629	990018640	/nfs/dbraw/zinc/01/86/40/990018640.db2.gz	JXHVDNJODSRMJL-BHIYHBOVSA-N	1	0	357.454	1.842	20	30		FDEDRO
C[C@H]([NH2+][C@H]1CCCN(c2ccncn2)C1)C(=O)Nc1cccc(C#N)c1	ZINC000370901058	990106962	/nfs/dbraw/zinc/10/69/62/990106962.db2.gz	VIJGKZDOQMWRKN-YOEHRIQHSA-N	1	0	350.426	1.934	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CCCN(c2ccncn2)C1)C(=O)Nc1cccc(C#N)c1	ZINC000370901057	990107614	/nfs/dbraw/zinc/10/76/14/990107614.db2.gz	VIJGKZDOQMWRKN-WMLDXEAASA-N	1	0	350.426	1.934	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1	ZINC000124991658	990249326	/nfs/dbraw/zinc/24/93/26/990249326.db2.gz	JKMUEMFTYJEQGU-KFWWJZLASA-N	1	0	364.490	1.811	20	30		FDEDRO
C[C@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000371269145	990327512	/nfs/dbraw/zinc/32/75/12/990327512.db2.gz	QVWWPFSVEMLQMS-WMZOPIPTSA-N	1	0	369.465	1.251	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1	ZINC000964584738	1015565289	/nfs/dbraw/zinc/56/52/89/1015565289.db2.gz	VOFSOJGERJIRDY-ATZDWAIDSA-N	1	0	368.481	1.514	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3F)C2)C1	ZINC000968717232	1015565582	/nfs/dbraw/zinc/56/55/82/1015565582.db2.gz	SFOBQAQISQJHNH-SRCQZFHVSA-N	1	0	358.417	1.303	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NCC1CC[NH+](Cc2ccccc2F)CC1	ZINC000371551159	990519002	/nfs/dbraw/zinc/51/90/02/990519002.db2.gz	DWMDUXKSSUCOIJ-UHFFFAOYSA-N	1	0	362.449	1.639	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1	ZINC000875039983	990776483	/nfs/dbraw/zinc/77/64/83/990776483.db2.gz	HQFNRXYPNQAIFP-LJQANCHMSA-N	1	0	371.481	1.230	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1	ZINC000875060076	990808647	/nfs/dbraw/zinc/80/86/47/990808647.db2.gz	KMZGKFMSVNXTGI-RTBURBONSA-N	1	0	371.481	1.484	20	30		FDEDRO
C=CCN(C(=O)Cn1cc([C@@H](C)O)nn1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000371974425	990868487	/nfs/dbraw/zinc/86/84/87/990868487.db2.gz	OUPFTISCHFUIOH-AEFFLSMTSA-N	1	0	369.469	1.621	20	30		FDEDRO
CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NCCNc1ncccc1C#N	ZINC000875149497	990966389	/nfs/dbraw/zinc/96/63/89/990966389.db2.gz	WSOQJWJNYAQREZ-UHFFFAOYSA-N	1	0	372.473	1.119	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1	ZINC000875204614	991072784	/nfs/dbraw/zinc/07/27/84/991072784.db2.gz	VFVODLRZKVLEEI-IRXDYDNUSA-N	1	0	357.454	1.420	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000875253419	991198813	/nfs/dbraw/zinc/19/88/13/991198813.db2.gz	VGPHAHDBUWKRDZ-MRXNPFEDSA-N	1	0	365.518	1.712	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)c1	ZINC000372579646	991239720	/nfs/dbraw/zinc/23/97/20/991239720.db2.gz	WXJLGWONAJSBMI-AEFFLSMTSA-N	1	0	355.438	1.224	20	30		FDEDRO
C[C@H]1C[NH+](CCC2CCN(CC(=O)NC3(C#N)CCC3)CC2)C[C@H](C)O1	ZINC000372610123	991268521	/nfs/dbraw/zinc/26/85/21/991268521.db2.gz	KYJAQGKGNKYJIH-IRXDYDNUSA-N	1	0	362.518	1.760	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1	ZINC000875306373	991290099	/nfs/dbraw/zinc/29/00/99/991290099.db2.gz	BHINWQSYIAFBTF-KZNAEPCWSA-N	1	0	357.454	1.093	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@@H]1CO	ZINC000372653604	991303842	/nfs/dbraw/zinc/30/38/42/991303842.db2.gz	KZDIZTWPRUZVTI-DLBZAZTESA-N	1	0	370.453	1.253	20	30		FDEDRO
CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)[C@]2(C#N)CCCOC2)cc1	ZINC000875325854	991322510	/nfs/dbraw/zinc/32/25/10/991322510.db2.gz	XKCOIRJHPDOHEZ-FQEVSTJZSA-N	1	0	373.453	1.984	20	30		FDEDRO
CN(C)c1cc[nH+]cc1C(=O)N1CCCN(c2ncccc2C#N)CC1	ZINC000372799000	991539879	/nfs/dbraw/zinc/53/98/79/991539879.db2.gz	HEVKWOYYZRZQLD-UHFFFAOYSA-N	1	0	350.426	1.767	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000875602007	991791384	/nfs/dbraw/zinc/79/13/84/991791384.db2.gz	XCJUSXRJEDRXJD-QXAKKESOSA-N	1	0	371.481	1.025	20	30		FDEDRO
COC(=O)[C@H]1CN([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC12CCC2	ZINC000373146391	991955451	/nfs/dbraw/zinc/95/54/51/991955451.db2.gz	WWWDNKFGBSZNFC-HZPDHXFCSA-N	1	0	367.405	1.465	20	30		FDEDRO
COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CCC(C#N)CC2)c1	ZINC000410877796	991968609	/nfs/dbraw/zinc/96/86/09/991968609.db2.gz	SSJVEZYNULUOHC-UHFFFAOYSA-N	1	0	372.469	1.348	20	30		FDEDRO
C#CCCN(CCOC)C(=O)NC[C@H]1CCN1Cc1ccc(OC)cc1	ZINC000875812086	992022936	/nfs/dbraw/zinc/02/29/36/992022936.db2.gz	QABAABHAFNFKMH-GOSISDBHSA-N	1	0	359.470	1.951	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1	ZINC000875919652	992192396	/nfs/dbraw/zinc/19/23/96/992192396.db2.gz	MXEIMLYIUDCCLW-XMTFNYHQSA-N	1	0	351.491	1.698	20	30		FDEDRO
N#CC[C@@H](CC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1	ZINC000373527740	992268962	/nfs/dbraw/zinc/26/89/62/992268962.db2.gz	IEYBWSLEPSQGTN-VQTJNVASSA-N	1	0	370.497	1.597	20	30		FDEDRO
Cc1ccc(NC(=O)C(=O)NCC(C)(C)CC#N)c(OCC[NH+](C)C)c1	ZINC000411647885	992537509	/nfs/dbraw/zinc/53/75/09/992537509.db2.gz	OAEOLLPPBYMEAA-UHFFFAOYSA-N	1	0	360.458	1.930	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1	ZINC000825873028	992582512	/nfs/dbraw/zinc/58/25/12/992582512.db2.gz	DPWUPCZAICHVKV-LJQANCHMSA-N	1	0	371.481	1.225	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1	ZINC000964925225	1015720502	/nfs/dbraw/zinc/72/05/02/1015720502.db2.gz	MBIASLGWCFSTGR-LNLFQRSKSA-N	1	0	363.502	1.561	20	30		FDEDRO
COC[C@]1(C[NH+](C)C)COCCN1C(=O)[C@@H](C)Oc1ccc(C#N)cc1	ZINC000876471219	992629375	/nfs/dbraw/zinc/62/93/75/992629375.db2.gz	LOWJFZATNGFEGH-DNVCBOLYSA-N	1	0	361.442	1.131	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@H](O)COc1ccccc1	ZINC000876602919	992733227	/nfs/dbraw/zinc/73/32/27/992733227.db2.gz	XLTNMHVOQMGTEG-QFBILLFUSA-N	1	0	351.406	1.301	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(C(=O)Cc2cccc(OC)c2)CC1	ZINC000876624881	992751246	/nfs/dbraw/zinc/75/12/46/992751246.db2.gz	RZHABDZURTWQHE-INIZCTEOSA-N	1	0	365.861	1.378	20	30		FDEDRO
CCN(CC)C(=O)C1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876628748	992755223	/nfs/dbraw/zinc/75/52/23/992755223.db2.gz	ULYGEAIBBPTBDQ-IBGZPJMESA-N	1	0	368.481	1.852	20	30		FDEDRO
CCCC(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876631750	992756556	/nfs/dbraw/zinc/75/65/56/992756556.db2.gz	FCEOQCMFZUPXBH-OXJNMPFZSA-N	1	0	368.481	1.900	20	30		FDEDRO
CC(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876633820	992758800	/nfs/dbraw/zinc/75/88/00/992758800.db2.gz	XYUZWTCGFOUKLY-QFBILLFUSA-N	1	0	368.481	1.756	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC(N2CCCC2=O)CC1	ZINC000876648187	992769042	/nfs/dbraw/zinc/76/90/42/992769042.db2.gz	XDATXPQDNZIPMC-LJQANCHMSA-N	1	0	352.438	1.358	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC[C@H](N2CCCCC2=O)C1	ZINC000876651795	992772495	/nfs/dbraw/zinc/77/24/95/992772495.db2.gz	ZXPZNRCVHAJNDC-PXNSSMCTSA-N	1	0	366.465	1.749	20	30		FDEDRO
COC(=O)[C@H](CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)c1ccccc1	ZINC000876685475	992794649	/nfs/dbraw/zinc/79/46/49/992794649.db2.gz	QYDMQYZBAIVBQV-RTBURBONSA-N	1	0	363.417	1.818	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCCC(=O)OCc1ccccc1	ZINC000876704565	992811019	/nfs/dbraw/zinc/81/10/19/992811019.db2.gz	CCQOGWYIZSQUFC-FQEVSTJZSA-N	1	0	363.417	1.995	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	ZINC000876732277	992846505	/nfs/dbraw/zinc/84/65/05/992846505.db2.gz	YUAMQNMIMOIJSI-OAHLLOKOSA-N	1	0	355.841	1.873	20	30		FDEDRO
CN(CC(F)F)C1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876775241	992899677	/nfs/dbraw/zinc/89/96/77/992899677.db2.gz	RRSOGNJCEZOZQP-GOSISDBHSA-N	1	0	362.424	1.933	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](c3nc(N(C)C)no3)C2)CC1	ZINC000374659230	992918982	/nfs/dbraw/zinc/91/89/82/992918982.db2.gz	ZHJKBSJCJFQVIJ-AWEZNQCLSA-N	1	0	362.478	1.675	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC[C@@H](Cn2ccnn2)C1	ZINC000876901168	992959719	/nfs/dbraw/zinc/95/97/19/992959719.db2.gz	ALOBWQVWHMTEKR-CRAIPNDOSA-N	1	0	350.426	1.275	20	30		FDEDRO
CN1N=C(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CCC1=O	ZINC000374880926	992962973	/nfs/dbraw/zinc/96/29/73/992962973.db2.gz	UUWVFYBNGNTBNQ-UHFFFAOYSA-N	1	0	353.426	1.269	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)s1	ZINC000876919404	992967041	/nfs/dbraw/zinc/96/70/41/992967041.db2.gz	VURAZBCLHZZGAE-OLZOCXBDSA-N	1	0	371.528	1.198	20	30		FDEDRO
C#CCNC(=O)c1ccc(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)nc1	ZINC000374932121	992968484	/nfs/dbraw/zinc/96/84/84/992968484.db2.gz	VJMNEXXMBBJVLC-UHFFFAOYSA-N	1	0	369.513	1.299	20	30		FDEDRO
COCC[C@H]1CCCC[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1	ZINC000375105458	992995413	/nfs/dbraw/zinc/99/54/13/992995413.db2.gz	MFUNHBDKQKXKOM-RTBURBONSA-N	1	0	364.534	1.817	20	30		FDEDRO
Cc1cc(N2CCC(C(=O)N3CCN(C)CC3)CC2)c(C#N)cc1[N+](=O)[O-]	ZINC000413052149	993062533	/nfs/dbraw/zinc/06/25/33/993062533.db2.gz	HEMMPMCOKNBIRX-UHFFFAOYSA-N	1	0	371.441	1.765	20	30		FDEDRO
C=C(Cl)C[C@@H](NC(=O)c1cn(C2CC[NH2+]CC2)nn1)C(=O)OCC	ZINC000877143764	993067778	/nfs/dbraw/zinc/06/77/78/993067778.db2.gz	BMVARRSLWZVJEX-GFCCVEGCSA-N	1	0	355.826	1.007	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+]C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C	ZINC000877194927	993097095	/nfs/dbraw/zinc/09/70/95/993097095.db2.gz	YABSSHQVSSQBTA-ZDUSSCGKSA-N	1	0	362.492	1.549	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CC[C@@](C(N)=O)(c3ccccc3)C2)CC1	ZINC000413235174	993176929	/nfs/dbraw/zinc/17/69/29/993176929.db2.gz	JFCLYFLGVOCURM-FQEVSTJZSA-N	1	0	356.470	1.475	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)[C@@]3(c4ccccc4)CC[NH2+]C3)CC2)cn1	ZINC000877297095	993193671	/nfs/dbraw/zinc/19/36/71/993193671.db2.gz	OAPSNUARTUTXRK-NRFANRHFSA-N	1	0	361.449	1.533	20	30		FDEDRO
C#CCCOc1ccc(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)cc1	ZINC000375518626	993209857	/nfs/dbraw/zinc/20/98/57/993209857.db2.gz	JQYCXQWCOYWVJP-MOPGFXCFSA-N	1	0	352.438	1.523	20	30		FDEDRO
COc1ccccc1[C@@H](CNC(=O)[C@H](C)n1cnc(C#N)n1)[NH+]1CCCC1	ZINC000466933059	993249801	/nfs/dbraw/zinc/24/98/01/993249801.db2.gz	FORGQCOPPSCBIB-GOEBONIOSA-N	1	0	368.441	1.673	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@@H](C)C(=O)NC1CC1	ZINC001095537768	993299334	/nfs/dbraw/zinc/29/93/34/993299334.db2.gz	IHNORVODMYFXPD-ORQFMDKSSA-N	1	0	356.470	1.676	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCCNC2=O)C3)c1	ZINC001095568976	993525549	/nfs/dbraw/zinc/52/55/49/993525549.db2.gz	BTYNYRARNJIZFN-BDXSIMOUSA-N	1	0	352.438	1.306	20	30		FDEDRO
CC(=O)[C@](C#N)(CC[NH+]1CCC(N2CCNC2=O)CC1)c1ccccc1	ZINC000877976033	993586027	/nfs/dbraw/zinc/58/60/27/993586027.db2.gz	KLORRFHECQJWQP-HXUWFJFHSA-N	1	0	354.454	1.917	20	30		FDEDRO
CC(=O)[C@@](C#N)(CC[N@@H+](C)C[C@@H](O)CN1CCOCC1)c1ccccc1	ZINC000878179824	993766807	/nfs/dbraw/zinc/76/68/07/993766807.db2.gz	QUABVUCVZAQZSR-UXHICEINSA-N	1	0	359.470	1.052	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCC(=O)NC2)C3)cc1	ZINC001095664894	993934313	/nfs/dbraw/zinc/93/43/13/993934313.db2.gz	NNAWDKXTVDJINU-MHORFTMASA-N	1	0	352.438	1.306	20	30		FDEDRO
C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccnn1CC	ZINC000968896403	1015818954	/nfs/dbraw/zinc/81/89/54/1015818954.db2.gz	PGIJRECREOBPFZ-ZHALLVOQSA-N	1	0	358.486	1.975	20	30		FDEDRO
C[C@@H]1C[NH+](C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C[C@@H](C)N1CC#N	ZINC000878772041	994214323	/nfs/dbraw/zinc/21/43/23/994214323.db2.gz	CYNCBLYNXOFDBU-IIDMSEBBSA-N	1	0	352.479	1.276	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C2CC3(CC(NC(=O)[C@H]4C[C@H]4C(N)=O)C3)C2)cc1	ZINC000965119740	1015846215	/nfs/dbraw/zinc/84/62/15/1015846215.db2.gz	GCNXQLHFJTZZSE-MIKZSQDASA-N	1	0	352.438	1.197	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H](CNC(=O)OC(C)(C)C)OC)CC1	ZINC000878927671	994356344	/nfs/dbraw/zinc/35/63/44/994356344.db2.gz	WWPXJYKTCZVJKW-HNNXBMFYSA-N	1	0	353.463	1.130	20	30		FDEDRO
Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2CCCOc2ccc(C#N)cc2)cn1	ZINC000879190314	994615924	/nfs/dbraw/zinc/61/59/24/994615924.db2.gz	MOMQKZBMYFMCNS-GOSISDBHSA-N	1	0	367.453	1.955	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](CO)[C@H]2CO)cc1Cl	ZINC000879362749	994830633	/nfs/dbraw/zinc/83/06/33/994830633.db2.gz	IIAYFKPCVJGUCW-XJKSGUPXSA-N	1	0	351.834	1.605	20	30		FDEDRO
C=CCCC[C@@H]1NC(=O)N(CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1=O	ZINC000924572807	994842057	/nfs/dbraw/zinc/84/20/57/994842057.db2.gz	FJDJNJMVIKTIBL-LSDHHAIUSA-N	1	0	350.463	1.206	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)CC[C@H]21	ZINC000879578745	995037324	/nfs/dbraw/zinc/03/73/24/995037324.db2.gz	VSGPSTYALPETQW-CRAIPNDOSA-N	1	0	364.453	1.708	20	30		FDEDRO
CN1CC[NH+](C2CCN([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)CC1	ZINC000879592506	995061469	/nfs/dbraw/zinc/06/14/69/995061469.db2.gz	MJADLUUXXPXITM-FQEVSTJZSA-N	1	0	367.497	1.375	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccnn1C	ZINC000879685454	995173637	/nfs/dbraw/zinc/17/36/37/995173637.db2.gz	HGLDSPSFGXKIKJ-HOCLYGCPSA-N	1	0	372.498	1.541	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCC2(C)CCN(c3nccnc3C#N)CC2)CC[N@@H+]1C	ZINC001110898062	995223159	/nfs/dbraw/zinc/22/31/59/995223159.db2.gz	MQJKPBRJWXVXBY-HUUCEWRRSA-N	1	0	356.474	1.411	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@]2(C)C1	ZINC000880027000	995561941	/nfs/dbraw/zinc/56/19/41/995561941.db2.gz	RPOGTVGJLAYKTP-BEFAXECRSA-N	1	0	364.490	1.937	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)CN2CCC[C@H]([NH2+]C3CCOCC3)C2)cc1	ZINC000880206849	995721239	/nfs/dbraw/zinc/72/12/39/995721239.db2.gz	LGIXIIMDKTZQQI-PMACEKPBSA-N	1	0	373.497	1.725	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)CCOCC1	ZINC000926142297	995934603	/nfs/dbraw/zinc/93/46/03/995934603.db2.gz	KOBJPOMSGDXNGU-VIPLHTEESA-N	1	0	350.503	1.955	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ncc(C#N)cc1Cl)C2	ZINC000926168897	995954387	/nfs/dbraw/zinc/95/43/87/995954387.db2.gz	HTRASCPKBPNOFA-AHEZYBDSSA-N	1	0	362.861	1.816	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC(N)=O)cc1	ZINC000926344760	996072566	/nfs/dbraw/zinc/07/25/66/996072566.db2.gz	XXABLVWZAQHXLJ-JOQOYGCGSA-N	1	0	366.483	1.577	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC(N)=O)cc1	ZINC000926611609	996237425	/nfs/dbraw/zinc/23/74/25/996237425.db2.gz	OBISOYNDBTXYKO-NOLJZWGESA-N	1	0	352.456	1.187	20	30		FDEDRO
N#Cc1cccc(CN2CCC([NH2+][C@H]3C(=O)NCC34CCOCC4)CC2)c1	ZINC000926662415	996260707	/nfs/dbraw/zinc/26/07/07/996260707.db2.gz	QKMYZPSOGAQGQY-IBGZPJMESA-N	1	0	368.481	1.407	20	30		FDEDRO
CCO[C@@H](CNC(=O)N1CCN(c2ccccc2C#N)CC1)C[NH+](C)C	ZINC000926833222	996330029	/nfs/dbraw/zinc/33/00/29/996330029.db2.gz	NXEMJSLNGGNSFI-KRWDZBQOSA-N	1	0	359.474	1.357	20	30		FDEDRO
CCN(C(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[C@@H]1CC[NH2+]C1	ZINC000887066834	996900322	/nfs/dbraw/zinc/90/03/22/996900322.db2.gz	UQWZDEISGFOASN-MRXNPFEDSA-N	1	0	370.453	1.138	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCc2ccc(CO)c(F)c2)CC1	ZINC000264068186	997394098	/nfs/dbraw/zinc/39/40/98/997394098.db2.gz	CABMYXCYAXHALA-UHFFFAOYSA-N	1	0	366.437	1.685	20	30		FDEDRO
CC[C@@H](C)NC(=[NH2+])NCc1ccccc1OCC(=O)NC[C@H]1CCCO1	ZINC000264068784	997395777	/nfs/dbraw/zinc/39/57/77/997395777.db2.gz	CNUPBUXMUPCPIJ-GDBMZVCRSA-N	1	0	362.474	1.563	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2cccc(OC)c2OC)CC1	ZINC000264083281	997398396	/nfs/dbraw/zinc/39/83/96/997398396.db2.gz	JAJMENIZQOPARH-UHFFFAOYSA-N	1	0	364.446	1.729	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCN2c3ccccc3CC2=O)CC1	ZINC000264084723	997399868	/nfs/dbraw/zinc/39/98/68/997399868.db2.gz	IWEXKZLVDXLDOV-UHFFFAOYSA-N	1	0	373.457	1.101	20	30		FDEDRO
COC(=O)N(C)CCCC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000264133757	997409745	/nfs/dbraw/zinc/40/97/45/997409745.db2.gz	FCTMFHJFBGGVPX-UHFFFAOYSA-N	1	0	360.458	1.927	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCc2cn3c(n2)CCCC3)CC1	ZINC000264284722	997448305	/nfs/dbraw/zinc/44/83/05/997448305.db2.gz	OKBZTHDKTBZEHW-UHFFFAOYSA-N	1	0	362.478	1.587	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2ccc(OCC(N)=O)c(OC)c2)CC1	ZINC000264449500	997515116	/nfs/dbraw/zinc/51/51/16/997515116.db2.gz	CILGJYYRABTASS-UHFFFAOYSA-N	1	0	361.442	1.330	20	30		FDEDRO
N#CCOc1ccc(CC(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1	ZINC000264628357	997558743	/nfs/dbraw/zinc/55/87/43/997558743.db2.gz	APZIVMINFCHVJA-UHFFFAOYSA-N	1	0	357.454	1.893	20	30		FDEDRO
C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000265412941	997783780	/nfs/dbraw/zinc/78/37/80/997783780.db2.gz	NKPMLVICIOORBV-DVSFIDLUSA-N	1	0	370.453	1.192	20	30		FDEDRO
C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)N1CCC(C#N)CC1	ZINC000265467455	997793160	/nfs/dbraw/zinc/79/31/60/997793160.db2.gz	ZXAPLZFOIXIYBX-INIZCTEOSA-N	1	0	356.474	1.537	20	30		FDEDRO
Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC#Cc2cccc(Cl)c2)nn1	ZINC001095380747	997990680	/nfs/dbraw/zinc/99/06/80/997990680.db2.gz	WKZVVIHUARMDTH-RYRKJORJSA-N	1	0	369.856	1.855	20	30		FDEDRO
COc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cn(C)nn2)C3)cc1C#N	ZINC001095380306	997999388	/nfs/dbraw/zinc/99/93/88/997999388.db2.gz	AKWXOKUHLHHXDL-VYDXJSESSA-N	1	0	366.425	1.231	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cnc1C(F)(F)F	ZINC000889749211	998585439	/nfs/dbraw/zinc/58/54/39/998585439.db2.gz	GDHBLECOLZVSRZ-KGLIPLIRSA-N	1	0	368.359	1.643	20	30		FDEDRO
C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)Nc2cccc(CC#N)n2)C1	ZINC000889799253	998668252	/nfs/dbraw/zinc/66/82/52/998668252.db2.gz	NRXPGTNAHQPIEC-HNNXBMFYSA-N	1	0	357.458	1.714	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C2CC2)c(C#N)c1	ZINC000889803837	998672167	/nfs/dbraw/zinc/67/21/67/998672167.db2.gz	XKPLHUPQQWSERJ-UHFFFAOYSA-N	1	0	358.442	1.459	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C2CC2)c(C#N)c1	ZINC000889938158	998735904	/nfs/dbraw/zinc/73/59/04/998735904.db2.gz	XBENENSNGLGQHW-KRWDZBQOSA-N	1	0	370.453	1.601	20	30		FDEDRO
C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000890137361	998835058	/nfs/dbraw/zinc/83/50/58/998835058.db2.gz	DGPNWRYDHPMRAC-YJBOKZPZSA-N	1	0	369.469	1.528	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1	ZINC000890363095	998913888	/nfs/dbraw/zinc/91/38/88/998913888.db2.gz	KICWQPLQKKJRRE-UXHICEINSA-N	1	0	370.497	1.150	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(C4CC4)c(C#N)c3)CC[C@H]21	ZINC000890429197	998939344	/nfs/dbraw/zinc/93/93/44/998939344.db2.gz	CYGHNXALDVTGNF-RDTXWAMCSA-N	1	0	352.438	1.927	20	30		FDEDRO
Cc1nsc(NC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)c1C#N	ZINC001066686334	999014212	/nfs/dbraw/zinc/01/42/12/999014212.db2.gz	NPZLVZABEZNZRK-MGPQQGTHSA-N	1	0	363.487	1.303	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2	ZINC001110862346	999069808	/nfs/dbraw/zinc/06/98/08/999069808.db2.gz	LFOPRRLQBIYKMV-MLHJIOFPSA-N	1	0	374.529	1.110	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC(C)C	ZINC001110863402	999072290	/nfs/dbraw/zinc/07/22/90/999072290.db2.gz	HRRJCBWZQDPCCE-WWNBULGVSA-N	1	0	365.518	1.709	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O)C2	ZINC001110874634	999093464	/nfs/dbraw/zinc/09/34/64/999093464.db2.gz	UATSXYOIHUUTSV-BMFZPTHFSA-N	1	0	360.458	1.817	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NC[C@@H]2CCc3nnc(C)n3C2)cc1OC	ZINC000267405053	999327211	/nfs/dbraw/zinc/32/72/11/999327211.db2.gz	GSMMUWYSEGWILY-AWEZNQCLSA-N	1	0	358.446	1.271	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NC[C@H](CC[NH+](C)C)OCC)c1	ZINC000267879386	999409331	/nfs/dbraw/zinc/40/93/31/999409331.db2.gz	GDOGMQAGYWAXAM-KRWDZBQOSA-N	1	0	361.442	1.110	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000269011038	999462339	/nfs/dbraw/zinc/46/23/39/999462339.db2.gz	LIXLFDRXAHEWHI-RBUKOAKNSA-N	1	0	371.481	1.876	20	30		FDEDRO
CCc1nnc(CON=C(N)c2ccccc2C[NH+]2CCC(O)CC2)o1	ZINC000269385817	999466986	/nfs/dbraw/zinc/46/69/86/999466986.db2.gz	AUINZMJOJRCFCB-UHFFFAOYSA-N	1	0	359.430	1.426	20	30		FDEDRO
CCOCCC[NH+]=C(NCc1ccc(OC)cc1)NCC1(CO)COC1	ZINC000269501482	999469127	/nfs/dbraw/zinc/46/91/27/999469127.db2.gz	XHZLYTOQXNBIFM-UHFFFAOYSA-N	1	0	365.474	1.166	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCc2cccc(N(C)C)n2)cc1OC	ZINC000269991816	999496299	/nfs/dbraw/zinc/49/62/99/999496299.db2.gz	UZDLBLNMCOPSIZ-UHFFFAOYSA-N	1	0	357.458	1.812	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000270199806	999525378	/nfs/dbraw/zinc/52/53/78/999525378.db2.gz	OVIKYMDKWXJVBI-UHFFFAOYSA-N	1	0	366.421	1.631	20	30		FDEDRO
CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)Cc1ccc(OCC#N)cc1	ZINC000273877991	999730952	/nfs/dbraw/zinc/73/09/52/999730952.db2.gz	RUEVLWXPMMXRPF-QGZVFWFLSA-N	1	0	360.458	1.571	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(OC)c(OC)c2)CC1	ZINC000283450685	999754367	/nfs/dbraw/zinc/75/43/67/999754367.db2.gz	VWCAOVZLKIFFRI-UHFFFAOYSA-N	1	0	361.442	1.087	20	30		FDEDRO
C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CCOC(C)C)CC1	ZINC000283494453	999756093	/nfs/dbraw/zinc/75/60/93/999756093.db2.gz	DDPAGEBRIWWRLY-UHFFFAOYSA-N	1	0	373.505	1.802	20	30		FDEDRO
CC(=O)NC(C)(C)C(N)=NOC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000283581610	999757503	/nfs/dbraw/zinc/75/75/03/999757503.db2.gz	RDIQNXIFYLTXON-KRWDZBQOSA-N	1	0	362.474	1.481	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1	ZINC000283994690	999765282	/nfs/dbraw/zinc/76/52/82/999765282.db2.gz	MSEGIMDQDHRQRA-UHFFFAOYSA-N	1	0	354.454	1.651	20	30		FDEDRO
C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NCc1cccc(C#N)c1	ZINC000283994645	999765321	/nfs/dbraw/zinc/76/53/21/999765321.db2.gz	MRZMANYOGBJYNM-LJQANCHMSA-N	1	0	364.449	1.464	20	30		FDEDRO
C=CCc1cc(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)cc(OC)c1OC	ZINC000283997035	999766421	/nfs/dbraw/zinc/76/64/21/999766421.db2.gz	IDDWIPDOEZSGFJ-IRXDYDNUSA-N	1	0	360.454	1.977	20	30		FDEDRO
C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1	ZINC000284835498	999871465	/nfs/dbraw/zinc/87/14/65/999871465.db2.gz	PFKOJUGRWISTMX-NBYUQASBSA-N	1	0	360.454	1.550	20	30		FDEDRO
C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1	ZINC000284891148	999879137	/nfs/dbraw/zinc/87/91/37/999879137.db2.gz	SMWQHASTAKLJSZ-HBFSDRIKSA-N	1	0	357.454	1.426	20	30		FDEDRO
CCc1ccc([C@H](O)CNC(=[NH2+])N2CCN(c3ncccn3)CC2)cc1	ZINC000284918641	999882483	/nfs/dbraw/zinc/88/24/83/999882483.db2.gz	BQKAMTIUWRESJU-QGZVFWFLSA-N	1	0	354.458	1.209	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000284937512	999885131	/nfs/dbraw/zinc/88/51/31/999885131.db2.gz	DRALCVSGCPBBKB-SFHVURJKSA-N	1	0	368.481	1.896	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(CC(=O)Nc2cccc(C#N)c2)CC1	ZINC000285604911	999916691	/nfs/dbraw/zinc/91/66/91/999916691.db2.gz	WXURAOGEWDLLJM-UHFFFAOYSA-N	1	0	374.485	1.556	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCOCc2ccccc2)CC1	ZINC000285977108	999927980	/nfs/dbraw/zinc/92/79/80/999927980.db2.gz	BQJCMIRQSJGQTQ-UHFFFAOYSA-N	1	0	359.470	1.476	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CCC([NH+](CCOC)CCOC)CC2)cc1	ZINC000286275940	999943370	/nfs/dbraw/zinc/94/33/70/999943370.db2.gz	OPXKVDLHGVZMKD-UHFFFAOYSA-N	1	0	374.481	1.898	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NCCCCC#N	ZINC000286368595	999943957	/nfs/dbraw/zinc/94/39/57/999943957.db2.gz	CWDBETKSTMGWDZ-KRWDZBQOSA-N	1	0	356.470	1.919	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccc3c(c2)OCO3)CC1	ZINC000286497612	999944903	/nfs/dbraw/zinc/94/49/03/999944903.db2.gz	KFZFXUHIZOMELR-UHFFFAOYSA-N	1	0	359.426	1.140	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(CCCO)Cc2ccccc2)CC1	ZINC000286658451	999945786	/nfs/dbraw/zinc/94/57/86/999945786.db2.gz	NSXKBBWKIVWSGA-UHFFFAOYSA-N	1	0	359.470	1.164	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1	ZINC000286730596	999947727	/nfs/dbraw/zinc/94/77/27/999947727.db2.gz	QCNWDTJBIXRZSY-HKUYNNGSSA-N	1	0	373.497	1.865	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2c2cccn2C)CC1	ZINC000286758844	999949408	/nfs/dbraw/zinc/94/94/08/999949408.db2.gz	TZGQYSMJXZVQMA-GOSISDBHSA-N	1	0	358.486	1.845	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCN(C)c3ccccc3C2)CC1	ZINC000286853361	999952919	/nfs/dbraw/zinc/95/29/19/999952919.db2.gz	ZBBPNWLMORQQOS-UHFFFAOYSA-N	1	0	356.470	1.232	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NCC1([NH+](C)C)CCC1	ZINC000287537267	999958429	/nfs/dbraw/zinc/95/84/29/999958429.db2.gz	CEXNYAQQFGDULM-UHFFFAOYSA-N	1	0	359.470	1.810	20	30		FDEDRO
Cc1cccc(CN(CC[NH+](C)C)C(=O)NCCn2cnc(C#N)n2)c1	ZINC000287879594	999968913	/nfs/dbraw/zinc/96/89/13/999968913.db2.gz	OCAODEZYSGLUGS-UHFFFAOYSA-N	1	0	355.446	1.232	20	30		FDEDRO
C[C@@H](C[NH+](C)C)NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000287925385	999973056	/nfs/dbraw/zinc/97/30/56/999973056.db2.gz	DHAHZSUCVKWOFQ-AWEZNQCLSA-N	1	0	357.458	1.868	20	30		FDEDRO
C#CCC(CC#C)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1	ZINC000288733583	1000041704	/nfs/dbraw/zinc/04/17/04/1000041704.db2.gz	BDUMHLZZTMYQJF-UHFFFAOYSA-N	1	0	351.494	1.925	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000289446723	1000099393	/nfs/dbraw/zinc/09/93/93/1000099393.db2.gz	SRBKNONTQZGJEF-GOSISDBHSA-N	1	0	359.470	1.428	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(c3snc(C)c3C#N)CC2)CC1	ZINC000290641006	1000150133	/nfs/dbraw/zinc/15/01/33/1000150133.db2.gz	DSWYHRIYKSXFFR-UHFFFAOYSA-N	1	0	374.514	1.805	20	30		FDEDRO
CC[C@]1(CNC(=[NH2+])NCCCN2CCOCC2)OCCc2ccccc21	ZINC000290763290	1000157495	/nfs/dbraw/zinc/15/74/95/1000157495.db2.gz	ZPEHABKLFVYBKD-HXUWFJFHSA-N	1	0	360.502	1.491	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1OC[C@H]2COCC[C@H]21	ZINC000290805941	1000160128	/nfs/dbraw/zinc/16/01/28/1000160128.db2.gz	VFTQGUTWBOKRSE-GUDVDZBRSA-N	1	0	357.454	1.500	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC[C@H]1CCS(=O)(=O)C1	ZINC001110925241	1000908773	/nfs/dbraw/zinc/90/87/73/1000908773.db2.gz	PZDPKJZNSQFPGA-MLHJIOFPSA-N	1	0	366.527	1.726	20	30		FDEDRO
C[NH+]1CCN(c2cccc(C(=O)NCc3cc(C#N)ccc3F)n2)CC1	ZINC000927683965	1000981001	/nfs/dbraw/zinc/98/10/01/1000981001.db2.gz	URYUQXUBQUZYHW-UHFFFAOYSA-N	1	0	353.401	1.774	20	30		FDEDRO
N#CCCc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1	ZINC000927799543	1001058603	/nfs/dbraw/zinc/05/86/03/1001058603.db2.gz	OUNUVSYSMKBMOQ-SJORKVTESA-N	1	0	354.454	1.929	20	30		FDEDRO
COCC[NH2+]C1CCN(C(=O)C(=O)Nc2ccc(CCC#N)cc2)CC1	ZINC000927802861	1001062854	/nfs/dbraw/zinc/06/28/54/1001062854.db2.gz	MTCNUAMPHLWRSG-UHFFFAOYSA-N	1	0	358.442	1.308	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)cc21	ZINC000927805181	1001065643	/nfs/dbraw/zinc/06/56/43/1001065643.db2.gz	UMZWRZAUARGWCY-RBVVOMGSSA-N	1	0	367.453	1.808	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000927841470	1001097570	/nfs/dbraw/zinc/09/75/70/1001097570.db2.gz	GPGFAKOGQXYCPU-GOSISDBHSA-N	1	0	355.479	1.419	20	30		FDEDRO
[NH3+]CC[C@H]1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1	ZINC000927885438	1001180316	/nfs/dbraw/zinc/18/03/16/1001180316.db2.gz	GGIIQRZLGIXCGF-KRWDZBQOSA-N	1	0	362.433	1.617	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2	ZINC000927927182	1001222212	/nfs/dbraw/zinc/22/22/12/1001222212.db2.gz	NCGPRNOJUNMDIV-IBGZPJMESA-N	1	0	356.426	1.640	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12	ZINC000928099749	1001376189	/nfs/dbraw/zinc/37/61/89/1001376189.db2.gz	UIIUHUZTVMALIE-DLBZAZTESA-N	1	0	374.510	1.904	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Cc2c(C)nc3c(c(=O)[nH]n3C)c2C)CC1	ZINC000928657886	1001613313	/nfs/dbraw/zinc/61/33/13/1001613313.db2.gz	CTEKRUZUZNLADW-UHFFFAOYSA-N	1	0	355.442	1.047	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)COc2cccc(N3CCCC3=O)c2)CC1	ZINC000928658806	1001613785	/nfs/dbraw/zinc/61/37/85/1001613785.db2.gz	SPJIDEKPDWYXBU-UHFFFAOYSA-N	1	0	355.438	1.406	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CNC(=O)NCc2ccc(Cl)cc2)CC1	ZINC000928658507	1001613828	/nfs/dbraw/zinc/61/38/28/1001613828.db2.gz	VHBLXGMDCAGOAV-UHFFFAOYSA-N	1	0	362.861	1.353	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@]23C[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C3)CC1	ZINC000928660211	1001615099	/nfs/dbraw/zinc/61/50/99/1001615099.db2.gz	MCZITDFKIHZKAZ-YYFZDKIDSA-N	1	0	361.486	1.894	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CSCC(=O)N(C)C2CCCCC2)CC1	ZINC000928659288	1001615146	/nfs/dbraw/zinc/61/51/46/1001615146.db2.gz	JTPWCQWZZGGYNY-UHFFFAOYSA-N	1	0	365.543	1.725	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)COc2ccc(N3CCCC3=O)cc2)CC1	ZINC000928659353	1001615166	/nfs/dbraw/zinc/61/51/66/1001615166.db2.gz	MNQLRWFPGSYGIP-UHFFFAOYSA-N	1	0	355.438	1.406	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)CC1	ZINC000928659514	1001615261	/nfs/dbraw/zinc/61/52/61/1001615261.db2.gz	PFDHABNYMDIECZ-UHFFFAOYSA-N	1	0	352.438	1.872	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(SC)cc3)C2)CC1	ZINC000928659618	1001615309	/nfs/dbraw/zinc/61/53/09/1001615309.db2.gz	ULDZUJQJGZGASL-OAHLLOKOSA-N	1	0	371.506	1.975	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H](O)c2cccc(Br)c2)CC1	ZINC000928661260	1001615671	/nfs/dbraw/zinc/61/56/71/1001615671.db2.gz	ZDUJACPQZQPUHA-OAHLLOKOSA-N	1	0	351.244	1.696	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)CC1	ZINC000928660746	1001616099	/nfs/dbraw/zinc/61/60/99/1001616099.db2.gz	OZUMDPIJCPNTKU-UHFFFAOYSA-N	1	0	371.372	1.747	20	30		FDEDRO
N#Cc1ccc(N[C@@H]2CCCN(C(=O)C3C[NH+](C4CCOCC4)C3)C2)nc1	ZINC000928722631	1001637385	/nfs/dbraw/zinc/63/73/85/1001637385.db2.gz	VGSABFVKGSAOCQ-QGZVFWFLSA-N	1	0	369.469	1.467	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCN(CC(F)F)C1)C2	ZINC001110953628	1001705510	/nfs/dbraw/zinc/70/55/10/1001705510.db2.gz	AKWCCHRUBKKDBD-HZMVEIRTSA-N	1	0	371.472	1.888	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H]1CCc2ccccc2C1)C1CC[NH+](C)CC1	ZINC000929206314	1001813526	/nfs/dbraw/zinc/81/35/26/1001813526.db2.gz	DQIAKTCTRDEGBX-GOSISDBHSA-N	1	0	353.466	1.216	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1ccc(OC(C)C)cc1)C1CC[NH+](C)CC1	ZINC000929329429	1001941761	/nfs/dbraw/zinc/94/17/61/1001941761.db2.gz	HREFJEOSQHIVLC-UHFFFAOYSA-N	1	0	371.481	1.646	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1ccc(OCC)cc1)C1CC[NH+](C)CC1	ZINC000929365461	1001972751	/nfs/dbraw/zinc/97/27/51/1001972751.db2.gz	QGVPQTNSDNUKDR-UHFFFAOYSA-N	1	0	357.454	1.258	20	30		FDEDRO
C#CCN(C(=O)C(=O)NC[C@H](C)N(C)c1ccccc1)C1CC[NH+](C)CC1	ZINC000929405971	1002015579	/nfs/dbraw/zinc/01/55/79/1002015579.db2.gz	WLIROIRVGLKCPG-KRWDZBQOSA-N	1	0	370.497	1.184	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1	ZINC000965945153	1016582103	/nfs/dbraw/zinc/58/21/03/1016582103.db2.gz	DEXKWVPZYUKRPI-BDXSIMOUSA-N	1	0	365.518	1.661	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC000948579753	1002466624	/nfs/dbraw/zinc/46/66/24/1002466624.db2.gz	IFWOOFVNAULGDC-ZTFGCOKTSA-N	1	0	371.485	1.726	20	30		FDEDRO
C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C#N)s1	ZINC001111277254	1002468959	/nfs/dbraw/zinc/46/89/59/1002468959.db2.gz	IOSLDHMHVBRHLO-XYPHTWIQSA-N	1	0	362.499	1.419	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3c(C)ccn3C)C[C@H]2C)CC1	ZINC000948705216	1002582576	/nfs/dbraw/zinc/58/25/76/1002582576.db2.gz	QDWUODWAPNLPAU-SJLPKXTDSA-N	1	0	370.497	1.255	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)[C@@H](O)C1	ZINC000965977449	1016644700	/nfs/dbraw/zinc/64/47/00/1016644700.db2.gz	AWFOSYOGCWHWBT-ILXRZTDVSA-N	1	0	371.909	1.327	20	30		FDEDRO
CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)CC1	ZINC000948783326	1002680045	/nfs/dbraw/zinc/68/00/45/1002680045.db2.gz	VKEJTGVEMYITRM-KURKYZTESA-N	1	0	354.454	1.493	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCC(C)(C)O2)CC1	ZINC000930007973	1002731308	/nfs/dbraw/zinc/73/13/08/1002731308.db2.gz	CGRXHBOKHJIYMT-INIZCTEOSA-N	1	0	351.491	1.607	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H](CC)c1nc(C)cs1)C1CC[NH+](C)CC1	ZINC000930008387	1002731697	/nfs/dbraw/zinc/73/16/97/1002731697.db2.gz	ZIZFLUPIBHMQGY-OAHLLOKOSA-N	1	0	362.499	1.575	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(C)c(C#N)c2)CC1	ZINC000930010262	1002733193	/nfs/dbraw/zinc/73/31/93/1002733193.db2.gz	OKWLPMOOVZYLAM-UHFFFAOYSA-N	1	0	354.454	1.640	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1	ZINC000965993773	1016672601	/nfs/dbraw/zinc/67/26/01/1016672601.db2.gz	BDRWPVMZBWBYCV-XDNAFOTISA-N	1	0	365.518	1.661	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@H]2C)nc1	ZINC000949017546	1002935021	/nfs/dbraw/zinc/93/50/21/1002935021.db2.gz	KURGRTMTPRIPJZ-LZQZEXGQSA-N	1	0	368.481	1.512	20	30		FDEDRO
C#CC1(O)CN(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2OCC)C1	ZINC000930258187	1002975675	/nfs/dbraw/zinc/97/56/75/1002975675.db2.gz	YNUYKYHBQOWWOW-UHFFFAOYSA-N	1	0	358.442	1.049	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H]1CCO[C@H](CC(C)C)C1)C1CC[NH+](C)CC1	ZINC000930266524	1002984204	/nfs/dbraw/zinc/98/42/04/1002984204.db2.gz	XUHLUHBZKHSFNJ-FUHWJXTLSA-N	1	0	363.502	1.252	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H](c1cccnc1)C1CC1)C1CC[NH+](C)CC1	ZINC000930278508	1002990239	/nfs/dbraw/zinc/99/02/39/1002990239.db2.gz	GMLXENYPAPKFJI-SFHVURJKSA-N	1	0	354.454	1.205	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](OC)C(C)C)C2	ZINC001110986476	1003016268	/nfs/dbraw/zinc/01/62/68/1003016268.db2.gz	VOYWQTNFFBDFTR-VXNCWWDNSA-N	1	0	363.502	1.580	20	30		FDEDRO
C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1cncn1C)CCO2	ZINC000949194404	1003082328	/nfs/dbraw/zinc/08/23/28/1003082328.db2.gz	UOLWCEFOYXVFLW-IAGOWNOFSA-N	1	0	356.470	1.240	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[N@H+]2C[C@@H](C(=O)OCC)C3(COC3)C2)cc1	ZINC000930599127	1003312126	/nfs/dbraw/zinc/31/21/26/1003312126.db2.gz	WPFLLZWEWYECEL-KRWDZBQOSA-N	1	0	356.422	1.508	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1	ZINC000949506100	1003417940	/nfs/dbraw/zinc/41/79/40/1003417940.db2.gz	CFIXHKKVEXCHQU-SQNIBIBYSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@H]2C)cn1	ZINC000949533022	1003450922	/nfs/dbraw/zinc/45/09/22/1003450922.db2.gz	YJZMGZGUJSCNLT-ZWQIFLOQSA-N	1	0	368.481	1.370	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1	ZINC001006446858	1003663909	/nfs/dbraw/zinc/66/39/09/1003663909.db2.gz	BAYOGOYRXQMSRG-UAGQMJEPSA-N	1	0	361.486	1.169	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3ccns3)C2)CC1	ZINC000949864908	1003758958	/nfs/dbraw/zinc/75/89/58/1003758958.db2.gz	NZVCXRULZXBVJU-UKRRQHHQSA-N	1	0	360.483	1.065	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1)[NH+]1CCCC1	ZINC000949890392	1003781989	/nfs/dbraw/zinc/78/19/89/1003781989.db2.gz	UOLYJHFKUYOPSW-OLMNPRSZSA-N	1	0	371.485	1.583	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCc3nc[nH]c3C23CCOCC3)cc1	ZINC000931102245	1003887472	/nfs/dbraw/zinc/88/74/72/1003887472.db2.gz	RCACIHRLWUFEDA-MRXNPFEDSA-N	1	0	368.437	1.585	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCc2nc[nH]c2C12CCOCC2	ZINC000931109035	1003897246	/nfs/dbraw/zinc/89/72/46/1003897246.db2.gz	IGUBQLJZUHHNEA-INIZCTEOSA-N	1	0	368.437	1.585	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1ccc(C)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1	ZINC000931141277	1003920915	/nfs/dbraw/zinc/92/09/15/1003920915.db2.gz	UEHQWDNNNKNNSX-UHFFFAOYSA-N	1	0	372.425	1.075	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCc3c(=O)[nH]n(C)c3C2)c(OC)c1	ZINC000931198793	1003953948	/nfs/dbraw/zinc/95/39/48/1003953948.db2.gz	QGIHHWNRTIYVEM-OAHLLOKOSA-N	1	0	373.453	1.661	20	30		FDEDRO
N#Cc1ccc(CNC(=O)CN2CCC([N@@H+]3CCCOCC3)CC2)cc1	ZINC000931290415	1004030325	/nfs/dbraw/zinc/03/03/25/1004030325.db2.gz	NPZYDJFKFNDIRE-UHFFFAOYSA-N	1	0	356.470	1.361	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC(O)(C[NH+](C)C)CC1	ZINC000931483404	1004200003	/nfs/dbraw/zinc/20/00/03/1004200003.db2.gz	CETLYIUPBODHDD-ZDUSSCGKSA-N	1	0	364.877	1.927	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(-n3cccn3)n1)C2	ZINC001111012540	1004216056	/nfs/dbraw/zinc/21/60/56/1004216056.db2.gz	QOJJDEXLPVISJM-NXHRZFHOSA-N	1	0	367.453	1.805	20	30		FDEDRO
C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCc2cc(C#N)ccc2F)C1	ZINC000931596083	1004300440	/nfs/dbraw/zinc/30/04/40/1004300440.db2.gz	QEVKOHBHCJPEDJ-PBHICJAKSA-N	1	0	358.417	1.256	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1	ZINC000931728940	1004451350	/nfs/dbraw/zinc/45/13/50/1004451350.db2.gz	CTUOESSWOFRZIV-UHFFFAOYSA-N	1	0	357.458	1.149	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccn(CC(=O)OC(C)(C)C)n2)CC1	ZINC000931974859	1004662659	/nfs/dbraw/zinc/66/26/59/1004662659.db2.gz	CGPHTNCKFLFPTC-UHFFFAOYSA-N	1	0	361.446	1.444	20	30		FDEDRO
C[C@]1(C2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)COC(=O)N1	ZINC000932090244	1004764400	/nfs/dbraw/zinc/76/44/00/1004764400.db2.gz	WTRAUTWHBINIOH-VQIMIIECSA-N	1	0	359.426	1.508	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1C#N	ZINC000932478445	1004980618	/nfs/dbraw/zinc/98/06/18/1004980618.db2.gz	IFEBESAYWAYAON-SJLPKXTDSA-N	1	0	354.454	1.426	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccc(CCC#N)cc2)CC1	ZINC000932573154	1005018720	/nfs/dbraw/zinc/01/87/20/1005018720.db2.gz	PPHZDYZOKNUQRY-GOSISDBHSA-N	1	0	369.469	1.913	20	30		FDEDRO
C=CCNC(=O)C[NH+]1CCC(OC2CN(C(=O)OC(C)(C)C)C2)CC1	ZINC000932799765	1005186129	/nfs/dbraw/zinc/18/61/29/1005186129.db2.gz	PPJKSWYDLYTISI-UHFFFAOYSA-N	1	0	353.463	1.389	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(C(=O)N[C@H](CC#N)C(F)(F)F)CC1	ZINC000932901893	1005236646	/nfs/dbraw/zinc/23/66/46/1005236646.db2.gz	CNTBWPNFMHXGKB-CYBMUJFWSA-N	1	0	357.336	1.766	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H](CC#N)C(F)(F)F)CC1	ZINC000932918977	1005244081	/nfs/dbraw/zinc/24/40/81/1005244081.db2.gz	XYAGDUBAHKJPHT-GFCCVEGCSA-N	1	0	363.384	1.027	20	30		FDEDRO
C#CCC1([NH2+]CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CCCCC1	ZINC000933265492	1005527471	/nfs/dbraw/zinc/52/74/71/1005527471.db2.gz	BJWCZGHZJIWRIS-UHFFFAOYSA-N	1	0	357.458	1.140	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CCN(Cc3ccccc3)C2=O)CC1	ZINC000933357149	1005545640	/nfs/dbraw/zinc/54/56/40/1005545640.db2.gz	UXHJROBYQLHAGC-LJQANCHMSA-N	1	0	353.466	1.639	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@]12C[C@H]1COC21CCC1	ZINC000933390917	1005550212	/nfs/dbraw/zinc/55/02/12/1005550212.db2.gz	RXRDYADALJRNFF-MGPUTAFESA-N	1	0	363.421	1.984	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@](C)(CO)Cc2ccc(Cl)cc2)CC1	ZINC000933445008	1005558592	/nfs/dbraw/zinc/55/85/92/1005558592.db2.gz	AOQGZAXUJJMWHC-IBGZPJMESA-N	1	0	363.889	1.001	20	30		FDEDRO
C[C@]1(C#N)CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCO1	ZINC000933596891	1005586732	/nfs/dbraw/zinc/58/67/32/1005586732.db2.gz	IYOOQZYTUXJRGH-FQEVSTJZSA-N	1	0	356.470	1.513	20	30		FDEDRO
CN(C[C@@](C)(O)C[NH+]1CCC2(CC1)CC(=O)C=CO2)C(=O)OC(C)(C)C	ZINC000933648070	1005598142	/nfs/dbraw/zinc/59/81/42/1005598142.db2.gz	RKOHAWWVOZUKGM-GOSISDBHSA-N	1	0	368.474	1.942	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3C[C@@H]4CCC[C@]4(C(N)=O)C3)C2=O)cc1	ZINC000933751269	1005629544	/nfs/dbraw/zinc/62/95/44/1005629544.db2.gz	FNEMHFXXVUEMJX-KNBMTAEXSA-N	1	0	352.438	1.641	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[NH2+]C2(C(=O)N3CCOCC3)CCCCC2)cc1	ZINC000934058294	1005683254	/nfs/dbraw/zinc/68/32/54/1005683254.db2.gz	XBJOEZCAABWABE-SFHVURJKSA-N	1	0	357.454	1.743	20	30		FDEDRO
Cc1oc(NC(=O)[C@H](C)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c(C#N)c1C	ZINC000934265478	1005725407	/nfs/dbraw/zinc/72/54/07/1005725407.db2.gz	SYQQTMMBGWTQBE-XKQJLSEDSA-N	1	0	360.458	1.626	20	30		FDEDRO
CC(=O)[C@](C#N)(CCN1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO)c1ccccc1	ZINC000934276676	1005727922	/nfs/dbraw/zinc/72/79/22/1005727922.db2.gz	VCTBXTUCCTVHIZ-PCCBWWKXSA-N	1	0	355.482	1.958	20	30		FDEDRO
C=CCCC[N@@H+](CC)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21	ZINC000934648217	1005771326	/nfs/dbraw/zinc/77/13/26/1005771326.db2.gz	LGEOCDZLMVITHY-UHFFFAOYSA-N	1	0	351.472	1.511	20	30		FDEDRO
C=CCOC[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)o1)C(=O)OC	ZINC000935777999	1006011219	/nfs/dbraw/zinc/01/12/19/1006011219.db2.gz	ZIUPPGSRUMKQJQ-OAHLLOKOSA-N	1	0	350.415	1.740	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1cnn(C)c1	ZINC001111107196	1006080603	/nfs/dbraw/zinc/08/06/03/1006080603.db2.gz	LULGZQMMHSMRQH-YRXWBPOGSA-N	1	0	373.501	1.155	20	30		FDEDRO
C[C@H](O)c1cn(CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)nn1	ZINC000778447593	1006292870	/nfs/dbraw/zinc/29/28/70/1006292870.db2.gz	ZWSWKQFWSZODEI-HNNXBMFYSA-N	1	0	368.441	1.006	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(-n3cccn3)c1)C2	ZINC001111145843	1006446230	/nfs/dbraw/zinc/44/62/30/1006446230.db2.gz	ZGDXXGHRMWVHMO-RLLQIKCJSA-N	1	0	364.449	1.857	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(C)C(=O)CC2CC[NH+](C)CC2)C1	ZINC000954269399	1006583119	/nfs/dbraw/zinc/58/31/19/1006583119.db2.gz	WYFLSGRJHGTQGS-MSOLQXFVSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)C1	ZINC000954491327	1006815238	/nfs/dbraw/zinc/81/52/38/1006815238.db2.gz	JBYZYQIGQSUDBI-SQNIBIBYSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1	ZINC000954502782	1006823529	/nfs/dbraw/zinc/82/35/29/1006823529.db2.gz	LNISYWQAQLDOCB-SQNIBIBYSA-N	1	0	363.502	1.511	20	30		FDEDRO
C#Cc1cncc(C(=O)N(C)C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c1	ZINC000954532184	1006847718	/nfs/dbraw/zinc/84/77/18/1006847718.db2.gz	GDCMDPWCXNZODR-DNVCBOLYSA-N	1	0	368.481	1.466	20	30		FDEDRO
CC#CCNCc1cn(CC(=O)NC[C@H](c2ccccc2)C(C)C)nn1	ZINC000640969757	1006857042	/nfs/dbraw/zinc/85/70/42/1006857042.db2.gz	XVZDJXLCIOAYKF-IBGZPJMESA-N	1	0	353.470	1.947	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1	ZINC000954723359	1006981498	/nfs/dbraw/zinc/98/14/98/1006981498.db2.gz	PXMZAEMWBNPMEB-SQNIBIBYSA-N	1	0	363.502	1.367	20	30		FDEDRO
N#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3ccncc3c1)C2	ZINC001111230093	1006982148	/nfs/dbraw/zinc/98/21/48/1006982148.db2.gz	GHLSMYUOHIBEIX-KURKYZTESA-N	1	0	363.421	1.210	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(OCCN3CCOCC3)cc2)C1=O	ZINC000639132160	1007043165	/nfs/dbraw/zinc/04/31/65/1007043165.db2.gz	GHLLZGPYMQXKKW-HXUWFJFHSA-N	1	0	373.497	1.616	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1	ZINC000778990537	1007109015	/nfs/dbraw/zinc/10/90/15/1007109015.db2.gz	SBRFDOPTCCAFDI-GJZGRUSLSA-N	1	0	352.479	1.984	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000957014319	1007532364	/nfs/dbraw/zinc/53/23/64/1007532364.db2.gz	XDCINBFFAVAZRW-ZSZQSSIHSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=CCOc1ccc(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)cc1	ZINC000646195397	1008569785	/nfs/dbraw/zinc/56/97/85/1008569785.db2.gz	BIMMDHWWFDARNF-SFHVURJKSA-N	1	0	357.454	1.676	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C	ZINC000949959272	1008575034	/nfs/dbraw/zinc/57/50/34/1008575034.db2.gz	GYELGTJKAAGILZ-QGPMSJSTSA-N	1	0	358.486	1.591	20	30		FDEDRO
NC(=O)C1CCN(c2ncccc2CNC(=[NH2+])N2CCCCCC2)CC1	ZINC000305047214	1008609823	/nfs/dbraw/zinc/60/98/23/1008609823.db2.gz	FWHIQFIJPDYWTQ-UHFFFAOYSA-N	1	0	358.490	1.474	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccn2c[nH+]cc2c1	ZINC000950215631	1008862049	/nfs/dbraw/zinc/86/20/49/1008862049.db2.gz	XKWXVABBCPUKQB-NJAFHUGGSA-N	1	0	368.437	1.646	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCS(=O)(=O)NC)C1	ZINC001111745422	1008871099	/nfs/dbraw/zinc/87/10/99/1008871099.db2.gz	YCZOBOAQAORJLA-ZOBUZTSGSA-N	1	0	357.520	1.251	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC000950241264	1008934403	/nfs/dbraw/zinc/93/44/03/1008934403.db2.gz	BIVHSPRPEFUAGM-ATZDWAIDSA-N	1	0	353.466	1.268	20	30		FDEDRO
Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2)CC1	ZINC000779391172	1008939683	/nfs/dbraw/zinc/93/96/83/1008939683.db2.gz	IMTBVMKVZQVMQZ-UHFFFAOYSA-N	1	0	373.482	1.841	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCc3ccccc3)C[C@H]21	ZINC001114858975	1009588504	/nfs/dbraw/zinc/58/85/04/1009588504.db2.gz	LGNPJXARJNPXQI-SLHNCBLASA-N	1	0	356.466	1.841	20	30		FDEDRO
[NH2+]=C(NCCC(=O)N1CCN(c2ccccc2)CC1)NC1CCCCC1	ZINC000303979435	1009792079	/nfs/dbraw/zinc/79/20/79/1009792079.db2.gz	NDZWYTCMBONMBK-UHFFFAOYSA-N	1	0	357.502	1.962	20	30		FDEDRO
C=CCOc1ccc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1	ZINC000950952144	1010103963	/nfs/dbraw/zinc/10/39/63/1010103963.db2.gz	GVUBKLMVBPICMY-HHXXYDBFSA-N	1	0	371.481	1.922	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1	ZINC000950985153	1010215819	/nfs/dbraw/zinc/21/58/19/1010215819.db2.gz	NEMJVLRXZBMOBU-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@H]2C)nc1	ZINC000959653789	1010357210	/nfs/dbraw/zinc/35/72/10/1010357210.db2.gz	YREGSZDFOTYZTM-RVKKMQEKSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)c1cccs1)C2	ZINC001111351877	1010394766	/nfs/dbraw/zinc/39/47/66/1010394766.db2.gz	OSLPAUPBHZOWRZ-KFWWJZLASA-N	1	0	363.483	1.402	20	30		FDEDRO
C[C@@H](CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)CN1CCOCC1	ZINC000304761548	1010489751	/nfs/dbraw/zinc/48/97/51/1010489751.db2.gz	UNWDQLVYJIVTNR-ZDUSSCGKSA-N	1	0	374.407	1.958	20	30		FDEDRO
COCCOCCCCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000304998639	1010689281	/nfs/dbraw/zinc/68/92/81/1010689281.db2.gz	GOCOBCGODJWMSZ-HNNXBMFYSA-N	1	0	370.494	1.310	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1	ZINC000951297406	1010703357	/nfs/dbraw/zinc/70/33/57/1010703357.db2.gz	AFACFTSGAPJPEZ-NXHRZFHOSA-N	1	0	368.437	1.646	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)CN(C)C1=O)C2	ZINC001111371101	1010822856	/nfs/dbraw/zinc/82/28/56/1010822856.db2.gz	SOVJBOVKXDYOEK-OAGGEKHMSA-N	1	0	364.490	1.572	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)c1	ZINC000951957829	1011147712	/nfs/dbraw/zinc/14/77/12/1011147712.db2.gz	KMALLAAMRUXULS-GBESFXJTSA-N	1	0	368.481	1.514	20	30		FDEDRO
C[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CCCN1C(=O)[C@H]1CC[C@@H](C(N)=O)C1	ZINC000960872486	1011584050	/nfs/dbraw/zinc/58/40/50/1011584050.db2.gz	CVKIBORPRVRYDU-CEXWTWQISA-N	1	0	368.481	1.883	20	30		FDEDRO
C=C1CCC(C(=O)N2CCO[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@@H]32)CC1	ZINC000960894379	1011639992	/nfs/dbraw/zinc/63/99/92/1011639992.db2.gz	PTNRQKPRAMLUTM-OKZBNKHCSA-N	1	0	361.486	1.265	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@H]3[C@H]2CCCN3C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC000962930725	1011686051	/nfs/dbraw/zinc/68/60/51/1011686051.db2.gz	JODXCWHQAMFWQE-MOIQIXESSA-N	1	0	369.469	1.432	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)CC[N@@H+]1C	ZINC000953141209	1012272771	/nfs/dbraw/zinc/27/27/71/1012272771.db2.gz	TZSWUYJUZJXOGP-KKVAFCGZSA-N	1	0	369.469	1.291	20	30		FDEDRO
Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21	ZINC000961835439	1012911512	/nfs/dbraw/zinc/91/15/12/1012911512.db2.gz	SUBLYZUDXUEEII-TYZHSBRISA-N	1	0	360.461	1.622	20	30		FDEDRO
Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@H]32)cn1	ZINC000961838147	1012915860	/nfs/dbraw/zinc/91/58/60/1012915860.db2.gz	LCMKFVBGOCLWRW-IGKNDFSCSA-N	1	0	367.478	1.703	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCC([NH2+]CCc2cnn(C)c2)CC1	ZINC000963926954	1012972469	/nfs/dbraw/zinc/97/24/69/1012972469.db2.gz	XAPZSJGMRAFDNK-GMNCBBECSA-N	1	0	360.502	1.913	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1	ZINC000963972952	1013034634	/nfs/dbraw/zinc/03/46/34/1013034634.db2.gz	NLAJVECMVGLXIL-TVFCKZIOSA-N	1	0	363.502	1.465	20	30		FDEDRO
Cn1cc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1C#N	ZINC000191012797	178036303	/nfs/dbraw/zinc/03/63/03/178036303.db2.gz	PHFGMSXHXFANTC-UHFFFAOYSA-N	1	0	364.393	1.548	20	30		FDEDRO
C=CCn1c(CNC(=O)c2cccs2)nnc1N1CC[NH+](C(C)C)CC1	ZINC000508462363	538932783	/nfs/dbraw/zinc/93/27/83/538932783.db2.gz	VTBWDDJMPHQGBS-UHFFFAOYSA-N	1	0	374.514	1.986	20	30		FDEDRO
C[NH+](C)CCn1nnnc1SCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000510070580	538952596	/nfs/dbraw/zinc/95/25/96/538952596.db2.gz	HXDIJDQWOZLZDP-UHFFFAOYSA-N	1	0	365.850	1.491	20	30		FDEDRO
CC[C@H](C(=O)OC)N1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000511546480	538960741	/nfs/dbraw/zinc/96/07/41/538960741.db2.gz	POFCUSCGYIQIAN-QGZVFWFLSA-N	1	0	358.442	1.456	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1	ZINC000511967048	538967122	/nfs/dbraw/zinc/96/71/22/538967122.db2.gz	GPZKAOMDRQFCJC-UHFFFAOYSA-N	1	0	359.470	1.970	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](CO)C[NH+]1CCCCC1	ZINC000512354356	538973223	/nfs/dbraw/zinc/97/32/23/538973223.db2.gz	BBPQMOPGXFNZEK-KRWDZBQOSA-N	1	0	361.490	1.309	20	30		FDEDRO
COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1	ZINC000513393760	538994539	/nfs/dbraw/zinc/99/45/39/538994539.db2.gz	DHKWHPMLVFTJHY-HOCLYGCPSA-N	1	0	358.442	1.360	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)NCCCC[NH+]1CCN(C)CC1	ZINC000514403859	539013154	/nfs/dbraw/zinc/01/31/54/539013154.db2.gz	CYPSNBWQWTXCTO-UHFFFAOYSA-N	1	0	360.458	1.089	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1	ZINC000267917324	674033909	/nfs/dbraw/zinc/03/39/09/674033909.db2.gz	HCXFIGBFOVBYLV-UHFFFAOYSA-N	1	0	371.438	1.172	20	30		FDEDRO
CCC[N@H+](C)CC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000518534829	539430201	/nfs/dbraw/zinc/43/02/01/539430201.db2.gz	VUYWGWHQTWRODF-UHFFFAOYSA-N	1	0	354.458	1.717	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)C[C@@H]21	ZINC000519745574	539498113	/nfs/dbraw/zinc/49/81/13/539498113.db2.gz	GIKJIFTXNKSAQZ-ZACQAIPSSA-N	1	0	373.526	1.093	20	30		FDEDRO
CC(C)(CC[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)S(C)(=O)=O	ZINC000521994777	539526455	/nfs/dbraw/zinc/52/64/55/539526455.db2.gz	GSLKBWKNLDHXIT-UHFFFAOYSA-N	1	0	358.485	1.135	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1	ZINC000264043519	179019091	/nfs/dbraw/zinc/01/90/91/179019091.db2.gz	GYYQAYAXBVBMIN-MRXNPFEDSA-N	1	0	371.485	1.815	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)n1	ZINC000546882362	542249429	/nfs/dbraw/zinc/24/94/29/542249429.db2.gz	AOAWOYCBFBGHGK-DLBZAZTESA-N	1	0	354.458	1.412	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(c2nc(C(F)(F)F)ccc2C#N)CC1	ZINC000265251558	179322459	/nfs/dbraw/zinc/32/24/59/179322459.db2.gz	QYDUUJDZXNCXMB-UHFFFAOYSA-N	1	0	369.391	1.962	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1	ZINC000266217175	179553558	/nfs/dbraw/zinc/55/35/58/179553558.db2.gz	RKXMXUOUWMWWNW-QGZVFWFLSA-N	1	0	364.515	1.417	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)CC1	ZINC000525167198	539681020	/nfs/dbraw/zinc/68/10/20/539681020.db2.gz	WDXHDUBECNIALE-INIZCTEOSA-N	1	0	355.442	1.038	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1	ZINC000525863362	539690839	/nfs/dbraw/zinc/69/08/39/539690839.db2.gz	QFBPREDKTFNAQE-MRXNPFEDSA-N	1	0	370.453	1.982	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000268187758	180019611	/nfs/dbraw/zinc/01/96/11/180019611.db2.gz	UZFCGIQAVXAOEJ-UZLBHIALSA-N	1	0	367.497	1.868	20	30		FDEDRO
C[C@@H]1C[N@@H+](CC2CCN(C(=O)Cc3ccc(C#N)nc3)CC2)C[C@H](C)O1	ZINC000528361940	539753511	/nfs/dbraw/zinc/75/35/11/539753511.db2.gz	CWTXCJHCCXFNCS-IYBDPMFKSA-N	1	0	356.470	1.844	20	30		FDEDRO
CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2CC#CCN1C(=O)c2ccccc2C1=O	ZINC000528508607	539763169	/nfs/dbraw/zinc/76/31/69/539763169.db2.gz	QNORPOCOSYAJMU-HLULTAIVSA-N	1	0	350.418	1.641	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)NCC1(O)CC[NH+](C(C)C)CC1	ZINC000268517792	180103669	/nfs/dbraw/zinc/10/36/69/180103669.db2.gz	ZJHORIAOMHJMAL-UHFFFAOYSA-N	1	0	361.442	1.297	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1F	ZINC000529331823	539821084	/nfs/dbraw/zinc/82/10/84/539821084.db2.gz	QNTJTXTXIISKGQ-QGZVFWFLSA-N	1	0	360.433	1.997	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O	ZINC000530232948	539916335	/nfs/dbraw/zinc/91/63/35/539916335.db2.gz	MWNHBYVFKPBWHO-QZTJIDSGSA-N	1	0	369.396	1.832	20	30		FDEDRO
Cn1cc(N2CCC[C@@H]([NH2+]C[C@H](O)COc3ccccc3C#N)C2)cn1	ZINC000530230199	539914685	/nfs/dbraw/zinc/91/46/85/539914685.db2.gz	FLACLJSQZVOFDB-AEFFLSMTSA-N	1	0	355.442	1.290	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)cc2C1=O	ZINC000530766904	540038206	/nfs/dbraw/zinc/03/82/06/540038206.db2.gz	FGFNRHWHJABNQL-TZMCWYRMSA-N	1	0	353.422	1.824	20	30		FDEDRO
C#CCN(CC)C(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C	ZINC000268559808	674091882	/nfs/dbraw/zinc/09/18/82/674091882.db2.gz	OHWZYOILFZQFFX-UHFFFAOYSA-N	1	0	365.499	1.320	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)Cc2cccc(C#N)c2)C[C@@H]1[NH+]1CCCC1	ZINC000274822954	181172028	/nfs/dbraw/zinc/17/20/28/181172028.db2.gz	QNIKHEZVEZOCLT-IRXDYDNUSA-N	1	0	365.524	1.900	20	30		FDEDRO
Cn1cc(CN2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)cn1	ZINC000532547524	540172257	/nfs/dbraw/zinc/17/22/57/540172257.db2.gz	CTMGTESTYZNDNW-UHFFFAOYSA-N	1	0	352.442	1.438	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)n(CCC#N)n1	ZINC000532681347	540184192	/nfs/dbraw/zinc/18/41/92/540184192.db2.gz	PELZVNOYSLSWPR-MRXNPFEDSA-N	1	0	374.489	1.670	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]4COCC[C@H]43)CC2)o1	ZINC000533345945	540236219	/nfs/dbraw/zinc/23/62/19/540236219.db2.gz	IAIWLYPGDLKJDA-NVXWUHKLSA-N	1	0	373.457	1.004	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)n(CCC#N)n1	ZINC000533457340	540250164	/nfs/dbraw/zinc/25/01/64/540250164.db2.gz	FTDMILHCKOESCA-CQSZACIVSA-N	1	0	360.462	1.282	20	30		FDEDRO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)CCCn1c2ccccc2[nH]c1=O	ZINC000535549131	540482182	/nfs/dbraw/zinc/48/21/82/540482182.db2.gz	POGUWFDVCAJJLG-UHFFFAOYSA-N	1	0	353.430	1.874	20	30		FDEDRO
CC[N@H+](CCCO)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000537247134	540706515	/nfs/dbraw/zinc/70/65/15/540706515.db2.gz	ARWJDJSRYYVYOD-OAHLLOKOSA-N	1	0	350.488	1.161	20	30		FDEDRO
CC[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1	ZINC000269046922	674106017	/nfs/dbraw/zinc/10/60/17/674106017.db2.gz	OCJFSXAVJZUEFN-QOBDKFOYSA-N	1	0	366.487	1.955	20	30		FDEDRO
COC(C)(C)C[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000538349640	540845692	/nfs/dbraw/zinc/84/56/92/540845692.db2.gz	FRFAAOSIBCPXPA-HNNXBMFYSA-N	1	0	364.515	1.814	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(NCc2cnc3ccc(C#N)cn23)CC1	ZINC000539506230	540967979	/nfs/dbraw/zinc/96/79/79/540967979.db2.gz	ZXTRYZOIIWESBP-UHFFFAOYSA-N	1	0	354.458	1.238	20	30		FDEDRO
CCOC(=O)CC(C)(C)[N@H+](C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000540347718	541048428	/nfs/dbraw/zinc/04/84/28/541048428.db2.gz	GFVIDEIQCQFAEY-MRXNPFEDSA-N	1	0	366.506	1.342	20	30		FDEDRO
CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Cn1cnc(C#N)n1	ZINC000540514306	541069328	/nfs/dbraw/zinc/06/93/28/541069328.db2.gz	LBVGBFPJCWRGSA-UHFFFAOYSA-N	1	0	353.430	1.310	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)c1	ZINC000269189416	674107539	/nfs/dbraw/zinc/10/75/39/674107539.db2.gz	JZRQSFBFFVXUSS-UKRRQHHQSA-N	1	0	351.472	1.269	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1	ZINC000542133645	541344562	/nfs/dbraw/zinc/34/45/62/541344562.db2.gz	LDOYNCILYXWRQO-DCGLDWPTSA-N	1	0	366.487	1.428	20	30		FDEDRO
N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)CC2	ZINC000275658900	181379539	/nfs/dbraw/zinc/37/95/39/181379539.db2.gz	DISVSLKBTWKSCL-GOSISDBHSA-N	1	0	366.465	1.924	20	30		FDEDRO
C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000542745210	541457942	/nfs/dbraw/zinc/45/79/42/541457942.db2.gz	KHUGPKRFFAZYCG-GFCCVEGCSA-N	1	0	366.443	1.817	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCOC[C@@H]2c2noc(C(C)C)n2)CC1	ZINC000542751807	541459877	/nfs/dbraw/zinc/45/98/77/541459877.db2.gz	STSILMVJJSTERN-OAHLLOKOSA-N	1	0	363.462	1.926	20	30		FDEDRO
C=CCCOCCCCC(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1	ZINC000544242139	541738562	/nfs/dbraw/zinc/73/85/62/541738562.db2.gz	VGLRWAPUIQCWHV-UHFFFAOYSA-N	1	0	354.491	1.435	20	30		FDEDRO
C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1	ZINC000545169569	541890101	/nfs/dbraw/zinc/89/01/01/541890101.db2.gz	HNETXFOCQQHXDV-QGZVFWFLSA-N	1	0	374.832	1.585	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc(C#N)cc1	ZINC000283518486	182204877	/nfs/dbraw/zinc/20/48/77/182204877.db2.gz	CGUOHUFEVKZXLQ-JCGIZDLHSA-N	1	0	354.454	1.678	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC[C@H]1CCC[N@@H+](C)C1	ZINC000545198335	541900563	/nfs/dbraw/zinc/90/05/63/541900563.db2.gz	AKULPDIQSXXSTJ-OAHLLOKOSA-N	1	0	353.430	1.911	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2OC)C[C@H]1C	ZINC000545296269	541928370	/nfs/dbraw/zinc/92/83/70/541928370.db2.gz	VPBUKJUWQZUQFJ-HIFRSBDPSA-N	1	0	358.442	1.837	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NCc1cccc(C#N)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000284108268	182367719	/nfs/dbraw/zinc/36/77/19/182367719.db2.gz	UJSFILXCUOZLIZ-CRAIPNDOSA-N	1	0	368.481	1.944	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)CC2)n1	ZINC000545488931	541985572	/nfs/dbraw/zinc/98/55/72/541985572.db2.gz	FCUJORLCNNBCSL-SFHVURJKSA-N	1	0	369.469	1.245	20	30		FDEDRO
C[N@@H+]1CC[C@](O)(CNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1	ZINC000545870285	542033695	/nfs/dbraw/zinc/03/36/95/542033695.db2.gz	REVBZZVOECZAJJ-HNNXBMFYSA-N	1	0	372.347	1.687	20	30		FDEDRO
N#Cc1cccc(N2CC[NH+](C[C@H](O)COCc3cccs3)CC2)n1	ZINC000546212092	542126714	/nfs/dbraw/zinc/12/67/14/542126714.db2.gz	XFAYBNHWAGKGEI-INIZCTEOSA-N	1	0	358.467	1.714	20	30		FDEDRO
Cc1cc(C#N)nc(Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)n1	ZINC000286280006	183030649	/nfs/dbraw/zinc/03/06/49/183030649.db2.gz	ODVWYCSYXGXTLP-UHFFFAOYSA-N	1	0	363.425	1.854	20	30		FDEDRO
CC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C(=O)N1CCOCC1	ZINC000286212453	183015333	/nfs/dbraw/zinc/01/53/33/183015333.db2.gz	SBECVUKWYMTMFH-LJQANCHMSA-N	1	0	356.470	1.754	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CCCS(=O)(=O)C3)CC2)cc1	ZINC000287219632	183238845	/nfs/dbraw/zinc/23/88/45/183238845.db2.gz	XKPKUVBDBAVLAX-GOSISDBHSA-N	1	0	361.511	1.937	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1	ZINC000546710758	542206886	/nfs/dbraw/zinc/20/68/86/542206886.db2.gz	CCXOOXFQPNXZCB-UHFFFAOYSA-N	1	0	366.421	1.883	20	30		FDEDRO
COCC[N@H+](C)CCCC1CCN(S(=O)(=O)c2ccc(C#N)o2)CC1	ZINC000287734127	183369935	/nfs/dbraw/zinc/36/99/35/183369935.db2.gz	HNCLAMZJOGZESH-UHFFFAOYSA-N	1	0	369.487	1.910	20	30		FDEDRO
COCc1nn(C)cc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000294812858	184011025	/nfs/dbraw/zinc/01/10/25/184011025.db2.gz	VIVSTMBUPAHAIU-UHFFFAOYSA-N	1	0	355.442	1.642	20	30		FDEDRO
C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000295108485	184034875	/nfs/dbraw/zinc/03/48/75/184034875.db2.gz	ICHGSEMUOZETRZ-AWEZNQCLSA-N	1	0	368.478	1.143	20	30		FDEDRO
CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000295371327	184064374	/nfs/dbraw/zinc/06/43/74/184064374.db2.gz	PTVPAETVZAFNMF-PKOBYXMFSA-N	1	0	372.469	1.726	20	30		FDEDRO
CO[C@H]1C[C@@H](CN(C)S(=O)(=O)Cc2ccc(F)cc2C#N)[N@H+](C)C1	ZINC000296088293	184129269	/nfs/dbraw/zinc/12/92/69/184129269.db2.gz	QKWAQQXNLWMFGB-HOTGVXAUSA-N	1	0	355.435	1.178	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2	ZINC000297498239	184279144	/nfs/dbraw/zinc/27/91/44/184279144.db2.gz	CUNFOKDBSYUAKA-HXUWFJFHSA-N	1	0	354.454	1.461	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1	ZINC000297837998	184339472	/nfs/dbraw/zinc/33/94/72/184339472.db2.gz	LTZBGRNLBBPZDJ-LJQANCHMSA-N	1	0	368.481	1.707	20	30		FDEDRO
CSc1ccc([C@H](CNC(=O)NCCn2cnc(C#N)n2)[NH+](C)C)cc1	ZINC000297994373	184370986	/nfs/dbraw/zinc/37/09/86/184370986.db2.gz	NNWZIJIFIHRGEP-HNNXBMFYSA-N	1	0	373.486	1.474	20	30		FDEDRO
CSc1ccc([C@@H](CNC(=O)NCCn2cnc(C#N)n2)[NH+](C)C)cc1	ZINC000297994376	184371276	/nfs/dbraw/zinc/37/12/76/184371276.db2.gz	NNWZIJIFIHRGEP-OAHLLOKOSA-N	1	0	373.486	1.474	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1	ZINC000547318666	542311477	/nfs/dbraw/zinc/31/14/77/542311477.db2.gz	KEPBDAZHAMAEOH-HNNXBMFYSA-N	1	0	351.414	1.759	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C/C=C(/C)C=C)C2	ZINC001112511067	781988942	/nfs/dbraw/zinc/98/89/42/781988942.db2.gz	RTLZYDSPDDVCBU-GJDYQVEKSA-N	1	0	357.498	1.865	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3cc(C#N)ccc3C)C2)CC1	ZINC000171648834	258266894	/nfs/dbraw/zinc/26/68/94/258266894.db2.gz	CMWHIEYCTQTWEE-QGZVFWFLSA-N	1	0	369.469	1.044	20	30		FDEDRO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000161155239	258263580	/nfs/dbraw/zinc/26/35/80/258263580.db2.gz	QPZMENGBHQTMIJ-DYVFJYSZSA-N	1	0	352.442	1.785	20	30		FDEDRO
Cc1oc(NC(=O)CN2CC[NH+](CC3CCOCC3)CC2)c(C#N)c1C	ZINC000172426153	258276069	/nfs/dbraw/zinc/27/60/69/258276069.db2.gz	HNCVIVFHQKTLDQ-UHFFFAOYSA-N	1	0	360.458	1.751	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(S(=O)(=O)c3ccc(C#N)cc3C)CC2)c1	ZINC000172675188	258282441	/nfs/dbraw/zinc/28/24/41/258282441.db2.gz	SYCLNKDDMQSHJM-UHFFFAOYSA-N	1	0	372.450	1.781	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3C)C2)CC1	ZINC000172675259	258282680	/nfs/dbraw/zinc/28/26/80/258282680.db2.gz	JKKZUGXMSPAQBO-QGZVFWFLSA-N	1	0	362.499	1.267	20	30		FDEDRO
N#CCC[C@@H](C#N)CNCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000548786923	542778644	/nfs/dbraw/zinc/77/86/44/542778644.db2.gz	GMCYIDCUORPLDL-OALUTQOASA-N	1	0	353.470	1.917	20	30		FDEDRO
CN1CCN(C(=O)c2cnn3c2C[C@H](C[NH2+][C@H]2CC[C@H](C#N)C2)CC3)CC1	ZINC000549549207	542897817	/nfs/dbraw/zinc/89/78/17/542897817.db2.gz	NBFJTHTZKWDZRJ-BBWFWOEESA-N	1	0	370.501	1.115	20	30		FDEDRO
CCc1ccc([C@@H](CNC(=O)C(=O)N2CCC(C#N)CC2)[NH+](C)C)cc1	ZINC000550408293	543094422	/nfs/dbraw/zinc/09/44/22/543094422.db2.gz	MREZHPGQEDLRFA-GOSISDBHSA-N	1	0	356.470	1.730	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@](CO)(C(C)C)C2)CC1	ZINC000550433971	543100871	/nfs/dbraw/zinc/10/08/71/543100871.db2.gz	ZWURSAQVFUPZHH-ICSRJNTNSA-N	1	0	364.534	1.409	20	30		FDEDRO
C[NH+](C)Cc1ccc(CNC(=O)C(=O)NCc2cccc(C#N)c2)cc1	ZINC000550476831	543111135	/nfs/dbraw/zinc/11/11/35/543111135.db2.gz	KEEBJBFCDCHMME-UHFFFAOYSA-N	1	0	350.422	1.552	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1C#N	ZINC000551370231	543275582	/nfs/dbraw/zinc/27/55/82/543275582.db2.gz	GRRGAYQLURQLLL-JCKWVBRZSA-N	1	0	354.454	1.994	20	30		FDEDRO
C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000551462484	543288683	/nfs/dbraw/zinc/28/86/83/543288683.db2.gz	GMLTYRWABGPUCZ-CYBMUJFWSA-N	1	0	352.442	1.706	20	30		FDEDRO
N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c1	ZINC000069803132	172032665	/nfs/dbraw/zinc/03/26/65/172032665.db2.gz	LKMDWPFARKPFKE-GOSISDBHSA-N	1	0	356.470	1.931	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)NCC1CC[NH+](CCN(C)C)CC1	ZINC000074139200	172075117	/nfs/dbraw/zinc/07/51/17/172075117.db2.gz	LEHYMQUEJUDCHH-UHFFFAOYSA-N	1	0	374.485	1.335	20	30		FDEDRO
Cc1nn(C)c(C)c1C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000076332543	172106110	/nfs/dbraw/zinc/10/61/10/172106110.db2.gz	NFOWUIYDSFIRCM-UHFFFAOYSA-N	1	0	367.453	1.682	20	30		FDEDRO
CC(C)[C@H](CNC(=O)N(C)Cc1ccc(C#N)cc1)[NH+]1CCN(C)CC1	ZINC000079126251	172158828	/nfs/dbraw/zinc/15/88/28/172158828.db2.gz	AUJDADMPBVMDII-IBGZPJMESA-N	1	0	357.502	1.972	20	30		FDEDRO
C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000085402087	172218707	/nfs/dbraw/zinc/21/87/07/172218707.db2.gz	VXNPCNOGBIXZEV-YJBOKZPZSA-N	1	0	370.501	1.904	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)C[NH+]1CCCCC1	ZINC000091209368	172277954	/nfs/dbraw/zinc/27/79/54/172277954.db2.gz	FVOYZGRVQAZSIL-AWEZNQCLSA-N	1	0	374.489	1.686	20	30		FDEDRO
Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](Cc2cnc3ccc(C#N)cn23)C1	ZINC000092010957	172291469	/nfs/dbraw/zinc/29/14/69/172291469.db2.gz	YRRNOEPGPGIOMR-CRAIPNDOSA-N	1	0	350.426	1.885	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000104069759	172374315	/nfs/dbraw/zinc/37/43/15/172374315.db2.gz	NWMVDORFALTIGQ-RDTXWAMCSA-N	1	0	369.469	1.299	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1C1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1	ZINC000125568335	173010457	/nfs/dbraw/zinc/01/04/57/173010457.db2.gz	MTBRWWMUFUOVAA-HNNXBMFYSA-N	1	0	354.454	1.763	20	30		FDEDRO
N#Cc1ccc(Cl)cc1NC(=O)CN1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000129607159	173144668	/nfs/dbraw/zinc/14/46/68/173144668.db2.gz	ZLKMJFJYYRQGAQ-CQSZACIVSA-N	1	0	362.861	1.804	20	30		FDEDRO
CC[NH+](CC)[C@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000129919367	173155092	/nfs/dbraw/zinc/15/50/92/173155092.db2.gz	IFPLZEWQFDVVDP-ZIAGYGMSSA-N	1	0	366.487	1.072	20	30		FDEDRO
Cc1cccc(S(=O)(=O)NCc2ccnc(OCC[NH+](C)C)c2)c1C#N	ZINC000135088905	173338511	/nfs/dbraw/zinc/33/85/11/173338511.db2.gz	KWBUCHDOHUOTQU-UHFFFAOYSA-N	1	0	374.466	1.681	20	30		FDEDRO
CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000176210149	174057588	/nfs/dbraw/zinc/05/75/88/174057588.db2.gz	LZHMZJHBTVTSNT-UHFFFAOYSA-N	1	0	368.384	1.946	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1	ZINC000177530763	174139179	/nfs/dbraw/zinc/13/91/79/174139179.db2.gz	ADGRIXSSQWWUPP-HNNXBMFYSA-N	1	0	358.442	1.837	20	30		FDEDRO
COc1cc(CN2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)cc(OC)c1	ZINC000181338571	174217751	/nfs/dbraw/zinc/21/77/51/174217751.db2.gz	KSUMJTNFTOOWCH-OAHLLOKOSA-N	1	0	354.410	1.908	20	30		FDEDRO
Cn1cc(C[NH2+]CCCN2CCC(O)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000180116093	258362190	/nfs/dbraw/zinc/36/21/90/258362190.db2.gz	XRPLEAGSAZUAIV-UHFFFAOYSA-N	1	0	353.470	1.895	20	30		FDEDRO
Cn1ccnc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1=O	ZINC000183837698	258380634	/nfs/dbraw/zinc/38/06/34/258380634.db2.gz	NGPSPWSAUSVGFM-UHFFFAOYSA-N	1	0	366.425	1.392	20	30		FDEDRO
C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(c2nccc(C#N)c2Cl)C1	ZINC000553212100	543588098	/nfs/dbraw/zinc/58/80/98/543588098.db2.gz	PLOOQGQYOGIPJV-LBPRGKRZSA-N	1	0	359.821	1.395	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCO[C@@H](C(CC)CC)C2)CC1	ZINC000553330305	543610333	/nfs/dbraw/zinc/61/03/33/543610333.db2.gz	DXPSEYMVIIAIAE-ZWKOTPCHSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CC1	ZINC000553330296	543610367	/nfs/dbraw/zinc/61/03/67/543610367.db2.gz	DJOXXCLUDJCJAO-GVDBMIGSSA-N	1	0	361.486	1.217	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)C[C@@H]2c2cccnc2)CC1	ZINC000553325633	543609252	/nfs/dbraw/zinc/60/92/52/543609252.db2.gz	UIYXGBIONBXVMS-MAUKXSAKSA-N	1	0	356.470	1.758	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](COC)Cc2ccccc2)CC1	ZINC000553672306	543678478	/nfs/dbraw/zinc/67/84/78/543678478.db2.gz	POHOXOFQLQWDBI-LJQANCHMSA-N	1	0	373.497	1.517	20	30		FDEDRO
C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cccc(Br)c2C#N)C1	ZINC000553830762	543701912	/nfs/dbraw/zinc/70/19/12/543701912.db2.gz	UANWBULHUZHZGZ-LLVKDONJSA-N	1	0	372.288	1.941	20	30		FDEDRO
N#CCC[C@H](C#N)C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1	ZINC000554486724	543808535	/nfs/dbraw/zinc/80/85/35/543808535.db2.gz	UEGDHABWWQEZMM-SJORKVTESA-N	1	0	369.473	1.315	20	30		FDEDRO
N#CCC[C@H](C#N)C[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1	ZINC000554486722	543808652	/nfs/dbraw/zinc/80/86/52/543808652.db2.gz	UEGDHABWWQEZMM-IAGOWNOFSA-N	1	0	369.473	1.315	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCC[C@H](O)CC2)CC1	ZINC000555774044	544026594	/nfs/dbraw/zinc/02/65/94/544026594.db2.gz	MSOWCCYDTHRJSS-JKSUJKDBSA-N	1	0	362.499	1.304	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C	ZINC000556071114	544087323	/nfs/dbraw/zinc/08/73/23/544087323.db2.gz	OIXFYXUIQCKXBW-MRXNPFEDSA-N	1	0	351.422	1.206	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([N@H+]3C[C@H](O)C[C@@H]3[C@H]3CCCOC3)C2=O)cc1	ZINC000556282795	544126552	/nfs/dbraw/zinc/12/65/52/544126552.db2.gz	JMHFVCUTPHWGEF-OJAHFUOMSA-N	1	0	369.465	1.915	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([N@H+]3C[C@H](O)C[C@H]3[C@H]3CCCOC3)C2=O)cc1	ZINC000556282796	544126762	/nfs/dbraw/zinc/12/67/62/544126762.db2.gz	JMHFVCUTPHWGEF-RNQOJCNYSA-N	1	0	369.465	1.915	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N[C@H](C[NH+](C)C)c1ccc(OC)cc1	ZINC000556407222	544141454	/nfs/dbraw/zinc/14/14/54/544141454.db2.gz	JCTORVAHTNGSNF-MRXNPFEDSA-N	1	0	354.476	1.368	20	30		FDEDRO
COc1cccc(NC(=O)CC[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1	ZINC000556808369	544205495	/nfs/dbraw/zinc/20/54/95/544205495.db2.gz	LNDDLWTZLZIZJS-UHFFFAOYSA-N	1	0	356.430	1.765	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCCOC2CCCCC2)CC1	ZINC000570616718	549345886	/nfs/dbraw/zinc/34/58/86/549345886.db2.gz	DIZFBFXXKKXHPG-UHFFFAOYSA-N	1	0	365.518	1.999	20	30		FDEDRO
CN1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@@H](C[NH3+])C1	ZINC000557025470	544236143	/nfs/dbraw/zinc/23/61/43/544236143.db2.gz	AVMQJLCVWDTSIC-INIZCTEOSA-N	1	0	366.425	1.852	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(C#N)CC2)[C@H](C)C1	ZINC000558333030	544411567	/nfs/dbraw/zinc/41/15/67/544411567.db2.gz	SEHJODBJLKZYFV-NVXWUHKLSA-N	1	0	364.490	1.002	20	30		FDEDRO
CC(C)(C#N)CCS(=O)(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000558440058	544433548	/nfs/dbraw/zinc/43/35/48/544433548.db2.gz	CTUSWWNHDURHNO-GOSISDBHSA-N	1	0	365.499	1.483	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC(C#N)(c2ccccn2)CC1	ZINC000558581298	544473256	/nfs/dbraw/zinc/47/32/56/544473256.db2.gz	ZUOBOIIBWWJKIH-KRWDZBQOSA-N	1	0	370.501	1.284	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(c2cnccc2C#N)CC1)[NH+]1CCC(C)CC1	ZINC000559006666	544568805	/nfs/dbraw/zinc/56/88/05/544568805.db2.gz	MMXOHZCCTOMUEP-KRWDZBQOSA-N	1	0	370.501	1.905	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCO[C@@H]2CCCC[C@H]2C)CC1	ZINC000559821211	544809358	/nfs/dbraw/zinc/80/93/58/544809358.db2.gz	PRNVFKSCFIAIEF-SJLPKXTDSA-N	1	0	365.518	1.855	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CC[N@@H+](C2CCC2)C1	ZINC000293280480	258866108	/nfs/dbraw/zinc/86/61/08/258866108.db2.gz	BULIYZZDVLWQLE-CYBMUJFWSA-N	1	0	358.417	1.969	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@@H](C(=O)N4CCCC4)C3)C2=O)cc1	ZINC000329403515	259094215	/nfs/dbraw/zinc/09/42/15/259094215.db2.gz	ZSZFTIYTVIQQBK-SJLPKXTDSA-N	1	0	352.438	1.608	20	30		FDEDRO
CC1CC[NH+](C[C@H](O)CNS(=O)(=O)c2ccc(C#N)cc2Cl)CC1	ZINC000330761243	259161718	/nfs/dbraw/zinc/16/17/18/259161718.db2.gz	MQBLWLABXDYLQD-CQSZACIVSA-N	1	0	371.890	1.583	20	30		FDEDRO
C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000331001534	259172544	/nfs/dbraw/zinc/17/25/44/259172544.db2.gz	OFTVAVWCYWUGSN-DGCLKSJQSA-N	1	0	352.416	1.427	20	30		FDEDRO
Cc1ncc(S(=O)(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C#N	ZINC000331125644	259177556	/nfs/dbraw/zinc/17/75/56/259177556.db2.gz	HNGJAEGQHGAIGH-OKILXGFUSA-N	1	0	350.488	1.908	20	30		FDEDRO
C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[C@@H]1[NH3+]	ZINC000331904788	259227931	/nfs/dbraw/zinc/22/79/31/259227931.db2.gz	SVHWCRVGOQKWAQ-COXVUDFISA-N	1	0	355.442	1.432	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1	ZINC000332107550	259241956	/nfs/dbraw/zinc/24/19/56/259241956.db2.gz	ZVXOSQPIAPTAAS-DLBZAZTESA-N	1	0	369.513	1.986	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1	ZINC000332553237	259276895	/nfs/dbraw/zinc/27/68/95/259276895.db2.gz	QMPYVXHGADHBJS-RBSFLKMASA-N	1	0	357.462	1.051	20	30		FDEDRO
CN(C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCC[NH2+]CC1	ZINC000333479007	259352388	/nfs/dbraw/zinc/35/23/88/259352388.db2.gz	BFHXZBSQVPMUDZ-SJLPKXTDSA-N	1	0	369.469	1.837	20	30		FDEDRO
C[C@@H]1CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H](C)C[NH2+]1	ZINC000333826975	259385506	/nfs/dbraw/zinc/38/55/06/259385506.db2.gz	SBKNHBCWLOLUPC-KEYYUXOJSA-N	1	0	355.442	1.051	20	30		FDEDRO
N#Cc1ccc(Cl)c(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1	ZINC000367205681	260009993	/nfs/dbraw/zinc/00/99/93/260009993.db2.gz	KULQFNGTUQXZRV-INIZCTEOSA-N	1	0	360.845	1.766	20	30		FDEDRO
C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)[C@H]1COc2ccccc21	ZINC000368561807	260203083	/nfs/dbraw/zinc/20/30/83/260203083.db2.gz	NFFGQJMLADVVQF-CZUORRHYSA-N	1	0	357.435	1.881	20	30		FDEDRO
CC(C)c1nccn1[C@@H]1CCCN(C(=O)NCCn2cnc(C#N)n2)C1	ZINC000368581983	260205023	/nfs/dbraw/zinc/20/50/23/260205023.db2.gz	CXFIZGIUJXLMHC-CQSZACIVSA-N	1	0	356.434	1.516	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CC[N@@H+]1CCCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000368910347	260258798	/nfs/dbraw/zinc/25/87/98/260258798.db2.gz	LNXNMXGVVMNGEG-SFHVURJKSA-N	1	0	370.453	1.600	20	30		FDEDRO
CCCN1CC[NH+](C2CCN(CC(=O)Nc3cccc(C#N)c3)CC2)CC1	ZINC000369154622	260303845	/nfs/dbraw/zinc/30/38/45/260303845.db2.gz	IQXHPWUZHSFNSB-UHFFFAOYSA-N	1	0	369.513	1.989	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)cc1	ZINC000369181519	260308997	/nfs/dbraw/zinc/30/89/97/260308997.db2.gz	ZUJMXBNLGHTACB-ROUUACIJSA-N	1	0	357.454	1.775	20	30		FDEDRO
Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2CC(=O)NCc2cccc(C#N)c2)cn1	ZINC000369228410	260317642	/nfs/dbraw/zinc/31/76/42/260317642.db2.gz	QWQTWUJPRUYMQM-RTBURBONSA-N	1	0	367.453	1.496	20	30		FDEDRO
Cn1c(NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)c(C#N)c(=O)n(C)c1=O	ZINC000369560619	260390983	/nfs/dbraw/zinc/39/09/83/260390983.db2.gz	IDUFSSVNYAMGDD-BXUZGUMPSA-N	1	0	359.455	1.122	20	30		FDEDRO
Cc1oc(NC(=O)CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(C#N)c1C	ZINC000374420811	261128737	/nfs/dbraw/zinc/12/87/37/261128737.db2.gz	MKWMAKVMRXNLBK-BHYGNILZSA-N	1	0	360.458	1.890	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+][C@H]3CCCN(C(=O)N4CCCC4)C3)n2c1	ZINC000375738618	261410054	/nfs/dbraw/zinc/41/00/54/261410054.db2.gz	QCCDFUPXYNRHNO-INIZCTEOSA-N	1	0	352.442	1.976	20	30		FDEDRO
C[C@H](C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)n1cnc(C#N)n1	ZINC000409660281	262131946	/nfs/dbraw/zinc/13/19/46/262131946.db2.gz	RGVTZPQSTWKFSW-CQSZACIVSA-N	1	0	356.430	1.010	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1	ZINC000972086536	782048322	/nfs/dbraw/zinc/04/83/22/782048322.db2.gz	SIPMRAJIUARDDO-GUDVDZBRSA-N	1	0	357.498	1.722	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCO[C@H](C[NH+](C)C)C1	ZINC000545192227	490095772	/nfs/dbraw/zinc/09/57/72/490095772.db2.gz	LMUHZOVSDLKBRR-OAHLLOKOSA-N	1	0	369.429	1.242	20	30		FDEDRO
CC[C@@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)c1ccco1	ZINC000506975084	490159162	/nfs/dbraw/zinc/15/91/62/490159162.db2.gz	SORIQIABCXPPGD-ZIAGYGMSSA-N	1	0	372.429	1.574	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000508966925	490375945	/nfs/dbraw/zinc/37/59/45/490375945.db2.gz	HEYQWEWJYAJFJU-AWEZNQCLSA-N	1	0	360.462	1.439	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)c1C#N	ZINC000534792279	490410383	/nfs/dbraw/zinc/41/03/83/490410383.db2.gz	NTNWNSPGJHDUFB-CYBMUJFWSA-N	1	0	372.473	1.553	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)nn1CCC#N	ZINC000504535898	490803457	/nfs/dbraw/zinc/80/34/57/490803457.db2.gz	JDJWAWPYKABLAG-HNNXBMFYSA-N	1	0	360.462	1.280	20	30		FDEDRO
C[NH+](C)CCNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1	ZINC000542063631	490883436	/nfs/dbraw/zinc/88/34/36/490883436.db2.gz	GKUSEOJJILMKGV-UHFFFAOYSA-N	1	0	360.805	1.014	20	30		FDEDRO
C[NH+]1CCC(O)(CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1	ZINC000543766402	490946224	/nfs/dbraw/zinc/94/62/24/490946224.db2.gz	USVPXWPSTYKKBM-UHFFFAOYSA-N	1	0	372.404	1.461	20	30		FDEDRO
Cn1cc(C#N)c(NC(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)n1	ZINC000610563512	492252173	/nfs/dbraw/zinc/25/21/73/492252173.db2.gz	GYTUAFWUHKDPGB-KRWDZBQOSA-N	1	0	367.457	1.402	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)CN3CSCC3=O)CC2)cc1	ZINC000023450870	518954446	/nfs/dbraw/zinc/95/44/46/518954446.db2.gz	FZWCGPIZBZMZRO-UHFFFAOYSA-N	1	0	358.467	1.125	20	30		FDEDRO
CNC(=O)c1ccc(C[N@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)cc1	ZINC000029930994	519334095	/nfs/dbraw/zinc/33/40/95/519334095.db2.gz	PWDDHGKFMMRPCG-GOSISDBHSA-N	1	0	353.422	1.790	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1	ZINC000043292252	521847855	/nfs/dbraw/zinc/84/78/55/521847855.db2.gz	BLOWQXRAMHEHJV-UHFFFAOYSA-N	1	0	372.473	1.740	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CCn1cnc2ccccc2c1=O	ZINC000069576528	521917918	/nfs/dbraw/zinc/91/79/18/521917918.db2.gz	IFJKJGDNVPAIQZ-UHFFFAOYSA-N	1	0	355.442	1.481	20	30		FDEDRO
CN(C(=O)CN1CCC[C@H](C[NH+]2CCOCC2)C1)C1(C#N)CCCCC1	ZINC000069857230	521962567	/nfs/dbraw/zinc/96/25/67/521962567.db2.gz	CYXWPPVUYHEYSR-GOSISDBHSA-N	1	0	362.518	1.715	20	30		FDEDRO
CN1CC[NH+](CC2CCN(C(=O)COc3ccc(C#N)cc3)CC2)CC1	ZINC000057065672	521995358	/nfs/dbraw/zinc/99/53/58/521995358.db2.gz	GDJRBTKOYZIBBH-UHFFFAOYSA-N	1	0	356.470	1.423	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)CC1	ZINC000057128385	522008293	/nfs/dbraw/zinc/00/82/93/522008293.db2.gz	KVHWBOQNBLVRBL-FQEVSTJZSA-N	1	0	373.472	1.660	20	30		FDEDRO
CC(C)C(=O)NC1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000061023114	522432433	/nfs/dbraw/zinc/43/24/33/522432433.db2.gz	RUEDDPGJAIKZKG-GOSISDBHSA-N	1	0	359.470	1.729	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCC[N@H+]2CCCC[C@H]2C)cc1	ZINC000047145089	522455991	/nfs/dbraw/zinc/45/59/91/522455991.db2.gz	RGAVYWRRPJDUMT-OAHLLOKOSA-N	1	0	365.499	1.755	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC[N@H+]1CCC[C@@H](C)C1	ZINC000047147098	522456609	/nfs/dbraw/zinc/45/66/09/522456609.db2.gz	GYJLGYRTFHDSEV-CQSZACIVSA-N	1	0	368.485	1.999	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCCC[NH+]2CCCC2)cc1	ZINC000061548085	522468669	/nfs/dbraw/zinc/46/86/69/522468669.db2.gz	LYOHNOFISYYERQ-UHFFFAOYSA-N	1	0	351.472	1.367	20	30		FDEDRO
C[NH+]=C(NC[C@H](c1ccco1)N(C)C)N1CCN(C(=O)c2ccco2)CC1	ZINC000073177371	522485463	/nfs/dbraw/zinc/48/54/63/522485463.db2.gz	FFPBDVGPLVYYHW-OAHLLOKOSA-N	1	0	373.457	1.509	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(OCC#N)c1)c1ccccc1	ZINC000061782460	522493870	/nfs/dbraw/zinc/49/38/70/522493870.db2.gz	FGPUECZYUBVXGA-SFHVURJKSA-N	1	0	366.421	1.947	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCC2([NH+](C)C)CCCC2)cc1	ZINC000047388265	522506763	/nfs/dbraw/zinc/50/67/63/522506763.db2.gz	GCGJCBXWVJDEDF-UHFFFAOYSA-N	1	0	365.499	1.755	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)CC1	ZINC000073454949	522530318	/nfs/dbraw/zinc/53/03/18/522530318.db2.gz	FGMYHWNEGOBAIA-HNNXBMFYSA-N	1	0	361.490	1.455	20	30		FDEDRO
C[C@@H]1Oc2ccccc2N(CC(=O)N(CCC#N)CCC[NH+](C)C)C1=O	ZINC000064361333	522706829	/nfs/dbraw/zinc/70/68/29/522706829.db2.gz	OLRYKTMNCWMTDL-HNNXBMFYSA-N	1	0	358.442	1.494	20	30		FDEDRO
C[NH+](C)CCN1C[C@@H](C(=O)Nc2cccc(OCCCC#N)c2)CC1=O	ZINC000074224747	522723373	/nfs/dbraw/zinc/72/33/73/522723373.db2.gz	OUFXRQKREQHJBQ-HNNXBMFYSA-N	1	0	358.442	1.718	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1	ZINC000050024918	522877073	/nfs/dbraw/zinc/87/70/73/522877073.db2.gz	YALHUOLRMZVOBW-UHFFFAOYSA-N	1	0	356.426	1.589	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1	ZINC000050145936	522890956	/nfs/dbraw/zinc/89/09/56/522890956.db2.gz	HZCOQDOKECSRSU-UHFFFAOYSA-N	1	0	358.442	1.886	20	30		FDEDRO
C[NH+](C)CCN1CCC(NC(=O)NCc2ccc(OCC#N)cc2)CC1	ZINC000076056562	523015647	/nfs/dbraw/zinc/01/56/47/523015647.db2.gz	ARCRDGQHVMZALE-UHFFFAOYSA-N	1	0	359.474	1.414	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1	ZINC000076283285	523066718	/nfs/dbraw/zinc/06/67/18/523066718.db2.gz	HSYUSEXCWPUIHV-INIZCTEOSA-N	1	0	373.428	1.863	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccn(-c3ccccc3)n2)CC1	ZINC000076526352	523130136	/nfs/dbraw/zinc/13/01/36/523130136.db2.gz	JQMYKBAFJSHXFU-UHFFFAOYSA-N	1	0	353.426	1.577	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1)[N@@H+]1CCC[C@@H](C)C1	ZINC000052525286	523190992	/nfs/dbraw/zinc/19/09/92/523190992.db2.gz	HQNRQHHOIYXCDO-SJORKVTESA-N	1	0	370.501	1.905	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)CC2)cc1	ZINC000076980875	523224547	/nfs/dbraw/zinc/22/45/47/523224547.db2.gz	WTGQHNWURMGZBZ-FQEVSTJZSA-N	1	0	367.497	1.870	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CNC(=O)Cc2cccc3ccccc32)CC1	ZINC000077038892	523240779	/nfs/dbraw/zinc/24/07/79/523240779.db2.gz	DGVQYJDUJJBEOC-UHFFFAOYSA-N	1	0	364.449	1.603	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000067280746	523377997	/nfs/dbraw/zinc/37/79/97/523377997.db2.gz	UAMKWAFZLSDBCM-KRWDZBQOSA-N	1	0	370.501	1.953	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000067282480	523378165	/nfs/dbraw/zinc/37/81/65/523378165.db2.gz	IELIYADNKYJAIS-KRWDZBQOSA-N	1	0	370.501	1.952	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1	ZINC000077614225	523396719	/nfs/dbraw/zinc/39/67/19/523396719.db2.gz	UMOXNXZESJSNAI-PKOBYXMFSA-N	1	0	356.470	1.758	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[N@H+]2CC)ccc1F	ZINC000078250144	523541367	/nfs/dbraw/zinc/54/13/67/523541367.db2.gz	FNBFPMSOEPVHBT-CQSZACIVSA-N	1	0	369.462	1.504	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1	ZINC000054206055	523592468	/nfs/dbraw/zinc/59/24/68/523592468.db2.gz	UOELKBPTPYAWII-INIZCTEOSA-N	1	0	357.458	1.803	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1nnc2n1CCC2	ZINC000079057164	523697217	/nfs/dbraw/zinc/69/72/17/523697217.db2.gz	XWWRNUMBIZZODH-UHFFFAOYSA-N	1	0	367.457	1.369	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1cccc(CS(C)(=O)=O)c1	ZINC000068225718	523735883	/nfs/dbraw/zinc/73/58/83/523735883.db2.gz	KNBGSMLLQGZGRV-UHFFFAOYSA-N	1	0	351.472	1.539	20	30		FDEDRO
COC(=O)c1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)nc1	ZINC000068310342	523754750	/nfs/dbraw/zinc/75/47/50/523754750.db2.gz	WQEOLUGTUSLGMM-UHFFFAOYSA-N	1	0	366.421	1.944	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1	ZINC000271658408	674366126	/nfs/dbraw/zinc/36/61/26/674366126.db2.gz	JORYEPQHLBZXGK-AWEZNQCLSA-N	1	0	351.472	1.446	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NCC[N@H+]2CCC[C@@H](C)C2)c1	ZINC000055240966	523777508	/nfs/dbraw/zinc/77/75/08/523777508.db2.gz	YHLRPHKGPUTCSO-OAHLLOKOSA-N	1	0	365.499	1.613	20	30		FDEDRO
C[NH+]1CCN(c2cc(C(=O)N(CCC#N)Cc3ccco3)ccn2)CC1	ZINC000068423748	523784301	/nfs/dbraw/zinc/78/43/01/523784301.db2.gz	OUKVEHGAJIXLHO-UHFFFAOYSA-N	1	0	353.426	1.982	20	30		FDEDRO
C[C@H]1C[C@@H](NS(=O)(=O)N(C)CCC#N)CC[N@@H+]1Cc1ccccc1	ZINC000080275614	523863056	/nfs/dbraw/zinc/86/30/56/523863056.db2.gz	RKGOFASNONMMIS-RDJZCZTQSA-N	1	0	350.488	1.719	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[NH+](C2CCOCC2)CC1	ZINC000081032104	523932868	/nfs/dbraw/zinc/93/28/68/523932868.db2.gz	VVSZTZVLSHPUGS-UHFFFAOYSA-N	1	0	373.501	1.669	20	30		FDEDRO
N#CCC[N@@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)CC1CC1	ZINC000081065621	523937083	/nfs/dbraw/zinc/93/70/83/523937083.db2.gz	BXODKRKRKDKOJT-UHFFFAOYSA-N	1	0	350.444	1.288	20	30		FDEDRO
C=C(C)COCCNC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1	ZINC000135002350	524103643	/nfs/dbraw/zinc/10/36/43/524103643.db2.gz	ZXIMQDHTALIYMV-UHFFFAOYSA-N	1	0	352.523	1.829	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC([NH+]2CCCC2)CC1	ZINC000156571395	524104316	/nfs/dbraw/zinc/10/43/16/524104316.db2.gz	OQAJQOIBAIRZGZ-UHFFFAOYSA-N	1	0	364.427	1.715	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)NCc1ccnc(OCC[NH+](C)C)c1	ZINC000135081917	524111259	/nfs/dbraw/zinc/11/12/59/524111259.db2.gz	SSJAAWUWGXCQDO-UHFFFAOYSA-N	1	0	374.466	1.681	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3ccc(OCC#N)cc3)C2)CC1	ZINC000110743609	524133972	/nfs/dbraw/zinc/13/39/72/524133972.db2.gz	LXOXQCVTHNWFTA-SFHVURJKSA-N	1	0	356.470	1.370	20	30		FDEDRO
C[N@H+](CCCOc1cccc(C#N)c1)C1CCN(S(C)(=O)=O)CC1	ZINC000156709363	524136872	/nfs/dbraw/zinc/13/68/72/524136872.db2.gz	WMZGAXQTEMNVEP-UHFFFAOYSA-N	1	0	351.472	1.683	20	30		FDEDRO
CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000121082070	524147069	/nfs/dbraw/zinc/14/70/69/524147069.db2.gz	XDDPOLCYAPDXBW-SFHVURJKSA-N	1	0	356.470	1.915	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1	ZINC000081759404	524178924	/nfs/dbraw/zinc/17/89/24/524178924.db2.gz	IXMSFGXRCBUWEU-UHFFFAOYSA-N	1	0	352.438	1.783	20	30		FDEDRO
N#CCCn1ccc(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)n1	ZINC000172371197	524210093	/nfs/dbraw/zinc/21/00/93/524210093.db2.gz	AZALXQOEZKYMEA-UHFFFAOYSA-N	1	0	353.430	1.978	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CNC(=O)c1ccc(F)c(F)c1	ZINC000137045071	524225885	/nfs/dbraw/zinc/22/58/85/524225885.db2.gz	LGDOIACWMJBKIB-UHFFFAOYSA-N	1	0	352.385	1.389	20	30		FDEDRO
[NH2+]=C(NC[C@H](O)COc1ccc(F)cc1)N[C@H]1CCOc2ccccc21	ZINC000083033583	524233933	/nfs/dbraw/zinc/23/39/33/524233933.db2.gz	WYEMGAJZFZSHIO-YOEHRIQHSA-N	1	0	359.401	1.994	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@](C)(C[NH3+])CC(C)C)c1	ZINC000157347548	524256397	/nfs/dbraw/zinc/25/63/97/524256397.db2.gz	FCJYUBMHBMSJMT-QGZVFWFLSA-N	1	0	353.488	1.644	20	30		FDEDRO
C=CCCS(=O)(=O)N[C@H]1CCN(Cc2cc(OC)cc(OC)c2)C1	ZINC000121505540	524277428	/nfs/dbraw/zinc/27/74/28/524277428.db2.gz	NUBJQYMJSRYUNF-HNNXBMFYSA-N	1	0	354.472	1.774	20	30		FDEDRO
CC(C)(C#N)c1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1	ZINC000173210200	524345193	/nfs/dbraw/zinc/34/51/93/524345193.db2.gz	QVFKSSNZEUOKPU-QGZVFWFLSA-N	1	0	352.438	1.899	20	30		FDEDRO
CCC[C@@H]1CN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC[N@@H+]1CCOC	ZINC000121832142	524378695	/nfs/dbraw/zinc/37/86/95/524378695.db2.gz	RYONPXXVEGOGEP-SCTDSRPQSA-N	1	0	352.523	1.862	20	30		FDEDRO
CC[C@H](CO)[NH+]1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1	ZINC000173737467	524449168	/nfs/dbraw/zinc/44/91/68/524449168.db2.gz	WHASLPBADVKYKO-OAHLLOKOSA-N	1	0	350.850	1.539	20	30		FDEDRO
CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@H](O)COc3ccc(CC#N)cc3)[C@@H]2C1	ZINC000158464978	524473325	/nfs/dbraw/zinc/47/33/25/524473325.db2.gz	WMPLXIBBLLLQNP-NBYUQASBSA-N	1	0	360.454	1.761	20	30		FDEDRO
CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2ccccc2C#N)CC1	ZINC000122256507	524492043	/nfs/dbraw/zinc/49/20/43/524492043.db2.gz	XBYQKTDKQZJLLQ-OAHLLOKOSA-N	1	0	350.488	1.110	20	30		FDEDRO
CC[NH+]=C(NC[C@H](O)c1ccccc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158583006	524493919	/nfs/dbraw/zinc/49/39/19/524493919.db2.gz	YOSGLGIJKKQLIP-HNNXBMFYSA-N	1	0	353.488	1.195	20	30		FDEDRO
C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000112550293	524504138	/nfs/dbraw/zinc/50/41/38/524504138.db2.gz	DDVQOJVDGYDWJX-MNOVXSKESA-N	1	0	356.455	1.632	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2COc3cc(OC)ccc3C2)c1C#N	ZINC000089673901	524518099	/nfs/dbraw/zinc/51/80/99/524518099.db2.gz	FFHRUOWBZYKHPO-ZDUSSCGKSA-N	1	0	369.425	1.632	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)N1CCc2sccc2C1	ZINC000089942732	524555160	/nfs/dbraw/zinc/55/51/60/524555160.db2.gz	SJQFHQVOPFMHLX-UHFFFAOYSA-N	1	0	358.471	1.374	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Cc2cccc(OCC(=O)NC)c2)CC1	ZINC000122611440	524574283	/nfs/dbraw/zinc/57/42/83/524574283.db2.gz	GXPQECQGQMPKQP-UHFFFAOYSA-N	1	0	359.470	1.511	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)n1	ZINC000091193899	524655636	/nfs/dbraw/zinc/65/56/36/524655636.db2.gz	UMRWBKFANWEWFM-INIZCTEOSA-N	1	0	374.489	1.901	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)n1	ZINC000091210900	524662137	/nfs/dbraw/zinc/66/21/37/524662137.db2.gz	WZVDLPYPDZUQCY-RBSFLKMASA-N	1	0	374.489	1.757	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)n1	ZINC000091221777	524667293	/nfs/dbraw/zinc/66/72/93/524667293.db2.gz	FHZJNNYYPHGXAO-CQSZACIVSA-N	1	0	358.446	1.407	20	30		FDEDRO
CC[N@H+](CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1)C1CC1	ZINC000151913639	524726055	/nfs/dbraw/zinc/72/60/55/524726055.db2.gz	LFZLHWJEPOXANK-INIZCTEOSA-N	1	0	358.467	1.883	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@](C)(CO)C2CCCCC2)CC1	ZINC000091581013	524730571	/nfs/dbraw/zinc/73/05/71/524730571.db2.gz	UBTLFHHJZDXLPE-UYAOXDASSA-N	1	0	364.534	1.600	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)CC1	ZINC000091621995	524742434	/nfs/dbraw/zinc/74/24/34/524742434.db2.gz	JIXAPYDFJOFSGI-IRXDYDNUSA-N	1	0	358.490	1.281	20	30		FDEDRO
C=C(C)COCCNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1	ZINC000092762299	524916017	/nfs/dbraw/zinc/91/60/17/524916017.db2.gz	MSIAELJUEVPKPH-UHFFFAOYSA-N	1	0	359.470	1.972	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H](C(=O)NC)C1)C(C)C	ZINC000114931451	524918404	/nfs/dbraw/zinc/91/84/04/524918404.db2.gz	OKFDZEKRSJCCBU-IAGOWNOFSA-N	1	0	350.507	1.853	20	30		FDEDRO
C[C@@H](NC(=O)N1CC(Oc2ccc(C#N)cc2)C1)[C@H](C)N1CCOCC1	ZINC000152572672	524932180	/nfs/dbraw/zinc/93/21/80/524932180.db2.gz	YJGZTXZBJSOOCH-CABCVRRESA-N	1	0	358.442	1.440	20	30		FDEDRO
[NH2+]=C(NCCN1CCCS1(=O)=O)Nc1ccccc1OC(F)(F)F	ZINC000160704288	524953422	/nfs/dbraw/zinc/95/34/22/524953422.db2.gz	MEOHAFYTJIOEDV-UHFFFAOYSA-N	1	0	366.365	1.347	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1cc(I)c[nH]1	ZINC000115345781	524971889	/nfs/dbraw/zinc/97/18/89/524971889.db2.gz	LVIPWCZPEIDDFP-UHFFFAOYSA-N	1	0	374.226	1.927	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CCc2ccc(C#N)cc2)CC1	ZINC000152795422	525007599	/nfs/dbraw/zinc/00/75/99/525007599.db2.gz	VZZSTTIADIMEHB-GOSISDBHSA-N	1	0	354.454	1.256	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c1	ZINC000124558075	525018544	/nfs/dbraw/zinc/01/85/44/525018544.db2.gz	QTFSAAVLXKVXMK-GDBMZVCRSA-N	1	0	351.472	1.398	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2)[C@H](C)C1	ZINC000115591909	525031801	/nfs/dbraw/zinc/03/18/01/525031801.db2.gz	MFEMEGQUEFWHEX-CRAIPNDOSA-N	1	0	365.499	1.974	20	30		FDEDRO
COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)CC2	ZINC000124692872	525053990	/nfs/dbraw/zinc/05/39/90/525053990.db2.gz	XEGZFJMJGYADRP-JSGCOSHPSA-N	1	0	354.414	1.228	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2ccnc3c(C(=O)OCC)cnn32)CC1	ZINC000153117674	525110499	/nfs/dbraw/zinc/11/04/99/525110499.db2.gz	IXRMDUBCQRRJMI-UHFFFAOYSA-N	1	0	371.441	1.676	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153270699	525163184	/nfs/dbraw/zinc/16/31/84/525163184.db2.gz	UCVIWEXCKJCFQW-LBPRGKRZSA-N	1	0	351.414	1.627	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N(C)C2CCN(S(C)(=O)=O)CC2)CC1	ZINC000153320703	525177902	/nfs/dbraw/zinc/17/79/02/525177902.db2.gz	ZQORGMRCUJCWIC-UHFFFAOYSA-N	1	0	372.535	1.092	20	30		FDEDRO
C#CCOCCC(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1	ZINC000153379568	525196026	/nfs/dbraw/zinc/19/60/26/525196026.db2.gz	ADMXNYZPPQZZFW-GOSISDBHSA-N	1	0	357.454	1.831	20	30		FDEDRO
C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C1(N2CCOCC2)CCCC1	ZINC000125465797	525202780	/nfs/dbraw/zinc/20/27/80/525202780.db2.gz	CWIIULWQDRVFLG-HNNXBMFYSA-N	1	0	363.483	1.870	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1	ZINC000101549385	525229611	/nfs/dbraw/zinc/22/96/11/525229611.db2.gz	DVTXUZVMRUEFLI-HZPDHXFCSA-N	1	0	350.507	1.867	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1	ZINC000153654261	525278642	/nfs/dbraw/zinc/27/86/42/525278642.db2.gz	NAAYANRXYWQYQN-HKUYNNGSSA-N	1	0	366.465	1.763	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1	ZINC000177470434	525295302	/nfs/dbraw/zinc/29/53/02/525295302.db2.gz	OUNWKLVGLVHSGQ-JKSUJKDBSA-N	1	0	363.483	1.201	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C	ZINC000153730162	525303058	/nfs/dbraw/zinc/30/30/58/525303058.db2.gz	ASOMWEJWVAGOPY-GOSISDBHSA-N	1	0	368.485	1.949	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccccc2CNS(=O)(=O)CCCC#N)CC1	ZINC000104112011	525393218	/nfs/dbraw/zinc/39/32/18/525393218.db2.gz	CFOCFZQEBFWGID-UHFFFAOYSA-N	1	0	364.515	1.547	20	30		FDEDRO
C=CCCOCCNC(=O)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1	ZINC000127313564	525408494	/nfs/dbraw/zinc/40/84/94/525408494.db2.gz	LRXBXJNMCPALPV-MOPGFXCFSA-N	1	0	359.470	1.874	20	30		FDEDRO
CCCC[N@H+](C)CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000127484177	525428513	/nfs/dbraw/zinc/42/85/13/525428513.db2.gz	CRXRGJJXUOGQAH-CQSZACIVSA-N	1	0	366.487	1.073	20	30		FDEDRO
N#Cc1ncn(CC(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)n1	ZINC000178539740	525444251	/nfs/dbraw/zinc/44/42/51/525444251.db2.gz	HNVMPFRGJMLWQQ-UHFFFAOYSA-N	1	0	372.860	1.928	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2cccc(C#N)c2C)CC1	ZINC000178585427	525448446	/nfs/dbraw/zinc/44/84/46/525448446.db2.gz	CYPKILKCGLAHTF-UHFFFAOYSA-N	1	0	357.458	1.885	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC[N@@H+](C)[C@@H](C)CC)cc1	ZINC000118116427	525460319	/nfs/dbraw/zinc/46/03/19/525460319.db2.gz	VNSBOXXSWHGXHX-AWEZNQCLSA-N	1	0	360.458	1.387	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)c1C#N	ZINC000128194023	525514430	/nfs/dbraw/zinc/51/44/30/525514430.db2.gz	OZNFTHVLGCYXED-HNNXBMFYSA-N	1	0	372.429	1.419	20	30		FDEDRO
CC[NH+](CC)CCN(CCOC)C(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000105730085	525531525	/nfs/dbraw/zinc/53/15/25/525531525.db2.gz	XHAJWZWKVHFEFT-UHFFFAOYSA-N	1	0	364.421	1.453	20	30		FDEDRO
C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(S(=O)(=O)CC2(C#N)CC2)CC1	ZINC000165032339	525541145	/nfs/dbraw/zinc/54/11/45/525541145.db2.gz	UYXWKYNEIBUIQJ-HOTGVXAUSA-N	1	0	354.520	1.110	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2cc(C3CC3)nc3c2c(=O)[nH]n3C)CC1	ZINC000106036418	525554332	/nfs/dbraw/zinc/55/43/32/525554332.db2.gz	WYBSUZZDXBMZIC-UHFFFAOYSA-N	1	0	369.469	1.909	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)CN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000154545495	525568622	/nfs/dbraw/zinc/56/86/22/525568622.db2.gz	FZFDTOYDNCQPDD-QRVBRYPASA-N	1	0	363.550	1.485	20	30		FDEDRO
COc1cc(O)c(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1OC	ZINC000179439924	525584425	/nfs/dbraw/zinc/58/44/25/525584425.db2.gz	DOJYQMAJMASJSB-UHFFFAOYSA-N	1	0	354.410	1.998	20	30		FDEDRO
C#CCOc1ccccc1C[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1	ZINC000129419308	525652298	/nfs/dbraw/zinc/65/22/98/525652298.db2.gz	DKSIBIJATQVWBE-OAHLLOKOSA-N	1	0	365.476	1.685	20	30		FDEDRO
Cn1cc(C[NH2+]C2CCN(S(C)(=O)=O)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000180046690	525652975	/nfs/dbraw/zinc/65/29/75/525652975.db2.gz	IGYMHBDKZVFOJI-UHFFFAOYSA-N	1	0	373.482	1.472	20	30		FDEDRO
C[C@H](CNC(=O)Nc1ccccc1O[C@@H](C)C#N)C[NH+]1CCN(C)CC1	ZINC000180070395	525658813	/nfs/dbraw/zinc/65/88/13/525658813.db2.gz	QHWAOEJXYJKLTK-CVEARBPZSA-N	1	0	359.474	1.982	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCCCN2C(=O)COc3ccccc32)CC1	ZINC000154863435	525663616	/nfs/dbraw/zinc/66/36/16/525663616.db2.gz	MQVPCJBPGZWGMV-UHFFFAOYSA-N	1	0	355.438	1.264	20	30		FDEDRO
N#CC1(c2ccc(C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)cc2)CC1	ZINC000180260871	525680326	/nfs/dbraw/zinc/68/03/26/525680326.db2.gz	ZGKTUWKEDHYJSI-UHFFFAOYSA-N	1	0	366.465	1.622	20	30		FDEDRO
CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]Cc2ccc(C#N)cc2)c1	ZINC000106246558	525684934	/nfs/dbraw/zinc/68/49/34/525684934.db2.gz	PEOIXIIWJMBAJH-CYBMUJFWSA-N	1	0	372.450	1.583	20	30		FDEDRO
N#C[C@H]1CN(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CCO1	ZINC000106331843	525695399	/nfs/dbraw/zinc/69/53/99/525695399.db2.gz	OSNPYFIODVRHSR-IBGZPJMESA-N	1	0	371.485	1.128	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1	ZINC000180426224	525707601	/nfs/dbraw/zinc/70/76/01/525707601.db2.gz	FQXNCJWKKDXYPA-MAUKXSAKSA-N	1	0	373.457	1.938	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2ccc(C#N)cc2)cc1	ZINC000106418408	525722371	/nfs/dbraw/zinc/72/23/71/525722371.db2.gz	XKKDQZCFVVQGCY-UHFFFAOYSA-N	1	0	350.422	1.780	20	30		FDEDRO
C=C(C)CN(C)C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC	ZINC000180665346	525739087	/nfs/dbraw/zinc/73/90/87/525739087.db2.gz	BOBNFAXYEWIHGO-UHFFFAOYSA-N	1	0	374.485	1.810	20	30		FDEDRO
Cn1nccc1CCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000119461203	525752702	/nfs/dbraw/zinc/75/27/02/525752702.db2.gz	NTHOXBLULWYALU-UHFFFAOYSA-N	1	0	351.454	1.959	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N[C@@H](CC)[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000180823208	525759317	/nfs/dbraw/zinc/75/93/17/525759317.db2.gz	JUYDZJWYJXOEQM-ROUUACIJSA-N	1	0	374.485	1.267	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)NCc1ccc(C#N)cc1F)[NH+]1CCN(C)CC1	ZINC000170935037	525778912	/nfs/dbraw/zinc/77/89/12/525778912.db2.gz	QXXJFSDMKVMRMA-GOSISDBHSA-N	1	0	361.465	1.769	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)Oc3ccccc3C#N)C2)CC1	ZINC000106803967	525792390	/nfs/dbraw/zinc/79/23/90/525792390.db2.gz	WSTNQDSBLRWBMJ-FUHWJXTLSA-N	1	0	356.470	1.564	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1	ZINC000181031265	525794040	/nfs/dbraw/zinc/79/40/40/525794040.db2.gz	LVDFVVHPCLQHIU-AWEZNQCLSA-N	1	0	353.488	1.670	20	30		FDEDRO
C#CCSCC[NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000181092868	525806268	/nfs/dbraw/zinc/80/62/68/525806268.db2.gz	VDNYANLSJBLDLI-HNNXBMFYSA-N	1	0	368.524	1.725	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H]2CC(C)(C)OC2(C)C)CC1	ZINC000119667381	525819973	/nfs/dbraw/zinc/81/99/73/525819973.db2.gz	WHOBCUQESOQNKI-JKSUJKDBSA-N	1	0	350.507	1.614	20	30		FDEDRO
C=CCn1c(SCCCN2CC[NH+](C)CC2)nnc1-c1cnccn1	ZINC000131059755	525822879	/nfs/dbraw/zinc/82/28/79/525822879.db2.gz	NQIBWFHVIOAZTG-UHFFFAOYSA-N	1	0	359.503	1.651	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000106946036	525832752	/nfs/dbraw/zinc/83/27/52/525832752.db2.gz	OCXFPBGIAQJLSN-GFCCVEGCSA-N	1	0	367.400	1.917	20	30		FDEDRO
COc1ccc(CON=C(N)c2ccccc2C[NH+]2CCC(O)CC2)cn1	ZINC000131464853	525862053	/nfs/dbraw/zinc/86/20/53/525862053.db2.gz	FYIHFVZGNFLEQT-UHFFFAOYSA-N	1	0	370.453	1.884	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN([C@@H](C)C(=O)Nc3ccccc3C#N)C2)CC1	ZINC000107369347	525877094	/nfs/dbraw/zinc/87/70/94/525877094.db2.gz	GWWKBAYOKOUQGD-WMZOPIPTSA-N	1	0	355.486	1.597	20	30		FDEDRO
COc1ccc(CN2CCN(c3nccnc3C#N)C[C@H]2C)cc1[N+](=O)[O-]	ZINC000155612014	525920845	/nfs/dbraw/zinc/92/08/45/525920845.db2.gz	IOIMJQPOIAFFIL-CYBMUJFWSA-N	1	0	368.397	1.976	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1	ZINC000181772044	525924451	/nfs/dbraw/zinc/92/44/51/525924451.db2.gz	TVTNSBYHDQZXBH-CABCVRRESA-N	1	0	356.426	1.613	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1	ZINC000181772075	525925459	/nfs/dbraw/zinc/92/54/59/525925459.db2.gz	TVTNSBYHDQZXBH-HUUCEWRRSA-N	1	0	356.426	1.613	20	30		FDEDRO
N#CCSCC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000108178439	525937876	/nfs/dbraw/zinc/93/78/76/525937876.db2.gz	CSDIRCMWIOPBCO-INIZCTEOSA-N	1	0	360.483	1.257	20	30		FDEDRO
CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N(C)[C@@H](C)CC#N)c2)CC1	ZINC000132196342	525945895	/nfs/dbraw/zinc/94/58/95/525945895.db2.gz	GXFSAIXPJAFBTL-INIZCTEOSA-N	1	0	371.485	1.916	20	30		FDEDRO
N#Cc1cccc(OC2CC[NH+](C[C@@H](O)COC3CCOCC3)CC2)c1	ZINC000120309022	526025460	/nfs/dbraw/zinc/02/54/60/526025460.db2.gz	WHJKQNMBSZQSII-QGZVFWFLSA-N	1	0	360.454	1.958	20	30		FDEDRO
Cc1ccc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1S(=O)(=O)NCC#N	ZINC000108796464	526027542	/nfs/dbraw/zinc/02/75/42/526027542.db2.gz	HEYFVPWFKHKYGT-CYBMUJFWSA-N	1	0	364.471	1.009	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H](CC)Nc2nnnn2-c2ccccc2)CC1	ZINC000171565934	526039260	/nfs/dbraw/zinc/03/92/60/526039260.db2.gz	LJVXQFJAUFHQAT-QGZVFWFLSA-N	1	0	369.473	1.619	20	30		FDEDRO
CNC(=O)Cn1cc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1	ZINC000182102698	526056592	/nfs/dbraw/zinc/05/65/92/526056592.db2.gz	CAAMXMPMQMPIFE-UHFFFAOYSA-N	1	0	352.442	1.577	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)CC1	ZINC000171714784	526088735	/nfs/dbraw/zinc/08/87/35/526088735.db2.gz	GCJAGORAZJCBQF-LJQANCHMSA-N	1	0	355.482	1.987	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C2CCN(S(=O)(=O)CCCC)CC2)CC1	ZINC000171718125	526090953	/nfs/dbraw/zinc/09/09/53/526090953.db2.gz	XLLHNXLLGYOECU-UHFFFAOYSA-N	1	0	371.547	1.595	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1	ZINC000171719683	526091469	/nfs/dbraw/zinc/09/14/69/526091469.db2.gz	JQBMQRWRGNXBDF-HNNXBMFYSA-N	1	0	357.454	1.815	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)NC)ccc2C)CC1	ZINC000171721375	526094416	/nfs/dbraw/zinc/09/44/16/526094416.db2.gz	UXIKTCCMXDGIDD-UHFFFAOYSA-N	1	0	351.472	1.283	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1	ZINC000171727724	526095683	/nfs/dbraw/zinc/09/56/83/526095683.db2.gz	VDHWEMQWUSYAKC-UHFFFAOYSA-N	1	0	363.483	1.508	20	30		FDEDRO
CCCC[N@H+](CCOC)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000109334160	526111141	/nfs/dbraw/zinc/11/11/41/526111141.db2.gz	QCPVZBNMNCGUSU-UHFFFAOYSA-N	1	0	363.462	1.252	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1	ZINC000134095555	526122323	/nfs/dbraw/zinc/12/23/23/526122323.db2.gz	MYPPXJLPHZJHOV-CABCVRRESA-N	1	0	358.442	1.716	20	30		FDEDRO
C[NH+]=C(NCC(=O)NC(C)C)N[C@@H]1CCN(c2cccc(Cl)c2)C1	ZINC000156391144	526125739	/nfs/dbraw/zinc/12/57/39/526125739.db2.gz	WXBJWNAHRCTQMQ-CQSZACIVSA-N	1	0	351.882	1.608	20	30		FDEDRO
CC[NH+]=C(NCc1cn(C)nc1C(F)(F)F)N1CCN(C(C)=O)CC1	ZINC000134211192	526137336	/nfs/dbraw/zinc/13/73/36/526137336.db2.gz	ACCQMEFLSLAYAG-UHFFFAOYSA-N	1	0	360.384	1.069	20	30		FDEDRO
COc1cc(/C=C/C(=O)N2CCN(CC[NH+](C)C)CC2)ccc1OCC#N	ZINC000171881054	526164707	/nfs/dbraw/zinc/16/47/07/526164707.db2.gz	QVOPAZHDVWVVBM-FNORWQNLSA-N	1	0	372.469	1.317	20	30		FDEDRO
COC(=O)CN(C)C(=O)CC[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000109827822	526193842	/nfs/dbraw/zinc/19/38/42/526193842.db2.gz	UAYOUZOLNYGTMJ-UHFFFAOYSA-N	1	0	372.469	1.087	20	30		FDEDRO
CCN(CC#N)C(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C	ZINC000134875580	526195360	/nfs/dbraw/zinc/19/53/60/526195360.db2.gz	KIYBNGQKBXSJAD-UHFFFAOYSA-N	1	0	366.487	1.211	20	30		FDEDRO
CCC[N@H+](CC)CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000120878287	526208222	/nfs/dbraw/zinc/20/82/22/526208222.db2.gz	FMAVQFXMMDEQJV-CQSZACIVSA-N	1	0	366.487	1.073	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(c3nnc(Cl)cc3C(N)=O)CC2)cc1	ZINC000110100959	526221153	/nfs/dbraw/zinc/22/11/53/526221153.db2.gz	PBMSNKOGNBKBCU-UHFFFAOYSA-N	1	0	370.844	1.813	20	30		FDEDRO
C[C@H](C#N)CNC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000182651207	535839496	/nfs/dbraw/zinc/83/94/96/535839496.db2.gz	PQZIIDIQZOGQLZ-PBHICJAKSA-N	1	0	357.458	1.343	20	30		FDEDRO
COc1cccc([C@@H]2[C@@H](NC(=O)Cn3cnc(C#N)n3)CC[N@@H+]2C2CC2)c1	ZINC000183254648	535951269	/nfs/dbraw/zinc/95/12/69/535951269.db2.gz	IRGFXNCUWSYVBL-QFBILLFUSA-N	1	0	366.425	1.253	20	30		FDEDRO
CC[C@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC[N@@H+]1Cc1ccccc1	ZINC000184006270	536079263	/nfs/dbraw/zinc/07/92/63/536079263.db2.gz	ZJDXCMBIPFQOJQ-INIZCTEOSA-N	1	0	367.453	1.056	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)/C=C/c1ccc(OCC#N)cc1	ZINC000184406410	536146738	/nfs/dbraw/zinc/14/67/38/536146738.db2.gz	WFVVSKAMIMQCIE-ZGRWHYIRSA-N	1	0	356.470	1.744	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1	ZINC000184639559	536171601	/nfs/dbraw/zinc/17/16/01/536171601.db2.gz	QVLFWNLBNBQMPX-CQSZACIVSA-N	1	0	353.430	1.992	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1	ZINC000185093630	536198179	/nfs/dbraw/zinc/19/81/79/536198179.db2.gz	LKVNFAOEUFUGIF-INIZCTEOSA-N	1	0	357.454	1.731	20	30		FDEDRO
C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(F)cc1C#N	ZINC000185333261	536205702	/nfs/dbraw/zinc/20/57/02/536205702.db2.gz	ZHYJLALWDJQEHY-ZDUSSCGKSA-N	1	0	354.451	1.002	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C#N)cc2OC)[C@H](C)C1	ZINC000185755776	536216769	/nfs/dbraw/zinc/21/67/69/536216769.db2.gz	NTUGNOSWPRPNES-UKRRQHHQSA-N	1	0	351.472	1.918	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000185905118	536221063	/nfs/dbraw/zinc/22/10/63/536221063.db2.gz	ZKCWMBWRWORJPU-GDBMZVCRSA-N	1	0	364.465	1.875	20	30		FDEDRO
C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000185936606	536222095	/nfs/dbraw/zinc/22/20/95/536222095.db2.gz	FTSPOVNCHVZLHC-CYBMUJFWSA-N	1	0	370.906	1.516	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ncn(C3CCCCC3)n2)CC1	ZINC000185975017	536222979	/nfs/dbraw/zinc/22/29/79/536222979.db2.gz	MWYQTWQQSKXXRO-UHFFFAOYSA-N	1	0	360.462	1.488	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)ccc1F	ZINC000186694349	536241516	/nfs/dbraw/zinc/24/15/16/536241516.db2.gz	JHHJLLGDUCLUJX-RISCZKNCSA-N	1	0	355.435	1.018	20	30		FDEDRO
CC(C)CCNC(=[NH2+])NCc1ccc(N2CCCS2(=O)=O)c(F)c1	ZINC000187046869	536253557	/nfs/dbraw/zinc/25/35/57/536253557.db2.gz	OBNHGTXVNQIHHL-UHFFFAOYSA-N	1	0	356.467	1.816	20	30		FDEDRO
CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000187719776	536272656	/nfs/dbraw/zinc/27/26/56/536272656.db2.gz	AFNHVVQTNSCZLB-UHFFFAOYSA-N	1	0	366.368	1.651	20	30		FDEDRO
CS(=O)(=O)c1cccnc1CNC(=[NH2+])N[C@H]1CCOc2ccccc21	ZINC000262810883	536907659	/nfs/dbraw/zinc/90/76/59/536907659.db2.gz	UIUULBFMKGLSFZ-ZDUSSCGKSA-N	1	0	360.439	1.413	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1	ZINC000266613788	536910469	/nfs/dbraw/zinc/91/04/69/536910469.db2.gz	AIAVOSLKXXDJCY-MRXNPFEDSA-N	1	0	370.453	1.840	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCc2cccc(C#N)c2)CC1=O	ZINC000246345409	536932658	/nfs/dbraw/zinc/93/26/58/536932658.db2.gz	CMHKQSYBECWTTG-ROUUACIJSA-N	1	0	354.454	1.507	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ncccc1OCCCC#N	ZINC000188768693	536946337	/nfs/dbraw/zinc/94/63/37/536946337.db2.gz	RZKXZHYNRFVFRY-HNNXBMFYSA-N	1	0	360.462	1.522	20	30		FDEDRO
CC(C)[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1nc(-c2nc[nH]n2)no1	ZINC000188816747	536955506	/nfs/dbraw/zinc/95/55/06/536955506.db2.gz	XQSMVNNBJGUKOM-KBPBESRZSA-N	1	0	353.386	1.747	20	30		FDEDRO
CCN(CCC[NH+](C)C)C(=O)CCc1c(C)nc2c(C#N)cnn2c1C	ZINC000188958049	536977101	/nfs/dbraw/zinc/97/71/01/536977101.db2.gz	BGDZSSZBEAVCHZ-UHFFFAOYSA-N	1	0	356.474	1.951	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000246621402	536991668	/nfs/dbraw/zinc/99/16/68/536991668.db2.gz	MXZHGEJEZKFXBZ-AEFFLSMTSA-N	1	0	356.470	1.929	20	30		FDEDRO
C[NH+]=C(NCCNc1nc2ccccc2s1)N1CCN(C(C)=O)CC1	ZINC000263242487	536999202	/nfs/dbraw/zinc/99/92/02/536999202.db2.gz	LSYLOSVOIPEICH-UHFFFAOYSA-N	1	0	360.487	1.448	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1	ZINC000268171441	537011631	/nfs/dbraw/zinc/01/16/31/537011631.db2.gz	LSCFINSWIJSLEA-CXAGYDPISA-N	1	0	370.453	1.140	20	30		FDEDRO
Cc1cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)ccc1-n1cncn1	ZINC000246779562	537024445	/nfs/dbraw/zinc/02/44/45/537024445.db2.gz	QDHNOYBQUQRBIQ-MRXNPFEDSA-N	1	0	374.452	1.948	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1	ZINC000247047911	537074012	/nfs/dbraw/zinc/07/40/12/537074012.db2.gz	SKRXEXRXXUGPGC-YESZJQIVSA-N	1	0	350.507	1.973	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)nc2)[C@@H](C)C1	ZINC000247201117	537094378	/nfs/dbraw/zinc/09/43/78/537094378.db2.gz	LTTFSIIPHRHFTQ-YOEHRIQHSA-N	1	0	366.487	1.369	20	30		FDEDRO
CCn1ncc2ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc21	ZINC000189999627	537125534	/nfs/dbraw/zinc/12/55/34/537125534.db2.gz	PGIWGYOICUPNDX-UHFFFAOYSA-N	1	0	370.457	1.689	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)CC1	ZINC000264708743	537147936	/nfs/dbraw/zinc/14/79/36/537147936.db2.gz	SAOUHZPPLBRPBI-INIZCTEOSA-N	1	0	359.857	1.907	20	30		FDEDRO
C#CCNC(=O)c1ccc(N2CC[NH+](CCc3cccs3)CC2)nc1	ZINC000264879948	537149187	/nfs/dbraw/zinc/14/91/87/537149187.db2.gz	QTTLRSNRLVTVDX-UHFFFAOYSA-N	1	0	354.479	1.871	20	30		FDEDRO
CCOc1ccc(CNC(NCCN2CCOCC2)=[NH+]C)cc1OC	ZINC000264979583	537150752	/nfs/dbraw/zinc/15/07/52/537150752.db2.gz	KGYWNGOPRDULCM-UHFFFAOYSA-N	1	0	350.463	1.091	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1	ZINC000248231118	537171286	/nfs/dbraw/zinc/17/12/86/537171286.db2.gz	BTFNKWUYVHRLAU-BRSBDYLESA-N	1	0	350.507	1.568	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCSC[C@H](C)C3)CC2)o1	ZINC000190407490	537171881	/nfs/dbraw/zinc/17/18/81/537171881.db2.gz	PRFMNJMUVPPJJI-CYBMUJFWSA-N	1	0	363.487	1.188	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1	ZINC000190720376	537183885	/nfs/dbraw/zinc/18/38/85/537183885.db2.gz	BDUFOOUTWBQIBO-UHFFFAOYSA-N	1	0	374.485	1.034	20	30		FDEDRO
C[C@H]([NH3+])[C@H](C)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1	ZINC000192009934	537218177	/nfs/dbraw/zinc/21/81/77/537218177.db2.gz	OCIYWLLWKMVWLO-RSQNVRKYSA-N	1	0	352.460	1.421	20	30		FDEDRO
C[C@H](CN1CCOCC1)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000193586693	537251718	/nfs/dbraw/zinc/25/17/18/537251718.db2.gz	UTDQNMMKGVLHNT-QGZVFWFLSA-N	1	0	373.501	1.352	20	30		FDEDRO
C[C@@H](NC(=[NH2+])NCCNS(C)(=O)=O)c1ccc(Cl)cc1Cl	ZINC000261990296	537253676	/nfs/dbraw/zinc/25/36/76/537253676.db2.gz	LRLZMTIFWFOXRT-MRVPVSSYSA-N	1	0	353.275	1.508	20	30		FDEDRO
C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)Cn3cnc(C#N)n3)cc2)C[C@H](C)O1	ZINC000193719913	537254921	/nfs/dbraw/zinc/25/49/21/537254921.db2.gz	ZMOBMWZQOJBOMO-GASCZTMLSA-N	1	0	368.441	1.075	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nc1	ZINC000292973708	537268076	/nfs/dbraw/zinc/26/80/76/537268076.db2.gz	GXRAAGAJPJDHQT-QGZVFWFLSA-N	1	0	363.421	1.673	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1	ZINC000278277898	537289169	/nfs/dbraw/zinc/28/91/69/537289169.db2.gz	GAEVHEJIXAJRBW-AWEZNQCLSA-N	1	0	374.441	1.122	20	30		FDEDRO
CC(=O)Nc1c[nH]nc1[C@H]1CCCN(CC(=O)N[C@](C)(C#N)C2CC2)C1	ZINC000332853847	537292989	/nfs/dbraw/zinc/29/29/89/537292989.db2.gz	WBPKZPPUXPXWNJ-SCLBCKFNSA-N	1	0	358.446	1.356	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000272547865	537295576	/nfs/dbraw/zinc/29/55/76/537295576.db2.gz	MXEMVCFRVIQHNM-FMKPAKJESA-N	1	0	356.426	1.659	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C	ZINC000194591964	537298424	/nfs/dbraw/zinc/29/84/24/537298424.db2.gz	QCTPOCUAHOKQSN-UHFFFAOYSA-N	1	0	372.450	1.828	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CC[C@@]3(C2)C(=O)Nc2ccccc23)CC1	ZINC000363777366	537309939	/nfs/dbraw/zinc/30/99/39/537309939.db2.gz	IXGKWFSKTRTJIO-FQEVSTJZSA-N	1	0	354.454	1.942	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1[C@H]1CCN(c2sccc2C#N)C1=O	ZINC000278410802	537317737	/nfs/dbraw/zinc/31/77/37/537317737.db2.gz	HKNOHZSARYQPEV-PBHICJAKSA-N	1	0	374.510	1.910	20	30		FDEDRO
C#CCN(C(=O)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1)C1CC1	ZINC000276178316	537317992	/nfs/dbraw/zinc/31/79/92/537317992.db2.gz	LTETXYBMKXIXRC-UHFFFAOYSA-N	1	0	370.453	1.448	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C	ZINC000276184558	537323041	/nfs/dbraw/zinc/32/30/41/537323041.db2.gz	XUDWXHWCIBAYNS-CZUORRHYSA-N	1	0	361.417	1.575	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c(F)c1	ZINC000282667262	537331222	/nfs/dbraw/zinc/33/12/22/537331222.db2.gz	ACPRCOKESRSFRK-CQSZACIVSA-N	1	0	361.392	1.971	20	30		FDEDRO
N#C[C@H]1CC[C@@H]([NH2+]C2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)C1	ZINC000333065299	537346625	/nfs/dbraw/zinc/34/66/25/537346625.db2.gz	JFTDYBAMNZDGNM-QWHCGFSZSA-N	1	0	363.439	1.113	20	30		FDEDRO
CCC[C@@]1(COC)CCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000194931244	537350853	/nfs/dbraw/zinc/35/08/53/537350853.db2.gz	LYSPOPFTBPRMRE-ICSRJNTNSA-N	1	0	364.534	1.960	20	30		FDEDRO
CC1(C)C[N@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C[C@@H]1O	ZINC000279708031	537353995	/nfs/dbraw/zinc/35/39/95/537353995.db2.gz	HRADCGRMZLZHIN-ROUUACIJSA-N	1	0	374.460	1.237	20	30		FDEDRO
C=C(C)Cn1c(CC2CC2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1	ZINC000283598795	537382902	/nfs/dbraw/zinc/38/29/02/537382902.db2.gz	LWEVZBUBMFYEKA-UHFFFAOYSA-N	1	0	374.533	1.797	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Cc1ccccc1S(C)(=O)=O	ZINC000283931607	537393998	/nfs/dbraw/zinc/39/39/98/537393998.db2.gz	MGYOYRIMYUJNOX-UHFFFAOYSA-N	1	0	351.472	1.327	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N([C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)C1=O	ZINC000348608957	537397387	/nfs/dbraw/zinc/39/73/87/537397387.db2.gz	DQUKPGHAQWMROI-FUHWJXTLSA-N	1	0	372.469	1.320	20	30		FDEDRO
CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000276291381	537398242	/nfs/dbraw/zinc/39/82/42/537398242.db2.gz	URZRZFXGXHIRPU-IRXDYDNUSA-N	1	0	352.438	1.533	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N(CCO)C1CCC1)C(C)C	ZINC000284238895	537404853	/nfs/dbraw/zinc/40/48/53/537404853.db2.gz	YOEFIHDXINKARS-QGZVFWFLSA-N	1	0	351.491	1.175	20	30		FDEDRO
O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N1CC[NH+]2CCC1CC2	ZINC000364988361	537408688	/nfs/dbraw/zinc/40/86/88/537408688.db2.gz	WSHSKFRZHYZBFC-UHFFFAOYSA-N	1	0	374.444	1.727	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@]3(CCC[C@H]3[NH3+])C2)cc1	ZINC000365081360	537425996	/nfs/dbraw/zinc/42/59/96/537425996.db2.gz	ATAMHMOKVBHVSG-SJLPKXTDSA-N	1	0	363.483	1.494	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)c(OC)cc1OC	ZINC000293352552	537426281	/nfs/dbraw/zinc/42/62/81/537426281.db2.gz	KYRNVLCJPOXGAQ-UHFFFAOYSA-N	1	0	367.833	1.367	20	30		FDEDRO
C[C@@H](C#N)CN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F	ZINC000299087416	537434143	/nfs/dbraw/zinc/43/41/43/537434143.db2.gz	KLLJNJYYHYWVOA-ZDUSSCGKSA-N	1	0	366.412	1.473	20	30		FDEDRO
[NH2+]=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC1CCCCCC1	ZINC000273534433	537461898	/nfs/dbraw/zinc/46/18/98/537461898.db2.gz	VVHULBKIJZGIJB-UHFFFAOYSA-N	1	0	368.459	1.996	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)Nc1ccc(C#N)c(F)c1	ZINC000290937667	537479781	/nfs/dbraw/zinc/47/97/81/537479781.db2.gz	ZGTDEVKYKILPFH-UHFFFAOYSA-N	1	0	358.373	1.819	20	30		FDEDRO
C[C@@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(C#N)c(F)c1	ZINC000271916835	537508523	/nfs/dbraw/zinc/50/85/23/537508523.db2.gz	CSIZSNUFEOURNK-PBHICJAKSA-N	1	0	360.433	1.281	20	30		FDEDRO
C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)C2(C#N)CCC2)c1	ZINC000274309036	537524744	/nfs/dbraw/zinc/52/47/44/537524744.db2.gz	UVUJRJHZMFPCEU-UHFFFAOYSA-N	1	0	350.444	1.159	20	30		FDEDRO
C[C@@H](NC(=O)C(C)(C)C)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000299303433	537543923	/nfs/dbraw/zinc/54/39/23/537543923.db2.gz	ABSHAFCFQLJQKU-OAHLLOKOSA-N	1	0	358.486	1.999	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCc2nnc(SC)s2)cc1OC	ZINC000275577957	537557108	/nfs/dbraw/zinc/55/71/08/537557108.db2.gz	ISGQKUUZHNOUHD-UHFFFAOYSA-N	1	0	353.473	1.882	20	30		FDEDRO
CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)cc1	ZINC000293680524	537561278	/nfs/dbraw/zinc/56/12/78/537561278.db2.gz	PRVDQJMOCHYIHW-LJQANCHMSA-N	1	0	354.458	1.957	20	30		FDEDRO
CCOC1CC(C[NH2+]Cc2ccc(C#N)c(OC)c2)(N2CCOCC2)C1	ZINC000281571933	537565373	/nfs/dbraw/zinc/56/53/73/537565373.db2.gz	CQWKTIBQQMJYNC-UHFFFAOYSA-N	1	0	359.470	1.926	20	30		FDEDRO
COc1cc(C[NH2+]C[C@@](O)(c2nccn2C)C(F)(F)F)ccc1C#N	ZINC000281783922	537583340	/nfs/dbraw/zinc/58/33/40/537583340.db2.gz	TZIOAXBFORLQBX-OAHLLOKOSA-N	1	0	354.332	1.840	20	30		FDEDRO
CCOC(=O)CCCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000305016754	537598981	/nfs/dbraw/zinc/59/89/81/537598981.db2.gz	MDIALNXFMCNHND-CYBMUJFWSA-N	1	0	354.451	1.210	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(NC(=O)c2cc(C)on2)CC1	ZINC000363021269	537602471	/nfs/dbraw/zinc/60/24/71/537602471.db2.gz	JIYIXWMIXIBGIS-HNNXBMFYSA-N	1	0	362.474	1.990	20	30		FDEDRO
CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1	ZINC000236986018	537606540	/nfs/dbraw/zinc/60/65/40/537606540.db2.gz	VOBWYFBHVBCJPF-CQXXMKOHSA-N	1	0	366.487	1.811	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C[NH2+]C)C2)cc1	ZINC000237202060	537617112	/nfs/dbraw/zinc/61/71/12/537617112.db2.gz	MIZSIRFIWSYPRO-AWEZNQCLSA-N	1	0	351.472	1.223	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCN(c3ccccc3)C2)CC1	ZINC000285118130	537618134	/nfs/dbraw/zinc/61/81/34/537618134.db2.gz	KZNSJAUQDAYLKN-QGZVFWFLSA-N	1	0	370.497	1.396	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1	ZINC000237243807	537619642	/nfs/dbraw/zinc/61/96/42/537619642.db2.gz	GKOVYXDHYZBOON-XYPWUTKMSA-N	1	0	363.483	1.506	20	30		FDEDRO
C#CCN(C)CCCNC(=O)C[C@H](C)S(=O)(=O)c1ccc(F)cc1	ZINC000293956930	537631485	/nfs/dbraw/zinc/63/14/85/537631485.db2.gz	KRPNTHDATKVABL-AWEZNQCLSA-N	1	0	354.447	1.449	20	30		FDEDRO
CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(S(=O)(=O)CC2(C#N)CCCCC2)C1	ZINC000329166513	537635181	/nfs/dbraw/zinc/63/51/81/537635181.db2.gz	HTRRDLJAAKXBDM-IRXDYDNUSA-N	1	0	369.531	1.975	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)C1	ZINC000329608266	537640164	/nfs/dbraw/zinc/64/01/64/537640164.db2.gz	NAPDPLFHPVQBDG-ANQUJSFKSA-N	1	0	352.479	1.888	20	30		FDEDRO
O=C(Nc1ccc(C(F)(F)F)nn1)NC1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000329924651	537646603	/nfs/dbraw/zinc/64/66/03/537646603.db2.gz	VBQWOSODVXCXGA-LLVKDONJSA-N	1	0	373.379	2.322	20	30		FDEDRO
O=C(CN1CC[NH+](C2CCOCC2)CC1)NC[C@H]1Cc2ccccc2O1	ZINC000330008036	537649483	/nfs/dbraw/zinc/64/94/83/537649483.db2.gz	FBKOLHROSKRIQH-GOSISDBHSA-N	1	0	359.470	1.743	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)/C=C/c1ccc(S(=O)(=O)NCC)cc1	ZINC000294066190	537651378	/nfs/dbraw/zinc/65/13/78/537651378.db2.gz	VKRKJBOCPYYGLV-FMIVXFBMSA-N	1	0	363.483	1.069	20	30		FDEDRO
CC(C)CNC(=O)NC(=O)CN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000330415577	537655920	/nfs/dbraw/zinc/65/59/20/537655920.db2.gz	CYGNPWSFZROWNX-IYBDPMFKSA-N	1	0	368.522	1.494	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)[C@]3(C#N)CC34CCCC4)cn2)CC1	ZINC000294316897	537683504	/nfs/dbraw/zinc/68/35/04/537683504.db2.gz	GNXCUCYXAPLSPD-HXUWFJFHSA-N	1	0	353.470	1.924	20	30		FDEDRO
Cc1nnsc1CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000291900075	537689050	/nfs/dbraw/zinc/68/90/50/537689050.db2.gz	KRRCTIUCVZFLCA-NSHDSACASA-N	1	0	352.464	1.227	20	30		FDEDRO
CC1(C)OCC[C@@H]1[NH2+]CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000295319682	537712339	/nfs/dbraw/zinc/71/23/39/537712339.db2.gz	WHSHZRUIZKURMS-MSOLQXFVSA-N	1	0	374.460	1.692	20	30		FDEDRO
C[C@@H](c1ccccc1)[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)C(N)=O	ZINC000292237329	537720424	/nfs/dbraw/zinc/72/04/24/537720424.db2.gz	PYFWNCYGSMOOCR-MAUKXSAKSA-N	1	0	356.470	1.918	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CC[N@@H+](C[C@H](O)COc3ccccc3F)C2)nc1	ZINC000292286602	537725269	/nfs/dbraw/zinc/72/52/69/537725269.db2.gz	TWRXUHAXBFHIEX-JKSUJKDBSA-N	1	0	357.385	1.985	20	30		FDEDRO
CN(C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1)S(C)(=O)=O	ZINC000285552055	537729509	/nfs/dbraw/zinc/72/95/09/537729509.db2.gz	IVUMSLYXIGRISC-DOTOQJQBSA-N	1	0	351.472	1.195	20	30		FDEDRO
CNC(=O)CN1CCC([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1	ZINC000285642773	537741085	/nfs/dbraw/zinc/74/10/85/537741085.db2.gz	LWVKGQBBDDXADB-UHFFFAOYSA-N	1	0	355.486	1.327	20	30		FDEDRO
N#Cc1ccc(OC2CC[NH+](CCC(=O)N3CCOCC3)CC2)c(F)c1	ZINC000375749875	537759862	/nfs/dbraw/zinc/75/98/62/537759862.db2.gz	IECIIFGYXFMOGT-UHFFFAOYSA-N	1	0	361.417	1.789	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CC[C@H](C[NH3+])C3)CC2)cc1	ZINC000418793747	537768103	/nfs/dbraw/zinc/76/81/03/537768103.db2.gz	QFDDAPPESXQYTO-OALUTQOASA-N	1	0	355.486	1.903	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1	ZINC000366677208	537819414	/nfs/dbraw/zinc/81/94/14/537819414.db2.gz	HVVBVEHKEKNABA-QRVBRYPASA-N	1	0	364.534	1.779	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000366680202	537821667	/nfs/dbraw/zinc/82/16/67/537821667.db2.gz	QJIYTFWTUPBYPA-UHOSZYNNSA-N	1	0	364.534	1.778	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)N1CCCC[C@H]1C[NH3+]	ZINC000418925369	537850173	/nfs/dbraw/zinc/85/01/73/537850173.db2.gz	QCJNSPKYKFJSCF-INIZCTEOSA-N	1	0	360.483	1.247	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000409553969	537860809	/nfs/dbraw/zinc/86/08/09/537860809.db2.gz	OKXCQAYBPMADHE-WBVHZDCISA-N	1	0	350.488	1.577	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1	ZINC000410162563	537880721	/nfs/dbraw/zinc/88/07/21/537880721.db2.gz	JXHGFWOGVRFYTA-SFHVURJKSA-N	1	0	364.515	1.621	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1	ZINC000416569899	537886199	/nfs/dbraw/zinc/88/61/99/537886199.db2.gz	YYIZEOLGOGJSBI-HNNXBMFYSA-N	1	0	365.499	1.613	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C	ZINC000377295103	537957992	/nfs/dbraw/zinc/95/79/92/537957992.db2.gz	GHRSFEXIZZDYBE-NUJGCVRESA-N	1	0	364.515	1.965	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc(C)n(-c3cccc(C#N)c3)n2)C1	ZINC000372464674	537958820	/nfs/dbraw/zinc/95/88/20/537958820.db2.gz	NIEGDNODCFGDBK-MRXNPFEDSA-N	1	0	368.441	1.895	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC2(C[C@H]2C(=O)N2CCCC2)CC1	ZINC000367555589	537961745	/nfs/dbraw/zinc/96/17/45/537961745.db2.gz	BORCXAIDCROWDK-GJZGRUSLSA-N	1	0	362.474	1.111	20	30		FDEDRO
CN1CCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C[C@H]1C#N	ZINC000368401490	537979692	/nfs/dbraw/zinc/97/96/92/537979692.db2.gz	CZUTVCXMHOTAPH-ZWKOTPCHSA-N	1	0	356.474	1.143	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)CC1	ZINC000368525138	537982373	/nfs/dbraw/zinc/98/23/73/537982373.db2.gz	BBCVYUFDMUKEHX-YWZLYKJASA-N	1	0	374.485	1.091	20	30		FDEDRO
C=C(C)[C@H](CC(=O)NCC1(N2CCOCC2)CC(OCC)C1)OCC	ZINC000368912980	537993648	/nfs/dbraw/zinc/99/36/48/537993648.db2.gz	JUHQWABZBISNFG-HFCFLWKCSA-N	1	0	354.491	1.744	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1	ZINC000368980233	537995692	/nfs/dbraw/zinc/99/56/92/537995692.db2.gz	CUEAVWBRDYGAMZ-ZWKOTPCHSA-N	1	0	358.442	1.330	20	30		FDEDRO
CCc1nc(CN2CCC[C@H]([N@@H+](C)CC(=O)N(CC)CCC#N)C2)no1	ZINC000369235342	538008220	/nfs/dbraw/zinc/00/82/20/538008220.db2.gz	IPLOFDUCVIETSI-HNNXBMFYSA-N	1	0	362.478	1.290	20	30		FDEDRO
CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@@H]2CCc3[nH]cnc3C2)cc1	ZINC000377956874	538049323	/nfs/dbraw/zinc/04/93/23/538049323.db2.gz	RHKZAYMJFMGMPZ-CQSZACIVSA-N	1	0	351.410	1.823	20	30		FDEDRO
COc1ccc(C[NH2+]C2CCN(C(=O)c3cnccn3)CC2)cc1C#N	ZINC000369672588	538051543	/nfs/dbraw/zinc/05/15/43/538051543.db2.gz	QBZJKQGSVTYCBG-UHFFFAOYSA-N	1	0	351.410	1.751	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(NC(=O)NC)CC1)C(C)C	ZINC000413119880	538057895	/nfs/dbraw/zinc/05/78/95/538057895.db2.gz	ZAHUYJLTTGGLOH-KRWDZBQOSA-N	1	0	365.522	1.788	20	30		FDEDRO
C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1	ZINC000415465008	538064705	/nfs/dbraw/zinc/06/47/05/538064705.db2.gz	SAKUJOMDJJJHHP-RISCZKNCSA-N	1	0	358.833	2.517	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC000372953565	538067884	/nfs/dbraw/zinc/06/78/84/538067884.db2.gz	TUKYXVXIDQYJAC-HUUCEWRRSA-N	1	0	356.426	1.638	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC[C@H]2C[NH3+])ccc1OCC(F)(F)F	ZINC000415490985	538070762	/nfs/dbraw/zinc/07/07/62/538070762.db2.gz	WAPKKSBELUFHEU-LBPRGKRZSA-N	1	0	370.331	1.388	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1	ZINC000419458886	538071445	/nfs/dbraw/zinc/07/14/45/538071445.db2.gz	CEKOQBYDAUFWEP-KRWDZBQOSA-N	1	0	358.442	1.077	20	30		FDEDRO
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NC[C@H](C)C[NH3+]	ZINC000415508812	538072599	/nfs/dbraw/zinc/07/25/99/538072599.db2.gz	GFBITLOHLILFDQ-GFCCVEGCSA-N	1	0	367.409	1.704	20	30		FDEDRO
N#CCC[C@H](NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)c1ccccc1	ZINC000419482313	538075363	/nfs/dbraw/zinc/07/53/63/538075363.db2.gz	YDYWQQMREQFNIR-SFHVURJKSA-N	1	0	372.469	1.504	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N[C@H]1CC[N@@H+](C2CCCCCC2)C1	ZINC000369923356	538076000	/nfs/dbraw/zinc/07/60/00/538076000.db2.gz	LQZIGRQLDZBMDB-HNNXBMFYSA-N	1	0	357.520	1.684	20	30		FDEDRO
N#Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1	ZINC000378229989	538078707	/nfs/dbraw/zinc/07/87/07/538078707.db2.gz	MSCPRPZVUHHRPF-HZPDHXFCSA-N	1	0	367.446	1.619	20	30		FDEDRO
N#Cc1ccccc1-c1ccc(CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)cc1	ZINC000419635510	538088268	/nfs/dbraw/zinc/08/82/68/538088268.db2.gz	IXTYXMLQJBDWBY-LJQANCHMSA-N	1	0	362.433	1.695	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1	ZINC000415873300	538090788	/nfs/dbraw/zinc/09/07/88/538090788.db2.gz	UPABGCLDSMPDBZ-LSDHHAIUSA-N	1	0	356.426	1.376	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)Nc2ccccc2C[NH+]2CCSCC2)CCC1	ZINC000419811002	538094142	/nfs/dbraw/zinc/09/41/42/538094142.db2.gz	BYJWLOOQPBENEP-UHFFFAOYSA-N	1	0	372.494	1.984	20	30		FDEDRO
CC[C@H](C)n1[nH]c(=NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc1C	ZINC000438765031	538133753	/nfs/dbraw/zinc/13/37/53/538133753.db2.gz	QXJMCOUDOJGXAY-AWEZNQCLSA-N	1	0	362.478	1.795	20	30		FDEDRO
C[N@H+](CCNS(=O)(=O)c1ccc(C#N)c(Br)c1)C1CC1	ZINC000432857886	538180993	/nfs/dbraw/zinc/18/09/93/538180993.db2.gz	GLSINOVWWZEDRA-UHFFFAOYSA-N	1	0	358.261	1.693	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+]	ZINC000420016764	538188258	/nfs/dbraw/zinc/18/82/58/538188258.db2.gz	NOAQRJZMMPSWAU-GDBMZVCRSA-N	1	0	360.414	1.353	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1	ZINC000424114799	538237131	/nfs/dbraw/zinc/23/71/31/538237131.db2.gz	STYJUQUXDNMEME-MRXNPFEDSA-N	1	0	370.413	1.939	20	30		FDEDRO
COc1ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc1S(=O)(=O)NC1CC1	ZINC000424124562	538241015	/nfs/dbraw/zinc/24/10/15/538241015.db2.gz	MLRQTGXZVXGXNL-CYBMUJFWSA-N	1	0	366.443	1.096	20	30		FDEDRO
N#Cc1ccc(OCC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1	ZINC000440501283	538247163	/nfs/dbraw/zinc/24/71/63/538247163.db2.gz	DYPKPIGXBNHKTB-OAQYLSRUSA-N	1	0	365.433	1.690	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H](c2cccnc2)C2CC2)CC1	ZINC000445805605	538255428	/nfs/dbraw/zinc/25/54/28/538255428.db2.gz	MHUJEMLHZKEIPC-ICSRJNTNSA-N	1	0	355.486	1.815	20	30		FDEDRO
Cc1cc(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ncc1C#N	ZINC000560497223	545524111	/nfs/dbraw/zinc/52/41/11/545524111.db2.gz	PMGBCSNGEMJJHJ-JWTNVVGKSA-N	1	0	353.470	1.645	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)C1	ZINC000420416660	538290463	/nfs/dbraw/zinc/29/04/63/538290463.db2.gz	GPOSNGBTSJOSQC-VHSXEESVSA-N	1	0	358.261	1.679	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1Br	ZINC000420427265	538292698	/nfs/dbraw/zinc/29/26/98/538292698.db2.gz	QUQZHKZZMZFEBG-MNOVXSKESA-N	1	0	358.261	1.869	20	30		FDEDRO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000422525959	538295147	/nfs/dbraw/zinc/29/51/47/538295147.db2.gz	JGPXZNDPPWKQOO-PKOBYXMFSA-N	1	0	355.482	1.985	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc(C#N)cc1	ZINC000424535324	538324563	/nfs/dbraw/zinc/32/45/63/538324563.db2.gz	ABZSYYKPLHXWSJ-HUUCEWRRSA-N	1	0	354.454	1.726	20	30		FDEDRO
C=CCN(C(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1)C1CC1	ZINC000442410972	538365677	/nfs/dbraw/zinc/36/56/77/538365677.db2.gz	WBTTVCAHXZRBHM-UHFFFAOYSA-N	1	0	356.470	1.944	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N2CCC(OCC[NH+](C)C)CC2)c1C#N	ZINC000443254571	538395085	/nfs/dbraw/zinc/39/50/85/538395085.db2.gz	UWJFHIDLQBCYEM-UHFFFAOYSA-N	1	0	351.472	1.598	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1	ZINC000448763952	538411349	/nfs/dbraw/zinc/41/13/49/538411349.db2.gz	PYDZZHSVGFQLNS-JSGCOSHPSA-N	1	0	360.845	1.632	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CCCO)ccc1Cl	ZINC000453810925	538458331	/nfs/dbraw/zinc/45/83/31/538458331.db2.gz	YULFRFLWYVGLEF-CQSZACIVSA-N	1	0	364.833	1.113	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C1C[NH+](C2CCCCC2)C1	ZINC000457643169	538504549	/nfs/dbraw/zinc/50/45/49/538504549.db2.gz	VZZJGFVWYNKMBW-OAHLLOKOSA-N	1	0	368.485	1.650	20	30		FDEDRO
CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000482160186	538613305	/nfs/dbraw/zinc/61/33/05/538613305.db2.gz	ZHCWRKLEZOVXPS-KGLIPLIRSA-N	1	0	366.487	1.072	20	30		FDEDRO
CCOC(=O)[C@H]1CCCN(CC#CC[N@@H+]2CCC[C@H](C(=O)OCC)C2)C1	ZINC000472750959	538694099	/nfs/dbraw/zinc/69/40/99/538694099.db2.gz	MBWHHDCFOXJPQU-ROUUACIJSA-N	1	0	364.486	1.540	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCNc2cc[nH+]cc2)cc1	ZINC000483564076	538713237	/nfs/dbraw/zinc/71/32/37/538713237.db2.gz	QLLVLTWHUJSLOE-CYBMUJFWSA-N	1	0	373.438	1.423	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(S(C)(=O)=O)s2)CC1	ZINC000468334062	538727189	/nfs/dbraw/zinc/72/71/89/538727189.db2.gz	NBXGGSZRDTVGMK-UHFFFAOYSA-N	1	0	371.528	1.991	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCc2cccc(C#N)c2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000485560271	538845728	/nfs/dbraw/zinc/84/57/28/538845728.db2.gz	HKVGGZHAIAXWCH-VQIMIIECSA-N	1	0	355.486	1.726	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1CCCS1	ZINC000498828175	538856803	/nfs/dbraw/zinc/85/68/03/538856803.db2.gz	LHQWLJFVUDTRHR-QGZVFWFLSA-N	1	0	374.510	1.460	20	30		FDEDRO
Cn1ncc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c1C#N	ZINC000476305393	538863340	/nfs/dbraw/zinc/86/33/40/538863340.db2.gz	XYBNPLSLVXJLIR-UHFFFAOYSA-N	1	0	353.426	1.748	20	30		FDEDRO
CN(CCC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)c1cc[nH+]cc1	ZINC000561099114	545684588	/nfs/dbraw/zinc/68/45/88/545684588.db2.gz	DFACFCGHWREPIB-KRWDZBQOSA-N	1	0	351.410	1.854	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C	ZINC000561353221	545814773	/nfs/dbraw/zinc/81/47/73/545814773.db2.gz	CUIQTBPBHQHDGB-IAGOWNOFSA-N	1	0	353.507	1.664	20	30		FDEDRO
COc1cc(CNC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)ccc1C#N	ZINC000562249763	546067610	/nfs/dbraw/zinc/06/76/10/546067610.db2.gz	AVVYGUFFQKJHIR-HNNXBMFYSA-N	1	0	372.469	1.962	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)NCC2(C#N)CC2)CC1	ZINC000562393291	546121770	/nfs/dbraw/zinc/12/17/70/546121770.db2.gz	CSSBKPMGJCLDRM-UHFFFAOYSA-N	1	0	363.506	1.560	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](c3ccncc3)C2)CC1	ZINC000562478864	546152317	/nfs/dbraw/zinc/15/23/17/546152317.db2.gz	PWHGJPNVLKVPOF-RBUKOAKNSA-N	1	0	355.486	1.563	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[NH2+]C[C@H]2CCC)c1	ZINC000563109945	546410241	/nfs/dbraw/zinc/41/02/41/546410241.db2.gz	PDTVZXBMXNSKFF-OAHLLOKOSA-N	1	0	351.472	1.365	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H](O)COc2ccccc2)cc1	ZINC000564696831	547004569	/nfs/dbraw/zinc/00/45/69/547004569.db2.gz	WASDBTBTGBDYFH-INIZCTEOSA-N	1	0	360.435	1.361	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCc2cn3c(n2)CCCC3)nc1	ZINC000564844775	547063845	/nfs/dbraw/zinc/06/38/45/547063845.db2.gz	OFDQLCKXTQFXCM-UHFFFAOYSA-N	1	0	359.455	1.092	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCNC(=O)CC2CCCC2)cc1	ZINC000564846520	547065342	/nfs/dbraw/zinc/06/53/42/547065342.db2.gz	AAOCFGBMBBWTPL-UHFFFAOYSA-N	1	0	363.483	1.618	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)CNc1ccc(CC[NH+]2CCSCC2)cc1	ZINC000564863614	547072134	/nfs/dbraw/zinc/07/21/34/547072134.db2.gz	MKNMVSLUAJLFTJ-IBGZPJMESA-N	1	0	362.543	1.896	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)NCc2ccccc2C[NH+]2CCCC2)n1	ZINC000564937372	547114914	/nfs/dbraw/zinc/11/49/14/547114914.db2.gz	MABKLIURPVPGQI-UHFFFAOYSA-N	1	0	363.421	1.804	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)NC1CCC(N2CC[NH2+]CC2)CC1	ZINC000565151411	547221620	/nfs/dbraw/zinc/22/16/20/547221620.db2.gz	QVUJSMQLWAZVBT-ZLPCBKJTSA-N	1	0	356.470	1.658	20	30		FDEDRO
C=CCN(C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1	ZINC000565176564	547235871	/nfs/dbraw/zinc/23/58/71/547235871.db2.gz	GFHNLMFPKTUPAF-QZTJIDSGSA-N	1	0	362.495	1.710	20	30		FDEDRO
CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1cc(C)c(C#N)cn1)c1ccco1	ZINC000565191286	547245097	/nfs/dbraw/zinc/24/50/97/547245097.db2.gz	ODIVXERIQMOJLW-OAHLLOKOSA-N	1	0	369.425	1.993	20	30		FDEDRO
CC[N@H+](C)C[C@H](O)CN1CCN([C@H](C#N)c2cccc(Cl)c2)CC1	ZINC000565665998	547437736	/nfs/dbraw/zinc/43/77/36/547437736.db2.gz	NTSLPLVFFXZVAJ-ZWKOTPCHSA-N	1	0	350.894	1.835	20	30		FDEDRO
N#Cc1cncc(S(=O)(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)c1	ZINC000565671926	547439714	/nfs/dbraw/zinc/43/97/14/547439714.db2.gz	RFZYQNISYFRAQV-DLBZAZTESA-N	1	0	360.414	1.598	20	30		FDEDRO
CCOC(=O)Cn1c2c(cc(C#N)c1=O)C[N@@H+](Cc1ccccc1)CC2	ZINC000565961263	547549427	/nfs/dbraw/zinc/54/94/27/547549427.db2.gz	BDVLNDJTAOVBKG-UHFFFAOYSA-N	1	0	351.406	1.841	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)nc1	ZINC000566120237	547613978	/nfs/dbraw/zinc/61/39/78/547613978.db2.gz	HTTSQVIGKJVCLZ-MRXNPFEDSA-N	1	0	374.441	1.735	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)ncc1C#N	ZINC000566435330	547754831	/nfs/dbraw/zinc/75/48/31/547754831.db2.gz	QNKQJGLGHNAICB-CYBMUJFWSA-N	1	0	357.439	1.681	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNS(=O)(=O)Cc2ccc(CC#N)cc2)CC1	ZINC000566852972	547907920	/nfs/dbraw/zinc/90/79/20/547907920.db2.gz	SIXILANVQADDSK-MRXNPFEDSA-N	1	0	364.515	1.198	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)C[NH+]1CCC(C)CC1	ZINC000566867031	547914042	/nfs/dbraw/zinc/91/40/42/547914042.db2.gz	SPNSDYNKNQKICB-AWEZNQCLSA-N	1	0	351.472	1.966	20	30		FDEDRO
CC[NH2+]CCCNC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000566905361	547926712	/nfs/dbraw/zinc/92/67/12/547926712.db2.gz	FXCZPNLMXHIYJY-UHFFFAOYSA-N	1	0	358.442	1.044	20	30		FDEDRO
C[NH2+]CC1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1	ZINC000566973098	547948941	/nfs/dbraw/zinc/94/89/41/547948941.db2.gz	PIWQOOQSOMXDSH-UHFFFAOYSA-N	1	0	372.288	1.941	20	30		FDEDRO
Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)NC1(C#N)CC[NH+](C)CC1)C2=O	ZINC000567088879	547990780	/nfs/dbraw/zinc/99/07/80/547990780.db2.gz	ZHJAERHGEJRKOZ-ZDUSSCGKSA-N	1	0	354.410	1.084	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1	ZINC000567167033	548018861	/nfs/dbraw/zinc/01/88/61/548018861.db2.gz	PMBBWMRMSNQRJN-IRXDYDNUSA-N	1	0	354.458	1.412	20	30		FDEDRO
CCc1n[nH]c(=O)c(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)c1CC	ZINC000567377999	548098140	/nfs/dbraw/zinc/09/81/40/548098140.db2.gz	LQPHZVVZDPKPPN-HNNXBMFYSA-N	1	0	370.453	1.903	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]CCNC(=O)c2ccccc2)cc1	ZINC000567680467	548209902	/nfs/dbraw/zinc/20/99/02/548209902.db2.gz	ZOROCZKUWVWJID-GOSISDBHSA-N	1	0	353.422	1.512	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000567692487	548215950	/nfs/dbraw/zinc/21/59/50/548215950.db2.gz	VHLZOWUFWTUREQ-SJORKVTESA-N	1	0	359.449	1.462	20	30		FDEDRO
CC(C)n1ncc2c1C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)CC2	ZINC000567700411	548219425	/nfs/dbraw/zinc/21/94/25/548219425.db2.gz	LKMFQIDCWYYKNC-MRXNPFEDSA-N	1	0	373.482	1.651	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCS2(=O)=O)c(OC)c1	ZINC000568078236	548389111	/nfs/dbraw/zinc/38/91/11/548389111.db2.gz	KUGDCPGOBRCZGD-HOTGVXAUSA-N	1	0	369.483	1.330	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@H+](Cc1ccccc1)C[C@]1(O)CCO[C@H]1C	ZINC000568526447	548574704	/nfs/dbraw/zinc/57/47/04/548574704.db2.gz	PHDADHRUNYOMMD-HNAYVOBHSA-N	1	0	361.442	1.040	20	30		FDEDRO
C[C@@H](NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)[C@@H]1CCC[NH2+]C1	ZINC000568608985	548604736	/nfs/dbraw/zinc/60/47/36/548604736.db2.gz	QVOWJSPQGQXXBN-GDBMZVCRSA-N	1	0	359.449	1.917	20	30		FDEDRO
N#Cc1ccc(OC2CCC(NC(=O)NCC[C@@H]3CC[NH2+]C3)CC2)nc1	ZINC000568966609	548748209	/nfs/dbraw/zinc/74/82/09/548748209.db2.gz	KERFSXHNVOWYOW-OOHWJJMZSA-N	1	0	357.458	1.942	20	30		FDEDRO
Cc1cc(N2CCC[C@@H]([NH2+]Cc3cnc4c(C#N)cnn4c3)C2)n(C)n1	ZINC000568983432	548755578	/nfs/dbraw/zinc/75/55/78/548755578.db2.gz	JLXMBRKZZDMBHL-MRXNPFEDSA-N	1	0	350.430	1.402	20	30		FDEDRO
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)n1	ZINC000569331092	548876393	/nfs/dbraw/zinc/87/63/93/548876393.db2.gz	YYEFDTXGVWKLNY-GXTWGEPZSA-N	1	0	370.844	2.471	20	30		FDEDRO
CSC1(CNS(=O)(=O)c2ccc(F)c(C#N)c2)CC[NH+](C)CC1	ZINC000569396083	548902657	/nfs/dbraw/zinc/90/26/57/548902657.db2.gz	XWDMUSOSZPIOHP-UHFFFAOYSA-N	1	0	357.476	1.803	20	30		FDEDRO
CCOCc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C	ZINC000569510184	548944974	/nfs/dbraw/zinc/94/49/74/548944974.db2.gz	QFVHVOXWPGCQPS-UHFFFAOYSA-N	1	0	354.458	1.936	20	30		FDEDRO
C=CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000570009888	549126735	/nfs/dbraw/zinc/12/67/35/549126735.db2.gz	JUQITTAOWJQBIB-MRXNPFEDSA-N	1	0	371.489	1.413	20	30		FDEDRO
C[C@H]1CCCC[C@H]1OCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000570242574	549208823	/nfs/dbraw/zinc/20/88/23/549208823.db2.gz	AZUNLMLGPGIDLM-GOEBONIOSA-N	1	0	351.472	1.912	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCOC3(CCOCC3)C2)cc1	ZINC000570273104	549219331	/nfs/dbraw/zinc/21/93/31/549219331.db2.gz	MYVNWOGWOWWSLJ-INIZCTEOSA-N	1	0	364.467	1.650	20	30		FDEDRO
C=CCn1c(C2CCCC2)nnc1N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1	ZINC000570404816	549267750	/nfs/dbraw/zinc/26/77/50/549267750.db2.gz	KRHCEVHYZZBLDK-QGZVFWFLSA-N	1	0	372.517	1.912	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1	ZINC000570542755	549317643	/nfs/dbraw/zinc/31/76/43/549317643.db2.gz	SXKMIYRCGINGRZ-SJLPKXTDSA-N	1	0	359.470	1.427	20	30		FDEDRO
C[NH2+]CCCC(=O)N1CCC(NC(=O)Nc2ccc(CC#N)cc2)CC1	ZINC000570828110	549428099	/nfs/dbraw/zinc/42/80/99/549428099.db2.gz	WAISEUDYLUFHDY-UHFFFAOYSA-N	1	0	357.458	1.865	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)n1	ZINC000571028161	549498257	/nfs/dbraw/zinc/49/82/57/549498257.db2.gz	FZHJIGJFYMQBFB-QWHCGFSZSA-N	1	0	354.389	1.956	20	30		FDEDRO
C[N@H+](CCNC(=O)N1CCN(c2cnccc2C#N)CC1)C1CCCC1	ZINC000571352107	549614236	/nfs/dbraw/zinc/61/42/36/549614236.db2.gz	DKJCWHDJIXCNAK-UHFFFAOYSA-N	1	0	356.474	1.659	20	30		FDEDRO
C[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)N1CCc2ccccc21	ZINC000571362026	549616933	/nfs/dbraw/zinc/61/69/33/549616933.db2.gz	LLELABVVGDWNSY-OAHLLOKOSA-N	1	0	370.478	1.768	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)NCC[C@H]3CC[NH2+]C3)C2=O)cc1	ZINC000572134971	549850143	/nfs/dbraw/zinc/85/01/43/549850143.db2.gz	NCWQGESJAUEZKK-NVXWUHKLSA-N	1	0	355.442	1.352	20	30		FDEDRO
CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCO[C@H](C#N)C1	ZINC000572254156	549875761	/nfs/dbraw/zinc/87/57/61/549875761.db2.gz	MEQJXCRTEZZURA-GUDVDZBRSA-N	1	0	372.469	1.457	20	30		FDEDRO
N#Cc1cnc(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)c(Cl)c1	ZINC000572433029	549914033	/nfs/dbraw/zinc/91/40/33/549914033.db2.gz	BSSKLJWSMFACNW-UHFFFAOYSA-N	1	0	363.849	1.329	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC([N@@H+]2CCOC[C@H]2C)CC1	ZINC000572480844	549924074	/nfs/dbraw/zinc/92/40/74/549924074.db2.gz	XNQCYFLHYUPCRF-IAGOWNOFSA-N	1	0	362.518	1.903	20	30		FDEDRO
C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000573230400	550093148	/nfs/dbraw/zinc/09/31/48/550093148.db2.gz	JQIWWWARKFBZJS-KSSFIOAISA-N	1	0	365.499	1.894	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCNC(=O)c2ccccc2)nc1	ZINC000573357453	550119656	/nfs/dbraw/zinc/11/96/56/550119656.db2.gz	BTSGDZWOKPOXDB-UHFFFAOYSA-N	1	0	372.450	1.137	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CC2(c3ccccn3)CCC2)nc1	ZINC000573439386	550137629	/nfs/dbraw/zinc/13/76/29/550137629.db2.gz	PPLNBCYPLPMEIB-UHFFFAOYSA-N	1	0	356.451	1.833	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)cc1	ZINC000573956540	550237878	/nfs/dbraw/zinc/23/78/78/550237878.db2.gz	AEARXZWCGACXKQ-ZWKOTPCHSA-N	1	0	372.469	1.568	20	30		FDEDRO
C[C@@H]1CN(CCO)CCN1C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000574616020	550342291	/nfs/dbraw/zinc/34/22/91/550342291.db2.gz	WIGNIPDTDDPTHJ-ZBFHGGJFSA-N	1	0	360.433	1.049	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1	ZINC000574646534	550347992	/nfs/dbraw/zinc/34/79/92/550347992.db2.gz	JAIZZEMONRZGLL-SJORKVTESA-N	1	0	359.474	1.366	20	30		FDEDRO
Cc1cccc([C@@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)N2CCOCC2)c1	ZINC000574661989	550350567	/nfs/dbraw/zinc/35/05/67/550350567.db2.gz	JYEDXVCKNHIJOD-WOJBJXKFSA-N	1	0	360.502	1.164	20	30		FDEDRO
Cn1cc([C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C(C)(C)C)cn1	ZINC000576069553	550507217	/nfs/dbraw/zinc/50/72/17/550507217.db2.gz	RVLDLVZTMNJRGW-INIZCTEOSA-N	1	0	361.471	1.837	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCN(c3cnccc3C#N)CC2)C1	ZINC000576206129	550522695	/nfs/dbraw/zinc/52/26/95/550522695.db2.gz	CAAPLFCXWMWIKT-INIZCTEOSA-N	1	0	356.474	1.517	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2C1=O	ZINC000576238470	550526777	/nfs/dbraw/zinc/52/67/77/550526777.db2.gz	SGPXYNJTCJDASP-GOOCMWNKSA-N	1	0	353.422	1.824	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)C3(c4cccc(C#N)c4)CC3)CC2)C1=O	ZINC000576698507	550576503	/nfs/dbraw/zinc/57/65/03/550576503.db2.gz	GRMWHDBDBYCSMV-GOSISDBHSA-N	1	0	366.465	1.401	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1	ZINC000577128622	550623630	/nfs/dbraw/zinc/62/36/30/550623630.db2.gz	CTZIXXCFOSESJH-KRWDZBQOSA-N	1	0	361.511	1.975	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(CC#N)cc2)C[C@@H]1C	ZINC000577395785	550651944	/nfs/dbraw/zinc/65/19/44/550651944.db2.gz	URQLNFGLDJEDDI-MAUKXSAKSA-N	1	0	356.470	1.700	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1	ZINC000577465340	550658489	/nfs/dbraw/zinc/65/84/89/550658489.db2.gz	FIFLBVJZXPNCGV-UHFFFAOYSA-N	1	0	354.370	1.498	20	30		FDEDRO
CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N=c2ccn(CCC#N)[nH]2)c1	ZINC000577668069	550681333	/nfs/dbraw/zinc/68/13/33/550681333.db2.gz	VBCLKOGXECINFC-UHFFFAOYSA-N	1	0	368.441	2.216	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1	ZINC000577723469	550687653	/nfs/dbraw/zinc/68/76/53/550687653.db2.gz	YHJMTXBQQCKISY-UKRRQHHQSA-N	1	0	354.857	1.854	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2nc(C)cs2)CC1	ZINC000577783407	550694698	/nfs/dbraw/zinc/69/46/98/550694698.db2.gz	PYELXJXKGPAWEJ-ZDUSSCGKSA-N	1	0	350.488	1.785	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1	ZINC000578120598	550729865	/nfs/dbraw/zinc/72/98/65/550729865.db2.gz	MHLVXSVQRVDGAO-YUELXQCFSA-N	1	0	362.455	1.731	20	30		FDEDRO
CCCN(C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CC[NH2+]C1	ZINC000578121770	550730143	/nfs/dbraw/zinc/73/01/43/550730143.db2.gz	NDCJGAVTFPDWHP-MSOLQXFVSA-N	1	0	369.469	1.837	20	30		FDEDRO
C=CCN1CCC([NH2+]C[C@@H](O)COc2c(OC)cccc2OC)CC1	ZINC000578186395	550737003	/nfs/dbraw/zinc/73/70/03/550737003.db2.gz	KPBGIEPOKAVYOU-MRXNPFEDSA-N	1	0	350.459	1.684	20	30		FDEDRO
C[C@H]([C@H](C)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)N1CCOCC1	ZINC000578498992	550770064	/nfs/dbraw/zinc/77/00/64/550770064.db2.gz	ANSXCKXMUJILGT-LSDHHAIUSA-N	1	0	351.472	1.031	20	30		FDEDRO
COc1cc(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)ccc1C#N	ZINC000578590299	550779507	/nfs/dbraw/zinc/77/95/07/550779507.db2.gz	XLSBDQVODOKBSN-WBVHZDCISA-N	1	0	350.440	1.393	20	30		FDEDRO
C[C@@H](CNCCS(=O)(=O)c1ccc(C#N)cn1)C[NH+]1CCCCC1	ZINC000579343726	550862962	/nfs/dbraw/zinc/86/29/62/550862962.db2.gz	JVXAEQMJNPCBLO-HNNXBMFYSA-N	1	0	350.488	1.439	20	30		FDEDRO
CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@H](C)n2cnc(C#N)n2)c1	ZINC000579508699	550881170	/nfs/dbraw/zinc/88/11/70/550881170.db2.gz	BJAMAKMVNCLAGU-ZDUSSCGKSA-N	1	0	369.429	1.630	20	30		FDEDRO
Cc1c(C(=O)N[C@](C)(C#N)CN(C)C)nnn1-c1cccc2cnccc21	ZINC000579598590	550890968	/nfs/dbraw/zinc/89/09/68/550890968.db2.gz	KYFBCOWHFFJDQT-LJQANCHMSA-N	1	0	363.425	1.698	20	30		FDEDRO
CC(=O)c1cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)ccc1C	ZINC000579609730	550892029	/nfs/dbraw/zinc/89/20/29/550892029.db2.gz	HADYMGCAIOEDRG-UHFFFAOYSA-N	1	0	358.442	1.830	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)NCC1(N2CCOCC2)CCOCC1	ZINC000579807530	550911654	/nfs/dbraw/zinc/91/16/54/550911654.db2.gz	SWJBHDJFVMUOGU-UHFFFAOYSA-N	1	0	362.405	1.700	20	30		FDEDRO
CC(C)(C)c1cc(NC(=O)C(=O)NC2C[NH2+]C2)n(-c2ccc(C#N)cc2)n1	ZINC000579931954	550924823	/nfs/dbraw/zinc/92/48/23/550924823.db2.gz	AQBZRHSPBSEEDH-UHFFFAOYSA-N	1	0	366.425	1.068	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(c2cnccc2C#N)CC1	ZINC000580271030	550960859	/nfs/dbraw/zinc/96/08/59/550960859.db2.gz	JIRBQWDYEQDSMR-IAGOWNOFSA-N	1	0	370.501	1.905	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@@H](C)OC(C)(C)C1)C(C)C	ZINC000580338182	550969390	/nfs/dbraw/zinc/96/93/90/550969390.db2.gz	MWDMSIMWKKUVRG-IAGOWNOFSA-N	1	0	365.518	1.827	20	30		FDEDRO
Cc1cc(NC(=O)CC[NH2+]C2CCC(Oc3ncccc3C#N)CC2)no1	ZINC000580555069	550994766	/nfs/dbraw/zinc/99/47/66/550994766.db2.gz	CMNDTDKGIDKWEF-UHFFFAOYSA-N	1	0	369.425	2.558	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)N3CCC[C@@H](C[NH3+])C3)CC2)cc1	ZINC000580828052	551022907	/nfs/dbraw/zinc/02/29/07/551022907.db2.gz	UQYFYQGAOGWUCG-INIZCTEOSA-N	1	0	352.438	1.371	20	30		FDEDRO
C[C@@H]1COCCN1C1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000580930614	551033483	/nfs/dbraw/zinc/03/34/83/551033483.db2.gz	QSKDFFNUTXVANL-APWZRJJASA-N	1	0	359.470	1.483	20	30		FDEDRO
N#Cc1cccc(Cn2cc(CN3CCOCC3)cc(C#N)c2=O)c1F	ZINC000580963358	551037721	/nfs/dbraw/zinc/03/77/21/551037721.db2.gz	NOJIBZIQAIUOCC-UHFFFAOYSA-N	1	0	352.369	1.611	20	30		FDEDRO
N#CCC(=O)N1CCN(C[C@@H](O)COc2cccc3ccccc32)CC1	ZINC000581202450	551063596	/nfs/dbraw/zinc/06/35/96/551063596.db2.gz	XCBZJUNUECGUHL-QGZVFWFLSA-N	1	0	353.422	1.637	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)cc1C(F)(F)F	ZINC000581239036	551066851	/nfs/dbraw/zinc/06/68/51/551066851.db2.gz	LGLFXKYNOFRBEB-JTQLQIEISA-N	1	0	354.332	1.713	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c1	ZINC000581284821	551071702	/nfs/dbraw/zinc/07/17/02/551071702.db2.gz	SSYOGVPPHATBLK-QGZVFWFLSA-N	1	0	363.483	1.824	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCOC[C@@H]1C1CC1)C(C)C	ZINC000581360475	551080079	/nfs/dbraw/zinc/08/00/79/551080079.db2.gz	GVDPMZPJERKWGM-ZWKOTPCHSA-N	1	0	363.502	1.439	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)ncc1C#N	ZINC000582310109	551205514	/nfs/dbraw/zinc/20/55/14/551205514.db2.gz	ZOIHWQDFHPREIZ-QGZVFWFLSA-N	1	0	365.437	1.489	20	30		FDEDRO
N#Cc1cccc(OC2CCN(C(=O)C(=O)N3CCC[C@@H](C[NH3+])C3)CC2)c1	ZINC000582354500	551211736	/nfs/dbraw/zinc/21/17/36/551211736.db2.gz	VAMJHBUKDOATLR-INIZCTEOSA-N	1	0	370.453	1.125	20	30		FDEDRO
N#Cc1ccc(NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)nc1N	ZINC000582676841	551255057	/nfs/dbraw/zinc/25/50/57/551255057.db2.gz	KUDGTNIUZPCJNS-QGZVFWFLSA-N	1	0	364.453	1.845	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H](CO)C2CCCCC2)nc1	ZINC000582726038	551260151	/nfs/dbraw/zinc/26/01/51/551260151.db2.gz	KTQRCNHICGGIDE-MRXNPFEDSA-N	1	0	351.472	1.505	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC([NH2+]CCOC)CC1	ZINC000582852066	551273869	/nfs/dbraw/zinc/27/38/69/551273869.db2.gz	ZARNUNMMAIWLBL-LJQANCHMSA-N	1	0	373.497	1.517	20	30		FDEDRO
C=C(C)Cn1c(C2CCC2)nnc1N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1	ZINC000582946798	551283898	/nfs/dbraw/zinc/28/38/98/551283898.db2.gz	FNEDMBKUXRYQAI-QGZVFWFLSA-N	1	0	372.517	1.912	20	30		FDEDRO
N#Cc1cccc(NC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)n1	ZINC000583023190	551292519	/nfs/dbraw/zinc/29/25/19/551292519.db2.gz	CROFKEYQLLLGCE-UHFFFAOYSA-N	1	0	364.453	1.893	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)c(F)c1	ZINC000583800247	551403580	/nfs/dbraw/zinc/40/35/80/551403580.db2.gz	HQMSBSLUHPPWJM-GASCZTMLSA-N	1	0	368.416	2.346	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2ccnc(-n3cccn3)c2)cc1	ZINC000583929406	551422008	/nfs/dbraw/zinc/42/20/08/551422008.db2.gz	HMQNTKCLWSRFHR-SFHVURJKSA-N	1	0	363.421	1.863	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]CCC(=O)NC2CCCCC2)cc1	ZINC000584585706	551522342	/nfs/dbraw/zinc/52/23/42/551522342.db2.gz	SEDMWCWINQGNBJ-SFHVURJKSA-N	1	0	359.470	1.921	20	30		FDEDRO
C[C@@H]1[C@H](C)N(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC[N@H+]1C	ZINC000584748776	551541412	/nfs/dbraw/zinc/54/14/12/551541412.db2.gz	NOMWCBZAZZACFL-OLZOCXBDSA-N	1	0	356.405	2.439	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)NCc1ccc(C#N)cc1F)c1ccccc1	ZINC000585683401	551581274	/nfs/dbraw/zinc/58/12/74/551581274.db2.gz	VPZVVOQTYUMLRF-SFHVURJKSA-N	1	0	368.412	1.733	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)c1ccc(C#N)cc1	ZINC000585714723	551586064	/nfs/dbraw/zinc/58/60/64/551586064.db2.gz	WWVPVDQMTJUARO-YOEHRIQHSA-N	1	0	356.470	1.972	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N1CCC[C@@H]([NH+]2CCOCC2)CC1	ZINC000585718608	551587138	/nfs/dbraw/zinc/58/71/38/551587138.db2.gz	ONMQNUKIFFRXOB-MOPGFXCFSA-N	1	0	357.454	1.959	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)c1cccc(C#N)c1	ZINC000585723105	551587919	/nfs/dbraw/zinc/58/79/19/551587919.db2.gz	XYXLABXCPCIWIS-ACJLOTCBSA-N	1	0	360.483	1.289	20	30		FDEDRO
CCCC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(C#N)cc2F)CC1	ZINC000586843760	551624840	/nfs/dbraw/zinc/62/48/40/551624840.db2.gz	NSRBJKOQXQTGOV-UHFFFAOYSA-N	1	0	360.433	1.694	20	30		FDEDRO
CC(C)[NH+](CCCNC(=O)C(=O)NCc1ccc(C#N)cc1F)C(C)C	ZINC000586864760	551628012	/nfs/dbraw/zinc/62/80/12/551628012.db2.gz	BECLYRMHVSQPDF-UHFFFAOYSA-N	1	0	362.449	1.939	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c(F)c1	ZINC000586864942	551628194	/nfs/dbraw/zinc/62/81/94/551628194.db2.gz	SPDFIGWPDYOVKE-QGZVFWFLSA-N	1	0	372.444	1.790	20	30		FDEDRO
C[C@H](c1ccccc1)[C@@H](CO)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000588967452	551701612	/nfs/dbraw/zinc/70/16/12/551701612.db2.gz	SCNGYUVQUBZZJN-RHSMWYFYSA-N	1	0	359.451	1.481	20	30		FDEDRO
C[NH+](C)Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1	ZINC000589300684	551723843	/nfs/dbraw/zinc/72/38/43/551723843.db2.gz	OEEKLPZVIWYMGD-UHFFFAOYSA-N	1	0	372.450	1.537	20	30		FDEDRO
CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000589621412	551738912	/nfs/dbraw/zinc/73/89/12/551738912.db2.gz	DAPLOVVJTMWDEW-AWEZNQCLSA-N	1	0	374.489	1.984	20	30		FDEDRO
C[C@H](c1ccccc1)[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)C(N)=O	ZINC000590000496	551755880	/nfs/dbraw/zinc/75/58/80/551755880.db2.gz	KQSUKUDRMMGAFI-XFQXTVEOSA-N	1	0	367.449	1.740	20	30		FDEDRO
N#CC1(CC(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CC1	ZINC000590229733	551766197	/nfs/dbraw/zinc/76/61/97/551766197.db2.gz	BESIEWZSXTVXKA-KRWDZBQOSA-N	1	0	354.454	1.694	20	30		FDEDRO
CCN(CC)C(=O)C[NH+]1CCC(NC(=O)CNc2ccc(C#N)cc2)CC1	ZINC000590366796	551776315	/nfs/dbraw/zinc/77/63/15/551776315.db2.gz	VHVJYBVURSHPGO-UHFFFAOYSA-N	1	0	371.485	1.419	20	30		FDEDRO
CC(C)C[C@H](NC(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000590399502	551780413	/nfs/dbraw/zinc/78/04/13/551780413.db2.gz	YRUFVRJRRLARGK-MSOLQXFVSA-N	1	0	356.470	1.865	20	30		FDEDRO
CN(CC[N@H+](C)Cc1ccnc(C#N)c1)c1ccc(S(N)(=O)=O)cc1	ZINC000590749104	551811623	/nfs/dbraw/zinc/81/16/23/551811623.db2.gz	ZXSPGFLRIUCJGW-UHFFFAOYSA-N	1	0	359.455	1.169	20	30		FDEDRO
COC(=O)[C@@H]1CSCC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000591059499	551840354	/nfs/dbraw/zinc/84/03/54/551840354.db2.gz	BEAWTQQPBZDGNT-JKSUJKDBSA-N	1	0	364.467	1.330	20	30		FDEDRO
C=CCOCC(=O)N1CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC1	ZINC000591162716	551848426	/nfs/dbraw/zinc/84/84/26/551848426.db2.gz	GZRNHBDMYZPRID-UHFFFAOYSA-N	1	0	353.507	1.663	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1	ZINC000591304481	551859470	/nfs/dbraw/zinc/85/94/70/551859470.db2.gz	GQZUXSAUARFCAL-GDBMZVCRSA-N	1	0	356.426	1.494	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)Nc3cnc4c(c3)C[NH2+]CC4)CC2)n1	ZINC000591310943	551860575	/nfs/dbraw/zinc/86/05/75/551860575.db2.gz	SXIGFKIPPKZRPB-UHFFFAOYSA-N	1	0	363.425	1.348	20	30		FDEDRO
N#Cc1ccc(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(F)c1	ZINC000591350883	551865048	/nfs/dbraw/zinc/86/50/48/551865048.db2.gz	LDDJOEBIXVJNLJ-CQSZACIVSA-N	1	0	373.354	1.333	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CCC[NH2+]CC3)C2=O)cc1	ZINC000591356499	551865701	/nfs/dbraw/zinc/86/57/01/551865701.db2.gz	AJGGQVWZXFMCSJ-WBVHZDCISA-N	1	0	355.442	1.495	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1	ZINC000591361264	551866151	/nfs/dbraw/zinc/86/61/51/551866151.db2.gz	PJUOJMFRZOAHDZ-HNNXBMFYSA-N	1	0	372.473	1.773	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@H]([NH3+])[C@H](CC)C1	ZINC000591576901	551880636	/nfs/dbraw/zinc/88/06/36/551880636.db2.gz	MCHYHWPNZBPPGD-MSOLQXFVSA-N	1	0	354.454	1.659	20	30		FDEDRO
CCOC(=O)c1cccc(OC[C@@H](O)C[NH2+]C2CCN(CC#N)CC2)c1	ZINC000591736087	551904839	/nfs/dbraw/zinc/90/48/39/551904839.db2.gz	JAHDPHIOEHBXES-KRWDZBQOSA-N	1	0	361.442	1.181	20	30		FDEDRO
C[C@H](O)C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1	ZINC000591754064	551906054	/nfs/dbraw/zinc/90/60/54/551906054.db2.gz	YTEMZGFYRMQMDE-YJBOKZPZSA-N	1	0	373.478	1.871	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)cc1	ZINC000591754188	551906420	/nfs/dbraw/zinc/90/64/20/551906420.db2.gz	HFOGFPNPZGIDBO-MOPGFXCFSA-N	1	0	371.481	1.873	20	30		FDEDRO
COCC(C)(C)[NH+]1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000591850844	551911602	/nfs/dbraw/zinc/91/16/02/551911602.db2.gz	VQPFPUOCNCIVPW-GOSISDBHSA-N	1	0	361.486	1.535	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@H](O)C[C@@H](C(=O)OC)C1)C(C)C	ZINC000591910448	551915832	/nfs/dbraw/zinc/91/58/32/551915832.db2.gz	CYVIYCCGJAHCJB-BRWVUGGUSA-N	1	0	367.490	1.250	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2ccc(NS(C)(=O)=O)cc2)CC1	ZINC000592075693	551936428	/nfs/dbraw/zinc/93/64/28/551936428.db2.gz	WVTSERJVPDQDGT-UHFFFAOYSA-N	1	0	351.472	1.828	20	30		FDEDRO
Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CC[C@@](O)(CC#N)C2)CC1	ZINC000592145890	551949022	/nfs/dbraw/zinc/94/90/22/551949022.db2.gz	ASKKHYUBMFFZFB-NRFANRHFSA-N	1	0	370.497	1.380	20	30		FDEDRO
N#CC[C@@]1(O)CC[N@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1	ZINC000592148121	551949604	/nfs/dbraw/zinc/94/96/04/551949604.db2.gz	QXZGRDZTTHCMQN-LJQANCHMSA-N	1	0	356.426	1.492	20	30		FDEDRO
C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@H](C(=O)NCc2ccccc2)C1)C1CC1	ZINC000592155330	551951235	/nfs/dbraw/zinc/95/12/35/551951235.db2.gz	NRHQCIPDXVPSHS-OXJNMPFZSA-N	1	0	354.454	1.433	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN([C@H]1CCN(c3sccc3C#N)C1=O)CCO2	ZINC000592185557	551955548	/nfs/dbraw/zinc/95/55/48/551955548.db2.gz	YOSNUPOYWHMXTN-HNNXBMFYSA-N	1	0	360.483	1.522	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Cc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000592313475	551978473	/nfs/dbraw/zinc/97/84/73/551978473.db2.gz	RUNOLXHYJIRAQO-UHFFFAOYSA-N	1	0	351.472	1.033	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCc2ccc(CC#N)cc2)C1	ZINC000592339276	551981941	/nfs/dbraw/zinc/98/19/41/551981941.db2.gz	NAIZMNXHWCWVKL-LJQANCHMSA-N	1	0	370.497	1.853	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@H]2CNS(C)(=O)=O)CC1	ZINC000592351636	551983488	/nfs/dbraw/zinc/98/34/88/551983488.db2.gz	GRZHBLKDMPPWJN-INIZCTEOSA-N	1	0	372.535	1.140	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(-n3cccn3)c2)CC1	ZINC000592359117	551984121	/nfs/dbraw/zinc/98/41/21/551984121.db2.gz	JYOYOIKVOVBUDL-UHFFFAOYSA-N	1	0	367.453	1.968	20	30		FDEDRO
CC(C)[NH2+]CCCNS(=O)(=O)c1cccc(Br)c1C#N	ZINC000592368133	551985069	/nfs/dbraw/zinc/98/50/69/551985069.db2.gz	SVUBYVDWTXFZAT-UHFFFAOYSA-N	1	0	360.277	1.987	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2C#N)CCO1	ZINC000592374744	551985864	/nfs/dbraw/zinc/98/58/64/551985864.db2.gz	QBSLFJPYFIAMQI-CABZTGNLSA-N	1	0	374.260	1.057	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCCc3c2cnn3CCO)cc1	ZINC000592429309	551994229	/nfs/dbraw/zinc/99/42/29/551994229.db2.gz	GNIDJYOVIGGLSO-QFBILLFUSA-N	1	0	370.453	1.348	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+])c1cccc(C#N)c1	ZINC000592441898	551996048	/nfs/dbraw/zinc/99/60/48/551996048.db2.gz	AAQRRXZGNYQCBG-KUHUBIRLSA-N	1	0	362.433	1.820	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1	ZINC000592442343	551996273	/nfs/dbraw/zinc/99/62/73/551996273.db2.gz	MZYNXQGYYWNNAP-UHFFFAOYSA-N	1	0	354.454	1.359	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)cc1	ZINC000592499894	552002819	/nfs/dbraw/zinc/00/28/19/552002819.db2.gz	PGPTYRIYJNXFBP-CQSZACIVSA-N	1	0	353.426	1.887	20	30		FDEDRO
COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000592530910	552005123	/nfs/dbraw/zinc/00/51/23/552005123.db2.gz	HCFUPJGEGMWQOH-FUHWJXTLSA-N	1	0	368.437	1.820	20	30		FDEDRO
CC(C)O[C@@H]1CCC[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1	ZINC000593055919	552056734	/nfs/dbraw/zinc/05/67/34/552056734.db2.gz	USAKIGMPAPXPBP-QZTJIDSGSA-N	1	0	350.507	1.568	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(N3C(=O)N[C@@]4(CCOC4)C3=O)CC2)c1	ZINC000593232884	552075215	/nfs/dbraw/zinc/07/52/15/552075215.db2.gz	RQKQFEGOICJIHW-LJQANCHMSA-N	1	0	354.410	1.234	20	30		FDEDRO
N#CCNC(=O)CNC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1	ZINC000593269176	552079600	/nfs/dbraw/zinc/07/96/00/552079600.db2.gz	ILVDGBFPOYLLCW-UHFFFAOYSA-N	1	0	361.471	1.636	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)COC[C@@H]3CCCO3)CC2)c1	ZINC000593352894	552094479	/nfs/dbraw/zinc/09/44/79/552094479.db2.gz	GZAMAMIWBUAYBB-IBGZPJMESA-N	1	0	357.454	1.834	20	30		FDEDRO
Cn1ccc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1=O	ZINC000593353863	552094562	/nfs/dbraw/zinc/09/45/62/552094562.db2.gz	GXWQVGDZOUFSHD-UHFFFAOYSA-N	1	0	350.422	1.651	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NCC[C@@]3(O)CCOC3)CC2)c1	ZINC000593458186	552111789	/nfs/dbraw/zinc/11/17/89/552111789.db2.gz	JBSYZBCFFQKBRU-HXUWFJFHSA-N	1	0	372.469	1.363	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC[C@]1(O)CCOC1	ZINC000593459751	552111791	/nfs/dbraw/zinc/11/17/91/552111791.db2.gz	YJAAUZBVLIALNF-IBGZPJMESA-N	1	0	360.458	1.173	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NCCCOCCO)CC2)c1	ZINC000593512995	552120284	/nfs/dbraw/zinc/12/02/84/552120284.db2.gz	BPBDDMOTNVPVKB-UHFFFAOYSA-N	1	0	360.458	1.221	20	30		FDEDRO
C[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@H]1CO	ZINC000593514639	552120820	/nfs/dbraw/zinc/12/08/20/552120820.db2.gz	XSBSHIXKHNGBBS-BEFAXECRSA-N	1	0	356.470	1.935	20	30		FDEDRO
CC[C@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C(=O)NC	ZINC000593519001	552121545	/nfs/dbraw/zinc/12/15/45/552121545.db2.gz	YUOHPPZISCCWAK-KRWDZBQOSA-N	1	0	357.458	1.346	20	30		FDEDRO
C[C@H](O)[C@@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCO1	ZINC000593518866	552121551	/nfs/dbraw/zinc/12/15/51/552121551.db2.gz	XNJPQJGCHADGPS-KXBFYZLASA-N	1	0	372.469	1.314	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)cc1C(=O)OC	ZINC000593524967	552122735	/nfs/dbraw/zinc/12/27/35/552122735.db2.gz	XYCRMOMPWIRGRD-CYBMUJFWSA-N	1	0	351.428	1.107	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)NC1CCC([NH+](C)C)CC1	ZINC000593607068	552150337	/nfs/dbraw/zinc/15/03/37/552150337.db2.gz	DKAZAMGWTJPUTF-UHFFFAOYSA-N	1	0	365.455	1.496	20	30		FDEDRO
COc1cc(CNC(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)ccc1C#N	ZINC000593710088	552179491	/nfs/dbraw/zinc/17/94/91/552179491.db2.gz	FRSNBVCSPOYGMZ-YQVWRLOYSA-N	1	0	372.469	1.995	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c(F)c1	ZINC000593766019	552193778	/nfs/dbraw/zinc/19/37/78/552193778.db2.gz	BGYGMEGOBDQZFK-JJRVBVJISA-N	1	0	374.416	1.381	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C[C@H]1C[NH3+]	ZINC000593771274	552195236	/nfs/dbraw/zinc/19/52/36/552195236.db2.gz	QTAZXCIUBJVAFB-RHSMWYFYSA-N	1	0	374.441	1.106	20	30		FDEDRO
N#Cc1cccc2c1CN(C(=O)C(=O)Nc1cnc3c(c1)C[C@@H]([NH3+])CC3)C2	ZINC000593778727	552195807	/nfs/dbraw/zinc/19/58/07/552195807.db2.gz	QNQZPVFREMFBPU-HNNXBMFYSA-N	1	0	361.405	1.250	20	30		FDEDRO
CN(CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C(=O)C1CC1	ZINC000593884296	552216896	/nfs/dbraw/zinc/21/68/96/552216896.db2.gz	WANVQSOFIXAGGN-UHFFFAOYSA-N	1	0	354.454	1.507	20	30		FDEDRO
CNC(=O)C1(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCC1	ZINC000593883720	552216910	/nfs/dbraw/zinc/21/69/10/552216910.db2.gz	SBWKXYGWZORFFX-UHFFFAOYSA-N	1	0	354.454	1.555	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)C(=O)NC3CCCC3)CC2)c1	ZINC000593926433	552227092	/nfs/dbraw/zinc/22/70/92/552227092.db2.gz	MUSAGZZTDXSVON-UHFFFAOYSA-N	1	0	354.454	1.698	20	30		FDEDRO
N#Cc1cccc2c1CN(C(=O)NCC(=O)NCC[NH+]1CCCCCC1)C2	ZINC000593925656	552227149	/nfs/dbraw/zinc/22/71/49/552227149.db2.gz	PRAGGDMRTJNTDV-UHFFFAOYSA-N	1	0	369.469	1.576	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CCC1	ZINC000593927929	552227750	/nfs/dbraw/zinc/22/77/50/552227750.db2.gz	IWPSTLCCQFMLKC-HNNXBMFYSA-N	1	0	368.481	1.944	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1ccc(OCC(F)(F)F)nn1	ZINC000593968873	552233819	/nfs/dbraw/zinc/23/38/19/552233819.db2.gz	UGVGIJAYRKAHID-UHFFFAOYSA-N	1	0	369.351	1.659	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(N3CN=NC3=O)CC2)cc1	ZINC000593981989	552234557	/nfs/dbraw/zinc/23/45/57/552234557.db2.gz	AQPDODBUSLHGIF-INIZCTEOSA-N	1	0	357.414	1.127	20	30		FDEDRO
COCC[N@H+](CCC(=O)Nc1cccc(C#N)c1)C[C@@H](O)C(F)(F)F	ZINC000594017823	552238945	/nfs/dbraw/zinc/23/89/45/552238945.db2.gz	PDRDDKWSYQIBFZ-CQSZACIVSA-N	1	0	359.348	1.758	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)n1	ZINC000594284471	552278057	/nfs/dbraw/zinc/27/80/57/552278057.db2.gz	YVSYEPKQMYWANU-QZTJIDSGSA-N	1	0	368.485	1.802	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000594323910	552287782	/nfs/dbraw/zinc/28/77/82/552287782.db2.gz	SSCUFVRVDUQKNC-QFBILLFUSA-N	1	0	368.481	1.502	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1	ZINC000594427842	552308511	/nfs/dbraw/zinc/30/85/11/552308511.db2.gz	KEONCSNIIOCCFN-KRWDZBQOSA-N	1	0	358.442	1.186	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1	ZINC000594431240	552308553	/nfs/dbraw/zinc/30/85/53/552308553.db2.gz	JZHLEDQEJSQNGL-OAHLLOKOSA-N	1	0	364.396	1.660	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000594433978	552309068	/nfs/dbraw/zinc/30/90/68/552309068.db2.gz	VOBGBIQSQIICJA-MRXNPFEDSA-N	1	0	373.413	1.290	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)NCc1nc2cc(Br)cnc2[nH]1	ZINC000594438536	552310197	/nfs/dbraw/zinc/31/01/97/552310197.db2.gz	JXNVEPSYWMVRAQ-SNVBAGLBSA-N	1	0	365.235	1.748	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1	ZINC000594438945	552310347	/nfs/dbraw/zinc/31/03/47/552310347.db2.gz	RHGZQTNLBLOHAF-MSOLQXFVSA-N	1	0	362.449	1.726	20	30		FDEDRO
Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)C2)nc1	ZINC000594440630	552310940	/nfs/dbraw/zinc/31/09/40/552310940.db2.gz	HEYSTMOMEMUVFO-CVEARBPZSA-N	1	0	357.458	1.978	20	30		FDEDRO
CN1CCN(C(=O)c2ccccc2NC(=O)[C@@H]([NH3+])CCCCC#N)CC1	ZINC000594441032	552310980	/nfs/dbraw/zinc/31/09/80/552310980.db2.gz	LJVSCILDEGMAJZ-INIZCTEOSA-N	1	0	357.458	1.424	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1	ZINC000594440934	552311127	/nfs/dbraw/zinc/31/11/27/552311127.db2.gz	JNFQNMAFTBZOEE-GOSISDBHSA-N	1	0	371.485	1.617	20	30		FDEDRO
C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)cn2)C[C@H](C)O1	ZINC000594440943	552311167	/nfs/dbraw/zinc/31/11/67/552311167.db2.gz	JPVZQXOUIUPCGG-UXLLHSPISA-N	1	0	359.474	1.723	20	30		FDEDRO
Cc1ccc([C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)N2CCOCC2)cc1	ZINC000594440917	552311327	/nfs/dbraw/zinc/31/13/27/552311327.db2.gz	JFYLOYLWVOJGBL-RTBURBONSA-N	1	0	358.486	1.896	20	30		FDEDRO
Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)[C@@H]([NH3+])CCCCC#N	ZINC000594442395	552311706	/nfs/dbraw/zinc/31/17/06/552311706.db2.gz	FHFCTVCYYATSNE-DOTOQJQBSA-N	1	0	358.442	1.954	20	30		FDEDRO
COc1cc(OC)cc(N2CC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C2=O)c1	ZINC000594445428	552312116	/nfs/dbraw/zinc/31/21/16/552312116.db2.gz	FHSXZUDCXHCYKM-IRXDYDNUSA-N	1	0	374.441	1.337	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1	ZINC000594447235	552312140	/nfs/dbraw/zinc/31/21/40/552312140.db2.gz	WALYQDKNFBIYGS-HZPDHXFCSA-N	1	0	370.519	1.251	20	30		FDEDRO
COc1ccc(CN2CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC2)cc1F	ZINC000594445806	552312149	/nfs/dbraw/zinc/31/21/49/552312149.db2.gz	MJQUZMRAYYDWEX-KRWDZBQOSA-N	1	0	362.449	1.890	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)N1CCOCC1	ZINC000594446512	552312162	/nfs/dbraw/zinc/31/21/62/552312162.db2.gz	UUAVNBRZDGAPKS-LSDHHAIUSA-N	1	0	350.488	1.649	20	30		FDEDRO
Cn1ncc2c1nc(N)nc2NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000594587000	552337959	/nfs/dbraw/zinc/33/79/59/552337959.db2.gz	PZGYNHPVDNOOBM-UHFFFAOYSA-N	1	0	362.441	1.894	20	30		FDEDRO
Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C	ZINC000594766399	552376762	/nfs/dbraw/zinc/37/67/62/552376762.db2.gz	VMKKCYWRXKLIKG-MRXNPFEDSA-N	1	0	367.496	1.672	20	30		FDEDRO
Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCCO[C@@H](C[NH3+])C1	ZINC000595109735	552453998	/nfs/dbraw/zinc/45/39/98/552453998.db2.gz	LUUBLNFVQWGYSX-ZDUSSCGKSA-N	1	0	365.480	1.820	20	30		FDEDRO
COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)c2ccc(C#N)o2)cc1	ZINC000595119533	552457230	/nfs/dbraw/zinc/45/72/30/552457230.db2.gz	FEKIOPJEIDTHFM-HOTGVXAUSA-N	1	0	361.423	1.584	20	30		FDEDRO
C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@](C)(C#N)C3)c2)CC1	ZINC000595208340	552490713	/nfs/dbraw/zinc/49/07/13/552490713.db2.gz	RMWUONIMRRAAIL-HXUWFJFHSA-N	1	0	369.469	1.135	20	30		FDEDRO
C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)N3CC[C@](C)(C#N)C3)cccc21	ZINC000595212525	552492575	/nfs/dbraw/zinc/49/25/75/552492575.db2.gz	LINSEWMQIHWLBO-DNVCBOLYSA-N	1	0	356.426	1.772	20	30		FDEDRO
C=CCCSCCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000595273104	552509560	/nfs/dbraw/zinc/50/95/60/552509560.db2.gz	IZSVMLIRVJGVIC-LBPRGKRZSA-N	1	0	354.442	1.431	20	30		FDEDRO
C[NH2+]C[C@@H](C)NC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000595276276	552510229	/nfs/dbraw/zinc/51/02/29/552510229.db2.gz	WTFVVQAZTBUJOX-CQSZACIVSA-N	1	0	352.442	1.546	20	30		FDEDRO
N#Cc1ccccc1-c1ccc(CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)cc1	ZINC000595282627	552511707	/nfs/dbraw/zinc/51/17/07/552511707.db2.gz	VFYZYEVKVZXDGG-UHFFFAOYSA-N	1	0	374.444	1.791	20	30		FDEDRO
CC(C)(C)C(=O)N1CCC[C@H](CN(CCC#N)CCN2CCOCC2)C1	ZINC000595331593	552527469	/nfs/dbraw/zinc/52/74/69/552527469.db2.gz	AUOORGSQGOTBNC-GOSISDBHSA-N	1	0	364.534	1.819	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@@H]([NH+]2CCOCC2)CC1	ZINC000595470061	552567785	/nfs/dbraw/zinc/56/77/85/552567785.db2.gz	LNCBYSJJRCJULQ-LMMKCTJWSA-N	1	0	350.507	1.616	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000595491391	552571597	/nfs/dbraw/zinc/57/15/97/552571597.db2.gz	WDUUWPSVBYUJIQ-KRWDZBQOSA-N	1	0	356.474	1.706	20	30		FDEDRO
C[C@@]1(C#N)CCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1	ZINC000595495080	552571927	/nfs/dbraw/zinc/57/19/27/552571927.db2.gz	NRLQBLGYDQMZBQ-IBGZPJMESA-N	1	0	371.489	1.324	20	30		FDEDRO
CN(Cc1cn(C)nn1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000595654533	552597868	/nfs/dbraw/zinc/59/78/68/552597868.db2.gz	WBHGYTHMZICONK-UHFFFAOYSA-N	1	0	367.457	1.493	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000595661158	552598804	/nfs/dbraw/zinc/59/88/04/552598804.db2.gz	JAUIYPSXDBELSC-INIZCTEOSA-N	1	0	356.474	1.658	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000595663205	552599848	/nfs/dbraw/zinc/59/98/48/552599848.db2.gz	SNLARIDXQIHSOO-INIZCTEOSA-N	1	0	356.474	1.658	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N1CCN(c2cnccc2C#N)CC1	ZINC000595665512	552600059	/nfs/dbraw/zinc/60/00/59/552600059.db2.gz	VGWVVEUHYRCNMM-INIZCTEOSA-N	1	0	356.474	1.658	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H](C)[C@H]2CCO)CC1	ZINC000595698502	552603903	/nfs/dbraw/zinc/60/39/03/552603903.db2.gz	MPOHDZPTWMAGPV-KSZLIROESA-N	1	0	350.507	1.162	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1	ZINC000595745699	552610103	/nfs/dbraw/zinc/61/01/03/552610103.db2.gz	ZJIFRMYVGZATQA-RYRKJORJSA-N	1	0	354.454	1.922	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@H](CN4CCCC4=O)C3)C2=O)cc1	ZINC000595828902	552620908	/nfs/dbraw/zinc/62/09/08/552620908.db2.gz	MRAYSQJCEHSDHX-PKOBYXMFSA-N	1	0	366.465	1.998	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000595904189	552631192	/nfs/dbraw/zinc/63/11/92/552631192.db2.gz	ACZJMOKWQFGQPI-IRXDYDNUSA-N	1	0	350.507	1.760	20	30		FDEDRO
COCC1([NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CCCCC1	ZINC000595907591	552631722	/nfs/dbraw/zinc/63/17/22/552631722.db2.gz	BLUKWCAPJROYHR-QGZVFWFLSA-N	1	0	350.507	1.618	20	30		FDEDRO
CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595970836	552640311	/nfs/dbraw/zinc/64/03/11/552640311.db2.gz	OKAZSSMENBWASB-KUHUBIRLSA-N	1	0	366.469	1.970	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CCN(C(=O)C[C@H]4CC[NH2+]C4)CC3)n[nH]2)cc1	ZINC000595972602	552640402	/nfs/dbraw/zinc/64/04/02/552640402.db2.gz	XAJJSNOFLFUSDH-MRXNPFEDSA-N	1	0	364.453	1.597	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)cc1	ZINC000595985391	552641083	/nfs/dbraw/zinc/64/10/83/552641083.db2.gz	IZXGGXWXNREFED-QGZVFWFLSA-N	1	0	364.453	1.711	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](NC3CC[NH+]([C@@H]4CCOC4)CC3)C2=O)cc1	ZINC000596047319	552649589	/nfs/dbraw/zinc/64/95/89/552649589.db2.gz	PKFJHPIFNPCCNN-MOPGFXCFSA-N	1	0	354.454	1.506	20	30		FDEDRO
C[C@H]1CN(CCNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)[C@@H](C)CO1	ZINC000596429271	552678489	/nfs/dbraw/zinc/67/84/89/552678489.db2.gz	IXKYMFKCSBTTMX-STQMWFEESA-N	1	0	355.398	2.536	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)ccc1F	ZINC000596568862	552689852	/nfs/dbraw/zinc/68/98/52/552689852.db2.gz	CVGWYMFVOQLQMB-AWEZNQCLSA-N	1	0	358.417	1.874	20	30		FDEDRO
CN(CC1C[NH+](C)C1)C(=O)NC1CCC(Oc2ncccc2C#N)CC1	ZINC000596579105	552691186	/nfs/dbraw/zinc/69/11/86/552691186.db2.gz	SFIHTDBDWRMKPE-UHFFFAOYSA-N	1	0	357.458	1.846	20	30		FDEDRO
COc1cc(CNC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)ccc1C#N	ZINC000596604820	552693718	/nfs/dbraw/zinc/69/37/18/552693718.db2.gz	LFCYIOYPXDRZIA-KRWDZBQOSA-N	1	0	358.442	1.307	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCCc3ccc(C#N)cc3)CC2)C1	ZINC000596673895	552700031	/nfs/dbraw/zinc/70/00/31/552700031.db2.gz	QYEMFOGQEOZAQD-IBGZPJMESA-N	1	0	355.486	1.522	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)CC3(C#N)CCOCC3)cn2)CC1	ZINC000596703993	552703592	/nfs/dbraw/zinc/70/35/92/552703592.db2.gz	WVERSACWRZTHAK-UHFFFAOYSA-N	1	0	357.458	1.160	20	30		FDEDRO
C=CCOc1ccc(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1	ZINC000597028622	552736828	/nfs/dbraw/zinc/73/68/28/552736828.db2.gz	HSQNTADBAJBSQD-UHFFFAOYSA-N	1	0	359.470	1.924	20	30		FDEDRO
C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1	ZINC000597184124	552758803	/nfs/dbraw/zinc/75/88/03/552758803.db2.gz	GVJDEAXCXKSBQY-HZPDHXFCSA-N	1	0	356.470	1.972	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)C(=O)NCC2(C#N)CCCCC2)CC1	ZINC000597248780	552765156	/nfs/dbraw/zinc/76/51/56/552765156.db2.gz	FDUHAESMNFZPAB-UHFFFAOYSA-N	1	0	364.490	1.194	20	30		FDEDRO
Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000597273420	552768409	/nfs/dbraw/zinc/76/84/09/552768409.db2.gz	GGJBQJNAUQGAJS-KRWDZBQOSA-N	1	0	354.458	1.901	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)CCCCC1	ZINC000597401166	552784542	/nfs/dbraw/zinc/78/45/42/552784542.db2.gz	OFGSOSAKPMCOHP-UHFFFAOYSA-N	1	0	360.502	1.911	20	30		FDEDRO
CC(C)C[C@H](NC(=O)c1cscc1C#N)C(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000597693322	552822708	/nfs/dbraw/zinc/82/27/08/552822708.db2.gz	VVKZBGSVXPPRKT-ZBFHGGJFSA-N	1	0	362.499	1.927	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCc3cc(C#N)ccc32)CC1=O	ZINC000597775221	552831412	/nfs/dbraw/zinc/83/14/12/552831412.db2.gz	FVISHBKDNHJEGQ-QZTJIDSGSA-N	1	0	366.465	1.780	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCc3cc(C#N)ccc32)CC1=O	ZINC000597775222	552831451	/nfs/dbraw/zinc/83/14/51/552831451.db2.gz	FVISHBKDNHJEGQ-ROUUACIJSA-N	1	0	366.465	1.780	20	30		FDEDRO
CN1C(=O)CC[C@H]1CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000597817831	552836078	/nfs/dbraw/zinc/83/60/78/552836078.db2.gz	BGGRPTOOEKMLNB-SFHVURJKSA-N	1	0	354.454	1.650	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000597858127	552841313	/nfs/dbraw/zinc/84/13/13/552841313.db2.gz	JXMLILOBHHXISO-INIZCTEOSA-N	1	0	352.442	1.929	20	30		FDEDRO
N#Cc1ccccc1OCC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1	ZINC000597989988	552852982	/nfs/dbraw/zinc/85/29/82/552852982.db2.gz	JBIXAGYHNBHVGT-LJQANCHMSA-N	1	0	365.433	1.820	20	30		FDEDRO
N#Cc1cccc(-n2ccc(C(=O)N3CCC([N@@H+]4CC[C@H](O)C4)CC3)n2)c1	ZINC000598451076	552896657	/nfs/dbraw/zinc/89/66/57/552896657.db2.gz	NAYPIVLXAOBBBE-SFHVURJKSA-N	1	0	365.437	1.415	20	30		FDEDRO
CO[C@@H](C)c1noc(CN2CCC[N@H+](C[C@@H](O)CC(C)(C)C#N)CC2)n1	ZINC000598594088	552912947	/nfs/dbraw/zinc/91/29/47/552912947.db2.gz	YTTIAWQERXWCGO-GJZGRUSLSA-N	1	0	365.478	1.585	20	30		FDEDRO
Cn1ccnc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)C[C@H](O)CC(C)(C)C#N	ZINC000598607236	552914782	/nfs/dbraw/zinc/91/47/82/552914782.db2.gz	LXZYJJMIJLKXTK-HRCADAONSA-N	1	0	351.470	1.565	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)c2cc3c(cc2Br)OCO3)CC1	ZINC000598658393	552921103	/nfs/dbraw/zinc/92/11/03/552921103.db2.gz	KTZCBXUZBAKALJ-UHFFFAOYSA-N	1	0	366.215	1.896	20	30		FDEDRO
Cc1cc(S(=O)(=O)NCC[NH2+]C[C@@H](O)CC(C)(C)C#N)c(C)s1	ZINC000598725340	552928344	/nfs/dbraw/zinc/92/83/44/552928344.db2.gz	NYZDYLNBTQCYOD-ZDUSSCGKSA-N	1	0	359.517	1.534	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F	ZINC000598725558	552928469	/nfs/dbraw/zinc/92/84/69/552928469.db2.gz	XHPCZXFZELZGMA-LBPRGKRZSA-N	1	0	361.414	1.133	20	30		FDEDRO
C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]C[C@H](O)CC(C)(C)C#N	ZINC000598727349	552928478	/nfs/dbraw/zinc/92/84/78/552928478.db2.gz	HBEOJJBFYDSRQF-LSDHHAIUSA-N	1	0	353.488	1.634	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2	ZINC000598729418	552928516	/nfs/dbraw/zinc/92/85/16/552928516.db2.gz	JASNSRXXHKVCKO-LSDHHAIUSA-N	1	0	361.442	1.201	20	30		FDEDRO
N#Cc1cccc(NC(=O)N2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1	ZINC000598914145	552944010	/nfs/dbraw/zinc/94/40/10/552944010.db2.gz	ZWOLVWQITVZBNW-IRXDYDNUSA-N	1	0	368.441	1.310	20	30		FDEDRO
C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1	ZINC000599212833	552987813	/nfs/dbraw/zinc/98/78/13/552987813.db2.gz	IDHNPRCFRSMMSJ-KSZLIROESA-N	1	0	374.533	1.920	20	30		FDEDRO
CCCC(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000599278268	553012933	/nfs/dbraw/zinc/01/29/33/553012933.db2.gz	BJHSSEXBBLTTSS-DLBZAZTESA-N	1	0	351.491	1.686	20	30		FDEDRO
COC(=O)[C@H](C)C[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)C1CC1	ZINC000599280535	553013793	/nfs/dbraw/zinc/01/37/93/553013793.db2.gz	BEKMJWGKIOVZQK-CQSZACIVSA-N	1	0	354.406	1.560	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@H](CN2CCOCC2)c2ccccc2)CCOCC1	ZINC000599346226	553033313	/nfs/dbraw/zinc/03/33/13/553033313.db2.gz	BGKPKKZTYRRQIE-VQTJNVASSA-N	1	0	373.497	1.721	20	30		FDEDRO
CCOC(=O)[C@]1(C(C)C)CC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000599387407	553042905	/nfs/dbraw/zinc/04/29/05/553042905.db2.gz	LJWDBNQBKPRBNC-QFBILLFUSA-N	1	0	352.475	1.969	20	30		FDEDRO
CN1CC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C[C@@H]1Cc1ccccc1	ZINC000599403184	553047171	/nfs/dbraw/zinc/04/71/71/553047171.db2.gz	BYZUSUUZSHEQMK-VQTJNVASSA-N	1	0	357.498	1.916	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)CCOCC1	ZINC000599432268	553055425	/nfs/dbraw/zinc/05/54/25/553055425.db2.gz	OBLWRXQHPSZAEL-BJLQDIEVSA-N	1	0	362.445	1.858	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C1CCOCC1)C1(CO)CCC1	ZINC000599439747	553057304	/nfs/dbraw/zinc/05/73/04/553057304.db2.gz	DNOBVQQOLNQOBS-ICSRJNTNSA-N	1	0	374.481	1.845	20	30		FDEDRO
C[C@@](C#N)(NC(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1)C1CC1	ZINC000599633079	553109113	/nfs/dbraw/zinc/10/91/13/553109113.db2.gz	XREROZRFCISXSW-IBGZPJMESA-N	1	0	352.438	1.962	20	30		FDEDRO
COC(=O)[C@@H]1CC[N@H+](CC(=O)NCc2cccc(C#N)c2)[C@H]2CCC[C@@H]21	ZINC000599661189	553115644	/nfs/dbraw/zinc/11/56/44/553115644.db2.gz	SSAGGJDOFLZLCL-KURKYZTESA-N	1	0	355.438	1.838	20	30		FDEDRO
CCC1([NH+]2CCOCC2)CCN(CC(=O)N(CCC#N)CCC#N)CC1	ZINC000599669490	553117491	/nfs/dbraw/zinc/11/74/91/553117491.db2.gz	NBBUDBQNCBCJNK-UHFFFAOYSA-N	1	0	361.490	1.219	20	30		FDEDRO
COc1cc(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(F)cc1C#N	ZINC000599811187	553153769	/nfs/dbraw/zinc/15/37/69/553153769.db2.gz	RDOREKOEQYXCSO-CQSZACIVSA-N	1	0	362.405	1.769	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2	ZINC000599867041	553163282	/nfs/dbraw/zinc/16/32/82/553163282.db2.gz	ARMIKPGEXUIWSM-UHFFFAOYSA-N	1	0	364.405	1.637	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1C#N	ZINC000599898485	553170601	/nfs/dbraw/zinc/17/06/01/553170601.db2.gz	FBYYZTIVMPWUSY-NWDGAFQWSA-N	1	0	369.347	1.186	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1	ZINC000599903381	553171510	/nfs/dbraw/zinc/17/15/10/553171510.db2.gz	CBENJMFGXAEJEM-SFHVURJKSA-N	1	0	370.453	1.422	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(F)c1	ZINC000599903442	553171620	/nfs/dbraw/zinc/17/16/20/553171620.db2.gz	DOSQSTVVTQTHCX-OAHLLOKOSA-N	1	0	374.416	1.253	20	30		FDEDRO
N#Cc1ccsc1NC(=O)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1	ZINC000599904034	553172050	/nfs/dbraw/zinc/17/20/50/553172050.db2.gz	TYQSLILVYDWNQR-AWEZNQCLSA-N	1	0	362.455	1.175	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)c(F)cc1C#N	ZINC000599932170	553176467	/nfs/dbraw/zinc/17/64/67/553176467.db2.gz	NDAQLRUYSVOQRU-UHFFFAOYSA-N	1	0	362.405	1.637	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c(F)cc1C#N	ZINC000599942388	553180583	/nfs/dbraw/zinc/18/05/83/553180583.db2.gz	CCMKWLVBJAHLIJ-CYBMUJFWSA-N	1	0	360.389	1.341	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c(F)cc1C#N	ZINC000599973132	553189883	/nfs/dbraw/zinc/18/98/83/553189883.db2.gz	QEEIACNECOCQAP-ABAIWWIYSA-N	1	0	362.405	1.443	20	30		FDEDRO
CCN(C(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C1CC[NH+](C)CC1	ZINC000599985641	553193893	/nfs/dbraw/zinc/19/38/93/553193893.db2.gz	IIOYEXJGHVAPFN-UHFFFAOYSA-N	1	0	352.442	1.882	20	30		FDEDRO
Cn1cc(CCn2c3c(cc(C#N)c2=O)C[N@@H+](Cc2ccccc2)CC3)nn1	ZINC000600564434	553284909	/nfs/dbraw/zinc/28/49/09/553284909.db2.gz	WWXGBOZHAVUITE-UHFFFAOYSA-N	1	0	374.448	1.649	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]Cc2ccccc2Cn2cncn2)CCOCC1	ZINC000600718200	553306626	/nfs/dbraw/zinc/30/66/26/553306626.db2.gz	OGEQOJSUBRDFBX-SFHVURJKSA-N	1	0	355.442	1.487	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)CCOCC1	ZINC000600720227	553306822	/nfs/dbraw/zinc/30/68/22/553306822.db2.gz	XUWOEJHTJTUSCJ-UXHICEINSA-N	1	0	373.497	1.721	20	30		FDEDRO
CCOc1ccc(NC(=O)C[NH2+]C[C@H](O)COc2ccccc2C#N)cc1	ZINC000600722755	553307052	/nfs/dbraw/zinc/30/70/52/553307052.db2.gz	UHFIIKRONMQXSS-KRWDZBQOSA-N	1	0	369.421	1.925	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCCNC(=O)c1cccc(F)c1	ZINC000600728163	553308588	/nfs/dbraw/zinc/30/85/88/553308588.db2.gz	SBLXFBXPSSAFLR-SFHVURJKSA-N	1	0	371.412	1.847	20	30		FDEDRO
CCS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)COc2ccccc2C#N)cc1	ZINC000600733307	553308719	/nfs/dbraw/zinc/30/87/19/553308719.db2.gz	YQFCATGSUKKUPQ-KRWDZBQOSA-N	1	0	374.462	1.881	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCCc2c1cnn2CCO	ZINC000600740673	553309629	/nfs/dbraw/zinc/30/96/29/553309629.db2.gz	ZXRZGWPGXCQLCT-NVXWUHKLSA-N	1	0	356.426	1.154	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)CCOCC1	ZINC000600740768	553309750	/nfs/dbraw/zinc/30/97/50/553309750.db2.gz	BDECEKQESUGYAM-HZPDHXFCSA-N	1	0	368.424	1.777	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H](CO)Cc1c[nH]c2ccccc12	ZINC000600742212	553309872	/nfs/dbraw/zinc/30/98/72/553309872.db2.gz	IYYYLLMRZYOOES-ZWKOTPCHSA-N	1	0	365.433	1.972	20	30		FDEDRO
N#Cc1ccc(Oc2ccc(C(=O)NCC[N@H+]3CC[C@H](O)C3)cc2)nc1	ZINC000600808303	553317309	/nfs/dbraw/zinc/31/73/09/553317309.db2.gz	KVBCNFVVKDDNOQ-INIZCTEOSA-N	1	0	352.394	1.542	20	30		FDEDRO
N#Cc1cccc(OCc2ccoc2C(=O)NCC[N@H+]2CC[C@H](O)C2)c1	ZINC000600809271	553317392	/nfs/dbraw/zinc/31/73/92/553317392.db2.gz	YDCLOCPXQBYSGE-INIZCTEOSA-N	1	0	355.394	1.527	20	30		FDEDRO
COC(=O)[C@@H]1O[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C[C@H]1C	ZINC000600999392	553337783	/nfs/dbraw/zinc/33/77/83/553337783.db2.gz	AEBSGPLDVPHATF-ZTFGCOKTSA-N	1	0	373.453	1.415	20	30		FDEDRO
COCC[N@H+](C)CCN1C[C@H](Nc2ncc(C#N)c3ccsc32)CC1=O	ZINC000601178628	553356959	/nfs/dbraw/zinc/35/69/59/553356959.db2.gz	VSPVJDXMSSEUDI-CQSZACIVSA-N	1	0	373.482	1.759	20	30		FDEDRO
N#CCc1ccccc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1	ZINC000601343584	553380352	/nfs/dbraw/zinc/38/03/52/553380352.db2.gz	QQYYCZCTQCBBEL-GVDBMIGSSA-N	1	0	363.483	1.802	20	30		FDEDRO
N#CCc1ccccc1S(=O)(=O)NCCCC[N@H+]1CCC[C@@H]1CO	ZINC000601353966	553383513	/nfs/dbraw/zinc/38/35/13/553383513.db2.gz	JIHMNRASMLORFW-MRXNPFEDSA-N	1	0	351.472	1.268	20	30		FDEDRO
C[C@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)c1cccc(C#N)c1	ZINC000601360316	553385050	/nfs/dbraw/zinc/38/50/50/553385050.db2.gz	ZUBOZMZMAJWAFG-HNNXBMFYSA-N	1	0	350.488	1.176	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2ccccc2CC#N)C[C@@H]1[NH+]1CCCC1	ZINC000601397708	553393998	/nfs/dbraw/zinc/39/39/98/553393998.db2.gz	RGRBIICIDRMGHZ-JKSUJKDBSA-N	1	0	365.524	1.953	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C	ZINC000601420678	553401024	/nfs/dbraw/zinc/40/10/24/553401024.db2.gz	FFZNMDJHDCTTJP-BXUZGUMPSA-N	1	0	351.428	1.058	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C	ZINC000601420681	553401038	/nfs/dbraw/zinc/40/10/38/553401038.db2.gz	FFZNMDJHDCTTJP-SMDDNHRTSA-N	1	0	351.428	1.058	20	30		FDEDRO
N#Cc1sccc1S(=O)(=O)N1CCC([N@@H+]2CCCOCC2)CC1	ZINC000601440798	553406619	/nfs/dbraw/zinc/40/66/19/553406619.db2.gz	YJDWKDJANJAFKW-UHFFFAOYSA-N	1	0	355.485	1.495	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000601482374	553417063	/nfs/dbraw/zinc/41/70/63/553417063.db2.gz	UDZDZXLWICIAGS-AEFFLSMTSA-N	1	0	364.515	1.824	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C[C@H]1C[NH3+]	ZINC000601574444	553438099	/nfs/dbraw/zinc/43/80/99/553438099.db2.gz	BKEFKYIDMKWNOA-MWLCHTKSSA-N	1	0	365.231	1.312	20	30		FDEDRO
Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NCCn3cnc(C#N)n3)C2)cc1	ZINC000601601939	553443513	/nfs/dbraw/zinc/44/35/13/553443513.db2.gz	ICNFTHDFHOSIET-INIZCTEOSA-N	1	0	353.430	1.032	20	30		FDEDRO
C=C(C)C[C@H](NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)C(=O)OC	ZINC000601780917	553474537	/nfs/dbraw/zinc/47/45/37/553474537.db2.gz	FILXMBYENFXYLN-SFHVURJKSA-N	1	0	359.470	1.672	20	30		FDEDRO
N#Cc1cnc2ncn(C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)n2c1=O	ZINC000601923942	553494019	/nfs/dbraw/zinc/49/40/19/553494019.db2.gz	UPXANCLCHWKKBO-KRWDZBQOSA-N	1	0	364.409	1.054	20	30		FDEDRO
N#Cc1ncn(CC[NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)n1	ZINC000601963180	553496727	/nfs/dbraw/zinc/49/67/27/553496727.db2.gz	CSGPHLTVABLCAH-LBPRGKRZSA-N	1	0	356.213	1.486	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc(C#N)c2)CC[N@@H+](C2CCC2)C1	ZINC000602047925	553507809	/nfs/dbraw/zinc/50/78/09/553507809.db2.gz	IVOIJZMVMBZESB-CYBMUJFWSA-N	1	0	358.417	1.969	20	30		FDEDRO
N#Cc1cc(F)cc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)c1	ZINC000602060647	553510991	/nfs/dbraw/zinc/51/09/91/553510991.db2.gz	DXGRUGRWYWRQKR-KRWDZBQOSA-N	1	0	374.416	1.349	20	30		FDEDRO
CN(C(=O)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)[C@@H]1CCC[C@@H]1C#N	ZINC000602061541	553511138	/nfs/dbraw/zinc/51/11/38/553511138.db2.gz	GHVUXUJJULUAPH-CZUORRHYSA-N	1	0	358.446	1.239	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)c1cccc(C#N)c1	ZINC000602245040	553547241	/nfs/dbraw/zinc/54/72/41/553547241.db2.gz	ZZUJLECCTGQIIN-KBXCAEBGSA-N	1	0	354.454	1.869	20	30		FDEDRO
Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N3CCN(CCC#N)CC3)C2)cc1	ZINC000602404770	553577556	/nfs/dbraw/zinc/57/75/56/553577556.db2.gz	ILGHHINQIBOUED-IBGZPJMESA-N	1	0	355.486	1.810	20	30		FDEDRO
N#CCc1cccc2c1CCN(C(=O)c1cn(C3CC[NH2+]CC3)nn1)C2	ZINC000602573296	553607084	/nfs/dbraw/zinc/60/70/84/553607084.db2.gz	BMRFRNDPWHOJRP-UHFFFAOYSA-N	1	0	350.426	1.467	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1	ZINC000602575243	553607345	/nfs/dbraw/zinc/60/73/45/553607345.db2.gz	PPQANTNUMZCCIR-KXBFYZLASA-N	1	0	357.454	1.943	20	30		FDEDRO
CCOC(=O)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[nH]1	ZINC000602633553	553615701	/nfs/dbraw/zinc/61/57/01/553615701.db2.gz	YLMMYFUGMFWTKN-QGZVFWFLSA-N	1	0	366.421	1.954	20	30		FDEDRO
C[C@@H]1CN(C/C=C/C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C[C@H](C)N1CC#N	ZINC000602847403	553650207	/nfs/dbraw/zinc/65/02/07/553650207.db2.gz	BBDAPSDMMULINR-MCBGNAOOSA-N	1	0	358.534	1.379	20	30		FDEDRO
COC(=O)c1ccc(OC[C@H](O)C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)cc1	ZINC000602857797	553652379	/nfs/dbraw/zinc/65/23/79/553652379.db2.gz	VCKNHQVVNGODEK-YQQAZPJKSA-N	1	0	361.442	1.131	20	30		FDEDRO
CCN1CCN(C(=O)[C@H](C)[NH+]2CCC(c3ccc(C#N)cn3)CC2)CC1	ZINC000602913040	553667539	/nfs/dbraw/zinc/66/75/39/553667539.db2.gz	QQRUJFKDHIIEGC-INIZCTEOSA-N	1	0	355.486	1.685	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@@](COC)(C(=O)OC(C)(C)C)C1	ZINC000602960822	553681125	/nfs/dbraw/zinc/68/11/25/553681125.db2.gz	IUSNBFRNBHTJNL-HNAYVOBHSA-N	1	0	367.490	1.675	20	30		FDEDRO
C[NH+](C)CCc1cn(CC(=O)N(CCC#N)c2cccc(Cl)c2)nn1	ZINC000603175334	553722498	/nfs/dbraw/zinc/72/24/98/553722498.db2.gz	GQGZPHSAANURAJ-UHFFFAOYSA-N	1	0	360.849	1.982	20	30		FDEDRO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)n1cc(CN2CC[NH2+]CC2)nn1	ZINC000603194221	553729146	/nfs/dbraw/zinc/72/91/46/553729146.db2.gz	WKOCYHASZGREAO-WUJZJPHMSA-N	1	0	373.505	1.175	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](n3cc(C4CC[NH2+]CC4)nn3)C2=O)cc1	ZINC000603233477	553737517	/nfs/dbraw/zinc/73/75/17/553737517.db2.gz	ACLPNPSPPDWKNN-GOSISDBHSA-N	1	0	350.426	1.985	20	30		FDEDRO
CC(C)[C@H](CNc1ccc(C#N)cc1CS(N)(=O)=O)[NH+]1CCCC1	ZINC000603272673	553749369	/nfs/dbraw/zinc/74/93/69/553749369.db2.gz	TVUQYOLQVLBRFD-KRWDZBQOSA-N	1	0	350.488	1.879	20	30		FDEDRO
CC[NH+](CC)CC1CCN(c2ccc(C#N)cc2CS(N)(=O)=O)CC1	ZINC000603278200	553751541	/nfs/dbraw/zinc/75/15/41/553751541.db2.gz	XNVPPKOLMIEIBR-UHFFFAOYSA-N	1	0	364.515	1.905	20	30		FDEDRO
C[C@@H](CNc1ccc(C#N)cc1CS(N)(=O)=O)[N@@H+]1CCC[C@H](C)C1	ZINC000603284048	553754017	/nfs/dbraw/zinc/75/40/17/553754017.db2.gz	NZSTVQRVGYZTRT-KBPBESRZSA-N	1	0	350.488	1.879	20	30		FDEDRO
COCCOCc1cc(C#N)ccc1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000603287966	553755211	/nfs/dbraw/zinc/75/52/11/553755211.db2.gz	FPSVPDDRSGTDBB-VQTJNVASSA-N	1	0	359.470	1.757	20	30		FDEDRO
COCCOCc1cc(C#N)ccc1N1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000603305906	553760268	/nfs/dbraw/zinc/76/02/68/553760268.db2.gz	RNZCRKZFZBTTSA-SFHVURJKSA-N	1	0	359.470	1.880	20	30		FDEDRO
C[C@H]1C[N@H+](CC(C)(C)O)CCN1c1cc(C#N)c(Br)cn1	ZINC000603352360	553769650	/nfs/dbraw/zinc/76/96/50/553769650.db2.gz	FAHZSANAEIJWGC-NSHDSACASA-N	1	0	353.264	1.997	20	30		FDEDRO
C[N@@H+]1CCCN(CCCNS(=O)(=O)Cc2ccc(C#N)cc2)CC1	ZINC000603398560	553779835	/nfs/dbraw/zinc/77/98/35/553779835.db2.gz	AXOINZFXYJVBEA-UHFFFAOYSA-N	1	0	350.488	1.005	20	30		FDEDRO
C=CCSCCNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000603427230	553785626	/nfs/dbraw/zinc/78/56/26/553785626.db2.gz	FPWOXKZZTGYUGF-INIZCTEOSA-N	1	0	356.536	1.001	20	30		FDEDRO
C=CCc1cc(C[NH2+]CCCN2CCCS2(=O)=O)cc(OC)c1O	ZINC000603513490	553797374	/nfs/dbraw/zinc/79/73/74/553797374.db2.gz	TVUSWAAPPCCZBW-UHFFFAOYSA-N	1	0	354.472	1.645	20	30		FDEDRO
C[NH+](C)CCOc1cccc(NC(=O)C(=O)NCc2ccc(C#N)cc2)c1	ZINC000603714773	553811334	/nfs/dbraw/zinc/81/13/34/553811334.db2.gz	GOBRRJBWWRYDLE-UHFFFAOYSA-N	1	0	366.421	1.754	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1	ZINC000603848381	553821082	/nfs/dbraw/zinc/82/10/82/553821082.db2.gz	PGJDQCKAHKJVIK-QUCCMNQESA-N	1	0	359.470	1.485	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CCCN1C(=O)c2ccccc2C1=O	ZINC000604441406	553878249	/nfs/dbraw/zinc/87/82/49/553878249.db2.gz	IKVINHMNDPSKLA-UHFFFAOYSA-N	1	0	370.453	1.757	20	30		FDEDRO
N#Cc1cccc(CNC(=O)CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1	ZINC000604501230	553882322	/nfs/dbraw/zinc/88/23/22/553882322.db2.gz	CHWFNGIZMADFLO-IBGZPJMESA-N	1	0	356.470	1.361	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)nc(C)n3C)CC1	ZINC000608520260	554280854	/nfs/dbraw/zinc/28/08/54/554280854.db2.gz	LTGLUGNFYFPWOF-UHFFFAOYSA-N	1	0	369.469	1.977	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1	ZINC000608926368	554329759	/nfs/dbraw/zinc/32/97/59/554329759.db2.gz	YGRQBVHPBGNKMB-UHFFFAOYSA-N	1	0	368.441	1.167	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H](NC(=O)CCc2c(C)nn(CCC#N)c2C)C1	ZINC000609269167	554353822	/nfs/dbraw/zinc/35/38/22/554353822.db2.gz	MJEDLSRLUCDVLC-QGZVFWFLSA-N	1	0	361.490	1.573	20	30		FDEDRO
N#CCN1CCC(NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1	ZINC000609337039	554367823	/nfs/dbraw/zinc/36/78/23/554367823.db2.gz	QGEQAOZCQPNVBH-IBGZPJMESA-N	1	0	355.486	1.938	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CC[N@H+](CC2CC2)C1	ZINC000609383654	554373461	/nfs/dbraw/zinc/37/34/61/554373461.db2.gz	YTTNQNJLKLIFBX-KRWDZBQOSA-N	1	0	366.469	1.751	20	30		FDEDRO
CCN(CCC#N)C(=O)CN1CCN(CC[N@H+](C)Cc2ccccc2)CC1	ZINC000609417785	554375860	/nfs/dbraw/zinc/37/58/60/554375860.db2.gz	YBEYIAVMZIKWPO-UHFFFAOYSA-N	1	0	371.529	1.498	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H]1CCCN1c1cccnn1)C(=O)NC1(C#N)CCCCC1	ZINC000609574719	554395839	/nfs/dbraw/zinc/39/58/39/554395839.db2.gz	FBEBUFJKCQBGMA-HOTGVXAUSA-N	1	0	356.474	1.766	20	30		FDEDRO
C[C@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C1CC[NH+](C)CC1	ZINC000609583462	554397608	/nfs/dbraw/zinc/39/76/08/554397608.db2.gz	KAFJTODGBAYFPZ-ZDUSSCGKSA-N	1	0	352.442	1.786	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NC(=O)NC2CCN(CC#N)CC2)[C@@H](C)C1	ZINC000609686064	554411764	/nfs/dbraw/zinc/41/17/64/554411764.db2.gz	GZQNJAVOKAHRPT-WMZOPIPTSA-N	1	0	365.522	1.411	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1	ZINC000609926684	554438400	/nfs/dbraw/zinc/43/84/00/554438400.db2.gz	RWUCDIUVMAKKCI-FVQBIDKESA-N	1	0	358.360	1.880	20	30		FDEDRO
CN(CCCC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000610111932	554462624	/nfs/dbraw/zinc/46/26/24/554462624.db2.gz	LLSONOUYLFLCSJ-UHFFFAOYSA-N	1	0	366.487	1.292	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1cccc(C#N)c1	ZINC000610355186	554495193	/nfs/dbraw/zinc/49/51/93/554495193.db2.gz	KBNAABSKTSPPKC-INIZCTEOSA-N	1	0	369.469	1.569	20	30		FDEDRO
CCN1CCO[C@H](C(=O)N[C@@H](C#N)c2ccccc2Br)C1	ZINC000610428943	554504545	/nfs/dbraw/zinc/50/45/45/554504545.db2.gz	ABKCDAHKUXJBFL-KBPBESRZSA-N	1	0	352.232	1.851	20	30		FDEDRO
COC(=O)C[C@@H]1CSCC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000610781379	554561664	/nfs/dbraw/zinc/56/16/64/554561664.db2.gz	RCMOWZKARJDTOL-HZPDHXFCSA-N	1	0	364.467	1.473	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(C[C@@H](O)COc3ccc(CC#N)cc3)CC2)C1	ZINC000610988666	554591202	/nfs/dbraw/zinc/59/12/02/554591202.db2.gz	JSYIIZKITCDZOP-WOJBJXKFSA-N	1	0	372.513	1.204	20	30		FDEDRO
Cc1nnc2n1C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)CC2	ZINC000611014413	554594030	/nfs/dbraw/zinc/59/40/30/554594030.db2.gz	NJWJSMIAMBVINL-SFHVURJKSA-N	1	0	366.469	1.611	20	30		FDEDRO
COC(=O)c1cccc(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1C#N	ZINC000611127328	554608086	/nfs/dbraw/zinc/60/80/86/554608086.db2.gz	AYIGARDQHZXYIQ-KRWDZBQOSA-N	1	0	356.470	1.557	20	30		FDEDRO
C[C@H]1CN(C(=O)NCc2ccc(C#N)cc2F)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000611209877	554615306	/nfs/dbraw/zinc/61/53/06/554615306.db2.gz	LJSBJWIARUPPEY-HNAYVOBHSA-N	1	0	373.476	1.865	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)c2cccc(C#N)c2)CC1	ZINC000611389466	554630411	/nfs/dbraw/zinc/63/04/11/554630411.db2.gz	WURMAOZQZVLSCL-LPHOPBHVSA-N	1	0	353.470	1.901	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1cccc(C#N)c1	ZINC000611388999	554630476	/nfs/dbraw/zinc/63/04/76/554630476.db2.gz	VQBHILDBMPZIGT-LBPRGKRZSA-N	1	0	358.423	1.495	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)Nc1cc(-n2cnnn2)ccc1F)c1cccc(C#N)c1	ZINC000611388521	554630666	/nfs/dbraw/zinc/63/06/66/554630666.db2.gz	PKZFNHUJVHEKTR-LBPRGKRZSA-N	1	0	365.372	1.962	20	30		FDEDRO
CNC(=O)[C@H](NC(=O)C[NH2+][C@H](C)c1cccc(C#N)c1)c1ccccc1	ZINC000611388646	554630693	/nfs/dbraw/zinc/63/06/93/554630693.db2.gz	QWKHAIFHHOUMFC-AUUYWEPGSA-N	1	0	350.422	1.812	20	30		FDEDRO
COC[C@H]1CCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000611430096	554632754	/nfs/dbraw/zinc/63/27/54/554632754.db2.gz	ZJAYUXQVMUYOLJ-MOPGFXCFSA-N	1	0	374.460	1.645	20	30		FDEDRO
CN(CCC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)c1cc[nH+]cc1	ZINC000611528033	554642138	/nfs/dbraw/zinc/64/21/38/554642138.db2.gz	NXPLQEKNLFBEHC-UHFFFAOYSA-N	1	0	364.453	1.960	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000611552657	554645533	/nfs/dbraw/zinc/64/55/33/554645533.db2.gz	HJSQNMQGYUPZRN-GOSISDBHSA-N	1	0	357.433	1.770	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1	ZINC000611888286	554697259	/nfs/dbraw/zinc/69/72/59/554697259.db2.gz	ZSFZOTBWKOGJFP-RYRKJORJSA-N	1	0	363.502	1.607	20	30		FDEDRO
N#C[C@]1(F)CCN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000615535652	555208613	/nfs/dbraw/zinc/20/86/13/555208613.db2.gz	VEJQIUGQIHAOHN-LJQANCHMSA-N	1	0	359.449	1.451	20	30		FDEDRO
C[NH+]1CCN(C[C@@H](NC(=O)N2CC[C@@](F)(C#N)C2)c2ccccc2)CC1	ZINC000615542862	555210110	/nfs/dbraw/zinc/21/01/10/555210110.db2.gz	DFVSYOOQCGPKED-IEBWSBKVSA-N	1	0	359.449	1.622	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC[C@@H]21	ZINC000616425592	555303350	/nfs/dbraw/zinc/30/33/50/555303350.db2.gz	XLZLCHDVDNPUBZ-YOEHRIQHSA-N	1	0	351.447	1.943	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1	ZINC000617695330	555483613	/nfs/dbraw/zinc/48/36/13/555483613.db2.gz	PMFAQSUGEREJPL-OALUTQOASA-N	1	0	359.470	1.340	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCC23CCOCC3)CC1	ZINC000618318143	555614615	/nfs/dbraw/zinc/61/46/15/555614615.db2.gz	DSSVGCBHTJVPCG-MRXNPFEDSA-N	1	0	374.510	1.712	20	30		FDEDRO
C[NH+](C)CCN1CCC(NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC1	ZINC000618798012	555678951	/nfs/dbraw/zinc/67/89/51/555678951.db2.gz	JQJQRVWWEJSGSY-LJQANCHMSA-N	1	0	355.486	1.871	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1	ZINC000618881737	555690310	/nfs/dbraw/zinc/69/03/10/555690310.db2.gz	RDJQXEGBYNBYNB-KRWDZBQOSA-N	1	0	372.388	1.881	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cccc(CC#N)c1	ZINC000619492639	555788013	/nfs/dbraw/zinc/78/80/13/555788013.db2.gz	ADBFKFQLTOKGRT-KBAYOESNSA-N	1	0	363.483	1.625	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)n1cnc(C#N)n1	ZINC000619600100	555806628	/nfs/dbraw/zinc/80/66/28/555806628.db2.gz	GTULFAQRLRJGMR-BHYGNILZSA-N	1	0	350.426	1.301	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[N@@H+](CCC)C2)c1	ZINC000619894382	555854166	/nfs/dbraw/zinc/85/41/66/555854166.db2.gz	XDICIIVFQLGDRC-HNNXBMFYSA-N	1	0	351.472	1.365	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000625561695	556854326	/nfs/dbraw/zinc/85/43/26/556854326.db2.gz	DFNXYKGXISVSHP-SJORKVTESA-N	1	0	364.534	1.189	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1	ZINC000627120307	557280570	/nfs/dbraw/zinc/28/05/70/557280570.db2.gz	ATALEQFDLNVQJM-JKSUJKDBSA-N	1	0	350.507	1.879	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)c1	ZINC000631978403	558077697	/nfs/dbraw/zinc/07/76/97/558077697.db2.gz	ANVYUUZPDGBYOB-HNNXBMFYSA-N	1	0	365.499	1.659	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC(OCC(F)F)C1	ZINC000634340606	558453075	/nfs/dbraw/zinc/45/30/75/558453075.db2.gz	UCHWQDSDUAODKK-OCCSQVGLSA-N	1	0	369.416	1.470	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1	ZINC000636935092	568209673	/nfs/dbraw/zinc/20/96/73/568209673.db2.gz	AKVLGIFNJPZIOP-NJAFHUGGSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(CC)([NH+](C)C)CC1	ZINC000636936304	568213057	/nfs/dbraw/zinc/21/30/57/568213057.db2.gz	MELKBNJCTAYZDB-CVEARBPZSA-N	1	0	351.491	1.417	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CCc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000735375829	598930311	/nfs/dbraw/zinc/93/03/11/598930311.db2.gz	SBMCOGBUOFYIBX-UHFFFAOYSA-N	1	0	352.442	1.403	20	30		FDEDRO
CN(CCO)c1ccc(C=[NH+]NCc2ccc(-c3nn[nH]n3)cc2)cc1	ZINC000821602574	607253204	/nfs/dbraw/zinc/25/32/04/607253204.db2.gz	IZXNTROELVRHLL-UHFFFAOYSA-N	1	0	351.414	1.419	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)ccc1F	ZINC000272343088	674433636	/nfs/dbraw/zinc/43/36/36/674433636.db2.gz	XFCAKOQKIUGBRH-WCQYABFASA-N	1	0	355.435	1.099	20	30		FDEDRO
C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCC[N@@H+](C)C1CC1	ZINC000735418127	598783493	/nfs/dbraw/zinc/78/34/93/598783493.db2.gz	BGFDEDFRGQMXTK-UHFFFAOYSA-N	1	0	355.446	1.659	20	30		FDEDRO
C#CCOc1ccccc1C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12	ZINC000735388339	599490157	/nfs/dbraw/zinc/49/01/57/599490157.db2.gz	ZLQSQJPVGLXFMP-UHFFFAOYSA-N	1	0	359.393	1.816	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=NOCc2ccc(-c3nn[nH]n3)cc2F)cc1	ZINC000821587481	606178453	/nfs/dbraw/zinc/17/84/53/606178453.db2.gz	ZMCPCOOBNDMUDR-UHFFFAOYSA-N	1	0	369.404	1.905	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1cccc(C#N)c1	ZINC000824565128	608485784	/nfs/dbraw/zinc/48/57/84/608485784.db2.gz	ZQBVVSXDJLGWEA-ZDUSSCGKSA-N	1	0	361.409	1.705	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1cccc(-c2nn[nH]n2)c1	ZINC000824563110	608486963	/nfs/dbraw/zinc/48/69/63/608486963.db2.gz	LNUHUBNPPJIQMY-ZDUSSCGKSA-N	1	0	361.409	1.705	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCCCCCS(C)(=O)=O)cc1OC	ZINC000274786074	674596382	/nfs/dbraw/zinc/59/63/82/674596382.db2.gz	OTLVTESMMCJBLH-UHFFFAOYSA-N	1	0	357.476	1.323	20	30		FDEDRO
Cc1cc(S(=O)(=O)NCCCC[N@@H+]2CCC[C@H]2CO)ccc1C#N	ZINC000278133183	675098019	/nfs/dbraw/zinc/09/80/19/675098019.db2.gz	ZPFJWXFLVOAGND-INIZCTEOSA-N	1	0	351.472	1.382	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)NCC[NH+]2CCCCCC2)cc1	ZINC000046620346	671011884	/nfs/dbraw/zinc/01/18/84/671011884.db2.gz	KQSSKSNQPLWZNB-UHFFFAOYSA-N	1	0	363.483	1.204	20	30		FDEDRO
NC(=[NH+]OC[C@H]1CCS(=O)(=O)C1)c1ccc(N2CCCCC2)cc1	ZINC000278717610	675184776	/nfs/dbraw/zinc/18/47/76/675184776.db2.gz	SLBJFKJPSQPJLG-CQSZACIVSA-N	1	0	351.472	1.749	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N(CC[NH+](C)C)CC(C)C)c1	ZINC000058884526	671283008	/nfs/dbraw/zinc/28/30/08/671283008.db2.gz	DAWJNZRAJCBFDM-UHFFFAOYSA-N	1	0	365.499	1.258	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1	ZINC000286756974	675904000	/nfs/dbraw/zinc/90/40/00/675904000.db2.gz	PLDBNLYBMSHXGT-INIZCTEOSA-N	1	0	372.466	1.125	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1	ZINC000084599898	671478703	/nfs/dbraw/zinc/47/87/03/671478703.db2.gz	STZNHORAACDMNA-CQSZACIVSA-N	1	0	350.484	1.960	20	30		FDEDRO
CC(C)[NH+]1CCN(C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)CC1	ZINC000287078949	675912257	/nfs/dbraw/zinc/91/22/57/675912257.db2.gz	IIVUFOSKEFADJQ-AWEZNQCLSA-N	1	0	364.471	1.930	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CSC[C@@H]2C(=O)N[C@H](C)C(C)C)CC1	ZINC000113074803	671645062	/nfs/dbraw/zinc/64/50/62/671645062.db2.gz	PVSQPMYDQUOZDR-GDBMZVCRSA-N	1	0	351.516	1.394	20	30		FDEDRO
CC(C)[C@H](CNS(=O)(=O)c1cccc(F)c1C#N)N1CC[NH+](C)CC1	ZINC000122252969	671714691	/nfs/dbraw/zinc/71/46/91/671714691.db2.gz	QCPDQDWXNHDTIJ-INIZCTEOSA-N	1	0	368.478	1.248	20	30		FDEDRO
C=C(Br)CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000133925887	671824302	/nfs/dbraw/zinc/82/43/02/671824302.db2.gz	BHZNCVYPFKUXKX-LLVKDONJSA-N	1	0	359.268	1.776	20	30		FDEDRO
CN(CCNC(=[NH2+])NCCc1ccccc1)S(=O)(=O)c1cccs1	ZINC000151407610	671864627	/nfs/dbraw/zinc/86/46/27/671864627.db2.gz	UEFWORWBAOCRPK-UHFFFAOYSA-N	1	0	366.512	1.516	20	30		FDEDRO
CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000288041339	675958308	/nfs/dbraw/zinc/95/83/08/675958308.db2.gz	LTZFBJUCBCKGTJ-UHFFFAOYSA-N	1	0	353.220	1.279	20	30		FDEDRO
CC[NH+]=C(NCC1(C(=O)N(C)C)CCCC1)N1CC[C@]2(CCOC2)C1	ZINC000158151675	671977746	/nfs/dbraw/zinc/97/77/46/671977746.db2.gz	SIRYMLJXQVWDPK-SFHVURJKSA-N	1	0	350.507	1.713	20	30		FDEDRO
C[NH+]=C(NCc1ccc(Cl)s1)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000179125283	672155162	/nfs/dbraw/zinc/15/51/62/672155162.db2.gz	DENBPHLLFQWCHU-UHFFFAOYSA-N	1	0	366.878	1.559	20	30		FDEDRO
CN(C(=[NH2+])NCc1ccccc1S(=O)(=O)N1CCCCC1)C1CC1	ZINC000181461487	672196729	/nfs/dbraw/zinc/19/67/29/672196729.db2.gz	YCBRIPOHHPRIQV-UHFFFAOYSA-N	1	0	350.488	1.770	20	30		FDEDRO
CN(C)C(=O)C[NH+]=C(NCCc1cccs1)N1CC[C@@]2(CCOC2)C1	ZINC000185536282	672260918	/nfs/dbraw/zinc/26/09/18/672260918.db2.gz	GBTYOUKOGOGREF-GOSISDBHSA-N	1	0	364.515	1.437	20	30		FDEDRO
C[C@H]1CCCN(C(=[NH2+])NCc2ccc(N3CCCS3(=O)=O)c(F)c2)C1	ZINC000187046271	672279011	/nfs/dbraw/zinc/27/90/11/672279011.db2.gz	XFAKIPKHHWDBSM-ZDUSSCGKSA-N	1	0	368.478	1.912	20	30		FDEDRO
CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)CC1(C#N)CC1	ZINC000188955073	672301951	/nfs/dbraw/zinc/30/19/51/672301951.db2.gz	CMNYGAWPNOPAHB-GOSISDBHSA-N	1	0	363.483	1.189	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(C)(C)C[NH3+])cc1	ZINC000237089092	672420362	/nfs/dbraw/zinc/42/03/62/672420362.db2.gz	VEBYNCKRPUIZHA-XMHGGMMESA-N	1	0	352.460	1.423	20	30		FDEDRO
C[C@H]([NH3+])C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1	ZINC000254952218	672606087	/nfs/dbraw/zinc/60/60/87/672606087.db2.gz	DSDLIXCXDWWQQS-OGAOFSLMSA-N	1	0	352.460	1.565	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)/C=C\c2ccc(NS(C)(=O)=O)cc2)CC1	ZINC000255012991	672607475	/nfs/dbraw/zinc/60/74/75/672607475.db2.gz	CSMUPDZIAZDURI-TWGQIWQCSA-N	1	0	363.483	1.838	20	30		FDEDRO
CC[C@@H]1CCC[C@H](NC(NCC2CCN(S(C)(=O)=O)CC2)=[NH+]C)C1	ZINC000261626101	672638686	/nfs/dbraw/zinc/63/86/86/672638686.db2.gz	IPYNUCDLXVYKBY-ZBFHGGJFSA-N	1	0	358.552	1.792	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCN(S(C)(=O)=O)C1)N[C@@H](C)Cc1ccc(C)s1	ZINC000261664310	672646404	/nfs/dbraw/zinc/64/64/04/672646404.db2.gz	BGPUJFMHCMTUCS-GXTWGEPZSA-N	1	0	372.560	1.434	20	30		FDEDRO
CC(C)S(=O)(=O)CCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1	ZINC000288715263	676044320	/nfs/dbraw/zinc/04/43/20/676044320.db2.gz	LKHULVARNDQVFT-UHFFFAOYSA-N	1	0	351.394	1.933	20	30		FDEDRO
CCS(=O)(=O)NCCNC(=[NH+]C)N1CC[C@](C)(c2ccccc2)C1	ZINC000261768503	672668555	/nfs/dbraw/zinc/66/85/55/672668555.db2.gz	NTPHQLYYUHNBIH-KRWDZBQOSA-N	1	0	352.504	1.165	20	30		FDEDRO
CC[NH+]=C(NCc1c[nH]nc1C)N1CCN(c2nc(CC)ns2)CC1	ZINC000261810873	672676165	/nfs/dbraw/zinc/67/61/65/672676165.db2.gz	SLGQCAYHLRUXPD-UHFFFAOYSA-N	1	0	362.507	1.420	20	30		FDEDRO
C[NH+]=C(NCCC(=O)N(C)C)N(C)Cc1cc(Br)cn1C	ZINC000261826883	672679342	/nfs/dbraw/zinc/67/93/42/672679342.db2.gz	VBPFDLQKXDBTLN-UHFFFAOYSA-N	1	0	358.284	1.273	20	30		FDEDRO
[NH2+]=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)NC[C@H]1CCCO1	ZINC000261895933	672690302	/nfs/dbraw/zinc/69/03/02/672690302.db2.gz	UWACMUGERZUQHJ-OAHLLOKOSA-N	1	0	366.487	1.054	20	30		FDEDRO
CC[NH+]=C(NCCN(C)C1CCCC1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261951530	672700645	/nfs/dbraw/zinc/70/06/45/672700645.db2.gz	HNKLEXONNZDCHI-UHFFFAOYSA-N	1	0	358.552	1.335	20	30		FDEDRO
C[NH+]=C(NCCc1csc(C(C)C)n1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261961965	672702910	/nfs/dbraw/zinc/70/29/10/672702910.db2.gz	KILIETLBIMWZHX-UHFFFAOYSA-N	1	0	372.560	1.893	20	30		FDEDRO
C[NH+]=C(NCCNC(=O)CC1CCCCC1)N1CC[C@]2(CCOC2)C1	ZINC000261963005	672702934	/nfs/dbraw/zinc/70/29/34/672702934.db2.gz	KSQFWHTYZKBIRH-IBGZPJMESA-N	1	0	350.507	1.761	20	30		FDEDRO
CCO[C@@H]1C[C@@H](NC(=[NH+]C)N2CCS(=O)(=O)C(C)(C)C2)C12CCC2	ZINC000261978356	672705816	/nfs/dbraw/zinc/70/58/16/672705816.db2.gz	OFQKAHOLFNKHKM-ZIAGYGMSSA-N	1	0	357.520	1.419	20	30		FDEDRO
CC[NH+]=C(NC[C@@H](O)c1ccc(C)cc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261982571	672706650	/nfs/dbraw/zinc/70/66/50/672706650.db2.gz	PFDMRHYMQTUYRT-MRXNPFEDSA-N	1	0	367.515	1.503	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)C(C)(C)C)N1CC[C@H](C)[C@H](n2ccnc2)C1	ZINC000261996315	672708351	/nfs/dbraw/zinc/70/83/51/672708351.db2.gz	SMMVPADNRZYDDY-LSDHHAIUSA-N	1	0	369.535	1.555	20	30		FDEDRO
[NH2+]=C(NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)N1CCSCC1	ZINC000262024868	672714073	/nfs/dbraw/zinc/71/40/73/672714073.db2.gz	ZCFIOEMGBUXQAQ-MRXNPFEDSA-N	1	0	362.499	1.459	20	30		FDEDRO
CC(C)S(=O)(=O)CCNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1	ZINC000262249419	672754425	/nfs/dbraw/zinc/75/44/25/672754425.db2.gz	CZOGEKSAORFNOC-UHFFFAOYSA-N	1	0	356.467	1.086	20	30		FDEDRO
CC[C@H](C)[NH+]=C(NCC(=O)N(C)C)N1CCC[C@@H](C2(C)OCCO2)C1	ZINC000262259212	672756876	/nfs/dbraw/zinc/75/68/76/672756876.db2.gz	DJTZITCXNSAMLT-LSDHHAIUSA-N	1	0	354.495	1.294	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@H]1CCN(c2cccc(Cl)c2)C1)=[NH+]C1CC1	ZINC000262300556	672764965	/nfs/dbraw/zinc/76/49/65/672764965.db2.gz	NREURFZRQRQGTN-HNNXBMFYSA-N	1	0	363.893	1.705	20	30		FDEDRO
C[C@H]1CN(C(=[NH2+])NCc2cc3c(c(Br)c2)OCO3)CCO1	ZINC000262305291	672765945	/nfs/dbraw/zinc/76/59/45/672765945.db2.gz	AHAPEAPTLMRZTG-VIFPVBQESA-N	1	0	356.220	1.713	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCO[C@@H](C2CC2)C1	ZINC000262331978	672771690	/nfs/dbraw/zinc/77/16/90/672771690.db2.gz	BDNYSTUSGBOJIO-NUEKZKHPSA-N	1	0	357.520	1.322	20	30		FDEDRO
C[NH+]=C(NC[C@@]1(O)CCSC1)N[C@H]1CCN(c2cccc(OC)c2)C1	ZINC000262352866	672775129	/nfs/dbraw/zinc/77/51/29/672775129.db2.gz	FKXYMSHWMUHTCM-KSSFIOAISA-N	1	0	364.515	1.307	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(N[C@H]2CCOC3(CCCC3)C2)=[NH+]C2CC2)C1	ZINC000262353886	672775585	/nfs/dbraw/zinc/77/55/85/672775585.db2.gz	FMYNWHKYRGXVNU-ZBFHGGJFSA-N	1	0	369.531	1.611	20	30		FDEDRO
COCCNC(=[NH2+])NCc1ccc(I)cc1Cl	ZINC000262373668	672778829	/nfs/dbraw/zinc/77/88/29/672778829.db2.gz	MKYBNGAIJGNHBI-UHFFFAOYSA-N	1	0	367.618	1.995	20	30		FDEDRO
CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@]2(CCCOC2)C1	ZINC000262381157	672779876	/nfs/dbraw/zinc/77/98/76/672779876.db2.gz	KLICJTSYQHZKJB-FUHWJXTLSA-N	1	0	371.547	1.669	20	30		FDEDRO
CC(C)C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCOC2(CCC2)C1	ZINC000262417906	672786272	/nfs/dbraw/zinc/78/62/72/672786272.db2.gz	QMNRSGIUHBIEMA-JKSUJKDBSA-N	1	0	371.547	1.714	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)cc1Cl	ZINC000262429911	672788159	/nfs/dbraw/zinc/78/81/59/672788159.db2.gz	DQYLDSDGMXGOOB-UHFFFAOYSA-N	1	0	360.849	1.776	20	30		FDEDRO
C=C(C)CNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CCSC(C)(C)C1	ZINC000262443542	672790448	/nfs/dbraw/zinc/79/04/48/672790448.db2.gz	UYXJBPLIYFEORN-AWEZNQCLSA-N	1	0	359.561	1.770	20	30		FDEDRO
C[NH+]=C(NCc1ccnn1C)NCc1nc(-c2ccc(Cl)cc2)no1	ZINC000262451812	672791849	/nfs/dbraw/zinc/79/18/49/672791849.db2.gz	DVVYARCTGLNPSY-UHFFFAOYSA-N	1	0	359.821	1.989	20	30		FDEDRO
COC[C@@H]1CCN(C(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CCCCC2)C1	ZINC000262454583	672792218	/nfs/dbraw/zinc/79/22/18/672792218.db2.gz	WNONQBHNRYFQRZ-HZPDHXFCSA-N	1	0	371.547	1.668	20	30		FDEDRO
CC1CCN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C[C@H]2CCCCO2)CC1	ZINC000262453968	672792228	/nfs/dbraw/zinc/79/22/28/672792228.db2.gz	WMVQRXSGFZHPSP-DLBZAZTESA-N	1	0	371.547	1.668	20	30		FDEDRO
COc1cc(Cl)ccc1CNC(=[NH2+])N1CCN(c2ncccn2)CC1	ZINC000262545542	672805485	/nfs/dbraw/zinc/80/54/85/672805485.db2.gz	VAFYKDVNGISWGH-UHFFFAOYSA-N	1	0	360.849	1.776	20	30		FDEDRO
CC[NH+]=C(NCC1CCCCC1)N1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000262584917	672811456	/nfs/dbraw/zinc/81/14/56/672811456.db2.gz	SBLDRPGKKIEPIK-QGZVFWFLSA-N	1	0	350.507	1.855	20	30		FDEDRO
C[C@@H]1C[NH+]=C(NCC(=O)Nc2ccc(I)cc2)N1	ZINC000262664813	672827700	/nfs/dbraw/zinc/82/77/00/672827700.db2.gz	OGCSBXIZWHBYEH-MRVPVSSYSA-N	1	0	358.183	1.167	20	30		FDEDRO
CO[C@@H]1COCC[C@H]1CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1	ZINC000263157335	672864692	/nfs/dbraw/zinc/86/46/92/672864692.db2.gz	QEKISAIXJYQPCG-WMLDXEAASA-N	1	0	350.438	1.314	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Cc2cccc(NS(C)(=O)=O)c2)CC1	ZINC000264462633	672913728	/nfs/dbraw/zinc/91/37/28/672913728.db2.gz	RYXNAHBIXVSSSU-UHFFFAOYSA-N	1	0	365.499	1.757	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NC[C@H](C)CN2CCOCC2)cc1OC	ZINC000267470481	673307180	/nfs/dbraw/zinc/30/71/80/673307180.db2.gz	XQVFYVXGISXETQ-AWEZNQCLSA-N	1	0	350.463	1.076	20	30		FDEDRO
CCS(=O)(=O)NC1CC[NH+](Cc2ccc(N(C)CCC#N)cc2)CC1	ZINC000289392988	676128715	/nfs/dbraw/zinc/12/87/15/676128715.db2.gz	FGGCJNAGVPSGAB-UHFFFAOYSA-N	1	0	364.515	1.940	20	30		FDEDRO
COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000289640092	676161901	/nfs/dbraw/zinc/16/19/01/676161901.db2.gz	BXDYQMRTGZXYDL-WMLDXEAASA-N	1	0	365.455	1.438	20	30		FDEDRO
N#Cc1cncc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1	ZINC000289783071	676177834	/nfs/dbraw/zinc/17/78/34/676177834.db2.gz	LVOGZIVOKDLBDT-QGZVFWFLSA-N	1	0	356.451	1.896	20	30		FDEDRO
C[NH+](C)CCC1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1	ZINC000290372717	676200392	/nfs/dbraw/zinc/20/03/92/676200392.db2.gz	RIULZZKCFLAWFD-UHFFFAOYSA-N	1	0	350.488	1.391	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)C[C@@H]2C1	ZINC000282495338	675630965	/nfs/dbraw/zinc/63/09/65/675630965.db2.gz	YMWLRZMNIYNRKU-TXEJJXNPSA-N	1	0	359.373	1.759	20	30		FDEDRO
Cc1cc(S(=O)(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)ccc1C#N	ZINC000282587805	675636688	/nfs/dbraw/zinc/63/66/88/675636688.db2.gz	PVWUUJVOZRDIDG-UHFFFAOYSA-N	1	0	350.488	1.171	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1	ZINC000283017765	675647390	/nfs/dbraw/zinc/64/73/90/675647390.db2.gz	PFDVSOGFTSDJAN-HOTGVXAUSA-N	1	0	352.504	1.965	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2c(F)cccc2Cl)CC1	ZINC000283585913	675658621	/nfs/dbraw/zinc/65/86/21/675658621.db2.gz	RPTBXGXUQNLZGJ-UHFFFAOYSA-N	1	0	353.825	1.862	20	30		FDEDRO
N#CCCOCC[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1	ZINC000292858063	676321847	/nfs/dbraw/zinc/32/18/47/676321847.db2.gz	RFQKMXVFTSZYIQ-UHFFFAOYSA-N	1	0	355.435	1.499	20	30		FDEDRO
N#CCCOCCN1CCN(C(=O)c2ccccc2OC(F)F)CC1	ZINC000293503068	676353276	/nfs/dbraw/zinc/35/32/76/676353276.db2.gz	NSSBRSZQQIVIRB-UHFFFAOYSA-N	1	0	353.369	1.976	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1sccc1Br	ZINC000293942398	676371832	/nfs/dbraw/zinc/37/18/32/676371832.db2.gz	ZYPIMQWEZQKEDM-UHFFFAOYSA-N	1	0	351.291	1.744	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1	ZINC000297777798	676429105	/nfs/dbraw/zinc/42/91/05/676429105.db2.gz	LWWFXAXHYOVUSQ-MJBXVCDLSA-N	1	0	364.471	1.929	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])N[C@H]2CCN(CC(F)(F)F)C2)cc1OC	ZINC000303879955	676543518	/nfs/dbraw/zinc/54/35/18/676543518.db2.gz	JVYPDRNHDLNMLM-LBPRGKRZSA-N	1	0	360.380	1.745	20	30		FDEDRO
COCCNS(=O)(=O)c1ccc(CNC(=[NH2+])N2CCC[C@H](C)C2)cc1	ZINC000303875361	676543519	/nfs/dbraw/zinc/54/35/19/676543519.db2.gz	HPHVXLCNFVCDON-AWEZNQCLSA-N	1	0	368.503	1.158	20	30		FDEDRO
CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=[NH2+])NCC1CCC1	ZINC000303900721	676543738	/nfs/dbraw/zinc/54/37/38/676543738.db2.gz	WXAQLSOBTBKDOC-UHFFFAOYSA-N	1	0	352.504	1.968	20	30		FDEDRO
CCCC[NH+]=C(NCCN1CCCS1(=O)=O)NCc1ccc(C)cc1	ZINC000303986392	676543875	/nfs/dbraw/zinc/54/38/75/676543875.db2.gz	UKCDASHNRPSGTO-UHFFFAOYSA-N	1	0	366.531	1.866	20	30		FDEDRO
[NH2+]=C(NCCC(=O)N1CCN(c2ccccc2)CC1)N1CCSCC1	ZINC000303986416	676544017	/nfs/dbraw/zinc/54/40/17/676544017.db2.gz	ULNUSWQBCIARML-UHFFFAOYSA-N	1	0	361.515	1.089	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCC2(CCO)CCCCC2)CC1	ZINC000304834774	676544701	/nfs/dbraw/zinc/54/47/01/676544701.db2.gz	FEJRHMOVTWSEDT-UHFFFAOYSA-N	1	0	354.495	1.845	20	30		FDEDRO
CC(C)OC(=O)CCCNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000305794402	676545299	/nfs/dbraw/zinc/54/52/99/676545299.db2.gz	TVUBNTVCIXPGFR-UHFFFAOYSA-N	1	0	356.467	1.586	20	30		FDEDRO
CCCC(=O)N1CSC[C@@H]1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	ZINC000328700294	676602877	/nfs/dbraw/zinc/60/28/77/676602877.db2.gz	IPGKXQFNZNWDPX-CQSZACIVSA-N	1	0	356.536	1.671	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H](S(C)(=O)=O)CC1	ZINC000328703068	676603080	/nfs/dbraw/zinc/60/30/80/676603080.db2.gz	JXTZTDFBBMLRKT-HZPDHXFCSA-N	1	0	359.536	1.920	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1CCC(=O)NC12CCC2	ZINC000328714220	676603701	/nfs/dbraw/zinc/60/37/01/676603701.db2.gz	CGKDEGRXISVBOU-KGLIPLIRSA-N	1	0	352.479	1.719	20	30		FDEDRO
CC[C@@H]1CN(C(=O)N[C@H]2CCC(=O)NC23CCC3)CC[N@@H+]1CCOC	ZINC000328719574	676603983	/nfs/dbraw/zinc/60/39/83/676603983.db2.gz	VROKCHMMWXYDBG-CABCVRRESA-N	1	0	352.479	1.985	20	30		FDEDRO
Cn1cc(-c2nc(C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)cs2)cn1	ZINC000328722685	676604124	/nfs/dbraw/zinc/60/41/24/676604124.db2.gz	SAQJKDFZXLHDRW-UHFFFAOYSA-N	1	0	362.503	1.874	20	30		FDEDRO
Cc1csc([C@@H]2CN(C(=O)N[C@@H](C)CN3CCOCC3)CCO2)n1	ZINC000328777494	676606281	/nfs/dbraw/zinc/60/62/81/676606281.db2.gz	FWTXVWIUPBIQIE-JSGCOSHPSA-N	1	0	354.476	1.460	20	30		FDEDRO
CS(=O)(=O)N1CCC[C@@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)C1	ZINC000328794928	676607210	/nfs/dbraw/zinc/60/72/10/676607210.db2.gz	BRYTWYJPSSLARJ-OAHLLOKOSA-N	1	0	372.535	1.275	20	30		FDEDRO
COc1ccc(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)nn1	ZINC000329011651	676616184	/nfs/dbraw/zinc/61/61/84/676616184.db2.gz	APJMNKXEJRHGDP-UHFFFAOYSA-N	1	0	351.476	2.173	20	30		FDEDRO
COCCOc1ncccc1NC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1	ZINC000329047496	676617338	/nfs/dbraw/zinc/61/73/38/676617338.db2.gz	VNOXMSGESXIVFD-CABCVRRESA-N	1	0	350.419	1.057	20	30		FDEDRO
C[C@H](NC(=O)N1CCC[C@](O)(C(N)=O)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000329058695	676618001	/nfs/dbraw/zinc/61/80/01/676618001.db2.gz	MWXFZGGSXMMGAW-PMUMKWKESA-N	1	0	352.479	1.916	20	30		FDEDRO
CS(=O)(=O)N1CCC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1	ZINC000329116731	676620930	/nfs/dbraw/zinc/62/09/30/676620930.db2.gz	NNFOLEQIQSBPMO-JKSUJKDBSA-N	1	0	372.535	1.275	20	30		FDEDRO
O=C(NCCS(=O)(=O)c1ccccc1)N1CCC[C@H]1C[NH+]1CCCC1	ZINC000329123500	676621399	/nfs/dbraw/zinc/62/13/99/676621399.db2.gz	RUNJQJFKZNVGKE-INIZCTEOSA-N	1	0	365.499	1.935	20	30		FDEDRO
C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1	ZINC000329135867	676622168	/nfs/dbraw/zinc/62/21/68/676622168.db2.gz	GOYXJFLGTOTBKU-RYRKJORJSA-N	1	0	355.479	1.281	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)NCC2([NH+](C)C)CCC2)C1	ZINC000329157428	676622957	/nfs/dbraw/zinc/62/29/57/676622957.db2.gz	CLFVKFJBACSEQB-GJZGRUSLSA-N	1	0	352.479	1.096	20	30		FDEDRO
O=C(CSc1nnnn1C1CCOCC1)NC1CC[NH+](C2CC2)CC1	ZINC000329162893	676623198	/nfs/dbraw/zinc/62/31/98/676623198.db2.gz	ZXHGTIGYATWCQA-UHFFFAOYSA-N	1	0	366.491	1.700	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCN(Cc2ccsc2)CC1	ZINC000329161858	676623256	/nfs/dbraw/zinc/62/32/56/676623256.db2.gz	FMTLZRGSVORLPT-CVEARBPZSA-N	1	0	364.515	1.737	20	30		FDEDRO
Cc1nc(CC(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)c(C)s1	ZINC000329188863	676624037	/nfs/dbraw/zinc/62/40/37/676624037.db2.gz	QOAYYNSAFJMLQY-HNNXBMFYSA-N	1	0	350.488	1.954	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)CSCc3ccccn3)CC2)C1=O	ZINC000329201662	676624884	/nfs/dbraw/zinc/62/48/84/676624884.db2.gz	WRHGLXHTLYLWIU-MRXNPFEDSA-N	1	0	362.499	1.966	20	30		FDEDRO
CC[C@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C)C(=O)N1CCOCC1	ZINC000329295262	676631763	/nfs/dbraw/zinc/63/17/63/676631763.db2.gz	SIPUATQOFRMWAU-JYJNAYRXSA-N	1	0	352.479	1.096	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)N1CCC[C@@](F)(CO)C1	ZINC000329299309	676632036	/nfs/dbraw/zinc/63/20/36/676632036.db2.gz	UZECXTIDJJWNKJ-NUJGCVRESA-N	1	0	357.470	1.465	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)CN2CCC(N3CCNC3=O)CC2)CC1	ZINC000329315946	676632720	/nfs/dbraw/zinc/63/27/20/676632720.db2.gz	SAPCZDNUFJONBK-UHFFFAOYSA-N	1	0	351.495	1.510	20	30		FDEDRO
O=C(Nc1nncs1)C1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1	ZINC000329314261	676632783	/nfs/dbraw/zinc/63/27/83/676632783.db2.gz	RQYGNRDCFGUVGZ-LBPRGKRZSA-N	1	0	364.475	1.989	20	30		FDEDRO
C[C@@H](NC(=O)NCc1ccc(S(N)(=O)=O)s1)C1=CC[N@H+](C)CC1	ZINC000329341264	676633973	/nfs/dbraw/zinc/63/39/73/676633973.db2.gz	OUNSHRKHHFQWJV-SNVBAGLBSA-N	1	0	358.489	1.050	20	30		FDEDRO
CCS(=O)(=O)N1CCC(NC(=O)NCC2(C)CC[NH+](C)CC2)CC1	ZINC000329340511	676634047	/nfs/dbraw/zinc/63/40/47/676634047.db2.gz	OJRPVVVNUWGUHK-UHFFFAOYSA-N	1	0	360.524	1.036	20	30		FDEDRO
C[C@H](NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)[C@@H]1CCCOC1	ZINC000329389603	676636725	/nfs/dbraw/zinc/63/67/25/676636725.db2.gz	RYBPXKGDSGOJCA-JKSUJKDBSA-N	1	0	352.523	1.864	20	30		FDEDRO
CS(=O)(=O)c1ccc(OCCNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000329446068	676639212	/nfs/dbraw/zinc/63/92/12/676639212.db2.gz	LWDXPHPPDAVWJC-CQSZACIVSA-N	1	0	367.471	1.163	20	30		FDEDRO
Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1	ZINC000329515729	676642235	/nfs/dbraw/zinc/64/22/35/676642235.db2.gz	ORAUWYAAHSQDLF-JQWIXIFHSA-N	1	0	370.475	1.565	20	30		FDEDRO
CCC1(CC)CN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CCS1(=O)=O	ZINC000329819728	676659246	/nfs/dbraw/zinc/65/92/46/676659246.db2.gz	PGOOIACKXLLBBZ-HUUCEWRRSA-N	1	0	357.520	1.816	20	30		FDEDRO
O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N[C@@H]1CCCS(=O)(=O)C1	ZINC000329848407	676660598	/nfs/dbraw/zinc/66/05/98/676660598.db2.gz	PPKAZBVNQAQOMV-QGZVFWFLSA-N	1	0	365.499	1.863	20	30		FDEDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc2nc(C(F)(F)F)cn2c1	ZINC000329911560	676663716	/nfs/dbraw/zinc/66/37/16/676663716.db2.gz	ARBHUJNUBMOTEO-LBPRGKRZSA-N	1	0	355.364	1.904	20	30		FDEDRO
CN(C(=O)N[C@@H]1CC[S@@](=O)C1)C1CC[NH+](CCc2ccccn2)CC1	ZINC000329982349	676667146	/nfs/dbraw/zinc/66/71/46/676667146.db2.gz	AFUXGJLLWHHQNQ-PUAOIOHZSA-N	1	0	364.515	1.455	20	30		FDEDRO
CN(CC(=O)NC[C@]1([NH+](C)C)CCSC1)S(=O)(=O)c1cccnc1	ZINC000330055382	676670587	/nfs/dbraw/zinc/67/05/87/676670587.db2.gz	UHGPASGESNSAOL-OAHLLOKOSA-N	1	0	372.516	1.096	20	30		FDEDRO
C[N@H+](CCO)C1CCN(C(=O)N[C@@H]2CCOC3(CCSCC3)C2)CC1	ZINC000330166342	676676344	/nfs/dbraw/zinc/67/63/44/676676344.db2.gz	XUZBLEUUMHKBOT-OAHLLOKOSA-N	1	0	371.547	1.734	20	30		FDEDRO
CC(=O)NCCc1ccc(S(=O)(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)s1	ZINC000330219391	676679330	/nfs/dbraw/zinc/67/93/30/676679330.db2.gz	PMLILLFJPWLYFH-MRXNPFEDSA-N	1	0	371.528	1.983	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C	ZINC000330232747	676679822	/nfs/dbraw/zinc/67/98/22/676679822.db2.gz	RUCLXYJGKJDOAQ-BMFZPTHFSA-N	1	0	352.479	1.841	20	30		FDEDRO
CC1CC[NH+](C[C@@H](O)CNC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)CC1	ZINC000330321568	676683818	/nfs/dbraw/zinc/68/38/18/676683818.db2.gz	GBRRTWYRKRTEHE-YESZJQIVSA-N	1	0	350.463	1.547	20	30		FDEDRO
CC(C)C(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC(=O)NC(C)(C)C)C1	ZINC000330430769	676690274	/nfs/dbraw/zinc/69/02/74/676690274.db2.gz	IOBSYBCWYWNWCW-KGLIPLIRSA-N	1	0	354.495	1.688	20	30		FDEDRO
COc1ccc(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)cc1S(=O)(=O)N(C)C	ZINC000330585654	676697191	/nfs/dbraw/zinc/69/71/91/676697191.db2.gz	LLEBVLLTLZCCKJ-KGLIPLIRSA-N	1	0	369.487	1.733	20	30		FDEDRO
CC(=O)Nc1ccc(NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c(Cl)c1	ZINC000330698846	676700986	/nfs/dbraw/zinc/70/09/86/676700986.db2.gz	FCNKOEILQJRDKZ-CYBMUJFWSA-N	1	0	353.854	1.870	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)c2cc(Br)cnc2N(C)C)C1	ZINC000330771605	676703731	/nfs/dbraw/zinc/70/37/31/676703731.db2.gz	VNNDJPPGONONLA-LBPRGKRZSA-N	1	0	371.279	1.935	20	30		FDEDRO
C[C@H](CCNC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1)[NH+]1CCCCC1	ZINC000330823412	676705356	/nfs/dbraw/zinc/70/53/56/676705356.db2.gz	NYYMXNITNUHNII-CVEARBPZSA-N	1	0	374.551	1.426	20	30		FDEDRO
CCOC(=O)C(C)(C)n1cc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cn1	ZINC000330895275	676708344	/nfs/dbraw/zinc/70/83/44/676708344.db2.gz	RTXAVBOMZQXWQH-CHWSQXEVSA-N	1	0	351.451	1.751	20	30		FDEDRO
Cc1c(CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)cccc1[N+](=O)[O-]	ZINC000331089936	676716421	/nfs/dbraw/zinc/71/64/21/676716421.db2.gz	GYAGVWNTCYUGPX-UHFFFAOYSA-N	1	0	350.419	1.706	20	30		FDEDRO
CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ncccc2S(C)(=O)=O)C1	ZINC000331137319	676718107	/nfs/dbraw/zinc/71/81/07/676718107.db2.gz	JDXPXKBYXPBLPU-CYBMUJFWSA-N	1	0	354.476	1.173	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)C1	ZINC000331175461	676719933	/nfs/dbraw/zinc/71/99/33/676719933.db2.gz	JSPFBHPDINBGGI-OAGGEKHMSA-N	1	0	374.551	1.471	20	30		FDEDRO
CNS(=O)(=O)c1ccc(NC(=O)N[C@@H](C)C[NH+]2CCCCC2)nc1	ZINC000331177683	676720137	/nfs/dbraw/zinc/72/01/37/676720137.db2.gz	QLIJSUYIBNJHLG-LBPRGKRZSA-N	1	0	355.464	1.190	20	30		FDEDRO
CN(C)S(=O)(=O)c1ccccc1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1	ZINC000331253883	676724202	/nfs/dbraw/zinc/72/42/02/676724202.db2.gz	SDYRUKADWRUOOE-CQSZACIVSA-N	1	0	368.503	1.756	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CCC[N@H+](CC2CCCCC2)CC1	ZINC000332230379	676737429	/nfs/dbraw/zinc/73/74/29/676737429.db2.gz	DHFGITVECRPBNX-INIZCTEOSA-N	1	0	350.507	1.975	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1	ZINC000332383267	676740983	/nfs/dbraw/zinc/74/09/83/676740983.db2.gz	GMVWWDJEZWWLEN-RBSFLKMASA-N	1	0	360.549	1.224	20	30		FDEDRO
C[C@H]1C[NH+](CC2CCN(S(=O)(=O)CC3(CC#N)CC3)CC2)C[C@H](C)O1	ZINC000333402706	676769297	/nfs/dbraw/zinc/76/92/97/676769297.db2.gz	IVOPFJHPCVVLHC-HOTGVXAUSA-N	1	0	369.531	1.831	20	30		FDEDRO
CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)c1	ZINC000361033871	676881912	/nfs/dbraw/zinc/88/19/12/676881912.db2.gz	VECSMZWXAPWRGX-DDBAPUKQSA-N	1	0	363.483	1.924	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CSCN2C(=O)C2CCC2)CC1	ZINC000363662436	676967963	/nfs/dbraw/zinc/96/79/63/676967963.db2.gz	VPARHDAHVBRDOL-INIZCTEOSA-N	1	0	351.516	1.845	20	30		FDEDRO
CN1C(=O)CSC12CC[NH+](C[C@H](O)COc1ccc(C#N)cc1)CC2	ZINC000364295744	677005740	/nfs/dbraw/zinc/00/57/40/677005740.db2.gz	AHUCNFPPCLDNQL-HNNXBMFYSA-N	1	0	361.467	1.295	20	30		FDEDRO
Cc1cc(S(=O)(=O)N2CCC[N@H+](CC(C)(C)O)CC2)ccc1C#N	ZINC000365534831	677362044	/nfs/dbraw/zinc/36/20/44/677362044.db2.gz	PCAXRBBWXCVVPP-UHFFFAOYSA-N	1	0	351.472	1.334	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1C(F)(F)F	ZINC000366366450	677437675	/nfs/dbraw/zinc/43/76/75/677437675.db2.gz	YUEDWVOKNJZQMU-YGRLFVJLSA-N	1	0	359.373	1.950	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1C#N	ZINC000366639325	677456338	/nfs/dbraw/zinc/45/63/38/677456338.db2.gz	MIKDITMKFQZHBR-DJIMGWMZSA-N	1	0	363.483	1.739	20	30		FDEDRO
CCC[C@@]1(CO)CC[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1	ZINC000367356609	677491469	/nfs/dbraw/zinc/49/14/69/677491469.db2.gz	OQGCCTDPHHAPAP-IEBWSBKVSA-N	1	0	350.507	1.163	20	30		FDEDRO
CC(C)(C#N)CCS(=O)(=O)N1CCC(CC[NH+]2CCOCC2)CC1	ZINC000367721153	677494934	/nfs/dbraw/zinc/49/49/34/677494934.db2.gz	NQCBQQVNDZYFFS-UHFFFAOYSA-N	1	0	357.520	1.690	20	30		FDEDRO
C=CCCCCCCNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000367779655	677495682	/nfs/dbraw/zinc/49/56/82/677495682.db2.gz	LXHLGYUKBGZYQN-SFHVURJKSA-N	1	0	352.523	1.829	20	30		FDEDRO
O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1C[N@@H+]2CCN1CCC2	ZINC000368573746	677500553	/nfs/dbraw/zinc/50/05/53/677500553.db2.gz	UQBVZEHZSONQHA-MRXNPFEDSA-N	1	0	351.372	1.563	20	30		FDEDRO
C=CCCCCCN(C)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000369608486	677506566	/nfs/dbraw/zinc/50/65/66/677506566.db2.gz	ZONVXRXKCBTIPX-GOSISDBHSA-N	1	0	352.523	1.781	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1	ZINC000369947278	677530861	/nfs/dbraw/zinc/53/08/61/677530861.db2.gz	FVFWQHPULKNHCL-XIRDDKMYSA-N	1	0	365.503	1.342	20	30		FDEDRO
CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)S(=O)(=O)CCCC#N	ZINC000370264146	677558649	/nfs/dbraw/zinc/55/86/49/677558649.db2.gz	GGFFTOBMCBOFOG-UHFFFAOYSA-N	1	0	370.563	1.748	20	30		FDEDRO
N#Cc1ccsc1NC(=O)CCN1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO	ZINC000370352802	677568202	/nfs/dbraw/zinc/56/82/02/677568202.db2.gz	DVBNCZPZLBICJS-JKSUJKDBSA-N	1	0	362.499	1.869	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)OCC	ZINC000370666747	677603272	/nfs/dbraw/zinc/60/32/72/677603272.db2.gz	WNLRBIDFAYYCSE-NPYXIHBLSA-N	1	0	351.491	1.558	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1	ZINC000371734661	677768597	/nfs/dbraw/zinc/76/85/97/677768597.db2.gz	OROHMDKNPZHVHB-HOCLYGCPSA-N	1	0	355.504	1.246	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C	ZINC000374444991	678080515	/nfs/dbraw/zinc/08/05/15/678080515.db2.gz	WZPQANJJFPYWDV-CVEARBPZSA-N	1	0	358.508	1.040	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000374460656	678082847	/nfs/dbraw/zinc/08/28/47/678082847.db2.gz	HDZLTZHOGULXOF-PMPSAXMXSA-N	1	0	372.535	1.144	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccnc2)C1	ZINC000374536100	678085508	/nfs/dbraw/zinc/08/55/08/678085508.db2.gz	IBVBGIQAZNIPJQ-NVXWUHKLSA-N	1	0	365.503	1.362	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NCC1([NH+]2CCSCC2)CCCCC1	ZINC000374539424	678086544	/nfs/dbraw/zinc/08/65/44/678086544.db2.gz	WOTPXIRSJBVWHJ-HNNXBMFYSA-N	1	0	374.576	1.806	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000376648613	678354434	/nfs/dbraw/zinc/35/44/34/678354434.db2.gz	KGGPEWAYIYDVEX-FUHWJXTLSA-N	1	0	364.515	1.824	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1	ZINC000409473217	678846243	/nfs/dbraw/zinc/84/62/43/678846243.db2.gz	BIZWYCOSWDFZIM-INIZCTEOSA-N	1	0	360.524	1.051	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C	ZINC000409482988	678848705	/nfs/dbraw/zinc/84/87/05/678848705.db2.gz	HPJURARKKZBAAC-BFYDXBDKSA-N	1	0	352.504	1.994	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1	ZINC000409490767	678850359	/nfs/dbraw/zinc/85/03/59/678850359.db2.gz	IVPYGQBDCXCCNX-NVXWUHKLSA-N	1	0	350.488	1.719	20	30		FDEDRO
N#C[C@@H]1CN(S(=O)(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CCO1	ZINC000409499017	678852615	/nfs/dbraw/zinc/85/26/15/678852615.db2.gz	GUWCRJJPRICQGT-QGZVFWFLSA-N	1	0	370.519	1.044	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C	ZINC000409589361	678864754	/nfs/dbraw/zinc/86/47/54/678864754.db2.gz	PMOPATUIOHYLNF-NVXWUHKLSA-N	1	0	352.504	1.914	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)NCC1([NH+](C)C)Cc2ccccc2C1	ZINC000410159175	678888278	/nfs/dbraw/zinc/88/82/78/678888278.db2.gz	MRRJTYOQORKNMG-OAHLLOKOSA-N	1	0	364.515	1.402	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)NCc1ccc(CC[NH+](C)C)cc1	ZINC000410416488	678895344	/nfs/dbraw/zinc/89/53/44/678895344.db2.gz	CXTIEGGSEMMJLL-OAHLLOKOSA-N	1	0	352.504	1.607	20	30		FDEDRO
CO[C@@](C)([C@H](C)[NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C1CC1	ZINC000411966912	679137844	/nfs/dbraw/zinc/13/78/44/679137844.db2.gz	HJUYJUHOTRMRHL-IEZWGBDMSA-N	1	0	350.507	1.472	20	30		FDEDRO
CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H]([NH3+])CCCC#N)ccc1C	ZINC000424075085	680828702	/nfs/dbraw/zinc/82/87/02/680828702.db2.gz	IQNGRCBHAUXOMF-OAHLLOKOSA-N	1	0	366.487	1.985	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC[NH2+]C2)cc1	ZINC000414902429	679373669	/nfs/dbraw/zinc/37/36/69/679373669.db2.gz	YFRSVFNYCHGMLR-CQSZACIVSA-N	1	0	352.460	1.367	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC[C@H]1[NH3+]	ZINC000415445999	679432579	/nfs/dbraw/zinc/43/25/79/679432579.db2.gz	PGFABRFYZUVTBW-TVQRCGJNSA-N	1	0	365.231	1.455	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)ccc1Br	ZINC000415458422	679433957	/nfs/dbraw/zinc/43/39/57/679433957.db2.gz	VTKDMJKHKBLIKT-GFCCVEGCSA-N	1	0	351.204	1.113	20	30		FDEDRO
CC(C)[C@H]1CCc2c(C#N)c(NC(=O)C(=O)NCC3C[NH2+]C3)sc2C1	ZINC000415540126	679447738	/nfs/dbraw/zinc/44/77/38/679447738.db2.gz	XNYDBSXBFWIZHH-LBPRGKRZSA-N	1	0	360.483	1.655	20	30		FDEDRO
C[C@H](CC[NH3+])NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000415550237	679449683	/nfs/dbraw/zinc/44/96/83/679449683.db2.gz	IVXVEGQGKSQWOF-SECBINFHSA-N	1	0	358.320	1.291	20	30		FDEDRO
CC(C)(C)c1csc(NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)c1C#N	ZINC000415599157	679461827	/nfs/dbraw/zinc/46/18/27/679461827.db2.gz	FLFWJODMMISFJP-JTQLQIEISA-N	1	0	350.444	1.042	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[NH2+]C(C)(C)C2)cc1	ZINC000415603271	679463189	/nfs/dbraw/zinc/46/31/89/679463189.db2.gz	UBROETLBKHXDTC-LBPRGKRZSA-N	1	0	350.444	1.588	20	30		FDEDRO
C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000415621640	679466980	/nfs/dbraw/zinc/46/69/80/679466980.db2.gz	JZTUABQHMVHIMV-CABZTGNLSA-N	1	0	352.341	1.212	20	30		FDEDRO
C[C@@H](NS(=O)(=O)[C@@H](C)C#N)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000416392065	679600813	/nfs/dbraw/zinc/60/08/13/679600813.db2.gz	UEKXDDKBCFDJNC-QWHCGFSZSA-N	1	0	354.451	1.470	20	30		FDEDRO
C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCCSCc1ccccc1C#N	ZINC000418923858	680154430	/nfs/dbraw/zinc/15/44/30/680154430.db2.gz	OMTQYDRGUDUGPO-CJNGLKHVSA-N	1	0	360.483	1.164	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)c1ccc(F)c(F)c1	ZINC000419682973	680319670	/nfs/dbraw/zinc/31/96/70/680319670.db2.gz	UIYZXPFAZXKATA-RLCCDNCMSA-N	1	0	351.397	1.894	20	30		FDEDRO
N#Cc1nc(NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1C(F)(F)F	ZINC000420240723	680421981	/nfs/dbraw/zinc/42/19/81/680421981.db2.gz	KPUIREKRDKCFCN-LLVKDONJSA-N	1	0	367.297	2.220	20	30		FDEDRO
C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1cccc(Br)c1C#N	ZINC000420431775	680447691	/nfs/dbraw/zinc/44/76/91/680447691.db2.gz	XNCKMDISXCTEKC-ZJUUUORDSA-N	1	0	358.261	1.679	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2C#N)CC[C@@H]1[NH3+]	ZINC000420440973	680452543	/nfs/dbraw/zinc/45/25/43/680452543.db2.gz	CHBMKCVYQCLGLU-SKDRFNHKSA-N	1	0	358.261	1.679	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH3+]	ZINC000420460801	680463451	/nfs/dbraw/zinc/46/34/51/680463451.db2.gz	RNIBGTIYQSUPKY-BXKDBHETSA-N	1	0	358.261	1.726	20	30		FDEDRO
C[NH+](C)CCOc1cnccc1CNC(=O)NCc1ccc(C#N)s1	ZINC000420850310	680563037	/nfs/dbraw/zinc/56/30/37/680563037.db2.gz	VEUZLOSFEVJACS-UHFFFAOYSA-N	1	0	359.455	1.955	20	30		FDEDRO
C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NCC(C)(C)CC#N)C1	ZINC000421657399	680670523	/nfs/dbraw/zinc/67/05/23/680670523.db2.gz	TVKLCWCIQZJMKV-IYBDPMFKSA-N	1	0	350.507	1.917	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C1CCOCC1)C1(CO)CCC1	ZINC000425538448	680908619	/nfs/dbraw/zinc/90/86/19/680908619.db2.gz	JIXGNGFTCGGGPR-CRAIPNDOSA-N	1	0	351.491	1.542	20	30		FDEDRO
Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)Cn1cnc(C#N)n1	ZINC000426410043	680957172	/nfs/dbraw/zinc/95/71/72/680957172.db2.gz	JUOSNCCNYONJPY-UHFFFAOYSA-N	1	0	356.455	1.646	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C	ZINC000430401603	681075398	/nfs/dbraw/zinc/07/53/98/681075398.db2.gz	CIJIHXCNPWQBNU-ZACQAIPSSA-N	1	0	351.491	1.417	20	30		FDEDRO
C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccc(F)c(C#N)c1	ZINC000433066358	681172077	/nfs/dbraw/zinc/17/20/77/681172077.db2.gz	HBXPWTTVKJPOKA-UHFFFAOYSA-N	1	0	363.414	1.856	20	30		FDEDRO
CN(CC[NH2+]Cc1cc(C#N)n(C)c1)S(=O)(=O)c1ccc(F)cc1	ZINC000435728998	681631134	/nfs/dbraw/zinc/63/11/34/681631134.db2.gz	APQQUXHPUISJOZ-UHFFFAOYSA-N	1	0	350.419	1.446	20	30		FDEDRO
C[C@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)[C@H]1CCC[NH2+]C1	ZINC000440355966	681990944	/nfs/dbraw/zinc/99/09/44/681990944.db2.gz	NUXTYXIOLVLTRV-JQWIXIFHSA-N	1	0	372.288	1.987	20	30		FDEDRO
N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)C1	ZINC000442794113	682181509	/nfs/dbraw/zinc/18/15/09/682181509.db2.gz	RJZVTMPOKPKEDP-IKGGRYGDSA-N	1	0	363.483	1.926	20	30		FDEDRO
CC[C@H]([NH2+][C@H](C)C(=O)NC[C@@H]1CCS(=O)(=O)C1)c1ccc(C#N)cc1	ZINC000447588500	682555827	/nfs/dbraw/zinc/55/58/27/682555827.db2.gz	UQGRWJQKVBEPID-KMFMINBZSA-N	1	0	363.483	1.538	20	30		FDEDRO
C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H]1C[NH2+]CCN1C	ZINC000449693771	682700927	/nfs/dbraw/zinc/70/09/27/682700927.db2.gz	FGSLGWSGWTVCSV-ZDUSSCGKSA-N	1	0	357.376	1.904	20	30		FDEDRO
N#Cc1cccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1Br	ZINC000450235038	682746378	/nfs/dbraw/zinc/74/63/78/682746378.db2.gz	WBDBISVGHZXGCG-CYBMUJFWSA-N	1	0	366.259	1.897	20	30		FDEDRO
CC[N@H+](CCO)CCNC(=O)COc1ccc(C#N)c(Br)c1	ZINC000450682356	682772916	/nfs/dbraw/zinc/77/29/16/682772916.db2.gz	NWYQXKILGWQIHQ-UHFFFAOYSA-N	1	0	370.247	1.130	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@H](C)CO	ZINC000450741620	682777558	/nfs/dbraw/zinc/77/75/58/682777558.db2.gz	ZXWRQDGSGQJIOM-RBSFLKMASA-N	1	0	350.488	1.063	20	30		FDEDRO
C=CCC[C@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)C(=O)OCC	ZINC000451987163	682990642	/nfs/dbraw/zinc/99/06/42/682990642.db2.gz	FZQPIOQLPIJFIP-INIZCTEOSA-N	1	0	354.472	1.924	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000455751650	683495152	/nfs/dbraw/zinc/49/51/52/683495152.db2.gz	AQSFNIQIKQQSCH-LLVKDONJSA-N	1	0	351.838	1.916	20	30		FDEDRO
CC1CC[NH+](C[C@@H](O)CNC(=O)Nc2cnc(C#N)c(Cl)c2)CC1	ZINC000455778945	683499423	/nfs/dbraw/zinc/49/94/23/683499423.db2.gz	HGRAFWLSVODZOI-ZDUSSCGKSA-N	1	0	351.838	1.821	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1	ZINC000459826234	684464520	/nfs/dbraw/zinc/46/45/20/684464520.db2.gz	WLYFFDNCJDTERZ-MRXNPFEDSA-N	1	0	350.507	1.038	20	30		FDEDRO
CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@@H](C#N)C2)c1	ZINC000463291525	684682298	/nfs/dbraw/zinc/68/22/98/684682298.db2.gz	XFNZRWMDQCBKIR-MJBXVCDLSA-N	1	0	364.471	1.594	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)C1	ZINC000465488851	684784745	/nfs/dbraw/zinc/78/47/45/684784745.db2.gz	FIGZPABMKOZFLS-MRXNPFEDSA-N	1	0	369.462	1.819	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H](NC(=O)NC)C1)C(C)C	ZINC000467806424	684877188	/nfs/dbraw/zinc/87/71/88/684877188.db2.gz	RPNYWDXMCZNPSY-HZPDHXFCSA-N	1	0	351.495	1.398	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(C(=O)c2ncc(C#N)cc2Cl)CC1	ZINC000478473213	685907152	/nfs/dbraw/zinc/90/71/52/685907152.db2.gz	JKTSXEQNJLPAJS-UHFFFAOYSA-N	1	0	357.801	1.973	20	30		FDEDRO
CC1CC[NH+](C[C@H](O)CNS(=O)(=O)Cc2ccc(C#N)cc2F)CC1	ZINC000481014865	686279805	/nfs/dbraw/zinc/27/98/05/686279805.db2.gz	PKQIQCVTHRQFPK-MRXNPFEDSA-N	1	0	369.462	1.210	20	30		FDEDRO
C[C@H]1OCC[C@@H]1[N@H+](CCO)CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000483282536	686484380	/nfs/dbraw/zinc/48/43/80/686484380.db2.gz	PGOHEBGFEAFVSD-DOMZBBRYSA-N	1	0	363.483	1.909	20	30		FDEDRO
C[C@H]1[C@@H](CO)CC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000488791776	687059449	/nfs/dbraw/zinc/05/94/49/687059449.db2.gz	ZPAJSQPPWRHUEO-DZGCQCFKSA-N	1	0	354.372	1.876	20	30		FDEDRO
C[C@H](CNS(=O)(=O)c1cccc(Br)c1C#N)C[NH+](C)C	ZINC000490045679	687128552	/nfs/dbraw/zinc/12/85/52/687128552.db2.gz	HCZIOFFYJVIAOQ-SNVBAGLBSA-N	1	0	360.277	1.797	20	30		FDEDRO
C=CCN(CC(F)(F)F)C(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1	ZINC000498226755	687768910	/nfs/dbraw/zinc/76/89/10/687768910.db2.gz	NUVYAABRAJITMX-ZIAGYGMSSA-N	1	0	361.408	1.896	20	30		FDEDRO
C=CCc1cc(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)cc(OC)c1O	ZINC000500492946	688092980	/nfs/dbraw/zinc/09/29/80/688092980.db2.gz	CTYHKTFCGNVEIM-HOTGVXAUSA-N	1	0	368.499	1.937	20	30		FDEDRO
C=CCn1c([C@H](C)OCCOC)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1	ZINC000508748858	688749828	/nfs/dbraw/zinc/74/98/28/688749828.db2.gz	SSPOKFIUGFXXGY-JKSUJKDBSA-N	1	0	351.495	1.965	20	30		FDEDRO
C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([NH2+]C(C)C)CC1	ZINC000508847977	688757489	/nfs/dbraw/zinc/75/74/89/688757489.db2.gz	XODXVOCOHQPRGB-ZDUSSCGKSA-N	1	0	370.523	1.041	20	30		FDEDRO
C=CCCCNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1	ZINC000516592634	689969303	/nfs/dbraw/zinc/96/93/03/689969303.db2.gz	FZASEXYHBIQHJW-UHFFFAOYSA-N	1	0	353.532	1.937	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1CSCCN1Cc1ccccc1	ZINC000516762916	689987030	/nfs/dbraw/zinc/98/70/30/689987030.db2.gz	YBMHFQZJDPTANL-RTBURBONSA-N	1	0	362.543	1.400	20	30		FDEDRO
N#CCc1ccc(CS(=O)(=O)N2CCC(OCCC[NH3+])CC2)cc1	ZINC000520811619	690358282	/nfs/dbraw/zinc/35/82/82/690358282.db2.gz	NPBLKTBVVZYNFQ-UHFFFAOYSA-N	1	0	351.472	1.412	20	30		FDEDRO
Cn1ncc(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1C#N	ZINC000527024183	694650283	/nfs/dbraw/zinc/65/02/83/694650283.db2.gz	RDTGXQCDPWUFNC-UHFFFAOYSA-N	1	0	355.364	1.827	20	30		FDEDRO
CCC1(CC)CN(C[C@H](O)COc2ccccc2C#N)CC[S@]1=O	ZINC000528448588	694719665	/nfs/dbraw/zinc/71/96/65/694719665.db2.gz	BTFVZOMJCSEMFR-UPCLLVRISA-N	1	0	350.484	1.921	20	30		FDEDRO
CS(=O)(=O)[C@@H]1CCCCN(C[C@H](O)COc2ccccc2C#N)C1	ZINC000528479407	694721658	/nfs/dbraw/zinc/72/16/58/694721658.db2.gz	WZVWORCLZJOITN-JKSUJKDBSA-N	1	0	352.456	1.197	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCCC[C@H]([NH3+])C2)c1	ZINC000638824688	695403564	/nfs/dbraw/zinc/40/35/64/695403564.db2.gz	URJALRRJKPPOFG-HNNXBMFYSA-N	1	0	351.472	1.494	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)c1	ZINC000639026699	695421688	/nfs/dbraw/zinc/42/16/88/695421688.db2.gz	GSAMMFRTSKRONI-RDJZCZTQSA-N	1	0	363.483	1.365	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1NC1CCN(CC[NH+](C)C)CC1	ZINC000641289019	696032866	/nfs/dbraw/zinc/03/28/66/696032866.db2.gz	WNPZTRRHAMWOHH-UHFFFAOYSA-N	1	0	366.531	1.589	20	30		FDEDRO
N#Cc1cc(C(F)(F)N2CCCO[C@@]3(C[NH2+]CCOC3)C2)cnc1Cl	ZINC001164426264	718914411	/nfs/dbraw/zinc/91/44/11/718914411.db2.gz	YXBBMWPZZDUBAS-HNNXBMFYSA-N	1	0	372.803	1.737	20	30		FDEDRO
CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(Cl)nc(C#N)c1	ZINC001164619673	719015002	/nfs/dbraw/zinc/01/50/02/719015002.db2.gz	WSLCUODFFZLTBA-ICCXJUOJSA-N	1	0	370.787	1.881	20	30		FDEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(c1ncnc3ccc(C#N)cc31)CC2	ZINC001164683579	719704909	/nfs/dbraw/zinc/70/49/09/719704909.db2.gz	LBKPKWJYJUKYLM-UHFFFAOYSA-N	1	0	364.453	1.682	20	30		FDEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(c1[nH]ccc3ncc(C#N)c1-3)CC2	ZINC001164687530	719735364	/nfs/dbraw/zinc/73/53/64/719735364.db2.gz	ZBEHASABZNOQJF-UHFFFAOYSA-N	1	0	352.442	1.615	20	30		FDEDRO
Cn1nnc2c1CCN(c1ccc(C#N)cn1)[C@H]2COCC[NH+]1CCCC1	ZINC001164715770	720164085	/nfs/dbraw/zinc/16/40/85/720164085.db2.gz	WMFSMMJZMZRCFL-KRWDZBQOSA-N	1	0	367.457	1.298	20	30		FDEDRO
Cc1cc(C#N)c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1C	ZINC001164738426	720674798	/nfs/dbraw/zinc/67/47/98/720674798.db2.gz	JPGLDKDIJWCYLB-DLBZAZTESA-N	1	0	350.426	1.702	20	30		FDEDRO
Cc1nc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1C#N	ZINC001164740053	720701260	/nfs/dbraw/zinc/70/12/60/720701260.db2.gz	PJOMRESGXQBXEJ-STQMWFEESA-N	1	0	371.832	1.442	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3ncc(Cl)nc3C#N)CC[C@@H]2C1	ZINC001164852821	720840806	/nfs/dbraw/zinc/84/08/06/720840806.db2.gz	LNASRWIPNBYXHK-OCCSQVGLSA-N	1	0	351.838	1.175	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4ccc(C#N)cc43)CC[C@H]2C1	ZINC001164852580	720841798	/nfs/dbraw/zinc/84/17/98/720841798.db2.gz	LALJPGXZEJDOCG-QFBILLFUSA-N	1	0	367.453	1.675	20	30		FDEDRO
N#Cc1c(Cl)ncnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164866526	721062401	/nfs/dbraw/zinc/06/24/01/721062401.db2.gz	FASRNYBVPXYIMF-CABCVRRESA-N	1	0	370.844	1.876	20	30		FDEDRO
N#Cc1cnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c(F)c1	ZINC001164865186	721116415	/nfs/dbraw/zinc/11/64/15/721116415.db2.gz	JLTUZQHZIYGIRM-DLBZAZTESA-N	1	0	353.401	1.967	20	30		FDEDRO
CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(CC#N)ccn4)C3)O2)CC1	ZINC001164895812	721424218	/nfs/dbraw/zinc/42/42/18/721424218.db2.gz	PXPWZXWSVCPHLA-CTNGQTDRSA-N	1	0	369.513	1.913	20	30		FDEDRO
Cc1cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc(C#N)n1	ZINC001165001638	722254129	/nfs/dbraw/zinc/25/41/29/722254129.db2.gz	DTFGKHACSIECHC-UHFFFAOYSA-N	1	0	355.446	1.342	20	30		FDEDRO
COc1ccc(N2CC[NH+](CCCNc3nccnc3C#N)CC2)cc1	ZINC000263931827	782481691	/nfs/dbraw/zinc/48/16/91/782481691.db2.gz	WQKFGAQYARGIMF-UHFFFAOYSA-N	1	0	352.442	1.981	20	30		FDEDRO
CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1OCC#N)[NH+](C)C	ZINC000161235410	782542015	/nfs/dbraw/zinc/54/20/15/782542015.db2.gz	XPHMYHVOVXOGPY-CQSZACIVSA-N	1	0	364.421	1.759	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21	ZINC001022717791	782571167	/nfs/dbraw/zinc/57/11/67/782571167.db2.gz	LGOYQXLHVFORLM-JLJPHGGASA-N	1	0	355.442	1.044	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1	ZINC001022722604	782609870	/nfs/dbraw/zinc/60/98/70/782609870.db2.gz	RYLLASZLRVSHBG-XUWVNRHRSA-N	1	0	358.417	1.158	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@H]1c1ccccc1	ZINC001211543852	782688678	/nfs/dbraw/zinc/68/86/78/782688678.db2.gz	MSSITIWZJCNRDR-RBUKOAKNSA-N	1	0	371.481	1.299	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CNC(=O)OC)C[C@H]1c1ccccc1	ZINC001211543849	782689448	/nfs/dbraw/zinc/68/94/48/782689448.db2.gz	MPTZEUSPOBHMCD-DLBZAZTESA-N	1	0	361.442	1.129	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)CC)C[C@H]1C	ZINC001104223104	769035126	/nfs/dbraw/zinc/03/51/26/769035126.db2.gz	NDPNXXMNFFTRGV-BZUAXINKSA-N	1	0	359.536	1.355	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CC(C)(C)CO2)C[C@H]1C	ZINC001104412132	782791390	/nfs/dbraw/zinc/79/13/90/782791390.db2.gz	ZWNBCBXSJQCPRB-BRWVUGGUSA-N	1	0	363.502	1.015	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1	ZINC000969390471	770061430	/nfs/dbraw/zinc/06/14/30/770061430.db2.gz	IGUCYBPQOIKSSD-KURKYZTESA-N	1	0	370.453	1.062	20	30		FDEDRO
N#CCOc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc1	ZINC000969397263	770081104	/nfs/dbraw/zinc/08/11/04/770081104.db2.gz	KBGUBEGBAOEKQW-AZQPHWPRSA-N	1	0	367.449	1.703	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccc3c(c2)CCO3)C1	ZINC001022737405	782809375	/nfs/dbraw/zinc/80/93/75/782809375.db2.gz	XYRRKVQJWQPSBJ-HCXYKTFWSA-N	1	0	356.466	1.992	20	30		FDEDRO
C=CC[C@@H](CO)[NH2+]Cc1cn(C)nc1CN1C(=O)c2ccccc2C1=O	ZINC000657434799	782873219	/nfs/dbraw/zinc/87/32/19/782873219.db2.gz	HVJBDAZKWHFHGI-AWEZNQCLSA-N	1	0	354.410	1.243	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC001020590497	770903503	/nfs/dbraw/zinc/90/35/03/770903503.db2.gz	YQDPGUPTUTXEDU-YHUYYLMFSA-N	1	0	358.417	1.158	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1	ZINC000275003776	771035685	/nfs/dbraw/zinc/03/56/85/771035685.db2.gz	CUZQQDVTSUJGPQ-QGZVFWFLSA-N	1	0	369.465	1.827	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC000969969802	771135528	/nfs/dbraw/zinc/13/55/28/771135528.db2.gz	JGGINRIALLVOOS-OAGGEKHMSA-N	1	0	358.417	1.112	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NCc2nc(C(C)C)ns2)C1	ZINC000970017680	771206544	/nfs/dbraw/zinc/20/65/44/771206544.db2.gz	XRGYHCNHVSRAMV-MCIONIFRSA-N	1	0	350.488	1.943	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1	ZINC001020713602	771285573	/nfs/dbraw/zinc/28/55/73/771285573.db2.gz	CRUIWTLPRQKKNK-DNCCFGNJSA-N	1	0	359.474	1.374	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc(C)n2CCC)C1	ZINC001020728812	771310407	/nfs/dbraw/zinc/31/04/07/771310407.db2.gz	GFSJVJSEACXAKF-OVWQWFNUSA-N	1	0	361.490	1.715	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21	ZINC001022750810	782918434	/nfs/dbraw/zinc/91/84/34/782918434.db2.gz	SVWQADPHOZDBHF-HZMVEIRTSA-N	1	0	361.486	1.121	20	30		FDEDRO
CC[C@@H](C(=O)N1CCO[C@@H]2CN(Cc3ccc(C#N)s3)C[C@@H]21)[NH+](C)C	ZINC001083195701	771416440	/nfs/dbraw/zinc/41/64/40/771416440.db2.gz	JWULQDQTEMNZFK-YESZJQIVSA-N	1	0	362.499	1.372	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCNC2=O)C1	ZINC001104239603	771600157	/nfs/dbraw/zinc/60/01/57/771600157.db2.gz	GPIUCXDZYWXCKH-HZPDHXFCSA-N	1	0	350.507	1.688	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC(=O)NC)C1	ZINC001104239724	771607225	/nfs/dbraw/zinc/60/72/25/771607225.db2.gz	MPFVHUFKFMNTFW-RBSFLKMASA-N	1	0	366.506	1.507	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1CC[NH2+]CC#Cc1ccc(F)cc1	ZINC001104241157	771638246	/nfs/dbraw/zinc/63/82/46/771638246.db2.gz	NIOQPCUWKYCCOP-SJLPKXTDSA-N	1	0	369.444	1.543	20	30		FDEDRO
Cc1ccc(NC(=O)C(=O)NCC2(CC#N)CC2)c(OCC[NH+](C)C)c1	ZINC000430350984	771660612	/nfs/dbraw/zinc/66/06/12/771660612.db2.gz	IDBLKKRTRCKEDE-UHFFFAOYSA-N	1	0	358.442	1.684	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)Nc2nncs2)C1	ZINC001104245658	771777241	/nfs/dbraw/zinc/77/72/41/771777241.db2.gz	VFLCVHJMYRHPOD-ZIAGYGMSSA-N	1	0	365.503	1.907	20	30		FDEDRO
CCc1nc(C#N)cc(NC[C@H](C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)n1	ZINC001104249469	771972970	/nfs/dbraw/zinc/97/29/70/771972970.db2.gz	RPNNOFXYWBHTEU-CWRNSKLLSA-N	1	0	358.490	1.805	20	30		FDEDRO
C=CCn1c(-c2nnn(C)c2C)nnc1N1CC[NH+](C(C)(C)CC)CC1	ZINC000655615439	772069627	/nfs/dbraw/zinc/06/96/27/772069627.db2.gz	YWFFZJRLUPYVOR-UHFFFAOYSA-N	1	0	358.494	1.879	20	30		FDEDRO
N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC(F)(F)F)C[C@H]1c1ccccc1	ZINC001211548208	782999498	/nfs/dbraw/zinc/99/94/98/782999498.db2.gz	MAYPUZUNCJNRFS-UONOGXRCSA-N	1	0	368.359	1.163	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]CC1(CCNC(=O)[C@H]2CC[C@@H](C)O2)CC1	ZINC001167293361	772332854	/nfs/dbraw/zinc/33/28/54/772332854.db2.gz	YXOHCOVAUCYBJC-IAGOWNOFSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC)C1)OCC	ZINC001104255301	772415191	/nfs/dbraw/zinc/41/51/91/772415191.db2.gz	BOHDHEOMCSSKJV-ZACQAIPSSA-N	1	0	353.507	1.568	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2cccnc2)CC1	ZINC001167296194	772496677	/nfs/dbraw/zinc/49/66/77/772496677.db2.gz	YVBSHIPBMDFTCI-RYQLBKOJSA-N	1	0	368.481	1.199	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCOC)C2)C[C@H]1C	ZINC001104259160	772511610	/nfs/dbraw/zinc/51/16/10/772511610.db2.gz	AAWFZZLZWUUEIC-ZACQAIPSSA-N	1	0	351.491	1.132	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC)C2)C[C@H]1C	ZINC001104260997	772516800	/nfs/dbraw/zinc/51/68/00/772516800.db2.gz	GVGLCBQYMBQSOD-ZACQAIPSSA-N	1	0	351.491	1.132	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)C[C@H]1C	ZINC001104266561	772631908	/nfs/dbraw/zinc/63/19/08/772631908.db2.gz	MZUVBBLQNDJGHT-IXDOHACOSA-N	1	0	371.547	1.451	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CCC(F)(F)C2)C[C@H]1C	ZINC001104274681	772702430	/nfs/dbraw/zinc/70/24/30/772702430.db2.gz	VGFBIWRELSGGGX-OWCLPIDISA-N	1	0	369.456	1.636	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)C3CCC(C(=O)N(C)C)CC3)[C@H]2C1	ZINC001083246093	783037370	/nfs/dbraw/zinc/03/73/70/783037370.db2.gz	ZHYFGDLHICYSDA-ZGUYJTEBSA-N	1	0	363.502	1.369	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](CC)C(N)=O)C2)CCOCC1	ZINC001104279811	772756476	/nfs/dbraw/zinc/75/64/76/772756476.db2.gz	QLFREFZNPZQAHY-BRWVUGGUSA-N	1	0	363.502	1.145	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nnnn3C3CC3)C2)CCC1	ZINC001104279946	772757278	/nfs/dbraw/zinc/75/72/78/772757278.db2.gz	WIWBVVCNOPAXLM-HZPDHXFCSA-N	1	0	370.501	1.776	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2ccnc3ccnn32)C[C@H]1C	ZINC001104284127	772835075	/nfs/dbraw/zinc/83/50/75/772835075.db2.gz	QYBJJYIGWFQYJM-HZPDHXFCSA-N	1	0	357.458	1.620	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccn(C)c(=O)c1	ZINC001087215945	783057633	/nfs/dbraw/zinc/05/76/33/783057633.db2.gz	ZVXCBRQTKOXLBS-LULLPPNCSA-N	1	0	373.497	1.693	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)c4coc(C)n4)[C@@H]3C2)CC1	ZINC001021453457	773401599	/nfs/dbraw/zinc/40/15/99/773401599.db2.gz	YBWHLIYRRLUQRR-FUHWJXTLSA-N	1	0	370.453	1.001	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)CCc2c(C)nc(=O)[nH]c2C)C[C@H]1C	ZINC001104288984	773479975	/nfs/dbraw/zinc/47/99/75/773479975.db2.gz	AZWRIPBLSKNYTK-RHSMWYFYSA-N	1	0	358.486	1.829	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@]2(CC[N@H+](CC(=O)NC3CC3)C2)C1	ZINC001041736638	773514056	/nfs/dbraw/zinc/51/40/56/773514056.db2.gz	UWUGBWOAHGBPSR-QRFRQXIXSA-N	1	0	361.486	1.171	20	30		FDEDRO
Cc1nc(N(C)C)nc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000479637956	783117770	/nfs/dbraw/zinc/11/77/70/783117770.db2.gz	YVSOWVJUZILAQG-UHFFFAOYSA-N	1	0	351.458	1.830	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cn(C)nn2)C1	ZINC001104293866	773874783	/nfs/dbraw/zinc/87/47/83/773874783.db2.gz	JIVBUCTXZMTPTN-HZPDHXFCSA-N	1	0	356.474	1.691	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnc(OCC4CC4)cn3)[C@H]2C1	ZINC001083246474	783132044	/nfs/dbraw/zinc/13/20/44/783132044.db2.gz	SPJHJRGTOPMJRB-DLBZAZTESA-N	1	0	358.442	1.367	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cncnc2C)C1=O	ZINC001087127714	774345109	/nfs/dbraw/zinc/34/51/09/774345109.db2.gz	FUTPBGPHCUHHOW-UWWQBHOKSA-N	1	0	371.485	1.402	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4CC45CCC5)[C@@H]3C2)CC1	ZINC001021657659	774394204	/nfs/dbraw/zinc/39/42/04/774394204.db2.gz	GTVQUUBHMVDMNO-GBESFXJTSA-N	1	0	369.509	1.581	20	30		FDEDRO
C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C[C@H]1C	ZINC001104312477	774593972	/nfs/dbraw/zinc/59/39/72/774593972.db2.gz	DZDVVFNPMWFPDB-YWTNHNAXSA-N	1	0	358.486	1.688	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2OCC[C@H]2CC)C[C@H]1C	ZINC001104312787	774596400	/nfs/dbraw/zinc/59/64/00/774596400.db2.gz	SJMVTHIYPQIHRE-KONPQCLYSA-N	1	0	351.491	1.178	20	30		FDEDRO
C[C@H](C[C@H]1CCCO1)NC(=O)N1CCN(c2ncnc3c2cnn3C)CC1	ZINC000328749660	774694644	/nfs/dbraw/zinc/69/46/44/774694644.db2.gz	MKTDFHHICVQDAF-ZIAGYGMSSA-N	1	0	373.461	1.357	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CO3)C[C@H]1C	ZINC001104315667	774729701	/nfs/dbraw/zinc/72/97/01/774729701.db2.gz	XZORKYUUXPKRIC-GDBMZVCRSA-N	1	0	355.438	1.729	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1(C[NH2+][C@@H](CCCC)C(N)=O)CC1	ZINC001167435134	774831910	/nfs/dbraw/zinc/83/19/10/774831910.db2.gz	JKTSSTBDMBCKRF-ULQDDVLXSA-N	1	0	365.518	1.888	20	30		FDEDRO
[NH2+]=C(NC[C@@H]1CCCO1)NCC1(c2ccc3c(c2)OCO3)CCOCC1	ZINC000261716780	774886318	/nfs/dbraw/zinc/88/63/18/774886318.db2.gz	FJGWDBIGBASBCT-HNNXBMFYSA-N	1	0	361.442	1.547	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1	ZINC001104320944	774931935	/nfs/dbraw/zinc/93/19/35/774931935.db2.gz	LPSGFLQRPXFUCM-ATZDWAIDSA-N	1	0	368.481	1.659	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H](C[NH2+][C@H]2CCCN(C)C2=O)C1	ZINC001087143543	775203000	/nfs/dbraw/zinc/20/30/00/775203000.db2.gz	FXCYRDJJSNVSOE-KBMXLJTQSA-N	1	0	357.458	1.337	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H](C[NH2+]C[C@@H]2CCNC(=O)CC2)C1	ZINC001087144085	775228533	/nfs/dbraw/zinc/22/85/33/775228533.db2.gz	XXMNDXQBFYZMOQ-VYDXJSESSA-N	1	0	371.485	1.633	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1nc(C)n(-c3nc[nH]n3)n1)C2	ZINC001112503256	776102030	/nfs/dbraw/zinc/10/20/30/776102030.db2.gz	GYTKURNJFSVKTL-KSSFIOAISA-N	1	0	370.461	1.102	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c(C)[nH]c(=O)[nH]c1=O)C2	ZINC001112503289	776103755	/nfs/dbraw/zinc/10/37/55/776103755.db2.gz	IMOFLXQKDSBONE-LIRRHRJNSA-N	1	0	360.458	1.533	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@@](C)(C=C)CC)C[C@H]32)CC1	ZINC001021884200	776498250	/nfs/dbraw/zinc/49/82/50/776498250.db2.gz	UKNGUAZGSURQCX-JQVVWYNYSA-N	1	0	371.525	1.993	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)Cc4ccoc4)C[C@H]32)CC1	ZINC001021884291	776498753	/nfs/dbraw/zinc/49/87/53/776498753.db2.gz	VXGVHYAATCHEOC-RBUKOAKNSA-N	1	0	369.465	1.227	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C[C@H](C)C4CC4)C[C@H]32)CC1	ZINC001021886662	776501688	/nfs/dbraw/zinc/50/16/88/776501688.db2.gz	LEWXZNZEEORZDQ-FFZOFVMBSA-N	1	0	371.525	1.827	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)F)C[C@H]1c1ccccc1	ZINC001211515219	776971542	/nfs/dbraw/zinc/97/15/42/776971542.db2.gz	OOOXIIYFKANFMB-HYVNUMGLSA-N	1	0	359.445	1.457	20	30		FDEDRO
CC[NH+]=C(NC[C@@]1(O)CCc2ccccc21)N1CCN(C(=O)C(C)C)CC1	ZINC000261928520	777393577	/nfs/dbraw/zinc/39/35/77/777393577.db2.gz	VYISWFXGYKCTDZ-NRFANRHFSA-N	1	0	372.513	1.586	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(C)c(=O)c2)C1	ZINC000971555228	777593008	/nfs/dbraw/zinc/59/30/08/777593008.db2.gz	AENVMCLUPVVGAJ-KSZLIROESA-N	1	0	359.470	1.399	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cccc(C(N)=O)c2)C1	ZINC000971555913	777607183	/nfs/dbraw/zinc/60/71/83/777607183.db2.gz	MMCZHFSJQYNACH-OTWHNJEPSA-N	1	0	371.481	1.799	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2cnn(C)n2)C1	ZINC001075423065	777823026	/nfs/dbraw/zinc/82/30/26/777823026.db2.gz	GWMFTRHRNRDCRB-NVXWUHKLSA-N	1	0	355.417	1.423	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2cn(CC)nn2)C1	ZINC001075423031	777826432	/nfs/dbraw/zinc/82/64/32/777826432.db2.gz	DRLNERQHGUHFMA-SJLPKXTDSA-N	1	0	369.444	1.906	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)nnn3C)C1	ZINC001022100084	777921805	/nfs/dbraw/zinc/92/18/05/777921805.db2.gz	YNJAPUKQEHJRAC-OLMMMNRUSA-N	1	0	369.469	1.686	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cn(C)nn2)[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001087161671	777991601	/nfs/dbraw/zinc/99/16/01/777991601.db2.gz	UUJYMYKQGTXNNR-PBHICJAKSA-N	1	0	352.442	1.717	20	30		FDEDRO
COc1ccc(C[C@](C)(CO)[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)cc1	ZINC000933424982	778101810	/nfs/dbraw/zinc/10/18/10/778101810.db2.gz	VZBOOTXMIAIEBR-WIYYLYMNSA-N	1	0	370.449	1.890	20	30		FDEDRO
COc1ccc(C[C@](C)(CO)[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)cc1	ZINC000933430296	778109601	/nfs/dbraw/zinc/10/96/01/778109601.db2.gz	MRRAVVVBLKOQKI-PKOBYXMFSA-N	1	0	362.470	1.650	20	30		FDEDRO
CC1(C)CC[C@H](CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)[NH2+]C1	ZINC000891497063	778144087	/nfs/dbraw/zinc/14/40/87/778144087.db2.gz	AOPLTXUQBKKLEJ-QGZVFWFLSA-N	1	0	370.501	1.999	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ncccc2CC)C[C@H]1C	ZINC001104370717	778235472	/nfs/dbraw/zinc/23/54/72/778235472.db2.gz	AOLFGGKPBXQQDT-SOLBZPMBSA-N	1	0	370.497	1.470	20	30		FDEDRO
C#CCN(C(=O)NC[C@@H]1CC[C@]2(CO[C@@H](C)[C@H]2C)O1)C1CC[NH+](C)CC1	ZINC000924051897	778320619	/nfs/dbraw/zinc/32/06/19/778320619.db2.gz	MTLOHAQHSHVRDY-NDUPCHFUSA-N	1	0	363.502	1.698	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)C[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)cn1	ZINC001022211259	778639908	/nfs/dbraw/zinc/63/99/08/778639908.db2.gz	PPEBYXNFAQCKBL-VDZJLULYSA-N	1	0	366.465	1.078	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)c4ocnc4C)[C@@H]3C2)CC1	ZINC000971691267	778697421	/nfs/dbraw/zinc/69/74/21/778697421.db2.gz	GONAYLCQBYGBCX-IAGOWNOFSA-N	1	0	370.453	1.001	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1	ZINC000971706014	778744412	/nfs/dbraw/zinc/74/44/12/778744412.db2.gz	NPGWWDJFDKECEI-BPQIPLTHSA-N	1	0	369.469	1.434	20	30		FDEDRO
CC(C)(C#N)CC(=O)OCC(=O)NCC1(N2CCOCC2)CCCCC1	ZINC000785078457	778976640	/nfs/dbraw/zinc/97/66/40/778976640.db2.gz	NNHXCJBBPHOZIC-UHFFFAOYSA-N	1	0	365.474	1.621	20	30		FDEDRO
CCCCCCCCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1	ZINC000891711927	779157117	/nfs/dbraw/zinc/15/71/17/779157117.db2.gz	OIFYKLMSXGDHRM-OAGGEKHMSA-N	1	0	352.479	1.923	20	30		FDEDRO
Cn1cc(C[NH2+]Cc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1C#N	ZINC000276724482	779157456	/nfs/dbraw/zinc/15/74/56/779157456.db2.gz	BTDZMNDROYVHKM-UHFFFAOYSA-N	1	0	351.454	1.574	20	30		FDEDRO
C[C@@H]1CCN(C(=O)Cn2nccn2)[C@H](C[NH2+]Cc2ccc(C#N)s2)C1	ZINC001087171494	779177095	/nfs/dbraw/zinc/17/70/95/779177095.db2.gz	PGRNDZQMMWSZFZ-KGLIPLIRSA-N	1	0	358.471	1.628	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)C[C@@H]4CC[N@@H+](C)C4)C[C@H]32)nc1	ZINC001022293616	779187791	/nfs/dbraw/zinc/18/77/91/779187791.db2.gz	YIUUWFKASJKHQC-JENIJYKNSA-N	1	0	366.465	1.078	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3[nH]ncc3Br)[C@H]2C1	ZINC001083225958	779443502	/nfs/dbraw/zinc/44/35/02/779443502.db2.gz	XYTCWQBFSPALMW-QWHCGFSZSA-N	1	0	369.263	1.664	20	30		FDEDRO
CC(C)(CNC(=O)C(=O)N1CCc2ccc(C#N)cc21)C[NH+]1CCCC1	ZINC000276791657	779592294	/nfs/dbraw/zinc/59/22/94/779592294.db2.gz	PEVCDIZBINMVDM-UHFFFAOYSA-N	1	0	354.454	1.686	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1C	ZINC001104384054	779701452	/nfs/dbraw/zinc/70/14/52/779701452.db2.gz	RDZLAYQCMQNFJU-IXDOHACOSA-N	1	0	350.507	1.831	20	30		FDEDRO
CC[N@@H+]1CCc2c(cccc2-n2nnc(C(=O)NC3=NO[C@@H](C)C3)c2C)C1	ZINC000376802428	790730531	/nfs/dbraw/zinc/73/05/31/790730531.db2.gz	AZDIFSZTXVENHS-LBPRGKRZSA-N	1	0	368.441	1.806	20	30		FDEDRO
[NH3+]C[C@H]1CN(C(=O)NCCOCC(F)(F)C(F)F)C[C@H]1C(F)(F)F	ZINC000891858457	779812001	/nfs/dbraw/zinc/81/20/01/779812001.db2.gz	QHVMQOHGWHBALK-JGVFFNPUSA-N	1	0	369.281	1.682	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCCOCC)C1	ZINC001112508046	780025625	/nfs/dbraw/zinc/02/56/25/780025625.db2.gz	KYEZAPDPNOUZBX-JXFKEZNVSA-N	1	0	365.518	1.570	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2snnc2C)C[C@H]1c1ccccc1	ZINC001211526665	780033514	/nfs/dbraw/zinc/03/35/14/780033514.db2.gz	PJHCVBYCJADGOW-DLBZAZTESA-N	1	0	370.478	1.694	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)no2)C[C@H]1c1ccccc1	ZINC001211526667	780033704	/nfs/dbraw/zinc/03/37/04/780033704.db2.gz	PKNBLJWWNIFEKR-ZWKOTPCHSA-N	1	0	353.422	1.831	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+][C@@H]2CCNC2=O)cc1	ZINC001087182513	780047190	/nfs/dbraw/zinc/04/71/90/780047190.db2.gz	BGMLWLJFHFFKQL-HHXXYDBFSA-N	1	0	371.481	1.970	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)s1	ZINC001022476018	780559951	/nfs/dbraw/zinc/55/99/51/780559951.db2.gz	QRHAZGKLJVPZPU-LVSLPLRBSA-N	1	0	361.467	1.408	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)CC1	ZINC000277027958	780672998	/nfs/dbraw/zinc/67/29/98/780672998.db2.gz	CFFAGLCPRMVXLZ-HNNXBMFYSA-N	1	0	361.417	1.719	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)CC1	ZINC000277027959	780673093	/nfs/dbraw/zinc/67/30/93/780673093.db2.gz	CFFAGLCPRMVXLZ-OAHLLOKOSA-N	1	0	361.417	1.719	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCC(C)C)C[C@H]1c1ccccc1	ZINC001211530168	780722174	/nfs/dbraw/zinc/72/21/74/780722174.db2.gz	OFMMXWFXAVNIEC-RBUKOAKNSA-N	1	0	355.482	1.756	20	30		FDEDRO
CC1CC[NH+](CC(=O)N2CC[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]32)CC1	ZINC001022516443	780908338	/nfs/dbraw/zinc/90/83/38/780908338.db2.gz	RAVAHMZAAISQRP-MAUKXSAKSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CCS(=O)(=O)C2)C[C@H]1C	ZINC001104396134	781127026	/nfs/dbraw/zinc/12/70/26/781127026.db2.gz	BFRMSRZWZIPTEU-BPLDGKMQSA-N	1	0	362.923	1.638	20	30		FDEDRO
C=CCCn1cc(C[NH2+]C[C@H](c2cccs2)N2CCN(C)CC2)nn1	ZINC000657285353	781451461	/nfs/dbraw/zinc/45/14/61/781451461.db2.gz	AASDNCCOJYPSST-QGZVFWFLSA-N	1	0	360.531	1.994	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)Cn2ncc3cc(C)cnc32)C[C@H]1C	ZINC001104424491	783305646	/nfs/dbraw/zinc/30/56/46/783305646.db2.gz	HBEHOMQHQVVPLB-IAGOWNOFSA-N	1	0	353.470	1.837	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)CCCN(C)C(=O)C[NH+]1CCCC1	ZINC001067466902	783607813	/nfs/dbraw/zinc/60/78/13/783607813.db2.gz	LEBFRWMRCHILMR-SJORKVTESA-N	1	0	351.491	1.370	20	30		FDEDRO
N#Cc1ccccc1N1CCC(NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1	ZINC000892428847	783805869	/nfs/dbraw/zinc/80/58/69/783805869.db2.gz	MRLQTRVEXCJXFX-AEFFLSMTSA-N	1	0	353.470	1.920	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21	ZINC000972846223	783931126	/nfs/dbraw/zinc/93/11/26/783931126.db2.gz	JVVCSDHUXUTHPN-ZTFGCOKTSA-N	1	0	369.469	1.434	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N(CC)[C@@H]2CC[N@H+](C)C2)cc1	ZINC000658364041	783966620	/nfs/dbraw/zinc/96/66/20/783966620.db2.gz	XWQKOXSHKIDTPS-MRXNPFEDSA-N	1	0	373.457	1.485	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1C#N	ZINC001024157714	784031632	/nfs/dbraw/zinc/03/16/32/784031632.db2.gz	GJESRIZVXHDEEE-UAGQMJEPSA-N	1	0	370.453	1.016	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C[C@H]2O)C1	ZINC001025542146	790996982	/nfs/dbraw/zinc/99/69/82/790996982.db2.gz	LBIHINCAFGCDGS-BRWVUGGUSA-N	1	0	363.502	1.009	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2nnc(C3CC3)[nH]2)C1	ZINC001024165974	784176831	/nfs/dbraw/zinc/17/68/31/784176831.db2.gz	ZJZNQKNNYXIREG-IMJJTQAJSA-N	1	0	359.474	1.601	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(=O)NC)C1	ZINC001112520729	784215122	/nfs/dbraw/zinc/21/51/22/784215122.db2.gz	UVUGCFUMPMUTNP-KSSFIOAISA-N	1	0	350.463	1.017	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCCCOC)C1	ZINC001112520504	784242034	/nfs/dbraw/zinc/24/20/34/784242034.db2.gz	IBRMHUACJKDWET-PXNSSMCTSA-N	1	0	365.518	1.714	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC000658591816	784560373	/nfs/dbraw/zinc/56/03/73/784560373.db2.gz	AZCSDYCAOSQILT-QGZVFWFLSA-N	1	0	351.491	1.249	20	30		FDEDRO
C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCO[C@H]1c1cnn(C)c1	ZINC001024488032	784880264	/nfs/dbraw/zinc/88/02/64/784880264.db2.gz	UUZZNXPOKHABEH-OTWHNJEPSA-N	1	0	358.486	1.882	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cc1	ZINC000364337395	784957359	/nfs/dbraw/zinc/95/73/59/784957359.db2.gz	NAGFODISOXGNND-WBVHZDCISA-N	1	0	371.397	1.740	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000364517767	785086119	/nfs/dbraw/zinc/08/61/19/785086119.db2.gz	KZMKGBBCCHVZCV-CCKFTAQKSA-N	1	0	366.465	1.648	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(C)s4)[C@@H]3C2)C1=O	ZINC001075496614	785220892	/nfs/dbraw/zinc/22/08/92/785220892.db2.gz	DOFCBIBMQKKTOM-ARFHVFGLSA-N	1	0	359.495	1.990	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1	ZINC000658809547	785466939	/nfs/dbraw/zinc/46/69/39/785466939.db2.gz	CAGGYLZEMWRPDQ-DLBZAZTESA-N	1	0	351.491	1.370	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCN1CCCC1=O	ZINC001024701403	785779924	/nfs/dbraw/zinc/77/99/24/785779924.db2.gz	BRKNEUJEBCGCOJ-LNLFQRSKSA-N	1	0	363.502	1.561	20	30		FDEDRO
COC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(C#N)n(C)c2)CN1C(=O)OC(C)(C)C	ZINC000376081872	785809621	/nfs/dbraw/zinc/80/96/21/785809621.db2.gz	MNIQISHYJZPETG-DZGCQCFKSA-N	1	0	362.430	1.537	20	30		FDEDRO
CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000659093323	785866016	/nfs/dbraw/zinc/86/60/16/785866016.db2.gz	MSOMWNHJPPVQEG-UHFFFAOYSA-N	1	0	350.422	1.616	20	30		FDEDRO
CC(C)[C@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC#N)C1	ZINC001211682158	805657842	/nfs/dbraw/zinc/65/78/42/805657842.db2.gz	MNKQRUBUNNRDOQ-RYQLBKOJSA-N	1	0	356.470	1.502	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4CC[C@@H](C(N)=O)C4)[C@@H]3C2)c1	ZINC000978709172	805683215	/nfs/dbraw/zinc/68/32/15/805683215.db2.gz	LPAXUCOMMRZYIR-ZRSRNVLSSA-N	1	0	366.465	1.254	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCc3cnn(CC)c3)C[C@H]21	ZINC000978709649	805684325	/nfs/dbraw/zinc/68/43/25/805684325.db2.gz	BHAKJDOLNBJQKY-QQXKLLMISA-N	1	0	358.486	1.331	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cccnc3OC)C[C@H]21	ZINC000978715279	805706205	/nfs/dbraw/zinc/70/62/05/805706205.db2.gz	HXEQTIXNBSWGAN-DZVNLGKHSA-N	1	0	357.454	1.475	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)NCC#C[C@H]3CCCCO3)CC2)CC1	ZINC000892522078	786726782	/nfs/dbraw/zinc/72/67/82/786726782.db2.gz	OTQWTHQFSOLBSE-LJQANCHMSA-N	1	0	362.518	1.417	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccccc4C)[C@@H]3C2)C1=O	ZINC001075506439	786855709	/nfs/dbraw/zinc/85/57/09/786855709.db2.gz	JFWDVGQCZZFXFM-YTQUADARSA-N	1	0	353.466	1.928	20	30		FDEDRO
C[C@@H](CCNC(=O)N1CCC(n2cnc(C#N)n2)CC1)[NH+]1CCCCC1	ZINC000376308280	787213492	/nfs/dbraw/zinc/21/34/92/787213492.db2.gz	RWLOQFGQYWQJFM-HNNXBMFYSA-N	1	0	359.478	1.761	20	30		FDEDRO
COc1ccc([C@H]2[C@@H](CNC(=O)NCC(=O)NCC#N)CCC[N@@H+]2C)cc1	ZINC000376316497	787254213	/nfs/dbraw/zinc/25/42/13/787254213.db2.gz	MDVMXADGCWUXQF-QAPCUYQASA-N	1	0	373.457	1.017	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)n1	ZINC000892594028	787547771	/nfs/dbraw/zinc/54/77/71/787547771.db2.gz	PJGQGTTZQGOZQS-MUJYYYPQSA-N	1	0	354.458	1.315	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2nc(C(N)=O)no2)CC1	ZINC000376396715	787587578	/nfs/dbraw/zinc/58/75/78/787587578.db2.gz	ITOSQVFPQJIFQI-CYBMUJFWSA-N	1	0	362.434	1.056	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C	ZINC000249124443	787649595	/nfs/dbraw/zinc/64/95/95/787649595.db2.gz	CERVYRODTFCFJG-DOTOQJQBSA-N	1	0	357.454	1.826	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC2([NH3+])CCCC2)cc1	ZINC000658986248	787721896	/nfs/dbraw/zinc/72/18/96/787721896.db2.gz	ZRSUYPLESILXIY-UHFFFAOYSA-N	1	0	366.487	1.886	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2C(=O)CCC2=O)C1	ZINC001104553946	787768771	/nfs/dbraw/zinc/76/87/71/787768771.db2.gz	JNKSOWGHHXMNBU-IAGOWNOFSA-N	1	0	361.486	1.403	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001025083672	787771797	/nfs/dbraw/zinc/77/17/97/787771797.db2.gz	FUYMFEFHHGBORI-QRVBRYPASA-N	1	0	368.481	1.753	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCOCC)C1	ZINC001104563894	787933900	/nfs/dbraw/zinc/93/39/00/787933900.db2.gz	YGQZXQKLVHHNHB-KZNAEPCWSA-N	1	0	367.534	1.816	20	30		FDEDRO
C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1OCC#N)C1=CC[N@H+](C)CC1	ZINC000785320550	805837085	/nfs/dbraw/zinc/83/70/85/805837085.db2.gz	KDEKKHVGRTVWJS-LBPRGKRZSA-N	1	0	360.389	1.433	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1	ZINC001025176842	788191622	/nfs/dbraw/zinc/19/16/22/788191622.db2.gz	BCEQYRUOFORLQD-GVDBMIGSSA-N	1	0	363.502	1.153	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC2CC(OCC)C2)C[C@H]1C	ZINC001104573493	788202997	/nfs/dbraw/zinc/20/29/97/788202997.db2.gz	WJIXHYMCJLKKDA-RZZCCWGQSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=C(Br)CN1C[C@@H]2CCN(C(=O)c3cc[n+]([O-])cc3)[C@@H]2C1	ZINC001075517298	788278797	/nfs/dbraw/zinc/27/87/97/788278797.db2.gz	WCHGXNNJPQWUKG-UONOGXRCSA-N	1	0	352.232	1.375	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1	ZINC001025292562	788441257	/nfs/dbraw/zinc/44/12/57/788441257.db2.gz	WNMFROKSRPXPQP-GPMSIDNRSA-N	1	0	351.491	1.009	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1	ZINC000973317444	788540599	/nfs/dbraw/zinc/54/05/99/788540599.db2.gz	RIQSYKKLVZHIDV-RXYDEIHYSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000973321753	788579094	/nfs/dbraw/zinc/57/90/94/788579094.db2.gz	AYUSZOVSBDALST-LAQRGFTBSA-N	1	0	368.437	1.693	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2Cc3ccccc32)C[C@H]1C	ZINC001104605396	788830051	/nfs/dbraw/zinc/83/00/51/788830051.db2.gz	NGQGZSFUZNDRFV-SUMDDJOVSA-N	1	0	355.482	1.703	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCOCC2)C[C@H]1c1ccccc1	ZINC001211687918	805914044	/nfs/dbraw/zinc/91/40/44/805914044.db2.gz	GXIHCKNNFMDOBD-VQTJNVASSA-N	1	0	369.509	1.705	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C3CC3)C2)c1	ZINC001104659812	789209747	/nfs/dbraw/zinc/20/97/47/789209747.db2.gz	UXPRNQZXGOHOJP-NVXWUHKLSA-N	1	0	368.481	1.372	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)Cn2nnc3c2CCCC3)C[C@H]1C	ZINC001104689682	789429761	/nfs/dbraw/zinc/42/97/61/789429761.db2.gz	YOCPCPSEBNECJG-UKRRQHHQSA-N	1	0	365.909	1.984	20	30		FDEDRO
C=CCCC1(CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)CCCC1	ZINC000659716755	789543618	/nfs/dbraw/zinc/54/36/18/789543618.db2.gz	CKJPURYRWHNHIE-HUUCEWRRSA-N	1	0	351.491	1.858	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)N2CCC[C@H]([NH2+]Cc3ccccc3)C2)n1	ZINC000377226521	791312220	/nfs/dbraw/zinc/31/22/20/791312220.db2.gz	WPSJNGOWYJDYDZ-INIZCTEOSA-N	1	0	353.430	1.114	20	30		FDEDRO
C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)NCCn1cnc(C#N)n1	ZINC000377249737	791353218	/nfs/dbraw/zinc/35/32/18/791353218.db2.gz	NULALFRUMKHDEF-MRXNPFEDSA-N	1	0	367.457	1.456	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)Nc1ccc(OCC[NH3+])cc1	ZINC000415159094	791532822	/nfs/dbraw/zinc/53/28/22/791532822.db2.gz	GJBSWXJGNXOLPS-UHFFFAOYSA-N	1	0	357.410	1.813	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCC1([NH3+])CCCCC1	ZINC000415282482	791828404	/nfs/dbraw/zinc/82/84/04/791828404.db2.gz	QFQQOXLHDJOFLE-UHFFFAOYSA-N	1	0	374.441	1.300	20	30		FDEDRO
CCCc1c(NC(=O)C(=O)NCCC[NH3+])cnn1-c1cccc(C#N)c1	ZINC000415290762	791856653	/nfs/dbraw/zinc/85/66/53/791856653.db2.gz	HVVBFKZTEWWFKG-UHFFFAOYSA-N	1	0	354.414	1.100	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)cc1	ZINC000415298307	791874988	/nfs/dbraw/zinc/87/49/88/791874988.db2.gz	GJLWMLDRKGAIJQ-QGZVFWFLSA-N	1	0	370.453	1.308	20	30		FDEDRO
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@H]1CC[NH2+]C1	ZINC000415333290	791938841	/nfs/dbraw/zinc/93/88/41/791938841.db2.gz	RDVMGPUKYAMETP-AWEZNQCLSA-N	1	0	365.393	1.471	20	30		FDEDRO
C=C[C@H](CO)[NH2+]CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	ZINC000852714414	792012235	/nfs/dbraw/zinc/01/22/35/792012235.db2.gz	OGYUJMNJPAIPNB-IIAWOOMASA-N	1	0	365.449	1.192	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1	ZINC000415458660	792303946	/nfs/dbraw/zinc/30/39/46/792303946.db2.gz	YRORNBRKARLNQT-DZGCQCFKSA-N	1	0	374.441	1.108	20	30		FDEDRO
CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N	ZINC000415462773	792309443	/nfs/dbraw/zinc/30/94/43/792309443.db2.gz	PXCNHPXESNAQJJ-AWEZNQCLSA-N	1	0	367.409	1.784	20	30		FDEDRO
N#Cc1cc(Oc2ccc(NC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)cc2)ccn1	ZINC000415539541	792473283	/nfs/dbraw/zinc/47/32/83/792473283.db2.gz	MMMPMNWNCXJNIX-QGZVFWFLSA-N	1	0	365.393	1.538	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1	ZINC000415584067	792587886	/nfs/dbraw/zinc/58/78/86/792587886.db2.gz	SBZFSZYTGOXJLZ-SOUVJXGZSA-N	1	0	356.426	1.481	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)cc1	ZINC000415581672	792597364	/nfs/dbraw/zinc/59/73/64/792597364.db2.gz	NXZSDHHNFWKJFD-LJQANCHMSA-N	1	0	373.457	1.439	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1	ZINC000415583207	792615523	/nfs/dbraw/zinc/61/55/23/792615523.db2.gz	QOCRSULIGLDIFJ-USXIJHARSA-N	1	0	370.453	1.127	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1	ZINC000415609267	792687005	/nfs/dbraw/zinc/68/70/05/792687005.db2.gz	VNZDWFMIJKPVSV-IBGZPJMESA-N	1	0	356.426	1.520	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)cc1	ZINC000415669387	792780761	/nfs/dbraw/zinc/78/07/61/792780761.db2.gz	BQFNITBFKOEGRC-MRXNPFEDSA-N	1	0	372.469	1.435	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)cc1	ZINC000415674140	792785325	/nfs/dbraw/zinc/78/53/25/792785325.db2.gz	HKRYQFBOYGZOEI-AWEZNQCLSA-N	1	0	358.442	1.128	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1C#N	ZINC000415738045	792902670	/nfs/dbraw/zinc/90/26/70/792902670.db2.gz	DGKCHUJMHXLHKS-HIFRSBDPSA-N	1	0	356.426	1.352	20	30		FDEDRO
O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1	ZINC000415751099	792909987	/nfs/dbraw/zinc/90/99/87/792909987.db2.gz	VOYWIEXIIXLEQB-ROUUACIJSA-N	1	0	374.444	1.488	20	30		FDEDRO
C[C@@]1(F)CNCCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000415779029	792976231	/nfs/dbraw/zinc/97/62/31/792976231.db2.gz	IUFAUFHVHJETKX-OAHLLOKOSA-N	1	0	372.322	1.676	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@H](C)c2cccnc2)C[C@H]1C	ZINC001104752536	793068409	/nfs/dbraw/zinc/06/84/09/793068409.db2.gz	GLSPFZUQWNQGHJ-YQVWRLOYSA-N	1	0	370.497	1.399	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@H]1C[NH3+]	ZINC000415837959	793106987	/nfs/dbraw/zinc/10/69/87/793106987.db2.gz	CZEIKWVSKBKSKR-ZYHUDNBSSA-N	1	0	366.368	1.541	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1	ZINC000415875795	793255192	/nfs/dbraw/zinc/25/51/92/793255192.db2.gz	ZRMBLXRDTZIOHO-RRFJBIMHSA-N	1	0	356.426	1.400	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCOC2(C[NH2+]C2)C1	ZINC000415884101	793291332	/nfs/dbraw/zinc/29/13/32/793291332.db2.gz	CPLFVDOLFQWEDA-CYBMUJFWSA-N	1	0	374.466	1.078	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1	ZINC000979328345	806240382	/nfs/dbraw/zinc/24/03/82/806240382.db2.gz	QZWJTMYOQHYGAR-ILOCAZANSA-N	1	0	363.502	1.461	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cncc(N3CCCC3)n2)C[C@H]1C	ZINC001104756603	793455668	/nfs/dbraw/zinc/45/56/68/793455668.db2.gz	ATIZDVATTAQZRR-IAGOWNOFSA-N	1	0	355.486	1.788	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](CC)C(N)=O)C2)cc1	ZINC001104767806	793549970	/nfs/dbraw/zinc/54/99/70/793549970.db2.gz	DHPIXTHHJOQBKW-SZVBFZGTSA-N	1	0	371.481	1.650	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnon3)C2)nn1	ZINC001104777574	793600092	/nfs/dbraw/zinc/60/00/92/793600092.db2.gz	QOLHMDKJNFIYRP-ZIAGYGMSSA-N	1	0	359.434	1.125	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)CCNC(=O)C2CCC2)C[C@H]1C	ZINC001104784396	793639203	/nfs/dbraw/zinc/63/92/03/793639203.db2.gz	MMYJCLMPEZZLOA-SJLPKXTDSA-N	1	0	363.502	1.017	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1CC[NH2+]Cc1cc(F)ccc1C#N	ZINC001104791051	793688755	/nfs/dbraw/zinc/68/87/55/793688755.db2.gz	MDTQKEMOKWCXIF-UKRRQHHQSA-N	1	0	370.432	1.714	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)c2cn3nc(C)cc3[nH]c2=O)C[C@H]1C	ZINC001104792308	793696460	/nfs/dbraw/zinc/69/64/60/793696460.db2.gz	OOYOIYULPUWNDF-GDBMZVCRSA-N	1	0	371.485	1.985	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)C#Cc1ccc2c(c1)OCO2	ZINC000378220349	793747383	/nfs/dbraw/zinc/74/73/83/793747383.db2.gz	KBHSDYQEFHZCSE-NUJGCVRESA-N	1	0	356.422	1.477	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCc2cccnc2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104846726	794045904	/nfs/dbraw/zinc/04/59/04/794045904.db2.gz	HEQBBFBKAFVFGJ-SJLPKXTDSA-N	1	0	371.485	1.118	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cccc(-n3cncn3)n2)C[C@H]1C	ZINC001104853484	794079875	/nfs/dbraw/zinc/07/98/75/794079875.db2.gz	FQDJTTHDEQGSPR-HZPDHXFCSA-N	1	0	352.442	1.373	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]cc2C2CC2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104853835	794081280	/nfs/dbraw/zinc/08/12/80/794081280.db2.gz	OOYIBTQJWLAXFP-UKRRQHHQSA-N	1	0	357.458	1.220	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)CCc2nc3cc[nH]cc-3n2)C[C@H]1C	ZINC001104882367	794196425	/nfs/dbraw/zinc/19/64/25/794196425.db2.gz	WJWJXYKSYRSGNZ-HZPDHXFCSA-N	1	0	353.470	1.988	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CNC(=O)CCC)C[C@H]1C(F)(F)F	ZINC001112061340	794272443	/nfs/dbraw/zinc/27/24/43/794272443.db2.gz	UJSZJSKHZINHFS-CHWSQXEVSA-N	1	0	365.396	1.084	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCNC(=O)C3CC3)C2)nc1	ZINC001104923913	794419811	/nfs/dbraw/zinc/41/98/11/794419811.db2.gz	CXVBYNRDWDLVLP-CRAIPNDOSA-N	1	0	368.481	1.277	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cc(C)n(C)n3)C2)nc1	ZINC001104924346	794420566	/nfs/dbraw/zinc/42/05/66/794420566.db2.gz	LDWQXVTVSBVINB-CRAIPNDOSA-N	1	0	365.481	1.993	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCC2CC2)C[C@H]1C(F)(F)F	ZINC001112064369	794428046	/nfs/dbraw/zinc/42/80/46/794428046.db2.gz	AJUQMZSSBFKJDS-NWANDNLSSA-N	1	0	364.408	1.983	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnn(C)n2)C1	ZINC001104954543	794552558	/nfs/dbraw/zinc/55/25/58/794552558.db2.gz	HBJSDAJAHFDIGK-VQIMIIECSA-N	1	0	365.481	1.613	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CN(C(C)=O)CCO2)C[C@H]1C	ZINC001104966892	794608259	/nfs/dbraw/zinc/60/82/59/794608259.db2.gz	JORPDHUDXDOKFW-NXHRZFHOSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H]2CCCCO2)C1	ZINC001112068762	794699187	/nfs/dbraw/zinc/69/91/87/794699187.db2.gz	ORTBOBRPKMRZBJ-BFHYXJOUSA-N	1	0	350.381	1.737	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1CC[NH2+]Cc1ccccc1C#N	ZINC001104990290	794741221	/nfs/dbraw/zinc/74/12/21/794741221.db2.gz	QOSWMJSXTCCAPK-RHSMWYFYSA-N	1	0	357.458	1.191	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](CN(C)c3ccnc(C#N)n3)C2)CC[N@@H+]1C	ZINC001058708564	794770740	/nfs/dbraw/zinc/77/07/40/794770740.db2.gz	PCCVQZIXCXUULW-YESZJQIVSA-N	1	0	370.501	1.753	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CN(C)c3ccc(C#N)nc3)C2)CC[N@@H+]1C	ZINC001058708664	794774671	/nfs/dbraw/zinc/77/46/71/794774671.db2.gz	RIBHJSPHXOQNSI-JTDSTZFVSA-N	1	0	355.486	1.968	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cn(C)nc2C(C)C)C[C@H]1C	ZINC001105007719	794890827	/nfs/dbraw/zinc/89/08/27/794890827.db2.gz	UZHPYOQWEUXDKD-IAGOWNOFSA-N	1	0	360.502	1.881	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1CC[NH2+][C@@H]1CCN(C)C1=O	ZINC001105045305	795046049	/nfs/dbraw/zinc/04/60/49/795046049.db2.gz	RMLMHBRFLRFULN-MISYRCLQSA-N	1	0	367.493	1.733	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCOC)C1	ZINC001105064248	795109562	/nfs/dbraw/zinc/10/95/62/795109562.db2.gz	FRCLNRNNAWQWSB-HZPDHXFCSA-N	1	0	368.522	1.361	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCCC2(C)C)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001105082666	795179268	/nfs/dbraw/zinc/17/92/68/795179268.db2.gz	MPHZAGMJKYVMOW-BRWVUGGUSA-N	1	0	362.518	1.917	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccncn2)C[C@H]1c1ccccc1	ZINC001211692663	806397755	/nfs/dbraw/zinc/39/77/55/806397755.db2.gz	FAGFNVNIVZADIY-PKOBYXMFSA-N	1	0	352.438	1.877	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](CCCC)C(N)=O)C1	ZINC001105089957	795232338	/nfs/dbraw/zinc/23/23/38/795232338.db2.gz	CNVXJRMRZJLXBX-BRWVUGGUSA-N	1	0	353.507	1.697	20	30		FDEDRO
Cn1c(-c2ncccn2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000417467494	795241894	/nfs/dbraw/zinc/24/18/94/795241894.db2.gz	UNKZDKUGUPLQJB-UHFFFAOYSA-N	1	0	374.452	1.856	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000979664748	806400737	/nfs/dbraw/zinc/40/07/37/806400737.db2.gz	MAWCDSDBJIHCEN-ZFZWDLNGSA-N	1	0	357.458	1.241	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC(C)C)C(N)=O)C[C@H]1C	ZINC001105114251	795328155	/nfs/dbraw/zinc/32/81/55/795328155.db2.gz	LXEGLYXXRYUJGY-BRWVUGGUSA-N	1	0	353.507	1.411	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC23CCOCC3)C[C@H]1C	ZINC001105118099	795338761	/nfs/dbraw/zinc/33/87/61/795338761.db2.gz	CXASXPALISFIQJ-ZACQAIPSSA-N	1	0	363.502	1.180	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CCCF)C[C@H]1c1ccccc1	ZINC001211653674	795345628	/nfs/dbraw/zinc/34/56/28/795345628.db2.gz	UHZNWGYTJIEWLB-RYQLBKOJSA-N	1	0	359.445	1.458	20	30		FDEDRO
CCC(CC)C(=O)NCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C1	ZINC001105125508	795364428	/nfs/dbraw/zinc/36/44/28/795364428.db2.gz	QHDBGINTHGXFQL-SJLPKXTDSA-N	1	0	365.518	1.263	20	30		FDEDRO
CCC[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000417991302	795446795	/nfs/dbraw/zinc/44/67/95/795446795.db2.gz	KIHIEXYTMBGEEW-ZWKOTPCHSA-N	1	0	369.469	1.837	20	30		FDEDRO
C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCO[C@H]3C(C)C)C2)nn1	ZINC001105243010	795532141	/nfs/dbraw/zinc/53/21/41/795532141.db2.gz	QVWLKMFDULNPHM-ROUUACIJSA-N	1	0	359.474	1.226	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC([NH2+]Cc2nnc(CC)n2C)CC1	ZINC001026563941	795557878	/nfs/dbraw/zinc/55/78/78/795557878.db2.gz	PKWGGZDPQWEAAU-FJBKBRRZSA-N	1	0	361.490	1.486	20	30		FDEDRO
N#Cc1cccc(CCNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])c1	ZINC000418155715	795582507	/nfs/dbraw/zinc/58/25/07/795582507.db2.gz	ZRPYVMTUEWUGLK-QGZVFWFLSA-N	1	0	357.458	1.130	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C[C@@H](O)COC)C1	ZINC001211655742	795757417	/nfs/dbraw/zinc/75/74/17/795757417.db2.gz	WMCZZNQQFPWGHX-HSALFYBXSA-N	1	0	358.482	1.772	20	30		FDEDRO
N#CCC1(CNC(=O)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)CC1	ZINC000429799794	795854879	/nfs/dbraw/zinc/85/48/79/795854879.db2.gz	GPQJVJGTPUKBAI-INIZCTEOSA-N	1	0	355.442	1.952	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]([NH3+])c1ccccc1	ZINC000418423155	795901342	/nfs/dbraw/zinc/90/13/42/795901342.db2.gz	FIVPKJXKOKPSAE-HOCLYGCPSA-N	1	0	365.441	1.268	20	30		FDEDRO
CCC[NH2+]CCNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000418474274	795972534	/nfs/dbraw/zinc/97/25/34/795972534.db2.gz	OHYOMKFIJYOBKL-UHFFFAOYSA-N	1	0	357.458	1.918	20	30		FDEDRO
C[C@H](CC[NH3+])NC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N	ZINC000418516027	796065082	/nfs/dbraw/zinc/06/50/82/796065082.db2.gz	CAAGXVLBBRFGTP-GFCCVEGCSA-N	1	0	373.436	1.434	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000979869374	806570686	/nfs/dbraw/zinc/57/06/86/806570686.db2.gz	BNIBVHZSNOTNJV-YCEFEEMOSA-N	1	0	353.466	1.633	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC000979873280	806573620	/nfs/dbraw/zinc/57/36/20/806573620.db2.gz	NQCKATFMUCKJMM-MOIQIXESSA-N	1	0	354.454	1.028	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCN1Cc1ccc(C(=O)NC)cc1	ZINC001038808103	806583178	/nfs/dbraw/zinc/58/31/78/806583178.db2.gz	ORYCOXVJQSXJQD-QYZOEREBSA-N	1	0	371.481	1.718	20	30		FDEDRO
C=CC[C@]1(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)CCC[NH2+]1	ZINC000662464468	806692086	/nfs/dbraw/zinc/69/20/86/806692086.db2.gz	HCCBDSYFNQOCNW-MRXNPFEDSA-N	1	0	371.890	1.433	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nc1	ZINC000980080806	806739410	/nfs/dbraw/zinc/73/94/10/806739410.db2.gz	IJTGICBQYYZSJM-LSTDLKDCSA-N	1	0	368.481	1.418	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000980108421	806764232	/nfs/dbraw/zinc/76/42/32/806764232.db2.gz	WALNHTYHADLAPG-YCEFEEMOSA-N	1	0	353.466	1.633	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]C[C@@H](O)COC)C2)CC1	ZINC001112523173	799802720	/nfs/dbraw/zinc/80/27/20/799802720.db2.gz	GOBKDGZUAMHVDB-NSHGMRRFSA-N	1	0	350.503	1.958	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@@H]3CN(C(=O)C45CCC[NH+]4CCC5)[C@@H]3C2)c[nH]1	ZINC000974565384	799821550	/nfs/dbraw/zinc/82/15/50/799821550.db2.gz	NBXQKKPABRAYPW-RHSMWYFYSA-N	1	0	367.453	1.188	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1	ZINC000974572223	799845501	/nfs/dbraw/zinc/84/55/01/799845501.db2.gz	RJSMZKLYUBWUHV-TVFCKZIOSA-N	1	0	373.497	1.265	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ncnn2CCC)C1	ZINC001026850324	799991379	/nfs/dbraw/zinc/99/13/79/799991379.db2.gz	SELFHMCTVHVECC-BBWFWOEESA-N	1	0	361.490	1.607	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3C#N)C2)C1	ZINC001026851048	799996261	/nfs/dbraw/zinc/99/62/61/799996261.db2.gz	IQWFDDOSLDIBCN-RVKKMQEKSA-N	1	0	354.454	1.411	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]32)cn1	ZINC000974670153	800027358	/nfs/dbraw/zinc/02/73/58/800027358.db2.gz	MNCPPKNXGCDWSU-QRQLOZEOSA-N	1	0	368.481	1.322	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)C[N@@H+](C)C4CCC4)C[C@H]32)cn1	ZINC000974671340	800040578	/nfs/dbraw/zinc/04/05/78/800040578.db2.gz	RHBYJNBQXSPPOG-VQIMIIECSA-N	1	0	366.465	1.220	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CCCC[N@H+]4C)C[C@H]32)cn1	ZINC000974671981	800042445	/nfs/dbraw/zinc/04/24/45/800042445.db2.gz	UXDYDPYEINDLQK-BHIYHBOVSA-N	1	0	366.465	1.220	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]3C2)c1	ZINC000974690117	800093056	/nfs/dbraw/zinc/09/30/56/800093056.db2.gz	NZBKGAUQNAVGTA-BHIYHBOVSA-N	1	0	368.481	1.322	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCCN1CCCC1=O	ZINC001027888337	806821881	/nfs/dbraw/zinc/82/18/81/806821881.db2.gz	MKYMSKVADATXGY-KURKYZTESA-N	1	0	363.502	1.561	20	30		FDEDRO
N#Cc1ccccc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC001026963950	800351138	/nfs/dbraw/zinc/35/11/38/800351138.db2.gz	ZJEISRHBSONVDE-IBSXHGQTSA-N	1	0	351.450	1.920	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)cc(N(C)C)c2)CC1	ZINC000651558786	800403872	/nfs/dbraw/zinc/40/38/72/800403872.db2.gz	BPFDHFSQJQJKCG-UHFFFAOYSA-N	1	0	362.449	1.987	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)CCC[NH2+]1	ZINC000662534327	806832479	/nfs/dbraw/zinc/83/24/79/806832479.db2.gz	KFYPNESADGPHKL-NQIIRXRSSA-N	1	0	371.481	1.910	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C(C)(C)C1	ZINC000975029001	800783285	/nfs/dbraw/zinc/78/32/85/800783285.db2.gz	HJUFDUYZHKUCQR-GVDBMIGSSA-N	1	0	361.486	1.006	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4C[NH+]5CCC4CC5)C[C@H]32)C1	ZINC000975056642	800798660	/nfs/dbraw/zinc/79/86/60/800798660.db2.gz	IFRYSRUBJXMBAD-FGTMMUONSA-N	1	0	357.498	1.744	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ncnn2CC(C)C)C1	ZINC001027074977	800886738	/nfs/dbraw/zinc/88/67/38/800886738.db2.gz	KGWINLDBFVMORJ-ZACQAIPSSA-N	1	0	361.490	1.463	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nc(CCCC)no2)C1	ZINC001027074791	800886859	/nfs/dbraw/zinc/88/68/59/800886859.db2.gz	GIMWLASTCXYDEX-OAGGEKHMSA-N	1	0	362.474	1.941	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnnn2CCC)C1	ZINC001027116875	801012969	/nfs/dbraw/zinc/01/29/69/801012969.db2.gz	KZYFDDTUXMZXHM-ZOBUZTSGSA-N	1	0	362.478	1.002	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cncc(OC)n2)C1	ZINC001027117267	801015186	/nfs/dbraw/zinc/01/51/86/801015186.db2.gz	ULXIXYUCPLBQRS-HFTRVMKXSA-N	1	0	360.458	1.405	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000975315339	801126971	/nfs/dbraw/zinc/12/69/71/801126971.db2.gz	DSVVTEFQQIRWJV-QILLFSRXSA-N	1	0	371.485	1.585	20	30		FDEDRO
C=CC[C@]1(C(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)CCC[NH2+]1	ZINC000662630659	806904109	/nfs/dbraw/zinc/90/41/09/806904109.db2.gz	MCHBJOLHCYXWLQ-OXQOHEQNSA-N	1	0	357.454	1.481	20	30		FDEDRO
C=CC[C@]1(C(=O)N(C)CCNS(=O)(=O)c2ccc(C)cc2)CCC[NH2+]1	ZINC000662637539	806914831	/nfs/dbraw/zinc/91/48/31/806914831.db2.gz	UFNUOLHAYDBLDY-GOSISDBHSA-N	1	0	365.499	1.430	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CCN(C(=O)[C@H]4CCC[N@H+]4C)C[C@@H]32)nc1	ZINC000975619778	801688735	/nfs/dbraw/zinc/68/87/35/801688735.db2.gz	GBLOCYCDZAJUKL-UHOSZYNNSA-N	1	0	366.465	1.220	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]32)C1	ZINC000975665131	801883988	/nfs/dbraw/zinc/88/39/88/801883988.db2.gz	OEDUINCHCQCYNR-VKJFTORMSA-N	1	0	369.469	1.291	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C1	ZINC000975699108	802052159	/nfs/dbraw/zinc/05/21/59/802052159.db2.gz	ZYPRXVJLAQSXRN-OTWHNJEPSA-N	1	0	355.482	1.191	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21	ZINC000975717638	802114939	/nfs/dbraw/zinc/11/49/39/802114939.db2.gz	MDZUDYZUMNCLHS-HKUYNNGSSA-N	1	0	370.497	1.833	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)[C@@H](F)CC)[C@H]3C2)CC1	ZINC000975754048	802207227	/nfs/dbraw/zinc/20/72/27/802207227.db2.gz	CLFVXKGTZNVWTB-SZMVWBNQSA-N	1	0	363.477	1.529	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)c4ccc[nH]4)[C@H]3C2)CC1	ZINC000975755379	802270860	/nfs/dbraw/zinc/27/08/60/802270860.db2.gz	XJYHXNBJHWZWRL-LPHOPBHVSA-N	1	0	368.481	1.423	20	30		FDEDRO
C[NH+](C)[C@@H](C(=O)N1CC[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@H]2C1)C1CC1	ZINC000975758821	802283202	/nfs/dbraw/zinc/28/32/02/802283202.db2.gz	OLWUOZFLOLNFBJ-DOPJRALCSA-N	1	0	369.469	1.290	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)N2CCC3(CC2)CC(=O)C=CO3)CCSC1	ZINC000893412988	802423877	/nfs/dbraw/zinc/42/38/77/802423877.db2.gz	RPKRKFDVVFMXRF-INIZCTEOSA-N	1	0	353.488	1.471	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]3C2)cn1	ZINC000975837226	802555458	/nfs/dbraw/zinc/55/54/58/802555458.db2.gz	RKFZHTXSGYNJMB-SNRMKQJTSA-N	1	0	368.481	1.466	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1	ZINC000893428974	802899305	/nfs/dbraw/zinc/89/93/05/802899305.db2.gz	VMIDXEVZRINSEA-GOSISDBHSA-N	1	0	351.491	1.548	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC000976554301	803515599	/nfs/dbraw/zinc/51/55/99/803515599.db2.gz	WMLMXFOXGKCKPQ-BRWVUGGUSA-N	1	0	357.458	1.528	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC000976556379	803521422	/nfs/dbraw/zinc/52/14/22/803521422.db2.gz	UMOLWCGWNTXHPR-KZNAEPCWSA-N	1	0	371.485	1.916	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[C@H]4C4CCC4)C[C@H]32)CC1	ZINC000976655220	803676651	/nfs/dbraw/zinc/67/66/51/803676651.db2.gz	LPSRTHIHJFZJAL-PXTPFGJHSA-N	1	0	369.509	1.341	20	30		FDEDRO
C#Cc1ccc(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)cn1	ZINC000728821188	803687770	/nfs/dbraw/zinc/68/77/70/803687770.db2.gz	AOQITPBMVALOKI-UHFFFAOYSA-N	1	0	350.422	1.284	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1	ZINC000423118334	814964271	/nfs/dbraw/zinc/96/42/71/814964271.db2.gz	AAJOWLMLDGGQMJ-GBESFXJTSA-N	1	0	368.481	1.883	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC#N)C1	ZINC001211669182	803972355	/nfs/dbraw/zinc/97/23/55/803972355.db2.gz	MFLWRNGAQBHVKO-WAOWUJCRSA-N	1	0	368.481	1.813	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1	ZINC000423165553	814984913	/nfs/dbraw/zinc/98/49/13/814984913.db2.gz	BAFMFYLPPSIYKV-HXUWFJFHSA-N	1	0	357.454	1.422	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CC[N@H+](C)[C@@H]4CC)C[C@H]32)cc1	ZINC000976934519	804113572	/nfs/dbraw/zinc/11/35/72/804113572.db2.gz	FGNDUXRCUANNGF-CENDIDJXSA-N	1	0	365.477	1.585	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1	ZINC000423214714	815004903	/nfs/dbraw/zinc/00/49/03/815004903.db2.gz	MZARFGGFVHTXEH-IBGZPJMESA-N	1	0	372.425	1.321	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)CC1(C)C	ZINC000977292021	804701901	/nfs/dbraw/zinc/70/19/01/804701901.db2.gz	KPEYBVIQRAYATA-BBWFWOEESA-N	1	0	361.490	1.476	20	30		FDEDRO
C=CCN(CC(=O)Nc1cc(C)nn1[C@H]1CCS(=O)(=O)C1)C(C)(C)C	ZINC000661755123	804819939	/nfs/dbraw/zinc/81/99/39/804819939.db2.gz	KJELIWAKXHQSSH-AWEZNQCLSA-N	1	0	368.503	1.776	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)C1CC[NH+](C)CC1	ZINC000977794283	804940827	/nfs/dbraw/zinc/94/08/27/804940827.db2.gz	GEAUEJYFHUHXER-KSZLIROESA-N	1	0	363.502	1.369	20	30		FDEDRO
C=CCC1([NH2+]CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)CCCC1	ZINC000661864274	805026955	/nfs/dbraw/zinc/02/69/55/805026955.db2.gz	OHQXEIQKXBIZAF-UHFFFAOYSA-N	1	0	362.474	1.446	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1	ZINC000977925361	805059074	/nfs/dbraw/zinc/05/90/74/805059074.db2.gz	WQTFGNQMWRRJLV-BZUAXINKSA-N	1	0	367.453	1.874	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@@H](C)C(=O)NC)C2)c1	ZINC001112527120	805100962	/nfs/dbraw/zinc/10/09/62/805100962.db2.gz	OIRWXPYPWLGBAQ-VHFSOBRXSA-N	1	0	354.454	1.029	20	30		FDEDRO
COC(=O)[C@@](C)(C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1	ZINC000469213738	815057917	/nfs/dbraw/zinc/05/79/17/815057917.db2.gz	NJEPRSMNTWBKOB-XLIONFOSSA-N	1	0	351.406	1.805	20	30		FDEDRO
CC(C)C[C@H](CNC(=O)NCC(=O)NCC#N)[NH2+][C@H](C)c1ccccc1	ZINC000511907543	805288360	/nfs/dbraw/zinc/28/83/60/805288360.db2.gz	SPNAUJLRQGPBRY-NVXWUHKLSA-N	1	0	359.474	1.691	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21	ZINC000978291880	805343267	/nfs/dbraw/zinc/34/32/67/805343267.db2.gz	KHZXKSCHIQFXKQ-XCZFOBESSA-N	1	0	354.450	1.136	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000278889837	806991433	/nfs/dbraw/zinc/99/14/33/806991433.db2.gz	OBEUDUBKKYVKMK-LSDHHAIUSA-N	1	0	357.458	1.796	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1nnc3c1CCCC3)C2	ZINC001112531179	806999960	/nfs/dbraw/zinc/99/99/60/806999960.db2.gz	JUJXHHDXJSUIHK-JXFKEZNVSA-N	1	0	355.486	1.399	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CN2CCOCC2=O)C1	ZINC001087430045	807040699	/nfs/dbraw/zinc/04/06/99/807040699.db2.gz	SLASXMXTOYTPEC-RTBURBONSA-N	1	0	371.481	1.396	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1c1ccccc1	ZINC001211696262	807174029	/nfs/dbraw/zinc/17/40/29/807174029.db2.gz	CUPWILAMPFIQGJ-ZWKOTPCHSA-N	1	0	354.454	1.739	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3occc3C)C2)CC1	ZINC000980930429	807317424	/nfs/dbraw/zinc/31/74/24/807317424.db2.gz	TUSKOCYPCWSQIP-FUHWJXTLSA-N	1	0	371.481	1.948	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1	ZINC000981053314	807465610	/nfs/dbraw/zinc/46/56/10/807465610.db2.gz	GSKSYJIKHQGWEN-GVDBMIGSSA-N	1	0	358.486	1.783	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1	ZINC000981167466	807631925	/nfs/dbraw/zinc/63/19/25/807631925.db2.gz	QYCUYZQQNDOYDM-VBQJREDUSA-N	1	0	357.458	1.385	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000981188474	807667628	/nfs/dbraw/zinc/66/76/28/807667628.db2.gz	IXQMFQZFMNSFSZ-QBYUYEEZSA-N	1	0	371.485	1.631	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1	ZINC000981195647	807678980	/nfs/dbraw/zinc/67/89/80/807678980.db2.gz	VDLPQCRWXLVARB-OFQRWUPVSA-N	1	0	357.458	1.243	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1	ZINC000981194711	807700449	/nfs/dbraw/zinc/70/04/49/807700449.db2.gz	IGIFYCYSXMZKIQ-YXJHDRRASA-N	1	0	371.485	1.774	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCn2cnccc2=O)C[C@H]1c1ccccc1	ZINC001211698428	807792482	/nfs/dbraw/zinc/79/24/82/807792482.db2.gz	NSDPFSYVGOGNCZ-RBUKOAKNSA-N	1	0	364.449	1.241	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N[C@@]2(C)CC[NH2+]C2)cc1	ZINC000663613425	807870084	/nfs/dbraw/zinc/87/00/84/807870084.db2.gz	FOBDELBQYWHCNU-FQEVSTJZSA-N	1	0	370.453	1.308	20	30		FDEDRO
C[C@@]1(NC(=O)C(=O)Nc2cccc(C#Cc3cccs3)c2)CC[NH2+]C1	ZINC000663615137	807878968	/nfs/dbraw/zinc/87/89/68/807878968.db2.gz	JEUWWJHCCVVLMJ-LJQANCHMSA-N	1	0	353.447	1.955	20	30		FDEDRO
CCCN(C(=O)C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)[C@H]1CC[NH2+]C1	ZINC000423643016	815175164	/nfs/dbraw/zinc/17/51/64/815175164.db2.gz	CLBULZAYTQPYAO-ZWKOTPCHSA-N	1	0	370.453	1.059	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3cnc(C)[nH]3)C2)CC1	ZINC000981544019	808114321	/nfs/dbraw/zinc/11/43/21/808114321.db2.gz	APTCXQIKXCYBLX-DOTOQJQBSA-N	1	0	371.485	1.078	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnc(OC)nc2)C[C@H]1c1ccccc1	ZINC001211700569	808331166	/nfs/dbraw/zinc/33/11/66/808331166.db2.gz	IMRFEZPMDUBNDL-ZWKOTPCHSA-N	1	0	350.422	1.706	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CCC(=O)N2C)C1	ZINC001087434251	808344032	/nfs/dbraw/zinc/34/40/32/808344032.db2.gz	DDBZKCLSRFXKBN-VAMGGRTRSA-N	1	0	367.493	1.995	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCN(C)C2=O)C1	ZINC001087434237	808344159	/nfs/dbraw/zinc/34/41/59/808344159.db2.gz	CHECXDTYMBZPFN-GUDVDZBRSA-N	1	0	353.466	1.462	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COCc2ncnn2C)C[C@H]1c1ccccc1	ZINC001211700653	808403756	/nfs/dbraw/zinc/40/37/56/808403756.db2.gz	MROQFADFFJJGMJ-ZWKOTPCHSA-N	1	0	369.469	1.492	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)COCc2ncnn2C)C[C@H]1c1ccccc1	ZINC001211700846	808493401	/nfs/dbraw/zinc/49/34/01/808493401.db2.gz	YHJDFTLYSVHNIE-ZWKOTPCHSA-N	1	0	369.469	1.492	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cn1	ZINC000981847650	808625247	/nfs/dbraw/zinc/62/52/47/808625247.db2.gz	JLAZVZNJPNCXPO-FRQCXROJSA-N	1	0	368.481	1.419	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1	ZINC000279351519	808942709	/nfs/dbraw/zinc/94/27/09/808942709.db2.gz	GANAKUNFMSKUKR-MRXNPFEDSA-N	1	0	352.442	1.817	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1	ZINC001087437588	809011285	/nfs/dbraw/zinc/01/12/85/809011285.db2.gz	ZGYQTOLCTDDMEN-AKHDSKFASA-N	1	0	369.465	1.017	20	30		FDEDRO
C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C[C@@]2(C)C1	ZINC000982308226	809202132	/nfs/dbraw/zinc/20/21/32/809202132.db2.gz	UEKZOIJOOBGYFD-CLWVCHIJSA-N	1	0	360.376	1.136	20	30		FDEDRO
CC[NH+]=C(NCc1ccccc1Cl)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261659880	809307218	/nfs/dbraw/zinc/30/72/18/809307218.db2.gz	FUSUGERCPPTXQF-UHFFFAOYSA-N	1	0	374.876	1.888	20	30		FDEDRO
N#Cc1ccccc1OC1CCC(NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1	ZINC000419028037	809424030	/nfs/dbraw/zinc/42/40/30/809424030.db2.gz	DHAJSBWGTWGTGW-OFLPRAFFSA-N	1	0	370.453	1.218	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C[C@@H]1[NH3+]	ZINC000419031559	809434284	/nfs/dbraw/zinc/43/42/84/809434284.db2.gz	JDSFMAIPJHHXCD-MFNRNEDNSA-N	1	0	370.453	1.170	20	30		FDEDRO
[NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000419111305	809582653	/nfs/dbraw/zinc/58/26/53/809582653.db2.gz	IQSNXZQVUXRYQR-UKRRQHHQSA-N	1	0	367.371	1.417	20	30		FDEDRO
C[NH+]=C(NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)NC1CC1	ZINC000261687706	809603457	/nfs/dbraw/zinc/60/34/57/809603457.db2.gz	ATRVSPUANRWMGI-IBGZPJMESA-N	1	0	355.442	1.739	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)NC(=O)NCC=C)C[C@H]1c1ccccc1	ZINC001211729847	809674119	/nfs/dbraw/zinc/67/41/19/809674119.db2.gz	KRQAFKWKQAYMEU-ZWKOTPCHSA-N	1	0	368.481	1.468	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CC[N@H+]2CC)ccc1F	ZINC000893872751	809781256	/nfs/dbraw/zinc/78/12/56/809781256.db2.gz	UVEQKRWBHGFOEL-CYBMUJFWSA-N	1	0	355.435	1.114	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)NCC2(O)CC[NH+](C(C)C)CC2)c1C#N	ZINC000473355300	809794221	/nfs/dbraw/zinc/79/42/21/809794221.db2.gz	GXQBMEMJZOQUBE-UHFFFAOYSA-N	1	0	358.442	1.157	20	30		FDEDRO
COCCOc1ccccc1N1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1	ZINC000424170356	815322303	/nfs/dbraw/zinc/32/23/03/815322303.db2.gz	KYQDFCUVZUBDRB-MRXNPFEDSA-N	1	0	360.458	1.382	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2nn(CC)nc2C)C[C@H]1c1ccccc1	ZINC001211736375	809922072	/nfs/dbraw/zinc/92/20/72/809922072.db2.gz	SYWMYVRCZDCPTP-ZWKOTPCHSA-N	1	0	351.454	1.828	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CCCC)NC(N)=O)C[C@H]1c1ccccc1	ZINC001211736280	809926380	/nfs/dbraw/zinc/92/63/80/809926380.db2.gz	PGFKLTJHJCGQHT-RCCFBDPRSA-N	1	0	356.470	1.431	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)C(N)=O)C[C@H]1c1ccccc1	ZINC001211745985	809982059	/nfs/dbraw/zinc/98/20/59/809982059.db2.gz	OOSQOXSPPBYTPV-CEXWTWQISA-N	1	0	355.482	1.742	20	30		FDEDRO
C#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cc(OC)ncn2)C1	ZINC001087455504	810064349	/nfs/dbraw/zinc/06/43/49/810064349.db2.gz	ZAGBVEJOUDHKSZ-SJLPKXTDSA-N	1	0	368.412	1.845	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1	ZINC001087456566	810152366	/nfs/dbraw/zinc/15/23/66/810152366.db2.gz	DDHQUXCTHCKLQV-IAGOWNOFSA-N	1	0	370.428	1.693	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21	ZINC000249139132	810227170	/nfs/dbraw/zinc/22/71/70/810227170.db2.gz	FHXAIFPMZPZUTC-BFYDXBDKSA-N	1	0	370.453	1.859	20	30		FDEDRO
C=CCN(C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[C@H](C)COC	ZINC000664050971	810273383	/nfs/dbraw/zinc/27/33/83/810273383.db2.gz	HFHXFDLHEBKNFX-OAHLLOKOSA-N	1	0	354.495	1.162	20	30		FDEDRO
C[NH+]=C(NCC(C)(C)CC(C)C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1	ZINC000261719607	810302060	/nfs/dbraw/zinc/30/20/60/810302060.db2.gz	IGIQZFZISBNPCX-IBGZPJMESA-N	1	0	365.522	1.944	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1C[C@@](C)(OC)C1(C)C)N1CCN(C(C)(C)C(N)=O)CC1	ZINC000261720443	810303484	/nfs/dbraw/zinc/30/34/84/810303484.db2.gz	KTHGRJVTZURZSC-AUUYWEPGSA-N	1	0	367.538	1.037	20	30		FDEDRO
N#CCCn1cc(C[NH2+][C@H]2CCC[C@H](C(N)=O)C2)c(-c2ccncc2)n1	ZINC000433314976	810414571	/nfs/dbraw/zinc/41/45/71/810414571.db2.gz	CRZNGAVASSMPCC-RDJZCZTQSA-N	1	0	352.442	1.992	20	30		FDEDRO
Cc1onc(CC(=O)N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c1C#N	ZINC000433355538	810449639	/nfs/dbraw/zinc/44/96/39/810449639.db2.gz	WPTTVIPKEWNSHE-KXBFYZLASA-N	1	0	353.426	1.944	20	30		FDEDRO
C=CCn1c(COCC)nnc1N1CCN(c2cc[nH+]cc2OC)CC1	ZINC000508812274	810482280	/nfs/dbraw/zinc/48/22/80/810482280.db2.gz	WASLTROWPXTYIR-UHFFFAOYSA-N	1	0	358.446	1.731	20	30		FDEDRO
C=C(Cl)CN1CC[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1	ZINC001028547544	810613314	/nfs/dbraw/zinc/61/33/14/810613314.db2.gz	XXYINLBAATYOLM-JQHSSLGASA-N	1	0	369.937	1.924	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2)C1	ZINC001028549731	810619346	/nfs/dbraw/zinc/61/93/46/810619346.db2.gz	WPFAOLOIIATQQT-UHOSZYNNSA-N	1	0	371.481	1.705	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](CNC(=O)[C@]23C[C@H]2COC3)C1	ZINC001028555264	810649876	/nfs/dbraw/zinc/64/98/76/810649876.db2.gz	VHPPZSZLISSBCW-SYNHAJSKSA-N	1	0	355.438	1.541	20	30		FDEDRO
C=CCc1cc(CNC(=O)C(=O)NCC2=CC[NH2+]CC2)cc(OC)c1OC	ZINC000419358152	810672659	/nfs/dbraw/zinc/67/26/59/810672659.db2.gz	JTCOAJMZEYXALB-UHFFFAOYSA-N	1	0	373.453	1.084	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCN(C(=O)c2ccco2)CC1	ZINC000261719333	811304477	/nfs/dbraw/zinc/30/44/77/811304477.db2.gz	WLJSLZDZWMPOBN-UAGQMJEPSA-N	1	0	372.469	1.570	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)[C@H](OCC)C2)C1	ZINC000983287058	815439553	/nfs/dbraw/zinc/43/95/53/815439553.db2.gz	RYYRVCXYOVEELP-BRWVUGGUSA-N	1	0	363.502	1.417	20	30		FDEDRO
Cc1nnc(CNC(=[NH+]C2CC2)N2CCN(c3ccc(F)cc3)CC2)n1C	ZINC000261953672	811352375	/nfs/dbraw/zinc/35/23/75/811352375.db2.gz	IEBSSCCPWPPFCL-UHFFFAOYSA-N	1	0	371.464	1.693	20	30		FDEDRO
C[NH+]=C(NCCN1C(=O)CNC1=O)N[C@@H]1CC(C)(C)Oc2ccccc21	ZINC000261958587	811352993	/nfs/dbraw/zinc/35/29/93/811352993.db2.gz	JMXPTQYGTLRDFF-CYBMUJFWSA-N	1	0	359.430	1.006	20	30		FDEDRO
C[NH+]=C(NCc1nnc(C)n1C)N1CCN(c2ccccc2OC)CC1	ZINC000261981684	811360791	/nfs/dbraw/zinc/36/07/91/811360791.db2.gz	PAHGBHUGBYRFDY-UHFFFAOYSA-N	1	0	357.462	1.030	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCC2)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000262184742	811407514	/nfs/dbraw/zinc/40/75/14/811407514.db2.gz	GBVLZMPJGFMGPL-MRXNPFEDSA-N	1	0	353.474	1.164	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCC2)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000262184741	811407825	/nfs/dbraw/zinc/40/78/25/811407825.db2.gz	GBVLZMPJGFMGPL-INIZCTEOSA-N	1	0	353.474	1.164	20	30		FDEDRO
COC[C@H]1CCN(C(N[C@H]2CCc3ccccc3C2)=[NH+]CC(=O)N(C)C)C1	ZINC000262246939	811422408	/nfs/dbraw/zinc/42/24/08/811422408.db2.gz	BBKQMRSRDCOIHS-LPHOPBHVSA-N	1	0	372.513	1.546	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@H]1CCOc2ccccc21)=[NH+]C[C@@H]1CCCCO1	ZINC000262252568	811424225	/nfs/dbraw/zinc/42/42/25/811424225.db2.gz	CEAICZBXSNCTQR-RDJZCZTQSA-N	1	0	374.485	1.703	20	30		FDEDRO
CN(C)C(=O)C[NH+]=C(NCc1ccccn1)N[C@H]1CCc2ccccc2C1	ZINC000262309943	811438218	/nfs/dbraw/zinc/43/82/18/811438218.db2.gz	PMJBYBDSIGGXRY-SFHVURJKSA-N	1	0	365.481	1.763	20	30		FDEDRO
Cc1nn(C)c(N2CCN(c3cc(N4CCCC4)ncn3)CC2)c1C#N	ZINC000433797096	811468932	/nfs/dbraw/zinc/46/89/32/811468932.db2.gz	SNXNQPWKJZTNIT-UHFFFAOYSA-N	1	0	352.446	1.317	20	30		FDEDRO
C[NH+]=C(NC[C@@H](c1ccco1)N(C)C)N1CCN(c2ccccn2)CC1	ZINC000262569614	811495736	/nfs/dbraw/zinc/49/57/36/811495736.db2.gz	MOAOPBPRFKUAEW-INIZCTEOSA-N	1	0	356.474	1.675	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1	ZINC000280003628	811694731	/nfs/dbraw/zinc/69/47/31/811694731.db2.gz	LIAPBNZUKDGGRC-QFBILLFUSA-N	1	0	366.465	1.952	20	30		FDEDRO
CC[NH+]=C(NCc1cccc(O)c1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1	ZINC000261800527	811756715	/nfs/dbraw/zinc/75/67/15/811756715.db2.gz	RKNABBZNIDYIMO-LJQANCHMSA-N	1	0	373.457	1.168	20	30		FDEDRO
C[NH+](C)CCn1cc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)ccc1=O	ZINC000280277926	811768967	/nfs/dbraw/zinc/76/89/67/811768967.db2.gz	YRUUDAHNBIKTTE-QGZVFWFLSA-N	1	0	363.421	1.603	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1	ZINC000982898715	811905901	/nfs/dbraw/zinc/90/59/01/811905901.db2.gz	VFWDBEFKNOWEOH-JQHSSLGASA-N	1	0	363.502	1.417	20	30		FDEDRO
CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000419955570	812302101	/nfs/dbraw/zinc/30/21/01/812302101.db2.gz	NOOFGUNBMHAEEN-MRXNPFEDSA-N	1	0	372.469	1.418	20	30		FDEDRO
CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cn1cnc(C#N)n1	ZINC000513907282	815538689	/nfs/dbraw/zinc/53/86/89/815538689.db2.gz	JRRUTVIPMCRSEH-INIZCTEOSA-N	1	0	352.442	1.567	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)NCC[C@@H]3CCC[NH2+]C3)CC2)cc1	ZINC000419980469	813386596	/nfs/dbraw/zinc/38/65/96/813386596.db2.gz	QYIAPSGRRAZSQY-KRWDZBQOSA-N	1	0	366.465	1.680	20	30		FDEDRO
COC(=O)[C@]12C[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C[C@H]1COCC2	ZINC000366597734	813642654	/nfs/dbraw/zinc/64/26/54/813642654.db2.gz	UYLVFXJVKUGMGU-HNAYVOBHSA-N	1	0	368.393	1.620	20	30		FDEDRO
Cc1cc(C#N)ccc1C(=O)NC1CCN(CC(=O)N2CCCC2)CC1	ZINC000366691063	813812351	/nfs/dbraw/zinc/81/23/51/813812351.db2.gz	PXUIUSDQYMLJIS-UHFFFAOYSA-N	1	0	354.454	1.683	20	30		FDEDRO
CNC(=O)[C@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1	ZINC000420967444	813887929	/nfs/dbraw/zinc/88/79/29/813887929.db2.gz	AACRDZRQZNWVAU-CABCVRRESA-N	1	0	358.442	1.398	20	30		FDEDRO
CNC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1	ZINC000420967451	813889200	/nfs/dbraw/zinc/88/92/00/813889200.db2.gz	AACRDZRQZNWVAU-HUUCEWRRSA-N	1	0	358.442	1.398	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)NCCNc2cc[nH+]cc2)c(C#N)cn1CC	ZINC000421175495	813979174	/nfs/dbraw/zinc/97/91/74/813979174.db2.gz	PUODVZSVWDAGKL-UHFFFAOYSA-N	1	0	370.413	1.607	20	30		FDEDRO
N#Cc1cccc(CCNC(=O)N2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)c1	ZINC000366978739	814201498	/nfs/dbraw/zinc/20/14/98/814201498.db2.gz	BHKQIMAFBXUZDP-MOPGFXCFSA-N	1	0	356.470	1.731	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NC[C@@H]2COC3(CCOCC3)O2)cc1OC	ZINC000271938976	814520456	/nfs/dbraw/zinc/52/04/56/814520456.db2.gz	LBBZPDLNVUNMCW-CQSZACIVSA-N	1	0	365.430	1.030	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCN(C(=O)[C@]34C[C@H]3CCC4)C2)CC1	ZINC000983091267	814580210	/nfs/dbraw/zinc/58/02/10/814580210.db2.gz	GETNTPHPTPRWJZ-YRISNDGFSA-N	1	0	357.498	1.487	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[C@H](OCC)C1	ZINC000983131794	814800417	/nfs/dbraw/zinc/80/04/17/814800417.db2.gz	AEUYGKCPZCJNTD-GVDBMIGSSA-N	1	0	365.518	1.520	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC#Cc2ccccc2)C1	ZINC001028803044	815697310	/nfs/dbraw/zinc/69/73/10/815697310.db2.gz	XKAZMXAZMQMXHT-CEXWTWQISA-N	1	0	353.466	1.201	20	30		FDEDRO
N#Cc1cccc(NC(=O)CC[NH+]2CCC([C@@H](O)C(=O)NC3CC3)CC2)c1	ZINC000434724742	815720565	/nfs/dbraw/zinc/72/05/65/815720565.db2.gz	GHHNKNNUGWTPAX-LJQANCHMSA-N	1	0	370.453	1.238	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](CCn4cc(Cl)cn4)C[C@H]32)c[nH]1	ZINC001075709301	815764536	/nfs/dbraw/zinc/76/45/36/815764536.db2.gz	DQXITKFIQNPKQB-BLLLJJGKSA-N	1	0	358.833	1.583	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](O)c4ccccc4)C[C@H]32)c[nH]1	ZINC001075710122	815770481	/nfs/dbraw/zinc/77/04/81/815770481.db2.gz	XGYYFRZMGNJXBT-KFKAGJAMSA-N	1	0	350.422	1.766	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](C[C@H](O)Cc4ccccc4)C[C@H]32)c[nH]1	ZINC001075709872	815776054	/nfs/dbraw/zinc/77/60/54/815776054.db2.gz	RTXCAALIKFSDLL-PWIZWCRZSA-N	1	0	364.449	1.636	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2nnc(C)n2CCC)C1	ZINC001028808940	815787990	/nfs/dbraw/zinc/78/79/90/815787990.db2.gz	HZXNRYQAXOKYSI-BBWFWOEESA-N	1	0	361.490	1.526	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]CCCN1CCCC1=O	ZINC001167957366	815894125	/nfs/dbraw/zinc/89/41/25/815894125.db2.gz	VNDRJOVZUFPFCJ-WMZOPIPTSA-N	1	0	351.491	1.466	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1	ZINC000366621993	815899707	/nfs/dbraw/zinc/89/97/07/815899707.db2.gz	UKYYYMFZJKTOQP-UHFFFAOYSA-N	1	0	355.438	1.770	20	30		FDEDRO
N#CCCn1cc(C[N@H+]2CCC[C@@H](CC(N)=O)C2)c(-c2ccncc2)n1	ZINC000435130640	815919115	/nfs/dbraw/zinc/91/91/15/815919115.db2.gz	QTYUOWDNDPGYEC-HNNXBMFYSA-N	1	0	352.442	1.946	20	30		FDEDRO
CC[NH+]=C(NC[C@]1(O)CCc2ccccc21)N1CCN(C(=O)C(C)C)CC1	ZINC000261928524	816032895	/nfs/dbraw/zinc/03/28/95/816032895.db2.gz	VYISWFXGYKCTDZ-OAQYLSRUSA-N	1	0	372.513	1.586	20	30		FDEDRO
COc1ccc(-c2cc(NC(=O)[C@H]([NH3+])CCCC#N)n(CCO)n2)cc1	ZINC000515058629	816087014	/nfs/dbraw/zinc/08/70/14/816087014.db2.gz	YDOMRHROFOOFSM-OAHLLOKOSA-N	1	0	357.414	1.511	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCCCc2c[nH]nn2)C[C@H]1C(F)(F)F	ZINC001112136911	816462448	/nfs/dbraw/zinc/46/24/48/816462448.db2.gz	LMHFKKCWYPZEDD-ZIAGYGMSSA-N	1	0	357.380	1.520	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(C(=O)C(=O)Nc2sccc2C#N)CC1	ZINC000516669327	816953015	/nfs/dbraw/zinc/95/30/15/816953015.db2.gz	PIKUPYCRFMBJRL-UHFFFAOYSA-N	1	0	371.422	1.311	20	30		FDEDRO
C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1	ZINC000894334881	817086943	/nfs/dbraw/zinc/08/69/43/817086943.db2.gz	FDUYQGSZABLUNJ-BFWZDYSYSA-N	1	0	369.469	1.989	20	30		FDEDRO
CC[NH+](CC)CCn1ccc2cc(NC(=O)C(=O)NCCC#N)ccc21	ZINC000427869039	817140797	/nfs/dbraw/zinc/14/07/97/817140797.db2.gz	XCSVPGYWQKQWFI-UHFFFAOYSA-N	1	0	355.442	1.951	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N(C)CCC[NH3+])cc1	ZINC000516982149	817163565	/nfs/dbraw/zinc/16/35/65/817163565.db2.gz	WBMCLOSSKVHRLR-UHFFFAOYSA-N	1	0	358.442	1.247	20	30		FDEDRO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCCCC[NH+]1CCOCC1	ZINC000425878889	817284011	/nfs/dbraw/zinc/28/40/11/817284011.db2.gz	ZKCKLEHLEVVZQW-INIZCTEOSA-N	1	0	372.469	1.306	20	30		FDEDRO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCC[NH+]1CCC(C)CC1	ZINC000425874544	817288624	/nfs/dbraw/zinc/28/86/24/817288624.db2.gz	RNHHWIWOOHNVOG-INIZCTEOSA-N	1	0	356.470	1.926	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCN(C)CC2)C1	ZINC000366682828	817440161	/nfs/dbraw/zinc/44/01/61/817440161.db2.gz	ZLNKPPWMSXEMHC-QRVBRYPASA-N	1	0	364.534	1.637	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(OC)c(OC)cc2OC)c1C#N	ZINC000517504758	817466273	/nfs/dbraw/zinc/46/62/73/817466273.db2.gz	LGCOYODWYISHGI-UHFFFAOYSA-N	1	0	373.413	1.711	20	30		FDEDRO
N#Cc1ccccc1OC1CCC([NH2+]C[C@H](O)CN2CCOCC2)CC1	ZINC000517557114	817485680	/nfs/dbraw/zinc/48/56/80/817485680.db2.gz	YCMOLYDSHOTMJY-XBMUEBEBSA-N	1	0	359.470	1.531	20	30		FDEDRO
CC[NH+]=C(NCc1cccc(-n2cncn2)c1)N1CC[C@]2(CCOC2)C1	ZINC000261964902	817821146	/nfs/dbraw/zinc/82/11/46/817821146.db2.gz	LCAAABZNSNYTLV-IBGZPJMESA-N	1	0	354.458	1.845	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)cc1	ZINC000518519497	817913920	/nfs/dbraw/zinc/91/39/20/817913920.db2.gz	VMRRHYLTALUVDM-CVEARBPZSA-N	1	0	372.446	1.459	20	30		FDEDRO
CCOC(=O)[C@]1(COC)CCC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1	ZINC000439474970	817973176	/nfs/dbraw/zinc/97/31/76/817973176.db2.gz	CUUABRLUBCKGRD-ZYSHUDEJSA-N	1	0	367.490	1.721	20	30		FDEDRO
C[NH+]=C(NCc1ccnc(N2CCOCC2)c1)N(C)Cc1cccn1C	ZINC000261995972	818004431	/nfs/dbraw/zinc/00/44/31/818004431.db2.gz	SJYVMHKZOPGQKQ-UHFFFAOYSA-N	1	0	356.474	1.464	20	30		FDEDRO
Cc1nnc(CC(=O)N2CC[C@H]3CN(Cc4ccc(F)c(C#N)c4)C[C@H]32)o1	ZINC001075762111	818087512	/nfs/dbraw/zinc/08/75/12/818087512.db2.gz	QBYPYGQJWYXDTI-WMLDXEAASA-N	1	0	369.400	1.664	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2ccc(=O)[nH]n2)C1	ZINC001087472542	818168691	/nfs/dbraw/zinc/16/86/91/818168691.db2.gz	KDDKKYGPTZDDNV-WMZOPIPTSA-N	1	0	368.437	1.965	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C[C@H]2CCC(=O)N2)C1	ZINC001087475948	818340680	/nfs/dbraw/zinc/34/06/80/818340680.db2.gz	LLTKEUYXYFOWRF-NEWSRXKRSA-N	1	0	371.481	1.824	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1	ZINC000983720075	818704520	/nfs/dbraw/zinc/70/45/20/818704520.db2.gz	GWTHIECJZQQRGC-UWWQBHOKSA-N	1	0	371.485	1.728	20	30		FDEDRO
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000507310008	818721347	/nfs/dbraw/zinc/72/13/47/818721347.db2.gz	AXYWNJKBPHZQAK-BEFAXECRSA-N	1	0	365.474	1.429	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+][C@H]1CCN(C(C)(C)C)C1=O	ZINC001167985868	818782174	/nfs/dbraw/zinc/78/21/74/818782174.db2.gz	QBZXKLNGQACOQI-ULQDDVLXSA-N	1	0	365.518	1.853	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1	ZINC000519611305	818822752	/nfs/dbraw/zinc/82/27/52/818822752.db2.gz	LBZIXNAXINAVEV-MRXNPFEDSA-N	1	0	374.416	1.349	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]Cc2cn(CC)nn2)CC1	ZINC001029146862	818934549	/nfs/dbraw/zinc/93/45/49/818934549.db2.gz	WULBEEUDCSNLIN-QGTPRVQTSA-N	1	0	361.490	1.606	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1c(=O)[nH]c3ccccc31)C2	ZINC001112535878	819196665	/nfs/dbraw/zinc/19/66/65/819196665.db2.gz	FBHSGEDFUQKWQG-YWZLYKJASA-N	1	0	352.438	1.593	20	30		FDEDRO
N#Cc1cnn2c1NC[C@H](C[NH2+]CC(=O)N[C@H]1CCOc3ccccc31)C2	ZINC000520230243	819262767	/nfs/dbraw/zinc/26/27/67/819262767.db2.gz	HYFBTLRCOIWCOZ-BBRMVZONSA-N	1	0	366.425	1.026	20	30		FDEDRO
O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN(C2CC2)C(=O)C1	ZINC000328675962	819528815	/nfs/dbraw/zinc/52/88/15/819528815.db2.gz	RFUXGEXQGLGNKT-KRWDZBQOSA-N	1	0	356.470	1.729	20	30		FDEDRO
Cc1ccccc1C[NH+]1CCC(NC(=O)N2C[C@@H]3COC[C@H](C2)O3)CC1	ZINC000328784773	819557187	/nfs/dbraw/zinc/55/71/87/819557187.db2.gz	IKNOLUGPZNQCBL-KDURUIRLSA-N	1	0	359.470	1.973	20	30		FDEDRO
C[NH+]1CCC(Oc2ccc(CNC(=O)NC[C@@H]3COCCO3)cc2)CC1	ZINC000328901781	819571713	/nfs/dbraw/zinc/57/17/13/819571713.db2.gz	ZNFMBIMFFPINPS-GOSISDBHSA-N	1	0	363.458	1.579	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1	ZINC000983805699	819592028	/nfs/dbraw/zinc/59/20/28/819592028.db2.gz	OIWPZXGDLMSXDM-ZBFHGGJFSA-N	1	0	357.458	1.339	20	30		FDEDRO
CC[NH+](CC)C[C@H](C)NC(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1	ZINC000330475179	819616227	/nfs/dbraw/zinc/61/62/27/819616227.db2.gz	FMUSEBWHCKIYLN-INIZCTEOSA-N	1	0	367.538	1.117	20	30		FDEDRO
COc1cccc([C@@H](O)C[N@@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)c1	ZINC001075780160	819617326	/nfs/dbraw/zinc/61/73/26/819617326.db2.gz	FAUQTGIRRIQGDL-SXLOBPIMSA-N	1	0	354.450	1.675	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1	ZINC000983810172	819632688	/nfs/dbraw/zinc/63/26/88/819632688.db2.gz	ZSJYSISNTZLEPP-CPUCHLNUSA-N	1	0	357.458	1.195	20	30		FDEDRO
C[C@H](O)[C@H]1CCN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1	ZINC000330806716	819644472	/nfs/dbraw/zinc/64/44/72/819644472.db2.gz	JCGPPQWSAVBXQT-HOCLYGCPSA-N	1	0	368.522	1.230	20	30		FDEDRO
COc1cc(OC)c(OC)cc1NC(=O)N1CC[NH+](CC(C)(C)O)CC1	ZINC000331185091	819670088	/nfs/dbraw/zinc/67/00/88/819670088.db2.gz	UCHDDDKDQQECDV-UHFFFAOYSA-N	1	0	367.446	1.646	20	30		FDEDRO
Cn1ccc(CC(=O)N2CC[C@H]3CN(Cc4ccc(F)c(C#N)c4)C[C@H]32)n1	ZINC001075782684	819713922	/nfs/dbraw/zinc/71/39/22/819713922.db2.gz	NCUVAHZTFHRKJE-HNAYVOBHSA-N	1	0	367.428	1.706	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C(F)(F)F	ZINC001112154224	819719998	/nfs/dbraw/zinc/71/99/98/819719998.db2.gz	ATCPWAXJAVMSOO-JHJVBQTASA-N	1	0	364.412	1.617	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)CO[C@@H]4CCOC4)[C@@H]3C2)c1	ZINC001075784806	819789213	/nfs/dbraw/zinc/78/92/13/819789213.db2.gz	IHUMFGWCSXPBSR-IPMKNSEASA-N	1	0	355.438	1.396	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1	ZINC000293961177	820518376	/nfs/dbraw/zinc/51/83/76/820518376.db2.gz	LDGREFCCPUNTOW-LJQANCHMSA-N	1	0	355.482	1.919	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1	ZINC000520771094	820666838	/nfs/dbraw/zinc/66/68/38/820666838.db2.gz	PKTZQVRRUIAGMP-ZWKOTPCHSA-N	1	0	369.469	1.348	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CC1(N2CCC(OC)CC2)CCCC1	ZINC000520777689	820681585	/nfs/dbraw/zinc/68/15/85/820681585.db2.gz	KCYDCFVHVJSFJY-OAHLLOKOSA-N	1	0	366.506	1.400	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C[C@@H]1CCNC(=O)CC1	ZINC001087535626	820936019	/nfs/dbraw/zinc/93/60/19/820936019.db2.gz	TTYUFTQLLVLTNC-JLJPHGGASA-N	1	0	357.458	1.385	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000984115772	820982768	/nfs/dbraw/zinc/98/27/68/820982768.db2.gz	OBTNGRNGWDPFEN-FGTMMUONSA-N	1	0	371.485	1.680	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)Cc1cnc[nH]1	ZINC000984122285	821020271	/nfs/dbraw/zinc/02/02/71/821020271.db2.gz	JUEIVGNFFJZXKF-SPUZQDLCSA-N	1	0	374.485	1.677	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1	ZINC000521239364	821175581	/nfs/dbraw/zinc/17/55/81/821175581.db2.gz	ISSSPIOCRVDRIH-UHFFFAOYSA-N	1	0	374.445	1.472	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2CC)C1=O	ZINC001087545519	821247409	/nfs/dbraw/zinc/24/74/09/821247409.db2.gz	ONDMXSNGKXEBBQ-UAGQMJEPSA-N	1	0	355.442	1.256	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001059337082	821422104	/nfs/dbraw/zinc/42/21/04/821422104.db2.gz	AEJDOXJPMTVGMV-YESZJQIVSA-N	1	0	351.491	1.274	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CCN1Cc1ccc(C#N)cc1F	ZINC001087560494	821491513	/nfs/dbraw/zinc/49/15/13/821491513.db2.gz	CQDBHQZVUCYAOZ-HRCADAONSA-N	1	0	360.389	1.275	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(Cc4ccc(C#N)s4)C[C@H]32)CC[N@@H+]1C	ZINC001075812179	821497357	/nfs/dbraw/zinc/49/73/57/821497357.db2.gz	YYOQLCMGRNRMAJ-LTCOOKNTSA-N	1	0	358.511	1.993	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ncccc2C)[C@@H]1CC	ZINC001087607145	821714410	/nfs/dbraw/zinc/71/44/10/821714410.db2.gz	NPCVCVFNQQRWBZ-SXLOBPIMSA-N	1	0	354.498	1.957	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC(=O)N2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087615733	821754571	/nfs/dbraw/zinc/75/45/71/821754571.db2.gz	LBENUNDZSZGAMF-RCCFBDPRSA-N	1	0	354.454	1.696	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCO[C@H]1c1ccccc1	ZINC001168085706	828376537	/nfs/dbraw/zinc/37/65/37/828376537.db2.gz	LMZKOKVVJVBXQJ-JQHSSLGASA-N	1	0	359.470	1.551	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccnnc3C)[C@H]2CC)C1=O	ZINC001087643044	821888203	/nfs/dbraw/zinc/88/82/03/821888203.db2.gz	WKVCUISGKPFUMU-BBWFWOEESA-N	1	0	357.458	1.155	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](c3ccccc3)[C@H](NC(C)=O)C2)CC1	ZINC000984290187	822202906	/nfs/dbraw/zinc/20/29/06/822202906.db2.gz	PIQJHIWXULIBLY-NHCUHLMSSA-N	1	0	367.493	1.852	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087759087	822372951	/nfs/dbraw/zinc/37/29/51/822372951.db2.gz	BDOWQUJVVCGIFH-OKZBNKHCSA-N	1	0	354.454	1.696	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)Cn2cncn2)CC[N@@H+]1Cc1cc(C#N)ccc1OC	ZINC001087820235	822498824	/nfs/dbraw/zinc/49/88/24/822498824.db2.gz	RYYCRMAPRZHVEI-DLBZAZTESA-N	1	0	368.441	1.328	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H]1CC	ZINC001087818757	822502439	/nfs/dbraw/zinc/50/24/39/822502439.db2.gz	LTFMQWADQKAXLY-UONOGXRCSA-N	1	0	350.463	1.252	20	30		FDEDRO
COc1ccccc1[C@@H](CNC(=O)c1cnn(C)c1C#N)[NH+]1CCCC1	ZINC000474189058	822620462	/nfs/dbraw/zinc/62/04/62/822620462.db2.gz	KVVDFCDXFKDOJU-QGZVFWFLSA-N	1	0	353.426	1.867	20	30		FDEDRO
COc1cccc(CCC[N@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)c1	ZINC001083418450	822632691	/nfs/dbraw/zinc/63/26/91/822632691.db2.gz	KDBYQOHUKKSLHY-MOPGFXCFSA-N	1	0	368.437	1.303	20	30		FDEDRO
Cc1c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)cnn1CCC#N	ZINC000895563412	822653181	/nfs/dbraw/zinc/65/31/81/822653181.db2.gz	DQHWUVHEJKREQJ-UHFFFAOYSA-N	1	0	367.457	1.182	20	30		FDEDRO
CO[C@@H]1CCOC[C@H]1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000895593937	822667019	/nfs/dbraw/zinc/66/70/19/822667019.db2.gz	BIYKDQQYBLIXAJ-RTBURBONSA-N	1	0	372.469	1.626	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C4=COCCO4)C[C@@H]3C2)cc1	ZINC001087874165	822669170	/nfs/dbraw/zinc/66/91/70/822669170.db2.gz	JTIKXHKPRMYVIS-MSOLQXFVSA-N	1	0	353.422	1.727	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCOC4)C[C@@H]3C2)cc1	ZINC001087902994	822779410	/nfs/dbraw/zinc/77/94/10/822779410.db2.gz	WZQASBZWWPKBOM-QRVBRYPASA-N	1	0	369.465	1.906	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(C#N)cc2)C1	ZINC001029840258	828489428	/nfs/dbraw/zinc/48/94/28/828489428.db2.gz	VAEWAYIHPXENHR-QRVBRYPASA-N	1	0	368.481	1.563	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4=COCCC4)C[C@@H]3C2)C1=O	ZINC001087907647	823740377	/nfs/dbraw/zinc/74/03/77/823740377.db2.gz	QLQVFBYKLZVAPI-NJAFHUGGSA-N	1	0	359.470	1.248	20	30		FDEDRO
C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc3ccccc3c2O)CC1	ZINC000895920112	823769757	/nfs/dbraw/zinc/76/97/57/823769757.db2.gz	DYFAEYBCMCQWJE-UHFFFAOYSA-N	1	0	359.451	1.131	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cncc(C)c4)C[C@@H]3C2)C1=O	ZINC001087919739	823899329	/nfs/dbraw/zinc/89/93/29/823899329.db2.gz	PJESTRNOLIDUSV-NEWSRXKRSA-N	1	0	368.481	1.571	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCNC(=O)C4)C[C@@H]3C2)c1	ZINC001087932372	823969167	/nfs/dbraw/zinc/96/91/67/823969167.db2.gz	VITIRXAPSTXHRA-OTWHNJEPSA-N	1	0	366.465	1.365	20	30		FDEDRO
Cc1nccnc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C1	ZINC001087938889	824018373	/nfs/dbraw/zinc/01/83/73/824018373.db2.gz	OVHBXRBPGILYGH-CABCVRRESA-N	1	0	350.426	1.579	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCN(C(=O)NC3CCN(c4ccccc4C#N)CC3)[C@@H]2C1	ZINC000896102498	824030787	/nfs/dbraw/zinc/03/07/87/824030787.db2.gz	CGYSPHDHHUWFPL-QFBILLFUSA-N	1	0	353.470	1.873	20	30		FDEDRO
Cc1nn(C)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C1	ZINC001087940551	824036684	/nfs/dbraw/zinc/03/66/84/824036684.db2.gz	NNWIRRSEUNKSPR-PBHICJAKSA-N	1	0	352.442	1.522	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccnn4CC)C[C@@H]3C2)C1=O	ZINC001087946491	824061567	/nfs/dbraw/zinc/06/15/67/824061567.db2.gz	NPBNEAHUGQTUEB-IXDOHACOSA-N	1	0	371.485	1.084	20	30		FDEDRO
C[C@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1	ZINC001087961747	824182653	/nfs/dbraw/zinc/18/26/53/824182653.db2.gz	ICOYSBBGHUQMRW-NXHRZFHOSA-N	1	0	357.498	1.627	20	30		FDEDRO
COc1cccc([C@@H](O)C[N@@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)c1	ZINC001087961928	824182905	/nfs/dbraw/zinc/18/29/05/824182905.db2.gz	QBNYQGOAGSDERT-DYXWJJEUSA-N	1	0	368.477	1.922	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4)CC[C@@H]3C2)[nH]1	ZINC001087960537	824191317	/nfs/dbraw/zinc/19/13/17/824191317.db2.gz	ZZBXTCRGAXZDLI-MSOLQXFVSA-N	1	0	364.453	1.508	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([C@H]4CCCN4C)[nH]n3)C[C@@H]2C1	ZINC001087973077	824305215	/nfs/dbraw/zinc/30/52/15/824305215.db2.gz	IIOCJYZYQSDAPF-JTDSTZFVSA-N	1	0	355.486	1.594	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@]45C[C@H]4COC5)C[C@@H]3C2)cc1	ZINC001087973463	824305959	/nfs/dbraw/zinc/30/59/59/824305959.db2.gz	ZNPZHSONMRGNLG-JKBKZWBZSA-N	1	0	351.450	1.875	20	30		FDEDRO
Cc1cccc(N2CC[NH+](CCCNC(=O)c3cnn(C)c3C#N)CC2)c1	ZINC000474784110	824427717	/nfs/dbraw/zinc/42/77/17/824427717.db2.gz	OMSCQCZBHFZXRJ-UHFFFAOYSA-N	1	0	366.469	1.542	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3cnc(C)[nH]3)[C@H]2CC)CC1	ZINC000984695849	824503597	/nfs/dbraw/zinc/50/35/97/824503597.db2.gz	PQWWFZQFKBXPOX-FUHWJXTLSA-N	1	0	371.485	1.173	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2OCCN(CC(=O)NCc3cnn(-c4ccccc4)c3)[C@H]2C1	ZINC000329032656	824540011	/nfs/dbraw/zinc/54/00/11/824540011.db2.gz	QDOQUFOKOPCHTE-OALUTQOASA-N	1	0	369.469	1.734	20	30		FDEDRO
Cc1noc([C@@H]2CN(C(=O)N[C@H](C)C[N@@H+]3CCC[C@H](C)C3)CCN2C)n1	ZINC000329109482	824592837	/nfs/dbraw/zinc/59/28/37/824592837.db2.gz	FZRWLADBOBXWSP-LZWOXQAQSA-N	1	0	364.494	1.701	20	30		FDEDRO
CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC[C@@H]2CCCN(C(C)=O)C2)C1	ZINC000329204699	824665337	/nfs/dbraw/zinc/66/53/37/824665337.db2.gz	WTWQKIZPTXNMDW-BZSNNMDCSA-N	1	0	366.506	1.344	20	30		FDEDRO
C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@]2(C1)NC(=O)N(C)C2=O	ZINC000329254340	824697408	/nfs/dbraw/zinc/69/74/08/824697408.db2.gz	WUFMHPHAUYFFDI-MOROJQBDSA-N	1	0	365.478	1.097	20	30		FDEDRO
CN1C(=O)N[C@@]2(CCN(C(=O)NC3CC[NH+](C4CCCC4)CC3)C2)C1=O	ZINC000329264910	824702725	/nfs/dbraw/zinc/70/27/25/824702725.db2.gz	FBIIBEBOIOESBR-GOSISDBHSA-N	1	0	363.462	1.138	20	30		FDEDRO
CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCCN3CCNC(=O)C3)C2)CC1	ZINC000329280372	824713955	/nfs/dbraw/zinc/71/39/55/824713955.db2.gz	DQHUVKRXNBKCOD-KRWDZBQOSA-N	1	0	365.522	1.616	20	30		FDEDRO
C[N@@H+]1CCCN(C(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)CC1	ZINC000329314072	824730938	/nfs/dbraw/zinc/73/09/38/824730938.db2.gz	GWVFEWGJHZNMBS-AEFFLSMTSA-N	1	0	357.458	1.438	20	30		FDEDRO
Cn1cc(CN2CCCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)cn1	ZINC000329330644	824740144	/nfs/dbraw/zinc/74/01/44/824740144.db2.gz	LUKHRZHGBHKUKT-QZTJIDSGSA-N	1	0	360.506	1.469	20	30		FDEDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCc1cccnc1OC1CCCC1	ZINC000329345427	824748268	/nfs/dbraw/zinc/74/82/68/824748268.db2.gz	CRYCZLBGGCDEIF-INIZCTEOSA-N	1	0	361.490	1.652	20	30		FDEDRO
CC(C)[C@@H]([NH2+]CC(=O)NC(=O)NC1CCCCC1)C(=O)N1CCOCC1	ZINC000329359894	824754042	/nfs/dbraw/zinc/75/40/42/824754042.db2.gz	GQTYBJSPWABKRS-MRXNPFEDSA-N	1	0	368.478	1.663	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2cnc3c(c2)CCCC3)CC1	ZINC000329361250	824754676	/nfs/dbraw/zinc/75/46/76/824754676.db2.gz	CLFCULZZMDBQMJ-GOSISDBHSA-N	1	0	371.485	1.744	20	30		FDEDRO
CC(C)[C@H](CNC(=O)N1CCOCC2(CCOCC2)C1)N1CCOCC1	ZINC000329364433	824756376	/nfs/dbraw/zinc/75/63/76/824756376.db2.gz	ABEDDRFZYKAPON-KRWDZBQOSA-N	1	0	369.506	1.386	20	30		FDEDRO
Cc1nnc2ccc(C(=O)NC3CC[NH+]([C@@H]4CCN(C)C4=O)CC3)cn12	ZINC000329455113	824804997	/nfs/dbraw/zinc/80/49/97/824804997.db2.gz	PRBQGQHJFOXCSW-OAHLLOKOSA-N	1	0	356.430	1.037	20	30		FDEDRO
COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N(C)C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2	ZINC000329511711	824844447	/nfs/dbraw/zinc/84/44/47/824844447.db2.gz	CCJOVBBMWDMJQZ-JKXDFHQYSA-N	1	0	362.478	1.210	20	30		FDEDRO
C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)C1	ZINC000329557160	824877428	/nfs/dbraw/zinc/87/74/28/824877428.db2.gz	BVQPWLJENXQUEX-ZDUSSCGKSA-N	1	0	359.409	1.860	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000984779363	824883367	/nfs/dbraw/zinc/88/33/67/824883367.db2.gz	QZPNFMHIGSGNTO-ILXVDBEPSA-N	1	0	371.485	1.726	20	30		FDEDRO
COc1nnccc1NC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000329587521	824904569	/nfs/dbraw/zinc/90/45/69/824904569.db2.gz	XIJAPCJGOTWMCG-ZIAGYGMSSA-N	1	0	363.462	1.852	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnc(CC)s2)C1	ZINC000984826168	825032896	/nfs/dbraw/zinc/03/28/96/825032896.db2.gz	MYDUITHJZXFHOE-SYQHCUMBSA-N	1	0	350.488	1.676	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3cnc[nH]c3=O)C[C@@H]2C1	ZINC001088007009	825155378	/nfs/dbraw/zinc/15/53/78/825155378.db2.gz	QMTVMTNWQOVPOO-SJORKVTESA-N	1	0	363.421	1.648	20	30		FDEDRO
CN1CCN(CC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1=O	ZINC000329660757	825255403	/nfs/dbraw/zinc/25/54/03/825255403.db2.gz	OGSCUQOJKUMANY-SFHVURJKSA-N	1	0	358.486	1.772	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c(cc[nH]c4=O)n3)C[C@@H]2C1	ZINC001088017908	825291772	/nfs/dbraw/zinc/29/17/72/825291772.db2.gz	YPYIBVIYMIKZEF-CABCVRRESA-N	1	0	350.422	1.753	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](c3ccnc(N(C)C)n3)C2)CC[N@@H+]1C	ZINC000329680264	825299851	/nfs/dbraw/zinc/29/98/51/825299851.db2.gz	XTYANNHLYGNRGL-IIAWOOMASA-N	1	0	362.478	1.313	20	30		FDEDRO
Cc1c(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)cccc1N1C(=O)N[C@@H](C)C1=O	ZINC000329722121	825382338	/nfs/dbraw/zinc/38/23/38/825382338.db2.gz	NHLOSOOPDXZQAN-XJKSGUPXSA-N	1	0	371.441	1.622	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCS(=O)(=O)C3)C[C@@H]2C1	ZINC001088032273	825462328	/nfs/dbraw/zinc/46/23/28/825462328.db2.gz	HQPVHKDLNZCKSV-ZACQAIPSSA-N	1	0	354.516	1.558	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)CC[N@@H+]1C	ZINC000329819776	825480765	/nfs/dbraw/zinc/48/07/65/825480765.db2.gz	XXEOJFYSQRYNBI-RHSMWYFYSA-N	1	0	362.449	1.980	20	30		FDEDRO
O=C(CN1CCn2ncnc2C1)Nc1cccc(C[NH+]2CCSCC2)c1	ZINC000329946809	825557871	/nfs/dbraw/zinc/55/78/71/825557871.db2.gz	GQCUDJRDSMDUKZ-UHFFFAOYSA-N	1	0	372.498	1.931	20	30		FDEDRO
O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCC1CC[NH+](C2CC2)CC1	ZINC000329966586	825569472	/nfs/dbraw/zinc/56/94/72/825569472.db2.gz	VCBKKZMHPLCTFC-UHFFFAOYSA-N	1	0	356.426	1.933	20	30		FDEDRO
Cn1ccnc1[C@@H]1CN(C(=O)NCC2([NH+](C)C)CCCCC2)CCN1C	ZINC000329997181	825585951	/nfs/dbraw/zinc/58/59/51/825585951.db2.gz	QBIXTLUEKOQBQX-INIZCTEOSA-N	1	0	362.522	1.887	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)nn(C)c1-n1ccnc1C	ZINC000330031186	825606728	/nfs/dbraw/zinc/60/67/28/825606728.db2.gz	SUXCPIPBTAYNQX-OAHLLOKOSA-N	1	0	360.462	1.638	20	30		FDEDRO
O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CC[C@H](N2CCCC2=O)C1	ZINC000330042817	825608772	/nfs/dbraw/zinc/60/87/72/825608772.db2.gz	DWOYVCGCWXVGGJ-INIZCTEOSA-N	1	0	364.490	1.242	20	30		FDEDRO
O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1cnc2n(c1=O)CCS2	ZINC000330098360	825634708	/nfs/dbraw/zinc/63/47/08/825634708.db2.gz	BTHHCLONHFDVKT-UHFFFAOYSA-N	1	0	371.466	1.713	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)C[C@@H]2C1	ZINC001088053330	825643043	/nfs/dbraw/zinc/64/30/43/825643043.db2.gz	DBGNLRPRLHQZKV-CVEARBPZSA-N	1	0	369.469	1.691	20	30		FDEDRO
C[C@H](NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1nnc2n1CCCC2	ZINC000330136177	825666744	/nfs/dbraw/zinc/66/67/44/825666744.db2.gz	NDCDKNGMRICUCK-LSDHHAIUSA-N	1	0	362.478	1.244	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)N2CCO[C@H](C3CC3)C2)CC1	ZINC000330138148	825669338	/nfs/dbraw/zinc/66/93/38/825669338.db2.gz	OEGORCXJBVVUCT-KRWDZBQOSA-N	1	0	359.474	1.358	20	30		FDEDRO
CCO[C@@H]1C[C@@H](NC(=O)N2CCC([N@H+](C)CCO)CC2)C12CCOCC2	ZINC000330152157	825682923	/nfs/dbraw/zinc/68/29/23/825682923.db2.gz	LWOUVYLUAGSGEU-IAGOWNOFSA-N	1	0	369.506	1.263	20	30		FDEDRO
C[C@H](NC(=O)C1CCCC1)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000330168147	825698421	/nfs/dbraw/zinc/69/84/21/825698421.db2.gz	ZTQLEQBCONHXOW-HOCLYGCPSA-N	1	0	364.490	1.287	20	30		FDEDRO
CC(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000330204884	825732087	/nfs/dbraw/zinc/73/20/87/825732087.db2.gz	CZLLVCYFFURDPP-WMZOPIPTSA-N	1	0	366.506	1.202	20	30		FDEDRO
C[C@H]([C@H](C)NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)N1CCOCC1	ZINC000330256595	825769641	/nfs/dbraw/zinc/76/96/41/825769641.db2.gz	KUHJIPDFFPMCEY-IXDOHACOSA-N	1	0	368.522	1.195	20	30		FDEDRO
O=C(N[C@@H]1CCOC2(CCOCC2)C1)N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000330260108	825772015	/nfs/dbraw/zinc/77/20/15/825772015.db2.gz	NXVLGHJNILKFFM-IAGOWNOFSA-N	1	0	367.490	1.283	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCc2cc[nH]c(=O)c2C1	ZINC000330261252	825777588	/nfs/dbraw/zinc/77/75/88/825777588.db2.gz	OZQWJUCACZWOPX-IAGOWNOFSA-N	1	0	360.458	1.437	20	30		FDEDRO
CN(C(=O)[C@@H]1CC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1)c1ccccc1	ZINC000281144895	825892058	/nfs/dbraw/zinc/89/20/58/825892058.db2.gz	PAMWTHBPMKQCIZ-FOIQADDNSA-N	1	0	354.454	1.780	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](F)c1ccccc1)C2	ZINC001112536280	825896602	/nfs/dbraw/zinc/89/66/02/825896602.db2.gz	AOVJHAOANYTOFQ-DSKINZAPSA-N	1	0	371.456	1.665	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+](C)C[C@@H](O)COc2c(OC)cccc2OC)C1=O	ZINC000281476089	825965221	/nfs/dbraw/zinc/96/52/21/825965221.db2.gz	WGTJADFBHPEQDL-CABCVRRESA-N	1	0	364.442	1.162	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1)C(C)C	ZINC000281499982	825972201	/nfs/dbraw/zinc/97/22/01/825972201.db2.gz	KGIUTQIOFWRJLZ-IBGZPJMESA-N	1	0	370.497	1.537	20	30		FDEDRO
CN1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4)CC[C@@H]3C2)C1=O	ZINC001088074152	825987955	/nfs/dbraw/zinc/98/79/55/825987955.db2.gz	DADZNIKZBICLLM-QYZOEREBSA-N	1	0	366.465	1.317	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000984989489	826008053	/nfs/dbraw/zinc/00/80/53/826008053.db2.gz	DBTTVJYIIHPWQI-CGTJXYLNSA-N	1	0	371.485	1.870	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC000984989709	826008634	/nfs/dbraw/zinc/00/86/34/826008634.db2.gz	JSXXVBBQNHRYIO-KSZLIROESA-N	1	0	371.485	1.870	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3cccn3C)[C@@H]2CC)CC1	ZINC000984991860	826030576	/nfs/dbraw/zinc/03/05/76/826030576.db2.gz	FKUZSNOBDPNSLW-ZWKOTPCHSA-N	1	0	370.497	1.480	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CCN[C@]2(CO)CCOc3ccccc32)cc1	ZINC000281691311	826157694	/nfs/dbraw/zinc/15/76/94/826157694.db2.gz	NAQHUTKPDYTUCI-IBGZPJMESA-N	1	0	372.446	1.592	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2CC)cn1	ZINC000985065879	826269217	/nfs/dbraw/zinc/26/92/17/826269217.db2.gz	ORFIZAJSHNJKCE-RBUKOAKNSA-N	1	0	368.481	1.514	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCC[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC001059488887	826392217	/nfs/dbraw/zinc/39/22/17/826392217.db2.gz	DVGYEZUMRPACNX-QILLFSRXSA-N	1	0	371.485	1.585	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4cnc[nH]4)C[C@@H]3C2)cc1F	ZINC001088121068	826498375	/nfs/dbraw/zinc/49/83/75/826498375.db2.gz	MUOMTFBNOJFFKE-SJORKVTESA-N	1	0	367.428	1.943	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H]3C[N@H+](C[C@@H](CC)OC)CC[C@@H]3C2)nn1	ZINC001088135248	826586771	/nfs/dbraw/zinc/58/67/71/826586771.db2.gz	CHWZNVCTQQYPNL-IXDOHACOSA-N	1	0	361.490	1.673	20	30		FDEDRO
Cn1ncc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4F)CC[C@@H]3C2)n1	ZINC001088139647	826642453	/nfs/dbraw/zinc/64/24/53/826642453.db2.gz	XRDDVOXMWKIVGC-ZBFHGGJFSA-N	1	0	368.416	1.420	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C)nc4c3cnn4C)C[C@@H]2C1	ZINC001088153219	826851664	/nfs/dbraw/zinc/85/16/64/826851664.db2.gz	ICHBYURBYGLGNL-CVEARBPZSA-N	1	0	351.454	1.694	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@@H]1CC	ZINC000985220758	826952238	/nfs/dbraw/zinc/95/22/38/826952238.db2.gz	HNXITLMIZMBOGO-SLFFLAALSA-N	1	0	367.493	1.658	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(NC(=O)NC)c3)C[C@@H]2C1	ZINC001088169624	827097660	/nfs/dbraw/zinc/09/76/60/827097660.db2.gz	FLHHEVZSSMMGLK-SJORKVTESA-N	1	0	354.454	1.855	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C(C)(C)NC(C)=O)C[C@H]1C(F)(F)F	ZINC001112179841	827281007	/nfs/dbraw/zinc/28/10/07/827281007.db2.gz	NPNPNRYDKCJEDG-CHWSQXEVSA-N	1	0	365.396	1.083	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)CC[C@@H]2C1	ZINC001088183683	827307024	/nfs/dbraw/zinc/30/70/24/827307024.db2.gz	RCAGVNMCAPLGBS-AABGKKOBSA-N	1	0	365.477	1.221	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3nc4nc(C)cc(C)n4n3)C[C@@H]2C1	ZINC001088190269	827342141	/nfs/dbraw/zinc/34/21/41/827342141.db2.gz	QJICKHBLCPHRSM-CVEARBPZSA-N	1	0	352.442	1.158	20	30		FDEDRO
Cn1nc(CCNC(=[NH2+])N2CCN(c3ncccn3)CC2)c2ccccc21	ZINC000262484696	827383878	/nfs/dbraw/zinc/38/38/78/827383878.db2.gz	IJLBKFYETZQUIY-UHFFFAOYSA-N	1	0	364.457	1.043	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C[C@@H]2C1	ZINC001088196341	827407874	/nfs/dbraw/zinc/40/78/74/827407874.db2.gz	CBFWVOZYJYIRRG-SQNIBIBYSA-N	1	0	357.498	1.581	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN(C(=O)CCC)C3)C[C@@H]2C1	ZINC001088210483	827485625	/nfs/dbraw/zinc/48/56/25/827485625.db2.gz	MXQMMVJPKXENOC-QRVBRYPASA-N	1	0	359.514	1.829	20	30		FDEDRO
CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000843783918	827759826	/nfs/dbraw/zinc/75/98/26/827759826.db2.gz	CFYQPXOKBZSLEZ-VXPUYCOJSA-N	1	0	370.453	1.623	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccc(C#N)c2)C1	ZINC001029757581	827996263	/nfs/dbraw/zinc/99/62/63/827996263.db2.gz	DNDDCXZMHUWQJN-SNRMKQJTSA-N	1	0	357.454	1.642	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1ccc(OCC(=O)NC2CC2)cc1	ZINC000526135221	828849885	/nfs/dbraw/zinc/84/98/85/828849885.db2.gz	HXENGJVWKQSOLW-CQSZACIVSA-N	1	0	370.453	1.557	20	30		FDEDRO
C[C@@H]1OCC[C@]1(O)C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1	ZINC000447924712	828942403	/nfs/dbraw/zinc/94/24/03/828942403.db2.gz	HDXUPDBBJUHCTM-DQLDELGASA-N	1	0	371.481	1.837	20	30		FDEDRO
CN(C(=O)c1cnn(C)c1C#N)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1	ZINC000527252660	829005063	/nfs/dbraw/zinc/00/50/63/829005063.db2.gz	XDNSGXFUYFSERL-ZWKOTPCHSA-N	1	0	372.517	1.701	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCC1)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1	ZINC000527298547	829023405	/nfs/dbraw/zinc/02/34/05/829023405.db2.gz	YBUYYXHJSUVHAP-OKZBNKHCSA-N	1	0	361.534	1.428	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H]3CCN(C(=O)C[C@H]4CCNC4=O)[C@@H]3C2)c(F)c1	ZINC001075875322	829063023	/nfs/dbraw/zinc/06/30/23/829063023.db2.gz	ZEKMPQHBFQJZLD-UWWQBHOKSA-N	1	0	370.428	1.256	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]Cc1nncn1-c1ccccc1	ZINC001168100654	829195093	/nfs/dbraw/zinc/19/50/93/829195093.db2.gz	FPUQWJMVDVIWRM-HKUYNNGSSA-N	1	0	369.469	1.844	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(C#N)[nH]c3C)cn2)CC1	ZINC000448721145	829226726	/nfs/dbraw/zinc/22/67/26/829226726.db2.gz	VCOMWEVMDJWOHF-UHFFFAOYSA-N	1	0	352.442	1.662	20	30		FDEDRO
COCCCn1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cn1	ZINC000528033285	829235404	/nfs/dbraw/zinc/23/54/04/829235404.db2.gz	YWYCCPZCBARRTF-UHFFFAOYSA-N	1	0	369.469	1.995	20	30		FDEDRO
CC1(C#N)CCC([NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)CC1	ZINC000449115637	829375735	/nfs/dbraw/zinc/37/57/35/829375735.db2.gz	MDZSGBGQHROKLI-UHFFFAOYSA-N	1	0	356.474	1.577	20	30		FDEDRO
COC(=O)Cn1cc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)nn1	ZINC000449119593	829379116	/nfs/dbraw/zinc/37/91/16/829379116.db2.gz	AFEDMXRECLUROP-CQSZACIVSA-N	1	0	372.404	1.220	20	30		FDEDRO
CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@@H](O)COc3ccccc3C#N)[C@@H]2C1	ZINC000528500707	829428182	/nfs/dbraw/zinc/42/81/82/829428182.db2.gz	CRHZIZMLXRFNEG-MANSERQUSA-N	1	0	357.454	1.535	20	30		FDEDRO
CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@@H](O)COc3ccccc3C#N)[C@H]2C1	ZINC000528500715	829428409	/nfs/dbraw/zinc/42/84/09/829428409.db2.gz	CRHZIZMLXRFNEG-RDGPPVDQSA-N	1	0	357.454	1.535	20	30		FDEDRO
Cn1nccc1[C@H](O)C1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1	ZINC000528563380	829447052	/nfs/dbraw/zinc/44/70/52/829447052.db2.gz	AYCGNRJTIHZNIM-YLJYHZDGSA-N	1	0	370.453	1.477	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH+]1CCC(Cc2nc(CCOC)no2)CC1	ZINC000528624975	829484858	/nfs/dbraw/zinc/48/48/58/829484858.db2.gz	WMOFKAOOVAIJHQ-UHFFFAOYSA-N	1	0	364.490	1.938	20	30		FDEDRO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)Cc1ccc(C#N)nc1	ZINC000528648342	829500518	/nfs/dbraw/zinc/50/05/18/829500518.db2.gz	LJMXCPPXRZGCGZ-QGZVFWFLSA-N	1	0	363.465	1.823	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1	ZINC000449579080	829565577	/nfs/dbraw/zinc/56/55/77/829565577.db2.gz	WWAJTPBAJWMSCM-MJGOQNOKSA-N	1	0	357.454	1.628	20	30		FDEDRO
C#CCCN1CCN(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3CCC)CC2)CC1	ZINC000985828813	829795958	/nfs/dbraw/zinc/79/59/58/829795958.db2.gz	YSAJGLWKPKAKLI-QZTJIDSGSA-N	1	0	360.502	1.328	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3CC[NH2+]C34CCC4)C2=O)cc1	ZINC000529319506	829827333	/nfs/dbraw/zinc/82/73/33/829827333.db2.gz	AMYQQDISAGFZSY-DLBZAZTESA-N	1	0	367.453	1.243	20	30		FDEDRO
N#C[C@H]1CN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CCN1Cc1ccccc1	ZINC000529358908	829844448	/nfs/dbraw/zinc/84/44/48/829844448.db2.gz	JAQONCGGCPHMTI-ZWKOTPCHSA-N	1	0	353.470	1.691	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1	ZINC000729811838	837407151	/nfs/dbraw/zinc/40/71/51/837407151.db2.gz	DOLPJPCSFHSNKJ-DZGCQCFKSA-N	1	0	362.376	1.959	20	30		FDEDRO
O=C1CC[C@@H]2CN(C(NCCc3ccco3)=[NH+]C[C@H]3CCCCO3)CCN12	ZINC000262671394	829999540	/nfs/dbraw/zinc/99/95/40/829999540.db2.gz	POHBNNPGQWBBJQ-SJLPKXTDSA-N	1	0	374.485	1.643	20	30		FDEDRO
Cc1nn(C)c(N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)c1C#N	ZINC000450821262	830144401	/nfs/dbraw/zinc/14/44/01/830144401.db2.gz	MNKFKKRZDRZPAV-UHFFFAOYSA-N	1	0	352.486	1.854	20	30		FDEDRO
Cn1c(N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)c(C#N)c(=O)n(C)c1=O	ZINC000450874785	830160552	/nfs/dbraw/zinc/16/05/52/830160552.db2.gz	GIXJVAIGDBNMJG-UHFFFAOYSA-N	1	0	361.490	1.292	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C1	ZINC000985982657	830238511	/nfs/dbraw/zinc/23/85/11/830238511.db2.gz	HKYUZHXYFPBVCR-INMHGKMJSA-N	1	0	369.469	1.291	20	30		FDEDRO
CCOC(=O)[C@H]1C[N@H+](CCOc2ccc(C#N)cc2OC)CC12COC2	ZINC000451131626	830268958	/nfs/dbraw/zinc/26/89/58/830268958.db2.gz	HKZGOZNVKPGOJQ-OAHLLOKOSA-N	1	0	360.410	1.457	20	30		FDEDRO
Cc1nc(NC(=O)C2CC[NH+](C3CC3)CC2)n(-c2ccc(C#N)cc2)n1	ZINC000783674445	830285761	/nfs/dbraw/zinc/28/57/61/830285761.db2.gz	VGNMIZYVZLGHOW-UHFFFAOYSA-N	1	0	350.426	1.682	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F	ZINC000451597129	830404683	/nfs/dbraw/zinc/40/46/83/830404683.db2.gz	HFCWPAJGOWJJPJ-XWIASGKRSA-N	1	0	371.359	1.480	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)CC1	ZINC000451617629	830410772	/nfs/dbraw/zinc/41/07/72/830410772.db2.gz	USWSVXSDQFZKOK-BJLQDIEVSA-N	1	0	362.518	1.065	20	30		FDEDRO
CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000451785008	830444047	/nfs/dbraw/zinc/44/40/47/830444047.db2.gz	OOCKBNZGAUURHQ-IKGGRYGDSA-N	1	0	364.490	1.000	20	30		FDEDRO
N#CCSCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCN1CCCC1=O)C2	ZINC001111602803	830463248	/nfs/dbraw/zinc/46/32/48/830463248.db2.gz	QTFVQGGQVPFHET-YJBOKZPZSA-N	1	0	364.515	1.226	20	30		FDEDRO
CC(C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1)[NH+]1CCCC1	ZINC000986085390	830623336	/nfs/dbraw/zinc/62/33/36/830623336.db2.gz	RIPOIRNFDLOGHO-SVFBPWRDSA-N	1	0	371.525	1.827	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](C(=O)NC[C@H]3CCC[N@H+]3CCCO)C2)c(F)c1	ZINC000452361912	830633656	/nfs/dbraw/zinc/63/36/56/830633656.db2.gz	KKRFYFKKXSNZBR-IAGOWNOFSA-N	1	0	374.460	1.487	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1	ZINC000531319865	830691832	/nfs/dbraw/zinc/69/18/32/830691832.db2.gz	AGRRXDYRHJJQBV-INIZCTEOSA-N	1	0	358.442	1.014	20	30		FDEDRO
C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2cccc(CC#N)c2)C[C@H](C)O1	ZINC000453595173	830952063	/nfs/dbraw/zinc/95/20/63/830952063.db2.gz	VJVMFDZECBVVMV-GJZGRUSLSA-N	1	0	358.442	1.307	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)ccc1C#N	ZINC000453598704	830953156	/nfs/dbraw/zinc/95/31/56/830953156.db2.gz	AVJYZEHQCWTDLS-BFUOFWGJSA-N	1	0	357.458	1.827	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)ccc1C#N	ZINC000453570192	830954056	/nfs/dbraw/zinc/95/40/56/830954056.db2.gz	DCIBLOHBGUXAIQ-QGZVFWFLSA-N	1	0	365.437	1.489	20	30		FDEDRO
C[N@H+](CCNC(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)C1CC1	ZINC000453645848	830980886	/nfs/dbraw/zinc/98/08/86/830980886.db2.gz	PHFATPFONQCJNI-UHFFFAOYSA-N	1	0	358.442	1.884	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)NCCCCC[NH+]2CCCCC2)ccc1C#N	ZINC000453667150	830997033	/nfs/dbraw/zinc/99/70/33/830997033.db2.gz	GXWFUPFUUYMBHM-UHFFFAOYSA-N	1	0	357.458	1.973	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)C[NH+](C)C	ZINC000453767878	831062534	/nfs/dbraw/zinc/06/25/34/831062534.db2.gz	TUVWLCVFZPCZBQ-ZDUSSCGKSA-N	1	0	360.458	1.988	20	30		FDEDRO
CC1CC(C#N)(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1	ZINC000532328167	831141583	/nfs/dbraw/zinc/14/15/83/831141583.db2.gz	LGBSPDOPCQPNQI-UHFFFAOYSA-N	1	0	356.474	1.435	20	30		FDEDRO
C#CCN1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1	ZINC001029921452	831225326	/nfs/dbraw/zinc/22/53/26/831225326.db2.gz	IQGUXTOCJPVZLA-CEXWTWQISA-N	1	0	369.465	1.146	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCOc2ccccc21)N1CCN(C2CC2)C(=O)C1	ZINC000262752474	831251951	/nfs/dbraw/zinc/25/19/51/831251951.db2.gz	AEOQATGOMXHFHQ-HNNXBMFYSA-N	1	0	356.470	1.825	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccnn2C)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088489840	831335624	/nfs/dbraw/zinc/33/56/24/831335624.db2.gz	TYOVEVCGHILRGQ-PBHICJAKSA-N	1	0	353.426	1.715	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)C=C(C)C)C[C@H]3C2)CC1	ZINC000986244746	831353708	/nfs/dbraw/zinc/35/37/08/831353708.db2.gz	AHJPAIOGSIMPTQ-MOPGFXCFSA-N	1	0	357.498	1.605	20	30		FDEDRO
C[NH+]=C(NCCc1c(C)noc1C)N[C@@H]1CCCN(c2cnn(C)c2)C1	ZINC000262769472	831354627	/nfs/dbraw/zinc/35/46/27/831354627.db2.gz	IILYPYUXVKYBNM-OAHLLOKOSA-N	1	0	359.478	1.401	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CCC3CCC3)C[C@H]2C1	ZINC000986309273	831466191	/nfs/dbraw/zinc/46/61/91/831466191.db2.gz	NCFUGXCFBISMCI-AABGKKOBSA-N	1	0	371.525	1.971	20	30		FDEDRO
C[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)CC[C@@H]3C2)CC1	ZINC000986332605	831499756	/nfs/dbraw/zinc/49/97/56/831499756.db2.gz	IPILPKGDHGLLPA-CVEARBPZSA-N	1	0	369.469	1.149	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2nccnc2N)CCN1Cc1ccc(C#N)cc1F	ZINC001088497797	831817443	/nfs/dbraw/zinc/81/74/43/831817443.db2.gz	RHOANWHMNXQOMD-ABAIWWIYSA-N	1	0	354.389	1.462	20	30		FDEDRO
C#Cc1cncc(C(=O)NCC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC001059731958	832046763	/nfs/dbraw/zinc/04/67/63/832046763.db2.gz	GPWNFMPIQGEYBU-SZVBFZGTSA-N	1	0	368.481	1.372	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@H]3C2)C1	ZINC000986638387	832131461	/nfs/dbraw/zinc/13/14/61/832131461.db2.gz	WWAJYAOKJVLWEI-SJORKVTESA-N	1	0	357.498	1.745	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H](CC)OC)C1	ZINC001112215362	832368930	/nfs/dbraw/zinc/36/89/30/832368930.db2.gz	BKDDXGGDJLQGKX-MGPQQGTHSA-N	1	0	352.397	1.983	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCCOC)C1	ZINC001112217664	832415921	/nfs/dbraw/zinc/41/59/21/832415921.db2.gz	RINPFQGZOIXSSE-BFHYXJOUSA-N	1	0	352.397	1.983	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1Cc1nnc(-c2ccco2)o1	ZINC001088529826	832461364	/nfs/dbraw/zinc/46/13/64/832461364.db2.gz	PRNIKPXSHHUPEP-YPMHNXCESA-N	1	0	366.381	1.922	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)CC=C)C2	ZINC001112536970	832546009	/nfs/dbraw/zinc/54/60/09/832546009.db2.gz	JIUWTIMOGBWLGT-WWMYMODYSA-N	1	0	359.514	1.945	20	30		FDEDRO
C=C(Br)CN1C[C@@H]2CCN(C(=O)Cc3cn(C)nc3C)[C@@H]2C1	ZINC001075890998	833486126	/nfs/dbraw/zinc/48/61/26/833486126.db2.gz	DJLBHOSHZMAMPG-DZGCQCFKSA-N	1	0	367.291	1.712	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C)C1	ZINC000987620146	833497791	/nfs/dbraw/zinc/49/77/91/833497791.db2.gz	FCUDRJBJLDFXOC-VYDXJSESSA-N	1	0	371.485	1.583	20	30		FDEDRO
CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NCc2cccc(C#N)c2)CC1	ZINC000897434625	833648615	/nfs/dbraw/zinc/64/86/15/833648615.db2.gz	XAOCKAOAYOAVEL-UHFFFAOYSA-N	1	0	354.454	1.651	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC000987951728	833836355	/nfs/dbraw/zinc/83/63/55/833836355.db2.gz	FDWLDUKGFHNYAF-CJNGLKHVSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C	ZINC000988279228	834301281	/nfs/dbraw/zinc/30/12/81/834301281.db2.gz	RZXOVSDOOZPMKG-QZWWFDLISA-N	1	0	361.486	1.169	20	30		FDEDRO
C=C(CC)CNC(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1	ZINC000454039541	834500992	/nfs/dbraw/zinc/50/09/92/834500992.db2.gz	IXZPRRJIPKSRTN-UHFFFAOYSA-N	1	0	360.458	1.988	20	30		FDEDRO
C=C(Br)CN1CC[C@H](NC(=O)Cn2cccc(C)c2=O)[C@H]1C	ZINC001088564641	834708194	/nfs/dbraw/zinc/70/81/94/834708194.db2.gz	CKUFGQCBIVWJRJ-KGLIPLIRSA-N	1	0	368.275	1.644	20	30		FDEDRO
CN1CC[NH+](CC2CCN(C(=O)NCc3ccc(C#N)cc3F)CC2)CC1	ZINC000192177434	837812952	/nfs/dbraw/zinc/81/29/52/837812952.db2.gz	ROGSGJCZEPYBJC-UHFFFAOYSA-N	1	0	373.476	1.866	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088574439	834947380	/nfs/dbraw/zinc/94/73/80/834947380.db2.gz	VRHJWDYNMPNKDS-KJWYOANISA-N	1	0	354.454	1.552	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000897476163	834972679	/nfs/dbraw/zinc/97/26/79/834972679.db2.gz	LMEWUBABRLKHSA-AWEZNQCLSA-N	1	0	372.473	1.740	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)n(CCC#N)n1	ZINC000532996762	835613303	/nfs/dbraw/zinc/61/33/03/835613303.db2.gz	UPHGFDJPPQSRMN-GJZGRUSLSA-N	1	0	360.462	1.423	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCc2scnc2C)C[C@H]1OC	ZINC001211995090	836034914	/nfs/dbraw/zinc/03/49/14/836034914.db2.gz	UCZANVCMZYGJJY-ARFHVFGLSA-N	1	0	367.515	1.791	20	30		FDEDRO
CC1(C)CC(C(=O)N[C@@H]2CN(Cc3ccc(OCC#N)cc3)C[C@@H]2O)C1	ZINC001083441638	836151809	/nfs/dbraw/zinc/15/18/09/836151809.db2.gz	YCTFMOZLAATAMU-MSOLQXFVSA-N	1	0	357.454	1.686	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](CCc2ccc(Cl)cc2)C[C@H]1OC	ZINC001212032058	836344427	/nfs/dbraw/zinc/34/44/27/836344427.db2.gz	HRZLADZCNUHVDA-IAGOWNOFSA-N	1	0	352.862	1.901	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@H]1OC	ZINC001212032038	836344961	/nfs/dbraw/zinc/34/49/61/836344961.db2.gz	GVARCIUIVNUPMS-QZTJIDSGSA-N	1	0	354.491	1.601	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](C[C@H](Cc2ccccc2)OC)C[C@H]1OC	ZINC001212032241	836346514	/nfs/dbraw/zinc/34/65/14/836346514.db2.gz	QVTHRJWSGQAJQO-IPMKNSEASA-N	1	0	362.470	1.262	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3[nH]cnc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105669235	844158576	/nfs/dbraw/zinc/15/85/76/844158576.db2.gz	QGWVITFTLRQJGS-ZTRFORPCSA-N	1	0	358.486	1.575	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cccn2CC=C)[C@@H]1C	ZINC000988733483	836906196	/nfs/dbraw/zinc/90/61/96/836906196.db2.gz	FAUFTPDWENDCQP-SQNIBIBYSA-N	1	0	368.481	1.491	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1	ZINC000938027816	836991541	/nfs/dbraw/zinc/99/15/41/836991541.db2.gz	CVMGVOCYWHEPHS-ULQDDVLXSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1	ZINC000938034110	837066708	/nfs/dbraw/zinc/06/67/08/837066708.db2.gz	QSZIOYBMYCFAHJ-BBWFWOEESA-N	1	0	363.502	1.559	20	30		FDEDRO
N#CCSCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC[C@H]2CCOC2)C1	ZINC001112264446	844292882	/nfs/dbraw/zinc/29/28/82/844292882.db2.gz	IXVVCQMGKCOOJX-BQFCYCMXSA-N	1	0	351.516	1.888	20	30		FDEDRO
CCn1nncc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CSCC#N)C2	ZINC001112264452	844295130	/nfs/dbraw/zinc/29/51/30/844295130.db2.gz	JEYBPSVGPYFFLO-YOEHRIQHSA-N	1	0	362.503	1.273	20	30		FDEDRO
Cc1nccnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CSCC#N)C2	ZINC001112264644	844295848	/nfs/dbraw/zinc/29/58/48/844295848.db2.gz	MQSHOERFXWQSBF-YJBOKZPZSA-N	1	0	359.499	1.760	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC000989117407	838368513	/nfs/dbraw/zinc/36/85/13/838368513.db2.gz	FQGRZAIHRBNGJH-PXAZEXFGSA-N	1	0	362.393	1.567	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1	ZINC000271844317	838420216	/nfs/dbraw/zinc/42/02/16/838420216.db2.gz	VEOVIBXYTBQXHS-STQMWFEESA-N	1	0	360.414	1.694	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1	ZINC000272331163	838433823	/nfs/dbraw/zinc/43/38/23/838433823.db2.gz	NCJRXZHWSNLWEQ-RHSMWYFYSA-N	1	0	370.453	1.094	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C)cn1	ZINC000989163822	838546377	/nfs/dbraw/zinc/54/63/77/838546377.db2.gz	GXTXTYLZYJGZTN-APWZRJJASA-N	1	0	368.481	1.658	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@@H]1C	ZINC000989192096	838649229	/nfs/dbraw/zinc/64/92/29/838649229.db2.gz	ZACGKOLTHKKXEI-MNEFBYGVSA-N	1	0	353.466	1.268	20	30		FDEDRO
C=C(C)CN(C)C(=O)C(=O)N(Cc1ccncc1)C[C@H]1CCC[N@H+]1CC	ZINC000460029156	839232551	/nfs/dbraw/zinc/23/25/51/839232551.db2.gz	NGKHLMKUTGIEPE-GOSISDBHSA-N	1	0	358.486	1.929	20	30		FDEDRO
Cc1nsc(N2CCC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1C#N	ZINC001059968462	839525306	/nfs/dbraw/zinc/52/53/06/839525306.db2.gz	GACKBQPJSAHSIG-QLFBSQMISA-N	1	0	361.515	1.996	20	30		FDEDRO
N=C(Nc1ccc(S(=O)(=O)C2CC[NH2+]CC2)cc1)c1nccs1	ZINC001168279808	839711324	/nfs/dbraw/zinc/71/13/24/839711324.db2.gz	XGPRZZKHUZFTOL-UHFFFAOYSA-N	1	0	350.469	1.706	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(CCC([NH2+]CCOC)CC2)C1	ZINC001105482148	839778658	/nfs/dbraw/zinc/77/86/58/839778658.db2.gz	WBCCOTATHSASQZ-ISXWCOSWSA-N	1	0	352.475	1.354	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-n3ccnc3)nc2)c1C#N	ZINC000760309875	839781716	/nfs/dbraw/zinc/78/17/16/839781716.db2.gz	VBEDHOROFGZWCJ-UHFFFAOYSA-N	1	0	350.386	1.266	20	30		FDEDRO
C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCC1	ZINC001105560892	839971710	/nfs/dbraw/zinc/97/17/10/839971710.db2.gz	FIZZPTQGLLJKGP-GVDBMIGSSA-N	1	0	361.486	1.184	20	30		FDEDRO
CCN1c2ccccc2C(=NNC(=S)NCC2CC[NH+](C)CC2)C1=O	ZINC000760466192	839984706	/nfs/dbraw/zinc/98/47/06/839984706.db2.gz	NWLGABBCTBXIPM-UHFFFAOYSA-N	1	0	359.499	1.563	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C3CCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105585413	839994446	/nfs/dbraw/zinc/99/44/46/839994446.db2.gz	OZFCTYYZOVOPGO-ZTRFORPCSA-N	1	0	363.502	1.055	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3CCCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105585328	839994761	/nfs/dbraw/zinc/99/47/61/839994761.db2.gz	ODGRSFXTJUSKBI-XCJLJZCSSA-N	1	0	362.514	1.793	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3CCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105585411	839994771	/nfs/dbraw/zinc/99/47/71/839994771.db2.gz	OZFCTYYZOVOPGO-HBXLWWENSA-N	1	0	363.502	1.055	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(F)F)[C@H]2C(C)C)C[C@H]1O	ZINC001105585875	840043354	/nfs/dbraw/zinc/04/33/54/840043354.db2.gz	XSKOEUAMDLLSFG-ZXFNITATSA-N	1	0	360.445	1.810	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(C)c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105594325	840532342	/nfs/dbraw/zinc/53/23/42/840532342.db2.gz	OWRCLRLDGZWIIV-MLYOOKFZSA-N	1	0	360.502	1.884	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCSC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105598797	840780440	/nfs/dbraw/zinc/78/04/40/840780440.db2.gz	XCQMCLBXQDPJPT-PSBWJHGTSA-N	1	0	370.559	1.908	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn[nH]c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105600461	841011135	/nfs/dbraw/zinc/01/11/35/841011135.db2.gz	HUZFAKIKTLFFLZ-YWTNHNAXSA-N	1	0	362.474	1.192	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CSCC#N)[C@H]2C(C)C)C[C@H]1O	ZINC001105601325	841031230	/nfs/dbraw/zinc/03/12/30/841031230.db2.gz	WIRGRSBRFCHROB-XYVMCAHJSA-N	1	0	351.516	1.785	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)[C@H]2C)nc1	ZINC000989482300	841037277	/nfs/dbraw/zinc/03/72/77/841037277.db2.gz	NKXOIVCCXKGYER-AEFFLSMTSA-N	1	0	368.481	1.514	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000989483049	841040610	/nfs/dbraw/zinc/04/06/10/841040610.db2.gz	ZNNRHEQDQYPAMU-ZBFHGGJFSA-N	1	0	357.458	1.337	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCN(c2cccc(C#N)n2)CC1	ZINC000760510953	841093424	/nfs/dbraw/zinc/09/34/24/841093424.db2.gz	UCCKZVUTOURQPB-INIZCTEOSA-N	1	0	358.515	1.434	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnc(F)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105603583	841177362	/nfs/dbraw/zinc/17/73/62/841177362.db2.gz	MHILRAJGYGXUKY-QQTQMKHKSA-N	1	0	359.445	1.824	20	30		FDEDRO
C=CCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NCC=C)C2)[C@@H]1C(C)C	ZINC001105604681	841184573	/nfs/dbraw/zinc/18/45/73/841184573.db2.gz	WHHOUGNCRUMYOY-YKCBXCCJSA-N	1	0	363.502	1.221	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCC(=O)NCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105606141	841203278	/nfs/dbraw/zinc/20/32/78/841203278.db2.gz	AJKAXEQQHXLALO-YKCBXCCJSA-N	1	0	365.518	1.445	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cc(C)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105606399	841205442	/nfs/dbraw/zinc/20/54/42/841205442.db2.gz	CLCKKPODEIGRIQ-JYBIWHBTSA-N	1	0	358.486	1.181	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCOCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105607454	841226848	/nfs/dbraw/zinc/22/68/48/841226848.db2.gz	RSZWQSMMBPWIOO-LFGUQSLTSA-N	1	0	368.518	1.582	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(CC)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105607682	841232616	/nfs/dbraw/zinc/23/26/16/841232616.db2.gz	VSFNWGXWXCSSTL-XSYGEPLQSA-N	1	0	358.486	1.506	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)C3(C)CC(=C)C3)[C@H]2C)CC1	ZINC000989789239	841477906	/nfs/dbraw/zinc/47/79/06/841477906.db2.gz	KMZYTSZXIGSHNB-AEFFLSMTSA-N	1	0	357.498	1.794	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C)nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105610127	841559277	/nfs/dbraw/zinc/55/92/77/841559277.db2.gz	IEOZODUXBPDSOA-MLYOOKFZSA-N	1	0	358.486	1.332	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C)nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105611034	841750592	/nfs/dbraw/zinc/75/05/92/841750592.db2.gz	OMEVDBJERISJBL-MLYOOKFZSA-N	1	0	360.502	1.884	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)[C@H]2C)cn1	ZINC000990001990	841783452	/nfs/dbraw/zinc/78/34/52/841783452.db2.gz	OAMOKYPVTDVFJW-RKVPGOIHSA-N	1	0	354.454	1.124	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CCN1C(=O)C#CC1CC1	ZINC000990006544	841808222	/nfs/dbraw/zinc/80/82/22/841808222.db2.gz	WHEBWHMVWPRZEY-IIMJZQEZSA-N	1	0	363.477	1.718	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCCCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105612248	841977863	/nfs/dbraw/zinc/97/78/63/841977863.db2.gz	YVBSLIOQVAJWGX-JYBIWHBTSA-N	1	0	350.503	1.793	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H](CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC001060026615	842110706	/nfs/dbraw/zinc/11/07/06/842110706.db2.gz	KQFHZYGXQKAQEB-GPMSIDNRSA-N	1	0	368.481	1.372	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CNC(=O)CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105614436	842227616	/nfs/dbraw/zinc/22/76/16/842227616.db2.gz	HGSNFLSLJKPEET-RGCFKVTRSA-N	1	0	351.491	1.055	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCC(=O)NC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619025	842235253	/nfs/dbraw/zinc/23/52/53/842235253.db2.gz	DTRHESRPOVBWIZ-SMOSDQRPSA-N	1	0	365.518	1.445	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(=O)NCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105620244	842242502	/nfs/dbraw/zinc/24/25/02/842242502.db2.gz	YNAIXPLHENYGNN-YKCBXCCJSA-N	1	0	365.518	1.445	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCOCC)C2)[C@@H]1C(C)C	ZINC001105622583	842248155	/nfs/dbraw/zinc/24/81/55/842248155.db2.gz	DFASILYVQZXJOL-IZBJGVDFSA-N	1	0	350.503	1.793	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnnn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105622725	842248294	/nfs/dbraw/zinc/24/82/94/842248294.db2.gz	GHWZMJNXAGCVII-VYCZESIESA-N	1	0	361.490	1.361	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(C)(C)O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105622786	842248964	/nfs/dbraw/zinc/24/89/64/842248964.db2.gz	HSHUHQNNBOMUTH-CIWUYKSXSA-N	1	0	368.518	1.316	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(=O)NCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105623217	842250459	/nfs/dbraw/zinc/25/04/59/842250459.db2.gz	OFGFEKJJMREXEP-KNCCTNLNSA-N	1	0	371.909	1.231	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccnn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105623572	842252448	/nfs/dbraw/zinc/25/24/48/842252448.db2.gz	RPMPJIXBMLUYIE-JYBIWHBTSA-N	1	0	360.502	1.505	20	30		FDEDRO
COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C#CC(C)(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105626502	842257062	/nfs/dbraw/zinc/25/70/62/842257062.db2.gz	CEADSAXFFJYGDR-HBXLWWENSA-N	1	0	350.503	1.648	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(C)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105626768	842257976	/nfs/dbraw/zinc/25/79/76/842257976.db2.gz	HJCRFXLUAIXVEF-WWNBULGVSA-N	1	0	350.503	1.955	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3c[nH]cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637241	842271232	/nfs/dbraw/zinc/27/12/32/842271232.db2.gz	LWEAXSPLDDNMIH-LFGUQSLTSA-N	1	0	358.486	1.332	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH]nc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105638017	842275248	/nfs/dbraw/zinc/27/52/48/842275248.db2.gz	YSRIGMDRBLCJHF-XSYGEPLQSA-N	1	0	358.486	1.575	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@@H]1C(C)C	ZINC001105632256	842279925	/nfs/dbraw/zinc/27/99/25/842279925.db2.gz	JYXOGDFEEADRSO-VVWQDTPRSA-N	1	0	351.491	1.055	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccncc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105634110	842284321	/nfs/dbraw/zinc/28/43/21/842284321.db2.gz	ZKWKQVYNBDWLBT-KRXUUXHPSA-N	1	0	369.509	1.922	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cncc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105642075	842302157	/nfs/dbraw/zinc/30/21/57/842302157.db2.gz	HMMOCUBUUJEPLT-HNBVOPMISA-N	1	0	358.486	1.181	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3coc(OC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105643303	842335049	/nfs/dbraw/zinc/33/50/49/842335049.db2.gz	WPGLOGBAMCJFDO-JNNRSPCRSA-N	1	0	361.442	1.286	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(OC)ccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105645378	842393528	/nfs/dbraw/zinc/39/35/28/842393528.db2.gz	AFRIVGRCVWMTBL-BNDYYXHWSA-N	1	0	371.481	1.693	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)[C@@H](O)C1	ZINC001083468161	842413731	/nfs/dbraw/zinc/41/37/31/842413731.db2.gz	KSVPBHBNJQMHJF-TVFCKZIOSA-N	1	0	358.486	1.281	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCF)[C@@H]2C(C)C)C[C@H]1O	ZINC001105653451	842454839	/nfs/dbraw/zinc/45/48/39/842454839.db2.gz	VBWLYKLQJXVHQC-PSBWJHGTSA-N	1	0	356.482	1.905	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C)c(=O)[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105656801	842488397	/nfs/dbraw/zinc/48/83/97/842488397.db2.gz	UAGYIIKCRHVTBB-NVQRDWNXSA-N	1	0	362.474	1.282	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(CF)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105657728	842494946	/nfs/dbraw/zinc/49/49/46/842494946.db2.gz	APRVQSFXHOZJTP-VIPLHTEESA-N	1	0	368.493	1.905	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(Cc2cc(F)ccc2C)C[C@@H]1O	ZINC001083470595	842632406	/nfs/dbraw/zinc/63/24/06/842632406.db2.gz	BDFJWMBDCBDHDC-YRXWBPOGSA-N	1	0	362.445	1.777	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCCCN2C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC000990525356	842658674	/nfs/dbraw/zinc/65/86/74/842658674.db2.gz	YXAUIKZTOIJUKW-FHLIZLRMSA-N	1	0	371.485	1.680	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)NC(C)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105661253	842680724	/nfs/dbraw/zinc/68/07/24/842680724.db2.gz	GIJSXDQLGUVMPD-PDOICOKGSA-N	1	0	365.518	1.443	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncccc3F)[C@H]2C(C)C)C[C@H]1O	ZINC001105661370	842690223	/nfs/dbraw/zinc/69/02/23/842690223.db2.gz	IDQZKYLRLSCUNM-HBXLWWENSA-N	1	0	359.445	1.824	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(C)CCOCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105661638	842708777	/nfs/dbraw/zinc/70/87/77/842708777.db2.gz	KPSKYIWNPUTMBI-IKVWTGGYSA-N	1	0	362.514	1.793	20	30		FDEDRO
Cn1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)cc1=O	ZINC001075958747	842803333	/nfs/dbraw/zinc/80/33/33/842803333.db2.gz	USZBZROFYHNBIY-RBUKOAKNSA-N	1	0	362.433	1.603	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(=O)N(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105663390	842810407	/nfs/dbraw/zinc/81/04/07/842810407.db2.gz	SNTNJJCEQQNDFU-KNCCTNLNSA-N	1	0	371.909	1.183	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCn3cncn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105666138	843078568	/nfs/dbraw/zinc/07/85/68/843078568.db2.gz	CXKMUHFYNKYJSH-ZAWLATJESA-N	1	0	361.490	1.210	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N[C@@H]2CCC[C@H]2C#N)CC1	ZINC000461952684	843248799	/nfs/dbraw/zinc/24/87/99/843248799.db2.gz	GMWFKWCXONKEGT-JKSUJKDBSA-N	1	0	363.506	1.605	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ncc[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105666702	843296078	/nfs/dbraw/zinc/29/60/78/843296078.db2.gz	ILTYPMHQKBOYON-YKCBXCCJSA-N	1	0	360.502	1.885	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc(OC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105667225	843545622	/nfs/dbraw/zinc/54/56/22/843545622.db2.gz	PSJSGICKBUDYAY-REHHDOPLSA-N	1	0	371.481	1.693	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC(=O)CC2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088772892	843694088	/nfs/dbraw/zinc/69/40/88/843694088.db2.gz	ONURNVHJDXEBQR-OLMNPRSZSA-N	1	0	354.454	1.554	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCCC(N)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105668024	843748989	/nfs/dbraw/zinc/74/89/89/843748989.db2.gz	VXHPRAXYYFANCJ-LTDCPUDJSA-N	1	0	351.491	1.184	20	30		FDEDRO
Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCc2ccc(C#N)cc21	ZINC000480353339	845077483	/nfs/dbraw/zinc/07/74/83/845077483.db2.gz	HDQLTHSGXGCKQU-UHFFFAOYSA-N	1	0	373.482	1.685	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)CC1	ZINC000245915583	845086626	/nfs/dbraw/zinc/08/66/26/845086626.db2.gz	KUPSMAKQHVPQNI-QZTJIDSGSA-N	1	0	361.534	1.429	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCC(N)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105673525	845398230	/nfs/dbraw/zinc/39/82/30/845398230.db2.gz	MNMXEWXXQJGJAI-YKCBXCCJSA-N	1	0	365.518	1.574	20	30		FDEDRO
O=C(NC[C@H]1C[NH2+]CCO1)C(=O)Nc1cccc(C#Cc2cccs2)c1	ZINC000667698239	845422270	/nfs/dbraw/zinc/42/22/70/845422270.db2.gz	MRKKTSLLRKOGQK-MRXNPFEDSA-N	1	0	369.446	1.191	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCOC(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105674592	845506438	/nfs/dbraw/zinc/50/64/38/845506438.db2.gz	ZURHQFMRMFXHGL-LFGUQSLTSA-N	1	0	350.503	1.791	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CCOC(=O)CNS(=O)(=O)c1ccccc1C#N	ZINC000913173582	861587369	/nfs/dbraw/zinc/58/73/69/861587369.db2.gz	IYCJJFSSSCMOAX-HNNXBMFYSA-N	1	0	365.455	1.254	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CNC(=O)C3CCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105675965	845801281	/nfs/dbraw/zinc/80/12/81/845801281.db2.gz	SMYXGAOQAAFFCY-HBXLWWENSA-N	1	0	363.502	1.055	20	30		FDEDRO
C#CC[C@@H]1NC(=O)N(CC2CC[NH+](Cc3ccc(OC)cc3)CC2)C1=O	ZINC000842242111	845884584	/nfs/dbraw/zinc/88/45/84/845884584.db2.gz	ODFXZWLNOAADNN-SFHVURJKSA-N	1	0	355.438	1.851	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4ccc(C)cc4)[C@@H]3C2)C1=O	ZINC001076006971	846444165	/nfs/dbraw/zinc/44/41/65/846444165.db2.gz	BCZOQKXPZGAZRX-XUVXKRRUSA-N	1	0	367.493	1.857	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(C)cc(C)c2)C[C@@H]1O	ZINC001083535433	846904436	/nfs/dbraw/zinc/90/44/36/846904436.db2.gz	QAJMEFKISPNIQR-AABGKKOBSA-N	1	0	355.482	1.062	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(CCC)n[nH]4)[C@@H]3C2)C1=O	ZINC001076113525	847322928	/nfs/dbraw/zinc/32/29/28/847322928.db2.gz	BHTIRGBMNOAGAC-JCGIZDLHSA-N	1	0	371.485	1.295	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](CNc3nccnc3C#N)C2)CC[N@@H+]1C	ZINC001060100864	847344529	/nfs/dbraw/zinc/34/45/29/847344529.db2.gz	JENVDVSYJQGXGJ-YQQAZPJKSA-N	1	0	356.474	1.729	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)CCCOC)C3)C1=O	ZINC001112271059	847566207	/nfs/dbraw/zinc/56/62/07/847566207.db2.gz	YFSPQSJEOJSNST-ZWOKBUDYSA-N	1	0	363.502	1.418	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](O)c4ccccc4)C[C@H]32)c1	ZINC001076223325	847592097	/nfs/dbraw/zinc/59/20/97/847592097.db2.gz	TYQLUOGFFZDRMH-CEWLAPEOSA-N	1	0	361.445	1.943	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3C[N@H+](CC[C@@H]4CCCCO4)C[C@H]32)nn1	ZINC001076336325	847883001	/nfs/dbraw/zinc/88/30/01/847883001.db2.gz	SDJRWVKYAPKLLE-XYJFISCASA-N	1	0	359.474	1.570	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]32)cc1	ZINC001076333704	847909557	/nfs/dbraw/zinc/90/95/57/847909557.db2.gz	IKZNMCMRZVDBMC-VDZJLULYSA-N	1	0	369.465	1.322	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CC[C@H]3C[N@H+](C[C@H]4CCCOC4)C[C@H]32)nn1	ZINC001076345063	847920145	/nfs/dbraw/zinc/92/01/45/847920145.db2.gz	MIIFIBIIYVSXPA-SOLBZPMBSA-N	1	0	359.474	1.427	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4nc(C)oc4C)[C@@H]3C2)C1=O	ZINC001076395464	848037479	/nfs/dbraw/zinc/03/74/79/848037479.db2.gz	XDTQUZGGIKZPGL-ARFHVFGLSA-N	1	0	358.442	1.225	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1	ZINC000938208392	848158212	/nfs/dbraw/zinc/15/82/12/848158212.db2.gz	AXBYDKPXKHVDFK-QGTPRVQTSA-N	1	0	368.437	1.565	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)s1	ZINC001076467964	848195992	/nfs/dbraw/zinc/19/59/92/848195992.db2.gz	XGDUPJGDDZOQRH-WMLDXEAASA-N	1	0	356.495	1.748	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)cc1	ZINC001076617005	848583678	/nfs/dbraw/zinc/58/36/78/848583678.db2.gz	FMBJXOPDBKZEHK-YTQUADARSA-N	1	0	369.465	1.215	20	30		FDEDRO
N#Cc1ccccc1CN1C(=O)CN(C[N@@H+]2CC[C@@]3(CCOC3)C2)C1=O	ZINC000151322788	861938769	/nfs/dbraw/zinc/93/87/69/861938769.db2.gz	OLKVGJFRPHQBCE-LJQANCHMSA-N	1	0	354.410	1.392	20	30		FDEDRO
Cc1ccccc1C(=O)N[C@@H]1CN(Cc2ccc(OCC#N)cc2)C[C@H]1O	ZINC001076698743	848779087	/nfs/dbraw/zinc/77/90/87/848779087.db2.gz	ARDHWQXFYLVZDY-WOJBJXKFSA-N	1	0	365.433	1.873	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1	ZINC001076725187	848851168	/nfs/dbraw/zinc/85/11/68/848851168.db2.gz	HRQCNRVHENIVQT-JYJNAYRXSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)CC[NH+]1CCCCC1	ZINC001076726740	848857796	/nfs/dbraw/zinc/85/77/96/848857796.db2.gz	VLCLROUAJNWXMU-LNLFQRSKSA-N	1	0	365.518	1.855	20	30		FDEDRO
C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(C#N)CC2)C1	ZINC000483097863	849269698	/nfs/dbraw/zinc/26/96/98/849269698.db2.gz	JLKKXOOMJLLCOY-QAPCUYQASA-N	1	0	354.454	1.700	20	30		FDEDRO
COc1cccc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)c1	ZINC001076898673	849283581	/nfs/dbraw/zinc/28/35/81/849283581.db2.gz	URAFVVPUSGPXRN-RTBURBONSA-N	1	0	368.437	1.303	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1	ZINC000483129942	849319749	/nfs/dbraw/zinc/31/97/49/849319749.db2.gz	MUCIHRKEYMJRNL-AEFFLSMTSA-N	1	0	359.470	1.599	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1	ZINC000483276095	849428228	/nfs/dbraw/zinc/42/82/28/849428228.db2.gz	KYPWODUONMIASM-UHFFFAOYSA-N	1	0	374.441	1.075	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C(CC)CC)C2)C1	ZINC001077083646	849705721	/nfs/dbraw/zinc/70/57/21/849705721.db2.gz	BYEMSYBJEBOHPJ-USXIJHARSA-N	1	0	351.491	1.151	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](CCc2ccc(OC)cc2)C[C@H]1O	ZINC001077138861	849873229	/nfs/dbraw/zinc/87/32/29/849873229.db2.gz	QTOZFSNBRQUPTM-UYAOXDASSA-N	1	0	369.465	1.700	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H](CC)[NH+](C)C	ZINC001077152276	849942375	/nfs/dbraw/zinc/94/23/75/849942375.db2.gz	LKAGFXVDLOLJQV-NXOAAHMSSA-N	1	0	353.507	1.709	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCCN2c2cncc(C#N)n2)CC[N@@H+]1C	ZINC001060184423	851376807	/nfs/dbraw/zinc/37/68/07/851376807.db2.gz	FUWKXOVPOAYSLT-IXDOHACOSA-N	1	0	356.474	1.554	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1	ZINC000904958150	851552075	/nfs/dbraw/zinc/55/20/75/851552075.db2.gz	FBBOHTDUTVZOCU-DLBZAZTESA-N	1	0	368.462	1.531	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1	ZINC000904985672	851585552	/nfs/dbraw/zinc/58/55/52/851585552.db2.gz	DKGXRCCIGSMGAU-OAHLLOKOSA-N	1	0	360.483	1.426	20	30		FDEDRO
C#CCN1C(=O)C[C@@H]([N@@H+]2C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C2)C1=O	ZINC000905024294	851619294	/nfs/dbraw/zinc/61/92/94/851619294.db2.gz	OPYYUJRLCLPTRB-RBSFLKMASA-N	1	0	363.458	1.230	20	30		FDEDRO
CC[C@@](O)(C[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(F)(F)F	ZINC000905229131	851737713	/nfs/dbraw/zinc/73/77/13/851737713.db2.gz	HDSQADZCHNXIDY-GOEBONIOSA-N	1	0	355.360	1.952	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@H]1C[C@@H](F)CN1C(=O)OCc1ccccc1	ZINC000913525224	862292095	/nfs/dbraw/zinc/29/20/95/862292095.db2.gz	OKNOLKLTZMVSAB-IAGOWNOFSA-N	1	0	361.417	1.417	20	30		FDEDRO
C#C[C@@H]([NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)C1CCOCC1	ZINC000905382187	851880933	/nfs/dbraw/zinc/88/09/33/851880933.db2.gz	QZKLGAKYKPLHBL-CVEARBPZSA-N	1	0	372.531	1.006	20	30		FDEDRO
CCN1CCc2nc3ccccc3c(C(=O)NCC#CC[NH+](C)C)c2C1	ZINC000913516534	862299304	/nfs/dbraw/zinc/29/93/04/862299304.db2.gz	UICQAGGFIMBTHU-UHFFFAOYSA-N	1	0	350.466	1.908	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)C1CCN(C(=O)OCc2ccccc2)CC1	ZINC000913516711	862299337	/nfs/dbraw/zinc/29/93/37/862299337.db2.gz	BQQYXTTVYRDUMK-UHFFFAOYSA-N	1	0	357.454	1.716	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CCC3(CCOCC3)CO2)CCOCC1	ZINC000905425110	851931828	/nfs/dbraw/zinc/93/18/28/851931828.db2.gz	NHHOVRWEOFHEIZ-IAGOWNOFSA-N	1	0	352.475	1.623	20	30		FDEDRO
CC(C)NS(=O)(=O)c1ccc(N=NC2C[C@H]3CCC[N@@H+](C2)C3)nc1	ZINC000905435950	851940228	/nfs/dbraw/zinc/94/02/28/851940228.db2.gz	JFLIUFJTJQUARP-CYBMUJFWSA-N	1	0	351.476	1.652	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1	ZINC000913518709	862301910	/nfs/dbraw/zinc/30/19/10/862301910.db2.gz	YAKSJOBBRKDLTF-MRXNPFEDSA-N	1	0	367.453	1.096	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F	ZINC000913519963	862304509	/nfs/dbraw/zinc/30/45/09/862304509.db2.gz	WWGLLVXTQIRJIF-UHFFFAOYSA-N	1	0	354.332	1.599	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1c(F)cccc1I	ZINC000913519954	862305002	/nfs/dbraw/zinc/30/50/02/862305002.db2.gz	WPZFTYRVXMPGIT-UHFFFAOYSA-N	1	0	360.170	1.725	20	30		FDEDRO
CCN(C(=O)C[NH2+]C[C@H](O)COc1ccccc1C#N)c1ccccc1	ZINC000905518920	852011691	/nfs/dbraw/zinc/01/16/91/852011691.db2.gz	PWBPVBQCXMLIMS-SFHVURJKSA-N	1	0	353.422	1.941	20	30		FDEDRO
C[NH+](C)CC[C@H](NCCS(=O)(=O)c1ccc(C#N)cn1)c1cccnc1	ZINC000905549394	852050715	/nfs/dbraw/zinc/05/07/15/852050715.db2.gz	FMZMTSQRFYKUNV-KRWDZBQOSA-N	1	0	373.482	1.405	20	30		FDEDRO
CC(C)(C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)CS(C)(=O)=O	ZINC000905576263	852051031	/nfs/dbraw/zinc/05/10/31/852051031.db2.gz	DOAHSWBRMRPYTA-OAHLLOKOSA-N	1	0	354.472	1.153	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]1C[NH2+]C[C@H](O)COc1ccc(C#N)cc1	ZINC000905595036	852085652	/nfs/dbraw/zinc/08/56/52/852085652.db2.gz	XIHKWBOKCJZVGQ-HOTGVXAUSA-N	1	0	361.442	1.897	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C	ZINC000905688821	852147854	/nfs/dbraw/zinc/14/78/54/852147854.db2.gz	ICEIXGQIUQTQSL-FPCVCCKLSA-N	1	0	352.479	1.323	20	30		FDEDRO
N#Cc1cnc2ccccc2c1N1CC[NH+](C[C@@H](O)C2(O)CCCC2)CC1	ZINC000905925125	852414576	/nfs/dbraw/zinc/41/45/76/852414576.db2.gz	RVYNDVLMSCVXIO-LJQANCHMSA-N	1	0	366.465	1.894	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CC[C@@H](C)O[C@@H](C)C1)C(C)C	ZINC000668531887	852692604	/nfs/dbraw/zinc/69/26/04/852692604.db2.gz	NVLODYMQPCMCKN-SQNIBIBYSA-N	1	0	365.518	1.827	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@]2(C#N)CC3CCC2CC3)CC1	ZINC000906631223	853117768	/nfs/dbraw/zinc/11/77/68/853117768.db2.gz	CDSJHZKMRLQMEL-ALLBUHFWSA-N	1	0	360.502	1.765	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CC1	ZINC000906773966	853301025	/nfs/dbraw/zinc/30/10/25/853301025.db2.gz	RUGFWQAMFNUEJH-UHFFFAOYSA-N	1	0	373.409	1.974	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000907043481	853685570	/nfs/dbraw/zinc/68/55/70/853685570.db2.gz	OKOJUTGWPIVOKP-LJQANCHMSA-N	1	0	368.481	1.483	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(C#N)cn1	ZINC000907120407	853829704	/nfs/dbraw/zinc/82/97/04/853829704.db2.gz	FRAMXTBTKLWAPK-YOEHRIQHSA-N	1	0	356.451	1.752	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1cccc(C#N)c1)CC2	ZINC000991116856	855134259	/nfs/dbraw/zinc/13/42/59/855134259.db2.gz	JHGHAEHRMIXGIY-LDBRAYGESA-N	1	0	369.465	1.975	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N(C)[C@@H](C)C1CCN(S(=O)(=O)CC)CC1	ZINC000908234753	855216750	/nfs/dbraw/zinc/21/67/50/855216750.db2.gz	VWFPLYXXAWJBHO-HNNXBMFYSA-N	1	0	359.536	1.403	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1	ZINC000669250667	862676965	/nfs/dbraw/zinc/67/69/65/862676965.db2.gz	PDTOQQJOZLEFKT-SJORKVTESA-N	1	0	351.491	1.418	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCn2cccc2C1	ZINC000908694891	855683973	/nfs/dbraw/zinc/68/39/73/855683973.db2.gz	HPMTYZYTRFFZBI-SJORKVTESA-N	1	0	354.458	1.822	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H](CC)c2ccccc2)C[C@H]1OC	ZINC001212152494	862799694	/nfs/dbraw/zinc/79/96/94/862799694.db2.gz	RTSZNJIBFPBXJG-FGTMMUONSA-N	1	0	357.454	1.093	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1	ZINC000488149219	857235057	/nfs/dbraw/zinc/23/50/57/857235057.db2.gz	SSXBMACECHNITC-KRWDZBQOSA-N	1	0	364.534	1.333	20	30		FDEDRO
CS[C@H]1CCN(C(=O)C(=O)N(c2ccc(C#N)cn2)[C@@H]2CCC[NH2+]C2)C1	ZINC000910858652	857787765	/nfs/dbraw/zinc/78/77/65/857787765.db2.gz	RCMWUKFINIXBOF-CABCVRRESA-N	1	0	373.482	1.002	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CC[C@H](c2cccc(C)c2)C1)C1CC[NH+](C)CC1	ZINC000910882087	857830498	/nfs/dbraw/zinc/83/04/98/857830498.db2.gz	CZCRQCWDLXWFFZ-IBGZPJMESA-N	1	0	367.493	1.867	20	30		FDEDRO
C#CCN(C(=O)C(=O)N(C)Cc1cccc(OC)c1)C1CC[NH+](C)CC1	ZINC000910885895	857838662	/nfs/dbraw/zinc/83/86/62/857838662.db2.gz	OXADLQNXXNYFFQ-UHFFFAOYSA-N	1	0	357.454	1.210	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CCC[C@@H](c2ccccc2)C1)C1CC[NH+](C)CC1	ZINC000910886085	857838716	/nfs/dbraw/zinc/83/87/16/857838716.db2.gz	PZQCXAKVBSRGTG-LJQANCHMSA-N	1	0	367.493	1.949	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCNC(=O)[C@@H]1CC	ZINC000669335711	863006298	/nfs/dbraw/zinc/00/62/98/863006298.db2.gz	PQBDZNHLDUQRTL-PMPSAXMXSA-N	1	0	374.489	1.105	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2)C(C)C	ZINC000911204155	858308436	/nfs/dbraw/zinc/30/84/36/858308436.db2.gz	VJTAXLLUGAFPOF-YLJYHZDGSA-N	1	0	362.518	1.156	20	30		FDEDRO
C=C(C)Cn1c(-c2cc[nH]n2)nnc1N1CC[NH+](C2CCOCC2)CC1	ZINC000669339948	863027045	/nfs/dbraw/zinc/02/70/45/863027045.db2.gz	PKJIEDLWECMWGT-UHFFFAOYSA-N	1	0	357.462	1.545	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CCCCC1	ZINC000911335857	858477435	/nfs/dbraw/zinc/47/74/35/858477435.db2.gz	BSLWHTFUKKNYQO-VXGBXAGGSA-N	1	0	360.380	1.315	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1C#N	ZINC000911433940	858615401	/nfs/dbraw/zinc/61/54/01/858615401.db2.gz	FOJURVNECDYFCS-KGLIPLIRSA-N	1	0	368.359	1.221	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)cc1C#N	ZINC000911436852	858618676	/nfs/dbraw/zinc/61/86/76/858618676.db2.gz	WXFUGYKBGVHWQF-FQEVSTJZSA-N	1	0	354.454	1.475	20	30		FDEDRO
Cc1ncc(S(=O)(=O)NCc2cccc(OCC[NH+](C)C)c2)cc1C#N	ZINC000489125503	859242349	/nfs/dbraw/zinc/24/23/49/859242349.db2.gz	FNXCCWQUEWPMIP-UHFFFAOYSA-N	1	0	374.466	1.681	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@]1(C(=O)OC)CCC[N@H+](Cc2ccccc2)C1	ZINC000912037024	859251281	/nfs/dbraw/zinc/25/12/81/859251281.db2.gz	IYISXIFHPFVZQA-UXHICEINSA-N	1	0	360.454	1.638	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)c1	ZINC000912381653	859661931	/nfs/dbraw/zinc/66/19/31/859661931.db2.gz	FPQDXMQDBOQYPL-SFHVURJKSA-N	1	0	363.483	1.365	20	30		FDEDRO
CC(C)[C@H]1CN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC[N@@H+]1C	ZINC000489374335	859777872	/nfs/dbraw/zinc/77/78/72/859777872.db2.gz	UBAQOMSEVHNCDZ-QGZVFWFLSA-N	1	0	352.442	1.738	20	30		FDEDRO
C=CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CCOC(C)C)CC1	ZINC000282447616	881471922	/nfs/dbraw/zinc/47/19/22/881471922.db2.gz	AANYJEPZERDPBT-UHFFFAOYSA-N	1	0	359.478	1.412	20	30		FDEDRO
C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)CC[N@H+](C)CCO	ZINC000912611206	859957299	/nfs/dbraw/zinc/95/72/99/859957299.db2.gz	XQYSBHRNKAIAFX-UHFFFAOYSA-N	1	0	358.442	1.433	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCO1	ZINC000668997074	860054112	/nfs/dbraw/zinc/05/41/12/860054112.db2.gz	WFYAFERLAZKPFS-SWLSCSKDSA-N	1	0	355.360	1.815	20	30		FDEDRO
C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000912811255	860275382	/nfs/dbraw/zinc/27/53/82/860275382.db2.gz	HBIKHOLXTORLNJ-YPWSZFOLSA-N	1	0	362.474	1.482	20	30		FDEDRO
C#CC1(O)CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)CC1	ZINC000912971468	861165086	/nfs/dbraw/zinc/16/50/86/861165086.db2.gz	NAGNQWJNGYUODH-FPOVZHCZSA-N	1	0	368.477	1.512	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC[C@H]2CCOC2)C1	ZINC001112101692	863305998	/nfs/dbraw/zinc/30/59/98/863305998.db2.gz	XHBQPRWVILKBTN-RRFJBIMHSA-N	1	0	362.392	1.432	20	30		FDEDRO
CCN(CC)C(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C	ZINC001105849811	863484844	/nfs/dbraw/zinc/48/48/44/863484844.db2.gz	CQLLQWRPEGACFG-RBSFLKMASA-N	1	0	354.520	1.184	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cncs2)C[C@H]1C	ZINC001105879762	863606840	/nfs/dbraw/zinc/60/68/40/863606840.db2.gz	REWDUMSOYYNXGR-HUUCEWRRSA-N	1	0	362.499	1.641	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1	ZINC000916487539	881687348	/nfs/dbraw/zinc/68/73/48/881687348.db2.gz	KFALQGAYXKXFLO-SJORKVTESA-N	1	0	360.483	1.968	20	30		FDEDRO
CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000761013563	863720667	/nfs/dbraw/zinc/72/06/67/863720667.db2.gz	WQJKTSPVLBIYFH-UHFFFAOYSA-N	1	0	350.394	1.513	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CNc2ccnc(C#N)n2)CC[N@@H+]1C	ZINC001060316077	863774575	/nfs/dbraw/zinc/77/45/75/863774575.db2.gz	LDZNHWMEPNQKLN-HRCADAONSA-N	1	0	356.474	1.293	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C2CC2)[C@H](C)C1	ZINC001105909208	863906649	/nfs/dbraw/zinc/90/66/49/863906649.db2.gz	FYLAMAGMPQYRPJ-OWCLPIDISA-N	1	0	351.491	1.273	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CCC)[C@H](C)C1	ZINC001105915206	863974108	/nfs/dbraw/zinc/97/41/08/863974108.db2.gz	WWFOAAMVRWBURU-IXDOHACOSA-N	1	0	363.506	1.853	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C2=COCCC2)C[C@H]1C	ZINC001105922966	864027405	/nfs/dbraw/zinc/02/74/05/864027405.db2.gz	GOGPHFQERGWEJO-SJLPKXTDSA-N	1	0	361.486	1.565	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+]CCCN2C(=O)NC(C)(C)C2=O)[C@H](C)C1	ZINC001105924848	864041827	/nfs/dbraw/zinc/04/18/27/864041827.db2.gz	YGEJBJDDKKFRMK-HUUCEWRRSA-N	1	0	364.490	1.357	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCC2=CCCCC2)[C@H](C)C1	ZINC001105945552	864185230	/nfs/dbraw/zinc/18/52/30/864185230.db2.gz	ABGUEVGFPYCFJH-JFIYKMOQSA-N	1	0	360.502	1.837	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCc2cccs2)[C@H](C)C1	ZINC001105945624	864185733	/nfs/dbraw/zinc/18/57/33/864185733.db2.gz	CBSMKJOMWOBCDK-RBSFLKMASA-N	1	0	362.499	1.251	20	30		FDEDRO
Cc1ccccc1CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C	ZINC001105952117	864211838	/nfs/dbraw/zinc/21/18/38/864211838.db2.gz	RAETZVGTGIEZGM-ZHALLVOQSA-N	1	0	370.497	1.797	20	30		FDEDRO
CCC[NH+](CCC)CCCNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1	ZINC000916554589	881745542	/nfs/dbraw/zinc/74/55/42/881745542.db2.gz	QTFJCEVXZRBZFB-NVXWUHKLSA-N	1	0	370.519	1.078	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)/C(C)=C/C)C[C@H]1C	ZINC001105995816	864437608	/nfs/dbraw/zinc/43/76/08/864437608.db2.gz	GCVHIRXECWGCED-KWYJDOARSA-N	1	0	350.463	1.037	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@H]1OC	ZINC001212185256	864599816	/nfs/dbraw/zinc/59/98/16/864599816.db2.gz	QXHRVGJKHMJJCU-UYAOXDASSA-N	1	0	356.466	1.783	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)CC1	ZINC000916595740	881798379	/nfs/dbraw/zinc/79/83/79/881798379.db2.gz	AOPZNNJPIUDMHX-AWEZNQCLSA-N	1	0	354.454	1.663	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2nccs2)[C@H](C)C1	ZINC001106026168	864813125	/nfs/dbraw/zinc/81/31/25/864813125.db2.gz	ZHNCIOCIEPDURQ-HUUCEWRRSA-N	1	0	362.499	1.959	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)Nc2ncccn2)[C@H](C)C1	ZINC001106025991	864815100	/nfs/dbraw/zinc/81/51/00/864815100.db2.gz	QERVSBUKVFWAOX-BRWVUGGUSA-N	1	0	371.485	1.681	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC001060375340	864830800	/nfs/dbraw/zinc/83/08/00/864830800.db2.gz	NYLYDYWPNUQBEL-HHXXYDBFSA-N	1	0	368.481	1.372	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCc3c2cccc3F)[C@H](C)C1	ZINC001106034565	864912778	/nfs/dbraw/zinc/91/27/78/864912778.db2.gz	HEESFCHNKUSCMU-SPYBWZPUSA-N	1	0	371.456	1.637	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCc3ccc(F)cc32)[C@H](C)C1	ZINC001106035625	864916279	/nfs/dbraw/zinc/91/62/79/864916279.db2.gz	WDYKMWYTCDJHEY-IDHHARJASA-N	1	0	371.456	1.637	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C)c(OC)c2)[C@H](C)C1	ZINC001106035813	864924755	/nfs/dbraw/zinc/92/47/55/864924755.db2.gz	YAORKBAVONWZNW-SJLPKXTDSA-N	1	0	371.481	1.327	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCCC2)[C@H](C)C1	ZINC001106058753	865065500	/nfs/dbraw/zinc/06/55/00/865065500.db2.gz	HPRGEWJCXKHELC-CLCXKQKWSA-N	1	0	351.491	1.056	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C(N)=O)cc2)[C@H](C)C1	ZINC001106059210	865068844	/nfs/dbraw/zinc/06/88/44/865068844.db2.gz	PIGQAUIJQVMGMN-WIBUTAKZSA-N	1	0	359.470	1.297	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@H](C)c2ccco2)[C@H](C)C1	ZINC001106065588	865116969	/nfs/dbraw/zinc/11/69/69/865116969.db2.gz	BOWHBMNCDSDSJS-BRWVUGGUSA-N	1	0	359.470	1.944	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CCCC3CCOCC3)[C@@H]2C)nn1	ZINC001088907158	865371947	/nfs/dbraw/zinc/37/19/47/865371947.db2.gz	CFHAQNYBSZHLOO-WBVHZDCISA-N	1	0	361.490	1.864	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2[nH]ccc2C)C[C@H]1C	ZINC001106074574	865384338	/nfs/dbraw/zinc/38/43/38/865384338.db2.gz	UPCRFNBVDRAXLC-HZPDHXFCSA-N	1	0	359.474	1.383	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCCc2nc(C)no2)[C@@H]1C	ZINC001088914082	865410501	/nfs/dbraw/zinc/41/05/01/865410501.db2.gz	ICFYFDQLUMFNLI-VKZRIFJHSA-N	1	0	362.474	1.871	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CCCCN2C(N)=O)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088971902	865811152	/nfs/dbraw/zinc/81/11/52/865811152.db2.gz	JDFMFIFXSLJGJC-FHLIZLRMSA-N	1	0	369.469	1.570	20	30		FDEDRO
COc1ccc(C#N)cc1CN1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1C	ZINC001088980367	865888497	/nfs/dbraw/zinc/88/84/97/865888497.db2.gz	FRTAJQHFRGMZFQ-SUMDDJOVSA-N	1	0	370.497	1.988	20	30		FDEDRO
COc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cc3cncn3C)[C@H]2C)cc1C#N	ZINC001088981529	865908035	/nfs/dbraw/zinc/90/80/35/865908035.db2.gz	ZJIWEIDPSBGJFM-KDOFPFPSSA-N	1	0	367.453	1.622	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)CCCC)C[C@H]1C	ZINC001106081313	865972975	/nfs/dbraw/zinc/97/29/75/865972975.db2.gz	MPIBANQMJAEJTD-BZUAXINKSA-N	1	0	366.506	1.509	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+]([C@@H]2CCN(CC=C)C2=O)[C@@H]1C	ZINC001089006422	866012706	/nfs/dbraw/zinc/01/27/06/866012706.db2.gz	DRQFZGRZSDIJCF-LSTHTHJFSA-N	1	0	365.477	1.576	20	30		FDEDRO
COc1ccc(C#N)cc1CN1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C	ZINC001089040442	866230281	/nfs/dbraw/zinc/23/02/81/866230281.db2.gz	SHCMAKZUKUFYFG-QAPCUYQASA-N	1	0	356.470	1.742	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3ccc(F)cn3)[C@@H]2C)CC1	ZINC001089060094	866390746	/nfs/dbraw/zinc/39/07/46/866390746.db2.gz	SXBXHVFGHLQHOI-BEFAXECRSA-N	1	0	358.461	1.645	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1	ZINC000991987481	866845148	/nfs/dbraw/zinc/84/51/48/866845148.db2.gz	JKFRHYSHTXPFNC-WMZOPIPTSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCC[C@@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C(=O)OCC	ZINC000456619910	866992257	/nfs/dbraw/zinc/99/22/57/866992257.db2.gz	CCKJHGXRNJHJBA-MRXNPFEDSA-N	1	0	360.458	1.461	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H](OC)C1	ZINC000946775704	882069291	/nfs/dbraw/zinc/06/92/91/882069291.db2.gz	OEBBFRAQEFJLGI-BPLDGKMQSA-N	1	0	371.909	1.449	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)c2cccc(C[NH+](C)C)c2)C1	ZINC000992037987	867346201	/nfs/dbraw/zinc/34/62/01/867346201.db2.gz	NJRHLYQNKHQIJV-OALUTQOASA-N	1	0	371.481	1.670	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1	ZINC000992071760	867666271	/nfs/dbraw/zinc/66/62/71/867666271.db2.gz	UQEZRNQVPOBXDK-KSZLIROESA-N	1	0	363.502	1.558	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC2(F)F)C[C@H]1C	ZINC001106090047	867924204	/nfs/dbraw/zinc/92/42/04/867924204.db2.gz	ZQWHACZMTHOVAV-KFWWJZLASA-N	1	0	357.445	1.750	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1O	ZINC000443047657	867939272	/nfs/dbraw/zinc/93/92/72/867939272.db2.gz	INOMEICISDQBNQ-OALUTQOASA-N	1	0	365.433	1.877	20	30		FDEDRO
Cc1cccc(CNC(=O)C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)c1	ZINC001106105982	868163834	/nfs/dbraw/zinc/16/38/34/868163834.db2.gz	CFJNTIYJUFYJDL-YLJYHZDGSA-N	1	0	367.493	1.709	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C)C(=O)NCC(F)(F)F	ZINC001106106125	868167458	/nfs/dbraw/zinc/16/74/58/868167458.db2.gz	JQLJVNNGKVILPW-YRGRVCCFSA-N	1	0	359.392	1.151	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1C#N	ZINC000460128983	868174362	/nfs/dbraw/zinc/17/43/62/868174362.db2.gz	IAJRVKTWQQUURP-CABCVRRESA-N	1	0	374.514	1.782	20	30		FDEDRO
CC(C)(C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O)[NH+]1CCCC1	ZINC001077503889	868313471	/nfs/dbraw/zinc/31/34/71/868313471.db2.gz	KLEWOVPIGIJPAK-RTBURBONSA-N	1	0	355.482	1.074	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@]3(NC(=O)[C@H]4C[C@H]4C(N)=O)CCC[C@@H]23)cc1	ZINC000992203556	868321174	/nfs/dbraw/zinc/32/11/74/868321174.db2.gz	ARBRNLNMTLPFRR-AXVVYFOYSA-N	1	0	352.438	1.293	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc3c(c2)COC3)[C@H](C)C1	ZINC001106112193	868405195	/nfs/dbraw/zinc/40/51/95/868405195.db2.gz	XXIVXATWOOZFLS-GQIGUUNPSA-N	1	0	356.466	1.939	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)CC(F)(F)F)[C@H](C)C1	ZINC001106115415	868523716	/nfs/dbraw/zinc/52/37/16/868523716.db2.gz	WDDAZKUSEYISFE-MCIONIFRSA-N	1	0	350.381	1.024	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(C)(C)CC)[C@H](C)C1	ZINC001106117496	868609632	/nfs/dbraw/zinc/60/96/32/868609632.db2.gz	RRBWTUAPDRGNLZ-BRWVUGGUSA-N	1	0	365.518	1.404	20	30		FDEDRO
C[NH+]1CCN(CCOc2ccc(NC(=O)c3ccc(C#N)nc3)cc2)CC1	ZINC000464524241	868933968	/nfs/dbraw/zinc/93/39/68/868933968.db2.gz	MLYNYNIRRPFTLC-UHFFFAOYSA-N	1	0	365.437	1.832	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cnn(CCOC)c2C)C[C@H]1C	ZINC001106126198	868994426	/nfs/dbraw/zinc/99/44/26/868994426.db2.gz	MLOUMGWURCMYRN-NVXWUHKLSA-N	1	0	364.490	1.338	20	30		FDEDRO
CC(C)(C#N)CS(=O)(=O)NCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000913909274	869969452	/nfs/dbraw/zinc/96/94/52/869969452.db2.gz	WFRFVOQNCBOYOJ-UHFFFAOYSA-N	1	0	364.515	1.273	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C[C@H]1C	ZINC001106133667	870121379	/nfs/dbraw/zinc/12/13/79/870121379.db2.gz	ONUSWLMSQDACGS-KWCYVHTRSA-N	1	0	365.865	1.199	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCNC(=O)c2ccc(Cl)cc2)CC1	ZINC000914001665	870324968	/nfs/dbraw/zinc/32/49/68/870324968.db2.gz	FTXSKYPEZQMEJD-UHFFFAOYSA-N	1	0	362.861	1.467	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@]3(C)C2)nc1	ZINC000992685518	871318797	/nfs/dbraw/zinc/31/87/97/871318797.db2.gz	DOHMIYHHMWVOHI-MMOPVJDHSA-N	1	0	366.465	1.078	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc3occc3c2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106158083	871486257	/nfs/dbraw/zinc/48/62/57/871486257.db2.gz	TVGPYEXOZIAJBC-CZUORRHYSA-N	1	0	354.410	1.370	20	30		FDEDRO
CCC(=O)N[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1	ZINC001106164111	871499296	/nfs/dbraw/zinc/49/92/96/871499296.db2.gz	CVGRWMYKYBTLIP-ZIFCJYIRSA-N	1	0	355.482	1.637	20	30		FDEDRO
C=CCN1CC[C@H]([NH+]2CCC(OCCN3C[C@H](C)O[C@@H](C)C3)CC2)C1=O	ZINC000499599022	871650272	/nfs/dbraw/zinc/65/02/72/871650272.db2.gz	FORFNVGOPJTEMV-LNLFQRSKSA-N	1	0	365.518	1.364	20	30		FDEDRO
C[NH+](C)C1(C(=O)N2C[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@]3(C)C2)CCC1	ZINC000992742339	871745178	/nfs/dbraw/zinc/74/51/78/871745178.db2.gz	YRUHHUXZZYSIAQ-HNAYVOBHSA-N	1	0	369.469	1.291	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[NH+]4CCC2CC4)C3)c1	ZINC001002951038	871951856	/nfs/dbraw/zinc/95/18/56/871951856.db2.gz	JSYDABIEMJBQFX-HPFXQQBRSA-N	1	0	367.453	1.090	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)C[C@@H](C)N1CC#N	ZINC000922130529	872289247	/nfs/dbraw/zinc/28/92/47/872289247.db2.gz	CMGOLBMVLAFBKX-IAGOWNOFSA-N	1	0	357.502	1.918	20	30		FDEDRO
C=CCOCCN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H](OC)C1	ZINC001212497491	872570839	/nfs/dbraw/zinc/57/08/39/872570839.db2.gz	OQXPREUNMTWYGT-FGTMMUONSA-N	1	0	353.507	1.125	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2snnc2C)[C@@H](n2ccnn2)C1	ZINC001128677583	882633852	/nfs/dbraw/zinc/63/38/52/882633852.db2.gz	OYBUHYYDDFGHKX-YUTCNCBUSA-N	1	0	361.475	1.448	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)COCc2cccc(OC)c2)[C@H](OC)C1	ZINC001212504255	872822493	/nfs/dbraw/zinc/82/24/93/872822493.db2.gz	HZBJPXHSZGSAHO-RTBURBONSA-N	1	0	362.470	1.993	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)cc(N(C)C)c2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000494131868	872924759	/nfs/dbraw/zinc/92/47/59/872924759.db2.gz	WOYKVJWFOMTVPB-OXQOHEQNSA-N	1	0	369.513	1.722	20	30		FDEDRO
C[NH+](C)Cc1ccoc1C(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1	ZINC000992890112	873087927	/nfs/dbraw/zinc/08/79/27/873087927.db2.gz	LIUKDCVQTOGGIN-LAUBAEHRSA-N	1	0	369.465	1.675	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CCCCO2)CC1	ZINC001003362897	873215954	/nfs/dbraw/zinc/21/59/54/873215954.db2.gz	HLQYIZDWLIJERK-AKHDSKFASA-N	1	0	373.497	1.149	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CC2)[C@H](C)C1)OCC	ZINC001106197225	873454098	/nfs/dbraw/zinc/45/40/98/873454098.db2.gz	MDZMIMXQEROSIE-INMHGKMJSA-N	1	0	351.491	1.320	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1	ZINC000922177387	873454671	/nfs/dbraw/zinc/45/46/71/873454671.db2.gz	ORIDUYFSNCEDSA-SFHVURJKSA-N	1	0	372.444	1.323	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCC)[C@H](C)C1)OCC	ZINC001106197300	873456511	/nfs/dbraw/zinc/45/65/11/873456511.db2.gz	PGMKQMFYZGLTHE-ZACQAIPSSA-N	1	0	353.507	1.568	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C3CC3)no1)C2	ZINC001112537949	873519075	/nfs/dbraw/zinc/51/90/75/873519075.db2.gz	HVBSZUZHZNHSSR-YWZLYKJASA-N	1	0	370.453	1.133	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106199797	873646624	/nfs/dbraw/zinc/64/66/24/873646624.db2.gz	BHWSGNMSZPZLBU-KBAYOESNSA-N	1	0	371.456	1.340	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)C4(C)CC4)C[C@@]3(C)C2)CC1	ZINC000993022291	873719906	/nfs/dbraw/zinc/71/99/06/873719906.db2.gz	ZKRVAXHVUFIUCM-LAUBAEHRSA-N	1	0	357.498	1.439	20	30		FDEDRO
N#Cc1ccc(Br)c(C[NH2+]CCCN2CCNC(=O)C2)c1	ZINC000922214367	873871654	/nfs/dbraw/zinc/87/16/54/873871654.db2.gz	MRYASFCKNINCIS-UHFFFAOYSA-N	1	0	351.248	1.232	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3csnn3)[C@H](C)C2)CCOCC1	ZINC001106232541	874036424	/nfs/dbraw/zinc/03/64/24/874036424.db2.gz	BIKDBXAUYHCXIK-HUUCEWRRSA-N	1	0	362.499	1.542	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3nnc(C)o3)[C@H](C)C2)CCOCC1	ZINC001106232573	874036478	/nfs/dbraw/zinc/03/64/78/874036478.db2.gz	DBGIENMDKRSCIV-GDBMZVCRSA-N	1	0	360.458	1.382	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]CCN3C(=O)CCC3=O)[C@H](C)C2)CCC1	ZINC001106236112	874062220	/nfs/dbraw/zinc/06/22/20/874062220.db2.gz	AQMXKRRNIPWZCB-HZPDHXFCSA-N	1	0	359.470	1.013	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]CCn3nc(C)nc3C)[C@H](C)C2)CCC1	ZINC001106236520	874063122	/nfs/dbraw/zinc/06/31/22/874063122.db2.gz	SJYXTLHMSMBTLZ-CRAIPNDOSA-N	1	0	357.502	1.773	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]C[C@H](O)Cn3cccn3)[C@H](C)C2)CCC1	ZINC001106236661	874064005	/nfs/dbraw/zinc/06/40/05/874064005.db2.gz	YSWSYEHSVGBGJT-KURKYZTESA-N	1	0	358.486	1.122	20	30		FDEDRO
O=C(C#CC1CC1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2	ZINC001003704673	874077761	/nfs/dbraw/zinc/07/77/61/874077761.db2.gz	AYIMMKSKCUNZHE-KURKYZTESA-N	1	0	355.482	1.524	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1C	ZINC001106270066	874298393	/nfs/dbraw/zinc/29/83/93/874298393.db2.gz	QUCUMEHJGHOTCI-CABNGKKXSA-N	1	0	361.280	1.383	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C[C@H]1C	ZINC001106274866	874340973	/nfs/dbraw/zinc/34/09/73/874340973.db2.gz	YZWIMEOWYIIFQT-VBSBHUPXSA-N	1	0	356.466	1.851	20	30		FDEDRO
C[C@@H]1CN(C(=O)C/C=C/Cc2ccccc2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106278091	874361409	/nfs/dbraw/zinc/36/14/09/874361409.db2.gz	XVWYYYSGWIWWEQ-IBMJZYDUSA-N	1	0	368.481	1.499	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccnc(CCC)c2)C[C@H]1C	ZINC001106283386	874433575	/nfs/dbraw/zinc/43/35/75/874433575.db2.gz	QIIFVRPJAPKTKW-JFIYKMOQSA-N	1	0	370.497	1.470	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccnc(-n3cccc3)c2)C[C@H]1C	ZINC001106286527	874457721	/nfs/dbraw/zinc/45/77/21/874457721.db2.gz	HBOGUXQJUNORSO-IEBWSBKVSA-N	1	0	366.465	1.820	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106286724	874485147	/nfs/dbraw/zinc/48/51/47/874485147.db2.gz	PHRIXYMHDRVOGC-CRAIPNDOSA-N	1	0	350.422	1.532	20	30		FDEDRO
Cc1[nH+]c(CN=Nc2ccc(S(=O)(=O)NC3CC3)cn2)c2ccccn12	ZINC000914700981	874517722	/nfs/dbraw/zinc/51/77/22/874517722.db2.gz	VIZPXHZUFRPMTF-UHFFFAOYSA-N	1	0	370.438	1.924	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106309878	874739672	/nfs/dbraw/zinc/73/96/72/874739672.db2.gz	GJKQFFDIMQBDDM-VURPSTOHSA-N	1	0	369.509	1.441	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001106327489	874790244	/nfs/dbraw/zinc/79/02/44/874790244.db2.gz	HLWCWAXNKSAFMT-RHSMWYFYSA-N	1	0	363.483	1.177	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2cc(CC)n[nH]2)[C@@H](n2ccnn2)C1	ZINC001128723706	882874407	/nfs/dbraw/zinc/87/44/07/882874407.db2.gz	ANULVAHQOYKUGM-MSOLQXFVSA-N	1	0	371.489	1.965	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCn2cccn2)[C@@H](n2ccnn2)C1	ZINC001128723720	882874740	/nfs/dbraw/zinc/87/47/40/882874740.db2.gz	BJDHIKMGZICGRO-MSOLQXFVSA-N	1	0	371.489	1.653	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C)ccc2OC)C[C@H]1C	ZINC001106390822	875053025	/nfs/dbraw/zinc/05/30/25/875053025.db2.gz	GNCDWVROQJPUKR-HZPDHXFCSA-N	1	0	357.454	1.051	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(Cl)ccc2F)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106394590	875085011	/nfs/dbraw/zinc/08/50/11/875085011.db2.gz	CNLSGUDLCONUCZ-VXGBXAGGSA-N	1	0	366.824	1.417	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2OCC(N)=O)C[C@H]1C	ZINC001106399665	875091879	/nfs/dbraw/zinc/09/18/79/875091879.db2.gz	LFMBEOUAOQJTPV-TZMCWYRMSA-N	1	0	365.861	1.601	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccn(CCOC)n2)C[C@H]1C	ZINC001106406222	875148711	/nfs/dbraw/zinc/14/87/11/875148711.db2.gz	FSFIQQQENNKPHW-HZPDHXFCSA-N	1	0	350.463	1.030	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c(C)noc2C2CC2)C[C@H]1C	ZINC001106437434	875314394	/nfs/dbraw/zinc/31/43/94/875314394.db2.gz	KWJCUAVYTSSRCQ-IUODEOHRSA-N	1	0	360.458	1.460	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCC(C)(C)CO2)C[C@H]1C	ZINC001106450930	875361600	/nfs/dbraw/zinc/36/16/00/875361600.db2.gz	ZPMGRNZWLZIAQH-KURKYZTESA-N	1	0	350.503	1.916	20	30		FDEDRO
O=C(C#Cc1ccc2c(c1)OCO2)NC1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000762208833	875448826	/nfs/dbraw/zinc/44/88/26/875448826.db2.gz	WYJJRJDJRAREAI-QGZVFWFLSA-N	1	0	356.422	1.526	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)C1	ZINC000994477565	882934794	/nfs/dbraw/zinc/93/47/94/882934794.db2.gz	XBJNXOMVRHHEFU-NZSAHSFTSA-N	1	0	359.514	1.733	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cc3c(=O)[nH]c(C)cn3n2)C[C@H]1C	ZINC001106477925	875584624	/nfs/dbraw/zinc/58/46/24/875584624.db2.gz	UCEQYJXWCYMCDV-UKRRQHHQSA-N	1	0	357.458	1.595	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc3c(=O)[nH]c(C)cn3n2)C[C@H]1C	ZINC001106478454	875586208	/nfs/dbraw/zinc/58/62/08/875586208.db2.gz	YABBSYAPCTYSJL-IJEWVQPXSA-N	1	0	371.485	1.983	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccnc3ccncc32)C[C@H]1C	ZINC001106479606	875604061	/nfs/dbraw/zinc/60/40/61/875604061.db2.gz	JTKNJHTUCPYIHM-HUUCEWRRSA-N	1	0	367.453	1.230	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2occ3c2CCC3)C[C@H]1C	ZINC001106479872	875606803	/nfs/dbraw/zinc/60/68/03/875606803.db2.gz	VKYQQQOEZNDQAD-IJEWVQPXSA-N	1	0	357.454	1.204	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)[nH]c2=O)C[C@H]1C	ZINC001106497237	875701002	/nfs/dbraw/zinc/70/10/02/875701002.db2.gz	MAXIPLBPDRKKSH-UKRRQHHQSA-N	1	0	360.458	1.004	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]C[C@@H](O)Cn3cccn3)[C@H](C)C2)cc1	ZINC001106511354	875778743	/nfs/dbraw/zinc/77/87/43/875778743.db2.gz	GFEFWCIWQDWZOB-NSISKUIASA-N	1	0	366.465	1.223	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]C[C@H](O)Cn3cccn3)[C@H](C)C2)cc1	ZINC001106511353	875778850	/nfs/dbraw/zinc/77/88/50/875778850.db2.gz	GFEFWCIWQDWZOB-AHRSYUTCSA-N	1	0	366.465	1.223	20	30		FDEDRO
COc1nn(C)cc1C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1	ZINC001106514763	875820184	/nfs/dbraw/zinc/82/01/84/875820184.db2.gz	YTWOPEJBGJXCJK-SJLPKXTDSA-N	1	0	366.465	1.778	20	30		FDEDRO
C[C@H](CC(N)=O)C(=O)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2C#N)[C@H](C)C1	ZINC001106522202	875827590	/nfs/dbraw/zinc/82/75/90/875827590.db2.gz	GSKDGKSYQDTODV-XJKCOSOUSA-N	1	0	360.433	1.393	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1	ZINC000762381893	875831547	/nfs/dbraw/zinc/83/15/47/875831547.db2.gz	QNHQEJVDCDXTSO-UHFFFAOYSA-N	1	0	352.479	1.985	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C(C)(C)C)[C@H](C)C1	ZINC001106558421	875951466	/nfs/dbraw/zinc/95/14/66/875951466.db2.gz	ZCXUUBVLUSVHOG-HZPDHXFCSA-N	1	0	360.506	1.806	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]Cc2nnc3n2CCOC3)[C@H](C)C1	ZINC001106559180	875966368	/nfs/dbraw/zinc/96/63/68/875966368.db2.gz	HXYHOGJPHGXYQJ-HZPDHXFCSA-N	1	0	359.474	1.186	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc[nH]c2C(C)C)C[C@H]1C	ZINC001106569401	875982048	/nfs/dbraw/zinc/98/20/48/875982048.db2.gz	ILSMITMVRZTQTJ-OWCLPIDISA-N	1	0	358.486	1.574	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NC2CC2)[C@H](C)C1	ZINC001106612982	876179703	/nfs/dbraw/zinc/17/97/03/876179703.db2.gz	VWEAQVQHKOEJLI-RBSFLKMASA-N	1	0	364.490	1.404	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+]CC2(CS(C)(=O)=O)CC2)[C@H](C)C1	ZINC001106609705	876179935	/nfs/dbraw/zinc/17/99/35/876179935.db2.gz	KTLYONNLDRPPGF-HZPDHXFCSA-N	1	0	356.532	1.852	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+]CC[C@H]2CCS(=O)(=O)C2)[C@H](C)C1	ZINC001106609983	876184441	/nfs/dbraw/zinc/18/44/41/876184441.db2.gz	XEQVJGBZQUJMAO-IXDOHACOSA-N	1	0	356.532	1.852	20	30		FDEDRO
CCCOc1cccnc1C(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1	ZINC001106621327	876244631	/nfs/dbraw/zinc/24/46/31/876244631.db2.gz	FOVSAXUVBVGGMT-IAGOWNOFSA-N	1	0	359.470	1.818	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]CCCNS(=O)(=O)CC)[C@H](C)C2)C1	ZINC001106647857	876383449	/nfs/dbraw/zinc/38/34/49/876383449.db2.gz	XLVVTRSARUFJBW-HZPDHXFCSA-N	1	0	371.547	1.356	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]CCOC[C@@H]3CCCO3)[C@H](C)C2)c1	ZINC001106650587	876389373	/nfs/dbraw/zinc/38/93/73/876389373.db2.gz	UOMDFVPZHZBPSD-AHRSYUTCSA-N	1	0	371.481	1.556	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC(C)(C)C)[C@H](C)C2)c1	ZINC001106650664	876389403	/nfs/dbraw/zinc/38/94/03/876389403.db2.gz	YGRQELBRUBWYBB-CRAIPNDOSA-N	1	0	370.497	1.523	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(-n3cccn3)ccn2)C[C@H]1C	ZINC001106658801	876445825	/nfs/dbraw/zinc/44/58/25/876445825.db2.gz	PIPNVMATMZRETC-IAGOWNOFSA-N	1	0	367.453	1.215	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC/C=C\c2ccccc2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106660157	876454805	/nfs/dbraw/zinc/45/48/05/876454805.db2.gz	DEJIOHYPQOPEQE-GDKDZLOSSA-N	1	0	368.481	1.804	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(N3CCCC3)ncn2)C[C@H]1C	ZINC001106666726	876477524	/nfs/dbraw/zinc/47/75/24/876477524.db2.gz	RRRSVXJBRVIAHE-IAGOWNOFSA-N	1	0	371.485	1.024	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C	ZINC001106663870	876486146	/nfs/dbraw/zinc/48/61/46/876486146.db2.gz	RUJUQETZMVZZAI-WCXIOVBPSA-N	1	0	353.507	1.674	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)OCc2ccncc2)C[C@H]1C	ZINC001106678259	876529354	/nfs/dbraw/zinc/52/93/54/876529354.db2.gz	FPTJIFNKIQEJAW-ZIFCJYIRSA-N	1	0	361.486	1.873	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(CC)cn2)C[C@H]1C	ZINC001106682867	876554326	/nfs/dbraw/zinc/55/43/26/876554326.db2.gz	CIXFHQUAMXYASA-JFIYKMOQSA-N	1	0	370.497	1.009	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccncc2Cl)C[C@H]1C	ZINC001106694577	876578820	/nfs/dbraw/zinc/57/88/20/876578820.db2.gz	RLFCSCMFTMWWEM-CHWSQXEVSA-N	1	0	350.850	1.335	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CCC(F)(F)CC2)C[C@H]1C	ZINC001106699744	876608271	/nfs/dbraw/zinc/60/82/71/876608271.db2.gz	IPLHXXBTFWCAKV-UKRRQHHQSA-N	1	0	357.445	1.798	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(CC)cc2)C[C@H]1C	ZINC001106712537	876904302	/nfs/dbraw/zinc/90/43/02/876904302.db2.gz	ALMQPOAWATWKQU-VQIMIIECSA-N	1	0	355.482	1.225	20	30		FDEDRO
C[C@@H]1CN(C(=O)COC[C@@H]2CCOC2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001106724103	876981212	/nfs/dbraw/zinc/98/12/12/876981212.db2.gz	BFCIATKCFLUHTO-MBOZVWFJSA-N	1	0	371.481	1.795	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2nnn(C(C)(C)C)n2)C[C@H]1C(F)(F)F	ZINC001099255496	877225689	/nfs/dbraw/zinc/22/56/89/877225689.db2.gz	CQOGQQUFWSERCZ-GHMZBOCLSA-N	1	0	360.384	1.136	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21	ZINC000272399727	877306077	/nfs/dbraw/zinc/30/60/77/877306077.db2.gz	ZFCDANTXLQWSEF-ZBFHGGJFSA-N	1	0	356.426	1.448	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)c2cc(NC(=O)OC(C)(C)C)n(C)n2)C1	ZINC000923597455	877331248	/nfs/dbraw/zinc/33/12/48/877331248.db2.gz	XPOJWKCNNGDNHT-ZDUSSCGKSA-N	1	0	361.446	1.595	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnc(C3CC3)[nH]c2=O)C[C@H]1C	ZINC001106737993	877339948	/nfs/dbraw/zinc/33/99/48/877339948.db2.gz	YEAMAMBDTGWDRY-UKRRQHHQSA-N	1	0	358.442	1.007	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2coc(C3CC3)n2)C[C@H]1C	ZINC001106739298	877349260	/nfs/dbraw/zinc/34/92/60/877349260.db2.gz	RAOZRYLBZSGTCM-UMVBOHGHSA-N	1	0	360.458	1.540	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](CC)C(N)=O)[C@H](C)C2)cc1	ZINC001106740515	877405849	/nfs/dbraw/zinc/40/58/49/877405849.db2.gz	SEXUAZGATSWWKY-QGPMSJSTSA-N	1	0	357.454	1.260	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C23CCC(CC2)C3(C)C)C[C@H]1C	ZINC001106743524	877426234	/nfs/dbraw/zinc/42/62/34/877426234.db2.gz	ONDHSKQWVSWGPX-UJZKCHAJSA-N	1	0	359.514	1.636	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C2(NC(C)=O)CCCC2)C[C@H]1C	ZINC001106757305	877581709	/nfs/dbraw/zinc/58/17/09/877581709.db2.gz	UUKBZDYJOZJFMQ-NVXWUHKLSA-N	1	0	351.491	1.322	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3ccccc3O2)C[C@H]1C	ZINC001106778276	877786718	/nfs/dbraw/zinc/78/67/18/877786718.db2.gz	BXMIGCVMQRHNOO-POAQFYNOSA-N	1	0	356.466	1.714	20	30		FDEDRO
N#Cc1ccccc1/C=C/C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000922348491	877842773	/nfs/dbraw/zinc/84/27/73/877842773.db2.gz	VHMRKPNINBDHRD-DUIUGDAFSA-N	1	0	368.481	1.484	20	30		FDEDRO
C=CCOCC(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001078885124	877871668	/nfs/dbraw/zinc/87/16/68/877871668.db2.gz	UYPVPNQZQYPYQR-BRWVUGGUSA-N	1	0	351.491	1.369	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2scnc2C)C[C@H]1C	ZINC001106823769	878397940	/nfs/dbraw/zinc/39/79/40/878397940.db2.gz	XCYALNPRZHDABB-UKRRQHHQSA-N	1	0	364.515	1.370	20	30		FDEDRO
C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(c4ccccn4)C[C@H]3C)CC[C@@H]2C1	ZINC000946595187	879082550	/nfs/dbraw/zinc/08/25/50/879082550.db2.gz	MJCUMEQOJNXFOW-YSTOQKLRSA-N	1	0	366.509	1.958	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2oncc2C)C[C@H]1C	ZINC001106829759	879222691	/nfs/dbraw/zinc/22/26/91/879222691.db2.gz	CKXYHEKVHHNREC-HZPDHXFCSA-N	1	0	360.458	1.481	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)c3cccnc3)[C@H](C)C2)CC1	ZINC000993688458	879317394	/nfs/dbraw/zinc/31/73/94/879317394.db2.gz	NBVBWTNPPGMYMO-VQIMIIECSA-N	1	0	368.481	1.251	20	30		FDEDRO
C=CCOc1c(Cl)cc(C[NH2+]C[C@@H](O)CS(C)(=O)=O)cc1OC	ZINC000922825167	879385459	/nfs/dbraw/zinc/38/54/59/879385459.db2.gz	HCBYDDFBDGUUPW-GFCCVEGCSA-N	1	0	363.863	1.409	20	30		FDEDRO
C[NH+]=C(NCc1ccnc(C)n1)N1CCN(c2cccc(OC)c2)CC1	ZINC000073757501	879400438	/nfs/dbraw/zinc/40/04/38/879400438.db2.gz	PHZCAKCYFLBJCN-UHFFFAOYSA-N	1	0	354.458	1.691	20	30		FDEDRO
C=C(Cl)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1	ZINC001004545518	879841590	/nfs/dbraw/zinc/84/15/90/879841590.db2.gz	CWMLPHJKGCAHCK-OWCLPIDISA-N	1	0	369.893	1.475	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC000993863874	879864988	/nfs/dbraw/zinc/86/49/88/879864988.db2.gz	FBXZTXSPFMOKHB-IIAWOOMASA-N	1	0	357.458	1.052	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C)C[C@@H]2O)cc1	ZINC001083842482	879893779	/nfs/dbraw/zinc/89/37/79/879893779.db2.gz	NUJRTCZUGMICKV-RTWAWAEBSA-N	1	0	364.445	1.982	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C(C)C)C[C@@H]2O)nn1	ZINC001083843465	879972932	/nfs/dbraw/zinc/97/29/32/879972932.db2.gz	JGOXQMNPDMWHCJ-MJGOQNOKSA-N	1	0	369.469	1.563	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC000994053967	880556609	/nfs/dbraw/zinc/55/66/09/880556609.db2.gz	OQWGJYDUJZRNEZ-XYPHTWIQSA-N	1	0	369.469	1.052	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1	ZINC000994136608	880895913	/nfs/dbraw/zinc/89/59/13/880895913.db2.gz	MXONPJODRJBEMS-HDMKZQKVSA-N	1	0	356.470	1.732	20	30		FDEDRO
C=C1CCC(C(=O)N2CCO[C@@H]3C[N@@H+]([C@@H]4CCN(CC)C4=O)C[C@@H]32)CC1	ZINC001083183914	912621234	/nfs/dbraw/zinc/62/12/34/912621234.db2.gz	DYXATBIKYMLWIG-FGTMMUONSA-N	1	0	361.486	1.265	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2csc(COC)n2)C[C@H]1C	ZINC001106852282	881126989	/nfs/dbraw/zinc/12/69/89/881126989.db2.gz	ITRVVHLNWJJLMY-HUUCEWRRSA-N	1	0	365.499	1.166	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](CC)[NH+](C)C)cn1	ZINC001004741435	881185040	/nfs/dbraw/zinc/18/50/40/881185040.db2.gz	XLBDBSJDPJBPDM-TVFCKZIOSA-N	1	0	354.454	1.265	20	30		FDEDRO
C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)Cc1csc(C#N)c1	ZINC000917185598	883176122	/nfs/dbraw/zinc/17/61/22/883176122.db2.gz	ITNTUOAFISFLLX-ZDUSSCGKSA-N	1	0	358.533	1.311	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](CCc2ccnn2C)C1	ZINC001033837147	883193073	/nfs/dbraw/zinc/19/30/73/883193073.db2.gz	KTUPASZMCYJJOC-OTWHNJEPSA-N	1	0	360.502	1.867	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1	ZINC000999398155	912682743	/nfs/dbraw/zinc/68/27/43/912682743.db2.gz	QLTQRYIDUFOWCX-OWQGQXMQSA-N	1	0	361.417	1.582	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1	ZINC001005410764	883265003	/nfs/dbraw/zinc/26/50/03/883265003.db2.gz	UIZVXZCQBKUUQG-QGTPRVQTSA-N	1	0	363.502	1.558	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1	ZINC000917536957	883508688	/nfs/dbraw/zinc/50/86/88/883508688.db2.gz	RODWRWFWZYVEHQ-UHFFFAOYSA-N	1	0	369.462	1.352	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1	ZINC001033952554	883573127	/nfs/dbraw/zinc/57/31/27/883573127.db2.gz	WEMUVVZZYMLKOK-KURKYZTESA-N	1	0	361.486	1.103	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N(C)C1CC[NH+](Cc2ccc(C#N)s2)CC1	ZINC001005520903	883896367	/nfs/dbraw/zinc/89/63/67/883896367.db2.gz	IOOZHDVXCBAFJF-GUYCJALGSA-N	1	0	363.483	1.846	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2CCCC[N@H+](Cc3cccc(C#N)c3)C2)C1	ZINC001034212825	883939510	/nfs/dbraw/zinc/93/95/10/883939510.db2.gz	NYJAHHXKSXTNAX-AYOQOUSVSA-N	1	0	368.481	1.944	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@]2(C)CCOC2)C3)CC1	ZINC001005527273	883965531	/nfs/dbraw/zinc/96/55/31/883965531.db2.gz	DFHSNEOZQXBVPS-DCXXXQMHSA-N	1	0	373.497	1.006	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](n2ccnn2)C1	ZINC001128891804	883969461	/nfs/dbraw/zinc/96/94/61/883969461.db2.gz	QEWRMLQKOYAKDV-XYPHTWIQSA-N	1	0	353.430	1.488	20	30		FDEDRO
CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1	ZINC001034256647	884007527	/nfs/dbraw/zinc/00/75/27/884007527.db2.gz	PABUQGYLCNUGBX-RCCFBDPRSA-N	1	0	358.486	1.882	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2nccn2CC)[C@@H](n2ccnn2)C1	ZINC001128935082	884157016	/nfs/dbraw/zinc/15/70/16/884157016.db2.gz	MFDWNTHZHCKWDN-XHSDSOJGSA-N	1	0	357.462	1.505	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]C[C@H](CC)OC)[C@H](C)C1	ZINC001106891170	884296170	/nfs/dbraw/zinc/29/61/70/884296170.db2.gz	YIONPDJFDDIHQF-ZACQAIPSSA-N	1	0	359.470	1.816	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c1	ZINC000245625562	884301552	/nfs/dbraw/zinc/30/15/52/884301552.db2.gz	QADGDLSRDPMKHY-ROUUACIJSA-N	1	0	371.462	1.472	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=O)c2ccccc2OCC[NH+](C)C)c1	ZINC000918343570	884336587	/nfs/dbraw/zinc/33/65/87/884336587.db2.gz	GIVDWPQHIVSVGW-UHFFFAOYSA-N	1	0	365.433	1.977	20	30		FDEDRO
N#CCOc1cccc(NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1	ZINC000918421077	884459003	/nfs/dbraw/zinc/45/90/03/884459003.db2.gz	NGYWFRCRSLDIKI-UHFFFAOYSA-N	1	0	370.453	1.862	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@@H]1n1ccnn1	ZINC001128989637	884830905	/nfs/dbraw/zinc/83/09/05/884830905.db2.gz	RRKTUOGABWIFTF-OIISXLGYSA-N	1	0	359.474	1.094	20	30		FDEDRO
N#CCOc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)CC2)cc1	ZINC001034736376	884929865	/nfs/dbraw/zinc/92/98/65/884929865.db2.gz	XHECNYCDMVXLQL-AHCXZYCDSA-N	1	0	370.453	1.227	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)CC1	ZINC001034741572	884937562	/nfs/dbraw/zinc/93/75/62/884937562.db2.gz	XWITXDHRCMALLD-HHARLNAUSA-N	1	0	370.515	1.029	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)n2)CC1	ZINC001034753113	884963793	/nfs/dbraw/zinc/96/37/93/884963793.db2.gz	INTGGXKIUUJUIC-LAQRGFTBSA-N	1	0	361.490	1.703	20	30		FDEDRO
C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C[C@@H](C)N1CC#N	ZINC000918861597	884974199	/nfs/dbraw/zinc/97/41/99/884974199.db2.gz	NRTOXHINNWZWOD-JFIYKMOQSA-N	1	0	363.506	1.258	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@@H]1n1ccnn1	ZINC001129003370	884988897	/nfs/dbraw/zinc/98/88/97/884988897.db2.gz	BNMMHVDTVRAJPZ-SJORKVTESA-N	1	0	359.474	1.096	20	30		FDEDRO
C=CCOCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N(CCC)CCC)C2	ZINC001111658927	885008971	/nfs/dbraw/zinc/00/89/71/885008971.db2.gz	VEDNWSUZCJJMSC-PXNSSMCTSA-N	1	0	365.518	1.808	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ncnn2CCC)C1	ZINC000999538160	912908714	/nfs/dbraw/zinc/90/87/14/912908714.db2.gz	IVJIXMWEJMKQBO-OBQMCRIKSA-N	1	0	361.490	1.748	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2nnc(C3CC3)[nH]2)C1	ZINC000999540797	912912129	/nfs/dbraw/zinc/91/21/29/912912129.db2.gz	ZNQMUMMRVKAVOI-NDTCATRNSA-N	1	0	359.474	1.742	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1n1ccnn1	ZINC001129020134	885252291	/nfs/dbraw/zinc/25/22/91/885252291.db2.gz	LKMZBBOWYRYJPY-ZACQAIPSSA-N	1	0	361.490	1.649	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCc3ccsc3)C[C@@H]2O)nc1	ZINC001083968903	912915905	/nfs/dbraw/zinc/91/59/05/912915905.db2.gz	KJTSRRWJIQCYKN-MSOLQXFVSA-N	1	0	355.463	1.532	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@@H]1n1ccnn1	ZINC001129025188	885280583	/nfs/dbraw/zinc/28/05/83/885280583.db2.gz	GXVYMEDIGNTEHJ-KSZLIROESA-N	1	0	361.490	1.935	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cnc(C)nc2OC)[C@@H](n2ccnn2)C1	ZINC001129042906	885512860	/nfs/dbraw/zinc/51/28/60/885512860.db2.gz	BUBBJVZYWMRQFG-CVEARBPZSA-N	1	0	371.445	1.007	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CC2(C(F)(F)F)CC2)[C@@H](n2ccnn2)C1	ZINC001129043097	885515586	/nfs/dbraw/zinc/51/55/86/885515586.db2.gz	HBQOFONRNNFRHD-OLZOCXBDSA-N	1	0	355.364	1.376	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCCCCF)C[C@@H]2n2ccnn2)CCC1	ZINC001129049510	885540750	/nfs/dbraw/zinc/54/07/50/885540750.db2.gz	ZCYGDVBQKZJMSS-SJORKVTESA-N	1	0	361.465	1.953	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)C/C=C\Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129054339	885586834	/nfs/dbraw/zinc/58/68/34/885586834.db2.gz	CTDAQCMZBLHEKT-KGMDJONISA-N	1	0	363.465	1.832	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)c2ccncc2)[C@@H](n2ccnn2)C1	ZINC001129064360	885651126	/nfs/dbraw/zinc/65/11/26/885651126.db2.gz	AUAQOLZQAJNFBD-JQHSSLGASA-N	1	0	354.458	1.785	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)C/C=C\c2ccccc2F)[C@@H](n2ccnn2)C1	ZINC001129065604	885668223	/nfs/dbraw/zinc/66/82/23/885668223.db2.gz	ZSKCEVBOYQXPCX-HQJRWBGDSA-N	1	0	367.428	1.886	20	30		FDEDRO
C=C(C)CN1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](n2ccnn2)C1	ZINC001129078789	885685862	/nfs/dbraw/zinc/68/58/62/885685862.db2.gz	FPNAFPDNLHEMCV-MSOLQXFVSA-N	1	0	369.473	1.117	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cncc(OC)c2C)[C@@H](n2ccnn2)C1	ZINC001129071706	885693870	/nfs/dbraw/zinc/69/38/70/885693870.db2.gz	KBYVCQLPLSIPSA-SJORKVTESA-N	1	0	370.457	1.612	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)CCc2cncnc2)[C@@H](n2ccnn2)C1	ZINC001129103276	885700997	/nfs/dbraw/zinc/70/09/97/885700997.db2.gz	JDKBRMYAAJGPJR-SJORKVTESA-N	1	0	355.446	1.009	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2CCC)[C@@H](n2ccnn2)C1	ZINC001129089274	885716182	/nfs/dbraw/zinc/71/61/82/885716182.db2.gz	JASZKYXDOQCQAD-QGTPRVQTSA-N	1	0	371.489	1.964	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCc2cccnc2)[C@@H](n2ccnn2)C1	ZINC001129098028	885727061	/nfs/dbraw/zinc/72/70/61/885727061.db2.gz	BNKRVWKNKUWWRN-MSOLQXFVSA-N	1	0	354.458	1.614	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)[C@@H](n2ccnn2)C1	ZINC001129098387	885729416	/nfs/dbraw/zinc/72/94/16/885729416.db2.gz	LIWFWYXDBYATGI-VQHPVUNQSA-N	1	0	361.490	1.504	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(OC)ccn2)[C@@H](n2ccnn2)C1	ZINC001129144742	885867720	/nfs/dbraw/zinc/86/77/20/885867720.db2.gz	RXOBVAJRNSZNAE-QGTPRVQTSA-N	1	0	370.457	1.692	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)NC3=O)C[C@H]1C	ZINC001106895453	885905314	/nfs/dbraw/zinc/90/53/14/885905314.db2.gz	OXXKXWRZKVCKMD-UKRRQHHQSA-N	1	0	355.438	1.834	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)C1	ZINC000919634877	885963074	/nfs/dbraw/zinc/96/30/74/885963074.db2.gz	LFYGJPBQRZMOLW-DLBZAZTESA-N	1	0	372.473	1.260	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N[C@@H](C)C3CC3)[C@H](C)C2)cn1	ZINC001106896468	886067471	/nfs/dbraw/zinc/06/74/71/886067471.db2.gz	LDMCPPRVQNBDFE-RVKKMQEKSA-N	1	0	368.481	1.275	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1n1ccnn1	ZINC001129189225	886119551	/nfs/dbraw/zinc/11/95/51/886119551.db2.gz	KBLIVJNMNSRYEB-KSZLIROESA-N	1	0	359.474	1.240	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[N@H+](CCC2CCOCC2)CCO1	ZINC001035540571	886128813	/nfs/dbraw/zinc/12/88/13/886128813.db2.gz	BSJDENFLUKOYEM-FHWLQOOXSA-N	1	0	366.502	1.601	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnc(C)n2C)[C@@H](n2ccnn2)C1	ZINC001129194403	886174817	/nfs/dbraw/zinc/17/48/17/886174817.db2.gz	CXSYLKZUDHMUMX-LXZKKBNFSA-N	1	0	357.462	1.330	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](CCC)c2ccccn2)[C@@H](n2ccnn2)C1	ZINC001129199630	886268310	/nfs/dbraw/zinc/26/83/10/886268310.db2.gz	LADKFXLCDVJXTB-QRQLOZEOSA-N	1	0	366.469	1.622	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](C)c2cccc(NS(C)(=O)=O)c2)CC1	ZINC000919966793	886473778	/nfs/dbraw/zinc/47/37/78/886473778.db2.gz	FWLNUQGFVHPQDU-CQSZACIVSA-N	1	0	363.483	1.581	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCc2ccc3c(c2)OCCO3)C[C@H]1NC(=O)C#CC1CC1	ZINC001212246120	886478751	/nfs/dbraw/zinc/47/87/51/886478751.db2.gz	LCCBAAWHSWGAKS-YLJYHZDGSA-N	1	0	370.449	1.229	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2cc(F)ccc2N2CCOCC2)CC1	ZINC000920021654	886552469	/nfs/dbraw/zinc/55/24/69/886552469.db2.gz	RCKASVKATYRCLM-UHFFFAOYSA-N	1	0	374.460	1.559	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1C[N@@H+](CC2CC(OCC)C2)C[C@@H]1n1ccnn1	ZINC001129209142	886566998	/nfs/dbraw/zinc/56/69/98/886566998.db2.gz	CCDNIYSEALHZDU-HIEASXQVSA-N	1	0	361.490	1.791	20	30		FDEDRO
C#CCO[C@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001060740464	886628643	/nfs/dbraw/zinc/62/86/43/886628643.db2.gz	HMLIBKLTKWEEQC-DUQPFJRNSA-N	1	0	363.502	1.156	20	30		FDEDRO
C=C1CCC(CNC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1	ZINC000924026270	886646966	/nfs/dbraw/zinc/64/69/66/886646966.db2.gz	WTTOJSMQEDTJNG-LJQANCHMSA-N	1	0	364.534	1.829	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C)cc2OC)C[C@H]1C	ZINC001106898365	886679246	/nfs/dbraw/zinc/67/92/46/886679246.db2.gz	FJOOULAWIQCHGE-HZPDHXFCSA-N	1	0	357.454	1.051	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)c1cccc(C#N)c1)C2	ZINC000920276316	886803055	/nfs/dbraw/zinc/80/30/55/886803055.db2.gz	WEVHCYRIGNCATM-BRSBDYLESA-N	1	0	363.483	1.316	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+](CCCOCC)C[C@@H]2n2ccnn2)CCC1	ZINC001129243919	886813319	/nfs/dbraw/zinc/81/33/19/886813319.db2.gz	YSFKLORLRGSRLH-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)CC3(C#N)CC3)C2)[C@@H]1C(C)C	ZINC000920302901	886840979	/nfs/dbraw/zinc/84/09/79/886840979.db2.gz	JMLQFEWSWJNOKD-PNBKFKSVSA-N	1	0	355.504	1.079	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2=O)CC1	ZINC000920616409	887096592	/nfs/dbraw/zinc/09/65/92/887096592.db2.gz	SJACGJSSOCKSRK-YJBOKZPZSA-N	1	0	354.454	1.577	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O)C1CC[NH+](C)CC1	ZINC000922900096	887159289	/nfs/dbraw/zinc/15/92/89/887159289.db2.gz	LTXKARRSCSWIEY-GOSISDBHSA-N	1	0	372.444	1.670	20	30		FDEDRO
C=C(Br)C[NH2+]CCNC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C	ZINC001127547827	887285518	/nfs/dbraw/zinc/28/55/18/887285518.db2.gz	UWIZNTVOHHPLJQ-TZMCWYRMSA-N	1	0	367.291	1.768	20	30		FDEDRO
C[C@H](Nc1ccn(C2CC[NH+](C)CC2)n1)C(=O)NC1(C#N)CCCCC1	ZINC000377499095	887593127	/nfs/dbraw/zinc/59/31/27/887593127.db2.gz	BLWDVDYXVZDAFM-HNNXBMFYSA-N	1	0	358.490	2.293	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)n2)c(F)c1	ZINC000415444869	887659959	/nfs/dbraw/zinc/65/99/59/887659959.db2.gz	RRMJWFKUOLVOCZ-SQWLQELKSA-N	1	0	368.416	2.474	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(N3CCNC3=O)cc2)CC1	ZINC000923028199	887807330	/nfs/dbraw/zinc/80/73/30/887807330.db2.gz	VEWFWSPUDWTBJU-HNNXBMFYSA-N	1	0	369.469	1.674	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)NC[C@H]1CCC[N@H+](C2CC2)[C@@H]1c1ccnn1C	ZINC000923051657	887923200	/nfs/dbraw/zinc/92/32/00/887923200.db2.gz	ZHKZXBJJXLZAFW-RKVPGOIHSA-N	1	0	359.474	1.019	20	30		FDEDRO
C#CCN(C(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1	ZINC000923118122	888080242	/nfs/dbraw/zinc/08/02/42/888080242.db2.gz	GYLDQRSPNNIXMR-ZACQAIPSSA-N	1	0	350.507	1.223	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nn(C)c3ccccc32)C[C@H]1C	ZINC001106901308	888104321	/nfs/dbraw/zinc/10/43/21/888104321.db2.gz	XILVMWIYMFDEIM-HUUCEWRRSA-N	1	0	369.469	1.173	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2ocnc2C(F)F)[C@@H](n2ccnn2)C1	ZINC001129279315	888129876	/nfs/dbraw/zinc/12/98/76/888129876.db2.gz	CRMKRDBCDLZRAT-NEPJUHHUSA-N	1	0	366.372	1.825	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](C[C@H](OC)C2CCCC2)C[C@H]1OC	ZINC001212262527	888166014	/nfs/dbraw/zinc/16/60/14/888166014.db2.gz	RAZRKMNRAACNCG-FGTMMUONSA-N	1	0	352.475	1.047	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001060751255	888308797	/nfs/dbraw/zinc/30/87/97/888308797.db2.gz	IOYAAGBDWYCAIO-CWQOZTLDSA-N	1	0	365.518	1.709	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2cc(C)ccc2F)C[C@H]1C	ZINC001106903501	888322328	/nfs/dbraw/zinc/32/23/28/888322328.db2.gz	ZEVWDYFGPHXMIP-NVXWUHKLSA-N	1	0	361.461	1.663	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2ccn(C)c(=O)c2)CC1	ZINC001006018894	888750858	/nfs/dbraw/zinc/75/08/58/888750858.db2.gz	KFFQBYZGYITSAZ-MSOLQXFVSA-N	1	0	359.470	1.399	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H]2C[C@H]2C2CCC2)CC1	ZINC000946885357	888770012	/nfs/dbraw/zinc/77/00/12/888770012.db2.gz	QSOXLLNALCNCMD-OTWHNJEPSA-N	1	0	357.498	1.627	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CC3CCC(F)(F)CC3)C[C@@H]2O)c1	ZINC001083765330	888895148	/nfs/dbraw/zinc/89/51/48/888895148.db2.gz	YXEIYDCAAVDRPF-SJORKVTESA-N	1	0	363.408	1.663	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000938608789	888947844	/nfs/dbraw/zinc/94/78/44/888947844.db2.gz	BDZAVWFSQJOSJW-YESZJQIVSA-N	1	0	357.458	1.290	20	30		FDEDRO
C#CCN(C(=O)NC[C@]1(C)COc2ccccc2O1)C1CC[NH+](C)CC1	ZINC000923387885	889096733	/nfs/dbraw/zinc/09/67/33/889096733.db2.gz	GSKBUBCCXDIZNL-HXUWFJFHSA-N	1	0	357.454	1.956	20	30		FDEDRO
C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1	ZINC001089693182	889104681	/nfs/dbraw/zinc/10/46/81/889104681.db2.gz	HWOILGVOAAVJFY-BBWFWOEESA-N	1	0	363.502	1.252	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)c1	ZINC000938705473	889134620	/nfs/dbraw/zinc/13/46/20/889134620.db2.gz	PKSQODUFCWYUNT-OKZBNKHCSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cn([C@H]3CCOC3)nc2C)[C@H](OC)C1	ZINC001212279239	889220478	/nfs/dbraw/zinc/22/04/78/889220478.db2.gz	HRJOLHIDZHKRCS-CGTJXYLNSA-N	1	0	362.474	1.548	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)c(OC)c1	ZINC000245841568	889279480	/nfs/dbraw/zinc/27/94/80/889279480.db2.gz	GMZIKJJSNQGQDP-DJIMGWMZSA-N	1	0	362.470	1.749	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1OCC[C@@H]1Cn1cccn1)C2	ZINC001112543618	889401517	/nfs/dbraw/zinc/40/15/17/889401517.db2.gz	LCVPTWOEIPKINX-HDAAZOAOSA-N	1	0	370.497	1.530	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1C[C@H](C[C@H]2COCC[NH2+]2)c2ccccc21	ZINC000923544330	889702646	/nfs/dbraw/zinc/70/26/46/889702646.db2.gz	KEDMXDSBBLTPGP-JYJNAYRXSA-N	1	0	372.469	1.369	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(S(C)(=O)=O)cc1	ZINC001127608959	889717074	/nfs/dbraw/zinc/71/70/74/889717074.db2.gz	KAQNIIUVCGZPCS-SJORKVTESA-N	1	0	366.483	1.277	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)COc1ccccc1C	ZINC001127612724	889902878	/nfs/dbraw/zinc/90/28/78/889902878.db2.gz	BDZADCASQIUOGV-KURKYZTESA-N	1	0	362.470	1.422	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)N(CC)CC(=C)C	ZINC001127613163	889940185	/nfs/dbraw/zinc/94/01/85/889940185.db2.gz	SKBIBKSBWRPQAD-BBWFWOEESA-N	1	0	351.491	1.487	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cnc3n2[C@H](C)CCC3)[C@H](OC)C1	ZINC001212301407	889982347	/nfs/dbraw/zinc/98/23/47/889982347.db2.gz	QNNILTCWMLVMDW-BFYDXBDKSA-N	1	0	362.474	1.412	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1(NC(=O)C[N@@H+](C)C(C)C)CCC1	ZINC001063186818	890281155	/nfs/dbraw/zinc/28/11/55/890281155.db2.gz	AXWZDYZXNXOKRR-WMZOPIPTSA-N	1	0	365.518	1.853	20	30		FDEDRO
C#Cc1ccc(C(=O)NC2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC2)nc1	ZINC001063221471	890323993	/nfs/dbraw/zinc/32/39/93/890323993.db2.gz	DNIYKNIDLQSYFQ-GDBMZVCRSA-N	1	0	354.454	1.172	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1OC	ZINC001212337621	890325352	/nfs/dbraw/zinc/32/53/52/890325352.db2.gz	XOIKUSNWWLOBTN-HUUCEWRRSA-N	1	0	367.877	1.479	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)c3c[nH]c(C#N)c3)CCC2)CC[N@@H+]1C	ZINC001063227451	890352331	/nfs/dbraw/zinc/35/23/31/890352331.db2.gz	PYHPRFACSRBHBL-JKSUJKDBSA-N	1	0	357.458	1.385	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c1	ZINC000249504076	890372212	/nfs/dbraw/zinc/37/22/12/890372212.db2.gz	JUZUIBPBZWOJQC-MOPGFXCFSA-N	1	0	372.513	1.937	20	30		FDEDRO
C=C(C)[C@H](CC(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1)OCC	ZINC001063272989	890405703	/nfs/dbraw/zinc/40/57/03/890405703.db2.gz	FVTZGQMHNXPXEI-ZACQAIPSSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2ccccc2)C[C@H]1C	ZINC001106914181	890542491	/nfs/dbraw/zinc/54/24/91/890542491.db2.gz	FOTMORJVJSVBEP-ZIFCJYIRSA-N	1	0	357.498	1.994	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)CC1	ZINC000939803399	891275456	/nfs/dbraw/zinc/27/54/56/891275456.db2.gz	ATMRJEPIMWMGEW-RDTXWAMCSA-N	1	0	371.485	1.583	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1	ZINC000940302009	892232258	/nfs/dbraw/zinc/23/22/58/892232258.db2.gz	WWKJWBIXZKVRKS-AKCHCHLHSA-N	1	0	363.477	1.575	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCCN2C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC001002339983	892612841	/nfs/dbraw/zinc/61/28/41/892612841.db2.gz	UMGJYUADCJFKBT-FVQBIDKESA-N	1	0	357.458	1.290	20	30		FDEDRO
N#Cc1cc(CS(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)cs1	ZINC000921911237	892797319	/nfs/dbraw/zinc/79/73/19/892797319.db2.gz	IRWHPUFOYCJVFF-CQSZACIVSA-N	1	0	355.485	1.292	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3CC(C)C)C2)CC1	ZINC001002478698	893034816	/nfs/dbraw/zinc/03/48/16/893034816.db2.gz	NTMLFDWYMJINAX-RTBURBONSA-N	1	0	359.514	1.588	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(OCC)cc2)C[C@H]1C	ZINC001106939769	893104883	/nfs/dbraw/zinc/10/48/83/893104883.db2.gz	KVHVXDQHDXCOJT-SOLBZPMBSA-N	1	0	371.481	1.521	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C3CC3)cn2)C[C@H]1C	ZINC001106935395	893137242	/nfs/dbraw/zinc/13/72/42/893137242.db2.gz	PGJAKSHSNOMXOC-RVKKMQEKSA-N	1	0	368.481	1.395	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccccc2F)C[C@H]1C	ZINC001106942364	893288158	/nfs/dbraw/zinc/28/81/58/893288158.db2.gz	GCYXZWVKXSHAHD-HLLBOEOZSA-N	1	0	359.445	1.190	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2CN(C)C(=O)[C@@H]2C[C@H]2CC)CC1	ZINC001002595891	893342036	/nfs/dbraw/zinc/34/20/36/893342036.db2.gz	XNHCXBZRCBDTFT-NZSAHSFTSA-N	1	0	359.514	1.827	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1	ZINC000940880268	893386102	/nfs/dbraw/zinc/38/61/02/893386102.db2.gz	JVFHDLASOGLRCN-RYQLBKOJSA-N	1	0	366.465	1.353	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)COCc2cc(C)on2)[C@H](OC)C1	ZINC001212452686	893440269	/nfs/dbraw/zinc/44/02/69/893440269.db2.gz	GVZZTHLPDGNBGU-IAOVAPTHSA-N	1	0	351.447	1.670	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)CC1(C)C	ZINC000941039945	893669557	/nfs/dbraw/zinc/66/95/57/893669557.db2.gz	VNBVAHBJJWIVQW-IXDOHACOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CCc3nnc(-c4ccccc4)n3C2)CC1	ZINC001127703133	893859117	/nfs/dbraw/zinc/85/91/17/893859117.db2.gz	VFRXYROYUQYLJR-MRXNPFEDSA-N	1	0	364.453	1.612	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CNC(=O)C2CCCCC2)C[C@H]1C	ZINC001106948775	893885507	/nfs/dbraw/zinc/88/55/07/893885507.db2.gz	MATCLDLBZYFQSZ-SJLPKXTDSA-N	1	0	365.518	1.570	20	30		FDEDRO
C[C@H]1C[N@H+](CCCC2(C#N)CCOCC2)CCN1c1nccn2cnnc12	ZINC000499564287	893988624	/nfs/dbraw/zinc/98/86/24/893988624.db2.gz	PDJOOCODFAVJNC-INIZCTEOSA-N	1	0	369.473	1.735	20	30		FDEDRO
C=CCn1cccc1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2	ZINC001002803679	894000602	/nfs/dbraw/zinc/00/06/02/894000602.db2.gz	NVERPUKADDFYIB-HZMVEIRTSA-N	1	0	356.470	1.488	20	30		FDEDRO
C#CCN(C(=O)N[C@H](C)CNC(=O)OC(C)(C)C)C1CC[NH+](C)CC1	ZINC000922020440	894292355	/nfs/dbraw/zinc/29/23/55/894292355.db2.gz	VEORAKBBDBLIDC-CQSZACIVSA-N	1	0	352.479	1.639	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)OC	ZINC000922023332	894423871	/nfs/dbraw/zinc/42/38/71/894423871.db2.gz	GFNTVVUGVNHJBC-JKSUJKDBSA-N	1	0	356.488	1.077	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(C(F)(F)F)cnn1C	ZINC000922024043	894432646	/nfs/dbraw/zinc/43/26/46/894432646.db2.gz	FYPUVRIQQWMYDD-UHFFFAOYSA-N	1	0	364.393	1.157	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cnn(Cc2ccccc2)c1	ZINC000922023961	894433855	/nfs/dbraw/zinc/43/38/55/894433855.db2.gz	NCDIOXLATOLWQJ-UHFFFAOYSA-N	1	0	372.494	1.650	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCNC(=O)C4)[C@@H]3C2)c1	ZINC001084275573	913902820	/nfs/dbraw/zinc/90/28/20/913902820.db2.gz	AGWXDJMVQWELOP-KZNAEPCWSA-N	1	0	352.438	1.117	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000941414904	894945172	/nfs/dbraw/zinc/94/51/72/894945172.db2.gz	BORIRCOOEHEELC-SZVBFZGTSA-N	1	0	371.481	1.922	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000941931715	896029106	/nfs/dbraw/zinc/02/91/06/896029106.db2.gz	IOOHAKAXMNVSDJ-ATZDWAIDSA-N	1	0	353.466	1.268	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)C[C@H]1C	ZINC001106962890	896047861	/nfs/dbraw/zinc/04/78/61/896047861.db2.gz	ZHFZHCSGXZEEGD-BZUAXINKSA-N	1	0	366.506	1.629	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCCOC[C@H]1C)C(C)C	ZINC000671082069	896162513	/nfs/dbraw/zinc/16/25/13/896162513.db2.gz	SHCCINSMJBEUOL-SJORKVTESA-N	1	0	351.491	1.439	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](CCOc2cccc(OC)c2)C1	ZINC001031987671	896163373	/nfs/dbraw/zinc/16/33/73/896163373.db2.gz	WLZLLLAVWFFSGR-MOPGFXCFSA-N	1	0	360.454	1.713	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)[C@H](OC)C1	ZINC000942120657	896399005	/nfs/dbraw/zinc/39/90/05/896399005.db2.gz	NIYLFRLHYOZIHC-OWCLPIDISA-N	1	0	351.491	1.415	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3ccncc3)nn2)C1	ZINC000999987481	896520551	/nfs/dbraw/zinc/52/05/51/896520551.db2.gz	OICCRCNCYODYLV-GBESFXJTSA-N	1	0	364.453	1.363	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)nn2)C1	ZINC000999995821	896540609	/nfs/dbraw/zinc/54/06/09/896540609.db2.gz	HYTPXWFUDFTVRC-GVDBMIGSSA-N	1	0	369.473	1.634	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cncn3)cc2)[C@H](OC)C1	ZINC001212426208	896738632	/nfs/dbraw/zinc/73/86/32/896738632.db2.gz	UEJXVPIRYGKOPG-QZTJIDSGSA-N	1	0	355.442	1.663	20	30		FDEDRO
C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)CC2(CCOCC2)C1	ZINC001089948660	896839688	/nfs/dbraw/zinc/83/96/88/896839688.db2.gz	ZMAOQQAPFNWUCZ-KZNAEPCWSA-N	1	0	370.497	1.534	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)c1	ZINC000942370500	896901223	/nfs/dbraw/zinc/90/12/23/896901223.db2.gz	PKSQODUFCWYUNT-FGTMMUONSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=C(C)C[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@]34C[C@H]3COC4)C2)n1	ZINC001128107546	896967426	/nfs/dbraw/zinc/96/74/26/896967426.db2.gz	TZEICOAWTPXORO-KNBMTAEXSA-N	1	0	356.470	1.479	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC001077970814	897240280	/nfs/dbraw/zinc/24/02/80/897240280.db2.gz	DSUXPFGVYAWONH-ATIWLJMLSA-N	1	0	365.518	1.709	20	30		FDEDRO
C#CC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@]34CCC[C@H]3OCC4)C2)n1	ZINC001128126281	897374527	/nfs/dbraw/zinc/37/45/27/897374527.db2.gz	NICDEVRMKRELIH-OPYAIIAOSA-N	1	0	368.481	1.459	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCc3ccnn3C)C[C@H]21	ZINC001084352603	914154711	/nfs/dbraw/zinc/15/47/11/914154711.db2.gz	HTXJEJXLSVGOTR-OWYHZJEWSA-N	1	0	358.486	1.477	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1	ZINC000921749915	897589068	/nfs/dbraw/zinc/58/90/68/897589068.db2.gz	RXVBLOJHMWGDGO-LJQANCHMSA-N	1	0	370.497	1.402	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC3CCC(F)(F)CC3)C[C@H]2O)cn1	ZINC001078032581	897677734	/nfs/dbraw/zinc/67/77/34/897677734.db2.gz	VSZVRWCXFZHTIN-IAGOWNOFSA-N	1	0	363.408	1.663	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCc3ccc(CC)cc3)C[C@H]2O)cn1	ZINC001078033259	897682302	/nfs/dbraw/zinc/68/23/02/897682302.db2.gz	ADGFRDIUPKVFRS-NHCUHLMSSA-N	1	0	363.461	1.643	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CNC(=O)c3cc(C#N)c[nH]3)CCC[C@@H]12	ZINC000995275243	897714122	/nfs/dbraw/zinc/71/41/22/897714122.db2.gz	MTEAYCFDRVMGIK-SQGPQFPESA-N	1	0	369.469	1.482	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCCC2=CCN(c3ccncc3C#N)CC2)CC[N@@H+]1C	ZINC001089869950	897777349	/nfs/dbraw/zinc/77/73/49/897777349.db2.gz	DUFXFOHGXPHFIT-CRAIPNDOSA-N	1	0	353.470	1.936	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCCC2=CCN(c3ccnc(C#N)n3)CC2)CC[N@@H+]1C	ZINC001089870080	897852579	/nfs/dbraw/zinc/85/25/79/897852579.db2.gz	GGRUREOOQHXZNE-GDBMZVCRSA-N	1	0	354.458	1.331	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O	ZINC001078082033	897907790	/nfs/dbraw/zinc/90/77/90/897907790.db2.gz	BPYNQMJYLSHKJU-WOJBJXKFSA-N	1	0	356.466	1.188	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1	ZINC000765929221	898155270	/nfs/dbraw/zinc/15/52/70/898155270.db2.gz	BVIGIIFSGUIHPQ-OAHLLOKOSA-N	1	0	374.416	1.800	20	30		FDEDRO
C#CCOc1ccccc1NCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1	ZINC000184625147	898337761	/nfs/dbraw/zinc/33/77/61/898337761.db2.gz	MBINCDUPFOTWKJ-KRWDZBQOSA-N	1	0	359.470	1.584	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NCC1=CC[N@H+](Cc2cccc(C#N)c2)CC1	ZINC001000798686	898648550	/nfs/dbraw/zinc/64/85/50/898648550.db2.gz	JHBXEUHEMRMUMC-KXBFYZLASA-N	1	0	355.438	1.610	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@H](C[NH+](CC)CC)C1	ZINC000184732673	898648727	/nfs/dbraw/zinc/64/87/27/898648727.db2.gz	PNUGGACVZMRUQA-MRXNPFEDSA-N	1	0	357.454	1.827	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccns2)C1	ZINC001078402038	898732567	/nfs/dbraw/zinc/73/25/67/898732567.db2.gz	CQDJFTUSQSUFPF-UAGQMJEPSA-N	1	0	365.499	1.831	20	30		FDEDRO
N#Cc1ccccc1C[NH2+]C[C@H]1CN(C(=O)[C@]23C[C@H]2COC3)CCCO1	ZINC001078403880	898740546	/nfs/dbraw/zinc/74/05/46/898740546.db2.gz	LHGQHWGRQOXAQH-BJLQDIEVSA-N	1	0	355.438	1.302	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2c(C)noc2C)C1	ZINC001078471969	898800552	/nfs/dbraw/zinc/80/05/52/898800552.db2.gz	KASFOZUSYQXMMJ-NUJGCVRESA-N	1	0	363.458	1.590	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cncs2)C1	ZINC001078473869	898807572	/nfs/dbraw/zinc/80/75/72/898807572.db2.gz	MOMGVVAYOZJFJF-IMJJTQAJSA-N	1	0	351.472	1.441	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cnns2)C1	ZINC001078486645	898843859	/nfs/dbraw/zinc/84/38/59/898843859.db2.gz	ZXUVVPRILFDIIP-KBMXLJTQSA-N	1	0	366.487	1.226	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@@]2(CNC(=O)[C@@]34CC[N@H+](C3)CCC4)CCC[C@@H]12	ZINC000995357577	898968491	/nfs/dbraw/zinc/96/84/91/898968491.db2.gz	DAAGSWCZOHEFDK-QIJUGHKUSA-N	1	0	369.509	1.773	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCNC(=O)c2cnccn2)C[C@H]1C	ZINC001107001526	899105051	/nfs/dbraw/zinc/10/50/51/899105051.db2.gz	WZRRXGVIKNTWHE-HZPDHXFCSA-N	1	0	359.474	1.247	20	30		FDEDRO
C=CCOCC(=O)N1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1	ZINC001061022124	899280771	/nfs/dbraw/zinc/28/07/71/899280771.db2.gz	DSZWCINERAVWBB-DLBZAZTESA-N	1	0	363.502	1.370	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C)cc1	ZINC000943784226	899376256	/nfs/dbraw/zinc/37/62/56/899376256.db2.gz	DCCVVQAICIHBCF-QYZOEREBSA-N	1	0	371.481	1.604	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCS2(=O)=O)C[C@H]1C	ZINC001107008522	899447734	/nfs/dbraw/zinc/44/77/34/899447734.db2.gz	OLENHJVTOMPNNO-BRWVUGGUSA-N	1	0	356.532	1.994	20	30		FDEDRO
C=C[C@H](C(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1)c1ccccc1	ZINC001107019274	899562685	/nfs/dbraw/zinc/56/26/85/899562685.db2.gz	ZJMUSXRLSNECQJ-QRQLOZEOSA-N	1	0	370.497	1.666	20	30		FDEDRO
CC(C)c1ccsc1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001107023701	899617773	/nfs/dbraw/zinc/61/77/73/899617773.db2.gz	RADXFFRKYQMZAJ-ZIAGYGMSSA-N	1	0	362.499	1.809	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC000944050752	899764250	/nfs/dbraw/zinc/76/42/50/899764250.db2.gz	ISALSHHHZPCQIL-BRWVUGGUSA-N	1	0	358.486	1.735	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2	ZINC000944049028	899792778	/nfs/dbraw/zinc/79/27/78/899792778.db2.gz	MDQIONNAEGRBKQ-IKGGRYGDSA-N	1	0	361.486	1.171	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCN2C(=O)[C@]23C[C@H]2CCC3)CC1	ZINC000944192482	899967354	/nfs/dbraw/zinc/96/73/54/899967354.db2.gz	ZFPKNZGDMVSASL-DBXWQHBBSA-N	1	0	357.498	1.629	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)CC)C[C@H]1C	ZINC001107035354	899986270	/nfs/dbraw/zinc/98/62/70/899986270.db2.gz	CQBPNXPBFCFYGY-ZYHUDNBSSA-N	1	0	367.309	1.014	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@@H](F)CC)[C@H](C)C1	ZINC001107036851	900033018	/nfs/dbraw/zinc/03/30/18/900033018.db2.gz	SOQQANSLHQHIJD-KFWWJZLASA-N	1	0	356.486	1.682	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3c(cccc3C)o2)C[C@H]1C	ZINC001107052483	900193726	/nfs/dbraw/zinc/19/37/26/900193726.db2.gz	UVAASGRMALZGLH-HZPDHXFCSA-N	1	0	367.449	1.788	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC3(CCN(C(=O)C#CC4CC4)C3)CC2)CC[N@@H+]1C	ZINC000944386884	900230007	/nfs/dbraw/zinc/23/00/07/900230007.db2.gz	JBDGIVZEOKGNQS-RBUKOAKNSA-N	1	0	371.525	1.971	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3ncnn3C)[C@H](C)C2)CCCCC1	ZINC001107059032	900308575	/nfs/dbraw/zinc/30/85/75/900308575.db2.gz	NSRSYZLSJIERNV-IAGOWNOFSA-N	1	0	357.502	1.973	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CCC#N)[C@H](C)C1	ZINC001107062723	900376946	/nfs/dbraw/zinc/37/69/46/900376946.db2.gz	QSNHFIMOKJQMCV-BRWVUGGUSA-N	1	0	364.490	1.024	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)[C@H](C)C1	ZINC001107063287	900449602	/nfs/dbraw/zinc/44/96/02/900449602.db2.gz	JGAVKGKMIBJWLT-RBSFLKMASA-N	1	0	363.506	1.877	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(CC)CC)[C@H](C)C1	ZINC001107065809	900457757	/nfs/dbraw/zinc/45/77/57/900457757.db2.gz	YJZJJXJWCLSKPF-BZUAXINKSA-N	1	0	353.507	1.566	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(=O)NC)[C@H](C)C2)CCCC1	ZINC001107099092	900944259	/nfs/dbraw/zinc/94/42/59/900944259.db2.gz	UYDIMFDOCXVHTA-HUUCEWRRSA-N	1	0	364.490	1.263	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C2)CCCC1	ZINC001107098694	900951946	/nfs/dbraw/zinc/95/19/46/900951946.db2.gz	DIBGUAQVPUOIJI-HZPDHXFCSA-N	1	0	356.532	1.852	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C2)CCCC1	ZINC001107098898	900961769	/nfs/dbraw/zinc/96/17/69/900961769.db2.gz	MOCBXYMWYSSFMD-ZIAGYGMSSA-N	1	0	350.463	1.002	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C)CC2	ZINC000944884240	901006805	/nfs/dbraw/zinc/00/68/05/901006805.db2.gz	LUOZXCSENMMDQF-IKGGRYGDSA-N	1	0	361.486	1.123	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)CC1	ZINC001079084800	901096454	/nfs/dbraw/zinc/09/64/54/901096454.db2.gz	VTSIXRYQQVUCCD-KURKYZTESA-N	1	0	365.518	1.759	20	30		FDEDRO
C#Cc1ccc(C(=O)NCC2(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCC2)cn1	ZINC001063834835	901155796	/nfs/dbraw/zinc/15/57/96/901155796.db2.gz	VHRXXWKXUZTPBX-ZWKOTPCHSA-N	1	0	368.481	1.562	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(C[C@H](CC)[N@@H+]2CCc3ccccc3C2)C1=O	ZINC000348422455	901310641	/nfs/dbraw/zinc/31/06/41/901310641.db2.gz	FLUKJLCRARKUJO-ZWKOTPCHSA-N	1	0	357.454	1.946	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCCN(c2cnc(C#N)cn2)C3)CC[N@@H+]1C	ZINC001064570407	901387336	/nfs/dbraw/zinc/38/73/36/901387336.db2.gz	JAYDTJWHNSHFMH-MDYRTPRTSA-N	1	0	368.485	1.507	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCCN(c2ccnc(C#N)n2)C3)CC[N@@H+]1C	ZINC001064570889	901389127	/nfs/dbraw/zinc/38/91/27/901389127.db2.gz	QTHGZTYJCAAEAF-JXXFODFXSA-N	1	0	368.485	1.507	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NC(=O)CC[NH+]2CCCCC2)CCC1	ZINC001064584558	901436870	/nfs/dbraw/zinc/43/68/70/901436870.db2.gz	SNJBNHPAPSHGPI-SJORKVTESA-N	1	0	363.502	1.609	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CNC(=O)C(CC)CC)C[C@H]1C	ZINC001107108618	901553525	/nfs/dbraw/zinc/55/35/25/901553525.db2.gz	FGQQMWKEOLUSFX-NVXWUHKLSA-N	1	0	353.507	1.426	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)CCCCCS(N)(=O)=O)C[C@H]1C	ZINC001107109126	901589836	/nfs/dbraw/zinc/58/98/36/901589836.db2.gz	PJCYPWDTNHULBV-HZPDHXFCSA-N	1	0	359.536	1.486	20	30		FDEDRO
N#Cc1ccc(N2C[C@@H]3CCN(C(=O)CCC[NH+]4CCCC4)[C@@H]3C2)nc1	ZINC001090318090	901641971	/nfs/dbraw/zinc/64/19/71/901641971.db2.gz	QYROOCBSFBRJPL-ZWKOTPCHSA-N	1	0	353.470	1.866	20	30		FDEDRO
C[NH+]=C(NCc1ccc(-n2nc(C)cc2C)nc1)N[C@@H]1CCN(C2CC2)C1	ZINC000083125809	901858222	/nfs/dbraw/zinc/85/82/22/901858222.db2.gz	PVDNXSXXRXQMIU-QGZVFWFLSA-N	1	0	367.501	1.786	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2COCCO2)C1	ZINC001079128049	901931557	/nfs/dbraw/zinc/93/15/57/901931557.db2.gz	HMDCVPRDGBZTSA-GUDVDZBRSA-N	1	0	360.454	1.052	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCNC(=O)C2)C1	ZINC001079132415	901945299	/nfs/dbraw/zinc/94/52/99/901945299.db2.gz	LPJDSGRZBFFCMW-GUDVDZBRSA-N	1	0	371.481	1.163	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+]Cc2cn(C)nn2)C1	ZINC001079149881	901980779	/nfs/dbraw/zinc/98/07/79/901980779.db2.gz	QHWHABBEXMNODG-JEBQAFNWSA-N	1	0	370.432	1.588	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CN2CN=NC2=O)CC[C@H]1c1ccc(F)cc1	ZINC001079150164	901981967	/nfs/dbraw/zinc/98/19/67/901981967.db2.gz	DRSKQVSTHOIMMR-JKSUJKDBSA-N	1	0	359.405	1.283	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2nnc(C)[nH]2)CC[C@H]1c1ccc(F)cc1	ZINC001079152356	901987338	/nfs/dbraw/zinc/98/73/38/901987338.db2.gz	IRWBKSHKSDVJLY-DLBZAZTESA-N	1	0	357.433	1.955	20	30		FDEDRO
C=CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1	ZINC001079134924	902001245	/nfs/dbraw/zinc/00/12/45/902001245.db2.gz	ZSDDNOCTVWXIJW-NJDAHSKKSA-N	1	0	369.509	1.588	20	30		FDEDRO
C=CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cn(C)ccc2=O)C1	ZINC001079137896	902013730	/nfs/dbraw/zinc/01/37/30/902013730.db2.gz	AYZDYLJUMPTJSM-UYAOXDASSA-N	1	0	367.449	1.259	20	30		FDEDRO
C#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCCC[N@H+]2C)C1	ZINC001079138200	902017674	/nfs/dbraw/zinc/01/76/74/902017674.db2.gz	SXCATONJXWSASL-VAMGGRTRSA-N	1	0	355.482	1.178	20	30		FDEDRO
C#Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H]2C[N@H+](CCO)C[C@H]2O)cc1	ZINC001079141692	902033602	/nfs/dbraw/zinc/03/36/02/902033602.db2.gz	SKFMHXIOOJLSCJ-NHCUHLMSSA-N	1	0	364.445	1.348	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)CC[C@H]1c1ccc(F)cc1	ZINC001079157113	902076047	/nfs/dbraw/zinc/07/60/47/902076047.db2.gz	ZYBFCUUOXOXPEN-OKZBNKHCSA-N	1	0	357.429	1.211	20	30		FDEDRO
C=CC[NH+]1CCC(N2C(=O)N[C@H]3CN(C(=O)[C@@H]4C[C@H]4CC)CC[C@H]32)CC1	ZINC001079165451	902094972	/nfs/dbraw/zinc/09/49/72/902094972.db2.gz	TZYRIGDNQYDOFV-NRSFXHEJSA-N	1	0	360.502	1.678	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccnc(OC)c2)C[C@H]1c1cccc(F)c1	ZINC001079198842	902099138	/nfs/dbraw/zinc/09/91/38/902099138.db2.gz	VCCGPCIWQRFOJV-RBUKOAKNSA-N	1	0	367.424	1.989	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CCO)C1	ZINC001079202252	902103114	/nfs/dbraw/zinc/10/31/14/902103114.db2.gz	UFQUWOBHVMEOPB-OKYOBFRVSA-N	1	0	362.445	1.683	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cncc(OC)n2)C[C@H]1c1cccc(F)c1	ZINC001079202501	902103434	/nfs/dbraw/zinc/10/34/34/902103434.db2.gz	YCNVZKAINWPKLY-DOTOQJQBSA-N	1	0	354.385	1.455	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1c1cccc(F)c1	ZINC001079185526	902128576	/nfs/dbraw/zinc/12/85/76/902128576.db2.gz	VFLNNNKKQYGGDJ-DLBZAZTESA-N	1	0	366.458	1.330	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3n[nH]nc3n2)C[C@H]1c1cccc(F)c1	ZINC001079186452	902132199	/nfs/dbraw/zinc/13/21/99/902132199.db2.gz	MCSVZXSSBBXHLI-WMLDXEAASA-N	1	0	366.400	1.876	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3ccnc3C2)C[C@H]1c1cccc(F)c1	ZINC001079188489	902136867	/nfs/dbraw/zinc/13/68/67/902136867.db2.gz	BEKODYDFPVIQAR-YTQUADARSA-N	1	0	366.440	1.802	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](OC)c2cnn(C)c2)C[C@H]1c1cccc(F)c1	ZINC001079192586	902151123	/nfs/dbraw/zinc/15/11/23/902151123.db2.gz	PKAGVVLZRYCSRD-IPMKNSEASA-N	1	0	370.428	1.464	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cncc(C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079231580	902165073	/nfs/dbraw/zinc/16/50/73/902165073.db2.gz	RLAFJAICIAPOEE-RBUKOAKNSA-N	1	0	353.466	1.966	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3ccc(C)nn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079240950	902190121	/nfs/dbraw/zinc/19/01/21/902190121.db2.gz	GXASWDOGJYYEGY-FUHWJXTLSA-N	1	0	354.454	1.361	20	30		FDEDRO
Cn1cncc1C[NH+]1CCC2(CN(C(=O)C#CC3CC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079241120	902191820	/nfs/dbraw/zinc/19/18/20/902191820.db2.gz	KRZIWUFKHODJMH-RBUKOAKNSA-N	1	0	368.481	1.273	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cn(C4CCC4)nn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079241872	902195388	/nfs/dbraw/zinc/19/53/88/902195388.db2.gz	GXMMZPLZJGUEPM-FUHWJXTLSA-N	1	0	369.469	1.189	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)CCn3cccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079224858	902230385	/nfs/dbraw/zinc/23/03/85/902230385.db2.gz	IEYCBKKFNUKKKK-ZWKOTPCHSA-N	1	0	356.470	1.236	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3cncnc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079225001	902231780	/nfs/dbraw/zinc/23/17/80/902231780.db2.gz	PCYVAPYVGZDFAT-ZWKOTPCHSA-N	1	0	356.470	1.914	20	30		FDEDRO
C=C(Cl)CN1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079227359	902239252	/nfs/dbraw/zinc/23/92/52/902239252.db2.gz	PJXPNICSYGJNMI-GVDBMIGSSA-N	1	0	367.921	1.773	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ccc(OCC)nc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079244736	902249546	/nfs/dbraw/zinc/24/95/46/902249546.db2.gz	CCARZDSUKIZXAH-ZWKOTPCHSA-N	1	0	369.465	1.667	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CCCO2)C3)CC1	ZINC000995805508	902254241	/nfs/dbraw/zinc/25/42/41/902254241.db2.gz	ITCQZBHOCSRFMT-XWSJACJDSA-N	1	0	373.497	1.149	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)CCc3cnn(C)c3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079245121	902254348	/nfs/dbraw/zinc/25/43/48/902254348.db2.gz	YBFOEHDQXCUEKL-RBUKOAKNSA-N	1	0	370.497	1.234	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3c(C)ncn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079246011	902257183	/nfs/dbraw/zinc/25/71/83/902257183.db2.gz	OVQIFXRSHKODBO-DLBZAZTESA-N	1	0	356.470	1.305	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)Cc3ccc(F)cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079248226	902264547	/nfs/dbraw/zinc/26/45/47/902264547.db2.gz	MWTDQGAPVJHNID-ZWKOTPCHSA-N	1	0	357.429	1.336	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3ccnnc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079249941	902266814	/nfs/dbraw/zinc/26/68/14/902266814.db2.gz	CIQISVPVEFRTPK-ZWKOTPCHSA-N	1	0	356.470	1.914	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc(Cl)cn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079251054	902270647	/nfs/dbraw/zinc/27/06/47/902270647.db2.gz	COHBKJYJUNPBBB-DOTOQJQBSA-N	1	0	361.873	1.865	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3coc(C(N)=O)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079252933	902276301	/nfs/dbraw/zinc/27/63/01/902276301.db2.gz	SXYKZMRUIQSXSF-LSDHHAIUSA-N	1	0	359.426	1.118	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cc(OC)ccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079254644	902281119	/nfs/dbraw/zinc/28/11/19/902281119.db2.gz	MRWWDNHKGDTHAP-FUHWJXTLSA-N	1	0	357.454	1.829	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3csc(=O)[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079255582	902284163	/nfs/dbraw/zinc/28/41/63/902284163.db2.gz	CXEDVDZCZQDHCC-DZGCQCFKSA-N	1	0	361.467	1.425	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)Cc3cccnc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079260912	902300623	/nfs/dbraw/zinc/30/06/23/902300623.db2.gz	WEDASGOQNITNRB-RBUKOAKNSA-N	1	0	353.466	1.505	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCO[C@H]3C=C)[C@@H]3COC[C@@H]32)CC1	ZINC001079261879	902301714	/nfs/dbraw/zinc/30/17/14/902301714.db2.gz	MVFQLZXCNUUYAK-HCXYKTFWSA-N	1	0	358.482	1.540	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@@H]3COC[C@@H]32)CC1	ZINC001079262773	902302753	/nfs/dbraw/zinc/30/27/53/902302753.db2.gz	AHWGWPATDKKUAV-FQBWVUSXSA-N	1	0	358.482	1.517	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cccn2C)C3)CC1	ZINC000995788858	902305978	/nfs/dbraw/zinc/30/59/78/902305978.db2.gz	WWYIFQBJNGFITI-SQNIBIBYSA-N	1	0	368.481	1.232	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)C[C@@H](C)n3ccnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079263554	902306590	/nfs/dbraw/zinc/30/65/90/902306590.db2.gz	AYNSELKCPPHNKX-FGTMMUONSA-N	1	0	358.486	1.960	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)CCc3cn[nH]c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079265379	902310757	/nfs/dbraw/zinc/31/07/57/902310757.db2.gz	GUNBRHYUCAMZCF-ZWKOTPCHSA-N	1	0	358.486	1.858	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CN(C(=O)c3ncccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079266466	902313997	/nfs/dbraw/zinc/31/39/97/902313997.db2.gz	BERNRMGNIIXQGX-DLBZAZTESA-N	1	0	356.470	1.996	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cnc(C)nc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079266555	902315124	/nfs/dbraw/zinc/31/51/24/902315124.db2.gz	FYWZXMWFWBZWDB-ZWKOTPCHSA-N	1	0	354.454	1.280	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CN(C(=O)c3cccnn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079268017	902317770	/nfs/dbraw/zinc/31/77/70/902317770.db2.gz	HWAJKBNOBMIXFJ-FUHWJXTLSA-N	1	0	356.470	1.996	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cnn4cc[nH]c34)[C@@H]3COC[C@@H]32)CC1	ZINC001079271509	902334093	/nfs/dbraw/zinc/33/40/93/902334093.db2.gz	RXCONZUWDIGNSK-DLBZAZTESA-N	1	0	367.453	1.239	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@@H](C)c3ccnn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079242984	902339101	/nfs/dbraw/zinc/33/91/01/902339101.db2.gz	DOUPCWSCQHJOAZ-XYJFISCASA-N	1	0	358.486	1.649	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2COCCN2CC)C[C@H]1c1ccccc1F	ZINC001079300321	902345011	/nfs/dbraw/zinc/34/50/11/902345011.db2.gz	BWCHVSJLINRLQW-QXAKKESOSA-N	1	0	359.445	1.064	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccnn2CCOC)C[C@H]1c1ccccc1F	ZINC001079299674	902345065	/nfs/dbraw/zinc/34/50/65/902345065.db2.gz	ZMHVDAPBAPEVIV-FUHWJXTLSA-N	1	0	370.428	1.500	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2COC)C[C@H]1c1ccccc1F	ZINC001079300539	902345821	/nfs/dbraw/zinc/34/58/21/902345821.db2.gz	NIFNEVVUMUNXTA-MAUKXSAKSA-N	1	0	370.428	1.537	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1c1ccccc1F	ZINC001079302261	902350361	/nfs/dbraw/zinc/35/03/61/902350361.db2.gz	USKJITUSFJBIMZ-JLJPHGGASA-N	1	0	366.458	1.330	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@H]3COc4ccccc43)[C@@H]3COC[C@@H]32)CC1	ZINC001079276022	902360428	/nfs/dbraw/zinc/36/04/28/902360428.db2.gz	YDJZDAWARJCTFH-GBESFXJTSA-N	1	0	366.461	1.735	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(=O)N2CCC2)C1	ZINC001079295721	902400655	/nfs/dbraw/zinc/40/06/55/902400655.db2.gz	QIJRRKTVSOZLNZ-PKOBYXMFSA-N	1	0	369.440	1.355	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC)C2)C[C@H]1c1ccccc1F	ZINC001079296711	902401982	/nfs/dbraw/zinc/40/19/82/902401982.db2.gz	NXSCWWNOJFARGP-UWWQBHOKSA-N	1	0	359.445	1.764	20	30		FDEDRO
C=C(Br)CN1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H]2C1	ZINC001084406122	914624970	/nfs/dbraw/zinc/62/49/70/914624970.db2.gz	HAWDTYPVQKHQNY-RBSFLKMASA-N	1	0	356.308	1.768	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N2C[C@@H](c3ccccc3F)[C@H](NCC#N)C2)CC1	ZINC001079314752	902409089	/nfs/dbraw/zinc/40/90/89/902409089.db2.gz	JOSFUHRVHJHSCS-PKOBYXMFSA-N	1	0	358.461	1.965	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N2CCCC2=O)C[C@H]1c1ccccc1F	ZINC001079320950	902422913	/nfs/dbraw/zinc/42/29/13/902422913.db2.gz	SZWOTGJBXKYLLS-UHOSZYNNSA-N	1	0	371.456	1.744	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@H]1c1ccccc1F	ZINC001079307485	902440153	/nfs/dbraw/zinc/44/01/53/902440153.db2.gz	NHCYRHGATZYWDC-FUHWJXTLSA-N	1	0	358.417	1.708	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+][C@@H](C)C(N)=O)C2)C1	ZINC001079309866	902444417	/nfs/dbraw/zinc/44/44/17/902444417.db2.gz	VMINAHOVQQTCFN-JLJPHGGASA-N	1	0	359.445	1.940	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)c1cnn(C)c1	ZINC001079402036	902557021	/nfs/dbraw/zinc/55/70/21/902557021.db2.gz	WZYZAUHPDVZSBV-RDTXWAMCSA-N	1	0	353.426	1.573	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C3)cn1	ZINC000995914665	902691988	/nfs/dbraw/zinc/69/19/88/902691988.db2.gz	ULJVIKINUPDPOR-VSZNYVQBSA-N	1	0	352.438	1.019	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc[nH]c(=O)c3)C2)cc1C#N	ZINC001079561456	902772790	/nfs/dbraw/zinc/77/27/90/902772790.db2.gz	HGRSGSMKBDHGAW-CXAGYDPISA-N	1	0	366.421	1.918	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]([NH2+]Cc3cccc(C#N)c3)C(C)(C)C2)O1	ZINC000995959820	902792077	/nfs/dbraw/zinc/79/20/77/902792077.db2.gz	SJSZJOLAJUTESW-LZQZEXGQSA-N	1	0	370.497	1.604	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@]23CC[N@H+](C2)CCC3)[nH]1	ZINC000996098304	903078468	/nfs/dbraw/zinc/07/84/68/903078468.db2.gz	RMLUGAWXASPBQD-FKKBTLCVSA-N	1	0	367.453	1.234	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C#N)[nH]1)C2	ZINC000996103906	903087119	/nfs/dbraw/zinc/08/71/19/903087119.db2.gz	MSBXHLZBODASED-LAVFITLUSA-N	1	0	369.469	1.622	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc3c[nH]ccc-3n2)c[nH]1	ZINC000996120718	903146471	/nfs/dbraw/zinc/14/64/71/903146471.db2.gz	AUBPCXXYWBUVHA-HFTRVMKXSA-N	1	0	374.404	1.938	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(C#N)c1)C2	ZINC000996120753	903146514	/nfs/dbraw/zinc/14/65/14/903146514.db2.gz	BXZWPILPKWREGZ-QZWWFDLISA-N	1	0	355.442	1.232	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1nnn(C(C)(C)C)n1	ZINC001079738704	903170409	/nfs/dbraw/zinc/17/04/09/903170409.db2.gz	NJHZWMQNKFHYTN-CZUORRHYSA-N	1	0	367.457	1.550	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000764044889	903180165	/nfs/dbraw/zinc/18/01/65/903180165.db2.gz	QOAGURBJMXSIFX-UHFFFAOYSA-N	1	0	365.499	1.382	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1ccnc2ccnn21	ZINC001079838914	903468832	/nfs/dbraw/zinc/46/88/32/903468832.db2.gz	SLKFRQZWJVKUKG-RHSMWYFYSA-N	1	0	360.421	1.851	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C[C@@H]3CCNC3=O)C2)cc1C#N	ZINC001079840990	903474732	/nfs/dbraw/zinc/47/47/32/903474732.db2.gz	CYUWDBLWTWJXJL-UKPHBRMFSA-N	1	0	370.453	1.030	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1C	ZINC001079878049	903600345	/nfs/dbraw/zinc/60/03/45/903600345.db2.gz	CXZYJTMWHIFBEZ-LZQZEXGQSA-N	1	0	357.502	1.034	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1	ZINC000996313754	903677081	/nfs/dbraw/zinc/67/70/81/903677081.db2.gz	GPALGHWYENWGRB-KSZLIROESA-N	1	0	361.486	1.169	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1	ZINC000996371292	903796115	/nfs/dbraw/zinc/79/61/15/903796115.db2.gz	JPCQUDKMRMNAKB-XWSJACJDSA-N	1	0	357.498	1.911	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2	ZINC000996560363	904172314	/nfs/dbraw/zinc/17/23/14/904172314.db2.gz	OXYDCKDTNWDBOA-AABGKKOBSA-N	1	0	365.477	1.554	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(Cl)o3)CCC[C@@H]12	ZINC001107279081	904273702	/nfs/dbraw/zinc/27/37/02/904273702.db2.gz	KIHTVMUQNDPPNL-CXAGYDPISA-N	1	0	364.833	1.547	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)c2nnc(CC)[nH]2)CC1	ZINC000996600739	904313784	/nfs/dbraw/zinc/31/37/84/904313784.db2.gz	KYLVPNHJFGWCDT-IMJJTQAJSA-N	1	0	361.490	1.990	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H]2CCc3ncnn32)CC1	ZINC000996601308	904320288	/nfs/dbraw/zinc/32/02/88/904320288.db2.gz	QBTNQHUIUIANEK-BBWFWOEESA-N	1	0	359.474	1.327	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)COC3CCCC3)CCC[C@@H]12	ZINC001107301668	904357491	/nfs/dbraw/zinc/35/74/91/904357491.db2.gz	JUDIXYOVYAFQIF-YLJYHZDGSA-N	1	0	363.502	1.609	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C)n(C)n3)CCC[C@@H]12	ZINC001107302238	904361535	/nfs/dbraw/zinc/36/15/35/904361535.db2.gz	YZRLYJKZKGWHJS-VQIMIIECSA-N	1	0	359.474	1.005	20	30		FDEDRO
CC(=O)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccc(C#N)cc1)CC2	ZINC001107291409	904367045	/nfs/dbraw/zinc/36/70/45/904367045.db2.gz	ZMHQQJCLPLWWKI-TZIWHRDSSA-N	1	0	368.481	1.897	20	30		FDEDRO
CC(=O)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccc1C#N)CC2	ZINC001107292878	904372516	/nfs/dbraw/zinc/37/25/16/904372516.db2.gz	PPOZVSFLEWYZMY-TZIWHRDSSA-N	1	0	368.481	1.897	20	30		FDEDRO
COC(=O)NCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccc(C#N)c1)CC2	ZINC001107303446	904389120	/nfs/dbraw/zinc/38/91/20/904389120.db2.gz	WJJZIWCZVLOKLB-YLJYHZDGSA-N	1	0	370.453	1.775	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)CCC)CCC[C@@H]12	ZINC001107310072	904409810	/nfs/dbraw/zinc/40/98/10/904409810.db2.gz	WFNDUSBCIQJEMP-VQIMIIECSA-N	1	0	351.491	1.466	20	30		FDEDRO
CC(C)CO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107310941	904413450	/nfs/dbraw/zinc/41/34/50/904413450.db2.gz	SHXHLGZYPBSLSB-GPMSIDNRSA-N	1	0	364.490	1.048	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC1CC1)CC2	ZINC001107318064	904443651	/nfs/dbraw/zinc/44/36/51/904443651.db2.gz	HSXSPWVHEGYFAY-XAUMDUMWSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnnn1C)CC2	ZINC001107318752	904444876	/nfs/dbraw/zinc/44/48/76/904444876.db2.gz	YIXPYXNZHODUNI-KVSKMBFKSA-N	1	0	361.490	1.657	20	30		FDEDRO
C=CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCO[C@@H](C)C1)CC2	ZINC001107326665	904482495	/nfs/dbraw/zinc/48/24/95/904482495.db2.gz	CXSXBMBSMGBMNE-SQGPQFPESA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H](O)CN1CCCC1=O)CC2	ZINC001107327088	904483663	/nfs/dbraw/zinc/48/36/63/904483663.db2.gz	QWPINPBARNLNOW-SQGPQFPESA-N	1	0	363.502	1.297	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCC(C)CC1)CC2	ZINC001107329265	904493517	/nfs/dbraw/zinc/49/35/17/904493517.db2.gz	NXWUFEIBVMRISZ-SQGPQFPESA-N	1	0	360.502	1.765	20	30		FDEDRO
CC(C)CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C#N)[nH]3)CCC[C@@H]12	ZINC001107363776	904564298	/nfs/dbraw/zinc/56/42/98/904564298.db2.gz	PTCSCSXARLMVIO-YLJYHZDGSA-N	1	0	371.485	1.633	20	30		FDEDRO
C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccc1F)CC2	ZINC001107366938	904576114	/nfs/dbraw/zinc/57/61/14/904576114.db2.gz	ZYAUFDCVVAHSNZ-WIYYLYMNSA-N	1	0	371.456	1.826	20	30		FDEDRO
C#CCCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCNS(C)(=O)=O)CC2	ZINC001107372641	904600895	/nfs/dbraw/zinc/60/08/95/904600895.db2.gz	NDQHJAXXPPCRPS-SJLPKXTDSA-N	1	0	369.531	1.090	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(CC)CC)CC2	ZINC001107378825	904622419	/nfs/dbraw/zinc/62/24/19/904622419.db2.gz	OBZYCCRGIGANGB-NSISKUIASA-N	1	0	365.518	1.543	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCCCC)CC2	ZINC001107379013	904624018	/nfs/dbraw/zinc/62/40/18/904624018.db2.gz	WNPRJXDVDBPEAW-LSTHTHJFSA-N	1	0	365.518	1.591	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3sccc3F)CCC[C@@H]12	ZINC001107390136	904640043	/nfs/dbraw/zinc/64/00/43/904640043.db2.gz	WJOZMJLLLAVFOR-RDTXWAMCSA-N	1	0	363.458	1.611	20	30		FDEDRO
CO[C@@H]1CN(Cc2cn(C(C)C)nc2C)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC001081507175	904717619	/nfs/dbraw/zinc/71/76/19/904717619.db2.gz	IIWBPVYGODHBIW-QZTJIDSGSA-N	1	0	370.457	1.601	20	30		FDEDRO
CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](OC)C1)c1ccccc1	ZINC001081507404	904719783	/nfs/dbraw/zinc/71/97/83/904719783.db2.gz	UIUFWASDJXPWTP-CEXWTWQISA-N	1	0	368.437	1.703	20	30		FDEDRO
CC(C)COC[C@@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)C#CC3CC3)CCC[C@@H]12	ZINC001107399644	904729526	/nfs/dbraw/zinc/72/95/26/904729526.db2.gz	BOWJCXVPMIDIEG-QKNQBKEWSA-N	1	0	362.514	1.794	20	30		FDEDRO
CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2C)C1	ZINC001080077873	904738876	/nfs/dbraw/zinc/73/88/76/904738876.db2.gz	VVCVDKHZPLCDDT-CDHQVMDDSA-N	1	0	368.481	1.753	20	30		FDEDRO
C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1snnc1C)CC2	ZINC001107404938	904749321	/nfs/dbraw/zinc/74/93/21/904749321.db2.gz	WKLFXBOLZYDPND-SJLPKXTDSA-N	1	0	362.499	1.747	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N(C)CC(=O)Nc1ccc(Br)cn1	ZINC000764472185	904756416	/nfs/dbraw/zinc/75/64/16/904756416.db2.gz	RKBLPXJKSKZEKU-UHFFFAOYSA-N	1	0	355.236	1.359	20	30		FDEDRO
COc1cnc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)nc1	ZINC001080097329	904763874	/nfs/dbraw/zinc/76/38/74/904763874.db2.gz	WJMMCFWTVYJGJX-CXAGYDPISA-N	1	0	351.410	1.607	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[C@@H](C)CC(=O)N3)CCC[C@@H]12	ZINC001107408202	904764995	/nfs/dbraw/zinc/76/49/95/904764995.db2.gz	OWVXXAIEYUWJBY-WOCWXWTJSA-N	1	0	363.502	1.465	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1	ZINC000764481831	904811209	/nfs/dbraw/zinc/81/12/09/904811209.db2.gz	YYEXUPIZOMVAEF-VDGAXYAQSA-N	1	0	370.497	1.730	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(CC)C(=O)C[N@@H+](C)CCC)C1	ZINC001080193982	904867951	/nfs/dbraw/zinc/86/79/51/904867951.db2.gz	MOCZLVATYFQPQR-WMZOPIPTSA-N	1	0	351.491	1.369	20	30		FDEDRO
C=CC(C)(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCNS(C)(=O)=O)CC2	ZINC001107420917	904869007	/nfs/dbraw/zinc/86/90/07/904869007.db2.gz	PHJTXNHHUVWWHD-CRAIPNDOSA-N	1	0	371.547	1.499	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C(C)C	ZINC001081659276	904894447	/nfs/dbraw/zinc/89/44/47/904894447.db2.gz	USNPPLBFBXPASA-HSALFYBXSA-N	1	0	370.497	1.746	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3cnc(C)o3)CCC[C@@H]12	ZINC001107436044	904897515	/nfs/dbraw/zinc/89/75/15/904897515.db2.gz	KJSHFWUSRHXLQO-VQIMIIECSA-N	1	0	360.458	1.189	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)C(C)(C)[NH+]2CCCC2)C1	ZINC001080210235	904908130	/nfs/dbraw/zinc/90/81/30/904908130.db2.gz	AOHDIXYQVVZBLO-SJORKVTESA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccn(C3CCOCC3)n2)[C@H](OC)C1	ZINC001081668531	904910637	/nfs/dbraw/zinc/91/06/37/904910637.db2.gz	OAVHZBZSTCUBJJ-QZTJIDSGSA-N	1	0	362.474	1.630	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cncc(COC)c3)CCC[C@@H]12	ZINC001107439821	904923160	/nfs/dbraw/zinc/92/31/60/904923160.db2.gz	UXSPCSAARZOBKF-TZIWHRDSSA-N	1	0	371.481	1.852	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC3(F)F)CCC[C@@H]12	ZINC001107446836	904964242	/nfs/dbraw/zinc/96/42/42/904964242.db2.gz	VJJNWEDGNMZVBR-WOSRLPQWSA-N	1	0	354.401	1.032	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)Cn3nnc(-c4ccco4)n3)CCC[C@@H]12	ZINC001107459085	904978458	/nfs/dbraw/zinc/97/84/58/904978458.db2.gz	MNQNVDKERWCFDZ-VQIMIIECSA-N	1	0	368.441	1.317	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc(OC)n(C)n3)CCC[C@@H]12	ZINC001107466355	905040374	/nfs/dbraw/zinc/04/03/74/905040374.db2.gz	FSGANBHKOGPAMT-VQIMIIECSA-N	1	0	360.458	1.053	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc(Cl)n(C)n3)CCC[C@@H]12	ZINC001107466568	905044391	/nfs/dbraw/zinc/04/43/91/905044391.db2.gz	TURSGDHZEAMDGT-CRAIPNDOSA-N	1	0	364.877	1.698	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@]2(C3CCCC3)CCNC2=O)[C@H](OC)C1	ZINC001081811430	905134727	/nfs/dbraw/zinc/13/47/27/905134727.db2.gz	XOTGFWZTIFCYNH-HLIPFELVSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)CCC[C@@H]12	ZINC001107479773	905153072	/nfs/dbraw/zinc/15/30/72/905153072.db2.gz	NBOREQJJPCVBMJ-AXVVYFOYSA-N	1	0	363.502	1.736	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)Cc3ccccc3C(N)=O)CCC[C@@H]12	ZINC001107494739	905195695	/nfs/dbraw/zinc/19/56/95/905195695.db2.gz	XJSWWNFEMIBHRI-WIYYLYMNSA-N	1	0	353.466	1.712	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](C[C@@H](O)COC)CC3)cc1	ZINC001107494751	905196132	/nfs/dbraw/zinc/19/61/32/905196132.db2.gz	XWVPYJUYAYWQAZ-SFHLNBCPSA-N	1	0	356.466	1.650	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2	ZINC001107488519	905211245	/nfs/dbraw/zinc/21/12/45/905211245.db2.gz	LSBIMJBOKGNRFW-YZGWKJHDSA-N	1	0	368.518	1.585	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)[C@H](OC)C1	ZINC001081852133	905235326	/nfs/dbraw/zinc/23/53/26/905235326.db2.gz	FMUQVEJSQIJHCA-SYQHCUMBSA-N	1	0	366.380	1.114	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)CSCC#N)CC[N@@H+]1C	ZINC001081898705	905262324	/nfs/dbraw/zinc/26/23/24/905262324.db2.gz	IRIKATSWLWRGOM-QLFBSQMISA-N	1	0	352.504	1.081	20	30		FDEDRO
CCCCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CNC(=O)N3)CCC[C@@H]12	ZINC001107522594	905301894	/nfs/dbraw/zinc/30/18/94/905301894.db2.gz	JQFOMMSZAIBERH-FRQCXROJSA-N	1	0	350.507	1.999	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc[nH]c3C3CC3)CCC[C@@H]12	ZINC001107519774	905340300	/nfs/dbraw/zinc/34/03/00/905340300.db2.gz	RXLYRBLXJHFLMF-DYESRHJHSA-N	1	0	368.481	1.616	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2csc(-c3ncc[nH]3)n2)[C@H](OC)C1	ZINC001081963412	905447641	/nfs/dbraw/zinc/44/76/41/905447641.db2.gz	ZFOYPICYLSCKHM-TZMCWYRMSA-N	1	0	361.471	1.928	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCc4nc[nH]c43)CCC[C@@H]12	ZINC001107541542	905456567	/nfs/dbraw/zinc/45/65/67/905456567.db2.gz	CDFMDJMLZKBCGQ-HGHGUNKESA-N	1	0	370.497	1.840	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1	ZINC001082018712	905576924	/nfs/dbraw/zinc/57/69/24/905576924.db2.gz	PXFRIGBMXRRSNP-RTBURBONSA-N	1	0	370.497	1.748	20	30		FDEDRO
CCCn1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC#CCOC)CC3)cn1	ZINC001107560716	905631221	/nfs/dbraw/zinc/63/12/21/905631221.db2.gz	WJDOFTQYKOWJQX-UYAOXDASSA-N	1	0	358.486	1.917	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cncc(OC)n3)CCC[C@@H]12	ZINC001107567749	905679681	/nfs/dbraw/zinc/67/96/81/905679681.db2.gz	IOZQQPNTDZYPOO-VQIMIIECSA-N	1	0	358.442	1.109	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCO)CC2	ZINC001107569621	905689544	/nfs/dbraw/zinc/68/95/44/905689544.db2.gz	GZPGYPUCDWHWCS-ZHALLVOQSA-N	1	0	351.491	1.201	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC)CC2	ZINC001107573825	905719037	/nfs/dbraw/zinc/71/90/37/905719037.db2.gz	KRVXSZUDBPVEFX-WBQJQJEBSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCN(C)S3(=O)=O)CCC[C@@H]12	ZINC001107574118	905721497	/nfs/dbraw/zinc/72/14/97/905721497.db2.gz	OEHHLZYTEZMIRB-JFIYKMOQSA-N	1	0	369.531	1.347	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2C)nn1	ZINC001080580087	905735975	/nfs/dbraw/zinc/73/59/75/905735975.db2.gz	IHEZUBILVWCZJM-RHSMWYFYSA-N	1	0	350.426	1.586	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)C3CCCCC3)C[C@H]2C)nn1	ZINC001080580011	905736134	/nfs/dbraw/zinc/73/61/34/905736134.db2.gz	DKTHTBLXLAEWOW-QGPMSJSTSA-N	1	0	361.490	1.455	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)Cn3c(C)cc(C)nc3=O)CCC[C@@H]12	ZINC001107590459	905812583	/nfs/dbraw/zinc/81/25/83/905812583.db2.gz	DBXAZZNRJFHEKJ-YLJYHZDGSA-N	1	0	356.470	1.244	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)S(=O)(=O)CC)CCC[C@@H]12	ZINC001107595951	905851450	/nfs/dbraw/zinc/85/14/50/905851450.db2.gz	QYGPLGIXYDSZNL-SJLPKXTDSA-N	1	0	371.547	1.595	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)C3(C(=O)N(C)C)CC3)CCC[C@@H]12	ZINC001107604284	905944251	/nfs/dbraw/zinc/94/42/51/905944251.db2.gz	OVZNEWHMHWGNGE-RHSMWYFYSA-N	1	0	353.894	1.968	20	30		FDEDRO
N#CCn1cc(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)cn1	ZINC000764936612	906014531	/nfs/dbraw/zinc/01/45/31/906014531.db2.gz	KALVOVOVIRGPIF-UHFFFAOYSA-N	1	0	353.426	1.863	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)c3cccs3)CCC[C@@H]12	ZINC001107622433	906023171	/nfs/dbraw/zinc/02/31/71/906023171.db2.gz	HZGBYDBYMSPOJU-VQIMIIECSA-N	1	0	359.495	1.862	20	30		FDEDRO
Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)c(C)c1	ZINC001107623004	906027044	/nfs/dbraw/zinc/02/70/44/906027044.db2.gz	MKHDZWGEMNTGAB-WIYYLYMNSA-N	1	0	368.481	1.918	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)Cc3ccc(F)cc3)C[C@H]2O)C1	ZINC001077643322	906092957	/nfs/dbraw/zinc/09/29/57/906092957.db2.gz	CMWQLFABEINLQW-RCCFBDPRSA-N	1	0	362.445	1.247	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2CC[C@@]3(CNC(=O)CCNC(N)=O)CCC[C@@H]23)c1	ZINC001107627851	906095774	/nfs/dbraw/zinc/09/57/74/906095774.db2.gz	HJZCLFOZDFDPII-YLJYHZDGSA-N	1	0	369.469	1.477	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CS(=O)(=O)NC(C)(C)C)CCC[C@@H]12	ZINC001107637208	906141741	/nfs/dbraw/zinc/14/17/41/906141741.db2.gz	ZQMYYHSEXZLMKL-CRAIPNDOSA-N	1	0	369.531	1.088	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCCn3cccc3)CCC[C@@H]12	ZINC001107642729	906210131	/nfs/dbraw/zinc/21/01/31/906210131.db2.gz	YESWFWJEDFZBAN-YLJYHZDGSA-N	1	0	371.485	1.269	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1CCc2n[nH]nc2C1	ZINC001080774235	906226224	/nfs/dbraw/zinc/22/62/24/906226224.db2.gz	IIPANZZWWISNDX-VVFCZOMOSA-N	1	0	364.453	1.418	20	30		FDEDRO
C=CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(C)(C)C)CC2	ZINC001107650955	906227863	/nfs/dbraw/zinc/22/78/63/906227863.db2.gz	NRCBZMAPKTZWNP-JXXFODFXSA-N	1	0	365.518	1.853	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CCNC(=O)[C@@H]3CCCO3)CCC[C@@H]12	ZINC001107655170	906256720	/nfs/dbraw/zinc/25/67/20/906256720.db2.gz	RNIXMSQZPOWHBT-SQGPQFPESA-N	1	0	361.486	1.056	20	30		FDEDRO
C=CCCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnnn1CC)CC2	ZINC001107649119	906281836	/nfs/dbraw/zinc/28/18/36/906281836.db2.gz	HGOSZFMBVXHZBP-IEBWSBKVSA-N	1	0	361.490	1.752	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3c(C)cccc3C)C[C@H]2OC)nn1	ZINC001082213209	906298712	/nfs/dbraw/zinc/29/87/12/906298712.db2.gz	PUBXOTAPZFMDIQ-IEBWSBKVSA-N	1	0	369.469	1.710	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2NC(=O)c3ccccc32)[C@H](OC)C1	ZINC001082258487	906501681	/nfs/dbraw/zinc/50/16/81/906501681.db2.gz	RKEIGGQMCCMZEU-RCCFBDPRSA-N	1	0	357.454	1.643	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC	ZINC001082291686	906539682	/nfs/dbraw/zinc/53/96/82/906539682.db2.gz	GKWJKRSUKURARP-LNLFQRSKSA-N	1	0	365.518	1.807	20	30		FDEDRO
C#Cc1ccccc1CC(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001077677507	906622982	/nfs/dbraw/zinc/62/29/82/906622982.db2.gz	PVSVGNZIJZJACN-FRQCXROJSA-N	1	0	355.482	1.562	20	30		FDEDRO
CON=Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1	ZINC000765353824	906887873	/nfs/dbraw/zinc/88/78/73/906887873.db2.gz	SBCUUTBOUMLVMU-APWZRJJASA-N	1	0	358.486	1.765	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)c2C)C[C@H]1O	ZINC001077699200	906969706	/nfs/dbraw/zinc/96/97/06/906969706.db2.gz	XEQXGDFHJWANJO-TVFCKZIOSA-N	1	0	360.454	1.256	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](Cn2cccn2)N(C)C)C[C@H]1c1ccccc1	ZINC001081125588	907177576	/nfs/dbraw/zinc/17/75/76/907177576.db2.gz	HYQINMCVDYYIMT-XUVXKRRUSA-N	1	0	367.497	1.584	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnc(N(C)C)cn2)C[C@H]1c1ccccc1	ZINC001081117029	907221775	/nfs/dbraw/zinc/22/17/75/907221775.db2.gz	MTSWACVGSRTDBP-FUHWJXTLSA-N	1	0	351.454	1.926	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCCO3)C[C@H]1c1ccccc1	ZINC001081145582	907254479	/nfs/dbraw/zinc/25/44/79/907254479.db2.gz	MVCZEIBMSRZBHP-FUHWJXTLSA-N	1	0	350.422	1.497	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([NH2+]CCc2ccnn2C)CC1	ZINC000997085028	907259688	/nfs/dbraw/zinc/25/96/88/907259688.db2.gz	NYXGOGNZRFYMBI-OALUTQOASA-N	1	0	360.502	1.915	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+]C[C@@H]2CCNC(=O)CC2)CC1	ZINC000997086276	907262513	/nfs/dbraw/zinc/26/25/13/907262513.db2.gz	YNEMNRLADXPOHM-IEZWGBDMSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(N)=O)C1	ZINC001081125778	907306154	/nfs/dbraw/zinc/30/61/54/907306154.db2.gz	PZDVHINCIYDXHO-DLBZAZTESA-N	1	0	352.438	1.357	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cn2nnc3c2CCCC3)C[C@H]1c1ccccc1	ZINC001081179797	907351780	/nfs/dbraw/zinc/35/17/80/907351780.db2.gz	KTVMGDSMRBFGQY-PKOBYXMFSA-N	1	0	363.465	1.374	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cn2nnc3c2CCCC3)C[C@H]1c1ccccc1	ZINC001081179925	907353675	/nfs/dbraw/zinc/35/36/75/907353675.db2.gz	RREAZUWNPMHGPV-PKOBYXMFSA-N	1	0	365.481	1.927	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCS(=O)(=O)C2)C[C@H]1c1ccccc1	ZINC001081190453	907366731	/nfs/dbraw/zinc/36/67/31/907366731.db2.gz	CXBORCWNDUACRH-OKZBNKHCSA-N	1	0	362.495	1.581	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N[C@@H]2C[N@@H+](C[C@@H](C)OC)C[C@H]2OC)cc1	ZINC001082387272	907419372	/nfs/dbraw/zinc/41/93/72/907419372.db2.gz	VSVMOXYAYGYZHM-ATZDWAIDSA-N	1	0	362.470	1.644	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2COCCN2C(C)=O)C[C@H]1c1ccccc1	ZINC001081229992	907429079	/nfs/dbraw/zinc/42/90/79/907429079.db2.gz	KJYHINXHABQETR-IPMKNSEASA-N	1	0	357.454	1.004	20	30		FDEDRO
C#CCNCc1ccncc1O[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001127888622	907494145	/nfs/dbraw/zinc/49/41/45/907494145.db2.gz	UAWDINKUWCKLDS-GBESFXJTSA-N	1	0	370.497	1.514	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2c(Br)cnn2C)C1	ZINC001082451183	907730460	/nfs/dbraw/zinc/73/04/60/907730460.db2.gz	SAAKNHWTJLWZOF-HOSYDEDBSA-N	1	0	354.252	1.279	20	30		FDEDRO
CNC(=O)c1ccc(C[NH2+][C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)cc1	ZINC001082483637	907906564	/nfs/dbraw/zinc/90/65/64/907906564.db2.gz	WHINWJZVNLHDFI-FZKQIMNGSA-N	1	0	365.437	1.496	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1C	ZINC001082472700	907923324	/nfs/dbraw/zinc/92/33/24/907923324.db2.gz	YNUZQEOVILYICG-FRFSOERESA-N	1	0	370.453	1.030	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C)C(=O)N1CCCCCC1	ZINC001082480354	907949063	/nfs/dbraw/zinc/94/90/63/907949063.db2.gz	BXFHCKIAAANAEX-RVKKMQEKSA-N	1	0	371.485	1.728	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)C2=CCOCC2)C[C@H]1C	ZINC001082486516	907979078	/nfs/dbraw/zinc/97/90/78/907979078.db2.gz	OKEVIXJLFXNJMM-RDTXWAMCSA-N	1	0	355.438	1.850	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082490194	907996479	/nfs/dbraw/zinc/99/64/79/907996479.db2.gz	IHZJJGYSUOZNPZ-IAQYHMDHSA-N	1	0	358.373	1.239	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)C3(c4ccccn4)CC3)C[C@H]2C)C1=O	ZINC001082510997	908037491	/nfs/dbraw/zinc/03/74/91/908037491.db2.gz	RZLDZXHVEZTCHY-IXDOHACOSA-N	1	0	368.481	1.337	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+][C@@H]1CCCN(CC(C)(C)C)C1=O	ZINC001082504529	908115885	/nfs/dbraw/zinc/11/58/85/908115885.db2.gz	DATVKDYCLOJEMO-KBAYOESNSA-N	1	0	359.514	1.873	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2ccnn2C)C[C@H]1C	ZINC001082518211	908200386	/nfs/dbraw/zinc/20/03/86/908200386.db2.gz	FKPIWGPKNBKUDR-KGYLQXTDSA-N	1	0	355.280	1.869	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C)C2CC2)CC1	ZINC000997357850	908325955	/nfs/dbraw/zinc/32/59/55/908325955.db2.gz	QVVCGCACSSCAIO-OAOYMFHYSA-N	1	0	357.498	1.626	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O)C1CC[NH+](C)CC1	ZINC000921568702	908432429	/nfs/dbraw/zinc/43/24/29/908432429.db2.gz	PTQAVFUWKXLYME-CQSZACIVSA-N	1	0	374.407	1.279	20	30		FDEDRO
CCn1nnc(C)c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001082555222	908552960	/nfs/dbraw/zinc/55/29/60/908552960.db2.gz	XPIXBGKGYLKIFN-CXAGYDPISA-N	1	0	352.442	1.728	20	30		FDEDRO
C#CCN(C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C)C1CC[NH+](C)CC1	ZINC000921597193	908553658	/nfs/dbraw/zinc/55/36/58/908553658.db2.gz	QPILNZAKFVMCER-OAHLLOKOSA-N	1	0	366.506	1.886	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnc3n[nH]nc3c2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082563278	908653132	/nfs/dbraw/zinc/65/31/32/908653132.db2.gz	ROLOMVNALGRONB-MEBBXXQBSA-N	1	0	367.438	1.536	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn3ncccc23)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082564329	908664282	/nfs/dbraw/zinc/66/42/82/908664282.db2.gz	LPXRYBZGGFUNEV-RDTXWAMCSA-N	1	0	360.421	1.851	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)cc2F)C1	ZINC001082567837	908705167	/nfs/dbraw/zinc/70/51/67/908705167.db2.gz	FPTLSIXYEQXHJY-ZMYBRWDISA-N	1	0	361.436	1.999	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082569940	908721340	/nfs/dbraw/zinc/72/13/40/908721340.db2.gz	NRSXVZMWRYJMLZ-OBQMCUGOSA-N	1	0	361.417	1.438	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cnc4[nH]ccc4c3)C[C@H]2C)C1=O	ZINC001082577831	908753409	/nfs/dbraw/zinc/75/34/09/908753409.db2.gz	UTBOPXOLAWELCB-KBRIMQKVSA-N	1	0	367.453	1.352	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1	ZINC001082578987	908767775	/nfs/dbraw/zinc/76/77/75/908767775.db2.gz	BZAOQBFPYUXMJG-MEBBXXQBSA-N	1	0	357.389	1.685	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082590426	908847315	/nfs/dbraw/zinc/84/73/15/908847315.db2.gz	WCZDKFVQXQCIPN-OHDICMOHSA-N	1	0	356.470	1.214	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC2)C1	ZINC001082600102	908962207	/nfs/dbraw/zinc/96/22/07/908962207.db2.gz	AQUSPAGWLILELD-NVXWUHKLSA-N	1	0	357.454	1.534	20	30		FDEDRO
COCc1nn(C)cc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001082601894	908971583	/nfs/dbraw/zinc/97/15/83/908971583.db2.gz	CTHUGLBIVOCXED-RDTXWAMCSA-N	1	0	367.453	1.688	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc(C)cc(C)n3)C[C@H]2C)C1=O	ZINC001082610628	909001169	/nfs/dbraw/zinc/00/11/69/909001169.db2.gz	SNIJYMDFWHSIPY-QGPMSJSTSA-N	1	0	356.470	1.535	20	30		FDEDRO
C[C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082614865	909051121	/nfs/dbraw/zinc/05/11/21/909051121.db2.gz	PGDOONIAPONEEU-CRAIPNDOSA-N	1	0	354.454	1.507	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1OC)OCC	ZINC001212355010	909072812	/nfs/dbraw/zinc/07/28/12/909072812.db2.gz	QCZWCLNLLYFLFO-FGTMMUONSA-N	1	0	364.490	1.149	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccnc(C4CC4)c3)C[C@H]2C)C1=O	ZINC001082621374	909129941	/nfs/dbraw/zinc/12/99/41/909129941.db2.gz	LUOUWLKIGMPFHE-LSBZLQRGSA-N	1	0	368.481	1.796	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)CN(C)C(=O)C2CC2)[C@H](OC)C1	ZINC001212363716	909177105	/nfs/dbraw/zinc/17/71/05/909177105.db2.gz	HYOLVTFVTFTOQF-IAGOWNOFSA-N	1	0	353.507	1.641	20	30		FDEDRO
COc1cnc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)nc1	ZINC001082633314	909195006	/nfs/dbraw/zinc/19/50/06/909195006.db2.gz	FDCVZSTYPGOFTK-SJKOYZFVSA-N	1	0	369.400	1.746	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082662758	909394659	/nfs/dbraw/zinc/39/46/59/909394659.db2.gz	YMZVDJGICFIHTQ-MLGOLLRUSA-N	1	0	352.394	1.500	20	30		FDEDRO
CO[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C#N)C1)c1cnn(C)c1	ZINC001082667052	909466495	/nfs/dbraw/zinc/46/64/95/909466495.db2.gz	XQTGMYHGZLQJGC-ZMYBRWDISA-N	1	0	367.453	1.616	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3c[nH]nc3C)C[C@H]2C)cc1C#N	ZINC001082675386	909532175	/nfs/dbraw/zinc/53/21/75/909532175.db2.gz	XZXSEIGDGDOCFC-SJKOYZFVSA-N	1	0	353.426	1.849	20	30		FDEDRO
Cc1n[nH]c(=O)c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)c1C	ZINC001082677689	909553464	/nfs/dbraw/zinc/55/34/64/909553464.db2.gz	BVJJVWMMMGSIBL-SJKOYZFVSA-N	1	0	365.437	1.921	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3C)C[C@H]2C)cc1C#N	ZINC001082688958	909578926	/nfs/dbraw/zinc/57/89/26/909578926.db2.gz	UKDZIOUYBDVXCL-XYPHTWIQSA-N	1	0	370.453	1.124	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[NH2+][C@H]2CCN(CC)C2=O)CC1	ZINC000997782490	909689621	/nfs/dbraw/zinc/68/96/21/909689621.db2.gz	UYJRJJODIAQMJG-SQNIBIBYSA-N	1	0	363.502	1.417	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CCC(C[NH2+]Cc3ccccc3C#N)CC2)O1	ZINC000997861611	909837257	/nfs/dbraw/zinc/83/72/57/909837257.db2.gz	YJHAUCJNXLGCTJ-OXQOHEQNSA-N	1	0	370.497	1.606	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082724716	909840354	/nfs/dbraw/zinc/84/03/54/909840354.db2.gz	DDNCAFKFIFCTLZ-MLGOLLRUSA-N	1	0	357.389	1.701	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H]3CCN(c4ccn(C)n4)C3=O)C2)C1	ZINC001082729527	909859601	/nfs/dbraw/zinc/85/96/01/909859601.db2.gz	HSWFVUICRCRPMG-BZUAXINKSA-N	1	0	371.485	1.318	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082745051	909968748	/nfs/dbraw/zinc/96/87/48/909968748.db2.gz	YNKSYRPPSGDGHU-GMLZMKKNSA-N	1	0	372.444	1.358	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)Cn2ccc(C(F)F)n2)[C@H](OC)C1	ZINC001212381896	909972089	/nfs/dbraw/zinc/97/20/89/909972089.db2.gz	OIBCIMORTWKWMH-NWANDNLSSA-N	1	0	356.417	1.991	20	30		FDEDRO
C[NH+]=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ccccn2)CC1	ZINC000073479102	910001203	/nfs/dbraw/zinc/00/12/03/910001203.db2.gz	DDOVWJUHNJDAMI-UHFFFAOYSA-N	1	0	353.426	1.708	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cnn(CCC)c3)C[C@H]2C)C1=O	ZINC001082773211	910095761	/nfs/dbraw/zinc/09/57/61/910095761.db2.gz	APCBHBROLIRDRM-HYVNUMGLSA-N	1	0	359.474	1.130	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc4nonc4c3)C2)nn1	ZINC001082791416	910193263	/nfs/dbraw/zinc/19/32/63/910193263.db2.gz	POCMDTUANBNYJC-MLGOLLRUSA-N	1	0	367.413	1.251	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2nc3ncccn3n2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082816019	910289844	/nfs/dbraw/zinc/28/98/44/910289844.db2.gz	VDMKMEKDAVETAY-CZUORRHYSA-N	1	0	361.409	1.246	20	30		FDEDRO
CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3F)C2)nn1	ZINC001082828415	910345516	/nfs/dbraw/zinc/34/55/16/910345516.db2.gz	HJYHBSGQWCOWRW-CXAGYDPISA-N	1	0	370.432	1.949	20	30		FDEDRO
C=C(C)CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1	ZINC000998114358	910377515	/nfs/dbraw/zinc/37/75/15/910377515.db2.gz	GCBFMHWFISSXQT-IXDOHACOSA-N	1	0	351.491	1.689	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C)n(C)n2)C1	ZINC001082869000	910509681	/nfs/dbraw/zinc/50/96/81/910509681.db2.gz	JDMSBNZLRJNYKM-RDTXWAMCSA-N	1	0	367.453	1.386	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@@H]2CCCO2)C1	ZINC001082869008	910510007	/nfs/dbraw/zinc/51/00/07/910510007.db2.gz	JRGOXLQWAZVDPK-SOLBZPMBSA-N	1	0	357.454	1.713	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ocnc2C)C1	ZINC001082869006	910510011	/nfs/dbraw/zinc/51/00/11/910510011.db2.gz	JQJLQEWCVNERTD-CZUORRHYSA-N	1	0	354.410	1.640	20	30		FDEDRO
CC(=O)N1CC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1	ZINC001082887721	910686055	/nfs/dbraw/zinc/68/60/55/910686055.db2.gz	HZMPNBPFNRFVOO-NIKGAXFTSA-N	1	0	354.454	1.363	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cn4ccccc4n3)C[C@H]2C)C1=O	ZINC001082899505	910765676	/nfs/dbraw/zinc/76/56/76/910765676.db2.gz	UFQGCLAAXXNTST-BZUAXINKSA-N	1	0	367.453	1.171	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082903552	910792125	/nfs/dbraw/zinc/79/21/25/910792125.db2.gz	NYFACAFAUZGKFW-SJKOYZFVSA-N	1	0	369.400	1.041	20	30		FDEDRO
CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1)N1CCCC1=O	ZINC001082929958	910946937	/nfs/dbraw/zinc/94/69/37/910946937.db2.gz	BKAZQEDWNNVYBH-ATZDWAIDSA-N	1	0	368.481	1.896	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCc3nncn3C2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082939174	910998970	/nfs/dbraw/zinc/99/89/70/910998970.db2.gz	DXOJFHRJHXNCBQ-ZTFGCOKTSA-N	1	0	364.453	1.349	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)nc2)C[C@H]1C	ZINC001082958224	911144557	/nfs/dbraw/zinc/14/45/57/911144557.db2.gz	MSXDODJVRSUHHW-NOZJJQNGSA-N	1	0	367.247	1.139	20	30		FDEDRO
N#Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CCC[NH+]2CCC4)C3)c[nH]1	ZINC000998562128	911231129	/nfs/dbraw/zinc/23/11/29/911231129.db2.gz	JLSPGWDIINWDHK-IKGGRYGDSA-N	1	0	367.453	1.376	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccc(CC)cc2)C[C@H]1O	ZINC001077822983	911259294	/nfs/dbraw/zinc/25/92/94/911259294.db2.gz	NSOMJPJKMKVAHA-BQJUDKOJSA-N	1	0	372.509	1.934	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cn2cccn2)cc1C#N	ZINC001085133540	921651075	/nfs/dbraw/zinc/65/10/75/921651075.db2.gz	COMWQRGMPAOVKW-QZTJIDSGSA-N	1	0	367.453	1.981	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2COCCO2)c1	ZINC001085139131	921685469	/nfs/dbraw/zinc/68/54/69/921685469.db2.gz	BFOAGODFMJJAMK-KZNAEPCWSA-N	1	0	361.417	1.630	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CCO[C@@H]3CN(Cc4cccc(F)c4)C[C@@H]32)c1	ZINC001083039223	911755444	/nfs/dbraw/zinc/75/54/44/911755444.db2.gz	AGBXPIOWWYTBGJ-ZWKOTPCHSA-N	1	0	354.385	1.751	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2([NH+](C)C)CCC2)nc1	ZINC000998953711	911922556	/nfs/dbraw/zinc/92/25/56/911922556.db2.gz	HEBPJLCNELUYMA-NJAFHUGGSA-N	1	0	366.465	1.409	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnc(OC(C)C)cn3)[C@H]2C1	ZINC001083080882	911943379	/nfs/dbraw/zinc/94/33/79/911943379.db2.gz	JTSKOSGONCZVMY-DLBZAZTESA-N	1	0	360.458	1.755	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC[N@@H+](C)C2)cc1	ZINC000999077932	912029352	/nfs/dbraw/zinc/02/93/52/912029352.db2.gz	JAJSNKKLUJYMJD-YRXWBPOGSA-N	1	0	351.450	1.481	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc([C@@H]4CCOC4)c3)[C@H]2C1	ZINC001083126110	912095507	/nfs/dbraw/zinc/09/55/07/912095507.db2.gz	XTTNFKALWJTMDJ-HSALFYBXSA-N	1	0	354.450	1.739	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3ccc4n[nH]cc4c3)[C@H]2C1	ZINC001083141325	912156305	/nfs/dbraw/zinc/15/63/05/912156305.db2.gz	ANXZYEDCEAMZAE-RBUKOAKNSA-N	1	0	354.454	1.983	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(=O)n(CCOC)c3)[C@@H]2C1	ZINC001084481886	914917184	/nfs/dbraw/zinc/91/71/84/914917184.db2.gz	YKAFTRCYAKWLIK-SJLPKXTDSA-N	1	0	359.470	1.607	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@@H]4CCCC(=O)N4)[C@@H]3C2)c1	ZINC001084503825	915052760	/nfs/dbraw/zinc/05/27/60/915052760.db2.gz	UJIIZVXOAPIBLE-CEXWTWQISA-N	1	0	366.465	1.650	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCNC(=O)CC4)[C@@H]3C2)cc1	ZINC001084548647	915319199	/nfs/dbraw/zinc/31/91/99/915319199.db2.gz	VVPSGXXHSWVOFO-GUDVDZBRSA-N	1	0	366.465	1.507	20	30		FDEDRO
C[C@@]1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)CCC(=O)N1	ZINC001084635813	915781774	/nfs/dbraw/zinc/78/17/74/915781774.db2.gz	NVSLDACPMFHRJR-HLIPFELVSA-N	1	0	352.438	1.260	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCCCC(=O)N4)[C@@H]3C2)cc1	ZINC001084654448	915897756	/nfs/dbraw/zinc/89/77/56/915897756.db2.gz	SNQLTLUEMIHJMC-GUDVDZBRSA-N	1	0	366.465	1.650	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1	ZINC000730096637	916116627	/nfs/dbraw/zinc/11/66/27/916116627.db2.gz	QAKWCAHCHYFATQ-FQEVSTJZSA-N	1	0	355.482	1.827	20	30		FDEDRO
C=CCN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1	ZINC000730139516	916182473	/nfs/dbraw/zinc/18/24/73/916182473.db2.gz	BZCNPQKTPNMWAZ-OAHLLOKOSA-N	1	0	360.483	1.872	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@H]3CC[N@H+](C[C@H]4CCCCO4)C[C@H]32)nn1	ZINC001084713252	916451066	/nfs/dbraw/zinc/45/10/66/916451066.db2.gz	RIYQZHYCVDMZPT-JFIYKMOQSA-N	1	0	359.474	1.570	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](CCn4nc(C)cc4C)C[C@H]32)cn1	ZINC001084784298	917091906	/nfs/dbraw/zinc/09/19/06/917091906.db2.gz	JIPNXUIJCIUHFW-UYAOXDASSA-N	1	0	363.465	1.723	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4cc(C)no4)C[C@H]32)CC1	ZINC001084851027	917658791	/nfs/dbraw/zinc/65/87/91/917658791.db2.gz	JRWBRRRDYDVSDW-IEBWSBKVSA-N	1	0	356.470	1.361	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4cn(C)nc4C)C[C@H]32)CC1	ZINC001084851220	917660345	/nfs/dbraw/zinc/66/03/45/917660345.db2.gz	SGUNHPSOGJGDBU-UYAOXDASSA-N	1	0	369.513	1.106	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1	ZINC000731129716	917775373	/nfs/dbraw/zinc/77/53/73/917775373.db2.gz	BFGAFYNJYZFCOQ-KRWDZBQOSA-N	1	0	355.438	1.724	20	30		FDEDRO
Cn1cc(CCC(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)nn1	ZINC001084870251	917840723	/nfs/dbraw/zinc/84/07/23/917840723.db2.gz	BSURDBMDHPWIDZ-IEBWSBKVSA-N	1	0	364.453	1.352	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H]2CC[N@H+](CCc3nnn(C(C)(C)C)n3)[C@H]2C1	ZINC001084906669	918172257	/nfs/dbraw/zinc/17/22/57/918172257.db2.gz	CCVRTNOBNZSUBZ-ZNMIVQPWSA-N	1	0	359.478	1.053	20	30		FDEDRO
CNC(=O)c1cccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H](C)C#N)C[C@@H]32)c1	ZINC001084906977	918173660	/nfs/dbraw/zinc/17/36/60/918173660.db2.gz	OWOXJUBXXPZMSA-LESCRADOSA-N	1	0	354.454	1.629	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cc[nH]c(=O)c4)C[C@@H]32)C1=O	ZINC001084919348	918313383	/nfs/dbraw/zinc/31/33/83/918313383.db2.gz	GDMYWOHNKOSTDK-XIRDDKMYSA-N	1	0	370.453	1.111	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cn([C@H](C)COC)nc3C)C[C@@H]21	ZINC001084940321	918562709	/nfs/dbraw/zinc/56/27/09/918562709.db2.gz	VFQQNSKZNYXIKF-SUMDDJOVSA-N	1	0	358.486	1.959	20	30		FDEDRO
N#Cc1cc(S(N)(=O)=O)ccc1N[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000731901706	918769763	/nfs/dbraw/zinc/76/97/63/918769763.db2.gz	JCNOWVPBUGSFDC-INIZCTEOSA-N	1	0	356.451	1.892	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)C[C@@H]4CCNC4=O)C[C@@H]32)c1	ZINC001084956237	918796954	/nfs/dbraw/zinc/79/69/54/918796954.db2.gz	BQNPBBOVNMMYKQ-QYZOEREBSA-N	1	0	366.465	1.507	20	30		FDEDRO
CC(=O)Nc1ccc(O)c(C(C)=NNC(=S)NCCC[NH+](C)C)c1	ZINC000731928264	918844870	/nfs/dbraw/zinc/84/48/70/918844870.db2.gz	HILIKVFQBBEFPN-UHFFFAOYSA-N	1	0	351.476	1.490	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2CC[N@H+](CCN3CCCC3=O)[C@H]2C1	ZINC001084958959	918856977	/nfs/dbraw/zinc/85/69/77/918856977.db2.gz	HZFYWQYVACIUKN-MJGOQNOKSA-N	1	0	370.497	1.833	20	30		FDEDRO
CC(=NNC(=S)NCCC[NH+](C)C)c1cccc(N2CCOC2=O)c1	ZINC000731930951	918857568	/nfs/dbraw/zinc/85/75/68/918857568.db2.gz	UCXJSMNGDVTPLY-UHFFFAOYSA-N	1	0	363.487	1.783	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3c3ncccn3)C[C@@H]21	ZINC001084962119	918872340	/nfs/dbraw/zinc/87/23/40/918872340.db2.gz	SUQTWZTUSZTJHQ-KURKYZTESA-N	1	0	355.486	1.944	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC4(C3)CS(=O)(=O)C4)C[C@@H]21	ZINC001084971225	918965944	/nfs/dbraw/zinc/96/59/44/918965944.db2.gz	UEXHNSKZXAWRAW-ZBFHGGJFSA-N	1	0	352.500	1.310	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C[C@@H]21	ZINC001084971520	918970846	/nfs/dbraw/zinc/97/08/46/918970846.db2.gz	KPWGBRRWIVIKBY-BARDWOONSA-N	1	0	360.376	1.279	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccnc(N4CCCC4)n3)C[C@@H]21	ZINC001084975405	919000768	/nfs/dbraw/zinc/00/07/68/919000768.db2.gz	CORSQYHSHWQXIM-AEFFLSMTSA-N	1	0	353.470	1.637	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c(c3)N(C)C(=O)C4)C[C@@H]21	ZINC001084982065	919117257	/nfs/dbraw/zinc/11/72/57/919117257.db2.gz	BFVVQMDKMGWQMY-BEFAXECRSA-N	1	0	351.450	1.765	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3COCCN3CC3CCC3)C[C@@H]21	ZINC001084998220	919384869	/nfs/dbraw/zinc/38/48/69/919384869.db2.gz	ANVYEKPIDCMOPH-HSALFYBXSA-N	1	0	359.514	1.433	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4[C@@H]5COC[C@@H]54)C[C@@H]32)cc1	ZINC001085012521	919597679	/nfs/dbraw/zinc/59/76/79/919597679.db2.gz	WICVAQKQETWNNB-SLHNCBLASA-N	1	0	351.450	1.873	20	30		FDEDRO
C[NH+](C)Cc1cccc(CNC(=O)NCCNC(=O)C2N=CC=CC2=O)c1	ZINC000732445921	919619283	/nfs/dbraw/zinc/61/92/83/919619283.db2.gz	VEQDIFXDKQNODX-ISLYRVAYSA-N	1	0	371.441	1.074	20	30		FDEDRO
C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000732810669	920158699	/nfs/dbraw/zinc/15/86/99/920158699.db2.gz	NXRVWCQIAPMCMP-DZGCQCFKSA-N	1	0	371.359	1.393	20	30		FDEDRO
C[NH+]1CCN(c2cccc(Cl)c2C=NNCCS(C)(=O)=O)CC1	ZINC000733204030	920742882	/nfs/dbraw/zinc/74/28/82/920742882.db2.gz	HVMCDQLHAFHBRO-UHFFFAOYSA-N	1	0	358.895	1.060	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C[C@@H]21	ZINC001085090943	920775148	/nfs/dbraw/zinc/77/51/48/920775148.db2.gz	RSPXWJCXVRVHKE-AOIWGVFYSA-N	1	0	357.498	1.724	20	30		FDEDRO
C=C(Br)CN1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21	ZINC001085093473	920821642	/nfs/dbraw/zinc/82/16/42/920821642.db2.gz	BECJGGWFSMWZDR-CABCVRRESA-N	1	0	356.308	1.914	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cccn4CC)C[C@@H]32)C1=O	ZINC001085094279	920854265	/nfs/dbraw/zinc/85/42/65/920854265.db2.gz	NELDWBWJERFLEG-WDSOQIARSA-N	1	0	370.497	1.831	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cn(C)nc2C)C1=O	ZINC001085153054	921829715	/nfs/dbraw/zinc/82/97/15/921829715.db2.gz	BBLQDDMQUSPMTN-ZACQAIPSSA-N	1	0	359.474	1.146	20	30		FDEDRO
CN1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)C1	ZINC001085158887	921876934	/nfs/dbraw/zinc/87/69/34/921876934.db2.gz	ADRZFMQNFZKEFR-GUDVDZBRSA-N	1	0	356.470	1.406	20	30		FDEDRO
CC1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C#N)c[nH]2)CC1	ZINC001085164270	921912907	/nfs/dbraw/zinc/91/29/07/921912907.db2.gz	YQNIAZBCUOFFMU-IAGOWNOFSA-N	1	0	371.485	1.775	20	30		FDEDRO
C=CCCC1(C(=O)N2CCO[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1	ZINC001065581628	922363980	/nfs/dbraw/zinc/36/39/80/922363980.db2.gz	KJFQIULQJMGTPW-BRWVUGGUSA-N	1	0	363.502	1.417	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3c2ccncc2C#N)CC[N@@H+]1C	ZINC001066201753	922620525	/nfs/dbraw/zinc/62/05/25/922620525.db2.gz	GNQLHVMRVVEMBX-JZGRTCEGSA-N	1	0	353.470	1.863	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3c2nccnc2C#N)CC[N@@H+]1C	ZINC001066203813	922628328	/nfs/dbraw/zinc/62/83/28/922628328.db2.gz	XAUCHHCJMMYFAQ-RANZSIQMSA-N	1	0	368.485	1.648	20	30		FDEDRO
CN1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)CC1=O	ZINC001085217253	922859613	/nfs/dbraw/zinc/85/96/13/922859613.db2.gz	UFOXDIFOBAHULM-KZNAEPCWSA-N	1	0	354.454	1.554	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCC(=O)NC1	ZINC001085222724	922927690	/nfs/dbraw/zinc/92/76/90/922927690.db2.gz	HHIWRUPTAOOGOX-KFKAGJAMSA-N	1	0	368.481	1.992	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cn1	ZINC001085229741	922983382	/nfs/dbraw/zinc/98/33/82/922983382.db2.gz	IFMCGHZZNFOAAZ-QRVBRYPASA-N	1	0	358.461	1.835	20	30		FDEDRO
C[C@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)CCNC(=O)C1	ZINC001085243044	923124332	/nfs/dbraw/zinc/12/43/32/923124332.db2.gz	RPRHOXZAEWJVFP-OPYAIIAOSA-N	1	0	368.481	1.992	20	30		FDEDRO
CCOCCC[N@@H+]1CCC(N=Nc2ccc(S(N)(=O)=O)cn2)[C@H](C)C1	ZINC000735227724	924135756	/nfs/dbraw/zinc/13/57/56/924135756.db2.gz	YOWSBGWMGFNQED-CYBMUJFWSA-N	1	0	369.491	1.265	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(C)no2)nn1	ZINC001085358698	924171594	/nfs/dbraw/zinc/17/15/94/924171594.db2.gz	NQBHEJFTLUDRLV-HZPDHXFCSA-N	1	0	358.446	1.981	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cn(C)nc2C)nn1	ZINC001085357438	924187018	/nfs/dbraw/zinc/18/70/18/924187018.db2.gz	VVTLMYUFRYLYLW-HZPDHXFCSA-N	1	0	357.462	1.337	20	30		FDEDRO
C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1	ZINC000826776961	924324989	/nfs/dbraw/zinc/32/49/89/924324989.db2.gz	CQCWJMKFEYOYMN-KSSFIOAISA-N	1	0	362.861	1.315	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC1	ZINC001066247852	924351432	/nfs/dbraw/zinc/35/14/32/924351432.db2.gz	QKFHAYXPUBMCJM-BBWFWOEESA-N	1	0	351.491	1.415	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1ccccc1=O	ZINC001085418687	924576379	/nfs/dbraw/zinc/57/63/79/924576379.db2.gz	NXDMPLLOMANKMJ-RTBURBONSA-N	1	0	364.449	1.937	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(C(N)=O)c2)s1	ZINC001085424853	924619306	/nfs/dbraw/zinc/61/93/06/924619306.db2.gz	LNSFTPKTAWWIOH-HUUCEWRRSA-N	1	0	371.466	1.878	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(C(N)=O)c2)c1	ZINC001085425067	924620239	/nfs/dbraw/zinc/62/02/39/924620239.db2.gz	XPWFVEBFBAVGHG-IAGOWNOFSA-N	1	0	365.437	1.816	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2ccc(C(=O)N(C)C)cc2)CC1	ZINC000735939495	924685137	/nfs/dbraw/zinc/68/51/37/924685137.db2.gz	GMPQUNZOSGDKSV-UHFFFAOYSA-N	1	0	371.437	1.215	20	30		FDEDRO
C[NH+](C)C[C@@H]1CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1	ZINC000738226625	925139726	/nfs/dbraw/zinc/13/97/26/925139726.db2.gz	YEZDSMFXPRQWKY-HNAYVOBHSA-N	1	0	355.442	1.166	20	30		FDEDRO
CCCCCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1	ZINC001108216521	925350154	/nfs/dbraw/zinc/35/01/54/925350154.db2.gz	DTAFKYKGMXKBGE-QKLQHJQFSA-N	1	0	367.534	1.888	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)CC1	ZINC000740748744	925435189	/nfs/dbraw/zinc/43/51/89/925435189.db2.gz	WYFYDWXVNWYMTM-INIZCTEOSA-N	1	0	365.543	1.928	20	30		FDEDRO
CN(CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCC[N@H+](C)C1	ZINC000741248729	925654761	/nfs/dbraw/zinc/65/47/61/925654761.db2.gz	BXEJBEXXYRGMJP-GDBMZVCRSA-N	1	0	367.453	1.785	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000741318226	925705213	/nfs/dbraw/zinc/70/52/13/925705213.db2.gz	MFBKXFZSUVSSBY-RDJZCZTQSA-N	1	0	373.453	1.842	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cn(CC3CC3)nn2)C1	ZINC001086201961	926286342	/nfs/dbraw/zinc/28/63/42/926286342.db2.gz	AQUNDUCOLFVUPZ-ATLSCFEFSA-N	1	0	359.474	1.264	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C3)cn1	ZINC001006291062	926361352	/nfs/dbraw/zinc/36/13/52/926361352.db2.gz	ZCNKEJHJJHXDRH-AXUOBQJMSA-N	1	0	366.465	1.266	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H](NC(=O)CCC[NH+](C)C)CC1	ZINC001066459304	926419123	/nfs/dbraw/zinc/41/91/23/926419123.db2.gz	XTCWNIHGXBWBKD-KSZLIROESA-N	1	0	365.518	1.807	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)COC(=O)c2ccccc2OCC#N)CC1	ZINC000744853551	926912426	/nfs/dbraw/zinc/91/24/26/926912426.db2.gz	DAHIYOYARZAEQG-UHFFFAOYSA-N	1	0	359.426	1.735	20	30		FDEDRO
C#CCN(CC#CC)C(=O)NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C	ZINC000745290361	927162660	/nfs/dbraw/zinc/16/26/60/927162660.db2.gz	XRRHCPITRUOLQH-KRWDZBQOSA-N	1	0	357.454	1.975	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1	ZINC000745823311	927441210	/nfs/dbraw/zinc/44/12/10/927441210.db2.gz	VYCZBOSLHRIMDY-SFHVURJKSA-N	1	0	359.470	1.951	20	30		FDEDRO
C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+](CC(C)C)C2CCCC2)c1=O	ZINC000746056122	927580588	/nfs/dbraw/zinc/58/05/88/927580588.db2.gz	UPHHGNGFIWIGLN-UHFFFAOYSA-N	1	0	362.474	1.402	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)CCNC(=O)C2N=CC=CC2=O)C1	ZINC000746180308	927651374	/nfs/dbraw/zinc/65/13/74/927651374.db2.gz	DXAHNBMNAMAJBL-XUKPUBBXSA-N	1	0	374.485	1.767	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCc2cnn(C)c2)C1	ZINC001086500581	927663324	/nfs/dbraw/zinc/66/33/24/927663324.db2.gz	IPXQUCHMERJHHN-VJANTYMQSA-N	1	0	360.502	1.818	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cn(C(C)C)nn2)C1	ZINC001086503795	927711232	/nfs/dbraw/zinc/71/12/32/927711232.db2.gz	NTRTWANVIKMLMP-LAQRGFTBSA-N	1	0	361.490	1.825	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCn2nc(C)nc2C)C1	ZINC001086504019	927711402	/nfs/dbraw/zinc/71/14/02/927711402.db2.gz	ZQOUPPXILUTXLD-XSLAGTTESA-N	1	0	361.490	1.361	20	30		FDEDRO
N#CCn1cc(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cn1	ZINC000746344688	927886646	/nfs/dbraw/zinc/88/66/46/927886646.db2.gz	QJAGZXUAXPRYQQ-CQSZACIVSA-N	1	0	372.454	1.360	20	30		FDEDRO
CCOC(=O)C(C)N=Nc1cc(-n2cc(CC[NH3+])cn2)ccc1[N+](=O)[O-]	ZINC001168953783	928199966	/nfs/dbraw/zinc/19/99/66/928199966.db2.gz	DCGXTCXPKLNJNU-ODLFYWEKSA-N	1	0	360.374	1.633	20	30		FDEDRO
C=CCN1CCN(C)C2(CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)C1=O	ZINC001169023572	928248327	/nfs/dbraw/zinc/24/83/27/928248327.db2.gz	PBTWTOHEGUQBRJ-HZPDHXFCSA-N	1	0	350.463	1.226	20	30		FDEDRO
CC[C@@H](CC#N)[NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC001169181661	928341825	/nfs/dbraw/zinc/34/18/25/928341825.db2.gz	SMDSUWLGHWCHFN-KBPBESRZSA-N	1	0	360.462	1.274	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cn1cc2c(c(C#N)c1=O)CCC2	ZINC000766630862	928362315	/nfs/dbraw/zinc/36/23/15/928362315.db2.gz	BEWRVUYRYDWOLY-AYOQOUSVSA-N	1	0	356.470	1.350	20	30		FDEDRO
C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@H]1CC[C@H](C(=O)OCC)OC1)C2	ZINC001169320815	928419344	/nfs/dbraw/zinc/41/93/44/928419344.db2.gz	JAYISSMTRRHGGM-SOLBZPMBSA-N	1	0	360.454	1.592	20	30		FDEDRO
C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@@H]1CC[C@@H](C(=O)OCC)OC1)C2	ZINC001169320813	928419769	/nfs/dbraw/zinc/41/97/69/928419769.db2.gz	JAYISSMTRRHGGM-NUJGCVRESA-N	1	0	360.454	1.592	20	30		FDEDRO
CCOC(=O)c1cnc(NC2(C(=O)OCC)CC[NH+](C)CC2)c(C#N)c1	ZINC001169492219	928707547	/nfs/dbraw/zinc/70/75/47/928707547.db2.gz	RQUPZRYDMJKMCL-UHFFFAOYSA-N	1	0	360.414	1.569	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCCCC)C2)C1	ZINC001108544376	928904851	/nfs/dbraw/zinc/90/48/51/928904851.db2.gz	BQGITQRBXFCAHA-NXHRZFHOSA-N	1	0	363.502	1.559	20	30		FDEDRO
COC(=O)[C@H](C[NH3+])Cc1ccc(Nc2c(C#N)cnn2C(=O)OC)cc1	ZINC001169968791	928969954	/nfs/dbraw/zinc/96/99/54/928969954.db2.gz	HWIXFWJBOWMCMD-LBPRGKRZSA-N	1	0	357.370	1.403	20	30		FDEDRO
C#CCN1CCN(C(=O)CN2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)CC1	ZINC000766963133	929021442	/nfs/dbraw/zinc/02/14/42/929021442.db2.gz	HJQWSRXOVWMLBO-WOJBJXKFSA-N	1	0	368.525	1.359	20	30		FDEDRO
Cc1cc(S(=O)(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1C#N	ZINC000767485223	929325257	/nfs/dbraw/zinc/32/52/57/929325257.db2.gz	HUBTXWURDDKOLY-KRWDZBQOSA-N	1	0	363.483	1.788	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCCCS1(=O)=O)C2	ZINC001109527544	929676828	/nfs/dbraw/zinc/67/68/28/929676828.db2.gz	YZNQFTNJNZXRKW-PMPSAXMXSA-N	1	0	355.504	1.100	20	30		FDEDRO
CCOCCC[N@@H+]1CCC(=NNc2nc(=O)c3cnn(C)c3[nH]2)[C@@H](C)C1	ZINC000769817356	929698762	/nfs/dbraw/zinc/69/87/62/929698762.db2.gz	LYWSNBCEDGULHK-LBPRGKRZSA-N	1	0	361.450	1.605	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1=O	ZINC000769841549	929717966	/nfs/dbraw/zinc/71/79/66/929717966.db2.gz	FEVLODFDMCEZRA-ZDUSSCGKSA-N	1	0	353.344	1.540	20	30		FDEDRO
O=S(=O)(c1ccc(C[NH2+]CC#Cc2ccccc2)cc1)N1CCOCC1	ZINC000769928442	929765579	/nfs/dbraw/zinc/76/55/79/929765579.db2.gz	PGOXFAHKFLBONX-UHFFFAOYSA-N	1	0	370.474	1.849	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]([C@H](O)c3nccn3C)C2)CC1	ZINC000770022067	929803507	/nfs/dbraw/zinc/80/35/07/929803507.db2.gz	ZRIUKHHULSNCLD-WBVHZDCISA-N	1	0	361.490	1.526	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2	ZINC001109590151	929876984	/nfs/dbraw/zinc/87/69/84/929876984.db2.gz	VALYLLCHKURKGY-YVSFHVDLSA-N	1	0	362.518	1.273	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1C(=O)CNC1=O	ZINC001109634614	929954155	/nfs/dbraw/zinc/95/41/55/929954155.db2.gz	RUKRLHPHQWZPJM-WCVJEAGWSA-N	1	0	362.474	1.252	20	30		FDEDRO
C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](O)COCCOC)CC1	ZINC001109674632	930118192	/nfs/dbraw/zinc/11/81/92/930118192.db2.gz	WRLVCWWVUXPPOV-YRXWBPOGSA-N	1	0	366.502	1.478	20	30		FDEDRO
Cn1ncc(CCC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)n1	ZINC001109724982	930232840	/nfs/dbraw/zinc/23/28/40/930232840.db2.gz	SVJIVTHMGNBIDJ-QYZOEREBSA-N	1	0	364.453	1.541	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)CCc1nc2c(cnn2C)c(=O)[nH]1	ZINC000770807106	930268061	/nfs/dbraw/zinc/26/80/61/930268061.db2.gz	XMGWGMCEMIZVKD-CYBMUJFWSA-N	1	0	359.430	1.278	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCC1CC1	ZINC001109806223	930467249	/nfs/dbraw/zinc/46/72/49/930467249.db2.gz	RXFFLWHYFIVTEV-XWSJACJDSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCCN1CCOCC1)C2	ZINC001109843676	930577324	/nfs/dbraw/zinc/57/73/24/930577324.db2.gz	XDTXAWVZJVJSLF-QYZOEREBSA-N	1	0	365.518	1.413	20	30		FDEDRO
C[C@H]1C[N@H+](CCC(=O)N(C)CCC#N)CC[C@@H]1NC(=O)OC(C)(C)C	ZINC000771447107	930680740	/nfs/dbraw/zinc/68/07/40/930680740.db2.gz	LCJZUKADOHBLEQ-GJZGRUSLSA-N	1	0	352.479	1.984	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c(C)cc(C)nc1=O)C2	ZINC001109888344	930688338	/nfs/dbraw/zinc/68/83/38/930688338.db2.gz	AMUJPWYFJIPYFD-BGTYHANMSA-N	1	0	358.486	1.936	20	30		FDEDRO
C[NH+]1CCN(c2ccc(C=NNC(=S)NCC(F)(F)F)cc2)CC1	ZINC000771561815	930743501	/nfs/dbraw/zinc/74/35/01/930743501.db2.gz	ANEFODPFRDOYQL-UHFFFAOYSA-N	1	0	359.421	1.799	20	30		FDEDRO
COC(=O)C1=NOC2(C1)CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2	ZINC000771778838	930879363	/nfs/dbraw/zinc/87/93/63/930879363.db2.gz	IWPBQYUIQOVHCA-DYVFJYSZSA-N	1	0	364.446	1.213	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)NCCc2ccccc2C)CC1	ZINC000772111379	931080070	/nfs/dbraw/zinc/08/00/70/931080070.db2.gz	ZTTVEINYKVLYSF-KRWDZBQOSA-N	1	0	356.466	1.931	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)N[C@@H](C)Cc2ccccc2C)CC1	ZINC000772111012	931080368	/nfs/dbraw/zinc/08/03/68/931080368.db2.gz	YKRFABVWWGZVPS-KRWDZBQOSA-N	1	0	356.466	1.931	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)NCCO[C@H]2CCCC[C@@H]2C)CC1	ZINC000772122122	931087903	/nfs/dbraw/zinc/08/79/03/931087903.db2.gz	QKPRBEPLMSTWRO-WMZOPIPTSA-N	1	0	364.486	1.586	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@]1(C)CCS(=O)(=O)N1)C2	ZINC001110034826	931155729	/nfs/dbraw/zinc/15/57/29/931155729.db2.gz	POCQWJGWEXMOMY-WBTNSWJXSA-N	1	0	355.504	1.146	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1C(=O)CNC1=O)C2	ZINC001110072107	931396599	/nfs/dbraw/zinc/39/65/99/931396599.db2.gz	CJNAKTBWPVEVKU-ILXRZTDVSA-N	1	0	350.463	1.230	20	30		FDEDRO
C#CCCCNC(=O)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1	ZINC000785567259	931512271	/nfs/dbraw/zinc/51/22/71/931512271.db2.gz	QTMOLIAOAOJLJA-UHFFFAOYSA-N	1	0	361.873	1.950	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(S(C)(=O)=O)CCC1)C2	ZINC001112554623	931523512	/nfs/dbraw/zinc/52/35/12/931523512.db2.gz	BKXPTYNFTPDGCW-RDJZCZTQSA-N	1	0	352.500	1.195	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn(C[C@H]3CCOC3)nn1)C2	ZINC001112554105	931537273	/nfs/dbraw/zinc/53/72/73/931537273.db2.gz	ZSWGGIOZDAWMGP-UWVAXJGDSA-N	1	0	371.485	1.170	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C1CC1)C1CC1)C2	ZINC001112560066	931570506	/nfs/dbraw/zinc/57/05/06/931570506.db2.gz	CXTWWYJCSHLPQB-UWJYYQICSA-N	1	0	359.514	1.943	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CCCS(=O)(=O)C1)C2	ZINC001112558413	931578456	/nfs/dbraw/zinc/57/84/56/931578456.db2.gz	GCKKQAAKIXSUCV-AOIWGVFYSA-N	1	0	366.527	1.443	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn([C@@H]3CCOC3)nn1)C2	ZINC001112558965	931583187	/nfs/dbraw/zinc/58/31/87/931583187.db2.gz	FJFXHKAZIGZMLO-FCEWJHQRSA-N	1	0	359.474	1.648	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccn3c(=O)[nH]nc13)C2	ZINC001112562630	931595797	/nfs/dbraw/zinc/59/57/97/931595797.db2.gz	HGNRBTSSKHTZPW-LIRRHRJNSA-N	1	0	353.426	1.290	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(C(=O)NC)nc1)C2	ZINC001112564844	931609435	/nfs/dbraw/zinc/60/94/35/931609435.db2.gz	UDBJCOISCWVPKQ-JXFKEZNVSA-N	1	0	356.470	1.849	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ncccc1OC)C2	ZINC001112569318	931657900	/nfs/dbraw/zinc/65/79/00/931657900.db2.gz	RCBWSIXNDUARTB-JXFKEZNVSA-N	1	0	357.454	1.572	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)C(C)(C)C)C2	ZINC001112578114	931731560	/nfs/dbraw/zinc/73/15/60/931731560.db2.gz	YIEATEGOXXFNIV-JXFKEZNVSA-N	1	0	363.502	1.017	20	30		FDEDRO
O=C(CC#Cc1ccccc1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1	ZINC001112583305	931753725	/nfs/dbraw/zinc/75/37/25/931753725.db2.gz	MVNVDAQHSQBGAE-UNMCSNQZSA-N	1	0	370.493	1.655	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](c1cccnc1)N(C)C)C2	ZINC001112586602	931777145	/nfs/dbraw/zinc/77/71/45/931777145.db2.gz	IBYSXDZAGXZANO-ZJOUEHCJSA-N	1	0	354.498	1.926	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(C)C2CC2)C1	ZINC001112588983	931801060	/nfs/dbraw/zinc/80/10/60/931801060.db2.gz	FUHAQBUMLJXCBA-FTRWYGJKSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCCC2)C1	ZINC001112589114	931802214	/nfs/dbraw/zinc/80/22/14/931802214.db2.gz	LTSOUGJGOQIBNU-UWVAXJGDSA-N	1	0	363.502	1.418	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c(OC)ncnc1OC)C2	ZINC001112592393	931828442	/nfs/dbraw/zinc/82/84/42/931828442.db2.gz	NDMBDLLPNZCVCZ-LIRRHRJNSA-N	1	0	358.442	1.349	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1C(=O)Nc3ccccc31)C2	ZINC001112590365	931836347	/nfs/dbraw/zinc/83/63/47/931836347.db2.gz	QZPGNPWVOVOPPF-WJPUGNRLSA-N	1	0	351.450	1.964	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC13CCOCC3)C2	ZINC001112593255	931850777	/nfs/dbraw/zinc/85/07/77/931850777.db2.gz	FGUSUWPCDYGYPC-UEXGIBASSA-N	1	0	360.498	1.671	20	30		FDEDRO
Cc1cnc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)cc1C#N	ZINC001170066714	932141465	/nfs/dbraw/zinc/14/14/65/932141465.db2.gz	QCMFVMZHBAKBDU-UHFFFAOYSA-N	1	0	367.434	1.964	20	30		FDEDRO
Cc1ccc(C#N)nc1N(CC[NH3+])S(=O)(=O)c1cccc2cnccc21	ZINC001170070510	932221538	/nfs/dbraw/zinc/22/15/38/932221538.db2.gz	CPFNLWXSBGWYNB-UHFFFAOYSA-N	1	0	367.434	1.964	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NCc1cccc(C[NH+](CC)CC)c1)[C@@H]1CCCO1	ZINC000787287893	932244709	/nfs/dbraw/zinc/24/47/09/932244709.db2.gz	GZVRJQJQMBCZRF-OALUTQOASA-N	1	0	371.481	1.442	20	30		FDEDRO
COc1ccc(CNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1C#N	ZINC000746728380	932572594	/nfs/dbraw/zinc/57/25/94/932572594.db2.gz	NTFXKMIYOOEABN-MRXNPFEDSA-N	1	0	372.469	1.867	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)Cc1ccccc1S(C)(=O)=O	ZINC000788203171	932599992	/nfs/dbraw/zinc/59/99/92/932599992.db2.gz	NXQIBZAXYFHFKA-OAHLLOKOSA-N	1	0	351.468	1.910	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccncc1	ZINC000788241336	932613885	/nfs/dbraw/zinc/61/38/85/932613885.db2.gz	FLMNXSLFHQDBJS-YJBOKZPZSA-N	1	0	362.499	1.369	20	30		FDEDRO
N#Cc1ccccc1CN1C(=O)CN(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)C1=O	ZINC000789509492	933064546	/nfs/dbraw/zinc/06/45/46/933064546.db2.gz	UOSKZBQRRYCAQO-ROUUACIJSA-N	1	0	368.437	1.923	20	30		FDEDRO
C#C[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(OC)c1)[C@H]1CCCO1	ZINC000790501905	933581615	/nfs/dbraw/zinc/58/16/15/933581615.db2.gz	KFXCJACSTIBPAS-RBUKOAKNSA-N	1	0	359.470	1.949	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2CCCCC2=O)C1	ZINC001086596596	933936986	/nfs/dbraw/zinc/93/69/86/933936986.db2.gz	JYEONNIVNGZXNH-RBUKOAKNSA-N	1	0	353.466	1.606	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnc3nccn3c2)C1	ZINC001086599162	934011622	/nfs/dbraw/zinc/01/16/22/934011622.db2.gz	YUKRSJJSZWHFGR-RBUKOAKNSA-N	1	0	359.433	1.950	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H](CO)Cc2ccc(F)c(F)c2)CC1	ZINC000791488462	934021681	/nfs/dbraw/zinc/02/16/81/934021681.db2.gz	WJWFDNKZTWCDEC-OAHLLOKOSA-N	1	0	350.409	1.577	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1	ZINC001086600114	934076246	/nfs/dbraw/zinc/07/62/46/934076246.db2.gz	AOZAOGHGOKAAGD-DLBZAZTESA-N	1	0	350.422	1.001	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC1	ZINC000791672868	934100005	/nfs/dbraw/zinc/10/00/05/934100005.db2.gz	SDWUFYPCDLUNOT-AWEZNQCLSA-N	1	0	364.243	1.857	20	30		FDEDRO
C[C@H]1CCC[C@@](CNC(=O)C(=O)NCc2cc(C#N)ccc2F)([NH+](C)C)C1	ZINC000793814412	934290728	/nfs/dbraw/zinc/29/07/28/934290728.db2.gz	RYYAPTOEEOOHIC-VBKZILBWSA-N	1	0	374.460	1.940	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(OC)nn2)C1	ZINC001086618264	938341341	/nfs/dbraw/zinc/34/13/41/938341341.db2.gz	AJZRGWYUFPDKGX-FUHWJXTLSA-N	1	0	350.422	1.706	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCN2C(C)=O)C1	ZINC001086620521	938359862	/nfs/dbraw/zinc/35/98/62/938359862.db2.gz	WZPPIHMZRFOGNO-ZCNNSNEGSA-N	1	0	353.466	1.605	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnn(CCOC)c2)C1	ZINC001086621629	938380365	/nfs/dbraw/zinc/38/03/65/938380365.db2.gz	FUJFPOPRPXRPDD-VQTJNVASSA-N	1	0	366.465	1.751	20	30		FDEDRO
CCCCCCCCC(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@@H]1n1ccnn1	ZINC001129400696	938415942	/nfs/dbraw/zinc/41/59/42/938415942.db2.gz	XJRWFSDGYDXMTH-BBWFWOEESA-N	1	0	351.495	1.751	20	30		FDEDRO
C#C[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccc(Cl)cc1F	ZINC000804419247	938427731	/nfs/dbraw/zinc/42/77/31/938427731.db2.gz	IHLHGNGOXSPZIQ-WBMJQRKESA-N	1	0	365.836	1.680	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)s2)C[C@@H]1n1ccnn1	ZINC001129530841	938446366	/nfs/dbraw/zinc/44/63/66/938446366.db2.gz	XXACYYIYBSUDOU-CABCVRRESA-N	1	0	361.471	1.506	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cccc(F)c2)C[C@@H]1n1ccnn1	ZINC001129537507	938453942	/nfs/dbraw/zinc/45/39/42/938453942.db2.gz	XWBHHVXEAHBAEN-SJORKVTESA-N	1	0	359.405	1.275	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cc(C)n[nH]2)C[C@@H]1n1ccnn1	ZINC001129624968	938472251	/nfs/dbraw/zinc/47/22/51/938472251.db2.gz	VQASPPLJTSHQCB-SJORKVTESA-N	1	0	357.462	1.711	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]CCCC2CCOCC2)[C@@H](n2ccnn2)C1	ZINC001129666568	938478439	/nfs/dbraw/zinc/47/84/39/938478439.db2.gz	BQLJJAZJJNKCAC-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]Cc2cccc(N(C)C)c2)[C@@H](n2ccnn2)C1	ZINC001129667218	938478746	/nfs/dbraw/zinc/47/87/46/938478746.db2.gz	RNYAUACIGUPXHS-MOPGFXCFSA-N	1	0	368.485	1.852	20	30		FDEDRO
CO[C@@H](C)CC(=O)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129675627	938490479	/nfs/dbraw/zinc/49/04/79/938490479.db2.gz	UWWXNDUOAIIDKH-UHOSZYNNSA-N	1	0	367.453	1.096	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCCOCC=C)C[C@@H]1n1ccnn1	ZINC001129733044	938496532	/nfs/dbraw/zinc/49/65/32/938496532.db2.gz	LQENIZQMPDFJHY-KURKYZTESA-N	1	0	361.490	1.957	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1n1ccnn1	ZINC001129736884	938497241	/nfs/dbraw/zinc/49/72/41/938497241.db2.gz	AIUYCEJYQUBAEK-XKQJLSEDSA-N	1	0	353.430	1.488	20	30		FDEDRO
CC(C)C[C@@H](C)C[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1n1ccnn1	ZINC001129738009	938497854	/nfs/dbraw/zinc/49/78/54/938497854.db2.gz	YKFTXZYVHFESNU-OLMNPRSZSA-N	1	0	369.473	1.815	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]Cc2cccc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129795320	938509026	/nfs/dbraw/zinc/50/90/26/938509026.db2.gz	FFLNOSIQMCRUFZ-MOPGFXCFSA-N	1	0	351.454	1.932	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CN(CC)CCO2)C1	ZINC001086625262	938511720	/nfs/dbraw/zinc/51/17/20/938511720.db2.gz	RASJNWQTOPKUJO-ZCNNSNEGSA-N	1	0	357.498	1.867	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CC(C)(C)C2CC2)C[C@@H]1n1ccnn1	ZINC001129812294	938520132	/nfs/dbraw/zinc/52/01/32/938520132.db2.gz	VKIDLWNHOTYQTH-SJORKVTESA-N	1	0	361.490	1.649	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1C[C@@H]([NH2+]Cc2ccsc2)[C@@H](n2ccnn2)C1	ZINC001129816930	938520965	/nfs/dbraw/zinc/52/09/65/938520965.db2.gz	NWUYYCJABIWRCV-CVEARBPZSA-N	1	0	357.483	1.931	20	30		FDEDRO
Cc1cncc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@@H]2n2ccnn2)c1	ZINC001129822209	938521989	/nfs/dbraw/zinc/52/19/89/938521989.db2.gz	KKYZWERMTJEOKG-MSOLQXFVSA-N	1	0	366.469	1.573	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(CCOCC)CCC2)C[C@@H]1n1ccnn1	ZINC001129844045	938525047	/nfs/dbraw/zinc/52/50/47/938525047.db2.gz	ATBCCRWYFXJXGH-SJORKVTESA-N	1	0	359.474	1.240	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C)cc2)[C@@H](n2ccnn2)C1	ZINC001129845203	938525427	/nfs/dbraw/zinc/52/54/27/938525427.db2.gz	OUNDFYMFNPRBFP-MOPGFXCFSA-N	1	0	367.453	1.168	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cccc3n[nH]nc32)C[C@@H]1n1ccnn1	ZINC001129863331	938531711	/nfs/dbraw/zinc/53/17/11/938531711.db2.gz	CECRWOSLRNFLBH-CVEARBPZSA-N	1	0	366.429	1.171	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2nn(C)cc2Cl)C[C@@H]1n1ccnn1	ZINC001129864150	938531911	/nfs/dbraw/zinc/53/19/11/938531911.db2.gz	QYWPWCWWKOYKQL-KGLIPLIRSA-N	1	0	363.853	1.287	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnc3n2[C@@H](C)CCC3)C[C@@H]1n1ccnn1	ZINC001129864128	938532010	/nfs/dbraw/zinc/53/20/10/938532010.db2.gz	QAIZWKIRBKXBEO-UXLLHSPISA-N	1	0	367.457	1.051	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC3(CC3)C2)C[C@@H]1n1ccnn1	ZINC001129837862	938535038	/nfs/dbraw/zinc/53/50/38/938535038.db2.gz	NKSTYRXQAFUUQZ-KURKYZTESA-N	1	0	371.485	1.240	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCCCOCCC=C)C[C@@H]1n1ccnn1	ZINC001129838366	938535515	/nfs/dbraw/zinc/53/55/15/938535515.db2.gz	WCIFJACNOOXSNQ-MSOLQXFVSA-N	1	0	361.490	1.959	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3nccn32)C[C@@H]1n1ccnn1	ZINC001129892177	938542936	/nfs/dbraw/zinc/54/29/36/938542936.db2.gz	LKJSHIIZTGPTID-ZACQAIPSSA-N	1	0	369.473	1.360	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C(CC=C)CC=C)C[C@@H]1n1ccnn1	ZINC001129867288	938543883	/nfs/dbraw/zinc/54/38/83/938543883.db2.gz	PWCZVBSSAIXYPW-MSOLQXFVSA-N	1	0	359.474	1.591	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccnc3[nH]cnc32)C[C@@H]1n1ccnn1	ZINC001129874632	938545958	/nfs/dbraw/zinc/54/59/58/938545958.db2.gz	LGUAYRVVQMJLRV-CABCVRRESA-N	1	0	366.429	1.171	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccn(C(F)F)n2)C[C@@H]1n1ccnn1	ZINC001129874684	938546004	/nfs/dbraw/zinc/54/60/04/938546004.db2.gz	MZIHBDUNVMJEBA-OLZOCXBDSA-N	1	0	351.361	1.101	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H]([NH2+]CCOCC2CC2)[C@@H](n2ccnn2)C1	ZINC001129876222	938546541	/nfs/dbraw/zinc/54/65/41/938546541.db2.gz	FQNFMMQVMKOOGH-SJORKVTESA-N	1	0	361.490	1.649	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccn(C3CCCC3)n2)C[C@@H]1n1ccnn1	ZINC001129876637	938547012	/nfs/dbraw/zinc/54/70/12/938547012.db2.gz	UPWOBMFRTDJEIO-MSOLQXFVSA-N	1	0	369.473	1.821	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)c(F)cc2F)C[C@@H]1n1ccnn1	ZINC001129904237	938547687	/nfs/dbraw/zinc/54/76/87/938547687.db2.gz	CLEKFCTXBJVGOI-SJORKVTESA-N	1	0	359.380	1.543	20	30		FDEDRO
CCCC[C@](C)(F)C(=O)N1C[C@@H]([NH2+]CC#CCOC)[C@@H](n2ccnn2)C1	ZINC001129916696	938553595	/nfs/dbraw/zinc/55/35/95/938553595.db2.gz	AZKJMDOGTVUHNU-RYRKJORJSA-N	1	0	365.453	1.188	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3ccnc3C2)C[C@@H]1n1ccnn1	ZINC001129916902	938553933	/nfs/dbraw/zinc/55/39/33/938553933.db2.gz	HGDTUYCQPNGDSQ-BBWFWOEESA-N	1	0	369.473	1.045	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cn(C)nc2C)C[C@@H]1n1ccnn1	ZINC001129895507	938556977	/nfs/dbraw/zinc/55/69/77/938556977.db2.gz	AUUCDGJAOJHJRK-QGTPRVQTSA-N	1	0	371.489	1.259	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2n[nH]c(CC)c2Cl)C[C@@H]1n1ccnn1	ZINC001129895864	938557104	/nfs/dbraw/zinc/55/71/04/938557104.db2.gz	LBXLTINBYSLAAJ-OLZOCXBDSA-N	1	0	363.853	1.448	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)n2ccnc2)C[C@@H]1n1ccnn1	ZINC001129902504	938561289	/nfs/dbraw/zinc/56/12/89/938561289.db2.gz	PBJVLILCDLRJDW-ZACQAIPSSA-N	1	0	357.462	1.290	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2ccon2)C[C@@H]1n1ccnn1	ZINC001129931870	938562035	/nfs/dbraw/zinc/56/20/35/938562035.db2.gz	DIZCGLWVJKXKHG-OIISXLGYSA-N	1	0	358.446	1.595	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)cc(Cl)c2)C[C@@H]1n1ccnn1	ZINC001129932218	938562351	/nfs/dbraw/zinc/56/23/51/938562351.db2.gz	RKJNTOLFXCDXEV-SJORKVTESA-N	1	0	357.845	1.919	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)c(C)n2)C[C@@H]1n1ccnn1	ZINC001129934173	938563164	/nfs/dbraw/zinc/56/31/64/938563164.db2.gz	SJNBPTJJIHKYDC-MSOLQXFVSA-N	1	0	354.458	1.911	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc3ncccc3o2)C[C@@H]1n1ccnn1	ZINC001129936489	938563748	/nfs/dbraw/zinc/56/37/48/938563748.db2.gz	AJLIARFOFMZRQO-CABCVRRESA-N	1	0	352.398	1.651	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3cncn3C2)C[C@@H]1n1ccnn1	ZINC001129918927	938567483	/nfs/dbraw/zinc/56/74/83/938567483.db2.gz	MHIWSBJVHCTZOD-JQHSSLGASA-N	1	0	369.473	1.045	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@@H]1n1ccnn1	ZINC001129918794	938567523	/nfs/dbraw/zinc/56/75/23/938567523.db2.gz	JCGASKZSKZJEJV-CVEARBPZSA-N	1	0	355.446	1.111	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)ccc2OC)C[C@@H]1n1ccnn1	ZINC001129926880	938571173	/nfs/dbraw/zinc/57/11/73/938571173.db2.gz	GKIOYMSPGQRPQV-SJORKVTESA-N	1	0	353.426	1.274	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001129930599	938573137	/nfs/dbraw/zinc/57/31/37/938573137.db2.gz	LZLCDTSLJJPKIJ-UHOSZYNNSA-N	1	0	369.469	1.801	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cc(C)nn2C)C[C@@H]1n1ccnn1	ZINC001129930883	938573318	/nfs/dbraw/zinc/57/33/18/938573318.db2.gz	XKPAIMXWIUAQQJ-OLMNPRSZSA-N	1	0	371.489	1.259	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2c(C)cnn2C)C[C@@H]1n1ccnn1	ZINC001129963869	938579136	/nfs/dbraw/zinc/57/91/36/938579136.db2.gz	JZSXXEKFEVTTIE-OAGGEKHMSA-N	1	0	357.462	1.330	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H]([NH2+]CCC[C@@H](C)O)[C@@H](n2ccnn2)C1	ZINC001129964166	938579903	/nfs/dbraw/zinc/57/99/03/938579903.db2.gz	ZOHLPIDELZHBGS-KURKYZTESA-N	1	0	361.490	1.364	20	30		FDEDRO
C#CCN(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1	ZINC000804835559	938591071	/nfs/dbraw/zinc/59/10/71/938591071.db2.gz	RBOJPZSYZRUCRV-WOJBJXKFSA-N	1	0	367.493	1.981	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2nc(Cl)cs2)C[C@@H]1n1ccnn1	ZINC001129977748	938592710	/nfs/dbraw/zinc/59/27/10/938592710.db2.gz	DUBMDQHTBKTABH-MNOVXSKESA-N	1	0	350.835	1.067	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H]([NH2+]CCCOC(C)C)[C@@H](n3ccnn3)C2)C1	ZINC001129997486	938605594	/nfs/dbraw/zinc/60/55/94/938605594.db2.gz	OQZDHJLPDUJMEP-SJORKVTESA-N	1	0	361.490	1.791	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC(F)(F)C2)C[C@@H]1n1ccnn1	ZINC001130002772	938609181	/nfs/dbraw/zinc/60/91/81/938609181.db2.gz	QRGGNBWHZXUIEC-KFWWJZLASA-N	1	0	351.401	1.468	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCc3nc(C)sc32)CC1	ZINC000804892343	938610704	/nfs/dbraw/zinc/61/07/04/938610704.db2.gz	CWFZZXMOIDMSHK-OAHLLOKOSA-N	1	0	362.499	1.712	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2cccnc2)C[C@@H]1n1ccnn1	ZINC001130005623	938622705	/nfs/dbraw/zinc/62/27/05/938622705.db2.gz	AIXFWSUOSDJZLT-JQHSSLGASA-N	1	0	370.457	1.448	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C2(CF)CCOCC2)C[C@@H]1n1ccnn1	ZINC001130007262	938624634	/nfs/dbraw/zinc/62/46/34/938624634.db2.gz	GPIRBTLHWHQCTR-CVEARBPZSA-N	1	0	365.453	1.352	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(CCCCC)n[nH]2)C[C@@H]1n1ccnn1	ZINC001130040814	938627244	/nfs/dbraw/zinc/62/72/44/938627244.db2.gz	MVZQUKODTMLCSB-MSOLQXFVSA-N	1	0	369.473	1.413	20	30		FDEDRO
C=CC1(CC(=O)N2C[C@@H]([NH2+]CCOC)[C@@H](n3ccnn3)C2)CCCCC1	ZINC001130041008	938627458	/nfs/dbraw/zinc/62/74/58/938627458.db2.gz	XUVKWGDZTGGQQD-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)c(OCC)c2)C[C@@H]1n1ccnn1	ZINC001130026081	938628775	/nfs/dbraw/zinc/62/87/75/938628775.db2.gz	AFADXBFFORXQKD-MSOLQXFVSA-N	1	0	367.453	1.664	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)C[C@@H]1n1ccnn1	ZINC001130034823	938634955	/nfs/dbraw/zinc/63/49/55/938634955.db2.gz	ZBFRPCVAADWMKQ-SWBPCFCJSA-N	1	0	363.465	1.782	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2c(C)n[nH]c2C)C[C@@H]1n1ccnn1	ZINC001130044005	938642963	/nfs/dbraw/zinc/64/29/63/938642963.db2.gz	KWGXRSXWSKRDGY-WQVCFCJDSA-N	1	0	357.462	1.339	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(F)F)cc2)C[C@@H]1n1ccnn1	ZINC001130044097	938643292	/nfs/dbraw/zinc/64/32/92/938643292.db2.gz	PXNFAENQMMOKIM-CVEARBPZSA-N	1	0	359.380	1.894	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2noc3c2C[C@@H](C)CC3)C[C@@H]1n1ccnn1	ZINC001130065638	938653401	/nfs/dbraw/zinc/65/34/01/938653401.db2.gz	MRUWZQCJHUUQDF-IMJJTQAJSA-N	1	0	370.457	1.622	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cnn(C)c2)C[C@@H]1n1ccnn1	ZINC001130066853	938655566	/nfs/dbraw/zinc/65/55/66/938655566.db2.gz	NRWVLGDLMRUOBC-SJORKVTESA-N	1	0	371.489	1.297	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c3c(nn2C)CCC3)C[C@@H]1n1ccnn1	ZINC001130081353	938662629	/nfs/dbraw/zinc/66/26/29/938662629.db2.gz	KJIYRIOESQWRCK-SJORKVTESA-N	1	0	369.473	1.122	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn(CC3CC3)c2)C[C@@H]1n1ccnn1	ZINC001130077302	938670334	/nfs/dbraw/zinc/67/03/34/938670334.db2.gz	BDGYGZQDXNFHQG-SJORKVTESA-N	1	0	355.446	1.116	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnn(CC3CC3)c2)C[C@@H]1n1ccnn1	ZINC001130077735	938671340	/nfs/dbraw/zinc/67/13/40/938671340.db2.gz	WXKZDJIHXRBVGP-MSOLQXFVSA-N	1	0	369.473	1.506	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)C1CCCC1	ZINC000805156325	938682718	/nfs/dbraw/zinc/68/27/18/938682718.db2.gz	QFTGPWZCMSJYTM-UHFFFAOYSA-N	1	0	363.502	1.396	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(COC)c(F)c2)C[C@@H]1n1ccnn1	ZINC001130105223	938685945	/nfs/dbraw/zinc/68/59/45/938685945.db2.gz	QZEBFFZEVVQTRB-MSOLQXFVSA-N	1	0	371.416	1.242	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2OCc3ccccc32)C[C@@H]1n1ccnn1	ZINC001130107679	938687391	/nfs/dbraw/zinc/68/73/91/938687391.db2.gz	VGYWVFCWBSKEKW-QYZOEREBSA-N	1	0	365.437	1.305	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ncccc2OC(C)C)C[C@@H]1n1ccnn1	ZINC001130109843	938688750	/nfs/dbraw/zinc/68/87/50/938688750.db2.gz	JUBHKPHPIZISCR-CVEARBPZSA-N	1	0	368.441	1.139	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3c(s2)CCCC3)C[C@@H]1n1ccnn1	ZINC001130111303	938690272	/nfs/dbraw/zinc/69/02/72/938690272.db2.gz	CCLNDWNBQYDSII-CVEARBPZSA-N	1	0	369.494	1.897	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)c(CC)s2)C[C@@H]1n1ccnn1	ZINC001130114754	938693649	/nfs/dbraw/zinc/69/36/49/938693649.db2.gz	ARULCXYHJIZDTI-CABCVRRESA-N	1	0	357.483	1.889	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2ccc(C)nc2)C[C@@H]1n1ccnn1	ZINC001130125147	938695935	/nfs/dbraw/zinc/69/59/35/938695935.db2.gz	ANCYFGPMYDJUGU-QRQLOZEOSA-N	1	0	368.485	1.920	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCOc2ccccc2C)C[C@@H]1n1ccnn1	ZINC001130125170	938695992	/nfs/dbraw/zinc/69/59/92/938695992.db2.gz	BITNHRDZKZYOND-SJORKVTESA-N	1	0	355.442	1.583	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cccnc2N(C)C)C[C@@H]1n1ccnn1	ZINC001130127675	938697517	/nfs/dbraw/zinc/69/75/17/938697517.db2.gz	DRVQVFNRJBIWPL-SJORKVTESA-N	1	0	369.473	1.361	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130118492	938701666	/nfs/dbraw/zinc/70/16/66/938701666.db2.gz	HWQJTPPKOOXCDY-MSOLQXFVSA-N	1	0	351.454	1.621	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC=C)Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130132638	938707419	/nfs/dbraw/zinc/70/74/19/938707419.db2.gz	JHWXBMCONPSFEI-ZCNNSNEGSA-N	1	0	363.465	1.688	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)N(C)C)C[C@@H]1n1ccnn1	ZINC001130140255	938712074	/nfs/dbraw/zinc/71/20/74/938712074.db2.gz	SGIDJXXURDXEHP-QYZOEREBSA-N	1	0	368.485	1.499	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2ccccc2C)C[C@@H]1n1ccnn1	ZINC001130143506	938714840	/nfs/dbraw/zinc/71/48/40/938714840.db2.gz	WTSVCMCSSUGESN-QRQLOZEOSA-N	1	0	351.454	1.755	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2nonc2C)C[C@@H]1n1ccnn1	ZINC001130153406	938717229	/nfs/dbraw/zinc/71/72/29/938717229.db2.gz	PEQPXLVPUQLWLI-CABCVRRESA-N	1	0	359.434	1.371	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)CC)cc2)C[C@@H]1n1ccnn1	ZINC001130155612	938718663	/nfs/dbraw/zinc/71/86/63/938718663.db2.gz	RUXYNYGTHNVYGF-MOPGFXCFSA-N	1	0	366.469	1.413	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(C)n(C(C)C)n2)C[C@@H]1n1ccnn1	ZINC001130158769	938720052	/nfs/dbraw/zinc/72/00/52/938720052.db2.gz	QOLSCVXHGNCRDI-MSOLQXFVSA-N	1	0	371.489	1.985	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](OC)C2CCCCC2)C[C@@H]1n1ccnn1	ZINC001130161111	938721314	/nfs/dbraw/zinc/72/13/14/938721314.db2.gz	NUDAYKXTRFVBAT-FGTMMUONSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]([NH2+]C[C@H](C)OC)[C@@H](n3ccnn3)C2)CCCC1	ZINC001130163457	938722008	/nfs/dbraw/zinc/72/20/08/938722008.db2.gz	LDTFNHOPMZFYPV-BBWFWOEESA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCOCCOC)C[C@@H]1n1ccnn1	ZINC001130148206	938722500	/nfs/dbraw/zinc/72/25/00/938722500.db2.gz	KDRYGUNWEXRDST-ZACQAIPSSA-N	1	0	365.478	1.027	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(F)F)[nH]1	ZINC001130179555	938726772	/nfs/dbraw/zinc/72/67/72/938726772.db2.gz	ILABWNHGDCUGRM-RYUDHWBXSA-N	1	0	357.405	1.504	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CSC)[nH]1	ZINC001130181671	938728829	/nfs/dbraw/zinc/72/88/29/938728829.db2.gz	PBLBBSWGPJQSLU-IHRRRGAJSA-N	1	0	367.519	1.601	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H](C)C(C)C)n1	ZINC001130193236	938737853	/nfs/dbraw/zinc/73/78/53/938737853.db2.gz	OAGHNUZABBDINL-PMPSAXMXSA-N	1	0	361.490	1.589	20	30		FDEDRO
CC/C=C\CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)C#N)[nH]1	ZINC001130203208	938744888	/nfs/dbraw/zinc/74/48/88/938744888.db2.gz	SXQHULSSHWQXDQ-VMPYYGSESA-N	1	0	360.462	1.399	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)(C)C(=C)Cl)n1	ZINC001130216195	938752638	/nfs/dbraw/zinc/75/26/38/938752638.db2.gz	QKCWXBUPAYAHGB-STQMWFEESA-N	1	0	365.865	1.295	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCC(C)(F)F)[nH]1	ZINC001130220641	938756199	/nfs/dbraw/zinc/75/61/99/938756199.db2.gz	HKTYVZCRGRWNHF-STQMWFEESA-N	1	0	371.432	1.895	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCc2ccccn2)[nH]1	ZINC001130227534	938761225	/nfs/dbraw/zinc/76/12/25/938761225.db2.gz	CKIGOFYJEUGBEV-HOTGVXAUSA-N	1	0	370.457	1.097	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](F)CC)n1	ZINC001130229785	938763271	/nfs/dbraw/zinc/76/32/71/938763271.db2.gz	GAWCSPMQDPNQDO-TUAOUCFPSA-N	1	0	359.833	1.384	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC(C)=C(C)C)[nH]1	ZINC001130229981	938763646	/nfs/dbraw/zinc/76/36/46/938763646.db2.gz	LIWYXWBECXXHRF-HOTGVXAUSA-N	1	0	359.474	1.653	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC(C)(F)F)[nH]1	ZINC001130232173	938764753	/nfs/dbraw/zinc/76/47/53/938764753.db2.gz	BIPGPYZDQHEUSA-STQMWFEESA-N	1	0	371.432	1.895	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1	ZINC001130232222	938764761	/nfs/dbraw/zinc/76/47/61/938764761.db2.gz	DFIAGDUACIDPOL-RDBSUJKOSA-N	1	0	353.442	1.455	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](OC)C(C)C)[nH]1	ZINC001130234737	938766066	/nfs/dbraw/zinc/76/60/66/938766066.db2.gz	JGBKQORHRFZJDR-OFQRWUPVSA-N	1	0	365.478	1.130	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)[nH]1	ZINC001130234950	938766266	/nfs/dbraw/zinc/76/62/66/938766266.db2.gz	QPKLWFIDPLGCQR-DOXZYTNZSA-N	1	0	361.490	1.895	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C(C)C)CC2)[nH]1	ZINC001130234748	938766325	/nfs/dbraw/zinc/76/63/25/938766325.db2.gz	JOHGBEWNGTWZMR-GJZGRUSLSA-N	1	0	361.490	1.895	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(CF)CC2)[nH]1	ZINC001130237960	938767409	/nfs/dbraw/zinc/76/74/09/938767409.db2.gz	MDBVFRXYKJPSSN-STQMWFEESA-N	1	0	351.426	1.209	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)c2ccco2)[nH]1	ZINC001130238202	938767768	/nfs/dbraw/zinc/76/77/68/938767768.db2.gz	YPFNGAUQEGLTSI-YCPHGPKFSA-N	1	0	371.441	1.303	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(CF)CC2)[nH]1	ZINC001130238101	938767776	/nfs/dbraw/zinc/76/77/76/938767776.db2.gz	TXVLSIJRAGHQDH-KBPBESRZSA-N	1	0	365.453	1.599	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC(CC)CC)[nH]1	ZINC001130244340	938770488	/nfs/dbraw/zinc/77/04/88/938770488.db2.gz	HPKZWQWVFKVSEK-HOTGVXAUSA-N	1	0	361.490	1.733	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)c2ccccc2)n1	ZINC001130248934	938773320	/nfs/dbraw/zinc/77/33/20/938773320.db2.gz	BALSVFRQEJEIJG-XIRDDKMYSA-N	1	0	367.453	1.320	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C)cc2)[nH]1	ZINC001130251264	938774619	/nfs/dbraw/zinc/77/46/19/938774619.db2.gz	KNBDAEBYNRANGQ-IRXDYDNUSA-N	1	0	367.453	1.529	20	30		FDEDRO
CC/C=C\CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)C#N)CC1	ZINC001130282373	938780087	/nfs/dbraw/zinc/78/00/87/938780087.db2.gz	UDCWRQHHTUDMPA-WHMBCSLKSA-N	1	0	360.502	1.978	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCSC)CC1	ZINC001130269375	938783965	/nfs/dbraw/zinc/78/39/65/938783965.db2.gz	MNYORUAIDYACFZ-QAPCUYQASA-N	1	0	353.532	1.791	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](CC)OCC)CC1	ZINC001130278891	938789048	/nfs/dbraw/zinc/78/90/48/938789048.db2.gz	IYNGQYFNLWGUST-LMMKCTJWSA-N	1	0	363.502	1.300	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC=C)CC1	ZINC001130279281	938789577	/nfs/dbraw/zinc/78/95/77/938789577.db2.gz	ZRGKXVKXJBVJTP-WDYCEAGBSA-N	1	0	363.502	1.629	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2(COC)CCC2)CC1	ZINC001130293265	938796825	/nfs/dbraw/zinc/79/68/25/938796825.db2.gz	QBICLSIKCUULBG-AEFFLSMTSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2(COC)CC2)CC1	ZINC001130293507	938797056	/nfs/dbraw/zinc/79/70/56/938797056.db2.gz	XKOSBAAFCZBEDB-AEFFLSMTSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1	ZINC001130298806	938798989	/nfs/dbraw/zinc/79/89/89/938798989.db2.gz	HQEMOFAEHBIUEM-OGWOLHLISA-N	1	0	351.491	1.056	20	30		FDEDRO
C=CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2ncccn2)CC1	ZINC001130305430	938803979	/nfs/dbraw/zinc/80/39/79/938803979.db2.gz	ZUIMYYJNQPOGPO-AEFFLSMTSA-N	1	0	371.485	1.532	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCF)CC1	ZINC001130313297	938807832	/nfs/dbraw/zinc/80/78/32/938807832.db2.gz	SSECTABAXVMAEM-LESCRADOSA-N	1	0	369.481	1.413	20	30		FDEDRO
C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3cc(C#N)cnn3)cc2)CC1	ZINC001170489197	938830199	/nfs/dbraw/zinc/83/01/99/938830199.db2.gz	GLSBMPVTPUOXGT-IUDNXUCKSA-N	1	0	350.426	1.720	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1	ZINC001130427254	938844994	/nfs/dbraw/zinc/84/49/94/938844994.db2.gz	MQVHTKUTOFVFOM-DDBAPUKQSA-N	1	0	372.469	1.033	20	30		FDEDRO
CC(C)CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1c1cn(C)cn1	ZINC001130546530	938901584	/nfs/dbraw/zinc/90/15/84/938901584.db2.gz	GIAIRGQZSWWEHX-XYJFISCASA-N	1	0	361.490	1.526	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCC([C@@H](O)C[NH+]2CCN(CCC#N)CC2)CC1	ZINC000822784670	945221467	/nfs/dbraw/zinc/22/14/67/945221467.db2.gz	FIUGNPCOPJEJCW-KRWDZBQOSA-N	1	0	366.506	1.526	20	30		FDEDRO
C[C@@H]1C[C@H](C(F)F)n2ncc(C(=O)NC3(C#N)CC[NH+](C)CC3)c2N1	ZINC001136630409	945232594	/nfs/dbraw/zinc/23/25/94/945232594.db2.gz	PRQWOGUCMNQMQV-ZYHUDNBSSA-N	1	0	352.389	1.611	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCn2cccn2)C1	ZINC001130573832	939874101	/nfs/dbraw/zinc/87/41/01/939874101.db2.gz	BHQQKTDTKVQQJX-PKOBYXMFSA-N	1	0	368.485	1.394	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2ncc[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130575931	939878511	/nfs/dbraw/zinc/87/85/11/939878511.db2.gz	BEQWNMZQQJSCCX-DOTOQJQBSA-N	1	0	356.474	1.626	20	30		FDEDRO
Cc1cc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2c2cn(C)cn2)ncn1	ZINC001130583801	939884437	/nfs/dbraw/zinc/88/44/37/939884437.db2.gz	RPFHSJBMGQACCJ-PKOBYXMFSA-N	1	0	366.469	1.262	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnnn2CC)C[C@H]1c1cn(C)cn1	ZINC001130578415	939890672	/nfs/dbraw/zinc/89/06/72/939890672.db2.gz	MBODUCARQGCEAU-YQQAZPJKSA-N	1	0	371.489	1.584	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(c3ccccn3)CC2)C[C@H]1c1cn(C)cn1	ZINC001130590526	939897801	/nfs/dbraw/zinc/89/78/01/939897801.db2.gz	VAGSJSDPJDOONP-FUHWJXTLSA-N	1	0	363.465	1.454	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCCc2ncc(C)o2)C[C@H]1c1cn(C)cn1	ZINC001130610774	939908357	/nfs/dbraw/zinc/90/83/57/939908357.db2.gz	QEHCCEZWCQMSJO-FUHWJXTLSA-N	1	0	369.469	1.647	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnc(C)nc2)C1	ZINC001130602601	939914171	/nfs/dbraw/zinc/91/41/71/939914171.db2.gz	JXSLAINRDALQOY-PKOBYXMFSA-N	1	0	368.485	1.959	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccnc(OC)c2)C[C@H]1c1cn(C)cn1	ZINC001130622114	939920556	/nfs/dbraw/zinc/92/05/56/939920556.db2.gz	QHRDATBZCBEMKD-FUHWJXTLSA-N	1	0	369.469	1.988	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2cc(C)nn2C)C[C@H]1c1cn(C)cn1	ZINC001130625973	939923736	/nfs/dbraw/zinc/92/37/36/939923736.db2.gz	FGYHBHQWGAAQKO-FUHWJXTLSA-N	1	0	356.474	1.165	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2cncnc2)C[C@H]1c1cn(C)cn1	ZINC001130626014	939923772	/nfs/dbraw/zinc/92/37/72/939923772.db2.gz	GLPMTGOFKBKLRL-PKOBYXMFSA-N	1	0	368.485	1.693	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C[C@H]1c1cn(C)cn1	ZINC001130628156	939925570	/nfs/dbraw/zinc/92/55/70/939925570.db2.gz	BOICEBAJSHAKAH-HLNWXESRSA-N	1	0	372.513	1.943	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2C[C@H]2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130630732	939935054	/nfs/dbraw/zinc/93/50/54/939935054.db2.gz	TVZOYUWWEKQRJJ-CGBFIWBNSA-N	1	0	370.497	1.390	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2occ3c2CCOC3)C[C@H]1c1cn(C)cn1	ZINC001130632600	939935942	/nfs/dbraw/zinc/93/59/42/939935942.db2.gz	IKEROBMTTNQZHQ-FUHWJXTLSA-N	1	0	370.453	1.860	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(=O)[nH]c2)C[C@H]1c1cn(C)cn1	ZINC001130632645	939935949	/nfs/dbraw/zinc/93/59/49/939935949.db2.gz	LBOOZJJQCDUZHW-FUHWJXTLSA-N	1	0	369.469	1.614	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2c(C)nn(C)c2C)C[C@H]1c1cn(C)cn1	ZINC001130637806	939939794	/nfs/dbraw/zinc/93/97/94/939939794.db2.gz	MIOLYHYHOUQYMJ-PKOBYXMFSA-N	1	0	370.501	1.473	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C2(c3cc(C)no3)CC2)C[C@H]1c1cn(C)cn1	ZINC001130649223	939944401	/nfs/dbraw/zinc/94/44/01/939944401.db2.gz	AWIVOUVACMXQEC-DOTOQJQBSA-N	1	0	369.469	1.908	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3nn[nH]c32)C[C@H]1c1cn(C)cn1	ZINC001130654434	939948145	/nfs/dbraw/zinc/94/81/45/939948145.db2.gz	JHSCUVKMJRBHMY-JKIFEVAISA-N	1	0	369.473	1.118	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CCCC2CC2)C[C@H]1c1cn(C)cn1	ZINC001130646640	939954902	/nfs/dbraw/zinc/95/49/02/939954902.db2.gz	DPCIINLXSPTGSU-PKOBYXMFSA-N	1	0	358.486	1.534	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCn2nc(C)cc2C)C[C@H]1c1cn(C)cn1	ZINC001130685366	939975277	/nfs/dbraw/zinc/97/52/77/939975277.db2.gz	PYBXAMHJOQTSLO-PKOBYXMFSA-N	1	0	368.485	1.231	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnc(C3CC3)nc2)C[C@H]1c1cn(C)cn1	ZINC001130687640	939977519	/nfs/dbraw/zinc/97/75/19/939977519.db2.gz	JQNFDNOMEYDEFN-FUHWJXTLSA-N	1	0	364.453	1.309	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2noc3c2CCCC3)C[C@H]1c1cn(C)cn1	ZINC001130682934	939982730	/nfs/dbraw/zinc/98/27/30/939982730.db2.gz	PZHWMFMILUZCAU-DOTOQJQBSA-N	1	0	367.453	1.508	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc3nc[nH]c32)C[C@H]1c1cn(C)cn1	ZINC001130698995	939993227	/nfs/dbraw/zinc/99/32/27/939993227.db2.gz	YCBSGCZXURPTEZ-MAUKXSAKSA-N	1	0	362.437	1.518	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2Cl)C[C@H]1c1cn(C)cn1	ZINC001130709681	939997726	/nfs/dbraw/zinc/99/77/26/939997726.db2.gz	AWLQISFXWCJOIG-SWLSCSKDSA-N	1	0	360.849	1.028	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCC(=C)C)C2)nc1	ZINC001130714634	940006375	/nfs/dbraw/zinc/00/63/75/940006375.db2.gz	GIYRVJUVCHCACC-FXAWDEMLSA-N	1	0	363.465	1.960	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCCF)C2)nc1	ZINC001130715105	940007665	/nfs/dbraw/zinc/00/76/65/940007665.db2.gz	TWQISITVOQFECW-MAUKXSAKSA-N	1	0	355.417	1.354	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cccn2)C[C@H]1c1cn(C)cn1	ZINC001130708260	940013960	/nfs/dbraw/zinc/01/39/60/940013960.db2.gz	FWMYMUMRCAQVGX-XYJFISCASA-N	1	0	354.458	1.175	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2oc(CC)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130708584	940015179	/nfs/dbraw/zinc/01/51/79/940015179.db2.gz	ZTODAQXYUMUWIT-GOEBONIOSA-N	1	0	355.442	1.500	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCCc2ccccn2)C[C@H]1c1cn(C)cn1	ZINC001130719170	940021866	/nfs/dbraw/zinc/02/18/66/940021866.db2.gz	ALRXJWACRKNANV-AZUAARDMSA-N	1	0	365.481	1.745	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]cnc2C)C[C@H]1c1cn(C)cn1	ZINC001130719179	940021967	/nfs/dbraw/zinc/02/19/67/940021967.db2.gz	BFMOXDYAEXPLLL-URLQWDBASA-N	1	0	370.501	1.933	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@H]1c1cn(C)cn1	ZINC001130725765	940030414	/nfs/dbraw/zinc/03/04/14/940030414.db2.gz	DBWQALXTSLVKNM-FUHWJXTLSA-N	1	0	369.469	1.132	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(C)s2)C[C@H]1c1cn(C)cn1	ZINC001130736468	940037477	/nfs/dbraw/zinc/03/74/77/940037477.db2.gz	GCBKDOHXMHJKMC-FUHWJXTLSA-N	1	0	356.495	1.940	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3cccs3)n2)O1	ZINC001130744787	940048401	/nfs/dbraw/zinc/04/84/01/940048401.db2.gz	KZRREAITWFTRFD-GXTWGEPZSA-N	1	0	361.471	1.721	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3cccnc3)n2)O1	ZINC001130774813	940091024	/nfs/dbraw/zinc/09/10/24/940091024.db2.gz	DGXJFZSZPAWNBE-JKSUJKDBSA-N	1	0	370.457	1.444	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cscn3)n2)O1	ZINC001130764961	940094239	/nfs/dbraw/zinc/09/42/39/940094239.db2.gz	ADWSVLQPFKQDFA-WCQYABFASA-N	1	0	362.459	1.577	20	30		FDEDRO
C=CCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCOCC=C)O2)n[nH]1	ZINC001130767186	940099865	/nfs/dbraw/zinc/09/98/65/940099865.db2.gz	BNECZFLUZJKYSI-LSDHHAIUSA-N	1	0	363.462	1.399	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)/C=C\C(C)(C)C)n2)O1	ZINC001130767606	940102227	/nfs/dbraw/zinc/10/22/27/940102227.db2.gz	OKUDSCVBXUZCQS-VUFKQPGHSA-N	1	0	359.474	1.856	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)OCC)n2)O1	ZINC001130767993	940102685	/nfs/dbraw/zinc/10/26/85/940102685.db2.gz	XOTWJWJGNXDSQO-RWMBFGLXSA-N	1	0	371.869	1.408	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H]3CCOC3)n2)O1	ZINC001130769800	940107684	/nfs/dbraw/zinc/10/76/84/940107684.db2.gz	OTRZAHPDBXEACL-SOUVJXGZSA-N	1	0	363.462	1.233	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ocnc3C)n2)O1	ZINC001130772128	940111132	/nfs/dbraw/zinc/11/11/32/940111132.db2.gz	AKASAPFKHXLSAB-QWHCGFSZSA-N	1	0	360.418	1.417	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)CSC)n2)O1	ZINC001130772552	940113012	/nfs/dbraw/zinc/11/30/12/940113012.db2.gz	RLFFLOCYHZHEAB-HZSPNIEDSA-N	1	0	365.503	1.253	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccn(C)c3)n2)O1	ZINC001130772728	940113414	/nfs/dbraw/zinc/11/34/14/940113414.db2.gz	ZEJXZHATPDQFOT-LSDHHAIUSA-N	1	0	358.446	1.459	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCCC4(CC4)C3)n2)O1	ZINC001130785754	940120464	/nfs/dbraw/zinc/12/04/64/940120464.db2.gz	ZNXBEBMYSOBSQE-OWCLPIDISA-N	1	0	371.485	1.834	20	30		FDEDRO
C#CCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC(=C)Cl)O2)n[nH]1	ZINC001130778098	940131039	/nfs/dbraw/zinc/13/10/39/940131039.db2.gz	FTRIXAORINYGLC-UONOGXRCSA-N	1	0	365.865	1.787	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCC)O2)n[nH]1	ZINC001130778124	940131135	/nfs/dbraw/zinc/13/11/35/940131135.db2.gz	GTYZWQLYLUUVJS-IYOUNJFTSA-N	1	0	365.478	1.358	20	30		FDEDRO
C#CCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C[C@H](C)OC)O2)n[nH]1	ZINC001130778437	940132020	/nfs/dbraw/zinc/13/20/20/940132020.db2.gz	XYEHGPFPWKFRTM-SOUVJXGZSA-N	1	0	363.462	1.069	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3[nH]ccc3C)n2)O1	ZINC001130781119	940136590	/nfs/dbraw/zinc/13/65/90/940136590.db2.gz	PEGPQGDCFFEYHN-UONOGXRCSA-N	1	0	356.430	1.204	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H](C)SC)n2)O1	ZINC001130781284	940137203	/nfs/dbraw/zinc/13/72/03/940137203.db2.gz	WXBXYUPFBMBDAI-MELADBBJSA-N	1	0	365.503	1.396	20	30		FDEDRO
C#CCCCNC(=O)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C	ZINC000806911500	940138900	/nfs/dbraw/zinc/13/89/00/940138900.db2.gz	LQULCGQWJKGSKW-HNNXBMFYSA-N	1	0	369.387	1.954	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(C)CCCC3)n2)O1	ZINC001130794040	940144862	/nfs/dbraw/zinc/14/48/62/940144862.db2.gz	JKRYAJOAPWMRRB-LSDHHAIUSA-N	1	0	359.474	1.834	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)CC(F)F)n2)O1	ZINC001130794012	940145107	/nfs/dbraw/zinc/14/51/07/940145107.db2.gz	HSFRPFRCKYSRND-RWMBFGLXSA-N	1	0	369.416	1.545	20	30		FDEDRO
C=CC(C)(C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCOC)O2)n[nH]1	ZINC001130796501	940151507	/nfs/dbraw/zinc/15/15/07/940151507.db2.gz	VFFAWIRXZQOINP-UONOGXRCSA-N	1	0	365.478	1.479	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCC(F)F)n2)O1	ZINC001130792538	940170626	/nfs/dbraw/zinc/17/06/26/940170626.db2.gz	JCSPXGFQVPEVOU-NWDGAFQWSA-N	1	0	357.405	1.852	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccoc3C3CC3)n2)O1	ZINC001130805167	940177686	/nfs/dbraw/zinc/17/76/86/940177686.db2.gz	WDYPZNHQNZXBGZ-DZGCQCFKSA-N	1	0	369.425	1.648	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C(C)C)n[nH]3)n2)O1	ZINC001130806523	940181582	/nfs/dbraw/zinc/18/15/82/940181582.db2.gz	DZERPJMUMGLAEO-SWLSCSKDSA-N	1	0	371.445	1.024	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H]3CC=CCC3)n2)O1	ZINC001130799612	940193410	/nfs/dbraw/zinc/19/34/10/940193410.db2.gz	ONGNIPBCPFCFDV-HRCADAONSA-N	1	0	357.458	1.610	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3cccc(C)c3)n2)O1	ZINC001130802112	940196295	/nfs/dbraw/zinc/19/62/95/940196295.db2.gz	CGIXOKMSDZPRKU-DLBZAZTESA-N	1	0	369.469	1.968	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3c(C)cccc3C)n2)O1	ZINC001130811943	940206741	/nfs/dbraw/zinc/20/67/41/940206741.db2.gz	SXSZFOPZBFTJRU-JKSUJKDBSA-N	1	0	367.453	1.794	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC34CCCC4)n2)O1	ZINC001130813140	940211251	/nfs/dbraw/zinc/21/12/51/940211251.db2.gz	JHFPEBBLBWMFKK-SOUVJXGZSA-N	1	0	357.458	1.444	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H](C)COC)n2)O1	ZINC001130813650	940212156	/nfs/dbraw/zinc/21/21/56/940212156.db2.gz	WBHIACMIKDUSMC-QLFBSQMISA-N	1	0	365.478	1.479	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3c[nH]nc3C3CC3)n2)O1	ZINC001130815825	940216602	/nfs/dbraw/zinc/21/66/02/940216602.db2.gz	BLOYIBWVRXGRGA-GXTWGEPZSA-N	1	0	371.445	1.331	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(OC)cc3)n2)O1	ZINC001130816169	940218179	/nfs/dbraw/zinc/21/81/79/940218179.db2.gz	NHTUAPFBKFEMJS-JKSUJKDBSA-N	1	0	369.425	1.186	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H](C)n3cccc3)n2)O1	ZINC001130817178	940220927	/nfs/dbraw/zinc/22/09/27/940220927.db2.gz	DKLCRANYIVVSBC-HRCADAONSA-N	1	0	370.457	1.317	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCc3ccc(C)o3)n2)O1	ZINC001130819858	940226983	/nfs/dbraw/zinc/22/69/83/940226983.db2.gz	HHTGRWINWVHCAY-JKSUJKDBSA-N	1	0	371.441	1.398	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnc(C)cn2)C[C@H]1c1cncn1C	ZINC001130896203	940293824	/nfs/dbraw/zinc/29/38/24/940293824.db2.gz	WVJGUUHJUMMFBK-NVXWUHKLSA-N	1	0	354.458	1.683	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2C=CCC2)C[C@H]1c1cncn1C	ZINC001130903198	940312032	/nfs/dbraw/zinc/31/20/32/940312032.db2.gz	YKVSQALFXNHHIY-RCCFBDPRSA-N	1	0	356.470	1.310	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2nnn(C)c2C)C[C@H]1c1cncn1C	ZINC001130948546	940346954	/nfs/dbraw/zinc/34/69/54/940346954.db2.gz	PVBSPCJRRPQCIG-HUUCEWRRSA-N	1	0	357.462	1.021	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ocnc2C)C[C@H]1c1cncn1C	ZINC001130948735	940347465	/nfs/dbraw/zinc/34/74/65/940347465.db2.gz	VOQGRRAXBACROG-HUUCEWRRSA-N	1	0	359.430	1.117	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnn(CC)c2)C[C@H]1c1cncn1C	ZINC001130940554	940350776	/nfs/dbraw/zinc/35/07/76/940350776.db2.gz	CLAZGGNNFHNVAX-IAGOWNOFSA-N	1	0	356.474	1.801	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1c1cncn1C	ZINC001130956632	940361542	/nfs/dbraw/zinc/36/15/42/940361542.db2.gz	BKHZLNJKXTVKRA-ARFHVFGLSA-N	1	0	356.474	1.706	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@H]2COC(=O)C2)C[C@H]1c1cncn1C	ZINC001130959278	940364757	/nfs/dbraw/zinc/36/47/57/940364757.db2.gz	IHXVTWFAAHEDJN-BZUAXINKSA-N	1	0	360.458	1.224	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2[nH]ccc2C)C[C@H]1c1cncn1C	ZINC001130972777	940383344	/nfs/dbraw/zinc/38/33/44/940383344.db2.gz	ACYHPQJSWANQNK-HZPDHXFCSA-N	1	0	357.458	1.457	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(OC)no2)C[C@H]1c1cncn1C	ZINC001130964511	940386396	/nfs/dbraw/zinc/38/63/96/940386396.db2.gz	ONMNXUDEANHBLN-ZIAGYGMSSA-N	1	0	359.430	1.581	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCCOC)C1	ZINC001130983653	940399001	/nfs/dbraw/zinc/39/90/01/940399001.db2.gz	XIJDTKIRGHTVLM-GPMSIDNRSA-N	1	0	364.490	1.058	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H](Cc2ccccc2)n2nnnc2C)CC1	ZINC000747404143	940402226	/nfs/dbraw/zinc/40/22/26/940402226.db2.gz	HCNYKVKWGPHKKT-IBGZPJMESA-N	1	0	366.469	1.369	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3cn[nH]c32)C[C@H]1c1cncn1C	ZINC001130994390	940417037	/nfs/dbraw/zinc/41/70/37/940417037.db2.gz	YAFYGMIZAMTPDG-GVDBMIGSSA-N	1	0	366.469	1.171	20	30		FDEDRO
CC[C@H](C[NH2+][C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1c1cncn1C)OC	ZINC001130985417	940422918	/nfs/dbraw/zinc/42/29/18/940422918.db2.gz	ISSSZQYQVJHMGX-BRWVUGGUSA-N	1	0	360.502	1.779	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccn(CC(C)C)n2)C[C@H]1c1cncn1C	ZINC001131003459	940429714	/nfs/dbraw/zinc/42/97/14/940429714.db2.gz	FSJDLOUBJGLGIP-SJLPKXTDSA-N	1	0	368.485	1.494	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CCOC)C1	ZINC001131003832	940430278	/nfs/dbraw/zinc/43/02/78/940430278.db2.gz	RYTZMLOJSNPTIQ-IAGOWNOFSA-N	1	0	358.486	1.556	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)nn2C)C[C@H]1c1cncn1C	ZINC001131006209	940432640	/nfs/dbraw/zinc/43/26/40/940432640.db2.gz	QUDLZSLPIIXJSX-NVXWUHKLSA-N	1	0	366.469	1.252	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2C2CC2)C[C@H]1c1cncn1C	ZINC001130999254	940435768	/nfs/dbraw/zinc/43/57/68/940435768.db2.gz	MLENAUNARLJOCR-NVXWUHKLSA-N	1	0	368.485	1.805	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cncc(OC)c2C)C[C@H]1c1cncn1C	ZINC001131017978	940439200	/nfs/dbraw/zinc/43/92/00/940439200.db2.gz	WDRCLLGCJULBIS-IAGOWNOFSA-N	1	0	369.469	1.906	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2cnccc2C)C[C@H]1c1cncn1C	ZINC001131010631	940441813	/nfs/dbraw/zinc/44/18/13/940441813.db2.gz	WBNJLTJTLYGHCO-QZTJIDSGSA-N	1	0	353.470	1.826	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1c1cncn1C	ZINC001131014552	940447914	/nfs/dbraw/zinc/44/79/14/940447914.db2.gz	AAIVWIWTCHOYHW-FVQBIDKESA-N	1	0	370.457	1.468	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3c2CCCC3)C[C@H]1c1cncn1C	ZINC001131020403	940453060	/nfs/dbraw/zinc/45/30/60/940453060.db2.gz	UJBSZSDJSNLKPD-NVXWUHKLSA-N	1	0	368.485	1.796	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccnnc2C)C[C@H]1c1cncn1C	ZINC001131025779	940458765	/nfs/dbraw/zinc/45/87/65/940458765.db2.gz	BSSARBBIJQMYPS-IAGOWNOFSA-N	1	0	354.458	1.683	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3ncccc3o2)C[C@H]1c1cncn1C	ZINC001131028691	940462972	/nfs/dbraw/zinc/46/29/72/940462972.db2.gz	DAUBHSNYIHPISP-GDBMZVCRSA-N	1	0	363.421	1.782	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)(C)C)on2)C[C@H]1c1cncn1C	ZINC001131028741	940463076	/nfs/dbraw/zinc/46/30/76/940463076.db2.gz	GXXNNDLAFLYJBA-GDBMZVCRSA-N	1	0	369.469	1.927	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(CCC)n[nH]2)C[C@H]1c1cncn1C	ZINC001131040179	940468177	/nfs/dbraw/zinc/46/81/77/940468177.db2.gz	QEWZOQJPTBUOJA-NVXWUHKLSA-N	1	0	354.458	1.317	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c(C)nc[nH]c2=O)C[C@H]1c1cncn1C	ZINC001131051141	940471049	/nfs/dbraw/zinc/47/10/49/940471049.db2.gz	DAOISUYNVAHKBX-HUUCEWRRSA-N	1	0	370.457	1.388	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@@H](C)C(=O)NC)C1	ZINC001131042097	940471463	/nfs/dbraw/zinc/47/14/63/940471463.db2.gz	MGFWVHJOUCBBRC-RRFJBIMHSA-N	1	0	361.490	1.041	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)C=CCC2)C[C@H]1c1cncn1C	ZINC001131046124	940475254	/nfs/dbraw/zinc/47/52/54/940475254.db2.gz	CRLRGUKDAOTWOP-HLIPFELVSA-N	1	0	358.486	1.863	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cncnc2)C[C@H]1c1cncn1C	ZINC001131051335	940476793	/nfs/dbraw/zinc/47/67/93/940476793.db2.gz	IYLSLDSUVIVQRE-CGTJXYLNSA-N	1	0	368.485	1.864	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOCCOC)C1	ZINC001131060137	940478965	/nfs/dbraw/zinc/47/89/65/940478965.db2.gz	WEUQWIIANOHOFM-IAGOWNOFSA-N	1	0	364.490	1.323	20	30		FDEDRO
C=CCn1c(Cc2noc([C@@H]3CC[NH2+][C@H]3CC)n2)nnc1N1CCOCC1	ZINC000822942580	945324595	/nfs/dbraw/zinc/32/45/95/945324595.db2.gz	ZPMKARSLVNGSCT-KGLIPLIRSA-N	1	0	373.461	1.130	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccnc(F)c3)C2)C1=O	ZINC001086655818	940481148	/nfs/dbraw/zinc/48/11/48/940481148.db2.gz	YNRUJZUKSVZQCP-NUEKZKHPSA-N	1	0	360.433	1.496	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@H]1c1cncn1C	ZINC001131079845	940487347	/nfs/dbraw/zinc/48/73/47/940487347.db2.gz	XVWCWEWSAQAGOV-WOJBJXKFSA-N	1	0	362.477	1.742	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3ccccn3c2)C[C@H]1c1cncn1C	ZINC001131082610	940488141	/nfs/dbraw/zinc/48/81/41/940488141.db2.gz	TUGLFLHXIRCRMU-RTBURBONSA-N	1	0	361.449	1.894	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1c1cncn1C	ZINC001131084250	940489307	/nfs/dbraw/zinc/48/93/07/940489307.db2.gz	OMIWEQOOEMJMNO-ARFHVFGLSA-N	1	0	361.490	1.137	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCn2nc(C)cc2C)C[C@H]1c1cncn1C	ZINC001131084524	940489428	/nfs/dbraw/zinc/48/94/28/940489428.db2.gz	XEQKRDIVZNNLOC-QZTJIDSGSA-N	1	0	368.485	1.231	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)nn2C)C[C@H]1c1cncn1C	ZINC001131098450	940492704	/nfs/dbraw/zinc/49/27/04/940492704.db2.gz	FLAYPIOFHALSDE-NVXWUHKLSA-N	1	0	368.485	1.498	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cn(C(C)C)nn2)C[C@H]1c1cncn1C	ZINC001131098825	940492986	/nfs/dbraw/zinc/49/29/86/940492986.db2.gz	LWRBPSAPRPYUPE-HZPDHXFCSA-N	1	0	371.489	1.757	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)nc(C)n2)C[C@H]1c1cncn1C	ZINC001131093784	940496519	/nfs/dbraw/zinc/49/65/19/940496519.db2.gz	JURPIPDVCGCLMF-NVXWUHKLSA-N	1	0	352.442	1.048	20	30		FDEDRO
C[NH+](C)CCN1c2ccccc2C(=NNC(=S)NCC2CCC2)C1=O	ZINC000807968679	940498534	/nfs/dbraw/zinc/49/85/34/940498534.db2.gz	BBUPBUHKZWNRKU-UHFFFAOYSA-N	1	0	359.499	1.563	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2ccccn2)C[C@H]1c1cncn1C	ZINC001131108541	940502877	/nfs/dbraw/zinc/50/28/77/940502877.db2.gz	VFBWIDDTOMSAFI-BRWVUGGUSA-N	1	0	367.453	1.190	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC[C@H](C)F)C2)nc1	ZINC001131110271	940503406	/nfs/dbraw/zinc/50/34/06/940503406.db2.gz	KDDKTFIBOWLVHS-YXJHDRRASA-N	1	0	369.444	1.742	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC=C(C)C)C2)nc1	ZINC001131110269	940503486	/nfs/dbraw/zinc/50/34/86/940503486.db2.gz	KCSHAEHKRROYHL-IEBWSBKVSA-N	1	0	363.465	1.960	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3cccnc3C2)C[C@H]1c1cncn1C	ZINC001131115488	940503595	/nfs/dbraw/zinc/50/35/95/940503595.db2.gz	PKCZMPFDECHJKA-YQVWRLOYSA-N	1	0	363.465	1.137	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccnc(C)n2)C[C@H]1c1cncn1C	ZINC001131125740	940508001	/nfs/dbraw/zinc/50/80/01/940508001.db2.gz	KCRFRSPOALGDPE-NVXWUHKLSA-N	1	0	354.458	1.683	20	30		FDEDRO
C[NH+](C)CCN1C(=O)C(=Nn2cc(Br)cn2)c2ccccc21	ZINC000807978822	940508697	/nfs/dbraw/zinc/50/86/97/940508697.db2.gz	DULIKDKGUMEJAK-UHFFFAOYSA-N	1	0	362.231	1.806	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCn2cc(C)cn2)C[C@H]1c1cncn1C	ZINC001131128204	940509872	/nfs/dbraw/zinc/50/98/72/940509872.db2.gz	WOSSHYGRTNCDEB-QZTJIDSGSA-N	1	0	370.501	1.866	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C[C@H]1c1cncn1C	ZINC001131127970	940509960	/nfs/dbraw/zinc/50/99/60/940509960.db2.gz	OAJLFYAVJQYYGH-ZDRJDWQYSA-N	1	0	361.490	1.041	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCCn2ccnc2)C[C@H]1c1cncn1C	ZINC001131136211	940513333	/nfs/dbraw/zinc/51/33/33/940513333.db2.gz	BHBXQFINUWSKAA-IAGOWNOFSA-N	1	0	354.458	1.004	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2csc(C3CC3)n2)C[C@H]1c1cncn1C	ZINC001131136325	940513365	/nfs/dbraw/zinc/51/33/65/940513365.db2.gz	HJZLXNGKDXLPAM-HUUCEWRRSA-N	1	0	369.494	1.975	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2cn(C)nn2)C[C@H]1c1cncn1C	ZINC001131136389	940513443	/nfs/dbraw/zinc/51/34/43/940513443.db2.gz	LBHSWVPAIFLIIR-IAGOWNOFSA-N	1	0	371.489	1.032	20	30		FDEDRO
CON=Cc1ccc(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)cc1	ZINC000808138396	940521389	/nfs/dbraw/zinc/52/13/89/940521389.db2.gz	NMRGOOXLBBPDKH-KRWDZBQOSA-N	1	0	358.442	1.092	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H](CO)C[NH+]1CCCC1	ZINC000808220109	940529316	/nfs/dbraw/zinc/52/93/16/940529316.db2.gz	XLQKPPBHEGGHHE-INIZCTEOSA-N	1	0	358.442	1.240	20	30		FDEDRO
N#CCOc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2C2CCOCC2)cc1	ZINC001131242049	940537718	/nfs/dbraw/zinc/53/77/18/940537718.db2.gz	AKPQNOWKKPHANM-RBUKOAKNSA-N	1	0	357.454	1.857	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1C1CCOCC1	ZINC001131247518	940542182	/nfs/dbraw/zinc/54/21/82/940542182.db2.gz	OYPYUIGWUIETCZ-BPQIPLTHSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCCOC)C1	ZINC001131301003	940546874	/nfs/dbraw/zinc/54/68/74/940546874.db2.gz	IRCZMXIOYCRZBD-XHSDSOJGSA-N	1	0	351.447	1.095	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCCOC)C1	ZINC001131301181	940546909	/nfs/dbraw/zinc/54/69/09/940546909.db2.gz	NSIALAPAZQCWQJ-ZACQAIPSSA-N	1	0	365.474	1.485	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CSCCC)C1	ZINC001131304852	940548317	/nfs/dbraw/zinc/54/83/17/940548317.db2.gz	VSOVRDNSPICTGU-XHSDSOJGSA-N	1	0	367.515	1.812	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCOCC)C1	ZINC001131307339	940549048	/nfs/dbraw/zinc/54/90/48/940549048.db2.gz	PNMCCHJBRNEJOM-BBWFWOEESA-N	1	0	365.474	1.485	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C(C)(C)COC)C1	ZINC001131309990	940549749	/nfs/dbraw/zinc/54/97/49/940549749.db2.gz	DUGJBLGPRNOYFS-XHSDSOJGSA-N	1	0	365.474	1.341	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCCOC)C[C@H]32)C1	ZINC001131310412	940550262	/nfs/dbraw/zinc/55/02/62/940550262.db2.gz	QRQIDLGEYIYAKI-XHSDSOJGSA-N	1	0	365.474	1.341	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CC(C)C)C[C@H]32)C1	ZINC001131323303	940551876	/nfs/dbraw/zinc/55/18/76/940551876.db2.gz	YFJGOJZLTRMGJI-BBWFWOEESA-N	1	0	365.474	1.341	20	30		FDEDRO
CCc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n1C	ZINC001086668087	940565401	/nfs/dbraw/zinc/56/54/01/940565401.db2.gz	GEILEFQZBOFIIR-GXTWGEPZSA-N	1	0	355.446	1.266	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CSCC#N)CC1	ZINC001131429464	940567276	/nfs/dbraw/zinc/56/72/76/940567276.db2.gz	HMSKTFBVSUUQFY-ZBFHGGJFSA-N	1	0	357.907	1.981	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CCCC2=O)CC1	ZINC001131417127	940567734	/nfs/dbraw/zinc/56/77/34/940567734.db2.gz	WHNLSDCHDJWGQH-XLIONFOSSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCOC2)CC1	ZINC001131441796	940590971	/nfs/dbraw/zinc/59/09/71/940590971.db2.gz	BFCVFGAHNQPRBO-KSZLIROESA-N	1	0	352.475	1.211	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCC2CC2)CC1	ZINC001131431253	940594489	/nfs/dbraw/zinc/59/44/89/940594489.db2.gz	BWJTXGFHYQMCON-QUCCMNQESA-N	1	0	366.502	1.601	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2nccnc2N)CC1	ZINC001131454260	940608208	/nfs/dbraw/zinc/60/82/08/940608208.db2.gz	SNUKBHAJPBJRSM-WBVHZDCISA-N	1	0	359.474	1.624	20	30		FDEDRO
C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cnc(C)o2)CC1	ZINC001131461938	940620591	/nfs/dbraw/zinc/62/05/91/940620591.db2.gz	XTKICANXKHJMMX-MJGOQNOKSA-N	1	0	363.458	1.671	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COC(C)(C)C)CC1	ZINC001131478709	940634877	/nfs/dbraw/zinc/63/48/77/940634877.db2.gz	GOQUIQHCCCWPET-MJGOQNOKSA-N	1	0	368.518	1.990	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](OC)C2CC2)CC1	ZINC001131482975	940638252	/nfs/dbraw/zinc/63/82/52/940638252.db2.gz	IBXMWBCAWCFLGD-QYZOEREBSA-N	1	0	364.486	1.047	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@](C)(O)C=C)CC1	ZINC001131482981	940638306	/nfs/dbraw/zinc/63/83/06/940638306.db2.gz	ILHPPRBXULRIMZ-YZGWKJHDSA-N	1	0	366.502	1.502	20	30		FDEDRO
C#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCn2cccn2)CC1	ZINC001131483243	940638793	/nfs/dbraw/zinc/63/87/93/940638793.db2.gz	VMHBQOAXOQUWNY-QUCCMNQESA-N	1	0	358.486	1.672	20	30		FDEDRO
CCCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C#CC(C)C)CC1	ZINC001131496281	940647442	/nfs/dbraw/zinc/64/74/42/940647442.db2.gz	UEVVMOUECXAYSC-XLIONFOSSA-N	1	0	363.502	1.158	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCC=C)CC1	ZINC001131503150	940653540	/nfs/dbraw/zinc/65/35/40/940653540.db2.gz	UIXCCZLWQMDYEP-QRQLOZEOSA-N	1	0	364.486	1.213	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)NC(=O)CC)CC1	ZINC001131506575	940668452	/nfs/dbraw/zinc/66/84/52/940668452.db2.gz	FIICWNNUNFRMGQ-SUMDDJOVSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2ccn(C)n2)CC1	ZINC001131506590	940668736	/nfs/dbraw/zinc/66/87/36/940668736.db2.gz	GHXBLAYDMUGCOS-QUCCMNQESA-N	1	0	360.502	1.915	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2OCCO[C@H]2C)CC1	ZINC001131515374	940679654	/nfs/dbraw/zinc/67/96/54/940679654.db2.gz	HADVOVKCTZTHRO-NQYYFHDYSA-N	1	0	366.502	1.742	20	30		FDEDRO
CCOC(=O)COc1cc(Cl)c(N[C@H](C)[C@H]2C[NH2+]CCO2)nc1C#N	ZINC001170565232	940680431	/nfs/dbraw/zinc/68/04/31/940680431.db2.gz	ULJNIZUDTLCVEX-QMTHXVAHSA-N	1	0	368.821	1.337	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@]2(CC)CCNC2=O)CC1	ZINC001131515468	940680456	/nfs/dbraw/zinc/68/04/56/940680456.db2.gz	MEECGDFEAMLYDV-UWVAXJGDSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)C(N)=O)CC1	ZINC001131515678	940681292	/nfs/dbraw/zinc/68/12/92/940681292.db2.gz	YBGXXQHCGPPNKM-UAGQMJEPSA-N	1	0	365.518	1.838	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(COC)CCOCC2)CC1	ZINC001131512099	940694278	/nfs/dbraw/zinc/69/42/78/940694278.db2.gz	NFHVLJSLRMGEGS-MSOLQXFVSA-N	1	0	366.502	1.601	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2cc(C)nn2C)CC1	ZINC001131533975	940705117	/nfs/dbraw/zinc/70/51/17/940705117.db2.gz	YTOGEZRROAUXAG-QUCCMNQESA-N	1	0	360.502	1.833	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1	ZINC001131522451	940705580	/nfs/dbraw/zinc/70/55/80/940705580.db2.gz	IHVAIMPFAAJDQW-OWYHZJEWSA-N	1	0	365.518	1.267	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(=O)n(C)c2)CC1	ZINC001131526222	940710610	/nfs/dbraw/zinc/71/06/10/940710610.db2.gz	FZFULMXHPGEXNN-MJGOQNOKSA-N	1	0	357.454	1.008	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn(CCF)c2)CC1	ZINC001131526476	940711396	/nfs/dbraw/zinc/71/13/96/940711396.db2.gz	VIHTWCFDKDYUSF-MSOLQXFVSA-N	1	0	362.449	1.475	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H]2CCCC(=O)N2)CC1	ZINC001131526517	940711508	/nfs/dbraw/zinc/71/15/08/940711508.db2.gz	XKDWTLWFVBOWSZ-HLIPFELVSA-N	1	0	361.486	1.054	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1	ZINC001131538231	940726321	/nfs/dbraw/zinc/72/63/21/940726321.db2.gz	JYIVXUUTFGKMJX-ZIFCJYIRSA-N	1	0	354.491	1.193	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(C(N)=O)CC2)CC1	ZINC001131552247	940728491	/nfs/dbraw/zinc/72/84/91/940728491.db2.gz	HNJZAOWWGFEENJ-OIISXLGYSA-N	1	0	363.502	1.592	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccnc2OC)CC1	ZINC001131555599	940730729	/nfs/dbraw/zinc/73/07/29/940730729.db2.gz	NAPJWEUEWRUUSE-MSOLQXFVSA-N	1	0	357.454	1.713	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NCC)CC1	ZINC001131558383	940732872	/nfs/dbraw/zinc/73/28/72/940732872.db2.gz	YGAIBLRRYGEAPO-KPFFTGBYSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N(C)C)CC1	ZINC001131549999	940738545	/nfs/dbraw/zinc/73/85/45/940738545.db2.gz	JMPZYDVOGWQIQF-VPWXQRGCSA-N	1	0	365.518	1.663	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCc3nn[nH]c32)CC1	ZINC001131550580	940739415	/nfs/dbraw/zinc/73/94/15/940739415.db2.gz	ZHJXVPDVMSGQFO-WDYCEAGBSA-N	1	0	371.485	1.234	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)C(C)C)CC1	ZINC001131572135	940748438	/nfs/dbraw/zinc/74/84/38/940748438.db2.gz	DQQWZFXLENYPCV-WDYCEAGBSA-N	1	0	365.518	1.566	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCC(=O)NCCC)CC1	ZINC001131595214	940778033	/nfs/dbraw/zinc/77/80/33/940778033.db2.gz	SDWAIYBRSLTOKA-XLIONFOSSA-N	1	0	363.502	1.302	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCC(=O)N2C)CC1	ZINC001131601305	940784891	/nfs/dbraw/zinc/78/48/91/940784891.db2.gz	AGHGXNYVRSWNFB-LMMKCTJWSA-N	1	0	361.486	1.006	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)OCCOCC)CC1	ZINC001131607136	940786518	/nfs/dbraw/zinc/78/65/18/940786518.db2.gz	ZCCZYCAUSXKCTM-QRQLOZEOSA-N	1	0	368.518	1.990	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](CC(C)C)C(N)=O)CC1	ZINC001131612889	940792502	/nfs/dbraw/zinc/79/25/02/940792502.db2.gz	QXUNJSHDVIWVOL-ZACQAIPSSA-N	1	0	351.491	1.306	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N1CCC(C[N@@H+](C)CCCC)CC1)[C@@H]1CCCO1	ZINC000809313035	940815823	/nfs/dbraw/zinc/81/58/23/940815823.db2.gz	QAEZNAPGJVSDTA-ROUUACIJSA-N	1	0	363.502	1.254	20	30		FDEDRO
C#C[C@@H](CC)[NH2+]C1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1	ZINC000809686313	940885994	/nfs/dbraw/zinc/88/59/94/940885994.db2.gz	JKNBWCIMXYLTFK-HNNXBMFYSA-N	1	0	363.483	1.800	20	30		FDEDRO
C#CCCCS(=O)(=O)N(C[C@H](O)CC(C)(C)C)C1CC[NH+](C)CC1	ZINC000809843727	940905761	/nfs/dbraw/zinc/90/57/61/940905761.db2.gz	QNXFMMSQZVSWMR-QGZVFWFLSA-N	1	0	358.548	1.923	20	30		FDEDRO
CC(C)n1ncnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1	ZINC001086675887	940923298	/nfs/dbraw/zinc/92/32/98/940923298.db2.gz	BENOIFXJLCIFEN-UONOGXRCSA-N	1	0	355.446	1.747	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@H](CNC(=O)C(F)(F)F)C1	ZINC000810070910	940951842	/nfs/dbraw/zinc/95/18/42/940951842.db2.gz	YHAJZSMSNIJGJF-IUODEOHRSA-N	1	0	362.396	1.431	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cnn(C)c2N)C1	ZINC001086679110	941016885	/nfs/dbraw/zinc/01/68/85/941016885.db2.gz	AWXZNOBBQSEHEW-WDEREUQCSA-N	1	0	356.268	1.399	20	30		FDEDRO
N#Cc1ccc(OCC(=O)O[C@@H]2CCCN(c3cc[nH+]c(N)n3)C2)cc1	ZINC000810772312	941056515	/nfs/dbraw/zinc/05/65/15/941056515.db2.gz	VKLNMQGWOMTYDQ-OAHLLOKOSA-N	1	0	353.382	1.521	20	30		FDEDRO
CC[C@@H](O)CNN=C(C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1	ZINC000811654025	941146811	/nfs/dbraw/zinc/14/68/11/941146811.db2.gz	LJQMKAXUDUOXJX-MRXNPFEDSA-N	1	0	370.519	1.001	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC)nn2)C1	ZINC001086699135	941170451	/nfs/dbraw/zinc/17/04/51/941170451.db2.gz	VUYZEYMYWZQGKF-IDCNUPLLSA-N	1	0	374.485	1.841	20	30		FDEDRO
C#C[C@H](C)N(C)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000812033760	941179582	/nfs/dbraw/zinc/17/95/82/941179582.db2.gz	DOZQKFCJGWDDNU-MAUKXSAKSA-N	1	0	356.470	1.547	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@]34C[C@H]3COC4)C2)cc1C#N	ZINC001086701317	941183405	/nfs/dbraw/zinc/18/34/05/941183405.db2.gz	PBUYELSGFVVVOY-JWVYWZTKSA-N	1	0	369.465	1.978	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](Cn2ncc3cc(C(=O)OC)ccc32)CC1	ZINC000747795623	941233025	/nfs/dbraw/zinc/23/30/25/941233025.db2.gz	DCNPNPJHKOZPNU-UHFFFAOYSA-N	1	0	354.410	1.242	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(=O)N(C)[C@H]2CCCc3ccccc32)CC1	ZINC000747825633	941286014	/nfs/dbraw/zinc/28/60/14/941286014.db2.gz	ZHHCCAAJEGDYKO-FQEVSTJZSA-N	1	0	367.493	1.984	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cccc(OCC(N)=O)c2)C1	ZINC001086711409	941368584	/nfs/dbraw/zinc/36/85/84/941368584.db2.gz	LOJYGNPSCAPRLR-DZGCQCFKSA-N	1	0	365.861	1.791	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)Nc1ccccc1OC	ZINC001134053052	941529884	/nfs/dbraw/zinc/52/98/84/941529884.db2.gz	LVDVDTVZONXDBZ-FMKPAKJESA-N	1	0	361.442	1.319	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(CC(F)(F)F)C(C)C	ZINC001134054428	941531046	/nfs/dbraw/zinc/53/10/46/941531046.db2.gz	JCNIMSJGDIQBAE-OLZOCXBDSA-N	1	0	365.396	1.083	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)COc1cc(C)ccc1C	ZINC001134061928	941540358	/nfs/dbraw/zinc/54/03/58/941540358.db2.gz	KDZMVCKAEFBPLT-KSZLIROESA-N	1	0	362.470	1.340	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCc2cnn(CC)c2)C1	ZINC001086720886	941620672	/nfs/dbraw/zinc/62/06/72/941620672.db2.gz	UAUWRKSRWQGKHE-SXLOBPIMSA-N	1	0	371.529	1.418	20	30		FDEDRO
Cn1cnc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)cc1=O	ZINC001086721251	941645026	/nfs/dbraw/zinc/64/50/26/941645026.db2.gz	NUIFBTWZYAEVLA-DLBZAZTESA-N	1	0	365.437	1.340	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCNC2=O)C1	ZINC001086723805	941695213	/nfs/dbraw/zinc/69/52/13/941695213.db2.gz	WIMICJOEGSZRIP-XQQFMLRXSA-N	1	0	358.280	1.296	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1	ZINC000747981131	941727405	/nfs/dbraw/zinc/72/74/05/941727405.db2.gz	IVPKTVGXLKEZOV-IAGOWNOFSA-N	1	0	362.518	1.525	20	30		FDEDRO
C[NH+](C)CCCNC(=S)NN=C1CC(C)(C)Cc2nc(N)sc21	ZINC000814845612	941730268	/nfs/dbraw/zinc/73/02/68/941730268.db2.gz	PNDMQNJAPBFRHQ-UHFFFAOYSA-N	1	0	354.549	1.818	20	30		FDEDRO
COc1cccc(-c2n[nH]cc2C=NNC(=S)NCCC[NH+](C)C)c1	ZINC000814845309	941730745	/nfs/dbraw/zinc/73/07/45/941730745.db2.gz	JRVWHNDVKFNBPW-UHFFFAOYSA-N	1	0	360.487	1.835	20	30		FDEDRO
C#CC[N@@H+](C)CCCNc1nc2ccccc2nc1N1CCN(C)CC1	ZINC000814928956	941740242	/nfs/dbraw/zinc/74/02/42/941740242.db2.gz	DAVBELMIRHAKIW-UHFFFAOYSA-N	1	0	352.486	1.749	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1cccc(Br)c1C#N	ZINC000815082192	941777811	/nfs/dbraw/zinc/77/78/11/941777811.db2.gz	DJCVMHVFCKUQSZ-UHFFFAOYSA-N	1	0	370.272	1.554	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1cc(C(=O)OC)c(C)cc1F	ZINC000815083434	941778484	/nfs/dbraw/zinc/77/84/84/941778484.db2.gz	YFDJWIPKYJUIHF-UHFFFAOYSA-N	1	0	356.419	1.154	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCC[N@@H+]2CC(=O)NCC#N)C1	ZINC000815204753	941804016	/nfs/dbraw/zinc/80/40/16/941804016.db2.gz	ZLZVJMWWMWQJHO-HUUCEWRRSA-N	1	0	350.463	1.738	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]C[C@H]1COc2ccccc2O1	ZINC001135065154	941882035	/nfs/dbraw/zinc/88/20/35/941882035.db2.gz	WPOPEFOKKOUYHB-BXWFABGCSA-N	1	0	360.454	1.904	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(C)(C)CC	ZINC001135067602	941883352	/nfs/dbraw/zinc/88/33/52/941883352.db2.gz	DBXFDCZGMKLXNO-JYJNAYRXSA-N	1	0	353.507	1.757	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC1CCCCC1	ZINC001135067814	941883730	/nfs/dbraw/zinc/88/37/30/941883730.db2.gz	NOFOQXANBZQDCB-SZMVWBNQSA-N	1	0	365.518	1.901	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]Cc1cc(=O)c(OC)co1	ZINC001135067976	941883986	/nfs/dbraw/zinc/88/39/86/941883986.db2.gz	UVYMEISPDDRLIG-YOEHRIQHSA-N	1	0	350.415	1.226	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCO[C@H]1c1ccc(C)cc1	ZINC001135099452	941904090	/nfs/dbraw/zinc/90/40/90/941904090.db2.gz	UHHBIIYNUPTQAS-QRQLOZEOSA-N	1	0	371.481	1.306	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCCN(CC(C)(C)C)C1=O	ZINC001135142262	941927801	/nfs/dbraw/zinc/92/78/01/941927801.db2.gz	MVTKSXHLJBGFRG-BBWFWOEESA-N	1	0	365.518	1.711	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)Nc1ccccc1F	ZINC001135145257	941929028	/nfs/dbraw/zinc/92/90/28/941929028.db2.gz	FDRYTLHDCVHZGJ-KEYYUXOJSA-N	1	0	363.433	1.840	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CCOCc1ccc(OC)cc1	ZINC001135145441	941929085	/nfs/dbraw/zinc/92/90/85/941929085.db2.gz	IMJGSMQKGROVIA-OALUTQOASA-N	1	0	362.470	1.899	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]Cc1cccc(C(=O)N(C)C)c1	ZINC001135147183	941942305	/nfs/dbraw/zinc/94/23/05/941942305.db2.gz	CSDWBBMOIURBTI-ROUUACIJSA-N	1	0	359.470	1.575	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(-c2nnc(CC)o2)cc1	ZINC000815861734	941997002	/nfs/dbraw/zinc/99/70/02/941997002.db2.gz	XGWULDUDMPAAGA-UHFFFAOYSA-N	1	0	369.425	1.309	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCC(=O)NC3)C2)c1	ZINC001086740732	942181450	/nfs/dbraw/zinc/18/14/50/942181450.db2.gz	NHXCMLRNZWJLQC-OKZBNKHCSA-N	1	0	354.454	1.459	20	30		FDEDRO
CC[N@H+](CCC#N)C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1	ZINC000816483775	942215811	/nfs/dbraw/zinc/21/58/11/942215811.db2.gz	DOVZRJNYMNSUIO-HNNXBMFYSA-N	1	0	352.479	1.985	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ncc(OC)cn2)C1	ZINC001086753340	942310346	/nfs/dbraw/zinc/31/03/46/942310346.db2.gz	JFBBPYAQTMPTBN-NWDGAFQWSA-N	1	0	369.263	1.882	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cncc(-n3ccnn3)c2)C1	ZINC001086766823	942427100	/nfs/dbraw/zinc/42/71/00/942427100.db2.gz	KSOVIHZIKDLOGX-DZGCQCFKSA-N	1	0	360.849	1.903	20	30		FDEDRO
CN1C(=O)CC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1	ZINC001086777910	942454178	/nfs/dbraw/zinc/45/41/78/942454178.db2.gz	OTDFBADSGKRDLQ-ZENOOKHLSA-N	1	0	360.483	1.615	20	30		FDEDRO
C=C1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)CC1	ZINC001086794846	942536671	/nfs/dbraw/zinc/53/66/71/942536671.db2.gz	NMCDLJSPJRQQLF-FUHWJXTLSA-N	1	0	363.502	1.466	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](Cc2ccc(CN3CCOCC3)cc2)CC1	ZINC000817274928	942673122	/nfs/dbraw/zinc/67/31/22/942673122.db2.gz	SUUPSEUMIREVLC-UHFFFAOYSA-N	1	0	355.482	1.480	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C(N)=O)co2)C1	ZINC001086800217	942701423	/nfs/dbraw/zinc/70/14/23/942701423.db2.gz	APSSXYZUKXNFIH-SUMWQHHRSA-N	1	0	366.421	1.938	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C(N)=O)co3)C2)c1	ZINC001086800429	942701867	/nfs/dbraw/zinc/70/18/67/942701867.db2.gz	LXTJOVMQNIXUAT-DOTOQJQBSA-N	1	0	366.421	1.938	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1	ZINC000817445986	942786387	/nfs/dbraw/zinc/78/63/87/942786387.db2.gz	RPURSVKZBJWHOY-CALCHBBNSA-N	1	0	355.482	1.768	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1	ZINC001086806354	942804246	/nfs/dbraw/zinc/80/42/46/942804246.db2.gz	PAIWDAAOYCZRFI-AITUJVMLSA-N	1	0	371.481	1.751	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c1	ZINC000817836806	942998093	/nfs/dbraw/zinc/99/80/93/942998093.db2.gz	OBNFZNOUWJFTHW-LJQANCHMSA-N	1	0	355.482	1.768	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1C#N	ZINC000817838689	943000163	/nfs/dbraw/zinc/00/01/63/943000163.db2.gz	CMLXHHNZYQMFLO-INIZCTEOSA-N	1	0	358.442	1.124	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1	ZINC000817845969	943009261	/nfs/dbraw/zinc/00/92/61/943009261.db2.gz	KXXVOICEUUENSF-LJQANCHMSA-N	1	0	353.466	1.761	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccc(F)cc2)C[C@H]1O	ZINC001195473690	970977174	/nfs/dbraw/zinc/97/71/74/970977174.db2.gz	PXPAVLBOBGEPTQ-IPMKNSEASA-N	1	0	362.445	1.084	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1	ZINC000818593048	943323768	/nfs/dbraw/zinc/32/37/68/943323768.db2.gz	JGRYFDGULNSQNS-AEFFLSMTSA-N	1	0	373.501	1.180	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1cc(Br)cnc1N(C)C	ZINC000818592918	943324156	/nfs/dbraw/zinc/32/41/56/943324156.db2.gz	FQYJQZXKQIGHIR-UHFFFAOYSA-N	1	0	353.264	1.595	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000818592969	943324430	/nfs/dbraw/zinc/32/44/30/943324430.db2.gz	GYQVIRPAYHAAFO-UHFFFAOYSA-N	1	0	360.414	1.116	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000818603022	943328324	/nfs/dbraw/zinc/32/83/24/943328324.db2.gz	LPLKOEDYWKOSBC-OAHLLOKOSA-N	1	0	353.463	1.084	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(CC[NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1	ZINC000818965450	943346443	/nfs/dbraw/zinc/34/64/43/943346443.db2.gz	IIKCOUBMLQRTIO-GOSISDBHSA-N	1	0	374.485	1.734	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(OC)n3)C2)nn1	ZINC001086823141	943384306	/nfs/dbraw/zinc/38/43/06/943384306.db2.gz	OUWGLOKIOUETCI-LSDHHAIUSA-N	1	0	370.457	1.556	20	30		FDEDRO
Cc1nccn1-c1ccc(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)cn1	ZINC000818968119	943386002	/nfs/dbraw/zinc/38/60/02/943386002.db2.gz	LIVWHTMIYYEJLM-SFHVURJKSA-N	1	0	363.421	1.977	20	30		FDEDRO
N#Cc1cccnc1NCC[NH2+]C[C@H](O)COc1cccc2[nH]ccc21	ZINC000818974770	943389707	/nfs/dbraw/zinc/38/97/07/943389707.db2.gz	FHFYASDNPREONI-HNNXBMFYSA-N	1	0	351.410	1.876	20	30		FDEDRO
O=C(NCC[NH2+]C[C@@H](O)COc1ccccc1Cl)C1N=CC=CC1=O	ZINC000819052256	943396403	/nfs/dbraw/zinc/39/64/03/943396403.db2.gz	AUIOSCRNICMXBR-WGKGOADCSA-N	1	0	365.817	1.196	20	30		FDEDRO
Cc1cccc(C)c1OC[C@H](O)C[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000819053322	943396692	/nfs/dbraw/zinc/39/66/92/943396692.db2.gz	ILDOPKGZVFNONG-KIJUOZEOSA-N	1	0	359.426	1.159	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCn2cncn2)C1	ZINC001086825106	943437777	/nfs/dbraw/zinc/43/77/77/943437777.db2.gz	QKUKUIDWNWSGMO-MHORFTMASA-N	1	0	361.490	1.524	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+]C2CN(C(=O)OC)C2)c(OC)c1	ZINC000819178069	943462307	/nfs/dbraw/zinc/46/23/07/943462307.db2.gz	OQLRBELUXONBME-OAHLLOKOSA-N	1	0	350.415	1.204	20	30		FDEDRO
C[C@@H]1[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)CCCN1C(=O)OC(C)(C)C	ZINC000819245004	943481100	/nfs/dbraw/zinc/48/11/00/943481100.db2.gz	YXHKYYXITCZFKL-BZUAXINKSA-N	1	0	354.495	1.570	20	30		FDEDRO
C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1	ZINC000819284499	943502717	/nfs/dbraw/zinc/50/27/17/943502717.db2.gz	RUTVKWBTTCSTQY-LSDHHAIUSA-N	1	0	352.479	1.984	20	30		FDEDRO
C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CN(C)CCC#N)CCN1C(=O)OC(C)(C)C	ZINC000819268788	943520176	/nfs/dbraw/zinc/52/01/76/943520176.db2.gz	UZJOPCHBGNHJDJ-OWCLPIDISA-N	1	0	354.495	1.570	20	30		FDEDRO
C=C[C@@H]1C[C@@]1(Nc1ccc(C(=O)NC2CC[NH+](C)CC2)nn1)C(=O)OCC	ZINC001170925730	943548225	/nfs/dbraw/zinc/54/82/25/943548225.db2.gz	UQDAMFQITPWZTD-YJYMSZOUSA-N	1	0	373.457	1.220	20	30		FDEDRO
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC000856255261	971014907	/nfs/dbraw/zinc/01/49/07/971014907.db2.gz	OARASLBMOKRAQQ-MRXNPFEDSA-N	1	0	368.437	1.922	20	30		FDEDRO
C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1	ZINC001195581067	971050706	/nfs/dbraw/zinc/05/07/06/971050706.db2.gz	MSAMNZQZHPFIBM-GUDVDZBRSA-N	1	0	365.518	1.147	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O	ZINC001195567121	971077072	/nfs/dbraw/zinc/07/70/72/971077072.db2.gz	JNHBPCPPCQZMDJ-MGPQQGTHSA-N	1	0	352.397	1.719	20	30		FDEDRO
CON=C(C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1csc(N)n1	ZINC000821365937	944461251	/nfs/dbraw/zinc/46/12/51/944461251.db2.gz	PDTRVSTXGPMNFR-DOMZBBRYSA-N	1	0	359.455	1.637	20	30		FDEDRO
COC(=O)c1ccc(C(=N)Nc2ccc3c([C@@H]4CCC[NH2+]4)nnn3c2)cc1	ZINC001170985343	944950868	/nfs/dbraw/zinc/95/08/68/944950868.db2.gz	RACXSMLUNSBNGT-HNNXBMFYSA-N	1	0	364.409	1.977	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCS(=O)(=O)C1	ZINC000822525126	945027442	/nfs/dbraw/zinc/02/74/42/945027442.db2.gz	KQIPTIURIHOCHG-NVXWUHKLSA-N	1	0	367.515	1.225	20	30		FDEDRO
C#C[C@H](NC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)C1CCOCC1	ZINC000823185615	945530967	/nfs/dbraw/zinc/53/09/67/945530967.db2.gz	DTKDQUKIEDTSCC-MOPGFXCFSA-N	1	0	362.518	1.226	20	30		FDEDRO
C#CCO[C@H](C)C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1	ZINC000823232340	945585074	/nfs/dbraw/zinc/58/50/74/945585074.db2.gz	RFFSVVCGISJGOG-MRXNPFEDSA-N	1	0	357.454	1.167	20	30		FDEDRO
N#C[C@@H](CCc1ccccc1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC001136743429	945829534	/nfs/dbraw/zinc/82/95/34/945829534.db2.gz	RFEXSBUEYITPFE-UXHICEINSA-N	1	0	370.497	1.282	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C)[NH+]1CCCC1	ZINC001090720848	945968153	/nfs/dbraw/zinc/96/81/53/945968153.db2.gz	FCAVUFRLAILDJB-KYJSFNMBSA-N	1	0	356.474	1.410	20	30		FDEDRO
N#Cc1ccc(OCC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1	ZINC000822833671	946199462	/nfs/dbraw/zinc/19/94/62/946199462.db2.gz	UWLCUYAYMVBHIX-UHFFFAOYSA-N	1	0	360.381	1.555	20	30		FDEDRO
C[NH+](C)CCN1CCC(NC(=O)NCc2cccc(OCC#N)c2)CC1	ZINC000113588808	946237496	/nfs/dbraw/zinc/23/74/96/946237496.db2.gz	QLTLFCZHWRTDDX-UHFFFAOYSA-N	1	0	359.474	1.414	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H]1C	ZINC001573284561	946751025	/nfs/dbraw/zinc/75/10/25/946751025.db2.gz	GIRYAYKMJWPVNG-ZFWWWQNUSA-N	1	0	353.430	1.197	20	30		FDEDRO
C#CCCCC(=O)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1	ZINC001573285347	946776384	/nfs/dbraw/zinc/77/63/84/946776384.db2.gz	WRCVVFCMRKHIFX-UHFFFAOYSA-N	1	0	370.432	1.890	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc(-c2nn[nH]n2)cc1	ZINC000824553880	946794897	/nfs/dbraw/zinc/79/48/97/946794897.db2.gz	JQSWFEGDWKNZRL-ZDUSSCGKSA-N	1	0	352.402	1.173	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN([C@@H](C)C(=O)NCCC(C)C)C[C@H]2O)CC1	ZINC001195876264	971299825	/nfs/dbraw/zinc/29/98/25/971299825.db2.gz	JQXPXKRIIGJLAC-CGTJXYLNSA-N	1	0	365.518	1.445	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)C1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1	ZINC001573560207	946949875	/nfs/dbraw/zinc/94/98/75/946949875.db2.gz	ABGOOMSAZRUILI-PNESKVBLSA-N	1	0	354.418	1.025	20	30		FDEDRO
C=C(C)CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1	ZINC001573293804	946967817	/nfs/dbraw/zinc/96/78/17/946967817.db2.gz	JZKBXSZGLWCYNS-UONOGXRCSA-N	1	0	357.462	1.991	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)C1CC([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573561865	946968936	/nfs/dbraw/zinc/96/89/36/946968936.db2.gz	NZZZMUIBIPERKR-PKSQDBQZSA-N	1	0	357.393	1.244	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CC1	ZINC001573562989	946980847	/nfs/dbraw/zinc/98/08/47/946980847.db2.gz	YJRJROBTODLOSY-BLLLJJGKSA-N	1	0	353.430	1.353	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CC1	ZINC001573562992	946981408	/nfs/dbraw/zinc/98/14/08/946981408.db2.gz	YJRJROBTODLOSY-LRDDRELGSA-N	1	0	353.430	1.353	20	30		FDEDRO
C[C@H](COCC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1C)[NH+]1CCCC1	ZINC001090823058	946981650	/nfs/dbraw/zinc/98/16/50/946981650.db2.gz	QMGHIXSNYMCQHL-GPMSIDNRSA-N	1	0	371.485	1.395	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1	ZINC001573294268	946982525	/nfs/dbraw/zinc/98/25/25/946982525.db2.gz	ZZYLPRQRTDPEGT-BBRMVZONSA-N	1	0	355.446	1.697	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)C1	ZINC001573565406	947007610	/nfs/dbraw/zinc/00/76/10/947007610.db2.gz	QTHOBXBTPNBOPZ-NEPJUHHUSA-N	1	0	359.459	1.368	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@](C)(C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573565549	947010107	/nfs/dbraw/zinc/01/01/07/947010107.db2.gz	RWHOTNYXOXSADM-KZULUSFZSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC2(C[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)CC1	ZINC001573565709	947012559	/nfs/dbraw/zinc/01/25/59/947012559.db2.gz	UUEWNPXBLHNVKL-LBPRGKRZSA-N	1	0	371.470	1.512	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2CN([C@@H](C)C(=O)NC3CCCC3)C[C@H]2O)CCC1	ZINC001195940382	971311516	/nfs/dbraw/zinc/31/15/16/971311516.db2.gz	UFOONSPRGSJZDN-USXIJHARSA-N	1	0	363.502	1.341	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573566402	947025024	/nfs/dbraw/zinc/02/50/24/947025024.db2.gz	CFFVQYFBTVIFSG-BXUZGUMPSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccccc1-c1nn[nH]n1	ZINC001573566720	947029759	/nfs/dbraw/zinc/02/97/59/947029759.db2.gz	GAUJFMDNIOOBGL-DZGCQCFKSA-N	1	0	353.430	1.449	20	30		FDEDRO
C=CCCC1(C(=O)N[C@@H]2C[N@H+](C[C@H](O)Cc3ccccc3)C[C@H]2O)CC1	ZINC001195906306	971316481	/nfs/dbraw/zinc/31/64/81/971316481.db2.gz	WBCDXAJQGKGWMD-GUDVDZBRSA-N	1	0	358.482	1.498	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573296921	947057311	/nfs/dbraw/zinc/05/73/11/947057311.db2.gz	BDURRJMYQWZMDQ-ZDUSSCGKSA-N	1	0	363.853	1.922	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573567890	947058919	/nfs/dbraw/zinc/05/89/19/947058919.db2.gz	UMLGGJMJAQIPEW-WCQYABFASA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@]2(C)C1	ZINC001573570467	947088152	/nfs/dbraw/zinc/08/81/52/947088152.db2.gz	PSRGHJUBRGPKCK-NRXGSXMXSA-N	1	0	365.441	1.307	20	30		FDEDRO
C[C@H](C#N)C(=O)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1	ZINC001573572188	947108064	/nfs/dbraw/zinc/10/80/64/947108064.db2.gz	FKQZHFGISLDCNN-LLVKDONJSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1(C)C	ZINC001573572677	947115614	/nfs/dbraw/zinc/11/56/14/947115614.db2.gz	JIRFPBWPRAESSZ-BBRMVZONSA-N	1	0	367.457	1.743	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H](C)C[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1	ZINC001573300620	947117559	/nfs/dbraw/zinc/11/75/59/947117559.db2.gz	MCINAYKMRNEUBY-STQMWFEESA-N	1	0	357.462	1.899	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1	ZINC001573304564	947139583	/nfs/dbraw/zinc/13/95/83/947139583.db2.gz	BUOMABJCAVETAA-ZIAGYGMSSA-N	1	0	369.473	1.792	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@H]([NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1	ZINC001573576605	947153423	/nfs/dbraw/zinc/15/34/23/947153423.db2.gz	ICUVFXXSJCLQJU-BONVTDFDSA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1	ZINC001573576636	947153944	/nfs/dbraw/zinc/15/39/44/947153944.db2.gz	IMIXLZFPGHCSFW-RYUDHWBXSA-N	1	0	359.459	1.559	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)NC[C@H](CC)Nc1cc(C)[nH+]cc1-c1nn[nH]n1	ZINC001573306263	947170037	/nfs/dbraw/zinc/17/00/37/947170037.db2.gz	JCINUEFBONTSGJ-UGSOOPFHSA-N	1	0	357.462	1.901	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573582705	947193684	/nfs/dbraw/zinc/19/36/84/947193684.db2.gz	GHSCXTSVCGHAAF-STQMWFEESA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@H]1CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573583116	947201683	/nfs/dbraw/zinc/20/16/83/947201683.db2.gz	JSMDAIKCINVXBT-NWDGAFQWSA-N	1	0	357.393	1.104	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1	ZINC001573583834	947211435	/nfs/dbraw/zinc/21/14/35/947211435.db2.gz	PNOAUPTYBDZFQY-ZDUSSCGKSA-N	1	0	353.430	1.355	20	30		FDEDRO
CC(C)[C@@H](CCNC(=O)[C@@H](C)C#N)[NH2+]Cc1ccc(-c2nn[nH]n2)s1	ZINC001573583858	947211671	/nfs/dbraw/zinc/21/16/71/947211671.db2.gz	PWNUCWJRIFRAEO-WCQYABFASA-N	1	0	361.475	1.708	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@H](C)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573310399	947225128	/nfs/dbraw/zinc/22/51/28/947225128.db2.gz	XJQYYDGPBOCWTE-YJYMSZOUSA-N	1	0	370.457	1.130	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573585084	947243185	/nfs/dbraw/zinc/24/31/85/947243185.db2.gz	KDCREHYXFWSMJX-RTXFEEFZSA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@@H](NC(=O)[C@@H](C)C#N)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC001573585098	947247608	/nfs/dbraw/zinc/24/76/08/947247608.db2.gz	KIGQVZGDLRUCRA-UONOGXRCSA-N	1	0	367.457	1.743	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC001573585209	947250462	/nfs/dbraw/zinc/25/04/62/947250462.db2.gz	DAAWIZUVRRIFCX-DAXOMENPSA-N	1	0	353.430	1.543	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1	ZINC001573585425	947257220	/nfs/dbraw/zinc/25/72/20/947257220.db2.gz	FUKVFNILDHHOLC-MRVWCRGKSA-N	1	0	371.420	1.682	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1	ZINC001573585435	947257620	/nfs/dbraw/zinc/25/76/20/947257620.db2.gz	FXEIIJORSODMTI-QEJZJMRPSA-N	1	0	353.430	1.543	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N(CC)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1	ZINC001573315788	947259833	/nfs/dbraw/zinc/25/98/33/947259833.db2.gz	PQFNBKVGLRHUNE-AWEZNQCLSA-N	1	0	357.462	1.855	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573585587	947263996	/nfs/dbraw/zinc/26/39/96/947263996.db2.gz	SOJYIDJLRYIYEQ-MJVIPROJSA-N	1	0	357.393	1.150	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N(C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1	ZINC001573317137	947292309	/nfs/dbraw/zinc/29/23/09/947292309.db2.gz	LOWOOGCKCVQBEK-CXAGYDPISA-N	1	0	369.473	1.935	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC1	ZINC001573587378	947305076	/nfs/dbraw/zinc/30/50/76/947305076.db2.gz	ZTWDCZBMJRBIRB-KCPJHIHWSA-N	1	0	371.420	1.682	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2[NH2+]C[C@H](C)O)cc1	ZINC001090867174	947368174	/nfs/dbraw/zinc/36/81/74/947368174.db2.gz	CTJUMRGLVNIONR-SOVGHPHASA-N	1	0	368.437	1.474	20	30		FDEDRO
C[C@@H]1C[C@H](N(C)CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC[N@@H+]1C	ZINC000266002214	971369900	/nfs/dbraw/zinc/36/99/00/971369900.db2.gz	OHRDIYBRIVJXTI-IIAWOOMASA-N	1	0	367.453	1.926	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1c1ccc(OC)cc1	ZINC001090870854	947415253	/nfs/dbraw/zinc/41/52/53/947415253.db2.gz	PGBFJDFGLIZYMA-RBUKOAKNSA-N	1	0	352.438	1.189	20	30		FDEDRO
C=CCCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1	ZINC001573329025	947415992	/nfs/dbraw/zinc/41/59/92/947415992.db2.gz	GNIJWMXCCYUTBK-SWLSCSKDSA-N	1	0	355.446	1.607	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1	ZINC001573333821	947442943	/nfs/dbraw/zinc/44/29/43/947442943.db2.gz	GCQYLBHPVRJINB-SCLBCKFNSA-N	1	0	357.462	1.991	20	30		FDEDRO
C=CCCCC(=O)N[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O	ZINC001573333906	947443910	/nfs/dbraw/zinc/44/39/10/947443910.db2.gz	HKDRGUITZLEJNY-IRXDYDNUSA-N	1	0	370.457	1.274	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2n[nH]nc2C)C[C@H]1c1ccc(OC)cc1	ZINC001090877544	947536110	/nfs/dbraw/zinc/53/61/10/947536110.db2.gz	VUYAISDDYSJRNC-DLBZAZTESA-N	1	0	355.442	1.896	20	30		FDEDRO
Cn1nccc1[C@@H](O)C1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000856804129	971404069	/nfs/dbraw/zinc/40/40/69/971404069.db2.gz	MKODSUPDIPACGO-XLIONFOSSA-N	1	0	370.453	1.477	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1c1ccc(OC)cc1	ZINC001090876165	947554376	/nfs/dbraw/zinc/55/43/76/947554376.db2.gz	QFEMYPNJZLXLEW-JKSUJKDBSA-N	1	0	367.405	1.218	20	30		FDEDRO
C=CCOCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573343328	947554945	/nfs/dbraw/zinc/55/49/45/947554945.db2.gz	MYZAGFIIEPMAIN-RDJZCZTQSA-N	1	0	370.457	1.444	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1c1ccc(OC)cc1	ZINC001090876860	947563640	/nfs/dbraw/zinc/56/36/40/947563640.db2.gz	FNRYDDIADOXNEX-DLBZAZTESA-N	1	0	370.453	1.908	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(C(C)C)nn2)C[C@H]1c1ccc(OC)cc1	ZINC001090884997	947653679	/nfs/dbraw/zinc/65/36/79/947653679.db2.gz	QTUSTORJPWHFGG-ZWKOTPCHSA-N	1	0	367.453	1.699	20	30		FDEDRO
CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573358128	947657526	/nfs/dbraw/zinc/65/75/26/947657526.db2.gz	FXQVGPMADHJRMB-GOOCMWNKSA-N	1	0	353.430	1.333	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CCCOc3ccccc3)C[C@H]2O)c1	ZINC001196045764	971427060	/nfs/dbraw/zinc/42/70/60/971427060.db2.gz	MLJDYPBZTAPZFJ-WOJBJXKFSA-N	1	0	365.433	1.307	20	30		FDEDRO
CCc1ccccc1[C@@H]([NH3+])CNC(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000844198650	947868389	/nfs/dbraw/zinc/86/83/89/947868389.db2.gz	MIXWRFRFSVJNCN-MJWGMMHASA-N	1	0	356.426	1.282	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N[C@@H]1CN(c2snc(Cl)c2C#N)C[C@H]1OC	ZINC001090912038	947916690	/nfs/dbraw/zinc/91/66/90/947916690.db2.gz	JSXBQYCIKUUQNL-VXGBXAGGSA-N	1	0	371.894	1.330	20	30		FDEDRO
CO[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1	ZINC001090926302	947942282	/nfs/dbraw/zinc/94/22/82/947942282.db2.gz	KVIATMLBQDTAFP-IAGOWNOFSA-N	1	0	371.485	1.538	20	30		FDEDRO
CN(CC(=O)NC1CC[NH+](C2CC2)CC1)C[C@@H](O)c1cccc(C#N)c1	ZINC000844368774	948019089	/nfs/dbraw/zinc/01/90/89/948019089.db2.gz	GVSTUETUJPIVSO-LJQANCHMSA-N	1	0	356.470	1.266	20	30		FDEDRO
C[NH+](C)CCN1CCN(Cc2cc(Cl)ccc2OCC#N)CC1=O	ZINC000844376842	948036755	/nfs/dbraw/zinc/03/67/55/948036755.db2.gz	VKYLRADEDZGUSV-UHFFFAOYSA-N	1	0	350.850	1.448	20	30		FDEDRO
N#Cc1cncc(C[N@H+]2CCC3(C2)CCN(C(=O)c2cnccn2)CC3)c1	ZINC001144075708	948188820	/nfs/dbraw/zinc/18/88/20/948188820.db2.gz	SQUJSZJAKKYOSK-UHFFFAOYSA-N	1	0	362.437	1.872	20	30		FDEDRO
CS(=O)(=O)N1C[C@@H]2C[N@H+](Cc3cncc(C#N)c3)C[C@H]2c2ccccc21	ZINC001144079943	948200484	/nfs/dbraw/zinc/20/04/84/948200484.db2.gz	QFTQIEVQHUVBMF-FUHWJXTLSA-N	1	0	368.462	1.948	20	30		FDEDRO
CN(C)C(=O)NC[C@H]1CCC[C@]2(CC[N@H+](Cc3cncc(C#N)c3)C2)O1	ZINC001144080622	948201994	/nfs/dbraw/zinc/20/19/94/948201994.db2.gz	SNURYEQTYAGCCT-IEBWSBKVSA-N	1	0	357.458	1.738	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCC3(C2)CCN(C(=O)c2cnccn2)CC3)nc1	ZINC001144157561	948300790	/nfs/dbraw/zinc/30/07/90/948300790.db2.gz	OFFOIVVXTJTFIJ-UHFFFAOYSA-N	1	0	362.437	1.872	20	30		FDEDRO
C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@H+](Cc1ccc(C#N)cn1)C2	ZINC001144157704	948300985	/nfs/dbraw/zinc/30/09/85/948300985.db2.gz	UCNJMKPKSUWEND-HXUWFJFHSA-N	1	0	353.470	1.636	20	30		FDEDRO
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(Cc1ccc(C#N)cn1)CCC2	ZINC001144158351	948301903	/nfs/dbraw/zinc/30/19/03/948301903.db2.gz	CGTXATMFYNZBKZ-UHFFFAOYSA-N	1	0	366.469	1.756	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCCC3)C2)nc1	ZINC001144160355	948304536	/nfs/dbraw/zinc/30/45/36/948304536.db2.gz	GWMYIWRHJJSFED-QRQLOZEOSA-N	1	0	354.454	1.803	20	30		FDEDRO
C#CCC[NH+]1CCC(NS(=O)(=O)c2cccc3c2OCCCO3)CC1	ZINC000844830024	948425613	/nfs/dbraw/zinc/42/56/13/948425613.db2.gz	QEUNAVMVPGJAMU-UHFFFAOYSA-N	1	0	364.467	1.614	20	30		FDEDRO
CCc1nc(C#N)cc(N[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C)n1	ZINC001091016621	948448669	/nfs/dbraw/zinc/44/86/69/948448669.db2.gz	GDMPKPZWQNIDSD-UKRRQHHQSA-N	1	0	356.474	1.511	20	30		FDEDRO
C#CCOCCC(=O)Nc1ccc(OCCCN2CC[NH+](C)CC2)cc1	ZINC000844847982	948459622	/nfs/dbraw/zinc/45/96/22/948459622.db2.gz	JKNYQTTXJAWJHX-UHFFFAOYSA-N	1	0	359.470	1.681	20	30		FDEDRO
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NC1CCN(CC[NH+](C)C)CC1	ZINC000844873930	948494757	/nfs/dbraw/zinc/49/47/57/948494757.db2.gz	VTCMXFPBSOCFQV-IBGZPJMESA-N	1	0	373.501	1.259	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)C[C@H](O)c1cccc(C#N)c1	ZINC000844970690	948546251	/nfs/dbraw/zinc/54/62/51/948546251.db2.gz	RCPPWZYDFCKLGD-MSOLQXFVSA-N	1	0	360.458	1.344	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC([NH2+]Cc2cccc(C(N)=O)c2)C1	ZINC001091034837	948560137	/nfs/dbraw/zinc/56/01/37/948560137.db2.gz	WEAGTKPDDRTSIZ-AWRGBYNESA-N	1	0	371.481	1.751	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N1CCO[C@@H]2CN(c3cc(C)ncc3C#N)C[C@@H]21	ZINC001091050502	948658620	/nfs/dbraw/zinc/65/86/20/948658620.db2.gz	FQCJZUYFJKJGNR-ZWKOTPCHSA-N	1	0	357.458	1.020	20	30		FDEDRO
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1	ZINC000845192563	948835076	/nfs/dbraw/zinc/83/50/76/948835076.db2.gz	TZFMSGXLFVEDGH-SFHVURJKSA-N	1	0	356.470	1.036	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)ccc1F	ZINC001196174382	971521150	/nfs/dbraw/zinc/52/11/50/971521150.db2.gz	UREZQPUUONNOQZ-OAHLLOKOSA-N	1	0	367.446	1.619	20	30		FDEDRO
CC(C)(C)C#CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573793757	949307761	/nfs/dbraw/zinc/30/77/61/949307761.db2.gz	YJOLFLQQZCPVED-KRWDZBQOSA-N	1	0	366.469	1.997	20	30		FDEDRO
C=C(C)CONC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	ZINC000845591119	949680942	/nfs/dbraw/zinc/68/09/42/949680942.db2.gz	IZBICEOYHOYRSF-UHFFFAOYSA-N	1	0	352.479	1.518	20	30		FDEDRO
C[N@@H+]1CCC[C@H](c2cccc(C(=O)N3CCN(C(=O)CC#N)CC3)c2)C1	ZINC000857152993	971608125	/nfs/dbraw/zinc/60/81/25/971608125.db2.gz	LVCNQOUAXYGEMR-SFHVURJKSA-N	1	0	354.454	1.694	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C)(C#N)CC1	ZINC000845928393	950200625	/nfs/dbraw/zinc/20/06/25/950200625.db2.gz	MGRQFPXAWLKSKG-CQSZACIVSA-N	1	0	352.479	1.984	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCCC[C@H]1CCNc1cc[nH+]cc1-c1nn[nH]n1	ZINC001570967846	950230532	/nfs/dbraw/zinc/23/05/32/950230532.db2.gz	SPNBGDWUNYIELI-STQMWFEESA-N	1	0	354.418	1.026	20	30		FDEDRO
CN(C[C@@H](O)c1cccc(C#N)c1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1	ZINC000845964481	950303207	/nfs/dbraw/zinc/30/32/07/950303207.db2.gz	SKMLTODWSBZAHY-LJQANCHMSA-N	1	0	373.478	1.974	20	30		FDEDRO
CCC[NH+]1CCN(c2ccccc2C=NN2C(=O)[C@@H](C)N(C)C2=O)CC1	ZINC000857216854	971652907	/nfs/dbraw/zinc/65/29/07/971652907.db2.gz	FEWVODAEBPVKTK-OAHLLOKOSA-N	1	0	357.458	1.835	20	30		FDEDRO
C[C@H]1C(=O)N(N=Cc2c(Cl)cccc2N2CC[NH+](C)CC2)C(=O)N1C	ZINC000857217762	971653630	/nfs/dbraw/zinc/65/36/30/971653630.db2.gz	XAZSMOFUIPGKOS-LBPRGKRZSA-N	1	0	363.849	1.708	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C	ZINC000846059522	950369228	/nfs/dbraw/zinc/36/92/28/950369228.db2.gz	FHKJEAADGNAEQD-OAGGEKHMSA-N	1	0	369.506	1.929	20	30		FDEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)/C=C/C(=O)c1ccccc1)CC2	ZINC001144704735	950483352	/nfs/dbraw/zinc/48/33/52/950483352.db2.gz	AUTXWQHQRIGDCH-CMDGGOBGSA-N	1	0	369.465	1.629	20	30		FDEDRO
C[C@@H](Cc1cccc(C#N)c1)n1nc(C(=O)N2CCOCC2)c2c1C[NH2+]C2	ZINC001171210939	950505031	/nfs/dbraw/zinc/50/50/31/950505031.db2.gz	AIYAYFUYNLBSOQ-AWEZNQCLSA-N	1	0	365.437	1.634	20	30		FDEDRO
C[C@H](CNC(=O)c1cc(C#N)c[nH]1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1	ZINC001574995965	950518872	/nfs/dbraw/zinc/51/88/72/950518872.db2.gz	IVAGLSZNKNFQGP-SNVBAGLBSA-N	1	0	370.442	1.378	20	30		FDEDRO
CN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000846206014	950635478	/nfs/dbraw/zinc/63/54/78/950635478.db2.gz	NUBJAMMFOYBHND-UHFFFAOYSA-N	1	0	362.405	1.611	20	30		FDEDRO
COCCN1CCO[C@H]2C[N@@H+]([C@H](C)Cc3cccc(C#N)c3)CC[C@H]2C1=O	ZINC001171217378	950639945	/nfs/dbraw/zinc/63/99/45/950639945.db2.gz	OZBJHRBRAQBSMH-AHRSYUTCSA-N	1	0	371.481	1.685	20	30		FDEDRO
C[C@H]1CN(C(=O)C#CC2CC2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1	ZINC001576217313	950754741	/nfs/dbraw/zinc/75/47/41/950754741.db2.gz	MEHQMVUCJHIIMI-KBXCAEBGSA-N	1	0	364.453	1.607	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C	ZINC000846269294	950829382	/nfs/dbraw/zinc/82/93/82/950829382.db2.gz	VRTASGFEAMOQKK-ZNMIVQPWSA-N	1	0	355.479	1.539	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1CC[C@H]2CCN(c3cc(C#N)nc(CC)n3)[C@H]2C1	ZINC001091216321	950996819	/nfs/dbraw/zinc/99/68/19/950996819.db2.gz	DLSDQJFFZJZORM-RDJZCZTQSA-N	1	0	370.501	1.680	20	30		FDEDRO
C[N@H+](CC(=O)N1CC[C@H]2CCN(c3nccnc3C#N)[C@H]2C1)CC(C)(C)C	ZINC001091230502	951122576	/nfs/dbraw/zinc/12/25/76/951122576.db2.gz	RDXFQGUVNLHURB-RDJZCZTQSA-N	1	0	370.501	1.753	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3nnc(CC)o3)C[C@H]21	ZINC000961990436	1013109139	/nfs/dbraw/zinc/10/91/39/1013109139.db2.gz	FSCKOLYHJZBGBQ-MIMASFHYSA-N	1	0	360.458	1.550	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1Nc1ncccc1C#N	ZINC001091259379	951234184	/nfs/dbraw/zinc/23/41/84/951234184.db2.gz	QOGHXDVRLCFKIJ-CGTJXYLNSA-N	1	0	371.485	1.761	20	30		FDEDRO
COc1cccc([C@@H](CNc2cnc(-c3nn[nH]n3)c(C#N)n2)[NH+](C)C)c1	ZINC001571017934	951340685	/nfs/dbraw/zinc/34/06/85/951340685.db2.gz	ZZTYTPDFQRQXPZ-CQSZACIVSA-N	1	0	365.401	1.252	20	30		FDEDRO
CN1CCC[C@@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1=O	ZINC000846611835	951375781	/nfs/dbraw/zinc/37/57/81/951375781.db2.gz	HZOZRZMFVLKUCG-SFHVURJKSA-N	1	0	354.454	1.507	20	30		FDEDRO
CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1	ZINC000846659384	951426160	/nfs/dbraw/zinc/42/61/60/951426160.db2.gz	MXJHULSTTUAZIT-RBUKOAKNSA-N	1	0	359.470	1.843	20	30		FDEDRO
N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CCOc2ccc(Br)cc21	ZINC000846676288	951439810	/nfs/dbraw/zinc/43/98/10/951439810.db2.gz	CKHGYPZGWIBRAX-SUZMYJTESA-N	1	0	350.216	1.543	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH+]1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1	ZINC000847013187	951770308	/nfs/dbraw/zinc/77/03/08/951770308.db2.gz	GKUCCJKHVPIRDU-UHFFFAOYSA-N	1	0	366.462	1.331	20	30		FDEDRO
C#C[C@H]1CCC[N@@H+](CC(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)C1	ZINC000847021704	951774958	/nfs/dbraw/zinc/77/49/58/951774958.db2.gz	AYOOKWLHEVSYCY-MSOLQXFVSA-N	1	0	359.514	1.829	20	30		FDEDRO
C[C@H](CNC(=O)c1cc(C#N)c[nH]1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1	ZINC001575093800	951800063	/nfs/dbraw/zinc/80/00/63/951800063.db2.gz	KSDSUBXLTWOWMV-LBPRGKRZSA-N	1	0	364.413	1.222	20	30		FDEDRO
C[C@H](CNC(=O)C#CC(C)(C)C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1	ZINC001575100202	951845132	/nfs/dbraw/zinc/84/51/32/951845132.db2.gz	SAOUPHDDIBZRQC-LBPRGKRZSA-N	1	0	360.487	1.820	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3COCCO3)C[C@H]1C[N@H+](Cc1ccc(C#N)s1)C2	ZINC001091503763	951893459	/nfs/dbraw/zinc/89/34/59/951893459.db2.gz	MWVPEPXRBGXBGS-QBIMZIAESA-N	1	0	361.467	1.315	20	30		FDEDRO
C[C@]12CN(C(=O)CCn3cncn3)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001091491770	951899249	/nfs/dbraw/zinc/89/92/49/951899249.db2.gz	SYRHBUOABHVCKQ-CTNGQTDRSA-N	1	0	363.465	1.500	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)NC(=O)NCC)C1	ZINC001196608294	971785774	/nfs/dbraw/zinc/78/57/74/971785774.db2.gz	BUZWKEMYZQAURW-HUUCEWRRSA-N	1	0	356.511	1.216	20	30		FDEDRO
C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]Cc1cccc(C#N)c1	ZINC001575114008	951950923	/nfs/dbraw/zinc/95/09/23/951950923.db2.gz	KEJWRFDHUGJPMJ-LBPRGKRZSA-N	1	0	364.413	1.222	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC2(C1)CC[N@H+](Cc1cc(-c3nn[nH]n3)ccc1F)C2	ZINC001571061947	951957637	/nfs/dbraw/zinc/95/76/37/951957637.db2.gz	ZNESONFHJLAUOM-GFCCVEGCSA-N	1	0	369.404	1.200	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[C@@H](Nc2ccc(C#N)nc2)C1	ZINC001091579115	952125312	/nfs/dbraw/zinc/12/53/12/952125312.db2.gz	YAHSQORXXAOQTD-IXDOHACOSA-N	1	0	371.485	1.618	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001571084285	952188327	/nfs/dbraw/zinc/18/83/27/952188327.db2.gz	GHSSTKQBNNQWNG-JSGCOSHPSA-N	1	0	371.420	1.446	20	30		FDEDRO
CCc1nc(C#N)cc(N[C@@H]2CC[C@H](CNC(=O)CC[N@@H+](C)CC)C2)n1	ZINC001091600732	952218104	/nfs/dbraw/zinc/21/81/04/952218104.db2.gz	CERDDLPKQUTXRP-LSDHHAIUSA-N	1	0	358.490	1.949	20	30		FDEDRO
C[C@]12CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]1C[N@H+](CCO[C@H]1CC1(F)F)C2	ZINC001091612778	952285565	/nfs/dbraw/zinc/28/55/65/952285565.db2.gz	CZMDRGGRJWSTDA-KMFMINBZSA-N	1	0	364.396	1.704	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@]3(C)C2)C1=O	ZINC001091613249	952306464	/nfs/dbraw/zinc/30/64/64/952306464.db2.gz	PPTHIMGFWOLQJJ-SYNHAJSKSA-N	1	0	367.453	1.067	20	30		FDEDRO
C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1C[N@@H+]([C@@H]1CCN(C3CCC3)C1=O)C2	ZINC001091659253	952518633	/nfs/dbraw/zinc/51/86/33/952518633.db2.gz	IMQODVKSZJJGLF-BLIXFSHQSA-N	1	0	355.482	1.334	20	30		FDEDRO
Cn1ccc(CC(=O)N2C[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@@]3(C)C2)n1	ZINC001091664679	952540997	/nfs/dbraw/zinc/54/09/97/952540997.db2.gz	YNJFOYGJXIDPSK-KNQAVFIVSA-N	1	0	362.477	1.795	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cc(C(F)(F)F)nn3C)C[C@]2(C)C1	ZINC001091698721	952656538	/nfs/dbraw/zinc/65/65/38/952656538.db2.gz	VNVOTJPDUYGCTQ-WBMJQRKESA-N	1	0	354.376	1.856	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C2)C1	ZINC001148277898	952682433	/nfs/dbraw/zinc/68/24/33/952682433.db2.gz	MHKPAGGGWRAKFY-IXDOHACOSA-N	1	0	363.502	1.511	20	30		FDEDRO
CC[NH+](CC)C[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2C#N)CCO1	ZINC001196676663	971862834	/nfs/dbraw/zinc/86/28/34/971862834.db2.gz	UFTFARBRCCJEMG-HNNXBMFYSA-N	1	0	371.890	1.943	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CNC(=O)c4ccccc43)C[C@]2(C)C1	ZINC001091746511	952787073	/nfs/dbraw/zinc/78/70/73/952787073.db2.gz	VDNFISAQXYAIIW-FPDPHYFHSA-N	1	0	351.450	1.317	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@@]2(C)C1	ZINC001091751869	952802311	/nfs/dbraw/zinc/80/23/11/952802311.db2.gz	OWXUWBOCAHFFCY-UFGBVDADSA-N	1	0	368.477	1.622	20	30		FDEDRO
C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3c3ccnn3CC)C[C@]2(C)C1	ZINC001091754518	952815921	/nfs/dbraw/zinc/81/59/21/952815921.db2.gz	SLIHZUZJTRRHGZ-CIWUYKSXSA-N	1	0	356.470	1.394	20	30		FDEDRO
N#Cc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[N@@H+](C2CCOCC2)C1	ZINC001196705063	971870672	/nfs/dbraw/zinc/87/06/72/971870672.db2.gz	ADGDGJWFKKOJIO-AWEZNQCLSA-N	1	0	369.874	1.743	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCc3ccnn3C)C2)cn1	ZINC001086857828	952877101	/nfs/dbraw/zinc/87/71/01/952877101.db2.gz	ZGAACKVRSUNBOK-MAUKXSAKSA-N	1	0	351.454	1.527	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3C3CC3)C2)cn1	ZINC001086857832	952877247	/nfs/dbraw/zinc/87/72/47/952877247.db2.gz	ZGUKKTMTFGDMNX-XJKSGUPXSA-N	1	0	365.441	1.073	20	30		FDEDRO
CC(=O)N1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)C1	ZINC001086864178	952890485	/nfs/dbraw/zinc/89/04/85/952890485.db2.gz	GNXGDOXQSXPNBC-XUVXKRRUSA-N	1	0	368.481	1.801	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccn(C)c(=O)c3)C2)cn1	ZINC001086857353	952904305	/nfs/dbraw/zinc/90/43/05/952904305.db2.gz	ZAOAOAFDVWPOKU-HNAYVOBHSA-N	1	0	364.449	1.450	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(C3CC3)[nH]c2=O)C1	ZINC001196716219	971878875	/nfs/dbraw/zinc/87/88/75/971878875.db2.gz	DEHICUBYUKKAKZ-HZPDHXFCSA-N	1	0	362.474	1.805	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cccn3CC)C2)C1=O	ZINC001086876965	952929149	/nfs/dbraw/zinc/92/91/49/952929149.db2.gz	SPBNYMNXYDBGAE-GVDBMIGSSA-N	1	0	358.486	1.783	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cccn3CC)C2)C1=O	ZINC001086876964	952929267	/nfs/dbraw/zinc/92/92/67/952929267.db2.gz	SPBNYMNXYDBGAE-BBWFWOEESA-N	1	0	358.486	1.783	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccnn2C2CCC2)C[C@H]1c1cnn(C)c1	ZINC001086979004	952991778	/nfs/dbraw/zinc/99/17/78/952991778.db2.gz	DEOHHYSBLVMGIM-DLBZAZTESA-N	1	0	354.458	1.725	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cnn3ccncc23)C[C@H]1c1cnn(C)c1	ZINC001086982380	952994911	/nfs/dbraw/zinc/99/49/11/952994911.db2.gz	GCSQIRJBYDQPRW-DLBZAZTESA-N	1	0	365.441	1.237	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(C)C)nc2)C[C@H]1c1cnn(C)c1	ZINC001086982429	952995341	/nfs/dbraw/zinc/99/53/41/952995341.db2.gz	JGDYISKPZRIAOX-PKOBYXMFSA-N	1	0	351.454	1.770	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3oc(C)nc3c2)C[C@H]1c1cnn(C)c1	ZINC001086983733	952997633	/nfs/dbraw/zinc/99/76/33/952997633.db2.gz	FOBAOXONISPVFW-FUHWJXTLSA-N	1	0	363.421	1.701	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2nncc3ccccc32)C[C@H]1c1cnn(C)c1	ZINC001086987321	953009494	/nfs/dbraw/zinc/00/94/94/953009494.db2.gz	LPOAGNKNQFCJAJ-ZWKOTPCHSA-N	1	0	362.437	1.747	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2conc2C(F)(F)F)C[C@H]1c1cnn(C)c1	ZINC001086987881	953010958	/nfs/dbraw/zinc/01/09/58/953010958.db2.gz	SGSMXMDFFJEZHH-WCQYABFASA-N	1	0	369.347	1.811	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3cc(F)ccc32)C[C@H]1c1cnn(C)c1	ZINC001086988015	953011571	/nfs/dbraw/zinc/01/15/71/953011571.db2.gz	ZHWRXHNINVOMDF-HSALFYBXSA-N	1	0	366.440	1.806	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCC2(F)F)C[C@H]1c1cnn(C)c1	ZINC001086989704	953015322	/nfs/dbraw/zinc/01/53/22/953015322.db2.gz	OWHUPJCORYZCFE-HRCADAONSA-N	1	0	350.413	1.763	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC(C)C)nc2)C[C@H]1c1cnn(C)c1	ZINC001086980992	953031342	/nfs/dbraw/zinc/03/13/42/953031342.db2.gz	IGFQZTYNQQLIMZ-ZWKOTPCHSA-N	1	0	367.453	1.433	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cn2ccc(C)n2)C[C@H]1c1cnn(C)c1	ZINC001086981121	953031915	/nfs/dbraw/zinc/03/19/15/953031915.db2.gz	PZTURYFLXHYSKI-FHLIZLRMSA-N	1	0	356.474	1.331	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2cc(C3CC3)nn2)C[C@H]1c1cnn(C)c1	ZINC001086981790	953034079	/nfs/dbraw/zinc/03/40/79/953034079.db2.gz	DDJIVEPURKLYLZ-FUHWJXTLSA-N	1	0	369.473	1.049	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccnc(OCC)c2)C[C@H]1c1cnn(C)c1	ZINC001086995986	953035346	/nfs/dbraw/zinc/03/53/46/953035346.db2.gz	HYPABLSYFANQOM-DLBZAZTESA-N	1	0	355.442	1.598	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2ccccc2F)C[C@H]1c1cnn(C)c1	ZINC001086996445	953037692	/nfs/dbraw/zinc/03/76/92/953037692.db2.gz	FFPYKYARCMZFOM-ZAAXVRCTSA-N	1	0	368.456	1.955	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@H]1c1cnn(C)c1	ZINC001086997674	953040893	/nfs/dbraw/zinc/04/08/93/953040893.db2.gz	SAXZKOQECUBZIO-ZJPYXAASSA-N	1	0	368.485	1.417	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2nc(C)ncc2Cl)C[C@H]1c1cnn(C)c1	ZINC001087000048	953049025	/nfs/dbraw/zinc/04/90/25/953049025.db2.gz	DJUUFSKHCKLUPF-DZGCQCFKSA-N	1	0	360.849	1.556	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2cn(C)nc2C)C[C@H]1c1cnn(C)c1	ZINC001087000489	953050391	/nfs/dbraw/zinc/05/03/91/953050391.db2.gz	YQYKQZAUVWICOQ-RBUKOAKNSA-N	1	0	370.501	1.555	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C(F)(F)F)n[nH]2)C[C@H]1c1cnn(C)c1	ZINC001087001584	953055775	/nfs/dbraw/zinc/05/57/75/953055775.db2.gz	BIJRGRYCMCXAEU-WCQYABFASA-N	1	0	368.363	1.546	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnc3c(cnn3C)c2)C[C@H]1c1cnn(C)c1	ZINC001087003575	953059868	/nfs/dbraw/zinc/05/98/68/953059868.db2.gz	DFQLDIZYQNXYFD-DLBZAZTESA-N	1	0	365.441	1.086	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCc2scnc2C)C[C@H]1c1cnn(C)c1	ZINC001087004034	953061207	/nfs/dbraw/zinc/06/12/07/953061207.db2.gz	BUWTZENRWHNOFA-JKSUJKDBSA-N	1	0	359.499	1.888	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2csc(Cl)n2)C[C@H]1c1cnn(C)c1	ZINC001087004638	953062744	/nfs/dbraw/zinc/06/27/44/953062744.db2.gz	KRDVXFZGGUOCAS-NWDGAFQWSA-N	1	0	351.863	1.914	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1c1cnn(C)c1	ZINC001086995641	953068189	/nfs/dbraw/zinc/06/81/89/953068189.db2.gz	OFXVWXFCKIRDNL-GVDBMIGSSA-N	1	0	367.925	1.643	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)CSC)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001087022501	953089123	/nfs/dbraw/zinc/08/91/23/953089123.db2.gz	UHQRXJULXNLOGQ-IUODEOHRSA-N	1	0	353.513	1.936	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn3ccccc3n2)C[C@H]1c1cnn(C)c1	ZINC001087007945	953094400	/nfs/dbraw/zinc/09/44/00/953094400.db2.gz	DZRYNHJBSOZWQY-JKSUJKDBSA-N	1	0	350.426	1.452	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c(C)n[nH]c2C)C[C@H]1c1cnn(C)c1	ZINC001087010012	953100157	/nfs/dbraw/zinc/10/01/57/953100157.db2.gz	HZJOKPVZBWKQCG-ZNZDAUKMSA-N	1	0	370.501	1.709	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc(CC(C)C)s2)C[C@H]1c1cnn(C)c1	ZINC001087011650	953104326	/nfs/dbraw/zinc/10/43/26/953104326.db2.gz	IPUDNOZYYZSYAV-JKSUJKDBSA-N	1	0	371.510	1.906	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)cn2)C[C@H]1c1cnn(C)c1	ZINC001087011932	953105729	/nfs/dbraw/zinc/10/57/29/953105729.db2.gz	XQUQTYKFMZOMRB-PKOBYXMFSA-N	1	0	368.485	1.655	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2csc(COC)n2)C[C@H]1c1cnn(C)c1	ZINC001087011941	953105843	/nfs/dbraw/zinc/10/58/43/953105843.db2.gz	YCYWZQLQSMIOJI-UONOGXRCSA-N	1	0	361.471	1.407	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)n(C(C)C)n2)C[C@H]1c1cnn(C)c1	ZINC001087012379	953106847	/nfs/dbraw/zinc/10/68/47/953106847.db2.gz	UOIYENWRWDLDDN-FUHWJXTLSA-N	1	0	354.458	1.337	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccnc2OC(C)C)C[C@H]1c1cnn(C)c1	ZINC001087012846	953107543	/nfs/dbraw/zinc/10/75/43/953107543.db2.gz	RZQPOTSTRWEEIL-ZWKOTPCHSA-N	1	0	367.453	1.433	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001087029085	953119347	/nfs/dbraw/zinc/11/93/47/953119347.db2.gz	HHVQXWDIQUFPRV-CRAIPNDOSA-N	1	0	371.416	1.687	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087030027	953122601	/nfs/dbraw/zinc/12/26/01/953122601.db2.gz	TZFKTVJIGUSCBG-QZTJIDSGSA-N	1	0	353.426	1.548	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1nc(C)sc1C	ZINC001087035523	953145060	/nfs/dbraw/zinc/14/50/60/953145060.db2.gz	CVWYEZYLWONNCA-DJSGYFEHSA-N	1	0	350.488	1.873	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1ncc(Cl)n1C	ZINC001087035552	953145238	/nfs/dbraw/zinc/14/52/38/953145238.db2.gz	DYXOFJGPSFNFQQ-JHJVBQTASA-N	1	0	353.854	1.186	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1ccc(Cl)nc1	ZINC001087035463	953145310	/nfs/dbraw/zinc/14/53/10/953145310.db2.gz	BDXOIGAFZFNJGK-NWANDNLSSA-N	1	0	350.850	1.848	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1cn(C)nc1C(F)F	ZINC001087035813	953146248	/nfs/dbraw/zinc/14/62/48/953146248.db2.gz	NNPXIVJMVWYVCF-OUCADQQQSA-N	1	0	369.416	1.470	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1ncccc1C	ZINC001087040226	953157281	/nfs/dbraw/zinc/15/72/81/953157281.db2.gz	XQARWOGNOKKGCQ-VQIMIIECSA-N	1	0	367.453	1.857	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087044662	953167989	/nfs/dbraw/zinc/16/79/89/953167989.db2.gz	YMDDILOBKPYHLF-IEBWSBKVSA-N	1	0	367.453	1.559	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+][C@H](C)c1nnc(CC)[nH]1	ZINC001087052590	953183972	/nfs/dbraw/zinc/18/39/72/953183972.db2.gz	BTGCWYXGSVLTHR-FVQBIDKESA-N	1	0	359.474	1.295	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCOC2)[C@H](OCC)C1	ZINC001087059681	953202167	/nfs/dbraw/zinc/20/21/67/953202167.db2.gz	PTUQKLXQTZSCLH-YQVWRLOYSA-N	1	0	361.486	1.777	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H](C)c2nnnn2C)[C@H](OCC)C1	ZINC001087071202	953224830	/nfs/dbraw/zinc/22/48/30/953224830.db2.gz	BRPDKSVOYXENLI-RBSFLKMASA-N	1	0	364.494	1.327	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(CC)n2C)[C@H](OCC)C1	ZINC001087072561	953226881	/nfs/dbraw/zinc/22/68/81/953226881.db2.gz	MRPAJBYUWGRFQY-HUUCEWRRSA-N	1	0	363.506	1.543	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCc3ncnn32)[C@H](OCC)C1	ZINC001087072198	953227055	/nfs/dbraw/zinc/22/70/55/953227055.db2.gz	WNHHMVANKZATTR-OWCLPIDISA-N	1	0	361.490	1.431	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3cccnc3)[C@H](OCC)C2)c1	ZINC001087082663	953241364	/nfs/dbraw/zinc/24/13/64/953241364.db2.gz	VFYURQUJFSKKTL-WOJBJXKFSA-N	1	0	364.449	1.725	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccncn2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087092072	953256399	/nfs/dbraw/zinc/25/63/99/953256399.db2.gz	UIROGKCSJKCYJT-IEBWSBKVSA-N	1	0	365.437	1.615	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@]2(C)CCOC2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087094570	953261930	/nfs/dbraw/zinc/26/19/30/953261930.db2.gz	OEBIFJUDZOSEJO-SBHAEUEKSA-N	1	0	371.481	1.938	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087103378	953276448	/nfs/dbraw/zinc/27/64/48/953276448.db2.gz	BEPQQADOEDQDEO-RTBURBONSA-N	1	0	367.453	1.408	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)CS(=O)(=O)C3CCCC3)C[C@]2(C)C1	ZINC001091786378	953304970	/nfs/dbraw/zinc/30/49/70/953304970.db2.gz	DCGNTWLJKZTLNR-QAPCUYQASA-N	1	0	354.516	1.700	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CCN1c1cnc(C#N)cn1	ZINC001091788707	953308605	/nfs/dbraw/zinc/30/86/05/953308605.db2.gz	ZLKHJSGHFOWGBN-DLBZAZTESA-N	1	0	356.474	1.698	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@H]3C[N@@H+]([C@H](C)C(=O)NC)C[C@@]3(C)C2)cc1	ZINC001091793484	953316952	/nfs/dbraw/zinc/31/69/52/953316952.db2.gz	IADZNWHQXZDSCN-CEQIKUNHSA-N	1	0	371.481	1.780	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)CCN1c1ccc(C#N)nn1	ZINC001091806568	953336926	/nfs/dbraw/zinc/33/69/26/953336926.db2.gz	UEIZUZQFQGWPLZ-HRCADAONSA-N	1	0	362.453	1.502	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3CCC(=O)NC3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001091809694	953342999	/nfs/dbraw/zinc/34/29/99/953342999.db2.gz	PXSYAQZRUANZFZ-UEXGIBASSA-N	1	0	366.465	1.365	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(OCC(N)=O)cc3)C[C@]2(C)C1	ZINC001091834467	953386124	/nfs/dbraw/zinc/38/61/24/953386124.db2.gz	QCXBBFDFWUQAFW-UZLBHIALSA-N	1	0	357.454	1.521	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc4c(c3)CCC(=O)N4)C[C@]2(C)C1	ZINC001091839660	953404606	/nfs/dbraw/zinc/40/46/06/953404606.db2.gz	VEMRALRJKGDBRG-UTKZUKDTSA-N	1	0	351.450	1.989	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(Cl)nn(C)c2Cl)C1	ZINC001196836288	971934018	/nfs/dbraw/zinc/93/40/18/971934018.db2.gz	CXQJBGFDFWFJKF-GMTAPVOTSA-N	1	0	361.273	1.857	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3COCCN3CC3CCC3)C[C@]2(C)C1	ZINC001091883722	953521413	/nfs/dbraw/zinc/52/14/13/953521413.db2.gz	TWKPDAWXZUAIKI-SBHAEUEKSA-N	1	0	361.530	1.844	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(-c3nc[nH]n3)n2)C1	ZINC001196845827	971938809	/nfs/dbraw/zinc/93/88/09/971938809.db2.gz	WJZBSPXJQSVGSN-NQBHXWOUSA-N	1	0	362.459	1.058	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1C[C@H]2CCN(c3cc(C)ncc3C#N)C[C@H]2C1	ZINC001091854907	953549250	/nfs/dbraw/zinc/54/92/50/953549250.db2.gz	LJIFSLRTQMFDDD-AEFFLSMTSA-N	1	0	355.486	1.888	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1C[C@H]2CCN(c3ccc(C#N)nc3)C[C@H]2C1	ZINC001091859455	953581331	/nfs/dbraw/zinc/58/13/31/953581331.db2.gz	ICSDSTBGRJPLAX-SJORKVTESA-N	1	0	355.486	1.970	20	30		FDEDRO
C=C(Cl)CN1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@]2(C)C1	ZINC001091867855	953617774	/nfs/dbraw/zinc/61/77/74/953617774.db2.gz	DAWGAYVKUSDMJP-IXUXSNFZSA-N	1	0	365.905	1.382	20	30		FDEDRO
CC[C@H](C(=O)N1C[C@H]2CCN(c3cnc(C#N)cn3)C[C@H]2C1)[NH+](CC)CC	ZINC001091870265	953626109	/nfs/dbraw/zinc/62/61/09/953626109.db2.gz	JMLHXQISDYQDKI-SOLBZPMBSA-N	1	0	370.501	1.753	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+](CC(=O)N(C)C4CC4)C[C@@]3(C)C2)cc1	ZINC001091905474	953673551	/nfs/dbraw/zinc/67/35/51/953673551.db2.gz	GEUSYXNGNYSXCS-GCJKJVERSA-N	1	0	365.477	1.683	20	30		FDEDRO
C[C@]12CN(C(=O)[C@]3(F)CCOC3)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001091951832	953829046	/nfs/dbraw/zinc/82/90/46/953829046.db2.gz	ZUXMYBJCRODAMA-HOJAQTOUSA-N	1	0	357.429	1.967	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(NC(C)=O)CCCC2)C1	ZINC001196860460	971964458	/nfs/dbraw/zinc/96/44/58/971964458.db2.gz	IPTVTVRCGXWLFS-IAGOWNOFSA-N	1	0	353.507	1.567	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)COCC[NH+](C)C)CCN1c1nc(C#N)c(Cl)s1	ZINC001091989967	953896397	/nfs/dbraw/zinc/89/63/97/953896397.db2.gz	NGCPOINDQPLASB-MNOVXSKESA-N	1	0	371.894	1.330	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3C[N@@H+](Cc4cc(C)no4)C[C@@]3(C)C2)c1	ZINC001091997359	953915286	/nfs/dbraw/zinc/91/52/86/953915286.db2.gz	ZPUNAJWKQZQFEI-XLIONFOSSA-N	1	0	350.422	1.953	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)C4CC5(CC5)C4)C[C@]3(C)C2)C1=O	ZINC001092001400	953929746	/nfs/dbraw/zinc/92/97/46/953929746.db2.gz	YEDNMEILDQNESP-HLIPFELVSA-N	1	0	357.498	1.744	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3cccc(C)c3n2)C1	ZINC001196905237	971983439	/nfs/dbraw/zinc/98/34/39/971983439.db2.gz	SRQFGJHKKMXOOX-KBAYOESNSA-N	1	0	356.470	1.701	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@@]2(C)C1	ZINC001092030300	954130335	/nfs/dbraw/zinc/13/03/35/954130335.db2.gz	WTUIYLAHAOJMGZ-WIRSXHRWSA-N	1	0	371.481	1.257	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)CCN1c1ccncc1C#N	ZINC001092061560	954177796	/nfs/dbraw/zinc/17/77/96/954177796.db2.gz	SIMNNSIULABPRZ-WBVHZDCISA-N	1	0	371.485	1.395	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)C[C@]2(C)C1	ZINC001092090474	954251133	/nfs/dbraw/zinc/25/11/33/954251133.db2.gz	SDBXDGVKGOICBR-MLYOOKFZSA-N	1	0	356.470	1.092	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)C[C@@H]3NC(=O)c4ccccc43)C[C@]2(C)C1	ZINC001092117342	954354982	/nfs/dbraw/zinc/35/49/82/954354982.db2.gz	UCLOLUYLZKWNMV-YWMUFLPLSA-N	1	0	351.450	1.665	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C[C@]2(C)C1	ZINC001092125689	954370831	/nfs/dbraw/zinc/37/08/31/954370831.db2.gz	OIVGUCKHSHGLAV-KUHUBIRLSA-N	1	0	360.458	1.485	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)c3cn([C@@H]4CCOC4)nn3)C[C@]2(C)C1	ZINC001092179467	954468019	/nfs/dbraw/zinc/46/80/19/954468019.db2.gz	HNAXIBCDFZCBCC-MDZRGWNJSA-N	1	0	359.474	1.600	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)CCc3nc4cc[nH]cc-4n3)C[C@]2(C)C1	ZINC001092179878	954470923	/nfs/dbraw/zinc/47/09/23/954470923.db2.gz	NUROQIFGETUWDY-QRWLVFNGSA-N	1	0	351.454	1.694	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cc4c([nH]c3=O)CCOC4)C[C@]2(C)C1	ZINC001092186250	954486577	/nfs/dbraw/zinc/48/65/77/954486577.db2.gz	WRFLPYNDKVHGJV-QRWLVFNGSA-N	1	0	355.438	1.277	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@H]2C[N@@H+](Cc3cnn(C)c3)C[C@@]2(C)C1	ZINC001092232232	954577362	/nfs/dbraw/zinc/57/73/62/954577362.db2.gz	CQRJAQBUCGHPQF-IRLDBZIGSA-N	1	0	362.477	1.924	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)CN3Cc4ccccc4C3=O)C[C@]2(C)C1	ZINC001092209956	954615606	/nfs/dbraw/zinc/61/56/06/954615606.db2.gz	ADYGOJJTTMNPFI-UTKZUKDTSA-N	1	0	351.450	1.446	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+](Cc4cc(C)no4)C[C@@]3(C)C2)cn1	ZINC001092211348	954617691	/nfs/dbraw/zinc/61/76/91/954617691.db2.gz	DVIXRMGGMFLTSU-UZLBHIALSA-N	1	0	350.422	1.953	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3nc4nc(C)cc(C)n4n3)C[C@]2(C)C1	ZINC001092249136	954704883	/nfs/dbraw/zinc/70/48/83/954704883.db2.gz	DMYUVPKIPKSUBE-BEFAXECRSA-N	1	0	354.458	1.711	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(=O)C(C)C)C[C@]2(C)C1	ZINC001092298253	954737316	/nfs/dbraw/zinc/73/73/16/954737316.db2.gz	UPMMPUNWURGOPR-LQWHRVPQSA-N	1	0	359.514	1.827	20	30		FDEDRO
Cc1cc(N2C[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)C[C@]3(C)C2)c(C#N)cn1	ZINC001092303671	954762957	/nfs/dbraw/zinc/76/29/57/954762957.db2.gz	MEVTYHUKWJMSCE-XLIONFOSSA-N	1	0	367.497	1.888	20	30		FDEDRO
Cn1cnc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2Nc2ccc(C#N)cn2)c1	ZINC001092312640	954796002	/nfs/dbraw/zinc/79/60/02/954796002.db2.gz	YOWXGTGSDOSGGB-DOTOQJQBSA-N	1	0	367.457	1.045	20	30		FDEDRO
C[C@]12CN(C(=O)Cn3ccnc3)C[C@H]1C[N@H+](Cc1ccc(F)c(C#N)c1)C2	ZINC001092317129	954821232	/nfs/dbraw/zinc/82/12/32/954821232.db2.gz	BFQDEKZQBKJUNP-XLIONFOSSA-N	1	0	367.428	1.874	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H](CNC(=O)C[NH+]3CCCC3)[C@H](C)C2)n1	ZINC001092364382	954915049	/nfs/dbraw/zinc/91/50/49/954915049.db2.gz	KCCNZJGHFWOWLJ-HUUCEWRRSA-N	1	0	356.474	1.195	20	30		FDEDRO
C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)c1nccn12	ZINC001092383720	954981345	/nfs/dbraw/zinc/98/13/45/954981345.db2.gz	MJSAOJHIAQTBEF-NEMWNAMBSA-N	1	0	354.454	1.455	20	30		FDEDRO
Cc1nc(N2C[C@@H](CNC(=O)C[C@@H]3CC[N@H+](C)C3)[C@H](C)C2)ccc1C#N	ZINC001092385001	954983763	/nfs/dbraw/zinc/98/37/63/954983763.db2.gz	PEDYNFYSAQRXGZ-UWWQBHOKSA-N	1	0	355.486	1.792	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1	ZINC001092395053	954998631	/nfs/dbraw/zinc/99/86/31/954998631.db2.gz	QXPMGMKLRXZEPF-NVXWUHKLSA-N	1	0	371.485	1.253	20	30		FDEDRO
C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)c1nccn12	ZINC001092396595	955001760	/nfs/dbraw/zinc/00/17/60/955001760.db2.gz	IVTYWSWODHMKDG-BBWFWOEESA-N	1	0	366.469	1.568	20	30		FDEDRO
C[C@H](C(=O)NC[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C)[NH+]1CCCCCC1	ZINC001092404887	955025780	/nfs/dbraw/zinc/02/57/80/955025780.db2.gz	FCWYUBXYEPXUGF-BRWVUGGUSA-N	1	0	370.501	1.801	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1C	ZINC001092366188	955032189	/nfs/dbraw/zinc/03/21/89/955032189.db2.gz	CZBSENGEJYIULP-SOLBZPMBSA-N	1	0	371.485	1.110	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)c1ccc(=O)[nH]n1	ZINC001092447083	955126382	/nfs/dbraw/zinc/12/63/82/955126382.db2.gz	GVKUOEGPWNZFNF-IUODEOHRSA-N	1	0	369.400	1.691	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3cc(Cl)c[nH]3)[C@H](C)C2)C1=O	ZINC001092461799	955189408	/nfs/dbraw/zinc/18/94/08/955189408.db2.gz	BSVUETMEYVKLOO-XJKCOSOUSA-N	1	0	364.877	1.753	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3ccccc3O)[C@H](C)C2)C1=O	ZINC001092475350	955219504	/nfs/dbraw/zinc/21/95/04/955219504.db2.gz	RIYHYUVQSVOOEA-BFYDXBDKSA-N	1	0	357.454	1.477	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)c1nccnc1N	ZINC001092514580	955297960	/nfs/dbraw/zinc/29/79/60/955297960.db2.gz	OZQRRWVTUDADJC-GDBMZVCRSA-N	1	0	367.428	1.547	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3cncc(C)c3)[C@H](C)C2)C1=O	ZINC001092520776	955309884	/nfs/dbraw/zinc/30/98/84/955309884.db2.gz	QSHVWXPLURLJAZ-NXHRZFHOSA-N	1	0	356.470	1.475	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@H]1CN(C)CCO1	ZINC001092522406	955314958	/nfs/dbraw/zinc/31/49/58/955314958.db2.gz	OQGHGPIAORCPCL-ATZDWAIDSA-N	1	0	356.470	1.073	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C2	ZINC001110133046	955325469	/nfs/dbraw/zinc/32/54/69/955325469.db2.gz	VNJDBQAFRRLNEW-ITWBUVANSA-N	1	0	351.491	1.461	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC001092551074	955400999	/nfs/dbraw/zinc/40/09/99/955400999.db2.gz	IFNNEGFMQNKEQG-ARFHVFGLSA-N	1	0	371.485	1.443	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)N2CCCC[C@@H]2C)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC001092550911	955401262	/nfs/dbraw/zinc/40/12/62/955401262.db2.gz	YEYDUDOHPAGYHO-OWCLPIDISA-N	1	0	371.485	1.585	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001092552033	955408466	/nfs/dbraw/zinc/40/84/66/955408466.db2.gz	VLDYWUOZTAXRHO-KYJSFNMBSA-N	1	0	368.485	1.269	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC001092532462	955498794	/nfs/dbraw/zinc/49/87/94/955498794.db2.gz	WELWKERCTWXEJU-ZMSDIMECSA-N	1	0	371.485	1.443	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)[C@H]1CCNC(=O)C1	ZINC001092535880	955513775	/nfs/dbraw/zinc/51/37/75/955513775.db2.gz	AALYTWWAICUJIN-BPQIPLTHSA-N	1	0	371.456	1.388	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CCNC(=O)C[N@H+](C)C1CCC1	ZINC001092595105	955588353	/nfs/dbraw/zinc/58/83/53/955588353.db2.gz	AJABYOWZHPTSBF-HUUCEWRRSA-N	1	0	356.474	1.411	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)[C@H](C)C1	ZINC001092604997	955643432	/nfs/dbraw/zinc/64/34/32/955643432.db2.gz	SIOKVCUJIHJTOA-KWCYVHTRSA-N	1	0	365.865	1.199	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](CNc2nc(C)cc(C#N)n2)[C@H](C)C1	ZINC001092666199	955952783	/nfs/dbraw/zinc/95/27/83/955952783.db2.gz	VZWQDBNCGNIRCB-UKRRQHHQSA-N	1	0	358.490	1.893	20	30		FDEDRO
CCn1nnc(C)c1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C	ZINC001092674795	955982486	/nfs/dbraw/zinc/98/24/86/955982486.db2.gz	WZDZGVWHACWOGV-RDTXWAMCSA-N	1	0	366.469	1.976	20	30		FDEDRO
CC[NH+](CC)CC(=O)NC[C@]12CCC[C@H]1N(c1cncc(C#N)n1)CC2	ZINC001092698448	956076000	/nfs/dbraw/zinc/07/60/00/956076000.db2.gz	XHRSEVIRRKQHOH-VQIMIIECSA-N	1	0	356.474	1.555	20	30		FDEDRO
C[NH+](C)CCCC(=O)NC[C@]12CCC[C@H]1N(c1ccc(C#N)nn1)CC2	ZINC001092713696	956157086	/nfs/dbraw/zinc/15/70/86/956157086.db2.gz	HVHCBMYDVAHONP-VQIMIIECSA-N	1	0	356.474	1.555	20	30		FDEDRO
C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2cn3c(n2)C[C@@H](OC)CC3)[C@H](C)C1	ZINC001092720512	956178790	/nfs/dbraw/zinc/17/87/90/956178790.db2.gz	MJEOONGVVOAKQE-YUELXQCFSA-N	1	0	366.893	1.895	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2conc2CC)C[C@H]1C	ZINC001092688860	956194771	/nfs/dbraw/zinc/19/47/71/956194771.db2.gz	DHEZKYRBQMPYEA-MDZRGWNJSA-N	1	0	358.486	1.519	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cc(C)ncn2)C[C@H]1C	ZINC001092689326	956195915	/nfs/dbraw/zinc/19/59/15/956195915.db2.gz	IRCPFOCDUMXQFT-SUMDDJOVSA-N	1	0	355.486	1.067	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3[nH]c(C)cc3C)[C@H](C)C2)C1=O	ZINC001092733030	956217974	/nfs/dbraw/zinc/21/79/74/956217974.db2.gz	GQLMKSHXKKPLGZ-OIISXLGYSA-N	1	0	358.486	1.716	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@H]1CCN(C)C(=O)C1	ZINC001092740751	956236934	/nfs/dbraw/zinc/23/69/34/956236934.db2.gz	RBTFFEFECPVMGM-AYOQOUSVSA-N	1	0	368.481	1.611	20	30		FDEDRO
C=CCOc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]2C)cc1	ZINC001092741039	956238031	/nfs/dbraw/zinc/23/80/31/956238031.db2.gz	WRXAYDCDPHWOCF-SZVBFZGTSA-N	1	0	371.481	1.780	20	30		FDEDRO
C=CCOc1ccccc1C(=O)NC[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1C	ZINC001092741116	956238519	/nfs/dbraw/zinc/23/85/19/956238519.db2.gz	XENWHUCSUHAAHV-BFYDXBDKSA-N	1	0	357.454	1.438	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@H]1CCN(C)C(=O)C1	ZINC001092741069	956238796	/nfs/dbraw/zinc/23/87/96/956238796.db2.gz	WXYSYGRXRQPDMW-JTDSTZFVSA-N	1	0	368.481	1.611	20	30		FDEDRO
COc1cnc(C(=O)NC[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2C)nc1	ZINC001092809542	956383075	/nfs/dbraw/zinc/38/30/75/956383075.db2.gz	BKDATCBCRNBDOW-SJLPKXTDSA-N	1	0	364.449	1.835	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)[C@H]1CCNC1=O	ZINC001092885204	956664567	/nfs/dbraw/zinc/66/45/67/956664567.db2.gz	WYUXRAAEFXGJFM-WQVCFCJDSA-N	1	0	358.417	1.018	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)c1c[nH]c(=O)n1C	ZINC001092885628	956667380	/nfs/dbraw/zinc/66/73/80/956667380.db2.gz	ASYKPQRRFGQLBL-IUODEOHRSA-N	1	0	371.416	1.634	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)c2c3n(c(=O)n2C)CCCC3)[C@H](C)C1	ZINC001092967846	957011287	/nfs/dbraw/zinc/01/12/87/957011287.db2.gz	IBNHXYOADWBZJI-HZPDHXFCSA-N	1	0	360.502	1.787	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C	ZINC001092972750	957032290	/nfs/dbraw/zinc/03/22/90/957032290.db2.gz	JTZFMVBPVMPFNS-DQEVTTJGSA-N	1	0	368.481	1.467	20	30		FDEDRO
Cc1nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C3)ccc1C#N	ZINC001093023201	957160047	/nfs/dbraw/zinc/16/00/47/957160047.db2.gz	NVFYDLRZGZBFLP-VXIBKDFQSA-N	1	0	353.470	1.828	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)[C@H](C)C1	ZINC001093043761	957207899	/nfs/dbraw/zinc/20/78/99/957207899.db2.gz	ORCPAIJHQYYMKY-PHXBYCTMSA-N	1	0	368.481	1.308	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cc3n(n2)CCC3)C[C@H]1C	ZINC001093048922	957218726	/nfs/dbraw/zinc/21/87/26/957218726.db2.gz	OUVVHWXJFLPKCZ-YKCBXCCJSA-N	1	0	372.513	1.995	20	30		FDEDRO
Cc1cc(C#N)nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(C[NH+](C)C)CC2)C3)n1	ZINC001093037491	957258356	/nfs/dbraw/zinc/25/83/56/957258356.db2.gz	LUDMZDQTNHROBB-OAGGEKHMSA-N	1	0	354.458	1.224	20	30		FDEDRO
Cc1ccc(C#N)c(N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@@H+](C)C2CCC2)C3)n1	ZINC001093058256	957279793	/nfs/dbraw/zinc/27/97/93/957279793.db2.gz	UHAGIFLPJXOUNQ-KURKYZTESA-N	1	0	353.470	1.972	20	30		FDEDRO
C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1CN(c1ncc(C#N)cc1F)C2	ZINC001093101809	957421965	/nfs/dbraw/zinc/42/19/65/957421965.db2.gz	UMHOYYWUGLCZLP-KXBFYZLASA-N	1	0	359.449	1.909	20	30		FDEDRO
CCn1cc(C(=O)NC[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)nn1	ZINC001093089553	957517049	/nfs/dbraw/zinc/51/70/49/957517049.db2.gz	TWZOAVAPLASMJS-RHSMWYFYSA-N	1	0	352.442	1.668	20	30		FDEDRO
CCn1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)nn1	ZINC001093090238	957523990	/nfs/dbraw/zinc/52/39/90/957523990.db2.gz	VAEAAEPYOWBPMP-RHSMWYFYSA-N	1	0	352.442	1.668	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1CN(c1ccc(C#N)nn1)C2	ZINC001093091789	957537954	/nfs/dbraw/zinc/53/79/54/957537954.db2.gz	OHDSKUIWNHLNKR-KXBFYZLASA-N	1	0	356.474	1.555	20	30		FDEDRO
CC(C)[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2cncc(C#N)n2)C1	ZINC001093113960	957552368	/nfs/dbraw/zinc/55/23/68/957552368.db2.gz	HLNZEWCLHDDILI-CHWSQXEVSA-N	1	0	370.379	1.490	20	30		FDEDRO
C[NH+](C)CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2cnc(C#N)cn2)C1	ZINC001093115621	957557828	/nfs/dbraw/zinc/55/78/28/957557828.db2.gz	KBUNWGZHDYFVCO-CHWSQXEVSA-N	1	0	370.379	1.491	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(OC)nc3)C[C@H]2C)nc1	ZINC001093137689	957630697	/nfs/dbraw/zinc/63/06/97/957630697.db2.gz	HBOYKMKCPDSFHL-CRAIPNDOSA-N	1	0	364.449	1.964	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCn3nc(C)cc3C)C[C@H]2C)nc1	ZINC001093140713	957637669	/nfs/dbraw/zinc/63/76/69/957637669.db2.gz	IEITVVPGPFLVDG-DNVCBOLYSA-N	1	0	365.481	1.874	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)c1ccc(=O)n(C)n1	ZINC001093180268	957689542	/nfs/dbraw/zinc/68/95/42/957689542.db2.gz	CEZSUWRIEPRLLA-RHSMWYFYSA-N	1	0	365.437	1.150	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3ncoc3C)C[C@H]2C)C1=O	ZINC001093270967	957937664	/nfs/dbraw/zinc/93/76/64/957937664.db2.gz	DKCBVTMOKJAFDL-FVQBIDKESA-N	1	0	360.458	1.458	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)C1=O	ZINC001093274063	957944143	/nfs/dbraw/zinc/94/41/43/957944143.db2.gz	KNSUHEZOSLXBPT-IIDMSEBBSA-N	1	0	369.469	1.361	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)C1=O	ZINC001093274467	957944735	/nfs/dbraw/zinc/94/47/35/957944735.db2.gz	PDZJGDIJQPNIBO-BFYDXBDKSA-N	1	0	369.469	1.361	20	30		FDEDRO
C#CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1cccnc1)CCO2	ZINC001093406494	958023239	/nfs/dbraw/zinc/02/32/39/958023239.db2.gz	CKLSTAVAGLKQIM-KYBDOYODSA-N	1	0	353.466	1.948	20	30		FDEDRO
COCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)[C@H]1C(C)C	ZINC001093416538	958038323	/nfs/dbraw/zinc/03/83/23/958038323.db2.gz	PNPDKPOFQFCHRD-UKAVVXHISA-N	1	0	371.481	1.671	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nccnc3N)[C@H]2C(C)C)C[C@H]1O	ZINC001093433332	958059888	/nfs/dbraw/zinc/05/98/88/958059888.db2.gz	CEGINRFWSNMFQP-ZLHSVIROSA-N	1	0	359.474	1.215	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093435775	958065663	/nfs/dbraw/zinc/06/56/63/958065663.db2.gz	VRGNVPVBADNASP-JOCBIADPSA-N	1	0	366.893	1.602	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(c4ccccn4)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093447270	958099077	/nfs/dbraw/zinc/09/90/77/958099077.db2.gz	UJWYJSACZSTBJW-PLOVASNDSA-N	1	0	367.493	1.713	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nn(C)cc3Cl)[C@H]2C(C)C)C[C@H]1O	ZINC001093447646	958101466	/nfs/dbraw/zinc/10/14/66/958101466.db2.gz	XUZVDWQLEKNXGK-DEICHXMPSA-N	1	0	364.877	1.286	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nn(C)cc3Cl)[C@@H]2C(C)C)C[C@H]1O	ZINC001093447648	958101505	/nfs/dbraw/zinc/10/15/05/958101505.db2.gz	XUZVDWQLEKNXGK-SZXPJGKVSA-N	1	0	364.877	1.286	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc4n[nH]nc4n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093450507	958125320	/nfs/dbraw/zinc/12/53/20/958125320.db2.gz	VHPPLKOUASKSQB-NNFUDEMPSA-N	1	0	370.457	1.119	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccn3CC=C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093450929	958129823	/nfs/dbraw/zinc/12/98/23/958129823.db2.gz	PUGXGFZJMHLJSO-XLBJILASSA-N	1	0	355.482	1.887	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cn(C)nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093451770	958135202	/nfs/dbraw/zinc/13/52/02/958135202.db2.gz	YAPBYELZLZYTAF-HNBVOPMISA-N	1	0	360.502	1.423	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(CCF)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452101	958138322	/nfs/dbraw/zinc/13/83/22/958138322.db2.gz	CRBFEQAGAAZOPQ-YWTNHNAXSA-N	1	0	362.449	1.066	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(CCF)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452098	958138392	/nfs/dbraw/zinc/13/83/92/958138392.db2.gz	CRBFEQAGAAZOPQ-MTNOOBJLSA-N	1	0	362.449	1.066	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001093460066	958186032	/nfs/dbraw/zinc/18/60/32/958186032.db2.gz	OVEKNVHNURPUEX-WOCWXWTJSA-N	1	0	362.518	1.350	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccn4ccnc34)[C@H]2C(C)C)C[C@H]1O	ZINC001093467197	958213735	/nfs/dbraw/zinc/21/37/35/958213735.db2.gz	ROQIMQMPZYQXMF-DCXXXQMHSA-N	1	0	366.465	1.547	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3ncccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093469239	958221181	/nfs/dbraw/zinc/22/11/81/958221181.db2.gz	FJFGAOHIQKBRHD-YAJHFMINSA-N	1	0	356.470	1.009	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C(C)C)nn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093469541	958222299	/nfs/dbraw/zinc/22/22/99/958222299.db2.gz	HHCDZRTWDVBBOT-MYZZLAAOSA-N	1	0	359.474	1.072	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncc(Cl)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093469563	958222363	/nfs/dbraw/zinc/22/23/63/958222363.db2.gz	HREBOCQCLIBLFZ-YWTNHNAXSA-N	1	0	361.873	1.948	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3coc(COC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093470117	958225937	/nfs/dbraw/zinc/22/59/37/958225937.db2.gz	PPBLAVMXANFTIV-VWMOJTHMSA-N	1	0	361.442	1.034	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn4ccccc4n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093472925	958241961	/nfs/dbraw/zinc/24/19/61/958241961.db2.gz	LUGILVRFEHGYFT-DOSUHQCWSA-N	1	0	366.465	1.547	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3onc4c3CCCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452592	958258282	/nfs/dbraw/zinc/25/82/82/958258282.db2.gz	LGPYECYBNWCSAA-VGUOSERISA-N	1	0	371.481	1.766	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(C)c3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093453611	958262703	/nfs/dbraw/zinc/26/27/03/958262703.db2.gz	WXAUXWGBJZOQHU-UIXUWTQFSA-N	1	0	360.502	1.748	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)cncc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093454834	958270592	/nfs/dbraw/zinc/27/05/92/958270592.db2.gz	CFJSHMJYTWSXMW-VGUOSERISA-N	1	0	355.482	1.911	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)cnn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093455019	958270724	/nfs/dbraw/zinc/27/07/24/958270724.db2.gz	JDOSGLLXRUEULR-CIWUYKSXSA-N	1	0	360.502	1.884	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3coc(OC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093456011	958275409	/nfs/dbraw/zinc/27/54/09/958275409.db2.gz	TVRHBXNRUKBMLB-RGPZOAQRSA-N	1	0	363.458	1.839	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnc(OC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093456933	958278353	/nfs/dbraw/zinc/27/83/53/958278353.db2.gz	HFGBZZJHVFDLKT-OAFZBRQQSA-N	1	0	360.458	1.251	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncc(C)cc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093459216	958287636	/nfs/dbraw/zinc/28/76/36/958287636.db2.gz	RZMBVRPRASXFFO-PLOVASNDSA-N	1	0	355.482	1.911	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nn(CC)nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093479063	958295951	/nfs/dbraw/zinc/29/59/51/958295951.db2.gz	GREDEEBYBDNBRC-IIHSZXCVSA-N	1	0	361.490	1.372	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccc(C)nc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093480465	958302832	/nfs/dbraw/zinc/30/28/32/958302832.db2.gz	KCEYLLKYNBDTSW-UKAVVXHISA-N	1	0	355.482	1.532	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C3=COCCO3)C[C@H]2C)cc1C#N	ZINC001093621523	958353474	/nfs/dbraw/zinc/35/34/74/958353474.db2.gz	RQTPVBMWUZVNIW-RHSMWYFYSA-N	1	0	371.437	1.639	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093623266	958356841	/nfs/dbraw/zinc/35/68/41/958356841.db2.gz	SSGIQRXKSZBQFQ-DNVCBOLYSA-N	1	0	350.422	1.690	20	30		FDEDRO
C[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093628905	958385900	/nfs/dbraw/zinc/38/59/00/958385900.db2.gz	OQEKHGMZQJWEOS-CRAIPNDOSA-N	1	0	354.454	1.365	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2nc(CC(F)(F)F)no2)[C@H](C)C1	ZINC001093673021	958514341	/nfs/dbraw/zinc/51/43/41/958514341.db2.gz	ILTIRWNQPAFGLA-HBNTYKKESA-N	1	0	359.352	1.518	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2cc(C(F)(F)F)n(C)n2)[C@H](C)C1	ZINC001093679464	958533130	/nfs/dbraw/zinc/53/31/30/958533130.db2.gz	UYPALPBNKSEPCV-IJLUTSLNSA-N	1	0	357.380	1.783	20	30		FDEDRO
CC(C)Cn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC001093699698	958565594	/nfs/dbraw/zinc/56/55/94/958565594.db2.gz	HGQDDQALIYOXPZ-GDBMZVCRSA-N	1	0	369.473	1.632	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1nn(C)cc1Cl	ZINC001093699832	958566923	/nfs/dbraw/zinc/56/69/23/958566923.db2.gz	KWGQKNZMPOEUFG-DGCLKSJQSA-N	1	0	360.849	1.771	20	30		FDEDRO
C#C[C@@H](NCC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CCCO1	ZINC000775783745	972358736	/nfs/dbraw/zinc/35/87/36/972358736.db2.gz	CZVAPZFMRAWQOR-RTBURBONSA-N	1	0	369.465	1.309	20	30		FDEDRO
COc1cncc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)n1	ZINC001093722593	958599746	/nfs/dbraw/zinc/59/97/46/958599746.db2.gz	RINPLHQDGANYMH-CHWSQXEVSA-N	1	0	354.414	1.183	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1nnc(C2CC2)o1	ZINC001093726387	958612830	/nfs/dbraw/zinc/61/28/30/958612830.db2.gz	UTZMXWGRZDBOMP-BXUZGUMPSA-N	1	0	354.414	1.645	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC2OCCCO2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093734613	958637283	/nfs/dbraw/zinc/63/72/83/958637283.db2.gz	IMHCYXCWTBKWIK-CRAIPNDOSA-N	1	0	357.454	1.895	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC2OCCCO2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093734606	958637572	/nfs/dbraw/zinc/63/75/72/958637572.db2.gz	IDAFJBFMTUMLTH-CRAIPNDOSA-N	1	0	357.454	1.895	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)/C=C/c3ccc[nH]3)C[C@H]2C)C1=O	ZINC001093736638	958644075	/nfs/dbraw/zinc/64/40/75/958644075.db2.gz	ZYFYJYMKHQUACV-LZYNDVPASA-N	1	0	356.470	1.499	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+][C@@H]1CCN(c2ccccc2)C1=O	ZINC001093762206	958700514	/nfs/dbraw/zinc/70/05/14/958700514.db2.gz	WZZNRRNHDZIBJT-YVWKXTFCSA-N	1	0	365.477	1.889	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)Cc3ccncc3C)C[C@H]2C)C1=O	ZINC001093771359	958732608	/nfs/dbraw/zinc/73/26/08/958732608.db2.gz	IPAQUPSTTVFZLB-BHIYHBOVSA-N	1	0	370.497	1.404	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+][C@H]2CCN(CC=C)C2=O)[C@H](C)C1	ZINC001093824642	958903452	/nfs/dbraw/zinc/90/34/52/958903452.db2.gz	BACZUZMVAHIKGR-KURKYZTESA-N	1	0	370.497	1.759	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1	ZINC001093833148	958928223	/nfs/dbraw/zinc/92/82/23/958928223.db2.gz	USUFNVFEZBAKQE-MDZRGWNJSA-N	1	0	370.522	1.901	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nccc(C)n2)[C@H](C)C1	ZINC001093833212	958928760	/nfs/dbraw/zinc/92/87/60/958928760.db2.gz	YWTXSCPMYXRKOP-NXHRZFHOSA-N	1	0	355.486	1.067	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](C[NH2+]Cc2cc(C#N)ccc2F)[C@H](C)C1	ZINC001093842917	958958833	/nfs/dbraw/zinc/95/88/33/958958833.db2.gz	OKKDECOKMOHVAI-IAQYHMDHSA-N	1	0	371.416	1.932	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2	ZINC001110149728	958993475	/nfs/dbraw/zinc/99/34/75/958993475.db2.gz	XDOJMVJYYGZCCN-BDXSIMOUSA-N	1	0	362.518	1.275	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1)S(C)(=O)=O	ZINC001093867626	959047036	/nfs/dbraw/zinc/04/70/36/959047036.db2.gz	WDZVJDSYLHYCBA-JKIFEVAISA-N	1	0	363.483	1.175	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCN(C)C(=O)C2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093869396	959051801	/nfs/dbraw/zinc/05/18/01/959051801.db2.gz	XBQNJCGIOWCQCH-AYOQOUSVSA-N	1	0	368.481	1.611	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C[NH2+][C@H]2CCN(C)C2=O)[C@H](C)C1	ZINC001093870601	959055756	/nfs/dbraw/zinc/05/57/56/959055756.db2.gz	YZXYXOCCRRNUQM-NUJGCVRESA-N	1	0	371.481	1.780	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCCC(=O)N2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093905223	959285663	/nfs/dbraw/zinc/28/56/63/959285663.db2.gz	VPRUWYGMJLVUQD-LZQZEXGQSA-N	1	0	368.481	1.801	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nc(N(C)C)no3)[C@H](C)C2)cc1	ZINC001093959245	959358550	/nfs/dbraw/zinc/35/85/50/959358550.db2.gz	TUXAVSCEWFRTDH-RHSMWYFYSA-N	1	0	367.453	1.615	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001094021963	959539826	/nfs/dbraw/zinc/53/98/26/959539826.db2.gz	OWPYHJLXZBPNBX-VFVRVIDISA-N	1	0	360.483	1.473	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C(N)=O)c2)[C@H](C)C1	ZINC001094055155	959645584	/nfs/dbraw/zinc/64/55/84/959645584.db2.gz	LNERKMXFHVGMAP-AXUOBQJMSA-N	1	0	371.481	1.561	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001094055221	959645597	/nfs/dbraw/zinc/64/55/97/959645597.db2.gz	NJHODAIICMOJAS-CZUORRHYSA-N	1	0	370.432	1.632	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cn(C(C)C)nn2)[C@H](C)C1	ZINC001094055298	959647908	/nfs/dbraw/zinc/64/79/08/959647908.db2.gz	RQCDZTLKVZYGIB-AHCXZYCDSA-N	1	0	361.490	1.634	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3cc(C)[nH]c3C)C[C@H]2C)C1=O	ZINC001094075265	959704435	/nfs/dbraw/zinc/70/44/35/959704435.db2.gz	WFNSARUQFXBZMV-QBIMZIAESA-N	1	0	358.486	1.716	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)o2)[C@H](C)C1	ZINC001094098611	959779147	/nfs/dbraw/zinc/77/91/47/959779147.db2.gz	JHOIAJAUCPRMBL-KBEGMRNHSA-N	1	0	362.474	1.933	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)c3cnccn3)[C@H](C)C2)nn1	ZINC001094100013	959784205	/nfs/dbraw/zinc/78/42/05/959784205.db2.gz	WJCDZQCXDACKGU-OWCLPIDISA-N	1	0	369.473	1.703	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nnc(C(C)C)[nH]3)[C@H](C)C2)nc1	ZINC001094172367	959970423	/nfs/dbraw/zinc/97/04/23/959970423.db2.gz	OXLUMDZJESOFBP-GDBMZVCRSA-N	1	0	366.469	1.802	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ncnn3CCF)[C@H](C)C2)cn1	ZINC001094175039	959979920	/nfs/dbraw/zinc/97/99/20/959979920.db2.gz	YSFNAJDSGIPPJP-GDBMZVCRSA-N	1	0	370.432	1.122	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001094175912	959980950	/nfs/dbraw/zinc/98/09/50/959980950.db2.gz	BUAYJZDISNJDCQ-VMGRFDJRSA-N	1	0	358.417	1.160	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](C)c3nnc(C)o3)[C@H](C)C2)cn1	ZINC001094176783	959983370	/nfs/dbraw/zinc/98/33/70/959983370.db2.gz	XEBKAGFGTVAGTB-XJKCOSOUSA-N	1	0	353.426	1.813	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(=O)N(C)C)cc2)C1	ZINC001197849826	972473814	/nfs/dbraw/zinc/47/38/14/972473814.db2.gz	CPVOBDRGVSGEFZ-ZTFGCOKTSA-N	1	0	359.470	1.518	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]Cc2cn(C)nn2)[C@H](C)C1	ZINC001094188284	960069090	/nfs/dbraw/zinc/06/90/90/960069090.db2.gz	MHDDTZPISREVEL-CRAIPNDOSA-N	1	0	351.454	1.223	20	30		FDEDRO
CCN1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cccc(C#N)c3)[C@H](C)C2)C1	ZINC001094232093	960137648	/nfs/dbraw/zinc/13/76/48/960137648.db2.gz	MIJYZBRCVRCMSW-AHRSYUTCSA-N	1	0	370.497	1.463	20	30		FDEDRO
C=C[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2cn(C)nn2)[C@H](C)C1)c1ccccc1	ZINC001094236857	960148703	/nfs/dbraw/zinc/14/87/03/960148703.db2.gz	TYYDPURGHAJNSV-SUMDDJOVSA-N	1	0	353.470	1.969	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001094244929	960174648	/nfs/dbraw/zinc/17/46/48/960174648.db2.gz	CRRHYQHCRREOGF-RHSMWYFYSA-N	1	0	367.453	1.093	20	30		FDEDRO
C#C[C@@H](NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1)[C@H]1CCCO1	ZINC000773270884	960218836	/nfs/dbraw/zinc/21/88/36/960218836.db2.gz	AFUWPOHHOSHMHG-RTBURBONSA-N	1	0	359.470	1.997	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCc1cn(C2C[NH+](CCC3CC3)C2)nn1	ZINC001094291248	960254682	/nfs/dbraw/zinc/25/46/82/960254682.db2.gz	MWPAYSQPCVZBIJ-MSOLQXFVSA-N	1	0	359.474	1.532	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@]3(CNC(=O)c4cnccn4)CCC[C@@H]23)C1=O	ZINC001094354333	960300439	/nfs/dbraw/zinc/30/04/39/960300439.db2.gz	QKWBLJHPNDJCGU-MBOZVWFJSA-N	1	0	369.469	1.238	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCn2cccn2)CC3)c[nH]1	ZINC001094397138	960347282	/nfs/dbraw/zinc/34/72/82/960347282.db2.gz	MMRJOAXNUBZVBE-IEBWSBKVSA-N	1	0	352.442	1.757	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc4c3oc(=O)n4C)CCC[C@@H]12	ZINC001094433901	960447578	/nfs/dbraw/zinc/44/75/78/960447578.db2.gz	IDJUBWYYXPMIDG-OXQOHEQNSA-N	1	0	353.422	1.739	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CNC(=O)c4ccccc43)CCC[C@@H]12	ZINC001094433715	960448474	/nfs/dbraw/zinc/44/84/74/960448474.db2.gz	ZKZLEIGKIWZSFS-WOIUINJBSA-N	1	0	365.477	1.898	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnn(C)c1)CC2	ZINC001094436813	960481353	/nfs/dbraw/zinc/48/13/53/960481353.db2.gz	JVZVIUQUVRHIQU-QKNQBKEWSA-N	1	0	369.513	1.379	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4nncn4CC3)CCC[C@@H]12	ZINC001094472017	960637537	/nfs/dbraw/zinc/63/75/37/960637537.db2.gz	XSBHAVZFEYZTOO-SQGPQFPESA-N	1	0	355.486	1.615	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3COCCN3CC(F)F)CCC[C@@H]12	ZINC001094478624	960656042	/nfs/dbraw/zinc/65/60/42/960656042.db2.gz	XSAZSXHLBZEZBE-FRQCXROJSA-N	1	0	369.456	1.336	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@]3(CNC(=O)c4cnco4)CCC[C@@H]23)C1=O	ZINC001094482993	960668957	/nfs/dbraw/zinc/66/89/57/960668957.db2.gz	VKSVJELKCMUUKU-IDHHARJASA-N	1	0	358.442	1.436	20	30		FDEDRO
N#CC1(CC(=O)n2ccc(=[NH+]CCN3CCOCC3)c(N)c2)CCCCC1	ZINC001181345330	960810839	/nfs/dbraw/zinc/81/08/39/960810839.db2.gz	OKKVZCPUVNPPJH-UHFFFAOYSA-N	1	0	371.485	1.808	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NC2CC2)CC3)nc1	ZINC001094563446	960822182	/nfs/dbraw/zinc/82/21/82/960822182.db2.gz	WUWNFEUFLPKRJB-WIYYLYMNSA-N	1	0	366.465	1.316	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)c3nccnc3C(N)=O)CCC[C@@H]12	ZINC001094573984	960850861	/nfs/dbraw/zinc/85/08/61/960850861.db2.gz	QPDFIIUCQZNTDJ-SJKOYZFVSA-N	1	0	363.849	1.302	20	30		FDEDRO
C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C[C@H]1C	ZINC001181793589	961116834	/nfs/dbraw/zinc/11/68/34/961116834.db2.gz	XGBIVWWOOPQKHH-XLBJILASSA-N	1	0	356.466	1.851	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCC3CC3)C2)C1	ZINC001094736744	961129231	/nfs/dbraw/zinc/12/92/31/961129231.db2.gz	MQRWXGBIJSBWKL-NXHRZFHOSA-N	1	0	361.486	1.169	20	30		FDEDRO
C=C(C)CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3C[C@H]3c3ccncc3)CC2=O)C1	ZINC001094738809	961135126	/nfs/dbraw/zinc/13/51/26/961135126.db2.gz	OIBIIYZVLBCEBF-NZSAHSFTSA-N	1	0	368.481	1.553	20	30		FDEDRO
C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@@H+]([C@H]1CCN(CC)C(=O)C1)C2	ZINC001172040137	961439330	/nfs/dbraw/zinc/43/93/30/961439330.db2.gz	TXBHFPZKDZMGEO-FXAWDEMLSA-N	1	0	362.518	1.180	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCO[C@H]2[C@H](OCC(=O)N(C)C)CC[C@@H]21	ZINC001172304442	961616302	/nfs/dbraw/zinc/61/63/02/961616302.db2.gz	MYQNMANEBYEYED-XJRBWHPUSA-N	1	0	371.481	1.826	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@@H](OCC(=O)N(C)C)[C@H]2COC[C@H]21	ZINC001172306579	961618057	/nfs/dbraw/zinc/61/80/57/961618057.db2.gz	XLUPFMJKTDFNEH-ZWQIFLOQSA-N	1	0	357.454	1.293	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@H]2C[C@@H](C(=O)N3CCOCC3)[C@@H](C1)O2	ZINC001172305738	961618150	/nfs/dbraw/zinc/61/81/50/961618150.db2.gz	FVSQZRYBFUNIDR-HUYLIWGRSA-N	1	0	369.465	1.437	20	30		FDEDRO
CC(=O)N(C)[C@H]1CC[N@@H+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1	ZINC001172990582	961854687	/nfs/dbraw/zinc/85/46/87/961854687.db2.gz	PKXKRTIJJQOKAQ-PMPSAXMXSA-N	1	0	350.463	1.831	20	30		FDEDRO
COCCN1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1	ZINC001172973056	961858781	/nfs/dbraw/zinc/85/87/81/961858781.db2.gz	FDRCIXBMIMERKL-SJORKVTESA-N	1	0	366.506	1.978	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2(C)CCS(=O)(=O)CC2)C[C@H]1C#N	ZINC001172979163	961862656	/nfs/dbraw/zinc/86/26/56/961862656.db2.gz	VQPTZHXSPDIRAE-KGLIPLIRSA-N	1	0	371.503	1.835	20	30		FDEDRO
C#CCCN1CCC[C@@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1=O	ZINC001172982338	961865977	/nfs/dbraw/zinc/86/59/77/961865977.db2.gz	XFPCXJOVMCGDPK-IXDOHACOSA-N	1	0	374.485	1.882	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC3(COC(=O)N3)CC2)C[C@H]1C#N	ZINC001172991327	961901334	/nfs/dbraw/zinc/90/13/34/961901334.db2.gz	WQQCGVFGRJVXKX-KGLIPLIRSA-N	1	0	364.446	1.852	20	30		FDEDRO
C=CCN1CC[NH+]([C@H]2CCN(Cc3ccc(OC)cc3OC)C(=O)C2)CC1	ZINC001173034460	961905247	/nfs/dbraw/zinc/90/52/47/961905247.db2.gz	WHEMOAXGJYEAIE-SFHVURJKSA-N	1	0	373.497	1.998	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1cccnc1)N(C)C)C2	ZINC001110167834	961933879	/nfs/dbraw/zinc/93/38/79/961933879.db2.gz	GHAAOAKFRCZTCT-XWSJACJDSA-N	1	0	358.486	1.608	20	30		FDEDRO
C#C[C@H](NC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@@H]1CCCO1	ZINC000773365554	961966598	/nfs/dbraw/zinc/96/65/98/961966598.db2.gz	VMVWYUKMDGRNLW-ZCNNSNEGSA-N	1	0	370.497	1.455	20	30		FDEDRO
C=CCOC1CCC(n2nc(C(=O)N3CCOCC3)c3c2C[NH2+]C3)CC1	ZINC001173322115	962003448	/nfs/dbraw/zinc/00/34/48/962003448.db2.gz	ZXNXISYRZDXLOE-UHFFFAOYSA-N	1	0	360.458	1.645	20	30		FDEDRO
C=CCOC1CCC([N@@H+]2C[C@@H](OCC(=O)N(C)C)[C@H]3COC[C@H]32)CC1	ZINC001173323855	962004549	/nfs/dbraw/zinc/00/45/49/962004549.db2.gz	HUHQSEANDXVPFY-YXYCDRMUSA-N	1	0	352.475	1.304	20	30		FDEDRO
COC(=O)[C@H]1C[N@@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C[C@@H]1C	ZINC001173435364	962100406	/nfs/dbraw/zinc/10/04/06/962100406.db2.gz	MGGHTHIUANUAQM-KSSFIOAISA-N	1	0	355.438	1.904	20	30		FDEDRO
COc1nccc(C[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)n1	ZINC001173425862	962133481	/nfs/dbraw/zinc/13/34/81/962133481.db2.gz	FXLHNUYQFBYBKQ-UHFFFAOYSA-N	1	0	351.410	1.751	20	30		FDEDRO
CC(=O)N[C@H]1CCC[N@@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1	ZINC001173432304	962149862	/nfs/dbraw/zinc/14/98/62/962149862.db2.gz	XRKBWXDHNOZBLO-SFHVURJKSA-N	1	0	354.454	1.763	20	30		FDEDRO
CN1C[C@@H]2C[N@@H+](C3CCN(C(=O)c4ccc(C#N)cc4)CC3)C[C@@H]2C1=O	ZINC001173433690	962154524	/nfs/dbraw/zinc/15/45/24/962154524.db2.gz	ZLUZIVJDJBJUKA-AEFFLSMTSA-N	1	0	352.438	1.183	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2nccnc2C)C1	ZINC001182669181	962379509	/nfs/dbraw/zinc/37/95/09/962379509.db2.gz	HZYKBXCDXGPPEL-GNUPYSACSA-N	1	0	358.486	1.950	20	30		FDEDRO
COc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C3)cc1C#N	ZINC001095241098	962526829	/nfs/dbraw/zinc/52/68/29/962526829.db2.gz	SHXQXOVPCMLCAH-XWSJACJDSA-N	1	0	368.481	1.883	20	30		FDEDRO
C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)COc2ccc(C#N)cc2)CC1	ZINC001182920143	962634637	/nfs/dbraw/zinc/63/46/37/962634637.db2.gz	IFPVCVKPCJGSHV-WKILWMFISA-N	1	0	358.442	1.042	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1	ZINC001183042999	962754757	/nfs/dbraw/zinc/75/47/57/962754757.db2.gz	JGJBEODZAIVATC-OXJNMPFZSA-N	1	0	374.460	1.727	20	30		FDEDRO
CC[N@H+](CCCC(=O)N1CCNC[C@H]1C#N)[C@H](C)Cc1ccc(O)cc1	ZINC001183046987	962760200	/nfs/dbraw/zinc/76/02/00/962760200.db2.gz	ADEWPDVSOZTTMT-SJLPKXTDSA-N	1	0	358.486	1.749	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)Nc1ccccc1S(=O)(=O)NC(C)C	ZINC001183076200	962778504	/nfs/dbraw/zinc/77/85/04/962778504.db2.gz	SQXXUXMUFMMZRJ-UHFFFAOYSA-N	1	0	351.472	1.964	20	30		FDEDRO
O=C([C@@H]1C[C@H]1c1c[nH]cn1)N1CC[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C1	ZINC001183403120	963012739	/nfs/dbraw/zinc/01/27/39/963012739.db2.gz	NVWPKMZTHKRXTQ-KZNAEPCWSA-N	1	0	352.413	1.895	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)C1	ZINC001183368197	963016142	/nfs/dbraw/zinc/01/61/42/963016142.db2.gz	DOXRFGONGXDUKD-QGTPRVQTSA-N	1	0	362.857	1.686	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCCCCC1	ZINC001110182956	963097217	/nfs/dbraw/zinc/09/72/17/963097217.db2.gz	GJAOELKBOYPREB-BDXSIMOUSA-N	1	0	363.502	1.702	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(OC)nn1	ZINC001175364851	963170181	/nfs/dbraw/zinc/17/01/81/963170181.db2.gz	CDDOVXWGJWUXHV-OIISXLGYSA-N	1	0	362.474	1.841	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NCCCC	ZINC001175366213	963170204	/nfs/dbraw/zinc/17/02/04/963170204.db2.gz	RENWMRMJACGKCJ-BBWFWOEESA-N	1	0	353.507	1.758	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[C@@H](C)O1	ZINC001175380244	963180213	/nfs/dbraw/zinc/18/02/13/963180213.db2.gz	KUOXIUHFKXXPEQ-GVDBMIGSSA-N	1	0	366.506	1.581	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCn1cncn1	ZINC001175630960	963243609	/nfs/dbraw/zinc/24/36/09/963243609.db2.gz	VLUDZEGCVQNVFJ-BZSNNMDCSA-N	1	0	363.506	1.914	20	30		FDEDRO
C=CCOC(=O)c1c(N)nn(-c2ccc(N3CC[NH+](CC)CC3)cc2)c1N	ZINC001175782479	963288501	/nfs/dbraw/zinc/28/85/01/963288501.db2.gz	AFTRDFOMGCFHQL-UHFFFAOYSA-N	1	0	370.457	1.521	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@H](CC(=O)N[C@H]1CC[NH2+]C1)c1ccc(C#N)cc1	ZINC001184086305	963426374	/nfs/dbraw/zinc/42/63/74/963426374.db2.gz	AJZKFDAESIGGAT-JKSUJKDBSA-N	1	0	358.442	1.992	20	30		FDEDRO
N#Cc1cccc(N2C[C@H](C(=O)N(CC[NH3+])c3cccnc3)OC2=O)c1	ZINC001184376874	963563379	/nfs/dbraw/zinc/56/33/79/963563379.db2.gz	XCJFGBUDGWEAEX-MRXNPFEDSA-N	1	0	351.366	1.270	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COC[C@H]2CCCO2)C3)cc1	ZINC001110201413	963713253	/nfs/dbraw/zinc/71/32/53/963713253.db2.gz	FAJCJMRYXWTCLA-ZRNYENFQSA-N	1	0	369.465	1.975	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(C(=O)CN(CCC#N)C(=O)OC(C)(C)C)C[C@H]21	ZINC001184855450	963739209	/nfs/dbraw/zinc/73/92/09/963739209.db2.gz	CGORQVGNRYZESF-HUUCEWRRSA-N	1	0	350.463	1.690	20	30		FDEDRO
CO/N=C(\C(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1)c1ccco1	ZINC001177351195	963795472	/nfs/dbraw/zinc/79/54/72/963795472.db2.gz	SHKGIVZDDIXDLA-UZYVYHOESA-N	1	0	371.441	1.507	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)cc1C#N	ZINC000774861348	963925170	/nfs/dbraw/zinc/92/51/70/963925170.db2.gz	ZILIAYTTZHNEIT-UHFFFAOYSA-N	1	0	358.442	1.172	20	30		FDEDRO
Cc1cc(C2OCCO2)c(C)cc1C[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC001177810656	963978359	/nfs/dbraw/zinc/97/83/59/963978359.db2.gz	NFDKAUKKRZXIQJ-VHEBQXMUSA-N	1	0	371.437	1.965	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1nc(C)nc1C	ZINC001110366678	964033416	/nfs/dbraw/zinc/03/34/16/964033416.db2.gz	ZHNSAUOAUGPHSN-PILAGYSTSA-N	1	0	361.490	1.598	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1nc(C)nc1C	ZINC001110366677	964033764	/nfs/dbraw/zinc/03/37/64/964033764.db2.gz	ZHNSAUOAUGPHSN-LIRZEXBASA-N	1	0	361.490	1.598	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCCCCCC[NH2+]CCNC(=O)C1CC1	ZINC001178513454	964264496	/nfs/dbraw/zinc/26/44/96/964264496.db2.gz	NQKIUGGULRDMJR-MSOLQXFVSA-N	1	0	365.518	1.760	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cn2cnnn2)C1	ZINC001186165785	964325395	/nfs/dbraw/zinc/32/53/95/964325395.db2.gz	HOGGTVFMRGFXOC-NVXWUHKLSA-N	1	0	358.421	1.220	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cn2nccn2)C1	ZINC001186189017	964339007	/nfs/dbraw/zinc/33/90/07/964339007.db2.gz	ISQLBZWWTKJFNT-SJLPKXTDSA-N	1	0	355.417	1.272	20	30		FDEDRO
C=CCO[C@H](C)C(=O)NC[C@@H]1C[N@H+](CCO)CC[C@@H]1c1ccc(F)cc1	ZINC001186204099	964350928	/nfs/dbraw/zinc/35/09/28/964350928.db2.gz	YOQZNIFDWPWPHA-SZVBFZGTSA-N	1	0	364.461	1.931	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CNC(=O)OC)C1	ZINC001186171626	964355749	/nfs/dbraw/zinc/35/57/49/964355749.db2.gz	APDSQIZOHPMIHZ-NVXWUHKLSA-N	1	0	363.433	1.889	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCc2nc(C)no2)[C@@H]1C	ZINC001178726275	964364597	/nfs/dbraw/zinc/36/45/97/964364597.db2.gz	ZUZPPXSQBAAIES-ORQFMDKSSA-N	1	0	362.474	1.871	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](C[NH2+]CCCO)C2(C1)CCOCC2	ZINC001186373753	964481858	/nfs/dbraw/zinc/48/18/58/964481858.db2.gz	MYKMBTNXCIYSOP-KSZLIROESA-N	1	0	366.502	1.195	20	30		FDEDRO
C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC12CCOCC2	ZINC001186373492	964481977	/nfs/dbraw/zinc/48/19/77/964481977.db2.gz	LMHJSFVHBSTXAA-IXDOHACOSA-N	1	0	363.502	1.322	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](C[NH2+]CCCO)C2(C1)CCOCC2	ZINC001186522274	964547722	/nfs/dbraw/zinc/54/77/22/964547722.db2.gz	RUCXUQZHPSSMLR-BZSNNMDCSA-N	1	0	366.502	1.195	20	30		FDEDRO
CC(=O)N1CCC([NH+]2CCC(C(=O)Nc3cccc(C#N)n3)CC2)CC1	ZINC001179011569	964628852	/nfs/dbraw/zinc/62/88/52/964628852.db2.gz	ZPHRBPSQLKSGAM-UHFFFAOYSA-N	1	0	355.442	1.615	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1CCO[C@H]1C1CC1	ZINC001179085253	964708734	/nfs/dbraw/zinc/70/87/34/964708734.db2.gz	VJQGGEAMHWZEHL-AEFFLSMTSA-N	1	0	351.491	1.370	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[C@@H]1CCCO1	ZINC000773801011	964729670	/nfs/dbraw/zinc/72/96/70/964729670.db2.gz	ZBFWCZCGDDSYGG-ROUUACIJSA-N	1	0	373.453	1.253	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]1CCCO1	ZINC000773803983	964757755	/nfs/dbraw/zinc/75/77/55/964757755.db2.gz	JDOJGSDXMNLKLH-OALUTQOASA-N	1	0	369.465	1.560	20	30		FDEDRO
N#CCSCC(=O)N1CC[C@H]2C[N@@H+](CCOc3ccc(F)cc3)C[C@H]21	ZINC001186941005	964855664	/nfs/dbraw/zinc/85/56/64/964855664.db2.gz	YEXPZIJQPIRSFA-WMLDXEAASA-N	1	0	363.458	1.994	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2nccn2C(F)F)C1	ZINC000962320990	1013529569	/nfs/dbraw/zinc/52/95/69/1013529569.db2.gz	GGYXBUSGENJNIA-PQAZSJQKSA-N	1	0	354.401	1.854	20	30		FDEDRO
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2	ZINC001179583361	964931939	/nfs/dbraw/zinc/93/19/39/964931939.db2.gz	IFZAGLHOJYSZRX-INIZCTEOSA-N	1	0	361.486	1.847	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCOCC(C)C)[C@@H]3C2)C1=O	ZINC001187002030	964944112	/nfs/dbraw/zinc/94/41/12/964944112.db2.gz	GWBAJWREGCWKTP-RCCFBDPRSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCCCCC[NH2+][C@@H](C)C(=O)NC	ZINC001179781264	964975783	/nfs/dbraw/zinc/97/57/83/964975783.db2.gz	SHVVMTGIRKVMME-ULQDDVLXSA-N	1	0	353.507	1.758	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]32)[nH]1	ZINC001187530952	965473192	/nfs/dbraw/zinc/47/31/92/965473192.db2.gz	QHTLXFDXAXPGGC-ZKYQVNSYSA-N	1	0	356.348	1.346	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)c3cccc(OC)c3)C[C@H]21	ZINC001187598314	965518846	/nfs/dbraw/zinc/51/88/46/965518846.db2.gz	LJLIDFZIDGZKQD-HHXXYDBFSA-N	1	0	369.465	1.428	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@H+](CCCOc3ccccc3)C[C@H]21	ZINC001187598362	965520420	/nfs/dbraw/zinc/52/04/20/965520420.db2.gz	OFPCWQCNPRNHHK-PKOBYXMFSA-N	1	0	369.465	1.128	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](CCCc3ccc(C)cc3)C[C@H]21	ZINC001187605642	965555342	/nfs/dbraw/zinc/55/53/42/965555342.db2.gz	OWHUZCVTZMPWBX-VQTJNVASSA-N	1	0	367.493	1.600	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+]([C@@H]1CCNC1=O)CC2	ZINC000957608673	1013595304	/nfs/dbraw/zinc/59/53/04/1013595304.db2.gz	YPADSCNVWHPYJZ-ZACQAIPSSA-N	1	0	361.486	1.171	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3cn(C(C)C)nc3C)C[C@H]21	ZINC001187864592	965807382	/nfs/dbraw/zinc/80/73/82/965807382.db2.gz	DGQHKMBDYZNCFC-ZIFCJYIRSA-N	1	0	358.486	1.843	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccnn3CC(F)F)[C@@H]2C1	ZINC001187926083	965909706	/nfs/dbraw/zinc/90/97/06/965909706.db2.gz	ZMURDKMFZHBTJM-DZGCQCFKSA-N	1	0	354.401	1.497	20	30		FDEDRO
CCc1nccn1[C@H](C)CC(=O)N1CC[C@H]2C[N@H+](CC#CCOC)C[C@H]21	ZINC001187971231	965933586	/nfs/dbraw/zinc/93/35/86/965933586.db2.gz	FYTHCQIDMHZCRG-FGTMMUONSA-N	1	0	358.486	1.579	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)NC(=O)C3CCCC3)[C@@H]2C1	ZINC001188033149	965981990	/nfs/dbraw/zinc/98/19/90/965981990.db2.gz	CVSLUUQPDQWFJY-BPQIPLTHSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CC[C@H]2CN(CCCS(=O)(=O)CC)C[C@H]21	ZINC001188063316	965986297	/nfs/dbraw/zinc/98/62/97/965986297.db2.gz	IIBNLTPNSBOOJW-JKSUJKDBSA-N	1	0	356.532	1.946	20	30		FDEDRO
CCC(=O)Nc1cccc(C(=O)N2CC[C@H]3C[N@H+](CC#CCOC)C[C@H]32)c1	ZINC001188095564	966005061	/nfs/dbraw/zinc/00/50/61/966005061.db2.gz	NMCFRKFZZLGUHT-PKOBYXMFSA-N	1	0	369.465	1.831	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CNS(=O)(=O)CC)[C@@H]2C1	ZINC001188131560	966047059	/nfs/dbraw/zinc/04/70/59/966047059.db2.gz	DQCWETXILZVFQR-JKSUJKDBSA-N	1	0	359.536	1.429	20	30		FDEDRO
CCCCCCCCOCC(=O)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21	ZINC001188226881	966139671	/nfs/dbraw/zinc/13/96/71/966139671.db2.gz	ZNISMIJHNCKGKK-RBUKOAKNSA-N	1	0	370.534	1.905	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cccc(CC)c3)[C@@H]2C1	ZINC001188368878	966240101	/nfs/dbraw/zinc/24/01/01/966240101.db2.gz	BHHLCQMCDUTECR-LSTHTHJFSA-N	1	0	367.493	1.462	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CC3CS(=O)(=O)C3)[C@@H]2C1	ZINC001188388049	966255790	/nfs/dbraw/zinc/25/57/90/966255790.db2.gz	NIZNDWZDRZSIIC-DLBZAZTESA-N	1	0	354.516	1.700	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CS(=O)(=O)C3CCCC3)[C@@H]2C1	ZINC001188349777	966266727	/nfs/dbraw/zinc/26/67/27/966266727.db2.gz	SOIIRWLCTRCSNR-DOTOQJQBSA-N	1	0	354.516	1.843	20	30		FDEDRO
C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cc(F)ccc3CC)[C@@H]2C1	ZINC001188441308	966290926	/nfs/dbraw/zinc/29/09/26/966290926.db2.gz	CTIHKUFCJBYGHQ-MAUKXSAKSA-N	1	0	359.445	1.837	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(NC(C)=O)cc3)[C@@H]2C1	ZINC001188470614	966341776	/nfs/dbraw/zinc/34/17/76/966341776.db2.gz	OYOXCFWXLWTVAK-AZUAARDMSA-N	1	0	369.465	1.370	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cc(C)ccc3OC)[C@@H]2C1	ZINC001188476097	966346078	/nfs/dbraw/zinc/34/60/78/966346078.db2.gz	GPVRQUAGIOULNO-PKOBYXMFSA-N	1	0	356.466	1.729	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3ccc(C(N)=O)cc3)[C@@H]2C1	ZINC001188543438	966412388	/nfs/dbraw/zinc/41/23/88/966412388.db2.gz	FNZLMCBSTZEVAY-RBUKOAKNSA-N	1	0	371.481	1.453	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(Br)c3)[C@@H]2C1	ZINC001188593537	966445480	/nfs/dbraw/zinc/44/54/80/966445480.db2.gz	FETOATHBTAXQIO-GXTWGEPZSA-N	1	0	366.259	1.573	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@@H]2C1	ZINC001188635980	966480318	/nfs/dbraw/zinc/48/03/18/966480318.db2.gz	FNFFXZFALZBSHI-RYQLBKOJSA-N	1	0	371.485	1.645	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c(C)nn(C)c3C)[C@@H]2C1	ZINC001188707441	966511749	/nfs/dbraw/zinc/51/17/49/966511749.db2.gz	UGCQGVOEOHGTNR-PKOBYXMFSA-N	1	0	360.502	1.705	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN([C@@H](C)C(=O)NCC(C)C)C[C@H]32)cc1	ZINC001188744038	966552278	/nfs/dbraw/zinc/55/22/78/966552278.db2.gz	JQAQBRRDYBUWEG-FFZOFVMBSA-N	1	0	367.493	1.975	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN([C@H](C)C(=O)NCCC)C[C@H]32)cc1	ZINC001188744048	966552429	/nfs/dbraw/zinc/55/24/29/966552429.db2.gz	KKNJNPVOQMKEPM-AYOQOUSVSA-N	1	0	353.466	1.729	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN([C@H](C)C(=O)NCC(C)C)C[C@H]32)cc1	ZINC001188744039	966552767	/nfs/dbraw/zinc/55/27/67/966552767.db2.gz	JQAQBRRDYBUWEG-LSTHTHJFSA-N	1	0	367.493	1.975	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)CC(N)=O)[C@@H]3C2)cc1C#N	ZINC001188794658	966557785	/nfs/dbraw/zinc/55/77/85/966557785.db2.gz	XIHNBBKDSWJLKJ-JLJPHGGASA-N	1	0	370.453	1.111	20	30		FDEDRO
CC#CCCCC(=O)N1CC[C@H]2CN(CC(=O)N(C)Cc3ccco3)C[C@H]21	ZINC001188865250	966605360	/nfs/dbraw/zinc/60/53/60/966605360.db2.gz	AILFSDMRLFTZOP-PKOBYXMFSA-N	1	0	371.481	1.964	20	30		FDEDRO
CC#CCCCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]21	ZINC001188856138	966623854	/nfs/dbraw/zinc/62/38/54/966623854.db2.gz	LITSONGGKRXNCU-YTQUADARSA-N	1	0	357.498	1.866	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3cc(C)on3)[C@@H]2C1	ZINC001189095839	966769566	/nfs/dbraw/zinc/76/95/66/966769566.db2.gz	ZJOJVORKRNZPBA-HLLBOEOZSA-N	1	0	360.458	1.139	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)OCc3ccncc3)[C@@H]2C1	ZINC001189182490	966809695	/nfs/dbraw/zinc/80/96/95/966809695.db2.gz	WQIWGUHAZFTVQD-NZSAHSFTSA-N	1	0	359.470	1.722	20	30		FDEDRO
CC[C@H](NC(C)=O)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001189194572	966816217	/nfs/dbraw/zinc/81/62/17/966816217.db2.gz	HXPWMRVZYGTPMZ-GBESFXJTSA-N	1	0	354.454	1.506	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)n3cnc4ccccc43)[C@@H]2C1	ZINC001189639663	967099796	/nfs/dbraw/zinc/09/97/96/967099796.db2.gz	BOZIUNIMGBRJSQ-ABSDTBQOSA-N	1	0	366.465	1.780	20	30		FDEDRO
C#C[C@H](NC(=O)NCc1ccnc(OCC[NH+](C)C)c1)C1CCOCC1	ZINC000852231295	967125099	/nfs/dbraw/zinc/12/50/99/967125099.db2.gz	CZCHPZQEYQPRER-KRWDZBQOSA-N	1	0	360.458	1.250	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4ccnn4)cc3)[C@@H]2C1	ZINC001189755583	967229510	/nfs/dbraw/zinc/22/95/10/967229510.db2.gz	LTKVUGXYMWWHCP-PKOBYXMFSA-N	1	0	365.437	1.063	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)CCC(=O)NCCCOC)[C@@H]2C1	ZINC001189755316	967229627	/nfs/dbraw/zinc/22/96/27/967229627.db2.gz	JYBKNYNVGPIALM-DLBZAZTESA-N	1	0	351.491	1.418	20	30		FDEDRO
N#Cc1nc(N)c(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)nc1C#N	ZINC001189737526	967241906	/nfs/dbraw/zinc/24/19/06/967241906.db2.gz	LVKIPMPWRLOEHG-UHFFFAOYSA-N	1	0	351.370	1.633	20	30		FDEDRO
C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H](C)c3ccc(C)cc3)[C@@H]2C1	ZINC001189828751	967287153	/nfs/dbraw/zinc/28/71/53/967287153.db2.gz	FMDNWRKOOZPZFU-YTQUADARSA-N	1	0	353.466	1.381	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCc2ccnn2C)CCOCC1	ZINC001110650927	967375374	/nfs/dbraw/zinc/37/53/74/967375374.db2.gz	FDRJXUIYNJSJCY-QRVBRYPASA-N	1	0	370.497	1.504	20	30		FDEDRO
C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ccsc3C(F)F)[C@@H]2C1	ZINC001189969809	967424421	/nfs/dbraw/zinc/42/44/21/967424421.db2.gz	PSCWHSLJOQUCHL-WCQYABFASA-N	1	0	367.421	1.581	20	30		FDEDRO
C#CCNC(=O)CC[NH+]1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1	ZINC000852604605	967461730	/nfs/dbraw/zinc/46/17/30/967461730.db2.gz	RGOPIOJCXHIWDS-OAHLLOKOSA-N	1	0	373.419	1.639	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(F)cc3)[C@@H]2C1	ZINC001189999103	967489176	/nfs/dbraw/zinc/48/91/76/967489176.db2.gz	KQLYBDFDQGYMKI-UWWQBHOKSA-N	1	0	359.445	1.592	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(N3CCOC3=O)CC2)cc1	ZINC000852720430	967551839	/nfs/dbraw/zinc/55/18/39/967551839.db2.gz	GAWNONIKDMVUCE-QGZVFWFLSA-N	1	0	359.426	1.409	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(NC(=O)C#CC3CC[NH2+]CC3)cc2)C[C@H](C)O1	ZINC000852821019	967632453	/nfs/dbraw/zinc/63/24/53/967632453.db2.gz	WYYRKNFZHHDYJF-IYBDPMFKSA-N	1	0	369.465	1.878	20	30		FDEDRO
Cc1ccc(CNC(=O)C2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)cc1	ZINC000852826558	967637391	/nfs/dbraw/zinc/63/73/91/967637391.db2.gz	UUEDMLPLFKZDCH-UHFFFAOYSA-N	1	0	367.493	1.853	20	30		FDEDRO
COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1	ZINC001190230045	967645611	/nfs/dbraw/zinc/64/56/11/967645611.db2.gz	RMUKKTYOZYVUMQ-GUDVDZBRSA-N	1	0	370.497	1.336	20	30		FDEDRO
COc1ccc(NC(=O)C#CC2CC[NH2+]CC2)cc1-n1nnnc1C1CC1	ZINC000852849999	967655179	/nfs/dbraw/zinc/65/51/79/967655179.db2.gz	NUSAJILENRVTPP-UHFFFAOYSA-N	1	0	366.425	1.490	20	30		FDEDRO
C[C@H](NC(=O)C#CC1CC[NH2+]CC1)[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000852869710	967676036	/nfs/dbraw/zinc/67/60/36/967676036.db2.gz	DYKGBXCRCLMTHA-PXNSSMCTSA-N	1	0	355.482	1.395	20	30		FDEDRO
CN1CCN([C@H](CNC(=O)C#CC2CC[NH2+]CC2)c2cccs2)CC1	ZINC000852872159	967678704	/nfs/dbraw/zinc/67/87/04/967678704.db2.gz	ISRQFUYPJPMUFG-QGZVFWFLSA-N	1	0	360.527	1.156	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1Cc2ccccc2C[C@H]1C(=O)NC1CC1	ZINC000852894155	967693734	/nfs/dbraw/zinc/69/37/34/967693734.db2.gz	FZVUKQVOGFIOSO-IBGZPJMESA-N	1	0	351.450	1.222	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CS(=O)(=O)NC(C)(C)C)[C@@H]2C1	ZINC001190247626	967694257	/nfs/dbraw/zinc/69/42/57/967694257.db2.gz	PISPYRDPMPMJLE-LSDHHAIUSA-N	1	0	357.520	1.203	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCNC(=O)CC1	ZINC001110425078	967744817	/nfs/dbraw/zinc/74/48/17/967744817.db2.gz	FNCMVTFIKLXGLZ-MLHJIOFPSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)CS(C)(=O)=O)[C@@H]2C1	ZINC001190377659	967812746	/nfs/dbraw/zinc/81/27/46/967812746.db2.gz	HHOCOBDFJKVSSY-YESZJQIVSA-N	1	0	356.532	1.946	20	30		FDEDRO
C#C[C@H]([NH2+]C[C@H](O)COc1cccc(C(=O)OCC)c1)C1CCOCC1	ZINC000853115192	967840934	/nfs/dbraw/zinc/84/09/34/967840934.db2.gz	GCQYSHSYERPDQI-HKUYNNGSSA-N	1	0	361.438	1.621	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]21	ZINC001190449886	967875574	/nfs/dbraw/zinc/87/55/74/967875574.db2.gz	IKPNPOOAUSAEPL-FGTMMUONSA-N	1	0	365.518	1.756	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]21	ZINC001190450011	967877641	/nfs/dbraw/zinc/87/76/41/967877641.db2.gz	MQGHHCCCWYSQRG-HRCADAONSA-N	1	0	366.506	1.208	20	30		FDEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)c1cccc(C#N)c1F)CC2	ZINC001190535621	967934810	/nfs/dbraw/zinc/93/48/10/967934810.db2.gz	FONOJRCEFSDOGC-UHFFFAOYSA-N	1	0	358.417	1.514	20	30		FDEDRO
CCN(CC)S(=O)(=O)c1ccc(N=NCc2cnc3n2CCC3)nc1	ZINC000853274931	967954567	/nfs/dbraw/zinc/95/45/67/967954567.db2.gz	GUCFUNSUEQRUTP-UHFFFAOYSA-N	1	0	362.459	1.701	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)CCCCCS(N)(=O)=O)[C@@H]2C1	ZINC001190618427	967962432	/nfs/dbraw/zinc/96/24/32/967962432.db2.gz	VGYNUJRFOXEVTR-JKSUJKDBSA-N	1	0	357.520	1.334	20	30		FDEDRO
Cc1cc(N2CCN(S(=O)(=O)c3cc(C#N)ccc3F)CC2)cc[nH+]1	ZINC001190642174	967999705	/nfs/dbraw/zinc/99/97/05/967999705.db2.gz	ALAKPOMDLMSVOO-UHFFFAOYSA-N	1	0	360.414	1.912	20	30		FDEDRO
CCOC(=O)[C@@H](C#N)NC(=O)c1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC001190865672	968142814	/nfs/dbraw/zinc/14/28/14/968142814.db2.gz	GOEJCRADZQDWJM-QGZVFWFLSA-N	1	0	358.442	1.009	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](C3N=NC(=S)N3C)C2)CC1	ZINC000853692156	968252968	/nfs/dbraw/zinc/25/29/68/968252968.db2.gz	QNXBLQXCCMNVCK-ZDUSSCGKSA-N	1	0	364.519	1.643	20	30		FDEDRO
CNC(=O)[C@@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C(C)C	ZINC000775435303	968273804	/nfs/dbraw/zinc/27/38/04/968273804.db2.gz	VZNQDMLRYRNDBO-GUYCJALGSA-N	1	0	351.410	1.584	20	30		FDEDRO
N#CCSCC(=O)N[C@@H]1C[N@@H+](CCCc2ccc(Cl)cc2)C[C@H]1O	ZINC001191149529	968298819	/nfs/dbraw/zinc/29/88/19/968298819.db2.gz	WYCQEWGIQOUUHH-HZPDHXFCSA-N	1	0	367.902	1.691	20	30		FDEDRO
C#CCCN(CCOC)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1	ZINC000853873103	968387748	/nfs/dbraw/zinc/38/77/48/968387748.db2.gz	TVYVAJXKHTZYOK-ZWKOTPCHSA-N	1	0	351.491	1.436	20	30		FDEDRO
N#Cc1ccc(CNC(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)nc1	ZINC000854010753	968528640	/nfs/dbraw/zinc/52/86/40/968528640.db2.gz	UGWVDXQCMKINKX-IBGZPJMESA-N	1	0	365.437	1.519	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH+]1CCC(c2nccc(-c3cnn(C)c3)n2)CC1	ZINC000854100839	968593963	/nfs/dbraw/zinc/59/39/63/968593963.db2.gz	YJTCYCDQJFFGLP-CQSZACIVSA-N	1	0	352.442	1.194	20	30		FDEDRO
Cc1n[nH]c(C)c1S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000775465990	968595363	/nfs/dbraw/zinc/59/53/63/968595363.db2.gz	JUICPFJYDPXIFN-UHFFFAOYSA-N	1	0	361.471	1.651	20	30		FDEDRO
N#Cc1cc(C(=O)Nc2ccc(N3CC[NH+](CCO)CC3)cc2)ccn1	ZINC001191549765	968606819	/nfs/dbraw/zinc/60/68/19/968606819.db2.gz	UPWWUGSPFDNUKC-UHFFFAOYSA-N	1	0	351.410	1.320	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1O	ZINC001191615019	968621541	/nfs/dbraw/zinc/62/15/41/968621541.db2.gz	TVTRUMCBNNZJII-CGTJXYLNSA-N	1	0	354.491	1.336	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(N(C)C)c2)C[C@H]1O	ZINC001191597797	968647865	/nfs/dbraw/zinc/64/78/65/968647865.db2.gz	CNXHITRTOVERNS-KFKAGJAMSA-N	1	0	361.486	1.395	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1CN([C@H](C)C(=O)NCc2ccc(C)cc2)C[C@H]1O	ZINC001191644925	968685115	/nfs/dbraw/zinc/68/51/15/968685115.db2.gz	BBTRGOVBOVZLSY-KBAYOESNSA-N	1	0	359.470	1.127	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C[C@H]1O	ZINC001191724753	968715879	/nfs/dbraw/zinc/71/58/79/968715879.db2.gz	PCPBDVRZQBKXLT-IAGOWNOFSA-N	1	0	365.518	1.399	20	30		FDEDRO
CCCOc1ccc(OCCN2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)cc1	ZINC001191880954	968831846	/nfs/dbraw/zinc/83/18/46/968831846.db2.gz	DGHCGHUHQODSQK-ZTFGCOKTSA-N	1	0	361.442	1.175	20	30		FDEDRO
COc1ccc(-c2cc(CN3C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C3)on2)cc1	ZINC001191880582	968832178	/nfs/dbraw/zinc/83/21/78/968832178.db2.gz	BKRLRRQYPVXFFW-JBBXEZCESA-N	1	0	370.409	1.171	20	30		FDEDRO
COc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)ccc1C#N	ZINC000854440380	968890875	/nfs/dbraw/zinc/89/08/75/968890875.db2.gz	REJPEYVFFZOUKC-ALOPSCKCSA-N	1	0	370.453	1.380	20	30		FDEDRO
C=CC[C@@]1(C(=O)N[C@H](CO)C[NH+](C)C)CCCN1C(=O)OC(C)(C)C	ZINC000854464955	968912534	/nfs/dbraw/zinc/91/25/34/968912534.db2.gz	NFQSCQNNDNZEQD-KSSFIOAISA-N	1	0	355.479	1.371	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@H+](Cc2cccc(COC)c2)C[C@H]1O	ZINC001192054130	968931520	/nfs/dbraw/zinc/93/15/20/968931520.db2.gz	KUDAPGSENIVSKS-RTBURBONSA-N	1	0	362.470	1.477	20	30		FDEDRO
C=C[C@@H](O)C(=O)NC1CCC([NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000854577897	968993551	/nfs/dbraw/zinc/99/35/51/968993551.db2.gz	FMIAHZFXERWUNC-UYSNPLJNSA-N	1	0	367.490	1.513	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@H+](CCCc2cccc(OC)c2)C[C@H]1O	ZINC001192328999	969066468	/nfs/dbraw/zinc/06/64/68/969066468.db2.gz	RVCIKOXNKATQHE-WOJBJXKFSA-N	1	0	358.482	1.983	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCOCCOC)C1	ZINC001192777286	969282418	/nfs/dbraw/zinc/28/24/18/969282418.db2.gz	BHFXOGQMWHRJFX-SQNIBIBYSA-N	1	0	354.491	1.553	20	30		FDEDRO
CCN(CCC#N)C(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CCC2)C1	ZINC001192780061	969285773	/nfs/dbraw/zinc/28/57/73/969285773.db2.gz	YSJOGNJDLNAYDG-OKZBNKHCSA-N	1	0	360.502	1.717	20	30		FDEDRO
COc1ccccc1CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1	ZINC001192870791	969325760	/nfs/dbraw/zinc/32/57/60/969325760.db2.gz	GUALGWRGJMXAMW-QZTJIDSGSA-N	1	0	358.482	1.839	20	30		FDEDRO
COCC[C@@H](c1ccccc1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1	ZINC001192871840	969326279	/nfs/dbraw/zinc/32/62/79/969326279.db2.gz	WJXRCOMLGCSVJS-CEXWTWQISA-N	1	0	358.482	1.975	20	30		FDEDRO
C[NH+](C)CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)CC#N	ZINC001192973924	969413413	/nfs/dbraw/zinc/41/34/13/969413413.db2.gz	WENIOEYGJZCKLF-UHFFFAOYSA-N	1	0	374.507	1.103	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)c2ccoc2)C1	ZINC001193174936	969503789	/nfs/dbraw/zinc/50/37/89/969503789.db2.gz	WAFYJEDXJYCCMA-USXIJHARSA-N	1	0	363.458	1.306	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1CN(Cc2cc(CO)ccc2F)C[C@H]1O	ZINC001193240969	969569628	/nfs/dbraw/zinc/56/96/28/969569628.db2.gz	OKZJTFSYBDYTON-RTBURBONSA-N	1	0	362.445	1.748	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOC[C@@H]2CCCO2)c[nH]1	ZINC001110455979	969572700	/nfs/dbraw/zinc/57/27/00/969572700.db2.gz	PQWXLOVUOYUDMJ-XDNAFOTISA-N	1	0	358.442	1.417	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1O	ZINC001193377371	969668127	/nfs/dbraw/zinc/66/81/27/969668127.db2.gz	RFDYMRMUKQQIRH-RTBURBONSA-N	1	0	354.454	1.890	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1CN(Cc2cc(C3CC3)no2)C[C@H]1O)OCC	ZINC001193422329	969697667	/nfs/dbraw/zinc/69/76/67/969697667.db2.gz	PDHIKKXIIFCSBH-KURKYZTESA-N	1	0	363.458	1.585	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2-c2cn[nH]c2)C1	ZINC001193594718	969754806	/nfs/dbraw/zinc/75/48/06/969754806.db2.gz	BCKAEPGYAPGBFK-QZTJIDSGSA-N	1	0	356.426	1.054	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCCc3ccccc3)C[C@H]2O)CCOCC1	ZINC001193729284	969819583	/nfs/dbraw/zinc/81/95/83/969819583.db2.gz	WZCNNNMQQAEWNU-WOJBJXKFSA-N	1	0	370.493	1.601	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cccnc3)c2)C1	ZINC001193737858	969821070	/nfs/dbraw/zinc/82/10/70/969821070.db2.gz	IKXNVXWFLSNLFU-BMGDILEWSA-N	1	0	355.442	1.397	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)OCCCO3)C1	ZINC001193755969	969857372	/nfs/dbraw/zinc/85/73/72/969857372.db2.gz	ODAHSBSBALICRB-USXIJHARSA-N	1	0	360.454	1.978	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3ccc(OC)cc32)C1	ZINC001193821431	969879884	/nfs/dbraw/zinc/87/98/84/969879884.db2.gz	IANGMLPPMSELMG-BHIYHBOVSA-N	1	0	360.454	1.089	20	30		FDEDRO
C[NH+]1CCN(c2cncc(C(=O)NCc3ccc(C#N)c(F)c3)c2)CC1	ZINC001193951109	969953484	/nfs/dbraw/zinc/95/34/84/969953484.db2.gz	CWXFMIZXNXQCMQ-UHFFFAOYSA-N	1	0	353.401	1.774	20	30		FDEDRO
CCOC(=O)C1CC[NH+](C2CCN(C(=O)c3cncc(C#N)c3)CC2)CC1	ZINC001194105140	970020103	/nfs/dbraw/zinc/02/01/03/970020103.db2.gz	NSDQIORFMIBTEY-UHFFFAOYSA-N	1	0	370.453	1.833	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(CC)CCC(F)(F)CC2)C1	ZINC001194226728	970056771	/nfs/dbraw/zinc/05/67/71/970056771.db2.gz	BORWFBSYDRZXOF-HUUCEWRRSA-N	1	0	360.445	1.956	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2F)C[C@H]1O	ZINC001194244579	970069695	/nfs/dbraw/zinc/06/96/95/970069695.db2.gz	RYVDOARTIGJJDI-IAGOWNOFSA-N	1	0	362.449	1.089	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc([C@@H]3CCOC3)c2)C1	ZINC001194265718	970086833	/nfs/dbraw/zinc/08/68/33/970086833.db2.gz	WQAMTFBNSZFGHY-GUDVDZBRSA-N	1	0	360.454	1.168	20	30		FDEDRO
CN(CC1CC1)C(=O)CON=C(N)c1ccccc1C[NH+]1CCC(O)CC1	ZINC000112970006	970139975	/nfs/dbraw/zinc/13/99/75/970139975.db2.gz	SNKUVWUNQCPPGQ-UHFFFAOYSA-N	1	0	374.485	1.149	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1	ZINC000855287804	970272611	/nfs/dbraw/zinc/27/26/11/970272611.db2.gz	VCXVHNHYMBAURG-OAHLLOKOSA-N	1	0	363.483	1.201	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCc2ncc(C)o2)C1	ZINC001194604030	970272853	/nfs/dbraw/zinc/27/28/53/970272853.db2.gz	PFPVCWNQKNFJIG-HZPDHXFCSA-N	1	0	351.447	1.407	20	30		FDEDRO
N#Cc1ccc([C@H](O)C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1	ZINC000855403989	970336844	/nfs/dbraw/zinc/33/68/44/970336844.db2.gz	SOMLVNMMRXHIOJ-PMACEKPBSA-N	1	0	365.433	1.475	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc2ccccc2o1	ZINC001110461724	970426553	/nfs/dbraw/zinc/42/65/53/970426553.db2.gz	FTVHYAGJUNSHHA-NXHRZFHOSA-N	1	0	365.433	1.794	20	30		FDEDRO
C[NH+](C)C[C@H]1COCCN1C(=O)c1ccc(C#CBr)cc1	ZINC001194806588	970430020	/nfs/dbraw/zinc/43/00/20/970430020.db2.gz	QKJGWOMCTMYIMA-HNNXBMFYSA-N	1	0	351.244	1.793	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncc3cccnc32)C1	ZINC001194824081	970444542	/nfs/dbraw/zinc/44/45/42/970444542.db2.gz	CMQKCDVORBCMQZ-IAGOWNOFSA-N	1	0	359.474	1.563	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)c3cccnc32)C1	ZINC001194873013	970488410	/nfs/dbraw/zinc/48/84/10/970488410.db2.gz	YWKQRXOMLSMOMY-KBRIMQKVSA-N	1	0	357.458	1.256	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N1CCC(c2[nH]c(C)c(C)[nH+]2)CC1	ZINC001194940872	970538576	/nfs/dbraw/zinc/53/85/76/970538576.db2.gz	UNEAOJJDJOAJOY-UHFFFAOYSA-N	1	0	369.491	1.313	20	30		FDEDRO
CC[C@@H](CC#N)[NH2+]C[C@@H](O)COc1cn(-c2ccccc2)nc1C(=O)OC	ZINC001194940806	970538860	/nfs/dbraw/zinc/53/88/60/970538860.db2.gz	AONITLZBGPUCIM-GOEBONIOSA-N	1	0	372.425	1.680	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCCC(F)(F)C1	ZINC001110465737	970661466	/nfs/dbraw/zinc/66/14/66/970661466.db2.gz	QZKZFSKUZRNVTF-FPCVCCKLSA-N	1	0	367.440	1.673	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccccc2C(N)=O)C1	ZINC001195198123	970761361	/nfs/dbraw/zinc/76/13/61/970761361.db2.gz	MPJPLBKLTTVGER-QZTJIDSGSA-N	1	0	359.470	1.236	20	30		FDEDRO
CCN(CC)S(=O)(=O)c1ccc(N=NC2C[N@@H+]3C[C@@H]2CCC3)nc1	ZINC000863071771	972657760	/nfs/dbraw/zinc/65/77/60/972657760.db2.gz	ZDQCWPIHAFRQJZ-ZDUSSCGKSA-N	1	0	351.476	1.606	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)CCn1nnc2ccccc2c1=O	ZINC000119410946	972840480	/nfs/dbraw/zinc/84/04/80/972840480.db2.gz	AEENVHCAUDHELA-HNNXBMFYSA-N	1	0	356.426	1.459	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@H]2O)CCOCC1	ZINC001198239400	972926935	/nfs/dbraw/zinc/92/69/35/972926935.db2.gz	KTNXDKVJRJWZGU-GVDBMIGSSA-N	1	0	352.475	1.090	20	30		FDEDRO
COc1ccc(N2CCN(CCC[NH2+]C[C@@H](O)CC3(C#N)CC3)CC2)cc1	ZINC000863546671	973001424	/nfs/dbraw/zinc/00/14/24/973001424.db2.gz	DPFHRICDRDYPMO-IBGZPJMESA-N	1	0	372.513	1.852	20	30		FDEDRO
CS(=O)(=O)Nc1cccc(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)c1	ZINC000863547860	973001481	/nfs/dbraw/zinc/00/14/81/973001481.db2.gz	LZHBEZZVHFTBJY-INIZCTEOSA-N	1	0	367.471	1.219	20	30		FDEDRO
CC[C@H](C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)NC(=O)OC(C)(C)C	ZINC000863558150	973015504	/nfs/dbraw/zinc/01/55/04/973015504.db2.gz	XDQDLVRNGQEKAH-HUUCEWRRSA-N	1	0	355.479	1.951	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1	ZINC000863564504	973018730	/nfs/dbraw/zinc/01/87/30/973018730.db2.gz	YLBNYHLRTAIJAN-KRWDZBQOSA-N	1	0	363.483	1.066	20	30		FDEDRO
CC(C)(C)OC(=O)NC1(C[NH2+]C[C@H](O)CC2(C#N)CC2)CCOCC1	ZINC000863573391	973025350	/nfs/dbraw/zinc/02/53/50/973025350.db2.gz	OMHVZTSAWQDEAC-CQSZACIVSA-N	1	0	353.463	1.705	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCOC[C@H]1C[NH2+]C[C@H](O)c1ccc(C#N)cc1	ZINC000863581278	973032528	/nfs/dbraw/zinc/03/25/28/973032528.db2.gz	PKMGAPLULCOTOX-SJORKVTESA-N	1	0	361.442	1.817	20	30		FDEDRO
C#CC[C@H](COC)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1	ZINC000863589513	973037590	/nfs/dbraw/zinc/03/75/90/973037590.db2.gz	QHTUEYRTSSRAJF-ZIAGYGMSSA-N	1	0	360.223	1.956	20	30		FDEDRO
C=CC[C@]1(C(=O)NCC[N@@H+]2CC[C@H](O)C2)CCCN1C(=O)OC(C)(C)C	ZINC000863833507	973253662	/nfs/dbraw/zinc/25/36/62/973253662.db2.gz	QNCXAMHBKDODJQ-HNAYVOBHSA-N	1	0	367.490	1.515	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](CO)[C@H](CCO)C2)c1C	ZINC001198754089	973483667	/nfs/dbraw/zinc/48/36/67/973483667.db2.gz	TXOQMGPVJOKBFP-MSOLQXFVSA-N	1	0	359.470	1.473	20	30		FDEDRO
C=CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O)c1ccccc1	ZINC001198880994	973651666	/nfs/dbraw/zinc/65/16/66/973651666.db2.gz	SBAMFKWSJPBOHZ-XUVXKRRUSA-N	1	0	358.482	1.934	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)c2ccc(OC)cc2)C1	ZINC001198911208	973671154	/nfs/dbraw/zinc/67/11/54/973671154.db2.gz	MUIJUALPIFTCSB-KFKAGJAMSA-N	1	0	362.470	1.553	20	30		FDEDRO
N#C[C@]1(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCCOC1	ZINC000864614043	973683483	/nfs/dbraw/zinc/68/34/83/973683483.db2.gz	OGVIUXCLRKCMGB-HXUWFJFHSA-N	1	0	356.470	1.241	20	30		FDEDRO
C=C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1O)c1ccccc1	ZINC001198956347	973742184	/nfs/dbraw/zinc/74/21/84/973742184.db2.gz	VCKMZPQKISLRIV-PWRODBHTSA-N	1	0	366.461	1.810	20	30		FDEDRO
C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C#N)c1ccc(F)cc1	ZINC000864685342	973765124	/nfs/dbraw/zinc/76/51/24/973765124.db2.gz	KTKXMMHAQLBFOK-GJZGRUSLSA-N	1	0	364.421	1.961	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCc3sccc3C2)C1	ZINC001198989442	973810651	/nfs/dbraw/zinc/81/06/51/973810651.db2.gz	INXCAUOXBHBERJ-USXIJHARSA-N	1	0	363.527	1.622	20	30		FDEDRO
C#CCOC[C@H](O)C[N@@H+](CCC)C[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC001251857510	973849252	/nfs/dbraw/zinc/84/92/52/973849252.db2.gz	DUVCYPDHNISUMO-IAGOWNOFSA-N	1	0	354.491	1.966	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)NC(=O)C2CCCC2)C1	ZINC001199491105	974298538	/nfs/dbraw/zinc/29/85/38/974298538.db2.gz	YRSDAONFAYYZKO-DJIMGWMZSA-N	1	0	351.491	1.199	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]C1CCN(CCS(C)(=O)=O)CC1	ZINC000865456267	974308350	/nfs/dbraw/zinc/30/83/50/974308350.db2.gz	VLCQKWTVIOEFBI-UHFFFAOYSA-N	1	0	364.515	1.223	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(NC(C)=O)c(F)c2)C1	ZINC001199539590	974321630	/nfs/dbraw/zinc/32/16/30/974321630.db2.gz	QEMCNFAGKZGLAP-NXOUGTEYSA-N	1	0	363.433	1.914	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C/C=C\c2ccc(C)cc2)C1	ZINC001199591711	974395495	/nfs/dbraw/zinc/39/54/95/974395495.db2.gz	SAAJXLFQJCISHL-UCRXXKMOSA-N	1	0	371.481	1.250	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)NCC1([NH+]2CCSCC2)CCCCC1	ZINC000645284678	1014194188	/nfs/dbraw/zinc/19/41/88/1014194188.db2.gz	VPMCVSBEYQTZOB-INIZCTEOSA-N	1	0	353.532	1.812	20	30		FDEDRO
N#CCCCOc1cccc(C[NH2+]C[C@@]23COCCN2C(=O)COC3)c1	ZINC000865797445	974499381	/nfs/dbraw/zinc/49/93/81/974499381.db2.gz	HYYVXQJJZDIAQX-IBGZPJMESA-N	1	0	359.426	1.087	20	30		FDEDRO
COCC[N@H+](C)CCN1C[C@H](Nc2nc(Cl)c(C#N)s2)CC1=O	ZINC000865887462	974549008	/nfs/dbraw/zinc/54/90/08/974549008.db2.gz	WFQIYIGJNHJFHD-SNVBAGLBSA-N	1	0	357.867	1.259	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OCC#N)cc1	ZINC001110553604	974775277	/nfs/dbraw/zinc/77/52/77/974775277.db2.gz	YXNNWDNGMROSTB-RLLQIKCJSA-N	1	0	367.449	1.850	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)C(=O)N(CC)CC)CC1	ZINC001200636660	974852486	/nfs/dbraw/zinc/85/24/86/974852486.db2.gz	KOWARTOOZSBVSC-JQHSSLGASA-N	1	0	365.518	1.805	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)NCC(C)(C)C)CC1	ZINC001200637057	974852723	/nfs/dbraw/zinc/85/27/23/974852723.db2.gz	PUDBOPYYRLSCRX-SJORKVTESA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]cc1-c1cnn(C)c1)C2	ZINC001110557079	974917464	/nfs/dbraw/zinc/91/74/64/974917464.db2.gz	CLSTVWAHXMKHTG-LZQZEXGQSA-N	1	0	369.469	1.953	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)N1CCCCC1=O)C2	ZINC001110558261	974931742	/nfs/dbraw/zinc/93/17/42/974931742.db2.gz	BEWJKCGSSWVDPC-TVFCKZIOSA-N	1	0	363.502	1.702	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(CCOC)c1C)C2	ZINC001110558746	974934193	/nfs/dbraw/zinc/93/41/93/974934193.db2.gz	VGBIJEROLFLXSV-NXHRZFHOSA-N	1	0	362.474	1.376	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)cc1C#N	ZINC001201303187	975001004	/nfs/dbraw/zinc/00/10/04/975001004.db2.gz	YZRXNWDGWCCYHN-ZWKOTPCHSA-N	1	0	362.499	1.266	20	30		FDEDRO
CC[NH+](CC)C[C@H]1CN(S(=O)(=O)c2ccc(C)c(C#N)c2)CCO1	ZINC001201315978	975006111	/nfs/dbraw/zinc/00/61/11/975006111.db2.gz	SZZVRRGEJHGIHB-INIZCTEOSA-N	1	0	351.472	1.598	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc([C@@H]3CCCN3C)n[nH]1)C2	ZINC001110579660	975287886	/nfs/dbraw/zinc/28/78/86/975287886.db2.gz	FEPXYLAILDZAFO-LTDCPUDJSA-N	1	0	373.501	1.714	20	30		FDEDRO
CCC(C)(C)[NH+]1CCN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CC1	ZINC000847315049	975461537	/nfs/dbraw/zinc/46/15/37/975461537.db2.gz	WIZXVKYCGBBASS-NXVVXOECSA-N	1	0	363.462	1.029	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H](Cc2cccc(C)c2)C(=O)OC)CC1	ZINC000106781312	975500644	/nfs/dbraw/zinc/50/06/44/975500644.db2.gz	VPBPAPUIIKKLPL-LJQANCHMSA-N	1	0	356.466	1.788	20	30		FDEDRO
C#C[C@H]1CCCN(C(=O)C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)C1	ZINC000847562331	975831049	/nfs/dbraw/zinc/83/10/49/975831049.db2.gz	JECVBKYIFHYBKK-YOEHRIQHSA-N	1	0	355.438	1.882	20	30		FDEDRO
C#C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)C1	ZINC000847564106	975834735	/nfs/dbraw/zinc/83/47/35/975834735.db2.gz	PLQDJOVELVFUIM-CQSZACIVSA-N	1	0	361.417	1.576	20	30		FDEDRO
C#CCN(Cc1ccc(F)cc1)S(=O)(=O)CCCN1CC[NH+](C)CC1	ZINC000866645097	975864302	/nfs/dbraw/zinc/86/43/02/975864302.db2.gz	WVRQKRATCHCKCY-UHFFFAOYSA-N	1	0	367.490	1.228	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000967663451	1014300144	/nfs/dbraw/zinc/30/01/44/1014300144.db2.gz	KALQRWKGMJUEIB-KSZLIROESA-N	1	0	363.502	1.513	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1	ZINC000866779923	976035307	/nfs/dbraw/zinc/03/53/07/976035307.db2.gz	WRQXRVHJBDUBLR-GXFFZTMASA-N	1	0	365.352	1.845	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3cc(F)cc(C#N)c3)CC2)C1	ZINC000866793905	976059102	/nfs/dbraw/zinc/05/91/02/976059102.db2.gz	LGFUHZDNWNMBKZ-MRXNPFEDSA-N	1	0	366.462	1.098	20	30		FDEDRO
C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC[C@H]1CC[N@H+](C)C1	ZINC000847823187	976069359	/nfs/dbraw/zinc/06/93/59/976069359.db2.gz	DFEUDVNTUIIZEM-ZIAGYGMSSA-N	1	0	365.455	1.110	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)OCC[C@H]2CC[N@@H+](C)C2)c1	ZINC000847829500	976076499	/nfs/dbraw/zinc/07/64/99/976076499.db2.gz	KJYRJHQXOOLLDN-CQSZACIVSA-N	1	0	352.456	1.650	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1C(=O)CNC1=O	ZINC001110603619	976895821	/nfs/dbraw/zinc/89/58/21/976895821.db2.gz	LPGULKWSEWHXNT-KFWWJZLASA-N	1	0	362.474	1.252	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCCNC(=O)c1ccccc1F	ZINC000867946890	977126891	/nfs/dbraw/zinc/12/68/91/977126891.db2.gz	WROHRDXFRMAOMG-GOSISDBHSA-N	1	0	366.396	1.430	20	30		FDEDRO
COC(=O)[C@H](NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)c1ccccc1F	ZINC000867953276	977133995	/nfs/dbraw/zinc/13/39/95/977133995.db2.gz	RQTUJQKXMDJMGP-ZWKOTPCHSA-N	1	0	367.380	1.915	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1C#N	ZINC000848937320	977261832	/nfs/dbraw/zinc/26/18/32/977261832.db2.gz	NNCORHRUCVIRIL-IAGOWNOFSA-N	1	0	370.453	1.316	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1ccc(OC(C)C)c(OC)c1	ZINC000849060907	977299114	/nfs/dbraw/zinc/29/91/14/977299114.db2.gz	ZPLGDSHWRCAHSJ-UHFFFAOYSA-N	1	0	364.490	1.480	20	30		FDEDRO
N#Cc1cc(NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)ccc1F	ZINC000868118476	977300124	/nfs/dbraw/zinc/30/01/24/977300124.db2.gz	RABZZTSLBJMDPS-YUELXQCFSA-N	1	0	359.361	1.096	20	30		FDEDRO
CNC(N[C@@H]1CCN([C@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O)=[NH+]C	ZINC000849089984	977309678	/nfs/dbraw/zinc/30/96/78/977309678.db2.gz	OVHUTHPCFWGHPC-CABCVRRESA-N	1	0	360.458	1.465	20	30		FDEDRO
C[C@@H]1CN(C(=[NH2+])NCCCc2nn(-c3ccccc3)c(N)c2C#N)CCO1	ZINC000849095287	977313500	/nfs/dbraw/zinc/31/35/00/977313500.db2.gz	QNXAVCIQBMRSAK-CQSZACIVSA-N	1	0	367.457	1.504	20	30		FDEDRO
CN1CCN(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)[C@H](C[NH3+])C1	ZINC000868208989	977346309	/nfs/dbraw/zinc/34/63/09/977346309.db2.gz	FGWVOYHQHQZFJQ-ZIAGYGMSSA-N	1	0	355.364	1.446	20	30		FDEDRO
N#Cc1cccc([C@@H](NC(=O)NC[C@@H]2C[NH2+]CCCO2)C(F)(F)F)c1	ZINC000868209094	977346950	/nfs/dbraw/zinc/34/69/50/977346950.db2.gz	HDEWQFHAGBDOEL-UONOGXRCSA-N	1	0	356.348	1.839	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1C#N	ZINC000868255573	977400967	/nfs/dbraw/zinc/40/09/67/977400967.db2.gz	FIXMFGGFMYGUST-OAHLLOKOSA-N	1	0	370.453	1.744	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCCN(C(=O)CC(C)C)CC2)CC1	ZINC000868284352	977444317	/nfs/dbraw/zinc/44/43/17/977444317.db2.gz	VBQSALXZXHNDRY-UHFFFAOYSA-N	1	0	350.507	1.927	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)cc1	ZINC000108609636	977606907	/nfs/dbraw/zinc/60/69/07/977606907.db2.gz	YIEPLAZAWMMLMZ-UHFFFAOYSA-N	1	0	355.438	1.724	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1	ZINC000122151921	977621414	/nfs/dbraw/zinc/62/14/14/977621414.db2.gz	GAGMBANDQOHLIN-CRAIPNDOSA-N	1	0	355.438	1.580	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NCCC1CC[NH+](Cc2ccccc2)CC1	ZINC000868482008	977700240	/nfs/dbraw/zinc/70/02/40/977700240.db2.gz	QIALFYPICFOEME-UHFFFAOYSA-N	1	0	358.486	1.890	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1	ZINC000645483008	1014430796	/nfs/dbraw/zinc/43/07/96/1014430796.db2.gz	MXSUELQGZGDODT-NFOMZHRRSA-N	1	0	361.408	1.865	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CCC([NH+]2CCN(C)CC2)CC1)c1ccc(F)cc1	ZINC000868635933	977847407	/nfs/dbraw/zinc/84/74/07/977847407.db2.gz	FIGBTYHMHJOTCQ-LJQANCHMSA-N	1	0	358.461	1.921	20	30		FDEDRO
C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CC[C@@](C)(C#N)C3)cc2)CC1	ZINC000850702012	978628956	/nfs/dbraw/zinc/62/89/56/978628956.db2.gz	UNESFPCDMKFXQB-FQEVSTJZSA-N	1	0	369.469	1.529	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1C#N	ZINC000776496618	978693754	/nfs/dbraw/zinc/69/37/54/978693754.db2.gz	BDEGLFTVULOBGF-NVXWUHKLSA-N	1	0	350.440	1.393	20	30		FDEDRO
COc1ccc(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1C#N	ZINC000776496619	978693846	/nfs/dbraw/zinc/69/38/46/978693846.db2.gz	BDEGLFTVULOBGF-RDJZCZTQSA-N	1	0	350.440	1.393	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1	ZINC000850899803	978714363	/nfs/dbraw/zinc/71/43/63/978714363.db2.gz	YBMIYOHVEUTLAZ-VBKZILBWSA-N	1	0	371.437	1.632	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1	ZINC000968001016	1014537932	/nfs/dbraw/zinc/53/79/32/1014537932.db2.gz	MQJLNIHZEGSKJD-KSZLIROESA-N	1	0	363.502	1.367	20	30		FDEDRO
CC[C@@H](C#N)Oc1cc(CNC(=O)NCC23CC(C2)C[NH2+]3)ccc1OC	ZINC000851657212	978986623	/nfs/dbraw/zinc/98/66/23/978986623.db2.gz	YCFQPDVVXHLLAP-HVEKOLDVSA-N	1	0	358.442	1.927	20	30		FDEDRO
N#Cc1sccc1N1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1	ZINC000851668757	978990852	/nfs/dbraw/zinc/99/08/52/978990852.db2.gz	UNGYDZWLRWVPSP-ZDUSSCGKSA-N	1	0	355.414	1.449	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1CC[C@@]2(C1)C[N@H+](Cc1ccccc1)C[C@H](C)O2	ZINC000880502638	979253680	/nfs/dbraw/zinc/25/36/80/979253680.db2.gz	SLBBCNHRUGMEAP-WFXMLNOXSA-N	1	0	355.482	1.490	20	30		FDEDRO
C#C[C@@](C)(CC)[NH2+]CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1	ZINC000852096409	979348784	/nfs/dbraw/zinc/34/87/84/979348784.db2.gz	BGXXZSZPSCMJIB-YOEHRIQHSA-N	1	0	368.524	1.655	20	30		FDEDRO
C#C[C@](C)(CC)[NH2+]CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1	ZINC000852096407	979348866	/nfs/dbraw/zinc/34/88/66/979348866.db2.gz	BGXXZSZPSCMJIB-WMLDXEAASA-N	1	0	368.524	1.655	20	30		FDEDRO
C#C[C@@](C)(CC)[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br	ZINC000852100258	979349925	/nfs/dbraw/zinc/34/99/25/979349925.db2.gz	GJSNJFCVJWKLEP-INIZCTEOSA-N	1	0	366.259	1.895	20	30		FDEDRO
C#C[C@](C)(CC)[NH2+][C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852102547	979350916	/nfs/dbraw/zinc/35/09/16/979350916.db2.gz	YYFZVNOKTFDACQ-OGHNNQOOSA-N	1	0	351.472	1.291	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1	ZINC001114829184	1014599658	/nfs/dbraw/zinc/59/96/58/1014599658.db2.gz	RWKPYILSAJIUPN-IGKNDFSCSA-N	1	0	361.486	1.169	20	30		FDEDRO
C=C[C@](C)(O)c1cn([C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1	ZINC000881277236	979800103	/nfs/dbraw/zinc/80/01/03/979800103.db2.gz	DMVWBJGFSHPSKI-MDYRTPRTSA-N	1	0	369.469	1.623	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1	ZINC000968081862	1014626329	/nfs/dbraw/zinc/62/63/29/1014626329.db2.gz	YKAUKQCWTQOMOD-KURKYZTESA-N	1	0	359.514	1.826	20	30		FDEDRO
CN(CCCN1CC[NH+](C)CC1)c1ncc(C#N)cc1Br	ZINC000881962489	980330597	/nfs/dbraw/zinc/33/05/97/980330597.db2.gz	DGUQLVDOIDOJLU-UHFFFAOYSA-N	1	0	352.280	1.789	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cnc(N3C[C@H]4CC[C@@H](C3)O4)nc2)CC1	ZINC000882200180	980475903	/nfs/dbraw/zinc/47/59/03/980475903.db2.gz	DDTSUNHSNCZFPW-CALCHBBNSA-N	1	0	355.442	1.128	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000882378907	980599699	/nfs/dbraw/zinc/59/96/99/980599699.db2.gz	KRJPKURJGBZQML-FQEVSTJZSA-N	1	0	369.509	1.617	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)CCN1c1cc[nH+]cc1	ZINC000882620810	980761000	/nfs/dbraw/zinc/76/10/00/980761000.db2.gz	WMJRNTKBIROWDD-ZDUSSCGKSA-N	1	0	360.414	1.992	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1	ZINC000882620722	980761038	/nfs/dbraw/zinc/76/10/38/980761038.db2.gz	SVNSMLNYUYHUJA-GJZGRUSLSA-N	1	0	351.476	1.318	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCn2c(Cc3cccc(F)c3F)nnc2C1	ZINC000857993506	981788384	/nfs/dbraw/zinc/78/83/84/981788384.db2.gz	UITRIEPBEOHENL-UHFFFAOYSA-N	1	0	361.396	1.607	20	30		FDEDRO
COc1ccc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1OC1CC1	ZINC000858137012	981854574	/nfs/dbraw/zinc/85/45/74/981854574.db2.gz	CVRLDSQVEDKNQM-VHEBQXMUSA-N	1	0	357.410	1.852	20	30		FDEDRO
N#CCc1cccc2c1CCN(C(=O)NC[C@@H]1C[N@@H+]3CCC[C@H]3CO1)C2	ZINC000858191924	981903883	/nfs/dbraw/zinc/90/38/83/981903883.db2.gz	FGALOOXLSLMBBD-ZWKOTPCHSA-N	1	0	354.454	1.684	20	30		FDEDRO
C#CC[N@H+](C)CCCNCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl	ZINC000883131797	981969726	/nfs/dbraw/zinc/96/97/26/981969726.db2.gz	SQDFCYRDAPBAIB-CQSZACIVSA-N	1	0	372.922	1.249	20	30		FDEDRO
C=CCC[C@H](CO)[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl	ZINC000883139020	981974881	/nfs/dbraw/zinc/97/48/81/981974881.db2.gz	YALCWTIRIYDOFQ-CHWSQXEVSA-N	1	0	361.895	1.621	20	30		FDEDRO
CC(=O)NC[C@H]1CCC[N@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1	ZINC000131091306	981980201	/nfs/dbraw/zinc/98/02/01/981980201.db2.gz	YVAQVMGDSWFCTB-QGZVFWFLSA-N	1	0	352.442	1.931	20	30		FDEDRO
C=CCC[C@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)[C@H]1CCCO1	ZINC000883205218	982013203	/nfs/dbraw/zinc/01/32/03/982013203.db2.gz	RKKXONKTMZAJQM-OKZBNKHCSA-N	1	0	351.491	1.023	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1C1CC1	ZINC000883610231	982307683	/nfs/dbraw/zinc/30/76/83/982307683.db2.gz	QLJXXSAVHZLKNX-CWRNSKLLSA-N	1	0	352.438	1.878	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)n1	ZINC000883610796	982307811	/nfs/dbraw/zinc/30/78/11/982307811.db2.gz	DOOBYVGDNQYXFW-HNNXBMFYSA-N	1	0	355.442	1.324	20	30		FDEDRO
C#C[C@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCCO1	ZINC000883627342	982323906	/nfs/dbraw/zinc/32/39/06/982323906.db2.gz	YSOJHEJRLSPYDV-RBUKOAKNSA-N	1	0	356.470	1.418	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1	ZINC000859017003	982459626	/nfs/dbraw/zinc/45/96/26/982459626.db2.gz	BZGHIZYCSQERRL-SFHVURJKSA-N	1	0	351.491	1.559	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1	ZINC000859033311	982469248	/nfs/dbraw/zinc/46/92/48/982469248.db2.gz	ZXMIIMMWCPXEMP-QGZVFWFLSA-N	1	0	350.507	1.274	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1	ZINC000859033310	982469439	/nfs/dbraw/zinc/46/94/39/982469439.db2.gz	ZXMIIMMWCPXEMP-KRWDZBQOSA-N	1	0	350.507	1.274	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]CCNC(=O)NC(C)(C)C)CC1	ZINC001202559967	982560280	/nfs/dbraw/zinc/56/02/80/982560280.db2.gz	VYIJBNMTRFGTIW-CVEARBPZSA-N	1	0	366.506	1.256	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1	ZINC000859132303	982562027	/nfs/dbraw/zinc/56/20/27/982562027.db2.gz	TWZUFCAGBABCRM-JKSUJKDBSA-N	1	0	361.442	1.897	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000859131291	982562186	/nfs/dbraw/zinc/56/21/86/982562186.db2.gz	NWRSUTOCAOYCDZ-GJZGRUSLSA-N	1	0	353.463	1.657	20	30		FDEDRO
CC(C)(C)N(CCS(C)(=O)=O)C[C@@H](O)COc1ccccc1C#N	ZINC000859167112	982591786	/nfs/dbraw/zinc/59/17/86/982591786.db2.gz	ALVRXZWAQXEPCI-OAHLLOKOSA-N	1	0	354.472	1.443	20	30		FDEDRO
COC(=O)[C@]1(c2ccccc2)CC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000859312031	982702948	/nfs/dbraw/zinc/70/29/48/982702948.db2.gz	GKZOBPOWPKOCJD-GHTZIAJQSA-N	1	0	372.465	1.874	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NCC1([NH+]2CCCCC2)CCCCC1	ZINC000884053110	982770189	/nfs/dbraw/zinc/77/01/89/982770189.db2.gz	LYZSGAHCPUOBIN-INIZCTEOSA-N	1	0	351.491	1.738	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1cccc(CN3CCCC3=O)c1)C2	ZINC000884077022	982828019	/nfs/dbraw/zinc/82/80/19/982828019.db2.gz	WUZHMABICCMCTB-IDYZSHNDSA-N	1	0	366.465	1.565	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCN(C(=O)NC3CCCCC3)CC1)C2	ZINC000884085969	982842994	/nfs/dbraw/zinc/84/29/94/982842994.db2.gz	JAEGDYHAPUGQAU-LFDOHDQPSA-N	1	0	373.501	1.312	20	30		FDEDRO
CC[N@H+](CCNC(=O)OC(C)(C)C)C[C@@H](O)CC1(C#N)CCOCC1	ZINC000859532739	982901613	/nfs/dbraw/zinc/90/16/13/982901613.db2.gz	IIBWMIYEKVDBFR-HNNXBMFYSA-N	1	0	355.479	1.904	20	30		FDEDRO
CC(C)Oc1cccc([C@@H](O)CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c1	ZINC000884144574	982925126	/nfs/dbraw/zinc/92/51/26/982925126.db2.gz	NWHRIMJWJVZHPN-WXNRQPJFSA-N	1	0	357.454	1.763	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCc2ccccc21)N1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000133872057	982940745	/nfs/dbraw/zinc/94/07/45/982940745.db2.gz	KGGPHNKJWYLHAD-PKOBYXMFSA-N	1	0	370.497	1.615	20	30		FDEDRO
C[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1cn(-c2ccccc2)nn1	ZINC000884174260	982946969	/nfs/dbraw/zinc/94/69/69/982946969.db2.gz	MOANJIZJZUYVIY-RQMAVPSVSA-N	1	0	350.426	1.584	20	30		FDEDRO
COc1ccc(N2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CC2)cc1	ZINC000884176432	982948928	/nfs/dbraw/zinc/94/89/28/982948928.db2.gz	FRHRAGBJEIUZAZ-LFDOHDQPSA-N	1	0	354.454	1.483	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1	ZINC000884185675	982961058	/nfs/dbraw/zinc/96/10/58/982961058.db2.gz	CSPXJZNSRCALNC-APWZRJJASA-N	1	0	373.497	1.981	20	30		FDEDRO
CN(C)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1c(F)cccc1F	ZINC000884223849	982998057	/nfs/dbraw/zinc/99/80/57/982998057.db2.gz	ZSGNAHANUMHAGN-VASJYLSYSA-N	1	0	362.424	1.823	20	30		FDEDRO
C[C@@H](c1cccnc1)N1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1	ZINC000884236341	983013700	/nfs/dbraw/zinc/01/37/00/983013700.db2.gz	SCFLJUFVSSRMLE-DGZYCVBISA-N	1	0	353.470	1.426	20	30		FDEDRO
COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884307888	983071783	/nfs/dbraw/zinc/07/17/83/983071783.db2.gz	XWFCOURTHOLZNP-RXCRORICSA-N	1	0	353.422	1.252	20	30		FDEDRO
C[C@H](O)[C@@](C)(CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)Cc1ccccc1	ZINC000884327247	983087874	/nfs/dbraw/zinc/08/78/74/983087874.db2.gz	NTYLVHOGMTYRGS-QOYZNOFASA-N	1	0	355.482	1.872	20	30		FDEDRO
CC(=O)N1CC[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c2ccccc21	ZINC000884326549	983088034	/nfs/dbraw/zinc/08/80/34/983088034.db2.gz	WKKMUUGEZTZPMF-GLEGPSONSA-N	1	0	352.438	1.740	20	30		FDEDRO
CC1(C#N)CCN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC1	ZINC000332718228	983105038	/nfs/dbraw/zinc/10/50/38/983105038.db2.gz	ZYQHSMYGRGXQAP-JKSUJKDBSA-N	1	0	358.417	1.231	20	30		FDEDRO
COC(=O)[C@@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[C@H]2CCCC[C@@H]12	ZINC000884405344	983140883	/nfs/dbraw/zinc/14/08/83/983140883.db2.gz	NRQFGVCNEKPOHP-XJFKRBJFSA-N	1	0	359.470	1.706	20	30		FDEDRO
N#Cc1ccc(F)c(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2CCOCC2)C3)c1	ZINC001095329461	983147112	/nfs/dbraw/zinc/14/71/12/983147112.db2.gz	MRLJXPPOVZEEOQ-NEWSRXKRSA-N	1	0	372.444	1.251	20	30		FDEDRO
C[C@]1(c2cccc(C#N)c2)NC(=O)N(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)C1=O	ZINC000884482384	983184572	/nfs/dbraw/zinc/18/45/72/983184572.db2.gz	APRYIZVNYFIDOO-RIFZZMRRSA-N	1	0	368.437	1.784	20	30		FDEDRO
C[C@]1(c2cccc(C#N)c2)NC(=O)N(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)C1=O	ZINC000884482383	983184710	/nfs/dbraw/zinc/18/47/10/983184710.db2.gz	APRYIZVNYFIDOO-OXFYSEKESA-N	1	0	368.437	1.784	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)c1ccc(C#N)cc1	ZINC000884541441	983233023	/nfs/dbraw/zinc/23/30/23/983233023.db2.gz	DYWIQWUXZPKYJH-IFXJQAMLSA-N	1	0	362.433	1.566	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1)c1ccc(C#N)cc1	ZINC000884541642	983233041	/nfs/dbraw/zinc/23/30/41/983233041.db2.gz	KCXYYEVYKMNPKB-JLTOFOAXSA-N	1	0	356.470	1.959	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1COc3ccccc3C1)C2	ZINC001110785327	983440690	/nfs/dbraw/zinc/44/06/90/983440690.db2.gz	PLOZIZHZEQIUIF-MKXGPGLRSA-N	1	0	354.450	1.609	20	30		FDEDRO
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])c1C	ZINC000861542895	983771668	/nfs/dbraw/zinc/77/16/68/983771668.db2.gz	VNXDTDCIVAPCKE-NSHDSACASA-N	1	0	354.414	1.105	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N[C@]1(CO)CCc2cc(Br)ccc2C1	ZINC000862772899	984528119	/nfs/dbraw/zinc/52/81/19/984528119.db2.gz	ZAILKZVLAPQJAO-QGZVFWFLSA-N	1	0	367.287	1.903	20	30		FDEDRO
CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@]1(C#N)CCCOC1	ZINC000868873633	984656071	/nfs/dbraw/zinc/65/60/71/984656071.db2.gz	QASBXZMUEXLECA-SBHAEUEKSA-N	1	0	371.481	1.960	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)cc1	ZINC000884730337	984736776	/nfs/dbraw/zinc/73/67/76/984736776.db2.gz	GOVXQTZQGMDYGN-HXUWFJFHSA-N	1	0	354.454	1.361	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1	ZINC000884778296	984779832	/nfs/dbraw/zinc/77/98/32/984779832.db2.gz	RQALADGXAFNTDT-QWRGUYRKSA-N	1	0	353.410	1.008	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1	ZINC000884855353	984891806	/nfs/dbraw/zinc/89/18/06/984891806.db2.gz	DNCVAWHRAPFCPN-BBWFWOEESA-N	1	0	365.518	1.840	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)NC1CC[NH+](C[C@@H]3CCCO3)CC1)C2	ZINC000869190130	984933217	/nfs/dbraw/zinc/93/32/17/984933217.db2.gz	YRHRXFRURHOPCW-UXHICEINSA-N	1	0	368.481	1.968	20	30		FDEDRO
CC[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)[C@]3(C#N)CCCOC3)C2)ccn1	ZINC000869350290	985044495	/nfs/dbraw/zinc/04/44/95/985044495.db2.gz	YMKBNRMOSBDFOO-ICSRJNTNSA-N	1	0	372.469	1.833	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2	ZINC000885137880	985198158	/nfs/dbraw/zinc/19/81/58/985198158.db2.gz	KOALZIMCFGCGIE-IKGGRYGDSA-N	1	0	363.502	1.512	20	30		FDEDRO
C#CCN(C(=O)NCCOCC(=O)OC(C)(C)C)C1CC[NH+](C)CC1	ZINC000923612517	985219841	/nfs/dbraw/zinc/21/98/41/985219841.db2.gz	FMBRQVJSJZWREB-UHFFFAOYSA-N	1	0	353.463	1.084	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1ccc(CCC#N)cc1	ZINC000885191339	985231168	/nfs/dbraw/zinc/23/11/68/985231168.db2.gz	MRBDQVQPZZEHGR-UHFFFAOYSA-N	1	0	352.504	1.305	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F	ZINC000885275720	985280050	/nfs/dbraw/zinc/28/00/50/985280050.db2.gz	JNPQKSHIGFCKSK-HNNXBMFYSA-N	1	0	351.397	1.562	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2ccc(CCC#N)cc2)CCO1	ZINC000885311118	985323010	/nfs/dbraw/zinc/32/30/10/985323010.db2.gz	NNKGEZNVXNIZRT-KRWDZBQOSA-N	1	0	365.499	1.874	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC([C@H](C)CO)CC2)CC1	ZINC000653393052	1015119207	/nfs/dbraw/zinc/11/92/07/1015119207.db2.gz	RBOQFOOWLDJPOL-OAHLLOKOSA-N	1	0	351.491	1.010	20	30		FDEDRO
N#Cc1cccc(-n2ccc(C(=O)NC[C@@H]3CC[N@@H+]3C3CCOCC3)n2)c1	ZINC000885882397	985745721	/nfs/dbraw/zinc/74/57/21/985745721.db2.gz	HNJMJIZUKSDHEL-SFHVURJKSA-N	1	0	365.437	1.727	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC(=O)c2cncc(Br)c2)CC1	ZINC000870241044	985833319	/nfs/dbraw/zinc/83/33/19/985833319.db2.gz	UIHLSTSKFKAGQQ-UHFFFAOYSA-N	1	0	364.243	1.488	20	30		FDEDRO
CN1CCN(C(=O)CC2CC[NH+](C[C@@H](O)CC3(C#N)CCC3)CC2)CC1	ZINC000886065011	985856163	/nfs/dbraw/zinc/85/61/63/985856163.db2.gz	NCUHYMOWTVJCCK-SFHVURJKSA-N	1	0	362.518	1.307	20	30		FDEDRO
CCO[C@H](CNC(=O)NC1CCN(c2ccccc2C#N)CC1)C[NH+](C)C	ZINC000923619648	985966618	/nfs/dbraw/zinc/96/66/18/985966618.db2.gz	ZTXPPJVUPWMOMO-GOSISDBHSA-N	1	0	373.501	1.793	20	30		FDEDRO
CNC(=O)c1cc(O[C@H]2CCC[N@H+](C[C@H](O)CC3(C#N)CCC3)C2)ccn1	ZINC000886267115	986013933	/nfs/dbraw/zinc/01/39/33/986013933.db2.gz	GEIYRHAYSRNXHJ-WBVHZDCISA-N	1	0	372.469	1.729	20	30		FDEDRO
C#CC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1	ZINC000886359696	986097792	/nfs/dbraw/zinc/09/77/92/986097792.db2.gz	ILJKZDUEJVYWNK-GJZGRUSLSA-N	1	0	363.483	1.609	20	30		FDEDRO
CC(C)[C@@H](C[NH+](C)C)OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000870567807	986126179	/nfs/dbraw/zinc/12/61/79/986126179.db2.gz	COPPTTUHVVVIJF-CZUORRHYSA-N	1	0	367.471	1.354	20	30		FDEDRO
CC(C)[C@H](C[NH+](C)C)OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000870570508	986127266	/nfs/dbraw/zinc/12/72/66/986127266.db2.gz	BUXAMVZBSIOMKM-INIZCTEOSA-N	1	0	367.471	1.622	20	30		FDEDRO
C#CCC[NH+]1CCC(NS(=O)(=O)c2cccc3c2CCN(C)C3)CC1	ZINC000886408422	986168731	/nfs/dbraw/zinc/16/87/31/986168731.db2.gz	GSWBZZBATXIJLO-UHFFFAOYSA-N	1	0	361.511	1.441	20	30		FDEDRO
C#CCN(C(=O)c1ccc2c(c1)N[C@H](C)CC(=O)N2)C1CC[NH+](C)CC1	ZINC000886572548	986372398	/nfs/dbraw/zinc/37/23/98/986372398.db2.gz	PPRSHVAMYZMFJZ-CQSZACIVSA-N	1	0	354.454	1.999	20	30		FDEDRO
C#CCN(C(=O)c1cc[nH]c(=O)c1Br)C1CC[NH+](C)CC1	ZINC000886577676	986378436	/nfs/dbraw/zinc/37/84/36/986378436.db2.gz	SDTFYLFHCLPOBJ-UHFFFAOYSA-N	1	0	352.232	1.719	20	30		FDEDRO
C#CCN(C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)N2C)C1CC[NH+](C)CC1	ZINC000886580062	986381856	/nfs/dbraw/zinc/38/18/56/986381856.db2.gz	UCLNHLFMJOBJTA-CQSZACIVSA-N	1	0	354.454	1.633	20	30		FDEDRO
C#CCN(C(=O)[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C1CC[NH+](C)CC1	ZINC000886579807	986382399	/nfs/dbraw/zinc/38/23/99/986382399.db2.gz	ITXOEOJDMFOVAT-HNNXBMFYSA-N	1	0	362.495	1.750	20	30		FDEDRO
C#CCN(C(=O)[C@H](C)n1nnc(-c2ccccc2)n1)C1CC[NH+](C)CC1	ZINC000886580995	986383721	/nfs/dbraw/zinc/38/37/21/986383721.db2.gz	GABVZUBPWUWTPY-HNNXBMFYSA-N	1	0	352.442	1.457	20	30		FDEDRO
C#CCN(C(=O)CCC(=O)N1CCOc2ccccc21)C1CC[NH+](C)CC1	ZINC000886582359	986386266	/nfs/dbraw/zinc/38/62/66/986386266.db2.gz	RKRQYFFYQOYFSO-UHFFFAOYSA-N	1	0	369.465	1.748	20	30		FDEDRO
C=CCC1(O)CC[NH+](CCC(=O)N2CCN(c3ccccn3)CC2)CC1	ZINC000886764555	986566651	/nfs/dbraw/zinc/56/66/51/986566651.db2.gz	WGORZBKIKRRRMQ-UHFFFAOYSA-N	1	0	358.486	1.523	20	30		FDEDRO
C=CCC1(O)CC[NH+]([C@H](C)C(=O)NCCc2ccc3c(c2)OCCO3)CC1	ZINC000886772327	986575561	/nfs/dbraw/zinc/57/55/61/986575561.db2.gz	WZYKTLUGZBSKIE-MRXNPFEDSA-N	1	0	374.481	1.908	20	30		FDEDRO
C=CCC1(O)CC[NH+]([C@@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)CC1	ZINC000886772116	986575689	/nfs/dbraw/zinc/57/56/89/986575689.db2.gz	SRCOMPCQSDCMQI-HNNXBMFYSA-N	1	0	360.454	1.881	20	30		FDEDRO
C=CCn1c(-c2ncccn2)nnc1N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000871051448	986618742	/nfs/dbraw/zinc/61/87/42/986618742.db2.gz	CCOCPUQWPADRRO-UHFFFAOYSA-N	1	0	368.489	1.137	20	30		FDEDRO
COCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1	ZINC000871081671	986652115	/nfs/dbraw/zinc/65/21/15/986652115.db2.gz	AVEGWWSYHSWFFR-ZWKOTPCHSA-N	1	0	366.469	1.994	20	30		FDEDRO
C#CCOCC[N@@H+]1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1	ZINC000886883845	986687188	/nfs/dbraw/zinc/68/71/88/986687188.db2.gz	OCJKCPLOSUHBBJ-XAUUPUKJSA-N	1	0	351.443	1.479	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1Cl	ZINC000871814170	987266954	/nfs/dbraw/zinc/26/69/54/987266954.db2.gz	QFODAJHOWFONFU-MWLCHTKSSA-N	1	0	367.780	1.969	20	30		FDEDRO
N#Cc1ccccc1N1CCC([NH2+]C[C@H](O)COC2CCOCC2)CC1	ZINC000872222235	987524106	/nfs/dbraw/zinc/52/41/06/987524106.db2.gz	QKYHGVAYIYDUJB-SFHVURJKSA-N	1	0	359.470	1.673	20	30		FDEDRO
C#CCCC[N@H+]1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1	ZINC000872296702	987580683	/nfs/dbraw/zinc/58/06/83/987580683.db2.gz	WTCMHZMWYIPLOZ-XHSDSOJGSA-N	1	0	363.458	1.914	20	30		FDEDRO
C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N	ZINC000796574258	1015319820	/nfs/dbraw/zinc/31/98/20/1015319820.db2.gz	HTQAYFYACXCEFT-LXZKKBNFSA-N	1	0	366.421	1.695	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)Cn1nc(CC#N)n(C)c1=S	ZINC000872631961	987885767	/nfs/dbraw/zinc/88/57/67/987885767.db2.gz	OZDPZXVVOSTKFI-UHFFFAOYSA-N	1	0	352.508	1.265	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2	ZINC000293225840	987996844	/nfs/dbraw/zinc/99/68/44/987996844.db2.gz	DOTGCJLTYWFQGY-IBGZPJMESA-N	1	0	356.426	1.450	20	30		FDEDRO
C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccc(C#N)cn2)C1	ZINC000293253130	988006276	/nfs/dbraw/zinc/00/62/76/988006276.db2.gz	ZGAYDXPIMUYHQC-ZIAGYGMSSA-N	1	0	357.458	1.764	20	30		FDEDRO
C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(C#N)cn2)C1	ZINC000293253124	988006361	/nfs/dbraw/zinc/00/63/61/988006361.db2.gz	ZGAYDXPIMUYHQC-OKILXGFUSA-N	1	0	357.458	1.764	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(NC(=O)C2CC2)ccc1C	ZINC000293315498	988031173	/nfs/dbraw/zinc/03/11/73/988031173.db2.gz	ILQYPGIFRQJTMR-UHFFFAOYSA-N	1	0	370.453	1.353	20	30		FDEDRO
C=CCc1cc(OC)cc(C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)c1O	ZINC000872795754	988075643	/nfs/dbraw/zinc/07/56/43/988075643.db2.gz	NKCNNWMWTSFRGQ-GOEBONIOSA-N	1	0	351.468	1.996	20	30		FDEDRO
C=CCc1cc(OC)cc(C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)c1O	ZINC000872795753	988075838	/nfs/dbraw/zinc/07/58/38/988075838.db2.gz	NKCNNWMWTSFRGQ-GDBMZVCRSA-N	1	0	351.468	1.996	20	30		FDEDRO
N#CCOc1ccc(/C=C/C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1	ZINC000360584790	988080610	/nfs/dbraw/zinc/08/06/10/988080610.db2.gz	OIKCVVFYZGPOGW-YLXGYYMFSA-N	1	0	355.438	1.660	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)c3ccccc3O)CC2)CC1	ZINC000299152727	988174114	/nfs/dbraw/zinc/17/41/14/988174114.db2.gz	NKTFPLUWIKFERG-UHFFFAOYSA-N	1	0	355.438	1.022	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000299179809	988207254	/nfs/dbraw/zinc/20/72/54/988207254.db2.gz	UYVMXEHRXKYXOL-ZBFHGGJFSA-N	1	0	356.426	1.638	20	30		FDEDRO
C#CCN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1	ZINC000299224105	988247506	/nfs/dbraw/zinc/24/75/06/988247506.db2.gz	XICTYHNVYWPXHY-UHFFFAOYSA-N	1	0	369.387	1.687	20	30		FDEDRO
CC(=O)N1CCC[C@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000365980721	988279877	/nfs/dbraw/zinc/27/98/77/988279877.db2.gz	IVLDIYNFFZPKFU-SFHVURJKSA-N	1	0	354.454	1.672	20	30		FDEDRO
C[NH+](C)CCn1ccc(NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)n1	ZINC000361168639	988287487	/nfs/dbraw/zinc/28/74/87/988287487.db2.gz	KJFZVWDCCGTIQS-QGZVFWFLSA-N	1	0	368.441	1.922	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C[N@@H+]1C1CC1	ZINC000872932919	988304374	/nfs/dbraw/zinc/30/43/74/988304374.db2.gz	RVHHFMXTHGKXGU-GOEBONIOSA-N	1	0	354.458	1.410	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC000872937044	988308113	/nfs/dbraw/zinc/30/81/13/988308113.db2.gz	CKPOTYZVGQZRFC-KBXCAEBGSA-N	1	0	354.458	1.268	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(CC(=O)N(CCC#N)c3ccccc3)CC2)C1	ZINC000361432102	988380292	/nfs/dbraw/zinc/38/02/92/988380292.db2.gz	ZUUWMUZKASZIPU-FQEVSTJZSA-N	1	0	369.513	1.645	20	30		FDEDRO
C[C@@H]1CCC[N@H+](CCNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000366083210	988380336	/nfs/dbraw/zinc/38/03/36/988380336.db2.gz	UQPVKLZSIGAREW-NVXWUHKLSA-N	1	0	357.458	1.848	20	30		FDEDRO
N#Cc1ccc(Cl)c(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1	ZINC000873108521	988574091	/nfs/dbraw/zinc/57/40/91/988574091.db2.gz	YWZITAYCBVJPMG-NXEZZACHSA-N	1	0	374.750	1.746	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)OC)CC1	ZINC000366430056	988692996	/nfs/dbraw/zinc/69/29/96/988692996.db2.gz	IYIQNAYERMHZBN-KYJSFNMBSA-N	1	0	365.474	1.285	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)CC1	ZINC000363150569	988954632	/nfs/dbraw/zinc/95/46/32/988954632.db2.gz	SFIBRCANMNBASZ-IBGZPJMESA-N	1	0	372.469	1.752	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)cc1C#N	ZINC000873666890	988961322	/nfs/dbraw/zinc/96/13/22/988961322.db2.gz	UAXYSYFSRFOSNP-UHFFFAOYSA-N	1	0	366.421	1.883	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCCN(c3ccccc3C#N)C2)C1	ZINC000363179401	988973923	/nfs/dbraw/zinc/97/39/23/988973923.db2.gz	KKIZXJCEIHTGTI-ROUUACIJSA-N	1	0	371.485	1.547	20	30		FDEDRO
CCN(CC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1)C[C@@H](C)C#N	ZINC000363192364	988982863	/nfs/dbraw/zinc/98/28/63/988982863.db2.gz	CTLMNOKTIGHSJQ-HKUYNNGSSA-N	1	0	358.486	1.485	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000368613496	988999920	/nfs/dbraw/zinc/99/99/20/988999920.db2.gz	JWAWMTWRCPNFDW-JKSUJKDBSA-N	1	0	366.506	1.304	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NC1CC[NH+](C2CCC2)CC1	ZINC000296169524	989008881	/nfs/dbraw/zinc/00/88/81/989008881.db2.gz	LYXJHTKHZYLZQC-UHFFFAOYSA-N	1	0	355.438	1.770	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCc3ccc(OCC#N)cc3)CC2)C1	ZINC000369394038	989050554	/nfs/dbraw/zinc/05/05/54/989050554.db2.gz	FSGNTZNRPZTEPY-GOSISDBHSA-N	1	0	371.485	1.510	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000296231192	989057307	/nfs/dbraw/zinc/05/73/07/989057307.db2.gz	GJOISJHMDYYVFW-UHFFFAOYSA-N	1	0	362.449	1.417	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCCCCC2)C1	ZINC000369513475	989057529	/nfs/dbraw/zinc/05/75/29/989057529.db2.gz	YTDMXRKBPOWDBO-GOSISDBHSA-N	1	0	373.501	1.757	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=O)C2([NH+](C)C)Cc3ccccc3C2)c1	ZINC000369590035	989062210	/nfs/dbraw/zinc/06/22/10/989062210.db2.gz	BIQHEHZHNBZXTR-UHFFFAOYSA-N	1	0	361.445	1.822	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(C#N)c(F)cc1C	ZINC000873734352	989088551	/nfs/dbraw/zinc/08/85/51/989088551.db2.gz	ZALAPSNGXIBELC-UHFFFAOYSA-N	1	0	350.394	1.029	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1C#N	ZINC000873745589	989106380	/nfs/dbraw/zinc/10/63/80/989106380.db2.gz	JMJWVQOYSNEVFI-KRWDZBQOSA-N	1	0	362.455	1.059	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1	ZINC000296306872	989109468	/nfs/dbraw/zinc/10/94/68/989109468.db2.gz	JSTXUJATLIPPJH-QGZVFWFLSA-N	1	0	358.486	1.776	20	30		FDEDRO
N#Cc1ncn(C2CC[NH+](CC(=O)N3CCC[C@H]4CCCC[C@@H]43)CC2)n1	ZINC000369729460	989125859	/nfs/dbraw/zinc/12/58/59/989125859.db2.gz	KPPQWXZVCUDQNH-WBVHZDCISA-N	1	0	356.474	1.968	20	30		FDEDRO
CC[N@H+](CCNC(=O)N1CCN(Cc2ccc(C#N)cc2)C(=O)C1)C1CC1	ZINC000369742452	989136213	/nfs/dbraw/zinc/13/62/13/989136213.db2.gz	RGLSCEXZQNAWGC-UHFFFAOYSA-N	1	0	369.469	1.396	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(C[C@H](O)COc3ccc(C#N)cc3)CC2)C1	ZINC000363416046	989179603	/nfs/dbraw/zinc/17/96/03/989179603.db2.gz	AVCAKMRAGRNSCX-MOPGFXCFSA-N	1	0	358.486	1.010	20	30		FDEDRO
C[NH+](C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)Nc1ccn(CCC#N)n1	ZINC000363424680	989187548	/nfs/dbraw/zinc/18/75/48/989187548.db2.gz	UCKCCMNCUBJSDL-AEFFLSMTSA-N	1	0	352.442	2.536	20	30		FDEDRO
CC(C)N1C(=O)CC[C@H]1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000873816596	989248422	/nfs/dbraw/zinc/24/84/22/989248422.db2.gz	IXCIBQJXIGOVHN-SFHVURJKSA-N	1	0	354.454	1.602	20	30		FDEDRO
N#Cc1cccc(CCNC(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)c1	ZINC000369862928	989251166	/nfs/dbraw/zinc/25/11/66/989251166.db2.gz	JYIMOPVREJQYDW-MOPGFXCFSA-N	1	0	356.470	1.901	20	30		FDEDRO
CN(C)c1cc[nH+]cc1C(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000369895957	989282209	/nfs/dbraw/zinc/28/22/09/989282209.db2.gz	BAUPNGGQRBUTAY-RNODOKPDSA-N	1	0	361.405	1.633	20	30		FDEDRO
Cc1cc(CN2CCC([N@H+](C)CC(=O)N(CCC#N)CCC#N)CC2)on1	ZINC000369904548	989285814	/nfs/dbraw/zinc/28/58/14/989285814.db2.gz	NGLZMDFBIMRBFU-UHFFFAOYSA-N	1	0	372.473	1.535	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCN(c3ccccc3OC)C2)CC1	ZINC000363666608	989380471	/nfs/dbraw/zinc/38/04/71/989380471.db2.gz	PZJZHAKHAZHCIY-KRWDZBQOSA-N	1	0	355.482	1.983	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1	ZINC000363682182	989392092	/nfs/dbraw/zinc/39/20/92/989392092.db2.gz	IZTWFGSUPATDIE-NVXWUHKLSA-N	1	0	359.426	1.169	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@H](CCSC)c1nnc2ccccn21	ZINC000296772532	989404848	/nfs/dbraw/zinc/40/48/48/989404848.db2.gz	GLYUUYHUMIMLPK-OAHLLOKOSA-N	1	0	374.514	1.778	20	30		FDEDRO
Cc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000370124853	989470725	/nfs/dbraw/zinc/47/07/25/989470725.db2.gz	XLDHBNPMTLDZMX-OAHLLOKOSA-N	1	0	352.442	1.800	20	30		FDEDRO
CC(C)[NH+]1CCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1	ZINC000364338709	989542242	/nfs/dbraw/zinc/54/22/42/989542242.db2.gz	MRNHHZZRVACJES-GOSISDBHSA-N	1	0	354.454	1.602	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1sccc1C#N	ZINC000873972074	989550708	/nfs/dbraw/zinc/55/07/08/989550708.db2.gz	XBQGFMNJLBXWMR-UHFFFAOYSA-N	1	0	364.471	1.375	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1	ZINC000297560686	989564122	/nfs/dbraw/zinc/56/41/22/989564122.db2.gz	QNTKTSHKUCSZQQ-QZTJIDSGSA-N	1	0	362.518	1.204	20	30		FDEDRO
CN(C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[C@H]1CCC[C@H]1C#N	ZINC000874052256	989678305	/nfs/dbraw/zinc/67/83/05/989678305.db2.gz	DDSVMQZLHSZABO-RDJZCZTQSA-N	1	0	369.469	1.528	20	30		FDEDRO
C=CCN(C(=O)C(=O)Nc1nocc1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000364756204	989770917	/nfs/dbraw/zinc/77/09/17/989770917.db2.gz	NXPZVSVGSOBSFD-QGZVFWFLSA-N	1	0	368.437	2.211	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2	ZINC000297940795	989786550	/nfs/dbraw/zinc/78/65/50/989786550.db2.gz	ZGKVLZMDNIENKJ-FQEVSTJZSA-N	1	0	359.470	1.781	20	30		FDEDRO
Cn1cc(C(=O)NC2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)cn1	ZINC000370569829	989848611	/nfs/dbraw/zinc/84/86/11/989848611.db2.gz	QIKGZQZIOFBFFW-GOSISDBHSA-N	1	0	353.426	1.220	20	30		FDEDRO
N#Cc1ccc(CNC(=O)CN(Cc2ccc(C(N)=O)cc2)C2CC2)cc1	ZINC000298489658	990130545	/nfs/dbraw/zinc/13/05/45/990130545.db2.gz	XDWHLNXXAQNESU-UHFFFAOYSA-N	1	0	362.433	1.938	20	30		FDEDRO
COC(=O)C1CC[NH+](CCCNC(=O)COc2ccc(C#N)cc2)CC1	ZINC000298509934	990139064	/nfs/dbraw/zinc/13/90/64/990139064.db2.gz	TXSFXYIUEJOJQA-UHFFFAOYSA-N	1	0	359.426	1.328	20	30		FDEDRO
C[C@@]12CN(C(=O)Cn3cnc(C#N)n3)C[C@@H]1C[N@H+](Cc1ccccc1)C2	ZINC000874511110	990342081	/nfs/dbraw/zinc/34/20/81/990342081.db2.gz	LNBFPUABHHCEGF-QFBILLFUSA-N	1	0	350.426	1.130	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH+]2CCC([C@@]3(C)NC(=O)NC3=O)CC2)cc1	ZINC000371331389	990363683	/nfs/dbraw/zinc/36/36/83/990363683.db2.gz	HJKXODXZIQOJRA-HXUWFJFHSA-N	1	0	369.469	1.847	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1	ZINC000371438258	990431708	/nfs/dbraw/zinc/43/17/08/990431708.db2.gz	PBHOLCDVHYUQRT-UONOGXRCSA-N	1	0	359.430	1.132	20	30		FDEDRO
CC(C)(C)C(=O)NCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000371528783	990506383	/nfs/dbraw/zinc/50/63/83/990506383.db2.gz	OAKFCHKHKYPWGG-UHFFFAOYSA-N	1	0	356.470	1.823	20	30		FDEDRO
CCC(=O)N1CC[C@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1	ZINC000371541322	990512513	/nfs/dbraw/zinc/51/25/13/990512513.db2.gz	AIHMRQLDGTWTSY-SFHVURJKSA-N	1	0	368.481	1.919	20	30		FDEDRO
Cc1c(C(=O)N(C)[C@@H](C)CC#N)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000371586482	990549434	/nfs/dbraw/zinc/54/94/34/990549434.db2.gz	UAHYGVNXHHXDAB-ZDUSSCGKSA-N	1	0	352.442	1.938	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)c1C#N	ZINC000371782228	990716244	/nfs/dbraw/zinc/71/62/44/990716244.db2.gz	UYLFNQFNQROMOK-MAUKXSAKSA-N	1	0	370.453	1.422	20	30		FDEDRO
CC1CC[NH+](CCCNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC1	ZINC000875020789	990743880	/nfs/dbraw/zinc/74/38/80/990743880.db2.gz	UCVHXAAOYZETFT-UHFFFAOYSA-N	1	0	370.501	1.907	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC(C(C)=O)CC1)C(C)C	ZINC000875078835	990847903	/nfs/dbraw/zinc/84/79/03/990847903.db2.gz	OIMDQVVIWSKVDV-GOSISDBHSA-N	1	0	363.502	1.629	20	30		FDEDRO
C[C@@]1(C2CC[NH+](CCCOc3cccc(C#N)c3)CC2)NC(=O)NC1=O	ZINC000372007422	990889022	/nfs/dbraw/zinc/88/90/22/990889022.db2.gz	VTIGZVQHJXNMQU-IBGZPJMESA-N	1	0	356.426	1.637	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CCN(C(=O)Cc3ccccc3)C2)CC1	ZINC000372090758	990920407	/nfs/dbraw/zinc/92/04/07/990920407.db2.gz	PSVFVTLULZOQPW-LJQANCHMSA-N	1	0	367.493	1.539	20	30		FDEDRO
CC1([NH+]2CCOCC2)CCN(C(=O)NCCNc2ncccc2C#N)CC1	ZINC000875149329	990966454	/nfs/dbraw/zinc/96/64/54/990966454.db2.gz	SFVUQKZJVBRUJO-UHFFFAOYSA-N	1	0	372.473	1.261	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1	ZINC000372289036	990997748	/nfs/dbraw/zinc/99/77/48/990997748.db2.gz	WJQKKGXAXQYOIF-RBUKOAKNSA-N	1	0	368.481	1.603	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000875178795	991014863	/nfs/dbraw/zinc/01/48/63/991014863.db2.gz	WAWYZDSHNXAGGS-UHFFFAOYSA-N	1	0	365.518	1.856	20	30		FDEDRO
C[NH+](C)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1coc(C#N)c1	ZINC000875179658	991017960	/nfs/dbraw/zinc/01/79/60/991017960.db2.gz	HLXLOVMHHRWDQV-SFHVURJKSA-N	1	0	366.421	1.396	20	30		FDEDRO
C=CCN(C(=O)Cn1ccc(=O)[nH]c1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000372597407	991256502	/nfs/dbraw/zinc/25/65/02/991256502.db2.gz	ARTCKXKHGSKVKZ-QGZVFWFLSA-N	1	0	368.437	1.238	20	30		FDEDRO
C=CC[N@@H+](CCN1CCOC[C@H]1C)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000410365187	991266752	/nfs/dbraw/zinc/26/67/52/991266752.db2.gz	CNHSETFTXBJWJV-IAGOWNOFSA-N	1	0	356.474	1.932	20	30		FDEDRO
N#CCc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)cc1	ZINC000372654688	991305958	/nfs/dbraw/zinc/30/59/58/991305958.db2.gz	NAATXTSUEBPUCK-ROUUACIJSA-N	1	0	370.453	1.139	20	30		FDEDRO
CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC000875373371	991417381	/nfs/dbraw/zinc/41/73/81/991417381.db2.gz	QNLJIWMXYONJHN-INIZCTEOSA-N	1	0	356.474	1.659	20	30		FDEDRO
CNc1nc(C)cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)n1	ZINC000410690080	991715011	/nfs/dbraw/zinc/71/50/11/991715011.db2.gz	SQBITJYONYBYAQ-UHFFFAOYSA-N	1	0	364.453	2.115	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000875604557	991793959	/nfs/dbraw/zinc/79/39/59/991793959.db2.gz	PMBBPWFIENWRDX-RTBURBONSA-N	1	0	371.481	1.264	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C	ZINC000875605062	991795193	/nfs/dbraw/zinc/79/51/93/991795193.db2.gz	VHLPGIOCMYDFEW-MJGOQNOKSA-N	1	0	371.481	1.264	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1	ZINC000875606284	991796095	/nfs/dbraw/zinc/79/60/95/991796095.db2.gz	RQORUNAEDNBVOF-ROUUACIJSA-N	1	0	363.502	1.111	20	30		FDEDRO
Cc1cc([C@@H]2CCC[N@@H+](CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)C2)[nH]n1	ZINC000373138390	991949887	/nfs/dbraw/zinc/94/98/87/991949887.db2.gz	IJMBUFXVLFEHBN-IEBWSBKVSA-N	1	0	372.517	1.590	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1	ZINC000875919657	992191188	/nfs/dbraw/zinc/19/11/88/992191188.db2.gz	MZVPLYCMMNQDBK-ROUUACIJSA-N	1	0	350.507	1.226	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H]3COCC[C@@]3(C(=O)OC)C2)CC1	ZINC000373396935	992196972	/nfs/dbraw/zinc/19/69/72/992196972.db2.gz	YCPARKSSCHJKQM-HNAYVOBHSA-N	1	0	365.474	1.248	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000875923394	992197819	/nfs/dbraw/zinc/19/78/19/992197819.db2.gz	BEYZUEVESTUYIH-OTWHNJEPSA-N	1	0	359.470	1.207	20	30		FDEDRO
N#CC[C@H](CC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1	ZINC000373527739	992268905	/nfs/dbraw/zinc/26/89/05/992268905.db2.gz	IEYBWSLEPSQGTN-UXHICEINSA-N	1	0	370.497	1.597	20	30		FDEDRO
C#CCN(C(=O)NC1CCC(C)([NH+](C)C)CC1)[C@@H]1CCS(=O)(=O)C1	ZINC000876110210	992315645	/nfs/dbraw/zinc/31/56/45/992315645.db2.gz	IFTYPMZWDQZRBO-ISXOHVOVSA-N	1	0	355.504	1.081	20	30		FDEDRO
CC(C)[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)C(=O)N1CCOCC1	ZINC000411479105	992454379	/nfs/dbraw/zinc/45/43/79/992454379.db2.gz	YWIKWBJMBBWGSH-SFHVURJKSA-N	1	0	358.442	1.360	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1	ZINC000373867778	992493326	/nfs/dbraw/zinc/49/33/26/992493326.db2.gz	BNIIKALOSJODHV-NTDBWNAOSA-N	1	0	363.502	1.417	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)C(=O)N[C@H]1Cc2ccc(C#N)cc2C1	ZINC000876280458	992520593	/nfs/dbraw/zinc/52/05/93/992520593.db2.gz	AHVNRRAEBIQUQO-IBGZPJMESA-N	1	0	357.502	1.550	20	30		FDEDRO
N#CCCn1cc(C[N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)c(-c2ccccc2)n1	ZINC000373970366	992536381	/nfs/dbraw/zinc/53/63/81/992536381.db2.gz	UKOBKXDPSMVIFD-ROUUACIJSA-N	1	0	365.437	1.553	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000411664899	992545281	/nfs/dbraw/zinc/54/52/81/992545281.db2.gz	FRGMVCVILNMDCB-AWEZNQCLSA-N	1	0	359.474	1.901	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2CCOC[C@@]2(COC)C[NH+](C)C)cc1	ZINC000876474153	992643239	/nfs/dbraw/zinc/64/32/39/992643239.db2.gz	ABJGMWOMQLVRSO-FQEVSTJZSA-N	1	0	362.470	1.600	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)s1	ZINC000876516326	992679412	/nfs/dbraw/zinc/67/94/12/992679412.db2.gz	PLAHGUJQGQNMDN-STQMWFEESA-N	1	0	371.528	1.259	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)CC[C@@H]([NH3+])C(C)C)s1	ZINC000876542520	992694661	/nfs/dbraw/zinc/69/46/61/992694661.db2.gz	WBFIGZAODYZEQS-CQSZACIVSA-N	1	0	373.544	1.587	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)Nn1cnc2sc3c(c2c1=O)CCCC3	ZINC000876549524	992698214	/nfs/dbraw/zinc/69/82/14/992698214.db2.gz	FSTCPXYRZAILAF-SNVBAGLBSA-N	1	0	352.847	1.877	20	30		FDEDRO
COC(=O)[C@H]1CN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC[N@H+](C)C1	ZINC000411924711	992708700	/nfs/dbraw/zinc/70/87/00/992708700.db2.gz	YDVSSDDCFSEOCN-TZMCWYRMSA-N	1	0	362.430	1.132	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(OC)cc2)CC1	ZINC000876580870	992716874	/nfs/dbraw/zinc/71/68/74/992716874.db2.gz	SUSFGRULPJDUJY-HNNXBMFYSA-N	1	0	351.834	1.450	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cc(OC)c(OC)cc1C(=O)N(C)C	ZINC000876586146	992721772	/nfs/dbraw/zinc/72/17/72/992721772.db2.gz	AFOPMHTYOOHLRJ-NSHDSACASA-N	1	0	355.822	1.814	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cn1	ZINC000964933612	1015729964	/nfs/dbraw/zinc/72/99/64/1015729964.db2.gz	LLMFXLXSSKOIRV-AYOQOUSVSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1	ZINC000876628317	992755104	/nfs/dbraw/zinc/75/51/04/992755104.db2.gz	PCRLXKSVUSGKGX-ZDUSSCGKSA-N	1	0	357.788	1.719	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@@H](CCOC)NC(=O)OC(C)(C)C)CC1	ZINC000876634714	992759495	/nfs/dbraw/zinc/75/94/95/992759495.db2.gz	ZHKBNOGNSMXWIR-MRXNPFEDSA-N	1	0	367.490	1.378	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(C(=O)COc2ccc(C)cc2)CC1	ZINC000876636037	992760817	/nfs/dbraw/zinc/76/08/17/992760817.db2.gz	PSVJLWNDFRROIF-INIZCTEOSA-N	1	0	365.861	1.515	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1	ZINC000412008989	992768268	/nfs/dbraw/zinc/76/82/68/992768268.db2.gz	INMHISNZWQXWNI-LJQANCHMSA-N	1	0	359.470	1.869	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCCC(=O)OCc1ccccc1	ZINC000876704566	992810906	/nfs/dbraw/zinc/81/09/06/992810906.db2.gz	CCQOGWYIZSQUFC-HXUWFJFHSA-N	1	0	363.417	1.995	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1	ZINC000876706300	992811602	/nfs/dbraw/zinc/81/16/02/992811602.db2.gz	NKWOLAQDIYFXRZ-OXQOHEQNSA-N	1	0	366.465	1.795	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(c2ncnc3sccc32)CC1	ZINC000876717264	992826890	/nfs/dbraw/zinc/82/68/90/992826890.db2.gz	BMGZKNHMZITIPD-GFCCVEGCSA-N	1	0	351.863	1.810	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1	ZINC000876724141	992836654	/nfs/dbraw/zinc/83/66/54/992836654.db2.gz	OLAZBDPFDUEKJC-HUUCEWRRSA-N	1	0	356.898	1.002	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1	ZINC000876724139	992836814	/nfs/dbraw/zinc/83/68/14/992836814.db2.gz	OLAZBDPFDUEKJC-CABCVRRESA-N	1	0	356.898	1.002	20	30		FDEDRO
N#Cc1c[nH]c2cc(C(=O)NC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)ccc12	ZINC000876841408	992933623	/nfs/dbraw/zinc/93/36/23/992933623.db2.gz	RBUMUHSBQHIVSI-OAHLLOKOSA-N	1	0	365.359	1.605	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N(CC(=O)OC)Cc1cc(OC)cc(OC)c1	ZINC000876876025	992945580	/nfs/dbraw/zinc/94/55/80/992945580.db2.gz	IGAAFUNIIUSNQT-HNNXBMFYSA-N	1	0	370.833	1.675	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(c2ccccc2OCCOC)CC1	ZINC000876888483	992949484	/nfs/dbraw/zinc/94/94/84/992949484.db2.gz	DLVCZENFGPDGBK-HNNXBMFYSA-N	1	0	367.877	1.830	20	30		FDEDRO
Cn1c(CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)nnc1C1CCC1	ZINC000876906068	992961732	/nfs/dbraw/zinc/96/17/32/992961732.db2.gz	PLZCEBSNSOPPSA-QGZVFWFLSA-N	1	0	350.426	1.457	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1	ZINC000876910067	992963586	/nfs/dbraw/zinc/96/35/86/992963586.db2.gz	RKRZOLCBJIESCH-KRWDZBQOSA-N	1	0	364.877	1.441	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(F)c1	ZINC000374995461	992979311	/nfs/dbraw/zinc/97/93/11/992979311.db2.gz	MSXPKDIVTNJZLB-AGUYFDCRSA-N	1	0	361.392	1.874	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)N2CC[C@@H](c3nccn3C)C2)c(F)c1	ZINC000375000307	992979869	/nfs/dbraw/zinc/97/98/69/992979869.db2.gz	IRQCRFMQQNBULK-GFCCVEGCSA-N	1	0	358.348	1.634	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@@H](n1cccn1)C(F)(F)F	ZINC000876991605	992998092	/nfs/dbraw/zinc/99/80/92/992998092.db2.gz	REQJKRARNAUUIV-CABCVRRESA-N	1	0	363.343	1.861	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)s1	ZINC000877047403	993029131	/nfs/dbraw/zinc/02/91/31/993029131.db2.gz	YSRXXVRXMYUGGM-NEPJUHHUSA-N	1	0	357.501	1.012	20	30		FDEDRO
CN1CCN(C(=O)NCC2CC[NH+](CCc3ccccc3)CC2)C[C@@H]1C#N	ZINC000375225152	993032062	/nfs/dbraw/zinc/03/20/62/993032062.db2.gz	DKXREPCZTYMRDY-FQEVSTJZSA-N	1	0	369.513	1.790	20	30		FDEDRO
CNC(=O)CO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(OCC#N)cc1)C2	ZINC001137116518	993080888	/nfs/dbraw/zinc/08/08/88/993080888.db2.gz	HKSGXQKUEDRYCU-QUCCMNQESA-N	1	0	373.453	1.475	20	30		FDEDRO
Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccc(OCC#N)cc2)cn1	ZINC001137116692	993083248	/nfs/dbraw/zinc/08/32/48/993083248.db2.gz	NJGKKJNYMLKZGP-ZWKOTPCHSA-N	1	0	351.410	1.702	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CCN(C(=O)C2([NH3+])Cc3ccccc3C2)CC1	ZINC000877251479	993151061	/nfs/dbraw/zinc/15/10/61/993151061.db2.gz	QWSIURMHEGXMEI-UHFFFAOYSA-N	1	0	364.424	1.842	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](C)Cn2ncc3ccccc3c2=O)CC1	ZINC000126499149	993265237	/nfs/dbraw/zinc/26/52/37/993265237.db2.gz	FPIBNDRNMGCWHP-OAHLLOKOSA-N	1	0	352.438	1.246	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)ccc1F	ZINC000877396542	993270071	/nfs/dbraw/zinc/27/00/71/993270071.db2.gz	ZBYGHILGLZRGDS-NVXWUHKLSA-N	1	0	367.446	1.304	20	30		FDEDRO
CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1cc(C#N)cnc1Cl	ZINC000877518554	993316880	/nfs/dbraw/zinc/31/68/80/993316880.db2.gz	STRJUTBVTFUSIR-OCCSQVGLSA-N	1	0	356.879	1.804	20	30		FDEDRO
N#Cc1ccc(C2(C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)CC2)cc1	ZINC000467841353	993387360	/nfs/dbraw/zinc/38/73/60/993387360.db2.gz	ZNTGZYXGEOMDKS-MRXNPFEDSA-N	1	0	354.454	1.293	20	30		FDEDRO
C#C[C@@H]([NH2+]Cc1ccc(OCCN2CCOCC2)cc1)C1CCOCC1	ZINC000877637887	993398396	/nfs/dbraw/zinc/39/83/96/993398396.db2.gz	OFKHCWGTSTZHSW-OAQYLSRUSA-N	1	0	358.482	1.916	20	30		FDEDRO
CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCO[C@H]1c1cnn(C)c1)C2	ZINC001095556162	993432851	/nfs/dbraw/zinc/43/28/51/993432851.db2.gz	AVYGRHYRPXUPRI-GFEQUFNTSA-N	1	0	356.470	1.633	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cc1	ZINC000468244842	993502059	/nfs/dbraw/zinc/50/20/59/993502059.db2.gz	LGAJYWJUOXQECX-AWEZNQCLSA-N	1	0	373.457	1.343	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1	ZINC000878080992	993688996	/nfs/dbraw/zinc/68/89/96/993688996.db2.gz	YCLFAODEJZNBHX-UHFFFAOYSA-N	1	0	356.470	1.821	20	30		FDEDRO
CN1CC[NH+](C2CCN(C(=O)Nc3cccc(OCC#N)c3)CC2)CC1	ZINC000878280999	993871377	/nfs/dbraw/zinc/87/13/77/993871377.db2.gz	CGNXRHOJYGCMEW-UHFFFAOYSA-N	1	0	357.458	1.833	20	30		FDEDRO
COCCO[C@@H]1C[C@@H](CO)C[N@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1	ZINC000878522602	993996351	/nfs/dbraw/zinc/99/63/51/993996351.db2.gz	PKOOIKWRMIYUNA-NRSPTQNISA-N	1	0	374.481	1.773	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000471021192	994233460	/nfs/dbraw/zinc/23/34/60/994233460.db2.gz	ZKFPQNXRLSIXCH-RYQLBKOJSA-N	1	0	356.470	1.451	20	30		FDEDRO
C#CCN(C(=O)NCCn1ccc(C(F)(F)F)n1)C1CC[NH+](C)CC1	ZINC000923969809	994304001	/nfs/dbraw/zinc/30/40/01/994304001.db2.gz	ARDSYSHUQDSFQS-UHFFFAOYSA-N	1	0	357.380	1.641	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncc(OC(C)C)c1)C2	ZINC001110888610	994549137	/nfs/dbraw/zinc/54/91/37/994549137.db2.gz	MITKARSPWPFDNT-NXHRZFHOSA-N	1	0	372.469	1.506	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCCOC	ZINC001110892397	994589238	/nfs/dbraw/zinc/58/92/38/994589238.db2.gz	XMLSFQANOYIUBP-VQHPVUNQSA-N	1	0	354.491	1.334	20	30		FDEDRO
C#CCOCC[NH+]1CCC(n2nnc(C(=O)OCC)c2C(F)F)CC1	ZINC000879299992	994751808	/nfs/dbraw/zinc/75/18/08/994751808.db2.gz	RDDBWUGPACKSNB-UHFFFAOYSA-N	1	0	356.373	1.679	20	30		FDEDRO
CCOC(=O)[C@@H]1C[N@H+](C[C@H](O)CC2(C#N)CCOCC2)CCC1(F)F	ZINC000879368027	994838353	/nfs/dbraw/zinc/83/83/53/994838353.db2.gz	VCJYMNMKHHRYBM-KGLIPLIRSA-N	1	0	360.401	1.578	20	30		FDEDRO
C=CC[NH+]1CCC(N2C(=O)N[C@H]([C@H](O)c3ccc(Cl)cc3)C2=O)CC1	ZINC000924596934	994864644	/nfs/dbraw/zinc/86/46/44/994864644.db2.gz	ASPTWXAAHXGJSH-HZPDHXFCSA-N	1	0	363.845	1.944	20	30		FDEDRO
CN(C)c1cc[nH+]c(CNC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)c1	ZINC000924677097	994927279	/nfs/dbraw/zinc/92/72/79/994927279.db2.gz	XTKKVUAMZIQYDD-SFHVURJKSA-N	1	0	353.426	1.894	20	30		FDEDRO
COc1ccc([C@H]2CN(CC(=O)NCc3ccc(C#N)cc3)CC[NH2+]2)cc1	ZINC000879522324	994975229	/nfs/dbraw/zinc/97/52/29/994975229.db2.gz	WMHMGJMDIJCOFA-HXUWFJFHSA-N	1	0	364.449	1.830	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCC(C(C)(C)O)CC2)CC1	ZINC000879627449	995102402	/nfs/dbraw/zinc/10/24/02/995102402.db2.gz	GQFHOAHUHNOVLF-KRWDZBQOSA-N	1	0	350.507	1.162	20	30		FDEDRO
C[C@@H]1[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)CCN1Cc1ccccc1	ZINC000925414470	995575926	/nfs/dbraw/zinc/57/59/26/995575926.db2.gz	OEUFIFQZTULCPQ-DBROBJPSSA-N	1	0	354.454	1.765	20	30		FDEDRO
O=C(NCC[NH2+]C1CCN(OCc2ccccc2)CC1)C1N=CC=CC1=O	ZINC000925418151	995579881	/nfs/dbraw/zinc/57/98/81/995579881.db2.gz	ZQYWXBWLXUKPRA-FMQUCBEESA-N	1	0	370.453	1.699	20	30		FDEDRO
C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000925495488	995628459	/nfs/dbraw/zinc/62/84/59/995628459.db2.gz	OMDDIHVBFWFDMM-JGWKNBOWSA-N	1	0	369.425	1.035	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O	ZINC000926144089	995935331	/nfs/dbraw/zinc/93/53/31/995935331.db2.gz	SMWHBVBCONCYNX-SEFVSHJNSA-N	1	0	351.491	1.053	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C2CC3(CC(NC(=O)[C@@H]4C[C@H]4C4CC4)C3)C2)C1=O	ZINC000965398804	1016038795	/nfs/dbraw/zinc/03/87/95/1016038795.db2.gz	RVTIKWHUYTYINK-VBRRMUIRSA-N	1	0	357.498	1.836	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+][C@H]1CCN(C)C1=O)C2	ZINC000965423994	1016059480	/nfs/dbraw/zinc/05/94/80/1016059480.db2.gz	FQUADSHATRWFQT-PZWKLGFKSA-N	1	0	361.486	1.215	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1ccn(C)n1)C2	ZINC000965424976	1016059869	/nfs/dbraw/zinc/05/98/69/1016059869.db2.gz	PNFQIGPUWLLWNX-BMTWLGCMSA-N	1	0	358.486	1.918	20	30		FDEDRO
CCN(C(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1)[C@@H]1CC[NH2+]C1	ZINC000886996998	996810396	/nfs/dbraw/zinc/81/03/96/996810396.db2.gz	FPXXECHQEBHGFS-LJQANCHMSA-N	1	0	362.433	1.630	20	30		FDEDRO
N#Cc1ccc(Cl)c(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c1	ZINC000887034291	996847286	/nfs/dbraw/zinc/84/72/86/996847286.db2.gz	PMLIHOFOOIONGK-JTQLQIEISA-N	1	0	356.760	1.511	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@@H]2CN(Cc3cccc(C)c3)CCO2)nn1	ZINC000826551794	997034789	/nfs/dbraw/zinc/03/47/89/997034789.db2.gz	QEHQCOSVDKQUBY-GOSISDBHSA-N	1	0	369.469	1.793	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC12CCN(C(=O)C[NH+]1CCCC1)CC2	ZINC000965461289	1016097354	/nfs/dbraw/zinc/09/73/54/1016097354.db2.gz	JMPFFFJHWZDEAH-IXDOHACOSA-N	1	0	361.486	1.171	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc([C@H]2CCCC(=O)N2)c1	ZINC000890300789	997172654	/nfs/dbraw/zinc/17/26/54/997172654.db2.gz	YRNVBJNORBISJF-QGZVFWFLSA-N	1	0	370.453	1.038	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1	ZINC000965474043	1016104968	/nfs/dbraw/zinc/10/49/68/1016104968.db2.gz	WBSUYUDTTVXYIA-GPMSIDNRSA-N	1	0	363.502	1.369	20	30		FDEDRO
CN(CCCNC(=[NH2+])N1CCN(c2ncccn2)CC1)c1ccccc1	ZINC000264091456	997401459	/nfs/dbraw/zinc/40/14/59/997401459.db2.gz	KZMGGBAHXHKHJE-UHFFFAOYSA-N	1	0	353.474	1.440	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCC[C@@H]2c3ccccc3NC2=O)CC1	ZINC000264120027	997405276	/nfs/dbraw/zinc/40/52/76/997405276.db2.gz	QVCKLYXJWCENME-OAHLLOKOSA-N	1	0	373.457	1.638	20	30		FDEDRO
CCNC(=O)COc1cccc(CNC(=[NH2+])NCc2ccccc2OC)c1	ZINC000264134292	997410082	/nfs/dbraw/zinc/41/00/82/997410082.db2.gz	ZEWAYVUPCYCHDC-UHFFFAOYSA-N	1	0	370.453	1.815	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2nc3ccccc3n2C)CC1	ZINC000264145952	997414480	/nfs/dbraw/zinc/41/44/80/997414480.db2.gz	XUVGLLIDOBHBKD-UHFFFAOYSA-N	1	0	358.446	1.599	20	30		FDEDRO
Cc1c(CC(=O)N(CCC#N)CCC[NH+](C)C)nnn1-c1ccccc1	ZINC000264276002	997446920	/nfs/dbraw/zinc/44/69/20/997446920.db2.gz	TUHVPPBVWKCODZ-UHFFFAOYSA-N	1	0	354.458	1.812	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCC(=O)N(C)CCc2ccccn2)cc1	ZINC000264314172	997458091	/nfs/dbraw/zinc/45/80/91/997458091.db2.gz	VMVIVAKNZHQYRW-UHFFFAOYSA-N	1	0	369.469	1.238	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)CC1	ZINC000264372853	997485931	/nfs/dbraw/zinc/48/59/31/997485931.db2.gz	GWZFHMNFHVXDPN-FQEVSTJZSA-N	1	0	372.513	1.837	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3cccc(OCC#N)c3)C2)CC1	ZINC000264453660	997515886	/nfs/dbraw/zinc/51/58/86/997515886.db2.gz	NHUJNEKGZHKRSN-KRWDZBQOSA-N	1	0	357.458	1.833	20	30		FDEDRO
C#CCNC(=O)c1ccc(NCc2cccnc2N2CC[NH+](C)CC2)nc1	ZINC000264856727	997637820	/nfs/dbraw/zinc/63/78/20/997637820.db2.gz	KUNYALDXXUVDNK-UHFFFAOYSA-N	1	0	364.453	1.204	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1	ZINC000265453654	997788404	/nfs/dbraw/zinc/78/84/04/997788404.db2.gz	UWALRKLXXSJQCH-INIZCTEOSA-N	1	0	374.485	1.190	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](C(=O)NCc2nc(C#N)cs2)[C@@H](c2cnn(C)c2)C1	ZINC000887976822	997990582	/nfs/dbraw/zinc/99/05/82/997990582.db2.gz	URDYUMMGYJMHCJ-JKSUJKDBSA-N	1	0	372.498	1.879	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(C(=O)Nc3ccc(C#N)cn3)CC2)CC1	ZINC000889229740	998235150	/nfs/dbraw/zinc/23/51/50/998235150.db2.gz	GBRXPESIWBYNMO-UHFFFAOYSA-N	1	0	356.474	1.976	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000889773330	998637758	/nfs/dbraw/zinc/63/77/58/998637758.db2.gz	ANNGVPCBTWDGQY-OALUTQOASA-N	1	0	373.501	1.404	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)n1	ZINC000889953290	998743661	/nfs/dbraw/zinc/74/36/61/998743661.db2.gz	YEJCDIKPLZKVKH-UHFFFAOYSA-N	1	0	355.442	1.563	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1	ZINC000826669136	998754411	/nfs/dbraw/zinc/75/44/11/998754411.db2.gz	ZGDBAMPBFVGKAC-QBNCKDSPSA-N	1	0	374.485	1.816	20	30		FDEDRO
N#CCCCNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000890081449	998808374	/nfs/dbraw/zinc/80/83/74/998808374.db2.gz	BOCFJVRPEDYQSU-KRWDZBQOSA-N	1	0	355.442	1.329	20	30		FDEDRO
C=CCN(C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H](C)COC	ZINC000890129985	998831864	/nfs/dbraw/zinc/83/18/64/998831864.db2.gz	HFUOGUKRTCPAPH-ROUUACIJSA-N	1	0	368.522	1.016	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)n1	ZINC000890429231	998939359	/nfs/dbraw/zinc/93/93/59/998939359.db2.gz	DFAQBSWMMWNWCC-QGZVFWFLSA-N	1	0	369.469	1.999	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCCC1(F)F)C2	ZINC001110848165	999031480	/nfs/dbraw/zinc/03/14/80/999031480.db2.gz	MVMCOITYHIWPLG-BARDWOONSA-N	1	0	353.413	1.283	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCCCC	ZINC001110863352	999072361	/nfs/dbraw/zinc/07/23/61/999072361.db2.gz	FYZZBDJMHUAURN-PDOICOKGSA-N	1	0	365.518	1.853	20	30		FDEDRO
Cc1ccc2[nH]c(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4CC(=O)NCC#N)cc2c1	ZINC001110882774	999109336	/nfs/dbraw/zinc/10/93/36/999109336.db2.gz	PSWVRHOCLQOJMY-KYJSFNMBSA-N	1	0	365.437	1.451	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC)c(OCC)c2)CC1	ZINC000266625048	999204601	/nfs/dbraw/zinc/20/46/01/999204601.db2.gz	CALKQSCBLOUCNE-UHFFFAOYSA-N	1	0	361.442	1.799	20	30		FDEDRO
COc1cc(CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)ccn1	ZINC000268061610	999421816	/nfs/dbraw/zinc/42/18/16/999421816.db2.gz	FBEHJNMFAGUDCI-CQSZACIVSA-N	1	0	361.446	1.471	20	30		FDEDRO
COCc1ccccc1CNC(=O)CON=C(N)Cc1ccc(OC)cc1	ZINC000268685011	999449342	/nfs/dbraw/zinc/44/93/42/999449342.db2.gz	YBFYGBRQWWWRPO-UHFFFAOYSA-N	1	0	371.437	1.989	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)CC1	ZINC000269184600	999465831	/nfs/dbraw/zinc/46/58/31/999465831.db2.gz	CRSMXCHGEUPQPA-FQEVSTJZSA-N	1	0	370.453	1.512	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(C(=O)Nc3ccn(CCC#N)n3)CC2)CC1	ZINC000269445100	999468501	/nfs/dbraw/zinc/46/85/01/999468501.db2.gz	QEJDUKPHYVVHJT-UHFFFAOYSA-N	1	0	373.505	1.819	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CCN1c1nccn2cnnc12	ZINC000269691572	999471698	/nfs/dbraw/zinc/47/16/98/999471698.db2.gz	WJAZHMNBNNUEMQ-HNNXBMFYSA-N	1	0	363.425	1.737	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCc4ccc(C#N)cc43)CC[C@@H]21	ZINC000270178934	999521745	/nfs/dbraw/zinc/52/17/45/999521745.db2.gz	LODQGDPPJNEWPQ-IRXDYDNUSA-N	1	0	352.438	1.390	20	30		FDEDRO
CC(C)[C@H](CNC(=O)C(=O)N1CCc2ccc(C#N)cc21)[NH+]1CCCC1	ZINC000270194885	999524254	/nfs/dbraw/zinc/52/42/54/999524254.db2.gz	OEUPITIAVOQXFP-SFHVURJKSA-N	1	0	354.454	1.684	20	30		FDEDRO
C=CCCOCCNC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000270468981	999563115	/nfs/dbraw/zinc/56/31/15/999563115.db2.gz	VANGQFMMALJVLX-UHFFFAOYSA-N	1	0	362.474	1.370	20	30		FDEDRO
CCN1CC[NH+](CCCCNC(=O)Cc2cccc(OCC#N)c2)CC1	ZINC000270945442	999638406	/nfs/dbraw/zinc/63/84/06/999638406.db2.gz	RZFZPLAAJQAYGT-UHFFFAOYSA-N	1	0	358.486	1.665	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)nn1CCC#N	ZINC000271099921	999661194	/nfs/dbraw/zinc/66/11/94/999661194.db2.gz	XPNKMAIGAXDNCM-MRXNPFEDSA-N	1	0	372.473	1.521	20	30		FDEDRO
C[C@H](CN1CCOCC1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000271578877	999714134	/nfs/dbraw/zinc/71/41/34/999714134.db2.gz	BMBUHAMYASGCJI-MRXNPFEDSA-N	1	0	356.470	1.929	20	30		FDEDRO
C[C@@H](CN1CCOCC1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000271578875	999714205	/nfs/dbraw/zinc/71/42/05/999714205.db2.gz	BMBUHAMYASGCJI-INIZCTEOSA-N	1	0	356.470	1.929	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(F)c1	ZINC000283173023	999742664	/nfs/dbraw/zinc/74/26/64/999742664.db2.gz	FYHYQXAVQHAQSW-CJNGLKHVSA-N	1	0	361.392	1.827	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCn2c(C)nc3ccccc32)CC1	ZINC000283392996	999751575	/nfs/dbraw/zinc/75/15/75/999751575.db2.gz	HEVARZDWKYWQPT-UHFFFAOYSA-N	1	0	369.469	1.228	20	30		FDEDRO
[NH2+]=C(NCCCc1c[nH]c2ccc(F)cc12)NCCCN1CCOCC1	ZINC000283761765	999761428	/nfs/dbraw/zinc/76/14/28/999761428.db2.gz	HTNYGRUXDHGYCB-UHFFFAOYSA-N	1	0	361.465	1.866	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@H]1CCCc2c[nH]nc21)C(C)C	ZINC000283993391	999765152	/nfs/dbraw/zinc/76/51/52/999765152.db2.gz	JPPSZQGCULIUOF-IRXDYDNUSA-N	1	0	373.501	1.718	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(C#N)cc1	ZINC000284005400	999767880	/nfs/dbraw/zinc/76/78/80/999767880.db2.gz	NGWCHDKHDPTGJT-DOTOQJQBSA-N	1	0	354.454	1.680	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1	ZINC000284281125	999796793	/nfs/dbraw/zinc/79/67/93/999796793.db2.gz	XIOLWZJZHAQXDH-ZWKOTPCHSA-N	1	0	359.470	1.462	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1	ZINC000284288683	999798630	/nfs/dbraw/zinc/79/86/30/999798630.db2.gz	MKZGYZGZGNXBHP-GOSISDBHSA-N	1	0	372.513	1.201	20	30		FDEDRO
C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1	ZINC000284891142	999879150	/nfs/dbraw/zinc/87/91/50/999879150.db2.gz	SMWQHASTAKLJSZ-GGPKGHCWSA-N	1	0	357.454	1.426	20	30		FDEDRO
C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N(C)Cc1cccc(C#N)c1	ZINC000285156553	999903262	/nfs/dbraw/zinc/90/32/62/999903262.db2.gz	SYVUHNAWQDJCCS-BRWVUGGUSA-N	1	0	370.497	1.999	20	30		FDEDRO
C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000285787263	999921182	/nfs/dbraw/zinc/92/11/82/999921182.db2.gz	FFKSTHJSIRBRTQ-AHRSYUTCSA-N	1	0	368.481	1.849	20	30		FDEDRO
CN(CCC[N@H+](C)Cc1ccco1)C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000286629872	999945556	/nfs/dbraw/zinc/94/55/56/999945556.db2.gz	MJBMUIXISMRVJI-HNENSFHCSA-N	1	0	374.441	1.476	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)Oc2ccc(F)cc2)CC1	ZINC000286640718	999945712	/nfs/dbraw/zinc/94/57/12/999945712.db2.gz	MYRPOKYXZHFHBW-CQSZACIVSA-N	1	0	363.433	1.476	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NCCCCC#N	ZINC000286818205	999951022	/nfs/dbraw/zinc/95/10/22/999951022.db2.gz	WSGIMWOLWLGYRW-SJLPKXTDSA-N	1	0	356.470	1.823	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCCCCC#N	ZINC000286818201	999951085	/nfs/dbraw/zinc/95/10/85/999951085.db2.gz	WSGIMWOLWLGYRW-AEFFLSMTSA-N	1	0	356.470	1.823	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(Cc2ccccc2)C[C@H](O)CC)CC1	ZINC000286840770	999952729	/nfs/dbraw/zinc/95/27/29/999952729.db2.gz	YCSQGSQFELMOCI-LJQANCHMSA-N	1	0	373.497	1.553	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21	ZINC000287443462	999958008	/nfs/dbraw/zinc/95/80/08/999958008.db2.gz	SBPXIRBHCXGRCJ-ZWKOTPCHSA-N	1	0	371.481	1.810	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21	ZINC000287499102	999958183	/nfs/dbraw/zinc/95/81/83/999958183.db2.gz	VSFWVEAMMFRRDQ-NVXWUHKLSA-N	1	0	357.454	1.420	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1	ZINC000287700582	999959271	/nfs/dbraw/zinc/95/92/71/999959271.db2.gz	DZSREOWTDPLJML-OAHLLOKOSA-N	1	0	354.454	1.672	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)nn1CCC#N	ZINC000288016437	999982926	/nfs/dbraw/zinc/98/29/26/999982926.db2.gz	CEPLNJJYLFDRRL-CABCVRRESA-N	1	0	358.446	1.129	20	30		FDEDRO
N#Cc1ccnc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1	ZINC000288396932	1000013946	/nfs/dbraw/zinc/01/39/46/1000013946.db2.gz	KRGBLMGFQLBAEX-SFHVURJKSA-N	1	0	350.422	1.974	20	30		FDEDRO
C#CCC(CC#C)C(=O)N1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000288496300	1000021478	/nfs/dbraw/zinc/02/14/78/1000021478.db2.gz	FYOMYMYEGJVPGX-GOSISDBHSA-N	1	0	373.497	1.803	20	30		FDEDRO
C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC000288887412	1000056228	/nfs/dbraw/zinc/05/62/28/1000056228.db2.gz	GJZSULPVCPNADY-ZBFHGGJFSA-N	1	0	356.426	1.613	20	30		FDEDRO
C#C[C@@H]([NH2+]Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1)C(C)C	ZINC000289376389	1000094843	/nfs/dbraw/zinc/09/48/43/1000094843.db2.gz	LZGUQSYBJSSRBJ-QGZVFWFLSA-N	1	0	360.454	1.680	20	30		FDEDRO
C#CCOc1ccccc1C[NH2+]C[C@H]1CCCC[C@H]1NS(C)(=O)=O	ZINC000796486763	1016387967	/nfs/dbraw/zinc/38/79/67/1016387967.db2.gz	QBMXZJIFCHWWBH-NVXWUHKLSA-N	1	0	350.484	1.896	20	30		FDEDRO
C=C(C)Cn1c(C2CCC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000290964005	1000163399	/nfs/dbraw/zinc/16/33/99/1000163399.db2.gz	HYSKCNYRSUHSHZ-QGZVFWFLSA-N	1	0	372.517	1.865	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NC[C@H]1CCN(c2ccccc2F)C1	ZINC000291026027	1000166417	/nfs/dbraw/zinc/16/64/17/1000166417.db2.gz	WPYSELQORJPDEX-MRXNPFEDSA-N	1	0	363.481	1.279	20	30		FDEDRO
CC[N@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)[C@H](C)CO	ZINC000292037263	1000205254	/nfs/dbraw/zinc/20/52/54/1000205254.db2.gz	ADWSJZNGSCXRMJ-CRAIPNDOSA-N	1	0	362.449	1.237	20	30		FDEDRO
C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292316659	1000229869	/nfs/dbraw/zinc/22/98/69/1000229869.db2.gz	VPTLIQFGIAQQSW-TZMCWYRMSA-N	1	0	359.430	1.419	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)NCc1ccc(CS(=O)(=O)N(C)C)cc1	ZINC000927549893	1000904408	/nfs/dbraw/zinc/90/44/08/1000904408.db2.gz	CQSBKUSUHRAIRQ-UHFFFAOYSA-N	1	0	353.488	1.202	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CCC(C[NH2+]C)CC3)cc21	ZINC000927792201	1001049659	/nfs/dbraw/zinc/04/96/59/1001049659.db2.gz	DPAIEWZKODUPAM-UHFFFAOYSA-N	1	0	355.442	1.619	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)c1	ZINC000927819077	1001079374	/nfs/dbraw/zinc/07/93/74/1001079374.db2.gz	DSYVATFJDAGXPE-INIZCTEOSA-N	1	0	373.453	1.465	20	30		FDEDRO
CCOC(=O)N1CCC([C@@H](C)[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)CC1	ZINC000777644693	1001089335	/nfs/dbraw/zinc/08/93/35/1001089335.db2.gz	OUFTWHBKXRFUNX-DYVFJYSZSA-N	1	0	358.442	1.931	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]CC3)CC2)ccc1C#N	ZINC000927895890	1001200869	/nfs/dbraw/zinc/20/08/69/1001200869.db2.gz	ROKRIGMVSXOUJL-OAHLLOKOSA-N	1	0	369.469	1.829	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CC[C@]4(C3)CCCC[NH2+]4)cc21	ZINC000927932278	1001227009	/nfs/dbraw/zinc/22/70/09/1001227009.db2.gz	JCHFEIGEPJOBKL-FQEVSTJZSA-N	1	0	367.453	1.905	20	30		FDEDRO
C[N@@H+]1CC[C@H]1CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1	ZINC000928553252	1001570824	/nfs/dbraw/zinc/57/08/24/1001570824.db2.gz	MARRRLZELSKWRY-AWEZNQCLSA-N	1	0	363.259	1.577	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2nnn(Cc3ccc(F)cc3)c2CC)CC1	ZINC000928653009	1001609779	/nfs/dbraw/zinc/60/97/79/1001609779.db2.gz	VJTUSOZBRFEOQP-UHFFFAOYSA-N	1	0	369.444	1.855	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cnn(-c3ccccc3)c2COC)CC1	ZINC000928653996	1001610647	/nfs/dbraw/zinc/61/06/47/1001610647.db2.gz	JIEPJEYNJKKUTG-UHFFFAOYSA-N	1	0	352.438	1.846	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CN2C(=O)N[C@@]3(CCCC(C)(C)C3)C2=O)CC1	ZINC000928655211	1001611271	/nfs/dbraw/zinc/61/12/71/1001611271.db2.gz	SAGXYBOHGPFALA-HXUWFJFHSA-N	1	0	374.485	1.091	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C[C@@](O)(c2ccc(C)o2)C(F)(F)F)CC1	ZINC000928655298	1001611332	/nfs/dbraw/zinc/61/13/32/1001611332.db2.gz	SZDBKURKKSXXDY-MRXNPFEDSA-N	1	0	358.360	1.942	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Cc2c(C)nc3c(c(C)nn3C)c2C)CC1	ZINC000928656568	1001612524	/nfs/dbraw/zinc/61/25/24/1001612524.db2.gz	BAXBDIUONYZMPH-UHFFFAOYSA-N	1	0	353.470	1.650	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)/C(=C/c2ccc(F)cc2)n2nnnc2C)CC1	ZINC000928657189	1001612614	/nfs/dbraw/zinc/61/26/14/1001612614.db2.gz	QZQZYCWCDZIGRP-AQTBWJFISA-N	1	0	368.416	1.333	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)CC1	ZINC000928657995	1001613288	/nfs/dbraw/zinc/61/32/88/1001613288.db2.gz	IPKVWMMBHPAAEQ-KRWDZBQOSA-N	1	0	369.465	1.258	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1	ZINC000928657597	1001613393	/nfs/dbraw/zinc/61/33/93/1001613393.db2.gz	PKXOOVUUCAWLMZ-UHFFFAOYSA-N	1	0	353.382	1.608	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CNC(=O)c2cc(-c3ccccc3)on2)CC1	ZINC000928658275	1001613864	/nfs/dbraw/zinc/61/38/64/1001613864.db2.gz	OXVWSONZFWKPOH-UHFFFAOYSA-N	1	0	366.421	1.285	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)NCC)ccc2C)CC1	ZINC000928658817	1001614014	/nfs/dbraw/zinc/61/40/14/1001614014.db2.gz	SZEWTQJPOGUBHW-UHFFFAOYSA-N	1	0	363.483	1.121	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)CC1	ZINC000928659166	1001614601	/nfs/dbraw/zinc/61/46/01/1001614601.db2.gz	GKFDLQISHAGIIN-HNNXBMFYSA-N	1	0	357.429	1.701	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)CC1	ZINC000928659475	1001615291	/nfs/dbraw/zinc/61/52/91/1001615291.db2.gz	NUNOILUWCKLBKV-AATRIKPKSA-N	1	0	367.453	1.533	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CCNC(=O)c2cc3ccccc3[nH]2)CC1	ZINC000928660640	1001615819	/nfs/dbraw/zinc/61/58/19/1001615819.db2.gz	SYZHMYNHOGPMLR-UHFFFAOYSA-N	1	0	352.438	1.502	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)c1ccc(C#N)cc1	ZINC000929379494	1001982301	/nfs/dbraw/zinc/98/23/01/1001982301.db2.gz	LVXHQSRZKIYKSR-RDTXWAMCSA-N	1	0	370.453	1.105	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1	ZINC000929465396	1002083710	/nfs/dbraw/zinc/08/37/10/1002083710.db2.gz	QHUXHQIPVHKSEK-INIZCTEOSA-N	1	0	366.512	1.132	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1	ZINC000948205416	1002176625	/nfs/dbraw/zinc/17/66/25/1002176625.db2.gz	XGYFKXWKNPVHDH-RHSMWYFYSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1	ZINC000948472010	1002377108	/nfs/dbraw/zinc/37/71/08/1002377108.db2.gz	KZWVZHBBAQDIIP-KURKYZTESA-N	1	0	361.486	1.027	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1	ZINC000948472144	1002378302	/nfs/dbraw/zinc/37/83/02/1002378302.db2.gz	OBFPGTQPIXVCHO-UWVAXJGDSA-N	1	0	361.486	1.171	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(NC(=O)c2ccc3c[nH+]cn3c2)CC1	ZINC000948477167	1002385697	/nfs/dbraw/zinc/38/56/97/1002385697.db2.gz	SKDHWWYZGPLMFO-MSOLQXFVSA-N	1	0	368.437	1.646	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)NC1CCC(C)([NH+]2CCCC2)CC1	ZINC000929751930	1002400069	/nfs/dbraw/zinc/40/00/69/1002400069.db2.gz	CKHVBOUHLVBSKY-UHFFFAOYSA-N	1	0	353.532	1.935	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Nc1ccc(-n2nccn2)cc1C(F)(F)F	ZINC000929840909	1002508383	/nfs/dbraw/zinc/50/83/83/1002508383.db2.gz	HXWXVKNXUBQVAQ-UHFFFAOYSA-N	1	0	366.347	1.973	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3CCC)[C@@H](O)C2)CC1	ZINC000965977485	1016644626	/nfs/dbraw/zinc/64/46/26/1016644626.db2.gz	CKUDMPRFLCAEHN-SQNIBIBYSA-N	1	0	363.502	1.295	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccccc1C(N)=O)C2	ZINC001111281388	1002643542	/nfs/dbraw/zinc/64/35/42/1002643542.db2.gz	PSKBRQQWXGHWHS-QRQLOZEOSA-N	1	0	371.481	1.642	20	30		FDEDRO
CCN1CCN(C(=O)c2ccc(NC(=O)NCC#CC[NH+](C)C)cc2)CC1	ZINC000930004354	1002726074	/nfs/dbraw/zinc/72/60/74/1002726074.db2.gz	FUHHFHPQQNYIKF-UHFFFAOYSA-N	1	0	371.485	1.151	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2c(C)nc3ccccn32)CC1	ZINC000930006246	1002728736	/nfs/dbraw/zinc/72/87/36/1002728736.db2.gz	CYWOLKVMOSCWLG-UHFFFAOYSA-N	1	0	355.442	1.026	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[C@@]32c2cccnc2)CC1	ZINC000930007682	1002731063	/nfs/dbraw/zinc/73/10/63/1002731063.db2.gz	VXGJPDQGHTXFPS-KKSFZXQISA-N	1	0	368.481	1.686	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](c2ccncc2)C2CC2)CC1	ZINC000930009587	1002733484	/nfs/dbraw/zinc/73/34/84/1002733484.db2.gz	WFTRKQAAEOULRT-GOSISDBHSA-N	1	0	356.470	1.806	20	30		FDEDRO
COc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+](C)C)C3)cc1C#N	ZINC001110980191	1002755808	/nfs/dbraw/zinc/75/58/08/1002755808.db2.gz	UMGSASUYBTZOTR-KURKYZTESA-N	1	0	356.470	1.740	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1	ZINC000930038644	1002757788	/nfs/dbraw/zinc/75/77/88/1002757788.db2.gz	HSZXFQRQMXVDDG-MRXNPFEDSA-N	1	0	357.458	1.811	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@](C)(OC)c1ccccc1)C2	ZINC001111285396	1002760924	/nfs/dbraw/zinc/76/09/24/1002760924.db2.gz	MFYBUTAXYGDYSS-BNDYYXHWSA-N	1	0	356.466	1.920	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1)[NH+]1CCCCCC1	ZINC000948982713	1002903825	/nfs/dbraw/zinc/90/38/25/1002903825.db2.gz	KMISYQILVRLYIK-IIDMSEBBSA-N	1	0	371.485	1.728	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1)[NH+]1CCCCCC1	ZINC000948983150	1002905039	/nfs/dbraw/zinc/90/50/39/1002905039.db2.gz	WMBTZGNLGLIVPM-IIDMSEBBSA-N	1	0	371.485	1.728	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1	ZINC000948985154	1002906033	/nfs/dbraw/zinc/90/60/33/1002906033.db2.gz	CRZVQMQXCBUFBT-ZTFGCOKTSA-N	1	0	371.485	1.726	20	30		FDEDRO
C#CC[C@@H]([NH2+]CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)c1ccccc1	ZINC000930217233	1002937013	/nfs/dbraw/zinc/93/70/13/1002937013.db2.gz	LDCJIYUHWMBIBA-OAHLLOKOSA-N	1	0	369.387	1.820	20	30		FDEDRO
C[C@@H](CCNC(=O)C(=O)N(C)Cc1cc(C#N)cs1)[NH+]1CCCCC1	ZINC000930249737	1002969454	/nfs/dbraw/zinc/96/94/54/1002969454.db2.gz	IMCFFRGJIUHTHC-AWEZNQCLSA-N	1	0	362.499	1.959	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1)C1CC[NH+](C)CC1	ZINC000930265192	1002983020	/nfs/dbraw/zinc/98/30/20/1002983020.db2.gz	QJFNHYHBBHIDIR-NVXWUHKLSA-N	1	0	363.502	1.252	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H]1Cc2ccc(Cl)cc2C1)C1CC[NH+](C)CC1	ZINC000930287670	1002999087	/nfs/dbraw/zinc/99/90/87/1002999087.db2.gz	WJMOQQKHQQHJHU-QGZVFWFLSA-N	1	0	373.884	1.479	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2cc(Br)c(=O)n(C)c2)CC1	ZINC000930372959	1003065331	/nfs/dbraw/zinc/06/53/31/1003065331.db2.gz	FFUHIPCUPDITMB-UHFFFAOYSA-N	1	0	367.247	1.367	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(CC[NH+](C[C@@H]3CCOC3)CC2)C1	ZINC000949193991	1003080361	/nfs/dbraw/zinc/08/03/61/1003080361.db2.gz	GDLROMDESOIZKT-KSZLIROESA-N	1	0	364.486	1.307	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC000949291328	1003193789	/nfs/dbraw/zinc/19/37/89/1003193789.db2.gz	YBKZXHMJPJQYAJ-RHSMWYFYSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC1)C[N@H+](C[C@@H](C)O)CCO2	ZINC000949370129	1003268043	/nfs/dbraw/zinc/26/80/43/1003268043.db2.gz	KYYBLHNTPNOCBN-ZACQAIPSSA-N	1	0	352.475	1.042	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Nc1cccc2c1CCN2S(C)(=O)=O	ZINC000930823550	1003551203	/nfs/dbraw/zinc/55/12/03/1003551203.db2.gz	NRGYTZLXNVCOLK-UHFFFAOYSA-N	1	0	364.471	1.085	20	30		FDEDRO
C[C@H]1C[NH+](CCOCCN2C(=O)c3ccccc3C2=O)C[C@H](C)N1CC#N	ZINC000930828215	1003555474	/nfs/dbraw/zinc/55/54/74/1003555474.db2.gz	IWAPFQLIWKBTLH-HOTGVXAUSA-N	1	0	370.453	1.217	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	ZINC000930861401	1003599328	/nfs/dbraw/zinc/59/93/28/1003599328.db2.gz	IFWPKPHUFKVOBC-OPYAIIAOSA-N	1	0	355.482	1.700	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOC[C@H]2CCCO2)cn1	ZINC001111295589	1003724775	/nfs/dbraw/zinc/72/47/75/1003724775.db2.gz	VXSQDOVMWPHFSS-WTGUMLROSA-N	1	0	369.465	1.594	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1	ZINC000949878221	1003769030	/nfs/dbraw/zinc/76/90/30/1003769030.db2.gz	RDQYRKMEVIARQL-KBRIMQKVSA-N	1	0	357.458	1.337	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOC[C@H]2CCCO2)c1	ZINC001111001457	1003774365	/nfs/dbraw/zinc/77/43/65/1003774365.db2.gz	DKVHWAMHPNLDFD-WTGUMLROSA-N	1	0	369.465	1.594	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](CS(=O)(=O)NC)C2)cc1	ZINC000931339556	1004070458	/nfs/dbraw/zinc/07/04/58/1004070458.db2.gz	YEYHVIRINOZPBQ-INIZCTEOSA-N	1	0	363.483	1.258	20	30		FDEDRO
CC[C@H]1NC(=O)N(c2cccc(NC(=O)NCC#CC[NH+](C)C)c2)C1=O	ZINC000931504736	1004224168	/nfs/dbraw/zinc/22/41/68/1004224168.db2.gz	KHKWLRAOUKRLMT-OAHLLOKOSA-N	1	0	357.414	1.208	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3cc(C#N)ccc3F)CC[C@@H]21	ZINC000931595297	1004299376	/nfs/dbraw/zinc/29/93/76/1004299376.db2.gz	GSEXUSWOZMKUQU-YOEHRIQHSA-N	1	0	358.417	1.256	20	30		FDEDRO
C[C@@]1(C2CC[NH+](C[C@@H](O)COc3ccc(CC#N)cc3)CC2)COC(=O)N1	ZINC000932088535	1004762900	/nfs/dbraw/zinc/76/29/00/1004762900.db2.gz	FHHRQIOSWPAHAJ-XLIONFOSSA-N	1	0	373.453	1.703	20	30		FDEDRO
COC(=O)C[C@@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@H]1C	ZINC000932102110	1004770769	/nfs/dbraw/zinc/77/07/69/1004770769.db2.gz	YCORFEVEPBLGPZ-HUUCEWRRSA-N	1	0	354.406	1.417	20	30		FDEDRO
CCO[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)C[NH+](C)C	ZINC000932471557	1004975942	/nfs/dbraw/zinc/97/59/42/1004975942.db2.gz	XDSSHHQBZIEOHM-YOEHRIQHSA-N	1	0	360.458	1.161	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1C#N	ZINC000932472719	1004976226	/nfs/dbraw/zinc/97/62/26/1004976226.db2.gz	GXAHKZSUWRZEQR-UHFFFAOYSA-N	1	0	368.481	1.960	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1C#N	ZINC000932478161	1004980018	/nfs/dbraw/zinc/98/00/18/1004980018.db2.gz	YXWMSVKGZRGRJC-GOSISDBHSA-N	1	0	354.454	1.616	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1C#N	ZINC000932479001	1004981244	/nfs/dbraw/zinc/98/12/44/1004981244.db2.gz	VDIAESVTDWRNKI-GOSISDBHSA-N	1	0	368.481	1.673	20	30		FDEDRO
COc1ncc(NC(=O)NC2CC[NH+](CCOC(C)C)CC2)cc1C#N	ZINC000932512707	1004995840	/nfs/dbraw/zinc/99/58/40/1004995840.db2.gz	FABQSRNMHNSZSM-UHFFFAOYSA-N	1	0	361.446	1.973	20	30		FDEDRO
COc1ncc(NC(=O)N2CCC([NH2+]C3CCOCC3)CC2)cc1C#N	ZINC000932519437	1004998496	/nfs/dbraw/zinc/99/84/96/1004998496.db2.gz	ZBISGAHAILORMW-UHFFFAOYSA-N	1	0	359.430	1.727	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH+]2CCC([C@H]3COC(=O)N3)CC2)cc1	ZINC000932770832	1005159483	/nfs/dbraw/zinc/15/94/83/1005159483.db2.gz	NLEGMHZUOSUBGP-SJLPKXTDSA-N	1	0	359.426	1.313	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)OCc1ccncc1)C2	ZINC001111040650	1005165976	/nfs/dbraw/zinc/16/59/76/1005165976.db2.gz	VGEOKSWQVKKJHQ-OWYHZJEWSA-N	1	0	359.470	1.911	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH+]3CCC([C@H]4COC(=O)N4)CC3)C2=O)cc1	ZINC000932778566	1005166620	/nfs/dbraw/zinc/16/66/20/1005166620.db2.gz	WSCHRBHPRQAVJX-MSOLQXFVSA-N	1	0	368.437	1.874	20	30		FDEDRO
O=C1NCC[C@@H]1[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F	ZINC000932943333	1005260543	/nfs/dbraw/zinc/26/05/43/1005260543.db2.gz	UCWXZZVQDNAWEK-ACZMJKKPSA-N	1	0	352.225	1.978	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)N3CCN(CC[NH+](C)C)C(=O)C3)cc21	ZINC000933083620	1005343832	/nfs/dbraw/zinc/34/38/32/1005343832.db2.gz	HPHCBQCFEBDAAL-UHFFFAOYSA-N	1	0	370.457	1.460	20	30		FDEDRO
CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1	ZINC001111050781	1005504110	/nfs/dbraw/zinc/50/41/10/1005504110.db2.gz	UNJAPTHTMDKIOS-HCXYKTFWSA-N	1	0	354.454	1.694	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCNC(=O)[C@@H]2CC)c(OC)c1	ZINC000933224692	1005518709	/nfs/dbraw/zinc/51/87/09/1005518709.db2.gz	FIFVBXREANZNRV-IRXDYDNUSA-N	1	0	362.470	1.764	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2=O)CC1	ZINC000933355820	1005545702	/nfs/dbraw/zinc/54/57/02/1005545702.db2.gz	UGXHBLPGLZRYMO-AWEZNQCLSA-N	1	0	359.392	1.391	20	30		FDEDRO
C#CCOc1cccc(Cl)c1C[NH2+]CC1(O)CCS(=O)(=O)CC1	ZINC000778173755	1005564741	/nfs/dbraw/zinc/56/47/41/1005564741.db2.gz	XUZIBWCAGCELCN-UHFFFAOYSA-N	1	0	357.859	1.381	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccncc1Cl)C2	ZINC001111060136	1005635885	/nfs/dbraw/zinc/63/58/85/1005635885.db2.gz	JRNRTKGWNBWMTC-OJDYBEQGSA-N	1	0	362.861	1.761	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)C2	ZINC001111069919	1005708724	/nfs/dbraw/zinc/70/87/24/1005708724.db2.gz	WGJAZTSQRGNOFF-KBXIAJHMSA-N	1	0	350.463	1.276	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCCOC	ZINC001111073478	1005736147	/nfs/dbraw/zinc/73/61/47/1005736147.db2.gz	MCPDTTZUPHYCDD-TWMKSMIVSA-N	1	0	354.491	1.334	20	30		FDEDRO
C#CCNC(=O)CC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CCOC	ZINC000934528025	1005757287	/nfs/dbraw/zinc/75/72/87/1005757287.db2.gz	DSXDNLHRNLDNOZ-HNNXBMFYSA-N	1	0	353.463	1.084	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@@H]3CSC[C@]3(C)C2)CC1	ZINC000934771863	1005798025	/nfs/dbraw/zinc/79/80/25/1005798025.db2.gz	ZDEFMUCNMSIAIT-NUJGCVRESA-N	1	0	350.532	1.364	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000935302553	1005885825	/nfs/dbraw/zinc/88/58/25/1005885825.db2.gz	GKHQBPZAVPURDY-GOSISDBHSA-N	1	0	370.453	1.281	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NC[C@H]3Cc4ccccc4O3)=[NH+]C[C@H]2C1	ZINC000089120467	1006010603	/nfs/dbraw/zinc/01/06/03/1006010603.db2.gz	PASZGCBBXFAXPW-JKSUJKDBSA-N	1	0	372.469	1.871	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cccn1	ZINC001111107014	1006075672	/nfs/dbraw/zinc/07/56/72/1006075672.db2.gz	FJHKNUGUWMHGSG-TVFCKZIOSA-N	1	0	359.474	1.076	20	30		FDEDRO
COC(=O)N1CCC([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000778543227	1006434167	/nfs/dbraw/zinc/43/41/67/1006434167.db2.gz	JWWRBCOHWYXACA-KRWDZBQOSA-N	1	0	356.426	1.874	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CN(C(=O)C[N@H+](C)C2CCC2)C1	ZINC000954382689	1006654540	/nfs/dbraw/zinc/65/45/40/1006654540.db2.gz	ICOWZYNZYZJKHU-HKUYNNGSSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1	ZINC000954404900	1006722287	/nfs/dbraw/zinc/72/22/87/1006722287.db2.gz	QUGFNPKACJEPBN-SQNIBIBYSA-N	1	0	363.502	1.510	20	30		FDEDRO
CN1c2ccccc2N(C)C1=C1C(=N)N(C[C@@H]2CCC[N@H+](C)C2)CC1=O	ZINC000246525834	1007137221	/nfs/dbraw/zinc/13/72/21/1007137221.db2.gz	JGQHIVSVMKMHFC-CQSZACIVSA-N	1	0	353.470	1.988	20	30		FDEDRO
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000641841124	1007189407	/nfs/dbraw/zinc/18/94/07/1007189407.db2.gz	MAEOWPIOHFCPBX-GBESFXJTSA-N	1	0	362.518	1.676	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCCC(N)=O)C3)cc1	ZINC001111260235	1007276379	/nfs/dbraw/zinc/27/63/79/1007276379.db2.gz	LSVGWWUQDGEYJA-KURKYZTESA-N	1	0	354.454	1.825	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC(=O)NCCCOC)C2	ZINC001111262591	1007329280	/nfs/dbraw/zinc/32/92/80/1007329280.db2.gz	YKEMIEXMHCTDJB-ZACQAIPSSA-N	1	0	351.491	1.607	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c([nH]c1=O)CCOC3)C2	ZINC001111263245	1007333948	/nfs/dbraw/zinc/33/39/48/1007333948.db2.gz	HTVAHMGBJJAQNY-OLMNPRSZSA-N	1	0	373.453	1.398	20	30		FDEDRO
C=CCc1cc(C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c(O)c(OC)c1	ZINC000795658986	1007501021	/nfs/dbraw/zinc/50/10/21/1007501021.db2.gz	RNYIYHHOVGIKBX-MRXNPFEDSA-N	1	0	368.499	1.985	20	30		FDEDRO
N#Cc1cccn(CN2CCC[C@H](CNC(=O)CC(F)(F)F)C2)c1=O	ZINC000795659382	1007541264	/nfs/dbraw/zinc/54/12/64/1007541264.db2.gz	YCFZGFRSPVKOSV-GFCCVEGCSA-N	1	0	356.348	1.458	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCCN1C(=O)C[NH+]1CCCC1	ZINC000956021924	1007773557	/nfs/dbraw/zinc/77/35/57/1007773557.db2.gz	UFLHDVYXPDUIAP-LNLFQRSKSA-N	1	0	363.502	1.561	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC000947659219	1007794541	/nfs/dbraw/zinc/79/45/41/1007794541.db2.gz	JEPGGVYNKXEPPU-OXQOHEQNSA-N	1	0	367.493	1.658	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2CCCN2C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)c1	ZINC000956037657	1007801860	/nfs/dbraw/zinc/80/18/60/1007801860.db2.gz	DGGBGHDEWSRWLH-GBESFXJTSA-N	1	0	368.481	1.514	20	30		FDEDRO
C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1	ZINC000091282336	1007943119	/nfs/dbraw/zinc/94/31/19/1007943119.db2.gz	KXSJYTXJSCDSED-HNNXBMFYSA-N	1	0	371.485	1.679	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1	ZINC000956379237	1008062852	/nfs/dbraw/zinc/06/28/52/1008062852.db2.gz	SYOOWUSQVFJXSE-IKGGRYGDSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1	ZINC000956500796	1008183537	/nfs/dbraw/zinc/18/35/37/1008183537.db2.gz	IZNOWJPZSCEKLT-BBWFWOEESA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C3(C)CCCC3)C[C@H]2C)CC1	ZINC000957317788	1008188508	/nfs/dbraw/zinc/18/85/08/1008188508.db2.gz	SYUYWFRJNPYZAB-SJLPKXTDSA-N	1	0	359.514	1.875	20	30		FDEDRO
C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccccc2C#N)CCC(=O)NC1	ZINC001095901244	1008622213	/nfs/dbraw/zinc/62/22/13/1008622213.db2.gz	OTIZZQDMNWYJDS-WKRCXCSHSA-N	1	0	366.465	1.696	20	30		FDEDRO
C=CCn1cc(C(=O)N(C)CCN2CC[NH+](Cc3ccccc3)CC2)nn1	ZINC000648900947	1008719846	/nfs/dbraw/zinc/71/98/46/1008719846.db2.gz	KLSIOUAGYNEVAX-UHFFFAOYSA-N	1	0	368.485	1.354	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccn2c[nH+]cc2c1	ZINC000950230831	1008913415	/nfs/dbraw/zinc/91/34/15/1008913415.db2.gz	MYBDXVDIIXJUNC-JQHSSLGASA-N	1	0	368.437	1.646	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1	ZINC000950248421	1008954845	/nfs/dbraw/zinc/95/48/45/1008954845.db2.gz	WUZHTGGJEYILQW-HHXXYDBFSA-N	1	0	369.465	1.370	20	30		FDEDRO
N#Cc1cc(C(=O)N2CCC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)c[nH]1	ZINC000950517268	1009251097	/nfs/dbraw/zinc/25/10/97/1009251097.db2.gz	KSXMJNLRYSOMML-BPLDGKMQSA-N	1	0	352.398	1.134	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C3CCC3)C[C@H]2C)CC1	ZINC000950592198	1009354918	/nfs/dbraw/zinc/35/49/18/1009354918.db2.gz	QOKAPGWZBUKTSN-GPMSIDNRSA-N	1	0	359.514	1.731	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccoc2CCC)C1	ZINC000950648557	1009469160	/nfs/dbraw/zinc/46/91/60/1009469160.db2.gz	QKCPXHMQGVJJCP-NXHRZFHOSA-N	1	0	371.481	1.906	20	30		FDEDRO
Cc1nc(NC2CC[NH+](CCNC(=O)[C@H]3CC[C@@H](C)O3)CC2)ccc1C#N	ZINC001111322462	1009591951	/nfs/dbraw/zinc/59/19/51/1009591951.db2.gz	LFLKHMFVKGTDSI-RDTXWAMCSA-N	1	0	371.485	1.822	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH+]1CCC(Nc2ncccn2)CC1	ZINC001111323708	1009615573	/nfs/dbraw/zinc/61/55/73/1009615573.db2.gz	RERRDDLMUAKHIL-IRXDYDNUSA-N	1	0	359.474	1.450	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@@H]2CCCNC2=O)CCOCC1	ZINC001111332644	1009712923	/nfs/dbraw/zinc/71/29/23/1009712923.db2.gz	JGNYEKKSFQWDHN-WCXIOVBPSA-N	1	0	361.486	1.359	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1nc(C)n(C)c1=O)C2	ZINC001111338843	1010043883	/nfs/dbraw/zinc/04/38/83/1010043883.db2.gz	YFACKMVXBKAWSY-ZACQAIPSSA-N	1	0	361.490	1.358	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)C(N)=O)C2	ZINC001111747687	1010080942	/nfs/dbraw/zinc/08/09/42/1010080942.db2.gz	MWMYWSMXNKGCGN-BXWFABGCSA-N	1	0	351.491	1.594	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nc3nc(C)cc(C)n3n1)C2	ZINC001111345802	1010360290	/nfs/dbraw/zinc/36/02/90/1010360290.db2.gz	PEUYFVYZIZWWJQ-OAGGEKHMSA-N	1	0	370.457	1.279	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C	ZINC000959657362	1010391407	/nfs/dbraw/zinc/39/14/07/1010391407.db2.gz	UEKNFROAIAAJRH-MBOZVWFJSA-N	1	0	367.493	1.658	20	30		FDEDRO
CCN(CC)c1ccc(CNC(=[NH2+])NCCCN2CCOCC2)cc1F	ZINC000304757620	1010477520	/nfs/dbraw/zinc/47/75/20/1010477520.db2.gz	OZUAPHUHBLMKFU-UHFFFAOYSA-N	1	0	365.497	1.799	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@H]2OCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@H]2C1	ZINC000960656999	1010553650	/nfs/dbraw/zinc/55/36/50/1010553650.db2.gz	DYNRBFQHNJCQMS-IXDOHACOSA-N	1	0	363.502	1.369	20	30		FDEDRO
CC(C)N1CCO[C@H](C(=[NH2+])NOCc2nnc(-c3ccc(C#N)cc3)o2)C1	ZINC000779654249	1010661069	/nfs/dbraw/zinc/66/10/69/1010661069.db2.gz	NVBVOXOCRXPKCI-HNNXBMFYSA-N	1	0	370.413	1.716	20	30		FDEDRO
C[NH+]=C(NCCCO[C@H]1CCCc2ccccc21)NCCN1CCOCC1	ZINC000080359394	1010922597	/nfs/dbraw/zinc/92/25/97/1010922597.db2.gz	CVOAHRHKMBZLFJ-FQEVSTJZSA-N	1	0	374.529	1.968	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H]2CCNC(=O)CC2)cc1	ZINC001095854075	1011890678	/nfs/dbraw/zinc/89/06/78/1011890678.db2.gz	KISCGTGXIHDECV-LMCOJAPRSA-N	1	0	365.477	1.919	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CCN3C(=O)[C@@H]2C[C@H]2CC)CC1	ZINC000963214121	1011992750	/nfs/dbraw/zinc/99/27/50/1011992750.db2.gz	MVLCPZZNHWERLU-VBSBHUPXSA-N	1	0	371.525	1.970	20	30		FDEDRO
CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1	ZINC000961377979	1012305343	/nfs/dbraw/zinc/30/53/43/1012305343.db2.gz	JIFBSDKEAXMGHJ-MISYRCLQSA-N	1	0	361.530	1.679	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+](CCO)C2)CC1	ZINC000961425683	1012363138	/nfs/dbraw/zinc/36/31/38/1012363138.db2.gz	ZKRLERPBBJSXKA-FHWLQOOXSA-N	1	0	350.503	1.911	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(c3nc(C)cc(C#N)n3)CC2)CC[N@@H+]1C	ZINC001066798896	1012571558	/nfs/dbraw/zinc/57/15/58/1012571558.db2.gz	WDYWHRJYHBIZJU-BPQIPLTHSA-N	1	0	370.501	1.862	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1	ZINC000635997259	1012660493	/nfs/dbraw/zinc/66/04/93/1012660493.db2.gz	SQZIAUXTOZFMSS-WBVHZDCISA-N	1	0	358.442	1.767	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1nonc1C)C2	ZINC000963815852	1012731263	/nfs/dbraw/zinc/73/12/63/1012731263.db2.gz	MDYCPRZXYMRTIZ-UPXXNAHYSA-N	1	0	360.458	1.876	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1	ZINC000650865271	1012860220	/nfs/dbraw/zinc/86/02/20/1012860220.db2.gz	AMXYAJCCKGGJJJ-UHFFFAOYSA-N	1	0	360.458	1.167	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2c(C)nnn2CC)C1	ZINC000961854389	1012946678	/nfs/dbraw/zinc/94/66/78/1012946678.db2.gz	WIXQAEYXIDQUQF-IOTAOYMUSA-N	1	0	361.490	1.572	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(C(=O)C#CC4CC4)C[C@H]3CC2)CC[N@@H+]1C	ZINC000967352352	1017414156	/nfs/dbraw/zinc/41/41/56/1017414156.db2.gz	JIFVUXYWQSQMMI-ZGXWSNOMSA-N	1	0	371.525	1.827	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@@H]3CN3CCOCC3)C2=O)cc1	ZINC000192604573	178122838	/nfs/dbraw/zinc/12/28/38/178122838.db2.gz	JJGXQDLTRBSFCJ-WOJBJXKFSA-N	1	0	368.481	1.850	20	30		FDEDRO
C=CCn1c(CNC(=O)c2ccco2)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1	ZINC000508888419	538938153	/nfs/dbraw/zinc/93/81/53/538938153.db2.gz	NPPMCCLMFFTRIJ-HNNXBMFYSA-N	1	0	372.473	1.764	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccccc1C#N)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1	ZINC000245442989	178359263	/nfs/dbraw/zinc/35/92/63/178359263.db2.gz	WSZKQWGBBHFNQH-PKOBYXMFSA-N	1	0	369.513	1.987	20	30		FDEDRO
C[C@H]1C[C@H](CCNS(=O)(=O)N(C)CCC#N)C[N@@H+]1Cc1ccccc1	ZINC000513078425	538985087	/nfs/dbraw/zinc/98/50/87/538985087.db2.gz	ZXMKOEASSPAFDL-WMZOPIPTSA-N	1	0	364.515	1.967	20	30		FDEDRO
C=C(C)CN1CCC([NH2+]C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)CC1	ZINC000517024951	539343255	/nfs/dbraw/zinc/34/32/55/539343255.db2.gz	MDLVOABXSOKOKV-GOSISDBHSA-N	1	0	373.497	1.941	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1	ZINC000517025389	539343310	/nfs/dbraw/zinc/34/33/10/539343310.db2.gz	QESBQKIMAGVFQF-HZPDHXFCSA-N	1	0	366.456	1.725	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CCC(=O)NC(=O)Nc1ccccc1	ZINC000518333940	539408446	/nfs/dbraw/zinc/40/84/46/539408446.db2.gz	QOUHWTWNAMKJLX-UHFFFAOYSA-N	1	0	369.429	1.466	20	30		FDEDRO
CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000263997189	179011975	/nfs/dbraw/zinc/01/19/75/179011975.db2.gz	YEFJUQXEQZAQDO-UHFFFAOYSA-N	1	0	368.384	1.945	20	30		FDEDRO
CCO[C@@H]1C[C@H](O)C12CC[NH+](C[C@@H](O)COc1ccccc1C#N)CC2	ZINC000528390179	539755376	/nfs/dbraw/zinc/75/53/76/539755376.db2.gz	WFFSTEQTMGAIDW-NZSAHSFTSA-N	1	0	360.454	1.550	20	30		FDEDRO
CN(CC#CCN1C(=O)c2ccccc2C1=O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000528507888	539763523	/nfs/dbraw/zinc/76/35/23/539763523.db2.gz	VOAPLRFJDZGIQT-SJPCQFCGSA-N	1	0	351.450	1.843	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2ccc(C#N)cc2F)CCSC1	ZINC000269364819	180284979	/nfs/dbraw/zinc/28/49/79/180284979.db2.gz	WWZYADURUWRIDC-INIZCTEOSA-N	1	0	350.419	1.189	20	30		FDEDRO
COCCCNC(=O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000269623119	180343821	/nfs/dbraw/zinc/34/38/21/180343821.db2.gz	NPIZYYITWQQXMB-UHFFFAOYSA-N	1	0	358.442	1.361	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1	ZINC000269589504	180336238	/nfs/dbraw/zinc/33/62/38/180336238.db2.gz	RXTAJGANZFXTDD-INIZCTEOSA-N	1	0	372.469	1.990	20	30		FDEDRO
Cc1cc(N2CCC[C@@H]([NH2+]C[C@H](O)COc3ccccc3C#N)C2)n(C)n1	ZINC000530234642	539916374	/nfs/dbraw/zinc/91/63/74/539916374.db2.gz	SETHTKQVUOSUPA-MSOLQXFVSA-N	1	0	369.469	1.599	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCN2C2CCCCC2)nc1	ZINC000530236405	539916757	/nfs/dbraw/zinc/91/67/57/539916757.db2.gz	OAFWRMBNXQPXHV-KRWDZBQOSA-N	1	0	362.499	1.724	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)c1C#N	ZINC000530513782	539989152	/nfs/dbraw/zinc/98/91/52/539989152.db2.gz	RYECEONKQCXVDI-SJORKVTESA-N	1	0	371.489	1.059	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)n(CCC#N)n1	ZINC000532569165	540174780	/nfs/dbraw/zinc/17/47/80/540174780.db2.gz	QPKHMGSQRCXEEZ-UHFFFAOYSA-N	1	0	372.429	1.227	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)n(CCC#N)n1	ZINC000532611287	540177284	/nfs/dbraw/zinc/17/72/84/540177284.db2.gz	PVYKPYXLCZZODZ-HNNXBMFYSA-N	1	0	360.462	1.280	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1	ZINC000275087700	181234736	/nfs/dbraw/zinc/23/47/36/181234736.db2.gz	GVZBGKURJPKYHT-ZDUSSCGKSA-N	1	0	368.359	1.887	20	30		FDEDRO
CN1CCN(C(=O)CC[N@@H+]2CCCN(c3ccccc3C#N)CC2)CC1	ZINC000275244874	181269486	/nfs/dbraw/zinc/26/94/86/181269486.db2.gz	OCELZUOOYCGSNX-UHFFFAOYSA-N	1	0	355.486	1.234	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCCC[N@H+]2CCCC[C@H]2C)n(CCC#N)n1	ZINC000533466615	540251414	/nfs/dbraw/zinc/25/14/14/540251414.db2.gz	ZDHLMBPYIFBINY-OAHLLOKOSA-N	1	0	360.462	1.424	20	30		FDEDRO
COCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2cccc(C(=O)OC)c2C#N)C1	ZINC000534487144	540372500	/nfs/dbraw/zinc/37/25/00/540372500.db2.gz	NUYAOGUQONGBEX-ZBFHGGJFSA-N	1	0	373.453	1.708	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NCCNc3cc[nH+]cc3)cc2C1=O	ZINC000536013817	540538610	/nfs/dbraw/zinc/53/86/10/540538610.db2.gz	BHWKKAUBHIESRE-UHFFFAOYSA-N	1	0	350.378	1.127	20	30		FDEDRO
C[NH2+]CCCc1[n-][nH]c(=NC(=O)[C@@H](c2ccccc2)n2cccn2)c1C#N	ZINC000536304516	540577050	/nfs/dbraw/zinc/57/70/50/540577050.db2.gz	BUZUFRLPOOVCCY-QGZVFWFLSA-N	1	0	363.425	1.858	20	30		FDEDRO
CS[C@@H]1CN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C[C@H]1[NH+](C)C	ZINC000536333503	540580194	/nfs/dbraw/zinc/58/01/94/540580194.db2.gz	MWESAFFXSIZMOP-HZPDHXFCSA-N	1	0	370.482	1.444	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH+]1CCN(Cc2noc(C(C)(C)C)n2)CC1	ZINC000536470580	540599094	/nfs/dbraw/zinc/59/90/94/540599094.db2.gz	GZRPWECPMCBGSR-UHFFFAOYSA-N	1	0	362.478	1.247	20	30		FDEDRO
CC[C@H]([NH2+]CC(=O)NCC#N)c1ccccc1OCC(=O)N1CCCC1	ZINC000537049719	540678925	/nfs/dbraw/zinc/67/89/25/540678925.db2.gz	PEAYXQUKGDVFGF-INIZCTEOSA-N	1	0	358.442	1.368	20	30		FDEDRO
C=CC[C@@H](CO)CNC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1	ZINC000537085323	540683146	/nfs/dbraw/zinc/68/31/46/540683146.db2.gz	VAQQRNYJPBNJPS-UYAOXDASSA-N	1	0	374.529	1.849	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+]C2(CCO)CCCCC2)CC1	ZINC000539249271	540939914	/nfs/dbraw/zinc/93/99/14/540939914.db2.gz	YWLRSQPIJXVHLP-QGZVFWFLSA-N	1	0	350.507	1.354	20	30		FDEDRO
C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1	ZINC000539270608	540941781	/nfs/dbraw/zinc/94/17/81/540941781.db2.gz	NRLZAEYNADEJII-QGZVFWFLSA-N	1	0	359.470	1.912	20	30		FDEDRO
C[C@@H]1[C@@H](C)[N@H+](C)CCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000540053119	541022971	/nfs/dbraw/zinc/02/29/71/541022971.db2.gz	RIHVZDIJFOWHAX-HUUCEWRRSA-N	1	0	352.442	1.707	20	30		FDEDRO
C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1	ZINC000540369193	541051352	/nfs/dbraw/zinc/05/13/52/541051352.db2.gz	LMUQZHGGCNOFFQ-QGZVFWFLSA-N	1	0	359.470	1.564	20	30		FDEDRO
COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[NH+]1CCC(CC#N)CC1	ZINC000541025199	541137976	/nfs/dbraw/zinc/13/79/76/541137976.db2.gz	VNFMGKOWFUIGCA-SFHVURJKSA-N	1	0	355.438	1.739	20	30		FDEDRO
C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]2C[NH2+]CCO2)nc1C	ZINC000269214592	674107819	/nfs/dbraw/zinc/10/78/19/674107819.db2.gz	SXYXBSLSLSVSJJ-SECBINFHSA-N	1	0	366.472	1.112	20	30		FDEDRO
CCC[C@@](C)([NH3+])C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1	ZINC000269273727	674108464	/nfs/dbraw/zinc/10/84/64/674108464.db2.gz	YJKSMXDSQMCTNM-FABDANFUSA-N	1	0	366.487	1.955	20	30		FDEDRO
C[C@@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1C#N)[N@@H+]1CCCC[C@@H]1C	ZINC000543753733	541653164	/nfs/dbraw/zinc/65/31/64/541653164.db2.gz	JKJAXVCWSJUQGJ-KBPBESRZSA-N	1	0	361.494	1.700	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C)c2cnn(C(C)C)c2)CC1	ZINC000544468630	541772666	/nfs/dbraw/zinc/77/26/66/541772666.db2.gz	MNOXZOUXAIFGSG-AEFFLSMTSA-N	1	0	360.506	1.807	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2cccc(C#N)n2)CC1	ZINC000544840399	541840346	/nfs/dbraw/zinc/84/03/46/541840346.db2.gz	QUMXNXXVNVCAFL-QGZVFWFLSA-N	1	0	356.474	1.659	20	30		FDEDRO
C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1	ZINC000544851926	541842818	/nfs/dbraw/zinc/84/28/18/541842818.db2.gz	HXIUOQFJPAXXCZ-NVXWUHKLSA-N	1	0	356.474	1.658	20	30		FDEDRO
COc1cc(C[NH+]2CCC(CNC(=O)c3cnn(C)c3)CC2)ccc1C#N	ZINC000282397697	182004410	/nfs/dbraw/zinc/00/44/10/182004410.db2.gz	RMVDDQQYFCWODX-UHFFFAOYSA-N	1	0	367.453	1.942	20	30		FDEDRO
Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NCc2cccc(C#N)c2)o1	ZINC000283845690	182290791	/nfs/dbraw/zinc/29/07/91/182290791.db2.gz	FLBFIWGDFKCTPI-UHFFFAOYSA-N	1	0	368.437	1.666	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C	ZINC000545295371	541928317	/nfs/dbraw/zinc/92/83/17/541928317.db2.gz	VOYWCPVVJPWNQH-AWEZNQCLSA-N	1	0	358.442	1.886	20	30		FDEDRO
C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1	ZINC000284013566	182342585	/nfs/dbraw/zinc/34/25/85/182342585.db2.gz	NSTDMFODXKGNSY-LSDHHAIUSA-N	1	0	356.470	1.924	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)NCc1cccc(C#N)c1)[N@H+](C)Cc1ccccc1	ZINC000284160382	182383379	/nfs/dbraw/zinc/38/33/79/182383379.db2.gz	XYXPKKLLBOTFOU-MRXNPFEDSA-N	1	0	364.449	1.811	20	30		FDEDRO
CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCN(c2cccc(C#N)n2)CC1	ZINC000545546582	541997201	/nfs/dbraw/zinc/99/72/01/541997201.db2.gz	PPMXNWJZXNQSNX-LJQANCHMSA-N	1	0	371.485	1.395	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+][C@H]3COC[C@H]3n3ccnn3)CC2)cc1	ZINC000284848465	182632228	/nfs/dbraw/zinc/63/22/28/182632228.db2.gz	QHMRETPQFUQICH-RBUKOAKNSA-N	1	0	352.442	1.344	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C	ZINC000545898755	542043471	/nfs/dbraw/zinc/04/34/71/542043471.db2.gz	JVYQCKREYSPMGY-CVEARBPZSA-N	1	0	365.441	2.148	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000546605882	542181196	/nfs/dbraw/zinc/18/11/96/542181196.db2.gz	COIHBRHKXVLELZ-HOCLYGCPSA-N	1	0	367.457	2.394	20	30		FDEDRO
CC[NH+](CC)[C@H](CNC(=O)NCCn1cnc(C#N)n1)c1ccccc1	ZINC000286806732	183149885	/nfs/dbraw/zinc/14/98/85/183149885.db2.gz	VHUSEQJRGBBPIZ-MRXNPFEDSA-N	1	0	355.446	1.532	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1	ZINC000546711997	542207349	/nfs/dbraw/zinc/20/73/49/542207349.db2.gz	RTTMPRZVZVAANX-KBPBESRZSA-N	1	0	358.442	1.742	20	30		FDEDRO
CC1(C)CN(C(=O)NCCn2cnc(C#N)n2)CC[N@@H+]1Cc1ccccc1	ZINC000287684531	183356073	/nfs/dbraw/zinc/35/60/73/183356073.db2.gz	ACMHXQZPTZLTCW-UHFFFAOYSA-N	1	0	367.457	1.456	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1CCSC1	ZINC000288092199	183391952	/nfs/dbraw/zinc/39/19/52/183391952.db2.gz	ADMSJVYEKCKBGD-QGZVFWFLSA-N	1	0	374.510	1.318	20	30		FDEDRO
CC[C@H](CNS(C)(=O)=O)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1	ZINC000295030128	184028836	/nfs/dbraw/zinc/02/88/36/184028836.db2.gz	LMEHWMJPRXECFG-OAHLLOKOSA-N	1	0	350.488	1.444	20	30		FDEDRO
Cc1nccn1CC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000297537478	184283793	/nfs/dbraw/zinc/28/37/93/184283793.db2.gz	BKGMXYBPKGQWKF-UHFFFAOYSA-N	1	0	360.421	1.960	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)Cc1ccc(C#N)cc1	ZINC000297944901	184360049	/nfs/dbraw/zinc/36/00/49/184360049.db2.gz	TZBXFGGTPODIHO-MSOLQXFVSA-N	1	0	354.454	1.602	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21	ZINC000547312215	542309280	/nfs/dbraw/zinc/30/92/80/542309280.db2.gz	CBEVZZLKJMTQGI-HZPDHXFCSA-N	1	0	365.441	2.005	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2nnn(C)n2)[C@H](C[NH2+]Cc2ccc(C#N)s2)C1	ZINC001087200975	781977733	/nfs/dbraw/zinc/97/77/33/781977733.db2.gz	WQCQPEJJEHHGRZ-NEPJUHHUSA-N	1	0	359.459	1.174	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)cc1C#N	ZINC000129449174	258262288	/nfs/dbraw/zinc/26/22/88/258262288.db2.gz	AGDCQZWWFKJDFJ-AWEZNQCLSA-N	1	0	366.464	1.553	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)c1	ZINC000286211640	675892687	/nfs/dbraw/zinc/89/26/87/675892687.db2.gz	SQLHHVPTIGIJBE-XJKCOSOUSA-N	1	0	351.472	1.267	20	30		FDEDRO
Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1S(N)(=O)=O	ZINC000548932936	542810057	/nfs/dbraw/zinc/81/00/57/542810057.db2.gz	JOCUXMFXFUKMHI-ZDUSSCGKSA-N	1	0	372.450	1.803	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]CCOc2ccc3c(c2)OCO3)cc1	ZINC000548948760	542812856	/nfs/dbraw/zinc/81/28/56/542812856.db2.gz	MJHDBCJAEQVBTB-INIZCTEOSA-N	1	0	370.405	1.890	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2ccc(OC)c(F)c2)CC1	ZINC000550130266	543015723	/nfs/dbraw/zinc/01/57/23/543015723.db2.gz	UAAOHEWUSBAGEF-CYBMUJFWSA-N	1	0	363.433	1.778	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1)c1ccc(C#N)cc1	ZINC000550583676	543130809	/nfs/dbraw/zinc/13/08/09/543130809.db2.gz	DDLCTSKNZHAVFB-NXVRBGIVSA-N	1	0	356.470	1.972	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)NCC[NH+]1CCC(C)CC1	ZINC000551014083	543215863	/nfs/dbraw/zinc/21/58/63/543215863.db2.gz	PNVJFHVVJFPLGZ-UHFFFAOYSA-N	1	0	359.470	1.716	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCN(C2CC2)CC1)C(C)C	ZINC000551217318	543253656	/nfs/dbraw/zinc/25/36/56/543253656.db2.gz	LQGQTUIHEZQCBM-GOSISDBHSA-N	1	0	362.518	1.108	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C(C)(C)O)C(C)C	ZINC000551222514	543254704	/nfs/dbraw/zinc/25/47/04/543254704.db2.gz	QGYPNGGJQOPTMU-IAGOWNOFSA-N	1	0	365.518	1.563	20	30		FDEDRO
[NH2+]=C(NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)NC1CC1	ZINC000270143361	674171160	/nfs/dbraw/zinc/17/11/60/674171160.db2.gz	RXCQYFDXAORURO-UHFFFAOYSA-N	1	0	354.451	1.436	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+][C@H]3CCCN(CC(F)(F)F)C3=O)n2c1	ZINC000551803236	543343570	/nfs/dbraw/zinc/34/35/70/543343570.db2.gz	NTZOVFFZEPVRNE-ZDUSSCGKSA-N	1	0	351.332	1.849	20	30		FDEDRO
COCCO[C@H]1COCC[C@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1	ZINC000552066335	543413340	/nfs/dbraw/zinc/41/33/40/543413340.db2.gz	GATVWYSGWNCOCT-UXHICEINSA-N	1	0	359.470	1.937	20	30		FDEDRO
N#CCCCCNC(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1	ZINC000552425724	543465135	/nfs/dbraw/zinc/46/51/35/543465135.db2.gz	GWPFRMXFPURFCC-GOSISDBHSA-N	1	0	356.470	1.477	20	30		FDEDRO
COc1cc(C#N)ccc1OCCN1CC[NH+](CC2CCOCC2)CC1	ZINC000077318059	172124537	/nfs/dbraw/zinc/12/45/37/172124537.db2.gz	GDGVTLCGWYGVRT-UHFFFAOYSA-N	1	0	359.470	1.990	20	30		FDEDRO
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)n1	ZINC000091239063	172280395	/nfs/dbraw/zinc/28/03/95/172280395.db2.gz	IZZHZPPPBGLOBS-CQSZACIVSA-N	1	0	372.473	1.393	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1	ZINC000093277001	172316021	/nfs/dbraw/zinc/31/60/21/172316021.db2.gz	OOWRUSSOEIBTIY-UHFFFAOYSA-N	1	0	363.421	1.925	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1	ZINC000126097740	173029259	/nfs/dbraw/zinc/02/92/59/173029259.db2.gz	CCLZWYTUIQIAKD-KRWDZBQOSA-N	1	0	368.485	1.802	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1	ZINC000127418032	173075514	/nfs/dbraw/zinc/07/55/14/173075514.db2.gz	XUQZZUCWJHGSHI-QZTJIDSGSA-N	1	0	370.453	1.381	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1	ZINC000127420499	173075700	/nfs/dbraw/zinc/07/57/00/173075700.db2.gz	NBBQJCGVFOCJKI-ROUUACIJSA-N	1	0	363.483	1.604	20	30		FDEDRO
C[NH+](C)CC(=O)N1CCN(Cc2ncc(-c3ccc(C#N)cc3)o2)CC1	ZINC000130229020	173164552	/nfs/dbraw/zinc/16/45/52/173164552.db2.gz	YVZCKBGJNXQRDE-UHFFFAOYSA-N	1	0	353.426	1.419	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c(F)c1	ZINC000136448674	173361508	/nfs/dbraw/zinc/36/15/08/173361508.db2.gz	RXGATZTVWDPCQU-HNNXBMFYSA-N	1	0	358.417	1.970	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)CCCC(=O)Nc2ccccc2C#N)CC1	ZINC000151307243	173396837	/nfs/dbraw/zinc/39/68/37/173396837.db2.gz	IWLULPFUGKJBSV-UHFFFAOYSA-N	1	0	372.469	1.894	20	30		FDEDRO
CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000161388354	173740041	/nfs/dbraw/zinc/74/00/41/173740041.db2.gz	KDYFIAQQBSUMRC-UONOGXRCSA-N	1	0	366.487	1.072	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1	ZINC000175961143	174039868	/nfs/dbraw/zinc/03/98/68/174039868.db2.gz	LJUCYCRYJUSQKB-UHFFFAOYSA-N	1	0	374.416	1.207	20	30		FDEDRO
CC[C@@H]([NH2+]CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@@H]1CCCO1	ZINC000182385588	177517343	/nfs/dbraw/zinc/51/73/43/177517343.db2.gz	NRQIKUYLARZJHS-ZBFHGGJFSA-N	1	0	361.446	1.051	20	30		FDEDRO
C[C@@H]1CN(C(C)(C)C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C[C@@H](C)O1	ZINC000553295354	543605490	/nfs/dbraw/zinc/60/54/90/543605490.db2.gz	WLXMITOUMQETLG-JFIYKMOQSA-N	1	0	361.486	1.775	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](c3ccnn3C)C2)CC1	ZINC000553396813	543626769	/nfs/dbraw/zinc/62/67/69/543626769.db2.gz	GSVKEARKZMWETA-INIZCTEOSA-N	1	0	373.501	1.283	20	30		FDEDRO
COc1cccc(N2C[C@@H]([NH2+]C[C@H]3CNc4c(C#N)cnn4C3)CC2=O)c1	ZINC000553425551	543633969	/nfs/dbraw/zinc/63/39/69/543633969.db2.gz	SGAGLLQZHUHOJA-ZFWWWQNUSA-N	1	0	366.425	1.200	20	30		FDEDRO
C[C@H]1CC[N@H+](CCNS(=O)(=O)c2cccc(Br)c2C#N)C1	ZINC000553824401	543701546	/nfs/dbraw/zinc/70/15/46/543701546.db2.gz	BPVUEPDVLAPQAN-NSHDSACASA-N	1	0	372.288	1.941	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)CC(C)C)CC1	ZINC000555024023	543903097	/nfs/dbraw/zinc/90/30/97/543903097.db2.gz	PLAUESONSCJKHU-QGZVFWFLSA-N	1	0	361.490	1.250	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(c3cnccc3C#N)CC2)C1	ZINC000555542386	543969374	/nfs/dbraw/zinc/96/93/74/543969374.db2.gz	KFSVGHGXTNOFNM-INIZCTEOSA-N	1	0	356.474	1.517	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]C[C@H](c3ccccc3)N3CCOCC3)cnc12	ZINC000555553166	543972230	/nfs/dbraw/zinc/97/22/30/543972230.db2.gz	CQXDMZXKPFSDFO-LJQANCHMSA-N	1	0	362.437	1.764	20	30		FDEDRO
C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N	ZINC000556026191	544077310	/nfs/dbraw/zinc/07/73/10/544077310.db2.gz	SGRBLMGLMKQYSB-QGZVFWFLSA-N	1	0	366.487	1.285	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@H](C)OC[C@H]1CC)C(C)C	ZINC000556209898	544118378	/nfs/dbraw/zinc/11/83/78/544118378.db2.gz	ZOFJVFPPCMYNTQ-RCCFBDPRSA-N	1	0	365.518	1.827	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1	ZINC000556489794	544148879	/nfs/dbraw/zinc/14/88/79/544148879.db2.gz	KKVBEMJAIMKLLY-HBUWYVDXSA-N	1	0	354.454	1.994	20	30		FDEDRO
CC[N@H+](CCNC(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1)C1CC1	ZINC000557381719	544285651	/nfs/dbraw/zinc/28/56/51/544285651.db2.gz	FEOQUVQYYKZEJJ-UHFFFAOYSA-N	1	0	369.469	1.066	20	30		FDEDRO
CN(C)C(=O)C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccccc1	ZINC000557480042	544296425	/nfs/dbraw/zinc/29/64/25/544296425.db2.gz	UZGVNJUOYIVXBB-QGZVFWFLSA-N	1	0	355.442	1.452	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2[C@H](C)[C@@H](OC)C2(CC)CC)CC1	ZINC000557731609	544338015	/nfs/dbraw/zinc/33/80/15/544338015.db2.gz	PIHLLSNUVXCHIM-USXIJHARSA-N	1	0	365.518	1.709	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](COC)Cc2ccccc2)CC1	ZINC000557732819	544338076	/nfs/dbraw/zinc/33/80/76/544338076.db2.gz	DHRMGMUOPBBVRK-GOSISDBHSA-N	1	0	359.470	1.127	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2[C@H](C)[C@H](OC)C2(CC)CC)CC1	ZINC000557731606	544338102	/nfs/dbraw/zinc/33/81/02/544338102.db2.gz	PIHLLSNUVXCHIM-UAGQMJEPSA-N	1	0	365.518	1.709	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2C[C@@H](C)O)CC1	ZINC000557756965	544342801	/nfs/dbraw/zinc/34/28/01/544342801.db2.gz	WMRGYXRSMNNTIB-WBVHZDCISA-N	1	0	351.491	1.295	20	30		FDEDRO
C=CCCCCNC(=O)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1	ZINC000557890619	544359869	/nfs/dbraw/zinc/35/98/69/544359869.db2.gz	INCHARPLLSOUOG-UHFFFAOYSA-N	1	0	365.518	1.999	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)Cc2ccc(C#N)cc2)CC1	ZINC000558091561	544383158	/nfs/dbraw/zinc/38/31/58/544383158.db2.gz	HRWBKDLWQIHIMX-HNNXBMFYSA-N	1	0	350.488	1.004	20	30		FDEDRO
C[NH+](C)CCOc1cnccc1CNS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000558091062	544383173	/nfs/dbraw/zinc/38/31/73/544383173.db2.gz	BLOBZCKDUUITKV-UHFFFAOYSA-N	1	0	374.466	1.513	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]CCOc2ccc3c(c2)OCO3)cc1	ZINC000558752528	544525773	/nfs/dbraw/zinc/52/57/73/544525773.db2.gz	IJMBIWBGPRZSNY-OAHLLOKOSA-N	1	0	356.378	1.695	20	30		FDEDRO
C[NH+](C)Cc1cccc(NC(=O)C(=O)NCC#Cc2cccc(F)c2)c1	ZINC000559030997	544575339	/nfs/dbraw/zinc/57/53/39/544575339.db2.gz	NOUMHCIKPWOBKF-UHFFFAOYSA-N	1	0	353.397	1.994	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C(C)C)C2(CO)CCC2)CC1	ZINC000559439649	544685565	/nfs/dbraw/zinc/68/55/65/544685565.db2.gz	ZNOHTOLCPGYLKH-PKOBYXMFSA-N	1	0	364.534	1.456	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)NCc1cccc(C#N)c1)Cc1ccccc1	ZINC000559412741	544677128	/nfs/dbraw/zinc/67/71/28/544677128.db2.gz	ULXJFDXOPHMFLG-IBGZPJMESA-N	1	0	364.449	1.464	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1CCC1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1	ZINC000301637565	259031009	/nfs/dbraw/zinc/03/10/09/259031009.db2.gz	AJWDYUIDATVTED-HNNXBMFYSA-N	1	0	373.501	1.437	20	30		FDEDRO
CC(C)[C@@H](CNS(=O)(=O)c1ccc(C#N)s1)N1CC[NH+](C)CC1	ZINC000331232715	259182099	/nfs/dbraw/zinc/18/20/99/259182099.db2.gz	JBENHLQBXGGDES-CQSZACIVSA-N	1	0	356.517	1.170	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H](O)C[NH+]1CCC(C)CC1	ZINC000331281393	259185119	/nfs/dbraw/zinc/18/51/19/259185119.db2.gz	QUHGKWMFSYVBGP-INIZCTEOSA-N	1	0	351.472	1.238	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cc1Br	ZINC000331831214	259222968	/nfs/dbraw/zinc/22/29/68/259222968.db2.gz	QQHMSYZHUKMANN-SMDDNHRTSA-N	1	0	370.272	1.693	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C	ZINC000332628955	259284126	/nfs/dbraw/zinc/28/41/26/259284126.db2.gz	VZJHUXSVLRQRRT-OLZOCXBDSA-N	1	0	354.458	1.701	20	30		FDEDRO
C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000333510359	259355686	/nfs/dbraw/zinc/35/56/86/259355686.db2.gz	FIYXRAZUSNHUMB-XKQJLSEDSA-N	1	0	355.442	1.493	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1F	ZINC000333647061	259366335	/nfs/dbraw/zinc/36/63/35/259366335.db2.gz	JEQALGLJVZPJRK-DLBZAZTESA-N	1	0	367.446	1.604	20	30		FDEDRO
C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000333665513	259368091	/nfs/dbraw/zinc/36/80/91/259368091.db2.gz	XNTZLMPVVKBTIU-VBQJREDUSA-N	1	0	355.442	1.051	20	30		FDEDRO
N#Cc1ccccc1N1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1	ZINC000333892349	259390704	/nfs/dbraw/zinc/39/07/04/259390704.db2.gz	HEXVPYLVKPZITK-OKZBNKHCSA-N	1	0	353.470	1.778	20	30		FDEDRO
CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1CCOc1ccc(C#N)cc1OC	ZINC000364344396	259741105	/nfs/dbraw/zinc/74/11/05/259741105.db2.gz	YIIFYKXNXGYIMA-HOTGVXAUSA-N	1	0	362.426	1.988	20	30		FDEDRO
Cn1cc(C(=O)NC2CC[NH+](CCOc3ccccc3C#N)CC2)cn1	ZINC000364909738	259794597	/nfs/dbraw/zinc/79/45/97/259794597.db2.gz	TXOQSDBQGQVGOV-UHFFFAOYSA-N	1	0	353.426	1.565	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CCN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc1	ZINC000367318163	260025320	/nfs/dbraw/zinc/02/53/20/260025320.db2.gz	PNJJAGBHMOEXHL-AEFFLSMTSA-N	1	0	374.510	1.676	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1	ZINC000367444932	260042479	/nfs/dbraw/zinc/04/24/79/260042479.db2.gz	MCJMCWLJDWUCON-OAHLLOKOSA-N	1	0	369.469	1.124	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CN(C(=O)NCCn3cnc(C#N)n3)C[C@@H]2[C@H]1c1ccccc1	ZINC000367855141	260101386	/nfs/dbraw/zinc/10/13/86/260101386.db2.gz	FPDAIGAOYBXBMT-SOLBZPMBSA-N	1	0	365.441	1.094	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCc2nncn2C1	ZINC000368067639	260130899	/nfs/dbraw/zinc/13/08/99/260130899.db2.gz	ZMLRYXOWVHQQDI-KRWDZBQOSA-N	1	0	352.442	1.303	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)s2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000368541207	260198915	/nfs/dbraw/zinc/19/89/15/260198915.db2.gz	XLIKQTYCUSZFMM-UKRRQHHQSA-N	1	0	368.528	1.266	20	30		FDEDRO
N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000369348887	260345363	/nfs/dbraw/zinc/34/53/63/260345363.db2.gz	VSTNDSYOJQIBEA-AWEZNQCLSA-N	1	0	369.391	1.790	20	30		FDEDRO
CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000370477131	260554450	/nfs/dbraw/zinc/55/44/50/260554450.db2.gz	MKJSCIMAHIQZKC-SFHVURJKSA-N	1	0	354.454	1.602	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC(n3cnc(C#N)n3)CC2)C1	ZINC000373432711	261010454	/nfs/dbraw/zinc/01/04/54/261010454.db2.gz	RIYPVUSZMZEBEI-MRXNPFEDSA-N	1	0	373.505	1.864	20	30		FDEDRO
C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1	ZINC000373702082	261032320	/nfs/dbraw/zinc/03/23/20/261032320.db2.gz	WFDCTISQKZEOKB-ZWKOTPCHSA-N	1	0	354.454	1.459	20	30		FDEDRO
C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1	ZINC000373702079	261032568	/nfs/dbraw/zinc/03/25/68/261032568.db2.gz	WFDCTISQKZEOKB-ROUUACIJSA-N	1	0	354.454	1.459	20	30		FDEDRO
N#Cc1cc(Cl)ccc1N1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1	ZINC000373794915	261041477	/nfs/dbraw/zinc/04/14/77/261041477.db2.gz	KFMURSCBBARPLY-OAHLLOKOSA-N	1	0	353.875	1.957	20	30		FDEDRO
CN(C(=O)NCCc1cccc(C#N)c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000374195724	261092068	/nfs/dbraw/zinc/09/20/68/261092068.db2.gz	XPGCFKFXTCQYJW-HXUWFJFHSA-N	1	0	369.513	1.911	20	30		FDEDRO
CNC(=O)CN1CCC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC000374892862	261220378	/nfs/dbraw/zinc/22/03/78/261220378.db2.gz	INZJLBKUCNWZQL-UHFFFAOYSA-N	1	0	366.469	1.212	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[NH+]2CCC(O)(CN3CCOCC3)CC2)cc1	ZINC000374999553	261243471	/nfs/dbraw/zinc/24/34/71/261243471.db2.gz	QVQNZAYDCZZMGM-UHFFFAOYSA-N	1	0	372.469	1.046	20	30		FDEDRO
C[C@H](CCNC(=O)N1CCC(n2cnc(C#N)n2)CC1)[NH+]1CCCCC1	ZINC000376308281	261537857	/nfs/dbraw/zinc/53/78/57/261537857.db2.gz	RWLOQFGQYWQJFM-OAHLLOKOSA-N	1	0	359.478	1.761	20	30		FDEDRO
CN1CCO[C@H]2CCN(C(=O)c3cccc(C#N)c3Br)C[C@H]21	ZINC000408457595	262110759	/nfs/dbraw/zinc/11/07/59/262110759.db2.gz	BQHWMQPVCYMSKF-KGLIPLIRSA-N	1	0	364.243	1.866	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccnc(-n3cccn3)c2)c1C#N	ZINC000534792329	490410587	/nfs/dbraw/zinc/41/05/87/490410587.db2.gz	QMDYZMFPZPCXRQ-UHFFFAOYSA-N	1	0	350.386	1.266	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cnc3c(c2)c(C)nn3C)c1C#N	ZINC000536299862	490566997	/nfs/dbraw/zinc/56/69/97/490566997.db2.gz	OLWGGFRJJVYVRC-UHFFFAOYSA-N	1	0	352.402	1.276	20	30		FDEDRO
CC[NH+](CC)CCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000513198934	490714097	/nfs/dbraw/zinc/71/40/97/490714097.db2.gz	JXLRWCNUKBSOIY-UHFFFAOYSA-N	1	0	372.404	1.280	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)C(C)(C)C[NH+](C)C	ZINC000540304748	490815346	/nfs/dbraw/zinc/81/53/46/490815346.db2.gz	ZFXZQJSALVXRNY-GFCCVEGCSA-N	1	0	362.478	1.541	20	30		FDEDRO
CCC1([NH+]2CCOCC2)CCN(C(=O)CNc2ccc(C#N)cn2)CC1	ZINC000600681819	491875589	/nfs/dbraw/zinc/87/55/89/491875589.db2.gz	GNIPIMZOXNCLDA-UHFFFAOYSA-N	1	0	357.458	1.469	20	30		FDEDRO
CN(C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@@H]1CCC[C@@H]1C#N	ZINC000602065987	491959312	/nfs/dbraw/zinc/95/93/12/491959312.db2.gz	FQOFEUMSVGQOLM-UKRRQHHQSA-N	1	0	358.446	1.239	20	30		FDEDRO
Cc1ncc(CO)c(/C=N/CCN2CC[NH+](Cc3ccccc3)CC2)c1O	ZINC000027063402	519155601	/nfs/dbraw/zinc/15/56/01/519155601.db2.gz	BXCJEWYJBJENLJ-HYARGMPZSA-N	1	0	368.481	1.825	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCCNC(=O)C3CC3)CC2)cc1	ZINC000032833416	519544403	/nfs/dbraw/zinc/54/44/03/519544403.db2.gz	AHPKUUGGKZJAEM-UHFFFAOYSA-N	1	0	368.481	1.899	20	30		FDEDRO
CC[NH+](CC)[C@H](C)CNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C	ZINC000041926149	519672553	/nfs/dbraw/zinc/67/25/53/519672553.db2.gz	VFEJGTWZBUYIRV-CYBMUJFWSA-N	1	0	356.474	1.997	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](C)[NH+](CC)CC)c1	ZINC000042483059	519692021	/nfs/dbraw/zinc/69/20/21/519692021.db2.gz	UBCQEWFLJANIME-CQSZACIVSA-N	1	0	351.472	1.058	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+](CCC)CC(=O)N(C)C)c(OC)c1	ZINC000056510565	521872727	/nfs/dbraw/zinc/87/27/27/521872727.db2.gz	SBCODRVUPSIFJQ-QGZVFWFLSA-N	1	0	364.486	1.964	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](CCSC)c2nnc3ccccn32)CC1	ZINC000057153630	522015218	/nfs/dbraw/zinc/01/52/18/522015218.db2.gz	ZYPJSNMNFXTSLL-MRXNPFEDSA-N	1	0	371.510	1.985	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)NCC[N@H+]2CCC[C@H](C)C2)c1	ZINC000046861388	522372973	/nfs/dbraw/zinc/37/29/73/522372973.db2.gz	GNPHAQUZCPXWHI-HNNXBMFYSA-N	1	0	363.483	1.060	20	30		FDEDRO
C[C@@H](Cn1ccnc1)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000047028132	522426550	/nfs/dbraw/zinc/42/65/50/522426550.db2.gz	VONRKVSFLOJENK-INIZCTEOSA-N	1	0	354.458	1.917	20	30		FDEDRO
CC[NH+]=C(NCC1(O)CCCCC1)N1CCN(C(=O)c2ccco2)CC1	ZINC000073176404	522485910	/nfs/dbraw/zinc/48/59/10/522485910.db2.gz	DUUKELUTIUKIND-UHFFFAOYSA-N	1	0	362.474	1.698	20	30		FDEDRO
C[NH+]=C(NCc1ccccc1Cl)NCC1CCN(S(C)(=O)=O)CC1	ZINC000073240367	522491828	/nfs/dbraw/zinc/49/18/28/522491828.db2.gz	OPPLLFPFIYTCBF-UHFFFAOYSA-N	1	0	372.922	1.677	20	30		FDEDRO
C[NH+](C)CCCNC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N	ZINC000048616312	522757699	/nfs/dbraw/zinc/75/76/99/522757699.db2.gz	PMSBMTCVEUUGFB-UHFFFAOYSA-N	1	0	367.409	1.752	20	30		FDEDRO
CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000066126508	522962840	/nfs/dbraw/zinc/96/28/40/522962840.db2.gz	KJICZWIDOUUIOM-AWEZNQCLSA-N	1	0	366.487	1.339	20	30		FDEDRO
C[NH+]1CCN(CCCCNS(=O)(=O)Cc2cccc(C#N)c2)CC1	ZINC000075731099	522964238	/nfs/dbraw/zinc/96/42/38/522964238.db2.gz	JDMLEZJESRKABZ-UHFFFAOYSA-N	1	0	350.488	1.005	20	30		FDEDRO
C[NH+]1CCC(CCNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1	ZINC000066241458	522997740	/nfs/dbraw/zinc/99/77/40/522997740.db2.gz	QGBKSCHZMLMFQM-UHFFFAOYSA-N	1	0	352.442	1.788	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1	ZINC000076227553	523050220	/nfs/dbraw/zinc/05/02/20/523050220.db2.gz	WKYPUWPEAUEJAA-UHFFFAOYSA-N	1	0	359.401	1.519	20	30		FDEDRO
C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000076270590	523061321	/nfs/dbraw/zinc/06/13/21/523061321.db2.gz	KGSNBPVOOQXPIM-JTQLQIEISA-N	1	0	356.348	1.972	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1	ZINC000076283276	523065774	/nfs/dbraw/zinc/06/57/74/523065774.db2.gz	KTRZFFYPFVHJIY-MRXNPFEDSA-N	1	0	373.428	1.863	20	30		FDEDRO
C[N@H+](CCNC(=O)C(=O)Nc1cccc(OCC#N)c1)Cc1ccccc1	ZINC000067379945	523417354	/nfs/dbraw/zinc/41/73/54/523417354.db2.gz	RSKANBNYUUEZLP-UHFFFAOYSA-N	1	0	366.421	1.776	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1	ZINC000078885480	523666503	/nfs/dbraw/zinc/66/65/03/523666503.db2.gz	TYSZHTFCNDTWPZ-UHFFFAOYSA-N	1	0	363.483	1.464	20	30		FDEDRO
Cc1cc(NC(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n(C)n1	ZINC000055173015	523760566	/nfs/dbraw/zinc/76/05/66/523760566.db2.gz	QOHPCXNFRFPELG-UHFFFAOYSA-N	1	0	366.469	1.747	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCC[N@H+]2CC)c1	ZINC000055209050	523766610	/nfs/dbraw/zinc/76/66/10/523766610.db2.gz	PWLPXFQJUIQJBF-HNNXBMFYSA-N	1	0	351.472	1.365	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1	ZINC000120922687	524097140	/nfs/dbraw/zinc/09/71/40/524097140.db2.gz	BWCMZMRQMATHDF-OAHLLOKOSA-N	1	0	362.455	1.043	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1cccc(CN2CCOCC2)c1	ZINC000110663371	524118009	/nfs/dbraw/zinc/11/80/09/524118009.db2.gz	LEXXQGUVJQFTJN-UHFFFAOYSA-N	1	0	358.486	1.826	20	30		FDEDRO
CC[N@@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C[C@H]1CCCO1	ZINC000172172384	524145878	/nfs/dbraw/zinc/14/58/78/524145878.db2.gz	VPACFBBTCWSQCE-OAHLLOKOSA-N	1	0	361.446	1.004	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](CN(CC)CC(F)(F)F)C1	ZINC000081558655	524149907	/nfs/dbraw/zinc/14/99/07/524149907.db2.gz	WNVHTNZNPHVFPP-LBPRGKRZSA-N	1	0	350.385	1.204	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccc(CC#N)cc2)CC1	ZINC000157102012	524211427	/nfs/dbraw/zinc/21/14/27/524211427.db2.gz	IBDOFAGLBWMFDG-KRWDZBQOSA-N	1	0	355.442	1.523	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CNC(=O)c1ccc2c(c1)CCC2	ZINC000137044205	524226785	/nfs/dbraw/zinc/22/67/85/524226785.db2.gz	AFQYZXGWIIJPMC-UHFFFAOYSA-N	1	0	356.470	1.599	20	30		FDEDRO
CNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1	ZINC000111264103	524237534	/nfs/dbraw/zinc/23/75/34/524237534.db2.gz	WOFLYKJTAWJOMC-GJZGRUSLSA-N	1	0	360.433	1.919	20	30		FDEDRO
C=CC1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1	ZINC000111259014	524238545	/nfs/dbraw/zinc/23/85/45/524238545.db2.gz	IOSSLGJDBQKMNF-KBPBESRZSA-N	1	0	365.499	1.798	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)[C@H]1CCN(c2c(F)cccc2F)C1=O	ZINC000121389031	524242735	/nfs/dbraw/zinc/24/27/35/524242735.db2.gz	OXNIDYKNDCKJPR-HNNXBMFYSA-N	1	0	374.395	1.812	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H](N2CCC(C[NH+]3CCOCC3)CC2)C1=O	ZINC000083170533	524243111	/nfs/dbraw/zinc/24/31/11/524243111.db2.gz	WXJLBDUCTANCDM-KRWDZBQOSA-N	1	0	374.510	1.769	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1	ZINC000173049965	524313067	/nfs/dbraw/zinc/31/30/67/524313067.db2.gz	ZUBDUVUWGQXWOD-CQSZACIVSA-N	1	0	367.515	1.857	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)cc1	ZINC000111696215	524326673	/nfs/dbraw/zinc/32/66/73/524326673.db2.gz	MPTQFHLSGHECBZ-ZWKOTPCHSA-N	1	0	357.454	1.579	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)N(C)C)c(C)o2)CC1	ZINC000084760323	524330404	/nfs/dbraw/zinc/33/04/04/524330404.db2.gz	CYXIFTSEFIJHQG-UHFFFAOYSA-N	1	0	369.487	1.609	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(C[NH+](C)C)CC1	ZINC000144657366	524390405	/nfs/dbraw/zinc/39/04/05/524390405.db2.gz	ASXJXPYVMOCMFD-UHFFFAOYSA-N	1	0	358.442	1.696	20	30		FDEDRO
C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccn(CCC#N)n2)C1	ZINC000086449857	524392499	/nfs/dbraw/zinc/39/24/99/524392499.db2.gz	NPMOKJZBLKULLG-GASCZTMLSA-N	1	0	374.489	1.608	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)CC1	ZINC000121918100	524408077	/nfs/dbraw/zinc/40/80/77/524408077.db2.gz	XCMDFSQUQHEFAK-WMZOPIPTSA-N	1	0	358.490	1.281	20	30		FDEDRO
C=CC[N@@H+](CC(=O)N1CCN(CC(=O)N(C)C)CC1)CC1CCCCC1	ZINC000112202260	524423834	/nfs/dbraw/zinc/42/38/34/524423834.db2.gz	MCBMACGNSFPQAI-UHFFFAOYSA-N	1	0	364.534	1.287	20	30		FDEDRO
Cc1cc(Cl)ncc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000122099231	524450951	/nfs/dbraw/zinc/45/09/51/524450951.db2.gz	WVOKNSOKWGSZIM-UHFFFAOYSA-N	1	0	351.838	1.676	20	30		FDEDRO
CCN1CCc2ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc21	ZINC000122150712	524464728	/nfs/dbraw/zinc/46/47/28/524464728.db2.gz	ABXYARIAHHTBRY-UHFFFAOYSA-N	1	0	371.485	1.701	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc(N2CCCC2)c1	ZINC000122162349	524466448	/nfs/dbraw/zinc/46/64/48/524466448.db2.gz	ZKEVMLRVJXLSJJ-UHFFFAOYSA-N	1	0	371.485	1.919	20	30		FDEDRO
C[NH+]1CCN(CCOc2ccc(NC(=O)C3(C#N)CCOCC3)cc2)CC1	ZINC000174039012	524508503	/nfs/dbraw/zinc/50/85/03/524508503.db2.gz	DGXZVRXQHIJXND-UHFFFAOYSA-N	1	0	372.469	1.572	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c1C#N	ZINC000089663770	524517671	/nfs/dbraw/zinc/51/76/71/524517671.db2.gz	QERQGADHGCWUQW-LBPRGKRZSA-N	1	0	370.413	1.014	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CSCc2cscn2)c1C#N	ZINC000089663717	524518155	/nfs/dbraw/zinc/51/81/55/524518155.db2.gz	CIFPXHRPRZCLLF-UHFFFAOYSA-N	1	0	350.473	1.762	20	30		FDEDRO
COc1ccc([C@H](CO)[N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)cc1	ZINC000112623169	524518772	/nfs/dbraw/zinc/51/87/72/524518772.db2.gz	AMLJEHZFXWLKMD-PXNSSMCTSA-N	1	0	356.422	1.972	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)OCc2cccc(OC)c2)c1C#N	ZINC000089676674	524519773	/nfs/dbraw/zinc/51/97/73/524519773.db2.gz	QGARDOMKQRQHML-ZDUSSCGKSA-N	1	0	371.441	1.986	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(-n3cccn3)n2)c1C#N	ZINC000089677791	524520002	/nfs/dbraw/zinc/52/00/02/524520002.db2.gz	YSZBSYZACJYCMM-UHFFFAOYSA-N	1	0	350.386	1.266	20	30		FDEDRO
C=CCCOCCNC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000122417053	524531443	/nfs/dbraw/zinc/53/14/43/524531443.db2.gz	BYBQEZBOKPPYRT-HDICACEKSA-N	1	0	352.523	1.779	20	30		FDEDRO
C[NH+]=C(NCC(=O)NCC(F)(F)F)N1CCN(c2cccs2)CC1	ZINC000158897332	524548378	/nfs/dbraw/zinc/54/83/78/524548378.db2.gz	MRSTUGCZHWJJPG-UHFFFAOYSA-N	1	0	363.409	1.124	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000089943436	524556099	/nfs/dbraw/zinc/55/60/99/524556099.db2.gz	OUIPAIIDKBGOBR-UHFFFAOYSA-N	1	0	362.397	1.850	20	30		FDEDRO
C=C(C)COCCNC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000151478725	524587110	/nfs/dbraw/zinc/58/71/10/524587110.db2.gz	RXBREFYTORPXIK-HDICACEKSA-N	1	0	352.523	1.779	20	30		FDEDRO
CC[N@H+](C)C[C@H]1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1	ZINC000174468678	524589390	/nfs/dbraw/zinc/58/93/90/524589390.db2.gz	ALZYBJSJTXQPKO-QGZVFWFLSA-N	1	0	363.483	1.273	20	30		FDEDRO
CC[N@H+](C)C[C@@H]1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1	ZINC000174468664	524589704	/nfs/dbraw/zinc/58/97/04/524589704.db2.gz	ALZYBJSJTXQPKO-KRWDZBQOSA-N	1	0	363.483	1.273	20	30		FDEDRO
C=C(C)COCC[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000090451299	524594911	/nfs/dbraw/zinc/59/49/11/524594911.db2.gz	VQXJEGQFKJPYQU-MRXNPFEDSA-N	1	0	368.499	1.951	20	30		FDEDRO
C[NH+]1CCC(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1	ZINC000174558370	524628754	/nfs/dbraw/zinc/62/87/54/524628754.db2.gz	DQCYGDPOFVFCPY-UHFFFAOYSA-N	1	0	369.425	1.797	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000151651631	524643265	/nfs/dbraw/zinc/64/32/65/524643265.db2.gz	TUZNRCHIFSVSPD-CQSZACIVSA-N	1	0	366.487	1.073	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H](C)CC#N)c(C)c2)CC1	ZINC000123002290	524660603	/nfs/dbraw/zinc/66/06/03/524660603.db2.gz	MHPSQUGWNNLTHT-HNNXBMFYSA-N	1	0	357.458	1.494	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(c2ncccc2C#N)CC1)C[NH+]1CCCC1	ZINC000123043767	524667665	/nfs/dbraw/zinc/66/76/65/524667665.db2.gz	PLLKPLNNCLWBSH-INIZCTEOSA-N	1	0	356.474	1.517	20	30		FDEDRO
C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1	ZINC000091280849	524687136	/nfs/dbraw/zinc/68/71/36/524687136.db2.gz	PLOHPXNBOFIVIE-LLVKDONJSA-N	1	0	352.822	1.495	20	30		FDEDRO
C#CCOc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)cc1	ZINC000159531604	524690946	/nfs/dbraw/zinc/69/09/46/524690946.db2.gz	JZQVVWGNTOIWHC-UHFFFAOYSA-N	1	0	364.449	1.775	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1	ZINC000174744040	524720247	/nfs/dbraw/zinc/72/02/47/524720247.db2.gz	XBKFCESGHOOTJB-HNNXBMFYSA-N	1	0	358.442	1.694	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1C#N	ZINC000174766724	524728454	/nfs/dbraw/zinc/72/84/54/524728454.db2.gz	DYMYAFDBRXBXER-OAHLLOKOSA-N	1	0	370.453	1.517	20	30		FDEDRO
CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)cc1	ZINC000123327942	524729647	/nfs/dbraw/zinc/72/96/47/524729647.db2.gz	APEWTCVCSLFUOV-UHFFFAOYSA-N	1	0	369.450	1.746	20	30		FDEDRO
CC[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000091580127	524731778	/nfs/dbraw/zinc/73/17/78/524731778.db2.gz	BWSLZQIUKQQKLK-SQNIBIBYSA-N	1	0	350.507	1.304	20	30		FDEDRO
CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1	ZINC000123359894	524738063	/nfs/dbraw/zinc/73/80/63/524738063.db2.gz	COSOHDUTXSYMPK-ZDUSSCGKSA-N	1	0	366.443	1.819	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)NC[C@@H]2CCC[NH2+]C2)c1	ZINC000123369445	524738958	/nfs/dbraw/zinc/73/89/58/524738958.db2.gz	REONZIIORSNABU-SNVBAGLBSA-N	1	0	358.261	1.599	20	30		FDEDRO
C[NH+]=C(NCc1nncn1C)N1CCN(c2cc(Cl)ccc2C)CC1	ZINC000114080860	524741485	/nfs/dbraw/zinc/74/14/85/524741485.db2.gz	MQZJJWLWHKBTAO-UHFFFAOYSA-N	1	0	361.881	1.675	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H](c3nnc4ccccn43)C2)CC1	ZINC000123385401	524742362	/nfs/dbraw/zinc/74/23/62/524742362.db2.gz	JIALXAYRYRSACB-KRWDZBQOSA-N	1	0	351.454	1.781	20	30		FDEDRO
CC[NH+](CC)[C@H](CNC(=O)CCNC(=O)C1N=CC=CC1=O)CC(C)C	ZINC000174825931	524752261	/nfs/dbraw/zinc/75/22/61/524752261.db2.gz	LSBIAHNCWLPINA-IJYGLTAASA-N	1	0	364.490	1.776	20	30		FDEDRO
CC(C)C[C@H](CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[NH+](C)C	ZINC000114377866	524779955	/nfs/dbraw/zinc/77/99/55/524779955.db2.gz	OWOMYQJAFORXCQ-QGZVFWFLSA-N	1	0	365.499	1.566	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000174969914	524817643	/nfs/dbraw/zinc/81/76/43/524817643.db2.gz	NCFRPFMFRNXRBG-HNNXBMFYSA-N	1	0	373.428	1.721	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@]2(C)CC[NH2+]C2)cc1	ZINC000152220549	524817752	/nfs/dbraw/zinc/81/77/52/524817752.db2.gz	OSRKLOZMLVGSHH-FABDANFUSA-N	1	0	364.471	1.438	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCN(C(C)C)C1=O)C(C)C	ZINC000114823262	524881604	/nfs/dbraw/zinc/88/16/04/524881604.db2.gz	NZVLBFJSUKLMBY-IAGOWNOFSA-N	1	0	350.507	1.994	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)CCc2ccc(F)cc2)CC1	ZINC000092617941	524900446	/nfs/dbraw/zinc/90/04/46/524900446.db2.gz	XVJHCVIYBYUUBJ-LJQANCHMSA-N	1	0	360.477	1.992	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1	ZINC000092799432	524917695	/nfs/dbraw/zinc/91/76/95/524917695.db2.gz	KCWLMMDHOVMAGN-QGZVFWFLSA-N	1	0	356.470	1.891	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2ccc(C#N)nc2)c1	ZINC000115057605	524938528	/nfs/dbraw/zinc/93/85/28/524938528.db2.gz	CGOWSOMQTYXWQH-UHFFFAOYSA-N	1	0	351.410	1.175	20	30		FDEDRO
N#Cc1ccccc1OCC[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1	ZINC000093259845	524972594	/nfs/dbraw/zinc/97/25/94/524972594.db2.gz	SULNPTDBBSXRNR-UHFFFAOYSA-N	1	0	366.421	1.974	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(C(=O)c2ccc(C(C)(C)C)s2)CC1	ZINC000152701250	524974721	/nfs/dbraw/zinc/97/47/21/524974721.db2.gz	OWNNKGYMPQBCNR-UHFFFAOYSA-N	1	0	361.511	1.943	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1	ZINC000175615706	524982441	/nfs/dbraw/zinc/98/24/41/524982441.db2.gz	PFHSSZJLZYIKMJ-UHFFFAOYSA-N	1	0	365.437	1.642	20	30		FDEDRO
N#Cc1ccc2ncc(C[N@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)n2c1	ZINC000124452370	524991347	/nfs/dbraw/zinc/99/13/47/524991347.db2.gz	NPGHRIBSTFOHNN-INIZCTEOSA-N	1	0	353.426	1.277	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1C#N	ZINC000161122841	525038167	/nfs/dbraw/zinc/03/81/67/525038167.db2.gz	PLBZXIJXVNOPCN-QGZVFWFLSA-N	1	0	370.453	1.884	20	30		FDEDRO
COCC[N@H+](C)CCNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1	ZINC000176039969	525045489	/nfs/dbraw/zinc/04/54/89/525045489.db2.gz	IOQCBZOJZDWTLI-UHFFFAOYSA-N	1	0	357.376	1.934	20	30		FDEDRO
COCc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCN(c3ccc(C#N)cc3)C1=O)CC2	ZINC000124699244	525056545	/nfs/dbraw/zinc/05/65/45/525056545.db2.gz	QIDLBRGPXHUAGY-GOEBONIOSA-N	1	0	366.425	1.006	20	30		FDEDRO
C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)Cc2cccc(C#N)c2)CC1	ZINC000161468819	525113672	/nfs/dbraw/zinc/11/36/72/525113672.db2.gz	DDGRZUXLANOOJA-HNNXBMFYSA-N	1	0	365.499	1.413	20	30		FDEDRO
Cc1cccc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c1C#N	ZINC000161656587	525144666	/nfs/dbraw/zinc/14/46/66/525144666.db2.gz	LOMDGDJQSVNOEB-OAHLLOKOSA-N	1	0	351.472	1.238	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC1	ZINC000176586706	525147100	/nfs/dbraw/zinc/14/71/00/525147100.db2.gz	CEQBTTPJWHIVPM-OAHLLOKOSA-N	1	0	369.473	1.219	20	30		FDEDRO
C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153267312	525161174	/nfs/dbraw/zinc/16/11/74/525161174.db2.gz	QFLZUFTWSZMMBY-CQSZACIVSA-N	1	0	366.469	1.701	20	30		FDEDRO
CC(C)n1nccc1NC(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153292230	525169063	/nfs/dbraw/zinc/16/90/63/525169063.db2.gz	LOMMCCAACXDAGR-LBPRGKRZSA-N	1	0	358.450	1.533	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)[C@H](C(=O)NC1CC1)c1ccccc1	ZINC000153300458	525172374	/nfs/dbraw/zinc/17/23/74/525172374.db2.gz	JMSBQVAWUXQPQJ-KRWDZBQOSA-N	1	0	352.442	1.748	20	30		FDEDRO
CN1CC[NH+]([C@@H]2CCCCN(CC(=O)Nc3sccc3C#N)C2)CC1	ZINC000161866061	525180863	/nfs/dbraw/zinc/18/08/63/525180863.db2.gz	GTXUEOVVHRUOLO-MRXNPFEDSA-N	1	0	361.515	1.660	20	30		FDEDRO
Cc1ccc(NC(=O)C(=O)N2CCC(C#N)CC2)c(OCC[NH+](C)C)c1	ZINC000177449362	525293795	/nfs/dbraw/zinc/29/37/95/525293795.db2.gz	RQQFXRSJQGPCSM-UHFFFAOYSA-N	1	0	358.442	1.636	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3cccc(O)c3)CC2)cc1	ZINC000153773140	525317639	/nfs/dbraw/zinc/31/76/39/525317639.db2.gz	NYAKDTQIFGEEPL-LJQANCHMSA-N	1	0	353.422	1.826	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cnn(-c3ccccc3)c2)CC1	ZINC000126593669	525331594	/nfs/dbraw/zinc/33/15/94/525331594.db2.gz	SWOHAMGPRIWZSI-UHFFFAOYSA-N	1	0	367.453	1.968	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)NC2CCN(CC[NH+](C)C)CC2)cc1	ZINC000126609789	525332842	/nfs/dbraw/zinc/33/28/42/525332842.db2.gz	YZTMIHXAFTULKC-UHFFFAOYSA-N	1	0	373.501	1.750	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1	ZINC000103163766	525335109	/nfs/dbraw/zinc/33/51/09/525335109.db2.gz	PIGUFVNKWJHLGJ-QGZVFWFLSA-N	1	0	350.488	1.231	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1	ZINC000162970869	525343632	/nfs/dbraw/zinc/34/36/32/525343632.db2.gz	XMFPJFNDZFPSSN-SFHVURJKSA-N	1	0	355.438	1.253	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1	ZINC000162977879	525344619	/nfs/dbraw/zinc/34/46/19/525344619.db2.gz	KFOYQUJAXVQLFQ-DOTOQJQBSA-N	1	0	357.458	1.118	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC3(CC2)[C@@H](O)C[C@@H]3OCC)CC1	ZINC000163008827	525350625	/nfs/dbraw/zinc/35/06/25/525350625.db2.gz	PWQFQFUWCFKHIU-ROUUACIJSA-N	1	0	365.518	1.988	20	30		FDEDRO
C=C(C)CNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1	ZINC000126792710	525352446	/nfs/dbraw/zinc/35/24/46/525352446.db2.gz	ZDQRDZVUTUVNJT-UHFFFAOYSA-N	1	0	356.470	1.849	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1	ZINC000177999309	525367982	/nfs/dbraw/zinc/36/79/82/525367982.db2.gz	RNEQQQFJQCZKQN-HUUCEWRRSA-N	1	0	361.417	1.765	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cc1C#N	ZINC000154012950	525392759	/nfs/dbraw/zinc/39/27/59/525392759.db2.gz	ZLOBBZHOPAARTC-HNNXBMFYSA-N	1	0	358.442	1.694	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@H](c1ccco1)N1CCCCC1	ZINC000104154312	525397469	/nfs/dbraw/zinc/39/74/69/525397469.db2.gz	LIEXVOBHZARONA-QGZVFWFLSA-N	1	0	363.506	1.304	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccn(CCC#N)n2)CC1=O	ZINC000117854421	525402367	/nfs/dbraw/zinc/40/23/67/525402367.db2.gz	GSDWAARUBXLGIU-CABCVRRESA-N	1	0	358.446	1.068	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(NC(C)=O)CC1)C(C)C	ZINC000127281948	525404851	/nfs/dbraw/zinc/40/48/51/525404851.db2.gz	RPZMZTKZICSUPW-GOSISDBHSA-N	1	0	350.507	1.995	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)N1CC[NH+]([C@H]2C[C@@H]3CC[C@H]2C3)CC1	ZINC000178391573	525419214	/nfs/dbraw/zinc/41/92/14/525419214.db2.gz	JZDADGYCOSYZBJ-JBCFUHIKSA-N	1	0	372.469	1.236	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(C[NH+](C)C)cc1	ZINC000163562139	525424877	/nfs/dbraw/zinc/42/48/77/525424877.db2.gz	QRECDAWEUNRUOP-OAHLLOKOSA-N	1	0	364.453	1.761	20	30		FDEDRO
CC1CC[NH+]([C@H](CNC(=O)Cn2cnc(C#N)n2)c2ccccc2)CC1	ZINC000178449786	525430205	/nfs/dbraw/zinc/43/02/05/525430205.db2.gz	GDVAFMAYXCWXHO-QGZVFWFLSA-N	1	0	352.442	1.739	20	30		FDEDRO
CC[NH+](CC)CCN(CCOC)C(=O)C(=O)Nc1cccc(C#N)c1C	ZINC000178467919	525434306	/nfs/dbraw/zinc/43/43/06/525434306.db2.gz	KLQGILAKEKFTST-UHFFFAOYSA-N	1	0	360.458	1.622	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(c3ccccc3OC)C2=O)CC1	ZINC000163794496	525449681	/nfs/dbraw/zinc/44/96/81/525449681.db2.gz	WBMGBTQRUFUKCL-MRXNPFEDSA-N	1	0	355.438	1.262	20	30		FDEDRO
CCCN(CC[NH+](C)C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000163814558	525452042	/nfs/dbraw/zinc/45/20/42/525452042.db2.gz	AOZJSEIZQIGHKG-AWEZNQCLSA-N	1	0	366.487	1.025	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)c2c(F)cc(C#N)cc2F)CC1	ZINC000154315299	525491690	/nfs/dbraw/zinc/49/16/90/525491690.db2.gz	PEFPWZZMAAXARM-ZDUSSCGKSA-N	1	0	350.413	1.840	20	30		FDEDRO
C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)Cn1c(=O)onc1-c1ccccc1	ZINC000105340989	525501640	/nfs/dbraw/zinc/50/16/40/525501640.db2.gz	RPXBGGMOVVGCGU-GOSISDBHSA-N	1	0	364.405	1.868	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1cnc(CC)nc1)C(C)C	ZINC000128107672	525505183	/nfs/dbraw/zinc/50/51/83/525505183.db2.gz	UKOPRTWDBQYISD-INIZCTEOSA-N	1	0	359.474	1.792	20	30		FDEDRO
N#Cc1ccc(N2C(=O)C[C@@H](N3CCC(N4CCCC4=O)CC3)C2=O)cc1	ZINC000105411772	525508207	/nfs/dbraw/zinc/50/82/07/525508207.db2.gz	PACOLSCZOORTBY-QGZVFWFLSA-N	1	0	366.421	1.277	20	30		FDEDRO
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(S(=O)(=O)CC2(C#N)CC2)CC1	ZINC000165032470	525540134	/nfs/dbraw/zinc/54/01/34/525540134.db2.gz	UYXWKYNEIBUIQJ-HZPDHXFCSA-N	1	0	354.520	1.110	20	30		FDEDRO
CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1	ZINC000128515860	525551528	/nfs/dbraw/zinc/55/15/28/525551528.db2.gz	HWUSVIWKOWXIAR-OAHLLOKOSA-N	1	0	371.485	1.964	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)/C=C/c2ccc(OCC(N)=O)cc2)CC1	ZINC000106038299	525553934	/nfs/dbraw/zinc/55/39/34/525553934.db2.gz	XYUCIYJHYZWFCK-VMPITWQZSA-N	1	0	357.454	1.721	20	30		FDEDRO
COc1ccc(S(=O)(=O)N2CC([NH2+]CC(C)(C)CCC#N)C2)cc1	ZINC000154607301	525588609	/nfs/dbraw/zinc/58/86/09/525588609.db2.gz	ICOMLGOZMOLOPD-UHFFFAOYSA-N	1	0	351.472	1.988	20	30		FDEDRO
C[C@@]1(O)CCC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1	ZINC000179660985	525611857	/nfs/dbraw/zinc/61/18/57/525611857.db2.gz	IIKUNELTJVHJRB-MAUKXSAKSA-N	1	0	362.499	1.304	20	30		FDEDRO
Cc1nc(CN2CCC[N@H+](CCC(=O)Nc3sccc3C#N)CC2)no1	ZINC000106149089	525631613	/nfs/dbraw/zinc/63/16/13/525631613.db2.gz	VLVSYPIHZYTUIH-UHFFFAOYSA-N	1	0	374.470	1.848	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)NC(=O)c2[nH]nc3ccccc32)CC1	ZINC000106290869	525689138	/nfs/dbraw/zinc/68/91/38/525689138.db2.gz	LKLQXTYPEDZBTO-CQSZACIVSA-N	1	0	369.469	1.838	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccccc2CNC(=O)N2CCO[C@H](C#N)C2)CC1	ZINC000106331288	525694689	/nfs/dbraw/zinc/69/46/89/525694689.db2.gz	XYNINDBDLUNRQV-LJQANCHMSA-N	1	0	371.485	1.258	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)cc1	ZINC000180349665	525694837	/nfs/dbraw/zinc/69/48/37/525694837.db2.gz	FLEAVBUGISNVQX-UHFFFAOYSA-N	1	0	372.469	1.530	20	30		FDEDRO
N#C[C@H]1CN(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CCO1	ZINC000106331840	525695007	/nfs/dbraw/zinc/69/50/07/525695007.db2.gz	DDWOJXUHOQBBSW-SFHVURJKSA-N	1	0	357.458	1.133	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCNC(=O)[C@H]2c2ccccc2)CC1	ZINC000106340857	525697218	/nfs/dbraw/zinc/69/72/18/525697218.db2.gz	VZPDHOYJEHXNSI-GOSISDBHSA-N	1	0	356.470	1.910	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-n3nccn3)cc2)CC1	ZINC000106348871	525699194	/nfs/dbraw/zinc/69/91/94/525699194.db2.gz	RTIGKIIDUVFOSL-UHFFFAOYSA-N	1	0	368.441	1.363	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(NC(C)=O)cc2)CC1	ZINC000106349537	525699769	/nfs/dbraw/zinc/69/97/69/525699769.db2.gz	JIIMMZSOOCWPFY-UHFFFAOYSA-N	1	0	358.442	1.740	20	30		FDEDRO
Cn1ccnc1[C@@H](O)C1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000119446585	525748139	/nfs/dbraw/zinc/74/81/39/525748139.db2.gz	CGEQTDWTJJJKAF-MJGOQNOKSA-N	1	0	370.453	1.477	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)cc1	ZINC000119479315	525761077	/nfs/dbraw/zinc/76/10/77/525761077.db2.gz	MHCSTXPGYMWYBM-MSOLQXFVSA-N	1	0	360.454	1.815	20	30		FDEDRO
CCN1CCC[C@H]1CNC(=[NH2+])NCCS(=O)(=O)c1ccc(Cl)cc1	ZINC000170904878	525762528	/nfs/dbraw/zinc/76/25/28/525762528.db2.gz	WIQOYXPYRVZTFO-AWEZNQCLSA-N	1	0	372.922	1.502	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1	ZINC000180998699	525787995	/nfs/dbraw/zinc/78/79/95/525787995.db2.gz	MYQHEOPIPYITCM-UHFFFAOYSA-N	1	0	354.458	1.443	20	30		FDEDRO
C=CCCS(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	ZINC000119666518	525820333	/nfs/dbraw/zinc/82/03/33/525820333.db2.gz	WUZUGDVZPBYKCA-UHFFFAOYSA-N	1	0	357.520	1.206	20	30		FDEDRO
C=C(C)C[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000181264701	525830462	/nfs/dbraw/zinc/83/04/62/525830462.db2.gz	WWNAHQGCVJPVGG-UHFFFAOYSA-N	1	0	351.472	1.027	20	30		FDEDRO
C=CCNC(=O)CNC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C	ZINC000181476508	525860434	/nfs/dbraw/zinc/86/04/34/525860434.db2.gz	RLIAYGSZLYPAHH-UHFFFAOYSA-N	1	0	359.474	1.561	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1ccc(C#N)cc1	ZINC000107402693	525885544	/nfs/dbraw/zinc/88/55/44/525885544.db2.gz	LSSIEFCARQOVRP-UHFFFAOYSA-N	1	0	351.410	1.482	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)c1	ZINC000119858026	525887423	/nfs/dbraw/zinc/88/74/23/525887423.db2.gz	KTURMMZNQBQTJQ-CRAIPNDOSA-N	1	0	357.454	1.826	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cc(-c3cccs3)nn2CCO)CC1	ZINC000171227433	525909438	/nfs/dbraw/zinc/90/94/38/525909438.db2.gz	LKLRTKHNTOXULB-UHFFFAOYSA-N	1	0	358.467	1.888	20	30		FDEDRO
CC[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1cccc(S(N)(=O)=O)c1	ZINC000181741804	525913960	/nfs/dbraw/zinc/91/39/60/525913960.db2.gz	LUJBGFCORSANCW-QGZVFWFLSA-N	1	0	372.450	1.885	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1	ZINC000181899861	525975094	/nfs/dbraw/zinc/97/50/94/525975094.db2.gz	VRIHPHBJXIEFBA-KFWWJZLASA-N	1	0	358.442	1.905	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1	ZINC000181914587	525978990	/nfs/dbraw/zinc/97/89/90/525978990.db2.gz	LENOBEUUDWPYCA-INMHGKMJSA-N	1	0	370.453	1.859	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cn1	ZINC000171434187	525991273	/nfs/dbraw/zinc/99/12/73/525991273.db2.gz	SJVWTBNSEXQASL-KRWDZBQOSA-N	1	0	370.478	1.796	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)c1	ZINC000108610720	526005036	/nfs/dbraw/zinc/00/50/36/526005036.db2.gz	ODPUXBACWDSQOY-SFHVURJKSA-N	1	0	357.454	1.874	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1CCC(CC(=O)N2CCN(CC)CC2)CC1	ZINC000108757612	526018538	/nfs/dbraw/zinc/01/85/38/526018538.db2.gz	UNHAKXJACYXPED-KRWDZBQOSA-N	1	0	365.518	1.760	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2C)CC1	ZINC000133182727	526030790	/nfs/dbraw/zinc/03/07/90/526030790.db2.gz	PPMDITLQXSZZMU-UHFFFAOYSA-N	1	0	369.465	1.751	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)N3CCO[C@@H](C#N)C3)c(C)c2)CC1	ZINC000171548832	526031042	/nfs/dbraw/zinc/03/10/42/526031042.db2.gz	PKEJNQOPTYOVNL-KRWDZBQOSA-N	1	0	357.458	1.893	20	30		FDEDRO
CC[NH+]=C(NCc1nc(C)cs1)NCC1CCN(S(C)(=O)=O)CC1	ZINC000171624867	526056376	/nfs/dbraw/zinc/05/63/76/526056376.db2.gz	ZVVSISVYVYLGLR-UHFFFAOYSA-N	1	0	373.548	1.178	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc3c(c2)OCCO3)c1C#N	ZINC000133469783	526063298	/nfs/dbraw/zinc/06/32/98/526063298.db2.gz	BKXPPTXDWJOQLF-UHFFFAOYSA-N	1	0	355.398	1.386	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](CN1CCOCC1)c1ccccc1	ZINC000182139946	526069023	/nfs/dbraw/zinc/06/90/23/526069023.db2.gz	XUWHBQWPFFYMEF-PKOBYXMFSA-N	1	0	358.486	1.658	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1	ZINC000171722599	526094189	/nfs/dbraw/zinc/09/41/89/526094189.db2.gz	DQSUBMFDXUCWRW-UHFFFAOYSA-N	1	0	363.483	1.607	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H](C)NC(=O)/C=C/c2ccc(OC)cc2)CC1	ZINC000171726393	526095139	/nfs/dbraw/zinc/09/51/39/526095139.db2.gz	JQZWVNKUFGKARR-OJXHRBAXSA-N	1	0	371.481	1.980	20	30		FDEDRO
CCc1cccc(CC)c1NC(=[NH2+])NC[C@@H]1CCN(S(C)(=O)=O)C1	ZINC000133842485	526099236	/nfs/dbraw/zinc/09/92/36/526099236.db2.gz	VIXZINAKIXEUMK-ZDUSSCGKSA-N	1	0	352.504	1.820	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)CC1	ZINC000171739487	526103680	/nfs/dbraw/zinc/10/36/80/526103680.db2.gz	ABYYYNLRVVVXFD-UHFFFAOYSA-N	1	0	366.487	1.675	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1	ZINC000134095167	526123579	/nfs/dbraw/zinc/12/35/79/526123579.db2.gz	MYPPXJLPHZJHOV-HUUCEWRRSA-N	1	0	358.442	1.716	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2sccc2S(=O)(=O)N(C)C)CC1	ZINC000171811662	526133694	/nfs/dbraw/zinc/13/36/94/526133694.db2.gz	ZMJXXUVDWBBGNU-UHFFFAOYSA-N	1	0	357.501	1.379	20	30		FDEDRO
N#CCCCCS(=O)(=O)NCc1ccccc1C[NH+]1CCC(O)CC1	ZINC000182487192	526186812	/nfs/dbraw/zinc/18/68/12/526186812.db2.gz	DAWLBKNMPOYCQQ-UHFFFAOYSA-N	1	0	365.499	1.757	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)c1	ZINC000109840286	526196448	/nfs/dbraw/zinc/19/64/48/526196448.db2.gz	BPSFNGPSQHZUBO-HNNXBMFYSA-N	1	0	351.472	1.317	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)c1	ZINC000109840282	526196493	/nfs/dbraw/zinc/19/64/93/526196493.db2.gz	BPSFNGPSQHZUBO-OAHLLOKOSA-N	1	0	351.472	1.317	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCCC2CC[NH+](C)CC2)c1	ZINC000110071623	526219165	/nfs/dbraw/zinc/21/91/65/526219165.db2.gz	ABLHNFYPFBTCPV-UHFFFAOYSA-N	1	0	365.499	1.613	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](N3CC[NH+](C[C@H]4CCOC4)CC3)C2=O)cc1	ZINC000182829902	535871892	/nfs/dbraw/zinc/87/18/92/535871892.db2.gz	MASNDNCHQKSPMU-QUCCMNQESA-N	1	0	368.481	1.708	20	30		FDEDRO
C[C@@H]1C[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1N1CCOCC1	ZINC000182835341	535872971	/nfs/dbraw/zinc/87/29/71/535872971.db2.gz	VERFMRDJTTYEOH-AHRSYUTCSA-N	1	0	368.481	1.706	20	30		FDEDRO
N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1	ZINC000183160673	535931275	/nfs/dbraw/zinc/93/12/75/535931275.db2.gz	UEAKCQMSISHUDM-IBGZPJMESA-N	1	0	374.460	1.239	20	30		FDEDRO
CNC(=O)[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C(C)C	ZINC000183667457	536026484	/nfs/dbraw/zinc/02/64/84/536026484.db2.gz	IESYNMNCRMVHOV-INIZCTEOSA-N	1	0	354.414	1.043	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1	ZINC000183704456	536033149	/nfs/dbraw/zinc/03/31/49/536033149.db2.gz	KGFVAHDOBMHRBX-UHFFFAOYSA-N	1	0	371.890	1.679	20	30		FDEDRO
COC(=O)c1cn(C2CC[NH+](Cc3ccc(OC)c(C#N)c3)CC2)nn1	ZINC000183713555	536035229	/nfs/dbraw/zinc/03/52/29/536035229.db2.gz	UWLMABUAVGGTMH-UHFFFAOYSA-N	1	0	355.398	1.782	20	30		FDEDRO
CC#CCCCC(=O)N1CCN(CCNC(=O)c2ccc(OC)cc2)CC1	ZINC000183818944	536053278	/nfs/dbraw/zinc/05/32/78/536053278.db2.gz	BNKQPHGAPNQTQJ-UHFFFAOYSA-N	1	0	371.481	1.763	20	30		FDEDRO
Cn1ccnc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1=O	ZINC000183893734	536062804	/nfs/dbraw/zinc/06/28/04/536062804.db2.gz	MHPXIVZOIHPCQB-UHFFFAOYSA-N	1	0	354.414	1.248	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1	ZINC000184710739	536177444	/nfs/dbraw/zinc/17/74/44/536177444.db2.gz	JELPSFISBJYIJW-QGZVFWFLSA-N	1	0	369.465	1.972	20	30		FDEDRO
CC1CCN(C(=[NH2+])NCc2cccc(N3CCCS3(=O)=O)c2)CC1	ZINC000184845976	536187504	/nfs/dbraw/zinc/18/75/04/536187504.db2.gz	NRSAGOCVOFMCPT-UHFFFAOYSA-N	1	0	350.488	1.773	20	30		FDEDRO
C[C@H]1CCCN1S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000184902026	536190468	/nfs/dbraw/zinc/19/04/68/536190468.db2.gz	LGVJERYKLAUKFE-HNNXBMFYSA-N	1	0	350.488	1.651	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1F	ZINC000185098351	536198583	/nfs/dbraw/zinc/19/85/83/536198583.db2.gz	FBTSJKWSTOELMK-GUTXKFCHSA-N	1	0	367.446	1.099	20	30		FDEDRO
C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)Cc2cccc(C#N)c2)CC1	ZINC000185434516	536208524	/nfs/dbraw/zinc/20/85/24/536208524.db2.gz	DGCZOOPUCQIVRQ-UHFFFAOYSA-N	1	0	364.515	1.394	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@@H]1CCCN(c2ncccn2)C1)=[NH+]C1CCCC1	ZINC000185509345	536210642	/nfs/dbraw/zinc/21/06/42/536210642.db2.gz	JCIZCGRFSMZHKA-MRXNPFEDSA-N	1	0	373.505	1.011	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)/C=C/c1ccc(OCC#N)cc1	ZINC000186950511	536250138	/nfs/dbraw/zinc/25/01/38/536250138.db2.gz	KHZFAAFXELEBCI-YXMGTMDOSA-N	1	0	357.454	1.906	20	30		FDEDRO
C[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[N@@H+]1CCO	ZINC000187697026	536271981	/nfs/dbraw/zinc/27/19/81/536271981.db2.gz	UCTYUGSOEIUQNX-CYBMUJFWSA-N	1	0	362.499	1.435	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1	ZINC000187757873	536273930	/nfs/dbraw/zinc/27/39/30/536273930.db2.gz	AHJAWILGCOMFDK-MRXNPFEDSA-N	1	0	357.454	1.874	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)NC[C@@](C)(O)c1cc(C)oc1C	ZINC000262800539	536904704	/nfs/dbraw/zinc/90/47/04/536904704.db2.gz	QTGALPJGBXTNHI-HNAYVOBHSA-N	1	0	374.489	1.431	20	30		FDEDRO
[NH2+]=C(NCCNC(=O)c1ccc(O)cc1)N[C@@H]1CCOc2ccccc21	ZINC000262846621	536918573	/nfs/dbraw/zinc/91/85/73/536918573.db2.gz	VWNKIWAULZOFJF-MRXNPFEDSA-N	1	0	354.410	1.550	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)c1	ZINC000188957711	536977033	/nfs/dbraw/zinc/97/70/33/536977033.db2.gz	FILIUIKQCBCCFV-UHFFFAOYSA-N	1	0	356.470	1.091	20	30		FDEDRO
CNS(=O)(=O)c1cccc(CNC(=[NH+]C)N2CCc3ccccc32)c1	ZINC000263250494	537001553	/nfs/dbraw/zinc/00/15/53/537001553.db2.gz	OMMRBXGDZPHVGY-UHFFFAOYSA-N	1	0	358.467	1.733	20	30		FDEDRO
C[NH+]=C(NCCNS(=O)(=O)c1ccc(C)cc1)N1CCc2ccccc21	ZINC000263250508	537001852	/nfs/dbraw/zinc/00/18/52/537001852.db2.gz	OMYWNHOEIBOPQD-UHFFFAOYSA-N	1	0	372.494	1.911	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1	ZINC000189135379	537003205	/nfs/dbraw/zinc/00/32/05/537003205.db2.gz	LJWZZIOVANNNKB-INIZCTEOSA-N	1	0	371.485	1.381	20	30		FDEDRO
C[NH+]=C(NCCc1ccc(S(N)(=O)=O)cc1)N1CCc2ccccc21	ZINC000263274578	537006817	/nfs/dbraw/zinc/00/68/17/537006817.db2.gz	XVUNWNMKRYDFQB-UHFFFAOYSA-N	1	0	358.467	1.515	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCCC2)N1CCN(c2ccccc2)CC1	ZINC000263277537	537007630	/nfs/dbraw/zinc/00/76/30/537007630.db2.gz	ZAVSXAURBGADJT-UHFFFAOYSA-N	1	0	353.474	1.512	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1ccccc1-n1nc(C)cc1C	ZINC000269722492	537021786	/nfs/dbraw/zinc/02/17/86/537021786.db2.gz	XURJUBQHDXLKIQ-UHFFFAOYSA-N	1	0	370.501	1.486	20	30		FDEDRO
C=CCOc1ccccc1C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C	ZINC000263694384	537068361	/nfs/dbraw/zinc/06/83/61/537068361.db2.gz	NGTDCMWNLPUBHX-KRWDZBQOSA-N	1	0	359.470	1.924	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1	ZINC000247047890	537074311	/nfs/dbraw/zinc/07/43/11/537074311.db2.gz	SKRXEXRXXUGPGC-IXDOHACOSA-N	1	0	350.507	1.973	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C	ZINC000247483508	537124296	/nfs/dbraw/zinc/12/42/96/537124296.db2.gz	SYZWECFMGCBYTN-ACJLOTCBSA-N	1	0	368.485	1.949	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1	ZINC000247485558	537124398	/nfs/dbraw/zinc/12/43/98/537124398.db2.gz	WMJWYEPFKZYELD-HUUCEWRRSA-N	1	0	369.473	1.053	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)CC1	ZINC000264351188	537142847	/nfs/dbraw/zinc/14/28/47/537142847.db2.gz	BEXCOZOKYUQMMO-SFHVURJKSA-N	1	0	356.470	1.737	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)cc1	ZINC000190141504	537145830	/nfs/dbraw/zinc/14/58/30/537145830.db2.gz	NWLXIVNISHRAQL-HNNXBMFYSA-N	1	0	374.485	1.911	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[N@H+]2C)ccc1F	ZINC000264911255	537150357	/nfs/dbraw/zinc/15/03/57/537150357.db2.gz	NMJKTXLSTHKQRL-ZDUSSCGKSA-N	1	0	355.435	1.114	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1	ZINC000248004062	537162015	/nfs/dbraw/zinc/16/20/15/537162015.db2.gz	KQNIOSPFQIYYCP-OALUTQOASA-N	1	0	370.497	1.985	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(Oc2ccc(F)nc2)CC1	ZINC000190491583	537175157	/nfs/dbraw/zinc/17/51/57/537175157.db2.gz	FMKCTBYPDCSOQK-GFCCVEGCSA-N	1	0	350.394	1.464	20	30		FDEDRO
C[C@H](O)[C@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000248526907	537189744	/nfs/dbraw/zinc/18/97/44/537189744.db2.gz	CZRYUGHKZSGOMJ-VDZJLULYSA-N	1	0	374.460	1.237	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@H]3CN3CCOCC3)C2=O)cc1	ZINC000248731205	537209282	/nfs/dbraw/zinc/20/92/82/537209282.db2.gz	JJGXQDLTRBSFCJ-PMACEKPBSA-N	1	0	368.481	1.850	20	30		FDEDRO
C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1	ZINC000192009737	537218083	/nfs/dbraw/zinc/21/80/83/537218083.db2.gz	WFRPTWNKYVIEAH-DFIPOOPDSA-N	1	0	352.460	1.421	20	30		FDEDRO
C[C@@H]([NH3+])[C@H](C)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1	ZINC000192009921	537218202	/nfs/dbraw/zinc/21/82/02/537218202.db2.gz	OCIYWLLWKMVWLO-ZPIPZWBKSA-N	1	0	352.460	1.421	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)[C@H]1CO	ZINC000248986462	537224050	/nfs/dbraw/zinc/22/40/50/537224050.db2.gz	WJCZQEJHSHHENV-OAGGEKHMSA-N	1	0	362.499	1.160	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](c1cccs1)N1CCOCC1	ZINC000193135502	537240939	/nfs/dbraw/zinc/24/09/39/537240939.db2.gz	ULYGWBPKRUVWGO-UONOGXRCSA-N	1	0	366.487	1.111	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H]2CCCC[C@H]2n2cccn2)CC1	ZINC000251887890	537248570	/nfs/dbraw/zinc/24/85/70/537248570.db2.gz	WMRLMWCSDOVAPX-OTWHNJEPSA-N	1	0	372.517	1.649	20	30		FDEDRO
C=CCc1cc(C(=O)N2CCN(C[C@H](C)O)C[C@H]2C)cc(OC)c1OC	ZINC000251950002	537249055	/nfs/dbraw/zinc/24/90/55/537249055.db2.gz	UYRJQVXVVURXPX-CABCVRRESA-N	1	0	362.470	1.959	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccccc2C#N)[C@@H](C)C1	ZINC000252692874	537251354	/nfs/dbraw/zinc/25/13/54/537251354.db2.gz	XDYMNECPRDINCZ-DOTOQJQBSA-N	1	0	365.499	1.974	20	30		FDEDRO
C[NH+]=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCC1CC1	ZINC000262784952	537254757	/nfs/dbraw/zinc/25/47/57/537254757.db2.gz	MLDHFFXISOLZHQ-UHFFFAOYSA-N	1	0	364.515	1.936	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1	ZINC000193715108	537254843	/nfs/dbraw/zinc/25/48/43/537254843.db2.gz	RJQJVYJORRNHKF-CQSZACIVSA-N	1	0	358.442	1.886	20	30		FDEDRO
CN1CCN(C(=O)CC[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)CC1	ZINC000363740590	537300325	/nfs/dbraw/zinc/30/03/25/537300325.db2.gz	SIXHSOATEMXBRJ-UHFFFAOYSA-N	1	0	369.513	1.230	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1	ZINC000278439803	537326594	/nfs/dbraw/zinc/32/65/94/537326594.db2.gz	SODATRVNJKQAPA-INIZCTEOSA-N	1	0	373.453	1.254	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c(F)c1	ZINC000282667260	537331741	/nfs/dbraw/zinc/33/17/41/537331741.db2.gz	ACPRCOKESRSFRK-AWEZNQCLSA-N	1	0	361.392	1.971	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(S(=O)(=O)CCO)cc2C)CC1	ZINC000278479421	537334306	/nfs/dbraw/zinc/33/43/06/537334306.db2.gz	ALIDWTDMLBMEDL-UHFFFAOYSA-N	1	0	364.467	1.045	20	30		FDEDRO
C#CCNC(=O)CC[N@@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F	ZINC000293114964	537351268	/nfs/dbraw/zinc/35/12/68/537351268.db2.gz	OUXRNSXIPGGDFT-ZDUSSCGKSA-N	1	0	358.360	1.516	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)n1	ZINC000279636235	537352252	/nfs/dbraw/zinc/35/22/52/537352252.db2.gz	ZCZFDYTXXMKHKH-GOSISDBHSA-N	1	0	374.533	1.321	20	30		FDEDRO
CC(C)CCN(CCC#N)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1	ZINC000276237925	537354362	/nfs/dbraw/zinc/35/43/62/537354362.db2.gz	ZOQGNONDQWXSPX-UHFFFAOYSA-N	1	0	354.414	1.994	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1	ZINC000283180982	537358763	/nfs/dbraw/zinc/35/87/63/537358763.db2.gz	ABGTXQOPTKFORO-SFHVURJKSA-N	1	0	359.470	1.983	20	30		FDEDRO
COC(=O)c1cn([C@H]2CC[N@H+](Cc3ccc(O[C@@H](C)C#N)cc3)C2)nn1	ZINC000363908488	537361011	/nfs/dbraw/zinc/36/10/11/537361011.db2.gz	OFYBGFFFBVJHAA-ZFWWWQNUSA-N	1	0	355.398	1.803	20	30		FDEDRO
COc1cccc([C@H](CNC(=O)C(=O)NCCCCC#N)[NH+]2CCCC2)c1	ZINC000283285506	537365649	/nfs/dbraw/zinc/36/56/49/537365649.db2.gz	GWXKGNQMSFJMQL-SFHVURJKSA-N	1	0	372.469	1.758	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N(C)CC[N@H+](C)C1CC1	ZINC000298974732	537393020	/nfs/dbraw/zinc/39/30/20/537393020.db2.gz	GEDVYQMWRINGEC-UHFFFAOYSA-N	1	0	354.454	1.625	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCCn2cnc3ccccc32)CC1	ZINC000283945420	537395560	/nfs/dbraw/zinc/39/55/60/537395560.db2.gz	FXABQDKEPYQTKK-UHFFFAOYSA-N	1	0	369.469	1.309	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@@H](C)C1CCOCC1)C(C)C	ZINC000284253889	537404971	/nfs/dbraw/zinc/40/49/71/537404971.db2.gz	ZLTQSOWNADBSTG-FUHWJXTLSA-N	1	0	365.518	1.733	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1	ZINC000273216048	537416591	/nfs/dbraw/zinc/41/65/91/537416591.db2.gz	CJUHCLXBVRZQHD-AAEUAGOBSA-N	1	0	354.451	1.280	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1	ZINC000299041955	537417156	/nfs/dbraw/zinc/41/71/56/537417156.db2.gz	GBDVPVVTFTZGAM-SJORKVTESA-N	1	0	370.453	1.284	20	30		FDEDRO
C=CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC	ZINC000276353748	537444756	/nfs/dbraw/zinc/44/47/56/537444756.db2.gz	DTTCJVBDHVZWKN-ZDUSSCGKSA-N	1	0	369.487	1.780	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C	ZINC000284679912	537473756	/nfs/dbraw/zinc/47/37/56/537473756.db2.gz	VJDQWMZYPFZBEB-INIZCTEOSA-N	1	0	351.422	1.254	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1	ZINC000365338479	537487142	/nfs/dbraw/zinc/48/71/42/537487142.db2.gz	HCRCBUADYPAELS-SJLPKXTDSA-N	1	0	356.470	1.564	20	30		FDEDRO
N#CCCn1cc(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c(-c2ccncc2)n1	ZINC000281133245	537501674	/nfs/dbraw/zinc/50/16/74/537501674.db2.gz	DBDCYBOGLBGUFB-SJORKVTESA-N	1	0	366.425	1.789	20	30		FDEDRO
COCCc1ccccc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000276448026	537517792	/nfs/dbraw/zinc/51/77/92/537517792.db2.gz	PGERVMDBMAPKMP-UHFFFAOYSA-N	1	0	360.458	1.508	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCc2n[nH]c(=O)cc2C1	ZINC000274986592	537535214	/nfs/dbraw/zinc/53/52/14/537535214.db2.gz	NDHHKEQNURUMII-AWEZNQCLSA-N	1	0	351.410	1.463	20	30		FDEDRO
Cc1nn(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c(=O)c(C#N)c1C	ZINC000299402156	537567045	/nfs/dbraw/zinc/56/70/45/537567045.db2.gz	KZKCLKCMTUVDBW-KRWDZBQOSA-N	1	0	353.426	1.151	20	30		FDEDRO
C=CC[C@@H](CO)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1	ZINC000284810250	537568233	/nfs/dbraw/zinc/56/82/33/537568233.db2.gz	BCOJCHQGJUAOCI-ZCNNSNEGSA-N	1	0	368.481	1.689	20	30		FDEDRO
Cn1ccc(N2CC[C@@H]([NH2+]Cc3cccc(OCCCC#N)c3)C2=O)n1	ZINC000360092659	537578301	/nfs/dbraw/zinc/57/83/01/537578301.db2.gz	KXPMWQREMCIAET-QGZVFWFLSA-N	1	0	353.426	1.998	20	30		FDEDRO
COc1ccc([C@H](C[NH+](C)C)NC(=O)C(=O)Nc2sccc2C#N)cc1	ZINC000293774048	537586709	/nfs/dbraw/zinc/58/67/09/537586709.db2.gz	SKNKSYZCDALICQ-HNNXBMFYSA-N	1	0	372.450	1.986	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)[C@H]2CCCN2Cc2ccc(F)cc2)CCN1C1CC1	ZINC000365813907	537587426	/nfs/dbraw/zinc/58/74/26/537587426.db2.gz	IFWZMSLFNRKNBU-RTBURBONSA-N	1	0	356.445	1.989	20	30		FDEDRO
CCc1nc(CN2CCC(CNC(=[NH2+])N[C@H](C)COC)CC2)cs1	ZINC000304739211	537598450	/nfs/dbraw/zinc/59/84/50/537598450.db2.gz	BDERUMGANSTAAW-CYBMUJFWSA-N	1	0	353.536	1.857	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccc1F)S(=O)(=O)c1cncc(C#N)c1	ZINC000289864591	537608793	/nfs/dbraw/zinc/60/87/93/537608793.db2.gz	QLGXUXFOLJWLFB-UHFFFAOYSA-N	1	0	362.430	1.845	20	30		FDEDRO
CCOC(=O)c1n[nH]c(C2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)n1	ZINC000277774729	537621254	/nfs/dbraw/zinc/62/12/54/537621254.db2.gz	NIMGGJKJXAJPPW-INIZCTEOSA-N	1	0	369.425	1.766	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)Cc3c[nH]c4ncccc34)CC2)C1=O	ZINC000329177601	537635990	/nfs/dbraw/zinc/63/59/90/537635990.db2.gz	MWWUZQFXNXEBSB-MRXNPFEDSA-N	1	0	355.442	1.757	20	30		FDEDRO
O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC000329599767	537639574	/nfs/dbraw/zinc/63/95/74/537639574.db2.gz	WWXIJDNFPOIRDT-VPAKFMSCSA-N	1	0	360.454	1.630	20	30		FDEDRO
Cn1cc([C@@H]2CCN(C(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)C2)cn1	ZINC000329608609	537640437	/nfs/dbraw/zinc/64/04/37/537640437.db2.gz	QWFXRVGPNPKBDE-JKSUJKDBSA-N	1	0	361.490	1.624	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CCN(C(=O)NC3CC[NH+](CC4CC4)CC3)C2)nc1	ZINC000291625211	537646218	/nfs/dbraw/zinc/64/62/18/537646218.db2.gz	KUUBWSQBTFZHKL-SFHVURJKSA-N	1	0	369.469	1.990	20	30		FDEDRO
Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)NC2CC[NH+](C)CC2)cs1	ZINC000329922379	537646823	/nfs/dbraw/zinc/64/68/23/537646823.db2.gz	GISXHEBSHYNOOY-BBRMVZONSA-N	1	0	369.510	1.962	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)CC1	ZINC000329924700	537646899	/nfs/dbraw/zinc/64/68/99/537646899.db2.gz	HSYVZWSFNWXMIP-PMPSAXMXSA-N	1	0	367.494	1.085	20	30		FDEDRO
O=C(Nc1ccc(C(F)(F)F)nn1)NC1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000329924652	537647044	/nfs/dbraw/zinc/64/70/44/537647044.db2.gz	VBQWOSODVXCXGA-NSHDSACASA-N	1	0	373.379	2.322	20	30		FDEDRO
CC(=O)N1CCC[C@H](CNC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C1	ZINC000330004846	537649404	/nfs/dbraw/zinc/64/94/04/537649404.db2.gz	BLMKFABJZNRHBM-DOTOQJQBSA-N	1	0	366.506	1.344	20	30		FDEDRO
C[NH+]1CCC(n2ccc(NC(=O)N[C@@H]3CCO[C@@]4(CCOC4)C3)n2)CC1	ZINC000330222379	537651749	/nfs/dbraw/zinc/65/17/49/537651749.db2.gz	RUNSCLCUSNBZOL-KDOFPFPSSA-N	1	0	363.462	1.814	20	30		FDEDRO
O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000330226780	537651937	/nfs/dbraw/zinc/65/19/37/537651937.db2.gz	OYODXLCZOWVQHJ-LZLYRXPVSA-N	1	0	369.531	1.609	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1C	ZINC000294068369	537652357	/nfs/dbraw/zinc/65/23/57/537652357.db2.gz	VPBVQNXDMXZHIL-UHFFFAOYSA-N	1	0	363.483	1.121	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000294131344	537664608	/nfs/dbraw/zinc/66/46/08/537664608.db2.gz	NTKAPLLEYKVTCU-YOEHRIQHSA-N	1	0	351.809	1.480	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1	ZINC000285342069	537689029	/nfs/dbraw/zinc/68/90/29/537689029.db2.gz	UWRNFLRGHBQVIR-OAHLLOKOSA-N	1	0	357.454	1.468	20	30		FDEDRO
CC(C)(CC#N)CS(=O)(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1	ZINC000295135342	537710548	/nfs/dbraw/zinc/71/05/48/537710548.db2.gz	LOMVFKCBOJADDX-QGZVFWFLSA-N	1	0	365.499	1.612	20	30		FDEDRO
COC(=O)C1CC[NH+](CCCNC(=O)/C=C/c2ccccc2C#N)CC1	ZINC000298515132	537722619	/nfs/dbraw/zinc/72/26/19/537722619.db2.gz	XFFQFZIXKQYLOE-BQYQJAHWSA-N	1	0	355.438	1.963	20	30		FDEDRO
CN(C[C@@H]1CCCN(CC(=O)Nc2sccc2C#N)C1)S(C)(=O)=O	ZINC000285624912	537738329	/nfs/dbraw/zinc/73/83/29/537738329.db2.gz	NMONFNMBVGOGIB-LBPRGKRZSA-N	1	0	370.500	1.162	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[N@@H+]2CCCC[C@H]2COC(=O)N2CCOCC2)cc1	ZINC000375771046	537762551	/nfs/dbraw/zinc/76/25/51/537762551.db2.gz	VCFBUJQXLDZRFL-OALUTQOASA-N	1	0	373.453	1.915	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC[N@@H+](C2CCOCC2)CC1	ZINC000366710152	537829280	/nfs/dbraw/zinc/82/92/80/537829280.db2.gz	ORJHJJRKCFBEBR-FUHWJXTLSA-N	1	0	351.491	1.864	20	30		FDEDRO
N#Cc1cccc(-n2ccc(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2)c1	ZINC000376129818	537843081	/nfs/dbraw/zinc/84/30/81/537843081.db2.gz	GVGNPWTWOYQJQE-IAGOWNOFSA-N	1	0	351.410	1.337	20	30		FDEDRO
C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCCSCc2ccccc2C#N)CC1	ZINC000418928729	537853907	/nfs/dbraw/zinc/85/39/07/537853907.db2.gz	VLWVGZPZIFMQFK-CQSZACIVSA-N	1	0	374.510	1.493	20	30		FDEDRO
N#Cc1c2c(sc1NC(=O)CC[NH2+][C@@H](CO)[C@@H]1CCCOC1)CCC2	ZINC000411994765	537928572	/nfs/dbraw/zinc/92/85/72/537928572.db2.gz	OBCISYLKRGXXRV-DOMZBBRYSA-N	1	0	363.483	1.814	20	30		FDEDRO
C=CC[C@H](CC)NC(=O)C(=O)N(Cc1scnc1C)C[C@H]1CC[NH2+]C1	ZINC000419137542	537954311	/nfs/dbraw/zinc/95/43/11/537954311.db2.gz	PHWFWKLZMAMDIS-GJZGRUSLSA-N	1	0	364.515	1.861	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(=O)N2CCC[C@@H]2c2ccsc2)CC1	ZINC000377481708	537963821	/nfs/dbraw/zinc/96/38/21/537963821.db2.gz	MXKGWWXOFYHJRG-QGZVFWFLSA-N	1	0	359.495	1.873	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)CC1	ZINC000368423676	537979754	/nfs/dbraw/zinc/97/97/54/537979754.db2.gz	XZOHHNDWDDWEOJ-MRXNPFEDSA-N	1	0	365.474	1.084	20	30		FDEDRO
C=CCN(C(=O)c1cn(C)c(=O)[nH]c1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000372599199	537985426	/nfs/dbraw/zinc/98/54/26/537985426.db2.gz	IXLOJVCKJHUOOG-INIZCTEOSA-N	1	0	368.437	1.389	20	30		FDEDRO
C[C@H]1CCCN(C(=O)C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1	ZINC000368914435	537992963	/nfs/dbraw/zinc/99/29/63/537992963.db2.gz	OYOTWWGWVUBRPM-KRWDZBQOSA-N	1	0	368.481	1.919	20	30		FDEDRO
C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](n2ncc(N3CCOCC3)cc2=O)C1	ZINC000369033779	537996728	/nfs/dbraw/zinc/99/67/28/537996728.db2.gz	XTWXLGSMGQMRKJ-FUHWJXTLSA-N	1	0	362.474	1.044	20	30		FDEDRO
C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1	ZINC000415306313	538000194	/nfs/dbraw/zinc/00/01/94/538000194.db2.gz	WHTCHIZCMSACIY-LLVKDONJSA-N	1	0	356.304	1.216	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H]1CCCN(Cc2noc(CC)n2)C1	ZINC000369238139	538007076	/nfs/dbraw/zinc/00/70/76/538007076.db2.gz	RFYJBYHPGZWCEY-INIZCTEOSA-N	1	0	361.490	1.729	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1	ZINC000410899916	538008811	/nfs/dbraw/zinc/00/88/11/538008811.db2.gz	OFXSNOKDESFUTC-ROUUACIJSA-N	1	0	364.534	1.426	20	30		FDEDRO
C[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C[C@H]1C[NH3+]	ZINC000415444436	538048809	/nfs/dbraw/zinc/04/88/09/538048809.db2.gz	GFKOXYSZJIBHDI-TZMCWYRMSA-N	1	0	356.405	2.332	20	30		FDEDRO
CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000415489765	538068930	/nfs/dbraw/zinc/06/89/30/538068930.db2.gz	BMOZXPPIEQTHFN-GFCCVEGCSA-N	1	0	367.247	1.893	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCC(=O)Nc1cccc(C#N)c1	ZINC000369961667	538082543	/nfs/dbraw/zinc/08/25/43/538082543.db2.gz	LNNGSTBBZPIBOP-LZQZEXGQSA-N	1	0	356.470	1.976	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1C#N	ZINC000415872559	538090254	/nfs/dbraw/zinc/09/02/54/538090254.db2.gz	RSVNPWKDTPZGFO-VNQPRFMTSA-N	1	0	370.453	1.788	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[C@H]1CCC[NH2+]C1	ZINC000419889452	538132521	/nfs/dbraw/zinc/13/25/21/538132521.db2.gz	MHKRLWKEVZOTFT-BEFAXECRSA-N	1	0	366.465	1.678	20	30		FDEDRO
C[C@@H]1CCCN(C(=O)C(=O)N(C)CCOCc2ccc(C#N)cc2)[C@@H]1C[NH3+]	ZINC000423723914	538150686	/nfs/dbraw/zinc/15/06/86/538150686.db2.gz	GRHCULLYDJHJCG-CRAIPNDOSA-N	1	0	372.469	1.119	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1	ZINC000419999636	538183893	/nfs/dbraw/zinc/18/38/93/538183893.db2.gz	NCLPBEQWEJJYIH-BHIYHBOVSA-N	1	0	368.481	1.791	20	30		FDEDRO
CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	ZINC000420076808	538204866	/nfs/dbraw/zinc/20/48/66/538204866.db2.gz	BAULDMRNICYYBY-SJORKVTESA-N	1	0	356.470	1.918	20	30		FDEDRO
C=CCN(C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)C1CC1	ZINC000420100982	538219624	/nfs/dbraw/zinc/21/96/24/538219624.db2.gz	NMCLQDHORBDYDO-RHSMWYFYSA-N	1	0	363.408	1.704	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	ZINC000420112897	538224639	/nfs/dbraw/zinc/22/46/39/538224639.db2.gz	HWIWPCDFRQNXDP-UBDQQSCGSA-N	1	0	354.454	1.399	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	ZINC000420112893	538224713	/nfs/dbraw/zinc/22/47/13/538224713.db2.gz	HWIWPCDFRQNXDP-LAVFITLUSA-N	1	0	354.454	1.399	20	30		FDEDRO
C[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000424111699	538235222	/nfs/dbraw/zinc/23/52/22/538235222.db2.gz	GZTNVGQPUCFMEX-IUODEOHRSA-N	1	0	352.460	1.135	20	30		FDEDRO
COC(=O)[C@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccc(Br)cc1	ZINC000424112570	538236180	/nfs/dbraw/zinc/23/61/80/538236180.db2.gz	KMPHZGSXAJJRLK-CHWSQXEVSA-N	1	0	368.231	1.801	20	30		FDEDRO
CN(CCCOc1cccc(S(C)(=O)=O)c1)C(=O)[C@@H]([NH3+])CCCC#N	ZINC000424110542	538236266	/nfs/dbraw/zinc/23/62/66/538236266.db2.gz	YZHNDVQDASXFBX-INIZCTEOSA-N	1	0	367.471	1.339	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NCc1cc(Br)c2c(c1)OCCO2	ZINC000424115594	538238124	/nfs/dbraw/zinc/23/81/24/538238124.db2.gz	VVBYBGDQWHZUDR-GFCCVEGCSA-N	1	0	368.231	1.858	20	30		FDEDRO
Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)c1	ZINC000424126570	538242901	/nfs/dbraw/zinc/24/29/01/538242901.db2.gz	OYBHQBHDZYLXMC-SJLPKXTDSA-N	1	0	372.469	1.454	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NCc1cccc(NC(=O)c2ccccn2)c1	ZINC000424126478	538243041	/nfs/dbraw/zinc/24/30/41/538243041.db2.gz	BTYFUFQZDZPTMX-MRXNPFEDSA-N	1	0	351.410	1.971	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)C[C@@H]1[NH+]1CCCC1	ZINC000445743297	538253647	/nfs/dbraw/zinc/25/36/47/538253647.db2.gz	QQMGFWFXYLBXAR-LSDHHAIUSA-N	1	0	357.545	1.912	20	30		FDEDRO
CC[NH+](CC)CCOC1CCN(C(=O)C(=O)NCC(C)(C)CC#N)CC1	ZINC000422488781	538279460	/nfs/dbraw/zinc/27/94/60/538279460.db2.gz	OAZXQMGQPCVPRF-UHFFFAOYSA-N	1	0	366.506	1.392	20	30		FDEDRO
CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)C(=O)N=c1ccn(CCC#N)[nH]1	ZINC000441422583	538326345	/nfs/dbraw/zinc/32/63/45/538326345.db2.gz	QAOWDFBBBUTZLS-HZPDHXFCSA-N	1	0	374.489	1.752	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1	ZINC000424553404	538327853	/nfs/dbraw/zinc/32/78/53/538327853.db2.gz	ZHFYBFMUBRNFSD-BZSNNMDCSA-N	1	0	359.470	1.633	20	30		FDEDRO
CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC)C1	ZINC000442707891	538369495	/nfs/dbraw/zinc/36/94/95/538369495.db2.gz	XPOXCXIDZBOAKC-OAHLLOKOSA-N	1	0	358.442	1.696	20	30		FDEDRO
Cc1cc(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)nn1-c1cccc(C#N)c1	ZINC000452386611	538388415	/nfs/dbraw/zinc/38/84/15/538388415.db2.gz	XXFSMKROQGAGAE-QGZVFWFLSA-N	1	0	367.453	1.629	20	30		FDEDRO
C=CCC1(C(=O)N[C@H](C)C(=O)NCC[NH+]2CCCCC2)CCOCC1	ZINC000425293247	538396875	/nfs/dbraw/zinc/39/68/75/538396875.db2.gz	KDBLABJARRGNPO-MRXNPFEDSA-N	1	0	351.491	1.466	20	30		FDEDRO
C=C(C)[C@H]1OCCC[C@H]1C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000457545057	538499489	/nfs/dbraw/zinc/49/94/89/538499489.db2.gz	VVMSHOYPVKFFTC-RTBURBONSA-N	1	0	373.497	1.966	20	30		FDEDRO
C=CCc1cc(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)cc(OC)c1OC	ZINC000486690468	538548872	/nfs/dbraw/zinc/54/88/72/538548872.db2.gz	VJRURFIBZIPFGZ-QGZVFWFLSA-N	1	0	359.470	1.438	20	30		FDEDRO
C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2C#N)cc1	ZINC000461772087	538563552	/nfs/dbraw/zinc/56/35/52/538563552.db2.gz	FXSSVQZJNYIECO-CJNGLKHVSA-N	1	0	371.441	1.324	20	30		FDEDRO
N#Cc1ccc(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1F	ZINC000455536180	538672057	/nfs/dbraw/zinc/67/20/57/538672057.db2.gz	HVOXPFXIWIRNLO-QZTJIDSGSA-N	1	0	360.433	1.874	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1	ZINC000501624262	538685496	/nfs/dbraw/zinc/68/54/96/538685496.db2.gz	MTQSKORNICICAD-IBGZPJMESA-N	1	0	368.481	1.897	20	30		FDEDRO
CCOC(=O)[C@@H]1CCCN(CC#CC[N@@H+]2CCC[C@@H](C(=O)OCC)C2)C1	ZINC000472750958	538692939	/nfs/dbraw/zinc/69/29/39/538692939.db2.gz	MBWHHDCFOXJPQU-QZTJIDSGSA-N	1	0	364.486	1.540	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)cc1	ZINC000483519096	538709832	/nfs/dbraw/zinc/70/98/32/538709832.db2.gz	HXDZPGRWTDIBSN-XJKCOSOUSA-N	1	0	364.471	1.977	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc1	ZINC000489365661	538806542	/nfs/dbraw/zinc/80/65/42/538806542.db2.gz	XCUAYWKLJKEWDJ-QGZVFWFLSA-N	1	0	365.499	1.563	20	30		FDEDRO
C=CCc1cc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc(OC)c1O	ZINC000470023301	538825701	/nfs/dbraw/zinc/82/57/01/538825701.db2.gz	YZHJIFWUZIPUAV-SFHVURJKSA-N	1	0	373.497	1.773	20	30		FDEDRO
C[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)n1cnc(C#N)n1	ZINC000560760707	545596237	/nfs/dbraw/zinc/59/62/37/545596237.db2.gz	QMOZBOKOQUUEAT-OXJNMPFZSA-N	1	0	364.453	1.835	20	30		FDEDRO
C[C@@H](Cn1cccn1)[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000561223854	545756232	/nfs/dbraw/zinc/75/62/32/545756232.db2.gz	HILPQRMNJWQEHX-JKSUJKDBSA-N	1	0	372.498	1.332	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000561678322	545924985	/nfs/dbraw/zinc/92/49/85/545924985.db2.gz	LKENXEUZDIWPBS-CVEARBPZSA-N	1	0	351.491	1.465	20	30		FDEDRO
C[N@H+](CCN1CCN(C(=O)NCC2(C#N)CC2)CC1)Cc1ccccc1	ZINC000562394379	546122070	/nfs/dbraw/zinc/12/20/70/546122070.db2.gz	VCODDDJMZQZNPR-UHFFFAOYSA-N	1	0	355.486	1.749	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]CC2(N3CCCC3)CCOCC2)cc1	ZINC000562986352	546342223	/nfs/dbraw/zinc/34/22/23/546342223.db2.gz	XGZZLWHVAQJALI-GOSISDBHSA-N	1	0	359.470	1.533	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)ccc1Cl	ZINC000563129917	546417827	/nfs/dbraw/zinc/41/78/27/546417827.db2.gz	JRWUTZCSGNVQPE-CVEARBPZSA-N	1	0	369.874	1.729	20	30		FDEDRO
CC1CC[NH+](C[C@@H](O)CNC[C@@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000563140044	546422154	/nfs/dbraw/zinc/42/21/54/546422154.db2.gz	AZRQFNHUDKWOHH-RBUKOAKNSA-N	1	0	361.486	1.175	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CNc1ccc(C#N)cn1	ZINC000563187982	546437662	/nfs/dbraw/zinc/43/76/62/546437662.db2.gz	YTEMVSLXUCTTNZ-QFBILLFUSA-N	1	0	363.465	2.392	20	30		FDEDRO
C[NH2+]CCCC(=O)N1CCC(NC(=O)Nc2cccc(C#N)c2C)CC1	ZINC000563447992	546540924	/nfs/dbraw/zinc/54/09/24/546540924.db2.gz	KLDIVUNSFOTSSK-UHFFFAOYSA-N	1	0	357.458	1.979	20	30		FDEDRO
Cc1nsc(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1C#N	ZINC000563497319	546557883	/nfs/dbraw/zinc/55/78/83/546557883.db2.gz	XCGCFJCOTLPVFA-JTQLQIEISA-N	1	0	362.381	1.281	20	30		FDEDRO
CCn1nccc1N1CCC[C@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)C1=O	ZINC000563714039	546658541	/nfs/dbraw/zinc/65/85/41/546658541.db2.gz	NQBKBIMKNXLYSG-HNNXBMFYSA-N	1	0	364.413	1.103	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1	ZINC000563953862	546750858	/nfs/dbraw/zinc/75/08/58/546750858.db2.gz	YJUGSVIAWCQWGT-QAPCUYQASA-N	1	0	354.454	1.774	20	30		FDEDRO
CCN(CC)C(=O)C[NH+]1CCC(NC(=O)[C@]2(C#N)CC23CCCC3)CC1	ZINC000564099991	546809355	/nfs/dbraw/zinc/80/93/55/546809355.db2.gz	RJECEOAEVVRMJY-HXUWFJFHSA-N	1	0	360.502	1.909	20	30		FDEDRO
CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC(=O)Nc3oc(C)c(C)c3C#N)[C@H]2C1	ZINC000564153175	546824791	/nfs/dbraw/zinc/82/47/91/546824791.db2.gz	UQOJINUDGTUGTB-XIRDDKMYSA-N	1	0	358.442	1.943	20	30		FDEDRO
N#CC1(CS(=O)(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCC1	ZINC000564354936	546890089	/nfs/dbraw/zinc/89/00/89/546890089.db2.gz	HOJRYKTWPGZPDC-GOSISDBHSA-N	1	0	363.483	1.237	20	30		FDEDRO
CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000564542525	546947031	/nfs/dbraw/zinc/94/70/31/546947031.db2.gz	GLEGLDHQUQDQSA-UONOGXRCSA-N	1	0	366.487	1.070	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(CC#N)cc2)[C@@H](C)C1	ZINC000564955653	547126554	/nfs/dbraw/zinc/12/65/54/547126554.db2.gz	UPRTYIYWCZAHOO-MAUKXSAKSA-N	1	0	356.470	1.558	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(CC#N)cc2)[C@H](C)C1	ZINC000564955652	547127141	/nfs/dbraw/zinc/12/71/41/547127141.db2.gz	UPRTYIYWCZAHOO-CRAIPNDOSA-N	1	0	356.470	1.558	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CC[C@H](C[NH3+])CC1	ZINC000564966358	547131945	/nfs/dbraw/zinc/13/19/45/547131945.db2.gz	HLRIUQHNNLKPOU-HAQNSBGRSA-N	1	0	352.416	1.510	20	30		FDEDRO
CSC1(CNS(=O)(=O)Cc2cccc(C#N)c2)CC[NH+](C)CC1	ZINC000565333251	547310607	/nfs/dbraw/zinc/31/06/07/547310607.db2.gz	NZMWATLOHDUKRT-UHFFFAOYSA-N	1	0	353.513	1.805	20	30		FDEDRO
Cc1nn(C)c(N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1C#N	ZINC000565349431	547315664	/nfs/dbraw/zinc/31/56/64/547315664.db2.gz	VZTJKNRCYVMVSS-LJQANCHMSA-N	1	0	364.497	1.997	20	30		FDEDRO
C[C@H]1CC(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C[C@H](C)O1	ZINC000565478851	547366723	/nfs/dbraw/zinc/36/67/23/547366723.db2.gz	RFAAKWCMZJWMMU-KBPBESRZSA-N	1	0	351.472	1.910	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](Oc3ccccc3)C2)CC1	ZINC000565655434	547434068	/nfs/dbraw/zinc/43/40/68/547434068.db2.gz	SDKFAJJACUOQIG-VQTJNVASSA-N	1	0	370.497	1.832	20	30		FDEDRO
Cc1ccccc1C[C@@H](CO)[NH2+]C[C@H](O)COc1ccc(CC#N)cc1	ZINC000565716262	547454226	/nfs/dbraw/zinc/45/42/26/547454226.db2.gz	BGTLVZPRPNYTGR-PMACEKPBSA-N	1	0	354.450	1.994	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O	ZINC000565770397	547473619	/nfs/dbraw/zinc/47/36/19/547473619.db2.gz	SOQRRGBJBHODFJ-AABGKKOBSA-N	1	0	363.477	1.695	20	30		FDEDRO
Cc1csc(NC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1C#N	ZINC000565841759	547503335	/nfs/dbraw/zinc/50/33/35/547503335.db2.gz	KGLJOYGJIWVIGB-AWEZNQCLSA-N	1	0	363.487	1.992	20	30		FDEDRO
N#Cc1cnn2cc(CN3CCC[C@@H]3C(=O)NCc3ccco3)cnc12	ZINC000565892398	547523179	/nfs/dbraw/zinc/52/31/79/547523179.db2.gz	GJNLSPHJVZQNCG-MRXNPFEDSA-N	1	0	350.382	1.475	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@](C)(OC)C1)C(C)C	ZINC000566000500	547561310	/nfs/dbraw/zinc/56/13/10/547561310.db2.gz	FRQBAFSQVUSDIR-XLIONFOSSA-N	1	0	365.518	1.829	20	30		FDEDRO
C[C@H]1CC2(CN1C(=O)C(=O)NCc1ccc(CC#N)cc1)CC[NH2+]CC2	ZINC000566236436	547675573	/nfs/dbraw/zinc/67/55/73/547675573.db2.gz	DNQVTRYIAJYITR-HNNXBMFYSA-N	1	0	354.454	1.359	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2[C@H](C)C[N@H+](CC)C[C@@H]2C)c1	ZINC000566466872	547771833	/nfs/dbraw/zinc/77/18/33/547771833.db2.gz	QEGCEMRPTFCHHW-GASCZTMLSA-N	1	0	365.499	1.706	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCN(CC(F)(F)F)C2)cc1	ZINC000566792359	547886684	/nfs/dbraw/zinc/88/66/84/547886684.db2.gz	UXOWXZCXGUFLRT-CYBMUJFWSA-N	1	0	361.389	1.558	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H](O)COc2ccc(F)cc2)cc1	ZINC000566933843	547936455	/nfs/dbraw/zinc/93/64/55/547936455.db2.gz	VMOGRFREUUWAOU-IAGOWNOFSA-N	1	0	360.385	1.467	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1	ZINC000567009944	547962362	/nfs/dbraw/zinc/96/23/62/547962362.db2.gz	HTBYWIFGUIVPGN-KRWDZBQOSA-N	1	0	357.458	1.007	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)C(=O)NCc2ccc(CC#N)cc2)CCCCC1	ZINC000567351004	548088204	/nfs/dbraw/zinc/08/82/04/548088204.db2.gz	MMTHIGSBSCXWOP-UHFFFAOYSA-N	1	0	356.470	1.750	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1N1CCN(c2ncncc2C#N)CC1	ZINC000567466585	548127134	/nfs/dbraw/zinc/12/71/34/548127134.db2.gz	XLTOXBZYKDEHNK-UHFFFAOYSA-N	1	0	352.442	1.615	20	30		FDEDRO
N#CC1(CC[N@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CCCCC1	ZINC000567467342	548127276	/nfs/dbraw/zinc/12/72/76/548127276.db2.gz	YMSAKCJBGJLGHX-QGZVFWFLSA-N	1	0	369.531	1.977	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)CC[C@@H]3CCCC[N@@H+]3C)CC2)c1C#N	ZINC000567777582	548254209	/nfs/dbraw/zinc/25/42/09/548254209.db2.gz	SLGHAXJUMZODFB-INIZCTEOSA-N	1	0	358.490	1.513	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000568241780	548455086	/nfs/dbraw/zinc/45/50/86/548455086.db2.gz	YYTVAIXCLIEKOM-QZTJIDSGSA-N	1	0	364.534	1.333	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)CN(C)CCOCc2ccc(C#N)cc2)CC1	ZINC000568743996	548660459	/nfs/dbraw/zinc/66/04/59/548660459.db2.gz	URFHORXJOCUKTK-UHFFFAOYSA-N	1	0	372.513	1.996	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2C[C@@H](C)n3ccnc32)c1	ZINC000569197162	548828725	/nfs/dbraw/zinc/82/87/25/548828725.db2.gz	BTKUPLSKQSZSMG-DOMZBBRYSA-N	1	0	360.439	1.783	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000569333231	548877927	/nfs/dbraw/zinc/87/79/27/548877927.db2.gz	ZLXNTAALKRSCEO-CVEARBPZSA-N	1	0	363.483	1.569	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)Cc3ccc(F)cc3C#N)CC[C@H]21	ZINC000569426763	548912611	/nfs/dbraw/zinc/91/26/11/548912611.db2.gz	SZHCFSGWZORKHC-SUMWQHHRSA-N	1	0	351.447	1.943	20	30		FDEDRO
O=C(NCC#Cc1cccc(C(F)(F)F)c1)C(=O)NCC1CC[NH2+]CC1	ZINC000569559052	548960132	/nfs/dbraw/zinc/96/01/32/548960132.db2.gz	HPFHKOOJBLFIIW-UHFFFAOYSA-N	1	0	367.371	1.289	20	30		FDEDRO
CS(=O)(=O)C1(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CCCC1	ZINC000569568313	548962752	/nfs/dbraw/zinc/96/27/52/548962752.db2.gz	ACGWONZGVLPREE-INIZCTEOSA-N	1	0	366.483	1.439	20	30		FDEDRO
COc1cccc([C@H](CNC(=O)C(=O)Nc2cccc(C#N)n2)[NH+](C)C)c1	ZINC000569967057	549113621	/nfs/dbraw/zinc/11/36/21/549113621.db2.gz	DFBFNPTYIJPMOD-INIZCTEOSA-N	1	0	367.409	1.319	20	30		FDEDRO
CCn1cc([C@H]2OCCC[C@@H]2[NH2+]C[C@@H]2CNc3c(C#N)cnn3C2)cn1	ZINC000570093281	549155869	/nfs/dbraw/zinc/15/58/69/549155869.db2.gz	MQABBHTUXKZORX-XOKHGSTOSA-N	1	0	355.446	1.523	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)N(C)[C@H]2CC[NH2+]C2)c(C#N)cn1CCOC	ZINC000570263141	549215307	/nfs/dbraw/zinc/21/53/07/549215307.db2.gz	VKBUFKBQCZWHHP-ZDUSSCGKSA-N	1	0	363.418	1.008	20	30		FDEDRO
N#Cc1cncc(NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)n1	ZINC000570923885	549461783	/nfs/dbraw/zinc/46/17/83/549461783.db2.gz	XEFKFJVZQXVANC-UHFFFAOYSA-N	1	0	350.426	1.658	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)n1	ZINC000571028159	549498634	/nfs/dbraw/zinc/49/86/34/549498634.db2.gz	FZHJIGJFYMQBFB-CHWSQXEVSA-N	1	0	354.389	1.956	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000571031047	549499473	/nfs/dbraw/zinc/49/94/73/549499473.db2.gz	HBGOYGXIKABOCF-WBAXXEDZSA-N	1	0	369.469	1.570	20	30		FDEDRO
N#Cc1cc(NC(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)ccc1F	ZINC000571146573	549541468	/nfs/dbraw/zinc/54/14/68/549541468.db2.gz	LRXVJWQHHVONDP-CXAGYDPISA-N	1	0	373.432	1.809	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1	ZINC000571261901	549583248	/nfs/dbraw/zinc/58/32/48/549583248.db2.gz	UTKWUBLRJYWETB-KURKYZTESA-N	1	0	350.507	1.530	20	30		FDEDRO
CCCN(C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CC[NH2+]C1	ZINC000571387818	549626187	/nfs/dbraw/zinc/62/61/87/549626187.db2.gz	HOYDBHSYOQIJSJ-MSOLQXFVSA-N	1	0	369.469	1.443	20	30		FDEDRO
N#Cc1ccc(NC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1F	ZINC000572376115	549901059	/nfs/dbraw/zinc/90/10/59/549901059.db2.gz	UELKWJGFOZWHEM-DYVFJYSZSA-N	1	0	373.432	1.809	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]CCNC(=O)CC2CCCCC2)cc1	ZINC000572393660	549905128	/nfs/dbraw/zinc/90/51/28/549905128.db2.gz	SJIZZFWNLPUWPY-GOSISDBHSA-N	1	0	359.470	1.974	20	30		FDEDRO
CS(=O)(=O)N1CC[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000572412324	549909136	/nfs/dbraw/zinc/90/91/36/549909136.db2.gz	CRZXHJGEFPHVLH-QGZVFWFLSA-N	1	0	373.482	1.587	20	30		FDEDRO
CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1	ZINC000572545286	549939037	/nfs/dbraw/zinc/93/90/37/549939037.db2.gz	JBRUXNQVWLRLQE-GOSISDBHSA-N	1	0	366.469	1.994	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C1CCOCC1	ZINC000572550521	549940324	/nfs/dbraw/zinc/94/03/24/549940324.db2.gz	NBSCPJAIPLXPLS-IBGZPJMESA-N	1	0	374.460	1.645	20	30		FDEDRO
C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1cccc(Br)c1C#N	ZINC000572613491	549955917	/nfs/dbraw/zinc/95/59/17/549955917.db2.gz	DKGYBMMAIGQJJL-ZJUUUORDSA-N	1	0	358.261	1.821	20	30		FDEDRO
C[C@@]1(CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCC[NH2+]C1	ZINC000572856789	550011788	/nfs/dbraw/zinc/01/17/88/550011788.db2.gz	OHEAYUMGIXNOJM-YLJYHZDGSA-N	1	0	369.469	1.743	20	30		FDEDRO
N#Cc1cccc(OC2CCN(C(=O)C(=O)NCC3CC[NH2+]CC3)CC2)c1	ZINC000573191475	550083830	/nfs/dbraw/zinc/08/38/30/550083830.db2.gz	HKMRAEADZLDXGF-UHFFFAOYSA-N	1	0	370.453	1.044	20	30		FDEDRO
N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1	ZINC000573339099	550115760	/nfs/dbraw/zinc/11/57/60/550115760.db2.gz	DJDXRILVXJTAFN-SMDDNHRTSA-N	1	0	373.363	1.456	20	30		FDEDRO
C[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)N1CCCC[C@H]1C	ZINC000573760984	550206635	/nfs/dbraw/zinc/20/66/35/550206635.db2.gz	SNUYZEZXZKIBFO-HUUCEWRRSA-N	1	0	350.488	1.579	20	30		FDEDRO
CN(C)C1(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)Cc2ccccc2C1	ZINC000574191545	550273708	/nfs/dbraw/zinc/27/37/08/550273708.db2.gz	FBBLALIJHBMHRF-HXUWFJFHSA-N	1	0	365.477	1.987	20	30		FDEDRO
C=C(C)Cn1c(N2CCN(C(=O)C[NH+]3CCCC3)CC2)nnc1C(C)(C)C	ZINC000574214087	550277086	/nfs/dbraw/zinc/27/70/86/550277086.db2.gz	DRTSNFGPGVDYSM-UHFFFAOYSA-N	1	0	374.533	1.896	20	30		FDEDRO
Cc1noc(C)c1CO[C@H]1CCN(Cc2cnc3c(C#N)cnn3c2)C1	ZINC000574400124	550308234	/nfs/dbraw/zinc/30/82/34/550308234.db2.gz	NCJBRGOTJCDZPN-INIZCTEOSA-N	1	0	352.398	1.997	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)[C@H]1CCN(c2sccc2C#N)C1=O	ZINC000574778902	550369253	/nfs/dbraw/zinc/36/92/53/550369253.db2.gz	SHOLTSLBTBYZJL-AWEZNQCLSA-N	1	0	369.454	1.467	20	30		FDEDRO
CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-]	ZINC000575409544	550461183	/nfs/dbraw/zinc/46/11/83/550461183.db2.gz	PNUNCTFJMHBJHS-ZIAGYGMSSA-N	1	0	352.416	1.416	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)c2ccc(CC#N)cc2)(N2CCOCC2)CC1	ZINC000576207836	550522928	/nfs/dbraw/zinc/52/29/28/550522928.db2.gz	ZMWCSDLPJVMUHW-UHFFFAOYSA-N	1	0	356.470	1.279	20	30		FDEDRO
CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@H](O)COc1ccc(CC#N)cc1	ZINC000576578428	550564531	/nfs/dbraw/zinc/56/45/31/550564531.db2.gz	SIFKYLNAEJNMIH-KVSKMBFKSA-N	1	0	359.470	1.775	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1	ZINC000578201778	550738828	/nfs/dbraw/zinc/73/88/28/550738828.db2.gz	SFKHREANBGTADU-XVSDVWIESA-N	1	0	370.453	1.089	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(CCC)C[C@@H]2CCCCO2)CC1	ZINC000578215324	550740235	/nfs/dbraw/zinc/74/02/35/550740235.db2.gz	WQVHOEVEQNBDHK-KRWDZBQOSA-N	1	0	351.491	1.561	20	30		FDEDRO
COc1cc(CNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1C#N	ZINC000578298032	550748738	/nfs/dbraw/zinc/74/87/38/550748738.db2.gz	PDVMWBREPIEGAJ-NRFANRHFSA-N	1	0	365.433	1.820	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)c2nc(C)cs2)CC1	ZINC000579215554	550848262	/nfs/dbraw/zinc/84/82/62/550848262.db2.gz	QCOIERTUABGSSV-LBPRGKRZSA-N	1	0	350.488	1.438	20	30		FDEDRO
CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)NCC1(C#N)CC1	ZINC000579307617	550858066	/nfs/dbraw/zinc/85/80/66/550858066.db2.gz	JMHIIAYSQPJPLH-UHFFFAOYSA-N	1	0	358.442	1.766	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1	ZINC000579431732	550872565	/nfs/dbraw/zinc/87/25/65/550872565.db2.gz	NNOVPFKPTKUOIT-ZMMAXQRCSA-N	1	0	350.507	1.662	20	30		FDEDRO
CO[C@@H](CS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C1CC1	ZINC000580189223	550952714	/nfs/dbraw/zinc/95/27/14/550952714.db2.gz	IVLCJDYCPJJGOA-SFHVURJKSA-N	1	0	365.499	1.677	20	30		FDEDRO
CC[N@H+](C)C[C@@H](O)COc1cc(C#N)ccc1I	ZINC000580659775	551005630	/nfs/dbraw/zinc/00/56/30/551005630.db2.gz	URBQGIWGZCIYBX-LLVKDONJSA-N	1	0	360.195	1.854	20	30		FDEDRO
CSC1(CNS(=O)(=O)c2ccc(C#N)cc2C)CC[NH+](C)CC1	ZINC000580679763	551007121	/nfs/dbraw/zinc/00/71/21/551007121.db2.gz	NTVLNNNVHRRNCB-UHFFFAOYSA-N	1	0	353.513	1.972	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)[C@H]1CN(Cc2ccccc2)CCO1	ZINC000580828587	551022754	/nfs/dbraw/zinc/02/27/54/551022754.db2.gz	CTGBVHFXQXCHNC-DFQSSKMNSA-N	1	0	360.502	1.072	20	30		FDEDRO
C[C@@H](C(=O)N1CCN(c2cc[nH+]c3ccccc32)CC1)n1cnc(C#N)n1	ZINC000580959353	551037457	/nfs/dbraw/zinc/03/74/57/551037457.db2.gz	CBQRNCKATGAHTA-AWEZNQCLSA-N	1	0	361.409	1.608	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)C1CCN(CC(F)(F)F)CC1	ZINC000580966934	551038517	/nfs/dbraw/zinc/03/85/17/551038517.db2.gz	SOVSXLYKEXLTCN-AWEZNQCLSA-N	1	0	373.423	1.895	20	30		FDEDRO
N#Cc1cncnc1N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1	ZINC000581008552	551042602	/nfs/dbraw/zinc/04/26/02/551042602.db2.gz	NAGLMGKOIXONQX-UHFFFAOYSA-N	1	0	356.474	1.557	20	30		FDEDRO
C=CCN(CC1CCCCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1	ZINC000581743753	551130621	/nfs/dbraw/zinc/13/06/21/551130621.db2.gz	KVXZPWCRIWJWBA-QGZVFWFLSA-N	1	0	351.491	1.418	20	30		FDEDRO
Cc1nn(C)c(C)c1CCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000582236955	551194831	/nfs/dbraw/zinc/19/48/31/551194831.db2.gz	VBZJLYQMHXTHMU-UHFFFAOYSA-N	1	0	361.471	1.300	20	30		FDEDRO
C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000582409929	551220096	/nfs/dbraw/zinc/22/00/96/551220096.db2.gz	JDODAYCTDSCAOI-MFNRNEDNSA-N	1	0	357.458	1.940	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@H](CCO)c1ccccc1Br	ZINC000582486187	551230855	/nfs/dbraw/zinc/23/08/55/551230855.db2.gz	HJPOVAHPGPRAMK-XJKSGUPXSA-N	1	0	370.291	1.669	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]C[C@@]3(CO)C[C@@H]3c3ccc(F)cc3)cnc12	ZINC000582665772	551253746	/nfs/dbraw/zinc/25/37/46/551253746.db2.gz	AGWZWBRQGLRXQX-IEBWSBKVSA-N	1	0	351.385	1.996	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000582748029	551262388	/nfs/dbraw/zinc/26/23/88/551262388.db2.gz	VCSRKXLNIZVHKL-GOSISDBHSA-N	1	0	373.497	1.818	20	30		FDEDRO
CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000582878327	551276315	/nfs/dbraw/zinc/27/63/15/551276315.db2.gz	QHQSAWHVWQTGQU-LSDHHAIUSA-N	1	0	359.478	1.297	20	30		FDEDRO
Cc1cc(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)nn1-c1cccc(C#N)c1	ZINC000582914995	551280819	/nfs/dbraw/zinc/28/08/19/551280819.db2.gz	KLTDHFMQHGHJJW-HXUWFJFHSA-N	1	0	365.437	1.239	20	30		FDEDRO
COC(=O)[C@@H](CC[N@H+](C)CCCc1[nH]nc(N)c1C#N)c1ccccc1	ZINC000583260136	551326317	/nfs/dbraw/zinc/32/63/17/551326317.db2.gz	YHGBZEXNXQFTAB-HNNXBMFYSA-N	1	0	355.442	2.075	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)ncc1C#N	ZINC000583573200	551371316	/nfs/dbraw/zinc/37/13/16/551371316.db2.gz	NHHFGZNGAFJIGN-UHFFFAOYSA-N	1	0	357.458	1.779	20	30		FDEDRO
CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000583807206	551404598	/nfs/dbraw/zinc/40/45/98/551404598.db2.gz	CTSABPGZCVBYII-BFYDXBDKSA-N	1	0	352.456	1.243	20	30		FDEDRO
C=CCc1cc(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)cc(OC)c1OC	ZINC000583870600	551413593	/nfs/dbraw/zinc/41/35/93/551413593.db2.gz	CNQPOIUPZIVMGA-UHFFFAOYSA-N	1	0	372.429	1.212	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC3(CCOCC3)[C@H]2C)CC1	ZINC000584343035	551483141	/nfs/dbraw/zinc/48/31/41/551483141.db2.gz	UYBCNWPFLDUKDW-MRXNPFEDSA-N	1	0	363.502	1.561	20	30		FDEDRO
N#Cc1ccc(N2C(=O)C[C@H](N3CC[C@@H](C(=O)N4CCCC4)C3)C2=O)cc1	ZINC000584369325	551487308	/nfs/dbraw/zinc/48/73/08/551487308.db2.gz	UVRFYRGPDBAVKD-WBVHZDCISA-N	1	0	366.421	1.134	20	30		FDEDRO
C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](O)Cc1ccccc1	ZINC000584470459	551502407	/nfs/dbraw/zinc/50/24/07/551502407.db2.gz	ZSIYLFIBDOJAFD-BEFAXECRSA-N	1	0	358.463	1.914	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1	ZINC000584587071	551522390	/nfs/dbraw/zinc/52/23/90/551522390.db2.gz	FMTFUUJBROZEJK-ROUUACIJSA-N	1	0	364.534	1.827	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)NCc1ccc(C#N)cc1F)c1cccs1	ZINC000585685907	551581517	/nfs/dbraw/zinc/58/15/17/551581517.db2.gz	WNAQPVNCCUBTNO-HNNXBMFYSA-N	1	0	374.441	1.794	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)C1	ZINC000585690414	551582166	/nfs/dbraw/zinc/58/21/66/551582166.db2.gz	ZRLDWIIUMANWLD-YJBOKZPZSA-N	1	0	372.469	1.208	20	30		FDEDRO
Cc1onc(CC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)c1C#N	ZINC000585818176	551611209	/nfs/dbraw/zinc/61/12/09/551611209.db2.gz	KPNNRZPJHFXFHD-SCLBCKFNSA-N	1	0	356.430	1.330	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCc2ccc(C#N)cc2F)C1	ZINC000586831428	551623735	/nfs/dbraw/zinc/62/37/35/551623735.db2.gz	PXLOFXZFZXEHNZ-HNNXBMFYSA-N	1	0	360.433	1.550	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c(F)c1	ZINC000586864071	551627471	/nfs/dbraw/zinc/62/74/71/551627471.db2.gz	JJSCWSLKNUIQOT-QGZVFWFLSA-N	1	0	372.444	1.790	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c(F)c1	ZINC000586864904	551627999	/nfs/dbraw/zinc/62/79/99/551627999.db2.gz	QKGSNQPJEZLSTJ-MRXNPFEDSA-N	1	0	358.417	1.447	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCc2ccc(C#N)cc2F)C1	ZINC000586864309	551628047	/nfs/dbraw/zinc/62/80/47/551628047.db2.gz	QQDBHOJEJUDMRT-INIZCTEOSA-N	1	0	374.460	1.798	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1)C[NH+]1CCCCC1	ZINC000587673365	551633860	/nfs/dbraw/zinc/63/38/60/551633860.db2.gz	HUVKOCQANIZZJA-HOTGVXAUSA-N	1	0	356.470	1.974	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1cccc(C#N)c1	ZINC000587703551	551634196	/nfs/dbraw/zinc/63/41/96/551634196.db2.gz	LABJDRIMJNHQAO-YJBOKZPZSA-N	1	0	354.454	1.822	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)c1cccc(C#N)c1	ZINC000587728909	551635281	/nfs/dbraw/zinc/63/52/81/551635281.db2.gz	IHQBAZSQWPTHBG-GJZGRUSLSA-N	1	0	356.470	1.924	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(C(=O)c2cc(O)cc(C#N)c2)CC1	ZINC000588025070	551641731	/nfs/dbraw/zinc/64/17/31/551641731.db2.gz	QURJRJRQJFGTLO-UHFFFAOYSA-N	1	0	361.442	1.463	20	30		FDEDRO
COC(=O)C[C@@H]1CCCCN1CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000588958793	551700819	/nfs/dbraw/zinc/70/08/19/551700819.db2.gz	PRZDNWANMPDPIW-AWEZNQCLSA-N	1	0	351.428	1.145	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3CCC[N@H+]3CCOC)cc2C1=O	ZINC000590119273	551761375	/nfs/dbraw/zinc/76/13/75/551761375.db2.gz	XCVDSRIXSGSGJK-HNNXBMFYSA-N	1	0	371.437	1.309	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H](NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1	ZINC000590223721	551765766	/nfs/dbraw/zinc/76/57/66/551765766.db2.gz	NPQCGVBTETWXQA-CYBMUJFWSA-N	1	0	356.348	1.813	20	30		FDEDRO
C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000590282858	551770270	/nfs/dbraw/zinc/77/02/70/551770270.db2.gz	XIUMWLRDYJXEAH-FZMZJTMJSA-N	1	0	366.343	1.678	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[NH+](C)C	ZINC000590792626	551817589	/nfs/dbraw/zinc/81/75/89/551817589.db2.gz	SFMTXVFQFKXFJI-ZDUSSCGKSA-N	1	0	367.409	1.750	20	30		FDEDRO
C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)cc1F	ZINC000591023224	551836561	/nfs/dbraw/zinc/83/65/61/551836561.db2.gz	PAKDWSFZPSFYKG-KRWDZBQOSA-N	1	0	366.368	1.169	20	30		FDEDRO
C[C@@H]([NH3+])[C@H]1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCO1	ZINC000591297667	551857959	/nfs/dbraw/zinc/85/79/59/551857959.db2.gz	AXHTZUGVPQDHJM-IAQYHMDHSA-N	1	0	374.832	1.977	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)ccc1OC(F)(F)F	ZINC000591302514	551858518	/nfs/dbraw/zinc/85/85/18/551858518.db2.gz	QMQKJODDLZDCGH-LLVKDONJSA-N	1	0	370.331	1.654	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)ccc1OC(F)(F)F	ZINC000591302515	551858627	/nfs/dbraw/zinc/85/86/27/551858627.db2.gz	QMQKJODDLZDCGH-NSHDSACASA-N	1	0	370.331	1.654	20	30		FDEDRO
C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C	ZINC000591306152	551859854	/nfs/dbraw/zinc/85/98/54/551859854.db2.gz	BUDMRNNAAJCQMQ-KBPBESRZSA-N	1	0	362.405	1.442	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H]3CCCC[NH2+]3)C2=O)cc1	ZINC000591357118	551865713	/nfs/dbraw/zinc/86/57/13/551865713.db2.gz	MBVUHVXGFFHDMN-DLBZAZTESA-N	1	0	355.442	1.100	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]CC3)CC2)cc1	ZINC000591423290	551869350	/nfs/dbraw/zinc/86/93/50/551869350.db2.gz	IQRLDOSGCFHFTH-MRXNPFEDSA-N	1	0	370.453	1.186	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1	ZINC000591574884	551880816	/nfs/dbraw/zinc/88/08/16/551880816.db2.gz	FXINRUWCBVONST-ZWKOTPCHSA-N	1	0	356.470	1.883	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000591742482	551905329	/nfs/dbraw/zinc/90/53/29/551905329.db2.gz	NUYOPVUAPQPYED-JKSUJKDBSA-N	1	0	363.483	1.569	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1	ZINC000591766670	551907362	/nfs/dbraw/zinc/90/73/62/551907362.db2.gz	YXQZJAMEQJYJQM-HNNXBMFYSA-N	1	0	367.881	1.069	20	30		FDEDRO
COc1cc(OC)cc([C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c2nccn2C)c1	ZINC000591967305	551921347	/nfs/dbraw/zinc/92/13/47/551921347.db2.gz	KURXZDQJKFDFTJ-IAGOWNOFSA-N	1	0	371.441	1.664	20	30		FDEDRO
CC[N@H+](CCSC)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000592200620	551958149	/nfs/dbraw/zinc/95/81/49/551958149.db2.gz	BFFBQAMEZFBBCC-UHFFFAOYSA-N	1	0	351.476	1.188	20	30		FDEDRO
CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)cc1	ZINC000592299570	551974392	/nfs/dbraw/zinc/97/43/92/551974392.db2.gz	LLXBLUZYXZLFQD-LJQANCHMSA-N	1	0	358.442	1.344	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1	ZINC000592347278	551983076	/nfs/dbraw/zinc/98/30/76/551983076.db2.gz	UMECJRJTFDFOHK-GUDVDZBRSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)OCCCO3)CC1	ZINC000592359170	551984161	/nfs/dbraw/zinc/98/41/61/551984161.db2.gz	RTWKUSGSJZTHDS-UHFFFAOYSA-N	1	0	373.453	1.943	20	30		FDEDRO
CNC(=O)[C@H](C[NH2+]Cc1cc(C#N)n(C)c1)Cc1ccc(OC)c(F)c1	ZINC000592369239	551985197	/nfs/dbraw/zinc/98/51/97/551985197.db2.gz	FFRZVIXGAWQZPQ-HNNXBMFYSA-N	1	0	358.417	1.739	20	30		FDEDRO
C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](O)Cc1ccccc1	ZINC000592431595	551994509	/nfs/dbraw/zinc/99/45/09/551994509.db2.gz	MOINKZBEOPXIJM-DNVCBOLYSA-N	1	0	358.463	1.914	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@@H](CC(C)C)N2CCOCC2)CC1	ZINC000592481743	552000041	/nfs/dbraw/zinc/00/00/41/552000041.db2.gz	PZSIETBGSNFFBX-GOSISDBHSA-N	1	0	352.523	1.683	20	30		FDEDRO
N#Cc1cnn2cc(CNC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)cnc12	ZINC000592504245	552002936	/nfs/dbraw/zinc/00/29/36/552002936.db2.gz	RDNFKYTUKQUMEX-ZWKOTPCHSA-N	1	0	354.458	1.458	20	30		FDEDRO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc2ccccc2n1CC#N	ZINC000592870397	552037073	/nfs/dbraw/zinc/03/70/73/552037073.db2.gz	COMIQIZVWPUKEJ-AWEZNQCLSA-N	1	0	353.426	1.357	20	30		FDEDRO
N#CC1(NC(=O)CN2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)CCC1	ZINC000593068474	552057810	/nfs/dbraw/zinc/05/78/10/552057810.db2.gz	ORVWFUFLNFCTGW-RBUKOAKNSA-N	1	0	368.481	1.524	20	30		FDEDRO
COCC[N@@H+]1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)C(C)(C)C1	ZINC000593101540	552062288	/nfs/dbraw/zinc/06/22/88/552062288.db2.gz	XEWSARNTMPLUED-GOSISDBHSA-N	1	0	361.486	1.535	20	30		FDEDRO
COCC[N@@H+]1CCN(C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C(C)(C)C1	ZINC000593340605	552092074	/nfs/dbraw/zinc/09/20/74/552092074.db2.gz	ZFOCPRAGOCJWAQ-UHFFFAOYSA-N	1	0	374.485	1.778	20	30		FDEDRO
Cn1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1	ZINC000593352252	552094854	/nfs/dbraw/zinc/09/48/54/552094854.db2.gz	XIELLLFHKXAOOH-UHFFFAOYSA-N	1	0	368.397	1.594	20	30		FDEDRO
CN1C[C@@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1=O	ZINC000593372507	552097005	/nfs/dbraw/zinc/09/70/05/552097005.db2.gz	KUPHYZSEHFLQQT-KRWDZBQOSA-N	1	0	355.442	1.053	20	30		FDEDRO
CC(C)C[N@H+](C)CCCNC(=O)N1CCN(c2cccc(C#N)n2)CC1	ZINC000593422454	552106141	/nfs/dbraw/zinc/10/61/41/552106141.db2.gz	MFJVEDCEWFLJJU-UHFFFAOYSA-N	1	0	358.490	1.763	20	30		FDEDRO
COCCN(CC[NH+](C)C)C(=O)Cc1ccc(Br)cc1C#N	ZINC000593449939	552109936	/nfs/dbraw/zinc/10/99/36/552109936.db2.gz	CFTFFVITSHCILF-UHFFFAOYSA-N	1	0	368.275	1.900	20	30		FDEDRO
C[NH+](C)CCN1CCN(c2c(C#N)cnc3c(F)ccc(F)c32)CC1=O	ZINC000593486262	552116023	/nfs/dbraw/zinc/11/60/23/552116023.db2.gz	SFFCBGURXMNYNH-UHFFFAOYSA-N	1	0	359.380	1.595	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCO[C@@H](C#N)C3)CC2)c1	ZINC000593512382	552119912	/nfs/dbraw/zinc/11/99/12/552119912.db2.gz	VLMIKGWBJGDILB-SFHVURJKSA-N	1	0	353.426	1.457	20	30		FDEDRO
C[C@@H](O)CN(C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@@H](C)CO	ZINC000593513280	552119940	/nfs/dbraw/zinc/11/99/40/552119940.db2.gz	HSIFUEVDVGKCBP-JKSUJKDBSA-N	1	0	374.485	1.296	20	30		FDEDRO
CN(C[C@H](O)C1CC1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593511943	552120258	/nfs/dbraw/zinc/12/02/58/552120258.db2.gz	HFBRDHUAIDLNHV-IBGZPJMESA-N	1	0	356.470	1.935	20	30		FDEDRO
C[C@@H](O)CN(C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@H](C)CO	ZINC000593513279	552120264	/nfs/dbraw/zinc/12/02/64/552120264.db2.gz	HSIFUEVDVGKCBP-HZPDHXFCSA-N	1	0	374.485	1.296	20	30		FDEDRO
CC1(C)[C@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C[C@@H]1O	ZINC000593514215	552120457	/nfs/dbraw/zinc/12/04/57/552120457.db2.gz	TZRZLVJQIMWFMA-MSOLQXFVSA-N	1	0	356.470	1.981	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCC[C@@](O)(CO)C3)CC2)c1	ZINC000593516283	552120997	/nfs/dbraw/zinc/12/09/97/552120997.db2.gz	MXQFGCTWOJDMMZ-FQEVSTJZSA-N	1	0	372.469	1.051	20	30		FDEDRO
CCC[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)cc2C(=O)OC)CC1	ZINC000593525405	552122616	/nfs/dbraw/zinc/12/26/16/552122616.db2.gz	FPHFBHWZMDNENJ-UHFFFAOYSA-N	1	0	365.455	1.498	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCC[N@@H+]1CCC[C@@H](C)C1	ZINC000593532171	552124771	/nfs/dbraw/zinc/12/47/71/552124771.db2.gz	XVLVTSYYIJQHIX-CYBMUJFWSA-N	1	0	365.455	1.355	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000593550675	552130681	/nfs/dbraw/zinc/13/06/81/552130681.db2.gz	GMVWGBNOZOYLIC-JSGCOSHPSA-N	1	0	365.455	1.448	20	30		FDEDRO
CC(C)(C#N)c1ccc(S(=O)(=O)N[C@@H]2CCCN(CCCO)C2)cc1	ZINC000593602086	552149158	/nfs/dbraw/zinc/14/91/58/552149158.db2.gz	CXRIPFRUXKSEPS-MRXNPFEDSA-N	1	0	365.499	1.613	20	30		FDEDRO
C[NH+](C)CCN1CCN(Cc2ccc(C#N)cc2C(F)(F)F)CC1=O	ZINC000593655506	552165183	/nfs/dbraw/zinc/16/51/83/552165183.db2.gz	PBJRHBSZKIWIRI-UHFFFAOYSA-N	1	0	354.376	1.783	20	30		FDEDRO
CC[C@H](C#N)C(=O)N(CCN(C)C(=O)[C@H](C#N)CC)CC[NH+]1CCCC1	ZINC000593705344	552178133	/nfs/dbraw/zinc/17/81/33/552178133.db2.gz	ZCYTYGOAEDATKV-DLBZAZTESA-N	1	0	361.490	1.469	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)NCCC3(C[NH3+])CC3)C2=O)cc1	ZINC000593709203	552179308	/nfs/dbraw/zinc/17/93/08/552179308.db2.gz	XARNJJPKORGHGZ-MRXNPFEDSA-N	1	0	355.442	1.482	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1	ZINC000593738217	552187628	/nfs/dbraw/zinc/18/76/28/552187628.db2.gz	XONHATNIGYDQQP-GVDBMIGSSA-N	1	0	363.483	1.774	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c(F)c1	ZINC000593766021	552193813	/nfs/dbraw/zinc/19/38/13/552193813.db2.gz	BGYGMEGOBDQZFK-VBQJREDUSA-N	1	0	374.416	1.381	20	30		FDEDRO
CCN1CCO[C@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000593882347	552216470	/nfs/dbraw/zinc/21/64/70/552216470.db2.gz	INFIGDPDQPEWEU-IBGZPJMESA-N	1	0	356.470	1.360	20	30		FDEDRO
C[C@@H]1CCNC(=O)[C@@H]1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593925415	552226641	/nfs/dbraw/zinc/22/66/41/552226641.db2.gz	AIOTUHJFGMPTIZ-RDTXWAMCSA-N	1	0	369.469	1.346	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1	ZINC000594022893	552240224	/nfs/dbraw/zinc/24/02/24/552240224.db2.gz	APBIOMNJXLESQW-RBUKOAKNSA-N	1	0	356.470	1.301	20	30		FDEDRO
C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000594026030	552240990	/nfs/dbraw/zinc/24/09/90/552240990.db2.gz	XMGNCGZLBLBRPD-HRCADAONSA-N	1	0	374.510	1.628	20	30		FDEDRO
CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3Cc4ccc(C#N)cc4C3)C2)CC1	ZINC000594222751	552266770	/nfs/dbraw/zinc/26/67/70/552266770.db2.gz	LGYSLXCOUNSIHM-GOSISDBHSA-N	1	0	353.470	1.752	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000594274059	552276017	/nfs/dbraw/zinc/27/60/17/552276017.db2.gz	VJCGUOWUNSGXCI-QGZVFWFLSA-N	1	0	368.481	1.503	20	30		FDEDRO
CCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC)CC1	ZINC000594314711	552285707	/nfs/dbraw/zinc/28/57/07/552285707.db2.gz	ICGRWWLGMWYNHV-UHFFFAOYSA-N	1	0	358.442	1.838	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1	ZINC000594427760	552308778	/nfs/dbraw/zinc/30/87/78/552308778.db2.gz	IZXXCSNWRAYYHG-HNNXBMFYSA-N	1	0	350.444	1.477	20	30		FDEDRO
CCc1ccc(C(=O)N2CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC2)cc1	ZINC000594429822	552308890	/nfs/dbraw/zinc/30/88/90/552308890.db2.gz	WQXAKNHOFHRCGM-GOSISDBHSA-N	1	0	356.470	1.945	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1	ZINC000594437351	552309826	/nfs/dbraw/zinc/30/98/26/552309826.db2.gz	LNZUGQHFOWZIKA-HOTGVXAUSA-N	1	0	361.421	1.959	20	30		FDEDRO
COc1cccc(OCCN2CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC2)c1	ZINC000594444648	552311769	/nfs/dbraw/zinc/31/17/69/552311769.db2.gz	BAWUSBJUMKNSIP-LJQANCHMSA-N	1	0	374.485	1.629	20	30		FDEDRO
CS(=O)(=O)N1CCc2c1cccc2NC(=O)[C@H]([NH3+])CCCCC#N	ZINC000594443670	552311839	/nfs/dbraw/zinc/31/18/39/552311839.db2.gz	RWYJPOYDTKOKNA-CYBMUJFWSA-N	1	0	350.444	1.358	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC2)c(F)c1	ZINC000594524891	552327636	/nfs/dbraw/zinc/32/76/36/552327636.db2.gz	MRQYSIPVEVLYBM-CYBMUJFWSA-N	1	0	359.327	1.419	20	30		FDEDRO
COC(=O)CN(CCN1CC[NH+](C)CC1)Cc1ccc(C(C)(C)C#N)cc1	ZINC000594606557	552340298	/nfs/dbraw/zinc/34/02/98/552340298.db2.gz	IWTGNFXYMLVTHC-UHFFFAOYSA-N	1	0	372.513	1.710	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)CN(C)CCC[NH+](C)C	ZINC000594803469	552390912	/nfs/dbraw/zinc/39/09/12/552390912.db2.gz	ODQPPNBNTKZSAY-AWEZNQCLSA-N	1	0	368.503	1.117	20	30		FDEDRO
C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000594803492	552391074	/nfs/dbraw/zinc/39/10/74/552391074.db2.gz	PDANUXFNGPTCFF-AWEZNQCLSA-N	1	0	370.494	1.389	20	30		FDEDRO
N#CC1(c2ccc(C[NH2+][C@@H]3CCN(CCN4CCOCC4)C3)cc2)CC1	ZINC000594922059	552424049	/nfs/dbraw/zinc/42/40/49/552424049.db2.gz	IAHUPOVKKHKFGO-HXUWFJFHSA-N	1	0	354.498	1.738	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1	ZINC000595148983	552468069	/nfs/dbraw/zinc/46/80/69/552468069.db2.gz	MJKYZUKWFJOHTE-INIZCTEOSA-N	1	0	353.532	1.889	20	30		FDEDRO
CN(C(=O)C(=O)N1CC[C@](C)(C#N)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000595151283	552468839	/nfs/dbraw/zinc/46/88/39/552468839.db2.gz	SREPZODVXJQYIE-WIYYLYMNSA-N	1	0	368.481	1.872	20	30		FDEDRO
C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)C1	ZINC000595162644	552473175	/nfs/dbraw/zinc/47/31/75/552473175.db2.gz	MJGBJLRHGAIJKZ-YLJYHZDGSA-N	1	0	354.454	1.481	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1	ZINC000595195092	552486002	/nfs/dbraw/zinc/48/60/02/552486002.db2.gz	ZAYLZZRVLHVXJL-LBPRGKRZSA-N	1	0	366.368	1.699	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1	ZINC000595239943	552502315	/nfs/dbraw/zinc/50/23/15/552502315.db2.gz	HTQIGFCOTFYALD-AWEZNQCLSA-N	1	0	358.417	1.874	20	30		FDEDRO
CC(C)(CCC#N)CNC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1	ZINC000595239195	552502333	/nfs/dbraw/zinc/50/23/33/552502333.db2.gz	QEEFWGMKSHFTIJ-MRXNPFEDSA-N	1	0	358.442	1.732	20	30		FDEDRO
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])c1C	ZINC000595240919	552502799	/nfs/dbraw/zinc/50/27/99/552502799.db2.gz	XQJALYUQIXNJIL-UHFFFAOYSA-N	1	0	368.441	1.495	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)ccc1C#N	ZINC000595240664	552502835	/nfs/dbraw/zinc/50/28/35/552502835.db2.gz	UZTYJPPIFVIJTN-INIZCTEOSA-N	1	0	355.442	1.438	20	30		FDEDRO
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC2CC1(C[NH3+])C2	ZINC000595247099	552504247	/nfs/dbraw/zinc/50/42/47/552504247.db2.gz	ABLLXVFWOBYVGB-WHENESEISA-N	1	0	358.467	1.969	20	30		FDEDRO
C[NH2+]CCCC(=O)N1CCC(NC(=O)NCC2(C#N)CCCCC2)CC1	ZINC000595268821	552508557	/nfs/dbraw/zinc/50/85/57/552508557.db2.gz	DDZWDCVFIISUTF-UHFFFAOYSA-N	1	0	363.506	1.750	20	30		FDEDRO
N#Cc1cc(F)ccc1CS(=O)(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC000595384011	552544065	/nfs/dbraw/zinc/54/40/65/552544065.db2.gz	HHHNQYCNDZDSGY-QGZVFWFLSA-N	1	0	367.446	1.058	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CCC[C@@H](CC#N)C2)c1	ZINC000595487290	552570915	/nfs/dbraw/zinc/57/09/15/552570915.db2.gz	GBZCFSYQMHKHFD-INIZCTEOSA-N	1	0	371.485	1.813	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[NH+]2CCC(c3nc(N)n[nH]3)CC2)cc1Cl	ZINC000595490159	552571458	/nfs/dbraw/zinc/57/14/58/552571458.db2.gz	YCEVIGQPLUGCDJ-UHFFFAOYSA-N	1	0	373.848	2.120	20	30		FDEDRO
CC(C)C[NH2+]C1(CO)CCN([C@@H](C)C(=O)Nc2ccccc2C#N)CC1	ZINC000595511042	552576181	/nfs/dbraw/zinc/57/61/81/552576181.db2.gz	HGKCQDOEEKHQIR-INIZCTEOSA-N	1	0	358.486	1.958	20	30		FDEDRO
N#Cc1sccc1N1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1	ZINC000595548916	552582780	/nfs/dbraw/zinc/58/27/80/552582780.db2.gz	BEEYORZWXHWLQM-AWEZNQCLSA-N	1	0	359.499	1.936	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@@H](Cn4ccnn4)C3)C2=O)cc1	ZINC000595605770	552591384	/nfs/dbraw/zinc/59/13/84/552591384.db2.gz	GAFLTNOJSFDPOY-AEFFLSMTSA-N	1	0	350.426	1.667	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1	ZINC000595694390	552603385	/nfs/dbraw/zinc/60/33/85/552603385.db2.gz	XMPJOYUYSYSFNN-GJZGRUSLSA-N	1	0	371.489	1.441	20	30		FDEDRO
N#Cc1c(NC(=O)CC[NH+]2CCC(O)(CO)CC2)sc2c1CCCC2	ZINC000595736011	552608587	/nfs/dbraw/zinc/60/85/87/552608587.db2.gz	LCZZIQCDWZZADN-UHFFFAOYSA-N	1	0	363.483	1.646	20	30		FDEDRO
C[C@@H](O)[C@H]1CCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000595766519	552612804	/nfs/dbraw/zinc/61/28/04/552612804.db2.gz	OMZANFDWTIHRMN-BZUAXINKSA-N	1	0	362.499	1.302	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000595808802	552618464	/nfs/dbraw/zinc/61/84/64/552618464.db2.gz	WQRPRPLDGKVYKD-LJQANCHMSA-N	1	0	355.486	1.870	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(CCS(=O)(=O)c2cccc(C#N)c2)CCO1	ZINC000595906939	552631771	/nfs/dbraw/zinc/63/17/71/552631771.db2.gz	OSZRDQWLZQUVBW-KRWDZBQOSA-N	1	0	365.499	1.375	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)[C@]3(C(F)(F)F)CC[NH2+]C3)CC2)c1	ZINC000595918439	552633282	/nfs/dbraw/zinc/63/32/82/552633282.db2.gz	CMRRIOWBSZSKAF-HNNXBMFYSA-N	1	0	353.348	1.144	20	30		FDEDRO
N#Cc1sccc1N1CCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1	ZINC000595938043	552635901	/nfs/dbraw/zinc/63/59/01/552635901.db2.gz	KJEUIVGRLHURTG-HNNXBMFYSA-N	1	0	370.482	1.703	20	30		FDEDRO
N#Cc1sccc1N1CCN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1	ZINC000595938726	552635921	/nfs/dbraw/zinc/63/59/21/552635921.db2.gz	QWPIDBYCPMAZGY-GFCCVEGCSA-N	1	0	356.455	1.382	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCN2Cc2ccccc2)nc1	ZINC000596066957	552651956	/nfs/dbraw/zinc/65/19/56/552651956.db2.gz	IDFKEXRJZAPJDX-SFHVURJKSA-N	1	0	370.478	1.591	20	30		FDEDRO
CN(C)C(=O)CN(CC[NH+](C)C)c1ncc(Br)cc1C#N	ZINC000596464276	552681642	/nfs/dbraw/zinc/68/16/42/552681642.db2.gz	VUPPHKBYTBIDHW-UHFFFAOYSA-N	1	0	354.252	1.172	20	30		FDEDRO
CN(CC1C[NH+](C)C1)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000596551755	552688354	/nfs/dbraw/zinc/68/83/54/552688354.db2.gz	LSUMOJPZKXCYMO-KRWDZBQOSA-N	1	0	355.442	1.257	20	30		FDEDRO
C[C@H](CCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[NH+](C)C	ZINC000596558211	552688875	/nfs/dbraw/zinc/68/88/75/552688875.db2.gz	YCJNOLNGRCMIDV-RHSMWYFYSA-N	1	0	357.458	1.693	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)ccc1C#N	ZINC000596569499	552689977	/nfs/dbraw/zinc/68/99/77/552689977.db2.gz	JVCDOTTZLFAYKP-HNNXBMFYSA-N	1	0	355.442	1.438	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)ccc1C#N	ZINC000596569500	552690038	/nfs/dbraw/zinc/69/00/38/552690038.db2.gz	JVCDOTTZLFAYKP-OAHLLOKOSA-N	1	0	355.442	1.438	20	30		FDEDRO
CN(CCC[NH+](C)C)CCNC(=O)NCc1ccc(C#N)c(Cl)c1	ZINC000596593223	552692500	/nfs/dbraw/zinc/69/25/00/552692500.db2.gz	BSJLFCLSQWWXFD-UHFFFAOYSA-N	1	0	351.882	1.894	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1Cl	ZINC000596594355	552692874	/nfs/dbraw/zinc/69/28/74/552692874.db2.gz	KGIURYIEXVHLTK-INIZCTEOSA-N	1	0	362.861	1.952	20	30		FDEDRO
N#CC1(CC(=O)N2CCN(Cc3cn4ccccc4n3)CC2)CCOCC1	ZINC000596690515	552702051	/nfs/dbraw/zinc/70/20/51/552702051.db2.gz	GHJLVMCPKAKHNN-UHFFFAOYSA-N	1	0	367.453	1.689	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CN1CC[C@H](c2ccccc2)NC1=O	ZINC000596925570	552724791	/nfs/dbraw/zinc/72/47/91/552724791.db2.gz	GIGGRNJNVBTXCX-GOSISDBHSA-N	1	0	371.485	1.837	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1	ZINC000597440384	552789688	/nfs/dbraw/zinc/78/96/88/552789688.db2.gz	MIDDECPYNYNXLV-OAHLLOKOSA-N	1	0	370.457	1.397	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC34CC[NH2+]CC4)CC2)c(F)c1	ZINC000597440868	552789729	/nfs/dbraw/zinc/78/97/29/552789729.db2.gz	NXYJXFVWCBJBDH-QGZVFWFLSA-N	1	0	357.433	1.671	20	30		FDEDRO
C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C1	ZINC000597574313	552806927	/nfs/dbraw/zinc/80/69/27/552806927.db2.gz	PBIFHNPLFZJUEE-AZUAARDMSA-N	1	0	356.470	1.442	20	30		FDEDRO
C[C@H](CC#N)C(=O)N(CCNC(=O)[C@@H](C)CC#N)CC[NH+]1CCCCC1	ZINC000597643771	552816994	/nfs/dbraw/zinc/81/69/94/552816994.db2.gz	RWBSWIYDXLPHTB-DLBZAZTESA-N	1	0	361.490	1.517	20	30		FDEDRO
CC[C@](C)(C#N)C(=O)N(C)CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O	ZINC000597652990	552817943	/nfs/dbraw/zinc/81/79/43/552817943.db2.gz	GYYGRRYXKCXVCC-HXUWFJFHSA-N	1	0	370.453	1.613	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CCO1	ZINC000598540327	552907195	/nfs/dbraw/zinc/90/71/95/552907195.db2.gz	NZMFVSPTPIUFSZ-BEFAXECRSA-N	1	0	367.490	1.817	20	30		FDEDRO
C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	ZINC000598684774	552925039	/nfs/dbraw/zinc/92/50/39/552925039.db2.gz	UIACGPCAAJLTLD-ZDUSSCGKSA-N	1	0	371.441	1.062	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000598715354	552927694	/nfs/dbraw/zinc/92/76/94/552927694.db2.gz	PCIXPVPVTAZWCV-INIZCTEOSA-N	1	0	365.499	1.861	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1	ZINC000598724586	552928192	/nfs/dbraw/zinc/92/81/92/552928192.db2.gz	PXKLELDFVPTUED-CQSZACIVSA-N	1	0	369.462	1.756	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N1C[C@H]2CCC[C@]2([NH3+])C1	ZINC000598727237	552928510	/nfs/dbraw/zinc/92/85/10/552928510.db2.gz	VTKJUZGBZROGOG-YGRLFVJLSA-N	1	0	370.272	1.823	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+]C[C@H]3CN(Cc4ccncc4)CCO3)n2c1	ZINC000599009461	552957636	/nfs/dbraw/zinc/95/76/36/552957636.db2.gz	YBQLYXAUPUUUPP-IBGZPJMESA-N	1	0	362.437	1.592	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)CCOCC1	ZINC000599281745	553014377	/nfs/dbraw/zinc/01/43/77/553014377.db2.gz	KHTBFPPLXDZWCP-ROUUACIJSA-N	1	0	357.454	1.621	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1	ZINC000599398329	553045838	/nfs/dbraw/zinc/04/58/38/553045838.db2.gz	VALDDWMTGGFAPY-SFHVURJKSA-N	1	0	354.454	1.650	20	30		FDEDRO
CC(C)C[NH2+]C1(CO)CCN(C[C@@H](O)CC2(C#N)CCOCC2)CC1	ZINC000599434340	553055888	/nfs/dbraw/zinc/05/58/88/553055888.db2.gz	ZENYJKMGZCRGEV-KRWDZBQOSA-N	1	0	353.507	1.130	20	30		FDEDRO
C[C@@H]1CN(CC(F)(F)F)CC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000599434439	553056177	/nfs/dbraw/zinc/05/61/77/553056177.db2.gz	AEFQPINTRXGGJJ-LSDHHAIUSA-N	1	0	363.424	1.874	20	30		FDEDRO
COc1ccc(N2CC[NH+](C[C@@H](O)CC3(C#N)CCOCC3)CC2)nc1	ZINC000599434725	553056188	/nfs/dbraw/zinc/05/61/88/553056188.db2.gz	GPLFUYPSUFBAOD-INIZCTEOSA-N	1	0	360.458	1.284	20	30		FDEDRO
COC(=O)[C@@H]1CSCC[N@H+](C[C@H](O)COc2ccccc2C#N)C1	ZINC000599437877	553056528	/nfs/dbraw/zinc/05/65/28/553056528.db2.gz	UILFKUQCLFVZIR-GJZGRUSLSA-N	1	0	350.440	1.136	20	30		FDEDRO
CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000599452564	553060484	/nfs/dbraw/zinc/06/04/84/553060484.db2.gz	SPPYOPBVXSGSPY-WFASDCNBSA-N	1	0	363.380	1.058	20	30		FDEDRO
N#Cc1ccc(Cl)cc1NC(=O)CN1CCC([NH+]2CCOCC2)CC1	ZINC000599472947	553067656	/nfs/dbraw/zinc/06/76/56/553067656.db2.gz	SLCSRGWVMNJTCW-UHFFFAOYSA-N	1	0	362.861	1.947	20	30		FDEDRO
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCCOCCC[NH3+])n1	ZINC000599603754	553101071	/nfs/dbraw/zinc/10/10/71/553101071.db2.gz	HWKYHQFCNPQRPY-UHFFFAOYSA-N	1	0	362.821	1.884	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1	ZINC000599606908	553101867	/nfs/dbraw/zinc/10/18/67/553101867.db2.gz	QETWCMQURPUFBM-DYEKYZERSA-N	1	0	350.444	1.634	20	30		FDEDRO
COC(=O)[C@@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)Cc2ccccc21	ZINC000599676767	553119780	/nfs/dbraw/zinc/11/97/80/553119780.db2.gz	GTRVDMRRTUOHBB-FUHWJXTLSA-N	1	0	358.438	1.830	20	30		FDEDRO
Cc1noc([C@@H]2OCC[C@@H]2[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1	ZINC000599682119	553120868	/nfs/dbraw/zinc/12/08/68/553120868.db2.gz	CLVXYSOYVQKTBA-YESZJQIVSA-N	1	0	367.409	1.865	20	30		FDEDRO
Cc1noc([C@@H]2OCC[C@@H]2[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)n1	ZINC000599684068	553121033	/nfs/dbraw/zinc/12/10/33/553121033.db2.gz	YXHLUEJUCUDBJJ-BHYGNILZSA-N	1	0	358.398	1.304	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1	ZINC000599898166	553170588	/nfs/dbraw/zinc/17/05/88/553170588.db2.gz	BOXNNPFRLDVYTD-JQWIXIFHSA-N	1	0	372.322	1.622	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1C#N	ZINC000599898484	553170673	/nfs/dbraw/zinc/17/06/73/553170673.db2.gz	FBYYZTIVMPWUSY-NEPJUHHUSA-N	1	0	369.347	1.186	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1	ZINC000599903502	553171586	/nfs/dbraw/zinc/17/15/86/553171586.db2.gz	GIGOWYYARDGKKL-QGZVFWFLSA-N	1	0	356.426	1.114	20	30		FDEDRO
C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N	ZINC000599903679	553171643	/nfs/dbraw/zinc/17/16/43/553171643.db2.gz	JLSYLVGHANRGSU-GXTWGEPZSA-N	1	0	365.393	1.551	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)n1	ZINC000599932064	553176269	/nfs/dbraw/zinc/17/62/69/553176269.db2.gz	KVWGFIJCGXAYQT-ZWKOTPCHSA-N	1	0	364.453	1.424	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c(F)cc1C#N	ZINC000599954230	553184237	/nfs/dbraw/zinc/18/42/37/553184237.db2.gz	BWJVGTXKYQZSLO-MEBBXXQBSA-N	1	0	360.389	1.243	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1	ZINC000600062387	553210970	/nfs/dbraw/zinc/21/09/70/553210970.db2.gz	JFBASQHWBIHFCG-OAHLLOKOSA-N	1	0	356.426	1.638	20	30		FDEDRO
CNc1cnc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cn1	ZINC000600082534	553214998	/nfs/dbraw/zinc/21/49/98/553214998.db2.gz	OZZNDABMCBNASP-UHFFFAOYSA-N	1	0	350.426	1.784	20	30		FDEDRO
C[C@@H]1CN(C(C)(C)C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C[C@@H](C)O1	ZINC000600718323	553306585	/nfs/dbraw/zinc/30/65/85/553306585.db2.gz	QORULZYXTAMOJD-ZACQAIPSSA-N	1	0	353.507	1.535	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]Cc2ccc(Cn3cncn3)cc2)CCOCC1	ZINC000600719845	553306592	/nfs/dbraw/zinc/30/65/92/553306592.db2.gz	WZGBYWXQQJKQHV-SFHVURJKSA-N	1	0	355.442	1.487	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)CC1	ZINC000600719425	553306651	/nfs/dbraw/zinc/30/66/51/553306651.db2.gz	DRBJSPHLCCFOSZ-QZTJIDSGSA-N	1	0	357.454	1.740	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]Cc2ccc(CN3CCCC3=O)cc2)CCOCC1	ZINC000600717875	553306808	/nfs/dbraw/zinc/30/68/08/553306808.db2.gz	CRXWRSIAYXHDKJ-IBGZPJMESA-N	1	0	371.481	1.970	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]CCn1c(=O)oc2ccccc21	ZINC000600720921	553307106	/nfs/dbraw/zinc/30/71/06/553307106.db2.gz	IYPTYMUTUCMZKB-OAHLLOKOSA-N	1	0	353.378	1.496	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]CCNC(=O)CC1CCCCC1	ZINC000600722230	553307158	/nfs/dbraw/zinc/30/71/58/553307158.db2.gz	HKUYQVDNFIPXEL-GOSISDBHSA-N	1	0	359.470	1.974	20	30		FDEDRO
CC(=O)Nc1cccc(OCC[NH2+]C[C@H](O)COc2ccccc2C#N)c1	ZINC000600724711	553307535	/nfs/dbraw/zinc/30/75/35/553307535.db2.gz	ZIUILHUSGNKEGD-SFHVURJKSA-N	1	0	369.421	1.925	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)CC1	ZINC000600735002	553308734	/nfs/dbraw/zinc/30/87/34/553308734.db2.gz	LVYAOQLCUJCPLN-AWEZNQCLSA-N	1	0	367.446	1.510	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]CCCn2cc(Br)cn2)CCOCC1	ZINC000600739393	553309672	/nfs/dbraw/zinc/30/96/72/553309672.db2.gz	CKVXEISXDCYRLU-CQSZACIVSA-N	1	0	371.279	1.697	20	30		FDEDRO
CS(=O)(=O)c1cccc(C[NH2+]C[C@H](O)COc2ccccc2C#N)c1	ZINC000600740101	553309737	/nfs/dbraw/zinc/30/97/37/553309737.db2.gz	SPRDCQMYXGNQFI-INIZCTEOSA-N	1	0	360.435	1.491	20	30		FDEDRO
CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]C[C@H](O)CC2(C#N)CC2)s1	ZINC000600742434	553310087	/nfs/dbraw/zinc/31/00/87/553310087.db2.gz	WCXWDPRPJZTIPK-IJLUTSLNSA-N	1	0	351.476	1.708	20	30		FDEDRO
CN1C(=O)c2ccccc2[C@H]1C[NH2+]C[C@H](O)COc1ccc(C#N)cc1	ZINC000600754764	553311662	/nfs/dbraw/zinc/31/16/62/553311662.db2.gz	HZROLPSCHOMDBP-HNAYVOBHSA-N	1	0	351.406	1.714	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1CN(c2ccc(Cl)cc2)CCO1	ZINC000600756492	553312020	/nfs/dbraw/zinc/31/20/20/553312020.db2.gz	QFXWQNVMERGZJB-QZTJIDSGSA-N	1	0	366.893	1.341	20	30		FDEDRO
N#Cc1ccccc1N1CCC[N@@H+](C[C@H](O)CC2(O)CCOCC2)CC1	ZINC000600846584	553321396	/nfs/dbraw/zinc/32/13/96/553321396.db2.gz	QCQMXIPUZVFQEV-GOSISDBHSA-N	1	0	359.470	1.363	20	30		FDEDRO
COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1CC#N	ZINC000601416311	553399326	/nfs/dbraw/zinc/39/93/26/553399326.db2.gz	OASZJFUNKABVOU-UHFFFAOYSA-N	1	0	365.499	1.874	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CC[C@H]([NH+](C)C)[C@H]1C	ZINC000601420680	553401174	/nfs/dbraw/zinc/40/11/74/553401174.db2.gz	FFZNMDJHDCTTJP-RISCZKNCSA-N	1	0	351.428	1.058	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC([N@@H+]3CCCOCC3)CC2)s1	ZINC000601439119	553405871	/nfs/dbraw/zinc/40/58/71/553405871.db2.gz	CCMBPMQTPLEQCX-UHFFFAOYSA-N	1	0	355.485	1.495	20	30		FDEDRO
C[NH+](C)C1(CNS(=O)(=O)c2cccc(Br)c2C#N)CC1	ZINC000601450308	553409296	/nfs/dbraw/zinc/40/92/96/553409296.db2.gz	QRVVRRVEKXIECD-UHFFFAOYSA-N	1	0	358.261	1.693	20	30		FDEDRO
CCC1([NH+](C)C)CCN(C(=O)C(=O)N(C)Cc2cccc(C#N)c2)CC1	ZINC000601521894	553427467	/nfs/dbraw/zinc/42/74/67/553427467.db2.gz	VZPDJLTVCKTLFM-UHFFFAOYSA-N	1	0	356.470	1.849	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC[N@@H+]1C	ZINC000601528138	553430087	/nfs/dbraw/zinc/43/00/87/553430087.db2.gz	HJBLYXAKOZONNJ-RCCFBDPRSA-N	1	0	354.454	1.506	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCCOCC(=O)OC(C)(C)C)CC1	ZINC000601570103	553437270	/nfs/dbraw/zinc/43/72/70/553437270.db2.gz	DZAGLLAPSCECLL-UHFFFAOYSA-N	1	0	355.479	1.684	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)CC2)c1C#N	ZINC000601588955	553441022	/nfs/dbraw/zinc/44/10/22/553441022.db2.gz	YMPMZLJKVIBHAV-UHFFFAOYSA-N	1	0	373.486	1.044	20	30		FDEDRO
C=C(C)C[C@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)C(=O)OC	ZINC000601782036	553475002	/nfs/dbraw/zinc/47/50/02/553475002.db2.gz	NCJMAMSEPAIEOM-SFHVURJKSA-N	1	0	359.470	1.672	20	30		FDEDRO
N#Cc1cc(F)cc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1	ZINC000602049187	553507982	/nfs/dbraw/zinc/50/79/82/553507982.db2.gz	LBSRZENFLOPQOE-AWEZNQCLSA-N	1	0	358.417	1.874	20	30		FDEDRO
Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCN(CCC#N)CC1	ZINC000602078385	553515005	/nfs/dbraw/zinc/51/50/05/553515005.db2.gz	QLRIQOIUSQBTJA-UHFFFAOYSA-N	1	0	357.458	1.053	20	30		FDEDRO
CN(C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCC[C@H]1C#N	ZINC000602078325	553515070	/nfs/dbraw/zinc/51/50/70/553515070.db2.gz	WBJKMZUKRFBECJ-WMLDXEAASA-N	1	0	358.442	1.716	20	30		FDEDRO
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCN(c2ccccc2C#N)CC1	ZINC000602088030	553516797	/nfs/dbraw/zinc/51/67/97/553516797.db2.gz	BUKSWMOJBKAQOB-UHFFFAOYSA-N	1	0	356.470	1.565	20	30		FDEDRO
CN1CCCC[C@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)C1=O	ZINC000602088109	553516869	/nfs/dbraw/zinc/51/68/69/553516869.db2.gz	KJKIERUNQAYSPN-SFHVURJKSA-N	1	0	356.470	1.707	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C	ZINC000602175517	553533827	/nfs/dbraw/zinc/53/38/27/553533827.db2.gz	YLOSRWUQZIVLLH-DLBZAZTESA-N	1	0	368.485	1.995	20	30		FDEDRO
CC(C)(C)[N@@H+]1C[C@@H](C(=O)N2CCN(CCC#N)CC2)[C@H](C(F)(F)F)C1	ZINC000602203000	553539193	/nfs/dbraw/zinc/53/91/93/553539193.db2.gz	OOYOUMGMJPNEPE-ZIAGYGMSSA-N	1	0	360.424	1.953	20	30		FDEDRO
Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NCC(C)(C)CC#N)C2)cc1	ZINC000602280739	553555927	/nfs/dbraw/zinc/55/59/27/553555927.db2.gz	ZCWJXUMTQFGKPM-QGZVFWFLSA-N	1	0	356.470	1.742	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@@H]3Cc4cncn4C3)CC2)c1	ZINC000602331789	553564833	/nfs/dbraw/zinc/56/48/33/553564833.db2.gz	JCIMSFBFUAHPFW-GOSISDBHSA-N	1	0	364.453	1.643	20	30		FDEDRO
CCCNC(=O)CN1CCC([NH2+][C@H](C)CC2(C#N)CCOCC2)CC1	ZINC000602508327	553595622	/nfs/dbraw/zinc/59/56/22/553595622.db2.gz	BCKHDLVDDDSNPV-MRXNPFEDSA-N	1	0	350.507	1.666	20	30		FDEDRO
N#Cc1cccc(NC(=O)C2CC[NH+](C[C@@H]3CCc4ncnn43)CC2)c1	ZINC000602791659	553639585	/nfs/dbraw/zinc/63/95/85/553639585.db2.gz	RGUPRPRTZQVZFS-KRWDZBQOSA-N	1	0	350.426	1.988	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(C(N)=O)cc1	ZINC000277491996	782172863	/nfs/dbraw/zinc/17/28/63/782172863.db2.gz	HNJDFCSEIFTLBK-UHFFFAOYSA-N	1	0	364.449	1.790	20	30		FDEDRO
C[C@@H]1CN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@@H](C)N1CC#N	ZINC000602852274	553651164	/nfs/dbraw/zinc/65/11/64/553651164.db2.gz	ARGYICSRWNNHLV-ZHALLVOQSA-N	1	0	357.502	1.324	20	30		FDEDRO
Cc1cc2ncn(C[C@@H](O)C[N@@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)c2cc1C	ZINC000602858600	553652487	/nfs/dbraw/zinc/65/24/87/553652487.db2.gz	TXACLVYWSJWLRE-KSZLIROESA-N	1	0	355.486	1.932	20	30		FDEDRO
CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1	ZINC000602858559	553652687	/nfs/dbraw/zinc/65/26/87/553652687.db2.gz	SYEMIODHSXMHPP-DAYGRLMNSA-N	1	0	360.458	1.303	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C[NH2+][C@@H]([C@H]2CCCO2)C2(CO)CCC2)c1	ZINC000602888728	553660736	/nfs/dbraw/zinc/66/07/36/553660736.db2.gz	BRYWSYUJFVANDJ-MJGOQNOKSA-N	1	0	357.454	1.474	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)CN1CC2(CCCC2)OC[C@H]1C[NH+](C)C	ZINC000602913609	553668157	/nfs/dbraw/zinc/66/81/57/553668157.db2.gz	PNJULZREAVSMLL-DLBZAZTESA-N	1	0	350.507	1.570	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@@](C)(CO)C1	ZINC000602964280	553681919	/nfs/dbraw/zinc/68/19/19/553681919.db2.gz	OFZIFBNKPFBPKW-KPZWWZAWSA-N	1	0	363.483	1.909	20	30		FDEDRO
COCC[NH2+]Cc1ccn(Cc2cn(Cc3cc(C#N)ccc3F)nn2)n1	ZINC000603192917	553728266	/nfs/dbraw/zinc/72/82/66/553728266.db2.gz	OHEBAOWGXSQVJE-UHFFFAOYSA-N	1	0	369.404	1.318	20	30		FDEDRO
COCC[NH2+]Cc1ccn(Cc2cn(Cc3ccc(C#N)cc3C)nn2)n1	ZINC000603233822	553738203	/nfs/dbraw/zinc/73/82/03/553738203.db2.gz	BZPYKLAJHDZVJF-UHFFFAOYSA-N	1	0	365.441	1.487	20	30		FDEDRO
COCC[NH2+]CCc1cn(Cc2ccc(C#N)cc2OC(F)F)nn1	ZINC000603235410	553738491	/nfs/dbraw/zinc/73/84/91/553738491.db2.gz	QKZRFDDZIGSNMT-UHFFFAOYSA-N	1	0	351.357	1.578	20	30		FDEDRO
C[NH+]1CCN(Cc2cn(Cc3ccc(C#N)cc3OC(F)F)nn2)CC1	ZINC000603238158	553739669	/nfs/dbraw/zinc/73/96/69/553739669.db2.gz	RTVMLDJJAKQPNV-UHFFFAOYSA-N	1	0	362.384	1.547	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)C3CC[NH+](C)CC3)cc2C1=O	ZINC000603327046	553764834	/nfs/dbraw/zinc/76/48/34/553764834.db2.gz	YYONDKZUIYXYQF-ZDUSSCGKSA-N	1	0	355.438	1.929	20	30		FDEDRO
C[NH+](C)CCCC1CCN(c2ccc(C#N)cc2CS(N)(=O)=O)CC1	ZINC000603328249	553765056	/nfs/dbraw/zinc/76/50/56/553765056.db2.gz	WECAXFJDBYPNDQ-UHFFFAOYSA-N	1	0	364.515	1.905	20	30		FDEDRO
C[C@H]1CN(c2cc(C#N)c(Br)cn2)CC[N@@H+]1CC(C)(C)O	ZINC000603362553	553772308	/nfs/dbraw/zinc/77/23/08/553772308.db2.gz	SYZULCVUWKXLNH-NSHDSACASA-N	1	0	353.264	1.997	20	30		FDEDRO
Cc1cc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)cc(C#N)c1[N+](=O)[O-]	ZINC000603421673	553784266	/nfs/dbraw/zinc/78/42/66/553784266.db2.gz	ALEAKBFGXDQLIZ-QGZVFWFLSA-N	1	0	373.457	1.983	20	30		FDEDRO
N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000603424468	553785101	/nfs/dbraw/zinc/78/51/01/553785101.db2.gz	XNXATFAUZUHJNV-INIZCTEOSA-N	1	0	359.430	1.675	20	30		FDEDRO
CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000604461087	553879082	/nfs/dbraw/zinc/87/90/82/553879082.db2.gz	GFUOXVFULFBFKH-CQSZACIVSA-N	1	0	374.489	1.986	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1	ZINC000606044521	554038155	/nfs/dbraw/zinc/03/81/55/554038155.db2.gz	XEFYVGIUHSIMHN-OAHLLOKOSA-N	1	0	359.430	1.143	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]2C(=O)NCCCC[NH+]2CCOCC2)cc1	ZINC000609108501	554338087	/nfs/dbraw/zinc/33/80/87/554338087.db2.gz	GOGJNXRQQRYTQU-IBGZPJMESA-N	1	0	356.470	1.756	20	30		FDEDRO
C[NH+]1CCN(CCCNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC1	ZINC000609161092	554344893	/nfs/dbraw/zinc/34/48/93/554344893.db2.gz	VRIWZFOKWDQHBD-LJQANCHMSA-N	1	0	355.486	1.281	20	30		FDEDRO
Cc1nc2ccnn2c(C)c1CCC(=O)N(CCC#N)CCC[NH+](C)C	ZINC000609167257	554345588	/nfs/dbraw/zinc/34/55/88/554345588.db2.gz	QGJPVMFSOKNIJL-UHFFFAOYSA-N	1	0	356.474	1.973	20	30		FDEDRO
N#CCN1CCC([NH2+][C@H](C(N)=O)c2ccc(Br)cc2)CC1	ZINC000609323708	554365255	/nfs/dbraw/zinc/36/52/55/554365255.db2.gz	SILMMBINOFHVAN-AWEZNQCLSA-N	1	0	351.248	1.553	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccc1F)C(=O)NC1CCN(CC#N)CC1	ZINC000609340482	554368949	/nfs/dbraw/zinc/36/89/49/554368949.db2.gz	XAQYDRKXCPGWAO-UHFFFAOYSA-N	1	0	361.465	1.887	20	30		FDEDRO
N#CCN1CCC(NC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CC1	ZINC000609339809	554369151	/nfs/dbraw/zinc/36/91/51/554369151.db2.gz	BUERNNQDRZAYGQ-UHFFFAOYSA-N	1	0	363.506	1.118	20	30		FDEDRO
CCC[C@H](C#N)NC(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C	ZINC000609447387	554377485	/nfs/dbraw/zinc/37/74/85/554377485.db2.gz	CWEZRFRHUITBGS-OAHLLOKOSA-N	1	0	352.442	1.986	20	30		FDEDRO
Cc1c(C(=O)N[C@H](C#N)C(C)C)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000609522588	554386642	/nfs/dbraw/zinc/38/66/42/554386642.db2.gz	OSFBQDZRZFBWCR-MRXNPFEDSA-N	1	0	352.442	1.842	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)cc1	ZINC000609552103	554392640	/nfs/dbraw/zinc/39/26/40/554392640.db2.gz	MPTQFHLSGHECBZ-MSOLQXFVSA-N	1	0	357.454	1.579	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H]([NH2+]C[C@@H]3CCCN3c3cccnn3)C2=O)cc1	ZINC000609599917	554399691	/nfs/dbraw/zinc/39/96/91/554399691.db2.gz	RYOZMWQYXZJDQZ-ZWKOTPCHSA-N	1	0	362.437	1.712	20	30		FDEDRO
C[C@@H](CNC(=O)c1cc2ccccc2n1CC#N)C[NH+]1CCN(C)CC1	ZINC000609624114	554404144	/nfs/dbraw/zinc/40/41/44/554404144.db2.gz	ZQFMQTRONILBEK-INIZCTEOSA-N	1	0	353.470	1.778	20	30		FDEDRO
C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NCCCCC#N)cc1	ZINC000609945309	554441446	/nfs/dbraw/zinc/44/14/46/554441446.db2.gz	CZZVYSJCRYODAX-UHFFFAOYSA-N	1	0	359.430	1.325	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC[N@@H+]1C	ZINC000610208986	554473614	/nfs/dbraw/zinc/47/36/14/554473614.db2.gz	MEQVFCUKOKIBBM-ZBFHGGJFSA-N	1	0	363.483	1.977	20	30		FDEDRO
C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)C(=O)N1CCN(c2ncccn2)CC1	ZINC000610346223	554494195	/nfs/dbraw/zinc/49/41/95/554494195.db2.gz	PBIAJSCGQTZQNL-HZPDHXFCSA-N	1	0	364.453	1.736	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)CN2CC[NH+](C[C@H]3CCOC3)CC2)cc1	ZINC000610538528	554525552	/nfs/dbraw/zinc/52/55/52/554525552.db2.gz	UEOSVGVTEOSREC-MOPGFXCFSA-N	1	0	359.470	1.146	20	30		FDEDRO
N#Cc1ccccc1OC1CCC(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1	ZINC000611205691	554614947	/nfs/dbraw/zinc/61/49/47/554614947.db2.gz	RXLCFMQRWAIUJR-CTWPCTMYSA-N	1	0	368.481	1.754	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C)c2cccc(C#N)c2)CC1	ZINC000611389468	554630598	/nfs/dbraw/zinc/63/05/98/554630598.db2.gz	WURMAOZQZVLSCL-VQIMIIECSA-N	1	0	353.470	1.901	20	30		FDEDRO
COC(=O)c1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)on1	ZINC000611489659	554637559	/nfs/dbraw/zinc/63/75/59/554637559.db2.gz	JNGXVGFTGNPBAX-UHFFFAOYSA-N	1	0	356.382	1.537	20	30		FDEDRO
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCN(c2cc[nH+]cc2)CC1	ZINC000611551605	554645402	/nfs/dbraw/zinc/64/54/02/554645402.db2.gz	OBSWAHRRWAEONU-LJQANCHMSA-N	1	0	358.442	1.992	20	30		FDEDRO
C=CCCCCNC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1	ZINC000612222920	554751426	/nfs/dbraw/zinc/75/14/26/554751426.db2.gz	FGMPBPPYOKIZLT-UHFFFAOYSA-N	1	0	358.486	1.882	20	30		FDEDRO
C=CC(C)(C)CNC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1	ZINC000612908186	554857395	/nfs/dbraw/zinc/85/73/95/554857395.db2.gz	KQAMJKLCZXAXLI-OAHLLOKOSA-N	1	0	360.506	1.921	20	30		FDEDRO
CC[NH+]1CCC(CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1	ZINC000613156906	554893653	/nfs/dbraw/zinc/89/36/53/554893653.db2.gz	XXDVAKXUOQJLRC-UHFFFAOYSA-N	1	0	353.430	1.992	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1	ZINC000613307025	554911164	/nfs/dbraw/zinc/91/11/64/554911164.db2.gz	YNBZISUFCCIDPP-HNNXBMFYSA-N	1	0	356.426	1.592	20	30		FDEDRO
C=CCn1cc(C(=O)N(C[C@H](O)CC(C)(C)C)C2CC[NH+](C)CC2)nn1	ZINC000614443751	555053478	/nfs/dbraw/zinc/05/34/78/555053478.db2.gz	ZEYBLNCGFIJHIZ-MRXNPFEDSA-N	1	0	363.506	1.798	20	30		FDEDRO
Cc1nn(-c2ccccc2)c(CN2CC[N@H+](CCO)C(C)(C)C2)c1C#N	ZINC000614923658	555138797	/nfs/dbraw/zinc/13/87/97/555138797.db2.gz	PUSDHRMAASZJEK-UHFFFAOYSA-N	1	0	353.470	1.941	20	30		FDEDRO
CCO[C@@H]1C[C@@](CO)([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1(C)C	ZINC000614926321	555138872	/nfs/dbraw/zinc/13/88/72/555138872.db2.gz	GSGMKTJWPNJRCR-HQRMLTQVSA-N	1	0	362.470	1.648	20	30		FDEDRO
C=C[C@H](O)C(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1	ZINC000616180119	555279020	/nfs/dbraw/zinc/27/90/20/555279020.db2.gz	IOPZLMSHGVKWBL-SFHVURJKSA-N	1	0	363.889	2.000	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(C(=O)N[C@@H]3CCc4cc(C#N)ccc43)CC2)C1	ZINC000618842661	555687768	/nfs/dbraw/zinc/68/77/68/555687768.db2.gz	OYSUOBJXNVALFG-AZUAARDMSA-N	1	0	367.497	1.967	20	30		FDEDRO
CC1(C)CN(Cc2cn(CCC#N)nc2-c2ccncc2)CC[N@@H+]1CCO	ZINC000619074592	555721504	/nfs/dbraw/zinc/72/15/04/555721504.db2.gz	UNINEKYKLGLIAT-UHFFFAOYSA-N	1	0	368.485	1.747	20	30		FDEDRO
C[C@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CC2(CCOCC2)O1	ZINC000619175173	555733172	/nfs/dbraw/zinc/73/31/72/555733172.db2.gz	FORIYDUVFHVYGC-WMZOPIPTSA-N	1	0	360.454	1.762	20	30		FDEDRO
C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCCC(=O)Nc2ccccc2C#N)C1	ZINC000619255418	555745401	/nfs/dbraw/zinc/74/54/01/555745401.db2.gz	XYRFKSSOXZKBJK-FQEVSTJZSA-N	1	0	372.469	1.582	20	30		FDEDRO
C[NH+](C)C[C@]1(O)CCCN(C(=O)CCCC(=O)Nc2ccccc2C#N)C1	ZINC000619255419	555745494	/nfs/dbraw/zinc/74/54/94/555745494.db2.gz	XYRFKSSOXZKBJK-HXUWFJFHSA-N	1	0	372.469	1.582	20	30		FDEDRO
C=C(C)Cn1c(COC)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1	ZINC000619829929	555841566	/nfs/dbraw/zinc/84/15/66/555841566.db2.gz	HGCMTPXJKMSSHV-KRWDZBQOSA-N	1	0	362.522	1.605	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)CC1	ZINC000623635060	556459808	/nfs/dbraw/zinc/45/98/08/556459808.db2.gz	RSGPQCVKMIMUSM-IBGZPJMESA-N	1	0	373.501	1.232	20	30		FDEDRO
C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000624837129	556651883	/nfs/dbraw/zinc/65/18/83/556651883.db2.gz	ODALDEKSCMOMML-BRWVUGGUSA-N	1	0	361.490	1.863	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CCN1CCC[C@H]([NH+]2CCCC2)C1	ZINC000625086375	556710088	/nfs/dbraw/zinc/71/00/88/556710088.db2.gz	XZPCOMHQDZLGET-KRWDZBQOSA-N	1	0	351.450	1.846	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCN(C)CC#CCN2C(=O)c3ccccc3C2=O)C[C@H](C)O1	ZINC000625379703	556788620	/nfs/dbraw/zinc/78/86/20/556788620.db2.gz	BLKFURQEKMNSRO-CALCHBBNSA-N	1	0	369.465	1.327	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC([NH2+]CCO)CC1	ZINC000631864451	558055268	/nfs/dbraw/zinc/05/52/68/558055268.db2.gz	NYQWACHUWIXNAV-OAHLLOKOSA-N	1	0	351.516	1.698	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C[C@H]1C[NH3+]	ZINC000633025316	558244195	/nfs/dbraw/zinc/24/41/95/558244195.db2.gz	QQWOVRACFOTCKS-NVXWUHKLSA-N	1	0	362.433	1.473	20	30		FDEDRO
C=CCn1cc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)nn1	ZINC000633319249	558288344	/nfs/dbraw/zinc/28/83/44/558288344.db2.gz	UGJFPIQGRRNZTB-QGZVFWFLSA-N	1	0	354.458	1.846	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1	ZINC000271861149	674389978	/nfs/dbraw/zinc/38/99/78/674389978.db2.gz	UFVSWNNKFLTILI-GJZGRUSLSA-N	1	0	365.499	1.834	20	30		FDEDRO
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)c1C	ZINC000436626477	568102490	/nfs/dbraw/zinc/10/24/90/568102490.db2.gz	JHEMKLDLMGHNIC-LBPRGKRZSA-N	1	0	368.441	1.366	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(CC)([NH+]2CCCC2)CC1	ZINC000636980390	568290275	/nfs/dbraw/zinc/29/02/75/568290275.db2.gz	PSIZEXMFHGYYJL-IRXDYDNUSA-N	1	0	363.502	1.561	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@@H](C)Oc1ccc(-c2nn[nH]n2)cc1	ZINC000821182557	607322643	/nfs/dbraw/zinc/32/26/43/607322643.db2.gz	WPHBOWIAEIAZHR-LSDHHAIUSA-N	1	0	371.441	1.911	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000735399611	598361785	/nfs/dbraw/zinc/36/17/85/598361785.db2.gz	RQACBJNBBAWQRV-CQSZACIVSA-N	1	0	370.457	1.791	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CCCC(C)(C)C#N	ZINC000820789191	606780534	/nfs/dbraw/zinc/78/05/34/606780534.db2.gz	XLAGOSJKHGFEII-CYBMUJFWSA-N	1	0	355.450	1.497	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1cccc(-c2nn[nH]n2)c1	ZINC000824564431	608485767	/nfs/dbraw/zinc/48/57/67/608485767.db2.gz	TXBHAKIMLXKEGM-CYBMUJFWSA-N	1	0	361.409	1.705	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1cccc(C#N)c1	ZINC000824568804	608489700	/nfs/dbraw/zinc/48/97/00/608489700.db2.gz	DBGIIFXMLXECBG-CXAGYDPISA-N	1	0	364.409	1.829	20	30		FDEDRO
C=C(C)CC[NH+]1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000274802444	674596346	/nfs/dbraw/zinc/59/63/46/674596346.db2.gz	VQHKHBATXZOKCH-UHFFFAOYSA-N	1	0	351.472	1.951	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCC1	ZINC000275962543	674674137	/nfs/dbraw/zinc/67/41/37/674674137.db2.gz	KTDHRONCUUYKDT-UHFFFAOYSA-N	1	0	364.471	1.093	20	30		FDEDRO
C=CCOc1c(Br)cc(C[NH2+]C[C@@H](O)CO)cc1OCC	ZINC000276764140	674764136	/nfs/dbraw/zinc/76/41/36/674764136.db2.gz	NNTXQOBMFNISHS-GFCCVEGCSA-N	1	0	360.248	1.855	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ncc(CC)s2)CC1	ZINC000286812847	675907112	/nfs/dbraw/zinc/90/71/12/675907112.db2.gz	VRPRDRRWESDNCM-UHFFFAOYSA-N	1	0	350.488	1.431	20	30		FDEDRO
CC(C)COC[C@H](O)CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1	ZINC000104170447	671594671	/nfs/dbraw/zinc/59/46/71/671594671.db2.gz	JGLPLQCTLIFCBJ-QGZVFWFLSA-N	1	0	352.454	1.296	20	30		FDEDRO
C[NH+](C)CCNC(=O)CC1S/C(=N/c2ccccc2Cl)NC1=O	ZINC000106898560	671609003	/nfs/dbraw/zinc/60/90/03/671609003.db2.gz	GRHUPKLTWVRHBY-LBPRGKRZSA-N	1	0	354.863	1.627	20	30		FDEDRO
C#CCCOc1ccc(C[NH2+]CCNS(=O)(=O)c2cccnc2)cc1	ZINC000120495647	671690794	/nfs/dbraw/zinc/69/07/94/671690794.db2.gz	YYEHAWYXAWRCEQ-UHFFFAOYSA-N	1	0	359.451	1.552	20	30		FDEDRO
CC[C@@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1	ZINC000129419589	671786004	/nfs/dbraw/zinc/78/60/04/671786004.db2.gz	OCJFSXAVJZUEFN-MPUISCFQSA-N	1	0	366.487	1.955	20	30		FDEDRO
CCc1cnc(CNC(N[C@@H]2CCCN(c3cnn(C)c3)C2)=[NH+]C)s1	ZINC000130649943	671796343	/nfs/dbraw/zinc/79/63/43/671796343.db2.gz	KVZWZSAWXVOMAK-CYBMUJFWSA-N	1	0	361.519	1.773	20	30		FDEDRO
NC(=NOCC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1	ZINC000131282967	671802382	/nfs/dbraw/zinc/80/23/82/671802382.db2.gz	DOWNYLVOZOJVLB-UHFFFAOYSA-N	1	0	350.850	1.720	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)Nc2ccc(F)cc2OCC#N)CC1	ZINC000135336429	671836184	/nfs/dbraw/zinc/83/61/84/671836184.db2.gz	SRTWKULVJWOXET-UHFFFAOYSA-N	1	0	350.394	1.960	20	30		FDEDRO
CCS(=O)(=O)CCNC(=[NH+]C)N1CCN(c2cc(F)ccc2F)CC1	ZINC000156171733	671951683	/nfs/dbraw/zinc/95/16/83/671951683.db2.gz	CRWPIOXRNQXZQU-UHFFFAOYSA-N	1	0	374.457	1.097	20	30		FDEDRO
C[NH+]=C(NCc1ccnc(N2CC[NH+](C)CC2)c1)NC[C@@H]1CCCS1	ZINC000157443507	671968611	/nfs/dbraw/zinc/96/86/11/671968611.db2.gz	XTYMNTBSEVUUIZ-INIZCTEOSA-N	1	0	362.547	1.394	20	30		FDEDRO
CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000163825177	672026120	/nfs/dbraw/zinc/02/61/20/672026120.db2.gz	JTCASVAWMPCXMN-LBPRGKRZSA-N	1	0	350.394	1.513	20	30		FDEDRO
CCNS(=O)(=O)c1ccc(CNC(NCc2ccco2)=[NH+]C)cc1	ZINC000177899003	672133208	/nfs/dbraw/zinc/13/32/08/672133208.db2.gz	KGGXYFSICGFPHR-UHFFFAOYSA-N	1	0	350.444	1.443	20	30		FDEDRO
C#CCCS(=O)(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000288351806	675996036	/nfs/dbraw/zinc/99/60/36/675996036.db2.gz	MVYAQSDHZGAIKH-CQSZACIVSA-N	1	0	353.463	1.581	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NC[C@H]3CCC(C)(C)O3)=[NH+]C[C@H]2C1	ZINC000186887073	672276908	/nfs/dbraw/zinc/27/69/08/672276908.db2.gz	GWHCSGDFMQTBSU-UONOGXRCSA-N	1	0	352.479	1.825	20	30		FDEDRO
C[NH+]=C(NCCc1ccccc1OC(F)F)NCCN1CCOCC1	ZINC000189574493	672310652	/nfs/dbraw/zinc/31/06/52/672310652.db2.gz	FFAJVUPZIPKLLA-UHFFFAOYSA-N	1	0	356.417	1.328	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000190735589	672331673	/nfs/dbraw/zinc/33/16/73/672331673.db2.gz	CWKRCPGSSPCXRH-LSDHHAIUSA-N	1	0	352.479	1.984	20	30		FDEDRO
[NH2+]=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)NC[C@H]1CCCO1	ZINC000195522769	672408220	/nfs/dbraw/zinc/40/82/20/672408220.db2.gz	NLFWILJOCBPRQQ-IAGOWNOFSA-N	1	0	350.438	1.282	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)ccc1F	ZINC000236617991	672417449	/nfs/dbraw/zinc/41/74/49/672417449.db2.gz	BOTPCRLBNBYGPI-OAHLLOKOSA-N	1	0	371.478	1.735	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])ccc1F	ZINC000237554512	672423695	/nfs/dbraw/zinc/42/36/95/672423695.db2.gz	CJUZGKABZJRKGO-SWLSCSKDSA-N	1	0	369.462	1.632	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(N[C@@H]3C[C@@H]4OCCC[C@@H]34)=[NH+]C[C@@H]2C1	ZINC000249942158	672585214	/nfs/dbraw/zinc/58/52/14/672585214.db2.gz	TWEDGZKJQXFWOB-BARDWOONSA-N	1	0	350.463	1.434	20	30		FDEDRO
CCc1nsc(N2CCN(C(NCCn3ccnc3C)=[NH+]C)CC2)n1	ZINC000261717138	672657436	/nfs/dbraw/zinc/65/74/36/672657436.db2.gz	HXKHFVCHWCXKEF-UHFFFAOYSA-N	1	0	362.507	1.003	20	30		FDEDRO
CCc1nsc(N2CCN(C(NCC3(O)CCCCC3)=[NH+]C)CC2)n1	ZINC000261716171	672657585	/nfs/dbraw/zinc/65/75/85/672657585.db2.gz	HWLZWBMSVYGRBV-UHFFFAOYSA-N	1	0	366.535	1.493	20	30		FDEDRO
CC[NH+]=C(NCCN1C(=O)CNC1=O)N1CCSC2(CCCCC2)C1	ZINC000261737398	672661476	/nfs/dbraw/zinc/66/14/76/672661476.db2.gz	KFZLRMYUMZABSZ-UHFFFAOYSA-N	1	0	367.519	1.255	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCSC2(CCCCC2)C1	ZINC000261795758	672673274	/nfs/dbraw/zinc/67/32/74/672673274.db2.gz	GMHPLBJBFYNOLT-CQSZACIVSA-N	1	0	359.561	1.748	20	30		FDEDRO
CC[NH+]=C(NCc1cn2ccccc2n1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261936591	672697226	/nfs/dbraw/zinc/69/72/26/672697226.db2.gz	COEATZPFIGLSLG-UHFFFAOYSA-N	1	0	363.487	1.309	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])N[C@@H](C)CCCC(C)C)cc1S(N)(=O)=O	ZINC000288744159	676048516	/nfs/dbraw/zinc/04/85/16/676048516.db2.gz	PSFMCHXWOFYGIM-ZDUSSCGKSA-N	1	0	370.519	1.962	20	30		FDEDRO
CC[NH+]=C(NC[C@H]1CCN(S(C)(=O)=O)C1)N1CCC(CC)(CC)C1	ZINC000261947083	672699585	/nfs/dbraw/zinc/69/95/85/672699585.db2.gz	GHERWGATUMJHTK-OAHLLOKOSA-N	1	0	358.552	1.746	20	30		FDEDRO
C[NH+]=C(NCC1(c2cccc(F)c2)CC1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261952610	672700511	/nfs/dbraw/zinc/70/05/11/672700511.db2.gz	HTJAKWZLUHKPSJ-UHFFFAOYSA-N	1	0	367.490	1.942	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(O)c(F)c1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261953673	672701068	/nfs/dbraw/zinc/70/10/68/672701068.db2.gz	IECSLFDETNGYDD-UHFFFAOYSA-N	1	0	357.451	1.506	20	30		FDEDRO
CC[NH+]=C(NCC[S@@](=O)C(C)(C)C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000262008391	672710964	/nfs/dbraw/zinc/71/09/64/672710964.db2.gz	WBIUYHNPKHCHJV-JOCHJYFZSA-N	1	0	365.565	1.008	20	30		FDEDRO
C[C@@H]1CCN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C[C@@H]2CCCO2)C[C@@H]1C	ZINC000262334397	672772045	/nfs/dbraw/zinc/77/20/45/672772045.db2.gz	BOGJISLTVKZHBP-QZWWFDLISA-N	1	0	371.547	1.524	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@H]1CCN(c2ncccc2Cl)C1)=[NH+]C1CC1	ZINC000262339253	672773283	/nfs/dbraw/zinc/77/32/83/672773283.db2.gz	WQWHGJMXQNKGCJ-ZDUSSCGKSA-N	1	0	364.881	1.100	20	30		FDEDRO
Cn1ccc(CNC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)c1	ZINC000262342652	672773972	/nfs/dbraw/zinc/77/39/72/672773972.db2.gz	CUNHXZULEIILIW-OAHLLOKOSA-N	1	0	352.504	1.438	20	30		FDEDRO
CO[C@]1(C)C[C@H](NC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C(C)C)C1(C)C	ZINC000262352791	672775266	/nfs/dbraw/zinc/77/52/66/672775266.db2.gz	FKJBVMQSDKNREP-GRDNDAEWSA-N	1	0	359.536	1.568	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCc2ncsc2C1	ZINC000262372968	672778512	/nfs/dbraw/zinc/77/85/12/672778512.db2.gz	IZHHEJRGYDMOJK-LBPRGKRZSA-N	1	0	356.517	1.290	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1C[C@H](OCC)C12CCCC2)N[C@@H]1CCC(=O)N(C)C1	ZINC000262392010	672781984	/nfs/dbraw/zinc/78/19/84/672781984.db2.gz	MKDJFIHNYDVLIK-OAGGEKHMSA-N	1	0	350.507	1.900	20	30		FDEDRO
CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C	ZINC000262395338	672782699	/nfs/dbraw/zinc/78/26/99/672782699.db2.gz	MWPNJHOTHFEGAP-CAOSSQGBSA-N	1	0	371.547	1.570	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(NC[C@@H]2CCCCO2)=[NH+]C2CCCC2)C1	ZINC000262415632	672785761	/nfs/dbraw/zinc/78/57/61/672785761.db2.gz	QCXJREIZAVSISJ-ZBFHGGJFSA-N	1	0	357.520	1.468	20	30		FDEDRO
C[NH+]=C(NCCN1CCCS1(=O)=O)N1CC[C@@H](Cc2ccccc2)C1	ZINC000262428547	672787955	/nfs/dbraw/zinc/78/79/55/672787955.db2.gz	DHSZYGDNAKUITR-KRWDZBQOSA-N	1	0	364.515	1.162	20	30		FDEDRO
C[NH+]=C(NCCN1CCCS1(=O)=O)N1CC[C@@H](c2ccccc2C)C1	ZINC000262441936	672790088	/nfs/dbraw/zinc/79/00/88/672790088.db2.gz	HTGYHIOOSCHTRF-MRXNPFEDSA-N	1	0	364.515	1.395	20	30		FDEDRO
[NH2+]=C(NCC(=O)NCC(F)F)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000262467478	672794832	/nfs/dbraw/zinc/79/48/32/672794832.db2.gz	NYSDNYNROJJMJX-UHFFFAOYSA-N	1	0	359.808	1.158	20	30		FDEDRO
C[NH+]=C(NCCNS(C)(=O)=O)N(C)Cc1ccc(Cl)c(Cl)c1	ZINC000262506707	672800513	/nfs/dbraw/zinc/80/05/13/672800513.db2.gz	AHRLYBHRHSIIDB-UHFFFAOYSA-N	1	0	367.302	1.550	20	30		FDEDRO
CO[C@]1(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)CCOC1	ZINC000262645698	672824769	/nfs/dbraw/zinc/82/47/69/672824769.db2.gz	IKLLODCTBBJNTQ-KRWDZBQOSA-N	1	0	352.866	1.582	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCCO[C@H]1C(C)(C)C)N1CCN(C2CC2)C(=O)C1	ZINC000262662452	672827168	/nfs/dbraw/zinc/82/71/68/672827168.db2.gz	MBHKWOADOAALRO-WMLDXEAASA-N	1	0	350.507	1.710	20	30		FDEDRO
CO[C@@H](C)c1nc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)cs1	ZINC000262685491	672830326	/nfs/dbraw/zinc/83/03/26/672830326.db2.gz	AIGAUJBNVZLVSJ-LBPRGKRZSA-N	1	0	361.475	1.277	20	30		FDEDRO
C[NH+]=C(NC[C@@H](OC)c1ccc(Cl)cc1)N[C@@H]1CCc2ncnn2C1	ZINC000262781655	672848732	/nfs/dbraw/zinc/84/87/32/672848732.db2.gz	LCIHMLOMAHSKKK-HUUCEWRRSA-N	1	0	362.865	1.799	20	30		FDEDRO
CCN1CCC[C@@H]1CNC(=[NH2+])NCCCS(=O)(=O)Cc1ccccc1	ZINC000264082386	672900696	/nfs/dbraw/zinc/90/06/96/672900696.db2.gz	HXEUODLNNJHKBT-QGZVFWFLSA-N	1	0	366.531	1.380	20	30		FDEDRO
CCS(=O)(=O)N(C)C1CC[NH+](Cc2ccc(OCC#N)cc2)CC1	ZINC000264504557	672915171	/nfs/dbraw/zinc/91/51/71/672915171.db2.gz	OPULOUKQNWXKAB-UHFFFAOYSA-N	1	0	351.472	1.835	20	30		FDEDRO
C#CCSCCNC(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C	ZINC000265792563	672991286	/nfs/dbraw/zinc/99/12/86/672991286.db2.gz	OKJMITQXMKHMMJ-UHFFFAOYSA-N	1	0	363.483	1.357	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1	ZINC000289126767	676096788	/nfs/dbraw/zinc/09/67/88/676096788.db2.gz	DROBKTSMRSUXFE-GOSISDBHSA-N	1	0	363.483	1.367	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)cc1	ZINC000289392571	676128560	/nfs/dbraw/zinc/12/85/60/676128560.db2.gz	DQYOAIUNFQZWAX-UKRRQHHQSA-N	1	0	355.360	1.982	20	30		FDEDRO
C[NH+](C)CCCC1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1	ZINC000289657438	676163631	/nfs/dbraw/zinc/16/36/31/676163631.db2.gz	CRIVREJMMRBSRK-UHFFFAOYSA-N	1	0	364.515	1.781	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000281813954	675563473	/nfs/dbraw/zinc/56/34/73/675563473.db2.gz	SAJNJUUHRHWBEX-DOTOQJQBSA-N	1	0	350.488	1.529	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](CC[NH3+])C2)ccc1F	ZINC000282083176	675595678	/nfs/dbraw/zinc/59/56/78/675595678.db2.gz	XUNKPLHLZKEEKM-CYBMUJFWSA-N	1	0	369.462	1.491	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+](CC)CCOCCO)c(OC)c1	ZINC000282133153	675602973	/nfs/dbraw/zinc/60/29/73/675602973.db2.gz	RLBPXOAQGCBHIQ-QGZVFWFLSA-N	1	0	353.459	1.494	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NCC1CC[NH+](Cc2cccs2)CC1	ZINC000282785768	675640686	/nfs/dbraw/zinc/64/06/86/675640686.db2.gz	XHIXHAFQGLNIPQ-AWEZNQCLSA-N	1	0	370.544	1.886	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1	ZINC000282967615	675644609	/nfs/dbraw/zinc/64/46/09/675644609.db2.gz	WLASPYHWEDGHKP-DOTOQJQBSA-N	1	0	350.488	1.749	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N(C)Cc1nccs1)C(C)C	ZINC000283656155	675659810	/nfs/dbraw/zinc/65/98/10/675659810.db2.gz	BAOCBNFOWBUBKW-OAHLLOKOSA-N	1	0	364.515	1.916	20	30		FDEDRO
C[C@H]1C[NH+]=C(NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)N1	ZINC000284923859	675765640	/nfs/dbraw/zinc/76/56/40/675765640.db2.gz	CAKRCFWRVPDSDT-VIFPVBQESA-N	1	0	351.350	1.296	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1sc(C)c(C)c1C(=O)OC	ZINC000293297343	676343596	/nfs/dbraw/zinc/34/35/96/676343596.db2.gz	HHQTXEQZWDMMMC-UHFFFAOYSA-N	1	0	365.455	1.161	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[NH+]([C@@H](C)CC)CC2)c1	ZINC000296876071	676421601	/nfs/dbraw/zinc/42/16/01/676421601.db2.gz	IXZYUMXFJVRWKO-HNNXBMFYSA-N	1	0	363.483	1.154	20	30		FDEDRO
C#CCN(C)CCCNC(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1	ZINC000297530192	676426509	/nfs/dbraw/zinc/42/65/09/676426509.db2.gz	ZYWDBWVRTGBOOB-INIZCTEOSA-N	1	0	351.472	1.027	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1csc(-c2ccccc2)n1	ZINC000303770107	676542796	/nfs/dbraw/zinc/54/27/96/676542796.db2.gz	BPHJIRSSIJCBOK-UHFFFAOYSA-N	1	0	359.499	1.807	20	30		FDEDRO
COC(=O)CCCCCNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000303789497	676543077	/nfs/dbraw/zinc/54/30/77/676543077.db2.gz	VKDCCOBKWOUEEJ-UHFFFAOYSA-N	1	0	356.467	1.587	20	30		FDEDRO
[NH2+]=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)NC1CCCCC1	ZINC000304494093	676544165	/nfs/dbraw/zinc/54/41/65/676544165.db2.gz	OKBSMIRNBYNWBD-UHFFFAOYSA-N	1	0	370.441	1.785	20	30		FDEDRO
[NH2+]=C(NCC1CCC1)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1	ZINC000304753090	676544328	/nfs/dbraw/zinc/54/43/28/676544328.db2.gz	KVVFQCFYHIUHDJ-UHFFFAOYSA-N	1	0	356.414	1.252	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H]2CCCO[C@H]2C(C)C)CC1	ZINC000304764077	676544611	/nfs/dbraw/zinc/54/46/11/676544611.db2.gz	XOAIGLQQUZKBGH-HOCLYGCPSA-N	1	0	354.495	1.963	20	30		FDEDRO
N#Cc1cncc(S(=O)(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1	ZINC000311088714	676548146	/nfs/dbraw/zinc/54/81/46/676548146.db2.gz	YGBBACPGJFNQET-MRXNPFEDSA-N	1	0	356.451	1.754	20	30		FDEDRO
C[N@H+](CC(=O)NC[C@@H]1COc2ccccc2O1)CC1(O)CCOCC1	ZINC000328600039	676599562	/nfs/dbraw/zinc/59/95/62/676599562.db2.gz	CRSHLBCPNIHPLJ-CQSZACIVSA-N	1	0	350.415	1.256	20	30		FDEDRO
Cn1cc(-c2ncc(C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)s2)cn1	ZINC000328693130	676602640	/nfs/dbraw/zinc/60/26/40/676602640.db2.gz	FMZLTNMBVHOLPI-UHFFFAOYSA-N	1	0	362.503	1.874	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H](S(C)(=O)=O)CC1	ZINC000328703066	676603110	/nfs/dbraw/zinc/60/31/10/676603110.db2.gz	JXTZTDFBBMLRKT-CVEARBPZSA-N	1	0	359.536	1.920	20	30		FDEDRO
CS(=O)(=O)[C@@H]1CCCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1	ZINC000328721652	676604162	/nfs/dbraw/zinc/60/41/62/676604162.db2.gz	RKEBHIIKGSGYGM-MRXNPFEDSA-N	1	0	357.520	1.674	20	30		FDEDRO
Cc1nc(CCNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cs1	ZINC000328751940	676605347	/nfs/dbraw/zinc/60/53/47/676605347.db2.gz	RTTHROLJULOSNZ-OAHLLOKOSA-N	1	0	352.504	1.952	20	30		FDEDRO
C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@H]3CC(=O)N(C(C)(C)C)C3)C2)CC1	ZINC000328776486	676606321	/nfs/dbraw/zinc/60/63/21/676606321.db2.gz	CQICELRRYWMYFI-CVEARBPZSA-N	1	0	350.507	1.964	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2OCCN(CC(=O)NC(=O)NC3CCCCC3)[C@H]2C1	ZINC000328799860	676607420	/nfs/dbraw/zinc/60/74/20/676607420.db2.gz	XZGDSYSVJUABTQ-JKSUJKDBSA-N	1	0	352.479	1.985	20	30		FDEDRO
Cc1csc(NC(=O)CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)n1	ZINC000328919704	676612104	/nfs/dbraw/zinc/61/21/04/676612104.db2.gz	BQAYRAXTNHYYJU-HIFRSBDPSA-N	1	0	351.520	1.997	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@]1(N2CCOCC2)CCSC1	ZINC000328998768	676615587	/nfs/dbraw/zinc/61/55/87/676615587.db2.gz	HCLFCTXBZNLYEL-NVXWUHKLSA-N	1	0	357.520	1.119	20	30		FDEDRO
O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1	ZINC000329003866	676615765	/nfs/dbraw/zinc/61/57/65/676615765.db2.gz	WSPCEAJJZRLIKP-IRXDYDNUSA-N	1	0	350.484	1.942	20	30		FDEDRO
C[C@H](NC(=O)N1CCC[C@](O)(C(N)=O)C1)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000329058696	676617971	/nfs/dbraw/zinc/61/79/71/676617971.db2.gz	MWXFZGGSXMMGAW-SUNYJGFJSA-N	1	0	352.479	1.916	20	30		FDEDRO
Cc1noc([C@@H]2CN(C(=O)N[C@@H]3C[N@H+](C(C)C)C[C@@H]3C)CCN2C)n1	ZINC000329060894	676617981	/nfs/dbraw/zinc/61/79/81/676617981.db2.gz	NKYRXHGVLGHEHQ-CFVMTHIKSA-N	1	0	350.467	1.309	20	30		FDEDRO
CN1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCOC4(CCOCC4)C3)C[C@H]21	ZINC000329095584	676619739	/nfs/dbraw/zinc/61/97/39/676619739.db2.gz	XYGQRNVUKLSSSJ-BZUAXINKSA-N	1	0	353.463	1.034	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C	ZINC000329102333	676620106	/nfs/dbraw/zinc/62/01/06/676620106.db2.gz	CWKVKHBNLDGTEW-XHSDSOJGSA-N	1	0	351.495	1.856	20	30		FDEDRO
C[C@@H]1CCN(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CC12CCC2	ZINC000329147065	676622571	/nfs/dbraw/zinc/62/25/71/676622571.db2.gz	OTKMWSYGBCGWAV-OLZOCXBDSA-N	1	0	357.476	1.556	20	30		FDEDRO
COCc1ccsc1C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1	ZINC000329171823	676623642	/nfs/dbraw/zinc/62/36/42/676623642.db2.gz	KTLBGRLMIXZVBF-CQSZACIVSA-N	1	0	351.472	1.894	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)NC[C@H]2CCCS(=O)(=O)C2)CCCCCC1	ZINC000329224028	676626569	/nfs/dbraw/zinc/62/65/69/676626569.db2.gz	YYQOSUPLHMJSER-OAHLLOKOSA-N	1	0	359.536	1.969	20	30		FDEDRO
C[C@@H]1CCC[C@](CNC(=O)NC[C@H]2CCCS(=O)(=O)C2)([NH+](C)C)C1	ZINC000329236824	676627337	/nfs/dbraw/zinc/62/73/37/676627337.db2.gz	OOQBRUYUVLFZBR-INMHGKMJSA-N	1	0	359.536	1.825	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)Cc3csc4nccn34)CC2)C1=O	ZINC000329462699	676639796	/nfs/dbraw/zinc/63/97/96/676639796.db2.gz	SYWYYUWGALBQNW-AWEZNQCLSA-N	1	0	361.471	1.590	20	30		FDEDRO
Cc1nc([C@@H]2CN(C(=O)NC[C@H]3CCC[N@@H+](C(C)C)C3)CCO2)no1	ZINC000329533431	676642947	/nfs/dbraw/zinc/64/29/47/676642947.db2.gz	YAGNLOWHCRKRSA-CABCVRRESA-N	1	0	351.451	1.786	20	30		FDEDRO
O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1csc(-c2nc[nH]n2)n1	ZINC000329571290	676644636	/nfs/dbraw/zinc/64/46/36/676644636.db2.gz	IXBRBNFZUWHETB-LLVKDONJSA-N	1	0	362.459	1.734	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C[C@H](C)S1(=O)=O	ZINC000329635219	676647384	/nfs/dbraw/zinc/64/73/84/676647384.db2.gz	XNWAMVCBNMSHAN-GASCZTMLSA-N	1	0	373.519	1.053	20	30		FDEDRO
CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)C1	ZINC000329733227	676652341	/nfs/dbraw/zinc/65/23/41/676652341.db2.gz	JMELVZSFXTZWNW-HWMZRRJGSA-N	1	0	352.479	1.841	20	30		FDEDRO
CC1(C)CN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CCS1(=O)=O	ZINC000329794798	676656882	/nfs/dbraw/zinc/65/68/82/676656882.db2.gz	GFTVSNUWEGUOOF-UHFFFAOYSA-N	1	0	373.519	1.054	20	30		FDEDRO
CN1CCC(CNC(=O)NC[C@@]2(C)CCOC2)([NH+]2CCCCC2)CC1	ZINC000329805990	676657831	/nfs/dbraw/zinc/65/78/31/676657831.db2.gz	NOCXRRHWTGFWGF-GOSISDBHSA-N	1	0	352.523	1.867	20	30		FDEDRO
CNC(=O)CN1CCC(NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)CC1	ZINC000329842232	676660225	/nfs/dbraw/zinc/66/02/25/676660225.db2.gz	NSIAPFOIFIOXFL-CQSZACIVSA-N	1	0	353.511	1.613	20	30		FDEDRO
CC(C)(CNC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)C[NH+]1CCCC1	ZINC000330074124	676671369	/nfs/dbraw/zinc/67/13/69/676671369.db2.gz	CQWHLABJWREVGV-CQSZACIVSA-N	1	0	360.524	1.036	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H](N3CCCC3=O)C2)C1	ZINC000330102147	676672624	/nfs/dbraw/zinc/67/26/24/676672624.db2.gz	IGPMNHGGYBAQLG-SJORKVTESA-N	1	0	350.507	1.965	20	30		FDEDRO
O=C(NC1CC[NH+](C2CCCC2)CC1)N1CC(=O)N(CC(F)(F)F)C1	ZINC000330143766	676674958	/nfs/dbraw/zinc/67/49/58/676674958.db2.gz	RHQXMKLUTAGAOE-UHFFFAOYSA-N	1	0	362.396	1.971	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CCO[C@H](C2CC2)C1	ZINC000330186536	676677203	/nfs/dbraw/zinc/67/72/03/676677203.db2.gz	SCBJFZHUBIYUHR-SQNIBIBYSA-N	1	0	351.491	1.779	20	30		FDEDRO
COC[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCO1	ZINC000330218117	676679406	/nfs/dbraw/zinc/67/94/06/676679406.db2.gz	JBKVUNYMABRRDS-GVDBMIGSSA-N	1	0	355.479	1.016	20	30		FDEDRO
CS(=O)(=O)N1CCC(CNC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1	ZINC000330233561	676679783	/nfs/dbraw/zinc/67/97/83/676679783.db2.gz	GAVMDUNEQLNJSJ-MRXNPFEDSA-N	1	0	372.535	1.179	20	30		FDEDRO
C[NH+](C)[C@H]1CCCN(C(=O)Nc2nc(CN3CCOCC3)cs2)CC1	ZINC000330254791	676681401	/nfs/dbraw/zinc/68/14/01/676681401.db2.gz	PIKGKEIIIUPXML-HNNXBMFYSA-N	1	0	367.519	1.937	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)N2CCN(C(C)(C)C(N)=O)CC2)CCSC1	ZINC000330259369	676681611	/nfs/dbraw/zinc/68/16/11/676681611.db2.gz	NIBPUXMMZICSGV-INIZCTEOSA-N	1	0	357.524	1.269	20	30		FDEDRO
CC(C)N1C[C@@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1=O	ZINC000330260429	676681677	/nfs/dbraw/zinc/68/16/77/676681677.db2.gz	SPVUDKVUYYWMJY-HNNXBMFYSA-N	1	0	352.479	1.144	20	30		FDEDRO
CC1CC[NH+](C[C@H](O)CNC(=O)c2cn(C)nc2[C@@H]2CCOC2)CC1	ZINC000330338225	676684663	/nfs/dbraw/zinc/68/46/63/676684663.db2.gz	VDGHCGWEAURZLO-HUUCEWRRSA-N	1	0	350.463	1.321	20	30		FDEDRO
CCCC[NH+]1CCC(NC(=O)N2CCC(N(C)S(C)(=O)=O)CC2)CC1	ZINC000330455045	676691536	/nfs/dbraw/zinc/69/15/36/676691536.db2.gz	WSVOJSVJYSHIPX-UHFFFAOYSA-N	1	0	374.551	1.521	20	30		FDEDRO
C[C@@H](CNC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F)[NH+](C)C	ZINC000330498555	676693839	/nfs/dbraw/zinc/69/38/39/676693839.db2.gz	BQWMEHDSXRSALX-NSHDSACASA-N	1	0	358.439	1.642	20	30		FDEDRO
CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCc1cccc(NS(C)(=O)=O)c1	ZINC000330793899	676704288	/nfs/dbraw/zinc/70/42/88/676704288.db2.gz	CSIQPNXHZPKMSA-OAHLLOKOSA-N	1	0	368.503	1.746	20	30		FDEDRO
Cc1c(CS(C)(=O)=O)cccc1NC(=O)N1CCO[C@@H](C[NH+](C)C)C1	ZINC000330823454	676705400	/nfs/dbraw/zinc/70/54/00/676705400.db2.gz	OARKSRAMAXQWSZ-HNNXBMFYSA-N	1	0	369.487	1.348	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1	ZINC000330968352	676711638	/nfs/dbraw/zinc/71/16/38/676711638.db2.gz	BRJZJFVJYQUGIV-GFCCVEGCSA-N	1	0	374.894	1.315	20	30		FDEDRO
COc1ccc(NC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)cc1NS(C)(=O)=O	ZINC000330978529	676712347	/nfs/dbraw/zinc/71/23/47/676712347.db2.gz	LOUNBYOIAZZJIR-YPMHNXCESA-N	1	0	370.475	1.875	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(S(C)(=O)=O)s2)C1	ZINC000330995822	676713392	/nfs/dbraw/zinc/71/33/92/676713392.db2.gz	UCOWHCSLSHWPQZ-GFCCVEGCSA-N	1	0	359.517	1.887	20	30		FDEDRO
C[C@H]1CN(C(=O)NCc2nc(C(F)(F)F)n[nH]2)CC[N@@H+]1CC(C)(C)O	ZINC000331241110	676723616	/nfs/dbraw/zinc/72/36/16/676723616.db2.gz	PUNSUTTWCPNDCN-VIFPVBQESA-N	1	0	364.372	1.015	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)C[C@H]1C	ZINC000331298395	676726291	/nfs/dbraw/zinc/72/62/91/676726291.db2.gz	UWRVSVHZBMSDIK-UKRRQHHQSA-N	1	0	368.503	1.993	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCC1	ZINC000331516729	676730268	/nfs/dbraw/zinc/73/02/68/676730268.db2.gz	YPNWSEZLMVWGOZ-ZDUSSCGKSA-N	1	0	364.427	1.715	20	30		FDEDRO
N#C[C@@H]1CCC[C@H]([NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)C1	ZINC000333326363	676768716	/nfs/dbraw/zinc/76/87/16/676768716.db2.gz	QHAUYFDEIHBQLO-ZBFHGGJFSA-N	1	0	355.504	1.632	20	30		FDEDRO
C#CCSCC[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000359990681	676859767	/nfs/dbraw/zinc/85/97/67/676859767.db2.gz	CGYYLLMJCVSUCA-UHFFFAOYSA-N	1	0	368.524	1.804	20	30		FDEDRO
O=C(NCC#Cc1ccc(C(F)(F)F)cc1)[C@H]1C[N@@H+]2CCN1CCC2	ZINC000367038762	677481464	/nfs/dbraw/zinc/48/14/64/677481464.db2.gz	QTNOAIYMPYDIKJ-MRXNPFEDSA-N	1	0	351.372	1.563	20	30		FDEDRO
CC#CCNC(=O)N1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000367953450	677496947	/nfs/dbraw/zinc/49/69/47/677496947.db2.gz	UKNDPIOVQJTPGN-HNNXBMFYSA-N	1	0	350.463	1.346	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)ccc1C(F)(F)F	ZINC000370728544	677609384	/nfs/dbraw/zinc/60/93/84/677609384.db2.gz	BLPWLWSUMCIEIG-UWVGGRQHSA-N	1	0	351.325	1.555	20	30		FDEDRO
C=CCNc1ncc(C(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)s1	ZINC000370778616	677613599	/nfs/dbraw/zinc/61/35/99/677613599.db2.gz	HOSNQAZOTVIDIL-KGLIPLIRSA-N	1	0	350.488	1.972	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(C#N)s1	ZINC000373020034	678009653	/nfs/dbraw/zinc/00/96/53/678009653.db2.gz	BBGAEIXDCFKCSN-KWCYVHTRSA-N	1	0	355.485	1.492	20	30		FDEDRO
C[C@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000374231148	678074909	/nfs/dbraw/zinc/07/49/09/678074909.db2.gz	UQSYNVOZGKKYGE-LRDDRELGSA-N	1	0	362.861	1.991	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1	ZINC000374462936	678083578	/nfs/dbraw/zinc/08/35/78/678083578.db2.gz	QCYWARQBAXHORA-RDJZCZTQSA-N	1	0	350.488	1.529	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1	ZINC000374583715	678087533	/nfs/dbraw/zinc/08/75/33/678087533.db2.gz	IROGBNSDUWSKEK-WBVHZDCISA-N	1	0	350.488	1.671	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(N2CCN(C)CC2=O)CC1	ZINC000374786593	678091582	/nfs/dbraw/zinc/09/15/82/678091582.db2.gz	ZQANIEXZXHWUDK-INIZCTEOSA-N	1	0	350.507	1.038	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1CCN(CC[N@@H+]2CCCOCC2)CC1)OCC	ZINC000376049924	678218411	/nfs/dbraw/zinc/21/84/11/678218411.db2.gz	HVEPKLSGCFSUBW-GOSISDBHSA-N	1	0	353.507	1.224	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1	ZINC000423347390	680789477	/nfs/dbraw/zinc/78/94/77/680789477.db2.gz	QHNOJVMDYPQCLA-SJORKVTESA-N	1	0	351.491	1.546	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1	ZINC000377628591	678577726	/nfs/dbraw/zinc/57/77/26/678577726.db2.gz	OCFNQUMHPCQBBZ-GDBMZVCRSA-N	1	0	352.385	1.311	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000409475720	678846955	/nfs/dbraw/zinc/84/69/55/678846955.db2.gz	OXXQLAUQPCWUCT-PMPSAXMXSA-N	1	0	360.524	1.192	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1	ZINC000409529457	678854566	/nfs/dbraw/zinc/85/45/66/678854566.db2.gz	OXBHNDYPJZHNFE-AWEZNQCLSA-N	1	0	356.517	1.955	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1	ZINC000409564779	678861088	/nfs/dbraw/zinc/86/10/88/678861088.db2.gz	CTUITCPUSKDKFJ-UHFFFAOYSA-N	1	0	364.515	1.893	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000409567040	678861404	/nfs/dbraw/zinc/86/14/04/678861404.db2.gz	HXESFHMNAWLDRE-CALCHBBNSA-N	1	0	374.551	1.441	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1	ZINC000410124277	678879899	/nfs/dbraw/zinc/87/98/99/678879899.db2.gz	JLYVCDJWFHVQBI-HOTGVXAUSA-N	1	0	352.504	1.823	20	30		FDEDRO
C=C(C)CN(C)C(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1	ZINC000410441393	678899989	/nfs/dbraw/zinc/89/99/89/678899989.db2.gz	YIMRJHZSOVCDQI-IRXDYDNUSA-N	1	0	350.507	1.038	20	30		FDEDRO
CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)[C@@H]([NH3+])CCCC#N)cc1	ZINC000424100499	680829758	/nfs/dbraw/zinc/82/97/58/680829758.db2.gz	HVSIRUIBWRWIPM-INIZCTEOSA-N	1	0	366.487	1.353	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O	ZINC000424164182	680831022	/nfs/dbraw/zinc/83/10/22/680831022.db2.gz	BWUNKOXQXJDFJZ-KGLIPLIRSA-N	1	0	352.797	1.722	20	30		FDEDRO
COC(=O)[C@@H]1CN(c2ncc(Br)cc2C#N)CC[N@H+](C)C1	ZINC000413503417	679274933	/nfs/dbraw/zinc/27/49/33/679274933.db2.gz	RZTXQXCVMYXUDB-NSHDSACASA-N	1	0	353.220	1.257	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1	ZINC000414889407	679372472	/nfs/dbraw/zinc/37/24/72/679372472.db2.gz	GKYXVXVGSQZIOS-HIFRSBDPSA-N	1	0	366.487	1.742	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)ccc1OC(F)(F)F	ZINC000415387102	679420828	/nfs/dbraw/zinc/42/08/28/679420828.db2.gz	XHKDBYUTJMJGRC-NSHDSACASA-N	1	0	356.304	1.264	20	30		FDEDRO
CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000415479794	679437460	/nfs/dbraw/zinc/43/74/60/679437460.db2.gz	AWPPLDSPWKKKGJ-UHFFFAOYSA-N	1	0	354.357	1.541	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)ccc1Br	ZINC000415536106	679446551	/nfs/dbraw/zinc/44/65/51/679446551.db2.gz	DMUFLRBOUWJBIT-GFCCVEGCSA-N	1	0	351.204	1.113	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)[C@H](C)C[NH2+]1	ZINC000415564006	679453082	/nfs/dbraw/zinc/45/30/82/679453082.db2.gz	NXHJZYLUUAADAH-NXEZZACHSA-N	1	0	365.231	1.468	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000415586595	679459065	/nfs/dbraw/zinc/45/90/65/679459065.db2.gz	YGDYEUZTDRRBNL-GXSJLCMTSA-N	1	0	354.332	1.711	20	30		FDEDRO
C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000415690220	679480115	/nfs/dbraw/zinc/48/01/15/679480115.db2.gz	LVEIESIPBDDLEX-HNNXBMFYSA-N	1	0	354.332	1.713	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)N(C)C[C@H](O)C[NH3+]	ZINC000415802561	679507788	/nfs/dbraw/zinc/50/77/88/679507788.db2.gz	IJHBWIWVLPQJNG-LLVKDONJSA-N	1	0	358.236	1.797	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)cc1C(F)(F)F	ZINC000415870584	679530994	/nfs/dbraw/zinc/53/09/94/679530994.db2.gz	PCUYVKUUBLBXRI-GFCCVEGCSA-N	1	0	354.332	1.774	20	30		FDEDRO
N#Cc1cccc([C@H]2CN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CCO2)c1	ZINC000416002387	679542409	/nfs/dbraw/zinc/54/24/09/679542409.db2.gz	DSGVOAPMLYRRLQ-ZIAGYGMSSA-N	1	0	356.348	1.921	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1	ZINC000416552722	679652788	/nfs/dbraw/zinc/65/27/88/679652788.db2.gz	HWWPWKLXVLTOIM-LBPRGKRZSA-N	1	0	352.416	1.477	20	30		FDEDRO
COC(=O)CC1([NH2+]CC(=O)N(C)C2(C#N)CCCCC2)CCOCC1	ZINC000473287190	685280949	/nfs/dbraw/zinc/28/09/49/685280949.db2.gz	JIWDLUDBDBBPEA-UHFFFAOYSA-N	1	0	351.447	1.373	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000418134496	680008180	/nfs/dbraw/zinc/00/81/80/680008180.db2.gz	NGNYHRFAWDDEMH-MCIONIFRSA-N	1	0	364.412	1.103	20	30		FDEDRO
C=CC[C@H](CO)CNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1	ZINC000418557907	680089797	/nfs/dbraw/zinc/08/97/97/680089797.db2.gz	BFEVFWKACHETAS-JDFRZJQESA-N	1	0	353.413	1.894	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCSCc1ccccc1C#N	ZINC000418920949	680153450	/nfs/dbraw/zinc/15/34/50/680153450.db2.gz	LEXUCKGDGPPUPE-CZUORRHYSA-N	1	0	360.483	1.022	20	30		FDEDRO
C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1cccc(Br)c1C#N	ZINC000420431759	680447731	/nfs/dbraw/zinc/44/77/31/680447731.db2.gz	XNCKMDISXCTEKC-NXEZZACHSA-N	1	0	358.261	1.679	20	30		FDEDRO
C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000420443893	680454314	/nfs/dbraw/zinc/45/43/14/680454314.db2.gz	YUMQVQKPZYHNKI-TVQRCGJNSA-N	1	0	358.261	1.597	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N[C@H]1CC[C@H](C[NH3+])C1	ZINC000420447890	680455800	/nfs/dbraw/zinc/45/58/00/680455800.db2.gz	DAUAXJOPGHCVIO-UWVGGRQHSA-N	1	0	358.261	1.726	20	30		FDEDRO
CC[C@H](CS(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)OC	ZINC000420653922	680501747	/nfs/dbraw/zinc/50/17/47/680501747.db2.gz	ADGDUWVJTGEPSU-QGZVFWFLSA-N	1	0	353.488	1.677	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1	ZINC000421017702	680589272	/nfs/dbraw/zinc/58/92/72/680589272.db2.gz	LYICEKQIYYUGPO-IHRRRGAJSA-N	1	0	353.463	1.686	20	30		FDEDRO
C[C@H](CC[NH+](C)C)NS(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000443478509	682304998	/nfs/dbraw/zinc/30/49/98/682304998.db2.gz	ZRDICLRFIWMSKI-SNVBAGLBSA-N	1	0	360.277	1.939	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)c3cc(C#N)ccc3Cl)CC2)C1=O	ZINC000425310107	680893719	/nfs/dbraw/zinc/89/37/19/680893719.db2.gz	OBBMUOQLZRKQLW-INIZCTEOSA-N	1	0	360.845	1.637	20	30		FDEDRO
COCC(C)(C)[NH+]1CCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1	ZINC000425500976	680906002	/nfs/dbraw/zinc/90/60/02/680906002.db2.gz	DULCTBAOQUFOHO-UHFFFAOYSA-N	1	0	350.507	1.714	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1	ZINC000425859520	680936969	/nfs/dbraw/zinc/93/69/69/680936969.db2.gz	RUPIINVVYJKNMD-KSZLIROESA-N	1	0	350.507	1.389	20	30		FDEDRO
C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1	ZINC000428854109	681015982	/nfs/dbraw/zinc/01/59/82/681015982.db2.gz	CEDFJOIMSRKEGP-GFCCVEGCSA-N	1	0	352.416	1.571	20	30		FDEDRO
COCC(C)(C)[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000429258489	681028635	/nfs/dbraw/zinc/02/86/35/681028635.db2.gz	VWWJAJWRIVFBEE-HNNXBMFYSA-N	1	0	364.515	1.814	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1	ZINC000430411848	681076021	/nfs/dbraw/zinc/07/60/21/681076021.db2.gz	VVKUTENPXXFXDN-ZACQAIPSSA-N	1	0	351.491	1.322	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1cnc2n1CCC2)C(C)C	ZINC000444098531	682380685	/nfs/dbraw/zinc/38/06/85/682380685.db2.gz	ARQDUWYHXAQAAO-HNNXBMFYSA-N	1	0	352.504	1.806	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCCC(C)(C)[C@@H]2C#N)C1	ZINC000444718496	682422232	/nfs/dbraw/zinc/42/22/32/682422232.db2.gz	KSZNVNNBIKHSMZ-SJORKVTESA-N	1	0	350.507	1.474	20	30		FDEDRO
C=CCC[C@@H](CO)[NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1	ZINC000449702673	682702302	/nfs/dbraw/zinc/70/23/02/682702302.db2.gz	ZRMNKEPWXCEOMF-HNNXBMFYSA-N	1	0	356.492	1.096	20	30		FDEDRO
CC(C)(CC#N)CS(=O)(=O)N1CCC(CC[NH+]2CCOCC2)CC1	ZINC000451135783	682826102	/nfs/dbraw/zinc/82/61/02/682826102.db2.gz	NMDOCCXQXYDPAL-UHFFFAOYSA-N	1	0	357.520	1.690	20	30		FDEDRO
C[C@H](CNS(=O)(=O)c1ccc(CC#N)cc1Cl)N1CC[NH+](C)CC1	ZINC000451236796	682848617	/nfs/dbraw/zinc/84/86/17/682848617.db2.gz	PQMJCAPDYWTWGB-CYBMUJFWSA-N	1	0	370.906	1.320	20	30		FDEDRO
C[C@@H]1[C@@H](O)CCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000451459265	682883575	/nfs/dbraw/zinc/88/35/75/682883575.db2.gz	PUUDGOKSHUNIEJ-PMPSAXMXSA-N	1	0	362.499	1.302	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)NCC1(N2CCOCC2)CCCCC1	ZINC000451602981	682904987	/nfs/dbraw/zinc/90/49/87/682904987.db2.gz	XYGVLFRYKSVMPL-SJORKVTESA-N	1	0	351.491	1.071	20	30		FDEDRO
CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000453655678	683177674	/nfs/dbraw/zinc/17/76/74/683177674.db2.gz	XZQSNBKDBYPQNC-ZDUSSCGKSA-N	1	0	363.849	1.926	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+](CC)C[C@@H]2CC)c1	ZINC000456354014	683613442	/nfs/dbraw/zinc/61/34/42/683613442.db2.gz	OZDGFJSANRSOHL-INIZCTEOSA-N	1	0	365.499	1.707	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1	ZINC000459026179	684357687	/nfs/dbraw/zinc/35/76/87/684357687.db2.gz	LYAJBYXFHBZVMY-FJIDUMEYSA-N	1	0	350.507	1.530	20	30		FDEDRO
N#Cc1ccsc1NC(=O)C[NH2+]C1(C(N)=O)C2CC3CC(C2)CC1C3	ZINC000459766238	684455618	/nfs/dbraw/zinc/45/56/18/684455618.db2.gz	DHQDGBCDICMGMQ-UHFFFAOYSA-N	1	0	358.467	1.828	20	30		FDEDRO
N#CC1(CS(=O)(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CC1	ZINC000463422226	684690145	/nfs/dbraw/zinc/69/01/45/684690145.db2.gz	UELIEGNROPZOIN-UHFFFAOYSA-N	1	0	363.483	1.884	20	30		FDEDRO
CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCC2)c1	ZINC000469793604	684986689	/nfs/dbraw/zinc/98/66/89/684986689.db2.gz	HJPZOGBOUNPVLV-QWHCGFSZSA-N	1	0	364.471	1.196	20	30		FDEDRO
CC(C)OCC[NH+]1CCN(CCC(=O)Nc2sccc2C#N)CC1	ZINC000470876185	685086371	/nfs/dbraw/zinc/08/63/71/685086371.db2.gz	PVKFUUWRLMIMET-UHFFFAOYSA-N	1	0	350.488	1.991	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(CC(=O)Nc2sccc2C#N)C1	ZINC000472275937	685193051	/nfs/dbraw/zinc/19/30/51/685193051.db2.gz	KJBABPWXCPUUFA-OAHLLOKOSA-N	1	0	350.488	1.991	20	30		FDEDRO
C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1	ZINC000486121315	686836526	/nfs/dbraw/zinc/83/65/26/686836526.db2.gz	AIQZOBPEHNEUQT-DAXOMENPSA-N	1	0	358.467	1.596	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2nc(COC)cs2)CC1	ZINC000498763521	687852620	/nfs/dbraw/zinc/85/26/20/687852620.db2.gz	CVNBXIOXBZXUSE-UHFFFAOYSA-N	1	0	352.460	1.385	20	30		FDEDRO
COC(=O)[C@H]1[C@@H](C(=O)OC)CCCN1CCCC1(C#N)CCOCC1	ZINC000499571925	687966627	/nfs/dbraw/zinc/96/66/27/687966627.db2.gz	GKKPEWHTLVXYQB-LSDHHAIUSA-N	1	0	352.431	1.514	20	30		FDEDRO
C=C(C)COc1cc(C[NH2+]C[C@H]2CS(=O)(=O)CCO2)ccc1OC	ZINC000507862367	688683764	/nfs/dbraw/zinc/68/37/64/688683764.db2.gz	VFKZMNNAPCBROE-HNNXBMFYSA-N	1	0	355.456	1.553	20	30		FDEDRO
Cc1cccc(N2CC[NH+](CCCCNS(=O)(=O)[C@@H](C)C#N)CC2)c1	ZINC000510790006	689422119	/nfs/dbraw/zinc/42/21/19/689422119.db2.gz	DAXSAOAOIDJDRH-KRWDZBQOSA-N	1	0	364.515	1.729	20	30		FDEDRO
C=C(C)CS(=O)(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000511252172	689496040	/nfs/dbraw/zinc/49/60/40/689496040.db2.gz	OZCBGNVPVBDBKE-IBGZPJMESA-N	1	0	363.527	1.784	20	30		FDEDRO
COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCN(S(C)(=O)=O)C1	ZINC000513890894	689708346	/nfs/dbraw/zinc/70/83/46/689708346.db2.gz	WKCWQFCMZTVKNK-QGZVFWFLSA-N	1	0	351.472	1.288	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1C#N	ZINC000515312415	689840194	/nfs/dbraw/zinc/84/01/94/689840194.db2.gz	KFKOMMHVTKPAIV-NVXWUHKLSA-N	1	0	364.471	1.169	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1	ZINC000515339505	689843248	/nfs/dbraw/zinc/84/32/48/689843248.db2.gz	JONPGUSGRIDLPN-ZWKOTPCHSA-N	1	0	363.483	1.606	20	30		FDEDRO
Cc1csc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1C#N	ZINC000515496352	689865282	/nfs/dbraw/zinc/86/52/82/689865282.db2.gz	NGLLIWWSZBUVGT-CQSZACIVSA-N	1	0	361.471	1.699	20	30		FDEDRO
C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000516290959	689939496	/nfs/dbraw/zinc/93/94/96/689939496.db2.gz	DDJCXFBAYXBAEE-NEPJUHHUSA-N	1	0	355.360	1.415	20	30		FDEDRO
CS(=O)(=O)C1CCC([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000517230844	690047607	/nfs/dbraw/zinc/04/76/07/690047607.db2.gz	KCSUJEQFKJWBGS-UHFFFAOYSA-N	1	0	370.496	1.277	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC[NH2+]C23CCC3)cc1	ZINC000528689952	694743523	/nfs/dbraw/zinc/74/35/23/694743523.db2.gz	QKUIUBQMLUGWSY-DOMZBBRYSA-N	1	0	362.455	1.778	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@H]1[NH+](C)C	ZINC000535619896	694907338	/nfs/dbraw/zinc/90/73/38/694907338.db2.gz	GBTABLMFBDEVTN-CHWSQXEVSA-N	1	0	359.904	1.878	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[NH2+]C[C@H]2C(C)C)cc1	ZINC000638482795	695362412	/nfs/dbraw/zinc/36/24/12/695362412.db2.gz	CVKZNGDGAIKEFD-INIZCTEOSA-N	1	0	351.472	1.221	20	30		FDEDRO
COC(=O)[C@@H]1C[NH2+]CCN1C(F)(F)c1cc(Cl)nc(Cl)c1C#N	ZINC001164625802	719131202	/nfs/dbraw/zinc/13/12/02/719131202.db2.gz	YWABEGOKCOWKOU-VIFPVBQESA-N	1	0	365.167	1.756	20	30		FDEDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(C#N)c(OC)n1)C2	ZINC001164809771	720090336	/nfs/dbraw/zinc/09/03/36/720090336.db2.gz	KCCCPFLCSSEDHZ-QFBILLFUSA-N	1	0	357.458	1.542	20	30		FDEDRO
Cc1ncc(C#N)c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1	ZINC001164825107	720309963	/nfs/dbraw/zinc/30/99/63/720309963.db2.gz	SKAMUAXZPLNLGE-QZTJIDSGSA-N	1	0	368.485	1.568	20	30		FDEDRO
N#Cc1nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)ccc1Cl	ZINC001164743005	720627000	/nfs/dbraw/zinc/62/70/00/720627000.db2.gz	NXXKFRHVKLXAEM-OLZOCXBDSA-N	1	0	356.817	1.739	20	30		FDEDRO
N#Cc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cn1	ZINC001164739854	720815831	/nfs/dbraw/zinc/81/58/31/720815831.db2.gz	JCJQDKDIZWAYHD-BPQIPLTHSA-N	1	0	364.457	1.319	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3nccc(Cl)c3C#N)CC[C@@H]2C1	ZINC001164857141	720843709	/nfs/dbraw/zinc/84/37/09/720843709.db2.gz	XTNXBACYALZLLU-CJNGLKHVSA-N	1	0	350.850	1.780	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1noc2c1CN(c1ccc(Cl)c(C#N)n1)CC2	ZINC001164748919	720946852	/nfs/dbraw/zinc/94/68/52/720946852.db2.gz	FSCACCVPQHBYJK-UHFFFAOYSA-N	1	0	374.832	1.449	20	30		FDEDRO
Cc1ccnc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)c1C#N	ZINC001164752324	720947855	/nfs/dbraw/zinc/94/78/55/720947855.db2.gz	XQNRSHGAUOIXBZ-UHFFFAOYSA-N	1	0	354.414	1.104	20	30		FDEDRO
Cc1ncc(C#N)c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1	ZINC001164868674	721074217	/nfs/dbraw/zinc/07/42/17/721074217.db2.gz	PIXROIOMQGCLPX-ROUUACIJSA-N	1	0	350.426	1.531	20	30		FDEDRO
COc1cc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)ncc1C#N	ZINC001164765302	721074280	/nfs/dbraw/zinc/07/42/80/721074280.db2.gz	IWZLGJQABVZWKF-DOTOQJQBSA-N	1	0	352.442	1.654	20	30		FDEDRO
Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)ncc4C#N)C[C@H]3C2)cn1	ZINC001164772528	721094990	/nfs/dbraw/zinc/09/49/90/721094990.db2.gz	UYMFCACKMBVJNP-UKRRQHHQSA-N	1	0	357.849	1.693	20	30		FDEDRO
COc1ccnc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1C#N	ZINC001164763446	721109809	/nfs/dbraw/zinc/10/98/09/721109809.db2.gz	FZEKMYGYRVMWBB-CVEARBPZSA-N	1	0	352.442	1.654	20	30		FDEDRO
N#Cc1cnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(F)c1	ZINC001164865187	721117039	/nfs/dbraw/zinc/11/70/39/721117039.db2.gz	JLTUZQHZIYGIRM-IAGOWNOFSA-N	1	0	353.401	1.967	20	30		FDEDRO
N#Cc1ncc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1C#N	ZINC001164880998	721156305	/nfs/dbraw/zinc/15/63/05/721156305.db2.gz	YSLCHWKJLBQCOS-JKSUJKDBSA-N	1	0	361.409	1.095	20	30		FDEDRO
C[NH+]1CCN(Cc2cn3c(n2)CN(c2nccc(C#N)c2F)CC3)CC1	ZINC001164794945	721513151	/nfs/dbraw/zinc/51/31/51/721513151.db2.gz	YRZJPDWIBOIXIQ-UHFFFAOYSA-N	1	0	355.421	1.056	20	30		FDEDRO
CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)cnc2C#N)CC1	ZINC001165009509	721733166	/nfs/dbraw/zinc/73/31/66/721733166.db2.gz	YDWOSDXSSWLFHQ-UHFFFAOYSA-N	1	0	362.865	1.525	20	30		FDEDRO
CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncc3c(C#N)c[nH]c3n2)CC1	ZINC001165010516	721742664	/nfs/dbraw/zinc/74/26/64/721742664.db2.gz	NTWNUZUGKGKEJM-UHFFFAOYSA-N	1	0	367.457	1.353	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21	ZINC000972152148	782549387	/nfs/dbraw/zinc/54/93/87/782549387.db2.gz	LVQIIICHKUKXIV-FHLIZLRMSA-N	1	0	369.469	1.432	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c1	ZINC000866842976	768875791	/nfs/dbraw/zinc/87/57/91/768875791.db2.gz	HMARQIOYOJFJJS-OAHLLOKOSA-N	1	0	355.435	1.213	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)CC)C[C@H]1C	ZINC001104223235	769048831	/nfs/dbraw/zinc/04/88/31/769048831.db2.gz	SSYCUWDKMFKZAN-OWCLPIDISA-N	1	0	359.536	1.355	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)cc1	ZINC001020422752	769405205	/nfs/dbraw/zinc/40/52/05/769405205.db2.gz	BGBCOSNALOVWFP-VPAKFMSCSA-N	1	0	355.438	1.347	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CC(C)(C)CO2)C[C@H]1C	ZINC001104411953	782775760	/nfs/dbraw/zinc/77/57/60/782775760.db2.gz	PPYNAEWLFQYWDS-KZNAEPCWSA-N	1	0	350.503	1.916	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)C[C@@H]3C[C@H]3C3CC3)[C@H]2C)CC1	ZINC001020461827	769863716	/nfs/dbraw/zinc/86/37/16/769863716.db2.gz	RWMWRENWIXDVHU-KNTRFNDTSA-N	1	0	371.525	1.873	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCO[C@@H]3C[N@H+](CCC[C@@H]4CCOC4)C[C@@H]32)c1	ZINC001083188257	769981942	/nfs/dbraw/zinc/98/19/42/769981942.db2.gz	LSXWGAXOBIFXNX-YZGWKJHDSA-N	1	0	369.465	1.405	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2csc(COC)n2)C1	ZINC001022736148	782804042	/nfs/dbraw/zinc/80/40/42/782804042.db2.gz	OWUOVWDYJAPPHZ-OSRDXIQISA-N	1	0	351.472	1.617	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H]1C	ZINC001020519326	770162813	/nfs/dbraw/zinc/16/28/13/770162813.db2.gz	XNUJVDZCYAAISN-MHORFTMASA-N	1	0	363.502	1.415	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cnnn2C)c1	ZINC001087211054	782822995	/nfs/dbraw/zinc/82/29/95/782822995.db2.gz	PETARQKADSLBRL-PBHICJAKSA-N	1	0	352.442	1.222	20	30		FDEDRO
C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(Cc2ccc(F)c(C#N)c2)C1	ZINC000969705233	770694102	/nfs/dbraw/zinc/69/41/02/770694102.db2.gz	VGWNRCUDSLJVKN-PMUMKWKESA-N	1	0	358.461	1.974	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1	ZINC001020579224	770805359	/nfs/dbraw/zinc/80/53/59/770805359.db2.gz	IFUODJCKTSQOFL-ZQDZILKHSA-N	1	0	355.866	1.146	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H]3CN(Cc4cccc(C#N)c4)C[C@@H]32)C1	ZINC001083192834	771015930	/nfs/dbraw/zinc/01/59/30/771015930.db2.gz	QTICAWZVQLNFOH-LSTHTHJFSA-N	1	0	368.481	1.312	20	30		FDEDRO
C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC000969965058	771129344	/nfs/dbraw/zinc/12/93/44/771129344.db2.gz	HMYXHUCTNUEQHG-BNOWGMLFSA-N	1	0	350.381	1.735	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1	ZINC000969970117	771136572	/nfs/dbraw/zinc/13/65/72/771136572.db2.gz	MBZHZGWGLLBXCN-OAGGEKHMSA-N	1	0	358.417	1.112	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1	ZINC000970039846	771241131	/nfs/dbraw/zinc/24/11/31/771241131.db2.gz	JIIQCDAEUOUPDB-HZSPNIEDSA-N	1	0	353.264	1.623	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2c(C)nnn2CC)C1	ZINC001020715829	771292828	/nfs/dbraw/zinc/29/28/28/771292828.db2.gz	LPSUDCYASOBAIF-OVWQWFNUSA-N	1	0	361.490	1.715	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2sc(C)cc2C)C[C@H]1C	ZINC001104242707	771686482	/nfs/dbraw/zinc/68/64/82/771686482.db2.gz	PMCAICIQVQBMSO-GDBMZVCRSA-N	1	0	361.511	1.802	20	30		FDEDRO
COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1C[C@H]2COC[C@@H](C1)C2[NH3+]	ZINC001167188366	771704292	/nfs/dbraw/zinc/70/42/92/771704292.db2.gz	WLQKQSADJNOIHE-FKEKPDDDSA-N	1	0	373.529	1.507	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1	ZINC000430373632	771706966	/nfs/dbraw/zinc/70/69/66/771706966.db2.gz	FWUITNTVNIODMT-ZWKOTPCHSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1	ZINC000430390638	771742309	/nfs/dbraw/zinc/74/23/09/771742309.db2.gz	DSLUQFPAMQNNMC-BZSNNMDCSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1	ZINC000430398392	771781503	/nfs/dbraw/zinc/78/15/03/771781503.db2.gz	YANVLHACYXSPGT-SQNIBIBYSA-N	1	0	363.502	1.561	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCCC1(C[NH2+]Cc2cccc(C#N)c2)CC1	ZINC001167242665	771794995	/nfs/dbraw/zinc/79/49/95/771794995.db2.gz	FPHBZHFNWYIKNV-ZWKOTPCHSA-N	1	0	368.481	1.659	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]Cc2nnnn2C(C)C)CC1	ZINC001167274440	771851044	/nfs/dbraw/zinc/85/10/44/771851044.db2.gz	SNRRYWMRTRKFTA-CABCVRRESA-N	1	0	362.478	1.221	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](NC(=O)c2c(C)[nH]nc2C(C)C)C1	ZINC001210104505	771934816	/nfs/dbraw/zinc/93/48/16/771934816.db2.gz	QSONWZOSQLXQCK-VHDGCEQUSA-N	1	0	361.490	1.582	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](NCc2nnnn2C(C)(C)C)C1	ZINC000970242156	772185163	/nfs/dbraw/zinc/18/51/63/772185163.db2.gz	UVADAZKNNVDEAJ-YCPHGPKFSA-N	1	0	362.478	1.100	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(CC)CCC1)C2	ZINC001112512802	782991363	/nfs/dbraw/zinc/99/13/63/782991363.db2.gz	SWKNDGMZRFKNCR-FIKGOQFSSA-N	1	0	359.514	1.923	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)[C@@H](O)C2)C1	ZINC000970268789	772223519	/nfs/dbraw/zinc/22/35/19/772223519.db2.gz	ZDOQTWLGVVPZHC-SJORKVTESA-N	1	0	363.502	1.151	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C)C1)OCC	ZINC001104255417	772435070	/nfs/dbraw/zinc/43/50/70/772435070.db2.gz	PQEOKFREZPVYKK-BRWVUGGUSA-N	1	0	353.507	1.520	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)CCNC(=O)c2ccncc2)C[C@H]1C	ZINC001104259445	772499271	/nfs/dbraw/zinc/49/92/71/772499271.db2.gz	NXXWJRNWUHUJNN-SJLPKXTDSA-N	1	0	356.470	1.299	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@@H]2O)C1	ZINC000970398669	772558092	/nfs/dbraw/zinc/55/80/92/772558092.db2.gz	JGWNHMSIJCMRQQ-BBWFWOEESA-N	1	0	363.502	1.294	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@H]2O)C1	ZINC000970403122	772567387	/nfs/dbraw/zinc/56/73/87/772567387.db2.gz	MZNQOSUQHZPBBC-IXDOHACOSA-N	1	0	363.502	1.151	20	30		FDEDRO
CCOc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C2)cn1	ZINC001104264395	772570744	/nfs/dbraw/zinc/57/07/44/772570744.db2.gz	KKJDRTVWHXZBQI-SJLPKXTDSA-N	1	0	359.470	1.818	20	30		FDEDRO
C=CCCn1cc(C[NH2+][C@H](C)CCNS(=O)(=O)c2ccccc2)nn1	ZINC000657464590	783026416	/nfs/dbraw/zinc/02/64/16/783026416.db2.gz	UAEMVFAGZLRGNK-OAHLLOKOSA-N	1	0	363.487	1.701	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)/C(C)=C\CC)C[C@H]1c1ccccc1	ZINC001211549081	783027284	/nfs/dbraw/zinc/02/72/84/783027284.db2.gz	AXXHLPZCFPWOJW-KFMUGMCPSA-N	1	0	353.466	1.676	20	30		FDEDRO
C[C@H](NC(=O)[C@H]1OCC[C@H]1C)C1C[NH+](Cc2ccc(OCC#N)cc2)C1	ZINC000970439059	772639442	/nfs/dbraw/zinc/63/94/42/772639442.db2.gz	DYLCOSZPYKOSEV-VCBZYWHSSA-N	1	0	357.454	1.950	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cnn(C)c2)C1=O	ZINC001087117909	772668389	/nfs/dbraw/zinc/66/83/89/772668389.db2.gz	NECKUOMCVDLPNF-HYVNUMGLSA-N	1	0	359.474	1.037	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(C(=O)NC)cc2)C1	ZINC000970446141	772674650	/nfs/dbraw/zinc/67/46/50/772674650.db2.gz	AUARBYIGHVGXJY-KYNGSXCRSA-N	1	0	371.481	1.574	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ccc3c(c2)nnn3C)C1	ZINC000970447709	772678287	/nfs/dbraw/zinc/67/82/87/772678287.db2.gz	RSFZJWKVZBFQPL-CRFBAAHOSA-N	1	0	369.469	1.496	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)NC2)C[C@H]1C	ZINC001104283973	772829982	/nfs/dbraw/zinc/82/99/82/772829982.db2.gz	JSCLAPCSVJSCOK-IXDOHACOSA-N	1	0	351.491	1.180	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cnns1	ZINC001087215678	783052558	/nfs/dbraw/zinc/05/25/58/783052558.db2.gz	LRDMDZZDBLJWPO-CLWVCHIJSA-N	1	0	350.488	1.846	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1	ZINC001021324537	772912729	/nfs/dbraw/zinc/91/27/29/772912729.db2.gz	FUROTEUEYMMTCW-RYQLBKOJSA-N	1	0	369.469	1.434	20	30		FDEDRO
CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC000970559041	772957758	/nfs/dbraw/zinc/95/77/58/772957758.db2.gz	VAEGCMGKKUITEQ-DKSSEZFCSA-N	1	0	354.454	1.061	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1	ZINC001104286416	773033755	/nfs/dbraw/zinc/03/37/55/773033755.db2.gz	BTPDLOANROPNLU-AYOQOUSVSA-N	1	0	368.481	1.659	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1nnc(C)[nH]1	ZINC001021407577	773219931	/nfs/dbraw/zinc/21/99/31/773219931.db2.gz	QJSLFVCRLLNEEW-VCGNEYLSSA-N	1	0	359.474	1.706	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1nonc1C	ZINC001021406905	773231523	/nfs/dbraw/zinc/23/15/23/773231523.db2.gz	BTUNHBYPBUNESW-VCGNEYLSSA-N	1	0	360.458	1.971	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1	ZINC000656026340	773315106	/nfs/dbraw/zinc/31/51/06/773315106.db2.gz	FCWSEHUTVTUHNP-GVDBMIGSSA-N	1	0	351.491	1.594	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3coc(CC)n3)[C@@H]2C1	ZINC001021432962	773320596	/nfs/dbraw/zinc/32/05/96/773320596.db2.gz	YMWRFXISOOXZDU-BHYGNILZSA-N	1	0	370.453	1.008	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1COCCN1CCCC)C2	ZINC001112493309	773781490	/nfs/dbraw/zinc/78/14/90/773781490.db2.gz	VPQAKXCOWNZBAZ-ZJOUEHCJSA-N	1	0	361.530	1.729	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(F)ccc2F)C[C@H]1C	ZINC001104293910	773876078	/nfs/dbraw/zinc/87/60/78/773876078.db2.gz	LOJUUSLXCQSVJC-ZIAGYGMSSA-N	1	0	365.424	1.955	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[C@H](OC)CN1C(C)=O)C2	ZINC001112493758	773923634	/nfs/dbraw/zinc/92/36/34/773923634.db2.gz	DPCPONQVFYZPSU-GNBUJSLZSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn(C)nc1[C@@H]1CCOC1)C2	ZINC001112494517	773938286	/nfs/dbraw/zinc/93/82/86/773938286.db2.gz	SAUZAWQZOMBVHP-GUXCAODWSA-N	1	0	358.486	1.942	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CC(F)(F)F)C1=O	ZINC001087130869	774446542	/nfs/dbraw/zinc/44/65/42/774446542.db2.gz	MJGFVWSVAPTWOQ-RDBSUJKOSA-N	1	0	361.408	1.942	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N1CCN(C2CC2)C(=O)C1	ZINC000261656539	774753194	/nfs/dbraw/zinc/75/31/94/774753194.db2.gz	FPPWLSZBEOAVFV-JQHSSLGASA-N	1	0	360.502	1.606	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnn3ccc(C)cc23)C[C@H]1C	ZINC001104317618	774844605	/nfs/dbraw/zinc/84/46/05/774844605.db2.gz	CWOKXOCDCVIDNQ-QZTJIDSGSA-N	1	0	368.481	1.980	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1CC[NH2+]Cc1ccccc1C#N	ZINC001104317894	774854029	/nfs/dbraw/zinc/85/40/29/774854029.db2.gz	RASDVKRATIQYFU-RHSMWYFYSA-N	1	0	356.470	1.644	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](CC)[C@H]2CCCCO2)CC1	ZINC000656311375	774907859	/nfs/dbraw/zinc/90/78/59/774907859.db2.gz	MGJOZQKAULWYNQ-DLBZAZTESA-N	1	0	351.491	1.607	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1CC[NH2+]Cc1ccccc1C#N	ZINC001104320695	774927019	/nfs/dbraw/zinc/92/70/19/774927019.db2.gz	AJUNNKBEVBRUQR-ATZDWAIDSA-N	1	0	368.481	1.659	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(OCC#N)c2)[C@@H](C)C1	ZINC000276053471	775551134	/nfs/dbraw/zinc/55/11/34/775551134.db2.gz	MZZCZLVHDZYYCH-WMLDXEAASA-N	1	0	358.442	1.716	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2C(=O)CCC2=O)C1	ZINC001104731390	790391324	/nfs/dbraw/zinc/39/13/24/790391324.db2.gz	GRYUWMBLRQEFSD-HZPDHXFCSA-N	1	0	363.502	1.812	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NCC)C1	ZINC001104731572	790391433	/nfs/dbraw/zinc/39/14/33/790391433.db2.gz	OPOUKIRKTPJWPS-HUUCEWRRSA-N	1	0	366.506	1.509	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H](C[NH2+]C[C@@H]2CCNC(=O)CC2)C1	ZINC001087152186	776064587	/nfs/dbraw/zinc/06/45/87/776064587.db2.gz	JCONOWVTGSGCDR-VKJFTORMSA-N	1	0	371.485	1.633	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1	ZINC000276160865	776174702	/nfs/dbraw/zinc/17/47/02/776174702.db2.gz	RTVZELUBWTVDNW-ZDUSSCGKSA-N	1	0	356.426	1.662	20	30		FDEDRO
CC1(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(=O)NCC#N)C2)CCC1	ZINC001211648601	790437660	/nfs/dbraw/zinc/43/76/60/790437660.db2.gz	GNJXGANBARXKRJ-DLBZAZTESA-N	1	0	354.454	1.401	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CCO[C@@H]3C[N@@H+](C[C@H](C)OC)C[C@@H]32)cc1	ZINC001083217456	776481101	/nfs/dbraw/zinc/48/11/01/776481101.db2.gz	ZJKOFJWJWIVCCK-ZYSHUDEJSA-N	1	0	358.438	1.259	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@H]4CC=CCC4)C[C@H]32)CC1	ZINC001021883538	776484335	/nfs/dbraw/zinc/48/43/35/776484335.db2.gz	HWCNRNTZDQCFHK-YSIASYRMSA-N	1	0	369.509	1.747	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@H](C)SC)C[C@H]32)CC1	ZINC001021884520	776499760	/nfs/dbraw/zinc/49/97/60/776499760.db2.gz	ZLNLCPOLJWLUKL-BHYGNILZSA-N	1	0	363.527	1.142	20	30		FDEDRO
C=C(C)C[C@@H](CO)NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1	ZINC000891405603	776908822	/nfs/dbraw/zinc/90/88/22/776908822.db2.gz	XWNKIDGOVMFORR-INIZCTEOSA-N	1	0	363.458	1.317	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(F)F)C[C@H]1c1ccccc1	ZINC001211515009	776941843	/nfs/dbraw/zinc/94/18/43/776941843.db2.gz	JSSDPJQTNFHEDQ-VNQPRFMTSA-N	1	0	363.408	1.364	20	30		FDEDRO
C#CCC1([NH2+]C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CCC1	ZINC000933299050	777015002	/nfs/dbraw/zinc/01/50/02/777015002.db2.gz	MLSBVWZVGBVZPZ-LJQANCHMSA-N	1	0	357.498	1.714	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2nn(C)c(C)c2Cl)C[C@H]1C	ZINC001104738098	790510411	/nfs/dbraw/zinc/51/04/11/790510411.db2.gz	FVLDFWBKGKJUJG-UKRRQHHQSA-N	1	0	366.893	1.720	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2nnn(C)n2)C1	ZINC001075421950	777226245	/nfs/dbraw/zinc/22/62/45/777226245.db2.gz	BQRSIOLUHOYIJF-NVXWUHKLSA-N	1	0	370.432	1.208	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)C[C@H]1C	ZINC001104360496	777273426	/nfs/dbraw/zinc/27/34/26/777273426.db2.gz	LEFQEAKROTUZSY-BRWVUGGUSA-N	1	0	351.491	1.132	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCn3ccnc3C2)C[C@H]1C	ZINC001104367556	777952633	/nfs/dbraw/zinc/95/26/33/777952633.db2.gz	YLBYEIGILRMVLP-KZNAEPCWSA-N	1	0	360.502	1.722	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2ncn(C)n2)[C@H](C[NH2+]Cc2cc(C#N)ccc2F)C1	ZINC001087162123	778012914	/nfs/dbraw/zinc/01/29/14/778012914.db2.gz	QCIONPGXDOIDJK-CJNGLKHVSA-N	1	0	370.432	1.856	20	30		FDEDRO
COc1ncc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)C#CC2CC2)c(C)n1	ZINC001087164073	778103711	/nfs/dbraw/zinc/10/37/11/778103711.db2.gz	GUCVUFQRYKZIGF-KDOFPFPSSA-N	1	0	356.470	1.924	20	30		FDEDRO
COc1ccc(C[C@](C)(CO)[NH2+]CC(=O)NCc2cccc(C#N)c2)cc1	ZINC000933425441	778103927	/nfs/dbraw/zinc/10/39/27/778103927.db2.gz	MXSHGQRYKDBDAZ-OAQYLSRUSA-N	1	0	367.449	1.766	20	30		FDEDRO
C[C@](CO)(Cc1ccccc1F)[NH2+]C[C@@H](O)CC1(C#N)CCOCC1	ZINC000933430562	778110725	/nfs/dbraw/zinc/11/07/25/778110725.db2.gz	OHYBDSFATZJORU-FUHWJXTLSA-N	1	0	350.434	1.780	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N3CCC[C@H]4[NH2+]CC[C@H]43)CC2)nc1	ZINC000891498807	778146981	/nfs/dbraw/zinc/14/69/81/778146981.db2.gz	MHQVBYNIKQSBPT-IAGOWNOFSA-N	1	0	354.458	1.458	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1	ZINC000891499430	778147705	/nfs/dbraw/zinc/14/77/05/778147705.db2.gz	JDILUVVLGVGGIA-KRWDZBQOSA-N	1	0	358.442	1.547	20	30		FDEDRO
CCC1([NH3+])CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1	ZINC000891499989	778150858	/nfs/dbraw/zinc/15/08/58/778150858.db2.gz	NFCIIBMJQDDKLK-UHFFFAOYSA-N	1	0	356.474	1.835	20	30		FDEDRO
C[C@@]1(C#N)CN(C(=O)NCC2(N3CCOCC3)CCCCC2)CCO1	ZINC000891502008	778157773	/nfs/dbraw/zinc/15/77/73/778157773.db2.gz	SZYOELKXCAZOIN-QGZVFWFLSA-N	1	0	350.463	1.346	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnn(CCF)c2)C[C@H]1C	ZINC001104373515	778299855	/nfs/dbraw/zinc/29/98/55/778299855.db2.gz	UOAKWFVRDMWMRB-HZPDHXFCSA-N	1	0	350.438	1.190	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)CC2)o1	ZINC000276606423	778375985	/nfs/dbraw/zinc/37/59/85/778375985.db2.gz	OYBIFSKKXGTTQE-DOMZBBRYSA-N	1	0	357.458	1.813	20	30		FDEDRO
CC(C)[NH+]1CCN(C2CCN(C(=O)N[C@H](C)c3cnn(C)c3)CC2)CC1	ZINC000328831907	778444764	/nfs/dbraw/zinc/44/47/64/778444764.db2.gz	KMGBUHZKIRFNFB-MRXNPFEDSA-N	1	0	362.522	1.886	20	30		FDEDRO
C[C@@H]1CCN(C(=O)Cn2ncnn2)[C@H](C[NH2+]Cc2ccc(C#N)cc2F)C1	ZINC001087166962	778637024	/nfs/dbraw/zinc/63/70/24/778637024.db2.gz	LXOIEKXDFDSWRW-CJNGLKHVSA-N	1	0	371.420	1.101	20	30		FDEDRO
CC(C)(C#N)C(=O)n1c2ncnc-2c(OCc2ccc(C[NH3+])cc2)nc1N	ZINC001143403901	778901336	/nfs/dbraw/zinc/90/13/36/778901336.db2.gz	TUJXTDPRZJXVBZ-UHFFFAOYSA-N	1	0	365.397	1.467	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C)nc4n[nH]c(C)c43)[C@H]2C1	ZINC001083224262	779036656	/nfs/dbraw/zinc/03/66/56/779036656.db2.gz	OWEIUSAMTMPISP-JKSUJKDBSA-N	1	0	355.442	1.676	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2c[nH]nc2CC)C[C@H]1C	ZINC001104379065	779102713	/nfs/dbraw/zinc/10/27/13/779102713.db2.gz	WFODITFRUSYARK-RBSFLKMASA-N	1	0	361.490	1.351	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)C[N@H+]4CCC[C@@H]4C)C[C@H]32)cn1	ZINC001022294306	779192311	/nfs/dbraw/zinc/19/23/11/779192311.db2.gz	BFTAFAZUFYFPQQ-VDZJLULYSA-N	1	0	366.465	1.220	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]32)cn1	ZINC001022294427	779193931	/nfs/dbraw/zinc/19/39/31/779193931.db2.gz	GQVPYKXFBQPMGJ-UHOSZYNNSA-N	1	0	368.481	1.322	20	30		FDEDRO
CCN(C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CC[NH2+]C1	ZINC000891764706	779304075	/nfs/dbraw/zinc/30/40/75/779304075.db2.gz	LCPNMZFNSIHBIP-IRXDYDNUSA-N	1	0	355.442	1.447	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C)NC(C)=O)C[C@H]1c1ccccc1	ZINC001211524418	779309351	/nfs/dbraw/zinc/30/93/51/779309351.db2.gz	JXBWCTRKJSUYBK-ZYSHUDEJSA-N	1	0	359.470	1.298	20	30		FDEDRO
O=C(CNC(=O)NCc1ccc(F)cc1)N1CCC[C@@H]([NH+]2CCCC2)C1	ZINC000328952312	779479765	/nfs/dbraw/zinc/47/97/65/779479765.db2.gz	NTQZXFXZPRBMIS-QGZVFWFLSA-N	1	0	362.449	1.916	20	30		FDEDRO
C[NH+]1CCN(Cc2ccc(CNC(=O)N3CCO[C@](C)(C#N)C3)cc2)CC1	ZINC000891811361	779532082	/nfs/dbraw/zinc/53/20/82/779532082.db2.gz	CVNXZWTTWMVPJP-HXUWFJFHSA-N	1	0	371.485	1.258	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cnc(OC)nc1C	ZINC001111490156	779721238	/nfs/dbraw/zinc/72/12/38/779721238.db2.gz	WHPJDDWPSZMTKY-SVGFKBNWSA-N	1	0	360.458	1.606	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)c2sccc2-n2cnnn2)C[C@H]1C	ZINC001104384798	779726965	/nfs/dbraw/zinc/72/69/65/779726965.db2.gz	JIPXURHPNDCSSZ-ZIAGYGMSSA-N	1	0	360.487	1.988	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@]34CCC[C@@H]3[NH2+]CC4)C2=O)cc1	ZINC000891851773	779754904	/nfs/dbraw/zinc/75/49/04/779754904.db2.gz	PGPDGYLQWQMKQS-ZWOKBUDYSA-N	1	0	367.453	1.243	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCSC)C[C@H]1c1ccccc1	ZINC001211527880	780266923	/nfs/dbraw/zinc/26/69/23/780266923.db2.gz	CZCCZXKMMJKAOL-DLBZAZTESA-N	1	0	359.495	1.073	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C[C@H]2O)CC1	ZINC001025490875	790840456	/nfs/dbraw/zinc/84/04/56/790840456.db2.gz	JIFFPQUKPKLDDW-FGTMMUONSA-N	1	0	363.502	1.295	20	30		FDEDRO
C[C@@H](CC[NH+](C)C)NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000277173878	780983964	/nfs/dbraw/zinc/98/39/64/780983964.db2.gz	JJBWFCIIYSPIEL-YOEHRIQHSA-N	1	0	357.458	1.299	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnc3sccn3c2=O)C[C@H]1C	ZINC001104396140	781140176	/nfs/dbraw/zinc/14/01/76/781140176.db2.gz	BLURUPJEKTZAEP-ZIAGYGMSSA-N	1	0	358.467	1.467	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@H]1C	ZINC001104398669	781701552	/nfs/dbraw/zinc/70/15/52/781701552.db2.gz	WOVAIUIGARLNAF-BRWVUGGUSA-N	1	0	366.506	1.054	20	30		FDEDRO
C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C	ZINC000472120605	781712214	/nfs/dbraw/zinc/71/22/14/781712214.db2.gz	SBHRCOSIGVXLGV-KXBFYZLASA-N	1	0	366.506	1.390	20	30		FDEDRO
CNS(=O)(=O)Cc1ccc2c(c1)c(CC[NH3+])cn2C#C[Si](C)(C)C	ZINC001167529575	781807269	/nfs/dbraw/zinc/80/72/69/781807269.db2.gz	COVPIINRRNGEJS-UHFFFAOYSA-N	1	0	363.559	1.878	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cnnn2C)cc1	ZINC001087197508	781850827	/nfs/dbraw/zinc/85/08/27/781850827.db2.gz	SLKLRGNLQKUQIM-QAPCUYQASA-N	1	0	351.454	1.827	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cccc(C#N)c2)C1	ZINC000972342679	783359246	/nfs/dbraw/zinc/35/92/46/783359246.db2.gz	MDKPVNBOLUFQOJ-KSZLIROESA-N	1	0	354.454	1.315	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)c1	ZINC000892287588	783463786	/nfs/dbraw/zinc/46/37/86/783463786.db2.gz	QEHGBKQEUKQJKG-HNNXBMFYSA-N	1	0	363.421	1.938	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@H]2O)C1	ZINC001025542754	790976793	/nfs/dbraw/zinc/97/67/93/790976793.db2.gz	YANLUDSYJVFFEU-BRWVUGGUSA-N	1	0	363.502	1.294	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3nc4nc(C)cc(C)n4n3)[C@H]2C1	ZINC001083265938	783898491	/nfs/dbraw/zinc/89/84/91/783898491.db2.gz	ZENCLZMERIBCIU-JKSUJKDBSA-N	1	0	370.457	1.233	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1	ZINC001024157509	784026526	/nfs/dbraw/zinc/02/65/26/784026526.db2.gz	MKDFSLXECKCDME-GVDBMIGSSA-N	1	0	363.502	1.294	20	30		FDEDRO
C=CCn1cc(C(=O)Nc2ccc(C(=O)NCC[NH+](CC)CC)cc2)nn1	ZINC000648214975	784098595	/nfs/dbraw/zinc/09/85/95/784098595.db2.gz	JVWRDSCOSZLOFI-UHFFFAOYSA-N	1	0	370.457	1.788	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2nc(C3CC3)no2)C1	ZINC001024165513	784173600	/nfs/dbraw/zinc/17/36/00/784173600.db2.gz	QGDPQURILFIUOK-BMFZPTHFSA-N	1	0	360.458	1.866	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCc1cnn(C)c1	ZINC001024443031	784701131	/nfs/dbraw/zinc/70/11/31/784701131.db2.gz	BCTDQQUWFIKFQW-OTWHNJEPSA-N	1	0	360.502	1.915	20	30		FDEDRO
N#CCSc1ccccc1NC(=O)CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000375797944	784903741	/nfs/dbraw/zinc/90/37/41/784903741.db2.gz	VXDSGZIDEMSEMH-IAGOWNOFSA-N	1	0	374.510	1.772	20	30		FDEDRO
Cn1cc(CCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC#Cc2ccccc2)nn1	ZINC001111519072	784918022	/nfs/dbraw/zinc/91/80/22/784918022.db2.gz	PAROGFBBCBGWTR-AQNXPRMDSA-N	1	0	363.465	1.521	20	30		FDEDRO
CC1CC[NH+](CCNC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1	ZINC000364388738	785044893	/nfs/dbraw/zinc/04/48/93/785044893.db2.gz	SSWXNMIAFAFJCF-IBGZPJMESA-N	1	0	368.481	1.897	20	30		FDEDRO
Cn1cc(C(=O)NC2CC[NH+](CCCOc3cccc(C#N)c3)CC2)cn1	ZINC000364439445	785052614	/nfs/dbraw/zinc/05/26/14/785052614.db2.gz	DNSXVMZNJILEDE-UHFFFAOYSA-N	1	0	367.453	1.955	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CCC)C2)cc1	ZINC000658779543	785169129	/nfs/dbraw/zinc/16/91/29/785169129.db2.gz	QYKDMVNTCCIZCR-MRXNPFEDSA-N	1	0	373.457	1.533	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1	ZINC000658803306	785429308	/nfs/dbraw/zinc/42/93/08/785429308.db2.gz	RMHQNQODRUEZCW-QGZVFWFLSA-N	1	0	373.453	1.559	20	30		FDEDRO
CC(C)(O)C[N@@H+]1CCCN(C(=O)NCCOc2ccc(C#N)cc2)CC1	ZINC000375977472	785442163	/nfs/dbraw/zinc/44/21/63/785442163.db2.gz	ZWBDHXPZFSPAMY-UHFFFAOYSA-N	1	0	360.458	1.425	20	30		FDEDRO
C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1	ZINC001024650333	785617173	/nfs/dbraw/zinc/61/71/73/785617173.db2.gz	AJHNJJILRZKIPJ-BBWFWOEESA-N	1	0	351.491	1.559	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1	ZINC000936116640	787285055	/nfs/dbraw/zinc/28/50/55/787285055.db2.gz	OUERQWZDCBLYDV-KURKYZTESA-N	1	0	363.502	1.415	20	30		FDEDRO
CC1(C)CN(CCNC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)CCO1	ZINC000892606098	787645084	/nfs/dbraw/zinc/64/50/84/787645084.db2.gz	XZFUDDCCZLMFNJ-GOSISDBHSA-N	1	0	372.469	1.752	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCc3ccnn3C)C[C@H]21	ZINC000978840631	805809400	/nfs/dbraw/zinc/80/94/00/805809400.db2.gz	MOVHXQYOLBJOKV-FKSLSLAPSA-N	1	0	358.486	1.238	20	30		FDEDRO
Cc1nn(C)c(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1C#N	ZINC000892616964	787740658	/nfs/dbraw/zinc/74/06/58/787740658.db2.gz	QPQGIBOBOABXRH-NVXWUHKLSA-N	1	0	369.473	1.786	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC(=C)C)NC(C)=O)C[C@H]1c1ccccc1	ZINC001211684342	805825340	/nfs/dbraw/zinc/82/53/40/805825340.db2.gz	SQGDZKWQMSCUGL-SLFFLAALSA-N	1	0	353.466	1.675	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C)C2)C[C@H]1c1ccccc1	ZINC001211684416	805827194	/nfs/dbraw/zinc/82/71/94/805827194.db2.gz	XJSFPELAVOHRIQ-YSIASYRMSA-N	1	0	367.493	1.852	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCOCC2)C1	ZINC001104563813	787932170	/nfs/dbraw/zinc/93/21/70/787932170.db2.gz	VWPXBXUNCGWLKG-KZNAEPCWSA-N	1	0	365.518	1.522	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H]3CCN(C(=O)C4=COCCO4)[C@@H]3C2)cc1F	ZINC001075515905	787936246	/nfs/dbraw/zinc/93/62/46/787936246.db2.gz	IVIWIDYAOOQHRU-DOTOQJQBSA-N	1	0	357.385	1.618	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1	ZINC000659082792	787961747	/nfs/dbraw/zinc/96/17/47/787961747.db2.gz	IDHIKDGOXVGRKY-NJAFHUGGSA-N	1	0	373.453	1.383	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)C[C@H]1C	ZINC001104573134	788179158	/nfs/dbraw/zinc/17/91/58/788179158.db2.gz	IYVBKORHKGJBIF-MDZRGWNJSA-N	1	0	351.491	1.180	20	30		FDEDRO
CN1CCN(Cc2ccccc2)[C@H](C[NH2+]C[C@H](O)c2ccc(C#N)cc2)C1	ZINC000694783943	788310980	/nfs/dbraw/zinc/31/09/80/788310980.db2.gz	XGRQAOJYOBTFHH-YADHBBJMSA-N	1	0	364.493	1.997	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)O[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000923789103	788432955	/nfs/dbraw/zinc/43/29/55/788432955.db2.gz	PTXCFGSGOBQJKL-GOSISDBHSA-N	1	0	371.437	1.708	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1	ZINC000973267721	788459241	/nfs/dbraw/zinc/45/92/41/788459241.db2.gz	XJMZQPNCTOCPTB-ZKXLYKBJSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1	ZINC000973316501	788535039	/nfs/dbraw/zinc/53/50/39/788535039.db2.gz	ZUAGMWWNPVFWTP-XSLAGTTESA-N	1	0	363.502	1.463	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CCCC2(F)F)C[C@H]1C	ZINC001104589057	788759489	/nfs/dbraw/zinc/75/94/89/788759489.db2.gz	TYHCMTLEUHLWHG-OAGGEKHMSA-N	1	0	369.456	1.636	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cccc(F)c2F)C[C@H]1C	ZINC001104598120	788801844	/nfs/dbraw/zinc/80/18/44/788801844.db2.gz	RJHQRZXZIGPAQS-ZIAGYGMSSA-N	1	0	365.424	1.955	20	30		FDEDRO
Cc1ccc(C)c(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)c1	ZINC001104625504	788980003	/nfs/dbraw/zinc/98/00/03/788980003.db2.gz	PUQBROMUOPAXJO-QZTJIDSGSA-N	1	0	370.497	1.560	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1c1ccccc1	ZINC001211688412	805926273	/nfs/dbraw/zinc/92/62/73/805926273.db2.gz	WVIDUNIRHFFMOY-DLBZAZTESA-N	1	0	355.438	1.200	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCNC2=O)C1	ZINC001104631454	789059442	/nfs/dbraw/zinc/05/94/42/789059442.db2.gz	NSVUPBYPNVBLEB-GPMSIDNRSA-N	1	0	350.507	1.688	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1	ZINC000973461267	789085816	/nfs/dbraw/zinc/08/58/16/789085816.db2.gz	QMDVAQRWWYJNKX-HSFUPAIVSA-N	1	0	361.486	1.215	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]C[C@@H](O)COCCOC)C2)C1	ZINC001104652189	789174755	/nfs/dbraw/zinc/17/47/55/789174755.db2.gz	IPAVKPLCLQDSFD-KZNAEPCWSA-N	1	0	368.518	1.441	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](C)c3nnc(C)[nH]3)C2)c1	ZINC001104659675	789181842	/nfs/dbraw/zinc/18/18/42/789181842.db2.gz	SNIWVKDUFWCTLP-JKIFEVAISA-N	1	0	366.469	1.938	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCc2cc(C)on2)C[C@H]1C	ZINC001104664469	789228763	/nfs/dbraw/zinc/22/87/63/789228763.db2.gz	KLZRRFVFAIXKBE-GDBMZVCRSA-N	1	0	362.474	1.292	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1)c1cccs1	ZINC001104669985	789277948	/nfs/dbraw/zinc/27/79/48/789277948.db2.gz	MHLYFYDEAIBNGE-QLFBSQMISA-N	1	0	362.499	1.566	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ocnc2C2CC2)C[C@H]1C	ZINC001104674872	789293609	/nfs/dbraw/zinc/29/36/09/789293609.db2.gz	HMWQCOCCWDUBSO-UKRRQHHQSA-N	1	0	360.458	1.542	20	30		FDEDRO
O=C(NCCOC(F)(F)C(F)(F)F)NC[C@@H]1C[NH2+]CCC1(F)F	ZINC000892703382	789525304	/nfs/dbraw/zinc/52/53/04/789525304.db2.gz	JGCFVDKKBGWRJL-ZETCQYMHSA-N	1	0	355.254	1.702	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C(C)C)C1	ZINC001104704177	789552848	/nfs/dbraw/zinc/55/28/48/789552848.db2.gz	LIUHUBVTTRVDAS-TVFCKZIOSA-N	1	0	365.518	1.519	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCC(F)F)C1	ZINC001104704221	789552972	/nfs/dbraw/zinc/55/29/72/789552972.db2.gz	MYONVHJUFPIARC-FPCVCCKLSA-N	1	0	360.445	1.933	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@H]1C	ZINC001104711648	789650412	/nfs/dbraw/zinc/65/04/12/789650412.db2.gz	VEHSSENHPOQEPK-CHWSQXEVSA-N	1	0	361.408	1.705	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104711545	789650512	/nfs/dbraw/zinc/65/05/12/789650512.db2.gz	OQNWQHVKGNSYFO-VXGBXAGGSA-N	1	0	360.380	1.043	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cn1	ZINC000979075861	806020809	/nfs/dbraw/zinc/02/08/09/806020809.db2.gz	BOCFIEJHDCYFIV-KLIQENQMSA-N	1	0	368.481	1.418	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2c(C)nn(C)c2OC)C[C@H]1C	ZINC001104744471	791201724	/nfs/dbraw/zinc/20/17/24/791201724.db2.gz	NPOFDEVTOMFLGK-GDBMZVCRSA-N	1	0	362.474	1.075	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CCN1CCC[C@H]1C[N@H+]1CCC[C@H]1CO	ZINC000377317968	791530658	/nfs/dbraw/zinc/53/06/58/791530658.db2.gz	SOJZVOHTKBWMDP-ROUUACIJSA-N	1	0	356.470	1.808	20	30		FDEDRO
CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCCc1cccc(C#N)c1	ZINC000415203871	791652198	/nfs/dbraw/zinc/65/21/98/791652198.db2.gz	UHUYTOXPZXWRJG-UHFFFAOYSA-N	1	0	350.422	1.965	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)OC(C)(C)C)CCO2	ZINC000926862867	791674058	/nfs/dbraw/zinc/67/40/58/791674058.db2.gz	BFEPTLGRNLEGPW-IBGZPJMESA-N	1	0	367.490	1.733	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)COC[C@H]2CCOC2)C[C@H]1C	ZINC001104746364	791683630	/nfs/dbraw/zinc/68/36/30/791683630.db2.gz	GMXRHNGVOHHPCY-FGTMMUONSA-N	1	0	354.491	1.316	20	30		FDEDRO
CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCc1ccc(C#N)c(OC)c1	ZINC000415241261	791723500	/nfs/dbraw/zinc/72/35/00/791723500.db2.gz	RUGIPJUEHRZNOZ-UHFFFAOYSA-N	1	0	366.421	1.931	20	30		FDEDRO
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)c1C	ZINC000415320367	791914493	/nfs/dbraw/zinc/91/44/93/791914493.db2.gz	VWEFGWLYIZXJJC-HNNXBMFYSA-N	1	0	366.425	1.168	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000377526880	792122634	/nfs/dbraw/zinc/12/26/34/792122634.db2.gz	HHRFDCMZALDHEZ-HOTGVXAUSA-N	1	0	366.506	1.304	20	30		FDEDRO
C[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1	ZINC000415400271	792192895	/nfs/dbraw/zinc/19/28/95/792192895.db2.gz	NUBUNUBFVLWJJI-UHFFFAOYSA-N	1	0	358.442	1.742	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1	ZINC000415445146	792280373	/nfs/dbraw/zinc/28/03/73/792280373.db2.gz	OVJZADLGYKELEO-LSDHHAIUSA-N	1	0	358.442	1.893	20	30		FDEDRO
C[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)[C@H](C[NH3+])C1	ZINC000415446585	792283029	/nfs/dbraw/zinc/28/30/29/792283029.db2.gz	HJPVDWPUMDPYGL-OCCSQVGLSA-N	1	0	356.405	2.474	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000377638693	792388938	/nfs/dbraw/zinc/38/89/38/792388938.db2.gz	DQHPZEDEJXJCPQ-LPHOPBHVSA-N	1	0	370.497	1.952	20	30		FDEDRO
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCC1C[NH2+]C1	ZINC000415534117	792466716	/nfs/dbraw/zinc/46/67/16/792466716.db2.gz	JEPYSHZPNYXAKO-UHFFFAOYSA-N	1	0	364.405	1.933	20	30		FDEDRO
C=C(C)C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)C(=O)OCC	ZINC000893548274	806161472	/nfs/dbraw/zinc/16/14/72/806161472.db2.gz	PWYGOEPLXQCBKC-ZACQAIPSSA-N	1	0	362.474	1.470	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1	ZINC000415578691	792589589	/nfs/dbraw/zinc/58/95/89/792589589.db2.gz	IWTAKTGCKDIVDZ-ARFHVFGLSA-N	1	0	370.453	1.870	20	30		FDEDRO
N#CC1(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)COC1	ZINC000893041635	792622488	/nfs/dbraw/zinc/62/24/88/792622488.db2.gz	MMUBJWKBLIPEQO-PXNSSMCTSA-N	1	0	356.422	1.608	20	30		FDEDRO
C[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1	ZINC000415602763	792662494	/nfs/dbraw/zinc/66/24/94/792662494.db2.gz	SRQQPGKADPBFLX-GFCCVEGCSA-N	1	0	368.441	1.443	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cc1	ZINC000415669386	792781184	/nfs/dbraw/zinc/78/11/84/792781184.db2.gz	BQFNITBFKOEGRC-INIZCTEOSA-N	1	0	372.469	1.435	20	30		FDEDRO
N#CCc1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1	ZINC000377809707	792828703	/nfs/dbraw/zinc/82/87/03/792828703.db2.gz	RWPRRFKRPGIVTG-RYQLBKOJSA-N	1	0	352.438	1.634	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N(CCC[NH3+])CC2CCCC2)n1	ZINC000415706991	792843962	/nfs/dbraw/zinc/84/39/62/792843962.db2.gz	FFCIUIKWSUBMPZ-UHFFFAOYSA-N	1	0	360.462	1.642	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1	ZINC000415736479	792901451	/nfs/dbraw/zinc/90/14/51/792901451.db2.gz	BQMAXOWDEWBBJD-KGLIPLIRSA-N	1	0	371.441	1.001	20	30		FDEDRO
N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1	ZINC000415762813	792941257	/nfs/dbraw/zinc/94/12/57/792941257.db2.gz	PSAOMAWPILLFNW-VQFNDLOPSA-N	1	0	362.389	1.623	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1C(F)(F)F	ZINC000415774250	792957327	/nfs/dbraw/zinc/95/73/27/792957327.db2.gz	XYHDWUIOVXEMLZ-FZMZJTMJSA-N	1	0	366.343	1.726	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)cc1C#N	ZINC000415774051	792958353	/nfs/dbraw/zinc/95/83/53/792958353.db2.gz	XJGNFFBSWCXVAK-UHFFFAOYSA-N	1	0	370.453	1.886	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c1	ZINC000415809386	793036921	/nfs/dbraw/zinc/03/69/21/793036921.db2.gz	UDVITOZXUVWNEY-AEFFLSMTSA-N	1	0	355.442	1.635	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc1C#N	ZINC000415837861	793108283	/nfs/dbraw/zinc/10/82/83/793108283.db2.gz	CVYFCGLRBNOYJP-DZGCQCFKSA-N	1	0	358.442	1.727	20	30		FDEDRO
CCc1ccccc1[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(C#N)ccc1OC	ZINC000415846463	793147659	/nfs/dbraw/zinc/14/76/59/793147659.db2.gz	SXAKLNHNZQGZLD-INIZCTEOSA-N	1	0	366.421	1.884	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN([C@@H](C)c3nnc(C)s3)C[C@H]21	ZINC001026101721	793301883	/nfs/dbraw/zinc/30/18/83/793301883.db2.gz	BYAXWMUIWSJKSR-WEQZMPKESA-N	1	0	362.499	1.935	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1	ZINC000415902425	793351485	/nfs/dbraw/zinc/35/14/85/793351485.db2.gz	YHYJSLOPUMTGHS-UONOGXRCSA-N	1	0	371.441	1.001	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2ccccc2F)[C@H](NC(=O)Cc2c[nH]cn2)C1	ZINC001026121613	793405125	/nfs/dbraw/zinc/40/51/25/793405125.db2.gz	ZJRSMJYORZTSHM-YLQAJVPDSA-N	1	0	369.400	1.362	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)n1	ZINC000378029625	793420405	/nfs/dbraw/zinc/42/04/05/793420405.db2.gz	VCRSANVRFCWNMB-IBGZPJMESA-N	1	0	364.465	1.704	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccccc1OCCN1CC[NH2+]CC1	ZINC000416030812	793513764	/nfs/dbraw/zinc/51/37/64/793513764.db2.gz	RJLNISAPJUFENK-SJORKVTESA-N	1	0	360.458	1.436	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ncccn3)C2)nn1	ZINC001104769343	793556308	/nfs/dbraw/zinc/55/63/08/793556308.db2.gz	QHAOSHPLNNTKRU-HUUCEWRRSA-N	1	0	355.446	1.142	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C)C2)cc1	ZINC001104768571	793563105	/nfs/dbraw/zinc/56/31/05/793563105.db2.gz	PXCVCNYZRIJMOK-SJLPKXTDSA-N	1	0	371.481	1.475	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCc2cn[nH]c2)C[C@H]1C	ZINC001104772191	793566420	/nfs/dbraw/zinc/56/64/20/793566420.db2.gz	WBLRLXLTDKJVLP-BFYDXBDKSA-N	1	0	361.490	1.107	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1	ZINC001104785984	793653298	/nfs/dbraw/zinc/65/32/98/793653298.db2.gz	LOFDXNQMWNXYNQ-ATZDWAIDSA-N	1	0	368.481	1.801	20	30		FDEDRO
C=C(Br)C[NH2+]CC[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1C	ZINC001104832665	793963387	/nfs/dbraw/zinc/96/33/87/793963387.db2.gz	MVEAGKQFGFPRKP-DGCLKSJQSA-N	1	0	371.283	1.046	20	30		FDEDRO
CCC(CC)(CC)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104839273	793992482	/nfs/dbraw/zinc/99/24/82/793992482.db2.gz	RHMNGKVNPZCAMN-HZPDHXFCSA-N	1	0	350.507	1.917	20	30		FDEDRO
CCc1c[nH]c(=O)c(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C2)c1	ZINC001104856919	794085589	/nfs/dbraw/zinc/08/55/89/794085589.db2.gz	LPLGLOGHMWQUDP-NVXWUHKLSA-N	1	0	359.470	1.687	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)COCc2ncnn2C)C[C@H]1C	ZINC001104857090	794086278	/nfs/dbraw/zinc/08/62/78/794086278.db2.gz	SVVAKRGMAPEGHK-IXDOHACOSA-N	1	0	363.506	1.761	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)CCOC)C[C@H]1C	ZINC001104858691	794092410	/nfs/dbraw/zinc/09/24/10/794092410.db2.gz	MJXSFVRHYNBQPV-IXDOHACOSA-N	1	0	365.518	1.261	20	30		FDEDRO
C[C@@H]1COCC[N@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000378445988	794145755	/nfs/dbraw/zinc/14/57/55/794145755.db2.gz	VZNNHIVRXWUXES-QFBILLFUSA-N	1	0	374.460	1.503	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1	ZINC000378450393	794162608	/nfs/dbraw/zinc/16/26/08/794162608.db2.gz	IDEJPLCZYKPZEO-HOCLYGCPSA-N	1	0	356.426	1.448	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC2(C[C@H]2C(=O)N(C)C2CC2)CC1	ZINC000378465530	794181961	/nfs/dbraw/zinc/18/19/61/794181961.db2.gz	WUHQACXVTOQUJJ-RDJZCZTQSA-N	1	0	360.502	1.717	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cc3c([nH]2)CCC3)C[C@H]1C	ZINC001104898706	794295110	/nfs/dbraw/zinc/29/51/10/794295110.db2.gz	RBQQDOMMQHAKEL-BFYDXBDKSA-N	1	0	370.497	1.329	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CNC(=O)C2CCOCC2)C[C@H]1c1ccccc1	ZINC001211690646	806324183	/nfs/dbraw/zinc/32/41/83/806324183.db2.gz	GRXDIPSHQFBTIF-RBUKOAKNSA-N	1	0	371.481	1.299	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@@H](C)n2cccc2)C[C@H]1C	ZINC001104926995	794426147	/nfs/dbraw/zinc/42/61/47/794426147.db2.gz	NSERCLXCAJWJDP-KZNAEPCWSA-N	1	0	358.486	1.263	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N[C@H](C)CC)C2)cn1	ZINC001104927841	794436281	/nfs/dbraw/zinc/43/62/81/794436281.db2.gz	XGHNFQLYEUIGLJ-JFIYKMOQSA-N	1	0	370.497	1.665	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@H]1C	ZINC001104932114	794448004	/nfs/dbraw/zinc/44/80/04/794448004.db2.gz	DUAMLNDFLDPSOS-CHWSQXEVSA-N	1	0	361.408	1.399	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(Cl)cn2)C[C@H]1C	ZINC001104931526	794460517	/nfs/dbraw/zinc/46/05/17/794460517.db2.gz	XZBNTLITOQCQRZ-ZIAGYGMSSA-N	1	0	364.877	1.725	20	30		FDEDRO
CC#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cnn(C)c2N)C1	ZINC001087426285	806338029	/nfs/dbraw/zinc/33/80/29/806338029.db2.gz	VIVQVCDJAIDSEC-SJLPKXTDSA-N	1	0	351.454	1.614	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C[C@H]1C	ZINC001104952171	794535804	/nfs/dbraw/zinc/53/58/04/794535804.db2.gz	JIUVZAHUTBREGZ-INMHGKMJSA-N	1	0	357.520	1.109	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC)C1	ZINC001104954726	794553474	/nfs/dbraw/zinc/55/34/74/794553474.db2.gz	PPOGRMQIFKLQEW-GPMSIDNRSA-N	1	0	355.482	1.419	20	30		FDEDRO
C#CCCCNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1	ZINC000173518905	794633783	/nfs/dbraw/zinc/63/37/83/794633783.db2.gz	NKJFJFWHVABPIU-UHFFFAOYSA-N	1	0	368.481	1.687	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)Cn2c(C)csc2=O)C[C@H]1C	ZINC001104998840	794807030	/nfs/dbraw/zinc/80/70/30/794807030.db2.gz	WUEAMQZRYHYANG-GDBMZVCRSA-N	1	0	367.515	1.495	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C[C@H]1C	ZINC001104997368	794810143	/nfs/dbraw/zinc/81/01/43/794810143.db2.gz	ZJXNXHPBRCPBPS-KZNAEPCWSA-N	1	0	359.514	1.875	20	30		FDEDRO
CC(C)C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC001105001404	794841178	/nfs/dbraw/zinc/84/11/78/794841178.db2.gz	HUXOCPFRUHVZRI-IJEWVQPXSA-N	1	0	360.462	1.010	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C3CC3)cc2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001105044774	795051431	/nfs/dbraw/zinc/05/14/31/795051431.db2.gz	BENDCTCUYWLOTK-DNVCBOLYSA-N	1	0	368.481	1.892	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1CC[NH2+]CC(=O)N(C)C	ZINC001105044912	795051801	/nfs/dbraw/zinc/05/18/01/795051801.db2.gz	INRYXBHYUVCESP-IEBWSBKVSA-N	1	0	355.482	1.591	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1	ZINC000979582813	806382268	/nfs/dbraw/zinc/38/22/68/806382268.db2.gz	QWMHAWIMOLVCTH-TXTZMMAHSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=CCc1cc(CNC(=O)NC[C@@H]2C[NH2+]CCN2C)cc(OC)c1OC	ZINC000417381037	795174519	/nfs/dbraw/zinc/17/45/19/795174519.db2.gz	HYPLKAQYBNKXLW-INIZCTEOSA-N	1	0	362.474	1.135	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCN2C(C)=O)C[C@H]1C	ZINC001105079482	795176880	/nfs/dbraw/zinc/17/68/80/795176880.db2.gz	QYOVUKXNQTZFMR-KBAYOESNSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCCO2)C[C@H]1C	ZINC001105111639	795323534	/nfs/dbraw/zinc/32/35/34/795323534.db2.gz	JBJGCRGIVVABIE-ZACQAIPSSA-N	1	0	351.491	1.322	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2	ZINC000893318727	795384025	/nfs/dbraw/zinc/38/40/25/795384025.db2.gz	OJIXPIZFCXPCSZ-KBPBESRZSA-N	1	0	353.463	1.341	20	30		FDEDRO
N#Cc1cccc(C[NH2+]C2CCC(NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)c1	ZINC001026561718	795547913	/nfs/dbraw/zinc/54/79/13/795547913.db2.gz	SNOBQZPQAYMQCY-SMVLHYPJSA-N	1	0	368.481	1.977	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCC([NH2+]CCc2ccnn2C)CC1	ZINC001026575359	795573762	/nfs/dbraw/zinc/57/37/62/795573762.db2.gz	NLIHLVCOJRNSIU-VHZYLWGESA-N	1	0	360.502	1.961	20	30		FDEDRO
O=C(NCC#Cc1cccc(F)c1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1	ZINC000418152645	795586564	/nfs/dbraw/zinc/58/65/64/795586564.db2.gz	HNWZKASITGKTAJ-MJGOQNOKSA-N	1	0	372.444	1.123	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1C(F)(F)F	ZINC001112090497	795608112	/nfs/dbraw/zinc/60/81/12/795608112.db2.gz	JRBYBMRQLWOSKY-IJLUTSLNSA-N	1	0	361.364	1.926	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1	ZINC000297467449	795701225	/nfs/dbraw/zinc/70/12/25/795701225.db2.gz	LIBBBQSFJMXSIS-LJQANCHMSA-N	1	0	353.470	1.361	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)NCCCN3CC[NH2+]CC3)CC2)cc1	ZINC000418289204	795710801	/nfs/dbraw/zinc/71/08/01/795710801.db2.gz	CQKBLCZGXCMEKT-UHFFFAOYSA-N	1	0	353.470	1.652	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)N2CCC2)C1	ZINC001211655558	795717083	/nfs/dbraw/zinc/71/70/83/795717083.db2.gz	NXKKZMNXZQSUHE-VQTJNVASSA-N	1	0	367.493	1.997	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](c2ccccc2)[C@H](NCc2nnnn2C)C1	ZINC001211657584	795891864	/nfs/dbraw/zinc/89/18/64/795891864.db2.gz	JKFJQMBLAPOTLC-BPQIPLTHSA-N	1	0	368.485	1.897	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NC[C@H]([NH3+])c3ccccc3)CC2)nc1	ZINC000418446350	795932222	/nfs/dbraw/zinc/93/22/22/795932222.db2.gz	IBAKEIZRGWDFFN-KRWDZBQOSA-N	1	0	350.426	1.485	20	30		FDEDRO
CCCC[C@H](C[NH3+])NC(=O)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000418461772	795947322	/nfs/dbraw/zinc/94/73/22/795947322.db2.gz	JMIVFLMEENLERM-LPMFXHHGSA-N	1	0	355.442	1.559	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)CC1	ZINC000364425692	795977033	/nfs/dbraw/zinc/97/70/33/795977033.db2.gz	NPDAZDOGJITIQB-IBGZPJMESA-N	1	0	371.525	1.973	20	30		FDEDRO
N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCC2([NH3+])CCC2)CC1	ZINC000418527094	796089918	/nfs/dbraw/zinc/08/99/18/796089918.db2.gz	OWUBUXOMYVAEFW-UHFFFAOYSA-N	1	0	370.413	1.519	20	30		FDEDRO
C=CCCCCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3OCC[C@H]3C)C2)nn1	ZINC001105330282	796149442	/nfs/dbraw/zinc/14/94/42/796149442.db2.gz	ZBAYDDAHVZWYBJ-QAPCUYQASA-N	1	0	361.490	1.922	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cnn(CC)n2)C1	ZINC001087427282	806507775	/nfs/dbraw/zinc/50/77/75/806507775.db2.gz	VBEJYFMRVBVMKK-IEBWSBKVSA-N	1	0	351.454	1.909	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000979864702	806551239	/nfs/dbraw/zinc/55/12/39/806551239.db2.gz	UZUABIYDSWESCN-NZUILWFCSA-N	1	0	357.458	1.241	20	30		FDEDRO
C=CC[C@@]1(C(=O)Nc2ccc(OC)c(OCC(=O)NC3CC3)c2)CCC[NH2+]1	ZINC000662479029	806725239	/nfs/dbraw/zinc/72/52/39/806725239.db2.gz	BNGDJFPCCQJBDG-FQEVSTJZSA-N	1	0	373.453	1.989	20	30		FDEDRO
C=CC[C@]1(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CCC[NH2+]1	ZINC000662491623	806758254	/nfs/dbraw/zinc/75/82/54/806758254.db2.gz	WTOLQSGFSYRPEJ-MRXNPFEDSA-N	1	0	356.875	1.928	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]C[C@H](O)COC)C2)CC1	ZINC001112523172	799802306	/nfs/dbraw/zinc/80/23/06/799802306.db2.gz	GOBKDGZUAMHVDB-BJLQDIEVSA-N	1	0	350.503	1.958	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1	ZINC000974593642	799897319	/nfs/dbraw/zinc/89/73/19/799897319.db2.gz	WHXKQTWUQXOSKP-HSALFYBXSA-N	1	0	367.493	1.610	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ncc(Cl)n2C)C1	ZINC001026849743	800016039	/nfs/dbraw/zinc/01/60/39/800016039.db2.gz	DNHMFEJUWGBYNQ-KFWWJZLASA-N	1	0	366.893	1.993	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)C4([NH+](C)C)CCC4)C[C@H]32)cn1	ZINC000974671508	800041361	/nfs/dbraw/zinc/04/13/61/800041361.db2.gz	SQDAGZRUUKDMDV-SJLPKXTDSA-N	1	0	366.465	1.220	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)cc1	ZINC000974698949	800134850	/nfs/dbraw/zinc/13/48/50/800134850.db2.gz	ALLYIJUPIACILD-WOJBJXKFSA-N	1	0	365.477	1.683	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)C[N@H+]4CC[C@H](C)C4)C[C@H]32)cc1	ZINC000974707317	800143294	/nfs/dbraw/zinc/14/32/94/800143294.db2.gz	QHKUFQBOPWPJAJ-PWIZWCRZSA-N	1	0	365.477	1.683	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)c2cnnn2C2CC[NH2+]CC2)cc1	ZINC000662516570	806817460	/nfs/dbraw/zinc/81/74/60/806817460.db2.gz	CXENJCOZBYHUAU-UHFFFAOYSA-N	1	0	354.414	1.371	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2cccc(C#N)c2)C1	ZINC001027889114	806817733	/nfs/dbraw/zinc/81/77/33/806817733.db2.gz	KJKNIVVWTXZRBA-ZTFGCOKTSA-N	1	0	354.454	1.554	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3nnnn3C)C2)CC1	ZINC001112523600	800345965	/nfs/dbraw/zinc/34/59/65/800345965.db2.gz	COAIGEIVOMAFEH-KXBFYZLASA-N	1	0	358.490	1.675	20	30		FDEDRO
N#Cc1ccccc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC001026963949	800351099	/nfs/dbraw/zinc/35/10/99/800351099.db2.gz	ZJEISRHBSONVDE-GIRNWQOFSA-N	1	0	351.450	1.920	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1	ZINC000974926694	800571884	/nfs/dbraw/zinc/57/18/84/800571884.db2.gz	RXPWCZMYAQJHLD-NVXWUHKLSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCCN2C[C@@H]3CCCCN3C2=O)CC1	ZINC000660597322	800679560	/nfs/dbraw/zinc/67/95/60/800679560.db2.gz	PAKIXVCFGKDTOQ-KRWDZBQOSA-N	1	0	363.506	1.616	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CN(Cc2cncc(OC)n2)CC1(C)C	ZINC000975058264	800801264	/nfs/dbraw/zinc/80/12/64/800801264.db2.gz	RBPPAQLGASUANO-PMPSAXMXSA-N	1	0	360.458	1.403	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2OCC[C@H]2C)C1	ZINC001027071432	800876027	/nfs/dbraw/zinc/87/60/27/800876027.db2.gz	JSYZVKVGWGNLSY-ALKREAHSSA-N	1	0	357.454	1.930	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnc(C3CC3)n2C)C1	ZINC001027075118	800887654	/nfs/dbraw/zinc/88/76/54/800887654.db2.gz	LYGJWZYLATWJGP-IMJJTQAJSA-N	1	0	359.474	1.222	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cn(C(C)(C)C)nn2)C1	ZINC001027075887	800890490	/nfs/dbraw/zinc/89/04/90/800890490.db2.gz	DOCUXFANIQGEHV-UAGQMJEPSA-N	1	0	361.490	1.562	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cc(OC)no2)C1	ZINC001027113585	800977371	/nfs/dbraw/zinc/97/73/71/800977371.db2.gz	DZDVPCOFNIRHFX-ZVZYQTTQSA-N	1	0	363.458	1.993	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2snnc2C)C1	ZINC001027116422	801005988	/nfs/dbraw/zinc/00/59/88/801005988.db2.gz	AKBRLIRDALUDPE-YCPHGPKFSA-N	1	0	350.488	1.766	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000975316314	801129006	/nfs/dbraw/zinc/12/90/06/801129006.db2.gz	ZYTPDLPXYIGDFI-FFZOFVMBSA-N	1	0	371.525	1.733	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1	ZINC000975551365	801490075	/nfs/dbraw/zinc/49/00/75/801490075.db2.gz	AGTDGQNTAKIHDM-ZACQAIPSSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CC[C@]1(C(=O)N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CCC[NH2+]1	ZINC000662646860	806923062	/nfs/dbraw/zinc/92/30/62/806923062.db2.gz	PCQJSSPTVJAOIP-YLJYHZDGSA-N	1	0	373.453	1.624	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)[C@@H](C)CC)C[C@@H]32)CC1	ZINC000975591887	801627571	/nfs/dbraw/zinc/62/75/71/801627571.db2.gz	BBLVSARVQJGVLE-LNLFQRSKSA-N	1	0	359.514	1.827	20	30		FDEDRO
C=CC[C@@]1(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCOCC2)CCC[NH2+]1	ZINC000662662005	806931942	/nfs/dbraw/zinc/93/19/42/806931942.db2.gz	LRLKFRKCYODPEQ-FPOVZHCZSA-N	1	0	373.497	1.883	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]32)CC[N@@H+]1C	ZINC000975664582	801882316	/nfs/dbraw/zinc/88/23/16/801882316.db2.gz	JEOVGYYWMPTRDP-KKBFJZEXSA-N	1	0	369.469	1.290	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)C#CC3CC3)[C@H]2C1	ZINC000975753531	802205459	/nfs/dbraw/zinc/20/54/59/802205459.db2.gz	KXDCRLVCYXTEJI-FHWLQOOXSA-N	1	0	357.498	1.724	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)[C@@H]4C[C@H]4CC)[C@H]3C2)CC1	ZINC000975754543	802209185	/nfs/dbraw/zinc/20/91/85/802209185.db2.gz	NMTUTOPSONZFKP-BWPNAZKDSA-N	1	0	371.525	1.827	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)C#CC3CC3)[C@H]2C1	ZINC000975796672	802391027	/nfs/dbraw/zinc/39/10/27/802391027.db2.gz	NOSRDGGPGAMCRW-UFYCRDLUSA-N	1	0	371.525	1.970	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)[C@H]4C[C@@H]4C)C[C@@H]32)CC1	ZINC000975886872	802641561	/nfs/dbraw/zinc/64/15/61/802641561.db2.gz	XSYGBPZEYXETDX-CAMMJAKZSA-N	1	0	357.498	1.437	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@H]2C1	ZINC000975972970	802762993	/nfs/dbraw/zinc/76/29/93/802762993.db2.gz	JHYNVWZQUFTESQ-ZQIUZPCESA-N	1	0	351.410	1.557	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@H]2C1	ZINC000976024530	802884934	/nfs/dbraw/zinc/88/49/34/802884934.db2.gz	KXAAQEPHCOAPCJ-ZVZYQTTQSA-N	1	0	369.469	1.434	20	30		FDEDRO
C=CCNc1ncc(C(=O)NC2CCN(C(=O)CCC[NH2+]C)CC2)s1	ZINC000662741951	802998167	/nfs/dbraw/zinc/99/81/67/802998167.db2.gz	JNTCVYJJJVKLTP-UHFFFAOYSA-N	1	0	365.503	1.461	20	30		FDEDRO
C=CC[C@@]1(C(=O)NC[C@H](c2cccs2)N2CCN(C)CC2)CCC[NH2+]1	ZINC000662754714	803063275	/nfs/dbraw/zinc/06/32/75/803063275.db2.gz	UOGBMNYIGOVILM-APWZRJJASA-N	1	0	362.543	1.851	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCCO2)CC1	ZINC000976212484	803070376	/nfs/dbraw/zinc/07/03/76/803070376.db2.gz	ICHQQLOOMPJZJH-KZNAEPCWSA-N	1	0	361.486	1.054	20	30		FDEDRO
C=CC[N@@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@@H](C)COC	ZINC000661244423	803095498	/nfs/dbraw/zinc/09/54/98/803095498.db2.gz	UBSLUHSRBWFJAH-ZDUSSCGKSA-N	1	0	355.460	1.186	20	30		FDEDRO
C=CC[C@@]1(C(=O)Nc2ccc(CN3CCN(C(C)=O)CC3)cc2)CCC[NH2+]1	ZINC000662798114	803315719	/nfs/dbraw/zinc/31/57/19/803315719.db2.gz	AJAISOVFOSVQLD-NRFANRHFSA-N	1	0	370.497	1.988	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1	ZINC000423084713	814958493	/nfs/dbraw/zinc/95/84/93/814958493.db2.gz	IQFGBYMACSPWMO-QZTJIDSGSA-N	1	0	354.454	1.365	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C[NH+]2CCCC2)nc1	ZINC000976702782	803782709	/nfs/dbraw/zinc/78/27/09/803782709.db2.gz	QDTNCNNNYOHPED-IAGOWNOFSA-N	1	0	354.454	1.316	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCc2cnn(C)c2)C1	ZINC001027415404	803802012	/nfs/dbraw/zinc/80/20/12/803802012.db2.gz	KWSXUBIGTMBWRZ-QRVBRYPASA-N	1	0	360.502	1.867	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCc2ccnn2C)C1	ZINC001027415923	803805495	/nfs/dbraw/zinc/80/54/95/803805495.db2.gz	UURWVMKNFDTMAU-OTWHNJEPSA-N	1	0	360.502	1.867	20	30		FDEDRO
N#Cc1cccc(OC2CCN(C(=O)C(=O)N3CCC(C[NH3+])CC3)CC2)c1	ZINC000423150168	814974005	/nfs/dbraw/zinc/97/40/05/814974005.db2.gz	IGCUTVUXONSEJR-UHFFFAOYSA-N	1	0	370.453	1.125	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C[C@H](C)[NH2+]1	ZINC000423158069	814977583	/nfs/dbraw/zinc/97/75/83/814977583.db2.gz	WDOIGZYFWANOMM-GJZGRUSLSA-N	1	0	370.453	1.137	20	30		FDEDRO
CC[N@H+](CCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1CC1	ZINC000503910902	814979619	/nfs/dbraw/zinc/97/96/19/814979619.db2.gz	JHOPFZSGBCZLHT-SFHVURJKSA-N	1	0	369.469	1.837	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1	ZINC000423166143	814985714	/nfs/dbraw/zinc/98/57/14/814985714.db2.gz	CKEIDSLCNWCPGE-IRXDYDNUSA-N	1	0	357.454	1.278	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1	ZINC000423208987	814992432	/nfs/dbraw/zinc/99/24/32/814992432.db2.gz	FWBCWQCYXHHAGG-OAHLLOKOSA-N	1	0	374.441	1.697	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1	ZINC000423189345	814995434	/nfs/dbraw/zinc/99/54/34/814995434.db2.gz	PGZFJKOYRFKVDZ-OAQYLSRUSA-N	1	0	355.482	1.846	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CC[C@H](C[NH2+]C)C1	ZINC000423214804	815005137	/nfs/dbraw/zinc/00/51/37/815005137.db2.gz	NCTLLTIJNDWVHA-OAHLLOKOSA-N	1	0	360.414	1.177	20	30		FDEDRO
CC(C)C1(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(=O)NCC#N)C2)CC1	ZINC001211670693	804483730	/nfs/dbraw/zinc/48/37/30/804483730.db2.gz	CYWZAWDKXNZUDF-ZWKOTPCHSA-N	1	0	368.481	1.647	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](COC)OC)C[C@H]1c1ccccc1	ZINC001211670966	804587520	/nfs/dbraw/zinc/58/75/20/804587520.db2.gz	QVERUDJEMJZTGK-OTWHNJEPSA-N	1	0	362.470	1.435	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1c1ccccc1	ZINC001211673450	804826000	/nfs/dbraw/zinc/82/60/00/804826000.db2.gz	KGZXBOSRPAXQTB-HLAWJBBLSA-N	1	0	369.509	1.705	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC(C)C)C2)c1	ZINC001112527089	805097725	/nfs/dbraw/zinc/09/77/25/805097725.db2.gz	MSXKJFYEOCAZLN-RXVVDRJESA-N	1	0	368.481	1.419	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])c1	ZINC000652378307	805373214	/nfs/dbraw/zinc/37/32/14/805373214.db2.gz	FHCYZQHLTGKERL-YOEHRIQHSA-N	1	0	365.499	1.740	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2ccc(CN3CCCC3=O)cc2)CC1	ZINC000066921196	805395211	/nfs/dbraw/zinc/39/52/11/805395211.db2.gz	MSILIACLGNDBOA-UHFFFAOYSA-N	1	0	353.466	1.770	20	30		FDEDRO
N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC23CC3)C[C@H]1c1ccccc1	ZINC001211680251	805524452	/nfs/dbraw/zinc/52/44/52/805524452.db2.gz	MXEYKMRDFGCHAL-YESZJQIVSA-N	1	0	352.438	1.010	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H]1CCCN1Cc1cc(C#N)ccc1F	ZINC001027943113	807044438	/nfs/dbraw/zinc/04/44/38/807044438.db2.gz	MTMRPTMJTBZQCL-OWQGQXMQSA-N	1	0	361.417	1.582	20	30		FDEDRO
CC[NH2+][C@H](C)CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000418595948	807045369	/nfs/dbraw/zinc/04/53/69/807045369.db2.gz	XOZJXIPPQPWKDG-CQSZACIVSA-N	1	0	357.458	1.916	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cnc[nH]c2=O)C1	ZINC001087430551	807058473	/nfs/dbraw/zinc/05/84/73/807058473.db2.gz	VITMSLGWLKCLDJ-SJLPKXTDSA-N	1	0	350.422	1.793	20	30		FDEDRO
C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1	ZINC000423515539	815108447	/nfs/dbraw/zinc/10/84/47/815108447.db2.gz	ADWRFUGZAKUICN-SZMVWBNQSA-N	1	0	354.454	1.353	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C)c(C(N)=O)cn1)C2	ZINC001112532460	807373646	/nfs/dbraw/zinc/37/36/46/807373646.db2.gz	CGCNQYBADAAKFY-YWZLYKJASA-N	1	0	356.470	1.897	20	30		FDEDRO
C=CCN(C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@H](C)COC	ZINC000663546456	807422952	/nfs/dbraw/zinc/42/29/52/807422952.db2.gz	NQRONEMSKYJGTQ-MRXNPFEDSA-N	1	0	361.490	1.566	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCNC(=O)CC2)C1	ZINC001087433146	807529843	/nfs/dbraw/zinc/52/98/43/807529843.db2.gz	AOAZKJSWGAPICH-VAMGGRTRSA-N	1	0	367.493	1.900	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1	ZINC000981188293	807667946	/nfs/dbraw/zinc/66/79/46/807667946.db2.gz	CCNBZHYJDAHQKE-OFQRWUPVSA-N	1	0	357.458	1.243	20	30		FDEDRO
C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	ZINC001028043561	807682940	/nfs/dbraw/zinc/68/29/40/807682940.db2.gz	RSNZVZXYTCNXCT-KSZLIROESA-N	1	0	351.491	1.023	20	30		FDEDRO
C[C@H]1CCN(C(=O)C(=O)N(Cc2ccc(C#N)cc2)C2CC2)C[C@H]1C[NH3+]	ZINC000423575572	815144940	/nfs/dbraw/zinc/14/49/40/815144940.db2.gz	WAVGLQWDISLERE-WMLDXEAASA-N	1	0	354.454	1.493	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C(=O)NCC(F)(F)F)C[C@H]1c1ccccc1	ZINC001211698388	807791426	/nfs/dbraw/zinc/79/14/26/807791426.db2.gz	LTPKYYLQUDVYRW-LSDHHAIUSA-N	1	0	369.387	1.825	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)C2CC(C)(C)C2)C1	ZINC000981266380	807842882	/nfs/dbraw/zinc/84/28/82/807842882.db2.gz	QUBXXFGSTGMXDL-JQHSSLGASA-N	1	0	359.514	1.921	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1	ZINC000512120389	808290986	/nfs/dbraw/zinc/29/09/86/808290986.db2.gz	AJAADYHBZHBAIV-UHFFFAOYSA-N	1	0	370.432	1.849	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CCCN(Cc1nnc(C)o1)C2	ZINC000981776071	808472645	/nfs/dbraw/zinc/47/26/45/808472645.db2.gz	FPSIJJUNASOOEG-CVEARBPZSA-N	1	0	360.458	1.784	20	30		FDEDRO
C=C(C)CN(CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(CO)o1	ZINC000512148409	808510378	/nfs/dbraw/zinc/51/03/78/808510378.db2.gz	OEFIBQRKTXTSID-UHFFFAOYSA-N	1	0	361.486	1.893	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1	ZINC000423724799	815214759	/nfs/dbraw/zinc/21/47/59/815214759.db2.gz	INHWUZRTCSVDOO-RBUKOAKNSA-N	1	0	368.481	1.897	20	30		FDEDRO
C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3OCCO[C@@H]3c3ccccc3)C2)C1	ZINC000981821795	808558099	/nfs/dbraw/zinc/55/80/99/808558099.db2.gz	CCDDGFYVAGRPPI-RTBURBONSA-N	1	0	354.450	1.701	20	30		FDEDRO
CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC001028192723	808953469	/nfs/dbraw/zinc/95/34/69/808953469.db2.gz	KIHZYLMKNJGCTI-JENIJYKNSA-N	1	0	354.454	1.205	20	30		FDEDRO
C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC001028193625	808957741	/nfs/dbraw/zinc/95/77/41/808957741.db2.gz	WZFCDVDSCZDTAJ-ZIFCJYIRSA-N	1	0	356.470	1.758	20	30		FDEDRO
CC[C@H]([NH3+])CNC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000418732218	809163709	/nfs/dbraw/zinc/16/37/09/809163709.db2.gz	QNIUBAIGCPGLQB-HNNXBMFYSA-N	1	0	352.442	1.675	20	30		FDEDRO
COc1ccc(C#N)cc1CN1C[C@@H]2CCN(C(=O)c3c[nH]c(C)n3)[C@@H]2C1	ZINC001075620946	809174177	/nfs/dbraw/zinc/17/41/77/809174177.db2.gz	JKMRDEILCXWNBK-MAUKXSAKSA-N	1	0	365.437	1.945	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](CCc3ccc4c(c3)OCCO4)C[C@H]21	ZINC001075621158	809182177	/nfs/dbraw/zinc/18/21/77/809182177.db2.gz	QEUBLIZSQNZVJK-BHYGNILZSA-N	1	0	355.438	1.693	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1	ZINC000418825873	809247817	/nfs/dbraw/zinc/24/78/17/809247817.db2.gz	KCFPINKDRRYKQG-ZWKOTPCHSA-N	1	0	359.470	1.461	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1	ZINC000418834734	809256139	/nfs/dbraw/zinc/25/61/39/809256139.db2.gz	RVVFVGOYWYCKPX-XDNAFOTISA-N	1	0	357.454	1.037	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2CCN(C(C)=O)CC2)C[C@H]1c1ccccc1	ZINC001211720714	809272530	/nfs/dbraw/zinc/27/25/30/809272530.db2.gz	NFICPIQNVAMGTQ-LEWJYISDSA-N	1	0	367.493	1.852	20	30		FDEDRO
Cc1c[nH]cc1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC#N)C1	ZINC001211721062	809277152	/nfs/dbraw/zinc/27/71/52/809277152.db2.gz	YJIQKQXAEUHCMO-ZWKOTPCHSA-N	1	0	365.437	1.161	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCCCC[C@H]2C[C@H](C)O)CC1	ZINC000512416475	809286703	/nfs/dbraw/zinc/28/67/03/809286703.db2.gz	UMCFNFXIUNGGEI-FHWLQOOXSA-N	1	0	364.534	1.694	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1	ZINC000418922180	809316866	/nfs/dbraw/zinc/31/68/66/809316866.db2.gz	MKFGVKBGNLJXKB-QGZVFWFLSA-N	1	0	374.510	1.541	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N2CCCC2=O)C[C@H]1c1ccccc1	ZINC001211723979	809330359	/nfs/dbraw/zinc/33/03/59/809330359.db2.gz	FGWHZBBVZDHGSJ-ZCNNSNEGSA-N	1	0	367.493	1.995	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CNC(=O)[C@H](C)CC)C[C@H]1c1ccccc1	ZINC001211723982	809330638	/nfs/dbraw/zinc/33/06/38/809330638.db2.gz	FIBCXMAHKAOBQO-NZSAHSFTSA-N	1	0	355.482	1.756	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C[C@H]1[NH3+]	ZINC000419031560	809434529	/nfs/dbraw/zinc/43/45/29/809434529.db2.gz	JDSFMAIPJHHXCD-YJNKEBTESA-N	1	0	370.453	1.170	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1	ZINC000366418243	809603462	/nfs/dbraw/zinc/60/34/62/809603462.db2.gz	BCRZQDQJRCIVQH-DAXOMENPSA-N	1	0	372.400	1.055	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000419199222	809660143	/nfs/dbraw/zinc/66/01/43/809660143.db2.gz	DHOKEEXDCJFQHX-IFXJQAMLSA-N	1	0	362.433	1.881	20	30		FDEDRO
CN(Cc1ccccc1)C(=O)N1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1	ZINC000424086483	815309902	/nfs/dbraw/zinc/30/99/02/815309902.db2.gz	BYGAEKFEDWLPPD-QGZVFWFLSA-N	1	0	357.458	1.404	20	30		FDEDRO
CC(C)(C)c1nc(CN2CCCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)no1	ZINC000424171732	815322808	/nfs/dbraw/zinc/32/28/08/815322808.db2.gz	JHPSDPAGPJYPAH-AWEZNQCLSA-N	1	0	362.478	1.423	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N(C)CC[NH3+])c1ccc(-c2cccc(C#N)c2)cc1	ZINC000419210414	809866774	/nfs/dbraw/zinc/86/67/74/809866774.db2.gz	QQWOIUJLMZWJHZ-CQSZACIVSA-N	1	0	350.422	1.820	20	30		FDEDRO
O=C(CN1CCOCC1)N1CC[C@H]2CN(CC#Cc3ccc(F)cc3)C[C@H]21	ZINC001075697928	815326147	/nfs/dbraw/zinc/32/61/47/815326147.db2.gz	NBDVXOXLHXOLEW-AZUAARDMSA-N	1	0	371.456	1.042	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCOCCO)C1	ZINC001211736134	809925203	/nfs/dbraw/zinc/92/52/03/809925203.db2.gz	JKJIITFMHCBHBN-NZSAHSFTSA-N	1	0	362.470	1.171	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2cn(C)nn2)C[C@H]1c1ccccc1	ZINC001211738762	809933725	/nfs/dbraw/zinc/93/37/25/809933725.db2.gz	RAYDQNYFJJNGGQ-RBUKOAKNSA-N	1	0	351.454	1.355	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)NC1CCN(C(=O)C2CC2)CC1	ZINC000261703071	810016746	/nfs/dbraw/zinc/01/67/46/810016746.db2.gz	UEXJGBOMHGRVKU-BBWFWOEESA-N	1	0	360.502	1.510	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1	ZINC001087453804	810040117	/nfs/dbraw/zinc/04/01/17/810040117.db2.gz	MKTZLGWOASQABH-KBAYOESNSA-N	1	0	359.445	1.812	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CCO)CC[C@@H]2c2cccc(F)c2)c1	ZINC001087453928	810040912	/nfs/dbraw/zinc/04/09/12/810040912.db2.gz	SCMIIGRAYPAHJP-SJLPKXTDSA-N	1	0	356.401	1.606	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1	ZINC001087456187	810094923	/nfs/dbraw/zinc/09/49/23/810094923.db2.gz	IDFIOWBFMNOEKM-QXAKKESOSA-N	1	0	371.456	1.649	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@H]1C(F)(F)F	ZINC001112122238	810098152	/nfs/dbraw/zinc/09/81/52/810098152.db2.gz	CFDVFNPCAKWZKK-JHJVBQTASA-N	1	0	370.437	1.755	20	30		FDEDRO
C=CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1	ZINC001087456448	810100016	/nfs/dbraw/zinc/10/00/16/810100016.db2.gz	XSEWBZKJBJAWKR-KZNAEPCWSA-N	1	0	359.445	1.955	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CN(CC#N)CC[C@@H]2c2cccc(F)c2)O1	ZINC001087456305	810102329	/nfs/dbraw/zinc/10/23/29/810102329.db2.gz	OMODMWWRMIOBPF-UTRMSSBJSA-N	1	0	374.460	1.342	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CC(=O)N(C(C)(C)C)C2)CC1	ZINC000664015570	810169905	/nfs/dbraw/zinc/16/99/05/810169905.db2.gz	JBLGBKRZTYVOFR-OAHLLOKOSA-N	1	0	350.507	1.973	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1	ZINC000249135378	810225813	/nfs/dbraw/zinc/22/58/13/810225813.db2.gz	DPPNCEAEFGLVIB-RBSFLKMASA-N	1	0	358.442	1.857	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[C@H]2CCC(=O)N2)C1	ZINC001087458779	810287324	/nfs/dbraw/zinc/28/73/24/810287324.db2.gz	UODJDOHEWVDNTL-GUDVDZBRSA-N	1	0	371.456	1.792	20	30		FDEDRO
CN(C(=[NH2+])NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)C1CC1	ZINC000261722215	810315301	/nfs/dbraw/zinc/31/53/01/810315301.db2.gz	GBQVBRVMBCCUNZ-LJQANCHMSA-N	1	0	355.442	1.820	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCO)CC[C@@H]2c2cccc(F)c2)nc1	ZINC001087459641	810508744	/nfs/dbraw/zinc/50/87/44/810508744.db2.gz	OZXOVNOTJIINGE-UYAOXDASSA-N	1	0	367.424	1.782	20	30		FDEDRO
CN1CC[NH+](CCCCNC(=O)NCc2ccc(OCC#N)cc2)CC1	ZINC000728947942	810597430	/nfs/dbraw/zinc/59/74/30/810597430.db2.gz	HBJLPYOGXKTHTM-UHFFFAOYSA-N	1	0	359.474	1.416	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC(=O)N2CCCCC2)C1	ZINC001028549385	810617718	/nfs/dbraw/zinc/61/77/18/810617718.db2.gz	PPLCHMBFYVZXHM-KSZLIROESA-N	1	0	363.502	1.418	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CN2CCCC2=O)C1	ZINC001087462350	810810559	/nfs/dbraw/zinc/81/05/59/810810559.db2.gz	DYXAFTKTSNWEMB-RTBURBONSA-N	1	0	371.456	1.746	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1	ZINC000453703683	810895118	/nfs/dbraw/zinc/89/51/18/810895118.db2.gz	ZOAGAYYMRWWHDD-QGZVFWFLSA-N	1	0	354.454	1.996	20	30		FDEDRO
CCn1cc(CC[N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)cn1	ZINC001075658844	810910107	/nfs/dbraw/zinc/91/01/07/810910107.db2.gz	WEWGTUYROQWXNC-FUHWJXTLSA-N	1	0	352.442	1.492	20	30		FDEDRO
C=CCCn1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)nn1	ZINC000424616747	815407394	/nfs/dbraw/zinc/40/73/94/815407394.db2.gz	NAHVZMWBUHBUSU-UHFFFAOYSA-N	1	0	352.442	1.930	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4oc(C)cc4C)[C@@H]3C2)C1=O	ZINC001075660949	810922682	/nfs/dbraw/zinc/92/26/82/810922682.db2.gz	QUBQAUOIIJWNHD-GVDBMIGSSA-N	1	0	357.454	1.830	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)cn1	ZINC000729387411	811224513	/nfs/dbraw/zinc/22/45/13/811224513.db2.gz	XQHUPQOTDCNGFS-UHFFFAOYSA-N	1	0	362.477	1.953	20	30		FDEDRO
C[NH+]=C(NCc1cc(C)c(O)c(C)c1)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261671862	811295518	/nfs/dbraw/zinc/29/55/18/811295518.db2.gz	GUCXRPGUSPGCFC-UHFFFAOYSA-N	1	0	370.457	1.167	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)N1CCN(c2ccccn2)CC1	ZINC000261680416	811297109	/nfs/dbraw/zinc/29/71/09/811297109.db2.gz	QHWRKAPSJOFTQS-NXHRZFHOSA-N	1	0	355.486	1.737	20	30		FDEDRO
C[NH+]=C(NCc1cn2c(n1)CCCC2)N1CCO[C@H](c2cnn(C)c2)C1	ZINC000261748884	811310749	/nfs/dbraw/zinc/31/07/49/811310749.db2.gz	LQJIIJDYSRTUQG-INIZCTEOSA-N	1	0	357.462	1.102	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCC2)N[C@H]1CCN(c2ccccc2OC)C1	ZINC000261939138	811348853	/nfs/dbraw/zinc/34/88/53/811348853.db2.gz	DDRUEXJRQKQGOC-AWEZNQCLSA-N	1	0	369.473	1.177	20	30		FDEDRO
C[NH+]=C(NCCc1cccc2cccnc21)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261946053	811349909	/nfs/dbraw/zinc/34/99/09/811349909.db2.gz	FYPANDAHYJIBCF-UHFFFAOYSA-N	1	0	374.510	1.862	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1C(F)(F)F	ZINC001112128345	811355783	/nfs/dbraw/zinc/35/57/83/811355783.db2.gz	FKMDZWMLIWXCMV-YNEHKIRRSA-N	1	0	368.421	1.366	20	30		FDEDRO
COc1ccc([N+](=O)[O-])cc1CNC(=[NH2+])N1CCN(c2ncccn2)CC1	ZINC000261998760	811364390	/nfs/dbraw/zinc/36/43/90/811364390.db2.gz	OREFVLSSUYZRKB-UHFFFAOYSA-N	1	0	371.401	1.030	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nc1	ZINC000982826643	811383685	/nfs/dbraw/zinc/38/36/85/811383685.db2.gz	IECZTOPHGYRHEL-ZIFCJYIRSA-N	1	0	368.481	1.372	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN(C(C)=O)C2)C[C@H]1C(F)(F)F	ZINC001112128627	811413626	/nfs/dbraw/zinc/41/36/26/811413626.db2.gz	UCZWUOHJSDXFLC-RBSFLKMASA-N	1	0	361.408	1.800	20	30		FDEDRO
CN(C)C(=O)CNC(=[NH+]C1CCOCC1)N1CC[C@@H](Cc2ccccc2)C1	ZINC000262332374	811443398	/nfs/dbraw/zinc/44/33/98/811443398.db2.gz	VIFAORZOSGPUMV-SFHVURJKSA-N	1	0	372.513	1.764	20	30		FDEDRO
C[NH+]=C(NCCN1CCc2sccc2C1)N1CC[C@H](c2cnn(C)c2)C1	ZINC000262475688	811475896	/nfs/dbraw/zinc/47/58/96/811475896.db2.gz	QBQHYWXGQZEJOP-HNNXBMFYSA-N	1	0	372.542	1.905	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1	ZINC001028604652	811503071	/nfs/dbraw/zinc/50/30/71/811503071.db2.gz	DPZIOWHEJYNXCO-JOQOYGCGSA-N	1	0	361.417	1.439	20	30		FDEDRO
[NH2+]=C(N[C@H]1C[C@H](c2ccccc2F)C1)N1CCN(c2ncccn2)CC1	ZINC000262780371	811550465	/nfs/dbraw/zinc/55/04/65/811550465.db2.gz	IXBBCFJDMXJARX-SHTZXODSSA-N	1	0	354.433	1.999	20	30		FDEDRO
N#C[C@@H]1CN(C[C@H](O)COCc2ccco2)C[C@@]12C(=O)Nc1ccccc12	ZINC000513661552	811665267	/nfs/dbraw/zinc/66/52/67/811665267.db2.gz	SYOLREJDUUQQKX-QEEYODRMSA-N	1	0	367.405	1.503	20	30		FDEDRO
Cc1cc(CC(=O)N2CC[C@H]3CN(CC#Cc4ccc(F)cc4)C[C@H]32)[nH]n1	ZINC001075677833	811737318	/nfs/dbraw/zinc/73/73/18/811737318.db2.gz	ZSNLEPQBFPBIJE-FXAWDEMLSA-N	1	0	366.440	1.984	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1ccc(F)c(F)c1	ZINC000419673442	812085107	/nfs/dbraw/zinc/08/51/07/812085107.db2.gz	HKDAAHPHYGVIPZ-CLROSIBMSA-N	1	0	363.408	1.894	20	30		FDEDRO
C=CC1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)CC1	ZINC000419872168	812266803	/nfs/dbraw/zinc/26/68/03/812266803.db2.gz	CTILZUXWMMVRHH-RBUKOAKNSA-N	1	0	371.481	1.682	20	30		FDEDRO
N#Cc1ccc(OC2CN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCCC3)C2)cc1	ZINC000419959079	812310406	/nfs/dbraw/zinc/31/04/06/812310406.db2.gz	CZMDLXPDJYOWGT-SFHVURJKSA-N	1	0	370.453	1.172	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4ccc(C)o4)[C@@H]3C2)C1=O	ZINC001075702732	815557117	/nfs/dbraw/zinc/55/71/17/815557117.db2.gz	YBMVRPIRZZIPTC-RYQLBKOJSA-N	1	0	357.454	1.450	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCCC(C)(C)[C@@H]2C#N)CC1=O	ZINC000434445176	815566385	/nfs/dbraw/zinc/56/63/85/815566385.db2.gz	HLJQSRZLSZMNKJ-ZACQAIPSSA-N	1	0	360.502	1.860	20	30		FDEDRO
N#Cc1cccc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])CCO2)c1	ZINC000420010663	813394504	/nfs/dbraw/zinc/39/45/04/813394504.db2.gz	FUKVLQBAGFXZIU-KSZLIROESA-N	1	0	370.453	1.092	20	30		FDEDRO
CC1(CNC(=O)C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC[NH2+]CC1	ZINC000420130370	813491206	/nfs/dbraw/zinc/49/12/06/813491206.db2.gz	WXIVDXBRMGFWRP-QZTJIDSGSA-N	1	0	368.481	1.791	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)C2CC(OC(C)(C)C)C2)CC1	ZINC000421015468	813906043	/nfs/dbraw/zinc/90/60/43/813906043.db2.gz	SZBIBWCDQZGASB-ABHNRTSZSA-N	1	0	364.534	1.957	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)c(C#N)cn1CC	ZINC000421177053	813980725	/nfs/dbraw/zinc/98/07/25/813980725.db2.gz	UTQPDSXOMOWORT-ZDUSSCGKSA-N	1	0	361.446	1.972	20	30		FDEDRO
COc1ccc([C@@H]2CC[NH2+]C[C@H]2NS(=O)(=O)c2ccc(C#N)cc2)cc1	ZINC000366941279	814144741	/nfs/dbraw/zinc/14/47/41/814144741.db2.gz	PPSIMYCVEBEARF-RBUKOAKNSA-N	1	0	371.462	1.991	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000894261137	814238922	/nfs/dbraw/zinc/23/89/22/814238922.db2.gz	FIKPUUIWPOWZCM-UHFFFAOYSA-N	1	0	354.454	1.555	20	30		FDEDRO
Cc1cc(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)nn1CCC#N	ZINC000272046092	814555591	/nfs/dbraw/zinc/55/55/91/814555591.db2.gz	GNLJIBJLRTUQNE-SJORKVTESA-N	1	0	374.489	1.995	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCCC[NH+]1CCOCC1	ZINC000272589977	814764213	/nfs/dbraw/zinc/76/42/13/814764213.db2.gz	RYWYTFXTIWOTIE-HNNXBMFYSA-N	1	0	374.441	1.145	20	30		FDEDRO
CCC1(CNC(=O)Cn2cnc(C#N)n2)CC[NH+](Cc2ccccc2)CC1	ZINC000514059171	815588919	/nfs/dbraw/zinc/58/89/19/815588919.db2.gz	KIPATKDNYVRCBK-UHFFFAOYSA-N	1	0	366.469	1.958	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1	ZINC001028801552	815676852	/nfs/dbraw/zinc/67/68/52/815676852.db2.gz	YPRRJPUIDJSPKS-FGTMMUONSA-N	1	0	354.454	1.221	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1	ZINC001028803045	815688201	/nfs/dbraw/zinc/68/82/01/815688201.db2.gz	XKAZMXAZMQMXHT-GBESFXJTSA-N	1	0	353.466	1.201	20	30		FDEDRO
NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1	ZINC001028804938	815730101	/nfs/dbraw/zinc/73/01/01/815730101.db2.gz	HINXZJRYSXPOMW-UAGQMJEPSA-N	1	0	359.857	1.251	20	30		FDEDRO
CCn1cc(CC[N@@H+]2C[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)cn1	ZINC001075709915	815776009	/nfs/dbraw/zinc/77/60/09/815776009.db2.gz	TWXSZMXXVIXZGV-MAUKXSAKSA-N	1	0	352.442	1.492	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cn(C)nc2C(F)F)C1	ZINC001028809010	815777518	/nfs/dbraw/zinc/77/75/18/815777518.db2.gz	JHDBHFSCVXFGHR-YUELXQCFSA-N	1	0	368.428	1.887	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)N(CC)CC	ZINC001167956695	815808523	/nfs/dbraw/zinc/80/85/23/815808523.db2.gz	IOLMXXKXUTXZNC-ULQDDVLXSA-N	1	0	353.507	1.711	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(Cc2ccccc2)C[C@@H](C)O)CC1	ZINC000514882487	816025455	/nfs/dbraw/zinc/02/54/55/816025455.db2.gz	UMNVSWCKNRWTSL-QGZVFWFLSA-N	1	0	373.497	1.553	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000514919024	816033199	/nfs/dbraw/zinc/03/31/99/816033199.db2.gz	UJMGHXJUNHWPKA-YRXWBPOGSA-N	1	0	359.470	1.512	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1	ZINC000425381842	816045820	/nfs/dbraw/zinc/04/58/20/816045820.db2.gz	HMWUIAVPFXGXLT-QRWLVFNGSA-N	1	0	354.454	1.632	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1	ZINC000425384292	816053748	/nfs/dbraw/zinc/05/37/48/816053748.db2.gz	LSKKPPZQEJTCSE-WBVHZDCISA-N	1	0	356.470	1.878	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)cc1C#N	ZINC000435481918	816055900	/nfs/dbraw/zinc/05/59/00/816055900.db2.gz	LWOYFBMOYOMDDL-UHFFFAOYSA-N	1	0	367.409	1.329	20	30		FDEDRO
C[C@@H](C#N)CN(C)C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1	ZINC000425405256	816161722	/nfs/dbraw/zinc/16/17/22/816161722.db2.gz	QWZUGGPLYJPSJW-RYQLBKOJSA-N	1	0	354.454	1.337	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)ncc1C#N	ZINC000515309589	816187863	/nfs/dbraw/zinc/18/78/63/816187863.db2.gz	HMYNUJQDLXMOJF-UHFFFAOYSA-N	1	0	355.398	1.384	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCN(Cc2nnc(C(C)C)[nH]2)C1	ZINC001028862246	816297799	/nfs/dbraw/zinc/29/77/99/816297799.db2.gz	OOZABMHMLVVSOA-VYDXJSESSA-N	1	0	361.490	1.847	20	30		FDEDRO
C[NH+]=C(NCC1Cc2ccccc2C1)N[C@@H]1CCc2nc(COC)nn2C1	ZINC000261933206	816396942	/nfs/dbraw/zinc/39/69/42/816396942.db2.gz	BVPNYVHRIKXMBP-QGZVFWFLSA-N	1	0	368.485	1.319	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCN(c3ncccc3F)C2)cc1	ZINC000515832082	816463784	/nfs/dbraw/zinc/46/37/84/816463784.db2.gz	IYUCDDZHUGYIKD-IRXDYDNUSA-N	1	0	370.428	1.895	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCO)C1	ZINC001112137932	816743944	/nfs/dbraw/zinc/74/39/44/816743944.db2.gz	LAKYIBRGZQPXLE-NFAWXSAZSA-N	1	0	352.397	1.577	20	30		FDEDRO
C=C(Br)CN1C[C@@H]2CCN(C(=O)CCn3ccnn3)[C@@H]2C1	ZINC001075732327	816822178	/nfs/dbraw/zinc/82/21/78/816822178.db2.gz	MSTKYQGEDURTIS-QWHCGFSZSA-N	1	0	354.252	1.110	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CCOCC1	ZINC000506018613	816989609	/nfs/dbraw/zinc/98/96/09/816989609.db2.gz	YDMKDPOXHDBPDM-UHFFFAOYSA-N	1	0	368.441	1.167	20	30		FDEDRO
C=CCn1cc(CNC(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2C)nn1	ZINC000425797069	817051940	/nfs/dbraw/zinc/05/19/40/817051940.db2.gz	TUAZXHBXVXSPEC-UHFFFAOYSA-N	1	0	356.430	1.089	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1	ZINC000366675412	817173232	/nfs/dbraw/zinc/17/32/32/817173232.db2.gz	BYAQXPTXJFFLLS-RDGPPVDQSA-N	1	0	364.534	1.635	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)NCC1CC[NH+](CC)CC1	ZINC000517046118	817189458	/nfs/dbraw/zinc/18/94/58/817189458.db2.gz	LILCIJYZRGFVNF-UHFFFAOYSA-N	1	0	359.470	1.716	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000425872569	817265142	/nfs/dbraw/zinc/26/51/42/817265142.db2.gz	OMNKNOLOBYULBZ-OLMNPRSZSA-N	1	0	354.454	1.821	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1	ZINC000425874796	817288698	/nfs/dbraw/zinc/28/86/98/817288698.db2.gz	DHSVFNKMNUQIPN-YVSFHVDLSA-N	1	0	365.518	1.566	20	30		FDEDRO
C=CCn1cc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nn1	ZINC000425882154	817298488	/nfs/dbraw/zinc/29/84/88/817298488.db2.gz	UKCUFHOLFKJYQO-UHFFFAOYSA-N	1	0	367.457	1.609	20	30		FDEDRO
C[NH+](C)CCNC(=O)C1CCN(C(=O)C2(c3cccc(C#N)c3)CC2)CC1	ZINC000517200830	817327325	/nfs/dbraw/zinc/32/73/25/817327325.db2.gz	CODROCDGDAICGN-UHFFFAOYSA-N	1	0	368.481	1.506	20	30		FDEDRO
N#Cc1ccc(OCC[NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)cc1	ZINC000517230546	817333973	/nfs/dbraw/zinc/33/39/73/817333973.db2.gz	FMXALTJXFFAAIF-OAHLLOKOSA-N	1	0	365.389	1.184	20	30		FDEDRO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000425896888	817334290	/nfs/dbraw/zinc/33/42/90/817334290.db2.gz	ZGTARTJJHANWBX-GLJUWKHASA-N	1	0	354.454	1.677	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H](C#N)CCc3ccccc3)CC2)C1=O	ZINC000517374616	817416410	/nfs/dbraw/zinc/41/64/10/817416410.db2.gz	JVUYDSRFLQOHQG-MJGOQNOKSA-N	1	0	368.481	1.570	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1	ZINC000517453946	817448392	/nfs/dbraw/zinc/44/83/92/817448392.db2.gz	VDTRLMDTPZVYBY-UONOGXRCSA-N	1	0	358.442	1.742	20	30		FDEDRO
C[C@@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(C#N)cc1	ZINC000517565918	817493662	/nfs/dbraw/zinc/49/36/62/817493662.db2.gz	GZJZXHLNRJUASY-OAHLLOKOSA-N	1	0	371.485	1.861	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccoc1CC(N)=O	ZINC000506204428	817538781	/nfs/dbraw/zinc/53/87/81/817538781.db2.gz	PBUULHCQJHJGPF-UHFFFAOYSA-N	1	0	354.410	1.383	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)CC[NH+]1CCCC1	ZINC000439205791	817893350	/nfs/dbraw/zinc/89/33/50/817893350.db2.gz	ATEIMWMBLHRJAK-UHFFFAOYSA-N	1	0	374.441	1.076	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1	ZINC000439486530	817974654	/nfs/dbraw/zinc/97/46/54/817974654.db2.gz	OLZRLVZEJWARIN-CKFHNAJUSA-N	1	0	365.474	1.831	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001087471275	818047122	/nfs/dbraw/zinc/04/71/22/818047122.db2.gz	XHRFAQGHPNDBPT-RDGPPVDQSA-N	1	0	371.481	1.667	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2cnnn2C)C1	ZINC001087474144	818245707	/nfs/dbraw/zinc/24/57/07/818245707.db2.gz	NRGSGABQOGQQCJ-ROUUACIJSA-N	1	0	369.469	1.988	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3OCC[C@H]3C(C)C)C2)C1=O	ZINC000983688904	818556115	/nfs/dbraw/zinc/55/61/15/818556115.db2.gz	CTBKPEIDWDTHAE-TXTZMMAHSA-N	1	0	363.502	1.319	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1	ZINC000983698454	818593793	/nfs/dbraw/zinc/59/37/93/818593793.db2.gz	TYWWDELTXVIRLN-UWWQBHOKSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2snnc2C)C1	ZINC000983698117	818600216	/nfs/dbraw/zinc/60/02/16/818600216.db2.gz	KVORPBIYUCLPRO-TUVASFSCSA-N	1	0	350.488	1.812	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)c1nnnn1C1CC1	ZINC001167985773	818774331	/nfs/dbraw/zinc/77/43/31/818774331.db2.gz	MMTQCMJZYBIIKM-BPUTZDHNSA-N	1	0	362.478	1.536	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1	ZINC000983732360	818869633	/nfs/dbraw/zinc/86/96/33/818869633.db2.gz	AEVCKDZBMUXVNE-KDOFPFPSSA-N	1	0	371.485	1.585	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]Cc2cnns2)CC1	ZINC001029146598	818934775	/nfs/dbraw/zinc/93/47/75/818934775.db2.gz	SYNHNIMEXAUNDV-WQVCFCJDSA-N	1	0	350.488	1.846	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](C[C@H](O)c3cc(F)ccc3F)C[C@H]21	ZINC001075771169	819018063	/nfs/dbraw/zinc/01/80/63/819018063.db2.gz	URMGKIXZFFRUFO-KYNGSXCRSA-N	1	0	360.404	1.944	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C(=O)NC3(C#N)CC[NH+](C)CC3)cn2)C[C@@H](C)O1	ZINC000520246416	819274791	/nfs/dbraw/zinc/27/47/91/819274791.db2.gz	HEYNITOAGRPRIY-HUUCEWRRSA-N	1	0	357.458	1.413	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]CCCO[C@@H]1CCOC1	ZINC001167992509	819427326	/nfs/dbraw/zinc/42/73/26/819427326.db2.gz	YRYZQRXNTILHBN-SQNIBIBYSA-N	1	0	354.491	1.649	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C#CC2CC2)[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1	ZINC000983785590	819468746	/nfs/dbraw/zinc/46/87/46/819468746.db2.gz	PQIBOGWRNRJJIM-AEFFLSMTSA-N	1	0	357.498	1.772	20	30		FDEDRO
Cc1cn2c(n1)[C@H](CNC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)CCC2	ZINC000328658192	819524518	/nfs/dbraw/zinc/52/45/18/819524518.db2.gz	QPPHLDHOAJFHPY-IRXDYDNUSA-N	1	0	363.506	1.929	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H]2CCC(=O)NC23CCC3)CC1	ZINC000328692628	819535585	/nfs/dbraw/zinc/53/55/85/819535585.db2.gz	JGLANPLBUDJQCY-HOTGVXAUSA-N	1	0	361.490	1.310	20	30		FDEDRO
O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000328707719	819538312	/nfs/dbraw/zinc/53/83/12/819538312.db2.gz	QDNOTAJWHSRAQC-ZHALLVOQSA-N	1	0	367.490	1.283	20	30		FDEDRO
CC(=O)N1CCC[C@H](CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1	ZINC000328753112	819544273	/nfs/dbraw/zinc/54/42/73/819544273.db2.gz	SCTMZYCJHRBUHC-QZTJIDSGSA-N	1	0	366.506	1.203	20	30		FDEDRO
Cn1ccnc1[C@@H]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1	ZINC000328783385	819555691	/nfs/dbraw/zinc/55/56/91/819555691.db2.gz	NMFIMRYMGZTCFK-JKSUJKDBSA-N	1	0	361.490	1.624	20	30		FDEDRO
O=C(NCCN1CCN(C(=O)C2CCC2)CC1)c1ccc2c[nH+]cn2c1	ZINC000328798060	819558890	/nfs/dbraw/zinc/55/88/90/819558890.db2.gz	FTPQJAWUIDYOMU-UHFFFAOYSA-N	1	0	355.442	1.583	20	30		FDEDRO
Cc1nnc2n1C[C@H](CNC(=O)N1CC[C@H](C3CC[NH+](C)CC3)C1)CC2	ZINC000328871255	819573606	/nfs/dbraw/zinc/57/36/06/819573606.db2.gz	PXUUQGXLYKAQDX-RDJZCZTQSA-N	1	0	360.506	1.727	20	30		FDEDRO
CCN(CC)C(=O)N1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1	ZINC000328878963	819575031	/nfs/dbraw/zinc/57/50/31/819575031.db2.gz	UYNSRFUWBGXWEN-UHFFFAOYSA-N	1	0	365.522	1.854	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1	ZINC000983803473	819576983	/nfs/dbraw/zinc/57/69/83/819576983.db2.gz	BIPQFLYMMQYAPT-PBHICJAKSA-N	1	0	357.458	1.339	20	30		FDEDRO
C[C@@H]1CN(c2ccc(NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)cn2)C[C@H](C)O1	ZINC000328936439	819583923	/nfs/dbraw/zinc/58/39/23/819583923.db2.gz	QUVRISJRXOZTIC-UXLLHSPISA-N	1	0	359.474	1.673	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2C[C@@H](OC)C[C@H]2C(=O)N2CCCC2)CC1	ZINC000328931694	819596513	/nfs/dbraw/zinc/59/65/13/819596513.db2.gz	IBCNEMWGSSNBEW-IRXDYDNUSA-N	1	0	366.506	1.139	20	30		FDEDRO
Cc1nc(C(=O)N(C)C)ccc1C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1	ZINC000330613239	819625174	/nfs/dbraw/zinc/62/51/74/819625174.db2.gz	YPJZXGHRGHGFAE-OAHLLOKOSA-N	1	0	362.474	1.753	20	30		FDEDRO
C[C@H](CC[NH+](C)C)NC(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1	ZINC000330884690	819647382	/nfs/dbraw/zinc/64/73/82/819647382.db2.gz	KZUJJTLPABEFTG-CQSZACIVSA-N	1	0	362.478	1.135	20	30		FDEDRO
COC[C@@](C)(O)CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000458932958	819650371	/nfs/dbraw/zinc/65/03/71/819650371.db2.gz	HWVMLJUVPJHFCC-IBGZPJMESA-N	1	0	362.474	1.419	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1	ZINC000937443749	819681131	/nfs/dbraw/zinc/68/11/31/819681131.db2.gz	UWMGSVKHHZLYHU-AYOQOUSVSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)[C@@H]2C1	ZINC001075785163	819798424	/nfs/dbraw/zinc/79/84/24/819798424.db2.gz	TYUJWHRULFHVLF-ZMSDIMECSA-N	1	0	357.458	1.262	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1	ZINC000983924760	820127676	/nfs/dbraw/zinc/12/76/76/820127676.db2.gz	YLNXKMZIDSQLPP-INMHGKMJSA-N	1	0	371.485	1.585	20	30		FDEDRO
CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1)[NH+](C)C	ZINC000983929788	820146355	/nfs/dbraw/zinc/14/63/55/820146355.db2.gz	RVESOVQHFWHLHT-COXVUDFISA-N	1	0	359.474	1.583	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1	ZINC000983987666	820398074	/nfs/dbraw/zinc/39/80/74/820398074.db2.gz	VEXLHSBFXCGKTP-HFTRVMKXSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1	ZINC000427706164	820768955	/nfs/dbraw/zinc/76/89/55/820768955.db2.gz	LUMVLAWNACCHSU-LJQANCHMSA-N	1	0	370.497	1.940	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CN(Cc3nccc(C)n3)C[C@H]21	ZINC001075807649	820895821	/nfs/dbraw/zinc/89/58/21/820895821.db2.gz	NBVXHIXSAJVTEP-MLHJIOFPSA-N	1	0	356.470	1.799	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)Cc1cccc(OCC#N)c1	ZINC000366878149	820934097	/nfs/dbraw/zinc/93/40/97/820934097.db2.gz	PFGCKHXWTJNHKR-NEWSRXKRSA-N	1	0	357.454	1.842	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087537923	821010565	/nfs/dbraw/zinc/01/05/65/821010565.db2.gz	XLQOEJFTYMVETH-FGTMMUONSA-N	1	0	354.454	1.554	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@H]2COC(=O)C2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087542667	821170601	/nfs/dbraw/zinc/17/06/01/821170601.db2.gz	YVVSMXULBPFKCP-CEXWTWQISA-N	1	0	354.450	1.960	20	30		FDEDRO
C[NH+]=C(NC[C@@H](c1ccco1)N1CCCC1)NC1CCN(C(C)=O)CC1	ZINC000262163824	821244760	/nfs/dbraw/zinc/24/47/60/821244760.db2.gz	BOYIQANWLZSAIA-KRWDZBQOSA-N	1	0	361.490	1.592	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1CCn1nc(C)nc1C	ZINC001087545722	821248437	/nfs/dbraw/zinc/24/84/37/821248437.db2.gz	YZBDOIGKQIQXPX-DOTOQJQBSA-N	1	0	355.446	1.378	20	30		FDEDRO
C=CCC[C@@H](NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)OCC	ZINC000521560537	821292829	/nfs/dbraw/zinc/29/28/29/821292829.db2.gz	CBFVTAQKBLCZDQ-YLJYHZDGSA-N	1	0	360.454	1.638	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cn(C)nn2)CCN1Cc1ccc(F)c(C#N)c1	ZINC001087560676	821482293	/nfs/dbraw/zinc/48/22/93/821482293.db2.gz	KRJILAORHVOCOK-DOTOQJQBSA-N	1	0	356.405	1.609	20	30		FDEDRO
CO[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)CCn1cccn1	ZINC001211877701	821530704	/nfs/dbraw/zinc/53/07/04/821530704.db2.gz	AWZKLEUOCLZRRC-RTBURBONSA-N	1	0	370.428	1.279	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3cnccc3C)[C@H]2CC)C1=O	ZINC001087608373	821721823	/nfs/dbraw/zinc/72/18/23/821721823.db2.gz	FZHRBUMKTWVEQK-IPMKNSEASA-N	1	0	370.497	1.689	20	30		FDEDRO
C[NH+](C)CC1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000738075755	821767955	/nfs/dbraw/zinc/76/79/55/821767955.db2.gz	ISNMJWMNTCCJTC-UHFFFAOYSA-N	1	0	369.469	1.554	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087627728	821804865	/nfs/dbraw/zinc/80/48/65/821804865.db2.gz	FSEOLZAJXLPTNA-CEXWTWQISA-N	1	0	368.481	1.896	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3n[nH]c4c3CCC4)[C@H]2CC)C1=O	ZINC001087637948	821870299	/nfs/dbraw/zinc/87/02/99/821870299.db2.gz	SLNGSNWLVFAXEV-GVDBMIGSSA-N	1	0	371.485	1.268	20	30		FDEDRO
C=C(Cl)CN1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1CC	ZINC001087665621	821978262	/nfs/dbraw/zinc/97/82/62/821978262.db2.gz	ZBMCCFMIAGQOTR-SYGRHNPNSA-N	1	0	353.894	1.571	20	30		FDEDRO
N#Cc1nc(NCCCC[NH+]2CCN(CCO)CC2)ccc1C(F)(F)F	ZINC000443509279	822147676	/nfs/dbraw/zinc/14/76/76/822147676.db2.gz	IJCNGOSXFHMVEN-UHFFFAOYSA-N	1	0	371.407	1.774	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087715205	822175639	/nfs/dbraw/zinc/17/56/39/822175639.db2.gz	WTGPZLGABKHKTJ-DAYGRLMNSA-N	1	0	360.483	1.758	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1	ZINC000928771284	828419547	/nfs/dbraw/zinc/41/95/47/828419547.db2.gz	CVCGJSRJKZKVGT-UHFFFAOYSA-N	1	0	373.500	1.549	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)[C@H]1CC	ZINC001087757534	822381384	/nfs/dbraw/zinc/38/13/84/822381384.db2.gz	ZNORQCQOUHYRMR-IMBTUZDBSA-N	1	0	356.470	1.756	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](C[C@@H]2CCOC2)[C@@H]1CC	ZINC001087802165	822461873	/nfs/dbraw/zinc/46/18/73/822461873.db2.gz	ALAMHTRSCZKGKH-RYQLBKOJSA-N	1	0	357.454	1.713	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(=O)n(C)n2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087819797	822498592	/nfs/dbraw/zinc/49/85/92/822498592.db2.gz	SBBQDBGYMFLXOW-PKOBYXMFSA-N	1	0	364.449	1.415	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCc4ccc(F)cc43)C[C@@H]2O)c[nH]1	ZINC001083417963	822529166	/nfs/dbraw/zinc/52/91/66/822529166.db2.gz	LPHGGDWFZAZMGY-QRVBRYPASA-N	1	0	368.412	1.878	20	30		FDEDRO
N#Cc1ccc([C@@H]([NH2+]CCCN(C(=O)C2CCC2)C2CC2)C(N)=O)cc1	ZINC000522374027	822532139	/nfs/dbraw/zinc/53/21/39/822532139.db2.gz	CUBNPZWCJBKMDL-GOSISDBHSA-N	1	0	354.454	1.855	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(CC)CCO2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087837067	822547705	/nfs/dbraw/zinc/54/77/05/822547705.db2.gz	SKULGVHTPHMIKU-XUVXKRRUSA-N	1	0	370.497	1.748	20	30		FDEDRO
C=CCOc1cccc(C[NH2+]C[C@]2(C(=O)OC)C[C@@H]2S(C)(=O)=O)c1	ZINC000895509355	822632236	/nfs/dbraw/zinc/63/22/36/822632236.db2.gz	RNHRQPZOQVEODB-DOTOQJQBSA-N	1	0	353.440	1.317	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]Cc2cnnn2C)C1	ZINC001088315948	828465145	/nfs/dbraw/zinc/46/51/45/828465145.db2.gz	MLWFEJGMYPNUKM-NXHRZFHOSA-N	1	0	361.490	1.657	20	30		FDEDRO
C[C@@]1(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCNC1=O	ZINC000895594038	822666862	/nfs/dbraw/zinc/66/68/62/822666862.db2.gz	FWTREHVUJXRHPN-LJQANCHMSA-N	1	0	355.442	1.100	20	30		FDEDRO
CC[N@H+](C[C@@H]1CCOC1)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O	ZINC000738084121	822760143	/nfs/dbraw/zinc/76/01/43/822760143.db2.gz	YXZXLKHAXIPFQZ-KRWDZBQOSA-N	1	0	356.426	1.638	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCC(=O)N4)C[C@@H]3C2)c1	ZINC001087909412	823754333	/nfs/dbraw/zinc/75/43/33/823754333.db2.gz	LDGDYNFQWXEETK-FGTMMUONSA-N	1	0	352.438	1.117	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc4c(c3)nnn4C)CC[C@@H]2C1	ZINC001087911003	823770244	/nfs/dbraw/zinc/77/02/44/823770244.db2.gz	GGRLYWXUUBYOKM-IMJJTQAJSA-N	1	0	352.442	1.408	20	30		FDEDRO
C#CCSCC(=O)N1CCC(CC(=O)N2CCC([NH+](C)C)CC2)CC1	ZINC000895927857	823775492	/nfs/dbraw/zinc/77/54/92/823775492.db2.gz	ZJLZHFDHIYFIGO-UHFFFAOYSA-N	1	0	365.543	1.534	20	30		FDEDRO
CC(C)N1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]3C2)C1=O	ZINC001087924829	823920145	/nfs/dbraw/zinc/92/01/45/823920145.db2.gz	KQACISPJWHSQNC-SOLBZPMBSA-N	1	0	369.469	1.290	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[N@H+](CCO[C@@H]4CC4(F)F)CC[C@@H]3C2)c1	ZINC001087925490	823937191	/nfs/dbraw/zinc/93/71/91/823937191.db2.gz	PEAMIUJNVWNXHC-IJEWVQPXSA-N	1	0	364.396	1.704	20	30		FDEDRO
C#Cc1cccc(CNC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)c1	ZINC000840385706	824015110	/nfs/dbraw/zinc/01/51/10/824015110.db2.gz	KJECFNKEIMLRJA-UHFFFAOYSA-N	1	0	370.497	1.264	20	30		FDEDRO
N#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC4CCCC4)CC[C@@H]3C2)[nH]1	ZINC001087939093	824019403	/nfs/dbraw/zinc/01/94/03/824019403.db2.gz	ZAMYNIKVQGLLJW-CABCVRRESA-N	1	0	369.469	1.339	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)CC[C@@H]2C1)n1cncn1	ZINC001087940179	824035199	/nfs/dbraw/zinc/03/51/99/824035199.db2.gz	YYNLNASFOIXREW-LZQZEXGQSA-N	1	0	364.453	1.691	20	30		FDEDRO
N#Cc1cc(C(=O)N2C[C@@H]3C[N@@H+](CCCN4CCCC4=O)CC[C@@H]3C2)c[nH]1	ZINC001087940246	824036110	/nfs/dbraw/zinc/03/61/10/824036110.db2.gz	BRTNVKKFWTXXFR-WBVHZDCISA-N	1	0	369.469	1.293	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4[nH]ccc4C)C[C@@H]3C2)C1=O	ZINC001087953842	824131670	/nfs/dbraw/zinc/13/16/70/824131670.db2.gz	MTQOWASVCWMJCK-IKGGRYGDSA-N	1	0	356.470	1.504	20	30		FDEDRO
COc1cccc([C@H](O)C[N@@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)c1	ZINC001087961929	824183267	/nfs/dbraw/zinc/18/32/67/824183267.db2.gz	QBNYQGOAGSDERT-SVFBPWRDSA-N	1	0	368.477	1.922	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)C[C@@H]2C1	ZINC001087964450	824218079	/nfs/dbraw/zinc/21/80/79/824218079.db2.gz	LCWKIZNECGBIQB-PMPSAXMXSA-N	1	0	357.458	1.119	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(c4ccccn4)C[C@H]3C)C[C@@H]2C1	ZINC001087969823	824264239	/nfs/dbraw/zinc/26/42/39/824264239.db2.gz	QFPOZWLADJEVHP-AKHDSKFASA-N	1	0	352.482	1.567	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(Cn4cccn4)o3)C[C@@H]2C1	ZINC001087975724	824317680	/nfs/dbraw/zinc/31/76/80/824317680.db2.gz	IMIBYNJVGFYQPU-SJORKVTESA-N	1	0	352.438	1.942	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)N3CCO[C@@](C)(C#N)C3)cc2)CC1	ZINC000896444852	824418161	/nfs/dbraw/zinc/41/81/61/824418161.db2.gz	OSJRTEKINBAHBO-IBGZPJMESA-N	1	0	357.458	1.262	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)C[N@@H+]1Cc1ccccc1	ZINC000329050770	824548055	/nfs/dbraw/zinc/54/80/55/824548055.db2.gz	KTTVVAHJDVCSGH-SPUZQDLCSA-N	1	0	371.485	1.866	20	30		FDEDRO
CN1C[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)CC[C@@H]3C2)CC1=O	ZINC001087985507	824564058	/nfs/dbraw/zinc/56/40/58/824564058.db2.gz	SIGBNIXKLOIUJG-QRVBRYPASA-N	1	0	366.465	1.317	20	30		FDEDRO
CN1C[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)CC[C@@H]3C2)CC1=O	ZINC001087985508	824564331	/nfs/dbraw/zinc/56/43/31/824564331.db2.gz	SIGBNIXKLOIUJG-QYZOEREBSA-N	1	0	366.465	1.317	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)C[C@@H]2C1	ZINC001087985520	824630762	/nfs/dbraw/zinc/63/07/62/824630762.db2.gz	SYWDTFRISFIPIX-KURKYZTESA-N	1	0	363.502	1.228	20	30		FDEDRO
Cc1ccc(NC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)cc1N1CCNC1=O	ZINC000329150866	824632235	/nfs/dbraw/zinc/63/22/35/824632235.db2.gz	ZTBAFLWLVSEKLW-DLBZAZTESA-N	1	0	373.457	1.679	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2CCOC[C@H]2c2c(C)nn(C)c2C)CC1	ZINC000329152484	824632352	/nfs/dbraw/zinc/63/23/52/824632352.db2.gz	SYIMXSJJAPLACC-KRWDZBQOSA-N	1	0	363.506	1.851	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)COc3ccc(F)cc3F)CC2)C1=O	ZINC000329156712	824633175	/nfs/dbraw/zinc/63/31/75/824633175.db2.gz	CUHJRYZBEATRQA-OAHLLOKOSA-N	1	0	367.396	1.995	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1	ZINC000329261943	824701807	/nfs/dbraw/zinc/70/18/07/824701807.db2.gz	ZIVZFTPJGRVZOZ-LTIDMASMSA-N	1	0	367.490	1.470	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(OC)nc2)C1	ZINC001029847484	828684991	/nfs/dbraw/zinc/68/49/91/828684991.db2.gz	UBXRQYQKYVRNIB-KSZLIROESA-N	1	0	359.470	1.962	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(C(N)=O)cc2)C1	ZINC001029847763	828686541	/nfs/dbraw/zinc/68/65/41/828686541.db2.gz	XEKDRFOCUXVZEE-QRQLOZEOSA-N	1	0	371.481	1.657	20	30		FDEDRO
Cc1nc2ccccc2n1CC(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1	ZINC000329322632	824737987	/nfs/dbraw/zinc/73/79/87/824737987.db2.gz	HDJWRNVPLAXSRU-SFHVURJKSA-N	1	0	369.469	1.996	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(OCC(N)=O)c3)C[C@@H]2C1	ZINC001087986119	824748989	/nfs/dbraw/zinc/74/89/89/824748989.db2.gz	WGNKQMZEBAMNKK-MSOLQXFVSA-N	1	0	371.481	1.911	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](NC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)C1	ZINC000329390998	824767980	/nfs/dbraw/zinc/76/79/80/824767980.db2.gz	VDVBYSWEEDEKDD-IRXDYDNUSA-N	1	0	366.506	1.141	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)Cc3n[nH]c4ccccc43)CC2)C1=O	ZINC000329431126	824785450	/nfs/dbraw/zinc/78/54/50/824785450.db2.gz	KKBMXSMJAHHDRR-KRWDZBQOSA-N	1	0	355.442	1.757	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCOC[C@@H]1[C@H]1CCCO1	ZINC000329431279	824785490	/nfs/dbraw/zinc/78/54/90/824785490.db2.gz	KIZOVUDKQVVHTK-ZJPYXAASSA-N	1	0	367.490	1.158	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)CC1	ZINC000329451644	824804699	/nfs/dbraw/zinc/80/46/99/824804699.db2.gz	DVZCTEBHMJWLNT-SUMDDJOVSA-N	1	0	373.501	1.584	20	30		FDEDRO
C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)NC[C@@H]1CN(C)CCO1	ZINC000329459047	824805991	/nfs/dbraw/zinc/80/59/91/824805991.db2.gz	RMDKFVPSMPBBFB-UKRRQHHQSA-N	1	0	362.478	1.557	20	30		FDEDRO
CN(C(=O)NC[C@@H]1CCO[C@H]1c1ccnn1C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000329494390	824836927	/nfs/dbraw/zinc/83/69/27/824836927.db2.gz	IKDDWVSXXXQGOB-RBEWDSDLSA-N	1	0	361.490	1.969	20	30		FDEDRO
Cc1noc([C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C2CCOCC2)n1	ZINC000329526040	824853169	/nfs/dbraw/zinc/85/31/69/824853169.db2.gz	SWGXEOMJMPUMQK-PMPSAXMXSA-N	1	0	363.462	1.928	20	30		FDEDRO
Cc1noc([C@@H]2CCCN2C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)n1	ZINC000329553725	824876509	/nfs/dbraw/zinc/87/65/09/824876509.db2.gz	PWAQTVQXLUJBDL-OWCLPIDISA-N	1	0	363.462	1.807	20	30		FDEDRO
C[NH+]1CCN(c2ccc(NC(=O)CN3C(=O)NC(=O)C3(C)C)cn2)CC1	ZINC000329570332	824892248	/nfs/dbraw/zinc/89/22/48/824892248.db2.gz	QGTQCFIWJQBRSL-UHFFFAOYSA-N	1	0	360.418	1.592	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)CC[C@@H]2C1	ZINC001087992884	824956269	/nfs/dbraw/zinc/95/62/69/824956269.db2.gz	QOABIUSFSOQXAA-MSOLQXFVSA-N	1	0	370.497	1.690	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nccn2C(F)F)C1	ZINC000984824242	825028434	/nfs/dbraw/zinc/02/84/34/825028434.db2.gz	GGYXBUSGENJNIA-SYQHCUMBSA-N	1	0	354.401	1.854	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nccnc3C)CC[C@@H]2C1	ZINC001087998153	825075125	/nfs/dbraw/zinc/07/51/25/825075125.db2.gz	UDIVRHVOBGIGOF-HBFSDRIKSA-N	1	0	367.497	1.163	20	30		FDEDRO
CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)NC[C@]3(C)CCOC3)CC2)C1	ZINC000329630139	825082562	/nfs/dbraw/zinc/08/25/62/825082562.db2.gz	HTKKZCYKMHFYLA-MJGOQNOKSA-N	1	0	368.522	1.054	20	30		FDEDRO
Cc1cccc(NC(=O)NCC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1	ZINC000329630796	825083213	/nfs/dbraw/zinc/08/32/13/825083213.db2.gz	VPMCVSWYICOEOY-INIZCTEOSA-N	1	0	360.458	1.502	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC4(C3)CS(=O)(=O)C4)C[C@@H]2C1	ZINC001088012335	825238534	/nfs/dbraw/zinc/23/85/34/825238534.db2.gz	DJIVQJVBHVAEPG-WBVHZDCISA-N	1	0	366.527	1.558	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc4ccccn4c3=O)C[C@@H]2C1	ZINC001088016047	825269089	/nfs/dbraw/zinc/26/90/89/825269089.db2.gz	MSLQBZOGUQVFRJ-CVEARBPZSA-N	1	0	352.438	1.665	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cnc4ccc(OC)nn43)C[C@@H]2C1	ZINC001088017746	825289858	/nfs/dbraw/zinc/28/98/58/825289858.db2.gz	PYOUVEMJAVNTNZ-CABCVRRESA-N	1	0	355.442	1.708	20	30		FDEDRO
Cc1ccc(N(C)C2CCN(C([O-])=[NH+][C@H]3CCc4nc[nH]c4C3)CC2)nn1	ZINC000329686589	825302782	/nfs/dbraw/zinc/30/27/82/825302782.db2.gz	FSACYNUSDGWJPI-AWEZNQCLSA-N	1	0	369.473	1.880	20	30		FDEDRO
Cc1ccc(N2CCC[C@H](NC(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)C2)nn1	ZINC000329691267	825319535	/nfs/dbraw/zinc/31/95/35/825319535.db2.gz	WGVVKZACRWDLMC-HOTGVXAUSA-N	1	0	358.490	1.742	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)c2nnnn2C)C1	ZINC000984905277	825360262	/nfs/dbraw/zinc/36/02/62/825360262.db2.gz	JLLYPCBKDGYSCC-QXKUPLGCSA-N	1	0	362.478	1.127	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(S(N)(=O)=O)o3)C[C@@H]2C1	ZINC001088026377	825404572	/nfs/dbraw/zinc/40/45/72/825404572.db2.gz	HBLIDWUWGNQMAN-KGLIPLIRSA-N	1	0	367.471	1.287	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)c2nnc(CC)[nH]2)C1	ZINC000984916711	825429437	/nfs/dbraw/zinc/42/94/37/825429437.db2.gz	KSVFJROIHLVLMT-BWJWTDLKSA-N	1	0	361.490	1.894	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(CNC(C)=O)cc3)C[C@@H]2C1	ZINC001088030202	825440988	/nfs/dbraw/zinc/44/09/88/825440988.db2.gz	ASUBPYOZHJZESQ-UXHICEINSA-N	1	0	353.466	1.740	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(OC)cc3)C[C@@H]2C1	ZINC001088030740	825447511	/nfs/dbraw/zinc/44/75/11/825447511.db2.gz	GFHFATNSPAVZMM-CVEARBPZSA-N	1	0	355.438	1.437	20	30		FDEDRO
C=C(Cl)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCCN(C(N)=O)C3)C[C@@H]2C1	ZINC001088033193	825469428	/nfs/dbraw/zinc/46/94/28/825469428.db2.gz	XFDSKSBEMBWVNA-KFWWJZLASA-N	1	0	354.882	1.310	20	30		FDEDRO
CN1CCC(CNC(=O)c2cnn3ncccc23)([NH+]2CCCCC2)CC1	ZINC000329926620	825546009	/nfs/dbraw/zinc/54/60/09/825546009.db2.gz	KVOGCDDGDKOOSZ-UHFFFAOYSA-N	1	0	356.474	1.984	20	30		FDEDRO
CC(=O)N1CCC[C@@H](CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1	ZINC000329983072	825577237	/nfs/dbraw/zinc/57/72/37/825577237.db2.gz	AVAXTBWLQCUHAT-KRWDZBQOSA-N	1	0	366.506	1.394	20	30		FDEDRO
Cc1nn(C)c(-n2ccnc2C)c1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1	ZINC000330009839	825592115	/nfs/dbraw/zinc/59/21/15/825592115.db2.gz	HORGGXDTPNTAMW-CQSZACIVSA-N	1	0	373.505	1.411	20	30		FDEDRO
COc1cccc(NC(=O)CN(C)C(=O)CN2CC[N@@H+]3CCCC[C@@H]3C2)c1	ZINC000330082313	825625230	/nfs/dbraw/zinc/62/52/30/825625230.db2.gz	ARHXKZZYRQAOOA-QGZVFWFLSA-N	1	0	374.485	1.912	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCCN3CC3CCC3)C[C@@H]2C1	ZINC001088052989	825637655	/nfs/dbraw/zinc/63/76/55/825637655.db2.gz	PPUDRGUMWBTXRB-AABGKKOBSA-N	1	0	359.514	1.291	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@H](c2cccc(O)c2)C1	ZINC000330152873	825683484	/nfs/dbraw/zinc/68/34/84/825683484.db2.gz	MHUGCDWFSULUHK-AEFFLSMTSA-N	1	0	363.458	1.790	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CC(=O)Nc2ccc3c(c2)OCO3)CC1	ZINC000330157783	825691166	/nfs/dbraw/zinc/69/11/66/825691166.db2.gz	ZLDSYPHOQKNKDO-HNNXBMFYSA-N	1	0	374.441	1.242	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCC2(NC(=O)OC(C)(C)C)CC2)CC1	ZINC000896886852	825704197	/nfs/dbraw/zinc/70/41/97/825704197.db2.gz	BYNGCXZIOCJILM-UHFFFAOYSA-N	1	0	350.463	1.441	20	30		FDEDRO
C#CCN(C(=O)NCC1(NC(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1	ZINC000896887364	825738774	/nfs/dbraw/zinc/73/87/74/825738774.db2.gz	LLJAJWANVXVYTC-UHFFFAOYSA-N	1	0	364.490	1.783	20	30		FDEDRO
Cc1n[nH]nc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)CC[C@@H]2C1	ZINC001088062651	825758011	/nfs/dbraw/zinc/75/80/11/825758011.db2.gz	PXVJBKWODVXKHA-OLZOCXBDSA-N	1	0	356.455	1.640	20	30		FDEDRO
C[C@H]([C@H](C)NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)N1CCOCC1	ZINC000330256599	825769920	/nfs/dbraw/zinc/76/99/20/825769920.db2.gz	KUHJIPDFFPMCEY-YESZJQIVSA-N	1	0	368.522	1.195	20	30		FDEDRO
Cc1ccc(C)c(N2CCN(C(NCC(=O)N(C)C)=[NH+]C3CC3)CC2)c1	ZINC000262355952	825771228	/nfs/dbraw/zinc/77/12/28/825771228.db2.gz	ZRHMNKTYFADHLA-UHFFFAOYSA-N	1	0	357.502	1.622	20	30		FDEDRO
O=C([C@H]1CCNC1=O)N1C[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)CC[C@@H]2C1	ZINC001088065310	825790321	/nfs/dbraw/zinc/79/03/21/825790321.db2.gz	PORZVMVBSVTGQH-AOIWGVFYSA-N	1	0	369.440	1.094	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2C)CC1	ZINC000330282677	825793185	/nfs/dbraw/zinc/79/31/85/825793185.db2.gz	VMUOBWAQSOCJBB-HFTRVMKXSA-N	1	0	363.506	1.789	20	30		FDEDRO
Cc1c([C@@H]2[C@H](C(=O)NCC[N@H+]3CCC[C@H](C)C3)CC(=O)N2C)cnn1C	ZINC000330291557	825815426	/nfs/dbraw/zinc/81/54/26/825815426.db2.gz	GNMGQJOSGBOOPH-JOQOYGCGSA-N	1	0	361.490	1.936	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3cccnc3)[C@@H]2CC)CC1	ZINC000984992800	826040952	/nfs/dbraw/zinc/04/09/52/826040952.db2.gz	QZAHNVRTUOMFMK-RBUKOAKNSA-N	1	0	368.481	1.536	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H](F)CC)[C@@H]2CC)CC1	ZINC000984992749	826041133	/nfs/dbraw/zinc/04/11/33/826041133.db2.gz	QUAPZAAKLFRSGR-YESZJQIVSA-N	1	0	351.466	1.575	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3c[nH]nc3C)[C@@H]2CC)CC1	ZINC000984993433	826042628	/nfs/dbraw/zinc/04/26/28/826042628.db2.gz	ZPXLZOOPJXWKSZ-ZWKOTPCHSA-N	1	0	371.485	1.173	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C)nc(C)c4)[C@@H]3C2)C1=O	ZINC001075835401	826056072	/nfs/dbraw/zinc/05/60/72/826056072.db2.gz	PFTOXPLWGVOHDX-YTQUADARSA-N	1	0	368.481	1.632	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+](CC[C@@H]4CCOC4)CC[C@@H]3C2)c1	ZINC001088099455	826389754	/nfs/dbraw/zinc/38/97/54/826389754.db2.gz	LZTVERGAUKBVEM-GGPKGHCWSA-N	1	0	353.466	1.883	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(OC)nc3)CC[C@@H]2C1	ZINC001088112770	826444973	/nfs/dbraw/zinc/44/49/73/826444973.db2.gz	WYVQCPQMJLKWHM-HCXYKTFWSA-N	1	0	371.481	1.962	20	30		FDEDRO
N#Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4cnc[nH]4)C[C@@H]3C2)ccc1F	ZINC001088121025	826497843	/nfs/dbraw/zinc/49/78/43/826497843.db2.gz	LAJCFMMGCCWXSM-WBVHZDCISA-N	1	0	367.428	1.943	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4cnccc4C)CC[C@@H]3C2)nn1	ZINC001088133245	826572133	/nfs/dbraw/zinc/57/21/33/826572133.db2.gz	YEAQAUSEOUAXLE-AEFFLSMTSA-N	1	0	366.469	1.762	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H]3C[N@@H+](C[C@@H]4CCOC4)CC[C@@H]3C2)nn1	ZINC001088135527	826588511	/nfs/dbraw/zinc/58/85/11/826588511.db2.gz	PTCPVQGLVIIFKI-BBWFWOEESA-N	1	0	359.474	1.285	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC(=O)N(C)[C@@H]3c3cccnc3)C[C@@H]2C1	ZINC001088136608	826593042	/nfs/dbraw/zinc/59/30/42/826593042.db2.gz	XMHWKUDCJZYIQW-DOADOZAASA-N	1	0	368.481	1.567	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC3CC3)CC[C@@H]2C1	ZINC001088137717	826617894	/nfs/dbraw/zinc/61/78/94/826617894.db2.gz	ATXVZWPGUMILGQ-YEWFCNIMSA-N	1	0	361.486	1.027	20	30		FDEDRO
O=C(C[C@H]1CCC(=O)N1)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001088137789	826618868	/nfs/dbraw/zinc/61/88/68/826618868.db2.gz	DCYMIIGBJDXPJE-HSALFYBXSA-N	1	0	365.477	1.487	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@H]4CCC(=O)N4)C[C@@H]3C2)cc1	ZINC001088137956	826619480	/nfs/dbraw/zinc/61/94/80/826619480.db2.gz	MAXGNKLTIFZOBU-CEXWTWQISA-N	1	0	366.465	1.507	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3csc(-c4nc[nH]n4)n3)C[C@@H]2C1	ZINC001088138649	826624098	/nfs/dbraw/zinc/62/40/98/826624098.db2.gz	VRRDQPZRQGCFBR-OLZOCXBDSA-N	1	0	358.471	1.898	20	30		FDEDRO
C=C(C)COc1cc(C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)ccc1OC	ZINC000897057522	826840418	/nfs/dbraw/zinc/84/04/18/826840418.db2.gz	DYKYSUCKRRGGOM-OAHLLOKOSA-N	1	0	354.472	1.761	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn([C@@H]4CCOC4)nn3)C[C@@H]2C1	ZINC001088164140	826938134	/nfs/dbraw/zinc/93/81/34/826938134.db2.gz	WTMWTKBPHYWCHQ-IXDOHACOSA-N	1	0	359.474	1.600	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Cn4cccn4)on3)C[C@@H]2C1	ZINC001088165274	826943634	/nfs/dbraw/zinc/94/36/34/826943634.db2.gz	WPGUACUISHTHGO-CVEARBPZSA-N	1	0	355.442	1.889	20	30		FDEDRO
C[C@@H]1CC[N@H+](C)CCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000508652268	833142184	/nfs/dbraw/zinc/14/21/84/833142184.db2.gz	IDDLXCMDPIJFON-QAPCUYQASA-N	1	0	369.469	1.789	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1C[C@](C)(OC)C1(C)C)N1CC[C@H](CN2CCOCC2)C1	ZINC000262475980	827187569	/nfs/dbraw/zinc/18/75/69/827187569.db2.gz	ZSRMIWGADXYGKC-HLIPFELVSA-N	1	0	366.550	1.810	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)[C@H]2C)CC1	ZINC000987522383	833188123	/nfs/dbraw/zinc/18/81/23/833188123.db2.gz	HKNKPPWPKVAVJZ-LGKHCZOZSA-N	1	0	371.525	1.873	20	30		FDEDRO
N#Cc1ccc(F)cc1CN1CC[C@@H]2CN(C(=O)Cn3cncn3)C[C@@H]2C1	ZINC001088191524	827382204	/nfs/dbraw/zinc/38/22/04/827382204.db2.gz	DLERUNQIJVKSKS-WBVHZDCISA-N	1	0	368.416	1.269	20	30		FDEDRO
N#Cc1cccc([C@H]2CN(C(=O)C3C[NH+](C4CCOCC4)C3)CCO2)c1	ZINC000897252903	827400064	/nfs/dbraw/zinc/40/00/64/827400064.db2.gz	QLHQRUIKRGDKMP-LJQANCHMSA-N	1	0	355.438	1.569	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)[C@H](C1CC1)[NH+]1CCCC1	ZINC000987546565	833196924	/nfs/dbraw/zinc/19/69/24/833196924.db2.gz	GTXUWZZBHDUWLX-SKDZVZGDSA-N	1	0	369.469	1.480	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4ncccn4)C[C@H]3C2)CC1	ZINC001088212077	827493622	/nfs/dbraw/zinc/49/36/22/827493622.db2.gz	NVISEDGQRCISMS-MOPGFXCFSA-N	1	0	367.497	1.102	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3C(=O)Nc4ccccc43)C[C@@H]2C1	ZINC001088218939	827535023	/nfs/dbraw/zinc/53/50/23/827535023.db2.gz	XJOJNXJWQSZFOV-SOLBZPMBSA-N	1	0	351.450	1.916	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@H]1C	ZINC000987543927	833214968	/nfs/dbraw/zinc/21/49/68/833214968.db2.gz	YYFJQQWNTRIIPR-UKPHBRMFSA-N	1	0	357.458	1.478	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@H]1C	ZINC000987543925	833215026	/nfs/dbraw/zinc/21/50/26/833215026.db2.gz	YYFJQQWNTRIIPR-KMFMINBZSA-N	1	0	357.458	1.478	20	30		FDEDRO
C=CCC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1	ZINC001088234908	827598289	/nfs/dbraw/zinc/59/82/89/827598289.db2.gz	FQZDWMGCCZQUQY-WDSOQIARSA-N	1	0	366.502	1.696	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC2)C1	ZINC001088235148	827604644	/nfs/dbraw/zinc/60/46/44/827604644.db2.gz	LAIOFOCNGPZXLT-RCCFBDPRSA-N	1	0	356.470	1.476	20	30		FDEDRO
N#Cc1ccc(OC2CCC(NC(=O)C3C[NH+]([C@@H]4CCOC4)C3)CC2)nc1	ZINC000897288380	827726494	/nfs/dbraw/zinc/72/64/94/827726494.db2.gz	BPPVTRKHBUNJJG-LXPRWKDFSA-N	1	0	370.453	1.480	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CN(CC)CCO3)[C@@H]2CC)C1	ZINC000985428073	827804177	/nfs/dbraw/zinc/80/41/77/827804177.db2.gz	QQQFBMUIHOKWGG-BBWFWOEESA-N	1	0	363.502	1.559	20	30		FDEDRO
CCN1C[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)CC1=O	ZINC001075853083	827839225	/nfs/dbraw/zinc/83/92/25/827839225.db2.gz	CHYNLCGTRVDSIP-GBESFXJTSA-N	1	0	366.465	1.459	20	30		FDEDRO
CN1C[C@H](C(=O)N2CC[C@H]3CN(Cc4cc(C#N)ccc4F)C[C@H]32)CC1=O	ZINC001075855307	827935656	/nfs/dbraw/zinc/93/56/56/827935656.db2.gz	GCUOYVHPOWQRDC-YXJHDRRASA-N	1	0	370.428	1.208	20	30		FDEDRO
COc1cc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)ccc1OCc1cccc(C#N)c1	ZINC000444695543	828175891	/nfs/dbraw/zinc/17/58/91/828175891.db2.gz	FQIJKKHAEVMRJS-HDICACEKSA-N	1	0	354.406	1.683	20	30		FDEDRO
Cc1cc(C[NH+](C)C)ccc1NC(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000909613633	828225822	/nfs/dbraw/zinc/22/58/22/828225822.db2.gz	RNYYAGVGXKCCFJ-VHEBQXMUSA-N	1	0	356.426	1.912	20	30		FDEDRO
N#Cc1ccc([C@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)C(N)=O)cc1	ZINC000523734300	828262387	/nfs/dbraw/zinc/26/23/87/828262387.db2.gz	MITSQVXLHXGKBN-KRWDZBQOSA-N	1	0	352.394	1.572	20	30		FDEDRO
CC[N@H+](CCNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)C1CC1	ZINC000523916447	828289890	/nfs/dbraw/zinc/28/98/90/828289890.db2.gz	ZQEZPNPUFLIHHG-UHFFFAOYSA-N	1	0	355.486	1.870	20	30		FDEDRO
C=CCN(C(=O)[C@@H]1CN(C)C[C@H](C)O1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000527545542	829102044	/nfs/dbraw/zinc/10/20/44/829102044.db2.gz	WWYVFEHOYYDAAU-DAYGRLMNSA-N	1	0	370.457	1.457	20	30		FDEDRO
COCc1ccc(NCc2cnc(N3CCN(C)CC3)nc2)cc1C#N	ZINC000527764818	829176874	/nfs/dbraw/zinc/17/68/74/829176874.db2.gz	USYPWIPHJFUEEW-UHFFFAOYSA-N	1	0	352.442	1.859	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCN[C@@H](C)c1nc(COC)no1	ZINC001168101311	829226205	/nfs/dbraw/zinc/22/62/05/829226205.db2.gz	QYGBWNWUBWAXEL-YDHLFZDLSA-N	1	0	352.435	1.354	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000448908985	829304204	/nfs/dbraw/zinc/30/42/04/829304204.db2.gz	KPOVCNNNZVETAN-SJORKVTESA-N	1	0	359.474	1.086	20	30		FDEDRO
CCCCNC(=O)[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2C#N)C1	ZINC000528365636	829373267	/nfs/dbraw/zinc/37/32/67/829373267.db2.gz	LPWXEGDESCRVKC-ROUUACIJSA-N	1	0	359.470	1.926	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)CN1CC[NH+](CC2CCOCC2)CC1	ZINC000528386665	829377046	/nfs/dbraw/zinc/37/70/46/829377046.db2.gz	JJDFAFNGTHVUFE-IBGZPJMESA-N	1	0	359.470	1.342	20	30		FDEDRO
Cn1ccnc1[C@@H](O)C1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1	ZINC000528424253	829404294	/nfs/dbraw/zinc/40/42/94/829404294.db2.gz	LMGLWZHYTRRGTQ-HKUYNNGSSA-N	1	0	370.453	1.477	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2	ZINC000528523683	829436666	/nfs/dbraw/zinc/43/66/66/829436666.db2.gz	VLEQEMISSCLNBR-KURKYZTESA-N	1	0	350.418	1.833	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CCCCN3CCO)CC2)cc1	ZINC000449395336	829472414	/nfs/dbraw/zinc/47/24/14/829472414.db2.gz	POAQPDMFIDZIIZ-OAQYLSRUSA-N	1	0	356.514	1.959	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1	ZINC000528674194	829504813	/nfs/dbraw/zinc/50/48/13/829504813.db2.gz	AXBHYSARSLLVKD-UHFFFAOYSA-N	1	0	356.430	1.041	20	30		FDEDRO
C[C@@H]1C[C@@]1(C#N)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1	ZINC000449914183	829725008	/nfs/dbraw/zinc/72/50/08/829725008.db2.gz	TYYRAMGTLLLRKV-UZLBHIALSA-N	1	0	356.470	1.825	20	30		FDEDRO
CC(C)[N@H+](C[C@@H](O)COc1ccc(CC(N)=O)cc1)CC1(C#N)CCC1	ZINC000450618688	830050602	/nfs/dbraw/zinc/05/06/02/830050602.db2.gz	FOVQLWWNGSEQOL-QGZVFWFLSA-N	1	0	359.470	1.858	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CC4(C)C)C[C@@H]3C2)CC1	ZINC000985972497	830223374	/nfs/dbraw/zinc/22/33/74/830223374.db2.gz	OKSBNUQDFZPYOS-CEXWTWQISA-N	1	0	371.525	1.685	20	30		FDEDRO
CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C1)[NH+](C)C	ZINC000985974248	830225416	/nfs/dbraw/zinc/22/54/16/830225416.db2.gz	CPYBMEDECIPLIX-KEYYUXOJSA-N	1	0	357.458	1.147	20	30		FDEDRO
C[NH+](C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C1)C1CC1	ZINC000985982411	830238377	/nfs/dbraw/zinc/23/83/77/830238377.db2.gz	FERQWVUPFVPDFW-UWWQBHOKSA-N	1	0	369.469	1.147	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccnc(-n3cccn3)c2)CC1	ZINC000303887489	830335878	/nfs/dbraw/zinc/33/58/78/830335878.db2.gz	KXDNLMPYMGRRER-UHFFFAOYSA-N	1	0	371.445	1.293	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1	ZINC001059678717	830340675	/nfs/dbraw/zinc/34/06/75/830340675.db2.gz	YMIPVULCWUCQNP-LNLFQRSKSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2cn([C@H](C)COC)nc2C)[C@@H](O)C1	ZINC001083460792	837454606	/nfs/dbraw/zinc/45/46/06/837454606.db2.gz	YXDHVABHVMZRLX-XYPHTWIQSA-N	1	0	350.463	1.140	20	30		FDEDRO
COc1cccc(CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)n1	ZINC000305036404	830537771	/nfs/dbraw/zinc/53/77/71/830537771.db2.gz	SQWGXCZVPZXMMK-AWEZNQCLSA-N	1	0	361.446	1.471	20	30		FDEDRO
C=C(C)CCNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC	ZINC000453880735	831166615	/nfs/dbraw/zinc/16/66/15/831166615.db2.gz	QFRPKYCPYQBLAI-UHFFFAOYSA-N	1	0	374.485	1.858	20	30		FDEDRO
C#CCC[N@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001029921292	831231050	/nfs/dbraw/zinc/23/10/50/831231050.db2.gz	GFLJHVSWQKRMLI-QRVBRYPASA-N	1	0	353.466	1.624	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C(F)(F)F	ZINC001112204866	831268836	/nfs/dbraw/zinc/26/88/36/831268836.db2.gz	PNHIUNHHCNDTTP-QJPTWQEYSA-N	1	0	350.385	1.378	20	30		FDEDRO
[NH2+]=C(NCCOc1ncccc1F)N1CCN(c2ccc(F)cc2)CC1	ZINC000262781365	831411633	/nfs/dbraw/zinc/41/16/33/831411633.db2.gz	LCXSCGLROZLJBB-UHFFFAOYSA-N	1	0	361.396	1.876	20	30		FDEDRO
Cc1c(C(=O)N2C[C@H]3CCN(C(=O)[C@H](C)C#N)C[C@H]3C2)ccc2c[nH+]cn21	ZINC000986350668	831527459	/nfs/dbraw/zinc/52/74/59/831527459.db2.gz	DNFZYILKZBQXCM-BMFZPTHFSA-N	1	0	365.437	1.723	20	30		FDEDRO
C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1	ZINC001105428957	831809353	/nfs/dbraw/zinc/80/93/53/831809353.db2.gz	HTUQAUVJYSFJMJ-VELGLUOQSA-N	1	0	357.498	1.698	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](CCNC(=O)C[NH+](CC)CC)C1	ZINC001059724803	831835317	/nfs/dbraw/zinc/83/53/17/831835317.db2.gz	AIJFUXPEHVOMPX-LNLFQRSKSA-N	1	0	365.518	1.664	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCCOCC)C[C@H]1C(F)(F)F	ZINC001112211120	832038388	/nfs/dbraw/zinc/03/83/88/832038388.db2.gz	XVYLFPOCOMSKHZ-MGPQQGTHSA-N	1	0	350.381	1.430	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@H]3C2)CC1	ZINC000986615622	832083078	/nfs/dbraw/zinc/08/30/78/832083078.db2.gz	PCAFUPPOORLGSZ-QYZOEREBSA-N	1	0	359.514	1.991	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CCNC(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC001059733348	832085231	/nfs/dbraw/zinc/08/52/31/832085231.db2.gz	GSLDDHBGVNXNFP-UWWQBHOKSA-N	1	0	371.485	1.585	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCCOC)C1	ZINC001112216375	832378190	/nfs/dbraw/zinc/37/81/90/832378190.db2.gz	ZFTXZJTVZDPWPR-ZIAGYGMSSA-N	1	0	352.397	1.985	20	30		FDEDRO
C#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1	ZINC001105439953	832388878	/nfs/dbraw/zinc/38/88/78/832388878.db2.gz	WMNUTBSJQNSOOQ-ITTUMRLJSA-N	1	0	362.477	1.963	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C[C@H]2COC(=O)C2)CCN1Cc1ccc(F)c(C#N)c1	ZINC001088522804	832403360	/nfs/dbraw/zinc/40/33/60/832403360.db2.gz	FLSVRDKPOKFKCB-MRRJBJDNSA-N	1	0	359.401	1.730	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)C(=O)NC(N)=O)C1	ZINC001112537205	833472427	/nfs/dbraw/zinc/47/24/27/833472427.db2.gz	VETNTWCUDXCZBT-TYILLQQXSA-N	1	0	364.490	1.390	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)CC[C@@H]1CCC[N@@H+]1C	ZINC000987626108	833502882	/nfs/dbraw/zinc/50/28/82/833502882.db2.gz	RXHSKBHOJPCZOQ-KBMXLJTQSA-N	1	0	357.458	1.480	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@H]2C)c1	ZINC000987983493	833863989	/nfs/dbraw/zinc/86/39/89/833863989.db2.gz	IAWQTBAGWOZUMY-MNEFBYGVSA-N	1	0	368.481	1.655	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@H](CN(C)C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000988031846	833903357	/nfs/dbraw/zinc/90/33/57/833903357.db2.gz	PXSPKSXISGOPOB-CKEIUWERSA-N	1	0	357.458	1.147	20	30		FDEDRO
C#Cc1cncc(C(=O)N(C)C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC000988036120	833910561	/nfs/dbraw/zinc/91/05/61/833910561.db2.gz	JPRAXXYPGHFGNP-HHXXYDBFSA-N	1	0	368.481	1.324	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)c1nnn(-c2cccc3c2CC[N@@H+](C)C3)c1C	ZINC000359960707	835045817	/nfs/dbraw/zinc/04/58/17/835045817.db2.gz	PPDYFYJGUMBTMR-OAHLLOKOSA-N	1	0	355.442	1.230	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000454322578	835361291	/nfs/dbraw/zinc/36/12/91/835361291.db2.gz	MJNCPSCVEDBNHU-UXHICEINSA-N	1	0	372.513	1.967	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)Cc3ccco3)[C@@H]2C)CC1	ZINC000988505563	835653410	/nfs/dbraw/zinc/65/34/10/835653410.db2.gz	AOMFAWGSDZPYFJ-QAPCUYQASA-N	1	0	357.454	1.273	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3ccoc3C)[C@@H]2C)CC1	ZINC000988506163	835656666	/nfs/dbraw/zinc/65/66/66/835656666.db2.gz	JHKSILDWXXQUAJ-KDOFPFPSSA-N	1	0	357.454	1.652	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC3(F)F)[C@@H]2C)CC1	ZINC000988506006	835657105	/nfs/dbraw/zinc/65/71/05/835657105.db2.gz	HWNNJKOMUZUPED-YUELXQCFSA-N	1	0	353.413	1.092	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)CC2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)CC[N@@H+]1C	ZINC000988514253	835713505	/nfs/dbraw/zinc/71/35/05/835713505.db2.gz	OOSKPMKDAIETQK-RHSMWYFYSA-N	1	0	371.485	1.537	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCc2cnn(CC)c2)C[C@H]1OC	ZINC001211994487	836013441	/nfs/dbraw/zinc/01/34/41/836013441.db2.gz	AONBDUDNBYIYFY-KBAYOESNSA-N	1	0	364.490	1.242	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(=O)[nH]c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105669118	844136044	/nfs/dbraw/zinc/13/60/44/844136044.db2.gz	PJIPHLREJNQPHN-QQTQMKHKSA-N	1	0	359.470	1.943	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)[C@@H]1C	ZINC000988628387	836299414	/nfs/dbraw/zinc/29/94/14/836299414.db2.gz	IDHQNZRSLIRIGL-ZACQAIPSSA-N	1	0	358.486	1.878	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](CCOc2cc(C)ccc2C)C[C@H]1OC	ZINC001212033522	836322091	/nfs/dbraw/zinc/32/20/91/836322091.db2.gz	IOANNGSGYZBYES-IEBWSBKVSA-N	1	0	362.470	1.700	20	30		FDEDRO
Cn1cncc1C(=O)N1CC[C@H]2CN(Cc3ccc(C#N)cc3F)C[C@H]21	ZINC001075996052	844203876	/nfs/dbraw/zinc/20/38/76/844203876.db2.gz	RINPQBXAHMCJMQ-MAUKXSAKSA-N	1	0	353.401	1.777	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2ccnc2C(C)C)C1	ZINC000937963058	836926038	/nfs/dbraw/zinc/92/60/38/836926038.db2.gz	AXQSJLPKWMSUAC-XHSDSOJGSA-N	1	0	360.458	1.315	20	30		FDEDRO
CO[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)/C=C\C1CC1	ZINC001212084979	837121884	/nfs/dbraw/zinc/12/18/84/837121884.db2.gz	KJPWOIYIINUQIT-ZHHAWYBESA-N	1	0	355.438	1.871	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CCNC[C@@H]2c2nccn2C)cc1OC	ZINC000261675199	837221051	/nfs/dbraw/zinc/22/10/51/837221051.db2.gz	GXGFSEKCXSJVLF-OAHLLOKOSA-N	1	0	356.426	1.780	20	30		FDEDRO
C=CCOCC(=O)O[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000729766285	837246361	/nfs/dbraw/zinc/24/63/61/837246361.db2.gz	MUSTZMUTCNILMK-INIZCTEOSA-N	1	0	360.454	1.902	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncccc3OC)[C@H]2C(C)C)C[C@H]1O	ZINC001105669570	844259368	/nfs/dbraw/zinc/25/93/68/844259368.db2.gz	SOPRLWPITJESFD-IIZJSDIPSA-N	1	0	371.481	1.693	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@H](OCCN2CCOCC2)C1	ZINC000479018036	844280112	/nfs/dbraw/zinc/28/01/12/844280112.db2.gz	OSCYKMHVUJJHKW-LPHOPBHVSA-N	1	0	373.453	1.275	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C[C@H]2CCC(=O)N2C)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088790673	844291137	/nfs/dbraw/zinc/29/11/37/844291137.db2.gz	UDHIZOJANYICAA-OLMNPRSZSA-N	1	0	354.454	1.648	20	30		FDEDRO
C#CCC[NH+]1CCN(C[C@H](O)COc2cccc(C(=O)OCC)c2)CC1	ZINC000271998086	838421445	/nfs/dbraw/zinc/42/14/45/838421445.db2.gz	GTCUGPREDMDLPP-SFHVURJKSA-N	1	0	360.454	1.244	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2OCCO[C@H]2C)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088634078	838662080	/nfs/dbraw/zinc/66/20/80/838662080.db2.gz	VELUDJPBWLPCOF-PDWMJMLSSA-N	1	0	373.453	1.472	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C)cc1	ZINC000989215795	838737978	/nfs/dbraw/zinc/73/79/78/838737978.db2.gz	ZJYIBLLIOWXMPF-AYBZRNKSSA-N	1	0	353.466	1.729	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCN(C)C2=O)CCN1Cc1ccc(C#N)s1	ZINC001088644801	838837692	/nfs/dbraw/zinc/83/76/92/838837692.db2.gz	RYUBXUBPKBYOQP-WWGRRREGSA-N	1	0	360.483	1.567	20	30		FDEDRO
CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C(=O)N(C)C[C@H](C)C#N	ZINC000460075544	839296024	/nfs/dbraw/zinc/29/60/24/839296024.db2.gz	LNICMLNLGWAVDZ-QGZVFWFLSA-N	1	0	358.486	1.975	20	30		FDEDRO
C=CCc1cc(CNC(=O)NC[C@]2(O)CC[N@H+](C)C2)cc(OC)c1OC	ZINC000460265791	839403467	/nfs/dbraw/zinc/40/34/67/839403467.db2.gz	ZLGVUBNNSNFEBE-LJQANCHMSA-N	1	0	363.458	1.298	20	30		FDEDRO
CC#CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CCO2	ZINC001105476001	839449209	/nfs/dbraw/zinc/44/92/09/839449209.db2.gz	VQPLKKYLAGNZMB-XIRQLZCESA-N	1	0	358.482	1.563	20	30		FDEDRO
Cn1ncc(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c1C#N	ZINC000476046004	839534112	/nfs/dbraw/zinc/53/41/12/839534112.db2.gz	ZCSDDUARFVHYIA-UHFFFAOYSA-N	1	0	353.426	1.178	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CCN(C)C(=O)C2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088671638	839574120	/nfs/dbraw/zinc/57/41/20/839574120.db2.gz	PPJYNWKBPWYKOR-JLSDUUJJSA-N	1	0	354.454	1.506	20	30		FDEDRO
C[N@@H+]1C[C@@H](CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)[C@H](c2ccccc2)C1	ZINC000897574751	839630605	/nfs/dbraw/zinc/63/06/05/839630605.db2.gz	KZFWPZCKJQVVQJ-RLLQIKCJSA-N	1	0	367.497	1.714	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(CCC([NH2+]CCCO)CC2)C1	ZINC001105481699	839771648	/nfs/dbraw/zinc/77/16/48/839771648.db2.gz	AMWDATIQVDEBCE-ISXWCOSWSA-N	1	0	352.475	1.090	20	30		FDEDRO
C#CCOCCC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1C	ZINC001101961845	839783481	/nfs/dbraw/zinc/78/34/81/839783481.db2.gz	KHXFPBNNJMYGGJ-MGPQQGTHSA-N	1	0	350.381	1.024	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc1	ZINC000667518444	844473347	/nfs/dbraw/zinc/47/33/47/844473347.db2.gz	BXVJQCPZSRFZIG-MRXNPFEDSA-N	1	0	373.457	1.389	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105587508	840028913	/nfs/dbraw/zinc/02/89/13/840028913.db2.gz	IRNJYSAEHAGBES-WERVVEIQSA-N	1	0	371.481	1.311	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CN3CCCC3=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105590215	840123158	/nfs/dbraw/zinc/12/31/58/840123158.db2.gz	IVOUWVZTYSMNCP-YAJHFMINSA-N	1	0	363.502	1.151	20	30		FDEDRO
CCc1ccc(CN2CCN(C(=O)C(=O)NCCCCC#N)CC2)cc1	ZINC000897667443	840216590	/nfs/dbraw/zinc/21/65/90/840216590.db2.gz	ONXWUSWVJNHESD-UHFFFAOYSA-N	1	0	356.470	1.703	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C2CCC(C(N)=O)CC2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088689807	840587089	/nfs/dbraw/zinc/58/70/89/840587089.db2.gz	JIWQPQLBEFRKLV-UJPJLTBQSA-N	1	0	368.481	1.929	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCn3cncn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105597826	840766379	/nfs/dbraw/zinc/76/63/79/840766379.db2.gz	IGGPGGCRPYWSDJ-RWQQGDIJSA-N	1	0	361.490	1.210	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)nn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105600526	840996274	/nfs/dbraw/zinc/99/62/74/840996274.db2.gz	IXCMYMMZHXGYDS-DLVXIWMQSA-N	1	0	358.486	1.332	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN(C)C(C)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105600633	840999753	/nfs/dbraw/zinc/99/97/53/840999753.db2.gz	KQZAFYGPFWLULB-LFGUQSLTSA-N	1	0	365.518	1.397	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnsn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105600674	841002449	/nfs/dbraw/zinc/00/24/49/841002449.db2.gz	LJLLIWQVOJQXOR-DNNBLBMLSA-N	1	0	350.488	1.694	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn[nH]c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105600458	841010675	/nfs/dbraw/zinc/01/06/75/841010675.db2.gz	HUZFAKIKTLFFLZ-MTNOOBJLSA-N	1	0	362.474	1.192	20	30		FDEDRO
C[NH+]1CCC(CNC(=S)N2CCN(c3cccc(C#N)n3)CC2)CC1	ZINC000760510199	841047327	/nfs/dbraw/zinc/04/73/27/841047327.db2.gz	NKFHITGDOOARFB-UHFFFAOYSA-N	1	0	358.515	1.292	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cocn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105603013	841159776	/nfs/dbraw/zinc/15/97/76/841159776.db2.gz	CEXBVOIIJJQFID-KLICCBINSA-N	1	0	363.458	1.457	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105603956	841179536	/nfs/dbraw/zinc/17/95/36/841179536.db2.gz	QTMPGTNIHFZPLQ-UIXUWTQFSA-N	1	0	360.502	1.966	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CNC(=O)CCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105606558	841214441	/nfs/dbraw/zinc/21/44/41/841214441.db2.gz	FAKCAKBNYWYSAE-YAJHFMINSA-N	1	0	365.518	1.445	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C)c1	ZINC000989804226	841473826	/nfs/dbraw/zinc/47/38/26/841473826.db2.gz	NRUZSADSGODTEI-MNEFBYGVSA-N	1	0	368.481	1.657	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3CCOCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105610999	841748215	/nfs/dbraw/zinc/74/82/15/841748215.db2.gz	OGHVKPMLBFBOBP-UKAVVXHISA-N	1	0	362.514	1.793	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)[C@H]2C)c1	ZINC000990005158	841797021	/nfs/dbraw/zinc/79/70/21/841797021.db2.gz	KWJZJNGIUWLHMV-QAPCUYQASA-N	1	0	368.481	1.514	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)[C@H]2C)cc1	ZINC000990005715	841800494	/nfs/dbraw/zinc/80/04/94/841800494.db2.gz	ORVLAZCUQFLARK-MDZRGWNJSA-N	1	0	353.466	1.729	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C	ZINC000476856191	842184820	/nfs/dbraw/zinc/18/48/20/842184820.db2.gz	LUPAAAGJDTVUBM-HUUCEWRRSA-N	1	0	361.490	1.260	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3nnc[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105615223	842230712	/nfs/dbraw/zinc/23/07/12/842230712.db2.gz	QJBIFQXVIDSOOQ-RGCFKVTRSA-N	1	0	361.490	1.280	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCn3ccnn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619746	842239708	/nfs/dbraw/zinc/23/97/08/842239708.db2.gz	QBAYSKARSKCFFE-PSBWJHGTSA-N	1	0	361.490	1.210	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@@H]1C(C)C	ZINC001105619958	842240886	/nfs/dbraw/zinc/24/08/86/842240886.db2.gz	UKHLNCAGKPSUME-IZBJGVDFSA-N	1	0	350.503	1.529	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCC(=O)NC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105620198	842241778	/nfs/dbraw/zinc/24/17/78/842241778.db2.gz	XSKWLYRXNMSYOX-XNFNUYLZSA-N	1	0	365.518	1.445	20	30		FDEDRO
C=CCc1cc(OC)cc(C[N@H+]2CC[C@H](n3cc(C(=O)OC)nn3)C2)c1O	ZINC000760536229	842245300	/nfs/dbraw/zinc/24/53/00/842245300.db2.gz	ZTHRHUBBJFFQAK-HNNXBMFYSA-N	1	0	372.425	1.954	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccnn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105623573	842252287	/nfs/dbraw/zinc/25/22/87/842252287.db2.gz	RPMPJIXBMLUYIE-LFGUQSLTSA-N	1	0	360.502	1.505	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@@H]1C(C)C	ZINC001105631549	842265046	/nfs/dbraw/zinc/26/50/46/842265046.db2.gz	DQTBYGBTERJEOB-XSYGEPLQSA-N	1	0	350.503	1.713	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3nccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105632063	842278864	/nfs/dbraw/zinc/27/88/64/842278864.db2.gz	HZPRTYFSNUIRTC-PSBWJHGTSA-N	1	0	361.490	1.210	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCOCC3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105632484	842280032	/nfs/dbraw/zinc/28/00/32/842280032.db2.gz	LQWVHRQPSXWCAI-LFGUQSLTSA-N	1	0	350.503	1.955	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCC(=C)C)C2)[C@H]1C(C)C	ZINC001105633747	842282194	/nfs/dbraw/zinc/28/21/94/842282194.db2.gz	WIRNBMMZSXJOJK-UKAVVXHISA-N	1	0	362.514	1.959	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCC3CC3)C2)[C@H]1C(C)C	ZINC001105633591	842282355	/nfs/dbraw/zinc/28/23/55/842282355.db2.gz	VQTHVMYORMNFNB-UKAVVXHISA-N	1	0	362.514	1.793	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCF)C2)[C@@H]1C(C)C	ZINC001105633553	842282401	/nfs/dbraw/zinc/28/24/01/842282401.db2.gz	VDRYWIRIJQKYTL-FPAYPSAMSA-N	1	0	354.466	1.352	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3coc(OC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105643114	842328594	/nfs/dbraw/zinc/32/85/94/842328594.db2.gz	SXYQZXZBSCKQCI-ZIGSKRJUSA-N	1	0	363.458	1.839	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(OC)ccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105645377	842393700	/nfs/dbraw/zinc/39/37/00/842393700.db2.gz	AFRIVGRCVWMTBL-ANTGDGSKSA-N	1	0	371.481	1.693	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@@H]1C(C)C	ZINC001105647673	842414675	/nfs/dbraw/zinc/41/46/75/842414675.db2.gz	SVDGKRLMHNSYNU-PDOICOKGSA-N	1	0	352.519	1.937	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3csc(=O)[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105648318	842419888	/nfs/dbraw/zinc/41/98/88/842419888.db2.gz	XWSLZTFENRIQSB-SCFUHWHPSA-N	1	0	363.483	1.452	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4[nH]c(C)cc4C)[C@@H]3C2)C1=O	ZINC001075952508	842459233	/nfs/dbraw/zinc/45/92/33/842459233.db2.gz	GENPIRNOWUFQDU-GVDBMIGSSA-N	1	0	356.470	1.565	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH]c(=O)cc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105656594	842487441	/nfs/dbraw/zinc/48/74/41/842487441.db2.gz	RHDKFBFRPLTQPB-VGUOSERISA-N	1	0	371.481	1.699	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CCCO)C3)[C@@H]2C(C)C)C1	ZINC001105656296	842492148	/nfs/dbraw/zinc/49/21/48/842492148.db2.gz	OPQNROMNGRHXPH-WWNBULGVSA-N	1	0	350.503	1.691	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3[nH]c(C)nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105656345	842492557	/nfs/dbraw/zinc/49/25/57/842492557.db2.gz	OYHBSAFULDFACD-ZTRFORPCSA-N	1	0	358.486	1.630	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(C(=O)NC)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105660956	842641691	/nfs/dbraw/zinc/64/16/91/842641691.db2.gz	BCSKFOQCMSIOCG-YKTARERQSA-N	1	0	363.502	1.055	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc(C)nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105661031	842650549	/nfs/dbraw/zinc/65/05/49/842650549.db2.gz	CQGZGPHDYYRFDR-WERVVEIQSA-N	1	0	370.497	1.696	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)nc(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105661424	842702127	/nfs/dbraw/zinc/70/21/27/842702127.db2.gz	IONVIXUNNRBEDU-XCJLJZCSSA-N	1	0	370.497	1.696	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(C)CCOCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105662425	842759488	/nfs/dbraw/zinc/75/94/88/842759488.db2.gz	OQWHVLBBMPZVQF-IKVWTGGYSA-N	1	0	362.514	1.793	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(=O)N(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105663534	842819117	/nfs/dbraw/zinc/81/91/17/842819117.db2.gz	UGVKQPMFEKLPGQ-RGCFKVTRSA-N	1	0	351.491	1.007	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC000462103490	843314145	/nfs/dbraw/zinc/31/41/45/843314145.db2.gz	GEHLIYIOCBCMCX-JKSUJKDBSA-N	1	0	365.441	2.196	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(Cl)no3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667305	843614715	/nfs/dbraw/zinc/61/47/15/843614715.db2.gz	ALFFMXVSZFTJMA-ZHCAMHROSA-N	1	0	365.861	1.931	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccc(C)nc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105672958	845256488	/nfs/dbraw/zinc/25/64/88/845256488.db2.gz	DMTZGVXZXHZGHA-CZAYHTPWSA-N	1	0	369.509	1.922	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@H]1C(C)C	ZINC001105674058	845418145	/nfs/dbraw/zinc/41/81/45/845418145.db2.gz	RYIKZKHVUMDAKL-RWQQGDIJSA-N	1	0	354.491	1.192	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCC(N)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105674184	845458963	/nfs/dbraw/zinc/45/89/63/845458963.db2.gz	TZQFMDZWKSANHA-XNFNUYLZSA-N	1	0	365.518	1.574	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCCOCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105674958	845624190	/nfs/dbraw/zinc/62/41/90/845624190.db2.gz	JZLWYBYUMINUFN-HNBVOPMISA-N	1	0	368.518	1.582	20	30		FDEDRO
N#Cc1cccc(CN2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)c1	ZINC001077444080	861590992	/nfs/dbraw/zinc/59/09/92/861590992.db2.gz	JWWIMSLRVDKLOI-AQNXPRMDSA-N	1	0	368.481	1.094	20	30		FDEDRO
N#Cc1cccc([C@H](NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)C(F)(F)F)c1	ZINC000899186915	845921589	/nfs/dbraw/zinc/92/15/89/845921589.db2.gz	NQRYOMZHYFEWND-CABCVRRESA-N	1	0	353.344	1.999	20	30		FDEDRO
C[C@]1(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCNC(=O)C1	ZINC000899214467	845949639	/nfs/dbraw/zinc/94/96/39/845949639.db2.gz	WOOQMSFESTUFQV-FQEVSTJZSA-N	1	0	354.454	1.555	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O	ZINC001083524365	846262578	/nfs/dbraw/zinc/26/25/78/846262578.db2.gz	REVPWTINEANVJL-HBMCJLEFSA-N	1	0	369.509	1.462	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cncn4)nc3)[C@@H]2C1	ZINC001076109571	847305966	/nfs/dbraw/zinc/30/59/66/847305966.db2.gz	QIJODIBOVPORAD-DLBZAZTESA-N	1	0	352.442	1.775	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](C[C@H]4CCNC(=O)CC4)C[C@H]32)cc1	ZINC001076119319	847315616	/nfs/dbraw/zinc/31/56/16/847315616.db2.gz	JZVDYQMNFUIOCP-YZGWKJHDSA-N	1	0	365.477	1.731	20	30		FDEDRO
CN1C(=O)CC[C@H]1CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001076122225	847343389	/nfs/dbraw/zinc/34/33/89/847343389.db2.gz	QWORWQSSQVGGEE-GBESFXJTSA-N	1	0	366.465	1.602	20	30		FDEDRO
Cn1c(C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)c[nH]c1=O	ZINC001076131952	847374452	/nfs/dbraw/zinc/37/44/52/847374452.db2.gz	OFRSEASXGYGMEQ-DOTOQJQBSA-N	1	0	351.410	1.344	20	30		FDEDRO
C[NH+]1CCC(C(=O)N2CC[C@H]3CN(Cc4ccc(C#N)s4)C[C@H]32)CC1	ZINC001076206240	847558540	/nfs/dbraw/zinc/55/85/40/847558540.db2.gz	FZDFWRBDWNIZRN-MAUKXSAKSA-N	1	0	358.511	1.994	20	30		FDEDRO
C[NH+]1CCC(C(=O)N2CC[C@H]3CN(Cc4ccccc4C#N)C[C@H]32)CC1	ZINC001076206390	847560683	/nfs/dbraw/zinc/56/06/83/847560683.db2.gz	MOJAVLODXNDVPK-VQTJNVASSA-N	1	0	352.482	1.933	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)Cc4cnc[nH]4)[C@@H]3C2)cc1	ZINC001076294492	847794487	/nfs/dbraw/zinc/79/44/87/847794487.db2.gz	NVUBTOCBVRDWPQ-QFBILLFUSA-N	1	0	365.437	1.587	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3C[N@H+](CCc4ccccc4)C[C@H]32)nn1	ZINC001076336161	847881595	/nfs/dbraw/zinc/88/15/95/847881595.db2.gz	MLMZWOPATDFJRS-PKOBYXMFSA-N	1	0	351.454	1.853	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4cscn4)[C@@H]3C2)C1=O	ZINC001076327254	847889534	/nfs/dbraw/zinc/88/95/34/847889534.db2.gz	RSLIOBBBVHKMMY-NUEKZKHPSA-N	1	0	360.483	1.005	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4cscn4)[C@@H]3C2)C1=O	ZINC001076327253	847889686	/nfs/dbraw/zinc/88/96/86/847889686.db2.gz	RSLIOBBBVHKMMY-CWRNSKLLSA-N	1	0	360.483	1.005	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CCCc4nc(C)no4)C[C@H]32)cn1	ZINC001076477278	848243866	/nfs/dbraw/zinc/24/38/66/848243866.db2.gz	XYNBESNZFHGCGP-FUHWJXTLSA-N	1	0	365.437	1.533	20	30		FDEDRO
CC(=O)N1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1	ZINC001076508486	848286096	/nfs/dbraw/zinc/28/60/96/848286096.db2.gz	YAQIXUGKLBDJBL-SLFFLAALSA-N	1	0	366.465	1.459	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@H]21	ZINC001076504801	848304105	/nfs/dbraw/zinc/30/41/05/848304105.db2.gz	RYCVCKMYFSFOEI-SLFFLAALSA-N	1	0	365.477	1.364	20	30		FDEDRO
CN1C(=O)CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001076514911	848307076	/nfs/dbraw/zinc/30/70/76/848307076.db2.gz	PBVRWDVRXJGBEK-GBESFXJTSA-N	1	0	366.465	1.602	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3nc4nc(C)cc(C)n4n3)[C@@H]2C1	ZINC001076530278	848352220	/nfs/dbraw/zinc/35/22/20/848352220.db2.gz	HDINGAJYCVBFDE-JKSUJKDBSA-N	1	0	354.458	1.854	20	30		FDEDRO
CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1nn(C(C)C)cc1C#N	ZINC000249220918	849052410	/nfs/dbraw/zinc/05/24/10/849052410.db2.gz	UJXGMMJKSWFMOD-GJZGRUSLSA-N	1	0	358.446	1.359	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc4cccnc43)C[C@H]2O)[nH]1	ZINC001076897385	849280520	/nfs/dbraw/zinc/28/05/20/849280520.db2.gz	PJZLOGJJTRIHGU-QZTJIDSGSA-N	1	0	361.405	1.410	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCc4ccccc4C3)C[C@H]2O)[nH]1	ZINC001076898383	849282034	/nfs/dbraw/zinc/28/20/34/849282034.db2.gz	GGOLKHBRMRYMHU-JSNMRZPZSA-N	1	0	364.449	1.466	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1O	ZINC001077092420	849731382	/nfs/dbraw/zinc/73/13/82/849731382.db2.gz	SWJCJCJSRUHAHT-CEXWTWQISA-N	1	0	356.470	1.094	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C12CCC[NH+](CCC1)C2	ZINC001077145174	849902298	/nfs/dbraw/zinc/90/22/98/849902298.db2.gz	NOAGRMNREADUSU-BBWFWOEESA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCc1cc(C[NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)cc(OC)c1OC	ZINC000905080428	851632260	/nfs/dbraw/zinc/63/22/60/851632260.db2.gz	MFDLZHIINHKGHC-LPHOPBHVSA-N	1	0	351.443	1.424	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1ccccc1S(=O)(=O)N1CCCCC1	ZINC000913516460	862298259	/nfs/dbraw/zinc/29/82/59/862298259.db2.gz	QUZCYJCNSAWWOB-UHFFFAOYSA-N	1	0	363.483	1.156	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1ccc(CNC(=O)c2cccs2)cc1	ZINC000913516942	862301040	/nfs/dbraw/zinc/30/10/40/862301040.db2.gz	MEXGCJDLWQJIKP-UHFFFAOYSA-N	1	0	355.463	1.973	20	30		FDEDRO
Cc1ccc(I)c(C(=O)NCC#CC[NH+](C)C)c1	ZINC000913518275	862302469	/nfs/dbraw/zinc/30/24/69/862302469.db2.gz	KTXOCXQPBGHQSH-UHFFFAOYSA-N	1	0	356.207	1.894	20	30		FDEDRO
CCOC(=O)N1[C@@H](C(=O)NCC#CC[NH+](C)C)CC[C@H]1c1ccc(C)o1	ZINC000913518903	862303283	/nfs/dbraw/zinc/30/32/83/862303283.db2.gz	FWPBWGPBCLYQFM-JKSUJKDBSA-N	1	0	361.442	1.931	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@H]1CCO[C@@H]1c1cnn(Cc2ccccc2)c1	ZINC000913521665	862306526	/nfs/dbraw/zinc/30/65/26/862306526.db2.gz	IWDRCVHHYXSQFR-VQTJNVASSA-N	1	0	366.465	1.690	20	30		FDEDRO
C#CCN1CCC[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000905459878	851962884	/nfs/dbraw/zinc/96/28/84/851962884.db2.gz	IJBBRMUMYKHCHF-CQSZACIVSA-N	1	0	351.428	1.056	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)CO[C@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000913519492	862304184	/nfs/dbraw/zinc/30/41/84/862304184.db2.gz	CIOCDFDKCWWVPT-HNNXBMFYSA-N	1	0	353.463	1.084	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br	ZINC000913519623	862304417	/nfs/dbraw/zinc/30/44/17/862304417.db2.gz	HQYCSMJNJQUEPW-UHFFFAOYSA-N	1	0	358.167	1.791	20	30		FDEDRO
CN1CC[N@H+](C)CC(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000905472151	851970459	/nfs/dbraw/zinc/97/04/59/851970459.db2.gz	SORUQMVBUZXKFU-IBGZPJMESA-N	1	0	373.476	1.028	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)C[C@H]1CSCCN1C(=O)OC(C)(C)C	ZINC000913519577	862305032	/nfs/dbraw/zinc/30/50/32/862305032.db2.gz	GDOCAHZEVBZRSR-AWEZNQCLSA-N	1	0	355.504	1.410	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)nc1	ZINC000905516811	852009709	/nfs/dbraw/zinc/00/97/09/852009709.db2.gz	NTDDSWCGCWPDHT-VXGBXAGGSA-N	1	0	363.361	1.426	20	30		FDEDRO
N#Cc1ccccc1NC(=S)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000905555940	852031922	/nfs/dbraw/zinc/03/19/22/852031922.db2.gz	NLTMKMCXFSKPEJ-QGZVFWFLSA-N	1	0	373.526	1.641	20	30		FDEDRO
C[NH+](C)CC[C@H](NC[C@@H](O)COc1ccccc1C#N)c1cccnc1	ZINC000905550875	852053173	/nfs/dbraw/zinc/05/31/73/852053173.db2.gz	JIQUGPIWHZGWLR-MOPGFXCFSA-N	1	0	354.454	1.976	20	30		FDEDRO
Cn1cc([C@]2(C[NH2+]C[C@@H](O)COc3ccc(CC#N)cc3)CCCO2)cn1	ZINC000905688525	852146752	/nfs/dbraw/zinc/14/67/52/852146752.db2.gz	XLDRHIGDWCINKY-UYAOXDASSA-N	1	0	370.453	1.521	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)NC3(C4CC[NH2+]CC4)CC3)cc21	ZINC000906718771	853213157	/nfs/dbraw/zinc/21/31/57/853213157.db2.gz	XQDDSAGZJCCEIV-UHFFFAOYSA-N	1	0	367.453	1.809	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)NCCC[NH+]3CCCC3)C2=O)cc1	ZINC000486041122	853507933	/nfs/dbraw/zinc/50/79/33/853507933.db2.gz	MVHIWZYYBUIFBE-SFHVURJKSA-N	1	0	369.469	1.444	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(Br)c(C#N)c2)C1	ZINC000906933103	853530503	/nfs/dbraw/zinc/53/05/03/853530503.db2.gz	OPGFMMBHDQEHBQ-NSHDSACASA-N	1	0	372.288	1.941	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@@H](O)C2)s1	ZINC001083607447	853990426	/nfs/dbraw/zinc/99/04/26/853990426.db2.gz	YSSPPKKSHZJZBG-SJORKVTESA-N	1	0	367.434	1.243	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1	ZINC000907366606	854109807	/nfs/dbraw/zinc/10/98/07/854109807.db2.gz	MSUUGERFAXHDLL-JJXSEGSLSA-N	1	0	362.474	1.879	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCC[C@H](Oc2ccnc(C(=O)NC)c2)C1	ZINC000908204317	855189971	/nfs/dbraw/zinc/18/99/71/855189971.db2.gz	GUDUPBXNGOVNLA-INIZCTEOSA-N	1	0	360.458	1.319	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1cc2ncc(Br)cn2n1	ZINC000908436253	855421681	/nfs/dbraw/zinc/42/16/81/855421681.db2.gz	FVEDPAOVAIIVFX-UHFFFAOYSA-N	1	0	350.220	1.177	20	30		FDEDRO
O=C(N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O)[C@H]1Cc2ccccc2O1	ZINC001083618618	855472592	/nfs/dbraw/zinc/47/25/92/855472592.db2.gz	LJCSBDBRGDAWTD-SVFBPWRDSA-N	1	0	362.429	1.203	20	30		FDEDRO
C=CCn1c(-c2cccnn2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000908706221	855708340	/nfs/dbraw/zinc/70/83/40/855708340.db2.gz	JYCKILWCSLBMKX-OAHLLOKOSA-N	1	0	355.446	1.080	20	30		FDEDRO
C=CCn1c(-c2ncnc3[nH]cnc32)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C	ZINC000908711554	855713896	/nfs/dbraw/zinc/71/38/96/855713896.db2.gz	DWPVVBCCJXMNFZ-QWHCGFSZSA-N	1	0	367.461	1.668	20	30		FDEDRO
C#CCCCc1nnc(N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)n1CC	ZINC000908879075	855938601	/nfs/dbraw/zinc/93/86/01/855938601.db2.gz	PEKJPHMCMMJETF-INIZCTEOSA-N	1	0	358.490	1.045	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CC(=O)NCC(=O)NCC[NH+]1CCCCC1	ZINC000909313097	856430059	/nfs/dbraw/zinc/43/00/59/856430059.db2.gz	MYEPOFLUSSMPJQ-UHFFFAOYSA-N	1	0	356.470	1.436	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H](CC)c2ccccc2)C[C@H]1OC	ZINC001212152495	862800112	/nfs/dbraw/zinc/80/01/12/862800112.db2.gz	RTSZNJIBFPBXJG-KZNAEPCWSA-N	1	0	357.454	1.093	20	30		FDEDRO
C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NC1CC[NH+](CCCOC)CC1	ZINC000668789471	856608437	/nfs/dbraw/zinc/60/84/37/856608437.db2.gz	XALYNCBHSYAWBY-FUHWJXTLSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1	ZINC000487798090	856758059	/nfs/dbraw/zinc/75/80/59/856758059.db2.gz	KFKDJRIBOLEOBH-QGZVFWFLSA-N	1	0	365.518	1.951	20	30		FDEDRO
C#CCCCc1nnc(N(C)[C@@H]2CC[N@@H+](C3CC3)C2)n1C[C@H]1CCOC1	ZINC000910141560	856900092	/nfs/dbraw/zinc/90/00/92/856900092.db2.gz	HCEGJJWLDDNZCX-SJLPKXTDSA-N	1	0	357.502	1.943	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1	ZINC000488144912	857197648	/nfs/dbraw/zinc/19/76/48/857197648.db2.gz	GUSVJYSNDBWNCC-HNNXBMFYSA-N	1	0	360.458	1.600	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCN2Cc2ccccc2)CC1	ZINC000668835530	857506905	/nfs/dbraw/zinc/50/69/05/857506905.db2.gz	CAEYBMUSLUKGGI-IBGZPJMESA-N	1	0	370.497	1.144	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)O[C@](C)(C(F)F)C2)CC1	ZINC000668836496	857520311	/nfs/dbraw/zinc/52/03/11/857520311.db2.gz	ZXNWWCOBELZWPL-PXAZEXFGSA-N	1	0	359.417	1.024	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC3(CCCC3)OC[C@@H]2C)CC1	ZINC000668836201	857524574	/nfs/dbraw/zinc/52/45/74/857524574.db2.gz	SUBWTPMXZLQTPH-INIZCTEOSA-N	1	0	363.502	1.703	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)O[C@@](C)(C(F)F)C2)CC1	ZINC000668835960	857525785	/nfs/dbraw/zinc/52/57/85/857525785.db2.gz	NHZWTSWKCSMYKB-FZKQIMNGSA-N	1	0	373.444	1.414	20	30		FDEDRO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1	ZINC000910728487	857562362	/nfs/dbraw/zinc/56/23/62/857562362.db2.gz	IFMREEXTKVOYCB-GZRFBZBPSA-N	1	0	354.454	1.488	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2[C@H](C)CO)CC1	ZINC000668842255	857715605	/nfs/dbraw/zinc/71/56/05/857715605.db2.gz	JZVVMADFSRXPMH-WBVHZDCISA-N	1	0	351.491	1.153	20	30		FDEDRO
C#CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)C1	ZINC000910831201	857774272	/nfs/dbraw/zinc/77/42/72/857774272.db2.gz	WHOHXOAWYMFGSC-DLBZAZTESA-N	1	0	354.454	1.381	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1=O	ZINC000348568849	857954878	/nfs/dbraw/zinc/95/48/78/857954878.db2.gz	HDNLSTXQYDRFQU-GOSISDBHSA-N	1	0	373.453	1.784	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1	ZINC000911359948	858518969	/nfs/dbraw/zinc/51/89/69/858518969.db2.gz	GRTMCRSKYOVTRN-OAHLLOKOSA-N	1	0	351.491	1.451	20	30		FDEDRO
C=CCCC[C@H](NC(=O)C(=O)NCCN1CCC([NH3+])CC1)c1ccccc1	ZINC000911364941	858526894	/nfs/dbraw/zinc/52/68/94/858526894.db2.gz	JDCAGJNHXASQNV-IBGZPJMESA-N	1	0	372.513	1.740	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C	ZINC000911388361	858551288	/nfs/dbraw/zinc/55/12/88/858551288.db2.gz	INJXFLDFOFYVQQ-CRAIPNDOSA-N	1	0	356.470	1.657	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1	ZINC000911402922	858590534	/nfs/dbraw/zinc/59/05/34/858590534.db2.gz	JYRUSUYQTLTLRS-KRWDZBQOSA-N	1	0	358.417	1.304	20	30		FDEDRO
C=CCN(C(=O)C(=O)NCc1ccc(CN2CC[NH2+]CC2)cc1)C(C)C	ZINC000911410426	858596842	/nfs/dbraw/zinc/59/68/42/858596842.db2.gz	AKUOLLWDGPYHOR-UHFFFAOYSA-N	1	0	358.486	1.131	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1C#N	ZINC000911432407	858613824	/nfs/dbraw/zinc/61/38/24/858613824.db2.gz	OATGUJYWLWTPGV-RBUKOAKNSA-N	1	0	362.433	1.436	20	30		FDEDRO
C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCCCCN1CC[NH2+]CC1	ZINC000911435158	858617011	/nfs/dbraw/zinc/61/70/11/858617011.db2.gz	CZGVNVLSRWQCMI-ROUUACIJSA-N	1	0	364.534	1.429	20	30		FDEDRO
C[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000488806098	858751952	/nfs/dbraw/zinc/75/19/52/858751952.db2.gz	UJNANXRSJVXSNU-SUMDDJOVSA-N	1	0	374.460	1.237	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1	ZINC000911556806	858761439	/nfs/dbraw/zinc/76/14/39/858761439.db2.gz	LWHVXEUYSJUWAW-SFHVURJKSA-N	1	0	356.470	1.944	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N(CCO)C1CC[NH+](C)CC1	ZINC000911936220	859161328	/nfs/dbraw/zinc/16/13/28/859161328.db2.gz	ZYBSLAPDSRMIFB-UHFFFAOYSA-N	1	0	361.490	1.261	20	30		FDEDRO
CC(C)C[NH2+]C1(CO)CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1	ZINC000912586452	859916589	/nfs/dbraw/zinc/91/65/89/859916589.db2.gz	BJBNWCYUQQNHQP-UHFFFAOYSA-N	1	0	358.438	1.366	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)Cc1cc(C)on1	ZINC000669036115	860893532	/nfs/dbraw/zinc/89/35/32/860893532.db2.gz	SKKIVNBAEPBAHV-CVEARBPZSA-N	1	0	358.446	1.933	20	30		FDEDRO
C=CCn1c(-c2cn(C)nn2)nnc1N1CCC([NH+]2CCCCC2)CC1	ZINC000669039556	860925341	/nfs/dbraw/zinc/92/53/41/860925341.db2.gz	OUVLIPPVIJGEAI-UHFFFAOYSA-N	1	0	356.478	1.714	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1	ZINC000912976914	861141877	/nfs/dbraw/zinc/14/18/77/861141877.db2.gz	DPLTZHCBOOHQNS-KRWDZBQOSA-N	1	0	366.483	1.498	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(Cl)o2)C[C@H]1C	ZINC001105825089	863390245	/nfs/dbraw/zinc/39/02/45/863390245.db2.gz	RLIDGMISDULXAN-FRRDWIJNSA-N	1	0	353.850	1.921	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C)c1nnnn1C1CC1	ZINC001105846077	863474582	/nfs/dbraw/zinc/47/45/82/863474582.db2.gz	HJPXETLHZQRYLV-FRRDWIJNSA-N	1	0	363.491	1.010	20	30		FDEDRO
CCC[C@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C	ZINC001105848118	863493791	/nfs/dbraw/zinc/49/37/91/863493791.db2.gz	OUSYDMIBHOYGKD-QLFBSQMISA-N	1	0	354.520	1.232	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)OCC)C[C@H]2C)c1	ZINC001105857245	863531783	/nfs/dbraw/zinc/53/17/83/863531783.db2.gz	JVMZPFHCKZJKCJ-JFIYKMOQSA-N	1	0	371.481	1.716	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CCSCC)C[C@H]2C)C1=O	ZINC001105873806	863575719	/nfs/dbraw/zinc/57/57/19/863575719.db2.gz	MAFCXJYGOSSCIV-OAGGEKHMSA-N	1	0	353.532	1.601	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC(=O)N(C(C)C)C2)C[C@H]1C(F)(F)F	ZINC001112110334	863725959	/nfs/dbraw/zinc/72/59/59/863725959.db2.gz	KFUPROIPUHUWJK-BFHYXJOUSA-N	1	0	361.408	1.798	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)/C(C)=C\CC)C[C@H]1C	ZINC001105896881	863778452	/nfs/dbraw/zinc/77/84/52/863778452.db2.gz	GJWOFYQCAJQEOV-KWLXYHDNSA-N	1	0	350.463	1.039	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)COC(C)C)C[C@H]1C	ZINC001105902888	863818041	/nfs/dbraw/zinc/81/80/41/863818041.db2.gz	NTPGVJUDVUYKJA-IAGOWNOFSA-N	1	0	351.491	1.296	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1	ZINC001060320816	863901733	/nfs/dbraw/zinc/90/17/33/863901733.db2.gz	BIHYVIZNDIMTPR-RYRKJORJSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nn(CC)nc2C)[C@H](C)C1	ZINC001105909908	863917113	/nfs/dbraw/zinc/91/71/13/863917113.db2.gz	MKVLYMVLMJRDJA-DJIMGWMZSA-N	1	0	363.506	1.772	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nc(CC)no2)[C@H](C)C1	ZINC001105910828	863926861	/nfs/dbraw/zinc/92/68/61/863926861.db2.gz	YHLDVLZSTYNVHU-RBSFLKMASA-N	1	0	350.463	1.797	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCN(CC(F)(F)F)C2)C[C@H]1C(F)(F)F	ZINC001099298615	881714066	/nfs/dbraw/zinc/71/40/66/881714066.db2.gz	XSWCBWMOHOHWQK-QJPTWQEYSA-N	1	0	371.325	1.483	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NCC(C)C)[C@H](C)C1	ZINC001105923223	864031029	/nfs/dbraw/zinc/03/10/29/864031029.db2.gz	QZVQFXGTMZUAPG-OWCLPIDISA-N	1	0	366.506	1.507	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)[C@H](C)CC(C)C)[C@H](C)C1	ZINC001105941734	864151816	/nfs/dbraw/zinc/15/18/16/864151816.db2.gz	JPUAMUZRHGSQMA-KZNAEPCWSA-N	1	0	367.534	1.766	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2cn(C)nc2C)C[C@H]1C	ZINC001105956434	864224632	/nfs/dbraw/zinc/22/46/32/864224632.db2.gz	SWRSOHUKNMPWEK-ZWNOBZJWSA-N	1	0	355.280	1.935	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccn(C)c2)C[C@H]1C	ZINC001106006123	864574404	/nfs/dbraw/zinc/57/44/04/864574404.db2.gz	SYSOJXYTDVURSV-SJLPKXTDSA-N	1	0	360.502	1.747	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1CN(CC(=O)N(C)C2CCCCC2)C[C@H]1OC	ZINC001212185514	864627669	/nfs/dbraw/zinc/62/76/69/864627669.db2.gz	VVMVRARISVMDOL-QZTJIDSGSA-N	1	0	363.502	1.396	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]CC(=O)N1CCC[C@H](C)C1	ZINC001106016054	864656307	/nfs/dbraw/zinc/65/63/07/864656307.db2.gz	QLINSQQLJGMUNY-ARFHVFGLSA-N	1	0	371.485	1.443	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C)C(=O)N1CCCCC1	ZINC001106020338	864717923	/nfs/dbraw/zinc/71/79/23/864717923.db2.gz	BTIKPAXHCPDWJG-OWCLPIDISA-N	1	0	371.485	1.585	20	30		FDEDRO
C[C@@H](NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C)C1CC1	ZINC001106021585	864722375	/nfs/dbraw/zinc/72/23/75/864722375.db2.gz	YVZCGRDSHCGXKM-UMVBOHGHSA-N	1	0	357.458	1.099	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@@H]2CC[N@@H+](C)C2)cc1	ZINC001004871516	881804633	/nfs/dbraw/zinc/80/46/33/881804633.db2.gz	SSDPZDZDPGBCFF-NBYUQASBSA-N	1	0	365.477	1.871	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2C)[C@H](C)C1	ZINC001106028974	864873720	/nfs/dbraw/zinc/87/37/20/864873720.db2.gz	CCTXMGXSCJDOCD-NVXWUHKLSA-N	1	0	359.445	1.458	20	30		FDEDRO
CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2cc(C#N)ccc2F)[C@H](C)C1	ZINC001106033126	864922349	/nfs/dbraw/zinc/92/23/49/864922349.db2.gz	BEXUZIZGAWWRIU-CZUORRHYSA-N	1	0	360.433	1.408	20	30		FDEDRO
CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)[C@H](C)C1	ZINC001106033434	864923472	/nfs/dbraw/zinc/92/34/72/864923472.db2.gz	PWVNGNTTXVDSEO-CZUORRHYSA-N	1	0	360.433	1.408	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NCCCOC)[C@H](C)C1	ZINC001106057144	865053007	/nfs/dbraw/zinc/05/30/07/865053007.db2.gz	VBMGKFOKGDDKCC-IXDOHACOSA-N	1	0	351.491	1.015	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(C)(C)C)[C@H](C)C1	ZINC001106064715	865108752	/nfs/dbraw/zinc/10/87/52/865108752.db2.gz	FPENTSOORYWXAZ-SPYBWZPUSA-N	1	0	353.507	1.160	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1	ZINC001060394330	865127803	/nfs/dbraw/zinc/12/78/03/865127803.db2.gz	BIXJKMFANAPRFW-LNLFQRSKSA-N	1	0	365.518	1.664	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)CC(C)(C)O)C[C@H]2C)c1	ZINC001106068508	865142609	/nfs/dbraw/zinc/14/26/09/865142609.db2.gz	IAHJUQCWMRSVLW-NVXWUHKLSA-N	1	0	371.481	1.452	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2nccc(C)n2)C[C@H]1C	ZINC001106070755	865160867	/nfs/dbraw/zinc/16/08/67/865160867.db2.gz	BOQQIYUTBCODGA-ZWNOBZJWSA-N	1	0	353.264	1.991	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](C[C@H](OC)C3CCC3)[C@@H]2C)nn1	ZINC001088911252	865399674	/nfs/dbraw/zinc/39/96/74/865399674.db2.gz	HBVVCECMTRHYGQ-HFTRVMKXSA-N	1	0	361.490	1.862	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2oc(CC)cc2C)C[C@H]1C	ZINC001106882629	881889822	/nfs/dbraw/zinc/88/98/22/881889822.db2.gz	YJMJNJKKGJOQFR-OWCLPIDISA-N	1	0	359.470	1.586	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](CCOC2CCC2)[C@@H]1C	ZINC001088989644	865944910	/nfs/dbraw/zinc/94/49/10/865944910.db2.gz	FHFIHXKVOBABHF-QAPCUYQASA-N	1	0	357.454	1.855	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C[C@@H]3CCNC(=O)CC3)[C@@H]2C)cn1	ZINC001088991046	865956713	/nfs/dbraw/zinc/95/67/13/865956713.db2.gz	FMALBTXLNHISSS-VKJFTORMSA-N	1	0	354.454	1.172	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)[C@H](OC)C2)CC1	ZINC000946770699	881980013	/nfs/dbraw/zinc/98/00/13/881980013.db2.gz	RPLHDTLLBPBWOG-CGTJXYLNSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001061615552	882068647	/nfs/dbraw/zinc/06/86/47/882068647.db2.gz	QBEKAVNMRHEFRI-VHDGCEQUSA-N	1	0	371.909	1.449	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1	ZINC000992038550	867373766	/nfs/dbraw/zinc/37/37/66/867373766.db2.gz	YLNNXDMHYJWLFH-BZSNNMDCSA-N	1	0	363.502	1.415	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000992039239	867383190	/nfs/dbraw/zinc/38/31/90/867383190.db2.gz	XJUSPDAYOARYIW-IBGATYGBSA-N	1	0	357.458	1.241	20	30		FDEDRO
C=CCn1c(-c2cccnc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000669806878	867574676	/nfs/dbraw/zinc/57/46/76/867574676.db2.gz	MOJQPEYXAMEJLT-KRWDZBQOSA-N	1	0	354.458	1.827	20	30		FDEDRO
CC(C)N(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c[nH]c(C#N)c1)C2	ZINC001112311181	867590080	/nfs/dbraw/zinc/59/00/80/867590080.db2.gz	ACOLBFSREGEUCV-JXFKEZNVSA-N	1	0	371.485	1.585	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cncs2)C1	ZINC001112312268	867730984	/nfs/dbraw/zinc/73/09/84/867730984.db2.gz	QHQOTHDMNUIMLB-KSSFIOAISA-N	1	0	360.483	1.001	20	30		FDEDRO
CC(C)C[C@H](NC(=O)[C@@H](C)c1cccc(C#N)c1)C(=O)NCC[NH+](C)C	ZINC000462270216	867897169	/nfs/dbraw/zinc/89/71/69/867897169.db2.gz	IGFPQSFFUCEKQV-YJBOKZPZSA-N	1	0	358.486	1.870	20	30		FDEDRO
COc1cc(CNC(=O)N2CCC(OCC[NH+](C)C)CC2)ccc1C#N	ZINC000462482158	868003825	/nfs/dbraw/zinc/00/38/25/868003825.db2.gz	VMXRZODJLMVZLH-UHFFFAOYSA-N	1	0	360.458	1.819	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]Cc2nnc3n2CCCCC3)[C@H](C)C1	ZINC001106100009	868058257	/nfs/dbraw/zinc/05/82/57/868058257.db2.gz	WXGJTZRBJUQDCR-IAGOWNOFSA-N	1	0	357.502	1.848	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@]3(NC(=O)[C@H]4C[C@H]4C(N)=O)CCC[C@H]23)cc1F	ZINC000992177576	868174520	/nfs/dbraw/zinc/17/45/20/868174520.db2.gz	JZOQSATVRZEKOL-TXDAXLQXSA-N	1	0	370.428	1.432	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]C[C@@H](O)COCc1ccco1	ZINC001106106493	868190591	/nfs/dbraw/zinc/19/05/91/868190591.db2.gz	ZVOOVARPFQGGBY-KBAYOESNSA-N	1	0	360.454	1.255	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C[NH2+]CC1CCS(=O)(=O)CC1	ZINC001106109273	868296925	/nfs/dbraw/zinc/29/69/25/868296925.db2.gz	ILGQXJMTQMASPR-NVXWUHKLSA-N	1	0	368.543	1.545	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cc(C#N)ccc2OC)[C@H](C)C1	ZINC001106110639	868372937	/nfs/dbraw/zinc/37/29/37/868372937.db2.gz	BKUDGQUERAVSOV-GPMSIDNRSA-N	1	0	369.465	1.789	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nc3ccccc3n2C)[C@H](C)C1	ZINC001106111716	868397825	/nfs/dbraw/zinc/39/78/25/868397825.db2.gz	QAHVPKTYDHFDFX-BRWVUGGUSA-N	1	0	368.481	1.796	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(N)=O)[C@H](C)C2)cc1	ZINC001106113594	868473671	/nfs/dbraw/zinc/47/36/71/868473671.db2.gz	GZFOZFLHXNKWBB-BFYDXBDKSA-N	1	0	357.454	1.260	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)Cc2ccccc2)[C@H](C)C1	ZINC001106114573	868497864	/nfs/dbraw/zinc/49/78/64/868497864.db2.gz	CWWMWJSVMMVAOZ-RLLQIKCJSA-N	1	0	358.482	1.314	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)n2CCC)[C@H](C)C1	ZINC001106115043	868513907	/nfs/dbraw/zinc/51/39/07/868513907.db2.gz	NEKIQOSADNXNJM-NVXWUHKLSA-N	1	0	361.490	1.221	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1[N@H+](CCc1ccnn1C)CC2	ZINC000992238554	868543314	/nfs/dbraw/zinc/54/33/14/868543314.db2.gz	FLCWEBXPDYIWFF-RMJJICAUSA-N	1	0	358.486	1.667	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]CCOCc2ccccc2)[C@H](C)C1	ZINC001106117191	868587169	/nfs/dbraw/zinc/58/71/69/868587169.db2.gz	JLEWAMGZLXUGRW-UYAOXDASSA-N	1	0	358.482	1.927	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)cc1	ZINC000464102780	868809554	/nfs/dbraw/zinc/80/95/54/868809554.db2.gz	UNKASQFHKAZBHP-SFHVURJKSA-N	1	0	364.405	1.702	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccoc1Cl)C2	ZINC001112328040	868843023	/nfs/dbraw/zinc/84/30/23/868843023.db2.gz	LZVLCDZTKHUKBL-UGSOOPFHSA-N	1	0	363.845	1.514	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1	ZINC000464800924	869019239	/nfs/dbraw/zinc/01/92/39/869019239.db2.gz	HQQROAAHLNUIOQ-OXJNMPFZSA-N	1	0	354.454	1.924	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Cc1c(F)cccc1C#N	ZINC000509208579	882285249	/nfs/dbraw/zinc/28/52/49/882285249.db2.gz	FCGNQIIPRMHYRJ-KRWDZBQOSA-N	1	0	360.433	1.299	20	30		FDEDRO
CC(C)(C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@@H]1O)[NH+]1CCCC1	ZINC001083696278	869341939	/nfs/dbraw/zinc/34/19/39/869341939.db2.gz	SOPYCWWTDKYMHD-MSOLQXFVSA-N	1	0	356.470	1.094	20	30		FDEDRO
C[NH+](C)CC1(O)CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1	ZINC000913677095	869354236	/nfs/dbraw/zinc/35/42/36/869354236.db2.gz	ZWIHRBTYKCNHEE-UHFFFAOYSA-N	1	0	356.348	1.501	20	30		FDEDRO
C#CC[C@@H](CO)NC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1	ZINC000913871512	869842382	/nfs/dbraw/zinc/84/23/82/869842382.db2.gz	GCXHIUXQZAOAKW-PKOBYXMFSA-N	1	0	359.470	1.906	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)C(C)(F)F)C[C@]3(C)C2)CC1	ZINC000992509646	869873586	/nfs/dbraw/zinc/87/35/86/869873586.db2.gz	MEBZJPCZNYFEKW-QAPCUYQASA-N	1	0	367.440	1.294	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CCc2nnn(C)c2C1)C(C)C	ZINC000914127620	870949439	/nfs/dbraw/zinc/94/94/39/870949439.db2.gz	MRPZAQIYDNXLQI-YJBOKZPZSA-N	1	0	360.506	1.670	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccc(C(=O)NC)c2)C1	ZINC001033434174	882476561	/nfs/dbraw/zinc/47/65/61/882476561.db2.gz	BYEZEYVBJPKSAE-QRVBRYPASA-N	1	0	371.481	1.670	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)NC(=O)c2ccoc2)C[C@H]1C	ZINC001106169610	871558428	/nfs/dbraw/zinc/55/84/28/871558428.db2.gz	FZJFHDWACXSCIW-OSAQELSMSA-N	1	0	353.850	1.835	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H](C)C2CCN(C(=O)OC)CC2)CC1	ZINC000922070547	871801806	/nfs/dbraw/zinc/80/18/06/871801806.db2.gz	RMHAJQAGAVXNNN-CQSZACIVSA-N	1	0	350.463	1.250	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1	ZINC000922082756	871928754	/nfs/dbraw/zinc/92/87/54/871928754.db2.gz	WMUMMSJOKBZXIT-WFASDCNBSA-N	1	0	356.879	1.765	20	30		FDEDRO
CS(=O)(=O)NC1CC([NH2+]Cc2cc(C#N)ccc2Br)C1	ZINC000922107738	872080932	/nfs/dbraw/zinc/08/09/32/872080932.db2.gz	CWPLTLZXJXNCDI-UHFFFAOYSA-N	1	0	358.261	1.491	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)C[C@H](C)N1CC#N	ZINC000922130527	872289020	/nfs/dbraw/zinc/28/90/20/872289020.db2.gz	CMGOLBMVLAFBKX-CALCHBBNSA-N	1	0	357.502	1.918	20	30		FDEDRO
C#CCN(C(=O)NCCNC(=O)c1ccccc1F)C1CC[NH+](C)CC1	ZINC000914312374	872309000	/nfs/dbraw/zinc/30/90/00/872309000.db2.gz	YEWABZSMVDKQMH-UHFFFAOYSA-N	1	0	360.433	1.295	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@]2(C)C1	ZINC000992808789	872424872	/nfs/dbraw/zinc/42/48/72/872424872.db2.gz	XSZSRVKVPKCTOG-XAUMDUMWSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccnn2C(C)C)C[C@H]1C	ZINC001106181509	873021879	/nfs/dbraw/zinc/02/18/79/873021879.db2.gz	QDYHAUCEYORPGF-OWCLPIDISA-N	1	0	361.490	1.452	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C[NH2+]CCOCCNC(C)=O)[C@H](C)C1	ZINC001106183827	873081178	/nfs/dbraw/zinc/08/11/78/873081178.db2.gz	QCRLHMFUBDYLAF-NVXWUHKLSA-N	1	0	353.507	1.426	20	30		FDEDRO
C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1CN(C(=O)c1cc3c[nH]ccc-3n1)C2	ZINC000992894797	873104378	/nfs/dbraw/zinc/10/43/78/873104378.db2.gz	GQXCXZGKBHYZSK-HRAATJIYSA-N	1	0	362.433	1.897	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1	ZINC000992898297	873138669	/nfs/dbraw/zinc/13/86/69/873138669.db2.gz	KBGBNPFSQBIWTQ-WAOWUJCRSA-N	1	0	357.498	1.581	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c(C)cccc2C)C[C@H]1C	ZINC001106190069	873242694	/nfs/dbraw/zinc/24/26/94/873242694.db2.gz	RMQOIADEJOTLEE-QZTJIDSGSA-N	1	0	357.498	1.832	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2nnc(C)s2)[C@H](C)C1	ZINC001106193180	873273413	/nfs/dbraw/zinc/27/34/13/873273413.db2.gz	BNMKUGOWGUCNTD-TZMCWYRMSA-N	1	0	365.503	1.825	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)COCC(F)(F)F)[C@H](C)C1	ZINC001106194360	873274636	/nfs/dbraw/zinc/27/46/36/873274636.db2.gz	LJICLKOLJMNMAX-KFWWJZLASA-N	1	0	366.424	1.967	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](C[NH2+]Cc2nc(C)no2)[C@H](C)C1)OCC	ZINC001106197288	873455293	/nfs/dbraw/zinc/45/52/93/873455293.db2.gz	OREDMTOFHFNURY-BMFZPTHFSA-N	1	0	350.463	1.933	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(C(=O)C#CC4CC4)C[C@@]3(C)C2)CC[N@@H+]1C	ZINC000992993313	873535318	/nfs/dbraw/zinc/53/53/18/873535318.db2.gz	MZUJVKCUGJFBJP-IIMDRIAPSA-N	1	0	357.498	1.437	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](C[NH2+]CCN2CCCC2=O)[C@H](C)C1)OCC	ZINC001106198649	873605550	/nfs/dbraw/zinc/60/55/50/873605550.db2.gz	IKECQHSQNHBOMK-KZNAEPCWSA-N	1	0	365.518	1.664	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C)C1	ZINC000993024241	873733597	/nfs/dbraw/zinc/73/35/97/873733597.db2.gz	JIXPJGIBXYWJPY-OPYAIIAOSA-N	1	0	357.498	1.581	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)Cc2cnn(C)c2C)C[C@H]1C	ZINC001106226518	873987047	/nfs/dbraw/zinc/98/70/47/873987047.db2.gz	BFKNVIZUOPURDL-IAQYHMDHSA-N	1	0	369.307	1.864	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3nnnn3CCC)[C@H](C)C2)CCC1	ZINC001106235600	874048874	/nfs/dbraw/zinc/04/88/74/874048874.db2.gz	WMZUOUMFOMOJPM-HZPDHXFCSA-N	1	0	358.490	1.461	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)[C@H](C)C1	ZINC001106252228	874144788	/nfs/dbraw/zinc/14/47/88/874144788.db2.gz	HKBBSEMHGGDGBQ-HZPDHXFCSA-N	1	0	360.502	1.887	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(C)C)[C@H](C)C1	ZINC001106252283	874144798	/nfs/dbraw/zinc/14/47/98/874144798.db2.gz	KFNCQFJCNFIBDK-IAGOWNOFSA-N	1	0	360.502	1.744	20	30		FDEDRO
C[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@]3(C)C2)CC1	ZINC000993078336	874220038	/nfs/dbraw/zinc/22/00/38/874220038.db2.gz	SWHQYLZYPLERJJ-MGPUTAFESA-N	1	0	369.469	1.149	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3nc(C)oc3c2)C[C@H]1C	ZINC001106280851	874393702	/nfs/dbraw/zinc/39/37/02/874393702.db2.gz	WNWWPFQVVMNROV-CZUORRHYSA-N	1	0	368.437	1.183	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2cncs2)C[C@H]1C	ZINC001106286630	874480483	/nfs/dbraw/zinc/48/04/83/874480483.db2.gz	LHBTYVZIYWZAAY-HZSPNIEDSA-N	1	0	350.488	1.060	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccnn2CCOC)C[C@H]1C	ZINC001106298010	874597077	/nfs/dbraw/zinc/59/70/77/874597077.db2.gz	RDKIGCOQPYKKHH-HZPDHXFCSA-N	1	0	350.463	1.030	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCN(c3ccccc3)C2)C[C@H]1C	ZINC001106305091	874648978	/nfs/dbraw/zinc/64/89/78/874648978.db2.gz	QOPRPQPFNOHCCQ-VAMGGRTRSA-N	1	0	369.509	1.847	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COCCO2)[C@@H](n2ccnn2)C1	ZINC001128715874	882854615	/nfs/dbraw/zinc/85/46/15/882854615.db2.gz	IBBQNUQDNAXULL-IKGGRYGDSA-N	1	0	365.478	1.005	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)S(C)(=O)=O)C[C@H]1C	ZINC001106323885	874780938	/nfs/dbraw/zinc/78/09/38/874780938.db2.gz	BTNKDRVEBCYDRS-YUSALJHKSA-N	1	0	367.309	1.012	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)CCOC)C[C@H]1C	ZINC001106329680	874800006	/nfs/dbraw/zinc/80/00/06/874800006.db2.gz	GYTFAJWMJFSPRW-OWCLPIDISA-N	1	0	360.520	1.086	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC2)[C@H](C)C1	ZINC001106331128	874803950	/nfs/dbraw/zinc/80/39/50/874803950.db2.gz	ONYLPDKRJUWZAR-IAGOWNOFSA-N	1	0	371.481	1.781	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c(F)cc(C)cc2F)C[C@H]1C	ZINC001106403906	875133613	/nfs/dbraw/zinc/13/36/13/875133613.db2.gz	UOJBMXWEQDFEII-ZIAGYGMSSA-N	1	0	365.424	1.873	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)Cn2cncc2C)C[C@H]1C	ZINC001106431620	875282345	/nfs/dbraw/zinc/28/23/45/875282345.db2.gz	HEHVUZHPNUDPIO-BXUZGUMPSA-N	1	0	355.280	1.784	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2nccc3occc32)C[C@H]1C	ZINC001106461086	875448548	/nfs/dbraw/zinc/44/85/48/875448548.db2.gz	JMCFBGYCNJTJHW-RBSFLKMASA-N	1	0	368.437	1.263	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cccc(C3CC3)c2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106465557	875507976	/nfs/dbraw/zinc/50/79/76/875507976.db2.gz	NWUQILRYUFLINP-DNVCBOLYSA-N	1	0	368.481	1.430	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCNC(=O)CC2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106477774	875584803	/nfs/dbraw/zinc/58/48/03/875584803.db2.gz	RHICFNKGNGGMEM-MISYRCLQSA-N	1	0	367.493	1.639	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC2)[C@H](C)C1	ZINC001106482273	875620169	/nfs/dbraw/zinc/62/01/69/875620169.db2.gz	GEIBAVKHECLBRD-MDZRGWNJSA-N	1	0	351.491	1.132	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CC)[C@H](C)C1	ZINC001106486540	875642524	/nfs/dbraw/zinc/64/25/24/875642524.db2.gz	XBKQJDDQYYYDQZ-HLIPFELVSA-N	1	0	367.534	1.768	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]Cc2cnn(CC)n2)[C@H](C)C1	ZINC001106486574	875642677	/nfs/dbraw/zinc/64/26/77/875642677.db2.gz	YFYPMWWBBUHSIQ-GPMSIDNRSA-N	1	0	363.506	1.711	20	30		FDEDRO
Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)c(C(C)C)n1	ZINC001106488637	875656192	/nfs/dbraw/zinc/65/61/92/875656192.db2.gz	RWQNWXRSPBPIQZ-GDBMZVCRSA-N	1	0	371.485	1.451	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnc3cc(C)nn3c2C)C[C@H]1C	ZINC001106500321	875719538	/nfs/dbraw/zinc/71/95/38/875719538.db2.gz	YWMDBBJFOOLXLX-RHSMWYFYSA-N	1	0	369.469	1.294	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc3ncccc3s2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106517062	875807629	/nfs/dbraw/zinc/80/76/29/875807629.db2.gz	UEYJESMLWXYJNF-CHWSQXEVSA-N	1	0	371.466	1.234	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CCC)OC)C[C@H]1C	ZINC001106521275	875839388	/nfs/dbraw/zinc/83/93/88/875839388.db2.gz	MLKBCHRPOJXYBP-KZNAEPCWSA-N	1	0	365.518	1.686	20	30		FDEDRO
CC(C)[C@H](C(=O)N1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@]2(C)C1)[NH+](C)C	ZINC000993195677	875905277	/nfs/dbraw/zinc/90/52/77/875905277.db2.gz	IKBVDYAVIBTRCR-MDYRTPRTSA-N	1	0	371.485	1.393	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@H]1C	ZINC001106563502	875962242	/nfs/dbraw/zinc/96/22/42/875962242.db2.gz	CCYNVPQKBLMQIH-DFBDCSAJSA-N	1	0	360.502	1.479	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)CC(=C)C)C[C@H]1C	ZINC001106563827	875963073	/nfs/dbraw/zinc/96/30/73/875963073.db2.gz	LNVYCNCVYMSOTO-ARFHVFGLSA-N	1	0	364.490	1.285	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CC(F)F)[C@H](C)C1	ZINC001106559281	875966569	/nfs/dbraw/zinc/96/65/69/875966569.db2.gz	MUVCSILJGXEPIT-HUUCEWRRSA-N	1	0	367.444	1.921	20	30		FDEDRO
C[C@@H]1COc2ccc(C(=O)N3C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C3)cc21	ZINC001106566277	875973015	/nfs/dbraw/zinc/97/30/15/875973015.db2.gz	CFPAVJOCCUOEFH-IIAWOOMASA-N	1	0	370.453	1.120	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)[C@H](C)C1	ZINC001106567457	875976350	/nfs/dbraw/zinc/97/63/50/875976350.db2.gz	GQHZJLPGQALFQC-BZUAXINKSA-N	1	0	359.536	1.164	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cncc3sccc32)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106574645	875993662	/nfs/dbraw/zinc/99/36/62/875993662.db2.gz	NTFRKWWWPIXLAM-CHWSQXEVSA-N	1	0	371.466	1.234	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2coc(C(F)F)c2)C[C@H]1C	ZINC001106585594	876046353	/nfs/dbraw/zinc/04/63/53/876046353.db2.gz	LGIKGBDXTJRZBB-DGCLKSJQSA-N	1	0	355.385	1.817	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCN(CC(F)F)C2)C[C@H]1C	ZINC001106590859	876056495	/nfs/dbraw/zinc/05/64/95/876056495.db2.gz	BVBWUOWIOZBJNN-BRWVUGGUSA-N	1	0	371.472	1.297	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nccc3ccccc32)C[C@H]1C	ZINC001106593387	876069519	/nfs/dbraw/zinc/06/95/19/876069519.db2.gz	DYIBZNMDCZPXKL-NVXWUHKLSA-N	1	0	364.449	1.282	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@H]1C	ZINC001106588862	876076206	/nfs/dbraw/zinc/07/62/06/876076206.db2.gz	NJDFGYYXNQARBQ-DGCLKSJQSA-N	1	0	371.279	1.392	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc3ccccc3n2C)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106594071	876078531	/nfs/dbraw/zinc/07/85/31/876078531.db2.gz	OOIGOWJCUUTQDT-GDBMZVCRSA-N	1	0	367.453	1.116	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CC)C[C@H]1C	ZINC001106594440	876079553	/nfs/dbraw/zinc/07/95/53/876079553.db2.gz	SFWYFRZTEYARHD-JFIYKMOQSA-N	1	0	355.482	1.685	20	30		FDEDRO
C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2ccc(F)cc2OCC#N)cn1	ZINC000762584796	876179919	/nfs/dbraw/zinc/17/99/19/876179919.db2.gz	PGLBDTMTFVDXPK-UHFFFAOYSA-N	1	0	374.376	1.063	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(OC)cc2C)C[C@H]1C	ZINC001106615207	876213671	/nfs/dbraw/zinc/21/36/71/876213671.db2.gz	PCTANXXYKPOIBS-BRWVUGGUSA-N	1	0	371.481	1.439	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCc2ccccc2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106618319	876233274	/nfs/dbraw/zinc/23/32/74/876233274.db2.gz	KZEBXEOXIOKJCB-SJLPKXTDSA-N	1	0	356.470	1.333	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](OC)C(C)C)C[C@H]1C	ZINC001106625456	876259076	/nfs/dbraw/zinc/25/90/76/876259076.db2.gz	MEIDCQHEUUTAHB-LMMKCTJWSA-N	1	0	367.534	1.766	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@](C)(C=C)CC)C[C@H]1C	ZINC001106629226	876275825	/nfs/dbraw/zinc/27/58/25/876275825.db2.gz	GKBRNSDNNCJQMV-SPYBWZPUSA-N	1	0	364.490	1.285	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H](C[NH2+]CC(=O)Nc3cnccn3)[C@H](C)C2)CC1	ZINC001106633223	876284147	/nfs/dbraw/zinc/28/41/47/876284147.db2.gz	FBECEQSZOXGPHA-HZPDHXFCSA-N	1	0	371.485	1.846	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CC(C)(F)F)C[C@H]1C	ZINC001106635353	876310479	/nfs/dbraw/zinc/31/04/79/876310479.db2.gz	YFLFXFLGHQGSRE-ZIAGYGMSSA-N	1	0	358.433	1.478	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)Nc3ncccn3)[C@H](C)C2)C1	ZINC001106647915	876383434	/nfs/dbraw/zinc/38/34/34/876383434.db2.gz	YEHHHWZCQUTBME-BZUAXINKSA-N	1	0	371.485	1.844	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N(CC)C3CC3)[C@H](C)C2)c1	ZINC001106650381	876387898	/nfs/dbraw/zinc/38/78/98/876387898.db2.gz	LSQJRFYRKCVCFS-CRAIPNDOSA-N	1	0	368.481	1.372	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]CCO[C@@H]3CC3(F)F)[C@H](C)C2)c1	ZINC001106650641	876389333	/nfs/dbraw/zinc/38/93/33/876389333.db2.gz	XELSABYOAXMQJR-KBRIMQKVSA-N	1	0	363.408	1.785	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCS(=O)(=O)C2)C[C@H]1C(F)(F)F	ZINC001099315214	883023827	/nfs/dbraw/zinc/02/38/27/883023827.db2.gz	JBJUHMOVACQLSO-YNEHKIRRSA-N	1	0	368.421	1.366	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCCC(=O)N2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106655681	876417886	/nfs/dbraw/zinc/41/78/86/876417886.db2.gz	YYQSTSSTIWLUKA-RLLQIKCJSA-N	1	0	367.493	1.781	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106661388	876461665	/nfs/dbraw/zinc/46/16/65/876461665.db2.gz	NKRXKHLQDXDSFY-HGHGUNKESA-N	1	0	353.466	1.248	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C(C)C)cn2)C[C@H]1C	ZINC001106665211	876472145	/nfs/dbraw/zinc/47/21/45/876472145.db2.gz	MCGORVLJYRFSLF-NVXWUHKLSA-N	1	0	358.486	1.805	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ocnc2C(F)F)C[C@H]1C	ZINC001106672080	876511068	/nfs/dbraw/zinc/51/10/68/876511068.db2.gz	DACXNTCFAKKQPI-IJLUTSLNSA-N	1	0	368.384	1.048	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCN2CCCC2=O)[C@H](C)C1	ZINC001106680293	876547434	/nfs/dbraw/zinc/54/74/34/876547434.db2.gz	IYWUWIJDDHPTQN-TVFCKZIOSA-N	1	0	363.502	1.274	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(F)ccc2Cl)C[C@H]1C	ZINC001106694462	876577626	/nfs/dbraw/zinc/57/76/26/876577626.db2.gz	MKQLXEFJPRCAHW-CHWSQXEVSA-N	1	0	365.836	1.526	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2CCC(F)(F)CC2)C[C@H]1C	ZINC001106700588	876609837	/nfs/dbraw/zinc/60/98/37/876609837.db2.gz	QEZRPWJYEYWFJH-IIAWOOMASA-N	1	0	369.456	1.634	20	30		FDEDRO
CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NC1(C#N)CC[NH+](C)CC1	ZINC000917125872	883065773	/nfs/dbraw/zinc/06/57/73/883065773.db2.gz	FTCSFUBFXBBKBG-GOSISDBHSA-N	1	0	354.454	1.627	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCC)C2)C[C@H]1C	ZINC001106713042	876906805	/nfs/dbraw/zinc/90/68/05/876906805.db2.gz	YNUUBZLONHANPE-BRWVUGGUSA-N	1	0	351.491	1.132	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)OC2CCCC2)C[C@H]1C	ZINC001106717936	876942139	/nfs/dbraw/zinc/94/21/39/876942139.db2.gz	SURFJNXWPYPJHL-NUJGCVRESA-N	1	0	363.502	1.158	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)OC2CCCC2)C[C@H]1C	ZINC001106718019	876943554	/nfs/dbraw/zinc/94/35/54/876943554.db2.gz	WTTPZRWEWSPDHB-NUJGCVRESA-N	1	0	365.518	1.711	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(Cl)cs2)C[C@H]1C	ZINC001106730851	877223589	/nfs/dbraw/zinc/22/35/89/877223589.db2.gz	SGWHERZTIIUDCH-JHJVBQTASA-N	1	0	367.902	1.837	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H]2CCC(=O)N(C)[C@@H]2c2ccnn2C)CC1	ZINC000917136759	883109722	/nfs/dbraw/zinc/10/97/22/883109722.db2.gz	HTUKUYVFQRXFHK-YJBOKZPZSA-N	1	0	374.489	1.032	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C(C)C)[nH]c2=O)C[C@H]1C	ZINC001106735251	877310766	/nfs/dbraw/zinc/31/07/66/877310766.db2.gz	OKQKGGCDGTVCLE-HZPDHXFCSA-N	1	0	359.470	1.858	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc([C@H](C)CC)no2)C[C@H]1C	ZINC001106741655	877399958	/nfs/dbraw/zinc/39/99/58/877399958.db2.gz	MDQGKRQLJXZXKR-RBSFLKMASA-N	1	0	362.474	1.788	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2cnn3ccncc23)[C@H](OC)C1	ZINC001212412587	912236557	/nfs/dbraw/zinc/23/65/57/912236557.db2.gz	WOUWPIDXOOFAQH-SJLPKXTDSA-N	1	0	357.458	1.905	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1	ZINC001212414314	912242575	/nfs/dbraw/zinc/24/25/75/912242575.db2.gz	JDFBGDGMTREJRB-RTBURBONSA-N	1	0	356.470	1.358	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CC)[C@H](C)C1	ZINC001106752727	877523293	/nfs/dbraw/zinc/52/32/93/877523293.db2.gz	IEMFVQUNVWNVOC-VXNCWWDNSA-N	1	0	365.518	1.520	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C[C@H]1C	ZINC001106753646	877559176	/nfs/dbraw/zinc/55/91/76/877559176.db2.gz	JIJXVZYLOKCBTK-NCXUSEDFSA-N	1	0	360.502	1.939	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cnc4cc(OC)ccn43)[C@H]2C1	ZINC001083143053	912249953	/nfs/dbraw/zinc/24/99/53/912249953.db2.gz	NPUVXJHFBNUDCJ-DLBZAZTESA-N	1	0	356.426	1.444	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cncc(Cl)c2)C[C@H]1C	ZINC001106760931	877612248	/nfs/dbraw/zinc/61/22/48/877612248.db2.gz	AXMLGVXLPGDHTO-TZMCWYRMSA-N	1	0	350.850	1.335	20	30		FDEDRO
CC(=O)NC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1	ZINC001106769407	877676478	/nfs/dbraw/zinc/67/64/78/877676478.db2.gz	USDQCWYKNXNZMW-VQIMIIECSA-N	1	0	355.482	1.637	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc3c2ccn3C)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106769845	877682901	/nfs/dbraw/zinc/68/29/01/877682901.db2.gz	MKZJHYXNDUUYJL-HUUCEWRRSA-N	1	0	367.453	1.116	20	30		FDEDRO
CN(CC[NH2+]Cc1cc(C#N)ccc1Br)CCOCCO	ZINC000922335388	877697152	/nfs/dbraw/zinc/69/71/52/877697152.db2.gz	RLAJAKCAHPTDOT-UHFFFAOYSA-N	1	0	356.264	1.351	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3cccnc3c2)C[C@H]1C	ZINC001106776739	877743148	/nfs/dbraw/zinc/74/31/48/877743148.db2.gz	FSHKYBAKRSFRBJ-CRAIPNDOSA-N	1	0	366.465	1.835	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)c2ccccc2F)C[C@H]1C	ZINC001106776605	877758187	/nfs/dbraw/zinc/75/81/87/877758187.db2.gz	WUTOBIQHNTZPQK-BZUAXINKSA-N	1	0	361.461	1.916	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)CNC(=O)C2CCOCC2)C[C@H]1C	ZINC001106777201	877771289	/nfs/dbraw/zinc/77/12/89/877771289.db2.gz	WVTQRMVCFSWTEB-NVXWUHKLSA-N	1	0	351.491	1.180	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3ccccc3O2)C[C@H]1C	ZINC001106779322	877790341	/nfs/dbraw/zinc/79/03/41/877790341.db2.gz	JCHSUNKIKIMKEK-SZVBFZGTSA-N	1	0	371.481	1.367	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CC(c3ccc(OC)cc3)=NO2)CC1	ZINC000922369988	877936487	/nfs/dbraw/zinc/93/64/87/877936487.db2.gz	FVTWDSUVVVETAH-SFHVURJKSA-N	1	0	370.453	1.585	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC2CCC(N(C)C(=O)c3ccc(C#N)[nH]3)CC2)CC[N@@H+]1C	ZINC001004070516	877962020	/nfs/dbraw/zinc/96/20/20/877962020.db2.gz	ZKUCDXFHGVLVSM-RKHAHWSXSA-N	1	0	371.485	1.726	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3COc4cc(C)c(C)cc43)[C@H]2C1	ZINC001083152689	912306890	/nfs/dbraw/zinc/30/68/90/912306890.db2.gz	SEWSKZMNBBJNOA-WSTZPKSXSA-N	1	0	354.450	1.714	20	30		FDEDRO
Cc1cc(C[NH2+]Cc2cn(CC(F)(F)F)c(=O)[nH]c2=O)ccc1C#N	ZINC000922494710	878333765	/nfs/dbraw/zinc/33/37/65/878333765.db2.gz	IZAHCEWFGDVNAI-UHFFFAOYSA-N	1	0	352.316	1.981	20	30		FDEDRO
Cc1onc(CC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)c1C#N	ZINC000499912409	878529687	/nfs/dbraw/zinc/52/96/87/878529687.db2.gz	FVKNYHXCOZNWEA-UHFFFAOYSA-N	1	0	369.425	1.005	20	30		FDEDRO
Cc1oc(C(C)C)cc1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106825122	878612242	/nfs/dbraw/zinc/61/22/42/878612242.db2.gz	AWBBNOGHYJNMMO-UKRRQHHQSA-N	1	0	360.458	1.649	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2OC)CC1	ZINC000946585142	878666154	/nfs/dbraw/zinc/66/61/54/878666154.db2.gz	MIFKDNROHKUMOZ-CGTJXYLNSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC(=O)Nc4ccccc43)[C@H]2C1	ZINC001083157524	912387328	/nfs/dbraw/zinc/38/73/28/912387328.db2.gz	BHOKYAWSUIYTOZ-BPQIPLTHSA-N	1	0	355.438	1.600	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CCN(CC(=O)NC2CCCC2)C1	ZINC001033087594	878852661	/nfs/dbraw/zinc/85/26/61/878852661.db2.gz	XDCKYPCKTBWXQV-KURKYZTESA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn4c3nc(C)cc4C)[C@H]2C1	ZINC001083159998	912413843	/nfs/dbraw/zinc/41/38/43/912413843.db2.gz	FBQVHBYFHZNPIR-ZWKOTPCHSA-N	1	0	369.469	1.838	20	30		FDEDRO
C[C@@H](C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O)[NH+]1CCCCCC1	ZINC001083831755	879140295	/nfs/dbraw/zinc/14/02/95/879140295.db2.gz	ZZJNEPRDTUPASV-DBVUQKKJSA-N	1	0	370.497	1.484	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)C3CCCC3)[C@H](C)C2)CC1	ZINC000993676831	879192570	/nfs/dbraw/zinc/19/25/70/879192570.db2.gz	CDJHTNIBSFZOOJ-VQIMIIECSA-N	1	0	359.514	1.733	20	30		FDEDRO
CS(=O)(=O)C[C@H](O)C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1	ZINC000922826534	879388756	/nfs/dbraw/zinc/38/87/56/879388756.db2.gz	BAERBTVJCZMOKH-GOSISDBHSA-N	1	0	374.462	1.632	20	30		FDEDRO
CS(=O)(=O)C[C@@H](O)C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1	ZINC000922822623	879418326	/nfs/dbraw/zinc/41/83/26/879418326.db2.gz	NCCNSFBBZQVECJ-SFHVURJKSA-N	1	0	374.462	1.632	20	30		FDEDRO
C=CCCCCNC(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000671950518	912469138	/nfs/dbraw/zinc/46/91/38/912469138.db2.gz	QKIPDKJHTYNQEA-UHFFFAOYSA-N	1	0	350.507	1.134	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3C[N@H+](C4CC4)C[C@H]3C)CC2)o1	ZINC000332721003	879616765	/nfs/dbraw/zinc/61/67/65/879616765.db2.gz	DWUJJCVGYYPAIP-PXAZEXFGSA-N	1	0	357.458	1.670	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(C(C)C)c2)C[C@H]1C	ZINC001106833687	879747404	/nfs/dbraw/zinc/74/74/04/879747404.db2.gz	PEXRNFRRZCLAPI-VQIMIIECSA-N	1	0	355.482	1.857	20	30		FDEDRO
C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC001004539968	879860221	/nfs/dbraw/zinc/86/02/21/879860221.db2.gz	ABMDJDMAPBFNSM-FGTMMUONSA-N	1	0	363.502	1.511	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC000993881381	879955665	/nfs/dbraw/zinc/95/56/65/879955665.db2.gz	ZYKFQWQFMQQLAA-FRFSOERESA-N	1	0	357.458	1.195	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cncc3ncn(C)c32)[C@H](OC)C1	ZINC001212424331	912548233	/nfs/dbraw/zinc/54/82/33/912548233.db2.gz	FMTSJZXGKSKFHC-KBRIMQKVSA-N	1	0	357.458	1.752	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4cnc(C)n4C3)[C@H]2C1	ZINC001083178068	912557738	/nfs/dbraw/zinc/55/77/38/912557738.db2.gz	ZUMYSYQRBQGFKR-YTQUADARSA-N	1	0	358.486	1.632	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C	ZINC000994000524	880360418	/nfs/dbraw/zinc/36/04/18/880360418.db2.gz	QESSKJUKHZODEU-QRQLOZEOSA-N	1	0	359.514	1.873	20	30		FDEDRO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@H](N2CCOCC2)C1	ZINC000173987313	912593995	/nfs/dbraw/zinc/59/39/95/912593995.db2.gz	DHOJVEDZYCMKPU-KGLIPLIRSA-N	1	0	374.510	1.842	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)[C@@H](F)CC)C[C@H]2C)CC1	ZINC000994133209	880731396	/nfs/dbraw/zinc/73/13/96/880731396.db2.gz	AMQSJGZZIQCAMV-OIISXLGYSA-N	1	0	351.466	1.290	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)c1ccccc1C[NH+](C)C	ZINC000994140777	880910866	/nfs/dbraw/zinc/91/08/66/880910866.db2.gz	QQHVWIVFFATBGT-VQIMIIECSA-N	1	0	367.493	1.986	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)[C@H]3CC34CC4)C[C@H]2C)CC1	ZINC000994141439	880913546	/nfs/dbraw/zinc/91/35/46/880913546.db2.gz	VNZZDEQSPOCTRY-KBAYOESNSA-N	1	0	357.498	1.342	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)cc1	ZINC000994218292	881058965	/nfs/dbraw/zinc/05/89/65/881058965.db2.gz	XMAQLKMGSPMXCY-OXQOHEQNSA-N	1	0	367.493	1.834	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCC(=O)NCCCOC)C[C@H]1C	ZINC001106859208	881141384	/nfs/dbraw/zinc/14/13/84/881141384.db2.gz	YZCPSAUNXNVKGZ-KZNAEPCWSA-N	1	0	367.534	1.958	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@H+]2CC[C@@H](C)C2)nc1	ZINC001004747364	881200983	/nfs/dbraw/zinc/20/09/83/881200983.db2.gz	JOJINKMMHOTBOK-OPNNQBFTSA-N	1	0	366.465	1.266	20	30		FDEDRO
Cc1ccc2ncc(C#N)c(NCCCC[NH+]3CCN(CCO)CC3)c2c1	ZINC000488062850	881226313	/nfs/dbraw/zinc/22/63/13/881226313.db2.gz	HWGSSMUSOMCQMI-UHFFFAOYSA-N	1	0	367.497	1.639	20	30		FDEDRO
COC(=O)[C@H]1CC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1	ZINC000917158828	883148794	/nfs/dbraw/zinc/14/87/94/883148794.db2.gz	XIGQCIANXSWWIR-JSGCOSHPSA-N	1	0	350.378	1.719	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)NCc1ccc(F)cc1)C2	ZINC001112542888	883186404	/nfs/dbraw/zinc/18/64/04/883186404.db2.gz	XMPHNTHPVLQSHG-JXFKEZNVSA-N	1	0	357.429	1.293	20	30		FDEDRO
C=C(Cl)C[C@@H]1NC(=O)N(C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1=O	ZINC000925345098	912679073	/nfs/dbraw/zinc/67/90/73/912679073.db2.gz	WJXPZZVSDSOZFM-KKUMJFAQSA-N	1	0	355.866	1.817	20	30		FDEDRO
C[C@H]1CN(C(=O)CNc2ccc(C#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000497469071	883236888	/nfs/dbraw/zinc/23/68/88/883236888.db2.gz	YQDTUGXKWWCYEB-LPHOPBHVSA-N	1	0	355.486	1.455	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cc(C)cn2)[C@@H](n2ccnn2)C1	ZINC001128775610	883390289	/nfs/dbraw/zinc/39/02/89/883390289.db2.gz	WOGOOBZVODMJFK-BBWFWOEESA-N	1	0	357.462	1.179	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccnc(F)c2)[C@@H](n2ccnn2)C1	ZINC001128780300	883422805	/nfs/dbraw/zinc/42/28/05/883422805.db2.gz	HCNSHBRHNKLKGZ-BMFZPTHFSA-N	1	0	358.421	1.822	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccnc(F)c2)[C@@H](n2ccnn2)C1	ZINC001128780301	883423732	/nfs/dbraw/zinc/42/37/32/883423732.db2.gz	HCNSHBRHNKLKGZ-IMJJTQAJSA-N	1	0	358.421	1.822	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1	ZINC000917536644	883508121	/nfs/dbraw/zinc/50/81/21/883508121.db2.gz	PDYKUPDLYWGEOF-UHFFFAOYSA-N	1	0	369.462	1.352	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N2CCC(CO)([NH2+]C(C)C)CC2)c1C#N	ZINC000917535163	883526926	/nfs/dbraw/zinc/52/69/26/883526926.db2.gz	ABWNHYLQHOUFNF-UHFFFAOYSA-N	1	0	351.472	1.380	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@H+](CC2CCCCCC2)C[C@@H]1n1ccnn1	ZINC001128824919	883745285	/nfs/dbraw/zinc/74/52/85/883745285.db2.gz	KELYLTXUNLYMGI-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
Cc1cccc(CCC[N@H+]2C[C@@H](NC(=O)[C@@H](C)C#N)[C@@H](n3ccnn3)C2)c1	ZINC001128829554	883752606	/nfs/dbraw/zinc/75/26/06/883752606.db2.gz	GBLJGLCQKNRYQH-UHOSZYNNSA-N	1	0	366.469	1.721	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nnc(C(C)(C)C)[nH]2)C1	ZINC000999429186	912754186	/nfs/dbraw/zinc/75/41/86/912754186.db2.gz	XOAYTZWZOJVBGR-CVSAEHQPSA-N	1	0	361.490	1.772	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cn(CC3CC3)nn2)C1	ZINC000999426727	912749776	/nfs/dbraw/zinc/74/97/76/912749776.db2.gz	BXQKVNCMEMPTRE-SYNTWQANSA-N	1	0	359.474	1.358	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC(NCc2nc(CC3CC3)no2)C1	ZINC000999430379	912758119	/nfs/dbraw/zinc/75/81/19/912758119.db2.gz	JRWMDAOPZUVSQL-FJBKBRRZSA-N	1	0	360.458	1.692	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](CC)OC)C[C@@H]1n1ccnn1	ZINC001128869140	883874555	/nfs/dbraw/zinc/87/45/55/883874555.db2.gz	FREFRDAHRFOJOK-ZACQAIPSSA-N	1	0	365.478	1.027	20	30		FDEDRO
C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1	ZINC001034249584	883975423	/nfs/dbraw/zinc/97/54/23/883975423.db2.gz	LMDDQWGJWNVDCV-OTWHNJEPSA-N	1	0	358.486	1.882	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2cccc(C#N)c2)C1	ZINC001034257361	884010139	/nfs/dbraw/zinc/01/01/39/884010139.db2.gz	WUNZWQUNWSPGHY-IPELMVKDSA-N	1	0	357.454	1.833	20	30		FDEDRO
CO[C@@H]1CN(Cc2cccc(C(=O)N(C)C)c2)C[C@H]1NC(=O)C#CC(C)C	ZINC001212231062	884040089	/nfs/dbraw/zinc/04/00/89/884040089.db2.gz	JWUGFAXBICEQCE-RTBURBONSA-N	1	0	371.481	1.363	20	30		FDEDRO
COC(=O)c1ccc(NC(=O)CO[NH+]=C(N)c2ccc(N(C)C)cc2)cc1	ZINC000918185758	884204070	/nfs/dbraw/zinc/20/40/70/884204070.db2.gz	ZJXXCLZMDDBWND-UHFFFAOYSA-N	1	0	370.409	1.815	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CCn2cncn2)C1	ZINC001034436279	884366684	/nfs/dbraw/zinc/36/66/84/884366684.db2.gz	MIYXOJXJSWYEKF-BZSNNMDCSA-N	1	0	361.490	1.620	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)Cc2ccnn2C)[C@@H](n2ccnn2)C1	ZINC001128949937	884373666	/nfs/dbraw/zinc/37/36/66/884373666.db2.gz	WPZVONYKAGTNAJ-MSOLQXFVSA-N	1	0	371.489	1.342	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@H](CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)n1	ZINC001061757667	884474522	/nfs/dbraw/zinc/47/45/22/884474522.db2.gz	MZFZFQBNIKVWHY-HYVNUMGLSA-N	1	0	370.501	1.583	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CC[NH2+][C@H]2CCN(CC)C2=O)CC1	ZINC001034574054	884526990	/nfs/dbraw/zinc/52/69/90/884526990.db2.gz	UPJXXWYBIDKVFE-SQNIBIBYSA-N	1	0	363.502	1.417	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)CC1	ZINC000246101301	884799218	/nfs/dbraw/zinc/79/92/18/884799218.db2.gz	BUTMQNBLCNGSPW-PMACEKPBSA-N	1	0	367.497	1.375	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@@H]1n1ccnn1	ZINC001128988934	884801619	/nfs/dbraw/zinc/80/16/19/884801619.db2.gz	IRGZSXDQVHSSED-UHOSZYNNSA-N	1	0	371.485	1.548	20	30		FDEDRO
Cc1ccc(C(C)(C)C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)cc1	ZINC001106891640	884805924	/nfs/dbraw/zinc/80/59/24/884805924.db2.gz	KGLZNINBQNEHBA-IAGOWNOFSA-N	1	0	370.497	1.597	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCc1ccc(C[NH2+][C@@H]2CCN(C)C2=O)cc1	ZINC001034818988	885172969	/nfs/dbraw/zinc/17/29/69/885172969.db2.gz	UJEALJCWVIMEDJ-QRVBRYPASA-N	1	0	371.481	1.604	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CC2CC3(CCC3)C2)C[C@@H]1O	ZINC001083967698	912908959	/nfs/dbraw/zinc/90/89/59/912908959.db2.gz	VESKABKWZIUOBQ-MSOLQXFVSA-N	1	0	369.465	1.449	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCc3ccccc3CC)C[C@@H]2O)nc1	ZINC001083968983	912915878	/nfs/dbraw/zinc/91/58/78/912915878.db2.gz	OFFGPQOWQMJEBW-RTWAWAEBSA-N	1	0	363.461	1.643	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CCc2cnn(CC)c2)C[C@@H]1n1ccnn1	ZINC001129025306	885282568	/nfs/dbraw/zinc/28/25/68/885282568.db2.gz	KIZMVWLDZKLQDW-MSOLQXFVSA-N	1	0	371.489	1.435	20	30		FDEDRO
CC(C)C#CC(=O)N[C@H]1CC[C@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1	ZINC001060729188	885394062	/nfs/dbraw/zinc/39/40/62/885394062.db2.gz	NCMRDRFEZJXTJW-BRSBDYLESA-N	1	0	363.502	1.156	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@@H]2n2ccnn2)CCC1	ZINC001129048959	885535784	/nfs/dbraw/zinc/53/57/84/885535784.db2.gz	MDFYKMZWYXSEPV-KURKYZTESA-N	1	0	371.485	1.240	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)CC2CC(F)(F)C2)[C@@H](n2ccnn2)C1	ZINC001129081261	885691757	/nfs/dbraw/zinc/69/17/57/885691757.db2.gz	WTPSZWYLCBHOES-CABCVRRESA-N	1	0	369.416	1.258	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2CC)[C@@H](n2ccnn2)C1	ZINC001129084183	885707417	/nfs/dbraw/zinc/70/74/17/885707417.db2.gz	DQJNVWXBVXSHNN-XKQJLSEDSA-N	1	0	357.462	1.574	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3cncn3C2)[C@@H](n2ccnn2)C1	ZINC001129084343	885709919	/nfs/dbraw/zinc/70/99/19/885709919.db2.gz	IAXOFCLJLGLFFB-NXHRZFHOSA-N	1	0	369.473	1.045	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2C(C)C)[C@@H](n2ccnn2)C1	ZINC001129084788	885712470	/nfs/dbraw/zinc/71/24/70/885712470.db2.gz	YKTJVSRHTBGQIY-CVEARBPZSA-N	1	0	357.462	1.746	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2CC)[C@@H](n2ccnn2)C1	ZINC001129090474	885721285	/nfs/dbraw/zinc/72/12/85/885721285.db2.gz	ZMBHDVICADHOMV-WBVHZDCISA-N	1	0	357.462	1.196	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cnn(C(C)(C)C)c2)[C@@H](n2ccnn2)C1	ZINC001129093855	885723667	/nfs/dbraw/zinc/72/36/67/885723667.db2.gz	RVTLXFWLNUMYLS-SJORKVTESA-N	1	0	371.489	1.851	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)Cc2ccn(C(C)C)n2)[C@@H](n2ccnn2)C1	ZINC001129113822	885758385	/nfs/dbraw/zinc/75/83/85/885758385.db2.gz	UQKDARDLGTVYID-MSOLQXFVSA-N	1	0	371.489	1.606	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCNC(=O)NC(C)C)[C@H](C)C2)nc1	ZINC001106894836	885784577	/nfs/dbraw/zinc/78/45/77/885784577.db2.gz	WPWPXIBJDDEVTM-NVXWUHKLSA-N	1	0	371.485	1.068	20	30		FDEDRO
Cn1c2ccccc2n(CCC(=O)N(CCC#N)CCC[NH+](C)C)c1=O	ZINC000194926914	885802711	/nfs/dbraw/zinc/80/27/11/885802711.db2.gz	FMKBKYVICZUPIE-UHFFFAOYSA-N	1	0	357.458	1.424	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2occ3c2CCC3)[C@@H](n2ccnn2)C1	ZINC001129127966	885822507	/nfs/dbraw/zinc/82/25/07/885822507.db2.gz	PDNGCSASASAOAP-SJORKVTESA-N	1	0	355.442	1.981	20	30		FDEDRO
C[C@@H]1C[N@@H+](CC2CCN(S(=O)(=O)CC(C)(C)C#N)CC2)C[C@H](C)O1	ZINC000919721503	886100136	/nfs/dbraw/zinc/10/01/36/886100136.db2.gz	WRHFCTHKQURMRV-GASCZTMLSA-N	1	0	357.520	1.687	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)NCCC)[C@H](C)C2)cn1	ZINC001106896585	886105451	/nfs/dbraw/zinc/10/54/51/886105451.db2.gz	MZGVWDDIKUUNOO-BFYDXBDKSA-N	1	0	356.470	1.275	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[N@H+](CC2CCOCC2)CCO1	ZINC001035539961	886125266	/nfs/dbraw/zinc/12/52/66/886125266.db2.gz	RZMKJBNSBMNJHN-FHWLQOOXSA-N	1	0	366.502	1.601	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cnc3n2CCCC3)[C@@H](n2ccnn2)C1	ZINC001129194417	886174726	/nfs/dbraw/zinc/17/47/26/886174726.db2.gz	DIHWEVXRMTWQJR-WBVHZDCISA-N	1	0	369.473	1.432	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)Cc2ncccc2OC)[C@@H](n2ccnn2)C1	ZINC001129194754	886195764	/nfs/dbraw/zinc/19/57/64/886195764.db2.gz	LKWLRQXDSWMEEK-SJORKVTESA-N	1	0	370.457	1.232	20	30		FDEDRO
CN1Cc2ccc(NC(=O)C(=O)NCCNc3ccc(C#N)cn3)cc2C1	ZINC000919793649	886200193	/nfs/dbraw/zinc/20/01/93/886200193.db2.gz	DNAABMBKJNIBFJ-UHFFFAOYSA-N	1	0	364.409	1.065	20	30		FDEDRO
C#CCSCCNC(=O)N[C@@H]1C[C@@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O	ZINC000919875133	886330591	/nfs/dbraw/zinc/33/05/91/886330591.db2.gz	PFSKXPMEVXRTKX-CBZIJGRNSA-N	1	0	353.532	1.522	20	30		FDEDRO
C#CCSCCNC(=O)N[C@@H]1C[C@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O	ZINC000919875135	886331172	/nfs/dbraw/zinc/33/11/72/886331172.db2.gz	PFSKXPMEVXRTKX-XLMAVXFVSA-N	1	0	353.532	1.522	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2Cc3ccccc32)[C@@H](n2ccnn2)C1	ZINC001129204348	886368508	/nfs/dbraw/zinc/36/85/08/886368508.db2.gz	DESIJFKNTBNEIW-OTWHNJEPSA-N	1	0	351.454	1.926	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1	ZINC000499185852	886536746	/nfs/dbraw/zinc/53/67/46/886536746.db2.gz	JRYHJSMYJGLHKD-HNNXBMFYSA-N	1	0	374.441	1.075	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(C#N)s1)C2	ZINC000920275785	886804705	/nfs/dbraw/zinc/80/47/05/886804705.db2.gz	UNDJOIOBKAGPGL-LUYZLQTOSA-N	1	0	369.512	1.378	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Oc2cccnc2)[C@@H](n2ccnn2)C1	ZINC001129253205	886873466	/nfs/dbraw/zinc/87/34/66/886873466.db2.gz	RGZIQCFADFHZHG-NXHRZFHOSA-N	1	0	370.457	1.448	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CCCOC(C)C)C[C@@H]2n2ccnn2)C1	ZINC001129258369	886938703	/nfs/dbraw/zinc/93/87/03/886938703.db2.gz	XNMDHGHYNYIIPZ-SJORKVTESA-N	1	0	361.490	1.791	20	30		FDEDRO
Cc1nc(N(C)C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)ccc1C#N	ZINC001062185922	886968695	/nfs/dbraw/zinc/96/86/95/886968695.db2.gz	ANHDBNXQOIVADE-SOLBZPMBSA-N	1	0	355.486	1.887	20	30		FDEDRO
N#Cc1cc(CN2C[C@@H](NC(=O)[C@@]34C[C@@H]3CCCC4)[C@@H](O)C2)ccc1F	ZINC001083760870	887036679	/nfs/dbraw/zinc/03/66/79/887036679.db2.gz	NONPVLOQIXHYKO-NFBUACBFSA-N	1	0	357.429	1.939	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2nccc3[nH]ccc32)[C@@H](n2ccnn2)C1	ZINC001129267205	887057647	/nfs/dbraw/zinc/05/76/47/887057647.db2.gz	YRMIXBBTNKRQGV-SJORKVTESA-N	1	0	365.441	1.776	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)CC1	ZINC000920616407	887096399	/nfs/dbraw/zinc/09/63/99/887096399.db2.gz	SJACGJSSOCKSRK-MAUKXSAKSA-N	1	0	354.454	1.577	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H](n2ccnn2)C1	ZINC001129271960	887104954	/nfs/dbraw/zinc/10/49/54/887104954.db2.gz	SGJQSMATWUHFOO-QQXKLLMISA-N	1	0	373.501	1.934	20	30		FDEDRO
Cc1cc(S(=O)(=O)NCc2nc(CN(C)C)cs2)ccc1C#N	ZINC000921092602	887439154	/nfs/dbraw/zinc/43/91/54/887439154.db2.gz	HFIIYCUNOAEXQP-UHFFFAOYSA-N	1	0	350.469	1.863	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCC[C@@H]([S@@](=O)CC)C1)C1CC[NH+](C)CC1	ZINC000921349671	887766072	/nfs/dbraw/zinc/76/60/72/887766072.db2.gz	BSPGRJSXFVHPMA-NZEOALSQSA-N	1	0	353.532	1.805	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC([C@H](C)NC(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC001005866703	887795393	/nfs/dbraw/zinc/79/53/93/887795393.db2.gz	OOVPKOFGBLAUOI-YLQAJVPDSA-N	1	0	357.458	1.193	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC1	ZINC001060748096	887840058	/nfs/dbraw/zinc/84/00/58/887840058.db2.gz	VFKZDHYMXIFKCG-TVFCKZIOSA-N	1	0	365.518	1.709	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)NCC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCC1	ZINC001062666262	887938448	/nfs/dbraw/zinc/93/84/48/887938448.db2.gz	CFXPEWJRDAKGPZ-YESZJQIVSA-N	1	0	365.518	1.853	20	30		FDEDRO
COCC1(CC(=O)N[C@@H]2CN(Cc3ccccc3C#N)C[C@H]2OC)CC1	ZINC001212260699	888103354	/nfs/dbraw/zinc/10/33/54/888103354.db2.gz	GBMOWYYDHRKSKI-QZTJIDSGSA-N	1	0	357.454	1.690	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1occc1C)C2	ZINC001005960664	888237463	/nfs/dbraw/zinc/23/74/63/888237463.db2.gz	ZCVPTMNIAMRZBI-BDXSIMOUSA-N	1	0	369.465	1.476	20	30		FDEDRO
C#CCN(C(=O)NCc1ccc(CNC(C)=O)cc1)C1CC[NH+](C)CC1	ZINC000923182263	888277831	/nfs/dbraw/zinc/27/78/31/888277831.db2.gz	FTLFXLJEIARSRT-UHFFFAOYSA-N	1	0	356.470	1.562	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CCC[N@H+]2C)c1	ZINC001005972556	888299612	/nfs/dbraw/zinc/29/96/12/888299612.db2.gz	VPHDJJIZMDYNOS-BDXSIMOUSA-N	1	0	352.438	1.019	20	30		FDEDRO
Cc1cc(NC(=O)NCC[N@@H+]2CCCOCC2)nn1-c1cccc(C#N)c1	ZINC000372904243	888363630	/nfs/dbraw/zinc/36/36/30/888363630.db2.gz	MSAQFEGAQHBPMI-UHFFFAOYSA-N	1	0	368.441	1.896	20	30		FDEDRO
CC1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(C#N)c2)CC1	ZINC000999712127	913237475	/nfs/dbraw/zinc/23/74/75/913237475.db2.gz	RCCFLVDTOPVGSU-SQNIBIBYSA-N	1	0	369.469	1.480	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccncc2Cl)[C@@H](n2ccnn2)C1	ZINC001129281585	888470088	/nfs/dbraw/zinc/47/00/88/888470088.db2.gz	ZFKMTPRBUDMGCL-CVEARBPZSA-N	1	0	360.849	1.948	20	30		FDEDRO
CC[N@@H+]1CCCN(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1	ZINC000462090628	888527694	/nfs/dbraw/zinc/52/76/94/888527694.db2.gz	WEYRDKHFVJWMQH-UHFFFAOYSA-N	1	0	353.430	2.007	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](CCOCC=C)C[C@H]1OC	ZINC001212268078	888570058	/nfs/dbraw/zinc/57/00/58/888570058.db2.gz	PFIARWSBGJVMQE-QZTJIDSGSA-N	1	0	354.491	1.767	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)OC)C[C@H]2OC)cc1	ZINC001212268181	888571241	/nfs/dbraw/zinc/57/12/41/888571241.db2.gz	SXFBTDCWTJLOHK-KFKAGJAMSA-N	1	0	360.454	1.553	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)CN2CCO[C@@H]([C@H](C)[NH3+])C2)c(OC)c1	ZINC000923297397	888797099	/nfs/dbraw/zinc/79/70/99/888797099.db2.gz	OSATUSBPZAGTOH-ZSZQSSIHSA-N	1	0	350.459	1.211	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCC[C@@H]1Cc1cnn(C)c1)C1CC[NH+](C)CC1	ZINC000923301896	888822828	/nfs/dbraw/zinc/82/28/28/888822828.db2.gz	KXNWIURGTVOVEJ-IEBWSBKVSA-N	1	0	357.502	1.870	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C3CC3)C[C@@H]2O)c1	ZINC001083765169	888894048	/nfs/dbraw/zinc/89/40/48/888894048.db2.gz	QRDJRLBBYFXSAM-RTWAWAEBSA-N	1	0	361.445	1.915	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CN(Cc3cc(F)ccc3C)C[C@@H]2O)c1	ZINC001083764933	888905589	/nfs/dbraw/zinc/90/55/89/888905589.db2.gz	FHUHFSULTGNUCJ-MOPGFXCFSA-N	1	0	353.397	1.486	20	30		FDEDRO
C#Cc1cncc(C(=O)N(C)[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC000938608104	888919203	/nfs/dbraw/zinc/91/92/03/888919203.db2.gz	XRVHIFMPIVBEPF-FHLIZLRMSA-N	1	0	354.454	1.076	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1	ZINC000938602124	888924120	/nfs/dbraw/zinc/92/41/20/888924120.db2.gz	JGUZQXRNIPPPMI-KURKYZTESA-N	1	0	363.502	1.369	20	30		FDEDRO
COc1ccccc1[C@@H]1C[NH2+]CCN1C[C@@H](O)COc1ccc(C#N)cc1	ZINC000923349735	888954166	/nfs/dbraw/zinc/95/41/66/888954166.db2.gz	WCZRNDWKMBEOAR-XLIONFOSSA-N	1	0	367.449	1.953	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](N(C)C(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000938669318	889071579	/nfs/dbraw/zinc/07/15/79/889071579.db2.gz	IXHCFJQMQXCIEX-GBESFXJTSA-N	1	0	357.498	1.437	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCc3ccc(OC)cc3)C[C@@H]2O)c1	ZINC001083765530	889090497	/nfs/dbraw/zinc/09/04/97/889090497.db2.gz	IOIVDDABERGXFN-UXHICEINSA-N	1	0	365.433	1.089	20	30		FDEDRO
Cc1nc(NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)ccc1C#N	ZINC000413567995	889291546	/nfs/dbraw/zinc/29/15/46/889291546.db2.gz	CFBCFAZFKBJAQE-UHFFFAOYSA-N	1	0	363.465	2.571	20	30		FDEDRO
N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@H+]2CCC[C@@H](CO)C2)CC1	ZINC000245919435	889331006	/nfs/dbraw/zinc/33/10/06/889331006.db2.gz	XKDJMAOGFXLASU-APWZRJJASA-N	1	0	374.460	1.239	20	30		FDEDRO
C[NH+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2Nc2ccc(C#N)nc2)CC1	ZINC001090284330	889469524	/nfs/dbraw/zinc/46/95/24/889469524.db2.gz	UOFWPYHCNFOJLJ-QUCCMNQESA-N	1	0	371.485	1.713	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Oc2ccc(NC(=O)c3cnn(C)c3)cc2)CC1	ZINC000068816327	889531456	/nfs/dbraw/zinc/53/14/56/889531456.db2.gz	FLYATMKWPGIMQR-UHFFFAOYSA-N	1	0	366.421	1.923	20	30		FDEDRO
CN(C(=O)Nc1ccn(CCC#N)n1)C1CC[NH+](Cc2ccncc2)CC1	ZINC000377923844	889569917	/nfs/dbraw/zinc/56/99/17/889569917.db2.gz	YHYVHRHUMMECBR-UHFFFAOYSA-N	1	0	367.457	2.320	20	30		FDEDRO
COC(=O)[C@@H](c1cccc(C#N)c1)N1C[C@H]2COCC[C@@]2(C(=O)OC)C1	ZINC000373798689	889598724	/nfs/dbraw/zinc/59/87/24/889598724.db2.gz	SPMLAWCPTLYREM-FRQCXROJSA-N	1	0	358.394	1.284	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC[NH+]([C@@H]2CCCN(C)C2=O)CC1	ZINC001006127772	889604746	/nfs/dbraw/zinc/60/47/46/889604746.db2.gz	NRASDHDMBRBDLY-KSZLIROESA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]Cc1cnc(C(F)(F)F)nc1	ZINC001127608757	889725826	/nfs/dbraw/zinc/72/58/26/889725826.db2.gz	FUAYCFNIEYAANA-OLZOCXBDSA-N	1	0	358.364	1.682	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1cc(C)ccc1C	ZINC001127612714	889902089	/nfs/dbraw/zinc/90/20/89/889902089.db2.gz	AWDDHEGHTQNNSC-AEFFLSMTSA-N	1	0	359.470	1.929	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)c1cc(F)ccc1F	ZINC001127613187	889942979	/nfs/dbraw/zinc/94/29/79/889942979.db2.gz	UAOASUUEWDHJBI-XYPHTWIQSA-N	1	0	354.397	1.685	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)CCc2nc(-c3ccc(OC)cc3)no2)C1	ZINC000923588626	889990703	/nfs/dbraw/zinc/99/07/03/889990703.db2.gz	GVSAWTGHPBDJDE-INIZCTEOSA-N	1	0	368.437	1.892	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH]cn2)[C@@H](n2ccnn2)C1	ZINC001129284827	890039531	/nfs/dbraw/zinc/03/95/31/890039531.db2.gz	ZKBXAQHYWUKGKK-SJORKVTESA-N	1	0	357.462	1.332	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNC(=O)CC2CC[NH+](C)CC2)CCC1	ZINC001063029276	890124391	/nfs/dbraw/zinc/12/43/91/890124391.db2.gz	AUVKXCNPXYJGFW-SJORKVTESA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccnc(N(C)C)c2)[C@@H](n2ccnn2)C1	ZINC001129293666	890146973	/nfs/dbraw/zinc/14/69/73/890146973.db2.gz	KVLUCEIGDFOSRG-SJORKVTESA-N	1	0	369.473	1.361	20	30		FDEDRO
C[C@@H](C#N)CNC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000248452029	890147151	/nfs/dbraw/zinc/14/71/51/890147151.db2.gz	PQZIIDIQZOGQLZ-WMLDXEAASA-N	1	0	357.458	1.343	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(c3nc(C)cc(C#N)n3)C2)CC[N@@H+]1C	ZINC001063055509	890156270	/nfs/dbraw/zinc/15/62/70/890156270.db2.gz	CKXWLGYANBPMTJ-YESZJQIVSA-N	1	0	356.474	1.424	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1	ZINC001063188591	890273934	/nfs/dbraw/zinc/27/39/34/890273934.db2.gz	FASWLORJSBRIAD-IKGGRYGDSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNC(=O)[C@H]2CCCC[N@H+]2CC)CCC1	ZINC001063347553	890471701	/nfs/dbraw/zinc/47/17/01/890471701.db2.gz	IMRQVQHJRIMIQB-ZACQAIPSSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)CC[NH+](C)C)CC1	ZINC001079068499	890491805	/nfs/dbraw/zinc/49/18/05/890491805.db2.gz	LVJAVZWGAILBKM-BBWFWOEESA-N	1	0	351.491	1.369	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H](O)C1	ZINC001084110383	913462551	/nfs/dbraw/zinc/46/25/51/913462551.db2.gz	SVOCMSYNUDVWAP-CABCVRRESA-N	1	0	355.866	1.649	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCc2ccco2)C[C@H]1OC	ZINC001212344630	891007841	/nfs/dbraw/zinc/00/78/41/891007841.db2.gz	FQYAIZLOZZLEOP-CGTJXYLNSA-N	1	0	366.458	1.329	20	30		FDEDRO
N#CCOc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2ccncc2)cc1	ZINC001127648637	891315898	/nfs/dbraw/zinc/31/58/98/891315898.db2.gz	UQIMHTVLFVJZHZ-RBUKOAKNSA-N	1	0	350.422	1.993	20	30		FDEDRO
C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(C#N)c[nH]2)C3)CC1	ZINC001001880636	891551876	/nfs/dbraw/zinc/55/18/76/891551876.db2.gz	AGPFKOLPDMCQPC-INMHGKMJSA-N	1	0	355.442	1.090	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C)c1	ZINC000940010486	891623955	/nfs/dbraw/zinc/62/39/55/891623955.db2.gz	CXKQIXFHMBHYAX-DNVCBOLYSA-N	1	0	368.481	1.372	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(C#N)c1)C2	ZINC001002129466	891962383	/nfs/dbraw/zinc/96/23/83/891962383.db2.gz	BXZWPILPKWREGZ-NCOADZHNSA-N	1	0	355.442	1.232	20	30		FDEDRO
CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(C#N)c1)C2)[NH+](C)C	ZINC001002136153	891974630	/nfs/dbraw/zinc/97/46/30/891974630.db2.gz	STTHISVAVDJPDV-WCXIOVBPSA-N	1	0	357.458	1.334	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(C#N)c1)C2	ZINC001002142734	891981273	/nfs/dbraw/zinc/98/12/73/891981273.db2.gz	JSCAVAOGSBOGML-ZJPYXAASSA-N	1	0	369.469	1.621	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)cc1	ZINC000940288308	892162052	/nfs/dbraw/zinc/16/20/52/892162052.db2.gz	RVIARYXBVDHFRA-GPMSIDNRSA-N	1	0	353.466	1.729	20	30		FDEDRO
CC1([NH2+]Cc2ccc(C#N)c(F)c2)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1	ZINC000940333443	892281860	/nfs/dbraw/zinc/28/18/60/892281860.db2.gz	RKGBTIYTKDJQCT-CABCVRRESA-N	1	0	358.417	1.289	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nnc(C(C)C)[nH]2)CC1	ZINC000940340265	892292360	/nfs/dbraw/zinc/29/23/60/892292360.db2.gz	VBQAPHHXEFTCGC-CABCVRRESA-N	1	0	361.490	1.990	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@@H](C)CC)[C@H](C)C1	ZINC001106922873	892597064	/nfs/dbraw/zinc/59/70/64/892597064.db2.gz	QVPHHGCOJVWLRR-FUHIMQAGSA-N	1	0	369.509	1.809	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)ccc1Cl	ZINC000921912944	892788237	/nfs/dbraw/zinc/78/82/37/892788237.db2.gz	SRRZYKRCAOVNJG-AWEZNQCLSA-N	1	0	369.874	1.743	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC001002405614	892847315	/nfs/dbraw/zinc/84/73/15/892847315.db2.gz	OTZPQGAPXHXAIC-KBRIMQKVSA-N	1	0	357.458	1.290	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3C3CCC3)C2)CC1	ZINC001002473259	893002780	/nfs/dbraw/zinc/00/27/80/893002780.db2.gz	KJWMESVYIAXONU-RBUKOAKNSA-N	1	0	357.498	1.342	20	30		FDEDRO
COC(=O)[C@@H]1CN(CC(=O)NC2(C#N)CCC2)C[C@H]1c1ccc(O)cc1	ZINC000451094585	893014260	/nfs/dbraw/zinc/01/42/60/893014260.db2.gz	IJNJPUUQUPOJFE-JKSUJKDBSA-N	1	0	357.410	1.143	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccsc2C(F)F)C[C@H]1C	ZINC001106931869	893073903	/nfs/dbraw/zinc/07/39/03/893073903.db2.gz	GLVPVXBITGQUTH-VXGBXAGGSA-N	1	0	369.437	1.733	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1COCCN1CC)C2	ZINC001112441043	893093887	/nfs/dbraw/zinc/09/38/87/893093887.db2.gz	NYDXWGQAHSERBC-BQFCYCMXSA-N	1	0	355.910	1.678	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(F)cc2)C[C@H]1C	ZINC001106940331	893124043	/nfs/dbraw/zinc/12/40/43/893124043.db2.gz	LICALUAVXLDILU-HLLBOEOZSA-N	1	0	359.445	1.190	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCc3ccc(O)cc3C2)CC1	ZINC000672356244	893172153	/nfs/dbraw/zinc/17/21/53/893172153.db2.gz	GHMFDWUUDMTONJ-UHFFFAOYSA-N	1	0	357.454	1.434	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](Cc3ccncc3)C2)CC1	ZINC000672356841	893183916	/nfs/dbraw/zinc/18/39/16/893183916.db2.gz	NMLHZQVMQUPZEL-SFHVURJKSA-N	1	0	370.497	1.629	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1	ZINC000940880267	893386411	/nfs/dbraw/zinc/38/64/11/893386411.db2.gz	JVFHDLASOGLRCN-BPQIPLTHSA-N	1	0	366.465	1.353	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cnc4n3CCOC4)C2=O)cc1	ZINC000921979449	893719957	/nfs/dbraw/zinc/71/99/57/893719957.db2.gz	FEHWVVFRGWDAST-KRWDZBQOSA-N	1	0	351.410	1.570	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C(C)(C)C1	ZINC000941090274	893841196	/nfs/dbraw/zinc/84/11/96/893841196.db2.gz	BQFIVEQKDMBQQL-YQVWRLOYSA-N	1	0	368.481	1.451	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2cccc(F)c2)C[C@H]1C	ZINC001106952805	894359979	/nfs/dbraw/zinc/35/99/79/894359979.db2.gz	ANKHDGTUSZPUNU-HLLBOEOZSA-N	1	0	361.461	1.743	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000922022900	894403673	/nfs/dbraw/zinc/40/36/73/894403673.db2.gz	DHLMXGLFANCVKT-UHFFFAOYSA-N	1	0	351.859	1.930	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)C[C@@H](OC)c1ccccc1	ZINC000922022523	894508221	/nfs/dbraw/zinc/50/82/21/894508221.db2.gz	MEYGKIYNMMBSQR-GOSISDBHSA-N	1	0	350.484	1.733	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1C[C@H](OCC)C12CCOCC2)C1CC[NH+](C)CC1	ZINC000922025176	894531564	/nfs/dbraw/zinc/53/15/64/894531564.db2.gz	QWEZTFFABBJTGT-ROUUACIJSA-N	1	0	363.502	1.700	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1coc(C(=O)N(C)C)c1C	ZINC000922025875	894538135	/nfs/dbraw/zinc/53/81/35/894538135.db2.gz	QEOGQHZBCWXUHK-UHFFFAOYSA-N	1	0	367.471	1.008	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)C[C@@H](Cc1ccccc1)OC	ZINC000922026250	894540565	/nfs/dbraw/zinc/54/05/65/894540565.db2.gz	SKACDPKBWWMXLT-LJQANCHMSA-N	1	0	364.511	1.603	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-]	ZINC000922024311	894561911	/nfs/dbraw/zinc/56/19/11/894561911.db2.gz	OXDXVYVWUXQOHF-UHFFFAOYSA-N	1	0	365.455	1.497	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2conc2C)C3)CC1	ZINC000999916357	896389957	/nfs/dbraw/zinc/38/99/57/896389957.db2.gz	MZEVBFONIOXGHV-NJAFHUGGSA-N	1	0	370.453	1.190	20	30		FDEDRO
O=C(NCc1ccc(C(=O)NO)cc1)c1cnn(CC[NH+]2CCCCC2)c1	ZINC000671996189	896413198	/nfs/dbraw/zinc/41/31/98/896413198.db2.gz	DXKAKCOBVPKWLM-UHFFFAOYSA-N	1	0	371.441	1.418	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCO[C@H]3C=C)nn2)C1	ZINC000999987028	896519682	/nfs/dbraw/zinc/51/96/82/896519682.db2.gz	MYPMDHWTPGUHDS-KSZLIROESA-N	1	0	357.458	1.146	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)nn2)C1	ZINC000999998511	896548125	/nfs/dbraw/zinc/54/81/25/896548125.db2.gz	TYQQQSCJGVYVEE-BZUAXINKSA-N	1	0	355.446	1.244	20	30		FDEDRO
Cc1n[nH]c(C)c1[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1O	ZINC001077851806	896592624	/nfs/dbraw/zinc/59/26/24/896592624.db2.gz	GAQXKODOSOJBQU-NXOUGTEYSA-N	1	0	367.453	1.363	20	30		FDEDRO
C#CCC[N@H+]1C[C@H](NC(=O)[C@]23CCC[C@H]2OCC3)CC2(CCOCC2)C1	ZINC001089946862	896789066	/nfs/dbraw/zinc/78/90/66/896789066.db2.gz	POAJKPRVDMSKFV-OPYAIIAOSA-N	1	0	360.498	1.956	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC2(CCOCC2)C1	ZINC001089947356	896806346	/nfs/dbraw/zinc/80/63/46/896806346.db2.gz	CZRDLEIQOSOTJJ-CADBVGFASA-N	1	0	360.498	1.812	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2cccs2)C[C@H]1C	ZINC001106969436	896899532	/nfs/dbraw/zinc/89/95/32/896899532.db2.gz	ZXWODNDOPLEMIE-OWCLPIDISA-N	1	0	361.511	1.503	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccc(OC)c(F)c2)[C@H](OC)C1	ZINC001212428200	896904636	/nfs/dbraw/zinc/90/46/36/896904636.db2.gz	RRXYZLHMRCTXGR-NVXWUHKLSA-N	1	0	352.406	1.466	20	30		FDEDRO
C=C(C)CC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@]34C[C@H]3COC4)C2)n1	ZINC001128106656	896959583	/nfs/dbraw/zinc/95/95/83/896959583.db2.gz	BIXXBAPBVLZXOI-CDXJDZJCSA-N	1	0	370.497	1.869	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(c3cccc(CNCC#N)n3)C2)CC[N@@H+]1C	ZINC001128107178	896961877	/nfs/dbraw/zinc/96/18/77/896961877.db2.gz	NBBWIRFKNBHDMI-OKZBNKHCSA-N	1	0	370.501	1.120	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cncc(Cl)c2C)[C@H](OC)C1	ZINC001212430556	897021580	/nfs/dbraw/zinc/02/15/80/897021580.db2.gz	RKAOPJOEXLVGOM-HZPDHXFCSA-N	1	0	353.850	1.675	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1	ZINC000942450770	897059749	/nfs/dbraw/zinc/05/97/49/897059749.db2.gz	YZRFEFQTSBAMIA-OAGGEKHMSA-N	1	0	361.442	1.263	20	30		FDEDRO
C[C@H]1CN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C[C@H](C)N1CC#N	ZINC000921706252	897228239	/nfs/dbraw/zinc/22/82/39/897228239.db2.gz	VWQQUYGPYOTRFI-HOTGVXAUSA-N	1	0	374.489	1.150	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)COc2ccc(OC)cc2)C[C@H]1C	ZINC001106975640	897283479	/nfs/dbraw/zinc/28/34/79/897283479.db2.gz	YIPDRFVYEJKJHX-IAGOWNOFSA-N	1	0	360.454	1.408	20	30		FDEDRO
C[C@@H]1CN(C(=O)CNC(=O)C(C)(C)C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001106976274	897306108	/nfs/dbraw/zinc/30/61/08/897306108.db2.gz	BJXPRPYILUIEBJ-CRAIPNDOSA-N	1	0	370.497	1.905	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CCCc2nc(C)no2)C[C@H]1C	ZINC001106978842	897364479	/nfs/dbraw/zinc/36/44/79/897364479.db2.gz	OGDBXITXSKTTPT-GDBMZVCRSA-N	1	0	350.463	1.587	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)[C@H](OC)C2)cc1	ZINC000942596289	897500743	/nfs/dbraw/zinc/50/07/43/897500743.db2.gz	YAWFEYIAYNRMOL-GUDVDZBRSA-N	1	0	369.465	1.108	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1N(C(=O)c1ccc(C#N)[nH]1)CC2	ZINC000995261649	897567863	/nfs/dbraw/zinc/56/78/63/897567863.db2.gz	OQGWUDGTULTOFE-MBOZVWFJSA-N	1	0	369.469	1.482	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@H]1O	ZINC001078082413	897909111	/nfs/dbraw/zinc/90/91/11/897909111.db2.gz	LGHNFWZPKWSKSR-NHCUHLMSSA-N	1	0	364.445	1.451	20	30		FDEDRO
C#CCOc1ccccc1NCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1	ZINC000184625132	898336952	/nfs/dbraw/zinc/33/69/52/898336952.db2.gz	MBINCDUPFOTWKJ-QGZVFWFLSA-N	1	0	359.470	1.584	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cnc(C)s2)C1	ZINC001078472315	898802541	/nfs/dbraw/zinc/80/25/41/898802541.db2.gz	UCNQFHBCHYMOPE-UAGQMJEPSA-N	1	0	365.499	1.750	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC000943405121	898840808	/nfs/dbraw/zinc/84/08/08/898840808.db2.gz	UWXXDLYXLSRAQM-KBAYOESNSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccnn2C)C1	ZINC001078485777	898841680	/nfs/dbraw/zinc/84/16/80/898841680.db2.gz	GOJXYFUZKIZKSR-BZSNNMDCSA-N	1	0	362.474	1.108	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](OC)C1	ZINC000943466155	898911159	/nfs/dbraw/zinc/91/11/59/898911159.db2.gz	RKBQKGHOWWNMKB-HZPDHXFCSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)C2([NH+](C)C)CCC2)C1	ZINC000943547649	899003958	/nfs/dbraw/zinc/00/39/58/899003958.db2.gz	ONGNAYVHHXBIJC-BBWFWOEESA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1	ZINC000943591645	899049863	/nfs/dbraw/zinc/04/98/63/899049863.db2.gz	MOBTZUQYOXCKPE-ARFHVFGLSA-N	1	0	351.491	1.273	20	30		FDEDRO
CCc1nc(C#N)cc(NC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001061014603	899061844	/nfs/dbraw/zinc/06/18/44/899061844.db2.gz	QLHRCHCXNDTCGO-IJEWVQPXSA-N	1	0	356.474	1.511	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1	ZINC000943621704	899095069	/nfs/dbraw/zinc/09/50/69/899095069.db2.gz	ZSPDSXYQLSDSGE-ZIAGYGMSSA-N	1	0	369.893	1.203	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)CCOC)C[C@H]1C	ZINC001107005116	899148230	/nfs/dbraw/zinc/14/82/30/899148230.db2.gz	VIYCOFRXQNOSMP-KZNAEPCWSA-N	1	0	367.534	1.768	20	30		FDEDRO
C=CCC1(C(=O)NC[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)CCC1	ZINC001065206120	914339901	/nfs/dbraw/zinc/33/99/01/914339901.db2.gz	JNMMQDAWDORVPF-IXDOHACOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1	ZINC000943788383	899389491	/nfs/dbraw/zinc/38/94/91/899389491.db2.gz	HTRLKORAOBTDHM-OTWHNJEPSA-N	1	0	371.481	1.462	20	30		FDEDRO
C#CCC1(C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC3)CCC1	ZINC001061026604	899432872	/nfs/dbraw/zinc/43/28/72/899432872.db2.gz	QTEUPSVSJRQZNL-QZTJIDSGSA-N	1	0	371.525	1.971	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C3CC3)cc2)C[C@H]1C	ZINC001107015595	899546249	/nfs/dbraw/zinc/54/62/49/899546249.db2.gz	WUQCNJQYYIECML-GQIGUUNPSA-N	1	0	367.493	2.000	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCCN(C)C1=O	ZINC001107017096	899553440	/nfs/dbraw/zinc/55/34/40/899553440.db2.gz	OTEZFKGPXUDZCI-MISYRCLQSA-N	1	0	367.493	1.733	20	30		FDEDRO
C=C[C@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)c1ccccc1	ZINC001107019149	899562294	/nfs/dbraw/zinc/56/22/94/899562294.db2.gz	UDEWOVXOLLTEHI-ZHALLVOQSA-N	1	0	368.481	1.670	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CNC(=O)c2ccccn2)C[C@H]1C	ZINC001107026531	899630718	/nfs/dbraw/zinc/63/07/18/899630718.db2.gz	RAFWKAWQMWFYGJ-IXDOHACOSA-N	1	0	358.486	1.850	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3cc(C)ccc3o2)C[C@H]1C	ZINC001107033162	899778637	/nfs/dbraw/zinc/77/86/37/899778637.db2.gz	KLOZGCNXVQQNLW-NVXWUHKLSA-N	1	0	367.449	1.788	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1	ZINC000944169826	899942681	/nfs/dbraw/zinc/94/26/81/899942681.db2.gz	HSGMMFGGHMWYND-ZTFGCOKTSA-N	1	0	354.454	1.124	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c(C)nsc2C)C[C@H]1C	ZINC001107048300	900129240	/nfs/dbraw/zinc/12/92/40/900129240.db2.gz	QJROAFJVXDKHOF-UXIGCNINSA-N	1	0	362.499	1.196	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](OC)C1	ZINC000944396586	900215163	/nfs/dbraw/zinc/21/51/63/900215163.db2.gz	XLYOYNINRNSBGM-HZPDHXFCSA-N	1	0	365.518	1.805	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C(N)=O)cc2)[C@H](C)C1	ZINC001107058921	900302464	/nfs/dbraw/zinc/30/24/64/900302464.db2.gz	HXWUSPIBXFVLLK-CRAIPNDOSA-N	1	0	359.470	1.562	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)N(CC)CC)[C@H](C)C1	ZINC001107062130	900440922	/nfs/dbraw/zinc/44/09/22/900440922.db2.gz	ADCGINXXTZXRLM-IXDOHACOSA-N	1	0	353.507	1.520	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CC(F)F)[C@H](C)C1	ZINC001107062195	900442480	/nfs/dbraw/zinc/44/24/80/900442480.db2.gz	CEVXYPDSDHQABV-MGPQQGTHSA-N	1	0	371.432	1.318	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2coc3ccccc32)C[C@H]1C	ZINC001107080680	900590511	/nfs/dbraw/zinc/59/05/11/900590511.db2.gz	ANQFNOGISVAFOZ-HUUCEWRRSA-N	1	0	353.422	1.480	20	30		FDEDRO
C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1O	ZINC001077582186	900596082	/nfs/dbraw/zinc/59/60/82/900596082.db2.gz	DINRTFVIPHECJE-QZTJIDSGSA-N	1	0	368.437	1.188	20	30		FDEDRO
Cc1ccccc1C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001107087162	900718095	/nfs/dbraw/zinc/71/80/95/900718095.db2.gz	QTBFIGMVUAIZCO-IAGOWNOFSA-N	1	0	370.497	1.597	20	30		FDEDRO
C=C1CCC(C(=O)NC[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)CC1	ZINC000944761961	900813970	/nfs/dbraw/zinc/81/39/70/900813970.db2.gz	NENWGABJAICGQD-BPQIPLTHSA-N	1	0	363.502	1.417	20	30		FDEDRO
Cc1ccc(CCC(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)s1	ZINC001107093290	900848549	/nfs/dbraw/zinc/84/85/49/900848549.db2.gz	VZVYFUUBYNBJQS-UKRRQHHQSA-N	1	0	362.499	1.313	20	30		FDEDRO
C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@@H](C#N)c2ccc(Br)cc2)C1	ZINC000900112169	900936188	/nfs/dbraw/zinc/93/61/88/900936188.db2.gz	SYPGEPGPBDOKAG-GOEBONIOSA-N	1	0	366.259	1.977	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+][C@@H]3CCC(=O)NC3=O)[C@H](C)C2)CCCC1	ZINC001107098649	900952329	/nfs/dbraw/zinc/95/23/29/900952329.db2.gz	BIJMRFWAJRYDTM-BZUAXINKSA-N	1	0	361.486	1.612	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)CC1	ZINC001079084153	901106535	/nfs/dbraw/zinc/10/65/35/901106535.db2.gz	GSLPRTQZPFCLII-KSZLIROESA-N	1	0	365.518	1.759	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccnc(C#N)n2)CC[N@@H+]1C	ZINC001064544047	901395727	/nfs/dbraw/zinc/39/57/27/901395727.db2.gz	BZSSKSLEZHDQGU-VVLHAWIVSA-N	1	0	368.485	1.648	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1(CNC(=O)C[N@H+]2CCC[C@H]2C)CCC1	ZINC001064548170	901400479	/nfs/dbraw/zinc/40/04/79/901400479.db2.gz	SSVLIZWVDOKROT-ZACQAIPSSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NC(=O)CC[C@H]2CCC[N@H+]2C)CCC1	ZINC001064585542	901439624	/nfs/dbraw/zinc/43/96/24/901439624.db2.gz	LWJCCRUUTQZTCB-ZACQAIPSSA-N	1	0	363.502	1.607	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC3(C2)CCN(c2ccc(C#N)nn2)CC3)CC[N@@H+]1C	ZINC001064589872	901447985	/nfs/dbraw/zinc/44/79/85/901447985.db2.gz	ZLEWXNTZVWTNDJ-NVXWUHKLSA-N	1	0	368.485	1.507	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC3(C2)CCN(c2ccnc(C#N)n2)CC3)CC[N@@H+]1C	ZINC001064589594	901448296	/nfs/dbraw/zinc/44/82/96/901448296.db2.gz	NBHHHVXSWONXOE-HZPDHXFCSA-N	1	0	368.485	1.507	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N1CC[C@H]2CN(c3ncc(C#N)cc3F)C[C@H]21	ZINC001090325625	901700340	/nfs/dbraw/zinc/70/03/40/901700340.db2.gz	GOLKPIULYLGDJF-DOTOQJQBSA-N	1	0	359.449	1.861	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(c3ncc(C#N)cc3Cl)C[C@H]21	ZINC001090331401	901724608	/nfs/dbraw/zinc/72/46/08/901724608.db2.gz	ONJGQRIHURHFKV-GOEBONIOSA-N	1	0	361.877	1.986	20	30		FDEDRO
C=CCC1(c2nc(CC(=O)N3CCC([NH+](C)C)CC3)no2)CCOCC1	ZINC000351287044	901766671	/nfs/dbraw/zinc/76/66/71/901766671.db2.gz	HGKSDOWJEDXXSC-UHFFFAOYSA-N	1	0	362.474	1.789	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2c[nH]c(C)n2)C1	ZINC001079129750	901935855	/nfs/dbraw/zinc/93/58/55/901935855.db2.gz	DSJIZYRVXAPENX-RTBURBONSA-N	1	0	354.454	1.982	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cc(=O)n(C)o2)C1	ZINC001079132483	901946111	/nfs/dbraw/zinc/94/61/11/901946111.db2.gz	PAFYONYBZYUAGC-IAGOWNOFSA-N	1	0	371.437	1.242	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2c[nH]c(=O)cn2)C1	ZINC001079142794	901952103	/nfs/dbraw/zinc/95/21/03/901952103.db2.gz	VGTIMZZHAWPNEF-QZTJIDSGSA-N	1	0	368.437	1.034	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2c(C)n[nH]c2C)C1	ZINC001079144901	901955034	/nfs/dbraw/zinc/95/50/34/901955034.db2.gz	GHYNGAMDGKUNHQ-RTBURBONSA-N	1	0	366.465	1.737	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1CN(CC#N)C[C@H]1O	ZINC001079147566	901974089	/nfs/dbraw/zinc/97/40/89/901974089.db2.gz	WYRURLPZAOKBNV-XUVXKRRUSA-N	1	0	370.497	1.458	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnnn2CC)CC[C@H]1c1ccc(F)cc1	ZINC001079152492	901988269	/nfs/dbraw/zinc/98/82/69/901988269.db2.gz	OQUWTXGXFVHTMJ-DLBZAZTESA-N	1	0	355.417	1.658	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnn(CC)n2)C1	ZINC001079134676	901997610	/nfs/dbraw/zinc/99/76/10/901997610.db2.gz	LOMKUOYVOKBXFC-RTBURBONSA-N	1	0	367.453	1.009	20	30		FDEDRO
C#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001079135944	902003766	/nfs/dbraw/zinc/00/37/66/902003766.db2.gz	WZPQYAXLEFAEDR-VBSBHUPXSA-N	1	0	355.482	1.034	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1CN(CC#N)C[C@H]1O	ZINC001079137961	902016383	/nfs/dbraw/zinc/01/63/83/902016383.db2.gz	FESZMYSDQVLBCO-IPMKNSEASA-N	1	0	356.470	1.068	20	30		FDEDRO
CCn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1c1cccc(F)c1	ZINC001079175099	902057923	/nfs/dbraw/zinc/05/79/23/902057923.db2.gz	WDZKITYOTPGKSF-JEBQAFNWSA-N	1	0	370.432	1.681	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CCn2cncn2)C1	ZINC001079174865	902058642	/nfs/dbraw/zinc/05/86/42/902058642.db2.gz	KGMHVRZMUMWUMP-XOKHGSTOSA-N	1	0	356.405	1.161	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CC[C@H]1c1ccc(F)cc1	ZINC001079159335	902082395	/nfs/dbraw/zinc/08/23/95/902082395.db2.gz	WZDGSKQDNBGVGZ-XWTMOSNGSA-N	1	0	359.445	1.797	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](NCC#N)C2)C1	ZINC001079161516	902086891	/nfs/dbraw/zinc/08/68/91/902086891.db2.gz	UOTLUTGNLKRFCY-AYOQOUSVSA-N	1	0	358.461	1.965	20	30		FDEDRO
C#CC[NH+]1CCC(N2C(=O)N[C@@H]3CN(C(=O)[C@@H]4C[C@H]4C4CC4)CC[C@H]32)CC1	ZINC001079165178	902093157	/nfs/dbraw/zinc/09/31/57/902093157.db2.gz	IEMSFMVJJFREOZ-WJFTUGDTSA-N	1	0	370.497	1.125	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]C[C@@H](C)O)C2)c1	ZINC001079198658	902098206	/nfs/dbraw/zinc/09/82/06/902098206.db2.gz	LYHGWZJTVDULQZ-VOBQZIQPSA-N	1	0	367.424	1.781	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nnn(CC)c2CC)C[C@H]1c1cccc(F)c1	ZINC001079198545	902098235	/nfs/dbraw/zinc/09/82/35/902098235.db2.gz	GEGQQXSJRMHINK-DLBZAZTESA-N	1	0	369.444	1.831	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(C(C)C)nn2)C[C@H]1c1cccc(F)c1	ZINC001079205961	902110963	/nfs/dbraw/zinc/11/09/63/902110963.db2.gz	NOTHTWHEHVMLBZ-DLBZAZTESA-N	1	0	355.417	1.829	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1c1cccc(F)c1	ZINC001079205913	902111428	/nfs/dbraw/zinc/11/14/28/902111428.db2.gz	LGHPVGXIOTYKQX-LSDHHAIUSA-N	1	0	363.824	1.823	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]CCO)C2)nc1	ZINC001079207296	902114621	/nfs/dbraw/zinc/11/46/21/902114621.db2.gz	YPYVPLHFEIQDNO-PKOBYXMFSA-N	1	0	353.397	1.392	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1c1cccc(F)c1	ZINC001079182611	902124349	/nfs/dbraw/zinc/12/43/49/902124349.db2.gz	QXMIDSIFDGQYPM-LSDHHAIUSA-N	1	0	363.824	1.905	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(C)nnn2CC)C[C@H]1c1cccc(F)c1	ZINC001079186664	902133620	/nfs/dbraw/zinc/13/36/20/902133620.db2.gz	XEVCQHQXIQOHFU-DLBZAZTESA-N	1	0	355.417	1.577	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCN(C)C(=O)C2)C[C@H]1c1cccc(F)c1	ZINC001079189643	902141178	/nfs/dbraw/zinc/14/11/78/902141178.db2.gz	UVSOEVUVBQGEJW-RYQLBKOJSA-N	1	0	357.429	1.211	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1c1cccc(F)c1	ZINC001079190501	902145771	/nfs/dbraw/zinc/14/57/71/902145771.db2.gz	WAWBRJPFGPTHMS-LSDHHAIUSA-N	1	0	357.385	1.901	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccoc2CC(N)=O)C[C@H]1c1cccc(F)c1	ZINC001079196476	902160566	/nfs/dbraw/zinc/16/05/66/902160566.db2.gz	RDBWWXOIXJEYSK-DLBZAZTESA-N	1	0	369.396	1.278	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cccc(=O)[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079233586	902168429	/nfs/dbraw/zinc/16/84/29/902168429.db2.gz	RKMJMDQXRRYXGT-DOTOQJQBSA-N	1	0	355.438	1.364	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3ncccc3O)[C@@H]3COC[C@@H]32)CC1	ZINC001079238254	902182279	/nfs/dbraw/zinc/18/22/79/902182279.db2.gz	PQHQVJFTVNXRAP-JKSUJKDBSA-N	1	0	357.454	1.916	20	30		FDEDRO
Cn1nccc1C[NH+]1CCC2(CN(C(=O)C#CC3CC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079241192	902191900	/nfs/dbraw/zinc/19/19/00/902191900.db2.gz	OMOKAHJFIYGLGZ-RBUKOAKNSA-N	1	0	368.481	1.273	20	30		FDEDRO
Cc1nocc1C[NH+]1CCC2(CN(C(=O)[C@@H](C)C#N)[C@@H]3COC[C@@H]32)CC1	ZINC001079228519	902244232	/nfs/dbraw/zinc/24/42/32/902244232.db2.gz	PDVCHAGLXQOSKO-RRQGHBQHSA-N	1	0	358.442	1.582	20	30		FDEDRO
Cc1oncc1C[NH+]1CCC2(CN(C(=O)[C@@H](C)C#N)[C@@H]3COC[C@@H]32)CC1	ZINC001079228680	902245592	/nfs/dbraw/zinc/24/55/92/902245592.db2.gz	VTJMYMREGNUAIL-RRQGHBQHSA-N	1	0	358.442	1.582	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cnn(CC)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079229910	902247011	/nfs/dbraw/zinc/24/70/11/902247011.db2.gz	OJWRTLTZKCNVQP-ZWKOTPCHSA-N	1	0	356.470	1.479	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc4occc4[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079244767	902249282	/nfs/dbraw/zinc/24/92/82/902249282.db2.gz	DUQXTKZRMFVRIC-WMLDXEAASA-N	1	0	353.422	1.947	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)CCn3ccccc3=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079244914	902251352	/nfs/dbraw/zinc/25/13/52/902251352.db2.gz	MPYHQNNAWYHFQA-ZWKOTPCHSA-N	1	0	371.481	1.364	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)C[C@H]3CCNC3=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079245095	902253745	/nfs/dbraw/zinc/25/37/45/902253745.db2.gz	WVGQOAWZTICUOX-IXDOHACOSA-N	1	0	361.486	1.028	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cnc4n[nH]cc4c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079247186	902259840	/nfs/dbraw/zinc/25/98/40/902259840.db2.gz	PYZIIETWANDKME-DLBZAZTESA-N	1	0	367.453	1.697	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cnc4n[nH]cc4c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079247079	902259937	/nfs/dbraw/zinc/25/99/37/902259937.db2.gz	KMYBMSMXZOAZLU-DLBZAZTESA-N	1	0	365.437	1.144	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ncn(C(C)(C)C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079260757	902299370	/nfs/dbraw/zinc/29/93/70/902299370.db2.gz	NTBCDUTWROYVJG-JKSUJKDBSA-N	1	0	371.485	1.219	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3ccco3)[C@@H]3COC[C@@H]32)CC1	ZINC001079263221	902303630	/nfs/dbraw/zinc/30/36/30/902303630.db2.gz	OELDFUOCWMIKLO-ZJPYXAASSA-N	1	0	354.450	1.956	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3ccc(C)[nH]c3=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079263956	902309030	/nfs/dbraw/zinc/30/90/30/902309030.db2.gz	SZOPYHATPSOPMY-ZWKOTPCHSA-N	1	0	369.465	1.672	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H](C)c3cccnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079270348	902329719	/nfs/dbraw/zinc/32/97/19/902329719.db2.gz	NWMWSPZOMKEQAL-YTQUADARSA-N	1	0	353.466	1.758	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3ccc(=O)[nH]c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079272372	902335104	/nfs/dbraw/zinc/33/51/04/902335104.db2.gz	LFGJAHWHFUYLRR-DLBZAZTESA-N	1	0	355.438	1.364	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)[C@@H](C)c3ccnn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079242912	902338798	/nfs/dbraw/zinc/33/87/98/902338798.db2.gz	AASJCBCRMTZLJZ-JENIJYKNSA-N	1	0	370.497	1.486	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cn4c(n3)CCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079242951	902339348	/nfs/dbraw/zinc/33/93/48/902339348.db2.gz	BWCVKPZMHBNDIX-DOTOQJQBSA-N	1	0	356.470	1.568	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCO[C@H]3C=C)[C@@H]3COC[C@@H]32)CC1	ZINC001079243136	902340943	/nfs/dbraw/zinc/34/09/43/902340943.db2.gz	NTGUGIOQWGIKAP-WCIQWLHISA-N	1	0	372.509	1.930	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)C[C@H]1c1ccccc1F	ZINC001079299167	902342413	/nfs/dbraw/zinc/34/24/13/902342413.db2.gz	ALBNKWBHXNGDOZ-UWWQBHOKSA-N	1	0	359.445	1.764	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(=O)Nc2ccccc2)C[C@H]1c1ccccc1F	ZINC001079301551	902349851	/nfs/dbraw/zinc/34/98/51/902349851.db2.gz	CDKJWDMNIIEBPK-PKOBYXMFSA-N	1	0	365.408	1.982	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)CCc3cnn(C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079274493	902356203	/nfs/dbraw/zinc/35/62/03/902356203.db2.gz	RNALOBBKCICJJK-RBUKOAKNSA-N	1	0	370.497	1.315	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1c1ccccc1F)C(N)=O	ZINC001079292498	902393091	/nfs/dbraw/zinc/39/30/91/902393091.db2.gz	XUMHLLRHLKCDMQ-HYSWKAIVSA-N	1	0	369.400	1.097	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)N2CCCCC2=O)C[C@H]1c1ccccc1F	ZINC001079321827	902424430	/nfs/dbraw/zinc/42/44/30/902424430.db2.gz	FBVUUSVEQNDZGS-VDZJLULYSA-N	1	0	371.456	1.744	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccc(C(N)=O)n2)C[C@H]1c1ccccc1F	ZINC001079322975	902427472	/nfs/dbraw/zinc/42/74/72/902427472.db2.gz	HGXWTFVBOYKMRF-KBXCAEBGSA-N	1	0	368.412	1.703	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)ccn2)C[C@H]1c1ccccc1F	ZINC001079324629	902428936	/nfs/dbraw/zinc/42/89/36/902428936.db2.gz	ZTMDZFYVMGHBLO-MAUKXSAKSA-N	1	0	368.412	1.703	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2CC[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21	ZINC001084409290	914638109	/nfs/dbraw/zinc/63/81/09/914638109.db2.gz	QUUKPEFTVGSJEP-ZHALLVOQSA-N	1	0	369.469	1.078	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2cccc(C#N)c2)C(C)(C)C1	ZINC000995927927	902647512	/nfs/dbraw/zinc/64/75/12/902647512.db2.gz	ZFJOUASCUMNWSQ-WBAXXEDZSA-N	1	0	357.454	1.689	20	30		FDEDRO
C[C@@]1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)CCNC(=O)C1	ZINC001084449025	914670997	/nfs/dbraw/zinc/67/09/97/914670997.db2.gz	OTXQMMBXJZGDSB-DBXWQHBBSA-N	1	0	366.465	1.507	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CC2(C)C)C3)CC1	ZINC000996111110	903117411	/nfs/dbraw/zinc/11/74/11/903117411.db2.gz	XCARMWJOCBLICX-BDXSIMOUSA-N	1	0	357.498	1.626	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c[nH]c(C#N)c2)C3)CC[N@@H+]1C	ZINC000996127076	903161976	/nfs/dbraw/zinc/16/19/76/903161976.db2.gz	REWSQZQEUVAZHE-ICUGJSFKSA-N	1	0	369.469	1.478	20	30		FDEDRO
CC1(C)CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC000996302887	903641671	/nfs/dbraw/zinc/64/16/71/903641671.db2.gz	AUQZBKDUARBFIE-IJEWVQPXSA-N	1	0	358.417	1.145	20	30		FDEDRO
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C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CCNC(=O)c3ccco3)CCC[C@@H]12	ZINC001107627523	906091251	/nfs/dbraw/zinc/09/12/51/906091251.db2.gz	WAOZYFFTNQNMAD-YLJYHZDGSA-N	1	0	357.454	1.784	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CC[C@@H]3NC(=O)NC3=O)CCC[C@@H]12	ZINC001107628012	906098613	/nfs/dbraw/zinc/09/86/13/906098613.db2.gz	LDAPTCFYRJTBBR-QMTMVMCOSA-N	1	0	362.474	1.302	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCN3CCCC3=O)CCC[C@@H]12	ZINC001107636583	906135948	/nfs/dbraw/zinc/13/59/48/906135948.db2.gz	GNLRXSLLHJQGEB-YLJYHZDGSA-N	1	0	361.486	1.010	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)CS(=O)(=O)NC(C)(C)C)CCC[C@@H]12	ZINC001107637178	906141719	/nfs/dbraw/zinc/14/17/19/906141719.db2.gz	YBGZHDYQLDYOQS-CRAIPNDOSA-N	1	0	371.547	1.641	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)CCNC(=O)c3cnccn3)CCC[C@@H]12	ZINC001107638476	906181815	/nfs/dbraw/zinc/18/18/15/906181815.db2.gz	BPPIFKZMPPNWNL-YLJYHZDGSA-N	1	0	371.485	1.533	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)c3ccccn3)CCC[C@@H]12	ZINC001107640895	906202503	/nfs/dbraw/zinc/20/25/03/906202503.db2.gz	OVMVJUPJJHFYTF-YLJYHZDGSA-N	1	0	354.454	1.196	20	30		FDEDRO
C=CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCc1ccnn1C)CC2	ZINC001107650934	906227006	/nfs/dbraw/zinc/22/70/06/906227006.db2.gz	MTFWDTZTMSEQBV-YVWKXTFCSA-N	1	0	360.502	1.915	20	30		FDEDRO
C[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001080780817	906248687	/nfs/dbraw/zinc/24/86/87/906248687.db2.gz	DHTOTQXANVUIPZ-IMFGXOCKSA-N	1	0	357.473	1.956	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC4CCC3CC4)CCC[C@@H]12	ZINC001107647658	906272959	/nfs/dbraw/zinc/27/29/59/906272959.db2.gz	SJVJSJZUKHPKDM-XJSGOUBRSA-N	1	0	371.525	1.923	20	30		FDEDRO
C=CCCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N[C@@H](C)CC)CC2	ZINC001107649352	906283905	/nfs/dbraw/zinc/28/39/05/906283905.db2.gz	UBZYKEPRJQXILB-SQGPQFPESA-N	1	0	365.518	1.855	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](CC(C)C)C(N)=O)CCC[C@@H]12	ZINC001107656481	906299826	/nfs/dbraw/zinc/29/98/26/906299826.db2.gz	SMWJYAPKVRADPJ-MBOZVWFJSA-N	1	0	363.502	1.145	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CC[N@@H+](C)CCC	ZINC001077658371	906401357	/nfs/dbraw/zinc/40/13/57/906401357.db2.gz	WUOXBXRGOOJFAR-BBWFWOEESA-N	1	0	353.507	1.711	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001080877593	906563960	/nfs/dbraw/zinc/56/39/60/906563960.db2.gz	DHPBIQYLIDEYGH-HZPDHXFCSA-N	1	0	365.518	1.399	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001080877727	906566003	/nfs/dbraw/zinc/56/60/03/906566003.db2.gz	JYFZRAYYSWHBTP-GPMSIDNRSA-N	1	0	365.518	1.399	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCCO3)C[C@H]2OC)nc1	ZINC001082331404	906804005	/nfs/dbraw/zinc/80/40/05/906804005.db2.gz	LWCBNPAGGMUQOQ-QXAKKESOSA-N	1	0	357.454	1.451	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cncc(C(N)=O)c1	ZINC001080960985	906882312	/nfs/dbraw/zinc/88/23/12/906882312.db2.gz	QGVABSNIOGCRRV-FZKQIMNGSA-N	1	0	363.421	1.302	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCN(c2cccc(CNC(=O)[C@@H]3C[C@H]3C3CC3)n2)C1	ZINC001127851958	906886620	/nfs/dbraw/zinc/88/66/20/906886620.db2.gz	IJSBBDQQKCRISB-CEXWTWQISA-N	1	0	352.482	1.936	20	30		FDEDRO
C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C)N1CCCCC1=O	ZINC001080987175	906951329	/nfs/dbraw/zinc/95/13/29/906951329.db2.gz	PXRUQBUNUOKTRG-GPMSIDNRSA-N	1	0	368.481	1.896	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3c3ccco3)CC2)C1=O	ZINC000997026967	906953267	/nfs/dbraw/zinc/95/32/67/906953267.db2.gz	PCFUOIIPJGMFCO-BRWVUGGUSA-N	1	0	357.454	1.751	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nn3c(c2C)OCCC3)C[C@H]1c1ccccc1	ZINC001081124797	907187059	/nfs/dbraw/zinc/18/70/59/907187059.db2.gz	XLCXITDDNPMQLI-ZWKOTPCHSA-N	1	0	364.449	1.805	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1c1ccccc1	ZINC001081141700	907252226	/nfs/dbraw/zinc/25/22/26/907252226.db2.gz	ZJAWNIUQIXGZGA-ZWKOTPCHSA-N	1	0	369.465	1.686	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1	ZINC001081157679	907276370	/nfs/dbraw/zinc/27/63/70/907276370.db2.gz	BUGURQAFNJRGQE-YESZJQIVSA-N	1	0	369.465	1.588	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnn(CCOC)c2)C[C@H]1c1ccccc1	ZINC001081219590	907329925	/nfs/dbraw/zinc/32/99/25/907329925.db2.gz	JSUHCMNNGAMMBK-RBUKOAKNSA-N	1	0	354.454	1.913	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]1c1ccccc1	ZINC001081189187	907364411	/nfs/dbraw/zinc/36/44/11/907364411.db2.gz	NRICTPJRIXSIES-JKSUJKDBSA-N	1	0	350.484	1.580	20	30		FDEDRO
C=CC[NH2+]Cc1ccncc1O[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1	ZINC001127888596	907492639	/nfs/dbraw/zinc/49/26/39/907492639.db2.gz	RXRCEEGMZJANMO-GVDBMIGSSA-N	1	0	367.453	1.864	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1C	ZINC001082406785	907602381	/nfs/dbraw/zinc/60/23/81/907602381.db2.gz	UXBUVZHFUMKICK-RDTXWAMCSA-N	1	0	357.454	1.930	20	30		FDEDRO
Cn1nc(Br)c2c1ncnc2N=NC1CC[N@@H+]2CCC[C@@H]12	ZINC000765573234	907637422	/nfs/dbraw/zinc/63/74/22/907637422.db2.gz	ZLABTDPCCJRSGR-VIFPVBQESA-N	1	0	350.224	1.762	20	30		FDEDRO
Cc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)cnn1C	ZINC001082424886	907656717	/nfs/dbraw/zinc/65/67/17/907656717.db2.gz	JSWLCEVKYWPRQG-KZULUSFZSA-N	1	0	355.417	1.990	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2cccn2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082427713	907673473	/nfs/dbraw/zinc/67/34/73/907673473.db2.gz	BDYQFFKKYDMVSF-RDTXWAMCSA-N	1	0	355.417	1.921	20	30		FDEDRO
CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)cc1	ZINC001082450983	907730710	/nfs/dbraw/zinc/73/07/10/907730710.db2.gz	MSYZZTZJZLKDKS-JJRVBVJISA-N	1	0	363.483	1.576	20	30		FDEDRO
Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(C#N)ccc3F)C2)n(C)n1	ZINC001082440122	907773783	/nfs/dbraw/zinc/77/37/83/907773783.db2.gz	FHTFVVXBNYTXJE-SJKOYZFVSA-N	1	0	355.417	1.990	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2nnc[nH]2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082465849	907904265	/nfs/dbraw/zinc/90/42/65/907904265.db2.gz	ZPHHCEUPXMQVFB-MLGOLLRUSA-N	1	0	356.405	1.385	20	30		FDEDRO
COc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(C#N)ccc3OC)C2)on1	ZINC001082484674	907912462	/nfs/dbraw/zinc/91/24/62/907912462.db2.gz	ZVHCIQOGZZDYIZ-IUODEOHRSA-N	1	0	370.409	1.814	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082472409	907922338	/nfs/dbraw/zinc/92/23/38/907922338.db2.gz	JSGIFSQBKCQRLS-SUYBPPKGSA-N	1	0	358.417	1.160	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cncnc2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082484841	907971523	/nfs/dbraw/zinc/97/15/23/907971523.db2.gz	UBAVWSDCNBIVSH-RDTXWAMCSA-N	1	0	351.410	1.629	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1C	ZINC001082490170	907996470	/nfs/dbraw/zinc/99/64/70/907996470.db2.gz	GWPMSXXKEAFWIX-IUODEOHRSA-N	1	0	370.409	1.109	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+][C@H]1CCCN(CC(C)(C)C)C1=O	ZINC001082504528	908115200	/nfs/dbraw/zinc/11/52/00/908115200.db2.gz	DATVKDYCLOJEMO-BPQIPLTHSA-N	1	0	359.514	1.873	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]CC(=O)N1c2ccccc2C[C@H]1C	ZINC001082504909	908118586	/nfs/dbraw/zinc/11/85/86/908118586.db2.gz	SHFAEPVZTLKQER-GPMSIDNRSA-N	1	0	365.477	1.814	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC2(C)C)CC1	ZINC000997357031	908323972	/nfs/dbraw/zinc/32/39/72/908323972.db2.gz	IYEOROZBAJKMDY-BDXSIMOUSA-N	1	0	357.498	1.626	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@H]2CCCO2)CC1	ZINC000997357958	908327880	/nfs/dbraw/zinc/32/78/80/908327880.db2.gz	RZMVBPGFPMLJLY-YRXWBPOGSA-N	1	0	373.497	1.149	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CCCOC2)CC1	ZINC000997357996	908328840	/nfs/dbraw/zinc/32/88/40/908328840.db2.gz	SUXNPLYBCAORJK-YRXWBPOGSA-N	1	0	373.497	1.006	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc3n[nH]nc3n2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082546043	908453781	/nfs/dbraw/zinc/45/37/81/908453781.db2.gz	VIPBOYFRQGHSDJ-MEBBXXQBSA-N	1	0	367.438	1.536	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2cc(C3CC3)nn2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082558081	908598710	/nfs/dbraw/zinc/59/87/10/908598710.db2.gz	YOSYNWGFIQTTTF-RDTXWAMCSA-N	1	0	364.453	1.664	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2csc(C)n2)C1	ZINC001082568260	908709543	/nfs/dbraw/zinc/70/95/43/908709543.db2.gz	INITZKADZWBDHP-OLMNPRSZSA-N	1	0	360.527	1.528	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccnc(CCC)c3)C[C@H]2C)C1=O	ZINC001082574849	908823808	/nfs/dbraw/zinc/82/38/08/908823808.db2.gz	VDQDOERTORHENW-AYOQOUSVSA-N	1	0	370.497	1.871	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn3c2OCCC3)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082618646	909088929	/nfs/dbraw/zinc/08/89/29/909088929.db2.gz	YYTKWRUPNWZPSX-RDTXWAMCSA-N	1	0	365.437	1.788	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3nc(C)c(C)nc3C)C[C@H]2C)C1=O	ZINC001082633568	909198463	/nfs/dbraw/zinc/19/84/63/909198463.db2.gz	WWXBTQGMAOWLLG-CSMYWGQOSA-N	1	0	371.485	1.239	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C)cc3C)C[C@H]2O)nn1	ZINC001077812564	909263627	/nfs/dbraw/zinc/26/36/27/909263627.db2.gz	KCXCPMBCCFPEQG-IEBWSBKVSA-N	1	0	369.469	1.446	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc3nnnn3c2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082641423	909272746	/nfs/dbraw/zinc/27/27/46/909272746.db2.gz	NOSFPMDFOKRXBM-CXAGYDPISA-N	1	0	361.409	1.246	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@H]1C	ZINC001082659524	909373335	/nfs/dbraw/zinc/37/33/35/909373335.db2.gz	PZMBVGNKLLDSCS-AUJRIZCKSA-N	1	0	370.453	1.030	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082658792	909427856	/nfs/dbraw/zinc/42/78/56/909427856.db2.gz	XRJFZWJEKLNSPH-RBUQIHAASA-N	1	0	369.465	1.546	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@@H]3CCNC(=O)CC3)C2)cc1	ZINC001082678388	909560272	/nfs/dbraw/zinc/56/02/72/909560272.db2.gz	SDFHVDRCCPANRN-HHXXYDBFSA-N	1	0	353.466	1.634	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082684920	909568461	/nfs/dbraw/zinc/56/84/61/909568461.db2.gz	UCMNPNIUWMFYSV-IAQYHMDHSA-N	1	0	357.389	1.387	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082699964	909674909	/nfs/dbraw/zinc/67/49/09/909674909.db2.gz	OUMOMWVSQLJHLR-ZTFGCOKTSA-N	1	0	370.453	1.146	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cccc(C#N)c2)CC1	ZINC000997837768	909799833	/nfs/dbraw/zinc/79/98/33/909799833.db2.gz	XUNLDLXUHZNLTI-KXBFYZLASA-N	1	0	357.454	1.690	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3CCCS3(=O)=O)C2)CC1	ZINC001082723024	909833724	/nfs/dbraw/zinc/83/37/24/909833724.db2.gz	UFCQFIWLQUJEJB-NVXWUHKLSA-N	1	0	369.531	1.205	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(OC)n3)C2)c1	ZINC001082729811	909861254	/nfs/dbraw/zinc/86/12/54/909861254.db2.gz	GBCGKXPTPBYZKO-RDTXWAMCSA-N	1	0	350.422	1.717	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCn3nc(C)cc3C)C2)c1	ZINC001082730385	909866647	/nfs/dbraw/zinc/86/66/47/909866647.db2.gz	RKRFXDQFRSJSGF-AUUYWEPGSA-N	1	0	351.454	1.627	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082737612	909913465	/nfs/dbraw/zinc/91/34/65/909913465.db2.gz	GJYLESBYILAJID-SMNXXWJPSA-N	1	0	358.417	1.160	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082744307	909963208	/nfs/dbraw/zinc/96/32/08/909963208.db2.gz	DCPAYVUKRYMXBA-FZKQIMNGSA-N	1	0	370.432	1.395	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)C3(C(F)(F)F)CC3)C[C@H]2C)C1=O	ZINC001082759092	910028175	/nfs/dbraw/zinc/02/81/75/910028175.db2.gz	MIMOAOTXVUCSDM-JHJVBQTASA-N	1	0	359.392	1.552	20	30		FDEDRO
C#CCC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@@H]1C[C@H]1C(C)(C)C)CC2	ZINC001128012593	910065385	/nfs/dbraw/zinc/06/53/85/910065385.db2.gz	PQGSMJSRENSJBS-BZUAXINKSA-N	1	0	357.502	1.894	20	30		FDEDRO
Cc1ccnn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1	ZINC001082771098	910082336	/nfs/dbraw/zinc/08/23/36/910082336.db2.gz	HXTSFRCKFULGJG-DNVCBOLYSA-N	1	0	367.453	1.731	20	30		FDEDRO
CCCN1C[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)CC1=O	ZINC001082772692	910092175	/nfs/dbraw/zinc/09/21/75/910092175.db2.gz	ZKKVMGUAWGEXBV-AYOQOUSVSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1	ZINC000998059207	910252931	/nfs/dbraw/zinc/25/29/31/910252931.db2.gz	OQTSSDIGSVBRHE-SZMVWBNQSA-N	1	0	363.502	1.417	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082808156	910269568	/nfs/dbraw/zinc/26/95/68/910269568.db2.gz	XMJCHFPRTZHVLV-VQIMIIECSA-N	1	0	356.470	1.217	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2ccncn2)C[C@H]1C	ZINC001082814072	910277818	/nfs/dbraw/zinc/27/78/18/910277818.db2.gz	SQDIOIADVCXYRQ-CXAGYDPISA-N	1	0	351.410	1.607	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@H]2CCc3ncnn32)CC1	ZINC000998095782	910336705	/nfs/dbraw/zinc/33/67/05/910336705.db2.gz	WMNMODKWTYFZJL-ZACQAIPSSA-N	1	0	359.474	1.185	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3c3ccco3)CC2)C1=O	ZINC000998110820	910360930	/nfs/dbraw/zinc/36/09/30/910360930.db2.gz	PWPQVJRHEQRSRD-KZNAEPCWSA-N	1	0	371.481	1.998	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1	ZINC000998121686	910398306	/nfs/dbraw/zinc/39/83/06/910398306.db2.gz	POQBQTIRGGMTDX-XWSJACJDSA-N	1	0	357.498	1.768	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3oc(CC)nc3C)C[C@H]2C)C1=O	ZINC001082841761	910404385	/nfs/dbraw/zinc/40/43/85/910404385.db2.gz	GQJCLKLQEVJNDU-BPLDGKMQSA-N	1	0	360.458	1.382	20	30		FDEDRO
CCN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CCC[N@H+](CC#Cc2ccccc2)CC1	ZINC000998124423	910413367	/nfs/dbraw/zinc/41/33/67/910413367.db2.gz	FQGLAEMHECLOTA-AQNXPRMDSA-N	1	0	367.493	1.863	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cnn(CC4CC4)c3)C[C@H]2C)C1=O	ZINC001082846401	910422913	/nfs/dbraw/zinc/42/29/13/910422913.db2.gz	SYSQQFLLAXDYDW-FHLIZLRMSA-N	1	0	371.485	1.130	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cc(=O)[nH]c(C3CC3)c2)[C@H](OC)C1	ZINC001212390841	910477827	/nfs/dbraw/zinc/47/78/27/910477827.db2.gz	FLIDMRNDNIRACH-IAGOWNOFSA-N	1	0	361.442	1.296	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC(OCC)C2)C1	ZINC001082868945	910509488	/nfs/dbraw/zinc/50/94/88/910509488.db2.gz	FKZBAZRLJBRPME-RMFNQSEZSA-N	1	0	371.481	1.959	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCCCC3)C2)nc1	ZINC001082869239	910513573	/nfs/dbraw/zinc/51/35/73/910513573.db2.gz	YZRUJJIEJYZRIP-CRAIPNDOSA-N	1	0	354.454	1.126	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc4nonc4c3)C2)cn1	ZINC001082870942	910521952	/nfs/dbraw/zinc/52/19/52/910521952.db2.gz	SRTLPCGICYYSLY-BFUOFWGJSA-N	1	0	361.405	1.849	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCN(C(C)C)C2=O)C1	ZINC001082884800	910664026	/nfs/dbraw/zinc/66/40/26/910664026.db2.gz	GXZLNONVLMMLIQ-LSTHTHJFSA-N	1	0	367.493	1.656	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@H]2OC)CCOCC1	ZINC001212395280	910728339	/nfs/dbraw/zinc/72/83/39/910728339.db2.gz	DWIOIXKVUACPOP-HZPDHXFCSA-N	1	0	370.440	1.667	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1)N1CCCCC1=O	ZINC001082940154	911006282	/nfs/dbraw/zinc/00/62/82/911006282.db2.gz	GPFYOOGSPVJBCL-JTDSTZFVSA-N	1	0	368.481	1.896	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccc(C)nc3C)C[C@H]2C)C1=O	ZINC001082938345	911024839	/nfs/dbraw/zinc/02/48/39/911024839.db2.gz	JRYBVWBKPFLWJW-FSPWUOQZSA-N	1	0	356.470	1.535	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2C[C@@H](C)[C@H]([NH2+][C@H]3CCNC3=O)C2)cc1	ZINC001082949611	911065059	/nfs/dbraw/zinc/06/50/59/911065059.db2.gz	XPPMYJBEGWIKMZ-FHLIZLRMSA-N	1	0	357.454	1.119	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc(C3CC3)nn2)[C@H](OC)C1	ZINC001212403773	911209864	/nfs/dbraw/zinc/20/98/64/911209864.db2.gz	VBQWJDZRYFBPSO-QZTJIDSGSA-N	1	0	361.490	1.717	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]C[C@@H](CO)Cc1ccccc1Br	ZINC000843111587	911534477	/nfs/dbraw/zinc/53/44/77/911534477.db2.gz	UMLAUFALZBIDJA-ZDUSSCGKSA-N	1	0	353.260	1.329	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3cc(OC)ccc3OC)[C@H]2C1	ZINC001083110772	911897703	/nfs/dbraw/zinc/89/77/03/911897703.db2.gz	UBDCZOWKDHASKC-PKOBYXMFSA-N	1	0	360.454	1.734	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@@H]2CC[N@@H+](C)C2)cn1	ZINC000998956530	911926155	/nfs/dbraw/zinc/92/61/55/911926155.db2.gz	IKEZCCQMZPDIIU-VLQPXKRTSA-N	1	0	366.465	1.266	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1COCCO1	ZINC001085136820	921703531	/nfs/dbraw/zinc/70/35/31/921703531.db2.gz	NFUACGJOTMGCKC-KZNAEPCWSA-N	1	0	361.417	1.630	20	30		FDEDRO
C[N@H+](CC(=O)N1CCO[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@@H]21)C1CCC1	ZINC001083106076	912045708	/nfs/dbraw/zinc/04/57/08/912045708.db2.gz	ITFWZQVVLGJERA-VQTJNVASSA-N	1	0	368.481	1.454	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2scnc2C)C1=O	ZINC001085140730	921713647	/nfs/dbraw/zinc/71/36/47/921713647.db2.gz	SDCUKHHBGCTPCD-KFWWJZLASA-N	1	0	362.499	1.869	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnc4[nH]c(=O)[nH]c4c3)[C@H]2C1	ZINC001083126207	912097186	/nfs/dbraw/zinc/09/71/86/912097186.db2.gz	CVHVZPSWGOSZOZ-LSDHHAIUSA-N	1	0	357.414	1.155	20	30		FDEDRO
C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1	ZINC000999163018	912159682	/nfs/dbraw/zinc/15/96/82/912159682.db2.gz	ZQVQZTXUEMTNQM-HIEASXQVSA-N	1	0	351.491	1.021	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)CCn2c(C)csc2=O)[C@H](OC)C1	ZINC001212411621	912166285	/nfs/dbraw/zinc/16/62/85/912166285.db2.gz	DYLVFTRBRIJKHV-HUUCEWRRSA-N	1	0	353.488	1.390	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4c(c3)CCC(=O)N4)[C@H]2C1	ZINC001083137098	912185995	/nfs/dbraw/zinc/18/59/95/912185995.db2.gz	HOVYJXWGMDMRGI-ZWKOTPCHSA-N	1	0	353.422	1.120	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(S(N)(=O)=O)o3)[C@@H]2C1	ZINC001084483479	914927213	/nfs/dbraw/zinc/92/72/13/914927213.db2.gz	GBBYRDPYCUJIRW-CHWSQXEVSA-N	1	0	353.444	1.040	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@H]4CCCC(=O)N4)[C@@H]3C2)c1	ZINC001084503826	915053202	/nfs/dbraw/zinc/05/32/02/915053202.db2.gz	UJIIZVXOAPIBLE-GUDVDZBRSA-N	1	0	366.465	1.650	20	30		FDEDRO
Cc1n[nH]cc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21	ZINC001084563808	915370889	/nfs/dbraw/zinc/37/08/89/915370889.db2.gz	VQHGVRFQFPYVKE-VQIMIIECSA-N	1	0	365.437	1.967	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)C4)[C@@H]3C2)c1	ZINC001084665511	915966752	/nfs/dbraw/zinc/96/67/52/915966752.db2.gz	CPTQUZIKWYTFHA-FCGDIQPGSA-N	1	0	366.465	1.493	20	30		FDEDRO
Cn1ncc(CCC(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)n1	ZINC001084665970	915969958	/nfs/dbraw/zinc/96/99/58/915969958.db2.gz	DENBMRLQOXRMKX-IEBWSBKVSA-N	1	0	364.453	1.352	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3nnn(C)c3C(F)(F)F)[C@@H]2C1	ZINC001084708794	916394883	/nfs/dbraw/zinc/39/48/83/916394883.db2.gz	UJGUUDRWDXHKGE-VXGBXAGGSA-N	1	0	357.380	1.946	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@H]3CC[N@H+](CC[C@@H]4CCOC4)C[C@H]32)nn1	ZINC001084712992	916449444	/nfs/dbraw/zinc/44/94/44/916449444.db2.gz	FIQJIHHAJUOWOV-JFIYKMOQSA-N	1	0	359.474	1.427	20	30		FDEDRO
C#CCCCCC(=O)NC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCO1	ZINC001065210736	917461274	/nfs/dbraw/zinc/46/12/74/917461274.db2.gz	GGPVXEISBWXYIH-OKZBNKHCSA-N	1	0	363.502	1.254	20	30		FDEDRO
COc1ccc(C#N)cc1CN1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1	ZINC001084830512	917509171	/nfs/dbraw/zinc/50/91/71/917509171.db2.gz	XSPIAPGKQIZOHU-ZHALLVOQSA-N	1	0	368.481	1.551	20	30		FDEDRO
N#Cc1ccc(F)c(CN2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)c1	ZINC001084831325	917518010	/nfs/dbraw/zinc/51/80/10/917518010.db2.gz	HKHKGRVDHOMYLN-VQIMIIECSA-N	1	0	356.445	1.826	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4ncc(C)cn4)C[C@H]32)CC1	ZINC001084850955	917656914	/nfs/dbraw/zinc/65/69/14/917656914.db2.gz	FUZCLZSZZACXMZ-RTBURBONSA-N	1	0	367.497	1.163	20	30		FDEDRO
CN1C[C@@H](C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)CCC1=O	ZINC001084854435	917720386	/nfs/dbraw/zinc/72/03/86/917720386.db2.gz	LKLDZRRHHVIJCD-CEXWTWQISA-N	1	0	366.465	1.459	20	30		FDEDRO
CN1C[C@@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)CCC1=O	ZINC001084854679	917723798	/nfs/dbraw/zinc/72/37/98/917723798.db2.gz	SYDXEYBZEDOMPI-CEXWTWQISA-N	1	0	366.465	1.459	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCCN4C(N)=O)[C@@H]3C2)cc1	ZINC001084868630	917851400	/nfs/dbraw/zinc/85/14/00/917851400.db2.gz	VOLRBJOPJLTJPN-FGTMMUONSA-N	1	0	367.453	1.134	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cc(C)no4)C[C@@H]32)C1=O	ZINC001084888966	918008860	/nfs/dbraw/zinc/00/88/60/918008860.db2.gz	ZEXHLFNNOFJFCY-XHSDSOJGSA-N	1	0	358.442	1.306	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)Cn4cccn4)C[C@@H]32)s1	ZINC001084889810	918020357	/nfs/dbraw/zinc/02/03/57/918020357.db2.gz	IGBXFWRLLIZYAF-PBHICJAKSA-N	1	0	355.467	1.939	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CCC(=O)N4)C[C@@H]32)s1	ZINC001084905014	918191052	/nfs/dbraw/zinc/19/10/52/918191052.db2.gz	OUWWZUHXTNSTSA-WQVCFCJDSA-N	1	0	358.467	1.321	20	30		FDEDRO
CN1CCOC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001084925246	918354766	/nfs/dbraw/zinc/35/47/66/918354766.db2.gz	PWQDZIMSAXXRMM-HKBOAZHASA-N	1	0	367.493	1.292	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3C(=O)C(C)(C)C)C[C@@H]21	ZINC001084947324	918646547	/nfs/dbraw/zinc/64/65/47/918646547.db2.gz	NGNXBSYWKWMQER-KURKYZTESA-N	1	0	359.514	1.970	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)Cn4nccn4)C[C@@H]32)cc1	ZINC001084949538	918683756	/nfs/dbraw/zinc/68/37/56/918683756.db2.gz	CWDISALSYXSSRJ-MSOLQXFVSA-N	1	0	350.426	1.273	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(Br)n[nH]3)C[C@@H]21	ZINC001084951092	918702283	/nfs/dbraw/zinc/70/22/83/918702283.db2.gz	ZJPVLEIALHNIDR-YPMHNXCESA-N	1	0	351.248	1.732	20	30		FDEDRO
C[NH+](C)CCCNC(=S)NN=Cc1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000731928072	918847066	/nfs/dbraw/zinc/84/70/66/918847066.db2.gz	CSHFJTUAIYUWMX-UHFFFAOYSA-N	1	0	367.431	1.116	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cnc4ccc(OC)nn43)C[C@@H]21	ZINC001084974934	919046654	/nfs/dbraw/zinc/04/66/54/919046654.db2.gz	BPENKBSSQGBHMY-ZBFHGGJFSA-N	1	0	355.442	1.850	20	30		FDEDRO
C[C@@]1(C(=O)N2CC[C@H]3CC[N@H+](CC#Cc4ccccc4)[C@H]3C2)CNC(=O)C1	ZINC001084996174	919349168	/nfs/dbraw/zinc/34/91/68/919349168.db2.gz	UMAZIGAZQNMDFU-DXIQSLLYSA-N	1	0	365.477	1.487	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCOCC3)[C@H]2C1	ZINC001085023926	919792024	/nfs/dbraw/zinc/79/20/24/919792024.db2.gz	FMNMTIURYLHGPR-UWVAXJGDSA-N	1	0	363.502	1.370	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)CC(C)(F)F)C[C@@H]32)C1=O	ZINC001085024812	919798736	/nfs/dbraw/zinc/79/87/36/919798736.db2.gz	FYQSNGKUJDNBFS-KKUMJFAQSA-N	1	0	355.429	1.741	20	30		FDEDRO
NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)[C@H]2C1	ZINC001085034830	919915000	/nfs/dbraw/zinc/91/50/00/919915000.db2.gz	QSXOMECNVWVPOE-YSHGAJCASA-N	1	0	369.440	1.221	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CCN1C1CC1	ZINC000732674739	919961547	/nfs/dbraw/zinc/96/15/47/919961547.db2.gz	RISFQAIIJGZVAX-LJQANCHMSA-N	1	0	368.485	1.428	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3(N4CCOCC4)CCCC3)C[C@@H]21	ZINC001085047681	920048419	/nfs/dbraw/zinc/04/84/19/920048419.db2.gz	GVBJPZWNQBYKNA-MOPGFXCFSA-N	1	0	359.514	1.578	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4ncccc4C)[C@H]3C2)nn1	ZINC001085051891	920099963	/nfs/dbraw/zinc/09/99/63/920099963.db2.gz	OZNITJWCTFXHGZ-APWZRJJASA-N	1	0	366.469	1.904	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CC[C@H]3CC[N@@H+](C[C@H](CC)OC)[C@H]3C2)nn1	ZINC001085053510	920125884	/nfs/dbraw/zinc/12/58/84/920125884.db2.gz	ZHBCOGISOOVJHH-RYRKJORJSA-N	1	0	361.490	1.816	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3nc4nc(C)cc(C)n4n3)C[C@@H]21	ZINC001085087181	920726895	/nfs/dbraw/zinc/72/68/95/920726895.db2.gz	AFMOJPSBUPMLFA-CVEARBPZSA-N	1	0	354.458	1.854	20	30		FDEDRO
N#Cc1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)Cn4cncn4)C[C@@H]32)ccc1F	ZINC001085088354	920760065	/nfs/dbraw/zinc/76/00/65/920760065.db2.gz	QVSCTEOEXJWGSP-QAPCUYQASA-N	1	0	368.416	1.412	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ccnc(C)n4)C[C@@H]32)C1=O	ZINC001085095782	920876921	/nfs/dbraw/zinc/87/69/21/920876921.db2.gz	KTHYIJDAKCZYMP-JQHSSLGASA-N	1	0	369.469	1.108	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccnc(-n4cncn4)c3)C[C@@H]21	ZINC001085106048	920981028	/nfs/dbraw/zinc/98/10/28/920981028.db2.gz	HTVBRYRWQRWMFP-WBVHZDCISA-N	1	0	350.426	1.222	20	30		FDEDRO
COc1cc2c(c(C[NH2+]CCNC(=O)C3N=CC=CC3=O)c1)O[C@H](C)C2	ZINC000733333703	920988692	/nfs/dbraw/zinc/98/86/92/920988692.db2.gz	SDJXGNGWUSYOJJ-KRZJZYHWSA-N	1	0	357.410	1.635	20	30		FDEDRO
COc1cc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)cc(OC)c1OC	ZINC000733334340	920991066	/nfs/dbraw/zinc/99/10/66/920991066.db2.gz	HFDGAIOBRDDYJD-FBMGVBCBSA-N	1	0	361.398	1.328	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc3n2CCCC3)[nH]1	ZINC001085173867	921970288	/nfs/dbraw/zinc/97/02/88/921970288.db2.gz	MPCQGVSVUPADFZ-HUUCEWRRSA-N	1	0	367.457	1.645	20	30		FDEDRO
Cn1c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)nnc1C1CC1	ZINC001085174036	921970327	/nfs/dbraw/zinc/97/03/27/921970327.db2.gz	TUBAMJDJDKBTHX-HUUCEWRRSA-N	1	0	367.457	1.723	20	30		FDEDRO
CCn1nnc(C)c1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC001085174562	921994249	/nfs/dbraw/zinc/99/42/49/921994249.db2.gz	HKMPQEHAGJINPK-HZPDHXFCSA-N	1	0	355.446	1.637	20	30		FDEDRO
CN1CCOC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001085175112	921998022	/nfs/dbraw/zinc/99/80/22/921998022.db2.gz	FGSJVTYJSXVYGZ-GUDVDZBRSA-N	1	0	356.470	1.406	20	30		FDEDRO
CC(C)(C)N1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(C#N)c2)C1=O	ZINC001085176458	922005941	/nfs/dbraw/zinc/00/59/41/922005941.db2.gz	HJJADTWWTXDPNL-BRWVUGGUSA-N	1	0	371.485	1.916	20	30		FDEDRO
Cn1ncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)c1N	ZINC001085177599	922017077	/nfs/dbraw/zinc/01/70/77/922017077.db2.gz	OLRIHXZRYYGBRZ-IAGOWNOFSA-N	1	0	352.442	1.705	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2coc(CC)n2)C1=O	ZINC001085177656	922017445	/nfs/dbraw/zinc/01/74/45/922017445.db2.gz	RFOAXWBQBUPCSR-KFWWJZLASA-N	1	0	360.458	1.655	20	30		FDEDRO
Cn1nncc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001085187573	922075889	/nfs/dbraw/zinc/07/58/89/922075889.db2.gz	NAHPOAXNBZVEBX-IAGOWNOFSA-N	1	0	368.441	1.548	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2COC(=O)N2)c(F)c1	ZINC001085187460	922076082	/nfs/dbraw/zinc/07/60/82/922076082.db2.gz	IGWZWGXRUBFWLS-OAGGEKHMSA-N	1	0	360.389	1.323	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@](C)(CNc3ccnc(C#N)n3)C2)CC[N@@H+]1C	ZINC001065504046	922335264	/nfs/dbraw/zinc/33/52/64/922335264.db2.gz	NDPGJTDDDLEZOO-QMTMVMCOSA-N	1	0	356.474	1.151	20	30		FDEDRO
Cc1nnc(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(F)ccc2C#N)[nH]1	ZINC001085195064	922350450	/nfs/dbraw/zinc/35/04/50/922350450.db2.gz	GESJUHWPYZNEML-IAGOWNOFSA-N	1	0	370.432	1.884	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(C)nn2)C1=O	ZINC001085195713	922440186	/nfs/dbraw/zinc/44/01/86/922440186.db2.gz	LHRNRYRHQDUYIZ-BFYDXBDKSA-N	1	0	357.458	1.203	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(c4ccc(C#N)c(C)n4)C[C@H]3C2)CC[N@@H+]1C	ZINC001066079802	922552359	/nfs/dbraw/zinc/55/23/59/922552359.db2.gz	PPHNJDWSHQSYPB-ZSYWTGECSA-N	1	0	367.497	1.887	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C[NH+](CC)CC)CC1	ZINC001066193929	922580400	/nfs/dbraw/zinc/58/04/00/922580400.db2.gz	LQVFMSQGOFFVQZ-ZACQAIPSSA-N	1	0	351.491	1.417	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cn2nccn2)c(F)c1	ZINC001085212264	922796851	/nfs/dbraw/zinc/79/68/51/922796851.db2.gz	PXNIYCDYUXSXCF-IAGOWNOFSA-N	1	0	356.405	1.506	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[C@@H]2CCNC2=O)s1	ZINC001085223251	922934000	/nfs/dbraw/zinc/93/40/00/922934000.db2.gz	CVEOTRYTXINMHC-APHBMKBZSA-N	1	0	360.483	1.663	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1conc1CC	ZINC001085229605	922981765	/nfs/dbraw/zinc/98/17/65/922981765.db2.gz	ANKTWRZWDONHNB-QRVBRYPASA-N	1	0	358.486	1.852	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1cnn(C)c1	ZINC001085229927	922983463	/nfs/dbraw/zinc/98/34/63/922983463.db2.gz	RBQHWXWWJPUNKX-QRVBRYPASA-N	1	0	357.502	1.077	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCCC(=O)N2)c1	ZINC001085236928	923027691	/nfs/dbraw/zinc/02/76/91/923027691.db2.gz	ZKJYFUCWQMHGAD-KZNAEPCWSA-N	1	0	354.454	1.744	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cn[nH]c(=O)c2)s1	ZINC001085235114	923052544	/nfs/dbraw/zinc/05/25/44/923052544.db2.gz	FMNOWBHUNASADY-HUUCEWRRSA-N	1	0	357.439	1.946	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnc[nH]c2=O)c1	ZINC001085238527	923066979	/nfs/dbraw/zinc/06/69/79/923066979.db2.gz	UCINJRZBTKQKCI-IAGOWNOFSA-N	1	0	351.410	1.885	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000734216476	923073426	/nfs/dbraw/zinc/07/34/26/923073426.db2.gz	TULGFWFDKDRWQO-ZWKOTPCHSA-N	1	0	357.454	1.439	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](C)C2CN(C(=O)[C@@H]3C[C@H]3CCC)C2)CC1	ZINC001006238169	923116238	/nfs/dbraw/zinc/11/62/38/923116238.db2.gz	AGYPECOCBBNBIT-SZVBFZGTSA-N	1	0	359.514	1.731	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1	ZINC000734242655	923119443	/nfs/dbraw/zinc/11/94/43/923119443.db2.gz	RTVIHZCQARGLSH-GOSISDBHSA-N	1	0	370.453	1.048	20	30		FDEDRO
CN1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)CC1=O	ZINC001085247179	923140280	/nfs/dbraw/zinc/14/02/80/923140280.db2.gz	AEXICYYBDBCRKC-ATZDWAIDSA-N	1	0	368.481	1.944	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCNC2=O)cc1	ZINC001085247813	923151147	/nfs/dbraw/zinc/15/11/47/923151147.db2.gz	CRAHNEUOFOBXCJ-KZNAEPCWSA-N	1	0	357.454	1.771	20	30		FDEDRO
CC(CS(=O)(=O)c1ccc(C)cc1)=NNC(=S)NCCC[NH+](C)C	ZINC000734299300	923208441	/nfs/dbraw/zinc/20/84/41/923208441.db2.gz	MITYJSVNZSDPGW-UHFFFAOYSA-N	1	0	370.544	1.560	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN2CCCNC2=O)cc1	ZINC001085258168	923243286	/nfs/dbraw/zinc/24/32/86/923243286.db2.gz	UGQPVFQZDPHXCZ-QZTJIDSGSA-N	1	0	369.469	1.491	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cccnc2C)C1=O	ZINC001085315349	923781517	/nfs/dbraw/zinc/78/15/17/923781517.db2.gz	QWJULWIEMSOQCC-KZNAEPCWSA-N	1	0	356.470	1.808	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O	ZINC001085334724	923970707	/nfs/dbraw/zinc/97/07/07/923970707.db2.gz	FLRJTVWUEAEBCZ-YYIAUSFCSA-N	1	0	358.417	1.336	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)c1	ZINC001085335474	923973721	/nfs/dbraw/zinc/97/37/21/923973721.db2.gz	XQTKZBQJEGBHGM-FCGDIQPGSA-N	1	0	368.481	1.977	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1	ZINC001085335916	923977099	/nfs/dbraw/zinc/97/70/99/923977099.db2.gz	VILXCEHPUDQHGJ-MKXGPGLRSA-N	1	0	371.481	1.894	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc2n1CCCC2	ZINC001085337932	923993242	/nfs/dbraw/zinc/99/32/42/923993242.db2.gz	CJWSOFBEWBZZHN-VQHPVUNQSA-N	1	0	373.501	1.723	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCCOC2)nn1	ZINC001085358658	924170815	/nfs/dbraw/zinc/17/08/15/924170815.db2.gz	LWVGZDFJVKCITE-GVDBMIGSSA-N	1	0	361.490	1.911	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnc(C)nc2)nn1	ZINC001085358651	924171181	/nfs/dbraw/zinc/17/11/81/924171181.db2.gz	LRTKLFYHMIBADO-IAGOWNOFSA-N	1	0	369.473	1.783	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccn(CC)n2)nn1	ZINC001085358549	924171478	/nfs/dbraw/zinc/17/14/78/924171478.db2.gz	HWEQAHUXRWHWJN-IAGOWNOFSA-N	1	0	371.489	1.901	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(OC)n2)nn1	ZINC001085356554	924178776	/nfs/dbraw/zinc/17/87/76/924178776.db2.gz	DUQXYVIBPOHFIQ-HZPDHXFCSA-N	1	0	370.457	1.699	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nncn1C	ZINC001085357519	924190778	/nfs/dbraw/zinc/19/07/78/924190778.db2.gz	ASYUQVQMETWTCB-LHHMISFZSA-N	1	0	361.490	1.703	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21	ZINC000826804658	924318226	/nfs/dbraw/zinc/31/82/26/924318226.db2.gz	QNOTWDVPUZELHL-VYDXJSESSA-N	1	0	354.458	1.402	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cn([C@H]2CCOC2)nn1	ZINC001085386542	924372544	/nfs/dbraw/zinc/37/25/44/924372544.db2.gz	BYIKVNICHYXFCZ-BFHYXJOUSA-N	1	0	353.854	1.623	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc3c([nH]2)CCC3)C1=O	ZINC001085390682	924411291	/nfs/dbraw/zinc/41/12/91/924411291.db2.gz	RIXPSSXUDSZLPO-KURKYZTESA-N	1	0	370.497	1.921	20	30		FDEDRO
CC(=O)N1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001085407528	924514713	/nfs/dbraw/zinc/51/47/13/924514713.db2.gz	LHSVPRYEBPMMMV-VAMGGRTRSA-N	1	0	368.481	1.944	20	30		FDEDRO
CC(=O)N1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)C1	ZINC001085407821	924517192	/nfs/dbraw/zinc/51/71/92/924517192.db2.gz	XVJVGELHIUFOSC-XUVXKRRUSA-N	1	0	368.481	1.944	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)CCNC(=O)C1N=CC=CC1=O)Cc1ccccc1	ZINC000735834726	924591591	/nfs/dbraw/zinc/59/15/91/924591591.db2.gz	GIPCQSOHPXDFQN-DVSFIDLUSA-N	1	0	370.453	1.192	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cccn2CC)C1=O	ZINC001085424471	924596693	/nfs/dbraw/zinc/59/66/93/924596693.db2.gz	QMIOKSRYTGQHES-BRWVUGGUSA-N	1	0	358.486	1.926	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NCc2nccc(C)n2)CC1	ZINC001085432780	924680333	/nfs/dbraw/zinc/68/03/33/924680333.db2.gz	PMIHQZCQMAEIMF-RTBURBONSA-N	1	0	369.513	1.647	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1	ZINC000735940910	924688949	/nfs/dbraw/zinc/68/89/49/924688949.db2.gz	VFINXEUUXSVQTH-UHFFFAOYSA-N	1	0	363.345	1.561	20	30		FDEDRO
C=CCCOCC(=O)N[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1	ZINC001066268448	924853021	/nfs/dbraw/zinc/85/30/21/924853021.db2.gz	VOWGSPWGFJRAKJ-OKZBNKHCSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)COc2cccnc2)[C@@H](n2ccnn2)C1	ZINC001129320906	925043197	/nfs/dbraw/zinc/04/31/97/925043197.db2.gz	DJBDNUKHNDPXCB-NXHRZFHOSA-N	1	0	370.457	1.448	20	30		FDEDRO
CC[N@@H+]1C[C@H](C)N(CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C[C@@H]1C	ZINC000766251724	925376163	/nfs/dbraw/zinc/37/61/63/925376163.db2.gz	DTRNNKSSZHFVFH-OFQRWUPVSA-N	1	0	367.453	1.926	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CSCN2C(=O)[C@@H](C)CC)CC1	ZINC000740738064	925422169	/nfs/dbraw/zinc/42/21/69/925422169.db2.gz	SNXVHVWBNDOQKC-GOEBONIOSA-N	1	0	351.516	1.538	20	30		FDEDRO
C[NH+](C)CCc1ccc(NC(=O)CCNC(=O)C2N=CC=CC2=O)cc1	ZINC000742249797	925985141	/nfs/dbraw/zinc/98/51/41/925985141.db2.gz	AQEOVBDJBYQIQH-VHEBQXMUSA-N	1	0	356.426	1.646	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C3)nc1	ZINC001006286110	926116556	/nfs/dbraw/zinc/11/65/56/926116556.db2.gz	JOARFVQGNHXAFE-WLWJZTKJSA-N	1	0	366.465	1.409	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C3)nc1	ZINC001006286344	926158727	/nfs/dbraw/zinc/15/87/27/926158727.db2.gz	GAGAAOLLNSMAST-WLWJZTKJSA-N	1	0	366.465	1.266	20	30		FDEDRO
C=C(Br)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1	ZINC001086197281	926260929	/nfs/dbraw/zinc/26/09/29/926260929.db2.gz	BONGXHYGBYSGFA-QNWHQSFQSA-N	1	0	358.280	1.104	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2C(F)F)C1	ZINC001086202074	926286259	/nfs/dbraw/zinc/28/62/59/926286259.db2.gz	GTCNBHGTALTSFV-BEAPCOKYSA-N	1	0	368.428	1.933	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1	ZINC000743492651	926378895	/nfs/dbraw/zinc/37/88/95/926378895.db2.gz	YKAKYLGRENJEKS-XIRDDKMYSA-N	1	0	359.470	1.154	20	30		FDEDRO
C=CCn1cccc1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2	ZINC001006294874	926568660	/nfs/dbraw/zinc/56/86/60/926568660.db2.gz	OZKROSNXKMUWHS-TVFCKZIOSA-N	1	0	370.497	1.878	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@@H](C)Oc2ccccc2C#N)CC1	ZINC000744690226	926810898	/nfs/dbraw/zinc/81/08/98/926810898.db2.gz	JGIZUDWMPIVTFM-OAHLLOKOSA-N	1	0	373.453	1.858	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1	ZINC001086369496	926864876	/nfs/dbraw/zinc/86/48/76/926864876.db2.gz	KNJXLKIGKVWULR-TXTZMMAHSA-N	1	0	363.502	1.368	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(C#N)c2)C1	ZINC001006304343	927107794	/nfs/dbraw/zinc/10/77/94/927107794.db2.gz	QNUCEZZGFZAIML-ZACQAIPSSA-N	1	0	369.469	1.480	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@]34CCC[C@H]3OCC4)C2)C1=O	ZINC001086426838	927167978	/nfs/dbraw/zinc/16/79/78/927167978.db2.gz	MBLOGFYUVITZNY-ZTTBQOKTSA-N	1	0	361.486	1.217	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N2CCCC[C@H]2C)C1	ZINC001086480943	927517531	/nfs/dbraw/zinc/51/75/31/927517531.db2.gz	GUHASBXNEMHVSE-ZKXLYKBJSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCn2c(C)csc2=O)C1	ZINC001086482931	927537941	/nfs/dbraw/zinc/53/79/41/927537941.db2.gz	CWNYZTXIEOSNMN-FPCVCCKLSA-N	1	0	365.499	1.294	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(F)cc2)C1	ZINC001086483112	927538219	/nfs/dbraw/zinc/53/82/19/927538219.db2.gz	MJSFPWDSGLERCI-HBRVENNYSA-N	1	0	362.445	1.935	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)N2CCCCC2)C1	ZINC001086483337	927539245	/nfs/dbraw/zinc/53/92/45/927539245.db2.gz	XCFKHPJXTRIOSD-TXTZMMAHSA-N	1	0	363.502	1.463	20	30		FDEDRO
CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000746191780	927674231	/nfs/dbraw/zinc/67/42/31/927674231.db2.gz	XPUZTTMVBGTYFQ-MJWGMMHASA-N	1	0	362.474	1.674	20	30		FDEDRO
N#CCn1cc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cn1	ZINC000746355837	927902474	/nfs/dbraw/zinc/90/24/74/927902474.db2.gz	OKLOCLHSOGZFKO-MRXNPFEDSA-N	1	0	366.425	1.126	20	30		FDEDRO
CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)c1ccsc1	ZINC000746354278	927902521	/nfs/dbraw/zinc/90/25/21/927902521.db2.gz	QZWZSDVEAPWXIS-OAHLLOKOSA-N	1	0	374.470	1.606	20	30		FDEDRO
CCC[C@H]1CN(Cn2cc3c(c(C#N)c2=O)CCC3)CC[N@@H+]1CCOC	ZINC000766634398	928364641	/nfs/dbraw/zinc/36/46/41/928364641.db2.gz	VEBSFWUHTAHSNQ-KRWDZBQOSA-N	1	0	358.486	1.599	20	30		FDEDRO
CC(=O)N1CC[C@@H]([N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)C1	ZINC001169544861	928757114	/nfs/dbraw/zinc/75/71/14/928757114.db2.gz	HZMUREZUPPANBI-QUCCMNQESA-N	1	0	352.438	1.608	20	30		FDEDRO
COC(=O)n1ncc(C#N)c1Nc1ccc2nc([C@H]3CC[NH2+]C3)nn2c1	ZINC001169969525	928969561	/nfs/dbraw/zinc/96/95/61/928969561.db2.gz	KEVDESXUTXPVKV-JTQLQIEISA-N	1	0	352.358	1.232	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1	ZINC000766951552	929010686	/nfs/dbraw/zinc/01/06/86/929010686.db2.gz	HNSFNOUPCRQCCS-VYCZESIESA-N	1	0	361.490	1.751	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@@H]1CCSC1	ZINC000767068792	929066500	/nfs/dbraw/zinc/06/65/00/929066500.db2.gz	LFMNBKCCNCRSKE-ZIAGYGMSSA-N	1	0	368.503	1.395	20	30		FDEDRO
C[NH+](C)CCCC1CCN(C(=O)CCNC(=O)C2N=CC=CC2=O)CC1	ZINC000767128484	929098355	/nfs/dbraw/zinc/09/83/55/929098355.db2.gz	JNAKQWTWCOUZLC-VHEBQXMUSA-N	1	0	362.474	1.483	20	30		FDEDRO
N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC[C@@H]1CCCCO1	ZINC001108951654	929566778	/nfs/dbraw/zinc/56/67/78/929566778.db2.gz	CQTOTDZXGCZMPQ-QZWWFDLISA-N	1	0	367.515	1.550	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3cc(F)ccc3n1)C2	ZINC001109571031	929804701	/nfs/dbraw/zinc/80/47/01/929804701.db2.gz	JFVXTCFPKIGSIC-SQNIBIBYSA-N	1	0	372.444	1.940	20	30		FDEDRO
CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)NC(C)(C)C1=O	ZINC001109625087	929940359	/nfs/dbraw/zinc/94/03/59/929940359.db2.gz	OYRUZKJXGAEWMS-PMPSAXMXSA-N	1	0	374.485	1.232	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCNC(C)=O	ZINC001109634510	929954187	/nfs/dbraw/zinc/95/41/87/929954187.db2.gz	OSZOAELZJDEFCH-MHORFTMASA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)N(C)C	ZINC001109658069	930047300	/nfs/dbraw/zinc/04/73/00/930047300.db2.gz	PTSBQNNOHXGPEE-PMPSAXMXSA-N	1	0	357.520	1.346	20	30		FDEDRO
CC[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1	ZINC001109745587	930309112	/nfs/dbraw/zinc/30/91/12/930309112.db2.gz	UNJAPTHTMDKIOS-XWSJACJDSA-N	1	0	354.454	1.694	20	30		FDEDRO
COCC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1OCC[C@H]1C)C[C@H](C)O2	ZINC001111551226	930320172	/nfs/dbraw/zinc/32/01/72/930320172.db2.gz	VFCOXVRDXWOPDK-SQNIBIBYSA-N	1	0	364.486	1.143	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCC(C)C	ZINC001109804188	930494204	/nfs/dbraw/zinc/49/42/04/930494204.db2.gz	GQCBTUMAIFVAHL-XWSJACJDSA-N	1	0	365.518	1.851	20	30		FDEDRO
CN1CC[NH+](CCC(C)(C)NC(=O)NCCNc2ncccc2C#N)CC1	ZINC000771304712	930578406	/nfs/dbraw/zinc/57/84/06/930578406.db2.gz	KQINTCQEOWABIY-UHFFFAOYSA-N	1	0	373.505	1.080	20	30		FDEDRO
COCCC1N=NC(=S)N1N=Cc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000771561519	930743540	/nfs/dbraw/zinc/74/35/40/930743540.db2.gz	WUHYMJISEMJCGM-UHFFFAOYSA-N	1	0	360.487	1.390	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncoc1-c1ccon1)C2	ZINC001109985058	930969504	/nfs/dbraw/zinc/96/95/04/930969504.db2.gz	QRSMXJWENXPHGM-SNPRPXQTSA-N	1	0	358.398	1.867	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)C(=O)NC3=O)C2	ZINC001109998326	930996350	/nfs/dbraw/zinc/99/63/50/930996350.db2.gz	SZFUJGHURZSZKI-COXVUDFISA-N	1	0	369.421	1.108	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)NC(=O)Nc2ccccc2)CC1	ZINC000772113652	931081071	/nfs/dbraw/zinc/08/10/71/931081071.db2.gz	PWFNLRBTTIFFTD-CQSZACIVSA-N	1	0	357.410	1.612	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)NC(=O)Nc2cccc(C)c2C)CC1	ZINC000772112934	931081999	/nfs/dbraw/zinc/08/19/99/931081999.db2.gz	CKLSSSXSRGYIOJ-UHFFFAOYSA-N	1	0	371.437	1.840	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1n[nH]c(=O)c3ccccc31)C2	ZINC001110014853	931090873	/nfs/dbraw/zinc/09/08/73/931090873.db2.gz	LQPPVQKWZSHQJJ-COXVUDFISA-N	1	0	368.437	1.873	20	30		FDEDRO
CC[NH+](CC)CCOC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O	ZINC000772133265	931092997	/nfs/dbraw/zinc/09/29/97/931092997.db2.gz	QPRBKUFYQJYKDF-MRXNPFEDSA-N	1	0	372.425	1.648	20	30		FDEDRO
Cc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)ccc1C#N	ZINC001090432974	931093790	/nfs/dbraw/zinc/09/37/90/931093790.db2.gz	LDJSEJHBXLFEBB-ZHALLVOQSA-N	1	0	371.485	1.048	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccnc(C)c1)C2	ZINC001112548172	931451540	/nfs/dbraw/zinc/45/15/40/931451540.db2.gz	LIKZRYLMKXSWMA-PXNSSMCTSA-N	1	0	356.470	1.524	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CC(=O)NC(=O)C1)C2	ZINC001112545234	931454239	/nfs/dbraw/zinc/45/42/39/931454239.db2.gz	WVVIILNQOMTKNC-UVFQYZLESA-N	1	0	361.486	1.612	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccnc(C)c1)C2	ZINC001112548800	931473084	/nfs/dbraw/zinc/47/30/84/931473084.db2.gz	SEBAPICNGYLKBO-MMOPVJDHSA-N	1	0	368.481	1.360	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3n[nH]nc3C1)C2	ZINC001112562652	931595933	/nfs/dbraw/zinc/59/59/33/931595933.db2.gz	IAERGYHGZPGYCW-GLJUWKHASA-N	1	0	363.893	1.880	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1ccccc1)C2	ZINC001112568674	931632569	/nfs/dbraw/zinc/63/25/69/931632569.db2.gz	GSJDBXYJPGEPIW-UGKGYDQZSA-N	1	0	367.493	1.587	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCN(C(C)=O)C1)C2	ZINC001112571196	931653751	/nfs/dbraw/zinc/65/37/51/931653751.db2.gz	IXLQDJANPLZJOJ-BQFCYCMXSA-N	1	0	353.894	1.826	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1nc3nccc(C)n3n1)C2	ZINC001112573380	931673796	/nfs/dbraw/zinc/67/37/96/931673796.db2.gz	YXHQTFWPFZTJLQ-KXBFYZLASA-N	1	0	354.458	1.841	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1ccc3c(c1)OCCO3)C2	ZINC001112574308	931681218	/nfs/dbraw/zinc/68/12/18/931681218.db2.gz	ZUXAPXMWKHEARM-UWJYYQICSA-N	1	0	354.450	1.852	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COc1ccc(C(N)=O)cc1)C2	ZINC001112582436	931749272	/nfs/dbraw/zinc/74/92/72/931749272.db2.gz	WYKLDVNDHBBTKM-UWJYYQICSA-N	1	0	371.481	1.959	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C1CC1)N1CCOCC1)C2	ZINC001112582796	931750719	/nfs/dbraw/zinc/75/07/19/931750719.db2.gz	OSNYQNZJQMLXNU-ZJOUEHCJSA-N	1	0	359.514	1.339	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CN(CC)CCO1)C2	ZINC001112583422	931754507	/nfs/dbraw/zinc/75/45/07/931754507.db2.gz	SDHYRXCKHPZBME-NSHGMRRFSA-N	1	0	365.518	1.128	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCF)C1	ZINC001112585517	931765838	/nfs/dbraw/zinc/76/58/38/931765838.db2.gz	CIFZTIXEDDWZBB-KXBFYZLASA-N	1	0	368.497	1.828	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)C1CCC1)C2	ZINC001112585133	931789639	/nfs/dbraw/zinc/78/96/39/931789639.db2.gz	BIPFUVZUFYFUFJ-PXNSSMCTSA-N	1	0	363.502	1.324	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1ccc(C(N)=O)cc1)C2	ZINC001112588224	931792775	/nfs/dbraw/zinc/79/27/75/931792775.db2.gz	NCSHPZXFMCNOEU-RXVVDRJESA-N	1	0	353.466	1.570	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cnnn2CC)C1	ZINC001112588574	931797485	/nfs/dbraw/zinc/79/74/85/931797485.db2.gz	IAHXUKBASPFKAC-LPHOPBHVSA-N	1	0	361.490	1.609	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCc2ccnn2C)C1	ZINC001112589705	931807805	/nfs/dbraw/zinc/80/78/05/931807805.db2.gz	NBIYXCJVTBMAQW-ZWOKBUDYSA-N	1	0	360.502	1.772	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CCC(NC(C)=O)CC1)C2	ZINC001112591892	931823755	/nfs/dbraw/zinc/82/37/55/931823755.db2.gz	KUZAAKPKNQSDIO-LQPXBXSXSA-N	1	0	359.514	1.923	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)C1CCOCC1)C2	ZINC001112593563	931853067	/nfs/dbraw/zinc/85/30/67/931853067.db2.gz	VFMKOJAKPLFFHX-LMNJBCLMSA-N	1	0	362.514	1.917	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COC[C@H]1CCCO1)C2	ZINC001112592856	931876083	/nfs/dbraw/zinc/87/60/83/931876083.db2.gz	LMEYVRBPAHUVMJ-NSHGMRRFSA-N	1	0	364.486	1.050	20	30		FDEDRO
S=C(NC[C@H]1CCCO1)NN=C1CCOC[C@@H]1C[NH+]1CCCCC1	ZINC000787150278	932197565	/nfs/dbraw/zinc/19/75/65/932197565.db2.gz	LZKRTESGHMSTCR-LSDHHAIUSA-N	1	0	354.520	1.508	20	30		FDEDRO
FC(F)(F)CNC(=S)NN=C1CCOC[C@H]1C[NH+]1CCCCC1	ZINC000787153979	932199152	/nfs/dbraw/zinc/19/91/52/932199152.db2.gz	SNQVDRLSQRZSSZ-LLVKDONJSA-N	1	0	352.426	1.891	20	30		FDEDRO
C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1	ZINC000787608703	932336626	/nfs/dbraw/zinc/33/66/26/932336626.db2.gz	AKNQIPLCARTJSN-INIZCTEOSA-N	1	0	356.470	1.944	20	30		FDEDRO
N#Cc1ncc(Br)cc1N1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000787899315	932480415	/nfs/dbraw/zinc/48/04/15/932480415.db2.gz	UQCIOCSLQQPBFP-GFCCVEGCSA-N	1	0	351.248	1.874	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)NC[C@@H](C)[NH+]3CCCCC3)CC2)c1C#N	ZINC000788105206	932539874	/nfs/dbraw/zinc/53/98/74/932539874.db2.gz	NHLAPZZAFHHYQX-OAHLLOKOSA-N	1	0	373.505	1.306	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NCC[N@H+](C)C2CCCC2)n1	ZINC000788973424	932896015	/nfs/dbraw/zinc/89/60/15/932896015.db2.gz	DDZBEDDOGMSLDL-UHFFFAOYSA-N	1	0	361.490	1.549	20	30		FDEDRO
C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)C1	ZINC000746802537	932995552	/nfs/dbraw/zinc/99/55/52/932995552.db2.gz	DEUROFIZOMRAAV-MRXNPFEDSA-N	1	0	370.453	1.718	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)CC1	ZINC000789780917	933188699	/nfs/dbraw/zinc/18/86/99/933188699.db2.gz	KMERUKWZSBYBAE-MRXNPFEDSA-N	1	0	361.486	1.847	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn(CCOC)nn2)C1	ZINC001086587521	933553649	/nfs/dbraw/zinc/55/36/49/933553649.db2.gz	YQMFTUKPQIDPMO-ZWKOTPCHSA-N	1	0	367.453	1.146	20	30		FDEDRO
COc1ccc(CNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)cc1C#N	ZINC000746920005	933611623	/nfs/dbraw/zinc/61/16/23/933611623.db2.gz	CTMAQIMUUANJTE-UHFFFAOYSA-N	1	0	365.437	1.644	20	30		FDEDRO
C=CCCC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1	ZINC001113419305	933747390	/nfs/dbraw/zinc/74/73/90/933747390.db2.gz	PSWMGOOXDWSUOQ-PKOBYXMFSA-N	1	0	356.470	1.711	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+]Cc3ccc(S(=O)(=O)CCO)cc3)n2c1	ZINC000791007554	933820649	/nfs/dbraw/zinc/82/06/49/933820649.db2.gz	YPPBAQZRXSLKPJ-UHFFFAOYSA-N	1	0	370.434	1.262	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)CC(C)(C)CNc2cncc(C#N)n2)CC[N@@H+]1C	ZINC001113463181	933828664	/nfs/dbraw/zinc/82/86/64/933828664.db2.gz	GFLWVGQZBCSVIB-JKSUJKDBSA-N	1	0	358.490	1.975	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)CC(C)(C)CNc2ccnc(C#N)n2)CC[N@@H+]1C	ZINC001113463330	933829440	/nfs/dbraw/zinc/82/94/40/933829440.db2.gz	NZUVNFZKVIOYOD-LSDHHAIUSA-N	1	0	358.490	1.397	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CCC(C(N)=O)CC2)C1	ZINC001086596014	933926879	/nfs/dbraw/zinc/92/68/79/933926879.db2.gz	GMRUEXXOKIQVLV-GHBBCFCZSA-N	1	0	367.493	1.886	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000791300114	933945987	/nfs/dbraw/zinc/94/59/87/933945987.db2.gz	HHGRCVAPFCDIKK-FQEVSTJZSA-N	1	0	361.486	1.651	20	30		FDEDRO
CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1	ZINC001110093105	933986555	/nfs/dbraw/zinc/98/65/55/933986555.db2.gz	KPPZSTJFPCNYAI-SQNIBIBYSA-N	1	0	368.481	1.942	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCNC(=O)CC2)C1	ZINC001086601304	934124644	/nfs/dbraw/zinc/12/46/44/934124644.db2.gz	OQRQHYKUKKGNMZ-CEXWTWQISA-N	1	0	353.466	1.510	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1	ZINC000793846592	934288102	/nfs/dbraw/zinc/28/81/02/934288102.db2.gz	WLIMSIIYKZGWOJ-UHFFFAOYSA-N	1	0	354.248	1.259	20	30		FDEDRO
CCOC(=O)CN(CC[NH3+])c1cccc([C@H](C#N)C(=O)OC(C)(C)C)n1	ZINC001170992215	945072520	/nfs/dbraw/zinc/07/25/20/945072520.db2.gz	CFATZMNOHXRZRR-ZDUSSCGKSA-N	1	0	362.430	1.359	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)C[C@@H](CC)C(C)C)[C@@H](n2ccnn2)C1	ZINC001129397284	938402852	/nfs/dbraw/zinc/40/28/52/938402852.db2.gz	SIMBEJAZWHMUIJ-KURKYZTESA-N	1	0	363.506	1.895	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CCCc2cccs2)[C@@H](n2ccnn2)C1	ZINC001129428439	938414581	/nfs/dbraw/zinc/41/45/81/938414581.db2.gz	YFHQDFVHDQRMNN-SJORKVTESA-N	1	0	357.483	1.727	20	30		FDEDRO
CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129453774	938420906	/nfs/dbraw/zinc/42/09/06/938420906.db2.gz	IYLDXANOEZTIEL-QRQLOZEOSA-N	1	0	367.453	1.096	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)COc2ccc(C)cc2C)[C@@H](n2ccnn2)C1	ZINC001129433952	938424131	/nfs/dbraw/zinc/42/41/31/938424131.db2.gz	ZZXKFGGZHNXKFB-MSOLQXFVSA-N	1	0	367.453	1.339	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001129476494	938432345	/nfs/dbraw/zinc/43/23/45/938432345.db2.gz	JRQXWVQOZVMORL-QRQLOZEOSA-N	1	0	369.469	1.974	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc(N(C)C)ccn2)[C@@H](n2ccnn2)C1	ZINC001129480770	938433988	/nfs/dbraw/zinc/43/39/88/938433988.db2.gz	CRKYZTOOEXKURY-MSOLQXFVSA-N	1	0	369.473	1.361	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCCOC(C)C)C[C@@H]1n1ccnn1	ZINC001129481414	938434180	/nfs/dbraw/zinc/43/41/80/938434180.db2.gz	JTQFADLANXBPSY-ZACQAIPSSA-N	1	0	365.478	1.026	20	30		FDEDRO
CCC(=O)N1C[C@@H]([NH2+]CC#Cc2ccccc2Cl)[C@@H](n2ccnn2)C1	ZINC001129503232	938437586	/nfs/dbraw/zinc/43/75/86/938437586.db2.gz	OBRQBIUTHUBTIJ-SJORKVTESA-N	1	0	357.845	1.735	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)Cn2ccnc2)[C@@H](n2ccnn2)C1	ZINC001129490443	938442017	/nfs/dbraw/zinc/44/20/17/938442017.db2.gz	FSXQHAPQKARKOS-SJORKVTESA-N	1	0	359.478	1.487	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2cccc(F)c2)[C@@H](n2ccnn2)C1	ZINC001129496098	938444100	/nfs/dbraw/zinc/44/41/00/938444100.db2.gz	FDYPZHCVELORDO-IPELMVKDSA-N	1	0	369.444	1.661	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1	ZINC001086623191	938448812	/nfs/dbraw/zinc/44/88/12/938448812.db2.gz	PNCSYBBYYNKULD-DOTOQJQBSA-N	1	0	368.437	1.260	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2c(C)noc2C)C[C@@H]1n1ccnn1	ZINC001129556238	938452855	/nfs/dbraw/zinc/45/28/55/938452855.db2.gz	LONFXEIMUXCFDF-MAZHCROVSA-N	1	0	358.446	1.893	20	30		FDEDRO
CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@@H]1n1ccnn1	ZINC001129604019	938463198	/nfs/dbraw/zinc/46/31/98/938463198.db2.gz	UOAMWDFEQYJIIX-MSNYOWOLSA-N	1	0	362.503	1.623	20	30		FDEDRO
N#CCSCC(=O)N1C[C@@H]([NH2+]Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129608037	938464019	/nfs/dbraw/zinc/46/40/19/938464019.db2.gz	IKLSFFKBFFDHAM-CVEARBPZSA-N	1	0	356.455	1.077	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]Cc2sc(C)nc2C)[C@@H](n2ccnn2)C1	ZINC001129667437	938478542	/nfs/dbraw/zinc/47/85/42/938478542.db2.gz	VJNCYXRKJXZBNY-CABCVRRESA-N	1	0	360.487	1.859	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]C[C@H](OC)C2CCCC2)[C@@H](n2ccnn2)C1	ZINC001129670966	938479371	/nfs/dbraw/zinc/47/93/71/938479371.db2.gz	CJXQRCGXENJLFW-SQNIBIBYSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]([NH2+]Cc2ccccc2C)[C@@H](n2ccnn2)C1	ZINC001129681782	938484418	/nfs/dbraw/zinc/48/44/18/938484418.db2.gz	ZGVFGABKSQPIDM-MSOLQXFVSA-N	1	0	355.442	1.331	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2C)C[C@@H]1n1ccnn1	ZINC001129691217	938486434	/nfs/dbraw/zinc/48/64/34/938486434.db2.gz	RUIIEXRMJSIEHL-XYPHTWIQSA-N	1	0	357.462	1.330	20	30		FDEDRO
CCCOCC(=O)N1C[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@@H](n2ccnn2)C1	ZINC001129696109	938487439	/nfs/dbraw/zinc/48/74/39/938487439.db2.gz	NOLLEONHQYOGDV-MSOLQXFVSA-N	1	0	368.441	1.118	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2oc(C)nc2C)C[C@@H]1n1ccnn1	ZINC001129716746	938493042	/nfs/dbraw/zinc/49/30/42/938493042.db2.gz	AHEHBZJTIPYREC-WQVCFCJDSA-N	1	0	358.446	1.893	20	30		FDEDRO
C/C=C(\C)C(=O)N1C[C@@H]([NH2+]CC#Cc2ccc(F)cc2)[C@@H](n2ccnn2)C1	ZINC001129728697	938495634	/nfs/dbraw/zinc/49/56/34/938495634.db2.gz	VTUNRDQKZHBFII-HUEDMPJVSA-N	1	0	367.428	1.777	20	30		FDEDRO
CCCCCC[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1n1ccnn1	ZINC001129737626	938497527	/nfs/dbraw/zinc/49/75/27/938497527.db2.gz	RQEFPMYIRRKICT-SJORKVTESA-N	1	0	355.446	1.713	20	30		FDEDRO
CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1n1ccnn1	ZINC001129738077	938497808	/nfs/dbraw/zinc/49/78/08/938497808.db2.gz	ZMWVWTCWTLUZSM-KKSLTYSGSA-N	1	0	367.457	1.880	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)C2=CCOCC2)C[C@@H]1n1ccnn1	ZINC001129762233	938503340	/nfs/dbraw/zinc/50/33/40/938503340.db2.gz	JVEWRCLKBBIDKI-MSOLQXFVSA-N	1	0	359.474	1.713	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H]([NH2+]Cc2ccccc2C)[C@@H](n2ccnn2)C1	ZINC001129795831	938509260	/nfs/dbraw/zinc/50/92/60/938509260.db2.gz	QVZHUIVBYDYSGO-HBFSDRIKSA-N	1	0	369.469	1.455	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccnc2C(N)=O)C1	ZINC001086624936	938516251	/nfs/dbraw/zinc/51/62/51/938516251.db2.gz	BSGYFZBSLKOYOQ-DLBZAZTESA-N	1	0	350.422	1.564	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H]([NH2+]CCCc2ccsc2)[C@@H](n2ccnn2)C1	ZINC001129817365	938521382	/nfs/dbraw/zinc/52/13/82/938521382.db2.gz	YBMSCXFKNYMFRC-MSOLQXFVSA-N	1	0	369.494	1.727	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]Cc2scnc2C)[C@@H](n2ccnn2)C1	ZINC001129830187	938523928	/nfs/dbraw/zinc/52/39/28/938523928.db2.gz	XFSCFEYHGKRZLF-CABCVRRESA-N	1	0	358.471	1.388	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]([NH2+]CCC[C@@H](C)O)[C@@H](n2ccnn2)C1	ZINC001129866397	938525964	/nfs/dbraw/zinc/52/59/64/938525964.db2.gz	ATSLXVQOYBLDHO-YUELXQCFSA-N	1	0	369.897	1.559	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)[C@@H]1CCCO1	ZINC000804695995	938529604	/nfs/dbraw/zinc/52/96/04/938529604.db2.gz	AOTRZDRZJWQGLF-NJAFHUGGSA-N	1	0	371.481	1.529	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(Cl)c2C)C[C@@H]1n1ccnn1	ZINC001129857592	938529614	/nfs/dbraw/zinc/52/96/14/938529614.db2.gz	ATOAWBJCIJHLEE-SJORKVTESA-N	1	0	357.845	1.919	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]C[C@@H](OCC)C2CC2)[C@@H](n2ccnn2)C1	ZINC001129834340	938533611	/nfs/dbraw/zinc/53/36/11/938533611.db2.gz	VMQCEIFVQRVUSY-FGTMMUONSA-N	1	0	359.474	1.238	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2sc(C3CC3)nc2C)C[C@@H]1n1ccnn1	ZINC001129837789	938535053	/nfs/dbraw/zinc/53/50/53/938535053.db2.gz	LSHYMVSMBNUUQX-CABCVRRESA-N	1	0	370.482	1.599	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)COCc2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001129887590	938540189	/nfs/dbraw/zinc/54/01/89/938540189.db2.gz	GWETVFHUNBBZFG-MOPGFXCFSA-N	1	0	369.469	1.721	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C2(COC)CCCC2)C[C@@H]1n1ccnn1	ZINC001129887819	938540714	/nfs/dbraw/zinc/54/07/14/938540714.db2.gz	SJHGJTIVMCZYQS-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccnn2C(CC)CC)C[C@@H]1n1ccnn1	ZINC001129891973	938542344	/nfs/dbraw/zinc/54/23/44/938542344.db2.gz	AYUODXLNMILWAF-AEFFLSMTSA-N	1	0	369.473	1.514	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C(C)C)nc2)C[C@@H]1n1ccnn1	ZINC001129892203	938542943	/nfs/dbraw/zinc/54/29/43/938542943.db2.gz	MCHISQOUEWGDPL-MSOLQXFVSA-N	1	0	352.442	1.475	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C2(COC)CCCC2)C[C@@H]1n1ccnn1	ZINC001129892371	938543198	/nfs/dbraw/zinc/54/31/98/938543198.db2.gz	UIHMYTHFCGHZAQ-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cnc(C)o2)C[C@@H]1n1ccnn1	ZINC001129892470	938543510	/nfs/dbraw/zinc/54/35/10/938543510.db2.gz	YUHCIXRCZZQDDZ-XKQJLSEDSA-N	1	0	358.446	1.513	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)nn2C)C[C@@H]1n1ccnn1	ZINC001129876788	938547136	/nfs/dbraw/zinc/54/71/36/938547136.db2.gz	ZNWSJFZKAXTUJK-AEFFLSMTSA-N	1	0	369.473	1.511	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc3oc(C)nc3c2)C[C@@H]1n1ccnn1	ZINC001129906795	938548832	/nfs/dbraw/zinc/54/88/32/938548832.db2.gz	AIWCUOOVKPLVCV-SJORKVTESA-N	1	0	364.409	1.406	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2ccncc2)C[C@@H]1n1ccnn1	ZINC001129910420	938549933	/nfs/dbraw/zinc/54/99/33/938549933.db2.gz	SEOJNRCBWCOAKR-NXHRZFHOSA-N	1	0	352.442	1.232	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc3cccn3cn2)C[C@@H]1n1ccnn1	ZINC001129912403	938551296	/nfs/dbraw/zinc/55/12/96/938551296.db2.gz	DAORNRDJRDTJTE-MSOLQXFVSA-N	1	0	365.441	1.547	20	30		FDEDRO
CCC(CC)[C@H](C)C(=O)N1C[C@@H]([NH2+]CC#CCOC)[C@@H](n2ccnn2)C1	ZINC001129917556	938554400	/nfs/dbraw/zinc/55/44/00/938554400.db2.gz	WNBMACZWNTWQDM-JQHSSLGASA-N	1	0	361.490	1.342	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H]([NH2+]C[C@@H]3CCCOC3)[C@@H](n3ccnn3)C2)CCC1	ZINC001129894349	938555519	/nfs/dbraw/zinc/55/55/19/938555519.db2.gz	BXPTUAREDXMUDY-KSZLIROESA-N	1	0	371.485	1.240	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH]c(=O)[nH]c32)C[C@@H]1n1ccnn1	ZINC001129896401	938557601	/nfs/dbraw/zinc/55/76/01/938557601.db2.gz	YIYJXRKIOLLFRX-CABCVRRESA-N	1	0	367.413	1.091	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cncc(Cl)c2C)C[C@@H]1n1ccnn1	ZINC001129899915	938559470	/nfs/dbraw/zinc/55/94/70/938559470.db2.gz	RVDKZEMCSPFINK-CVEARBPZSA-N	1	0	358.833	1.314	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)c(F)c2)C[C@@H]1n1ccnn1	ZINC001129899790	938559492	/nfs/dbraw/zinc/55/94/92/938559492.db2.gz	LTJGRJDNFPBAOO-CVEARBPZSA-N	1	0	359.405	1.657	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ncc3ccccn32)C[C@@H]1n1ccnn1	ZINC001129934046	938563162	/nfs/dbraw/zinc/56/31/62/938563162.db2.gz	MDKJCGXWJMQBGU-CVEARBPZSA-N	1	0	351.414	1.157	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2cc(CC)nn2C)C[C@@H]1n1ccnn1	ZINC001129939865	938565736	/nfs/dbraw/zinc/56/57/36/938565736.db2.gz	ZTTRQDBBOCAWKM-MSOLQXFVSA-N	1	0	371.489	1.124	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C[C@@H]1n1ccnn1	ZINC001129941073	938566372	/nfs/dbraw/zinc/56/63/72/938566372.db2.gz	INRLYMCOCNISCM-FQBWVUSXSA-N	1	0	371.485	1.096	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2CCC)C[C@@H]1n1ccnn1	ZINC001129918584	938567236	/nfs/dbraw/zinc/56/72/36/938567236.db2.gz	FOXBJCKIRFGKSC-SJORKVTESA-N	1	0	357.462	1.575	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)ccnc2OCC)C[C@@H]1n1ccnn1	ZINC001129943185	938569751	/nfs/dbraw/zinc/56/97/51/938569751.db2.gz	QBDBBALOXOISSA-CVEARBPZSA-N	1	0	368.441	1.059	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(CC)nnc2C)C[C@@H]1n1ccnn1	ZINC001129942905	938570842	/nfs/dbraw/zinc/57/08/42/938570842.db2.gz	HUKSRGQGBRJWOB-MSOLQXFVSA-N	1	0	369.473	1.560	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)c(OC)c2)C[C@@H]1n1ccnn1	ZINC001129928909	938572571	/nfs/dbraw/zinc/57/25/71/938572571.db2.gz	UUGWNSOHZOHBME-SJORKVTESA-N	1	0	353.426	1.274	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]C[C@H](C)CC)[C@@H](n3ccnn3)C2)cc1	ZINC001129952299	938575375	/nfs/dbraw/zinc/57/53/75/938575375.db2.gz	NLXRILNHVJVALC-LZQZEXGQSA-N	1	0	351.454	1.961	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]CCOC(C)C)[C@@H](n3ccnn3)C2)cc1	ZINC001129954255	938576316	/nfs/dbraw/zinc/57/63/16/938576316.db2.gz	FBDAXWVPPCGULG-MOPGFXCFSA-N	1	0	367.453	1.340	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2(C3CC3)CCC2)C[C@@H]1n1ccnn1	ZINC001129945756	938581068	/nfs/dbraw/zinc/58/10/68/938581068.db2.gz	VTVLZZAGDURWNQ-SJORKVTESA-N	1	0	359.474	1.403	20	30		FDEDRO
CCS(=O)(=O)N(c1nc(Cl)c(C#N)cc1C#N)C1CC[NH2+]CC1	ZINC001157895332	938590987	/nfs/dbraw/zinc/59/09/87/938590987.db2.gz	ZSTYVISJDIQCFD-UHFFFAOYSA-N	1	0	353.835	1.386	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H]([NH2+]Cc2cnccc2C)[C@@H](n2ccnn2)C1	ZINC001129972616	938591287	/nfs/dbraw/zinc/59/12/87/938591287.db2.gz	FJWLHULVRLJUEH-MOPGFXCFSA-N	1	0	366.469	1.717	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(F)c(F)cc2F)C[C@@H]1n1ccnn1	ZINC001129983220	938598042	/nfs/dbraw/zinc/59/80/42/938598042.db2.gz	RYMRQOLAZIGOMK-CVEARBPZSA-N	1	0	363.343	1.374	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ocnc2CC)C[C@@H]1n1ccnn1	ZINC001129997460	938605644	/nfs/dbraw/zinc/60/56/44/938605644.db2.gz	NLIKAZGWBOLKGZ-BMFZPTHFSA-N	1	0	358.446	1.839	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H]([NH2+]C[C@H](CC)OC)[C@@H](n3ccnn3)C2)CC1	ZINC001129999111	938606506	/nfs/dbraw/zinc/60/65/06/938606506.db2.gz	LASLXAIJVAECEO-BBWFWOEESA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H]([NH2+]CCOCC=C)[C@@H](n3ccnn3)C2)CC1	ZINC001129999349	938606919	/nfs/dbraw/zinc/60/69/19/938606919.db2.gz	XVVDOWIIRQGGRS-SJORKVTESA-N	1	0	359.474	1.569	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)CC1	ZINC000804889440	938609457	/nfs/dbraw/zinc/60/94/57/938609457.db2.gz	BSRBRIHXRVMGKB-QGZVFWFLSA-N	1	0	361.873	1.690	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(F)c(Cl)c2)C[C@@H]1n1ccnn1	ZINC001129987063	938610372	/nfs/dbraw/zinc/61/03/72/938610372.db2.gz	WHNZPUPDPWRQPA-CVEARBPZSA-N	1	0	361.808	1.749	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)nc2)[C@@H](n2ccnn2)C1	ZINC001129986955	938610396	/nfs/dbraw/zinc/61/03/96/938610396.db2.gz	RTFOSWVWWOBZKN-SJORKVTESA-N	1	0	370.457	1.580	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(-c3ccco3)n[nH]2)C[C@@H]1n1ccnn1	ZINC001130015331	938616833	/nfs/dbraw/zinc/61/68/33/938616833.db2.gz	RWMNOGOXGMACIA-CVEARBPZSA-N	1	0	367.413	1.493	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2ccc(C)n2)C[C@@H]1n1ccnn1	ZINC001130007693	938625280	/nfs/dbraw/zinc/62/52/80/938625280.db2.gz	RBNJSYYRAFDFID-OIISXLGYSA-N	1	0	357.462	1.179	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C)C(C)(F)F)C[C@@H]1n1ccnn1	ZINC001130009329	938626171	/nfs/dbraw/zinc/62/61/71/938626171.db2.gz	JOYASKJPADSCAP-MJBXVCDLSA-N	1	0	357.405	1.114	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130030455	938631921	/nfs/dbraw/zinc/63/19/21/938631921.db2.gz	BBDCCWQYZZSYAH-HCXYKTFWSA-N	1	0	351.454	1.999	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2F)C[C@@H]1n1ccnn1	ZINC001130034623	938635006	/nfs/dbraw/zinc/63/50/06/938635006.db2.gz	UYUXHLXHMRYXFJ-ISARSNTHSA-N	1	0	367.428	1.586	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)C[C@@H]1n1ccnn1	ZINC001130034822	938635043	/nfs/dbraw/zinc/63/50/43/938635043.db2.gz	ZBFRPCVAADWMKQ-PXTPFGJHSA-N	1	0	363.465	1.782	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)C[C@@H](C)O3)C[C@@H]1n1ccnn1	ZINC001130038263	938636373	/nfs/dbraw/zinc/63/63/73/938636373.db2.gz	VESVECVXUZOZLS-OLMNPRSZSA-N	1	0	365.437	1.280	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3ccccc3O2)C[C@@H]1n1ccnn1	ZINC001130054409	938639711	/nfs/dbraw/zinc/63/97/11/938639711.db2.gz	BKPILQNUWIWZEO-ZIFCJYIRSA-N	1	0	365.437	1.037	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2nc(C)oc2C)C[C@@H]1n1ccnn1	ZINC001130054774	938639870	/nfs/dbraw/zinc/63/98/70/938639870.db2.gz	ORGOFGCKEVAWQU-MAZHCROVSA-N	1	0	358.446	1.893	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2ncccn2)C[C@@H]1n1ccnn1	ZINC001130047763	938647203	/nfs/dbraw/zinc/64/72/03/938647203.db2.gz	RMKSYLXJPTYECZ-CVEARBPZSA-N	1	0	355.446	1.009	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ncsc2C(C)C)C[C@@H]1n1ccnn1	ZINC001130081188	938662243	/nfs/dbraw/zinc/66/22/43/938662243.db2.gz	CKCNYOFKAJNAKP-KGLIPLIRSA-N	1	0	358.471	1.537	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc3nccn3c2)C[C@@H]1n1ccnn1	ZINC001130084041	938665588	/nfs/dbraw/zinc/66/55/88/938665588.db2.gz	WOKQJVBOACWJFO-SJORKVTESA-N	1	0	365.441	1.547	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnn(CC3CC3)c2)C[C@@H]1n1ccnn1	ZINC001130077493	938670643	/nfs/dbraw/zinc/67/06/43/938670643.db2.gz	LDPXEECTAQUTLC-MSOLQXFVSA-N	1	0	369.473	1.506	20	30		FDEDRO
CC[C@@H](CC(C)C)C(=O)N1C[C@@H]([NH2+]CC#CCOC)[C@@H](n2ccnn2)C1	ZINC001130089087	938675581	/nfs/dbraw/zinc/67/55/81/938675581.db2.gz	XRYBNVXLLONWOV-KSZLIROESA-N	1	0	361.490	1.342	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]CCC(C)C)[C@@H](n3ccnn3)C2)cn1	ZINC001130091447	938676702	/nfs/dbraw/zinc/67/67/02/938676702.db2.gz	UISRHTDKQFDKCW-MSOLQXFVSA-N	1	0	352.442	1.356	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1n1ccnn1	ZINC001130096818	938681247	/nfs/dbraw/zinc/68/12/47/938681247.db2.gz	SMIMQIUGQSVVDZ-CABCVRRESA-N	1	0	354.886	1.104	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(F)cccc2Cl)C[C@@H]1n1ccnn1	ZINC001130100060	938682832	/nfs/dbraw/zinc/68/28/32/938682832.db2.gz	XADCRTHGZPBNDJ-CABCVRRESA-N	1	0	361.808	1.749	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)cc2)C[C@@H]1n1ccnn1	ZINC001130102193	938684092	/nfs/dbraw/zinc/68/40/92/938684092.db2.gz	MITRFCGEFAXEQA-MOPGFXCFSA-N	1	0	368.485	1.966	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2OCc3ccccc32)C[C@@H]1n1ccnn1	ZINC001130107678	938687578	/nfs/dbraw/zinc/68/75/78/938687578.db2.gz	VGYWVFCWBSKEKW-CEXWTWQISA-N	1	0	365.437	1.305	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(OCC)cc2)C[C@@H]1n1ccnn1	ZINC001130110066	938689009	/nfs/dbraw/zinc/68/90/09/938689009.db2.gz	SDMZNWXTZJPAMT-MSOLQXFVSA-N	1	0	355.442	1.908	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COc2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001130112536	938692155	/nfs/dbraw/zinc/69/21/55/938692155.db2.gz	FGCKKMVPTCTACK-MSOLQXFVSA-N	1	0	355.442	1.583	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2ccccc2F)C[C@@H]1n1ccnn1	ZINC001130112618	938692345	/nfs/dbraw/zinc/69/23/45/938692345.db2.gz	JDHGWWSLYZBVMD-MSOLQXFVSA-N	1	0	357.433	1.968	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3c2CCCCC3)C[C@@H]1n1ccnn1	ZINC001130125415	938696355	/nfs/dbraw/zinc/69/63/55/938696355.db2.gz	MXUZJUFBQQLPAR-SJORKVTESA-N	1	0	369.473	1.502	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2nc(C)c(C)s2)C[C@@H]1n1ccnn1	ZINC001130127856	938697521	/nfs/dbraw/zinc/69/75/21/938697521.db2.gz	LWXUEIFJIQLKFT-CABCVRRESA-N	1	0	360.487	1.973	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001130118439	938701418	/nfs/dbraw/zinc/70/14/18/938701418.db2.gz	FJTJLODWJHOMHX-QGTPRVQTSA-N	1	0	371.416	1.250	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3c2cccc3Cl)C[C@@H]1n1ccnn1	ZINC001130145800	938706150	/nfs/dbraw/zinc/70/61/50/938706150.db2.gz	BTAPSEQWQARNGS-JQHSSLGASA-N	1	0	369.856	1.636	20	30		FDEDRO
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1	ZINC000805304635	938707000	/nfs/dbraw/zinc/70/70/00/938707000.db2.gz	RFOOLERIXHWVTN-QUCCMNQESA-N	1	0	356.514	1.946	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3cccc(F)c3o2)C[C@@H]1n1ccnn1	ZINC001130132821	938707760	/nfs/dbraw/zinc/70/77/60/938707760.db2.gz	REDRLJZHAYZOLZ-CVEARBPZSA-N	1	0	367.384	1.842	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)CC)cc2)C[C@@H]1n1ccnn1	ZINC001130155369	938718412	/nfs/dbraw/zinc/71/84/12/938718412.db2.gz	CLQLWPFRVHCGTC-MOPGFXCFSA-N	1	0	368.485	1.966	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3n(c2)CCCC3)C[C@@H]1n1ccnn1	ZINC001130158256	938719447	/nfs/dbraw/zinc/71/94/47/938719447.db2.gz	ACKZZNITWUDGLJ-MSOLQXFVSA-N	1	0	352.442	1.095	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ncccc2OCC)C[C@@H]1n1ccnn1	ZINC001130160931	938721484	/nfs/dbraw/zinc/72/14/84/938721484.db2.gz	ISWCGEUOESMYCJ-CVEARBPZSA-N	1	0	370.457	1.693	20	30		FDEDRO
C#C[C@H](CC)NC(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000805348661	938721748	/nfs/dbraw/zinc/72/17/48/938721748.db2.gz	WPCPELHZPWRREZ-WOJBJXKFSA-N	1	0	354.498	2.000	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](OCC)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130148405	938722674	/nfs/dbraw/zinc/72/26/74/938722674.db2.gz	PBCUFPUOVUDPJX-FGTMMUONSA-N	1	0	355.442	1.583	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(C)o2)n1	ZINC001130181772	938728991	/nfs/dbraw/zinc/72/89/91/938728991.db2.gz	UYTGLPXGJCWLRJ-ZFWWWQNUSA-N	1	0	357.414	1.122	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(Cl)c[nH]2)[nH]1	ZINC001130187237	938733062	/nfs/dbraw/zinc/73/30/62/938733062.db2.gz	XHLWLZIQUNVVHE-AAEUAGOBSA-N	1	0	364.837	1.364	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H]2C=CCC2)[nH]1	ZINC001130187643	938733652	/nfs/dbraw/zinc/73/36/52/938733652.db2.gz	BDZDIXCOZZSRGH-PMPSAXMXSA-N	1	0	359.474	1.815	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H](C)OC)[nH]1	ZINC001130193120	938737752	/nfs/dbraw/zinc/73/77/52/938737752.db2.gz	JMIMSDLDMFAFFN-ILXRZTDVSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(F)=C(C)C)n1	ZINC001130198382	938740178	/nfs/dbraw/zinc/74/01/78/938740178.db2.gz	ISYMECJDJRTRPL-RYUDHWBXSA-N	1	0	371.844	1.899	20	30		FDEDRO
C=CCOCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCC(=C)C)[nH]1	ZINC001130203055	938744948	/nfs/dbraw/zinc/74/49/48/938744948.db2.gz	QRWRUIXIRHOXOK-GJZGRUSLSA-N	1	0	363.462	1.052	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC2(F)F)[nH]1	ZINC001130207965	938747193	/nfs/dbraw/zinc/74/71/93/938747193.db2.gz	YGRBRDDILUWHLE-XQQFMLRXSA-N	1	0	369.416	1.504	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C)cs2)n1	ZINC001130207864	938747291	/nfs/dbraw/zinc/74/72/91/938747291.db2.gz	SZXZZQYULOODSA-STQMWFEESA-N	1	0	359.455	1.200	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCC2(F)F)[nH]1	ZINC001130220546	938749568	/nfs/dbraw/zinc/74/95/68/938749568.db2.gz	CIGYUKOMQHAGTC-AVGNSLFASA-N	1	0	369.416	1.504	20	30		FDEDRO
CC[C@H](F)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C#CC(C)C)[nH]1	ZINC001130213062	938750067	/nfs/dbraw/zinc/75/00/67/938750067.db2.gz	RPGGHUVNXMWNHO-KKUMJFAQSA-N	1	0	365.453	1.291	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2C=CC=CC=C2)[nH]1	ZINC001130216489	938753044	/nfs/dbraw/zinc/75/30/44/938753044.db2.gz	YQOWSVZXKYOPSI-IRXDYDNUSA-N	1	0	369.469	1.758	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC2(C)C)[nH]1	ZINC001130200872	938754549	/nfs/dbraw/zinc/75/45/49/938754549.db2.gz	YXGJWHDBCJHSET-ZNMIVQPWSA-N	1	0	361.490	1.895	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2ccc(C)o2)[nH]1	ZINC001130203029	938755428	/nfs/dbraw/zinc/75/54/28/938755428.db2.gz	QABVRYIJUVDVIT-GJZGRUSLSA-N	1	0	359.430	1.213	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CCC3(CC3)CC2)n1	ZINC001130224884	938758853	/nfs/dbraw/zinc/75/88/53/938758853.db2.gz	HPPCUDPBMVIFBV-HOTGVXAUSA-N	1	0	371.485	1.487	20	30		FDEDRO
C=CC(C)(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCF)[nH]1	ZINC001130227671	938761493	/nfs/dbraw/zinc/76/14/93/938761493.db2.gz	JSLGNKUBDNFTPL-STQMWFEESA-N	1	0	353.442	1.455	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C3CC3)CCC2)[nH]1	ZINC001130229705	938763045	/nfs/dbraw/zinc/76/30/45/938763045.db2.gz	AQWNCLFVRACUOA-GJZGRUSLSA-N	1	0	359.474	1.649	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCCF)n1	ZINC001130229781	938763329	/nfs/dbraw/zinc/76/33/29/938763329.db2.gz	FQMKEKKZRQWZJR-RYUDHWBXSA-N	1	0	359.833	1.385	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(C)CCCCC2)n1	ZINC001130234622	938765995	/nfs/dbraw/zinc/76/59/95/938765995.db2.gz	FCOBUPFGYBUDNY-GJZGRUSLSA-N	1	0	359.474	1.487	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)C(F)F)[nH]1	ZINC001130234570	938766011	/nfs/dbraw/zinc/76/60/11/938766011.db2.gz	AXDOAIZEGGUUIC-RYUDHWBXSA-N	1	0	371.432	1.750	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2Cc3ccccc32)[nH]1	ZINC001130237714	938767116	/nfs/dbraw/zinc/76/71/16/938767116.db2.gz	BBFBVGGINIIBDS-BBWFWOEESA-N	1	0	367.453	1.409	20	30		FDEDRO
C=CCC(C)(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1	ZINC001130240502	938768505	/nfs/dbraw/zinc/76/85/05/938768505.db2.gz	RVKLRNDLDXYVBL-STQMWFEESA-N	1	0	353.442	1.455	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)CC(C)(C)C)n1	ZINC001130242240	938769501	/nfs/dbraw/zinc/76/95/01/938769501.db2.gz	NPEJTOVQOZHESO-KKUMJFAQSA-N	1	0	361.490	1.589	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](CCC)C(C)C)n1	ZINC001130242287	938769725	/nfs/dbraw/zinc/76/97/25/938769725.db2.gz	PNSOHRWSNLCFNX-JYJNAYRXSA-N	1	0	361.490	1.589	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C2CC2)C2CC2)[nH]1	ZINC001130246027	938771532	/nfs/dbraw/zinc/77/15/32/938771532.db2.gz	BHFPQSISBYTWMT-HOTGVXAUSA-N	1	0	371.485	1.343	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H](CC)C(C)C)n1	ZINC001130246700	938772169	/nfs/dbraw/zinc/77/21/69/938772169.db2.gz	NCOWQOTWQHHZRK-PMPSAXMXSA-N	1	0	361.490	1.589	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H](C)C2CC2)n1	ZINC001130251301	938774462	/nfs/dbraw/zinc/77/44/62/938774462.db2.gz	MAYRWQCNSMFCIJ-KBMXLJTQSA-N	1	0	359.474	1.343	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](Cc2ccccn2)CC1	ZINC001130282388	938780013	/nfs/dbraw/zinc/78/00/13/938780013.db2.gz	UHWBUFJEHWTCSP-YJLNNSPDSA-N	1	0	369.469	1.217	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CO[C@H](C)CC)CC1	ZINC001130282585	938780107	/nfs/dbraw/zinc/78/01/07/938780107.db2.gz	XMGDHKAPJBBGOX-OGWOLHLISA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CCCO2)CC1	ZINC001130269468	938784310	/nfs/dbraw/zinc/78/43/10/938784310.db2.gz	QZGAHQNOBGDCAG-AOIWGVFYSA-N	1	0	363.502	1.607	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CSCCC)CC1	ZINC001130274596	938787042	/nfs/dbraw/zinc/78/70/42/938787042.db2.gz	VQWPYVLTKNBCIB-QAPCUYQASA-N	1	0	351.516	1.238	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@H](C)CC)CC1	ZINC001130278892	938789010	/nfs/dbraw/zinc/78/90/10/938789010.db2.gz	JDVKTHVRABIRQF-MDYRTPRTSA-N	1	0	365.518	1.711	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC(=C)C)CC1	ZINC001130290640	938795083	/nfs/dbraw/zinc/79/50/83/938795083.db2.gz	ISGQOUZATGAMOI-SUMDDJOVSA-N	1	0	361.486	1.076	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1	ZINC001130293256	938796703	/nfs/dbraw/zinc/79/67/03/938796703.db2.gz	PHTOQNHGJKEPKA-ZBFHGGJFSA-N	1	0	371.909	1.233	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](CCC)OCC)CC1	ZINC001130295842	938798221	/nfs/dbraw/zinc/79/82/21/938798221.db2.gz	VEBGMAIBAJTVRV-LMMKCTJWSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@@H](C)O)CC1	ZINC001130305375	938803729	/nfs/dbraw/zinc/80/37/29/938803729.db2.gz	WXAQUVLLNNQMPG-KYJSFNMBSA-N	1	0	365.518	1.445	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@@H](C)COC)CC1	ZINC001130305431	938803937	/nfs/dbraw/zinc/80/39/37/938803937.db2.gz	ZUWGCBWJKJTPRD-MDYRTPRTSA-N	1	0	365.518	1.711	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COc2ccccc2)CC1	ZINC001130307484	938805134	/nfs/dbraw/zinc/80/51/34/938805134.db2.gz	RQEHRBUBUQCCSW-NQIIRXRSSA-N	1	0	369.465	1.174	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC(=C)C)CC1	ZINC001130312972	938807473	/nfs/dbraw/zinc/80/74/73/938807473.db2.gz	HEFWESIZXAGQMJ-SUMDDJOVSA-N	1	0	363.502	1.629	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)OCC=C)CC1	ZINC001130313175	938807788	/nfs/dbraw/zinc/80/77/88/938807788.db2.gz	OJUQEBGBQMQSSZ-WDYCEAGBSA-N	1	0	363.502	1.629	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1)c1ccncc1	ZINC000805806178	938829997	/nfs/dbraw/zinc/82/99/97/938829997.db2.gz	JZXOURRWGILOKW-SJLPKXTDSA-N	1	0	358.486	1.909	20	30		FDEDRO
C=CCOCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CC[C@@H](C)O2)C1	ZINC001130422913	938843972	/nfs/dbraw/zinc/84/39/72/938843972.db2.gz	CUWRUGNTELMJPR-HLLBOEOZSA-N	1	0	362.474	1.585	20	30		FDEDRO
C=CCCC[NH+]1CC2(C1)CN(C(=O)[C@]13C[C@H]1COC3)C[C@H]2c1nnc(C)[nH]1	ZINC001130466486	938858006	/nfs/dbraw/zinc/85/80/06/938858006.db2.gz	ZCAMTGBLOJUNEW-FTRWYGJKSA-N	1	0	371.485	1.344	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnns2)C[C@H]1c1cn(C)cn1	ZINC001130509856	938888936	/nfs/dbraw/zinc/88/89/36/938888936.db2.gz	SPNJSJCMRQGRGL-VNHYZAJKSA-N	1	0	360.487	1.824	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccnn2C)C1	ZINC001130578611	939891406	/nfs/dbraw/zinc/89/14/06/939891406.db2.gz	VTTGMDNTANADRU-FUHWJXTLSA-N	1	0	354.458	1.041	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3n[nH]cc32)C[C@H]1c1cn(C)cn1	ZINC001130590147	939896059	/nfs/dbraw/zinc/89/60/59/939896059.db2.gz	BLGAGIAWMYIQKV-URLQWDBASA-N	1	0	366.469	1.171	20	30		FDEDRO
Cc1oncc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1c1cn(C)cn1	ZINC001130594773	939902164	/nfs/dbraw/zinc/90/21/64/939902164.db2.gz	YMFPOHBCUHZMAA-FUHWJXTLSA-N	1	0	369.469	1.850	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3occc3[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130599575	939904948	/nfs/dbraw/zinc/90/49/48/939904948.db2.gz	VFBUQEDFMZADLS-SUMWQHHRSA-N	1	0	351.410	1.716	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccnn2CC(C)C)C[C@H]1c1cn(C)cn1	ZINC001130599428	939905036	/nfs/dbraw/zinc/90/50/36/939905036.db2.gz	STKXJCUPLJFYGV-FUHWJXTLSA-N	1	0	368.485	1.494	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccnn2C(F)F)C[C@H]1c1cn(C)cn1	ZINC001130602568	939914049	/nfs/dbraw/zinc/91/40/49/939914049.db2.gz	IWTZEMCXJFAQJR-GXTWGEPZSA-N	1	0	362.384	1.233	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(C)nnn2CC)C[C@H]1c1cn(C)cn1	ZINC001130607480	939919070	/nfs/dbraw/zinc/91/90/70/939919070.db2.gz	CSRYRAZILFZUOW-GOEBONIOSA-N	1	0	357.462	1.114	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@]23CCC[C@H]2OCC3)C[C@H]1c1cn(C)cn1	ZINC001130624353	939922231	/nfs/dbraw/zinc/92/22/31/939922231.db2.gz	RPRMGWOYEFCDFH-MMTROXRISA-N	1	0	358.486	1.839	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2snnc2CC)C[C@H]1c1cn(C)cn1	ZINC001130624384	939922271	/nfs/dbraw/zinc/92/22/71/939922271.db2.gz	UEODFTBBVPCCID-SWLSCSKDSA-N	1	0	360.487	1.608	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)Cc2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130617014	939928545	/nfs/dbraw/zinc/92/85/45/939928545.db2.gz	ONPDRJPRZFCKII-AZUAARDMSA-N	1	0	368.481	1.749	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2cncc(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130632654	939936019	/nfs/dbraw/zinc/93/60/19/939936019.db2.gz	LNAMCAYRPHJQEI-PKOBYXMFSA-N	1	0	353.470	1.826	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC2CC2)C1	ZINC001130637771	939939956	/nfs/dbraw/zinc/93/99/56/939939956.db2.gz	LALNQIUPOHNWRA-HQRMLTQVSA-N	1	0	360.502	1.943	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc[nH]c2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130654357	939948232	/nfs/dbraw/zinc/94/82/32/939948232.db2.gz	HCGZHPRAHCNWHF-FUHWJXTLSA-N	1	0	351.454	1.847	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cc(C)no2)C1	ZINC001130644068	939952478	/nfs/dbraw/zinc/95/24/78/939952478.db2.gz	FQYRIKMZIYYPHK-PKOBYXMFSA-N	1	0	369.469	1.994	20	30		FDEDRO
C=C/C(C)=C/CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#CCOC)C1	ZINC001130646814	939955046	/nfs/dbraw/zinc/95/50/46/939955046.db2.gz	KSGANODRXZPNPN-ZWAJWSPZSA-N	1	0	356.470	1.476	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(=O)NCCC)C1	ZINC001130664384	939957466	/nfs/dbraw/zinc/95/74/66/939957466.db2.gz	QKBDUOIGRMURNO-DOTOQJQBSA-N	1	0	361.490	1.187	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3nonc3c2)C[C@H]1c1cn(C)cn1	ZINC001130659852	939965921	/nfs/dbraw/zinc/96/59/21/939965921.db2.gz	XGPDYJCYBDUNMP-KBXCAEBGSA-N	1	0	366.425	1.730	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC=C(C)C)C1	ZINC001130680279	939968714	/nfs/dbraw/zinc/96/87/14/939968714.db2.gz	HQOAWVVULLNUFA-JFRXWTBNSA-N	1	0	358.486	1.861	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C(C)(F)F)C[C@H]1c1cn(C)cn1	ZINC001130675120	939973049	/nfs/dbraw/zinc/97/30/49/939973049.db2.gz	NJEZJNWYKYBLRT-IJEWVQPXSA-N	1	0	368.428	1.245	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2ccc(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130675584	939973398	/nfs/dbraw/zinc/97/33/98/939973398.db2.gz	WZNQAYQXFYSGNY-VDZJLULYSA-N	1	0	370.501	1.864	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCn2cncn2)C1	ZINC001130685301	939975246	/nfs/dbraw/zinc/97/52/46/939975246.db2.gz	NBQSLRNQXVUCDT-DOTOQJQBSA-N	1	0	371.489	1.198	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc(OC)c2C)C[C@H]1c1cn(C)cn1	ZINC001130685515	939975794	/nfs/dbraw/zinc/97/57/94/939975794.db2.gz	WQQDHPQRSJOQQJ-PKOBYXMFSA-N	1	0	366.465	1.958	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]cn2)C[C@H]1c1cn(C)cn1	ZINC001130689562	939979644	/nfs/dbraw/zinc/97/96/44/939979644.db2.gz	CQSYUAKZGCPECD-UWWQBHOKSA-N	1	0	356.474	1.482	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2oc(C3CC3)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130689848	939979985	/nfs/dbraw/zinc/97/99/85/939979985.db2.gz	PAPQJUZWMDVXBE-DOTOQJQBSA-N	1	0	367.453	1.815	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2scnc2C)C[C@H]1c1cn(C)cn1	ZINC001130706692	939988706	/nfs/dbraw/zinc/98/87/06/939988706.db2.gz	TUJVRVGYGXVIJM-DOTOQJQBSA-N	1	0	371.510	1.725	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)CC(F)(F)F)C[C@H]1c1cn(C)cn1	ZINC001130715467	940008093	/nfs/dbraw/zinc/00/80/93/940008093.db2.gz	ZXUXDIPDKVGTIZ-KCQAQPDRSA-N	1	0	356.392	1.916	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1c1cn(C)cn1	ZINC001130719321	940022648	/nfs/dbraw/zinc/02/26/48/940022648.db2.gz	JMLHBAJKBZHUHC-GOEBONIOSA-N	1	0	353.898	1.398	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130721613	940025727	/nfs/dbraw/zinc/02/57/27/940025727.db2.gz	KRXZSUCWPMVRLR-XKGZKEIXSA-N	1	0	366.465	1.795	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130733942	940034143	/nfs/dbraw/zinc/03/41/43/940034143.db2.gz	BRKHHAWSZWUNSX-PKOBYXMFSA-N	1	0	351.454	1.653	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CC(F)(F)C(F)(F)F)C[C@H]1c1cn(C)cn1	ZINC001130739889	940042099	/nfs/dbraw/zinc/04/20/99/940042099.db2.gz	TZXIRXMLPPMODT-CMPLNLGQSA-N	1	0	364.318	1.525	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(C)s3)n2)O1	ZINC001130746334	940051083	/nfs/dbraw/zinc/05/10/83/940051083.db2.gz	CBXIWAHVAAYJIX-QWHCGFSZSA-N	1	0	359.455	1.548	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCCO3)n2)O1	ZINC001130753102	940061675	/nfs/dbraw/zinc/06/16/75/940061675.db2.gz	QSYIHPHKIMRVRF-XQQFMLRXSA-N	1	0	369.853	1.162	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccnc(F)c3)n2)O1	ZINC001130761598	940067203	/nfs/dbraw/zinc/06/72/03/940067203.db2.gz	CGYBXXQILOPJCP-QWHCGFSZSA-N	1	0	360.393	1.265	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCOC3)n2)O1	ZINC001130762051	940069048	/nfs/dbraw/zinc/06/90/48/940069048.db2.gz	NEVYPGWHEGJTNE-QLFBSQMISA-N	1	0	363.462	1.233	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cccc(C)c3)n2)O1	ZINC001130756453	940078672	/nfs/dbraw/zinc/07/86/72/940078672.db2.gz	HVHYRUJMMUQABE-DLBZAZTESA-N	1	0	367.453	1.876	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COCC)n2)O1	ZINC001130756763	940080120	/nfs/dbraw/zinc/08/01/20/940080120.db2.gz	ZFTHHNIXOIRIGD-NWDGAFQWSA-N	1	0	357.842	1.020	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3occc3C)n2)O1	ZINC001130759729	940087063	/nfs/dbraw/zinc/08/70/63/940087063.db2.gz	HTWLGZFIHQYGNY-UONOGXRCSA-N	1	0	357.414	1.469	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3ccc(C)o3)n2)O1	ZINC001130775131	940091818	/nfs/dbraw/zinc/09/18/18/940091818.db2.gz	LVKFTPMAXGDUAR-JKSUJKDBSA-N	1	0	371.441	1.398	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CO[C@@H](C)CC)n2)O1	ZINC001130775240	940092787	/nfs/dbraw/zinc/09/27/87/940092787.db2.gz	PWCYXOCSQOIWIL-SOUVJXGZSA-N	1	0	363.462	1.069	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COCC3CC3)n2)O1	ZINC001130765001	940094157	/nfs/dbraw/zinc/09/41/57/940094157.db2.gz	CGIFJAOQPNSQOG-LSDHHAIUSA-N	1	0	363.462	1.233	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)SC)n2)O1	ZINC001130767806	940102184	/nfs/dbraw/zinc/10/21/84/940102184.db2.gz	SUBRLPSSBQQBDV-FRRDWIJNSA-N	1	0	351.476	1.005	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)COC)n2)O1	ZINC001130770199	940108643	/nfs/dbraw/zinc/10/86/43/940108643.db2.gz	XIILZSCXGJBQJX-QLFBSQMISA-N	1	0	365.478	1.479	20	30		FDEDRO
C#CCOCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCC)O2)n[nH]1	ZINC001130785286	940119974	/nfs/dbraw/zinc/11/99/74/940119974.db2.gz	JRDRORWULAUQER-LSDHHAIUSA-N	1	0	363.462	1.071	20	30		FDEDRO
CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3c[nH]c(C#N)c3)n2)O1	ZINC001130776764	940126144	/nfs/dbraw/zinc/12/61/44/940126144.db2.gz	KTSJQFHSXSKVGM-UONOGXRCSA-N	1	0	357.418	1.154	20	30		FDEDRO
C=C(Cl)CNC(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1	ZINC000806903887	940132092	/nfs/dbraw/zinc/13/20/92/940132092.db2.gz	PMCBBLNSSOMSFB-UHFFFAOYSA-N	1	0	366.849	1.774	20	30		FDEDRO
C#CCCCNC(=O)C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000806911793	940138865	/nfs/dbraw/zinc/13/88/65/940138865.db2.gz	FUHBFQISRMTYJC-LJQANCHMSA-N	1	0	355.482	1.887	20	30		FDEDRO
C#CCCCNC(=O)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1	ZINC000806915701	940140973	/nfs/dbraw/zinc/14/09/73/940140973.db2.gz	MJKCKODZWOHCOZ-UHFFFAOYSA-N	1	0	355.482	1.683	20	30		FDEDRO
C#Cc1ccc(C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCC)O3)n[nH]2)cc1	ZINC001130794291	940145458	/nfs/dbraw/zinc/14/54/58/940145458.db2.gz	QCIWVWFKOCHQQQ-DLBZAZTESA-N	1	0	367.453	1.936	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(CCF)CC3)n2)O1	ZINC001130794296	940145486	/nfs/dbraw/zinc/14/54/86/940145486.db2.gz	QLASQWCNPCVVPN-UONOGXRCSA-N	1	0	363.437	1.394	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC[C@@H]4C[C@@H]4CC3)n2)O1	ZINC001130794478	940146409	/nfs/dbraw/zinc/14/64/09/940146409.db2.gz	VLFXVBBBNPTZJN-BQJWPVKWSA-N	1	0	371.485	1.690	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C)nnc3C)n2)O1	ZINC001130787561	940157239	/nfs/dbraw/zinc/15/72/39/940157239.db2.gz	YMFYJEXSIUNVBB-DZGCQCFKSA-N	1	0	371.445	1.137	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cnc(C4CC4)o3)n2)O1	ZINC001130790415	940164387	/nfs/dbraw/zinc/16/43/87/940164387.db2.gz	YWOQWYNDKMFXLD-QWHCGFSZSA-N	1	0	370.413	1.043	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(CC)o3)n2)O1	ZINC001130790420	940164533	/nfs/dbraw/zinc/16/45/33/940164533.db2.gz	ZDXRJAWRBOSYAN-UONOGXRCSA-N	1	0	359.430	1.886	20	30		FDEDRO
C=CCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+][C@H](C)COC)O2)n[nH]1	ZINC001130799421	940191840	/nfs/dbraw/zinc/19/18/40/940191840.db2.gz	GRLNEWAZEWSGQD-QLFBSQMISA-N	1	0	365.478	1.622	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](F)CC)n2)O1	ZINC001130799771	940193748	/nfs/dbraw/zinc/19/37/48/940193748.db2.gz	XDTKPBFJRPWQDU-BFHYXJOUSA-N	1	0	353.442	1.945	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCC1CCC1	ZINC000807040666	940201011	/nfs/dbraw/zinc/20/10/11/940201011.db2.gz	SGUHRYDNMFFVQW-UHFFFAOYSA-N	1	0	356.470	1.755	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cccn3C(C)C)n2)O1	ZINC001130817379	940221513	/nfs/dbraw/zinc/22/15/13/940221513.db2.gz	NEISZPLFEMFISP-GOEBONIOSA-N	1	0	370.457	1.560	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)n2)O1	ZINC001130820333	940227821	/nfs/dbraw/zinc/22/78/21/940227821.db2.gz	SZHXZQNMIKUXFN-BYQJMUEESA-N	1	0	371.485	1.709	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cccs2)C[C@H]1c1cncn1C	ZINC001130895723	940293573	/nfs/dbraw/zinc/29/35/73/940293573.db2.gz	IYSNVPBMHUNLLP-HUUCEWRRSA-N	1	0	358.467	1.329	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1c1cncn1C	ZINC001130908646	940315524	/nfs/dbraw/zinc/31/55/24/940315524.db2.gz	MKJRWILEIMCPEG-DJIMGWMZSA-N	1	0	356.474	1.706	20	30		FDEDRO
CCOC(=O)C1=C(Nc2cc(Br)cc(C#N)n2)CC[NH2+]C1	ZINC001170521647	940315698	/nfs/dbraw/zinc/31/56/98/940315698.db2.gz	KVCNGHQDEIGSBJ-UHFFFAOYSA-N	1	0	351.204	1.938	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnns2)C[C@H]1c1cncn1C	ZINC001130924833	940321326	/nfs/dbraw/zinc/32/13/26/940321326.db2.gz	FZVQUPZHDWPLHB-MGPQQGTHSA-N	1	0	360.487	1.824	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C(C)=O)C[C@H]1c1cncn1C	ZINC001130915587	940325081	/nfs/dbraw/zinc/32/50/81/940325081.db2.gz	LSJULAMARNQWNH-USXIJHARSA-N	1	0	361.490	1.137	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2conc2C)C1	ZINC001130946583	940358069	/nfs/dbraw/zinc/35/80/69/940358069.db2.gz	WNYFYJXUMSLLQJ-HZPDHXFCSA-N	1	0	359.430	1.003	20	30		FDEDRO
CC[C@H](F)C[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1c1cncn1C	ZINC001130956636	940361419	/nfs/dbraw/zinc/36/14/19/940361419.db2.gz	BLNULHMUVYNXGN-SQWLQELKSA-N	1	0	358.421	1.566	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C)n2cccc2)C[C@H]1c1cncn1C	ZINC001130959511	940365286	/nfs/dbraw/zinc/36/52/86/940365286.db2.gz	NXZXNXLGUFFNMG-RCCFBDPRSA-N	1	0	371.485	1.569	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCc2cnn(C)c2)C1	ZINC001130971225	940379587	/nfs/dbraw/zinc/37/95/87/940379587.db2.gz	FNPOUBJAVNDPAS-QZTJIDSGSA-N	1	0	368.485	1.084	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CO[C@@H](C)CC)C[C@H]1c1cncn1C	ZINC001130967234	940389850	/nfs/dbraw/zinc/38/98/50/940389850.db2.gz	RHCSRRXETQRSII-GVDBMIGSSA-N	1	0	364.490	1.322	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)C(C)(C)C	ZINC000807535111	940392964	/nfs/dbraw/zinc/39/29/64/940392964.db2.gz	SKROALSAKXVYTP-QGZVFWFLSA-N	1	0	356.470	1.541	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2nnc(C)o2)C[C@H]1c1cncn1C	ZINC001130980794	940395355	/nfs/dbraw/zinc/39/53/55/940395355.db2.gz	RDKRCADXPKRFOD-HUUCEWRRSA-N	1	0	358.446	1.204	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cccnc2)C1	ZINC001130982814	940397808	/nfs/dbraw/zinc/39/78/08/940397808.db2.gz	HZJHEHBFWXTNCJ-MBOZVWFJSA-N	1	0	369.469	1.226	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCOCC)C1	ZINC001130983038	940397850	/nfs/dbraw/zinc/39/78/50/940397850.db2.gz	NOPULAXUVNZSIL-GPMSIDNRSA-N	1	0	364.490	1.058	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC/C=C\CC)C1	ZINC001130983180	940397888	/nfs/dbraw/zinc/39/78/88/940397888.db2.gz	OWHVYNSBUVKJHA-GAAMPABNSA-N	1	0	360.502	1.988	20	30		FDEDRO
Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1c1cncn1C	ZINC001130983259	940398454	/nfs/dbraw/zinc/39/84/54/940398454.db2.gz	RZJJSAZRMACKBH-QZTJIDSGSA-N	1	0	369.469	1.769	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2ccnn2C)C[C@H]1c1cncn1C	ZINC001130991387	940414099	/nfs/dbraw/zinc/41/40/99/940414099.db2.gz	HCMGIGVZBMZNKV-GVDBMIGSSA-N	1	0	370.501	1.808	20	30		FDEDRO
Cc1cc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2c2cncn2C)on1	ZINC001130985636	940422900	/nfs/dbraw/zinc/42/29/00/940422900.db2.gz	KHJGNBXDKWBKKC-IAGOWNOFSA-N	1	0	369.469	1.850	20	30		FDEDRO
C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1c1cncn1C	ZINC001130985831	940423265	/nfs/dbraw/zinc/42/32/65/940423265.db2.gz	RTVYIYGMWFPTRY-BRWVUGGUSA-N	1	0	360.502	1.515	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C)nn3C)C2)C1=O	ZINC001086653470	940424469	/nfs/dbraw/zinc/42/44/69/940424469.db2.gz	UNTNKJDEHOUHCA-ARFHVFGLSA-N	1	0	359.474	1.004	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccnn2[C@H](C)CC)C[C@H]1c1cncn1C	ZINC001131003994	940430302	/nfs/dbraw/zinc/43/03/02/940430302.db2.gz	WOQUNYLUAUAWNJ-BRWVUGGUSA-N	1	0	368.485	1.809	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3nccn32)C[C@H]1c1cncn1C	ZINC001131007805	940434043	/nfs/dbraw/zinc/43/40/43/940434043.db2.gz	MGCJFLZBDCNVSC-ZACQAIPSSA-N	1	0	368.485	1.654	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@@H](C)OC)C1	ZINC001131007689	940434067	/nfs/dbraw/zinc/43/40/67/940434067.db2.gz	GJZGBESYPRXSDV-BRWVUGGUSA-N	1	0	371.485	1.640	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(CC)n2)C[C@H]1c1cncn1C	ZINC001131012648	940444470	/nfs/dbraw/zinc/44/44/70/940444470.db2.gz	MSYMCNLNKMGQSZ-SJLPKXTDSA-N	1	0	351.454	1.599	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2ccncc2)C[C@H]1c1cncn1C	ZINC001131014902	940448221	/nfs/dbraw/zinc/44/82/21/940448221.db2.gz	JYJXUNYMNUYTLS-BHIYHBOVSA-N	1	0	365.481	1.916	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnc3cc[nH]c3c2)C[C@H]1c1cncn1C	ZINC001131015305	940448639	/nfs/dbraw/zinc/44/86/39/940448639.db2.gz	VCEXWWJOEIGXMZ-CRAIPNDOSA-N	1	0	362.437	1.518	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cn2cncc2C)C[C@H]1c1cncn1C	ZINC001131031118	940450904	/nfs/dbraw/zinc/45/09/04/940450904.db2.gz	HOFVJOUQESZZGM-IAGOWNOFSA-N	1	0	356.474	1.475	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCn3nccc32)C[C@H]1c1cncn1C	ZINC001131020031	940452437	/nfs/dbraw/zinc/45/24/37/940452437.db2.gz	JCMMVLLUQSEEQK-GVDBMIGSSA-N	1	0	366.469	1.102	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1	ZINC000807684287	940455522	/nfs/dbraw/zinc/45/55/22/940455522.db2.gz	ULVHYFSKIANTPX-UHFFFAOYSA-N	1	0	351.491	1.561	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccnc(OC)c2)C[C@H]1c1cncn1C	ZINC001131022866	940456442	/nfs/dbraw/zinc/45/64/42/940456442.db2.gz	JYQULWCTMAHXTG-HZPDHXFCSA-N	1	0	355.442	1.598	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2cccnc2)C[C@H]1c1cncn1C	ZINC001131025815	940458796	/nfs/dbraw/zinc/45/87/96/940458796.db2.gz	DKXHJKIEZGOXDS-QZTJIDSGSA-N	1	0	353.470	1.908	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2cccnc2)C[C@H]1c1cncn1C	ZINC001131025922	940458996	/nfs/dbraw/zinc/45/89/96/940458996.db2.gz	KIBYUUWTIVUVIO-QZTJIDSGSA-N	1	0	351.454	1.355	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cncn2C)C[C@H]1c1cncn1C	ZINC001131025927	940459020	/nfs/dbraw/zinc/45/90/20/940459020.db2.gz	KMKOOLOJNYSYEE-BZUAXINKSA-N	1	0	356.474	1.706	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccn3ccnc3c2)C[C@H]1c1cncn1C	ZINC001131029031	940463992	/nfs/dbraw/zinc/46/39/92/940463992.db2.gz	XHXIHUCQTDYZRF-IAGOWNOFSA-N	1	0	362.437	1.289	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2ccccn2)C[C@H]1c1cncn1C	ZINC001131039981	940467888	/nfs/dbraw/zinc/46/78/88/940467888.db2.gz	FLZJBIKODDOLCW-QZTJIDSGSA-N	1	0	351.454	1.355	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)on2)C[C@H]1c1cncn1C	ZINC001131040162	940468040	/nfs/dbraw/zinc/46/80/40/940468040.db2.gz	PPUJBRAECDNSQY-GDBMZVCRSA-N	1	0	355.442	1.753	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cncn2C)C1	ZINC001131060124	940478968	/nfs/dbraw/zinc/47/89/68/940478968.db2.gz	VNCXXXGHLNEABP-IAGOWNOFSA-N	1	0	356.474	1.594	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1c1cncn1C	ZINC001131051650	940480200	/nfs/dbraw/zinc/48/02/00/940480200.db2.gz	RTWFVTKYHCDURZ-AKOCFDCFSA-N	1	0	358.486	1.551	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+][C@H](C)COC)C2)c1	ZINC001131067960	940483208	/nfs/dbraw/zinc/48/32/08/940483208.db2.gz	DDZWHWBIEOMNAI-ZTFGCOKTSA-N	1	0	367.453	1.029	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3nc[nH]c32)C[C@H]1c1cncn1C	ZINC001131069992	940484126	/nfs/dbraw/zinc/48/41/26/940484126.db2.gz	AJZFSEHZBSEXJF-ZMSDIMECSA-N	1	0	368.485	1.723	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)cc1C#N	ZINC000807853308	940484149	/nfs/dbraw/zinc/48/41/49/940484149.db2.gz	FQUKUYUNGCKKQD-UHFFFAOYSA-N	1	0	372.469	1.421	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(F)F)n[nH]2)C[C@H]1c1cncn1C	ZINC001131070071	940484315	/nfs/dbraw/zinc/48/43/15/940484315.db2.gz	DTCKJBWQOJVZNV-BXUZGUMPSA-N	1	0	364.400	1.855	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCC(C)C)C2)nn1	ZINC001131083993	940489119	/nfs/dbraw/zinc/48/91/19/940489119.db2.gz	IBORYEOVUOFSAM-HZPDHXFCSA-N	1	0	371.489	1.442	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2coc(C3CC3)n2)C[C@H]1c1cncn1C	ZINC001131084537	940489435	/nfs/dbraw/zinc/48/94/35/940489435.db2.gz	XZVNFZIINUTNLK-HUUCEWRRSA-N	1	0	353.426	1.507	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)nc2OC)C[C@H]1c1cncn1C	ZINC001131084538	940489451	/nfs/dbraw/zinc/48/94/51/940489451.db2.gz	YAMZCYDMQFHKHQ-IAGOWNOFSA-N	1	0	369.469	1.906	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2ccnc2)C[C@H]1c1cncn1C	ZINC001131079469	940492265	/nfs/dbraw/zinc/49/22/65/940492265.db2.gz	MZHGFFOVVYUZNW-GVDBMIGSSA-N	1	0	354.458	1.175	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(CC)c[nH]c2=O)C[C@H]1c1cncn1C	ZINC001131098388	940492764	/nfs/dbraw/zinc/49/27/64/940492764.db2.gz	BGCVXGJXLWPLBX-IAGOWNOFSA-N	1	0	367.453	1.304	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CC)C1	ZINC001131086557	940493543	/nfs/dbraw/zinc/49/35/43/940493543.db2.gz	SEGFVXBUJSDPLQ-XFKSJGNHSA-N	1	0	370.497	1.699	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC)C1	ZINC001131086565	940493547	/nfs/dbraw/zinc/49/35/47/940493547.db2.gz	SVMMQHFIDQQUQC-BRWVUGGUSA-N	1	0	361.490	1.185	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccn3ccnc23)C[C@H]1c1cncn1C	ZINC001131086482	940493548	/nfs/dbraw/zinc/49/35/48/940493548.db2.gz	QETUPSBDBQTNBQ-IAGOWNOFSA-N	1	0	362.437	1.289	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn(CCC=C)nn2)C[C@H]1c1cncn1C	ZINC001131089483	940494703	/nfs/dbraw/zinc/49/47/03/940494703.db2.gz	JGJZEEMXIAZPCA-HZPDHXFCSA-N	1	0	369.473	1.362	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(CC)CCOCC2)C[C@H]1c1cncn1C	ZINC001131096967	940497520	/nfs/dbraw/zinc/49/75/20/940497520.db2.gz	SLHBYTXLHJSKNG-IAGOWNOFSA-N	1	0	358.486	1.534	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cccnc2)C[C@H]1c1cncn1C	ZINC001131113408	940499289	/nfs/dbraw/zinc/49/92/89/940499289.db2.gz	ZIZJIPINEVISQH-CGTJXYLNSA-N	1	0	351.454	1.526	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C)cc2=O)C[C@H]1c1cncn1C	ZINC001131103652	940501120	/nfs/dbraw/zinc/50/11/20/940501120.db2.gz	VEFKFGUFWRPSII-IAGOWNOFSA-N	1	0	369.469	1.581	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H](OC)C(F)(F)F)C[C@H]1c1cncn1C	ZINC001131105911	940501711	/nfs/dbraw/zinc/50/17/11/940501711.db2.gz	KQCFRDLZCLVSNM-YRGRVCCFSA-N	1	0	360.380	1.458	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2ccccn2)C[C@H]1c1cncn1C	ZINC001131107867	940502453	/nfs/dbraw/zinc/50/24/53/940502453.db2.gz	DBQKVBXCUPVHIN-GVDBMIGSSA-N	1	0	369.469	1.743	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](OC)c2ccccc2)C[C@H]1c1cncn1C	ZINC001131110090	940503501	/nfs/dbraw/zinc/50/35/01/940503501.db2.gz	BONZDCBFKPUIHA-QWFCFKBJSA-N	1	0	366.465	1.715	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COc2ccccc2C)C[C@H]1c1cncn1C	ZINC001131117750	940504555	/nfs/dbraw/zinc/50/45/55/940504555.db2.gz	PVUWCINJKKBFJL-QZTJIDSGSA-N	1	0	366.465	1.715	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cn2ccnc2C)C[C@H]1c1cncn1C	ZINC001131120984	940506260	/nfs/dbraw/zinc/50/62/60/940506260.db2.gz	HAWKBJBMMAOBIY-IAGOWNOFSA-N	1	0	356.474	1.475	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCOc2ccccc2C)C[C@H]1c1cncn1C	ZINC001131123329	940507064	/nfs/dbraw/zinc/50/70/64/940507064.db2.gz	BXYQVZRMKDNUKR-QZTJIDSGSA-N	1	0	366.465	1.715	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCCn2cccn2)C[C@H]1c1cncn1C	ZINC001131123949	940507200	/nfs/dbraw/zinc/50/72/00/940507200.db2.gz	VMSNAOYHDWFJLZ-IAGOWNOFSA-N	1	0	354.458	1.004	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)Cc2ccc[nH]2)C[C@H]1c1cncn1C	ZINC001131125534	940507793	/nfs/dbraw/zinc/50/77/93/940507793.db2.gz	FOYMFTMOKDUDNV-IAGOWNOFSA-N	1	0	357.458	1.078	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000808022649	940512288	/nfs/dbraw/zinc/51/22/88/940512288.db2.gz	PCBJXAJLXFJTQY-STQMWFEESA-N	1	0	372.307	1.780	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCCC(C)C)C[C@H]1c1cncn1C	ZINC001131132386	940512470	/nfs/dbraw/zinc/51/24/70/940512470.db2.gz	IBPNXRPDHSTQMK-KZNAEPCWSA-N	1	0	360.502	1.779	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](OCC)c2ccccc2)C[C@H]1c1cncn1C	ZINC001131132573	940512619	/nfs/dbraw/zinc/51/26/19/940512619.db2.gz	MBGOKRNUTSIVFV-GGPKGHCWSA-N	1	0	366.465	1.715	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC[C@H](C)O)C1	ZINC001131136704	940513699	/nfs/dbraw/zinc/51/36/99/940513699.db2.gz	ZWBIQIXJAOLMSS-GVDBMIGSSA-N	1	0	364.490	1.058	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ncccc2OCC)C[C@H]1c1cncn1C	ZINC001131136626	940513743	/nfs/dbraw/zinc/51/37/43/940513743.db2.gz	WSOCJPHITWKWKR-HZPDHXFCSA-N	1	0	367.453	1.435	20	30		FDEDRO
CCCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C#CC2CC2)C1	ZINC001131306995	940548749	/nfs/dbraw/zinc/54/87/49/940548749.db2.gz	FEMCEDUMEYCGIR-KSZLIROESA-N	1	0	359.470	1.696	20	30		FDEDRO
CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1	ZINC001131307134	940548867	/nfs/dbraw/zinc/54/88/67/940548867.db2.gz	KCWVJEXKFMXAQT-ZACQAIPSSA-N	1	0	361.486	1.942	20	30		FDEDRO
CC(C)C#CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CCC4CC4)C[C@H]32)C1	ZINC001131307482	940549234	/nfs/dbraw/zinc/54/92/34/940549234.db2.gz	VAEAXDQELSMQKB-KURKYZTESA-N	1	0	359.470	1.552	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1	ZINC001131307568	940549329	/nfs/dbraw/zinc/54/93/29/940549329.db2.gz	XGNNQEUYAAFDLI-ZACQAIPSSA-N	1	0	359.470	1.718	20	30		FDEDRO
C#CCCCCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCC=C)C[C@H]32)C1	ZINC001131310457	940550255	/nfs/dbraw/zinc/55/02/55/940550255.db2.gz	RZBVLOHMOBNJDP-KSZLIROESA-N	1	0	359.470	1.862	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cccnn2)C1	ZINC001131313244	940552850	/nfs/dbraw/zinc/55/28/50/940552850.db2.gz	LSXNLKKOTWWVFG-OIISXLGYSA-N	1	0	371.441	1.162	20	30		FDEDRO
CCCCn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1	ZINC001086667737	940560010	/nfs/dbraw/zinc/56/00/10/940560010.db2.gz	UTHQTLRDGZRMBF-DZGCQCFKSA-N	1	0	370.461	1.361	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2CCCC2)CC1	ZINC001131401899	940561641	/nfs/dbraw/zinc/56/16/41/940561641.db2.gz	PYEQGTJUCLELAW-MJGOQNOKSA-N	1	0	363.502	1.465	20	30		FDEDRO
CCn1nnc(C)c1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1	ZINC001086668355	940566177	/nfs/dbraw/zinc/56/61/77/940566177.db2.gz	NPKPIHIOBFOBKN-DZGCQCFKSA-N	1	0	355.446	1.495	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)CC)CC1	ZINC001131427318	940567004	/nfs/dbraw/zinc/56/70/04/940567004.db2.gz	VYQVHDWSUZLOQX-LESCRADOSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)CC)CC1	ZINC001131427317	940567080	/nfs/dbraw/zinc/56/70/80/940567080.db2.gz	VYQVHDWSUZLOQX-KYJSFNMBSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COC(C)C)CC1	ZINC001131442244	940591348	/nfs/dbraw/zinc/59/13/48/940591348.db2.gz	MPYMMWOSXQWLBH-MJGOQNOKSA-N	1	0	354.491	1.600	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cncs2)CC1	ZINC001131434067	940597987	/nfs/dbraw/zinc/59/79/87/940597987.db2.gz	PKBYDSRRRMRUEE-WBVHZDCISA-N	1	0	365.499	1.945	20	30		FDEDRO
CC(C)(C)N1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1=O	ZINC001086669174	940598388	/nfs/dbraw/zinc/59/83/88/940598388.db2.gz	ROHBAEZOIHCYFI-IMJJTQAJSA-N	1	0	371.485	1.774	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H]2CCCO2)CC1	ZINC001131437090	940600374	/nfs/dbraw/zinc/60/03/74/940600374.db2.gz	KZJHYCFOMMJTHT-NSHGMRRFSA-N	1	0	366.502	1.744	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCC2CC2)CC1	ZINC001131453857	940607195	/nfs/dbraw/zinc/60/71/95/940607195.db2.gz	AUJDZNHLBVUXEL-XLIONFOSSA-N	1	0	363.502	1.465	20	30		FDEDRO
CCC[C@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NCC#N)CC1	ZINC001131456184	940609826	/nfs/dbraw/zinc/60/98/26/940609826.db2.gz	JXOLAUNJZJIYKS-LESCRADOSA-N	1	0	364.490	1.048	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC(N)=O)CC1	ZINC001131456195	940610041	/nfs/dbraw/zinc/61/00/41/940610041.db2.gz	KIYQGJNJEDELFR-APWZRJJASA-N	1	0	353.507	1.818	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2CC=CC2)CC1	ZINC001131458367	940613239	/nfs/dbraw/zinc/61/32/39/940613239.db2.gz	MAELUZUVZNAEEN-MJGOQNOKSA-N	1	0	361.486	1.241	20	30		FDEDRO
COC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1	ZINC001131470612	940626033	/nfs/dbraw/zinc/62/60/33/940626033.db2.gz	LFCKOQLIQOIPDX-QBIMZIAESA-N	1	0	360.458	1.521	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(=O)n(C)o2)CC1	ZINC001131487732	940631335	/nfs/dbraw/zinc/63/13/35/940631335.db2.gz	CIUSXZOMNYEONX-QAPCUYQASA-N	1	0	363.458	1.544	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn(CC)n2)CC1	ZINC001131490944	940641333	/nfs/dbraw/zinc/64/13/33/940641333.db2.gz	IJPICIBWVAMUIF-AEFFLSMTSA-N	1	0	361.490	1.864	20	30		FDEDRO
C#CCOCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCOCC)CC1	ZINC001131498616	940648920	/nfs/dbraw/zinc/64/89/20/940648920.db2.gz	HDOPSGVXHBUUKJ-QUCCMNQESA-N	1	0	366.502	1.439	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(F)CCOCC2)CC1	ZINC001131510321	940658919	/nfs/dbraw/zinc/65/89/19/940658919.db2.gz	AVSXTPUCIDHGAW-SJORKVTESA-N	1	0	352.450	1.514	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccn(C)c(=O)c2)CC1	ZINC001131519183	940688215	/nfs/dbraw/zinc/68/82/15/940688215.db2.gz	ITBNBAKBDLHVLZ-MJGOQNOKSA-N	1	0	357.454	1.008	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc3c([nH]2)CCOC3)CC1	ZINC001131511949	940693675	/nfs/dbraw/zinc/69/36/75/940693675.db2.gz	FHUKRYUEZJGGIB-QUCCMNQESA-N	1	0	371.481	1.710	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCc2ncc(C)o2)CC1	ZINC001131528335	940698130	/nfs/dbraw/zinc/69/81/30/940698130.db2.gz	SNRCMHYAWKRJPM-APWZRJJASA-N	1	0	363.458	1.671	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2ccnc(C)n2)CC1	ZINC001131533403	940703896	/nfs/dbraw/zinc/70/38/96/940703896.db2.gz	BTJMCGFFWYJQKJ-CTNGQTDRSA-N	1	0	370.497	1.727	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2ncccc2F)CC1	ZINC001131552625	940729182	/nfs/dbraw/zinc/72/91/82/940729182.db2.gz	ZBMYTXAEVIHGEN-XLIONFOSSA-N	1	0	359.445	1.772	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](COC)OC)CC1	ZINC001131560021	940734223	/nfs/dbraw/zinc/73/42/23/940734223.db2.gz	SNDOGOHPTNWGEZ-KURKYZTESA-N	1	0	354.491	1.600	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(CF)CC2)CC1	ZINC001131559979	940734253	/nfs/dbraw/zinc/73/42/53/940734253.db2.gz	QQDVVTFGSKKREX-WBVHZDCISA-N	1	0	367.465	1.024	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)c2cncnc2)CC1	ZINC001131549922	940738608	/nfs/dbraw/zinc/73/86/08/940738608.db2.gz	GSNIYPKVWPULQV-IPELMVKDSA-N	1	0	356.470	1.589	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@]2(C)C=CCC2)CC1	ZINC001131550277	940739067	/nfs/dbraw/zinc/73/90/67/940739067.db2.gz	RDBPCXSMEXXDDV-DYXWJJEUSA-N	1	0	360.498	1.978	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2CC)CC1	ZINC001131567357	940742759	/nfs/dbraw/zinc/74/27/59/940742759.db2.gz	HDVNWZRYCSQJMN-MYZZLAAOSA-N	1	0	363.502	1.320	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2Cc3ccncc3C2)CC1	ZINC001131570490	940746238	/nfs/dbraw/zinc/74/62/38/940746238.db2.gz	JLYRDPCYMZGEKG-NRSPTQNISA-N	1	0	367.493	1.805	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(N)=O)CC1	ZINC001131572076	940748320	/nfs/dbraw/zinc/74/83/20/940748320.db2.gz	BPXKASDZCWJYBG-BMFZPTHFSA-N	1	0	351.491	1.448	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCc3nc[nH]c3C2)CC1	ZINC001131590452	940759891	/nfs/dbraw/zinc/75/98/91/940759891.db2.gz	BNEHJZYGMGCIMO-POAQFYNOSA-N	1	0	370.497	1.524	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn(C)n2)CC1	ZINC001131580600	940766940	/nfs/dbraw/zinc/76/69/40/940766940.db2.gz	ZPERJAHYOUUQJU-KYJSFNMBSA-N	1	0	361.490	1.769	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2ncc[nH]2)CC1	ZINC001131584698	940770242	/nfs/dbraw/zinc/77/02/42/940770242.db2.gz	BZCMYQZHGBLHGB-APWZRJJASA-N	1	0	362.474	1.141	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)[C@H](C)CC)CC1	ZINC001131604735	940773778	/nfs/dbraw/zinc/77/37/78/940773778.db2.gz	DQUPDNAYAUALMD-KYJSFNMBSA-N	1	0	351.491	1.320	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)C(C)(C)C)CC1	ZINC001131604870	940774313	/nfs/dbraw/zinc/77/43/13/940774313.db2.gz	KNRZJOAEKPEGFK-AEFFLSMTSA-N	1	0	363.502	1.158	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCC(=O)NCC)CC1	ZINC001131594717	940776906	/nfs/dbraw/zinc/77/69/06/940776906.db2.gz	ALNMWYLKROVZLY-XLIONFOSSA-N	1	0	365.518	1.855	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1ccnn1C	ZINC001131630409	940802240	/nfs/dbraw/zinc/80/22/40/940802240.db2.gz	GXMHHRQXIBPCNU-HZPDHXFCSA-N	1	0	353.426	1.310	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(C)c1)[C@H]1CCCO1	ZINC000809309522	940814183	/nfs/dbraw/zinc/81/41/83/940814183.db2.gz	NHJPXDQOBDFFFM-RBUKOAKNSA-N	1	0	371.481	1.182	20	30		FDEDRO
N#Cc1ncc(Br)cc1N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000809354965	940825122	/nfs/dbraw/zinc/82/51/22/940825122.db2.gz	BECJFWZUUUYUSK-GFCCVEGCSA-N	1	0	351.248	1.874	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1C#N	ZINC000809503875	940846194	/nfs/dbraw/zinc/84/61/94/940846194.db2.gz	ARWIWCKYJCKVFD-UHFFFAOYSA-N	1	0	372.469	1.516	20	30		FDEDRO
C#C[C@H](CC)[NH2+]C1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1	ZINC000809686314	940886029	/nfs/dbraw/zinc/88/60/29/940886029.db2.gz	JKNBWCIMXYLTFK-OAHLLOKOSA-N	1	0	363.483	1.800	20	30		FDEDRO
CN1CCOC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001086675274	940910414	/nfs/dbraw/zinc/91/04/14/940910414.db2.gz	WQNCVLHUHWIPKX-OTWHNJEPSA-N	1	0	356.470	1.263	20	30		FDEDRO
CCc1nnc([C@H](C)[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)[nH]1	ZINC001086676658	940949111	/nfs/dbraw/zinc/94/91/11/940949111.db2.gz	OJUHTQJKXNGXFM-SGMGOOAPSA-N	1	0	355.446	1.816	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3csnc3C)C2)C1=O	ZINC001086677335	940954559	/nfs/dbraw/zinc/95/45/59/940954559.db2.gz	RCFFEUVYVVQNEF-SQWLQELKSA-N	1	0	362.499	1.727	20	30		FDEDRO
N#CCOc1ccc(-n2ccc(=[NH+]CCN3CCOCC3)c(N)c2)cc1	ZINC001212605876	941029650	/nfs/dbraw/zinc/02/96/50/941029650.db2.gz	AGVYXARYVWZWCG-UHFFFAOYSA-N	1	0	353.426	1.195	20	30		FDEDRO
CON=Cc1ccc(C(=O)O[C@H]2CCCN(c3cc[nH+]c(N)n3)C2)cc1	ZINC000810767417	941055207	/nfs/dbraw/zinc/05/52/07/941055207.db2.gz	VUQQOUCOIICWHS-HNNXBMFYSA-N	1	0	355.398	1.865	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ncn(C)n2)C1	ZINC001086688281	941077628	/nfs/dbraw/zinc/07/76/28/941077628.db2.gz	JGDJLNVTUQULJU-GOEBONIOSA-N	1	0	368.441	1.384	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCc2cccc(N(CC)CCOC)n2)CC1	ZINC000811123785	941097652	/nfs/dbraw/zinc/09/76/52/941097652.db2.gz	JECCSUWKGMDDDE-UHFFFAOYSA-N	1	0	359.470	1.943	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCOc3ccccc32)C1	ZINC001195228849	970784656	/nfs/dbraw/zinc/78/46/56/970784656.db2.gz	INLKKLJLQZHDBZ-KBAYOESNSA-N	1	0	360.454	1.307	20	30		FDEDRO
CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N	ZINC000812196433	941186745	/nfs/dbraw/zinc/18/67/45/941186745.db2.gz	QARYPMRUJDBCPH-ZNMIVQPWSA-N	1	0	367.494	1.773	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)NCc2ccccc2OC)CC1	ZINC000747820274	941274613	/nfs/dbraw/zinc/27/46/13/941274613.db2.gz	RUPHWHGBQVVHOJ-OAHLLOKOSA-N	1	0	357.454	1.161	20	30		FDEDRO
C#Cc1cccc(N(CC(=O)NC)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)c1	ZINC000812949470	941303117	/nfs/dbraw/zinc/30/31/17/941303117.db2.gz	AEIAKCJVMZUJRG-FQEVSTJZSA-N	1	0	359.445	1.959	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1	ZINC000813500368	941400189	/nfs/dbraw/zinc/40/01/89/941400189.db2.gz	OGCKRIJZHUBQNU-QGZVFWFLSA-N	1	0	350.442	1.467	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N[C@H](C)c1cccs1	ZINC001134054344	941531003	/nfs/dbraw/zinc/53/10/03/941531003.db2.gz	GJASBGMUAXMYNR-MCIONIFRSA-N	1	0	351.472	1.222	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccc(F)cc1Cl	ZINC001134049825	941538199	/nfs/dbraw/zinc/53/81/99/941538199.db2.gz	QIJZYOGOZSYSBZ-DOMZBBRYSA-N	1	0	369.824	1.715	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NCc1cccs1	ZINC001134061712	941540384	/nfs/dbraw/zinc/54/03/84/941540384.db2.gz	FKUASAVULSLSCZ-YUELXQCFSA-N	1	0	351.472	1.050	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)Nc1c(C)cccc1C	ZINC001134062251	941540923	/nfs/dbraw/zinc/54/09/23/941540923.db2.gz	UPLIKYJEPKFLQH-ZACQAIPSSA-N	1	0	359.470	1.927	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)Nc1ccc(F)c(F)c1	ZINC001134062401	941541215	/nfs/dbraw/zinc/54/12/15/941541215.db2.gz	ZDJYMIIZAFGOAI-KFNAQCHYSA-N	1	0	367.396	1.589	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@H]1CC[C@@H]([NH2+][C@H]2CCN(CC)C2=O)C1	ZINC001086718432	941583340	/nfs/dbraw/zinc/58/33/40/941583340.db2.gz	YLYUAFUEAMENCC-BBWFWOEESA-N	1	0	358.486	1.783	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCNC2=O)C1	ZINC001086723806	941695279	/nfs/dbraw/zinc/69/52/79/941695279.db2.gz	WIMICJOEGSZRIP-YNEHKIRRSA-N	1	0	358.280	1.296	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(=O)N(C)Cc2ccc(SC)cc2)CC1	ZINC000747965429	941696704	/nfs/dbraw/zinc/69/67/04/941696704.db2.gz	DNLKBRIYBCLULR-UHFFFAOYSA-N	1	0	373.522	1.828	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)NC(=O)Nc2ccccc2)CC1	ZINC000747969125	941708315	/nfs/dbraw/zinc/70/83/15/941708315.db2.gz	RIBHMRRXTCRCPC-AWEZNQCLSA-N	1	0	356.426	1.185	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CC[C@H](C#N)C1	ZINC000815065573	941772513	/nfs/dbraw/zinc/77/25/13/941772513.db2.gz	HOCVTXWJHAGECN-GJZGRUSLSA-N	1	0	350.463	1.690	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC(=O)N2)C1	ZINC001086726557	941774391	/nfs/dbraw/zinc/77/43/91/941774391.db2.gz	LFOMNMQTBONCBI-BMGDILEWSA-N	1	0	354.454	1.601	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]Cc1c(C)nn(C)c1Cl	ZINC001135058444	941874238	/nfs/dbraw/zinc/87/42/38/941874238.db2.gz	QEFCSSMQXAFVBV-ZFWWWQNUSA-N	1	0	354.882	1.959	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCc2ccccc21	ZINC001135067750	941883496	/nfs/dbraw/zinc/88/34/96/941883496.db2.gz	KXKAZYSLIXOGEJ-PXNSSMCTSA-N	1	0	371.481	1.653	20	30		FDEDRO
CCc1ccc(C#CC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1	ZINC000815629476	941922986	/nfs/dbraw/zinc/92/29/86/941922986.db2.gz	DYKSRFKTIAZJGY-HXUWFJFHSA-N	1	0	355.482	1.123	20	30		FDEDRO
C#CCN(C)CCC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C	ZINC000815652676	941933608	/nfs/dbraw/zinc/93/36/08/941933608.db2.gz	MVFUJEOEXSGVEW-IXDOHACOSA-N	1	0	353.507	1.849	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccc(F)c(F)c1	ZINC001135147971	941934989	/nfs/dbraw/zinc/93/49/89/941934989.db2.gz	WMLSVUKJEDOFAW-GUYCJALGSA-N	1	0	367.396	1.590	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1	ZINC000815746547	941953205	/nfs/dbraw/zinc/95/32/05/941953205.db2.gz	MHFBCVHIZOQKHE-LIRRHRJNSA-N	1	0	356.426	1.470	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cnn(CC(C)C)c1C(C)C	ZINC000815860729	941996322	/nfs/dbraw/zinc/99/63/22/941996322.db2.gz	XYAMACQRPODRDK-UHFFFAOYSA-N	1	0	361.490	1.672	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cnc(C(F)(F)F)cc1C	ZINC000815861308	941996899	/nfs/dbraw/zinc/99/68/99/941996899.db2.gz	BDACFZACRYDJQH-UHFFFAOYSA-N	1	0	356.348	1.419	20	30		FDEDRO
CN1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)CC1=O	ZINC001086735242	942097570	/nfs/dbraw/zinc/09/75/70/942097570.db2.gz	NSGFVOKCRJOFPI-GBESFXJTSA-N	1	0	368.481	1.801	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)C1	ZINC001086744182	942226321	/nfs/dbraw/zinc/22/63/21/942226321.db2.gz	DQPCKUOFFKSOEY-WDEREUQCSA-N	1	0	361.851	1.168	20	30		FDEDRO
C=CC[C@@H](CO)[NH2+]C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1	ZINC000816569460	942264564	/nfs/dbraw/zinc/26/45/64/942264564.db2.gz	MVBBAJGYNQXDPU-CABCVRRESA-N	1	0	355.479	1.276	20	30		FDEDRO
C[NH+](C)CCc1ccc(C(=O)NCCNC(=O)C2N=CC=CC2=O)cc1	ZINC000816923237	942383186	/nfs/dbraw/zinc/38/31/86/942383186.db2.gz	BIFHVIAVFAHWAO-HTXNQAPBSA-N	1	0	356.426	1.047	20	30		FDEDRO
CN1C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)NC1=O	ZINC001086777337	942452545	/nfs/dbraw/zinc/45/25/45/942452545.db2.gz	MFAIGTYQBMCEKS-YWPYICTPSA-N	1	0	361.471	1.018	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCNC3=O)C2)cc1F	ZINC001086776299	942472359	/nfs/dbraw/zinc/47/23/59/942472359.db2.gz	BGCTXTCSFYGGBD-MAZHCROVSA-N	1	0	358.417	1.208	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3nnn(C)c3C2)C1	ZINC001086787430	942519137	/nfs/dbraw/zinc/51/91/37/942519137.db2.gz	RPVJHHDUQSJLEK-BFHYXJOUSA-N	1	0	351.882	1.547	20	30		FDEDRO
Cn1c(=O)cccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001086798835	942623426	/nfs/dbraw/zinc/62/34/26/942623426.db2.gz	KBTLJWJPXOJZSS-ZWKOTPCHSA-N	1	0	364.449	1.945	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(OC)no3)C2)c1	ZINC001086798609	942636169	/nfs/dbraw/zinc/63/61/69/942636169.db2.gz	XADJYWLRJPMLNP-GOEBONIOSA-N	1	0	354.410	1.748	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1	ZINC001086803207	942714219	/nfs/dbraw/zinc/71/42/19/942714219.db2.gz	WRIXKXZWAAFVAQ-RFQIPJPRSA-N	1	0	372.307	1.494	20	30		FDEDRO
CCN1CCC([N@@H+]2CCCN(Cn3ccc(C)c(C#N)c3=O)CC2)CC1	ZINC000817372079	942724049	/nfs/dbraw/zinc/72/40/49/942724049.db2.gz	FVHRAHQRFMHVIZ-UHFFFAOYSA-N	1	0	357.502	1.478	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1	ZINC000817846649	943008969	/nfs/dbraw/zinc/00/89/69/943008969.db2.gz	VNVFTDMVABCZDY-MOPGFXCFSA-N	1	0	353.466	1.758	20	30		FDEDRO
C#CCCCNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC	ZINC000817825592	943030180	/nfs/dbraw/zinc/03/01/80/943030180.db2.gz	MZLZVXPAYPFNLD-RTBURBONSA-N	1	0	371.481	1.169	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCC3(CC[NH2+]3)CC2)ccc1F	ZINC000818022385	943134431	/nfs/dbraw/zinc/13/44/31/943134431.db2.gz	WKUYTQHLYLIFDD-UHFFFAOYSA-N	1	0	367.446	1.258	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C[NH3+])C(C)(C)C)ccc1F	ZINC000818006671	943141600	/nfs/dbraw/zinc/14/16/00/943141600.db2.gz	GPWGYAWGULJTAF-CQSZACIVSA-N	1	0	357.451	1.393	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@@H]1Cc2cc(Br)ccc2O1	ZINC000818584761	943294535	/nfs/dbraw/zinc/29/45/35/943294535.db2.gz	XOTLPJKIAJVVNH-HNNXBMFYSA-N	1	0	351.244	1.824	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC)cc2)C1	ZINC000818589159	943297227	/nfs/dbraw/zinc/29/72/27/943297227.db2.gz	SHXUMHHGNDBUGQ-MRXNPFEDSA-N	1	0	357.454	1.510	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000818612060	943302133	/nfs/dbraw/zinc/30/21/33/943302133.db2.gz	MNCUREGBXAKKCQ-UHFFFAOYSA-N	1	0	366.805	1.049	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1	ZINC000818633711	943312795	/nfs/dbraw/zinc/31/27/95/943312795.db2.gz	UHWBNOGWQHADRQ-VHDGCEQUSA-N	1	0	354.414	1.670	20	30		FDEDRO
C#CC[C@H](Cc1ccccc1)NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1	ZINC000818652716	943317666	/nfs/dbraw/zinc/31/76/66/943317666.db2.gz	FBKAMVJMMLVGHW-CEXWTWQISA-N	1	0	351.454	1.491	20	30		FDEDRO
COc1cc(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)ccc1OCC(N)=O	ZINC000818961992	943344824	/nfs/dbraw/zinc/34/48/24/943344824.db2.gz	ZIMBHKPGVKKIBE-MRXNPFEDSA-N	1	0	355.394	1.254	20	30		FDEDRO
CNS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)s1	ZINC000818948585	943359108	/nfs/dbraw/zinc/35/91/08/943359108.db2.gz	RVAUOWSSLLGKHG-CQSZACIVSA-N	1	0	351.453	1.351	20	30		FDEDRO
CC(C)(C)OC(=O)NCC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1	ZINC000818981970	943370866	/nfs/dbraw/zinc/37/08/66/943370866.db2.gz	AEMJEIDIGGFIJX-UHFFFAOYSA-N	1	0	353.444	1.446	20	30		FDEDRO
C=CCc1cc(C[NH2+]C[C@H](O)CN2CCOCC2)cc(OC)c1OC	ZINC000818988071	943374774	/nfs/dbraw/zinc/37/47/74/943374774.db2.gz	DDYFBPVAMJIXSY-KRWDZBQOSA-N	1	0	350.459	1.215	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nccnc3C)C2)nn1	ZINC001086823610	943389932	/nfs/dbraw/zinc/38/99/32/943389932.db2.gz	MUHAAASPHHDVAF-LSDHHAIUSA-N	1	0	355.446	1.251	20	30		FDEDRO
Cc1cc2ncn(C[C@@H](O)C[NH2+]CCNc3ncccc3C#N)c2cc1C	ZINC000818976111	943391032	/nfs/dbraw/zinc/39/10/32/943391032.db2.gz	UFCKPJJCFPJYLR-KRWDZBQOSA-N	1	0	364.453	1.982	20	30		FDEDRO
Cc1ccc(C)c(OC[C@@H](O)C[NH2+]CCNC(=O)C2N=CC=CC2=O)c1	ZINC000819049609	943394752	/nfs/dbraw/zinc/39/47/52/943394752.db2.gz	MDPBMGJNIYHVPO-IJYGLTAASA-N	1	0	359.426	1.159	20	30		FDEDRO
O=C(NCC[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)C1N=CC=CC1=O	ZINC000819049449	943394914	/nfs/dbraw/zinc/39/49/14/943394914.db2.gz	KBLYVNUAFGTXSB-DQHOPXMZSA-N	1	0	369.343	1.855	20	30		FDEDRO
CCc1cccc(OC[C@@H](O)C[NH2+]CCNC(=O)C2N=CC=CC2=O)c1	ZINC000819055828	943397304	/nfs/dbraw/zinc/39/73/04/943397304.db2.gz	XZCQJIKNGMFSKU-MJWGMMHASA-N	1	0	359.426	1.105	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(C)on3)C2)nn1	ZINC001086824670	943413469	/nfs/dbraw/zinc/41/34/69/943413469.db2.gz	TVGWNJZHZIFVED-LSDHHAIUSA-N	1	0	358.446	1.839	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1	ZINC000819068909	943428378	/nfs/dbraw/zinc/42/83/78/943428378.db2.gz	KNCGEARAIKGXFC-ZDUSSCGKSA-N	1	0	355.360	1.893	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H]2COC3(CCCCC3)O2)c1	ZINC000819210559	943488597	/nfs/dbraw/zinc/48/85/97/943488597.db2.gz	WLERMZSFYROQHK-MRXNPFEDSA-N	1	0	364.467	1.997	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+]C[C@H](O)Cn1cnc2cc(C)c(C)cc21	ZINC000819221065	943492864	/nfs/dbraw/zinc/49/28/64/943492864.db2.gz	AVETWIMVUZOHCE-HNNXBMFYSA-N	1	0	351.472	1.204	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1	ZINC000819222562	943495117	/nfs/dbraw/zinc/49/51/17/943495117.db2.gz	RYYVJVLVTLWKNH-ZDUSSCGKSA-N	1	0	353.362	1.809	20	30		FDEDRO
C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C[C@@H](O)CN(C)CCC#N	ZINC000819266127	943517576	/nfs/dbraw/zinc/51/75/76/943517576.db2.gz	WCORLXCRVHKIDG-BZUAXINKSA-N	1	0	354.495	1.428	20	30		FDEDRO
C[NH+]1CCC(O)(CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1	ZINC000819337251	943531939	/nfs/dbraw/zinc/53/19/39/943531939.db2.gz	OPCXQXABIUUGBF-AWEZNQCLSA-N	1	0	368.478	1.146	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+]C[C@H](O)COc1ccc(C#N)cc1	ZINC000819337315	943532073	/nfs/dbraw/zinc/53/20/73/943532073.db2.gz	MZAVWGWKXSXOBL-DZJNRPSUSA-N	1	0	373.453	1.753	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(-n3ccnc3)nn2)C1	ZINC001086828445	943592843	/nfs/dbraw/zinc/59/28/43/943592843.db2.gz	WHQYNAPUAADIEN-UONOGXRCSA-N	1	0	360.849	1.903	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N[C@H]1CCN(O)C1=O	ZINC000820157357	943919318	/nfs/dbraw/zinc/91/93/18/943919318.db2.gz	WHZNTVZKFMVBRN-HOCLYGCPSA-N	1	0	361.442	1.660	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1	ZINC001136322463	943994026	/nfs/dbraw/zinc/99/40/26/943994026.db2.gz	RKPXSXSCWGCGNB-UHFFFAOYSA-N	1	0	374.485	1.081	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=NOC)c2csc(N)n2)C1	ZINC000820521160	944079333	/nfs/dbraw/zinc/07/93/33/944079333.db2.gz	SQUMFIRFECRVPT-GFCCVEGCSA-N	1	0	369.491	1.035	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Cn1nc(C(F)(F)F)c2c1CCOC2	ZINC000820687808	944155931	/nfs/dbraw/zinc/15/59/31/944155931.db2.gz	ASDOCPQAYGUJBW-UHFFFAOYSA-N	1	0	358.364	1.046	20	30		FDEDRO
COC(=O)c1cn2c(cccc2NC(=[NH2+])c2ccc(C(=O)OC)cc2)n1	ZINC001170985717	944969018	/nfs/dbraw/zinc/96/90/18/944969018.db2.gz	WSYJDRZZNQVUJU-UHFFFAOYSA-N	1	0	352.350	1.945	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)NC[C@H]1CCC[N@H+](CC2CC2)C1	ZINC000856478236	971179556	/nfs/dbraw/zinc/17/95/56/971179556.db2.gz	YJPUAYHOKJXKAQ-AMGRQBIBSA-N	1	0	360.458	1.141	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)OC)c1	ZINC001136765090	945919005	/nfs/dbraw/zinc/91/90/05/945919005.db2.gz	BMSGRTPMOVYRDM-QGZVFWFLSA-N	1	0	373.453	1.911	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@H]1C	ZINC001090761402	946365047	/nfs/dbraw/zinc/36/50/47/946365047.db2.gz	RONATUAIAFJBCS-GHMZBOCLSA-N	1	0	355.895	1.951	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)F	ZINC000824550747	946532410	/nfs/dbraw/zinc/53/24/10/946532410.db2.gz	GBQNTRPQDRBPKY-UHFFFAOYSA-N	1	0	373.787	1.951	20	30		FDEDRO
C#CCN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CC[NH+](CCC(=C)C)CC1	ZINC001573282253	946689193	/nfs/dbraw/zinc/68/91/93/946689193.db2.gz	HODCVHLFGKLJAL-UHFFFAOYSA-N	1	0	367.457	1.701	20	30		FDEDRO
C#CCCCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573284804	946758165	/nfs/dbraw/zinc/75/81/65/946758165.db2.gz	MBRGIMDQZRCKRP-MRXNPFEDSA-N	1	0	352.442	1.703	20	30		FDEDRO
C#CCCCC(=O)N1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)[C@@H](C)C1	ZINC001573284833	946760094	/nfs/dbraw/zinc/76/00/94/946760094.db2.gz	MVDWRZXGQGJPCL-GUYCJALGSA-N	1	0	370.432	1.746	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CCCCNc1cc(C2C[NH2+]C2)nc(SC)n1	ZINC001171068462	946775275	/nfs/dbraw/zinc/77/52/75/946775275.db2.gz	YPGAJZWDYJFRTL-ZDUSSCGKSA-N	1	0	365.503	1.524	20	30		FDEDRO
C#CCCCC(=O)N1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1C	ZINC001573285648	946784763	/nfs/dbraw/zinc/78/47/63/946784763.db2.gz	ZZDWXFHJMAXEBU-DZGCQCFKSA-N	1	0	370.432	1.888	20	30		FDEDRO
C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000824600225	946853467	/nfs/dbraw/zinc/85/34/67/946853467.db2.gz	YJXSNHLKKWMXLS-NRYCMEERSA-N	1	0	353.386	1.044	20	30		FDEDRO
N#CC1(C(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CCSCC1	ZINC000824941427	946887869	/nfs/dbraw/zinc/88/78/69/946887869.db2.gz	NSGNJHBPFUQKRO-KRWDZBQOSA-N	1	0	359.495	1.906	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H](C)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)n1	ZINC001090811961	946942514	/nfs/dbraw/zinc/94/25/14/946942514.db2.gz	WBTLASUAGKERAF-UKRRQHHQSA-N	1	0	356.474	1.193	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)CC(C)(C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1	ZINC001573562132	946970344	/nfs/dbraw/zinc/97/03/44/946970344.db2.gz	QYVSFRPXEIHTRR-CYBMUJFWSA-N	1	0	355.446	1.601	20	30		FDEDRO
C=C(C)C[NH2+]Cc1ccc(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)cc1	ZINC001573294039	946975799	/nfs/dbraw/zinc/97/57/99/946975799.db2.gz	RXIHCNKIVYDYAE-UHFFFAOYSA-N	1	0	351.414	1.791	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C(C)(C)C1	ZINC001573294146	946979172	/nfs/dbraw/zinc/97/91/72/946979172.db2.gz	WIBICLITQSBUKR-HNNXBMFYSA-N	1	0	357.462	1.991	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC(C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1	ZINC001573564471	946994874	/nfs/dbraw/zinc/99/48/74/946994874.db2.gz	JCPNGDRLWFIYCF-GFCCVEGCSA-N	1	0	371.420	1.494	20	30		FDEDRO
C=C(Cl)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1	ZINC001573294674	946995038	/nfs/dbraw/zinc/99/50/38/946995038.db2.gz	GEYCDNVOBLWPQD-RYUDHWBXSA-N	1	0	363.853	1.778	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC(C)([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1	ZINC001573565362	947006672	/nfs/dbraw/zinc/00/66/72/947006672.db2.gz	QMENBELCXDLIMC-CYBMUJFWSA-N	1	0	353.430	1.497	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC2(C1)CC[NH+](Cc1ccc(-c3nn[nH]n3)s1)CC2	ZINC001573565745	947012301	/nfs/dbraw/zinc/01/23/01/947012301.db2.gz	VIUZLNWSRRAQKI-LBPRGKRZSA-N	1	0	371.470	1.512	20	30		FDEDRO
C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1	ZINC001573295341	947014914	/nfs/dbraw/zinc/01/49/14/947014914.db2.gz	PEHSXDFBIFMUMG-LBPRGKRZSA-N	1	0	363.853	1.731	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573567695	947052313	/nfs/dbraw/zinc/05/23/13/947052313.db2.gz	RAIBHEOEEHMNKX-CJNGLKHVSA-N	1	0	353.430	1.449	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C[C@@H]2C1	ZINC001573570033	947080636	/nfs/dbraw/zinc/08/06/36/947080636.db2.gz	IQIBRYBLSUYREN-TUKIKUTGSA-N	1	0	369.404	1.056	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@@H]2C1	ZINC001573570437	947089146	/nfs/dbraw/zinc/08/91/46/947089146.db2.gz	ORKHCNAQLSKFBG-FPMFFAJLSA-N	1	0	369.404	1.056	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@@]2(C)C1	ZINC001573571140	947099985	/nfs/dbraw/zinc/09/99/85/947099985.db2.gz	ZQTRFKCKQSGDKO-MUKKUYKPSA-N	1	0	365.441	1.307	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H]1CC12CC[NH+](Cc1ccc(-c3nn[nH]n3)s1)CC2	ZINC001573572021	947106378	/nfs/dbraw/zinc/10/63/78/947106378.db2.gz	CXSSMFMTWBMHQR-FZMZJTMJSA-N	1	0	371.470	1.559	20	30		FDEDRO
C[C@H](C#N)C(=O)NC1(C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCCC1	ZINC001573572502	947114368	/nfs/dbraw/zinc/11/43/68/947114368.db2.gz	JEBUUPJTQNKCNP-GFCCVEGCSA-N	1	0	371.420	1.684	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@]1(C)CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573575391	947138314	/nfs/dbraw/zinc/13/83/14/947138314.db2.gz	YISJVUFWLOCYJR-APPDUMDISA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573575392	947138328	/nfs/dbraw/zinc/13/83/28/947138328.db2.gz	YISJVUFWLOCYJR-DIFFPNOSSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CC1	ZINC001573576035	947147192	/nfs/dbraw/zinc/14/71/92/947147192.db2.gz	CVGMCIRZQZHQDQ-BONVTDFDSA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CC1(C)C	ZINC001573576209	947150339	/nfs/dbraw/zinc/15/03/39/947150339.db2.gz	FDIHMJUHURPNAW-GXFFZTMASA-N	1	0	359.459	1.414	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)[C@H](C)C#N)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F	ZINC001573576307	947152202	/nfs/dbraw/zinc/15/22/02/947152202.db2.gz	GUFCHFNWUDTONH-IAQYHMDHSA-N	1	0	359.409	1.396	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC1([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCC1	ZINC001573576697	947156652	/nfs/dbraw/zinc/15/66/52/947156652.db2.gz	IZXNUYRXONKBQR-NSHDSACASA-N	1	0	357.393	1.294	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001573305856	947162969	/nfs/dbraw/zinc/16/29/69/947162969.db2.gz	GSVWUHFQXAOBID-KSSFIOAISA-N	1	0	358.446	1.036	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)NC[C@@H](CC)Nc1cc(C)[nH+]cc1-c1nn[nH]n1	ZINC001573306259	947169876	/nfs/dbraw/zinc/16/98/76/947169876.db2.gz	JCINUEFBONTSGJ-ACJLOTCBSA-N	1	0	357.462	1.901	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CC1	ZINC001573577550	947170207	/nfs/dbraw/zinc/17/02/07/947170207.db2.gz	RCNRZDLGBSMSBS-BMIGLBTASA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC[N@H+](Cc1cc(F)ccc1-c1nn[nH]n1)C1CC1	ZINC001573582533	947191753	/nfs/dbraw/zinc/19/17/53/947191753.db2.gz	FFMHZXJEICMYKO-LLVKDONJSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1	ZINC001573583436	947202756	/nfs/dbraw/zinc/20/27/56/947202756.db2.gz	LUCJXBMHEPUUTB-LBPRGKRZSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573584249	947215587	/nfs/dbraw/zinc/21/55/87/947215587.db2.gz	RXKMUJZRZXRQGU-WCQYABFASA-N	1	0	357.393	1.104	20	30		FDEDRO
CC(C)[C@@H](CCNC(=O)[C@H](C)C#N)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F	ZINC001573584438	947221850	/nfs/dbraw/zinc/22/18/50/947221850.db2.gz	VZFGLSBCORPKAL-MLGOLLRUSA-N	1	0	373.436	1.786	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCCC1(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1	ZINC001573584388	947222080	/nfs/dbraw/zinc/22/20/80/947222080.db2.gz	VBOVMQZKWUSGJL-ZDUSSCGKSA-N	1	0	353.430	1.402	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573584684	947230849	/nfs/dbraw/zinc/23/08/49/947230849.db2.gz	BPQBIUXCTBWNBJ-MJVIPROJSA-N	1	0	357.393	1.150	20	30		FDEDRO
C=CCC1(C(=O)NCC[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCC1	ZINC001573325362	947357903	/nfs/dbraw/zinc/35/79/03/947357903.db2.gz	AYDYZLWNEKSTEU-UHFFFAOYSA-N	1	0	358.421	1.958	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@](C)(O)C2CC2)C[C@H]1c1ccc(OC)cc1	ZINC001090869288	947383839	/nfs/dbraw/zinc/38/38/39/947383839.db2.gz	VNPBKPYVYOVNNK-QKNQBKEWSA-N	1	0	356.466	1.764	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1c1ccc(OC)cc1	ZINC001090871181	947424955	/nfs/dbraw/zinc/42/49/55/947424955.db2.gz	WIIRHSCVRHTIJN-DLBZAZTESA-N	1	0	355.442	1.395	20	30		FDEDRO
C=CCCCCC[NH+]1CC([C@@H](C)NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1	ZINC001573334247	947452319	/nfs/dbraw/zinc/45/23/19/947452319.db2.gz	BUYIYZKYZCUJQB-CYBMUJFWSA-N	1	0	357.462	1.991	20	30		FDEDRO
C=CCCCC(=O)N1CC[C@@H](C)[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573334385	947453969	/nfs/dbraw/zinc/45/39/69/947453969.db2.gz	MPPDTNJSOVGKQF-CABCVRRESA-N	1	0	369.473	1.936	20	30		FDEDRO
C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573335518	947480138	/nfs/dbraw/zinc/48/01/38/947480138.db2.gz	QHHUWWNJWNJVNQ-AWEZNQCLSA-N	1	0	357.462	1.991	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC(=O)NC2)C[C@H]1c1ccc(OC)cc1	ZINC001090874213	947523356	/nfs/dbraw/zinc/52/33/56/947523356.db2.gz	GEYMCJXUANPNGJ-ZYSHUDEJSA-N	1	0	371.481	1.682	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cncs2)C[C@H]1c1ccc(OC)cc1	ZINC001090874347	947524907	/nfs/dbraw/zinc/52/49/07/947524907.db2.gz	HPTSPOCTAVQCFS-ZWKOTPCHSA-N	1	0	355.463	1.912	20	30		FDEDRO
C=CCOCC(=O)N1CCC([N@H+](C)Cc2ccccc2-c2nn[nH]n2)CC1	ZINC001573343377	947557912	/nfs/dbraw/zinc/55/79/12/947557912.db2.gz	OEWQRGYGUQPTQJ-UHFFFAOYSA-N	1	0	370.457	1.492	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2NCC#N)cc1	ZINC001090880616	947592754	/nfs/dbraw/zinc/59/27/54/947592754.db2.gz	BHDLVASHHFMCSG-RBUKOAKNSA-N	1	0	370.497	1.835	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCC(=O)N2)C[C@H]1c1ccc(OC)cc1	ZINC001090881081	947598861	/nfs/dbraw/zinc/59/88/61/947598861.db2.gz	YQDDEMGYYFWIHD-GBESFXJTSA-N	1	0	369.465	1.271	20	30		FDEDRO
CC#CCCCC(=O)N(C)CCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1	ZINC001573358878	947672491	/nfs/dbraw/zinc/67/24/91/947672491.db2.gz	KVRTYNOIOWUGJA-UHFFFAOYSA-N	1	0	354.458	1.998	20	30		FDEDRO
CC#CCCCC(=O)N(C)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573359443	947685338	/nfs/dbraw/zinc/68/53/38/947685338.db2.gz	TWDGICZRVCDSFT-UHFFFAOYSA-N	1	0	353.430	1.279	20	30		FDEDRO
CO[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H]1NC(=O)C[N@H+](C)C(C)C	ZINC001090892285	947745492	/nfs/dbraw/zinc/74/54/92/947745492.db2.gz	GQIJICHDHNIDGY-VXGBXAGGSA-N	1	0	371.894	1.328	20	30		FDEDRO
CO[C@@H]1CN(c2cc(C)ncc2C#N)C[C@H]1NC(=O)CC[NH+]1CCCCC1	ZINC001090892335	947746587	/nfs/dbraw/zinc/74/65/87/947746587.db2.gz	ILCRGFUFLMMFPC-IEBWSBKVSA-N	1	0	371.485	1.458	20	30		FDEDRO
CO[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)[C@H](C(C)C)[NH+]1CCCC1	ZINC001090892356	947746688	/nfs/dbraw/zinc/74/66/88/947746688.db2.gz	JLHNVOVKLAWLJN-KURKYZTESA-N	1	0	371.485	1.393	20	30		FDEDRO
CC[NH+](CC)CC(=O)N[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@H]1OC	ZINC001090896068	947803329	/nfs/dbraw/zinc/80/33/29/947803329.db2.gz	OXKOOJKXZVWRDM-HUUCEWRRSA-N	1	0	365.865	1.268	20	30		FDEDRO
C[C@H](Sc1ncccc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)C(=O)N1CCCC1	ZINC000844195012	947819306	/nfs/dbraw/zinc/81/93/06/947819306.db2.gz	PASRNMFVKWTLRT-YDHLFZDLSA-N	1	0	373.482	1.026	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC([C@@H](O)c3ccnn3C)CC2)CC1	ZINC000856859188	971436370	/nfs/dbraw/zinc/43/63/70/971436370.db2.gz	GFACZQLMXDSAGY-GOSISDBHSA-N	1	0	361.490	1.526	20	30		FDEDRO
CO[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1	ZINC001090926291	947942354	/nfs/dbraw/zinc/94/23/54/947942354.db2.gz	KGFAMANGTNODJC-SJLPKXTDSA-N	1	0	371.485	1.538	20	30		FDEDRO
C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H](O)c1cccc(C#N)c1	ZINC000844372397	948001583	/nfs/dbraw/zinc/00/15/83/948001583.db2.gz	YAWNFRDYBPAZKO-FUHWJXTLSA-N	1	0	371.393	1.872	20	30		FDEDRO
CN(CC(=O)NC1CC[NH+](C2CC2)CC1)C[C@H](O)c1cccc(C#N)c1	ZINC000844368770	948019419	/nfs/dbraw/zinc/01/94/19/948019419.db2.gz	GVSTUETUJPIVSO-IBGZPJMESA-N	1	0	356.470	1.266	20	30		FDEDRO
O=C(CCS)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2	ZINC001143979060	948088804	/nfs/dbraw/zinc/08/88/04/948088804.db2.gz	NMWQRYPVHZSEFP-UHFFFAOYSA-N	1	0	357.483	1.686	20	30		FDEDRO
N#Cc1cncc(C[N@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCCCO4)[C@@H]3C2)c1	ZINC001144079702	948198932	/nfs/dbraw/zinc/19/89/32/948198932.db2.gz	DBAFSDTYYZLIDQ-QRVBRYPASA-N	1	0	370.453	1.592	20	30		FDEDRO
N#Cc1cncc(CN2CCCn3c(=O)cc(C[NH+]4CCCC4)nc3C2)c1	ZINC001144080117	948200370	/nfs/dbraw/zinc/20/03/70/948200370.db2.gz	WABLGFOLJMGQEU-UHFFFAOYSA-N	1	0	364.453	1.512	20	30		FDEDRO
C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1Nc1ncc(C#N)cc1Cl	ZINC001090988629	948247374	/nfs/dbraw/zinc/24/73/74/948247374.db2.gz	BFJWGUIPGYZTSN-IUODEOHRSA-N	1	0	365.865	1.444	20	30		FDEDRO
COc1cc(CNC(=O)c2cc(C#N)ccn2)ccc1OCC[NH+](C)C	ZINC001144164991	948284840	/nfs/dbraw/zinc/28/48/40/948284840.db2.gz	VWYGCTVGABKHCH-UHFFFAOYSA-N	1	0	354.410	1.832	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CCc3ncnc(N4CCOCC4)c3CC2)nc1	ZINC001144157527	948299435	/nfs/dbraw/zinc/29/94/35/948299435.db2.gz	NCCYIYOBHSPIJM-UHFFFAOYSA-N	1	0	350.426	1.181	20	30		FDEDRO
C[C@@H]1c2ncc(CN3CC[NH+](C)CC3)n2CCN1Cc1ccc(C#N)cn1	ZINC001144158368	948301655	/nfs/dbraw/zinc/30/16/55/948301655.db2.gz	CYFSOHZKMCNJGP-MRXNPFEDSA-N	1	0	365.485	1.474	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCC[C@]3(CO[C@@H](C(=O)N4CCOCC4)C3)C2)nc1	ZINC001144160431	948305691	/nfs/dbraw/zinc/30/56/91/948305691.db2.gz	KCSNBLWLTZEEED-UYAOXDASSA-N	1	0	370.453	1.183	20	30		FDEDRO
N#Cc1cccn(CN2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)c1=O	ZINC000844729472	948337804	/nfs/dbraw/zinc/33/78/04/948337804.db2.gz	NAUIZGXPENBGPO-UXHICEINSA-N	1	0	364.449	1.653	20	30		FDEDRO
C=C(C(=O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1)C(F)(F)F	ZINC001144201325	948371846	/nfs/dbraw/zinc/37/18/46/948371846.db2.gz	BVLCLZLVOQGHTL-UHFFFAOYSA-N	1	0	353.304	1.762	20	30		FDEDRO
COC(=O)NC(C)(C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000845003882	948583709	/nfs/dbraw/zinc/58/37/09/948583709.db2.gz	VIMJELRILZGQFW-UHFFFAOYSA-N	1	0	358.442	1.773	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2C(F)(F)F)C1	ZINC001196152509	971506359	/nfs/dbraw/zinc/50/63/59/971506359.db2.gz	VOOQWZPUAUQCKE-YUSALJHKSA-N	1	0	360.380	1.867	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c(C)ncc3C2)C1	ZINC001196167682	971517054	/nfs/dbraw/zinc/51/70/54/971517054.db2.gz	FOVYFKLZMCMMNR-BHIYHBOVSA-N	1	0	362.518	1.886	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(C#N)CCSC1	ZINC000845358775	949056476	/nfs/dbraw/zinc/05/64/76/949056476.db2.gz	DREVREJDHMUAMU-WBMJQRKESA-N	1	0	356.492	1.347	20	30		FDEDRO
CC[C@@H](C(=O)N[C@@H]1CN(CC#Cc2cccc(Cl)c2)C[C@H]1O)[NH+](C)C	ZINC001196268040	971581602	/nfs/dbraw/zinc/58/16/02/971581602.db2.gz	OESHHMHUZVDVFL-FGTMMUONSA-N	1	0	363.889	1.193	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1	ZINC001576168425	949634648	/nfs/dbraw/zinc/63/46/48/949634648.db2.gz	UGMAOOSOHQVCPX-UONOGXRCSA-N	1	0	367.461	1.619	20	30		FDEDRO
C=C[C@@H](C)ONC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1	ZINC000845633341	949715510	/nfs/dbraw/zinc/71/55/10/949715510.db2.gz	PAHIBXIIKMEFDR-CQSZACIVSA-N	1	0	354.495	1.618	20	30		FDEDRO
CC[C@@H](C(=O)N[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@@H]1O)[NH+](CC)CC	ZINC001091180118	950261018	/nfs/dbraw/zinc/26/10/18/950261018.db2.gz	BMFYRXFDDHUMQR-IKGGRYGDSA-N	1	0	359.474	1.048	20	30		FDEDRO
CCN(CCC#N)CN1C(=O)NC2(CC[NH+](Cc3ccccc3)CC2)C1=O	ZINC000857231615	971662232	/nfs/dbraw/zinc/66/22/32/971662232.db2.gz	PNJSOWKQKFFLIQ-UHFFFAOYSA-N	1	0	369.469	1.766	20	30		FDEDRO
Cc1cc(N2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)c(C#N)cn1	ZINC001091215552	950986514	/nfs/dbraw/zinc/98/65/14/950986514.db2.gz	KXJJTEFNMHOLRT-LPHOPBHVSA-N	1	0	371.485	1.267	20	30		FDEDRO
C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCC[C@H](C(=O)NC(C)C)C2)c1	ZINC001196489350	971710079	/nfs/dbraw/zinc/71/00/79/971710079.db2.gz	OGFOSKHLOLJVIT-INIZCTEOSA-N	1	0	370.453	1.553	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(CCC)C2)C1	ZINC001196460820	971717121	/nfs/dbraw/zinc/71/71/21/971717121.db2.gz	LXGNDLWNRLORPT-GVDBMIGSSA-N	1	0	351.491	1.153	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)cc1	ZINC001571004699	951155742	/nfs/dbraw/zinc/15/57/42/951155742.db2.gz	PBOSOIZXNFEUOS-HNNXBMFYSA-N	1	0	362.397	1.071	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(C#N)cn1	ZINC001091258822	951233101	/nfs/dbraw/zinc/23/31/01/951233101.db2.gz	GXWBVGZFYACYCO-CGTJXYLNSA-N	1	0	371.485	1.761	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)Cc2ccccc2Cl)C1	ZINC001196518883	971729483	/nfs/dbraw/zinc/72/94/83/971729483.db2.gz	FSVHINQYRRJFCF-ZTFGCOKTSA-N	1	0	366.889	1.883	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(N3CCOCC3)CCCC2)C1	ZINC001196519856	971730743	/nfs/dbraw/zinc/73/07/43/971730743.db2.gz	VJGWHXAOCZLVSC-KZNAEPCWSA-N	1	0	365.518	1.147	20	30		FDEDRO
C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@H](NC(=O)N2CCOCC2)C1	ZINC001171231901	951274473	/nfs/dbraw/zinc/27/44/73/951274473.db2.gz	NMXGMFRLFAZUIY-APWZRJJASA-N	1	0	356.470	1.995	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2cn(C(C)C)nn2)C1	ZINC001091278305	951293520	/nfs/dbraw/zinc/29/35/20/951293520.db2.gz	NTRTWANVIKMLMP-RLNQZENFSA-N	1	0	361.490	1.825	20	30		FDEDRO
Cc1cc(N[C@@H]2CCCC[C@H]2NC(=O)C2(C[NH+](C)C)CC2)c(C#N)cn1	ZINC001091289927	951328003	/nfs/dbraw/zinc/32/80/03/951328003.db2.gz	ORPODDSTAPAETC-IAGOWNOFSA-N	1	0	355.486	1.865	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H]3CCCO[C@H]3C=C)c2)C1	ZINC001091401301	951579013	/nfs/dbraw/zinc/57/90/13/951579013.db2.gz	XXZAPTFFCYIPEC-AQNXPRMDSA-N	1	0	369.465	1.765	20	30		FDEDRO
N=C(Nc1cncc([C@@H]2C[NH+]3CCC2CC3)n1)c1ccc(C(N)=O)cc1	ZINC001171255541	951649135	/nfs/dbraw/zinc/64/91/35/951649135.db2.gz	BVNNBBAXNUVOKR-OAHLLOKOSA-N	1	0	350.426	1.422	20	30		FDEDRO
C#C[C@@H]1CCC[N@@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1	ZINC000847020708	951774503	/nfs/dbraw/zinc/77/45/03/951774503.db2.gz	DBDSWGWMYIPQTN-IAGOWNOFSA-N	1	0	356.495	1.802	20	30		FDEDRO
C#C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)C1	ZINC000847022254	951776299	/nfs/dbraw/zinc/77/62/99/951776299.db2.gz	SUHALVKICSLCOP-RBUKOAKNSA-N	1	0	369.509	1.869	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2C[N@H+](Cc3cc(-c4cnn(C)c4)no3)C[C@@]2(C)C1	ZINC001091543056	951978294	/nfs/dbraw/zinc/97/82/94/951978294.db2.gz	AQYRHNNDTQZYSV-MUKKUYKPSA-N	1	0	368.441	1.515	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C(=O)N(C)C)cc3)C[C@@]2(C)C1	ZINC001091544713	951983492	/nfs/dbraw/zinc/98/34/92/951983492.db2.gz	FYFCKRJCHSSSMJ-KLHJMIIUSA-N	1	0	368.481	1.828	20	30		FDEDRO
C[C@]12CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]1C[N@H+](C[C@H]1CCNC(=O)CC1)C2	ZINC001091574735	952111701	/nfs/dbraw/zinc/11/17/01/952111701.db2.gz	PDKZCJQTMIWAMI-KKVAFCGZSA-N	1	0	369.469	1.197	20	30		FDEDRO
N#Cc1cnccc1N[C@@H]1CC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1	ZINC001091581524	952136120	/nfs/dbraw/zinc/13/61/20/952136120.db2.gz	WIRPJVYCTNDJOZ-FUHWJXTLSA-N	1	0	355.486	1.948	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001571084287	952188396	/nfs/dbraw/zinc/18/83/96/952188396.db2.gz	GHSSTKQBNNQWNG-TZMCWYRMSA-N	1	0	371.420	1.446	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001571085078	952194686	/nfs/dbraw/zinc/19/46/86/952194686.db2.gz	OCGJRJDMSZKIPW-CHWSQXEVSA-N	1	0	371.420	1.494	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cn(C)nc2C)C1	ZINC001196624601	971820814	/nfs/dbraw/zinc/82/08/14/971820814.db2.gz	ZQELGLDVTMUTIE-QZTJIDSGSA-N	1	0	350.507	1.793	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4coc(C)n4)C[C@]3(C)C2)C1=O	ZINC001091620420	952335029	/nfs/dbraw/zinc/33/50/29/952335029.db2.gz	ABIFQQZKEWKLLJ-ALKREAHSSA-N	1	0	358.442	1.164	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)/C=C\c4ccc[nH]4)C[C@]3(C)C2)C1=O	ZINC001091625510	952353337	/nfs/dbraw/zinc/35/33/37/952353337.db2.gz	XHZBGUMDJANCQO-CRNLENRWSA-N	1	0	368.481	1.595	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)C1	ZINC001147590701	952449001	/nfs/dbraw/zinc/44/90/01/952449001.db2.gz	QDRYJCXTWNVQKG-XWTMOSNGSA-N	1	0	355.482	1.261	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)C4CC(C)(C)C4)C[C@]3(C)C2)C1=O	ZINC001091641746	952457017	/nfs/dbraw/zinc/45/70/17/952457017.db2.gz	CXEYMOHDDNUPSQ-LZJOCLMNSA-N	1	0	359.514	1.990	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[C@@H](Nc2ccnc(C#N)n2)C1	ZINC001091646871	952485609	/nfs/dbraw/zinc/48/56/09/952485609.db2.gz	YTPBPDDEBNIGMY-ARFHVFGLSA-N	1	0	356.474	1.341	20	30		FDEDRO
CCn1nncc1C(=O)N1C[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@@]2(C)C1	ZINC001091650388	952498640	/nfs/dbraw/zinc/49/86/40/952498640.db2.gz	DRLUYYXGFCQDIB-NQIIRXRSSA-N	1	0	363.465	1.744	20	30		FDEDRO
CC(C)(C)N1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]3(C)C2)C1=O	ZINC001091659515	952519795	/nfs/dbraw/zinc/51/97/95/952519795.db2.gz	MFMHXJAOSBCXJN-WWMYMODYSA-N	1	0	357.498	1.580	20	30		FDEDRO
Cc1cc2ncc([C@H](C)[NH2+]CCNC(=O)C3N=CC=CC3=O)c(C)n2n1	ZINC000772984026	952523965	/nfs/dbraw/zinc/52/39/65/952523965.db2.gz	MEOYMIHOMXDXBK-GHXQLAGASA-N	1	0	354.414	1.523	20	30		FDEDRO
C=CCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C2)C1	ZINC001147787773	952529437	/nfs/dbraw/zinc/52/94/37/952529437.db2.gz	GQIQZDNIANYOGV-KGLIPLIRSA-N	1	0	362.392	1.833	20	30		FDEDRO
C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000772986456	952604244	/nfs/dbraw/zinc/60/42/44/952604244.db2.gz	WGFABHPJYPWLDK-LTFJSZEESA-N	1	0	357.410	1.852	20	30		FDEDRO
C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000772986454	952604426	/nfs/dbraw/zinc/60/44/26/952604426.db2.gz	WGFABHPJYPWLDK-HVCBDAARSA-N	1	0	357.410	1.852	20	30		FDEDRO
C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CN(c4ccccn4)C[C@H]3C)C[C@]2(C)C1	ZINC001091678824	952610371	/nfs/dbraw/zinc/61/03/71/952610371.db2.gz	OWWDTRFWUSJENI-IKVWTGGYSA-N	1	0	352.482	1.567	20	30		FDEDRO
C=CCN1CC[C@@H](N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2nccs2)C3)C1=O	ZINC001110121361	952669050	/nfs/dbraw/zinc/66/90/50/952669050.db2.gz	WKBQAEMOWUCZLI-FXUDXRNXSA-N	1	0	374.510	1.584	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCn2cncn2)C1	ZINC001086849433	952756200	/nfs/dbraw/zinc/75/62/00/952756200.db2.gz	HXFGKYDFPUNNNK-JKSUJKDBSA-N	1	0	370.457	1.426	20	30		FDEDRO
CC[NH+](CC)C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2C#N)CCO1	ZINC001196676664	971862826	/nfs/dbraw/zinc/86/28/26/971862826.db2.gz	UFTFARBRCCJEMG-OAHLLOKOSA-N	1	0	371.890	1.943	20	30		FDEDRO
Cc1cc(C)cc([C@@H](O)CNC(=[NH2+])N2CCN(c3ncccn3)CC2)c1	ZINC000282733538	952851847	/nfs/dbraw/zinc/85/18/47/952851847.db2.gz	XHNSXGKNBGJSMI-KRWDZBQOSA-N	1	0	354.458	1.264	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nonc2C)C1	ZINC001086856514	952902837	/nfs/dbraw/zinc/90/28/37/952902837.db2.gz	DVOMQYUPXLGAHR-LSDHHAIUSA-N	1	0	369.425	1.473	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCCC3)C2)cn1	ZINC001086857287	952904383	/nfs/dbraw/zinc/90/43/83/952904383.db2.gz	UZZAYMUYQWOSCO-QFBILLFUSA-N	1	0	368.481	1.564	20	30		FDEDRO
Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1cnn(C)c1	ZINC001086978784	952991349	/nfs/dbraw/zinc/99/13/49/952991349.db2.gz	QEBUAWDNARRIJP-PKOBYXMFSA-N	1	0	364.453	1.016	20	30		FDEDRO
Cc1csc(C[NH2+][C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2c2cnn(C)c2)n1	ZINC001086978941	952991731	/nfs/dbraw/zinc/99/17/31/952991731.db2.gz	ZLBAXOSVPPILOR-DLBZAZTESA-N	1	0	369.494	1.683	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[C@H]2CCCCO2)C[C@H]1c1cnn(C)c1	ZINC001086979043	952991823	/nfs/dbraw/zinc/99/18/23/952991823.db2.gz	GCKDNSUPDGBTIA-RCCFBDPRSA-N	1	0	358.486	1.533	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3cn[nH]c32)C[C@H]1c1cnn(C)c1	ZINC001086979368	952992545	/nfs/dbraw/zinc/99/25/45/952992545.db2.gz	XEULHMZLQAPZCK-OKZBNKHCSA-N	1	0	368.485	1.723	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC(C)C)C1	ZINC001086979467	952993118	/nfs/dbraw/zinc/99/31/18/952993118.db2.gz	AQPZLUSRZYFGPQ-HCXYKTFWSA-N	1	0	360.502	1.941	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ncn3ccc(C)cc23)C[C@H]1c1cnn(C)c1	ZINC001086985670	953003092	/nfs/dbraw/zinc/00/30/92/953003092.db2.gz	XTPYLSIADDCZLJ-DLBZAZTESA-N	1	0	364.453	1.760	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccc(OC)nc2)C[C@H]1c1cnn(C)c1	ZINC001086986660	953007275	/nfs/dbraw/zinc/00/72/75/953007275.db2.gz	AXWBNDPPFKPXDZ-DLBZAZTESA-N	1	0	355.442	1.598	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2-c2ccoc2)C[C@H]1c1cnn(C)c1	ZINC001086988650	953012709	/nfs/dbraw/zinc/01/27/09/953012709.db2.gz	KBFPZFIFHMWINQ-DLBZAZTESA-N	1	0	366.425	1.787	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2nccc3occc32)C[C@H]1c1cnn(C)c1	ZINC001086989060	953013247	/nfs/dbraw/zinc/01/32/47/953013247.db2.gz	GFEKLLFNUKBTAO-JKSUJKDBSA-N	1	0	351.410	1.945	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(OC)ccn2)C[C@H]1c1cnn(C)c1	ZINC001086990518	953017986	/nfs/dbraw/zinc/01/79/86/953017986.db2.gz	GSMXPPMYPFBZRO-FUHWJXTLSA-N	1	0	355.442	1.598	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCCC2(F)F)C[C@H]1c1cnn(C)c1	ZINC001086993141	953026097	/nfs/dbraw/zinc/02/60/97/953026097.db2.gz	IQGWQBUOUPSQHC-OWCLPIDISA-N	1	0	350.413	1.763	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1O	ZINC001196691883	971890420	/nfs/dbraw/zinc/89/04/20/971890420.db2.gz	MOVPHPGYJOJSLA-BRWVUGGUSA-N	1	0	353.507	1.445	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1O	ZINC001196692020	971892093	/nfs/dbraw/zinc/89/20/93/971892093.db2.gz	QTGIKNBZUFGEKX-GUDVDZBRSA-N	1	0	365.518	1.589	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cccn3ccnc23)C[C@H]1c1cnn(C)c1	ZINC001087001287	953054595	/nfs/dbraw/zinc/05/45/95/953054595.db2.gz	MTZVVEZMTXGAIE-ZWKOTPCHSA-N	1	0	364.453	1.842	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCF)C1	ZINC001087001485	953055579	/nfs/dbraw/zinc/05/55/79/953055579.db2.gz	XKESYPPGSNZJCR-FJIDUMEYSA-N	1	0	364.465	1.645	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccc(OC)c2OC)C[C@H]1c1cnn(C)c1	ZINC001087007183	953092420	/nfs/dbraw/zinc/09/24/20/953092420.db2.gz	RHEKOKTZXQXJQK-DLBZAZTESA-N	1	0	370.453	1.821	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3nccnc3c2)C[C@H]1c1cnn(C)c1	ZINC001087008765	953096152	/nfs/dbraw/zinc/09/61/52/953096152.db2.gz	XDAUSKFRDDZKIP-QFBILLFUSA-N	1	0	362.437	1.747	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2c(C)n[nH]c2C)C[C@H]1c1cnn(C)c1	ZINC001087008860	953096207	/nfs/dbraw/zinc/09/62/07/953096207.db2.gz	ASASMXMCZZRQJO-RBUKOAKNSA-N	1	0	370.501	1.853	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)OCCO3)C[C@H]1c1cnn(C)c1	ZINC001087009239	953097138	/nfs/dbraw/zinc/09/71/38/953097138.db2.gz	XCDNQHNKAFSAHI-DLBZAZTESA-N	1	0	368.437	1.575	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH]nc3C2)C[C@H]1c1cnn(C)c1	ZINC001087010093	953100578	/nfs/dbraw/zinc/10/05/78/953100578.db2.gz	LFGNNLSKMIKHPC-UCLAIMLFSA-N	1	0	368.485	1.408	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)n2c(C)ccc2C)C[C@H]1c1cnn(C)c1	ZINC001087010768	953102258	/nfs/dbraw/zinc/10/22/58/953102258.db2.gz	QECMNRSSGAWSST-NZSAHSFTSA-N	1	0	353.470	1.617	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CN(C)c2ccccc2)C[C@H]1c1cnn(C)c1	ZINC001087011774	953104925	/nfs/dbraw/zinc/10/49/25/953104925.db2.gz	OMGUVPHLOYYADT-RBUKOAKNSA-N	1	0	351.454	1.074	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)OC)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001087031438	953127800	/nfs/dbraw/zinc/12/78/00/953127800.db2.gz	BLDWNBAXKILZBT-MZMPZRCHSA-N	1	0	363.433	1.685	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001087035487	953145307	/nfs/dbraw/zinc/14/53/07/953145307.db2.gz	BYCSOZWJMMLCKO-SZVBFZGTSA-N	1	0	370.453	1.702	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1ccncc1Cl	ZINC001087035638	953145726	/nfs/dbraw/zinc/14/57/26/953145726.db2.gz	IIXAHCFPXYVIAB-JGGQBBKZSA-N	1	0	350.850	1.848	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1csc(COC)n1	ZINC001087036021	953146171	/nfs/dbraw/zinc/14/61/71/953146171.db2.gz	VPDNSQSWDZYAJT-GZBFAFLISA-N	1	0	366.487	1.402	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001087036109	953146839	/nfs/dbraw/zinc/14/68/39/953146839.db2.gz	YUPFSYFSRBKZLW-FDQGKXFDSA-N	1	0	358.417	1.810	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1nnc(C(C)C)n1C	ZINC001087036128	953146859	/nfs/dbraw/zinc/14/68/59/953146859.db2.gz	ZIVZAHJSERAJNE-RBSFLKMASA-N	1	0	362.478	1.051	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1cnc(C)cn1	ZINC001087040248	953157288	/nfs/dbraw/zinc/15/72/88/953157288.db2.gz	YTBBJJOPVPIFME-CRAIPNDOSA-N	1	0	368.441	1.252	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](O)C(C)C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087050742	953179217	/nfs/dbraw/zinc/17/92/17/953179217.db2.gz	QVQHNOGDNXAXNX-GUDVDZBRSA-N	1	0	359.470	1.528	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1cc2n(n1)CCCC2	ZINC001087053033	953184698	/nfs/dbraw/zinc/18/46/98/953184698.db2.gz	WIAHTXHUBOAXQA-YLJYHZDGSA-N	1	0	370.497	1.586	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2n[nH]cc2C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087053200	953185356	/nfs/dbraw/zinc/18/53/56/953185356.db2.gz	BUDRXBVLZHYCLT-QZTJIDSGSA-N	1	0	367.453	1.857	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1cc(OC)ns1	ZINC001087053203	953185420	/nfs/dbraw/zinc/18/54/20/953185420.db2.gz	BYSHKRMXRHMJGV-GDBMZVCRSA-N	1	0	363.483	1.518	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]CC1CC(F)(F)C1	ZINC001087046039	953193293	/nfs/dbraw/zinc/19/32/93/953193293.db2.gz	HBALSJTZKUSJKF-CZUORRHYSA-N	1	0	366.412	1.998	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1cc(C)ncn1	ZINC001087047143	953195976	/nfs/dbraw/zinc/19/59/76/953195976.db2.gz	VLLFUVXKESWCEO-CRAIPNDOSA-N	1	0	368.441	1.252	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)n2CC)[C@H](OCC)C1	ZINC001087072456	953227009	/nfs/dbraw/zinc/22/70/09/953227009.db2.gz	ITCVBOBWVSXDQC-HZPDHXFCSA-N	1	0	363.506	1.772	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]Cc3cnnn3CC)[C@H](OCC)C2)C1	ZINC001087082516	953241039	/nfs/dbraw/zinc/24/10/39/953241039.db2.gz	OWHGIRKZXUVROX-NVXWUHKLSA-N	1	0	361.490	1.607	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nccs2)[C@H](OCC)C1	ZINC001087085445	953246713	/nfs/dbraw/zinc/24/67/13/953246713.db2.gz	FLFRGGPFOVUCLS-LVQVYYBASA-N	1	0	365.499	1.687	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087087430	953249257	/nfs/dbraw/zinc/24/92/57/953249257.db2.gz	JGLBTGUOPZPBEN-RTBURBONSA-N	1	0	365.437	1.615	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)COCC[NH+](C)C)CCN1c1cccc(F)c1C#N	ZINC001091793014	953315609	/nfs/dbraw/zinc/31/56/09/953315609.db2.gz	IRDCVPRJUBFLBE-DLBZAZTESA-N	1	0	362.449	1.749	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)CCN1c1nc(C)cc(C#N)n1	ZINC001091807322	953338004	/nfs/dbraw/zinc/33/80/04/953338004.db2.gz	YOWCBLWCQCVTOL-BBWFWOEESA-N	1	0	356.474	1.470	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)c3cn4c(n3)C[C@@H](OC)CC4)C[C@]2(C)C1	ZINC001091779982	953355310	/nfs/dbraw/zinc/35/53/10/953355310.db2.gz	RYLWAYIGXZWTJG-GUXCAODWSA-N	1	0	358.486	1.814	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cnc4sccn4c3=O)C[C@]2(C)C1	ZINC001091833338	953382373	/nfs/dbraw/zinc/38/23/73/953382373.db2.gz	SAGPCEYBSKRECY-ACJLOTCBSA-N	1	0	356.451	1.173	20	30		FDEDRO
C[N@@H+]1CCCN(CCNC(=O)c2cc(-c3cccc(C#N)c3)on2)CC1	ZINC001196774999	971926932	/nfs/dbraw/zinc/92/69/32/971926932.db2.gz	PCEJTOPIJUGKQI-UHFFFAOYSA-N	1	0	353.426	1.581	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CCN1c1cncc(C#N)n1	ZINC001091826041	953500273	/nfs/dbraw/zinc/50/02/73/953500273.db2.gz	AYUJPCRHTWZKPU-JKSUJKDBSA-N	1	0	358.490	1.800	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3cn(C)nc3[C@H]3CCOC3)C[C@]2(C)C1	ZINC001091886854	953529548	/nfs/dbraw/zinc/52/95/48/953529548.db2.gz	CWQOCGGQHXXCEB-YRNRMSPPSA-N	1	0	358.486	1.894	20	30		FDEDRO
Cc1cc(C#N)nc(N2CC[C@@H]3CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]3C2)n1	ZINC001091855254	953551463	/nfs/dbraw/zinc/55/14/63/953551463.db2.gz	SOZMSNDHFGNLOW-CVEARBPZSA-N	1	0	356.474	1.282	20	30		FDEDRO
Cc1nsc(N2CC[C@@H]3CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]3C2)c1C#N	ZINC001091855255	953551830	/nfs/dbraw/zinc/55/18/30/953551830.db2.gz	SRJBICZCEOQIHQ-CABCVRRESA-N	1	0	361.515	1.948	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N1C[C@H]2CCN(c3nccnc3C#N)C[C@H]2C1	ZINC001091856969	953566158	/nfs/dbraw/zinc/56/61/58/953566158.db2.gz	RIBKMQCSAARQEP-CVEARBPZSA-N	1	0	356.474	1.365	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1C[C@H]2CCN(c3nc(C)cc(C#N)n3)C[C@H]2C1	ZINC001091859813	953580199	/nfs/dbraw/zinc/58/01/99/953580199.db2.gz	RXVPIFXAXQYFQV-SJORKVTESA-N	1	0	370.501	1.673	20	30		FDEDRO
C[NH+](C)CCC(=O)N1C[C@H]2CCN(c3ncc(C#N)cc3Cl)C[C@H]2C1	ZINC001091870432	953627060	/nfs/dbraw/zinc/62/70/60/953627060.db2.gz	RTLZEUKXACTYMS-CABCVRRESA-N	1	0	361.877	1.843	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccnc4[nH]c(CC)nc43)C[C@]2(C)C1	ZINC001091874483	953638374	/nfs/dbraw/zinc/63/83/74/953638374.db2.gz	HNOPGWFOGQZBEZ-VLIAUNLRSA-N	1	0	351.454	1.938	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cnn(C)c3-n3cccc3)C[C@]2(C)C1	ZINC001091901690	953657542	/nfs/dbraw/zinc/65/75/42/953657542.db2.gz	AURYICQNQGLUNE-UZLBHIALSA-N	1	0	351.454	1.628	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+]([C@@H]4CCN(CC)C4=O)C[C@@]3(C)C2)cc1	ZINC001091907135	953684116	/nfs/dbraw/zinc/68/41/16/953684116.db2.gz	OLTSHJWWVMNADL-KNKQGSTJSA-N	1	0	365.477	1.683	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C[C@H]1C[N@H+](Cc1ccc(C#N)c(F)c1)C2	ZINC001091936409	953783923	/nfs/dbraw/zinc/78/39/23/953783923.db2.gz	LUCDDOJJMFJCJB-KFHRBPSFSA-N	1	0	369.440	1.870	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)CCCC[NH+]2CCCC2)CCN1c1ccc(C#N)nn1	ZINC001091988702	953889713	/nfs/dbraw/zinc/88/97/13/953889713.db2.gz	WRUIPEGBQZBNBP-WBVHZDCISA-N	1	0	356.474	1.698	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)CC2CCCC2)C1	ZINC001196924463	971972461	/nfs/dbraw/zinc/97/24/61/971972461.db2.gz	BECFCKQCIOBEKI-USXIJHARSA-N	1	0	351.491	1.199	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3C[N@@H+](Cc4cnoc4C)C[C@@]3(C)C2)c1	ZINC001091997350	953915537	/nfs/dbraw/zinc/91/55/37/953915537.db2.gz	ZFEJVLPIPJTAAO-QUCCMNQESA-N	1	0	350.422	1.953	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCN(c2ncccc2C#N)[C@@H]1C	ZINC001091972794	953958746	/nfs/dbraw/zinc/95/87/46/953958746.db2.gz	OWKLBTPPCDPXOV-UXLLHSPISA-N	1	0	357.458	1.005	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)CCN1c1ccc(C#N)nc1	ZINC001092061363	954176783	/nfs/dbraw/zinc/17/67/83/954176783.db2.gz	QUWSLIXORKNMMO-QAPCUYQASA-N	1	0	371.485	1.395	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cc(C)nc4n[nH]c(C)c43)C[C@]2(C)C1	ZINC001092098512	954292866	/nfs/dbraw/zinc/29/28/66/954292866.db2.gz	VLJGTYPUKAJIMS-QRWLVFNGSA-N	1	0	351.454	1.992	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)C[C@H]3CCCS(=O)(=O)C3)C[C@]2(C)C1	ZINC001092180157	954470383	/nfs/dbraw/zinc/47/03/83/954470383.db2.gz	QRFUERNDELQOJQ-NUJGCVRESA-N	1	0	354.516	1.558	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3c(C(F)(F)F)cnn3C)C[C@]2(C)C1	ZINC001092242204	954602675	/nfs/dbraw/zinc/60/26/75/954602675.db2.gz	IBOHQEZNHNYHTC-WBMJQRKESA-N	1	0	354.376	1.856	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncc3ccccc32)C1	ZINC001196992453	972027676	/nfs/dbraw/zinc/02/76/76/972027676.db2.gz	BCDHPZBBZCZRCG-IEBWSBKVSA-N	1	0	356.470	1.944	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cccn4CC)C[C@]3(C)C2)C1=O	ZINC001092279332	954686188	/nfs/dbraw/zinc/68/61/88/954686188.db2.gz	TVRNMFNTOLFSAV-BLIXFSHQSA-N	1	0	370.497	1.689	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2C[C@H]3C[N@@H+](C[C@@H](C)O)C[C@@]3(C)C2)cc1	ZINC001092308718	954780863	/nfs/dbraw/zinc/78/08/63/954780863.db2.gz	WCLARJWLGXPNES-BLIXFSHQSA-N	1	0	358.482	1.955	20	30		FDEDRO
C=C[C@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@]2(C)C1)c1ccccc1	ZINC001092294545	954903183	/nfs/dbraw/zinc/90/31/83/954903183.db2.gz	WMUQDRYMIIMGQG-DXIQSLLYSA-N	1	0	367.493	1.969	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CNC(=O)CCCC[NH+]1CCCC1	ZINC001092378348	954971395	/nfs/dbraw/zinc/97/13/95/954971395.db2.gz	FFQFNFURIIEFCJ-IAGOWNOFSA-N	1	0	370.501	1.803	20	30		FDEDRO
Cc1nsc(N2C[C@@H](CNC(=O)C[C@@H]3CC[N@H+](C)C3)[C@H](C)C2)c1C#N	ZINC001092384757	954983089	/nfs/dbraw/zinc/98/30/89/954983089.db2.gz	HLZZCHXGDGFLIR-VHDGCEQUSA-N	1	0	361.515	1.854	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CN(c2ncccc2C#N)C[C@H]1C	ZINC001092366902	955034259	/nfs/dbraw/zinc/03/42/59/955034259.db2.gz	YBKJFKTXZZBUAA-JFIYKMOQSA-N	1	0	371.485	1.110	20	30		FDEDRO
C=C(C)CN1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1nccn12	ZINC001092373665	955047055	/nfs/dbraw/zinc/04/70/55/955047055.db2.gz	WUEWXYKRDMAYHX-YESZJQIVSA-N	1	0	357.502	1.761	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CNC(=O)CCC[NH+]1CCCC1	ZINC001092373990	955048302	/nfs/dbraw/zinc/04/83/02/955048302.db2.gz	AKMJHTXIPQPDLV-HZPDHXFCSA-N	1	0	356.474	1.413	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1	ZINC001092427337	955071022	/nfs/dbraw/zinc/07/10/22/955071022.db2.gz	GPJLZFHLNPEBGI-HUUCEWRRSA-N	1	0	356.474	1.411	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C	ZINC001092446230	955122314	/nfs/dbraw/zinc/12/23/14/955122314.db2.gz	OAXBVWLHFRPJKS-HUUCEWRRSA-N	1	0	358.490	1.515	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3scnc3C)[C@H](C)C2)C1=O	ZINC001092478507	955226829	/nfs/dbraw/zinc/22/68/29/955226829.db2.gz	DURXCCRCWWGIHX-YUELXQCFSA-N	1	0	362.499	1.536	20	30		FDEDRO
Cc1nsc(N2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3CCC[N@@H+]3C)C2)c1C#N	ZINC001092484571	955239807	/nfs/dbraw/zinc/23/98/07/955239807.db2.gz	SNCKWUJKTWGVOF-XPKDYRNWSA-N	1	0	361.515	1.996	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CNC(=O)c2cn(C)cn2)[C@H](C)C1	ZINC001092545079	955374442	/nfs/dbraw/zinc/37/44/42/955374442.db2.gz	GYGJTGAUDLYNTP-RHSMWYFYSA-N	1	0	367.453	1.798	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)c1cn(C)cn1	ZINC001092545057	955374974	/nfs/dbraw/zinc/37/49/74/955374974.db2.gz	DZIQTUDUEFNRQS-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CCNC(=O)CC1CC[NH+](C)CC1	ZINC001092547669	955386781	/nfs/dbraw/zinc/38/67/81/955386781.db2.gz	FESWLZSWFLSBRM-NVXWUHKLSA-N	1	0	370.501	1.659	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)nn1	ZINC001092552296	955409998	/nfs/dbraw/zinc/40/99/98/955409998.db2.gz	QTMCZQJMXDQKEG-TZMCWYRMSA-N	1	0	354.414	1.183	20	30		FDEDRO
CC(=O)N1CC(C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2C)C1	ZINC001092568310	955482771	/nfs/dbraw/zinc/48/27/71/955482771.db2.gz	SOMDYAOGKVURFT-RDTXWAMCSA-N	1	0	354.454	1.221	20	30		FDEDRO
C[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC001092532426	955497596	/nfs/dbraw/zinc/49/75/96/955497596.db2.gz	UUZNPOHNSOKKDV-FRFSOERESA-N	1	0	371.485	1.583	20	30		FDEDRO
C[C@@H]1CCC[N@H+]1CC(=O)NCC[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C	ZINC001092588630	955561397	/nfs/dbraw/zinc/56/13/97/955561397.db2.gz	YPIWSNNWXPTZBO-BZUAXINKSA-N	1	0	356.474	1.411	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3cc(C)nc(C)c3)[C@H](C)C2)C1=O	ZINC001092640908	955760898	/nfs/dbraw/zinc/76/08/98/955760898.db2.gz	AWCHZJSROPXVEN-ZMYBRWDISA-N	1	0	370.497	1.783	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(CCOCC)CCCC2)C1	ZINC001197206234	972147849	/nfs/dbraw/zinc/14/78/49/972147849.db2.gz	KGQMFWXMOVERQU-IAGOWNOFSA-N	1	0	354.491	1.337	20	30		FDEDRO
Cc1ccc(C#N)c(NC[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)n1	ZINC001092653755	956043663	/nfs/dbraw/zinc/04/36/63/956043663.db2.gz	PSPLSQXRBCBYPU-RHSMWYFYSA-N	1	0	359.474	1.346	20	30		FDEDRO
C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CNc1cccc(F)c1C#N	ZINC001092653821	956044215	/nfs/dbraw/zinc/04/42/15/956044215.db2.gz	TVHFTAPUEAZUQJ-HUUCEWRRSA-N	1	0	362.449	1.782	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)[C@H](C)C1	ZINC001092694819	956058607	/nfs/dbraw/zinc/05/86/07/956058607.db2.gz	WEUJLNIUMPNCAO-YWTNHNAXSA-N	1	0	358.486	1.688	20	30		FDEDRO
C[NH+](C)[C@H](C(=O)NC[C@]12CCC[C@H]1N(c1ccc(C#N)nn1)CC2)C1CC1	ZINC001092704884	956115899	/nfs/dbraw/zinc/11/58/99/956115899.db2.gz	QUKOBLQRAHWWOL-IMFGXOCKSA-N	1	0	368.485	1.554	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)c1cn[nH]n1	ZINC001092759000	956292777	/nfs/dbraw/zinc/29/27/77/956292777.db2.gz	GJERXSMWTVWNAF-UKRRQHHQSA-N	1	0	354.414	1.205	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CNC(=O)c2cncn2C)[C@H](C)C1	ZINC001092788551	956325609	/nfs/dbraw/zinc/32/56/09/956325609.db2.gz	XEZCJHAATXZBCT-RHSMWYFYSA-N	1	0	367.453	1.798	20	30		FDEDRO
Cc1nc(N2CCO[C@](C)(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)ccc1C#N	ZINC001092777611	956416434	/nfs/dbraw/zinc/41/64/34/956416434.db2.gz	QFEIQWZYGRBOLG-WRWLIDTKSA-N	1	0	371.485	1.313	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1)[NH+]1CCCC1	ZINC001092849390	956494112	/nfs/dbraw/zinc/49/41/12/956494112.db2.gz	GGFIUCXZSMXXFY-VUHPKUFZSA-N	1	0	368.485	1.695	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@@H]1CCCCC(=O)N1	ZINC001092960049	956912058	/nfs/dbraw/zinc/91/20/58/956912058.db2.gz	RALKEYCJKIJKCV-LZQZEXGQSA-N	1	0	368.481	1.801	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1	ZINC001092971868	957028979	/nfs/dbraw/zinc/02/89/79/957028979.db2.gz	DCYCTMNWQLQUCE-DQEVTTJGSA-N	1	0	368.481	1.644	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2scc3c2OCCO3)C1	ZINC001197433384	972247757	/nfs/dbraw/zinc/24/77/57/972247757.db2.gz	KHORZAVDZIWTHF-JHJVBQTASA-N	1	0	352.456	1.649	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]2C)cc1	ZINC001093031369	957242105	/nfs/dbraw/zinc/24/21/05/957242105.db2.gz	BTNWRBIGCXUCEI-SZVBFZGTSA-N	1	0	369.465	1.275	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@H]2C)nn1	ZINC001093040062	957263295	/nfs/dbraw/zinc/26/32/95/957263295.db2.gz	GHOZIEAJTMGNEH-BRWVUGGUSA-N	1	0	361.490	1.721	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@@H]2C[N@H+]([C@@H](C)c3cnccn3)C[C@H]2C)nn1	ZINC001093040924	957266106	/nfs/dbraw/zinc/26/61/06/957266106.db2.gz	XKEWREMNIBPLMJ-OWCLPIDISA-N	1	0	369.473	1.703	20	30		FDEDRO
COC(=O)[C@H](CS)NC(=O)c1cccc(CN2CCC[N@H+](C)CC2)c1	ZINC001197510406	972270163	/nfs/dbraw/zinc/27/01/63/972270163.db2.gz	VREVZVVXOBUKSW-INIZCTEOSA-N	1	0	365.499	1.025	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(C3CCOCC3)n2)C1	ZINC001197512358	972270635	/nfs/dbraw/zinc/27/06/35/972270635.db2.gz	NYAGJAHSONXBIY-YSVLISHTSA-N	1	0	363.458	1.698	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H]3CCC[C@]3(NC(=O)[C@H](CC)[NH+](C)C)C2)n1	ZINC001093091426	957533763	/nfs/dbraw/zinc/53/37/63/957533763.db2.gz	ZDSHEDVKNNIRCV-UVFQYZLESA-N	1	0	370.501	1.726	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(O[C@@H](C)CC)cc2)C1	ZINC001197519676	972273164	/nfs/dbraw/zinc/27/31/64/972273164.db2.gz	OHNPGHMGKDBQSX-KFKAGJAMSA-N	1	0	362.470	1.841	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2ccncc2C#N)C1	ZINC001093114365	957553273	/nfs/dbraw/zinc/55/32/73/957553273.db2.gz	YBTJYROECSJDPU-UKRRQHHQSA-N	1	0	369.391	1.518	20	30		FDEDRO
CC(C)[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2nccnc2C#N)C1	ZINC001093114389	957553465	/nfs/dbraw/zinc/55/34/65/957553465.db2.gz	ZHJCNVPNEWMKQD-DGCLKSJQSA-N	1	0	370.379	1.490	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1C[C@@H]2CCC[C@]2(CNc2ccncc2C#N)C1	ZINC001093123831	957586455	/nfs/dbraw/zinc/58/64/55/957586455.db2.gz	BTARLSIVQGXVAK-PXNSSMCTSA-N	1	0	355.486	1.758	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@H](C)C(=O)NC3CC3)C[C@H]2C)nc1	ZINC001093142820	957639621	/nfs/dbraw/zinc/63/96/21/957639621.db2.gz	DWKZUMIEUPPZFN-IIAWOOMASA-N	1	0	354.454	1.028	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(Cc3ncc(C)cn3)C[C@H]2C)CC1	ZINC001093224467	957855137	/nfs/dbraw/zinc/85/51/37/957855137.db2.gz	XUSFUBODGBPDNM-IEBWSBKVSA-N	1	0	369.513	1.314	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3cnnc(C)c3)C[C@H]2C)C1=O	ZINC001093275343	957945782	/nfs/dbraw/zinc/94/57/82/957945782.db2.gz	ZCASWAUDZWXNQD-QGPMSJSTSA-N	1	0	371.485	1.260	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H]3CCCN(C)C3=O)C2)c1	ZINC001093284424	957964465	/nfs/dbraw/zinc/96/44/65/957964465.db2.gz	GMHSIYIMSOZYIF-SZVBFZGTSA-N	1	0	368.481	1.372	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCOC2(CCC([NH2+]CCO)CC2)C1	ZINC001093409296	958025679	/nfs/dbraw/zinc/02/56/79/958025679.db2.gz	DYCQKIJALGVDCG-NRGCRIOASA-N	1	0	366.502	1.480	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc[nH]n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093430503	958052497	/nfs/dbraw/zinc/05/24/97/958052497.db2.gz	NUXDLBAVMUISCK-PNBKFKSVSA-N	1	0	352.866	1.742	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccncc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452385	958055911	/nfs/dbraw/zinc/05/59/11/958055911.db2.gz	HYORNVNFTRALBS-XCJLJZCSSA-N	1	0	355.482	1.857	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cncnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093441758	958078809	/nfs/dbraw/zinc/07/88/09/958078809.db2.gz	ANFHMCAFXDUGOL-JYBIWHBTSA-N	1	0	358.486	1.561	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)c2ccc(C#N)[nH]2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CC1CC1)C2	ZINC001093441788	958079109	/nfs/dbraw/zinc/07/91/09/958079109.db2.gz	DVWMMVZVGSSDHJ-FTEYMNFISA-N	1	0	356.470	1.876	20	30		FDEDRO
Cc1ncoc1C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C#CC3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093443045	958083870	/nfs/dbraw/zinc/08/38/70/958083870.db2.gz	NRCAMSOGILUKNF-DGQTTZFYSA-N	1	0	371.481	1.863	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc4[nH]cnc4c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093446915	958097547	/nfs/dbraw/zinc/09/75/47/958097547.db2.gz	NVDLIVWFIXYASZ-VIPLHTEESA-N	1	0	369.469	1.724	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc4nc[nH]c4n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093449610	958118019	/nfs/dbraw/zinc/11/80/19/958118019.db2.gz	HNJYIQUSAMLEKN-WWNBULGVSA-N	1	0	369.469	1.724	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C4CC4)nn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093449828	958119123	/nfs/dbraw/zinc/11/91/23/958119123.db2.gz	QQJMPBKNSNBRAZ-RDPOXOKHSA-N	1	0	370.497	1.510	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C4CC4)n(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093450973	958129489	/nfs/dbraw/zinc/12/94/89/958129489.db2.gz	YUFLLWRFPXIBRH-XLBJILASSA-N	1	0	370.497	1.510	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C4CC4)n(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093450970	958129672	/nfs/dbraw/zinc/12/96/72/958129672.db2.gz	YUFLLWRFPXIBRH-RBAQFSTRSA-N	1	0	370.497	1.510	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc4nc[nH]c4n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093451806	958135632	/nfs/dbraw/zinc/13/56/32/958135632.db2.gz	YOIUTJVQHWBFKG-PDOICOKGSA-N	1	0	367.453	1.171	20	30		FDEDRO
COCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)[C@@H]1C(C)C	ZINC001093417490	958142214	/nfs/dbraw/zinc/14/22/14/958142214.db2.gz	WWNNDYBEXPZASY-RMVXJAJNSA-N	1	0	371.481	1.671	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093424005	958175560	/nfs/dbraw/zinc/17/55/60/958175560.db2.gz	OOAWLMPWNYETNS-IIVZCXTMSA-N	1	0	364.877	1.809	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3n[nH]nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093459430	958182350	/nfs/dbraw/zinc/18/23/50/958182350.db2.gz	KMRPCKZNLDRINZ-SMKXDYDZSA-N	1	0	367.881	1.445	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3snnc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093459802	958183372	/nfs/dbraw/zinc/18/33/72/958183372.db2.gz	WBWOJYNBCHDGBI-GZOSKZMVSA-N	1	0	362.499	1.313	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc4nccn43)[C@H]2C(C)C)C[C@H]1O	ZINC001093460021	958186111	/nfs/dbraw/zinc/18/61/11/958186111.db2.gz	XKGRXMVUFYFZRM-DOSUHQCWSA-N	1	0	366.465	1.547	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3cncnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093460049	958187905	/nfs/dbraw/zinc/18/79/05/958187905.db2.gz	XSFRLHNTKVMAQN-LFGUQSLTSA-N	1	0	358.486	1.561	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccn4ccnc34)[C@@H]2C(C)C)C[C@H]1O	ZINC001093467198	958213130	/nfs/dbraw/zinc/21/31/30/958213130.db2.gz	ROQIMQMPZYQXMF-IKVWTGGYSA-N	1	0	366.465	1.547	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(C(F)F)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093469921	958224450	/nfs/dbraw/zinc/22/44/50/958224450.db2.gz	NKQRLJNLPSCYKS-ADAWSYLGSA-N	1	0	366.412	1.491	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)nc(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093470384	958228512	/nfs/dbraw/zinc/22/85/12/958228512.db2.gz	UGOFWJUSMUPJRT-SOAMZJECSA-N	1	0	356.470	1.306	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccn(C)c3=O)[C@H]2C(C)C)C[C@H]1O	ZINC001093475536	958252385	/nfs/dbraw/zinc/25/23/85/958252385.db2.gz	YFZUQIVMKFKZOA-PDOICOKGSA-N	1	0	359.470	1.151	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc4nccn4c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093453583	958263229	/nfs/dbraw/zinc/26/32/29/958263229.db2.gz	WSYHVBGHHUNPKJ-WWNBULGVSA-N	1	0	369.469	1.495	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3cncnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093457958	958280979	/nfs/dbraw/zinc/28/09/79/958280979.db2.gz	LZRHWUJEQIQPCB-LFGUQSLTSA-N	1	0	356.470	1.009	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccc(OC)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093458265	958282311	/nfs/dbraw/zinc/28/23/11/958282311.db2.gz	BRPGCUUPGNXYKH-QCFAMHMHSA-N	1	0	371.481	1.232	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(OC)n(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093459143	958287553	/nfs/dbraw/zinc/28/75/53/958287553.db2.gz	RKXLBRLLNYYNPA-IIHSZXCVSA-N	1	0	362.474	1.194	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3ccnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093480875	958304695	/nfs/dbraw/zinc/30/46/95/958304695.db2.gz	PPSMOJINWSHTEM-HNBVOPMISA-N	1	0	360.502	1.734	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN(C)c3ccccc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093482029	958308248	/nfs/dbraw/zinc/30/82/48/958308248.db2.gz	ZMNUETVLYVKLNN-CZAYHTPWSA-N	1	0	369.509	1.722	20	30		FDEDRO
C#CCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@]23C[C@H]2COC3)CC1	ZINC001093487757	958309977	/nfs/dbraw/zinc/30/99/77/958309977.db2.gz	NITQIIBMJIPDHY-ROPHOZQPSA-N	1	0	357.498	1.186	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001093618288	958346553	/nfs/dbraw/zinc/34/65/53/958346553.db2.gz	YEWQXLNTQNDDEI-CZUORRHYSA-N	1	0	353.401	1.985	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001093623256	958355678	/nfs/dbraw/zinc/35/56/78/958355678.db2.gz	RSRWDPLVQAWMLU-RDTXWAMCSA-N	1	0	368.412	1.829	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3ccc(F)cc3)C[C@H]2C)C1=O	ZINC001093612923	958373562	/nfs/dbraw/zinc/37/35/62/958373562.db2.gz	VNWIJDGJIXQRGH-KYJSFNMBSA-N	1	0	359.445	1.910	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001093647574	958424358	/nfs/dbraw/zinc/42/43/58/958424358.db2.gz	WEHAENSYLMECBU-QBIMZIAESA-N	1	0	361.417	1.297	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cc3ccon3)C[C@H]2C)cc1C#N	ZINC001093684246	958493206	/nfs/dbraw/zinc/49/32/06/958493206.db2.gz	BLLQZRVXVQQRKN-RHSMWYFYSA-N	1	0	368.437	1.982	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2nn(C)cc2Br)[C@H](C)C1	ZINC001093677951	958530409	/nfs/dbraw/zinc/53/04/09/958530409.db2.gz	GRWNMHOGAMZKQB-IJLUTSLNSA-N	1	0	368.279	1.526	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2nc3ccsc3c(=O)[nH]2)[C@H](C)C1	ZINC001093678061	958530449	/nfs/dbraw/zinc/53/04/49/958530449.db2.gz	GXTILEINZMPTMV-IJLUTSLNSA-N	1	0	359.455	1.741	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)[C@H](C)C1	ZINC001093678952	958531385	/nfs/dbraw/zinc/53/13/85/958531385.db2.gz	OOIUBFYSPDWYPV-IIAWOOMASA-N	1	0	363.483	1.434	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C3CC3)n2C2CC2)[C@H](C)C1	ZINC001093679200	958533596	/nfs/dbraw/zinc/53/35/96/958533596.db2.gz	RISGNVAGAMXNNO-GZBFAFLISA-N	1	0	356.474	1.834	20	30		FDEDRO
C#C[C@@H](NC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)[C@@H]1CCCO1	ZINC000773209122	958552495	/nfs/dbraw/zinc/55/24/95/958552495.db2.gz	HPIMRUVQTWKAPC-UXHICEINSA-N	1	0	370.497	1.414	20	30		FDEDRO
C#C[C@H](NCC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CCCO1	ZINC000775783741	972358550	/nfs/dbraw/zinc/35/85/50/972358550.db2.gz	CZVAPZFMRAWQOR-OALUTQOASA-N	1	0	369.465	1.309	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1ccn(C)c(=O)c1	ZINC001093722189	958596470	/nfs/dbraw/zinc/59/64/70/958596470.db2.gz	TXXQUZZGZZGHGT-UKRRQHHQSA-N	1	0	353.426	1.083	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+][C@H]1CCN(C2CCC2)C1=O	ZINC001093722636	958599581	/nfs/dbraw/zinc/59/95/81/958599581.db2.gz	WWBQQIKWBJOUQF-CPUCHLNUSA-N	1	0	369.469	1.337	20	30		FDEDRO
C[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093725089	958604215	/nfs/dbraw/zinc/60/42/15/958604215.db2.gz	DRWXONRVKNBNAD-HUUCEWRRSA-N	1	0	362.499	1.136	20	30		FDEDRO
CCc1nnc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)[nH]1	ZINC001093725260	958605898	/nfs/dbraw/zinc/60/58/98/958605898.db2.gz	FZRWIWXHDSQGSY-MBNYWOFBSA-N	1	0	355.446	1.626	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)[C@H](C)C1)n1cncn1	ZINC001093725571	958607624	/nfs/dbraw/zinc/60/76/24/958607624.db2.gz	SHXYFCMPBQJUJP-JKIFEVAISA-N	1	0	370.432	1.734	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001093755198	958684878	/nfs/dbraw/zinc/68/48/78/958684878.db2.gz	ZCCKYXNUBIZASD-IUODEOHRSA-N	1	0	356.405	1.324	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C(C)C)[C@H](C)C1	ZINC001093824907	958903251	/nfs/dbraw/zinc/90/32/51/958903251.db2.gz	SGBMXFOEFDKGJA-HZPDHXFCSA-N	1	0	371.489	1.739	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN(C)C2=O)C1	ZINC001197758191	972386006	/nfs/dbraw/zinc/38/60/06/972386006.db2.gz	JIYYMMJNCBPJAJ-BRWVUGGUSA-N	1	0	351.491	1.153	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cccnc2OC)[C@H](C)C1	ZINC001093833193	958928346	/nfs/dbraw/zinc/92/83/46/958928346.db2.gz	XKXWFQWUBWFFRA-QRQLOZEOSA-N	1	0	370.497	1.372	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)ccc2=O)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093908702	959170030	/nfs/dbraw/zinc/17/00/30/959170030.db2.gz	RAIGHEFVFVTWKK-ZIAGYGMSSA-N	1	0	370.478	1.816	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]C[C@H]3CCNC(=O)CC3)[C@H](C)C2)cc1	ZINC001093957047	959348232	/nfs/dbraw/zinc/34/82/32/959348232.db2.gz	LIARNMMEARIESK-YVWKXTFCSA-N	1	0	367.493	1.882	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ncnn3CC)[C@H](C)C2)cc1	ZINC001093959262	959357798	/nfs/dbraw/zinc/35/77/98/959357798.db2.gz	UCFLEKVIXTWZAX-CRAIPNDOSA-N	1	0	351.454	1.777	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CCc3ccccn3)C[C@H]2C)C1=O	ZINC001093960504	959360407	/nfs/dbraw/zinc/36/04/07/959360407.db2.gz	FQBCHRAVSVUQQD-ZHALLVOQSA-N	1	0	370.497	1.485	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3cccnc3C)C[C@H]2C)C1=O	ZINC001094002400	959494439	/nfs/dbraw/zinc/49/44/39/959494439.db2.gz	KLWDIBUHKPOHPN-QGPMSJSTSA-N	1	0	356.470	1.475	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3cnnn3CC)[C@H](C)C2)c1	ZINC001094028167	959550408	/nfs/dbraw/zinc/55/04/08/959550408.db2.gz	ULGBSNYZYVGTIU-RHSMWYFYSA-N	1	0	352.442	1.172	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001094047734	959616917	/nfs/dbraw/zinc/61/69/17/959616917.db2.gz	DDHPQHAYCIEWSF-CRAIPNDOSA-N	1	0	366.469	1.504	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001094075003	959703220	/nfs/dbraw/zinc/70/32/20/959703220.db2.gz	UPAYYTSKMQBOGA-CZUORRHYSA-N	1	0	355.417	1.847	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3cc(C)[nH]c3C)C[C@H]2C)C1=O	ZINC001094075264	959705083	/nfs/dbraw/zinc/70/50/83/959705083.db2.gz	WFNSARUQFXBZMV-MZMPZRCHSA-N	1	0	358.486	1.716	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3nnc(C)o3)[C@H](C)C2)nn1	ZINC001094101304	959747451	/nfs/dbraw/zinc/74/74/51/959747451.db2.gz	MVKGQMUWKRPJAT-TZMCWYRMSA-N	1	0	359.434	1.044	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001094113904	959802435	/nfs/dbraw/zinc/80/24/35/959802435.db2.gz	JJHWEBBVWUAJRK-YLJYHZDGSA-N	1	0	370.497	1.465	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccncn2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001094120450	959819094	/nfs/dbraw/zinc/81/90/94/959819094.db2.gz	STQPEKMQAXYTMN-CZUORRHYSA-N	1	0	353.401	1.985	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001094135995	959869061	/nfs/dbraw/zinc/86/90/61/959869061.db2.gz	OAWOMGWCOYMKJS-DGCLKSJQSA-N	1	0	371.466	1.545	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ncc(C)cn2)[C@H](C)C1	ZINC001094103269	959884938	/nfs/dbraw/zinc/88/49/38/959884938.db2.gz	JTPBXNFLHFYMEK-VXNCWWDNSA-N	1	0	358.486	1.950	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C[NH2+]Cc2nccn2C)[C@H](C)C1	ZINC001094159052	959929589	/nfs/dbraw/zinc/92/95/89/959929589.db2.gz	WKVLOANKIKMLQL-HZPDHXFCSA-N	1	0	369.469	1.878	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001094166625	959955159	/nfs/dbraw/zinc/95/51/59/959955159.db2.gz	HTIOGYOJAZWEFW-CRAIPNDOSA-N	1	0	351.454	1.719	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]Cc2cc(C)on2)[C@H](C)C1	ZINC001094173887	959973915	/nfs/dbraw/zinc/97/39/15/959973915.db2.gz	DGTIOERJDWGYCS-GDBMZVCRSA-N	1	0	368.437	1.888	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nnc(C4CC4)[nH]3)[C@H](C)C2)nc1	ZINC001094174268	959976127	/nfs/dbraw/zinc/97/61/27/959976127.db2.gz	BUJKAJGGBGLTDR-CZUORRHYSA-N	1	0	364.453	1.556	20	30		FDEDRO
CC(=O)N1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1	ZINC001094175872	959980803	/nfs/dbraw/zinc/98/08/03/959980803.db2.gz	AXNWNZOWDBSUEI-YSGRDPCXSA-N	1	0	368.481	1.753	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cncc(OC)n3)[C@H](C)C2)cn1	ZINC001094176828	959983065	/nfs/dbraw/zinc/98/30/65/959983065.db2.gz	YWAOCLCNMBRRDP-GDBMZVCRSA-N	1	0	365.437	1.359	20	30		FDEDRO
Cc1nccn1CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1	ZINC001094221311	960049071	/nfs/dbraw/zinc/04/90/71/960049071.db2.gz	GQXZRLBYOHESPR-DNVCBOLYSA-N	1	0	351.454	1.948	20	30		FDEDRO
CCN1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cccc(C#N)c3)[C@H](C)C2)C1	ZINC001094232094	960137714	/nfs/dbraw/zinc/13/77/14/960137714.db2.gz	MIJYZBRCVRCMSW-NSISKUIASA-N	1	0	370.497	1.463	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]c3cccc(C)c23)C1	ZINC001197858724	972485675	/nfs/dbraw/zinc/48/56/75/972485675.db2.gz	GESRPRHLRAVOHL-QZTJIDSGSA-N	1	0	357.454	1.383	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1	ZINC000773271062	960217661	/nfs/dbraw/zinc/21/76/61/960217661.db2.gz	BLQDELNXSHYNBH-UHFFFAOYSA-N	1	0	357.454	1.970	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCc1cn(C2C[NH+](CC3CCC3)C2)nn1	ZINC001094291282	960254874	/nfs/dbraw/zinc/25/48/74/960254874.db2.gz	NCSIYXKWTKCAIU-MSOLQXFVSA-N	1	0	359.474	1.532	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCCS3(=O)=O)CCC[C@@H]12	ZINC001094433117	960443558	/nfs/dbraw/zinc/44/35/58/960443558.db2.gz	RMLPIWWOAHNNFX-LZLYRXPVSA-N	1	0	354.516	1.891	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)c3coc(S(N)(=O)=O)c3)CCC[C@@H]12	ZINC001094451250	960529400	/nfs/dbraw/zinc/52/94/00/960529400.db2.gz	UISUSMICGVXURD-RHSMWYFYSA-N	1	0	367.471	1.478	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)c4cn[nH]n4)CCC[C@@H]23)cc1	ZINC001094456294	960546650	/nfs/dbraw/zinc/54/66/50/960546650.db2.gz	DUYLDJMFNKMIDL-IEBWSBKVSA-N	1	0	350.426	1.851	20	30		FDEDRO
N#Cc1ccccc1C[N@@H+]1CC[C@@]2(CNC(=O)c3cn[nH]n3)CCC[C@@H]12	ZINC001094456859	960548192	/nfs/dbraw/zinc/54/81/92/960548192.db2.gz	OVRMGTWRHDFKFT-IEBWSBKVSA-N	1	0	350.426	1.851	20	30		FDEDRO
Cn1nnc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2ccc(C#N)cc2)CC3)n1	ZINC001094493201	960595351	/nfs/dbraw/zinc/59/53/51/960595351.db2.gz	MYFIQIFUXTZFMA-VQIMIIECSA-N	1	0	365.441	1.256	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCC	ZINC001110158028	960595756	/nfs/dbraw/zinc/59/57/56/960595756.db2.gz	FJNOWBATCVYZPQ-ILXRZTDVSA-N	1	0	352.479	1.008	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN(CC(F)F)C3)CCC[C@@H]12	ZINC001094498613	960618667	/nfs/dbraw/zinc/61/86/67/960618667.db2.gz	OTRPMHSTGFEUBH-GPMSIDNRSA-N	1	0	353.457	1.958	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3Cc4cncn4C(=O)N3)CCC[C@@H]12	ZINC001094475776	960646210	/nfs/dbraw/zinc/64/62/10/960646210.db2.gz	GUQHQFXLHAFYPA-FRQCXROJSA-N	1	0	357.458	1.302	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@]3(CNC(=O)c4cnco4)CCC[C@@H]23)C1=O	ZINC001094482994	960668426	/nfs/dbraw/zinc/66/84/26/960668426.db2.gz	VKSVJELKCMUUKU-ZSZQSSIHSA-N	1	0	358.442	1.436	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@H]4C[C@H]4C(N)=O)CCC[C@@H]23)c1	ZINC001094513183	960700545	/nfs/dbraw/zinc/70/05/45/960700545.db2.gz	KEYIBFHBGOWPAG-BMQTXXJKSA-N	1	0	366.465	1.540	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@H]4C[C@H]4C(N)=O)CCC[C@@H]23)cc1	ZINC001094513021	960700849	/nfs/dbraw/zinc/70/08/49/960700849.db2.gz	CQGBFKRGBSPGCV-BMQTXXJKSA-N	1	0	366.465	1.540	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccn(C)n1)CC2	ZINC001094515834	960708524	/nfs/dbraw/zinc/70/85/24/960708524.db2.gz	LSUZXHCSQJHZPX-AJYBTWMASA-N	1	0	358.486	1.872	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2cnc(C)o2)CC3)nn1	ZINC001094531352	960739235	/nfs/dbraw/zinc/73/92/35/960739235.db2.gz	LDAYKYZZQVXKRW-IEBWSBKVSA-N	1	0	370.457	1.935	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3csc(-c4nc[nH]n4)n3)CCC[C@@H]12	ZINC001094534041	960747523	/nfs/dbraw/zinc/74/75/23/960747523.db2.gz	WMZRKCKBTURVAR-RDTXWAMCSA-N	1	0	370.482	1.926	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3cn4nc(C)cc4[nH]c3=O)CCC[C@@H]12	ZINC001094536993	960757691	/nfs/dbraw/zinc/75/76/91/960757691.db2.gz	GFXOACZGHGOPQE-DNVCBOLYSA-N	1	0	355.442	1.491	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(=O)n(CCC)n3)CCC[C@@H]12	ZINC001094574751	960853881	/nfs/dbraw/zinc/85/38/81/960853881.db2.gz	BIOBEBYILASFEK-YLJYHZDGSA-N	1	0	356.470	1.651	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CN(CC)CCO3)CCC[C@@H]12	ZINC001094581730	960879228	/nfs/dbraw/zinc/87/92/28/960879228.db2.gz	DWXNUISICLXBMX-LZLYRXPVSA-N	1	0	355.910	1.820	20	30		FDEDRO
C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1	ZINC000773945802	961104211	/nfs/dbraw/zinc/10/42/11/961104211.db2.gz	YZYZHRVCEIDHSS-AWEZNQCLSA-N	1	0	374.460	1.775	20	30		FDEDRO
C[N@H+](CCNC(=O)Cc1ccccc1C#N)CCNC(=O)OC(C)(C)C	ZINC001181804596	961128542	/nfs/dbraw/zinc/12/85/42/961128542.db2.gz	UFBUTFJGHCMJHE-UHFFFAOYSA-N	1	0	360.458	1.673	20	30		FDEDRO
COC(=O)[C@H](CS)NC(=O)CC1CC[NH+](Cc2ccccc2)CC1	ZINC001182041365	961359331	/nfs/dbraw/zinc/35/93/31/961359331.db2.gz	YDACLLKSJXDRCY-INIZCTEOSA-N	1	0	350.484	1.876	20	30		FDEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)C#Cc1ccc(OC)cc1)CC2	ZINC001182046828	961363212	/nfs/dbraw/zinc/36/32/12/961363212.db2.gz	UZBDCNFRKQQMRQ-UHFFFAOYSA-N	1	0	369.465	1.250	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC(=O)NCC(=O)OCc1ccccc1	ZINC001172302924	961616290	/nfs/dbraw/zinc/61/62/90/961616290.db2.gz	SPSKMCKVTXUYNG-INIZCTEOSA-N	1	0	365.433	1.938	20	30		FDEDRO
C[C@@H](CCCC#N)[N@@H+]1CC[C@]2(C1)C[C@@H](NC(=O)c1cnccn1)CCO2	ZINC001172496409	961687847	/nfs/dbraw/zinc/68/78/47/961687847.db2.gz	ZZDCINHQVPKMJG-TXPKVOOTSA-N	1	0	357.458	1.912	20	30		FDEDRO
C[C@H](CCCC#N)[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)c3cnn(C)c3)[C@H]2C1	ZINC001172497343	961688070	/nfs/dbraw/zinc/68/80/70/961688070.db2.gz	BETUBJKNKRYZFM-MXSMSXNCSA-N	1	0	359.474	1.569	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(c3ncccn3)C2)C[C@H]1C#N	ZINC001172968202	961854871	/nfs/dbraw/zinc/85/48/71/961854871.db2.gz	OTJXERNNQIMALC-OAGGEKHMSA-N	1	0	372.473	1.937	20	30		FDEDRO
CN(C)C(=O)C1([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CCC1	ZINC001172978227	961860706	/nfs/dbraw/zinc/86/07/06/961860706.db2.gz	NYBKKRUFWALZMS-KGLIPLIRSA-N	1	0	350.463	1.879	20	30		FDEDRO
CC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1	ZINC001172984532	961868283	/nfs/dbraw/zinc/86/82/83/961868283.db2.gz	LXTAGMAPNUWSIK-XHSDSOJGSA-N	1	0	350.463	1.879	20	30		FDEDRO
C=CCOC1CCC([N@@H+]2C[C@H]3C[C@@H](C(=O)N4CCOCC4)[C@@H](C2)O3)CC1	ZINC001173320970	962004850	/nfs/dbraw/zinc/00/48/50/962004850.db2.gz	URKMQNYSKIMAIC-CPLYBDICSA-N	1	0	364.486	1.448	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+]C3(C(N)=O)CCCCC3)CC2)cc1	ZINC001173423077	962123625	/nfs/dbraw/zinc/12/36/25/962123625.db2.gz	DMAXGIXXQORKOD-UHFFFAOYSA-N	1	0	354.454	1.941	20	30		FDEDRO
CCOC(=O)[C@H](CCC[NH3+])NC1CCN(C(=O)c2ccc(C#N)cc2)CC1	ZINC001173426176	962135680	/nfs/dbraw/zinc/13/56/80/962135680.db2.gz	RSEZEURQUWUUJQ-SFHVURJKSA-N	1	0	372.469	1.423	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+]C[C@H]3CCS(=O)(=O)C3)CC2)cc1	ZINC001173426273	962136211	/nfs/dbraw/zinc/13/62/11/962136211.db2.gz	SGOILYIVXPCJNS-OAHLLOKOSA-N	1	0	361.467	1.187	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+]CCN3CCC(O)CC3)CC2)cc1	ZINC001173426411	962136216	/nfs/dbraw/zinc/13/62/16/962136216.db2.gz	YIILSMJBFQOMFI-UHFFFAOYSA-N	1	0	356.470	1.209	20	30		FDEDRO
C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1C	ZINC001182598734	962353282	/nfs/dbraw/zinc/35/32/82/962353282.db2.gz	IORROVWVORDPBC-AXVVYFOYSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCC[C@@H]2c2ccccc2)C1	ZINC001182670055	962382110	/nfs/dbraw/zinc/38/21/10/962382110.db2.gz	HNXVEMLQDRURPX-GUDVDZBRSA-N	1	0	371.481	1.299	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)C1	ZINC001182647028	962401704	/nfs/dbraw/zinc/40/17/04/962401704.db2.gz	IKTVWGQCYMDFKE-QRQLOZEOSA-N	1	0	353.466	1.366	20	30		FDEDRO
N#CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCC(=O)N2)C3)cc1	ZINC001095239734	962520988	/nfs/dbraw/zinc/52/09/88/962520988.db2.gz	HFILXRDAHZCILG-BGTYHANMSA-N	1	0	368.437	1.089	20	30		FDEDRO
C=CCOC(=O)N1CCC2(C[NH+]([C@H]3CCC[C@@H](n4ncnn4)C3)C2)CC1	ZINC001173757517	962638831	/nfs/dbraw/zinc/63/88/31/962638831.db2.gz	YAMPXPCFURLNHC-JKSUJKDBSA-N	1	0	360.462	1.877	20	30		FDEDRO
CC(C)N(C(=O)COc1ccc(C#N)cc1)c1ncnc2c1CC[NH2+]CC2	ZINC001182913891	962658028	/nfs/dbraw/zinc/65/80/28/962658028.db2.gz	QLMGKKRKHOGPMF-UHFFFAOYSA-N	1	0	365.437	1.857	20	30		FDEDRO
N#Cc1ccc(N2CC[NH+]([C@H]3CCC[C@H](n4ncnn4)C3)CC2)c(F)c1	ZINC001173770506	962666520	/nfs/dbraw/zinc/66/65/20/962666520.db2.gz	QAAMIHOIGNNMKC-HOTGVXAUSA-N	1	0	355.421	1.990	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC001183038726	962750905	/nfs/dbraw/zinc/75/09/05/962750905.db2.gz	HAMNJHDMPAMUQS-MRXNPFEDSA-N	1	0	367.490	1.733	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CCC(n2nnc3ccccc3c2=O)CC1	ZINC001183045017	962758220	/nfs/dbraw/zinc/75/82/20/962758220.db2.gz	QAIIWIJLQPIGNM-UHFFFAOYSA-N	1	0	367.453	1.607	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1	ZINC000773415384	962963864	/nfs/dbraw/zinc/96/38/64/962963864.db2.gz	BUYFIWPYRSFXIG-HOTGVXAUSA-N	1	0	357.454	1.968	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[N@H+](CCOCC(C)C)CCCO1	ZINC001150424947	962986077	/nfs/dbraw/zinc/98/60/77/962986077.db2.gz	DYRUXIUKIDICJR-FHWLQOOXSA-N	1	0	368.518	1.847	20	30		FDEDRO
C[C@H](CCCC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)[C@H]1C[C@H]1C(N)=O	ZINC001175289967	963126063	/nfs/dbraw/zinc/12/60/63/963126063.db2.gz	XIVXDHSSFWIOMT-WQVCFCJDSA-N	1	0	360.433	1.583	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cccnc1	ZINC001175389615	963186005	/nfs/dbraw/zinc/18/60/05/963186005.db2.gz	SVPINRQUNXVBDY-BPQIPLTHSA-N	1	0	356.470	1.199	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC=CC[C@H]2C(F)(F)F)C1	ZINC001183629417	963201135	/nfs/dbraw/zinc/20/11/35/963201135.db2.gz	MBLCCFHOUCHGTB-MGPQQGTHSA-N	1	0	359.392	1.624	20	30		FDEDRO
N#Cc1c(N)nc(=NC2CC2)n(C2=CC[N@H+](Cc3ccccc3)CC2)c1N	ZINC001175504802	963216453	/nfs/dbraw/zinc/21/64/53/963216453.db2.gz	JUZBUYYLCJPUKI-UHFFFAOYSA-N	1	0	361.453	1.729	20	30		FDEDRO
Cn1cc(C[N@@H+]2CC[C@@H](CNS(C)(=O)=O)C2)c(-c2ccc(C#N)cc2)n1	ZINC001183686168	963222835	/nfs/dbraw/zinc/22/28/35/963222835.db2.gz	PBBYULZXLOEMEF-HNNXBMFYSA-N	1	0	373.482	1.330	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CCOCCO	ZINC001175629787	963242104	/nfs/dbraw/zinc/24/21/04/963242104.db2.gz	LILPFBLVAXSGJQ-SQNIBIBYSA-N	1	0	356.507	1.631	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1nncn1C	ZINC001175628318	963242479	/nfs/dbraw/zinc/24/24/79/963242479.db2.gz	AYOKHJTXSRBXON-RYRKJORJSA-N	1	0	363.506	1.951	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CCN1CCCC1=O	ZINC001175654735	963257468	/nfs/dbraw/zinc/25/74/68/963257468.db2.gz	RJABWWFQCSCBIC-AOIWGVFYSA-N	1	0	365.518	1.855	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1)[C@@H]1CCCO1	ZINC000773561273	963403156	/nfs/dbraw/zinc/40/31/56/963403156.db2.gz	UPXRGMBCAZCGLU-MOPGFXCFSA-N	1	0	362.518	1.367	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@]23CCC[C@H]2OCC3)C1	ZINC001184192263	963472986	/nfs/dbraw/zinc/47/29/86/963472986.db2.gz	YHODAPNPCACHIR-HLIPFELVSA-N	1	0	361.486	1.337	20	30		FDEDRO
CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CCOCC1	ZINC001176658699	963520755	/nfs/dbraw/zinc/52/07/55/963520755.db2.gz	WBLAQAQJVNAJCZ-MPGHIAIKSA-N	1	0	367.490	1.767	20	30		FDEDRO
C=C[C@@H](CO)NC(=O)[C@@H]1C[N@H+](C(C)(C)C)CCN1C(=O)OC(C)(C)C	ZINC001184445797	963594968	/nfs/dbraw/zinc/59/49/68/963594968.db2.gz	ZLPJKPZPUBURCV-KBPBESRZSA-N	1	0	355.479	1.369	20	30		FDEDRO
C=C[C@@H](CO)NC(=O)[C@H]1C[N@H+](C(C)(C)C)CCN1C(=O)OC(C)(C)C	ZINC001184445798	963595127	/nfs/dbraw/zinc/59/51/27/963595127.db2.gz	ZLPJKPZPUBURCV-UONOGXRCSA-N	1	0	355.479	1.369	20	30		FDEDRO
C=CCOCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[C@H]1C(N)=O	ZINC001177419898	963824016	/nfs/dbraw/zinc/82/40/16/963824016.db2.gz	TUCHSVVQPDBBID-SJORKVTESA-N	1	0	351.491	1.309	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[C@@H](C)O1	ZINC001177427339	963838290	/nfs/dbraw/zinc/83/82/90/963838290.db2.gz	FJOFHMIDUMZBMT-SJLPKXTDSA-N	1	0	363.502	1.302	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CNC(=O)c2cc(C#N)ccc2I)C1	ZINC001185817640	964141523	/nfs/dbraw/zinc/14/15/23/964141523.db2.gz	JWVWNWGWPZSOJR-NSHDSACASA-N	1	0	369.206	1.844	20	30		FDEDRO
C=C(C)CC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@H]3OCC[C@H]3C)C2)nn1	ZINC001186008565	964252733	/nfs/dbraw/zinc/25/27/33/964252733.db2.gz	XJAXLLUWVLLOIE-NXHRZFHOSA-N	1	0	361.490	1.922	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(c2cccc(OC)c2)C1	ZINC001178635972	964332069	/nfs/dbraw/zinc/33/20/69/964332069.db2.gz	OHKHAWWMVPDIGT-WBVHZDCISA-N	1	0	357.454	1.815	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CC(=O)NC)C1	ZINC001186188939	964338616	/nfs/dbraw/zinc/33/86/16/964338616.db2.gz	GAAAYFUKLRHQNV-SJLPKXTDSA-N	1	0	359.445	1.507	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CC(=O)NCC)C1	ZINC001186188980	964339110	/nfs/dbraw/zinc/33/91/10/964339110.db2.gz	HQVLRFXPAIZQNN-SJLPKXTDSA-N	1	0	359.445	1.507	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H](C)NC(N)=O)C1	ZINC001186190247	964341645	/nfs/dbraw/zinc/34/16/45/964341645.db2.gz	YSNKJAFPHMIZNO-YSVLISHTSA-N	1	0	362.449	1.590	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cn2cncn2)C1	ZINC001186213523	964379377	/nfs/dbraw/zinc/37/93/77/964379377.db2.gz	QXAQGUFLQYYLCZ-IEBWSBKVSA-N	1	0	369.444	1.662	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC12CCOCC2	ZINC001186424137	964503111	/nfs/dbraw/zinc/50/31/11/964503111.db2.gz	FEVGUWKKSSRNHT-QKDSSNGWSA-N	1	0	360.498	1.831	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2OCC[C@H]2CC)[C@H]1C	ZINC001178935390	964549126	/nfs/dbraw/zinc/54/91/26/964549126.db2.gz	FPPIUMONNWBZEE-ZMMAXQRCSA-N	1	0	363.502	1.581	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1C[C@@H]2CCN(C(=O)c3cccnc3)[C@@H]2C1	ZINC001186668479	964616382	/nfs/dbraw/zinc/61/63/82/964616382.db2.gz	CNMABBHDHKTLSW-ZWKOTPCHSA-N	1	0	356.470	1.653	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1C1CCOCC1	ZINC001179005896	964617727	/nfs/dbraw/zinc/61/77/27/964617727.db2.gz	BZCIZKKAHAQHGV-ZWKOTPCHSA-N	1	0	365.518	1.618	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	ZINC001179059618	964658472	/nfs/dbraw/zinc/65/84/72/964658472.db2.gz	LEGJOQNUHLZHAQ-VSZNYVQBSA-N	1	0	365.518	1.758	20	30		FDEDRO
C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)[C@H]1C	ZINC001179191291	964783805	/nfs/dbraw/zinc/78/38/05/964783805.db2.gz	PATFYSGUQUBWOF-RDGPPVDQSA-N	1	0	365.518	1.411	20	30		FDEDRO
CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C	ZINC001179415968	964864935	/nfs/dbraw/zinc/86/49/35/964864935.db2.gz	OOFHZTFPNITKIB-FZDIXFNVSA-N	1	0	368.481	1.571	20	30		FDEDRO
C=CCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1	ZINC001179572915	964904344	/nfs/dbraw/zinc/90/43/44/964904344.db2.gz	HMTNILGGFAGQRX-ZWKOTPCHSA-N	1	0	365.518	1.999	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+]C[C@H]1CCc2ncnn21	ZINC001179633258	964940497	/nfs/dbraw/zinc/94/04/97/964940497.db2.gz	AOOWGKJIWSJIMR-ZACQAIPSSA-N	1	0	361.490	1.623	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CCCCCCNC(=O)[C@@H]2CCO[C@H]2C=C)C1=O	ZINC001179634768	964940960	/nfs/dbraw/zinc/94/09/60/964940960.db2.gz	ZMJKQNVBAAZNGO-KURKYZTESA-N	1	0	363.502	1.631	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1CC	ZINC001179642312	964942629	/nfs/dbraw/zinc/94/26/29/964942629.db2.gz	FIKAMPYELRXMEL-ARFHVFGLSA-N	1	0	366.506	1.699	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1	ZINC001179747025	964977527	/nfs/dbraw/zinc/97/75/27/964977527.db2.gz	MBGDMHKYLCAFAP-HNNXBMFYSA-N	1	0	367.490	1.515	20	30		FDEDRO
C=CCCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(c4cc(C)nn4C)C3=O)C[C@H]21	ZINC001187200683	965085651	/nfs/dbraw/zinc/08/56/51/965085651.db2.gz	ZCPUXNBYMJTGCU-YESZJQIVSA-N	1	0	371.485	1.333	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1CC[C@H]2CN(CC(=O)NCC(C)C)C[C@H]21	ZINC001187225928	965100650	/nfs/dbraw/zinc/10/06/50/965100650.db2.gz	MZKPHHRQXLEPLW-IXDOHACOSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CC[NH+](C(C)C)CC1	ZINC001180350945	965242259	/nfs/dbraw/zinc/24/22/59/965242259.db2.gz	JWZGFLWWQKQWCU-IBGZPJMESA-N	1	0	373.497	1.469	20	30		FDEDRO
COCCOCC(=O)N1CC[C@H]2CN(Cc3ccc(C#N)cc3F)C[C@H]21	ZINC001187343842	965270896	/nfs/dbraw/zinc/27/08/96/965270896.db2.gz	PCJLSQBQFSPCLS-FUHWJXTLSA-N	1	0	361.417	1.393	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C(C)(C)C(=C)C)C[C@H]2C)CC1	ZINC000957594539	1013564391	/nfs/dbraw/zinc/56/43/91/1013564391.db2.gz	SZXRPUKGINXHLY-SJLPKXTDSA-N	1	0	359.514	1.897	20	30		FDEDRO
CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1	ZINC001187465691	965378921	/nfs/dbraw/zinc/37/89/21/965378921.db2.gz	MXAFCOYLHOLMPI-UKPHBRMFSA-N	1	0	357.458	1.290	20	30		FDEDRO
N#Cc1nc2ccc(NC(=O)CC[NH+]3CCC(C(N)=O)CC3)cc2s1	ZINC001180612957	965408783	/nfs/dbraw/zinc/40/87/83/965408783.db2.gz	CPPQLIODIKOEBL-UHFFFAOYSA-N	1	0	357.439	1.694	20	30		FDEDRO
N#CC1(CNC(=O)[C@]2(O)CCC[N@H+](Cc3ccccc3)C2)CCOCC1	ZINC001180617539	965413913	/nfs/dbraw/zinc/41/39/13/965413913.db2.gz	SKLKZWMXMUCNGS-FQEVSTJZSA-N	1	0	357.454	1.450	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H](CC#N)C(=O)n1c(=N)sc2c1CC[C@H]([NH3+])C2	ZINC001180783887	965550059	/nfs/dbraw/zinc/55/00/59/965550059.db2.gz	ZBOOKAOVCRDLBA-UWVGGRQHSA-N	1	0	365.459	1.292	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(C(=O)NC)c3)C[C@H]21	ZINC001187706693	965651003	/nfs/dbraw/zinc/65/10/03/965651003.db2.gz	PEOCUCNJEGSGNV-RBUKOAKNSA-N	1	0	353.466	1.882	20	30		FDEDRO
Cc1csc2nc(CN3[C@@H]4CC[C@H]3[C@H](NC(=O)[C@H](C)C#N)C4)cc(=O)n12	ZINC001110395836	965667925	/nfs/dbraw/zinc/66/79/25/965667925.db2.gz	GPPWPBQQICJLJJ-QZKOUSHUSA-N	1	0	371.466	1.446	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](CCCNC(=O)C(F)(F)F)C[C@H]21	ZINC001187820308	965763387	/nfs/dbraw/zinc/76/33/87/965763387.db2.gz	NLJCBDVJMKJMNE-UONOGXRCSA-N	1	0	357.376	1.001	20	30		FDEDRO
CC(C)C#CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc4oc(=O)n(C)c4c3)C[C@H]21	ZINC001187840548	965781156	/nfs/dbraw/zinc/78/11/56/965781156.db2.gz	HATLQBPYIBTXGM-FUHWJXTLSA-N	1	0	367.449	1.824	20	30		FDEDRO
CC(C)C#CC(=O)N1CC[C@H]2C[N@H+](C[C@@H](O)COCc3ccco3)C[C@H]21	ZINC001187827269	965819106	/nfs/dbraw/zinc/81/91/06/965819106.db2.gz	BTCAUXIECHDPIH-YQVWRLOYSA-N	1	0	360.454	1.349	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCOCC4CC4)[C@@H]3C2)C1=O	ZINC001187894961	965831632	/nfs/dbraw/zinc/83/16/32/965831632.db2.gz	FMFRQWQCJBLEOS-RCCFBDPRSA-N	1	0	361.486	1.123	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)COc3cc(C)ccc3F)[C@@H]2C1	ZINC001187924998	965907542	/nfs/dbraw/zinc/90/75/42/965907542.db2.gz	GUMNFXARBAOYBE-FUHWJXTLSA-N	1	0	360.429	1.695	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C2CC3(CC(NC(=O)[C@]45C[C@H]4CCC5)C3)C2)C1=O	ZINC000964455213	1013611756	/nfs/dbraw/zinc/61/17/56/1013611756.db2.gz	QVCDCWWQINTIHW-RXBVCEFYSA-N	1	0	357.498	1.981	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21	ZINC001188033345	965981756	/nfs/dbraw/zinc/98/17/56/965981756.db2.gz	GCHVECLQQUCATO-IPMKNSEASA-N	1	0	358.486	1.545	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCOCC3=O)[C@@H]2C1	ZINC001188219682	966134184	/nfs/dbraw/zinc/13/41/84/966134184.db2.gz	XGLPTBLYHLQYSV-DLBZAZTESA-N	1	0	351.491	1.348	20	30		FDEDRO
C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)Cc3ccccc3CC)[C@@H]2C1	ZINC001188306515	966229978	/nfs/dbraw/zinc/22/99/78/966229978.db2.gz	FSSUCKAXJNDSTJ-RBUKOAKNSA-N	1	0	355.482	1.626	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3ccncc3)[C@@H]2C1	ZINC001188413550	966307940	/nfs/dbraw/zinc/30/79/40/966307940.db2.gz	PNMBFQMEKLZASV-RYQLBKOJSA-N	1	0	356.470	1.238	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccnc4ccncc43)[C@@H]2C1	ZINC001188663648	966464753	/nfs/dbraw/zinc/46/47/53/966464753.db2.gz	AAOJIJROLGHTEG-HNAYVOBHSA-N	1	0	352.438	1.979	20	30		FDEDRO
C#CCCCCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(CC=C)C3=O)C[C@H]21	ZINC001188807913	966594517	/nfs/dbraw/zinc/59/45/17/966594517.db2.gz	PFGJZHSGYXZETI-IPMKNSEASA-N	1	0	357.498	1.890	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@H+](CCCN3C(=O)CNC3=O)C[C@H]21	ZINC001188896183	966641578	/nfs/dbraw/zinc/64/15/78/966641578.db2.gz	KYWVOZYUDWRYCY-HRCADAONSA-N	1	0	362.474	1.063	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH]c4cnccc34)[C@@H]2C1	ZINC001188932376	966654372	/nfs/dbraw/zinc/65/43/72/966654372.db2.gz	WNBFMHCLMCBGGF-HNAYVOBHSA-N	1	0	354.454	1.841	20	30		FDEDRO
C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cccc(F)c3Cl)[C@@H]2C1	ZINC001189223663	966835544	/nfs/dbraw/zinc/83/55/44/966835544.db2.gz	IWKXJXWEEKJRPY-SWLSCSKDSA-N	1	0	363.820	1.375	20	30		FDEDRO
CCN(CC)C(=O)CCCC(=O)N1CC[C@H]2C[N@H+](CC#CCOC)C[C@H]21	ZINC001189433287	966976660	/nfs/dbraw/zinc/97/66/60/966976660.db2.gz	MMRREOQQCYTIMG-ZWKOTPCHSA-N	1	0	363.502	1.208	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C1(CO)CCN(C(=O)OC(C)(C)C)CC1	ZINC000852177427	967055502	/nfs/dbraw/zinc/05/55/02/967055502.db2.gz	KPOFAGVGRVBIMR-UHFFFAOYSA-N	1	0	369.506	1.763	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](OC)C(F)(F)F)[C@@H]2C1	ZINC001189675347	967140742	/nfs/dbraw/zinc/14/07/42/967140742.db2.gz	GFDDUFCNZRPDIU-MJBXVCDLSA-N	1	0	350.381	1.689	20	30		FDEDRO
COc1ccc(N2CCN(C[C@@H](O)C[N@@H+]3CCC[C@@H](CC#N)C3)CC2)cc1	ZINC000852319981	967219085	/nfs/dbraw/zinc/21/90/85/967219085.db2.gz	UNAQSTBYFLTONA-AZUAARDMSA-N	1	0	372.513	1.804	20	30		FDEDRO
C=CCN(CC(=O)NCc1ccc(N2CCCC2=O)cc1)[C@H](C)COC	ZINC000852358061	967249240	/nfs/dbraw/zinc/24/92/40/967249240.db2.gz	LCINWDGPOOFVBT-MRXNPFEDSA-N	1	0	359.470	1.953	20	30		FDEDRO
C#C[C@H](NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCCO1	ZINC000775327682	967308625	/nfs/dbraw/zinc/30/86/25/967308625.db2.gz	JCQGFUSKKRXTCS-PMACEKPBSA-N	1	0	355.482	1.886	20	30		FDEDRO
N#CCNC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1	ZINC000852475372	967359239	/nfs/dbraw/zinc/35/92/39/967359239.db2.gz	ZWNQUTHFHOBFTO-STQMWFEESA-N	1	0	360.380	1.282	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CNC(=O)c3ccccc3)[C@@H]2C1	ZINC001189930806	967381764	/nfs/dbraw/zinc/38/17/64/967381764.db2.gz	GDZBLLKPKFBXJF-ZWKOTPCHSA-N	1	0	357.454	1.152	20	30		FDEDRO
C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)Cc3ccc4c(c3)COC4)[C@@H]2C1	ZINC001189963831	967458597	/nfs/dbraw/zinc/45/85/97/967458597.db2.gz	YCSUACAIVFUFOB-QFBILLFUSA-N	1	0	369.465	1.094	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CNC(=O)c3ccccc3C)[C@@H]2C1	ZINC001190065510	967498087	/nfs/dbraw/zinc/49/80/87/967498087.db2.gz	HMHGFSGLECVUTH-PKOBYXMFSA-N	1	0	371.481	1.460	20	30		FDEDRO
N#Cc1cccnc1NCCNC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1	ZINC000852703110	967546265	/nfs/dbraw/zinc/54/62/65/967546265.db2.gz	MGZOHYIYDWYXHL-GOSISDBHSA-N	1	0	364.453	1.939	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(N3CCOC3=O)CC2)cc1	ZINC000852720429	967551822	/nfs/dbraw/zinc/55/18/22/967551822.db2.gz	GAWNONIKDMVUCE-KRWDZBQOSA-N	1	0	359.426	1.409	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)Nn1cnc2sc3c(c2c1=O)CCCC3	ZINC000852801783	967617037	/nfs/dbraw/zinc/61/70/37/967617037.db2.gz	YYIKFOFMSSUAEH-UHFFFAOYSA-N	1	0	356.451	1.410	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1	ZINC000852815542	967627368	/nfs/dbraw/zinc/62/73/68/967627368.db2.gz	WKOYXVMYIOCZOI-UHFFFAOYSA-N	1	0	361.392	1.252	20	30		FDEDRO
CC[C@H]([NH2+]C)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1	ZINC000852816733	967628796	/nfs/dbraw/zinc/62/87/96/967628796.db2.gz	DVMGYWWXUSYLMW-PTJLRZKYSA-N	1	0	352.460	1.436	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccnc(-n4ccnc4)c3)[C@@H]2C1	ZINC001190204101	967660038	/nfs/dbraw/zinc/66/00/38/967660038.db2.gz	PNLKVFXMINMSGM-ZWKOTPCHSA-N	1	0	367.453	1.616	20	30		FDEDRO
C=CC[C@]1(C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)CCC[NH2+]1	ZINC000852857793	967661864	/nfs/dbraw/zinc/66/18/64/967661864.db2.gz	GIWKQSZMDRLIIS-GOSISDBHSA-N	1	0	362.861	1.913	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCC(c2nc(-c3ccccn3)no2)CC1	ZINC000852864277	967669474	/nfs/dbraw/zinc/66/94/74/967669474.db2.gz	QZMGQPADGFYRHL-UHFFFAOYSA-N	1	0	365.437	1.841	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N[C@@H](C(=O)Nc1cc[nH]n1)c1ccccc1	ZINC000852866090	967671720	/nfs/dbraw/zinc/67/17/20/967671720.db2.gz	FGTNDZAZSFFBBS-GOSISDBHSA-N	1	0	351.410	1.209	20	30		FDEDRO
CC1(C)NC(=O)N(c2cccc(NC(=O)C#CC3CC[NH2+]CC3)c2)C1=O	ZINC000852889662	967692455	/nfs/dbraw/zinc/69/24/55/967692455.db2.gz	PFXGSIJRGNJCQA-UHFFFAOYSA-N	1	0	354.410	1.463	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CCC(=O)N(CC)CC)[C@@H]2C1	ZINC001190297114	967745039	/nfs/dbraw/zinc/74/50/39/967745039.db2.gz	BNWYSCPSWXIHSV-DLBZAZTESA-N	1	0	351.491	1.370	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2	ZINC001110660387	967820596	/nfs/dbraw/zinc/82/05/96/967820596.db2.gz	CKVCBFGYCZLBLX-MLHJIOFPSA-N	1	0	362.518	1.273	20	30		FDEDRO
C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3csc(C4CC4)n3)[C@@H]2C1	ZINC001190474386	967901679	/nfs/dbraw/zinc/90/16/79/967901679.db2.gz	WYPHGVQWJQHEPF-DZGCQCFKSA-N	1	0	360.483	1.469	20	30		FDEDRO
Cc1c(Br)cncc1C=NNC(=S)NCCC[NH+](C)C	ZINC000853306004	967963797	/nfs/dbraw/zinc/96/37/97/967963797.db2.gz	OWOFGDNHBIAEOH-UHFFFAOYSA-N	1	0	358.309	1.902	20	30		FDEDRO
COc1ccc(CN2CCC(=NNC3=[NH+][C@@H]4CCCC[C@@H]4N3)C2=O)cc1	ZINC000853325095	967971377	/nfs/dbraw/zinc/97/13/77/967971377.db2.gz	QYZOQPUMVNEBPS-IYBDPMFKSA-N	1	0	355.442	1.644	20	30		FDEDRO
C#CC[C@H]([NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1	ZINC000775405071	968031137	/nfs/dbraw/zinc/03/11/37/968031137.db2.gz	UZZYDCUZNGQTSZ-KRWDZBQOSA-N	1	0	357.435	1.627	20	30		FDEDRO
C=CCC1(S(=O)(=O)N2CC[C@@H]3C[N@H+](CCOC)CCO[C@@H]3C2)CC1	ZINC001190784639	968090123	/nfs/dbraw/zinc/09/01/23/968090123.db2.gz	YPPYIPCJODIRSW-HZPDHXFCSA-N	1	0	358.504	1.094	20	30		FDEDRO
C=CCC1(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)c(CO)c2)CC1	ZINC001190806454	968103500	/nfs/dbraw/zinc/10/35/00/968103500.db2.gz	BCSSHJSWYGABIU-UHFFFAOYSA-N	1	0	365.499	1.781	20	30		FDEDRO
C=CCN1CCN(C(=O)c2ccc(CN3CC[NH+](CC)CC3)cc2)CC1	ZINC001190841577	968119690	/nfs/dbraw/zinc/11/96/90/968119690.db2.gz	UUTCHRZMWLHGGT-UHFFFAOYSA-N	1	0	356.514	1.768	20	30		FDEDRO
CNC(=O)[C@@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C(C)C	ZINC000775435300	968273890	/nfs/dbraw/zinc/27/38/90/968273890.db2.gz	VZNQDMLRYRNDBO-DYVFJYSZSA-N	1	0	351.410	1.584	20	30		FDEDRO
N#Cc1ncc(Br)cc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC000853966997	968479721	/nfs/dbraw/zinc/47/97/21/968479721.db2.gz	ZRDIQFJUFDFDJQ-ZDUSSCGKSA-N	1	0	351.248	1.751	20	30		FDEDRO
C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1	ZINC000854024495	968539159	/nfs/dbraw/zinc/53/91/59/968539159.db2.gz	AMFIDVXBAGEZTQ-MRXNPFEDSA-N	1	0	367.490	1.474	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1	ZINC000854113437	968606468	/nfs/dbraw/zinc/60/64/68/968606468.db2.gz	MVGXBGMGEYDWCW-GOSISDBHSA-N	1	0	357.454	1.439	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@H+](CC/C=C\c2cccc(OC)c2)C[C@H]1O	ZINC001191754621	968758741	/nfs/dbraw/zinc/75/87/41/968758741.db2.gz	ANGYXVVAFMUIGN-ZSKSOVMSSA-N	1	0	360.454	1.462	20	30		FDEDRO
Cc1ncc(C(=O)Nc2ccc(N3CC[NH+](CCO)CC3)cc2)cc1C#N	ZINC001192294508	969048865	/nfs/dbraw/zinc/04/88/65/969048865.db2.gz	VEKIDUVXDUFXFF-UHFFFAOYSA-N	1	0	365.437	1.628	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)c2ccn[nH]c2=O)[C@H]2CC[C@H]([NH3+])CC2)cc1	ZINC001192405310	969117719	/nfs/dbraw/zinc/11/77/19/969117719.db2.gz	XQLQXPNQCXNWKX-WKILWMFISA-N	1	0	351.410	1.966	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCCc2cccc(OC)c2)C[C@H]1O	ZINC001192547004	969157188	/nfs/dbraw/zinc/15/71/88/969157188.db2.gz	KXGMETOANREFEQ-GGPKGHCWSA-N	1	0	362.470	1.116	20	30		FDEDRO
Cc1ccc(OCCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)cc1C	ZINC001192862895	969346012	/nfs/dbraw/zinc/34/60/12/969346012.db2.gz	XSNNTEDKGLAREZ-WOJBJXKFSA-N	1	0	356.466	1.647	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCCc2ccc(Cl)cc2)C[C@H]1O	ZINC001192898914	969353508	/nfs/dbraw/zinc/35/35/08/969353508.db2.gz	CZQJDFGVRQQGBW-BMGDILEWSA-N	1	0	364.873	1.472	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O	ZINC001192916798	969364374	/nfs/dbraw/zinc/36/43/74/969364374.db2.gz	QYQBRQJAZRUJNU-QZTJIDSGSA-N	1	0	354.491	1.337	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1O	ZINC001192924778	969382581	/nfs/dbraw/zinc/38/25/81/969382581.db2.gz	NQPXMWXZJFGOFF-KZNAEPCWSA-N	1	0	354.491	1.337	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccc(F)cc2)C[C@H]1O	ZINC001193337284	969642122	/nfs/dbraw/zinc/64/21/22/969642122.db2.gz	NEDOQNRVITTYBX-KZNAEPCWSA-N	1	0	364.461	1.493	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1CN(Cc2ccccc2F)C[C@H]1O)OCC	ZINC001193422314	969697382	/nfs/dbraw/zinc/69/73/82/969697382.db2.gz	OUTLMPQCAUQDPN-KZNAEPCWSA-N	1	0	350.434	1.858	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2c2ccccc2)C1	ZINC001193601692	969787847	/nfs/dbraw/zinc/78/78/47/969787847.db2.gz	JYNMHWUYRIGHJB-CEXWTWQISA-N	1	0	359.470	1.019	20	30		FDEDRO
COc1ccc(C#N)c(S(=O)(=O)N2CCO[C@H](C[NH+]3CCCC3)C2)c1	ZINC001193675083	969805351	/nfs/dbraw/zinc/80/53/51/969805351.db2.gz	OEGBUVPIOKXKIC-MRXNPFEDSA-N	1	0	365.455	1.052	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]2O)CCOCC1	ZINC001193726883	969817426	/nfs/dbraw/zinc/81/74/26/969817426.db2.gz	GFLWQKWOBZXHSX-RTBURBONSA-N	1	0	360.498	1.858	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2c(C)csc2=O)C1	ZINC001193805342	969872584	/nfs/dbraw/zinc/87/25/84/969872584.db2.gz	LXTACVQTGNTITL-BPLDGKMQSA-N	1	0	353.488	1.124	20	30		FDEDRO
CCCCCCCCOCC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O	ZINC001193828066	969884777	/nfs/dbraw/zinc/88/47/77/969884777.db2.gz	JKGCIASTSRPOEQ-RTBURBONSA-N	1	0	370.534	1.951	20	30		FDEDRO
C=CC[N@@H+](C)CCN(CC)[C@H](C)C(=O)N1CCC[C@@H](C(=O)OCC)C1	ZINC001193914174	969922287	/nfs/dbraw/zinc/92/22/87/969922287.db2.gz	QRSZRXGQKFSJDG-IAGOWNOFSA-N	1	0	353.507	1.616	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cncn3)cc2)C1	ZINC001193919389	969925559	/nfs/dbraw/zinc/92/55/59/969925559.db2.gz	VOZWJUXRKQLQSG-RTBURBONSA-N	1	0	369.469	1.789	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)c2c(C)noc2C)C1	ZINC001194226700	970057046	/nfs/dbraw/zinc/05/70/46/970057046.db2.gz	BFMAMJIHIPOFKB-DAXOMENPSA-N	1	0	351.447	1.149	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)NCCCCCC)C1	ZINC000250287227	1013943008	/nfs/dbraw/zinc/94/30/08/1013943008.db2.gz	MTQOVDOTEVMMBA-CVEARBPZSA-N	1	0	366.506	1.795	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3ccccc3c2O)C1	ZINC001194365689	970129408	/nfs/dbraw/zinc/12/94/08/970129408.db2.gz	RVZYNIAHGJFEGO-MORSLUCNSA-N	1	0	355.438	1.658	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(N3CCCC3)ccn2)C1	ZINC001194468096	970180780	/nfs/dbraw/zinc/18/07/80/970180780.db2.gz	GAGUONDQZSJIBG-ATZDWAIDSA-N	1	0	358.486	1.811	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)c(OC)co2)C1	ZINC001194673659	970313161	/nfs/dbraw/zinc/31/31/61/970313161.db2.gz	QWDFJDMYMNXDIA-UKRRQHHQSA-N	1	0	352.431	1.394	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1	ZINC000855403994	970337088	/nfs/dbraw/zinc/33/70/88/970337088.db2.gz	SOMLVNMMRXHIOJ-VQTJNVASSA-N	1	0	365.433	1.475	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1	ZINC000855403995	970337689	/nfs/dbraw/zinc/33/76/89/970337689.db2.gz	SOMLVNMMRXHIOJ-WOJBJXKFSA-N	1	0	365.433	1.475	20	30		FDEDRO
COC(=O)CCN1CC[C@@H]([N@H+](C)CCOCc2ccc(C#N)cc2)C1=O	ZINC001194792497	970401328	/nfs/dbraw/zinc/40/13/28/970401328.db2.gz	TYHXZDYZJNKTFW-QGZVFWFLSA-N	1	0	359.426	1.171	20	30		FDEDRO
C#CCN(CC(=O)OC(C)(C)C)C(=O)CC1([NH+]2CCOCC2)CCCC1	ZINC000855493808	970418562	/nfs/dbraw/zinc/41/85/62/970418562.db2.gz	KUZTXVTZCJEGMM-UHFFFAOYSA-N	1	0	364.486	1.825	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCC(F)(F)F	ZINC001110462159	970431776	/nfs/dbraw/zinc/43/17/76/970431776.db2.gz	ZTOHKDIUHTUFHU-MCIONIFRSA-N	1	0	359.392	1.580	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCN2CCCC)C1	ZINC001194987751	970588475	/nfs/dbraw/zinc/58/84/75/970588475.db2.gz	CVCLVVKPUXPTOD-CEXWTWQISA-N	1	0	369.550	1.619	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2ccccc2)C1	ZINC001195057639	970642039	/nfs/dbraw/zinc/64/20/39/970642039.db2.gz	FHFTUWKEKHMDCR-IAGOWNOFSA-N	1	0	356.426	1.054	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](CCc2scnc2C)C[C@H]1O	ZINC001195019916	970647605	/nfs/dbraw/zinc/64/76/05/970647605.db2.gz	CDNYDNYPKYLIQI-IIDMSEBBSA-N	1	0	367.515	1.384	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1	ZINC000855822360	970704259	/nfs/dbraw/zinc/70/42/59/970704259.db2.gz	KKIZNPCFWITLGU-MRXNPFEDSA-N	1	0	351.472	1.537	20	30		FDEDRO
C#C[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[C@H]1CCCO1	ZINC000775797568	972553059	/nfs/dbraw/zinc/55/30/59/972553059.db2.gz	DCIUDLWYZTVDPZ-DFKRNIPASA-N	1	0	373.497	1.940	20	30		FDEDRO
Cc1ccc(C(=O)N2CC([NH+](C)C)C2)cc1C#Cc1cnc2cccnn12	ZINC001197903452	972564811	/nfs/dbraw/zinc/56/48/11/972564811.db2.gz	ZHHNFDHTEBPAAP-UHFFFAOYSA-N	1	0	359.433	1.824	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC3(CCC3)CO2)C1	ZINC001198012133	972640261	/nfs/dbraw/zinc/64/02/61/972640261.db2.gz	RDCAEEXWHWSFFJ-BRWVUGGUSA-N	1	0	352.475	1.090	20	30		FDEDRO
COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000775817894	972751741	/nfs/dbraw/zinc/75/17/41/972751741.db2.gz	VCPDSJZYJMAPPX-WMLDXEAASA-N	1	0	358.442	1.631	20	30		FDEDRO
CCCCCCCCCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@H]1O	ZINC001198068855	972760760	/nfs/dbraw/zinc/76/07/60/972760760.db2.gz	NCNDSCYURLCMFN-RCCFBDPRSA-N	1	0	358.523	1.686	20	30		FDEDRO
C=CCc1cc(C[N@H+]2CCC[C@H](CS(=O)(=O)NC)C2)c(O)c(OC)c1	ZINC000863340570	972830357	/nfs/dbraw/zinc/83/03/57/972830357.db2.gz	LQQCXTQBZWELRN-HNNXBMFYSA-N	1	0	368.499	1.891	20	30		FDEDRO
COc1ncc(/C=C/C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cn1	ZINC000775825100	972852357	/nfs/dbraw/zinc/85/23/57/972852357.db2.gz	OMCGDJIPLUFOMS-BQYQJAHWSA-N	1	0	365.437	1.960	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2=O)CCOCC1	ZINC000863554173	973012263	/nfs/dbraw/zinc/01/22/63/973012263.db2.gz	SJSOEVFVVOEEGP-RBUKOAKNSA-N	1	0	371.481	1.839	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CC1	ZINC000863558055	973016015	/nfs/dbraw/zinc/01/60/15/973016015.db2.gz	VHEFBIQCDVMXQD-AWEZNQCLSA-N	1	0	351.397	1.946	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2	ZINC000863572739	973025905	/nfs/dbraw/zinc/02/59/05/973025905.db2.gz	QBLAIXGLPNGGFB-HZPDHXFCSA-N	1	0	366.506	1.714	20	30		FDEDRO
C=CCC[NH2+][C@@H](CNC(=O)[C@H]1C[C@@H](C)CC(=O)N1)c1ccccc1OC	ZINC001198732775	973435269	/nfs/dbraw/zinc/43/52/69/973435269.db2.gz	RTZJUVGJDJXAKG-OIISXLGYSA-N	1	0	359.470	1.933	20	30		FDEDRO
CCC[C@H]1CN(Cn2nc(CC#N)n(C)c2=S)CC[N@@H+]1CCOC	ZINC000794639238	973472696	/nfs/dbraw/zinc/47/26/96/973472696.db2.gz	JHOQVZQKDQPHKZ-AWEZNQCLSA-N	1	0	352.508	1.407	20	30		FDEDRO
C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CN(C)C[C@@H](C)O1)c1ccccc1OC	ZINC001198776749	973511225	/nfs/dbraw/zinc/51/12/25/973511225.db2.gz	UCDHDLIBFOZCNE-HHXXYDBFSA-N	1	0	361.486	1.737	20	30		FDEDRO
C#CCN[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)c1ccccc1OC	ZINC001198916266	973675811	/nfs/dbraw/zinc/67/58/11/973675811.db2.gz	KUONRLYTPUAPIX-KSZLIROESA-N	1	0	352.438	1.613	20	30		FDEDRO
C=C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)c1ccccc1	ZINC001198941129	973718033	/nfs/dbraw/zinc/71/80/33/973718033.db2.gz	ZDKLIXIIAKFFPC-QXAKKESOSA-N	1	0	354.454	1.404	20	30		FDEDRO
C=C[C@@H](C(=O)N[C@@H]1CN(Cc2c(C)noc2C)C[C@H]1O)c1ccccc1	ZINC001198949634	973790071	/nfs/dbraw/zinc/79/00/71/973790071.db2.gz	ALFUQMNOFJLZKG-BHIYHBOVSA-N	1	0	355.438	1.923	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(OCC(N)=O)cc3)C2)nc1	ZINC000794831243	974177680	/nfs/dbraw/zinc/17/76/80/974177680.db2.gz	DRYVSVMNRBQZRX-KRWDZBQOSA-N	1	0	352.394	1.471	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)=C1CCC1)C2	ZINC001110531539	974208465	/nfs/dbraw/zinc/20/84/65/974208465.db2.gz	CPWGFCMRNXKPEC-SVGFKBNWSA-N	1	0	374.485	1.609	20	30		FDEDRO
C[NH+]1CCC(NC(=S)N2CCN(c3ccc(F)cc3C#N)CC2)CC1	ZINC000865267530	974209165	/nfs/dbraw/zinc/20/91/65/974209165.db2.gz	PUOGQLACVUPGEN-UHFFFAOYSA-N	1	0	361.490	1.788	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2-n2ccnn2)C1	ZINC001199488718	974293917	/nfs/dbraw/zinc/29/39/17/974293917.db2.gz	AAAATOVRPHFMLB-QGPMSJSTSA-N	1	0	355.442	1.397	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)NC(=O)C2CCCC2)C1	ZINC001199491106	974298340	/nfs/dbraw/zinc/29/83/40/974298340.db2.gz	YRSDAONFAYYZKO-USXIJHARSA-N	1	0	351.491	1.199	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)C2CCC2)C1	ZINC001199497330	974303242	/nfs/dbraw/zinc/30/32/42/974303242.db2.gz	AODTWHWFWCZOGP-USXIJHARSA-N	1	0	351.491	1.199	20	30		FDEDRO
C#CC[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O)c1ccccc1	ZINC001199505773	974326090	/nfs/dbraw/zinc/32/60/90/974326090.db2.gz	JWLOKCICKBVWNK-PWRODBHTSA-N	1	0	370.493	1.772	20	30		FDEDRO
Cn1ncc2cc(C[NH2+][C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cnc21	ZINC000865541078	974350014	/nfs/dbraw/zinc/35/00/14/974350014.db2.gz	HHDYUEFRVHTICW-SFHVURJKSA-N	1	0	360.421	1.731	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+][C@@H]1CCC[C@@H]1CNS(C)(=O)=O	ZINC000865556170	974358706	/nfs/dbraw/zinc/35/87/06/974358706.db2.gz	RHFNZBCFFCVVCH-GDBMZVCRSA-N	1	0	350.488	1.432	20	30		FDEDRO
C=CCC[C@@H](C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1O)c1ccccc1	ZINC001199566610	974371083	/nfs/dbraw/zinc/37/10/83/974371083.db2.gz	CHGAIOSTPLTITC-VAMGGRTRSA-N	1	0	356.466	1.548	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@H+](CCc3cnn(CC)c3)C[C@H]2O)CCCC1	ZINC001199567240	974372955	/nfs/dbraw/zinc/37/29/55/974372955.db2.gz	MZCLNVSGAVTLNR-QZTJIDSGSA-N	1	0	360.502	1.743	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCc2ccc(C)s2)C1	ZINC001199583019	974375171	/nfs/dbraw/zinc/37/51/71/974375171.db2.gz	NTUXNHIAQQTRIE-IAGOWNOFSA-N	1	0	352.500	1.743	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3nnn(C)c32)C1	ZINC001199575484	974379625	/nfs/dbraw/zinc/37/96/25/974379625.db2.gz	UDGYLOVMQOMHFC-IAGOWNOFSA-N	1	0	359.474	1.714	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C/C=C/c2ccc(C)cc2)C1	ZINC001199591708	974395520	/nfs/dbraw/zinc/39/55/20/974395520.db2.gz	SAAJXLFQJCISHL-GNSUUKICSA-N	1	0	371.481	1.250	20	30		FDEDRO
C[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC[N@@H+]1C	ZINC000775997251	974396339	/nfs/dbraw/zinc/39/63/39/974396339.db2.gz	ABXZXPNSMQHYGW-CVEARBPZSA-N	1	0	361.515	1.093	20	30		FDEDRO
N#Cc1cnc(C(=O)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cn1	ZINC001199664393	974450107	/nfs/dbraw/zinc/45/01/07/974450107.db2.gz	DPYZEAYGCSAAHE-NVXWUHKLSA-N	1	0	367.384	1.465	20	30		FDEDRO
CC(C)(C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)CS(N)(=O)=O	ZINC000865813774	974515415	/nfs/dbraw/zinc/51/54/15/974515415.db2.gz	GIFDEPPDZYMZKW-UHFFFAOYSA-N	1	0	364.515	1.427	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCC)CC1	ZINC000866015788	974623713	/nfs/dbraw/zinc/62/37/13/974623713.db2.gz	SDPVCXXHRLUIPD-LJQANCHMSA-N	1	0	371.481	1.948	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@H]1c2ccccc2CN1C	ZINC000867333880	974627029	/nfs/dbraw/zinc/62/70/29/974627029.db2.gz	ICUVIQGDUDRWAM-IBGZPJMESA-N	1	0	362.433	1.820	20	30		FDEDRO
C=CCOC(=O)N[C@H]1CCCN(C(=S)NCC[NH+]2CCCCC2)C1	ZINC001200427119	974783732	/nfs/dbraw/zinc/78/37/32/974783732.db2.gz	ABEIDMCNCYABCD-HNNXBMFYSA-N	1	0	354.520	1.723	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)N[C@H](C)C(C)C)CC1	ZINC001200627851	974847278	/nfs/dbraw/zinc/84/72/78/974847278.db2.gz	HMWPROCKPUBKLV-NXHRZFHOSA-N	1	0	365.518	1.709	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]CCO[C@@H]2CC2(F)F)CC1	ZINC001200637474	974852654	/nfs/dbraw/zinc/85/26/54/974852654.db2.gz	UTZYFFACBFVIBP-OWCLPIDISA-N	1	0	358.429	1.972	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]CCCN2CCCC2=O)CC1	ZINC001200637514	974854026	/nfs/dbraw/zinc/85/40/26/974854026.db2.gz	WEGSMCUKJGVVQG-MSOLQXFVSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC(=O)N(c3cn[nH]c3)C1)C2	ZINC001110561086	974980239	/nfs/dbraw/zinc/98/02/39/974980239.db2.gz	MJFCDXYJKVBDGX-ABFRBSLYSA-N	1	0	357.458	1.450	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)CCCO1	ZINC001201611961	975097477	/nfs/dbraw/zinc/09/74/77/975097477.db2.gz	KXIVOOUAHZPNJB-KZNAEPCWSA-N	1	0	362.474	1.071	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CCn2cccn2)C1	ZINC001201620889	975099705	/nfs/dbraw/zinc/09/97/05/975099705.db2.gz	GTKUNBFDLZZFAG-SQNIBIBYSA-N	1	0	362.474	1.071	20	30		FDEDRO
C#C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)[C@H]1CCCO1	ZINC000776229255	975210824	/nfs/dbraw/zinc/21/08/24/975210824.db2.gz	VPNCSTNBFMNPRI-VNTMZGSJSA-N	1	0	371.481	1.349	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)NC(=O)COC)C2	ZINC001110584957	975317907	/nfs/dbraw/zinc/31/79/07/975317907.db2.gz	RQVDJOXOMSPQAP-VQHPVUNQSA-N	1	0	351.491	1.605	20	30		FDEDRO
C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(C#N)ccc1F	ZINC000866122974	975417720	/nfs/dbraw/zinc/41/77/20/975417720.db2.gz	WAJDSMHLDGOHSH-HNNXBMFYSA-N	1	0	364.421	1.768	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@]2(c3ccccc3)CCC(=O)NC2)CC1	ZINC000847515144	975758539	/nfs/dbraw/zinc/75/85/39/975758539.db2.gz	MLOAVLFRNKUISQ-NRFANRHFSA-N	1	0	353.466	1.438	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1	ZINC000866666661	975888985	/nfs/dbraw/zinc/88/89/85/975888985.db2.gz	UHPZNPJWJMGANG-FHWLQOOXSA-N	1	0	357.454	1.991	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000847608343	975904652	/nfs/dbraw/zinc/90/46/52/975904652.db2.gz	TWBHCLINCFMLTP-NVXWUHKLSA-N	1	0	373.428	1.909	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12	ZINC000847608344	975904757	/nfs/dbraw/zinc/90/47/57/975904757.db2.gz	TWBHCLINCFMLTP-RDJZCZTQSA-N	1	0	373.428	1.909	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)CC1CCN(S(C)(=O)=O)CC1	ZINC000847664992	975955089	/nfs/dbraw/zinc/95/50/89/975955089.db2.gz	NXJACKOFSNUCLL-OAHLLOKOSA-N	1	0	358.504	1.325	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc3c(C#N)c[nH]c3c2)CC1	ZINC000866716863	975955284	/nfs/dbraw/zinc/95/52/84/975955284.db2.gz	SWWPFHGNNMXABT-SFHVURJKSA-N	1	0	365.437	1.418	20	30		FDEDRO
C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C1	ZINC000847738140	976013312	/nfs/dbraw/zinc/01/33/12/976013312.db2.gz	HAWQXSULRAOPOD-KDOFPFPSSA-N	1	0	368.478	1.146	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1	ZINC000866774665	976028016	/nfs/dbraw/zinc/02/80/16/976028016.db2.gz	PCXONLOQDOOAJL-QRTARXTBSA-N	1	0	367.446	1.604	20	30		FDEDRO
O=C(N[C@@H]1CCCN(O)C1=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F	ZINC000848133075	976358613	/nfs/dbraw/zinc/35/86/13/976358613.db2.gz	RZGCKBHTIBIVNT-LSDHHAIUSA-N	1	0	367.396	1.640	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cc(F)cc(C#N)c1	ZINC000867581874	976422127	/nfs/dbraw/zinc/42/21/27/976422127.db2.gz	PLBCKQRTHLCLPV-UHFFFAOYSA-N	1	0	369.462	1.676	20	30		FDEDRO
C=CCN(C(=O)[C@H](O)c1cnc[nH]1)[C@H](Cc1ccccc1)C(=O)OCC	ZINC000867638540	976552235	/nfs/dbraw/zinc/55/22/35/976552235.db2.gz	VAHGTFXUMFNZBG-IAGOWNOFSA-N	1	0	357.410	1.632	20	30		FDEDRO
Cn1cnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(C#N)c(F)c2)c1	ZINC001095311241	976576182	/nfs/dbraw/zinc/57/61/82/976576182.db2.gz	FEYFFDJBXBJPCB-HFTRVMKXSA-N	1	0	353.401	1.966	20	30		FDEDRO
COc1cc(NC(=O)[C@H]([NH3+])CCCCC#N)c(C(=O)N(C)C)cc1OC	ZINC000848397090	976718041	/nfs/dbraw/zinc/71/80/41/976718041.db2.gz	ZPDXZTOJWFVQCN-CYBMUJFWSA-N	1	0	362.430	1.755	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	ZINC000848411988	976723082	/nfs/dbraw/zinc/72/30/82/976723082.db2.gz	WXSVDNZYGBXHQZ-IBGZPJMESA-N	1	0	358.486	1.923	20	30		FDEDRO
CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]([NH3+])CCCCC#N)cc2)CC1	ZINC000848428680	976729845	/nfs/dbraw/zinc/72/98/45/976729845.db2.gz	GPGJSURPQQOGIT-LJQANCHMSA-N	1	0	371.485	1.383	20	30		FDEDRO
C[C@@]1(c2cccc(-c3noc([C@@H](N)CCCCC#N)n3)c2)NC(=O)NC1=O	ZINC000848626990	976961164	/nfs/dbraw/zinc/96/11/64/976961164.db2.gz	VVBYCAQBBSHEQI-UGSOOPFHSA-N	1	0	368.397	1.875	20	30		FDEDRO
COC(=O)[C@H](NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)C1CCCCC1	ZINC000867927503	977100053	/nfs/dbraw/zinc/10/00/53/977100053.db2.gz	HRAJLAYAJZNPFW-MSOLQXFVSA-N	1	0	355.438	1.983	20	30		FDEDRO
Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000867941249	977119953	/nfs/dbraw/zinc/11/99/53/977119953.db2.gz	FEUHSDFWLBESKY-BUXKBTBVSA-N	1	0	351.454	1.843	20	30		FDEDRO
COC(=O)c1ccc(CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)s1	ZINC000867980332	977164429	/nfs/dbraw/zinc/16/44/29/977164429.db2.gz	QZLNRKXOSHSSGG-MRXNPFEDSA-N	1	0	355.419	1.910	20	30		FDEDRO
CC(C)CC(=O)N1CCN(C(=O)CCCCCNC2=[NH+]CCN2C)CC1	ZINC000849049920	977292227	/nfs/dbraw/zinc/29/22/27/977292227.db2.gz	LLYJJDYKTDDIIC-UHFFFAOYSA-N	1	0	365.522	1.155	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCC(C)(C)Oc1cc(F)cc(F)c1	ZINC000849051832	977293954	/nfs/dbraw/zinc/29/39/54/977293954.db2.gz	XYJOQFDESLSDHU-UHFFFAOYSA-N	1	0	370.444	1.619	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1ccnc(Oc2ccccc2)c1	ZINC000849058074	977298332	/nfs/dbraw/zinc/29/83/32/977298332.db2.gz	HIUJEYAWUGKJJI-UHFFFAOYSA-N	1	0	369.469	1.871	20	30		FDEDRO
C[NH+]=C(NCCOc1ccccc1C(C)(C)C)NCCN1CCOCC1	ZINC000849097223	977314298	/nfs/dbraw/zinc/31/42/98/977314298.db2.gz	IGOPOLYIQHAAHK-UHFFFAOYSA-N	1	0	362.518	1.860	20	30		FDEDRO
CCOCCC[NH+]=C(NCc1ccc(OC)cc1)NC[C@@H]1CNC(=O)C1	ZINC000849109623	977319741	/nfs/dbraw/zinc/31/97/41/977319741.db2.gz	BDQBRITUQJPKIY-INIZCTEOSA-N	1	0	362.474	1.293	20	30		FDEDRO
N#Cc1ccccc1N1CCC(NC(=O)N[C@H](C[NH3+])C(F)(F)F)CC1	ZINC000868169508	977331711	/nfs/dbraw/zinc/33/17/11/977331711.db2.gz	YJLKFPXPLKAVNW-CQSZACIVSA-N	1	0	355.364	1.716	20	30		FDEDRO
N#Cc1cccc([C@H](NC(=O)NCCCN2CC[NH2+]CC2)C(F)(F)F)c1	ZINC000868210444	977347365	/nfs/dbraw/zinc/34/73/65/977347365.db2.gz	OVMPODFZBITUBN-HNNXBMFYSA-N	1	0	369.391	1.756	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1C#N	ZINC000868250626	977393159	/nfs/dbraw/zinc/39/31/59/977393159.db2.gz	GQPHKVDDGUZLPE-CQSZACIVSA-N	1	0	356.426	1.353	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CC3(CC(=O)N3Cc3ccccc3)C2)CC1	ZINC000868283862	977443574	/nfs/dbraw/zinc/44/35/74/977443574.db2.gz	JDKBSXAFSDHXPX-UHFFFAOYSA-N	1	0	368.481	1.833	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)C(=O)Nc1ccc3c(c1)C[NH2+]CC3)C2	ZINC000868317063	977493561	/nfs/dbraw/zinc/49/35/61/977493561.db2.gz	VVNFRGUQRAXHGY-LJQANCHMSA-N	1	0	360.417	1.426	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1	ZINC000868359267	977531412	/nfs/dbraw/zinc/53/14/12/977531412.db2.gz	WHIRLBFVVZZJAS-UZLBHIALSA-N	1	0	369.513	1.598	20	30		FDEDRO
C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@H]1c1ccnn1CC	ZINC001114423447	977640026	/nfs/dbraw/zinc/64/00/26/977640026.db2.gz	OFMGQWUKYVAOOE-RFXPCRSYSA-N	1	0	358.486	1.993	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cnn(CC#N)c2)[C@H](c2cnn(C)c2)C1	ZINC000849514163	977706756	/nfs/dbraw/zinc/70/67/56/977706756.db2.gz	ZSSQLGHUYZOLSJ-IRXDYDNUSA-N	1	0	355.446	1.593	20	30		FDEDRO
C#CCCN1CCN(C(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)CC1	ZINC000849516234	977708618	/nfs/dbraw/zinc/70/86/18/977708618.db2.gz	HCAOPXRALPBAOD-WOJBJXKFSA-N	1	0	371.529	1.402	20	30		FDEDRO
CCN(C(=O)C(=O)Nc1ccc(F)cc1OCC#N)[C@@H]1CC[N@H+](CC)C1	ZINC000850607420	978476787	/nfs/dbraw/zinc/47/67/87/978476787.db2.gz	IQPOXJRTSUKFPI-CQSZACIVSA-N	1	0	362.405	1.609	20	30		FDEDRO
CCN(C(=O)C(=O)Nc1ccccc1O[C@H](C)C#N)[C@H]1CC[N@H+](CC)C1	ZINC000850607823	978478270	/nfs/dbraw/zinc/47/82/70/978478270.db2.gz	RVNOBVIOQKUHBP-CABCVRRESA-N	1	0	358.442	1.859	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1	ZINC000850765682	978664931	/nfs/dbraw/zinc/66/49/31/978664931.db2.gz	OUPUMEFPNBEXEU-HNNXBMFYSA-N	1	0	353.444	1.070	20	30		FDEDRO
N#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(c3ccc(F)cc3)CC1)C2	ZINC001110629279	978804706	/nfs/dbraw/zinc/80/47/06/978804706.db2.gz	PGXMRSWKNLNXOQ-ZACQAIPSSA-N	1	0	370.428	1.219	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1	ZINC000968002502	1014541154	/nfs/dbraw/zinc/54/11/54/1014541154.db2.gz	CKQSMZJHAKIOGS-AYBZRNKSSA-N	1	0	363.502	1.369	20	30		FDEDRO
C[C@@H]1CC[C@H](CO)[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000880439764	979197732	/nfs/dbraw/zinc/19/77/32/979197732.db2.gz	JMFJPZHGUXBPFM-OAGGEKHMSA-N	1	0	362.499	1.302	20	30		FDEDRO
C#CCC1(O)CC[NH+]([C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)CC1	ZINC000880478256	979219519	/nfs/dbraw/zinc/21/95/19/979219519.db2.gz	YMCQHJCLTURNHZ-SFHVURJKSA-N	1	0	355.482	1.574	20	30		FDEDRO
C#CCC1(O)CC[NH+]([C@H](C)C(=O)NCCc2ccc3c(c2)OCCO3)CC1	ZINC000880481759	979221471	/nfs/dbraw/zinc/22/14/71/979221471.db2.gz	NMMFZPRAIWPPKG-MRXNPFEDSA-N	1	0	372.465	1.355	20	30		FDEDRO
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC[C@H]([NH+]2CCOCC2)CC1	ZINC000852009902	979270764	/nfs/dbraw/zinc/27/07/64/979270764.db2.gz	QLRCPPDUSWMDCJ-RBUKOAKNSA-N	1	0	357.454	1.959	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCC[S@](=O)CC(F)(F)F)CC1	ZINC000852072826	979327867	/nfs/dbraw/zinc/32/78/67/979327867.db2.gz	KHNDQVKPJHXJJE-QHCPKHFHSA-N	1	0	355.426	1.637	20	30		FDEDRO
N#Cc1ccc(Cn2cc(NC(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)cn2)cc1	ZINC000880652234	979374132	/nfs/dbraw/zinc/37/41/32/979374132.db2.gz	GIXFZMFRAFXBMT-ZWKOTPCHSA-N	1	0	366.425	1.086	20	30		FDEDRO
O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)N[C@@H]1CCCN(O)C1=O	ZINC000881129750	979702817	/nfs/dbraw/zinc/70/28/17/979702817.db2.gz	HJKMIWSHUMUCLM-DLBZAZTESA-N	1	0	373.457	1.473	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)Nc3cccc(CC#N)n3)cn2)CC1	ZINC000881154694	979719875	/nfs/dbraw/zinc/71/98/75/979719875.db2.gz	ADEGKQPLCFFKFM-UHFFFAOYSA-N	1	0	365.441	1.616	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@H]2CCC[N@H+]2CCC)C1	ZINC000968040883	1014602100	/nfs/dbraw/zinc/60/21/00/1014602100.db2.gz	ALNBFARSIIHEER-KURKYZTESA-N	1	0	363.502	1.511	20	30		FDEDRO
C[NH+]1CCN(Cc2cn(Cc3cc(Cl)ccc3OCC#N)nn2)CC1	ZINC000881302694	979820534	/nfs/dbraw/zinc/82/05/34/979820534.db2.gz	GSGQIFGFAVQZSX-UHFFFAOYSA-N	1	0	360.849	1.630	20	30		FDEDRO
N#CCc1ccsc1C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1	ZINC000881628151	980026844	/nfs/dbraw/zinc/02/68/44/980026844.db2.gz	VZASMHLNHZPPBE-UHFFFAOYSA-N	1	0	360.483	1.760	20	30		FDEDRO
C[C@H](C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)n1cnc(C#N)n1	ZINC000882398010	980621048	/nfs/dbraw/zinc/62/10/48/980621048.db2.gz	SIQPJULAMXNCRG-RHSMWYFYSA-N	1	0	365.441	1.634	20	30		FDEDRO
CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1	ZINC000882492639	980675323	/nfs/dbraw/zinc/67/53/23/980675323.db2.gz	BIFWCJLGJZOFND-ZFWWWQNUSA-N	1	0	360.845	1.775	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)c2cccc(F)c2C#N)CCN1c1cc[nH+]cc1	ZINC000882621057	980761045	/nfs/dbraw/zinc/76/10/45/980761045.db2.gz	IJPWICYSRIAVCU-ZDUSSCGKSA-N	1	0	360.414	1.992	20	30		FDEDRO
N#CCOc1ccccc1C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000882629181	980766056	/nfs/dbraw/zinc/76/60/56/980766056.db2.gz	HBFDIDJTSLNYIV-KRWDZBQOSA-N	1	0	372.469	1.115	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc(N3CCCC3)n1)C2	ZINC001110742714	981959887	/nfs/dbraw/zinc/95/98/87/981959887.db2.gz	PLBLMQZXALHHJI-NXHRZFHOSA-N	1	0	371.485	1.615	20	30		FDEDRO
CC(=O)NC[C@@H]1CCC[N@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1	ZINC000131091522	981980280	/nfs/dbraw/zinc/98/02/80/981980280.db2.gz	YVAQVMGDSWFCTB-KRWDZBQOSA-N	1	0	352.442	1.931	20	30		FDEDRO
C=CCC[C@H]([NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)[C@H]1CCCO1	ZINC000883184092	982001820	/nfs/dbraw/zinc/00/18/20/982001820.db2.gz	PBJCGBZTZMZTDN-ZWKOTPCHSA-N	1	0	373.501	1.619	20	30		FDEDRO
C=CCC[C@H](COc1ccccc1)[NH2+]CC1(O)CCS(=O)(=O)CC1	ZINC000883191383	982006841	/nfs/dbraw/zinc/00/68/41/982006841.db2.gz	AAXDNLKRGBTAQZ-MRXNPFEDSA-N	1	0	353.484	1.930	20	30		FDEDRO
C#CC1(F)CN(C(=O)NCc2cccc(OCC[N@@H+](C)CCOC)c2)C1	ZINC000883315625	982066832	/nfs/dbraw/zinc/06/68/32/982066832.db2.gz	RYICMAYWJLIBNZ-UHFFFAOYSA-N	1	0	363.433	1.510	20	30		FDEDRO
C=C(C)C[C@H](CO)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(=O)OCC	ZINC000883391400	982109577	/nfs/dbraw/zinc/10/95/77/982109577.db2.gz	JCUJWKYWZNFGAG-RBSFLKMASA-N	1	0	356.463	1.844	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1	ZINC000883533504	982250553	/nfs/dbraw/zinc/25/05/53/982250553.db2.gz	PSMQBGWCDIDQBY-ZWKOTPCHSA-N	1	0	363.502	1.314	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)OCCC[NH+]2CCCC2)ccc1F	ZINC000800129304	982756107	/nfs/dbraw/zinc/75/61/07/982756107.db2.gz	NVMLGBQPDWSWEA-UHFFFAOYSA-N	1	0	370.446	1.933	20	30		FDEDRO
CCc1ccccc1NC(=O)CN(C)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884054688	982774756	/nfs/dbraw/zinc/77/47/56/982774756.db2.gz	NCTSSRQRFYGATP-LFDOHDQPSA-N	1	0	354.454	1.785	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)C2	ZINC000884055032	982775869	/nfs/dbraw/zinc/77/58/69/982775869.db2.gz	ZJCCJUJGICGAQX-SGMNGZOCSA-N	1	0	366.343	1.298	20	30		FDEDRO
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884073253	982821932	/nfs/dbraw/zinc/82/19/32/982821932.db2.gz	DNENUEMPPINSNI-CHWWFWEZSA-N	1	0	352.438	1.965	20	30		FDEDRO
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884075681	982825365	/nfs/dbraw/zinc/82/53/65/982825365.db2.gz	HFHSRPWEIYEGSM-QCGWZAEESA-N	1	0	355.438	1.992	20	30		FDEDRO
C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NCCNc1ccc(C#N)cn1	ZINC000884080078	982835095	/nfs/dbraw/zinc/83/50/95/982835095.db2.gz	KLYBTVUVCINWEY-HNNXBMFYSA-N	1	0	365.441	1.680	20	30		FDEDRO
COc1ccc(CCCNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1OC	ZINC000884107540	982876433	/nfs/dbraw/zinc/87/64/33/982876433.db2.gz	ZKODTSCNHNCOCG-LFDOHDQPSA-N	1	0	357.454	1.892	20	30		FDEDRO
C[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccc(N2CCOC2=O)cc1	ZINC000884109010	982879756	/nfs/dbraw/zinc/87/97/56/982879756.db2.gz	SEKGTBSZAUTNSV-JWBFORJRSA-N	1	0	368.437	1.960	20	30		FDEDRO
C[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccc2c(c1)CC(=O)N2C	ZINC000884124424	982906449	/nfs/dbraw/zinc/90/64/49/982906449.db2.gz	XUDUTDNCKWYTTR-WEMPVXMLSA-N	1	0	352.438	1.522	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCCCNC(=O)c1cccc(F)c1)C2	ZINC000884134381	982917322	/nfs/dbraw/zinc/91/73/22/982917322.db2.gz	FTTZBQARPRCVCK-HVEKOLDVSA-N	1	0	358.417	1.201	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCN(c3c(F)cccc3F)C1=O)C2	ZINC000884165754	982941514	/nfs/dbraw/zinc/94/15/14/982941514.db2.gz	NPBYSLRNWPGDAP-QDAOAWBVSA-N	1	0	374.391	1.326	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCCCc1ccc3c(c1)OCCO3)C2	ZINC000884173459	982946533	/nfs/dbraw/zinc/94/65/33/982946533.db2.gz	WLEOUDOORFYYLW-NGEICVOHSA-N	1	0	355.438	1.646	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1	ZINC000884205290	982981108	/nfs/dbraw/zinc/98/11/08/982981108.db2.gz	RNMKXPZUUBZYEO-IKGGRYGDSA-N	1	0	351.491	1.546	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)Nc1ccccc1NC1CC[NH+](C)CC1	ZINC000884208828	982985266	/nfs/dbraw/zinc/98/52/66/982985266.db2.gz	KWHCMRDIQFCQLM-HNNXBMFYSA-N	1	0	360.458	1.578	20	30		FDEDRO
COc1cccc(N2CCC[C@@H](NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)C2)c1	ZINC000884219402	982993380	/nfs/dbraw/zinc/99/33/80/982993380.db2.gz	OOFYIJIATSDINM-JWRWLIQVSA-N	1	0	368.481	1.920	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1cc(F)ccc1N1CCOCC1)C2	ZINC000884225399	982998573	/nfs/dbraw/zinc/99/85/73/982998573.db2.gz	QORWLXPHXWQZFB-NGEICVOHSA-N	1	0	372.444	1.418	20	30		FDEDRO
N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cc2cccc(C(F)(F)F)c2[nH]c1=O	ZINC000884250588	983026710	/nfs/dbraw/zinc/02/67/10/983026710.db2.gz	JABOBUNAGQPZHM-JOYOIKCWSA-N	1	0	350.300	1.801	20	30		FDEDRO
N#CC1CCN(C(=O)C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)CC1	ZINC000332517028	983066770	/nfs/dbraw/zinc/06/67/70/983066770.db2.gz	ASOIFHGXPLSFQU-DLBZAZTESA-N	1	0	358.417	1.231	20	30		FDEDRO
CC(C)COC(=O)N1CCCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1	ZINC000884309057	983073448	/nfs/dbraw/zinc/07/34/48/983073448.db2.gz	KWQPAGZNBUTNPR-WUJZJPHMSA-N	1	0	362.474	1.453	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCO[C@@H](CCc3ccccc3)C1)C2	ZINC000884313062	983076433	/nfs/dbraw/zinc/07/64/33/983076433.db2.gz	VLIRKWKEAFEUGG-JMDAGXMHSA-N	1	0	353.466	1.986	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCCN(c3ccccc3F)C1=O)C2	ZINC000884321712	983082991	/nfs/dbraw/zinc/08/29/91/983082991.db2.gz	WFMBREYRBVGRDL-OOJDGGTISA-N	1	0	370.428	1.577	20	30		FDEDRO
COc1cc(NCCNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc(OC)c1	ZINC000884326984	983088083	/nfs/dbraw/zinc/08/80/83/983088083.db2.gz	GHHNXXPYCFDKMD-SHYRYGCCSA-N	1	0	358.442	1.371	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCOc1ncccc1C(F)(F)F)C2	ZINC000884379732	983127875	/nfs/dbraw/zinc/12/78/75/983127875.db2.gz	HWEJKOUUDOFZAT-BWBHSNQOSA-N	1	0	368.359	1.735	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCCOc1ncccc1C(F)(F)F)C2	ZINC000884379731	983127938	/nfs/dbraw/zinc/12/79/38/983127938.db2.gz	HWEJKOUUDOFZAT-BGMSHATGSA-N	1	0	368.359	1.735	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCn2cc(Cl)cn2)[nH]1	ZINC001095329235	983146113	/nfs/dbraw/zinc/14/61/13/983146113.db2.gz	BUODIYMSEZVMSF-KBMXLJTQSA-N	1	0	358.833	1.772	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000884450291	983162204	/nfs/dbraw/zinc/16/22/04/983162204.db2.gz	DKBYOJMIJUZIEJ-SZMVWBNQSA-N	1	0	359.470	1.317	20	30		FDEDRO
CCOC(=O)c1cc(C#N)c(C)nc1N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC001202502888	983290924	/nfs/dbraw/zinc/29/09/24/983290924.db2.gz	KEINVXTWSIHMFA-OAHLLOKOSA-N	1	0	358.442	1.597	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])c1	ZINC000653234265	1014968143	/nfs/dbraw/zinc/96/81/43/1014968143.db2.gz	IVOXHYZNBPIAFO-WMLDXEAASA-N	1	0	365.499	1.740	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2	ZINC001110799200	983711635	/nfs/dbraw/zinc/71/16/35/983711635.db2.gz	DRTLKBDMCGELBW-QRQLOZEOSA-N	1	0	365.437	1.252	20	30		FDEDRO
N#Cc1cccnc1NCCNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1	ZINC000861565442	983780472	/nfs/dbraw/zinc/78/04/72/983780472.db2.gz	UEXYQTQSVQITDK-QWHCGFSZSA-N	1	0	370.379	1.534	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1	ZINC000861733286	983880127	/nfs/dbraw/zinc/88/01/27/983880127.db2.gz	UUHSOOZIHJZOLS-GJZGRUSLSA-N	1	0	367.371	1.270	20	30		FDEDRO
CCCCCCCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1	ZINC000861785994	983920101	/nfs/dbraw/zinc/92/01/01/983920101.db2.gz	OPSVMTJPBGCGJH-GVDBMIGSSA-N	1	0	353.507	1.818	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1	ZINC000862031584	984066162	/nfs/dbraw/zinc/06/61/62/984066162.db2.gz	IIMYJUFUSFWUOD-AWEZNQCLSA-N	1	0	361.417	1.624	20	30		FDEDRO
COC(=O)[C@@H]1CC[C@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)O1	ZINC000862137038	984149662	/nfs/dbraw/zinc/14/96/62/984149662.db2.gz	CHEVYGNFDBWQKB-MSOLQXFVSA-N	1	0	371.437	1.359	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCC[C@H]2CNc3ccccc32)CC1	ZINC000884642331	984649762	/nfs/dbraw/zinc/64/97/62/984649762.db2.gz	GSSRQMHLRCJEQN-HNNXBMFYSA-N	1	0	356.470	1.469	20	30		FDEDRO
COC(=O)C1(C#N)CCN(C(=O)NCCC2CC[NH+](C(C)C)CC2)CC1	ZINC000868945378	984711952	/nfs/dbraw/zinc/71/19/52/984711952.db2.gz	CLPRSMVCJBSHEH-UHFFFAOYSA-N	1	0	364.490	1.985	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@H]2c3ccccc3CN2C)CC1	ZINC000869104125	984858141	/nfs/dbraw/zinc/85/81/41/984858141.db2.gz	ANCQUDAKTWMBDM-SFHVURJKSA-N	1	0	354.454	1.344	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1	ZINC000884909038	984956656	/nfs/dbraw/zinc/95/66/56/984956656.db2.gz	MMHZPZFBYWBRBC-SAABIXHNSA-N	1	0	356.470	1.929	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCC(OC2CN(C(=O)OC(C)(C)C)C2)CC1	ZINC000884931788	984980630	/nfs/dbraw/zinc/98/06/30/984980630.db2.gz	CELLGGIFHFSTHV-UHFFFAOYSA-N	1	0	367.490	1.731	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(CCC#N)cc2)CCCO1	ZINC000885141395	985200133	/nfs/dbraw/zinc/20/01/33/985200133.db2.gz	MWDYQLZCOUADPU-MRXNPFEDSA-N	1	0	365.499	1.922	20	30		FDEDRO
C#CCN1CCN(C(=O)CN2CCC[C@H](Oc3ccccc3OC)C2)CC1	ZINC000796567205	1015153792	/nfs/dbraw/zinc/15/37/92/1015153792.db2.gz	QQDNEROBJLKAMF-SFHVURJKSA-N	1	0	371.481	1.316	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCC2)CCN1c1nccn2cnnc12	ZINC000886076364	985861006	/nfs/dbraw/zinc/86/10/06/985861006.db2.gz	NITANXSKIIGOHX-CABCVRRESA-N	1	0	355.446	1.080	20	30		FDEDRO
C#CC[C@@H]1CC[N@@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000886364286	986103111	/nfs/dbraw/zinc/10/31/11/986103111.db2.gz	VKJIYEQMOAWREN-YLJYHZDGSA-N	1	0	368.456	1.880	20	30		FDEDRO
C#CCC1([NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCOCC1	ZINC000886379283	986117797	/nfs/dbraw/zinc/11/77/97/986117797.db2.gz	VAFRSIPKKVDBEJ-UHFFFAOYSA-N	1	0	362.382	1.809	20	30		FDEDRO
CC(C)[C@H](C[NH+](C)C)OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000870567805	986125730	/nfs/dbraw/zinc/12/57/30/986125730.db2.gz	COPPTTUHVVVIJF-CJNGLKHVSA-N	1	0	367.471	1.354	20	30		FDEDRO
C#CCN(C(=O)c1cn(-c2ccc(OC)cc2)nn1)C1CC[NH+](C)CC1	ZINC000886571510	986369944	/nfs/dbraw/zinc/36/99/44/986369944.db2.gz	YKSFHZWXSFJOSX-UHFFFAOYSA-N	1	0	353.426	1.446	20	30		FDEDRO
C#CCN(C(=O)CN1CC[C@@H](c2ccccc2)NC1=O)C1CC[NH+](C)CC1	ZINC000886573498	986372826	/nfs/dbraw/zinc/37/28/26/986372826.db2.gz	LBHIJPMOMYOVSV-IBGZPJMESA-N	1	0	368.481	1.699	20	30		FDEDRO
C#CCN(C(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)C1CC[NH+](C)CC1	ZINC000886574642	986373542	/nfs/dbraw/zinc/37/35/42/986373542.db2.gz	NJFNJNYACWKCFA-CQSZACIVSA-N	1	0	353.422	1.227	20	30		FDEDRO
C#CCN(C(=O)C1CCN(c2oc(C)nc2C#N)CC1)C1CC[NH+](C)CC1	ZINC000886577638	986377814	/nfs/dbraw/zinc/37/78/14/986377814.db2.gz	QVQIZVRCDQBZNJ-UHFFFAOYSA-N	1	0	369.469	1.627	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C1CC[NH+](C)CC1	ZINC000886579656	986381309	/nfs/dbraw/zinc/38/13/09/986381309.db2.gz	CRENTYMOLJGBQU-INIZCTEOSA-N	1	0	365.474	1.178	20	30		FDEDRO
C#CCN(C(=O)c1nc(C)n(-c2ccc(F)cc2)n1)C1CC[NH+](C)CC1	ZINC000886585284	986391068	/nfs/dbraw/zinc/39/10/68/986391068.db2.gz	PIKNWIJLVKZYOF-UHFFFAOYSA-N	1	0	355.417	1.884	20	30		FDEDRO
C#CCN(C(=O)CCCn1c2ccccc2oc1=O)C1CC[NH+](C)CC1	ZINC000886587233	986393832	/nfs/dbraw/zinc/39/38/32/986393832.db2.gz	NAZSKWIELPUECE-UHFFFAOYSA-N	1	0	355.438	1.931	20	30		FDEDRO
CC(C)[NH+]1CCC(CCNC(=O)CCNC(=O)C2N=CC=CC2=O)CC1	ZINC000870958273	986542698	/nfs/dbraw/zinc/54/26/98/986542698.db2.gz	PBFWUEZXZSTIQO-VHEBQXMUSA-N	1	0	362.474	1.530	20	30		FDEDRO
COCCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)[C@@H]1CCC[C@@H]1C#N	ZINC000871085262	986657974	/nfs/dbraw/zinc/65/79/74/986657974.db2.gz	SBAPJKOOJCIDIU-VQHPVUNQSA-N	1	0	374.489	1.589	20	30		FDEDRO
COC(=O)C1CC2(C1)C[N@H+](CCOCCC#N)C[C@H]2C(=O)OC(C)(C)C	ZINC000886883819	986687217	/nfs/dbraw/zinc/68/72/17/986687217.db2.gz	NOOIJASXGSQHME-HVEKOLDVSA-N	1	0	366.458	1.760	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(C(=O)Nc3cc(CC#N)ccn3)CC2)c1	ZINC000871722592	987209296	/nfs/dbraw/zinc/20/92/96/987209296.db2.gz	ORNBLNHLBROWGC-UHFFFAOYSA-N	1	0	352.398	1.905	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=NOCc2cn(C[C@@H]3CCOC3)nn2)cc1	ZINC000871734124	987211654	/nfs/dbraw/zinc/21/16/54/987211654.db2.gz	AGSAHZGHBXIOJP-HNNXBMFYSA-N	1	0	358.446	1.213	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)c1	ZINC000871808861	987254091	/nfs/dbraw/zinc/25/40/91/987254091.db2.gz	INFBYBWXFKYNFK-CQSZACIVSA-N	1	0	353.419	1.134	20	30		FDEDRO
N#CCc1ccc(CS(=O)(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1	ZINC000871813036	987264396	/nfs/dbraw/zinc/26/43/96/987264396.db2.gz	NQFHVNMKELZXLO-KGLIPLIRSA-N	1	0	361.389	1.651	20	30		FDEDRO
CC(C)(C)OC(=O)CN1CCC([NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1	ZINC000872227511	987527249	/nfs/dbraw/zinc/52/72/49/987527249.db2.gz	LAIQTFQHJIAVMB-GOSISDBHSA-N	1	0	359.470	1.987	20	30		FDEDRO
CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2ccc(C)cc2C#N)CC1	ZINC000872454658	987675416	/nfs/dbraw/zinc/67/54/16/987675416.db2.gz	IWSVZHTVZJNKBK-MRXNPFEDSA-N	1	0	364.515	1.419	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)N1CCC(N2CC[NH+](C)CC2)CC1	ZINC000872512366	987736367	/nfs/dbraw/zinc/73/63/67/987736367.db2.gz	VMWQXOKDEPVFCK-UHFFFAOYSA-N	1	0	362.499	1.267	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)c(Cl)c1	ZINC000872617642	987864236	/nfs/dbraw/zinc/86/42/36/987864236.db2.gz	OFSCSDNEAMKCEA-QWHCGFSZSA-N	1	0	355.847	1.041	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)C[NH+]1CCCC1	ZINC000298900332	987940388	/nfs/dbraw/zinc/94/03/88/987940388.db2.gz	AGBAJDPMNVOXIK-INIZCTEOSA-N	1	0	356.474	1.517	20	30		FDEDRO
COc1cc(/C=C/C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1OCC#N	ZINC000360108258	987948259	/nfs/dbraw/zinc/94/82/59/987948259.db2.gz	SKJBXVKOQTXANV-PRPGUUAMSA-N	1	0	371.437	1.590	20	30		FDEDRO
Cn1ncc(CCC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)n1	ZINC000293062777	987959006	/nfs/dbraw/zinc/95/90/06/987959006.db2.gz	UVHMVWVLIFSTGY-UHFFFAOYSA-N	1	0	350.430	1.710	20	30		FDEDRO
C=CCSc1nc2ccccc2n1C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1	ZINC000872714744	988003098	/nfs/dbraw/zinc/00/30/98/988003098.db2.gz	OVUCOODWLWYJMD-BETUJISGSA-N	1	0	356.451	1.819	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC1	ZINC000872802290	988087398	/nfs/dbraw/zinc/08/73/98/988087398.db2.gz	NJZIQZGETCDAHU-UHFFFAOYSA-N	1	0	356.474	1.659	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccnn1Cc1ccc(F)cc1	ZINC000293529699	988101517	/nfs/dbraw/zinc/10/15/17/988101517.db2.gz	ZVCJGFVVMPMQKD-UHFFFAOYSA-N	1	0	371.416	1.080	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)CC1	ZINC000299173740	988198233	/nfs/dbraw/zinc/19/82/33/988198233.db2.gz	ZJGQDWRZRFGIQH-HZPDHXFCSA-N	1	0	356.470	1.979	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H]([NH2+][C@@H]2CCCN(c3ccncn3)C2)C1=O	ZINC000365920007	988227736	/nfs/dbraw/zinc/22/77/36/988227736.db2.gz	CZGWBISJJTWQDI-CABCVRRESA-N	1	0	368.466	1.774	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(Cc2ccc(OC)cc2)C1	ZINC000293853695	988236383	/nfs/dbraw/zinc/23/63/83/988236383.db2.gz	APTZMHAORFHTMU-QGZVFWFLSA-N	1	0	357.454	1.115	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1)[NH+]1CCC(C)CC1	ZINC000872925690	988292510	/nfs/dbraw/zinc/29/25/10/988292510.db2.gz	AEWONHLRUZCQPL-QGZVFWFLSA-N	1	0	370.501	1.905	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)[C@@]3(C#N)CC34CCCC4)ccn2)CC1	ZINC000294604430	988493930	/nfs/dbraw/zinc/49/39/30/988493930.db2.gz	VIELLVGJVWVJEC-FQEVSTJZSA-N	1	0	353.470	1.924	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C[N@@H+]1C1CC1	ZINC000366271405	988591148	/nfs/dbraw/zinc/59/11/48/988591148.db2.gz	UKTDPWRBRZPHBE-KMFMINBZSA-N	1	0	355.442	1.741	20	30		FDEDRO
Cc1nc2ccccc2c(=O)n1CC(=O)N(CCC#N)CCC[NH+](C)C	ZINC000299572157	988603839	/nfs/dbraw/zinc/60/38/39/988603839.db2.gz	BTPODBJYBZLTGP-UHFFFAOYSA-N	1	0	355.442	1.399	20	30		FDEDRO
C[N@H+](Cc1ccccc1)C1(CNC(=O)NCC(=O)NCC#N)CCCCC1	ZINC000873197056	988642972	/nfs/dbraw/zinc/64/29/72/988642972.db2.gz	YIGOTHZWOAHXSL-UHFFFAOYSA-N	1	0	371.485	1.760	20	30		FDEDRO
CCOC(=O)c1cnn(C2CC[NH+](CC(=O)N(CC)CCC#N)CC2)c1	ZINC000295498236	988686115	/nfs/dbraw/zinc/68/61/15/988686115.db2.gz	HEWBTMVACPFHHW-UHFFFAOYSA-N	1	0	361.446	1.459	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CC[NH+]1CCN(c2ccc(=O)[nH]n2)CC1	ZINC000362823457	988740483	/nfs/dbraw/zinc/74/04/83/988740483.db2.gz	RAUWCYHRWONVKK-UHFFFAOYSA-N	1	0	352.398	1.205	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1	ZINC000367770401	988967202	/nfs/dbraw/zinc/96/72/02/988967202.db2.gz	OMHMHVUWXZKPPV-CJNGLKHVSA-N	1	0	359.401	1.329	20	30		FDEDRO
Cc1oc(NC(=O)CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(C#N)c1C	ZINC000363218155	989002878	/nfs/dbraw/zinc/00/28/78/989002878.db2.gz	FZPFVDWFHYXSLV-INIZCTEOSA-N	1	0	359.474	1.418	20	30		FDEDRO
CN1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2CCc2ccccc2)C[C@H]1C#N	ZINC000368700326	989004431	/nfs/dbraw/zinc/00/44/31/989004431.db2.gz	QURLEJATFZTCCK-RBUKOAKNSA-N	1	0	355.486	1.543	20	30		FDEDRO
C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](Cc2nnc3ccccn32)C1)C1CC1	ZINC000368775835	989007918	/nfs/dbraw/zinc/00/79/18/989007918.db2.gz	USTYUAFKCWWOSV-FOIQADDNSA-N	1	0	366.469	1.792	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1	ZINC000369462527	989052649	/nfs/dbraw/zinc/05/26/49/989052649.db2.gz	KEQRQCMXBXEYEN-UHFFFAOYSA-N	1	0	362.434	1.788	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCCN2C(=O)c2ccco2)CC1	ZINC000369591842	989062360	/nfs/dbraw/zinc/06/23/60/989062360.db2.gz	NFTUDGGOOXGLFQ-QGZVFWFLSA-N	1	0	357.454	1.878	20	30		FDEDRO
C[C@@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000369731265	989129437	/nfs/dbraw/zinc/12/94/37/989129437.db2.gz	UGWBHSHIWABVSY-ZDUSSCGKSA-N	1	0	370.482	1.822	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(OC)c(C#N)c2)C[C@@H]1C	ZINC000873759780	989132765	/nfs/dbraw/zinc/13/27/65/989132765.db2.gz	CXMGLZGTGSMQIN-XJKSGUPXSA-N	1	0	358.442	1.837	20	30		FDEDRO
CO[C@@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1cnn(C)c1	ZINC000369747148	989142469	/nfs/dbraw/zinc/14/24/69/989142469.db2.gz	AERCXBQQDHSIMS-GOSISDBHSA-N	1	0	367.453	1.782	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1C#N	ZINC000873773575	989156406	/nfs/dbraw/zinc/15/64/06/989156406.db2.gz	RVDHSZPQWYCTMZ-XJKSGUPXSA-N	1	0	356.426	1.448	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)c1	ZINC000363540246	989281044	/nfs/dbraw/zinc/28/10/44/989281044.db2.gz	UGNXCOJBIUWETA-ATZDWAIDSA-N	1	0	369.465	1.612	20	30		FDEDRO
C#CCN(C(=O)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)C1CCCC1	ZINC000873836454	989286071	/nfs/dbraw/zinc/28/60/71/989286071.db2.gz	WXASYTJACYVKLK-UHFFFAOYSA-N	1	0	357.458	1.493	20	30		FDEDRO
CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(OC)c(C#N)c1	ZINC000873844000	989309936	/nfs/dbraw/zinc/30/99/36/989309936.db2.gz	AJWGLQBMETYTQL-UHFFFAOYSA-N	1	0	358.442	1.840	20	30		FDEDRO
C=C(C)COc1cccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1	ZINC000363681651	989392340	/nfs/dbraw/zinc/39/23/40/989392340.db2.gz	CWIBYFOFFIARMP-WMZOPIPTSA-N	1	0	373.453	1.559	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1	ZINC000363720633	989408065	/nfs/dbraw/zinc/40/80/65/989408065.db2.gz	VNULOKRDKHPISA-CQSZACIVSA-N	1	0	356.405	2.489	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@@H](c1nccn1C)c1ccccc1F	ZINC000296780380	989409210	/nfs/dbraw/zinc/40/92/10/989409210.db2.gz	GWMZMZIZBNUZFJ-QGZVFWFLSA-N	1	0	357.433	1.903	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(F)cc(OC(F)F)c1	ZINC000873896305	989410582	/nfs/dbraw/zinc/41/05/82/989410582.db2.gz	RQZRXRLYBIXYNT-UHFFFAOYSA-N	1	0	357.332	1.437	20	30		FDEDRO
CN1CC[NH+](CC2(C)CCN(CC(=O)Nc3ccc(C#N)cc3)CC2)CC1	ZINC000363799013	989444948	/nfs/dbraw/zinc/44/49/48/989444948.db2.gz	PQOQRYOKVLKIPI-UHFFFAOYSA-N	1	0	369.513	1.846	20	30		FDEDRO
Cc1cc(F)c(C#N)cc1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1	ZINC000873946314	989506102	/nfs/dbraw/zinc/50/61/02/989506102.db2.gz	NZLRGQFOBFZZFN-HNNXBMFYSA-N	1	0	374.416	1.314	20	30		FDEDRO
N#Cc1ccc([C@H](O)CN2CCC[C@H]2C(=O)NCC2CCOCC2)cc1	ZINC000370185653	989531376	/nfs/dbraw/zinc/53/13/76/989531376.db2.gz	RMLYUXUMUIVFCM-RBUKOAKNSA-N	1	0	357.454	1.599	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC3(C2)C[NH+](Cc2ccccc2)C3)cc1	ZINC000873973692	989557064	/nfs/dbraw/zinc/55/70/64/989557064.db2.gz	WAJTVKUZUFZFJN-UHFFFAOYSA-N	1	0	360.417	1.841	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)N2CC3(C2)C[NH+](Cc2ccccc2)C3)n1	ZINC000873974325	989559277	/nfs/dbraw/zinc/55/92/77/989559277.db2.gz	PFOSVPQCMCVIJY-UHFFFAOYSA-N	1	0	361.405	1.236	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)[C@@H](C#N)C1	ZINC000370307800	989646248	/nfs/dbraw/zinc/64/62/48/989646248.db2.gz	DYXQOLAFRPPWNR-PMPSAXMXSA-N	1	0	362.474	1.832	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NC1CCN(C(=O)c2ccccc2F)CC1	ZINC000297727669	989661927	/nfs/dbraw/zinc/66/19/27/989661927.db2.gz	ZCYYBYZDBVZXMP-UHFFFAOYSA-N	1	0	374.460	1.685	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cn1ncc2cccnc21	ZINC000874076506	989713575	/nfs/dbraw/zinc/71/35/75/989713575.db2.gz	NPZGQLFKCDJWJN-UHFFFAOYSA-N	1	0	362.437	1.893	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1	ZINC000874096106	989738752	/nfs/dbraw/zinc/73/87/52/989738752.db2.gz	CVAXHHGNVQUVDY-CQSZACIVSA-N	1	0	358.442	1.859	20	30		FDEDRO
N#Cc1ccccc1N1CCC[C@H](NC(=O)NCC[N@@H+]2CCCOCC2)C1	ZINC000364734836	989749243	/nfs/dbraw/zinc/74/92/43/989749243.db2.gz	LOBIHORSIYFXKK-SFHVURJKSA-N	1	0	371.485	1.549	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1	ZINC000874172089	989868038	/nfs/dbraw/zinc/86/80/38/989868038.db2.gz	WWKIOBCADGSIPS-ZBFHGGJFSA-N	1	0	356.426	1.448	20	30		FDEDRO
N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)NCC[N@H+]2CC=CCC2)c1	ZINC000370630084	989909182	/nfs/dbraw/zinc/90/91/82/989909182.db2.gz	FLSYYQVNAOKKRX-SFHVURJKSA-N	1	0	352.438	1.427	20	30		FDEDRO
CN1CC[NH+]([C@@H]2CCCCN(C(=O)NCCc3cccc(C#N)c3)C2)CC1	ZINC000370718133	989949081	/nfs/dbraw/zinc/94/90/81/989949081.db2.gz	ADXXBNPLDLBHQT-HXUWFJFHSA-N	1	0	369.513	1.912	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1	ZINC000298216400	989966959	/nfs/dbraw/zinc/96/69/59/989966959.db2.gz	GWQVSDFZMVEKPC-QGZVFWFLSA-N	1	0	359.470	1.999	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2cccnc2)CC1	ZINC000370756251	989970102	/nfs/dbraw/zinc/97/01/02/989970102.db2.gz	ZRTZSPFLVORAJB-CYBMUJFWSA-N	1	0	359.430	1.132	20	30		FDEDRO
C[NH+](C)C1CCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1	ZINC000365093248	990018005	/nfs/dbraw/zinc/01/80/05/990018005.db2.gz	ZAGTXLFXDOEVRV-GOSISDBHSA-N	1	0	354.454	1.602	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)CCCN1C(=O)CN(C)C1=O)C(C)C	ZINC000298316554	990037819	/nfs/dbraw/zinc/03/78/19/990037819.db2.gz	YEWSCLWLHHJTOG-INIZCTEOSA-N	1	0	364.490	1.475	20	30		FDEDRO
CC[NH+](CC)CCNC(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000371108666	990254606	/nfs/dbraw/zinc/25/46/06/990254606.db2.gz	KLGFRJSEEKLNAQ-LIRRHRJNSA-N	1	0	355.442	1.383	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCc2c[nH]nc2C1	ZINC000371139561	990274069	/nfs/dbraw/zinc/27/40/69/990274069.db2.gz	MHLKOFJXCPFRLV-GOSISDBHSA-N	1	0	366.469	1.912	20	30		FDEDRO
CCCCCCCCOCC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000365572744	990297772	/nfs/dbraw/zinc/29/77/72/990297772.db2.gz	NVWXNQFFHAXDGA-LJQANCHMSA-N	1	0	369.550	1.886	20	30		FDEDRO
C[C@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1=O)c1cccc(C#N)c1	ZINC000371582447	990546102	/nfs/dbraw/zinc/54/61/02/990546102.db2.gz	VJOODPBTWOECTJ-LPHOPBHVSA-N	1	0	356.470	1.532	20	30		FDEDRO
C=CCN(C(=O)C1CC(=O)NC(=O)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000371585267	990548819	/nfs/dbraw/zinc/54/88/19/990548819.db2.gz	IHEVYWCBAKEACA-QGZVFWFLSA-N	1	0	355.438	1.328	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1	ZINC000371636853	990589864	/nfs/dbraw/zinc/58/98/64/990589864.db2.gz	ZNRSXKATZPFWPI-YCPHGPKFSA-N	1	0	356.426	1.469	20	30		FDEDRO
Cc1nc(C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)ccc1C#N	ZINC000371787797	990721427	/nfs/dbraw/zinc/72/14/27/990721427.db2.gz	FLVQAQVPLYXBAJ-UHFFFAOYSA-N	1	0	355.486	1.751	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(C(=O)NOC)CC1)C(C)C	ZINC000875087896	990869130	/nfs/dbraw/zinc/86/91/30/990869130.db2.gz	UMMKMMNQECDLQG-KRWDZBQOSA-N	1	0	366.506	1.784	20	30		FDEDRO
C#CCOc1ccc(C[N@H+]2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)cc1	ZINC000372029493	990900344	/nfs/dbraw/zinc/90/03/44/990900344.db2.gz	CIJLHMIJWDGMHN-MRXNPFEDSA-N	1	0	354.410	1.914	20	30		FDEDRO
CCC[N@H+](CC)CCNC(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000372217662	990966942	/nfs/dbraw/zinc/96/69/42/990966942.db2.gz	QGNSIBSLVFRNPZ-MGPUTAFESA-N	1	0	369.469	1.773	20	30		FDEDRO
Cc1cc(NC(=O)CCN2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)no1	ZINC000372228658	990972799	/nfs/dbraw/zinc/97/27/99/990972799.db2.gz	ORISRJBNWZCECD-ORAYPTAESA-N	1	0	365.393	1.657	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2[C@@H](O)c2ccccc2)CC1	ZINC000875182329	991022161	/nfs/dbraw/zinc/02/21/61/991022161.db2.gz	KYQOMWZLQJUAAV-MOPGFXCFSA-N	1	0	371.481	1.478	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC2(OC(C)C)CCC2)CC1	ZINC000875182164	991022563	/nfs/dbraw/zinc/02/25/63/991022563.db2.gz	GCGLZADLEGWLHP-UHFFFAOYSA-N	1	0	351.491	1.607	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1	ZINC000875238826	991169472	/nfs/dbraw/zinc/16/94/72/991169472.db2.gz	WEQWZHGEUXLSQL-QGZVFWFLSA-N	1	0	370.501	1.905	20	30		FDEDRO
CN1CCC[C@]2(CC[N@@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)C1=O	ZINC000372552132	991205517	/nfs/dbraw/zinc/20/55/17/991205517.db2.gz	JEMHQBDUKZDQSK-YLJYHZDGSA-N	1	0	352.438	1.608	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1	ZINC000372578262	991237392	/nfs/dbraw/zinc/23/73/92/991237392.db2.gz	LITRBRWXDFVBLS-WMZOPIPTSA-N	1	0	370.453	1.422	20	30		FDEDRO
C=CCN(C(=O)CN1C(=O)CN(C)C1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000372602814	991259158	/nfs/dbraw/zinc/25/91/58/991259158.db2.gz	WVSRDLWMZUQPLN-KRWDZBQOSA-N	1	0	370.453	1.170	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1	ZINC000875295668	991275850	/nfs/dbraw/zinc/27/58/50/991275850.db2.gz	OEYMONDUMBWYFR-QXAKKESOSA-N	1	0	371.481	1.310	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1	ZINC000875347896	991368447	/nfs/dbraw/zinc/36/84/47/991368447.db2.gz	YCRFESBMTUSGOL-SFHVURJKSA-N	1	0	359.470	1.481	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nn(C)cc2C#N)[C@@H](c2cnn(C)c2)C1	ZINC000875397410	991466803	/nfs/dbraw/zinc/46/68/03/991466803.db2.gz	XKCPBYNSRAKZQX-JKSUJKDBSA-N	1	0	355.446	1.478	20	30		FDEDRO
CN1C(=O)C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C2CC2)[C@H]1c1ccc(F)cc1	ZINC000372799331	991541143	/nfs/dbraw/zinc/54/11/43/991541143.db2.gz	GRRPIUWVTVRBSL-KFKAGJAMSA-N	1	0	358.417	1.496	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO	ZINC000875477348	991610579	/nfs/dbraw/zinc/61/05/79/991610579.db2.gz	XWTSEADGYNRPIV-WOJBJXKFSA-N	1	0	373.497	1.871	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CCCO1	ZINC000875533734	991708140	/nfs/dbraw/zinc/70/81/40/991708140.db2.gz	DEFYRHUSCGKHPY-BEFAXECRSA-N	1	0	356.470	1.826	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCCC12CC[NH+](C)CC2	ZINC000410732787	991758311	/nfs/dbraw/zinc/75/83/11/991758311.db2.gz	MQVLMHYZESNSKI-UHFFFAOYSA-N	1	0	354.454	1.603	20	30		FDEDRO
CCCn1nc2c(cc1=O)C[N@@H+](CCC(=O)Nc1ccccc1C#N)CC2	ZINC000373027908	991804181	/nfs/dbraw/zinc/80/41/81/991804181.db2.gz	XIVBIDALTZXKIY-UHFFFAOYSA-N	1	0	365.437	1.912	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH+]1CCC(c2c[nH]c3ccc(C(N)=O)cc32)CC1	ZINC000373125125	991939365	/nfs/dbraw/zinc/93/93/65/991939365.db2.gz	MBTOAYAOWVIPEU-CYBMUJFWSA-N	1	0	352.438	1.584	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1	ZINC000875914919	992188634	/nfs/dbraw/zinc/18/86/34/992188634.db2.gz	RBRLJZBVZBDEGC-GOSISDBHSA-N	1	0	364.534	1.616	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1	ZINC000875920885	992193064	/nfs/dbraw/zinc/19/30/64/992193064.db2.gz	BAWQFZOWXKXARC-KZNAEPCWSA-N	1	0	350.507	1.225	20	30		FDEDRO
C[NH+]1CCC(n2cc(NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cn2)CC1	ZINC000876017431	992253174	/nfs/dbraw/zinc/25/31/74/992253174.db2.gz	HOEYVXLFXLPBHC-KRWDZBQOSA-N	1	0	357.462	1.354	20	30		FDEDRO
N#CC[C@@H](CC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1	ZINC000373527736	992268641	/nfs/dbraw/zinc/26/86/41/992268641.db2.gz	IEYBWSLEPSQGTN-PMACEKPBSA-N	1	0	370.497	1.597	20	30		FDEDRO
COC(=O)C1CC(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1	ZINC000876121197	992334108	/nfs/dbraw/zinc/33/41/08/992334108.db2.gz	ARITYFTXESQOBO-UHFFFAOYSA-N	1	0	370.453	1.727	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CC[NH+](C[C@@H]3CCOC3)CC1)C2	ZINC000876279024	992519563	/nfs/dbraw/zinc/51/95/63/992519563.db2.gz	LYADYLHQRPMHAJ-LPHOPBHVSA-N	1	0	354.454	1.389	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCC(C)(C)CC#N)ccc1OCC[NH+](C)C	ZINC000411654531	992532624	/nfs/dbraw/zinc/53/26/24/992532624.db2.gz	YACYSCVRKCWPKR-UHFFFAOYSA-N	1	0	360.458	1.930	20	30		FDEDRO
CCCN1C(=O)CC[C@@H](C(=O)NCC2(CC#N)CC2)[C@@H]1c1cncn1C	ZINC000374042692	992570236	/nfs/dbraw/zinc/57/02/36/992570236.db2.gz	BMWLBZIKUUTXCH-RHSMWYFYSA-N	1	0	357.458	1.920	20	30		FDEDRO
COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1c(F)cc(C#N)cc1F	ZINC000876471120	992629788	/nfs/dbraw/zinc/62/97/88/992629788.db2.gz	BRYRJJZJJWYJDM-KRWDZBQOSA-N	1	0	353.369	1.256	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCN(C(=O)c2ccccc2F)CC1	ZINC000876581144	992716658	/nfs/dbraw/zinc/71/66/58/992716658.db2.gz	ALFBJKNWVDUJFG-OAHLLOKOSA-N	1	0	353.825	1.970	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1	ZINC000876595196	992728730	/nfs/dbraw/zinc/72/87/30/992728730.db2.gz	YNFQBKUWJMFFDW-HKUYNNGSSA-N	1	0	366.465	1.510	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CCC2C[NH2+]C2)c1	ZINC000876605672	992736614	/nfs/dbraw/zinc/73/66/14/992736614.db2.gz	WKFKELDSWBQDLG-SILNSSARSA-N	1	0	364.471	1.438	20	30		FDEDRO
CC1(C)NC(=O)N(CCC[NH+]2CCC(C#N)(c3ccccn3)CC2)C1=O	ZINC000374291275	992755753	/nfs/dbraw/zinc/75/57/53/992755753.db2.gz	JJQFBVGQUCNRFL-UHFFFAOYSA-N	1	0	355.442	1.659	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(C)(C)CNC(=O)OC(C)(C)C)CC1	ZINC000876634692	992759920	/nfs/dbraw/zinc/75/99/20/992759920.db2.gz	YSYBPCCYYREXPE-UHFFFAOYSA-N	1	0	351.491	1.999	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCC1N=NC(=S)N1C1CC1	ZINC000876649065	992770016	/nfs/dbraw/zinc/77/00/16/992770016.db2.gz	LAZYMRATBPXLTO-OAHLLOKOSA-N	1	0	354.439	1.277	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCOCC1	ZINC000876709962	992814651	/nfs/dbraw/zinc/81/46/51/992814651.db2.gz	CCEDMUHUCJNUAC-SJORKVTESA-N	1	0	367.877	1.655	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1	ZINC000876716641	992825800	/nfs/dbraw/zinc/82/58/00/992825800.db2.gz	IUOSGQCKMCRASU-OAHLLOKOSA-N	1	0	366.849	1.366	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N(C)C1CC[NH+](CCc2ccncc2)CC1	ZINC000374748522	992935002	/nfs/dbraw/zinc/93/50/02/992935002.db2.gz	IAMGGDLGGDDTQY-MRXNPFEDSA-N	1	0	373.501	1.421	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1	ZINC000876905923	992961722	/nfs/dbraw/zinc/96/17/22/992961722.db2.gz	MMSCMNOWSPCAOO-KGLIPLIRSA-N	1	0	363.824	1.985	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)s1	ZINC000876952591	992980259	/nfs/dbraw/zinc/98/02/59/992980259.db2.gz	UNOBOUZIHVTUFW-NWDGAFQWSA-N	1	0	357.501	1.093	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[C@@H](CN2CCCC2=O)C1	ZINC000876974772	992991909	/nfs/dbraw/zinc/99/19/09/992991909.db2.gz	SFQKKBXHBQUUHL-KXBFYZLASA-N	1	0	352.438	1.216	20	30		FDEDRO
CN1CCN(C(=O)NCC2CC[NH+](CCc3ccccc3)CC2)C[C@H]1C#N	ZINC000375225153	993032383	/nfs/dbraw/zinc/03/23/83/993032383.db2.gz	DKXREPCZTYMRDY-HXUWFJFHSA-N	1	0	369.513	1.790	20	30		FDEDRO
N#CCOc1ccc(CN2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)cc1	ZINC001137116707	993083106	/nfs/dbraw/zinc/08/31/06/993083106.db2.gz	NXDSALDZPKWXAP-HKUYNNGSSA-N	1	0	365.437	1.716	20	30		FDEDRO
COc1cccc(C[C@@H]([NH3+])C(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1	ZINC000877249313	993147856	/nfs/dbraw/zinc/14/78/56/993147856.db2.gz	JABJWJVZHUFFBQ-HXUWFJFHSA-N	1	0	364.449	1.785	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)[C@]3(c4ccccc4)CC[NH2+]C3)CC2)cn1	ZINC000877297099	993193041	/nfs/dbraw/zinc/19/30/41/993193041.db2.gz	OAPSNUARTUTXRK-OAQYLSRUSA-N	1	0	361.449	1.533	20	30		FDEDRO
COC(=O)CC[C@H]1CCCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000877381081	993263186	/nfs/dbraw/zinc/26/31/86/993263186.db2.gz	ZXVZRSUWRPXFRL-KUHUBIRLSA-N	1	0	355.438	1.937	20	30		FDEDRO
C[NH+]1CCC(C[NH2+][C@@H](C(=O)[O-])c2cccc(C#N)c2)(N2CCOCC2)CC1	ZINC001598583798	993354943	/nfs/dbraw/zinc/35/49/43/993354943.db2.gz	IRFZFPVLDSGYIL-GOSISDBHSA-N	1	0	372.469	1.070	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(F)(F)C(F)F	ZINC001095556513	993446571	/nfs/dbraw/zinc/44/65/71/993446571.db2.gz	VXTNGCIATVRSNN-RFGFWPKPSA-N	1	0	361.383	1.706	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(F)cn1	ZINC001095556518	993446851	/nfs/dbraw/zinc/44/68/51/993446851.db2.gz	WDXTWABVMJCVIQ-XWSJACJDSA-N	1	0	356.445	1.540	20	30		FDEDRO
COCC(=O)NC1CC[NH+](CC[C@](C#N)(C(C)=O)c2ccccc2)CC1	ZINC000877962775	993575739	/nfs/dbraw/zinc/57/57/39/993575739.db2.gz	WMTRPIPBVXSYDK-FQEVSTJZSA-N	1	0	357.454	1.654	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)nc1	ZINC000965050378	1015804834	/nfs/dbraw/zinc/80/48/34/1015804834.db2.gz	UIRAADMLIKKJGD-BPQIPLTHSA-N	1	0	368.481	1.514	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC[C@@H](C(N)=O)C1	ZINC000469200759	993791052	/nfs/dbraw/zinc/79/10/52/993791052.db2.gz	SOKBQIGHZGJEPP-MSOLQXFVSA-N	1	0	356.470	1.740	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1nnc(-c3ccco3)n1)C2	ZINC001095664951	993934434	/nfs/dbraw/zinc/93/44/34/993934434.db2.gz	PNXGJIPLNZVOHH-ILXRZTDVSA-N	1	0	356.430	1.621	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1	ZINC000470812175	994133183	/nfs/dbraw/zinc/13/31/83/994133183.db2.gz	QBRWXNUXHPJEOC-HOTGVXAUSA-N	1	0	362.453	1.083	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1	ZINC000826071933	994163285	/nfs/dbraw/zinc/16/32/85/994163285.db2.gz	KWRLLYNSHDLNMU-YJBOKZPZSA-N	1	0	357.454	1.830	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(n3cnnn3)CCCCC1)C2	ZINC001110887497	994510626	/nfs/dbraw/zinc/51/06/26/994510626.db2.gz	MRHHISJKXGGKJL-ZACQAIPSSA-N	1	0	374.489	1.257	20	30		FDEDRO
C[NH+](C)C[C@H]1NC(=O)N(C2CCC(Oc3ccc(C#N)cn3)CC2)C1=O	ZINC000924822117	995032112	/nfs/dbraw/zinc/03/21/12/995032112.db2.gz	SIGBFZUOLOUHEM-YMAMQOFZSA-N	1	0	357.414	1.125	20	30		FDEDRO
N#Cc1ccc(N2CC[NH+](CCc3ccc(S(N)(=O)=O)cc3)CC2)cc1	ZINC000879586822	995051804	/nfs/dbraw/zinc/05/18/04/995051804.db2.gz	WBEHJCBCHCELJC-UHFFFAOYSA-N	1	0	370.478	1.570	20	30		FDEDRO
C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CCS(C)(=O)=O	ZINC000924852580	995062929	/nfs/dbraw/zinc/06/29/29/995062929.db2.gz	VWZNQHQPHKCABA-CQSZACIVSA-N	1	0	373.519	1.940	20	30		FDEDRO
COC(=O)CC1CC(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000924914013	995127252	/nfs/dbraw/zinc/12/72/52/995127252.db2.gz	PRLNGBLOESXZSD-UHFFFAOYSA-N	1	0	372.469	1.973	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCC2(C)CCN(c3cncc(C#N)n3)CC2)CC[N@@H+]1C	ZINC001110898217	995231583	/nfs/dbraw/zinc/23/15/83/995231583.db2.gz	VNBKBCOAMDRNRF-GDBMZVCRSA-N	1	0	356.474	1.411	20	30		FDEDRO
CC(C)CC(=O)N1CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000879756672	995253540	/nfs/dbraw/zinc/25/35/40/995253540.db2.gz	AJDHVBFBPRYAHH-SFHVURJKSA-N	1	0	359.470	1.878	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCS(=O)(=O)CCOC	ZINC001110898937	995290751	/nfs/dbraw/zinc/29/07/51/995290751.db2.gz	YUJYERBCZYIUJY-OAGGEKHMSA-N	1	0	372.531	1.371	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[NH+]2CCC(CO)(CO)CC2)cc1Cl	ZINC000879969764	995485053	/nfs/dbraw/zinc/48/50/53/995485053.db2.gz	CTRQINQANITKKG-UHFFFAOYSA-N	1	0	351.834	1.607	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1	ZINC000880138441	995674964	/nfs/dbraw/zinc/67/49/64/995674964.db2.gz	WSHPTRNBWFOFSL-BHYGNILZSA-N	1	0	365.437	1.680	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H](C)C2CCN(S(C)(=O)=O)CC2)cc1C#N	ZINC000925596014	995683935	/nfs/dbraw/zinc/68/39/35/995683935.db2.gz	UGBPLPJQVJGJKE-ZDUSSCGKSA-N	1	0	351.472	1.717	20	30		FDEDRO
C=CCN1CC[C@H]([NH+]2CCC(Cc3ncc(C(=O)OC)s3)CC2)C1=O	ZINC000880272937	995776062	/nfs/dbraw/zinc/77/60/62/995776062.db2.gz	AIXIFXYIDVZCMJ-AWEZNQCLSA-N	1	0	363.483	1.971	20	30		FDEDRO
C=CCN1CC[C@@H]([NH+]2CCC(Cc3ncc(C(=O)OC)s3)CC2)C1=O	ZINC000880272938	995776517	/nfs/dbraw/zinc/77/65/17/995776517.db2.gz	AIXIFXYIDVZCMJ-CQSZACIVSA-N	1	0	363.483	1.971	20	30		FDEDRO
COC(=O)C1(C#N)CCN(C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)CC1	ZINC000925916874	995824750	/nfs/dbraw/zinc/82/47/50/995824750.db2.gz	RRJFOQSTRYNCCG-MRXNPFEDSA-N	1	0	373.457	1.563	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(CC[NH2+]C)C(C)C)cc1	ZINC000925946813	995849060	/nfs/dbraw/zinc/84/90/60/995849060.db2.gz	OLNPVMHDZYNPJS-UHFFFAOYSA-N	1	0	368.503	1.955	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1	ZINC000925959085	995856501	/nfs/dbraw/zinc/85/65/01/995856501.db2.gz	ARKNCNVSYJIAHZ-QGZVFWFLSA-N	1	0	372.469	1.964	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)Cc1ccccc1CC#N)C2	ZINC000926163644	995951082	/nfs/dbraw/zinc/95/10/82/995951082.db2.gz	CPUVEUCIOWFXSD-RMVXJAJNSA-N	1	0	355.482	1.891	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1	ZINC000926171596	995956331	/nfs/dbraw/zinc/95/63/31/995956331.db2.gz	YSJZUSKLBBAIQC-ANTGDGSKSA-N	1	0	356.466	1.908	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)N3C[C@@H](c4cnn(C)c4)[C@H]([NH3+])C3)cc21	ZINC000926215226	995979163	/nfs/dbraw/zinc/97/91/63/995979163.db2.gz	ASIGSIHKEOGGPN-DLBZAZTESA-N	1	0	365.441	1.914	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[C@@]3(C[N@@H+](CC)[C@@H]3C(C)C)C[C@H]2O)nn1	ZINC000926233950	995981872	/nfs/dbraw/zinc/98/18/72/995981872.db2.gz	FDRHUFBHINRDHJ-MYZZLAAOSA-N	1	0	361.490	1.454	20	30		FDEDRO
CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3cc(C)c(C#N)cn3)C2)[C@@H]1C(C)C	ZINC000926236445	995984605	/nfs/dbraw/zinc/98/46/05/995984605.db2.gz	OLRZJSPRQMIOQQ-XSYGEPLQSA-N	1	0	356.470	1.861	20	30		FDEDRO
COC[C@@H](CO)[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1	ZINC000926337135	996068247	/nfs/dbraw/zinc/06/82/47/996068247.db2.gz	JEDZCIVAFOEBLP-LSDHHAIUSA-N	1	0	355.479	1.903	20	30		FDEDRO
C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1COC[C@H]1O	ZINC000926535304	996202553	/nfs/dbraw/zinc/20/25/53/996202553.db2.gz	QJIDVHBFDDAVEC-RRFJBIMHSA-N	1	0	353.463	1.655	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCO2	ZINC000965392988	1016033594	/nfs/dbraw/zinc/03/35/94/1016033594.db2.gz	QLRFYZHUZDPZPR-MDZRGWNJSA-N	1	0	363.502	1.369	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)CC1	ZINC000927130666	996466215	/nfs/dbraw/zinc/46/62/15/996466215.db2.gz	FQHHQOUBXLAETL-NVXWUHKLSA-N	1	0	363.502	1.951	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CC(=O)N1CCC1)C2	ZINC000965424024	1016059829	/nfs/dbraw/zinc/05/98/29/1016059829.db2.gz	FZAVRVSETZESEQ-WJPLLRQDSA-N	1	0	361.486	1.217	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)cc1C#N	ZINC000887041878	996864508	/nfs/dbraw/zinc/86/45/08/996864508.db2.gz	HZZJYCYMJDJKAC-IBGZPJMESA-N	1	0	356.426	1.498	20	30		FDEDRO
N#CCCOCC[N@H+]1C[C@@H]2CC[C@H]1[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12	ZINC000887112288	996941017	/nfs/dbraw/zinc/94/10/17/996941017.db2.gz	PVVXPJUDYDEQSD-CADBVGFASA-N	1	0	367.449	1.812	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)CCOCC1	ZINC000887123394	996954508	/nfs/dbraw/zinc/95/45/08/996954508.db2.gz	NFHNSBUMQHFZKN-UHFFFAOYSA-N	1	0	355.394	1.013	20	30		FDEDRO
C#CCC1([NH2+]Cc2nnc3n2c2ccccc2c(=O)n3C)CCOCC1	ZINC000887126041	996956265	/nfs/dbraw/zinc/95/62/65/996956265.db2.gz	UADSEPYEDPDAAC-UHFFFAOYSA-N	1	0	351.410	1.243	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc([C@@H]2CCCC(=O)N2)c1	ZINC000890300788	997172442	/nfs/dbraw/zinc/17/24/42/997172442.db2.gz	YRNVBJNORBISJF-KRWDZBQOSA-N	1	0	370.453	1.038	20	30		FDEDRO
N#Cc1ncc(C(F)(F)F)cc1-n1cc(CC2(O)CC[NH2+]CC2)nn1	ZINC000887411524	997245025	/nfs/dbraw/zinc/24/50/25/997245025.db2.gz	TVSHVPDLAVQJFU-UHFFFAOYSA-N	1	0	352.320	1.210	20	30		FDEDRO
CN(C)[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)c1cccc(F)c1	ZINC000264072224	997395312	/nfs/dbraw/zinc/39/53/12/997395312.db2.gz	GMFZTEGEPKTPGY-KRWDZBQOSA-N	1	0	371.464	1.355	20	30		FDEDRO
COc1cc(C[NH2+]CCCCC#N)ccc1OCC(=O)N1CCOCC1	ZINC000264096129	997401794	/nfs/dbraw/zinc/40/17/94/997401794.db2.gz	XRATTXNWFGXXBY-UHFFFAOYSA-N	1	0	361.442	1.716	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCC(=O)NCCc2ccccc2)CC1	ZINC000264364593	997480987	/nfs/dbraw/zinc/48/09/87/997480987.db2.gz	HJWWXMCUHHXTOR-UHFFFAOYSA-N	1	0	358.486	1.685	20	30		FDEDRO
C[NH+](C)CCCCCCCNC(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC000264704202	997575477	/nfs/dbraw/zinc/57/54/77/997575477.db2.gz	AZIFIIBYCYDINO-MSUUIHNZSA-N	1	0	365.478	1.324	20	30		FDEDRO
Cn1cnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(C#N)c(F)c2)n1	ZINC001095384627	998021233	/nfs/dbraw/zinc/02/12/33/998021233.db2.gz	JSRGUABRFSASEQ-KBMXLJTQSA-N	1	0	354.389	1.361	20	30		FDEDRO
Cc1c(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)cnn1CCC#N	ZINC000889188280	998196530	/nfs/dbraw/zinc/19/65/30/998196530.db2.gz	CJPAKOVTSZURPX-UHFFFAOYSA-N	1	0	351.454	1.934	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(CC#N)n1)c1ccccc1	ZINC000889759571	998611355	/nfs/dbraw/zinc/61/13/55/998611355.db2.gz	MNNFPWMQAKBVGH-INIZCTEOSA-N	1	0	351.410	1.505	20	30		FDEDRO
CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000889761350	998613718	/nfs/dbraw/zinc/61/37/18/998613718.db2.gz	FPMUNJDVBCYOCI-MSOLQXFVSA-N	1	0	357.454	1.773	20	30		FDEDRO
C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2cccc(CC#N)n2)C1	ZINC000889866541	998712776	/nfs/dbraw/zinc/71/27/76/998712776.db2.gz	IMBLPGCBSBPLNQ-HUUCEWRRSA-N	1	0	371.485	1.959	20	30		FDEDRO
C=CCOCCNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000890077171	998806060	/nfs/dbraw/zinc/80/60/60/998806060.db2.gz	NOQXOHJKKTUXPP-GOSISDBHSA-N	1	0	372.469	1.228	20	30		FDEDRO
C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000890134805	998834097	/nfs/dbraw/zinc/83/40/97/998834097.db2.gz	SXHRJRRKJBVYMB-QZTJIDSGSA-N	1	0	350.507	1.533	20	30		FDEDRO
C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000890153097	998847800	/nfs/dbraw/zinc/84/78/00/998847800.db2.gz	YFIBZCZCYNMFIF-MAUKXSAKSA-N	1	0	369.469	1.670	20	30		FDEDRO
C#CCN(CC#C)C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000890164984	998856278	/nfs/dbraw/zinc/85/62/78/998856278.db2.gz	MNKBARBWHVHELW-IBGZPJMESA-N	1	0	364.449	1.005	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3ccc(C4CC4)c(C#N)c3)CC[C@H]21	ZINC000890429190	998939300	/nfs/dbraw/zinc/93/93/00/998939300.db2.gz	CYGHNXALDVTGNF-KBXCAEBGSA-N	1	0	352.438	1.927	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)COC1CN(C(=O)OC(C)(C)C)C1	ZINC000777310721	999002646	/nfs/dbraw/zinc/00/26/46/999002646.db2.gz	MRZZEHJAJDZERH-CQSZACIVSA-N	1	0	352.431	1.263	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNc3cc(C)ncc3C#N)C2)CC[N@@H+]1C	ZINC001066687612	999021176	/nfs/dbraw/zinc/02/11/76/999021176.db2.gz	NDKIFSYBWXAZTP-ZIFCJYIRSA-N	1	0	371.485	1.053	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N(CC)CC	ZINC001110863330	999072197	/nfs/dbraw/zinc/07/21/97/999072197.db2.gz	DUWASMDHGGUXTI-PDOICOKGSA-N	1	0	365.518	1.805	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000266516184	999178053	/nfs/dbraw/zinc/17/80/53/999178053.db2.gz	GXMYEKUVARDESE-HOCLYGCPSA-N	1	0	359.401	1.519	20	30		FDEDRO
C#CCN(CC)C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC	ZINC000266533632	999182697	/nfs/dbraw/zinc/18/26/97/999182697.db2.gz	KJNJYCKFJXXGFM-UHFFFAOYSA-N	1	0	372.469	1.257	20	30		FDEDRO
C=C(C)COc1cccc(NC(=O)C(=O)NCC[N@@H+](C)CCCOC)c1	ZINC000266589482	999195277	/nfs/dbraw/zinc/19/52/77/999195277.db2.gz	CASHVLJZPPPJDN-UHFFFAOYSA-N	1	0	363.458	1.665	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1	ZINC000266653245	999209846	/nfs/dbraw/zinc/20/98/46/999209846.db2.gz	NKUIZZMHTRIZNV-MRXNPFEDSA-N	1	0	358.442	1.263	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000267495248	999349386	/nfs/dbraw/zinc/34/93/86/999349386.db2.gz	XLXUBFPKJGASAV-RTBURBONSA-N	1	0	370.497	1.976	20	30		FDEDRO
CC[NH+](CC)CCN(CCOC)C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000268049214	999419886	/nfs/dbraw/zinc/41/98/86/999419886.db2.gz	ZJZUZSJFZBZZSK-UHFFFAOYSA-N	1	0	360.458	1.105	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(C(=O)C#Cc3ccc4c(c3)OCO4)CC2)c1	ZINC000268469769	999440599	/nfs/dbraw/zinc/44/05/99/999440599.db2.gz	FYFXHJUTIFZOEU-UHFFFAOYSA-N	1	0	365.389	1.519	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1	ZINC000269011173	999462296	/nfs/dbraw/zinc/46/22/96/999462296.db2.gz	MSVWJKGGZVBLEO-MAUKXSAKSA-N	1	0	355.438	1.580	20	30		FDEDRO
NC(=NOCCCN1C(=O)CNC1=O)c1ccccc1C[NH+]1CCCCC1	ZINC000269159024	999464207	/nfs/dbraw/zinc/46/42/07/999464207.db2.gz	TYNPBDQKJXEYBP-UHFFFAOYSA-N	1	0	373.457	1.251	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)nn1CCC#N	ZINC000271041297	999651946	/nfs/dbraw/zinc/65/19/46/999651946.db2.gz	RSMHPPDWFUWLAM-UHFFFAOYSA-N	1	0	374.489	1.815	20	30		FDEDRO
CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1)[NH+](C)C	ZINC000271086604	999659027	/nfs/dbraw/zinc/65/90/27/999659027.db2.gz	SUHOOHFWYDENRZ-OAHLLOKOSA-N	1	0	362.478	1.526	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCC(c3ncc[nH]3)CC2)CC1	ZINC000271183223	999671998	/nfs/dbraw/zinc/67/19/98/999671998.db2.gz	IHPJLWWUQCQFGP-KRWDZBQOSA-N	1	0	358.490	1.281	20	30		FDEDRO
CC[N@H+](CCO)CCNC(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000274422422	999738970	/nfs/dbraw/zinc/73/89/70/999738970.db2.gz	ONWOOLNGNMDDFD-UHFFFAOYSA-N	1	0	352.438	1.917	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(F)c1	ZINC000283173019	999742605	/nfs/dbraw/zinc/74/26/05/999742605.db2.gz	FYHYQXAVQHAQSW-BBRMVZONSA-N	1	0	361.392	1.827	20	30		FDEDRO
C=CCc1cc(C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)cc(OC)c1OC	ZINC000283997044	999766339	/nfs/dbraw/zinc/76/63/39/999766339.db2.gz	IDDWIPDOEZSGFJ-SJORKVTESA-N	1	0	360.454	1.977	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NC1CC[NH+](C2CC2)CC1	ZINC000284103948	999776624	/nfs/dbraw/zinc/77/66/24/999776624.db2.gz	ULVXJOOEIJRXCI-UHFFFAOYSA-N	1	0	371.481	1.953	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)CCc2ccc(OC)cc2)CC1	ZINC000284403486	999825576	/nfs/dbraw/zinc/82/55/76/999825576.db2.gz	XBNSNVBZHFEULN-INIZCTEOSA-N	1	0	373.497	1.899	20	30		FDEDRO
C[C@]1(O)CCOC[C@H]1[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1	ZINC000284891154	999879008	/nfs/dbraw/zinc/87/90/08/999879008.db2.gz	SMWQHASTAKLJSZ-NSHGMRRFSA-N	1	0	357.454	1.426	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC[N@H+](CC)C1CC1	ZINC000285912288	999925026	/nfs/dbraw/zinc/92/50/26/999925026.db2.gz	IGLLMVPWRRWULV-UHFFFAOYSA-N	1	0	356.470	1.897	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCC(=O)Nc2ccccc2)CC1	ZINC000286505646	999944802	/nfs/dbraw/zinc/94/48/02/999944802.db2.gz	KRPZDNFWSDQZSD-UHFFFAOYSA-N	1	0	372.469	1.288	20	30		FDEDRO
C=CCC[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](CCOC)C1)c1ccccc1	ZINC000286629276	999945579	/nfs/dbraw/zinc/94/55/79/999945579.db2.gz	PUOPCNWAKBWQPN-ROUUACIJSA-N	1	0	359.470	1.647	20	30		FDEDRO
CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(=O)NCCCCC#N	ZINC000286691340	999946335	/nfs/dbraw/zinc/94/63/35/999946335.db2.gz	JJPNHLKJVLMGSO-UHFFFAOYSA-N	1	0	371.485	1.957	20	30		FDEDRO
C=CCOc1ccc(CNC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1	ZINC000286692281	999946342	/nfs/dbraw/zinc/94/63/42/999946342.db2.gz	NJHBIEWLQHLSSG-QGZVFWFLSA-N	1	0	360.502	1.934	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC(c3ccnn3CC)CC2)CC1	ZINC000286742632	999948321	/nfs/dbraw/zinc/94/83/21/999948321.db2.gz	SEGITYVMPRATEH-UHFFFAOYSA-N	1	0	373.501	1.376	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)C(=O)NCCCCC#N)CC[N@@H+]1Cc1ccccc1	ZINC000286751062	999948819	/nfs/dbraw/zinc/94/88/19/999948819.db2.gz	ROLFYXRCMUREMB-SJLPKXTDSA-N	1	0	356.470	1.966	20	30		FDEDRO
C#CCNc1nc(NC[C@H](C)C[C@H](C)O)[nH+]c(NC[C@H](C)C[C@H](C)O)n1	ZINC000287484811	999958001	/nfs/dbraw/zinc/95/80/01/999958001.db2.gz	XRKRBYMOCSSBLO-KBXIAJHMSA-N	1	0	364.494	1.555	20	30		FDEDRO
C[C@@H](C[NH+](C)C)NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000288131331	999989312	/nfs/dbraw/zinc/98/93/12/999989312.db2.gz	XKUODHABQAOCSN-AWEZNQCLSA-N	1	0	369.473	1.508	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C	ZINC000288224551	999998360	/nfs/dbraw/zinc/99/83/60/999998360.db2.gz	REPVZKSVAQXUEF-WMLDXEAASA-N	1	0	373.428	1.861	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000288362731	1000011073	/nfs/dbraw/zinc/01/10/73/1000011073.db2.gz	JKWFUTIGFIKWPJ-FUHWJXTLSA-N	1	0	359.470	1.332	20	30		FDEDRO
COc1ccncc1CO[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1	ZINC000288598662	1000030759	/nfs/dbraw/zinc/03/07/59/1000030759.db2.gz	MMISMFPSTGTMPW-UHFFFAOYSA-N	1	0	356.426	1.888	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000288829959	1000050900	/nfs/dbraw/zinc/05/09/00/1000050900.db2.gz	HBGQKZHUOQMEJZ-IBGZPJMESA-N	1	0	373.497	1.818	20	30		FDEDRO
C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC000288887410	1000056242	/nfs/dbraw/zinc/05/62/42/1000056242.db2.gz	GJZSULPVCPNADY-GOEBONIOSA-N	1	0	356.426	1.613	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1	ZINC000288917201	1000059064	/nfs/dbraw/zinc/05/90/64/1000059064.db2.gz	USRQXWQBJHODHS-FQEVSTJZSA-N	1	0	372.444	1.709	20	30		FDEDRO
CCC[C@]1(CO)CCN(CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1	ZINC000288923572	1000059829	/nfs/dbraw/zinc/05/98/29/1000059829.db2.gz	VHZIOJYTGUJZGY-QRWLVFNGSA-N	1	0	368.437	1.996	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C	ZINC000289147463	1000077469	/nfs/dbraw/zinc/07/74/69/1000077469.db2.gz	MSBXVCJXNQCLTE-KXBFYZLASA-N	1	0	366.465	1.672	20	30		FDEDRO
C[NH+](C)CCNC(=O)C1CCN(C(=O)Nc2ccc(C#N)c(F)c2)CC1	ZINC000289840098	1000121353	/nfs/dbraw/zinc/12/13/53/1000121353.db2.gz	PWAMSENKSLHEOZ-UHFFFAOYSA-N	1	0	361.421	1.619	20	30		FDEDRO
C=CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C	ZINC000290329613	1000132913	/nfs/dbraw/zinc/13/29/13/1000132913.db2.gz	IUQXUKXWOJRXIP-HZPDHXFCSA-N	1	0	360.506	1.867	20	30		FDEDRO
CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000291907952	1000199635	/nfs/dbraw/zinc/19/96/35/1000199635.db2.gz	MYBDLSTWOPNTOV-CVEARBPZSA-N	1	0	373.505	1.689	20	30		FDEDRO
C[C@@H]1CN(c2cccc(F)c2)CCN1CC(=O)N(CCC#N)CCC#N	ZINC000292092371	1000208505	/nfs/dbraw/zinc/20/85/05/1000208505.db2.gz	FLVJVJBJTKKGMS-MRXNPFEDSA-N	1	0	357.433	1.992	20	30		FDEDRO
C[C@H]1C[C@@H](O)CC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000292472481	1000238151	/nfs/dbraw/zinc/23/81/51/1000238151.db2.gz	RLEMARPPERFHIY-ZYSHUDEJSA-N	1	0	374.460	1.380	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCOC[C@@H]([NH2+]CCNc2ccc(C#N)cn2)C1	ZINC000927167955	1000664606	/nfs/dbraw/zinc/66/46/06/1000664606.db2.gz	PCVXQFVLOHIQKB-HNNXBMFYSA-N	1	0	361.446	1.591	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CC[C@H](C)[C@@H](C[NH3+])C3)cc21	ZINC000927803494	1001064100	/nfs/dbraw/zinc/06/41/00/1001064100.db2.gz	PTVXXNBXAHEYDC-ZFWWWQNUSA-N	1	0	355.442	1.604	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)N(C)C	ZINC001110934923	1001208146	/nfs/dbraw/zinc/20/81/46/1001208146.db2.gz	RIKITIMCYQHWRI-HZMVEIRTSA-N	1	0	371.547	1.592	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2	ZINC000927924880	1001218884	/nfs/dbraw/zinc/21/88/84/1001218884.db2.gz	GISYTOVLWDSQBA-LJQANCHMSA-N	1	0	359.401	1.521	20	30		FDEDRO
C=CCCC[C@H](NC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)C(=O)OC	ZINC000928323365	1001492447	/nfs/dbraw/zinc/49/24/47/1001492447.db2.gz	PGQDIINVNTXZRN-ULQDDVLXSA-N	1	0	362.474	1.470	20	30		FDEDRO
C[N@@H+]1CC[C@H]1CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N	ZINC000928570644	1001577986	/nfs/dbraw/zinc/57/79/86/1001577986.db2.gz	FPQBZGIVCJGBMP-QXGUJMOYSA-N	1	0	362.474	1.594	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CCO[C@H]2CNC(=O)OC(C)(C)C)CC1	ZINC000928649392	1001606898	/nfs/dbraw/zinc/60/68/98/1001606898.db2.gz	JPRZSYBWYMCPLH-CVEARBPZSA-N	1	0	365.474	1.130	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CCO[C@@H]2CNC(=O)OC(C)(C)C)CC1	ZINC000928649394	1001607220	/nfs/dbraw/zinc/60/72/20/1001607220.db2.gz	JPRZSYBWYMCPLH-HZPDHXFCSA-N	1	0	365.474	1.130	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H](NC(=O)COc2ccccc2)C(C)C)CC1	ZINC000928651400	1001608618	/nfs/dbraw/zinc/60/86/18/1001608618.db2.gz	SWMPOVVBGRHKLM-FQEVSTJZSA-N	1	0	371.481	1.420	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CN2c3ccccc3OC(F)(F)C2=O)CC1	ZINC000928650476	1001608788	/nfs/dbraw/zinc/60/87/88/1001608788.db2.gz	CNFIZSRFRGOXEM-UHFFFAOYSA-N	1	0	363.364	1.219	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cc(N3C[C@H](C)O[C@@H](C)C3)ccn2)CC1	ZINC000928653047	1001610485	/nfs/dbraw/zinc/61/04/85/1001610485.db2.gz	WXGIJSPGTCBUTG-HOTGVXAUSA-N	1	0	356.470	1.523	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000928653198	1001610673	/nfs/dbraw/zinc/61/06/73/1001610673.db2.gz	CSIZAKUMPIUGBG-MRXNPFEDSA-N	1	0	354.429	1.737	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC1	ZINC000928654503	1001611276	/nfs/dbraw/zinc/61/12/76/1001611276.db2.gz	FEENUSIHOSHOAO-UHFFFAOYSA-N	1	0	363.439	1.507	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2nnn(-c3cccc4cccnc43)c2C)CC1	ZINC000928655330	1001611312	/nfs/dbraw/zinc/61/13/12/1001611312.db2.gz	PMWGMUPMJWATIM-UHFFFAOYSA-N	1	0	374.448	1.951	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)CC1	ZINC000928657046	1001612535	/nfs/dbraw/zinc/61/25/35/1001612535.db2.gz	NQKFYJSMDFHPRN-HZPDHXFCSA-N	1	0	356.470	1.523	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccc(CSc3nc[nH]n3)cc2)CC1	ZINC000928658448	1001613745	/nfs/dbraw/zinc/61/37/45/1001613745.db2.gz	SMYBCLPDBTZWAE-UHFFFAOYSA-N	1	0	355.467	1.924	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)CC1	ZINC000928659202	1001614747	/nfs/dbraw/zinc/61/47/47/1001614747.db2.gz	HSCYRYFIAVNPBM-UHFFFAOYSA-N	1	0	361.467	1.054	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(OCC)cc3)C2)CC1	ZINC000928660366	1001615959	/nfs/dbraw/zinc/61/59/59/1001615959.db2.gz	AWESGQULFXKJIC-INIZCTEOSA-N	1	0	369.465	1.652	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H](CCSC)NC(=O)c2ccccc2)CC1	ZINC000928660386	1001616017	/nfs/dbraw/zinc/61/60/17/1001616017.db2.gz	BWNJSPMFWJWOOJ-GOSISDBHSA-N	1	0	373.522	1.752	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[NH+]2CCC(C(=O)NCCCOC)CC2)cc1	ZINC000929325298	1001936626	/nfs/dbraw/zinc/93/66/26/1001936626.db2.gz	IHKPDJWWPUZNOI-UHFFFAOYSA-N	1	0	371.481	1.861	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1	ZINC000948205179	1002175595	/nfs/dbraw/zinc/17/55/95/1002175595.db2.gz	JHNKKAYOMXKHCF-CXAGYDPISA-N	1	0	357.458	1.195	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H](CC)SC)C[C@H]2C)CC1	ZINC000948423986	1002324784	/nfs/dbraw/zinc/32/47/84/1002324784.db2.gz	AGLMNBLFEZDRIA-OIISXLGYSA-N	1	0	365.543	1.436	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)n3cccc3)C[C@H]2C)CC1	ZINC000948434116	1002338000	/nfs/dbraw/zinc/33/80/00/1002338000.db2.gz	GVBYWJDIAZZIJO-ZHALLVOQSA-N	1	0	370.497	1.357	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1	ZINC000948454621	1002359629	/nfs/dbraw/zinc/35/96/29/1002359629.db2.gz	WKYPHQKKCZOMRR-SJKOYZFVSA-N	1	0	362.393	1.425	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC000948459412	1002365505	/nfs/dbraw/zinc/36/55/05/1002365505.db2.gz	FSNBGOXRMBQQGZ-XYPHTWIQSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1	ZINC000948639534	1002528397	/nfs/dbraw/zinc/52/83/97/1002528397.db2.gz	XSIMMKJXRZWPIC-OTWHNJEPSA-N	1	0	365.518	1.365	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C2	ZINC001110978053	1002652279	/nfs/dbraw/zinc/65/22/79/1002652279.db2.gz	ORPFOEGEFXFRDA-BDXSIMOUSA-N	1	0	359.474	1.145	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H]1CCc2c1cccc2OC)C1CC[NH+](C)CC1	ZINC000929967271	1002670842	/nfs/dbraw/zinc/67/08/42/1002670842.db2.gz	WNCJYUZJNIYIGE-GOSISDBHSA-N	1	0	369.465	1.355	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCC(C)(C)c1ccc(C)cc1)C1CC[NH+](C)CC1	ZINC000929984851	1002701665	/nfs/dbraw/zinc/70/16/65/1002701665.db2.gz	ZKBOONOYFUFWMK-UHFFFAOYSA-N	1	0	369.509	1.945	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](CC)C(=O)OC(C)(C)C)CC1	ZINC000930007210	1002730233	/nfs/dbraw/zinc/73/02/33/1002730233.db2.gz	LLNIHLJXOJWVHV-AWEZNQCLSA-N	1	0	367.490	1.237	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(CNC(=O)[C@@H]3C[C@H]3CC)CC2)CC1	ZINC000949052668	1002959487	/nfs/dbraw/zinc/95/94/87/1002959487.db2.gz	SDFDTPFLQLVZPC-IEBWSBKVSA-N	1	0	359.514	1.733	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C)C1CC[NH+](C)CC1	ZINC000930257964	1002974949	/nfs/dbraw/zinc/97/49/49/1002974949.db2.gz	RCYQGLQCVWXVAW-UHFFFAOYSA-N	1	0	372.425	1.075	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Nc1ccc(CCS(C)(=O)=O)cc1	ZINC000930492080	1003202528	/nfs/dbraw/zinc/20/25/28/1003202528.db2.gz	CQQMIEISOCCGDX-UHFFFAOYSA-N	1	0	351.472	1.350	20	30		FDEDRO
Cc1cc(NC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)nn1CCC#N	ZINC000930633166	1003347095	/nfs/dbraw/zinc/34/70/95/1003347095.db2.gz	LADXXCPMEKUDCG-MRXNPFEDSA-N	1	0	359.478	1.349	20	30		FDEDRO
C[C@@H]1C[N@@H+](Cc2ccc(CN(C)CC(=O)NCCC#N)cc2)C[C@H](C)O1	ZINC000930857424	1003592461	/nfs/dbraw/zinc/59/24/61/1003592461.db2.gz	CWVBKRGBPSZJPJ-CALCHBBNSA-N	1	0	358.486	1.757	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC1CCC(C)([NH+]2CCCC2)CC1	ZINC000930897287	1003643280	/nfs/dbraw/zinc/64/32/80/1003643280.db2.gz	OTVFNPUJIDRSEZ-HMFCVHIJSA-N	1	0	363.502	1.607	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1	ZINC000930939494	1003683500	/nfs/dbraw/zinc/68/35/00/1003683500.db2.gz	KKCKVVQFFZBXMQ-QGZVFWFLSA-N	1	0	356.470	1.942	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1	ZINC000930957811	1003715216	/nfs/dbraw/zinc/71/52/16/1003715216.db2.gz	GCVAQBVHCMCYOG-SJORKVTESA-N	1	0	358.417	1.447	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCc3nc[nH]c3C23CCOCC3)cc1	ZINC000931102244	1003886655	/nfs/dbraw/zinc/88/66/55/1003886655.db2.gz	RCACIHRLWUFEDA-INIZCTEOSA-N	1	0	368.437	1.585	20	30		FDEDRO
C=CCCCC[NH+]1CCN(CCNS(=O)(=O)c2ccccc2)CC1	ZINC000931125555	1003905453	/nfs/dbraw/zinc/90/54/53/1003905453.db2.gz	HOQSLAUOJFPYKA-UHFFFAOYSA-N	1	0	351.516	1.939	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H](C1CCC1)[C@@H]1CCCO1)C1CC[NH+](C)CC1	ZINC000931129918	1003910681	/nfs/dbraw/zinc/91/06/81/1003910681.db2.gz	ZISOWBQRHMKVFF-ZWKOTPCHSA-N	1	0	361.486	1.006	20	30		FDEDRO
C#CC1(O)CCN(CC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)CC1	ZINC000931145931	1003922844	/nfs/dbraw/zinc/92/28/44/1003922844.db2.gz	WZEKWBSUJGGCKZ-UHFFFAOYSA-N	1	0	369.509	1.489	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Nc1cccc(N2C(=O)NC(C)(C)C2=O)c1	ZINC000931152746	1003927175	/nfs/dbraw/zinc/92/71/75/1003927175.db2.gz	IPFMCSHHTVRQCN-UHFFFAOYSA-N	1	0	357.414	1.208	20	30		FDEDRO
C#CC1(O)CC[NH+](C[C@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)CC1	ZINC000931153427	1003927667	/nfs/dbraw/zinc/92/76/67/1003927667.db2.gz	GQXQAQZOCBUVHX-APWZRJJASA-N	1	0	364.486	1.863	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@@H](N2CCC([N@@H+]3CCCOCC3)CC2)C1=O	ZINC000931287490	1004027861	/nfs/dbraw/zinc/02/78/61/1004027861.db2.gz	YJHSNYPZDUOQTI-QGZVFWFLSA-N	1	0	374.510	1.912	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2cc(COC)cc(C(=O)OC)c2)CC1	ZINC000931523554	1004238839	/nfs/dbraw/zinc/23/88/39/1004238839.db2.gz	GIBBMSJCYCNSID-UHFFFAOYSA-N	1	0	359.426	1.839	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@]3(CC(C(=O)OC)=NO3)C2)cc1	ZINC000931531974	1004244294	/nfs/dbraw/zinc/24/42/94/1004244294.db2.gz	KFHXHPMGDZNYOO-LJQANCHMSA-N	1	0	355.394	1.390	20	30		FDEDRO
C=CCC1(O)CC[NH+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1	ZINC000931750909	1004473164	/nfs/dbraw/zinc/47/31/64/1004473164.db2.gz	RRQBKDVGFXDUMH-HNNXBMFYSA-N	1	0	374.547	1.391	20	30		FDEDRO
COC(=O)[C@H]1CCc2sc(NC(=O)NCC#CC[NH+](C)C)nc2C1	ZINC000931771020	1004483493	/nfs/dbraw/zinc/48/34/93/1004483493.db2.gz	ILUUMDGEOZSKLZ-NSHDSACASA-N	1	0	350.444	1.108	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N[C@H]1CCCN2CCSC[C@@H]12	ZINC000931820256	1004516931	/nfs/dbraw/zinc/51/69/31/1004516931.db2.gz	RKYVNPLXOKPHGO-HOTGVXAUSA-N	1	0	353.532	1.887	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1	ZINC000947072212	1004544417	/nfs/dbraw/zinc/54/44/17/1004544417.db2.gz	BNQOIIBHAWCPIG-BZSNNMDCSA-N	1	0	363.502	1.415	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccc(C#N)cc2OC)CC1	ZINC000931958026	1004641379	/nfs/dbraw/zinc/64/13/79/1004641379.db2.gz	STCXFKAIFKMFGG-UHFFFAOYSA-N	1	0	358.442	1.193	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](C3OCCO3)C2)c(OC)c1	ZINC000932008214	1004699057	/nfs/dbraw/zinc/69/90/57/1004699057.db2.gz	PZBDSZIEIREJDX-SJORKVTESA-N	1	0	363.454	1.858	20	30		FDEDRO
C[C@]1([C@@H]2CCC[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)COC(=O)N1	ZINC000932031432	1004719425	/nfs/dbraw/zinc/71/94/25/1004719425.db2.gz	OUUGXMQMJQLWBE-GPMSIDNRSA-N	1	0	359.426	1.508	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1	ZINC000932451735	1004963596	/nfs/dbraw/zinc/96/35/96/1004963596.db2.gz	ISHJSOUNSXDRQU-UHFFFAOYSA-N	1	0	373.497	1.818	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2	ZINC001111031123	1004966546	/nfs/dbraw/zinc/96/65/46/1004966546.db2.gz	PXBVGQJDYLBTCV-HZMVEIRTSA-N	1	0	364.534	1.377	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1C#N	ZINC000932473534	1004977008	/nfs/dbraw/zinc/97/70/08/1004977008.db2.gz	PLHPILKANVYSPF-GOSISDBHSA-N	1	0	354.454	1.570	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1C#N	ZINC000932474601	1004977501	/nfs/dbraw/zinc/97/75/01/1004977501.db2.gz	YFMCLEPCTVWLEN-HZPDHXFCSA-N	1	0	372.469	1.098	20	30		FDEDRO
COc1ncc(NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cc1C#N	ZINC000932506134	1004990508	/nfs/dbraw/zinc/99/05/08/1004990508.db2.gz	GIHJWNMZTMMWOQ-MRXNPFEDSA-N	1	0	360.462	1.355	20	30		FDEDRO
C[N@@H+]1CC[C@@H]1CNC(=O)Nc1ccc(C#N)cc1I	ZINC000932547658	1005008384	/nfs/dbraw/zinc/00/83/84/1005008384.db2.gz	PJZHUSDHGACHAS-SNVBAGLBSA-N	1	0	370.194	1.988	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[NH+]1CCC2(CCNC(=O)O2)CC1	ZINC000932758596	1005151332	/nfs/dbraw/zinc/15/13/32/1005151332.db2.gz	ZWWAYCIQILSYNY-UHFFFAOYSA-N	1	0	367.405	1.251	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH+]2CCC(CO)(C(F)(F)F)CC2)CCOCC1	ZINC000932829677	1005202208	/nfs/dbraw/zinc/20/22/08/1005202208.db2.gz	HCWXVGVAYQRHHV-ZDUSSCGKSA-N	1	0	350.381	1.695	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)c(C(N)=O)cn1)C2	ZINC001111042838	1005216429	/nfs/dbraw/zinc/21/64/29/1005216429.db2.gz	FKCLDOCUMKZVTE-UNEWFSDZSA-N	1	0	358.442	1.027	20	30		FDEDRO
O=C1NCC[C@H]1[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F	ZINC000932943334	1005260527	/nfs/dbraw/zinc/26/05/27/1005260527.db2.gz	UCWXZZVQDNAWEK-DSYKOEDSSA-N	1	0	352.225	1.978	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1	ZINC000932960260	1005283027	/nfs/dbraw/zinc/28/30/27/1005283027.db2.gz	COYMSCXODJEGHP-NXHRZFHOSA-N	1	0	363.502	1.607	20	30		FDEDRO
N#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3[nH]ccc31)C2	ZINC001111050896	1005504801	/nfs/dbraw/zinc/50/48/01/1005504801.db2.gz	WZBKNBWONPUHOD-JLZZUVOBSA-N	1	0	351.410	1.143	20	30		FDEDRO
C[NH+](C)CCOc1ccc(/C=C/C(=O)NCC2CCN(CC#N)CC2)cc1	ZINC000933486338	1005567819	/nfs/dbraw/zinc/56/78/19/1005567819.db2.gz	YWVJAYRHLQLMHI-VMPITWQZSA-N	1	0	370.497	1.992	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)c(OC)c1	ZINC000933760384	1005631505	/nfs/dbraw/zinc/63/15/05/1005631505.db2.gz	PIHOVAFVEZXRBC-FIKGOQFSSA-N	1	0	374.481	1.751	20	30		FDEDRO
C[N@@H+](Cc1cc(C#N)cs1)C[C@@H](O)Cn1c(=O)onc1-c1ccccc1	ZINC000933779115	1005634548	/nfs/dbraw/zinc/63/45/48/1005634548.db2.gz	XSRYZRKJBOBSFH-OAHLLOKOSA-N	1	0	370.434	1.929	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnnc1)C2	ZINC001111062141	1005640963	/nfs/dbraw/zinc/64/09/63/1005640963.db2.gz	XZAPVSRUKCQTQK-DDBAPUKQSA-N	1	0	371.485	1.625	20	30		FDEDRO
Cc1sc(NC(=O)CN2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c(C#N)c1C	ZINC000934261733	1005724409	/nfs/dbraw/zinc/72/44/09/1005724409.db2.gz	GJBUITSIJIOHSR-HOTGVXAUSA-N	1	0	362.499	1.706	20	30		FDEDRO
C=CCCC[N@@H+](CC)CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O	ZINC000934648106	1005771399	/nfs/dbraw/zinc/77/13/99/1005771399.db2.gz	KWRXXKMACWIDOQ-UHFFFAOYSA-N	1	0	350.463	1.951	20	30		FDEDRO
CN(C)[S@](C)(=O)=NCC1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1	ZINC000934756791	1005793999	/nfs/dbraw/zinc/79/39/99/1005793999.db2.gz	WNHCIIIBKPHSCV-AVRWGWEMSA-N	1	0	364.515	1.878	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(NC(N)=O)CCCCC1)C2	ZINC001111099357	1005927615	/nfs/dbraw/zinc/92/76/15/1005927615.db2.gz	BSLCVHSRSZCUGH-OAGGEKHMSA-N	1	0	364.490	1.282	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2	ZINC001111099427	1005930326	/nfs/dbraw/zinc/93/03/26/1005930326.db2.gz	GMIDPTXILRQOIJ-DDBAPUKQSA-N	1	0	362.518	1.131	20	30		FDEDRO
C=CCN(Cc1ccccc1F)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O	ZINC000637377090	1006001875	/nfs/dbraw/zinc/00/18/75/1006001875.db2.gz	VRDOVMWJHQDIQJ-KRWDZBQOSA-N	1	0	362.449	1.863	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCOCC	ZINC001111107330	1006082830	/nfs/dbraw/zinc/08/28/30/1006082830.db2.gz	QBLODEAPUKHJRD-BDXSIMOUSA-N	1	0	351.491	1.605	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)CC[N@@H+]1C	ZINC000966994843	1017044593	/nfs/dbraw/zinc/04/45/93/1017044593.db2.gz	IZXAAJYWXQSQDX-UNEWFSDZSA-N	1	0	371.485	1.583	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1	ZINC000954264853	1006548784	/nfs/dbraw/zinc/54/87/84/1006548784.db2.gz	SOMJPIUFKXWFDA-JQHSSLGASA-N	1	0	363.502	1.511	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]cc1C1CC1)C2	ZINC001111201952	1006850229	/nfs/dbraw/zinc/85/02/29/1006850229.db2.gz	ZBNVQIABICHCQP-FOZNTRSISA-N	1	0	356.470	1.918	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN(C)S(=O)(=O)CC)C2	ZINC001111210241	1006894417	/nfs/dbraw/zinc/89/44/17/1006894417.db2.gz	YGWQXTSSUWZHKU-JJXSEGSLSA-N	1	0	357.520	1.344	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)CC)C2	ZINC001111230282	1006983123	/nfs/dbraw/zinc/98/31/23/1006983123.db2.gz	KVJMDMSKTAACPF-KURKYZTESA-N	1	0	362.518	1.250	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(N(C)C(=O)[C@@H]3C[C@H]3CC)CC2)CC1	ZINC000954867359	1007066846	/nfs/dbraw/zinc/06/68/46/1007066846.db2.gz	IFRQAYSKPRCSFP-VQIMIIECSA-N	1	0	359.514	1.827	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000954883460	1007077367	/nfs/dbraw/zinc/07/73/67/1007077367.db2.gz	NGPYUJODIXKPFD-SJORKVTESA-N	1	0	354.410	1.208	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)C2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nc1	ZINC000954911915	1007128110	/nfs/dbraw/zinc/12/81/10/1007128110.db2.gz	AWPRIPBEZWFVMK-FUHWJXTLSA-N	1	0	354.454	1.076	20	30		FDEDRO
C=CCC[C@H](CO)[NH2+]Cc1cn(C)nc1CN1C(=O)c2ccccc2C1=O	ZINC000641759540	1007135128	/nfs/dbraw/zinc/13/51/28/1007135128.db2.gz	FYWHFABNRYMNJD-OAHLLOKOSA-N	1	0	368.437	1.633	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccnc4n[nH]nc42)C3)cc1	ZINC001095740006	1007172814	/nfs/dbraw/zinc/17/28/14/1007172814.db2.gz	SUSXUFYRDQFIRA-PVAVHDDUSA-N	1	0	373.420	1.760	20	30		FDEDRO
C[N@H+](CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C#N)c[nH]2)C1)C1CCC1	ZINC001007262954	1007384213	/nfs/dbraw/zinc/38/42/13/1007384213.db2.gz	FFDXQGLDWIFNDJ-YWZLYKJASA-N	1	0	369.469	1.482	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1	ZINC000187672118	1007477565	/nfs/dbraw/zinc/47/75/65/1007477565.db2.gz	WEWNMTHLUMLDBA-UHFFFAOYSA-N	1	0	365.433	1.885	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC000957093878	1007701470	/nfs/dbraw/zinc/70/14/70/1007701470.db2.gz	IULLVPPXARELIW-MLGOLLRUSA-N	1	0	366.425	1.238	20	30		FDEDRO
C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1	ZINC000091282148	1007942287	/nfs/dbraw/zinc/94/22/87/1007942287.db2.gz	UHNJVOFJTUSMIF-AWEZNQCLSA-N	1	0	357.458	1.431	20	30		FDEDRO
Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C	ZINC000795692850	1007979611	/nfs/dbraw/zinc/97/96/11/1007979611.db2.gz	RDJIXVWZKXBGPR-KXBFYZLASA-N	1	0	366.469	1.878	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1	ZINC000956377551	1008063284	/nfs/dbraw/zinc/06/32/84/1008063284.db2.gz	AKHJAKDMQXNQCR-BBWFWOEESA-N	1	0	363.502	1.417	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC2(C)CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC[N@@H+]1C	ZINC000956386832	1008090804	/nfs/dbraw/zinc/09/08/04/1008090804.db2.gz	WVEWZNKELMZCGS-UKRRQHHQSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C(C)(C)[NH+]1CCCC1	ZINC000950235299	1008924492	/nfs/dbraw/zinc/92/44/92/1008924492.db2.gz	NODQAAIPYKYQPA-BBWFWOEESA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2C[C@H]2c2ccco2)CC1	ZINC000950431464	1009166200	/nfs/dbraw/zinc/16/62/00/1009166200.db2.gz	FEAKVIZTHVSAHV-KZNAEPCWSA-N	1	0	369.465	1.445	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccsc2C)C1	ZINC000950648547	1009468869	/nfs/dbraw/zinc/46/88/69/1009468869.db2.gz	QCRPZUDFCFBDAX-XYPHTWIQSA-N	1	0	359.495	1.731	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCC34CC4)C[C@H]2C)CC1	ZINC000950728852	1009563783	/nfs/dbraw/zinc/56/37/83/1009563783.db2.gz	NWCDDPWQOMJRLG-BHIYHBOVSA-N	1	0	371.525	1.875	20	30		FDEDRO
Cc1cc(NC2CC[NH+](CCNC(=O)[C@@H]3C[C@H]3C3CC3)CC2)c(C#N)cn1	ZINC001111323488	1009611533	/nfs/dbraw/zinc/61/15/33/1009611533.db2.gz	FNDRXKJJACZBGS-RBUKOAKNSA-N	1	0	367.497	1.722	20	30		FDEDRO
C[C@H]1CCCN(C(=[NH2+])NCc2cccc(OCCN3CCOCC3)c2)C1	ZINC000303865044	1009643349	/nfs/dbraw/zinc/64/33/49/1009643349.db2.gz	BNOJLGVVUNKLPQ-KRWDZBQOSA-N	1	0	360.502	1.944	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C	ZINC000950797826	1009845252	/nfs/dbraw/zinc/84/52/52/1009845252.db2.gz	JHVAXOKPJFARLB-NVXWUHKLSA-N	1	0	358.486	1.593	20	30		FDEDRO
N#Cc1ccc(NC2CC[NH+](CCNC(=O)C[C@@H]3C[C@H]3C3CC3)CC2)nn1	ZINC001111339925	1010170564	/nfs/dbraw/zinc/17/05/64/1010170564.db2.gz	NDPSNKFKHDIWHB-YJBOKZPZSA-N	1	0	368.485	1.777	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C34CCC(CC3)C4)C[C@H]2C)CC1	ZINC000950981286	1010206578	/nfs/dbraw/zinc/20/65/78/1010206578.db2.gz	PVHXRZPLBBRPEF-JPNCZVRGSA-N	1	0	371.525	1.875	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000950987197	1010222781	/nfs/dbraw/zinc/22/27/81/1010222781.db2.gz	LZDXYYDJBVRPNV-NSISKUIASA-N	1	0	367.493	1.658	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3OCCN(C(=O)[C@@H]4C[C@H]4c4c[nH]cn4)[C@H]3C2)C1	ZINC000960565617	1010388109	/nfs/dbraw/zinc/38/81/09/1010388109.db2.gz	IKFRHAFIQWTGJK-TXCZRRACSA-N	1	0	370.453	1.308	20	30		FDEDRO
CNC(=O)c1cccc(CCNC(=[NH2+])NCc2ccc(OC)c(OC)c2)c1	ZINC000304736987	1010476965	/nfs/dbraw/zinc/47/69/65/1010476965.db2.gz	AJCDDNYFWLXDJJ-UHFFFAOYSA-N	1	0	370.453	1.710	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C(C)(F)F)C[C@H]2C)CC1	ZINC000959672563	1010541285	/nfs/dbraw/zinc/54/12/85/1010541285.db2.gz	HXRWJZPWZXXXLM-IIAWOOMASA-N	1	0	369.456	1.586	20	30		FDEDRO
C#C[C@H](NC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCO1	ZINC000779659956	1010682182	/nfs/dbraw/zinc/68/21/82/1010682182.db2.gz	DPTSBOGWUQEBTL-ZVDOUQERSA-N	1	0	371.481	1.446	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCCN(C(=O)C[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000951577725	1010942226	/nfs/dbraw/zinc/94/22/26/1010942226.db2.gz	BGSYCAPEGFNKFL-UFYCRDLUSA-N	1	0	371.525	1.875	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1	ZINC000952120056	1011262962	/nfs/dbraw/zinc/26/29/62/1011262962.db2.gz	JEGVBEQQUPRUSW-MANSERQUSA-N	1	0	373.497	1.006	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccn(C)c(=O)c1	ZINC000960881593	1011612224	/nfs/dbraw/zinc/61/22/24/1011612224.db2.gz	GQGINSUXGSNFFB-KURKYZTESA-N	1	0	359.470	1.399	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(C(=O)CCc2ncc[nH]2)CC1	ZINC000952483973	1011782209	/nfs/dbraw/zinc/78/22/09/1011782209.db2.gz	FWYUUFHDTVODQJ-CVEARBPZSA-N	1	0	360.458	1.288	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)C[NH+]1CCCC1	ZINC000952805247	1012052874	/nfs/dbraw/zinc/05/28/74/1012052874.db2.gz	KCOWSHRMXPTWGL-XDNAFOTISA-N	1	0	361.486	1.265	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(C2)CCCN(C(=O)C#CC2CC2)C3)CC[N@@H+]1C	ZINC000952914026	1012116342	/nfs/dbraw/zinc/11/63/42/1012116342.db2.gz	DRTSPVDBJXXYLE-NNMXDRDESA-N	1	0	371.525	1.971	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CC[C@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)O1	ZINC000305771506	1012472018	/nfs/dbraw/zinc/47/20/18/1012472018.db2.gz	KNBRQRMGLJFDIS-OLZOCXBDSA-N	1	0	374.363	1.948	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+][C@@H]1CCCNC1=O)C2	ZINC000963815153	1012729573	/nfs/dbraw/zinc/72/95/73/1012729573.db2.gz	DSXVACVCRGWNQB-DMJMGIBUSA-N	1	0	361.486	1.263	20	30		FDEDRO
Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]21	ZINC000961834093	1012908890	/nfs/dbraw/zinc/90/88/90/1012908890.db2.gz	PCSXKFBCBWXTOO-JLOCXQCDSA-N	1	0	367.478	1.703	20	30		FDEDRO
Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)cn1	ZINC000961836877	1012913968	/nfs/dbraw/zinc/91/39/68/1012913968.db2.gz	IYJAYEQHGVRWIN-PXTPFGJHSA-N	1	0	361.449	1.642	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC23CCN(C(=O)C#CC2CC2)CC3)CC[N@@H+]1C	ZINC000963923197	1012963165	/nfs/dbraw/zinc/96/31/65/1012963165.db2.gz	CIRRHXKJPWMORA-RCCFBDPRSA-N	1	0	357.498	1.627	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2CC23CCN(C(=O)c2cc(C#N)c[nH]2)CC3)CC[N@@H+]1C	ZINC000963923443	1012963183	/nfs/dbraw/zinc/96/31/83/1012963183.db2.gz	DBALPJZDVMCWMZ-FRFSOERESA-N	1	0	369.469	1.337	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)cc1	ZINC000796508408	1017178397	/nfs/dbraw/zinc/17/83/97/1017178397.db2.gz	ATLCDHFCQFKRIC-ZBFHGGJFSA-N	1	0	351.472	1.881	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCC[C@@H]2CCc3ccccc3N2)CC1	ZINC000652692404	1017579901	/nfs/dbraw/zinc/57/99/01/1017579901.db2.gz	SYIYZCGAOPTJMT-KRWDZBQOSA-N	1	0	370.497	1.686	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H](N(C)C(=O)c3c[nH]c(C#N)c3)CC2)CC[N@@H+]1C	ZINC000967519348	1017582928	/nfs/dbraw/zinc/58/29/28/1017582928.db2.gz	JQSZLFOKYLPGGF-FHLIZLRMSA-N	1	0	371.485	1.680	20	30		FDEDRO
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000506621553	538901500	/nfs/dbraw/zinc/90/15/00/538901500.db2.gz	SMHCSIOHZCBNSP-HNAYVOBHSA-N	1	0	365.474	1.429	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2ccc(C#N)cc2C)CC1	ZINC000190907489	178031228	/nfs/dbraw/zinc/03/12/28/178031228.db2.gz	MVDDKVFJKSNRGW-OAHLLOKOSA-N	1	0	350.488	1.171	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21	ZINC000190952114	178032900	/nfs/dbraw/zinc/03/29/00/178032900.db2.gz	WAIRJMSNTSFZRL-RDJZCZTQSA-N	1	0	370.453	1.838	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000192344523	178110426	/nfs/dbraw/zinc/11/04/26/178110426.db2.gz	PCQSCHWKOHPERV-ZWKOTPCHSA-N	1	0	369.469	1.443	20	30		FDEDRO
Cc1ccn(CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(=O)c1	ZINC000194378402	178209098	/nfs/dbraw/zinc/20/90/98/178209098.db2.gz	HFRRUHYPBHOYSM-UHFFFAOYSA-N	1	0	364.449	1.763	20	30		FDEDRO
Cc1cnc(COCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)o1	ZINC000508568050	538934627	/nfs/dbraw/zinc/93/46/27/538934627.db2.gz	JDERKIZLKNWDTO-UHFFFAOYSA-N	1	0	356.426	1.962	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)o1	ZINC000237757188	178327958	/nfs/dbraw/zinc/32/79/58/178327958.db2.gz	ZKLDECRPCISLOI-UHFFFAOYSA-N	1	0	351.350	1.802	20	30		FDEDRO
C[C@@H]1C[C@@H](CCNC(=O)Cn2cnc(C#N)n2)C[N@@H+]1Cc1ccccc1	ZINC000510085475	538952753	/nfs/dbraw/zinc/95/27/53/538952753.db2.gz	IIHBXBXGKBKYAC-NVXWUHKLSA-N	1	0	352.442	1.567	20	30		FDEDRO
C[C@@H](OCC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1nccn1C	ZINC000512313125	538971747	/nfs/dbraw/zinc/97/17/47/538971747.db2.gz	IAMNWZVXMPORHU-MRXNPFEDSA-N	1	0	369.469	1.960	20	30		FDEDRO
Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)CCC(N)=O)c1C#N	ZINC000513196093	538989452	/nfs/dbraw/zinc/98/94/52/538989452.db2.gz	MCNNNQXHHWDWOY-UHFFFAOYSA-N	1	0	371.441	1.754	20	30		FDEDRO
C[NH+]1CCN(c2cccc(C(=O)NCC#Cc3cccc(F)c3)n2)CC1	ZINC000513919252	539008499	/nfs/dbraw/zinc/00/84/99/539008499.db2.gz	WIMMJTQUWQOKOW-UHFFFAOYSA-N	1	0	352.413	1.754	20	30		FDEDRO
CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000546865266	542247155	/nfs/dbraw/zinc/24/71/55/542247155.db2.gz	YCXAVBQEILUGBU-KRWDZBQOSA-N	1	0	363.421	1.945	20	30		FDEDRO
N#CCCCS(=O)(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1	ZINC000267935285	674037774	/nfs/dbraw/zinc/03/77/74/674037774.db2.gz	GJQUANPVLKQSRJ-UHFFFAOYSA-N	1	0	369.462	1.892	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000518254712	539403461	/nfs/dbraw/zinc/40/34/61/539403461.db2.gz	HWRNEOHMWXQMBN-HKUYNNGSSA-N	1	0	373.497	1.674	20	30		FDEDRO
CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1	ZINC000263970694	179007207	/nfs/dbraw/zinc/00/72/07/179007207.db2.gz	QBIZADOBYZZPGY-MRXNPFEDSA-N	1	0	364.471	1.291	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC(C(=O)NCC[NH+](C)C)CC1	ZINC000264156599	179037290	/nfs/dbraw/zinc/03/72/90/179037290.db2.gz	VCERXMHQGAHBBL-HNNXBMFYSA-N	1	0	371.485	1.275	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1	ZINC000264276403	179066606	/nfs/dbraw/zinc/06/66/06/179066606.db2.gz	INZDOSDGMOGERS-GOSISDBHSA-N	1	0	370.501	1.905	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)COc3ccc(C#N)cc3OC)C2)CC1	ZINC000264495292	179122079	/nfs/dbraw/zinc/12/20/79/179122079.db2.gz	YZGBETMTWNYHLO-KRWDZBQOSA-N	1	0	372.469	1.184	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@@H](CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1	ZINC000522811230	539582319	/nfs/dbraw/zinc/58/23/19/539582319.db2.gz	BEFZEZMNXXINMU-KRWDZBQOSA-N	1	0	363.483	1.320	20	30		FDEDRO
CC(C)OCCOC[C@H](O)CN(C)[C@H](C)C(=O)Nc1cccc(C#N)c1	ZINC000265443562	179378714	/nfs/dbraw/zinc/37/87/14/179378714.db2.gz	ACEMBSQICHWOEH-CRAIPNDOSA-N	1	0	363.458	1.620	20	30		FDEDRO
CCNS(=O)(=O)c1ccc(C)c(C(=O)NC2(C#N)CC[NH+](C)CC2)c1	ZINC000524638257	539653590	/nfs/dbraw/zinc/65/35/90/539653590.db2.gz	KAICVHBFCAKUSM-UHFFFAOYSA-N	1	0	364.471	1.011	20	30		FDEDRO
N#Cc1cccc(CNC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1	ZINC000524992206	539675794	/nfs/dbraw/zinc/67/57/94/539675794.db2.gz	SXQVGYKPHMGLSP-OAQYLSRUSA-N	1	0	364.449	1.994	20	30		FDEDRO
C[NH+](C)CCCN(C(=O)c1cc(C#N)cs1)[C@H]1CCS(=O)(=O)C1	ZINC000268230530	180030589	/nfs/dbraw/zinc/03/05/89/180030589.db2.gz	SBQFHEFWFUOMLW-ZDUSSCGKSA-N	1	0	355.485	1.201	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[NH+]1CCC2(CC1)OCCCO2	ZINC000528513144	539764536	/nfs/dbraw/zinc/76/45/36/539764536.db2.gz	PVAVHPJNCJLCJM-UHFFFAOYSA-N	1	0	354.406	1.515	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO	ZINC000269290672	180264365	/nfs/dbraw/zinc/26/43/65/180264365.db2.gz	CYTCFNXHJMNIEP-MRXNPFEDSA-N	1	0	361.442	1.299	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000269640572	180348219	/nfs/dbraw/zinc/34/82/19/180348219.db2.gz	XSYOBKIZUITYFI-HNNXBMFYSA-N	1	0	360.458	1.171	20	30		FDEDRO
C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CCc4ccc(C#N)cc43)C2)CC1	ZINC000270202854	180459347	/nfs/dbraw/zinc/45/93/47/180459347.db2.gz	PKKFKLMZBAFDRO-SFHVURJKSA-N	1	0	366.465	1.638	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NC[C@H]3COCC[NH2+]3)CC2)c(Cl)c1	ZINC000529373752	539830137	/nfs/dbraw/zinc/83/01/37/539830137.db2.gz	AKLJBUGLRVUEKI-AWEZNQCLSA-N	1	0	363.849	1.032	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O	ZINC000530232947	539916725	/nfs/dbraw/zinc/91/67/25/539916725.db2.gz	MWNHBYVFKPBWHO-MSOLQXFVSA-N	1	0	369.396	1.832	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CC(=O)N(c2ccccc2)C1	ZINC000530229786	539914602	/nfs/dbraw/zinc/91/46/02/539914602.db2.gz	AEOFZHMSCHUOKR-FUHWJXTLSA-N	1	0	351.406	1.693	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]C1CCN(C(=O)c2ccoc2)CC1	ZINC000530229892	539914777	/nfs/dbraw/zinc/91/47/77/539914777.db2.gz	BEMWKIYWEJIBOI-GOSISDBHSA-N	1	0	369.421	1.785	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCN(c2ncccc2F)C1	ZINC000530230939	539915145	/nfs/dbraw/zinc/91/51/45/539915145.db2.gz	DXCJPMFADNYYJR-JKSUJKDBSA-N	1	0	356.401	1.701	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCCN(CC(F)(F)F)C1=O	ZINC000530231762	539915843	/nfs/dbraw/zinc/91/58/43/539915843.db2.gz	MAUVUYSMISAOOJ-KGLIPLIRSA-N	1	0	371.359	1.441	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@H]1[NH+](C)C	ZINC000274833256	181173356	/nfs/dbraw/zinc/17/33/56/181173356.db2.gz	ZXAGZYMEZHUJTM-CHWSQXEVSA-N	1	0	359.904	1.878	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](C)C2)cc1C#N	ZINC000532531735	540169597	/nfs/dbraw/zinc/16/95/97/540169597.db2.gz	YLXAKGGKOHJMPE-CQSZACIVSA-N	1	0	358.442	1.742	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NC[C@H](O)COc1ccccc1Br	ZINC000268716097	674096327	/nfs/dbraw/zinc/09/63/27/674096327.db2.gz	MNJOXYKYIHLZRR-QWRGUYRKSA-N	1	0	360.252	1.128	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NC[C@@H](O)COc1ccccc1Br	ZINC000268716088	674096404	/nfs/dbraw/zinc/09/64/04/674096404.db2.gz	MNJOXYKYIHLZRR-GHMZBOCLSA-N	1	0	360.252	1.128	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1	ZINC000275099735	181238186	/nfs/dbraw/zinc/23/81/86/181238186.db2.gz	KHLUSPLJIQCEFU-CYBMUJFWSA-N	1	0	371.359	1.946	20	30		FDEDRO
CO[C@H](C)C[N@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C(C)C	ZINC000533293280	540227148	/nfs/dbraw/zinc/22/71/48/540227148.db2.gz	FIOZSPRAGLKKHM-CQSZACIVSA-N	1	0	363.462	1.249	20	30		FDEDRO
CNS(=O)(=O)CCC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000533359827	540237963	/nfs/dbraw/zinc/23/79/63/540237963.db2.gz	PJAHEXRJNAJVKP-UHFFFAOYSA-N	1	0	364.471	1.148	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)NC2CC[NH+](CC3CC3)CC2)c(F)c1	ZINC000481058622	538871906	/nfs/dbraw/zinc/87/19/06/538871906.db2.gz	KYKHGIZKECCPMW-UHFFFAOYSA-N	1	0	351.447	1.991	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCO[C@H](C[NH+](C)C)C3)C2)n1	ZINC000472148598	781936364	/nfs/dbraw/zinc/93/63/64/781936364.db2.gz	AYJRMQCMVSXAIL-ZWKOTPCHSA-N	1	0	371.485	1.267	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1ccc2c(c1)CCC2	ZINC000534835473	540417468	/nfs/dbraw/zinc/41/74/68/540417468.db2.gz	RMUBSMCHDQBIHL-UHFFFAOYSA-N	1	0	352.442	1.855	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)CC1	ZINC000537037939	540676752	/nfs/dbraw/zinc/67/67/52/540676752.db2.gz	JLVFYEHFXVXJOS-FHWLQOOXSA-N	1	0	362.518	1.427	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+][C@H](CN1CCOCC1)c1ccc(C)cc1	ZINC000537040630	540677518	/nfs/dbraw/zinc/67/75/18/540677518.db2.gz	KSOXLCOHSTXIDY-LJQANCHMSA-N	1	0	358.486	1.720	20	30		FDEDRO
COc1ccc([C@@H](CC(=O)NC2(C#N)CC[NH+](C)CC2)NC(C)=O)cc1	ZINC000537904383	540789358	/nfs/dbraw/zinc/78/93/58/540789358.db2.gz	BPHCWWLRWFTJPH-QGZVFWFLSA-N	1	0	358.442	1.367	20	30		FDEDRO
CCCCOC1CC[NH+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1	ZINC000538147204	540816795	/nfs/dbraw/zinc/81/67/95/540816795.db2.gz	SHHFEXDIYAGQQA-IBGZPJMESA-N	1	0	364.534	1.960	20	30		FDEDRO
CS(=O)(=O)Nc1ccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)cc1	ZINC000538328866	540842888	/nfs/dbraw/zinc/84/28/88/540842888.db2.gz	DUMTXUZVBRRSPY-UHFFFAOYSA-N	1	0	355.423	1.867	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(Cl)c(C#N)c1	ZINC000539785415	540992431	/nfs/dbraw/zinc/99/24/31/540992431.db2.gz	IFBUBOAVNGLVCY-MRXNPFEDSA-N	1	0	362.861	1.884	20	30		FDEDRO
C[C@H]1[C@H](C)[N@H+](C)CCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000540053118	541023406	/nfs/dbraw/zinc/02/34/06/541023406.db2.gz	RIHVZDIJFOWHAX-GJZGRUSLSA-N	1	0	352.442	1.707	20	30		FDEDRO
N#Cc1ccc2nc(NCCCC[NH+]3CCN(CCO)CC3)ccc2c1	ZINC000540077913	541025689	/nfs/dbraw/zinc/02/56/89/541025689.db2.gz	CWYTURVMJHEPID-UHFFFAOYSA-N	1	0	353.470	1.908	20	30		FDEDRO
Cc1onc(CC(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c1C#N	ZINC000540927084	541116591	/nfs/dbraw/zinc/11/65/91/541116591.db2.gz	CJWCJRMTSDDRGI-IBGZPJMESA-N	1	0	367.453	1.502	20	30		FDEDRO
C[C@@H](C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)n1cnc(C#N)n1	ZINC000543071018	541529389	/nfs/dbraw/zinc/52/93/89/541529389.db2.gz	QGYVOBUEWUCETH-HNNXBMFYSA-N	1	0	352.442	1.834	20	30		FDEDRO
C=CCN(C[C@@H](O)COCc1ccccc1OC)[C@H]1CCS(=O)(=O)C1	ZINC000269644890	674110991	/nfs/dbraw/zinc/11/09/91/674110991.db2.gz	OYBDLLHDPQJHST-DLBZAZTESA-N	1	0	369.483	1.248	20	30		FDEDRO
CC[NH+](CC)CCOCCNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000543611469	541620447	/nfs/dbraw/zinc/62/04/47/541620447.db2.gz	LODLYQFONKEWLL-UHFFFAOYSA-N	1	0	370.457	1.414	20	30		FDEDRO
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)n1	ZINC000278132074	181915261	/nfs/dbraw/zinc/91/52/61/181915261.db2.gz	DQBUJXKTWGHXOQ-UHFFFAOYSA-N	1	0	372.473	1.439	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1ccncc1	ZINC000283223187	182132637	/nfs/dbraw/zinc/13/26/37/182132637.db2.gz	UYQSRRJQJHWBTJ-UHFFFAOYSA-N	1	0	365.437	1.160	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1ccoc1	ZINC000283495054	182197049	/nfs/dbraw/zinc/19/70/49/182197049.db2.gz	OMLNKBPYDOSWLX-UHFFFAOYSA-N	1	0	354.410	1.358	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1	ZINC000283852215	182293618	/nfs/dbraw/zinc/29/36/18/182293618.db2.gz	FTSKAHRMMHDJKT-QGTPRVQTSA-N	1	0	354.454	1.821	20	30		FDEDRO
CC[NH+]1CCC(CCNC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1	ZINC000284102457	182365817	/nfs/dbraw/zinc/36/58/17/182365817.db2.gz	UBYUNBQILWYCPN-OAHLLOKOSA-N	1	0	356.470	1.974	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCC(n2ccnc2)CC1)c1ccc(C#N)cc1	ZINC000284118380	182370409	/nfs/dbraw/zinc/37/04/09/182370409.db2.gz	VDXVUPOYBGQXEO-CQSZACIVSA-N	1	0	351.410	1.796	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1)c1ccc(C#N)cc1	ZINC000284149447	182379415	/nfs/dbraw/zinc/37/94/15/182379415.db2.gz	XECFIPFWVHFNKW-JKSUJKDBSA-N	1	0	356.470	1.974	20	30		FDEDRO
CC[NH+](CC)CCSCC(=O)N1CCN(c2cccc(C#N)n2)CC1	ZINC000545490785	541985269	/nfs/dbraw/zinc/98/52/69/541985269.db2.gz	QQJWUUKMSBCLML-UHFFFAOYSA-N	1	0	361.515	1.677	20	30		FDEDRO
N#Cc1cccc(N2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)n1	ZINC000545504898	541990342	/nfs/dbraw/zinc/99/03/42/541990342.db2.gz	IIAGILSDAKEYER-UHFFFAOYSA-N	1	0	360.421	1.976	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nc3cc(Cl)ccn3c2C#N)CC1	ZINC000286225038	183018539	/nfs/dbraw/zinc/01/85/39/183018539.db2.gz	NRTFXHYHOZCGTA-AWEZNQCLSA-N	1	0	372.860	1.602	20	30		FDEDRO
C[C@@H]1CN(C[C@@H]2CCCN2S(=O)(=O)c2ccc(C#N)o2)C[C@@H](C)O1	ZINC000286672035	183125433	/nfs/dbraw/zinc/12/54/33/183125433.db2.gz	PNRISBJATMOYML-MCIONIFRSA-N	1	0	353.444	1.414	20	30		FDEDRO
CC(=O)OCCCS(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000286855888	183160737	/nfs/dbraw/zinc/16/07/37/183160737.db2.gz	LGFKQEGYPFJFPB-UHFFFAOYSA-N	1	0	367.471	1.205	20	30		FDEDRO
CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(C)Cc1cccc(C#N)c1	ZINC000287138416	183220973	/nfs/dbraw/zinc/22/09/73/183220973.db2.gz	WPWDTPMCIJFXAC-SFHVURJKSA-N	1	0	356.470	1.897	20	30		FDEDRO
COC(=O)[C@](C)(C[NH2+]C[C@H]1CNc2c(C#N)cnn2C1)c1ccc(F)cc1	ZINC000570570442	549330009	/nfs/dbraw/zinc/33/00/09/549330009.db2.gz	PYBIGZJKHBOOAH-ORAYPTAESA-N	1	0	371.416	1.656	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@@H](C(=O)N4CCCC4)C3)C2=O)cc1	ZINC000287558450	183323600	/nfs/dbraw/zinc/32/36/00/183323600.db2.gz	WTTCXRPEEFBIFX-MJGOQNOKSA-N	1	0	366.465	1.998	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)[nH]1	ZINC000287510210	183311055	/nfs/dbraw/zinc/31/10/55/183311055.db2.gz	UWGSXVFOFZAUJA-LJQANCHMSA-N	1	0	363.465	1.919	20	30		FDEDRO
C[C@H]1C[N@H+](CC(C)(C)O)CCN1c1ncc(Br)cc1C#N	ZINC000294894002	184016971	/nfs/dbraw/zinc/01/69/71/184016971.db2.gz	GMYGJXFJJWARJS-NSHDSACASA-N	1	0	353.264	1.997	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1	ZINC000295094123	184033610	/nfs/dbraw/zinc/03/36/10/184033610.db2.gz	VDBOVISCMKGLHL-OAHLLOKOSA-N	1	0	356.470	1.855	20	30		FDEDRO
C[N@@H+]1CCN(CCNS(=O)(=O)Cc2ccc(F)cc2C#N)CC1(C)C	ZINC000296293600	184150236	/nfs/dbraw/zinc/15/02/36/184150236.db2.gz	ZLYYXZZFHZIKJE-UHFFFAOYSA-N	1	0	368.478	1.143	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H](C)C1=CC[N@H+](C)CC1	ZINC000547312070	542309532	/nfs/dbraw/zinc/30/95/32/542309532.db2.gz	GFLFBEKCPDSVSZ-CQSZACIVSA-N	1	0	365.441	2.219	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C	ZINC000547416838	542336249	/nfs/dbraw/zinc/33/62/49/542336249.db2.gz	PAKFCAXPXUZTHN-OKILXGFUSA-N	1	0	358.442	1.884	20	30		FDEDRO
CC1(C)CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1	ZINC001112511082	781989160	/nfs/dbraw/zinc/98/91/60/781989160.db2.gz	SQEYQYSNOBHEBJ-YRNRMSPPSA-N	1	0	360.502	1.671	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CCC(=O)N1CCc2ccccc2C1	ZINC000548728646	542765059	/nfs/dbraw/zinc/76/50/59/542765059.db2.gz	NCRYCYUTNZFWSU-UHFFFAOYSA-N	1	0	366.469	1.703	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccc(C#N)cc1	ZINC000549173505	542847024	/nfs/dbraw/zinc/84/70/24/542847024.db2.gz	MNUIMMCNZLYESQ-GFCCVEGCSA-N	1	0	358.423	1.495	20	30		FDEDRO
CCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000549346443	542871159	/nfs/dbraw/zinc/87/11/59/542871159.db2.gz	HPIPERZOUSDPRF-QGZVFWFLSA-N	1	0	366.469	1.995	20	30		FDEDRO
CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000550156738	543024181	/nfs/dbraw/zinc/02/41/81/543024181.db2.gz	MNAZBZMMWTZNET-KRWDZBQOSA-N	1	0	354.454	1.828	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1	ZINC000550291940	543059943	/nfs/dbraw/zinc/05/99/43/543059943.db2.gz	LTTQMHOEZPQUNH-MRXNPFEDSA-N	1	0	373.501	1.311	20	30		FDEDRO
CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCC(C#N)CC1)c1ccccc1	ZINC000550392873	543089698	/nfs/dbraw/zinc/08/96/98/543089698.db2.gz	FRLJDEFWVQCHDN-GOSISDBHSA-N	1	0	356.470	1.948	20	30		FDEDRO
C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cn1)c1ccc(F)cc1	ZINC000551293180	543267045	/nfs/dbraw/zinc/26/70/45/543267045.db2.gz	JZETZLAFIROTDQ-OAHLLOKOSA-N	1	0	355.373	1.450	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)[C@H]1CCCOC1	ZINC000551980503	543396081	/nfs/dbraw/zinc/39/60/81/543396081.db2.gz	ASXOQDVHGUANCT-RBUKOAKNSA-N	1	0	374.460	1.645	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNC(=O)Cc2c(F)cccc2C#N)ccn1	ZINC000552136686	543423823	/nfs/dbraw/zinc/42/38/23/543423823.db2.gz	IHVHAEUHZXVCEK-UHFFFAOYSA-N	1	0	356.401	1.892	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000552192658	543435499	/nfs/dbraw/zinc/43/54/99/543435499.db2.gz	BPJTUINDNAZEPC-QGZVFWFLSA-N	1	0	361.511	1.755	20	30		FDEDRO
C[NH+](C)[C@H]1CN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C[C@@H]1O	ZINC000552434928	543466531	/nfs/dbraw/zinc/46/65/31/543466531.db2.gz	HOVPWRICSDGCBJ-PMACEKPBSA-N	1	0	365.433	1.884	20	30		FDEDRO
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCN(c3ncccc3C#N)CC1)C2	ZINC000075314671	172091097	/nfs/dbraw/zinc/09/10/97/172091097.db2.gz	OBRGUTHYEHMPLA-AYHJJNSGSA-N	1	0	368.485	1.800	20	30		FDEDRO
CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000076298817	172105563	/nfs/dbraw/zinc/10/55/63/172105563.db2.gz	SZAXKPCPSKQTFN-UHFFFAOYSA-N	1	0	356.348	1.974	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@@H](N2CC[NH+](CC3CCOCC3)CC2)C1=O	ZINC000083199120	172203245	/nfs/dbraw/zinc/20/32/45/172203245.db2.gz	NEXWHWIHVBGVEW-QGZVFWFLSA-N	1	0	374.510	1.769	20	30		FDEDRO
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)n1	ZINC000091239064	172280403	/nfs/dbraw/zinc/28/04/03/172280403.db2.gz	IZZHZPPPBGLOBS-AWEZNQCLSA-N	1	0	372.473	1.393	20	30		FDEDRO
COCc1nc2n(n1)C[C@H]([NH2+][C@H]1CCN(c3ccc(C#N)cc3)C1=O)CC2	ZINC000124699474	172978282	/nfs/dbraw/zinc/97/82/82/172978282.db2.gz	QIDLBRGPXHUAGY-ZBFHGGJFSA-N	1	0	366.425	1.006	20	30		FDEDRO
C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1CCCN(c2ccccc2C#N)C1	ZINC000126196981	173032181	/nfs/dbraw/zinc/03/21/81/173032181.db2.gz	DDZYGEBBOIPDSP-VQIMIIECSA-N	1	0	359.474	1.139	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@@H](C)C[C@H](C)C3)CC2)o1	ZINC000127359141	173072741	/nfs/dbraw/zinc/07/27/41/173072741.db2.gz	NFWXZUXFLZCNJJ-CABCVRRESA-N	1	0	359.474	1.871	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)CN3CCc4ccsc4C3)CC2)o1	ZINC000132774096	173243002	/nfs/dbraw/zinc/24/30/02/173243002.db2.gz	MLTYSEHPONLBFK-UHFFFAOYSA-N	1	0	371.466	1.623	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNC(=O)NCc2ccc(C#N)cc2)ccn1	ZINC000135060807	173338146	/nfs/dbraw/zinc/33/81/46/173338146.db2.gz	CHNQXXGPGABFGD-UHFFFAOYSA-N	1	0	353.426	1.893	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCC(=O)N(C)c1ccccc1	ZINC000135145055	173340164	/nfs/dbraw/zinc/34/01/64/173340164.db2.gz	XPMYZXPWXZTYFV-INIZCTEOSA-N	1	0	364.453	1.912	20	30		FDEDRO
COc1ccc(C[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)cc1C#N	ZINC000135188754	173341092	/nfs/dbraw/zinc/34/10/92/173341092.db2.gz	VKQIAJGZMGJJOE-UHFFFAOYSA-N	1	0	370.497	1.943	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[NH+]1CCC(N2CCCNC2=O)CC1	ZINC000135403424	173343862	/nfs/dbraw/zinc/34/38/62/173343862.db2.gz	HXXDXTMNMAMFNJ-UHFFFAOYSA-N	1	0	358.442	1.825	20	30		FDEDRO
CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000151248942	173395176	/nfs/dbraw/zinc/39/51/76/173395176.db2.gz	PYDWDZHVNIDXBM-QGZVFWFLSA-N	1	0	352.442	1.738	20	30		FDEDRO
C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000176557071	174077410	/nfs/dbraw/zinc/07/74/10/174077410.db2.gz	IVBLXOZXKXDAHJ-SJORKVTESA-N	1	0	356.474	1.658	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)s1	ZINC000176960537	174097459	/nfs/dbraw/zinc/09/74/59/174097459.db2.gz	WUUNJSCBOGAURT-UHFFFAOYSA-N	1	0	356.455	1.238	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)NCCN1CCC([NH+](C)C)CC1	ZINC000177155951	174109396	/nfs/dbraw/zinc/10/93/96/174109396.db2.gz	XLPXWVJPDUUPFQ-UHFFFAOYSA-N	1	0	360.458	1.088	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1	ZINC000178456730	174189294	/nfs/dbraw/zinc/18/92/94/174189294.db2.gz	UZPQZKGFVJMDED-DOTOQJQBSA-N	1	0	370.453	1.838	20	30		FDEDRO
CC[C@H](CO)[NH+]1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000173740079	258308684	/nfs/dbraw/zinc/30/86/84/258308684.db2.gz	ZONVYMMRKBWLAH-OAHLLOKOSA-N	1	0	350.850	1.539	20	30		FDEDRO
CC[C@H]1CN(CCNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CCO1	ZINC000553207446	543587849	/nfs/dbraw/zinc/58/78/49/543587849.db2.gz	KUJXYBZUKVJUIX-IRXDYDNUSA-N	1	0	374.460	1.751	20	30		FDEDRO
C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1CCC[N@H+]1CCOC	ZINC000553276677	543601278	/nfs/dbraw/zinc/60/12/78/543601278.db2.gz	KUTGLTTYHXZWLS-LJQANCHMSA-N	1	0	373.497	1.818	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCO[C@H](CC(C)C)C2)CC1	ZINC000553330102	543610881	/nfs/dbraw/zinc/61/08/81/543610881.db2.gz	XNJNJHLRESMDTK-DLBZAZTESA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@]2(CO)CC(C)C)CC1	ZINC000553330879	543611054	/nfs/dbraw/zinc/61/10/54/543611054.db2.gz	XNCRCQVCQUPNAV-IBGZPJMESA-N	1	0	351.491	1.153	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2cnc(C(C)C)nc2)CC1	ZINC000553671439	543678544	/nfs/dbraw/zinc/67/85/44/543678544.db2.gz	RYPBLFDDMIZFRF-UHFFFAOYSA-N	1	0	359.474	1.325	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1	ZINC000553947865	543722864	/nfs/dbraw/zinc/72/28/64/543722864.db2.gz	SXPAMAYAMTVOAP-UHFFFAOYSA-N	1	0	365.518	1.951	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1	ZINC000553984166	543728780	/nfs/dbraw/zinc/72/87/80/543728780.db2.gz	DFFXLTCOCTTZGS-QGZVFWFLSA-N	1	0	357.454	1.564	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCC1CC[NH+](CC)CC1	ZINC000553897277	543713719	/nfs/dbraw/zinc/71/37/19/543713719.db2.gz	FCIBDBNODWQDSB-IRXDYDNUSA-N	1	0	351.491	1.322	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCc2nnc(C)n2C1	ZINC000554591329	543831627	/nfs/dbraw/zinc/83/16/27/543831627.db2.gz	RSWMIAUYBSMTIM-FUHWJXTLSA-N	1	0	356.470	1.907	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1	ZINC000554714977	543858807	/nfs/dbraw/zinc/85/88/07/543858807.db2.gz	DWRWAXWHDOJQOY-IRXDYDNUSA-N	1	0	351.491	1.295	20	30		FDEDRO
CCc1oc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)cc1C(=O)OC	ZINC000555192204	543924102	/nfs/dbraw/zinc/92/41/02/543924102.db2.gz	IHEXLCKNVQYYAV-UHFFFAOYSA-N	1	0	359.386	1.628	20	30		FDEDRO
CC1CC[NH+](CCCNC(=O)N2CCN(c3cnccc3C#N)CC2)CC1	ZINC000555545422	543970327	/nfs/dbraw/zinc/97/03/27/543970327.db2.gz	AATCFZILYJRCDO-UHFFFAOYSA-N	1	0	370.501	1.907	20	30		FDEDRO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCC[C@@H](O)CC2)CC1	ZINC000555774041	544026508	/nfs/dbraw/zinc/02/65/08/544026508.db2.gz	MSOWCCYDTHRJSS-CVEARBPZSA-N	1	0	362.499	1.304	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1	ZINC000555592355	543982761	/nfs/dbraw/zinc/98/27/61/543982761.db2.gz	OJMIVBZMQHEHGD-RBUKOAKNSA-N	1	0	372.469	1.576	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1	ZINC000555644295	543994993	/nfs/dbraw/zinc/99/49/93/543994993.db2.gz	CJEJVQUEXRFFAF-HZPDHXFCSA-N	1	0	351.491	1.465	20	30		FDEDRO
C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](O)[C@H](N(C)CC(=O)OC(C)(C)C)C1	ZINC000556084066	544090903	/nfs/dbraw/zinc/09/09/03/544090903.db2.gz	HDZGTWZJHIIOHD-ZTFGCOKTSA-N	1	0	359.470	1.938	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C)C[C@H]2CC)cc1	ZINC000556685378	544175011	/nfs/dbraw/zinc/17/50/11/544175011.db2.gz	OIHAUHVWMNICAY-MRXNPFEDSA-N	1	0	358.442	1.094	20	30		FDEDRO
C[N@@H+]1CCC[C@H](CCNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000556779890	544199990	/nfs/dbraw/zinc/19/99/90/544199990.db2.gz	YSWUCCLKZXOPCF-WBVHZDCISA-N	1	0	357.458	1.848	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](CCNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000556779887	544200197	/nfs/dbraw/zinc/20/01/97/544200197.db2.gz	YSWUCCLKZXOPCF-DOTOQJQBSA-N	1	0	357.458	1.848	20	30		FDEDRO
Cc1[nH]c(=O)c(Br)cc1C(=O)NC1(C#N)CC[NH+](C)CC1	ZINC000556819215	544207590	/nfs/dbraw/zinc/20/75/90/544207590.db2.gz	YWRGYHODVYNWFL-UHFFFAOYSA-N	1	0	353.220	1.576	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000557016417	544234894	/nfs/dbraw/zinc/23/48/94/544234894.db2.gz	ZJEMVMJBEJGBDV-KRWDZBQOSA-N	1	0	361.511	1.660	20	30		FDEDRO
N#Cc1cnn2c1NC[C@H](C[NH2+]CCc1nccn1Cc1ccccc1)C2	ZINC000557596559	544315946	/nfs/dbraw/zinc/31/59/46/544315946.db2.gz	IOMCBACVPBIFHH-KRWDZBQOSA-N	1	0	361.453	1.874	20	30		FDEDRO
COc1cc(OC)c2ncc(C#N)c(N3CC[N@H+](CCO)[C@@H](C)C3)c2c1	ZINC000557660138	544325961	/nfs/dbraw/zinc/32/59/61/544325961.db2.gz	FGGPETVRIVCDFC-ZDUSSCGKSA-N	1	0	356.426	1.626	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H](C)C1CCN(CC(F)(F)F)CC1	ZINC000559234776	544610508	/nfs/dbraw/zinc/61/05/08/544610508.db2.gz	OKZLSOJJRYYTCF-LLVKDONJSA-N	1	0	350.385	1.251	20	30		FDEDRO
CC(C)(CNC(=O)C(=O)N1CCc2ccc(C#N)cc21)[NH+]1CCCCC1	ZINC000559502992	544708391	/nfs/dbraw/zinc/70/83/91/544708391.db2.gz	COOFHBIPFQCQSY-UHFFFAOYSA-N	1	0	354.454	1.828	20	30		FDEDRO
CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCc1cccc(C#N)c1	ZINC000559723253	544775124	/nfs/dbraw/zinc/77/51/24/544775124.db2.gz	IEHXJRJGHSAGBU-SFHVURJKSA-N	1	0	356.470	1.945	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCO[C@](C)(CC)C1)C(C)C	ZINC000559866886	544826489	/nfs/dbraw/zinc/82/64/89/544826489.db2.gz	CMULEPFQVUFLSF-YLJYHZDGSA-N	1	0	365.518	1.829	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1)C(C)C	ZINC000559866954	544827071	/nfs/dbraw/zinc/82/70/71/544827071.db2.gz	VMWPREVBEGCBFS-WNRNVDISSA-N	1	0	363.502	1.031	20	30		FDEDRO
N#Cc1cccc(NC(=O)C2CC[NH+](CCCN3C(=O)CNC3=O)CC2)c1	ZINC000299640537	259012813	/nfs/dbraw/zinc/01/28/13/259012813.db2.gz	NFLNGVNUVPOBOS-UHFFFAOYSA-N	1	0	369.425	1.151	20	30		FDEDRO
Cc1cccc(C[NH+]2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)c1	ZINC000301376764	259026515	/nfs/dbraw/zinc/02/65/15/259026515.db2.gz	XYWVJBSOQKWLIH-UHFFFAOYSA-N	1	0	370.478	1.836	20	30		FDEDRO
CC(C)(C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1)[NH+]1CCCCC1	ZINC000972086653	782034415	/nfs/dbraw/zinc/03/44/15/782034415.db2.gz	UOAJZKTZWUADGW-QZTJIDSGSA-N	1	0	357.498	1.724	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)Cc2cc(C#N)ccc2F)C1	ZINC000329140017	259079956	/nfs/dbraw/zinc/07/99/56/259079956.db2.gz	STJRDGJUYXIIOR-WMLDXEAASA-N	1	0	351.447	1.943	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C[C@@H]1[NH+](C)C	ZINC000330601572	259153063	/nfs/dbraw/zinc/15/30/63/259153063.db2.gz	ZODRUEJGWRUSOQ-QWHCGFSZSA-N	1	0	370.456	1.133	20	30		FDEDRO
Cc1cc(S(=O)(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)ccc1C#N	ZINC000331280161	259184922	/nfs/dbraw/zinc/18/49/22/259184922.db2.gz	HRSYBSCCANNKLC-INIZCTEOSA-N	1	0	351.472	1.238	20	30		FDEDRO
CC1(C)CN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[NH2+]1	ZINC000331928093	259229433	/nfs/dbraw/zinc/22/94/33/259229433.db2.gz	WCLNHISDMIKLPT-MRXNPFEDSA-N	1	0	355.442	1.447	20	30		FDEDRO
N#Cc1ccc(NC(=O)N2CCCO[C@@H](C[NH3+])C2)cc1Br	ZINC000332259957	259253140	/nfs/dbraw/zinc/25/31/40/259253140.db2.gz	DSMYJPMIYFJFBG-LBPRGKRZSA-N	1	0	353.220	1.902	20	30		FDEDRO
CO[C@@]1(C)CCC[N@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1	ZINC000332405782	259264117	/nfs/dbraw/zinc/26/41/17/259264117.db2.gz	OXCSEDIHYIWCBI-SFHVURJKSA-N	1	0	361.446	1.004	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCCC[C@H]3CC(N)=O)CC2)o1	ZINC000332420718	259265549	/nfs/dbraw/zinc/26/55/49/259265549.db2.gz	WLGWCSZBEIWBND-AWEZNQCLSA-N	1	0	374.445	1.283	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C[C@H](C)[NH2+]1	ZINC000332529477	259273837	/nfs/dbraw/zinc/27/38/37/259273837.db2.gz	GOZROZXUQHQAAI-GJZGRUSLSA-N	1	0	352.438	1.383	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C	ZINC000332628957	259283980	/nfs/dbraw/zinc/28/39/80/259283980.db2.gz	VZJHUXSVLRQRRT-STQMWFEESA-N	1	0	354.458	1.701	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)C3(c4ccc(C#N)cc4)CC3)CC2)C1=O	ZINC000333465877	259351248	/nfs/dbraw/zinc/35/12/48/259351248.db2.gz	MSHGSQWRSZBKNF-SFHVURJKSA-N	1	0	366.465	1.401	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1	ZINC000333579043	259360669	/nfs/dbraw/zinc/36/06/69/259360669.db2.gz	NNMJFSXICKKDDK-UHFFFAOYSA-N	1	0	371.466	1.692	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCCC[C@@H]2n2cccn2)nc1	ZINC000367373780	260031928	/nfs/dbraw/zinc/03/19/28/260031928.db2.gz	YBSDPSATEUYINF-HOTGVXAUSA-N	1	0	359.455	1.697	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1[NH2+]CCc2ccccc21	ZINC000367697703	260079076	/nfs/dbraw/zinc/07/90/76/260079076.db2.gz	MYHNINSEXMMABM-HNNXBMFYSA-N	1	0	372.406	1.632	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@]3(C)CCO[C@@H]3C3CC3)CC2)o1	ZINC000368197335	260148461	/nfs/dbraw/zinc/14/84/61/260148461.db2.gz	DEYATEYEIIMIBA-IEBWSBKVSA-N	1	0	373.457	1.051	20	30		FDEDRO
COC(=O)c1cn([C@H]2CCN([C@@H](C)C(=O)Nc3ccccc3C#N)C2)nn1	ZINC000368835138	260245524	/nfs/dbraw/zinc/24/55/24/260245524.db2.gz	PTGIKHLTDVJODL-JSGCOSHPSA-N	1	0	368.397	1.210	20	30		FDEDRO
COC(=O)c1cn([C@@H]2CCC[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)nn1	ZINC000368843481	260246815	/nfs/dbraw/zinc/24/68/15/260246815.db2.gz	LYXYIQNDZISFEL-NVXWUHKLSA-N	1	0	355.398	1.307	20	30		FDEDRO
Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc(C#N)cc2)cn1	ZINC000369230845	260317513	/nfs/dbraw/zinc/31/75/13/260317513.db2.gz	VZEXJJCXFPLRKJ-NLWGTHIKSA-N	1	0	370.453	1.620	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1	ZINC000369355971	260346424	/nfs/dbraw/zinc/34/64/24/260346424.db2.gz	TYCKUOOGCYTVGP-FUHWJXTLSA-N	1	0	356.470	1.564	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)ccc1F	ZINC000286250810	675893309	/nfs/dbraw/zinc/89/33/09/675893309.db2.gz	VDNHCUXUIVSOHR-XHBSWPGZSA-N	1	0	369.462	1.406	20	30		FDEDRO
N#Cc1ncn(C2CC[NH+](CCCN3C(=O)c4ccccc4C3=O)CC2)n1	ZINC000373412157	261008574	/nfs/dbraw/zinc/00/85/74/261008574.db2.gz	LBRPZCAWEMARBQ-UHFFFAOYSA-N	1	0	364.409	1.473	20	30		FDEDRO
CCOC(=O)C[C@H]1C[C@H](OC)CN1CC(=O)NCc1cccc(C#N)c1	ZINC000373584129	261022373	/nfs/dbraw/zinc/02/23/73/261022373.db2.gz	KOPXXXPSTODSQX-SJORKVTESA-N	1	0	359.426	1.217	20	30		FDEDRO
C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1	ZINC000373701655	261032359	/nfs/dbraw/zinc/03/23/59/261032359.db2.gz	SXSXZZFIQJJOIZ-APWZRJJASA-N	1	0	368.481	1.897	20	30		FDEDRO
N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)NCCC[NH+]2CCCC2)c1	ZINC000373756598	261037544	/nfs/dbraw/zinc/03/75/44/261037544.db2.gz	FZOJXPGENUHBNS-SFHVURJKSA-N	1	0	354.454	1.651	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2ccc(C#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000374296805	261105693	/nfs/dbraw/zinc/10/56/93/261105693.db2.gz	OWNRHBKAQWRDTJ-XLIONFOSSA-N	1	0	354.498	1.975	20	30		FDEDRO
C[C@@H]1CN(CC(=O)NCc2cccc(C#N)c2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000374323377	261110542	/nfs/dbraw/zinc/11/05/42/261110542.db2.gz	IBMPZDXQTDXOOF-XLIONFOSSA-N	1	0	369.513	1.132	20	30		FDEDRO
Cc1oc(NC(=O)CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(C#N)c1C	ZINC000374420815	261128504	/nfs/dbraw/zinc/12/85/04/261128504.db2.gz	MKWMAKVMRXNLBK-HYVNUMGLSA-N	1	0	360.458	1.890	20	30		FDEDRO
CCCc1c(NC(=O)C(=O)NCC[NH+](C)C)cnn1-c1cccc(C#N)c1	ZINC000375570501	261372929	/nfs/dbraw/zinc/37/29/29/261372929.db2.gz	YWNMRTSVWLYDAK-UHFFFAOYSA-N	1	0	368.441	1.313	20	30		FDEDRO
C[C@H](CNC(=O)N1CCC(n2cnc(C#N)n2)CC1)[N@@H+]1CCC[C@@H](C)C1	ZINC000375678256	261397071	/nfs/dbraw/zinc/39/70/71/261397071.db2.gz	ZVMBROXKXCWXSK-HUUCEWRRSA-N	1	0	359.478	1.617	20	30		FDEDRO
C[NH+](C)CC1(CNC(=O)N2CCC(n3cnc(C#N)n3)CC2)CCCC1	ZINC000375707498	261403294	/nfs/dbraw/zinc/40/32/94/261403294.db2.gz	MWWAWNXPZNHNNE-UHFFFAOYSA-N	1	0	359.478	1.618	20	30		FDEDRO
CN1CC[NH+](C[C@H]2CCCN(CC(=O)Nc3cccc(C#N)c3)C2)CC1	ZINC000378300886	262004290	/nfs/dbraw/zinc/00/42/90/262004290.db2.gz	ZQXFVVONVVBRBR-GOSISDBHSA-N	1	0	355.486	1.456	20	30		FDEDRO
CN1CCN(C2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)C(=O)C1	ZINC000378586641	262049390	/nfs/dbraw/zinc/04/93/90/262049390.db2.gz	GLIPURDNLVTNJR-UHFFFAOYSA-N	1	0	369.469	1.125	20	30		FDEDRO
COC[C@@H](O)C[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1	ZINC000926372821	782077893	/nfs/dbraw/zinc/07/78/93/782077893.db2.gz	JOSIFQCZENSOOR-CABCVRRESA-N	1	0	355.479	1.903	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cnc3scc(C)n3c2=O)c1C#N	ZINC000539560176	490789457	/nfs/dbraw/zinc/78/94/57/490789457.db2.gz	NPVSKFKCCXKCSZ-UHFFFAOYSA-N	1	0	371.426	1.064	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccn(Cc3ccncc3)n2)CC1	ZINC000505056361	490818394	/nfs/dbraw/zinc/81/83/94/490818394.db2.gz	UQIWURHGGNXVAD-UHFFFAOYSA-N	1	0	368.441	1.032	20	30		FDEDRO
CCN1CCO[C@H](CNC(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1	ZINC000613159734	491970410	/nfs/dbraw/zinc/97/04/10/491970410.db2.gz	NNSJGFGYOSSCIH-OAHLLOKOSA-N	1	0	369.429	1.290	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1	ZINC000019016024	518801096	/nfs/dbraw/zinc/80/10/96/518801096.db2.gz	UKBWIVNEEHKGTG-INIZCTEOSA-N	1	0	361.442	1.419	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCCCNC(N)=O)CC2)cc1	ZINC000025640982	519074586	/nfs/dbraw/zinc/07/45/86/519074586.db2.gz	WZAWUMHHMPLMPK-UHFFFAOYSA-N	1	0	357.458	1.431	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NCCC[N@@H+](C)CCOC)cc2C1=O	ZINC000041966970	519674392	/nfs/dbraw/zinc/67/43/92/519674392.db2.gz	ZVSSHFZNNFFDIF-UHFFFAOYSA-N	1	0	359.426	1.167	20	30		FDEDRO
C=CCc1ccc(OCC(=O)NCCN2CC[NH+](CC)CC2)c(OC)c1	ZINC000042590005	519697017	/nfs/dbraw/zinc/69/70/17/519697017.db2.gz	LWVVPVWDMHVSJX-UHFFFAOYSA-N	1	0	361.486	1.556	20	30		FDEDRO
CCCNC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000042761108	521780307	/nfs/dbraw/zinc/78/03/07/521780307.db2.gz	MPZVZKWHVHGJCQ-GOSISDBHSA-N	1	0	359.470	1.731	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)CN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000069016999	521781232	/nfs/dbraw/zinc/78/12/32/521781232.db2.gz	UAXZDYWAWPJULH-KURKYZTESA-N	1	0	364.534	1.816	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2cc(C)on2)CC1	ZINC000043671614	521881934	/nfs/dbraw/zinc/88/19/34/521881934.db2.gz	OCMYMXSBFLMYQO-GFCCVEGCSA-N	1	0	363.418	1.034	20	30		FDEDRO
C[C@@H](CN1CCCC1=O)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000057017108	521978020	/nfs/dbraw/zinc/97/80/20/521978020.db2.gz	KPGPNIRCISGPSO-INIZCTEOSA-N	1	0	371.485	1.642	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1	ZINC000069935781	521983724	/nfs/dbraw/zinc/98/37/24/521983724.db2.gz	UIQCWRBLJORSFT-SFHVURJKSA-N	1	0	372.469	1.843	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@H](C)[N@H+](C)C1CC1	ZINC000057713713	522142008	/nfs/dbraw/zinc/14/20/08/522142008.db2.gz	TYQJGFMFSJWGBE-LBPRGKRZSA-N	1	0	354.458	1.749	20	30		FDEDRO
C[C@H]1CCC[C@@H](NC(=O)CN2CC[NH+](CCCSCC#N)CC2)C1	ZINC000072517904	522314304	/nfs/dbraw/zinc/31/43/04/522314304.db2.gz	ZYKLIPAIQIEILV-DLBZAZTESA-N	1	0	352.548	1.946	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)c1	ZINC000046862042	522370909	/nfs/dbraw/zinc/37/09/09/522370909.db2.gz	BOSUCCMXTMAZDN-OAHLLOKOSA-N	1	0	365.499	1.613	20	30		FDEDRO
Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)N(CCC#N)CCC[NH+](C)C	ZINC000072783503	522378750	/nfs/dbraw/zinc/37/87/50/522378750.db2.gz	JPWBHOIRWOHKTN-UHFFFAOYSA-N	1	0	372.473	1.115	20	30		FDEDRO
COCCOCCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000047050211	522433174	/nfs/dbraw/zinc/43/31/74/522433174.db2.gz	UYAGIKVTOYQNCR-UHFFFAOYSA-N	1	0	360.458	1.439	20	30		FDEDRO
CC[NH+]=C(NCCc1nccs1)N1CCN(C(=O)c2ccco2)CC1	ZINC000073189890	522484538	/nfs/dbraw/zinc/48/45/38/522484538.db2.gz	HLGZOFHSPVPSCK-UHFFFAOYSA-N	1	0	361.471	1.702	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1cccc(OCC#N)c1)[N@@H+]1CCC[C@@H](C)C1	ZINC000062121293	522512794	/nfs/dbraw/zinc/51/27/94/522512794.db2.gz	CVOSJYWJEHQIAI-HUUCEWRRSA-N	1	0	358.442	1.764	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)CC1	ZINC000073454948	522529478	/nfs/dbraw/zinc/52/94/78/522529478.db2.gz	FGMYHWNEGOBAIA-OAHLLOKOSA-N	1	0	361.490	1.455	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000063756143	522641508	/nfs/dbraw/zinc/64/15/08/522641508.db2.gz	RSTAWHLDUVJSJS-UHFFFAOYSA-N	1	0	357.414	1.797	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CC[NH+](CCc2cccs2)CC1	ZINC000064351739	522708036	/nfs/dbraw/zinc/70/80/36/522708036.db2.gz	VTCVRGHLWOZGRH-AWEZNQCLSA-N	1	0	350.488	1.309	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CSc1nnnn1C1CCCC1	ZINC000064381088	522709609	/nfs/dbraw/zinc/70/96/09/522709609.db2.gz	DWJFDQHDIPZHIT-UHFFFAOYSA-N	1	0	365.507	1.574	20	30		FDEDRO
CC1(C)CC(NC(=O)C(=O)Nc2cccc(OCC#N)c2)CC(C)(C)[NH2+]1	ZINC000048605241	522757429	/nfs/dbraw/zinc/75/74/29/522757429.db2.gz	GSVXUVSSKJOGNB-UHFFFAOYSA-N	1	0	358.442	1.953	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC000049131995	522816507	/nfs/dbraw/zinc/81/65/07/522816507.db2.gz	ZDRXESNBIXTUOT-HNNXBMFYSA-N	1	0	358.442	1.908	20	30		FDEDRO
CC1CC[NH+](CCCNC(=O)C(=O)Nc2cccc(OCC#N)c2)CC1	ZINC000049299082	522832794	/nfs/dbraw/zinc/83/27/94/522832794.db2.gz	IBZDEFNJGKFNRY-UHFFFAOYSA-N	1	0	358.442	1.766	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1	ZINC000075435714	522915857	/nfs/dbraw/zinc/91/58/57/522915857.db2.gz	CSPVBUXMLHTASK-INIZCTEOSA-N	1	0	360.433	1.951	20	30		FDEDRO
CC(C)[N@H+](CCNS(=O)(=O)c1cnn(C)c1)Cc1ccc(C#N)cc1	ZINC000075674617	522955822	/nfs/dbraw/zinc/95/58/22/522955822.db2.gz	JSXCNGVPZQRYLA-UHFFFAOYSA-N	1	0	361.471	1.481	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000066241175	522997256	/nfs/dbraw/zinc/99/72/56/522997256.db2.gz	HBPOSDIOZTZCDY-AWEZNQCLSA-N	1	0	352.442	1.788	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)Nc1cccc2c1C[N@H+](CCCOC)C2	ZINC000076393908	523100565	/nfs/dbraw/zinc/10/05/65/523100565.db2.gz	AILWKGKGQUOHTC-AWEZNQCLSA-N	1	0	360.458	1.851	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1	ZINC000076672022	523166396	/nfs/dbraw/zinc/16/63/96/523166396.db2.gz	LCHFHDOINVWHEF-CQSZACIVSA-N	1	0	361.417	1.576	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](C2CC2)[NH+](C)C)cc1	ZINC000076925790	523204309	/nfs/dbraw/zinc/20/43/09/523204309.db2.gz	GNBANQBYZDUWQB-MRXNPFEDSA-N	1	0	351.472	1.221	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2ccc(S(=O)(=O)NC)cc2)CC1	ZINC000066921693	523267166	/nfs/dbraw/zinc/26/71/66/523267166.db2.gz	FXWVTBPFTRNUNB-AWEZNQCLSA-N	1	0	363.483	1.117	20	30		FDEDRO
C[C@@H]1CCC[N@H+](CCNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000067062763	523309573	/nfs/dbraw/zinc/30/95/73/523309573.db2.gz	DKCPYSFSQVXHJC-MRXNPFEDSA-N	1	0	370.501	1.953	20	30		FDEDRO
O=C(NCC[NH+]1CCCCC1)C(=O)Nc1ncn(Cc2ccccc2)n1	ZINC000077693347	523418422	/nfs/dbraw/zinc/41/84/22/523418422.db2.gz	FQUWUCLADITAFC-UHFFFAOYSA-N	1	0	356.430	1.517	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2N(C)C(C)=O)CC1	ZINC000077759539	523450232	/nfs/dbraw/zinc/45/02/32/523450232.db2.gz	LRYXYVBAXMRLSI-UHFFFAOYSA-N	1	0	372.469	1.765	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1	ZINC000077861833	523492600	/nfs/dbraw/zinc/49/26/00/523492600.db2.gz	AJRWEBSAJMGBET-UHFFFAOYSA-N	1	0	358.486	1.797	20	30		FDEDRO
CC[NH+]1CCC(CNC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1	ZINC000067682653	523541992	/nfs/dbraw/zinc/54/19/92/523541992.db2.gz	MVDCCOKZNDJMJM-UHFFFAOYSA-N	1	0	368.485	1.999	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)CC1	ZINC000067707073	523551117	/nfs/dbraw/zinc/55/11/17/523551117.db2.gz	WOJCNUZYNBIWAU-UHFFFAOYSA-N	1	0	350.426	1.959	20	30		FDEDRO
CC(C)(C)NC(=O)CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000053998305	523551986	/nfs/dbraw/zinc/55/19/86/523551986.db2.gz	LUWNKWIRBYUMKR-UHFFFAOYSA-N	1	0	371.485	1.690	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(CCC#N)Cc2ccco2)C1	ZINC000078667255	523633550	/nfs/dbraw/zinc/63/35/50/523633550.db2.gz	RCWBWRRRPAMJPL-GOSISDBHSA-N	1	0	362.474	1.468	20	30		FDEDRO
Cn1cc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cn1	ZINC000054810545	523699359	/nfs/dbraw/zinc/69/93/59/523699359.db2.gz	NDALUSVCDVBBSI-UHFFFAOYSA-N	1	0	352.442	1.709	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1	ZINC000068233135	523738360	/nfs/dbraw/zinc/73/83/60/523738360.db2.gz	QNYKCTGBNGEOAH-SFHVURJKSA-N	1	0	356.470	1.729	20	30		FDEDRO
N#CCSCCC[NH+]1CCN(c2cc(N3CCOCC3)ncn2)CC1	ZINC000080629158	523893985	/nfs/dbraw/zinc/89/39/85/523893985.db2.gz	YYMMCCAQPNAFDO-UHFFFAOYSA-N	1	0	362.503	1.082	20	30		FDEDRO
CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2ccc(F)c(C#N)c2)CC1	ZINC000080822089	523909136	/nfs/dbraw/zinc/90/91/36/523909136.db2.gz	IFWWJAPXKMUNOX-UHFFFAOYSA-N	1	0	369.462	1.865	20	30		FDEDRO
Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)nc1	ZINC000080926922	523918296	/nfs/dbraw/zinc/91/82/96/523918296.db2.gz	UPBCEOUBAHXMMP-HOTGVXAUSA-N	1	0	357.458	1.801	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c(F)c1	ZINC000271666105	674367446	/nfs/dbraw/zinc/36/74/46/674367446.db2.gz	BSYVMICHEOFGCS-ZDUSSCGKSA-N	1	0	351.397	1.977	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3ccc(OCC#N)cc3)C2)CC1	ZINC000110743604	524132718	/nfs/dbraw/zinc/13/27/18/524132718.db2.gz	LXOXQCVTHNWFTA-GOSISDBHSA-N	1	0	356.470	1.370	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CCN(c3ccccc3)C2=O)CC1	ZINC000110912902	524161399	/nfs/dbraw/zinc/16/13/99/524161399.db2.gz	DGDDCBNYKJEIQX-IBGZPJMESA-N	1	0	353.466	1.986	20	30		FDEDRO
CN1CC[N@H+](CCCNC(=O)c2ccc(C#N)[nH]2)[C@H](c2ccccc2)C1	ZINC000157081373	524207403	/nfs/dbraw/zinc/20/74/03/524207403.db2.gz	RZSXWNLWAPLPAC-IBGZPJMESA-N	1	0	351.454	1.995	20	30		FDEDRO
N#CCOc1ccc(CC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1	ZINC000136811308	524215146	/nfs/dbraw/zinc/21/51/46/524215146.db2.gz	LKSGFKLMKQRISP-KRWDZBQOSA-N	1	0	357.454	1.749	20	30		FDEDRO
C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@H](O)CN1CCOCC1	ZINC000083245557	524250393	/nfs/dbraw/zinc/25/03/93/524250393.db2.gz	LJIMXEJGBDLJLI-KRWDZBQOSA-N	1	0	356.388	1.682	20	30		FDEDRO
C=CCC[C@H]([NH2+]CC(=O)NCCCN(C)S(C)(=O)=O)c1ccccc1	ZINC000271672917	674368294	/nfs/dbraw/zinc/36/82/94/674368294.db2.gz	ACYOZURWHALISV-KRWDZBQOSA-N	1	0	367.515	1.681	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)[C@H](C)C1	ZINC000121575910	524298031	/nfs/dbraw/zinc/29/80/31/524298031.db2.gz	LCPWDXYEQQJWEZ-OCCSQVGLSA-N	1	0	366.443	1.817	20	30		FDEDRO
C[N@H+](CCC(=O)Nc1sccc1C#N)C1CCN(S(C)(=O)=O)CC1	ZINC000121634682	524313981	/nfs/dbraw/zinc/31/39/81/524313981.db2.gz	QPBRFVPSIPBSOH-UHFFFAOYSA-N	1	0	370.500	1.304	20	30		FDEDRO
C#CCOc1ccc(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000085324942	524345349	/nfs/dbraw/zinc/34/53/49/524345349.db2.gz	MWVLQVMNXCXHOM-RTBURBONSA-N	1	0	356.378	1.791	20	30		FDEDRO
COC[C@](C)(CCO)[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000085902876	524374084	/nfs/dbraw/zinc/37/40/84/524374084.db2.gz	YSAXQXTWAKMSEE-KRWDZBQOSA-N	1	0	372.387	1.550	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)Cc1ccccc1	ZINC000086432486	524389203	/nfs/dbraw/zinc/38/92/03/524389203.db2.gz	HYARLYYLYYLMFY-MRXNPFEDSA-N	1	0	368.441	1.024	20	30		FDEDRO
CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2ccn(CCC#N)n2)c1	ZINC000086461519	524395874	/nfs/dbraw/zinc/39/58/74/524395874.db2.gz	ZFMLBQOSXCHJSJ-UHFFFAOYSA-N	1	0	368.441	1.503	20	30		FDEDRO
CC[N@H+](CCNS(=O)(=O)c1cnn(C)c1)[C@@H](C)c1ccc(C#N)cc1	ZINC000173562102	524417365	/nfs/dbraw/zinc/41/73/65/524417365.db2.gz	SYMODVVIYDUMOA-AWEZNQCLSA-N	1	0	361.471	1.653	20	30		FDEDRO
C[NH+]1CCN(c2cc(C(=O)N(CCC#N)Cc3ccccn3)ccn2)CC1	ZINC000112289194	524446505	/nfs/dbraw/zinc/44/65/05/524446505.db2.gz	VYOSJUMPQGNLJQ-UHFFFAOYSA-N	1	0	364.453	1.784	20	30		FDEDRO
CCCC[N@H+](C)CCNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000112451553	524486435	/nfs/dbraw/zinc/48/64/35/524486435.db2.gz	CRLCWHUQOVZYLP-UHFFFAOYSA-N	1	0	358.490	1.953	20	30		FDEDRO
CC(C)[C@@H](CNS(=O)(=O)c1ccc(F)cc1C#N)N1CC[NH+](C)CC1	ZINC000122251982	524490518	/nfs/dbraw/zinc/49/05/18/524490518.db2.gz	NHLABZJKHQNIII-MRXNPFEDSA-N	1	0	368.478	1.248	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(C(=O)CNc3cccc(C#N)c3)CC2)c1	ZINC000158680235	524510197	/nfs/dbraw/zinc/51/01/97/524510197.db2.gz	CHBSNDDHWLSVHT-UHFFFAOYSA-N	1	0	351.410	1.723	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)NC(=O)c2ccccc2)c1C#N	ZINC000089661553	524518611	/nfs/dbraw/zinc/51/86/11/524518611.db2.gz	FQYIPOCOAAQKMJ-LBPRGKRZSA-N	1	0	354.414	1.190	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Cc2c(C)nn(C)c2C)c1C#N	ZINC000089675653	524519607	/nfs/dbraw/zinc/51/96/07/524519607.db2.gz	RMSNJEXFVUFSGG-NSHDSACASA-N	1	0	357.462	1.601	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCN([C@H]2CCC[N@H+](C)C2)CC1	ZINC000112638250	524521748	/nfs/dbraw/zinc/52/17/48/524521748.db2.gz	KZIZQPAXSSZNIU-APWZRJJASA-N	1	0	355.486	1.597	20	30		FDEDRO
N#CCOc1cccc(CC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1	ZINC000089830365	524534043	/nfs/dbraw/zinc/53/40/43/524534043.db2.gz	PKKPDWQSHFWODY-KRWDZBQOSA-N	1	0	357.454	1.749	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)NCCCC[N@H+]2CCC[C@@H]2CO)cc1	ZINC000112680286	524536394	/nfs/dbraw/zinc/53/63/94/524536394.db2.gz	PMXIEZCITZNALE-GOSISDBHSA-N	1	0	374.485	1.961	20	30		FDEDRO
COc1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc1C#N	ZINC000174384778	524560377	/nfs/dbraw/zinc/56/03/77/524560377.db2.gz	JXLBQVDVVXYTNK-UHFFFAOYSA-N	1	0	373.425	1.921	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[N@H+](CCO)CCOCC(F)(F)F)cc1	ZINC000112982626	524608919	/nfs/dbraw/zinc/60/89/19/524608919.db2.gz	CHGWVDLJEYQOAX-UHFFFAOYSA-N	1	0	359.348	1.760	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)n1	ZINC000091213480	524664214	/nfs/dbraw/zinc/66/42/14/524664214.db2.gz	DMPKHLFQESYMEK-AWEZNQCLSA-N	1	0	360.462	1.511	20	30		FDEDRO
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)n1	ZINC000091221787	524668266	/nfs/dbraw/zinc/66/82/66/524668266.db2.gz	WCLSAOKTBMGKCK-AWEZNQCLSA-N	1	0	372.473	1.581	20	30		FDEDRO
C[C@H](CNC(=O)NCc1ccc(OCC#N)cc1)C[NH+]1CCN(C)CC1	ZINC000174658702	524679460	/nfs/dbraw/zinc/67/94/60/524679460.db2.gz	FSTLBWISEBPWRQ-MRXNPFEDSA-N	1	0	359.474	1.272	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)NCC[N@@H+](CC)CCC)cc1	ZINC000174664889	524680821	/nfs/dbraw/zinc/68/08/21/524680821.db2.gz	ZFMNNWRAJICLHE-UHFFFAOYSA-N	1	0	351.472	1.060	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NC[C@H](C)C#N)cc2)CC1	ZINC000091280783	524687696	/nfs/dbraw/zinc/68/76/96/524687696.db2.gz	JMCKAXGLXWLBTN-OAHLLOKOSA-N	1	0	357.458	1.038	20	30		FDEDRO
C[C@H](CN1CCOCC1)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000091552486	524725004	/nfs/dbraw/zinc/72/50/04/524725004.db2.gz	WAWISUSEINXZSM-QGZVFWFLSA-N	1	0	365.481	1.949	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCCC2)N1CCN(c2ccccc2F)CC1	ZINC000113945887	524730097	/nfs/dbraw/zinc/73/00/97/524730097.db2.gz	WVJYGQVYIFZHIV-UHFFFAOYSA-N	1	0	371.464	1.651	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2CN2CCOCC2)CC1	ZINC000174769637	524730528	/nfs/dbraw/zinc/73/05/28/524730528.db2.gz	ADFRTUFZZCXKNH-GOSISDBHSA-N	1	0	350.507	1.533	20	30		FDEDRO
C[NH+]=C(NCC(=O)N1CCCc2ccccc21)N1CCC(C(=O)OC)CC1	ZINC000114077427	524741212	/nfs/dbraw/zinc/74/12/12/524741212.db2.gz	RHRXRAIJNITURV-UHFFFAOYSA-N	1	0	372.469	1.426	20	30		FDEDRO
CC[NH+](CC)CCN(CCOC)C(=O)C(=O)Nc1cccc(C)c1C#N	ZINC000174840679	524755876	/nfs/dbraw/zinc/75/58/76/524755876.db2.gz	CXFOEIARMDCPPP-UHFFFAOYSA-N	1	0	360.458	1.622	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccccn2)c1C#N	ZINC000174848648	524759509	/nfs/dbraw/zinc/75/95/09/524759509.db2.gz	ZTKXCMLMBSXYLA-UHFFFAOYSA-N	1	0	365.437	1.791	20	30		FDEDRO
C[NH+](C)CCCNC(=O)CC1S/C(=N\Cc2ccc(F)cc2)NC1=O	ZINC000174892404	524780619	/nfs/dbraw/zinc/78/06/19/524780619.db2.gz	UTPOGLQWWOPCHT-AWEZNQCLSA-N	1	0	366.462	1.371	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(C[NH2+]C)CC2)c1	ZINC000123811235	524834834	/nfs/dbraw/zinc/83/48/34/524834834.db2.gz	ZMKJHAAUDBCRMI-UHFFFAOYSA-N	1	0	351.472	1.223	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@H](C[NH+]3CCCC3)C2)CC1	ZINC000092618802	524899660	/nfs/dbraw/zinc/89/96/60/524899660.db2.gz	PJORYMRADTVABO-RTBURBONSA-N	1	0	361.534	1.096	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCc3ccccc3CC2)CC1	ZINC000092618724	524901806	/nfs/dbraw/zinc/90/18/06/524901806.db2.gz	WZAUXNNGRVUZSK-HXUWFJFHSA-N	1	0	354.498	1.780	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@H+](C)C2(C(N)=O)CCCC2)c(OC)c1	ZINC000093212511	524967259	/nfs/dbraw/zinc/96/72/59/524967259.db2.gz	HOHNSDJBKWAKEN-INIZCTEOSA-N	1	0	362.470	1.893	20	30		FDEDRO
C[NH+]=C(NCCN1C(=O)Cc2ccccc21)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000175576606	524979110	/nfs/dbraw/zinc/97/91/10/524979110.db2.gz	ZMLABBGTCOAQRU-MRXNPFEDSA-N	1	0	366.469	1.374	20	30		FDEDRO
C=CCOc1ccc(C[N@H+](C)C[C@H](O)CN2CCOCC2)cc1OC	ZINC000093583638	524995235	/nfs/dbraw/zinc/99/52/35/524995235.db2.gz	QFNBVHXHAFLGLD-KRWDZBQOSA-N	1	0	350.459	1.385	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CCCN(c3ccccc3)C2=O)CC1	ZINC000115500869	525006982	/nfs/dbraw/zinc/00/69/82/525006982.db2.gz	SUXMBQZQOPNSHG-IBGZPJMESA-N	1	0	353.466	1.986	20	30		FDEDRO
C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1	ZINC000152806320	525011697	/nfs/dbraw/zinc/01/16/97/525011697.db2.gz	JACDEIRFFMVRDZ-LJQANCHMSA-N	1	0	357.410	1.773	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccc(F)cc2C#N)CC1	ZINC000152912634	525044389	/nfs/dbraw/zinc/04/43/89/525044389.db2.gz	IJGPMFPNFLLJFN-INIZCTEOSA-N	1	0	359.405	1.468	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)cc1	ZINC000161259469	525066820	/nfs/dbraw/zinc/06/68/20/525066820.db2.gz	NVAWXNZRDBGEBP-GDBMZVCRSA-N	1	0	358.360	1.933	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000124849575	525093073	/nfs/dbraw/zinc/09/30/73/525093073.db2.gz	GFIUYACSVOILHL-KRWDZBQOSA-N	1	0	362.499	1.349	20	30		FDEDRO
C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000161423705	525104956	/nfs/dbraw/zinc/10/49/56/525104956.db2.gz	UCIHYLITUWUCHK-CYBMUJFWSA-N	1	0	365.377	1.168	20	30		FDEDRO
CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)c2ccc(F)c(C#N)c2)CC1	ZINC000161686686	525152463	/nfs/dbraw/zinc/15/24/63/525152463.db2.gz	NLQSVMHCLLZYOH-AWEZNQCLSA-N	1	0	355.435	1.068	20	30		FDEDRO
N#Cc1cc(Cl)ccc1S(=O)(=O)NCCCC[N@H+]1CCC[C@H]1CO	ZINC000161728465	525159651	/nfs/dbraw/zinc/15/96/51/525159651.db2.gz	GRMQUKYOUMTMOB-HNNXBMFYSA-N	1	0	371.890	1.727	20	30		FDEDRO
N#CCCn1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)n1	ZINC000125190433	525161148	/nfs/dbraw/zinc/16/11/48/525161148.db2.gz	OKDWZQNMQATBES-HZPDHXFCSA-N	1	0	360.462	1.686	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1	ZINC000176900009	525197099	/nfs/dbraw/zinc/19/70/99/525197099.db2.gz	WPEXIWJIGMTOMV-INIZCTEOSA-N	1	0	372.469	1.788	20	30		FDEDRO
C[C@@H](C(=O)N1CCc2ccccc21)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000125486487	525206583	/nfs/dbraw/zinc/20/65/83/525206583.db2.gz	DCXPYFBPDNEBLM-ZDUSSCGKSA-N	1	0	352.442	1.706	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	ZINC000176957069	525207085	/nfs/dbraw/zinc/20/70/85/525207085.db2.gz	YQKCQIZEHQMPRF-UHFFFAOYSA-N	1	0	366.424	1.596	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1	ZINC000125508587	525208720	/nfs/dbraw/zinc/20/87/20/525208720.db2.gz	SBOWHZHINZCEKD-ZHALLVOQSA-N	1	0	357.454	1.483	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000116922575	525252917	/nfs/dbraw/zinc/25/29/17/525252917.db2.gz	GLDZTGMOKXSGDM-UHFFFAOYSA-N	1	0	360.395	1.535	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC3(CC2)[C@H](O)C[C@H]3OCC)CC1	ZINC000163008927	525349330	/nfs/dbraw/zinc/34/93/30/525349330.db2.gz	PWQFQFUWCFKHIU-QZTJIDSGSA-N	1	0	365.518	1.988	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[N@@H+](CC)CC2)cc1	ZINC000163167692	525370207	/nfs/dbraw/zinc/37/02/07/525370207.db2.gz	DPAGTQUPICAHLZ-UHFFFAOYSA-N	1	0	358.442	1.095	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1	ZINC000178034381	525372649	/nfs/dbraw/zinc/37/26/49/525372649.db2.gz	AXDWRFIIWJRKHS-BPHPCYGNSA-N	1	0	364.471	1.438	20	30		FDEDRO
C[NH+]=C(NCc1ccco1)NCc1cccnc1N1CCC(C(N)=O)CC1	ZINC000103712316	525373532	/nfs/dbraw/zinc/37/35/32/525373532.db2.gz	LWEXAQZDZNCCHF-UHFFFAOYSA-N	1	0	370.457	1.242	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000154019501	525394814	/nfs/dbraw/zinc/39/48/14/525394814.db2.gz	PRIRLIIIPYAGMA-KDURUIRLSA-N	1	0	350.551	1.901	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NCc1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000104190768	525399115	/nfs/dbraw/zinc/39/91/15/525399115.db2.gz	SDLIDGOMTQANQD-AWEZNQCLSA-N	1	0	368.503	1.300	20	30		FDEDRO
COc1ccc([C@H](CNC(=O)Cn2cnc(C#N)n2)[NH+]2CCCC2)cc1	ZINC000178335009	525413353	/nfs/dbraw/zinc/41/33/53/525413353.db2.gz	NSWWRVQPMGAHNA-INIZCTEOSA-N	1	0	354.414	1.112	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC1	ZINC000163491410	525416100	/nfs/dbraw/zinc/41/61/00/525416100.db2.gz	IAMGWWVKPDTZMV-OAHLLOKOSA-N	1	0	356.474	1.506	20	30		FDEDRO
Cc1ccc(-n2cnnn2)cc1NC(=O)N(CCC#N)CCC[NH+](C)C	ZINC000178367926	525418319	/nfs/dbraw/zinc/41/83/19/525418319.db2.gz	VAJRRBZFRYRGNT-UHFFFAOYSA-N	1	0	356.434	1.670	20	30		FDEDRO
C[C@H](C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)[NH+]1CCCCCC1	ZINC000163547670	525423134	/nfs/dbraw/zinc/42/31/34/525423134.db2.gz	IGXUARDAUDCQPP-JKSUJKDBSA-N	1	0	356.474	1.650	20	30		FDEDRO
C[C@@H]1CN(Cc2ccccc2CNC(=O)Cn2cnc(C#N)n2)C[C@H](C)O1	ZINC000178416471	525424238	/nfs/dbraw/zinc/42/42/38/525424238.db2.gz	DONBNHYEOAIWAE-GASCZTMLSA-N	1	0	368.441	1.075	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1	ZINC000178459520	525433586	/nfs/dbraw/zinc/43/35/86/525433586.db2.gz	UAIGJOJBDJCBIJ-INIZCTEOSA-N	1	0	358.442	1.374	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1	ZINC000127607080	525441489	/nfs/dbraw/zinc/44/14/89/525441489.db2.gz	CJCDPZTYIXUEFG-GDBMZVCRSA-N	1	0	365.499	1.706	20	30		FDEDRO
C#CCCOc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2NS(C)(=O)=O)cc1	ZINC000154291907	525484866	/nfs/dbraw/zinc/48/48/66/525484866.db2.gz	UWCQQNHINUEWSO-WMZOPIPTSA-N	1	0	350.484	1.896	20	30		FDEDRO
C[NH+](C)C1CCN(CCNS(=O)(=O)Cc2cc(C#N)ccc2F)CC1	ZINC000164240996	525488392	/nfs/dbraw/zinc/48/83/92/525488392.db2.gz	FYASGPSHIDGOTD-UHFFFAOYSA-N	1	0	368.478	1.143	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(N3CCCC3=O)cc2)c1C#N	ZINC000128148652	525508455	/nfs/dbraw/zinc/50/84/55/525508455.db2.gz	GYRGGQPWJKYBQD-UHFFFAOYSA-N	1	0	366.425	1.812	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1C#N	ZINC000128172782	525510936	/nfs/dbraw/zinc/51/09/36/525510936.db2.gz	LSVHPPIAXMMKNV-UHFFFAOYSA-N	1	0	358.358	1.602	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1	ZINC000179188621	525543286	/nfs/dbraw/zinc/54/32/86/525543286.db2.gz	GZIQMZVKTQLSAX-UHFFFAOYSA-N	1	0	355.442	1.729	20	30		FDEDRO
N#CC1(CS(=O)(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1	ZINC000165261483	525547162	/nfs/dbraw/zinc/54/71/62/525547162.db2.gz	REYYWUIVAHPYPX-UHFFFAOYSA-N	1	0	357.545	1.961	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1	ZINC000129016474	525603995	/nfs/dbraw/zinc/60/39/95/525603995.db2.gz	ZUYULFMUIFURSN-UHFFFAOYSA-N	1	0	371.416	1.679	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O	ZINC000129019886	525604008	/nfs/dbraw/zinc/60/40/08/525604008.db2.gz	FEJRWVMSPADMLG-IYBDPMFKSA-N	1	0	362.474	1.246	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1	ZINC000154733999	525622424	/nfs/dbraw/zinc/62/24/24/525622424.db2.gz	VJROVZAMFNPAMI-UHFFFAOYSA-N	1	0	360.458	1.918	20	30		FDEDRO
CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000154832058	525653507	/nfs/dbraw/zinc/65/35/07/525653507.db2.gz	QKQXZNHHDNBIEB-UHFFFAOYSA-N	1	0	350.422	1.440	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)oc(=O)n3C)CC1	ZINC000106348973	525698453	/nfs/dbraw/zinc/69/84/53/525698453.db2.gz	UDOWIYOHGGWVPO-UHFFFAOYSA-N	1	0	372.425	1.227	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N(C)C(C)=O)cc2)CC1	ZINC000106349074	525699035	/nfs/dbraw/zinc/69/90/35/525699035.db2.gz	XIJKXGRYBQKCMA-UHFFFAOYSA-N	1	0	372.469	1.765	20	30		FDEDRO
C[C@@H]1CN(C[C@H](O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)C[C@H](C)O1	ZINC000106386223	525708312	/nfs/dbraw/zinc/70/83/12/525708312.db2.gz	IXVGCFIMFOGDAA-ZIFCJYIRSA-N	1	0	373.497	1.872	20	30		FDEDRO
Cc1nn(C)c(C)c1-c1cc(C(=O)N(CCC#N)CCC[NH+](C)C)[nH]n1	ZINC000170814004	525721972	/nfs/dbraw/zinc/72/19/72/525721972.db2.gz	RATRUZGMCLXPJM-UHFFFAOYSA-N	1	0	357.462	1.735	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cccn2C)CC1	ZINC000180738533	525748390	/nfs/dbraw/zinc/74/83/90/525748390.db2.gz	MKTRKJQHECWQAY-RTBURBONSA-N	1	0	357.502	1.854	20	30		FDEDRO
COc1cccc(C(=O)NCCNC(=[NH2+])NCc2ccccc2OC)c1	ZINC000170910442	525764364	/nfs/dbraw/zinc/76/43/64/525764364.db2.gz	VUEVHTHXVBMSAW-UHFFFAOYSA-N	1	0	356.426	1.538	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCc2ccc(OC)c(F)c2)CC1	ZINC000170915029	525766965	/nfs/dbraw/zinc/76/69/65/525766965.db2.gz	QCXPPKOFPRTTJJ-UHFFFAOYSA-N	1	0	366.437	1.902	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1	ZINC000181018347	525789230	/nfs/dbraw/zinc/78/92/30/525789230.db2.gz	LBHGAZHSEWYDQO-ZDUSSCGKSA-N	1	0	352.460	1.007	20	30		FDEDRO
CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)cc1	ZINC000181020123	525791933	/nfs/dbraw/zinc/79/19/33/525791933.db2.gz	KWMDXQSHVMYISX-PXAZEXFGSA-N	1	0	364.471	1.054	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(N)=O	ZINC000130784043	525794229	/nfs/dbraw/zinc/79/42/29/525794229.db2.gz	LKDNQZKRHBZKFM-HRCADAONSA-N	1	0	372.469	1.964	20	30		FDEDRO
C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000171115625	525855483	/nfs/dbraw/zinc/85/54/83/525855483.db2.gz	JBKPOEWGNIFJLN-OWCLPIDISA-N	1	0	356.470	1.771	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)CC1	ZINC000107406849	525888044	/nfs/dbraw/zinc/88/80/44/525888044.db2.gz	AREOUUOQVPKGDF-GOSISDBHSA-N	1	0	369.469	1.125	20	30		FDEDRO
CN(C(=O)CON=C(N)CCN1CC[NH+](Cc2ccccc2)CC1)C1CC1	ZINC000108351963	525958287	/nfs/dbraw/zinc/95/82/87/525958287.db2.gz	PDQRHYHUNAWOTF-UHFFFAOYSA-N	1	0	373.501	1.104	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cn1	ZINC000171434180	525990292	/nfs/dbraw/zinc/99/02/92/525990292.db2.gz	SJVWTBNSEXQASL-QGZVFWFLSA-N	1	0	370.478	1.796	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N[C@H]3CC[N@H+](CC4CC4)C3)CC2)nc1	ZINC000108573090	525991750	/nfs/dbraw/zinc/99/17/50/525991750.db2.gz	IYBWRTPXSYUPRB-SFHVURJKSA-N	1	0	368.485	1.706	20	30		FDEDRO
C[NH+](C)CCNC(=O)C1CCN(C(=O)CSc2ccc(C#N)cc2)CC1	ZINC000171489188	526013768	/nfs/dbraw/zinc/01/37/68/526013768.db2.gz	FAUBBGITKIKTJY-UHFFFAOYSA-N	1	0	374.510	1.567	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](CC(N)=O)C2CCCCC2)cc1	ZINC000182033712	526030819	/nfs/dbraw/zinc/03/08/19/526030819.db2.gz	KHLUKPBODPMQPR-QGZVFWFLSA-N	1	0	363.483	1.746	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)CC1	ZINC000156012277	526033343	/nfs/dbraw/zinc/03/33/43/526033343.db2.gz	KXYCZPKXTTUHAL-PKOBYXMFSA-N	1	0	357.429	1.559	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000171706395	526087631	/nfs/dbraw/zinc/08/76/31/526087631.db2.gz	XJEDOJYCHIKDTC-HZPDHXFCSA-N	1	0	352.523	1.824	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC2CCN(C(=O)CC(C)C)CC2)CC1	ZINC000171730164	526098473	/nfs/dbraw/zinc/09/84/73/526098473.db2.gz	HKELUJFXXRKVIL-UHFFFAOYSA-N	1	0	350.507	1.973	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NC[C@](C)(O)c3ccco3)=[NH+]C[C@@H]2C1	ZINC000133987893	526113513	/nfs/dbraw/zinc/11/35/13/526113513.db2.gz	UKKGEOBKCQJNJN-ACJLOTCBSA-N	1	0	364.446	1.368	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](CC)Cc1ccc(C(=O)N(C)C)cc1	ZINC000156517236	526154262	/nfs/dbraw/zinc/15/42/62/526154262.db2.gz	FTZGGXNSYHRVAK-CQSZACIVSA-N	1	0	360.458	1.611	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000109751292	526172865	/nfs/dbraw/zinc/17/28/65/526172865.db2.gz	ZVAJENYVINKOJL-FQEVSTJZSA-N	1	0	369.513	1.989	20	30		FDEDRO
CSCC[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000182862566	535877707	/nfs/dbraw/zinc/87/77/07/535877707.db2.gz	YENWHKFWWPTLQK-CQSZACIVSA-N	1	0	352.529	1.752	20	30		FDEDRO
CSCC[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000182862546	535878138	/nfs/dbraw/zinc/87/81/38/535878138.db2.gz	YENWHKFWWPTLQK-AWEZNQCLSA-N	1	0	352.529	1.752	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc(=O)n(C)c1)C(C)C	ZINC000182962438	535895241	/nfs/dbraw/zinc/89/52/41/535895241.db2.gz	OEHYTPHTUQYUCY-INIZCTEOSA-N	1	0	360.458	1.139	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@@H]1CCSC1	ZINC000183065667	535913043	/nfs/dbraw/zinc/91/30/43/535913043.db2.gz	YSUVUFJDQUBHTF-CABCVRRESA-N	1	0	364.540	1.894	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000183652953	536023408	/nfs/dbraw/zinc/02/34/08/536023408.db2.gz	LZKNECHHRMLKRB-GFCCVEGCSA-N	1	0	356.879	1.126	20	30		FDEDRO
CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000184578518	536166944	/nfs/dbraw/zinc/16/69/44/536166944.db2.gz	BCOMUDCQLABGQE-CQSZACIVSA-N	1	0	353.430	1.944	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3OCC)CC1	ZINC000185386366	536207280	/nfs/dbraw/zinc/20/72/80/536207280.db2.gz	RKQGBAWWVIHCGL-SJORKVTESA-N	1	0	351.491	1.598	20	30		FDEDRO
C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)c2ccccc2C#N)CC1	ZINC000185433128	536208453	/nfs/dbraw/zinc/20/84/53/536208453.db2.gz	VAQRMNQLJFJQPF-UHFFFAOYSA-N	1	0	350.488	1.253	20	30		FDEDRO
CC(C)[NH+]=C(NCC(=O)N(C)C)N(C)Cc1cc(Br)cn1C	ZINC000185538996	536211588	/nfs/dbraw/zinc/21/15/88/536211588.db2.gz	MCXWCKQMNWEGDE-UHFFFAOYSA-N	1	0	372.311	1.662	20	30		FDEDRO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+]C(C)(C)CC(N)=O)c1C#N	ZINC000186244235	536230045	/nfs/dbraw/zinc/23/00/45/536230045.db2.gz	YHOGHEZRWCMWEJ-UHFFFAOYSA-N	1	0	371.441	1.800	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NCC(=O)N[C@@](C)(C#N)C2CC2)[C@H](C)C1	ZINC000187018476	536252673	/nfs/dbraw/zinc/25/26/73/536252673.db2.gz	HGIGHLQTVVBQKK-AYBZRNKSSA-N	1	0	350.507	1.521	20	30		FDEDRO
CCN(C)C(=O)[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000187991394	536279810	/nfs/dbraw/zinc/27/98/10/536279810.db2.gz	XMDWPCMSQPRWGF-HNNXBMFYSA-N	1	0	359.474	1.498	20	30		FDEDRO
C[NH+]=C(NC[C@@H](O)c1ccc(Cl)cc1)N[C@H]1CCc2nc(C)nn2C1	ZINC000262796691	536903301	/nfs/dbraw/zinc/90/33/01/536903301.db2.gz	PUMMNXUCVFQMKY-LSDHHAIUSA-N	1	0	362.865	1.453	20	30		FDEDRO
C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000262817738	536909993	/nfs/dbraw/zinc/90/99/93/536909993.db2.gz	ZVPWFKHHCPVZON-ZANVPECISA-N	1	0	358.261	1.597	20	30		FDEDRO
CC[NH+]=C(NCc1ccc2c(c1)OCO2)NC[C@@H]1CCc2nnc(C)n2C1	ZINC000262821612	536910983	/nfs/dbraw/zinc/91/09/83/536910983.db2.gz	XGGQXXYXGUTURY-HNNXBMFYSA-N	1	0	370.457	1.633	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)C1	ZINC000266705241	536923717	/nfs/dbraw/zinc/92/37/17/536923717.db2.gz	XHWGFOWXDCJHLW-HNNXBMFYSA-N	1	0	374.441	1.121	20	30		FDEDRO
CC(C)CCOCCNC(=O)CON=C(N)c1ccc(C[NH+](C)C)cc1	ZINC000267007579	536948302	/nfs/dbraw/zinc/94/83/02/536948302.db2.gz	KRMHWOJYWSCFLY-UHFFFAOYSA-N	1	0	364.490	1.564	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)Cc2cccc(C#N)c2)CC1=O	ZINC000246525820	536973237	/nfs/dbraw/zinc/97/32/37/536973237.db2.gz	WEWVQHWOFKZESP-RBUKOAKNSA-N	1	0	368.481	1.849	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2ccc(C#N)cc2Cl)CC1	ZINC000189118999	537000859	/nfs/dbraw/zinc/00/08/59/537000859.db2.gz	MFODQLKSRHGEML-CYBMUJFWSA-N	1	0	370.906	1.516	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccnn1C1CC[NH+](CC)CC1	ZINC000189132487	537003120	/nfs/dbraw/zinc/00/31/20/537003120.db2.gz	SSVOUZSRYOVQQP-CQSZACIVSA-N	1	0	360.462	1.487	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@H]4OCCC[C@H]4C3)CC2)o1	ZINC000246793587	537028535	/nfs/dbraw/zinc/02/85/35/537028535.db2.gz	RILIJIPEOLBQJG-DOTOQJQBSA-N	1	0	373.457	1.004	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1cccc(OCC#N)c1	ZINC000263691752	537067579	/nfs/dbraw/zinc/06/75/79/537067579.db2.gz	MVXFOIMGMMVBFA-KRWDZBQOSA-N	1	0	373.457	1.653	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCc2ccc(C#N)cc2F)CC1=O	ZINC000247066091	537076730	/nfs/dbraw/zinc/07/67/30/537076730.db2.gz	GGKOVEIGTNEHQG-DLBZAZTESA-N	1	0	372.444	1.646	20	30		FDEDRO
C=CCNC(=O)NC(=O)CNC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C	ZINC000189956410	537120842	/nfs/dbraw/zinc/12/08/42/537120842.db2.gz	CUSFYTJTQOHYQC-HOTGVXAUSA-N	1	0	358.486	1.744	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C[C@@H](NC(N)=O)c1cccs1	ZINC000264299640	537140888	/nfs/dbraw/zinc/14/08/88/537140888.db2.gz	YPAPRGYPVUUBMQ-CYBMUJFWSA-N	1	0	351.476	1.542	20	30		FDEDRO
C=CCCC[N@@H+](C)CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000265491368	537153236	/nfs/dbraw/zinc/15/32/36/537153236.db2.gz	CKBBRKSLHWFOGW-UHFFFAOYSA-N	1	0	353.488	1.281	20	30		FDEDRO
CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000190265930	537159373	/nfs/dbraw/zinc/15/93/73/537159373.db2.gz	AGMLTXBBUDYSDC-GOSISDBHSA-N	1	0	371.485	1.641	20	30		FDEDRO
C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000190269326	537159809	/nfs/dbraw/zinc/15/98/09/537159809.db2.gz	YHVVWTKWUJEREL-IAGOWNOFSA-N	1	0	355.442	1.005	20	30		FDEDRO
CCS(=O)(=O)N1CC(C[NH2+]Cc2cccc(OCCCC#N)c2)C1	ZINC000190289801	537161975	/nfs/dbraw/zinc/16/19/75/537161975.db2.gz	GIZURVBOVNQZNN-UHFFFAOYSA-N	1	0	351.472	1.740	20	30		FDEDRO
C=CC[C@@H](CO)NC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1	ZINC000248556186	537191587	/nfs/dbraw/zinc/19/15/87/537191587.db2.gz	IEDRBJHDNJZLBS-RBUKOAKNSA-N	1	0	360.502	1.601	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000192344714	537223396	/nfs/dbraw/zinc/22/33/96/537223396.db2.gz	PZIQKNNGZNPITO-ZWKOTPCHSA-N	1	0	369.469	1.300	20	30		FDEDRO
C[C@@H](O)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H](C)CO	ZINC000249001419	537224685	/nfs/dbraw/zinc/22/46/85/537224685.db2.gz	YUHDYCCFXBBARB-CHWSQXEVSA-N	1	0	365.499	1.891	20	30		FDEDRO
C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000193438227	537247735	/nfs/dbraw/zinc/24/77/35/537247735.db2.gz	ACJPKCJSMNWJNH-HOTGVXAUSA-N	1	0	371.485	1.996	20	30		FDEDRO
Cc1cc(COCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)on1	ZINC000193638326	537253359	/nfs/dbraw/zinc/25/33/59/537253359.db2.gz	BUGPBZRGXWFDOW-UHFFFAOYSA-N	1	0	356.426	1.962	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCOc2ccccc21)N1CC[C@@H](CN2CCOCC2)C1	ZINC000262775440	537254372	/nfs/dbraw/zinc/25/43/72/537254372.db2.gz	JDECMTLEDHTLBJ-ZWKOTPCHSA-N	1	0	372.513	1.782	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCC[NH+]1CCCCC1	ZINC000193710145	537254824	/nfs/dbraw/zinc/25/48/24/537254824.db2.gz	ZCJMFXIKUVXZGY-UHFFFAOYSA-N	1	0	358.442	1.888	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)cc1	ZINC000194238937	537260400	/nfs/dbraw/zinc/26/04/00/537260400.db2.gz	JYZWBKVYOUFQMA-UHFFFAOYSA-N	1	0	358.442	1.094	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2cccc(OCC#N)c2)CCCO1	ZINC000278352337	537307201	/nfs/dbraw/zinc/30/72/01/537307201.db2.gz	KXYPRQPMKNWXEB-OAHLLOKOSA-N	1	0	374.441	1.145	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C	ZINC000282837838	537339935	/nfs/dbraw/zinc/33/99/35/537339935.db2.gz	MXGHCWXHDZPBKA-QGZVFWFLSA-N	1	0	368.503	1.294	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N(CCC[NH+](C)C)Cc1ccccc1	ZINC000282881879	537343714	/nfs/dbraw/zinc/34/37/14/537343714.db2.gz	CTVFJNAVMXBSDU-MRXNPFEDSA-N	1	0	352.504	1.919	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCSC[C@@H]2C2CCC2)CC1	ZINC000333606357	537349940	/nfs/dbraw/zinc/34/99/40/537349940.db2.gz	XJGWPQJBLRLBIB-QZTJIDSGSA-N	1	0	364.559	1.896	20	30		FDEDRO
CCOC(=O)c1ccn(-c2cccc(CNC(=[NH2+])N[C@H](C)COC)c2)n1	ZINC000279965824	537360843	/nfs/dbraw/zinc/36/08/43/537360843.db2.gz	CPLLNEBRYWODEP-CYBMUJFWSA-N	1	0	359.430	1.488	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NC1CC[NH+](C2CC2)CC1	ZINC000283283228	537365156	/nfs/dbraw/zinc/36/51/56/537365156.db2.gz	BQZASAMXYJXCHE-UHFFFAOYSA-N	1	0	366.465	1.816	20	30		FDEDRO
CN(C)c1cccnc1CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000290631030	537378548	/nfs/dbraw/zinc/37/85/48/537378548.db2.gz	LFXHQOPCWHTAGZ-AWEZNQCLSA-N	1	0	374.489	1.528	20	30		FDEDRO
CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1cc(C)n(CCC#N)n1	ZINC000276272346	537381632	/nfs/dbraw/zinc/38/16/32/537381632.db2.gz	GRSZPMIHICPZHS-UHFFFAOYSA-N	1	0	362.478	1.624	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1	ZINC000283591504	537383192	/nfs/dbraw/zinc/38/31/92/537383192.db2.gz	VRVXWNDZQYIEFA-HNNXBMFYSA-N	1	0	365.499	1.710	20	30		FDEDRO
COC(=O)c1cn(CC[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)nn1	ZINC000283907250	537391449	/nfs/dbraw/zinc/39/14/49/537391449.db2.gz	ICWLPTQLXXGAHM-UHFFFAOYSA-N	1	0	373.413	1.546	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(C[C@@H](C(CC)CC)[NH+]2CCOCC2)C1=O	ZINC000348504232	537391546	/nfs/dbraw/zinc/39/15/46/537391546.db2.gz	YGOOCGVGMBEEMZ-HOTGVXAUSA-N	1	0	353.463	1.246	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)N(C)c2ccccc2)CC1	ZINC000283903932	537391930	/nfs/dbraw/zinc/39/19/30/537391930.db2.gz	DGGDKXYKUSHDHC-QGZVFWFLSA-N	1	0	372.513	1.784	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N(C)Cc1cnccn1)C(C)C	ZINC000283970120	537399316	/nfs/dbraw/zinc/39/93/16/537399316.db2.gz	IPFVFMUMFYVNIZ-QGZVFWFLSA-N	1	0	359.474	1.250	20	30		FDEDRO
C[C@@H](C#N)CN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1	ZINC000298996866	537401373	/nfs/dbraw/zinc/40/13/73/537401373.db2.gz	GYJZBYYEUVEBPK-AWEZNQCLSA-N	1	0	364.877	1.848	20	30		FDEDRO
C[NH+](C)C1CCN(CCNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1	ZINC000280357729	537402142	/nfs/dbraw/zinc/40/21/42/537402142.db2.gz	KZDCMKJINFRMCY-SFHVURJKSA-N	1	0	353.470	1.383	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@H](C)C1CCOCC1)C(C)C	ZINC000284253892	537404744	/nfs/dbraw/zinc/40/47/44/537404744.db2.gz	ZLTQSOWNADBSTG-SJLPKXTDSA-N	1	0	365.518	1.733	20	30		FDEDRO
COCc1nc(CNC(=[NH2+])NCc2ccc(OC)c(OC)c2)cs1	ZINC000290758999	537405450	/nfs/dbraw/zinc/40/54/50/537405450.db2.gz	ZCVVSPRLPXAHKX-UHFFFAOYSA-N	1	0	350.444	1.911	20	30		FDEDRO
CN(C(=[NH2+])NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)C1CC1	ZINC000273390171	537444521	/nfs/dbraw/zinc/44/45/21/537444521.db2.gz	ZXOQMXOJTNJWRB-UHFFFAOYSA-N	1	0	368.478	1.778	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(CC)C[C@H]2C)cc1	ZINC000287830122	537446073	/nfs/dbraw/zinc/44/60/73/537446073.db2.gz	LGPPBUGXHAYACM-CQSZACIVSA-N	1	0	358.442	1.094	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)CC1	ZINC000299143580	537454946	/nfs/dbraw/zinc/45/49/46/537454946.db2.gz	JPTFECHOCMVOHM-UHFFFAOYSA-N	1	0	373.884	1.970	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1	ZINC000293445593	537464698	/nfs/dbraw/zinc/46/46/98/537464698.db2.gz	SBBIDEZLIMMGAB-UHFFFAOYSA-N	1	0	372.469	1.225	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(C(=O)OCCCC)cc1	ZINC000293453810	537467561	/nfs/dbraw/zinc/46/75/61/537467561.db2.gz	SROOHOJTIYAMCI-UHFFFAOYSA-N	1	0	373.453	1.653	20	30		FDEDRO
CNC(=O)[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccccc1	ZINC000271710881	537478347	/nfs/dbraw/zinc/47/83/47/537478347.db2.gz	VULCFESRCOIWQM-LIRRHRJNSA-N	1	0	350.422	1.812	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccccc1OCCCOC	ZINC000293487008	537484229	/nfs/dbraw/zinc/48/42/29/537484229.db2.gz	WANKQUSKYMQLRP-UHFFFAOYSA-N	1	0	361.442	1.112	20	30		FDEDRO
CC(C)[C@@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)N1CC[NH+](C)CC1	ZINC000293518175	537497993	/nfs/dbraw/zinc/49/79/93/537497993.db2.gz	SRRSQRXZQOHXPP-QGZVFWFLSA-N	1	0	368.478	1.248	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1	ZINC000284780320	537534528	/nfs/dbraw/zinc/53/45/28/537534528.db2.gz	SOACVFXCWLVMIY-UHFFFAOYSA-N	1	0	373.497	1.998	20	30		FDEDRO
C=CCc1cc(C[NH2+][C@H]2CCN(c3ccn(C)n3)C2=O)cc(OC)c1O	ZINC000360092830	537578859	/nfs/dbraw/zinc/57/88/59/537578859.db2.gz	LWRYMXQSOKURPR-HNNXBMFYSA-N	1	0	356.426	1.758	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000275850765	537584740	/nfs/dbraw/zinc/58/47/40/537584740.db2.gz	HDCLLJCGTFTSPN-ZWKOTPCHSA-N	1	0	370.453	1.299	20	30		FDEDRO
C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cnc(C(F)(F)F)c(C#N)c3)[C@H]2C1	ZINC000293793320	537591175	/nfs/dbraw/zinc/59/11/75/537591175.db2.gz	CQIBLMSTAFZLTP-QWHCGFSZSA-N	1	0	354.332	1.517	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])N[C@@H]2C[C@H](OCC)C23CCC3)CC1	ZINC000304791579	537598304	/nfs/dbraw/zinc/59/83/04/537598304.db2.gz	KSKKUQYJKOTRNW-CABCVRRESA-N	1	0	352.479	1.859	20	30		FDEDRO
CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1	ZINC000236929163	537604488	/nfs/dbraw/zinc/60/44/88/537604488.db2.gz	VOBWYFBHVBCJPF-DZXLRVMOSA-N	1	0	366.487	1.811	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NC[C@H](N2CCOCC2)C(F)(F)F)cc1	ZINC000285072542	537604517	/nfs/dbraw/zinc/60/45/17/537604517.db2.gz	MQKSVEVMHGNQQE-HNNXBMFYSA-N	1	0	374.407	1.405	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CCCOc1ccc2c(c1)CCC(=O)N2	ZINC000293889768	537617884	/nfs/dbraw/zinc/61/78/84/537617884.db2.gz	DHCVEDAQQXIUKX-UHFFFAOYSA-N	1	0	357.454	1.802	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1csc(CNC(=O)OC(C)(C)C)n1	ZINC000293894810	537619895	/nfs/dbraw/zinc/61/98/95/537619895.db2.gz	DTASRYQLLAPOSF-UHFFFAOYSA-N	1	0	366.487	1.853	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1	ZINC000293979507	537633833	/nfs/dbraw/zinc/63/38/33/537633833.db2.gz	MUCAAIBZGVSXBU-KRWDZBQOSA-N	1	0	359.445	1.749	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1	ZINC000329028257	537634225	/nfs/dbraw/zinc/63/42/25/537634225.db2.gz	KMICWWDRERFJGO-XIRDDKMYSA-N	1	0	364.490	1.096	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccc4c(c3)OCCO4)CC2)C1=O	ZINC000329163193	537634984	/nfs/dbraw/zinc/63/49/84/537634984.db2.gz	GIHNRYQRWOTAQZ-HNNXBMFYSA-N	1	0	359.426	1.458	20	30		FDEDRO
CC(C)Nc1ncccc1C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1	ZINC000329177041	537635797	/nfs/dbraw/zinc/63/57/97/537635797.db2.gz	MSYFTPNDHOYTAH-INIZCTEOSA-N	1	0	359.474	1.902	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1F	ZINC000237721324	537638226	/nfs/dbraw/zinc/63/82/26/537638226.db2.gz	BIAONYFJRNRSLX-PBWFPOADSA-N	1	0	367.446	1.303	20	30		FDEDRO
CN(CC[NH+]1CCCC1)C(=O)NCc1cnc(N2CCOCC2)c(F)c1	ZINC000329596470	537639364	/nfs/dbraw/zinc/63/93/64/537639364.db2.gz	CBZGADSXVOKCHA-UHFFFAOYSA-N	1	0	365.453	1.499	20	30		FDEDRO
CC(C)CNC(=O)N1CCC[C@H](C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)C1	ZINC000329596325	537639452	/nfs/dbraw/zinc/63/94/52/537639452.db2.gz	VTMXEHVVVUMNJR-IRXDYDNUSA-N	1	0	350.507	1.821	20	30		FDEDRO
CN(CC(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCS(=O)(=O)C1	ZINC000329915171	537645143	/nfs/dbraw/zinc/64/51/43/537645143.db2.gz	CXERJPVQNIKTME-QGZVFWFLSA-N	1	0	371.547	1.859	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccc(C(F)(F)F)nn2)C1	ZINC000329956842	537647901	/nfs/dbraw/zinc/64/79/01/537647901.db2.gz	PUMRPMQPTBHBCU-LLVKDONJSA-N	1	0	361.368	2.178	20	30		FDEDRO
CN(C(=O)C[NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O)C1(C#N)CCCCC1	ZINC000331194329	537665225	/nfs/dbraw/zinc/66/52/25/537665225.db2.gz	RKPHVXCJVKJVDW-GJZGRUSLSA-N	1	0	370.519	1.121	20	30		FDEDRO
CO[C@H]1COCC[C@H]1CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000294408213	537691985	/nfs/dbraw/zinc/69/19/85/537691985.db2.gz	JPQCHNGOBPJCRC-OALUTQOASA-N	1	0	359.470	1.890	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@H](CS(C)(=O)=O)C1	ZINC000292121882	537710312	/nfs/dbraw/zinc/71/03/12/537710312.db2.gz	GPSPSIIUIGFRQG-CVEARBPZSA-N	1	0	363.483	1.688	20	30		FDEDRO
Cc1oc(NC(=O)[C@H](C)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(C#N)c1C	ZINC000375794058	537768156	/nfs/dbraw/zinc/76/81/56/537768156.db2.gz	OKRWSTQPYYHOGM-XKQJLSEDSA-N	1	0	360.458	1.626	20	30		FDEDRO
CC(C)[N@H+](C)CCNS(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416471951	537857538	/nfs/dbraw/zinc/85/75/38/537857538.db2.gz	LXEPHJNQWISMRC-UHFFFAOYSA-N	1	0	360.277	1.939	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N1CCC[N@H+](Cc2ccccc2)CC1	ZINC000409549677	537860775	/nfs/dbraw/zinc/86/07/75/537860775.db2.gz	YSFAXXAPMLHDSS-UHFFFAOYSA-N	1	0	350.488	1.675	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cnn(-c3ncccc3F)c2)CC1	ZINC000366932742	537894151	/nfs/dbraw/zinc/89/41/51/537894151.db2.gz	LVSFKJTVNVVVMT-UHFFFAOYSA-N	1	0	372.404	1.112	20	30		FDEDRO
C=C(C)CS(=O)(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1	ZINC000416626995	537911846	/nfs/dbraw/zinc/91/18/46/537911846.db2.gz	VHMKJYCOSANHFW-UHFFFAOYSA-N	1	0	365.499	1.379	20	30		FDEDRO
N#Cc1cc(NC(=O)N2CCO[C@@H](C[NH3+])C2)ccc1OCC(F)(F)F	ZINC000414831255	537923567	/nfs/dbraw/zinc/92/35/67/537923567.db2.gz	CECOZVVPLJEBAU-LBPRGKRZSA-N	1	0	358.320	1.691	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[NH2+][C@@H](CO)[C@@H]2CCCOC2)cc1Cl	ZINC000411992812	537927204	/nfs/dbraw/zinc/92/72/04/537927204.db2.gz	KMFGSDGSJUYWNO-CJNGLKHVSA-N	1	0	351.834	1.917	20	30		FDEDRO
C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000419116170	537945698	/nfs/dbraw/zinc/94/56/98/537945698.db2.gz	OPNYENHAEBZDOQ-IUODEOHRSA-N	1	0	367.371	1.430	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000367135157	537948252	/nfs/dbraw/zinc/94/82/52/537948252.db2.gz	IACDEHHJWQTUJY-DOTOQJQBSA-N	1	0	350.488	1.434	20	30		FDEDRO
COC[C@@H](C)OC[C@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000367583012	537963410	/nfs/dbraw/zinc/96/34/10/537963410.db2.gz	AMXMWFBNHNSWCS-GDBMZVCRSA-N	1	0	366.433	1.953	20	30		FDEDRO
C[C@@H](NC(=O)c1ncc(C#N)cc1Cl)C(=O)NCC[NH+]1CCCCC1	ZINC000412324437	537968332	/nfs/dbraw/zinc/96/83/32/537968332.db2.gz	UUCYVFJONGZPTG-GFCCVEGCSA-N	1	0	363.849	1.327	20	30		FDEDRO
C#CCCCS(=O)(=O)NC[C@@H]1CSCCN1Cc1ccccc1	ZINC000367878803	537969858	/nfs/dbraw/zinc/96/98/58/537969858.db2.gz	OBSICBYHYRFAHT-QGZVFWFLSA-N	1	0	352.525	1.937	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CCN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)nc1	ZINC000377563043	537977513	/nfs/dbraw/zinc/97/75/13/537977513.db2.gz	MKPOCUUDVCAINU-IXDOHACOSA-N	1	0	360.483	1.143	20	30		FDEDRO
C=C(C)CN(C)C(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000410814408	537989251	/nfs/dbraw/zinc/98/92/51/537989251.db2.gz	ROMVDCHPKOWXAA-HXUWFJFHSA-N	1	0	359.470	1.116	20	30		FDEDRO
COc1cccc([C@@H](CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)[NH+](C)C)c1	ZINC000369219883	538005932	/nfs/dbraw/zinc/00/59/32/538005932.db2.gz	QHBQOIOSINJYNG-PKOBYXMFSA-N	1	0	371.485	1.680	20	30		FDEDRO
Cc1oc(NC(=O)CN2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c(C#N)c1C	ZINC000377833259	538032981	/nfs/dbraw/zinc/03/29/81/538032981.db2.gz	XWWQOAMPJANJKN-KRWDZBQOSA-N	1	0	373.501	1.807	20	30		FDEDRO
C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000415418818	538036497	/nfs/dbraw/zinc/03/64/97/538036497.db2.gz	ZAWIJESOTATVQG-SECBINFHSA-N	1	0	353.220	1.231	20	30		FDEDRO
C=CCn1c(-c2ncccn2)nnc1N1CC[NH+](CC2CCOCC2)CC1	ZINC000417461181	538041028	/nfs/dbraw/zinc/04/10/28/538041028.db2.gz	SLMSIDSUCMSHAA-UHFFFAOYSA-N	1	0	369.473	1.470	20	30		FDEDRO
COc1cc(OC)c2ncc(C#N)c(N3C[C@H]4OCC[N@H+](C)[C@H]4C3)c2c1	ZINC000377961367	538051598	/nfs/dbraw/zinc/05/15/98/538051598.db2.gz	BYNNALHZMPQRRO-DOTOQJQBSA-N	1	0	354.410	1.643	20	30		FDEDRO
C[NH2+]C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1	ZINC000417581634	538054643	/nfs/dbraw/zinc/05/46/43/538054643.db2.gz	TYVMEDIYHKUWHA-JKSUJKDBSA-N	1	0	359.449	1.917	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@H](C(=O)N(C)C)C1)C(C)C	ZINC000413118420	538057054	/nfs/dbraw/zinc/05/70/54/538057054.db2.gz	UGIKLDHIXRSZOT-IRXDYDNUSA-N	1	0	350.507	1.805	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1	ZINC000378308216	538084367	/nfs/dbraw/zinc/08/43/67/538084367.db2.gz	FTTQHZOGSDTIFX-SFHVURJKSA-N	1	0	360.458	1.609	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[N@@H+](CCC)CC2)cc1	ZINC000373044597	538086022	/nfs/dbraw/zinc/08/60/22/538086022.db2.gz	UYGWBXRMZHHCSW-UHFFFAOYSA-N	1	0	363.483	1.156	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1	ZINC000419867840	538124062	/nfs/dbraw/zinc/12/40/62/538124062.db2.gz	BCXUGOQLGUMZJF-YJBOKZPZSA-N	1	0	356.470	1.801	20	30		FDEDRO
C[N@H+](CCO)C1CCN(C(=O)c2cccc(C#N)c2Br)CC1	ZINC000450406435	538125066	/nfs/dbraw/zinc/12/50/66/538125066.db2.gz	HITRXUZYSOBADR-UHFFFAOYSA-N	1	0	366.259	1.849	20	30		FDEDRO
CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)N=c1ccn(CCC#N)[nH]1	ZINC000432291917	538134516	/nfs/dbraw/zinc/13/45/16/538134516.db2.gz	OYCSJUOAKVZRNA-WMZOPIPTSA-N	1	0	367.457	2.348	20	30		FDEDRO
CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1	ZINC000419946023	538159265	/nfs/dbraw/zinc/15/92/65/538159265.db2.gz	AKKFNWUXKKFAOD-GOSISDBHSA-N	1	0	354.454	1.664	20	30		FDEDRO
C[NH+](C)CC[C@](C)(O)CNC(=O)c1cccc(C#N)c1Br	ZINC000419970444	538169082	/nfs/dbraw/zinc/16/90/82/538169082.db2.gz	BYEKJROKUFHIHZ-HNNXBMFYSA-N	1	0	354.248	1.753	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)CCCc2cccnc2)CC1	ZINC000422292612	538215791	/nfs/dbraw/zinc/21/57/91/538215791.db2.gz	HKOWXEUDSBJHBB-MRXNPFEDSA-N	1	0	358.486	1.676	20	30		FDEDRO
Cc1ccc(OCC(=O)N2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)cc1	ZINC000424110737	538235237	/nfs/dbraw/zinc/23/52/37/538235237.db2.gz	DNEASFWUDJKRGN-KRWDZBQOSA-N	1	0	358.442	1.066	20	30		FDEDRO
COc1ccc(NC(=O)Cn2cc(NC(=O)[C@H]([NH3+])CCCC#N)cn2)cc1	ZINC000424114053	538237248	/nfs/dbraw/zinc/23/72/48/538237248.db2.gz	POELJWARJHWGIW-MRXNPFEDSA-N	1	0	370.413	1.490	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1	ZINC000424113404	538237443	/nfs/dbraw/zinc/23/74/43/538237443.db2.gz	NAUXQUUKCCCLBT-OAHLLOKOSA-N	1	0	366.824	1.785	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNC(=O)NCCOc2ccc(C#N)cc2)CCCO1	ZINC000433399178	538238150	/nfs/dbraw/zinc/23/81/50/538238150.db2.gz	NSBXHMIPDQQKSM-MRXNPFEDSA-N	1	0	360.458	1.737	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2	ZINC000424119094	538240027	/nfs/dbraw/zinc/24/00/27/538240027.db2.gz	FCMMJXATFAAPEV-IAGOWNOFSA-N	1	0	370.453	1.962	20	30		FDEDRO
CCN(CC)Cc1nc(C2(NC(=O)[C@H]([NH3+])CCCC#N)CCCC2)no1	ZINC000424153272	538247365	/nfs/dbraw/zinc/24/73/65/538247365.db2.gz	JXLLKTVOLSRNLK-CQSZACIVSA-N	1	0	362.478	1.818	20	30		FDEDRO
C[NH+](C)Cc1ccc(S(=O)(=O)NCC2CCN(CC#N)CC2)cc1	ZINC000433866457	538280877	/nfs/dbraw/zinc/28/08/77/538280877.db2.gz	VXMGQYILWXUXCB-UHFFFAOYSA-N	1	0	350.488	1.262	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCC[C@H]2CC[NH2+]C2)cc1Br	ZINC000420417109	538290590	/nfs/dbraw/zinc/29/05/90/538290590.db2.gz	KLFHSSGWDNLHAQ-SNVBAGLBSA-N	1	0	358.261	1.599	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C	ZINC000451676600	538300447	/nfs/dbraw/zinc/30/04/47/538300447.db2.gz	STYOYSQQLUDXHM-SJORKVTESA-N	1	0	359.470	1.990	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2CCCO[C@@H](C[NH3+])C2)ccc1C(F)(F)F	ZINC000420469130	538300933	/nfs/dbraw/zinc/30/09/33/538300933.db2.gz	IDEHLZMFZAJIDT-NSHDSACASA-N	1	0	363.361	1.315	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N(CC)C[C@@H]1COc2ccccc2O1	ZINC000451680723	538301860	/nfs/dbraw/zinc/30/18/60/538301860.db2.gz	MPGWSPLNDPAMDA-ZACQAIPSSA-N	1	0	360.454	1.998	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NCc1cccc(C(=O)NC2CC2)c1	ZINC000451679841	538302143	/nfs/dbraw/zinc/30/21/43/538302143.db2.gz	ZUMXWGQEPRDOCC-MSOLQXFVSA-N	1	0	357.454	1.518	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H]2C(=O)NCC[C@H]2C)cc1	ZINC000441340871	538323369	/nfs/dbraw/zinc/32/33/69/538323369.db2.gz	RSWHBRUBCWRVLC-KDOFPFPSSA-N	1	0	358.442	1.446	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NCC[NH+]2CCCC2)cc1C(F)(F)F	ZINC000441993752	538345218	/nfs/dbraw/zinc/34/52/18/538345218.db2.gz	UENWULHVKGKCQV-UHFFFAOYSA-N	1	0	354.332	1.728	20	30		FDEDRO
N#Cc1cccc(C2(C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)CC2)c1	ZINC000435026958	538377615	/nfs/dbraw/zinc/37/76/15/538377615.db2.gz	OEFAOWPADAKWHY-INIZCTEOSA-N	1	0	354.454	1.293	20	30		FDEDRO
C=CCC[C@@H](CO)NC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1	ZINC000457728354	538512220	/nfs/dbraw/zinc/51/22/20/538512220.db2.gz	YFDPIYCCBQMDPG-VQTJNVASSA-N	1	0	374.529	1.992	20	30		FDEDRO
C=CC[C@H](CC)NC(=O)N1CCN([C@H](C)C(=O)NCCCOC)CC1	ZINC000466406395	538538476	/nfs/dbraw/zinc/53/84/76/538538476.db2.gz	LLZXRIOIWVKCJM-CVEARBPZSA-N	1	0	354.495	1.210	20	30		FDEDRO
CC(C)(C#N)CNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000494571538	538564088	/nfs/dbraw/zinc/56/40/88/538564088.db2.gz	TWHMVZJNFAAZMG-UHFFFAOYSA-N	1	0	359.478	1.228	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](NC(=O)NC)C2)c(OC)c1	ZINC000466925920	538575024	/nfs/dbraw/zinc/57/50/24/538575024.db2.gz	QAPWCMBYCQTOJY-JKSUJKDBSA-N	1	0	363.458	1.167	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)C1	ZINC000466980858	538586481	/nfs/dbraw/zinc/58/64/81/538586481.db2.gz	KOZLWDZFGYLDNJ-GOSISDBHSA-N	1	0	367.453	1.831	20	30		FDEDRO
C=CCCCNC(=O)N1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1	ZINC000454867404	538620205	/nfs/dbraw/zinc/62/02/05/538620205.db2.gz	CVPYQYQPUQOMCD-SFHVURJKSA-N	1	0	350.507	1.928	20	30		FDEDRO
C[C@@]1(CO)CCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000472611317	538669901	/nfs/dbraw/zinc/66/99/01/538669901.db2.gz	GOEDASREVVRPLG-APWZRJJASA-N	1	0	353.426	1.823	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000487781137	538680838	/nfs/dbraw/zinc/68/08/38/538680838.db2.gz	JGUKUDSASOUXFZ-HZPDHXFCSA-N	1	0	351.491	1.465	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1	ZINC000501624267	538686363	/nfs/dbraw/zinc/68/63/63/538686363.db2.gz	MTQSKORNICICAD-LJQANCHMSA-N	1	0	368.481	1.897	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)n1cnc(C#N)n1	ZINC000464060502	538692924	/nfs/dbraw/zinc/69/29/24/538692924.db2.gz	VPRLJBGXDLYECE-OAHLLOKOSA-N	1	0	363.425	1.385	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)cc(N(C)C)c2)CCN1C1CC[NH+](C)CC1	ZINC000496735325	538716057	/nfs/dbraw/zinc/71/60/57/538716057.db2.gz	FSILZTXNRIPLFH-MRXNPFEDSA-N	1	0	369.513	1.865	20	30		FDEDRO
CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000502163971	538727096	/nfs/dbraw/zinc/72/70/96/538727096.db2.gz	DVJPCQYCWKOPOX-CYBMUJFWSA-N	1	0	371.441	1.443	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ncc(C#N)cc2Cl)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000497474424	538759924	/nfs/dbraw/zinc/75/99/24/538759924.db2.gz	OSBFJOFMGOLLGC-CJNGLKHVSA-N	1	0	361.877	1.705	20	30		FDEDRO
CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1	ZINC000473687187	538790706	/nfs/dbraw/zinc/79/07/06/538790706.db2.gz	UGEZQCPJCCBWPY-SFHVURJKSA-N	1	0	354.454	1.603	20	30		FDEDRO
CSc1nc(C2CC2)cc(C(=O)NCC2(O)CC[NH+](C)CC2)c1C#N	ZINC000474987990	538851436	/nfs/dbraw/zinc/85/14/36/538851436.db2.gz	FGEVCSNPBXDSIS-UHFFFAOYSA-N	1	0	360.483	1.739	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCCC[N@H+]1CCCC	ZINC000560793343	545606894	/nfs/dbraw/zinc/60/68/94/545606894.db2.gz	JAINQLCFJPPTPB-KSZLIROESA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2nc3cc(C)ccc3[nH]2)CC1	ZINC000561413866	545838779	/nfs/dbraw/zinc/83/87/79/545838779.db2.gz	KBIMCHWTEBSIRD-UHFFFAOYSA-N	1	0	355.442	1.254	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@]2(CO)CCC)CC1	ZINC000561452001	545858154	/nfs/dbraw/zinc/85/81/54/545858154.db2.gz	AFPDTMYVBQJTNZ-IBGZPJMESA-N	1	0	351.491	1.297	20	30		FDEDRO
CC(C)CN1C[C@@H]2C[N@H+](CCC(=O)Nc3cccc(C#N)c3)CCN2C1=O	ZINC000562352136	546105739	/nfs/dbraw/zinc/10/57/39/546105739.db2.gz	HJACUIGQHNMEPI-SFHVURJKSA-N	1	0	369.469	1.965	20	30		FDEDRO
N#Cc1cccc(OC2CCN(C(=O)NC[C@H]3C[NH2+]CCCO3)CC2)c1	ZINC000562820917	546283573	/nfs/dbraw/zinc/28/35/73/546283573.db2.gz	NYYWCWPCTDGTAY-GOSISDBHSA-N	1	0	358.442	1.490	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)Cn1c(=O)onc1-c1ccccc1	ZINC000563002813	546350131	/nfs/dbraw/zinc/35/01/31/546350131.db2.gz	LAVNETVWQJUEQD-ULQDDVLXSA-N	1	0	359.426	1.435	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@H](O)Cn1c(=O)onc1-c1ccccc1	ZINC000563002812	546350273	/nfs/dbraw/zinc/35/02/73/546350273.db2.gz	LAVNETVWQJUEQD-IKGGRYGDSA-N	1	0	359.426	1.435	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1Br	ZINC000563129241	546417407	/nfs/dbraw/zinc/41/74/07/546417407.db2.gz	GUSBSIJBFNRYBA-SMDDNHRTSA-N	1	0	370.272	1.693	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+]	ZINC000563142410	546422809	/nfs/dbraw/zinc/42/28/09/546422809.db2.gz	OATMOHCMMRMBDL-JQHSSLGASA-N	1	0	357.454	1.169	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CCN(S(C)(=O)=O)C1)C(C)C	ZINC000563232800	546458222	/nfs/dbraw/zinc/45/82/22/546458222.db2.gz	KWMWKYCRQFVBFI-HOTGVXAUSA-N	1	0	372.535	1.018	20	30		FDEDRO
COc1ccc2c(c1)OC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C2	ZINC000563707314	546654818	/nfs/dbraw/zinc/65/48/18/546654818.db2.gz	KCBAOVYVDSRQES-HNNXBMFYSA-N	1	0	373.434	1.329	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H](O)CN(C)CCC#N)c1ccc(NC(=O)NC2CC2)cc1	ZINC000563805380	546691246	/nfs/dbraw/zinc/69/12/46/546691246.db2.gz	FKJLCTKMQGVLFF-RDTXWAMCSA-N	1	0	359.474	1.827	20	30		FDEDRO
C[NH+](C)CCOc1cnccc1CNC(=O)C(=O)Nc1ccc(C#N)cc1	ZINC000564180833	546833508	/nfs/dbraw/zinc/83/35/08/546833508.db2.gz	QIFJEMZZLNWYSC-UHFFFAOYSA-N	1	0	367.409	1.149	20	30		FDEDRO
CCO[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)[C@H]1n1cccn1	ZINC000564723715	547016263	/nfs/dbraw/zinc/01/62/63/547016263.db2.gz	PWLVIFRURDQJDK-KZNAEPCWSA-N	1	0	374.466	1.537	20	30		FDEDRO
CCOC(=O)CC[C@H](O)C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000564850917	547067833	/nfs/dbraw/zinc/06/78/33/547067833.db2.gz	DJPRJHBSYCTNPG-CGZBRXJRSA-N	1	0	361.442	1.937	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC(=O)C(=O)NCc1ccc(CC#N)cc1)C(C)(C)C	ZINC000564948845	547121607	/nfs/dbraw/zinc/12/16/07/547121607.db2.gz	LJICCWBNTLYKLB-QGZVFWFLSA-N	1	0	358.486	1.851	20	30		FDEDRO
COC(=O)c1ccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c(C#N)n1	ZINC000565227298	547263754	/nfs/dbraw/zinc/26/37/54/547263754.db2.gz	UROXTWIVFDIJML-AGUYFDCRSA-N	1	0	371.441	1.235	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)s1	ZINC000566501367	547784013	/nfs/dbraw/zinc/78/40/13/547784013.db2.gz	HJTGPUGXQXVPAW-JSGCOSHPSA-N	1	0	355.485	1.527	20	30		FDEDRO
N#Cc1ccc(OCC[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)cc1	ZINC000566673420	547847211	/nfs/dbraw/zinc/84/72/11/547847211.db2.gz	LWISRLDRTIVJHM-OAHLLOKOSA-N	1	0	356.378	1.695	20	30		FDEDRO
N#Cc1c(C#N)c(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)nc2c1CCCCCC2	ZINC000567179323	548024300	/nfs/dbraw/zinc/02/43/00/548024300.db2.gz	CYUSHCOYCCOBDT-GUYCJALGSA-N	1	0	364.453	1.232	20	30		FDEDRO
CCc1n[nH]c(=O)c(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)c1CC	ZINC000567378000	548098070	/nfs/dbraw/zinc/09/80/70/548098070.db2.gz	LQPHZVVZDPKPPN-OAHLLOKOSA-N	1	0	370.453	1.903	20	30		FDEDRO
C[NH+](C)CCn1ccc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)n1	ZINC000567625031	548185543	/nfs/dbraw/zinc/18/55/43/548185543.db2.gz	CIXWJSPIZXVMFH-UHFFFAOYSA-N	1	0	369.425	1.776	20	30		FDEDRO
Cn1nccc1N1CCC[C@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000567700386	548219004	/nfs/dbraw/zinc/21/90/04/548219004.db2.gz	KZOGQMKGHPYNEB-IRXDYDNUSA-N	1	0	355.442	1.290	20	30		FDEDRO
C=CCN=c1[nH]cc(C(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)s1	ZINC000567841947	548287427	/nfs/dbraw/zinc/28/74/27/548287427.db2.gz	WGLXHEYOTVYJLU-ZIAGYGMSSA-N	1	0	350.488	2.100	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1ccc(CC#N)cc1	ZINC000567845414	548288416	/nfs/dbraw/zinc/28/84/16/548288416.db2.gz	XEVMGFMOKIAMMS-MSOLQXFVSA-N	1	0	354.454	1.454	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCc2nnnn2CC1	ZINC000568400793	548522386	/nfs/dbraw/zinc/52/23/86/548522386.db2.gz	PJKNJJXRNAMAGS-KRWDZBQOSA-N	1	0	367.457	1.088	20	30		FDEDRO
CC1(C)[C@H](O)C[C@H]1[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000568410644	548526733	/nfs/dbraw/zinc/52/67/33/548526733.db2.gz	UGFAUEJYPBLDFI-NUEKZKHPSA-N	1	0	362.499	1.206	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)ncc1C#N	ZINC000568650242	548625968	/nfs/dbraw/zinc/62/59/68/548625968.db2.gz	NSLVQOMGJWRZBE-ORAYPTAESA-N	1	0	357.458	1.827	20	30		FDEDRO
C=CCC1(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CCOCC1	ZINC000568858048	548707729	/nfs/dbraw/zinc/70/77/29/548707729.db2.gz	ZRGLNGPDVCCHDX-UHFFFAOYSA-N	1	0	358.486	1.823	20	30		FDEDRO
C[NH+](C)C[C@H](O)COc1ccc(NS(=O)(=O)CCC(C)(C)C#N)cc1	ZINC000569276930	548859583	/nfs/dbraw/zinc/85/95/83/548859583.db2.gz	XBWQQNVIOMBUQD-HNNXBMFYSA-N	1	0	369.487	1.669	20	30		FDEDRO
CN(C)c1noc([C@@H]2CCC[N@H+](Cc3cnc4c(C#N)cnn4c3)C2)n1	ZINC000569363879	548892463	/nfs/dbraw/zinc/89/24/63/548892463.db2.gz	OIHWZPAQOSJANF-CYBMUJFWSA-N	1	0	352.402	1.430	20	30		FDEDRO
CC(C)NC(=O)c1cnn2c1C[C@@H](C[NH2+]Cc1nc(C#N)cs1)CC2	ZINC000569412746	548907432	/nfs/dbraw/zinc/90/74/32/548907432.db2.gz	HFVPUHPDCPBFID-LBPRGKRZSA-N	1	0	358.471	1.702	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNCc2cnc3c(C#N)cnn3c2)ccn1	ZINC000569724031	549027055	/nfs/dbraw/zinc/02/70/55/549027055.db2.gz	PHPBCHKJTFFVCM-UHFFFAOYSA-N	1	0	351.414	1.226	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)C[C@H]2CCCC[C@@H]2O)CC1	ZINC000569996145	549123520	/nfs/dbraw/zinc/12/35/20/549123520.db2.gz	IGZLPSFPEZFDBL-WBVHZDCISA-N	1	0	351.491	1.153	20	30		FDEDRO
CNS(=O)(=O)NC1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1	ZINC000570015212	549128932	/nfs/dbraw/zinc/12/89/32/549128932.db2.gz	FFTWDWRZGLDTAR-UHFFFAOYSA-N	1	0	366.487	1.387	20	30		FDEDRO
CN(c1nnc(COc2ccc(C#N)cc2)n1C)[C@H]1CC[N@@H+](C2CC2)C1	ZINC000570320419	549236862	/nfs/dbraw/zinc/23/68/62/549236862.db2.gz	XQPCHLNBLAGLLG-INIZCTEOSA-N	1	0	352.442	1.939	20	30		FDEDRO
C[N@H+](CCOCc1ccc(C#N)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000570361014	549252224	/nfs/dbraw/zinc/25/22/24/549252224.db2.gz	HJXZUCKRTXZNGD-KRWDZBQOSA-N	1	0	359.386	1.172	20	30		FDEDRO
COCCOC[C@H](O)C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000570676224	549370082	/nfs/dbraw/zinc/37/00/82/549370082.db2.gz	LICMBMLHSYRGSY-HZPDHXFCSA-N	1	0	351.422	1.280	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)C(=O)NCCCC[NH+]1CCOCC1	ZINC000570728676	549391258	/nfs/dbraw/zinc/39/12/58/549391258.db2.gz	VOXDAOWKDJDNEL-UHFFFAOYSA-N	1	0	365.499	1.491	20	30		FDEDRO
N#CCCn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c(-c2ccncc2)n1	ZINC000571024872	549496700	/nfs/dbraw/zinc/49/67/00/549496700.db2.gz	NVDORSXTCDNEOB-VDZJLULYSA-N	1	0	364.453	1.945	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@]23CCNC3=O)c(OC)c1	ZINC000571342026	549611199	/nfs/dbraw/zinc/61/11/99/549611199.db2.gz	UBDRXBBVMJXEPR-OXQOHEQNSA-N	1	0	360.454	1.518	20	30		FDEDRO
CCCN(C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H]1CC[NH2+]C1	ZINC000571387820	549626327	/nfs/dbraw/zinc/62/63/27/549626327.db2.gz	HOYDBHSYOQIJSJ-ROUUACIJSA-N	1	0	369.469	1.443	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]CCNC(=O)c2ccc(F)cc2)cc1	ZINC000571670621	549730114	/nfs/dbraw/zinc/73/01/14/549730114.db2.gz	DVANEHFEJRKXIE-SFHVURJKSA-N	1	0	371.412	1.651	20	30		FDEDRO
C[C@H]1C[C@H](N2CCOCC2)CN1S(=O)(=O)Cc1ccc(CC#N)cc1	ZINC000572239306	549871628	/nfs/dbraw/zinc/87/16/28/549871628.db2.gz	UQJDQZTYKICQSD-YJBOKZPZSA-N	1	0	363.483	1.377	20	30		FDEDRO
C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1cccc(Br)c1C#N	ZINC000572613488	549956193	/nfs/dbraw/zinc/95/61/93/549956193.db2.gz	DKGYBMMAIGQJJL-NXEZZACHSA-N	1	0	358.261	1.821	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1	ZINC000572796659	549996439	/nfs/dbraw/zinc/99/64/39/549996439.db2.gz	TYZCKRWJWCGRGE-GOSISDBHSA-N	1	0	365.518	1.810	20	30		FDEDRO
C[C@@]1(CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCC[NH2+]C1	ZINC000572856786	550011833	/nfs/dbraw/zinc/01/18/33/550011833.db2.gz	OHEAYUMGIXNOJM-FXAWDEMLSA-N	1	0	369.469	1.743	20	30		FDEDRO
CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]CCOc2ccc(C#N)cc2)cc1	ZINC000572993073	550040596	/nfs/dbraw/zinc/04/05/96/550040596.db2.gz	MGCYSDQAAGQBIZ-GOSISDBHSA-N	1	0	369.421	1.925	20	30		FDEDRO
COC[C@H](C)OC[C@H](O)C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000573239079	550094870	/nfs/dbraw/zinc/09/48/70/550094870.db2.gz	SAPCTEALNHEYST-BMGDILEWSA-N	1	0	361.442	1.056	20	30		FDEDRO
N#CC1(CNC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CC1	ZINC000573277466	550102376	/nfs/dbraw/zinc/10/23/76/550102376.db2.gz	IBILKKHUQOGWOB-UHFFFAOYSA-N	1	0	355.486	1.797	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1	ZINC000573306790	550107842	/nfs/dbraw/zinc/10/78/42/550107842.db2.gz	MOYBYBCUHZSKJT-CYBMUJFWSA-N	1	0	356.352	1.065	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)NC[C@H]3C[NH2+]CCCO3)n2)c(Cl)c1	ZINC000573666003	550187419	/nfs/dbraw/zinc/18/74/19/550187419.db2.gz	MOCGFGCUXNVFSC-CYBMUJFWSA-N	1	0	374.832	1.897	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCc2ccc(F)c(F)c2F)nc1	ZINC000574034105	550249727	/nfs/dbraw/zinc/24/97/27/550249727.db2.gz	PZSVTCHHIVZYKH-UHFFFAOYSA-N	1	0	369.368	1.977	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)cc1Br	ZINC000574382385	550304604	/nfs/dbraw/zinc/30/46/04/550304604.db2.gz	RZXKJEKGVAHTTA-SNVBAGLBSA-N	1	0	365.231	1.457	20	30		FDEDRO
CCNC(=O)c1cccc(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c1	ZINC000574803664	550373122	/nfs/dbraw/zinc/37/31/22/550373122.db2.gz	QFPHDVZBNLOXGB-GOSISDBHSA-N	1	0	353.422	1.837	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1	ZINC000574913452	550391513	/nfs/dbraw/zinc/39/15/13/550391513.db2.gz	SIQXKXQILFKFDN-MRXNPFEDSA-N	1	0	358.442	1.123	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CCC(=O)NCc1ccccc1Cl	ZINC000575103766	550426203	/nfs/dbraw/zinc/42/62/03/550426203.db2.gz	ZZYKUEULMPDCDU-UHFFFAOYSA-N	1	0	374.876	2.088	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2	ZINC000575160239	550436857	/nfs/dbraw/zinc/43/68/57/550436857.db2.gz	CJEZGJZRKTWFST-WIYYLYMNSA-N	1	0	355.482	1.892	20	30		FDEDRO
C[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000576212142	550523490	/nfs/dbraw/zinc/52/34/90/550523490.db2.gz	AHSKPTWTDQAUCM-SJORKVTESA-N	1	0	355.442	1.053	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1	ZINC000576696819	550576357	/nfs/dbraw/zinc/57/63/57/550576357.db2.gz	RNAGEDBEEVVBLD-ROUUACIJSA-N	1	0	360.458	1.100	20	30		FDEDRO
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)n1	ZINC000576727866	550579592	/nfs/dbraw/zinc/57/95/92/550579592.db2.gz	GNIHMPHXILGZHV-GXTWGEPZSA-N	1	0	370.844	2.471	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)NCCc1cccc(C#N)c1)[NH+]1CCN(C)CC1	ZINC000576896591	550597864	/nfs/dbraw/zinc/59/78/64/550597864.db2.gz	HCMMFWDELXXTHR-LJQANCHMSA-N	1	0	357.502	1.672	20	30		FDEDRO
C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)N1CCOCC1	ZINC000577171666	550627871	/nfs/dbraw/zinc/62/78/71/550627871.db2.gz	BHWDTGVVIZCERI-HUUCEWRRSA-N	1	0	351.472	1.031	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3C[C@H]4CC[NH2+]C[C@H]4C3)C2)c(F)c1	ZINC000577474679	550659609	/nfs/dbraw/zinc/65/96/09/550659609.db2.gz	GKUNZPLJNZYDKC-IKGGRYGDSA-N	1	0	371.460	1.917	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2CCOC2)nnc1N(C)CCN1CCOC(C)(C)C1	ZINC000577601632	550673972	/nfs/dbraw/zinc/67/39/72/550673972.db2.gz	DXYUNLPWMHBGLO-MRXNPFEDSA-N	1	0	363.506	1.905	20	30		FDEDRO
COc1cc(C[NH+]2CCC(c3nnc4n3CCNC4)CC2)ccc1C#N	ZINC000577952657	550712527	/nfs/dbraw/zinc/71/25/27/550712527.db2.gz	USAKRSOZAIKMSQ-UHFFFAOYSA-N	1	0	352.442	1.641	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000578256175	550745399	/nfs/dbraw/zinc/74/53/99/550745399.db2.gz	MIBNAGNQRJGAKL-KRWDZBQOSA-N	1	0	356.474	1.659	20	30		FDEDRO
N#Cc1cncnc1N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000578645737	550786891	/nfs/dbraw/zinc/78/68/91/550786891.db2.gz	XBTATDQILXOUDM-QGZVFWFLSA-N	1	0	363.469	1.782	20	30		FDEDRO
COc1ccc(Br)c(C[NH2+]C[C@@H](O)CN(C)CCC#N)c1	ZINC000578725815	550794054	/nfs/dbraw/zinc/79/40/54/550794054.db2.gz	IJQCZRXFXUMVRE-CYBMUJFWSA-N	1	0	356.264	1.754	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCN(CC(F)(F)F)C1=O	ZINC000578981888	550822314	/nfs/dbraw/zinc/82/23/14/550822314.db2.gz	UJVLGBWLEDNISZ-CABCVRRESA-N	1	0	372.387	1.908	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCN(c3ccccc3)C2=O)cc1	ZINC000579228594	550849814	/nfs/dbraw/zinc/84/98/14/550849814.db2.gz	UJDWNNXVQFMQRA-UYAOXDASSA-N	1	0	365.433	1.887	20	30		FDEDRO
CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2cc(C#N)n(C)c2)CC1	ZINC000579646997	550895514	/nfs/dbraw/zinc/89/55/14/550895514.db2.gz	BDKAZNADQPKJBD-AWEZNQCLSA-N	1	0	352.504	1.779	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]CCCS(=O)(=O)c2ccccc2)cc1	ZINC000579700775	550900836	/nfs/dbraw/zinc/90/08/36/550900836.db2.gz	LSNGFIBOQIPKSI-QGZVFWFLSA-N	1	0	374.462	1.752	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1	ZINC000579710090	550902172	/nfs/dbraw/zinc/90/21/72/550902172.db2.gz	AHLJNKDGMCMJKG-SCTDSRPQSA-N	1	0	360.454	1.455	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]CC(=O)N2CCCc3ccccc32)cc1	ZINC000579823619	550913684	/nfs/dbraw/zinc/91/36/84/550913684.db2.gz	BWVCONOHCRLIST-SFHVURJKSA-N	1	0	365.433	1.867	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCO[C@H](C(C)(C)C)C2)CC1	ZINC000579987546	550931590	/nfs/dbraw/zinc/93/15/90/550931590.db2.gz	XYHICIWZENLHLH-IRXDYDNUSA-N	1	0	365.518	1.853	20	30		FDEDRO
N#Cc1cccnc1OC1CCC(NC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1	ZINC000580053019	550937565	/nfs/dbraw/zinc/93/75/65/550937565.db2.gz	PRYVQTYLFSVNSV-VYMRPNJYSA-N	1	0	369.469	1.894	20	30		FDEDRO
C[C@H](NC(=O)c1ccc(Br)cc1C#N)C(=O)NCC[NH+](C)C	ZINC000580464831	550985195	/nfs/dbraw/zinc/98/51/95/550985195.db2.gz	YIRQSMJEVLUMPS-JTQLQIEISA-N	1	0	367.247	1.117	20	30		FDEDRO
N#Cc1cnc2ccccc2c1N1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)CC1	ZINC000580533225	550991763	/nfs/dbraw/zinc/99/17/63/550991763.db2.gz	UJXODSHSGHFYRM-INIZCTEOSA-N	1	0	364.453	1.690	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)CCC[NH+](C)C)cc1	ZINC000581150021	551057275	/nfs/dbraw/zinc/05/72/75/551057275.db2.gz	JZYDFRUDZGPKTF-ZDUSSCGKSA-N	1	0	352.460	1.788	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCc2ccccc2[N+](=O)[O-])nc1	ZINC000581721635	551127092	/nfs/dbraw/zinc/12/70/92/551127092.db2.gz	HRSVWRYGHLMNIZ-UHFFFAOYSA-N	1	0	360.395	1.467	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@H](Cn1ccccc1=O)c1ccccc1	ZINC000582356160	551212059	/nfs/dbraw/zinc/21/20/59/551212059.db2.gz	YUWMFUVUJPGXEC-RBUKOAKNSA-N	1	0	354.454	1.386	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]CC(=O)N2CCc3ccccc3C2)cc1	ZINC000582481891	551230086	/nfs/dbraw/zinc/23/00/86/551230086.db2.gz	KVMUZYGMMGYWKE-IBGZPJMESA-N	1	0	365.433	1.472	20	30		FDEDRO
C[C@@H](C#N)CN(C)C(=O)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1	ZINC000582976290	551287546	/nfs/dbraw/zinc/28/75/46/551287546.db2.gz	OYAFZCBRYDFOEY-WMZOPIPTSA-N	1	0	356.470	1.380	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)NCC[C@H]2CCC[NH2+]C2)n1	ZINC000583012705	551290741	/nfs/dbraw/zinc/29/07/41/551290741.db2.gz	YBINEHQTLYZDSF-CYBMUJFWSA-N	1	0	356.405	2.394	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@H]3CN(C(C)=O)C[C@H]32)CC1	ZINC000583228814	551322115	/nfs/dbraw/zinc/32/21/15/551322115.db2.gz	KLLQWGLMIILBNU-QXAKKESOSA-N	1	0	362.518	1.973	20	30		FDEDRO
CCc1nn(C)c(CC)c1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000583258904	551326440	/nfs/dbraw/zinc/32/64/40/551326440.db2.gz	VNELUORHMFOMFY-UHFFFAOYSA-N	1	0	360.483	1.980	20	30		FDEDRO
CNC(=O)C[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccccc1	ZINC000583864796	551412408	/nfs/dbraw/zinc/41/24/08/551412408.db2.gz	VIKYINCGXPFUOH-UYAOXDASSA-N	1	0	367.449	1.959	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000584548827	551515964	/nfs/dbraw/zinc/51/59/64/551515964.db2.gz	KOOPLCGXIRUFDK-YIONKMFJSA-N	1	0	356.426	1.589	20	30		FDEDRO
CC[N@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)[C@@H]1CCOC1	ZINC000584563629	551517939	/nfs/dbraw/zinc/51/79/39/551517939.db2.gz	GGUKLSKEAYVQCB-MOPGFXCFSA-N	1	0	374.460	1.645	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCC[C@H](OCC)C2CCCC2)CC1	ZINC000584672505	551527438	/nfs/dbraw/zinc/52/74/38/551527438.db2.gz	WTKHZGJYYUZWKV-SFHVURJKSA-N	1	0	365.518	1.855	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)C(=O)NCc2ccc(C#N)cc2F)CCCCC1	ZINC000585683916	551581512	/nfs/dbraw/zinc/58/15/12/551581512.db2.gz	VUXNNBDMLAPTJK-UHFFFAOYSA-N	1	0	360.433	1.694	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)C1	ZINC000585690410	551581979	/nfs/dbraw/zinc/58/19/79/551581979.db2.gz	ZRLDWIIUMANWLD-CRAIPNDOSA-N	1	0	372.469	1.208	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1	ZINC000585716891	551586523	/nfs/dbraw/zinc/58/65/23/551586523.db2.gz	AWOPFJHWNSACRB-MOPGFXCFSA-N	1	0	359.470	1.485	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC[C@H]21	ZINC000586864971	551627907	/nfs/dbraw/zinc/62/79/07/551627907.db2.gz	VGXIGMTXSASAPG-DOTOQJQBSA-N	1	0	358.417	1.256	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1cccc(C#N)c1	ZINC000587703550	551634259	/nfs/dbraw/zinc/63/42/59/551634259.db2.gz	LABJDRIMJNHQAO-QAPCUYQASA-N	1	0	354.454	1.822	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1	ZINC000588056073	551643763	/nfs/dbraw/zinc/64/37/63/551643763.db2.gz	UFXXFFMXIVYKLB-IBGZPJMESA-N	1	0	368.481	1.896	20	30		FDEDRO
C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	ZINC000588727407	551679790	/nfs/dbraw/zinc/67/97/90/551679790.db2.gz	RUGNYHDDPBQIBE-ZDUSSCGKSA-N	1	0	367.409	1.750	20	30		FDEDRO
C[NH+]1CCN(C[C@H](NC(=O)c2cc(O)cc(C#N)c2)c2ccccc2)CC1	ZINC000589178287	551715603	/nfs/dbraw/zinc/71/56/03/551715603.db2.gz	VHNBMHKZVQODJG-FQEVSTJZSA-N	1	0	364.449	1.982	20	30		FDEDRO
C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)c2cccc(C#N)n2)CC1	ZINC000589331402	551724895	/nfs/dbraw/zinc/72/48/95/551724895.db2.gz	XBXVJLOFFMXWNC-UHFFFAOYSA-N	1	0	371.485	1.509	20	30		FDEDRO
C[NH+](C)CCn1cc(NC(=O)N2CCN(c3cnccc3C#N)CC2)cn1	ZINC000590121158	551761177	/nfs/dbraw/zinc/76/11/77/551761177.db2.gz	PDLSBYIZIVKKEC-UHFFFAOYSA-N	1	0	368.445	1.065	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3cc(C#N)ccc3OC(F)F)[C@H]2C1	ZINC000590279276	551769427	/nfs/dbraw/zinc/76/94/27/551769427.db2.gz	AYLCVEPGGUAXNR-YPMHNXCESA-N	1	0	364.352	1.261	20	30		FDEDRO
COCC1([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCOCC1	ZINC000590602125	551797472	/nfs/dbraw/zinc/79/74/72/551797472.db2.gz	VCZIMKUMLJGIER-UHFFFAOYSA-N	1	0	369.425	1.468	20	30		FDEDRO
C[N@@H+]1CCCN(CCCNc2ncc(Br)cc2C#N)CC1	ZINC000590687835	551805226	/nfs/dbraw/zinc/80/52/26/551805226.db2.gz	HTWBLYAAJHKVND-UHFFFAOYSA-N	1	0	352.280	2.155	20	30		FDEDRO
CCn1cc(C#N)c(=O)n(Cc2ccc(C[NH+]3CCCCC3)cc2)c1=O	ZINC000591125195	551846071	/nfs/dbraw/zinc/84/60/71/551846071.db2.gz	JIIYFAMRAOXAQV-UHFFFAOYSA-N	1	0	352.438	1.936	20	30		FDEDRO
COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCc3cc(C#N)ccc32)CC[N@H+](C)C1	ZINC000591189473	551850416	/nfs/dbraw/zinc/85/04/16/551850416.db2.gz	GMYBQEJPQWWFAU-RDJZCZTQSA-N	1	0	356.426	1.292	20	30		FDEDRO
C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1	ZINC000591289634	551856662	/nfs/dbraw/zinc/85/66/62/551856662.db2.gz	CZJMPRMDMIASHL-HNNXBMFYSA-N	1	0	365.393	1.504	20	30		FDEDRO
N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)cn2)c1	ZINC000591290498	551856927	/nfs/dbraw/zinc/85/69/27/551856927.db2.gz	ZTYOUDCIIJQIFJ-CQSZACIVSA-N	1	0	365.393	1.552	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NCC[NH2+]C2CC2)ccc1Br	ZINC000591294667	551857429	/nfs/dbraw/zinc/85/74/29/551857429.db2.gz	FCGNPLKWNMRBEE-UHFFFAOYSA-N	1	0	351.204	1.127	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N(CCOC)CC[NH+](C)C)cc2C1=O	ZINC000591301160	551858330	/nfs/dbraw/zinc/85/83/30/551858330.db2.gz	PTKOIADBWFQMGS-UHFFFAOYSA-N	1	0	359.426	1.119	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc1C#N	ZINC000591303196	551858823	/nfs/dbraw/zinc/85/88/23/551858823.db2.gz	LYQWZRYHRVHIQH-MRXNPFEDSA-N	1	0	358.442	1.740	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1C(F)(F)F	ZINC000591304637	551859397	/nfs/dbraw/zinc/85/93/97/551859397.db2.gz	LRXAEXDNVFUNHX-HZMBPMFUSA-N	1	0	366.343	1.726	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1	ZINC000591308497	551860325	/nfs/dbraw/zinc/86/03/25/551860325.db2.gz	ZHZILXVINRLPRM-IAGOWNOFSA-N	1	0	354.454	1.929	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1	ZINC000591362171	551866488	/nfs/dbraw/zinc/86/64/88/551866488.db2.gz	ZZYBIBVEFNVITN-JSGCOSHPSA-N	1	0	358.446	1.383	20	30		FDEDRO
C=CCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1	ZINC000591611590	551884734	/nfs/dbraw/zinc/88/47/34/551884734.db2.gz	AGAFFRSLQKCZRV-ROUUACIJSA-N	1	0	374.533	1.574	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]Cc2cccc(N3CCOCC3)n2)cc1	ZINC000591761062	551907087	/nfs/dbraw/zinc/90/70/87/551907087.db2.gz	JMGUQGBQUORSFV-SFHVURJKSA-N	1	0	368.437	1.319	20	30		FDEDRO
CC(C)[C@H]1C[C@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CCO1	ZINC000591770520	551907601	/nfs/dbraw/zinc/90/76/01/551907601.db2.gz	FWOPRSHGJWCVHZ-GDBMZVCRSA-N	1	0	351.472	1.768	20	30		FDEDRO
CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3ncc4c(c3C#N)CCC4)C[C@H]2C)CC1	ZINC000591821310	551910027	/nfs/dbraw/zinc/91/00/27/551910027.db2.gz	CCBNNWSOPZFFOT-FOIQADDNSA-N	1	0	367.497	1.821	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)NCc1ccc(S(C)(=O)=O)cc1)c1cccc(C#N)c1	ZINC000591845550	551911063	/nfs/dbraw/zinc/91/10/63/551911063.db2.gz	IQGWQEHWUIRBLH-AWEZNQCLSA-N	1	0	371.462	1.929	20	30		FDEDRO
COc1ccc2ncc(C#N)c(NC3CCN(CC[NH+](C)C)CC3)c2c1	ZINC000591894259	551913988	/nfs/dbraw/zinc/91/39/88/551913988.db2.gz	FABSAQZBKLGMNQ-UHFFFAOYSA-N	1	0	353.470	1.975	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@](O)(CC#N)C2)[C@@H](C)C1	ZINC000591962708	551920921	/nfs/dbraw/zinc/92/09/21/551920921.db2.gz	AHWGQZGWPUZMBO-XYJFISCASA-N	1	0	352.479	1.183	20	30		FDEDRO
CO[C@@H](CS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C(C)C	ZINC000592018742	551927411	/nfs/dbraw/zinc/92/74/11/551927411.db2.gz	XIUHJROIWHPSKI-SFHVURJKSA-N	1	0	367.515	1.923	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1	ZINC000592080212	551937497	/nfs/dbraw/zinc/93/74/97/551937497.db2.gz	QUBTXTFQOMVVRU-UHFFFAOYSA-N	1	0	365.499	1.707	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2)C1	ZINC000592154846	551951128	/nfs/dbraw/zinc/95/11/28/551951128.db2.gz	KGTBHFVJZZTVKG-GOEBONIOSA-N	1	0	358.442	1.025	20	30		FDEDRO
Cc1nn(-c2ccccc2)c(CN2C(=O)N[C@@]3(CCC[NH2+]C3)C2=O)c1C#N	ZINC000592180466	551954311	/nfs/dbraw/zinc/95/43/11/551954311.db2.gz	SBDRRBJJOHMEAZ-LJQANCHMSA-N	1	0	364.409	1.226	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)N[C@]3(CCC[NH2+]C3)C2=O)c(Br)c1	ZINC000592180154	551954448	/nfs/dbraw/zinc/95/44/48/551954448.db2.gz	MCHZUUZALJRAHF-HNNXBMFYSA-N	1	0	363.215	1.495	20	30		FDEDRO
CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)cc1	ZINC000592299569	551974390	/nfs/dbraw/zinc/97/43/90/551974390.db2.gz	LLXBLUZYXZLFQD-IBGZPJMESA-N	1	0	358.442	1.344	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(C[C@H]3CCCO3)CC2)CC1	ZINC000592351898	551983461	/nfs/dbraw/zinc/98/34/61/551983461.db2.gz	GSYMFHVKNZQXGO-GOSISDBHSA-N	1	0	350.507	1.533	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1Br	ZINC000592381463	551986471	/nfs/dbraw/zinc/98/64/71/551986471.db2.gz	ORFBUHBDWUPBJH-QMTHXVAHSA-N	1	0	370.272	1.693	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCc1ccc(C[NH3+])cc1	ZINC000592427645	551993765	/nfs/dbraw/zinc/99/37/65/551993765.db2.gz	MBPUASYJMTZXCF-UHFFFAOYSA-N	1	0	353.426	1.828	20	30		FDEDRO
C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	ZINC000592428529	551994089	/nfs/dbraw/zinc/99/40/89/551994089.db2.gz	WFZXBCUSZCOLDO-STQMWFEESA-N	1	0	367.409	1.926	20	30		FDEDRO
CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1	ZINC000592432508	551994480	/nfs/dbraw/zinc/99/44/80/551994480.db2.gz	NZVGBWLIOQUBMV-GDBMZVCRSA-N	1	0	354.472	1.080	20	30		FDEDRO
CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1	ZINC000592432510	551994523	/nfs/dbraw/zinc/99/45/23/551994523.db2.gz	NZVGBWLIOQUBMV-HOCLYGCPSA-N	1	0	354.472	1.080	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+])c1cccc(C#N)c1	ZINC000592441897	551995916	/nfs/dbraw/zinc/99/59/16/551995916.db2.gz	AAQRRXZGNYQCBG-IFXJQAMLSA-N	1	0	362.433	1.820	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)[C@@H]([NH3+])c3cccc(Cl)c3)CC2)c1	ZINC000592444693	551996177	/nfs/dbraw/zinc/99/61/77/551996177.db2.gz	FMRKDFIFOMFSRX-KRWDZBQOSA-N	1	0	355.829	1.955	20	30		FDEDRO
COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1	ZINC000592529528	552005416	/nfs/dbraw/zinc/00/54/16/552005416.db2.gz	LPSYDPMLABVUPS-RDJZCZTQSA-N	1	0	369.425	1.215	20	30		FDEDRO
C[C@@H](CC(=O)NC1(C#N)CC[NH+](C)CC1)n1cc(Br)cn1	ZINC000592611581	552013165	/nfs/dbraw/zinc/01/31/65/552013165.db2.gz	KLNFVHSCDJURGL-NSHDSACASA-N	1	0	354.252	1.701	20	30		FDEDRO
C[NH+](C)CCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1	ZINC000592745937	552023142	/nfs/dbraw/zinc/02/31/42/552023142.db2.gz	MPTLXFXYBZPXMN-UHFFFAOYSA-N	1	0	351.248	1.435	20	30		FDEDRO
Cc1cccc(N2CC[NH+](CCC(=O)N3CC[C@@](O)(CC#N)C3)CC2)c1	ZINC000592845317	552034996	/nfs/dbraw/zinc/03/49/96/552034996.db2.gz	NSVSOYARHONPFR-FQEVSTJZSA-N	1	0	356.470	1.384	20	30		FDEDRO
CCN(CCC#N)C(=O)CN1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21	ZINC000593067335	552057830	/nfs/dbraw/zinc/05/78/30/552057830.db2.gz	JZAZYVIZLSMJDS-PMACEKPBSA-N	1	0	370.497	1.724	20	30		FDEDRO
C[C@H](CCO)[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000593109225	552063591	/nfs/dbraw/zinc/06/35/91/552063591.db2.gz	XFRARCBBHYZNNV-HUUCEWRRSA-N	1	0	350.488	1.160	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(N3C(=O)[C@H]4[C@@H](O)CCCN4C3=O)CC2)c1	ZINC000593232898	552075259	/nfs/dbraw/zinc/07/52/59/552075259.db2.gz	RXFWMHFNCJYQHD-ZWKOTPCHSA-N	1	0	368.437	1.310	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@H](C)O[C@H](C(=O)OC)C1)C(C)C	ZINC000593305832	552086250	/nfs/dbraw/zinc/08/62/50/552086250.db2.gz	RCSWDCHOXHLNEA-BBWFWOEESA-N	1	0	367.490	1.657	20	30		FDEDRO
C[C@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[C@@H]1O	ZINC000593515030	552120441	/nfs/dbraw/zinc/12/04/41/552120441.db2.gz	FCQXUNRERKLOOE-KXBFYZLASA-N	1	0	356.470	1.935	20	30		FDEDRO
C[C@@H](O)[C@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCO1	ZINC000593518860	552121659	/nfs/dbraw/zinc/12/16/59/552121659.db2.gz	XNJPQJGCHADGPS-DNVCBOLYSA-N	1	0	372.469	1.314	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(C(C)(C)C#N)cc1	ZINC000593544140	552128544	/nfs/dbraw/zinc/12/85/44/552128544.db2.gz	QQSCNHFPAIKRPJ-OAHLLOKOSA-N	1	0	364.515	1.402	20	30		FDEDRO
CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1C(=O)OC	ZINC000593580018	552142329	/nfs/dbraw/zinc/14/23/29/552142329.db2.gz	IJLCFHMZZSQQGJ-GFCCVEGCSA-N	1	0	353.444	1.353	20	30		FDEDRO
Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC1(C#N)CCCC1	ZINC000593619894	552154242	/nfs/dbraw/zinc/15/42/42/552154242.db2.gz	IBEYYJIOUVNLEG-UHFFFAOYSA-N	1	0	353.492	1.424	20	30		FDEDRO
N#Cc1c(F)cccc1N1CCN(C(=O)NCCC2CC[NH2+]CC2)CC1	ZINC000593718595	552181908	/nfs/dbraw/zinc/18/19/08/552181908.db2.gz	LFMNMOPBNPQUBJ-UHFFFAOYSA-N	1	0	359.449	1.919	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1C#N	ZINC000593732501	552185879	/nfs/dbraw/zinc/18/58/79/552185879.db2.gz	OPMPPFOIMLMMNB-DJIMGWMZSA-N	1	0	363.483	1.916	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)ccc1F	ZINC000593766337	552194091	/nfs/dbraw/zinc/19/40/91/552194091.db2.gz	GNFHYNRQSUMTPC-DXCKQFNASA-N	1	0	374.416	1.381	20	30		FDEDRO
COCC[NH2+]C1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1	ZINC000593766439	552194252	/nfs/dbraw/zinc/19/42/52/552194252.db2.gz	JBCCZJOCFZAFPH-UHFFFAOYSA-N	1	0	364.833	1.377	20	30		FDEDRO
CCCC[C@@H](NC(N)=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593884181	552216876	/nfs/dbraw/zinc/21/68/76/552216876.db2.gz	UNGPHYCYGDLBAZ-GOSISDBHSA-N	1	0	371.485	1.866	20	30		FDEDRO
CNC(=O)CCCCC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593885670	552217418	/nfs/dbraw/zinc/21/74/18/552217418.db2.gz	KDGPBBLGZXILDZ-UHFFFAOYSA-N	1	0	356.470	1.945	20	30		FDEDRO
N#Cc1ccc(C2([NH2+]CC(=O)NCCCN3CCCC3=O)CCC2)cc1	ZINC000594032735	552241637	/nfs/dbraw/zinc/24/16/37/552241637.db2.gz	NEHJKCPXLWNQPW-UHFFFAOYSA-N	1	0	354.454	1.656	20	30		FDEDRO
COC(=O)C1CCN(C(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCC2)CC1	ZINC000594031403	552241803	/nfs/dbraw/zinc/24/18/03/552241803.db2.gz	ZTNHIGZKAKHUIS-UHFFFAOYSA-N	1	0	355.438	1.939	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCC(=O)NCC[NH+]1CCCCCC1	ZINC000594038110	552242258	/nfs/dbraw/zinc/24/22/58/552242258.db2.gz	IXFFFVUFDWJCQR-KRWDZBQOSA-N	1	0	370.497	1.845	20	30		FDEDRO
C[C@H](CNC(=O)c1ccn(-c2cccc(C#N)c2)n1)N1C[C@@H](C)O[C@@H](C)C1	ZINC000594097705	552248251	/nfs/dbraw/zinc/24/82/51/552248251.db2.gz	AUFGNRUXBQQYHD-OAGGEKHMSA-N	1	0	367.453	1.971	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)N1Cc2ccc(C#N)cc2C1)[NH+]1CCN(C)CC1	ZINC000594212301	552265082	/nfs/dbraw/zinc/26/50/82/552265082.db2.gz	XLCWOEZHRUUGLP-LJQANCHMSA-N	1	0	355.486	1.855	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C	ZINC000594262520	552272970	/nfs/dbraw/zinc/27/29/70/552272970.db2.gz	QENOAAMXUQJYNB-APWZRJJASA-N	1	0	370.497	1.796	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12	ZINC000594325879	552288249	/nfs/dbraw/zinc/28/82/49/552288249.db2.gz	JVGZTGWKEHORAD-ZBFHGGJFSA-N	1	0	356.426	1.638	20	30		FDEDRO
C=CCOC[C@@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)C(=O)OC	ZINC000594351178	552293848	/nfs/dbraw/zinc/29/38/48/552293848.db2.gz	GUTFPHWFUUNMGG-LSDHHAIUSA-N	1	0	356.488	1.064	20	30		FDEDRO
N#Cc1cc(Br)ccc1C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000594385500	552300215	/nfs/dbraw/zinc/30/02/15/552300215.db2.gz	GAIOFLKAYSQFNI-QWHCGFSZSA-N	1	0	350.216	1.212	20	30		FDEDRO
C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000594438439	552309901	/nfs/dbraw/zinc/30/99/01/552309901.db2.gz	NWDMPAAOHHGAOT-XJKSGUPXSA-N	1	0	366.487	1.525	20	30		FDEDRO
C[C@@H]1CN(Cc2cccc(CNC(=O)[C@H]([NH3+])CCCCC#N)c2)CCO1	ZINC000594438660	552310285	/nfs/dbraw/zinc/31/02/85/552310285.db2.gz	PKFNXOWCKXGYGG-VQIMIIECSA-N	1	0	358.486	1.935	20	30		FDEDRO
Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)[C@H]([NH3+])CCCCC#N)C2)n1	ZINC000594440437	552311041	/nfs/dbraw/zinc/31/10/41/552311041.db2.gz	CHCIKMVIRNBXFH-JKSUJKDBSA-N	1	0	357.458	1.978	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)Nc1cccc(CN2CCC[C@H]2C(N)=O)c1	ZINC000594441026	552311254	/nfs/dbraw/zinc/31/12/54/552311254.db2.gz	LEJNGURGNRLVMV-IRXDYDNUSA-N	1	0	357.458	1.486	20	30		FDEDRO
CC(C)(C#N)c1ccc(C[NH2+]CCNS(=O)(=O)c2cccnc2)cc1	ZINC000594505539	552326719	/nfs/dbraw/zinc/32/67/19/552326719.db2.gz	SQDVWZLYUFGRKK-UHFFFAOYSA-N	1	0	358.467	1.951	20	30		FDEDRO
N#Cc1ccccc1N1CCCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1	ZINC000594524877	552327779	/nfs/dbraw/zinc/32/77/79/552327779.db2.gz	MNYIQMYFXCFXBW-AWEZNQCLSA-N	1	0	355.364	1.670	20	30		FDEDRO
C[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)N1C[C@@H](C)O[C@@H](C)C1	ZINC000594577664	552336522	/nfs/dbraw/zinc/33/65/22/552336522.db2.gz	YCQWWGZANKBEJU-OAGGEKHMSA-N	1	0	365.499	1.419	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1	ZINC000594620165	552342301	/nfs/dbraw/zinc/34/23/01/552342301.db2.gz	BZNZVNDCXJJFTP-QZTJIDSGSA-N	1	0	354.454	1.502	20	30		FDEDRO
C[C@@H](CCNS(=O)(=O)c1cc(Br)cc(C#N)c1)[NH+](C)C	ZINC000594816907	552396463	/nfs/dbraw/zinc/39/64/63/552396463.db2.gz	LRFNTELWADSBSV-JTQLQIEISA-N	1	0	360.277	1.939	20	30		FDEDRO
CN(CCC[NH+](C)C)CCNS(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000594822262	552398771	/nfs/dbraw/zinc/39/87/71/552398771.db2.gz	UMHHYSFLUPVIJG-UHFFFAOYSA-N	1	0	356.467	1.000	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)CCOC2	ZINC000595004940	552436403	/nfs/dbraw/zinc/43/64/03/552436403.db2.gz	UTJZNWCBYKZREX-UHFFFAOYSA-N	1	0	358.442	1.392	20	30		FDEDRO
CCN(C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H]1CC[N@H+](C)C1	ZINC000595101993	552451110	/nfs/dbraw/zinc/45/11/10/552451110.db2.gz	HCZYQKLDBCFQMT-GFCCVEGCSA-N	1	0	366.368	1.651	20	30		FDEDRO
CCN(C(=O)C(=O)N1CC[C@](C)(C#N)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000595130914	552461719	/nfs/dbraw/zinc/46/17/19/552461719.db2.gz	ZZCGJWWAZADFPG-GHTZIAJQSA-N	1	0	368.481	1.872	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CC[C@](C)(C#N)C1	ZINC000595146003	552466937	/nfs/dbraw/zinc/46/69/37/552466937.db2.gz	KPFALEBJCBHIDG-LJQANCHMSA-N	1	0	360.433	1.478	20	30		FDEDRO
CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[C@](C)(C#N)C3)c2)CC1	ZINC000595207481	552490659	/nfs/dbraw/zinc/49/06/59/552490659.db2.gz	MBNQHABECYPIEI-HXUWFJFHSA-N	1	0	369.469	1.529	20	30		FDEDRO
N#CCCn1ccc(=NC(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)[nH]1	ZINC000595230089	552498896	/nfs/dbraw/zinc/49/88/96/552498896.db2.gz	RLWIHDMFNVYUAN-BBRMVZONSA-N	1	0	374.395	2.342	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000595235166	552500808	/nfs/dbraw/zinc/50/08/08/552500808.db2.gz	JDSNXWWDMGXFTN-INIZCTEOSA-N	1	0	358.442	1.374	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)ccc1F	ZINC000595239485	552502291	/nfs/dbraw/zinc/50/22/91/552502291.db2.gz	AAIBIYYSFUHTPM-AWEZNQCLSA-N	1	0	358.417	1.874	20	30		FDEDRO
CC(C)(C)c1csc(NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c1C#N	ZINC000595242536	552503506	/nfs/dbraw/zinc/50/35/06/552503506.db2.gz	UMLRHHNPLSWFMA-VXGBXAGGSA-N	1	0	352.435	1.753	20	30		FDEDRO
C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595273332	552509365	/nfs/dbraw/zinc/50/93/65/552509365.db2.gz	KRYSNLQYGUMJQM-KGLIPLIRSA-N	1	0	367.457	1.516	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CCCCC1	ZINC000595278978	552511143	/nfs/dbraw/zinc/51/11/43/552511143.db2.gz	VKMXLFQYGBKWON-IRXDYDNUSA-N	1	0	360.502	1.957	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CCO1	ZINC000595405047	552551745	/nfs/dbraw/zinc/55/17/45/552551745.db2.gz	RUTZWUDGFIPNTI-AWEZNQCLSA-N	1	0	371.890	1.943	20	30		FDEDRO
CCN1CC[NH+](CCCCNC(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000595459775	552564739	/nfs/dbraw/zinc/56/47/39/552564739.db2.gz	DXVUNZBMEUKIID-UHFFFAOYSA-N	1	0	357.502	1.818	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@@H]([NH+]2CCOCC2)CC1	ZINC000595470062	552567712	/nfs/dbraw/zinc/56/77/12/552567712.db2.gz	LNCBYSJJRCJULQ-ZHALLVOQSA-N	1	0	350.507	1.616	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](N3CCC[C@H]([NH+]4CCOCC4)CC3)C2=O)cc1	ZINC000595470710	552567933	/nfs/dbraw/zinc/56/79/33/552567933.db2.gz	QRKYIRYMCJPXPD-AZUAARDMSA-N	1	0	368.481	1.850	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)N2CCC[C@H](CC#N)C2)CC1	ZINC000595477243	552569295	/nfs/dbraw/zinc/56/92/95/552569295.db2.gz	ROPUXFKZLQNJPL-MRXNPFEDSA-N	1	0	356.474	1.669	20	30		FDEDRO
N#Cc1ccc(CCNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1	ZINC000595515520	552576724	/nfs/dbraw/zinc/57/67/24/552576724.db2.gz	WQNIQLTZUSFTFB-GOSISDBHSA-N	1	0	356.470	1.901	20	30		FDEDRO
COC(=O)[C@@H]1CC[N@H+](CC(=O)N(CCC#N)CCC#N)[C@H]2CCCC[C@@H]12	ZINC000595741868	552609549	/nfs/dbraw/zinc/60/95/49/552609549.db2.gz	ZZERAABDYOUUJH-BBWFWOEESA-N	1	0	360.458	1.696	20	30		FDEDRO
C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000595787417	552615112	/nfs/dbraw/zinc/61/51/12/552615112.db2.gz	OYJONISNMCDDGH-KRWDZBQOSA-N	1	0	370.501	1.905	20	30		FDEDRO
CCN(CC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1)[C@H](C)C#N	ZINC000595816438	552619046	/nfs/dbraw/zinc/61/90/46/552619046.db2.gz	AMGWGRWQYYDRQO-QGZVFWFLSA-N	1	0	358.486	1.963	20	30		FDEDRO
CC(C)NC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000595851304	552623493	/nfs/dbraw/zinc/62/34/93/552623493.db2.gz	QMIAQZGVBPLOQB-FUHWJXTLSA-N	1	0	354.454	1.900	20	30		FDEDRO
CC(C)NC(=O)[C@H]1CCCN([C@H]2CCN(c3sccc3C#N)C2=O)C1	ZINC000595851971	552623651	/nfs/dbraw/zinc/62/36/51/552623651.db2.gz	WHOIZTQEISDDJA-GJZGRUSLSA-N	1	0	360.483	1.962	20	30		FDEDRO
C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595969430	552639864	/nfs/dbraw/zinc/63/98/64/552639864.db2.gz	FOMRPLUCBYMRNS-PBHICJAKSA-N	1	0	364.453	1.595	20	30		FDEDRO
C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595969437	552640018	/nfs/dbraw/zinc/64/00/18/552640018.db2.gz	FOMRPLUCBYMRNS-YOEHRIQHSA-N	1	0	364.453	1.595	20	30		FDEDRO
C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC1	ZINC000595982087	552640920	/nfs/dbraw/zinc/64/09/20/552640920.db2.gz	RDYMJPJKYNOWQL-OAHLLOKOSA-N	1	0	372.469	1.432	20	30		FDEDRO
CCc1nc(C#N)cc(N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)n1	ZINC000596175349	552662425	/nfs/dbraw/zinc/66/24/25/552662425.db2.gz	NLNGIAFILCZVKE-KRWDZBQOSA-N	1	0	366.469	1.612	20	30		FDEDRO
Cc1ccccc1C[NH+]1CCC(NC(=O)Cn2ccc(C#N)cc2=O)CC1	ZINC000596331010	552674545	/nfs/dbraw/zinc/67/45/45/552674545.db2.gz	TUYPVJGXQZBXJR-UHFFFAOYSA-N	1	0	364.449	1.809	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1	ZINC000596494824	552684053	/nfs/dbraw/zinc/68/40/53/552684053.db2.gz	WMTKPAHKRLBXFS-SFHVURJKSA-N	1	0	351.454	1.443	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1	ZINC000596569936	552689913	/nfs/dbraw/zinc/68/99/13/552689913.db2.gz	OLBBYSIDRSYIKP-KRWDZBQOSA-N	1	0	354.454	1.929	20	30		FDEDRO
CC(C)[NH+]1CCN([C@H]2CCN(C(=O)NCCc3ccc(C#N)cc3)C2)CC1	ZINC000596674060	552700020	/nfs/dbraw/zinc/70/00/20/552700020.db2.gz	XKZAGDYTIYFUIJ-FQEVSTJZSA-N	1	0	369.513	1.911	20	30		FDEDRO
COC(=O)C1CC[NH+](CCCNC(=O)c2cc(F)c(C#N)c(F)c2)CC1	ZINC000596806498	552712776	/nfs/dbraw/zinc/71/27/76/552712776.db2.gz	ZLAHHCJSTICGMZ-UHFFFAOYSA-N	1	0	365.380	1.841	20	30		FDEDRO
Cc1cc(=NC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)[nH]n1CCC#N	ZINC000596817036	552713946	/nfs/dbraw/zinc/71/39/46/552713946.db2.gz	SVDRFWFYTURVNZ-KRWDZBQOSA-N	1	0	352.442	2.501	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@H](C[C@@H]1COCCO1)C(F)(F)F	ZINC000596926058	552725143	/nfs/dbraw/zinc/72/51/43/552725143.db2.gz	LEGCOOOKNSQMJA-KGLIPLIRSA-N	1	0	365.396	1.664	20	30		FDEDRO
N#CCC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)CC1	ZINC000597386318	552782565	/nfs/dbraw/zinc/78/25/65/552782565.db2.gz	OCPGLDJCZMQJSB-LJQANCHMSA-N	1	0	368.481	1.526	20	30		FDEDRO
CC[C@H](C#N)C(=O)N(C)CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O	ZINC000597656984	552818526	/nfs/dbraw/zinc/81/85/26/552818526.db2.gz	OHVTWDITDOWGAO-CQSZACIVSA-N	1	0	356.426	1.223	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000598156188	552869698	/nfs/dbraw/zinc/86/96/98/552869698.db2.gz	JDPAEJLUGLHMDR-SFHVURJKSA-N	1	0	364.453	1.691	20	30		FDEDRO
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cnc(C(F)(F)F)c(C#N)c1	ZINC000598185510	552873713	/nfs/dbraw/zinc/87/37/13/552873713.db2.gz	PLBRWMGUPNWBDB-UHFFFAOYSA-N	1	0	371.363	1.064	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1	ZINC000598342359	552887361	/nfs/dbraw/zinc/88/73/61/552887361.db2.gz	HOFQVTGRHZHQGQ-HNNXBMFYSA-N	1	0	364.471	1.093	20	30		FDEDRO
CC(C)[C@H]1CN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC[NH2+]1	ZINC000598575643	552910750	/nfs/dbraw/zinc/91/07/50/552910750.db2.gz	VJSKXYXRTRYPIL-QGZVFWFLSA-N	1	0	363.483	1.834	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1	ZINC000598602079	552913928	/nfs/dbraw/zinc/91/39/28/552913928.db2.gz	HKVHPVWRZWPIES-CVEARBPZSA-N	1	0	357.520	1.614	20	30		FDEDRO
Cn1cc(CN2C[C@@H](F)C[C@H]2C[N@H+](C)C[C@H](O)CC(C)(C)C#N)cn1	ZINC000598606703	552914621	/nfs/dbraw/zinc/91/46/21/552914621.db2.gz	IUDAGRKFCKXILF-YESZJQIVSA-N	1	0	351.470	1.565	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[N@@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1	ZINC000598625396	552917535	/nfs/dbraw/zinc/91/75/35/552917535.db2.gz	PFRBXGQFEFUPPD-YESZJQIVSA-N	1	0	355.438	1.404	20	30		FDEDRO
COc1cc(OC)cc(N2CC[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C2=O)c1	ZINC000598722280	552928304	/nfs/dbraw/zinc/92/83/04/552928304.db2.gz	ZUYPJMYQOPGYFC-WMLDXEAASA-N	1	0	361.442	1.699	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1	ZINC000598732982	552928775	/nfs/dbraw/zinc/92/87/75/552928775.db2.gz	VSFBPPKZOORKRP-YLJYHZDGSA-N	1	0	352.438	1.413	20	30		FDEDRO
C[NH2+]CCOCCNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000599108307	552968938	/nfs/dbraw/zinc/96/89/38/552968938.db2.gz	WQVJYIIACDUNNF-UHFFFAOYSA-N	1	0	351.350	1.091	20	30		FDEDRO
N#CC1(C[C@@H](O)CN2CC[NH+](CCc3cccs3)CC2)CCOCC1	ZINC000599270375	553010150	/nfs/dbraw/zinc/01/01/50/553010150.db2.gz	IBQYIBQJLOUDSC-QGZVFWFLSA-N	1	0	363.527	1.980	20	30		FDEDRO
CCN1C(=O)N=NC1C1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1	ZINC000599332919	553030102	/nfs/dbraw/zinc/03/01/02/553030102.db2.gz	XXEDMQWBFWKYFR-HNNXBMFYSA-N	1	0	363.462	1.254	20	30		FDEDRO
C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1ccc(-n2ccnn2)cc1	ZINC000599355213	553034973	/nfs/dbraw/zinc/03/49/73/553034973.db2.gz	WBOCAYOBYABVAT-CRAIPNDOSA-N	1	0	355.442	1.989	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1ccc(-n2ccnn2)cc1	ZINC000599355215	553035065	/nfs/dbraw/zinc/03/50/65/553035065.db2.gz	WBOCAYOBYABVAT-QAPCUYQASA-N	1	0	355.442	1.989	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@]2(C1)C(=O)Nc1ccccc12	ZINC000599380133	553040566	/nfs/dbraw/zinc/04/05/66/553040566.db2.gz	BUKDPXZRRJZVFQ-IERDGZPVSA-N	1	0	363.417	1.894	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCOCC1	ZINC000599395752	553044328	/nfs/dbraw/zinc/04/43/28/553044328.db2.gz	KMEACKMKFKHXBB-HNNXBMFYSA-N	1	0	363.418	1.500	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccn1)C[C@@H](O)COc1ccccc1C#N	ZINC000599431874	553055372	/nfs/dbraw/zinc/05/53/72/553055372.db2.gz	RSFBYVHHHOLEKH-LJQANCHMSA-N	1	0	354.454	1.757	20	30		FDEDRO
COC(=O)[C@]1(OC)CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000599570686	553091792	/nfs/dbraw/zinc/09/17/92/553091792.db2.gz	VDLBTWXYSIFRQO-KRWDZBQOSA-N	1	0	365.817	1.804	20	30		FDEDRO
C[NH2+]CCOCCNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	ZINC000599594143	553098479	/nfs/dbraw/zinc/09/84/79/553098479.db2.gz	KFMASHGYZBCPEV-UHFFFAOYSA-N	1	0	359.455	1.963	20	30		FDEDRO
N#Cc1ccc(C2([NH2+]CCn3cc([N+](=O)[O-])ccc3=O)CCOCC2)cc1	ZINC000599634663	553109653	/nfs/dbraw/zinc/10/96/53/553109653.db2.gz	YXWYUGKZPGGOPO-UHFFFAOYSA-N	1	0	368.393	1.924	20	30		FDEDRO
COC(=O)[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2C#N)[C@@H]2CCC[C@H]21	ZINC000599644798	553111549	/nfs/dbraw/zinc/11/15/49/553111549.db2.gz	CBVIGMGYNBTRDF-WNRNVDISSA-N	1	0	358.438	1.962	20	30		FDEDRO
CCC1(N2CCOCC2)CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000599668604	553117813	/nfs/dbraw/zinc/11/78/13/553117813.db2.gz	HSVSTKDOXZWVTF-IBGZPJMESA-N	1	0	373.497	1.875	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)NC[C@@]1(CO)COCC2(CCC2)N1C	ZINC000599729339	553132295	/nfs/dbraw/zinc/13/22/95/553132295.db2.gz	UMDSMEVBSVFLIX-LJQANCHMSA-N	1	0	358.442	1.604	20	30		FDEDRO
N#Cc1ccc(NC(=O)NCC[N@H+]2CC[C@@H](O)C2)cc1Br	ZINC000599790022	553148273	/nfs/dbraw/zinc/14/82/73/553148273.db2.gz	YMAWNYRKWYAHNU-GFCCVEGCSA-N	1	0	353.220	1.509	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)Nc2cc(OC)c(C#N)cc2F)CC1	ZINC000599817069	553154685	/nfs/dbraw/zinc/15/46/85/553154685.db2.gz	HXMQWZUGGCASRR-UHFFFAOYSA-N	1	0	350.394	1.938	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)ccc1F	ZINC000599903460	553171541	/nfs/dbraw/zinc/17/15/41/553171541.db2.gz	FBFROPOWTUXIAV-INIZCTEOSA-N	1	0	374.416	1.253	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c(F)cc1C#N	ZINC000599966194	553188148	/nfs/dbraw/zinc/18/81/48/553188148.db2.gz	VWZZSPGSOXMVEW-ABAIWWIYSA-N	1	0	360.389	1.197	20	30		FDEDRO
CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cc(OC)c(C#N)cc1F	ZINC000599970689	553189071	/nfs/dbraw/zinc/18/90/71/553189071.db2.gz	XHBPHBIICCUNCY-ZDUSSCGKSA-N	1	0	362.405	1.635	20	30		FDEDRO
COc1ccc([C@@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)N2CCOCC2)cc1	ZINC000600714751	553305849	/nfs/dbraw/zinc/30/58/49/553305849.db2.gz	OZKVNUPQVWYCBC-IEBWSBKVSA-N	1	0	359.470	1.713	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]Cc2ccc(CN3CCOCC3)cc2)CCOCC1	ZINC000600714095	553306034	/nfs/dbraw/zinc/30/60/34/553306034.db2.gz	IZOFSLHEOAPYOT-HXUWFJFHSA-N	1	0	373.497	1.680	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]CCNC(=O)c2ccc(Br)cc2)CC1	ZINC000600719397	553306679	/nfs/dbraw/zinc/30/66/79/553306679.db2.gz	KBAWFTYAXVVKST-CQSZACIVSA-N	1	0	366.259	1.823	20	30		FDEDRO
CCNC(=O)c1ccc(C[NH2+]C[C@H](O)COc2ccccc2C#N)cc1	ZINC000600720513	553307084	/nfs/dbraw/zinc/30/70/84/553307084.db2.gz	YZPQQTRFCDIGFK-SFHVURJKSA-N	1	0	353.422	1.837	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@@H]2CCN(c3ccccc3F)C2=O)CCOCC1	ZINC000600723293	553307700	/nfs/dbraw/zinc/30/77/00/553307700.db2.gz	BZWFTKVCQWQTKB-GOEBONIOSA-N	1	0	361.417	1.592	20	30		FDEDRO
CN(C)C1(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)Cc2ccccc2C1	ZINC000600727828	553308016	/nfs/dbraw/zinc/30/80/16/553308016.db2.gz	ZOWOATUTEBYDFC-LJQANCHMSA-N	1	0	357.498	1.747	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+][C@@H]2CCCN(c3ccccc3)C2=O)CCOCC1	ZINC000600729102	553308370	/nfs/dbraw/zinc/30/83/70/553308370.db2.gz	WVYYJUVFGWWZEJ-QZTJIDSGSA-N	1	0	357.454	1.843	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc2c(c1)C(=O)NCC2	ZINC000600735159	553308675	/nfs/dbraw/zinc/30/86/75/553308675.db2.gz	MTWXVTOANCPIBM-KRWDZBQOSA-N	1	0	351.406	1.374	20	30		FDEDRO
CCOC(=O)c1csc(CC[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)n1	ZINC000600734417	553308698	/nfs/dbraw/zinc/30/86/98/553308698.db2.gz	PBEKWLONNHQWJN-ZDUSSCGKSA-N	1	0	367.471	1.523	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)CCOCC1	ZINC000600734124	553308913	/nfs/dbraw/zinc/30/89/13/553308913.db2.gz	DTTKASYWKDZKLI-FGTMMUONSA-N	1	0	363.502	1.829	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)CCOCC1	ZINC000600745027	553310460	/nfs/dbraw/zinc/31/04/60/553310460.db2.gz	QKJJRMOBOPKZKF-UONOGXRCSA-N	1	0	370.396	1.365	20	30		FDEDRO
CNC(=O)CC1(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CCCCC1	ZINC000600747489	553310505	/nfs/dbraw/zinc/31/05/05/553310505.db2.gz	XTCMCVQQPYBKLF-INIZCTEOSA-N	1	0	351.491	1.734	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1	ZINC000600755279	553311526	/nfs/dbraw/zinc/31/15/26/553311526.db2.gz	BGOJGZKGHHBURQ-LSDHHAIUSA-N	1	0	354.857	1.854	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1CN(c2ccc(Cl)cc2)CCO1	ZINC000600755936	553311859	/nfs/dbraw/zinc/31/18/59/553311859.db2.gz	QFXWQNVMERGZJB-MSOLQXFVSA-N	1	0	366.893	1.341	20	30		FDEDRO
N#Cc1ccccc1OCc1cccc(C(=O)NCC[N@H+]2CC[C@H](O)C2)c1	ZINC000600807450	553316874	/nfs/dbraw/zinc/31/68/74/553316874.db2.gz	DAULQZHYCOBGJJ-IBGZPJMESA-N	1	0	365.433	1.934	20	30		FDEDRO
N#Cc1ccccc1COc1ccc(C(=O)NCC[N@H+]2CC[C@H](O)C2)cc1	ZINC000600808661	553317228	/nfs/dbraw/zinc/31/72/28/553317228.db2.gz	OKLHPYJHRYGADF-IBGZPJMESA-N	1	0	365.433	1.934	20	30		FDEDRO
COCCn1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cn1	ZINC000601019571	553339920	/nfs/dbraw/zinc/33/99/20/553339920.db2.gz	KWQOVVRYAVYMPV-UHFFFAOYSA-N	1	0	355.442	1.605	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CCNC(=O)c1cc2ccccc2[nH]1	ZINC000601016807	553339948	/nfs/dbraw/zinc/33/99/48/553339948.db2.gz	RJIYFCQDXHSWID-UHFFFAOYSA-N	1	0	369.469	1.982	20	30		FDEDRO
COCC[N@H+](C)CCN1C[C@@H](Nc2ncc(C#N)c3ccsc32)CC1=O	ZINC000601178621	553356669	/nfs/dbraw/zinc/35/66/69/553356669.db2.gz	VSPVJDXMSSEUDI-AWEZNQCLSA-N	1	0	373.482	1.759	20	30		FDEDRO
Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCN(c2cc[nH+]cc2)CC1	ZINC000601292644	553369988	/nfs/dbraw/zinc/36/99/88/553369988.db2.gz	RKGUWVWYDDFTPZ-UHFFFAOYSA-N	1	0	360.414	1.912	20	30		FDEDRO
N#CCc1ccccc1S(=O)(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000601341919	553379971	/nfs/dbraw/zinc/37/99/71/553379971.db2.gz	LVKGUEIZANBMHU-ULQDDVLXSA-N	1	0	363.483	1.660	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2ccccc2CC#N)C1	ZINC000601363323	553385960	/nfs/dbraw/zinc/38/59/60/553385960.db2.gz	MWZFDOQZNZXEJW-QGZVFWFLSA-N	1	0	365.499	1.874	20	30		FDEDRO
CON1CCC(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CC1	ZINC000601412865	553398348	/nfs/dbraw/zinc/39/83/48/553398348.db2.gz	PQENUEQDDQMIAT-UHFFFAOYSA-N	1	0	356.470	1.934	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(CCC#N)CC1)[N@@H+]1CCc2ccccc2C1	ZINC000601554369	553434961	/nfs/dbraw/zinc/43/49/61/553434961.db2.gz	WJVLDABIGLYFQS-KRWDZBQOSA-N	1	0	355.486	1.674	20	30		FDEDRO
Cc1ccc([C@H](CNC(=O)N2CCN(CCC#N)CC2)[NH+]2CCCC2)o1	ZINC000601569254	553437181	/nfs/dbraw/zinc/43/71/81/553437181.db2.gz	YVNAJFFQDQBQEB-KRWDZBQOSA-N	1	0	359.474	1.966	20	30		FDEDRO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000601576971	553438805	/nfs/dbraw/zinc/43/88/05/553438805.db2.gz	ZIXNMTFOLFTFBP-MELADBBJSA-N	1	0	358.467	1.840	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12	ZINC000601970655	553497466	/nfs/dbraw/zinc/49/74/66/553497466.db2.gz	XLXSHQWRTYZRDP-QMCVQRASSA-N	1	0	364.287	1.883	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H]3CCCS(=O)(=O)CC3)C2=O)cc1	ZINC000602014180	553501691	/nfs/dbraw/zinc/50/16/91/553501691.db2.gz	CCSQNLYCAWDTCP-NVXWUHKLSA-N	1	0	361.467	1.611	20	30		FDEDRO
CC[NH+](CC)CCN(CCOC)C(=O)C(=O)Nc1cc(F)cc(C#N)c1	ZINC000602023853	553502815	/nfs/dbraw/zinc/50/28/15/553502815.db2.gz	LSCDMVZVDSQTFR-UHFFFAOYSA-N	1	0	364.421	1.453	20	30		FDEDRO
C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2cc(F)cc(C#N)c2)CCSC1	ZINC000602030926	553504404	/nfs/dbraw/zinc/50/44/04/553504404.db2.gz	QKQHMXNPAASCAB-MRXNPFEDSA-N	1	0	350.419	1.189	20	30		FDEDRO
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1	ZINC000602043640	553506722	/nfs/dbraw/zinc/50/67/22/553506722.db2.gz	SCAPYMUPWZAXCI-LJQANCHMSA-N	1	0	370.497	1.754	20	30		FDEDRO
C[C@H](C#N)CN(C(=O)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)C1CC1	ZINC000602044316	553507058	/nfs/dbraw/zinc/50/70/58/553507058.db2.gz	HNSJFQJBUCNSKQ-CYBMUJFWSA-N	1	0	358.446	1.239	20	30		FDEDRO
C[C@@H](C#N)CN(C(=O)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)C1CC1	ZINC000602044321	553507140	/nfs/dbraw/zinc/50/71/40/553507140.db2.gz	HNSJFQJBUCNSKQ-ZDUSSCGKSA-N	1	0	358.446	1.239	20	30		FDEDRO
N#CC[C@]1(O)CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)C1	ZINC000602169397	553532930	/nfs/dbraw/zinc/53/29/30/553532930.db2.gz	YKZRIZUFAGNMAO-TYPHKJRUSA-N	1	0	369.465	1.402	20	30		FDEDRO
C[NH+](C)[C@@H]1C[C@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1(C)C	ZINC000602169705	553533164	/nfs/dbraw/zinc/53/31/64/553533164.db2.gz	GTYSKZCLKYKJCT-JKSUJKDBSA-N	1	0	352.442	1.785	20	30		FDEDRO
N#Cc1cnn(-c2ccc(C(=O)N[C@H]3C[C@@H]([NH+]4CCCC4)C3)cc2)c1N	ZINC000602175560	553534004	/nfs/dbraw/zinc/53/40/04/553534004.db2.gz	YYZCBGRYEVYLKF-WOVMCDHWSA-N	1	0	350.426	1.683	20	30		FDEDRO
CC1([NH+]2CCCC2)CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1	ZINC000602248278	553548132	/nfs/dbraw/zinc/54/81/32/553548132.db2.gz	YGZJYLBZZAXQMW-UHFFFAOYSA-N	1	0	372.444	1.790	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N1CC[C@](O)(CC#N)C1	ZINC000602389503	553574415	/nfs/dbraw/zinc/57/44/15/553574415.db2.gz	RHLHINXKRIUJGD-IMFGXOCKSA-N	1	0	356.470	1.815	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O	ZINC000602544117	553603289	/nfs/dbraw/zinc/60/32/89/553603289.db2.gz	HSNNVYIUCONOEO-OLZOCXBDSA-N	1	0	352.797	1.722	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1	ZINC000602574748	553606942	/nfs/dbraw/zinc/60/69/42/553606942.db2.gz	MQJATYWJJOFCHL-QAPCUYQASA-N	1	0	357.454	1.943	20	30		FDEDRO
CN(C(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F)[C@H]1CCC[C@@H]1C#N	ZINC000602603525	553610940	/nfs/dbraw/zinc/61/09/40/553610940.db2.gz	UBUZALQACQDENI-PWSUYJOCSA-N	1	0	352.389	1.904	20	30		FDEDRO
COCCc1ccc(OC[C@H](O)C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)cc1	ZINC000602849077	553650626	/nfs/dbraw/zinc/65/06/26/553650626.db2.gz	JRLACWYENLHAOW-JENIJYKNSA-N	1	0	361.486	1.533	20	30		FDEDRO
C[NH+](C)C[C@@]1(O)CCCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000602876175	553657134	/nfs/dbraw/zinc/65/71/34/553657134.db2.gz	FQGNSNCGVCAUQX-QUCCMNQESA-N	1	0	356.470	1.442	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[N@H+](CCN1CCOCC1)[C@H]1CCSC1	ZINC000602881265	553658861	/nfs/dbraw/zinc/65/88/61/553658861.db2.gz	LCIKQKULOLPRMI-SJORKVTESA-N	1	0	368.547	1.134	20	30		FDEDRO
Cc1cc(NC(=O)N2C[C@@H](C)N(CC#N)[C@@H](C)C2)n(C2CC[NH+](C)CC2)n1	ZINC000602885874	553660075	/nfs/dbraw/zinc/66/00/75/553660075.db2.gz	YIVIKEBPXQVFAK-IYBDPMFKSA-N	1	0	373.505	1.908	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@H](n4ccnn4)CC3)C2=O)cc1	ZINC000602887598	553660482	/nfs/dbraw/zinc/66/04/82/553660482.db2.gz	IAZUJQJQTUFUAJ-ZWKOTPCHSA-N	1	0	350.426	1.982	20	30		FDEDRO
C[C@@]1(CO)C[C@@H](O)CN1CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000602905450	553665839	/nfs/dbraw/zinc/66/58/39/553665839.db2.gz	GEKOIGYPDHGXKI-WBVHZDCISA-N	1	0	351.834	1.404	20	30		FDEDRO
C[NH+](C)C[C@H]1COC2(CCCC2)CN1C[C@H](O)COc1ccc(C#N)cc1	ZINC000602912839	553667511	/nfs/dbraw/zinc/66/75/11/553667511.db2.gz	LOAMFJWHPBXCLL-OALUTQOASA-N	1	0	373.497	1.873	20	30		FDEDRO
C[C@@]12C[NH+](Cc3ccc(C#N)cc3Br)C[C@@]1(C)C(=O)NC2=O	ZINC000602936205	553673708	/nfs/dbraw/zinc/67/37/08/553673708.db2.gz	OBQKZQYOHUFNCM-HOTGVXAUSA-N	1	0	362.227	1.805	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@](COC)(C(=O)OC(C)(C)C)C1	ZINC000602960824	553681302	/nfs/dbraw/zinc/68/13/02/553681302.db2.gz	IUSNBFRNBHTJNL-KXBFYZLASA-N	1	0	367.490	1.675	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H](N2C[C@@H](CO)[C@H](C(F)(F)F)C2)C1=O	ZINC000602987607	553686980	/nfs/dbraw/zinc/68/69/80/553686980.db2.gz	LWYCKPCIHDPCQW-TUAOUCFPSA-N	1	0	359.373	1.828	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Nc1cc(F)cc(C#N)c1	ZINC000603083298	553706763	/nfs/dbraw/zinc/70/67/63/553706763.db2.gz	YWVFNRAZYQZUOR-MRXNPFEDSA-N	1	0	361.421	1.762	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)Cn2cc(CC[NH+](C)C)nn2)cc1	ZINC000603173058	553721494	/nfs/dbraw/zinc/72/14/94/553721494.db2.gz	KZPYDUKTPARIMO-UHFFFAOYSA-N	1	0	370.457	1.728	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(c2c(C#N)cnn2-c2ccccc2)CC1	ZINC000603287064	553754757	/nfs/dbraw/zinc/75/47/57/553754757.db2.gz	CPRCECTXPSYVKY-UHFFFAOYSA-N	1	0	366.469	1.734	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH+]3CCCC3)CC2)c(CS(N)(=O)=O)c1	ZINC000603294338	553757237	/nfs/dbraw/zinc/75/72/37/553757237.db2.gz	HDNPOGPLRIEVRC-KRWDZBQOSA-N	1	0	362.499	1.801	20	30		FDEDRO
CN(CCCN1CC[NH+](C)CC1)c1cc(C#N)c(Br)cn1	ZINC000603303495	553759855	/nfs/dbraw/zinc/75/98/55/553759855.db2.gz	LYEVGMIMZGZIMR-UHFFFAOYSA-N	1	0	352.280	1.789	20	30		FDEDRO
C[N@@H+]1CCCN(CCCNS(=O)(=O)Cc2ccc(C#N)cc2F)CC1	ZINC000603404532	553780859	/nfs/dbraw/zinc/78/08/59/553780859.db2.gz	WIXWUHNZOPFXLM-UHFFFAOYSA-N	1	0	368.478	1.144	20	30		FDEDRO
Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000603413390	553782541	/nfs/dbraw/zinc/78/25/41/553782541.db2.gz	WROVIGZWNONPDC-GOSISDBHSA-N	1	0	356.470	1.393	20	30		FDEDRO
N#Cc1ccc([N+](=O)[O-])c(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)c1	ZINC000603422440	553784272	/nfs/dbraw/zinc/78/42/72/553784272.db2.gz	HHLAEDUQXSMEAE-INIZCTEOSA-N	1	0	359.430	1.675	20	30		FDEDRO
CCc1nnc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)c(C#N)c1CC	ZINC000603422315	553784303	/nfs/dbraw/zinc/78/43/03/553784303.db2.gz	FZYJAEAQSZBKDI-INIZCTEOSA-N	1	0	372.517	1.682	20	30		FDEDRO
N#Cc1cccc([N+](=O)[O-])c1N[C@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000603422777	553784758	/nfs/dbraw/zinc/78/47/58/553784758.db2.gz	IRFNRHHEXJDPPD-INIZCTEOSA-N	1	0	359.430	1.675	20	30		FDEDRO
N#CC[C@H]1CCCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1	ZINC000603436578	553788415	/nfs/dbraw/zinc/78/84/15/553788415.db2.gz	NCVYXTBXVNVNLA-MSOLQXFVSA-N	1	0	363.506	1.118	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@H](C(=O)N(C)C)C2)CC1	ZINC000604112562	553842825	/nfs/dbraw/zinc/84/28/25/553842825.db2.gz	YLOMBTJUBVFCQX-DOTOQJQBSA-N	1	0	350.507	1.973	20	30		FDEDRO
C[C@@H]1CN(C[C@@H](O)C[N@@H+]2CCCN(c3ccccc3C#N)CC2)C[C@H](C)O1	ZINC000604416343	553875841	/nfs/dbraw/zinc/87/58/41/553875841.db2.gz	UQGLQAPIZVZIRF-NSHGMRRFSA-N	1	0	372.513	1.540	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1	ZINC000604506487	553882759	/nfs/dbraw/zinc/88/27/59/553882759.db2.gz	ZPMLHPSTSDCGHB-QGZVFWFLSA-N	1	0	370.453	1.519	20	30		FDEDRO
CCCNC(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000604522132	553884162	/nfs/dbraw/zinc/88/41/62/553884162.db2.gz	WWXWBGHRCYWPPQ-ZWKOTPCHSA-N	1	0	359.470	1.731	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1	ZINC000607180109	554130502	/nfs/dbraw/zinc/13/05/02/554130502.db2.gz	IOGRJKRSMWUYKP-JKSUJKDBSA-N	1	0	357.520	1.682	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H](NC(=O)CCc2c(C)nn(CCC#N)c2C)C1	ZINC000609269161	554354115	/nfs/dbraw/zinc/35/41/15/554354115.db2.gz	MJEDLSRLUCDVLC-KRWDZBQOSA-N	1	0	361.490	1.573	20	30		FDEDRO
CC[NH+]1CCN(c2ccccc2NC(=O)NC2CCN(CC#N)CC2)CC1	ZINC000609335327	554367498	/nfs/dbraw/zinc/36/74/98/554367498.db2.gz	OXFJHJNYPKCQMF-UHFFFAOYSA-N	1	0	370.501	1.938	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC1	ZINC000609582958	554397047	/nfs/dbraw/zinc/39/70/47/554397047.db2.gz	FNOGFODMYHIYGQ-FXAWDEMLSA-N	1	0	369.513	1.669	20	30		FDEDRO
CC[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000609833913	554426272	/nfs/dbraw/zinc/42/62/72/554426272.db2.gz	ZXZDNYNDVPILCY-INIZCTEOSA-N	1	0	352.442	1.930	20	30		FDEDRO
COCCNC(=O)C1CC[NH+](CCOc2ccc(C#N)cc2OC)CC1	ZINC000610132306	554465912	/nfs/dbraw/zinc/46/59/12/554465912.db2.gz	SPMCRCMKIBVOTM-UHFFFAOYSA-N	1	0	361.442	1.420	20	30		FDEDRO
CC(C)[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1F)N1CC[NH+](C)CC1	ZINC000610266008	554484612	/nfs/dbraw/zinc/48/46/12/554484612.db2.gz	DOERTRIKAKVCLG-MRXNPFEDSA-N	1	0	368.478	1.248	20	30		FDEDRO
C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)N1CCN(c2ncccn2)CC1	ZINC000610346222	554494223	/nfs/dbraw/zinc/49/42/23/554494223.db2.gz	PBIAJSCGQTZQNL-HOTGVXAUSA-N	1	0	364.453	1.736	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(Cc3nnc(-c4cccc(C#N)c4)o3)C2)CC1	ZINC000610369433	554496214	/nfs/dbraw/zinc/49/62/14/554496214.db2.gz	LQQNTFXNMKGLBS-GOSISDBHSA-N	1	0	366.469	1.820	20	30		FDEDRO
C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NC2CCN(CC#N)CC2)C1	ZINC000610402347	554500717	/nfs/dbraw/zinc/50/07/17/554500717.db2.gz	HYCDVKJBIOGDMR-IBGZPJMESA-N	1	0	355.486	1.890	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)NC2CCN(CC#N)CC2)C[N@@H+]1Cc1ccccc1	ZINC000610707191	554552697	/nfs/dbraw/zinc/55/26/97/554552697.db2.gz	DFUKLFOCVKTQKP-VQIMIIECSA-N	1	0	355.486	1.937	20	30		FDEDRO
CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000610722250	554554203	/nfs/dbraw/zinc/55/42/03/554554203.db2.gz	ZOBOMHCLMUKTFI-QGZVFWFLSA-N	1	0	356.474	1.659	20	30		FDEDRO
COC(=O)c1cnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cn1	ZINC000610781656	554561792	/nfs/dbraw/zinc/56/17/92/554561792.db2.gz	RXYCJDITBSVINB-UHFFFAOYSA-N	1	0	351.410	1.847	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(C[C@@H](O)COc3ccc(CC#N)cc3)CC2)C1	ZINC000610988665	554591221	/nfs/dbraw/zinc/59/12/21/554591221.db2.gz	JSYIIZKITCDZOP-VQTJNVASSA-N	1	0	372.513	1.204	20	30		FDEDRO
COCC[N@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)C1CCCC1	ZINC000611371260	554629332	/nfs/dbraw/zinc/62/93/32/554629332.db2.gz	UIZCZQLATVNKFT-GOSISDBHSA-N	1	0	350.507	1.570	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](n3ccnc3)C2)CC1	ZINC000611371597	554629369	/nfs/dbraw/zinc/62/93/69/554629369.db2.gz	CMOUKDZTDABCCS-QZTJIDSGSA-N	1	0	358.490	1.212	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)NCc1ccc(OCC(N)=O)cc1)c1cccc(C#N)c1	ZINC000611386794	554630627	/nfs/dbraw/zinc/63/06/27/554630627.db2.gz	AAFCXAUXHMWFPJ-AWEZNQCLSA-N	1	0	366.421	1.389	20	30		FDEDRO
CN(CCC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)S(C)(=O)=O	ZINC000611497716	554638253	/nfs/dbraw/zinc/63/82/53/554638253.db2.gz	YIRGTEULKJEABV-UHFFFAOYSA-N	1	0	361.471	1.330	20	30		FDEDRO
N#Cc1ccc(NCC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1	ZINC000611678487	554663972	/nfs/dbraw/zinc/66/39/72/554663972.db2.gz	MCKSZLDLIWAFLR-FQEVSTJZSA-N	1	0	364.449	1.853	20	30		FDEDRO
COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCC[C@@](C)(C#N)C1	ZINC000612272683	554756971	/nfs/dbraw/zinc/75/69/71/554756971.db2.gz	WIMRGMIRANGOPD-IBGZPJMESA-N	1	0	358.442	1.848	20	30		FDEDRO
CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2cccc(C#N)n2)CC1	ZINC000612840909	554848968	/nfs/dbraw/zinc/84/89/68/554848968.db2.gz	QTPGGVMKVYMEGF-INIZCTEOSA-N	1	0	356.474	1.659	20	30		FDEDRO
C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1	ZINC000613051341	554875996	/nfs/dbraw/zinc/87/59/96/554875996.db2.gz	AJBTYFVVJWRERQ-LJQANCHMSA-N	1	0	367.409	1.934	20	30		FDEDRO
CNC(=O)N[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000613500877	554932212	/nfs/dbraw/zinc/93/22/12/554932212.db2.gz	ZNGCRPXLWGSHJW-LLVKDONJSA-N	1	0	361.471	1.440	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000613720127	554959008	/nfs/dbraw/zinc/95/90/08/554959008.db2.gz	NYMOWWNONGMTSE-TZIWHRDSSA-N	1	0	373.497	1.553	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1Cl	ZINC000614622439	555081891	/nfs/dbraw/zinc/08/18/91/555081891.db2.gz	PORVBKHVJSTEJA-MRXNPFEDSA-N	1	0	362.861	1.348	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)c1	ZINC000614639133	555085917	/nfs/dbraw/zinc/08/59/17/555085917.db2.gz	XJFPXSKZUBCDBQ-UHFFFAOYSA-N	1	0	351.472	1.317	20	30		FDEDRO
COCCN(CCC#N)C(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1OC	ZINC000615254992	555179344	/nfs/dbraw/zinc/17/93/44/555179344.db2.gz	UXMPLBRENSNTRE-UHFFFAOYSA-N	1	0	362.430	1.084	20	30		FDEDRO
CC(C)NC(=O)CN1CCN(c2cccc(Br)c2C#N)CC1	ZINC000615277632	555185760	/nfs/dbraw/zinc/18/57/60/555185760.db2.gz	QQRRLAVILRECBS-UHFFFAOYSA-N	1	0	365.275	1.967	20	30		FDEDRO
C[NH+]1CCN(C(C)(C)CNC(=O)Nc2ncccc2OCCCC#N)CC1	ZINC000615554661	555213435	/nfs/dbraw/zinc/21/34/35/555213435.db2.gz	ZAWRNGGHEMCQQP-UHFFFAOYSA-N	1	0	374.489	1.912	20	30		FDEDRO
Cc1ccc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)c(OCC[NH+](C)C)c1	ZINC000615634172	555223370	/nfs/dbraw/zinc/22/33/70/555223370.db2.gz	VZGUTVIJACUQFH-GOSISDBHSA-N	1	0	362.405	1.338	20	30		FDEDRO
COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CC[C@@](F)(C#N)C3)CC2)cc1	ZINC000615646872	555224916	/nfs/dbraw/zinc/22/49/16/555224916.db2.gz	WRHPPPDZSUMNMG-HXUWFJFHSA-N	1	0	374.460	1.667	20	30		FDEDRO
CCC(=O)N1CCC([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000617098427	555385499	/nfs/dbraw/zinc/38/54/99/555385499.db2.gz	XQCQLHFYKJNBJB-SFHVURJKSA-N	1	0	354.454	1.650	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H]3CCc4cc(C#N)ccc43)C2)CC1	ZINC000618852286	555688777	/nfs/dbraw/zinc/68/87/77/555688777.db2.gz	DOZRGKHTLMTMRC-UYAOXDASSA-N	1	0	367.497	1.967	20	30		FDEDRO
C[N@H+](CCN1CCOC(C)(C)C1)C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000619052029	555717295	/nfs/dbraw/zinc/71/72/95/555717295.db2.gz	BIBSCVVDHYHREZ-GOSISDBHSA-N	1	0	361.486	1.535	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNS(=O)(=O)c2cccc(CC#N)c2)CCCO1	ZINC000619499621	555790338	/nfs/dbraw/zinc/79/03/38/555790338.db2.gz	BTJHKAOBTAAGQK-HNNXBMFYSA-N	1	0	351.472	1.532	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)n1cnc(C#N)n1	ZINC000619598404	555806409	/nfs/dbraw/zinc/80/64/09/555806409.db2.gz	MPDLLPDQSUCLOQ-HNNXBMFYSA-N	1	0	367.457	1.871	20	30		FDEDRO
C[C@@H](C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)n1cnc(C#N)n1	ZINC000619613972	555809280	/nfs/dbraw/zinc/80/92/80/555809280.db2.gz	BQJQGJMGVFYUHH-XHSDSOJGSA-N	1	0	374.489	1.449	20	30		FDEDRO
C=CCn1c(-c2cn[nH]c2)nnc1N1CC[NH+](CC2CCOCC2)CC1	ZINC000624852502	556655477	/nfs/dbraw/zinc/65/54/77/556655477.db2.gz	WNFOCQFHIHJPHH-UHFFFAOYSA-N	1	0	357.462	1.403	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[NH2+][C@@H](C1CC1)[C@@]1(CO)CCCO1	ZINC000625449374	556810178	/nfs/dbraw/zinc/81/01/78/556810178.db2.gz	BTMFOUCDBATDSP-RXVVDRJESA-N	1	0	368.433	1.196	20	30		FDEDRO
C[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)[C@H](CO)Cc1ccccc1	ZINC000625529514	556843034	/nfs/dbraw/zinc/84/30/34/556843034.db2.gz	ZCQBGEHYLBYRSL-SFHVURJKSA-N	1	0	362.429	1.821	20	30		FDEDRO
CC(=O)c1cccc(C#N)c1OCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1	ZINC000631027528	557968945	/nfs/dbraw/zinc/96/89/45/557968945.db2.gz	AYIRXQFBTVQMSI-QGZVFWFLSA-N	1	0	373.453	1.613	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H]4C[NH2+]CC[C@H]43)cc2C1=O	ZINC000632857570	558225776	/nfs/dbraw/zinc/22/57/76/558225776.db2.gz	VBFGESKNXJKDTB-RHSMWYFYSA-N	1	0	353.422	1.683	20	30		FDEDRO
C=CCn1c(COCCOC)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1	ZINC000634339751	558452545	/nfs/dbraw/zinc/45/25/45/558452545.db2.gz	PXYOUENTBDKDQU-KRWDZBQOSA-N	1	0	363.506	1.939	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1	ZINC000636726341	567977542	/nfs/dbraw/zinc/97/75/42/567977542.db2.gz	NNPBDJJJSALGMT-WMZOPIPTSA-N	1	0	374.485	1.260	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1	ZINC000636724999	567978556	/nfs/dbraw/zinc/97/85/56/567978556.db2.gz	AVGDJGAQHHMYTF-MRXNPFEDSA-N	1	0	351.491	1.561	20	30		FDEDRO
CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000482182171	568302556	/nfs/dbraw/zinc/30/25/56/568302556.db2.gz	PPKXBNLDBKOHTE-ZIAGYGMSSA-N	1	0	366.487	1.072	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)nc1)C(C)C	ZINC000735418535	599032705	/nfs/dbraw/zinc/03/27/05/599032705.db2.gz	FCMYLSWXDHECJE-MRXNPFEDSA-N	1	0	355.446	1.690	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000735425801	598390068	/nfs/dbraw/zinc/39/00/68/598390068.db2.gz	HMQUZPYRIIGQMI-CYBMUJFWSA-N	1	0	355.446	1.877	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1	ZINC000272611796	674461174	/nfs/dbraw/zinc/46/11/74/674461174.db2.gz	KNORWFHHTHWTTP-WMLDXEAASA-N	1	0	363.483	1.317	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NCCc1cn2cc(Br)cc(C)c2n1	ZINC000273489076	674542157	/nfs/dbraw/zinc/54/21/57/674542157.db2.gz	MVNIVKLYESEPDI-LLVKDONJSA-N	1	0	368.279	1.887	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1COC(=O)[C@H](C)Oc1ccc(-c2nn[nH]n2)cc1	ZINC000823849828	607923979	/nfs/dbraw/zinc/92/39/79/607923979.db2.gz	ANCURXMNAVEJBP-ZFWWWQNUSA-N	1	0	355.398	1.275	20	30		FDEDRO
C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C[N@@H+](C)[C@H]1CCSC1	ZINC000823909969	608119962	/nfs/dbraw/zinc/11/99/62/608119962.db2.gz	UPBJPGRDJNFUHZ-INIZCTEOSA-N	1	0	372.498	1.819	20	30		FDEDRO
CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc(C#N)c(C)c2)CC1	ZINC000278053467	675085651	/nfs/dbraw/zinc/08/56/51/675085651.db2.gz	RSIIIXKMIGHAKE-HNNXBMFYSA-N	1	0	364.515	1.419	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1	ZINC000007552374	670552888	/nfs/dbraw/zinc/55/28/88/670552888.db2.gz	UJPRGPITHTYOJH-AWEZNQCLSA-N	1	0	351.472	1.117	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)CC[NH+](C)C)cc1	ZINC000278607282	675160081	/nfs/dbraw/zinc/16/00/81/675160081.db2.gz	MIDYSVGMQVBEGM-QWHCGFSZSA-N	1	0	352.460	1.834	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)CC(C)C)cc1	ZINC000058884528	671283305	/nfs/dbraw/zinc/28/33/05/671283305.db2.gz	QTIJWRPIUZSSCW-UHFFFAOYSA-N	1	0	365.499	1.258	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)Cc2cnc(C)s2)CC1	ZINC000286828902	675907484	/nfs/dbraw/zinc/90/74/84/675907484.db2.gz	XBFFISIDNHBVJP-UHFFFAOYSA-N	1	0	350.488	1.567	20	30		FDEDRO
CC[NH+]=C(NCC1CCN(C(C)=O)CC1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	ZINC000086793907	671484337	/nfs/dbraw/zinc/48/43/37/671484337.db2.gz	PYFODBUEFAINTC-BBWFWOEESA-N	1	0	350.507	1.614	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NCCNC(=[NH2+])NC2CCCCCC2)cc1	ZINC000092277128	671515692	/nfs/dbraw/zinc/51/56/92/671515692.db2.gz	KGOGFOJZAPNBCS-UHFFFAOYSA-N	1	0	352.504	1.900	20	30		FDEDRO
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1[C@@H](CO)CC[C@@H]1CO	ZINC000287581241	675918136	/nfs/dbraw/zinc/91/81/36/675918136.db2.gz	XWUDHDYPONYFCY-RBSFLKMASA-N	1	0	363.483	1.837	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC[NH+]2CCCCC2)cc1	ZINC000287487546	675917356	/nfs/dbraw/zinc/91/73/56/675917356.db2.gz	ZKIPXPICIGUQRO-AWEZNQCLSA-N	1	0	364.471	1.980	20	30		FDEDRO
C[NH+]=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)NC(C)(C)C	ZINC000103895320	671593307	/nfs/dbraw/zinc/59/33/07/671593307.db2.gz	XIIBLAUZTBQXOX-UHFFFAOYSA-N	1	0	374.532	1.233	20	30		FDEDRO
CCOCCCNC(=[NH2+])NCCN1CCN(c2ccc(F)cc2)CC1	ZINC000104170708	671594596	/nfs/dbraw/zinc/59/45/96/671594596.db2.gz	OFKSKKMKFOYNDM-UHFFFAOYSA-N	1	0	351.470	1.279	20	30		FDEDRO
C[C@H]1CCCN(C(=[NH2+])NCCN2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000104175036	671594676	/nfs/dbraw/zinc/59/46/76/671594676.db2.gz	YNPINKQEEATFAW-HNNXBMFYSA-N	1	0	353.511	1.586	20	30		FDEDRO
CN(C)S(=O)(=O)c1cccc(CON=C(N)C[NH+]2CCCCCC2)c1	ZINC000106437678	671607007	/nfs/dbraw/zinc/60/70/07/671607007.db2.gz	MCTYDSHGACQKGK-UHFFFAOYSA-N	1	0	368.503	1.602	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1sccc1S(=O)(=O)N(C)C	ZINC000121296378	671702597	/nfs/dbraw/zinc/70/25/97/671702597.db2.gz	UUSKGLNVQRSSEK-CYBMUJFWSA-N	1	0	372.512	1.889	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)CN(C)S(=O)(=O)c1ccccc1	ZINC000121691697	671708870	/nfs/dbraw/zinc/70/88/70/671708870.db2.gz	HKAGILBQJCUTHE-MRXNPFEDSA-N	1	0	366.483	1.584	20	30		FDEDRO
C#CCOc1ccc(C[NH2+]CCNS(=O)(=O)c2cccs2)cc1	ZINC000122188087	671714163	/nfs/dbraw/zinc/71/41/63/671714163.db2.gz	JUFZTEPGOHOQBR-UHFFFAOYSA-N	1	0	350.465	1.828	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)c1ccccc1)N1CCSC(C)(C)C1	ZINC000126222419	671757213	/nfs/dbraw/zinc/75/72/13/671757213.db2.gz	LJQMIHUMCPEJBH-UHFFFAOYSA-N	1	0	355.529	1.863	20	30		FDEDRO
CC[C@@H]([NH3+])C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1	ZINC000129417089	671785921	/nfs/dbraw/zinc/78/59/21/671785921.db2.gz	HYSUTIZOKAHHMD-MPUISCFQSA-N	1	0	366.487	1.955	20	30		FDEDRO
CCOCCCNC(=[NH2+])NCCNS(=O)(=O)c1ccc(Cl)s1	ZINC000130678538	671796635	/nfs/dbraw/zinc/79/66/35/671796635.db2.gz	JXQJALYREVVYLK-UHFFFAOYSA-N	1	0	368.912	1.011	20	30		FDEDRO
[NH2+]=C(NCCc1cccs1)NC[C@H](O)CS(=O)(=O)c1cccs1	ZINC000130780461	671797717	/nfs/dbraw/zinc/79/77/17/671797717.db2.gz	QCMGSAVAZFSRTL-NSHDSACASA-N	1	0	373.525	1.091	20	30		FDEDRO
CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=[NH2+])NC[C@@H]1CCCN1CC	ZINC000130860179	671798402	/nfs/dbraw/zinc/79/84/02/671798402.db2.gz	DVLRPRFXWZUUQP-HOTGVXAUSA-N	1	0	366.531	1.628	20	30		FDEDRO
CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)cc1	ZINC000134109170	671826139	/nfs/dbraw/zinc/82/61/39/671826139.db2.gz	XZRCVSSOXFHXKL-BBRMVZONSA-N	1	0	368.503	1.918	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)ccc1F	ZINC000153217797	671898160	/nfs/dbraw/zinc/89/81/60/671898160.db2.gz	VVGLWAXUUABPET-TXEJJXNPSA-N	1	0	355.435	1.112	20	30		FDEDRO
C[NH+]=C(NCc1c(C)noc1C)NC[C@@]1(N2CCOCC2)CCSC1	ZINC000156625137	671958228	/nfs/dbraw/zinc/95/82/28/671958228.db2.gz	RKRKAJIOYNZJTJ-KRWDZBQOSA-N	1	0	367.519	1.164	20	30		FDEDRO
CC[NH+]=C(NCCc1ccc(OC)cc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158634196	671981751	/nfs/dbraw/zinc/98/17/51/671981751.db2.gz	GSHGUOISNXHHIR-UHFFFAOYSA-N	1	0	367.515	1.712	20	30		FDEDRO
C#CCOc1ccc(C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cc1	ZINC000159427012	671991273	/nfs/dbraw/zinc/99/12/73/671991273.db2.gz	ANWOTOLLCGYMOD-KRWDZBQOSA-N	1	0	350.484	1.992	20	30		FDEDRO
CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CCN(c2ncccc2Cl)C1	ZINC000185537744	672260815	/nfs/dbraw/zinc/26/08/15/672260815.db2.gz	QHBJDGXODBGUEG-CYBMUJFWSA-N	1	0	366.897	1.346	20	30		FDEDRO
CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000189812126	672314795	/nfs/dbraw/zinc/31/47/95/672314795.db2.gz	KXGPSKJWDZOVBE-UHFFFAOYSA-N	1	0	350.394	1.467	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N(C)C2CC[NH+](C)CC2)ccc1F	ZINC000192914000	672361027	/nfs/dbraw/zinc/36/10/27/672361027.db2.gz	STANNRACTFGEIL-UHFFFAOYSA-N	1	0	369.462	1.456	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(C)C2CCC([NH3+])CC2)c1	ZINC000237237316	672421744	/nfs/dbraw/zinc/42/17/44/672421744.db2.gz	UPNXMEQKQYRKAA-UHFFFAOYSA-N	1	0	351.472	1.493	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C[NH3+])C2CCCCC2)cc1	ZINC000238091261	672433603	/nfs/dbraw/zinc/43/36/03/672433603.db2.gz	NKJDSCHKYHDUCU-QGZVFWFLSA-N	1	0	365.499	1.788	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC2(C#N)CCSCC2)CC1=O	ZINC000245947023	672475192	/nfs/dbraw/zinc/47/51/92/672475192.db2.gz	UTJYSUZPEZNUOH-GJZGRUSLSA-N	1	0	364.515	1.225	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]2CCCC[NH2+]2)c1	ZINC000255329619	672615520	/nfs/dbraw/zinc/61/55/20/672615520.db2.gz	SUBZCKHTEXZHGT-MPUISCFQSA-N	1	0	364.471	1.580	20	30		FDEDRO
CC[NH+]=C(NC[C@H]1CCCO1)N1CCN(c2nc(CC)ns2)CC1	ZINC000261665654	672646472	/nfs/dbraw/zinc/64/64/72/672646472.db2.gz	BKACMAABPMOPQD-CYBMUJFWSA-N	1	0	352.508	1.367	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCCCO1)N1CCN(c2nc(CC)ns2)CC1	ZINC000261834155	672680296	/nfs/dbraw/zinc/68/02/96/672680296.db2.gz	VVSCEADXWSSSIB-AWEZNQCLSA-N	1	0	366.535	1.757	20	30		FDEDRO
C[NH+]=C(NCc1ccc(NS(C)(=O)=O)cc1)N(C)Cc1ccon1	ZINC000261836268	672680633	/nfs/dbraw/zinc/68/06/33/672680633.db2.gz	WCLRSHYRAGIBEU-UHFFFAOYSA-N	1	0	351.432	1.254	20	30		FDEDRO
C[NH+]=C(NC[C@]1(O)CCSC1)N[C@@H]1CCN(c2ccccc2OC)C1	ZINC000261934222	672696759	/nfs/dbraw/zinc/69/67/59/672696759.db2.gz	CCGDDQJRIDEXNA-RDTXWAMCSA-N	1	0	364.515	1.307	20	30		FDEDRO
CC[NH+]=C(NC[C@]1(O)CCSC1)N1CCN([C@H](C)C(F)(F)F)CC1	ZINC000261949977	672700074	/nfs/dbraw/zinc/70/00/74/672700074.db2.gz	YVQYKGQOTBWVRB-TZMCWYRMSA-N	1	0	368.469	1.388	20	30		FDEDRO
C[NH+]=C(NCc1nccn1CC(C)C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261951051	672700135	/nfs/dbraw/zinc/70/01/35/672700135.db2.gz	HJFWJLQVGJGZMY-UHFFFAOYSA-N	1	0	355.508	1.124	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCCO[C@H]1C(C)(C)C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261966686	672703809	/nfs/dbraw/zinc/70/38/09/672703809.db2.gz	LQSPFNHXQBLHMW-LSDHHAIUSA-N	1	0	373.563	1.912	20	30		FDEDRO
CC[NH+]=C(NCc1cccnc1N(C)C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261984924	672706979	/nfs/dbraw/zinc/70/69/79/672706979.db2.gz	PUSZQRSKFLSKHM-UHFFFAOYSA-N	1	0	367.519	1.122	20	30		FDEDRO
[NH2+]=C(NCc1cc(Cl)ccc1N1CCOCC1)NC[C@H]1CCCO1	ZINC000262182170	672742200	/nfs/dbraw/zinc/74/22/00/672742200.db2.gz	QCHAKKGXJIXOAL-OAHLLOKOSA-N	1	0	352.866	1.760	20	30		FDEDRO
CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=[NH2+])Nc1cc(F)ccc1F	ZINC000262237157	672752159	/nfs/dbraw/zinc/75/21/59/672752159.db2.gz	ANJMCMNHXKSIBS-ZWNOBZJWSA-N	1	0	360.430	1.799	20	30		FDEDRO
CN(C)C(=O)CNC(NC[C@@H]1CCOC1)=[NH+][C@@H]1CC[C@@H]2CCC[C@@H]2C1	ZINC000262274306	672759579	/nfs/dbraw/zinc/75/95/79/672759579.db2.gz	HOLLYJIHJVRKCU-MWDXBVQZSA-N	1	0	350.507	1.615	20	30		FDEDRO
CN(C)C(=O)CNC(=[NH+]C1CCCCC1)N1CC[C@H]([C@@H]2CCOC2)C1	ZINC000262273327	672759665	/nfs/dbraw/zinc/75/96/65/672759665.db2.gz	HHNYMRBYZUAAJQ-JKSUJKDBSA-N	1	0	350.507	1.711	20	30		FDEDRO
CC(C)[NH+]=C(NCC(=O)N(C)C)N1CCN(Cc2cccs2)CC1	ZINC000262309241	672766575	/nfs/dbraw/zinc/76/65/75/672766575.db2.gz	PLKFNXWKXJZVAS-UHFFFAOYSA-N	1	0	351.520	1.308	20	30		FDEDRO
C[NH+]=C(NCc1nc(C)c(C)s1)N1CC[C@@H](CN2CCOCC2)C1	ZINC000262328946	672770891	/nfs/dbraw/zinc/77/08/91/672770891.db2.gz	AMDXWTAELBUOBK-HNNXBMFYSA-N	1	0	351.520	1.489	20	30		FDEDRO
COCC1(C)CCN(C(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C(C)C)CC1	ZINC000262334373	672772054	/nfs/dbraw/zinc/77/20/54/672772054.db2.gz	BNRQSNKWCONOCO-OAHLLOKOSA-N	1	0	359.536	1.524	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1COC2(CCCCC2)O1)NC[C@@H]1CCS(=O)(=O)C1	ZINC000262340182	672773139	/nfs/dbraw/zinc/77/31/39/672773139.db2.gz	CLCHPIONZGOMGC-LSDHHAIUSA-N	1	0	373.519	1.052	20	30		FDEDRO
C[C@H](NC(=[NH2+])NC[C@H]1CC[C@H](C(N)=O)O1)c1ccc(Cl)cc1Cl	ZINC000262350547	672774830	/nfs/dbraw/zinc/77/48/30/672774830.db2.gz	FBLDXJVWOUGBOR-IYYTYJHQSA-N	1	0	359.257	1.992	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCc2cc(F)ccc2C1	ZINC000262354654	672775507	/nfs/dbraw/zinc/77/55/07/672775507.db2.gz	FREXIIJSZQCWEL-AWEZNQCLSA-N	1	0	367.490	1.973	20	30		FDEDRO
CC(C)C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCSC(C)(C)C1	ZINC000262361717	672776672	/nfs/dbraw/zinc/77/66/72/672776672.db2.gz	GWPDPEGFJDCSOY-AWEZNQCLSA-N	1	0	361.577	1.850	20	30		FDEDRO
C[C@@H]1CCCN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C[C@@H]2CCOC2)C1	ZINC000262401253	672783258	/nfs/dbraw/zinc/78/32/58/672783258.db2.gz	NTGHZPUXLANCOD-PMPSAXMXSA-N	1	0	357.520	1.135	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C	ZINC000262463056	672793991	/nfs/dbraw/zinc/79/39/91/672793991.db2.gz	XVNYVQSKCVMWMN-XQLPTFJDSA-N	1	0	357.520	1.180	20	30		FDEDRO
CN(Cc1cc(Cl)cn1C)C(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CC1	ZINC000262471494	672795116	/nfs/dbraw/zinc/79/51/16/672795116.db2.gz	ZBUFEQGROXFIAG-LBPRGKRZSA-N	1	0	372.922	1.653	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)NC(C)C)N1CC[C@@H](c2ccccc2C)C1	ZINC000262491064	672798246	/nfs/dbraw/zinc/79/82/46/672798246.db2.gz	UYHBWMKTGIFMDW-MRXNPFEDSA-N	1	0	366.531	1.688	20	30		FDEDRO
Cc1ccc(Br)cc1NC(=O)CNC(=[NH2+])N1CCO[C@@H](C)C1	ZINC000262491115	672798418	/nfs/dbraw/zinc/79/84/18/672798418.db2.gz	UZNJPZLDAPYQRJ-NSHDSACASA-N	1	0	369.263	1.731	20	30		FDEDRO
[NH2+]=C(NCCN1CCSCC1)N1CCN(c2ccc(F)cc2)CC1	ZINC000262542121	672805154	/nfs/dbraw/zinc/80/51/54/672805154.db2.gz	SMTUBARHEBGBQU-UHFFFAOYSA-N	1	0	351.495	1.311	20	30		FDEDRO
C[NH+]=C(NCC1CCCCC1)NC[C@@]1(N2CCOCC2)CCSC1	ZINC000262596964	672814578	/nfs/dbraw/zinc/81/45/78/672814578.db2.gz	XFMYCBMMELCWDU-SFHVURJKSA-N	1	0	354.564	1.940	20	30		FDEDRO
CSCc1ccc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)cc1	ZINC000262637331	672822911	/nfs/dbraw/zinc/82/29/11/672822911.db2.gz	HBBNPWQUXMZYDO-UHFFFAOYSA-N	1	0	356.499	1.977	20	30		FDEDRO
CN(Cc1ccccc1Br)C(=O)CCNC1=[NH+]CCN1C	ZINC000262669530	672828288	/nfs/dbraw/zinc/82/82/88/672828288.db2.gz	QJKVRLWMTZJJCQ-UHFFFAOYSA-N	1	0	353.264	1.689	20	30		FDEDRO
C[C@H]1C[NH+]=C(NCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)N1	ZINC000262683000	672829879	/nfs/dbraw/zinc/82/98/79/672829879.db2.gz	XBANEPDDGJOOGZ-KGLIPLIRSA-N	1	0	350.488	1.545	20	30		FDEDRO
C[NH+]=C(NC[C@]1(N(C)C)CCSC1)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1	ZINC000262763276	672844374	/nfs/dbraw/zinc/84/43/74/672844374.db2.gz	GPSUZKZHNCCANS-IIDMSEBBSA-N	1	0	369.579	1.236	20	30		FDEDRO
CC[NH+]=C(NCC(O)(CC)CC)N1CCS(=O)(=O)C2(CCCCC2)C1	ZINC000262791678	672850135	/nfs/dbraw/zinc/85/01/35/672850135.db2.gz	OETXWAHUYMARDK-UHFFFAOYSA-N	1	0	373.563	1.936	20	30		FDEDRO
CC[NH+]=C(NCCN1CCSCC1)N1CCN(c2ccccn2)CC1	ZINC000262807141	672851310	/nfs/dbraw/zinc/85/13/10/672851310.db2.gz	SZEYYSPIEVJQMM-UHFFFAOYSA-N	1	0	362.547	1.218	20	30		FDEDRO
CN(C)[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)c1cccc(F)c1	ZINC000264067827	672899831	/nfs/dbraw/zinc/89/98/31/672899831.db2.gz	FHHQPXFWOLZBOF-KRWDZBQOSA-N	1	0	351.470	1.055	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)cc1C#N	ZINC000266203695	673080952	/nfs/dbraw/zinc/08/09/52/673080952.db2.gz	MGPJUPDSTRUKBX-HNNXBMFYSA-N	1	0	354.332	1.840	20	30		FDEDRO
Cc1nn(C)c(C)c1CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000267408644	673300597	/nfs/dbraw/zinc/30/05/97/673300597.db2.gz	HTGWBEHMTBAYPZ-UHFFFAOYSA-N	1	0	350.467	1.404	20	30		FDEDRO
Cc1nnc(CCNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)s1	ZINC000290641606	676220477	/nfs/dbraw/zinc/22/04/77/676220477.db2.gz	MBQQXIZSMCLZBE-GFCCVEGCSA-N	1	0	366.491	1.270	20	30		FDEDRO
CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(c2snc(C)c2C#N)CC1	ZINC000290644167	676220668	/nfs/dbraw/zinc/22/06/68/676220668.db2.gz	DYXBCETZFVNJKY-CYBMUJFWSA-N	1	0	364.519	1.885	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2ccncc2OCC(F)(F)F)CC1	ZINC000281026115	675481871	/nfs/dbraw/zinc/48/18/71/675481871.db2.gz	CXJVRGLSHTXTER-UHFFFAOYSA-N	1	0	355.360	1.984	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)C(C)C	ZINC000281508851	675525794	/nfs/dbraw/zinc/52/57/94/675525794.db2.gz	KYBJRPFPYBJWDB-OAHLLOKOSA-N	1	0	365.861	1.993	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NCc1ccc(OCC[NH+](C)C)cc1	ZINC000282978958	675645244	/nfs/dbraw/zinc/64/52/44/675645244.db2.gz	XDVMYTUTOKAEBY-AWEZNQCLSA-N	1	0	354.476	1.053	20	30		FDEDRO
CSCCCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000284010852	675667777	/nfs/dbraw/zinc/66/77/77/675667777.db2.gz	HZNQUAASGYMPJP-UHFFFAOYSA-N	1	0	362.499	1.318	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CCO[C@H](C)C1)C(C)C	ZINC000284084828	675671484	/nfs/dbraw/zinc/67/14/84/675671484.db2.gz	OSDMLAVSYHCNMA-BRWVUGGUSA-N	1	0	351.491	1.485	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc1	ZINC000286076343	675868700	/nfs/dbraw/zinc/86/87/00/675868700.db2.gz	MNJSSUPCGRNKTJ-WOSRLPQWSA-N	1	0	351.472	1.267	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCCCC[N@H+]2CCC[C@H]2CO)cc1F	ZINC000293172934	676336371	/nfs/dbraw/zinc/33/63/71/676336371.db2.gz	CRPLKPSOTPRTBF-AWEZNQCLSA-N	1	0	355.435	1.213	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)cc1OC(F)F	ZINC000293294569	676343298	/nfs/dbraw/zinc/34/32/98/676343298.db2.gz	HBOPUMYADJNUNG-UHFFFAOYSA-N	1	0	357.332	1.437	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCN(C[C@H]3CCOC3)CC2)cc1F	ZINC000293323737	676345269	/nfs/dbraw/zinc/34/52/69/676345269.db2.gz	JENMNMLUZFDJGW-CYBMUJFWSA-N	1	0	353.419	1.040	20	30		FDEDRO
C#CCNC(=O)CC[NH+]1CCN(Cc2cn3cc(Cl)ccc3n2)CC1	ZINC000293529226	676354415	/nfs/dbraw/zinc/35/44/15/676354415.db2.gz	PJIVRFFQHIJGOM-UHFFFAOYSA-N	1	0	359.861	1.245	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H](C)C[NH+](C)C)ccc1F	ZINC000293735574	676362903	/nfs/dbraw/zinc/36/29/03/676362903.db2.gz	KYWCJXQHKGASKU-LBPRGKRZSA-N	1	0	357.451	1.218	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(C2(C)OCCO2)cc1	ZINC000293770082	676364439	/nfs/dbraw/zinc/36/44/39/676364439.db2.gz	KWKORZGFGUHRHF-UHFFFAOYSA-N	1	0	352.456	1.140	20	30		FDEDRO
CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000294197179	676378471	/nfs/dbraw/zinc/37/84/71/676378471.db2.gz	LOLRVEPKOWZURO-UHFFFAOYSA-N	1	0	368.478	1.096	20	30		FDEDRO
C[C@@H](C[NH+](C)C)NS(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000296099717	676414435	/nfs/dbraw/zinc/41/44/35/676414435.db2.gz	QYSOJEXYNFFYKX-QMMMGPOBSA-N	1	0	364.240	1.688	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N(C)CCn1cc(Br)cn1	ZINC000296941128	676422196	/nfs/dbraw/zinc/42/21/96/676422196.db2.gz	PQOITJNYMDKEEH-UHFFFAOYSA-N	1	0	356.268	1.242	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1	ZINC000298472579	676466753	/nfs/dbraw/zinc/46/67/53/676466753.db2.gz	CGQBJJIFNIHSCY-IRXDYDNUSA-N	1	0	363.483	1.508	20	30		FDEDRO
COC(=O)C1CC[NH+](CCCNS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000298512622	676471042	/nfs/dbraw/zinc/47/10/42/676471042.db2.gz	XRXKJSVJTKXXMN-UHFFFAOYSA-N	1	0	365.455	1.112	20	30		FDEDRO
CCS(=O)(=O)N(C)CCCNC(=[NH2+])Nc1cccc2c1CCCC2	ZINC000304671421	676544205	/nfs/dbraw/zinc/54/42/05/676544205.db2.gz	MHSOQTCZVASFGN-UHFFFAOYSA-N	1	0	352.504	1.964	20	30		FDEDRO
COCCNS(=O)(=O)c1cccc(CNC(=[NH2+])N2CCC[C@@H](C)C2)c1	ZINC000304756735	676544389	/nfs/dbraw/zinc/54/43/89/676544389.db2.gz	NXYWCPLSJQLFCR-CQSZACIVSA-N	1	0	368.503	1.158	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCCOC2CCOCC2)CC1	ZINC000304808522	676544690	/nfs/dbraw/zinc/54/46/90/676544690.db2.gz	URUTZSCIQIQKLX-UHFFFAOYSA-N	1	0	356.467	1.097	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)cc1OC	ZINC000305772447	676545252	/nfs/dbraw/zinc/54/52/52/676545252.db2.gz	LAMXCNAASPGKIZ-JSGCOSHPSA-N	1	0	350.419	1.066	20	30		FDEDRO
CC(C)(C)c1nc(CCNC(=[NH2+])NCCCN2CCOCC2)cs1	ZINC000305728097	676545259	/nfs/dbraw/zinc/54/52/59/676545259.db2.gz	SGXVTNINZXTTDU-UHFFFAOYSA-N	1	0	353.536	1.610	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)NC[C@]2(N3CCOCC3)CCSC2)CC1	ZINC000328657399	676601010	/nfs/dbraw/zinc/60/10/10/676601010.db2.gz	OXXQBLHITXNVSA-QGZVFWFLSA-N	1	0	356.536	1.182	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1	ZINC000328664957	676601219	/nfs/dbraw/zinc/60/12/19/676601219.db2.gz	YVYKIQZDLGAPKP-HUUCEWRRSA-N	1	0	360.524	1.034	20	30		FDEDRO
C[C@@H]1CN(C(C)(C)CNC(=O)CCN2CCCS2(=O)=O)C[C@@H](C)O1	ZINC000328912261	676611975	/nfs/dbraw/zinc/61/19/75/676611975.db2.gz	OVKOMKXPBDVCEU-ZIAGYGMSSA-N	1	0	361.508	1.256	20	30		FDEDRO
C[C@@H]1CN(Cc2csc(NC(=O)N3CC[C@H]([NH+](C)C)C3)n2)C[C@@H](C)O1	ZINC000328955458	676613755	/nfs/dbraw/zinc/61/37/55/676613755.db2.gz	YYSHBGAQFMOUSS-NFAWXSAZSA-N	1	0	367.519	1.934	20	30		FDEDRO
Cc1noc([C@@H]2CN(C(=O)NCC[N@H+]3CCC[C@H](C)C3)CCN2C)n1	ZINC000329016143	676616227	/nfs/dbraw/zinc/61/62/27/676616227.db2.gz	GIFLBNUSHQZZEO-ZFWWWQNUSA-N	1	0	350.467	1.312	20	30		FDEDRO
C=CCCCS(=O)(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000416617849	679693537	/nfs/dbraw/zinc/69/35/37/679693537.db2.gz	SAXSTICIIZABNB-UHFFFAOYSA-N	1	0	352.500	1.899	20	30		FDEDRO
Cc1noc([C@@H]2CN(C(=O)NC[C@]3([NH+](C)C)CCSC3)CCN2C)n1	ZINC000329058193	676617999	/nfs/dbraw/zinc/61/79/99/676617999.db2.gz	MSCAUVWNPOJELY-XJKSGUPXSA-N	1	0	368.507	1.018	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](c1nc(C)no1)C1CCOCC1	ZINC000329075983	676618720	/nfs/dbraw/zinc/61/87/20/676618720.db2.gz	PQVZFSIJYSORFM-CABCVRRESA-N	1	0	351.451	1.834	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)CC1	ZINC000329102505	676620041	/nfs/dbraw/zinc/62/00/41/676620041.db2.gz	CZLGQUJOLDQZPU-YQVWRLOYSA-N	1	0	351.491	1.803	20	30		FDEDRO
C[C@H](Sc1nncn1C)C(=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000329114750	676620692	/nfs/dbraw/zinc/62/06/92/676620692.db2.gz	SLWNZUVXKKOLHH-ZDUSSCGKSA-N	1	0	353.492	1.897	20	30		FDEDRO
C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1nc(CN2CCOCC2)cs1	ZINC000329117052	676621008	/nfs/dbraw/zinc/62/10/08/676621008.db2.gz	UHKZBEXRWZDGPN-UKRRQHHQSA-N	1	0	365.503	1.689	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)NCc3nccn3C(F)F)C2)CC1	ZINC000329171647	676623708	/nfs/dbraw/zinc/62/37/08/676623708.db2.gz	KRUYUFUERHYYAX-CYBMUJFWSA-N	1	0	356.421	1.404	20	30		FDEDRO
COCc1nc(C)c(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)s1	ZINC000329208027	676625396	/nfs/dbraw/zinc/62/53/96/676625396.db2.gz	YOEFEBHSOMVNBI-ZDUSSCGKSA-N	1	0	366.487	1.598	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC[C@H](C(=O)N3CCCC3)C2)C1	ZINC000329294442	676631595	/nfs/dbraw/zinc/63/15/95/676631595.db2.gz	RZMNUHHCWIHVIB-SJORKVTESA-N	1	0	350.507	1.823	20	30		FDEDRO
CC(C)c1nc([C@@H]2COCCN2C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)no1	ZINC000329321794	676632993	/nfs/dbraw/zinc/63/29/93/676632993.db2.gz	JHPWCCPOXUIAJO-MCIONIFRSA-N	1	0	351.451	1.963	20	30		FDEDRO
C[C@H](NC(=O)NCc1ccc(S(N)(=O)=O)s1)C1=CC[N@H+](C)CC1	ZINC000329341263	676634015	/nfs/dbraw/zinc/63/40/15/676634015.db2.gz	OUNSHRKHHFQWJV-JTQLQIEISA-N	1	0	358.489	1.050	20	30		FDEDRO
O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCC[NH+]1CCSCC1	ZINC000329423171	676638125	/nfs/dbraw/zinc/63/81/25/676638125.db2.gz	HQXHAWLTGZSNMV-UHFFFAOYSA-N	1	0	354.476	1.451	20	30		FDEDRO
CS(=O)(=O)c1ccc(OCCNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000329446067	676639027	/nfs/dbraw/zinc/63/90/27/676639027.db2.gz	LWDXPHPPDAVWJC-AWEZNQCLSA-N	1	0	367.471	1.163	20	30		FDEDRO
CS(=O)(=O)NCC1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1	ZINC000329511253	676641939	/nfs/dbraw/zinc/64/19/39/676641939.db2.gz	BZJQOIKVIJDNLU-MRXNPFEDSA-N	1	0	372.535	1.179	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)NCC(=O)N(C)C2CCCCC2)[C@H](C)C1	ZINC000329527441	676642638	/nfs/dbraw/zinc/64/26/38/676642638.db2.gz	HWOSZUNVPWZFOI-CABCVRRESA-N	1	0	354.495	1.078	20	30		FDEDRO
O=C(CN1CCSC[C@@H]1CO)NC(=O)Nc1ccc2c(c1)OCCO2	ZINC000329642955	676647531	/nfs/dbraw/zinc/64/75/31/676647531.db2.gz	ITTVEUILDGNOQY-LBPRGKRZSA-N	1	0	367.427	1.370	20	30		FDEDRO
CC(C)C(=O)N1CCC(NC(=O)NC[C@]2([NH+](C)C)CCSC2)CC1	ZINC000329704242	676650567	/nfs/dbraw/zinc/65/05/67/676650567.db2.gz	IRDCWEKAJJIIGE-QGZVFWFLSA-N	1	0	356.536	1.574	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1	ZINC000329764136	676653678	/nfs/dbraw/zinc/65/36/78/676653678.db2.gz	VKBWLVZVUKACRJ-IASZTOCISA-N	1	0	351.491	1.371	20	30		FDEDRO
CSC1(CNC(=O)N2CC[NH+](CC3CCOCC3)CC2)CCOCC1	ZINC000329785605	676655937	/nfs/dbraw/zinc/65/59/37/676655937.db2.gz	XEPKGTZPEBQUHT-UHFFFAOYSA-N	1	0	371.547	1.857	20	30		FDEDRO
C[NH+]1CCC(O)(CNC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)CC1	ZINC000329793880	676656867	/nfs/dbraw/zinc/65/68/67/676656867.db2.gz	BMNWSOQKVLOFSE-AWEZNQCLSA-N	1	0	355.504	1.491	20	30		FDEDRO
C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(S(C)(=O)=O)s1	ZINC000329843725	676660481	/nfs/dbraw/zinc/66/04/81/676660481.db2.gz	LAENIQALBMJMGU-VXGBXAGGSA-N	1	0	357.501	1.734	20	30		FDEDRO
O=C(NCC1([NH+]2CCSCC2)CCCC1)N1CCO[C@]2(CCOC2)C1	ZINC000329933623	676664354	/nfs/dbraw/zinc/66/43/54/676664354.db2.gz	BQPQHDQKPGWSED-GOSISDBHSA-N	1	0	369.531	1.753	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@H]1CCCCS1(=O)=O	ZINC000330020478	676669059	/nfs/dbraw/zinc/66/90/59/676669059.db2.gz	AGTYWJWSGAETRN-BZUAXINKSA-N	1	0	358.504	1.678	20	30		FDEDRO
CCO[C@@H]1C[C@H](O)C12CCN(C(=O)NC[C@]1([NH+](C)C)CCSC1)CC2	ZINC000330082193	676671670	/nfs/dbraw/zinc/67/16/70/676671670.db2.gz	ANRBVAOYNYICSP-ZMSDIMECSA-N	1	0	371.547	1.590	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)N2CCC(N3CCNC3=O)CC2)CCSC1	ZINC000330087057	676671982	/nfs/dbraw/zinc/67/19/82/676671982.db2.gz	SQGHAZSFINHQEM-INIZCTEOSA-N	1	0	355.508	1.032	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC(=O)N(CC(F)(F)F)C2)C1	ZINC000330171111	676676418	/nfs/dbraw/zinc/67/64/18/676676418.db2.gz	FDFLQTBHPBMLLK-GFCCVEGCSA-N	1	0	350.385	1.685	20	30		FDEDRO
C[C@@H](CN1CCCC1=O)NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	ZINC000330273247	676682302	/nfs/dbraw/zinc/68/23/02/676682302.db2.gz	YXEICOGSDIXPPF-GJZGRUSLSA-N	1	0	352.479	1.096	20	30		FDEDRO
CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCCC[C@H]1S(C)(=O)=O	ZINC000330273596	676682506	/nfs/dbraw/zinc/68/25/06/676682506.db2.gz	ZLDYJVNZLKZSMA-KLHDSHLOSA-N	1	0	357.520	1.815	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[S@](=O)C[C@@H](C)C2)C1	ZINC000330339332	676684701	/nfs/dbraw/zinc/68/47/01/676684701.db2.gz	WNPZTXNDKYXEJB-DXMSMQRWSA-N	1	0	359.536	1.000	20	30		FDEDRO
COC(=O)[C@]1(C)CN(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)C[C@H]1C	ZINC000330368885	676685280	/nfs/dbraw/zinc/68/52/80/676685280.db2.gz	ATTNDCUXJQZNIV-RVKKMQEKSA-N	1	0	354.495	1.057	20	30		FDEDRO
C[C@H](CNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O)C[NH+](C)C	ZINC000330616649	676698214	/nfs/dbraw/zinc/69/82/14/676698214.db2.gz	FBFVPRQZNYTIFA-CHWSQXEVSA-N	1	0	353.488	1.900	20	30		FDEDRO
CC(C)[NH2+]C1CCN(C(=O)NCc2cccc(NS(C)(=O)=O)c2)CC1	ZINC000330726278	676702289	/nfs/dbraw/zinc/70/22/89/676702289.db2.gz	HPXJHNRAGWUDLH-UHFFFAOYSA-N	1	0	368.503	1.935	20	30		FDEDRO
CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccccc1S(=O)(=O)N(C)C	ZINC000330757406	676703152	/nfs/dbraw/zinc/70/31/52/676703152.db2.gz	KZDRIUFAHQPQKM-OAHLLOKOSA-N	1	0	368.503	1.754	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)NCCc2cc(F)c(F)c(F)c2)C[C@@H]1C	ZINC000330870096	676707497	/nfs/dbraw/zinc/70/74/97/676707497.db2.gz	XCRCSBALVOBRTR-RYUDHWBXSA-N	1	0	359.392	1.947	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(C)[C@H](c2nccn2C)C1)C(C)(C)C[NH+](C)C	ZINC000331030153	676714418	/nfs/dbraw/zinc/71/44/18/676714418.db2.gz	FJLIPQFRTZAZEC-GJZGRUSLSA-N	1	0	350.511	1.599	20	30		FDEDRO
CC[C@@H]1CN(C(=O)NC[C@@H]2CCCN(C(C)=O)C2)CC[N@@H+]1CCOC	ZINC000331058109	676715534	/nfs/dbraw/zinc/71/55/34/676715534.db2.gz	MJJJAHTZUVJFMF-DLBZAZTESA-N	1	0	354.495	1.202	20	30		FDEDRO
C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCOc1ccc(F)cc1	ZINC000331234448	676723183	/nfs/dbraw/zinc/72/31/83/676723183.db2.gz	SHTJYYQBEJCDSO-AWEZNQCLSA-N	1	0	353.438	1.896	20	30		FDEDRO
O=C(CCN1CC[C@@H]([NH+]2CCCCC2)C1)NC(=O)NCC(F)(F)F	ZINC000331248677	676723994	/nfs/dbraw/zinc/72/39/94/676723994.db2.gz	REPMLNOEEIJKDR-GFCCVEGCSA-N	1	0	350.385	1.529	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](O)CC(C)(C)C2)CC1	ZINC000332383620	676740966	/nfs/dbraw/zinc/74/09/66/676740966.db2.gz	YFMXBAZOCLLOJL-DLBZAZTESA-N	1	0	350.507	1.162	20	30		FDEDRO
CC(C)(O)C[N@@H+]1CCCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000364258087	677002984	/nfs/dbraw/zinc/00/29/84/677002984.db2.gz	GYWHTCYTLQMETK-UHFFFAOYSA-N	1	0	364.877	1.929	20	30		FDEDRO
COC(=O)[C@H]1CN(C(=O)Nc2ccc(C#N)cc2Cl)CC[N@H+](C)C1	ZINC000416928493	679732682	/nfs/dbraw/zinc/73/26/82/679732682.db2.gz	YTKVFPVRNPZTEC-GFCCVEGCSA-N	1	0	350.806	1.780	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)c(F)c1	ZINC000365788214	677382149	/nfs/dbraw/zinc/38/21/49/677382149.db2.gz	WMOKMBMBIMOANE-MRXNPFEDSA-N	1	0	351.447	1.438	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[NH+]([C@H]2CCSC2)CC1	ZINC000365897747	677390209	/nfs/dbraw/zinc/39/02/09/677390209.db2.gz	YJHQIXUMEIQLMQ-HOTGVXAUSA-N	1	0	350.532	1.841	20	30		FDEDRO
C=CCCCCCCNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000367779654	677495619	/nfs/dbraw/zinc/49/56/19/677495619.db2.gz	LXHLGYUKBGZYQN-GOSISDBHSA-N	1	0	352.523	1.829	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(CN2CCCN(S(=O)(=O)N(C)C)CC2)cc1	ZINC000367971797	677497246	/nfs/dbraw/zinc/49/72/46/677497246.db2.gz	FNDUWGPZPSMKIC-OAHLLOKOSA-N	1	0	366.487	1.292	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCC[NH2+]CC2)ccc1F	ZINC000368721372	677501333	/nfs/dbraw/zinc/50/13/33/677501333.db2.gz	GYEQWMFLHRQBRC-ZDUSSCGKSA-N	1	0	355.435	1.162	20	30		FDEDRO
COC(=O)CN1CCC[N@H+](CCC(=O)Nc2sccc2C#N)CC1	ZINC000370226956	677554256	/nfs/dbraw/zinc/55/42/56/677554256.db2.gz	FYLZIDGCLLECDZ-UHFFFAOYSA-N	1	0	350.444	1.129	20	30		FDEDRO
C=CCNc1ncc(C(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)s1	ZINC000370778617	677613537	/nfs/dbraw/zinc/61/35/37/677613537.db2.gz	HOSNQAZOTVIDIL-UONOGXRCSA-N	1	0	350.488	1.972	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@H](C)[C@H]1CN(Cc2ccccc2)CCO1	ZINC000371624834	677745145	/nfs/dbraw/zinc/74/51/45/677745145.db2.gz	PBOMDZPEWMMTDI-SJLPKXTDSA-N	1	0	352.500	1.466	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1	ZINC000374454319	678081770	/nfs/dbraw/zinc/08/17/70/678081770.db2.gz	VLZXWCAHVOYJGZ-SOLBZPMBSA-N	1	0	364.515	1.823	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000374460655	678082859	/nfs/dbraw/zinc/08/28/59/678082859.db2.gz	HDZLTZHOGULXOF-OAGGEKHMSA-N	1	0	372.535	1.144	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1	ZINC000374462937	678083453	/nfs/dbraw/zinc/08/34/53/678083453.db2.gz	QCYWARQBAXHORA-WBVHZDCISA-N	1	0	350.488	1.529	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1	ZINC000374544027	678086531	/nfs/dbraw/zinc/08/65/31/678086531.db2.gz	PGDURTPDPPUBNQ-NFAWXSAZSA-N	1	0	356.517	1.809	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1	ZINC000374627926	678088493	/nfs/dbraw/zinc/08/84/93/678088493.db2.gz	DQYQRUUBIQWASG-XIRDDKMYSA-N	1	0	363.483	1.350	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(CC)[C@H]1c1cc(F)c(F)c(F)c1	ZINC000374820041	678092012	/nfs/dbraw/zinc/09/20/12/678092012.db2.gz	BFXMPUVBSOAOIJ-KCTSRDHCSA-N	1	0	353.388	1.967	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1c2ccccc2CC[C@H]1[NH+](C)C	ZINC000375708663	678158682	/nfs/dbraw/zinc/15/86/82/678158682.db2.gz	WTYHHJJACANINV-XYPHTWIQSA-N	1	0	350.488	1.672	20	30		FDEDRO
CCC[NH+]1CCN(C2CCN(S(=O)(=O)c3ccc(C#N)o3)CC2)CC1	ZINC000376289984	678264105	/nfs/dbraw/zinc/26/41/05/678264105.db2.gz	QBSGFGWJFYFXBR-UHFFFAOYSA-N	1	0	366.487	1.332	20	30		FDEDRO
C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000376343096	678279427	/nfs/dbraw/zinc/27/94/27/678279427.db2.gz	DVAHNXDKMJRSBS-OCCSQVGLSA-N	1	0	364.427	1.714	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000377294241	678509620	/nfs/dbraw/zinc/50/96/20/678509620.db2.gz	AAKBCNBDGQKQAG-KURKYZTESA-N	1	0	363.483	1.572	20	30		FDEDRO
CC1CC[NH+](C2CCC(NS(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)CC1	ZINC000409487293	678848897	/nfs/dbraw/zinc/84/88/97/678848897.db2.gz	RSDCFFNEZRNGKE-JCYILVPMSA-N	1	0	370.519	1.088	20	30		FDEDRO
CC1CC[NH+](C2CCC(NS(=O)(=O)N3CCO[C@H](C#N)C3)CC2)CC1	ZINC000409487299	678848904	/nfs/dbraw/zinc/84/89/04/678848904.db2.gz	RSDCFFNEZRNGKE-OFLPRAFFSA-N	1	0	370.519	1.088	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1	ZINC000409488298	678849416	/nfs/dbraw/zinc/84/94/16/678849416.db2.gz	VFZBNXRDVXIKRD-JKSUJKDBSA-N	1	0	352.504	1.823	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N1CCC(CCC[N@H+](C)CCOC)CC1	ZINC000409490477	678849952	/nfs/dbraw/zinc/84/99/52/678849952.db2.gz	HQPWVLKFUXXBLS-UHFFFAOYSA-N	1	0	374.551	1.537	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000409494007	678851497	/nfs/dbraw/zinc/85/14/97/678851497.db2.gz	YIYRXKIEBVQXED-BZUAXINKSA-N	1	0	356.536	1.955	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000409494008	678851603	/nfs/dbraw/zinc/85/16/03/678851603.db2.gz	YIYRXKIEBVQXED-OAGGEKHMSA-N	1	0	356.536	1.955	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N(CC[NH+](C)C)Cc1ccccc1	ZINC000409532994	678854463	/nfs/dbraw/zinc/85/44/63/678854463.db2.gz	YWIWQLYLYFYHJV-INIZCTEOSA-N	1	0	352.504	1.777	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NCc1ccc(C[NH+]2CCCC2)cc1	ZINC000409536126	678855683	/nfs/dbraw/zinc/85/56/83/678855683.db2.gz	LKCAPIZIMVVCFQ-UHFFFAOYSA-N	1	0	350.488	1.852	20	30		FDEDRO
CC[NH+](CC)Cc1cccc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)c1	ZINC000409595424	678866107	/nfs/dbraw/zinc/86/61/07/678866107.db2.gz	PUPGYZMBBASHKC-KRWDZBQOSA-N	1	0	366.487	1.087	20	30		FDEDRO
CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)N1CCO[C@@H](C#N)C1	ZINC000409594172	678866148	/nfs/dbraw/zinc/86/61/48/678866148.db2.gz	HEQNTRPIODIXAG-KRWDZBQOSA-N	1	0	366.487	1.086	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)N(CC)CCC#N)[C@@H](C)C1	ZINC000410125066	678880100	/nfs/dbraw/zinc/88/01/00/678880100.db2.gz	YGVZPZHSTDOQOH-JKSUJKDBSA-N	1	0	360.524	1.193	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1	ZINC000410148363	678885725	/nfs/dbraw/zinc/88/57/25/678885725.db2.gz	CRRPSHXHGAOFRL-JKSUJKDBSA-N	1	0	360.524	1.145	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC(OCC[NH+](CC)CC)CC1	ZINC000410150104	678886416	/nfs/dbraw/zinc/88/64/16/678886416.db2.gz	LGRYPVXLGAAZCQ-INIZCTEOSA-N	1	0	374.551	1.536	20	30		FDEDRO
C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1	ZINC000411397006	679027859	/nfs/dbraw/zinc/02/78/59/679027859.db2.gz	LBFJECWXYAQEEN-LBPRGKRZSA-N	1	0	350.394	1.465	20	30		FDEDRO
C[C@@H]1C[N@H+](CCO)CCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000411868130	679085259	/nfs/dbraw/zinc/08/52/59/679085259.db2.gz	IYLKLSZSHPFMTI-CYBMUJFWSA-N	1	0	350.850	1.539	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@H+]2C[C@@H](O)C[C@H]2COC)c(OC)c1	ZINC000411922584	679097792	/nfs/dbraw/zinc/09/77/92/679097792.db2.gz	LTIGCSAIVAEWIY-ULQDDVLXSA-N	1	0	351.443	1.245	20	30		FDEDRO
CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)[C@H]([NH3+])CCCC#N	ZINC000424104409	680829913	/nfs/dbraw/zinc/82/99/13/680829913.db2.gz	ONDDERNTVSIVTQ-CQSZACIVSA-N	1	0	366.487	1.401	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000424085454	680829286	/nfs/dbraw/zinc/82/92/86/680829286.db2.gz	AWZFUKJNUJUSPZ-INIZCTEOSA-N	1	0	364.471	1.108	20	30		FDEDRO
C[C@@H]1CN(Cc2csc(NC(=O)[C@@H]([NH3+])CCCC#N)n2)C[C@@H](C)O1	ZINC000424132528	680830439	/nfs/dbraw/zinc/83/04/39/680830439.db2.gz	KVPVNYBFFIZRBS-BZPMIXESSA-N	1	0	351.476	1.712	20	30		FDEDRO
COC(=O)[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccc(OC(F)F)cc1	ZINC000424169543	680831215	/nfs/dbraw/zinc/83/12/15/680831215.db2.gz	JUMHNZWYEYKZOK-OLZOCXBDSA-N	1	0	355.341	1.639	20	30		FDEDRO
COCC[NH2+]CCNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000414835189	679370861	/nfs/dbraw/zinc/37/08/61/679370861.db2.gz	HHUOEZLJTQPLOD-UHFFFAOYSA-N	1	0	360.336	1.857	20	30		FDEDRO
N#Cc1cc(NC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)ccc1OCC(F)(F)F	ZINC000414832387	679370930	/nfs/dbraw/zinc/37/09/30/679370930.db2.gz	DLLGQESRXMJRAB-CMPLNLGQSA-N	1	0	358.320	1.201	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1	ZINC000414891494	679372525	/nfs/dbraw/zinc/37/25/25/679372525.db2.gz	IJVUBPRBMLYVIC-WFASDCNBSA-N	1	0	352.460	1.447	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCC[NH2+]C2)cc1	ZINC000414902428	679373643	/nfs/dbraw/zinc/37/36/43/679373643.db2.gz	YFRSVFNYCHGMLR-AWEZNQCLSA-N	1	0	352.460	1.367	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)NCCCN2CC[NH2+]CC2)c1	ZINC000415120331	679382025	/nfs/dbraw/zinc/38/20/25/679382025.db2.gz	GPIQFWFPMLQKEP-UHFFFAOYSA-N	1	0	353.373	1.576	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1	ZINC000415594923	679460957	/nfs/dbraw/zinc/46/09/57/679460957.db2.gz	HARVVEOHTWEEIZ-MBNYWOFBSA-N	1	0	350.444	1.764	20	30		FDEDRO
N#CCc1cccc(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1	ZINC000415808901	679510075	/nfs/dbraw/zinc/51/00/75/679510075.db2.gz	MMCCMDHGBWKEGK-AWEZNQCLSA-N	1	0	355.364	1.710	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)C2)nc1	ZINC000416053312	679549647	/nfs/dbraw/zinc/54/96/47/679549647.db2.gz	VLJKGFWSMJTTTO-NEPJUHHUSA-N	1	0	357.336	1.396	20	30		FDEDRO
N#Cc1ncn(CC[NH2+]Cc2ccc(F)cc2I)n1	ZINC000418053987	679989141	/nfs/dbraw/zinc/98/91/41/679989141.db2.gz	DXQZMPJWFCMWGU-UHFFFAOYSA-N	1	0	371.157	1.683	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)c1ccc(F)c(F)c1	ZINC000419677437	680317285	/nfs/dbraw/zinc/31/72/85/680317285.db2.gz	MTESSKYRZIGOOU-WBMJQRKESA-N	1	0	351.397	1.814	20	30		FDEDRO
C=CCC[C@@H](CO)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1	ZINC000419711118	680332764	/nfs/dbraw/zinc/33/27/64/680332764.db2.gz	MYLPRNYZZUCDIL-NSHDSACASA-N	1	0	363.277	1.513	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1	ZINC000420413492	680442396	/nfs/dbraw/zinc/44/23/96/680442396.db2.gz	CRWNVSGGEUNBKB-GXSJLCMTSA-N	1	0	358.261	1.679	20	30		FDEDRO
C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1cccc(Br)c1C#N	ZINC000420421705	680444929	/nfs/dbraw/zinc/44/49/29/680444929.db2.gz	FTMDHBRLVVXKFL-CABZTGNLSA-N	1	0	358.261	1.740	20	30		FDEDRO
C[C@@H]1C[NH2+][C@@H](C)CN1S(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000420431260	680447393	/nfs/dbraw/zinc/44/73/93/680447393.db2.gz	XBAINAVZBQVRFF-VHSXEESVSA-N	1	0	358.261	1.692	20	30		FDEDRO
C[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1	ZINC000420432552	680448020	/nfs/dbraw/zinc/44/80/20/680448020.db2.gz	HNCKJMIOLYTUFH-LLVKDONJSA-N	1	0	358.261	1.693	20	30		FDEDRO
C[C@H]1[NH2+]CCN(S(=O)(=O)c2cccc(Br)c2C#N)[C@@H]1C	ZINC000420438942	680451478	/nfs/dbraw/zinc/45/14/78/680451478.db2.gz	WEIKGMWOXABHSR-NXEZZACHSA-N	1	0	358.261	1.692	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)c2cccc(Br)c2C#N)CC[C@@H]1[NH3+]	ZINC000420440966	680452476	/nfs/dbraw/zinc/45/24/76/680452476.db2.gz	CHBMKCVYQCLGLU-CABZTGNLSA-N	1	0	358.261	1.679	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)cc1F	ZINC000421339618	680654860	/nfs/dbraw/zinc/65/48/60/680654860.db2.gz	GQXMSKGZYPZQBR-ZDUSSCGKSA-N	1	0	354.428	1.683	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000425861677	680937120	/nfs/dbraw/zinc/93/71/20/680937120.db2.gz	WDDWFBDTAOICNC-OWSLCNJRSA-N	1	0	350.507	1.245	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1	ZINC000426133526	680948394	/nfs/dbraw/zinc/94/83/94/680948394.db2.gz	LBZZTKAYPFLJHF-JMSVASOKSA-N	1	0	362.396	1.430	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1C(F)(F)F	ZINC000427940194	680990378	/nfs/dbraw/zinc/99/03/78/680990378.db2.gz	KWQBUFQBBKLGGG-FZMZJTMJSA-N	1	0	359.373	1.950	20	30		FDEDRO
C[C@H]1C[C@@H](O)CC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000429161733	681025452	/nfs/dbraw/zinc/02/54/52/681025452.db2.gz	QUCJRGDFQABBEB-HRCADAONSA-N	1	0	362.499	1.302	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1	ZINC000430391339	681074903	/nfs/dbraw/zinc/07/49/03/681074903.db2.gz	ZBYMLUUHTOEVCJ-TWMKSMIVSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C	ZINC000430401600	681075431	/nfs/dbraw/zinc/07/54/31/681075431.db2.gz	CIJIHXCNPWQBNU-IKGGRYGDSA-N	1	0	351.491	1.417	20	30		FDEDRO
N#CCCn1cc(C[NH2+]C[C@H]2CCCS2(=O)=O)c(-c2ccncc2)n1	ZINC000433319513	681179277	/nfs/dbraw/zinc/17/92/77/681179277.db2.gz	OTUQKZNFYSAVIQ-MRXNPFEDSA-N	1	0	359.455	1.526	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC([C@H]2CCC[NH2+]2)CC1	ZINC000440838146	682030619	/nfs/dbraw/zinc/03/06/19/682030619.db2.gz	NNNMISOSGGAHET-CQSZACIVSA-N	1	0	364.427	1.619	20	30		FDEDRO
C[N@@H+]1CC[C@](O)(CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1	ZINC000442179443	682132086	/nfs/dbraw/zinc/13/20/86/682132086.db2.gz	CPJMGYDSYNQFLB-AWEZNQCLSA-N	1	0	358.320	1.645	20	30		FDEDRO
C[N@@H+]1CCN(CCNS(=O)(=O)c2cccc(Cl)c2C#N)CC1(C)C	ZINC000443081053	682230047	/nfs/dbraw/zinc/23/00/47/682230047.db2.gz	VXBMDAFPAPLODD-UHFFFAOYSA-N	1	0	370.906	1.516	20	30		FDEDRO
C=CC[C@@H]1[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)CCCC1(C)C	ZINC000444774432	682427062	/nfs/dbraw/zinc/42/70/62/682427062.db2.gz	JDBQYFLONPMTSY-HNNXBMFYSA-N	1	0	359.536	1.451	20	30		FDEDRO
N#CCC1(CS(=O)(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC1	ZINC000451273307	682854502	/nfs/dbraw/zinc/85/45/02/682854502.db2.gz	NEGTYZJMMPGCHL-UHFFFAOYSA-N	1	0	355.504	1.587	20	30		FDEDRO
COC[C@H]1CCC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1	ZINC000452107302	683030099	/nfs/dbraw/zinc/03/00/99/683030099.db2.gz	SEJKXKWNOCYQQI-ROUUACIJSA-N	1	0	350.507	1.427	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2ccnc(OCC(F)(F)F)n2)CC1	ZINC000455984134	683550870	/nfs/dbraw/zinc/55/08/70/683550870.db2.gz	NNWHTJRBKGJUOM-UHFFFAOYSA-N	1	0	359.352	2.190	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCSC[C@H]2CCO)c(OC)c1	ZINC000470204648	685015032	/nfs/dbraw/zinc/01/50/32/685015032.db2.gz	BCTGTELNORJNTA-IAGOWNOFSA-N	1	0	367.511	1.963	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@H](CC(N)=O)C1)C(C)C	ZINC000472957467	685253314	/nfs/dbraw/zinc/25/33/14/685253314.db2.gz	GFGXWFLTAWDADR-SJORKVTESA-N	1	0	350.507	1.982	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)CC1(C#N)CCCCC1	ZINC000476417447	685722369	/nfs/dbraw/zinc/72/23/69/685722369.db2.gz	JJQZXPBQEKNYGL-IXDOHACOSA-N	1	0	369.531	1.974	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1	ZINC000481738350	686359400	/nfs/dbraw/zinc/35/94/00/686359400.db2.gz	JFNOEXFCFAMNQA-HZMVEIRTSA-N	1	0	351.491	1.320	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1	ZINC000483502412	686513218	/nfs/dbraw/zinc/51/32/18/686513218.db2.gz	LDYJZTJULADGBN-UMVBOHGHSA-N	1	0	364.471	1.977	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1	ZINC000487798036	687002759	/nfs/dbraw/zinc/00/27/59/687002759.db2.gz	JXDSJFNUTCJBQE-MRXNPFEDSA-N	1	0	352.523	1.332	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2cnc(C)c(C#N)c2)C1	ZINC000489522616	687103628	/nfs/dbraw/zinc/10/36/28/687103628.db2.gz	ZBAZADPPCUPGIL-MRXNPFEDSA-N	1	0	366.487	1.383	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1	ZINC000499497647	687960365	/nfs/dbraw/zinc/96/03/65/687960365.db2.gz	ZXLYOFGBRDUMFL-IRXDYDNUSA-N	1	0	365.503	1.487	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C	ZINC000506349271	688562995	/nfs/dbraw/zinc/56/29/95/688562995.db2.gz	ZDBBWMOWSKCZQL-KBXCAEBGSA-N	1	0	352.479	1.000	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2CS(N)(=O)=O)cc1Cl	ZINC000510658324	689405169	/nfs/dbraw/zinc/40/51/69/689405169.db2.gz	NFMDGWKOIOSWNT-ZDUSSCGKSA-N	1	0	370.862	1.293	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1	ZINC000511064593	689457462	/nfs/dbraw/zinc/45/74/62/689457462.db2.gz	LCMLYPYLZJYQED-HZPDHXFCSA-N	1	0	359.536	1.403	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1	ZINC000511535380	689532746	/nfs/dbraw/zinc/53/27/46/689532746.db2.gz	FJASUWJONIIRMJ-OAHLLOKOSA-N	1	0	370.247	1.258	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1	ZINC000515494755	689865538	/nfs/dbraw/zinc/86/55/38/689865538.db2.gz	ZGVXQEXKBBSICB-LSDHHAIUSA-N	1	0	353.369	1.866	20	30		FDEDRO
CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1c(C)nn(C)c1C	ZINC000515529416	689869635	/nfs/dbraw/zinc/86/96/35/689869635.db2.gz	HMSKMMOHHOHBFD-OAHLLOKOSA-N	1	0	361.471	1.818	20	30		FDEDRO
CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@H]([NH3+])CCCC#N	ZINC000516864096	689999245	/nfs/dbraw/zinc/99/92/45/689999245.db2.gz	OPPLCKOZXBDYTE-LLVKDONJSA-N	1	0	368.235	1.262	20	30		FDEDRO
C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000517038215	690027492	/nfs/dbraw/zinc/02/74/92/690027492.db2.gz	OJZKBRMBGQZZBI-KOLCDFICSA-N	1	0	358.261	1.821	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)nc1	ZINC000517230790	690047578	/nfs/dbraw/zinc/04/75/78/690047578.db2.gz	IGZBZDQHQSDQPT-HOCLYGCPSA-N	1	0	367.496	1.371	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]23)CC1	ZINC000517988166	690110707	/nfs/dbraw/zinc/11/07/07/690110707.db2.gz	KAUWNLRIGCMGDZ-HLLBOEOZSA-N	1	0	366.531	1.479	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNS(=O)(=O)Cc2ccc(CC#N)cc2)CCCO1	ZINC000519543282	690219222	/nfs/dbraw/zinc/21/92/22/690219222.db2.gz	RQWQDJPTEQKFPK-MRXNPFEDSA-N	1	0	365.499	1.673	20	30		FDEDRO
CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cccc(Br)c1C#N	ZINC000528049347	694697383	/nfs/dbraw/zinc/69/73/83/694697383.db2.gz	ORCXBDNIASZFJH-ZDUSSCGKSA-N	1	0	372.288	1.939	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)NC1(C[NH3+])CCOCC1	ZINC000528054903	694697986	/nfs/dbraw/zinc/69/79/86/694697986.db2.gz	DAWKVXFYJAPJEN-UHFFFAOYSA-N	1	0	374.260	1.107	20	30		FDEDRO
C=CCCOCCNC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1	ZINC000535280915	694903540	/nfs/dbraw/zinc/90/35/40/694903540.db2.gz	PYULZWKTMCVRMM-UHFFFAOYSA-N	1	0	352.523	1.779	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)n1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1	ZINC000640884315	695640478	/nfs/dbraw/zinc/64/04/78/695640478.db2.gz	XOVRNWMFZXCIHD-YGRLFVJLSA-N	1	0	364.247	1.952	20	30		FDEDRO
N#Cc1ccccc1Oc1nc(Cl)ncc1N1CCN2CC[NH2+]C[C@H]2C1	ZINC001164400361	718843361	/nfs/dbraw/zinc/84/33/61/718843361.db2.gz	XOSAOSAOVRDBOK-AWEZNQCLSA-N	1	0	370.844	1.888	20	30		FDEDRO
CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cncc(C#N)n3)CC[C@@H]21	ZINC001164841331	720519699	/nfs/dbraw/zinc/51/96/99/720519699.db2.gz	YKKISIGOLDFSKK-NJAFHUGGSA-N	1	0	351.458	1.923	20	30		FDEDRO
N#Cc1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1	ZINC001164739779	720598209	/nfs/dbraw/zinc/59/82/09/720598209.db2.gz	HFPYKGSNKXCDPX-KBPBESRZSA-N	1	0	356.817	1.739	20	30		FDEDRO
N#Cc1cnc(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164745722	720650040	/nfs/dbraw/zinc/65/00/40/720650040.db2.gz	VVJJYXXIHRQZJY-STQMWFEESA-N	1	0	357.805	1.134	20	30		FDEDRO
Cc1cc(C#N)c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1C	ZINC001164738432	720674578	/nfs/dbraw/zinc/67/45/78/720674578.db2.gz	JPGLDKDIJWCYLB-SJORKVTESA-N	1	0	350.426	1.702	20	30		FDEDRO
N#Cc1c[nH]c2nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)ccc12	ZINC001164738470	720712904	/nfs/dbraw/zinc/71/29/04/720712904.db2.gz	JWTPRKLSFIBDMQ-GJZGRUSLSA-N	1	0	361.409	1.566	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1	ZINC001164743553	720808276	/nfs/dbraw/zinc/80/82/76/720808276.db2.gz	GZIIXQRMVUNOPZ-GUDVDZBRSA-N	1	0	363.469	1.924	20	30		FDEDRO
N#Cc1nccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC001164747489	720810912	/nfs/dbraw/zinc/81/09/12/720810912.db2.gz	OEVXPACAVBCJPU-JFIYKMOQSA-N	1	0	364.457	1.319	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)c(F)cc3C#N)CC[C@H]2C1	ZINC001164850870	720833086	/nfs/dbraw/zinc/83/30/86/720833086.db2.gz	VLLZFSYJEZESOS-SWLSCSKDSA-N	1	0	368.840	1.919	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3cc(Cl)ncc3C#N)CC[C@@H]2C1	ZINC001164851887	720836802	/nfs/dbraw/zinc/83/68/02/720836802.db2.gz	IUHOWKNAPURDPM-CJNGLKHVSA-N	1	0	350.850	1.780	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3ncc(Cl)nc3C#N)CC[C@H]2C1	ZINC001164852819	720840799	/nfs/dbraw/zinc/84/07/99/720840799.db2.gz	LNASRWIPNBYXHK-GXTWGEPZSA-N	1	0	351.838	1.175	20	30		FDEDRO
N#Cc1cnc(Cl)nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164871460	721063683	/nfs/dbraw/zinc/06/36/83/721063683.db2.gz	YXRPKLHBRGHZFX-JKSUJKDBSA-N	1	0	370.844	1.876	20	30		FDEDRO
N#Cc1ccnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1F	ZINC001164864968	721087480	/nfs/dbraw/zinc/08/74/80/721087480.db2.gz	HUMLHJUPRLDUAK-DLBZAZTESA-N	1	0	353.401	1.967	20	30		FDEDRO
Cc1ncc(C#N)c(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1	ZINC001164888883	721401895	/nfs/dbraw/zinc/40/18/95/721401895.db2.gz	PBMIRTPRARESJA-QUCCMNQESA-N	1	0	370.501	1.422	20	30		FDEDRO
Cc1cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc(C#N)n1	ZINC001164888823	721417130	/nfs/dbraw/zinc/41/71/30/721417130.db2.gz	OSGUVCIIOQXSRX-FXAWDEMLSA-N	1	0	370.501	1.422	20	30		FDEDRO
Cc1ncc(C#N)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1	ZINC001164982500	722110364	/nfs/dbraw/zinc/11/03/64/722110364.db2.gz	WSIIGMGHTYHGSZ-MJGOQNOKSA-N	1	0	364.453	1.779	20	30		FDEDRO
Cc1nc(C#N)cnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164972500	722135693	/nfs/dbraw/zinc/13/56/93/722135693.db2.gz	AATNKNLIOAXLRE-HKUYNNGSSA-N	1	0	364.453	1.779	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)Cc2cnoc2)C1=O	ZINC001087203681	782235861	/nfs/dbraw/zinc/23/58/61/782235861.db2.gz	LKXQZRSVNSERKJ-PVAVHDDUSA-N	1	0	360.458	1.221	20	30		FDEDRO
C[N@H+](CCO)CCNC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1	ZINC000892220215	782314093	/nfs/dbraw/zinc/31/40/93/782314093.db2.gz	DYRMTMUPRZXGRK-UHFFFAOYSA-N	1	0	371.462	1.127	20	30		FDEDRO
C=CCCn1cc(CN[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)nn1	ZINC000657371637	782347127	/nfs/dbraw/zinc/34/71/27/782347127.db2.gz	XUIGYRVMTWJKDO-UYAOXDASSA-N	1	0	355.486	1.827	20	30		FDEDRO
[NH3+]C[C@H]1CN(C(=O)NCCOC(F)(F)C(F)(F)F)C[C@H]1C(F)(F)F	ZINC000892706346	790322481	/nfs/dbraw/zinc/32/24/81/790322481.db2.gz	UWYOMDAUAGNURI-NKWVEPMBSA-N	1	0	373.244	1.937	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)N2CC[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@H]32)C1	ZINC001022723156	782627013	/nfs/dbraw/zinc/62/70/13/782627013.db2.gz	KUGSPBAIIDJWHG-DOTOQJQBSA-N	1	0	369.469	1.291	20	30		FDEDRO
COC(=O)COc1ccc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)cc1	ZINC000274501370	768823630	/nfs/dbraw/zinc/82/36/30/768823630.db2.gz	VEHSBVOSFBGLJD-AUUYWEPGSA-N	1	0	361.442	1.943	20	30		FDEDRO
COC(=O)COc1ccc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)cc1	ZINC000274501379	768823890	/nfs/dbraw/zinc/82/38/90/768823890.db2.gz	VEHSBVOSFBGLJD-LIRRHRJNSA-N	1	0	361.442	1.943	20	30		FDEDRO
COc1ccc(OC)c(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1	ZINC000274642733	769076722	/nfs/dbraw/zinc/07/67/22/769076722.db2.gz	QTMSXNGNBAQCRL-UHFFFAOYSA-N	1	0	362.430	1.336	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1	ZINC000728189523	769853365	/nfs/dbraw/zinc/85/33/65/769853365.db2.gz	NUOPTHHOKCCCMY-GBESFXJTSA-N	1	0	354.454	1.506	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc3c2OCCO3)C1	ZINC001022736703	782796576	/nfs/dbraw/zinc/79/65/76/782796576.db2.gz	AFKNAQJNEFSITD-TWMKSMIVSA-N	1	0	358.438	1.786	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2c(C)cncc2C)C[C@H]1C	ZINC001104412986	782799327	/nfs/dbraw/zinc/79/93/27/782799327.db2.gz	YCIWMOVGOWEEDK-IAGOWNOFSA-N	1	0	358.486	1.688	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc3ccccc3c(=O)[nH]2)C1	ZINC001022737119	782800162	/nfs/dbraw/zinc/80/01/62/782800162.db2.gz	PUSVDNGTSZIRIA-CXUGXGMPSA-N	1	0	368.437	1.663	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](NC(=O)c2c(C)cc(C)nc2C)[C@@H](O)C1	ZINC000969600819	770517044	/nfs/dbraw/zinc/51/70/44/770517044.db2.gz	IFACPAPXFZQYME-GQIGUUNPSA-N	1	0	359.470	1.911	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C(=O)N(C)C)c2)C1	ZINC001020605373	770984515	/nfs/dbraw/zinc/98/45/15/770984515.db2.gz	FJAMOASXJPIGKE-MKXGPGLRSA-N	1	0	371.481	1.716	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H](O)c2cc(F)ccc2F)C1	ZINC001020605327	770984650	/nfs/dbraw/zinc/98/46/50/770984650.db2.gz	CHDAJFBEYMZJSH-NBZYUPRNSA-N	1	0	366.408	1.826	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccco2)[C@H]1C	ZINC001020622722	771020319	/nfs/dbraw/zinc/02/03/19/771020319.db2.gz	RSKRIMINEQJNBS-PNKHAZJDSA-N	1	0	369.465	1.586	20	30		FDEDRO
C[NH+](C)CCOCCNC(=O)c1cnn(CCC#N)c1-c1ccccc1	ZINC000430283031	771067851	/nfs/dbraw/zinc/06/78/51/771067851.db2.gz	HDVYXMHODSIGHM-UHFFFAOYSA-N	1	0	355.442	1.772	20	30		FDEDRO
Cn1cc([C@@H]2C[C@H]2C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)cn1	ZINC001022749718	782920853	/nfs/dbraw/zinc/92/08/53/782920853.db2.gz	UHBAXNHRRDWIJE-XWTMOSNGSA-N	1	0	367.428	1.971	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCNC2=O)C1	ZINC001104231576	771430752	/nfs/dbraw/zinc/43/07/52/771430752.db2.gz	HBJRDJJPZWVOPM-SJLPKXTDSA-N	1	0	362.518	1.854	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)C(=C)Cl)C[C@H]1C	ZINC001104237834	771475658	/nfs/dbraw/zinc/47/56/58/771475658.db2.gz	RPMJSMHFTDPLKG-IIAWOOMASA-N	1	0	367.921	1.977	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1	ZINC000966835550	771715322	/nfs/dbraw/zinc/71/53/22/771715322.db2.gz	OIPMFYAZIDNXRL-KSZLIROESA-N	1	0	363.502	1.370	20	30		FDEDRO
C[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000275377734	771758776	/nfs/dbraw/zinc/75/87/76/771758776.db2.gz	ZJBONMRMCBVOEK-SJLPKXTDSA-N	1	0	369.469	1.647	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(C[NH+](CC)CC)CC1	ZINC000430398553	771782206	/nfs/dbraw/zinc/78/22/06/771782206.db2.gz	YJIFAPYALXZKOC-MSOLQXFVSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]Cc2nnc(C)n2CC)CC1	ZINC001167274680	771852039	/nfs/dbraw/zinc/85/20/39/771852039.db2.gz	ZNHPACLPLBBVBI-CVEARBPZSA-N	1	0	361.490	1.574	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)C2	ZINC001112480995	771853114	/nfs/dbraw/zinc/85/31/14/771853114.db2.gz	ASSWNUNUOYSZKK-OAZSGXBTSA-N	1	0	360.498	1.831	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC2(CCNC(=O)[C@@H]3CCO[C@H]3C=C)CC2)C1=O	ZINC001167277505	771856172	/nfs/dbraw/zinc/85/61/72/771856172.db2.gz	MCBYSTIIBRZISW-IKGGRYGDSA-N	1	0	361.486	1.241	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC2(CCNC(=O)[C@@H]3CCO[C@H]3C=C)CC2)C1=O	ZINC001167277506	771856312	/nfs/dbraw/zinc/85/63/12/771856312.db2.gz	MCBYSTIIBRZISW-ZACQAIPSSA-N	1	0	361.486	1.241	20	30		FDEDRO
C=CCN(C)CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1	ZINC000588527303	782964271	/nfs/dbraw/zinc/96/42/71/782964271.db2.gz	QOCZCLGXDNSDKW-DHDCSXOGSA-N	1	0	363.483	1.249	20	30		FDEDRO
C[C@@H](NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1C[NH+](Cc2cccc(C#N)c2)C1	ZINC000970178565	771916055	/nfs/dbraw/zinc/91/60/55/771916055.db2.gz	JFSIAJGVNNWCLD-XTHJOECLSA-N	1	0	351.450	1.918	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc3n(n2)CCCC3)C1	ZINC000970241710	772184598	/nfs/dbraw/zinc/18/45/98/772184598.db2.gz	MOPGQNGIZWSKFP-MNEFBYGVSA-N	1	0	358.486	1.891	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCC)C1)OCC	ZINC001104255386	772433274	/nfs/dbraw/zinc/43/32/74/772433274.db2.gz	NKIIRAYSQXLOFU-KZNAEPCWSA-N	1	0	367.534	1.958	20	30		FDEDRO
CC(C)CNC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000890965766	772523866	/nfs/dbraw/zinc/52/38/66/772523866.db2.gz	OHKVUWISXGUBDQ-GOSISDBHSA-N	1	0	359.470	1.782	20	30		FDEDRO
CC(C)CNC(=O)C1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000890965767	772523904	/nfs/dbraw/zinc/52/39/04/772523904.db2.gz	OHKVUWISXGUBDQ-SFHVURJKSA-N	1	0	359.470	1.782	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCNC(=O)COC)C[C@H]1C	ZINC001104262804	772550031	/nfs/dbraw/zinc/55/00/31/772550031.db2.gz	NXWHHLKCZFKYJG-BRWVUGGUSA-N	1	0	353.507	1.568	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ccc(C(N)=O)cc2)C1	ZINC000970447730	772678453	/nfs/dbraw/zinc/67/84/53/772678453.db2.gz	SAYZXJAPOJUOAT-XWIAVFTESA-N	1	0	357.454	1.313	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)n2nnnc2C(C)(C)C)C[C@H]1C	ZINC001104276647	772729733	/nfs/dbraw/zinc/72/97/33/772729733.db2.gz	CTDQGCZSXNYYGM-BZUAXINKSA-N	1	0	360.506	1.629	20	30		FDEDRO
CCc1cc(N2CCC([NH2+][C@H](C(N)=O)c3ccc(C#N)cc3)CC2)ncn1	ZINC000479392649	783038027	/nfs/dbraw/zinc/03/80/27/783038027.db2.gz	OICWQSQQOOVGFB-IBGZPJMESA-N	1	0	364.453	1.696	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2[nH]ccc2C2CC2)C[C@H]1C	ZINC001104278421	772738389	/nfs/dbraw/zinc/73/83/89/772738389.db2.gz	WRKXTYDVWXYYIB-BFYDXBDKSA-N	1	0	370.497	1.718	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C3CC3)C2)CCC1	ZINC001104280010	772757812	/nfs/dbraw/zinc/75/78/12/772757812.db2.gz	YWHQHXDONXVIIE-IAGOWNOFSA-N	1	0	359.514	1.875	20	30		FDEDRO
C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1	ZINC000275643338	772913627	/nfs/dbraw/zinc/91/36/27/772913627.db2.gz	FCUFMDBYMVOVAP-HNNXBMFYSA-N	1	0	357.458	1.385	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCn2nc(C)nc2C)C1	ZINC000970571431	772988820	/nfs/dbraw/zinc/98/88/20/772988820.db2.gz	KIWZSKZTHNICQF-KKXDTOCCSA-N	1	0	361.490	1.313	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ccn(C)c(=O)c2)C1	ZINC000970572810	772990479	/nfs/dbraw/zinc/99/04/79/772990479.db2.gz	ZXWMKHCMRPLWOH-FNHZYXHNSA-N	1	0	359.470	1.303	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@@H](O)C1	ZINC000970636495	773161330	/nfs/dbraw/zinc/16/13/30/773161330.db2.gz	ROMCLABRHCGQLW-BIENJYKASA-N	1	0	369.481	1.099	20	30		FDEDRO
C#Cc1cccc(NC(=O)NC(=O)CN2CC[NH+](C3CCOCC3)CC2)c1	ZINC001167586804	783077343	/nfs/dbraw/zinc/07/73/43/783077343.db2.gz	QPPOJDYWJZRHFR-UHFFFAOYSA-N	1	0	370.453	1.113	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H](O)[C@H](O)c2nc3ccccc3[nH]2)CC1	ZINC000275714113	773265868	/nfs/dbraw/zinc/26/58/68/773265868.db2.gz	RCZXKPFJTCBVPS-IRXDYDNUSA-N	1	0	358.442	1.114	20	30		FDEDRO
CC(C)[C@H](C(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1)[NH+](C)C	ZINC001021428358	773307225	/nfs/dbraw/zinc/30/72/25/773307225.db2.gz	HOSLXINNAYMLSP-IAOVAPTHSA-N	1	0	357.458	1.145	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnn(C)n2)C1	ZINC001104294023	773877413	/nfs/dbraw/zinc/87/74/13/773877413.db2.gz	RFAMGQKKYCRBPX-HZPDHXFCSA-N	1	0	356.474	1.691	20	30		FDEDRO
CCCCCCCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1	ZINC001104294384	773880104	/nfs/dbraw/zinc/88/01/04/773880104.db2.gz	MUGCTSDANACRLW-IAGOWNOFSA-N	1	0	355.523	1.923	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c[nH]nc1[C@@H]1CCOC1)C2	ZINC001112493930	773929036	/nfs/dbraw/zinc/92/90/36/773929036.db2.gz	IUJZOHFUXRDCMF-GUXCAODWSA-N	1	0	356.470	1.769	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCCN(c3ccc(C)nn3)C2)C1	ZINC000328709017	773999229	/nfs/dbraw/zinc/99/92/29/773999229.db2.gz	MIDLEDJXTYBXRT-SJORKVTESA-N	1	0	360.506	1.989	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1	ZINC001021587914	774091486	/nfs/dbraw/zinc/09/14/86/774091486.db2.gz	KQCOJHBXCKUXCM-IPMKNSEASA-N	1	0	357.498	1.580	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cnc3nccnc3c2)C[C@H]1C	ZINC001104299745	774116025	/nfs/dbraw/zinc/11/60/25/774116025.db2.gz	SXVNBOXONPFTRR-HZPDHXFCSA-N	1	0	369.469	1.915	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1	ZINC001021591459	774124248	/nfs/dbraw/zinc/12/42/48/774124248.db2.gz	SMOAIPAREZOWMT-IPMKNSEASA-N	1	0	357.498	1.722	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)N2CCOCC2)C1	ZINC001211551318	783154837	/nfs/dbraw/zinc/15/48/37/783154837.db2.gz	IUMKOBALBUKQON-RBUKOAKNSA-N	1	0	371.481	1.396	20	30		FDEDRO
COC(=O)[C@@H](F)CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000891270393	774274301	/nfs/dbraw/zinc/27/43/01/774274301.db2.gz	RONNXEWCEHUDDC-INIZCTEOSA-N	1	0	362.405	1.287	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)OC(C)(C)O2	ZINC000275883011	774330644	/nfs/dbraw/zinc/33/06/44/774330644.db2.gz	OMLAPLKUNUVUOD-UHFFFAOYSA-N	1	0	374.441	1.826	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc3c(=O)[nH]c(C)cn3n1)C2	ZINC001112496236	774332931	/nfs/dbraw/zinc/33/29/31/774332931.db2.gz	NPSXULHGHJBIDT-YWZLYKJASA-N	1	0	369.469	1.739	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21	ZINC001021643222	774343429	/nfs/dbraw/zinc/34/34/29/774343429.db2.gz	PQULQXPBEGWDHK-BMGDILEWSA-N	1	0	369.469	1.432	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C4CCCC4)[C@@H]3C2)CC1	ZINC000971032714	774493176	/nfs/dbraw/zinc/49/31/76/774493176.db2.gz	KVZRKTPBVPCNRY-RTBURBONSA-N	1	0	357.498	1.581	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC1(C[NH2+]CCOCCOC)CC1	ZINC001167421904	774557146	/nfs/dbraw/zinc/55/71/46/774557146.db2.gz	BDCJMPSVSQAAJI-ROUUACIJSA-N	1	0	368.518	1.897	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC1(C[NH2+][C@@H](C)C(=O)NC)CC1	ZINC001167422228	774561564	/nfs/dbraw/zinc/56/15/64/774561564.db2.gz	LJAJXRLFRJGIAX-JYJNAYRXSA-N	1	0	351.491	1.368	20	30		FDEDRO
FC1(F)[C@@H]2C[NH+](CCn3cnnn3)C[C@H]2C(F)(F)C(F)(F)C1(F)F	ZINC000932939743	774588650	/nfs/dbraw/zinc/58/86/50/774588650.db2.gz	IYZLKBKFZKMHIZ-RNFRBKRXSA-N	1	0	365.228	1.776	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cc(C)n(CCC#N)n1	ZINC000275946224	774746774	/nfs/dbraw/zinc/74/67/74/774746774.db2.gz	QAUPTBSUUNCQKN-CABCVRRESA-N	1	0	358.446	1.129	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(=O)N[C@@H](C)CC)CC1	ZINC001167434985	774824691	/nfs/dbraw/zinc/82/46/91/774824691.db2.gz	BXDOTXLHZUQXQQ-BQFCYCMXSA-N	1	0	365.518	1.758	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(=O)N(C)C(C)C)CC1	ZINC001167435358	774844613	/nfs/dbraw/zinc/84/46/13/774844613.db2.gz	VEATYHAJRMGYLP-WMZOPIPTSA-N	1	0	365.518	1.711	20	30		FDEDRO
C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2CCc3ccc(C#N)cc32)C1	ZINC000275990613	774889320	/nfs/dbraw/zinc/88/93/20/774889320.db2.gz	QJGYKTJRECJEHX-SJORKVTESA-N	1	0	352.438	1.390	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2cccc(C)c2OC)CC1	ZINC000656311164	774898903	/nfs/dbraw/zinc/89/89/03/774898903.db2.gz	KCGUESANBNAIQU-UHFFFAOYSA-N	1	0	359.470	1.777	20	30		FDEDRO
C[NH+]=C(NCc1ccn(-c2ccccc2)n1)N1CCC[C@@H](CC(N)=O)C1	ZINC000261776899	775012703	/nfs/dbraw/zinc/01/27/03/775012703.db2.gz	OTMSWCLAVFTBNS-HNNXBMFYSA-N	1	0	354.458	1.535	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnnc3ccccc32)C[C@H]1C	ZINC001104726483	790400962	/nfs/dbraw/zinc/40/09/62/790400962.db2.gz	KHWSKYNRQWFOAP-IAGOWNOFSA-N	1	0	366.465	1.967	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)Cc2cnccc2OC)C[C@H]1C	ZINC001104345892	776040087	/nfs/dbraw/zinc/04/00/87/776040087.db2.gz	YUOUDTIUTZOORH-IAGOWNOFSA-N	1	0	359.470	1.357	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2c[nH]c(C#N)c2)C1=O	ZINC001087152132	776084815	/nfs/dbraw/zinc/08/48/15/776084815.db2.gz	CVEMOPNFOHQKHZ-JLSDUUJJSA-N	1	0	369.469	1.504	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)NC(=O)c1cccs1)C2	ZINC001112503351	776102018	/nfs/dbraw/zinc/10/20/18/776102018.db2.gz	LXLQUVXMGJMMPO-DOXZYTNZSA-N	1	0	359.495	1.718	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@]45C[C@H]4CCC5)C[C@H]32)CC1	ZINC001021884321	776498344	/nfs/dbraw/zinc/49/83/44/776498344.db2.gz	WKVSHTVMUIRSQE-JZJXAQOMSA-N	1	0	369.509	1.581	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)c4cocc4C)C[C@H]32)CC1	ZINC001021886836	776502622	/nfs/dbraw/zinc/50/26/22/776502622.db2.gz	VQAPLPVPCYKEOQ-PKOBYXMFSA-N	1	0	369.465	1.606	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]21	ZINC001021939295	776749776	/nfs/dbraw/zinc/74/97/76/776749776.db2.gz	GVUKZPNNTBANQM-JENIJYKNSA-N	1	0	370.497	1.689	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)C[N@@H+](C)C4CCC4)[C@@H]3C2)cn1	ZINC001021942106	776760757	/nfs/dbraw/zinc/76/07/57/776760757.db2.gz	ZXMZBNRRMMLEAV-QFBILLFUSA-N	1	0	366.465	1.220	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(F)F)C[C@H]1c1ccccc1	ZINC001211514985	776936897	/nfs/dbraw/zinc/93/68/97/776936897.db2.gz	ITAYBJCMKHVBLU-VNQPRFMTSA-N	1	0	365.424	1.917	20	30		FDEDRO
C=C(C)C[C@@H](CO)NC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1	ZINC000891413136	776947432	/nfs/dbraw/zinc/94/74/32/776947432.db2.gz	WCBILXPQBJYYLY-KRWDZBQOSA-N	1	0	374.485	1.210	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cccn(C(C)(C)C)c3=O)[C@H]2C1	ZINC001083218605	776970554	/nfs/dbraw/zinc/97/05/54/776970554.db2.gz	BJJRSWUPOBBOJD-DLBZAZTESA-N	1	0	359.470	1.705	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)CCS(=O)(=O)CC(C)C)C[C@H]1C	ZINC001104356715	776997376	/nfs/dbraw/zinc/99/73/76/776997376.db2.gz	JWIDUPZQYWKJCS-IAGOWNOFSA-N	1	0	356.532	1.545	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1	ZINC001022020253	777152914	/nfs/dbraw/zinc/15/29/14/777152914.db2.gz	JFTLHQYUWGAPIG-LZLYRXPVSA-N	1	0	358.486	1.687	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2nnn(C)n2)C1	ZINC001075422200	777270389	/nfs/dbraw/zinc/27/03/89/777270389.db2.gz	QHUQBVMYXDMPFX-GDBMZVCRSA-N	1	0	358.421	1.371	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnn3cccnc13)C2	ZINC001112505771	777353515	/nfs/dbraw/zinc/35/35/15/777353515.db2.gz	HNHSQDIVVWMEMC-JXFKEZNVSA-N	1	0	369.469	1.764	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cnnn2C)[C@H](C[NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC001087160084	777613921	/nfs/dbraw/zinc/61/39/21/777613921.db2.gz	UPPODVNTKHHTBY-CJNGLKHVSA-N	1	0	370.432	1.856	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cnnn2C)[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001087160233	777743257	/nfs/dbraw/zinc/74/32/57/777743257.db2.gz	AUANINAVOFZBOX-PBHICJAKSA-N	1	0	352.442	1.717	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cnc3ccc(OC)nn32)C[C@H]1C	ZINC001104365187	777753751	/nfs/dbraw/zinc/75/37/51/777753751.db2.gz	XZLUQKXOKOYFKE-HUUCEWRRSA-N	1	0	355.442	1.449	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)o1	ZINC000276520622	777892399	/nfs/dbraw/zinc/89/23/99/777892399.db2.gz	COTIHSNBIXVBJP-RDJZCZTQSA-N	1	0	357.458	1.814	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1	ZINC001022099177	777904950	/nfs/dbraw/zinc/90/49/50/777904950.db2.gz	YWBNJFBHOZDEDF-VDNDLQMASA-N	1	0	370.453	1.218	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCO[C@H]3C(C)C)C2)C1=O	ZINC001022102457	777934314	/nfs/dbraw/zinc/93/43/14/777934314.db2.gz	SJIMEWZNSVLBHN-RZFLPCETSA-N	1	0	363.502	1.461	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3ccncc3)C2)C1=O	ZINC001022105485	777965004	/nfs/dbraw/zinc/96/50/04/777965004.db2.gz	GULPDGWYGUDXJL-RZFLPCETSA-N	1	0	354.454	1.209	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cn(C)nn2)[C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC001087161464	777989104	/nfs/dbraw/zinc/98/91/04/777989104.db2.gz	LYPNJYTYGYGMDM-CJNGLKHVSA-N	1	0	370.432	1.856	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1	ZINC000933436969	778127905	/nfs/dbraw/zinc/12/79/05/778127905.db2.gz	XNXHJWNRXFNFDF-CRAIPNDOSA-N	1	0	362.495	1.896	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1	ZINC000891501071	778152578	/nfs/dbraw/zinc/15/25/78/778152578.db2.gz	YYCPOIXBNONCQR-JSGCOSHPSA-N	1	0	356.348	1.868	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC(C)C)C[C@H]1c1ccccc1	ZINC001211518889	778325162	/nfs/dbraw/zinc/32/51/62/778325162.db2.gz	GBMJJRJHVSPXMZ-NZSAHSFTSA-N	1	0	355.482	1.755	20	30		FDEDRO
CC(C)[NH+]1CCN(C2CCN(C(=O)N[C@@H](C)c3cnn(C)c3)CC2)CC1	ZINC000328831906	778444909	/nfs/dbraw/zinc/44/49/09/778444909.db2.gz	KMGBUHZKIRFNFB-INIZCTEOSA-N	1	0	362.522	1.886	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)CC4(C)CC4)[C@@H]3C2)CC1	ZINC001022190757	778529989	/nfs/dbraw/zinc/52/99/89/778529989.db2.gz	MNTPMTBXUVJOPW-ZWKOTPCHSA-N	1	0	357.498	1.581	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]3C2)c1	ZINC001022224123	778726667	/nfs/dbraw/zinc/72/66/67/778726667.db2.gz	MMTMETYAICSELG-RYQLBKOJSA-N	1	0	354.454	1.076	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)NCC#C[C@@H]3CCCCO3)cn2)CC1	ZINC000891715837	779169038	/nfs/dbraw/zinc/16/90/38/779169038.db2.gz	IBQKFHPLIGGQPU-SFHVURJKSA-N	1	0	371.485	1.205	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)NCCC[NH+]3CCCCC3)CC2)c1C#N	ZINC000471831177	779184775	/nfs/dbraw/zinc/18/47/75/779184775.db2.gz	KMIBTSSLEICMRJ-UHFFFAOYSA-N	1	0	373.505	1.308	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)[C@H](C4CC4)[NH+](C)C)C[C@H]32)nc1	ZINC001022294410	779193352	/nfs/dbraw/zinc/19/33/52/779193352.db2.gz	FRCOQQGADPIWKD-UHOSZYNNSA-N	1	0	366.465	1.076	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C4=CCCC4)[C@@H]3C2)CC1	ZINC000971800516	779236997	/nfs/dbraw/zinc/23/69/97/779236997.db2.gz	XXLGGSCZWLGMIH-RTBURBONSA-N	1	0	355.482	1.501	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc2c(c1)nnn2C	ZINC001111490060	779240374	/nfs/dbraw/zinc/24/03/74/779240374.db2.gz	SLWLGSURAPIROW-ZIGSKRJUSA-N	1	0	369.469	1.781	20	30		FDEDRO
COC(=O)c1cc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c[nH]1	ZINC000276766121	779417131	/nfs/dbraw/zinc/41/71/31/779417131.db2.gz	AQDRPEOYTVXPLD-MRXNPFEDSA-N	1	0	352.394	1.564	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1	ZINC000471871740	779466897	/nfs/dbraw/zinc/46/68/97/779466897.db2.gz	MSVOXKKADPQTNZ-QZTJIDSGSA-N	1	0	358.486	1.670	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CNC(=O)NCC#C[C@H]2CCCCO2)cc1	ZINC000891815784	779550117	/nfs/dbraw/zinc/55/01/17/779550117.db2.gz	DRTAKQBRCKOBOB-GOSISDBHSA-N	1	0	359.470	1.999	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCc2c(=O)[nH]n(C)c2C1)C(C)C	ZINC000891939574	780302364	/nfs/dbraw/zinc/30/23/64/780302364.db2.gz	BETZPUHOEIJJDG-INIZCTEOSA-N	1	0	361.490	1.892	20	30		FDEDRO
CN(CC(C)(C)C#N)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000458239158	780594996	/nfs/dbraw/zinc/59/49/96/780594996.db2.gz	GYEDWFDFARWNLH-UHFFFAOYSA-N	1	0	359.474	1.669	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2snnc2CC)C[C@H]1C	ZINC001104395465	780967228	/nfs/dbraw/zinc/96/72/28/780967228.db2.gz	PBSAXAVDFIMCMW-CHWSQXEVSA-N	1	0	365.503	1.091	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)C(F)(F)F)C2	ZINC001112509542	781054914	/nfs/dbraw/zinc/05/49/14/781054914.db2.gz	BWPBORJAHUPSBH-XEZPLFJOSA-N	1	0	359.392	1.153	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1)C(F)(F)F	ZINC001112509912	781057352	/nfs/dbraw/zinc/05/73/52/781057352.db2.gz	QEGNWHXKOCBCMP-XUJVJEKNSA-N	1	0	360.380	1.043	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C)nc4c3cnn4C)[C@H]2C1	ZINC001083235191	781320340	/nfs/dbraw/zinc/32/03/40/781320340.db2.gz	RAPDCOFQBNBQLR-DLBZAZTESA-N	1	0	355.442	1.378	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)[N@H+](C)C1	ZINC000329024162	781369404	/nfs/dbraw/zinc/36/94/04/781369404.db2.gz	NEOAXNXLMVTNNV-PVAVHDDUSA-N	1	0	366.506	1.137	20	30		FDEDRO
C=C1CC(C)(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)C1	ZINC000972312874	783232505	/nfs/dbraw/zinc/23/25/05/783232505.db2.gz	LDQGZTHLTFJCEJ-FGTMMUONSA-N	1	0	357.498	1.744	20	30		FDEDRO
C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)Nc1cccc(CC#N)c1	ZINC000892286753	783439138	/nfs/dbraw/zinc/43/91/38/783439138.db2.gz	BCVIUFUDQNTYTA-HNNXBMFYSA-N	1	0	363.421	1.823	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1c1ccccc1	ZINC001211629198	783700682	/nfs/dbraw/zinc/70/06/82/783700682.db2.gz	DEINMNPRRCMWBE-RBUKOAKNSA-N	1	0	370.497	1.952	20	30		FDEDRO
C=CCn1c([C@@H]2CCO[C@@H]2C)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000647372612	783745760	/nfs/dbraw/zinc/74/57/60/783745760.db2.gz	QKYCRLFNQMWPPM-IXDOHACOSA-N	1	0	361.490	1.515	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3ccsc3)C[C@H]21	ZINC000972834622	783900911	/nfs/dbraw/zinc/90/09/11/783900911.db2.gz	CDYPUTYCAHZDEE-HYVNUMGLSA-N	1	0	357.479	1.519	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C3(C(F)F)CC3)C[C@H]21	ZINC000972834598	783901133	/nfs/dbraw/zinc/90/11/33/783901133.db2.gz	AOVQYGYJIZBYSF-QLFBSQMISA-N	1	0	365.424	1.189	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3ccn(C)c3C)C[C@H]21	ZINC000972835483	783904025	/nfs/dbraw/zinc/90/40/25/783904025.db2.gz	VZUQISXNDOGEPY-NZSAHSFTSA-N	1	0	368.481	1.104	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3cc(C)c(C)o3)C[C@H]21	ZINC000972835442	783904185	/nfs/dbraw/zinc/90/41/85/783904185.db2.gz	UNKZBHWOIVVCQL-FGTMMUONSA-N	1	0	369.465	1.667	20	30		FDEDRO
C=CCN(C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@@H](C)COC	ZINC000658375924	783954682	/nfs/dbraw/zinc/95/46/82/783954682.db2.gz	NJRAZGAZPQPMDO-AWEZNQCLSA-N	1	0	363.462	1.138	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)NCC(=O)NCC#N	ZINC000377048603	791007092	/nfs/dbraw/zinc/00/70/92/791007092.db2.gz	UJPHJFBQTBPPOR-NVXWUHKLSA-N	1	0	357.458	1.178	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1	ZINC000658534424	784226795	/nfs/dbraw/zinc/22/67/95/784226795.db2.gz	BQUCSUIBOHAASF-GOSISDBHSA-N	1	0	365.518	1.810	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2nncn2C)C1	ZINC001024191808	784290034	/nfs/dbraw/zinc/29/00/34/784290034.db2.gz	DVFAHWAXQABEJC-RYRKJORJSA-N	1	0	361.490	1.515	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000658613911	784665082	/nfs/dbraw/zinc/66/50/82/784665082.db2.gz	JUZCFPLDAUDKJB-SFHVURJKSA-N	1	0	373.497	1.818	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C1	ZINC000658624396	784706948	/nfs/dbraw/zinc/70/69/48/784706948.db2.gz	NJMSQPJDZYAAMR-IAGOWNOFSA-N	1	0	363.502	1.513	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](OCC[NH+](CC)CC)C2)C1	ZINC000658659743	784805132	/nfs/dbraw/zinc/80/51/32/784805132.db2.gz	KDYFOQOCUKNEIO-ZWKOTPCHSA-N	1	0	365.518	1.760	20	30		FDEDRO
C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C	ZINC001024490155	784889639	/nfs/dbraw/zinc/88/96/39/784889639.db2.gz	IFQBNAPMQGUEDE-KZNAEPCWSA-N	1	0	358.486	1.882	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCCC(=O)N2)C[C@H]1c1ccccc1	ZINC001211631828	784909469	/nfs/dbraw/zinc/90/94/69/784909469.db2.gz	QNVRIZIUTCDVSY-GBESFXJTSA-N	1	0	353.466	1.653	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1OC	ZINC000375808867	784959426	/nfs/dbraw/zinc/95/94/26/784959426.db2.gz	DLUKWIMZYGVVBJ-IRXDYDNUSA-N	1	0	360.454	1.931	20	30		FDEDRO
CN(C[C@H]1CC[N@H+](C)C1)C(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000364520113	785080525	/nfs/dbraw/zinc/08/05/25/785080525.db2.gz	VIIXQDCRDQEEGF-ZWKOTPCHSA-N	1	0	354.454	1.459	20	30		FDEDRO
COCC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCOCCCOC)C1	ZINC001111931407	785169753	/nfs/dbraw/zinc/16/97/53/785169753.db2.gz	DVUUVTGJFJMKJH-HKUYNNGSSA-N	1	0	352.475	1.050	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC1	ZINC000365206463	785330707	/nfs/dbraw/zinc/33/07/07/785330707.db2.gz	KDLQDHKQXZLYMP-GOSISDBHSA-N	1	0	369.469	1.125	20	30		FDEDRO
C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)n2cccn2)C1	ZINC001111932696	785347885	/nfs/dbraw/zinc/34/78/85/785347885.db2.gz	GVBVVDUTHGBYQZ-BXWFABGCSA-N	1	0	359.474	1.107	20	30		FDEDRO
C=CC[C@@H](CO)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC	ZINC000413776120	785365247	/nfs/dbraw/zinc/36/52/47/785365247.db2.gz	BLWKIKQRFNBTOK-CEXWTWQISA-N	1	0	361.486	1.760	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1=O	ZINC000375989570	785464144	/nfs/dbraw/zinc/46/41/44/785464144.db2.gz	SDNQNIJYQHHTEX-OALUTQOASA-N	1	0	370.497	1.937	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1c1ccccc1	ZINC001211637086	786575006	/nfs/dbraw/zinc/57/50/06/786575006.db2.gz	HXLFGFDJWDSTFD-DLBZAZTESA-N	1	0	350.422	1.001	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2C)C1	ZINC000431726416	786651052	/nfs/dbraw/zinc/65/10/52/786651052.db2.gz	QAPNPXLEPBVGEG-QGZVFWFLSA-N	1	0	372.469	1.765	20	30		FDEDRO
O=C(C[N@@H+]1CCC2(COC2)C1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000662073613	805746256	/nfs/dbraw/zinc/74/62/56/805746256.db2.gz	KDDPLFFLNOPOBP-UHFFFAOYSA-N	1	0	352.356	1.895	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)NCCn2cnc(C#N)n2)CC[N@@H+]1Cc1ccccc1	ZINC000376300421	787191913	/nfs/dbraw/zinc/19/19/13/787191913.db2.gz	JKKKULLLDZTLPT-WBVHZDCISA-N	1	0	367.457	1.502	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1	ZINC000936119987	787300152	/nfs/dbraw/zinc/30/01/52/787300152.db2.gz	RCQINJPNRUPESI-QRVBRYPASA-N	1	0	371.481	1.670	20	30		FDEDRO
C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NCCCN(C(C)C)S(C)(=O)=O	ZINC000662083725	805776982	/nfs/dbraw/zinc/77/69/82/805776982.db2.gz	JHHHCTINPKMDJA-IYBDPMFKSA-N	1	0	357.520	1.346	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cn1	ZINC000892585337	787480693	/nfs/dbraw/zinc/48/06/93/787480693.db2.gz	VTVRTEYIBJUUQL-MUJYYYPQSA-N	1	0	354.458	1.315	20	30		FDEDRO
N#CCNC(=O)CNC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21	ZINC000376416070	787682585	/nfs/dbraw/zinc/68/25/85/787682585.db2.gz	XKNTVHNLULEWDI-OKZBNKHCSA-N	1	0	369.469	1.226	20	30		FDEDRO
N#CCNC(=O)CNC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21	ZINC000376416068	787683159	/nfs/dbraw/zinc/68/31/59/787683159.db2.gz	XKNTVHNLULEWDI-FGTMMUONSA-N	1	0	369.469	1.226	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC23CC(C2)C[NH2+]3)cc1	ZINC000658986211	787721457	/nfs/dbraw/zinc/72/14/57/787721457.db2.gz	XYHWHOPHAYRLIF-UHFFFAOYSA-N	1	0	364.471	1.367	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1	ZINC001104557708	787832445	/nfs/dbraw/zinc/83/24/45/787832445.db2.gz	SSQHCCZRGOTLNA-ATZDWAIDSA-N	1	0	368.481	1.611	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NC)C1	ZINC001104562791	787916820	/nfs/dbraw/zinc/91/68/20/787916820.db2.gz	FXLKSGLETVDFCO-RBSFLKMASA-N	1	0	352.479	1.119	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NC)C1	ZINC001104562790	787917003	/nfs/dbraw/zinc/91/70/03/787917003.db2.gz	FXLKSGLETVDFCO-QLFBSQMISA-N	1	0	352.479	1.119	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCOCC2)C1	ZINC001104563525	787924355	/nfs/dbraw/zinc/92/43/55/787924355.db2.gz	NRLSLSLFDBUMIA-RCCFBDPRSA-N	1	0	365.518	1.522	20	30		FDEDRO
C#CC1(O)CN(C(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)C1	ZINC000892642224	787928512	/nfs/dbraw/zinc/92/85/12/787928512.db2.gz	OIYVOWMYYLDWBQ-AWEZNQCLSA-N	1	0	360.433	1.028	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000978863747	805847036	/nfs/dbraw/zinc/84/70/36/805847036.db2.gz	QUVQNZYPAICZGA-KLIQENQMSA-N	1	0	357.498	1.389	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(n2cc(C[NH2+]CCCF)nn2)C1	ZINC001105340916	805884179	/nfs/dbraw/zinc/88/41/79/805884179.db2.gz	WUKLCXLBEWTHIP-IRXDYDNUSA-N	1	0	365.453	1.482	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3cccnc32)C[C@H]1C	ZINC001104594371	788783713	/nfs/dbraw/zinc/78/37/13/788783713.db2.gz	UBRPNTGHHIOHTL-KBAYOESNSA-N	1	0	370.497	1.488	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2cccc(C)c2)C[C@H]1C	ZINC001104614860	788905117	/nfs/dbraw/zinc/90/51/17/788905117.db2.gz	UUZQASGXCUDZHX-IEBWSBKVSA-N	1	0	355.482	1.361	20	30		FDEDRO
C=CCN(C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H](C)COC	ZINC000659536932	789142737	/nfs/dbraw/zinc/14/27/37/789142737.db2.gz	AVDQBVIVLLYCHV-OLZOCXBDSA-N	1	0	352.401	1.055	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(Cl)[nH]2)C[C@H]1C	ZINC001104648723	789162613	/nfs/dbraw/zinc/16/26/13/789162613.db2.gz	PZVJMKOCGMYIBG-CHWSQXEVSA-N	1	0	350.850	1.105	20	30		FDEDRO
C=CCn1cc(CNC(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)nn1	ZINC000659553664	789168918	/nfs/dbraw/zinc/16/89/18/789168918.db2.gz	ALJXWEZMOPGGMU-IRXDYDNUSA-N	1	0	358.421	1.548	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NCC)C2)C1	ZINC001104651746	789174284	/nfs/dbraw/zinc/17/42/84/789174284.db2.gz	CFSOCSSYXBRUCC-HUUCEWRRSA-N	1	0	364.490	1.263	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2occc2C)C[C@H]1C	ZINC001104660268	789211383	/nfs/dbraw/zinc/21/13/83/789211383.db2.gz	SHOLMIYVDWFCKI-BRWVUGGUSA-N	1	0	359.470	1.343	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCc3nc[nH]c32)C[C@H]1C	ZINC001104664914	789231699	/nfs/dbraw/zinc/23/16/99/789231699.db2.gz	BEEVOZQYHWYJMV-ZACQAIPSSA-N	1	0	358.486	1.554	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2nc(C)no2)C[C@H]1c1ccccc1	ZINC001211646751	789239321	/nfs/dbraw/zinc/23/93/21/789239321.db2.gz	IUYYUJBFHPXQBD-ZWKOTPCHSA-N	1	0	352.438	1.918	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ncn(C(C)(C)C)n2)C[C@H]1C	ZINC001104674683	789292889	/nfs/dbraw/zinc/29/28/89/789292889.db2.gz	VZJHIUZZPDWILE-HZPDHXFCSA-N	1	0	361.490	1.371	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2cccnc2C)C[C@H]1C	ZINC001104675085	789294433	/nfs/dbraw/zinc/29/44/33/789294433.db2.gz	QHAQWSTTXVYWBE-SZVBFZGTSA-N	1	0	370.497	1.145	20	30		FDEDRO
C#CCn1ccc(CN(CC)c2cc(N3CCCC[C@@H]3CO)ncn2)n1	ZINC000278808529	789394827	/nfs/dbraw/zinc/39/48/27/789394827.db2.gz	IGLJHDGOTNCZGI-QGZVFWFLSA-N	1	0	354.458	1.684	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1CC[NH2+]CC#Cc1ccccc1	ZINC001104698758	789494778	/nfs/dbraw/zinc/49/47/78/789494778.db2.gz	LFBKWKJFSODMEB-IEBWSBKVSA-N	1	0	365.481	1.863	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(C)cc(F)c2)C[C@H]1C	ZINC001104716614	789676068	/nfs/dbraw/zinc/67/60/68/789676068.db2.gz	ZZCNSLOSGMNKMO-HZPDHXFCSA-N	1	0	359.445	1.571	20	30		FDEDRO
C=C[C@H](CO)[NH2+]CC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1	ZINC000662165717	806048486	/nfs/dbraw/zinc/04/84/86/806048486.db2.gz	MURFEXDVLZHKBY-RHSMWYFYSA-N	1	0	351.878	1.730	20	30		FDEDRO
C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1	ZINC000415189891	791611933	/nfs/dbraw/zinc/61/19/33/791611933.db2.gz	WRQGZCIONIQHFW-ZDUSSCGKSA-N	1	0	364.405	1.806	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)[NH+]1C[C@H]2CN(Cc3noc(CC)n3)C[C@@H]2C1	ZINC000377433787	791823934	/nfs/dbraw/zinc/82/39/34/791823934.db2.gz	URDQQEXXJZBBRI-GVDBMIGSSA-N	1	0	373.501	1.585	20	30		FDEDRO
C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)C1	ZINC000415282091	791829634	/nfs/dbraw/zinc/82/96/34/791829634.db2.gz	LYISEWHOURMFQT-HNNXBMFYSA-N	1	0	358.442	1.742	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1=O	ZINC001025794264	792065718	/nfs/dbraw/zinc/06/57/18/792065718.db2.gz	AMVLKFVCTPCOIR-FQESAXDCSA-N	1	0	359.514	1.892	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[N@@H+]2CCCN(C(=O)[C@H]3CCCO3)CC2)cc1	ZINC000377518270	792113258	/nfs/dbraw/zinc/11/32/58/792113258.db2.gz	FRAJMZHZXOTJKJ-GOSISDBHSA-N	1	0	370.453	1.600	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH2+]C)C2)cc1	ZINC000415372252	792119874	/nfs/dbraw/zinc/11/98/74/792119874.db2.gz	HITJLLPJSRXZPY-HNNXBMFYSA-N	1	0	359.430	1.143	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)/C=C\c2ccco2)C[C@H]1C(F)(F)F	ZINC001112035544	792241435	/nfs/dbraw/zinc/24/14/35/792241435.db2.gz	HBNYMFKJNQBZLK-YOVCOIKASA-N	1	0	356.344	1.922	20	30		FDEDRO
C[C@H]1CCCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)[C@H]1C[NH3+]	ZINC000415437559	792256712	/nfs/dbraw/zinc/25/67/12/792256712.db2.gz	KSQGYGJVUSFDER-LRDDRELGSA-N	1	0	356.405	2.474	20	30		FDEDRO
CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000415445692	792278943	/nfs/dbraw/zinc/27/89/43/792278943.db2.gz	GYGIZWXQAKPCKD-GOSISDBHSA-N	1	0	350.422	1.519	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)c1	ZINC000979278559	806161572	/nfs/dbraw/zinc/16/15/72/806161572.db2.gz	TYYLEHNGCJPATC-WZGPROSRSA-N	1	0	368.481	1.418	20	30		FDEDRO
C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N(C)CC[NH+]1CCCCC1	ZINC000652627178	806180185	/nfs/dbraw/zinc/18/01/85/806180185.db2.gz	TWUUCUBBTZDNTA-UHFFFAOYSA-N	1	0	358.494	1.880	20	30		FDEDRO
N#CCc1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc1	ZINC000377809708	792827960	/nfs/dbraw/zinc/82/79/60/792827960.db2.gz	RWPRRFKRPGIVTG-SZMVWBNQSA-N	1	0	352.438	1.634	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1[NH2+]CCc2ccccc21	ZINC000415701082	792834228	/nfs/dbraw/zinc/83/42/28/792834228.db2.gz	AWBFQYJTTGQXCJ-QGZVFWFLSA-N	1	0	364.405	1.509	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(F)c(NC(C)=O)c3)[C@H]2C1	ZINC001083288592	792878151	/nfs/dbraw/zinc/87/81/51/792878151.db2.gz	OJLWXSUJPMZBHI-ZWKOTPCHSA-N	1	0	361.417	1.885	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1	ZINC000415730064	792889471	/nfs/dbraw/zinc/88/94/71/792889471.db2.gz	SYYFLTQTOQXTEP-QGZVFWFLSA-N	1	0	356.470	1.250	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1	ZINC001087425007	806203907	/nfs/dbraw/zinc/20/39/07/806203907.db2.gz	AQHPOMYBPSBMCP-GUDVDZBRSA-N	1	0	353.466	1.510	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(n2cc(C[NH2+]CC[C@H](C)F)nn2)C1	ZINC001105342676	806212344	/nfs/dbraw/zinc/21/23/44/806212344.db2.gz	QNUGYUOMHXYNPF-JQFCIGGWSA-N	1	0	365.453	1.480	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)cc1C#N	ZINC000415851234	793168377	/nfs/dbraw/zinc/16/83/77/793168377.db2.gz	YYBHEPGBQSRAHM-INIZCTEOSA-N	1	0	358.442	1.918	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2snnc2C)C[C@H]1C(F)(F)F	ZINC001112043861	793271818	/nfs/dbraw/zinc/27/18/18/793271818.db2.gz	STQUJIBCARQINT-GHMZBOCLSA-N	1	0	364.393	1.642	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1	ZINC000415879803	793276308	/nfs/dbraw/zinc/27/63/08/793276308.db2.gz	QHRQIYFSTLARGF-QZTJIDSGSA-N	1	0	370.453	1.550	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN([C@@H](C)c3nnc(CC)[nH]3)C[C@H]21	ZINC001026101712	793301702	/nfs/dbraw/zinc/30/17/02/793301702.db2.gz	AYWRWHMZEJUSQY-FBZYFPJBSA-N	1	0	359.474	1.456	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)c1	ZINC000415902363	793329621	/nfs/dbraw/zinc/32/96/21/793329621.db2.gz	YCCJIEKNIIEXMX-RYUDHWBXSA-N	1	0	364.352	1.166	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cncc(N3CCCC3)n2)C[C@H]1C	ZINC001104756614	793455848	/nfs/dbraw/zinc/45/58/48/793455848.db2.gz	BHEMPOPIGCLNCS-IAGOWNOFSA-N	1	0	355.486	1.788	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)CC1	ZINC000651273655	793493582	/nfs/dbraw/zinc/49/35/82/793493582.db2.gz	URNUJGJKSGAWCS-KRWDZBQOSA-N	1	0	363.433	1.073	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1F	ZINC001104790680	793702833	/nfs/dbraw/zinc/70/28/33/793702833.db2.gz	BNSJIISAOYMVKL-CZUORRHYSA-N	1	0	370.432	1.714	20	30		FDEDRO
C[NH+]1CCC(n2ccc(NC(=O)NCc3nnc4n3CCCC4)n2)CC1	ZINC000330184753	793707730	/nfs/dbraw/zinc/70/77/30/793707730.db2.gz	IRQFJOWMGMANLV-UHFFFAOYSA-N	1	0	358.450	1.604	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)CCC(C)C)C[C@H]1C	ZINC001104799582	793752639	/nfs/dbraw/zinc/75/26/39/793752639.db2.gz	NROFBXUUIFNHFD-QZTJIDSGSA-N	1	0	365.518	1.263	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)Cn2c(C)cc(C)nc2=O)C[C@H]1C	ZINC001104842824	794020767	/nfs/dbraw/zinc/02/07/67/794020767.db2.gz	UCLZVGJHBQAVPH-MLGOLLRUSA-N	1	0	366.893	1.687	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1	ZINC000378361278	794026907	/nfs/dbraw/zinc/02/69/07/794026907.db2.gz	NLHNBQXQSYQEIA-KRWDZBQOSA-N	1	0	367.497	1.993	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)COCc2nncn2C)C[C@H]1C	ZINC001104857067	794086322	/nfs/dbraw/zinc/08/63/22/794086322.db2.gz	SACLNGIIRMXMNI-IXDOHACOSA-N	1	0	363.506	1.761	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)C[C@H]1C	ZINC001104872512	794168697	/nfs/dbraw/zinc/16/86/97/794168697.db2.gz	LRYLSBUFVIMXAD-HUUCEWRRSA-N	1	0	364.490	1.357	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)C[C@H](OC)C(F)(F)F)C[C@H]1C	ZINC001104879023	794187163	/nfs/dbraw/zinc/18/71/63/794187163.db2.gz	BGGRZEVWERRXJO-KFWWJZLASA-N	1	0	364.408	1.678	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)CCOC2CCOCC2)C[C@H]1C	ZINC001104888699	794227417	/nfs/dbraw/zinc/22/74/17/794227417.db2.gz	LDXBTNYAFGSHEO-QZTJIDSGSA-N	1	0	366.502	1.296	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(N)=O)C[C@H]1C	ZINC001104896462	794277771	/nfs/dbraw/zinc/27/77/71/794277771.db2.gz	ZXRWWDUZUDBGCF-ZACQAIPSSA-N	1	0	350.507	1.960	20	30		FDEDRO
Cn1cc(N2CCC[C@H](N3CC[NH+](CCCC(C)(C)C#N)CC3)C2=O)cn1	ZINC000378533990	794284362	/nfs/dbraw/zinc/28/43/62/794284362.db2.gz	NGLSSGHQRAEVTH-SFHVURJKSA-N	1	0	372.517	1.863	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2c3c(nn2C)CCC3)C[C@H]1C	ZINC001104901865	794308008	/nfs/dbraw/zinc/30/80/08/794308008.db2.gz	WYJXHSDIUQTDII-HZPDHXFCSA-N	1	0	360.502	1.799	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C	ZINC001104901928	794308697	/nfs/dbraw/zinc/30/86/97/794308697.db2.gz	ZKOSXCBXUPQMLH-BZUAXINKSA-N	1	0	364.490	1.309	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnn3ccc(C)nc23)C[C@H]1C	ZINC001104918882	794377039	/nfs/dbraw/zinc/37/70/39/794377039.db2.gz	LAUZXXHTJQBTGL-NVXWUHKLSA-N	1	0	369.469	1.375	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1CC[NH2+]Cc1ccccc1C#N	ZINC001104927161	794426733	/nfs/dbraw/zinc/42/67/33/794426733.db2.gz	UGTVEVUNPFRGNN-OLMNPRSZSA-N	1	0	354.454	1.411	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](C)c3nncn3C)C2)cn1	ZINC001104927319	794428633	/nfs/dbraw/zinc/42/86/33/794428633.db2.gz	CHKBHFWWXQIUIC-BFYDXBDKSA-N	1	0	366.469	1.640	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NCC=C)C2)cn1	ZINC001104927814	794436486	/nfs/dbraw/zinc/43/64/86/794436486.db2.gz	WBAOCHHBJVSRJR-JFIYKMOQSA-N	1	0	368.481	1.441	20	30		FDEDRO
Cc1ccc(C)c(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)c1	ZINC001104948749	794526839	/nfs/dbraw/zinc/52/68/39/794526839.db2.gz	MIWFCZSRNFXXTD-IAGOWNOFSA-N	1	0	356.470	1.631	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C[C@H]1C	ZINC001104952368	794536411	/nfs/dbraw/zinc/53/64/11/794536411.db2.gz	UBOLRSASYVRREV-NUJGCVRESA-N	1	0	371.547	1.499	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)CNS(=O)(=O)CCCC)C[C@H]1C	ZINC001104957087	794564765	/nfs/dbraw/zinc/56/47/65/794564765.db2.gz	AYJGRLXQWABRRK-HZPDHXFCSA-N	1	0	359.536	1.356	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1	ZINC000974182082	794648696	/nfs/dbraw/zinc/64/86/96/794648696.db2.gz	RVYFXVWDPPAIQV-RZFLPCETSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1	ZINC000974182787	794665828	/nfs/dbraw/zinc/66/58/28/794665828.db2.gz	JEONOSDDPXPUHC-TWMKSMIVSA-N	1	0	361.486	1.359	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H](CN(C)c3ncccc3C#N)C2)CC[N@@H+]1C	ZINC001058708509	794766768	/nfs/dbraw/zinc/76/67/68/794766768.db2.gz	NTOPLXJMVBMZLL-JFIYKMOQSA-N	1	0	355.486	1.968	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)CCCNC(=O)c2ccco2)C[C@H]1C	ZINC001105001845	794829962	/nfs/dbraw/zinc/82/99/62/794829962.db2.gz	WISMRZVDBRGUTF-IAGOWNOFSA-N	1	0	359.470	1.887	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CS(=O)(=O)C(C)C)C[C@H]1C	ZINC001105025667	794967067	/nfs/dbraw/zinc/96/70/67/794967067.db2.gz	CXTCYHRFKLNSHX-TZMCWYRMSA-N	1	0	350.912	1.636	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCn2nc(C)nc2C)C1	ZINC001105089929	795232190	/nfs/dbraw/zinc/23/21/90/795232190.db2.gz	BHTQAFUIIGZWCV-CRAIPNDOSA-N	1	0	363.506	1.562	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)CC2CC2)C1	ZINC001105089895	795232355	/nfs/dbraw/zinc/23/23/55/795232355.db2.gz	AGVBDAYPPUZDPF-JFIYKMOQSA-N	1	0	365.518	1.520	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2C2CC2)C1	ZINC001105090053	795233027	/nfs/dbraw/zinc/23/30/27/795233027.db2.gz	GXXCDCQDXUXAFB-RBSFLKMASA-N	1	0	362.478	1.173	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnc(CC)n2C)C1	ZINC001105090202	795233723	/nfs/dbraw/zinc/23/37/23/795233723.db2.gz	MNXPDKZJHLOGSZ-OWCLPIDISA-N	1	0	363.506	1.543	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nn(CC)nc2C)C1	ZINC001105090550	795235611	/nfs/dbraw/zinc/23/56/11/795235611.db2.gz	ZNSYGYVOMKDAGD-NVXWUHKLSA-N	1	0	363.506	1.773	20	30		FDEDRO
CCc1ncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)s1	ZINC001105091293	795240446	/nfs/dbraw/zinc/24/04/46/795240446.db2.gz	YEKPZUHEYDCCEP-CHWSQXEVSA-N	1	0	363.487	1.033	20	30		FDEDRO
Cc1coc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(=O)NCC#N)C2)c1	ZINC001211653564	795326716	/nfs/dbraw/zinc/32/67/16/795326716.db2.gz	RPQCBGZDSUHUNT-DLBZAZTESA-N	1	0	366.421	1.426	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)CC[C@@]2(C)CCC(=O)N2)C[C@H]1C	ZINC001105119792	795344304	/nfs/dbraw/zinc/34/43/04/795344304.db2.gz	BKEJXJKKVPVRBF-MBOZVWFJSA-N	1	0	363.502	1.159	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(C(N)=O)ccn2)C[C@H]1C	ZINC001105124225	795357135	/nfs/dbraw/zinc/35/71/35/795357135.db2.gz	SIMHNRJGQOUCPF-BXUZGUMPSA-N	1	0	350.850	1.621	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCCOc2cccc(C(F)(F)F)n2)CC1	ZINC000759782500	795571343	/nfs/dbraw/zinc/57/13/43/795571343.db2.gz	OAALXNDXIMXDNI-UHFFFAOYSA-N	1	0	355.360	1.941	20	30		FDEDRO
COCC1(C#N)CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1	ZINC000500181256	795593110	/nfs/dbraw/zinc/59/31/10/795593110.db2.gz	JBYFBVNSXKWIBI-IRXDYDNUSA-N	1	0	364.490	1.326	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCCc3nc[nH]c32)C1	ZINC000974406092	795614533	/nfs/dbraw/zinc/61/45/33/795614533.db2.gz	COHYBWJTWHYECZ-AQRJEWBLSA-N	1	0	358.442	1.184	20	30		FDEDRO
C=CCn1c(-c2nnn(C)c2C)nnc1N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1	ZINC000651512031	795776807	/nfs/dbraw/zinc/77/68/07/795776807.db2.gz	UUGUEZJHYPGRTO-IJEWVQPXSA-N	1	0	370.505	1.735	20	30		FDEDRO
COCCN1C(=O)C[C@@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)[C@@H]1c1cnn(C)c1C	ZINC000278835178	795862757	/nfs/dbraw/zinc/86/27/57/795862757.db2.gz	ULXQJZLNFXNQBN-MIALQEHNSA-N	1	0	373.501	1.937	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)CCn4cncn4)[C@@H]3C2)c1	ZINC001075553509	795882390	/nfs/dbraw/zinc/88/23/90/795882390.db2.gz	NQSJVHZWKHEXEK-ZWKOTPCHSA-N	1	0	350.426	1.273	20	30		FDEDRO
C[C@H](C[NH3+])CNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000418470515	795964105	/nfs/dbraw/zinc/96/41/05/795964105.db2.gz	LJLIJDNNJPJPNI-CYBMUJFWSA-N	1	0	355.446	1.153	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])C[C@@]12c1ccccc1NC2=O	ZINC000418482616	795978550	/nfs/dbraw/zinc/97/85/50/795978550.db2.gz	YUMYFFSRWZYKIT-XXZHDZSNSA-N	1	0	353.426	1.169	20	30		FDEDRO
Cc1onc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1C#N	ZINC000500403780	796067116	/nfs/dbraw/zinc/06/71/16/796067116.db2.gz	BGKKLYXIQVCUAH-FUHWJXTLSA-N	1	0	368.437	1.396	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CC(CC)CC)nn2)C1	ZINC001105328354	796099463	/nfs/dbraw/zinc/09/94/63/796099463.db2.gz	ADMZIARBVXYTOD-MSOLQXFVSA-N	1	0	361.490	1.778	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1	ZINC000979854767	806561724	/nfs/dbraw/zinc/56/17/24/806561724.db2.gz	YREMSGUONYMLID-RXYDEIHYSA-N	1	0	363.502	1.320	20	30		FDEDRO
C#Cc1ccc(C(=O)NCCCN2CCN(C(=O)OC(C)(C)C)CC2)nc1	ZINC000728860127	806587220	/nfs/dbraw/zinc/58/72/20/806587220.db2.gz	MMGPSQSDGGXWCH-UHFFFAOYSA-N	1	0	372.469	1.736	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[N@@H+](CCc2ccnn2C)CC1(C)C	ZINC000974588416	799851756	/nfs/dbraw/zinc/85/17/56/799851756.db2.gz	PWSBISAJGHNADI-SQNIBIBYSA-N	1	0	360.502	1.770	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]32)cn1	ZINC000974671376	800040273	/nfs/dbraw/zinc/04/02/73/800040273.db2.gz	RSMPOUUIFSAVKW-BPQIPLTHSA-N	1	0	354.454	1.076	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]32)cn1	ZINC000974671378	800040562	/nfs/dbraw/zinc/04/05/62/800040562.db2.gz	RSMPOUUIFSAVKW-KBAYOESNSA-N	1	0	354.454	1.076	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)CCn4ccnc4)C[C@H]32)cc1	ZINC000974704175	800126761	/nfs/dbraw/zinc/12/67/61/800126761.db2.gz	DGWNXYBDRQTCCU-RTBURBONSA-N	1	0	362.433	1.628	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)C[N@@H+](C)C4CCC4)C[C@H]32)cc1	ZINC000974707311	800142908	/nfs/dbraw/zinc/14/29/08/800142908.db2.gz	QGHHCLLBGXEPFD-UYAOXDASSA-N	1	0	365.477	1.825	20	30		FDEDRO
C=CC[C@]1(C(=O)N[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CCC[NH2+]1	ZINC000662516852	806811968	/nfs/dbraw/zinc/81/19/68/806811968.db2.gz	HSZKXXBBRXWZTR-KBXCAEBGSA-N	1	0	365.499	1.812	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@H](F)C(C)C)[C@@H]3C2)CC1	ZINC000974822099	800359586	/nfs/dbraw/zinc/35/95/86/800359586.db2.gz	VTOJZTAWWWUIOH-KZNAEPCWSA-N	1	0	363.477	1.385	20	30		FDEDRO
C=CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C2CS(=O)(=O)C2)C1	ZINC001087428619	806829557	/nfs/dbraw/zinc/82/95/57/806829557.db2.gz	PKPQGAUEQBGHHD-QZTJIDSGSA-N	1	0	362.495	1.581	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CN(C(C)C)CCO3)[C@@H]2C1	ZINC000974866272	800434036	/nfs/dbraw/zinc/43/40/36/800434036.db2.gz	DLKCZVIIQSIAIB-ZACQAIPSSA-N	1	0	363.502	1.367	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1	ZINC001027890206	806832891	/nfs/dbraw/zinc/83/28/91/806832891.db2.gz	SGZIKRVMGDVWMI-QRVBRYPASA-N	1	0	371.481	1.847	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)C[C@H]21	ZINC000974970080	800619541	/nfs/dbraw/zinc/61/95/41/800619541.db2.gz	AWYXIZOYSVBJLP-ATZDWAIDSA-N	1	0	368.481	1.623	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CC1(C)C	ZINC000975039436	800753754	/nfs/dbraw/zinc/75/37/54/800753754.db2.gz	PNNWMUQSQSUMRE-RCCFBDPRSA-N	1	0	368.481	1.609	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[N@H+](Cc2cccc(C#N)c2)CC1(C)C	ZINC000975041602	800758734	/nfs/dbraw/zinc/75/87/34/800758734.db2.gz	XOXONUWFLRPJNJ-KSZLIROESA-N	1	0	368.481	1.609	20	30		FDEDRO
CC1(C)CN(CC#Cc2ccc(F)cc2)C[C@@H]1NC(=O)[C@H]1C[C@H]1C(N)=O	ZINC000975048508	800772890	/nfs/dbraw/zinc/77/28/90/800772890.db2.gz	QCIYPFZGYCOMJI-IKGGRYGDSA-N	1	0	357.429	1.125	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CN(CC#Cc2ccccc2)CC1(C)C	ZINC000975034688	800791589	/nfs/dbraw/zinc/79/15/89/800791589.db2.gz	BMGSVDUNCDCAKL-OTWHNJEPSA-N	1	0	367.493	1.589	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnc(OCC)s2)C1	ZINC001027076797	800892402	/nfs/dbraw/zinc/89/24/02/800892402.db2.gz	UYRDQMXARGCLRD-MCIONIFRSA-N	1	0	366.487	1.466	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000975318065	801131295	/nfs/dbraw/zinc/13/12/95/801131295.db2.gz	MQSVNQNAQZXLQP-FHLIZLRMSA-N	1	0	371.485	1.585	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(C(N)=O)[nH]1)C2	ZINC001112530770	806890436	/nfs/dbraw/zinc/89/04/36/806890436.db2.gz	MTKDGSDNKFGYCS-LIRRHRJNSA-N	1	0	360.458	1.148	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(CCC=C)CC1)C2	ZINC001112524395	801402718	/nfs/dbraw/zinc/40/27/18/801402718.db2.gz	LYJNPNYYZMEQFU-UWJYYQICSA-N	1	0	357.498	1.701	20	30		FDEDRO
C=CC[C@@]1(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)CCC[NH2+]1	ZINC000662670018	806942950	/nfs/dbraw/zinc/94/29/50/806942950.db2.gz	CCELWMHYZQAMND-FQEVSTJZSA-N	1	0	372.469	1.594	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCN(Cc3cn4ccccc4n3)CC2)CCC[NH2+]1	ZINC000662670934	806944245	/nfs/dbraw/zinc/94/42/45/806944245.db2.gz	OGNZOWITKDAUPU-HXUWFJFHSA-N	1	0	353.470	1.677	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)C4=CCCC4)[C@H]3C2)CC1	ZINC000975754074	802207115	/nfs/dbraw/zinc/20/71/15/802207115.db2.gz	CZPCULKVJULLJQ-PXNSSMCTSA-N	1	0	369.509	1.891	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)[C@@H](C)C4CC4)[C@H]3C2)CC1	ZINC000975754446	802208219	/nfs/dbraw/zinc/20/82/19/802208219.db2.gz	JOUIXCCDSAZTOT-QRFRQXIXSA-N	1	0	371.525	1.827	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@H]2C1	ZINC000975790139	802343497	/nfs/dbraw/zinc/34/34/97/802343497.db2.gz	SHNSTVFUKYPKHE-JQHSSLGASA-N	1	0	369.469	1.434	20	30		FDEDRO
CC[C@@H](C(=O)N1CC[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@H]2C1)[NH+](C)C	ZINC000975820929	802518786	/nfs/dbraw/zinc/51/87/86/802518786.db2.gz	STYRPLLGPVXDOX-XIRDDKMYSA-N	1	0	357.458	1.290	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1ccc(OCC(N)=O)cc1	ZINC000661115947	802730559	/nfs/dbraw/zinc/73/05/59/802730559.db2.gz	VTTNWDHSVKVCBC-SJLPKXTDSA-N	1	0	359.470	1.891	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@@H]21	ZINC000975930921	802744106	/nfs/dbraw/zinc/74/41/06/802744106.db2.gz	XVLLHISIEKTIIJ-YCPHGPKFSA-N	1	0	358.442	1.564	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3CCN(C(=O)[C@H]4CCC[N@H+]4C)[C@H]3C2)c1	ZINC000975995836	802822181	/nfs/dbraw/zinc/82/21/81/802822181.db2.gz	LOXBKVKGEDNVRU-UHOSZYNNSA-N	1	0	366.465	1.220	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)N2CC[C@H]3CCN(C(=O)C#CC4CC4)[C@H]3C2)C1	ZINC000976023832	802883521	/nfs/dbraw/zinc/88/35/21/802883521.db2.gz	JDMKPPZRBWEBEG-ROUUACIJSA-N	1	0	357.498	1.581	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2cc(C)n[nH]2)CC1	ZINC000976364131	803261592	/nfs/dbraw/zinc/26/15/92/803261592.db2.gz	OHCPFXPLQOSMKY-IAGOWNOFSA-N	1	0	371.485	1.221	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)CCC[NH2+]1	ZINC000662802165	803319474	/nfs/dbraw/zinc/31/94/74/803319474.db2.gz	ZFSVTVLIBIEXTH-WMZOPIPTSA-N	1	0	369.531	1.538	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC000976478970	803434749	/nfs/dbraw/zinc/43/47/49/803434749.db2.gz	CPYRTVVVELXJIR-FVQBIDKESA-N	1	0	357.458	1.528	20	30		FDEDRO
C=CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000661380980	803435387	/nfs/dbraw/zinc/43/53/87/803435387.db2.gz	SFPXHKWMSNQENL-KGLIPLIRSA-N	1	0	351.472	1.949	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC(C)(C)C1)C2	ZINC001112525488	803537830	/nfs/dbraw/zinc/53/78/30/803537830.db2.gz	VXRGJKSFJPJZPH-WWMYMODYSA-N	1	0	359.514	1.780	20	30		FDEDRO
C=CC[C@@]1(C(=O)Nc2cccc(CN3CCCS3(=O)=O)c2)CCC[NH2+]1	ZINC000662846818	803680178	/nfs/dbraw/zinc/68/01/78/803680178.db2.gz	RTQKQRGTYMCMFE-SFHVURJKSA-N	1	0	363.483	1.859	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1	ZINC000423086529	814958389	/nfs/dbraw/zinc/95/83/89/814958389.db2.gz	MADFKYKWAKXZCG-ZWKOTPCHSA-N	1	0	354.454	1.365	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1	ZINC000976703696	803783369	/nfs/dbraw/zinc/78/33/69/803783369.db2.gz	UNUHRROBFCYJIA-WOJBJXKFSA-N	1	0	367.493	1.850	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC#N)C1	ZINC001211669181	803972267	/nfs/dbraw/zinc/97/22/67/803972267.db2.gz	MFLWRNGAQBHVKO-UEXGIBASSA-N	1	0	368.481	1.813	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2	ZINC000423207926	814992292	/nfs/dbraw/zinc/99/22/92/814992292.db2.gz	DSLRCUHUCTWQTK-IYBDPMFKSA-N	1	0	372.425	1.462	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C	ZINC000423243503	815016244	/nfs/dbraw/zinc/01/62/44/815016244.db2.gz	GINMULKCCOABGS-GOSISDBHSA-N	1	0	374.485	1.365	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)C(F)F)C2	ZINC001112526392	804801501	/nfs/dbraw/zinc/80/15/01/804801501.db2.gz	FHKYPASKNQQSJH-UGSOOPFHSA-N	1	0	355.429	1.245	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CCN1C(=O)C12CC[NH+](CC1)C2	ZINC000977799516	804957198	/nfs/dbraw/zinc/95/71/98/804957198.db2.gz	VELAEFMJQUUFBJ-IKGGRYGDSA-N	1	0	361.486	1.123	20	30		FDEDRO
C#Cc1cncc(C(=O)N(C)C[C@H]2CCN2C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)c1	ZINC000978348040	805363572	/nfs/dbraw/zinc/36/35/72/805363572.db2.gz	NKPQEQSKEMBPFP-CEXWTWQISA-N	1	0	368.481	1.466	20	30		FDEDRO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCC(=O)NCC#N	ZINC000511922072	805402588	/nfs/dbraw/zinc/40/25/88/805402588.db2.gz	WYIUZBYSEJAPQC-HWWDLCQESA-N	1	0	357.458	1.082	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)C[NH+]1CCC(C)CC1	ZINC000978433211	805441574	/nfs/dbraw/zinc/44/15/74/805441574.db2.gz	MUOYILSVKKNUHL-KSZLIROESA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@H]1c1ccccc1	ZINC001211679974	805511450	/nfs/dbraw/zinc/51/14/50/805511450.db2.gz	ABQUEJFFTSEJMJ-HYVNUMGLSA-N	1	0	365.499	1.084	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000893608593	807039000	/nfs/dbraw/zinc/03/90/00/807039000.db2.gz	XCAYNRKLDRIIRU-LJQANCHMSA-N	1	0	358.486	1.526	20	30		FDEDRO
C=CCOCCCNC(=O)NC[C@H](c1cccs1)N1CCN(C)CC1	ZINC000663449503	807057711	/nfs/dbraw/zinc/05/77/11/807057711.db2.gz	CZNFBEKELUWAJD-MRXNPFEDSA-N	1	0	366.531	1.929	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1	ZINC000980579463	807078228	/nfs/dbraw/zinc/07/82/28/807078228.db2.gz	PSCKNZLKVMOBCB-PANQXIRQSA-N	1	0	361.486	1.074	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1	ZINC001087431230	807187849	/nfs/dbraw/zinc/18/78/49/807187849.db2.gz	FNYSCJVNKDTNOO-GUDVDZBRSA-N	1	0	353.466	1.510	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1	ZINC000423523741	815112720	/nfs/dbraw/zinc/11/27/20/815112720.db2.gz	IMIWTYNVMNDDFY-YRXWBPOGSA-N	1	0	366.465	1.495	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@@H]3CCC[N@H+]3C)C2)cc1	ZINC000981054073	807470231	/nfs/dbraw/zinc/47/02/31/807470231.db2.gz	ZYLXOIFMFQLIGG-UHOSZYNNSA-N	1	0	353.466	1.777	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)NC[C@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)c1	ZINC000981108258	807565070	/nfs/dbraw/zinc/56/50/70/807565070.db2.gz	QDDMDVAFLMRZLQ-GOEBONIOSA-N	1	0	369.469	1.529	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1	ZINC000981111054	807567500	/nfs/dbraw/zinc/56/75/00/807567500.db2.gz	CASNYKCURKIPNA-LESCRADOSA-N	1	0	371.485	1.775	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1	ZINC000981111493	807569598	/nfs/dbraw/zinc/56/95/98/807569598.db2.gz	PJRMDAIZIFIQBZ-OFQRWUPVSA-N	1	0	357.458	1.243	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)cc1	ZINC001028047777	807721465	/nfs/dbraw/zinc/72/14/65/807721465.db2.gz	IGRHEOQFKWQFOO-LWYYNNOASA-N	1	0	369.465	1.690	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2nnc3ccccc3n2)C[C@H]1C(F)(F)F	ZINC001112132415	815155707	/nfs/dbraw/zinc/15/57/07/815155707.db2.gz	KEONLRVMPPJSMS-BXUZGUMPSA-N	1	0	363.343	1.641	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1	ZINC000278973716	807961966	/nfs/dbraw/zinc/96/19/66/807961966.db2.gz	CUWMEFNMIZJGMH-IYBDPMFKSA-N	1	0	352.442	1.170	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1	ZINC000981448219	808052413	/nfs/dbraw/zinc/05/24/13/808052413.db2.gz	RDJUAAMIJKJUIM-ZMMAXQRCSA-N	1	0	363.502	1.465	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1	ZINC000981549102	808132869	/nfs/dbraw/zinc/13/28/69/808132869.db2.gz	JEBUFLANLMRDOG-YXJHDRRASA-N	1	0	371.485	1.775	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc3c(c2)nnn3C)C[C@H]1C(F)(F)F	ZINC001112132597	815178121	/nfs/dbraw/zinc/17/81/21/815178121.db2.gz	MYHPNQDVPKFJOX-DGCLKSJQSA-N	1	0	368.363	1.532	20	30		FDEDRO
C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1	ZINC000981667652	808313357	/nfs/dbraw/zinc/31/33/57/808313357.db2.gz	VIWYYZPQJUMSQA-MOPGFXCFSA-N	1	0	365.518	1.367	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3[nH]cnc3C)C2)CC1	ZINC000981715808	808375363	/nfs/dbraw/zinc/37/53/63/808375363.db2.gz	FXXMHNHAEVTKQV-DOTOQJQBSA-N	1	0	371.485	1.078	20	30		FDEDRO
N#Cc1cccc(-c2cc(C(=O)NCCC[N@H+]3CCC[C@@H]3C(N)=O)on2)c1	ZINC000279107870	808380429	/nfs/dbraw/zinc/38/04/29/808380429.db2.gz	UPEXEDBRYPUCAX-MRXNPFEDSA-N	1	0	367.409	1.283	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1)C(C)C	ZINC000663669600	808421820	/nfs/dbraw/zinc/42/18/20/808421820.db2.gz	ZILCCRXILWORKB-KZNAEPCWSA-N	1	0	362.518	1.995	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCCn2cncn2)C[C@H]1c1ccccc1	ZINC001211702943	808877074	/nfs/dbraw/zinc/87/70/74/808877074.db2.gz	MHAMALVJDIBIHF-RBUKOAKNSA-N	1	0	351.454	1.666	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCc1ccnn1C	ZINC001028190388	808943642	/nfs/dbraw/zinc/94/36/42/808943642.db2.gz	SPGGGCMSBJUKTK-QYZOEREBSA-N	1	0	360.502	1.915	20	30		FDEDRO
C[C@H](NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)C1=CC[N@H+](C)CC1	ZINC000279384744	808958020	/nfs/dbraw/zinc/95/80/20/808958020.db2.gz	JQCAZPYMTWFFDO-ZDUSSCGKSA-N	1	0	357.458	1.820	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](Cc1ccn(C)c(=O)c1)C2	ZINC000982023317	809042934	/nfs/dbraw/zinc/04/29/34/809042934.db2.gz	BIUYFSIGINJDRE-MSOLQXFVSA-N	1	0	371.481	1.401	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000418615038	809079498	/nfs/dbraw/zinc/07/94/98/809079498.db2.gz	LIERUYLSVCBIKW-OAHLLOKOSA-N	1	0	369.391	1.536	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)CC2)nc1	ZINC000418667154	809113475	/nfs/dbraw/zinc/11/34/75/809113475.db2.gz	MCEFISLMWSEDPS-WKILWMFISA-N	1	0	356.474	1.550	20	30		FDEDRO
C[C@@H](NC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)[C@H](C)[NH3+]	ZINC000418692004	809135914	/nfs/dbraw/zinc/13/59/14/809135914.db2.gz	FGSHPRHCXATUMC-NWDGAFQWSA-N	1	0	373.436	1.433	20	30		FDEDRO
N#CCc1ccc(NC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1	ZINC000414765168	815265530	/nfs/dbraw/zinc/26/55/30/815265530.db2.gz	ZIMVDZYUMDPHAX-INIZCTEOSA-N	1	0	355.442	1.428	20	30		FDEDRO
C[NH+]=C(NCCNC(=O)c1ccccc1)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000261654161	809199757	/nfs/dbraw/zinc/19/97/57/809199757.db2.gz	BFUFIPJALXSNQX-UHFFFAOYSA-N	1	0	373.501	1.323	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(CC)CCO2)C[C@H]1c1ccccc1	ZINC001211726055	809394075	/nfs/dbraw/zinc/39/40/75/809394075.db2.gz	HVPVHLAKZMQJOV-ZCNNSNEGSA-N	1	0	355.482	1.315	20	30		FDEDRO
[NH3+]C1(CNC(=O)C(=O)NCC#Cc2ccccc2)C2CC3CC(C2)CC1C3	ZINC000419123252	809577212	/nfs/dbraw/zinc/57/72/12/809577212.db2.gz	YARDIBPZEYCQQM-UHFFFAOYSA-N	1	0	365.477	1.424	20	30		FDEDRO
COc1cc(OC)cc(N2CCCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)c1	ZINC000424138612	815315760	/nfs/dbraw/zinc/31/57/60/815315760.db2.gz	CRZRCQXEWRREEP-SFHVURJKSA-N	1	0	360.458	1.764	20	30		FDEDRO
COc1cc(OC)cc(N2CCCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)c1	ZINC000424138608	815315876	/nfs/dbraw/zinc/31/58/76/815315876.db2.gz	CRZRCQXEWRREEP-GOSISDBHSA-N	1	0	360.458	1.764	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2COCCN2C(C)=O)C1	ZINC001087443301	809796308	/nfs/dbraw/zinc/79/63/08/809796308.db2.gz	FCHWBQSQLKRGMP-AQNXPRMDSA-N	1	0	371.481	1.394	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CN(CC)CCO2)C1	ZINC001087444061	809808001	/nfs/dbraw/zinc/80/80/01/809808001.db2.gz	VPRNEIQVVPNHMG-NJYVYQBISA-N	1	0	369.509	1.705	20	30		FDEDRO
COc1cc2c(c(OC)c1OC)CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2	ZINC000424172654	815322642	/nfs/dbraw/zinc/32/26/42/815322642.db2.gz	NPSWLHDMTNYPLD-OAHLLOKOSA-N	1	0	361.442	1.661	20	30		FDEDRO
COc1cc(OC)cc(N2CC[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C2)c1	ZINC000424159252	815320603	/nfs/dbraw/zinc/32/06/03/815320603.db2.gz	VGONRXZVHSLICR-KDOFPFPSSA-N	1	0	360.458	1.667	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H](CC)C(N)=O)C1	ZINC001211736485	809921880	/nfs/dbraw/zinc/92/18/80/809921880.db2.gz	UCVITBPGNPYGHZ-OKZBNKHCSA-N	1	0	359.470	1.427	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)NC(=O)C2CCC2)C[C@H]1c1ccccc1	ZINC001211738871	809934197	/nfs/dbraw/zinc/93/41/97/809934197.db2.gz	WPXHSHUBLWVDAC-LSTHTHJFSA-N	1	0	367.493	1.899	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccnn2CCOC)C[C@H]1C(F)(F)F	ZINC001112119374	809977968	/nfs/dbraw/zinc/97/79/68/809977968.db2.gz	SFEGWTYSUAKAQP-CHWSQXEVSA-N	1	0	358.364	1.145	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2OCCO[C@H]2C)C1	ZINC001087455691	810064997	/nfs/dbraw/zinc/06/49/97/810064997.db2.gz	IHKKDRORGYBYON-OBZTUIKSSA-N	1	0	374.456	1.927	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2[nH]cnc2C)C[C@H]1c1ccccc1	ZINC001211754429	810076861	/nfs/dbraw/zinc/07/68/61/810076861.db2.gz	BMMZPYFXDGXGSC-DLBZAZTESA-N	1	0	367.453	1.218	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@H]1C(F)(F)F	ZINC001112122229	810092179	/nfs/dbraw/zinc/09/21/79/810092179.db2.gz	BTEOCTJUYLZJNO-VXGBXAGGSA-N	1	0	356.410	1.366	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1	ZINC001087457665	810204899	/nfs/dbraw/zinc/20/48/99/810204899.db2.gz	MWYRNFVCJZDVBV-SJLPKXTDSA-N	1	0	368.412	1.520	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001087458145	810249748	/nfs/dbraw/zinc/24/97/48/810249748.db2.gz	LNVUDOVATUUWMD-ZJPYXAASSA-N	1	0	359.445	1.797	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2c(C)onc2CC)C[C@H]1OC	ZINC001212178324	810276487	/nfs/dbraw/zinc/27/64/87/810276487.db2.gz	RNPGVBPFBQOHKS-JFIYKMOQSA-N	1	0	351.447	1.188	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1)c1ccc(C#N)cc1	ZINC000419284432	810313365	/nfs/dbraw/zinc/31/33/65/810313365.db2.gz	MKPQRLAUHKQONR-AWEZNQCLSA-N	1	0	354.454	1.726	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCn2cc(Cl)cn2)C1	ZINC001028548523	810615657	/nfs/dbraw/zinc/61/56/57/810615657.db2.gz	BPVGUZPISGUFOJ-UAGQMJEPSA-N	1	0	366.893	1.956	20	30		FDEDRO
C=CCC1(NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CCCC1	ZINC000664143437	810687492	/nfs/dbraw/zinc/68/74/92/810687492.db2.gz	REDJORYPRRTRSV-KRWDZBQOSA-N	1	0	350.507	1.581	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1	ZINC000982779853	810850492	/nfs/dbraw/zinc/85/04/92/810850492.db2.gz	WKBQAYNGBDPSNM-AOIWGVFYSA-N	1	0	363.502	1.418	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1	ZINC000729352589	811173941	/nfs/dbraw/zinc/17/39/41/811173941.db2.gz	SCOIQTRCGZQMFZ-UHFFFAOYSA-N	1	0	353.466	1.884	20	30		FDEDRO
CON=Cc1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1	ZINC000729363895	811189280	/nfs/dbraw/zinc/18/92/80/811189280.db2.gz	QLYVTBAAQLEKSM-QGZVFWFLSA-N	1	0	360.458	1.339	20	30		FDEDRO
C=CCCn1cc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)nn1	ZINC000424756210	815430639	/nfs/dbraw/zinc/43/06/39/815430639.db2.gz	GAIRKFPBOAXCIL-GOSISDBHSA-N	1	0	369.469	1.741	20	30		FDEDRO
[NH2+]=C(NCc1ccnc(OC(F)F)c1)N1CCN(c2ncccn2)CC1	ZINC000261752814	811311211	/nfs/dbraw/zinc/31/12/11/811311211.db2.gz	KALDFQQFTFRPGG-UHFFFAOYSA-N	1	0	363.372	1.110	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCOc2ccccc21)N1CCO[C@@H](c2cnn(C)c2)C1	ZINC000261783813	811319763	/nfs/dbraw/zinc/31/97/63/811319763.db2.gz	POWIEUMABMTSRA-DNVCBOLYSA-N	1	0	369.469	1.935	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000982820349	811326379	/nfs/dbraw/zinc/32/63/79/811326379.db2.gz	MJGCZULJAUEFFL-BRWVUGGUSA-N	1	0	358.486	1.593	20	30		FDEDRO
C[NH+]=C(N[C@@H]1C[C@@H]1Cc1ccccc1)N1CCN(C(C)(C)C(N)=O)CC1	ZINC000261861462	811333709	/nfs/dbraw/zinc/33/37/09/811333709.db2.gz	YLSISQBCMPJKMN-DLBZAZTESA-N	1	0	357.502	1.075	20	30		FDEDRO
CC[NH+]=C(NCc1cc2c(cc1OC)C[C@H](C)O2)N[C@@H]1CCC(=O)N(C)C1	ZINC000261916313	811343532	/nfs/dbraw/zinc/34/35/32/811343532.db2.gz	YXBABCXTWWRYLR-XJKSGUPXSA-N	1	0	374.485	1.695	20	30		FDEDRO
C[NH+]=C(NCC(=O)Nc1ccccc1)N1CC[C@H](Oc2ccccn2)C1	ZINC000261985926	811361409	/nfs/dbraw/zinc/36/14/09/811361409.db2.gz	QEKNBRPRTGLFAB-INIZCTEOSA-N	1	0	353.426	1.749	20	30		FDEDRO
Cc1nnc(CNC(=[NH+]C2CCCC2)N2CC[C@@H](c3cnn(C)c3)C2)n1C	ZINC000261993579	811362667	/nfs/dbraw/zinc/36/26/67/811362667.db2.gz	RVPMDCFWGXNZAZ-OAHLLOKOSA-N	1	0	370.505	1.735	20	30		FDEDRO
C[NH+]=C(NCc1cn2ccc(C)cc2n1)N1CCN(c2ccccn2)CC1	ZINC000262511928	811481633	/nfs/dbraw/zinc/48/16/33/811481633.db2.gz	BPHMGNNDKIRZRD-UHFFFAOYSA-N	1	0	363.469	1.935	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1	ZINC000513575520	811628158	/nfs/dbraw/zinc/62/81/58/811628158.db2.gz	XSFUODCDRXWLCM-AWEZNQCLSA-N	1	0	373.457	1.343	20	30		FDEDRO
C=CCCCNC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1	ZINC000280477406	811835589	/nfs/dbraw/zinc/83/55/89/811835589.db2.gz	NTCDBDKJCRTQTM-UHFFFAOYSA-N	1	0	374.485	1.334	20	30		FDEDRO
C[C@@](C#N)(NC(=O)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1	ZINC000280542492	811854721	/nfs/dbraw/zinc/85/47/21/811854721.db2.gz	TVMKSRGNFUSHRI-UEXGIBASSA-N	1	0	352.482	1.859	20	30		FDEDRO
C[C@@H](CC[NH3+])NC(=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1	ZINC000419630535	812052234	/nfs/dbraw/zinc/05/22/34/812052234.db2.gz	DCFNXMUKECBEFX-AWEZNQCLSA-N	1	0	350.422	1.695	20	30		FDEDRO
O=C(NCC#Cc1cccc(F)c1)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1	ZINC000419683170	812090377	/nfs/dbraw/zinc/09/03/77/812090377.db2.gz	WTJLPJQKFRGFDL-PKOBYXMFSA-N	1	0	371.456	1.674	20	30		FDEDRO
C=CC(C)(C)CNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(OC)c1	ZINC000419725152	812138148	/nfs/dbraw/zinc/13/81/48/812138148.db2.gz	GBSJAEORKMDWSR-UHFFFAOYSA-N	1	0	363.458	1.903	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)NC1CCC([NH3+])CC1	ZINC000419868786	812265402	/nfs/dbraw/zinc/26/54/02/812265402.db2.gz	JAYSHWSDYNREJL-OPQOLIRYSA-N	1	0	354.454	1.671	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+]	ZINC000420026222	813399783	/nfs/dbraw/zinc/39/97/83/813399783.db2.gz	ZXEIZCJLUGFKAT-DOTOQJQBSA-N	1	0	374.441	1.743	20	30		FDEDRO
CCC([NH3+])(CC)CNC(=O)C(=O)N(CCOC)Cc1ccc(C#N)cc1	ZINC000420083937	813444100	/nfs/dbraw/zinc/44/41/00/813444100.db2.gz	VAACRXUBQWVSED-UHFFFAOYSA-N	1	0	360.458	1.167	20	30		FDEDRO
N#Cc1cccc(OC2CCN(C(=O)C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)CC2)c1	ZINC000420185873	813519153	/nfs/dbraw/zinc/51/91/53/813519153.db2.gz	BZOGLHRBUHZOHK-CVEARBPZSA-N	1	0	370.453	1.172	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCc2ccco2)C1	ZINC001104163500	813607224	/nfs/dbraw/zinc/60/72/24/813607224.db2.gz	JPOBWVCGQKUSSZ-IAGOWNOFSA-N	1	0	359.470	1.629	20	30		FDEDRO
C[NH+]=C(NCc1cn2ccccc2n1)N[C@H](C)Cc1c(C)nn(C)c1C	ZINC000261824721	813679773	/nfs/dbraw/zinc/67/97/73/813679773.db2.gz	UYFPLEGMBBWPBY-CYBMUJFWSA-N	1	0	353.474	1.981	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCC3(CC(N)=O)CC3)CC2)cc1	ZINC000420872188	813840859	/nfs/dbraw/zinc/84/08/59/813840859.db2.gz	GPCDELXTKWZPQE-UHFFFAOYSA-N	1	0	369.469	1.431	20	30		FDEDRO
C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	ZINC000502907962	814318069	/nfs/dbraw/zinc/31/80/69/814318069.db2.gz	WOZZCOWMYTUUCL-IBGZPJMESA-N	1	0	354.410	1.788	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)c2cccnc2)CC1	ZINC000422302285	814807048	/nfs/dbraw/zinc/80/70/48/814807048.db2.gz	XTLPTEYDXHOCEX-UHFFFAOYSA-N	1	0	358.486	1.632	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(=[NH+]C)N2CCN(C[C@H]3CCOC3)CC2)C12CCC2	ZINC000261869814	814815301	/nfs/dbraw/zinc/81/53/01/814815301.db2.gz	ZNFGLBHERAFZIR-FGTMMUONSA-N	1	0	364.534	1.564	20	30		FDEDRO
Cc1nn(CCC[NH+]2CCN(c3ccccc3)CC2)c(=O)c(C#N)c1C	ZINC000505481726	815693029	/nfs/dbraw/zinc/69/30/29/815693029.db2.gz	UAEXVJBMZQARIU-UHFFFAOYSA-N	1	0	351.454	1.944	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[NH+]2CCC([C@@H](O)C(=O)NC3CC3)CC2)cc1	ZINC000434716802	815698349	/nfs/dbraw/zinc/69/83/49/815698349.db2.gz	FOBRXMPKRNGTGY-LJQANCHMSA-N	1	0	370.453	1.238	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)c1	ZINC001028804829	815739679	/nfs/dbraw/zinc/73/96/79/815739679.db2.gz	BFRYYRXMLUYIBQ-KURKYZTESA-N	1	0	354.454	1.398	20	30		FDEDRO
CC(C)[N@H+](C)CCNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O	ZINC000505513701	815768280	/nfs/dbraw/zinc/76/82/80/815768280.db2.gz	GNSALSPXYHJEIQ-MRXNPFEDSA-N	1	0	371.441	1.220	20	30		FDEDRO
C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)C1	ZINC001028807991	815771436	/nfs/dbraw/zinc/77/14/36/815771436.db2.gz	YLVVHGBVZRQYGB-AYBZRNKSSA-N	1	0	357.454	1.952	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(F)cn4)[C@@H]3C2)C1=O	ZINC001075716666	816009914	/nfs/dbraw/zinc/00/99/14/816009914.db2.gz	PDSRDOVLQKTUDR-RRQGHBQHSA-N	1	0	358.417	1.154	20	30		FDEDRO
CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)[C@H](C)c2cccc(C#N)c2)C1	ZINC000425390249	816079726	/nfs/dbraw/zinc/07/97/26/816079726.db2.gz	VWQMBQQCVQRLHH-WBVHZDCISA-N	1	0	356.470	1.878	20	30		FDEDRO
COCC(C)(C)[NH+]1CCN(C(=O)NCCOc2ccc(C#N)cc2)CC1	ZINC000425442969	816293680	/nfs/dbraw/zinc/29/36/80/816293680.db2.gz	ISXYBVCCFXSELD-UHFFFAOYSA-N	1	0	360.458	1.689	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCN(Cc2nc(N(C)C)no2)C1	ZINC001028862415	816299072	/nfs/dbraw/zinc/29/90/72/816299072.db2.gz	RBZHYNCIVVWMBW-YCPHGPKFSA-N	1	0	363.462	1.055	20	30		FDEDRO
CC(C)[C@H](C)CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000505819872	816519753	/nfs/dbraw/zinc/51/97/53/816519753.db2.gz	PKMRYSQGKKOFDR-MRXNPFEDSA-N	1	0	358.486	1.857	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1	ZINC000425562442	816547602	/nfs/dbraw/zinc/54/76/02/816547602.db2.gz	GESVGJGXAJZCHP-HKUYNNGSSA-N	1	0	364.534	1.778	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCOc3ccc(F)cc3C2)CC1	ZINC000516202412	816691587	/nfs/dbraw/zinc/69/15/87/816691587.db2.gz	WRKSLTVUGWIEGL-UHFFFAOYSA-N	1	0	361.417	1.313	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)CCn4ccnn4)[C@@H]3C2)cc1	ZINC001075732422	816824882	/nfs/dbraw/zinc/82/48/82/816824882.db2.gz	PWHLDCIFMJUHKS-ZWKOTPCHSA-N	1	0	350.426	1.273	20	30		FDEDRO
Cn1nccc1CC(=O)N1CC[C@H]2CN(Cc3ccc(C#N)c(F)c3)C[C@H]21	ZINC001075737275	817002318	/nfs/dbraw/zinc/00/23/18/817002318.db2.gz	ANPHSAWQPDQHGN-QFBILLFUSA-N	1	0	367.428	1.706	20	30		FDEDRO
CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N[C@@H]3CC[C@H](C#N)C3)c2)CC1	ZINC000425808538	817107484	/nfs/dbraw/zinc/10/74/84/817107484.db2.gz	FCCKBDHVAZNRMS-DOTOQJQBSA-N	1	0	369.469	1.575	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1	ZINC000366675406	817173192	/nfs/dbraw/zinc/17/31/92/817173192.db2.gz	BYAQXPTXJFFLLS-MANSERQUSA-N	1	0	364.534	1.635	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(C(=O)Nc3cccc(C#N)n3)CC2)CC1	ZINC000517029016	817176598	/nfs/dbraw/zinc/17/65/98/817176598.db2.gz	VKJATNQTRVIOMJ-UHFFFAOYSA-N	1	0	356.474	1.976	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Cc2nn(C)c(=O)c3ccccc23)CC1	ZINC000517304599	817387095	/nfs/dbraw/zinc/38/70/95/817387095.db2.gz	NTMCETQWFMWFFG-UHFFFAOYSA-N	1	0	354.454	1.633	20	30		FDEDRO
C=CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000517865254	817616536	/nfs/dbraw/zinc/61/65/36/817616536.db2.gz	NXHNBXCUCKFGQQ-MRXNPFEDSA-N	1	0	374.489	1.060	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)N1CCc2cc(F)c(F)cc21	ZINC000438746238	817691498	/nfs/dbraw/zinc/69/14/98/817691498.db2.gz	TZSJZMAFAKKDJP-UHFFFAOYSA-N	1	0	364.396	1.548	20	30		FDEDRO
N#CCC[C@H](NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1	ZINC000438857935	817760274	/nfs/dbraw/zinc/76/02/74/817760274.db2.gz	OCXKJWJVLLRJRB-MSOLQXFVSA-N	1	0	371.485	1.918	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)C1	ZINC001087473812	818240133	/nfs/dbraw/zinc/24/01/33/818240133.db2.gz	XLUOMBHTNDUKMJ-NEWSRXKRSA-N	1	0	371.481	1.682	20	30		FDEDRO
C#CCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C[C@@H]2COC(=O)C2)C1	ZINC001087474173	818246540	/nfs/dbraw/zinc/24/65/40/818246540.db2.gz	PHQQQUVEHVNHPA-SNRMKQJTSA-N	1	0	370.449	1.556	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CCNC2=O)C1	ZINC001087475180	818299826	/nfs/dbraw/zinc/29/98/26/818299826.db2.gz	UVCDRAWRMUMRSW-OTWHNJEPSA-N	1	0	371.481	1.682	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CCC[N@@H+]2C)cn1	ZINC000983674337	818516753	/nfs/dbraw/zinc/51/67/53/818516753.db2.gz	DRJOSOCXVZAPSD-MNEFBYGVSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]Cc2cnn(C)n2)CC1	ZINC001029101888	818594190	/nfs/dbraw/zinc/59/41/90/818594190.db2.gz	QGPMKFNBXQZFQJ-OLMNPRSZSA-N	1	0	361.490	1.513	20	30		FDEDRO
COc1cc(CNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1C#N	ZINC000519797186	819057146	/nfs/dbraw/zinc/05/71/46/819057146.db2.gz	QLTAEDPTAIQUQI-INIZCTEOSA-N	1	0	372.469	1.867	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(=O)[nH]n2)CCN1CC#Cc1ccc(F)cc1	ZINC001087491499	819120787	/nfs/dbraw/zinc/12/07/87/819120787.db2.gz	BBJJEQIDJMDTBO-FUHWJXTLSA-N	1	0	368.412	1.956	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC[N@@H+]1C	ZINC000473890512	819145770	/nfs/dbraw/zinc/14/57/70/819145770.db2.gz	GOWIHHPONKAJKW-OLMNPRSZSA-N	1	0	354.454	1.648	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C2=COCCO2)CC[N@@H+]1Cc1cc(C#N)ccc1OC	ZINC001087493026	819209313	/nfs/dbraw/zinc/20/93/13/819209313.db2.gz	CXDZRCPISYMMHL-DLBZAZTESA-N	1	0	371.437	1.924	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1	ZINC001112151919	819223665	/nfs/dbraw/zinc/22/36/65/819223665.db2.gz	BGQDPSPXPXWFEQ-BFHYXJOUSA-N	1	0	352.397	1.577	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc[n+]([O-])cc2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087493908	819254323	/nfs/dbraw/zinc/25/43/23/819254323.db2.gz	RUOMWINOVHTAFI-RBUKOAKNSA-N	1	0	350.422	1.975	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@H]1CCCN(C2CCCCC2)C1=O	ZINC000328618137	819518767	/nfs/dbraw/zinc/51/87/67/819518767.db2.gz	UVFQIDUCCDPKTM-SJORKVTESA-N	1	0	365.522	1.060	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000328598443	819529318	/nfs/dbraw/zinc/52/93/18/819529318.db2.gz	BDWGIAZNLABWFP-ZACQAIPSSA-N	1	0	364.490	1.120	20	30		FDEDRO
Cc1cc([C@@H]2CCCN(C(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)C2)[nH]n1	ZINC000328734938	819550436	/nfs/dbraw/zinc/55/04/36/819550436.db2.gz	KLBIHMJZOHHTNY-NVXWUHKLSA-N	1	0	362.522	1.695	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)NCc3ncnn3C(C)(C)C)C2)CC1	ZINC000328822549	819553915	/nfs/dbraw/zinc/55/39/15/819553915.db2.gz	RMVDITJWEHJDIA-HNNXBMFYSA-N	1	0	363.510	1.159	20	30		FDEDRO
Cn1ccnc1[C@H]1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1	ZINC000328795271	819557861	/nfs/dbraw/zinc/55/78/61/819557861.db2.gz	TXWSEBVSQIFXKL-INIZCTEOSA-N	1	0	361.490	1.768	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCN(C(=O)Cc3ccccc3)C2)C1	ZINC000328852945	819566747	/nfs/dbraw/zinc/56/67/47/819566747.db2.gz	BVVZLOJMYYMNJY-ZWKOTPCHSA-N	1	0	358.486	1.818	20	30		FDEDRO
Cc1cc(CNC(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n(C)n1	ZINC000328859835	819569024	/nfs/dbraw/zinc/56/90/24/819569024.db2.gz	DWVKRUMFTBHCPL-UHFFFAOYSA-N	1	0	362.522	1.633	20	30		FDEDRO
C[C@@H]1CN(CC(=O)Nc2ccc3c(c2)OCO3)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000328949272	819586509	/nfs/dbraw/zinc/58/65/09/819586509.db2.gz	NAIJIGAWTRHPSC-NVXWUHKLSA-N	1	0	374.485	1.961	20	30		FDEDRO
CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@@H]2CCn3ncc(C(N)=O)c3C2)C[C@@H]1C	ZINC000328954192	819587771	/nfs/dbraw/zinc/58/77/71/819587771.db2.gz	YGNUHRFXPZVBCX-MELADBBJSA-N	1	0	362.478	1.657	20	30		FDEDRO
CN1CCC(CNC(=O)c2ccc3n[nH]c(=O)n3c2)([NH+]2CCCCC2)CC1	ZINC000328932743	819596176	/nfs/dbraw/zinc/59/61/76/819596176.db2.gz	PHDSKCQNVGLMMQ-UHFFFAOYSA-N	1	0	372.473	1.690	20	30		FDEDRO
CC(=O)N1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC12CCCCC2	ZINC000328930807	819596469	/nfs/dbraw/zinc/59/64/69/819596469.db2.gz	AWVXKPKYNCVUPP-KRWDZBQOSA-N	1	0	365.522	1.013	20	30		FDEDRO
CC(C)(C)C(=O)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000330644344	819628248	/nfs/dbraw/zinc/62/82/48/819628248.db2.gz	KLWRJANGEBFZRS-CQSZACIVSA-N	1	0	367.494	1.480	20	30		FDEDRO
CCN(C)C(=O)[C@H](C)NC(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1	ZINC000330994498	819660494	/nfs/dbraw/zinc/66/04/94/819660494.db2.gz	BYNCJNDEZCXLMN-XIRDDKMYSA-N	1	0	361.490	1.787	20	30		FDEDRO
CC[C@H]1CN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CCO1	ZINC000331161289	819668732	/nfs/dbraw/zinc/66/87/32/819668732.db2.gz	GEZIBDBODLZKTJ-INIZCTEOSA-N	1	0	368.522	1.638	20	30		FDEDRO
CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1	ZINC000331311266	819675839	/nfs/dbraw/zinc/67/58/39/819675839.db2.gz	ZKAVTJUPPLHCLN-CABCVRRESA-N	1	0	370.538	1.617	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)c2ccc[nH]2)CC1	ZINC000983851005	819785427	/nfs/dbraw/zinc/78/54/27/819785427.db2.gz	JLQGZCFPVXFOQI-AEFFLSMTSA-N	1	0	370.497	1.717	20	30		FDEDRO
C=CCN(C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[C@@H](C)COC	ZINC000665128498	820212839	/nfs/dbraw/zinc/21/28/39/820212839.db2.gz	HTALOKXIKHSZFR-KRWDZBQOSA-N	1	0	368.522	1.016	20	30		FDEDRO
CC#CC[C@H](CO)[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000895094659	820264042	/nfs/dbraw/zinc/26/40/42/820264042.db2.gz	COSPSHIZONUWCK-MRXNPFEDSA-N	1	0	366.483	1.212	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnn(CC)c3)[C@H]2CC)C1=O	ZINC001087524985	820474099	/nfs/dbraw/zinc/47/40/99/820474099.db2.gz	YSTCSYOHOFMEAA-GVDBMIGSSA-N	1	0	359.474	1.273	20	30		FDEDRO
CCc1nocc1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC#CCOC)C1	ZINC001112161069	820593844	/nfs/dbraw/zinc/59/38/44/820593844.db2.gz	ITVQOFPNUMOZDS-TZMCWYRMSA-N	1	0	359.348	1.479	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNC(=O)NCCOc2ccc(C#N)cc2)CC1	ZINC000474027567	820995909	/nfs/dbraw/zinc/99/59/09/820995909.db2.gz	DJEHXTBLDYQAIP-UHFFFAOYSA-N	1	0	360.458	1.472	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc(C)ncn3)[C@H]2CC)C1=O	ZINC001087545144	821237446	/nfs/dbraw/zinc/23/74/46/821237446.db2.gz	UHYCVIVNMQPGPT-USXIJHARSA-N	1	0	357.458	1.155	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]CCc2ccc3c(c2)OCCO3)c1	ZINC000521466434	821261295	/nfs/dbraw/zinc/26/12/95/821261295.db2.gz	MIXCCDXGHOOJLW-UHFFFAOYSA-N	1	0	372.446	1.935	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C[C@H]1CCNC(=O)CC1	ZINC001087548919	821303242	/nfs/dbraw/zinc/30/32/42/821303242.db2.gz	VOGHILCQWQOPAA-XOKHGSTOSA-N	1	0	357.458	1.385	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)Cc2nnc(C)[nH]2)CCN1Cc1ccc(F)c(C#N)c1	ZINC001087568091	821544197	/nfs/dbraw/zinc/54/41/97/821544197.db2.gz	XXQQBJCISILJTN-DLBZAZTESA-N	1	0	370.432	1.836	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087592471	821636592	/nfs/dbraw/zinc/63/65/92/821636592.db2.gz	NUWCNNHKLWLWBL-GBESFXJTSA-N	1	0	353.466	1.486	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3cnc(C)o3)[C@H]2CC)C1=O	ZINC001087601251	821689004	/nfs/dbraw/zinc/68/90/04/821689004.db2.gz	IIEUEKUVWJFHHX-GVDBMIGSSA-N	1	0	360.458	1.282	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCCC2)[C@@H]1CC	ZINC001087602964	821694043	/nfs/dbraw/zinc/69/40/43/821694043.db2.gz	PWLSGFODPNSMRT-DLBZAZTESA-N	1	0	358.486	1.879	20	30		FDEDRO
C=CCc1ccc(OCC(=O)NC[C@@H](C)N2CC[NH+](C)CC2)c(OC)c1	ZINC000524386427	828366654	/nfs/dbraw/zinc/36/66/54/828366654.db2.gz	UPWBKJYMFFZFRM-MRXNPFEDSA-N	1	0	361.486	1.555	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@H]1CC	ZINC001087649422	821927980	/nfs/dbraw/zinc/92/79/80/821927980.db2.gz	MBVPIBHPUUZVCG-DOTOQJQBSA-N	1	0	362.474	1.439	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)Cc2cn(CC)nn2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087668057	821968707	/nfs/dbraw/zinc/96/87/07/821968707.db2.gz	AJOCQOVNXIQFLU-VQTJNVASSA-N	1	0	365.481	1.861	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)cn2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087705569	822137147	/nfs/dbraw/zinc/13/71/47/822137147.db2.gz	VUTZAWQYIWTGIM-DOTOQJQBSA-N	1	0	351.410	1.424	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)[C@@H]2CC)c1	ZINC001087718730	822185263	/nfs/dbraw/zinc/18/52/63/822185263.db2.gz	FOKANXSOJUNBEP-RBUKOAKNSA-N	1	0	364.449	1.545	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cn(C)nc3C)[C@@H]2CC)nn1	ZINC001087755177	822371122	/nfs/dbraw/zinc/37/11/22/822371122.db2.gz	YYPWTVCZQGFSSZ-FUHWJXTLSA-N	1	0	371.489	1.679	20	30		FDEDRO
CCc1cc(N2CCC[C@H](NC(=O)N[C@H]3CC[N@@H+](C4CC4)C3)C2)ncn1	ZINC000329360087	822371969	/nfs/dbraw/zinc/37/19/69/822371969.db2.gz	BZZCZJLMCOPRMN-HOTGVXAUSA-N	1	0	358.490	1.748	20	30		FDEDRO
C=CCN1CC[C@@H](N2CC[C@H](NC(=O)c3nc(C)oc3C)[C@H]2CC)C1=O	ZINC001087773018	822423113	/nfs/dbraw/zinc/42/31/13/822423113.db2.gz	QRPUSYGXEFCBFR-ARFHVFGLSA-N	1	0	360.458	1.661	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCN(C(C)=O)C2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087811622	822475158	/nfs/dbraw/zinc/47/51/58/822475158.db2.gz	DKSLAZLHNZFVRD-SLFFLAALSA-N	1	0	368.481	1.896	20	30		FDEDRO
C=C(Br)CN1CC[C@H](NC(=O)c2cnn(C)c2OC)[C@H]1CC	ZINC001087812082	822475720	/nfs/dbraw/zinc/47/57/20/822475720.db2.gz	VPFSHNXJFKLNTO-QWHCGFSZSA-N	1	0	371.279	1.920	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)Cn2ccccc2=O)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087824092	822511810	/nfs/dbraw/zinc/51/18/10/822511810.db2.gz	JNIOMSCFJXHSAU-VQTJNVASSA-N	1	0	363.461	1.869	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)Cn2ccccc2=O)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087824262	822512005	/nfs/dbraw/zinc/51/20/05/822512005.db2.gz	RSUJWNQZXLWUPL-RBUKOAKNSA-N	1	0	364.449	1.889	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)Cn2ccccc2=O)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087824308	822512112	/nfs/dbraw/zinc/51/21/12/822512112.db2.gz	VJLQIYCGXYMNCL-DLBZAZTESA-N	1	0	370.478	1.951	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3ncc(C)cn3)[C@@H]2CC)CC1	ZINC001087840357	822559505	/nfs/dbraw/zinc/55/95/05/822559505.db2.gz	UDOFZLSBLVGSHQ-RBUKOAKNSA-N	1	0	369.513	1.599	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3cnns3)[C@@H]2CC)CC1	ZINC001087840482	822559706	/nfs/dbraw/zinc/55/97/06/822559706.db2.gz	ZHCQRJKSDMXYSO-DLBZAZTESA-N	1	0	361.515	1.352	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@@H]3CC34CC(O)C4)CC2)c1	ZINC000895594159	822667055	/nfs/dbraw/zinc/66/70/55/822667055.db2.gz	JSWPXJQTDMLSHO-QPIRBTGLSA-N	1	0	354.454	1.735	20	30		FDEDRO
CO[C@@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCO1	ZINC000895594514	822667210	/nfs/dbraw/zinc/66/72/10/822667210.db2.gz	RFOHGHIVVORZMR-SFHVURJKSA-N	1	0	358.442	1.537	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cccn4C)C[C@@H]3C2)C1=O	ZINC001087887257	822723377	/nfs/dbraw/zinc/72/33/77/822723377.db2.gz	XBBGSGZHHPEEQY-RYRKJORJSA-N	1	0	356.470	1.206	20	30		FDEDRO
C#CCN1CCC[C@H]([NH2+]Cc2sc(N3CCOCC3)nc2Cl)C1	ZINC000895748512	822727129	/nfs/dbraw/zinc/72/71/29/822727129.db2.gz	POWFEBSGVIZWHS-ZDUSSCGKSA-N	1	0	354.907	1.820	20	30		FDEDRO
N#Cc1ccc(N[C@H]2CCCN(c3ccnc(N4CCOCC4)n3)C2)nc1	ZINC000895849618	822770439	/nfs/dbraw/zinc/77/04/39/822770439.db2.gz	WKPCPSMZYGJQFT-INIZCTEOSA-N	1	0	365.441	1.661	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CC)C[C@H]1C(F)(F)F	ZINC001112190243	828526314	/nfs/dbraw/zinc/52/63/14/828526314.db2.gz	RHOBBMZUYMWEIN-BFHYXJOUSA-N	1	0	361.408	1.942	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@@H]2C1	ZINC001087910120	823760861	/nfs/dbraw/zinc/76/08/61/823760861.db2.gz	PIKRPTAPWQQYHN-FGTMMUONSA-N	1	0	352.438	1.117	20	30		FDEDRO
CN1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4C#N)CC[C@@H]3C2)C1	ZINC001087920049	823865905	/nfs/dbraw/zinc/86/59/05/823865905.db2.gz	CPRIUHDPXJLBOC-AABGKKOBSA-N	1	0	368.481	1.169	20	30		FDEDRO
Cc1nn(C)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C1	ZINC001087925415	823937444	/nfs/dbraw/zinc/93/74/44/823937444.db2.gz	LWZWWLUUPILLIE-WBVHZDCISA-N	1	0	352.442	1.522	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cc[nH]c4C)C[C@@H]3C2)C1=O	ZINC001087926724	823945019	/nfs/dbraw/zinc/94/50/19/823945019.db2.gz	VILUIZGHBUQJRB-RYRKJORJSA-N	1	0	356.470	1.504	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@H]4COC(=O)C4)C[C@@H]3C2)cc1	ZINC001087933941	823990628	/nfs/dbraw/zinc/99/06/28/823990628.db2.gz	LMQPBZPSEDXRHZ-QRVBRYPASA-N	1	0	367.449	1.792	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@@H]2C1)n1cncn1	ZINC001087940656	824038052	/nfs/dbraw/zinc/03/80/52/824038052.db2.gz	RLUWPZFDSARZCZ-LZQZEXGQSA-N	1	0	364.453	1.691	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CC(=O)NCC2CC2)C[C@H]1C(F)(F)F	ZINC001112191112	828603016	/nfs/dbraw/zinc/60/30/16/828603016.db2.gz	ISJWBCDRXCGAGF-ZIAGYGMSSA-N	1	0	361.408	1.848	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)C[C@@H]2C1	ZINC001087964530	824217791	/nfs/dbraw/zinc/21/77/91/824217791.db2.gz	ONZVNYSLJZTXMH-OAGGEKHMSA-N	1	0	357.458	1.119	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cn([C@H]4CCOC4)nc3C)C[C@@H]2C1	ZINC001087965850	824239698	/nfs/dbraw/zinc/23/96/98/824239698.db2.gz	AHLRKLOXFNWBIW-SQNIBIBYSA-N	1	0	356.470	1.570	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3cc(C)n[nH]3)[C@H]2CC)CC1	ZINC000984638375	824280768	/nfs/dbraw/zinc/28/07/68/824280768.db2.gz	GEPNEWQUGJEPGL-FUHWJXTLSA-N	1	0	371.485	1.173	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C(=O)O1	ZINC000896329344	824335796	/nfs/dbraw/zinc/33/57/96/824335796.db2.gz	OKOKTDHRQYIWRB-RHSMWYFYSA-N	1	0	356.426	1.480	20	30		FDEDRO
[NH2+]=C(NCCc1ccc(F)c(F)c1F)N1CCN(c2ncccn2)CC1	ZINC000262274663	824510072	/nfs/dbraw/zinc/51/00/72/824510072.db2.gz	UMXOKFGGUWTNIZ-UHFFFAOYSA-N	1	0	364.375	1.573	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)Cn2nccc2C)C[C@H]1C(F)(F)F	ZINC001112172685	824515567	/nfs/dbraw/zinc/51/55/67/824515567.db2.gz	QRURFRLVFVNZCA-ZIAGYGMSSA-N	1	0	360.380	1.373	20	30		FDEDRO
Cn1ccc(N2CCC[C@@H](NC(=O)N3CCCC34CC[NH+](C)CC4)C2=O)n1	ZINC000329057935	824549368	/nfs/dbraw/zinc/54/93/68/824549368.db2.gz	IRWVEFYEGDSABW-OAHLLOKOSA-N	1	0	374.489	1.390	20	30		FDEDRO
COC[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC(C)(C)O1	ZINC000329088532	824570944	/nfs/dbraw/zinc/57/09/44/824570944.db2.gz	VPBIQGUHYMIODK-BBWFWOEESA-N	1	0	369.506	1.404	20	30		FDEDRO
CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)N[C@@H](C)CN1CC[NH+](C)CC1	ZINC000329116054	824601902	/nfs/dbraw/zinc/60/19/02/824601902.db2.gz	IKDMTUZRQMIQEG-XWTMOSNGSA-N	1	0	368.522	1.052	20	30		FDEDRO
Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C	ZINC000329139268	824618939	/nfs/dbraw/zinc/61/89/39/824618939.db2.gz	FFEJQMOJZBPVHR-VUCTXSBTSA-N	1	0	361.490	1.807	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C	ZINC000896569648	824631838	/nfs/dbraw/zinc/63/18/38/824631838.db2.gz	VKOBXTQFAQDLFG-IEZWGBDMSA-N	1	0	358.486	1.712	20	30		FDEDRO
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1	ZINC000329153021	824632550	/nfs/dbraw/zinc/63/25/50/824632550.db2.gz	BNEFZUJCRHJDMS-YEWWUXTCSA-N	1	0	373.453	1.867	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)c(OC)c1	ZINC000896582444	824670124	/nfs/dbraw/zinc/67/01/24/824670124.db2.gz	WJZHYYUUHQREHZ-RDJZCZTQSA-N	1	0	361.486	1.553	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccn(C)c(=O)c2)C1	ZINC001029847108	828679680	/nfs/dbraw/zinc/67/96/80/828679680.db2.gz	OKLAURCBGNBIJB-KURKYZTESA-N	1	0	359.470	1.257	20	30		FDEDRO
Cc1noc(C(C)(C)NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)n1	ZINC000329308407	824725894	/nfs/dbraw/zinc/72/58/94/824725894.db2.gz	ZSPJBNFWAFHLFS-CABCVRRESA-N	1	0	365.478	1.885	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccc(N4CCCC4)nc3)CC2)C1=O	ZINC000329348382	824748458	/nfs/dbraw/zinc/74/84/58/824748458.db2.gz	WAGVCIQRZRPJPV-QGZVFWFLSA-N	1	0	371.485	1.682	20	30		FDEDRO
Cn1nccc1[C@H]1[C@H](CNC(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)CCC[N@@H+]1C	ZINC000329350141	824749693	/nfs/dbraw/zinc/74/96/93/824749693.db2.gz	SVPJNXSZKHMLSM-ONMISFSYSA-N	1	0	361.490	1.420	20	30		FDEDRO
Cn1nccc1[C@H]1[C@H](C[NH+]=C([O-])N2CCn3ccnc3C2)CCC[N@@H+]1C	ZINC000329353771	824751160	/nfs/dbraw/zinc/75/11/60/824751160.db2.gz	VDKHGAOHCRLSBE-WMLDXEAASA-N	1	0	357.462	1.429	20	30		FDEDRO
O=C(N[C@H]1CCCN(C(=O)N2CCCC2)C1)N1CC[N@@H+]2CCCC[C@H]2C1	ZINC000329359684	824754397	/nfs/dbraw/zinc/75/43/97/824754397.db2.gz	XQNIRBCSJYDHIY-IRXDYDNUSA-N	1	0	363.506	1.751	20	30		FDEDRO
CC(=O)Nc1c[nH]nc1[C@H]1CCCN([C@@H]2CCN(c3cnn(C)c3)C2=O)C1	ZINC000329364605	824756232	/nfs/dbraw/zinc/75/62/32/824756232.db2.gz	GBIJZABDXAQLQZ-XJKSGUPXSA-N	1	0	371.445	1.736	20	30		FDEDRO
COC(=O)[C@@H]1[C@H](C[N@@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)C1(F)F	ZINC000896654318	824771582	/nfs/dbraw/zinc/77/15/82/824771582.db2.gz	OZKWHMQZJVKNDZ-YDHLFZDLSA-N	1	0	350.369	1.884	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1	ZINC000329451645	824804246	/nfs/dbraw/zinc/80/42/46/824804246.db2.gz	DVZCTEBHMJWLNT-SZVBFZGTSA-N	1	0	373.501	1.584	20	30		FDEDRO
C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC[N@@H+]1C	ZINC000329480354	824828018	/nfs/dbraw/zinc/82/80/18/824828018.db2.gz	CWJQVSDGYDPZAM-BRWVUGGUSA-N	1	0	365.522	1.995	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)[C@H]1C[NH+]2CCC1CC2	ZINC000984781876	824878030	/nfs/dbraw/zinc/87/80/30/824878030.db2.gz	HJELNAFYOSUSKW-XYJFISCASA-N	1	0	369.469	1.337	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)C[N@@H+]1CC[C@@H](C)C1	ZINC000984782195	824878648	/nfs/dbraw/zinc/87/86/48/824878648.db2.gz	IVNBAPGEHODCBJ-UKPHBRMFSA-N	1	0	357.458	1.337	20	30		FDEDRO
CC(=O)N1CCN(C(NCC(=O)N(C)C)=[NH+]C(C)C)CC12CCCCC2	ZINC000262298694	824914634	/nfs/dbraw/zinc/91/46/34/824914634.db2.gz	NCIFBHIYMFIWOA-UHFFFAOYSA-N	1	0	365.522	1.296	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCCN(C)C3=O)CC[C@@H]2C1	ZINC001087992832	824955978	/nfs/dbraw/zinc/95/59/78/824955978.db2.gz	OOGSRMARJKGJPX-SQNIBIBYSA-N	1	0	370.497	1.689	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)C1	ZINC000984825804	825032350	/nfs/dbraw/zinc/03/23/50/825032350.db2.gz	GWCLXZFTMUULLQ-HHARLNAUSA-N	1	0	363.502	1.461	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cn(C)nc3C)CC[C@@H]2C1	ZINC001087998083	825074344	/nfs/dbraw/zinc/07/43/44/825074344.db2.gz	QBPXXPAYESHFPO-HOJAQTOUSA-N	1	0	369.513	1.106	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H]2C[N@H+]([C@@H](C)C(=O)NC)CC[C@@H]2C1	ZINC001088016656	825273735	/nfs/dbraw/zinc/27/37/35/825273735.db2.gz	PDVICSMWEAQPKT-BBWFWOEESA-N	1	0	371.481	1.780	20	30		FDEDRO
NC(=O)c1cc([C@H]2CCCN(CC(=O)NC3CC[NH+](C4CC4)CC3)C2)n[nH]1	ZINC000329673363	825283026	/nfs/dbraw/zinc/28/30/26/825283026.db2.gz	STYLWINXBRLGHV-ZDUSSCGKSA-N	1	0	374.489	1.271	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)COC[C@H]2CCOC2)C[C@H]1C(F)(F)F	ZINC001112173823	825301984	/nfs/dbraw/zinc/30/19/84/825301984.db2.gz	QCVJUEOLLGWQFO-BFHYXJOUSA-N	1	0	350.381	1.595	20	30		FDEDRO
O=C(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)N1CC[N@@H+]2CCC[C@@H]2C1	ZINC000329708660	825345987	/nfs/dbraw/zinc/34/59/87/825345987.db2.gz	MNFYEMUGFUXFQO-KFWWJZLASA-N	1	0	361.446	1.861	20	30		FDEDRO
N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cn[nH]n4)C[C@@H]3C2)c1	ZINC001088024383	825373697	/nfs/dbraw/zinc/37/36/97/825373697.db2.gz	FDILBEAATUYHNN-HIFRSBDPSA-N	1	0	354.389	1.410	20	30		FDEDRO
C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC1CCN(CC(=O)N(C)C)CC1	ZINC000329779529	825449662	/nfs/dbraw/zinc/44/96/62/825449662.db2.gz	LYZWYGUEGPTOCX-OAHLLOKOSA-N	1	0	367.538	1.115	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)CC[C@@H]3CCCO3)CC2)o1	ZINC000525971714	828782183	/nfs/dbraw/zinc/78/21/83/828782183.db2.gz	HOAPSDXNMMWBFF-HNNXBMFYSA-N	1	0	361.446	1.004	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCS(=O)(=O)C3)C[C@@H]2C1	ZINC001088032272	825462572	/nfs/dbraw/zinc/46/25/72/825462572.db2.gz	HQPVHKDLNZCKSV-BBWFWOEESA-N	1	0	354.516	1.558	20	30		FDEDRO
O=C(N[C@H]1CCc2c[nH]nc2C1)N1CCC(CC[NH+]2CCOCC2)CC1	ZINC000329869945	825516028	/nfs/dbraw/zinc/51/60/28/825516028.db2.gz	ZORCWZYOPRAFKZ-KRWDZBQOSA-N	1	0	361.490	1.615	20	30		FDEDRO
CO[C@@H]1C[N@H+](CC[C@H]2CCCC2(F)F)C[C@H]1NC(=O)CSCC#N	ZINC001211888767	825517963	/nfs/dbraw/zinc/51/79/63/825517963.db2.gz	NVYBMRJLGKRDCL-MGPQQGTHSA-N	1	0	361.458	1.884	20	30		FDEDRO
CO[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@H]1NC(=O)CSCC#N	ZINC001211888839	825518541	/nfs/dbraw/zinc/51/85/41/825518541.db2.gz	QNUATPAQRBIVKH-QZTJIDSGSA-N	1	0	359.495	1.747	20	30		FDEDRO
CCn1c(=O)[nH]c(=O)c2c(C(=O)NC3CC[NH+](C)CC3)cc(C3CC3)nc21	ZINC000329901693	825534623	/nfs/dbraw/zinc/53/46/23/825534623.db2.gz	HCWDFOLBBXETSA-UHFFFAOYSA-N	1	0	371.441	1.793	20	30		FDEDRO
CC[NH+]1CCN(c2cccc(NC(=O)N3CCN4C(=O)CC[C@@H]4C3)c2)CC1	ZINC000329911573	825543137	/nfs/dbraw/zinc/54/31/37/825543137.db2.gz	ARQPOLLLCTVLCZ-GOSISDBHSA-N	1	0	371.485	1.681	20	30		FDEDRO
CC[NH+]1CCN(c2cccc(NC(=O)N3C[C@@H](C)O[C@H](CO)C3)c2)CC1	ZINC000329938449	825553005	/nfs/dbraw/zinc/55/30/05/825553005.db2.gz	FBFKKIFUUFTLBO-QAPCUYQASA-N	1	0	362.474	1.456	20	30		FDEDRO
Cn1cc([C@]2(C)CN(CC(=O)NC3CC[NH+](C4CC4)CC3)CCO2)cn1	ZINC000329938243	825553356	/nfs/dbraw/zinc/55/33/56/825553356.db2.gz	LVFCKJPGJLMDBD-IBGZPJMESA-N	1	0	361.490	1.551	20	30		FDEDRO
CC(C)(CNC(=O)N1CCn2ncnc2C1)[N@@H+]1CCc2ccccc2C1	ZINC000329941396	825556487	/nfs/dbraw/zinc/55/64/87/825556487.db2.gz	VAPQNTNMYQAYIQ-UHFFFAOYSA-N	1	0	354.458	1.845	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nncn4CC3)C[C@@H]2C1	ZINC001088045593	825563532	/nfs/dbraw/zinc/56/35/32/825563532.db2.gz	BUDVKDFQCGQZDP-KURKYZTESA-N	1	0	357.502	1.977	20	30		FDEDRO
CC(=O)N1CCC[C@H](CNC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C1	ZINC000329983689	825578050	/nfs/dbraw/zinc/57/80/50/825578050.db2.gz	BLMKFABJZNRHBM-NVXWUHKLSA-N	1	0	366.506	1.344	20	30		FDEDRO
C=C(Cl)CN1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@@H]2C1	ZINC001088047038	825589900	/nfs/dbraw/zinc/58/99/00/825589900.db2.gz	BVTDGJITLJKPLC-XFHVWQCUSA-N	1	0	365.905	1.382	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(Cn4ccnn4)o3)C[C@@H]2C1	ZINC001088049515	825593609	/nfs/dbraw/zinc/59/36/09/825593609.db2.gz	LYYCLQLWPDQFGZ-CVEARBPZSA-N	1	0	355.442	1.889	20	30		FDEDRO
CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1	ZINC000330052556	825612522	/nfs/dbraw/zinc/61/25/22/825612522.db2.gz	PFFNZALPURHTDT-WBVHZDCISA-N	1	0	362.478	1.768	20	30		FDEDRO
Cn1cnc2c(c1=O)CCN(C(=O)N[C@H]1CC[N@H+](Cc3ccccc3)C1)C2	ZINC000330072410	825620461	/nfs/dbraw/zinc/62/04/61/825620461.db2.gz	ZAQQOIRLZVXCOI-INIZCTEOSA-N	1	0	367.453	1.327	20	30		FDEDRO
C[C@H](CNC(=O)N[C@@H](C)c1nnc2n1CCCC2)C[NH+]1CCN(C)CC1	ZINC000330074566	825622718	/nfs/dbraw/zinc/62/27/18/825622718.db2.gz	LGCGTNXBBKEECJ-CABCVRRESA-N	1	0	363.510	1.063	20	30		FDEDRO
CC(=O)N1CCN(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)[C@@H](C)C1	ZINC000330087717	825627511	/nfs/dbraw/zinc/62/75/11/825627511.db2.gz	NMENWTSWBFMRSG-HNNXBMFYSA-N	1	0	365.522	1.012	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@H](OC)CN3C(C)=O)C[C@@H]2C1	ZINC001088053508	825643860	/nfs/dbraw/zinc/64/38/60/825643860.db2.gz	LGOIHWXFGZOLIO-YDZRNGNQSA-N	1	0	363.502	1.369	20	30		FDEDRO
Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CCN(C)C[C@@H]2C)CCCC1	ZINC000330195287	825724871	/nfs/dbraw/zinc/72/48/71/825724871.db2.gz	ZNPVJUWWIIMSSI-ZDUSSCGKSA-N	1	0	361.490	1.817	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)CC(=O)N2CCCCC2)CC1	ZINC000985657857	828817421	/nfs/dbraw/zinc/81/74/21/828817421.db2.gz	ODDRCTJKFMSLTQ-MSOLQXFVSA-N	1	0	363.502	1.513	20	30		FDEDRO
CC[C@@H]1CN(C(=O)NCc2c(C)cc(C)[nH]c2=O)C[C@H]1N1CCOCC1	ZINC000330219075	825737701	/nfs/dbraw/zinc/73/77/01/825737701.db2.gz	JWSNLRZZWPIPSH-NVXWUHKLSA-N	1	0	362.474	1.861	20	30		FDEDRO
Cn1cc([C@@H]2CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)C2)cn1	ZINC000330234062	825749074	/nfs/dbraw/zinc/74/90/74/825749074.db2.gz	SKONZKBJPVGZHG-ZTFGCOKTSA-N	1	0	361.490	1.501	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@H]2CCn3ccnc3C2)CC1	ZINC000330240432	825762207	/nfs/dbraw/zinc/76/22/07/825762207.db2.gz	BKTPKQXZGOFEAR-DLBZAZTESA-N	1	0	360.506	1.214	20	30		FDEDRO
N#CCCn1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)n1	ZINC000280915436	825815301	/nfs/dbraw/zinc/81/53/01/825815301.db2.gz	HGICJHNZNHJLMX-INIZCTEOSA-N	1	0	372.473	1.649	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cncn1C	ZINC001029508536	825889317	/nfs/dbraw/zinc/88/93/17/825889317.db2.gz	IVLRKNVTFKUKDQ-NBMJBFSESA-N	1	0	358.486	1.967	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1=O	ZINC000281282828	825925864	/nfs/dbraw/zinc/92/58/64/825925864.db2.gz	IVMWJSCTCAHMDV-INIZCTEOSA-N	1	0	360.414	1.951	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CCCO1	ZINC000281187984	825906028	/nfs/dbraw/zinc/90/60/28/825906028.db2.gz	LDHCLEZCJPUUEH-VQIMIIECSA-N	1	0	354.454	1.858	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1=O	ZINC000281363275	825945885	/nfs/dbraw/zinc/94/58/85/825945885.db2.gz	OAXKNZITLXBYEK-MRXNPFEDSA-N	1	0	360.414	1.951	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4[C@@H]5COC[C@@H]54)C[C@@H]3C2)c(F)c1	ZINC001088073191	825974467	/nfs/dbraw/zinc/97/44/67/825974467.db2.gz	QTKWTEJCLZVCSI-RFSOPEBBSA-N	1	0	369.440	1.870	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3c[nH]cc3C)[C@@H]2CC)CC1	ZINC000984989753	826010260	/nfs/dbraw/zinc/01/02/60/826010260.db2.gz	UFDGDVIUBLMTPP-RBUKOAKNSA-N	1	0	370.497	1.778	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1CC	ZINC000985017553	826136809	/nfs/dbraw/zinc/13/68/09/826136809.db2.gz	RNGNZDSHOODABM-DLBZAZTESA-N	1	0	370.497	1.879	20	30		FDEDRO
Cc1ccc2[nH]c(CNC(=[NH2+])N3CCN(c4ncccn4)CC3)nc2c1	ZINC000262377764	826176000	/nfs/dbraw/zinc/17/60/00/826176000.db2.gz	GJUQNBHIDGKTLT-UHFFFAOYSA-N	1	0	350.430	1.298	20	30		FDEDRO
O=C(c1c[nH]c(=O)cn1)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001088083802	826221717	/nfs/dbraw/zinc/22/17/17/826221717.db2.gz	KMCZNFXCRLNCEK-MSOLQXFVSA-N	1	0	362.433	1.216	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3CCN(Cc4nc(C)no4)C[C@H]3C2)c1	ZINC001088098821	826388500	/nfs/dbraw/zinc/38/85/00/826388500.db2.gz	DAKHHMZMLRDGEU-WBVHZDCISA-N	1	0	351.410	1.348	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(OC)nn3)CC[C@@H]2C1	ZINC001088112532	826444867	/nfs/dbraw/zinc/44/48/67/826444867.db2.gz	KSHUZUZADJAAPQ-ATLSCFEFSA-N	1	0	372.469	1.357	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3c4ccccc4CC3=O)C[C@@H]2C1	ZINC001088120789	826495663	/nfs/dbraw/zinc/49/56/63/826495663.db2.gz	XMOMECHSIIBLRV-MSOLQXFVSA-N	1	0	353.466	1.932	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cccnc4)CC[C@@H]3C2)nn1	ZINC001088135643	826589125	/nfs/dbraw/zinc/58/91/25/826589125.db2.gz	UWFILNXKGSBEJE-MSOLQXFVSA-N	1	0	366.469	1.843	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccnn3C3CCOCC3)C[C@@H]2C1	ZINC001088135616	826589431	/nfs/dbraw/zinc/58/94/31/826589431.db2.gz	SXYQTQPYZFYFCN-SJORKVTESA-N	1	0	356.470	1.652	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)C[C@@H]2C1	ZINC001088138089	826620657	/nfs/dbraw/zinc/62/06/57/826620657.db2.gz	SGOSEJVBTGSLJJ-AKHDSKFASA-N	1	0	356.470	1.092	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1CC	ZINC000985165010	826668688	/nfs/dbraw/zinc/66/86/88/826668688.db2.gz	ZGFINCFICYWFSZ-TWMKSMIVSA-N	1	0	361.486	1.169	20	30		FDEDRO
CN(C)c1nccc(N2C[C@@H](F)C[C@H]2C[N@H+](C)Cc2cc(C#N)n(C)c2)n1	ZINC000475086003	826677076	/nfs/dbraw/zinc/67/70/76/826677076.db2.gz	OUHGPAMVJIKBKG-RDJZCZTQSA-N	1	0	371.464	1.802	20	30		FDEDRO
Cc1c(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cnn1CCC#N	ZINC000896987695	826744340	/nfs/dbraw/zinc/74/43/40/826744340.db2.gz	GZGLAOXNLATGHO-KRWDZBQOSA-N	1	0	358.490	1.346	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2CC)cn1	ZINC000985211555	826919137	/nfs/dbraw/zinc/91/91/37/826919137.db2.gz	FYYQANCHYRZOGS-RYQLBKOJSA-N	1	0	354.454	1.124	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2CC)nc1	ZINC000985209658	826929387	/nfs/dbraw/zinc/92/93/87/826929387.db2.gz	GXFZDAIBQPPJJG-CGTJXYLNSA-N	1	0	356.470	1.512	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)Cc3nnc[nH]3)C[C@@H]2C1	ZINC001088165093	826943011	/nfs/dbraw/zinc/94/30/11/826943011.db2.gz	NUPIYODJYIUJBB-SJORKVTESA-N	1	0	350.426	1.199	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H](C)n1ccnc1)C2	ZINC001112537155	833158628	/nfs/dbraw/zinc/15/86/28/833158628.db2.gz	SGLGWOZWEPUNNJ-BJLQDIEVSA-N	1	0	358.486	1.702	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](CC(=O)N4CCCC4)CC[C@@H]3C2)nc1	ZINC001088174501	827221585	/nfs/dbraw/zinc/22/15/85/827221585.db2.gz	ZGBPESOTVYLDLB-MSOLQXFVSA-N	1	0	366.465	1.079	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CN3Cc4ccccc4C3=O)C[C@@H]2C1	ZINC001088175100	827224288	/nfs/dbraw/zinc/22/42/88/827224288.db2.gz	FHRCXBZBAURGBP-AEFFLSMTSA-N	1	0	351.450	1.446	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCN(CC)C4=O)CC[C@@H]3C2)nc1	ZINC001088174186	827255707	/nfs/dbraw/zinc/25/57/07/827255707.db2.gz	KSFCWDSSHTVABC-ZIFCJYIRSA-N	1	0	366.465	1.078	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)c4ccccc43)C[C@@H]2C1	ZINC001088178300	827262306	/nfs/dbraw/zinc/26/23/06/827262306.db2.gz	DJZXHFZKBHYVCO-CABCVRRESA-N	1	0	350.422	1.753	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)c4ccccc43)C[C@@H]2C1	ZINC001088179193	827265500	/nfs/dbraw/zinc/26/55/00/827265500.db2.gz	WHOYKQBVVGZQGY-CABCVRRESA-N	1	0	350.422	1.753	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CN(C(=O)COc3cccc(C(N)=O)c3)C[C@@H]2C1	ZINC001088210538	827485844	/nfs/dbraw/zinc/48/58/44/827485844.db2.gz	PEQKNKLHUXUBIA-SJORKVTESA-N	1	0	357.454	1.521	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4ccn(C)n4)C[C@H]3C2)CC1	ZINC001088212144	827493817	/nfs/dbraw/zinc/49/38/17/827493817.db2.gz	ROHDOKUXSZSZPU-MOPGFXCFSA-N	1	0	369.513	1.046	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3CC(F)(F)F)C[C@@H]2C1	ZINC001088212754	827507371	/nfs/dbraw/zinc/50/73/71/827507371.db2.gz	NTSDPIQDUYWXTM-OWCLPIDISA-N	1	0	357.420	1.817	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1	ZINC001088234907	827598415	/nfs/dbraw/zinc/59/84/15/827598415.db2.gz	FQZDWMGCCZQUQY-UHOSZYNNSA-N	1	0	366.502	1.696	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1	ZINC001088235068	827603766	/nfs/dbraw/zinc/60/37/66/827603766.db2.gz	IWJCJXXTXKCOQT-SZMVWBNQSA-N	1	0	352.475	1.306	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CO[C@@H]2CC[N@@H+](CCOC)C2)CC1	ZINC001088238144	827644470	/nfs/dbraw/zinc/64/44/70/827644470.db2.gz	MLEOKGGXPRZPCZ-QRVBRYPASA-N	1	0	366.502	1.553	20	30		FDEDRO
CCC[C@@H]1CN(C(=O)NCc2nc(C#N)cs2)CC[N@@H+]1CCOC	ZINC000897286470	827720761	/nfs/dbraw/zinc/72/07/61/827720761.db2.gz	QPQFRAPPXLVBON-CQSZACIVSA-N	1	0	351.476	1.657	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@@H+](C)CCc2cnn(C)c2)CC1	ZINC000985436127	827820924	/nfs/dbraw/zinc/82/09/24/827820924.db2.gz	VZVRKZSDEXDHIF-MOPGFXCFSA-N	1	0	360.502	1.867	20	30		FDEDRO
C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](CC)CCC)C[C@H]1C(F)(F)F	ZINC001112185014	827874253	/nfs/dbraw/zinc/87/42/53/827874253.db2.gz	PNVMPTWGNYRDTG-MGPQQGTHSA-N	1	0	361.408	1.541	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1	ZINC000665798072	827928387	/nfs/dbraw/zinc/92/83/87/827928387.db2.gz	VIOKZKHFSKAXNU-SFHVURJKSA-N	1	0	372.469	1.977	20	30		FDEDRO
C=CCn1c(C(=O)NC(C)C)nnc1N1CCC(C[NH+]2CCCC2)CC1	ZINC000508495930	827944250	/nfs/dbraw/zinc/94/42/50/827944250.db2.gz	BIAOOGVRJSKPLM-UHFFFAOYSA-N	1	0	360.506	1.915	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H](C[N@H+](C)Cc3cccc(C#N)c3)C2)O1	ZINC001029767196	828030296	/nfs/dbraw/zinc/03/02/96/828030296.db2.gz	LYXVOEGKVWFFCW-NSISKUIASA-N	1	0	370.497	1.558	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)COC)C[C@H]1C(F)(F)F	ZINC001112186777	828051770	/nfs/dbraw/zinc/05/17/70/828051770.db2.gz	FZKVUDPKYUVVIK-BFHYXJOUSA-N	1	0	352.397	1.841	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@@H](C)COc1ccccc1OC	ZINC000305708532	828081819	/nfs/dbraw/zinc/08/18/19/828081819.db2.gz	WVVUTOXKPDVQNS-MRXNPFEDSA-N	1	0	364.490	1.207	20	30		FDEDRO
C=CCN1CC[C@@H]([NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)C1=O	ZINC000282015963	828120565	/nfs/dbraw/zinc/12/05/65/828120565.db2.gz	OVGFXVYONBRXDH-GOSISDBHSA-N	1	0	359.445	1.941	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)n(C(C)(C)C)n1	ZINC000527117399	828965453	/nfs/dbraw/zinc/96/54/53/828965453.db2.gz	BEXBGYMVNNJIDP-UHFFFAOYSA-N	1	0	362.478	1.579	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)NC3CC([NH+]4CCCCC4)C3)CC2)n1	ZINC000527238402	828999879	/nfs/dbraw/zinc/99/98/79/828999879.db2.gz	AUZNSXBFMAEOOL-UHFFFAOYSA-N	1	0	368.485	1.802	20	30		FDEDRO
CC(C)N(C)C(=O)C1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1	ZINC000528355281	829364346	/nfs/dbraw/zinc/36/43/46/829364346.db2.gz	ZROKTGWUNJCOJJ-GOSISDBHSA-N	1	0	359.470	1.877	20	30		FDEDRO
NC(=O)CC[C@@H]1CCC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000528369064	829374412	/nfs/dbraw/zinc/37/44/12/829374412.db2.gz	PRWUJHRNQPOUOL-HNNXBMFYSA-N	1	0	353.422	1.264	20	30		FDEDRO
CCO[C@@H]1C[C@H](O)C12CC[NH+](C[C@H](O)COc1ccccc1C#N)CC2	ZINC000528390185	829378220	/nfs/dbraw/zinc/37/82/20/829378220.db2.gz	WFFSTEQTMGAIDW-YTQUADARSA-N	1	0	360.454	1.550	20	30		FDEDRO
Cc1nsc(N2CCC[N@H+](C[C@H](O)COc3ccccc3C#N)CC2)n1	ZINC000528394277	829380497	/nfs/dbraw/zinc/38/04/97/829380497.db2.gz	ZYLQFOURAVPHII-INIZCTEOSA-N	1	0	373.482	1.670	20	30		FDEDRO
C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CC#CCN1C(=O)c2ccccc2C1=O	ZINC000528502969	829428952	/nfs/dbraw/zinc/42/89/52/829428952.db2.gz	JKMQUSCCTFBSQC-LPHOPBHVSA-N	1	0	351.450	1.845	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]C[C@@H](O)c1ccccc1F	ZINC001168110112	829545431	/nfs/dbraw/zinc/54/54/31/829545431.db2.gz	NVANYRVDVJCXMH-JQHSSLGASA-N	1	0	350.434	1.936	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)Nc1ccccc1F	ZINC001168110102	829545498	/nfs/dbraw/zinc/54/54/98/829545498.db2.gz	NKXVNYVLVWWCMO-KSSFIOAISA-N	1	0	363.433	1.841	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]Cc1cn(-c2ccccc2)nn1	ZINC001168110490	829555041	/nfs/dbraw/zinc/55/50/41/829555041.db2.gz	WTMBQSKEDFHGMY-OALUTQOASA-N	1	0	369.469	1.844	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)N1CCCCCC1	ZINC001168110555	829555181	/nfs/dbraw/zinc/55/51/81/829555181.db2.gz	ZGNXUNGBOLDYHJ-BZSNNMDCSA-N	1	0	365.518	1.855	20	30		FDEDRO
CN1CC[NH+](CC2(C)CCN(C(=O)Cc3ccc(C#N)nc3)CC2)CC1	ZINC000529020324	829679279	/nfs/dbraw/zinc/67/92/79/829679279.db2.gz	BWEFKJQPYJFCND-UHFFFAOYSA-N	1	0	355.486	1.372	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(CCOc2cccc(OC)c2)CC1	ZINC000450142543	829833070	/nfs/dbraw/zinc/83/30/70/829833070.db2.gz	CAJNDZDXPRYRCH-MOPGFXCFSA-N	1	0	360.454	1.809	20	30		FDEDRO
Cn1c(C#N)ccc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000450180739	829846465	/nfs/dbraw/zinc/84/64/65/829846465.db2.gz	LMWQYCLNBXSSSF-SJLPKXTDSA-N	1	0	352.438	1.510	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)NC[C@H]3COCC[NH2+]3)CC2)c(F)c1	ZINC000529388404	829861911	/nfs/dbraw/zinc/86/19/11/829861911.db2.gz	SSLYREFISIJEMG-AWEZNQCLSA-N	1	0	362.405	1.239	20	30		FDEDRO
COC(=O)C1CC[NH+](CCCNc2nc3c(cc2C#N)COCC3)CC1	ZINC000450259033	829891357	/nfs/dbraw/zinc/89/13/57/829891357.db2.gz	UYEGDYVKFRKGMG-UHFFFAOYSA-N	1	0	358.442	1.713	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1	ZINC000729811841	837407375	/nfs/dbraw/zinc/40/73/75/837407375.db2.gz	DOLPJPCSFHSNKJ-ZFWWWQNUSA-N	1	0	362.376	1.959	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1	ZINC001059678716	830340922	/nfs/dbraw/zinc/34/09/22/830340922.db2.gz	YMIPVULCWUCQNP-AOIWGVFYSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)OC	ZINC000451684460	830427574	/nfs/dbraw/zinc/42/75/74/830427574.db2.gz	XSJBTXIFBHEDIZ-KURKYZTESA-N	1	0	358.438	1.436	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H]([NH2+]C[C@@H]2CCCN2c2cccnn2)C1=O	ZINC000530961792	830491651	/nfs/dbraw/zinc/49/16/51/830491651.db2.gz	BVMSVTAHHHDJKK-GJZGRUSLSA-N	1	0	368.466	1.774	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCCO[C@@H]3CCOC3)=[NH+]C[C@H]2C1	ZINC000305038068	830538069	/nfs/dbraw/zinc/53/80/69/830538069.db2.gz	UDGUGZKTSSLRPR-LSDHHAIUSA-N	1	0	368.478	1.063	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1	ZINC000305370363	830666049	/nfs/dbraw/zinc/66/60/49/830666049.db2.gz	XEBKMNJVYYWJQW-BZUAXINKSA-N	1	0	364.490	1.859	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)c1	ZINC000453646080	830980857	/nfs/dbraw/zinc/98/08/57/830980857.db2.gz	BHOVWKMUPJNWTR-UHFFFAOYSA-N	1	0	370.453	1.376	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1	ZINC000453658891	830990235	/nfs/dbraw/zinc/99/02/35/830990235.db2.gz	UWYQSKWPMOABRU-ZDUSSCGKSA-N	1	0	358.442	1.742	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)Nc1cccc(CC#N)c1	ZINC000453672700	831000764	/nfs/dbraw/zinc/00/07/64/831000764.db2.gz	LMDMCJPWMPIOIC-UHFFFAOYSA-N	1	0	354.410	1.875	20	30		FDEDRO
C[NH+](C)[C@@H](C(=O)N1C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CC[C@@H]2C1)C1CC1	ZINC000986257961	831386826	/nfs/dbraw/zinc/38/68/26/831386826.db2.gz	DITROEVOAMGGTE-SOLBZPMBSA-N	1	0	369.469	1.147	20	30		FDEDRO
C=C1CC(C)(C(=O)N2CC[C@@H]3CN(C(=O)[C@H](C4CC4)[NH+](C)C)C[C@@H]3C2)C1	ZINC000986258312	831387400	/nfs/dbraw/zinc/38/74/00/831387400.db2.gz	GAUCJUKXFSQUEW-SQNIBIBYSA-N	1	0	359.514	1.990	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CC[C@@H]2C1	ZINC000986368215	831562031	/nfs/dbraw/zinc/56/20/31/831562031.db2.gz	YVJLJYHRLYLBGD-RVKKMQEKSA-N	1	0	369.469	1.291	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC1	ZINC000897393528	832030146	/nfs/dbraw/zinc/03/01/46/832030146.db2.gz	NTVRKVYZTCNRIW-GASCZTMLSA-N	1	0	350.463	1.439	20	30		FDEDRO
C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1	ZINC000986854318	832280523	/nfs/dbraw/zinc/28/05/23/832280523.db2.gz	GNYNULHCEVKPIF-HBUWYVDXSA-N	1	0	371.485	1.583	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C[C@H](O)Cc1ccccc1	ZINC001088511456	832323227	/nfs/dbraw/zinc/32/32/27/832323227.db2.gz	OSNBVZRFDWUFFS-OLMNPRSZSA-N	1	0	352.438	1.683	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CCC([C@H](C)NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1	ZINC000986947385	832325450	/nfs/dbraw/zinc/32/54/50/832325450.db2.gz	SCJLXINUJRYCGS-HLLBOEOZSA-N	1	0	365.518	1.661	20	30		FDEDRO
CC(C)[C@@H](C(=O)OCc1cc(=O)n2ncc(C#N)c2[nH]1)[NH+]1CCCCC1	ZINC000783781550	833628025	/nfs/dbraw/zinc/62/80/25/833628025.db2.gz	YIYXMQWMASYWFD-INIZCTEOSA-N	1	0	357.414	1.860	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000987886829	833764581	/nfs/dbraw/zinc/76/45/81/833764581.db2.gz	HRIZQXUCTUGAAI-IIAWOOMASA-N	1	0	357.458	1.147	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000987923147	833790375	/nfs/dbraw/zinc/79/03/75/833790375.db2.gz	IACPIEXXLMJFLP-FHLIZLRMSA-N	1	0	371.485	1.537	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3cc(C)[nH]c3C)[C@H]2C)CC1	ZINC000987996217	833889757	/nfs/dbraw/zinc/88/97/57/833889757.db2.gz	CQHWCTOKVHIXAK-APWZRJJASA-N	1	0	370.497	1.696	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2C)cc1	ZINC000988099783	834048022	/nfs/dbraw/zinc/04/80/22/834048022.db2.gz	XBBQQBWVJCADNH-SUMDDJOVSA-N	1	0	369.465	1.370	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](CN(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC000988172704	834153601	/nfs/dbraw/zinc/15/36/01/834153601.db2.gz	VXMRWEQSDNPZLK-GPMSIDNRSA-N	1	0	368.481	1.324	20	30		FDEDRO
C=CCN(C(=O)C[C@H]1COCC[NH2+]1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000262570093	837772469	/nfs/dbraw/zinc/77/24/69/837772469.db2.gz	SFRORSUNCIHHNM-ZBFHGGJFSA-N	1	0	356.430	1.116	20	30		FDEDRO
C=CCC[C@H](CO)NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1	ZINC000454053588	834503888	/nfs/dbraw/zinc/50/38/88/834503888.db2.gz	IOLDLEOBYLNKDG-GOSISDBHSA-N	1	0	359.470	1.707	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)nc1	ZINC000841700953	834986191	/nfs/dbraw/zinc/98/61/91/834986191.db2.gz	OZUPCEORYASMKK-KRWDZBQOSA-N	1	0	350.426	1.551	20	30		FDEDRO
O=C(NCC#Cc1ccccc1)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1	ZINC000419116872	835435493	/nfs/dbraw/zinc/43/54/93/835435493.db2.gz	PHJMCGOVEBIQOE-RBUKOAKNSA-N	1	0	353.466	1.535	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1	ZINC000245607019	835498476	/nfs/dbraw/zinc/49/84/76/835498476.db2.gz	KFOYQUJAXVQLFQ-WBVHZDCISA-N	1	0	357.458	1.118	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)C[C@@H]3C=CCC3)[C@@H]2C)CC1	ZINC000988506015	835657135	/nfs/dbraw/zinc/65/71/35/835657135.db2.gz	IDQPFOWVRSBYQP-LMMKCTJWSA-N	1	0	357.498	1.794	20	30		FDEDRO
N#CCCn1ccc(NC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)n1	ZINC000245987960	835776092	/nfs/dbraw/zinc/77/60/92/835776092.db2.gz	WLTHZOQTRWFEBE-DLBZAZTESA-N	1	0	368.441	1.554	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCCNC4=O)[C@@H]3C2)c1	ZINC001075910793	835851865	/nfs/dbraw/zinc/85/18/65/835851865.db2.gz	KPURYOMJTJEFMJ-RCCFBDPRSA-N	1	0	352.438	1.117	20	30		FDEDRO
CCN1C[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1=O	ZINC000455408470	836045620	/nfs/dbraw/zinc/04/56/20/836045620.db2.gz	NAHXDVORQSRZRU-SFHVURJKSA-N	1	0	369.469	1.396	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2C)C[C@H]1OC	ZINC001212024439	836305954	/nfs/dbraw/zinc/30/59/54/836305954.db2.gz	UCQVYWZIRFMJDR-YQVWRLOYSA-N	1	0	362.470	1.516	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCCOCCc2ccccc2)C[C@H]1NC(=O)[C@H](C)C#N	ZINC001212045522	836375664	/nfs/dbraw/zinc/37/56/64/836375664.db2.gz	PYMAIIZAINPZDT-BHIYHBOVSA-N	1	0	359.470	1.611	20	30		FDEDRO
COc1ccc(OCCC[N@@H+]2C[C@@H](NC(=O)[C@H](C)C#N)[C@H](OC)C2)cc1	ZINC001212045701	836377202	/nfs/dbraw/zinc/37/72/02/836377202.db2.gz	VFUHDBQVTPSNFD-ZTFGCOKTSA-N	1	0	361.442	1.439	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4cncs4)[C@@H]3C2)C1=O	ZINC001075914917	836395833	/nfs/dbraw/zinc/39/58/33/836395833.db2.gz	PWWJMFAYIMYTMN-CWRNSKLLSA-N	1	0	360.483	1.005	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn4cc[nH]c34)[C@H]2C(C)C)C[C@H]1O	ZINC001105669255	844166374	/nfs/dbraw/zinc/16/63/74/844166374.db2.gz	QKXCNQANIYHSNO-WWNBULGVSA-N	1	0	369.469	1.265	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)CN(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000249581696	836492741	/nfs/dbraw/zinc/49/27/41/836492741.db2.gz	RIODXQAPGBSSRW-SFTDATJTSA-N	1	0	372.513	1.610	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1	ZINC000938028906	836994272	/nfs/dbraw/zinc/99/42/72/836994272.db2.gz	YSAKRIMAAVHNJZ-LNLFQRSKSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000938030392	836999594	/nfs/dbraw/zinc/99/95/94/836999594.db2.gz	VWFRLSMJWNGIHX-SZMVWBNQSA-N	1	0	368.437	1.646	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@H]1OC	ZINC001212092597	837106549	/nfs/dbraw/zinc/10/65/49/837106549.db2.gz	IMCWFPKPYGQMDP-KZNAEPCWSA-N	1	0	354.491	1.744	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O	ZINC001083456288	837339845	/nfs/dbraw/zinc/33/98/45/837339845.db2.gz	OSOBWPNSIGYOKI-QYZOEREBSA-N	1	0	356.470	1.092	20	30		FDEDRO
C=C(Cl)CN1CC[C@H](NC(=O)c2[nH]c(C)c(C(N)=O)c2CC)[C@H]1C	ZINC001088619944	838072153	/nfs/dbraw/zinc/07/21/53/838072153.db2.gz	LKTCHODJSBXLPH-YPMHNXCESA-N	1	0	352.866	1.930	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@H]2C)cc1	ZINC000989051919	838231166	/nfs/dbraw/zinc/23/11/66/838231166.db2.gz	RSNUFBDGZZFDCW-AYBZRNKSSA-N	1	0	353.466	1.729	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1	ZINC000272007658	838425949	/nfs/dbraw/zinc/42/59/49/838425949.db2.gz	JHKMLXYTLUQWDZ-PXAZEXFGSA-N	1	0	359.426	1.899	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C)cn1	ZINC000989160168	838530189	/nfs/dbraw/zinc/53/01/89/838530189.db2.gz	ZYPJUGIJJUQAGG-VKJFTORMSA-N	1	0	354.454	1.124	20	30		FDEDRO
CN(Cc1ccoc1)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000459924677	839091295	/nfs/dbraw/zinc/09/12/95/839091295.db2.gz	FRCYEHIRSCPRAF-UHFFFAOYSA-N	1	0	368.437	1.700	20	30		FDEDRO
C[C@H]1NC(=O)CC[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000282074432	839544691	/nfs/dbraw/zinc/54/46/91/839544691.db2.gz	CRWNKRWTGUYAAX-QAPCUYQASA-N	1	0	369.469	1.443	20	30		FDEDRO
CCN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C	ZINC001088683458	839717887	/nfs/dbraw/zinc/71/78/87/839717887.db2.gz	WRDZUNQTKLOICM-AYOQOUSVSA-N	1	0	356.470	1.358	20	30		FDEDRO
C#Cc1cccc(NC(=S)NNC(=S)NCC2CC[NH+](C)CC2)c1	ZINC000760483239	839993232	/nfs/dbraw/zinc/99/32/32/839993232.db2.gz	MEDRQNMKKDZEQR-UHFFFAOYSA-N	1	0	361.540	1.675	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+][C@@H]1C[C@@]2(CN(C(C)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105582885	840009346	/nfs/dbraw/zinc/00/93/46/840009346.db2.gz	ZEIGELIXHVVTKK-LFGUQSLTSA-N	1	0	363.502	1.173	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc[n+]([O-])cc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105590478	840125697	/nfs/dbraw/zinc/12/56/97/840125697.db2.gz	KQBXDPALYLTSPT-FTEYMNFISA-N	1	0	359.470	1.476	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N1CCC(CC)([NH+]2CCCCC2)CC1	ZINC000898120844	840788505	/nfs/dbraw/zinc/78/85/05/840788505.db2.gz	KFEQQDPEIIYHKP-UHFFFAOYSA-N	1	0	365.518	1.952	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105600090	840983706	/nfs/dbraw/zinc/98/37/06/840983706.db2.gz	ALOJBSZDRHUHPV-FTEYMNFISA-N	1	0	356.470	1.388	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(CC)n[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105600759	841013842	/nfs/dbraw/zinc/01/38/42/841013842.db2.gz	MMZCAISQKVBJMI-MLYOOKFZSA-N	1	0	358.486	1.575	20	30		FDEDRO
C[NH+](C)CC(C)(C)CNC(=S)N1CCN(c2cccc(C#N)n2)CC1	ZINC000760511501	841158297	/nfs/dbraw/zinc/15/82/97/841158297.db2.gz	YCJQOMWKTXANSV-UHFFFAOYSA-N	1	0	360.531	1.538	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CNC(=O)C3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105603527	841163404	/nfs/dbraw/zinc/16/34/04/841163404.db2.gz	LDUQZIPCFSSQKM-QQTQMKHKSA-N	1	0	363.502	1.055	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCC3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105606511	841213216	/nfs/dbraw/zinc/21/32/16/841213216.db2.gz	DRGFRKYQHPIYTP-RMVXJAJNSA-N	1	0	362.514	1.793	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCC3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105606513	841213620	/nfs/dbraw/zinc/21/36/20/841213620.db2.gz	DRGFRKYQHPIYTP-UKAVVXHISA-N	1	0	362.514	1.793	20	30		FDEDRO
CCOCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC#CCOC)C2)[C@H]1C(C)C	ZINC001105607899	841237532	/nfs/dbraw/zinc/23/75/32/841237532.db2.gz	ZOEVWICTCVGULW-HNBVOPMISA-N	1	0	366.502	1.029	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C)c1	ZINC000989807918	841510425	/nfs/dbraw/zinc/51/04/25/841510425.db2.gz	IOLDJQORNQUBFW-DTDBQYNISA-N	1	0	354.454	1.122	20	30		FDEDRO
O=C(N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O)[C@@H](C1CC1)[NH+]1CCCC1	ZINC001083668145	861236876	/nfs/dbraw/zinc/23/68/76/861236876.db2.gz	DOKVGJLYLKVZKW-QHAWAJNXSA-N	1	0	367.493	1.074	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)[C@H]2C)nc1	ZINC000990005914	841801149	/nfs/dbraw/zinc/80/11/49/841801149.db2.gz	VCWJVGIIVGDRCM-WBVHZDCISA-N	1	0	368.481	1.514	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC3CCC3)C2)[C@@H]1C(C)C	ZINC001105612018	841938495	/nfs/dbraw/zinc/93/84/95/841938495.db2.gz	WTKHVKZLTTWRQO-IZBJGVDFSA-N	1	0	350.503	1.955	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)[C@@H]2C1	ZINC001075948743	842122391	/nfs/dbraw/zinc/12/23/91/842122391.db2.gz	GLCPTLXPRMZAFW-YJNKXOJESA-N	1	0	362.392	1.832	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(F)nc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105615152	842229831	/nfs/dbraw/zinc/22/98/31/842229831.db2.gz	PPIIHCNUGUWRGS-ZTRFORPCSA-N	1	0	359.445	1.824	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619356	842236851	/nfs/dbraw/zinc/23/68/51/842236851.db2.gz	JMPWMOFNYSQSQZ-UIXUWTQFSA-N	1	0	360.502	1.966	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3(O)CCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105622664	842248112	/nfs/dbraw/zinc/24/81/12/842248112.db2.gz	FDOJCEXPTNPOJX-RWQQGDIJSA-N	1	0	350.503	1.834	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)c2c[nH]c(C#N)c2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCF)C2	ZINC001105622596	842248439	/nfs/dbraw/zinc/24/84/39/842248439.db2.gz	DHOAILXUDMXZGH-VXNCWWDNSA-N	1	0	362.449	1.826	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cncnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105623116	842250890	/nfs/dbraw/zinc/25/08/90/842250890.db2.gz	MQLCRHUPDIJYKS-JYBIWHBTSA-N	1	0	358.486	1.561	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnnn3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105623307	842251245	/nfs/dbraw/zinc/25/12/45/842251245.db2.gz	PGEICGSSIZODLR-MYZZLAAOSA-N	1	0	361.490	1.454	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3(OC)CCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105626482	842256958	/nfs/dbraw/zinc/25/69/58/842256958.db2.gz	BIKHHSWSXZAVFH-IZBJGVDFSA-N	1	0	362.514	1.935	20	30		FDEDRO
CCOCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C#CC3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105627687	842260513	/nfs/dbraw/zinc/26/05/13/842260513.db2.gz	OYDSNSSTARMRGL-UKAVVXHISA-N	1	0	362.514	1.793	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCOCC=C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105614193	842265700	/nfs/dbraw/zinc/26/57/00/842265700.db2.gz	FJPWTAIPCYKATK-UKAVVXHISA-N	1	0	362.514	1.959	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc[nH]c3=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637533	842272291	/nfs/dbraw/zinc/27/22/91/842272291.db2.gz	RIYWEBITJXBCEW-YKTARERQSA-N	1	0	360.458	1.338	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCn3ccnn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105637697	842272694	/nfs/dbraw/zinc/27/26/94/842272694.db2.gz	UUNKREULXVBGSU-ZAWLATJESA-N	1	0	361.490	1.210	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(COCC)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105641307	842275935	/nfs/dbraw/zinc/27/59/35/842275935.db2.gz	AIAMLFAXKSVZBE-VIPLHTEESA-N	1	0	350.503	1.955	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]C/C=C\Cl)C2)[C@H]1C(C)C	ZINC001105632525	842280061	/nfs/dbraw/zinc/28/00/61/842280061.db2.gz	MEEJSPNQMPKZIP-SACRGGHDSA-N	1	0	368.905	1.745	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccncc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105634114	842284041	/nfs/dbraw/zinc/28/40/41/842284041.db2.gz	ZKWKQVYNBDWLBT-WKDRNLAYSA-N	1	0	369.509	1.922	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCC#N)C2)[C@@H]1C(C)C	ZINC001105642041	842301817	/nfs/dbraw/zinc/30/18/17/842301817.db2.gz	GVAXAMCMLAHXGU-OAFZBRQQSA-N	1	0	350.507	1.206	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(OC)nc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105642585	842316553	/nfs/dbraw/zinc/31/65/53/842316553.db2.gz	KNKHAMRJPCYGEW-VGUOSERISA-N	1	0	371.481	1.693	20	30		FDEDRO
CCOC(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1	ZINC000477026159	842320934	/nfs/dbraw/zinc/32/09/34/842320934.db2.gz	GFUZFIKDEZXRIE-HOCLYGCPSA-N	1	0	355.394	1.465	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccc(=O)[nH]c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105642979	842326672	/nfs/dbraw/zinc/32/66/72/842326672.db2.gz	PULMQWJPZYIKIC-DEPWHIHDSA-N	1	0	371.481	1.319	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(OC)ccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105645381	842393046	/nfs/dbraw/zinc/39/30/46/842393046.db2.gz	AFRIVGRCVWMTBL-XCJLJZCSSA-N	1	0	371.481	1.693	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCn3ccnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105648098	842415499	/nfs/dbraw/zinc/41/54/99/842415499.db2.gz	WTJLUUWJRCFCGR-IZBJGVDFSA-N	1	0	358.486	1.263	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3[nH]c(C)nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105656343	842492323	/nfs/dbraw/zinc/49/23/23/842492323.db2.gz	OYHBSAFULDFACD-QQTQMKHKSA-N	1	0	358.486	1.630	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ocnc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105656304	842492425	/nfs/dbraw/zinc/49/24/25/842492425.db2.gz	ORQMJOHBIORGKU-QQTQMKHKSA-N	1	0	359.470	1.840	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C)[nH]c3=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105657377	842494501	/nfs/dbraw/zinc/49/45/01/842494501.db2.gz	YQMQEOPDQAOSKE-DCXXXQMHSA-N	1	0	371.481	1.699	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C4CC4)n[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105657251	842496816	/nfs/dbraw/zinc/49/68/16/842496816.db2.gz	XLBICQGYFLZRAS-XCJLJZCSSA-N	1	0	370.497	1.890	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C4CC4)n[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105657250	842497242	/nfs/dbraw/zinc/49/72/42/842497242.db2.gz	XLBICQGYFLZRAS-WERVVEIQSA-N	1	0	370.497	1.890	20	30		FDEDRO
CC(=O)N1CCC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)C1	ZINC001088720441	842510513	/nfs/dbraw/zinc/51/05/13/842510513.db2.gz	LTBYCRBQIWPWAS-XPGWFJOJSA-N	1	0	368.481	1.896	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CN(C)C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC000990545978	842757002	/nfs/dbraw/zinc/75/70/02/842757002.db2.gz	YZFFPIWEHBWMPG-HYVNUMGLSA-N	1	0	371.485	1.680	20	30		FDEDRO
C[C@]12CN(C(=O)Cn3cnc(C#N)n3)C[C@@]1(C)C[N@H+](Cc1ccccc1)C2	ZINC000913084607	861383590	/nfs/dbraw/zinc/38/35/90/861383590.db2.gz	XENXIIMBKJMXDR-BGYRXZFFSA-N	1	0	364.453	1.520	20	30		FDEDRO
N#CCNC(=O)CNC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1	ZINC000477936430	843458841	/nfs/dbraw/zinc/45/88/41/843458841.db2.gz	DWRDBWLKAHBGOU-UHFFFAOYSA-N	1	0	359.430	1.313	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)C[C@H](C)C(=O)NC)cc1	ZINC000478039012	843517780	/nfs/dbraw/zinc/51/77/80/843517780.db2.gz	WUWWNIMEVNKBKP-HNNXBMFYSA-N	1	0	360.458	1.646	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3[nH]cnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105667685	843681955	/nfs/dbraw/zinc/68/19/55/843681955.db2.gz	DBWGVBKAJZOPBI-IZBJGVDFSA-N	1	0	360.502	1.803	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cncn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105668570	843833771	/nfs/dbraw/zinc/83/37/71/843833771.db2.gz	LCGMUXFLQGTEMH-ZAWLATJESA-N	1	0	361.490	1.210	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NCC[N@@H+]2CCC(C)(C)C2)n1	ZINC000898593105	844905519	/nfs/dbraw/zinc/90/55/19/844905519.db2.gz	VORSMJATHQTFLC-UHFFFAOYSA-N	1	0	361.490	1.406	20	30		FDEDRO
C=C[C@@](C)(O)C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000667680156	845336082	/nfs/dbraw/zinc/33/60/82/845336082.db2.gz	ZBKWQAMPWVFYNC-YLJYHZDGSA-N	1	0	358.486	1.379	20	30		FDEDRO
C=C[C@@](C)(O)C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000667680153	845336360	/nfs/dbraw/zinc/33/63/60/845336360.db2.gz	ZBKWQAMPWVFYNC-FXAWDEMLSA-N	1	0	358.486	1.379	20	30		FDEDRO
C#CCN1C(=O)C[C@@H]([N@@H+]2CCC[C@H](C(=O)Nc3ccccc3OC)C2)C1=O	ZINC000899245750	845990875	/nfs/dbraw/zinc/99/08/75/845990875.db2.gz	VNHITNVCRYNMOB-GOEBONIOSA-N	1	0	369.421	1.106	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCSCC)C2	ZINC001112269963	846997785	/nfs/dbraw/zinc/99/77/85/846997785.db2.gz	SONNOPXAMZIHRH-YJBOKZPZSA-N	1	0	353.532	1.650	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4coc(C(N)=O)c4)[C@@H]3C2)c1	ZINC001076083813	847248848	/nfs/dbraw/zinc/24/88/48/847248848.db2.gz	SFGCHNUDXAQWQW-DOTOQJQBSA-N	1	0	364.405	1.597	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4csnn4)[C@@H]3C2)cc1	ZINC001076097532	847278824	/nfs/dbraw/zinc/27/88/24/847278824.db2.gz	NMJIBWKSRQQIJJ-WMLDXEAASA-N	1	0	369.450	1.787	20	30		FDEDRO
C[NH+]1C[C@@]2(C)CN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)C[C@]2(C)C1	ZINC000913290022	861810145	/nfs/dbraw/zinc/81/01/45/861810145.db2.gz	NCFKJJACJYCNDF-PMACEKPBSA-N	1	0	364.453	1.740	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CC[C@@H](C(N)=O)C4)[C@@H]3C2)cc1	ZINC001076249018	847659017	/nfs/dbraw/zinc/65/90/17/847659017.db2.gz	QKPLNCBMCAFRKP-YDZRNGNQSA-N	1	0	366.465	1.493	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C(C)C)n[nH]4)[C@@H]3C2)C1=O	ZINC001076271961	847745395	/nfs/dbraw/zinc/74/53/95/847745395.db2.gz	IIJDVMWJVCEOHG-BMGDILEWSA-N	1	0	371.485	1.466	20	30		FDEDRO
N#Cc1ccccc1CN1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1	ZINC001077444462	861825529	/nfs/dbraw/zinc/82/55/29/861825529.db2.gz	ZSSSLVAQRGNRLO-AQNXPRMDSA-N	1	0	368.481	1.094	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccnc(C)c4)[C@@H]3C2)C1=O	ZINC001076382015	847997835	/nfs/dbraw/zinc/99/78/35/847997835.db2.gz	YEHXGGFSJVKVMX-OKZBNKHCSA-N	1	0	354.454	1.323	20	30		FDEDRO
Cn1cccc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@H]32)c1=O	ZINC001076475010	848237844	/nfs/dbraw/zinc/23/78/44/848237844.db2.gz	WDZLHNJJTGUWOZ-SUMWQHHRSA-N	1	0	368.462	1.665	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN([C@@H](C)c4nnc(C)o4)C[C@H]32)cn1	ZINC001076477001	848242086	/nfs/dbraw/zinc/24/20/86/848242086.db2.gz	LMVIIQMPDYPISC-YLQAJVPDSA-N	1	0	351.410	1.662	20	30		FDEDRO
Cn1cncc1CCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001076517707	848315263	/nfs/dbraw/zinc/31/52/63/848315263.db2.gz	SQZLWRRDMSQSQM-AZUAARDMSA-N	1	0	363.465	1.957	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C	ZINC001076707038	848814813	/nfs/dbraw/zinc/81/48/13/848814813.db2.gz	JOOWLZDWXLUSDC-NXOAAHMSSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(N)=O)C1	ZINC001112537656	849006966	/nfs/dbraw/zinc/00/69/66/849006966.db2.gz	RLHPOSSHOAYQHX-UGSOOPFHSA-N	1	0	350.463	1.002	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)C[C@H]2O)c1	ZINC001076856046	849214826	/nfs/dbraw/zinc/21/48/26/849214826.db2.gz	YPQIQSPZOUUBLL-RTBURBONSA-N	1	0	350.422	1.739	20	30		FDEDRO
CC(C)c1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)cc1	ZINC001076856005	849215314	/nfs/dbraw/zinc/21/53/14/849215314.db2.gz	WNPOFJYGZWKRNI-RTBURBONSA-N	1	0	352.438	1.985	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCc4ccccc43)C[C@H]2O)[nH]1	ZINC001076898314	849282356	/nfs/dbraw/zinc/28/23/56/849282356.db2.gz	CSNGRCWJISUMNL-CDHQVMDDSA-N	1	0	364.449	1.781	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C3CC3)C[C@H]2O)c[nH]1	ZINC001076907092	849300606	/nfs/dbraw/zinc/30/06/06/849300606.db2.gz	AODOSVCQJDLXNA-RTBURBONSA-N	1	0	350.422	1.739	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC[C@H](C)NC(=O)[C@@H]2C[C@H]2C2CCC2)CC1	ZINC001076917850	849316187	/nfs/dbraw/zinc/31/61/87/849316187.db2.gz	YZISDUJKXFPEQB-ZYSHUDEJSA-N	1	0	359.514	1.779	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C	ZINC001076974283	849459121	/nfs/dbraw/zinc/45/91/21/849459121.db2.gz	PXCBXFMUFVIOSC-QAETUUGQSA-N	1	0	353.507	1.565	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)c(C)c2)C[C@H]1O	ZINC001077019216	849553598	/nfs/dbraw/zinc/55/35/98/849553598.db2.gz	NPNLDOXZKHTXRO-WTGUMLROSA-N	1	0	358.482	1.946	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)C3C=CC=CC=C3)C2)cc1F	ZINC001077073832	849691009	/nfs/dbraw/zinc/69/10/09/849691009.db2.gz	JSTTWGAMVWWJSD-RTBURBONSA-N	1	0	353.397	1.657	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(CC)c2)C[C@H]1O	ZINC001077158681	849953247	/nfs/dbraw/zinc/95/32/47/849953247.db2.gz	RRAPSYOAOJSRFF-HSALFYBXSA-N	1	0	355.482	1.008	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1O	ZINC001077281035	850387345	/nfs/dbraw/zinc/38/73/45/850387345.db2.gz	UOVNNLXPAURSHR-HSALFYBXSA-N	1	0	370.497	1.340	20	30		FDEDRO
COC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1	ZINC000904416926	851207507	/nfs/dbraw/zinc/20/75/07/851207507.db2.gz	UIAXSALKODXXQN-ZDUSSCGKSA-N	1	0	374.832	1.849	20	30		FDEDRO
N#Cc1ccc([C@H]2CN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CCO2)cc1	ZINC000904520329	851272771	/nfs/dbraw/zinc/27/27/71/851272771.db2.gz	QMEWMLPCWZYFAU-KGLIPLIRSA-N	1	0	356.348	1.921	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1	ZINC000904967007	851524623	/nfs/dbraw/zinc/52/46/23/851524623.db2.gz	UGVBUILRCQRPRV-ZYHUDNBSSA-N	1	0	374.388	1.174	20	30		FDEDRO
C=CCSCC[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1	ZINC000905069520	851653403	/nfs/dbraw/zinc/65/34/03/851653403.db2.gz	FDZQOLMMLGGEAH-CYBMUJFWSA-N	1	0	350.550	1.497	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([NH2+]C[C@@H](O)CC3(O)CCCC3)C2=O)cc1	ZINC000905204509	851747673	/nfs/dbraw/zinc/74/76/73/851747673.db2.gz	VSMUPSSLGIQYPO-ZWKOTPCHSA-N	1	0	357.454	1.699	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1	ZINC000905244795	851769325	/nfs/dbraw/zinc/76/93/25/851769325.db2.gz	SRJHNJRUUJLLMO-XHSDSOJGSA-N	1	0	374.547	1.559	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@H](O)CC1(O)CCC(C(=O)OCC)CC1	ZINC000905245932	851770223	/nfs/dbraw/zinc/77/02/23/851770223.db2.gz	ZCUXAFDBDLQVTD-MOXMWUHRSA-N	1	0	369.502	1.793	20	30		FDEDRO
N#Cc1sccc1N1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1	ZINC000905346123	851843105	/nfs/dbraw/zinc/84/31/05/851843105.db2.gz	POKSLENPOYUYLX-UHFFFAOYSA-N	1	0	354.501	1.071	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2	ZINC000913523987	862290055	/nfs/dbraw/zinc/29/00/55/862290055.db2.gz	UZSLSMFUBFOQLB-HNNXBMFYSA-N	1	0	365.474	1.084	20	30		FDEDRO
C=CC[C@@H](CO)[NH2+]C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2	ZINC000905356888	851855405	/nfs/dbraw/zinc/85/54/05/851855405.db2.gz	ITCBHRHLXIOWSH-HOTGVXAUSA-N	1	0	372.387	1.694	20	30		FDEDRO
CC(C)C[C@@H](C(=O)NCC#CC[NH+](C)C)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O	ZINC000913515000	862293521	/nfs/dbraw/zinc/29/35/21/862293521.db2.gz	DTMOMXAGDVCYSH-BBWFWOEESA-N	1	0	359.470	1.034	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1sccc1S(=O)(=O)N1CCCCC1	ZINC000913516030	862296442	/nfs/dbraw/zinc/29/64/42/862296442.db2.gz	XSEWAZQCXDNLKU-UHFFFAOYSA-N	1	0	369.512	1.218	20	30		FDEDRO
C#CC[C@@H](CCOC)[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1	ZINC000905398831	851904818	/nfs/dbraw/zinc/90/48/18/851904818.db2.gz	KHYQSKVQGOMHGB-GJZGRUSLSA-N	1	0	360.520	1.006	20	30		FDEDRO
COC1(C(=O)NCC#CC[NH+](C)C)CCN(C(=O)OC(C)(C)C)CC1	ZINC000913517044	862300500	/nfs/dbraw/zinc/30/05/00/862300500.db2.gz	PZZIESMBSAKTFI-UHFFFAOYSA-N	1	0	353.463	1.084	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H](O)Cc2ccc(F)cc2)cc1	ZINC000905476332	851950074	/nfs/dbraw/zinc/95/00/74/851950074.db2.gz	YBBZRTQHIFLXLP-QGZVFWFLSA-N	1	0	362.426	1.664	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[C@@H](O)[C@@H](O)CC2)c(OC)c1	ZINC000905465021	851964630	/nfs/dbraw/zinc/96/46/30/851964630.db2.gz	JLWWSBBNLLYUMH-ZJPYXAASSA-N	1	0	365.470	1.417	20	30		FDEDRO
CN1CC[N@H+](C)CC(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000905472178	851970104	/nfs/dbraw/zinc/97/01/04/851970104.db2.gz	SORUQMVBUZXKFU-LJQANCHMSA-N	1	0	373.476	1.028	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H](CO)CCc2ccccc2)c1	ZINC000905543498	852005184	/nfs/dbraw/zinc/00/51/84/852005184.db2.gz	OXGODIUSIQGQIS-SFHVURJKSA-N	1	0	358.463	1.915	20	30		FDEDRO
CN(C)[C@H](CC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C(F)(F)F	ZINC000905575660	852048999	/nfs/dbraw/zinc/04/89/99/852048999.db2.gz	JNFGOZQOIFBLNT-GFCCVEGCSA-N	1	0	364.393	1.199	20	30		FDEDRO
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C[C@H](O)c1ccc(C#N)cc1	ZINC000905654650	852122241	/nfs/dbraw/zinc/12/22/41/852122241.db2.gz	HHLKIKAMZYTQJG-IXDOHACOSA-N	1	0	361.442	1.816	20	30		FDEDRO
Cn1cc([C@@]2(C[NH2+]C[C@@H](O)COc3ccccc3C#N)CCCO2)cn1	ZINC000905685357	852176144	/nfs/dbraw/zinc/17/61/44/852176144.db2.gz	HBDXNJCFIRDKTD-MJGOQNOKSA-N	1	0	356.426	1.327	20	30		FDEDRO
N#CCOc1ccc(Cl)cc1Cn1cc(CN2CCC([NH3+])CC2)nn1	ZINC000905803096	852274421	/nfs/dbraw/zinc/27/44/21/852274421.db2.gz	DFRJANIGEBMKHR-UHFFFAOYSA-N	1	0	360.849	1.805	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH+]1CC2(C1)CCCN(C(=O)OC(C)(C)C)C2	ZINC000905978662	852512134	/nfs/dbraw/zinc/51/21/34/852512134.db2.gz	URVITZLLKYRKMI-MRXNPFEDSA-N	1	0	366.506	1.526	20	30		FDEDRO
CCc1cc(C(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@H]2O)c(C)nn1	ZINC001077445648	862399766	/nfs/dbraw/zinc/39/97/66/862399766.db2.gz	ZLHDALAYUBKNMC-RTBURBONSA-N	1	0	365.437	1.194	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1cccn(CC(F)(F)F)c1=O	ZINC000906414320	852877189	/nfs/dbraw/zinc/87/71/89/852877189.db2.gz	MMIQLAJYSXAOHW-UHFFFAOYSA-N	1	0	358.364	1.718	20	30		FDEDRO
C#CCN(C(=O)c1nn(-c2ccccc2)c(C)cc1=O)C1CC[NH+](C)CC1	ZINC000906452651	852902349	/nfs/dbraw/zinc/90/23/49/852902349.db2.gz	YHVFAFVSOSCREC-UHFFFAOYSA-N	1	0	364.449	1.711	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@]1(C#N)CC2CCC1CC2	ZINC000906504259	852972238	/nfs/dbraw/zinc/97/22/38/852972238.db2.gz	CYLRBZJPIAPMFN-CVVKJMNTSA-N	1	0	360.502	1.765	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc(C)c(C#N)c(C)c2)CC1	ZINC000906569853	853030134	/nfs/dbraw/zinc/03/01/34/853030134.db2.gz	WGTMBZNYEQBCJA-UHFFFAOYSA-N	1	0	356.470	1.801	20	30		FDEDRO
C#Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1	ZINC000907077521	853745912	/nfs/dbraw/zinc/74/59/12/853745912.db2.gz	AEOLSRZDDFDIJF-VQIMIIECSA-N	1	0	361.511	1.314	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2ccc(C#N)cn2)C[C@H]1[NH+]1CCCC1	ZINC000907135352	853846631	/nfs/dbraw/zinc/84/66/31/853846631.db2.gz	UUTNEDCFVDCUCP-KGLIPLIRSA-N	1	0	352.485	1.154	20	30		FDEDRO
C[NH+](C)CCCS(=O)(=O)N1CCC(Nc2ccccc2C#N)CC1	ZINC000907370437	854113427	/nfs/dbraw/zinc/11/34/27/854113427.db2.gz	UWSCNMMCSSTMSH-UHFFFAOYSA-N	1	0	350.488	1.716	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]1OC	ZINC001212148782	862561176	/nfs/dbraw/zinc/56/11/76/862561176.db2.gz	RQAXLBIWNVLWEX-RCCFBDPRSA-N	1	0	354.491	1.029	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1nnc(CC)s1	ZINC000908180483	855129910	/nfs/dbraw/zinc/12/99/10/855129910.db2.gz	JJLJZZKJWXHIGH-VXGBXAGGSA-N	1	0	353.492	1.688	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C	ZINC000908460469	855445679	/nfs/dbraw/zinc/44/56/79/855445679.db2.gz	UPNCLSBTIDQNQT-YOEHRIQHSA-N	1	0	367.519	1.424	20	30		FDEDRO
C[N@@H+]1CCN(C(=O)CCNC(=O)C2N=CC=CC2=O)CC12CCCCC2	ZINC000908574220	855588295	/nfs/dbraw/zinc/58/82/95/855588295.db2.gz	UKRGYGHUYKHARK-ISLYRVAYSA-N	1	0	360.458	1.380	20	30		FDEDRO
C=CCn1c(-c2ncnc3[nH]cnc32)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C	ZINC000908711553	855713883	/nfs/dbraw/zinc/71/38/83/855713883.db2.gz	DWPVVBCCJXMNFZ-OLZOCXBDSA-N	1	0	367.461	1.668	20	30		FDEDRO
C=CCn1c(-c2ncon2)nnc1N1CCC(C)([NH+]2CCOCC2)CC1	ZINC000908736169	855731401	/nfs/dbraw/zinc/73/14/01/855731401.db2.gz	DKABMSNWIAPPFC-UHFFFAOYSA-N	1	0	359.434	1.205	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCc2cc(C#N)ccn2)CC1=O	ZINC000909243526	856318732	/nfs/dbraw/zinc/31/87/32/856318732.db2.gz	GEKALTMDAJPBSS-NVXWUHKLSA-N	1	0	356.426	1.329	20	30		FDEDRO
CC(C)(C#N)c1ccc(C(=O)NCC(=O)NCC[NH+]2CCCCC2)cc1	ZINC000909316677	856399002	/nfs/dbraw/zinc/39/90/02/856399002.db2.gz	MBDUSXYOHBYEEN-UHFFFAOYSA-N	1	0	356.470	1.820	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C	ZINC000668820440	857083386	/nfs/dbraw/zinc/08/33/86/857083386.db2.gz	VFVMVLGUOBLBOJ-NXHRZFHOSA-N	1	0	353.507	1.711	20	30		FDEDRO
Cc1nc(N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)ccc1C#N	ZINC000488087800	857088812	/nfs/dbraw/zinc/08/88/12/857088812.db2.gz	LSKULHNJROLABE-SFHVURJKSA-N	1	0	351.454	1.963	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)Cc2cc(C#N)cs2)C[C@@H]1C	ZINC000910662100	857473892	/nfs/dbraw/zinc/47/38/92/857473892.db2.gz	HIKHRVVDIZOCNH-ZFWWWQNUSA-N	1	0	362.499	1.909	20	30		FDEDRO
C[C@@H]1C[C@@H](C)CN(C(=O)C(=O)N(c2ccc(C#N)cn2)[C@@H]2CCC[NH2+]C2)C1	ZINC000910858409	857787665	/nfs/dbraw/zinc/78/76/65/857787665.db2.gz	NPVCTKLIQOJQAV-BFYDXBDKSA-N	1	0	369.469	1.543	20	30		FDEDRO
C#CCN(C(=O)C(=O)N(C)Cc1ccc(F)cc1C)C1CC[NH+](C)CC1	ZINC000910882779	857832215	/nfs/dbraw/zinc/83/22/15/857832215.db2.gz	HTRSPWDBEULQJP-UHFFFAOYSA-N	1	0	359.445	1.649	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1	ZINC000911389712	858552872	/nfs/dbraw/zinc/55/28/72/858552872.db2.gz	GELUAWYIHQJLBI-MRXNPFEDSA-N	1	0	351.491	1.466	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])c1	ZINC000911404193	858593568	/nfs/dbraw/zinc/59/35/68/858593568.db2.gz	XPASQLQNMHDUOW-SFHVURJKSA-N	1	0	366.396	1.398	20	30		FDEDRO
C=CCCC1(CNC(=O)C(=O)NCCN2CCC([NH3+])CC2)CCCC1	ZINC000911412077	858599651	/nfs/dbraw/zinc/59/96/51/858599651.db2.gz	XVFZJISKUFSLGK-UHFFFAOYSA-N	1	0	350.507	1.169	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)NCc1ccc(CN2CC[NH2+]CC2)cc1	ZINC000911412083	858599822	/nfs/dbraw/zinc/59/98/22/858599822.db2.gz	XYUPREPPLVOZMT-UHFFFAOYSA-N	1	0	358.486	1.133	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)c3cccc4c3OCC[NH2+]C4)CC2)c1	ZINC000911637965	858842816	/nfs/dbraw/zinc/84/28/16/858842816.db2.gz	YRCUSZDEVCGTFS-UHFFFAOYSA-N	1	0	363.421	1.398	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1C	ZINC001106864634	881369146	/nfs/dbraw/zinc/36/91/46/881369146.db2.gz	UGBQHAWVVVNAIU-HZSPNIEDSA-N	1	0	357.445	1.797	20	30		FDEDRO
C#CC[NH2+]CC(=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1	ZINC000912364864	859680034	/nfs/dbraw/zinc/68/00/34/859680034.db2.gz	NKOKWKOURJGKGY-HNNXBMFYSA-N	1	0	367.371	1.708	20	30		FDEDRO
C=CCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1	ZINC000912495478	859806109	/nfs/dbraw/zinc/80/61/09/859806109.db2.gz	IXUKQVFVRYKOOB-MRXNPFEDSA-N	1	0	351.397	1.933	20	30		FDEDRO
COc1cc(CNC(NC(C)(C)C)=[NH+]CC2CC2)ccc1OCC(N)=O	ZINC000912505962	859831204	/nfs/dbraw/zinc/83/12/04/859831204.db2.gz	KSKFLKFOZNUFJX-UHFFFAOYSA-N	1	0	362.474	1.803	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CCN(c3cccc(OC)c3)C2)CC1	ZINC000916231283	881488233	/nfs/dbraw/zinc/48/82/33/881488233.db2.gz	PEVOXAMGBAJGOD-KRWDZBQOSA-N	1	0	370.497	1.918	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1C[C@@H]2COC[C@]2(C)C1	ZINC000669032869	860835539	/nfs/dbraw/zinc/83/55/39/860835539.db2.gz	XYCIZRBPICHJJO-JEWRLFTDSA-N	1	0	359.474	1.473	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@@H]2COC[C@H]2C1	ZINC000669032221	860842756	/nfs/dbraw/zinc/84/27/56/860842756.db2.gz	DKGHHASDNTUBAA-VQHPVUNQSA-N	1	0	359.474	1.473	20	30		FDEDRO
C=CCn1c(-c2cn(C)nn2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1	ZINC000669038443	860916348	/nfs/dbraw/zinc/91/63/48/860916348.db2.gz	MEIFKNGKZMXNKY-RHSMWYFYSA-N	1	0	368.489	1.713	20	30		FDEDRO
C=CCn1c(-c2cn(C)nn2)nnc1N1CC[N@H+](CCOC)[C@H](CCC)C1	ZINC000669038062	860916818	/nfs/dbraw/zinc/91/68/18/860916818.db2.gz	CMPXKDMCFDTKPV-OAHLLOKOSA-N	1	0	374.493	1.197	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)COCC)C[C@H]1C	ZINC001105792833	863216288	/nfs/dbraw/zinc/21/62/88/863216288.db2.gz	WNYMXVCOZQVHIN-IXDOHACOSA-N	1	0	353.507	1.520	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000249793194	863252965	/nfs/dbraw/zinc/25/29/65/863252965.db2.gz	VXNVOPKTVRYUON-SJORKVTESA-N	1	0	370.501	1.905	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CO[C@H]2CCOC2)C[C@H]1C(F)(F)F	ZINC001112101627	863300235	/nfs/dbraw/zinc/30/02/35/863300235.db2.gz	VBPOENYOFWYWTO-BFHYXJOUSA-N	1	0	350.381	1.737	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(Cl)c[nH]2)C[C@H]1C	ZINC001105819053	863372945	/nfs/dbraw/zinc/37/29/45/863372945.db2.gz	XWYHUCXGNRUZGL-FRRDWIJNSA-N	1	0	352.866	1.657	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]C[C@@H](O)c1ccccc1F	ZINC001105850494	863489118	/nfs/dbraw/zinc/48/91/18/863489118.db2.gz	PROUYQUJZFDYAM-CKEIUWERSA-N	1	0	365.474	1.800	20	30		FDEDRO
CCC(CC)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CCC#N)[C@H](C)C1	ZINC001105849524	863498687	/nfs/dbraw/zinc/49/86/87/863498687.db2.gz	YRRGTAMMDCNLOG-NVXWUHKLSA-N	1	0	350.507	1.869	20	30		FDEDRO
C=CCN1CC(=O)N(CCC[NH+]2CCN(c3ccc(OC)cc3)CC2)C1=O	ZINC000760950990	863529921	/nfs/dbraw/zinc/52/99/21/863529921.db2.gz	OGLZIVDDQKMMMZ-UHFFFAOYSA-N	1	0	372.469	1.658	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)OCC)C[C@H]1C	ZINC001105899616	863791212	/nfs/dbraw/zinc/79/12/12/863791212.db2.gz	NANLWHPNDJWEQY-KURKYZTESA-N	1	0	367.534	1.910	20	30		FDEDRO
N#Cc1cnccc1NC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]cn1	ZINC001060319575	863860537	/nfs/dbraw/zinc/86/05/37/863860537.db2.gz	ZNVLQZZENMPHBM-ARFHVFGLSA-N	1	0	350.426	1.695	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCOC3)C[C@H]2C)c1	ZINC001105908843	863910016	/nfs/dbraw/zinc/91/00/16/863910016.db2.gz	ABJUUEOGWITHIR-KBAYOESNSA-N	1	0	369.465	1.327	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CCN2CCCC2=O)[C@H](C)C1	ZINC001105910152	863919216	/nfs/dbraw/zinc/91/92/16/863919216.db2.gz	PTVVSTRBDPFWRU-IXDOHACOSA-N	1	0	351.491	1.274	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H](N[C@H](C)C(=O)NC)C2)CCC1	ZINC001112114254	863993753	/nfs/dbraw/zinc/99/37/53/863993753.db2.gz	HPSBAACPRZUPQY-JHJVBQTASA-N	1	0	359.392	1.293	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+]CCN2C(=O)c3ccccc3C2=O)[C@H](C)C1	ZINC001105929113	864064010	/nfs/dbraw/zinc/06/40/10/864064010.db2.gz	DTJUXNXACMIFND-HZPDHXFCSA-N	1	0	369.465	1.933	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC(C)(C)C)[C@H](C)C1	ZINC001105929433	864069275	/nfs/dbraw/zinc/06/92/75/864069275.db2.gz	PPCWCUISWRLVIT-ZIAGYGMSSA-N	1	0	352.479	1.261	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)COCC=C)C[C@H]2C)c1	ZINC001105941706	864150685	/nfs/dbraw/zinc/15/06/85/864150685.db2.gz	IRBNYCFZMRJZFM-SJLPKXTDSA-N	1	0	369.465	1.493	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCC2CCCCC2)[C@H](C)C1	ZINC001105946684	864191847	/nfs/dbraw/zinc/19/18/47/864191847.db2.gz	YPVDZKWBDSSNRB-JFIYKMOQSA-N	1	0	362.518	1.917	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC2CCCCC2)[C@H](C)C1	ZINC001105951777	864211643	/nfs/dbraw/zinc/21/16/43/864211643.db2.gz	LCUUVGAPFBDTGE-LZLYRXPVSA-N	1	0	362.518	1.869	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccc3c(c2)CCC3)[C@H](C)C1	ZINC001105951771	864212062	/nfs/dbraw/zinc/21/20/62/864212062.db2.gz	KXCQHYGZRLCTQW-IIDMSEBBSA-N	1	0	368.481	1.958	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CCC2)[C@H](C)C1	ZINC001105985459	864347605	/nfs/dbraw/zinc/34/76/05/864347605.db2.gz	LKAIAZYAMJFPQH-SJLPKXTDSA-N	1	0	365.518	1.570	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]CCCc2nc(C)no2)[C@H](C)C1	ZINC001105987569	864363928	/nfs/dbraw/zinc/36/39/28/864363928.db2.gz	KXICRGWEWQWGMG-NVXWUHKLSA-N	1	0	364.490	1.978	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C[C@H]1C	ZINC001105987990	864368892	/nfs/dbraw/zinc/36/88/92/864368892.db2.gz	WSFJXTOUIUKBJY-KLBVCGFUSA-N	1	0	359.514	1.917	20	30		FDEDRO
C[C@@H](c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1)n1cnc(C#N)n1	ZINC000349979019	864413926	/nfs/dbraw/zinc/41/39/26/864413926.db2.gz	FEYGEANMHJTZLL-LBPRGKRZSA-N	1	0	353.386	1.749	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(C)C)C1	ZINC001112291861	864416555	/nfs/dbraw/zinc/41/65/55/864416555.db2.gz	BUXVLXVLNQEFMD-LPHOPBHVSA-N	1	0	351.491	1.276	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc[nH]c2C)C[C@H]1C	ZINC001105993607	864419257	/nfs/dbraw/zinc/41/92/57/864419257.db2.gz	MRKMJFHTFICDMT-NVXWUHKLSA-N	1	0	358.486	1.821	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]CCCO[C@@H]1CCOC1	ZINC001106015579	864655051	/nfs/dbraw/zinc/65/50/51/864655051.db2.gz	HJPITRLDMAJLPW-BFYDXBDKSA-N	1	0	360.458	1.380	20	30		FDEDRO
CCC(CC)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC001106021478	864720106	/nfs/dbraw/zinc/72/01/06/864720106.db2.gz	XNMZNIAWTXPGJM-ZIAGYGMSSA-N	1	0	359.474	1.489	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+]CC[C@H]2CCS(=O)(=O)C2)[C@H](C)C1	ZINC001106026052	864815746	/nfs/dbraw/zinc/81/57/46/864815746.db2.gz	SWAAOEPYKSKGEQ-FGTMMUONSA-N	1	0	368.543	1.689	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@H]2CC[N@@H+](C)C2)cc1	ZINC001004871515	881804991	/nfs/dbraw/zinc/80/49/91/881804991.db2.gz	SSDPZDZDPGBCFF-AFYVEPGGSA-N	1	0	365.477	1.871	20	30		FDEDRO
CCN(CC)C(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC001106029508	864882961	/nfs/dbraw/zinc/88/29/61/864882961.db2.gz	VLPXSWUEFNQVJE-IJEWVQPXSA-N	1	0	359.474	1.441	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCO[C@@H](C)C2)[C@H](C)C1	ZINC001106029549	864884324	/nfs/dbraw/zinc/88/43/24/864884324.db2.gz	XOKBRWFAZMIJEX-FGTMMUONSA-N	1	0	363.502	1.111	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]CCOc2cccc(C)c2)[C@H](C)C1	ZINC001106034271	864911062	/nfs/dbraw/zinc/91/10/62/864911062.db2.gz	AXRJRZQAKNQSCD-QZTJIDSGSA-N	1	0	371.481	1.197	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC(C)CC2)[C@H](C)C1	ZINC001106059207	865069100	/nfs/dbraw/zinc/06/91/00/865069100.db2.gz	PCIDDPQUKZIWDH-MBOZVWFJSA-N	1	0	365.518	1.256	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCCCC2)[C@H](C)C1	ZINC001106059226	865069115	/nfs/dbraw/zinc/06/91/15/865069115.db2.gz	PSNQGZGAUNSLOR-JXXFODFXSA-N	1	0	365.518	1.447	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CCn2c(C)csc2=O)[C@H](C)C1	ZINC001106064500	865107470	/nfs/dbraw/zinc/10/74/70/865107470.db2.gz	AGCBLLVWNAYSGT-SIIHOXLZSA-N	1	0	367.515	1.229	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@@H](C)c2ccco2)[C@H](C)C1	ZINC001106065589	865116516	/nfs/dbraw/zinc/11/65/16/865116516.db2.gz	BOWHBMNCDSDSJS-IXDOHACOSA-N	1	0	359.470	1.944	20	30		FDEDRO
C[C@@H]1CN(C(=O)CON=C(N)c2ccccc2C[NH+]2CCCCC2)CCO1	ZINC000171233620	865162063	/nfs/dbraw/zinc/16/20/63/865162063.db2.gz	JWXBIFXMUHWWNG-MRXNPFEDSA-N	1	0	374.485	1.557	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCc2cnn(C)c2)[C@@H]1C	ZINC001088910775	865395493	/nfs/dbraw/zinc/39/54/93/865395493.db2.gz	GLQINGNTXAABNI-BVBHFADKSA-N	1	0	360.502	1.913	20	30		FDEDRO
CC[NH+]=C(NCCN1CCOCC1(C)C)N1CCN(c2ccccn2)CC1	ZINC000172259280	865544942	/nfs/dbraw/zinc/54/49/42/865544942.db2.gz	LABPMJCVSRGWLH-UHFFFAOYSA-N	1	0	374.533	1.280	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cccnn2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088935587	865558448	/nfs/dbraw/zinc/55/84/48/865558448.db2.gz	NCVONRSVAXQNSG-PBHICJAKSA-N	1	0	351.410	1.772	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H](F)CC2CCCCC2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106881527	881907702	/nfs/dbraw/zinc/90/77/02/881907702.db2.gz	FGTHJXNPKKAYIV-DJIMGWMZSA-N	1	0	366.481	1.619	20	30		FDEDRO
Cc1nnc(-c2cccc(C#N)c2)n1CN1CC[NH+](CC(C)(C)O)CC1	ZINC000172910612	865834749	/nfs/dbraw/zinc/83/47/49/865834749.db2.gz	BCRDLDBOOPXXHX-UHFFFAOYSA-N	1	0	354.458	1.471	20	30		FDEDRO
C=CCN1CC[C@@H](N2CC[C@H](NC(=O)c3ccc(Cl)cn3)[C@H]2C)C1=O	ZINC001088993988	865963350	/nfs/dbraw/zinc/96/33/50/865963350.db2.gz	MKPSEUNOSUBUPG-IVMMDQJWSA-N	1	0	362.861	1.715	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(C(=O)C[NH+]2CCC(C)CC2)C1	ZINC000991979255	866747603	/nfs/dbraw/zinc/74/76/03/866747603.db2.gz	GTXPRNSNBDMMJA-HKUYNNGSSA-N	1	0	363.502	1.417	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCC(=O)Nc2ccccc2C#N)C[C@H](C)[N@H+]1CCO	ZINC000456212633	866763221	/nfs/dbraw/zinc/76/32/21/866763221.db2.gz	PMZWNRMYJQFPHA-IYBDPMFKSA-N	1	0	372.469	1.581	20	30		FDEDRO
C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1=O	ZINC000456260117	866800564	/nfs/dbraw/zinc/80/05/64/866800564.db2.gz	FEWVQHHPSGCLNP-OAHLLOKOSA-N	1	0	370.409	1.151	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1	ZINC000992027883	867243883	/nfs/dbraw/zinc/24/38/83/867243883.db2.gz	JHLVTLJCSZSJBL-AOIWGVFYSA-N	1	0	363.502	1.558	20	30		FDEDRO
CCn1cc(CN2CCCN(C(=O)c3cc(C)c(C#N)cn3)CC2)cn1	ZINC000457547407	867552399	/nfs/dbraw/zinc/55/23/99/867552399.db2.gz	VULDKDBFTRFGJA-UHFFFAOYSA-N	1	0	352.442	1.826	20	30		FDEDRO
C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1	ZINC000669816584	867720383	/nfs/dbraw/zinc/72/03/83/867720383.db2.gz	HWWIRPYTYBRFLR-AWEZNQCLSA-N	1	0	355.446	1.642	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC2(F)F)C[C@H]1C	ZINC001106090048	867923627	/nfs/dbraw/zinc/92/36/27/867923627.db2.gz	ZQWHACZMTHOVAV-RBSFLKMASA-N	1	0	357.445	1.750	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1	ZINC000459968483	867945281	/nfs/dbraw/zinc/94/52/81/867945281.db2.gz	HILGYIIRUXHDGX-ZWKOTPCHSA-N	1	0	354.454	1.459	20	30		FDEDRO
C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCc1ccc(OCC#N)cc1	ZINC000174659962	867958942	/nfs/dbraw/zinc/95/89/42/867958942.db2.gz	CKLQAVVAWLKOPO-SFHVURJKSA-N	1	0	360.458	1.841	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(Cc3c(C)noc3CC)C[C@H]2O)cc1	ZINC001077493687	867960495	/nfs/dbraw/zinc/96/04/95/867960495.db2.gz	GJPVFYGYGBDCIV-QZTJIDSGSA-N	1	0	353.422	1.502	20	30		FDEDRO
CCOc1cccc(CNC(=O)CON=C(N)C[N@@H+]2CCCC[C@@H]2C)c1	ZINC000151531710	867982929	/nfs/dbraw/zinc/98/29/29/867982929.db2.gz	LWYHWOMJIXHHSX-HNNXBMFYSA-N	1	0	362.474	1.865	20	30		FDEDRO
COCc1ccccc1CNC(=O)CON=C(N)C[N@@H+]1CCCC[C@@H]1C	ZINC000151535738	868007659	/nfs/dbraw/zinc/00/76/59/868007659.db2.gz	FUXHPCOFHXPMFT-HNNXBMFYSA-N	1	0	362.474	1.612	20	30		FDEDRO
C#CCCCCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001061621455	882146502	/nfs/dbraw/zinc/14/65/02/882146502.db2.gz	WESYKBUGLFXKET-FGTMMUONSA-N	1	0	363.502	1.254	20	30		FDEDRO
COc1ccccc1NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1C	ZINC001106099919	868067572	/nfs/dbraw/zinc/06/75/72/868067572.db2.gz	SKCHFFIVAQORBN-IAGOWNOFSA-N	1	0	371.481	1.977	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)N2CCC(C)CC2)[C@H](C)C1	ZINC001106105580	868141658	/nfs/dbraw/zinc/14/16/58/868141658.db2.gz	YNEFWRYNGVZTFH-GUDVDZBRSA-N	1	0	361.530	1.977	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@@](C(=O)OC)(c2ccccc2)C1	ZINC000428804080	868302879	/nfs/dbraw/zinc/30/28/79/868302879.db2.gz	SPYCWMVNSDERTF-JXFKEZNVSA-N	1	0	357.454	1.811	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C[NH2+]Cc1nnc2n1CCCC2	ZINC001106109891	868312955	/nfs/dbraw/zinc/31/29/55/868312955.db2.gz	ZKQUVFPHDAQXSL-HZPDHXFCSA-N	1	0	357.502	1.848	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCC(C)(C)C)[C@H](C)C1	ZINC001106110781	868380151	/nfs/dbraw/zinc/38/01/51/868380151.db2.gz	DQGOOXIRTLTYQM-BRWVUGGUSA-N	1	0	365.518	1.261	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cccc(NC(C)=O)c2)[C@H](C)C1	ZINC001106111104	868380434	/nfs/dbraw/zinc/38/04/34/868380434.db2.gz	HKZQLPYVIJYOIP-JTDSTZFVSA-N	1	0	371.481	1.867	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nc(C(F)F)no2)[C@H](C)C1	ZINC001106111228	868388009	/nfs/dbraw/zinc/38/80/09/868388009.db2.gz	JFGOUSBDAKUVBW-IJLUTSLNSA-N	1	0	356.373	1.230	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cc(C#N)ccc2F)[C@H](C)C1	ZINC001106111463	868389112	/nfs/dbraw/zinc/38/91/12/868389112.db2.gz	MTTFCWBWUHEFQS-RVKKMQEKSA-N	1	0	357.429	1.920	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1	ZINC000994321018	882186100	/nfs/dbraw/zinc/18/61/00/882186100.db2.gz	WVCUYIZSTQGJKU-JFIYKMOQSA-N	1	0	370.497	1.775	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+][C@H]2CCN(C(C)(C)C)C2=O)[C@H](C)C1	ZINC001106114545	868496362	/nfs/dbraw/zinc/49/63/62/868496362.db2.gz	BMAHUIQJBXNKRX-ZACQAIPSSA-N	1	0	363.502	1.110	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)(C)CC)[C@H](C)C1	ZINC001106114691	868506518	/nfs/dbraw/zinc/50/65/18/868506518.db2.gz	GBXXNLAONAGPOH-HZPDHXFCSA-N	1	0	351.491	1.015	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1cc(C)ncn1)CC2	ZINC000992237921	868537849	/nfs/dbraw/zinc/53/78/49/868537849.db2.gz	BLVYZOZEPHGRRF-AJYBTWMASA-N	1	0	356.470	1.989	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@H+](CCN1CCCC1=O)CC2	ZINC000992242725	868561565	/nfs/dbraw/zinc/56/15/65/868561565.db2.gz	SHJBOXFPGFYONN-YLAKUSLOSA-N	1	0	361.486	1.313	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2cn(C(C)C)nc2C)[C@H](C)C1	ZINC001106116369	868572707	/nfs/dbraw/zinc/57/27/07/868572707.db2.gz	BLYPWVUKLAWIEL-SJLPKXTDSA-N	1	0	360.502	1.996	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(CC)CC)[C@H](C)C1	ZINC001106116762	868575530	/nfs/dbraw/zinc/57/55/30/868575530.db2.gz	MWBVGJLTGYPEOM-BZUAXINKSA-N	1	0	351.491	1.014	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C3CC3)s2)[C@H](C)C1	ZINC001106116635	868578784	/nfs/dbraw/zinc/57/87/84/868578784.db2.gz	JDLUYUCDEKNWPA-VNHYZAJKSA-N	1	0	362.499	1.638	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CCCC2CCOCC2)[C@H](C)C1	ZINC001106116969	868583138	/nfs/dbraw/zinc/58/31/38/868583138.db2.gz	VFVMFBKPYMEGER-ZHALLVOQSA-N	1	0	350.503	1.916	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+][C@H](C)c2nc(C3CC3)no2)[C@H](C)C1	ZINC001106117345	868593622	/nfs/dbraw/zinc/59/36/22/868593622.db2.gz	NCNDHZRVRIEGPM-IIAWOOMASA-N	1	0	360.458	1.732	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)c2ccccc2F)[C@H](C)C1	ZINC001106117443	868598346	/nfs/dbraw/zinc/59/83/46/868598346.db2.gz	PXJSINADTLGNNC-GPMSIDNRSA-N	1	0	362.445	1.583	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC2CC(CNC(=O)[C@]34C[C@H]3CCC4)C2)CC1	ZINC000992283933	868792957	/nfs/dbraw/zinc/79/29/57/868792957.db2.gz	QJAOABSBKOFQPL-OYMMLTSBSA-N	1	0	357.498	1.533	20	30		FDEDRO
C=CCCOCCCCC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COC)[C@H](C)C1	ZINC001106122883	868879663	/nfs/dbraw/zinc/87/96/63/868879663.db2.gz	HFGKQWDMMHIPOC-KZNAEPCWSA-N	1	0	356.507	1.441	20	30		FDEDRO
C=CC[N@H+](CCC(=O)N1CCN(c2ncccn2)CC1)CCc1ccco1	ZINC000491424162	869280083	/nfs/dbraw/zinc/28/00/83/869280083.db2.gz	RXLMECAEGBEZAY-UHFFFAOYSA-N	1	0	369.469	1.839	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC(NC(=O)CC2CC[NH+](C)CC2)C1	ZINC000992418401	869294573	/nfs/dbraw/zinc/29/45/73/869294573.db2.gz	VPYGUTFUDSKMOO-HIEASXQVSA-N	1	0	363.502	1.320	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCCNC(=O)N2C[C@H](C)N(CC#N)[C@@H](C)C2)C[C@H](C)O1	ZINC000913988200	870240816	/nfs/dbraw/zinc/24/08/16/870240816.db2.gz	GYBHCFWPQBWYJP-LUKYLMHMSA-N	1	0	351.495	1.113	20	30		FDEDRO
Cc1ccc(CNC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cc1C#N	ZINC000913998403	870292205	/nfs/dbraw/zinc/29/22/05/870292205.db2.gz	LRUXKVKBHLDCBG-IBGZPJMESA-N	1	0	357.502	1.938	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC2CCN(C(=O)c3ccoc3)CC2)CC1	ZINC000914001291	870323754	/nfs/dbraw/zinc/32/37/54/870323754.db2.gz	URNONOLGGPMNQM-UHFFFAOYSA-N	1	0	358.442	1.281	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)c4ccoc4)C[C@]3(C)C2)CC1	ZINC000992598571	870622551	/nfs/dbraw/zinc/62/25/51/870622551.db2.gz	IVNWKZDTURDBNE-NQIIRXRSSA-N	1	0	369.465	1.545	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc3c(c2)nnn3C)C1	ZINC001033432561	882471509	/nfs/dbraw/zinc/47/15/09/882471509.db2.gz	PINACGPOBNOUGF-MDZRGWNJSA-N	1	0	369.469	1.592	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2C)cn1	ZINC000994385701	882489672	/nfs/dbraw/zinc/48/96/72/882489672.db2.gz	GEYSUTNBXHFUJA-SUMDDJOVSA-N	1	0	370.497	1.473	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2OCC[C@H]2C(C)C)C[C@H]1C	ZINC001106143526	871369730	/nfs/dbraw/zinc/36/97/30/871369730.db2.gz	DWKCYJZKJOBHDV-CBZIJGRNSA-N	1	0	351.491	1.034	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccn(C(F)F)n2)C[C@H]1C	ZINC001106179279	871631719	/nfs/dbraw/zinc/63/17/19/871631719.db2.gz	NHLAYDSUZWRJPR-JHJVBQTASA-N	1	0	369.416	1.267	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cnc4n3CCOC4)C2=O)cc1	ZINC000922055755	871636901	/nfs/dbraw/zinc/63/69/01/871636901.db2.gz	WUMATJKQAZTQQH-KRWDZBQOSA-N	1	0	351.410	1.176	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)CC4CCC4)C[C@]3(C)C2)CC1	ZINC000992743667	871764833	/nfs/dbraw/zinc/76/48/33/871764833.db2.gz	ZSQWHQNRUYWYGF-SIKLNZKXSA-N	1	0	371.525	1.829	20	30		FDEDRO
C=C1CC(C)(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[NH+]4CCC2CC4)C3)C1	ZINC001002947543	871955717	/nfs/dbraw/zinc/95/57/17/871955717.db2.gz	IDXWZVIPDLVDRV-TVFCKZIOSA-N	1	0	357.498	1.933	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ncn(Cc3cccc(F)c3)n2)CC1	ZINC000922116007	872140779	/nfs/dbraw/zinc/14/07/79/872140779.db2.gz	JFSVSWNHSKGSKO-UHFFFAOYSA-N	1	0	370.432	1.362	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)Cc1csc(C#N)c1	ZINC000914275366	872158673	/nfs/dbraw/zinc/15/86/73/872158673.db2.gz	NVCVXFWOYOAFMV-KBMXLJTQSA-N	1	0	369.512	1.633	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001033490722	882619227	/nfs/dbraw/zinc/61/92/27/882619227.db2.gz	VLRNZZMFDYMCOO-JENIJYKNSA-N	1	0	356.470	1.710	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCc2cnn(C)c2)C1	ZINC001033497130	882626020	/nfs/dbraw/zinc/62/60/20/882626020.db2.gz	SNMPAOHVHNNXMO-FHWLQOOXSA-N	1	0	360.502	1.867	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)Cc2csc(C#N)c2)C[C@H]1[NH+]1CCCC1	ZINC000914391120	872700182	/nfs/dbraw/zinc/70/01/82/872700182.db2.gz	RBZMQNKJJUZDRO-CABCVRRESA-N	1	0	371.553	1.961	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCN1C(=O)C1CC1)C2	ZINC001112541707	872807576	/nfs/dbraw/zinc/80/75/76/872807576.db2.gz	KORLVEGDXHRDKX-WFXMLNOXSA-N	1	0	357.498	1.629	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NCCCOC)[C@H](C)C1	ZINC001106181189	873019287	/nfs/dbraw/zinc/01/92/87/873019287.db2.gz	KJRGMEKZSOMBCJ-IXDOHACOSA-N	1	0	367.534	1.814	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]C[C@@H](CC)OC)C2)nn1	ZINC001112541943	873079715	/nfs/dbraw/zinc/07/97/15/873079715.db2.gz	XIXLHJCVYFGGGX-FCEWJHQRSA-N	1	0	361.490	1.721	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]3(C)C2)CC1	ZINC000992890794	873117395	/nfs/dbraw/zinc/11/73/95/873117395.db2.gz	RDTWSACAGFYAPT-SIKLNZKXSA-N	1	0	371.525	1.827	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2c3c(nn2C)CCCC3)C[C@H]1C	ZINC001106185731	873178131	/nfs/dbraw/zinc/17/81/31/873178131.db2.gz	ZGFSKSVRCAFEMA-HZPDHXFCSA-N	1	0	360.502	1.799	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cnc3cc[nH]cc-3c2=O)C[C@H]1C	ZINC001106187490	873190699	/nfs/dbraw/zinc/19/06/99/873190699.db2.gz	NGQHHLWSQCHOAP-DGCLKSJQSA-N	1	0	360.845	1.973	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(C#N)c1	ZINC001003367496	873224261	/nfs/dbraw/zinc/22/42/61/873224261.db2.gz	GMDYLDZFJSDIKT-ZJPYXAASSA-N	1	0	369.469	1.622	20	30		FDEDRO
Cc1cccc(C)c1CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106189954	873241003	/nfs/dbraw/zinc/24/10/03/873241003.db2.gz	LSYGHXVZJJXRBB-IAGOWNOFSA-N	1	0	356.470	1.170	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccnn2CC(C)C)C[C@H]1C	ZINC001106190665	873242705	/nfs/dbraw/zinc/24/27/05/873242705.db2.gz	SYALLNONBYRWLW-HZPDHXFCSA-N	1	0	361.490	1.139	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccns2)C[C@H]1C	ZINC001106194172	873272384	/nfs/dbraw/zinc/27/23/84/873272384.db2.gz	AFGAWCBSBPZBNG-HUUCEWRRSA-N	1	0	364.515	1.865	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)[C@@H](O)C1	ZINC001083717612	873301796	/nfs/dbraw/zinc/30/17/96/873301796.db2.gz	FWMWNBIRSONMFI-XHSDSOJGSA-N	1	0	351.491	1.151	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@]3(C)C2)nc1	ZINC000992947368	873355997	/nfs/dbraw/zinc/35/59/97/873355997.db2.gz	KBBWZBKOFJXCQT-LAUBAEHRSA-N	1	0	366.465	1.079	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1	ZINC000992957635	873379576	/nfs/dbraw/zinc/37/95/76/873379576.db2.gz	CZWXVGHMNDOEBX-XGHQBKJUSA-N	1	0	359.514	1.847	20	30		FDEDRO
CCN1C[C@@H](C(=O)N2C[C@@H](C[NH2+]CC#Cc3ccccc3)[C@H](C)C2)CC1=O	ZINC001106200792	873646709	/nfs/dbraw/zinc/64/67/09/873646709.db2.gz	OLYNMHREAABLJQ-YZGWKJHDSA-N	1	0	367.493	1.591	20	30		FDEDRO
C[C@@H]1CN(C(=O)CN(C)C(=O)C2CC2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001106205648	873704799	/nfs/dbraw/zinc/70/47/99/873704799.db2.gz	UKFBFUMJTXPFPF-DNVCBOLYSA-N	1	0	368.481	1.611	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)C(=O)N2CCCCC2)CC1	ZINC001003655620	873944371	/nfs/dbraw/zinc/94/43/71/873944371.db2.gz	JAVKMFPZPVSWQN-NXHRZFHOSA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cc3n(n2)CCC3)C1	ZINC001112349131	873949235	/nfs/dbraw/zinc/94/92/35/873949235.db2.gz	RUPOXMSJZIACDB-FIKGOQFSSA-N	1	0	370.497	1.586	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C(F)F)nc2)C[C@H]1C	ZINC001106226838	873987046	/nfs/dbraw/zinc/98/70/46/873987046.db2.gz	GJRJWWPFBRLGTO-TZMCWYRMSA-N	1	0	366.412	1.619	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2[nH]ccc2C2CC2)C[C@H]1C	ZINC001106229245	874010859	/nfs/dbraw/zinc/01/08/59/874010859.db2.gz	MCUBBMFFJNVWHE-IJEWVQPXSA-N	1	0	358.486	1.881	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3nocc3C)[C@H](C)C2)CCOCC1	ZINC001106234982	874045882	/nfs/dbraw/zinc/04/58/82/874045882.db2.gz	GOVSOSFRAOUXIW-NVXWUHKLSA-N	1	0	359.470	1.987	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(C)nc2)[C@@H](n2ccnn2)C1	ZINC001128700931	882796742	/nfs/dbraw/zinc/79/67/42/882796742.db2.gz	NPTKCVBIXPMZAL-JQHSSLGASA-N	1	0	354.458	1.992	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cncn2-c2ccccc2)C[C@H]1C	ZINC001106251465	874150260	/nfs/dbraw/zinc/15/02/60/874150260.db2.gz	FAABOLDLEGJASF-QZTJIDSGSA-N	1	0	366.465	1.820	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cccn3)cc2)C[C@H]1C	ZINC001106251539	874150305	/nfs/dbraw/zinc/15/03/05/874150305.db2.gz	IFRBFSFKBBSCJF-IEBWSBKVSA-N	1	0	366.465	1.820	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(F)ccc2F)C[C@H]1C	ZINC001106255314	874166910	/nfs/dbraw/zinc/16/69/10/874166910.db2.gz	LSVXCEALPGDYJB-HZSPNIEDSA-N	1	0	363.408	1.400	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc(CC)n2)C[C@H]1C	ZINC001106259637	874202581	/nfs/dbraw/zinc/20/25/81/874202581.db2.gz	UOSOQIYKVWBSKK-OWCLPIDISA-N	1	0	356.470	1.080	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1C	ZINC001106266349	874260071	/nfs/dbraw/zinc/26/00/71/874260071.db2.gz	FBIZESKUCSBVFO-KFWWJZLASA-N	1	0	350.463	1.015	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C[C@H]1C	ZINC001106268793	874277921	/nfs/dbraw/zinc/27/79/21/874277921.db2.gz	YWMVNQAVNCRTBN-MKXGPGLRSA-N	1	0	359.514	1.875	20	30		FDEDRO
Cc1cc(F)c(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)cc1F	ZINC001106283735	874436351	/nfs/dbraw/zinc/43/63/51/874436351.db2.gz	YBWLWUMAXAHHEP-CHWSQXEVSA-N	1	0	364.396	1.211	20	30		FDEDRO
c1cn(-c2ccc(N=NC3CCOC[C@H]3C[NH+]3CCCCC3)nn2)cn1	ZINC000761861000	874726656	/nfs/dbraw/zinc/72/66/56/874726656.db2.gz	ROYDKOFHTKKWSD-OAHLLOKOSA-N	1	0	355.446	1.953	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@H]1C	ZINC001106316086	874757672	/nfs/dbraw/zinc/75/76/72/874757672.db2.gz	CHWDLLZPCRFRQB-GDBMZVCRSA-N	1	0	354.516	1.462	20	30		FDEDRO
C[NH+](C)CCn1cc(NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cn1	ZINC000761881725	874763455	/nfs/dbraw/zinc/76/34/55/874763455.db2.gz	SAKBCLCJSQSHQL-GOSISDBHSA-N	1	0	368.441	1.922	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)Cn2nnc(-c3ccco3)n2)C[C@H]1C	ZINC001106357549	874895715	/nfs/dbraw/zinc/89/57/15/874895715.db2.gz	DHNNBGBFVAGAHQ-DGCLKSJQSA-N	1	0	364.837	1.370	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc3cnccc3o2)C[C@H]1C	ZINC001106378161	874989258	/nfs/dbraw/zinc/98/92/58/874989258.db2.gz	IFEMNXWNKYQYTK-IIAWOOMASA-N	1	0	368.437	1.263	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccnc(C3CC3)c2)C[C@H]1C	ZINC001106379132	874992693	/nfs/dbraw/zinc/99/26/93/874992693.db2.gz	ABMORZBRQPEXRO-IIDMSEBBSA-N	1	0	370.497	1.947	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc(COC)c2)C[C@H]1C	ZINC001106387005	875022296	/nfs/dbraw/zinc/02/22/96/875022296.db2.gz	SZGPGRDJJURBDY-GPMSIDNRSA-N	1	0	371.481	1.269	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(=O)n(CCOC)n2)C[C@H]1C	ZINC001106396265	875066448	/nfs/dbraw/zinc/06/64/48/875066448.db2.gz	JGSXXQMBDRQGCI-HZPDHXFCSA-N	1	0	362.474	1.154	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](NC(C)=O)C2CCCC2)C[C@H]1C	ZINC001106403048	875128602	/nfs/dbraw/zinc/12/86/02/875128602.db2.gz	MOOYYPPLIQRCNJ-ATZDWAIDSA-N	1	0	363.502	1.015	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106455411	875400383	/nfs/dbraw/zinc/40/03/83/875400383.db2.gz	RYWBTFQEYCNGEN-SJLPKXTDSA-N	1	0	364.449	1.130	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cnnn3)cn2)C[C@H]1C	ZINC001106468316	875532358	/nfs/dbraw/zinc/53/23/58/875532358.db2.gz	LBRFVFWWNLIKNA-HUUCEWRRSA-N	1	0	355.446	1.321	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C3CC3)on2)C[C@H]1C	ZINC001106492457	875693814	/nfs/dbraw/zinc/69/38/14/875693814.db2.gz	WHPYTHXCTJLGIX-UMVBOHGHSA-N	1	0	360.458	1.540	20	30		FDEDRO
C#CCN(C(=O)NCc1ccccc1N1CCOCC1)C1CC[NH+](C)CC1	ZINC000915200156	875723574	/nfs/dbraw/zinc/72/35/74/875723574.db2.gz	XDDLNSQTVCMMAP-UHFFFAOYSA-N	1	0	370.497	1.762	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCc3ccnn3C)[C@H](C)C2)cc1	ZINC001106512229	875799888	/nfs/dbraw/zinc/79/98/88/875799888.db2.gz	GGFTVBAKXZZMHH-VQIMIIECSA-N	1	0	350.466	1.942	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(OC)ccn2)C[C@H]1C	ZINC001106512671	875800058	/nfs/dbraw/zinc/80/00/58/875800058.db2.gz	RBCCLJGSJPWVMS-QLFBSQMISA-N	1	0	360.458	1.079	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCOCC2)[C@H](C)C1	ZINC001106517472	875812106	/nfs/dbraw/zinc/81/21/06/875812106.db2.gz	GMPZFNDLTDKPFF-HZPDHXFCSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCO[C@@H](C)C2)[C@H](C)C1	ZINC001106528569	875848627	/nfs/dbraw/zinc/84/86/27/875848627.db2.gz	FAYJHLLJQWKGTE-OWCLPIDISA-N	1	0	351.491	1.130	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CCC#N)[C@H](C)C1	ZINC001106557890	875949633	/nfs/dbraw/zinc/94/96/33/875949633.db2.gz	JPKHFNHBJYEKEZ-QZTJIDSGSA-N	1	0	360.502	1.626	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCC2CC2)C[C@H]1C	ZINC001106560277	875969251	/nfs/dbraw/zinc/96/92/51/875969251.db2.gz	MDAIXMGYHHTXLI-GDBMZVCRSA-N	1	0	364.490	1.263	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NCC)[C@H](C)C1	ZINC001106567250	875976168	/nfs/dbraw/zinc/97/61/68/875976168.db2.gz	AZGCVYVVINQUNO-RBSFLKMASA-N	1	0	352.479	1.119	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCOCC)[C@H](C)C1	ZINC001106567939	875978260	/nfs/dbraw/zinc/97/82/60/875978260.db2.gz	XZXGVTLVDIYTLE-IXDOHACOSA-N	1	0	353.507	1.426	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1C	ZINC001106575440	876003836	/nfs/dbraw/zinc/00/38/36/876003836.db2.gz	DURJNHXHKOQNAK-HZSPNIEDSA-N	1	0	357.445	1.797	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2occc2C(C)C)C[C@H]1C	ZINC001106575808	876007715	/nfs/dbraw/zinc/00/77/15/876007715.db2.gz	NRLXGFMGVOMMPP-BZUAXINKSA-N	1	0	359.470	1.839	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C	ZINC001106611921	876197083	/nfs/dbraw/zinc/19/70/83/876197083.db2.gz	HKCUSZMFXDNHAW-HZPDHXFCSA-N	1	0	361.552	1.710	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc3nonc3c2)C[C@H]1C	ZINC001106614290	876208598	/nfs/dbraw/zinc/20/85/98/876208598.db2.gz	DPFQHFDQVQVRMW-VNHYZAJKSA-N	1	0	371.441	1.211	20	30		FDEDRO
c1ccc(C[N@@H+]2CCC(N=Nc3nccc(N4CCOCC4)n3)C2)cc1	ZINC000762600347	876212440	/nfs/dbraw/zinc/21/24/40/876212440.db2.gz	NNBCZLZNNVQWHM-UHFFFAOYSA-N	1	0	352.442	1.987	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2cc(C)cc(C)c2)C[C@H]1C	ZINC001106617443	876228895	/nfs/dbraw/zinc/22/88/95/876228895.db2.gz	MXUOCTNRDLXJGC-WSTZPKSXSA-N	1	0	369.509	1.668	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2occc2Cl)C[C@H]1C	ZINC001106634958	876299131	/nfs/dbraw/zinc/29/91/31/876299131.db2.gz	RBRBFMNZJOLTIB-JHJVBQTASA-N	1	0	351.834	1.369	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]CCOCCNC(C)=O)[C@H](C)C2)CCC1	ZINC001106635747	876317076	/nfs/dbraw/zinc/31/70/76/876317076.db2.gz	BCWSKOLOKCSIRF-SJLPKXTDSA-N	1	0	365.518	1.570	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CC(C)(F)F)C[C@H]1C	ZINC001106637120	876328569	/nfs/dbraw/zinc/32/85/69/876328569.db2.gz	ZLRUEFLIFTYIEN-HUUCEWRRSA-N	1	0	357.445	1.916	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(Cl)[nH]2)C[C@H]1C	ZINC001106644650	876353611	/nfs/dbraw/zinc/35/36/11/876353611.db2.gz	YCVLBWRSFBEHCS-JHJVBQTASA-N	1	0	352.866	1.657	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]CCCS(=O)(=O)N(C)C)[C@H](C)C2)C1	ZINC001106648620	876367443	/nfs/dbraw/zinc/36/74/43/876367443.db2.gz	MWAROEUXCFVXIN-HZPDHXFCSA-N	1	0	371.547	1.308	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)CCO3)C[C@H]1C	ZINC001106689847	876581090	/nfs/dbraw/zinc/58/10/90/876581090.db2.gz	PXJHEGRKOATMPZ-IIDMSEBBSA-N	1	0	371.481	1.610	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C=C)cc2)C[C@H]1C	ZINC001106690031	876582774	/nfs/dbraw/zinc/58/27/74/876582774.db2.gz	CLMLPKQGFOYOLF-GPMSIDNRSA-N	1	0	353.466	1.765	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnn(CCC)c2)C[C@H]1C	ZINC001106715345	876938710	/nfs/dbraw/zinc/93/87/10/876938710.db2.gz	WDABAPIPICLWFQ-OWCLPIDISA-N	1	0	361.490	1.282	20	30		FDEDRO
C[C@@H]1CN(C(=O)COC[C@H]2CCOC2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001106724712	876979074	/nfs/dbraw/zinc/97/90/74/876979074.db2.gz	RVVIYJIVMAXOSE-LSTHTHJFSA-N	1	0	371.481	1.795	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2nc(C)ncc2Cl)C[C@H]1C	ZINC001106731444	877237650	/nfs/dbraw/zinc/23/76/50/877237650.db2.gz	REDMINURKZIQSC-TZMCWYRMSA-N	1	0	350.850	1.386	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21	ZINC000272399715	877290535	/nfs/dbraw/zinc/29/05/35/877290535.db2.gz	ZFCDANTXLQWSEF-GOEBONIOSA-N	1	0	356.426	1.448	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]C[C@H](OCC)C3CC3)[C@H](C)C2)nn1	ZINC001106743393	877426073	/nfs/dbraw/zinc/42/60/73/877426073.db2.gz	JJMKXGXXRKTTIM-KYJSFNMBSA-N	1	0	361.490	1.577	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]CCO[C@H]3CC3(F)F)[C@H](C)C2)nn1	ZINC001106743486	877426192	/nfs/dbraw/zinc/42/61/92/877426192.db2.gz	NELXQOILMWHLBP-NFAWXSAZSA-N	1	0	369.416	1.186	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]CC[C@@H]3CCCCO3)[C@H](C)C2)nn1	ZINC001106743193	877439044	/nfs/dbraw/zinc/43/90/44/877439044.db2.gz	BXOVZOUOVJREDI-ZACQAIPSSA-N	1	0	361.490	1.721	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1	ZINC001106748750	877465259	/nfs/dbraw/zinc/46/52/59/877465259.db2.gz	NDOGFYONRXSWHB-BDXSIMOUSA-N	1	0	354.491	1.051	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1	ZINC001106748959	877465426	/nfs/dbraw/zinc/46/54/26/877465426.db2.gz	UAOKHTFDKSPLMO-CBZIJGRNSA-N	1	0	351.491	1.130	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2ccccc2COC)C[C@H]1C	ZINC001106751694	877533095	/nfs/dbraw/zinc/53/30/95/877533095.db2.gz	MIVIKAVUIJACEZ-YLJYHZDGSA-N	1	0	358.482	1.709	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cnnc3)cc2)C[C@H]1C	ZINC001106765279	877634576	/nfs/dbraw/zinc/63/45/76/877634576.db2.gz	VKGLSFNMOYZJMN-SJLPKXTDSA-N	1	0	369.469	1.768	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(F)F)cc2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106767905	877653064	/nfs/dbraw/zinc/65/30/64/877653064.db2.gz	ZJGHPTPLHVPMLO-IUODEOHRSA-N	1	0	364.396	1.562	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000272496307	877671152	/nfs/dbraw/zinc/67/11/52/877671152.db2.gz	GBFANRXVOLOAOS-IAGOWNOFSA-N	1	0	355.442	1.447	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCOc3ccccc32)C[C@H]1C	ZINC001106769964	877682764	/nfs/dbraw/zinc/68/27/64/877682764.db2.gz	NUVSRSKVZYFUGQ-LMMKCTJWSA-N	1	0	356.466	1.887	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cnn(CCC)c2C)C[C@H]1C	ZINC001106799663	878010800	/nfs/dbraw/zinc/01/08/00/878010800.db2.gz	KVXHRTUYZUSTHT-GDBMZVCRSA-N	1	0	361.490	1.201	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cnn(CCOCC)c2)C[C@H]1C	ZINC001106811052	878167670	/nfs/dbraw/zinc/16/76/70/878167670.db2.gz	MSXRRHCNNLXGPS-IAGOWNOFSA-N	1	0	364.490	1.420	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@]2(C)C1	ZINC000993441108	878214573	/nfs/dbraw/zinc/21/45/73/878214573.db2.gz	XQVMVQMNFIJLIB-PTSWNOGYSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=CCn1c(-c2cccnc2)nnc1N1CCN(c2ccnc(C)n2)CC1	ZINC000282130024	878217704	/nfs/dbraw/zinc/21/77/04/878217704.db2.gz	AOVGQEKDEGAYPA-UHFFFAOYSA-N	1	0	362.441	1.951	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(OC(C)C)n2)C[C@H]1C	ZINC001106815218	878230530	/nfs/dbraw/zinc/23/05/30/878230530.db2.gz	QTMMYQXFVUNTAG-IAGOWNOFSA-N	1	0	359.470	1.816	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2noc3c2C[C@H](C)CC3)C[C@H]1C	ZINC001106825137	878613730	/nfs/dbraw/zinc/61/37/30/878613730.db2.gz	BLVLFVXPGKJVIV-BZUAXINKSA-N	1	0	359.470	1.747	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)C1	ZINC001033089305	878842280	/nfs/dbraw/zinc/84/22/80/878842280.db2.gz	AOHCUNFGVWFNJK-KURKYZTESA-N	1	0	359.470	1.399	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21	ZINC000922628846	878849240	/nfs/dbraw/zinc/84/92/40/878849240.db2.gz	GPCMJGARWYJSNK-PHZGNYQRSA-N	1	0	364.490	1.354	20	30		FDEDRO
C[C@H](C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O)[NH+]1CCCCCC1	ZINC001083831754	879140845	/nfs/dbraw/zinc/14/08/45/879140845.db2.gz	ZZJNEPRDTUPASV-AHRSYUTCSA-N	1	0	370.497	1.484	20	30		FDEDRO
Cc1nc(NC(=N)N2CC[NH+](C)CC2)c(C#N)c(C)c1Br	ZINC001168737380	879780111	/nfs/dbraw/zinc/78/01/11/879780111.db2.gz	SZGHGCZZZMIDEU-UHFFFAOYSA-N	1	0	351.252	1.927	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC000993863876	879865184	/nfs/dbraw/zinc/86/51/84/879865184.db2.gz	FBXZTXSPFMOKHB-IJEWVQPXSA-N	1	0	357.458	1.052	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CCCC[N@H+]2CC)C1	ZINC000993882761	879959092	/nfs/dbraw/zinc/95/90/92/879959092.db2.gz	XPNQVPALIWHLON-KSZLIROESA-N	1	0	363.502	1.559	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC000993866723	880025642	/nfs/dbraw/zinc/02/56/42/880025642.db2.gz	AFZGDVCZYFIZPX-VMGRFDJRSA-N	1	0	357.458	1.051	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc4cc(OC)ccc4[nH]3)[C@H]2C1	ZINC001083180247	912571440	/nfs/dbraw/zinc/57/14/40/912571440.db2.gz	YTDYXUDEZQKRDO-RBUKOAKNSA-N	1	0	353.422	1.725	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ncoc2C(C)C)C[C@H]1C	ZINC001106842140	880641857	/nfs/dbraw/zinc/64/18/57/880641857.db2.gz	YVWPFCPXSGOULV-RBSFLKMASA-N	1	0	360.458	1.234	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)c3ccncc3)C[C@H]2C)CC1	ZINC000994133625	880732188	/nfs/dbraw/zinc/73/21/88/880732188.db2.gz	CNIIBLRLXNBHKR-VQIMIIECSA-N	1	0	368.481	1.251	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C	ZINC000994166255	880881230	/nfs/dbraw/zinc/88/12/30/880881230.db2.gz	UVDGVZVBMNZYCE-BRWVUGGUSA-N	1	0	358.486	1.450	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)c3ccc[nH]3)C[C@H]2C)CC1	ZINC000994136755	880898029	/nfs/dbraw/zinc/89/80/29/880898029.db2.gz	QDLBMDHYIUOLPA-NVXWUHKLSA-N	1	0	356.470	1.184	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCCC(N)=O)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001106854362	881104699	/nfs/dbraw/zinc/10/46/99/881104699.db2.gz	CFLXDWWBKTZELK-ZIAGYGMSSA-N	1	0	362.499	1.850	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C	ZINC000994242505	881281722	/nfs/dbraw/zinc/28/17/22/881281722.db2.gz	WQOCTWZIEPUVKY-UNEWFSDZSA-N	1	0	357.458	1.195	20	30		FDEDRO
CC(=O)N1CCN(C(NCCc2ccco2)=[NH+]C[C@@H]2CCCCO2)CC1	ZINC000153823080	881323531	/nfs/dbraw/zinc/32/35/31/881323531.db2.gz	UBOWUOSKNNWPBN-SFHVURJKSA-N	1	0	362.474	1.501	20	30		FDEDRO
COc1ccc(OC)c([C@H](O)C[NH2+]Cc2cnc3c(C#N)cnn3c2)c1	ZINC000917140905	883126482	/nfs/dbraw/zinc/12/64/82/883126482.db2.gz	ZNVOTTPYNHFGPN-MRXNPFEDSA-N	1	0	353.382	1.441	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(C(=O)N(C)C)c2)C[C@H]1C	ZINC001106888493	883377891	/nfs/dbraw/zinc/37/78/91/883377891.db2.gz	OYSSEMNPCLUWPZ-VQIMIIECSA-N	1	0	371.481	1.336	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)Cc2cnn(C)c2)[C@@H](n2ccnn2)C1	ZINC001128794213	883662047	/nfs/dbraw/zinc/66/20/47/883662047.db2.gz	LDSWFAXDCNAZPR-MSOLQXFVSA-N	1	0	371.489	1.342	20	30		FDEDRO
CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(C#N)c[nH]2)CC1	ZINC001005493738	883690935	/nfs/dbraw/zinc/69/09/35/883690935.db2.gz	VNUGIUZNVQXFGT-NUJGCVRESA-N	1	0	369.469	1.480	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)Cc2csc(C#N)c2)CCO1	ZINC000917753384	883745569	/nfs/dbraw/zinc/74/55/69/883745569.db2.gz	FRXYRGGSQJTOTJ-CQSZACIVSA-N	1	0	357.501	1.492	20	30		FDEDRO
C#CCN(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1	ZINC000917789875	883783787	/nfs/dbraw/zinc/78/37/87/883783787.db2.gz	XRDWGCWTYNFLPM-UHFFFAOYSA-N	1	0	360.414	1.713	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)C2C(C)(C)C2(C)C)[C@@H](n2ccnn2)C1	ZINC001128860312	883862630	/nfs/dbraw/zinc/86/26/30/883862630.db2.gz	CIRPJBKLHIZWFN-CABCVRRESA-N	1	0	361.490	1.504	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)CC1	ZINC000917867175	883882739	/nfs/dbraw/zinc/88/27/39/883882739.db2.gz	VRPOTUOQRDTEHU-MRXNPFEDSA-N	1	0	374.872	1.842	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)Cc2cc(C)n[nH]2)[C@@H](n2ccnn2)C1	ZINC001128878179	883916088	/nfs/dbraw/zinc/91/60/88/883916088.db2.gz	NVKLBYARFQZPOI-MSOLQXFVSA-N	1	0	371.489	1.640	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCN2CCCC2=O)C1	ZINC001034220658	883958854	/nfs/dbraw/zinc/95/88/54/883958854.db2.gz	VMUYJZVUDXEGFY-KURKYZTESA-N	1	0	363.502	1.561	20	30		FDEDRO
CC(=O)Nc1cccc(NC(=O)CO[NH+]=C(N)c2ccc(N(C)C)cc2)c1	ZINC000918185208	884204303	/nfs/dbraw/zinc/20/43/03/884204303.db2.gz	CTARIJPOLINHKT-UHFFFAOYSA-N	1	0	369.425	1.987	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@H+](CC2CC3(CCC3)C2)C[C@@H]1n1ccnn1	ZINC001128976260	884545141	/nfs/dbraw/zinc/54/51/41/884545141.db2.gz	MFOUHGCSRKTMLV-MSOLQXFVSA-N	1	0	371.485	1.240	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1C[N@H+](CC2CC3(CCC3)C2)C[C@@H]1n1ccnn1	ZINC001128976263	884545603	/nfs/dbraw/zinc/54/56/03/884545603.db2.gz	MLQLITPEPLUGKJ-MSOLQXFVSA-N	1	0	355.486	1.859	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCc3ccccc32)C[C@@H]1n1ccnn1	ZINC001128976362	884546491	/nfs/dbraw/zinc/54/64/91/884546491.db2.gz	RPUYXCKVCUWDQF-AABGKKOBSA-N	1	0	363.465	1.967	20	30		FDEDRO
CC(C)(C)C#CC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1n1ccnn1	ZINC001128980400	884572009	/nfs/dbraw/zinc/57/20/09/884572009.db2.gz	ZHBBCTPDNIBLHM-BBWFWOEESA-N	1	0	359.474	1.238	20	30		FDEDRO
C=CCN1CC[C@@H](N2C[C@@H](NC(=O)CC(C)(C)C3CC3)[C@H](OC)C2)C1=O	ZINC001212234137	884585964	/nfs/dbraw/zinc/58/59/64/884585964.db2.gz	ODICMQMBSGXWBW-BRWVUGGUSA-N	1	0	363.502	1.415	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)CC1	ZINC001034668775	884644498	/nfs/dbraw/zinc/64/44/98/884644498.db2.gz	YINRPWKLOSSETP-QZHFEQFPSA-N	1	0	357.454	1.879	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(OC)ncn2)[C@@H](n2ccnn2)C1	ZINC001128993500	884887680	/nfs/dbraw/zinc/88/76/80/884887680.db2.gz	AZDPHXPHNMKNFG-BMFZPTHFSA-N	1	0	371.445	1.087	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H](C)c2ccnn2C)[C@@H](n2ccnn2)C1	ZINC001128993573	884890433	/nfs/dbraw/zinc/89/04/33/884890433.db2.gz	FPIMQJLCIOXSML-INMHGKMJSA-N	1	0	357.462	1.123	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2CCCN(c3ccccc3)C2=O)CC1	ZINC000918774155	884927586	/nfs/dbraw/zinc/92/75/86/884927586.db2.gz	AKVWHVSFBAIMJD-SFHVURJKSA-N	1	0	354.454	1.579	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC1	ZINC001034736398	884929881	/nfs/dbraw/zinc/92/98/81/884929881.db2.gz	YAVBSVDQXZDFGM-VQHPVUNQSA-N	1	0	370.453	1.205	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCc2ccnn2C)C1	ZINC000999522930	912882436	/nfs/dbraw/zinc/88/24/36/912882436.db2.gz	CLQBKLLVQBJELY-FYOYPEGLSA-N	1	0	360.502	1.913	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCN(CC)C2=O)CC1	ZINC001034754718	884970111	/nfs/dbraw/zinc/97/01/11/884970111.db2.gz	PHAXBGLJTGLZFX-ATIWLJMLSA-N	1	0	363.502	1.605	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2ccnc2CC)[C@@H](n2ccnn2)C1	ZINC001129004802	884999064	/nfs/dbraw/zinc/99/90/64/884999064.db2.gz	XZNBLRGEWQZXCZ-ZACQAIPSSA-N	1	0	369.473	1.053	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(C[NH2+][C@@H]2CCCNC2=O)cc1	ZINC001034826773	885233964	/nfs/dbraw/zinc/23/39/64/885233964.db2.gz	XQBPMYKTMBMBEV-OTWHNJEPSA-N	1	0	371.481	1.652	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2ccncn2)[C@@H](n2ccnn2)C1	ZINC001129020325	885254297	/nfs/dbraw/zinc/25/42/97/885254297.db2.gz	PUGPDZQXCZHDJR-NXHRZFHOSA-N	1	0	369.473	1.397	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1n1ccnn1)OCC	ZINC001129029390	885337865	/nfs/dbraw/zinc/33/78/65/885337865.db2.gz	DHKAQPMQQTXERU-SQNIBIBYSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2scnc2CC)[C@@H](n2ccnn2)C1	ZINC001129031764	885397613	/nfs/dbraw/zinc/39/76/13/885397613.db2.gz	DTKHXEDYOHCQCB-CABCVRRESA-N	1	0	360.487	1.919	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2C#N)O1	ZINC001034975643	885406262	/nfs/dbraw/zinc/40/62/62/885406262.db2.gz	WIWQCNFJIAFKPF-ATZDWAIDSA-N	1	0	356.470	1.358	20	30		FDEDRO
C=CCN1C[C@@H](NC(=O)COCc2ccc(C)cc2)[C@@H](n2ccnn2)C1	ZINC001129037895	885439068	/nfs/dbraw/zinc/43/90/68/885439068.db2.gz	FBECPXSSSMMOTO-MSOLQXFVSA-N	1	0	355.442	1.331	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CC3CC(C)C3)C[C@@H]2n2ccnn2)CCC1	ZINC001129048969	885536206	/nfs/dbraw/zinc/53/62/06/885536206.db2.gz	MNGZETFRTQILKM-HIEASXQVSA-N	1	0	355.486	1.859	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CCOC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000919316121	885551366	/nfs/dbraw/zinc/55/13/66/885551366.db2.gz	USWTVUKOLOEVQV-KRWDZBQOSA-N	1	0	364.467	1.891	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1c(C)nnn1CC	ZINC001035075588	885574114	/nfs/dbraw/zinc/57/41/14/885574114.db2.gz	OAMBFXRYFXQTDH-RYRKJORJSA-N	1	0	361.490	1.668	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc(C)cc(C)n2)[C@@H](n2ccnn2)C1	ZINC001129084245	885707385	/nfs/dbraw/zinc/70/73/85/885707385.db2.gz	FWYRPTBPAXRUGD-MSOLQXFVSA-N	1	0	354.458	1.911	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2CC)[C@@H](n2ccnn2)C1	ZINC001129089537	885716060	/nfs/dbraw/zinc/71/60/60/885716060.db2.gz	KFOWVDNMNSIBNV-KYJSFNMBSA-N	1	0	371.489	1.584	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCc2cncc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129098313	885729148	/nfs/dbraw/zinc/72/91/48/885729148.db2.gz	HQUVAJMJKJGMRF-MOPGFXCFSA-N	1	0	368.485	1.922	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106894222	885739239	/nfs/dbraw/zinc/73/92/39/885739239.db2.gz	GIIHWUUNQJYIQR-KYJSFNMBSA-N	1	0	357.429	1.140	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)NC3CC3)[C@H](C)C2)nc1	ZINC001106894476	885753381	/nfs/dbraw/zinc/75/33/81/885753381.db2.gz	NTVJYBSQNJBLJH-IIAWOOMASA-N	1	0	354.454	1.028	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)[C@@H](n2ccnn2)C1	ZINC001129112655	885754584	/nfs/dbraw/zinc/75/45/84/885754584.db2.gz	HFMKMHJAPJSUQD-BDXSIMOUSA-N	1	0	359.474	1.401	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@](C)(C=C)CCOC)[C@@H](n2ccnn2)C1	ZINC001129127928	885821286	/nfs/dbraw/zinc/82/12/86/885821286.db2.gz	NWDXQSOYXNCREE-AOIWGVFYSA-N	1	0	361.490	1.815	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1n1ccnn1	ZINC001129148177	885880183	/nfs/dbraw/zinc/88/01/83/885880183.db2.gz	ZEOYNVLLLWTIFB-SJORKVTESA-N	1	0	371.489	1.198	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N[C@@H](C)CCC)[C@H](C)C2)cn1	ZINC001106896881	886140527	/nfs/dbraw/zinc/14/05/27/886140527.db2.gz	USRNOSWDXNAIFJ-SOLBZPMBSA-N	1	0	370.497	1.665	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N[C@H](C)CC)[C@H](C)C2)nc1	ZINC001106897335	886247065	/nfs/dbraw/zinc/24/70/65/886247065.db2.gz	ALSPAMQOEXZDNV-BFYDXBDKSA-N	1	0	356.470	1.275	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C	ZINC000994649522	886380969	/nfs/dbraw/zinc/38/09/69/886380969.db2.gz	XYKRTBSKTXDMBM-VQHPVUNQSA-N	1	0	363.502	1.273	20	30		FDEDRO
C[C@H](NS(=O)(=O)c1ccc(CCC#N)cc1)[C@H]1CN(C)CCN1C	ZINC000919975291	886461226	/nfs/dbraw/zinc/46/12/26/886461226.db2.gz	VAMGWENZTJMKOW-WMLDXEAASA-N	1	0	350.488	1.055	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1)C1CC[NH+](C)CC1	ZINC000920029213	886538482	/nfs/dbraw/zinc/53/84/82/886538482.db2.gz	FLVMOHVZXHYAGM-ZBFHGGJFSA-N	1	0	355.504	1.081	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@@H]1n1ccnn1	ZINC001129209155	886566517	/nfs/dbraw/zinc/56/65/17/886566517.db2.gz	CHXPVGWOANWORG-KURKYZTESA-N	1	0	361.490	1.935	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](CNC(=O)C#CC3CC3)CC2)CC[N@@H+]1C	ZINC001060740612	886652748	/nfs/dbraw/zinc/65/27/48/886652748.db2.gz	MZKCCINBZSWKCG-CADBVGFASA-N	1	0	359.514	1.921	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000499316743	886773222	/nfs/dbraw/zinc/77/32/22/886773222.db2.gz	OAUFZHKPOPRBEI-MSOLQXFVSA-N	1	0	371.485	1.546	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C2	ZINC000920274652	886799089	/nfs/dbraw/zinc/79/90/89/886799089.db2.gz	OHWPXBSORJCKDJ-ZJPYXAASSA-N	1	0	363.483	1.316	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)c1cccc(C#N)c1)C2	ZINC000920276318	886803768	/nfs/dbraw/zinc/80/37/68/886803768.db2.gz	WEVHCYRIGNCATM-TVFCKZIOSA-N	1	0	363.483	1.316	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Oc2cccnc2)[C@@H](n2ccnn2)C1	ZINC001129252704	886866784	/nfs/dbraw/zinc/86/67/84/886866784.db2.gz	HQESHLQUIPMMOM-OIISXLGYSA-N	1	0	356.430	1.058	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ncccc2C#N)CC[N@@H+]1C	ZINC001062046817	886937148	/nfs/dbraw/zinc/93/71/48/886937148.db2.gz	QETUQZDEFHZRTD-XWTMOSNGSA-N	1	0	353.470	1.863	20	30		FDEDRO
Cc1cc(N(C)C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C#N)cn1	ZINC001062187285	886971897	/nfs/dbraw/zinc/97/18/97/886971897.db2.gz	WKAOYIKVOUVCKY-SOLBZPMBSA-N	1	0	355.486	1.887	20	30		FDEDRO
Cc1cc(C#N)nc(N(C)CC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1	ZINC001062234442	886990668	/nfs/dbraw/zinc/99/06/68/886990668.db2.gz	CRCKQOIXZBRQNS-CRAIPNDOSA-N	1	0	370.501	1.672	20	30		FDEDRO
C#CCOCCC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001062241585	887003196	/nfs/dbraw/zinc/00/31/96/887003196.db2.gz	XCWVHPQSLTUABL-FGTMMUONSA-N	1	0	363.502	1.254	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C	ZINC001062354130	887072152	/nfs/dbraw/zinc/07/21/52/887072152.db2.gz	RYKCHPWWWUTUGH-BDXSIMOUSA-N	1	0	365.518	1.661	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O)C1CC[NH+](C)CC1	ZINC000920616890	887097601	/nfs/dbraw/zinc/09/76/01/887097601.db2.gz	ZQFYYTWRSKFSRS-QFBILLFUSA-N	1	0	368.481	1.919	20	30		FDEDRO
C=CCN(C(=O)C(=O)Nc1ccn(C)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000369929147	887150772	/nfs/dbraw/zinc/15/07/72/887150772.db2.gz	GQGPHPTWZDVAFZ-KRWDZBQOSA-N	1	0	367.453	1.648	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)C2(C#N)CCCCC2)C1	ZINC000920672959	887157113	/nfs/dbraw/zinc/15/71/13/887157113.db2.gz	CVWAYKLUNFKLDM-INIZCTEOSA-N	1	0	365.474	1.477	20	30		FDEDRO
Cc1nc(C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)ccc1C#N	ZINC000195458395	887348060	/nfs/dbraw/zinc/34/80/60/887348060.db2.gz	KMYURSQCZSYTCN-HZPDHXFCSA-N	1	0	355.486	1.892	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCC2CN(Cc3ccc(F)c(C#N)c3)C2)CC[N@@H+]1C	ZINC001031684120	887454501	/nfs/dbraw/zinc/45/45/01/887454501.db2.gz	HQZOQIRGVWZZIX-PKOBYXMFSA-N	1	0	358.461	1.976	20	30		FDEDRO
CC(C)[NH+](CCCNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1)C(C)C	ZINC000921150115	887480250	/nfs/dbraw/zinc/48/02/50/887480250.db2.gz	FJLGMAKHQFKEGH-NVXWUHKLSA-N	1	0	370.519	1.075	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@H]2CCCC[C@H]2C[NH3+])n1	ZINC000415438219	887612984	/nfs/dbraw/zinc/61/29/84/887612984.db2.gz	LUBZKZBINUUHAF-WFASDCNBSA-N	1	0	356.405	2.522	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F	ZINC000923035532	887861174	/nfs/dbraw/zinc/86/11/74/887861174.db2.gz	MFJMYXUIJXUSMZ-HRCADAONSA-N	1	0	354.372	1.735	20	30		FDEDRO
Cc1cc(NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)nn1-c1cc(C)cc(C)c1	ZINC000329493306	887936011	/nfs/dbraw/zinc/93/60/11/887936011.db2.gz	WOGOMOXGMJTIJD-SFHVURJKSA-N	1	0	370.501	2.369	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@H]1OC	ZINC001212265008	888276197	/nfs/dbraw/zinc/27/61/97/888276197.db2.gz	XDMPTMMBEYADDS-BHIYHBOVSA-N	1	0	360.454	1.057	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)Nc2cc(C)n(-c3cccc(C#N)c3)n2)CC1	ZINC000369972320	888541211	/nfs/dbraw/zinc/54/12/11/888541211.db2.gz	GBQCERRTULJGQD-UHFFFAOYSA-N	1	0	366.469	2.019	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](CCn2nc(C)nc2C)CC1	ZINC001006016820	888720968	/nfs/dbraw/zinc/72/09/68/888720968.db2.gz	SBMDGJRMHMOFJC-MSOLQXFVSA-N	1	0	361.490	1.409	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1	ZINC000938523202	888734781	/nfs/dbraw/zinc/73/47/81/888734781.db2.gz	RLODPXDWRONCPV-LNLFQRSKSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](CCO[C@@H]2CC2(F)F)CC1	ZINC001006021269	888758012	/nfs/dbraw/zinc/75/80/12/888758012.db2.gz	CXGKXCYKLWDAEW-OWCLPIDISA-N	1	0	358.429	1.925	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1	ZINC000938603557	888930973	/nfs/dbraw/zinc/93/09/73/888930973.db2.gz	CLEJHWJHRIVGKE-BBWFWOEESA-N	1	0	361.486	1.123	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1	ZINC000946891606	888972684	/nfs/dbraw/zinc/97/26/84/888972684.db2.gz	HHSFOUUROGMNJZ-AYBZRNKSSA-N	1	0	363.502	1.417	20	30		FDEDRO
Cc1ccccc1[C@H]([C@H](C)NC(=O)CNc1ccc(C#N)cn1)[NH+](C)C	ZINC000443402163	888996588	/nfs/dbraw/zinc/99/65/88/888996588.db2.gz	XUURWOPFHMNYHU-YWZLYKJASA-N	1	0	351.454	2.481	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)CN1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1	ZINC000923380985	889058953	/nfs/dbraw/zinc/05/89/53/889058953.db2.gz	YTUSDHVILADYKC-CEXWTWQISA-N	1	0	355.413	1.864	20	30		FDEDRO
CC1(C)CC[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)[N@H+](Cc2ccc(C#N)cc2)C1	ZINC001089698115	889162062	/nfs/dbraw/zinc/16/20/62/889162062.db2.gz	XMAXLWKKLJPYAA-KURKYZTESA-N	1	0	368.481	1.786	20	30		FDEDRO
COc1ccc([C@@H]2C[NH2+]CCN2C[C@@H](O)COc2ccccc2C#N)cc1	ZINC000923422529	889198447	/nfs/dbraw/zinc/19/84/47/889198447.db2.gz	HMFQAMULFZJQBJ-QUCCMNQESA-N	1	0	367.449	1.953	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCNc2cc(C)nc(C(C)C)n2)CC1	ZINC000923419063	889213148	/nfs/dbraw/zinc/21/31/48/889213148.db2.gz	YTLLMGDXDQTEKH-UHFFFAOYSA-N	1	0	358.490	1.717	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C	ZINC000923487593	889413525	/nfs/dbraw/zinc/41/35/25/889413525.db2.gz	MVVUZDHTLBVLEW-DLBZAZTESA-N	1	0	351.491	1.700	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CC[NH+]([C@@H](C)C(=O)NC)CC1	ZINC001006109297	889461673	/nfs/dbraw/zinc/46/16/73/889461673.db2.gz	QOGATAGXXXUUQV-XIRDDKMYSA-N	1	0	351.491	1.415	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1C1CCC1)C2	ZINC001112543694	889466260	/nfs/dbraw/zinc/46/62/60/889466260.db2.gz	PTTNHBCHDYWTIE-LJCCNALRSA-N	1	0	358.486	1.281	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CCCO[C@H]2C=C)c1	ZINC001127605350	889531102	/nfs/dbraw/zinc/53/11/02/889531102.db2.gz	YDCAKUWXJNKWGT-MSOLQXFVSA-N	1	0	355.438	1.293	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)c2cc(Br)c(C)n(C)c2=O)C1	ZINC000923561111	889805693	/nfs/dbraw/zinc/80/56/93/889805693.db2.gz	RQDZHFQTBNUNAC-GFCCVEGCSA-N	1	0	366.259	1.284	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)C1	ZINC000923556439	889812038	/nfs/dbraw/zinc/81/20/38/889812038.db2.gz	XCJMLQYTYGCDSN-XUVXKRRUSA-N	1	0	371.529	1.448	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)c2ccc(=O)n(-c3ccccc3F)n2)C1	ZINC000923562935	889841103	/nfs/dbraw/zinc/84/11/03/889841103.db2.gz	OJCZIDKTHUWYCL-CQSZACIVSA-N	1	0	354.385	1.199	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)[C@H](c2ccccc2F)N2CCOCC2)C1	ZINC000923573220	889904698	/nfs/dbraw/zinc/90/46/98/889904698.db2.gz	KLJIZIJFXZGUKI-APWZRJJASA-N	1	0	359.445	1.413	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)C1	ZINC000923582405	889973568	/nfs/dbraw/zinc/97/35/68/889973568.db2.gz	NOUNUKGMWBBDIP-HIFRSBDPSA-N	1	0	361.392	1.532	20	30		FDEDRO
C[C@H](NC(=O)[C@@H]([NH3+])CO)c1nc(-c2ccc(C(C)(C)C)cc2C#N)no1	ZINC001212305239	889985680	/nfs/dbraw/zinc/98/56/80/889985680.db2.gz	FGTBJRQOOCKCEC-HZMBPMFUSA-N	1	0	357.414	1.403	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN(C(=O)CC)C2)[C@H](OC)C1	ZINC001212308916	890027645	/nfs/dbraw/zinc/02/76/45/890027645.db2.gz	KKAVEGRGOKKIFX-BRWVUGGUSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1n1ccnn1	ZINC001129288974	890065236	/nfs/dbraw/zinc/06/52/36/890065236.db2.gz	NDRMYNSKLYLSOY-BBWFWOEESA-N	1	0	361.490	1.649	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)C1	ZINC000939244955	890275062	/nfs/dbraw/zinc/27/50/62/890275062.db2.gz	GTUKGQMLQVNDLX-IIDMSEBBSA-N	1	0	371.485	1.585	20	30		FDEDRO
CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000249486980	890367233	/nfs/dbraw/zinc/36/72/33/890367233.db2.gz	YMPGFYQJGCCTMP-QRVBRYPASA-N	1	0	364.534	1.862	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CCC)C[C@H]2C)c1	ZINC000940012717	891634960	/nfs/dbraw/zinc/63/49/60/891634960.db2.gz	SJYNFYUAYPMGFK-ATZDWAIDSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CC[NH+]([C@H](CC)C(N)=O)CC1	ZINC001001934488	891687769	/nfs/dbraw/zinc/68/77/69/891687769.db2.gz	QECOQHXSJQXFJF-BBWFWOEESA-N	1	0	351.491	1.450	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CC[NH+]([C@@H](CC)C(N)=O)CC1	ZINC001001934491	891687846	/nfs/dbraw/zinc/68/78/46/891687846.db2.gz	QECOQHXSJQXFJF-ULQDDVLXSA-N	1	0	351.491	1.450	20	30		FDEDRO
C[NH+](C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(C#N)[nH]2)C3)CCC1	ZINC001002093684	891916711	/nfs/dbraw/zinc/91/67/11/891916711.db2.gz	VQZHYVPOTXDFIH-BMFZPTHFSA-N	1	0	355.442	1.232	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(C#N)c1)C2	ZINC001002143230	891982838	/nfs/dbraw/zinc/98/28/38/891982838.db2.gz	RSXOBDLMQOLOFI-YYQUZTFQSA-N	1	0	355.442	1.232	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CCn4cncn4)[C@@H]3C2)cc1	ZINC001084192074	913621016	/nfs/dbraw/zinc/62/10/16/913621016.db2.gz	KVCHZLUYOROYAH-QZTJIDSGSA-N	1	0	350.426	1.273	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001002234893	892232747	/nfs/dbraw/zinc/23/27/47/892232747.db2.gz	RQRMWEHYTIJDQI-MLHJIOFPSA-N	1	0	363.502	1.273	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1C	ZINC000921870998	892348653	/nfs/dbraw/zinc/34/86/53/892348653.db2.gz	PBRTVIGXHDSGLR-COXVUDFISA-N	1	0	355.442	1.445	20	30		FDEDRO
C[C@@H]1CN(C[C@H]2CCCN2C(=O)C(=O)Nc2cccc(C#N)c2)C[C@H](C)O1	ZINC000253294699	892505188	/nfs/dbraw/zinc/50/51/88/892505188.db2.gz	HSSLEFWPTLBHJC-RVKKMQEKSA-N	1	0	370.453	1.597	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1	ZINC000940691135	892886660	/nfs/dbraw/zinc/88/66/60/892886660.db2.gz	KCWGJAGCOOVXIO-TWMKSMIVSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1	ZINC000940720176	893008654	/nfs/dbraw/zinc/00/86/54/893008654.db2.gz	FJEMMOHNIQQXTM-AOIWGVFYSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)CC)C[C@H]2c2ccccc2)CC1	ZINC000940723120	893017864	/nfs/dbraw/zinc/01/78/64/893017864.db2.gz	IIZMYMLBZLXWMW-VQTJNVASSA-N	1	0	367.493	1.852	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)CC1(C)C	ZINC000940753914	893127748	/nfs/dbraw/zinc/12/77/48/893127748.db2.gz	QJQVSASHAUNJKX-OWCLPIDISA-N	1	0	351.491	1.273	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)c2ccncc2)CC1	ZINC000672356260	893171725	/nfs/dbraw/zinc/17/17/25/893171725.db2.gz	MCCBDXRVTJFOOB-UHFFFAOYSA-N	1	0	358.486	1.632	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CN(C)Cc3ccccc32)CC1	ZINC000672355267	893216001	/nfs/dbraw/zinc/21/60/01/893216001.db2.gz	SPULAXDLLOWYCW-SFHVURJKSA-N	1	0	356.470	1.056	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCN(Cc3ccccc3)CC2)CC1	ZINC000672354796	893217046	/nfs/dbraw/zinc/21/70/46/893217046.db2.gz	VHUDOVMOEPWHIK-UHFFFAOYSA-N	1	0	370.497	1.097	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnoc1CC)C2	ZINC001002700931	893650552	/nfs/dbraw/zinc/65/05/52/893650552.db2.gz	NLQXNVDDLQHOHC-SIXLDLHFSA-N	1	0	370.453	1.196	20	30		FDEDRO
CC[C@H](C(=O)N[C@@H]1CN(Cc2cc(C#N)ccc2F)C[C@H]1OC)[NH+](C)C	ZINC001212461320	893818808	/nfs/dbraw/zinc/81/88/08/893818808.db2.gz	WAPOZPKNIBONKB-KZNAEPCWSA-N	1	0	362.449	1.353	20	30		FDEDRO
N#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc5nonc5c4)C[C@H]32)[nH]1	ZINC001084288852	913819214	/nfs/dbraw/zinc/81/92/14/913819214.db2.gz	CZQPRJAJSRXRJX-FZKQIMNGSA-N	1	0	362.393	1.769	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCCN(C(=O)[C@H](CC)[NH+](C)C)CC1	ZINC000941178565	894019131	/nfs/dbraw/zinc/01/91/31/894019131.db2.gz	QRVAGIRQRPVRMI-BZSNNMDCSA-N	1	0	365.518	1.759	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)COCc2ccc(OC)nc2)[C@H](OC)C1	ZINC001212465093	894056231	/nfs/dbraw/zinc/05/62/31/894056231.db2.gz	DTJHWXFAFXLVAY-IAGOWNOFSA-N	1	0	363.458	1.388	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)CCc1ccc2c(c1)CCO2	ZINC000922022098	894480555	/nfs/dbraw/zinc/48/05/55/894480555.db2.gz	HZAYSEFFYNUSKV-UHFFFAOYSA-N	1	0	362.495	1.523	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C(=O)OC)ccc1F	ZINC000922025325	894532538	/nfs/dbraw/zinc/53/25/38/894532538.db2.gz	XZCXXLLQMHUCDW-UHFFFAOYSA-N	1	0	368.430	1.330	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cnn2c1OCC(C)(C)C2	ZINC000922025809	894536571	/nfs/dbraw/zinc/53/65/71/894536571.db2.gz	OECYETMSVIPJAA-UHFFFAOYSA-N	1	0	366.487	1.020	20	30		FDEDRO
C=C(C)CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccncc3)CC2)C1	ZINC000941414093	894942056	/nfs/dbraw/zinc/94/20/56/894942056.db2.gz	NCWFXELLHLBXJB-VQTJNVASSA-N	1	0	354.498	1.980	20	30		FDEDRO
N#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](C[C@@H](O)c4ccc(F)cc4)C[C@H]32)[nH]1	ZINC001084283520	913924449	/nfs/dbraw/zinc/92/44/49/913924449.db2.gz	DTPBQIYKDSKINO-NIKGAXFTSA-N	1	0	368.412	1.905	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CC4OCCCO4)[C@@H]3C2)cc1	ZINC001084302763	913937531	/nfs/dbraw/zinc/93/75/31/913937531.db2.gz	GWTGKDYWUHYWPB-QZTJIDSGSA-N	1	0	355.438	1.744	20	30		FDEDRO
CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C(C)C	ZINC000941786290	895692520	/nfs/dbraw/zinc/69/25/20/895692520.db2.gz	RQZPOVCGGUQCJY-KZNAEPCWSA-N	1	0	361.486	1.005	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCn2cc(C)nc2C1)C(C)C	ZINC000671082000	896134028	/nfs/dbraw/zinc/13/40/28/896134028.db2.gz	GYFFDYFUFFJXOO-KRWDZBQOSA-N	1	0	373.501	1.349	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3CCC)[C@H](OC)C2)C1	ZINC000942120155	896395957	/nfs/dbraw/zinc/39/59/57/896395957.db2.gz	CNMVPSIAHYCLED-BRWVUGGUSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3CCC)[C@H](OC)C2)C1	ZINC000942120156	896396198	/nfs/dbraw/zinc/39/61/98/896396198.db2.gz	CNMVPSIAHYCLED-IXDOHACOSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)nn2)C1	ZINC001000013503	896493403	/nfs/dbraw/zinc/49/34/03/896493403.db2.gz	HQDPREKFAAOQFJ-WXJALIKYSA-N	1	0	371.485	1.531	20	30		FDEDRO
C=CC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@H]3OCC[C@H]3CC)C2)n1	ZINC001128106694	896960544	/nfs/dbraw/zinc/96/05/44/896960544.db2.gz	CNIVAQNIVJNUNY-AYBZRNKSSA-N	1	0	358.486	1.867	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c(C)noc2C)C[C@H]1C	ZINC001106973237	897236786	/nfs/dbraw/zinc/23/67/86/897236786.db2.gz	JDVNSSXDYHRUMD-XNRPHZJLSA-N	1	0	362.474	1.209	20	30		FDEDRO
CCc1ccc(CCC(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)cc1	ZINC001106974495	897265578	/nfs/dbraw/zinc/26/55/78/897265578.db2.gz	PIMLVBNLPAAMIY-VQIMIIECSA-N	1	0	370.497	1.505	20	30		FDEDRO
C#CCC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@@H]3CCO[C@H]3C=C)C2)n1	ZINC001128116753	897285006	/nfs/dbraw/zinc/28/50/06/897285006.db2.gz	ADIKHYRMNUIXHD-OTWHNJEPSA-N	1	0	368.481	1.481	20	30		FDEDRO
C=CC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)n1	ZINC001128133484	897438627	/nfs/dbraw/zinc/43/86/27/897438627.db2.gz	ZTGYYWNAZRQLNZ-TVFCKZIOSA-N	1	0	356.470	1.620	20	30		FDEDRO
C#CCC[N@H+]1C[C@H](NC(=O)[C@H]2CCO[C@H]2C(=C)C)CC2(CCOCC2)C1	ZINC001089962981	897466595	/nfs/dbraw/zinc/46/65/95/897466595.db2.gz	DGGIYABNYZEKET-QYZOEREBSA-N	1	0	360.498	1.978	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C(N)=O)cc2)C1	ZINC001032040887	897599316	/nfs/dbraw/zinc/59/93/16/897599316.db2.gz	ZCMVGPYPRPBKLP-OALUTQOASA-N	1	0	371.481	1.705	20	30		FDEDRO
CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000942728272	897695646	/nfs/dbraw/zinc/69/56/46/897695646.db2.gz	CDKSSTHOBBTGLV-FVQBIDKESA-N	1	0	357.458	1.290	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cncnc2C(C)C)C[C@H]1C	ZINC001106990787	897866605	/nfs/dbraw/zinc/86/66/05/897866605.db2.gz	BBGMBCHGHQNMOD-OWCLPIDISA-N	1	0	371.485	1.036	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3CC)C2)CC1	ZINC000942824238	897873559	/nfs/dbraw/zinc/87/35/59/897873559.db2.gz	GBEMZYJCAWADBB-BHIYHBOVSA-N	1	0	359.514	1.827	20	30		FDEDRO
N#Cc1ccc(Br)c(C[NH2+]CC2(O)CCS(=O)(=O)CC2)c1	ZINC000921772215	897882017	/nfs/dbraw/zinc/88/20/17/897882017.db2.gz	DATDDPKJOMRYTP-UHFFFAOYSA-N	1	0	373.272	1.350	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccnc(C)n2)C[C@H]1C	ZINC001106993276	898149592	/nfs/dbraw/zinc/14/95/92/898149592.db2.gz	JPPLRHXCVSWEDJ-NVXWUHKLSA-N	1	0	371.485	1.283	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CN2CCc3ccccc32)C[C@H]1C	ZINC001106995800	898321022	/nfs/dbraw/zinc/32/10/22/898321022.db2.gz	OUYINJBBCQGXBT-IEBWSBKVSA-N	1	0	355.482	1.383	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](OC)C1	ZINC000943069233	898322778	/nfs/dbraw/zinc/32/27/78/898322778.db2.gz	MEOGXGAHEZJNRR-HLIPFELVSA-N	1	0	370.453	1.892	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)CC[N@@H+](C)CC	ZINC001078396672	898727519	/nfs/dbraw/zinc/72/75/19/898727519.db2.gz	CSSFVQUPLYQNLK-BQFCYCMXSA-N	1	0	353.507	1.711	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1	ZINC001078535322	898884133	/nfs/dbraw/zinc/88/41/33/898884133.db2.gz	LAQGUTSPNKGNBO-BBWFWOEESA-N	1	0	351.491	1.320	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO	ZINC000656192239	899023158	/nfs/dbraw/zinc/02/31/58/899023158.db2.gz	HGAMDWBUARIZFE-NMLBUPMWSA-N	1	0	373.497	1.902	20	30		FDEDRO
CCc1nc(C#N)cc(NC[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)n1	ZINC001061014282	899055228	/nfs/dbraw/zinc/05/52/28/899055228.db2.gz	KEQOGPSOBNDRNG-HYVNUMGLSA-N	1	0	370.501	1.901	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C3)cc1	ZINC001001697472	899194758	/nfs/dbraw/zinc/19/47/58/899194758.db2.gz	YYVFJALJUFAOFJ-YRXWBPOGSA-N	1	0	351.450	1.624	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H](C=C)c2ccccc2)C[C@H]1C	ZINC001107018873	899559048	/nfs/dbraw/zinc/55/90/48/899559048.db2.gz	OCKISVYMFZXADQ-WSTZPKSXSA-N	1	0	367.493	1.780	20	30		FDEDRO
CCCC(=O)N1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1	ZINC001107021922	899602007	/nfs/dbraw/zinc/60/20/07/899602007.db2.gz	DRLKZUUEYNNCKZ-KURKYZTESA-N	1	0	363.502	1.111	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCn2cccc2)C[C@H]1C	ZINC001107022401	899615147	/nfs/dbraw/zinc/61/51/47/899615147.db2.gz	OCOFEMBQKNMGDM-KZNAEPCWSA-N	1	0	360.502	1.643	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)ccc1Br	ZINC001238099304	899659256	/nfs/dbraw/zinc/65/92/56/899659256.db2.gz	UAFFZMMSJTYNPC-NSHDSACASA-N	1	0	358.261	1.741	20	30		FDEDRO
C[C@@H]1CN(C(=O)CNC(=O)C2CCC2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001107031008	899669391	/nfs/dbraw/zinc/66/93/91/899669391.db2.gz	GXCSQQPRISUIJI-YLJYHZDGSA-N	1	0	367.493	1.639	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)cn1	ZINC000944052430	899775175	/nfs/dbraw/zinc/77/51/75/899775175.db2.gz	LDAZYOMGUXTDJJ-CEXWTWQISA-N	1	0	368.481	1.514	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=C)Cl)[C@H](C)C1	ZINC001107036723	900003321	/nfs/dbraw/zinc/00/33/21/900003321.db2.gz	RJEDKVHHZDUPCU-TZMCWYRMSA-N	1	0	356.898	1.687	20	30		FDEDRO
Cc1ccc(C[C@@H](C)C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)cc1	ZINC001107047982	900125723	/nfs/dbraw/zinc/12/57/23/900125723.db2.gz	BAFQATRPSRSVTF-ZHALLVOQSA-N	1	0	370.497	1.498	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C[C@H]1C	ZINC001107056884	900254153	/nfs/dbraw/zinc/25/41/53/900254153.db2.gz	AJDVMWYJGAANMU-AQCKIFKESA-N	1	0	357.498	1.101	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]Cc2nnc(C3CC3)n2C)[C@H](C)C1	ZINC001107058876	900292034	/nfs/dbraw/zinc/29/20/34/900292034.db2.gz	FOFQYUSBDMXZST-GDBMZVCRSA-N	1	0	361.490	1.469	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nc(CCOC)no2)[C@H](C)C1	ZINC001107062553	900372963	/nfs/dbraw/zinc/37/29/63/900372963.db2.gz	MXUBDRUVBICCNY-RBSFLKMASA-N	1	0	366.462	1.034	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2nnc(CC)o2)[C@H](C)C1	ZINC001107064954	900452176	/nfs/dbraw/zinc/45/21/76/900452176.db2.gz	CRGIRMPCFUHJNK-QLFBSQMISA-N	1	0	350.463	1.970	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]Cc2nc(CC3CC3)no2)[C@H](C)C1	ZINC001107065167	900453591	/nfs/dbraw/zinc/45/35/91/900453591.db2.gz	IKACEVIGUWHUMG-GDBMZVCRSA-N	1	0	362.474	1.799	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)c2ccccc2)C[C@H]1C	ZINC001107068109	900473057	/nfs/dbraw/zinc/47/30/57/900473057.db2.gz	QANWXNPGJNISCM-IAGOWNOFSA-N	1	0	358.486	1.109	20	30		FDEDRO
COCCOCCC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1	ZINC001107069062	900482927	/nfs/dbraw/zinc/48/29/27/900482927.db2.gz	MJVZISAVZMDLCG-VQIMIIECSA-N	1	0	359.470	1.795	20	30		FDEDRO
NC(=[NH+]OCC(=O)NC1CCOCC1)c1ccc(N2CCCCC2)cc1	ZINC000072921485	900565258	/nfs/dbraw/zinc/56/52/58/900565258.db2.gz	KEEDPFRCFQWBQD-UHFFFAOYSA-N	1	0	360.458	1.609	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c3ccc(F)cc32)C[C@H]1C	ZINC001107092013	900789488	/nfs/dbraw/zinc/78/94/88/900789488.db2.gz	GFLKFJOOYSEXTD-ZIAGYGMSSA-N	1	0	370.428	1.354	20	30		FDEDRO
CC(C)C[C@H](C(N)=O)C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1	ZINC001107095025	900840665	/nfs/dbraw/zinc/84/06/65/900840665.db2.gz	ZKKLPTIIBIZQAV-MISYRCLQSA-N	1	0	369.509	1.870	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1(CNC(=O)[C@@H](CC)[NH+](C)C)CCC1	ZINC001063497934	900957154	/nfs/dbraw/zinc/95/71/54/900957154.db2.gz	HJSXYFQHOJKBNL-OAGGEKHMSA-N	1	0	351.491	1.463	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)C[C@H]1C	ZINC001107101954	901117917	/nfs/dbraw/zinc/11/79/17/901117917.db2.gz	GSBYZBMGXOGVBN-OWCLPIDISA-N	1	0	351.491	1.694	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(c2cccc(N3CC[NH+](CC)CC3)c2)C1=O	ZINC000348645858	901337296	/nfs/dbraw/zinc/33/72/96/901337296.db2.gz	MWSOIJHOOJUUIT-KRWDZBQOSA-N	1	0	358.442	1.456	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CCN(c4ccnc(C#N)n4)C3)C2)CC[N@@H+]1C	ZINC001064649588	901517122	/nfs/dbraw/zinc/51/71/22/901517122.db2.gz	DQNZCMDPGCHHMG-RZQQEMMASA-N	1	0	368.485	1.507	20	30		FDEDRO
Cc1cc(C#N)nc(N2CC[C@@]3(CCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C3)C2)n1	ZINC001064650177	901519715	/nfs/dbraw/zinc/51/97/15/901519715.db2.gz	QDTYVHUXCGKZTM-WRWLIDTKSA-N	1	0	368.485	1.426	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1CC[C@H]2CN(c3nc(C)cc(C#N)n3)C[C@H]21	ZINC001090327106	901702744	/nfs/dbraw/zinc/70/27/44/901702744.db2.gz	ATMHMQQAYHAQCJ-DOTOQJQBSA-N	1	0	356.474	1.426	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2CN(c3ccc(C#N)nn3)C[C@H]21	ZINC001090341429	901760460	/nfs/dbraw/zinc/76/04/60/901760460.db2.gz	XBDWBRLDAKDLNH-NUEKZKHPSA-N	1	0	360.437	1.065	20	30		FDEDRO
C[NH+](C)CCC(=O)N1CC[C@H]2CN(c3nc(Cl)c(C#N)s3)C[C@H]21	ZINC001090354779	901816964	/nfs/dbraw/zinc/81/69/64/901816964.db2.gz	WBTBBKYHGUQXBL-WDEREUQCSA-N	1	0	353.879	1.657	20	30		FDEDRO
C[N@H+](CC(=O)N1CC[C@H]2CN(c3ccc(C#N)nn3)C[C@H]21)CC(C)(C)C	ZINC001090355930	901826610	/nfs/dbraw/zinc/82/66/10/901826610.db2.gz	QLAFNYKMWOHFCR-GOEBONIOSA-N	1	0	356.474	1.363	20	30		FDEDRO
CC[C@H](C(=O)N1CC[C@H]2CN(c3ccc(C#N)nn3)C[C@H]21)[NH+](CC)CC	ZINC001090356156	901827663	/nfs/dbraw/zinc/82/76/63/901827663.db2.gz	UTKFFULTOWYTNE-USXIJHARSA-N	1	0	356.474	1.506	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ncoc2C)C1	ZINC001079128188	901931456	/nfs/dbraw/zinc/93/14/56/901931456.db2.gz	ONAFXMHZJFQBDE-QZTJIDSGSA-N	1	0	353.422	1.694	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001079143592	901953478	/nfs/dbraw/zinc/95/34/78/901953478.db2.gz	BEUWFNPPUBXUDR-FCGDIQPGSA-N	1	0	371.481	1.148	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnon2)C1	ZINC001079146018	901960447	/nfs/dbraw/zinc/96/04/47/901960447.db2.gz	MVFAMXLIQAWROC-QZTJIDSGSA-N	1	0	356.426	1.723	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2nocc2C)C1	ZINC001079146469	901965327	/nfs/dbraw/zinc/96/53/27/901965327.db2.gz	OFCWPHBMEZELAF-QZTJIDSGSA-N	1	0	353.422	1.694	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCCN2C)CC[C@H]1c1ccc(F)cc1	ZINC001079151132	901984059	/nfs/dbraw/zinc/98/40/59/901984059.db2.gz	BEUFAXHOCNFWOG-OTWHNJEPSA-N	1	0	359.445	1.064	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)CC[C@H]1c1ccc(F)cc1	ZINC001079152201	901987016	/nfs/dbraw/zinc/98/70/16/901987016.db2.gz	ADTXQLCEVHEVPZ-RYQLBKOJSA-N	1	0	359.445	1.764	20	30		FDEDRO
C[NH+](C)[C@@H](C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NCC#N)C1)C1CC1	ZINC001079153672	901989749	/nfs/dbraw/zinc/98/97/49/901989749.db2.gz	UMTMYHWNRKKAMG-IPMKNSEASA-N	1	0	358.461	1.964	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCCNC2=O)C1	ZINC001079136896	902008142	/nfs/dbraw/zinc/00/81/42/902008142.db2.gz	IZOFPBYMJQKIGS-GUDVDZBRSA-N	1	0	371.481	1.163	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccn(C)c(=O)c2)C1	ZINC001079138289	902019772	/nfs/dbraw/zinc/01/97/72/902019772.db2.gz	XOWGTJARDZQCBN-RTBURBONSA-N	1	0	367.449	1.259	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@H]1c1cccc(F)c1	ZINC001079172670	902051523	/nfs/dbraw/zinc/05/15/23/902051523.db2.gz	NAKJLTNCLBGODU-GVDBMIGSSA-N	1	0	368.836	1.878	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]Cc2cnnn2C)C1	ZINC001079174771	902056922	/nfs/dbraw/zinc/05/69/22/902056922.db2.gz	HDIKNHQXKVKZKR-AFAVFJNCSA-N	1	0	356.405	1.198	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(C)nc[nH]c2=O)CC[C@H]1c1ccc(F)cc1	ZINC001079156842	902074402	/nfs/dbraw/zinc/07/44/02/902074402.db2.gz	KSXMJXRPWJFKKP-DLBZAZTESA-N	1	0	368.412	1.851	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC[C@H]1c1ccc(F)cc1	ZINC001079158966	902080654	/nfs/dbraw/zinc/08/06/54/902080654.db2.gz	CPNGWLSTPLHGFM-ZSYWTGECSA-N	1	0	371.456	1.457	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CC)C[C@H]2c2cccc(F)c2)C1=O	ZINC001079165308	902092793	/nfs/dbraw/zinc/09/27/93/902092793.db2.gz	NDRIUGDUWRRLEU-RCCFBDPRSA-N	1	0	359.445	1.907	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)N2C[C@@H](c3cccc(F)c3)[C@H](NCC#N)C2)C1	ZINC001079198681	902097549	/nfs/dbraw/zinc/09/75/49/902097549.db2.gz	NGWKBYWTXBHCFH-ZWKOTPCHSA-N	1	0	358.461	1.965	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCC(=O)N2)C[C@H]1c1cccc(F)c1	ZINC001079198783	902098178	/nfs/dbraw/zinc/09/81/78/902098178.db2.gz	RHQBWGOYWGLJQN-RCCFBDPRSA-N	1	0	359.445	1.955	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1c1cccc(F)c1	ZINC001079198806	902099303	/nfs/dbraw/zinc/09/93/03/902099303.db2.gz	SLCADTSFWGCLSO-MXSMSXNCSA-N	1	0	357.429	1.245	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cc2OC)C[C@H]1c1cccc(F)c1	ZINC001079199564	902099390	/nfs/dbraw/zinc/09/93/90/902099390.db2.gz	AFVSPDSJJITDQK-DLBZAZTESA-N	1	0	369.396	1.766	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]C[C@@H](C)O)C2)nc1	ZINC001079206990	902113024	/nfs/dbraw/zinc/11/30/24/902113024.db2.gz	HZTUEXSDFNJMEO-HEFCMCLBSA-N	1	0	367.424	1.781	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2cncnc2)C[C@H]1c1cccc(F)c1	ZINC001079191538	902147780	/nfs/dbraw/zinc/14/77/80/902147780.db2.gz	VNMIWMZURMUBNF-RBUKOAKNSA-N	1	0	352.413	1.766	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccc(C(N)=O)n2)C[C@H]1c1cccc(F)c1	ZINC001079211141	902149608	/nfs/dbraw/zinc/14/96/08/902149608.db2.gz	SFVJTIJFQZGMFU-MAUKXSAKSA-N	1	0	368.412	1.703	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3cccc(=O)[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079233502	902168172	/nfs/dbraw/zinc/16/81/72/902168172.db2.gz	PUTXXJQORKMHOC-DOTOQJQBSA-N	1	0	357.454	1.916	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc[nH]2)C3)CC1	ZINC000995753676	902187300	/nfs/dbraw/zinc/18/73/00/902187300.db2.gz	BDALGMIUHYYLAW-NJAFHUGGSA-N	1	0	354.454	1.222	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)[C@@H]3COC[C@@H]32)CC1	ZINC001079241829	902193654	/nfs/dbraw/zinc/19/36/54/902193654.db2.gz	FDFWBUAILYBCEZ-YYIAUSFCSA-N	1	0	361.486	1.027	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCc4n[nH]cc43)[C@@H]3COC[C@@H]32)CC1	ZINC001079241862	902195293	/nfs/dbraw/zinc/19/52/93/902195293.db2.gz	GNPVPZKWJJKWSI-VDZJLULYSA-N	1	0	368.481	1.402	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3cnn(C)c3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079221050	902220708	/nfs/dbraw/zinc/22/07/08/902220708.db2.gz	JTQILXPSTCSLDU-ZWKOTPCHSA-N	1	0	358.486	1.858	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3ccnc(F)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079228522	902244026	/nfs/dbraw/zinc/24/40/26/902244026.db2.gz	PEZHJHMRRMLUTD-DLBZAZTESA-N	1	0	357.429	1.797	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc4n(n3)CCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079245118	902253650	/nfs/dbraw/zinc/25/36/50/902253650.db2.gz	XZETYLDOGZCBTR-FUHWJXTLSA-N	1	0	354.454	1.016	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCc4nccn43)[C@@H]3COC[C@@H]32)CC1	ZINC001079245598	902253954	/nfs/dbraw/zinc/25/39/54/902253954.db2.gz	BHPKKGAPWNPQFY-RCCFBDPRSA-N	1	0	368.481	1.333	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCn4nccc43)[C@@H]3COC[C@@H]32)CC1	ZINC001079248360	902264301	/nfs/dbraw/zinc/26/43/01/902264301.db2.gz	VHBWVRSUPODTBM-ZIFCJYIRSA-N	1	0	368.481	1.333	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC(=O)NC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079249939	902267471	/nfs/dbraw/zinc/26/74/71/902267471.db2.gz	CIBGWIOAKJEEJY-IXDOHACOSA-N	1	0	361.486	1.028	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)Cc3ccn(C(C)C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079252201	902274409	/nfs/dbraw/zinc/27/44/09/902274409.db2.gz	CQXNOZFYURXDDP-RBUKOAKNSA-N	1	0	370.497	1.579	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)Cc3ccc(=O)[nH]c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079252873	902275487	/nfs/dbraw/zinc/27/54/87/902275487.db2.gz	RZFVTLMZMRAGEM-DLBZAZTESA-N	1	0	357.454	1.455	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc(CC)nnc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079252747	902275635	/nfs/dbraw/zinc/27/56/35/902275635.db2.gz	RGRUZYXWIKKNHM-RBUKOAKNSA-N	1	0	368.481	1.534	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cnn4cccnc34)[C@@H]3COC[C@@H]32)CC1	ZINC001079254598	902280804	/nfs/dbraw/zinc/28/08/04/902280804.db2.gz	KJGHMGRQMKKFRW-DLBZAZTESA-N	1	0	367.453	1.468	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)C3(c4cc(C)no4)CC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079256733	902286892	/nfs/dbraw/zinc/28/68/92/902286892.db2.gz	CDDMLUKFPAYJDI-DLBZAZTESA-N	1	0	369.465	1.587	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3cccc(=O)n3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079259645	902296178	/nfs/dbraw/zinc/29/61/78/902296178.db2.gz	LYAMDGDGEODBAD-FUHWJXTLSA-N	1	0	371.481	1.514	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)COc3cccnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079265703	902313747	/nfs/dbraw/zinc/31/37/47/902313747.db2.gz	XDMGIFIZZBSAFP-RBUKOAKNSA-N	1	0	369.465	1.423	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cn(CC4CC4)nn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079268193	902321489	/nfs/dbraw/zinc/32/14/89/902321489.db2.gz	SFCMZGNZFMAAIN-FUHWJXTLSA-N	1	0	371.485	1.427	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCc4nc[nH]c4C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269120	902323155	/nfs/dbraw/zinc/32/31/55/902323155.db2.gz	HKGYDVDSWSYOLO-JTDSTZFVSA-N	1	0	368.481	1.087	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3cn4c(n3)CCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079242998	902338883	/nfs/dbraw/zinc/33/88/83/902338883.db2.gz	FSCUENKWBZQCPB-FUHWJXTLSA-N	1	0	370.497	1.958	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCC3)C[C@H]1c1ccccc1F	ZINC001079297871	902404934	/nfs/dbraw/zinc/40/49/34/902404934.db2.gz	PHQSYUDZFTZRQI-QFBILLFUSA-N	1	0	352.413	1.799	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnc3n[nH]nc3c2)C[C@H]1c1ccccc1F	ZINC001079298846	902406286	/nfs/dbraw/zinc/40/62/86/902406286.db2.gz	JOAFRKJYPXWPGZ-WMLDXEAASA-N	1	0	366.400	1.876	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(CC=C)nn2)C[C@H]1c1ccccc1F	ZINC001079314813	902408760	/nfs/dbraw/zinc/40/87/60/902408760.db2.gz	MMCWFJCVFIGEQY-DOTOQJQBSA-N	1	0	353.401	1.434	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCN(C(C)=O)C2)C[C@H]1c1ccccc1F	ZINC001079319939	902421411	/nfs/dbraw/zinc/42/14/11/902421411.db2.gz	XUZPZFRIIROOPE-VDZJLULYSA-N	1	0	359.445	1.764	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCN(C(C)=O)C2)C[C@H]1c1ccccc1F	ZINC001079319938	902422075	/nfs/dbraw/zinc/42/20/75/902422075.db2.gz	XUZPZFRIIROOPE-HHXXYDBFSA-N	1	0	359.445	1.764	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc(OCC)cn2)C[C@H]1c1ccccc1F	ZINC001079323516	902427754	/nfs/dbraw/zinc/42/77/54/902427754.db2.gz	UKOSMALIAMLFSP-MAUKXSAKSA-N	1	0	368.412	1.845	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nn(CC)nc2C)C[C@H]1c1ccccc1F	ZINC001079322858	902427783	/nfs/dbraw/zinc/42/77/83/902427783.db2.gz	ANOPXLQLIIBVCD-DOTOQJQBSA-N	1	0	355.417	1.577	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2nc(C)no2)C[C@H]1c1ccccc1F	ZINC001079305294	902436417	/nfs/dbraw/zinc/43/64/17/902436417.db2.gz	VWXXWMPARQKBPE-DOTOQJQBSA-N	1	0	356.401	1.667	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+][C@@H]2CCNC2=O)C1	ZINC001079306438	902438961	/nfs/dbraw/zinc/43/89/61/902438961.db2.gz	RFYRQQRBEHTJCD-USXIJHARSA-N	1	0	359.445	1.810	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21	ZINC001084409225	914637864	/nfs/dbraw/zinc/63/78/64/914637864.db2.gz	PTPOHTSELLQRRG-ZHALLVOQSA-N	1	0	370.497	1.737	20	30		FDEDRO
C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1C)n1cccn1	ZINC001079439153	902604179	/nfs/dbraw/zinc/60/41/79/902604179.db2.gz	VEHGPCXPQFLRIR-GPMSIDNRSA-N	1	0	367.453	1.983	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)C[C@H]1CCOC1	ZINC001079514511	902741731	/nfs/dbraw/zinc/74/17/31/902741731.db2.gz	SPKLJAPAOIMOPZ-SZVBFZGTSA-N	1	0	357.454	1.952	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@H]1CCNC(=O)C1	ZINC001079558921	902799339	/nfs/dbraw/zinc/79/93/39/902799339.db2.gz	PPXWNCAFIWALPM-UWWQBHOKSA-N	1	0	370.453	1.052	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H](O)Cc2ccc(F)cc2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC001079590068	902870064	/nfs/dbraw/zinc/87/00/64/902870064.db2.gz	VBSXJJFZJYTQIH-OMWUSAIZSA-N	1	0	370.428	1.679	20	30		FDEDRO
CC(C)N1C[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)CC1=O	ZINC001079796514	903350320	/nfs/dbraw/zinc/35/03/20/903350320.db2.gz	JZICFXHHTORGFJ-ATZDWAIDSA-N	1	0	368.481	1.752	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cnn2ccncc12	ZINC001079858031	903536280	/nfs/dbraw/zinc/53/62/80/903536280.db2.gz	SONNEQGOHMVZGH-RDTXWAMCSA-N	1	0	360.421	1.851	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001079860926	903552323	/nfs/dbraw/zinc/55/23/23/903552323.db2.gz	FHBKYQFQYNXHKB-BPQIPLTHSA-N	1	0	365.518	1.757	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]([NH2+]CCc2cnn(CC)c2)C(C)(C)C1	ZINC000996332038	903714676	/nfs/dbraw/zinc/71/46/76/903714676.db2.gz	XGAFRPRCWPVULD-SQNIBIBYSA-N	1	0	360.502	1.863	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@H]1CCCC(=O)N1	ZINC001079922070	903718174	/nfs/dbraw/zinc/71/81/74/903718174.db2.gz	DHWZMTNPCSIDGO-ZTFGCOKTSA-N	1	0	370.453	1.194	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC001079951401	903751729	/nfs/dbraw/zinc/75/17/29/903751729.db2.gz	LCMFQUSSJOPCQU-OHDICMOHSA-N	1	0	356.470	1.214	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]([NH2+]CCn2cncn2)C(C)(C)C1	ZINC000996395478	903842020	/nfs/dbraw/zinc/84/20/20/903842020.db2.gz	RFDDUGLREMMAOC-ULQDDVLXSA-N	1	0	361.490	1.476	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@H]2C)cc1	ZINC001079977805	903878388	/nfs/dbraw/zinc/87/83/88/903878388.db2.gz	KHWXCPXCINKNKC-ATZDWAIDSA-N	1	0	371.481	1.922	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)CN1CCCCC1=O	ZINC001080030748	903923617	/nfs/dbraw/zinc/92/36/17/903923617.db2.gz	SGAKDGPRBJHHEK-CRAIPNDOSA-N	1	0	354.454	1.507	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)COC)CCC[C@@H]12	ZINC001107243720	904110053	/nfs/dbraw/zinc/11/00/53/904110053.db2.gz	HBQGRHYXLXRUBD-VQIMIIECSA-N	1	0	351.491	1.418	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](O)C1	ZINC001083783389	904134909	/nfs/dbraw/zinc/13/49/09/904134909.db2.gz	POFGJDQWJYWFDM-SJORKVTESA-N	1	0	351.878	1.318	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(Cl)c[nH]3)CCC[C@@H]12	ZINC001107275706	904261618	/nfs/dbraw/zinc/26/16/18/904261618.db2.gz	BEQQMQDGYVKALL-RHSMWYFYSA-N	1	0	363.849	1.282	20	30		FDEDRO
N#Cc1ccccc1C[N@@H+]1CC[C@@]2(CNC(=O)CNC(N)=O)CCC[C@@H]12	ZINC001107276871	904266577	/nfs/dbraw/zinc/26/65/77/904266577.db2.gz	HEFKKXAEKCBQHA-VQIMIIECSA-N	1	0	355.442	1.087	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3c(C)noc3C)CCC[C@@H]12	ZINC001107273845	904292385	/nfs/dbraw/zinc/29/23/85/904292385.db2.gz	DPZIXUFTOBTWJQ-DNVCBOLYSA-N	1	0	358.442	1.015	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccccc3O)CCC[C@@H]12	ZINC001107284741	904330012	/nfs/dbraw/zinc/33/00/12/904330012.db2.gz	GZQWUTPCOMBDTQ-YLJYHZDGSA-N	1	0	357.454	1.669	20	30		FDEDRO
CC(=O)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccc(C#N)c1)CC2	ZINC001107291212	904365060	/nfs/dbraw/zinc/36/50/60/904365060.db2.gz	PBLWTXWCWGXNAY-TZIWHRDSSA-N	1	0	368.481	1.897	20	30		FDEDRO
COC(=O)NCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2	ZINC001107303468	904388855	/nfs/dbraw/zinc/38/88/55/904388855.db2.gz	XRJOVJQYHMVTLH-WIYYLYMNSA-N	1	0	369.465	1.755	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)OCCC=C)CCC[C@@H]12	ZINC001107318200	904443551	/nfs/dbraw/zinc/44/35/51/904443551.db2.gz	JYGWTRIOPLVCSA-MBOZVWFJSA-N	1	0	361.486	1.078	20	30		FDEDRO
C=CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H](O)COCCOC)CC2	ZINC001107327312	904485731	/nfs/dbraw/zinc/48/57/31/904485731.db2.gz	XVGPWYQSEDKSKB-YQVWRLOYSA-N	1	0	354.491	1.337	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@@H]1CCNC(=O)CC1)CC2	ZINC001107329099	904492697	/nfs/dbraw/zinc/49/26/97/904492697.db2.gz	IFZRARHPVRXEEE-SQGPQFPESA-N	1	0	363.502	1.466	20	30		FDEDRO
C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccc1C)CC2	ZINC001107366598	904572360	/nfs/dbraw/zinc/57/23/60/904572360.db2.gz	LUXUFWIPBUBZQW-DENIHFKCSA-N	1	0	367.493	1.995	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3COC(=O)C3)CCC[C@@H]12	ZINC001107359167	904582649	/nfs/dbraw/zinc/58/26/49/904582649.db2.gz	FRGNDQJWQFFJBP-FRQCXROJSA-N	1	0	350.459	1.503	20	30		FDEDRO
C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC[C@H]1CCCO1)CC2	ZINC001107374258	904604465	/nfs/dbraw/zinc/60/44/65/904604465.db2.gz	MYLUZSLRCJPDGP-MBOZVWFJSA-N	1	0	361.486	1.056	20	30		FDEDRO
C#CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCNS(=O)(=O)CC)CC2	ZINC001107383640	904656521	/nfs/dbraw/zinc/65/65/21/904656521.db2.gz	AFDCBLHJCDONRE-SJLPKXTDSA-N	1	0	369.531	1.090	20	30		FDEDRO
COc1nccc(C[N@@H+]2CC[C@@]3(CNC(=O)C#CC4CC4)CCC[C@@H]23)n1	ZINC001107398438	904724892	/nfs/dbraw/zinc/72/48/92/904724892.db2.gz	VNCGOERTFZCLSF-YLJYHZDGSA-N	1	0	354.454	1.759	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCc1cnn(C)c1)CC2	ZINC001107402468	904739417	/nfs/dbraw/zinc/73/94/17/904739417.db2.gz	LTKPGQHDAXADOG-ILZDJORESA-N	1	0	358.486	1.362	20	30		FDEDRO
C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnc(C)cn1)CC2	ZINC001107402717	904739965	/nfs/dbraw/zinc/73/99/65/904739965.db2.gz	PVPZYHQIONFCMY-YVWKXTFCSA-N	1	0	356.470	1.684	20	30		FDEDRO
CCc1ccnc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)c1	ZINC001107415073	904826075	/nfs/dbraw/zinc/82/60/75/904826075.db2.gz	XRJXXRDKLPHROH-YLJYHZDGSA-N	1	0	369.469	1.258	20	30		FDEDRO
C=C(C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCNC(C)=O)CC2	ZINC001107424479	904832364	/nfs/dbraw/zinc/83/23/64/904832364.db2.gz	QAYVODOXLSESHX-UYAOXDASSA-N	1	0	365.518	1.856	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)CCNC(=O)c3ccncc3)CCC[C@@H]12	ZINC001107425973	904844079	/nfs/dbraw/zinc/84/40/79/904844079.db2.gz	BAAZBVFRPSFDMY-YLJYHZDGSA-N	1	0	354.454	1.196	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3ccncn3)CCC[C@@H]12	ZINC001107426018	904844939	/nfs/dbraw/zinc/84/49/39/904844939.db2.gz	ZBFLMRYWSSJUCG-YLJYHZDGSA-N	1	0	371.485	1.072	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CCNC(=O)c3ccncc3)CCC[C@@H]12	ZINC001107426771	904851415	/nfs/dbraw/zinc/85/14/15/904851415.db2.gz	TYBLTMBQCMOXRQ-WIYYLYMNSA-N	1	0	368.481	1.586	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1OC	ZINC001081694075	904900317	/nfs/dbraw/zinc/90/03/17/904900317.db2.gz	IBFAYXXMKFLSIB-AKHDSKFASA-N	1	0	366.502	1.600	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2	ZINC001107436524	904904084	/nfs/dbraw/zinc/90/40/84/904904084.db2.gz	BKHFTVXYOQZPBL-UYAOXDASSA-N	1	0	361.486	1.657	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCOCC)CC2	ZINC001107440921	904926087	/nfs/dbraw/zinc/92/60/87/904926087.db2.gz	BQUYZSRXJKQOHI-QKNQBKEWSA-N	1	0	361.530	1.871	20	30		FDEDRO
CO[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001081691885	904938691	/nfs/dbraw/zinc/93/86/91/904938691.db2.gz	WXDVGEANAHFZAL-UTRMSSBJSA-N	1	0	356.470	1.214	20	30		FDEDRO
CCOc1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC#CCOC)CC3)[nH]n1	ZINC001107446099	904953699	/nfs/dbraw/zinc/95/36/99/904953699.db2.gz	ATSLKRQDKINFCD-VQIMIIECSA-N	1	0	360.458	1.433	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCn4cncc4C3)CCC[C@@H]12	ZINC001107455035	905014982	/nfs/dbraw/zinc/01/49/82/905014982.db2.gz	VJKLYVPFFXILFC-FBBABVLZSA-N	1	0	370.497	1.456	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc(Br)n[nH]2)[C@H](OC)C1	ZINC001081756610	905035114	/nfs/dbraw/zinc/03/51/14/905035114.db2.gz	RRVJSNBNIAILKZ-VXGBXAGGSA-N	1	0	357.252	1.567	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cncc(CC)c3)CCC[C@@H]12	ZINC001107470479	905091511	/nfs/dbraw/zinc/09/15/11/905091511.db2.gz	VIKSUGPBSRCSQJ-WIYYLYMNSA-N	1	0	368.481	1.368	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3ccon3)CCC[C@@H]12	ZINC001107473310	905123002	/nfs/dbraw/zinc/12/30/02/905123002.db2.gz	NKTOMWWAXBPOMF-VQIMIIECSA-N	1	0	360.458	1.270	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3coc(C(N)=O)c3)CCC[C@@H]12	ZINC001107485017	905159950	/nfs/dbraw/zinc/15/99/50/905159950.db2.gz	FKVOOYOPUPSIAF-VQIMIIECSA-N	1	0	361.442	1.556	20	30		FDEDRO
CCc1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC#CCOC)CC3)c(C)nn1	ZINC001107482384	905181041	/nfs/dbraw/zinc/18/10/41/905181041.db2.gz	KOPZFKLJWUQZQD-TZIWHRDSSA-N	1	0	370.497	1.972	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)CCc3nc(C)no3)CCC[C@@H]12	ZINC001107494537	905193507	/nfs/dbraw/zinc/19/35/07/905193507.db2.gz	NCVXCYHPDDMCIK-VQIMIIECSA-N	1	0	362.474	1.874	20	30		FDEDRO
C=CC(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCCOCC)CC2	ZINC001107495790	905201226	/nfs/dbraw/zinc/20/12/26/905201226.db2.gz	WICCDZUDXFYZMM-OXQOHEQNSA-N	1	0	365.518	1.712	20	30		FDEDRO
C=CC(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCNC(C)=O)CC2	ZINC001107503372	905260613	/nfs/dbraw/zinc/26/06/13/905260613.db2.gz	YPUAJBAAQSXHCA-YLJYHZDGSA-N	1	0	365.518	1.712	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(N(CC)C(=O)CCC[NH+](C)C)C1	ZINC001080384221	905293833	/nfs/dbraw/zinc/29/38/33/905293833.db2.gz	PACLNCWLTHCRDK-HKUYNNGSSA-N	1	0	365.518	1.759	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCCF)CCC[C@@H]12	ZINC001107508150	905296299	/nfs/dbraw/zinc/29/62/99/905296299.db2.gz	XZUFZOAPCMMAGR-RDTXWAMCSA-N	1	0	368.453	1.109	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2ncc3cc(C)cnc32)[C@H](OC)C1	ZINC001081951895	905351245	/nfs/dbraw/zinc/35/12/45/905351245.db2.gz	KAEJOXAUUDXMKP-IAGOWNOFSA-N	1	0	357.458	1.521	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCOCCOC)CC3)c1	ZINC001107538310	905435519	/nfs/dbraw/zinc/43/55/19/905435519.db2.gz	LSFUOHYTHWAXAX-TZIWHRDSSA-N	1	0	371.481	1.700	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2CC2CCC2)[C@H](OC)C1	ZINC001081985072	905474424	/nfs/dbraw/zinc/47/44/24/905474424.db2.gz	COYYQUQZJJUFON-CEXWTWQISA-N	1	0	365.518	1.269	20	30		FDEDRO
C#CCCN1CC[NH+](C2CCC(NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)CC1	ZINC000996787774	905486556	/nfs/dbraw/zinc/48/65/56/905486556.db2.gz	SYYZNSSTURJNSP-LHBDJYESSA-N	1	0	373.541	1.870	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCC([NH+]2CCN(CC#N)CC2)CC1	ZINC000996795093	905510868	/nfs/dbraw/zinc/51/08/68/905510868.db2.gz	INZBYIMGPGDKHI-BTRQGYIVSA-N	1	0	360.502	1.536	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)NS(C)(=O)=O)CCC[C@@H]12	ZINC001107559049	905613451	/nfs/dbraw/zinc/61/34/51/905613451.db2.gz	WXVABYCHDJSZLZ-BFYDXBDKSA-N	1	0	357.520	1.251	20	30		FDEDRO
C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)Nc1cncc(C#N)n1	ZINC001098288297	905644646	/nfs/dbraw/zinc/64/46/46/905644646.db2.gz	JEALHOONEDGODF-OLMNPRSZSA-N	1	0	364.453	1.610	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3cscn3)CCC[C@@H]12	ZINC001107569585	905690148	/nfs/dbraw/zinc/69/01/48/905690148.db2.gz	DRZRBVVUMLMTIR-CRAIPNDOSA-N	1	0	362.499	1.349	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C(=O)NCc3ccc(F)cc3)CCC[C@@H]12	ZINC001107572622	905708205	/nfs/dbraw/zinc/70/82/05/905708205.db2.gz	IMVNCPRKWNXXMG-WIYYLYMNSA-N	1	0	371.456	1.826	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@H]2C)nn1	ZINC001080580162	905736438	/nfs/dbraw/zinc/73/64/38/905736438.db2.gz	LTOUZZGRRSFPSI-QGPMSJSTSA-N	1	0	355.442	1.248	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc(C)nc3C)CCC[C@@H]12	ZINC001107581666	905794023	/nfs/dbraw/zinc/79/40/23/905794023.db2.gz	ICOWWRKBRNRXRE-UYAOXDASSA-N	1	0	356.470	1.718	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)C3CCCCC3)C[C@H]2OC)c1	ZINC001082117270	905829881	/nfs/dbraw/zinc/82/98/81/905829881.db2.gz	VXPXKXUYPYRKTH-VAMGGRTRSA-N	1	0	371.481	1.433	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)S(=O)(=O)CC)CCC[C@@H]12	ZINC001107596186	905853169	/nfs/dbraw/zinc/85/31/69/905853169.db2.gz	XZUGOVLLQPMJCK-NVXWUHKLSA-N	1	0	357.520	1.205	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)CCn3cnccc3=O)CCC[C@@H]12	ZINC001107593825	905876669	/nfs/dbraw/zinc/87/66/69/905876669.db2.gz	YRGQQALSUFHDDH-CRAIPNDOSA-N	1	0	364.877	1.747	20	30		FDEDRO
COCCC(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107594276	905880124	/nfs/dbraw/zinc/88/01/24/905880124.db2.gz	IGCNIKIBXHVWDO-DNVCBOLYSA-N	1	0	364.490	1.050	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)c3ccco3)CCC[C@@H]12	ZINC001107610009	905967697	/nfs/dbraw/zinc/96/76/97/905967697.db2.gz	MEZVCFTZZCPFKU-HGHGUNKESA-N	1	0	371.481	1.883	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cccn(C)c3=O)CCC[C@@H]12	ZINC001107612769	905982926	/nfs/dbraw/zinc/98/29/26/905982926.db2.gz	HUHQJGUIGZRGAN-YLJYHZDGSA-N	1	0	357.454	1.010	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)CN3C(=O)CN(C)C3=O)CCC[C@@H]12	ZINC001107626345	906046118	/nfs/dbraw/zinc/04/61/18/906046118.db2.gz	ZWYNAMFUGAPJQO-DNVCBOLYSA-N	1	0	362.474	1.207	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3nc4ncccn4n3)CCC[C@@H]12	ZINC001107632269	906081606	/nfs/dbraw/zinc/08/16/06/906081606.db2.gz	ZNPKCEOZCWDHJT-DNVCBOLYSA-N	1	0	352.442	1.051	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)[C@]34C[C@H]3CCCC4)C2)cc1F	ZINC001077643488	906094318	/nfs/dbraw/zinc/09/43/18/906094318.db2.gz	FCJASCHRZHQSOG-DLVXIWMQSA-N	1	0	357.429	1.939	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)NC(=O)NCC=C)CCC[C@@H]12	ZINC001107645459	906172966	/nfs/dbraw/zinc/17/29/66/906172966.db2.gz	ZTAJXMUDVGJBGV-OXQOHEQNSA-N	1	0	360.502	1.634	20	30		FDEDRO
COc1c(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)cnn1C	ZINC001080857386	906468149	/nfs/dbraw/zinc/46/81/49/906468149.db2.gz	SBGODOJVLWZDBV-CXAGYDPISA-N	1	0	353.426	1.551	20	30		FDEDRO
CC(=O)N1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2C)C1	ZINC001080860643	906477388	/nfs/dbraw/zinc/47/73/88/906477388.db2.gz	TYDUWGZNJNKYNC-NIKGAXFTSA-N	1	0	354.454	1.363	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001080877618	906562858	/nfs/dbraw/zinc/56/28/58/906562858.db2.gz	FGORSFHNCVQAHK-GVDBMIGSSA-N	1	0	365.518	1.399	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1	ZINC001082301685	906675297	/nfs/dbraw/zinc/67/52/97/906675297.db2.gz	XPCCWRJHMQYXMF-BBWFWOEESA-N	1	0	363.502	1.417	20	30		FDEDRO
CC[C@@H]1C[C@H]1C(=O)NCc1cccc(N2CC[C@H]([NH2+]CC#CCOC)C2)n1	ZINC001127845781	906715974	/nfs/dbraw/zinc/71/59/74/906715974.db2.gz	KZYXMHAZVOLZLL-NZSAHSFTSA-N	1	0	370.497	1.562	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C(=O)N(C)C)c2)[C@H](OC)C1	ZINC001082330818	906797486	/nfs/dbraw/zinc/79/74/86/906797486.db2.gz	LLNOJWDMHXONLL-QZTJIDSGSA-N	1	0	359.470	1.784	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCC(F)(F)C3)C[C@H]2OC)cn1	ZINC001082333968	906830064	/nfs/dbraw/zinc/83/00/64/906830064.db2.gz	LDYCBWNRPLEHIX-IAOVAPTHSA-N	1	0	363.408	1.927	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001082326468	906906855	/nfs/dbraw/zinc/90/68/55/906906855.db2.gz	FCDQEMTWOYWZEG-IPMKNSEASA-N	1	0	356.470	1.215	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2cc3n(n2)CCCC3)CC1	ZINC000997012818	906929187	/nfs/dbraw/zinc/92/91/87/906929187.db2.gz	WRTPRDWKDNOZHJ-MOPGFXCFSA-N	1	0	358.486	1.891	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@H]1O	ZINC001077699168	906969166	/nfs/dbraw/zinc/96/91/66/906969166.db2.gz	VNOPAAYHQGRNHS-WTGUMLROSA-N	1	0	372.465	1.012	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3cnc(C)nc3)C[C@H]2C)CC1	ZINC001080997560	906970871	/nfs/dbraw/zinc/97/08/71/906970871.db2.gz	FGZKNEXHEWNYQM-DNVCBOLYSA-N	1	0	355.486	1.067	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)C(F)F)C[C@H]2c2ccccc2)C1=O	ZINC001081074696	907174184	/nfs/dbraw/zinc/17/41/84/907174184.db2.gz	OAWRNHQOWATYSM-HRCADAONSA-N	1	0	363.408	1.623	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)N2C(=O)CCC2=O)C[C@H]1c1ccccc1	ZINC001081123329	907182865	/nfs/dbraw/zinc/18/28/65/907182865.db2.gz	MTXIQEMXLOOAPO-BHYGNILZSA-N	1	0	355.438	1.294	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cn(CCOC)nn2)C[C@H]1c1ccccc1	ZINC001081114910	907214354	/nfs/dbraw/zinc/21/43/54/907214354.db2.gz	MQTLHTHNGSPUKZ-ZWKOTPCHSA-N	1	0	369.469	1.698	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nnnn2CCC)CC1	ZINC000997084381	907214705	/nfs/dbraw/zinc/21/47/05/907214705.db2.gz	MMYAJVAMRJKVLF-RDJZCZTQSA-N	1	0	362.478	1.145	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1c1ccccc1	ZINC001081125469	907223356	/nfs/dbraw/zinc/22/33/56/907223356.db2.gz	BSRVXYOSLFEIKX-IXDOHACOSA-N	1	0	361.873	1.849	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nnc3ccccc3n2)C[C@H]1c1ccccc1	ZINC001081146320	907256431	/nfs/dbraw/zinc/25/64/31/907256431.db2.gz	FOYFTIKPYHGLJA-QFBILLFUSA-N	1	0	357.417	1.856	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc3c(cn2)OCCO3)C[C@H]1c1ccccc1	ZINC001081126747	907309476	/nfs/dbraw/zinc/30/94/76/907309476.db2.gz	BWYTVQXZRGQOKG-FUHWJXTLSA-N	1	0	363.417	1.684	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+][C@@H](C)C(N)=O)C2)nc1	ZINC001081215682	907324828	/nfs/dbraw/zinc/32/48/28/907324828.db2.gz	RGJZQLZLPYFZKO-UCLAIMLFSA-N	1	0	362.433	1.135	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@H]1c1ccccc1	ZINC001081196802	907378088	/nfs/dbraw/zinc/37/80/88/907378088.db2.gz	FQGQFTIWQVNJHP-YESZJQIVSA-N	1	0	361.873	1.992	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3cccnc3C)C[C@H]2OC)CC1	ZINC001082384197	907388459	/nfs/dbraw/zinc/38/84/59/907388459.db2.gz	IJBDKDRGQWOFHM-WOJBJXKFSA-N	1	0	370.497	1.051	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2cnn(C)c2)C[C@H]1c1ccccc1	ZINC001081204856	907393005	/nfs/dbraw/zinc/39/30/05/907393005.db2.gz	GOSGZZFOWBFNPL-LSTHTHJFSA-N	1	0	350.466	1.816	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](c2cccnc2)N(C)C)C[C@H]1c1ccccc1	ZINC001081232040	907431771	/nfs/dbraw/zinc/43/17/71/907431771.db2.gz	VZKNKGPREGJBON-PWRODBHTSA-N	1	0	362.477	1.902	20	30		FDEDRO
C#CCC[NH2+]Cc1ccncc1O[C@H]1CCN(C(=O)[C@H]2OCC[C@H]2C)C1	ZINC001127898402	907586063	/nfs/dbraw/zinc/58/60/63/907586063.db2.gz	PRNNKVGLFZINGI-AYBZRNKSSA-N	1	0	357.454	1.599	20	30		FDEDRO
O=S(=O)(c1ccccc1N=NC1CC[N@@H+]2CCC[C@H]12)N1CCOCC1	ZINC000765582717	907700830	/nfs/dbraw/zinc/70/08/30/907700830.db2.gz	YVFNTBVDCSTCPJ-MRXNPFEDSA-N	1	0	364.471	1.344	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cc(C)n[nH]3)C[C@H]2C)cc1C#N	ZINC001082436912	907756662	/nfs/dbraw/zinc/75/66/62/907756662.db2.gz	CHJLAITYOVKJEO-SJKOYZFVSA-N	1	0	353.426	1.849	20	30		FDEDRO
Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)nn1C	ZINC001082438585	907766307	/nfs/dbraw/zinc/76/63/07/907766307.db2.gz	NTNWGPAGGNQMPZ-AUUYWEPGSA-N	1	0	367.453	1.881	20	30		FDEDRO
Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)n(C)n1	ZINC001082440326	907776259	/nfs/dbraw/zinc/77/62/59/907776259.db2.gz	XOVOWUXREGZGSR-SJKOYZFVSA-N	1	0	355.417	1.990	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1[NH2+][C@H]1CCN(C2CCC2)C1=O	ZINC001082464905	907899643	/nfs/dbraw/zinc/89/96/43/907899643.db2.gz	QFXJEFGHNOGNHV-ISTRZQFTSA-N	1	0	355.442	1.090	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc[nH]c(=O)c2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082471750	907918699	/nfs/dbraw/zinc/91/86/99/907918699.db2.gz	NYGLOMKNMUCXFT-RDTXWAMCSA-N	1	0	366.421	1.940	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]Cc1ccnc(N(C)C)c1	ZINC001082480152	907947859	/nfs/dbraw/zinc/94/78/59/907947859.db2.gz	IYXMPPZASCYLPL-CXAGYDPISA-N	1	0	352.442	1.598	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]CC(=O)N1CCC[C@@H](C)C1	ZINC001082480287	907948776	/nfs/dbraw/zinc/94/87/76/907948776.db2.gz	WBCZWMNXZVLAOC-CKEIUWERSA-N	1	0	357.458	1.195	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)o1	ZINC001082499066	908078577	/nfs/dbraw/zinc/07/85/77/908078577.db2.gz	MQWQVPISNWFZBV-BDJLRTHQSA-N	1	0	357.389	1.568	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3n[nH]cc3C)C[C@H]2C)cc1C#N	ZINC001082504409	908112806	/nfs/dbraw/zinc/11/28/06/908112806.db2.gz	RRVPDADGLCRCRF-CZUORRHYSA-N	1	0	353.426	1.849	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)o1	ZINC001082504743	908115710	/nfs/dbraw/zinc/11/57/10/908115710.db2.gz	DPEHSBYTHBNMSC-IUODEOHRSA-N	1	0	350.440	1.033	20	30		FDEDRO
COc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)ncn1	ZINC001082515024	908180436	/nfs/dbraw/zinc/18/04/36/908180436.db2.gz	VHXKOXLWMNOJOL-SJKOYZFVSA-N	1	0	369.400	1.746	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cn(C3CCC3)nn2)C[C@H]1C	ZINC001082516362	908189872	/nfs/dbraw/zinc/18/98/72/908189872.db2.gz	FZGAKJWJBAASJJ-ZWNOBZJWSA-N	1	0	368.279	1.962	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3cc(C)ccc3C)C[C@H]2O)nn1	ZINC001077801057	908296566	/nfs/dbraw/zinc/29/65/66/908296566.db2.gz	AMVWPTLOVRBOAH-SZVBFZGTSA-N	1	0	369.469	1.617	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)C(C)(C)C(=C)Cl)C[C@H]2C)C1=O	ZINC001082533736	908302272	/nfs/dbraw/zinc/30/22/72/908302272.db2.gz	XQBWCLREOFCGDR-BPLDGKMQSA-N	1	0	353.894	1.989	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cocc2C)CC1	ZINC000997357986	908328311	/nfs/dbraw/zinc/32/83/11/908328311.db2.gz	SQFZJYPCVBWINV-NEWSRXKRSA-N	1	0	369.465	1.795	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC001082578760	908763183	/nfs/dbraw/zinc/76/31/83/908763183.db2.gz	HNXGPMBIVHSQNE-MEBBXXQBSA-N	1	0	357.389	1.685	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](CNC(=O)C[NH+](CC)CC)CC1	ZINC001060848797	908869954	/nfs/dbraw/zinc/86/99/54/908869954.db2.gz	CPWKBEZXTGQUHT-TVFCKZIOSA-N	1	0	365.518	1.711	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082583507	908886529	/nfs/dbraw/zinc/88/65/29/908886529.db2.gz	XYNLRCNSIYEGPI-BDJLRTHQSA-N	1	0	355.373	1.443	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3ccnc3C2)C[C@H]1C	ZINC001082604019	908921617	/nfs/dbraw/zinc/92/16/17/908921617.db2.gz	YYTIJZVZDLICIS-KWCYVHTRSA-N	1	0	367.291	1.791	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCc3cncn3C2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082604675	908928075	/nfs/dbraw/zinc/92/80/75/908928075.db2.gz	XNIZQXQQBUFXCU-MOXGXCLJSA-N	1	0	363.465	1.954	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)cc1	ZINC001082600446	908963299	/nfs/dbraw/zinc/96/32/99/908963299.db2.gz	XHBRGMFTGHLYBS-KBRIMQKVSA-N	1	0	371.437	1.107	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082611479	909007126	/nfs/dbraw/zinc/00/71/26/909007126.db2.gz	JETQCAZSWRNLNV-HACGYAERSA-N	1	0	358.417	1.160	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1OC)OCC	ZINC001212355011	909073475	/nfs/dbraw/zinc/07/34/75/909073475.db2.gz	QCZWCLNLLYFLFO-KZNAEPCWSA-N	1	0	364.490	1.149	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnc3nccn3c2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082644705	909296218	/nfs/dbraw/zinc/29/62/18/909296218.db2.gz	BBYAWDWZIADXJH-MLGOLLRUSA-N	1	0	366.450	1.913	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccc(C)c(C)n3)C[C@H]2C)C1=O	ZINC001082646089	909309609	/nfs/dbraw/zinc/30/96/09/909309609.db2.gz	SZSXPWQENXIRAH-ZTFGCOKTSA-N	1	0	356.470	1.535	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082662531	909391459	/nfs/dbraw/zinc/39/14/59/909391459.db2.gz	HPYNGKMAOKWZMG-QMTHXVAHSA-N	1	0	358.423	1.562	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1C	ZINC001082658840	909428419	/nfs/dbraw/zinc/42/84/19/909428419.db2.gz	AQLPYNJXMBOKQD-DGCLKSJQSA-N	1	0	355.280	1.698	20	30		FDEDRO
COc1nc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)co1	ZINC001082667225	909467825	/nfs/dbraw/zinc/46/78/25/909467825.db2.gz	INNCTXQSODXTRI-IAQYHMDHSA-N	1	0	358.373	1.944	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCc2cccc(F)c2)C[C@@H]1O	ZINC001083790008	909510379	/nfs/dbraw/zinc/51/03/79/909510379.db2.gz	JYWHBLQUPBYDMU-YRXWBPOGSA-N	1	0	362.445	1.511	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082692781	909633062	/nfs/dbraw/zinc/63/30/62/909633062.db2.gz	PXXRAOAPKFUNNL-ZTFGCOKTSA-N	1	0	370.453	1.004	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[NH2+][C@H]2CCCN(C)C2=O)CC1	ZINC000997782560	909689679	/nfs/dbraw/zinc/68/96/79/909689679.db2.gz	XAIASZWABSTJNN-SQNIBIBYSA-N	1	0	363.502	1.417	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cnc(C)n3C)C[C@H]2C)cc1C#N	ZINC001082705497	909716207	/nfs/dbraw/zinc/71/62/07/909716207.db2.gz	HAHHTRINQBYDPL-CXAGYDPISA-N	1	0	367.453	1.859	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccc(C#N)s2)CC1	ZINC000997832855	909791914	/nfs/dbraw/zinc/79/19/14/909791914.db2.gz	XNCDWADLCSISFZ-GUYCJALGSA-N	1	0	363.483	1.752	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCS(=O)(=O)CC2)C1	ZINC001082721983	909829958	/nfs/dbraw/zinc/82/99/58/909829958.db2.gz	RWKQSHDLFNRRBA-KYJSFNMBSA-N	1	0	356.532	1.850	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3occc3Cl)C[C@H]2C)C1=O	ZINC001082724394	909838625	/nfs/dbraw/zinc/83/86/25/909838625.db2.gz	FIQFRGTZQLNMPG-KWCYVHTRSA-N	1	0	351.834	1.770	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCn3cc(Cl)cn3)C2)c1	ZINC001082730386	909866950	/nfs/dbraw/zinc/86/69/50/909866950.db2.gz	RODJSOKZSGLTHT-CXAGYDPISA-N	1	0	357.845	1.663	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C(N)=O)co2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082734793	909903022	/nfs/dbraw/zinc/90/30/22/909903022.db2.gz	YUXRNUZZXFIHTA-MLGOLLRUSA-N	1	0	352.394	1.500	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@]3(C)CCNC3=O)C[C@H]2C)cc1C#N	ZINC001082737559	909913410	/nfs/dbraw/zinc/91/34/10/909913410.db2.gz	DRNMXKIAZZROII-AUJRIZCKSA-N	1	0	370.453	1.030	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(OC)ns2)C1	ZINC001082751841	909998250	/nfs/dbraw/zinc/99/82/50/909998250.db2.gz	BIBYUGGHWXMBGI-NGFQHRJXSA-N	1	0	351.472	1.679	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccnc(N(C)C)c2)C1	ZINC001082752010	909999765	/nfs/dbraw/zinc/99/97/65/909999765.db2.gz	LLWGPHTYQIEQTI-DDBAPUKQSA-N	1	0	358.486	1.675	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccc4c(c3)CCO4)C[C@H]2C)C1=O	ZINC001082758653	910026251	/nfs/dbraw/zinc/02/62/51/910026251.db2.gz	JKSLXRHPBKLCII-FHLIZLRMSA-N	1	0	369.465	1.459	20	30		FDEDRO
COc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)c(C)nn1C	ZINC001082775558	910105269	/nfs/dbraw/zinc/10/52/69/910105269.db2.gz	DRXINYIULXRDCJ-CXAGYDPISA-N	1	0	367.453	1.859	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)nn1	ZINC001082792461	910197131	/nfs/dbraw/zinc/19/71/31/910197131.db2.gz	YBNBHLXNYAEHOZ-CXAGYDPISA-N	1	0	368.416	1.725	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cc(Cl)cn2)C1	ZINC001082799279	910218222	/nfs/dbraw/zinc/21/82/22/910218222.db2.gz	GJRKLUGUPBXNIG-XBVQOTNRSA-N	1	0	366.893	1.954	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(CC)n2)C[C@H]1C	ZINC001082813365	910274272	/nfs/dbraw/zinc/27/42/72/910274272.db2.gz	ZBJHXUJMAAFOJP-ZWNOBZJWSA-N	1	0	369.263	1.222	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc4c([nH]3)CCCC4)C[C@H]2C)C1=O	ZINC001082845760	910418004	/nfs/dbraw/zinc/41/80/04/910418004.db2.gz	JOCFSVBMSLDCIC-LSBZLQRGSA-N	1	0	370.497	1.731	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082861191	910489609	/nfs/dbraw/zinc/48/96/09/910489609.db2.gz	NMYARGZBPBWKOM-FZKQIMNGSA-N	1	0	355.417	1.610	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@@H]3CCNC(=O)CC3)C2)nc1	ZINC001082870235	910517294	/nfs/dbraw/zinc/51/72/94/910517294.db2.gz	JALXVQWOCZYJML-UWWQBHOKSA-N	1	0	354.454	1.029	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1	ZINC001082884921	910665008	/nfs/dbraw/zinc/66/50/08/910665008.db2.gz	QWSQMXDFNSMVKG-MBOZVWFJSA-N	1	0	367.493	1.563	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@H]2OC)CCOCC1	ZINC001212395663	910742362	/nfs/dbraw/zinc/74/23/62/910742362.db2.gz	JWWKRTMMKIGSMG-RCCFBDPRSA-N	1	0	364.486	1.191	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(NC(=O)c3ccoc3C)CC2)CC1	ZINC000727333798	910768953	/nfs/dbraw/zinc/76/89/53/910768953.db2.gz	YQAJOCLEXIXHMA-UHFFFAOYSA-N	1	0	357.454	1.654	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2snnc2C)C1=O	ZINC001085130268	921608119	/nfs/dbraw/zinc/60/81/19/921608119.db2.gz	GHQZAYCTTHOQJM-MCIONIFRSA-N	1	0	363.487	1.264	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082911477	910855411	/nfs/dbraw/zinc/85/54/11/910855411.db2.gz	BATDGXAIRIQQPP-CRAIPNDOSA-N	1	0	350.422	1.357	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1NC(=O)C1([NH+](C)C)CCC1	ZINC001212403060	911162353	/nfs/dbraw/zinc/16/23/53/911162353.db2.gz	AUXUUWLMAMTHAB-QZTJIDSGSA-N	1	0	356.470	1.358	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1	ZINC001212403755	911205167	/nfs/dbraw/zinc/20/51/67/911205167.db2.gz	ULXFSAOVPQQOLX-HZPDHXFCSA-N	1	0	362.499	1.419	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C	ZINC001212409598	911778213	/nfs/dbraw/zinc/77/82/13/911778213.db2.gz	ISKPHPVORBWUCJ-GUDVDZBRSA-N	1	0	356.470	1.214	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)nc1	ZINC000998951700	911903405	/nfs/dbraw/zinc/90/34/05/911903405.db2.gz	HEJAMGVCQVTUPP-NFBPCRFFSA-N	1	0	366.465	1.265	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[NH+]1CCCC1	ZINC000999019777	911974208	/nfs/dbraw/zinc/97/42/08/911974208.db2.gz	VGAMTZQIRXCVFR-AABGKKOBSA-N	1	0	365.477	1.554	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)CCc3cccc(OC)c3F)[C@H]2C1	ZINC001083100144	912013351	/nfs/dbraw/zinc/01/33/51/912013351.db2.gz	YEMDGVLPASSEME-FUHWJXTLSA-N	1	0	360.429	1.702	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CC[NH+](CC2)C3)cc1	ZINC000999071490	912025086	/nfs/dbraw/zinc/02/50/86/912025086.db2.gz	CBGYWFOYTDLAQJ-QYZOEREBSA-N	1	0	363.461	1.625	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)CC[N@@H+]1C	ZINC000946517301	912055334	/nfs/dbraw/zinc/05/53/34/912055334.db2.gz	BTAIPQGXJYXSBM-DLBZAZTESA-N	1	0	357.458	1.337	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4ccnc4)n3)[C@H]2C1	ZINC001083126945	912103401	/nfs/dbraw/zinc/10/34/01/912103401.db2.gz	RCGMHQREADABDR-DLBZAZTESA-N	1	0	353.426	1.369	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2ccccc2CN2C(=O)CNC2=O)CC1	ZINC000730110937	916158293	/nfs/dbraw/zinc/15/82/93/916158293.db2.gz	YTISYBFMUAVJJP-UHFFFAOYSA-N	1	0	371.441	1.510	20	30		FDEDRO
C=C(Br)CN1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1	ZINC001084773128	917022783	/nfs/dbraw/zinc/02/27/83/917022783.db2.gz	DKAHHGYQGGOEIQ-RBSFLKMASA-N	1	0	356.308	1.770	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCO1	ZINC001065210121	917210853	/nfs/dbraw/zinc/21/08/53/917210853.db2.gz	APNBBOIUABMDFU-IXDOHACOSA-N	1	0	365.518	1.663	20	30		FDEDRO
Cn1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(OCC#N)cc4)C[C@H]32)n1	ZINC001084830763	917511310	/nfs/dbraw/zinc/51/13/10/917511310.db2.gz	HKTGMPMEQKPZHD-VQIMIIECSA-N	1	0	365.437	1.669	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)NC2CC[NH+](CCCOC)CC2)cc1	ZINC000731129271	917775781	/nfs/dbraw/zinc/77/57/81/917775781.db2.gz	RYXLRYOEPPFBTP-UHFFFAOYSA-N	1	0	373.453	1.254	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cnc(C)cn4)C[C@@H]32)C1=O	ZINC001084883497	917967899	/nfs/dbraw/zinc/96/78/99/917967899.db2.gz	ZGXCUAOXISEHTR-JQHSSLGASA-N	1	0	369.469	1.108	20	30		FDEDRO
C#Cc1cccc(NC(=S)NC2CC[NH+](CCC(=O)N(C)C)CC2)c1	ZINC000731490596	918129043	/nfs/dbraw/zinc/12/90/43/918129043.db2.gz	OPOOEVWGRCMDOB-UHFFFAOYSA-N	1	0	358.511	1.897	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ccn(C)c4)C[C@@H]32)C1=O	ZINC001084919579	918316045	/nfs/dbraw/zinc/31/60/45/918316045.db2.gz	BAIVGBYSGMVFTK-SZMVWBNQSA-N	1	0	356.470	1.348	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4coc(C)c4)C[C@@H]32)C1=O	ZINC001084927702	918415042	/nfs/dbraw/zinc/41/50/42/918415042.db2.gz	NFJPAOCQZPVKEZ-JQHSSLGASA-N	1	0	357.454	1.911	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(OCC(N)=O)c3)C[C@@H]21	ZINC001084953634	918740196	/nfs/dbraw/zinc/74/01/96/918740196.db2.gz	ZRRIEDHJKKLEDQ-QAPCUYQASA-N	1	0	357.454	1.663	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3nc4ncc(C)cn4n3)C[C@@H]21	ZINC001084967151	918963481	/nfs/dbraw/zinc/96/34/81/918963481.db2.gz	OGMCIWMARJZPHF-CVEARBPZSA-N	1	0	354.458	1.935	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3COCCN3CC3CCC3)C[C@@H]21	ZINC001084998464	919388111	/nfs/dbraw/zinc/38/81/11/919388111.db2.gz	NWQOTOSUACEPOR-HSALFYBXSA-N	1	0	361.530	1.986	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CCNC4=O)C[C@@H]32)s1	ZINC001085005040	919503133	/nfs/dbraw/zinc/50/31/33/919503133.db2.gz	CZGATAPXXYFYOC-KCXAZCMYSA-N	1	0	358.467	1.179	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cnc(C)n4C)C[C@@H]32)C1=O	ZINC001085017107	919689304	/nfs/dbraw/zinc/68/93/04/919689304.db2.gz	HUOXEMODJTYKFH-JZXOWHBKSA-N	1	0	371.485	1.052	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NCC[N@@H+](C)CCCC)ccc1F	ZINC000732771899	920055187	/nfs/dbraw/zinc/05/51/87/920055187.db2.gz	QWCWBXRFIAAPBB-UHFFFAOYSA-N	1	0	371.478	1.752	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C)[C@@H]3c3cccnc3)C[C@@H]21	ZINC001085054058	920163503	/nfs/dbraw/zinc/16/35/03/920163503.db2.gz	HXVVUXGBCGBILO-HGKSCXNLSA-N	1	0	368.481	1.710	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cnn(C)c3)[C@H]2C1	ZINC001085054591	920168899	/nfs/dbraw/zinc/16/88/99/920168899.db2.gz	LFEOACXHCMJBDQ-XWSJACJDSA-N	1	0	358.486	1.824	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCC3)[C@H]2C1	ZINC001085054631	920169125	/nfs/dbraw/zinc/16/91/25/920169125.db2.gz	MPIPKLNBSIJBOA-DFEOGRTESA-N	1	0	361.486	1.123	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)C[C@@H]4CCC(=O)N4)C[C@@H]32)c1	ZINC001085055613	920182721	/nfs/dbraw/zinc/18/27/21/920182721.db2.gz	QTTXEPQOZQXISF-QYZOEREBSA-N	1	0	366.465	1.650	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4ccnc4)nn3)C[C@@H]21	ZINC001085056003	920192161	/nfs/dbraw/zinc/19/21/61/920192161.db2.gz	RVBYGOSOHPBWEQ-WBVHZDCISA-N	1	0	350.426	1.222	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnc(OCC4CC4)cn3)C[C@@H]21	ZINC001085073651	920514979	/nfs/dbraw/zinc/51/49/79/920514979.db2.gz	GXKXMFGCAJRYMW-AEFFLSMTSA-N	1	0	354.454	1.825	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nccnc4C)[C@H]3C2)cn1	ZINC001085078189	920540377	/nfs/dbraw/zinc/54/03/77/920540377.db2.gz	HLZNPALFJCEXHQ-UZLBHIALSA-N	1	0	361.449	1.898	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CCC(=O)N4)C[C@@H]32)s1	ZINC001085078819	920547204	/nfs/dbraw/zinc/54/72/04/920547204.db2.gz	OUWWZUHXTNSTSA-KCXAZCMYSA-N	1	0	358.467	1.321	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C(=O)N(C)C)c3)C[C@@H]21	ZINC001085077711	920580031	/nfs/dbraw/zinc/58/00/31/920580031.db2.gz	YPMUKHSQIBUEMX-APWZRJJASA-N	1	0	353.466	1.948	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@]3(C)CCS(=O)(=O)N3)C[C@@H]21	ZINC001085082774	920645589	/nfs/dbraw/zinc/64/55/89/920645589.db2.gz	CGEGULGECGEFMH-RYRKJORJSA-N	1	0	369.531	1.347	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(Cc4nocc4C)[C@H]3C2)CC1	ZINC001085100451	920914199	/nfs/dbraw/zinc/91/41/99/920914199.db2.gz	CLWZYRNWUJKJAX-XLIONFOSSA-N	1	0	370.497	1.751	20	30		FDEDRO
C#CCOc1ccc(C[NH2+]CCNS(=O)(=O)Cc2ccccc2)cc1	ZINC000733325574	920981509	/nfs/dbraw/zinc/98/15/09/920981509.db2.gz	RFYOICXINXBDJL-UHFFFAOYSA-N	1	0	358.463	1.908	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCN(C3CCC3)C2=O)c1	ZINC001085162259	921905336	/nfs/dbraw/zinc/90/53/36/921905336.db2.gz	JDBGIOKKJVQRAH-BRWVUGGUSA-N	1	0	369.469	1.670	20	30		FDEDRO
CC1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(C#N)c2)CC1	ZINC001085174782	921994258	/nfs/dbraw/zinc/99/42/58/921994258.db2.gz	UHTOIFBTTRRWCS-QZTJIDSGSA-N	1	0	371.485	1.775	20	30		FDEDRO
C=CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000282562578	922177269	/nfs/dbraw/zinc/17/72/69/922177269.db2.gz	JUQITTAOWJQBIB-INIZCTEOSA-N	1	0	371.489	1.413	20	30		FDEDRO
C=C(C)CCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001065225843	922207337	/nfs/dbraw/zinc/20/73/37/922207337.db2.gz	ARKVYFAOAVSGBK-YESZJQIVSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)CC1	ZINC001066216739	922609496	/nfs/dbraw/zinc/60/94/96/922609496.db2.gz	DXBZXJOMTUUFIZ-AOIWGVFYSA-N	1	0	365.518	1.805	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@@H](C)CC(=O)N1	ZINC001085202735	922670787	/nfs/dbraw/zinc/67/07/87/922670787.db2.gz	UILUSUBACKSPND-FMKGYKFTSA-N	1	0	372.307	1.827	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1nccn1	ZINC001085212020	922794487	/nfs/dbraw/zinc/79/44/87/922794487.db2.gz	DEVSJHAQGZNDCK-IAGOWNOFSA-N	1	0	368.441	1.376	20	30		FDEDRO
CN1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)s2)CC1=O	ZINC001085217147	922856002	/nfs/dbraw/zinc/85/60/02/922856002.db2.gz	PUPJHKPRLKSXIS-DAXOMENPSA-N	1	0	360.483	1.615	20	30		FDEDRO
N#Cc1cccc(CS(=O)(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1	ZINC000734244829	923124460	/nfs/dbraw/zinc/12/44/60/923124460.db2.gz	YQRZINHZNHIGIG-SFHVURJKSA-N	1	0	363.483	1.621	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccn2)CCC1N=Nc1ccc(S(N)(=O)=O)cn1	ZINC000734365869	923263410	/nfs/dbraw/zinc/26/34/10/923263410.db2.gz	WEUMPJOMZRPKCF-CYBMUJFWSA-N	1	0	374.470	1.434	20	30		FDEDRO
Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)s2)ncc1=O	ZINC001085279653	923464153	/nfs/dbraw/zinc/46/41/53/923464153.db2.gz	WFHGMWYSUXOSJW-HUUCEWRRSA-N	1	0	371.466	1.544	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCNC2=O)cc1F	ZINC001085297027	923622325	/nfs/dbraw/zinc/62/23/25/923622325.db2.gz	XTVGDUCAEMLPJY-DJIMGWMZSA-N	1	0	358.417	1.350	20	30		FDEDRO
CN1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)NC1=O	ZINC001085297478	923630727	/nfs/dbraw/zinc/63/07/27/923630727.db2.gz	IOLGLYMCJSBAKF-BRWVUGGUSA-N	1	0	355.442	1.099	20	30		FDEDRO
N#CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCNC2=O)cc1	ZINC001085295888	923653794	/nfs/dbraw/zinc/65/37/94/923653794.db2.gz	DSBLUSSVWYLNPT-KZNAEPCWSA-N	1	0	370.453	1.242	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2C(=O)CNC2=O)CC1	ZINC001085320346	923846475	/nfs/dbraw/zinc/84/64/75/923846475.db2.gz	SKPLMXCLGDQBLV-HZPDHXFCSA-N	1	0	362.474	1.302	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1nnc2c1CCCC2	ZINC001085334147	923966195	/nfs/dbraw/zinc/96/61/95/923966195.db2.gz	XUXYNQSUWXDPIM-ZIAGYGMSSA-N	1	0	351.882	1.926	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCC2)cc1	ZINC001085356456	924145551	/nfs/dbraw/zinc/14/55/51/924145551.db2.gz	YAVQHJJDNZGWBI-RTBURBONSA-N	1	0	369.465	1.562	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCOCC2)nn1	ZINC001085358643	924171643	/nfs/dbraw/zinc/17/16/43/924171643.db2.gz	LKMVZMIJYFRTQA-IAGOWNOFSA-N	1	0	361.490	1.911	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cncc(F)c2)nn1	ZINC001085357499	924186959	/nfs/dbraw/zinc/18/69/59/924186959.db2.gz	ZLUMCWUDTHYBIG-HZPDHXFCSA-N	1	0	358.421	1.829	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2nc[nH]n2)c1	ZINC001085388613	924386800	/nfs/dbraw/zinc/38/68/00/924386800.db2.gz	TVAOQWRPAYFQKC-HZPDHXFCSA-N	1	0	356.405	1.575	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCNC1=O	ZINC001085398579	924448070	/nfs/dbraw/zinc/44/80/70/924448070.db2.gz	NOKBJCSZKGQOJS-BRWVUGGUSA-N	1	0	370.453	1.003	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCc2ccnn2C)cn1	ZINC001085398921	924451168	/nfs/dbraw/zinc/45/11/68/924451168.db2.gz	HRFLHQKOYCDIFD-RTBURBONSA-N	1	0	351.454	1.670	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2Cc2ccc(OCC#N)cc2)CC[N@@H+]1C	ZINC001085604485	924968750	/nfs/dbraw/zinc/96/87/50/924968750.db2.gz	JLJZKOXHQCKFJW-YVWKXTFCSA-N	1	0	370.497	1.962	20	30		FDEDRO
C#CCSCC[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl	ZINC000740014498	925335071	/nfs/dbraw/zinc/33/50/71/925335071.db2.gz	JVZHIAYZPQSUIL-LBPRGKRZSA-N	1	0	361.920	1.661	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1	ZINC000740738388	925421991	/nfs/dbraw/zinc/42/19/91/925421991.db2.gz	CFZAHKXYECTOND-UHFFFAOYSA-N	1	0	367.409	1.998	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)CC1	ZINC001066361006	925738787	/nfs/dbraw/zinc/73/87/87/925738787.db2.gz	AFCWCRAVRPZVBY-AOIWGVFYSA-N	1	0	365.518	1.807	20	30		FDEDRO
COc1ccc(CCNN=C2CC[NH+](CCN3CCOCC3)CC2)cc1	ZINC000737439653	925806157	/nfs/dbraw/zinc/80/61/57/925806157.db2.gz	AVNPTLHFSWZJLA-UHFFFAOYSA-N	1	0	360.502	1.611	20	30		FDEDRO
CC[NH+](CC)CC1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1	ZINC000742393253	926039602	/nfs/dbraw/zinc/03/96/02/926039602.db2.gz	HLQVJBSTDWFUOV-UHFFFAOYSA-N	1	0	350.488	1.764	20	30		FDEDRO
C[NH+](C)C1(CNc2ccc(S(N)(=O)=O)cc2C#N)Cc2ccccc2C1	ZINC000742412112	926044939	/nfs/dbraw/zinc/04/49/39/926044939.db2.gz	IMFKXHFEJHUVMR-UHFFFAOYSA-N	1	0	370.478	1.717	20	30		FDEDRO
Cc1ccc(C/N=C2/NC(=O)C(CC(=O)NCCC[NH+](C)C)S2)cc1	ZINC000743276901	926307604	/nfs/dbraw/zinc/30/76/04/926307604.db2.gz	CJTISRIVVOFTSC-OAHLLOKOSA-N	1	0	362.499	1.541	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2c(C)nnn2CC)C1	ZINC001086223349	926353221	/nfs/dbraw/zinc/35/32/21/926353221.db2.gz	LXMKVRBMPACCPG-DFGXFYAUSA-N	1	0	361.490	1.572	20	30		FDEDRO
COC(=O)CC[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C1CCOCC1	ZINC000743871444	926482150	/nfs/dbraw/zinc/48/21/50/926482150.db2.gz	FJXYSYKXHQUAGH-KRWDZBQOSA-N	1	0	362.426	1.342	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1	ZINC000743894895	926497540	/nfs/dbraw/zinc/49/75/40/926497540.db2.gz	DBDLJBAYGBPOFU-CQSZACIVSA-N	1	0	361.417	1.767	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC001086390551	926979334	/nfs/dbraw/zinc/97/93/34/926979334.db2.gz	ZUNIBARKTLEVGG-GKEYINFOSA-N	1	0	361.417	1.486	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)CC1	ZINC001066547698	927506415	/nfs/dbraw/zinc/50/64/15/927506415.db2.gz	LBAFXSQFRFVIHX-ZACQAIPSSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2nnc(C)n2CCC)C1	ZINC001086480830	927517339	/nfs/dbraw/zinc/51/73/39/927517339.db2.gz	ATLRAVPKHQRKDN-VQHPVUNQSA-N	1	0	361.490	1.572	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1	ZINC000746184338	927651841	/nfs/dbraw/zinc/65/18/41/927651841.db2.gz	GNLWORDEQXWOSZ-UHFFFAOYSA-N	1	0	362.433	1.849	20	30		FDEDRO
C[NH+](C)CCOc1cccc(NC(=O)CCNC(=O)C2N=CC=CC2=O)c1	ZINC000746188904	927673389	/nfs/dbraw/zinc/67/33/89/927673389.db2.gz	KFOFKFNGRUYSHS-HNENSFHCSA-N	1	0	372.425	1.482	20	30		FDEDRO
CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000746191782	927674835	/nfs/dbraw/zinc/67/48/35/927674835.db2.gz	XPUZTTMVBGTYFQ-RAJOGRCSSA-N	1	0	362.474	1.674	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)N[C@@H](C#N)c2cccc(OC)c2OC)CC1	ZINC000746226597	927677200	/nfs/dbraw/zinc/67/72/00/927677200.db2.gz	ULMBGIZXZORNSB-INIZCTEOSA-N	1	0	360.458	1.412	20	30		FDEDRO
CCC(CC)[C@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)[NH+]1CCCC1	ZINC000746353361	927900544	/nfs/dbraw/zinc/90/05/44/927900544.db2.gz	DFZAQDZDZKTQRO-INIZCTEOSA-N	1	0	360.462	1.362	20	30		FDEDRO
C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCC(C#N)CC1	ZINC001169195712	928334132	/nfs/dbraw/zinc/33/41/32/928334132.db2.gz	MGFUTPPXADFIIE-CQSZACIVSA-N	1	0	372.473	1.228	20	30		FDEDRO
CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)CO1	ZINC001169404852	928507009	/nfs/dbraw/zinc/50/70/09/928507009.db2.gz	PVRLXWJFFQCOLR-IAGOWNOFSA-N	1	0	358.442	1.576	20	30		FDEDRO
CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)CO1	ZINC001169404853	928507490	/nfs/dbraw/zinc/50/74/90/928507490.db2.gz	PVRLXWJFFQCOLR-IRXDYDNUSA-N	1	0	358.442	1.576	20	30		FDEDRO
COc1cc(C#N)ccc1CONC(N)=C1C(=[NH2+])C2(CCCC2)N(C)C1=O	ZINC000766741385	928710525	/nfs/dbraw/zinc/71/05/25/928710525.db2.gz	HZUKUZUVBVOOBB-UHFFFAOYSA-N	1	0	369.425	1.563	20	30		FDEDRO
C#Cc1cncc(C(=O)N(C)CCN2CC[NH+](Cc3ccccc3)CC2)c1	ZINC000804344093	928972533	/nfs/dbraw/zinc/97/25/33/928972533.db2.gz	LHWOGSLCABAQOR-UHFFFAOYSA-N	1	0	362.477	1.953	20	30		FDEDRO
C[C@@H](CNc1ccnc(C#N)n1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1	ZINC001108718392	929119472	/nfs/dbraw/zinc/11/94/72/929119472.db2.gz	XNFFEKGUKXPRFM-UAGQMJEPSA-N	1	0	364.453	1.032	20	30		FDEDRO
C[C@@H](CNc1ccncc1C#N)NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1	ZINC001108725326	929141662	/nfs/dbraw/zinc/14/16/62/929141662.db2.gz	URNLDPKEMHAPDA-YJLNNSPDSA-N	1	0	371.485	1.039	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1ncn(C)c1=O)C2	ZINC001109556256	929747946	/nfs/dbraw/zinc/74/79/46/929747946.db2.gz	SPISNGIMKPVJJO-IKGGRYGDSA-N	1	0	363.506	1.664	20	30		FDEDRO
C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNS(=O)(=O)CC	ZINC001109657135	930043154	/nfs/dbraw/zinc/04/31/54/930043154.db2.gz	APYNQKJERJGGKE-PMPSAXMXSA-N	1	0	357.520	1.394	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nn(C)c3c1CCCC3)C2	ZINC001109740378	930283312	/nfs/dbraw/zinc/28/33/12/930283312.db2.gz	PYRSYSMSJZTQPU-HFTRVMKXSA-N	1	0	358.486	1.837	20	30		FDEDRO
CSCCNC(=S)NN=Cc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000771557368	930739773	/nfs/dbraw/zinc/73/97/73/930739773.db2.gz	CZGYRCLFTCECPQ-UHFFFAOYSA-N	1	0	351.545	1.599	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-n3ccnc3)ccn1)C2	ZINC001109922767	930757932	/nfs/dbraw/zinc/75/79/32/930757932.db2.gz	NQDABJGUGCBNHJ-AOIWGVFYSA-N	1	0	367.453	1.805	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](OC)C(F)(F)F)C2	ZINC001109937907	930843981	/nfs/dbraw/zinc/84/39/81/930843981.db2.gz	NNEAJQLYHZOYJH-RFGFWPKPSA-N	1	0	350.381	1.878	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)Nc2cccc(NC(C)=O)c2)CC1	ZINC000772118963	931086848	/nfs/dbraw/zinc/08/68/48/931086848.db2.gz	AALPBGOLPWPTHF-AWEZNQCLSA-N	1	0	371.437	1.860	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cc1	ZINC000772601443	931396095	/nfs/dbraw/zinc/39/60/95/931396095.db2.gz	RGIIOXSJFVVQJW-GOEBONIOSA-N	1	0	351.472	1.739	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1NC(=O)NC1=O)C2	ZINC001110077381	931411433	/nfs/dbraw/zinc/41/14/33/931411433.db2.gz	RFOFWKOZSLWJNX-UGUYLWEFSA-N	1	0	364.490	1.667	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1OCC[C@@H]1Cn1cccn1)C2	ZINC001112544311	931415897	/nfs/dbraw/zinc/41/58/97/931415897.db2.gz	ZWDVOZZDKQDICO-RMJJICAUSA-N	1	0	356.470	1.140	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COc1cccnc1)C2	ZINC001112545906	931433917	/nfs/dbraw/zinc/43/39/17/931433917.db2.gz	KOFGXHMINOVZTM-PXNSSMCTSA-N	1	0	359.470	1.881	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CC(=O)NC1=O)C2	ZINC001112546867	931442523	/nfs/dbraw/zinc/44/25/23/931442523.db2.gz	IMUKQWHKEHFRPP-DOXZYTNZSA-N	1	0	362.474	1.111	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCO1	ZINC000785539262	931444283	/nfs/dbraw/zinc/44/42/83/931444283.db2.gz	JCVDNWNBUOXQAM-RTBURBONSA-N	1	0	369.465	1.196	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCc2ccnc(C#N)c2)CC1=O	ZINC000785651877	931526246	/nfs/dbraw/zinc/52/62/46/931526246.db2.gz	HIPDDSOSXNBCPK-DOTOQJQBSA-N	1	0	356.426	1.329	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCn1cnccc1=O)C2	ZINC001112553726	931535573	/nfs/dbraw/zinc/53/55/73/931535573.db2.gz	GECMFETZSHHRAA-PXNSSMCTSA-N	1	0	358.486	1.818	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc3c(c1)C(=O)NC3=O)C2	ZINC001112565369	931611391	/nfs/dbraw/zinc/61/13/91/931611391.db2.gz	YBAHREOFZPWAQA-XOBRGWDASA-N	1	0	351.406	1.035	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1Cc3ccccc3C1=O)C2	ZINC001112565404	931611563	/nfs/dbraw/zinc/61/15/63/931611563.db2.gz	ZYYAIERRHNEWBP-AVRDEDQJSA-N	1	0	365.477	1.884	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N(C)CC)C2)nc1	ZINC001112565440	931613683	/nfs/dbraw/zinc/61/36/83/931613683.db2.gz	BTYBFUGYYRKBDG-UWJYYQICSA-N	1	0	368.481	1.373	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@H](CC)C(N)=O)C2)nc1	ZINC001112565913	931615503	/nfs/dbraw/zinc/61/55/03/931615503.db2.gz	YYJAQKYEKNDHML-YRNRMSPPSA-N	1	0	354.454	1.159	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1)c1ccccc1	ZINC001112566522	931621301	/nfs/dbraw/zinc/62/13/01/931621301.db2.gz	IYKBVSTTZDNEKM-MMOPVJDHSA-N	1	0	368.481	1.648	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC(=O)N1C)C2	ZINC001112571768	931656134	/nfs/dbraw/zinc/65/61/34/931656134.db2.gz	MMJVGFGKIHRDMD-ZWOKBUDYSA-N	1	0	363.502	1.418	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@@H](O)COC)C1	ZINC001112569727	931662624	/nfs/dbraw/zinc/66/26/24/931662624.db2.gz	MPEIEXADSBDXAW-VWPQPMDRSA-N	1	0	370.493	1.436	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccccc1-n1cnnn1)C2	ZINC001112577067	931690212	/nfs/dbraw/zinc/69/02/12/931690212.db2.gz	YLUVZBNQKLMIGZ-JXFKEZNVSA-N	1	0	364.453	1.518	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc(-n3cnnn3)c1)C2	ZINC001112576526	931713773	/nfs/dbraw/zinc/71/37/73/931713773.db2.gz	TUSAAJVERKXNLT-LPHOPBHVSA-N	1	0	350.426	1.127	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cncc(C(N)=O)c1)C2	ZINC001112580228	931725971	/nfs/dbraw/zinc/72/59/71/931725971.db2.gz	DOMLHACSJUOKNG-PXNSSMCTSA-N	1	0	356.470	1.979	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc3c(C)nn(C)c3n1)C2	ZINC001112585977	931771159	/nfs/dbraw/zinc/77/11/59/931771159.db2.gz	BSPREOCAOUVCCS-YWZLYKJASA-N	1	0	351.454	1.742	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)OCCOCC)C2	ZINC001112584897	931787092	/nfs/dbraw/zinc/78/70/92/931787092.db2.gz	OHQLXFOEBCPVEI-HBFSDRIKSA-N	1	0	368.518	1.849	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2csnn2)C1	ZINC001112589105	931801915	/nfs/dbraw/zinc/80/19/15/931801915.db2.gz	LMVBQBPUTVZVMI-KEYYUXOJSA-N	1	0	350.488	1.848	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)CS(C)(=O)=O)C2	ZINC001112587429	931809662	/nfs/dbraw/zinc/80/96/62/931809662.db2.gz	WXZMAJZNTWLOMW-RYRKJORJSA-N	1	0	356.532	1.852	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(C(N)=O)nc1)C2	ZINC001112590948	931841173	/nfs/dbraw/zinc/84/11/73/931841173.db2.gz	ZOLHVSLONCDUGJ-JXFKEZNVSA-N	1	0	356.470	1.979	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](CC(C)C)C(N)=O)C2	ZINC001112593222	931848391	/nfs/dbraw/zinc/84/83/91/931848391.db2.gz	CHVJURDKYMGKRI-QKLQHJQFSA-N	1	0	365.518	1.555	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)CN3CC[C@](F)(C#N)C3)cc2)CC1	ZINC000786439959	931917294	/nfs/dbraw/zinc/91/72/94/931917294.db2.gz	BPBFIWCWVNJIDL-IBGZPJMESA-N	1	0	359.449	1.705	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H](OC)c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129393457	932161450	/nfs/dbraw/zinc/16/14/50/932161450.db2.gz	LAJLOFUHTKZBOT-CEXWTWQISA-N	1	0	369.469	1.974	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1)C1CCCC1	ZINC000787178643	932212732	/nfs/dbraw/zinc/21/27/32/932212732.db2.gz	YLKKMGKPWGEYQK-UHFFFAOYSA-N	1	0	371.481	1.648	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCCO1	ZINC000787289404	932245198	/nfs/dbraw/zinc/24/51/98/932245198.db2.gz	HDMXJLAUEKVSJL-RTBURBONSA-N	1	0	369.465	1.196	20	30		FDEDRO
C[NH+](C)Cc1ccc(S(=O)(=O)NCCNc2ncccc2C#N)cc1	ZINC000788598771	932750386	/nfs/dbraw/zinc/75/03/86/932750386.db2.gz	LHIPZKKJBDYEOD-UHFFFAOYSA-N	1	0	359.455	1.405	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)n1	ZINC000789091499	932933858	/nfs/dbraw/zinc/93/38/58/932933858.db2.gz	WGVGFUUDXAPVSW-MAUKXSAKSA-N	1	0	359.474	1.157	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2cn(C)nc2C)C1	ZINC001086592909	933841024	/nfs/dbraw/zinc/84/10/24/933841024.db2.gz	OORKZESDGJSDTD-VQTJNVASSA-N	1	0	350.466	1.879	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1	ZINC001086594920	933898264	/nfs/dbraw/zinc/89/82/64/933898264.db2.gz	BCNKJIGCMFHSEC-GSEOLPGOSA-N	1	0	357.498	1.866	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1	ZINC001086597858	933980457	/nfs/dbraw/zinc/98/04/57/933980457.db2.gz	CRQYKJDASRZWQD-FGTMMUONSA-N	1	0	356.470	1.547	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccnc3n[nH]nc32)C1	ZINC001086598728	933996323	/nfs/dbraw/zinc/99/63/23/933996323.db2.gz	YJMDAKITDVJYMS-DLBZAZTESA-N	1	0	360.421	1.574	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1	ZINC000793910898	938336604	/nfs/dbraw/zinc/33/66/04/938336604.db2.gz	KPUNIJMELCLRCB-NQBHXWOUSA-N	1	0	360.296	1.494	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@]2(C)CCN(C(C)=O)C2)C1	ZINC001086618835	938343231	/nfs/dbraw/zinc/34/32/31/938343231.db2.gz	NFNKFGVFOYLZQQ-TUNNFDKTSA-N	1	0	367.493	1.852	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@]2(C)CCN(C(C)=O)C2)C1	ZINC001086618709	938350251	/nfs/dbraw/zinc/35/02/51/938350251.db2.gz	HGBAUUWCLGROHR-VWPQPMDRSA-N	1	0	367.493	1.852	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCC(C)C)C[C@@H]2n2ccnn2)nc1	ZINC001129393884	938401465	/nfs/dbraw/zinc/40/14/65/938401465.db2.gz	VCAYUKGMVFSIJN-MOPGFXCFSA-N	1	0	366.469	1.746	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccccc2OC)[C@@H](n2ccnn2)C1	ZINC001129400351	938415220	/nfs/dbraw/zinc/41/52/20/938415220.db2.gz	JPLHHLLFJDLZAS-SJORKVTESA-N	1	0	355.442	1.908	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)COc2ccc(C)c(C)c2)[C@@H](n2ccnn2)C1	ZINC001129445350	938418296	/nfs/dbraw/zinc/41/82/96/938418296.db2.gz	IXQWOLXVYKTLPI-MOPGFXCFSA-N	1	0	369.469	1.892	20	30		FDEDRO
C=C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCC)C[C@@H]1n1ccnn1)c1ccccc1	ZINC001129449778	938420241	/nfs/dbraw/zinc/42/02/41/938420241.db2.gz	YYJFAHDOZMXINF-QRVBRYPASA-N	1	0	369.469	1.626	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2ccc(C)nc2)[C@@H](n2ccnn2)C1	ZINC001129433872	938423943	/nfs/dbraw/zinc/42/39/43/938423943.db2.gz	XBYYQELOKIYICQ-QRQLOZEOSA-N	1	0	368.485	1.920	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H](C)C2CCOCC2)[C@@H](n2ccnn2)C1	ZINC001129490701	938442413	/nfs/dbraw/zinc/44/24/13/938442413.db2.gz	KNXRMHOTXSKPDO-NXHRZFHOSA-N	1	0	361.490	1.649	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccccc2O)C[C@@H]1n1ccnn1	ZINC001129582363	938460543	/nfs/dbraw/zinc/46/05/43/938460543.db2.gz	DQIGOVSUARWXMP-OIISXLGYSA-N	1	0	355.442	1.994	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(C)n(C)n2)C[C@@H]1n1ccnn1	ZINC001129633939	938474309	/nfs/dbraw/zinc/47/43/09/938474309.db2.gz	VMACPBSGPJRKTG-XKQJLSEDSA-N	1	0	357.462	1.330	20	30		FDEDRO
CC(C)OCC(=O)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129664455	938477921	/nfs/dbraw/zinc/47/79/21/938477921.db2.gz	KCIGJGITIRSQDQ-MOPGFXCFSA-N	1	0	367.453	1.096	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CC2CCCC2)[C@@H](n2ccnn2)C1	ZINC001129655757	938482811	/nfs/dbraw/zinc/48/28/11/938482811.db2.gz	FKEHSMQJSFMBEZ-NXHRZFHOSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n2ccnn2)C1	ZINC001129656302	938482990	/nfs/dbraw/zinc/48/29/90/938482990.db2.gz	OFIFASOKOWYATB-ZERXYNDKSA-N	1	0	353.854	1.353	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2C[C@@H]([NH2+]CCCCCF)[C@@H](n3ccnn3)C2)c1	ZINC001129738015	938497723	/nfs/dbraw/zinc/49/77/23/938497723.db2.gz	YOVWTYZIKIRMRT-CVEARBPZSA-N	1	0	359.409	1.273	20	30		FDEDRO
CC(C)CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1n1ccnn1	ZINC001129763120	938503362	/nfs/dbraw/zinc/50/33/62/938503362.db2.gz	WMXQSZGVJIEYMK-SJORKVTESA-N	1	0	355.446	1.569	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H]([NH2+]CCc2ccccc2F)[C@@H](n2ccnn2)C1	ZINC001129822222	938521978	/nfs/dbraw/zinc/52/19/78/938521978.db2.gz	LFDLJTYPLUTOOK-MOPGFXCFSA-N	1	0	369.444	1.661	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn(C(C)(C)C)nc2C)C[C@@H]1n1ccnn1	ZINC001129829273	938523678	/nfs/dbraw/zinc/52/36/78/938523678.db2.gz	DNZDZHBDDWAMII-SJORKVTESA-N	1	0	371.489	1.769	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]CCc2ccc(C)cc2)[C@@H](n2ccnn2)C1	ZINC001129829488	938523692	/nfs/dbraw/zinc/52/36/92/938523692.db2.gz	IXZXBKNJWVIJIM-UXHICEINSA-N	1	0	365.481	1.974	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2C=C)C[C@@H]1n1ccnn1	ZINC001129855744	938528588	/nfs/dbraw/zinc/52/85/88/938528588.db2.gz	QOSRTEHIPIPEHF-BDXSIMOUSA-N	1	0	359.474	1.567	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCCC)[C@@H](n2ccnn2)C1	ZINC001129855561	938528611	/nfs/dbraw/zinc/52/86/11/938528611.db2.gz	MZTUKSDIAXXUGL-BDXSIMOUSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n2ccnn2)C1)OCC	ZINC001129879194	938536526	/nfs/dbraw/zinc/53/65/26/938536526.db2.gz	WVIQXIKXDSUQKU-MXPMBAMNSA-N	1	0	367.881	1.743	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc3c2COCC3)C[C@@H]1n1ccnn1	ZINC001129890532	938541470	/nfs/dbraw/zinc/54/14/70/938541470.db2.gz	MQXLGXCQFQOTHM-MOPGFXCFSA-N	1	0	367.453	1.582	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c(C3CC3)cnn2C)C[C@@H]1n1ccnn1	ZINC001129890655	938541717	/nfs/dbraw/zinc/54/17/17/938541717.db2.gz	UCEUXHLDBZBVPJ-SJORKVTESA-N	1	0	369.473	1.511	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccnn2CCC)C[C@@H]1n1ccnn1	ZINC001129871391	938544813	/nfs/dbraw/zinc/54/48/13/938544813.db2.gz	IODPPCNMMNOYPF-WBVHZDCISA-N	1	0	357.462	1.506	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cn2ccc(C)n2)C[C@@H]1n1ccnn1	ZINC001129872052	938545029	/nfs/dbraw/zinc/54/50/29/938545029.db2.gz	RIFGKYMTEHTXHU-NXHRZFHOSA-N	1	0	371.489	1.427	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccnn2C(F)F)C[C@@H]1n1ccnn1	ZINC001129875073	938546264	/nfs/dbraw/zinc/54/62/64/938546264.db2.gz	XKHJWOKOLJOXNQ-YPMHNXCESA-N	1	0	351.361	1.101	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccn(C3CCCC3)n2)C[C@@H]1n1ccnn1	ZINC001129876229	938546458	/nfs/dbraw/zinc/54/64/58/938546458.db2.gz	FWFKJLFICOEYCR-MSOLQXFVSA-N	1	0	367.457	1.268	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccn(C(C)(C)C)n2)C[C@@H]1n1ccnn1	ZINC001129876240	938546700	/nfs/dbraw/zinc/54/67/00/938546700.db2.gz	GGTHZKJOGLMBTA-SJORKVTESA-N	1	0	371.489	1.851	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCCO2)[C@@H](n2ccnn2)C1	ZINC001129876654	938546980	/nfs/dbraw/zinc/54/69/80/938546980.db2.gz	UZKRQBLQOAGQFH-ZACQAIPSSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)c2C)C[C@@H]1n1ccnn1	ZINC001129876709	938547066	/nfs/dbraw/zinc/54/70/66/938547066.db2.gz	WOYIOTAYPLBJOM-MSOLQXFVSA-N	1	0	371.489	1.261	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc3nc[nH]c3n2)C[C@@H]1n1ccnn1	ZINC001129910277	938549977	/nfs/dbraw/zinc/54/99/77/938549977.db2.gz	LUXUUICXSCOPQP-CVEARBPZSA-N	1	0	366.429	1.171	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(C(N)=O)cn2)C1	ZINC001086626001	938556254	/nfs/dbraw/zinc/55/62/54/938556254.db2.gz	NPMKGDIXTKJUCO-PKOBYXMFSA-N	1	0	362.433	1.402	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2nc3cccnc3s2)C[C@@H]1n1ccnn1	ZINC001129898348	938558860	/nfs/dbraw/zinc/55/88/60/938558860.db2.gz	QXWQMOCLZIVHPE-KGLIPLIRSA-N	1	0	369.454	1.514	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2cncnc2)C[C@@H]1n1ccnn1	ZINC001129932306	938562664	/nfs/dbraw/zinc/56/26/64/938562664.db2.gz	VSKWQWLPGHTCBB-SJORKVTESA-N	1	0	355.446	1.009	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2cc(CC)nn2C)C[C@@H]1n1ccnn1	ZINC001129939489	938565524	/nfs/dbraw/zinc/56/55/24/938565524.db2.gz	GQXFHWXJIZHQNN-MSOLQXFVSA-N	1	0	371.489	1.124	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(C)nnc2CC)C[C@@H]1n1ccnn1	ZINC001129920977	938568270	/nfs/dbraw/zinc/56/82/70/938568270.db2.gz	INCZEYWBSGQPDB-MSOLQXFVSA-N	1	0	369.473	1.560	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3[nH]nc(C)c3c2)C[C@@H]1n1ccnn1	ZINC001129930580	938573133	/nfs/dbraw/zinc/57/31/33/938573133.db2.gz	KTTULEMRKNTJAJ-MSOLQXFVSA-N	1	0	365.441	1.694	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC(C)(C)CO2)C[C@@H]1n1ccnn1	ZINC001129930773	938573264	/nfs/dbraw/zinc/57/32/64/938573264.db2.gz	TXJZITOHVNFXPY-ZACQAIPSSA-N	1	0	361.490	1.791	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]CCC[C@H](C)O)[C@@H](n3ccnn3)C2)cc1	ZINC001129952288	938575283	/nfs/dbraw/zinc/57/52/83/938575283.db2.gz	MYGGVJGJGSAAOM-IPELMVKDSA-N	1	0	367.453	1.076	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]C[C@@H](C)CC)[C@@H](n3ccnn3)C2)cc1	ZINC001129952298	938575351	/nfs/dbraw/zinc/57/53/51/938575351.db2.gz	NLXRILNHVJVALC-IPELMVKDSA-N	1	0	351.454	1.961	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]C[C@H](CC)OC)[C@@H](n3ccnn3)C2)cc1	ZINC001129952408	938575650	/nfs/dbraw/zinc/57/56/50/938575650.db2.gz	SAIFYJXAVUWGGY-OTWHNJEPSA-N	1	0	367.453	1.340	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(OC)cs2)C[C@@H]1n1ccnn1	ZINC001129954399	938576225	/nfs/dbraw/zinc/57/62/25/938576225.db2.gz	LTOXDYHDOBOINN-CABCVRRESA-N	1	0	361.471	1.970	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1	ZINC001129972835	938591579	/nfs/dbraw/zinc/59/15/79/938591579.db2.gz	NYRZVMXKUOGEHE-MSOLQXFVSA-N	1	0	352.442	1.408	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccncc2)C(C)C)C[C@@H]1n1ccnn1	ZINC001129978228	938594036	/nfs/dbraw/zinc/59/40/36/938594036.db2.gz	WFLCVIKHFOYXCG-QYZOEREBSA-N	1	0	366.469	1.478	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1	ZINC001086627417	938596636	/nfs/dbraw/zinc/59/66/36/938596636.db2.gz	HVLGQHXWZXRLLT-IXDOHACOSA-N	1	0	355.438	1.200	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H]([NH2+]CCOC2CCC2)[C@@H](n2ccnn2)C1	ZINC001129975994	938600329	/nfs/dbraw/zinc/60/03/29/938600329.db2.gz	BQRMTMDCFDOHNL-JQHSSLGASA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cncnc2)C[C@@H]1n1ccnn1	ZINC001129976662	938600920	/nfs/dbraw/zinc/60/09/20/938600920.db2.gz	UWQCCTFVWLUORN-OIISXLGYSA-N	1	0	355.446	1.180	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnc3n2CCCC3)C[C@@H]1n1ccnn1	ZINC001129976563	938601041	/nfs/dbraw/zinc/60/10/41/938601041.db2.gz	QSOFPLQOAYFGGL-WBVHZDCISA-N	1	0	369.473	1.432	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2cc(C)ccc2C)C[C@@H]1n1ccnn1	ZINC001129996032	938604772	/nfs/dbraw/zinc/60/47/72/938604772.db2.gz	XRRNFDGKWADQEF-MOPGFXCFSA-N	1	0	351.454	1.502	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]([NH2+][C@H](C)CCC=C)[C@@H](n3ccnn3)C2)c1	ZINC001129997192	938605221	/nfs/dbraw/zinc/60/52/21/938605221.db2.gz	CPWDUVQEBVMSKO-LZQZEXGQSA-N	1	0	364.453	1.664	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccn(C)c2C)C[C@@H]1n1ccnn1	ZINC001130000769	938607945	/nfs/dbraw/zinc/60/79/45/938607945.db2.gz	NSUNOJLMMSKTKM-OLMNPRSZSA-N	1	0	356.474	1.935	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccnc(OCC)c2)C[C@@H]1n1ccnn1	ZINC001130002728	938609097	/nfs/dbraw/zinc/60/90/97/938609097.db2.gz	PASCDNNXODZTEF-CVEARBPZSA-N	1	0	356.430	1.303	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]([NH2+]C[C@H]2CC(C)(C)CO2)[C@@H](n2ccnn2)C1	ZINC001129986969	938610334	/nfs/dbraw/zinc/61/03/34/938610334.db2.gz	SIZVFZAFNIQIBZ-ZACQAIPSSA-N	1	0	361.490	1.791	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2noc3c2CCCCC3)C[C@@H]1n1ccnn1	ZINC001130023953	938620420	/nfs/dbraw/zinc/62/04/20/938620420.db2.gz	GLRQIRBCTYTJMB-CVEARBPZSA-N	1	0	368.441	1.214	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H]([NH2+]Cc2ccnn2C)[C@@H](n2ccnn2)C1	ZINC001130022664	938620695	/nfs/dbraw/zinc/62/06/95/938620695.db2.gz	HQUQWPHDIXMESC-CVEARBPZSA-N	1	0	357.462	1.156	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cn2nccc2C)C[C@@H]1n1ccnn1	ZINC001130024047	938621611	/nfs/dbraw/zinc/62/16/11/938621611.db2.gz	HQQZASMJPNQEKU-MSOLQXFVSA-N	1	0	371.489	1.571	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3cc(F)ccc3O2)C[C@@H]1n1ccnn1	ZINC001130024071	938628254	/nfs/dbraw/zinc/62/82/54/938628254.db2.gz	IPCCYHRUPRXYFP-RYRKJORJSA-N	1	0	371.416	1.339	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)C[C@@H](C)O3)C[C@@H]1n1ccnn1	ZINC001130038003	938636157	/nfs/dbraw/zinc/63/61/57/938636157.db2.gz	HJVNFRCXSIUXLT-OLMNPRSZSA-N	1	0	367.453	1.833	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccnc(C)c2)C[C@@H]1n1ccnn1	ZINC001130047709	938646944	/nfs/dbraw/zinc/64/69/44/938646944.db2.gz	OVMHZESZLMDLBF-QGTPRVQTSA-N	1	0	354.458	1.992	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnn(CC)c2C)C[C@@H]1n1ccnn1	ZINC001130050117	938648333	/nfs/dbraw/zinc/64/83/33/938648333.db2.gz	JWBWJPWSGPIPBK-SJORKVTESA-N	1	0	357.462	1.424	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2cc(C)cc(C)c2)C[C@@H]1n1ccnn1	ZINC001130071347	938658265	/nfs/dbraw/zinc/65/82/65/938658265.db2.gz	QRIZHWXGPWQKEK-UXHICEINSA-N	1	0	365.481	1.893	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnn(C(C)C)c2)C[C@@H]1n1ccnn1	ZINC001130083798	938665241	/nfs/dbraw/zinc/66/52/41/938665241.db2.gz	KTJVCAOIBCBKLI-SJORKVTESA-N	1	0	357.462	1.677	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)CC(F)(F)F)C[C@@H]1n1ccnn1	ZINC001130088880	938675235	/nfs/dbraw/zinc/67/52/35/938675235.db2.gz	NCXUTQREZPCWRF-MCIONIFRSA-N	1	0	357.380	1.622	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]CC[C@H](C)F)[C@@H](n3ccnn3)C2)nc1	ZINC001130094079	938678733	/nfs/dbraw/zinc/67/87/33/938678733.db2.gz	AOUPKDXUWJGRLL-XKQJLSEDSA-N	1	0	356.405	1.058	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]CCCC(C)C)[C@@H](n3ccnn3)C2)nc1	ZINC001130095032	938679682	/nfs/dbraw/zinc/67/96/82/938679682.db2.gz	YBRQNHSRGXKPKJ-MOPGFXCFSA-N	1	0	366.469	1.746	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cccc(OC)c2)C[C@@H]1n1ccnn1	ZINC001130099523	938682202	/nfs/dbraw/zinc/68/22/02/938682202.db2.gz	GWFZGWWFXSNMLX-MSOLQXFVSA-N	1	0	355.442	1.908	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CC(C)(C)CO2)C[C@@H]1n1ccnn1	ZINC001130102442	938684847	/nfs/dbraw/zinc/68/48/47/938684847.db2.gz	YXROYAUUBWFWCM-BBWFWOEESA-N	1	0	359.474	1.238	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2ccnc2C)C[C@@H]1n1ccnn1	ZINC001130123445	938705314	/nfs/dbraw/zinc/70/53/14/938705314.db2.gz	RJVWBIPHVJBVPP-OIISXLGYSA-N	1	0	357.462	1.179	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)n2c(C)ccc2C)C[C@@H]1n1ccnn1	ZINC001130139730	938711770	/nfs/dbraw/zinc/71/17/70/938711770.db2.gz	GUFBLJAQJSFFJQ-KSZLIROESA-N	1	0	354.458	1.322	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnc(OCC)cn2)C[C@@H]1n1ccnn1	ZINC001130155544	938718686	/nfs/dbraw/zinc/71/86/86/938718686.db2.gz	NEOYABJXLVENJG-CVEARBPZSA-N	1	0	371.445	1.088	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ncccc2OCC)C[C@@H]1n1ccnn1	ZINC001130160965	938721305	/nfs/dbraw/zinc/72/13/05/938721305.db2.gz	KBYLDRIZGQGQGA-CVEARBPZSA-N	1	0	370.457	1.693	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C)cc2)[C@@H](n2ccnn2)C1	ZINC001130148252	938722542	/nfs/dbraw/zinc/72/25/42/938722542.db2.gz	LOJYOKLMGJHTTL-MOPGFXCFSA-N	1	0	369.469	1.721	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CCCC2)n1	ZINC001130175531	938724066	/nfs/dbraw/zinc/72/40/66/938724066.db2.gz	NQPGUXALGDEWMU-KBPBESRZSA-N	1	0	367.881	1.826	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CCC2)n1	ZINC001130177498	938724974	/nfs/dbraw/zinc/72/49/74/938724974.db2.gz	CYGJGUVMJNYNPI-STQMWFEESA-N	1	0	353.854	1.436	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccccn2)[nH]1	ZINC001130181621	938728702	/nfs/dbraw/zinc/72/87/02/938728702.db2.gz	MVMJZUABGIBQIG-HOCLYGCPSA-N	1	0	370.457	1.558	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)C2CC2)[nH]1	ZINC001130196104	938739457	/nfs/dbraw/zinc/73/94/57/938739457.db2.gz	SCLOGEBBLQAGQK-BPUTZDHNSA-N	1	0	361.490	1.895	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)C2CC2)n1	ZINC001130198506	938740422	/nfs/dbraw/zinc/74/04/22/938740422.db2.gz	NNTWYSLPXTYJKI-XBFCOCLRSA-N	1	0	367.881	1.682	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N[C@H]1CCN(Cc2ccc(OC)cc2OC)C1=O	ZINC000805443647	938741128	/nfs/dbraw/zinc/74/11/28/938741128.db2.gz	ILDWFQAIQCQJQP-INIZCTEOSA-N	1	0	361.442	1.039	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2C[C@@H]2C(F)F)[nH]1	ZINC001130207535	938746692	/nfs/dbraw/zinc/74/66/92/938746692.db2.gz	FLDUDKMLXDAWIH-CYDGBPFRSA-N	1	0	369.416	1.360	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc[nH]c2CC)[nH]1	ZINC001130207966	938747256	/nfs/dbraw/zinc/74/72/56/938747256.db2.gz	YJZHEPIPQGRKQN-ZFWWWQNUSA-N	1	0	358.446	1.273	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC(C)(C)O)[nH]1	ZINC001130209865	938747900	/nfs/dbraw/zinc/74/79/00/938747900.db2.gz	OMEVETNDVRPZLR-KBPBESRZSA-N	1	0	365.478	1.010	20	30		FDEDRO
C#CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C[C@@H](C)CC)[nH]1	ZINC001130210196	938748002	/nfs/dbraw/zinc/74/80/02/938748002.db2.gz	ZESQJVCIASRVCV-JYJNAYRXSA-N	1	0	361.490	1.733	20	30		FDEDRO
CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C#CC(C)(C)C)[nH]1	ZINC001130213078	938750016	/nfs/dbraw/zinc/75/00/16/938750016.db2.gz	SLZCTSFQTHPZDU-GJZGRUSLSA-N	1	0	361.490	1.733	20	30		FDEDRO
C#CCC1(C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CCC)[nH]2)CCC1	ZINC001130215707	938751964	/nfs/dbraw/zinc/75/19/64/938751964.db2.gz	CQWIFXLAVDWVFN-GJZGRUSLSA-N	1	0	359.474	1.487	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCC(F)(F)C2)[nH]1	ZINC001130216128	938752755	/nfs/dbraw/zinc/75/27/55/938752755.db2.gz	NGFGSVPAANJBMS-AVGNSLFASA-N	1	0	369.416	1.504	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC2(C)C)n1	ZINC001130200547	938754034	/nfs/dbraw/zinc/75/40/34/938754034.db2.gz	PMLWDSNNYJIKIA-XQQFMLRXSA-N	1	0	367.881	1.682	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCC=CCCC2)n1	ZINC001130220730	938756093	/nfs/dbraw/zinc/75/60/93/938756093.db2.gz	KBVWIYJHYQIJLK-ULQDDVLXSA-N	1	0	371.485	1.653	20	30		FDEDRO
C=CCC(C)(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCF)[nH]1	ZINC001130239912	938756125	/nfs/dbraw/zinc/75/61/25/938756125.db2.gz	CVKBVXGJGIRMGC-KBPBESRZSA-N	1	0	367.469	1.845	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@](C)(F)CCCC)n1	ZINC001130223097	938757194	/nfs/dbraw/zinc/75/71/94/938757194.db2.gz	LIWYUWJYRDJBHD-DEYYWGMASA-N	1	0	365.453	1.435	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC(C)(F)F)[nH]1	ZINC001130233145	938765266	/nfs/dbraw/zinc/76/52/66/938765266.db2.gz	ZXXMDYCVSJZTLE-STQMWFEESA-N	1	0	371.432	1.895	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCOC)[nH]1	ZINC001130232902	938765379	/nfs/dbraw/zinc/76/53/79/938765379.db2.gz	SLRWUIQRHOXTKT-ILXRZTDVSA-N	1	0	365.478	1.132	20	30		FDEDRO
C=CCCC1(C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CCF)[nH]2)CC1	ZINC001130235203	938766579	/nfs/dbraw/zinc/76/65/79/938766579.db2.gz	YDNBMPDEBVNLAY-KBPBESRZSA-N	1	0	365.453	1.599	20	30		FDEDRO
C=C1CCC(C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CCF)[nH]2)CC1	ZINC001130235193	938766582	/nfs/dbraw/zinc/76/65/82/938766582.db2.gz	XNWSYVZKPCEHTJ-GJZGRUSLSA-N	1	0	365.453	1.599	20	30		FDEDRO
C=CCC(C)(C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC#CC)n[nH]1	ZINC001130240332	938767481	/nfs/dbraw/zinc/76/74/81/938767481.db2.gz	OFNFCAFZDMOJDC-GJZGRUSLSA-N	1	0	359.474	1.509	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC23CCCC3)[nH]1	ZINC001130244164	938770298	/nfs/dbraw/zinc/77/02/98/938770298.db2.gz	CGRCBPYSVHAZIJ-ZNMIVQPWSA-N	1	0	359.474	1.649	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)C(C)C)n1	ZINC001130244887	938770828	/nfs/dbraw/zinc/77/08/28/938770828.db2.gz	PGQRSJFHXRQSKG-IHRRRGAJSA-N	1	0	369.897	1.928	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H](C)c2ccco2)n1	ZINC001130246645	938771697	/nfs/dbraw/zinc/77/16/97/938771697.db2.gz	LHOAQVVNOZFMLB-YCPHGPKFSA-N	1	0	371.441	1.303	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COCCCC)CC1	ZINC001130282603	938779994	/nfs/dbraw/zinc/77/99/94/938779994.db2.gz	XWFUBEPYMJYCTB-XLIONFOSSA-N	1	0	363.502	1.302	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CSC(C)C)CC1	ZINC001130274240	938786227	/nfs/dbraw/zinc/78/62/27/938786227.db2.gz	CQJMIDRSSHGYJY-QAPCUYQASA-N	1	0	351.516	1.237	20	30		FDEDRO
C=CCOCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)CC)CC1	ZINC001130274613	938786979	/nfs/dbraw/zinc/78/69/79/938786979.db2.gz	WHWMEPCBTSGQBK-SUMDDJOVSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCOC(C)C)CC1	ZINC001130274636	938787026	/nfs/dbraw/zinc/78/70/26/938787026.db2.gz	WXVWIPULQFFRKS-XLIONFOSSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2cocn2)CC1	ZINC001130276455	938787258	/nfs/dbraw/zinc/78/72/58/938787258.db2.gz	BAPZELSZMSRNSA-QAPCUYQASA-N	1	0	360.458	1.730	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCCOC)CC1	ZINC001130277057	938788348	/nfs/dbraw/zinc/78/83/48/938788348.db2.gz	ZRXCFEUFGHJCHJ-XLIONFOSSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@@](C)(O)C=C)CC1	ZINC001130288887	938793917	/nfs/dbraw/zinc/79/39/17/938793917.db2.gz	ZCLMDZYLNOBFHL-UXPWSPDFSA-N	1	0	363.502	1.365	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@H](C)OC)CC1	ZINC001130295400	938797476	/nfs/dbraw/zinc/79/74/76/938797476.db2.gz	ABLDIQQBBMMIRI-LESCRADOSA-N	1	0	365.518	1.709	20	30		FDEDRO
C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3ccnc(C#N)n3)cc2)CC1	ZINC001170485902	938805630	/nfs/dbraw/zinc/80/56/30/938805630.db2.gz	CLHKHEZDNDMZNM-WLYUNCDWSA-N	1	0	350.426	1.720	20	30		FDEDRO
C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3nccnc3CC#N)cc2)CC1	ZINC001170486650	938814691	/nfs/dbraw/zinc/81/46/91/938814691.db2.gz	KOXVJAOSVZDBNL-QQFBHYJXSA-N	1	0	364.453	1.914	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]2C2CCC2)C1	ZINC001130430899	938846280	/nfs/dbraw/zinc/84/62/80/938846280.db2.gz	KQVMJRUUKZGKRG-NZSAHSFTSA-N	1	0	370.497	1.901	20	30		FDEDRO
CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#Cc2ccc(F)cc2)C1	ZINC001130474294	938865090	/nfs/dbraw/zinc/86/50/90/938865090.db2.gz	UFHFZOKLWORNMC-PKOBYXMFSA-N	1	0	354.429	1.905	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc[n+]([O-])cc2)C1	ZINC001086637393	938865285	/nfs/dbraw/zinc/86/52/85/938865285.db2.gz	FMIOBMSAJJEORZ-GXTWGEPZSA-N	1	0	354.248	1.717	20	30		FDEDRO
COCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001130471239	938872429	/nfs/dbraw/zinc/87/24/29/938872429.db2.gz	VEAJJXROOIKJOC-PKOBYXMFSA-N	1	0	367.453	1.412	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CCc2ccco2)C[C@H]1c1cn(C)cn1	ZINC001130498215	938882521	/nfs/dbraw/zinc/88/25/21/938882521.db2.gz	UXFOVOZCCPSGHJ-PKOBYXMFSA-N	1	0	370.453	1.180	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CCOC(C)C)C[C@H]1c1cn(C)cn1	ZINC001130510861	938888138	/nfs/dbraw/zinc/88/81/38/938888138.db2.gz	OZAGPSXLRSQPGH-FUHWJXTLSA-N	1	0	364.490	1.322	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CC2=CCCCC2)C[C@H]1c1cn(C)cn1	ZINC001130532002	938900751	/nfs/dbraw/zinc/90/07/51/938900751.db2.gz	PUTDMEYPGKSZBR-AZUAARDMSA-N	1	0	370.497	1.844	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130583671	939883804	/nfs/dbraw/zinc/88/38/04/939883804.db2.gz	LPGULRWZEIXZJB-DOTOQJQBSA-N	1	0	371.489	1.493	20	30		FDEDRO
COCCCCC[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1cn(C)cn1	ZINC001130587610	939888531	/nfs/dbraw/zinc/88/85/31/939888531.db2.gz	ULLPKGBOWFNMRM-PKOBYXMFSA-N	1	0	358.486	1.534	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CO[C@H]2CCOC2)C[C@H]1c1cn(C)cn1	ZINC001130594366	939901642	/nfs/dbraw/zinc/90/16/42/939901642.db2.gz	DJJFEKHAAJMVAV-XYJFISCASA-N	1	0	362.474	1.076	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](OCC)C(C)C)C[C@H]1c1cn(C)cn1	ZINC001130610296	939907610	/nfs/dbraw/zinc/90/76/10/939907610.db2.gz	GWVNPSVYDGYZFL-QXAKKESOSA-N	1	0	360.502	1.779	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2cc(C3CC3)no2)C[C@H]1c1cn(C)cn1	ZINC001130610547	939908050	/nfs/dbraw/zinc/90/80/50/939908050.db2.gz	LZKZTZDWIQQXIR-QFBILLFUSA-N	1	0	369.469	1.988	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCCc2ncc(C)o2)C[C@H]1c1cn(C)cn1	ZINC001130610864	939908240	/nfs/dbraw/zinc/90/82/40/939908240.db2.gz	ULWAISPFXRFBNC-FUHWJXTLSA-N	1	0	369.469	1.647	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cn(C)nc2C)C1	ZINC001130602926	939914939	/nfs/dbraw/zinc/91/49/39/939914939.db2.gz	VDSXFKIDHOHIBG-PKOBYXMFSA-N	1	0	370.501	1.903	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@H](C)COC)C1	ZINC001130607728	939919422	/nfs/dbraw/zinc/91/94/22/939919422.db2.gz	MGABXZYTOVEESF-SOLBZPMBSA-N	1	0	371.485	1.640	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn3ncccc23)C[C@H]1c1cn(C)cn1	ZINC001130607993	939920077	/nfs/dbraw/zinc/92/00/77/939920077.db2.gz	VUCQRSYFFZDIRT-DOTOQJQBSA-N	1	0	365.441	1.237	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C(=O)Nc2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130622139	939920929	/nfs/dbraw/zinc/92/09/29/939920929.db2.gz	SAZPZMHXNUMSGO-FUHWJXTLSA-N	1	0	367.453	1.519	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccn3nccc23)C[C@H]1c1cn(C)cn1	ZINC001130622245	939921228	/nfs/dbraw/zinc/92/12/28/939921228.db2.gz	ZGDWDLKNQOQJCG-FUHWJXTLSA-N	1	0	362.437	1.289	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3[nH]ccc3n2)C[C@H]1c1cn(C)cn1	ZINC001130626607	939924254	/nfs/dbraw/zinc/92/42/54/939924254.db2.gz	NYCWYZAGGGGCON-IFXJQAMLSA-N	1	0	362.437	1.518	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ncc(F)cc2F)C[C@H]1c1cn(C)cn1	ZINC001130617358	939928921	/nfs/dbraw/zinc/92/89/21/939928921.db2.gz	YYPTYSGKNHVJLW-XJKSGUPXSA-N	1	0	359.380	1.314	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@@H](C)COC)C1	ZINC001130640083	939932018	/nfs/dbraw/zinc/93/20/18/939932018.db2.gz	ZLPLZALWRMVXBT-JENIJYKNSA-N	1	0	360.502	1.923	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cn(C(C)C)cn2)C[C@H]1c1cn(C)cn1	ZINC001130632839	939936252	/nfs/dbraw/zinc/93/62/52/939936252.db2.gz	STGMFDRVSMNOIM-DOTOQJQBSA-N	1	0	354.458	1.419	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C[C@H]1c1cn(C)cn1	ZINC001130632673	939936292	/nfs/dbraw/zinc/93/62/92/939936292.db2.gz	MFMSZZYAKLPVJW-KBDQTRBESA-N	1	0	370.497	1.390	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#CC)C1	ZINC001130637956	939940282	/nfs/dbraw/zinc/94/02/82/939940282.db2.gz	TZVJMBOFVQXHNW-HQRMLTQVSA-N	1	0	358.486	1.556	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@H]1c1cn(C)cn1	ZINC001130652411	939946777	/nfs/dbraw/zinc/94/67/77/939946777.db2.gz	SZTUQNARAKATFY-LESCRADOSA-N	1	0	350.438	1.399	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1c1cn(C)cn1	ZINC001130654333	939948240	/nfs/dbraw/zinc/94/82/40/939948240.db2.gz	GQNWSICKKWKLSP-DZGCQCFKSA-N	1	0	350.413	1.763	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)nc(OC)c2)C[C@H]1c1cn(C)cn1	ZINC001130654752	939948505	/nfs/dbraw/zinc/94/85/05/939948505.db2.gz	RRYGPHOXIXAWMD-FUHWJXTLSA-N	1	0	367.453	1.353	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCn2ccccc2=O)C[C@H]1c1cn(C)cn1	ZINC001130642483	939950087	/nfs/dbraw/zinc/95/00/87/939950087.db2.gz	PIBMFCMMXWMTDR-FUHWJXTLSA-N	1	0	369.469	1.132	20	30		FDEDRO
CCCC(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#CCOC)C1	ZINC001130664729	939957825	/nfs/dbraw/zinc/95/78/25/939957825.db2.gz	ZPTRPENOIDTVFN-FUHWJXTLSA-N	1	0	360.502	1.780	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2(C(C)C)CC2)C[C@H]1c1cn(C)cn1	ZINC001130667081	939959165	/nfs/dbraw/zinc/95/91/65/939959165.db2.gz	IMCKOOAEYBBNBE-FUHWJXTLSA-N	1	0	360.502	1.943	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2cscn2)C[C@H]1c1cn(C)cn1	ZINC001130687820	939977879	/nfs/dbraw/zinc/97/78/79/939977879.db2.gz	RYDYFGBEEWBSNP-DOTOQJQBSA-N	1	0	359.499	1.970	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCC2CCOCC2)C[C@H]1c1cn(C)cn1	ZINC001130687755	939977903	/nfs/dbraw/zinc/97/79/03/939977903.db2.gz	PCRVDZLMCUEHKP-PKOBYXMFSA-N	1	0	358.486	1.534	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2ccco2)C[C@H]1c1cn(C)cn1	ZINC001130690058	939979936	/nfs/dbraw/zinc/97/99/36/939979936.db2.gz	VBLMWIQMORSACJ-HHXXYDBFSA-N	1	0	354.454	1.799	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)nn2CC)C[C@H]1c1cn(C)cn1	ZINC001130682935	939982667	/nfs/dbraw/zinc/98/26/67/939982667.db2.gz	QBPCYOUOIWTIBR-DOTOQJQBSA-N	1	0	354.458	1.166	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnoc2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130706428	939987946	/nfs/dbraw/zinc/98/79/46/939987946.db2.gz	FBAYCMUQWAVMSL-DOTOQJQBSA-N	1	0	353.426	1.507	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2c(C)noc2C)C[C@H]1c1cn(C)cn1	ZINC001130695310	939990095	/nfs/dbraw/zinc/99/00/95/939990095.db2.gz	MNDPVHAGLFUFIJ-QANKJYHBSA-N	1	0	369.469	1.736	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)COC3)C[C@H]1c1cn(C)cn1	ZINC001130695508	939990504	/nfs/dbraw/zinc/99/05/04/939990504.db2.gz	WZOLTPVZCDNBEV-AZUAARDMSA-N	1	0	364.449	1.671	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3nccn3c2)C[C@H]1c1cn(C)cn1	ZINC001130714689	940006293	/nfs/dbraw/zinc/00/62/93/940006293.db2.gz	HLHXUPPASVXTJO-FUHWJXTLSA-N	1	0	362.437	1.289	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]C/C=C\Cl)C2)cn1	ZINC001130714872	940007411	/nfs/dbraw/zinc/00/74/11/940007411.db2.gz	NDZHMDCYZOJFMX-BFVRRIQPSA-N	1	0	369.856	1.747	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)CCOC)C[C@H]1c1cn(C)cn1	ZINC001130728388	940016687	/nfs/dbraw/zinc/01/66/87/940016687.db2.gz	CAJLUHJWUBENOS-XYJFISCASA-N	1	0	364.490	1.179	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](OC)C2CCCC2)C[C@H]1c1cn(C)cn1	ZINC001130723475	940027925	/nfs/dbraw/zinc/02/79/25/940027925.db2.gz	LWZZKJDEPMXAQM-QXAKKESOSA-N	1	0	358.486	1.533	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C2(CC=C)CCOCC2)C[C@H]1c1cn(C)cn1	ZINC001130723725	940028653	/nfs/dbraw/zinc/02/86/53/940028653.db2.gz	VOEPJJMDLFBOGJ-FUHWJXTLSA-N	1	0	358.486	1.863	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)n(C)c2C)C[C@H]1c1cn(C)cn1	ZINC001130723791	940028806	/nfs/dbraw/zinc/02/88/06/940028806.db2.gz	XYXRGJXKWNCGHQ-PKOBYXMFSA-N	1	0	353.470	1.597	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCO)C2)CCCCC1	ZINC001130737164	940038430	/nfs/dbraw/zinc/03/84/30/940038430.db2.gz	VPENVMBQBHJGEU-FUHWJXTLSA-N	1	0	358.486	1.270	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC(C)C)n2)O1	ZINC001130755077	940059384	/nfs/dbraw/zinc/05/93/84/940059384.db2.gz	YPOMXQPXHOZZBK-LSDHHAIUSA-N	1	0	365.478	1.479	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC=C)O2)n[nH]1	ZINC001130762045	940068850	/nfs/dbraw/zinc/06/88/50/940068850.db2.gz	MZJMRUJBWKLDPI-QLFBSQMISA-N	1	0	363.462	1.398	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCCCOC)n2)O1	ZINC001130762620	940070882	/nfs/dbraw/zinc/07/08/82/940070882.db2.gz	ZNHGDBJFRCHYRM-UONOGXRCSA-N	1	0	351.451	1.233	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccccc3O)n2)O1	ZINC001130757786	940082495	/nfs/dbraw/zinc/08/24/95/940082495.db2.gz	GQIRXDNQPFPFKU-SWLSCSKDSA-N	1	0	357.414	1.436	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cccc(C)n3)n2)O1	ZINC001130760114	940088257	/nfs/dbraw/zinc/08/82/57/940088257.db2.gz	YMQJANOUJBMXCF-GOEBONIOSA-N	1	0	370.457	1.824	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CO[C@H](C)CC)n2)O1	ZINC001130774968	940092116	/nfs/dbraw/zinc/09/21/16/940092116.db2.gz	HDMXBXYFNRLWTD-QLFBSQMISA-N	1	0	363.462	1.069	20	30		FDEDRO
CC(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(C#N)[nH]3)n2)O1	ZINC001130775481	940093662	/nfs/dbraw/zinc/09/36/62/940093662.db2.gz	XNUOMQLBAZUYBU-DZGCQCFKSA-N	1	0	371.445	1.400	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](CC)OCC)n2)O1	ZINC001130765296	940095875	/nfs/dbraw/zinc/09/58/75/940095875.db2.gz	MCNBWKGKTNELFY-MELADBBJSA-N	1	0	351.451	1.232	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)OCC)n2)O1	ZINC001130767458	940101294	/nfs/dbraw/zinc/10/12/94/940101294.db2.gz	JJCKUCUURSPOSR-SOUVJXGZSA-N	1	0	365.478	1.622	20	30		FDEDRO
C=CCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCOC)O2)n[nH]1	ZINC001130767593	940101342	/nfs/dbraw/zinc/10/13/42/940101342.db2.gz	NRXZKFVLZCUTAG-UONOGXRCSA-N	1	0	351.451	1.233	20	30		FDEDRO
C=CCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C[C@H]3CCOC3)O2)n[nH]1	ZINC001130767642	940102078	/nfs/dbraw/zinc/10/20/78/940102078.db2.gz	QINSMXZDVGAJOZ-QLFBSQMISA-N	1	0	363.462	1.233	20	30		FDEDRO
C=CCOCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C/C=C/Cl)O2)n[nH]1	ZINC001130767615	940102243	/nfs/dbraw/zinc/10/22/43/940102243.db2.gz	PFIHEFZAISCDJQ-SLEPRMHMSA-N	1	0	369.853	1.186	20	30		FDEDRO
C#CCCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC#CC)O2)n[nH]1	ZINC001130776433	940124917	/nfs/dbraw/zinc/12/49/17/940124917.db2.gz	FDSDQOXPKPWAMT-JKSUJKDBSA-N	1	0	357.458	1.448	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C=Cc3ccc[nH]3)n2)O1	ZINC001130776963	940126889	/nfs/dbraw/zinc/12/68/89/940126889.db2.gz	OVALTWDPNCRFFJ-VKFONMJVSA-N	1	0	368.441	1.295	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC3(F)F)n2)O1	ZINC001130778095	940130991	/nfs/dbraw/zinc/13/09/91/940130991.db2.gz	FRCGPAZWDQRJQH-RWMBFGLXSA-N	1	0	369.416	1.852	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3ccoc3)n2)O1	ZINC001130778352	940131658	/nfs/dbraw/zinc/13/16/58/940131658.db2.gz	SUYAJFRBPNIZKK-LSDHHAIUSA-N	1	0	357.414	1.090	20	30		FDEDRO
C#CCCCNC(=O)C(=O)N(CC)CC1CCN(c2ccccn2)CC1	ZINC000806914698	940140512	/nfs/dbraw/zinc/14/05/12/940140512.db2.gz	CREMQLWITVLPEP-UHFFFAOYSA-N	1	0	356.470	1.676	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC(C)(C)O)n2)O1	ZINC001130783301	940142968	/nfs/dbraw/zinc/14/29/68/940142968.db2.gz	WAFCNAMFBPGFHD-UONOGXRCSA-N	1	0	365.478	1.358	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C)co3)n2)O1	ZINC001130796120	940149759	/nfs/dbraw/zinc/14/97/59/940149759.db2.gz	ISTHTGQVSWXFBW-UONOGXRCSA-N	1	0	357.414	1.469	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(F)CCCC3)n2)O1	ZINC001130790013	940161512	/nfs/dbraw/zinc/16/15/12/940161512.db2.gz	CRHFZQNWUJDDBR-UONOGXRCSA-N	1	0	363.437	1.536	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3CC(OC)C3)n2)O1	ZINC001130790389	940164848	/nfs/dbraw/zinc/16/48/48/940164848.db2.gz	XVMUXYYSZFQVKT-OOJKYFRXSA-N	1	0	363.462	1.232	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@]34C[C@H]3CCC4)n2)O1	ZINC001130792820	940172825	/nfs/dbraw/zinc/17/28/25/940172825.db2.gz	ZZMAKDSTCBMAGE-NXEZDXNNSA-N	1	0	357.458	1.444	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3CC4(CC4)C3)n2)O1	ZINC001130806706	940181636	/nfs/dbraw/zinc/18/16/36/940181636.db2.gz	JDUMZZNRURDKMT-LSDHHAIUSA-N	1	0	359.474	1.997	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC34CC4)n2)O1	ZINC001130809341	940187224	/nfs/dbraw/zinc/18/72/24/940187224.db2.gz	SQTIPLJCSKNCOC-RRFJBIMHSA-N	1	0	359.474	1.997	20	30		FDEDRO
CC#CCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC3CC3)O2)n[nH]1	ZINC001130802534	940197890	/nfs/dbraw/zinc/19/78/90/940197890.db2.gz	YQTMAHCAQNQORC-JKSUJKDBSA-N	1	0	359.474	1.834	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)c3cccnc3)n2)O1	ZINC001130816411	940218687	/nfs/dbraw/zinc/21/86/87/940218687.db2.gz	VUFONWCXFKGCBJ-VNQPRFMTSA-N	1	0	370.457	1.615	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3ccc(F)cc3)n2)O1	ZINC001130817591	940222981	/nfs/dbraw/zinc/22/29/81/940222981.db2.gz	VBDCMKVZFLDTEB-JKSUJKDBSA-N	1	0	371.416	1.246	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(C)nc3C)n2)O1	ZINC001130820087	940227086	/nfs/dbraw/zinc/22/70/86/940227086.db2.gz	NKWPPLKPXYWXDB-GOEBONIOSA-N	1	0	368.441	1.189	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(F)s3)n2)O1	ZINC001130820226	940227497	/nfs/dbraw/zinc/22/74/97/940227497.db2.gz	PCDHOLDLVBZGLO-WDEREUQCSA-N	1	0	363.418	1.378	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cn[nH]c3)C2)cc1C#N	ZINC001086650855	940307433	/nfs/dbraw/zinc/30/74/33/940307433.db2.gz	SJDCQWWTNJWCKD-WMLDXEAASA-N	1	0	353.426	1.978	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1	ZINC000807400889	940349884	/nfs/dbraw/zinc/34/98/84/940349884.db2.gz	GQEVVTDEMLBMKC-LPHOPBHVSA-N	1	0	370.497	1.849	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)SC)C[C@H]1c1cncn1C	ZINC001130968499	940376267	/nfs/dbraw/zinc/37/62/67/940376267.db2.gz	AVHCZOVCCXMUOT-BZUAXINKSA-N	1	0	366.531	1.648	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCOCC)C1	ZINC001130967199	940389896	/nfs/dbraw/zinc/38/98/96/940389896.db2.gz	PWTAJIJXNDBSHH-QZTJIDSGSA-N	1	0	360.502	1.924	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@@H]2C(F)F)C[C@H]1c1cncn1C	ZINC001130980928	940395124	/nfs/dbraw/zinc/39/51/24/940395124.db2.gz	SHIHCFRNHSULSN-BYNSBNAKSA-N	1	0	368.428	1.408	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2oc(C)nc2C)C1	ZINC001130977879	940408937	/nfs/dbraw/zinc/40/89/37/940408937.db2.gz	FHKXGHDGUYWHRS-IAGOWNOFSA-N	1	0	369.469	1.913	20	30		FDEDRO
Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1c1cncn1C	ZINC001130985708	940422990	/nfs/dbraw/zinc/42/29/90/940422990.db2.gz	MBLVPTGEUAZTQW-HZPDHXFCSA-N	1	0	369.469	1.850	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnn(C)c2)C1	ZINC001131002021	940428578	/nfs/dbraw/zinc/42/85/78/940428578.db2.gz	XMTQXNUHZUOINE-IAGOWNOFSA-N	1	0	356.474	1.594	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(F)(F)C2)C[C@H]1c1cncn1C	ZINC001131005937	940432025	/nfs/dbraw/zinc/43/20/25/940432025.db2.gz	CXALWIFPZIZTFB-RRFJBIMHSA-N	1	0	350.413	1.763	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2(COC)CCCC2)C[C@H]1c1cncn1C	ZINC001131006073	940432390	/nfs/dbraw/zinc/43/23/90/940432390.db2.gz	KIWBYICHMAMXRS-IAGOWNOFSA-N	1	0	358.486	1.534	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3occc3[nH]2)C[C@H]1c1cncn1C	ZINC001131006273	940433099	/nfs/dbraw/zinc/43/30/99/940433099.db2.gz	VIPSWGHAGWMIGY-CZUORRHYSA-N	1	0	351.410	1.716	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(C)[nH]nc2Cl)C[C@H]1c1cncn1C	ZINC001131007575	940433927	/nfs/dbraw/zinc/43/39/27/940433927.db2.gz	ASYGGSMKYRBXMW-CHWSQXEVSA-N	1	0	362.865	1.879	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2C2CC2)C[C@H]1c1cncn1C	ZINC001130998825	940435482	/nfs/dbraw/zinc/43/54/82/940435482.db2.gz	BXXWMFDVTRMBOK-NVXWUHKLSA-N	1	0	366.469	1.252	20	30		FDEDRO
CC(C)(CNC(=O)C(=O)NCc1cc(C#N)ccc1F)C[NH+]1CCCC1	ZINC000807665549	940437708	/nfs/dbraw/zinc/43/77/08/940437708.db2.gz	KRTAXQPUCAIICQ-UHFFFAOYSA-N	1	0	360.433	1.552	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1c1cncn1C	ZINC001131012109	940443822	/nfs/dbraw/zinc/44/38/22/940443822.db2.gz	BMSUXTCLTDJEMN-RRFJBIMHSA-N	1	0	361.490	1.170	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnc3[nH]ccc3c2)C[C@H]1c1cncn1C	ZINC001131014562	940447837	/nfs/dbraw/zinc/44/78/37/940447837.db2.gz	AFJRFZPEXMKIKN-IAGOWNOFSA-N	1	0	362.437	1.469	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3cccn3cn2)C[C@H]1c1cncn1C	ZINC001131014611	940447853	/nfs/dbraw/zinc/44/78/53/940447853.db2.gz	CDEHRAJYUGBWNJ-SJLPKXTDSA-N	1	0	362.437	1.289	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2cnc(C)c2)C[C@H]1c1cncn1C	ZINC001131014811	940448253	/nfs/dbraw/zinc/44/82/53/940448253.db2.gz	HUIVPHZNSPOLGI-IAGOWNOFSA-N	1	0	370.501	1.820	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2ccncc2)C[C@H]1c1cncn1C	ZINC001131014903	940448360	/nfs/dbraw/zinc/44/83/60/940448360.db2.gz	JYJXUNYMNUYTLS-QXAKKESOSA-N	1	0	365.481	1.916	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1	ZINC000807681254	940454896	/nfs/dbraw/zinc/45/48/96/940454896.db2.gz	GONWFGFUZYKKFG-UHFFFAOYSA-N	1	0	351.491	1.609	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2CCC)C[C@H]1c1cncn1C	ZINC001131022989	940456350	/nfs/dbraw/zinc/45/63/50/940456350.db2.gz	MVXNHZXKTWLUSC-NVXWUHKLSA-N	1	0	354.458	1.317	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)nc2)C[C@H]1c1cncn1C	ZINC001131022909	940456370	/nfs/dbraw/zinc/45/63/70/940456370.db2.gz	KMEFPUPDKPHXHY-IAGOWNOFSA-N	1	0	368.485	1.655	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCOC2)C1	ZINC001086654093	940462130	/nfs/dbraw/zinc/46/21/30/940462130.db2.gz	AWBXJKYNGKMJBQ-LZLYRXPVSA-N	1	0	357.454	1.978	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCc2ccccc2)C[C@H]1c1cncn1C	ZINC001131029036	940463965	/nfs/dbraw/zinc/46/39/65/940463965.db2.gz	XJVBUVJNIUQPEX-QXAKKESOSA-N	1	0	366.465	1.543	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)(C)C)on2)C[C@H]1c1cncn1C	ZINC001131029082	940464050	/nfs/dbraw/zinc/46/40/50/940464050.db2.gz	ZXPVIXHVNRMHEQ-GDBMZVCRSA-N	1	0	369.469	1.927	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC(C)(C)CO2)C[C@H]1c1cncn1C	ZINC001131029029	940464053	/nfs/dbraw/zinc/46/40/53/940464053.db2.gz	WZEWSOPQINTLHM-GVDBMIGSSA-N	1	0	358.486	1.533	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2(CCF)CC2)C[C@H]1c1cncn1C	ZINC001131035442	940464908	/nfs/dbraw/zinc/46/49/08/940464908.db2.gz	ACWJJDJNGBFLKN-HZPDHXFCSA-N	1	0	362.449	1.094	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2coc(OC)n2)C[C@H]1c1cncn1C	ZINC001131038468	940466740	/nfs/dbraw/zinc/46/67/40/940466740.db2.gz	TYMQZWCTWLNVHG-ZIAGYGMSSA-N	1	0	359.430	1.581	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@](C)(C=C)CCOC)C[C@H]1c1cncn1C	ZINC001131040001	940467946	/nfs/dbraw/zinc/46/79/46/940467946.db2.gz	GMLSDZUQGYZZHM-MBOZVWFJSA-N	1	0	358.486	1.556	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(CC)[nH]c(=O)c2)C[C@H]1c1cncn1C	ZINC001131032952	940469960	/nfs/dbraw/zinc/46/99/60/940469960.db2.gz	BNBRUYBQPCMSSA-IAGOWNOFSA-N	1	0	367.453	1.304	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@]2(C)C=CCC2)C[C@H]1c1cncn1C	ZINC001131046125	940475196	/nfs/dbraw/zinc/47/51/96/940475196.db2.gz	CRLRGUKDAOTWOP-MBOZVWFJSA-N	1	0	358.486	1.863	20	30		FDEDRO
COc1ccc(CNC(=O)N2CCC(OCC[NH+](C)C)CC2)cc1C#N	ZINC000747422563	940475355	/nfs/dbraw/zinc/47/53/55/940475355.db2.gz	NIHOCJKGRPBUFB-UHFFFAOYSA-N	1	0	360.458	1.819	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c(C)nc[nH]c2=O)C[C@H]1c1cncn1C	ZINC001131051628	940480159	/nfs/dbraw/zinc/48/01/59/940480159.db2.gz	PTWXJJOAFRZLQJ-HUUCEWRRSA-N	1	0	370.457	1.388	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(OC)cn2)C[C@H]1c1cncn1C	ZINC001131053837	940480690	/nfs/dbraw/zinc/48/06/90/940480690.db2.gz	DEXDXUFRUGUWTP-QZTJIDSGSA-N	1	0	369.469	1.527	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccnc(F)c3)C2)C1=O	ZINC001086655817	940481177	/nfs/dbraw/zinc/48/11/77/940481177.db2.gz	YNRUJZUKSVZQCP-IMJJTQAJSA-N	1	0	360.433	1.496	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2cncs2)C[C@H]1c1cncn1C	ZINC001131070407	940484587	/nfs/dbraw/zinc/48/45/87/940484587.db2.gz	ULYZJMCVFAVAIZ-HZPDHXFCSA-N	1	0	359.499	1.970	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cn2ccc(C)n2)C[C@H]1c1cncn1C	ZINC001131072185	940485139	/nfs/dbraw/zinc/48/51/39/940485139.db2.gz	MJLWWIOFBNUQIW-IAGOWNOFSA-N	1	0	356.474	1.475	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)co2)C[C@H]1c1cncn1C	ZINC001131072445	940485428	/nfs/dbraw/zinc/48/54/28/940485428.db2.gz	ZDLTWNQNVVOGLK-HUUCEWRRSA-N	1	0	371.441	1.276	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccnc(N(C)C)c2)C[C@H]1c1cncn1C	ZINC001131082151	940487977	/nfs/dbraw/zinc/48/79/77/940487977.db2.gz	KEFAENVYWCFVSD-IAGOWNOFSA-N	1	0	366.469	1.102	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)NC(C)=O)C[C@H]1c1cncn1C	ZINC001131073816	940490355	/nfs/dbraw/zinc/49/03/55/940490355.db2.gz	PRTFYJLYXOYRRO-BRWVUGGUSA-N	1	0	361.490	1.185	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCCn2ccnc2C)C[C@H]1c1cncn1C	ZINC001131089435	940494669	/nfs/dbraw/zinc/49/46/69/940494669.db2.gz	HAPKFVBDBFBCMA-QZTJIDSGSA-N	1	0	368.485	1.313	20	30		FDEDRO
C=CCN(C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C(C)C	ZINC000807918847	940495379	/nfs/dbraw/zinc/49/53/79/940495379.db2.gz	FMUGYOKLSODDQV-GOSISDBHSA-N	1	0	359.470	1.292	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C(C)(C)NC(C)=O)C[C@H]1c1cncn1C	ZINC001131096901	940497505	/nfs/dbraw/zinc/49/75/05/940497505.db2.gz	QHKFHHARCAQFJY-HZPDHXFCSA-N	1	0	361.490	1.185	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3nc[nH]c3C2)C[C@H]1c1cncn1C	ZINC001131103620	940501085	/nfs/dbraw/zinc/50/10/85/940501085.db2.gz	SYWYKTPOQPRIKH-HDMKZQKVSA-N	1	0	368.485	1.408	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2C(C)(C)C)C[C@H]1c1cncn1C	ZINC001131107822	940502322	/nfs/dbraw/zinc/50/23/22/940502322.db2.gz	AVXFJIQEVBCQQT-HZPDHXFCSA-N	1	0	368.485	1.662	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCN(C)C(C)=O)C[C@H]1c1cncn1C	ZINC001131115543	940503568	/nfs/dbraw/zinc/50/35/68/940503568.db2.gz	RJFUXFIMLRFMIU-IAGOWNOFSA-N	1	0	361.490	1.139	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(COC)cc2)C[C@H]1c1cncn1C	ZINC001131119815	940505608	/nfs/dbraw/zinc/50/56/08/940505608.db2.gz	XOXZQFDTFSWKJW-RTBURBONSA-N	1	0	366.465	1.788	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cncnc2C(C)C)C[C@H]1c1cncn1C	ZINC001131121009	940506366	/nfs/dbraw/zinc/50/63/66/940506366.db2.gz	IMZINBQCERZDTJ-IAGOWNOFSA-N	1	0	366.469	1.555	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCOc2ccccc2F)C[C@H]1c1cncn1C	ZINC001131121128	940506398	/nfs/dbraw/zinc/50/63/98/940506398.db2.gz	NQPHNFPNUUHRFP-NVXWUHKLSA-N	1	0	370.428	1.546	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)COc2ccccc2)C[C@H]1c1cncn1C	ZINC001131123728	940507189	/nfs/dbraw/zinc/50/71/89/940507189.db2.gz	QEFOSMQQGGHOFG-QXAKKESOSA-N	1	0	366.465	1.652	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COc2ccccc2F)C[C@H]1c1cncn1C	ZINC001131124040	940507383	/nfs/dbraw/zinc/50/73/83/940507383.db2.gz	YOYAPSLGRPDUOF-NVXWUHKLSA-N	1	0	370.428	1.546	20	30		FDEDRO
C=C[C@@H](CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1)c1ccccc1	ZINC001131127786	940509696	/nfs/dbraw/zinc/50/96/96/940509696.db2.gz	CWAJNTUSKILSNO-QXAKKESOSA-N	1	0	368.481	1.656	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2nonc2C)C[C@H]1c1cncn1C	ZINC001131132417	940512444	/nfs/dbraw/zinc/51/24/44/940512444.db2.gz	JVURTLZMYLGGLA-NWANDNLSSA-N	1	0	358.446	1.664	20	30		FDEDRO
C#CCCS(=O)(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1	ZINC000808293448	940538597	/nfs/dbraw/zinc/53/85/97/940538597.db2.gz	YAGOOXMKRDVOOB-MRXNPFEDSA-N	1	0	350.484	1.829	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ccccn2)C1	ZINC001131297688	940544967	/nfs/dbraw/zinc/54/49/67/940544967.db2.gz	JCHHRBKAKFXDTO-NXHRZFHOSA-N	1	0	370.453	1.767	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cc[nH]n2)C1	ZINC001131301381	940547207	/nfs/dbraw/zinc/54/72/07/940547207.db2.gz	SZLVNSTXIIXKFQ-IMJJTQAJSA-N	1	0	359.430	1.095	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)COCCC)C1	ZINC001131307002	940548742	/nfs/dbraw/zinc/54/87/42/940548742.db2.gz	FHSUDZLTLVIBTL-ZACQAIPSSA-N	1	0	365.474	1.485	20	30		FDEDRO
CC(C)C#CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CCC(C)C)C[C@H]32)C1	ZINC001131306906	940548752	/nfs/dbraw/zinc/54/87/52/940548752.db2.gz	BTTBVHMJOAPAOO-KURKYZTESA-N	1	0	361.486	1.798	20	30		FDEDRO
CC/C=C\CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C#CC2CC2)C1	ZINC001131306921	940548809	/nfs/dbraw/zinc/54/88/09/940548809.db2.gz	CEYJRPPVCPEGGC-KPPNVPOGSA-N	1	0	371.481	1.862	20	30		FDEDRO
C#CCC1(C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[N@@H+](CC5CC5)C[C@H]43)C2)CCC1	ZINC001131310179	940549817	/nfs/dbraw/zinc/54/98/17/940549817.db2.gz	KLLXVTWJQWJWPJ-KSZLIROESA-N	1	0	371.481	1.696	20	30		FDEDRO
C=C(C)CN1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1	ZINC001131318789	940551459	/nfs/dbraw/zinc/55/14/59/940551459.db2.gz	QQLUDMFEIWDGQN-ZACQAIPSSA-N	1	0	364.490	1.009	20	30		FDEDRO
C=CCCCCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC[C@@H](C)O2)CC1	ZINC001131385980	940559761	/nfs/dbraw/zinc/55/97/61/940559761.db2.gz	QFTTUHHGJLVTKY-QZTJIDSGSA-N	1	0	365.518	1.951	20	30		FDEDRO
CC(C)n1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1	ZINC001086668290	940565947	/nfs/dbraw/zinc/56/59/47/940565947.db2.gz	LYHLBEOVMKQIQK-GXTWGEPZSA-N	1	0	356.434	1.142	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C=C(C)C)CC1	ZINC001131410387	940565994	/nfs/dbraw/zinc/56/59/94/940565994.db2.gz	GFOOFLNSUIAPBD-SUMDDJOVSA-N	1	0	363.502	1.629	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccn2C)CC1	ZINC001131421505	940566294	/nfs/dbraw/zinc/56/62/94/940566294.db2.gz	HBIOGZZKPZIXEC-MJGOQNOKSA-N	1	0	359.470	1.274	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccc(C)n2)CC1	ZINC001131424480	940566626	/nfs/dbraw/zinc/56/66/26/940566626.db2.gz	LBSWMDWWWYYQQG-QUCCMNQESA-N	1	0	371.481	1.639	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cncs2)CC1	ZINC001131433655	940596820	/nfs/dbraw/zinc/59/68/20/940596820.db2.gz	BLDGITUMCQKRIL-WBVHZDCISA-N	1	0	363.483	1.392	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@H]3CCc4ncnn43)C2)c1	ZINC001086669300	940598815	/nfs/dbraw/zinc/59/88/15/940598815.db2.gz	XSAWXQZIOSBSNS-NWANDNLSSA-N	1	0	353.430	1.153	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(=O)C(C)(C)C)CC1	ZINC001131450961	940604284	/nfs/dbraw/zinc/60/42/84/940604284.db2.gz	BKYYEVFJYVSWGV-SJORKVTESA-N	1	0	366.502	1.790	20	30		FDEDRO
C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCC2CC2)CC1	ZINC001131461504	940614630	/nfs/dbraw/zinc/61/46/30/940614630.db2.gz	OFQQYGWSNOUPDY-QUCCMNQESA-N	1	0	366.502	1.601	20	30		FDEDRO
C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC2CCOCC2)CC1	ZINC001131461119	940615699	/nfs/dbraw/zinc/61/56/99/940615699.db2.gz	FFFPZILSJSDMFE-QUCCMNQESA-N	1	0	366.502	1.601	20	30		FDEDRO
C=CCOCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCC)CC1	ZINC001131467549	940623994	/nfs/dbraw/zinc/62/39/94/940623994.db2.gz	FDNHCSXUUWCXOY-QUCCMNQESA-N	1	0	368.518	1.991	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)/C(C)=C/C)CC1	ZINC001131467677	940624167	/nfs/dbraw/zinc/62/41/67/940624167.db2.gz	KVWNFFIMSZQCAB-BUQJSVRCSA-N	1	0	363.502	1.629	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)n2cncn2)CC1	ZINC001131470668	940626011	/nfs/dbraw/zinc/62/60/11/940626011.db2.gz	NRCJTEQLARYIGN-NXHRZFHOSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](OC)C2CC2)CC1	ZINC001131483156	940638922	/nfs/dbraw/zinc/63/89/22/940638922.db2.gz	QKUKMGFZVAWESG-CEXWTWQISA-N	1	0	366.502	1.600	20	30		FDEDRO
CC(C)C#CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cnn(C)c2)CC1	ZINC001131493967	940645152	/nfs/dbraw/zinc/64/51/52/940645152.db2.gz	XPGBAZKGIOBDMD-QUCCMNQESA-N	1	0	358.486	1.565	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N1CCC([C@@H]2OCC[C@H]2NCC#N)CC1	ZINC001131510397	940658841	/nfs/dbraw/zinc/65/88/41/940658841.db2.gz	GCSJADRKROEGLY-ZACQAIPSSA-N	1	0	354.470	1.176	20	30		FDEDRO
C=C(C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H]2CCCNC2=O)CC1	ZINC001131510668	940659914	/nfs/dbraw/zinc/65/99/14/940659914.db2.gz	WJSYGRAYKPEBDG-LMMKCTJWSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOC)CC1)OCC	ZINC001131510615	940659915	/nfs/dbraw/zinc/65/99/15/940659915.db2.gz	SLZZMJOWRKZUPP-HBFSDRIKSA-N	1	0	368.518	1.990	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccnc3[nH]cnc32)CC1	ZINC001131506595	940668599	/nfs/dbraw/zinc/66/85/99/940668599.db2.gz	GMFJZKDKALNKFJ-AEFFLSMTSA-N	1	0	367.453	1.581	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(N)=O)CC1	ZINC001131506665	940668645	/nfs/dbraw/zinc/66/86/45/940668645.db2.gz	JLGHDNICZKDCOM-OLMNPRSZSA-N	1	0	363.502	1.614	20	30		FDEDRO
C#CCC1(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC=C)CC2)CCOCC1	ZINC001131515655	940680907	/nfs/dbraw/zinc/68/09/07/940680907.db2.gz	XARPWCVLGMNTEK-MOPGFXCFSA-N	1	0	360.498	1.978	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COc2cc(C)on2)CC1	ZINC001131517106	940684421	/nfs/dbraw/zinc/68/44/21/940684421.db2.gz	KVHOOURVMQEMEJ-APWZRJJASA-N	1	0	361.442	1.371	20	30		FDEDRO
CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000808977050	940686891	/nfs/dbraw/zinc/68/68/91/940686891.db2.gz	QPLOWXXNBYQMSO-ZDUSSCGKSA-N	1	0	364.421	1.903	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccn(C)c(=O)c2)CC1	ZINC001131519178	940688361	/nfs/dbraw/zinc/68/83/61/940688361.db2.gz	IPDNBHWGGCHMKW-MJGOQNOKSA-N	1	0	357.454	1.008	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccc(C(N)=O)c2)CC1	ZINC001131519186	940688486	/nfs/dbraw/zinc/68/84/86/940688486.db2.gz	IUZQGBALUUZGKR-MOPGFXCFSA-N	1	0	369.465	1.408	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn3ccncc23)CC1	ZINC001131512146	940694241	/nfs/dbraw/zinc/69/42/41/940694241.db2.gz	PMWAKMHTJTZPIZ-MJGOQNOKSA-N	1	0	367.453	1.352	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccc3nccn32)CC1	ZINC001131528026	940697447	/nfs/dbraw/zinc/69/74/47/940697447.db2.gz	GNJODQXUPDGUDU-XLIONFOSSA-N	1	0	366.465	1.957	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(=O)NC)CC1	ZINC001131546276	940722327	/nfs/dbraw/zinc/72/23/27/940722327.db2.gz	UNEQODONACTJRJ-BMFZPTHFSA-N	1	0	351.491	1.319	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(C(F)F)n[nH]2)CC1	ZINC001131561930	940735707	/nfs/dbraw/zinc/73/57/07/940735707.db2.gz	GIUPQODELVINPJ-CJNGLKHVSA-N	1	0	366.412	1.970	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cncc(C#C)c2)CC1	ZINC001131561962	940735727	/nfs/dbraw/zinc/73/57/27/940735727.db2.gz	HNSFSTXZCYXPQY-UXHICEINSA-N	1	0	351.450	1.686	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(COC)on2)CC1	ZINC001131574964	940751659	/nfs/dbraw/zinc/75/16/59/940751659.db2.gz	MYIXGHDWIXOKKI-AEFFLSMTSA-N	1	0	361.442	1.444	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1	ZINC001131577688	940754767	/nfs/dbraw/zinc/75/47/67/940754767.db2.gz	BJHZMUZDEMZICA-RDGPPVDQSA-N	1	0	366.502	1.336	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn(CCC=C)nn2)CC1	ZINC001131578269	940755149	/nfs/dbraw/zinc/75/51/49/940755149.db2.gz	OAOMVAOGPFBNIJ-MJGOQNOKSA-N	1	0	371.485	1.477	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnc(OC)nc2)CC1	ZINC001131588094	940757117	/nfs/dbraw/zinc/75/71/17/940757117.db2.gz	QBBGGHODVLBQJW-SJORKVTESA-N	1	0	358.442	1.108	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H](OC)C(F)(F)F)CC1	ZINC001131590745	940760645	/nfs/dbraw/zinc/76/06/45/940760645.db2.gz	RASQCBRCRHWUML-YCPHGPKFSA-N	1	0	362.392	1.573	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(NC(C)=O)CCCC2)CC1	ZINC001131580275	940766268	/nfs/dbraw/zinc/76/62/68/940766268.db2.gz	NYUFYMKXJOQPLZ-MSOLQXFVSA-N	1	0	363.502	1.607	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2COc3ccccc3C2)nc1	ZINC000809203885	940784396	/nfs/dbraw/zinc/78/43/96/940784396.db2.gz	QKZARHDOPCBFFT-OAHLLOKOSA-N	1	0	357.435	1.568	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1	ZINC001131612884	940792527	/nfs/dbraw/zinc/79/25/27/940792527.db2.gz	QRKOINXCXRCNHS-IKGGRYGDSA-N	1	0	364.490	1.091	20	30		FDEDRO
C=CCC1(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(N)=O)CC2)CCCC1	ZINC001131620885	940796363	/nfs/dbraw/zinc/79/63/63/940796363.db2.gz	MQWDEPQLOFENOQ-AEFFLSMTSA-N	1	0	363.502	1.594	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC[C@H](C(CC)CC)[NH+]1CCCC1)[C@@H]1CCCO1	ZINC000809313727	940816852	/nfs/dbraw/zinc/81/68/52/940816852.db2.gz	UQYAZCBXZGRDJA-KSZLIROESA-N	1	0	363.502	1.300	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1C#N	ZINC000809504648	940846767	/nfs/dbraw/zinc/84/67/67/940846767.db2.gz	PDGYITANPYVWFM-KRWDZBQOSA-N	1	0	372.469	1.420	20	30		FDEDRO
C#C[C@@H](C)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C	ZINC000809806769	940898268	/nfs/dbraw/zinc/89/82/68/940898268.db2.gz	HAEMBEDCQJFJSK-QGZVFWFLSA-N	1	0	352.486	1.638	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N(C)C2CN(C(=O)OC(C)(C)C)C2)CC1	ZINC000812032799	941179550	/nfs/dbraw/zinc/17/95/50/941179550.db2.gz	RQMDRXHGKNFAAU-UHFFFAOYSA-N	1	0	352.479	1.898	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](CCO)CC[C@@H]2CCOC2)CC1	ZINC001098482662	941183286	/nfs/dbraw/zinc/18/32/86/941183286.db2.gz	UUBNNKWAYMENGJ-QRQLOZEOSA-N	1	0	366.502	1.289	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)NCCOc2cccc(C)c2)CC1	ZINC000747818010	941272943	/nfs/dbraw/zinc/27/29/43/941272943.db2.gz	CYVHTJKMEWAFKW-QGZVFWFLSA-N	1	0	371.481	1.340	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)CC1	ZINC000812873432	941284262	/nfs/dbraw/zinc/28/42/62/941284262.db2.gz	AYBGKMWFIJDFEL-JOCHJYFZSA-N	1	0	369.509	1.081	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)N2CCCc3ccccc32)CC1	ZINC000747824736	941290573	/nfs/dbraw/zinc/29/05/73/941290573.db2.gz	QKEITXIHSPZKLG-INIZCTEOSA-N	1	0	353.466	1.816	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=NOCc2nnnn2-c2ccccc2)cc1	ZINC000747838539	941325479	/nfs/dbraw/zinc/32/54/79/941325479.db2.gz	FBQBFAZYMYPBCZ-UHFFFAOYSA-N	1	0	351.414	1.561	20	30		FDEDRO
CCN1C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)CC1=O	ZINC001086711079	941361078	/nfs/dbraw/zinc/36/10/78/941361078.db2.gz	WJIYDWLVAFVHBB-KFKAGJAMSA-N	1	0	368.481	1.801	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccc(Cl)cc1	ZINC001134054385	941531026	/nfs/dbraw/zinc/53/10/26/941531026.db2.gz	HTXHIYVLFXAEJV-CABCVRRESA-N	1	0	351.834	1.575	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC1(c2ccccc2)CCC1	ZINC001134054328	941531095	/nfs/dbraw/zinc/53/10/95/941531095.db2.gz	FZTCOHWGUQQAEK-MSOLQXFVSA-N	1	0	371.481	1.479	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)Nc1c(F)cccc1F	ZINC001134061690	941540490	/nfs/dbraw/zinc/54/04/90/941540490.db2.gz	CWTFIJKGMLZHBL-ZOWXZIJZSA-N	1	0	367.396	1.589	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NCc1ccc(C)cc1	ZINC001134062085	941540772	/nfs/dbraw/zinc/54/07/72/941540772.db2.gz	QQMKJGJFYJOQNL-JQHSSLGASA-N	1	0	359.470	1.297	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc4n(n3)CCO4)C2)cc1	ZINC001086718525	941577968	/nfs/dbraw/zinc/57/79/68/941577968.db2.gz	DCQVJJQFTRFKSX-DLBZAZTESA-N	1	0	365.437	1.835	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cncc(F)c2)C1	ZINC001086720832	941619892	/nfs/dbraw/zinc/61/98/92/941619892.db2.gz	QRSAQVBWPXPMOB-IPELMVKDSA-N	1	0	358.461	1.693	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2csc(C)n2)C1	ZINC001086721033	941640374	/nfs/dbraw/zinc/64/03/74/941640374.db2.gz	BTFYAVBOPYIJCF-JZXOWHBKSA-N	1	0	360.527	1.924	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@@H](O)COc2ccccc2Cl)CC1	ZINC000747969042	941708269	/nfs/dbraw/zinc/70/82/69/941708269.db2.gz	NJTNTCROMITLKA-OAHLLOKOSA-N	1	0	350.846	1.541	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC1	ZINC000747980538	941726994	/nfs/dbraw/zinc/72/69/94/941726994.db2.gz	ZQWHWNIZGALIST-LJQANCHMSA-N	1	0	370.497	1.330	20	30		FDEDRO
CCOc1ccc2c(c1)C(=NNC(=S)NCCC[NH+](C)C)CCO2	ZINC000814845728	941730191	/nfs/dbraw/zinc/73/01/91/941730191.db2.gz	TWAJVGHKPWESBV-UHFFFAOYSA-N	1	0	350.488	1.988	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1cccc(Br)c1C	ZINC000815082179	941777886	/nfs/dbraw/zinc/77/78/86/941777886.db2.gz	CROOVYOBGTYEOY-UHFFFAOYSA-N	1	0	359.289	1.991	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1cccc(C(=O)N(C)CC)c1	ZINC000815083094	941778362	/nfs/dbraw/zinc/77/83/62/941778362.db2.gz	OOVUKHHDAKHDBS-UHFFFAOYSA-N	1	0	351.472	1.012	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C)C1	ZINC001135058352	941874218	/nfs/dbraw/zinc/87/42/18/941874218.db2.gz	MTGPUFBUBRWDNC-BQFCYCMXSA-N	1	0	351.491	1.322	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N(C)[C@@H](C)CC(C)C	ZINC001135067581	941883385	/nfs/dbraw/zinc/88/33/85/941883385.db2.gz	BUFODVLMIRDBRY-LNLFQRSKSA-N	1	0	367.534	1.957	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cnc[nH]c2=O)C1	ZINC001086728043	941890136	/nfs/dbraw/zinc/89/01/36/941890136.db2.gz	JNLMULVQGKNPMD-XJKSGUPXSA-N	1	0	351.410	1.742	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC1CCCCCCC1	ZINC001135142116	941927235	/nfs/dbraw/zinc/92/72/35/941927235.db2.gz	GZUUUYCGBCUNAK-HKUYNNGSSA-N	1	0	365.518	1.903	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N(CC)C1CCCCC1	ZINC001135145512	941929167	/nfs/dbraw/zinc/92/91/67/941929167.db2.gz	MAPFMKPWPHKJNV-HKUYNNGSSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCC(F)(F)C(=O)N(CC[NH+](CC)CC)[C@H]1CCS(=O)(=O)C1	ZINC000815874990	941992689	/nfs/dbraw/zinc/99/26/89/941992689.db2.gz	ABPICBHDKVPTMS-ZDUSSCGKSA-N	1	0	352.447	1.555	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccccc1-c1noc(C)n1	ZINC000815861401	941996939	/nfs/dbraw/zinc/99/69/39/941996939.db2.gz	GYDMIOPYCICORQ-UHFFFAOYSA-N	1	0	355.398	1.055	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1c(F)cc(Cl)c(C)c1F	ZINC000815861206	941997521	/nfs/dbraw/zinc/99/75/21/941997521.db2.gz	WRDAORHXKZTMLH-UHFFFAOYSA-N	1	0	357.788	1.936	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1csc(-c2ccccc2)n1	ZINC000815860853	941997674	/nfs/dbraw/zinc/99/76/74/941997674.db2.gz	DNCOEZZLLKWCAI-UHFFFAOYSA-N	1	0	356.451	1.820	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1COC(=O)[C@@H](NC(=O)COc1ccccc1)C(C)C	ZINC000815940093	942015087	/nfs/dbraw/zinc/01/50/87/942015087.db2.gz	JZZYITDBJLZEKK-PXNSSMCTSA-N	1	0	372.465	1.847	20	30		FDEDRO
C#CC[C@@]1(C(=O)N2CCC3(C[NH+](C)C3)C2)CCCN1C(=O)OC(C)(C)C	ZINC000816354518	942165476	/nfs/dbraw/zinc/16/54/76/942165476.db2.gz	KUNKYBNDMILYCW-FQEVSTJZSA-N	1	0	361.486	1.944	20	30		FDEDRO
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1	ZINC000816362939	942169150	/nfs/dbraw/zinc/16/91/50/942169150.db2.gz	XVMFRKBDYMBIIE-LJQANCHMSA-N	1	0	356.426	1.779	20	30		FDEDRO
CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](C[NH2+]CC2(C#N)CC2)C1	ZINC000816597655	942271827	/nfs/dbraw/zinc/27/18/27/942271827.db2.gz	AONLSVQEVPJNOT-AWEZNQCLSA-N	1	0	350.463	1.643	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1	ZINC001086779123	942477971	/nfs/dbraw/zinc/47/79/71/942477971.db2.gz	YWGCJCYWKGFOOX-UNWJWSRZSA-N	1	0	369.465	1.834	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cncc(OC)n3)C2)c1	ZINC001086798726	942622294	/nfs/dbraw/zinc/62/22/94/942622294.db2.gz	COVUFJQUVZNNSA-DOTOQJQBSA-N	1	0	365.437	1.550	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H](C)c3nnc(CC)[nH]3)C2)c1	ZINC001086798732	942623070	/nfs/dbraw/zinc/62/30/70/942623070.db2.gz	CTOSNWBTMIFLPC-JLJPHGGASA-N	1	0	366.469	1.993	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC001086803938	942767285	/nfs/dbraw/zinc/76/72/85/942767285.db2.gz	IWVXHZCHPMGZTB-RFQIPJPRSA-N	1	0	372.307	1.671	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnc(C3CC3)n2C)C1	ZINC001086806153	942801428	/nfs/dbraw/zinc/80/14/28/942801428.db2.gz	DTICXELTZFULPG-SVGFKBNWSA-N	1	0	373.501	1.658	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCCCC2)C1	ZINC001086806252	942803163	/nfs/dbraw/zinc/80/31/63/942803163.db2.gz	KHMHVOKZYGDVAH-MLHJIOFPSA-N	1	0	363.502	1.465	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c1	ZINC000817770162	942937818	/nfs/dbraw/zinc/93/78/18/942937818.db2.gz	GJHYGAMSSGZEAN-HXUWFJFHSA-N	1	0	363.461	1.573	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2(C)C[NH2+]C2)c1	ZINC000817923103	943080420	/nfs/dbraw/zinc/08/04/20/943080420.db2.gz	RYUBFDJZZFDEFI-RGEXLXHISA-N	1	0	350.444	1.047	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1cccc(CN2C(=O)CSC2=O)c1	ZINC000818584462	943294565	/nfs/dbraw/zinc/29/45/65/943294565.db2.gz	NRKKZAHBYVRSKN-UHFFFAOYSA-N	1	0	359.451	1.567	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1cncn1C	ZINC000818589289	943296047	/nfs/dbraw/zinc/29/60/47/943296047.db2.gz	VOLUNQWMGZWHPF-VQIMIIECSA-N	1	0	373.501	1.181	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1	ZINC000818593141	943323710	/nfs/dbraw/zinc/32/37/10/943323710.db2.gz	NQGSVMDOYYNDBL-UHFFFAOYSA-N	1	0	366.347	1.366	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H]3CCCNC3=O)C2)cc1	ZINC001086822106	943325326	/nfs/dbraw/zinc/32/53/26/943325326.db2.gz	PYQJVBDJEILYRV-WDYCEAGBSA-N	1	0	369.465	1.465	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CCc1c(C)nc(-c2ccncc2)[nH]c1=O	ZINC000818606054	943330318	/nfs/dbraw/zinc/33/03/18/943330318.db2.gz	BOWUKRXBIKXQET-UHFFFAOYSA-N	1	0	367.453	1.144	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[NH2+]CCS(=O)(=O)NCc2ccccc2)cc1	ZINC000818960653	943343216	/nfs/dbraw/zinc/34/32/16/943343216.db2.gz	JNUCOPXTLJSWPK-GOSISDBHSA-N	1	0	359.451	1.301	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3csc(C)n3)C2)nn1	ZINC001086823552	943389460	/nfs/dbraw/zinc/38/94/60/943389460.db2.gz	KIFCKMFAAUBTJK-UONOGXRCSA-N	1	0	360.487	1.917	20	30		FDEDRO
N#Cc1cccnc1NCC[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21	ZINC000818974773	943389615	/nfs/dbraw/zinc/38/96/15/943389615.db2.gz	FHFYASDNPREONI-OAHLLOKOSA-N	1	0	351.410	1.876	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]CC[S@@](=O)Cc2ccccc2)cc1	ZINC000819043824	943392786	/nfs/dbraw/zinc/39/27/86/943392786.db2.gz	VSKQLTLPCKRRPE-AVRWGWEMSA-N	1	0	358.463	1.836	20	30		FDEDRO
O=C(NCC[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21)C1N=CC=CC1=O	ZINC000819049481	943394874	/nfs/dbraw/zinc/39/48/74/943394874.db2.gz	KZIXBXMMIZKADR-LTFJSZEESA-N	1	0	370.409	1.024	20	30		FDEDRO
CN(c1ccc(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)cc1)S(C)(=O)=O	ZINC000819054112	943397159	/nfs/dbraw/zinc/39/71/59/943397159.db2.gz	VWWOSHQBNFCHMQ-GOSISDBHSA-N	1	0	359.451	1.777	20	30		FDEDRO
C[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)CC1(C)OCCO1	ZINC000819096328	943419063	/nfs/dbraw/zinc/41/90/63/943419063.db2.gz	MLKHJTBAVPLZTI-AWEZNQCLSA-N	1	0	352.456	1.711	20	30		FDEDRO
C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)CC1(C)OCCO1	ZINC000819096329	943419184	/nfs/dbraw/zinc/41/91/84/943419184.db2.gz	MLKHJTBAVPLZTI-CQSZACIVSA-N	1	0	352.456	1.711	20	30		FDEDRO
COC(=O)c1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(OC)c(C#N)c2)cc1	ZINC000819182422	943466438	/nfs/dbraw/zinc/46/64/38/943466438.db2.gz	NDMSAYRXBAYOCD-KRWDZBQOSA-N	1	0	370.405	1.883	20	30		FDEDRO
COc1ccc(C2=NO[C@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)C2)cc1F	ZINC000819294545	943507275	/nfs/dbraw/zinc/50/72/75/943507275.db2.gz	ZJQPNYYHSBBAAV-CABCVRRESA-N	1	0	364.421	1.123	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)cc1	ZINC000819314293	943544197	/nfs/dbraw/zinc/54/41/97/943544197.db2.gz	WSGSYRSVNFMHFI-PKOBYXMFSA-N	1	0	371.462	1.644	20	30		FDEDRO
CN(CCC#N)C[C@H](O)CNc1ccc(N(C)C2CC[NH+](C)CC2)cc1	ZINC000819418656	943580688	/nfs/dbraw/zinc/58/06/88/943580688.db2.gz	ZYYNVLOSHBOQLN-HXUWFJFHSA-N	1	0	359.518	1.835	20	30		FDEDRO
CON=C(C(=O)N1CCC(N(C)CC(F)F)CC1)c1csc(N)n1	ZINC000820360823	944032016	/nfs/dbraw/zinc/03/20/16/944032016.db2.gz	HHXMIWMWANHRDJ-UHFFFAOYSA-N	1	0	361.418	1.264	20	30		FDEDRO
N#CC1(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)CCSCC1	ZINC000820442730	944044156	/nfs/dbraw/zinc/04/41/56/944044156.db2.gz	WISKDTOFZDDORN-UHFFFAOYSA-N	1	0	352.504	1.132	20	30		FDEDRO
C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1	ZINC001195581066	971051155	/nfs/dbraw/zinc/05/11/55/971051155.db2.gz	MSAMNZQZHPFIBM-CEXWTWQISA-N	1	0	365.518	1.147	20	30		FDEDRO
CC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C[C@@H]2C1	ZINC000821329010	944420997	/nfs/dbraw/zinc/42/09/97/944420997.db2.gz	TWRXNWFIOCQOMS-ZIFCJYIRSA-N	1	0	352.438	1.464	20	30		FDEDRO
C[N@H+](CC(=O)N[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1O)CC(C)(C)C	ZINC001090540444	944557821	/nfs/dbraw/zinc/55/78/21/944557821.db2.gz	XDNXMMLASYPKQQ-NVXWUHKLSA-N	1	0	362.449	1.341	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3ccncc3)on2)C1	ZINC001195690764	971138627	/nfs/dbraw/zinc/13/86/27/971138627.db2.gz	FBZYLMRNHPNSEN-IAOVAPTHSA-N	1	0	356.426	1.866	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)c1ccncc1	ZINC000805808929	945379525	/nfs/dbraw/zinc/37/95/25/945379525.db2.gz	YWRXRDNLFSMDGU-BZSNNMDCSA-N	1	0	356.470	1.758	20	30		FDEDRO
C#C[C@@H](NC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCOCC1	ZINC000823181819	945523322	/nfs/dbraw/zinc/52/33/22/945523322.db2.gz	OYMCCIXNSBCESI-TZIWHRDSSA-N	1	0	371.481	1.351	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccncc1	ZINC000805816205	945533872	/nfs/dbraw/zinc/53/38/72/945533872.db2.gz	VRZDGFZJVJKUAI-OKZBNKHCSA-N	1	0	356.470	1.758	20	30		FDEDRO
C=CCn1nc(C)c(-c2cc(C(=O)N(CCOC)CC[NH+](C)C)[nH]n2)c1C	ZINC001136717656	945728498	/nfs/dbraw/zinc/72/84/98/945728498.db2.gz	WDEUTYXBCKGBPG-UHFFFAOYSA-N	1	0	374.489	1.726	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)n1	ZINC001090710793	945934760	/nfs/dbraw/zinc/93/47/60/945934760.db2.gz	ATFOJJFLKUZSSP-RVKKMQEKSA-N	1	0	371.485	1.171	20	30		FDEDRO
COC(=O)[C@@H]1CC[C@@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000824253915	946312850	/nfs/dbraw/zinc/31/28/50/946312850.db2.gz	UFFLSSWAAYLAAU-ZWKOTPCHSA-N	1	0	355.438	1.838	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)C(=O)c2ccccc2)C1	ZINC001195783331	971225390	/nfs/dbraw/zinc/22/53/90/971225390.db2.gz	IYVBMBIEVXWKKR-KBAYOESNSA-N	1	0	359.470	1.275	20	30		FDEDRO
C=C(CCC(=O)OC)C(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1	ZINC001136884599	946473877	/nfs/dbraw/zinc/47/38/77/946473877.db2.gz	NCIQONLSQJWZFS-MRXNPFEDSA-N	1	0	360.458	1.218	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)Nc3ccc(F)cc3OCC#N)[C@@H]2C1	ZINC000824668532	946661790	/nfs/dbraw/zinc/66/17/90/946661790.db2.gz	RQQHVKQVXIOUBT-SWLSCSKDSA-N	1	0	360.389	1.219	20	30		FDEDRO
C#CCN(C(=O)CC)C1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1	ZINC001573281639	946679883	/nfs/dbraw/zinc/67/98/83/946679883.db2.gz	APGDOWIAOKNCRJ-UHFFFAOYSA-N	1	0	353.430	1.411	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)C2	ZINC001573282396	946691130	/nfs/dbraw/zinc/69/11/30/946691130.db2.gz	JVKIHYVBVNUNMM-UGSOOPFHSA-N	1	0	353.430	1.050	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1C	ZINC001573283129	946707159	/nfs/dbraw/zinc/70/71/59/946707159.db2.gz	RWFKGFXLMYBXSB-CRAIPNDOSA-N	1	0	366.469	1.997	20	30		FDEDRO
C#CCCCC(=O)NC[C@H](CC)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F	ZINC001573284077	946734672	/nfs/dbraw/zinc/73/46/72/946734672.db2.gz	QYNHWGBNDIUULN-HNNXBMFYSA-N	1	0	358.421	1.794	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573285393	946779048	/nfs/dbraw/zinc/77/90/48/946779048.db2.gz	XANAODWPHGOCKW-DOTOQJQBSA-N	1	0	366.469	1.997	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H](C)C[NH2+]Cc2ccccc2-c2nn[nH]n2)cc1	ZINC001573288911	946878642	/nfs/dbraw/zinc/87/86/42/946878642.db2.gz	VHZOCFKJAVSNAU-AWEZNQCLSA-N	1	0	360.421	1.756	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN([C@H](C)C(=O)NCCCC)C[C@H]2O)CC1	ZINC001195877253	971301427	/nfs/dbraw/zinc/30/14/27/971301427.db2.gz	YDVSDIQINHTAIW-DJIMGWMZSA-N	1	0	351.491	1.199	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CC1	ZINC001573560296	946950008	/nfs/dbraw/zinc/95/00/08/946950008.db2.gz	AYUZJYZAQOEICV-BDJLRTHQSA-N	1	0	371.420	1.492	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C(C)(C)C1	ZINC001573560565	946954194	/nfs/dbraw/zinc/95/41/94/946954194.db2.gz	DIMKVUPJVFZZPT-IUODEOHRSA-N	1	0	353.430	1.353	20	30		FDEDRO
CC(C)[C@@H](CCN(C)C(=O)[C@@H](C)C#N)Nc1cc[nH+]cc1-c1nn[nH]n1	ZINC001573561397	946961825	/nfs/dbraw/zinc/96/18/25/946961825.db2.gz	KCSMRPLCCQRSFS-GXTWGEPZSA-N	1	0	356.434	1.128	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C(C)(C)C1	ZINC001573561506	946963538	/nfs/dbraw/zinc/96/35/38/946963538.db2.gz	LJESPKUQLUFNLH-ZWNOBZJWSA-N	1	0	359.459	1.414	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)Nc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C	ZINC001136998214	946999845	/nfs/dbraw/zinc/99/98/45/946999845.db2.gz	GUWFVTSHXIDNIO-CQSZACIVSA-N	1	0	354.476	1.306	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573565722	947013277	/nfs/dbraw/zinc/01/32/77/947013277.db2.gz	UXTYKIFOGCJOLI-UONOGXRCSA-N	1	0	353.430	1.307	20	30		FDEDRO
C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1	ZINC001573295545	947022306	/nfs/dbraw/zinc/02/23/06/947022306.db2.gz	REHGBUJYAHJYSC-ZDUSSCGKSA-N	1	0	361.837	1.532	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1ccccc1-c1nn[nH]n1	ZINC001573566285	947022706	/nfs/dbraw/zinc/02/27/06/947022706.db2.gz	AQBJQSKSNUOULZ-ZBFHGGJFSA-N	1	0	367.457	1.839	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCCCC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573566614	947030265	/nfs/dbraw/zinc/03/02/65/947030265.db2.gz	DSBHZUMIKBEPFU-YOEHRIQHSA-N	1	0	367.457	1.887	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573567966	947063032	/nfs/dbraw/zinc/06/30/32/947063032.db2.gz	VPFCTIIVQLOJDT-AAEUAGOBSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@](C)(C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CC1	ZINC001573570028	947080406	/nfs/dbraw/zinc/08/04/06/947080406.db2.gz	IPNMXMAPWOIOFH-ADLMAVQZSA-N	1	0	371.420	1.540	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21	ZINC001573570421	947085671	/nfs/dbraw/zinc/08/56/71/947085671.db2.gz	OGZYOUFDLRJBFL-NTZNESFSSA-N	1	0	357.443	1.121	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573299121	947087865	/nfs/dbraw/zinc/08/78/65/947087865.db2.gz	DAHFNSPUXMVTOS-CQSZACIVSA-N	1	0	358.421	1.909	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1	ZINC001573571750	947102784	/nfs/dbraw/zinc/10/27/84/947102784.db2.gz	ALXHHRKTCNQKTG-SWLSCSKDSA-N	1	0	371.420	1.636	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573300478	947113868	/nfs/dbraw/zinc/11/38/68/947113868.db2.gz	YBGDCFITHIXDBN-DGCLKSJQSA-N	1	0	363.853	1.826	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@@H]1CCCCN1Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573577040	947160290	/nfs/dbraw/zinc/16/02/90/947160290.db2.gz	LLGKRWIPXNMPME-DOMZBBRYSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@@H]([NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CC1	ZINC001573577192	947164562	/nfs/dbraw/zinc/16/45/62/947164562.db2.gz	NEBUQBVJJSGLNL-MEBBXXQBSA-N	1	0	357.393	1.150	20	30		FDEDRO
C=CC(C)(C)CC(=O)NC[C@@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001573307329	947180850	/nfs/dbraw/zinc/18/08/50/947180850.db2.gz	QVRHWSOYJXQWRP-AWEZNQCLSA-N	1	0	358.446	1.036	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1-c1nn[nH]n1	ZINC001573585260	947251876	/nfs/dbraw/zinc/25/18/76/947251876.db2.gz	MNDRQZFWHGPZMA-ZCDTZLGTSA-N	1	0	351.414	1.248	20	30		FDEDRO
C=CCCC(=O)N1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2OC)[C@@H]1C	ZINC001573330561	947435582	/nfs/dbraw/zinc/43/55/82/947435582.db2.gz	YYVQDUZQLZUMSJ-BBRMVZONSA-N	1	0	370.457	1.921	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](c3ccc(OC)cc3)[C@H](NCC#N)C2)CC[N@@H+]1C	ZINC001090872086	947468174	/nfs/dbraw/zinc/46/81/74/947468174.db2.gz	FDYOJIXNKZTDIP-VNTMZGSJSA-N	1	0	370.497	1.833	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)C1	ZINC001573335521	947478885	/nfs/dbraw/zinc/47/88/85/947478885.db2.gz	QIKGTWPXBMGKEH-HNNXBMFYSA-N	1	0	369.473	1.945	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)C1	ZINC001573335522	947479051	/nfs/dbraw/zinc/47/90/51/947479051.db2.gz	QIKGTWPXBMGKEH-OAHLLOKOSA-N	1	0	369.473	1.945	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1c1ccc(OC)cc1	ZINC001090875321	947490114	/nfs/dbraw/zinc/49/01/14/947490114.db2.gz	NOUPRUHUMCRTFK-DLBZAZTESA-N	1	0	354.410	1.575	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573336166	947501581	/nfs/dbraw/zinc/50/15/81/947501581.db2.gz	JZKBXIMKTBUDDE-MRXNPFEDSA-N	1	0	356.430	1.150	20	30		FDEDRO
C=CCCOCC(=O)N[C@H]1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573336828	947510773	/nfs/dbraw/zinc/51/07/73/947510773.db2.gz	RUCZMTXRUASMCA-KBPBESRZSA-N	1	0	371.445	1.116	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cn2ccnc2C)C[C@H]1c1ccc(OC)cc1	ZINC001090885028	947655437	/nfs/dbraw/zinc/65/54/37/947655437.db2.gz	APFCWUGBLMPERK-RBUKOAKNSA-N	1	0	354.454	1.970	20	30		FDEDRO
CC(C)c1ccc([C@@H]([NH3+])CNC(=O)CCNC(=O)C2N=CC=CC2=O)cc1	ZINC000844164399	947809030	/nfs/dbraw/zinc/80/90/30/947809030.db2.gz	GJQAPITYZSFUKG-QBNCKDSPSA-N	1	0	370.453	1.843	20	30		FDEDRO
CO[C@@H]1CN(c2nc(C)ccc2C#N)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C	ZINC001090949162	948084940	/nfs/dbraw/zinc/08/49/40/948084940.db2.gz	IXHVOBBAQODKAW-KZNAEPCWSA-N	1	0	371.485	1.456	20	30		FDEDRO
CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2cnc(C#N)cn2)C1)C(C)C	ZINC001090993464	948280781	/nfs/dbraw/zinc/28/07/81/948280781.db2.gz	IGBHGAAXGWNRGY-QGPMSJSTSA-N	1	0	358.490	1.973	20	30		FDEDRO
Cc1cc(C#N)nc(N[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]2C)n1	ZINC001091024330	948517505	/nfs/dbraw/zinc/51/75/05/948517505.db2.gz	HRSAQZWILZGLKF-CZUORRHYSA-N	1	0	358.490	1.893	20	30		FDEDRO
COC(=O)NCCCC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000845002358	948582618	/nfs/dbraw/zinc/58/26/18/948582618.db2.gz	JVAFRDPBKXGMLH-UHFFFAOYSA-N	1	0	358.442	1.775	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N1CCO[C@@H]2CN(c3nc(C)ccc3C#N)C[C@@H]21	ZINC001091051380	948665777	/nfs/dbraw/zinc/66/57/77/948665777.db2.gz	XUSQDVIOGRNPSZ-DLBZAZTESA-N	1	0	357.458	1.020	20	30		FDEDRO
CC(=O)N[C@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)C(C)C	ZINC001144367787	948834574	/nfs/dbraw/zinc/83/45/74/948834574.db2.gz	YPZPQXWVSRRAGB-SFHVURJKSA-N	1	0	356.470	1.822	20	30		FDEDRO
C=C(Cc1ccccc1)C(=O)N1CCC2(CCC[N@H+]2CC(=O)NC)CC1	ZINC001144390225	948885097	/nfs/dbraw/zinc/88/50/97/948885097.db2.gz	LLZUOIIDBHTVAU-UHFFFAOYSA-N	1	0	355.482	1.988	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573793004	949277266	/nfs/dbraw/zinc/27/72/66/949277266.db2.gz	HYAGFIBQROQUAV-MRXNPFEDSA-N	1	0	352.442	1.607	20	30		FDEDRO
CC(C)(C)C#CC(=O)NC[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573793517	949295696	/nfs/dbraw/zinc/29/56/96/949295696.db2.gz	SWFXXDCTKSPQQH-AWEZNQCLSA-N	1	0	367.457	1.644	20	30		FDEDRO
COCCOCCOCCOCC[NH2+][C@H](C)Cc1cccc(C#N)c1	ZINC001171189834	949443756	/nfs/dbraw/zinc/44/37/56/949443756.db2.gz	NHJPJHONTXUCJG-QGZVFWFLSA-N	1	0	350.459	1.775	20	30		FDEDRO
C=C(C)CONC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1	ZINC000845596143	949688235	/nfs/dbraw/zinc/68/82/35/949688235.db2.gz	PUYNKOQHXMNLCL-UHFFFAOYSA-N	1	0	354.495	1.620	20	30		FDEDRO
C=C[C@@H](C)ONC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000845635489	949719268	/nfs/dbraw/zinc/71/92/68/949719268.db2.gz	HABRKSFZWWKBGU-RHSMWYFYSA-N	1	0	360.458	1.689	20	30		FDEDRO
N#Cc1cccc(C[NH2+]C2CC(CNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)c1	ZINC001091160512	949875149	/nfs/dbraw/zinc/87/51/49/949875149.db2.gz	ZDNMIEOEFRCFPY-KPZODNFCSA-N	1	0	369.465	1.594	20	30		FDEDRO
C#Cc1ccc(C[NH+]2CCC3(CC2)COCCN(S(C)(=O)=O)C3)cc1	ZINC001144572360	949954183	/nfs/dbraw/zinc/95/41/83/949954183.db2.gz	XMJGXVQEDBYQDD-UHFFFAOYSA-N	1	0	362.495	1.542	20	30		FDEDRO
C=CCOC[C@H](NC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1)C(=O)OC	ZINC000857199077	971646326	/nfs/dbraw/zinc/64/63/26/971646326.db2.gz	AIDUYQBBKHTBGE-MSOLQXFVSA-N	1	0	360.454	1.970	20	30		FDEDRO
C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F	ZINC001574984572	950278183	/nfs/dbraw/zinc/27/81/83/950278183.db2.gz	ZDFXLBZSIJAEHP-JTQLQIEISA-N	1	0	368.376	1.114	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(CCC[NH2+]C[C@H](O)CC(C)(C)C#N)CC1	ZINC000857232910	971663011	/nfs/dbraw/zinc/66/30/11/971663011.db2.gz	PWLOPDFAJAETSP-MRXNPFEDSA-N	1	0	368.522	1.820	20	30		FDEDRO
C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1ccc(C#N)s1	ZINC001574994855	950497844	/nfs/dbraw/zinc/49/78/44/950497844.db2.gz	APONJWCDEIFNKN-VIFPVBQESA-N	1	0	356.415	1.036	20	30		FDEDRO
CNC(=O)CN1C(=O)CC[C@]12CCC[N@@H+]([C@@H](C)Cc1cccc(C#N)c1)C2	ZINC001171213319	950546300	/nfs/dbraw/zinc/54/63/00/950546300.db2.gz	YQRWNCJHDVZOST-KKSFZXQISA-N	1	0	368.481	1.692	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CNC(C)=O)s2)C1	ZINC001196429992	971693714	/nfs/dbraw/zinc/69/37/14/971693714.db2.gz	VRSDHEDRYJMQDK-APHBMKBZSA-N	1	0	365.499	1.514	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1	ZINC000846329381	950868579	/nfs/dbraw/zinc/86/85/79/950868579.db2.gz	GXNFLKVGHZCIKM-OTWHNJEPSA-N	1	0	369.465	1.029	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1	ZINC000846317950	950913415	/nfs/dbraw/zinc/91/34/15/950913415.db2.gz	CCLLSFWLPFOFTJ-DJJJIMSYSA-N	1	0	359.401	1.364	20	30		FDEDRO
Cc1ccc(C#N)c(N2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)n1	ZINC001091215895	950992332	/nfs/dbraw/zinc/99/23/32/950992332.db2.gz	SDAPQCQLURSSJP-WMZOPIPTSA-N	1	0	371.485	1.267	20	30		FDEDRO
C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1ccc(C#N)s1	ZINC001575020321	951056552	/nfs/dbraw/zinc/05/65/52/951056552.db2.gz	YTAGIXKEMPUAJF-VIFPVBQESA-N	1	0	356.415	1.036	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N2CC[C@H]3CCN(c4ccc(C#N)nn4)[C@H]3C2)CC1	ZINC001091226532	951100433	/nfs/dbraw/zinc/10/04/33/951100433.db2.gz	QHDPWKXADFQKKD-HOCLYGCPSA-N	1	0	354.458	1.117	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N2CC[C@H]3CCN(c4ncccc4C#N)[C@H]3C2)CC1	ZINC001091226514	951100473	/nfs/dbraw/zinc/10/04/73/951100473.db2.gz	QDFJRGKEUINLHB-RDJZCZTQSA-N	1	0	353.470	1.722	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(CCC)C2)C1	ZINC001196461109	971717354	/nfs/dbraw/zinc/71/73/54/971717354.db2.gz	OKJWWHROWAPLNL-BRWVUGGUSA-N	1	0	353.507	1.377	20	30		FDEDRO
COc1ccc(C[NH2+]C2CC(CNC(=O)[C@H]3OCC[C@H]3C)C2)cc1C#N	ZINC001091238642	951126642	/nfs/dbraw/zinc/12/66/42/951126642.db2.gz	CZZQEXLVAFPCSH-HGZNSMBASA-N	1	0	357.454	1.976	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@]34C[C@H]3COC4)c2)C1	ZINC001091400626	951572281	/nfs/dbraw/zinc/57/22/81/951572281.db2.gz	MGBQVQHEAJQVDY-CVAIRZPRSA-N	1	0	357.454	1.764	20	30		FDEDRO
C#C[C@H]1CCC[N@@H+](CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)C1	ZINC000847021715	951774567	/nfs/dbraw/zinc/77/45/67/951774567.db2.gz	BBMJBNOTHZJCKD-SFHVURJKSA-N	1	0	359.514	1.973	20	30		FDEDRO
C#C[C@@H]1CCC[N@@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1	ZINC000847027410	951779477	/nfs/dbraw/zinc/77/94/77/951779477.db2.gz	AXHCHBCYGTXCJB-GOSISDBHSA-N	1	0	367.493	1.611	20	30		FDEDRO
C[C@]12CN(C(=O)C3=COCCO3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1F)C2	ZINC001091457153	951816668	/nfs/dbraw/zinc/81/66/68/951816668.db2.gz	RNKKATSJYBBPHT-UZLBHIALSA-N	1	0	371.412	1.866	20	30		FDEDRO
C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)c1c[nH]c(C#N)c1	ZINC001575101669	951861655	/nfs/dbraw/zinc/86/16/55/951861655.db2.gz	IEVDIYHWJDWCCJ-SNVBAGLBSA-N	1	0	370.442	1.378	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ncoc4C)C[C@]3(C)C2)C1=O	ZINC001091524156	951933274	/nfs/dbraw/zinc/93/32/74/951933274.db2.gz	LOYPXZSQXZZBKL-CLCXKQKWSA-N	1	0	358.442	1.164	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2C[N@H+](Cc3cc(=O)[nH]c(C4CC4)n3)C[C@@]2(C)C1	ZINC001091545278	951984602	/nfs/dbraw/zinc/98/46/02/951984602.db2.gz	NTWXPYXIGAREBS-CFZJUORYSA-N	1	0	355.442	1.500	20	30		FDEDRO
C[C@]12CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]1C[N@H+](C[C@@H]1CCc3ncnn31)C2	ZINC001091574356	952110969	/nfs/dbraw/zinc/11/09/69/952110969.db2.gz	FQNIJWPQUGSJJF-VCBZYWHSSA-N	1	0	365.441	1.059	20	30		FDEDRO
COc1nccc(C[N@@H+]2C[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@]3(C)C2)n1	ZINC001091574555	952111624	/nfs/dbraw/zinc/11/16/24/952111624.db2.gz	KCAOTDHDFLHPIL-KUHUBIRLSA-N	1	0	366.425	1.279	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[C@@H](Nc2ccc(C#N)cn2)C1	ZINC001091578455	952135039	/nfs/dbraw/zinc/13/50/39/952135039.db2.gz	DSKXSZCBHSYJBE-SOLBZPMBSA-N	1	0	371.485	1.618	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001571085085	952194513	/nfs/dbraw/zinc/19/45/13/952194513.db2.gz	OCGJRJDMSZKIPW-QWHCGFSZSA-N	1	0	371.420	1.494	20	30		FDEDRO
COc1ncccc1C[N@@H+]1C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@]2(C)C1	ZINC001091607728	952258363	/nfs/dbraw/zinc/25/83/63/952258363.db2.gz	FMJVYLVTOFHZOC-UZLBHIALSA-N	1	0	365.437	1.884	20	30		FDEDRO
N#Cc1ccc(N[C@@H]2CC[C@H](CNC(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)nn1	ZINC001091620646	952336130	/nfs/dbraw/zinc/33/61/30/952336130.db2.gz	BGCAWMZDJJHUGO-ZSZQSSIHSA-N	1	0	368.485	1.919	20	30		FDEDRO
CCc1nc(C#N)cc(N[C@@H]2CC[C@H](CNC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)n1	ZINC001091636767	952416755	/nfs/dbraw/zinc/41/67/55/952416755.db2.gz	CQOMHIVNZIUIRE-OWCLPIDISA-N	1	0	370.501	1.949	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3CC(C)(C)C)C2)C1	ZINC001147589856	952448008	/nfs/dbraw/zinc/44/80/08/952448008.db2.gz	FBQWVHBPJNPQKM-IXDOHACOSA-N	1	0	359.514	1.731	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[C@@H](Nc2ccc(C#N)nn2)C1	ZINC001091646896	952485689	/nfs/dbraw/zinc/48/56/89/952485689.db2.gz	ZWWALSAZMLJUHJ-ZMSDIMECSA-N	1	0	356.474	1.919	20	30		FDEDRO
CN(C)c1cc(C[N@@H+]2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]3(C)C2)ccn1	ZINC001091659517	952519589	/nfs/dbraw/zinc/51/95/89/952519589.db2.gz	MGLDOSCPCQSZEL-NQIIRXRSSA-N	1	0	352.482	1.841	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)C4(C(F)F)CC4)C[C@]3(C)C2)C1=O	ZINC001091668857	952559750	/nfs/dbraw/zinc/55/97/50/952559750.db2.gz	SLNNYHMYFSDLTG-LBTNJELSSA-N	1	0	367.440	1.599	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cn([C@H]4CCOC4)nc3C)C[C@]2(C)C1	ZINC001091672092	952595483	/nfs/dbraw/zinc/59/54/83/952595483.db2.gz	GRZJROUFEQOZFV-UWVAXJGDSA-N	1	0	356.470	1.570	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](CNc2cncc(C#N)n2)C1	ZINC001091691136	952643830	/nfs/dbraw/zinc/64/38/30/952643830.db2.gz	UBPRPSAHGPQIPK-ZBFHGGJFSA-N	1	0	356.474	1.729	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@]2(C)C1	ZINC001091738698	952767522	/nfs/dbraw/zinc/76/75/22/952767522.db2.gz	CWXIYDNLWKUJTC-GUXCAODWSA-N	1	0	356.470	1.347	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCO[C@H]3c3nccn3C)C[C@]2(C)C1	ZINC001091751936	952802154	/nfs/dbraw/zinc/80/21/54/952802154.db2.gz	POHCBLIIIFGFHU-IKVWTGGYSA-N	1	0	370.497	1.691	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H](C)c3nnc(C)[nH]3)C2)cn1	ZINC001086857452	952875218	/nfs/dbraw/zinc/87/52/18/952875218.db2.gz	DWCBQGOZDQZCTC-RVSPLBMKSA-N	1	0	352.442	1.739	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@H]3CCNC(=O)CC3)C2)cn1	ZINC001086857825	952877140	/nfs/dbraw/zinc/87/71/40/952877140.db2.gz	ZDASVEROOZAFDV-JTDSTZFVSA-N	1	0	368.481	1.467	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCCC3=O)C2)cn1	ZINC001086856088	952902130	/nfs/dbraw/zinc/90/21/30/952902130.db2.gz	IOQWCUBQTHBQNL-MAUKXSAKSA-N	1	0	354.454	1.173	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)nc1	ZINC001086856187	952902598	/nfs/dbraw/zinc/90/25/98/952902598.db2.gz	MWKZYSWKIZHQAD-DLBZAZTESA-N	1	0	354.454	1.173	20	30		FDEDRO
Cn1cccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)c1=O	ZINC001086856252	952902605	/nfs/dbraw/zinc/90/26/05/952902605.db2.gz	PPNCJKSGOGASCW-ZWKOTPCHSA-N	1	0	364.449	1.945	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ncccn2)C1	ZINC001086856551	952902848	/nfs/dbraw/zinc/90/28/48/952902848.db2.gz	GQDMYEUMUCEOPD-JKSUJKDBSA-N	1	0	365.437	1.572	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc(C)n3CC)C2)nc1	ZINC001086856386	952902853	/nfs/dbraw/zinc/90/28/53/952902853.db2.gz	XCHDVCXABMOSGY-DLBZAZTESA-N	1	0	366.469	1.671	20	30		FDEDRO
Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2c2cnn(C)c2)s1	ZINC001086971315	952973860	/nfs/dbraw/zinc/97/38/60/952973860.db2.gz	IUBWCRPSHJTOMD-TUKIKUTGSA-N	1	0	358.471	1.429	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nc(C(C)C)oc2C)C[C@H]1c1cnn(C)c1	ZINC001086978542	952990583	/nfs/dbraw/zinc/99/05/83/952990583.db2.gz	BWUBSABPEWMEJR-JKSUJKDBSA-N	1	0	355.442	1.671	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2OCC[C@H]2C(C)C)C[C@H]1c1cnn(C)c1	ZINC001086979138	952992230	/nfs/dbraw/zinc/99/22/30/952992230.db2.gz	LAEMAZBYIVXSEJ-OKYOBFRVSA-N	1	0	360.502	1.941	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3cccnc3n2)C[C@H]1c1cnn(C)c1	ZINC001086979466	952993210	/nfs/dbraw/zinc/99/32/10/952993210.db2.gz	AQGSCBRWWGBNND-FUHWJXTLSA-N	1	0	360.421	1.194	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccc3nc[nH]c3n2)C[C@H]1c1cnn(C)c1	ZINC001086983934	952998087	/nfs/dbraw/zinc/99/80/87/952998087.db2.gz	PQNKLQWHFQLMAE-WMLDXEAASA-N	1	0	365.441	1.465	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2nc(C)cc2C)C[C@H]1c1cnn(C)c1	ZINC001086986989	953008691	/nfs/dbraw/zinc/00/86/91/953008691.db2.gz	SWLHWLSXBAGLJN-ZWKOTPCHSA-N	1	0	356.474	1.394	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(CC)[nH]c(=O)c2)C[C@H]1c1cnn(C)c1	ZINC001086987779	953010968	/nfs/dbraw/zinc/01/09/68/953010968.db2.gz	MOWYCYXBJQUCKO-DLBZAZTESA-N	1	0	355.442	1.467	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c(C)noc2C2CC2)C[C@H]1c1cnn(C)c1	ZINC001086988435	953011955	/nfs/dbraw/zinc/01/19/55/953011955.db2.gz	WPSGXAHJHYMGEZ-JKSUJKDBSA-N	1	0	355.442	1.978	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c(C)ccnc2OCC)C[C@H]1c1cnn(C)c1	ZINC001086989243	953013707	/nfs/dbraw/zinc/01/37/07/953013707.db2.gz	QTCLHQLLUVEBKX-DLBZAZTESA-N	1	0	369.469	1.906	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCn2cncn2)C1	ZINC001086990858	953019013	/nfs/dbraw/zinc/01/90/13/953019013.db2.gz	YLPMEEPTLPBVGW-DLBZAZTESA-N	1	0	371.489	1.198	20	30		FDEDRO
C=CCOC(=O)N[C@@H]1CCCN(C(=S)NCCC[NH+](CC)CC)C1	ZINC001196686100	971889566	/nfs/dbraw/zinc/88/95/66/971889566.db2.gz	DENOWCUBLPURDQ-OAHLLOKOSA-N	1	0	356.536	1.969	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn3cc(C)nc3s2)C[C@H]1c1cnn(C)c1	ZINC001086982043	953034551	/nfs/dbraw/zinc/03/45/51/953034551.db2.gz	QSHHYAKFRRSBOI-LSDHHAIUSA-N	1	0	370.482	1.822	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CC/C=C\CCC)C[C@H]1O	ZINC001196691308	971890952	/nfs/dbraw/zinc/89/09/52/971890952.db2.gz	CAXJUJDQXOIRHU-PUSMVSPTSA-N	1	0	351.491	1.365	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](NCC#N)C1)[NH+]1CCCCCC1	ZINC001087000825	953052321	/nfs/dbraw/zinc/05/23/21/953052321.db2.gz	PTGATJGDWZFWHD-RYQLBKOJSA-N	1	0	358.490	1.092	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2nc(C3CC3)oc2C)C[C@H]1c1cnn(C)c1	ZINC001087004273	953061871	/nfs/dbraw/zinc/06/18/71/953061871.db2.gz	OXAGHPGYSYRLJR-JKSUJKDBSA-N	1	0	355.442	1.978	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3ccncc3c2)C[C@H]1c1cnn(C)c1	ZINC001087004499	953062353	/nfs/dbraw/zinc/06/23/53/953062353.db2.gz	BSTRUHCANPBCMC-VQTJNVASSA-N	1	0	359.433	1.799	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cccn2)C[C@H]1c1cnn(C)c1	ZINC001087004843	953063192	/nfs/dbraw/zinc/06/31/92/953063192.db2.gz	YRUDIJCNNTYYOM-RYQLBKOJSA-N	1	0	356.474	1.728	20	30		FDEDRO
C[N@H+](C1CN(C(=O)c2cc(-c3cccc(C#N)c3)on2)C1)[C@H]1CCOC1	ZINC001196767732	971896098	/nfs/dbraw/zinc/89/60/98/971896098.db2.gz	JDYVZQSHORTXFQ-HNNXBMFYSA-N	1	0	352.394	1.758	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cn2cc3ccccc3n2)C[C@H]1c1cnn(C)c1	ZINC001087006113	953089653	/nfs/dbraw/zinc/08/96/53/953089653.db2.gz	IWOZXZMFECZJOT-PKOBYXMFSA-N	1	0	364.453	1.540	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnn3ccc(C)nc23)C[C@H]1c1cnn(C)c1	ZINC001087006298	953089921	/nfs/dbraw/zinc/08/99/21/953089921.db2.gz	UFBARTQTVZLYAY-DLBZAZTESA-N	1	0	365.441	1.155	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(Cl)cc2)C[C@H]1c1cnn(C)c1	ZINC001087008274	953095378	/nfs/dbraw/zinc/09/53/78/953095378.db2.gz	XADHCCBTOPDDAB-ZWKOTPCHSA-N	1	0	356.857	1.833	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)COc2ccccc2F)C[C@H]1c1cnn(C)c1	ZINC001087009279	953098012	/nfs/dbraw/zinc/09/80/12/953098012.db2.gz	ZJHHMNGBDUOTRA-DOTOQJQBSA-N	1	0	358.417	1.708	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)n2nc(C)cc2C)C[C@H]1c1cnn(C)c1	ZINC001087011726	953104493	/nfs/dbraw/zinc/10/44/93/953104493.db2.gz	LZMYVFDFVJZMKT-BPQIPLTHSA-N	1	0	354.458	1.012	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2ccc(F)cc2)C[C@H]1c1cnn(C)c1	ZINC001087011542	953104538	/nfs/dbraw/zinc/10/45/38/953104538.db2.gz	BOWSKWJMJVMRBM-UIAACRFSSA-N	1	0	368.456	1.955	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)n2nc(C)cc2C)C[C@H]1c1cnn(C)c1	ZINC001087011916	953105696	/nfs/dbraw/zinc/10/56/96/953105696.db2.gz	XCQJJEIQJFHHLX-RYQLBKOJSA-N	1	0	356.474	1.565	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C2(c3ccccc3C)CC2)C[C@H]1c1cnn(C)c1	ZINC001087012385	953107212	/nfs/dbraw/zinc/10/72/12/953107212.db2.gz	UWYDOGXISPOUDN-AZUAARDMSA-N	1	0	362.477	1.978	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cnns2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087029751	953121597	/nfs/dbraw/zinc/12/15/97/953121597.db2.gz	HFQXFMSITMFILG-HZPDHXFCSA-N	1	0	371.466	1.677	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1ccc2c(c1)COC2	ZINC001087035513	953145306	/nfs/dbraw/zinc/14/53/06/953145306.db2.gz	CNTUHBNECCPGDG-NIKGAXFTSA-N	1	0	357.454	1.830	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1ncnn1CC(C)C	ZINC001087035690	953145778	/nfs/dbraw/zinc/14/57/78/953145778.db2.gz	JYPKIFQQTGVWRH-ARFHVFGLSA-N	1	0	362.478	1.047	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1cccc2c1CCOC2	ZINC001087036004	953146295	/nfs/dbraw/zinc/14/62/95/953146295.db2.gz	VCNYRPMPLBNUCC-XFQXTVEOSA-N	1	0	371.481	1.872	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1nc2c(o1)CCCC2	ZINC001087036103	953146845	/nfs/dbraw/zinc/14/68/45/953146845.db2.gz	YSQFSMXUVNZART-CKEIUWERSA-N	1	0	360.458	1.666	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1ncccc1C	ZINC001087045281	953169922	/nfs/dbraw/zinc/16/99/22/953169922.db2.gz	BKTVJVIIOSUOGH-VQIMIIECSA-N	1	0	367.453	1.857	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1nc2c(o1)CCCC2	ZINC001087052755	953184017	/nfs/dbraw/zinc/18/40/17/953184017.db2.gz	KGLIVTDTMNKMRL-VQIMIIECSA-N	1	0	371.481	1.920	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+][C@@H](C)c1cnccn1	ZINC001087046981	953195527	/nfs/dbraw/zinc/19/55/27/953195527.db2.gz	LMELKBODFLDUER-JCKWVBRZSA-N	1	0	368.441	1.504	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2cn(CC)nn2)[C@H](OCC)C1	ZINC001087072015	953226323	/nfs/dbraw/zinc/22/63/23/953226323.db2.gz	OAGWIRARMVRHIT-NVXWUHKLSA-N	1	0	363.506	1.853	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cc(C)ncn2)[C@H](OCC)C1	ZINC001087085472	953246872	/nfs/dbraw/zinc/24/68/72/953246872.db2.gz	GZFPEIWMIRCYHO-OQIJWPOYSA-N	1	0	374.485	1.329	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3cccnc3)[C@H](OCC)C2)nn1	ZINC001087089806	953253302	/nfs/dbraw/zinc/25/33/02/953253302.db2.gz	FICNXSHLCDIYHB-SJLPKXTDSA-N	1	0	370.457	1.126	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087093618	953259607	/nfs/dbraw/zinc/25/96/07/953259607.db2.gz	UKMSOKDROLAGCJ-IEBWSBKVSA-N	1	0	365.437	1.615	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](C[NH2+]Cc2nonc2C)[C@H](OCC)C1	ZINC001087080074	953265378	/nfs/dbraw/zinc/26/53/78/953265378.db2.gz	SVOWEXNCQNGHAM-KYJSFNMBSA-N	1	0	350.463	1.933	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3coc(C)n3)[C@H](OCC)C2)cn1	ZINC001087097209	953283933	/nfs/dbraw/zinc/28/39/33/953283933.db2.gz	BKZMCLJBHQUJNQ-VQIMIIECSA-N	1	0	368.437	1.626	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nonc3C)[C@H](OCC)C2)cn1	ZINC001087097269	953284471	/nfs/dbraw/zinc/28/44/71/953284471.db2.gz	GBAITMFGEUFJAG-CRAIPNDOSA-N	1	0	369.425	1.021	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3conc3C)[C@H](OCC)C2)nc1	ZINC001087097310	953284525	/nfs/dbraw/zinc/28/45/25/953284525.db2.gz	IIILHDBJZWDPHA-VQIMIIECSA-N	1	0	368.437	1.626	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ncccn3)[C@H](OCC)C2)nc1	ZINC001087097331	953284548	/nfs/dbraw/zinc/28/45/48/953284548.db2.gz	KCZWAQGWDYSYBL-SJLPKXTDSA-N	1	0	365.437	1.120	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CCN1c1ccnc(C#N)n1	ZINC001091785709	953303936	/nfs/dbraw/zinc/30/39/36/953303936.db2.gz	AHZAFFJCGANUFC-JKSUJKDBSA-N	1	0	356.474	1.698	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C[C@]2(C)C1	ZINC001091786240	953304498	/nfs/dbraw/zinc/30/44/98/953304498.db2.gz	XCTUXSAHORTJAR-NYTXWWLZSA-N	1	0	362.392	1.689	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3c(C)nc4ccnn4c3C)C[C@]2(C)C1	ZINC001091804276	953333494	/nfs/dbraw/zinc/33/34/94/953333494.db2.gz	XWEZVCJAPJLVMT-UZLBHIALSA-N	1	0	351.454	1.763	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)CCN1c1cnc(C#N)cn1	ZINC001091806255	953336212	/nfs/dbraw/zinc/33/62/12/953336212.db2.gz	IKFUDUDQMFCEDP-HRCADAONSA-N	1	0	362.453	1.502	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CCN1c1ccc(C#N)nn1	ZINC001091831374	953372039	/nfs/dbraw/zinc/37/20/39/953372039.db2.gz	AMSBSVCNIVXSGO-YESZJQIVSA-N	1	0	356.474	1.696	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3sccc3-n3cnnn3)C[C@]2(C)C1	ZINC001091815379	953464657	/nfs/dbraw/zinc/46/46/57/953464657.db2.gz	DMYDHQFLWQRJEF-DYVFJYSZSA-N	1	0	356.455	1.141	20	30		FDEDRO
CC[C@@H](C(=O)N[C@H]1CCN(c2nccnc2C#N)[C@@H]1CC)[NH+](CC)CC	ZINC001091826237	953500763	/nfs/dbraw/zinc/50/07/63/953500763.db2.gz	NGOUNYGSRBDBCX-UAGQMJEPSA-N	1	0	358.490	1.942	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3COCCN3CC(F)F)C[C@]2(C)C1	ZINC001091883735	953521321	/nfs/dbraw/zinc/52/13/21/953521321.db2.gz	UMJBCUQASGBXMA-GJYPPUQNSA-N	1	0	371.472	1.699	20	30		FDEDRO
CC(C)[N@H+](C)CC(=O)N1C[C@H]2CCN(c3ncc(C#N)cc3F)C[C@H]2C1	ZINC001091855286	953553344	/nfs/dbraw/zinc/55/33/44/953553344.db2.gz	UQAGBXSCFPAGFZ-CVEARBPZSA-N	1	0	359.449	1.717	20	30		FDEDRO
CC[C@@H](C(=O)N1C[C@H]2CCN(c3nccnc3C#N)C[C@H]2C1)[NH+](CC)CC	ZINC001091870380	953625947	/nfs/dbraw/zinc/62/59/47/953625947.db2.gz	PBEZOJZEHSRRNO-RYRKJORJSA-N	1	0	370.501	1.753	20	30		FDEDRO
Cc1n[nH]nc1C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@]2(C)C1	ZINC001091906386	953678984	/nfs/dbraw/zinc/67/89/84/953678984.db2.gz	OQOVIPURNRYDPL-BEFAXECRSA-N	1	0	368.416	1.718	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@@]3(C)C2)cc1	ZINC001091907440	953685275	/nfs/dbraw/zinc/68/52/75/953685275.db2.gz	WXEGRKRHNBKHOU-LQWHRVPQSA-N	1	0	351.450	1.340	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+]([C@@H]4CCN(C)C4=O)C[C@@]3(C)C2)cc1	ZINC001091907400	953685667	/nfs/dbraw/zinc/68/56/67/953685667.db2.gz	VMZFUGDVHRKUER-OPYAIIAOSA-N	1	0	351.450	1.293	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1	ZINC001091909936	953693855	/nfs/dbraw/zinc/69/38/55/953693855.db2.gz	FHRJAETVOOHGAV-MDZRGWNJSA-N	1	0	368.543	1.804	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@H]2C[N@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@@]2(C)C1	ZINC001091917074	953708443	/nfs/dbraw/zinc/70/84/43/953708443.db2.gz	RZLLAQOZYPMLTJ-MDZRGWNJSA-N	1	0	368.543	1.804	20	30		FDEDRO
CN1CC[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@@]3(C)C2)C1=O	ZINC001091930622	953724427	/nfs/dbraw/zinc/72/44/27/953724427.db2.gz	MGGLXOMHQHEWBA-LQWHRVPQSA-N	1	0	366.465	1.317	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC(=O)Nc4ccccc43)C[C@]2(C)C1	ZINC001091898902	953739938	/nfs/dbraw/zinc/73/99/38/953739938.db2.gz	XXRAHEIKPTWODD-CEQIKUNHSA-N	1	0	351.450	1.916	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3C[N@H+](CCN4C(=O)CCC4=O)C[C@@]3(C)C2)C1	ZINC001091994028	953908128	/nfs/dbraw/zinc/90/81/28/953908128.db2.gz	GMRFCLOZNSKILG-QRWLVFNGSA-N	1	0	359.470	1.272	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)C2CCC2)C1	ZINC001196866901	971968054	/nfs/dbraw/zinc/96/80/54/971968054.db2.gz	FEVUAFFNWGBDJH-IAGOWNOFSA-N	1	0	353.507	1.425	20	30		FDEDRO
CC[NH+](CC)[C@H](C(=O)N[C@H]1CCN(c2nccnc2C#N)[C@@H]1C)C(C)C	ZINC001091998577	953920560	/nfs/dbraw/zinc/92/05/60/953920560.db2.gz	VGSAOKQMAIEUFM-VYDXJSESSA-N	1	0	358.490	1.798	20	30		FDEDRO
Cc1nc(N2CC[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)[C@H]2C)ccc1C#N	ZINC001091973076	953960575	/nfs/dbraw/zinc/96/05/75/953960575.db2.gz	VBWPGXWLEKAWMZ-LESCRADOSA-N	1	0	371.485	1.313	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@H]3C[N@@H+]([C@H](C)C(=O)NC)C[C@@]3(C)C2)cc1	ZINC001092077480	954222042	/nfs/dbraw/zinc/22/20/42/954222042.db2.gz	AEAXOUHLMMALFZ-CEQIKUNHSA-N	1	0	369.465	1.227	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3C[N@@H+](Cc4cccnc4C)C[C@@]3(C)C2)nn1	ZINC001092082391	954229196	/nfs/dbraw/zinc/22/91/96/954229196.db2.gz	XDIFNEDPBAHGQA-XLIONFOSSA-N	1	0	366.469	1.762	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@H]3C[N@@H+](Cc4cc(C)no4)C[C@@]3(C)C2)nn1	ZINC001092085707	954237987	/nfs/dbraw/zinc/23/79/87/954237987.db2.gz	WUYFJLBULMEJEZ-BEFAXECRSA-N	1	0	370.457	1.745	20	30		FDEDRO
C[C@]12CN(C(=O)c3nc[nH]n3)C[C@H]1C[N@H+](Cc1ccc(C#N)c(F)c1)C2	ZINC001092109069	954337105	/nfs/dbraw/zinc/33/71/05/954337105.db2.gz	DOHOZDZGRBZXPP-KDOFPFPSSA-N	1	0	354.389	1.410	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4nccs4)C[C@]3(C)C2)C1=O	ZINC001092128083	954374398	/nfs/dbraw/zinc/37/43/98/954374398.db2.gz	XRGGSHYCFOXBNE-GLJUWKHASA-N	1	0	360.483	1.324	20	30		FDEDRO
Cc1nonc1CC(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@]2(C)C1	ZINC001092155567	954409383	/nfs/dbraw/zinc/40/93/83/954409383.db2.gz	ULLYXFLXXNWZOF-ACJLOTCBSA-N	1	0	371.466	1.834	20	30		FDEDRO
Cn1cncc1CC(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@]2(C)C1	ZINC001092200983	954523957	/nfs/dbraw/zinc/52/39/57/954523957.db2.gz	SRPRFTRXRXTZDS-NQIIRXRSSA-N	1	0	363.465	1.815	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1F)C2	ZINC001092214618	954541876	/nfs/dbraw/zinc/54/18/76/954541876.db2.gz	CPZOLMOFPZCREP-SYNHAJSKSA-N	1	0	370.428	1.256	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc4c(c3)nc[nH]c4=O)C[C@]2(C)C1	ZINC001092278455	954681390	/nfs/dbraw/zinc/68/13/90/954681390.db2.gz	QEERQOXVOISNDZ-QRWLVFNGSA-N	1	0	350.422	1.753	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(-n4cnnn4)cc3)C[C@]2(C)C1	ZINC001092256935	954719494	/nfs/dbraw/zinc/71/94/94/954719494.db2.gz	AZZGICPVVVVTJE-APWZRJJASA-N	1	0	350.426	1.080	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1C[C@H]2CN(c3cc(C#N)nc(CC)n3)C[C@@]2(C)C1	ZINC001092297603	954734331	/nfs/dbraw/zinc/73/43/31/954734331.db2.gz	PDVQNTIHAWWOOP-QRWLVFNGSA-N	1	0	370.501	1.537	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@]3(C)C2)n1	ZINC001092305576	954769838	/nfs/dbraw/zinc/76/98/38/954769838.db2.gz	XAHYVGCKMUVPJA-HNAYVOBHSA-N	1	0	356.474	1.283	20	30		FDEDRO
Cc1nonc1C(=O)N1C[C@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@]2(C)C1	ZINC001092320563	954834675	/nfs/dbraw/zinc/83/46/75/954834675.db2.gz	QPKLRYRBYMEHHL-BEFAXECRSA-N	1	0	369.400	1.983	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)COc3ccc(C(N)=O)cc3)C[C@]2(C)C1	ZINC001092286087	954863916	/nfs/dbraw/zinc/86/39/16/954863916.db2.gz	KLQMPBYWHFAITJ-UZLBHIALSA-N	1	0	357.454	1.521	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)c1cnn(C)c1	ZINC001092454348	955161576	/nfs/dbraw/zinc/16/15/76/955161576.db2.gz	GFHYIUADPHMDOS-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
Cc1nsc(N2C[C@@H](C)[C@H](CCNC(=O)C[NH+]3CCCC3)C2)c1C#N	ZINC001092519106	955305988	/nfs/dbraw/zinc/30/59/88/955305988.db2.gz	IPDYNKTXXAHKAW-UKRRQHHQSA-N	1	0	361.515	1.998	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@@H](C)[C@H](CCNC(=O)C[NH+]3CCCC3)C2)n1	ZINC001092519221	955306399	/nfs/dbraw/zinc/30/63/99/955306399.db2.gz	NOXMEKOYFQXSGO-CRAIPNDOSA-N	1	0	355.486	1.936	20	30		FDEDRO
CC(C)N1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)C1=O	ZINC001092527868	955336950	/nfs/dbraw/zinc/33/69/50/955336950.db2.gz	SAONKKYWQOOXHC-UNEWFSDZSA-N	1	0	357.458	1.193	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CCNC(=O)CC1CC[NH+](C)CC1	ZINC001092547555	955385173	/nfs/dbraw/zinc/38/51/73/955385173.db2.gz	AHLVYDMFAACVIC-NVXWUHKLSA-N	1	0	370.501	1.659	20	30		FDEDRO
COc1nccc(C[N@H+]2C[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)n1	ZINC001092552415	955410218	/nfs/dbraw/zinc/41/02/18/955410218.db2.gz	XTJYQKYMKVCATJ-TZMCWYRMSA-N	1	0	354.414	1.183	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CCNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001092531684	955492688	/nfs/dbraw/zinc/49/26/88/955492688.db2.gz	OLUXODBGTLGYNE-OWCLPIDISA-N	1	0	356.474	1.269	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)NCC[C@@H]1CN(c2nccnc2C#N)C[C@H]1C	ZINC001092533389	955502754	/nfs/dbraw/zinc/50/27/54/955502754.db2.gz	ORUYIKASZLAIDR-HZPDHXFCSA-N	1	0	358.490	1.659	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C	ZINC001092595467	955589744	/nfs/dbraw/zinc/58/97/44/955589744.db2.gz	RGRXDZPKXMWRMH-JFIYKMOQSA-N	1	0	370.501	1.801	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C	ZINC001092595636	955590665	/nfs/dbraw/zinc/59/06/65/955590665.db2.gz	XGIWAUOSYMASOM-BRWVUGGUSA-N	1	0	370.501	1.801	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H](CNC(=O)c3ncc[nH]3)[C@H](C)C2)cc1C#N	ZINC001092597936	955602029	/nfs/dbraw/zinc/60/20/29/955602029.db2.gz	TXYFXNIFBNQHFI-CZUORRHYSA-N	1	0	353.426	1.788	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)c3ccoc3CC)[C@H](C)C2)C1=O	ZINC001092578925	955709735	/nfs/dbraw/zinc/70/97/35/955709735.db2.gz	OMGKLYOWFSOECN-BFYDXBDKSA-N	1	0	359.470	1.927	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)c1cnnn1C	ZINC001092582407	955722955	/nfs/dbraw/zinc/72/29/55/955722955.db2.gz	LDXJCRXNUNHLNZ-IUODEOHRSA-N	1	0	356.405	1.324	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1CNc1ccncc1C#N	ZINC001092652848	955843292	/nfs/dbraw/zinc/84/32/92/955843292.db2.gz	CIQDIPWJJIOYTL-SJLPKXTDSA-N	1	0	355.486	1.758	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CNc1ncc(C#N)cc1F	ZINC001092670698	955968322	/nfs/dbraw/zinc/96/83/22/955968322.db2.gz	LHRNVCJOUDVVSW-UKRRQHHQSA-N	1	0	359.449	1.941	20	30		FDEDRO
CCc1nc(C#N)cc(NC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C)n1	ZINC001092670758	955969410	/nfs/dbraw/zinc/96/94/10/955969410.db2.gz	NPFDSKZLBXUTNY-HUUCEWRRSA-N	1	0	370.501	1.759	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2cc3c(cn2)OCCO3)[C@H](C)C1	ZINC001092684399	956025309	/nfs/dbraw/zinc/02/53/09/956025309.db2.gz	DOWBZPCEFAHIRL-DGCLKSJQSA-N	1	0	351.834	1.903	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCc2cnn(CC)c2)C[C@H]1C	ZINC001092688806	956193069	/nfs/dbraw/zinc/19/30/69/956193069.db2.gz	ATMPKHPPIAFKHB-RLLQIKCJSA-N	1	0	371.529	1.227	20	30		FDEDRO
COc1cnc(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)nc1	ZINC001092810382	956386675	/nfs/dbraw/zinc/38/66/75/956386675.db2.gz	QDXXMJDVIZDKQV-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@]2(C)CN(c3ccncc3C#N)CCO2)CC[N@@H+]1C	ZINC001092778869	956423889	/nfs/dbraw/zinc/42/38/89/956423889.db2.gz	KHPWQMJSBSXXAO-SQGPQFPESA-N	1	0	371.485	1.395	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1)[NH+]1CCCC1	ZINC001092850775	956461284	/nfs/dbraw/zinc/46/12/84/956461284.db2.gz	ZGVVJZMVBGUOEW-PASDCYSWSA-N	1	0	368.485	1.695	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccncc1C#N	ZINC001092837270	956581602	/nfs/dbraw/zinc/58/16/02/956581602.db2.gz	KWPOQVQOXNSDKY-RUENVJTFSA-N	1	0	369.469	1.147	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CCNC(=O)CC1	ZINC001092855530	956700063	/nfs/dbraw/zinc/70/00/63/956700063.db2.gz	NSGBFIAQWHFACW-MISYRCLQSA-N	1	0	367.493	1.639	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@@H]1CCNC(=O)CC1	ZINC001092856186	956703676	/nfs/dbraw/zinc/70/36/76/956703676.db2.gz	XVGIUQBVPJADRS-AYOQOUSVSA-N	1	0	368.481	1.659	20	30		FDEDRO
C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1)CC(C)(C)C	ZINC001092920382	956787292	/nfs/dbraw/zinc/78/72/92/956787292.db2.gz	CKVPXFZEQVSLIL-PMPSAXMXSA-N	1	0	356.474	1.552	20	30		FDEDRO
CCc1nc(C#N)cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[N@H+](C)C2CCC2)C3)n1	ZINC001092925115	956926808	/nfs/dbraw/zinc/92/68/08/956926808.db2.gz	RKCOHRMTNYXOSG-IKGGRYGDSA-N	1	0	368.485	1.621	20	30		FDEDRO
C=C(Br)CN1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1	ZINC001092931754	956946628	/nfs/dbraw/zinc/94/66/28/956946628.db2.gz	ZSFYNWBCMGKWSE-IUODEOHRSA-N	1	0	358.324	1.921	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cnc(OC)nc2C)C[C@H]1C	ZINC001092977866	956976360	/nfs/dbraw/zinc/97/63/60/956976360.db2.gz	MXWBINXHPZUCSL-UWIFEVILSA-N	1	0	374.485	1.569	20	30		FDEDRO
CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1)C(C)C	ZINC001092999369	957099465	/nfs/dbraw/zinc/09/94/65/957099465.db2.gz	LPMNOUJSLOKGAB-VXNCWWDNSA-N	1	0	370.501	1.941	20	30		FDEDRO
Cc1cc(C#N)nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C3)n1	ZINC001093023650	957161032	/nfs/dbraw/zinc/16/10/32/957161032.db2.gz	WJAQVTKOVKZREG-NCOADZHNSA-N	1	0	354.458	1.223	20	30		FDEDRO
C[NH+](C)C1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cnc(C#N)cn2)CCCC1	ZINC001093029978	957187283	/nfs/dbraw/zinc/18/72/83/957187283.db2.gz	QCGTYNZUUYMOGW-ZACQAIPSSA-N	1	0	368.485	1.839	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(-n3ccnc3)nn2)[C@H](C)C1	ZINC001093053301	957233501	/nfs/dbraw/zinc/23/35/01/957233501.db2.gz	RUVZZMFWABTITF-TZMCWYRMSA-N	1	0	360.849	1.713	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2C)nn1	ZINC001093034717	957251393	/nfs/dbraw/zinc/25/13/93/957251393.db2.gz	BPXQHDJUCCOAFG-CRAIPNDOSA-N	1	0	364.453	1.834	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3ncccc3F)[C@H](C)C2)C1=O	ZINC001093082619	957356762	/nfs/dbraw/zinc/35/67/62/957356762.db2.gz	DKLHABTYMMQGFI-FMKPAKJESA-N	1	0	360.433	1.305	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2CN(c2cnc(C#N)cn2)C3)CC1	ZINC001093104637	957455619	/nfs/dbraw/zinc/45/56/19/957455619.db2.gz	HXSOHCSKPKJYAA-LIRRHRJNSA-N	1	0	354.458	1.165	20	30		FDEDRO
COc1ccc(C(=O)NC[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2C)nn1	ZINC001093108612	957497122	/nfs/dbraw/zinc/49/71/22/957497122.db2.gz	ZPRQWTWERPQTMJ-SJLPKXTDSA-N	1	0	364.449	1.835	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2ccc(C#N)nn2)C1	ZINC001093114057	957552479	/nfs/dbraw/zinc/55/24/79/957552479.db2.gz	KGBLSUAZOXLLAK-CHWSQXEVSA-N	1	0	370.379	1.491	20	30		FDEDRO
C[NH+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2ccc(C#N)nn2)C1	ZINC001093115728	957558689	/nfs/dbraw/zinc/55/86/89/957558689.db2.gz	PYUKWGMFKFDFEE-VXGBXAGGSA-N	1	0	356.352	1.101	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(CNc2ccnc(C#N)n2)C1	ZINC001093125075	957590712	/nfs/dbraw/zinc/59/07/12/957590712.db2.gz	ZNVVMFWAOPXHDH-KXBFYZLASA-N	1	0	356.474	1.153	20	30		FDEDRO
COC(=O)C1(C#N)CCN(C(=O)c2cc(C)n(-c3cc[nH+]cc3)n2)CC1	ZINC001197535348	972278442	/nfs/dbraw/zinc/27/84/42/972278442.db2.gz	RZIIZZYZLRYZQC-UHFFFAOYSA-N	1	0	353.382	1.495	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]2C)nc1	ZINC001093143046	957641059	/nfs/dbraw/zinc/64/10/59/957641059.db2.gz	PHCDBQYTAQZQLP-SJLPKXTDSA-N	1	0	368.481	1.373	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1CCCC(=O)N1C	ZINC001093167824	957724666	/nfs/dbraw/zinc/72/46/66/957724666.db2.gz	DYMXKZDCLIISLN-RLLQIKCJSA-N	1	0	367.493	1.733	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@H]1CCCC(=O)N1C	ZINC001093168131	957726238	/nfs/dbraw/zinc/72/62/38/957726238.db2.gz	QCNUNSGCQGRQMF-ATZDWAIDSA-N	1	0	368.481	1.753	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)c1c[nH]c(C(N)=O)c1	ZINC001093199247	957772276	/nfs/dbraw/zinc/77/22/76/957772276.db2.gz	IUZAEERMHGISMA-CXAGYDPISA-N	1	0	365.437	1.483	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cscn2)C1	ZINC001197552047	972299715	/nfs/dbraw/zinc/29/97/15/972299715.db2.gz	YYEPXUVDZKKLLI-UKRRQHHQSA-N	1	0	368.503	1.005	20	30		FDEDRO
CC(C)N1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)C1=O	ZINC001093273739	957943143	/nfs/dbraw/zinc/94/31/43/957943143.db2.gz	FTTKYLQERLDHEE-OIISXLGYSA-N	1	0	371.485	1.583	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCC(=O)NC2=O)C1	ZINC001093277364	957946822	/nfs/dbraw/zinc/94/68/22/957946822.db2.gz	GKZQRDHGPBZUIJ-MRVWCRGKSA-N	1	0	369.893	1.645	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3nccs3)C[C@H]2C)C1=O	ZINC001093289279	957980355	/nfs/dbraw/zinc/98/03/55/957980355.db2.gz	XIQPICARIPTQDY-KFWWJZLASA-N	1	0	362.499	1.618	20	30		FDEDRO
N=C(c1ccccc1N)N(O)C(=O)c1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1	ZINC001197610891	972308575	/nfs/dbraw/zinc/30/85/75/972308575.db2.gz	OKPMIFFRXINCBY-OAHLLOKOSA-N	1	0	354.410	1.692	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C3=COCCO3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093427021	958042807	/nfs/dbraw/zinc/04/28/07/958042807.db2.gz	HZYSVQDUBMEOOW-GZOSKZMVSA-N	1	0	370.877	1.593	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccncc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001093452383	958049859	/nfs/dbraw/zinc/04/98/59/958049859.db2.gz	HYORNVNFTRALBS-BNDYYXHWSA-N	1	0	355.482	1.857	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(OC)ns3)[C@H]2C(C)C)C[C@H]1O	ZINC001093446362	958093996	/nfs/dbraw/zinc/09/39/96/958093996.db2.gz	HKACGDNDAXGHHW-MHRLRVJTSA-N	1	0	363.483	1.365	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn4c(n3)CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093446316	958094285	/nfs/dbraw/zinc/09/42/85/958094285.db2.gz	HAFIJAKQQREEMU-BIJSTVTOSA-N	1	0	356.470	1.042	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc4n(n3)CCCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093448936	958111674	/nfs/dbraw/zinc/11/16/74/958111674.db2.gz	DJYIWHIPBDRGHD-ANTGDGSKSA-N	1	0	370.497	1.432	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccc(F)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093449088	958113206	/nfs/dbraw/zinc/11/32/06/958113206.db2.gz	FHEGAFRSLCJDKL-IZBJGVDFSA-N	1	0	359.445	1.363	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc4nc[nH]c4n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093449607	958117774	/nfs/dbraw/zinc/11/77/74/958117774.db2.gz	HNJYIQUSAMLEKN-VIPLHTEESA-N	1	0	369.469	1.724	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnn3C(F)F)[C@@H]2C(C)C)C[C@H]1O	ZINC001093450324	958122200	/nfs/dbraw/zinc/12/22/00/958122200.db2.gz	UHVBCQXYNNFFEH-SCFUHWHPSA-N	1	0	366.412	1.491	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cncc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093459424	958180344	/nfs/dbraw/zinc/18/03/44/958180344.db2.gz	SYKJYGSEQCDKES-LFGUQSLTSA-N	1	0	360.502	1.734	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@@H]1C(C)C	ZINC001093459999	958186368	/nfs/dbraw/zinc/18/63/68/958186368.db2.gz	OUCYUYRMJZTCFF-ZLHSVIROSA-N	1	0	351.491	1.040	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3n[nH]cc3F)[C@H]2C(C)C)C[C@H]1O	ZINC001093464116	958198111	/nfs/dbraw/zinc/19/81/11/958198111.db2.gz	CHUACAGKWGDBKZ-LGWLGOQQSA-N	1	0	370.856	1.881	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(CC)nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093464757	958202095	/nfs/dbraw/zinc/20/20/95/958202095.db2.gz	DAGYXRCYPNSAGW-MLYOOKFZSA-N	1	0	358.486	1.424	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cccnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093465495	958203640	/nfs/dbraw/zinc/20/36/40/958203640.db2.gz	KAXAWWISTLTCLD-RMVXJAJNSA-N	1	0	355.482	1.532	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH]c(=O)cc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093465639	958203809	/nfs/dbraw/zinc/20/38/09/958203809.db2.gz	KUDNVXIKEXSDTL-CIWUYKSXSA-N	1	0	357.454	1.309	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)c3cnc[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093471762	958235177	/nfs/dbraw/zinc/23/51/77/958235177.db2.gz	GNYDYHQZBPCOCW-UOSKARGWSA-N	1	0	360.502	1.839	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3[nH]cnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093471729	958235554	/nfs/dbraw/zinc/23/55/54/958235554.db2.gz	GKKXGFADZWSWRP-IZBJGVDFSA-N	1	0	360.502	1.803	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3cnccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093474518	958249281	/nfs/dbraw/zinc/24/92/81/958249281.db2.gz	VRRQLJVDRUAJAN-JYBIWHBTSA-N	1	0	356.470	1.009	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccc(=O)[nH]c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093454244	958266310	/nfs/dbraw/zinc/26/63/10/958266310.db2.gz	ASFMCPUCXGGSFP-YAJHFMINSA-N	1	0	359.470	1.482	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3ccnc(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093456515	958277596	/nfs/dbraw/zinc/27/75/96/958277596.db2.gz	FCKAZIWGMARALC-UKAVVXHISA-N	1	0	370.497	1.317	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncc(OC)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093457242	958279422	/nfs/dbraw/zinc/27/94/22/958279422.db2.gz	IYANQMIHPAQVKR-YKTARERQSA-N	1	0	360.458	1.251	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn4cccnc34)[C@@H]2C(C)C)C[C@H]1O	ZINC001093458387	958283365	/nfs/dbraw/zinc/28/33/65/958283365.db2.gz	CSELSAKOZSLZOL-VIPLHTEESA-N	1	0	369.469	1.495	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3snnc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093458877	958285450	/nfs/dbraw/zinc/28/54/50/958285450.db2.gz	PUCDZLPGAWRVGK-GZOSKZMVSA-N	1	0	364.515	1.866	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3n[nH]c4ccccc43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093477707	958289368	/nfs/dbraw/zinc/28/93/68/958289368.db2.gz	KVILVSLBKAQUSN-ZJSJBZJDSA-N	1	0	366.465	1.776	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc(CC)s3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093481839	958308368	/nfs/dbraw/zinc/30/83/68/958308368.db2.gz	YRANXHAGTQBDPI-PHNROFDPSA-N	1	0	361.511	1.918	20	30		FDEDRO
C#CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1	ZINC001093487969	958309286	/nfs/dbraw/zinc/30/92/86/958309286.db2.gz	YJJWFVMENKNLTR-FYBDHJHVSA-N	1	0	369.509	1.183	20	30		FDEDRO
CC#CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1	ZINC001093490038	958311986	/nfs/dbraw/zinc/31/19/86/958311986.db2.gz	NYTHMVHXXROTLL-XNTOXWQXSA-N	1	0	371.525	1.717	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093619604	958349503	/nfs/dbraw/zinc/34/95/03/958349503.db2.gz	QTFIKQJFHRTCLF-CZUORRHYSA-N	1	0	351.410	1.552	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCc2nc(CC)no2)C1	ZINC001197673223	972345178	/nfs/dbraw/zinc/34/51/78/972345178.db2.gz	JTPPSXLKMHHZLY-HUUCEWRRSA-N	1	0	368.478	1.280	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)c2cnns2)C[C@H]1C	ZINC001093655323	958445687	/nfs/dbraw/zinc/44/56/87/958445687.db2.gz	VZOKCHOOKNGGHZ-IUODEOHRSA-N	1	0	371.466	1.916	20	30		FDEDRO
Cc1cnn(CC(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)cc3)[C@H](C)C2)c1	ZINC001093662377	958459520	/nfs/dbraw/zinc/45/95/20/958459520.db2.gz	FSUMSXVVCIJRHI-VQIMIIECSA-N	1	0	351.454	1.948	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001093669699	958476860	/nfs/dbraw/zinc/47/68/60/958476860.db2.gz	MPITWKOQOWYLHA-RDTXWAMCSA-N	1	0	369.444	1.858	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2nc(CC(F)(F)F)no2)[C@H](C)C1	ZINC001093673020	958514959	/nfs/dbraw/zinc/51/49/59/958514959.db2.gz	ILTIRWNQPAFGLA-GMTAPVOTSA-N	1	0	359.352	1.518	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1C	ZINC001093675053	958521724	/nfs/dbraw/zinc/52/17/24/958521724.db2.gz	DSQDMUMOJCDGMK-KBRIMQKVSA-N	1	0	370.453	1.030	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CCc3ccoc3)C[C@H]2C)C1=O	ZINC001093707345	958543601	/nfs/dbraw/zinc/54/36/01/958543601.db2.gz	NARAWHIZXMQMLR-NXHRZFHOSA-N	1	0	359.470	1.683	20	30		FDEDRO
CCCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC001093699671	958565672	/nfs/dbraw/zinc/56/56/72/958565672.db2.gz	FWXPGATXNIALEN-UKRRQHHQSA-N	1	0	370.461	1.171	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+][C@H]1CCN(C2CCC2)C1=O	ZINC001093725365	958605925	/nfs/dbraw/zinc/60/59/25/958605925.db2.gz	IQXRNMVFXBFQIJ-SIIHOXLZSA-N	1	0	369.469	1.337	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1nccn1C(F)F	ZINC001093725757	958609088	/nfs/dbraw/zinc/60/90/88/958609088.db2.gz	CTMCKRWQFOXXDI-DGCLKSJQSA-N	1	0	362.384	1.976	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001093749000	958669584	/nfs/dbraw/zinc/66/95/84/958669584.db2.gz	NVFDGDXDPUDLOH-IUODEOHRSA-N	1	0	356.405	1.324	20	30		FDEDRO
COc1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ccccc3C#N)[C@H](C)C2)ncn1	ZINC001093774756	958743292	/nfs/dbraw/zinc/74/32/92/958743292.db2.gz	UOWCXJKGROFDCO-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccn3c(=O)[nH]nc23)C1	ZINC001197758164	972385057	/nfs/dbraw/zinc/38/50/57/972385057.db2.gz	HVGYFVZSBQLRKK-HUUCEWRRSA-N	1	0	361.446	1.180	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](N3CCC([NH2+]C4CCOCC4)CC3)C2=O)cc1	ZINC001197738931	972403400	/nfs/dbraw/zinc/40/34/00/972403400.db2.gz	KBMUDUIRUIMROC-FQEVSTJZSA-N	1	0	368.481	1.897	20	30		FDEDRO
C[C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093887190	959130618	/nfs/dbraw/zinc/13/06/18/959130618.db2.gz	MOGDUTCSCMFEGI-VQIMIIECSA-N	1	0	368.481	1.755	20	30		FDEDRO
COc1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)cc3)[C@H](C)C2)nn1C	ZINC001093905939	959291676	/nfs/dbraw/zinc/29/16/76/959291676.db2.gz	BLFLGCLOYVYOBD-RHSMWYFYSA-N	1	0	367.453	1.798	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)[C@H](C)C1	ZINC001093962276	959368098	/nfs/dbraw/zinc/36/80/98/959368098.db2.gz	SPAKVSHZJQHBFF-BZUAXINKSA-N	1	0	356.532	1.708	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001093966073	959376552	/nfs/dbraw/zinc/37/65/52/959376552.db2.gz	BOKJAINAPLNMBN-IUODEOHRSA-N	1	0	371.416	1.634	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093939393	959403795	/nfs/dbraw/zinc/40/37/95/959403795.db2.gz	ARRQEPMUKHHWNO-CXAGYDPISA-N	1	0	366.421	1.748	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(NC(=O)NC)c2)C1	ZINC001197782483	972440099	/nfs/dbraw/zinc/44/00/99/972440099.db2.gz	JCSZBHIASYDRCX-KBRIMQKVSA-N	1	0	360.458	1.568	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3conc3CC)C[C@H]2C)C1=O	ZINC001094023070	959541726	/nfs/dbraw/zinc/54/17/26/959541726.db2.gz	FOBZYEZCTCEZOI-CKEIUWERSA-N	1	0	360.458	1.322	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3ncnn3CCC)[C@H](C)C2)c1	ZINC001094027737	959548452	/nfs/dbraw/zinc/54/84/52/959548452.db2.gz	CTOVSWNUMPSOIK-CRAIPNDOSA-N	1	0	366.469	1.562	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3ccnc(OC)n3)[C@H](C)C2)c1	ZINC001094028245	959550441	/nfs/dbraw/zinc/55/04/41/959550441.db2.gz	WPYSSDLNQDAHIE-RHSMWYFYSA-N	1	0	365.437	1.359	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc(=O)n2C)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001094030500	959556572	/nfs/dbraw/zinc/55/65/72/959556572.db2.gz	MWSHZVOOERHKFD-CRAIPNDOSA-N	1	0	364.449	1.755	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)Cc3cccnc3C)C[C@H]2C)C1=O	ZINC001094039004	959580761	/nfs/dbraw/zinc/58/07/61/959580761.db2.gz	CWWSMISOAAELAM-LZQZEXGQSA-N	1	0	370.497	1.404	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C3(C(C)(F)F)CC3)C[C@H]2C)C1=O	ZINC001094048841	959622778	/nfs/dbraw/zinc/62/27/78/959622778.db2.gz	PQQWHOLNTFGVMW-KFWWJZLASA-N	1	0	369.456	1.893	20	30		FDEDRO
COc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3cccc(C#N)c3)[C@H](C)C2)n1	ZINC001094090799	959752100	/nfs/dbraw/zinc/75/21/00/959752100.db2.gz	ICPDLGRHBBCXMK-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cncn3C)[C@H](C)C2)cc1	ZINC001094093605	959763935	/nfs/dbraw/zinc/76/39/35/959763935.db2.gz	XUIBRRVLIMWYPF-SJLPKXTDSA-N	1	0	366.465	1.930	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3scnc3C)[C@H](C)C2)nn1	ZINC001094095292	959772392	/nfs/dbraw/zinc/77/23/92/959772392.db2.gz	MBPOLRRCIFOFQF-TZMCWYRMSA-N	1	0	360.487	1.727	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ocnc3C)[C@H](C)C2)nn1	ZINC001094099597	959782338	/nfs/dbraw/zinc/78/23/38/959782338.db2.gz	HSMSFAQOTUYFSN-UKRRQHHQSA-N	1	0	358.446	1.649	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001094108409	959786469	/nfs/dbraw/zinc/78/64/69/959786469.db2.gz	BECYHDVFUNAMSA-IUODEOHRSA-N	1	0	356.405	1.324	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001094125761	959832458	/nfs/dbraw/zinc/83/24/58/959832458.db2.gz	GEOMVHAYAKCPFU-CZUORRHYSA-N	1	0	353.401	1.985	20	30		FDEDRO
C[N@@H+]1C[C@H](C(=O)NCCNc2ccc(C#N)nn2)[C@@H](c2ccccc2)C1	ZINC001094132242	959854069	/nfs/dbraw/zinc/85/40/69/959854069.db2.gz	WUJKIWAMDPPDJL-SJORKVTESA-N	1	0	350.426	1.222	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001094135653	959867491	/nfs/dbraw/zinc/86/74/91/959867491.db2.gz	AULVMYGQGJGFRF-CXAGYDPISA-N	1	0	365.437	1.483	20	30		FDEDRO
CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3cc(F)ccc3C#N)[C@H](C)C2)nn1	ZINC001094138789	959876270	/nfs/dbraw/zinc/87/62/70/959876270.db2.gz	QGIZEQAWUMTZBZ-CZUORRHYSA-N	1	0	370.432	1.807	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cn(C)nc2C)[C@H](C)C1	ZINC001094103078	959883445	/nfs/dbraw/zinc/88/34/45/959883445.db2.gz	AONLUHGIYVMHPB-JZGRTCEGSA-N	1	0	360.502	1.894	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001094166129	959952001	/nfs/dbraw/zinc/95/20/01/959952001.db2.gz	PCZSMZWZAXHUCW-RHSMWYFYSA-N	1	0	369.444	1.858	20	30		FDEDRO
Cc1nonc1CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1	ZINC001094142083	959997578	/nfs/dbraw/zinc/99/75/78/959997578.db2.gz	ITLPXVKIMFQBAX-CXAGYDPISA-N	1	0	353.426	1.677	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001094207859	960005733	/nfs/dbraw/zinc/00/57/33/960005733.db2.gz	LZEBUYYZZCPCAJ-CZUORRHYSA-N	1	0	356.405	1.173	20	30		FDEDRO
C#C[C@H](N[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCO1	ZINC000775789834	972479588	/nfs/dbraw/zinc/47/95/88/972479588.db2.gz	FFDNMGQNGPGQMK-LMCOJAPRSA-N	1	0	355.482	1.536	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3ccc(C)nc3C)C[C@H]2C)C1=O	ZINC001094238032	960152916	/nfs/dbraw/zinc/15/29/16/960152916.db2.gz	WJWQICJILSHUPD-LSBZLQRGSA-N	1	0	370.497	1.783	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001094254726	960226690	/nfs/dbraw/zinc/22/66/90/960226690.db2.gz	GOQVDPFOWMCGIL-RHSMWYFYSA-N	1	0	355.417	1.778	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@]3(CNC(=O)c4cncnc4)CCC[C@@H]23)C1=O	ZINC001094400958	960356132	/nfs/dbraw/zinc/35/61/32/960356132.db2.gz	YHORUWDPCCAFSJ-SQGPQFPESA-N	1	0	369.469	1.238	20	30		FDEDRO
C#C[C@@H](NCC(=O)NCc1c(C)nn(-c2ccccc2)c1C)[C@@H]1CCCO1	ZINC000775790887	972500368	/nfs/dbraw/zinc/50/03/68/972500368.db2.gz	JSTVJOMKVPVKKB-UXHICEINSA-N	1	0	366.465	1.876	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3coc(S(C)(=O)=O)c3)CCC[C@@H]12	ZINC001094421177	960417973	/nfs/dbraw/zinc/41/79/73/960417973.db2.gz	SANNQMCSLVAFHW-CRAIPNDOSA-N	1	0	364.467	1.681	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnc(C)o1)CC2	ZINC001094436188	960425188	/nfs/dbraw/zinc/42/51/88/960425188.db2.gz	AUWLNMIHSKCDFM-QKNQBKEWSA-N	1	0	370.497	1.941	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4ccccn4c3=O)CCC[C@@H]12	ZINC001094448864	960517414	/nfs/dbraw/zinc/51/74/14/960517414.db2.gz	CASJSQPEJNFZFU-OXQOHEQNSA-N	1	0	352.438	1.855	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+](CC/C=C\CCC)C[C@H]1O	ZINC001197902963	972509910	/nfs/dbraw/zinc/50/99/10/972509910.db2.gz	AYHDQCQRWPBNTB-XXCOWLKOSA-N	1	0	357.454	1.615	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@@]3(CNC(=O)c4c[nH]nc4C)CCC[C@@H]23)C1=O	ZINC001094485144	960572793	/nfs/dbraw/zinc/57/27/93/960572793.db2.gz	ORSCMFVZTKJNKW-SQGPQFPESA-N	1	0	371.485	1.479	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2Cc3ccccc3C2=O)C1	ZINC001197903070	972516112	/nfs/dbraw/zinc/51/61/12/972516112.db2.gz	DAGHSFDYJAAJFU-ZTFGCOKTSA-N	1	0	357.454	1.158	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3COCCN3CC(F)F)CCC[C@@H]12	ZINC001094477945	960651300	/nfs/dbraw/zinc/65/13/00/960651300.db2.gz	MRJWPLLIOLKVHH-GPMSIDNRSA-N	1	0	371.472	1.889	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3COCCN3CC(F)F)CCC[C@@H]12	ZINC001094478625	960655736	/nfs/dbraw/zinc/65/57/36/960655736.db2.gz	XSAZSXHLBZEZBE-GPMSIDNRSA-N	1	0	369.456	1.336	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3COCCN3CC(F)F)CCC[C@@H]12	ZINC001094478648	960655960	/nfs/dbraw/zinc/65/59/60/960655960.db2.gz	YWGDAOMWVFYRCU-FRQCXROJSA-N	1	0	371.472	1.889	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2ccnn2C)CC3)c1	ZINC001094508907	960688109	/nfs/dbraw/zinc/68/81/09/960688109.db2.gz	VFFYDMGGSOFUES-TZIWHRDSSA-N	1	0	363.465	1.971	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3nnn(C)c3C(F)(F)F)CCC[C@@H]12	ZINC001094532754	960743768	/nfs/dbraw/zinc/74/37/68/960743768.db2.gz	MSZKTAZGFGZWQO-MLGOLLRUSA-N	1	0	369.391	1.832	20	30		FDEDRO
Cn1ncc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC#Cc2ccccc2)CC3)n1	ZINC001094535028	960751926	/nfs/dbraw/zinc/75/19/26/960751926.db2.gz	XKWUGJHVNWQIOE-TZIWHRDSSA-N	1	0	363.465	1.841	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc3ccccc3n2)C1	ZINC001197896916	972531708	/nfs/dbraw/zinc/53/17/08/972531708.db2.gz	YWTVDRARXCJOEO-RTBURBONSA-N	1	0	356.470	1.944	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(=O)n(CCCC)n3)CCC[C@@H]12	ZINC001094576024	960858865	/nfs/dbraw/zinc/85/88/65/960858865.db2.gz	MTAJBUMPQHGPER-YLJYHZDGSA-N	1	0	356.470	1.651	20	30		FDEDRO
C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1	ZINC000773947142	961116858	/nfs/dbraw/zinc/11/68/58/961116858.db2.gz	CIAZPQOKJNAWNT-OAHLLOKOSA-N	1	0	359.495	1.697	20	30		FDEDRO
N#Cc1ccccc1CC(=O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1	ZINC001181798026	961120198	/nfs/dbraw/zinc/12/01/98/961120198.db2.gz	ATMUDGINHVREAI-UHFFFAOYSA-N	1	0	374.404	1.758	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CC(CC)CC)C2)C1	ZINC001094788297	961165736	/nfs/dbraw/zinc/16/57/36/961165736.db2.gz	PKWNFDAOQKDLGW-NXHRZFHOSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=C(C)CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3C[C@H]3c3cccnc3)CC2=O)C1	ZINC001094788386	961165877	/nfs/dbraw/zinc/16/58/77/961165877.db2.gz	RVULZGHGPBGFPK-NZSAHSFTSA-N	1	0	368.481	1.553	20	30		FDEDRO
N#Cc1ccccc1C(=O)N1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1	ZINC001182015116	961373859	/nfs/dbraw/zinc/37/38/59/961373859.db2.gz	DJHSZSCONCZKRJ-IBGZPJMESA-N	1	0	366.465	1.621	20	30		FDEDRO
C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@@H+]([C@H]1CCN(CC)C(=O)C1)C2	ZINC001172040139	961439680	/nfs/dbraw/zinc/43/96/80/961439680.db2.gz	TXBHFPZKDZMGEO-PXNSSMCTSA-N	1	0	362.518	1.180	20	30		FDEDRO
C=CCOC[C@@H]1CCC[C@@]12C[N@H+](C1C[C@@H]3COC[C@H](C1)N3C)CCO2	ZINC001172139165	961483087	/nfs/dbraw/zinc/48/30/87/961483087.db2.gz	JXRDFTRKGDULQC-FCFHUKJJSA-N	1	0	350.503	1.922	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1	ZINC000773996868	961547426	/nfs/dbraw/zinc/54/74/26/961547426.db2.gz	CUEVQQKBDKPWQR-UHFFFAOYSA-N	1	0	374.416	1.657	20	30		FDEDRO
CC(=O)N1CCO[C@@]2(C1)COCC[N@@H+]([C@H](C)Cc1ccc(C#N)cc1)C2	ZINC001172304925	961615748	/nfs/dbraw/zinc/61/57/48/961615748.db2.gz	BLOTWGGJEPWASC-UZLBHIALSA-N	1	0	357.454	1.439	20	30		FDEDRO
CNC(=O)CO[C@H]1COC2(C1)CC[NH+]([C@@H](C)Cc1ccc(C#N)cc1)CC2	ZINC001172304540	961616088	/nfs/dbraw/zinc/61/60/88/961616088.db2.gz	NXTQXFUGORUTOQ-QFBILLFUSA-N	1	0	371.481	1.875	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)n1nc(C(=O)N2CCOCC2)c2c1C[NH2+]C2	ZINC001172309249	961617805	/nfs/dbraw/zinc/61/78/05/961617805.db2.gz	RVKGCPVYFWXEPF-CQSZACIVSA-N	1	0	365.437	1.634	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CCN(C3COC3)C2)C[C@H]1C#N	ZINC001172966645	961853953	/nfs/dbraw/zinc/85/39/53/961853953.db2.gz	CKBKJPZTUKJQGE-KKUMJFAQSA-N	1	0	350.463	1.341	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCCN2CCCC2=O)C[C@H]1C#N	ZINC001172967149	961854196	/nfs/dbraw/zinc/85/41/96/961854196.db2.gz	HFFWJQPQEFNRJK-CABCVRRESA-N	1	0	350.463	1.880	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)[C@@](C)(CO)C2)C[C@H]1C#N	ZINC001172979838	961863107	/nfs/dbraw/zinc/86/31/07/961863107.db2.gz	IDAYHSCPQGLMOV-YRBFXIGRSA-N	1	0	353.463	1.343	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@]2(C)CCC(=O)NC2=O)C[C@H]1C#N	ZINC001172982549	961865906	/nfs/dbraw/zinc/86/59/06/961865906.db2.gz	DJTNVHJZEFNSGQ-NVGCLXPQSA-N	1	0	350.419	1.063	20	30		FDEDRO
C[NH+](C)C[C@H]1COCCN1[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1	ZINC001172992266	961901320	/nfs/dbraw/zinc/90/13/20/961901320.db2.gz	UPQKUUMQXQIZAB-JYJNAYRXSA-N	1	0	352.479	1.540	20	30		FDEDRO
CN(C)C(=O)CN1CC[C@]2(CCC[N@@H+](C3CCC(CC#N)CC3)C2)C1=O	ZINC001173334210	962006212	/nfs/dbraw/zinc/00/62/12/962006212.db2.gz	WBYKPFTVYMYCAC-UHYCVJNDSA-N	1	0	360.502	1.862	20	30		FDEDRO
N#CCC1CCC([N@@H+]2CCO[C@]3(C2)COCCN(c2ncccn2)C3)CC1	ZINC001173335823	962007673	/nfs/dbraw/zinc/00/76/73/962007673.db2.gz	ZXLKQSPBZKBHDZ-QLOJAFMTSA-N	1	0	371.485	1.857	20	30		FDEDRO
C[N@H+](CCN1CCOCC1)C1CCN(C(=O)c2ccc(C#N)cc2)CC1	ZINC001173428519	962143974	/nfs/dbraw/zinc/14/39/74/962143974.db2.gz	IIECXGVIMIKLBS-UHFFFAOYSA-N	1	0	356.470	1.427	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2cccnc2)C[C@H]1C	ZINC001182684218	962430249	/nfs/dbraw/zinc/43/02/49/962430249.db2.gz	ABPJDTLHNNWTHH-LNNXQNCSSA-N	1	0	370.497	1.562	20	30		FDEDRO
CCOC(=O)[C@H]1CC12CCC([NH+]1CCN(c3nccnc3C#N)CC1)CC2	ZINC001173619356	962479257	/nfs/dbraw/zinc/47/92/57/962479257.db2.gz	YIYHBBFPVRNXCW-LFDOHDQPSA-N	1	0	369.469	1.982	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)N(C)C)C1	ZINC001182847026	962560243	/nfs/dbraw/zinc/56/02/43/962560243.db2.gz	YEMKGJWHMSYBIG-NDUPCHFUSA-N	1	0	365.518	1.520	20	30		FDEDRO
C=CCOCc1ncn2c1C[N@@H+]([C@H]1CCC[C@@H](n3ncnn3)C1)CCC2	ZINC001173752756	962626538	/nfs/dbraw/zinc/62/65/38/962626538.db2.gz	ZPQZOPLBYYNQPD-JKSUJKDBSA-N	1	0	357.462	1.962	20	30		FDEDRO
C=CCOC(=O)N1CC2(C1)CC[NH+]([C@H]1CCC[C@@H](n3ncnn3)C1)CC2	ZINC001173756139	962633058	/nfs/dbraw/zinc/63/30/58/962633058.db2.gz	OEAHAJXXFBGZQE-JKSUJKDBSA-N	1	0	360.462	1.877	20	30		FDEDRO
C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)COc2ccc(C#N)cc2)C1	ZINC001182913951	962658171	/nfs/dbraw/zinc/65/81/71/962658171.db2.gz	WVJANRLNXYKSSB-INIZCTEOSA-N	1	0	353.426	1.354	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1	ZINC000773422473	962978276	/nfs/dbraw/zinc/97/82/76/962978276.db2.gz	RZZAPMIRQIRJGN-UHFFFAOYSA-N	1	0	355.398	1.034	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1	ZINC000773466317	963073990	/nfs/dbraw/zinc/07/39/90/963073990.db2.gz	HDPQINWQRJUGFY-UHFFFAOYSA-N	1	0	361.361	1.857	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)/C=C(/C)C1CC1)C2	ZINC001110334302	963083844	/nfs/dbraw/zinc/08/38/44/963083844.db2.gz	HEDBGDBWFFHWJR-MBNPPISFSA-N	1	0	374.485	1.465	20	30		FDEDRO
C=CCOCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC(C)C)C2	ZINC001111684116	963171797	/nfs/dbraw/zinc/17/17/97/963171797.db2.gz	CQSNVPGVUKUBEA-LPHOPBHVSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)N(c2ncccn2)C2C[NH2+]C2)C1	ZINC001183623314	963196936	/nfs/dbraw/zinc/19/69/36/963196936.db2.gz	IRPDNOQPPKHECI-IBGZPJMESA-N	1	0	373.457	1.737	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C2(CO)CCCCCCC2)nc1	ZINC001175502166	963216425	/nfs/dbraw/zinc/21/64/25/963216425.db2.gz	CXGWMXLOKPEIIM-UHFFFAOYSA-N	1	0	351.472	1.792	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCOCCOC	ZINC001175664396	963260594	/nfs/dbraw/zinc/26/05/94/963260594.db2.gz	UWKZZXLRGYMQER-BZSNNMDCSA-N	1	0	356.507	1.895	20	30		FDEDRO
C=CCc1cc(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cc(OC)c1OC	ZINC000773526980	963298337	/nfs/dbraw/zinc/29/83/37/963298337.db2.gz	BGYKGXLUNMFZHW-KRWDZBQOSA-N	1	0	359.470	1.552	20	30		FDEDRO
N#Cc1ccccc1CN1CCCC[C@H]1C(=O)N1CCn2nncc2C1	ZINC001183830856	963301211	/nfs/dbraw/zinc/30/12/11/963301211.db2.gz	JMPUCIBWTKTFAK-SFHVURJKSA-N	1	0	350.426	1.547	20	30		FDEDRO
C=CCOC(=O)c1c(N)nn(-c2ccc(CC[NH+]3CCOCC3)cc2)c1N	ZINC001176379869	963423868	/nfs/dbraw/zinc/42/38/68/963423868.db2.gz	PEEOYTLDLUBGHC-UHFFFAOYSA-N	1	0	371.441	1.254	20	30		FDEDRO
C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@H]1CN(c3cccc(C#N)c3)C(=O)O1)C2	ZINC001184378853	963564240	/nfs/dbraw/zinc/56/42/40/963564240.db2.gz	KCXRLFMDQSJOBC-SIXWZSSISA-N	1	0	354.410	1.294	20	30		FDEDRO
O=C(C#Cc1cccnc1)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1	ZINC001177773933	963948336	/nfs/dbraw/zinc/94/83/36/963948336.db2.gz	PYOIEIDTPGTELV-OXQOHEQNSA-N	1	0	366.396	1.521	20	30		FDEDRO
O=C(C#Cc1ccccn1)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12	ZINC001177802037	963975854	/nfs/dbraw/zinc/97/58/54/963975854.db2.gz	SRVORRYRSCPQPO-CDXJDZJCSA-N	1	0	362.433	1.628	20	30		FDEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H](C#N)Cc1cccs1)CC2	ZINC001177909785	964019408	/nfs/dbraw/zinc/01/94/08/964019408.db2.gz	YXDVKANZOHXSHS-OAHLLOKOSA-N	1	0	374.510	1.633	20	30		FDEDRO
C#CCC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@H]3OCC[C@H]3CC)C2)nn1	ZINC001185954385	964214435	/nfs/dbraw/zinc/21/44/35/964214435.db2.gz	MSWRMCSRJHCMLE-NXHRZFHOSA-N	1	0	359.474	1.370	20	30		FDEDRO
C#CCC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]3CCO[C@H]3C=C)C2)nn1	ZINC001186008254	964250997	/nfs/dbraw/zinc/25/09/97/964250997.db2.gz	QPXTXDAWSVNNMX-KSZLIROESA-N	1	0	357.458	1.146	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCCCCCC[NH2+][C@@H]1CCC(=O)NC1=O	ZINC001178508975	964261677	/nfs/dbraw/zinc/26/16/77/964261677.db2.gz	ADBULCOHKBKDEP-OAGGEKHMSA-N	1	0	365.474	1.039	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(C)=O)C1	ZINC001186157672	964327758	/nfs/dbraw/zinc/32/77/58/964327758.db2.gz	YEWMVGPDXBZZQM-LSBZLQRGSA-N	1	0	359.445	1.505	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCc2ccco2)C1	ZINC001186243709	964370667	/nfs/dbraw/zinc/37/06/67/964370667.db2.gz	PQYIQRRPTUNEDU-HFTRVMKXSA-N	1	0	361.442	1.068	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COC1CCOCC1	ZINC001110380209	964451208	/nfs/dbraw/zinc/45/12/08/964451208.db2.gz	OVBQQRHSSATUPS-ATLSCFEFSA-N	1	0	352.475	1.231	20	30		FDEDRO
C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)CC12CCOCC2	ZINC001186409717	964477524	/nfs/dbraw/zinc/47/75/24/964477524.db2.gz	CQCZENIEODDZEK-ULQDDVLXSA-N	1	0	352.475	1.211	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2OCC[C@H]2C)CC12CCOCC2	ZINC001186504387	964531086	/nfs/dbraw/zinc/53/10/86/964531086.db2.gz	LWKFNKCHJPYJSP-KURKYZTESA-N	1	0	366.502	1.459	20	30		FDEDRO
CC(=O)N1CCC([NH+]2CCC(C(=O)Nc3cnc(C#N)cn3)CC2)CC1	ZINC001179007751	964620201	/nfs/dbraw/zinc/62/02/01/964620201.db2.gz	LFQYZIWGTXCVDV-UHFFFAOYSA-N	1	0	356.430	1.010	20	30		FDEDRO
CC(C)(C)OC(=O)NC1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]3C#N)C2)CC1	ZINC001186976563	964919674	/nfs/dbraw/zinc/91/96/74/964919674.db2.gz	DMOJLOIEXNBLHW-FVQBIDKESA-N	1	0	362.474	1.736	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1cncn1C	ZINC001179630222	964939988	/nfs/dbraw/zinc/93/99/88/964939988.db2.gz	LLVGYGJTMANCRG-HZPDHXFCSA-N	1	0	361.490	1.092	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+]CC(=O)NCCCC	ZINC001179633387	964940596	/nfs/dbraw/zinc/94/05/96/964940596.db2.gz	DRKGYFOPHRWMHQ-SJORKVTESA-N	1	0	353.507	1.760	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+][C@H](CCCC)C(N)=O	ZINC001179638707	964942209	/nfs/dbraw/zinc/94/22/09/964942209.db2.gz	VXFPAYXHVPLBAO-ZACQAIPSSA-N	1	0	353.507	1.888	20	30		FDEDRO
C#CCCCNC(=O)C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1	ZINC000775084789	964986284	/nfs/dbraw/zinc/98/62/84/964986284.db2.gz	RWONNVHDJPXEOX-GOSISDBHSA-N	1	0	357.454	1.478	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)COC(C)C)[C@@H]2C1	ZINC001187159614	965019962	/nfs/dbraw/zinc/01/99/62/965019962.db2.gz	GDIICYCLEUVXNY-OKZBNKHCSA-N	1	0	365.518	1.757	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC2)C1	ZINC001111559843	965040045	/nfs/dbraw/zinc/04/00/45/965040045.db2.gz	IPEBBIGYTRDOCT-WTANOLMUSA-N	1	0	362.474	1.158	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@H+](CCc3ccc4c(c3)CCO4)C[C@H]21	ZINC001187327317	965194920	/nfs/dbraw/zinc/19/49/20/965194920.db2.gz	ZVWMXAYNJOZRQW-RBUKOAKNSA-N	1	0	356.466	1.899	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@H]2C[N@H+](CCCO[C@H]3CCOC3)C[C@H]21	ZINC001187472123	965382830	/nfs/dbraw/zinc/38/28/30/965382830.db2.gz	AIOUVCPNPAEHLX-GBESFXJTSA-N	1	0	366.502	1.698	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21	ZINC001187472234	965382929	/nfs/dbraw/zinc/38/29/29/965382929.db2.gz	DGIJNASAEUQJAC-OKZBNKHCSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21	ZINC001187472432	965383024	/nfs/dbraw/zinc/38/30/24/965383024.db2.gz	IRWFOFLBLOVLOB-OKZBNKHCSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@H]2C[N@@H+]([C@H](CCCC)C(N)=O)C[C@H]21	ZINC001187472136	965383600	/nfs/dbraw/zinc/38/36/00/965383600.db2.gz	ALNFXMPYSCBCSD-GVDBMIGSSA-N	1	0	351.491	1.546	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](CC3CCC(F)(F)CC3)C[C@H]21	ZINC001187591158	965510500	/nfs/dbraw/zinc/51/05/00/965510500.db2.gz	DEQTWCBXVVZMPP-JKSUJKDBSA-N	1	0	367.440	1.484	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)c3cccc(OC)c3)C[C@H]21	ZINC001187598315	965520464	/nfs/dbraw/zinc/52/04/64/965520464.db2.gz	LJLIDFZIDGZKQD-VDZJLULYSA-N	1	0	369.465	1.428	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](C[C@H](OC)c3ccccc3)C[C@H]21	ZINC001187605590	965555567	/nfs/dbraw/zinc/55/55/67/965555567.db2.gz	MGVJCQZKMXZJSB-OTWHNJEPSA-N	1	0	369.465	1.046	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CC[C@H]2C[N@H+](Cc3cc(CO)ccc3F)C[C@H]21	ZINC001187763703	965730918	/nfs/dbraw/zinc/73/09/18/965730918.db2.gz	SJXWWZILCGNJAU-CVAIRZPRSA-N	1	0	362.445	1.678	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CC[C@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@H]21	ZINC001187764380	965732920	/nfs/dbraw/zinc/73/29/20/965732920.db2.gz	YKWINAPKHZWFLM-LXZKKBNFSA-N	1	0	352.866	1.396	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+]([C@H]1CCNC1=O)CC2	ZINC000957608672	1013595760	/nfs/dbraw/zinc/59/57/60/1013595760.db2.gz	YPADSCNVWHPYJZ-IKGGRYGDSA-N	1	0	361.486	1.171	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(C(C)(C)C)C3=O)C[C@H]21	ZINC001187857471	965798310	/nfs/dbraw/zinc/79/83/10/965798310.db2.gz	NAOQVORJQJZVDI-GVDBMIGSSA-N	1	0	359.514	1.968	20	30		FDEDRO
C=CCCOCCCCC(=O)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21	ZINC001187903414	965843780	/nfs/dbraw/zinc/84/37/80/965843780.db2.gz	FKNUJJQIKVEPAF-ZWKOTPCHSA-N	1	0	354.491	1.291	20	30		FDEDRO
COCC#CCN1C[C@@H]2CCN(C(=O)c3ccn(C4CCCC4)n3)[C@@H]2C1	ZINC001188067611	965988950	/nfs/dbraw/zinc/98/89/50/965988950.db2.gz	ASUVNSYEXQUVFW-QFBILLFUSA-N	1	0	356.470	1.794	20	30		FDEDRO
C=C(C)CCC(=O)N1CC[C@H]2C[N@H+](C[C@@H](O)COC3CCOCC3)C[C@H]21	ZINC001188086917	965998700	/nfs/dbraw/zinc/99/87/00/965998700.db2.gz	GLNGLYQYWYZRGT-YQVWRLOYSA-N	1	0	366.502	1.432	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1CC[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]21)OCC	ZINC001188095847	966006939	/nfs/dbraw/zinc/00/69/39/966006939.db2.gz	UKDUCDDFNPZARR-RCCFBDPRSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cccc4c3COCC4)[C@@H]2C1	ZINC001188174112	966078139	/nfs/dbraw/zinc/07/81/39/966078139.db2.gz	SGMKDRWGQCNWOK-QFBILLFUSA-N	1	0	369.465	1.208	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnc4nccnc4c3)[C@@H]2C1	ZINC001188226831	966138159	/nfs/dbraw/zinc/13/81/59/966138159.db2.gz	WNOZWOGHVCWMIQ-WMLDXEAASA-N	1	0	353.426	1.374	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)CCS(=O)(=O)CC(C)C)[C@@H]2C1	ZINC001188374944	966246014	/nfs/dbraw/zinc/24/60/14/966246014.db2.gz	DWCBLKHSBJVYQR-DLBZAZTESA-N	1	0	356.532	1.946	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc([C@@H]4CCOC4)c3)[C@@H]2C1	ZINC001188388977	966257027	/nfs/dbraw/zinc/25/70/27/966257027.db2.gz	YCJISMLALSCPIE-PWRODBHTSA-N	1	0	368.477	1.987	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(=O)c4ccccc4[nH]3)[C@@H]2C1	ZINC001188476526	966347362	/nfs/dbraw/zinc/34/73/62/966347362.db2.gz	OVFNIFZXDOYBQS-HNAYVOBHSA-N	1	0	367.449	1.877	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4cc(C)ccc4O3)[C@@H]2C1	ZINC001188555375	966392623	/nfs/dbraw/zinc/39/26/23/966392623.db2.gz	WYLVQVUFKDRXSG-ZVDOUQERSA-N	1	0	368.477	1.871	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3OCCc4ccccc43)[C@@H]2C1	ZINC001188753160	966525584	/nfs/dbraw/zinc/52/55/84/966525584.db2.gz	RUWOWQUBAAUVBM-DFQSSKMNSA-N	1	0	354.450	1.483	20	30		FDEDRO
CC#CCCCC(=O)N1CC[C@H]2C[N@@H+](CCCNS(=O)(=O)CC)C[C@H]21	ZINC001188903512	966645959	/nfs/dbraw/zinc/64/59/59/966645959.db2.gz	ZKIVYLXHHBZKNM-DLBZAZTESA-N	1	0	369.531	1.042	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@H+](CCNC(=O)NC(C)C)C[C@H]21	ZINC001188909688	966650023	/nfs/dbraw/zinc/65/00/23/966650023.db2.gz	WRVAWISJBMNJBS-YESZJQIVSA-N	1	0	350.507	1.829	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4nn(C)cc43)[C@@H]2C1	ZINC001188950205	966668226	/nfs/dbraw/zinc/66/82/26/966668226.db2.gz	YWYDFWGXOLKQIJ-TXPKVOOTSA-N	1	0	358.486	1.575	20	30		FDEDRO
C=C1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]32)CC1	ZINC001189040884	966712716	/nfs/dbraw/zinc/71/27/16/966712716.db2.gz	HMKOHMFIIZBYDE-DLBZAZTESA-N	1	0	369.531	1.157	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3[C@@H]4c5ccccc5C[C@H]34)[C@@H]2C1	ZINC001189341608	966921707	/nfs/dbraw/zinc/92/17/07/966921707.db2.gz	GQQNESBUIQZRKE-AYZHRIAMSA-N	1	0	350.462	1.755	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cn4nc(C)cc4[nH]c3=O)[C@@H]2C1	ZINC001189420377	966966499	/nfs/dbraw/zinc/96/64/99/966966499.db2.gz	YEOFTSAFLIRDCF-YQQAZPJKSA-N	1	0	369.469	1.832	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccc(N2CCOCC2)cc1	ZINC000775256241	966984542	/nfs/dbraw/zinc/98/45/42/966984542.db2.gz	XKTNZSKHTTXYEN-MGPUTAFESA-N	1	0	356.470	1.982	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(CNC(C)=O)o3)[C@@H]2C1	ZINC001189439803	966990682	/nfs/dbraw/zinc/99/06/82/966990682.db2.gz	WBEIFWZKAZMTFS-DOTOQJQBSA-N	1	0	361.442	1.265	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc4nccnc43)[C@@H]2C1	ZINC001189522913	967031645	/nfs/dbraw/zinc/03/16/45/967031645.db2.gz	RAYRBCBPPAKRPW-MAUKXSAKSA-N	1	0	350.422	1.426	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4ccncc4)c3)[C@@H]2C1	ZINC001189543822	967033328	/nfs/dbraw/zinc/03/33/28/967033328.db2.gz	JRHLUDUQRGCNKL-QFBILLFUSA-N	1	0	367.453	1.616	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cccc3)[C@@H]2C1	ZINC001189538848	967062996	/nfs/dbraw/zinc/06/29/96/967062996.db2.gz	ZHTXJXYPWGFTFZ-RBUKOAKNSA-N	1	0	370.497	1.612	20	30		FDEDRO
C#CCOCC[NH+]1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1	ZINC000852209096	967099906	/nfs/dbraw/zinc/09/99/06/967099906.db2.gz	KXBXIVDZDYVFDX-OAHLLOKOSA-N	1	0	350.459	1.291	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccnc4nc(C)nn43)[C@@H]2C1	ZINC001189770749	967253669	/nfs/dbraw/zinc/25/36/69/967253669.db2.gz	CDZMCERRMDRBGT-JLJPHGGASA-N	1	0	354.458	1.934	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)n1	ZINC000852413352	967283672	/nfs/dbraw/zinc/28/36/72/967283672.db2.gz	UFLFJGYFONJRAC-QGZVFWFLSA-N	1	0	361.490	1.547	20	30		FDEDRO
C#C[C@@H](NC(=O)NCC1CC[NH+](C2CCOCC2)CC1)C1CCOCC1	ZINC000852429618	967294985	/nfs/dbraw/zinc/29/49/85/967294985.db2.gz	SDDGVRSRCGKWRD-LJQANCHMSA-N	1	0	363.502	1.605	20	30		FDEDRO
Cn1cc(C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)c(-c2ccc(C#N)cc2)n1	ZINC000852438169	967308995	/nfs/dbraw/zinc/30/89/95/967308995.db2.gz	NESRSZZBMJKQST-QGZVFWFLSA-N	1	0	351.410	1.985	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+][C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852455266	967333928	/nfs/dbraw/zinc/33/39/28/967333928.db2.gz	RZGMLPVBRLJFOB-YPMHNXCESA-N	1	0	353.344	1.234	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)NCC=C)C[C@H]21	ZINC001189942473	967444123	/nfs/dbraw/zinc/44/41/23/967444123.db2.gz	RAVJSZNNBLPKMO-LSTHTHJFSA-N	1	0	365.477	1.434	20	30		FDEDRO
N#CCNC(=O)C[NH+]1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1	ZINC000852601030	967458026	/nfs/dbraw/zinc/45/80/26/967458026.db2.gz	NXGJVRNOFSTZRN-ZDUSSCGKSA-N	1	0	360.380	1.139	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccccc3F)[C@@H]2C1	ZINC001190013254	967463450	/nfs/dbraw/zinc/46/34/50/967463450.db2.gz	JNGBHNOFWWGHJP-UWWQBHOKSA-N	1	0	359.445	1.592	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccccc3F)[C@@H]2C1	ZINC001190013252	967463878	/nfs/dbraw/zinc/46/38/78/967463878.db2.gz	JNGBHNOFWWGHJP-QILLFSRXSA-N	1	0	359.445	1.592	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)COc3cc(C)cc(C)c3)[C@@H]2C1	ZINC001190124686	967582236	/nfs/dbraw/zinc/58/22/36/967582236.db2.gz	CJDSUTKIGKFMTD-AZUAARDMSA-N	1	0	356.466	1.865	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3nc(C)c(Cl)c3C)[C@@H]2C1	ZINC001190194189	967601436	/nfs/dbraw/zinc/60/14/36/967601436.db2.gz	OEMMRGISJCVLFF-JKSUJKDBSA-N	1	0	366.893	1.889	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCOc3ccccc3)[C@@H]2C1	ZINC001190157971	967611310	/nfs/dbraw/zinc/61/13/10/967611310.db2.gz	UNVIGTGKHQLMNY-ZIFCJYIRSA-N	1	0	371.481	1.679	20	30		FDEDRO
CC[C@]1(c2ccc(NC(=O)C#CC3CC[NH2+]CC3)cc2)CCC(=O)NC1=O	ZINC000852808401	967622167	/nfs/dbraw/zinc/62/21/67/967622167.db2.gz	VGZGDZCJYSGNEP-OAQYLSRUSA-N	1	0	367.449	1.713	20	30		FDEDRO
CC[C@@H]([NH2+]C)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1	ZINC000852816732	967628567	/nfs/dbraw/zinc/62/85/67/967628567.db2.gz	DVMGYWWXUSYLMW-FJAMSSDQSA-N	1	0	352.460	1.436	20	30		FDEDRO
N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cc(Br)cc(N2CCCC2)c1	ZINC000852828146	967638748	/nfs/dbraw/zinc/63/87/48/967638748.db2.gz	UEFJETFMECVYQJ-IUODEOHRSA-N	1	0	363.259	1.891	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1	ZINC000852829913	967640493	/nfs/dbraw/zinc/64/04/93/967640493.db2.gz	DPXUREAKAIBHTN-UHFFFAOYSA-N	1	0	364.449	1.455	20	30		FDEDRO
Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C#CC3CC[NH2+]CC3)C2)nc1	ZINC000852860631	967666245	/nfs/dbraw/zinc/66/62/45/967666245.db2.gz	TVOAEYVVDMPTNM-KRWDZBQOSA-N	1	0	354.454	1.570	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NCCN1CCN(c2ccc(F)cc2)CC1	ZINC000852872280	967678991	/nfs/dbraw/zinc/67/89/91/967678991.db2.gz	DAHHIXPAPSKRLZ-UHFFFAOYSA-N	1	0	358.461	1.067	20	30		FDEDRO
C[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)N1CCN(c2ccccc2)CC1	ZINC000852873489	967680381	/nfs/dbraw/zinc/68/03/81/967680381.db2.gz	WKPTWRUMKAGFGX-SFHVURJKSA-N	1	0	354.498	1.316	20	30		FDEDRO
O=C(CC#Cc1ccccc1)N1CC[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]21	ZINC001190288992	967739650	/nfs/dbraw/zinc/73/96/50/967739650.db2.gz	AJKHFYWEKKRYHP-VQTJNVASSA-N	1	0	365.477	1.583	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCC(c2nccc(N3CCOCC3)n2)CC1	ZINC000852996785	967765213	/nfs/dbraw/zinc/76/52/13/967765213.db2.gz	XZTLCLPOVOXKGC-UHFFFAOYSA-N	1	0	359.474	1.137	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](CCOCC(F)(F)F)C[C@H]21	ZINC001190458737	967883859	/nfs/dbraw/zinc/88/38/59/967883859.db2.gz	KUUKTOROMNUXHG-MELADBBJSA-N	1	0	350.381	1.689	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)COCCc3ccccc3)[C@@H]2C1	ZINC001190501846	967904612	/nfs/dbraw/zinc/90/46/12/967904612.db2.gz	ZUYHVGJZXOYBRR-VQTJNVASSA-N	1	0	358.482	1.981	20	30		FDEDRO
C=C(Br)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2	ZINC001110662521	967938190	/nfs/dbraw/zinc/93/81/90/967938190.db2.gz	NZVHRQXDZVDDGB-KBXIAJHMSA-N	1	0	356.308	1.957	20	30		FDEDRO
C#CC[C@H]([NH2+]CC(=O)NCc1ccc(OCC(N)=O)cc1)c1ccccc1	ZINC000775400142	967979537	/nfs/dbraw/zinc/97/95/37/967979537.db2.gz	MADGWLKXUUBROO-IBGZPJMESA-N	1	0	365.433	1.521	20	30		FDEDRO
CC[NH+](CC)CCN1CCN(S(=O)(=O)c2cc(C#N)ccc2F)CC1	ZINC001190610922	967983269	/nfs/dbraw/zinc/98/32/69/967983269.db2.gz	GQJAQYSOHOANBC-UHFFFAOYSA-N	1	0	368.478	1.345	20	30		FDEDRO
C[C@H]1CN(c2cc(Br)cnc2C#N)CC[N@@H+]1CC(C)(C)O	ZINC000853509688	968064923	/nfs/dbraw/zinc/06/49/23/968064923.db2.gz	AGWDYGKLBPKTQP-NSHDSACASA-N	1	0	353.264	1.997	20	30		FDEDRO
C[C@@H](C#N)N(CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O)C1CC1	ZINC000853546415	968103490	/nfs/dbraw/zinc/10/34/90/968103490.db2.gz	FDBXENDKDVQVJT-JCGIZDLHSA-N	1	0	352.438	1.437	20	30		FDEDRO
C#CCOCCN(C1CC1)S(=O)(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000853679520	968244475	/nfs/dbraw/zinc/24/44/75/968244475.db2.gz	ARLZYZITPWDAJP-LJQANCHMSA-N	1	0	362.495	1.705	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCCC2N=NC(=S)N2C2CC2)CC1	ZINC000853689586	968252060	/nfs/dbraw/zinc/25/20/60/968252060.db2.gz	BVPVHKCFIANFNQ-UHFFFAOYSA-N	1	0	364.519	1.784	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@@H](C)c2cccc(-n3cccn3)c2)CC1	ZINC000775431582	968259705	/nfs/dbraw/zinc/25/97/05/968259705.db2.gz	VYHKYKNIFGVERB-KRWDZBQOSA-N	1	0	351.454	1.300	20	30		FDEDRO
N#CCSCC(=O)N[C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@H]1O	ZINC001191156909	968304145	/nfs/dbraw/zinc/30/41/45/968304145.db2.gz	UYWQFZVZQXRILS-HZPDHXFCSA-N	1	0	356.451	1.153	20	30		FDEDRO
C#CCNC(=O)c1ccc(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)nc1	ZINC000853796574	968326909	/nfs/dbraw/zinc/32/69/09/968326909.db2.gz	YDXSNABLWVORQX-LJQANCHMSA-N	1	0	364.449	1.623	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncc(C)cc1OC)C2	ZINC001110676637	968558159	/nfs/dbraw/zinc/55/81/59/968558159.db2.gz	KBQJJLUMQYKVFC-JJXSEGSLSA-N	1	0	372.469	1.424	20	30		FDEDRO
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC000854057072	968563497	/nfs/dbraw/zinc/56/34/97/968563497.db2.gz	CPTJLQDEXRLPIN-UYAOXDASSA-N	1	0	355.482	1.862	20	30		FDEDRO
CC(C)OCC(=O)N[C@@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@H]1O	ZINC001191564051	968614040	/nfs/dbraw/zinc/61/40/40/968614040.db2.gz	GFHKSZCRSUDEHZ-IAGOWNOFSA-N	1	0	350.846	1.278	20	30		FDEDRO
COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H](C)CSC)C2)cc1C#N	ZINC001191814367	968765152	/nfs/dbraw/zinc/76/51/52/968765152.db2.gz	DOXRTQISVJJUOG-APHBMKBZSA-N	1	0	363.483	1.227	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)NC(=O)CO3)C2	ZINC001110686500	968929131	/nfs/dbraw/zinc/92/91/31/968929131.db2.gz	ZEPWALFUAUESKN-INMHGKMJSA-N	1	0	371.437	1.555	20	30		FDEDRO
C#CC[C@@H](CO)NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2	ZINC000854543030	968971494	/nfs/dbraw/zinc/97/14/94/968971494.db2.gz	USZLMPHCXFUYOL-INIZCTEOSA-N	1	0	353.466	1.908	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCCCCn2cncn2)C1	ZINC001192427504	969103020	/nfs/dbraw/zinc/10/30/20/969103020.db2.gz	YASTUFGNEWWQRX-KSZLIROESA-N	1	0	361.490	1.572	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCc2ccc3ccccc3c2)C[C@H]1O	ZINC001192539923	969180285	/nfs/dbraw/zinc/18/02/85/969180285.db2.gz	KCXQOFSIKZGTEO-KCZVDYSFSA-N	1	0	368.477	1.871	20	30		FDEDRO
COc1cccc(/C=C\CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)c1	ZINC001192826449	969318236	/nfs/dbraw/zinc/31/82/36/969318236.db2.gz	GCHRQLQHFAQDMD-YERDFKRTSA-N	1	0	354.450	1.673	20	30		FDEDRO
C#C[C@H]([NH2+][C@H](C)CC(=O)N1CCC(C(=O)OCC)CC1)[C@H]1CCCO1	ZINC000775573346	969492286	/nfs/dbraw/zinc/49/22/86/969492286.db2.gz	XXFCNWCSALMQGU-HYVNUMGLSA-N	1	0	350.459	1.337	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3ccn(C)n3)on2)C1	ZINC001193240233	969568156	/nfs/dbraw/zinc/56/81/56/969568156.db2.gz	CQESAXUCXWKSQA-DAXOMENPSA-N	1	0	359.430	1.205	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1CN(CCOc2ccccc2F)C[C@H]1O	ZINC001193345595	969646898	/nfs/dbraw/zinc/64/68/98/969646898.db2.gz	QZMSAPPSGLZUJG-HZPDHXFCSA-N	1	0	350.434	1.968	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nc(C)c(C)[nH]c2=O)C1	ZINC001194031148	969962466	/nfs/dbraw/zinc/96/24/66/969962466.db2.gz	HHUKGLSYKNEUFD-HUUCEWRRSA-N	1	0	350.463	1.132	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)nc3ccnn3c2C)C1	ZINC001194281894	970107100	/nfs/dbraw/zinc/10/71/00/970107100.db2.gz	ARUMGUAKBJJOGN-APHBMKBZSA-N	1	0	357.458	1.476	20	30		FDEDRO
C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000855493736	970417393	/nfs/dbraw/zinc/41/73/93/970417393.db2.gz	IPMJNCVFDQCDMH-OAQYLSRUSA-N	1	0	372.465	1.427	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(N(C)C)c1	ZINC001110461744	970426423	/nfs/dbraw/zinc/42/64/23/970426423.db2.gz	GUXLAMFACJGNMZ-QRVBRYPASA-N	1	0	368.481	1.114	20	30		FDEDRO
CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)C1	ZINC000776819772	970485295	/nfs/dbraw/zinc/48/52/95/970485295.db2.gz	CSVYZQOAEGGCFN-DEYYWGMASA-N	1	0	350.463	1.641	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2[C@@H]2CCOC2)C1	ZINC001195006498	970608615	/nfs/dbraw/zinc/60/86/15/970608615.db2.gz	JUIYGOUVKAJFAU-DJIMGWMZSA-N	1	0	362.474	1.435	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccc(CC)cc1	ZINC001110465895	970668994	/nfs/dbraw/zinc/66/89/94/970668994.db2.gz	YNRJPRDKMMMPTR-AQNXPRMDSA-N	1	0	367.493	1.653	20	30		FDEDRO
C#C[C@H](NCC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)[C@H]1CCCO1	ZINC000775794166	972532582	/nfs/dbraw/zinc/53/25/82/972532582.db2.gz	PVCHUSDYICZLCZ-LEWJYISDSA-N	1	0	369.509	1.800	20	30		FDEDRO
C#C[C@H]([NH2+][C@@H](C)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[C@H]1CCCO1	ZINC000775795798	972551693	/nfs/dbraw/zinc/55/16/93/972551693.db2.gz	ZNRIBPQOKGLBDF-AEGPPILISA-N	1	0	373.409	1.265	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N[C@@H]1CN(CC#Cc2ccccc2Cl)C[C@H]1O	ZINC001198030285	972707258	/nfs/dbraw/zinc/70/72/58/972707258.db2.gz	XMEPMMLDXXTDBA-QZTJIDSGSA-N	1	0	363.889	1.195	20	30		FDEDRO
CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1	ZINC000119411793	972840234	/nfs/dbraw/zinc/84/02/34/972840234.db2.gz	SPLDJWYJUUJUCK-AWEZNQCLSA-N	1	0	362.405	1.609	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1	ZINC000863550889	973007706	/nfs/dbraw/zinc/00/77/06/973007706.db2.gz	CESOKMFEHPVAOT-MOPGFXCFSA-N	1	0	359.470	1.531	20	30		FDEDRO
CC(C)(C)OC(=O)NC/C=C\C[NH2+]C[C@H](O)CC1(C#N)CCOCC1	ZINC000863553461	973010480	/nfs/dbraw/zinc/01/04/80/973010480.db2.gz	CAJFAVAGMSHCLE-FOSCPCJNSA-N	1	0	353.463	1.728	20	30		FDEDRO
COc1ccc(OC)c([C@H](O)C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)c1	ZINC000863559731	973016584	/nfs/dbraw/zinc/01/65/84/973016584.db2.gz	UFYPBYVVCAZEHD-RHSMWYFYSA-N	1	0	364.442	1.398	20	30		FDEDRO
COC(=O)Cc1ccccc1C[NH2+]C[C@@H](O)COc1ccccc1C#N	ZINC000863563064	973018096	/nfs/dbraw/zinc/01/80/96/973018096.db2.gz	NWPMNEUAIJNFSK-GOSISDBHSA-N	1	0	354.406	1.803	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000645161416	1014089596	/nfs/dbraw/zinc/08/95/96/1014089596.db2.gz	PVTMVAXNEXKUFM-FQEVSTJZSA-N	1	0	372.513	1.398	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCc2nc(C(C)C)no2)C1	ZINC001198637420	973340539	/nfs/dbraw/zinc/34/05/39/973340539.db2.gz	BQBYIHBTWIGZQR-HUUCEWRRSA-N	1	0	350.463	1.643	20	30		FDEDRO
C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1	ZINC000119862151	973376209	/nfs/dbraw/zinc/37/62/09/973376209.db2.gz	VMTFGLXDNXSCFU-ZIAGYGMSSA-N	1	0	362.405	1.656	20	30		FDEDRO
C=CC[NH2+][C@@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)c1ccccc1OC	ZINC001198805520	973548524	/nfs/dbraw/zinc/54/85/24/973548524.db2.gz	AQPZYBIHYVPKMW-RIVXBTQJSA-N	1	0	360.454	1.680	20	30		FDEDRO
C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1ccccc1OC	ZINC001198805805	973549222	/nfs/dbraw/zinc/54/92/22/973549222.db2.gz	JXGGVLBQQVNBFJ-ODQAOENWSA-N	1	0	354.450	1.889	20	30		FDEDRO
C=CCC[NH2+][C@H](CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C)c1ccccc1OC	ZINC001198903149	973634692	/nfs/dbraw/zinc/63/46/92/973634692.db2.gz	VSHZNYMRCDGJPN-GVDBMIGSSA-N	1	0	359.470	1.743	20	30		FDEDRO
C=CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)c1ccccc1	ZINC001198870849	973640120	/nfs/dbraw/zinc/64/01/20/973640120.db2.gz	QJJKXXQYHRWNDS-GUDVDZBRSA-N	1	0	354.454	1.404	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC2CCN(C(C)=O)CC2)C1	ZINC001198871002	973640144	/nfs/dbraw/zinc/64/01/44/973640144.db2.gz	TZLJVPMDQLBSJU-ATZDWAIDSA-N	1	0	365.518	1.541	20	30		FDEDRO
CC1(C)CO[C@@H](C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC#Cc3ccccc3)C2)C1	ZINC001198933751	973706306	/nfs/dbraw/zinc/70/63/06/973706306.db2.gz	IEQHBRJKGBSYAD-GUDVDZBRSA-N	1	0	356.466	1.405	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(Cn2cc3c(c(C#N)c2=O)CCC3)CC1	ZINC000794708297	973758626	/nfs/dbraw/zinc/75/86/26/973758626.db2.gz	ZNBQVHPNKNBXNR-UHFFFAOYSA-N	1	0	365.437	1.392	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C(=O)CCC)C1	ZINC001198983439	973781235	/nfs/dbraw/zinc/78/12/35/973781235.db2.gz	WAJGFZQSTRLUGH-IXDOHACOSA-N	1	0	351.491	1.295	20	30		FDEDRO
O=C(CCC[NH+]1CCCC1)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O	ZINC001199023849	973804234	/nfs/dbraw/zinc/80/42/34/973804234.db2.gz	QFAWLAGCXAUNPA-WOJBJXKFSA-N	1	0	355.482	1.075	20	30		FDEDRO
COCCn1ncc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1C	ZINC000864910061	973940580	/nfs/dbraw/zinc/94/05/80/973940580.db2.gz	CYVBMRRCINHDJF-UHFFFAOYSA-N	1	0	369.469	1.914	20	30		FDEDRO
N#CC1(NC(=O)c2ccc(O)c(=O)[nH]2)CC[NH+](Cc2ccccc2)CC1	ZINC001199200965	974010812	/nfs/dbraw/zinc/01/08/12/974010812.db2.gz	JSLIRABTMNQXRC-UHFFFAOYSA-N	1	0	352.394	1.781	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1coc2c1C(=O)NCC(C)(C)C2	ZINC000865013984	974015249	/nfs/dbraw/zinc/01/52/49/974015249.db2.gz	YEIKILATKMXCET-UHFFFAOYSA-N	1	0	360.458	1.899	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1	ZINC001199270413	974104503	/nfs/dbraw/zinc/10/45/03/974104503.db2.gz	HKFGHKXRUPRDEA-APHBMKBZSA-N	1	0	359.430	1.979	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@@H+](CCc2ccc(Cl)cc2)C[C@H]1O	ZINC001199307338	974147351	/nfs/dbraw/zinc/14/73/51/974147351.db2.gz	IWSNFLXMBYRBGP-IAGOWNOFSA-N	1	0	352.862	1.637	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CCOC(=O)CNC(=O)C(C)(C)C)CC1	ZINC000865193767	974174815	/nfs/dbraw/zinc/17/48/15/974174815.db2.gz	OUHSKGXFYFDUTE-UHFFFAOYSA-N	1	0	367.490	1.239	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCC(NC(C)=O)CC2)C1	ZINC001199459978	974276035	/nfs/dbraw/zinc/27/60/35/974276035.db2.gz	YRGZGPKDRHKDMA-CSODTCANSA-N	1	0	367.534	1.813	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](OC(C)C)c2ccccc2)C1	ZINC001199663761	974449074	/nfs/dbraw/zinc/44/90/74/974449074.db2.gz	SQAUISZXLMIOIH-GUDVDZBRSA-N	1	0	362.470	1.517	20	30		FDEDRO
Cc1cccc(N(C(=O)c2cnc(C#N)cn2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1	ZINC001199664306	974449836	/nfs/dbraw/zinc/44/98/36/974449836.db2.gz	DFXXSOZDVZPODN-YLJYHZDGSA-N	1	0	363.421	1.825	20	30		FDEDRO
C=CCOc1c(Br)cc(C[NH2+]C[C@H](O)[C@@H](C)O)cc1OC	ZINC000865740704	974452992	/nfs/dbraw/zinc/45/29/92/974452992.db2.gz	HYKPWBJLRKOHQH-MFKMUULPSA-N	1	0	360.248	1.854	20	30		FDEDRO
C=CCOc1ccc(C[NH2+]C[C@@]23COCCN2C(=O)COC3)cc1Cl	ZINC000865798276	974500200	/nfs/dbraw/zinc/50/02/00/974500200.db2.gz	ROHGWTUTGAVFBW-SFHVURJKSA-N	1	0	366.845	1.622	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOc1cccc(OC)c1	ZINC001110547577	974673012	/nfs/dbraw/zinc/67/30/12/974673012.db2.gz	OJHJFVMYXYSVPK-SMOSDQRPSA-N	1	0	372.465	1.834	20	30		FDEDRO
C=CCNC(=S)N1CCC[C@@H]([NH+]2CC(CNC(=O)OC(C)(C)C)C2)C1	ZINC001200289724	974744825	/nfs/dbraw/zinc/74/48/25/974744825.db2.gz	LPDQVFKBHSRKCY-OAHLLOKOSA-N	1	0	368.547	1.968	20	30		FDEDRO
N#Cc1cnn(C2CCOCC2)c1NC(=S)NCC[NH+]1CCCCC1	ZINC001200418958	974763780	/nfs/dbraw/zinc/76/37/80/974763780.db2.gz	UHNSVHCYPIHZQA-UHFFFAOYSA-N	1	0	362.503	1.879	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCCCOC)C1	ZINC001200528440	974807378	/nfs/dbraw/zinc/80/73/78/974807378.db2.gz	KVTKOCBKYOQVNF-KURKYZTESA-N	1	0	354.491	1.601	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)C(=O)NCC(C)C)CC1	ZINC001200635736	974851325	/nfs/dbraw/zinc/85/13/25/974851325.db2.gz	CEIKUROVYCJMAN-NXHRZFHOSA-N	1	0	365.518	1.709	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)C(=O)N(C)C(C)C)CC1	ZINC001200636166	974852642	/nfs/dbraw/zinc/85/26/42/974852642.db2.gz	GEQIKEIZFSLSAX-NXHRZFHOSA-N	1	0	365.518	1.804	20	30		FDEDRO
C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1)NC(N)=O	ZINC001110557390	974919095	/nfs/dbraw/zinc/91/90/95/974919095.db2.gz	OYTBUMWCVQDKIZ-YYQUZTFQSA-N	1	0	355.442	1.227	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1)[C@H]1CCCO1	ZINC000776229459	975210803	/nfs/dbraw/zinc/21/08/03/975210803.db2.gz	WNKCTIPOXYGTSD-RTBURBONSA-N	1	0	362.518	1.367	20	30		FDEDRO
C#C[C@@H]1CCCN(C(=O)NCc2ccc(N3CC[NH+](CC)CC3)nc2)C1	ZINC000847283172	975418055	/nfs/dbraw/zinc/41/80/55/975418055.db2.gz	NCZPXJLZZOMFIL-QGZVFWFLSA-N	1	0	355.486	1.778	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000847605955	975900563	/nfs/dbraw/zinc/90/05/63/975900563.db2.gz	LGOBVPNOFXWBEU-DOTOQJQBSA-N	1	0	373.428	1.909	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)c1	ZINC000847617262	975923030	/nfs/dbraw/zinc/92/30/30/975923030.db2.gz	ZETAVSIQFYHYJL-SFHVURJKSA-N	1	0	355.438	1.320	20	30		FDEDRO
C#CCOc1ccccc1OS(=O)(=O)CCCN1CC[NH+](C)CC1	ZINC000866750231	975991366	/nfs/dbraw/zinc/99/13/66/975991366.db2.gz	OLACAHFAZWDYMG-UHFFFAOYSA-N	1	0	352.456	1.045	20	30		FDEDRO
C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC[C@@H]1CC[N@H+](C)C1	ZINC000847823181	976070240	/nfs/dbraw/zinc/07/02/40/976070240.db2.gz	DFEUDVNTUIIZEM-KBPBESRZSA-N	1	0	365.455	1.110	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC000958169302	1014322799	/nfs/dbraw/zinc/32/27/99/1014322799.db2.gz	MSKQXPNUTPIWIG-RHSMWYFYSA-N	1	0	357.458	1.195	20	30		FDEDRO
C=CCCn1cc(CO[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)nn1	ZINC000848509993	976867455	/nfs/dbraw/zinc/86/74/55/976867455.db2.gz	NPFLVONROYAVMB-UHFFFAOYSA-N	1	0	370.457	1.652	20	30		FDEDRO
C[NH+]1CCN(C2CCN(S(=O)(=O)CC3(C#N)CCCCC3)CC2)CC1	ZINC000867817339	976931715	/nfs/dbraw/zinc/93/17/15/976931715.db2.gz	YXMPFAVRNNGZLX-UHFFFAOYSA-N	1	0	368.547	1.502	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCN(C(=O)c2ccccc2)CC1	ZINC000867946050	977125046	/nfs/dbraw/zinc/12/50/46/977125046.db2.gz	LYSNMUMMQHUTME-FQEVSTJZSA-N	1	0	374.444	1.730	20	30		FDEDRO
COc1ccccc1OCCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000867947774	977128540	/nfs/dbraw/zinc/12/85/40/977128540.db2.gz	VHNFCTAJDCWUQV-IBGZPJMESA-N	1	0	351.406	1.949	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCCNC(=O)CC1CCCCC1	ZINC000867947716	977128682	/nfs/dbraw/zinc/12/86/82/977128682.db2.gz	UMOYNRAINGBZAM-FQEVSTJZSA-N	1	0	368.481	1.948	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)N1CCOCC1	ZINC000867963551	977148187	/nfs/dbraw/zinc/14/81/87/977148187.db2.gz	XEZWZFSPICMMPX-MOPGFXCFSA-N	1	0	356.470	1.218	20	30		FDEDRO
COC(=O)CCN(C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)C1CCOCC1	ZINC000867974140	977158436	/nfs/dbraw/zinc/15/84/36/977158436.db2.gz	QBZHVTSFNKQBQK-IBGZPJMESA-N	1	0	371.437	1.316	20	30		FDEDRO
C[C@H]1CN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CCN1CC(F)(F)F	ZINC000867977481	977161200	/nfs/dbraw/zinc/16/12/00/977161200.db2.gz	INGJUBFUZYOCBT-BLLLJJGKSA-N	1	0	366.387	1.840	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000848929278	977241603	/nfs/dbraw/zinc/24/16/03/977241603.db2.gz	DGVOYALIMJPJRX-KRWDZBQOSA-N	1	0	351.491	1.609	20	30		FDEDRO
C[NH+]=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)NC1CC1	ZINC000849046925	977292697	/nfs/dbraw/zinc/29/26/97/977292697.db2.gz	FFDNVTWTQIMYCM-UHFFFAOYSA-N	1	0	350.488	1.689	20	30		FDEDRO
CCN(CCCNC(NCCN1CCOCC1)=[NH+]C)C(=O)OC(C)(C)C	ZINC000849070103	977301389	/nfs/dbraw/zinc/30/13/89/977301389.db2.gz	GSVDLBFNYPMAML-UHFFFAOYSA-N	1	0	371.526	1.131	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCc3cccc4c3OCO4)=[NH+]C[C@@H]2C1	ZINC000849087180	977308066	/nfs/dbraw/zinc/30/80/66/977308066.db2.gz	DTMIACLBOJOECW-CQSZACIVSA-N	1	0	374.441	1.796	20	30		FDEDRO
C[NH+]=C(NCc1ccco1)NC[C@H]1CN(C(=O)OC(C)(C)C)CCCO1	ZINC000849109876	977320409	/nfs/dbraw/zinc/32/04/09/977320409.db2.gz	KHYBXYBBCGBSQD-HNNXBMFYSA-N	1	0	366.462	1.971	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)cc1	ZINC000868216912	977353185	/nfs/dbraw/zinc/35/31/85/977353185.db2.gz	MAJHBYIQTVYZPU-RTBURBONSA-N	1	0	369.469	1.253	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)NC1CCN(c2ccccc2C#N)CC1	ZINC000868236498	977373376	/nfs/dbraw/zinc/37/33/76/977373376.db2.gz	USAKVQBBRBIGCK-GOSISDBHSA-N	1	0	370.501	1.072	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1	ZINC000108609940	977607073	/nfs/dbraw/zinc/60/70/73/977607073.db2.gz	OUAZYCNEZIXLSX-UHFFFAOYSA-N	1	0	369.465	1.972	20	30		FDEDRO
C#CCCN1CCN(C(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)CC1	ZINC000849516230	977709190	/nfs/dbraw/zinc/70/91/90/977709190.db2.gz	HCAOPXRALPBAOD-VQTJNVASSA-N	1	0	371.529	1.402	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)CC1	ZINC000849514816	977709248	/nfs/dbraw/zinc/70/92/48/977709248.db2.gz	AUIHICDCHIPNGZ-FHWLQOOXSA-N	1	0	372.517	1.148	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1	ZINC000868582118	977790500	/nfs/dbraw/zinc/79/05/00/977790500.db2.gz	SKJCJQJXKGPPCC-UHFFFAOYSA-N	1	0	368.231	1.971	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(N(CC)C(=O)[C@@H]2CCC[N@@H+]2C)C1	ZINC000967839433	1014438101	/nfs/dbraw/zinc/43/81/01/1014438101.db2.gz	HUJHJJHEBOGJJZ-BZSNNMDCSA-N	1	0	363.502	1.511	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCCc2ccc(C#N)cc2)CC1=O	ZINC000849766956	977973312	/nfs/dbraw/zinc/97/33/12/977973312.db2.gz	VXAZMPNWSBAPRV-RBUKOAKNSA-N	1	0	369.465	1.977	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1	ZINC000850504890	978405534	/nfs/dbraw/zinc/40/55/34/978405534.db2.gz	HNNDUFGXUXSGRD-OAHLLOKOSA-N	1	0	357.454	1.874	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1	ZINC000850504985	978405740	/nfs/dbraw/zinc/40/57/40/978405740.db2.gz	JMTWVLHZKGIODV-OAHLLOKOSA-N	1	0	357.454	1.874	20	30		FDEDRO
C[NH2+]CCCC(=O)N1CCC(NC(=O)Nc2cccc(OCC#N)c2)CC1	ZINC000850726876	978650990	/nfs/dbraw/zinc/65/09/90/978650990.db2.gz	HAGCFDZALBMVJI-UHFFFAOYSA-N	1	0	373.457	1.701	20	30		FDEDRO
N#C[C@H]1CN(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CCN1C1CC1	ZINC000850760301	978663455	/nfs/dbraw/zinc/66/34/55/978663455.db2.gz	XHMYYHIAXGUCSO-ROUUACIJSA-N	1	0	355.442	1.552	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@H](CC)c2ccc(OC)c(OC)c2)CC1	ZINC000796253156	1014529253	/nfs/dbraw/zinc/52/92/53/1014529253.db2.gz	DXLVDGXLSKUIHA-QGZVFWFLSA-N	1	0	359.470	1.522	20	30		FDEDRO
C#CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CCN(c2nccc(C)n2)CC1	ZINC001110631022	978900851	/nfs/dbraw/zinc/90/08/51/978900851.db2.gz	FORGVCNNWPDNRP-RBUKOAKNSA-N	1	0	369.513	1.946	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1	ZINC000968005048	1014546368	/nfs/dbraw/zinc/54/63/68/1014546368.db2.gz	FVCMCYUHEPMNEV-SQNIBIBYSA-N	1	0	363.502	1.511	20	30		FDEDRO
CC(=O)N1C[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@@H]2C1	ZINC000880310663	979088060	/nfs/dbraw/zinc/08/80/60/979088060.db2.gz	GNKJWPIHPPOHEV-GASCZTMLSA-N	1	0	360.845	1.950	20	30		FDEDRO
C#CCC1(O)CC[NH+](CC(=O)N(C)Cc2ccc(OC)c(OC)c2)CC1	ZINC000880479308	979219294	/nfs/dbraw/zinc/21/92/94/979219294.db2.gz	SJGZKVVYIDERHP-UHFFFAOYSA-N	1	0	360.454	1.512	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1	ZINC000968010879	1014565359	/nfs/dbraw/zinc/56/53/59/1014565359.db2.gz	VEFZUJATPNJPOJ-FGTMMUONSA-N	1	0	363.502	1.367	20	30		FDEDRO
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H]([NH+]2CCOCC2)CC1	ZINC000852009904	979271275	/nfs/dbraw/zinc/27/12/75/979271275.db2.gz	QLRCPPDUSWMDCJ-RTBURBONSA-N	1	0	357.454	1.959	20	30		FDEDRO
COc1ccc(C[N@H+](CCO)C[C@@H](O)COc2ccccc2C#N)cc1	ZINC000880571800	979316162	/nfs/dbraw/zinc/31/61/62/979316162.db2.gz	BZDYHILMHGFQPM-GOSISDBHSA-N	1	0	356.422	1.801	20	30		FDEDRO
C#C[C@](C)(CC)[NH2+]CC(=O)Nc1sc(C(N)=O)c(C)c1C(=O)OCC	ZINC000852100154	979350128	/nfs/dbraw/zinc/35/01/28/979350128.db2.gz	FSFWEDJSDBSEMZ-QGZVFWFLSA-N	1	0	365.455	1.662	20	30		FDEDRO
C#C[C@](C)(CC)[NH2+]CC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1	ZINC000852100599	979351383	/nfs/dbraw/zinc/35/13/83/979351383.db2.gz	IMOIXNWXBZQTNL-QGZVFWFLSA-N	1	0	367.471	1.276	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC(N(CC)C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cn1	ZINC000968014294	1014573745	/nfs/dbraw/zinc/57/37/45/1014573745.db2.gz	UNKCUIBHRMSFJN-RBUKOAKNSA-N	1	0	368.481	1.466	20	30		FDEDRO
COC(=O)[C@H]1CN(C(=O)Nc2cc(C#N)c(F)cc2F)CC[N@H+](C)C1	ZINC000880711935	979404645	/nfs/dbraw/zinc/40/46/45/979404645.db2.gz	VWMFGPAINKTKOP-LLVKDONJSA-N	1	0	352.341	1.405	20	30		FDEDRO
COC[C@H]([NH3+])Cc1cn(CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)nn1	ZINC000880982728	979561086	/nfs/dbraw/zinc/56/10/86/979561086.db2.gz	GDVUJDGXCDRUHN-LEBHLANCSA-N	1	0	369.469	1.675	20	30		FDEDRO
C#C[C@@H]1COCCN1C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000881128769	979700875	/nfs/dbraw/zinc/70/08/75/979700875.db2.gz	ZWHFHPJOAREQHK-MJGOQNOKSA-N	1	0	354.454	1.837	20	30		FDEDRO
C#C[C@@H]1COCCN1C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000881128768	979701236	/nfs/dbraw/zinc/70/12/36/979701236.db2.gz	ZWHFHPJOAREQHK-IEBWSBKVSA-N	1	0	354.454	1.837	20	30		FDEDRO
N#CCOc1ccc(Cl)cc1Cn1cc(CN2CCC[C@@H]2CO)nn1	ZINC000881303043	979820738	/nfs/dbraw/zinc/82/07/38/979820738.db2.gz	QEXIVQFFELBSTE-MRXNPFEDSA-N	1	0	361.833	1.839	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)Cc3ccccc3CC#N)cn2)CC1	ZINC000776978239	981693663	/nfs/dbraw/zinc/69/36/63/981693663.db2.gz	QBLMKVGGXVEFOW-UHFFFAOYSA-N	1	0	363.465	1.758	20	30		FDEDRO
C=CCNC(=O)c1ccc(N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)nc1	ZINC000882815206	981707063	/nfs/dbraw/zinc/70/70/63/981707063.db2.gz	CCRNGTPZTMOYBR-UHFFFAOYSA-N	1	0	371.485	1.308	20	30		FDEDRO
C[N@H+](CCCn1ccnc1)CN1CC(=O)N(Cc2ccccc2C#N)C1=O	ZINC000130636400	981851303	/nfs/dbraw/zinc/85/13/03/981851303.db2.gz	DMMUESXJCRGOOW-UHFFFAOYSA-N	1	0	366.425	1.499	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1	ZINC000858144786	981860975	/nfs/dbraw/zinc/86/09/75/981860975.db2.gz	UFIVBMHBYQBLDH-SFHVURJKSA-N	1	0	373.501	1.451	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(OCC#N)cc1	ZINC000858488963	982074792	/nfs/dbraw/zinc/07/47/92/982074792.db2.gz	OUGXLUXCPHHQQU-GOEBONIOSA-N	1	0	363.425	1.956	20	30		FDEDRO
C=C(C)C[C@@H](CO)NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1	ZINC000883468534	982172478	/nfs/dbraw/zinc/17/24/78/982172478.db2.gz	VKARVOTWSQBTHX-KRWDZBQOSA-N	1	0	352.523	1.563	20	30		FDEDRO
N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1cc2n(n1)CCN(Cc1ccccc1)C2	ZINC000883591354	982289671	/nfs/dbraw/zinc/28/96/71/982289671.db2.gz	ABMBCFWPLSEYEY-WBVHZDCISA-N	1	0	365.441	1.132	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1	ZINC000858870877	982343642	/nfs/dbraw/zinc/34/36/42/982343642.db2.gz	RHXUPRKWMLDJMZ-SFHVURJKSA-N	1	0	354.454	1.923	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1	ZINC000883670634	982366334	/nfs/dbraw/zinc/36/63/34/982366334.db2.gz	OHCZFPVPCQMUTI-JQHSSLGASA-N	1	0	351.491	1.910	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(C)(C)c1ccc(C#N)cc1	ZINC000859079274	982511107	/nfs/dbraw/zinc/51/11/07/982511107.db2.gz	PVIXBSCWTHDNEP-GOSISDBHSA-N	1	0	370.497	1.895	20	30		FDEDRO
COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2C#N)C1	ZINC000859258917	982653380	/nfs/dbraw/zinc/65/33/80/982653380.db2.gz	XHLBQAWACUSIRC-PVAVHDDUSA-N	1	0	361.442	1.754	20	30		FDEDRO
N#C[C@@H]1CN(S(=O)(=O)NC2CC[NH+](CC3CCCCC3)CC2)CCO1	ZINC000800022056	982711781	/nfs/dbraw/zinc/71/17/81/982711781.db2.gz	HJTSSIHXUOVSLM-QGZVFWFLSA-N	1	0	370.519	1.090	20	30		FDEDRO
CNC(=S)C(C(=O)c1cccc(C(=O)OC)c1)[n+]1ccc(N(C)C)cc1	ZINC000133501563	982712221	/nfs/dbraw/zinc/71/22/21/982712221.db2.gz	PNZNKJGIDAJJMX-UHFFFAOYSA-O	1	0	372.470	1.985	20	30		FDEDRO
CCN(CC(=O)Nc1ccccc1OC)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884053051	982770116	/nfs/dbraw/zinc/77/01/16/982770116.db2.gz	KBHBNOBEWKBRFI-CHWWFWEZSA-N	1	0	370.453	1.622	20	30		FDEDRO
C#CCN(C(=O)N[C@@H](C)C[NH+](C)C)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000889041568	982778883	/nfs/dbraw/zinc/77/88/83/982778883.db2.gz	IOYYMWWHPLNTOG-HNNXBMFYSA-N	1	0	366.506	1.981	20	30		FDEDRO
C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884058234	982786127	/nfs/dbraw/zinc/78/61/27/982786127.db2.gz	FEQLCOTYPWFUOT-IKNQFMJRSA-N	1	0	364.453	1.926	20	30		FDEDRO
COc1cc(CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc(OC)c1OC	ZINC000884059323	982788213	/nfs/dbraw/zinc/78/82/13/982788213.db2.gz	NQUUKUQABKWCKB-BIWSTMPVSA-N	1	0	359.426	1.468	20	30		FDEDRO
Cc1ccc(C(=O)N2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CC2)cc1	ZINC000884070453	982818038	/nfs/dbraw/zinc/81/80/38/982818038.db2.gz	MBYDNQKVTLWBRC-WBTXTPOCSA-N	1	0	366.465	1.419	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccccc1CN1CCCC1=O)C2	ZINC000884076183	982826481	/nfs/dbraw/zinc/82/64/81/982826481.db2.gz	UGDCBJHODJBMOS-IDYZSHNDSA-N	1	0	366.465	1.565	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NCc2ccn(-c3ccc(OC)cc3)n2)C1	ZINC000884150471	982929073	/nfs/dbraw/zinc/92/90/73/982929073.db2.gz	MOQQQIXIEUMDTG-QGZVFWFLSA-N	1	0	367.453	1.778	20	30		FDEDRO
Cc1ccc(N2CC[C@@H](NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)C2=O)cc1	ZINC000884153143	982932028	/nfs/dbraw/zinc/93/20/28/982932028.db2.gz	DNBWKTSUTBSQGR-WAGVIYRNSA-N	1	0	352.438	1.356	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1	ZINC000884157928	982935133	/nfs/dbraw/zinc/93/51/33/982935133.db2.gz	NIAZPTDBAJBGFE-MRXNPFEDSA-N	1	0	351.491	1.600	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2[C@@H]3CC[C@H]2C[C@](O)(c2ccnn2C)C3)CC1	ZINC000884161270	982937482	/nfs/dbraw/zinc/93/74/82/982937482.db2.gz	AWLZZNJNLYPJOL-YRWFTTLQSA-N	1	0	373.501	1.595	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000884194946	982971030	/nfs/dbraw/zinc/97/10/30/982971030.db2.gz	WUECYNWZWKGQFW-ROUUACIJSA-N	1	0	359.470	1.556	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1nccn1CCc1ccccc1)C2	ZINC000884230877	983004834	/nfs/dbraw/zinc/00/48/34/983004834.db2.gz	CGGIDKGXBNBKRF-WBTXTPOCSA-N	1	0	363.465	1.881	20	30		FDEDRO
Cc1ccc(CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c(N2CCOCC2)c1	ZINC000884230704	983005371	/nfs/dbraw/zinc/00/53/71/983005371.db2.gz	YBWXXQWBFVRWNN-IDYZSHNDSA-N	1	0	368.481	1.587	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH+]1CCC(Cc2nc(C3CCOCC3)no2)CC1	ZINC000859771229	983009661	/nfs/dbraw/zinc/00/96/61/983009661.db2.gz	NAADDBLPJHQGJG-AWEZNQCLSA-N	1	0	360.458	1.356	20	30		FDEDRO
N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cc2cccc(C(F)(F)F)c2[nH]c1=O	ZINC000884250587	983027325	/nfs/dbraw/zinc/02/73/25/983027325.db2.gz	JABOBUNAGQPZHM-CABZTGNLSA-N	1	0	350.300	1.801	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCN(Cc3cccc(F)c3)CC1)C2	ZINC000884307083	983071434	/nfs/dbraw/zinc/07/14/34/983071434.db2.gz	YAKGTFCDPRFIFA-GNZRSQJKSA-N	1	0	356.445	1.609	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCCN(c3ccccc3F)C1=O)C2	ZINC000884321711	983083127	/nfs/dbraw/zinc/08/31/27/983083127.db2.gz	WFMBREYRBVGRDL-IVMDAKODSA-N	1	0	370.428	1.577	20	30		FDEDRO
CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)OCC(=O)NCC#N	ZINC000859955512	983120150	/nfs/dbraw/zinc/12/01/50/983120150.db2.gz	QZGFPAPBCIDLJH-QZTJIDSGSA-N	1	0	357.454	1.964	20	30		FDEDRO
COC(=O)[C@@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[C@@H]2CCCC[C@H]12	ZINC000884405345	983141068	/nfs/dbraw/zinc/14/10/68/983141068.db2.gz	NRQFGVCNEKPOHP-ZAZJVJCNSA-N	1	0	359.470	1.706	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1C[C@H](S(=O)(=O)c3ccccc3)C1)C2	ZINC000884466820	983172044	/nfs/dbraw/zinc/17/20/44/983172044.db2.gz	IDJPQRPIZUGCRE-XPSUUDRWSA-N	1	0	373.478	1.247	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)c1ccc(C#N)cc1	ZINC000884541443	983232969	/nfs/dbraw/zinc/23/29/69/983232969.db2.gz	DYWIQWUXZPKYJH-LIRRHRJNSA-N	1	0	362.433	1.566	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)c1cccc(C#N)c1	ZINC000884617779	983279741	/nfs/dbraw/zinc/27/97/41/983279741.db2.gz	SIEBIWDWPGFEBN-GDLCADMTSA-N	1	0	368.359	1.331	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)/C=C/c1ccc(S(C)(=O)=O)o1	ZINC000860610867	983457947	/nfs/dbraw/zinc/45/79/47/983457947.db2.gz	CCFISCAEXUDOGS-CFRMROPGSA-N	1	0	353.440	1.973	20	30		FDEDRO
CCc1cc(Cl)cnc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000861820082	983938735	/nfs/dbraw/zinc/93/87/35/983938735.db2.gz	WALSDADUTFEGBK-UHFFFAOYSA-N	1	0	365.865	1.930	20	30		FDEDRO
C#CC[C@]1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)CCCN1C(=O)OC(C)(C)C	ZINC000861911351	983989349	/nfs/dbraw/zinc/98/93/49/983989349.db2.gz	CUWLMBVPOVHSHO-NARAOEGZSA-N	1	0	361.486	1.798	20	30		FDEDRO
N#CCOc1ccc(CC(=O)N2CCC([N@@H+]3CCCOCC3)CC2)cc1	ZINC000861985233	984022870	/nfs/dbraw/zinc/02/28/70/984022870.db2.gz	RKPSSSALABCFMO-UHFFFAOYSA-N	1	0	357.454	1.845	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C	ZINC000862194764	984231996	/nfs/dbraw/zinc/23/19/96/984231996.db2.gz	HPUMLHOTVXTXAO-XJKSGUPXSA-N	1	0	359.426	1.165	20	30		FDEDRO
CC(C)(C)OC(=O)N1[C@H](C[NH2+]CCn2cnc(C#N)n2)COC1(C)C	ZINC000862365364	984360843	/nfs/dbraw/zinc/36/08/43/984360843.db2.gz	QCQJRRVEEUYDRI-GFCCVEGCSA-N	1	0	350.423	1.111	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NCc1cccc2c1CC[NH2+]C2	ZINC000884839142	984863456	/nfs/dbraw/zinc/86/34/56/984863456.db2.gz	ZNFWAQPBKMEFCL-UHFFFAOYSA-N	1	0	362.433	1.479	20	30		FDEDRO
C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2ccc(C#N)cc2C1	ZINC000869199071	984939773	/nfs/dbraw/zinc/93/97/73/984939773.db2.gz	HTPYCGLOTQSKIV-INIZCTEOSA-N	1	0	358.442	1.855	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1	ZINC000884894466	984940534	/nfs/dbraw/zinc/94/05/34/984940534.db2.gz	SICXJOCJFPWTOA-LJQANCHMSA-N	1	0	364.449	1.593	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(CCC#N)cc2)CCCO1	ZINC000885141388	985200053	/nfs/dbraw/zinc/20/00/53/985200053.db2.gz	MWDYQLZCOUADPU-INIZCTEOSA-N	1	0	365.499	1.922	20	30		FDEDRO
C=CCCC[C@H](NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)c1ccccc1	ZINC000885218427	985249676	/nfs/dbraw/zinc/24/96/76/985249676.db2.gz	VLXBAVZUJPWAAD-ROUUACIJSA-N	1	0	359.470	1.776	20	30		FDEDRO
C=CCCC[C@H](NC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)c1ccccc1	ZINC000885218554	985250738	/nfs/dbraw/zinc/25/07/38/985250738.db2.gz	XRMHVCBEBKSRRZ-SZMVWBNQSA-N	1	0	359.470	1.775	20	30		FDEDRO
C[C@@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)Cc1cccc(C#N)c1	ZINC000885845810	985692894	/nfs/dbraw/zinc/69/28/94/985692894.db2.gz	TUZDAPNFVSJOQC-OAHLLOKOSA-N	1	0	356.451	1.994	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH2+]CCc2nnc3c(=O)n(C)ccn23)cc1	ZINC000886283737	986020948	/nfs/dbraw/zinc/02/09/48/986020948.db2.gz	FVKIMPBLTNKWOT-CYBMUJFWSA-N	1	0	352.398	1.051	20	30		FDEDRO
CN(C[C@H](O)C[N@H+](C)C[C@@H](O)CC1(C#N)CCC1)C(=O)OC(C)(C)C	ZINC000886304199	986051442	/nfs/dbraw/zinc/05/14/42/986051442.db2.gz	QFCUCBMUJOSNIR-LSDHHAIUSA-N	1	0	355.479	1.591	20	30		FDEDRO
CO[C@@H]1C[C@@H]2C[N@H+](C[C@H](O)CC3(C#N)CCC3)Cc3cccnc3N2C1	ZINC000886307080	986052609	/nfs/dbraw/zinc/05/26/09/986052609.db2.gz	JCWGPNGBAHCETP-KZNAEPCWSA-N	1	0	356.470	1.936	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cc3c(cc2C(=O)OC)OCCCO3)CC1	ZINC000870549784	986114975	/nfs/dbraw/zinc/11/49/75/986114975.db2.gz	HFSUNWUTOFVGIF-UHFFFAOYSA-N	1	0	372.421	1.918	20	30		FDEDRO
C#CCN(C[C@@H](O)C[N@@H+](C)CC)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886426493	986202406	/nfs/dbraw/zinc/20/24/06/986202406.db2.gz	ZULGHJKMJMLPSQ-KRWDZBQOSA-N	1	0	353.507	1.634	20	30		FDEDRO
C#CC[N@H+](C[C@@H](O)Cn1cccn1)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886427323	986203591	/nfs/dbraw/zinc/20/35/91/986203591.db2.gz	HCRMTSIMEUAYPB-QGZVFWFLSA-N	1	0	362.474	1.579	20	30		FDEDRO
C[NH+](C)CCNC(=S)N1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000795140276	986205363	/nfs/dbraw/zinc/20/53/63/986205363.db2.gz	YMPANGBCHUMOPV-UHFFFAOYSA-N	1	0	350.463	1.977	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1	ZINC000123313273	986302343	/nfs/dbraw/zinc/30/23/43/986302343.db2.gz	OJVKTWSZUSPXCG-INIZCTEOSA-N	1	0	355.438	1.581	20	30		FDEDRO
C#CCN(C(=O)Cc1nnc(-c2ccccc2OC)o1)C1CC[NH+](C)CC1	ZINC000886573238	986372984	/nfs/dbraw/zinc/37/29/84/986372984.db2.gz	BCPIRJODFIGEDQ-UHFFFAOYSA-N	1	0	368.437	1.844	20	30		FDEDRO
C#CCN(C(=O)COCCNC(=O)OC(C)(C)C)C1CC[NH+](C)CC1	ZINC000886581282	986383363	/nfs/dbraw/zinc/38/33/63/986383363.db2.gz	QRVKSIVGCGXJTF-UHFFFAOYSA-N	1	0	353.463	1.084	20	30		FDEDRO
C#CCN(C(=O)Cc1nnn(-c2ccccc2)c1C)C1CC[NH+](C)CC1	ZINC000886582367	986385354	/nfs/dbraw/zinc/38/53/54/986385354.db2.gz	RYVMPJBYYQOZAQ-UHFFFAOYSA-N	1	0	351.454	1.674	20	30		FDEDRO
C#CCN(C(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1)C1CC[NH+](C)CC1	ZINC000886583664	986389647	/nfs/dbraw/zinc/38/96/47/986389647.db2.gz	ZTGLNQAFDKEQDT-UHFFFAOYSA-N	1	0	354.458	1.597	20	30		FDEDRO
C#CCN(C(=O)CCn1cnc2ccccc2c1=O)C1CC[NH+](C)CC1	ZINC000886585440	986391293	/nfs/dbraw/zinc/39/12/93/986391293.db2.gz	WPGPFDCOBBWSJS-UHFFFAOYSA-N	1	0	352.438	1.343	20	30		FDEDRO
C#CCN(C(=O)CCn1cnc2sccc2c1=O)C1CC[NH+](C)CC1	ZINC000886585414	986391441	/nfs/dbraw/zinc/39/14/41/986391441.db2.gz	VTHZKZLRJHVBJY-UHFFFAOYSA-N	1	0	358.467	1.404	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCC[N@H+](CC(=O)NCC#N)C2	ZINC000886888057	986692044	/nfs/dbraw/zinc/69/20/44/986692044.db2.gz	QWGAVTTZCRHUBH-GOSISDBHSA-N	1	0	350.463	1.739	20	30		FDEDRO
N#Cc1cccc(OCCn2cnc3c(cnn3C3CC[NH2+]CC3)c2=O)c1	ZINC000871676667	987191016	/nfs/dbraw/zinc/19/10/16/987191016.db2.gz	FDBJLDKNAQPXBC-UHFFFAOYSA-N	1	0	364.409	1.468	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1	ZINC000871806443	987252519	/nfs/dbraw/zinc/25/25/19/987252519.db2.gz	HTXKALQUHOVIDS-KRWDZBQOSA-N	1	0	363.483	1.646	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1	ZINC000871812644	987263518	/nfs/dbraw/zinc/26/35/18/987263518.db2.gz	IYWBKBVFRRVODJ-SKDRFNHKSA-N	1	0	351.325	1.455	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1	ZINC000872223038	987524835	/nfs/dbraw/zinc/52/48/35/987524835.db2.gz	LZOJZPQOYNPVKJ-JYJNAYRXSA-N	1	0	354.495	1.618	20	30		FDEDRO
CCOC(=O)/C=C\c1ccc(C=NNC(=S)NCCC[NH+](C)C)n1C	ZINC000872350340	987614980	/nfs/dbraw/zinc/61/49/80/987614980.db2.gz	QLTDAPWOHJNDTB-PUIWZVIWSA-N	1	0	365.503	1.351	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2ccc(C)cc2C#N)CC1	ZINC000872475198	987699857	/nfs/dbraw/zinc/69/98/57/987699857.db2.gz	KQDKPQGWUTZRHD-HNNXBMFYSA-N	1	0	350.488	1.171	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000292916984	987932166	/nfs/dbraw/zinc/93/21/66/987932166.db2.gz	NXSJUMRXBXVQEH-SFHVURJKSA-N	1	0	354.454	1.507	20	30		FDEDRO
C=CCN(CCC#N)C(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1	ZINC000293238491	988001389	/nfs/dbraw/zinc/00/13/89/988001389.db2.gz	TUQDFCVZDDBVKM-UHFFFAOYSA-N	1	0	369.469	1.695	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2	ZINC000293321489	988035180	/nfs/dbraw/zinc/03/51/80/988035180.db2.gz	JYOWDTMPCFFSCO-MGPUTAFESA-N	1	0	370.453	1.860	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@H](CNC(N)=O)C1)C(C)C	ZINC000299010494	988036991	/nfs/dbraw/zinc/03/69/91/988036991.db2.gz	LIFJZKVGPREQED-SJORKVTESA-N	1	0	365.522	1.775	20	30		FDEDRO
CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(C#N)cn2)C1	ZINC000293554237	988110127	/nfs/dbraw/zinc/11/01/27/988110127.db2.gz	ZFMBLQIZNZXGIS-AWEZNQCLSA-N	1	0	357.458	1.909	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)CC1	ZINC000299137889	988162455	/nfs/dbraw/zinc/16/24/55/988162455.db2.gz	HLUOTNIPRGJQQT-UHFFFAOYSA-N	1	0	355.438	1.022	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1	ZINC000293867019	988241873	/nfs/dbraw/zinc/24/18/73/988241873.db2.gz	BOXBIHWDIAIVLF-SFHVURJKSA-N	1	0	367.449	1.692	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)CC1	ZINC000299284127	988291319	/nfs/dbraw/zinc/29/13/19/988291319.db2.gz	AECTYXRKUUVHRC-UHFFFAOYSA-N	1	0	355.438	1.443	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(c2ccc(C#N)nc2)CC1)C1=CC[N@H+](C)CC1	ZINC000872966438	988348204	/nfs/dbraw/zinc/34/82/04/988348204.db2.gz	OFYVZJKXRMOBEG-HNNXBMFYSA-N	1	0	354.458	1.435	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NC[C@@H]3CC[N@@H+]3C3CCCC3)CC2)cn1	ZINC000873084165	988521010	/nfs/dbraw/zinc/52/10/10/988521010.db2.gz	VQTXKPCCOBIOCI-IBGZPJMESA-N	1	0	368.485	1.802	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(-n2ccnc2C)c(F)c1	ZINC000362277649	988620828	/nfs/dbraw/zinc/62/08/28/988620828.db2.gz	DVQOGKOLFWASSQ-GFCCVEGCSA-N	1	0	359.405	1.982	20	30		FDEDRO
C#CC[C@@H](NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1	ZINC000366761939	988769104	/nfs/dbraw/zinc/76/91/04/988769104.db2.gz	LYIWACRELOIRJH-WOJBJXKFSA-N	1	0	370.497	1.457	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1	ZINC000362918550	988777605	/nfs/dbraw/zinc/77/76/05/988777605.db2.gz	QNJUXHYJLVSQPW-INIZCTEOSA-N	1	0	370.453	1.982	20	30		FDEDRO
Cn1cc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)N(CC#N)CC#N)cn1	ZINC000367484186	988953994	/nfs/dbraw/zinc/95/39/94/988953994.db2.gz	QWZBNCAEUFVKCK-MOPGFXCFSA-N	1	0	362.437	1.511	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1C#N	ZINC000873663259	988954311	/nfs/dbraw/zinc/95/43/11/988954311.db2.gz	GKGFWKINHJLADM-KGLIPLIRSA-N	1	0	358.442	1.884	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCN(c3ccccc3C#N)C2)C1	ZINC000363179399	988973890	/nfs/dbraw/zinc/97/38/90/988973890.db2.gz	KKIZXJCEIHTGTI-MSOLQXFVSA-N	1	0	371.485	1.547	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H](OCC3CC3)C2)CC1	ZINC000368800729	989008720	/nfs/dbraw/zinc/00/87/20/989008720.db2.gz	RFGOGGCKXCZFEE-RBUKOAKNSA-N	1	0	362.518	1.570	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(NC(=O)c2cc(C)on2)CC1	ZINC000368802248	989008915	/nfs/dbraw/zinc/00/89/15/989008915.db2.gz	KJNKXFSBMZSLFO-HNNXBMFYSA-N	1	0	360.458	1.766	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1ccc(F)cc1	ZINC000369222202	989035232	/nfs/dbraw/zinc/03/52/32/989035232.db2.gz	ZYUACYLDGCYJGT-ZWKOTPCHSA-N	1	0	359.449	1.810	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)NCc1ccn(-c2ccc(OC)cc2)n1	ZINC000296236804	989060886	/nfs/dbraw/zinc/06/08/86/989060886.db2.gz	BOWGZMZJQOZQGR-UHFFFAOYSA-N	1	0	355.442	1.635	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1	ZINC000296306867	989109937	/nfs/dbraw/zinc/10/99/37/989109937.db2.gz	JSTXUJATLIPPJH-KRWDZBQOSA-N	1	0	358.486	1.776	20	30		FDEDRO
CO[C@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1cnn(C)c1	ZINC000369747149	989141952	/nfs/dbraw/zinc/14/19/52/989141952.db2.gz	AERCXBQQDHSIMS-SFHVURJKSA-N	1	0	367.453	1.782	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1	ZINC000363397229	989163106	/nfs/dbraw/zinc/16/31/06/989163106.db2.gz	IUALMMDYORBTQL-JKSUJKDBSA-N	1	0	357.458	1.740	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1cccc(F)c1	ZINC000363519376	989268083	/nfs/dbraw/zinc/26/80/83/989268083.db2.gz	GJBMYNRAMTYZNE-ROUUACIJSA-N	1	0	359.449	1.810	20	30		FDEDRO
Cc1cc(CN2CCC([N@H+](C)CC(=O)N[C@@](C)(C#N)C3CC3)CC2)on1	ZINC000369905391	989288855	/nfs/dbraw/zinc/28/88/55/989288855.db2.gz	ZNWZAUYBYCOLII-IBGZPJMESA-N	1	0	359.474	1.688	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CCC[N@H+]2CC)s1	ZINC000873840786	989299004	/nfs/dbraw/zinc/29/90/04/989299004.db2.gz	XVODXYKDMARRMY-ZDUSSCGKSA-N	1	0	371.528	1.355	20	30		FDEDRO
N#Cc1cccnc1-n1cc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1	ZINC000369933086	989318742	/nfs/dbraw/zinc/31/87/42/989318742.db2.gz	MFEMODLZQOBJQE-GOEBONIOSA-N	1	0	351.414	1.887	20	30		FDEDRO
C=CC[C@H](C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1	ZINC000369961179	989343969	/nfs/dbraw/zinc/34/39/69/989343969.db2.gz	JZMXCZAEJOASLB-UXHICEINSA-N	1	0	357.498	1.869	20	30		FDEDRO
C[C@H](NC(=O)N1CCCN(c2ncccc2C#N)CC1)C1=CC[N@H+](C)CC1	ZINC000369994014	989367744	/nfs/dbraw/zinc/36/77/44/989367744.db2.gz	FCJPHJSMENIIFG-INIZCTEOSA-N	1	0	368.485	1.825	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1C#N	ZINC000873880915	989382723	/nfs/dbraw/zinc/38/27/23/989382723.db2.gz	WKVNRCUPMZTZTI-CZUORRHYSA-N	1	0	356.426	1.591	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@]2(NC(C)=O)CCCc3ccccc32)CC1	ZINC000370022760	989392546	/nfs/dbraw/zinc/39/25/46/989392546.db2.gz	XWNGHDBRYGHWNG-QFIPXVFZSA-N	1	0	367.493	1.958	20	30		FDEDRO
CC[N@H+](C)C[C@H]1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000370109023	989456983	/nfs/dbraw/zinc/45/69/83/989456983.db2.gz	DBSPXTYSDXCOBP-QGZVFWFLSA-N	1	0	370.501	1.905	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@H]4CCCCC[C@@H]43)CC2)o1	ZINC000363918603	989460442	/nfs/dbraw/zinc/46/04/42/989460442.db2.gz	DJWOLIOVUUYJDF-WBVHZDCISA-N	1	0	357.458	1.768	20	30		FDEDRO
COc1cccc(COC[C@H](O)C[NH+]2CCC(n3cnc(C#N)n3)CC2)c1	ZINC000370124349	989470670	/nfs/dbraw/zinc/47/06/70/989470670.db2.gz	WDAXRZQSNIDSJB-QGZVFWFLSA-N	1	0	371.441	1.373	20	30		FDEDRO
Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CNC(=O)c1cc(C#N)cs1	ZINC000364159758	989503762	/nfs/dbraw/zinc/50/37/62/989503762.db2.gz	IKYKYXAKWZBGDJ-UHFFFAOYSA-N	1	0	372.498	1.734	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(n2cnc(C(N)=O)c2N)CC1	ZINC000297312831	989511054	/nfs/dbraw/zinc/51/10/54/989511054.db2.gz	BUWMFJCYZGUTNI-ZDUSSCGKSA-N	1	0	362.478	1.014	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCc3nn(C(C)C)c(=O)cc3C2)CC1	ZINC000370227293	989566467	/nfs/dbraw/zinc/56/64/67/989566467.db2.gz	LIBQGWORDXRRGD-UHFFFAOYSA-N	1	0	373.501	1.932	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCC(C)([NH+]3CCCC3)CC2)cc1C#N	ZINC000873987104	989579067	/nfs/dbraw/zinc/57/90/67/989579067.db2.gz	WFYXSSPCXIHLDO-UHFFFAOYSA-N	1	0	370.453	1.982	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1	ZINC000297706090	989647706	/nfs/dbraw/zinc/64/77/06/989647706.db2.gz	IRDXLODBMMBBTO-QGZVFWFLSA-N	1	0	359.470	1.781	20	30		FDEDRO
C[C@@H](Nc1ccn(C2CC[NH+](C)CC2)n1)C(=O)Nc1cccc(C#N)c1	ZINC000364600993	989671653	/nfs/dbraw/zinc/67/16/53/989671653.db2.gz	FHMREMRYOPYTKM-CQSZACIVSA-N	1	0	352.442	2.461	20	30		FDEDRO
CN(C)c1cc[nH+]cc1C(=O)N1CCN(Cc2ccc(C#N)cc2)C(=O)C1	ZINC000364630858	989686540	/nfs/dbraw/zinc/68/65/40/989686540.db2.gz	GUPOAJANUHUCPU-UHFFFAOYSA-N	1	0	363.421	1.504	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)N1CCCN(CC(=O)N(CC)CC)CC1	ZINC000297839524	989719089	/nfs/dbraw/zinc/71/90/89/989719089.db2.gz	KJINFCQJNZTNAB-SFHVURJKSA-N	1	0	364.534	1.452	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)CC1	ZINC000364737730	989751665	/nfs/dbraw/zinc/75/16/65/989751665.db2.gz	QWIZPOYQWANZCD-OAHLLOKOSA-N	1	0	357.454	1.815	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1ccnc(OC)n1)C(C)C	ZINC000298007332	989833946	/nfs/dbraw/zinc/83/39/46/989833946.db2.gz	YMSJBCBQZPIJKU-AWEZNQCLSA-N	1	0	361.446	1.239	20	30		FDEDRO
Cn1ccnc1C[C@@H]1CCCN(C(=O)C#Cc2ccc3c(c2)OCO3)C1	ZINC000370615288	989900545	/nfs/dbraw/zinc/90/05/45/989900545.db2.gz	BEZKBAVYHKNBAE-INIZCTEOSA-N	1	0	351.406	1.982	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[N@@H+]([C@H](C)CO)CC1	ZINC000364938186	989906787	/nfs/dbraw/zinc/90/67/87/989906787.db2.gz	XGWVDBOQPFXXFR-APWZRJJASA-N	1	0	359.470	1.877	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)C2=O)cc1	ZINC000364980904	989932851	/nfs/dbraw/zinc/93/28/51/989932851.db2.gz	MGNNILCHNCILNZ-AABGKKOBSA-N	1	0	368.481	1.585	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1	ZINC000298338354	990057434	/nfs/dbraw/zinc/05/74/34/990057434.db2.gz	QDPOEQRLIRSAIC-NRFANRHFSA-N	1	0	368.481	1.851	20	30		FDEDRO
Cn1cc([C@H]2[C@@H](CNC(=O)COc3ccccc3C#N)CCC[N@@H+]2C)cn1	ZINC000370906453	990112924	/nfs/dbraw/zinc/11/29/24/990112924.db2.gz	VXDVHLDJNMPNCF-OXQOHEQNSA-N	1	0	367.453	1.870	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[NH+](CCC)CC2)s1	ZINC000874340201	990121979	/nfs/dbraw/zinc/12/19/79/990121979.db2.gz	NGQQZMATNFNAJR-UHFFFAOYSA-N	1	0	371.528	1.309	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)CC[NH+]2CCCC2)s1	ZINC000874349463	990140075	/nfs/dbraw/zinc/14/00/75/990140075.db2.gz	UBKNIMRVQRIVBJ-UHFFFAOYSA-N	1	0	371.528	1.309	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN(C(=O)COC)CC1)C(C)C	ZINC000298660747	990220257	/nfs/dbraw/zinc/22/02/57/990220257.db2.gz	IHEPIFRCEWABKK-QGZVFWFLSA-N	1	0	366.506	1.185	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)cc1	ZINC000365539579	990282481	/nfs/dbraw/zinc/28/24/81/990282481.db2.gz	WQILILVMNXXMNL-SFHVURJKSA-N	1	0	355.482	1.798	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)C[NH+](CC)CC)s1	ZINC000874469471	990311988	/nfs/dbraw/zinc/31/19/88/990311988.db2.gz	TYASHPBUBKUPCB-CYBMUJFWSA-N	1	0	373.544	1.601	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1	ZINC000968714301	1015562183	/nfs/dbraw/zinc/56/21/83/1015562183.db2.gz	IGRQXGDHZAZYHL-KBRIMQKVSA-N	1	0	370.453	1.172	20	30		FDEDRO
Cc1nc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(=O)[nH]c1C	ZINC000371529997	990505932	/nfs/dbraw/zinc/50/59/32/990505932.db2.gz	WIMFBVDFXHCQTK-UHFFFAOYSA-N	1	0	365.437	1.675	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1	ZINC000875060895	990810556	/nfs/dbraw/zinc/81/05/56/990810556.db2.gz	GWJQYDNDDAYJLF-BRWVUGGUSA-N	1	0	351.491	1.015	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C	ZINC000875107423	990904904	/nfs/dbraw/zinc/90/49/04/990904904.db2.gz	RIADNGRWVGOCRQ-MSOLQXFVSA-N	1	0	359.470	1.259	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1	ZINC000875129652	990936167	/nfs/dbraw/zinc/93/61/67/990936167.db2.gz	URUZFRWZLAYYCN-LJQANCHMSA-N	1	0	371.481	1.169	20	30		FDEDRO
C#CCSCC(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1	ZINC000888669439	991003993	/nfs/dbraw/zinc/00/39/93/991003993.db2.gz	QSMGNPGWFWNXFA-UHFFFAOYSA-N	1	0	359.495	1.731	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2cc3cnccc3o2)CC1	ZINC000875182129	991021893	/nfs/dbraw/zinc/02/18/93/991021893.db2.gz	FHDVWAQKSZIODI-CYBMUJFWSA-N	1	0	356.426	1.772	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2[C@H](O)c2ccccc2)CC1	ZINC000875182332	991022277	/nfs/dbraw/zinc/02/22/77/991022277.db2.gz	KYQOMWZLQJUAAV-RTBURBONSA-N	1	0	371.481	1.478	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCC(=O)Nc1ccc(C#N)cc1	ZINC000372339896	991024751	/nfs/dbraw/zinc/02/47/51/991024751.db2.gz	XDYMMVVMBCHPOR-LZQZEXGQSA-N	1	0	356.470	1.976	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@H]2CNC(=O)NC)CC1	ZINC000875245983	991185862	/nfs/dbraw/zinc/18/58/62/991185862.db2.gz	DAFDCZDKQVRXQL-INIZCTEOSA-N	1	0	351.495	1.520	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F	ZINC000875270905	991233101	/nfs/dbraw/zinc/23/31/01/991233101.db2.gz	AUYURIXIIQZOOO-HUUCEWRRSA-N	1	0	369.391	1.707	20	30		FDEDRO
N#CCCCOc1cccnc1NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000372678827	991335411	/nfs/dbraw/zinc/33/54/11/991335411.db2.gz	CHASECURPDRIIQ-HZPDHXFCSA-N	1	0	373.457	1.827	20	30		FDEDRO
Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2nn(C(C)(C)C)cc2C#N)cn1	ZINC000875395443	991462165	/nfs/dbraw/zinc/46/21/65/991462165.db2.gz	XWXOYCPKUKOWHK-HZPDHXFCSA-N	1	0	369.473	1.917	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2	ZINC000875555196	991731380	/nfs/dbraw/zinc/73/13/80/991731380.db2.gz	LOVHFKAKTNBYEI-SJORKVTESA-N	1	0	351.491	1.721	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1	ZINC000875599146	991786349	/nfs/dbraw/zinc/78/63/49/991786349.db2.gz	FRMRPCYUSNQPFX-LJQANCHMSA-N	1	0	371.481	1.266	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)c1	ZINC000373118642	991933576	/nfs/dbraw/zinc/93/35/76/991933576.db2.gz	UFHVDKWGEFBXPU-RBUKOAKNSA-N	1	0	356.470	1.407	20	30		FDEDRO
Cc1cc([C@H]2CCC[N@@H+](CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)C2)[nH]n1	ZINC000373138389	991949917	/nfs/dbraw/zinc/94/99/17/991949917.db2.gz	IJMBUFXVLFEHBN-HKUYNNGSSA-N	1	0	372.517	1.590	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(-c3ccccc3F)on2)CC1	ZINC000411257126	992288849	/nfs/dbraw/zinc/28/88/49/992288849.db2.gz	JVSDLLLKVIKQLD-UHFFFAOYSA-N	1	0	372.400	2.186	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1	ZINC000373837856	992477580	/nfs/dbraw/zinc/47/75/80/992477580.db2.gz	AJLYBKNRFUWGGV-QYZOEREBSA-N	1	0	364.534	1.778	20	30		FDEDRO
C=CCNC(=[NH2+])NC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(Cc2ccccc2)c1	ZINC000373870172	992496073	/nfs/dbraw/zinc/49/60/73/992496073.db2.gz	ANVWUQSKWSHFSX-QFBILLFUSA-N	1	0	366.469	1.751	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)CC[C@H]([NH3+])C(C)C)s1	ZINC000876542518	992693758	/nfs/dbraw/zinc/69/37/58/992693758.db2.gz	WBFIGZAODYZEQS-AWEZNQCLSA-N	1	0	373.544	1.587	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1	ZINC000876559424	992704820	/nfs/dbraw/zinc/70/48/20/992704820.db2.gz	YQUHGGOPSPUUQO-KRWDZBQOSA-N	1	0	356.470	1.695	20	30		FDEDRO
CCCNC(=O)C1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876573866	992712702	/nfs/dbraw/zinc/71/27/02/992712702.db2.gz	FWVLIWNHOXJMNC-SFHVURJKSA-N	1	0	354.454	1.510	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCN(C(=O)c2ccccc2F)CC1	ZINC000876581143	992716692	/nfs/dbraw/zinc/71/66/92/992716692.db2.gz	ALFBJKNWVDUJFG-HNNXBMFYSA-N	1	0	353.825	1.970	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@H](O)COc1cccc(F)c1	ZINC000876586649	992721622	/nfs/dbraw/zinc/72/16/22/992721622.db2.gz	HBEHQUVOBXCMRT-QFBILLFUSA-N	1	0	369.396	1.440	20	30		FDEDRO
CCN(CC)C(=O)N1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876589521	992723287	/nfs/dbraw/zinc/72/32/87/992723287.db2.gz	NIQOAWBIBBILHP-SFHVURJKSA-N	1	0	369.469	1.351	20	30		FDEDRO
C=C(Br)CNC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F	ZINC000876623932	992750092	/nfs/dbraw/zinc/75/00/92/992750092.db2.gz	BOISKLNTKQZWQN-SSDOTTSWSA-N	1	0	350.167	1.389	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](CO)[C@H]2CCCOC2)c1	ZINC000411978794	992750354	/nfs/dbraw/zinc/75/03/54/992750354.db2.gz	DKELWVVAMUIIKE-HKUYNNGSSA-N	1	0	359.470	1.927	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1	ZINC000876673012	992785748	/nfs/dbraw/zinc/78/57/48/992785748.db2.gz	IHDNOCAARUDQME-AWEZNQCLSA-N	1	0	356.253	1.981	20	30		FDEDRO
CCC1N=NC(=S)N1CCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000876680263	992790713	/nfs/dbraw/zinc/79/07/13/992790713.db2.gz	BIUWNGKIVMWEPW-HNNXBMFYSA-N	1	0	356.455	1.004	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](CN1CCOCC1)c1ccc(C)cc1	ZINC000876714461	992820938	/nfs/dbraw/zinc/82/09/38/992820938.db2.gz	YJGCMSYZZANWSD-IRXDYDNUSA-N	1	0	351.878	1.954	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1cccc(CN2CCO[C@H](C)C2)c1	ZINC000876735675	992851967	/nfs/dbraw/zinc/85/19/67/992851967.db2.gz	BEHJTJURNBPJTF-RHSMWYFYSA-N	1	0	351.878	1.993	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC[N@@H+]1C	ZINC000964944736	1015743730	/nfs/dbraw/zinc/74/37/30/1015743730.db2.gz	XSXSNZXNOFXOSY-SOLBZPMBSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCN(Cc2nc([C@H](C)OC)no2)CC1	ZINC000876779892	992905351	/nfs/dbraw/zinc/90/53/51/992905351.db2.gz	DAJGBUITHIZWLG-STQMWFEESA-N	1	0	371.869	1.281	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCC([C@H]3CCOC3)CC2)CC1	ZINC000374593041	992906241	/nfs/dbraw/zinc/90/62/41/992906241.db2.gz	IBMYRQSOMMRMGZ-OALUTQOASA-N	1	0	362.518	1.427	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)CN1CCN(c2ccccc2)CC1	ZINC000876784794	992912996	/nfs/dbraw/zinc/91/29/96/992912996.db2.gz	KEOQFMUXLYSUMZ-NVXWUHKLSA-N	1	0	350.894	1.783	20	30		FDEDRO
CCOC(=O)N[C@@H]1CCCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876875144	992944309	/nfs/dbraw/zinc/94/43/09/992944309.db2.gz	QFQOVFLUGYRZBR-WBVHZDCISA-N	1	0	356.426	1.482	20	30		FDEDRO
CC[C@H]1CN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CCN1CC(F)F	ZINC000876888740	992950473	/nfs/dbraw/zinc/95/04/73/992950473.db2.gz	FKUJYBPRVIUXOR-MAUKXSAKSA-N	1	0	362.424	1.933	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)c(F)c1	ZINC000374902477	992966370	/nfs/dbraw/zinc/96/63/70/992966370.db2.gz	MSEQRFHXJQTNMT-UHFFFAOYSA-N	1	0	361.392	1.971	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCN(c2ncccc2F)CC1	ZINC000876940840	992975886	/nfs/dbraw/zinc/97/58/86/992975886.db2.gz	YWQXOALKCJTCLX-SFHVURJKSA-N	1	0	365.412	1.628	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@H](c1ccc(OC)cc1)C1CCOCC1	ZINC000374988350	992977928	/nfs/dbraw/zinc/97/79/28/992977928.db2.gz	NUXQKLWBZCRVOP-SFHVURJKSA-N	1	0	361.442	1.764	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)C[C@H]21	ZINC000375050999	992988630	/nfs/dbraw/zinc/98/86/30/992988630.db2.gz	UIZHDOBSGBLWPG-WMLDXEAASA-N	1	0	354.454	1.979	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1	ZINC000876969577	992989896	/nfs/dbraw/zinc/98/98/96/992989896.db2.gz	UBEHDQLEFWVGFD-LSDHHAIUSA-N	1	0	371.890	1.889	20	30		FDEDRO
COCC[C@@H]1CCCC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1	ZINC000375105456	992995499	/nfs/dbraw/zinc/99/54/99/992995499.db2.gz	MFUNHBDKQKXKOM-OALUTQOASA-N	1	0	364.534	1.817	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1	ZINC000877014015	993010081	/nfs/dbraw/zinc/01/00/81/993010081.db2.gz	XRTAPXROLAPTRT-GOSISDBHSA-N	1	0	361.873	1.664	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2	ZINC000877194797	993097120	/nfs/dbraw/zinc/09/71/20/993097120.db2.gz	WUAOBACYXZJQPE-KKUMJFAQSA-N	1	0	358.504	1.965	20	30		FDEDRO
C[C@@]1(C(F)(F)F)CN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CCO1	ZINC000877234975	993127954	/nfs/dbraw/zinc/12/79/54/993127954.db2.gz	KNWJHCFXDOUFGH-HOCLYGCPSA-N	1	0	353.344	1.925	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CN(Cc2ccc(C)cc2)CCO1	ZINC000877248137	993144324	/nfs/dbraw/zinc/14/43/24/993144324.db2.gz	GTFRMACHEGYUIG-IAGOWNOFSA-N	1	0	351.878	1.782	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CN(Cc2cccc(C)c2)CCO1	ZINC000877248296	993144532	/nfs/dbraw/zinc/14/45/32/993144532.db2.gz	JQDHKEHAMCKMKK-IRXDYDNUSA-N	1	0	351.878	1.782	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)c1nnn([C@H]3CC[NH2+]C3)c1C(F)F)C2	ZINC000877267199	993164654	/nfs/dbraw/zinc/16/46/54/993164654.db2.gz	ZJRGAIUQMFUBAQ-KGLIPLIRSA-N	1	0	372.379	1.519	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)CN2CCC[N@@H+]([C@@H](C)CO)CC2)c1C	ZINC000375483785	993180292	/nfs/dbraw/zinc/18/02/92/993180292.db2.gz	MNZJZOMHDKFFRI-SFHVURJKSA-N	1	0	372.513	1.939	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCc2c(I)cnn2C)CCC[NH2+]1	ZINC000877291428	993186399	/nfs/dbraw/zinc/18/63/99/993186399.db2.gz	IDTQMGMXEFDJLW-ZDUSSCGKSA-N	1	0	374.226	1.339	20	30		FDEDRO
COC(=O)CC[C@@H]1CCCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000877381080	993263063	/nfs/dbraw/zinc/26/30/63/993263063.db2.gz	ZXVZRSUWRPXFRL-IFXJQAMLSA-N	1	0	355.438	1.937	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cn1cccn1	ZINC001095534830	993291638	/nfs/dbraw/zinc/29/16/38/993291638.db2.gz	JJEKDTMERIEION-OWSLCNJRSA-N	1	0	369.469	1.267	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@H](CC[NH3+])C2)cc1Br	ZINC000923698191	993339626	/nfs/dbraw/zinc/33/96/26/993339626.db2.gz	DQFTYIGQCAUYBC-JTQLQIEISA-N	1	0	358.261	1.680	20	30		FDEDRO
Cn1cc(C[NH+]2CCC(c3nnnn3C)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000877780971	993509150	/nfs/dbraw/zinc/50/91/50/993509150.db2.gz	LYKDZWXQTFLRKN-UHFFFAOYSA-N	1	0	362.441	1.862	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCCC(=O)N2)C3)cc1	ZINC001095586486	993645656	/nfs/dbraw/zinc/64/56/56/993645656.db2.gz	ONERSBXWQMEXDY-BDXSIMOUSA-N	1	0	352.438	1.448	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCc1ccc(C(N)=O)cc1	ZINC000878186577	993771984	/nfs/dbraw/zinc/77/19/84/993771984.db2.gz	VXSMNWREELOZOK-AWEZNQCLSA-N	1	0	350.426	1.200	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@H]2CO[C@@H](CCC(=O)OC(C)(C)C)C2)CC1	ZINC000878222074	993801651	/nfs/dbraw/zinc/80/16/51/993801651.db2.gz	AAJXOZZZVRSGKU-CABCVRRESA-N	1	0	365.474	1.618	20	30		FDEDRO
C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C	ZINC000968896460	1015819755	/nfs/dbraw/zinc/81/97/55/1015819755.db2.gz	QVFDUUFEVUCASV-KZNAEPCWSA-N	1	0	358.486	1.882	20	30		FDEDRO
CCOC(=O)[C@@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)CCC1(F)F	ZINC000879368026	994839167	/nfs/dbraw/zinc/83/91/67/994839167.db2.gz	VCJYMNMKHHRYBM-KBPBESRZSA-N	1	0	360.401	1.578	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@H+]2Cc3cccnc3N3CCC[C@@H]3C2)CCOCC1	ZINC000879500914	994964919	/nfs/dbraw/zinc/96/49/19/994964919.db2.gz	CWGDKEZRYJJKAY-MSOLQXFVSA-N	1	0	356.470	1.937	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccc(C#N)c(OC)c2)CC1	ZINC000826113888	994992862	/nfs/dbraw/zinc/99/28/62/994992862.db2.gz	QUJVEMKDQWMUEN-UHFFFAOYSA-N	1	0	358.442	1.193	20	30		FDEDRO
CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH+]1CCN(c2ccc(C#N)cc2)CC1	ZINC000879586223	995050465	/nfs/dbraw/zinc/05/04/65/995050465.db2.gz	IBOYODNJJJNXGJ-HXUWFJFHSA-N	1	0	374.485	1.956	20	30		FDEDRO
CN1CC[NH+](C2CCN(CC(=O)N(CCC#N)c3ccccc3)CC2)CC1	ZINC000879592173	995061495	/nfs/dbraw/zinc/06/14/95/995061495.db2.gz	ZHYPJOCUPXYQDJ-UHFFFAOYSA-N	1	0	369.513	1.645	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCC2(C)CCN(c3ccc(C#N)nn3)CC2)CC[N@@H+]1C	ZINC001110898029	995253593	/nfs/dbraw/zinc/25/35/93/995253593.db2.gz	LDBZIADGOFRRCM-DLBZAZTESA-N	1	0	370.501	1.801	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCN(S(C)(=O)=O)C1	ZINC001110898741	995265029	/nfs/dbraw/zinc/26/50/29/995265029.db2.gz	RFUIZIDRMGVXRK-FPCVCCKLSA-N	1	0	369.531	1.202	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(C)=O)CC1	ZINC000965226969	1015942145	/nfs/dbraw/zinc/94/21/45/1015942145.db2.gz	KAFHQLNSGPOUSQ-HCXYKTFWSA-N	1	0	361.486	1.264	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(Cc2ccc(OC3CC[NH+](C)CC3)cc2)C1=O	ZINC000925352375	995526194	/nfs/dbraw/zinc/52/61/94/995526194.db2.gz	CWJDWSSSAGNGAG-SFHVURJKSA-N	1	0	373.453	1.783	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCNC(=O)CC12CCC2	ZINC000880166417	995701732	/nfs/dbraw/zinc/70/17/32/995701732.db2.gz	DUTBZCANGXMBDQ-UHFFFAOYSA-N	1	0	351.406	1.031	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1	ZINC000880222336	995736784	/nfs/dbraw/zinc/73/67/84/995736784.db2.gz	NESCXRFJZFPBHG-FZNQNYSPSA-N	1	0	351.244	1.528	20	30		FDEDRO
C[C@H]1CN(CCS(=O)(=O)c2ccc(C#N)cc2)CCN1c1cc[nH+]cc1	ZINC000880262559	995765800	/nfs/dbraw/zinc/76/58/00/995765800.db2.gz	PFZZWGAJMUPKMW-INIZCTEOSA-N	1	0	370.478	1.938	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2C[NH2+]C[C@H]2C)cc1	ZINC000925946496	995849245	/nfs/dbraw/zinc/84/92/45/995849245.db2.gz	KRLGNDLAMLZDST-KGLIPLIRSA-N	1	0	366.487	1.470	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)CCOCC1	ZINC000926142295	995934959	/nfs/dbraw/zinc/93/49/59/995934959.db2.gz	KOBJPOMSGDXNGU-PDOICOKGSA-N	1	0	350.503	1.955	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cccc(C#CCO)c1)C2	ZINC000926191415	995970783	/nfs/dbraw/zinc/97/07/83/995970783.db2.gz	DPRRBRKAEXMETD-XCJLJZCSSA-N	1	0	356.466	1.240	20	30		FDEDRO
Cc1ccc(CNC(=O)N2CCO[C@@H](CN3CC[NH+](C)CC3)C2)cc1C#N	ZINC000926856160	996344594	/nfs/dbraw/zinc/34/45/94/996344594.db2.gz	RAWXVDVXTSASIW-IBGZPJMESA-N	1	0	371.485	1.025	20	30		FDEDRO
C#CCN(C(=O)NC[C@H]1CCN1C(=O)OC(C)(C)C)C1CC[NH+](C)CC1	ZINC000927045225	996427696	/nfs/dbraw/zinc/42/76/96/996427696.db2.gz	PVPYBKFXRJDNPN-MRXNPFEDSA-N	1	0	364.490	1.735	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)NCCOc2ccc(OCC)cc2)CCOCC1	ZINC000887125922	996955257	/nfs/dbraw/zinc/95/52/57/996955257.db2.gz	PLOMCOSSRQSUKB-UHFFFAOYSA-N	1	0	360.454	1.742	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)Nc2cccc(N3CCCC3=O)c2)CCOCC1	ZINC000887127320	996955926	/nfs/dbraw/zinc/95/59/26/996955926.db2.gz	MYNGFZMEEOBKGX-UHFFFAOYSA-N	1	0	355.438	1.914	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CN(Cc3cccc(C)c3)CCO2)nn1	ZINC000826551795	997033665	/nfs/dbraw/zinc/03/36/65/997033665.db2.gz	QEHQCOSVDKQUBY-SFHVURJKSA-N	1	0	369.469	1.793	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(N=S(C)(C)=O)c1	ZINC000890300511	997169642	/nfs/dbraw/zinc/16/96/42/997169642.db2.gz	QRRLBLCCCNSRJS-UHFFFAOYSA-N	1	0	364.471	1.056	20	30		FDEDRO
COc1ccc([C@H](O)CNC(=[NH2+])NCc2ccc(OC)c(OC)c2)cc1	ZINC000264083137	997398465	/nfs/dbraw/zinc/39/84/65/997398465.db2.gz	ICXOYVFRRDOTLC-MRXNPFEDSA-N	1	0	359.426	1.850	20	30		FDEDRO
CC(C)(C)NC(=[NH2+])NCc1ccccc1OCC(=O)NC[C@H]1CCCO1	ZINC000264081585	997398628	/nfs/dbraw/zinc/39/86/28/997398628.db2.gz	HQJIIRKXADEDCZ-OAHLLOKOSA-N	1	0	362.474	1.563	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)cc1O	ZINC000264113412	997403757	/nfs/dbraw/zinc/40/37/57/997403757.db2.gz	RQXPYPQYVOYPNP-UHFFFAOYSA-N	1	0	364.446	1.768	20	30		FDEDRO
CC1CCN(C(=[NH2+])NCCc2ccc(OCC(=O)NC3CC3)cc2)CC1	ZINC000264119403	997405170	/nfs/dbraw/zinc/40/51/70/997405170.db2.gz	UJSIZZIEXJKHCR-UHFFFAOYSA-N	1	0	358.486	1.933	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1	ZINC000264343493	997470926	/nfs/dbraw/zinc/47/09/26/997470926.db2.gz	QLNKYQAUTITYPS-UHFFFAOYSA-N	1	0	356.426	1.258	20	30		FDEDRO
COc1cc(CNC(=O)C2(C#N)CCOCC2)ccc1OCC[NH+](C)C	ZINC000264520653	997529763	/nfs/dbraw/zinc/52/97/63/997529763.db2.gz	FIICZMVLTIIGRO-UHFFFAOYSA-N	1	0	361.442	1.572	20	30		FDEDRO
C#CCC1(NC(=O)NCc2cccc(OCC[NH+](C)C)c2)CCOCC1	ZINC000887681799	997645308	/nfs/dbraw/zinc/64/53/08/997645308.db2.gz	NFKXSKJKAYGWHD-UHFFFAOYSA-N	1	0	359.470	1.999	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1ccccc1)N1CCOCC1	ZINC000104170256	998312325	/nfs/dbraw/zinc/31/23/25/998312325.db2.gz	PCKSBCCNHFODDC-OALUTQOASA-N	1	0	359.518	1.449	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCC12OCCO2	ZINC000889508644	998388730	/nfs/dbraw/zinc/38/87/30/998388730.db2.gz	LXPQLOPJYONZJW-GOSISDBHSA-N	1	0	372.469	1.927	20	30		FDEDRO
N#Cc1cccc(-n2ccc(C(=O)N3CC[C@@H]4[C@@H]3CCC[N@H+]4CCO)n2)c1	ZINC000889755086	998601381	/nfs/dbraw/zinc/60/13/81/998601381.db2.gz	HGPHZSOYSIPYBG-MOPGFXCFSA-N	1	0	365.437	1.415	20	30		FDEDRO
C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc(CC#N)n1	ZINC000889856758	998707296	/nfs/dbraw/zinc/70/72/96/998707296.db2.gz	UCJDKWRLOOMBGW-QGZVFWFLSA-N	1	0	365.437	1.375	20	30		FDEDRO
C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000890232825	998876143	/nfs/dbraw/zinc/87/61/43/998876143.db2.gz	XPGPNSXAGMWOBK-MAUKXSAKSA-N	1	0	354.454	1.390	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(N(C)C(=O)CC)cc1	ZINC000890300281	998897669	/nfs/dbraw/zinc/89/76/69/998897669.db2.gz	JFFXUDLDJFRBSW-UHFFFAOYSA-N	1	0	358.442	1.069	20	30		FDEDRO
CC1([NH+]2CCCC2)CCN(C(=O)C(=O)Nc2cccc(CC#N)n2)CC1	ZINC000890415505	998935825	/nfs/dbraw/zinc/93/58/25/998935825.db2.gz	ICVUBRLCEIHDHH-UHFFFAOYSA-N	1	0	355.442	1.563	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)n1	ZINC000890429229	998939484	/nfs/dbraw/zinc/93/94/84/998939484.db2.gz	DFAQBSWMMWNWCC-KRWDZBQOSA-N	1	0	369.469	1.999	20	30		FDEDRO
Cc1ccc(C#N)c(NC[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CCO2)n1	ZINC001066686881	999016528	/nfs/dbraw/zinc/01/65/28/999016528.db2.gz	CCPGUDGDBWARKO-ARFHVFGLSA-N	1	0	366.425	1.428	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNc3ccc(C#N)cn3)C2)CC[N@@H+]1C	ZINC001066688149	999024727	/nfs/dbraw/zinc/02/47/27/999024727.db2.gz	WDMLPLQSFHLJJG-YESZJQIVSA-N	1	0	357.458	1.323	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccnc(OC)n1	ZINC001110863250	999072074	/nfs/dbraw/zinc/07/20/74/999072074.db2.gz	BEYOAUBUBKIKQR-WWNBULGVSA-N	1	0	374.485	1.936	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OCC)c(OC)c2)CC1	ZINC000266623433	999203634	/nfs/dbraw/zinc/20/36/34/999203634.db2.gz	BTRGKRBFZKCBQK-UHFFFAOYSA-N	1	0	361.442	1.799	20	30		FDEDRO
C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000266637879	999207102	/nfs/dbraw/zinc/20/71/02/999207102.db2.gz	LCELCKYUOPRASN-NSHDSACASA-N	1	0	368.359	1.926	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000266751776	999226585	/nfs/dbraw/zinc/22/65/85/999226585.db2.gz	RZAAGKHSDYFWSA-OAHLLOKOSA-N	1	0	357.385	1.249	20	30		FDEDRO
COc1ccccc1O[C@@H](C)CNC(=[NH2+])N1CCN(c2ncccn2)CC1	ZINC000267462494	999342846	/nfs/dbraw/zinc/34/28/46/999342846.db2.gz	VQRMTOZHZMORGR-HNNXBMFYSA-N	1	0	370.457	1.389	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC2(CNC(=O)C2)CC1	ZINC000267865731	999405706	/nfs/dbraw/zinc/40/57/06/999405706.db2.gz	YVPVAJLQKLFOIJ-INIZCTEOSA-N	1	0	354.454	1.924	20	30		FDEDRO
CCOC(=O)Nc1ccc(NC(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1C#N	ZINC000269853139	999475965	/nfs/dbraw/zinc/47/59/65/999475965.db2.gz	RRWFFZNVVWNZFG-HNNXBMFYSA-N	1	0	374.445	1.494	20	30		FDEDRO
C[NH+](C)C[C@@H](NC(=O)C(=O)N1CCc2ccc(C#N)cc21)c1ccccc1	ZINC000270177337	999521533	/nfs/dbraw/zinc/52/15/33/999521533.db2.gz	LIAXLXOHOJKVES-GOSISDBHSA-N	1	0	362.433	1.866	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)nn1CCC#N	ZINC000271106553	999662525	/nfs/dbraw/zinc/66/25/25/999662525.db2.gz	GGXWAROABOEFGB-UHFFFAOYSA-N	1	0	372.429	1.227	20	30		FDEDRO
COC(=O)COc1ccc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)cc1	ZINC000274425433	999739046	/nfs/dbraw/zinc/73/90/46/999739046.db2.gz	FSQRCORPCDQJJE-DJJJIMSYSA-N	1	0	359.426	1.697	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)NCCc1cccnc1)C(C)C	ZINC000283475057	999754874	/nfs/dbraw/zinc/75/48/74/999754874.db2.gz	GLNCQDFOFFRGIQ-SFHVURJKSA-N	1	0	358.486	1.555	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1	ZINC000283789356	999761671	/nfs/dbraw/zinc/76/16/71/999761671.db2.gz	FGMARRBBRNVVQP-MRXNPFEDSA-N	1	0	359.470	1.716	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(OC)c(O)c2)CC1	ZINC000284013699	999770290	/nfs/dbraw/zinc/77/02/90/999770290.db2.gz	NTMZSFGPRGWEJI-UHFFFAOYSA-N	1	0	361.442	1.174	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)c1ccc(C#N)cc1	ZINC000284013557	999770293	/nfs/dbraw/zinc/77/02/93/999770293.db2.gz	NSTDMFODXKGNSY-GJZGRUSLSA-N	1	0	356.470	1.924	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCC2(c3ccccc3)CCC2)CC1	ZINC000284062467	999775961	/nfs/dbraw/zinc/77/59/61/999775961.db2.gz	QAXNIULQJZUTJU-UHFFFAOYSA-N	1	0	355.482	1.991	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@H](COC)C1)C(C)C	ZINC000284075728	999775980	/nfs/dbraw/zinc/77/59/80/999775980.db2.gz	ODMYYERMGMGKEV-ZWKOTPCHSA-N	1	0	365.518	1.686	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1	ZINC000284584700	999853141	/nfs/dbraw/zinc/85/31/41/999853141.db2.gz	VRRZJBNOBAMQHY-IAGOWNOFSA-N	1	0	373.497	1.947	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)COc2cccc(C)c2)CC1	ZINC000284935176	999884524	/nfs/dbraw/zinc/88/45/24/999884524.db2.gz	FRJPWHXQHASMBX-MRXNPFEDSA-N	1	0	359.470	1.645	20	30		FDEDRO
C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N(C)Cc1ccc(C#N)cc1	ZINC000285088923	999901721	/nfs/dbraw/zinc/90/17/21/999901721.db2.gz	PKRLZODHEFNPSA-ZACQAIPSSA-N	1	0	370.497	1.999	20	30		FDEDRO
CCCCOCCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000285701524	999919370	/nfs/dbraw/zinc/91/93/70/999919370.db2.gz	YASFKRUYBRUKTG-UHFFFAOYSA-N	1	0	374.485	1.381	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2ccc(C)c(OC)c2)CC1	ZINC000286478052	999944646	/nfs/dbraw/zinc/94/46/46/999944646.db2.gz	JCOMHGZHFVXSSC-UHFFFAOYSA-N	1	0	359.470	1.429	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2cccc(OCCC)c2)CC1	ZINC000286681583	999945843	/nfs/dbraw/zinc/94/58/43/999945843.db2.gz	OYXSFBFZEANBMU-UHFFFAOYSA-N	1	0	373.497	1.901	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CCc3ccccc3C2)CC1	ZINC000286717133	999946877	/nfs/dbraw/zinc/94/68/77/999946877.db2.gz	QUNYEWZXUAOEJG-IBGZPJMESA-N	1	0	355.482	1.769	20	30		FDEDRO
C#CCN(CC#C)C(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1	ZINC000287823957	999963564	/nfs/dbraw/zinc/96/35/64/999963564.db2.gz	PQYUBENPLXDZHL-UHFFFAOYSA-N	1	0	368.437	1.000	20	30		FDEDRO
N#CCC(=O)N1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1	ZINC000288016288	999982823	/nfs/dbraw/zinc/98/28/23/999982823.db2.gz	BTIAITTZWUTFJL-SFHVURJKSA-N	1	0	354.454	1.626	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C	ZINC000288240339	1000000143	/nfs/dbraw/zinc/00/01/43/1000000143.db2.gz	SDEKHTBYZRUJQB-DOTOQJQBSA-N	1	0	355.438	1.722	20	30		FDEDRO
C[N@H+](Cc1ccccc1)C1CN(C(=O)CCNC(=O)C2N=CC=CC2=O)C1	ZINC000288373290	1000012219	/nfs/dbraw/zinc/01/22/19/1000012219.db2.gz	LIRILWFSDXMMGT-VXPUYCOJSA-N	1	0	368.437	1.246	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c(F)c1	ZINC000288908958	1000058330	/nfs/dbraw/zinc/05/83/30/1000058330.db2.gz	HJGDZKOJCVTRFV-TZMCWYRMSA-N	1	0	361.392	1.970	20	30		FDEDRO
C[N@H+](C[C@@H](O)CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1)C1CC1	ZINC000289309328	1000089360	/nfs/dbraw/zinc/08/93/60/1000089360.db2.gz	DUPIUZKUJIHWNX-LJQANCHMSA-N	1	0	356.470	1.664	20	30		FDEDRO
C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@@H+](CC)CC1	ZINC000289618745	1000109501	/nfs/dbraw/zinc/10/95/01/1000109501.db2.gz	JPYCVQVLMSLLJN-UHFFFAOYSA-N	1	0	374.514	1.988	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)C[N@@H+](CC)CCC)cc1	ZINC000290556651	1000144212	/nfs/dbraw/zinc/14/42/12/1000144212.db2.gz	YDSYOCWOQSYDEI-OAHLLOKOSA-N	1	0	374.485	1.778	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNC(=O)C(F)(F)F	ZINC001110925363	1000882737	/nfs/dbraw/zinc/88/27/37/1000882737.db2.gz	WZSAGBGZPTXEGZ-KFWWJZLASA-N	1	0	373.419	1.970	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CCC4(C3)CC[NH2+]CC4)cc21	ZINC000927795831	1001054067	/nfs/dbraw/zinc/05/40/67/1001054067.db2.gz	UJQUDNYGKSBKQF-UHFFFAOYSA-N	1	0	367.453	1.763	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)cc1	ZINC000927868852	1001154426	/nfs/dbraw/zinc/15/44/26/1001154426.db2.gz	GRJYUVXEACHYTI-OXQOHEQNSA-N	1	0	370.453	1.189	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]CC3)CC2)ccc1C#N	ZINC000927895889	1001200888	/nfs/dbraw/zinc/20/08/88/1001200888.db2.gz	ROKRIGMVSXOUJL-HNNXBMFYSA-N	1	0	369.469	1.829	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2O)CC1	ZINC000928653832	1001610354	/nfs/dbraw/zinc/61/03/54/1001610354.db2.gz	BXQQZJIWGKFXBM-QGZVFWFLSA-N	1	0	355.438	1.211	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2nc(CC)n(-c3ccccc3F)n2)CC1	ZINC000928655836	1001612059	/nfs/dbraw/zinc/61/20/59/1001612059.db2.gz	ZWYIQPPDUZHTRW-UHFFFAOYSA-N	1	0	355.417	1.796	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3[nH]c(=O)[nH]c3n1)C2	ZINC001110947182	1001612463	/nfs/dbraw/zinc/61/24/63/1001612463.db2.gz	BURWNCFMNIBLPG-DFBGVHRSSA-N	1	0	357.414	1.201	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)CC1	ZINC000928656648	1001612647	/nfs/dbraw/zinc/61/26/47/1001612647.db2.gz	BARQSAHPPIECDO-ZDUSSCGKSA-N	1	0	361.392	1.532	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)CC1	ZINC000928658846	1001614054	/nfs/dbraw/zinc/61/40/54/1001614054.db2.gz	UXFYCXLBYVZGQC-UHFFFAOYSA-N	1	0	353.422	1.163	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CC1	ZINC000928660584	1001615947	/nfs/dbraw/zinc/61/59/47/1001615947.db2.gz	RAAPJAXZFVFGGQ-UHFFFAOYSA-N	1	0	359.382	1.584	20	30		FDEDRO
COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CN=C(c2cnn(C)c2)O1	ZINC000929395131	1001996817	/nfs/dbraw/zinc/99/68/17/1001996817.db2.gz	NTFLZKILSIXFHX-SFHVURJKSA-N	1	0	353.426	1.586	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1ccc(OC(C)C)nc1)C1CC[NH+](C)CC1	ZINC000929444526	1002064346	/nfs/dbraw/zinc/06/43/46/1002064346.db2.gz	WYDUJXMGIMKFKB-UHFFFAOYSA-N	1	0	372.469	1.041	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1	ZINC000929465397	1002084172	/nfs/dbraw/zinc/08/41/72/1002084172.db2.gz	QHUXHQIPVHKSEK-MRXNPFEDSA-N	1	0	366.512	1.132	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H](C)Cc1ccccc1C)C1CC[NH+](C)CC1	ZINC000929594083	1002241067	/nfs/dbraw/zinc/24/10/67/1002241067.db2.gz	ZBYJSKCRFUETAO-KRWDZBQOSA-N	1	0	355.482	1.598	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1C#N	ZINC000929607866	1002257514	/nfs/dbraw/zinc/25/75/14/1002257514.db2.gz	CZEKFMGSNCQLCY-UHFFFAOYSA-N	1	0	356.470	1.862	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1	ZINC000965950488	1016592736	/nfs/dbraw/zinc/59/27/36/1016592736.db2.gz	ZXWLQMWPZHBCFR-XDNAFOTISA-N	1	0	365.518	1.805	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CC(=O)N2CCC2)CC1	ZINC000948385341	1002290518	/nfs/dbraw/zinc/29/05/18/1002290518.db2.gz	KXCDORLVIKKFPY-KSZLIROESA-N	1	0	363.502	1.513	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](C)C	ZINC000076227875	1002325515	/nfs/dbraw/zinc/32/55/15/1002325515.db2.gz	HGXSTKNHXCCALY-OAHLLOKOSA-N	1	0	363.433	1.869	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NCC[N@@H+](C)Cc2ccccc2)cc1C#N	ZINC000929667797	1002325969	/nfs/dbraw/zinc/32/59/69/1002325969.db2.gz	XLDPLCFPGCJONV-UHFFFAOYSA-N	1	0	364.449	1.731	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(NC(=O)C(C)(C)[NH+]2CCCC2)CC1	ZINC000948475539	1002381325	/nfs/dbraw/zinc/38/13/25/1002381325.db2.gz	OSCDDPUUXBRBMI-SJORKVTESA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2csnc2C)C[C@H]1C	ZINC000948574060	1002462604	/nfs/dbraw/zinc/46/26/04/1002462604.db2.gz	ZPPRMJBLNBJNDW-WQVCFCJDSA-N	1	0	360.483	1.126	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cccc(C#N)c1	ZINC000929954097	1002642749	/nfs/dbraw/zinc/64/27/49/1002642749.db2.gz	WCCLQCQRXJBJRM-KSSFIOAISA-N	1	0	370.453	1.105	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cccc(C#N)c1	ZINC000929954095	1002643878	/nfs/dbraw/zinc/64/38/78/1002643878.db2.gz	WCCLQCQRXJBJRM-KDOFPFPSSA-N	1	0	370.453	1.105	20	30		FDEDRO
CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)CC1	ZINC000948783325	1002680487	/nfs/dbraw/zinc/68/04/87/1002680487.db2.gz	VKEJTGVEMYITRM-KSZLIROESA-N	1	0	354.454	1.493	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2c(F)cc(O)cc2F)CC1	ZINC000930006650	1002730038	/nfs/dbraw/zinc/73/00/38/1002730038.db2.gz	HUYXHZLNGPPDRQ-UHFFFAOYSA-N	1	0	367.396	1.096	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H](C)Cc1ccc(C)cc1C)C1CC[NH+](C)CC1	ZINC000930054063	1002769436	/nfs/dbraw/zinc/76/94/36/1002769436.db2.gz	HRSQMNINUUELNE-SFHVURJKSA-N	1	0	369.509	1.907	20	30		FDEDRO
C#Cc1cncc(C(=O)NCC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c1	ZINC000949011248	1002930378	/nfs/dbraw/zinc/93/03/78/1002930378.db2.gz	WAHMJMGKCWRBQW-DNVCBOLYSA-N	1	0	368.481	1.372	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3cc(C)[nH]c3C)C[C@H]2C)CC1	ZINC000949059152	1002962963	/nfs/dbraw/zinc/96/29/63/1002962963.db2.gz	DIWPUMCWDYAIHP-AUUYWEPGSA-N	1	0	370.497	1.553	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)c3ccccc3C[NH+](C)C)[C@@H](O)C2)C1	ZINC000966035444	1016713478	/nfs/dbraw/zinc/71/34/78/1016713478.db2.gz	YAYKHGOKICFYNN-MSOLQXFVSA-N	1	0	371.481	1.406	20	30		FDEDRO
Cc1cc(NC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)nn1CCC#N	ZINC000930633165	1003346775	/nfs/dbraw/zinc/34/67/75/1003346775.db2.gz	LADXXCPMEKUDCG-INIZCTEOSA-N	1	0	359.478	1.349	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[N@@H+](CCOC)C[C@@H](O)C(F)(F)F)cc1	ZINC000930883245	1003632903	/nfs/dbraw/zinc/63/29/03/1003632903.db2.gz	CPZHYFOEQCJOGG-OAHLLOKOSA-N	1	0	358.360	1.868	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc(F)c2C)C[C@H]1C	ZINC000949774134	1003689835	/nfs/dbraw/zinc/68/98/35/1003689835.db2.gz	AOBHFRRRZXXRDH-ZMYBRWDISA-N	1	0	371.456	1.808	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](O)COCC(C)C)cn1	ZINC001111295635	1003724825	/nfs/dbraw/zinc/72/48/25/1003724825.db2.gz	XUXDHZCGLPZCHE-WCIQWLHISA-N	1	0	371.481	1.432	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CC[NH+](C[C@H](O)C4(O)CCC4)CC3)n[nH]2)cc1	ZINC000930994679	1003751693	/nfs/dbraw/zinc/75/16/93/1003751693.db2.gz	ZBTAXJVLPSFCLC-SFHVURJKSA-N	1	0	367.453	1.346	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C[C@H](C)C3CC3)C[C@H]2C)CC1	ZINC000949914314	1003802397	/nfs/dbraw/zinc/80/23/97/1003802397.db2.gz	HXHJMXJTILRSRE-FRQCXROJSA-N	1	0	359.514	1.731	20	30		FDEDRO
C#CC1(O)CC[NH+](Cc2cc(=O)n3cc(Br)ccc3n2)CC1	ZINC000931145499	1003922570	/nfs/dbraw/zinc/92/25/70/1003922570.db2.gz	LFWPZXNUKRRSCS-UHFFFAOYSA-N	1	0	362.227	1.417	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccc(OCC(=O)NC)cc2C)CC1	ZINC000931237188	1003985651	/nfs/dbraw/zinc/98/56/51/1003985651.db2.gz	MROIFMRXMLUUIK-UHFFFAOYSA-N	1	0	358.442	1.339	20	30		FDEDRO
COc1cc(Br)cc(C[NH2+]CCn2cnc(C#N)n2)c1O	ZINC000796497616	1016847812	/nfs/dbraw/zinc/84/78/12/1016847812.db2.gz	MHZNJYZQXVZNHM-UHFFFAOYSA-N	1	0	352.192	1.416	20	30		FDEDRO
Cc1cc(NC(=O)N2CCN(C)CC[N@H+](C)CC2)c(C#N)cc1N(C)C	ZINC000931444726	1004168149	/nfs/dbraw/zinc/16/81/49/1004168149.db2.gz	WCOKNTFWKDQYNI-UHFFFAOYSA-N	1	0	358.490	1.644	20	30		FDEDRO
Cc1cc(NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c(C#N)cc1N(C)C	ZINC000931446914	1004170525	/nfs/dbraw/zinc/17/05/25/1004170525.db2.gz	WZFPQRWHJBTWDQ-ZWKOTPCHSA-N	1	0	371.485	1.996	20	30		FDEDRO
N#CCCN(C(=O)CN1CC[NH+](CCCCCO)CC1)c1ccccc1	ZINC000931499292	1004219442	/nfs/dbraw/zinc/21/94/42/1004219442.db2.gz	CYOGDFPKJAJJGD-UHFFFAOYSA-N	1	0	358.486	1.713	20	30		FDEDRO
C[NH+](C)CCn1nccc1NC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1	ZINC000931567142	1004272278	/nfs/dbraw/zinc/27/22/78/1004272278.db2.gz	OGMQOMKPRIKIJO-QGZVFWFLSA-N	1	0	368.441	1.922	20	30		FDEDRO
CCN(CCC[NH+](CC)CC)C(=O)C(=O)NCc1cc(C#N)ccc1F	ZINC000931595616	1004299283	/nfs/dbraw/zinc/29/92/83/1004299283.db2.gz	JPKGBVXAMVKKSA-UHFFFAOYSA-N	1	0	362.449	1.894	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H]([C@]2(C)COC(=O)N2)C1	ZINC000932029685	1004718614	/nfs/dbraw/zinc/71/86/14/1004718614.db2.gz	CFULBGGADZJPCD-VKJFTORMSA-N	1	0	362.474	1.928	20	30		FDEDRO
COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCC[C@@H](C#N)C3)CC2)cc1	ZINC000932153006	1004796657	/nfs/dbraw/zinc/79/66/57/1004796657.db2.gz	LZFMOZJFQMPPIJ-IBGZPJMESA-N	1	0	370.497	1.965	20	30		FDEDRO
C=CC1(CC(=O)NC2(C#N)CC[NH+](C)CC2)CN(C(=O)OC(C)(C)C)C1	ZINC000932177649	1004810397	/nfs/dbraw/zinc/81/03/97/1004810397.db2.gz	BANPSDQCESXZJW-UHFFFAOYSA-N	1	0	362.474	1.904	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Nc1ccc(C(=O)N=S(C)(C)=O)cc1	ZINC000932347877	1004919107	/nfs/dbraw/zinc/91/91/07/1004919107.db2.gz	IMIFDBUAFWIAAF-UHFFFAOYSA-N	1	0	364.471	1.631	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CCc1ccccc1)C2	ZINC001111030790	1004954690	/nfs/dbraw/zinc/95/46/90/1004954690.db2.gz	CIJSSMISKSSIGY-NJYVYQBISA-N	1	0	369.509	1.532	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2cnc(OC)c(C#N)c2)C1	ZINC000932512611	1004995592	/nfs/dbraw/zinc/99/55/92/1004995592.db2.gz	BSMZPHNDNJBAEE-MRXNPFEDSA-N	1	0	361.446	1.926	20	30		FDEDRO
COc1ncc(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1C#N	ZINC000932515854	1004997154	/nfs/dbraw/zinc/99/71/54/1004997154.db2.gz	OJNUUVDWRJNJOR-AWEZNQCLSA-N	1	0	359.430	1.538	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[NH+]2CCC(CN3CCNC3=O)CC2)cc1	ZINC000933577486	1005582113	/nfs/dbraw/zinc/58/21/13/1005582113.db2.gz	XGDUVEGPBICJLR-UHFFFAOYSA-N	1	0	354.454	1.734	20	30		FDEDRO
N#CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1	ZINC000933759630	1005631145	/nfs/dbraw/zinc/63/11/45/1005631145.db2.gz	SELAKCUWPWKLCX-UGSOOPFHSA-N	1	0	358.467	1.828	20	30		FDEDRO
CN1CCN(CC(=O)[C@H](C#N)c2nc3ccccc3s2)CC[N@H+](C)CC1	ZINC000933993533	1005674395	/nfs/dbraw/zinc/67/43/95/1005674395.db2.gz	WSUYOQXNRNEGIX-HNNXBMFYSA-N	1	0	371.510	1.652	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H]3[C@H]2CCCN3CCO)cc1	ZINC000934253671	1005721659	/nfs/dbraw/zinc/72/16/59/1005721659.db2.gz	GPHIMIQGQVOEFN-MISYRCLQSA-N	1	0	359.470	1.023	20	30		FDEDRO
CC(=O)[C@](C#N)(CCN1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)c1ccccc1	ZINC000934276671	1005727912	/nfs/dbraw/zinc/72/79/12/1005727912.db2.gz	VCTBXTUCCTVHIZ-NJDAHSKKSA-N	1	0	355.482	1.958	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@H+]2Cc3ncccc3N3CCC[C@H]3C2)CCOCC1	ZINC000934492484	1005751864	/nfs/dbraw/zinc/75/18/64/1005751864.db2.gz	NXSGHYBMMSJDBE-DLBZAZTESA-N	1	0	356.470	1.937	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CS(=O)(=O)N(CC)CC)C2	ZINC001111084324	1005819451	/nfs/dbraw/zinc/81/94/51/1005819451.db2.gz	FYEUXWIHGQAGAV-HZMVEIRTSA-N	1	0	371.547	1.734	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)c(=O)n(C)c1=O)C2	ZINC001111085009	1005822502	/nfs/dbraw/zinc/82/25/02/1005822502.db2.gz	ZUBJMFQGGWWKQY-OIISXLGYSA-N	1	0	374.485	1.166	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(N(C)C(=O)[C@]34C[C@H]3CCC4)CC2)CC1	ZINC000954145635	1006035620	/nfs/dbraw/zinc/03/56/20/1006035620.db2.gz	JQZPFSSLCZRENA-XMSQKQJNSA-N	1	0	371.525	1.971	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCC2CC2)nn1	ZINC001111122369	1006304380	/nfs/dbraw/zinc/30/43/80/1006304380.db2.gz	HDCUUMJBTLLWFJ-NUJGCVRESA-N	1	0	359.474	1.616	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1	ZINC000954277571	1006587782	/nfs/dbraw/zinc/58/77/82/1006587782.db2.gz	YZZQJACHVSPCRU-BZSNNMDCSA-N	1	0	363.502	1.510	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C[C@H](O)c1ccc(F)c(F)c1	ZINC000155543404	1006693502	/nfs/dbraw/zinc/69/35/02/1006693502.db2.gz	RCQLHAPNPWJHSZ-SJCJKPOMSA-N	1	0	359.380	1.871	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1	ZINC000954404701	1006722020	/nfs/dbraw/zinc/72/20/20/1006722020.db2.gz	LXOOTKGKVSCROJ-NXHRZFHOSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)n1cc(Cn2ccc(C[NH2+]CC)n2)nn1	ZINC000640923925	1006809018	/nfs/dbraw/zinc/80/90/18/1006809018.db2.gz	OZKGNHAPYGPYEK-HNNXBMFYSA-N	1	0	359.478	1.618	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)n1cc(CN2CC[NH2+]CC2)nn1	ZINC000640928741	1006818997	/nfs/dbraw/zinc/81/89/97/1006818997.db2.gz	IAYQSOOXOGTXDG-OAHLLOKOSA-N	1	0	374.514	1.521	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN(C)S(=O)(=O)CC)C2	ZINC001111204525	1006866594	/nfs/dbraw/zinc/86/65/94/1006866594.db2.gz	QUOVINKRMIGPPO-ZACQAIPSSA-N	1	0	373.563	1.960	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(CCCOC)c1)C2	ZINC001111248650	1007152959	/nfs/dbraw/zinc/15/29/59/1007152959.db2.gz	JOPBRJFDWKOQDS-KURKYZTESA-N	1	0	362.474	1.457	20	30		FDEDRO
CC(C)([NH3+])CCNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000641822685	1007172723	/nfs/dbraw/zinc/17/27/23/1007172723.db2.gz	XHELEYHYKAXFJS-UHFFFAOYSA-N	1	0	350.422	1.664	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)C2)CC1	ZINC000955000097	1007203778	/nfs/dbraw/zinc/20/37/78/1007203778.db2.gz	DRTGXPDWUXYCBB-YSIASYRMSA-N	1	0	371.525	1.827	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1	ZINC001114596339	1007224207	/nfs/dbraw/zinc/22/42/07/1007224207.db2.gz	UJGWPNWOBLAGFT-GJGATLCTSA-N	1	0	365.518	1.816	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1	ZINC000955339155	1007344887	/nfs/dbraw/zinc/34/48/87/1007344887.db2.gz	VPZPZCDNWTUQQW-AYBZRNKSSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCOC1CCOCC1)C2	ZINC001111264651	1007353126	/nfs/dbraw/zinc/35/31/26/1007353126.db2.gz	XTYGQARPTWPKJA-NXHRZFHOSA-N	1	0	352.475	1.496	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCC[NH+]2CCCCCC2)c1	ZINC000642354900	1007494949	/nfs/dbraw/zinc/49/49/49/1007494949.db2.gz	ULPUWHZMRPZJQS-UHFFFAOYSA-N	1	0	365.499	1.757	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@](C)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC000957012393	1007521020	/nfs/dbraw/zinc/52/10/20/1007521020.db2.gz	GLJULLFAUJMRMD-KKVAFCGZSA-N	1	0	354.454	1.124	20	30		FDEDRO
CN1C(=O)CC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C#N)cc1F	ZINC001095883959	1007610031	/nfs/dbraw/zinc/61/00/31/1007610031.db2.gz	KYQXPZQTIFTCDC-UBDQQSCGSA-N	1	0	370.428	1.540	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1	ZINC000947507877	1007657304	/nfs/dbraw/zinc/65/73/04/1007657304.db2.gz	UQCDBTQHZDKWRQ-JQHSSLGASA-N	1	0	363.502	1.417	20	30		FDEDRO
CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C#N)cn1	ZINC000188127805	1007707857	/nfs/dbraw/zinc/70/78/57/1007707857.db2.gz	IKVYWPXTIARDHV-FQEVSTJZSA-N	1	0	350.422	1.662	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1	ZINC000956052293	1007827608	/nfs/dbraw/zinc/82/76/08/1007827608.db2.gz	LPNXJFGNVXGFJC-MANSERQUSA-N	1	0	373.497	1.006	20	30		FDEDRO
C#CCCOc1ccc(CN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1	ZINC000093821217	1007994297	/nfs/dbraw/zinc/99/42/97/1007994297.db2.gz	CXPYDKGDYZDFKU-FQEVSTJZSA-N	1	0	355.482	1.827	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1	ZINC000643494639	1008118083	/nfs/dbraw/zinc/11/80/83/1008118083.db2.gz	SBSAEFIRQRZZPF-SJLPKXTDSA-N	1	0	357.454	1.420	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)nc1	ZINC000957457845	1008309560	/nfs/dbraw/zinc/30/95/60/1008309560.db2.gz	FPEZYUCNUCFXCS-ATZDWAIDSA-N	1	0	368.481	1.512	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)cc1	ZINC000646484150	1008821879	/nfs/dbraw/zinc/82/18/79/1008821879.db2.gz	NNIJKKYTUYDCGV-XJKSGUPXSA-N	1	0	351.472	1.316	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CCC)C2	ZINC001111309627	1008923038	/nfs/dbraw/zinc/92/30/38/1008923038.db2.gz	UFAYARLSFKCAHB-KURKYZTESA-N	1	0	364.534	1.474	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1	ZINC000950382587	1009109504	/nfs/dbraw/zinc/10/95/04/1009109504.db2.gz	RWZMLMSIWYYCBS-IXDOHACOSA-N	1	0	358.486	1.593	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2conc2C2CC2)C[C@H]1C	ZINC000958772114	1009111654	/nfs/dbraw/zinc/11/16/54/1009111654.db2.gz	OMFQQENVZJVONN-XYPHTWIQSA-N	1	0	370.453	1.226	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@@H](OC(C)(C)C)C2)CC1	ZINC000647028701	1009402731	/nfs/dbraw/zinc/40/27/31/1009402731.db2.gz	CUQCGIDZQQGPCS-IYBDPMFKSA-N	1	0	351.491	1.605	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCCCn3cncn3)C[C@H]21	ZINC001114857114	1009416132	/nfs/dbraw/zinc/41/61/32/1009416132.db2.gz	RHGVHMVDRAUSQN-ZBRFXRBCSA-N	1	0	359.474	1.086	20	30		FDEDRO
CCN(CC)[C@H](CNC(=[NH2+])NCCCN1CCOCC1)c1ccccc1	ZINC000303776917	1009576517	/nfs/dbraw/zinc/57/65/17/1009576517.db2.gz	ICFGSOFONHVGFS-LJQANCHMSA-N	1	0	361.534	1.696	20	30		FDEDRO
CCCCNC(=[NH2+])NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1	ZINC000303789975	1009584772	/nfs/dbraw/zinc/58/47/72/1009584772.db2.gz	WAHJOJAPHGFDML-MRXNPFEDSA-N	1	0	364.490	1.782	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(Nc3ccc(C#N)nc3)CC2)CC[N@@H+]1C	ZINC001111323414	1009610571	/nfs/dbraw/zinc/61/05/71/1009610571.db2.gz	ALBIDOVNZMENLY-DNVCBOLYSA-N	1	0	370.501	1.286	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COCCN1CC(F)F)C2	ZINC001095817177	1009875378	/nfs/dbraw/zinc/87/53/78/1009875378.db2.gz	VXIYWOCYCXCJCL-UGUYLWEFSA-N	1	0	357.445	1.640	20	30		FDEDRO
C=C(Cl)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC000960277478	1009902703	/nfs/dbraw/zinc/90/27/03/1009902703.db2.gz	CXDWDYDUGSEVDT-BNEJOLLZSA-N	1	0	363.889	1.830	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2C)cn1	ZINC000950987576	1010226631	/nfs/dbraw/zinc/22/66/31/1010226631.db2.gz	CMSQPNWWIDRIIR-OLMNPRSZSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C	ZINC000959653553	1010354088	/nfs/dbraw/zinc/35/40/88/1010354088.db2.gz	SSYXAFUVSSTFHO-IXDOHACOSA-N	1	0	358.486	1.735	20	30		FDEDRO
[NH2+]=C(NCCCOC[C@@H]1CCOC1)N1CCN(c2ccc(F)cc2)CC1	ZINC000304752732	1010478254	/nfs/dbraw/zinc/47/82/54/1010478254.db2.gz	KNDRFOHWEAGNGY-INIZCTEOSA-N	1	0	364.465	1.706	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3OCCN(C(=O)[C@@H]4CCCC[N@H+]4C)[C@H]3C2)C1	ZINC000960782363	1011374635	/nfs/dbraw/zinc/37/46/35/1011374635.db2.gz	SPFXIPUBLITRKK-YESZJQIVSA-N	1	0	361.486	1.265	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)CC3)[C@H]2C1	ZINC000960847595	1011542438	/nfs/dbraw/zinc/54/24/38/1011542438.db2.gz	QNKVBJKSDQXUOD-DLBZAZTESA-N	1	0	363.502	1.369	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@H]3[C@@H]2CCCN3C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC000962930730	1011685813	/nfs/dbraw/zinc/68/58/13/1011685813.db2.gz	JODXCWHQAMFWQE-WCZJQEMASA-N	1	0	369.469	1.432	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CCN3C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC000963150849	1011918286	/nfs/dbraw/zinc/91/82/86/1011918286.db2.gz	GPVCHMUSWQUVAO-LFVTVUPYSA-N	1	0	369.469	1.432	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CCN3C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC000963159247	1011940573	/nfs/dbraw/zinc/94/05/73/1011940573.db2.gz	XGWWIBMJCWZJGA-NKGKWGDASA-N	1	0	369.469	1.432	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@]3(CCN(C(=O)c4c[nH]c(C#N)c4)C3)C2)CC[N@@H+]1C	ZINC000953156805	1012287047	/nfs/dbraw/zinc/28/70/47/1012287047.db2.gz	NUGRUWSKABNKAU-ZTQAJYAQSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)nn3cccnc13)C2	ZINC001111412223	1012388206	/nfs/dbraw/zinc/38/82/06/1012388206.db2.gz	FLSKFTKKWJCFOP-OAGGEKHMSA-N	1	0	355.442	1.575	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ccc(C(N)=O)cc2)C1	ZINC000961847409	1012936275	/nfs/dbraw/zinc/93/62/75/1012936275.db2.gz	BHTSAYPSCWMMHA-AWRGBYNESA-N	1	0	371.481	1.751	20	30		FDEDRO
COc1ccc(C[NH2+]CC2CC(NC(=O)[C@]34C[C@H]3COC4)C2)cc1C#N	ZINC000961854256	1012946548	/nfs/dbraw/zinc/94/65/48/1012946548.db2.gz	CBALQJAMOPJTIO-VQEPCJJFSA-N	1	0	355.438	1.588	20	30		FDEDRO
C=CCC[C@H](NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1)c1ccccc1	ZINC000652689177	1017574326	/nfs/dbraw/zinc/57/43/26/1017574326.db2.gz	QHYFLMJAKONJEM-FGTMMUONSA-N	1	0	359.470	1.632	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C	ZINC000190833223	178026077	/nfs/dbraw/zinc/02/60/77/178026077.db2.gz	IZFAXGKUOQDTRH-XJKSGUPXSA-N	1	0	358.442	1.694	20	30		FDEDRO
COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000192888960	178137109	/nfs/dbraw/zinc/13/71/09/178137109.db2.gz	DSVWSSCFYLSVSN-UHFFFAOYSA-N	1	0	363.462	1.090	20	30		FDEDRO
C[C@@H]1CCNC(=O)[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000194054044	178196690	/nfs/dbraw/zinc/19/66/90/178196690.db2.gz	RUTHONYUSPWYSU-CRAIPNDOSA-N	1	0	369.469	1.300	20	30		FDEDRO
CC(C)OCC[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2C)CC1	ZINC000508414750	538932040	/nfs/dbraw/zinc/93/20/40/538932040.db2.gz	IGXVHBSDTWIYQB-UHFFFAOYSA-N	1	0	354.458	1.901	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCN([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)CCO1	ZINC000245995893	178395296	/nfs/dbraw/zinc/39/52/96/178395296.db2.gz	BCGMNIVLKQJZBZ-UZLBHIALSA-N	1	0	368.481	1.849	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C)c2C(=O)OC)CC1	ZINC000513016032	538984243	/nfs/dbraw/zinc/98/42/43/538984243.db2.gz	AOMAWNUDOBAAOH-UHFFFAOYSA-N	1	0	373.453	1.877	20	30		FDEDRO
C[NH+]1CCN(CCCNC(=O)CCCCOc2cccc(C#N)c2)CC1	ZINC000264760520	179191205	/nfs/dbraw/zinc/19/12/05/179191205.db2.gz	NMJPBBCINAAOTK-UHFFFAOYSA-N	1	0	358.486	1.861	20	30		FDEDRO
COC(=O)[C@H]1CC12CC[NH+]([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)CC2	ZINC000265055210	179276309	/nfs/dbraw/zinc/27/63/09/179276309.db2.gz	MDPCPKBKJBAUJS-IAGOWNOFSA-N	1	0	353.422	1.939	20	30		FDEDRO
Cn1c(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c(C#N)c(=O)n(C)c1=O	ZINC000265147179	179298254	/nfs/dbraw/zinc/29/82/54/179298254.db2.gz	RWAAZZZIOZDLSY-HNNXBMFYSA-N	1	0	353.426	1.032	20	30		FDEDRO
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NCC[NH+](C)C	ZINC000265375400	179357574	/nfs/dbraw/zinc/35/75/74/179357574.db2.gz	IBPCIZFQHKOAPT-UHFFFAOYSA-N	1	0	367.409	1.670	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1	ZINC000265360433	179351850	/nfs/dbraw/zinc/35/18/50/179351850.db2.gz	FGBWTZATWSJDNZ-OAHLLOKOSA-N	1	0	358.442	1.742	20	30		FDEDRO
CC(C)OCCOC[C@@H](O)CN(C)[C@@H](C)C(=O)Nc1cccc(C#N)c1	ZINC000265443569	179378365	/nfs/dbraw/zinc/37/83/65/179378365.db2.gz	ACEMBSQICHWOEH-YJBOKZPZSA-N	1	0	363.458	1.620	20	30		FDEDRO
COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCc1ccc(C#N)cc1	ZINC000524092354	539632724	/nfs/dbraw/zinc/63/27/24/539632724.db2.gz	FIKVLNWXZUMZSF-UHFFFAOYSA-N	1	0	366.421	1.883	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(c2cccc(C#N)n2)CC1)[N@@H+]1CCC[C@@H](C)C1	ZINC000546882650	542250061	/nfs/dbraw/zinc/25/00/61/542250061.db2.gz	KYZMRXRUNQXYPZ-SJORKVTESA-N	1	0	370.501	1.905	20	30		FDEDRO
Cn1cc(C[NH+]2CCC(S(N)(=O)=O)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000526958114	539693875	/nfs/dbraw/zinc/69/38/75/539693875.db2.gz	BTCDTMXUIJDODX-UHFFFAOYSA-N	1	0	359.455	1.212	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000268203972	180024600	/nfs/dbraw/zinc/02/46/00/180024600.db2.gz	YBKRKGUNTKXXFB-YOEHRIQHSA-N	1	0	354.458	1.268	20	30		FDEDRO
Cn1nccc1[C@@H]1CCC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000528356361	539752418	/nfs/dbraw/zinc/75/24/18/539752418.db2.gz	QWAPKBIVCMVEEB-MRXNPFEDSA-N	1	0	362.433	1.899	20	30		FDEDRO
C[NH+]1CCN(C[C@@H](NC(=O)Cc2ccc(C#N)nc2)c2ccccc2)CC1	ZINC000528396287	539756219	/nfs/dbraw/zinc/75/62/19/539756219.db2.gz	NFQRTCOXSNBOTR-HXUWFJFHSA-N	1	0	363.465	1.601	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC1(O)CC[NH+](C(C)C)CC1	ZINC000268504431	180099685	/nfs/dbraw/zinc/09/96/85/180099685.db2.gz	VVVCTQRLDIAYIS-UHFFFAOYSA-N	1	0	374.485	1.560	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@](CO)(c2ccccc2)C1	ZINC000528510027	539764431	/nfs/dbraw/zinc/76/44/31/539764431.db2.gz	OXJFEDNPDNBYNJ-PZJWPPBQSA-N	1	0	352.434	1.934	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2	ZINC000530236307	539916319	/nfs/dbraw/zinc/91/63/19/539916319.db2.gz	RKNMWWOFNVWABJ-MISYRCLQSA-N	1	0	371.481	1.531	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCN(Cc2ccccc2)C1=O	ZINC000530232326	539915436	/nfs/dbraw/zinc/91/54/36/539915436.db2.gz	YBUXFTCOBCBXMX-RBUKOAKNSA-N	1	0	365.433	1.689	20	30		FDEDRO
COc1ccc2c(c1)OC[C@H]([NH2+]C[C@H](O)COc1ccccc1C#N)C2	ZINC000530231176	539915888	/nfs/dbraw/zinc/91/58/88/539915888.db2.gz	FMEKEVAXEIIGQH-SJORKVTESA-N	1	0	354.406	1.900	20	30		FDEDRO
CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000274065038	181019873	/nfs/dbraw/zinc/01/98/73/181019873.db2.gz	QSWQVWFQRYGQII-ZIAGYGMSSA-N	1	0	369.425	1.860	20	30		FDEDRO
C=CCOc1ccc(C[NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1	ZINC000530633596	540013200	/nfs/dbraw/zinc/01/32/00/540013200.db2.gz	GJKVJARXYGDAAL-SFHVURJKSA-N	1	0	359.470	1.274	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@@H]1[NH+](C)C	ZINC000274833269	181172804	/nfs/dbraw/zinc/17/28/04/181172804.db2.gz	ZXAGZYMEZHUJTM-STQMWFEESA-N	1	0	359.904	1.878	20	30		FDEDRO
N#Cc1ncn(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1	ZINC000531765422	540116451	/nfs/dbraw/zinc/11/64/51/540116451.db2.gz	ZWOZNAHVGULTRM-ALOPSCKCSA-N	1	0	350.426	1.462	20	30		FDEDRO
CN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000532981098	540192736	/nfs/dbraw/zinc/19/27/36/540192736.db2.gz	DMSDMENEJOURFQ-GOSISDBHSA-N	1	0	364.453	1.851	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1	ZINC000546893737	542253727	/nfs/dbraw/zinc/25/37/27/542253727.db2.gz	FBTGWBAPGJDQOT-KRWDZBQOSA-N	1	0	370.501	1.763	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1	ZINC000275102930	181238973	/nfs/dbraw/zinc/23/89/73/181238973.db2.gz	LFONDSQHJKRCEV-UONOGXRCSA-N	1	0	371.359	1.298	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]4COCC[C@@H]43)CC2)o1	ZINC000533345947	540236242	/nfs/dbraw/zinc/23/62/42/540236242.db2.gz	IAIWLYPGDLKJDA-WBVHZDCISA-N	1	0	373.457	1.004	20	30		FDEDRO
CC(C)[N@H+](C)CCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000268732492	674096889	/nfs/dbraw/zinc/09/68/89/674096889.db2.gz	ANOOJEOTVZVAQH-AWEZNQCLSA-N	1	0	366.487	1.072	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCCNc1cc[nH+]cc1	ZINC000536019033	540539902	/nfs/dbraw/zinc/53/99/02/540539902.db2.gz	SQAOWVALLXLYOP-UHFFFAOYSA-N	1	0	367.409	1.329	20	30		FDEDRO
C[NH2+]CCCc1[n-][nH]c(=NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c1C#N	ZINC000536304597	540576951	/nfs/dbraw/zinc/57/69/51/540576951.db2.gz	BYXWIHKZPREWFS-UHFFFAOYSA-N	1	0	366.425	1.915	20	30		FDEDRO
N#Cc1cccc(C2(C(=O)NCCCC[NH+]3CCN(CCO)CC3)CC2)c1	ZINC000536177341	540562502	/nfs/dbraw/zinc/56/25/02/540562502.db2.gz	WCNGSGHJCWWGLG-UHFFFAOYSA-N	1	0	370.497	1.096	20	30		FDEDRO
COc1ccc([C@H](CC(=O)NC2(C#N)CC[NH+](C)CC2)NC(C)=O)cc1	ZINC000537904382	540789282	/nfs/dbraw/zinc/78/92/82/540789282.db2.gz	BPHCWWLRWFTJPH-KRWDZBQOSA-N	1	0	358.442	1.367	20	30		FDEDRO
N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCc3n[nH]cc3C2)CC1	ZINC000538378831	540849382	/nfs/dbraw/zinc/84/93/82/540849382.db2.gz	MOAKHJUBFYCEGS-INIZCTEOSA-N	1	0	370.482	1.238	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1CC[N@H+](Cc2ccccc2)[C@@H](CCC)C1	ZINC000538320536	540841690	/nfs/dbraw/zinc/84/16/90/540841690.db2.gz	LGMONCRQEFQLDS-SFHVURJKSA-N	1	0	358.486	1.985	20	30		FDEDRO
C=CCCOCCCCC(=O)N1CCC[C@H]1C(=O)N1CCN(C)CC1	ZINC000538419451	540855360	/nfs/dbraw/zinc/85/53/60/540855360.db2.gz	NFGWDBQCHCYBQE-KRWDZBQOSA-N	1	0	351.491	1.514	20	30		FDEDRO
N#CC1(NC(=O)[C@H](O)C2CCOCC2)CC[NH+](Cc2ccccc2)CC1	ZINC000538699961	540881797	/nfs/dbraw/zinc/88/17/97/540881797.db2.gz	YCJMLLOBGDBXJB-GOSISDBHSA-N	1	0	357.454	1.448	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)[C@H](C[NH2+]Cc2ccc(C#N)s2)C1	ZINC001087198435	781941495	/nfs/dbraw/zinc/94/14/95/781941495.db2.gz	MBACIAVYVRALPM-DVOMOZLQSA-N	1	0	360.483	1.473	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)NCC[N@@H+]1CCCOCC1	ZINC000275492901	181333110	/nfs/dbraw/zinc/33/31/10/181333110.db2.gz	AXMZFCFMBPGUTF-UHFFFAOYSA-N	1	0	362.430	1.427	20	30		FDEDRO
CC#CCCNC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C	ZINC000543607198	541619875	/nfs/dbraw/zinc/61/98/75/541619875.db2.gz	HLUAIXGQPNUJET-UHFFFAOYSA-N	1	0	365.499	1.368	20	30		FDEDRO
C[C@H](C#N)CNC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1	ZINC000543805667	541664665	/nfs/dbraw/zinc/66/46/65/541664665.db2.gz	SGAKJGIGXGOHBW-MRXNPFEDSA-N	1	0	359.474	1.618	20	30		FDEDRO
Cc1nn(-c2cc[nH+]cc2)cc1CN1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000544350592	541757939	/nfs/dbraw/zinc/75/79/39/541757939.db2.gz	FSWYEWFXUROMAJ-OAHLLOKOSA-N	1	0	374.452	1.948	20	30		FDEDRO
CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)n1cnc(C#N)n1)c1cccc(OC)c1	ZINC000545257460	541915818	/nfs/dbraw/zinc/91/58/18/541915818.db2.gz	VULGQIGWUGAOPQ-RHSMWYFYSA-N	1	0	370.457	1.919	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C	ZINC000284083926	182359915	/nfs/dbraw/zinc/35/99/15/182359915.db2.gz	PTCIDWQEOQGLMG-IBGZPJMESA-N	1	0	364.449	1.936	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)NCc1cccc(C#N)c1)c1cccc(F)c1	ZINC000284120525	182371498	/nfs/dbraw/zinc/37/14/98/182371498.db2.gz	VIRJDJNEHGVQDK-SFHVURJKSA-N	1	0	368.412	1.733	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000286397975	183055972	/nfs/dbraw/zinc/05/59/72/183055972.db2.gz	UCMFANBUAKUSOF-MRXNPFEDSA-N	1	0	362.449	1.608	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)cc1	ZINC000546580767	542172038	/nfs/dbraw/zinc/17/20/38/542172038.db2.gz	OWQCHEYFGYWTHG-UHFFFAOYSA-N	1	0	370.453	1.309	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)n1	ZINC000286780548	183142478	/nfs/dbraw/zinc/14/24/78/183142478.db2.gz	YWGCXSXRDRQMOC-INIZCTEOSA-N	1	0	353.430	1.286	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(C#N)o1	ZINC000286842309	183156371	/nfs/dbraw/zinc/15/63/71/183156371.db2.gz	KMBFEXPNBIAMPT-UHFFFAOYSA-N	1	0	358.423	1.775	20	30		FDEDRO
CCc1ccc([C@@H](CNC(=O)NCCn2cnc(C#N)n2)[NH+](C)C)cc1	ZINC000287245506	183244298	/nfs/dbraw/zinc/24/42/98/183244298.db2.gz	SZXFIRAIFKXUTA-MRXNPFEDSA-N	1	0	355.446	1.314	20	30		FDEDRO
CSC[C@@H](C)NC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000287673297	183352970	/nfs/dbraw/zinc/35/29/70/183352970.db2.gz	BTNFPKUVXXJXIO-OAHLLOKOSA-N	1	0	374.510	1.460	20	30		FDEDRO
CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000287732768	183370020	/nfs/dbraw/zinc/37/00/20/183370020.db2.gz	SCLGFYSOLASGRL-UHFFFAOYSA-N	1	0	353.220	1.327	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C	ZINC000288117764	183399278	/nfs/dbraw/zinc/39/92/78/183399278.db2.gz	NGMJYRKBCYFMDK-GDBMZVCRSA-N	1	0	370.453	1.981	20	30		FDEDRO
COC[C@@]1(C(=O)OC)CC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000295224119	184046719	/nfs/dbraw/zinc/04/67/19/184046719.db2.gz	VZKQNEMYAMASBP-QFBILLFUSA-N	1	0	357.410	1.175	20	30		FDEDRO
CCOC[C@H](C)CS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000295269177	184052634	/nfs/dbraw/zinc/05/26/34/184052634.db2.gz	ZARXQDPLMGIWMD-INIZCTEOSA-N	1	0	367.515	1.924	20	30		FDEDRO
N#Cc1c(NC(=O)CC[N@H+]2CCOC[C@@H](O)C2)sc2c1CCCCC2	ZINC000295668273	184092855	/nfs/dbraw/zinc/09/28/55/184092855.db2.gz	RBTUARANMFCNBG-ZDUSSCGKSA-N	1	0	363.483	1.910	20	30		FDEDRO
CCn1c(CC[NH3+])nnc1Sc1ncc(Br)cc1C#N	ZINC000297384528	184264924	/nfs/dbraw/zinc/26/49/24/184264924.db2.gz	DRVHMXCCSUCYJA-UHFFFAOYSA-N	1	0	353.249	1.980	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1	ZINC000297964986	184364949	/nfs/dbraw/zinc/36/49/49/184364949.db2.gz	GCNCYLLUDAVXSM-UHFFFAOYSA-N	1	0	354.454	1.603	20	30		FDEDRO
CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N(C)Cc1ccc(C#N)cc1	ZINC000297983416	184368890	/nfs/dbraw/zinc/36/88/90/184368890.db2.gz	UUIBHWVIBHBBIJ-GOSISDBHSA-N	1	0	356.470	1.849	20	30		FDEDRO
CC[C@H](CNC(=O)[C@H](C)n1cnc(C#N)n1)[N@@H+]1CCc2ccccc2C1	ZINC000547380330	542325261	/nfs/dbraw/zinc/32/52/61/542325261.db2.gz	RINVKZHKBFGKCQ-WMLDXEAASA-N	1	0	352.442	1.664	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1	ZINC000547417514	542335915	/nfs/dbraw/zinc/33/59/15/542335915.db2.gz	JVCDXYUATCDVQE-OAHLLOKOSA-N	1	0	358.442	1.742	20	30		FDEDRO
C[NH+](C)CC1(CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CCCC1	ZINC000185172291	177676784	/nfs/dbraw/zinc/67/67/84/177676784.db2.gz	RIGJKTXKFCGSGF-UHFFFAOYSA-N	1	0	370.501	1.907	20	30		FDEDRO
C[NH+]1CCC(CCNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1	ZINC000171379439	258266323	/nfs/dbraw/zinc/26/63/23/258266323.db2.gz	AOAPHCCQMXHBJI-UHFFFAOYSA-N	1	0	356.474	1.517	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@H]1CO	ZINC000172342397	258274504	/nfs/dbraw/zinc/27/45/04/258274504.db2.gz	ZUIZIMJNCNHTBM-INIZCTEOSA-N	1	0	358.442	1.158	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2ccc(C#N)c(Cl)c2)CC1	ZINC000548304006	542616681	/nfs/dbraw/zinc/61/66/81/542616681.db2.gz	GBLYHOAGLGRXAJ-UHFFFAOYSA-N	1	0	362.861	1.884	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000173217237	258293802	/nfs/dbraw/zinc/29/38/02/258293802.db2.gz	MFBCSVWUPJYVPM-HNNXBMFYSA-N	1	0	354.410	1.368	20	30		FDEDRO
CCNC(=O)c1ccc(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cc1	ZINC000548908176	542803137	/nfs/dbraw/zinc/80/31/37/542803137.db2.gz	CLTNLSWGYXKTGG-UHFFFAOYSA-N	1	0	371.462	1.871	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]CCOc2ccc3c(c2)OCO3)cc1	ZINC000548948761	542812932	/nfs/dbraw/zinc/81/29/32/542812932.db2.gz	MJHDBCJAEQVBTB-MRXNPFEDSA-N	1	0	370.405	1.890	20	30		FDEDRO
CC(=O)NCC[N@H+](CC(=O)NC1(C#N)CCCCC1)C1CCSCC1	ZINC000549080319	542832746	/nfs/dbraw/zinc/83/27/46/542832746.db2.gz	WMBFQMAVJIGDGX-UHFFFAOYSA-N	1	0	366.531	1.663	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)CC1	ZINC000550433973	543100686	/nfs/dbraw/zinc/10/06/86/543100686.db2.gz	ZWURSAQVFUPZHH-UYAOXDASSA-N	1	0	364.534	1.409	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@@]1(C)CO)C(C)C	ZINC000551220910	543253929	/nfs/dbraw/zinc/25/39/29/543253929.db2.gz	DZLMMNGCQSBEBS-APWZRJJASA-N	1	0	351.491	1.175	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CCc2c[nH]nc2C1)C(C)C	ZINC000551220635	543254088	/nfs/dbraw/zinc/25/40/88/543254088.db2.gz	CNDDERPSFVSGBX-SJLPKXTDSA-N	1	0	373.501	1.198	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000551693638	543323619	/nfs/dbraw/zinc/32/36/19/543323619.db2.gz	QVCLLHGXMBLYNR-MOPGFXCFSA-N	1	0	364.449	1.875	20	30		FDEDRO
N#CC1(NC(=O)[C@H]2CCc3nncn3C2)CC[NH+](Cc2ccccc2)CC1	ZINC000551829445	543348253	/nfs/dbraw/zinc/34/82/53/543348253.db2.gz	KVPZBYYIRZNHFP-KRWDZBQOSA-N	1	0	364.453	1.515	20	30		FDEDRO
COCCO[C@@H]1COCC[C@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1	ZINC000552066337	543413302	/nfs/dbraw/zinc/41/33/02/543413302.db2.gz	GATVWYSGWNCOCT-WOJBJXKFSA-N	1	0	359.470	1.937	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cc1	ZINC000552143777	543424716	/nfs/dbraw/zinc/42/47/16/543424716.db2.gz	HQDOHMKPKSRRMZ-JKSUJKDBSA-N	1	0	363.483	1.460	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1CCC(C[NH+](C)C)CC1	ZINC000552771899	543516374	/nfs/dbraw/zinc/51/63/74/543516374.db2.gz	SHCGOVQDQSNGOP-UHFFFAOYSA-N	1	0	356.470	1.753	20	30		FDEDRO
CC[NH+]1CCC(CCNC(=O)N2CCN(c3ncccc3C#N)CC2)CC1	ZINC000074713453	172085109	/nfs/dbraw/zinc/08/51/09/172085109.db2.gz	CQYSASDUZACITP-UHFFFAOYSA-N	1	0	370.501	1.907	20	30		FDEDRO
N#Cc1ccccc1OCC(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1	ZINC000089962314	172254409	/nfs/dbraw/zinc/25/44/09/172254409.db2.gz	AKIPUZDIBPITEW-RTBURBONSA-N	1	0	365.433	1.689	20	30		FDEDRO
CC(C)C[C@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)[NH+](C)C	ZINC000091193415	172276728	/nfs/dbraw/zinc/27/67/28/172276728.db2.gz	QOPHHPBCVMHWSZ-CQSZACIVSA-N	1	0	362.478	1.541	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1	ZINC000091229302	172279422	/nfs/dbraw/zinc/27/94/22/172279422.db2.gz	CXPJMMJLRACQHM-CQSZACIVSA-N	1	0	374.489	1.685	20	30		FDEDRO
CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1	ZINC000091242076	172281381	/nfs/dbraw/zinc/28/13/81/172281381.db2.gz	YOICYMKLRVRJPV-CQSZACIVSA-N	1	0	374.489	1.639	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2cnc3ccc(C#N)cn23)CC1	ZINC000093147228	172312069	/nfs/dbraw/zinc/31/20/69/172312069.db2.gz	KNVFTOBIBIRRLP-GOSISDBHSA-N	1	0	352.486	1.808	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1	ZINC000101640383	172338950	/nfs/dbraw/zinc/33/89/50/172338950.db2.gz	BNQDNXHAPDKVIN-UHFFFAOYSA-N	1	0	373.476	1.374	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)N1CCN(c2ccccc2C#N)CC1	ZINC000101793575	172342452	/nfs/dbraw/zinc/34/24/52/172342452.db2.gz	XHELXTRNLLLWQP-UHFFFAOYSA-N	1	0	359.474	1.358	20	30		FDEDRO
C[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(C#N)cc1	ZINC000102046915	172344976	/nfs/dbraw/zinc/34/49/76/172344976.db2.gz	DUNZOUMFSPBJCE-CRAIPNDOSA-N	1	0	371.485	1.861	20	30		FDEDRO
C[C@@H](CNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[N@H+](C)C1CC1	ZINC000105237158	172399282	/nfs/dbraw/zinc/39/92/82/172399282.db2.gz	ZYWXQGBUHZZRDJ-AWEZNQCLSA-N	1	0	356.474	1.704	20	30		FDEDRO
C[C@@H]1C[C@@H](CNc2c(C#N)c(=O)n(C)c(=O)n2C)C[N@@H+]1Cc1ccccc1	ZINC000128312672	173106523	/nfs/dbraw/zinc/10/65/23/173106523.db2.gz	GAKWJVIYMRMBEV-ZBFHGGJFSA-N	1	0	367.453	1.278	20	30		FDEDRO
N#Cc1ccc(NC(=O)CN2CC[C@@H](C[NH+]3CCOCC3)C2)cc1Cl	ZINC000129194239	173130881	/nfs/dbraw/zinc/13/08/81/173130881.db2.gz	RULYLGDITPUKEW-AWEZNQCLSA-N	1	0	362.861	1.804	20	30		FDEDRO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)C1	ZINC000132436022	173231441	/nfs/dbraw/zinc/23/14/41/173231441.db2.gz	DNTPXBHEYNAGTH-WBVHZDCISA-N	1	0	356.474	1.514	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000141455503	173376434	/nfs/dbraw/zinc/37/64/34/173376434.db2.gz	KSXUEXDJBDTICO-YJBOKZPZSA-N	1	0	369.469	1.124	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1	ZINC000175796791	174028792	/nfs/dbraw/zinc/02/87/92/174028792.db2.gz	SXINLDPYEYKEQD-TZMCWYRMSA-N	1	0	356.426	1.637	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3cccc(C#N)c3C)C2)CC1	ZINC000178469741	174189585	/nfs/dbraw/zinc/18/95/85/174189585.db2.gz	BQHUKELYOQXAIS-QGZVFWFLSA-N	1	0	369.469	1.044	20	30		FDEDRO
Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2	ZINC000179989302	258360711	/nfs/dbraw/zinc/36/07/11/258360711.db2.gz	CRLAOQNGAMTUAS-WBVHZDCISA-N	1	0	350.426	1.558	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C3CC3)CC2)cc1C#N	ZINC000179034196	258342658	/nfs/dbraw/zinc/34/26/58/258342658.db2.gz	LNKSZPGBNATVLQ-UHFFFAOYSA-N	1	0	370.453	1.981	20	30		FDEDRO
CC1(C)CN(CCNC(=O)Nc2cnn(-c3ncccc3C#N)c2)CCO1	ZINC000184602083	258382416	/nfs/dbraw/zinc/38/24/16/258382416.db2.gz	ZELZLOSTYGGVQP-UHFFFAOYSA-N	1	0	369.429	1.371	20	30		FDEDRO
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)n1	ZINC000190033405	258388250	/nfs/dbraw/zinc/38/82/50/258388250.db2.gz	RZVFCWHMCHUOAJ-HNNXBMFYSA-N	1	0	372.473	1.535	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N(C)CC3CC[NH+](C)CC3)CC2)o1	ZINC000280586421	258610177	/nfs/dbraw/zinc/61/01/77/258610177.db2.gz	SMPYPHVUPJCIBM-UHFFFAOYSA-N	1	0	359.474	1.871	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)NCC3(C)CC[NH+](C)CC3)CC2)o1	ZINC000281133776	258643325	/nfs/dbraw/zinc/64/33/25/258643325.db2.gz	IZJUJRLVPKMRPJ-UHFFFAOYSA-N	1	0	359.474	1.919	20	30		FDEDRO
CCN1CCOC[C@H]1C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000553205446	543587119	/nfs/dbraw/zinc/58/71/19/543587119.db2.gz	IYFAULWDRIOFOI-KRWDZBQOSA-N	1	0	361.417	1.788	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CNc3c(C#N)cnn3C2)cc1NC(C)=O	ZINC000553423941	543633403	/nfs/dbraw/zinc/63/34/03/543633403.db2.gz	HZZDXKTZCSUMEN-CQSZACIVSA-N	1	0	354.414	1.553	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1	ZINC000553359873	543618391	/nfs/dbraw/zinc/61/83/91/543618391.db2.gz	FKNALZCCLZNDPH-INIZCTEOSA-N	1	0	359.470	1.970	20	30		FDEDRO
C[C@@H](NC(=O)COc1ccccc1C#N)C(=O)NCC[NH+]1CCCCC1	ZINC000555532422	543966780	/nfs/dbraw/zinc/96/67/80/543966780.db2.gz	RWEQWXNYDAZSCC-OAHLLOKOSA-N	1	0	358.442	1.044	20	30		FDEDRO
CC(C)(C#N)CCS(=O)(=O)NCc1ccnc(N2CCOCC2)c1	ZINC000555948158	544061108	/nfs/dbraw/zinc/06/11/08/544061108.db2.gz	XMZUOUOEAAITEC-UHFFFAOYSA-N	1	0	352.460	1.277	20	30		FDEDRO
CCC(CC)[C@H](CNS(=O)(=O)CCC(C)(C)C#N)N1CCOCC1	ZINC000555947975	544061314	/nfs/dbraw/zinc/06/13/14/544061314.db2.gz	MSBISUWGVFURPK-INIZCTEOSA-N	1	0	359.536	1.983	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCSC[C@H]1C)C(C)C	ZINC000556207976	544118143	/nfs/dbraw/zinc/11/81/43/544118143.db2.gz	PJDBGWITWBDCAO-CVEARBPZSA-N	1	0	353.532	1.765	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC(C)(C)OC[C@@H]1C)C(C)C	ZINC000556209046	544118232	/nfs/dbraw/zinc/11/82/32/544118232.db2.gz	UJVCFMJCXFOWJL-DLBZAZTESA-N	1	0	365.518	1.827	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1	ZINC000556482751	544147809	/nfs/dbraw/zinc/14/78/09/544147809.db2.gz	JTPSCXYAGXDPKC-DHSIGJKJSA-N	1	0	354.454	1.994	20	30		FDEDRO
C[C@H]1C[NH2+]CC[C@H]1NC(=O)NC1CCC(Oc2ncccc2C#N)CC1	ZINC000557205512	544263008	/nfs/dbraw/zinc/26/30/08/544263008.db2.gz	YMASVFKCOZPFDK-YJNKEBTESA-N	1	0	357.458	1.940	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[C@H](SCC)C2)CC1	ZINC000557732080	544337945	/nfs/dbraw/zinc/33/79/45/544337945.db2.gz	UNFMOOCUJZHMDD-CVEARBPZSA-N	1	0	353.532	1.886	20	30		FDEDRO
Cc1cc(C[N@@H+]2C[C@@H](O)[C@@H](N(C)CC(=O)OC(C)(C)C)C2)ccc1C#N	ZINC000558109333	544385709	/nfs/dbraw/zinc/38/57/09/544385709.db2.gz	OVUCXHCGVDGTBR-ZWKOTPCHSA-N	1	0	359.470	1.685	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000558211354	544400811	/nfs/dbraw/zinc/40/08/11/544400811.db2.gz	ZHMOXVQHONPUIB-MAUKXSAKSA-N	1	0	356.470	1.896	20	30		FDEDRO
CC[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@H]1CCOC1	ZINC000558661532	544495037	/nfs/dbraw/zinc/49/50/37/544495037.db2.gz	JXXLFDURJASANZ-HOTGVXAUSA-N	1	0	362.499	1.568	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC(C#N)(c2ccccn2)CC1	ZINC000558581299	544473220	/nfs/dbraw/zinc/47/32/20/544473220.db2.gz	ZUOBOIIBWWJKIH-QGZVFWFLSA-N	1	0	370.501	1.284	20	30		FDEDRO
CCC[N@H+](CC)CCNC(=O)N1CCN(c2snc(C)c2C#N)CC1	ZINC000558605405	544480061	/nfs/dbraw/zinc/48/00/61/544480061.db2.gz	KNUPOIJPCCMKEC-UHFFFAOYSA-N	1	0	364.519	1.887	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCc1ccco1	ZINC000559423940	544680361	/nfs/dbraw/zinc/68/03/61/544680361.db2.gz	WMXMEUFLZLITGZ-UHFFFAOYSA-N	1	0	368.437	1.400	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCO[C@H]2CCCC[C@H]2C)CC1	ZINC000559821209	544809792	/nfs/dbraw/zinc/80/97/92/544809792.db2.gz	PRNVFKSCFIAIEF-AEFFLSMTSA-N	1	0	365.518	1.855	20	30		FDEDRO
CN1CCC[C@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1=O	ZINC000560243870	544925662	/nfs/dbraw/zinc/92/56/62/544925662.db2.gz	MOZUBGMCDOQULO-QGZVFWFLSA-N	1	0	354.454	1.529	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1	ZINC000289261481	258809923	/nfs/dbraw/zinc/80/99/23/258809923.db2.gz	GMHDWUOZHZXWEE-UHFFFAOYSA-N	1	0	356.470	1.755	20	30		FDEDRO
C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1	ZINC000293391715	258873278	/nfs/dbraw/zinc/87/32/78/258873278.db2.gz	LVBATLYNKRNROA-SNVBAGLBSA-N	1	0	365.231	1.327	20	30		FDEDRO
CC[C@@H]1CN([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@H]1N1CCOCC1	ZINC000330193508	259132489	/nfs/dbraw/zinc/13/24/89/259132489.db2.gz	ALKSOZAKCMQLAX-DJIMGWMZSA-N	1	0	374.510	1.768	20	30		FDEDRO
N#Cc1cccc(-c2nnc(CN3CC[NH+](C[C@H]4CCOC4)CC3)o2)c1	ZINC000330256744	259135461	/nfs/dbraw/zinc/13/54/61/259135461.db2.gz	KWNZGBZXYDPVKD-MRXNPFEDSA-N	1	0	353.426	1.762	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000331765767	259218580	/nfs/dbraw/zinc/21/85/80/259218580.db2.gz	CUWJOMSUOBCXHU-INIZCTEOSA-N	1	0	355.442	1.542	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1	ZINC000332107580	259242122	/nfs/dbraw/zinc/24/21/22/259242122.db2.gz	ZVXOSQPIAPTAAS-IRXDYDNUSA-N	1	0	369.513	1.986	20	30		FDEDRO
CC(C)(C)c1csc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1C#N	ZINC000332133759	259244076	/nfs/dbraw/zinc/24/40/76/259244076.db2.gz	KJNHSSISXBGODC-RYUDHWBXSA-N	1	0	360.483	1.924	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000332331579	259258064	/nfs/dbraw/zinc/25/80/64/259258064.db2.gz	QWDQFOKGXVDSPL-RBUKOAKNSA-N	1	0	355.486	1.868	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000333071552	259305320	/nfs/dbraw/zinc/30/53/20/259305320.db2.gz	AASNAMAUHYZVFN-TZMCWYRMSA-N	1	0	360.483	1.941	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)N2CCC(n3ncc4c3C[NH2+]C4)CC2)c1	ZINC000333236400	259325704	/nfs/dbraw/zinc/32/57/04/259325704.db2.gz	AFSQMGMUZOPNMD-UHFFFAOYSA-N	1	0	357.439	1.384	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1	ZINC000333494735	259353832	/nfs/dbraw/zinc/35/38/32/259353832.db2.gz	DRPFPOYCKFTKTH-SJLPKXTDSA-N	1	0	363.483	1.774	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)C2=O)cc1	ZINC000333599128	259362258	/nfs/dbraw/zinc/36/22/58/259362258.db2.gz	PIYIYJTXAVAGPE-MHORFTMASA-N	1	0	367.453	1.038	20	30		FDEDRO
N#Cc1c(F)cccc1N1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1	ZINC000333893301	259390783	/nfs/dbraw/zinc/39/07/83/259390783.db2.gz	HKFPLMWEGIOAOE-BZUAXINKSA-N	1	0	371.460	1.917	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)nc1	ZINC000333917587	259393146	/nfs/dbraw/zinc/39/31/46/259393146.db2.gz	NWBJKJMOVLVPJV-IXDOHACOSA-N	1	0	354.458	1.173	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)ccc1F	ZINC000286250787	675893228	/nfs/dbraw/zinc/89/32/28/675893228.db2.gz	VDNHCUXUIVSOHR-BFQNTYOBSA-N	1	0	369.462	1.406	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCC(=O)N[C@H]3C3CC3)C2=O)cc1	ZINC000367375093	260032168	/nfs/dbraw/zinc/03/21/68/260032168.db2.gz	PLDSZBDUWNDODA-AOIWGVFYSA-N	1	0	352.438	1.700	20	30		FDEDRO
COC(=O)[C@H]1CN(N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C[C@@H]1C1CC1	ZINC000367572500	260063163	/nfs/dbraw/zinc/06/31/63/260063163.db2.gz	AIBKYPDAFFBTGR-UXHICEINSA-N	1	0	370.497	1.968	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)c1	ZINC000367831942	260097521	/nfs/dbraw/zinc/09/75/21/260097521.db2.gz	LVZCLALEMUFXDN-CYBMUJFWSA-N	1	0	370.272	1.741	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH2+]C3CCS(=O)(=O)CC3)C2)c(F)c1	ZINC000368262151	260158027	/nfs/dbraw/zinc/15/80/27/260158027.db2.gz	VYOIYWSRNAAFGZ-HNNXBMFYSA-N	1	0	351.447	1.833	20	30		FDEDRO
CC(C)(O)C[N@@H+]1CCCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1	ZINC000368817930	260241447	/nfs/dbraw/zinc/24/14/47/260241447.db2.gz	OLZPCCGUMYXODP-UHFFFAOYSA-N	1	0	371.890	1.679	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC(n3cnc(C#N)n3)CC2)C1	ZINC000369141620	260300993	/nfs/dbraw/zinc/30/09/93/260300993.db2.gz	CWMNTGDIEAZEJN-OAHLLOKOSA-N	1	0	359.478	1.474	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC(O)(C[NH+]2CCOCC2)CC1	ZINC000369271450	260328392	/nfs/dbraw/zinc/32/83/92/260328392.db2.gz	QWJCMRCERFKSBT-MRXNPFEDSA-N	1	0	372.469	1.044	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1	ZINC000371765165	260763212	/nfs/dbraw/zinc/76/32/12/260763212.db2.gz	HYZQOJUTCZHHNK-INIZCTEOSA-N	1	0	373.453	1.011	20	30		FDEDRO
N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)NCC[NH+]2CCCCC2)c1	ZINC000372802055	260931770	/nfs/dbraw/zinc/93/17/70/260931770.db2.gz	XDNCPHIAPJEPQJ-GOSISDBHSA-N	1	0	354.454	1.651	20	30		FDEDRO
Cc1ccc(OC[C@H](O)C[NH+]2CCC(n3cnc(C#N)n3)CC2)c(C)c1	ZINC000373401461	261007790	/nfs/dbraw/zinc/00/77/90/261007790.db2.gz	YJNINMYRZXDGEQ-QGZVFWFLSA-N	1	0	355.442	1.843	20	30		FDEDRO
C[C@@H](C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)n1cnc(C#N)n1	ZINC000409783726	262140033	/nfs/dbraw/zinc/14/00/33/262140033.db2.gz	CACSOKUQSSDXPC-DOTOQJQBSA-N	1	0	352.442	1.834	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)cn1	ZINC000892187577	782068423	/nfs/dbraw/zinc/06/84/23/782068423.db2.gz	LXTMBZVZAOIAFN-BZUAXINKSA-N	1	0	354.458	1.173	20	30		FDEDRO
CC[C@@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)c1ccco1	ZINC000506975082	490159259	/nfs/dbraw/zinc/15/92/59/490159259.db2.gz	SORIQIABCXPPGD-KGLIPLIRSA-N	1	0	372.429	1.574	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCCC2)nn1CCC#N	ZINC000504043234	490786691	/nfs/dbraw/zinc/78/66/91/490786691.db2.gz	JNXQVOYREPOVPT-UHFFFAOYSA-N	1	0	360.462	1.424	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)nn1CCC#N	ZINC000505027119	490817218	/nfs/dbraw/zinc/81/72/18/490817218.db2.gz	NXKTXNVXGTWXJC-INIZCTEOSA-N	1	0	372.473	1.234	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)nn1CCC#N	ZINC000505021586	490817549	/nfs/dbraw/zinc/81/75/49/490817549.db2.gz	VGETYSAGVFLASS-MRXNPFEDSA-N	1	0	372.473	1.424	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)NC3(C[NH3+])CCOCC3)n2)c(F)c1	ZINC000528690415	490820088	/nfs/dbraw/zinc/82/00/88/490820088.db2.gz	XAHGHYDUFSECPL-UHFFFAOYSA-N	1	0	358.377	1.512	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1	ZINC000543891873	490950666	/nfs/dbraw/zinc/95/06/66/490950666.db2.gz	AYUMCUPRFZBINH-CQSZACIVSA-N	1	0	371.420	1.250	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)n2)c(F)c1	ZINC000543958478	490952839	/nfs/dbraw/zinc/95/28/39/490952839.db2.gz	KOIHKFUCHZTPCW-INIZCTEOSA-N	1	0	354.389	1.211	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c(F)c1	ZINC000609619061	492216464	/nfs/dbraw/zinc/21/64/64/492216464.db2.gz	AOZCNYMGFYZEHE-UHFFFAOYSA-N	1	0	364.340	1.533	20	30		FDEDRO
C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CCc3cc(C#N)ccc32)n1	ZINC000618881425	492242079	/nfs/dbraw/zinc/24/20/79/492242079.db2.gz	YWMUTYREYRZUEG-MRXNPFEDSA-N	1	0	366.425	1.059	20	30		FDEDRO
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1	ZINC000611359019	492286459	/nfs/dbraw/zinc/28/64/59/492286459.db2.gz	CYAFGNDYQANHQL-KGLIPLIRSA-N	1	0	358.446	1.191	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1	ZINC000024803337	519016472	/nfs/dbraw/zinc/01/64/72/519016472.db2.gz	STOLJDWOTBJNNN-HNNXBMFYSA-N	1	0	365.499	1.755	20	30		FDEDRO
CNC(=O)C1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1	ZINC000024898993	519022003	/nfs/dbraw/zinc/02/20/03/519022003.db2.gz	PGRCKRXOKHLWGW-UHFFFAOYSA-N	1	0	360.483	1.895	20	30		FDEDRO
Cn1c(NCc2cccc(C[NH+]3CCCC3)c2)c(C#N)c(=O)n(C)c1=O	ZINC000025502912	519065423	/nfs/dbraw/zinc/06/54/23/519065423.db2.gz	ZQZXIATWSUHHFH-UHFFFAOYSA-N	1	0	353.426	1.164	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)NCC[NH+](C(C)C)C(C)C)c1	ZINC000032244565	519487578	/nfs/dbraw/zinc/48/75/78/519487578.db2.gz	UDQZTZBKZQSCKL-UHFFFAOYSA-N	1	0	365.499	1.447	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H](CNC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C1	ZINC000069139268	521815445	/nfs/dbraw/zinc/81/54/45/521815445.db2.gz	MRKSRHWPDUGAHQ-INIZCTEOSA-N	1	0	368.485	1.999	20	30		FDEDRO
CCCNC(=O)CCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000069155136	521823357	/nfs/dbraw/zinc/82/33/57/521823357.db2.gz	CGKFUZGZRAZGOH-UHFFFAOYSA-N	1	0	356.470	1.899	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1	ZINC000043293099	521847027	/nfs/dbraw/zinc/84/70/27/521847027.db2.gz	IJGWXYOMOALXAR-UHFFFAOYSA-N	1	0	355.486	1.870	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000056786722	521908966	/nfs/dbraw/zinc/90/89/66/521908966.db2.gz	QWYPTGZCRIDNBK-IAGOWNOFSA-N	1	0	370.501	1.905	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Cn1cc(Br)ccc1=O	ZINC000069576392	521918981	/nfs/dbraw/zinc/91/89/81/521918981.db2.gz	WLYFIIVGPPVZLD-UHFFFAOYSA-N	1	0	369.263	1.305	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CN2CCOCC2)C1	ZINC000069857966	521963190	/nfs/dbraw/zinc/96/31/90/521963190.db2.gz	ALOYOQKSRDUPMX-LMMKCTJWSA-N	1	0	350.507	1.474	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CC[N@@H+](CC)C2)c1	ZINC000058925678	522320108	/nfs/dbraw/zinc/32/01/08/522320108.db2.gz	IUZGZRHDIFPNNZ-AWEZNQCLSA-N	1	0	351.472	1.223	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000072869315	522413368	/nfs/dbraw/zinc/41/33/68/522413368.db2.gz	INCBSRRBPDGNIT-AEFFLSMTSA-N	1	0	358.486	1.841	20	30		FDEDRO
C[C@H](CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[NH+]1CCCC1	ZINC000073571842	522551006	/nfs/dbraw/zinc/55/10/06/522551006.db2.gz	FIVLLGZYGRXWQI-CQSZACIVSA-N	1	0	364.471	1.093	20	30		FDEDRO
C[NH+]=C(NCc1ccc(C)s1)N1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000073776021	522604789	/nfs/dbraw/zinc/60/47/89/522604789.db2.gz	QRARNUDQVXNBEE-HNNXBMFYSA-N	1	0	350.488	1.455	20	30		FDEDRO
Cc1cccc(N2CC[NH+](CCC(=O)N3CCN(CC#N)CC3)CC2)c1	ZINC000073851817	522619543	/nfs/dbraw/zinc/61/95/43/522619543.db2.gz	UMPFCNYZQUJWJN-UHFFFAOYSA-N	1	0	355.486	1.175	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)COc3ccccc3C#N)ccn2)CC1	ZINC000048329312	522716530	/nfs/dbraw/zinc/71/65/30/522716530.db2.gz	WDQFJLKBQHHSCA-UHFFFAOYSA-N	1	0	365.437	1.400	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)CC1	ZINC000050033513	522879722	/nfs/dbraw/zinc/87/97/22/522879722.db2.gz	KTJMXQMSDMZHMV-LJQANCHMSA-N	1	0	354.410	1.025	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1	ZINC000050174568	522900103	/nfs/dbraw/zinc/90/01/03/522900103.db2.gz	NVFMEYNJFKBCMQ-RBSFLKMASA-N	1	0	372.469	1.988	20	30		FDEDRO
C[C@@H]1CCCN(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)C1	ZINC000065975198	522932639	/nfs/dbraw/zinc/93/26/39/522932639.db2.gz	UVEMNQSCVAOKMO-MRXNPFEDSA-N	1	0	364.515	1.899	20	30		FDEDRO
C[C@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C[NH+]1CCCC1	ZINC000066240720	522995493	/nfs/dbraw/zinc/99/54/93/522995493.db2.gz	KYWBFFXQRKCRBP-CQSZACIVSA-N	1	0	352.442	1.788	20	30		FDEDRO
N#Cc1cnn(-c2ccc(C(=O)N3CCC[N@@H+]4CCC[C@@H]4C3)cc2)c1N	ZINC000066241607	522997470	/nfs/dbraw/zinc/99/74/70/522997470.db2.gz	HRFNSJPFPUIQHM-QGZVFWFLSA-N	1	0	350.426	1.636	20	30		FDEDRO
CCN(CC)C(=O)CN1CCC[N@H+](CCOc2cccc(C#N)c2)CC1	ZINC000051708396	523060280	/nfs/dbraw/zinc/06/02/80/523060280.db2.gz	OWUYFBZIAVIZQD-UHFFFAOYSA-N	1	0	358.486	1.813	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2cccc(C#N)c2)c1	ZINC000066464555	523065708	/nfs/dbraw/zinc/06/57/08/523065708.db2.gz	HELNOSWCGFXWGL-UHFFFAOYSA-N	1	0	350.422	1.780	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NC1CC[NH+](CC(=C)C)CC1	ZINC000076282897	523066448	/nfs/dbraw/zinc/06/64/48/523066448.db2.gz	YZHPCVDADOFZEQ-UHFFFAOYSA-N	1	0	373.428	1.933	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)c1	ZINC000076314948	523074595	/nfs/dbraw/zinc/07/45/95/523074595.db2.gz	PZZMOBYDWXUXIZ-LJQANCHMSA-N	1	0	357.454	1.516	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC1CC[NH+](CC=C)CC1	ZINC000076512790	523127021	/nfs/dbraw/zinc/12/70/21/523127021.db2.gz	PAPRHJWUXMHCGK-UHFFFAOYSA-N	1	0	359.401	1.543	20	30		FDEDRO
CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1CCOc1cccc(C#N)c1	ZINC000052134739	523129043	/nfs/dbraw/zinc/12/90/43/523129043.db2.gz	IHZCDQMSNXPHFI-MRXNPFEDSA-N	1	0	351.472	1.731	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1	ZINC000052159404	523130732	/nfs/dbraw/zinc/13/07/32/523130732.db2.gz	HPSWMMJSJFKMNA-OAHLLOKOSA-N	1	0	364.490	1.357	20	30		FDEDRO
C=CCCC[N@@H+](C)[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000076801719	523188722	/nfs/dbraw/zinc/18/87/22/523188722.db2.gz	VAKABQQNSGKTIE-AWEZNQCLSA-N	1	0	353.488	1.279	20	30		FDEDRO
Cc1nn(-c2ccccc2)c(CSc2nnnn2CC[NH+](C)C)c1C#N	ZINC000076923128	523202497	/nfs/dbraw/zinc/20/24/97/523202497.db2.gz	YHVJUWAKMHJQBI-UHFFFAOYSA-N	1	0	368.470	1.893	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)CC1	ZINC000077037837	523239652	/nfs/dbraw/zinc/23/96/52/523239652.db2.gz	NJLVRHUOSLYGAG-ZDUSSCGKSA-N	1	0	360.845	1.797	20	30		FDEDRO
C[C@H](c1ccccc1)N1C[C@H](C(=O)NC2(C#N)CC[NH+](C)CC2)CC1=O	ZINC000077038326	523240144	/nfs/dbraw/zinc/24/01/44/523240144.db2.gz	DQHVYXWEVGFFKG-NVXWUHKLSA-N	1	0	354.454	1.700	20	30		FDEDRO
N#Cc1nnc2ccccc2c1N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000077217268	523270026	/nfs/dbraw/zinc/27/00/26/523270026.db2.gz	YTPXHJQLKUFPNH-UHFFFAOYSA-N	1	0	350.426	1.246	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(C#N)ccc2OCC)C1	ZINC000067393064	523421365	/nfs/dbraw/zinc/42/13/65/523421365.db2.gz	XQEPQKVJWWUCRB-OAHLLOKOSA-N	1	0	358.442	1.744	20	30		FDEDRO
Cn1c(NC[C@H](c2ccccc2)[NH+]2CCCC2)c(C#N)c(=O)n(C)c1=O	ZINC000054359379	523622973	/nfs/dbraw/zinc/62/29/73/523622973.db2.gz	DRFPYFZKIFCKTJ-MRXNPFEDSA-N	1	0	353.426	1.205	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCN(C(N)=O)C1	ZINC000068310563	523755709	/nfs/dbraw/zinc/75/57/09/523755709.db2.gz	PVUGPCPTCAOQNZ-KRWDZBQOSA-N	1	0	357.458	1.239	20	30		FDEDRO
CC1CCC(NS(=O)(=O)CC(=O)N(CCC#N)CCC[NH+](C)C)CC1	ZINC000068307574	523755796	/nfs/dbraw/zinc/75/57/96/523755796.db2.gz	QUINFQFWCMLGTK-UHFFFAOYSA-N	1	0	372.535	1.178	20	30		FDEDRO
CC(=O)N1CCC[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)C1	ZINC000068310578	523757371	/nfs/dbraw/zinc/75/73/71/523757371.db2.gz	BJWXNAYFADKFRJ-LJQANCHMSA-N	1	0	356.470	1.707	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCC[N@H+]2CC)c1	ZINC000055209049	523766894	/nfs/dbraw/zinc/76/68/94/523766894.db2.gz	PWLPXFQJUIQJBF-OAHLLOKOSA-N	1	0	351.472	1.365	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)CC[NH+](C)C)cc1	ZINC000080169263	523844326	/nfs/dbraw/zinc/84/43/26/523844326.db2.gz	RCBYWIZVCDVQST-UHFFFAOYSA-N	1	0	354.476	1.518	20	30		FDEDRO
CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000080822118	523909165	/nfs/dbraw/zinc/90/91/65/523909165.db2.gz	OAYHSPVVBQAZOR-UHFFFAOYSA-N	1	0	351.472	1.726	20	30		FDEDRO
CC(C)(C)CC[NH+]1CCN(C(=O)CCNC(=O)C2N=CC=CC2=O)CC1	ZINC000172052965	524101738	/nfs/dbraw/zinc/10/17/38/524101738.db2.gz	NFAGPSWOJKBCPT-ZCXUNETKSA-N	1	0	362.474	1.483	20	30		FDEDRO
CN(CC[N@H+](C)C1CCCCC1)C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000172058567	524104121	/nfs/dbraw/zinc/10/41/21/524104121.db2.gz	WNSDOEWCFAFICZ-HNENSFHCSA-N	1	0	362.474	1.626	20	30		FDEDRO
Cc1ccsc1/C=c1\sc(=C(C#N)C#N)n(C2CC[NH+](C)CC2)c1=O	ZINC000120944670	524106435	/nfs/dbraw/zinc/10/64/35/524106435.db2.gz	PUKTWQGUGNZIDA-SXGWCWSVSA-N	1	0	370.503	1.573	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1C#N)[N@@H+]1CCc2ccccc2C1	ZINC000135376922	524134985	/nfs/dbraw/zinc/13/49/85/524134985.db2.gz	VCGZOBOVJYGXHP-AWEZNQCLSA-N	1	0	366.469	1.701	20	30		FDEDRO
CCN(CCC#N)CC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1	ZINC000081513758	524138570	/nfs/dbraw/zinc/13/85/70/524138570.db2.gz	FLGBGNOUUDWZIR-UHFFFAOYSA-N	1	0	358.486	1.965	20	30		FDEDRO
CC#CCNC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000135978743	524177396	/nfs/dbraw/zinc/17/73/96/524177396.db2.gz	VOYODQODOCWVRH-GOSISDBHSA-N	1	0	355.486	1.649	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)ccc1F	ZINC000172316661	524200080	/nfs/dbraw/zinc/20/00/80/524200080.db2.gz	RHTYIQXMMYKPGC-UHFFFAOYSA-N	1	0	374.416	1.207	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(CC(=O)NC2(C#N)CCCCC2)CC1	ZINC000111230878	524226329	/nfs/dbraw/zinc/22/63/29/524226329.db2.gz	RQXQFZAKDIXOLQ-SFHVURJKSA-N	1	0	361.534	1.431	20	30		FDEDRO
CCOCCCNC(=[NH2+])NCC(=O)N1CCC(Cc2ccccc2)CC1	ZINC000083052718	524234613	/nfs/dbraw/zinc/23/46/13/524234613.db2.gz	FNLUNKXSZLOEMM-UHFFFAOYSA-N	1	0	360.502	1.799	20	30		FDEDRO
C[N@H+](CCC(=O)Nc1ccccc1C#N)C1CCN(S(C)(=O)=O)CC1	ZINC000121392279	524243906	/nfs/dbraw/zinc/24/39/06/524243906.db2.gz	VYQMFPITUPCSFO-UHFFFAOYSA-N	1	0	364.471	1.243	20	30		FDEDRO
C[NH+]=C(NCCN1CCCS1(=O)=O)NCc1oc2ccccc2c1C	ZINC000083208278	524245982	/nfs/dbraw/zinc/24/59/82/524245982.db2.gz	AUZKDKKQQGXDDS-UHFFFAOYSA-N	1	0	364.471	1.442	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@H](O)COc1ccccc1Cl	ZINC000121460157	524265394	/nfs/dbraw/zinc/26/53/94/524265394.db2.gz	BPPQAVKKICKGQI-LBPRGKRZSA-N	1	0	363.849	1.821	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[N@@H+]1CCCN(CC(=O)N(C)C)CC1	ZINC000157566326	524297844	/nfs/dbraw/zinc/29/78/44/524297844.db2.gz	JJSOENSLHQPLLB-UHFFFAOYSA-N	1	0	360.458	1.042	20	30		FDEDRO
CCOCCNC(=O)CON=C(N)c1ccccc1C[NH+]1CCCCC1	ZINC000084505725	524312655	/nfs/dbraw/zinc/31/26/55/524312655.db2.gz	BJDHYRFQXBGMRY-UHFFFAOYSA-N	1	0	362.474	1.462	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2F)N2CCOCC2)CC1	ZINC000173101771	524320567	/nfs/dbraw/zinc/32/05/67/524320567.db2.gz	RHJZVHRWXUZYLE-LJQANCHMSA-N	1	0	361.461	1.966	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CCC(=O)Nc2cccc(C#N)c2)CC1	ZINC000141652471	524339565	/nfs/dbraw/zinc/33/95/65/524339565.db2.gz	STCPZPJZRMAASH-SFHVURJKSA-N	1	0	369.469	1.125	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c1	ZINC000142434410	524350236	/nfs/dbraw/zinc/35/02/36/524350236.db2.gz	LTDGUDSHBRHLHX-MRXNPFEDSA-N	1	0	363.483	1.461	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1	ZINC000122090408	524449259	/nfs/dbraw/zinc/44/92/59/524449259.db2.gz	APJMPEKAMAGHSB-GJZGRUSLSA-N	1	0	358.414	1.390	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1	ZINC000122090609	524450042	/nfs/dbraw/zinc/45/00/42/524450042.db2.gz	APJMPEKAMAGHSB-CABCVRRESA-N	1	0	358.414	1.390	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCc2n[nH]cc2C1	ZINC000122111116	524453903	/nfs/dbraw/zinc/45/39/03/524453903.db2.gz	LNQIIXWNUCSWLW-SFHVURJKSA-N	1	0	366.469	1.912	20	30		FDEDRO
C[NH+]=C(NCC[S@](=O)C(C)(C)C)N1CCN(C(=O)c2ccco2)CC1	ZINC000088667573	524461873	/nfs/dbraw/zinc/46/18/73/524461873.db2.gz	WEQGXBXVZFTQAR-RUZDIDTESA-N	1	0	368.503	1.160	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1CCN(C2CC[NH+](CCC)CC2)CC1	ZINC000112358807	524469474	/nfs/dbraw/zinc/46/94/74/524469474.db2.gz	CCEYJVVYDHDFPD-UHFFFAOYSA-N	1	0	350.551	1.903	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCc3nc(COC)nn3C2)CC1	ZINC000150745855	524481671	/nfs/dbraw/zinc/48/16/71/524481671.db2.gz	XTPPENYRBABOBU-OAHLLOKOSA-N	1	0	362.478	1.079	20	30		FDEDRO
C[NH+](C)CCn1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)n1	ZINC000173946891	524491104	/nfs/dbraw/zinc/49/11/04/524491104.db2.gz	WKMCXACJRMQBBU-UHFFFAOYSA-N	1	0	368.445	1.065	20	30		FDEDRO
Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)CC2	ZINC000174084296	524512966	/nfs/dbraw/zinc/51/29/66/524512966.db2.gz	QOLKEBYIWCJSEO-GOEBONIOSA-N	1	0	352.442	1.826	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1	ZINC000122355877	524515029	/nfs/dbraw/zinc/51/50/29/524515029.db2.gz	WAIOFBIVGAUBLT-SJORKVTESA-N	1	0	358.486	1.715	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(OCCOC)cc2)c1C#N	ZINC000089663383	524518542	/nfs/dbraw/zinc/51/85/42/524518542.db2.gz	WOSUHIGHNCWDSR-UHFFFAOYSA-N	1	0	357.414	1.711	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1nc2cc([N+](=O)[O-])ccc2o1	ZINC000089942650	524553527	/nfs/dbraw/zinc/55/35/27/524553527.db2.gz	NOJMHIRZYNRFDD-UHFFFAOYSA-N	1	0	355.358	1.978	20	30		FDEDRO
CCc1nc(NC(=O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)sc1C	ZINC000089943331	524557553	/nfs/dbraw/zinc/55/75/53/524557553.db2.gz	PUXDISFZEVIHGA-UHFFFAOYSA-N	1	0	361.475	1.694	20	30		FDEDRO
C=C(C)COCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000090451298	524594361	/nfs/dbraw/zinc/59/43/61/524594361.db2.gz	VQXJEGQFKJPYQU-INIZCTEOSA-N	1	0	368.499	1.951	20	30		FDEDRO
C=CCC[C@@H](O)C[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1	ZINC000122787571	524616862	/nfs/dbraw/zinc/61/68/62/524616862.db2.gz	GCZPPSWOENECJN-MRXNPFEDSA-N	1	0	356.463	1.896	20	30		FDEDRO
C[C@H](CC#N)NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1	ZINC000122969799	524653164	/nfs/dbraw/zinc/65/31/64/524653164.db2.gz	JGVKICABKZPBHL-LLVKDONJSA-N	1	0	352.822	1.637	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)n1	ZINC000091213481	524663930	/nfs/dbraw/zinc/66/39/30/524663930.db2.gz	DMPKHLFQESYMEK-CQSZACIVSA-N	1	0	360.462	1.511	20	30		FDEDRO
C[C@H](CNC(=O)CCCC(=O)Nc1ccccc1C#N)N1CC[NH+](C)CC1	ZINC000151728345	524666880	/nfs/dbraw/zinc/66/68/80/524666880.db2.gz	BICPPJVJZQHTNC-MRXNPFEDSA-N	1	0	371.485	1.419	20	30		FDEDRO
C[NH+]=C(NCC(=O)NC(C)C)N(C)Cc1cc(Br)cn1C	ZINC000159471473	524679338	/nfs/dbraw/zinc/67/93/38/524679338.db2.gz	IFLYITQKIFUOTA-UHFFFAOYSA-N	1	0	358.284	1.319	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000123150688	524690884	/nfs/dbraw/zinc/69/08/84/524690884.db2.gz	WMJWYEPFKZYELD-CABCVRRESA-N	1	0	369.473	1.053	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(OCC(N)=O)c2)CC1	ZINC000174770022	524730797	/nfs/dbraw/zinc/73/07/97/524730797.db2.gz	SUSONIHAWVJBDO-UHFFFAOYSA-N	1	0	360.458	1.390	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C(C)C)C2CCOCC2)CC1	ZINC000091622535	524743572	/nfs/dbraw/zinc/74/35/72/524743572.db2.gz	WLXIHNWZYPHHIN-SFHVURJKSA-N	1	0	350.507	1.568	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2c(C)c[nH]c2=O)cc1	ZINC000159882479	524760731	/nfs/dbraw/zinc/76/07/31/524760731.db2.gz	PTZQADZENWVBLM-UONOGXRCSA-N	1	0	371.441	1.525	20	30		FDEDRO
C#CCSCCNC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1	ZINC000175217871	524907607	/nfs/dbraw/zinc/90/76/07/524907607.db2.gz	KGYCMLRZZCWLKT-UHFFFAOYSA-N	1	0	352.548	1.602	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1	ZINC000092763456	524914584	/nfs/dbraw/zinc/91/45/84/524914584.db2.gz	ZFWGBWCTCUEMCP-UHFFFAOYSA-N	1	0	359.470	1.972	20	30		FDEDRO
CCc1nsc(N2CCC[N@H+](CCC(=O)N(C)CCC#N)CC2)n1	ZINC000092798683	524917409	/nfs/dbraw/zinc/91/74/09/524917409.db2.gz	IFOHSDNBRPKRFH-UHFFFAOYSA-N	1	0	350.492	1.375	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H](C(=O)NC)C1)C(C)C	ZINC000114931448	524918690	/nfs/dbraw/zinc/91/86/90/524918690.db2.gz	OKFDZEKRSJCCBU-DLBZAZTESA-N	1	0	350.507	1.853	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1	ZINC000175747786	524999823	/nfs/dbraw/zinc/99/98/23/524999823.db2.gz	ZACPXYHDJCJPAC-CQSZACIVSA-N	1	0	355.442	1.683	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1	ZINC000152780269	525002556	/nfs/dbraw/zinc/00/25/56/525002556.db2.gz	FPXGMEDPBYCCIJ-UHFFFAOYSA-N	1	0	358.442	1.694	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2C#N)C1	ZINC000175942487	525032732	/nfs/dbraw/zinc/03/27/32/525032732.db2.gz	FMQJPPRXRGYLKA-HNNXBMFYSA-N	1	0	362.405	1.109	20	30		FDEDRO
COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)CC2	ZINC000124640241	525040640	/nfs/dbraw/zinc/04/06/40/525040640.db2.gz	GLCHAQHXWWXEOW-SWLSCSKDSA-N	1	0	354.414	1.228	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)NC[C@H](C2CC2)[NH+](C)C)cc1C#N	ZINC000161250619	525064203	/nfs/dbraw/zinc/06/42/03/525064203.db2.gz	USBIVVNQEYAUAJ-MRXNPFEDSA-N	1	0	358.442	1.740	20	30		FDEDRO
CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000115819448	525068297	/nfs/dbraw/zinc/06/82/97/525068297.db2.gz	OUERQWMJJMQUNP-KRWDZBQOSA-N	1	0	370.501	1.905	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCCn2c3ccccc3[nH]c2=O)CC1	ZINC000176486208	525127273	/nfs/dbraw/zinc/12/72/73/525127273.db2.gz	LGRASQFMDLEFQU-UHFFFAOYSA-N	1	0	357.458	1.669	20	30		FDEDRO
CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)c2ccc(F)cc2C#N)CC1	ZINC000161662321	525147161	/nfs/dbraw/zinc/14/71/61/525147161.db2.gz	PJKNIRRFIVMQLF-HNNXBMFYSA-N	1	0	355.435	1.068	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000153266261	525160685	/nfs/dbraw/zinc/16/06/85/525160685.db2.gz	AFJWWKMLUCFQHD-UHFFFAOYSA-N	1	0	372.385	1.703	20	30		FDEDRO
C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153267189	525161414	/nfs/dbraw/zinc/16/14/14/525161414.db2.gz	QFLZUFTWSZMMBY-AWEZNQCLSA-N	1	0	366.469	1.701	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153287963	525167956	/nfs/dbraw/zinc/16/79/56/525167956.db2.gz	XJLYKOXWFKOSMU-CYBMUJFWSA-N	1	0	357.462	1.459	20	30		FDEDRO
C[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1	ZINC000162061734	525207857	/nfs/dbraw/zinc/20/78/57/525207857.db2.gz	AGKVUGOKXMBJEE-UHFFFAOYSA-N	1	0	362.433	1.584	20	30		FDEDRO
CC(C)OCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C#N)c2)CC1	ZINC000177105703	525237845	/nfs/dbraw/zinc/23/78/45/525237845.db2.gz	KYMARXPWGWRPLI-UHFFFAOYSA-N	1	0	358.442	1.502	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)C1CCCCC1	ZINC000153563494	525250024	/nfs/dbraw/zinc/25/00/24/525250024.db2.gz	RHLBPONMJYGPJK-SFHVURJKSA-N	1	0	356.470	1.915	20	30		FDEDRO
CC(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000101966123	525264624	/nfs/dbraw/zinc/26/46/24/525264624.db2.gz	PFLUVDQDFIKMQK-OALUTQOASA-N	1	0	373.497	1.977	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1	ZINC000126100299	525273240	/nfs/dbraw/zinc/27/32/40/525273240.db2.gz	JDSZRLAXDGGESK-AWEZNQCLSA-N	1	0	367.515	1.857	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1	ZINC000177537980	525306632	/nfs/dbraw/zinc/30/66/32/525306632.db2.gz	BOBUZWFDQBJRLE-INIZCTEOSA-N	1	0	358.442	1.094	20	30		FDEDRO
CN1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CCC1=O	ZINC000162925079	525337423	/nfs/dbraw/zinc/33/74/23/525337423.db2.gz	IGFPPQDWVQLOGF-QGZVFWFLSA-N	1	0	357.458	1.252	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CC2CC[NH+](C)CC2)cc1	ZINC000103452479	525355428	/nfs/dbraw/zinc/35/54/28/525355428.db2.gz	SXSBZYBHZXXXFH-UHFFFAOYSA-N	1	0	363.483	1.012	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1	ZINC000178015113	525369404	/nfs/dbraw/zinc/36/94/04/525369404.db2.gz	WVYXZZGFBFCYSC-IAGOWNOFSA-N	1	0	372.469	1.530	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000178101359	525385269	/nfs/dbraw/zinc/38/52/69/525385269.db2.gz	KNLDBLFYNSRCNE-SFHVURJKSA-N	1	0	373.501	1.527	20	30		FDEDRO
CNS(=O)(=O)CCCN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000104097587	525391979	/nfs/dbraw/zinc/39/19/79/525391979.db2.gz	STVMXKKLSPEJOO-UHFFFAOYSA-N	1	0	350.488	1.005	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1	ZINC000154019614	525395406	/nfs/dbraw/zinc/39/54/06/525395406.db2.gz	PRIRLIIIPYAGMA-OALUTQOASA-N	1	0	350.551	1.901	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NCc1cc(Br)c(OC)c(OC)c1	ZINC000104190735	525400178	/nfs/dbraw/zinc/40/01/78/525400178.db2.gz	UBXHWPJUMQUKCZ-VIFPVBQESA-N	1	0	360.252	1.906	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1	ZINC000178414859	525424082	/nfs/dbraw/zinc/42/40/82/525424082.db2.gz	SNCFSMMFZHYDTD-SFHVURJKSA-N	1	0	371.485	1.193	20	30		FDEDRO
CCCC[N@H+](C)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000127484403	525429414	/nfs/dbraw/zinc/42/94/14/525429414.db2.gz	CRXRGJJXUOGQAH-AWEZNQCLSA-N	1	0	366.487	1.073	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1	ZINC000178484048	525436690	/nfs/dbraw/zinc/43/66/90/525436690.db2.gz	MQUGAQXDGQJVPT-UHFFFAOYSA-N	1	0	370.453	1.376	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCCc3ccccn3)=[NH+]C[C@@H]2C1	ZINC000178767380	525478690	/nfs/dbraw/zinc/47/86/90/525478690.db2.gz	UXJNTLJKFDNXAL-MRXNPFEDSA-N	1	0	359.474	1.895	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H](CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000105237142	525480552	/nfs/dbraw/zinc/48/05/52/525480552.db2.gz	NMEOFEZTYMBLPP-KRWDZBQOSA-N	1	0	370.501	1.953	20	30		FDEDRO
N#CCSc1ccccc1NC(=O)CN1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000178824354	525484915	/nfs/dbraw/zinc/48/49/15/525484915.db2.gz	KFDBRZGGLPWARC-MRXNPFEDSA-N	1	0	374.510	1.895	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)CC1	ZINC000178903837	525502967	/nfs/dbraw/zinc/50/29/67/525502967.db2.gz	JYKJRGKXBWPBIZ-ZDUSSCGKSA-N	1	0	362.396	1.489	20	30		FDEDRO
C=C(C)CNC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C	ZINC000154387670	525518228	/nfs/dbraw/zinc/51/82/28/525518228.db2.gz	VADXVMOEMKKQIK-UHFFFAOYSA-N	1	0	353.488	1.531	20	30		FDEDRO
C=CCNC(=O)C(=O)Nc1c(C)cnn1[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000154418607	525528274	/nfs/dbraw/zinc/52/82/74/525528274.db2.gz	ARCYJLAUBKIOKU-KRWDZBQOSA-N	1	0	367.453	1.879	20	30		FDEDRO
C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2cc(C#N)ccc2Cl)cn1	ZINC000128457927	525543620	/nfs/dbraw/zinc/54/36/20/525543620.db2.gz	AAGGEIRPNXZSMA-UHFFFAOYSA-N	1	0	360.805	1.547	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(Cc2nccn2C)CC1	ZINC000106030550	525549879	/nfs/dbraw/zinc/54/98/79/525549879.db2.gz	WOUWZEOYKXRKDI-OAHLLOKOSA-N	1	0	353.426	1.403	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)NCC)cc2)CC1	ZINC000106040353	525552996	/nfs/dbraw/zinc/55/29/96/525552996.db2.gz	PYMVQSRNTIHZQZ-UHFFFAOYSA-N	1	0	365.499	1.755	20	30		FDEDRO
C[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@H]1CCCN1c1cccnn1	ZINC000106085646	525569689	/nfs/dbraw/zinc/56/96/89/525569689.db2.gz	KGEOTFSZPPCLCQ-MRXNPFEDSA-N	1	0	355.446	1.033	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2CCC[NH2+]C2)c1	ZINC000154634840	525597119	/nfs/dbraw/zinc/59/71/19/525597119.db2.gz	VPLIYHGTHJMOBK-GJEKEPIOSA-N	1	0	364.471	1.438	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1	ZINC000180070409	525658403	/nfs/dbraw/zinc/65/84/03/525658403.db2.gz	QHWAOEJXYJKLTK-JKSUJKDBSA-N	1	0	359.474	1.982	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1	ZINC000180266217	525680095	/nfs/dbraw/zinc/68/00/95/525680095.db2.gz	CJXKKZQGXFZTJH-UHFFFAOYSA-N	1	0	368.481	1.868	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CCO[C@@H](C#N)C3)cc2)CC1	ZINC000106331285	525692099	/nfs/dbraw/zinc/69/20/99/525692099.db2.gz	NIMXZROVIGCRQU-IBGZPJMESA-N	1	0	371.485	1.258	20	30		FDEDRO
COc1cccc([C@@H](CNC(=O)N2CCO[C@H](C#N)C2)[NH+]2CCCC2)c1	ZINC000106328846	525692285	/nfs/dbraw/zinc/69/22/85/525692285.db2.gz	JRJBRSZZOQVOCM-QZTJIDSGSA-N	1	0	358.442	1.766	20	30		FDEDRO
N#C[C@H]1CN(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)CCO1	ZINC000106333768	525695203	/nfs/dbraw/zinc/69/52/03/525695203.db2.gz	ZSOLGFDADNOVKX-IBGZPJMESA-N	1	0	371.485	1.523	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000180396501	525701720	/nfs/dbraw/zinc/70/17/20/525701720.db2.gz	NZRAELWLRZNCLR-IYBDPMFKSA-N	1	0	374.485	1.397	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1	ZINC000180420291	525705499	/nfs/dbraw/zinc/70/54/99/525705499.db2.gz	WWVOBDRMSIQIKV-UHFFFAOYSA-N	1	0	373.501	1.109	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N[C@@H](CC)[C@H]1CN(Cc2ccccc2)CCO1	ZINC000180823250	525758704	/nfs/dbraw/zinc/75/87/04/525758704.db2.gz	JUYDZJWYJXOEQM-ZWKOTPCHSA-N	1	0	374.485	1.267	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@@H]3CC[C@@H](C)C[C@@H]3C)CC2)o1	ZINC000119563466	525787183	/nfs/dbraw/zinc/78/71/83/525787183.db2.gz	XAOLBGQKHBPWSJ-IJEWVQPXSA-N	1	0	359.474	1.918	20	30		FDEDRO
Cc1cc(C)cc(NC(=[NH2+])NC[C@H](O)CS(=O)(=O)c2cccs2)c1	ZINC000130773795	525795472	/nfs/dbraw/zinc/79/54/72/525795472.db2.gz	XXVUDTWNNUKHJJ-AWEZNQCLSA-N	1	0	367.496	1.926	20	30		FDEDRO
CCC1(CO)CC[NH+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1	ZINC000181168261	525815862	/nfs/dbraw/zinc/81/58/62/525815862.db2.gz	BLTZHUOHGOCSJF-QGZVFWFLSA-N	1	0	350.507	1.163	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1	ZINC000181216769	525821965	/nfs/dbraw/zinc/82/19/65/525821965.db2.gz	UVYSNBHOYNKARS-XJKSGUPXSA-N	1	0	350.488	1.732	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)n1	ZINC000181336584	525841166	/nfs/dbraw/zinc/84/11/66/525841166.db2.gz	HYBHUFNGVLJKGJ-ZDUSSCGKSA-N	1	0	374.470	1.755	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)c1ccc(F)cc1	ZINC000171114240	525853943	/nfs/dbraw/zinc/85/39/43/525853943.db2.gz	SPYBFQCMXIYCCJ-SFHVURJKSA-N	1	0	368.412	1.846	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)CN2CC[NH+](CC(C)(C)O)CC2)c1C	ZINC000171149114	525872220	/nfs/dbraw/zinc/87/22/20/525872220.db2.gz	LRCKSNRUBCHFDT-UHFFFAOYSA-N	1	0	372.513	1.939	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N(C)[C@@H](C)CC#N)cc2)CC1	ZINC000132148582	525940744	/nfs/dbraw/zinc/94/07/44/525940744.db2.gz	GQTJNJWOFJUZSF-INIZCTEOSA-N	1	0	371.485	1.523	20	30		FDEDRO
CCCNC(=O)CON=C(N)CCN1CC[NH+](Cc2ccccc2)CC1	ZINC000108351926	525958023	/nfs/dbraw/zinc/95/80/23/525958023.db2.gz	LSNQKCQJFUATLP-UHFFFAOYSA-N	1	0	361.490	1.009	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1	ZINC000181876815	525966335	/nfs/dbraw/zinc/96/63/35/525966335.db2.gz	BMOKFGSCDZFHOL-AWEZNQCLSA-N	1	0	356.426	1.683	20	30		FDEDRO
C[C@@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(C#N)cc1	ZINC000181948339	525994710	/nfs/dbraw/zinc/99/47/10/525994710.db2.gz	RPVVQNHGKVMDBP-PBHICJAKSA-N	1	0	351.472	1.697	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](CN1CCOCC1)c1ccccc1	ZINC000182139924	526069247	/nfs/dbraw/zinc/06/92/47/526069247.db2.gz	XUWHBQWPFFYMEF-MJGOQNOKSA-N	1	0	358.486	1.658	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H](Cc2ccc(F)cc2)n2nnnc2C)CC1	ZINC000171718365	526091195	/nfs/dbraw/zinc/09/11/95/526091195.db2.gz	HUABZTLVCXQPDO-GOSISDBHSA-N	1	0	372.448	1.671	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CSc2nnnn2C2CCCC2)CC1	ZINC000171720055	526093136	/nfs/dbraw/zinc/09/31/36/526093136.db2.gz	QAUZYMPDDGZZTH-UHFFFAOYSA-N	1	0	350.492	1.647	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)CC1	ZINC000171726849	526095598	/nfs/dbraw/zinc/09/55/98/526095598.db2.gz	LPRIKNNHINKMSZ-HXUWFJFHSA-N	1	0	368.481	1.982	20	30		FDEDRO
C=C[C@H](C)NC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC	ZINC000133881265	526104428	/nfs/dbraw/zinc/10/44/28/526104428.db2.gz	IBMMOTXFHAWNSL-AWEZNQCLSA-N	1	0	360.458	1.466	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000120562800	526109851	/nfs/dbraw/zinc/10/98/51/526109851.db2.gz	UZAZTJNDCZPVML-DZGCQCFKSA-N	1	0	361.417	1.717	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1	ZINC000171768097	526114125	/nfs/dbraw/zinc/11/41/25/526114125.db2.gz	PAFSRHQJBIJVDB-HNNXBMFYSA-N	1	0	359.449	1.871	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCCN(c3cccnc3)C2=O)CC1	ZINC000182518775	526196325	/nfs/dbraw/zinc/19/63/25/526196325.db2.gz	UQWBLANALMPTIJ-SFHVURJKSA-N	1	0	371.485	1.917	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(n4cncn4)CC3)C2=O)cc1	ZINC000182723165	535851365	/nfs/dbraw/zinc/85/13/65/535851365.db2.gz	UVFZWTYTULIUIF-SFHVURJKSA-N	1	0	350.426	1.982	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H]2CCCN(c3cccnc3)C2=O)CC1	ZINC000182727922	535852784	/nfs/dbraw/zinc/85/27/84/535852784.db2.gz	IZQIOMZNKKDKQF-KRWDZBQOSA-N	1	0	357.458	1.527	20	30		FDEDRO
C[C@H](C#N)CNC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000182814472	535867765	/nfs/dbraw/zinc/86/77/65/535867765.db2.gz	VALYXJJLFZPHQP-MSOLQXFVSA-N	1	0	370.501	1.785	20	30		FDEDRO
C[C@H](O)[C@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000183173049	535934955	/nfs/dbraw/zinc/93/49/55/535934955.db2.gz	CZRYUGHKZSGOMJ-IEZWGBDMSA-N	1	0	374.460	1.237	20	30		FDEDRO
N#CCNC(=O)CN1CCC(Oc2cccc(Br)c2)CC1	ZINC000183821551	536053331	/nfs/dbraw/zinc/05/33/31/536053331.db2.gz	VUDBLRWOZVYKBK-UHFFFAOYSA-N	1	0	352.232	1.932	20	30		FDEDRO
N#Cc1ccc(Cl)c(S(=O)(=O)NCCCC[N@H+]2CCC[C@H]2CO)c1	ZINC000184880267	536189548	/nfs/dbraw/zinc/18/95/48/536189548.db2.gz	YQMYZGQEFLCFDF-AWEZNQCLSA-N	1	0	371.890	1.727	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2nc(COc3ccccc3)n[nH]2)CC1	ZINC000185361029	536206372	/nfs/dbraw/zinc/20/63/72/536206372.db2.gz	UZMKAEFLVQHBSX-UHFFFAOYSA-N	1	0	370.457	1.833	20	30		FDEDRO
CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2OC)C1	ZINC000185799693	536217891	/nfs/dbraw/zinc/21/78/91/536217891.db2.gz	NQXJDMWEDQWNHS-OAHLLOKOSA-N	1	0	351.472	1.919	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(Cn4cncn4)CC3)C2=O)cc1	ZINC000186268281	536230560	/nfs/dbraw/zinc/23/05/60/536230560.db2.gz	SOIHPCIIQGKWRW-GOSISDBHSA-N	1	0	350.426	1.667	20	30		FDEDRO
CCN(CCC#N)C(=O)CN(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000188284489	536288482	/nfs/dbraw/zinc/28/84/82/536288482.db2.gz	LMPLMYUPFKLCDJ-FQEVSTJZSA-N	1	0	358.486	1.317	20	30		FDEDRO
C[NH+]=C(NCc1coc(-c2ccccc2)n1)N[C@@H]1CCc2nc(C)nn2C1	ZINC000262816096	536909212	/nfs/dbraw/zinc/90/92/12/536909212.db2.gz	VQEHGFIKBUMUEW-OAHLLOKOSA-N	1	0	365.441	1.922	20	30		FDEDRO
CC[NH+]=C(NCCc1c(C)noc1C)N1CCN(c2ncccn2)CC1	ZINC000262827593	536912417	/nfs/dbraw/zinc/91/24/17/536912417.db2.gz	YUNGPBYHABCKLA-UHFFFAOYSA-N	1	0	357.462	1.412	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCS[C@H](C)[C@H]3C)CC2)o1	ZINC000246326778	536928122	/nfs/dbraw/zinc/92/81/22/536928122.db2.gz	HSISPQRKTFDDBL-CHWSQXEVSA-N	1	0	363.487	1.329	20	30		FDEDRO
COc1cc(OC)cc([C@H](O)CNC(=[NH2+])NCc2ccccc2OC)c1	ZINC000267386380	536972338	/nfs/dbraw/zinc/97/23/38/536972338.db2.gz	BOJJOUHKAFYWNK-QGZVFWFLSA-N	1	0	359.426	1.850	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCOc2ccc(F)c(F)c2)CC1	ZINC000267477541	536978327	/nfs/dbraw/zinc/97/83/27/536978327.db2.gz	ZQKXKJVVSZRFMT-UHFFFAOYSA-N	1	0	370.400	1.869	20	30		FDEDRO
CN1CC[N@H+](CCCNC(=O)c2cc(C#N)c[nH]2)[C@@H](c2ccccc2)C1	ZINC000246626230	536992591	/nfs/dbraw/zinc/99/25/91/536992591.db2.gz	ARYVLEFMRFQWJT-LJQANCHMSA-N	1	0	351.454	1.995	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCCCC2)N1CCN(c2ccccc2)CC1	ZINC000263245629	536999838	/nfs/dbraw/zinc/99/98/38/536999838.db2.gz	MTEBJKAFDIEGDT-UHFFFAOYSA-N	1	0	367.501	1.902	20	30		FDEDRO
C[NH+]=C(NCC(=O)N1CCN(c2ccccc2)CC1)NCc1ccccn1	ZINC000263259591	537003185	/nfs/dbraw/zinc/00/31/85/537003185.db2.gz	SBBHDBWWRLODRW-UHFFFAOYSA-N	1	0	366.469	1.095	20	30		FDEDRO
C[NH+]=C(NCc1csc(Br)c1)N1CCN(C(C)=O)CC1	ZINC000263260655	537004250	/nfs/dbraw/zinc/00/42/50/537004250.db2.gz	SKKTWBKQGGICDM-UHFFFAOYSA-N	1	0	359.293	1.750	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)[N@H+](C)C1CC1	ZINC000246763062	537022084	/nfs/dbraw/zinc/02/20/84/537022084.db2.gz	NTHLSSPCTGCMCZ-LPHOPBHVSA-N	1	0	355.486	1.889	20	30		FDEDRO
C[C@H]1C[N@H+](CC(C)(C)O)CCN1CCC(=O)Nc1sccc1C#N	ZINC000189449584	537048059	/nfs/dbraw/zinc/04/80/59/537048059.db2.gz	ZUNDQTIYUHPATL-ZDUSSCGKSA-N	1	0	350.488	1.725	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1	ZINC000263698373	537069484	/nfs/dbraw/zinc/06/94/84/537069484.db2.gz	LCXNTFOGSIXMHA-OLZOCXBDSA-N	1	0	354.451	1.233	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1	ZINC000263698371	537069740	/nfs/dbraw/zinc/06/97/40/537069740.db2.gz	LCXNTFOGSIXMHA-CHWSQXEVSA-N	1	0	354.451	1.233	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)cc1C#N	ZINC000189785308	537094904	/nfs/dbraw/zinc/09/49/04/537094904.db2.gz	BPNDFAKIAAKLRI-UHFFFAOYSA-N	1	0	356.426	1.591	20	30		FDEDRO
CCO[C@H]1C[C@](CO)([NH2+]CC(=O)N(C)C2(C#N)CCCCC2)C1(C)C	ZINC000190018850	537127729	/nfs/dbraw/zinc/12/77/29/537127729.db2.gz	VDHBRGAOMWWNDR-HNAYVOBHSA-N	1	0	351.491	1.827	20	30		FDEDRO
N#Cc1nccnc1N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000263902719	537129832	/nfs/dbraw/zinc/12/98/32/537129832.db2.gz	QJIIIPROVMSCNB-KRWDZBQOSA-N	1	0	363.469	1.782	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@@H](Cn4cncn4)C3)C2=O)cc1	ZINC000247574626	537136078	/nfs/dbraw/zinc/13/60/78/537136078.db2.gz	HPNDIWDLRBVLGT-AEFFLSMTSA-N	1	0	350.426	1.667	20	30		FDEDRO
CCN(CC)[C@H](CNC(=[NH2+])NCCCN1CCOCC1)c1ccsc1	ZINC000264101871	537136953	/nfs/dbraw/zinc/13/69/53/537136953.db2.gz	OLUIFBGMHYHXRC-QGZVFWFLSA-N	1	0	367.563	1.758	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2cccc(OC)c2O)CC1	ZINC000264308271	537141285	/nfs/dbraw/zinc/14/12/85/537141285.db2.gz	UFHHQBSTKPEIMA-UHFFFAOYSA-N	1	0	350.419	1.426	20	30		FDEDRO
COc1cc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)ccc1OC(F)F	ZINC000264930139	537149953	/nfs/dbraw/zinc/14/99/53/537149953.db2.gz	AHEPMUOPXTYDQG-NXVVXOECSA-N	1	0	367.352	1.913	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1	ZINC000264914667	537150063	/nfs/dbraw/zinc/15/00/63/537150063.db2.gz	GJHBMLQKURZJLX-UHFFFAOYSA-N	1	0	356.470	1.985	20	30		FDEDRO
C=CCCC[N@@H+](C)CC(=O)NN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O	ZINC000265495166	537153489	/nfs/dbraw/zinc/15/34/89/537153489.db2.gz	DAGSMHWNHRGVGX-IBGZPJMESA-N	1	0	374.441	1.391	20	30		FDEDRO
C#C[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1	ZINC000190291878	537161813	/nfs/dbraw/zinc/16/18/13/537161813.db2.gz	AHXJMFLKGUVNKA-ZDUSSCGKSA-N	1	0	360.433	1.433	20	30		FDEDRO
COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)CC2(C#N)CC2)c1	ZINC000190496129	537174986	/nfs/dbraw/zinc/17/49/86/537174986.db2.gz	WKTCIUANAUNRDB-UHFFFAOYSA-N	1	0	351.472	1.692	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1	ZINC000248565502	537192845	/nfs/dbraw/zinc/19/28/45/537192845.db2.gz	BQUAMAXYILONJZ-LEWSCRJBSA-N	1	0	370.272	1.679	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2C(=O)N(C)C)c(OC)c1	ZINC000248661817	537202808	/nfs/dbraw/zinc/20/28/08/537202808.db2.gz	FPRZPINCSXDHHY-SJORKVTESA-N	1	0	362.470	1.716	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@H]3CN3CCOCC3)C2=O)cc1	ZINC000248731208	537209261	/nfs/dbraw/zinc/20/92/61/537209261.db2.gz	JJGXQDLTRBSFCJ-VQTJNVASSA-N	1	0	368.481	1.850	20	30		FDEDRO
C#CCOc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)cc1	ZINC000191842955	537213132	/nfs/dbraw/zinc/21/31/32/537213132.db2.gz	HHLYYLNDIYKLSN-UHFFFAOYSA-N	1	0	359.447	1.754	20	30		FDEDRO
C[C@@H](O)C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H](C)CO	ZINC000248933161	537221646	/nfs/dbraw/zinc/22/16/46/537221646.db2.gz	MUGPEEFMYCOOKR-ZIAGYGMSSA-N	1	0	372.387	1.237	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3C[N@H+](C(C)C)C[C@H]3C)CC2)o1	ZINC000249085892	537227649	/nfs/dbraw/zinc/22/76/49/537227649.db2.gz	IURLQQYGMYWPQZ-DYVFJYSZSA-N	1	0	359.474	1.916	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC[C@H]1O	ZINC000249558315	537238613	/nfs/dbraw/zinc/23/86/13/537238613.db2.gz	KSGCDUNZUPVHMT-ATZDWAIDSA-N	1	0	374.460	1.237	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cccnc1	ZINC000193573276	537251438	/nfs/dbraw/zinc/25/14/38/537251438.db2.gz	BYKOJORQCUVVQT-UHFFFAOYSA-N	1	0	351.410	1.482	20	30		FDEDRO
COc1ccc(C#N)cc1CN1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1	ZINC000363701911	537286832	/nfs/dbraw/zinc/28/68/32/537286832.db2.gz	AFGXNGANWFCWGL-QGZVFWFLSA-N	1	0	363.483	1.308	20	30		FDEDRO
C[C@H](O)C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C1CCCCC1	ZINC000290284529	537314295	/nfs/dbraw/zinc/31/42/95/537314295.db2.gz	MLQLMDHFZBZYBT-AWEZNQCLSA-N	1	0	351.472	1.742	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1	ZINC000278439806	537327118	/nfs/dbraw/zinc/32/71/18/537327118.db2.gz	SODATRVNJKQAPA-MRXNPFEDSA-N	1	0	373.453	1.254	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1ccc(OCC#N)cc1	ZINC000278441421	537327983	/nfs/dbraw/zinc/32/79/83/537327983.db2.gz	LOORRLAXDASARR-MRXNPFEDSA-N	1	0	372.469	1.984	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NCc1cccc(OCC[NH+](C)C)c1	ZINC000282924120	537346423	/nfs/dbraw/zinc/34/64/23/537346423.db2.gz	STIZWSOIKNUEOC-AWEZNQCLSA-N	1	0	354.476	1.053	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000283073916	537350627	/nfs/dbraw/zinc/35/06/27/537350627.db2.gz	VBFPFIZZABQXHA-NVXWUHKLSA-N	1	0	350.488	1.719	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCN(CCc3cccs3)CC2)nc1	ZINC000293122934	537357397	/nfs/dbraw/zinc/35/73/97/537357397.db2.gz	QILWNRGXSFEJJJ-UHFFFAOYSA-N	1	0	369.450	1.340	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(CC(C)(C)[N@@H+]2CCc3ccccc3C2)C1=O	ZINC000348440876	537384733	/nfs/dbraw/zinc/38/47/33/537384733.db2.gz	LEYOYWKFHLMGRZ-QGZVFWFLSA-N	1	0	357.454	1.946	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(CC2([NH+]3CCOCC3)CCCCC2)C1=O	ZINC000348451024	537387723	/nfs/dbraw/zinc/38/77/23/537387723.db2.gz	VEXBQAQUFUZIDY-HNNXBMFYSA-N	1	0	351.447	1.145	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)cc1	ZINC000364394045	537391991	/nfs/dbraw/zinc/39/19/91/537391991.db2.gz	JHVQYMLLHQBPGD-OAHLLOKOSA-N	1	0	360.458	1.523	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(Br)ccc1F	ZINC000293229335	537394966	/nfs/dbraw/zinc/39/49/66/537394966.db2.gz	CFHRUNOBRKWNKZ-UHFFFAOYSA-N	1	0	370.222	1.598	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1	ZINC000280363364	537401727	/nfs/dbraw/zinc/40/17/27/537401727.db2.gz	LKYBQZWFXMGWHG-GOSISDBHSA-N	1	0	354.454	1.592	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)CC2)c1C#N	ZINC000290758216	537405657	/nfs/dbraw/zinc/40/56/57/537405657.db2.gz	PSVWGEUUBSCQRQ-AWEZNQCLSA-N	1	0	374.514	1.639	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cnc(C(F)(F)F)c(C#N)c1	ZINC000293404549	537443978	/nfs/dbraw/zinc/44/39/78/537443978.db2.gz	MUOLDFOEESEPBW-NSHDSACASA-N	1	0	355.364	1.338	20	30		FDEDRO
CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000290906759	537462912	/nfs/dbraw/zinc/46/29/12/537462912.db2.gz	IHUGIRPMXHESGF-ZIAGYGMSSA-N	1	0	366.487	1.070	20	30		FDEDRO
CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(c2snc(C)c2C#N)CC1	ZINC000290934614	537477342	/nfs/dbraw/zinc/47/73/42/537477342.db2.gz	ZHPQIADTMGSNGW-ZDUSSCGKSA-N	1	0	364.519	1.885	20	30		FDEDRO
Cc1cc(N2CC[NH+](C)CC2)ccc1NS(=O)(=O)c1cncc(C#N)c1	ZINC000290939344	537480664	/nfs/dbraw/zinc/48/06/64/537480664.db2.gz	LGLSWRFZUFSZLY-UHFFFAOYSA-N	1	0	371.466	1.814	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1	ZINC000365338480	537488308	/nfs/dbraw/zinc/48/83/08/537488308.db2.gz	HCRCBUADYPAELS-WMZOPIPTSA-N	1	0	356.470	1.564	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1	ZINC000293500976	537490285	/nfs/dbraw/zinc/49/02/85/537490285.db2.gz	XDDXVEGBYHRRGJ-UHFFFAOYSA-N	1	0	373.844	1.536	20	30		FDEDRO
C=C[C@@H](CO)NC(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1	ZINC000290982713	537499592	/nfs/dbraw/zinc/49/95/92/537499592.db2.gz	JSHOPBMNBPZDNA-SFHVURJKSA-N	1	0	361.486	1.904	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1	ZINC000274327864	537524218	/nfs/dbraw/zinc/52/42/18/537524218.db2.gz	ZBWWLEPINAUMIZ-HKUYNNGSSA-N	1	0	356.470	1.364	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3cccnc3C#N)C[C@H]2[C@@H]1c1ccccc1	ZINC000365478022	537534194	/nfs/dbraw/zinc/53/41/94/537534194.db2.gz	QBUQPYIIBSNRNH-MDZRGWNJSA-N	1	0	368.462	1.877	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C3CCOCC3)CC2)cc1	ZINC000365479501	537535150	/nfs/dbraw/zinc/53/51/50/537535150.db2.gz	DPGHQIOUNAHLDP-UHFFFAOYSA-N	1	0	356.426	1.210	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000288768528	537542961	/nfs/dbraw/zinc/54/29/61/537542961.db2.gz	KLHTZLBRAQRKOE-UHFFFAOYSA-N	1	0	373.501	1.426	20	30		FDEDRO
N#CCOc1cccc(NC(=O)C(=O)NCCCCC[NH+]2CCCC2)c1	ZINC000293666562	537555396	/nfs/dbraw/zinc/55/53/96/537555396.db2.gz	JNEQIWFIHUUORA-UHFFFAOYSA-N	1	0	358.442	1.910	20	30		FDEDRO
CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)N(C)C[C@H](C)C#N	ZINC000275728838	537559735	/nfs/dbraw/zinc/55/97/35/537559735.db2.gz	UAICXMLCLBIJPN-OAHLLOKOSA-N	1	0	360.458	1.964	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCN(c3ccn(C)n3)C2=O)cc1	ZINC000360092665	537578356	/nfs/dbraw/zinc/57/83/56/537578356.db2.gz	KZMSHKAWLQLTLC-QGZVFWFLSA-N	1	0	352.442	1.665	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1	ZINC000281781088	537581399	/nfs/dbraw/zinc/58/13/99/537581399.db2.gz	NAKFMSXOCCQDKV-IRXDYDNUSA-N	1	0	366.487	1.128	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1C#N	ZINC000360391841	537586505	/nfs/dbraw/zinc/58/65/05/537586505.db2.gz	ZSVLZTWRWCNZSW-INIZCTEOSA-N	1	0	369.469	1.044	20	30		FDEDRO
CCCCNC(=O)[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000299468746	537588716	/nfs/dbraw/zinc/58/87/16/537588716.db2.gz	NMACHFZDVYNALQ-SFHVURJKSA-N	1	0	356.470	1.803	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)Cc1cccc(C#N)c1	ZINC000285109197	537608956	/nfs/dbraw/zinc/60/89/56/537608956.db2.gz	QLXUTSKLUOMKDI-HZPDHXFCSA-N	1	0	356.470	1.753	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(C[NH2+]C)CC2)ccc1F	ZINC000237350534	537624621	/nfs/dbraw/zinc/62/46/21/537624621.db2.gz	DGAWIZSIYRYVAD-UHFFFAOYSA-N	1	0	369.462	1.362	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000289928699	537628810	/nfs/dbraw/zinc/62/88/10/537628810.db2.gz	KTWUNVPMWUMMSK-IBGZPJMESA-N	1	0	359.449	1.814	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccc4c(c3)OCC(=O)N4)CC2)C1=O	ZINC000329177992	537635580	/nfs/dbraw/zinc/63/55/80/537635580.db2.gz	NANBEBALCUUYGK-HNNXBMFYSA-N	1	0	372.425	1.667	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1OCC	ZINC000294002559	537638253	/nfs/dbraw/zinc/63/82/53/537638253.db2.gz	OWTNSLYMWZHPCM-SFHVURJKSA-N	1	0	371.481	1.761	20	30		FDEDRO
O=C(C[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)NC(=O)Nc1ccc2c(c1)OCCO2	ZINC000329609526	537640608	/nfs/dbraw/zinc/64/06/08/537640608.db2.gz	BUUQPSMUKRXANL-IACUBPJLSA-N	1	0	361.398	1.663	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1cnn2cc(Br)cnc12	ZINC000294032260	537645044	/nfs/dbraw/zinc/64/50/44/537645044.db2.gz	RPGKUIOYZRYMBC-UHFFFAOYSA-N	1	0	350.220	1.177	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1ccccc1I	ZINC000294055069	537648604	/nfs/dbraw/zinc/64/86/04/537648604.db2.gz	UMHYYOVJMUBPEY-UHFFFAOYSA-N	1	0	356.207	1.976	20	30		FDEDRO
C[C@@H]1C[NH+](CCC2CCN(C(=O)N[C@@H]3CC[S@](=O)C3)CC2)C[C@@H](C)O1	ZINC000330029555	537650135	/nfs/dbraw/zinc/65/01/35/537650135.db2.gz	QFOVFWAEFPPTHA-MBAJFKDKSA-N	1	0	371.547	1.633	20	30		FDEDRO
C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@H](N2CCCC2=O)C1	ZINC000330060436	537651398	/nfs/dbraw/zinc/65/13/98/537651398.db2.gz	MRFYCTYGIUCSJR-YVSFHVDLSA-N	1	0	350.507	1.964	20	30		FDEDRO
CS(=O)(=O)N1CCC(CNC(=O)NCC2CC[NH+](C3CC3)CC2)CC1	ZINC000330232000	537652916	/nfs/dbraw/zinc/65/29/16/537652916.db2.gz	FFTFFSDVTXNXRB-UHFFFAOYSA-N	1	0	372.535	1.036	20	30		FDEDRO
Cc1cnn(-c2c(C(=O)NC[C@H](C)CN3CCOCC3)c(C)nn2C)c1	ZINC000330232206	537653074	/nfs/dbraw/zinc/65/30/74/537653074.db2.gz	RJJRJACOSDNQRN-ZDUSSCGKSA-N	1	0	360.462	1.496	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1cnn(CCO[C@H]2CCCCO2)c1C	ZINC000294110312	537659276	/nfs/dbraw/zinc/65/92/76/537659276.db2.gz	ZAAYSFQFOAIGQN-SFHVURJKSA-N	1	0	362.474	1.420	20	30		FDEDRO
CC(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC(=O)NC2CCCCC2)C1	ZINC000330674798	537659490	/nfs/dbraw/zinc/65/94/90/537659490.db2.gz	QWXOSHZECKOKHW-HIFRSBDPSA-N	1	0	352.479	1.586	20	30		FDEDRO
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)NC[C@@H]1C[N@H+](C)CCN1C	ZINC000330748466	537660979	/nfs/dbraw/zinc/66/09/79/537660979.db2.gz	VPJZUIWDHUOJAK-MRXNPFEDSA-N	1	0	361.490	1.705	20	30		FDEDRO
Cc1ncc(CO)c(/C=N\C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1O	ZINC000285225863	537665168	/nfs/dbraw/zinc/66/51/68/537665168.db2.gz	FUIFMANKRMZYID-ZQDLBQMTSA-N	1	0	360.458	1.090	20	30		FDEDRO
CNS(=O)(=O)c1ccc(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)nc1	ZINC000331194744	537665664	/nfs/dbraw/zinc/66/56/64/537665664.db2.gz	YJTGTPHMXFGUJR-NSHDSACASA-N	1	0	357.480	1.292	20	30		FDEDRO
CC(C)(CNC(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)[NH+]1CCCCC1	ZINC000331197345	537666447	/nfs/dbraw/zinc/66/64/47/537666447.db2.gz	UYWSJEDDUJSJQL-HUUCEWRRSA-N	1	0	374.551	1.615	20	30		FDEDRO
C[NH+]1CCC(CCNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1	ZINC000291821135	537680436	/nfs/dbraw/zinc/68/04/36/537680436.db2.gz	KTPLKMDMTZNXCW-QGZVFWFLSA-N	1	0	357.458	1.848	20	30		FDEDRO
C[NH+](C)CCN1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC1	ZINC000294499660	537703237	/nfs/dbraw/zinc/70/32/37/537703237.db2.gz	RYQXAUJXXOOFEU-UHFFFAOYSA-N	1	0	371.485	1.373	20	30		FDEDRO
N#C[C@H](C(=O)CN1CC[C@H](O)C12CCCC2)c1nc2ccccc2c(=O)[nH]1	ZINC000292609189	537748153	/nfs/dbraw/zinc/74/81/53/537748153.db2.gz	FFCDQZOSVKNKMI-PBHICJAKSA-N	1	0	366.421	1.891	20	30		FDEDRO
C[NH+](C)C[C@](C)(O)CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1	ZINC000285762960	537756959	/nfs/dbraw/zinc/75/69/59/537756959.db2.gz	MODNIYUITACNMT-LJQANCHMSA-N	1	0	362.449	1.343	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NCCC[C@H]2CCC[NH2+]2)C[C@]12C(=O)Nc1ccccc12	ZINC000418761434	537763994	/nfs/dbraw/zinc/76/39/94/537763994.db2.gz	FZGHUFXNKMGKSL-SXGZJXTBSA-N	1	0	367.453	1.574	20	30		FDEDRO
Cc1oc(NC(=O)CN(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(C#N)c1C	ZINC000371260716	537791830	/nfs/dbraw/zinc/79/18/30/537791830.db2.gz	QDMJYZNECWMWMA-QGZVFWFLSA-N	1	0	373.501	1.807	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN([C@H](C)C(=O)Nc3ccccc3C#N)C2)CC1	ZINC000375904877	537798014	/nfs/dbraw/zinc/79/80/14/537798014.db2.gz	LKFKXHVMWBJMNY-IEBWSBKVSA-N	1	0	369.513	1.986	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccc(SC)cc2)C1=O	ZINC000411671350	537817699	/nfs/dbraw/zinc/81/76/99/537817699.db2.gz	LQVBJEHZTLAQSS-YOEHRIQHSA-N	1	0	350.484	1.867	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1	ZINC000366721540	537830731	/nfs/dbraw/zinc/83/07/31/537830731.db2.gz	IXZRMCXTVCMBDV-JVMRMLDLSA-N	1	0	374.485	1.816	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1	ZINC000366724650	537834421	/nfs/dbraw/zinc/83/44/21/537834421.db2.gz	PLIKHFMOFRDUIW-INIZCTEOSA-N	1	0	357.520	1.684	20	30		FDEDRO
CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCSCc1ccccc1C#N	ZINC000418926966	537852967	/nfs/dbraw/zinc/85/29/67/537852967.db2.gz	SEKJRHFJXOTXOX-INIZCTEOSA-N	1	0	362.499	1.397	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(CCC[NH+]2CCCC2)CC1	ZINC000409507174	537855660	/nfs/dbraw/zinc/85/56/60/537855660.db2.gz	LPOSLGHAGLPESI-INIZCTEOSA-N	1	0	356.536	1.911	20	30		FDEDRO
CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNS(=O)(=O)CCCC#N	ZINC000416611556	537903087	/nfs/dbraw/zinc/90/30/87/537903087.db2.gz	XYWHJOYMVLIMME-QZTJIDSGSA-N	1	0	365.499	1.747	20	30		FDEDRO
C[NH+](C)[C@]1(C(=O)N2CCN(c3ncccc3C#N)CC2)CCCSC1	ZINC000372313477	537919622	/nfs/dbraw/zinc/91/96/22/537919622.db2.gz	NIFZGIFGZXTMJB-GOSISDBHSA-N	1	0	359.499	1.429	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1	ZINC000411985755	537922494	/nfs/dbraw/zinc/92/24/94/537922494.db2.gz	SQKYOOZNTYLGLS-FORWCCJISA-N	1	0	356.470	1.630	20	30		FDEDRO
C[C@H]([NH2+][C@@H](CO)[C@H]1CCCOC1)C(=O)N(CCC#N)c1ccc(F)cc1	ZINC000411990856	537925685	/nfs/dbraw/zinc/92/56/85/537925685.db2.gz	IRQBMIRORSUTMA-MPGHIAIKSA-N	1	0	363.433	1.838	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N(C)C2CCN(c3cnccn3)CC2)CC1	ZINC000377039501	537952719	/nfs/dbraw/zinc/95/27/19/537952719.db2.gz	IMFDFRUUNQADSR-UHFFFAOYSA-N	1	0	358.490	1.737	20	30		FDEDRO
C#Cc1ccc(C[NH+]2CCC([C@H](O)c3cn(C)c(=O)n(C)c3=O)CC2)cc1	ZINC000367299979	537956985	/nfs/dbraw/zinc/95/69/85/537956985.db2.gz	LDYLGYXISLWHOA-IBGZPJMESA-N	1	0	367.449	1.011	20	30		FDEDRO
C[NH+]1CCN(Cc2ccc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)CC1	ZINC000369219338	538005054	/nfs/dbraw/zinc/00/50/54/538005054.db2.gz	DIMUTYKTMSBQMN-HXUWFJFHSA-N	1	0	367.497	1.246	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1	ZINC000415323794	538007608	/nfs/dbraw/zinc/00/76/08/538007608.db2.gz	BNWXAAGPVKTQBA-LLVKDONJSA-N	1	0	368.231	1.431	20	30		FDEDRO
Cc1[nH]c(C#N)cc1C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000412769989	538017099	/nfs/dbraw/zinc/01/70/99/538017099.db2.gz	DVKMCXRIYORACA-UHFFFAOYSA-N	1	0	352.438	1.952	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)cc1	ZINC000419296442	538028442	/nfs/dbraw/zinc/02/84/42/538028442.db2.gz	XSRZAGUBSPJTBL-FUHWJXTLSA-N	1	0	366.396	1.267	20	30		FDEDRO
C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000415421775	538040969	/nfs/dbraw/zinc/04/09/69/538040969.db2.gz	VPKUSRKLXDNABR-VIFPVBQESA-N	1	0	358.320	1.243	20	30		FDEDRO
C[C@@H]([NH3+])C1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1	ZINC000415439226	538047218	/nfs/dbraw/zinc/04/72/18/538047218.db2.gz	MQVFWKHVWVCTFE-GFCCVEGCSA-N	1	0	356.405	2.474	20	30		FDEDRO
N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1	ZINC000415454866	538059070	/nfs/dbraw/zinc/05/90/70/538059070.db2.gz	OUTXSNLCTZQNRC-HNNXBMFYSA-N	1	0	365.393	1.538	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000369861829	538072148	/nfs/dbraw/zinc/07/21/48/538072148.db2.gz	LJVPNLYTBZMBLU-KRWDZBQOSA-N	1	0	356.474	1.706	20	30		FDEDRO
C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1	ZINC000415695709	538083193	/nfs/dbraw/zinc/08/31/93/538083193.db2.gz	SVNCTECNCAXLPT-HNNXBMFYSA-N	1	0	365.231	1.457	20	30		FDEDRO
Cc1ccc(NC(=O)C(=O)NCC2(C#N)CCC2)c(OCC[NH+](C)C)c1	ZINC000419810680	538094367	/nfs/dbraw/zinc/09/43/67/538094367.db2.gz	BDXOQGJZMVFRPN-UHFFFAOYSA-N	1	0	358.442	1.684	20	30		FDEDRO
CC(=O)N(C)c1ccccc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000438753283	538131715	/nfs/dbraw/zinc/13/17/15/538131715.db2.gz	MZKPXCOLEUYJHK-UHFFFAOYSA-N	1	0	373.457	1.302	20	30		FDEDRO
N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+](CCO)C2CCC2)CC1	ZINC000439289499	538165695	/nfs/dbraw/zinc/16/56/95/538165695.db2.gz	LWCLPNRBILQOQS-IBGZPJMESA-N	1	0	374.460	1.381	20	30		FDEDRO
CCOC(=O)[C@H]1C[N@H+](CCC(=O)Nc2cccc(C#N)c2)CC12COC2	ZINC000451137250	538193270	/nfs/dbraw/zinc/19/32/70/538193270.db2.gz	OPXZQUGHGKFUGV-MRXNPFEDSA-N	1	0	357.410	1.398	20	30		FDEDRO
N#Cc1cccc([C@H]2CN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)CCO2)c1	ZINC000420091526	538215420	/nfs/dbraw/zinc/21/54/20/538215420.db2.gz	UVPBIBDXDRZTBR-ZWKOTPCHSA-N	1	0	370.453	1.092	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC23CCSCC3)CC1	ZINC000422299087	538219080	/nfs/dbraw/zinc/21/90/80/538219080.db2.gz	SWLZEFGRJXVJID-AWEZNQCLSA-N	1	0	351.516	1.403	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000433344492	538227284	/nfs/dbraw/zinc/22/72/84/538227284.db2.gz	RXBUMIHITJXDII-SJORKVTESA-N	1	0	352.442	1.863	20	30		FDEDRO
CC(C)(C)c1ccc(S(=O)(=O)CCNC(=O)[C@@H]([NH3+])CCCC#N)cc1	ZINC000424111518	538235615	/nfs/dbraw/zinc/23/56/15/538235615.db2.gz	APLLAEWNQYAISX-INIZCTEOSA-N	1	0	365.499	1.895	20	30		FDEDRO
COc1ccc(CNC(=O)C2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)cc1	ZINC000424111532	538235785	/nfs/dbraw/zinc/23/57/85/538235785.db2.gz	HLAVYWZYLPOTDA-SFHVURJKSA-N	1	0	372.469	1.571	20	30		FDEDRO
Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1	ZINC000424123239	538241139	/nfs/dbraw/zinc/24/11/39/538241139.db2.gz	KPBFHOQTEBBQSP-DLBZAZTESA-N	1	0	372.469	1.454	20	30		FDEDRO
COc1ccc([C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)N2CCOCC2)cc1	ZINC000424145891	538245632	/nfs/dbraw/zinc/24/56/32/538245632.db2.gz	ZUXVZDWJDNUNLC-ROUUACIJSA-N	1	0	360.458	1.206	20	30		FDEDRO
CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000424152211	538247804	/nfs/dbraw/zinc/24/78/04/538247804.db2.gz	JBVLDIBMBHVIHT-FHWLQOOXSA-N	1	0	358.486	1.803	20	30		FDEDRO
CN1CC[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1=O	ZINC000424195657	538252678	/nfs/dbraw/zinc/25/26/78/538252678.db2.gz	ZIVDWRBVLPYTPH-HNNXBMFYSA-N	1	0	352.442	1.817	20	30		FDEDRO
COC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)C[C@H]1c1ccc(F)cc1F	ZINC000424218260	538256192	/nfs/dbraw/zinc/25/61/92/538256192.db2.gz	RVTIEIDAYMMZTG-LZWOXQAQSA-N	1	0	365.380	1.701	20	30		FDEDRO
C=C(C)Cn1c(-c2ncccn2)nnc1N1CC[NH+](C(C)(C)COC)CC1	ZINC000424219836	538258072	/nfs/dbraw/zinc/25/80/72/538258072.db2.gz	FNGZWJPZALKAFV-UHFFFAOYSA-N	1	0	371.489	1.858	20	30		FDEDRO
CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000446144962	538277817	/nfs/dbraw/zinc/27/78/17/538277817.db2.gz	JNXRCLJCKVMSCE-MDYRTPRTSA-N	1	0	369.469	1.134	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NCC(C)(C)CC#N	ZINC000422493630	538284752	/nfs/dbraw/zinc/28/47/52/538284752.db2.gz	YRUVKZYHEQKKGL-UHFFFAOYSA-N	1	0	362.449	1.772	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)Nc3cc(C#N)cn3C(C)(C)C)C[C@H]2[NH3+])cn1	ZINC000424418572	538293109	/nfs/dbraw/zinc/29/31/09/538293109.db2.gz	PYETYMHKIYTDGO-LSDHHAIUSA-N	1	0	355.446	1.807	20	30		FDEDRO
C=CC[N@@H+](C)CCN(CC)CC(=O)Nc1ccc(S(C)(=O)=O)cc1	ZINC000429727311	538366157	/nfs/dbraw/zinc/36/61/57/538366157.db2.gz	WOCNDZFCAPUFQG-UHFFFAOYSA-N	1	0	353.488	1.468	20	30		FDEDRO
COCC1(O)CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1	ZINC000435124258	538382363	/nfs/dbraw/zinc/38/23/63/538382363.db2.gz	NLEHDOOLILHZCZ-UHFFFAOYSA-N	1	0	355.442	1.832	20	30		FDEDRO
C=CCN(C(=O)C[NH2+]C[C@H]1CCCO1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000430528444	538390899	/nfs/dbraw/zinc/39/08/99/538390899.db2.gz	YDCJSAJXKPEKDK-CRAIPNDOSA-N	1	0	370.457	1.507	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)C[C@H]1C[NH3+]	ZINC000423526560	538399377	/nfs/dbraw/zinc/39/93/77/538399377.db2.gz	LOUZXJMUBNKJKR-NXWXRZEISA-N	1	0	368.481	1.728	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2CCO)c(Cl)c1	ZINC000453829514	538460964	/nfs/dbraw/zinc/46/09/64/538460964.db2.gz	ZQEGYEXNHXXSRI-ZDUSSCGKSA-N	1	0	364.833	1.113	20	30		FDEDRO
C=C[C@@H](CO)NC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000460273585	538477658	/nfs/dbraw/zinc/47/76/58/538477658.db2.gz	JGVSFBKFZBHVJD-INIZCTEOSA-N	1	0	366.893	1.698	20	30		FDEDRO
C=CCC[C@@H](CO)NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000457723740	538510501	/nfs/dbraw/zinc/51/05/01/538510501.db2.gz	UYUDCZKLUGUGOE-SFHVURJKSA-N	1	0	360.502	1.825	20	30		FDEDRO
C=CCCN(C)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-]	ZINC000466387334	538537526	/nfs/dbraw/zinc/53/75/26/538537526.db2.gz	JBRZCDAYJDPVOS-UHFFFAOYSA-N	1	0	356.448	1.447	20	30		FDEDRO
C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)N[C@@H]3CCC[C@H]3C#N)cn2)CC1	ZINC000461780989	538565062	/nfs/dbraw/zinc/56/50/62/538565062.db2.gz	ZYIYOKXIKBMKBK-XJKSGUPXSA-N	1	0	371.441	1.302	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@H](C)n1cnc(C#N)n1	ZINC000467261290	538634803	/nfs/dbraw/zinc/63/48/03/538634803.db2.gz	UGBIESPLEDDPNU-RDJZCZTQSA-N	1	0	367.457	1.619	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000487781138	538679865	/nfs/dbraw/zinc/67/98/65/538679865.db2.gz	JGUKUDSASOUXFZ-JKSUJKDBSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)Cc2ccc(O)cc2)CC1	ZINC000477727267	538680550	/nfs/dbraw/zinc/68/05/50/538680550.db2.gz	OFHHYUVLIXPKJY-HNNXBMFYSA-N	1	0	359.470	1.596	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCOCC[NH+](C)C)cc1	ZINC000483562945	538713824	/nfs/dbraw/zinc/71/38/24/538713824.db2.gz	OWHYCBFLTGLJOB-CYBMUJFWSA-N	1	0	368.459	1.072	20	30		FDEDRO
C[NH+](C)[C@@]1(CNS(=O)(=O)c2ccc(C#N)cc2Cl)CCSC1	ZINC000503476782	538807712	/nfs/dbraw/zinc/80/77/12/538807712.db2.gz	PCVCRQBADXNAGY-CQSZACIVSA-N	1	0	359.904	1.927	20	30		FDEDRO
CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000473951225	538809407	/nfs/dbraw/zinc/80/94/07/538809407.db2.gz	ZYGVIFXQJKXFSV-UHFFFAOYSA-N	1	0	366.443	1.963	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000474172835	538823915	/nfs/dbraw/zinc/82/39/15/538823915.db2.gz	GDVUJASXVVQBGR-MRXNPFEDSA-N	1	0	351.472	1.680	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1	ZINC000560750862	545593883	/nfs/dbraw/zinc/59/38/83/545593883.db2.gz	RBLRYHUZGTURIR-MRXNPFEDSA-N	1	0	373.501	1.311	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1	ZINC000560750859	545594014	/nfs/dbraw/zinc/59/40/14/545594014.db2.gz	RBLRYHUZGTURIR-INIZCTEOSA-N	1	0	373.501	1.311	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)CC1	ZINC000560838055	545617068	/nfs/dbraw/zinc/61/70/68/545617068.db2.gz	FBQGIKRATGNVQG-MOPGFXCFSA-N	1	0	370.497	1.937	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2cnn(C(C)C)c2)CC1	ZINC000561450370	545856472	/nfs/dbraw/zinc/85/64/72/545856472.db2.gz	GVKWFDZGCVNVKS-HNNXBMFYSA-N	1	0	361.490	1.798	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CC[C@H]([NH+](CC)CC)C1	ZINC000561952851	545991278	/nfs/dbraw/zinc/99/12/78/545991278.db2.gz	UNFRRUGNVDJBEE-KRWDZBQOSA-N	1	0	359.470	1.810	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](C(=O)NCCNc3cc[nH+]cc3)C2)c(F)c1	ZINC000562287564	546078635	/nfs/dbraw/zinc/07/86/35/546078635.db2.gz	KGOZTHZZWNCAIC-HNNXBMFYSA-N	1	0	353.401	1.569	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(c2nc3c(cc2C#N)COCC3)CC1	ZINC000562692193	546226778	/nfs/dbraw/zinc/22/67/78/546226778.db2.gz	XOYVLTLXBGMGPE-SFHVURJKSA-N	1	0	355.486	1.632	20	30		FDEDRO
CN(C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@H]1CCC[NH2+]CC1	ZINC000562761469	546257123	/nfs/dbraw/zinc/25/71/23/546257123.db2.gz	PWJQFKXZXCZXEM-AWEZNQCLSA-N	1	0	356.405	2.489	20	30		FDEDRO
CN(C)C(=O)C1(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CCCC1	ZINC000562999366	546348637	/nfs/dbraw/zinc/34/86/37/546348637.db2.gz	LGFZZXZJNKMDRV-UHFFFAOYSA-N	1	0	363.483	1.570	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1Br	ZINC000563129240	546417507	/nfs/dbraw/zinc/41/75/07/546417507.db2.gz	GUSBSIJBFNRYBA-RISCZKNCSA-N	1	0	370.272	1.693	20	30		FDEDRO
CC(C)[NH2+]CCCNC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000563648631	546631948	/nfs/dbraw/zinc/63/19/48/546631948.db2.gz	OKVCXPFKZJDPQJ-UHFFFAOYSA-N	1	0	372.469	1.432	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)c1ccc(NC(=O)NC2CC2)cc1	ZINC000563805377	546691007	/nfs/dbraw/zinc/69/10/07/546691007.db2.gz	FKJLCTKMQGVLFF-KBXCAEBGSA-N	1	0	359.474	1.827	20	30		FDEDRO
N#Cc1nccc(N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)n1	ZINC000564226017	546852409	/nfs/dbraw/zinc/85/24/09/546852409.db2.gz	OLBWIGBPJKUYGS-KRWDZBQOSA-N	1	0	363.469	1.782	20	30		FDEDRO
COC(=O)c1ccc(OC[C@@H](O)C[NH2+]CC#Cc2cccc(F)c2)cc1	ZINC000564869120	547074038	/nfs/dbraw/zinc/07/40/38/547074038.db2.gz	OQJQNHNGQMLKTL-SFHVURJKSA-N	1	0	357.381	1.993	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCc3nnnn3CC2)c(OC)c1	ZINC000566119223	547613720	/nfs/dbraw/zinc/61/37/20/547613720.db2.gz	UQACLNIPWHBGTI-CVEARBPZSA-N	1	0	373.457	1.145	20	30		FDEDRO
CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)[C@H]1n1cccn1	ZINC000566122152	547615004	/nfs/dbraw/zinc/61/50/04/547615004.db2.gz	YSIHLNIFOCQICN-IJXRJRJASA-N	1	0	370.453	1.697	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(C#N)n2)[C@@H](C)C1	ZINC000566204043	547657457	/nfs/dbraw/zinc/65/74/57/547657457.db2.gz	DJCXQOGZRGFMRK-HOCLYGCPSA-N	1	0	373.457	1.145	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2scc(C)c2C#N)CC1	ZINC000566420951	547750306	/nfs/dbraw/zinc/75/03/06/547750306.db2.gz	STTCPQJMSKDJIB-UHFFFAOYSA-N	1	0	363.487	1.946	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCOCC(F)(F)C(F)F)cc1	ZINC000566615877	547827546	/nfs/dbraw/zinc/82/75/46/547827546.db2.gz	UWCIVPZSAVDAIE-UHFFFAOYSA-N	1	0	368.352	1.839	20	30		FDEDRO
COc1ccc([C@H](CO)C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cc1	ZINC000566738612	547870076	/nfs/dbraw/zinc/87/00/76/547870076.db2.gz	YQMDAPMXNUUBOP-KRWDZBQOSA-N	1	0	374.462	1.706	20	30		FDEDRO
CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000566962905	547944653	/nfs/dbraw/zinc/94/46/53/547944653.db2.gz	SDUZITKZORHNRK-HZPDHXFCSA-N	1	0	357.458	1.894	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCO[C@@H](C(C)(C)C)C2)CC1	ZINC000567188727	548026311	/nfs/dbraw/zinc/02/63/11/548026311.db2.gz	ZPIRNUFXLDSQLB-JKSUJKDBSA-N	1	0	351.491	1.463	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]CCCNC(=O)c2ccccc2)c1	ZINC000567683139	548211052	/nfs/dbraw/zinc/21/10/52/548211052.db2.gz	IKAGIMGQUIWJEA-UHFFFAOYSA-N	1	0	371.462	1.742	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	ZINC000568196138	548435503	/nfs/dbraw/zinc/43/55/03/548435503.db2.gz	CSNVEBMSMKFWCT-SJORKVTESA-N	1	0	351.491	1.912	20	30		FDEDRO
N#Cc1cccnc1OC1CCC([NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)CC1	ZINC000568499923	548561723	/nfs/dbraw/zinc/56/17/23/548561723.db2.gz	ZSECQGWPPMVEDH-BTRQGYIVSA-N	1	0	356.470	2.000	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)[C@H]1CCC[NH2+]C1	ZINC000568608987	548604558	/nfs/dbraw/zinc/60/45/58/548604558.db2.gz	QVOWJSPQGQXXBN-HOCLYGCPSA-N	1	0	359.449	1.917	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCC[N@@H+](C)Cc2ccccc2)ncc1C#N	ZINC000568763891	548671720	/nfs/dbraw/zinc/67/17/20/548671720.db2.gz	DVTBGANRJUJTOE-UHFFFAOYSA-N	1	0	351.410	1.448	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000569060840	548780707	/nfs/dbraw/zinc/78/07/07/548780707.db2.gz	DROFUCXCYNDNCC-QZTJIDSGSA-N	1	0	354.454	1.650	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NCc1ccccc1C[NH+]1CCCC1	ZINC000569792436	549048130	/nfs/dbraw/zinc/04/81/30/549048130.db2.gz	FMSXLOVSTRFMHY-UHFFFAOYSA-N	1	0	359.470	1.560	20	30		FDEDRO
CN1CC[N@H+](CCCNc2ccc(C#N)c(N)n2)[C@@H](c2ccccc2)C1	ZINC000570344149	549246259	/nfs/dbraw/zinc/24/62/59/549246259.db2.gz	SLJVMOJEVSPSQB-GOSISDBHSA-N	1	0	350.470	2.326	20	30		FDEDRO
N#Cc1c(N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)nc2cc(Cl)ccn21	ZINC000570429556	549277056	/nfs/dbraw/zinc/27/70/56/549277056.db2.gz	PCWFZVAZPLFDBZ-ZDUSSCGKSA-N	1	0	372.860	1.508	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000570679372	549371934	/nfs/dbraw/zinc/37/19/34/549371934.db2.gz	UGVYDBPGCCHALD-MSOLQXFVSA-N	1	0	371.485	1.021	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)cc1	ZINC000570794585	549413894	/nfs/dbraw/zinc/41/38/94/549413894.db2.gz	ZBSJIMWPZQGUMP-IEBWSBKVSA-N	1	0	365.433	1.887	20	30		FDEDRO
C[N@H+](CCOc1cccc(CNc2ccnc(C#N)n2)c1)C1CCOCC1	ZINC000570815910	549422379	/nfs/dbraw/zinc/42/23/79/549422379.db2.gz	HVOLRNXBTWUFQM-UHFFFAOYSA-N	1	0	367.453	1.872	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC[NH+](C)C	ZINC000571142806	549539477	/nfs/dbraw/zinc/53/94/77/549539477.db2.gz	IDQZNQLUQODPAW-QYZOEREBSA-N	1	0	371.481	1.209	20	30		FDEDRO
C[C@H]([NH2+][C@@H](CO)[C@H]1CCCOC1)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000571263295	549582964	/nfs/dbraw/zinc/58/29/64/549582964.db2.gz	YEOQZSMEVQMLHL-HUBLWGQQSA-N	1	0	363.483	1.813	20	30		FDEDRO
COC(=O)CC[N@H+](CCC(=O)Nc1cccc(C#N)c1)C[C@H]1CCCO1	ZINC000571487511	549662536	/nfs/dbraw/zinc/66/25/36/549662536.db2.gz	QEXGOBUJNSXCAG-QGZVFWFLSA-N	1	0	359.426	1.931	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)NCc2ccc(C[NH3+])cc2)CC1	ZINC000571520370	549674547	/nfs/dbraw/zinc/67/45/47/549674547.db2.gz	SXHWSPHANGMSML-UHFFFAOYSA-N	1	0	350.426	1.444	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCc2ccc(F)cc2F)CC1	ZINC000571587200	549699954	/nfs/dbraw/zinc/69/99/54/549699954.db2.gz	GMEQWQUILLDKIC-UHFFFAOYSA-N	1	0	365.424	1.780	20	30		FDEDRO
Cn1cc([C@@H]2C[N@H+](CCC(=O)Nc3cccc(C#N)c3)C[C@H]2CO)cn1	ZINC000571607859	549705624	/nfs/dbraw/zinc/70/56/24/549705624.db2.gz	DGSJSCBNEHJEHM-WMZOPIPTSA-N	1	0	353.426	1.328	20	30		FDEDRO
CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC(=O)NCc3ccc(C#N)cc3)[C@@H]2C1	ZINC000571989429	549817868	/nfs/dbraw/zinc/81/78/68/549817868.db2.gz	WOIRVYFRUGGOJM-OTWHNJEPSA-N	1	0	354.454	1.411	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O	ZINC000572029815	549826885	/nfs/dbraw/zinc/82/68/85/549826885.db2.gz	XYVOICOAIVLJFV-BBRMVZONSA-N	1	0	368.840	1.380	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O	ZINC000572029817	549827042	/nfs/dbraw/zinc/82/70/42/549827042.db2.gz	XYVOICOAIVLJFV-CZUORRHYSA-N	1	0	368.840	1.380	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)n2)c(F)c1	ZINC000572224731	549868149	/nfs/dbraw/zinc/86/81/49/549868149.db2.gz	LXEOSVFEKURXPM-UONOGXRCSA-N	1	0	354.389	1.956	20	30		FDEDRO
C[C@@H]1C[C@H](N2CCOCC2)CN1S(=O)(=O)Cc1ccc(CC#N)cc1	ZINC000572239305	549871641	/nfs/dbraw/zinc/87/16/41/549871641.db2.gz	UQJDQZTYKICQSD-QAPCUYQASA-N	1	0	363.483	1.377	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)NCc2ccc(CC#N)cc2)CC1	ZINC000572995502	550041374	/nfs/dbraw/zinc/04/13/74/550041374.db2.gz	GYMTUKVJLOOUOB-KRWDZBQOSA-N	1	0	357.502	1.825	20	30		FDEDRO
C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1CC[NH+](CC2CC2)CC1	ZINC000573178358	550080373	/nfs/dbraw/zinc/08/03/73/550080373.db2.gz	FJNPKKXBCQHFPS-UHFFFAOYSA-N	1	0	356.478	1.490	20	30		FDEDRO
CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCc1ccc(CC#N)cc1	ZINC000573682620	550191680	/nfs/dbraw/zinc/19/16/80/550191680.db2.gz	LVWXCMKLMIDOHS-SFHVURJKSA-N	1	0	356.470	1.750	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCN(CC(F)(F)F)C2)cc1	ZINC000573794397	550211996	/nfs/dbraw/zinc/21/19/96/550211996.db2.gz	KHYDECSDHVLKAQ-CABCVRRESA-N	1	0	357.376	1.719	20	30		FDEDRO
N#CC1CCC(CNC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CC1	ZINC000574623669	550343729	/nfs/dbraw/zinc/34/37/29/550343729.db2.gz	YIDZDBANMHWCPX-ZGUYJTEBSA-N	1	0	360.502	1.813	20	30		FDEDRO
N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC(=O)N(CCN3CCOCC3)C1)CC2	ZINC000575959433	550495141	/nfs/dbraw/zinc/49/51/41/550495141.db2.gz	YBGZLYZPCYIJSU-IEBWSBKVSA-N	1	0	354.454	1.068	20	30		FDEDRO
N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC(=O)N(CCN3CCOCC3)C1)CC2	ZINC000575959434	550495238	/nfs/dbraw/zinc/49/52/38/550495238.db2.gz	YBGZLYZPCYIJSU-MJGOQNOKSA-N	1	0	354.454	1.068	20	30		FDEDRO
C[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)Oc1cccc(F)c1	ZINC000576220421	550524276	/nfs/dbraw/zinc/52/42/76/550524276.db2.gz	QEBSMPCSIFFNFU-CYBMUJFWSA-N	1	0	363.414	1.923	20	30		FDEDRO
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1	ZINC000576727869	550579652	/nfs/dbraw/zinc/57/96/52/550579652.db2.gz	GNIHMPHXILGZHV-TZMCWYRMSA-N	1	0	370.844	2.471	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)nn1	ZINC000576747381	550581555	/nfs/dbraw/zinc/58/15/55/550581555.db2.gz	RKQCNLBAHATKMU-SFHVURJKSA-N	1	0	368.485	1.573	20	30		FDEDRO
N#Cc1cccc(CC[NH2+]C[C@H](O)Cn2c(=O)onc2-c2ccccc2)c1	ZINC000577216727	550633428	/nfs/dbraw/zinc/63/34/28/550633428.db2.gz	RYOSQMCFHLLLFG-SFHVURJKSA-N	1	0	364.405	1.568	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCC2(CCOC)CCCC2)CC1	ZINC000577427504	550655281	/nfs/dbraw/zinc/65/52/81/550655281.db2.gz	JAXDQRHHKFTBFU-UHFFFAOYSA-N	1	0	351.491	1.466	20	30		FDEDRO
Cc1ccccc1C[NH+]1CCC(NC(=O)Cn2cc(C#N)ccc2=O)CC1	ZINC000577507880	550664353	/nfs/dbraw/zinc/66/43/53/550664353.db2.gz	AMHUOYBFKJCYQL-UHFFFAOYSA-N	1	0	364.449	1.809	20	30		FDEDRO
CN(C)C[C@](C)(C#N)NC(=O)CN(C)C(=O)c1ccc(Br)o1	ZINC000577519254	550665637	/nfs/dbraw/zinc/66/56/37/550665637.db2.gz	TVVWIUUEUQSDIQ-AWEZNQCLSA-N	1	0	371.235	1.074	20	30		FDEDRO
COC(=O)c1ccc(C[NH2+]C[C@H]2CNc3c(C#N)cnn3C2)cc1OC	ZINC000577653590	550680201	/nfs/dbraw/zinc/68/02/01/550680201.db2.gz	DZWJMBUEACTHDN-ZDUSSCGKSA-N	1	0	355.398	1.381	20	30		FDEDRO
C=CCOc1cccc(C[N@@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1	ZINC000577709230	550685445	/nfs/dbraw/zinc/68/54/45/550685445.db2.gz	DNXZMUGMYGEHLQ-PMACEKPBSA-N	1	0	370.497	1.972	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@H]1CCCOC1	ZINC000577943982	550711089	/nfs/dbraw/zinc/71/10/89/550711089.db2.gz	MXGNHBLYZTVEDG-HOTGVXAUSA-N	1	0	362.499	1.568	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCC[C@H]2CCCC[C@H]2O)nc1	ZINC000578192796	550737655	/nfs/dbraw/zinc/73/76/55/550737655.db2.gz	AJLKQSLZJSOAQH-HZPDHXFCSA-N	1	0	351.472	1.648	20	30		FDEDRO
Cn1ccnc1[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CCO1	ZINC000578316611	550750990	/nfs/dbraw/zinc/75/09/90/550750990.db2.gz	BCMDHWMJSUIVGG-LMMKCTJWSA-N	1	0	370.453	1.736	20	30		FDEDRO
OC[C@@H](NCC#CC[NH2+][C@H](CO)c1cccc(F)c1)c1cccc(F)c1	ZINC000578531504	550773766	/nfs/dbraw/zinc/77/37/66/550773766.db2.gz	LHHLBXYVYBLGHQ-WOJBJXKFSA-N	1	0	360.404	1.914	20	30		FDEDRO
Cc1ccc2nc(C[N@@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)cc(=O)n2c1	ZINC000579066586	550831256	/nfs/dbraw/zinc/83/12/56/550831256.db2.gz	NCIOCGWJKOAYQL-QGZVFWFLSA-N	1	0	361.405	1.923	20	30		FDEDRO
C[C@@H](COCC(F)(F)F)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000579222348	550848946	/nfs/dbraw/zinc/84/89/46/550848946.db2.gz	KSVXSNDYEAYCCC-JTQLQIEISA-N	1	0	351.350	1.284	20	30		FDEDRO
C[NH+](C)CCOc1cnccc1CNC(=O)COc1ccc(C#N)cc1	ZINC000579522835	550882280	/nfs/dbraw/zinc/88/22/80/550882280.db2.gz	AFKQPRDKFKQEHP-UHFFFAOYSA-N	1	0	354.410	1.589	20	30		FDEDRO
COCC[C@]1([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCOC1	ZINC000579671667	550897569	/nfs/dbraw/zinc/89/75/69/550897569.db2.gz	QNTQYBNTKSVRGK-IBGZPJMESA-N	1	0	369.425	1.468	20	30		FDEDRO
C[C@H](NS(=O)(=O)c1cccc(Br)c1C#N)[C@H]1CCC[NH2+]C1	ZINC000580193421	550953574	/nfs/dbraw/zinc/95/35/74/550953574.db2.gz	AVZZGFSJMJKJNF-QWRGUYRKSA-N	1	0	372.288	1.987	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NCCc2cn3ccccc3n2)cc1F	ZINC000580369557	550971704	/nfs/dbraw/zinc/97/17/04/550971704.db2.gz	SWNFSBWELAYCGX-UHFFFAOYSA-N	1	0	351.341	1.642	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)N(C3CC3)[C@@H]3CC[NH2+]C3)C2=O)cc1	ZINC000580420334	550980164	/nfs/dbraw/zinc/98/01/64/550980164.db2.gz	RKWHKRUZOWYSPT-QZTJIDSGSA-N	1	0	367.453	1.590	20	30		FDEDRO
C[C@@H]1CCCN(C(C)(C)C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000580423227	550980762	/nfs/dbraw/zinc/98/07/62/550980762.db2.gz	KCDDGPACJXRQBF-OAHLLOKOSA-N	1	0	364.515	1.827	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CCN(C(=O)N[C@@H]3C[C@H]3C3CC[NH2+]CC3)C2)nc1	ZINC000580823729	551022178	/nfs/dbraw/zinc/02/21/78/551022178.db2.gz	LETBJMXSRXBJNK-YESZJQIVSA-N	1	0	355.442	1.504	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1	ZINC000581034311	551044997	/nfs/dbraw/zinc/04/49/97/551044997.db2.gz	UZSGXVJDCNBJEK-GOSISDBHSA-N	1	0	373.497	1.818	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)C[C@@H]21	ZINC000581767712	551133516	/nfs/dbraw/zinc/13/35/16/551133516.db2.gz	RTSRFFZSRITXBP-YGRLFVJLSA-N	1	0	359.373	1.902	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)c1C#N	ZINC000581933853	551151664	/nfs/dbraw/zinc/15/16/64/551151664.db2.gz	XKOLNQIDQWHGMD-SOUVJXGZSA-N	1	0	374.514	1.543	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCc3cnn(C(C)C)c3C2)CC1	ZINC000581950563	551154994	/nfs/dbraw/zinc/15/49/94/551154994.db2.gz	NFWFZEBVUPORNT-KRWDZBQOSA-N	1	0	373.501	1.204	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCc2ccc(C#N)s2)CC1=O	ZINC000582056261	551169496	/nfs/dbraw/zinc/16/94/96/551169496.db2.gz	GBPFHQNICCRCRN-KBPBESRZSA-N	1	0	360.483	1.569	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1	ZINC000582112049	551177345	/nfs/dbraw/zinc/17/73/45/551177345.db2.gz	JHSDJNANKCTHGJ-AWEZNQCLSA-N	1	0	360.483	1.105	20	30		FDEDRO
C=CCOc1ccccc1C(=O)NCC(=O)NCC[NH+]1CCCCCC1	ZINC000582376259	551215352	/nfs/dbraw/zinc/21/53/52/551215352.db2.gz	IMZQPTSNOQGADE-UHFFFAOYSA-N	1	0	359.470	1.973	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H](CCO)c1ccccc1Br	ZINC000582486186	551230701	/nfs/dbraw/zinc/23/07/01/551230701.db2.gz	HJPOVAHPGPRAMK-CZUORRHYSA-N	1	0	370.291	1.669	20	30		FDEDRO
N#Cc1nccc(N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)n1	ZINC000582496838	551232947	/nfs/dbraw/zinc/23/29/47/551232947.db2.gz	KFZWNPJAOIMRSD-UHFFFAOYSA-N	1	0	356.474	1.557	20	30		FDEDRO
N#Cc1ccc(=O)n(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1	ZINC000582618362	551248601	/nfs/dbraw/zinc/24/86/01/551248601.db2.gz	ZBHKUZDNVYQXEQ-UHFFFAOYSA-N	1	0	368.462	1.907	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCc2ccc(CC#N)cc2)C1	ZINC000582904068	551279432	/nfs/dbraw/zinc/27/94/32/551279432.db2.gz	XZTGPFQIKWNJPQ-GOSISDBHSA-N	1	0	356.470	1.605	20	30		FDEDRO
CCO[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)[C@]12CCCO2	ZINC000583808296	551404594	/nfs/dbraw/zinc/40/45/94/551404594.db2.gz	JDHKCABHSUZIRY-ZMSDIMECSA-N	1	0	365.455	1.043	20	30		FDEDRO
COC(=O)c1ccc(N2CCC(CC[NH+]3CCOCC3)CC2)c(C#N)n1	ZINC000583822923	551407173	/nfs/dbraw/zinc/40/71/73/551407173.db2.gz	CBMCMEQCVAXMKO-UHFFFAOYSA-N	1	0	358.442	1.679	20	30		FDEDRO
CNC(=O)c1cccc(CC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)c1	ZINC000584227227	551466982	/nfs/dbraw/zinc/46/69/82/551466982.db2.gz	KWYCXCWSPMKLBD-UHFFFAOYSA-N	1	0	371.462	1.524	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CC23CCSCC3)nc1	ZINC000584227224	551467030	/nfs/dbraw/zinc/46/70/30/551467030.db2.gz	KPZRXEHAUMBOBA-CQSZACIVSA-N	1	0	351.497	1.850	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1CCN(c2ccc(Br)cn2)CC1	ZINC000584527004	551511945	/nfs/dbraw/zinc/51/19/45/551511945.db2.gz	QHKPAFFCLVBXQC-ZDUSSCGKSA-N	1	0	366.263	1.514	20	30		FDEDRO
C[C@H](CCC#N)C[NH2+]C[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1	ZINC000585727564	551588328	/nfs/dbraw/zinc/58/83/28/551588328.db2.gz	WDWOBCOGRPGANB-SJORKVTESA-N	1	0	372.517	1.363	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1)c1cccc(C#N)c1	ZINC000585776120	551597498	/nfs/dbraw/zinc/59/74/98/551597498.db2.gz	GEYLUOCQWMKOKE-INIZCTEOSA-N	1	0	364.449	1.984	20	30		FDEDRO
Cc1onc(CC(=O)N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)c1C#N	ZINC000585818202	551611291	/nfs/dbraw/zinc/61/12/91/551611291.db2.gz	ONRIPNMAEYNAGP-IFXJQAMLSA-N	1	0	370.457	1.672	20	30		FDEDRO
CN(C(=O)Cc1c(F)cccc1C#N)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000586779729	551618655	/nfs/dbraw/zinc/61/86/55/551618655.db2.gz	LUXMNPSIOFTHSK-KRWDZBQOSA-N	1	0	358.461	1.867	20	30		FDEDRO
CC[NH+](CC)CC1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1	ZINC000586863477	551627511	/nfs/dbraw/zinc/62/75/11/551627511.db2.gz	OGBWOTVKDKBNGX-UHFFFAOYSA-N	1	0	374.460	1.894	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CCCC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1	ZINC000588860571	551694216	/nfs/dbraw/zinc/69/42/16/551694216.db2.gz	ITPQNOVVFKRRFC-DLBZAZTESA-N	1	0	370.453	1.335	20	30		FDEDRO
N#Cc1cccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)n1	ZINC000589485371	551733200	/nfs/dbraw/zinc/73/32/00/551733200.db2.gz	LAMSXVGXAQOPFU-GOSISDBHSA-N	1	0	350.422	1.840	20	30		FDEDRO
C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@H](O)CN1CCOCC1	ZINC000589502258	551733882	/nfs/dbraw/zinc/73/38/82/551733882.db2.gz	RWJNGJNCSZEMOU-HNNXBMFYSA-N	1	0	357.376	1.702	20	30		FDEDRO
CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000589608806	551737854	/nfs/dbraw/zinc/73/78/54/551737854.db2.gz	FQRQOXUTIUKBCB-OAHLLOKOSA-N	1	0	358.490	1.950	20	30		FDEDRO
COc1cc(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1C#N	ZINC000589626287	551739143	/nfs/dbraw/zinc/73/91/43/551739143.db2.gz	CIYPTLGATHYXHC-QZTJIDSGSA-N	1	0	372.469	1.744	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)[C@@H]2C1	ZINC000590010321	551756524	/nfs/dbraw/zinc/75/65/24/551756524.db2.gz	BVTHVXXIOVOYKN-YESZJQIVSA-N	1	0	373.526	1.093	20	30		FDEDRO
C[N@H+]1C[C@H]2[C@@H](CCN2CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1	ZINC000590010318	551756701	/nfs/dbraw/zinc/75/67/01/551756701.db2.gz	BVTHVXXIOVOYKN-BBWFWOEESA-N	1	0	373.526	1.093	20	30		FDEDRO
C[N@@H+]1CCC[C@H](NC(=O)COc2cccc(Br)c2C#N)C1	ZINC000590665191	551802952	/nfs/dbraw/zinc/80/29/52/551802952.db2.gz	ZZWMVQYULUCSIB-NSHDSACASA-N	1	0	352.232	1.910	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)cc1	ZINC000591054467	551839294	/nfs/dbraw/zinc/83/92/94/551839294.db2.gz	CGMXTMYWXZCNJV-MRXNPFEDSA-N	1	0	365.499	1.707	20	30		FDEDRO
COC(=O)[C@@H]1CSCC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000591059494	551840500	/nfs/dbraw/zinc/84/05/00/551840500.db2.gz	BEAWTQQPBZDGNT-HOTGVXAUSA-N	1	0	364.467	1.330	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)CC2)C1	ZINC000591063118	551840631	/nfs/dbraw/zinc/84/06/31/551840631.db2.gz	SEUBVGUZBISJIT-SLFFLAALSA-N	1	0	352.482	1.900	20	30		FDEDRO
COC(=O)[C@@H]1CN(C(=O)NCc2ccc(C#N)c(Cl)c2)CC[N@H+](C)C1	ZINC000591193181	551850394	/nfs/dbraw/zinc/85/03/94/551850394.db2.gz	DKLFVOYBPJBJEX-AWEZNQCLSA-N	1	0	364.833	1.458	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1	ZINC000591304482	551859455	/nfs/dbraw/zinc/85/94/55/551859455.db2.gz	GQZUXSAUARFCAL-GOEBONIOSA-N	1	0	356.426	1.494	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1	ZINC000591308450	551860080	/nfs/dbraw/zinc/86/00/80/551860080.db2.gz	SMHAWVYNUKAUGY-KBPBESRZSA-N	1	0	358.417	1.874	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(F)c1	ZINC000591308469	551860294	/nfs/dbraw/zinc/86/02/94/551860294.db2.gz	VHOHSHMQGZCDGN-LSDHHAIUSA-N	1	0	358.417	1.874	20	30		FDEDRO
N#Cc1cccc(CCNC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)c1	ZINC000591310881	551860573	/nfs/dbraw/zinc/86/05/73/551860573.db2.gz	KKWHHVUAGYMMQP-UHFFFAOYSA-N	1	0	351.414	1.122	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)nc1	ZINC000591350584	551864980	/nfs/dbraw/zinc/86/49/80/551864980.db2.gz	RQOZSEMWFMTPHF-CALCHBBNSA-N	1	0	354.458	1.458	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)NCCC[C@@H]3CCC[NH2+]3)CC2)nc1	ZINC000591350606	551865054	/nfs/dbraw/zinc/86/50/54/551865054.db2.gz	WSXGMQCBNKAXSI-INIZCTEOSA-N	1	0	356.474	1.753	20	30		FDEDRO
C[C@@H](NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])c1cccc(C#N)c1	ZINC000591353619	551865137	/nfs/dbraw/zinc/86/51/37/551865137.db2.gz	GEPMKRARONNQLY-PBHICJAKSA-N	1	0	357.458	1.648	20	30		FDEDRO
CC[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC[C@H]1[NH3+]	ZINC000591357150	551865687	/nfs/dbraw/zinc/86/56/87/551865687.db2.gz	VYTOIUCNWWSMBW-KZNAEPCWSA-N	1	0	369.469	1.428	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@H]3CCCC[NH2+]3)C2=O)cc1	ZINC000591357119	551865697	/nfs/dbraw/zinc/86/56/97/551865697.db2.gz	MBVUHVXGFFHDMN-IAGOWNOFSA-N	1	0	355.442	1.100	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1	ZINC000591359678	551865909	/nfs/dbraw/zinc/86/59/09/551865909.db2.gz	JJKZOWXSEAPGQY-GJZGRUSLSA-N	1	0	372.473	1.773	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CCN(C(=O)NCc3ccc4c(c3)C[NH2+]C4)C2)nc1	ZINC000591360257	551866107	/nfs/dbraw/zinc/86/61/07/551866107.db2.gz	FXBHPHGZAXAPOF-SFHVURJKSA-N	1	0	363.421	1.919	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1cccc(C#N)c1	ZINC000591404251	551868261	/nfs/dbraw/zinc/86/82/61/551868261.db2.gz	JHOVCPHKBULMCX-RDTXWAMCSA-N	1	0	354.454	1.726	20	30		FDEDRO
C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)CC#N)C1	ZINC000591558880	551878877	/nfs/dbraw/zinc/87/88/77/551878877.db2.gz	HTYCWZTUQDROFU-QGZVFWFLSA-N	1	0	356.470	1.775	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1	ZINC000591574883	551880667	/nfs/dbraw/zinc/88/06/67/551880667.db2.gz	FXINRUWCBVONST-ROUUACIJSA-N	1	0	356.470	1.883	20	30		FDEDRO
CCOC(=O)C1CCC([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1	ZINC000591727855	551903763	/nfs/dbraw/zinc/90/37/63/551903763.db2.gz	YAHSUYRJIRDQOJ-UHFFFAOYSA-N	1	0	365.455	1.438	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H]2OCCc3ccccc32)nc1	ZINC000591739749	551905002	/nfs/dbraw/zinc/90/50/02/551905002.db2.gz	YSUIDBKYTQMUJA-QGZVFWFLSA-N	1	0	357.435	1.631	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1	ZINC000591767140	551907283	/nfs/dbraw/zinc/90/72/83/551907283.db2.gz	IUKDOKWFVKQMCO-ZIAGYGMSSA-N	1	0	364.412	1.116	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]Cc2cccc(N3CCOCC3)c2)cc1	ZINC000591768622	551907320	/nfs/dbraw/zinc/90/73/20/551907320.db2.gz	AZZXOBBCYBEHNP-FQEVSTJZSA-N	1	0	367.449	1.924	20	30		FDEDRO
CS(=O)(=O)c1cccc(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c1	ZINC000591770555	551907646	/nfs/dbraw/zinc/90/76/46/551907646.db2.gz	IUVVKTNAYDKBDY-MRXNPFEDSA-N	1	0	360.435	1.491	20	30		FDEDRO
CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)Cc2ccc(CC#N)cc2)CC1	ZINC000592031041	551929270	/nfs/dbraw/zinc/92/92/70/551929270.db2.gz	SEVPHWVIQUTCLQ-SFHVURJKSA-N	1	0	365.499	1.265	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1ccc(C#N)c(F)c1)CCO2	ZINC000592105188	551942636	/nfs/dbraw/zinc/94/26/36/551942636.db2.gz	ZVXODOSYTRGQCK-UHFFFAOYSA-N	1	0	353.419	1.183	20	30		FDEDRO
C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@](O)(CC#N)C1	ZINC000592150658	551950603	/nfs/dbraw/zinc/95/06/03/551950603.db2.gz	FXSYFMGHJXMLEZ-YVWKXTFCSA-N	1	0	356.470	1.116	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN([C@@H]1CCN(c3sccc3C#N)C1=O)CCO2	ZINC000592185558	551955596	/nfs/dbraw/zinc/95/55/96/551955596.db2.gz	YOSNUPOYWHMXTN-OAHLLOKOSA-N	1	0	360.483	1.522	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C(C)C)N2CCOCC2)CC1	ZINC000592294015	551973828	/nfs/dbraw/zinc/97/38/28/551973828.db2.gz	RKXVHDLDDWLKDD-SFHVURJKSA-N	1	0	352.523	1.683	20	30		FDEDRO
N#CC[C@]1(O)CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1	ZINC000592304410	551976136	/nfs/dbraw/zinc/97/61/36/551976136.db2.gz	LJIYNGQAGBNIJD-FQEVSTJZSA-N	1	0	370.453	1.488	20	30		FDEDRO
CC(C)[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC[NH2+]1	ZINC000592379544	551986058	/nfs/dbraw/zinc/98/60/58/551986058.db2.gz	LRMNRBCHNWFAIZ-CQSZACIVSA-N	1	0	372.288	1.939	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N[C@H]1CC12CC[NH2+]CC2	ZINC000592389986	551988154	/nfs/dbraw/zinc/98/81/54/551988154.db2.gz	GAPGHYNDCKDLHP-ZDUSSCGKSA-N	1	0	370.272	1.741	20	30		FDEDRO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C	ZINC000592882398	552038678	/nfs/dbraw/zinc/03/86/78/552038678.db2.gz	XGLZLQJLMGGTLD-MAUKXSAKSA-N	1	0	372.469	1.540	20	30		FDEDRO
COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)[C@@H]([NH3+])CCCC#N	ZINC000592957594	552048621	/nfs/dbraw/zinc/04/86/21/552048621.db2.gz	PQFRFXFLENDSCR-HNNXBMFYSA-N	1	0	373.457	1.042	20	30		FDEDRO
C[C@@H](CCO)[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000593109224	552063333	/nfs/dbraw/zinc/06/33/33/552063333.db2.gz	XFRARCBBHYZNNV-GJZGRUSLSA-N	1	0	350.488	1.160	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2Cc3cccc(C#N)c3C2)C1	ZINC000593126008	552065179	/nfs/dbraw/zinc/06/51/79/552065179.db2.gz	PFONDNYXBAOOJW-GOSISDBHSA-N	1	0	356.470	1.347	20	30		FDEDRO
COCc1nc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)no1	ZINC000593247951	552076876	/nfs/dbraw/zinc/07/68/76/552076876.db2.gz	DZKXKTNXVHNQQT-UHFFFAOYSA-N	1	0	355.398	1.482	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NCCNC(=O)C3CC3)CC2)c1	ZINC000593296060	552085251	/nfs/dbraw/zinc/08/52/51/552085251.db2.gz	QONBEVLFTPOTCZ-UHFFFAOYSA-N	1	0	369.469	1.348	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)CCN3C(=O)CCC3=O)CC2)c1	ZINC000593353185	552094809	/nfs/dbraw/zinc/09/48/09/552094809.db2.gz	PDGKXOSMABPZKY-UHFFFAOYSA-N	1	0	368.437	1.178	20	30		FDEDRO
COC[C@@](C)(O)CCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593408483	552104332	/nfs/dbraw/zinc/10/43/32/552104332.db2.gz	FDKHIWOUOGHQAU-FQEVSTJZSA-N	1	0	374.485	1.609	20	30		FDEDRO
C[C@H](CNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1)N1CC[NH+](C)CC1	ZINC000593558944	552133643	/nfs/dbraw/zinc/13/36/43/552133643.db2.gz	WTWHAVXALBHEHL-OAHLLOKOSA-N	1	0	364.515	1.402	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1C#N	ZINC000593732505	552186031	/nfs/dbraw/zinc/18/60/31/552186031.db2.gz	OPMPPFOIMLMMNB-USXIJHARSA-N	1	0	363.483	1.916	20	30		FDEDRO
N#Cc1ccsc1NC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000593766813	552194224	/nfs/dbraw/zinc/19/42/24/552194224.db2.gz	JYAIBEAEZOLNTC-MELADBBJSA-N	1	0	362.455	1.303	20	30		FDEDRO
Cc1ncc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c(N)n1	ZINC000593899586	552221142	/nfs/dbraw/zinc/22/11/42/552221142.db2.gz	CXBXQSSUFKSCSG-UHFFFAOYSA-N	1	0	350.426	1.633	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+]	ZINC000593904929	552222470	/nfs/dbraw/zinc/22/24/70/552222470.db2.gz	HWASOQDBXHQMTM-ZBFHGGJFSA-N	1	0	358.442	1.172	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+]	ZINC000593904926	552222672	/nfs/dbraw/zinc/22/26/72/552222672.db2.gz	HWASOQDBXHQMTM-GDBMZVCRSA-N	1	0	358.442	1.172	20	30		FDEDRO
C=CCCCNC(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593929676	552228379	/nfs/dbraw/zinc/22/83/79/552228379.db2.gz	DSJDUXXEIOKQCC-UHFFFAOYSA-N	1	0	354.454	1.721	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC1(c2ccc(C#N)cc2)CCC1	ZINC000594221973	552266779	/nfs/dbraw/zinc/26/67/79/552266779.db2.gz	VGVLXUDBZCOXJD-INIZCTEOSA-N	1	0	355.486	1.873	20	30		FDEDRO
C[NH+](C)CCn1ccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)n1	ZINC000594293159	552280306	/nfs/dbraw/zinc/28/03/06/552280306.db2.gz	FPMWMOPCPZNLMK-GOSISDBHSA-N	1	0	366.469	1.295	20	30		FDEDRO
CC(C)C[C@H](NC(=O)[C@H](C)Cc1ccc(C#N)cc1)C(=O)NCC[NH+](C)C	ZINC000594333092	552290521	/nfs/dbraw/zinc/29/05/21/552290521.db2.gz	SEACHLKLIWABRL-APWZRJJASA-N	1	0	372.513	1.946	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000594424293	552308038	/nfs/dbraw/zinc/30/80/38/552308038.db2.gz	AEIJMTISIQPQMU-MRXNPFEDSA-N	1	0	364.471	1.821	20	30		FDEDRO
C[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000594427517	552308640	/nfs/dbraw/zinc/30/86/40/552308640.db2.gz	INPCGVGNHCFDRW-CZUORRHYSA-N	1	0	366.487	1.525	20	30		FDEDRO
Cc1ccc(OCC(=O)N2CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC2)cc1	ZINC000594437551	552309910	/nfs/dbraw/zinc/30/99/10/552309910.db2.gz	MAWLKNNXHJSBGT-GOSISDBHSA-N	1	0	372.469	1.456	20	30		FDEDRO
COc1cccc(OCCN2CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC2)c1	ZINC000594444647	552311723	/nfs/dbraw/zinc/31/17/23/552311723.db2.gz	BAWUSBJUMKNSIP-IBGZPJMESA-N	1	0	374.485	1.629	20	30		FDEDRO
CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1	ZINC000594505790	552326545	/nfs/dbraw/zinc/32/65/45/552326545.db2.gz	AQNIWKCBYGCOKX-QGZVFWFLSA-N	1	0	364.515	1.848	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1	ZINC000594534036	552330119	/nfs/dbraw/zinc/33/01/19/552330119.db2.gz	ZMITYDDVQUHZLO-HDICACEKSA-N	1	0	356.470	1.753	20	30		FDEDRO
COC(=O)c1ccc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)c(C#N)n1	ZINC000594569875	552334559	/nfs/dbraw/zinc/33/45/59/552334559.db2.gz	IMWBCDVVQDPKFM-UHFFFAOYSA-N	1	0	371.485	1.735	20	30		FDEDRO
N#Cc1ccc(CC[NH2+]C[C@H](O)Cn2c(=O)onc2-c2ccccc2)cc1	ZINC000594717961	552363047	/nfs/dbraw/zinc/36/30/47/552363047.db2.gz	IXCMZFXFBSDSKS-SFHVURJKSA-N	1	0	364.405	1.568	20	30		FDEDRO
C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000594803102	552390840	/nfs/dbraw/zinc/39/08/40/552390840.db2.gz	IZGYESPKEOHKBI-ZDUSSCGKSA-N	1	0	372.922	1.762	20	30		FDEDRO
N#Cc1cccc(C[NH2+]C[C@]2(CO)COCCN2Cc2ccccc2)c1	ZINC000594988675	552432680	/nfs/dbraw/zinc/43/26/80/552432680.db2.gz	AWCOBBYGOPDQMF-NRFANRHFSA-N	1	0	351.450	1.911	20	30		FDEDRO
CCN(C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H]1CC[N@H+](C)C1	ZINC000595101994	552451136	/nfs/dbraw/zinc/45/11/36/552451136.db2.gz	HCZYQKLDBCFQMT-LBPRGKRZSA-N	1	0	366.368	1.651	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1	ZINC000595180242	552480434	/nfs/dbraw/zinc/48/04/34/552480434.db2.gz	YYKBTFSAALQSCI-WBVHZDCISA-N	1	0	365.543	1.887	20	30		FDEDRO
C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)N3CC[C@@](C)(C#N)C3)cccc21	ZINC000595212527	552492544	/nfs/dbraw/zinc/49/25/44/552492544.db2.gz	LINSEWMQIHWLBO-KXBFYZLASA-N	1	0	356.426	1.772	20	30		FDEDRO
Cc1cc(NC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)nn1CCC#N	ZINC000595235846	552501013	/nfs/dbraw/zinc/50/10/13/552501013.db2.gz	WKKBPNZSWNKDOE-INIZCTEOSA-N	1	0	354.414	2.410	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CCO1	ZINC000595237198	552501657	/nfs/dbraw/zinc/50/16/57/552501657.db2.gz	VKODUPULCVEAAR-OAHLLOKOSA-N	1	0	362.405	1.205	20	30		FDEDRO
CCCc1c(NC(=O)C(=O)N[C@H](C)C[NH2+]C)cnn1-c1cccc(C#N)c1	ZINC000595245065	552504103	/nfs/dbraw/zinc/50/41/03/552504103.db2.gz	OWNZEBVOQFNCNZ-CYBMUJFWSA-N	1	0	368.441	1.359	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC2CC1(C[NH3+])C2	ZINC000595253447	552505712	/nfs/dbraw/zinc/50/57/12/552505712.db2.gz	VZEJKLSNIGLKMO-WHENESEISA-N	1	0	358.467	1.827	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1	ZINC000595283492	552511945	/nfs/dbraw/zinc/51/19/45/552511945.db2.gz	JDQGJULOOFSTFB-HOTGVXAUSA-N	1	0	369.531	1.157	20	30		FDEDRO
CC(C)(C)C(=O)N1CCC[C@@H](CN(CCC#N)CCN2CCOCC2)C1	ZINC000595331594	552527569	/nfs/dbraw/zinc/52/75/69/552527569.db2.gz	AUOORGSQGOTBNC-SFHVURJKSA-N	1	0	364.534	1.819	20	30		FDEDRO
C[C@@H]1C[NH+](CCN2CCN(c3oc(C4CC4)nc3C#N)CC2)C[C@@H](C)O1	ZINC000595355668	552534976	/nfs/dbraw/zinc/53/49/76/552534976.db2.gz	DUVXVNYIMNJIMV-HUUCEWRRSA-N	1	0	359.474	1.655	20	30		FDEDRO
N#CCc1ccc(CS(=O)(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1	ZINC000595383690	552543454	/nfs/dbraw/zinc/54/34/54/552543454.db2.gz	CFNSAEAODQKPLP-GOSISDBHSA-N	1	0	363.483	1.113	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)Cc2ccc(CC#N)cc2)CCO1	ZINC000595405339	552551937	/nfs/dbraw/zinc/55/19/37/552551937.db2.gz	WBMSRFJBBAAIMO-GOSISDBHSA-N	1	0	365.499	1.625	20	30		FDEDRO
CC(C)C[NH2+]C1(CO)CCN(CC(=O)Nc2sccc2C#N)CC1	ZINC000595512973	552575931	/nfs/dbraw/zinc/57/59/31/552575931.db2.gz	ZXNCIRXCELVHOW-UHFFFAOYSA-N	1	0	350.488	1.631	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2[C@H](C)CO)CC1	ZINC000595673029	552601161	/nfs/dbraw/zinc/60/11/61/552601161.db2.gz	JGKYCFIAOZNXTC-KURKYZTESA-N	1	0	350.507	1.162	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1	ZINC000595694389	552603567	/nfs/dbraw/zinc/60/35/67/552603567.db2.gz	XMPJOYUYSYSFNN-CABCVRRESA-N	1	0	371.489	1.441	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1	ZINC000595694391	552603660	/nfs/dbraw/zinc/60/36/60/552603660.db2.gz	XMPJOYUYSYSFNN-HUUCEWRRSA-N	1	0	371.489	1.441	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@H]4NC(=O)CC[C@@H]4C3)C2=O)cc1	ZINC000595728137	552607380	/nfs/dbraw/zinc/60/73/80/552607380.db2.gz	JWAMALKEVAGSCI-NXHRZFHOSA-N	1	0	352.438	1.654	20	30		FDEDRO
C[N@H+](CCc1ccccc1)[C@@H]1CCN(CC(=O)N(CCC#N)CCC#N)C1	ZINC000595747362	552610449	/nfs/dbraw/zinc/61/04/49/552610449.db2.gz	CJVUWIGATXYJOU-HXUWFJFHSA-N	1	0	367.497	1.891	20	30		FDEDRO
C[C@H](O)[C@H]1CCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000595766521	552612830	/nfs/dbraw/zinc/61/28/30/552612830.db2.gz	OMZANFDWTIHRMN-XHSDSOJGSA-N	1	0	362.499	1.302	20	30		FDEDRO
Cn1cc(C[C@H]2CCC[C@H]2[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cn1	ZINC000595769717	552613134	/nfs/dbraw/zinc/61/31/34/552613134.db2.gz	KRICAOBZKXCIDX-IAGOWNOFSA-N	1	0	373.482	1.461	20	30		FDEDRO
Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]CC(=O)NCc2cccc(C#N)c2)cn1	ZINC000595768709	552613306	/nfs/dbraw/zinc/61/33/06/552613306.db2.gz	GMMGMJSWLOGLSR-MOPGFXCFSA-N	1	0	351.454	1.909	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H]1C[C@@H](O)C12CCC2	ZINC000595776316	552614075	/nfs/dbraw/zinc/61/40/75/552614075.db2.gz	AMHZDKQNPGNSFQ-DLBZAZTESA-N	1	0	374.485	1.845	20	30		FDEDRO
C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000595785309	552614947	/nfs/dbraw/zinc/61/49/47/552614947.db2.gz	IFYZWYAXFZKZCQ-KRWDZBQOSA-N	1	0	370.501	1.905	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C1	ZINC000595808051	552618543	/nfs/dbraw/zinc/61/85/43/552618543.db2.gz	RTHHIPSTHUAQKY-CABCVRRESA-N	1	0	357.462	1.053	20	30		FDEDRO
CC(C)NC(=O)[C@H]1CCCN([C@@H]2CCN(c3sccc3C#N)C2=O)C1	ZINC000595851973	552623520	/nfs/dbraw/zinc/62/35/20/552623520.db2.gz	WHOIZTQEISDDJA-LSDHHAIUSA-N	1	0	360.483	1.962	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC000595863203	552625315	/nfs/dbraw/zinc/62/53/15/552625315.db2.gz	KZLJRZXTLWZKCZ-XLIONFOSSA-N	1	0	370.497	1.853	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CCN(C(=O)[C@H]4CCC[C@H]4[NH3+])CC3)n[nH]2)cc1	ZINC000595966525	552639625	/nfs/dbraw/zinc/63/96/25/552639625.db2.gz	IZUANODLNGMBLQ-DLBZAZTESA-N	1	0	364.453	1.724	20	30		FDEDRO
CC(C)(C[NH3+])C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595970141	552640222	/nfs/dbraw/zinc/64/02/22/552640222.db2.gz	KKTFRQGRXAPWEG-UHFFFAOYSA-N	1	0	352.442	1.582	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CCN(C(=O)C4([NH3+])CCC4)CC3)n[nH]2)cc1	ZINC000595972170	552640411	/nfs/dbraw/zinc/64/04/11/552640411.db2.gz	UZERKMVRUFPIKN-UHFFFAOYSA-N	1	0	350.426	1.478	20	30		FDEDRO
Cn1ncc(C#N)c1NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000596123015	552657426	/nfs/dbraw/zinc/65/74/26/552657426.db2.gz	RJTRHULEIJHFGZ-MRXNPFEDSA-N	1	0	352.442	1.601	20	30		FDEDRO
CCN(C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CC[N@H+](C)C1	ZINC000596551008	552688380	/nfs/dbraw/zinc/68/83/80/552688380.db2.gz	JUFIZVPNSBRMNH-QZTJIDSGSA-N	1	0	369.469	1.789	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c2ncnn21	ZINC000596687938	552701649	/nfs/dbraw/zinc/70/16/49/552701649.db2.gz	GBUAFCHXLDKENC-PBHICJAKSA-N	1	0	367.457	1.929	20	30		FDEDRO
C[C@H]1CN(CCNC(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@@H](C)CO1	ZINC000596840575	552716645	/nfs/dbraw/zinc/71/66/45/552716645.db2.gz	SXMVJMZXYSOIOE-KBPBESRZSA-N	1	0	369.429	1.370	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@@H](CS(C)(=O)=O)c1ccccc1	ZINC000596926886	552725054	/nfs/dbraw/zinc/72/50/54/552725054.db2.gz	VGRRFYZKERXPGP-KRWDZBQOSA-N	1	0	365.499	1.509	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)c2cc(F)c(C#N)c(F)c2)CC1	ZINC000596948721	552727725	/nfs/dbraw/zinc/72/77/25/552727725.db2.gz	KXZITALPSKGAPI-UHFFFAOYSA-N	1	0	371.391	1.913	20	30		FDEDRO
C[NH+](C)CCn1c2cc(NC(=O)CC3(C#N)CCOCC3)ccc2oc1=O	ZINC000596994279	552732318	/nfs/dbraw/zinc/73/23/18/552732318.db2.gz	CKDPUFWEQBOZPJ-UHFFFAOYSA-N	1	0	372.425	1.805	20	30		FDEDRO
Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1Cc2ccc(C#N)cc2C1	ZINC000597274156	552768401	/nfs/dbraw/zinc/76/84/01/552768401.db2.gz	UGESGFADBBAPMO-SJORKVTESA-N	1	0	350.426	1.743	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@](F)(C#N)C1	ZINC000597309922	552773186	/nfs/dbraw/zinc/77/31/86/552773186.db2.gz	LXXXXNGDAGBSMY-VKJFTORMSA-N	1	0	360.437	1.832	20	30		FDEDRO
C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)CC3(C#N)CCOCC3)nc2)C1	ZINC000597418160	552786904	/nfs/dbraw/zinc/78/69/04/552786904.db2.gz	FQLXUKLQRZGHCA-MRXNPFEDSA-N	1	0	357.458	1.871	20	30		FDEDRO
C[C@H]1COCC[N@@H+]1C1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1	ZINC000597676964	552820550	/nfs/dbraw/zinc/82/05/50/552820550.db2.gz	DVIQAXMNQHOJJQ-QFBILLFUSA-N	1	0	366.465	1.952	20	30		FDEDRO
Cc1[nH]c(C#N)cc1C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000597691471	552822457	/nfs/dbraw/zinc/82/24/57/552822457.db2.gz	CXORNVPCMJZYIA-WBVHZDCISA-N	1	0	359.474	1.502	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCc2ccc(C#N)cc2)CC1=O	ZINC000597892584	552844547	/nfs/dbraw/zinc/84/45/47/552844547.db2.gz	WZFBROMECLWIEJ-MOPGFXCFSA-N	1	0	368.481	1.550	20	30		FDEDRO
CCN(C(=O)CCc1c(C)nc2c(C#N)cnn2c1C)[C@@H]1CC[N@H+](C)C1	ZINC000597945014	552849016	/nfs/dbraw/zinc/84/90/16/552849016.db2.gz	GLJJAHWIGVYWTD-MRXNPFEDSA-N	1	0	354.458	1.703	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[NH+]1CCN(C[C@@H](O)COc2ccccc2)CC1	ZINC000598588246	552912001	/nfs/dbraw/zinc/91/20/01/552912001.db2.gz	JKZLFLUMDMMEKH-QZTJIDSGSA-N	1	0	361.486	1.345	20	30		FDEDRO
CC(C)[C@@H](C(=O)NC1(C#N)CC[NH+](C)CC1)N1Cc2ccccc2C1=O	ZINC000598668827	552922777	/nfs/dbraw/zinc/92/27/77/552922777.db2.gz	DIYHAJMLCBVDMH-KRWDZBQOSA-N	1	0	354.454	1.771	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@]1(CO)COCCN1Cc1ccccc1	ZINC000598729012	552928526	/nfs/dbraw/zinc/92/85/26/552928526.db2.gz	GZIBNVOVZAAHGM-AZUAARDMSA-N	1	0	361.486	1.140	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)N2CCc3c(CC#N)cccc3C2)CC1(C)C	ZINC000599050350	552962660	/nfs/dbraw/zinc/96/26/60/552962660.db2.gz	LJLZHTDQRAQEPL-UHFFFAOYSA-N	1	0	369.513	1.846	20	30		FDEDRO
CC(C)(CCC#N)CNC(=O)NC[C@H]1CN(Cc2ccncc2)CCO1	ZINC000599058509	552963148	/nfs/dbraw/zinc/96/31/48/552963148.db2.gz	HPPOJROBMGOGML-KRWDZBQOSA-N	1	0	359.474	1.912	20	30		FDEDRO
COc1ccccc1N1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1	ZINC000599256241	553004585	/nfs/dbraw/zinc/00/45/85/553004585.db2.gz	XWZPNOUBBAYXNB-KRWDZBQOSA-N	1	0	359.470	1.889	20	30		FDEDRO
COc1ccnc(N2CC[NH+](C[C@@H](O)CC3(C#N)CCOCC3)CC2)c1	ZINC000599285249	553014884	/nfs/dbraw/zinc/01/48/84/553014884.db2.gz	NJLQUGBVCMNFBQ-INIZCTEOSA-N	1	0	360.458	1.284	20	30		FDEDRO
CCO[C@@H]1C[C@H](O)C12CC[NH+](C[C@H](O)CC1(C#N)CCOCC1)CC2	ZINC000599300416	553020132	/nfs/dbraw/zinc/02/01/32/553020132.db2.gz	YAIQNIVLEUNIOL-IXDOHACOSA-N	1	0	352.475	1.310	20	30		FDEDRO
CCCNC(=O)C1([NH2+]C[C@H](O)CC2(C#N)CCOCC2)CCCCC1	ZINC000599329798	553029020	/nfs/dbraw/zinc/02/90/20/553029020.db2.gz	CWTIATFGDWWZGA-MRXNPFEDSA-N	1	0	351.491	1.876	20	30		FDEDRO
COC(=O)C[C@@](C)([NH2+]C[C@H](O)COc1ccccc1C#N)c1ccncc1	ZINC000599417468	553052467	/nfs/dbraw/zinc/05/24/67/553052467.db2.gz	MUXXMAASSJEXIZ-FXAWDEMLSA-N	1	0	369.421	1.761	20	30		FDEDRO
C[C@@H]1CN(CC(F)(F)F)CC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000599434437	553055992	/nfs/dbraw/zinc/05/59/92/553055992.db2.gz	AEFQPINTRXGGJJ-GJZGRUSLSA-N	1	0	363.424	1.874	20	30		FDEDRO
CC(C)OCCOC1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1	ZINC000599435730	553056157	/nfs/dbraw/zinc/05/61/57/553056157.db2.gz	ZZTRABHFGVVOFS-KRWDZBQOSA-N	1	0	354.491	1.964	20	30		FDEDRO
COCC[N@@H+](Cc1c(C)nn(C)c1C)C[C@H](O)COc1ccccc1C#N	ZINC000599437600	553056584	/nfs/dbraw/zinc/05/65/84/553056584.db2.gz	PPYAMQYLDRNOPG-SFHVURJKSA-N	1	0	372.469	1.797	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)CCOCC1	ZINC000599440155	553057030	/nfs/dbraw/zinc/05/70/30/553057030.db2.gz	LYVMZALKYISENW-MSOLQXFVSA-N	1	0	366.502	1.605	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1	ZINC000599606910	553101865	/nfs/dbraw/zinc/10/18/65/553101865.db2.gz	QETWCMQURPUFBM-YRGRVCCFSA-N	1	0	350.444	1.634	20	30		FDEDRO
Cc1cc(=NC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)[nH]n1CCC#N	ZINC000599613947	553103562	/nfs/dbraw/zinc/10/35/62/553103562.db2.gz	RRBIZSNBEBLLBW-VXGBXAGGSA-N	1	0	358.368	2.096	20	30		FDEDRO
N#Cc1ccc(Oc2ccc(NC(=O)NCC[N@H+]3CC[C@@H](O)C3)cn2)cc1	ZINC000599719748	553129785	/nfs/dbraw/zinc/12/97/85/553129785.db2.gz	VBCYPHIBGMOITP-MRXNPFEDSA-N	1	0	367.409	1.934	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc(OC)c(C#N)cc1F	ZINC000599816883	553154878	/nfs/dbraw/zinc/15/48/78/553154878.db2.gz	JYXNDGPETXCTMK-CYBMUJFWSA-N	1	0	350.394	1.938	20	30		FDEDRO
C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C[NH2+]1	ZINC000599896667	553170270	/nfs/dbraw/zinc/17/02/70/553170270.db2.gz	QMCFTEZNGGAWBD-KOLCDFICSA-N	1	0	352.341	1.355	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1	ZINC000599900012	553170929	/nfs/dbraw/zinc/17/09/29/553170929.db2.gz	PBMUBTMSGPXAJV-OCCSQVGLSA-N	1	0	368.359	1.791	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1F	ZINC000599899267	553170975	/nfs/dbraw/zinc/17/09/75/553170975.db2.gz	LAJAMIQEOUSGFA-JQWIXIFHSA-N	1	0	372.322	1.622	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1	ZINC000599900966	553171260	/nfs/dbraw/zinc/17/12/60/553171260.db2.gz	VFUPNGQIVUEYLG-YPMHNXCESA-N	1	0	354.332	1.482	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)cc1C#N	ZINC000599938918	553178743	/nfs/dbraw/zinc/17/87/43/553178743.db2.gz	JZMDBIGTSAAFGR-OLZOCXBDSA-N	1	0	360.389	1.387	20	30		FDEDRO
COc1cc(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c(F)cc1C#N	ZINC000599957138	553185202	/nfs/dbraw/zinc/18/52/02/553185202.db2.gz	UZYGAAJOANPWMC-UHFFFAOYSA-N	1	0	374.376	1.041	20	30		FDEDRO
C[C@H]1CC[C@H](NC(=O)C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C[NH2+]1	ZINC000599961383	553186643	/nfs/dbraw/zinc/18/66/43/553186643.db2.gz	BNRDSRLVERASPE-HOCLYGCPSA-N	1	0	370.453	1.185	20	30		FDEDRO
CC(=O)NCC(=O)N1CCC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)CC1	ZINC000600201293	553230194	/nfs/dbraw/zinc/23/01/94/553230194.db2.gz	GFSQARVMBVOTID-UHFFFAOYSA-N	1	0	354.454	1.412	20	30		FDEDRO
C[NH+](C)C[C@H](NC(=O)Cn1cnc(C#N)n1)c1ccc(Cl)c(Cl)c1	ZINC000600471989	553273314	/nfs/dbraw/zinc/27/33/14/553273314.db2.gz	MEMRCVUZYGVGDV-ZDUSSCGKSA-N	1	0	367.240	1.876	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N(C)[C@@H]3C[NH+]4CCC3CC4)cc2C1=O	ZINC000600518205	553280154	/nfs/dbraw/zinc/28/01/54/553280154.db2.gz	AVQVZTLVWQMEER-QGZVFWFLSA-N	1	0	353.422	1.635	20	30		FDEDRO
CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]C[C@@H](O)CC1(C#N)CC1	ZINC000600716886	553306191	/nfs/dbraw/zinc/30/61/91/553306191.db2.gz	HWXXBQFJSYHZAQ-KRWDZBQOSA-N	1	0	365.499	1.659	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)CC1	ZINC000600719428	553306823	/nfs/dbraw/zinc/30/68/23/553306823.db2.gz	DRBJSPHLCCFOSZ-ROUUACIJSA-N	1	0	357.454	1.740	20	30		FDEDRO
COc1cccc(N2CC[C@@H]([NH2+]C[C@H](O)CC3(C#N)CCOCC3)C2)c1	ZINC000600722000	553307068	/nfs/dbraw/zinc/30/70/68/553307068.db2.gz	OOFGRFUDHRXQPK-SJLPKXTDSA-N	1	0	359.470	1.935	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]Cc2ccccc2OCCN2CCOCC2)CC1	ZINC000600721036	553307139	/nfs/dbraw/zinc/30/71/39/553307139.db2.gz	KCNBVBJIKDDQGT-GOSISDBHSA-N	1	0	359.470	1.542	20	30		FDEDRO
CC(=O)Nc1cccc(OCC[NH2+]C[C@H](O)CC2(C#N)CCOCC2)c1	ZINC000600723535	553307497	/nfs/dbraw/zinc/30/74/97/553307497.db2.gz	VTPHZVJPEZARLH-QGZVFWFLSA-N	1	0	361.442	1.685	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)CC1	ZINC000600737534	553309135	/nfs/dbraw/zinc/30/91/35/553309135.db2.gz	VTZUFSJIWINYSY-ZDUSSCGKSA-N	1	0	371.890	1.653	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)CCOCC1	ZINC000600737706	553309229	/nfs/dbraw/zinc/30/92/29/553309229.db2.gz	IGSYYJQTQXSSEQ-WMZOPIPTSA-N	1	0	350.434	1.638	20	30		FDEDRO
CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]C[C@@H](O)CC2(C#N)CC2)s1	ZINC000600742436	553310025	/nfs/dbraw/zinc/31/00/25/553310025.db2.gz	WCXWDPRPJZTIPK-WOPDTQHZSA-N	1	0	351.476	1.708	20	30		FDEDRO
COc1ccc([C@@H](CO)C[NH2+]C[C@H](O)COc2ccccc2C#N)cc1	ZINC000600745533	553310264	/nfs/dbraw/zinc/31/02/64/553310264.db2.gz	ROOTUMJPELMFSP-MSOLQXFVSA-N	1	0	356.422	1.672	20	30		FDEDRO
COc1ccc([C@H](CO)C[NH2+]C[C@H](O)COc2ccccc2C#N)cc1	ZINC000600745549	553310431	/nfs/dbraw/zinc/31/04/31/553310431.db2.gz	ROOTUMJPELMFSP-ROUUACIJSA-N	1	0	356.422	1.672	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O	ZINC000600750471	553310917	/nfs/dbraw/zinc/31/09/17/553310917.db2.gz	WQBFKAGUNPOJDE-ZHALLVOQSA-N	1	0	360.454	1.455	20	30		FDEDRO
N#Cc1ccc(OCc2cccc(C(=O)NCC[N@H+]3CC[C@H](O)C3)c2)cc1	ZINC000600809448	553317323	/nfs/dbraw/zinc/31/73/23/553317323.db2.gz	YSGCTLJOBMYOQC-IBGZPJMESA-N	1	0	365.433	1.934	20	30		FDEDRO
N#Cc1ncc(C(F)(F)F)cc1-n1cc(CCN2CCC([NH3+])CC2)nn1	ZINC000600966989	553332106	/nfs/dbraw/zinc/33/21/06/553332106.db2.gz	ORHJHZMQCMRZPD-UHFFFAOYSA-N	1	0	365.363	1.518	20	30		FDEDRO
CCOCn1nc(C)c(C[C@@H](C)C(=O)NC2(C#N)CC[NH+](C)CC2)c1C	ZINC000601042958	553343140	/nfs/dbraw/zinc/34/31/40/553343140.db2.gz	OMUYQWSKBLZAJM-CQSZACIVSA-N	1	0	361.490	1.777	20	30		FDEDRO
Cc1cc(F)cc(C#N)c1S(=O)(=O)N(C)CCCN1CC[NH+](C)CC1	ZINC000601350502	553382481	/nfs/dbraw/zinc/38/24/81/553382481.db2.gz	WKGBRNDXUFJRBG-UHFFFAOYSA-N	1	0	368.478	1.264	20	30		FDEDRO
C[NH+](C)CCCS(=O)(=O)NC1(c2cccc(C#N)c2)CCOCC1	ZINC000601466265	553413859	/nfs/dbraw/zinc/41/38/59/553413859.db2.gz	YZNVWQFKTXTFIG-UHFFFAOYSA-N	1	0	351.472	1.435	20	30		FDEDRO
C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000601575498	553438478	/nfs/dbraw/zinc/43/84/78/553438478.db2.gz	QOPNURBNQMORCA-WPRPVWTQSA-N	1	0	351.204	1.207	20	30		FDEDRO
N#Cc1cccc(-c2csc(NC(=O)C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)n2)c1	ZINC000601576798	553438796	/nfs/dbraw/zinc/43/87/96/553438796.db2.gz	WLUINVSBVFRAQZ-OKILXGFUSA-N	1	0	367.434	1.583	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN(CCC#N)CC1	ZINC000601593649	553442139	/nfs/dbraw/zinc/44/21/39/553442139.db2.gz	DRHQVTUJCUMZLS-MJGOQNOKSA-N	1	0	355.486	1.748	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1	ZINC000601648950	553452926	/nfs/dbraw/zinc/45/29/26/553452926.db2.gz	VARGDFNNDAITRM-RTBURBONSA-N	1	0	356.470	1.490	20	30		FDEDRO
N#Cc1cc(F)cc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1	ZINC000602026370	553503341	/nfs/dbraw/zinc/50/33/41/553503341.db2.gz	HLZWCWRPRQSDIN-AWEZNQCLSA-N	1	0	358.417	1.970	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C1	ZINC000602053688	553508975	/nfs/dbraw/zinc/50/89/75/553508975.db2.gz	ZLCWBOKAZOURGA-OAHLLOKOSA-N	1	0	366.469	1.717	20	30		FDEDRO
CC(C)(C[NH+]1CCOCC1)C(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1	ZINC000602122088	553522531	/nfs/dbraw/zinc/52/25/31/553522531.db2.gz	NIMAHIAMXJDUMR-UHFFFAOYSA-N	1	0	367.453	1.923	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)C2=O)cc1	ZINC000602148477	553528593	/nfs/dbraw/zinc/52/85/93/553528593.db2.gz	WGBOAPHIIYRMPW-GOSISDBHSA-N	1	0	366.465	1.651	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(C(=O)N3CCN(CCC#N)CC3)cc2)CC1	ZINC000602208142	553540483	/nfs/dbraw/zinc/54/04/83/553540483.db2.gz	IXVOAASDUBMAJH-UHFFFAOYSA-N	1	0	355.486	1.500	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C2([S@@](C)=O)CC[NH2+]CC2)cc1	ZINC000602437886	553581324	/nfs/dbraw/zinc/58/13/24/553581324.db2.gz	FFFOJVKRMSQREH-RUZDIDTESA-N	1	0	364.471	1.433	20	30		FDEDRO
CNS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)CC2(C#N)CCOCC2)cc1	ZINC000602527905	553599336	/nfs/dbraw/zinc/59/93/36/553599336.db2.gz	NFHVUYUSOYAZJR-OAHLLOKOSA-N	1	0	365.499	1.924	20	30		FDEDRO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCS(=O)(=O)NCc1ccccc1	ZINC000602530011	553599900	/nfs/dbraw/zinc/59/99/00/553599900.db2.gz	SMUXUIVFUGGCRP-INIZCTEOSA-N	1	0	365.499	1.795	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)Cc1ccc(S(N)(=O)=O)cc1	ZINC000602659242	553619877	/nfs/dbraw/zinc/61/98/77/553619877.db2.gz	KMSMTAHPMOCJSS-UHFFFAOYSA-N	1	0	372.494	1.769	20	30		FDEDRO
C[C@](O)(C[C@@H](O)CN1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C1CC1	ZINC000602799114	553640870	/nfs/dbraw/zinc/64/08/70/553640870.db2.gz	BABBBJMYYJJHQN-AABGKKOBSA-N	1	0	361.461	1.920	20	30		FDEDRO
C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCN(C)C[C@H]1CO	ZINC000602904672	553665287	/nfs/dbraw/zinc/66/52/87/553665287.db2.gz	JNMWZUAJJDRBDM-GJZGRUSLSA-N	1	0	362.499	1.485	20	30		FDEDRO
C[C@]1(CO)C[C@H](O)CN1CC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000602908357	553666570	/nfs/dbraw/zinc/66/65/70/553666570.db2.gz	OKOZOUFORRJZJA-KPZWWZAWSA-N	1	0	363.483	1.645	20	30		FDEDRO
CSC1CC[NH+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1	ZINC000602922547	553670063	/nfs/dbraw/zinc/67/00/63/553670063.db2.gz	IHPXPSTWLWVGCM-UHFFFAOYSA-N	1	0	363.487	1.331	20	30		FDEDRO
COCc1ncc2c(n1)CC[N@@H+](CCC(=O)Nc1sccc1C#N)C2	ZINC000602928735	553671762	/nfs/dbraw/zinc/67/17/62/553671762.db2.gz	PYQSWOLHVSDCTH-UHFFFAOYSA-N	1	0	357.439	1.943	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)CN1CCC(c2cc(C(=O)OC)on2)CC1	ZINC000603000981	553689537	/nfs/dbraw/zinc/68/95/37/553689537.db2.gz	WDBKTABCEVGYIF-ZDUSSCGKSA-N	1	0	362.430	1.649	20	30		FDEDRO
C[C@H]([NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)C(=O)N(C)CCC#N	ZINC000603146853	553716102	/nfs/dbraw/zinc/71/61/02/553716102.db2.gz	URVXRMPHWIMSCK-AEGPPILISA-N	1	0	357.376	1.871	20	30		FDEDRO
CN(C(=O)Cn1cc(CC[NH+]2CCCCC2)nn1)C1(C#N)CCCCC1	ZINC000603182208	553724640	/nfs/dbraw/zinc/72/46/40/553724640.db2.gz	XUHMWOOQZKDXAU-UHFFFAOYSA-N	1	0	358.490	1.991	20	30		FDEDRO
COCC[NH2+]Cc1ccn(Cc2cn(Cc3ccc(F)c(C#N)c3)nn2)n1	ZINC000603201268	553731109	/nfs/dbraw/zinc/73/11/09/553731109.db2.gz	QZXUVGCDDYUZGX-UHFFFAOYSA-N	1	0	369.404	1.318	20	30		FDEDRO
COCC[NH2+]CCc1cn(Cc2ccc(C#N)cc2C(F)(F)F)nn1	ZINC000603250076	553742626	/nfs/dbraw/zinc/74/26/26/553742626.db2.gz	JLCHMDGSCZUDFI-UHFFFAOYSA-N	1	0	353.348	1.995	20	30		FDEDRO
COCCOCc1cc(C#N)ccc1N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000603308714	553761138	/nfs/dbraw/zinc/76/11/38/553761138.db2.gz	NNSMAQJYZMXCFH-SFHVURJKSA-N	1	0	359.470	1.880	20	30		FDEDRO
N#C[C@@]1(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC12CCCC2	ZINC000603410674	553782041	/nfs/dbraw/zinc/78/20/41/553782041.db2.gz	IYIHGPCVKQLMBD-FXAWDEMLSA-N	1	0	360.502	1.373	20	30		FDEDRO
N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000603424469	553785128	/nfs/dbraw/zinc/78/51/28/553785128.db2.gz	XNXATFAUZUHJNV-MRXNPFEDSA-N	1	0	359.430	1.675	20	30		FDEDRO
COCCNC(=O)C1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1	ZINC000603444917	553789839	/nfs/dbraw/zinc/78/98/39/553789839.db2.gz	IGCPLVXHRFIQOG-UHFFFAOYSA-N	1	0	364.471	1.423	20	30		FDEDRO
COC(=O)c1cn(CC(=O)NC2(C#N)CC[NH+](C)CC2)c2ccccc12	ZINC000603884964	553824242	/nfs/dbraw/zinc/82/42/42/553824242.db2.gz	GVSKRVKUXHBNRG-UHFFFAOYSA-N	1	0	354.410	1.532	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(C)CCCC[NH+](C)C)c1	ZINC000607034691	554114347	/nfs/dbraw/zinc/11/43/47/554114347.db2.gz	GMDSNLXHLGSLLX-UHFFFAOYSA-N	1	0	353.488	1.565	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1	ZINC000608426199	554268185	/nfs/dbraw/zinc/26/81/85/554268185.db2.gz	VZULAHWWEOEZGD-YOEHRIQHSA-N	1	0	374.489	1.254	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1	ZINC000609187981	554347349	/nfs/dbraw/zinc/34/73/49/554347349.db2.gz	XFHQMWLCIJFTSS-INIZCTEOSA-N	1	0	361.442	1.515	20	30		FDEDRO
Cc1c(C(=O)N(CC#N)C2CC2)nnn1-c1cccc2c1CC[N@@H+](C)C2	ZINC000609444691	554377509	/nfs/dbraw/zinc/37/75/09/554377509.db2.gz	BSNYXBRAFOBXJY-UHFFFAOYSA-N	1	0	350.426	1.692	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H]1CCCN1c1cccnn1)C(=O)Nc1ccccc1C#N	ZINC000609574743	554396139	/nfs/dbraw/zinc/39/61/39/554396139.db2.gz	HYCASFRHSMECDS-ZBFHGGJFSA-N	1	0	350.426	1.934	20	30		FDEDRO
CC[NH+]1CCN(CCNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC1	ZINC000609582955	554397029	/nfs/dbraw/zinc/39/70/29/554397029.db2.gz	DAPDAJAETFAJAQ-IBGZPJMESA-N	1	0	355.486	1.281	20	30		FDEDRO
C[C@@H](NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(C#N)cc1	ZINC000609685067	554411590	/nfs/dbraw/zinc/41/15/90/554411590.db2.gz	PYMAIDAHJOONMO-APWZRJJASA-N	1	0	371.485	1.325	20	30		FDEDRO
CN(c1ccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)cc1)S(C)(=O)=O	ZINC000609919096	554438130	/nfs/dbraw/zinc/43/81/30/554438130.db2.gz	DYGOYKLDJKMKAE-UHFFFAOYSA-N	1	0	369.450	1.892	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC[N@H+](C[C@@H]2CCCO2)CC1	ZINC000610002389	554448060	/nfs/dbraw/zinc/44/80/60/554448060.db2.gz	FURHMAIVDFPPSL-AOIWGVFYSA-N	1	0	350.507	1.616	20	30		FDEDRO
N#C[C@H]1CN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCN1Cc1ccccc1	ZINC000610027393	554450004	/nfs/dbraw/zinc/45/00/04/554450004.db2.gz	GCRUEDWNTLJRES-PMACEKPBSA-N	1	0	367.497	1.890	20	30		FDEDRO
C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000610345841	554494161	/nfs/dbraw/zinc/49/41/61/554494161.db2.gz	ABHNBOMNRIQOEW-STQMWFEESA-N	1	0	372.450	1.883	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1	ZINC000610353504	554495048	/nfs/dbraw/zinc/49/50/48/554495048.db2.gz	VJNNCJHFUDYCBQ-UHFFFAOYSA-N	1	0	351.410	1.864	20	30		FDEDRO
N#Cc1cccc(-c2nnc(CN3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)o2)c1	ZINC000610368640	554496334	/nfs/dbraw/zinc/49/63/34/554496334.db2.gz	LUHGHQHFWINJOF-SJORKVTESA-N	1	0	353.426	1.639	20	30		FDEDRO
C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(C#N)c1	ZINC000610401718	554500013	/nfs/dbraw/zinc/50/00/13/554500013.db2.gz	YVSAVKYXWMWQAL-YJBOKZPZSA-N	1	0	371.485	1.861	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(O[C@H]3CCOC3)CC2)cc1	ZINC000610497434	554519131	/nfs/dbraw/zinc/51/91/31/554519131.db2.gz	SJKFTLJEJUACRV-PXNSSMCTSA-N	1	0	360.454	1.762	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2COc3ccccc3O2)cc1	ZINC000610497363	554519154	/nfs/dbraw/zinc/51/91/54/554519154.db2.gz	ANKWHRWSVXSULN-OAHLLOKOSA-N	1	0	358.419	1.762	20	30		FDEDRO
CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000610722129	554554360	/nfs/dbraw/zinc/55/43/60/554554360.db2.gz	KGOXKKAMZBHIHU-HZPDHXFCSA-N	1	0	371.489	1.443	20	30		FDEDRO
N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCNS(=O)(=O)Cc1ccon1	ZINC000611393812	554630402	/nfs/dbraw/zinc/63/04/02/554630402.db2.gz	MMPQEIPSZWURLF-QGZVFWFLSA-N	1	0	360.439	1.633	20	30		FDEDRO
CNC(=O)[C@H](NC(=O)C[NH2+][C@@H](C)c1cccc(C#N)c1)c1ccccc1	ZINC000611388647	554630552	/nfs/dbraw/zinc/63/05/52/554630552.db2.gz	QWKHAIFHHOUMFC-IFXJQAMLSA-N	1	0	350.422	1.812	20	30		FDEDRO
Cc1nnc(CN2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)[nH]1	ZINC000611430892	554632886	/nfs/dbraw/zinc/63/28/86/554632886.db2.gz	FPKNNCOSGOEQRL-UHFFFAOYSA-N	1	0	353.430	1.131	20	30		FDEDRO
C[C@@H](CN1CCOCC1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000611505001	554638960	/nfs/dbraw/zinc/63/89/60/554638960.db2.gz	CXJRNPSAPODVMZ-SFHVURJKSA-N	1	0	370.497	1.629	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000611993020	554716198	/nfs/dbraw/zinc/71/61/98/554716198.db2.gz	UWLACAJBJORJQG-WBVHZDCISA-N	1	0	374.460	1.751	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1	ZINC000612231037	554752156	/nfs/dbraw/zinc/75/21/56/554752156.db2.gz	FZOGSNNIFPCHBV-UHFFFAOYSA-N	1	0	358.486	1.834	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)cc1	ZINC000612830370	554847064	/nfs/dbraw/zinc/84/70/64/554847064.db2.gz	NJJGSLBDLFTSSN-IAGOWNOFSA-N	1	0	358.442	1.028	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)n1	ZINC000612840376	554848727	/nfs/dbraw/zinc/84/87/27/554848727.db2.gz	SWGHMQRIKFZFCR-NVXWUHKLSA-N	1	0	354.458	1.412	20	30		FDEDRO
C[C@@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)C1CC[NH+](C)CC1	ZINC000613156950	554893663	/nfs/dbraw/zinc/89/36/63/554893663.db2.gz	QGQHISGVJUAGSO-CYBMUJFWSA-N	1	0	353.430	1.991	20	30		FDEDRO
CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000613246193	554903849	/nfs/dbraw/zinc/90/38/49/554903849.db2.gz	ZNFKFBIKACHNGI-ZWKOTPCHSA-N	1	0	350.507	1.472	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CCC1	ZINC000615000472	555147014	/nfs/dbraw/zinc/14/70/14/555147014.db2.gz	RFTCDIFGIGBJDP-UHFFFAOYSA-N	1	0	372.473	1.740	20	30		FDEDRO
C=CCCNC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C	ZINC000617616704	555474795	/nfs/dbraw/zinc/47/47/95/555474795.db2.gz	DNLZFUMBHKRHRF-UHFFFAOYSA-N	1	0	353.488	1.531	20	30		FDEDRO
C[NH+](C)CCn1cc(NC(=O)C(=O)NC2(c3cccc(C#N)c3)CC2)cn1	ZINC000618041729	555560111	/nfs/dbraw/zinc/56/01/11/555560111.db2.gz	CLXQKCFPTBIYDN-UHFFFAOYSA-N	1	0	366.425	1.060	20	30		FDEDRO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCC23CCOCC3)CC1	ZINC000618318142	555614247	/nfs/dbraw/zinc/61/42/47/555614247.db2.gz	DSSVGCBHTJVPCG-INIZCTEOSA-N	1	0	374.510	1.712	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(C(=O)N[C@@H]3CCc4cc(C#N)ccc43)CC2)C1	ZINC000618842670	555687803	/nfs/dbraw/zinc/68/78/03/555687803.db2.gz	OYSUOBJXNVALFG-UYAOXDASSA-N	1	0	367.497	1.967	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CCc2cc(C#N)ccc21	ZINC000618852165	555689001	/nfs/dbraw/zinc/68/90/01/555689001.db2.gz	SHDRHAZROKVSLT-BEFAXECRSA-N	1	0	355.486	1.871	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1	ZINC000618881739	555690460	/nfs/dbraw/zinc/69/04/60/555690460.db2.gz	RDJQXEGBYNBYNB-QGZVFWFLSA-N	1	0	372.388	1.881	20	30		FDEDRO
C[C@H]1C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CC2(CCOCC2)O1	ZINC000619175169	555733463	/nfs/dbraw/zinc/73/34/63/555733463.db2.gz	FORIYDUVFHVYGC-FUHWJXTLSA-N	1	0	360.454	1.762	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1N1CCN(C(=O)NCC2(C#N)CC2)CC1	ZINC000619534106	555795587	/nfs/dbraw/zinc/79/55/87/555795587.db2.gz	PHCRNBJRXWRADG-UHFFFAOYSA-N	1	0	371.485	1.762	20	30		FDEDRO
C[C@H](C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)n1cnc(C#N)n1	ZINC000619613971	555809153	/nfs/dbraw/zinc/80/91/53/555809153.db2.gz	BQJQGJMGVFYUHH-OWCLPIDISA-N	1	0	374.489	1.449	20	30		FDEDRO
C=CCn1c(-c2cc[nH]n2)nnc1N1CCC(CC)([NH+]2CCOCC2)CC1	ZINC000624839054	556652485	/nfs/dbraw/zinc/65/24/85/556652485.db2.gz	GWBKROLFQZXGLF-UHFFFAOYSA-N	1	0	371.489	1.935	20	30		FDEDRO
C=CCn1c(-c2cn[nH]c2)nnc1N1CC[N@H+](CCOC)[C@H](CCC)C1	ZINC000624844205	556653188	/nfs/dbraw/zinc/65/31/88/556653188.db2.gz	GHYUZNYDKPHEID-MRXNPFEDSA-N	1	0	359.478	1.791	20	30		FDEDRO
C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000624999195	556688614	/nfs/dbraw/zinc/68/86/14/556688614.db2.gz	WKNDRAFHORMOJG-INIZCTEOSA-N	1	0	359.478	1.791	20	30		FDEDRO
C=CCOc1c(Cl)cc(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1OC	ZINC000628299453	557619183	/nfs/dbraw/zinc/61/91/83/557619183.db2.gz	OYFVCXIWZDJLMY-TXEJJXNPSA-N	1	0	350.802	1.618	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC([NH2+]CCO)CC1	ZINC000631864350	558054902	/nfs/dbraw/zinc/05/49/02/558054902.db2.gz	NYQWACHUWIXNAV-HNNXBMFYSA-N	1	0	351.516	1.698	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC000632668735	558202336	/nfs/dbraw/zinc/20/23/36/558202336.db2.gz	LOIHOOOKLKSLEJ-MRXNPFEDSA-N	1	0	351.491	1.153	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1	ZINC000633027272	558244556	/nfs/dbraw/zinc/24/45/56/558244556.db2.gz	MKKQARRUHSZLDG-IRXDYDNUSA-N	1	0	368.437	1.012	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1cnn2c1CCCC2)C(C)C	ZINC000635039768	558560942	/nfs/dbraw/zinc/56/09/42/558560942.db2.gz	QZFRRROFHZKGDO-GOSISDBHSA-N	1	0	373.501	1.973	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2c3c(nn2C)CCCC3)CC1	ZINC000635050866	558564791	/nfs/dbraw/zinc/56/47/91/558564791.db2.gz	VCBNYTHOKGSKCF-UHFFFAOYSA-N	1	0	359.474	1.394	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1	ZINC000481477969	567977751	/nfs/dbraw/zinc/97/77/51/567977751.db2.gz	ICPMEBXSWLROLT-UHFFFAOYSA-N	1	0	372.450	1.614	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000636742225	568005473	/nfs/dbraw/zinc/00/54/73/568005473.db2.gz	ULPVQQGOYAWAEK-INIZCTEOSA-N	1	0	365.518	1.712	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000669118111	568047114	/nfs/dbraw/zinc/04/71/14/568047114.db2.gz	JXHRLHOETYGTHF-SJLPKXTDSA-N	1	0	359.470	1.332	20	30		FDEDRO
C#CCCCS(=O)(=O)N(C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1	ZINC000367778971	568587632	/nfs/dbraw/zinc/58/76/32/568587632.db2.gz	XQHLMQYGXWYINL-FUHWJXTLSA-N	1	0	366.531	1.868	20	30		FDEDRO
N#Cc1nccnc1N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000737731535	598339877	/nfs/dbraw/zinc/33/98/77/598339877.db2.gz	SSJFNQDNKWHHTO-UHFFFAOYSA-N	1	0	361.413	1.241	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)CC1	ZINC000823919447	607454310	/nfs/dbraw/zinc/45/43/10/607454310.db2.gz	FXQRBKYSDPNXKQ-UHFFFAOYSA-N	1	0	367.457	1.805	20	30		FDEDRO
C=C(C)C[NH+]1CCC(Nc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1	ZINC000272935694	674490121	/nfs/dbraw/zinc/49/01/21/674490121.db2.gz	UERNAGURTVVABE-UHFFFAOYSA-N	1	0	354.432	1.695	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@]2(C)CCC[NH2+]C2)ccc1F	ZINC000272945835	674491321	/nfs/dbraw/zinc/49/13/21/674491321.db2.gz	CVKBLNSNBMOUSZ-KRWDZBQOSA-N	1	0	369.462	1.410	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+][C@H](CO)c1ccc(Br)cc1	ZINC000273139303	674510360	/nfs/dbraw/zinc/51/03/60/674510360.db2.gz	TZTYDDXJPZABIX-CQSZACIVSA-N	1	0	354.248	1.834	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=NOCc2ccccc2-c2nn[nH]n2)cc1	ZINC000821587446	606178547	/nfs/dbraw/zinc/17/85/47/606178547.db2.gz	XUHMCJQVPUYEFA-UHFFFAOYSA-N	1	0	351.414	1.765	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cc(-c3nn[nH]n3)ccc2NCCC)CC1	ZINC000819701734	606192476	/nfs/dbraw/zinc/19/24/76/606192476.db2.gz	LNIUFFDLAYLVDM-UHFFFAOYSA-N	1	0	367.457	1.972	20	30		FDEDRO
C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)CC1CCS(=O)(=O)CC1	ZINC000823914735	607958315	/nfs/dbraw/zinc/95/83/15/607958315.db2.gz	MTTPWSYPWVLXMF-UHFFFAOYSA-N	1	0	361.471	1.680	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1	ZINC000824529537	608460266	/nfs/dbraw/zinc/46/02/66/608460266.db2.gz	GXMOZUIUYHDSMD-FHSNZYRGSA-N	1	0	355.446	1.960	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1ccc(C#N)cc1	ZINC000824564894	608463797	/nfs/dbraw/zinc/46/37/97/608463797.db2.gz	XVJQTEOVGGSXID-ZDUSSCGKSA-N	1	0	361.409	1.705	20	30		FDEDRO
N#Cc1cccc(C2([NH2+]CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)CC2)c1	ZINC000826386694	608531519	/nfs/dbraw/zinc/53/15/19/608531519.db2.gz	OUYQCTSEHLGHDD-UHFFFAOYSA-N	1	0	373.420	1.633	20	30		FDEDRO
C=CC[C@@H](CO)C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1	ZINC000823888664	609344225	/nfs/dbraw/zinc/34/42/25/609344225.db2.gz	SUTQIMRWYKOSJG-CYBMUJFWSA-N	1	0	353.430	1.541	20	30		FDEDRO
C[C@H](C#N)CNC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1	ZINC000824033815	609410886	/nfs/dbraw/zinc/41/08/86/609410886.db2.gz	BQDIFYNRAVUTJL-CYBMUJFWSA-N	1	0	356.434	1.100	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNS(=O)(=O)Cc2cccc(C#N)c2)CCCO1	ZINC000277978855	675073149	/nfs/dbraw/zinc/07/31/49/675073149.db2.gz	TVDDZFYKALTJRQ-HNNXBMFYSA-N	1	0	351.472	1.479	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NCC(C)(C)[NH+](C)C)ccc1F	ZINC000045846644	670983114	/nfs/dbraw/zinc/98/31/14/670983114.db2.gz	HYSXJUWGXIPVCN-UHFFFAOYSA-N	1	0	357.451	1.360	20	30		FDEDRO
CCS(=O)(=O)C[C@H](C)[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000278668238	675176752	/nfs/dbraw/zinc/17/67/52/675176752.db2.gz	NWMSWFATFLVQNW-AWEZNQCLSA-N	1	0	361.471	1.772	20	30		FDEDRO
C[NH+]=C(NC[C@](C)(O)c1ccco1)N1CCN(Cc2cccs2)CC1	ZINC000075077013	671416772	/nfs/dbraw/zinc/41/67/72/671416772.db2.gz	UNJRTHVJDBAMGA-SFHVURJKSA-N	1	0	362.499	1.942	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2nccc(C(F)F)n2)CC1	ZINC000287033220	675911531	/nfs/dbraw/zinc/91/15/31/675911531.db2.gz	HIKUNNKYEBMYSU-UHFFFAOYSA-N	1	0	356.377	1.439	20	30		FDEDRO
C=CCc1cc(C[N@H+]2CC[C@@H](S(=O)(=O)NCC)C2)c(O)c(OC)c1	ZINC000092304573	671516169	/nfs/dbraw/zinc/51/61/69/671516169.db2.gz	BSMVOMXOSBGCLN-OAHLLOKOSA-N	1	0	354.472	1.643	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1	ZINC000287314145	675914536	/nfs/dbraw/zinc/91/45/36/675914536.db2.gz	NRSDSSDJTXADEV-TZMCWYRMSA-N	1	0	350.444	1.540	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CSC[C@@H]2C(=O)NCCC(C)C)CC1	ZINC000103947878	671593256	/nfs/dbraw/zinc/59/32/56/671593256.db2.gz	JEYBVJQPMJYJBA-MRXNPFEDSA-N	1	0	351.516	1.395	20	30		FDEDRO
CC(C)NS(=O)(=O)Cc1ccccc1CNC(=[NH2+])N1CCSCC1	ZINC000104158633	671594382	/nfs/dbraw/zinc/59/43/82/671594382.db2.gz	MWRNXMIMBWTZQC-UHFFFAOYSA-N	1	0	370.544	1.378	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1	ZINC000115284009	671652126	/nfs/dbraw/zinc/65/21/26/671652126.db2.gz	WVTSZGIQRWVBRA-MRXNPFEDSA-N	1	0	351.491	1.997	20	30		FDEDRO
C=C(Br)CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000119031444	671669824	/nfs/dbraw/zinc/66/98/24/671669824.db2.gz	VLJGBIGKKJISHN-ZIAGYGMSSA-N	1	0	360.296	1.962	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1cccs1	ZINC000121306472	671702643	/nfs/dbraw/zinc/70/26/43/671702643.db2.gz	JFPLWVORGOCCSG-UONOGXRCSA-N	1	0	372.512	1.692	20	30		FDEDRO
CC1CC[NH+](CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1	ZINC000122086805	671713126	/nfs/dbraw/zinc/71/31/26/671713126.db2.gz	HJWALABVNKJMMM-OAHLLOKOSA-N	1	0	350.463	1.690	20	30		FDEDRO
C#CC[N@@H+](CC(=O)N1CCN(C(=O)c2cccs2)CC1)C1CCCC1	ZINC000155915895	671948401	/nfs/dbraw/zinc/94/84/01/671948401.db2.gz	PCIDLKDMAHXNKS-UHFFFAOYSA-N	1	0	359.495	1.910	20	30		FDEDRO
C[NH+]=C(NC[C@@H](C)Oc1cccc(C)c1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158574307	671981134	/nfs/dbraw/zinc/98/11/34/671981134.db2.gz	AVVLXHODOMDQPA-OAHLLOKOSA-N	1	0	367.515	1.847	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158628959	671981800	/nfs/dbraw/zinc/98/18/00/671981800.db2.gz	FQZWGLUHBNOHAH-MJBXVCDLSA-N	1	0	357.520	1.274	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C[NH2+]C)ccc1F	ZINC000161164941	672007526	/nfs/dbraw/zinc/00/75/26/672007526.db2.gz	JKVCXIUTRRXCPC-CYBMUJFWSA-N	1	0	355.435	1.114	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]([NH3+])C(C)(C)C)cc1	ZINC000162975123	672021613	/nfs/dbraw/zinc/02/16/13/672021613.db2.gz	QXRPKNRRZZIMSL-NPQOUYBPSA-N	1	0	366.487	1.811	20	30		FDEDRO
C#CCCS(=O)(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1	ZINC000288212399	675976719	/nfs/dbraw/zinc/97/67/19/675976719.db2.gz	DEGRSNLJKCOBBB-UHFFFAOYSA-N	1	0	354.447	1.612	20	30		FDEDRO
C[NH+]=C(NCC1CCOCC1)N[C@H]1CCN(c2ncccc2Cl)C1	ZINC000179211168	672156198	/nfs/dbraw/zinc/15/61/98/672156198.db2.gz	ZMTDXPWXCRWJCA-AWEZNQCLSA-N	1	0	351.882	1.905	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)cn1C	ZINC000181860774	672203069	/nfs/dbraw/zinc/20/30/69/672203069.db2.gz	OZVZYLDRDCKNTL-CQSZACIVSA-N	1	0	369.487	1.166	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1	ZINC000192585661	672356454	/nfs/dbraw/zinc/35/64/54/672356454.db2.gz	PFDIUYOTLPTWNM-CABCVRRESA-N	1	0	365.499	1.506	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCC2([NH3+])CCCCC2)c1	ZINC000237841531	672429011	/nfs/dbraw/zinc/42/90/11/672429011.db2.gz	KVORRNHHQHDTQY-UHFFFAOYSA-N	1	0	351.472	1.542	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1	ZINC000245444947	672443438	/nfs/dbraw/zinc/44/34/38/672443438.db2.gz	JZFCRKJWVOGNRC-CVEARBPZSA-N	1	0	363.483	1.460	20	30		FDEDRO
CC[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000245949077	672475838	/nfs/dbraw/zinc/47/58/38/672475838.db2.gz	BWSLZQIUKQQKLK-KSZLIROESA-N	1	0	350.507	1.304	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C[NH2+]C2CC2)c1	ZINC000255071960	672609458	/nfs/dbraw/zinc/60/94/58/672609458.db2.gz	DGPWBGBSNBKCNY-CYVLTUHYSA-N	1	0	350.444	1.190	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)NC[C@](C)(O)c1cccs1	ZINC000261629106	672639196	/nfs/dbraw/zinc/63/91/96/672639196.db2.gz	CFIYPVSUMYUTFB-DYVFJYSZSA-N	1	0	362.503	1.283	20	30		FDEDRO
C[NH+]=C(NCCS(C)(=O)=O)N1CCC[C@@]2(CCCc3ccccc32)C1	ZINC000261638411	672641161	/nfs/dbraw/zinc/64/11/61/672641161.db2.gz	DBMRADTXYOYWEO-IBGZPJMESA-N	1	0	363.527	1.977	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1(C)C)N1CCC(OC(C)(C)C)CC1	ZINC000261677488	672648939	/nfs/dbraw/zinc/64/89/39/672648939.db2.gz	CTTWRNDSTQHDAJ-UHFFFAOYSA-N	1	0	354.539	1.952	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1	ZINC000261678187	672649106	/nfs/dbraw/zinc/64/91/06/672649106.db2.gz	DCUIGJCLIAAWTN-HIFRSBDPSA-N	1	0	351.472	1.350	20	30		FDEDRO
C[NH+]=C(NCc1ccc(Cl)s1)N1CCN(C(C)(C)C(N)=O)CC1	ZINC000261681724	672650089	/nfs/dbraw/zinc/65/00/89/672650089.db2.gz	HRNUXLHCLHMOBB-UHFFFAOYSA-N	1	0	357.911	1.358	20	30		FDEDRO
CS(=O)(=O)N1CCC(CNC(=[NH2+])Nc2cccc3c2CCCC3)CC1	ZINC000261712097	672657027	/nfs/dbraw/zinc/65/70/27/672657027.db2.gz	VHYQWVKAMPGYCZ-UHFFFAOYSA-N	1	0	364.515	1.964	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])c1	ZINC000261731556	672660232	/nfs/dbraw/zinc/66/02/32/672660232.db2.gz	HTIADBPZPZBBSW-DZGCQCFKSA-N	1	0	351.472	1.350	20	30		FDEDRO
C[C@@]1(C[NH3+])CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1	ZINC000261765438	672668115	/nfs/dbraw/zinc/66/81/15/672668115.db2.gz	RPNQKYFUYRAESQ-ZDUSSCGKSA-N	1	0	358.261	1.680	20	30		FDEDRO
C[NH+]=C(NCC(=O)N1CCc2ccccc2C1)N1CCSC(C)(C)C1	ZINC000261799771	672673687	/nfs/dbraw/zinc/67/36/87/672673687.db2.gz	GVJSGKRGDBTQRW-UHFFFAOYSA-N	1	0	360.527	1.974	20	30		FDEDRO
CC[NH+]=C(NC[C@]1(O)CCSC1)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000261934651	672696923	/nfs/dbraw/zinc/69/69/23/672696923.db2.gz	LYNKZGZNOFLZTH-QGZVFWFLSA-N	1	0	356.536	1.151	20	30		FDEDRO
C[NH+]=C(NCCc1cc(F)ccc1F)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261950200	672700223	/nfs/dbraw/zinc/70/02/23/672700223.db2.gz	HEFFOWSQCSIXCF-UHFFFAOYSA-N	1	0	359.442	1.592	20	30		FDEDRO
C[NH+]=C(NC[C@@H](C1CCCCC1)N(C)C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261955882	672701531	/nfs/dbraw/zinc/70/15/31/672701531.db2.gz	ITBSCVUGTCNEKU-INIZCTEOSA-N	1	0	372.579	1.581	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)NC[C@]1(C)CCCS1	ZINC000261957684	672701910	/nfs/dbraw/zinc/70/19/10/672701910.db2.gz	JHHRFKOWLMJPAT-ZFWWWQNUSA-N	1	0	362.565	1.109	20	30		FDEDRO
C[NH+]=C(NCc1cccc(NS(C)(=O)=O)c1)N(C)Cc1cccn1C	ZINC000261958959	672702147	/nfs/dbraw/zinc/70/21/47/672702147.db2.gz	JOPIKYPBBJLYTN-UHFFFAOYSA-N	1	0	363.487	1.604	20	30		FDEDRO
CC(C)(C)NC(=[NH2+])NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000261964205	672703393	/nfs/dbraw/zinc/70/33/93/672703393.db2.gz	ANMPLBOMXFZBCF-UHFFFAOYSA-N	1	0	351.882	1.691	20	30		FDEDRO
Cc1nnc(CNC(=[NH+]C[C@H]2CCCO2)N2CCSC(C)(C)C2)n1C	ZINC000261978896	672705851	/nfs/dbraw/zinc/70/58/51/672705851.db2.gz	OJTPXHGVFWEIQM-CQSZACIVSA-N	1	0	366.535	1.576	20	30		FDEDRO
C[NH+]=C(NCc1cc(Cl)c2c(c1)OCCO2)N1CCO[C@@H](COC)C1	ZINC000261983558	672706435	/nfs/dbraw/zinc/70/64/35/672706435.db2.gz	RPVDTXGXIPLUFN-CYBMUJFWSA-N	1	0	369.849	1.534	20	30		FDEDRO
CN(C)C(NCc1ccccc1)=[NH+]C[C@@]1(N2CCOCC2)CCSC1	ZINC000261992950	672707910	/nfs/dbraw/zinc/70/79/10/672707910.db2.gz	MVBULUSGZJSXKP-IBGZPJMESA-N	1	0	362.543	1.902	20	30		FDEDRO
Cc1ccc(Br)cc1NC(=O)CNC(=[NH2+])N1CCOCC1	ZINC000262015104	672712228	/nfs/dbraw/zinc/71/22/28/672712228.db2.gz	VRLCWIYPZKJTPK-UHFFFAOYSA-N	1	0	355.236	1.343	20	30		FDEDRO
[NH2+]=C(NCCN1CCN(c2ccc(F)cc2)CC1)N1CCSCC1	ZINC000262021135	672713220	/nfs/dbraw/zinc/71/32/20/672713220.db2.gz	XVXRHSSIIBARSH-UHFFFAOYSA-N	1	0	351.495	1.311	20	30		FDEDRO
COCC1(CNS(=O)(=O)c2cccc(Cl)c2C#N)CC[NH2+]CC1	ZINC000262120435	672730247	/nfs/dbraw/zinc/73/02/47/672730247.db2.gz	XFXQGWDOKYMCLB-UHFFFAOYSA-N	1	0	357.863	1.506	20	30		FDEDRO
CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=[NH2+])Nc1cc(F)ccc1F	ZINC000262237156	672752183	/nfs/dbraw/zinc/75/21/83/672752183.db2.gz	ANJMCMNHXKSIBS-MFKMUULPSA-N	1	0	360.430	1.799	20	30		FDEDRO
[NH2+]=C(NC[C@H]1CCCS(=O)(=O)C1)N1CCN(c2ccc(F)cc2)CC1	ZINC000262327317	672770663	/nfs/dbraw/zinc/77/06/63/672770663.db2.gz	ULCBOQSUBZEZQO-CQSZACIVSA-N	1	0	368.478	1.087	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(NCc2ccc(F)c(F)c2)=[NH+]C2CC2)C1	ZINC000262329025	672771019	/nfs/dbraw/zinc/77/10/19/672771019.db2.gz	ANDHGPJVAYVZRD-GFCCVEGCSA-N	1	0	357.426	1.597	20	30		FDEDRO
CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2	ZINC000262340207	672773510	/nfs/dbraw/zinc/77/35/10/672773510.db2.gz	CLRJSKQBMBQWMH-CAOSSQGBSA-N	1	0	369.531	1.324	20	30		FDEDRO
CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	ZINC000262340212	672773568	/nfs/dbraw/zinc/77/35/68/672773568.db2.gz	CLRJSKQBMBQWMH-JONQDZQNSA-N	1	0	369.531	1.324	20	30		FDEDRO
CC(C)[NH+]=C(NCc1ccc2c(c1)OCO2)NC[C@H]1CCS(=O)(=O)C1	ZINC000262360923	672776623	/nfs/dbraw/zinc/77/66/23/672776623.db2.gz	GUVZLZGIPRFWLQ-CQSZACIVSA-N	1	0	367.471	1.294	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)=[NH+]C2CC2)C1	ZINC000262426204	672787617	/nfs/dbraw/zinc/78/76/17/672787617.db2.gz	RROWYUCHOGSOMA-BVUBDWEXSA-N	1	0	367.515	1.076	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)C(C)(C)C)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C	ZINC000262443586	672790564	/nfs/dbraw/zinc/79/05/64/672790564.db2.gz	VAHHSHRCHUEWLW-MJBXVCDLSA-N	1	0	359.536	1.568	20	30		FDEDRO
COCC1(C)CCN(C(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)CC1	ZINC000262449642	672791438	/nfs/dbraw/zinc/79/14/38/672791438.db2.gz	VSLTWFNTVRGDQM-CQSZACIVSA-N	1	0	357.520	1.278	20	30		FDEDRO
C=CCNC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	ZINC000262451214	672791743	/nfs/dbraw/zinc/79/17/43/672791743.db2.gz	VZFMFVMJFPQKEW-JONQDZQNSA-N	1	0	367.515	1.100	20	30		FDEDRO
CC(C)[NH+]=C(NCc1ccc(Cl)cn1)NC[C@H]1CCS(=O)(=O)C1	ZINC000262461382	672793331	/nfs/dbraw/zinc/79/33/31/672793331.db2.gz	XPZMVDVXBNNDND-GFCCVEGCSA-N	1	0	358.895	1.613	20	30		FDEDRO
CC(C)(C)OC1CCN(C(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)CC1	ZINC000262477258	672795877	/nfs/dbraw/zinc/79/58/77/672795877.db2.gz	ZWNYFXDNFJVKDV-CQSZACIVSA-N	1	0	371.547	1.809	20	30		FDEDRO
C/[NH+]=C(/NCc1cn2ccsc2n1)N1CCN(c2ccccn2)CC1	ZINC000262514870	672801750	/nfs/dbraw/zinc/80/17/50/672801750.db2.gz	CLHDHKQBUZFRLE-UHFFFAOYSA-N	1	0	355.471	1.688	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NC[C@@H]2CCCCN2S(C)(=O)=O)cc1Cl	ZINC000262628069	672821052	/nfs/dbraw/zinc/82/10/52/672821052.db2.gz	FBIGZTYPQBTYRR-LBPRGKRZSA-N	1	0	374.894	1.889	20	30		FDEDRO
CC[NH+]=C(NC[C@]1(N(C)C)CCSC1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	ZINC000262792868	672850294	/nfs/dbraw/zinc/85/02/94/672850294.db2.gz	OQPZDAQAIXVDIC-JTOWHCCKSA-N	1	0	354.564	1.792	20	30		FDEDRO
CO[C@@H]1COCC[C@H]1CNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1	ZINC000263168760	672865046	/nfs/dbraw/zinc/86/50/46/672865046.db2.gz	RPZVAFVXVGAEIV-WMLDXEAASA-N	1	0	366.893	1.828	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccc(OC)c(O)c2)CC1	ZINC000264067181	672899953	/nfs/dbraw/zinc/89/99/53/672899953.db2.gz	BSGLKGGMLVZKJQ-UHFFFAOYSA-N	1	0	350.419	1.426	20	30		FDEDRO
[NH2+]=C(NCCC(=O)Nc1ccc(Br)cc1)N1CCOCC1	ZINC000264107019	672901618	/nfs/dbraw/zinc/90/16/18/672901618.db2.gz	PWYBHOVDCVLLNZ-UHFFFAOYSA-N	1	0	355.236	1.425	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)NCC[N@@H+](C)C2CCCC2)c1	ZINC000264134078	672902610	/nfs/dbraw/zinc/90/26/10/672902610.db2.gz	FKKFJJLOMXOPTM-UHFFFAOYSA-N	1	0	363.483	1.202	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1	ZINC000264136432	672903085	/nfs/dbraw/zinc/90/30/85/672903085.db2.gz	ZUHJNAISTSEIBH-MELADBBJSA-N	1	0	352.454	1.879	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1	ZINC000264660278	672920705	/nfs/dbraw/zinc/92/07/05/672920705.db2.gz	SVMWSCVTDVALEE-AWEZNQCLSA-N	1	0	363.483	1.365	20	30		FDEDRO
Cc1noc(C)c1CCNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000267410688	673300737	/nfs/dbraw/zinc/30/07/37/673300737.db2.gz	IIBQQFVBNLCLBY-UHFFFAOYSA-N	1	0	351.451	1.701	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1c(F)cccc1OC(F)F	ZINC000267680552	673319657	/nfs/dbraw/zinc/31/96/57/673319657.db2.gz	PJKZKYYERFAFNV-UHFFFAOYSA-N	1	0	360.380	1.554	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](CC[NH3+])C2)ccc1F	ZINC000282083179	675595731	/nfs/dbraw/zinc/59/57/31/675595731.db2.gz	XUNKPLHLZKEEKM-ZDUSSCGKSA-N	1	0	369.462	1.491	20	30		FDEDRO
C[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000282478270	675629600	/nfs/dbraw/zinc/62/96/00/675629600.db2.gz	XLALXZVUWQUOEF-NUJGCVRESA-N	1	0	364.515	1.823	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000282578988	675636681	/nfs/dbraw/zinc/63/66/81/675636681.db2.gz	GWBFBIRSYWAICM-IAGOWNOFSA-N	1	0	364.515	1.919	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NCc1ccc(OCCC[NH+](C)C)cc1	ZINC000282644801	675638030	/nfs/dbraw/zinc/63/80/30/675638030.db2.gz	LOVPMSDJVPNHLQ-OAHLLOKOSA-N	1	0	368.503	1.443	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N(CC[NH+](C)C)Cc1ccccc1F	ZINC000282976723	675645039	/nfs/dbraw/zinc/64/50/39/675645039.db2.gz	XCVMDTLABTVVQX-CQSZACIVSA-N	1	0	356.467	1.526	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(F)cc2F)CC1	ZINC000283633109	675659143	/nfs/dbraw/zinc/65/91/43/675659143.db2.gz	WUYNSYYBHPVKSG-UHFFFAOYSA-N	1	0	351.397	1.738	20	30		FDEDRO
CCN1CCC[C@@H]1CNC(=[NH2+])NCCS(=O)(=O)CCc1ccccc1	ZINC000283795481	675661510	/nfs/dbraw/zinc/66/15/10/675661510.db2.gz	MXDYVJXISUNTCS-QGZVFWFLSA-N	1	0	366.531	1.033	20	30		FDEDRO
COc1ccccc1CNC(=[NH2+])NC[C@H]1CCCC[C@@H]1NS(C)(=O)=O	ZINC000285102392	675798583	/nfs/dbraw/zinc/79/85/83/675798583.db2.gz	OSFMWNMFBTZPMU-HIFRSBDPSA-N	1	0	368.503	1.208	20	30		FDEDRO
CN(C[C@@H]1CCC[N@H+](CCOc2ccc(C#N)cc2)C1)S(C)(=O)=O	ZINC000285563439	675834334	/nfs/dbraw/zinc/83/43/34/675834334.db2.gz	JSKIGRULTHMLTC-INIZCTEOSA-N	1	0	351.472	1.540	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2([NH3+])CCC2)c1	ZINC000295516825	676406593	/nfs/dbraw/zinc/40/65/93/676406593.db2.gz	VITHSGYKKQKTBE-XMHGGMMESA-N	1	0	350.444	1.319	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCC(=O)Nc1ccc(F)c(F)c1F	ZINC000296450418	676418777	/nfs/dbraw/zinc/41/87/77/676418777.db2.gz	YGEAXKFOHRKMFC-UHFFFAOYSA-N	1	0	356.348	1.297	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)Cc1ccc(C(=O)OCC)cc1	ZINC000297271657	676425567	/nfs/dbraw/zinc/42/55/67/676425567.db2.gz	ZLOUDLKGDIEDLV-UHFFFAOYSA-N	1	0	352.456	1.238	20	30		FDEDRO
C#CCN(C)CCCNC(=O)N[C@H](CS(C)(=O)=O)c1ccccc1	ZINC000297530195	676426562	/nfs/dbraw/zinc/42/65/62/676426562.db2.gz	ZYWDBWVRTGBOOB-MRXNPFEDSA-N	1	0	351.472	1.027	20	30		FDEDRO
C[C@H](O)C[N@H+](CCO)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2	ZINC000298461864	676465556	/nfs/dbraw/zinc/46/55/56/676465556.db2.gz	IDHADVAKAGNQIF-OLZOCXBDSA-N	1	0	365.499	1.748	20	30		FDEDRO
CCOCCCNC(=[NH2+])NCCNC(=O)c1ccc(Br)cc1	ZINC000303889607	676543513	/nfs/dbraw/zinc/54/35/13/676543513.db2.gz	POENVLFVKGXBMZ-UHFFFAOYSA-N	1	0	371.279	1.510	20	30		FDEDRO
C[C@@H]1CCCN(C(=[NH2+])NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1	ZINC000304765843	676544498	/nfs/dbraw/zinc/54/44/98/676544498.db2.gz	ZVRJXKCONABHPH-LLVKDONJSA-N	1	0	370.441	1.595	20	30		FDEDRO
[NH2+]=C(NCCCO[C@@H]1CCOC1)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000305025201	676544714	/nfs/dbraw/zinc/54/47/14/676544714.db2.gz	PCWWZWXIMYDJEG-QGZVFWFLSA-N	1	0	366.893	1.972	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1	ZINC000305260585	676544975	/nfs/dbraw/zinc/54/49/75/676544975.db2.gz	NZDLJBUTOKFDSF-KFWWJZLASA-N	1	0	350.463	1.469	20	30		FDEDRO
C[NH+]=C(NCCN(C)S(=O)(=O)c1cccs1)NCc1ccco1	ZINC000305229234	676545018	/nfs/dbraw/zinc/54/50/18/676545018.db2.gz	XGCUUSZXTWCODV-UHFFFAOYSA-N	1	0	356.473	1.327	20	30		FDEDRO
C[NH+]=C(NCCN(CCOC)C(=O)OC(C)(C)C)NCc1ccco1	ZINC000305730545	676545263	/nfs/dbraw/zinc/54/52/63/676545263.db2.gz	NJPKLPWUAFYJMX-UHFFFAOYSA-N	1	0	354.451	1.828	20	30		FDEDRO
CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N1CCC([NH+]2CCCCC2)CC1	ZINC000328666204	676601524	/nfs/dbraw/zinc/60/15/24/676601524.db2.gz	CLXLIXADCXLRFW-MRXNPFEDSA-N	1	0	372.535	1.275	20	30		FDEDRO
C[C@@H](CNC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)N1CCOCC1	ZINC000328689025	676602282	/nfs/dbraw/zinc/60/22/82/676602282.db2.gz	QGGQMRGUEIWIBN-BBWFWOEESA-N	1	0	354.539	1.967	20	30		FDEDRO
C[C@H](CNC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)N1CCOCC1	ZINC000328689029	676602388	/nfs/dbraw/zinc/60/23/88/676602388.db2.gz	QGGQMRGUEIWIBN-IXDOHACOSA-N	1	0	354.539	1.967	20	30		FDEDRO
COc1nnc(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)s1	ZINC000328698334	676602865	/nfs/dbraw/zinc/60/28/65/676602865.db2.gz	LQZMFGULSYOTAK-NEPJUHHUSA-N	1	0	355.464	1.641	20	30		FDEDRO
COc1nccc(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)n1	ZINC000328727630	676604315	/nfs/dbraw/zinc/60/43/15/676604315.db2.gz	DKIPRZZVNFSHNK-UHFFFAOYSA-N	1	0	351.476	2.173	20	30		FDEDRO
CC(C)(CNC(=O)C[N@@H+]1CC[C@@H](C2CCOCC2)C1)N1CCOCC1	ZINC000328836659	676608916	/nfs/dbraw/zinc/60/89/16/676608916.db2.gz	MTWZSAVXCXLUCK-QGZVFWFLSA-N	1	0	353.507	1.802	20	30		FDEDRO
Cc1nc([C@@H]2CCCOC2)sc1C(=O)NC[C@H]1C[N@@H+](C)CCN1C	ZINC000328895061	676611347	/nfs/dbraw/zinc/61/13/47/676611347.db2.gz	VZHKCSXPLKJFCI-KGLIPLIRSA-N	1	0	352.504	1.896	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H](NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000328908515	676611718	/nfs/dbraw/zinc/61/17/18/676611718.db2.gz	MDSNEDADDZPHGK-OAHLLOKOSA-N	1	0	364.471	1.620	20	30		FDEDRO
Cc1csc(NC(=O)CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)n1	ZINC000328919705	676612180	/nfs/dbraw/zinc/61/21/80/676612180.db2.gz	BQAYRAXTNHYYJU-UKRRQHHQSA-N	1	0	351.520	1.997	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)C1	ZINC000328955988	676613760	/nfs/dbraw/zinc/61/37/60/676613760.db2.gz	OXCKASGLDNTOGK-NTDBWNAOSA-N	1	0	353.507	1.884	20	30		FDEDRO
Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCC[N@H+]1CC=CCC1	ZINC000328998479	676615657	/nfs/dbraw/zinc/61/56/57/676615657.db2.gz	KNOUZMLBEOHEDI-LBPRGKRZSA-N	1	0	356.448	1.177	20	30		FDEDRO
CCS(=O)(=O)N1CCC[C@H](C(=O)NC2CC[NH+](CC3CC3)CC2)C1	ZINC000329044591	676617362	/nfs/dbraw/zinc/61/73/62/676617362.db2.gz	ULHCOKPGFIMLHP-HNNXBMFYSA-N	1	0	357.520	1.879	20	30		FDEDRO
Cc1noc([C@@H]2CN(C(=O)N[C@@H](C)C[NH+]3CCCCC3)CCN2C)n1	ZINC000329073103	676618386	/nfs/dbraw/zinc/61/83/86/676618386.db2.gz	ZWCUQBXRTLZNAO-ZFWWWQNUSA-N	1	0	350.467	1.455	20	30		FDEDRO
CNS(=O)(=O)N1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1	ZINC000329090616	676619508	/nfs/dbraw/zinc/61/95/08/676619508.db2.gz	JCRJQAABHQYSSU-OAHLLOKOSA-N	1	0	358.508	1.136	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)C1	ZINC000329098007	676619920	/nfs/dbraw/zinc/61/99/20/676619920.db2.gz	YRODIHBPCUGVJF-XHSDSOJGSA-N	1	0	351.495	1.571	20	30		FDEDRO
C[C@@H]1[C@H](C)N(C(=O)Nc2nc(CN3CCOCC3)cs2)CC[N@H+]1C	ZINC000329131309	676621922	/nfs/dbraw/zinc/62/19/22/676621922.db2.gz	XRXJPCIQQJEHDG-OLZOCXBDSA-N	1	0	353.492	1.545	20	30		FDEDRO
C[C@H](CNC(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1)[N@H+](C)C1CC1	ZINC000329189146	676624032	/nfs/dbraw/zinc/62/40/32/676624032.db2.gz	BXIAREJYGHOPEQ-HUUCEWRRSA-N	1	0	351.495	1.653	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)CSCc3cccnc3)CC2)C1=O	ZINC000329193795	676624476	/nfs/dbraw/zinc/62/44/76/676624476.db2.gz	SPPNRCKXELJNND-INIZCTEOSA-N	1	0	362.499	1.966	20	30		FDEDRO
C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1	ZINC000329229831	676627017	/nfs/dbraw/zinc/62/70/17/676627017.db2.gz	JONZXEDOLZHCKN-RRFJBIMHSA-N	1	0	372.535	1.319	20	30		FDEDRO
C[NH+](C)[C@@]1(CNC(=O)N2CCN(CC(F)(F)F)C(=O)C2)CCSC1	ZINC000329247971	676628520	/nfs/dbraw/zinc/62/85/20/676628520.db2.gz	WLSNHCQSLVOLAT-CYBMUJFWSA-N	1	0	368.425	1.044	20	30		FDEDRO
C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1	ZINC000329300502	676631911	/nfs/dbraw/zinc/63/19/11/676631911.db2.gz	MMNPRYWIHWQIRG-FPSMNIFISA-N	1	0	352.523	1.408	20	30		FDEDRO
CCN(CC)C(=O)N1CCC(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1	ZINC000329375925	676636104	/nfs/dbraw/zinc/63/61/04/676636104.db2.gz	OAXRJJDHZYNVJU-MRXNPFEDSA-N	1	0	353.511	1.363	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C	ZINC000329384523	676636482	/nfs/dbraw/zinc/63/64/82/676636482.db2.gz	RRHMFGSFYOCGRQ-KGLIPLIRSA-N	1	0	356.536	1.526	20	30		FDEDRO
C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCC([NH+]2CCCCC2)CC1	ZINC000329554715	676643719	/nfs/dbraw/zinc/64/37/19/676643719.db2.gz	QALXIGMCTBBLBF-HNNXBMFYSA-N	1	0	350.507	1.903	20	30		FDEDRO
CSc1cc2c(cc1NC(=O)NCC1(O)CC[NH+](C)CC1)OCCO2	ZINC000329580559	676645017	/nfs/dbraw/zinc/64/50/17/676645017.db2.gz	PSSLYTXKWBIXCR-UHFFFAOYSA-N	1	0	367.471	1.962	20	30		FDEDRO
C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000329667198	676648448	/nfs/dbraw/zinc/64/84/48/676648448.db2.gz	LHYRAHPLCJICAS-CFJKZRSOSA-N	1	0	357.520	1.243	20	30		FDEDRO
C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCCS2(=O)=O)C1	ZINC000329683139	676649069	/nfs/dbraw/zinc/64/90/69/676649069.db2.gz	YZIHZGPHHXJGFR-CABCVRRESA-N	1	0	359.536	1.968	20	30		FDEDRO
C[C@H](C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)[N@H+](C)Cc1ccccc1	ZINC000329761432	676653539	/nfs/dbraw/zinc/65/35/39/676653539.db2.gz	RJUUZOXVMBPLRY-ZBFHGGJFSA-N	1	0	353.488	1.887	20	30		FDEDRO
O=C(NC1CC[NH+](C2CCCCC2)CC1)N[C@H]1CCCS(=O)(=O)C1	ZINC000329809435	676658036	/nfs/dbraw/zinc/65/80/36/676658036.db2.gz	CBVVJSXFVPQEIV-HNNXBMFYSA-N	1	0	357.520	1.864	20	30		FDEDRO
CN1C[C@H](NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2cccs2)CC1=O	ZINC000329894119	676662713	/nfs/dbraw/zinc/66/27/13/676662713.db2.gz	BDSFABJXOARNBL-XQQFMLRXSA-N	1	0	354.451	1.395	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@H](C)O[C@@]3(CCOC3)C2)C1	ZINC000329947227	676665143	/nfs/dbraw/zinc/66/51/43/676665143.db2.gz	YFSFVGRQZAIYAZ-JZXOWHBKSA-N	1	0	355.479	1.137	20	30		FDEDRO
CC(=O)N1CCC[C@H](CNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C1	ZINC000330031536	676669475	/nfs/dbraw/zinc/66/94/75/676669475.db2.gz	UDWXYXCZGZSFNH-AEFFLSMTSA-N	1	0	350.507	1.823	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)N[C@@H](C)c2nnc3n2CCCC3)CC1	ZINC000330152958	676675501	/nfs/dbraw/zinc/67/55/01/676675501.db2.gz	MJZBBMGZEACICS-ZDUSSCGKSA-N	1	0	350.467	1.290	20	30		FDEDRO
CS(=O)(=O)N1CCC[C@@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)C1	ZINC000330167353	676676263	/nfs/dbraw/zinc/67/62/63/676676263.db2.gz	YVUGAXYALAZDDW-OAHLLOKOSA-N	1	0	372.535	1.321	20	30		FDEDRO
COCCO[C@@H]1COCC[C@@H]1NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21	ZINC000330192451	676677698	/nfs/dbraw/zinc/67/76/98/676677698.db2.gz	XYNIHILNQDHLGV-YYIAUSFCSA-N	1	0	355.479	1.137	20	30		FDEDRO
C[C@H](CNC(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1)CN1CCOCC1	ZINC000330210916	676678690	/nfs/dbraw/zinc/67/86/90/676678690.db2.gz	ITKAALVKRHHVMF-INMHGKMJSA-N	1	0	357.520	1.513	20	30		FDEDRO
CN(C)C(=O)CCN1CCN(C(=O)N[C@H]2CCOC3(CCC3)C2)CC1	ZINC000330219702	676679397	/nfs/dbraw/zinc/67/93/97/676679397.db2.gz	KIVKPSSEYMHRBR-HNNXBMFYSA-N	1	0	352.479	1.098	20	30		FDEDRO
CNC(=O)[C@]1(C)CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1	ZINC000330277223	676682687	/nfs/dbraw/zinc/68/26/87/676682687.db2.gz	NYHDWTYLFLKISA-RVKKMQEKSA-N	1	0	352.479	1.577	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000330380480	676687188	/nfs/dbraw/zinc/68/71/88/676687188.db2.gz	UQHMVTNNWZSRCB-NUJGCVRESA-N	1	0	364.515	1.823	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)c2cccc(CS(C)(=O)=O)c2)CC1(C)C	ZINC000330431273	676690135	/nfs/dbraw/zinc/69/01/35/676690135.db2.gz	WBEDIIMICRWIHU-UHFFFAOYSA-N	1	0	367.515	1.562	20	30		FDEDRO
C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CC[C@H]([NH+]2CCCCC2)C1	ZINC000330639202	676699200	/nfs/dbraw/zinc/69/92/00/676699200.db2.gz	GYCMVVGXOVQZIQ-NEPJUHHUSA-N	1	0	350.385	1.528	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1	ZINC000330659038	676700174	/nfs/dbraw/zinc/70/01/74/676700174.db2.gz	RCFHJWGMURBTMD-HNNXBMFYSA-N	1	0	372.535	1.202	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc1	ZINC000330726787	676702303	/nfs/dbraw/zinc/70/23/03/676702303.db2.gz	FONKBLYTUNTEDR-BFHYXJOUSA-N	1	0	364.471	1.929	20	30		FDEDRO
CC(C)(O)C[NH+]1CCN(C(=O)NCCc2cc(F)c(F)c(F)c2)CC1	ZINC000330772403	676703602	/nfs/dbraw/zinc/70/36/02/676703602.db2.gz	DJYJYLYNFFNYAQ-UHFFFAOYSA-N	1	0	359.392	1.949	20	30		FDEDRO
C[NH+](C)CCN(C(=O)Nc1ccc(S(C)(=O)=O)nc1)C1CCCC1	ZINC000330820323	676705155	/nfs/dbraw/zinc/70/51/55/676705155.db2.gz	SRIICUWBZOLGQN-UHFFFAOYSA-N	1	0	354.476	1.837	20	30		FDEDRO
COC[C@H](NC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)c1ccc(F)cc1	ZINC000330845203	676706272	/nfs/dbraw/zinc/70/62/72/676706272.db2.gz	LIQDDXPPRMZHSO-KEYYUXOJSA-N	1	0	353.438	1.814	20	30		FDEDRO
C[C@H](C[S@@](C)=O)NC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1	ZINC000330875480	676707801	/nfs/dbraw/zinc/70/78/01/676707801.db2.gz	ZTRCDHOIJLPZSV-OYLFLEFRSA-N	1	0	358.552	1.017	20	30		FDEDRO
CO[C@H](C)c1nc(CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)cs1	ZINC000330993806	676713242	/nfs/dbraw/zinc/71/32/42/676713242.db2.gz	SWJLVPRPJTWMSX-GFCCVEGCSA-N	1	0	356.492	1.653	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNC(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1	ZINC000330997194	676713419	/nfs/dbraw/zinc/71/34/19/676713419.db2.gz	VBYUOXTZUUCHST-UHFFFAOYSA-N	1	0	369.487	1.651	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O)C(=O)NC1(C#N)CCCCC1	ZINC000331170068	676719760	/nfs/dbraw/zinc/71/97/60/676719760.db2.gz	HYBBSSWJMNJSNJ-ZNMIVQPWSA-N	1	0	370.519	1.168	20	30		FDEDRO
C[C@H](C[S@@](C)=O)NC(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1	ZINC000331208833	676722014	/nfs/dbraw/zinc/72/20/14/676722014.db2.gz	GFFPFIDQKGLZLV-SZKRDEBKSA-N	1	0	352.504	1.687	20	30		FDEDRO
CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)NCC2([NH+](C)C)CCCC2)C1	ZINC000331222434	676722778	/nfs/dbraw/zinc/72/27/78/676722778.db2.gz	VRPRFTXXGNOCLE-AWEZNQCLSA-N	1	0	360.524	1.177	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)C[C@@H]1C	ZINC000331301432	676726513	/nfs/dbraw/zinc/72/65/13/676726513.db2.gz	VDIKYBADGBZYRF-SMDDNHRTSA-N	1	0	372.466	1.823	20	30		FDEDRO
COc1cnccc1[C@H](C)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C	ZINC000331325386	676727515	/nfs/dbraw/zinc/72/75/15/676727515.db2.gz	NTCZCSSKCMEQQU-KGLIPLIRSA-N	1	0	350.463	1.842	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[N@H+](CC2CCCCC2)CC1	ZINC000332230380	676737421	/nfs/dbraw/zinc/73/74/21/676737421.db2.gz	DHFGITVECRPBNX-MRXNPFEDSA-N	1	0	350.507	1.975	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[NH+](CC2CCOCC2)CC1	ZINC000333510909	676769808	/nfs/dbraw/zinc/76/98/08/676769808.db2.gz	XQJYAGUCBGUUTR-MSOLQXFVSA-N	1	0	351.491	1.721	20	30		FDEDRO
CN1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C[C@@H]1C#N	ZINC000364261206	677003157	/nfs/dbraw/zinc/00/31/57/677003157.db2.gz	TVEFYIROQYDIDF-HNNXBMFYSA-N	1	0	351.520	1.197	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1	ZINC000366234483	677424716	/nfs/dbraw/zinc/42/47/16/677424716.db2.gz	QTTAOQIMPOQUQV-UHFFFAOYSA-N	1	0	362.396	1.393	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1	ZINC000367249915	677490927	/nfs/dbraw/zinc/49/09/27/677490927.db2.gz	CLUPVLXUGJSVKX-KRWDZBQOSA-N	1	0	372.535	1.480	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCC(=O)N(C)[C@@H]2c2cccs2)CC1	ZINC000367503571	677493036	/nfs/dbraw/zinc/49/30/36/677493036.db2.gz	UORXZJMPRBAOLO-YJBOKZPZSA-N	1	0	359.495	1.871	20	30		FDEDRO
C#CCCCS(=O)(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000367740756	677495387	/nfs/dbraw/zinc/49/53/87/677495387.db2.gz	PUUJRFAQJSRCCS-UHFFFAOYSA-N	1	0	350.484	1.992	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC1CCC([NH+]2CCC(C)CC2)CC1	ZINC000369107286	677503134	/nfs/dbraw/zinc/50/31/34/677503134.db2.gz	QYSXVZDEMISQFK-KLAILNCOSA-N	1	0	356.536	1.955	20	30		FDEDRO
N#Cc1cccc(OCCN2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)c1	ZINC000369906296	677526474	/nfs/dbraw/zinc/52/64/74/677526474.db2.gz	OPIIGOXRCOEFSW-QGZVFWFLSA-N	1	0	363.483	1.178	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccnc2)C1	ZINC000370526692	677587701	/nfs/dbraw/zinc/58/77/01/677587701.db2.gz	FTTOHVVRSVYCLT-DOTOQJQBSA-N	1	0	365.503	1.219	20	30		FDEDRO
COC[C@@H]1CCCC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1	ZINC000372109417	677844310	/nfs/dbraw/zinc/84/43/10/677844310.db2.gz	RUTBINLQQVGUBF-MSOLQXFVSA-N	1	0	350.507	1.427	20	30		FDEDRO
COCCC[N@@H+]1CCCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1	ZINC000372325975	677895733	/nfs/dbraw/zinc/89/57/33/677895733.db2.gz	MOFICOYQFXWHDZ-UHFFFAOYSA-N	1	0	371.890	1.945	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CN(C(=O)C(C)(C)C)CCO2)CC1	ZINC000373111262	678028427	/nfs/dbraw/zinc/02/84/27/678028427.db2.gz	XTUIGYCQOFUMLJ-MRXNPFEDSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CCN1CCC(NC(=O)N(C)[C@@H]2CS(=O)(=O)c3ccccc32)CC1	ZINC000373585418	678065087	/nfs/dbraw/zinc/06/50/87/678065087.db2.gz	NPZXRFPHOBLTQJ-MRXNPFEDSA-N	1	0	363.483	1.807	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)CC1	ZINC000376322585	678274139	/nfs/dbraw/zinc/27/41/39/678274139.db2.gz	NCEXOIBJMRDKGC-MRXNPFEDSA-N	1	0	372.535	1.092	20	30		FDEDRO
C[NH+]1CCC2(CCCN(CCS(=O)(=O)c3ccc(C#N)cn3)C2)CC1	ZINC000377592209	678568709	/nfs/dbraw/zinc/56/87/09/678568709.db2.gz	NLLZGMXJLNXKRO-UHFFFAOYSA-N	1	0	362.499	1.535	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)CCC(C)(C)C#N)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000377883140	678642011	/nfs/dbraw/zinc/64/20/11/678642011.db2.gz	IBINGMDVCVESSO-JKSUJKDBSA-N	1	0	356.536	1.214	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1	ZINC000378009381	678671190	/nfs/dbraw/zinc/67/11/90/678671190.db2.gz	IMPGZDREKUXGLN-NWDGAFQWSA-N	1	0	370.272	1.551	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000409561697	678860041	/nfs/dbraw/zinc/86/00/41/678860041.db2.gz	MRYLTIGWELKDIC-IYBDPMFKSA-N	1	0	374.551	1.439	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000410146765	678885357	/nfs/dbraw/zinc/88/53/57/678885357.db2.gz	BZHLNEAPLUMDNV-SFHVURJKSA-N	1	0	364.515	1.921	20	30		FDEDRO
COC(=O)CCN(Cc1cccc(F)c1F)C(=O)[C@H]([NH3+])CCCC#N	ZINC000424183045	680831381	/nfs/dbraw/zinc/83/13/81/680831381.db2.gz	UZFDLAAASNYIMA-CQSZACIVSA-N	1	0	353.369	1.878	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCSC[C@H](C(=O)OC)C2)CC1	ZINC000413245522	679248589	/nfs/dbraw/zinc/24/85/89/679248589.db2.gz	SENUOBFLFWHOLS-CQSZACIVSA-N	1	0	355.504	1.575	20	30		FDEDRO
Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)C[C@H]2[NH3+])cn1	ZINC000424390981	680838890	/nfs/dbraw/zinc/83/88/90/680838890.db2.gz	LNDVQTALSUPNJP-DZGCQCFKSA-N	1	0	365.846	1.061	20	30		FDEDRO
Cc1sc2nc(SC[C@@H](O)CN(C)CCC#N)n(C)c(=O)c2c1C	ZINC000414097023	679330324	/nfs/dbraw/zinc/33/03/24/679330324.db2.gz	MTRGOPGTUVPJOJ-LBPRGKRZSA-N	1	0	366.512	1.910	20	30		FDEDRO
N#Cc1cc(NC(=O)NC[C@H]2C[NH2+]C[C@H]2O)ccc1OCC(F)(F)F	ZINC000414832400	679370995	/nfs/dbraw/zinc/37/09/95/679370995.db2.gz	DLLGQESRXMJRAB-ZYHUDNBSSA-N	1	0	358.320	1.201	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1	ZINC000414892586	679372839	/nfs/dbraw/zinc/37/28/39/679372839.db2.gz	JITGWQUUCYJGGO-KGLIPLIRSA-N	1	0	366.487	1.694	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@](C)(C[NH3+])C(C)C)cc1	ZINC000414899644	679373370	/nfs/dbraw/zinc/37/33/70/679373370.db2.gz	VABNEWIWEJRMFS-KRWDZBQOSA-N	1	0	368.503	1.988	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC[C@@H]1[NH3+]	ZINC000415445998	679432604	/nfs/dbraw/zinc/43/26/04/679432604.db2.gz	PGFABRFYZUVTBW-RNCFNFMXSA-N	1	0	365.231	1.455	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@@H](CC[NH3+])C(F)F)n1	ZINC000415451645	679433076	/nfs/dbraw/zinc/43/30/76/679433076.db2.gz	XRBAPHPAZFVQPD-NSHDSACASA-N	1	0	352.320	1.987	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)C(=O)N(C)CC[NH2+]C	ZINC000415548542	679449164	/nfs/dbraw/zinc/44/91/64/679449164.db2.gz	RBUBLPWTANDQLE-UHFFFAOYSA-N	1	0	370.247	1.630	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)ccc1Br	ZINC000415646101	679470936	/nfs/dbraw/zinc/47/09/36/679470936.db2.gz	MINWTDLYWIQKPC-WDEREUQCSA-N	1	0	365.231	1.645	20	30		FDEDRO
N#CCCSc1ccccc1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1	ZINC000415756194	679493711	/nfs/dbraw/zinc/49/37/11/679493711.db2.gz	AVANEGOAXTYJBF-KGLIPLIRSA-N	1	0	358.467	1.841	20	30		FDEDRO
C=CCC1(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)CCOCC1	ZINC000424838928	680859974	/nfs/dbraw/zinc/85/99/74/680859974.db2.gz	FGAWYWGWEOBLFV-UHFFFAOYSA-N	1	0	351.491	1.468	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1	ZINC000416393865	679602478	/nfs/dbraw/zinc/60/24/78/679602478.db2.gz	VYCXRHGCLQWJNY-HUUCEWRRSA-N	1	0	351.472	1.718	20	30		FDEDRO
CCOC(=O)c1cnc(NC(=O)N(CCC#N)CCC[NH+](C)C)n1C	ZINC000417140672	679746156	/nfs/dbraw/zinc/74/61/56/679746156.db2.gz	QIKBPLLWUDZZKV-UHFFFAOYSA-N	1	0	350.423	1.296	20	30		FDEDRO
C=CC[C@H](CO)CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1	ZINC000418557910	680089623	/nfs/dbraw/zinc/08/96/23/680089623.db2.gz	BFEVFWKACHETAS-QEORTHHSSA-N	1	0	353.413	1.894	20	30		FDEDRO
C=CCCCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1	ZINC000419047978	680179069	/nfs/dbraw/zinc/17/90/69/680179069.db2.gz	ZAEBJZLAZLHEHV-BBRMVZONSA-N	1	0	351.397	1.609	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)c1ccc(F)c(F)c1	ZINC000419676939	680316945	/nfs/dbraw/zinc/31/69/45/680316945.db2.gz	MFLGXBJAQRJQBO-CJNGLKHVSA-N	1	0	351.397	1.957	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)c1	ZINC000420443520	680453982	/nfs/dbraw/zinc/45/39/82/680453982.db2.gz	LLZMFHQEGNPNPQ-OAHLLOKOSA-N	1	0	351.472	1.413	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N[C@@H](CC[NH3+])C(F)F)ccc1C(F)(F)F	ZINC000420465930	680466198	/nfs/dbraw/zinc/46/61/98/680466198.db2.gz	QYKYTXMIOOYOOR-JTQLQIEISA-N	1	0	357.304	1.838	20	30		FDEDRO
C[C@H]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)C[C@@H]1C[NH3+]	ZINC000420473094	680467042	/nfs/dbraw/zinc/46/70/42/680467042.db2.gz	CTVGUGPRRZHKGE-QWRGUYRKSA-N	1	0	372.288	1.926	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNC(=O)NCc2ccc(C#N)s2)ccn1	ZINC000420821967	680559811	/nfs/dbraw/zinc/55/98/11/680559811.db2.gz	SEBVXRCQBBFBDJ-UHFFFAOYSA-N	1	0	359.455	1.955	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1	ZINC000425208707	680885063	/nfs/dbraw/zinc/88/50/63/680885063.db2.gz	STLWRONURPEHHK-BPQIPLTHSA-N	1	0	362.499	1.671	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1	ZINC000430398528	681075387	/nfs/dbraw/zinc/07/53/87/681075387.db2.gz	DCIOBYUPPADYLY-HZMVEIRTSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c1	ZINC000440416627	681996798	/nfs/dbraw/zinc/99/67/98/681996798.db2.gz	ARLBOOLXAWAMRD-ZFWWWQNUSA-N	1	0	351.472	1.350	20	30		FDEDRO
C[N@@H+]1CCN(CCNS(=O)(=O)c2cc(C#N)ccc2Cl)CC1(C)C	ZINC000443080004	682229739	/nfs/dbraw/zinc/22/97/39/682229739.db2.gz	KZTYTXDHCKZIHM-UHFFFAOYSA-N	1	0	370.906	1.516	20	30		FDEDRO
CCC[C@@]1(CO)CCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000444777502	682427696	/nfs/dbraw/zinc/42/76/96/682427696.db2.gz	POELKNUCPZRQLI-MJGOQNOKSA-N	1	0	350.507	1.306	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CNC(=O)COc1cccc(Br)c1C#N	ZINC000449825932	682715669	/nfs/dbraw/zinc/71/56/69/682715669.db2.gz	QMOPSGULFOFFRQ-NSHDSACASA-N	1	0	352.232	1.910	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1	ZINC000450902647	682788838	/nfs/dbraw/zinc/78/88/38/682788838.db2.gz	KFCOIJIOQMNFJE-CVEARBPZSA-N	1	0	367.471	1.056	20	30		FDEDRO
C[C@H]1C[C@]1(C#N)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1	ZINC000450903561	682789083	/nfs/dbraw/zinc/78/90/83/682789083.db2.gz	ATXCQFDXPRMQGS-BLLLJJGKSA-N	1	0	350.444	1.015	20	30		FDEDRO
N#CCC1(CS(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1	ZINC000451326486	682861859	/nfs/dbraw/zinc/86/18/59/682861859.db2.gz	DJNYZENICQTKLZ-HZPDHXFCSA-N	1	0	355.504	1.368	20	30		FDEDRO
C[C@@H]([N@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C(C)(C)O	ZINC000451374680	682873123	/nfs/dbraw/zinc/87/31/23/682873123.db2.gz	UEWVZPQUKIOQDD-HUUCEWRRSA-N	1	0	364.515	1.548	20	30		FDEDRO
C[N@H+]1C[C@H]2CN(C(=O)COc3ccc(C#N)c(Br)c3)C[C@H]2C1	ZINC000451467076	682885847	/nfs/dbraw/zinc/88/58/47/682885847.db2.gz	RXLUBDMFZRWKND-BETUJISGSA-N	1	0	364.243	1.720	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1	ZINC000451498843	682889642	/nfs/dbraw/zinc/88/96/42/682889642.db2.gz	NWCHHZRGNICLIP-UHFFFAOYSA-N	1	0	350.444	1.236	20	30		FDEDRO
CC(C)(C[NH+]1CCCC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000452085714	683020981	/nfs/dbraw/zinc/02/09/81/683020981.db2.gz	OJGUBMUNUQXGPX-UHFFFAOYSA-N	1	0	352.416	1.619	20	30		FDEDRO
N#Cc1cccc(C(=O)NC[C@H]2CCCC[N@H+]2CCO)c1Br	ZINC000452372224	683062171	/nfs/dbraw/zinc/06/21/71/683062171.db2.gz	IWPVFHAADKBMPS-CYBMUJFWSA-N	1	0	366.259	1.897	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2CCO)cc1Cl	ZINC000452793822	683120016	/nfs/dbraw/zinc/12/00/16/683120016.db2.gz	HZMZXTDBAIQJEL-CQSZACIVSA-N	1	0	364.833	1.113	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)Nc2cnc(C#N)c(Cl)c2)CC1(C)C	ZINC000455752281	683495197	/nfs/dbraw/zinc/49/51/97/683495197.db2.gz	BSPNLQNGIKNYNY-UHFFFAOYSA-N	1	0	350.854	1.754	20	30		FDEDRO
CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@H](C#N)C2)c1	ZINC000463291523	684682258	/nfs/dbraw/zinc/68/22/58/684682258.db2.gz	XFNZRWMDQCBKIR-IHRRRGAJSA-N	1	0	364.471	1.594	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](N[C@H](C)C(=O)NC2(C#N)CCC2)[C@@H](C)C1	ZINC000469793323	684986425	/nfs/dbraw/zinc/98/64/25/684986425.db2.gz	CXOWDEPZVBZNLX-BBWFWOEESA-N	1	0	350.507	1.664	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccs1	ZINC000470819494	685076104	/nfs/dbraw/zinc/07/61/04/685076104.db2.gz	HCTKIHHIGVNBJK-GJZGRUSLSA-N	1	0	367.494	1.749	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1	ZINC000487740098	686999433	/nfs/dbraw/zinc/99/94/33/686999433.db2.gz	DAIFNJRQWLKVMS-INIZCTEOSA-N	1	0	351.491	1.418	20	30		FDEDRO
COC(=O)CC1([NH2+]Cc2ccc(C#N)c(C)c2)CCS(=O)(=O)CC1	ZINC000488971109	687070593	/nfs/dbraw/zinc/07/05/93/687070593.db2.gz	RWHTWZCOBQJAOW-UHFFFAOYSA-N	1	0	350.440	1.467	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000500419239	688076403	/nfs/dbraw/zinc/07/64/03/688076403.db2.gz	GNVIUIKQEMTZEA-UHFFFAOYSA-N	1	0	362.430	1.845	20	30		FDEDRO
CC(C)C[N@H+](Cc1ccc(C#N)cc1)CC1(O)CCS(=O)(=O)CC1	ZINC000502694909	688290909	/nfs/dbraw/zinc/29/09/09/688290909.db2.gz	UEQDEWCXRQLAAK-UHFFFAOYSA-N	1	0	350.484	1.956	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C	ZINC000506349272	688562921	/nfs/dbraw/zinc/56/29/21/688562921.db2.gz	ZDBBWMOWSKCZQL-KDOFPFPSSA-N	1	0	352.479	1.000	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1	ZINC000510953684	689442202	/nfs/dbraw/zinc/44/22/02/689442202.db2.gz	RJEMIKXPOYVDEY-STQMWFEESA-N	1	0	362.396	1.528	20	30		FDEDRO
CC(C)(C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)N1CCOCC1	ZINC000514768311	689763272	/nfs/dbraw/zinc/76/32/72/689763272.db2.gz	OLUZXOUKSILWSA-UHFFFAOYSA-N	1	0	351.472	1.032	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCCN(c2ccccc2Cl)C1=O	ZINC000519535258	690217513	/nfs/dbraw/zinc/21/75/13/690217513.db2.gz	HBVRZJVAJBGJFB-ZBFHGGJFSA-N	1	0	364.877	1.631	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCCCS1(=O)=O	ZINC000519819329	690275481	/nfs/dbraw/zinc/27/54/81/690275481.db2.gz	CITXQHXKTCGWBG-DLBZAZTESA-N	1	0	353.484	1.712	20	30		FDEDRO
CC(C)C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CCO1	ZINC000521865095	694442358	/nfs/dbraw/zinc/44/23/58/694442358.db2.gz	PGLMMQGBCQQUAX-HZPDHXFCSA-N	1	0	351.472	1.910	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1	ZINC000525619716	694631182	/nfs/dbraw/zinc/63/11/82/694631182.db2.gz	ZXGGHZRZAOVCED-HIFRSBDPSA-N	1	0	351.472	1.363	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2F)C[C@H]1[NH+]1CCCC1	ZINC000525836335	694637363	/nfs/dbraw/zinc/63/73/63/694637363.db2.gz	GECFIRBYEDPIGZ-HUUCEWRRSA-N	1	0	369.487	1.898	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CCOCC(F)(F)C(F)(F)F	ZINC000527048495	694651207	/nfs/dbraw/zinc/65/12/07/694651207.db2.gz	LXKGYFFQPOZYNH-UHFFFAOYSA-N	1	0	355.311	1.942	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1	ZINC000528404293	694715571	/nfs/dbraw/zinc/71/55/71/694715571.db2.gz	ICRCVVJKIACEAL-GOEBONIOSA-N	1	0	358.360	1.933	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000641417505	696094745	/nfs/dbraw/zinc/09/47/45/696094745.db2.gz	GBMFOVNUPITZFV-MRXNPFEDSA-N	1	0	365.499	1.309	20	30		FDEDRO
N#Cc1cc(-c2ccnc(Cl)n2)c(N2CCN3CC[NH2+]C[C@@H]3C2)cc1F	ZINC001164399185	718834563	/nfs/dbraw/zinc/83/45/63/718834563.db2.gz	QIOKJQZRKCGDCH-CYBMUJFWSA-N	1	0	372.835	1.902	20	30		FDEDRO
N#Cc1ccc(Oc2nc(Cl)ncc2N2CCN3CC[NH2+]C[C@H]3C2)cc1	ZINC001164400126	718843476	/nfs/dbraw/zinc/84/34/76/718843476.db2.gz	QJSDYMXMBMHHIE-AWEZNQCLSA-N	1	0	370.844	1.888	20	30		FDEDRO
CCOC(=O)c1cc(C#N)c(Cl)nc1N1C[C@H]2OCC[N@H+](C)[C@H]2C1	ZINC001164665170	719383571	/nfs/dbraw/zinc/38/35/71/719383571.db2.gz	FQRJGHAIBZVMEK-QWHCGFSZSA-N	1	0	350.806	1.303	20	30		FDEDRO
CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nccnc3C#N)CC[C@@H]21	ZINC001164834012	720509644	/nfs/dbraw/zinc/50/96/44/720509644.db2.gz	FDJPJDTUEHPUIV-RYRKJORJSA-N	1	0	351.458	1.923	20	30		FDEDRO
N#Cc1cc(Cl)nnc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1	ZINC001164733022	720556133	/nfs/dbraw/zinc/55/61/33/720556133.db2.gz	IBWXANYJLUAJAT-UHFFFAOYSA-N	1	0	357.849	1.857	20	30		FDEDRO
N#Cc1cc(F)c(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164740917	720609607	/nfs/dbraw/zinc/60/96/07/720609607.db2.gz	KJEVSCOUOPRSED-OLZOCXBDSA-N	1	0	374.807	1.878	20	30		FDEDRO
N#Cc1nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)ccc1Cl	ZINC001164743008	720626360	/nfs/dbraw/zinc/62/63/60/720626360.db2.gz	NXXKFRHVKLXAEM-STQMWFEESA-N	1	0	356.817	1.739	20	30		FDEDRO
Cc1cnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c(C=NO)c1	ZINC001164742921	720741627	/nfs/dbraw/zinc/74/16/27/720741627.db2.gz	PJJRFMZZRFEBID-JKSUJKDBSA-N	1	0	354.414	1.330	20	30		FDEDRO
Cc1ccc(CC#N)c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1	ZINC001164740958	720772234	/nfs/dbraw/zinc/77/22/34/720772234.db2.gz	LSYQRBLLLKWBFZ-DLBZAZTESA-N	1	0	350.426	1.588	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4[nH]cc(C#N)c43)CC[C@@H]2C1	ZINC001164847907	720832062	/nfs/dbraw/zinc/83/20/62/720832062.db2.gz	KVFFBFIRRHSIOB-HIFRSBDPSA-N	1	0	356.430	1.003	20	30		FDEDRO
N#Cc1cnc(Cl)nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164871455	721063830	/nfs/dbraw/zinc/06/38/30/721063830.db2.gz	YXRPKLHBRGHZFX-CVEARBPZSA-N	1	0	370.844	1.876	20	30		FDEDRO
COc1nc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)ncc1C#N	ZINC001164773075	721095820	/nfs/dbraw/zinc/09/58/20/721095820.db2.gz	WAJAOTJHYTUSNG-ZBFHGGJFSA-N	1	0	353.430	1.049	20	30		FDEDRO
Cc1nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)cnc1C#N	ZINC001164871044	721127090	/nfs/dbraw/zinc/12/70/90/721127090.db2.gz	DBAVMVZFOSDCOT-IRXDYDNUSA-N	1	0	350.426	1.531	20	30		FDEDRO
Cc1cnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(C#N)n1	ZINC001164879814	721130918	/nfs/dbraw/zinc/13/09/18/721130918.db2.gz	UHIXXRNEUDGICY-IRXDYDNUSA-N	1	0	350.426	1.531	20	30		FDEDRO
Cc1nc(C#N)cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1	ZINC001164866493	721186188	/nfs/dbraw/zinc/18/61/88/721186188.db2.gz	BKTLPVOLDPRGMI-QZTJIDSGSA-N	1	0	350.426	1.531	20	30		FDEDRO
Cc1nc(C#N)cnc1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2	ZINC001164897394	721428287	/nfs/dbraw/zinc/42/82/87/721428287.db2.gz	TXGYAAWNRCLXOI-UYAOXDASSA-N	1	0	370.501	1.422	20	30		FDEDRO
COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC[C@@H]([NH+](C)C)C1	ZINC001165034331	721896264	/nfs/dbraw/zinc/89/62/64/721896264.db2.gz	CKPLGRMOGUKGGJ-KGLIPLIRSA-N	1	0	353.426	1.940	20	30		FDEDRO
CCOC(=O)c1cc(C)nc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c1C#N	ZINC001164967640	722070154	/nfs/dbraw/zinc/07/01/54/722070154.db2.gz	SLAXPRMNIBQKCT-IYBDPMFKSA-N	1	0	370.453	1.738	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CCCC(=O)N2)C[C@H]1C	ZINC001104404284	782214218	/nfs/dbraw/zinc/21/42/18/782214218.db2.gz	FZCCGMJKYLCSHW-ZACQAIPSSA-N	1	0	351.491	1.322	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3nc4cc[nH]cc-4n3)[C@H]2C1	ZINC001083243267	782367998	/nfs/dbraw/zinc/36/79/98/782367998.db2.gz	SRSUTVXJLQBKLS-DLBZAZTESA-N	1	0	355.442	1.378	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](c2ccccc2)[C@@H](CO)C1	ZINC000375685263	782424103	/nfs/dbraw/zinc/42/41/03/782424103.db2.gz	OLDJGSWUGBWSIM-MOPGFXCFSA-N	1	0	354.454	1.740	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21	ZINC001022717826	782571158	/nfs/dbraw/zinc/57/11/58/782571158.db2.gz	LURCQFILSWMIMA-GRDNDAEWSA-N	1	0	355.442	1.044	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)Cc2ccc3n[nH]cc3c2)C[C@H]1C	ZINC001104411023	782595448	/nfs/dbraw/zinc/59/54/48/782595448.db2.gz	MPXSNVCIPWNVHQ-SJLPKXTDSA-N	1	0	368.481	1.829	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC000969125923	768910521	/nfs/dbraw/zinc/91/05/21/768910521.db2.gz	DYBUSNCNHKBVRO-ZJPYXAASSA-N	1	0	370.497	1.830	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCCCS1(=O)=O)C2	ZINC001112470550	769148421	/nfs/dbraw/zinc/14/84/21/769148421.db2.gz	MZLCMIIYVUOHTQ-WMZOPIPTSA-N	1	0	369.531	1.206	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)cc1	ZINC000934444304	782727008	/nfs/dbraw/zinc/72/70/08/782727008.db2.gz	WVQOZPZKRMWHNG-SVFBPWRDSA-N	1	0	352.434	1.833	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@]3(C)c3ccccc3)C2)C1=O	ZINC001020411890	769277610	/nfs/dbraw/zinc/27/76/10/769277610.db2.gz	GOZOZXUFTQOJBK-ZLGIVVLRSA-N	1	0	367.493	1.988	20	30		FDEDRO
C=CCCOCC[NH2+]Cc1cn(C)nc1CN1C(=O)c2ccccc2C1=O	ZINC000657418806	782741166	/nfs/dbraw/zinc/74/11/66/782741166.db2.gz	LGVQSNRTIONQBI-UHFFFAOYSA-N	1	0	368.437	1.899	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](NC(=O)c2cc3n(c2)CCCC3)C1	ZINC001211497263	769901568	/nfs/dbraw/zinc/90/15/68/769901568.db2.gz	DJABZIWAQXFMAH-RVKKMQEKSA-N	1	0	358.486	1.565	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)CC[C@]1(C)CCC(=O)N1	ZINC001211499054	769946898	/nfs/dbraw/zinc/94/68/98/769946898.db2.gz	IXXLAIAZACCVAY-FQELHTAISA-N	1	0	368.481	1.944	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccnc4c3ncn4C)[C@H]2C1	ZINC001083188112	769980980	/nfs/dbraw/zinc/98/09/80/769980980.db2.gz	DWNCCVJLCFZBAO-JKSUJKDBSA-N	1	0	355.442	1.460	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccccc3)C2=O)C1	ZINC001022736819	782797610	/nfs/dbraw/zinc/79/76/10/782797610.db2.gz	DNIJHDSULFEYNJ-PHAGKYIGSA-N	1	0	369.465	1.620	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)N2CCCCCC2)C1	ZINC001022737309	782800752	/nfs/dbraw/zinc/80/07/52/782800752.db2.gz	TXHCIPZWRKEIKM-AVEIZBFRSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NC)cc2)C1	ZINC001022736070	782802258	/nfs/dbraw/zinc/80/22/58/782802258.db2.gz	LKBUGKITVBWMPR-XDNAFOTISA-N	1	0	357.454	1.374	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2COc3ccccc3O2)C1	ZINC001022737369	782808324	/nfs/dbraw/zinc/80/83/24/782808324.db2.gz	WQBPMFDNARKQOL-JJTUDDRGSA-N	1	0	358.438	1.654	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)CC(F)(F)F)C[C@H]1C	ZINC001104227355	770507067	/nfs/dbraw/zinc/50/70/67/770507067.db2.gz	UUONHVIIAMGWEH-MGPQQGTHSA-N	1	0	361.408	1.541	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](N[C@@H](C)c2nc(COC)no2)C1	ZINC001020604904	770983000	/nfs/dbraw/zinc/98/30/00/770983000.db2.gz	TVAVIIQPTZDEJE-YHQUGGNUSA-N	1	0	350.419	1.105	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ncnn2CC(C)C)C1	ZINC001020726156	771302686	/nfs/dbraw/zinc/30/26/86/771302686.db2.gz	BVIYTYBZULOUEI-OVWQWFNUSA-N	1	0	361.490	1.652	20	30		FDEDRO
CC(C)C[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1	ZINC000328649139	771462384	/nfs/dbraw/zinc/46/23/84/771462384.db2.gz	INNUEZPQNAUQTL-QGZVFWFLSA-N	1	0	366.506	1.344	20	30		FDEDRO
C[C@]1(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CC1(Br)Br	ZINC000852874640	967681194	/nfs/dbraw/zinc/68/11/94/967681194.db2.gz	BSVFLJAKLJCVNX-ACLDMZEESA-N	1	0	351.042	1.110	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCNC(C)=O)C1	ZINC001104239692	771606489	/nfs/dbraw/zinc/60/64/89/771606489.db2.gz	LDZBUAGCCNBMLI-SJLPKXTDSA-N	1	0	367.534	1.816	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1CC[NH2+]CC#Cc1ccccc1	ZINC001104241269	771644788	/nfs/dbraw/zinc/64/47/88/771644788.db2.gz	ULEXCHBMUJBGEO-IEBWSBKVSA-N	1	0	351.454	1.404	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnc3cc[nH]cc-3c2=O)C[C@H]1C	ZINC001104245501	771768311	/nfs/dbraw/zinc/76/83/11/771768311.db2.gz	LOGLQPRCPWZWTM-HUUCEWRRSA-N	1	0	352.438	1.634	20	30		FDEDRO
CN(CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)CC1([NH+](C)C)CCC1	ZINC000275385591	771769572	/nfs/dbraw/zinc/76/95/72/771769572.db2.gz	FJQNELMHVZTXHO-HNNXBMFYSA-N	1	0	367.453	1.928	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)CCc2cnn(C)c2C)C[C@H]1C	ZINC001104246779	771804774	/nfs/dbraw/zinc/80/47/74/771804774.db2.gz	FTYGBJUZHASOLK-VQIMIIECSA-N	1	0	360.502	1.385	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)N[C@@H](C)C(C)C)CC1	ZINC001167273852	771848236	/nfs/dbraw/zinc/84/82/36/771848236.db2.gz	FICCZQGFUCDXLO-BBWFWOEESA-N	1	0	365.518	1.614	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)N[C@@H](C)CCC)CC1	ZINC001167277075	771854909	/nfs/dbraw/zinc/85/49/09/771854909.db2.gz	ADVDUAANTYFATR-BBWFWOEESA-N	1	0	365.518	1.758	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]CCc2cnn(CC)c2)CC1	ZINC001167277959	771857568	/nfs/dbraw/zinc/85/75/68/771857568.db2.gz	ZYEPLHVRYYRBTG-MSOLQXFVSA-N	1	0	360.502	1.913	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1	ZINC000430418025	771884311	/nfs/dbraw/zinc/88/43/11/771884311.db2.gz	NQEQMVNECLUZMF-ZWKOTPCHSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C[C@@H]2O)C1	ZINC000970378159	772498788	/nfs/dbraw/zinc/49/87/88/772498788.db2.gz	OFMQIWKIOFJKLB-ZACQAIPSSA-N	1	0	363.502	1.153	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CCCNC(=O)C2CC2)C[C@H]1C	ZINC001104262921	772568107	/nfs/dbraw/zinc/56/81/07/772568107.db2.gz	UEEDCWNOMVUZEU-SJLPKXTDSA-N	1	0	365.518	1.570	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C)c(C)cn1)C2	ZINC001112484241	772589143	/nfs/dbraw/zinc/58/91/43/772589143.db2.gz	DNTCZHQVNDJDOB-UWJYYQICSA-N	1	0	370.497	1.833	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)C2(COC)CCOCC2)C[C@H]1C	ZINC001104268073	772643493	/nfs/dbraw/zinc/64/34/93/772643493.db2.gz	SDWFTRIKAOIUQA-QZTJIDSGSA-N	1	0	368.518	1.706	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnc(C)nc2OC)C[C@H]1C	ZINC001104270928	772672464	/nfs/dbraw/zinc/67/24/64/772672464.db2.gz	YWZSMPAICXTGSS-GDBMZVCRSA-N	1	0	360.458	1.131	20	30		FDEDRO
Cc1ccccc1C=c1sc(=C(C#N)C#N)n(C2CC[NH+](C)CC2)c1=O	ZINC000255110620	772697188	/nfs/dbraw/zinc/69/71/88/772697188.db2.gz	QAXIBKYWCYMIHV-UHFFFAOYSA-N	1	0	364.474	1.512	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H]3CCCN(C)C3=O)C2)CCC1	ZINC001104279529	772754964	/nfs/dbraw/zinc/75/49/64/772754964.db2.gz	CZSJQDHYPJFCKY-KURKYZTESA-N	1	0	359.514	1.875	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]C[C@@H](C)OC)C2)CCOCC1	ZINC001104279699	772755694	/nfs/dbraw/zinc/75/56/94/772755694.db2.gz	LWXFLLHVWYAMRD-KZNAEPCWSA-N	1	0	350.503	1.916	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]cn4)C[C@H]32)c1	ZINC001021326435	772917088	/nfs/dbraw/zinc/91/70/88/772917088.db2.gz	XZQOEFOXBBIWPG-ZOMKSWQUSA-N	1	0	364.409	1.086	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCc3nc(C)nn3C1)C2	ZINC001112486183	772938908	/nfs/dbraw/zinc/93/89/08/772938908.db2.gz	DCHRXSLIAXDPGT-ZWOKBUDYSA-N	1	0	357.502	1.943	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3cc[nH]c3C)[C@@H]2C1	ZINC001021339803	772974107	/nfs/dbraw/zinc/97/41/07/772974107.db2.gz	GUSFZXVVYTWIOO-RYQLBKOJSA-N	1	0	354.454	1.094	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccc(CNC(=O)N[C@@H]3CCCNC3=O)cc2)CC1	ZINC000328675385	772988838	/nfs/dbraw/zinc/98/88/38/772988838.db2.gz	KOZFYIJUGXUISF-GOSISDBHSA-N	1	0	373.501	1.947	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCC1	ZINC001021407271	773218256	/nfs/dbraw/zinc/21/82/56/773218256.db2.gz	KYMZKHJBUHEAJJ-ZAXTYVKMSA-N	1	0	361.486	1.312	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@](F)(CO)C3)cn2)CC1	ZINC000328684442	773269606	/nfs/dbraw/zinc/26/96/06/773269606.db2.gz	FAOQUEIOLHZUPH-GOSISDBHSA-N	1	0	365.453	1.044	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](C(=O)NCC#C[C@@H]2CCCCO2)[C@@H](c2cnn(C)c2)C1	ZINC000891113089	773291680	/nfs/dbraw/zinc/29/16/80/773291680.db2.gz	SVRBPOLZXKBPIL-SLFFLAALSA-N	1	0	372.513	1.923	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000656026341	773314915	/nfs/dbraw/zinc/31/49/15/773314915.db2.gz	FCWSEHUTVTUHNP-ULQDDVLXSA-N	1	0	351.491	1.594	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)cc1	ZINC000785004314	773711527	/nfs/dbraw/zinc/71/15/27/773711527.db2.gz	JIMIZWRLHNHMKD-UHFFFAOYSA-N	1	0	355.438	1.724	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nncn2C)C1	ZINC001104293996	773877324	/nfs/dbraw/zinc/87/73/24/773877324.db2.gz	PFQWLPGPDXIJKE-HZPDHXFCSA-N	1	0	356.474	1.691	20	30		FDEDRO
COCC[N@H+](C)CCOc1cccc(CNC(=O)c2cc(C#N)c[nH]2)c1	ZINC000479648184	783133701	/nfs/dbraw/zinc/13/37/01/783133701.db2.gz	JMTSAWWXBYLBMY-UHFFFAOYSA-N	1	0	356.426	1.773	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2COCCO2)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087124495	773933502	/nfs/dbraw/zinc/93/35/02/773933502.db2.gz	CVMIDKSWOQMYPM-AYOQOUSVSA-N	1	0	357.454	1.690	20	30		FDEDRO
CCOC(=O)c1ccccc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000275859970	774156067	/nfs/dbraw/zinc/15/60/67/774156067.db2.gz	MCVNCMGTFWNMEL-UHFFFAOYSA-N	1	0	374.441	1.496	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC)C1	ZINC001112496334	774330706	/nfs/dbraw/zinc/33/07/06/774330706.db2.gz	RIFNFHJYEYEGOA-SNRMKQJTSA-N	1	0	351.491	1.180	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1	ZINC000275886429	774356550	/nfs/dbraw/zinc/35/65/50/774356550.db2.gz	LXUBEZCAKOSICR-ROUUACIJSA-N	1	0	355.438	1.100	20	30		FDEDRO
C[C@@H]1CCN(C(=O)CS(C)(=O)=O)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087130232	774427129	/nfs/dbraw/zinc/42/71/29/774427129.db2.gz	FUZXPVMAJXSORD-PBHICJAKSA-N	1	0	363.483	1.320	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1	ZINC001104307567	774457363	/nfs/dbraw/zinc/45/73/63/774457363.db2.gz	ASEPVGXBEVHZAP-GJJHYRHESA-N	1	0	371.481	1.936	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@]2(CC)CCNC2=O)C[C@H]1C	ZINC001104312842	774598483	/nfs/dbraw/zinc/59/84/83/774598483.db2.gz	VGDSZFNBFBACJP-GPMSIDNRSA-N	1	0	351.491	1.180	20	30		FDEDRO
C=CCn1c(N2CC[N@H+](C)[C@H](C(C)C)C2)nnc1[C@]1(OCC)CCOC1	ZINC000643697179	774623707	/nfs/dbraw/zinc/62/37/07/774623707.db2.gz	MKLNZSBICBNRGL-LPHOPBHVSA-N	1	0	363.506	1.893	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC(N)=O	ZINC001087138358	774800484	/nfs/dbraw/zinc/80/04/84/774800484.db2.gz	JGCJRZRFIJTOSB-CJNGLKHVSA-N	1	0	358.442	1.159	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1(C[NH2+][C@@H](C)c2nnnn2C)CC1	ZINC001167434969	774823340	/nfs/dbraw/zinc/82/33/40/774823340.db2.gz	BFMWUTNSRBUEGP-KKUMJFAQSA-N	1	0	362.478	1.128	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CC=CCC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1	ZINC000261667706	774838452	/nfs/dbraw/zinc/83/84/52/774838452.db2.gz	BRIVWWZHRZLFIG-AUUYWEPGSA-N	1	0	361.490	1.618	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1(C[NH2+][C@@H](C)C(=O)N(C)C)CC1	ZINC001167435232	774842384	/nfs/dbraw/zinc/84/23/84/774842384.db2.gz	OHRQZTWYUSGJGY-JYJNAYRXSA-N	1	0	351.491	1.320	20	30		FDEDRO
[NH2+]=C(NC[C@H]1CCCO1)NCC1(c2ccc3c(c2)OCO3)CCOCC1	ZINC000261716781	774885995	/nfs/dbraw/zinc/88/59/95/774885995.db2.gz	FJGWDBIGBASBCT-OAHLLOKOSA-N	1	0	361.442	1.547	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cc(C#N)c[nH]2)nn1	ZINC001087143807	775207393	/nfs/dbraw/zinc/20/73/93/775207393.db2.gz	NMIIZLPHXKIXTD-CJNGLKHVSA-N	1	0	368.441	1.715	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)c4ccc(C)o4)[C@@H]3C2)CC1	ZINC000971218972	775347505	/nfs/dbraw/zinc/34/75/05/775347505.db2.gz	JYIGHMJAGIUHFW-QZTJIDSGSA-N	1	0	369.465	1.606	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3nc[nH]c3n2)C[C@H]1C	ZINC001104340834	775860288	/nfs/dbraw/zinc/86/02/88/775860288.db2.gz	ZPGUMPSDLGLEEZ-HUUCEWRRSA-N	1	0	357.458	1.848	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3cccn(CC(C)C)c3=O)[C@H]2C1	ZINC001083216081	775935017	/nfs/dbraw/zinc/93/50/17/775935017.db2.gz	HFFLEHSKKQYSEG-ZWKOTPCHSA-N	1	0	359.470	1.606	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cccn(CC(C)C)c3=O)[C@H]2C1	ZINC001083216123	775937732	/nfs/dbraw/zinc/93/77/32/775937732.db2.gz	JKZDTNDUXCUVRG-ZWKOTPCHSA-N	1	0	357.454	1.053	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2ccc(C#N)[nH]2)C1=O	ZINC001087151050	775994705	/nfs/dbraw/zinc/99/47/05/775994705.db2.gz	UXOHPLDGOXKZCY-HYVNUMGLSA-N	1	0	369.469	1.504	20	30		FDEDRO
CC(C)N1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2ccc(C#N)[nH]2)C1=O	ZINC001087151019	775994861	/nfs/dbraw/zinc/99/48/61/775994861.db2.gz	UEAMRFAQGTVNJQ-HYVNUMGLSA-N	1	0	371.485	1.726	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1	ZINC000276160858	776174603	/nfs/dbraw/zinc/17/46/03/776174603.db2.gz	RTVZELUBWTVDNW-CYBMUJFWSA-N	1	0	356.426	1.662	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@H]1C	ZINC001104349170	776339545	/nfs/dbraw/zinc/33/95/45/776339545.db2.gz	HUBMPPZVFSFGKZ-HUUCEWRRSA-N	1	0	354.516	1.462	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCOCC)C1	ZINC001104731772	790436015	/nfs/dbraw/zinc/43/60/15/790436015.db2.gz	WRZCKQJBYLBSRD-IAGOWNOFSA-N	1	0	367.534	1.816	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C(C)(C)CC)C[C@H]32)CC1	ZINC001021883517	776484290	/nfs/dbraw/zinc/48/42/90/776484290.db2.gz	GYWQTXVXBWWFRA-ZWKOTPCHSA-N	1	0	359.514	1.827	20	30		FDEDRO
C#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)CC(F)F)C1	ZINC001111776082	790456256	/nfs/dbraw/zinc/45/62/56/790456256.db2.gz	NSZQOPOAXHQRCE-GLJUWKHASA-N	1	0	355.429	1.388	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H](C)SC)[C@@H]3C2)CC1	ZINC000971418134	776536362	/nfs/dbraw/zinc/53/63/62/776536362.db2.gz	CLDCLACUMLPTAI-DJIMGWMZSA-N	1	0	363.527	1.142	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)C1	ZINC001021901021	776561451	/nfs/dbraw/zinc/56/14/51/776561451.db2.gz	SGQFGWNQUCEGLJ-IPMKNSEASA-N	1	0	357.498	1.437	20	30		FDEDRO
C=CCn1cc(C(=O)N2CCO[C@@H]3C[N@H+](CC4CCCCC4)C[C@@H]32)nn1	ZINC001083217494	776573176	/nfs/dbraw/zinc/57/31/76/776573176.db2.gz	BKRHBQCBASLMCS-ZWKOTPCHSA-N	1	0	359.474	1.570	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cc1	ZINC000892714539	790488662	/nfs/dbraw/zinc/48/86/62/790488662.db2.gz	QGUMHQACJYLOAC-ROUUACIJSA-N	1	0	358.442	1.330	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)[C@H]2C1	ZINC000892712993	790493603	/nfs/dbraw/zinc/49/36/03/790493603.db2.gz	RRWSYHDREKKPRF-WBVHZDCISA-N	1	0	354.458	1.268	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(F)F)C[C@H]1c1ccccc1	ZINC001211514984	776936758	/nfs/dbraw/zinc/93/67/58/776936758.db2.gz	ITAYBJCMKHVBLU-CWRNSKLLSA-N	1	0	365.424	1.917	20	30		FDEDRO
C[C@@H]1CCN(C(=O)CCn2ccnn2)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087155900	777056498	/nfs/dbraw/zinc/05/64/98/777056498.db2.gz	LZLXJZSJFSYTDB-APWZRJJASA-N	1	0	366.469	1.957	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2ncn(C)n2)C1	ZINC001075421210	777066416	/nfs/dbraw/zinc/06/64/16/777066416.db2.gz	SDXHVKNVJLTAFC-SJLPKXTDSA-N	1	0	369.444	1.813	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC)C2)cc1	ZINC001104360639	777275935	/nfs/dbraw/zinc/27/59/35/777275935.db2.gz	RTYDMESFYQGIMA-NVXWUHKLSA-N	1	0	359.470	1.685	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2ccc(F)cn2)C[C@H]1C	ZINC001104361653	777349487	/nfs/dbraw/zinc/34/94/87/777349487.db2.gz	SJEXKCBWCRBOFW-HUUCEWRRSA-N	1	0	362.449	1.140	20	30		FDEDRO
C=CCNC(=O)CN1CC[NH+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1	ZINC000659809459	790568591	/nfs/dbraw/zinc/56/85/91/790568591.db2.gz	FCAVURQIHIJDKV-QGZVFWFLSA-N	1	0	364.534	1.191	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C1	ZINC001022101723	777930306	/nfs/dbraw/zinc/93/03/06/777930306.db2.gz	QHIOPHWTMUMPDW-ILMPWQCYSA-N	1	0	361.486	1.358	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc(C)c4ccccc43)[C@H]2C1	ZINC001083221908	777988936	/nfs/dbraw/zinc/98/89/36/777988936.db2.gz	XKWAGCZRZCNATB-VQTJNVASSA-N	1	0	351.450	1.885	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)CC4CCC4)[C@@H]3C2)CC1	ZINC000971667322	778582359	/nfs/dbraw/zinc/58/23/59/778582359.db2.gz	BFRLYFHULJPZFK-RTBURBONSA-N	1	0	357.498	1.581	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnc3c(c1)ncn3C)C2	ZINC001112506908	778705599	/nfs/dbraw/zinc/70/55/99/778705599.db2.gz	LJNKMLUIXPLOQR-JXFKEZNVSA-N	1	0	351.454	1.824	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cnnn1C	ZINC001087167913	778929837	/nfs/dbraw/zinc/92/98/37/778929837.db2.gz	IQSPAJUYHFCRCJ-ATLSCFEFSA-N	1	0	361.490	1.513	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)COCC)C[C@H]1c1ccccc1	ZINC001211522216	778962687	/nfs/dbraw/zinc/96/26/87/778962687.db2.gz	HUYTZSSZJRLQAK-BPQIPLTHSA-N	1	0	359.470	1.298	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)C(=C)C)C2	ZINC001112507627	778993039	/nfs/dbraw/zinc/99/30/39/778993039.db2.gz	SEXPCHWPGVWVPX-FIKGOQFSSA-N	1	0	359.514	1.945	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)CCc4ncc[nH]4)C[C@H]32)cn1	ZINC001022292927	779173802	/nfs/dbraw/zinc/17/38/02/779173802.db2.gz	INPHARPHMWXSRB-DOTOQJQBSA-N	1	0	363.421	1.092	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)C[N@@H+](C)C4CCC4)C[C@H]32)cn1	ZINC001022294718	779196474	/nfs/dbraw/zinc/19/64/74/779196474.db2.gz	SNZSFPSROCFHBN-QFBILLFUSA-N	1	0	366.465	1.220	20	30		FDEDRO
Cc1nnnn1-c1cc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1F	ZINC000328898366	779299210	/nfs/dbraw/zinc/29/92/10/779299210.db2.gz	WPRIVZSGPVYORL-GJZGRUSLSA-N	1	0	359.409	1.872	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCC[C@@H]4[NH2+]CC[C@@H]43)C2=O)cc1	ZINC000891764725	779303626	/nfs/dbraw/zinc/30/36/26/779303626.db2.gz	LKVIMDKEWLVQSD-BZSNNMDCSA-N	1	0	367.453	1.590	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@H]32)cc1	ZINC001022330836	779394484	/nfs/dbraw/zinc/39/44/84/779394484.db2.gz	GDXNYQVMAUFQKA-IPMKNSEASA-N	1	0	351.450	1.435	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)CC[N@@H+]1C	ZINC000971851385	779986958	/nfs/dbraw/zinc/98/69/58/779986958.db2.gz	ORZVOBKMKVNUFY-AETAKHFUSA-N	1	0	369.469	1.290	20	30		FDEDRO
C[NH+]1CCN(C[C@@H](NC(=O)N2CCO[C@](C)(C#N)C2)c2ccccc2)CC1	ZINC000892720692	790776548	/nfs/dbraw/zinc/77/65/48/790776548.db2.gz	FAFGHCDXXKQTSL-UYAOXDASSA-N	1	0	371.485	1.299	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1c1ccccc1	ZINC001211527966	780266073	/nfs/dbraw/zinc/26/60/73/780266073.db2.gz	GDXMIBVFUUQQKJ-RBUKOAKNSA-N	1	0	352.438	1.117	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccoc2)C[C@H]1c1ccccc1	ZINC001211527903	780270411	/nfs/dbraw/zinc/27/04/11/780270411.db2.gz	FNKYQTAUDGGFHX-AYOQOUSVSA-N	1	0	365.433	1.615	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@]3(C)c3ccccc3)C2)C1=O	ZINC001022458454	780355631	/nfs/dbraw/zinc/35/56/31/780355631.db2.gz	GOZOZXUFTQOJBK-KKXBDNRESA-N	1	0	367.493	1.988	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(C(N)=O)cn2C)C[C@H]1C	ZINC001104390022	780648540	/nfs/dbraw/zinc/64/85/40/780648540.db2.gz	CBAXQBWGCLFYLH-DGCLKSJQSA-N	1	0	352.866	1.564	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cccnc1C#N	ZINC000277010295	780662540	/nfs/dbraw/zinc/66/25/40/780662540.db2.gz	LGWBLUHIQXCCMM-UHFFFAOYSA-N	1	0	369.450	1.577	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCc2cccnc2)C[C@H]1C	ZINC001104392197	780749495	/nfs/dbraw/zinc/74/94/95/780749495.db2.gz	NMEHBTATSZHXAH-ZIFCJYIRSA-N	1	0	370.497	1.226	20	30		FDEDRO
C[C@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000277173874	780983790	/nfs/dbraw/zinc/98/37/90/780983790.db2.gz	JJBWFCIIYSPIEL-RHSMWYFYSA-N	1	0	357.458	1.299	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1	ZINC001112508667	781008823	/nfs/dbraw/zinc/00/88/23/781008823.db2.gz	PWKUOSNVXYNORJ-ICSRJNTNSA-N	1	0	350.503	1.797	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cocc1C)C2	ZINC001112510316	781494345	/nfs/dbraw/zinc/49/43/45/781494345.db2.gz	HWUQOTYYIYVLRY-GUXCAODWSA-N	1	0	357.454	1.558	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1	ZINC000277388269	781658622	/nfs/dbraw/zinc/65/86/22/781658622.db2.gz	BTLTYIAQPBEHNO-INIZCTEOSA-N	1	0	373.428	1.909	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2ccc(C)cc2)C[C@H]1C	ZINC001104398693	781695432	/nfs/dbraw/zinc/69/54/32/781695432.db2.gz	XWLNFGUXGCIFST-QWFCFKBJSA-N	1	0	369.509	1.750	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1	ZINC000277433689	781880154	/nfs/dbraw/zinc/88/01/54/781880154.db2.gz	NDBZDOBEUKJEEG-KRWDZBQOSA-N	1	0	359.470	1.999	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@@H]3CN(Cc4ccccc4C#N)C[C@@H]32)C1	ZINC001083247807	783437059	/nfs/dbraw/zinc/43/70/59/783437059.db2.gz	GBBAESZWOIXFQV-LSTHTHJFSA-N	1	0	368.481	1.312	20	30		FDEDRO
C=CCn1c([C@@H]2CCO[C@H]2C)nnc1N1CC[NH+](C(C)(C)COC)CC1	ZINC000647375956	783779956	/nfs/dbraw/zinc/77/99/56/783779956.db2.gz	JPROTHIJCVXPBC-JKSUJKDBSA-N	1	0	363.506	1.904	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CC(C)(C)C3CC3)C[C@H]21	ZINC000972835100	783902521	/nfs/dbraw/zinc/90/25/21/783902521.db2.gz	NVNULRCSZCRZJZ-NZSAHSFTSA-N	1	0	371.525	1.970	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cnoc2CC)C[C@H]1C	ZINC001104742610	790986529	/nfs/dbraw/zinc/98/65/29/790986529.db2.gz	CXZYFJHDYFWSSQ-RBSFLKMASA-N	1	0	362.474	1.616	20	30		FDEDRO
N#Cc1cc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)ccc1F	ZINC001024158061	784034413	/nfs/dbraw/zinc/03/44/13/784034413.db2.gz	JSZGHHXRWYJOSE-IMJJTQAJSA-N	1	0	358.417	1.147	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@H]2O)C1	ZINC001025542193	790997923	/nfs/dbraw/zinc/99/79/23/790997923.db2.gz	MJAITKQWMNHEDR-BRWVUGGUSA-N	1	0	363.502	1.295	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@H]2CCS(=O)(=O)C2)C1	ZINC001112520561	784214584	/nfs/dbraw/zinc/21/45/84/784214584.db2.gz	KVGPDCJYCKRAOY-AOIWGVFYSA-N	1	0	368.543	1.996	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1	ZINC000658522395	784230583	/nfs/dbraw/zinc/23/05/83/784230583.db2.gz	OLNSQYSPFSKCIV-IRXDYDNUSA-N	1	0	351.491	1.370	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N3C4CCC3(C[NH3+])CC4)CC2)c1C#N	ZINC000892458519	784501745	/nfs/dbraw/zinc/50/17/45/784501745.db2.gz	ZSNFPDRUGOSHBK-UHFFFAOYSA-N	1	0	360.487	1.521	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1c1ccccc1	ZINC001211631394	784772121	/nfs/dbraw/zinc/77/21/21/784772121.db2.gz	DXAVYPBJUJDDPK-JKSUJKDBSA-N	1	0	351.406	1.600	20	30		FDEDRO
CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCO[C@H]1c1cnn(C)c1	ZINC001024488557	784882899	/nfs/dbraw/zinc/88/28/99/784882899.db2.gz	ZQVLEKIINUZHEU-QRVBRYPASA-N	1	0	358.486	1.882	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CC[NH2+]CC(C)(C)C3)CC2)c1C#N	ZINC000892484608	785160683	/nfs/dbraw/zinc/16/06/83/785160683.db2.gz	MBAGKDBLYZSFIS-HNNXBMFYSA-N	1	0	373.505	1.210	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@@H](NC(=O)CC2(C)CC2)[C@H](OC)C1	ZINC001213185648	785345965	/nfs/dbraw/zinc/34/59/65/785345965.db2.gz	LTNNGFWJPDMSDI-GVDBMIGSSA-N	1	0	365.518	1.805	20	30		FDEDRO
O=C(NCC#CCO)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1	ZINC000923780558	785875432	/nfs/dbraw/zinc/87/54/32/785875432.db2.gz	HYOIQEPSFWUMMD-OAHLLOKOSA-N	1	0	355.360	1.575	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)[C@@H]3C2)c1	ZINC000978731857	805721037	/nfs/dbraw/zinc/72/10/37/805721037.db2.gz	CRNOFUJKZSSHTK-YRYYUTHUSA-N	1	0	351.450	1.920	20	30		FDEDRO
O=C(CNC(=O)NCC#Cc1ccccc1)NCC[NH+]1CCCCCC1	ZINC000431777766	786901156	/nfs/dbraw/zinc/90/11/56/786901156.db2.gz	CEYOPIOQRUYOMQ-UHFFFAOYSA-N	1	0	356.470	1.330	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2coc(OC)n2)C[C@H]1c1ccccc1	ZINC001211639564	787049593	/nfs/dbraw/zinc/04/95/93/787049593.db2.gz	BOHIZQVNEBSBBJ-DLBZAZTESA-N	1	0	369.421	1.531	20	30		FDEDRO
CC(C)(C)NC(=O)CN1CCCN(C(=O)c2cccc(F)c2C#N)CC1	ZINC000376342130	787354684	/nfs/dbraw/zinc/35/46/84/787354684.db2.gz	VMHQRUBWNYOHEY-UHFFFAOYSA-N	1	0	360.433	1.760	20	30		FDEDRO
C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1	ZINC000658919680	787407971	/nfs/dbraw/zinc/40/79/71/787407971.db2.gz	UAVFKKAPPUMBFY-CQSZACIVSA-N	1	0	363.483	1.476	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1c1ccccc1	ZINC001211640413	787527633	/nfs/dbraw/zinc/52/76/33/787527633.db2.gz	UXDHMMSUUCACTL-RBUKOAKNSA-N	1	0	350.466	1.960	20	30		FDEDRO
C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21	ZINC000662086105	805804878	/nfs/dbraw/zinc/80/48/78/805804878.db2.gz	PHUGNDUXJHKQAC-GASCZTMLSA-N	1	0	361.467	1.406	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(Cc3nc(CC)no3)C[C@H]21	ZINC000978844366	805812015	/nfs/dbraw/zinc/81/20/15/805812015.db2.gz	VWZHDHDJMSXULR-IBTNMTNLSA-N	1	0	360.458	1.407	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cccc(C)c4)[C@@H]3C2)C1=O	ZINC001075514663	787700815	/nfs/dbraw/zinc/70/08/15/787700815.db2.gz	DDRWKBCFVMUQQG-GBESFXJTSA-N	1	0	353.466	1.928	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC(=O)NC)C1	ZINC001104553703	787783311	/nfs/dbraw/zinc/78/33/11/787783311.db2.gz	FQDPCOONQVMGGV-BZUAXINKSA-N	1	0	364.490	1.098	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)Nc2ccon2)C1	ZINC001104554065	787787818	/nfs/dbraw/zinc/78/78/18/787787818.db2.gz	NIRDLLXJOXSBRK-HZPDHXFCSA-N	1	0	360.458	1.881	20	30		FDEDRO
C[C@H](C#N)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2	ZINC001006494560	787859939	/nfs/dbraw/zinc/85/99/39/787859939.db2.gz	NMQUKRRZKFRBAX-PILAGYSTSA-N	1	0	358.486	1.516	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2C(=O)CNC2=O)C1	ZINC001104563212	787921206	/nfs/dbraw/zinc/92/12/06/787921206.db2.gz	KCXXRZUAEXKNEY-ARFHVFGLSA-N	1	0	364.490	1.215	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCNC(C)=O)C1	ZINC001104563769	787932482	/nfs/dbraw/zinc/93/24/82/787932482.db2.gz	UENFXHSRYSECSC-BHIYHBOVSA-N	1	0	367.534	1.816	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1	ZINC000978871210	805835763	/nfs/dbraw/zinc/83/57/63/805835763.db2.gz	RKXGCBJNEQJCHH-WKULXVSPSA-N	1	0	363.502	1.463	20	30		FDEDRO
C[N@@H+]1CCC[C@H](CNC(=O)NCCn2cnc(C#N)n2)[C@H]1c1cccs1	ZINC000376511904	788139482	/nfs/dbraw/zinc/13/94/82/788139482.db2.gz	PHYKNSUQQUKZRB-CJNGLKHVSA-N	1	0	373.486	1.594	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cn1	ZINC000978877907	805876723	/nfs/dbraw/zinc/87/67/23/805876723.db2.gz	KLCRUQXGNFFALF-KLIQENQMSA-N	1	0	368.481	1.418	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1	ZINC001025292563	788441579	/nfs/dbraw/zinc/44/15/79/788441579.db2.gz	WNMFROKSRPXPQP-MDZRGWNJSA-N	1	0	351.491	1.009	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000973327424	788630559	/nfs/dbraw/zinc/63/05/59/788630559.db2.gz	GSUQFSFQBZLWBO-UTRMSSBJSA-N	1	0	353.466	1.314	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(CNC(C)=O)c3)[C@H]2C1	ZINC001083279736	788680377	/nfs/dbraw/zinc/68/03/77/788680377.db2.gz	NEDSQQGTPWQKPD-VQTJNVASSA-N	1	0	371.481	1.814	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1c1ccccc1	ZINC001211687859	805913982	/nfs/dbraw/zinc/91/39/82/805913982.db2.gz	CWENJSXMAAZFPH-VQTJNVASSA-N	1	0	355.482	1.316	20	30		FDEDRO
C=C(CNC(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1)c1ccccc1	ZINC000659493052	789047029	/nfs/dbraw/zinc/04/70/29/789047029.db2.gz	OLHRTKNEUAGLEC-UHFFFAOYSA-N	1	0	358.486	1.990	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000892694207	789171015	/nfs/dbraw/zinc/17/10/15/789171015.db2.gz	DLPYFPUCRGATAM-INIZCTEOSA-N	1	0	350.507	1.832	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC(=O)NC)C2)C1	ZINC001104652757	789175852	/nfs/dbraw/zinc/17/58/52/789175852.db2.gz	OYLIGWPKHZJURW-RBSFLKMASA-N	1	0	364.490	1.261	20	30		FDEDRO
O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cn([C@H]2CCOC2)nn1	ZINC000330025905	789256773	/nfs/dbraw/zinc/25/67/73/789256773.db2.gz	BFLSVISYAWIJAS-INIZCTEOSA-N	1	0	356.430	1.856	20	30		FDEDRO
C=CC[C@@H](CO)CNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)c(F)c1	ZINC000659595858	789261745	/nfs/dbraw/zinc/26/17/45/789261745.db2.gz	UZJLNAIHGFJLEK-KMFMINBZSA-N	1	0	365.449	1.764	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccnc3c2ncn3C)C[C@H]1C	ZINC001104667518	789274287	/nfs/dbraw/zinc/27/42/87/789274287.db2.gz	PVCDTSXAFKOIMJ-HZPDHXFCSA-N	1	0	369.469	1.306	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC(F)(F)C2)C[C@H]1C	ZINC001104669372	789276408	/nfs/dbraw/zinc/27/64/08/789276408.db2.gz	NKTYQCFDTMVOEN-OWCLPIDISA-N	1	0	369.456	1.636	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)c2ccsc2)C[C@H]1C	ZINC001104669496	789277457	/nfs/dbraw/zinc/27/74/57/789277457.db2.gz	HKEFWODMFDLANV-BZUAXINKSA-N	1	0	361.511	1.675	20	30		FDEDRO
C=CCN(C(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1)[C@@H](C)COC	ZINC000659626230	789296281	/nfs/dbraw/zinc/29/62/81/789296281.db2.gz	HAEQJBYWUAFWTB-HNNXBMFYSA-N	1	0	354.495	1.210	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cc(N3CCCC3)ncn2)C[C@H]1C	ZINC001104676265	789313664	/nfs/dbraw/zinc/31/36/64/789313664.db2.gz	CFKOPENBWPHUJF-IAGOWNOFSA-N	1	0	355.486	1.788	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1	ZINC001104685346	789374931	/nfs/dbraw/zinc/37/49/31/789374931.db2.gz	GUYUPVXBYFGWPB-PILAGYSTSA-N	1	0	354.454	1.254	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000636674155	805969044	/nfs/dbraw/zinc/96/90/44/805969044.db2.gz	WHJMIWZYZFCUGB-UHFFFAOYSA-N	1	0	365.518	1.856	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@H]1C	ZINC001104699318	789519193	/nfs/dbraw/zinc/51/91/93/789519193.db2.gz	MYDQZMQLGIAVRS-BRSBDYLESA-N	1	0	360.502	1.800	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@H]1C	ZINC001104699577	789519680	/nfs/dbraw/zinc/51/96/80/789519680.db2.gz	ZFZNVIXIBSBPPL-BRSBDYLESA-N	1	0	358.486	1.248	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnc(C)nc2)C1	ZINC001104704335	789553372	/nfs/dbraw/zinc/55/33/72/789553372.db2.gz	UAXVXRPIPFHNFA-AXUOBQJMSA-N	1	0	358.486	1.950	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2cscn2)C1	ZINC001112020705	789565916	/nfs/dbraw/zinc/56/59/16/789565916.db2.gz	VSPRRDXNODKJBW-KSSFIOAISA-N	1	0	362.499	1.349	20	30		FDEDRO
C[NH+](C)CCCOc1ccc(CNC(=O)N2CCO[C@](C)(C#N)C2)cc1	ZINC000892770316	791172640	/nfs/dbraw/zinc/17/26/40/791172640.db2.gz	JBNFOORSPQLUHL-LJQANCHMSA-N	1	0	360.458	1.841	20	30		FDEDRO
C[C@]1(C#N)CN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCO1	ZINC000892773181	791193250	/nfs/dbraw/zinc/19/32/50/791193250.db2.gz	XDIBCJQLGURZPH-ICSRJNTNSA-N	1	0	356.470	1.875	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+]	ZINC000415020615	791216674	/nfs/dbraw/zinc/21/66/74/791216674.db2.gz	JPLDDHGUASTEMT-HNNXBMFYSA-N	1	0	373.457	1.808	20	30		FDEDRO
C=C[C@H](CO)[NH2+]CC(=O)N1CCN(Cc2cccc3ccccc32)CC1	ZINC000662166045	806047773	/nfs/dbraw/zinc/04/77/73/806047773.db2.gz	RHSFPQFXDZFETP-LJQANCHMSA-N	1	0	353.466	1.621	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000979099771	806053566	/nfs/dbraw/zinc/05/35/66/806053566.db2.gz	WALNHTYHADLAPG-SKWUIDRYSA-N	1	0	353.466	1.633	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cnn(-c3ccccn3)c2)C[C@H]1C	ZINC001104746444	791689797	/nfs/dbraw/zinc/68/97/97/791689797.db2.gz	JRTKIRDSPWKBEX-IAGOWNOFSA-N	1	0	351.454	1.978	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1	ZINC001025691855	791835807	/nfs/dbraw/zinc/83/58/07/791835807.db2.gz	WYZHVRWMRNMUJN-SPYBWZPUSA-N	1	0	351.491	1.009	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1C#N	ZINC000415346132	791985342	/nfs/dbraw/zinc/98/53/42/791985342.db2.gz	BNSZNOSSEUFGFL-KBPBESRZSA-N	1	0	358.442	1.788	20	30		FDEDRO
N#Cc1cc(Oc2ccc(NC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)cc2)ccn1	ZINC000415387712	792171241	/nfs/dbraw/zinc/17/12/41/792171241.db2.gz	XXNGQMDBASEQRP-AWEZNQCLSA-N	1	0	365.393	1.552	20	30		FDEDRO
N#Cc1cc(Oc2ccc(NC(=O)C(=O)NC[C@H]3CCC[NH2+]3)cc2)ccn1	ZINC000415387713	792171643	/nfs/dbraw/zinc/17/16/43/792171643.db2.gz	XXNGQMDBASEQRP-CQSZACIVSA-N	1	0	365.393	1.552	20	30		FDEDRO
C[C@@H]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)[C@H](C[NH3+])C1	ZINC000415451535	792286336	/nfs/dbraw/zinc/28/63/36/792286336.db2.gz	XKGAZVQYJSAGSH-OLZOCXBDSA-N	1	0	356.405	2.474	20	30		FDEDRO
C[C@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@@H]1CCC[NH2+]C1	ZINC000415469675	792320398	/nfs/dbraw/zinc/32/03/98/792320398.db2.gz	XRFUVHYESPPLKU-GXTWGEPZSA-N	1	0	356.405	2.393	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@H]1c1ccccc1	ZINC001211650274	792342734	/nfs/dbraw/zinc/34/27/34/792342734.db2.gz	BLJNTVBISYTEOZ-OTWHNJEPSA-N	1	0	371.481	1.394	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)Nc1cccc(OCC[NH+](C)C)c1	ZINC000783044651	792391672	/nfs/dbraw/zinc/39/16/72/792391672.db2.gz	SSYICJKUECXBIK-UHFFFAOYSA-N	1	0	355.460	1.349	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3ccc(OCC=C)cc3)[C@H]2C1	ZINC001083286583	792412611	/nfs/dbraw/zinc/41/26/11/792412611.db2.gz	RPSZHLQGECHNEW-VQTJNVASSA-N	1	0	354.450	1.729	20	30		FDEDRO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)cc1	ZINC000377653545	792424108	/nfs/dbraw/zinc/42/41/08/792424108.db2.gz	MNJMXMABXRKSHU-LZLYRXPVSA-N	1	0	354.454	1.698	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1	ZINC000415578693	792589447	/nfs/dbraw/zinc/58/94/47/792589447.db2.gz	IWTAKTGCKDIVDZ-JYJNAYRXSA-N	1	0	370.453	1.870	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1	ZINC000415599278	792653471	/nfs/dbraw/zinc/65/34/71/792653471.db2.gz	WVZKNSJFKREJFM-QGZVFWFLSA-N	1	0	364.352	1.310	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1	ZINC000415625166	792719691	/nfs/dbraw/zinc/71/96/91/792719691.db2.gz	OYTUXBLZXPCIJX-DOMZBBRYSA-N	1	0	359.430	1.047	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)ccc1OC(F)(F)F	ZINC000415660954	792766355	/nfs/dbraw/zinc/76/63/55/792766355.db2.gz	TXZACQGVYAOTKR-PHIMTYICSA-N	1	0	368.315	1.073	20	30		FDEDRO
CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	ZINC000415662448	792770794	/nfs/dbraw/zinc/77/07/94/792770794.db2.gz	QHSIUVPKIPTRLR-CYBMUJFWSA-N	1	0	367.409	1.798	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1	ZINC000415764463	792946119	/nfs/dbraw/zinc/94/61/19/792946119.db2.gz	ZMVKOXVEBBBPHP-GASCZTMLSA-N	1	0	356.426	1.353	20	30		FDEDRO
O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1	ZINC000415772922	792956609	/nfs/dbraw/zinc/95/66/09/792956609.db2.gz	UPEGVVGFSJVGLD-YLJYHZDGSA-N	1	0	374.444	1.630	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)Cc3ccccc3)C[C@H]21	ZINC001026057042	793035065	/nfs/dbraw/zinc/03/50/65/793035065.db2.gz	ULDGSWCZOGLQIY-MUJBESKKSA-N	1	0	356.466	1.228	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1C#N	ZINC000415838178	793107350	/nfs/dbraw/zinc/10/73/50/793107350.db2.gz	HAVUPAUKPLSIIX-BFUOFWGJSA-N	1	0	358.442	1.727	20	30		FDEDRO
C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C[NH3+]	ZINC000415855711	793191548	/nfs/dbraw/zinc/19/15/48/793191548.db2.gz	YUTUJYTZXRWBNU-JQWIXIFHSA-N	1	0	368.359	1.959	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)cc1F	ZINC000415856812	793212991	/nfs/dbraw/zinc/21/29/91/793212991.db2.gz	GILSBXXNLSDQSX-UHFFFAOYSA-N	1	0	370.428	1.906	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)ccc1OC(F)(F)F	ZINC000415859258	793217712	/nfs/dbraw/zinc/21/77/12/793217712.db2.gz	ANGWRPAYVRHREZ-LBPRGKRZSA-N	1	0	370.331	1.654	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1	ZINC000415902427	793351716	/nfs/dbraw/zinc/35/17/16/793351716.db2.gz	YHYJSLOPUMTGHS-ZIAGYGMSSA-N	1	0	371.441	1.001	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nccnc3C)C2)nn1	ZINC001104769136	793554565	/nfs/dbraw/zinc/55/45/65/793554565.db2.gz	FVFJWMWJJMQYKP-GDBMZVCRSA-N	1	0	369.473	1.451	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2COCCN2C)C1	ZINC001087425588	806259076	/nfs/dbraw/zinc/25/90/76/806259076.db2.gz	FYGOGCSSQUTTPA-AQNXPRMDSA-N	1	0	357.498	1.867	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@H]1CC[NH2+]CC#Cc1ccccc1	ZINC001104786289	793655163	/nfs/dbraw/zinc/65/51/63/793655163.db2.gz	OUHQDOPBCKDOKE-RLLQIKCJSA-N	1	0	367.493	1.781	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc3c(c2)COC3)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104787074	793662280	/nfs/dbraw/zinc/66/22/80/793662280.db2.gz	ZDZYTPSLZKRMTQ-GDBMZVCRSA-N	1	0	370.453	1.044	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1CC[NH2+]CC#Cc1ccccc1	ZINC001104791133	793688342	/nfs/dbraw/zinc/68/83/42/793688342.db2.gz	OTGCLSGZUVQBLC-SJLPKXTDSA-N	1	0	351.454	1.555	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2[nH]ncc2Br)C[C@H]1C	ZINC001104804036	793768588	/nfs/dbraw/zinc/76/85/88/793768588.db2.gz	KAMNNBJBJGHWGZ-VXGBXAGGSA-N	1	0	353.264	1.883	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2[nH]ncc2Br)C[C@H]1C	ZINC001104802226	793773252	/nfs/dbraw/zinc/77/32/52/793773252.db2.gz	BWYDATRGAYNWBW-VXGBXAGGSA-N	1	0	353.264	1.883	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(=O)n(CC)n2)C[C@H]1C	ZINC001104806726	793782874	/nfs/dbraw/zinc/78/28/74/793782874.db2.gz	DIVRBGSEAZVKPC-HZPDHXFCSA-N	1	0	362.474	1.154	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](OCC)c1ccccc1)C2	ZINC001111493309	793813023	/nfs/dbraw/zinc/81/30/23/793813023.db2.gz	OWHNOGHBRSMKEQ-FTEYMNFISA-N	1	0	369.465	1.235	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ncccn2)C[C@H]1C	ZINC001104823310	793905444	/nfs/dbraw/zinc/90/54/44/793905444.db2.gz	QNXGMLHYYJKTOU-IAGOWNOFSA-N	1	0	371.485	1.365	20	30		FDEDRO
C[C@H]1CN(CC(=O)Nc2cccc(C#N)c2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000378320134	793949807	/nfs/dbraw/zinc/94/98/07/793949807.db2.gz	PAJUIEJPEUDJJF-QFBILLFUSA-N	1	0	355.486	1.455	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCC(c3cn[nH]c3)CC2)CC1	ZINC000378424865	794111836	/nfs/dbraw/zinc/11/18/36/794111836.db2.gz	FJRFTAXEWSGPJR-GOSISDBHSA-N	1	0	358.490	1.281	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@]2(C)CCN(C(C)=O)C2)C[C@H]1C	ZINC001104881512	794201096	/nfs/dbraw/zinc/20/10/96/794201096.db2.gz	FICGIPQJDHGGDR-YVWKXTFCSA-N	1	0	365.518	1.522	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)C2(C(=O)N(C)C)CC2)C[C@H]1C	ZINC001104892396	794240534	/nfs/dbraw/zinc/24/05/34/794240534.db2.gz	DEOISXVPNACIQX-HZPDHXFCSA-N	1	0	351.491	1.132	20	30		FDEDRO
Cc1cc(NC(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)nn1CCC#N	ZINC000378520976	794260216	/nfs/dbraw/zinc/26/02/16/794260216.db2.gz	OHVGNRPQHIBUGG-JKSUJKDBSA-N	1	0	360.462	1.728	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(N)=O)C[C@H]1C	ZINC001104895577	794278223	/nfs/dbraw/zinc/27/82/23/794278223.db2.gz	AMUKTLRYTLRTSO-ZACQAIPSSA-N	1	0	350.507	1.960	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C1	ZINC001104921721	794404784	/nfs/dbraw/zinc/40/47/84/794404784.db2.gz	MCJISVMMRDRRKS-QZTJIDSGSA-N	1	0	369.465	1.431	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](CCCC)C(N)=O)C2)nc1	ZINC001104923934	794419391	/nfs/dbraw/zinc/41/93/91/794419391.db2.gz	DUOITWPUKIRHQE-KBAYOESNSA-N	1	0	370.497	1.795	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)N(C)C)C2)nc1	ZINC001104924681	794422762	/nfs/dbraw/zinc/42/27/62/794422762.db2.gz	QLZASTOOHDMBSV-HLLBOEOZSA-N	1	0	356.470	1.227	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCn3cccn3)C2)cn1	ZINC001104926985	794426238	/nfs/dbraw/zinc/42/62/38/794426238.db2.gz	NEQPELVGPZNEGT-SJLPKXTDSA-N	1	0	351.454	1.647	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(C)C)C1	ZINC001104954579	794552426	/nfs/dbraw/zinc/55/24/26/794552426.db2.gz	IWEODKWWEQTYDJ-YLJYHZDGSA-N	1	0	369.509	1.809	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)c2ccc(C)s2)C[C@H]1C	ZINC001104974720	794687284	/nfs/dbraw/zinc/68/72/84/794687284.db2.gz	HBYWGWPFFMFVMF-GDBMZVCRSA-N	1	0	361.511	1.884	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)C[C@H]1C	ZINC001104990215	794741118	/nfs/dbraw/zinc/74/11/18/794741118.db2.gz	MIHHBVPIROFASM-RBSFLKMASA-N	1	0	350.463	1.015	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1	ZINC000974224586	794827074	/nfs/dbraw/zinc/82/70/74/794827074.db2.gz	WSVSMKMSROHDBJ-JFRXWTBNSA-N	1	0	371.481	1.716	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)C[C@H]1C	ZINC001105053481	795072550	/nfs/dbraw/zinc/07/25/50/795072550.db2.gz	ODASFTYNEYAEES-HZPDHXFCSA-N	1	0	359.536	1.308	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2c(C)nnn2CC)C1	ZINC001105085185	795201221	/nfs/dbraw/zinc/20/12/21/795201221.db2.gz	CQMHUZJOOQOPQY-NVXWUHKLSA-N	1	0	363.506	1.773	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(CC)CC)C1	ZINC001105090335	795233984	/nfs/dbraw/zinc/23/39/84/795233984.db2.gz	RDQCVWIPWABYJE-IXDOHACOSA-N	1	0	353.507	1.520	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(CC)C2CC2)C1	ZINC001105090308	795234397	/nfs/dbraw/zinc/23/43/97/795234397.db2.gz	PXKLOZZNJWTOHN-IAGOWNOFSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2CCC)C1	ZINC001105090690	795237116	/nfs/dbraw/zinc/23/71/16/795237116.db2.gz	GFUMRMCAGALQLN-BZUAXINKSA-N	1	0	364.494	1.248	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1CC[NH2+]Cc1ccc(C#N)s1	ZINC001105100149	795280961	/nfs/dbraw/zinc/28/09/61/795280961.db2.gz	CTJZCFRZMHWYGA-ZIAGYGMSSA-N	1	0	362.499	1.850	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCCO2)C[C@H]1C	ZINC001105111862	795324111	/nfs/dbraw/zinc/32/41/11/795324111.db2.gz	UDWPQLACTHBYRZ-KZNAEPCWSA-N	1	0	365.518	1.712	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCOCC2	ZINC000893318734	795383905	/nfs/dbraw/zinc/38/39/05/795383905.db2.gz	OJIXPIZFCXPCSZ-ZIAGYGMSSA-N	1	0	353.463	1.341	20	30		FDEDRO
Cc1cccc(C[NH+]2CCC(NC(=O)N3CCN(C)[C@H](C#N)C3)CC2)c1	ZINC000364217862	795472768	/nfs/dbraw/zinc/47/27/68/795472768.db2.gz	PVCKNJDEFYWXHC-LJQANCHMSA-N	1	0	355.486	1.809	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NC2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)O1	ZINC001026514860	795489183	/nfs/dbraw/zinc/48/91/83/795489183.db2.gz	UNWUQLGEJCVUOQ-BTWUCOSQSA-N	1	0	370.497	1.794	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H]2CCN(C)C2=O)C1	ZINC001211655290	795550792	/nfs/dbraw/zinc/55/07/92/795550792.db2.gz	GXHQQSBKSNHJJB-SLFFLAALSA-N	1	0	367.493	1.995	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC([NH2+]Cc2nnnn2C(C)C)CC1	ZINC001026564269	795558817	/nfs/dbraw/zinc/55/88/17/795558817.db2.gz	YXCRPMZWJUTPDL-FJBKBRRZSA-N	1	0	362.478	1.362	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1c1ccccc1	ZINC001211655323	795566827	/nfs/dbraw/zinc/56/68/27/795566827.db2.gz	HFVBJMRNYUVMLJ-CENDIDJXSA-N	1	0	354.450	1.113	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1C(F)(F)F	ZINC001112090498	795608551	/nfs/dbraw/zinc/60/85/51/795608551.db2.gz	JRBYBMRQLWOSKY-QJPTWQEYSA-N	1	0	361.364	1.926	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)nn1	ZINC001105265103	795634654	/nfs/dbraw/zinc/63/46/54/795634654.db2.gz	YFXPWEXYYREOQB-KBRIMQKVSA-N	1	0	369.473	1.633	20	30		FDEDRO
N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)NC1CC[NH2+]CC1	ZINC000418313265	795768945	/nfs/dbraw/zinc/76/89/45/795768945.db2.gz	VNAKDIRHNWAAIO-UHFFFAOYSA-N	1	0	367.457	1.310	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1	ZINC000418373220	795836961	/nfs/dbraw/zinc/83/69/61/795836961.db2.gz	ZKZBRHVQQHWRDJ-QGZVFWFLSA-N	1	0	356.474	1.692	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C(C)C)C[C@H]1c1ccccc1	ZINC001211657737	795910982	/nfs/dbraw/zinc/91/09/82/795910982.db2.gz	LIHHSKFBNSMYJY-ZCNNSNEGSA-N	1	0	367.493	1.993	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CCCC[N@H+]4C)[C@@H]3C2)cn1	ZINC000974462987	795999977	/nfs/dbraw/zinc/99/99/77/795999977.db2.gz	GJKYKVLLBSLAGP-BHIYHBOVSA-N	1	0	366.465	1.220	20	30		FDEDRO
C[C@@H](ONC(N)=C1C(=[NH2+])C2(CCCC2)N(C)C1=O)c1cccc(C#N)c1	ZINC000194627495	796000722	/nfs/dbraw/zinc/00/07/22/796000722.db2.gz	CTFPSMWXKBMTOE-GFCCVEGCSA-N	1	0	353.426	1.906	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21	ZINC000974469427	796010759	/nfs/dbraw/zinc/01/07/59/796010759.db2.gz	PEOPTZHWDRMNQG-XOKHGSTOSA-N	1	0	355.442	1.044	20	30		FDEDRO
Cc1onc(CC(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)c1C#N	ZINC000500391978	796031138	/nfs/dbraw/zinc/03/11/38/796031138.db2.gz	GWIOZOYYYMDCHC-UHFFFAOYSA-N	1	0	354.410	1.993	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000979864691	806551007	/nfs/dbraw/zinc/55/10/07/806551007.db2.gz	UOAIBCBIOWICQI-NZUILWFCSA-N	1	0	357.458	1.241	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H](NC(=O)[C@]34C[C@H]3CCC4)C2)CC1	ZINC000979921399	806607746	/nfs/dbraw/zinc/60/77/46/806607746.db2.gz	VBNNVLDYBWAWOP-QTQZEZTPSA-N	1	0	357.498	1.533	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cccn3nnnc23)C1	ZINC001087428334	806753467	/nfs/dbraw/zinc/75/34/67/806753467.db2.gz	ZHTQNOARJLGGNJ-SJLPKXTDSA-N	1	0	362.437	1.898	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ncc(Cl)n2C)C1	ZINC001026849744	800016169	/nfs/dbraw/zinc/01/61/69/800016169.db2.gz	DNHMFEJUWGBYNQ-ZNMIVQPWSA-N	1	0	366.893	1.993	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(C(C)C)CCO2)C[C@H]1c1ccccc1	ZINC001211659321	800096568	/nfs/dbraw/zinc/09/65/68/800096568.db2.gz	JXJBOCIQUHTIML-HBMCJLEFSA-N	1	0	369.509	1.703	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1C[N@H+](Cc2cccc(C#N)c2)CC1(C)C	ZINC000974694421	800106199	/nfs/dbraw/zinc/10/61/99/800106199.db2.gz	UBXURUYAPGSSNE-WBAXXEDZSA-N	1	0	357.454	1.689	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cc(F)ccc2C#N)C1	ZINC001026894492	800129640	/nfs/dbraw/zinc/12/96/40/800129640.db2.gz	GUYCUXZNFMOHFX-IYOUNJFTSA-N	1	0	361.417	1.439	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O	ZINC000124286736	800363343	/nfs/dbraw/zinc/36/33/43/800363343.db2.gz	CZEXDZGMVVVNMO-UHFFFAOYSA-N	1	0	372.469	1.657	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C(C)(C)C1	ZINC000974879065	800473571	/nfs/dbraw/zinc/47/35/71/800473571.db2.gz	NCRBVBRCQQYMBG-SQNIBIBYSA-N	1	0	365.518	1.269	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCCN2C[C@H]3CCCCN3C2=O)CC1	ZINC000660597325	800679604	/nfs/dbraw/zinc/67/96/04/800679604.db2.gz	PAKIXVCFGKDTOQ-QGZVFWFLSA-N	1	0	363.506	1.616	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCCOc2ccc(S(C)(=O)=O)cc2)CCC[NH2+]1	ZINC000662581727	806854061	/nfs/dbraw/zinc/85/40/61/806854061.db2.gz	IFQMGGRIGSWBNS-KRWDZBQOSA-N	1	0	352.456	1.283	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C4(CC)CC4)[C@@H]3C2)CC1	ZINC000975035946	800746592	/nfs/dbraw/zinc/74/65/92/800746592.db2.gz	IFXZAPDMVXTBOK-QZTJIDSGSA-N	1	0	357.498	1.581	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3CCN(C(=O)[C@@H](C4CC4)[NH+](C)C)C[C@H]32)c1	ZINC000975068092	800819778	/nfs/dbraw/zinc/81/97/78/800819778.db2.gz	DMLNCGJKPUAVTD-BHIYHBOVSA-N	1	0	366.465	1.076	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ncnn2CC)C1	ZINC001027113570	800977291	/nfs/dbraw/zinc/97/72/91/800977291.db2.gz	DKAOFMVFHSXDHS-BQFCYCMXSA-N	1	0	361.490	1.607	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000975182937	800985319	/nfs/dbraw/zinc/98/53/19/800985319.db2.gz	IALOTHKZSHXVOW-QILLFSRXSA-N	1	0	371.485	1.585	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC000975320697	801139235	/nfs/dbraw/zinc/13/92/35/801139235.db2.gz	QBEDNMBEQZJVJB-BPQIPLTHSA-N	1	0	368.481	1.372	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCN(C(=O)[C@]34C[C@H]3CCC4)C2)CC1	ZINC000975334266	801189924	/nfs/dbraw/zinc/18/99/24/801189924.db2.gz	UIEYROJWPDJQJY-LRXVAGHRSA-N	1	0	371.525	1.877	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)c4ccco4)C[C@@H]32)CC1	ZINC000975489225	801377670	/nfs/dbraw/zinc/37/76/70/801377670.db2.gz	MMPNVWITSVDYON-WMZOPIPTSA-N	1	0	369.465	1.688	20	30		FDEDRO
CC[C@@H](C(=O)N1CC[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]21)[NH+](C)C	ZINC000975670545	801903120	/nfs/dbraw/zinc/90/31/20/801903120.db2.gz	KVGJZJKUWXVONM-JQFCIGGWSA-N	1	0	357.458	1.290	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]21	ZINC000975718529	802119995	/nfs/dbraw/zinc/11/99/95/802119995.db2.gz	IRVNCIBKCDDKOF-SCTDSRPQSA-N	1	0	370.497	1.689	20	30		FDEDRO
C=CC[C@]1(C(=O)Nc2ccc(CC(=O)N3CCN(C)CC3)cc2)CCC[NH2+]1	ZINC000662693428	806963435	/nfs/dbraw/zinc/96/34/35/806963435.db2.gz	VTYSQDUPRYCXGZ-OAQYLSRUSA-N	1	0	370.497	1.640	20	30		FDEDRO
C=CC[C@@]1(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)CCC[NH2+]1	ZINC000662696376	806969178	/nfs/dbraw/zinc/96/91/78/806969178.db2.gz	YIDJPBFEVMPHNP-SFHVURJKSA-N	1	0	363.483	1.558	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@H]3C2)CC[N@@H+]1C	ZINC000975737410	802173906	/nfs/dbraw/zinc/17/39/06/802173906.db2.gz	PMXDZDLHHHEVRB-KKBFJZEXSA-N	1	0	369.469	1.290	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CCN(C(=O)C#CC4CC4)[C@H]3C2)CC[N@@H+]1C	ZINC000975737767	802174632	/nfs/dbraw/zinc/17/46/32/802174632.db2.gz	FUOWKARRLZDBTL-OKYOBFRVSA-N	1	0	357.498	1.580	20	30		FDEDRO
Cc1c(C(=O)N2CC[C@H]3CCN(C(=O)[C@@H](C)C#N)[C@H]3C2)ccc2c[nH+]cn21	ZINC000975788891	802331861	/nfs/dbraw/zinc/33/18/61/802331861.db2.gz	ABEHYPNGJSKKCU-YEWWUXTCSA-N	1	0	365.437	1.865	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]32)c1	ZINC000975820506	802517134	/nfs/dbraw/zinc/51/71/34/802517134.db2.gz	FIOXOWRMRKKCCZ-RDJZCZTQSA-N	1	0	367.453	1.045	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@H]3C2)c1	ZINC000975996181	802822977	/nfs/dbraw/zinc/82/29/77/802822977.db2.gz	OUOWGVWZMLFXSM-LNLFQRSKSA-N	1	0	366.465	1.078	20	30		FDEDRO
C=CC[C@@]1(C(=O)Nc2cccc(CC(=O)N3CCN(C)CC3)c2)CCC[NH2+]1	ZINC000662752885	803060475	/nfs/dbraw/zinc/06/04/75/803060475.db2.gz	UZNIAHYEQJFFIY-NRFANRHFSA-N	1	0	370.497	1.640	20	30		FDEDRO
C=CC[C@]1(C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)CCC[NH2+]1	ZINC000662798140	803313647	/nfs/dbraw/zinc/31/36/47/803313647.db2.gz	BFHQEVKKGANIQW-GOSISDBHSA-N	1	0	363.483	1.541	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCC[N@H+]2C)c1	ZINC000976415290	803345281	/nfs/dbraw/zinc/34/52/81/803345281.db2.gz	GZZHFIMLSPEROM-KURKYZTESA-N	1	0	354.454	1.314	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1	ZINC000976595085	803588602	/nfs/dbraw/zinc/58/86/02/803588602.db2.gz	GYPXFEHXDMENKA-HBRVENNYSA-N	1	0	351.450	1.195	20	30		FDEDRO
C=CCc1cc(CNC(=O)c2cn(CCC[NH3+])nn2)cc(OC)c1OC	ZINC000423118428	814964434	/nfs/dbraw/zinc/96/44/34/814964434.db2.gz	ANURYSGYGGVLMY-UHFFFAOYSA-N	1	0	359.430	1.303	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)C(=O)N3CCC(C[NH3+])CC3)CC2)cc1	ZINC000423155534	814976802	/nfs/dbraw/zinc/97/68/02/814976802.db2.gz	QOQFAESFXVFTQN-UHFFFAOYSA-N	1	0	370.453	1.125	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1	ZINC000423185637	814983024	/nfs/dbraw/zinc/98/30/24/814983024.db2.gz	JVTOOCRYERKCLR-ZWKOTPCHSA-N	1	0	352.438	1.141	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2	ZINC000976989361	804247202	/nfs/dbraw/zinc/24/72/02/804247202.db2.gz	FLOHVFBMDRIBEL-VQHPVUNQSA-N	1	0	361.486	1.217	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1	ZINC000423219335	815006638	/nfs/dbraw/zinc/00/66/38/815006638.db2.gz	WDQHVXDDMPLGBW-USXIJHARSA-N	1	0	372.425	1.305	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1	ZINC000423221290	815007184	/nfs/dbraw/zinc/00/71/84/815007184.db2.gz	ZDMSNJILLHMJHF-CVEARBPZSA-N	1	0	372.425	1.177	20	30		FDEDRO
C=CCc1ccc(OCC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)c(OC)c1	ZINC000662945127	804655889	/nfs/dbraw/zinc/65/58/89/804655889.db2.gz	GDBGNPVATLMUNO-UHFFFAOYSA-N	1	0	358.398	1.073	20	30		FDEDRO
C[C@@]1(C#N)CN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCO1	ZINC000893509780	804846219	/nfs/dbraw/zinc/84/62/19/804846219.db2.gz	XPXVVQJWTMCDOU-GOSISDBHSA-N	1	0	364.490	1.593	20	30		FDEDRO
C=CCC1([NH2+]CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CCCC1	ZINC000661851872	804998467	/nfs/dbraw/zinc/99/84/67/804998467.db2.gz	XDMMKOFELGYSHB-UHFFFAOYSA-N	1	0	364.534	1.524	20	30		FDEDRO
C=CCC1([NH2+]CC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)CCCC1	ZINC000661852229	804999445	/nfs/dbraw/zinc/99/94/45/804999445.db2.gz	OQZFGRZKXAAPGM-UHFFFAOYSA-N	1	0	367.471	1.760	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC3CC3)C2)c1	ZINC001112527002	805082125	/nfs/dbraw/zinc/08/21/25/805082125.db2.gz	IEFNZCZJOJOCGF-UWJYYQICSA-N	1	0	366.465	1.173	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1	ZINC000504072718	815051771	/nfs/dbraw/zinc/05/17/71/815051771.db2.gz	DGFWXRLEMWLVRM-GOSISDBHSA-N	1	0	373.497	1.953	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@H]4c4c[nH]cn4)[C@@H]3C2)s1	ZINC000978291873	805343128	/nfs/dbraw/zinc/34/31/28/805343128.db2.gz	KHNYKFOHQFPWQC-HHARLNAUSA-N	1	0	367.478	1.941	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCO[C@H]3c3nccn3C)[C@@H]2C1	ZINC000978298494	805348763	/nfs/dbraw/zinc/34/87/63/805348763.db2.gz	YZTFTADVFNQZLW-HSFUPAIVSA-N	1	0	358.486	1.758	20	30		FDEDRO
C#Cc1cncc(C(=O)N(C)C[C@@H]2CCN2C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)c1	ZINC000978348043	805363658	/nfs/dbraw/zinc/36/36/58/805363658.db2.gz	NKPQEQSKEMBPFP-GBESFXJTSA-N	1	0	368.481	1.466	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3ccc(C)o3)C2)CC1	ZINC000980864677	807247942	/nfs/dbraw/zinc/24/79/42/807247942.db2.gz	IQNKOILQKOGDLF-FUHWJXTLSA-N	1	0	371.481	1.948	20	30		FDEDRO
C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1	ZINC000423515538	815108275	/nfs/dbraw/zinc/10/82/75/815108275.db2.gz	ADWRFUGZAKUICN-RYQLBKOJSA-N	1	0	354.454	1.353	20	30		FDEDRO
C[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1	ZINC000423519732	815109801	/nfs/dbraw/zinc/10/98/01/815109801.db2.gz	DNFIWIWRNWVWGH-ROUUACIJSA-N	1	0	354.454	1.495	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1	ZINC000423519750	815109934	/nfs/dbraw/zinc/10/99/34/815109934.db2.gz	DOZYFTYXXKEFNY-QXAKKESOSA-N	1	0	368.481	1.872	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCOC)C1	ZINC001112532692	807479293	/nfs/dbraw/zinc/47/92/93/807479293.db2.gz	QQVMNXLPPMIYDV-DMUMMCEESA-N	1	0	366.502	1.459	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@@H]3CCC[N@H+]3C)C2)cn1	ZINC000981050528	807488895	/nfs/dbraw/zinc/48/88/95/807488895.db2.gz	CZVFHWNDIJAPBB-QGTPRVQTSA-N	1	0	354.454	1.172	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1	ZINC000981108938	807565752	/nfs/dbraw/zinc/56/57/52/807565752.db2.gz	XHBVMRFAFOONEM-OFQRWUPVSA-N	1	0	357.458	1.243	20	30		FDEDRO
C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1	ZINC000423567934	815137590	/nfs/dbraw/zinc/13/75/90/815137590.db2.gz	KWCBDZSZQMJCGS-QGZVFWFLSA-N	1	0	354.454	1.507	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C2CC2)cc1	ZINC000423573009	815141908	/nfs/dbraw/zinc/14/19/08/815141908.db2.gz	QPKNEXJBIHAOCV-IRXDYDNUSA-N	1	0	352.438	1.117	20	30		FDEDRO
CC[NH2+]CC1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)CC1	ZINC000423585151	815151846	/nfs/dbraw/zinc/15/18/46/815151846.db2.gz	AOOSSAKJEWFAGI-MOPGFXCFSA-N	1	0	368.481	1.600	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCNc1cc[nH+]cc1	ZINC000512040006	807790219	/nfs/dbraw/zinc/79/02/19/807790219.db2.gz	LKQPLHYDJHHOBX-UHFFFAOYSA-N	1	0	363.425	1.196	20	30		FDEDRO
N#C/N=C1\SCCN1Cc1ccc(NCC[NH+]2CCSCC2)nc1	ZINC001167835576	807829821	/nfs/dbraw/zinc/82/98/21/807829821.db2.gz	YQMVMDUKMTXXMA-SILNSSARSA-N	1	0	362.528	1.928	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C#Cc1ccc2c(c1)OCO2	ZINC000278958992	807919021	/nfs/dbraw/zinc/91/90/21/807919021.db2.gz	ZUZNERUDFPULOM-HNNXBMFYSA-N	1	0	356.422	1.479	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@H]3CCCC[N@H+]3C)C2)nc1	ZINC000981685396	808340976	/nfs/dbraw/zinc/34/09/76/808340976.db2.gz	XODVIZZHMNCPEB-YQVWRLOYSA-N	1	0	368.481	1.562	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CCCN(Cc1cn(C)nn1)C2	ZINC000981776050	808472696	/nfs/dbraw/zinc/47/26/96/808472696.db2.gz	DWLYIPWJNBGRQY-SJORKVTESA-N	1	0	359.474	1.221	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1cc2n(n1)CCCC2	ZINC001028146760	808689122	/nfs/dbraw/zinc/68/91/22/808689122.db2.gz	LPVSKAIFWLQBMZ-OTWHNJEPSA-N	1	0	358.486	1.891	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCN(C(=O)CC)C2)C[C@H]1c1ccccc1	ZINC001211702952	808880531	/nfs/dbraw/zinc/88/05/31/808880531.db2.gz	MRPPSWODGRGUSS-SLFFLAALSA-N	1	0	367.493	1.852	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(Cc3cc(C#N)ccc3F)C[C@H]21	ZINC001075613567	809052922	/nfs/dbraw/zinc/05/29/22/809052922.db2.gz	HKKRCHDNOAPCTO-ZYSHUDEJSA-N	1	0	356.445	1.824	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CCC)NC(N)=O)C[C@H]1c1ccccc1	ZINC001211715867	809146731	/nfs/dbraw/zinc/14/67/31/809146731.db2.gz	VCMCKFKZGGLPJI-RCCFBDPRSA-N	1	0	356.470	1.431	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1c1ccccc1	ZINC001211722932	809313170	/nfs/dbraw/zinc/31/31/70/809313170.db2.gz	MJTMYMBKAYRZCR-PKOBYXMFSA-N	1	0	354.454	1.821	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+]	ZINC000418929705	809322661	/nfs/dbraw/zinc/32/26/61/809322661.db2.gz	WTOKSCBLZKICAK-WBVHZDCISA-N	1	0	374.510	1.541	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1	ZINC000418931971	809324291	/nfs/dbraw/zinc/32/42/91/809324291.db2.gz	FMKJJLCHRTWLRE-KRWDZBQOSA-N	1	0	359.470	1.891	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C	ZINC000418940803	809331160	/nfs/dbraw/zinc/33/11/60/809331160.db2.gz	UKJCHAJRNHGNOR-KRWDZBQOSA-N	1	0	359.470	1.762	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1	ZINC000418942329	809331682	/nfs/dbraw/zinc/33/16/82/809331682.db2.gz	XORRHHVPQNKGKK-UHFFFAOYSA-N	1	0	371.481	1.860	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2ccc[nH]2)C[C@H]1c1ccccc1	ZINC001211726133	809391940	/nfs/dbraw/zinc/39/19/40/809391940.db2.gz	MEFPAUWYWYABSG-RBUKOAKNSA-N	1	0	366.465	1.444	20	30		FDEDRO
C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1	ZINC000424008565	815291905	/nfs/dbraw/zinc/29/19/05/815291905.db2.gz	HGGZBPFWBTVFNY-HNNXBMFYSA-N	1	0	371.441	1.788	20	30		FDEDRO
O=C(NCC#Cc1cccc(C(F)(F)F)c1)C(=O)NCC1=CC[NH2+]CC1	ZINC000419107485	809564710	/nfs/dbraw/zinc/56/47/10/809564710.db2.gz	FLGDJIQPCPNVLC-UHFFFAOYSA-N	1	0	365.355	1.209	20	30		FDEDRO
CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000419110110	809570767	/nfs/dbraw/zinc/57/07/67/809570767.db2.gz	ICKKTLLMFMMPAH-HNNXBMFYSA-N	1	0	369.387	1.663	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)NC1CCN(C(=O)C2CC2)CC1	ZINC000261688303	809639795	/nfs/dbraw/zinc/63/97/95/809639795.db2.gz	RMOJTXVWTUWLDQ-KSZLIROESA-N	1	0	374.529	1.900	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1	ZINC000410692777	809652218	/nfs/dbraw/zinc/65/22/18/809652218.db2.gz	YWONAKXRJXPDKK-UHFFFAOYSA-N	1	0	365.518	1.762	20	30		FDEDRO
C[C@]1(C#N)CN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CCO1	ZINC000893739417	809692110	/nfs/dbraw/zinc/69/21/10/809692110.db2.gz	ALNGWBLQMQRCIY-JZXOWHBKSA-N	1	0	350.463	1.078	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(C(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)[C@H]2C1	ZINC000893957646	809834105	/nfs/dbraw/zinc/83/41/05/809834105.db2.gz	PWHYYSAURJHKKM-CPFNUKBASA-N	1	0	369.469	1.989	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)C[C@H]1c1ccccc1	ZINC001211738301	809930619	/nfs/dbraw/zinc/93/06/19/809930619.db2.gz	ATMJWQSZRAWHNG-IPMKNSEASA-N	1	0	355.482	1.755	20	30		FDEDRO
C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C(C)(C)COC)CC1	ZINC000424226676	815328643	/nfs/dbraw/zinc/32/86/43/815328643.db2.gz	YCZPXHOBQRKDHR-UHFFFAOYSA-N	1	0	373.505	1.802	20	30		FDEDRO
CN(C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCC[N@H+](C)C1	ZINC000894098286	809934461	/nfs/dbraw/zinc/93/44/61/809934461.db2.gz	GFGZTFWGFRAJEC-ROUUACIJSA-N	1	0	369.469	1.789	20	30		FDEDRO
CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)N[C@H]3CCC[C@@H]3C#N)CC2)C1	ZINC000332913352	809939071	/nfs/dbraw/zinc/93/90/71/809939071.db2.gz	RKWGCUCVKDEMAH-KURKYZTESA-N	1	0	363.506	1.115	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1	ZINC001087456204	810095851	/nfs/dbraw/zinc/09/58/51/810095851.db2.gz	IRTMAAIGHWOAAE-GUDVDZBRSA-N	1	0	371.456	1.792	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(C(N)=O)c2)C[C@H]1C(F)(F)F	ZINC001112122387	810109296	/nfs/dbraw/zinc/10/92/96/810109296.db2.gz	KPELHQIMSNOWNN-ZIAGYGMSSA-N	1	0	353.344	1.401	20	30		FDEDRO
C#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCN(C)C2=O)C1	ZINC001087457753	810206748	/nfs/dbraw/zinc/20/67/48/810206748.db2.gz	QATILSDFSGLRFV-FGTMMUONSA-N	1	0	357.429	1.211	20	30		FDEDRO
N#CCCn1cc(C[NH2+]C[C@H](O)C2CCOCC2)c(-c2ccncc2)n1	ZINC000433300446	810403300	/nfs/dbraw/zinc/40/33/00/810403300.db2.gz	FEEUEDLJXLHHTA-SFHVURJKSA-N	1	0	355.442	1.736	20	30		FDEDRO
Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(CCC#N)Cc2ccccn2)c1	ZINC000424472363	815367756	/nfs/dbraw/zinc/36/77/56/815367756.db2.gz	UWQVSOQPFGQYCF-UHFFFAOYSA-N	1	0	351.410	1.730	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)CN2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)c1	ZINC000419334063	810506525	/nfs/dbraw/zinc/50/65/25/810506525.db2.gz	UYVZVTCSYCZYCL-RTBURBONSA-N	1	0	372.513	1.937	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2nnc(C(C)C)[nH]2)C1	ZINC001028549713	810619189	/nfs/dbraw/zinc/61/91/89/810619189.db2.gz	WBJOZVDIVZKZJQ-XHSDSOJGSA-N	1	0	361.490	1.847	20	30		FDEDRO
C[C@@H]1CC[N@H+](CCNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1	ZINC000894186003	810856255	/nfs/dbraw/zinc/85/62/55/810856255.db2.gz	SMKDTNRFPSWKTQ-KFWWJZLASA-N	1	0	365.478	1.386	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CN2CN=NC2=O)C1	ZINC001087463344	811079727	/nfs/dbraw/zinc/07/97/27/811079727.db2.gz	FLNIDDLHOKYNQW-HZPDHXFCSA-N	1	0	359.405	1.283	20	30		FDEDRO
C[NH+]=C(NCc1cn2c(n1)CCCC2)N1CC[C@H](C(=O)OC(C)(C)C)C1	ZINC000261612138	811285412	/nfs/dbraw/zinc/28/54/12/811285412.db2.gz	ADYDLQWVBMCYMP-AWEZNQCLSA-N	1	0	361.490	1.958	20	30		FDEDRO
CNC(=O)CC1CCN(C(NC[C@@H]2CCOc3ccccc32)=[NH+]C)CC1	ZINC000261834257	811329492	/nfs/dbraw/zinc/32/94/92/811329492.db2.gz	VXMKMKLWBZCTCK-INIZCTEOSA-N	1	0	358.486	1.976	20	30		FDEDRO
C[NH+]=C(NC[C@@]1(O)CCc2ccccc21)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000261860931	811333581	/nfs/dbraw/zinc/33/35/81/811333581.db2.gz	YLRYJELLFNPXHT-UWJYYQICSA-N	1	0	372.513	1.050	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCCC2)N1CC[C@H](Oc2ccccn2)C1	ZINC000262017235	811368105	/nfs/dbraw/zinc/36/81/05/811368105.db2.gz	YAIXXEGNJNGZHX-AWEZNQCLSA-N	1	0	355.446	1.238	20	30		FDEDRO
Cc1nc2n(n1)CCC[C@H]2NC(NCc1nnc(C)n1C)=[NH+]C1CCCC1	ZINC000262015857	811368630	/nfs/dbraw/zinc/36/86/30/811368630.db2.gz	XSWFYSUQDBPDRS-OAHLLOKOSA-N	1	0	371.493	1.536	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000982827806	811397306	/nfs/dbraw/zinc/39/73/06/811397306.db2.gz	NVRXTSVVULPYSQ-JLJPHGGASA-N	1	0	357.458	1.195	20	30		FDEDRO
CC[NH+]=C(NCC1(C)CCCC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1	ZINC000261790639	811412943	/nfs/dbraw/zinc/41/29/43/811412943.db2.gz	QIRUBRUFDBDDQF-IBGZPJMESA-N	1	0	363.506	1.842	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCCC(=O)N2)C[C@H]1C(F)(F)F	ZINC001112128688	811416942	/nfs/dbraw/zinc/41/69/42/811416942.db2.gz	WZCHBVGPZAONFF-MGPQQGTHSA-N	1	0	361.408	1.990	20	30		FDEDRO
[NH2+]=C(NC[C@@H]1CCC2(CCCCC2)O1)N1CCN(c2ncccn2)CC1	ZINC000262331372	811443663	/nfs/dbraw/zinc/44/36/63/811443663.db2.gz	FITGUUPVUIJGHO-INIZCTEOSA-N	1	0	358.490	1.795	20	30		FDEDRO
C[NH+]=C(NCCn1cnc2ccccc21)N1CC[C@H](c2cnn(C)c2)C1	ZINC000262446025	811469329	/nfs/dbraw/zinc/46/93/29/811469329.db2.gz	IQMXWTMAJFSZKU-HNNXBMFYSA-N	1	0	351.458	1.835	20	30		FDEDRO
C[NH+]=C(NCc1cn2ccc(C)cc2n1)N1CC[C@H](c2cnn(C)c2)C1	ZINC000262452616	811471101	/nfs/dbraw/zinc/47/11/01/811471101.db2.gz	KCPRPQSDYLUDES-HNNXBMFYSA-N	1	0	351.458	1.941	20	30		FDEDRO
C[NH+]=C(NCc1cccc(CN2CCCC2=O)c1)N[C@H]1CCC(=O)N(C)C1	ZINC000262784262	811551613	/nfs/dbraw/zinc/55/16/13/811551613.db2.gz	MBYKEAOOEOSESQ-KRWDZBQOSA-N	1	0	371.485	1.095	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)O1	ZINC001028627336	811636888	/nfs/dbraw/zinc/63/68/88/811636888.db2.gz	BMROEKWNTUCMDY-JTDSTZFVSA-N	1	0	356.470	1.215	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cn1	ZINC000280622280	811873578	/nfs/dbraw/zinc/87/35/78/811873578.db2.gz	ZDJKCUKWXODYNP-CALCHBBNSA-N	1	0	368.462	1.706	20	30		FDEDRO
C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@H](CCC#N)c1ccccc1	ZINC000419479690	811971716	/nfs/dbraw/zinc/97/17/16/811971716.db2.gz	VBSYOACSFKSDCG-NUEKZKHPSA-N	1	0	358.442	1.377	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1	ZINC000366411549	811996059	/nfs/dbraw/zinc/99/60/59/811996059.db2.gz	YZBKKNOUEKWSKG-SFHVURJKSA-N	1	0	371.485	1.395	20	30		FDEDRO
N#CCCCCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1	ZINC000419650573	812074842	/nfs/dbraw/zinc/07/48/42/812074842.db2.gz	NOFVYZXILIOMRR-XJKSGUPXSA-N	1	0	364.396	1.337	20	30		FDEDRO
O=C(NCC#Cc1cccc(F)c1)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1	ZINC000419683163	812088951	/nfs/dbraw/zinc/08/89/51/812088951.db2.gz	WTJLPJQKFRGFDL-HKUYNNGSSA-N	1	0	371.456	1.674	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)NCCC[NH2+]C1CC1	ZINC000419848151	812230277	/nfs/dbraw/zinc/23/02/77/812230277.db2.gz	TTWFEGJNONMALG-QZTJIDSGSA-N	1	0	354.454	1.543	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1	ZINC000983304705	815529084	/nfs/dbraw/zinc/52/90/84/815529084.db2.gz	WAAYGDYMUROLGN-BBWFWOEESA-N	1	0	363.502	1.274	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC[NH2+]1	ZINC000420099132	813454393	/nfs/dbraw/zinc/45/43/93/813454393.db2.gz	BKPOVMADAGRJLB-KDOFPFPSSA-N	1	0	352.438	1.431	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C	ZINC000420093023	813469112	/nfs/dbraw/zinc/46/91/12/813469112.db2.gz	CNFOZZHEWKNYAZ-CZUORRHYSA-N	1	0	360.414	1.224	20	30		FDEDRO
CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1	ZINC000420151685	813512609	/nfs/dbraw/zinc/51/26/09/813512609.db2.gz	YQLLFSOTDFXLLS-DLBZAZTESA-N	1	0	358.442	1.092	20	30		FDEDRO
CC[NH+]=C(NCCC1=CCCC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1	ZINC000261838598	814095999	/nfs/dbraw/zinc/09/59/99/814095999.db2.gz	WISPYGIZJIXROE-LJQANCHMSA-N	1	0	361.490	1.762	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](CO)[C@H]1C)C(C)C	ZINC000421742617	814288609	/nfs/dbraw/zinc/28/86/09/814288609.db2.gz	SNMBSWNIXOYWRB-FGTMMUONSA-N	1	0	365.518	1.421	20	30		FDEDRO
C[NH+]=C(N[C@@H]1C[C@H]1Cc1ccccc1)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261850214	814338583	/nfs/dbraw/zinc/33/85/83/814338583.db2.gz	XFLADQLZQVYMEB-SJLPKXTDSA-N	1	0	366.469	1.275	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(C)cc1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1	ZINC000261853230	814438809	/nfs/dbraw/zinc/43/88/09/814438809.db2.gz	YGRLXRACHBWALB-FQEVSTJZSA-N	1	0	371.485	1.771	20	30		FDEDRO
CN1c2ccccc2N(C)C1=C1C(=N)N(CC2=CC[N@H+](C)CC2)CC1=O	ZINC000271844798	814494877	/nfs/dbraw/zinc/49/48/77/814494877.db2.gz	UJXLPXNTJXEDMB-UHFFFAOYSA-N	1	0	351.454	1.908	20	30		FDEDRO
Cc1cc(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)nn1CCC#N	ZINC000272046089	814555731	/nfs/dbraw/zinc/55/57/31/814555731.db2.gz	GNLJIBJLRTUQNE-IRXDYDNUSA-N	1	0	374.489	1.995	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000272460517	814713627	/nfs/dbraw/zinc/71/36/27/814713627.db2.gz	CLRKWOBSMJUYHG-XJKCOSOUSA-N	1	0	356.426	1.515	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCCO3)C[C@H]1C(F)(F)F	ZINC001112130240	814800370	/nfs/dbraw/zinc/80/03/70/814800370.db2.gz	IVMKHUHUKQJCMZ-DGCLKSJQSA-N	1	0	358.364	1.834	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1	ZINC000505463312	815661594	/nfs/dbraw/zinc/66/15/94/815661594.db2.gz	AHKDELUZECPQPV-DNVCBOLYSA-N	1	0	367.490	1.721	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NC1CCCC1	ZINC001167956567	815775020	/nfs/dbraw/zinc/77/50/20/815775020.db2.gz	CHVWUAZEAREGNB-NJAFHUGGSA-N	1	0	365.518	1.901	20	30		FDEDRO
C[C@H]1CCCN(C(=O)CN2C[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)C1	ZINC001075710058	815776757	/nfs/dbraw/zinc/77/67/57/815776757.db2.gz	WEHDLQOIWYRXHV-RLFYNMQTSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2nnc(C(C)(C)C)o2)C1	ZINC001028812574	815815392	/nfs/dbraw/zinc/81/53/92/815815392.db2.gz	GRDLFGPXEYJHTI-ZNMIVQPWSA-N	1	0	362.474	1.896	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc2c(c1)nnn2C	ZINC001167956929	815832795	/nfs/dbraw/zinc/83/27/95/815832795.db2.gz	PJVLCAOAEYQRAK-LPHOPBHVSA-N	1	0	371.485	1.936	20	30		FDEDRO
C[C@@H](CO)[N@@H+]1CCCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1	ZINC000434980979	815868208	/nfs/dbraw/zinc/86/82/08/815868208.db2.gz	CHZYJHGNIDIRMW-KRWDZBQOSA-N	1	0	368.485	1.747	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@@H]3C[C@H]3C3CC[NH2+]CC3)CC2)c1C#N	ZINC000514663213	815921586	/nfs/dbraw/zinc/92/15/86/815921586.db2.gz	HIILZGMAZHMIFH-GOEBONIOSA-N	1	0	374.514	1.543	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1	ZINC000425491772	816366299	/nfs/dbraw/zinc/36/62/99/816366299.db2.gz	QYYFWBZXNHAFCU-WDSOQIARSA-N	1	0	359.470	1.644	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](OC)c2cnn(C)c2)C[C@H]1C(F)(F)F	ZINC001112137753	816665326	/nfs/dbraw/zinc/66/53/26/816665326.db2.gz	CEHLKBAGIZPGIA-MCIONIFRSA-N	1	0	358.364	1.110	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOC)C1	ZINC001112137837	816701633	/nfs/dbraw/zinc/70/16/33/816701633.db2.gz	HAQDOOGKOCEVTD-UMVBOHGHSA-N	1	0	352.397	1.841	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)N1CCc2ccc(C#N)cc21)[N@@H+]1CCCC[C@H]1C	ZINC000516319579	816754330	/nfs/dbraw/zinc/75/43/30/816754330.db2.gz	CLQMGWMTAMSWMG-HUUCEWRRSA-N	1	0	354.454	1.826	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4c(C)ccn4C)[C@@H]3C2)C1=O	ZINC001075731136	816761671	/nfs/dbraw/zinc/76/16/71/816761671.db2.gz	XDXDMIRPPBYVJV-GVDBMIGSSA-N	1	0	356.470	1.267	20	30		FDEDRO
C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC(CCC#N)CC1	ZINC000516567469	816901987	/nfs/dbraw/zinc/90/19/87/816901987.db2.gz	HQGAFMGPLGKDMA-INIZCTEOSA-N	1	0	356.474	1.529	20	30		FDEDRO
C=CCn1cc(CNC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)nn1	ZINC000516863726	817068445	/nfs/dbraw/zinc/06/84/45/817068445.db2.gz	PNPHVQSTMMIGMP-UHFFFAOYSA-N	1	0	354.458	1.882	20	30		FDEDRO
C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)N[C@@H]3CC[C@H](C#N)C3)cccc21	ZINC000425806552	817091853	/nfs/dbraw/zinc/09/18/53/817091853.db2.gz	AXXZGZIZGWPURB-ZENOOKHLSA-N	1	0	356.426	1.819	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCCCCC1	ZINC000425857626	817242504	/nfs/dbraw/zinc/24/25/04/817242504.db2.gz	BCADOWNLJAHQQY-KSZLIROESA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCn1cc(CNC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)nn1	ZINC000425885690	817315975	/nfs/dbraw/zinc/31/59/75/817315975.db2.gz	YDVNSQULZHMAQM-UHFFFAOYSA-N	1	0	369.473	1.917	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H](C(CC)CC)[NH+]1CCCC1	ZINC000425907183	817358338	/nfs/dbraw/zinc/35/83/38/817358338.db2.gz	BOFCIBRIDIJJPL-BZSNNMDCSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1	ZINC000425906963	817359570	/nfs/dbraw/zinc/35/95/70/817359570.db2.gz	AODHPGBGXXGOBK-MVJTYMMSSA-N	1	0	361.486	1.169	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1	ZINC000438006453	817430897	/nfs/dbraw/zinc/43/08/97/817430897.db2.gz	NVOGREVDVSFIMU-AEFFLSMTSA-N	1	0	366.506	1.163	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C	ZINC000517423816	817432456	/nfs/dbraw/zinc/43/24/56/817432456.db2.gz	BHKFDVSGUHDUNT-OKILXGFUSA-N	1	0	358.442	1.884	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1	ZINC000517511950	817473813	/nfs/dbraw/zinc/47/38/13/817473813.db2.gz	AJCVLWWHCDHTRY-CYBMUJFWSA-N	1	0	356.426	1.448	20	30		FDEDRO
C[NH+]=C(NCc1cccc(OCC(=O)N(C)C)c1)N1CC[C@@]2(CCOC2)C1	ZINC000261968968	817860244	/nfs/dbraw/zinc/86/02/44/817860244.db2.gz	MFYMNDYXAAXRQO-HXUWFJFHSA-N	1	0	374.485	1.341	20	30		FDEDRO
CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(C#N)ccn1	ZINC000506534613	817921487	/nfs/dbraw/zinc/92/14/87/817921487.db2.gz	XTRWGMRUZCCAHT-FQEVSTJZSA-N	1	0	350.422	1.662	20	30		FDEDRO
N#Cc1ccc([C@H]([NH2+]CCCN2c3ccccc3OCC2=O)C(N)=O)cc1	ZINC000439616473	818021344	/nfs/dbraw/zinc/02/13/44/818021344.db2.gz	RPMQFBQRAPRWLA-IBGZPJMESA-N	1	0	364.405	1.490	20	30		FDEDRO
C[C@@H]1CC[N@H+](CCNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000894422891	818038279	/nfs/dbraw/zinc/03/82/79/818038279.db2.gz	OEUDMNFVRCDSOV-QAPCUYQASA-N	1	0	369.469	1.300	20	30		FDEDRO
Cn1nc2c(c1CN(CC[NH+](C)C)Cc1ccc(C#N)cc1)COCC2	ZINC000894451143	818067754	/nfs/dbraw/zinc/06/77/54/818067754.db2.gz	CRDPQXRURGGBCG-UHFFFAOYSA-N	1	0	353.470	1.928	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2nnc[nH]2)C1	ZINC001087476071	818343770	/nfs/dbraw/zinc/34/37/70/818343770.db2.gz	RIJCRACDWDXFQO-IRXDYDNUSA-N	1	0	353.426	1.425	20	30		FDEDRO
C#CCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C[NH+]2CCCC2)C1	ZINC001087476925	818393523	/nfs/dbraw/zinc/39/35/23/818393523.db2.gz	MIDQOIPYESXJBW-PMACEKPBSA-N	1	0	355.482	1.698	20	30		FDEDRO
N#CCNC(=O)CNC(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000894821766	818509854	/nfs/dbraw/zinc/50/98/54/818509854.db2.gz	ZUXFQKKJPUFZAJ-SQNIBIBYSA-N	1	0	369.469	1.226	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnc(C)n2CC)C1	ZINC000983698433	818593993	/nfs/dbraw/zinc/59/39/93/818593993.db2.gz	MMSURSFZFRRURR-VQHPVUNQSA-N	1	0	361.490	1.572	20	30		FDEDRO
N#CCOc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@]34C[C@H]3COC4)C2)cc1	ZINC000983717886	818668019	/nfs/dbraw/zinc/66/80/19/818668019.db2.gz	KSNJFTHMAHSAJL-BOSXTWCSSA-N	1	0	355.438	1.610	20	30		FDEDRO
N#CCC[C@@H](C#N)CNCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1	ZINC000519697880	819007061	/nfs/dbraw/zinc/00/70/61/819007061.db2.gz	JKWAXYLXQBUMCB-SFHVURJKSA-N	1	0	353.470	1.917	20	30		FDEDRO
C[C@@H]1CCN(C(=O)CCc2ncc[nH]2)[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1	ZINC000983754825	819048813	/nfs/dbraw/zinc/04/88/13/819048813.db2.gz	AWHNJFBUTYZNKX-CJNGLKHVSA-N	1	0	368.441	1.599	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1	ZINC000415799162	819112418	/nfs/dbraw/zinc/11/24/18/819112418.db2.gz	BWYBXOLLBLEWGK-MSOLQXFVSA-N	1	0	373.453	1.545	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(=O)[nH]n2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087491866	819137844	/nfs/dbraw/zinc/13/78/44/819137844.db2.gz	UGGMDKDRPRMTDB-DOTOQJQBSA-N	1	0	351.410	1.837	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000520317628	819302083	/nfs/dbraw/zinc/30/20/83/819302083.db2.gz	DUQCGGIBFCPXMT-QGZVFWFLSA-N	1	0	366.469	1.846	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]C[C@@H](O)COCC(C)C	ZINC001167990780	819397086	/nfs/dbraw/zinc/39/70/86/819397086.db2.gz	BQMOVPINCPNJKJ-SQNIBIBYSA-N	1	0	356.507	1.487	20	30		FDEDRO
CCOC(=O)Cn1cc(C[NH2+]CC(C)(C)CC#N)c(-c2cnn(C)c2)n1	ZINC000894986370	819445400	/nfs/dbraw/zinc/44/54/00/819445400.db2.gz	NXNIYUYMVAQQOH-UHFFFAOYSA-N	1	0	358.446	1.876	20	30		FDEDRO
O=C(NC[C@@H]1CCCn2ccnc21)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000328617995	819518929	/nfs/dbraw/zinc/51/89/29/819518929.db2.gz	URZALBHLDJXPAJ-UAGQMJEPSA-N	1	0	361.490	1.642	20	30		FDEDRO
O=C(NC1CC[NH+](Cc2ccccn2)CC1)N1CCN(C2CC2)C(=O)C1	ZINC000328650826	819522690	/nfs/dbraw/zinc/52/26/90/819522690.db2.gz	BDKLPTLNYYIDMP-UHFFFAOYSA-N	1	0	357.458	1.267	20	30		FDEDRO
C[C@@H]1CCC[N@H+](CCNC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)C1	ZINC000328856601	819567704	/nfs/dbraw/zinc/56/77/04/819567704.db2.gz	KHAJUIPADMCBLE-SJORKVTESA-N	1	0	366.506	1.203	20	30		FDEDRO
CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)N(CC(=O)NC2CC[NH+](C(C)C)CC2)C1	ZINC000328937244	819584137	/nfs/dbraw/zinc/58/41/37/819584137.db2.gz	JUBVDFYVZSCPJW-CVEARBPZSA-N	1	0	364.494	1.704	20	30		FDEDRO
C[C@H]1CN(CC(=O)Nc2ccc3c(c2)OCO3)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000328949270	819586776	/nfs/dbraw/zinc/58/67/76/819586776.db2.gz	NAIJIGAWTRHPSC-DOTOQJQBSA-N	1	0	374.485	1.961	20	30		FDEDRO
NC(=O)N[C@H]1CCN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1	ZINC000328907054	819589514	/nfs/dbraw/zinc/58/95/14/819589514.db2.gz	BWAKUOVXAGXVDX-HNNXBMFYSA-N	1	0	367.494	1.340	20	30		FDEDRO
O=C(CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCCCC1	ZINC000328912515	819592006	/nfs/dbraw/zinc/59/20/06/819592006.db2.gz	PBCZDOIUCYAMPN-SJORKVTESA-N	1	0	366.506	1.270	20	30		FDEDRO
Cc1nc(C(=O)N(C)C)ccc1C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1	ZINC000330613238	819625023	/nfs/dbraw/zinc/62/50/23/819625023.db2.gz	YPJZXGHRGHGFAE-HNNXBMFYSA-N	1	0	362.474	1.753	20	30		FDEDRO
CNC(=O)c1cccc(CCC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)c1	ZINC000331029948	819659086	/nfs/dbraw/zinc/65/90/86/819659086.db2.gz	SAPFNSVUVJUVJX-OAHLLOKOSA-N	1	0	361.486	1.857	20	30		FDEDRO
CC[C@@H]1CN(C(=O)Nc2ccnc(C(=O)N(C)C)c2)CC[N@@H+]1C[C@H](C)O	ZINC000331140681	819666902	/nfs/dbraw/zinc/66/69/02/819666902.db2.gz	KFFFAGPUBLLBMA-DZGCQCFKSA-N	1	0	363.462	1.106	20	30		FDEDRO
CCNC(=O)N(C)c1cccc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)c1	ZINC000331211416	819671317	/nfs/dbraw/zinc/67/13/17/819671317.db2.gz	IZCMRFIGSLHOTE-MRXNPFEDSA-N	1	0	363.462	1.865	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CCN(C2CC[NH+](C(C)C)CC2)CC1	ZINC000331304438	819677668	/nfs/dbraw/zinc/67/76/68/819677668.db2.gz	QVQKHUBHXYWOOE-INIZCTEOSA-N	1	0	365.522	1.082	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnn(C)c3C)[C@H]2CC)C1=O	ZINC001087504479	819763668	/nfs/dbraw/zinc/76/36/68/819763668.db2.gz	IKINQZINIGWWHC-BBWFWOEESA-N	1	0	359.474	1.098	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)c2cn[nH]c2)CC1	ZINC000983851206	819786659	/nfs/dbraw/zinc/78/66/59/819786659.db2.gz	OONZQGRFJNKGPA-QAPCUYQASA-N	1	0	371.485	1.112	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH+]1CCN(C(=O)CC#N)CC1	ZINC000895065699	819836706	/nfs/dbraw/zinc/83/67/06/819836706.db2.gz	HPLZJBUDWYALEU-HNNXBMFYSA-N	1	0	352.479	1.841	20	30		FDEDRO
C[C@@H](Cc1cnn(C)c1)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000459068180	819913916	/nfs/dbraw/zinc/91/39/16/819913916.db2.gz	MYYNEQAIODMDBD-INIZCTEOSA-N	1	0	368.485	1.996	20	30		FDEDRO
CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1)[NH+](C)C	ZINC000983883871	819920061	/nfs/dbraw/zinc/92/00/61/819920061.db2.gz	VEGOMRNUDDEHOQ-UKPHBRMFSA-N	1	0	359.474	1.583	20	30		FDEDRO
C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NCc2ccc(C#N)c(F)c2)CC1	ZINC000459101858	819985147	/nfs/dbraw/zinc/98/51/47/819985147.db2.gz	ACBGBQPNFJVIOV-CQSZACIVSA-N	1	0	362.449	1.932	20	30		FDEDRO
CO[C@@H](C[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1)c1ccccc1	ZINC001083413520	820019253	/nfs/dbraw/zinc/01/92/53/820019253.db2.gz	SBCMXRAVBFGFCS-SQNIBIBYSA-N	1	0	354.410	1.049	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccccc3O)[C@H]2CC)C1=O	ZINC001087506633	820021652	/nfs/dbraw/zinc/02/16/52/820021652.db2.gz	FOVDYFXZDUKOKY-BBWFWOEESA-N	1	0	357.454	1.762	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC000983914508	820056245	/nfs/dbraw/zinc/05/62/45/820056245.db2.gz	KIEQDDYLARRTTP-GKEYINFOSA-N	1	0	361.417	1.486	20	30		FDEDRO
Cc1cc(C)c(C[N@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)c(C)c1	ZINC001083414752	820221309	/nfs/dbraw/zinc/22/13/09/820221309.db2.gz	TVTGFCNZXDFBSB-MOPGFXCFSA-N	1	0	352.438	1.787	20	30		FDEDRO
CCO[C@@H]1COC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000459122460	820267931	/nfs/dbraw/zinc/26/79/31/820267931.db2.gz	SQRKMJAHZGTWBS-QZTJIDSGSA-N	1	0	360.458	1.435	20	30		FDEDRO
C=CC[C@@H](Cc1ccccc1)NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C	ZINC000665151011	820365836	/nfs/dbraw/zinc/36/58/36/820365836.db2.gz	NMFGKTQQCIHCPZ-SFHVURJKSA-N	1	0	360.502	1.835	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccc(F)nc3)[C@H]2CC)C1=O	ZINC001087522650	820395810	/nfs/dbraw/zinc/39/58/10/820395810.db2.gz	PMLAKDWZTHADOC-XHSDSOJGSA-N	1	0	360.433	1.590	20	30		FDEDRO
Cn1cnc(CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1	ZINC000459189850	820620850	/nfs/dbraw/zinc/62/08/50/820620850.db2.gz	WTYWMDYTAUFHDH-UHFFFAOYSA-N	1	0	354.458	1.608	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C[C@H]1CCc2ncnn21	ZINC001087535343	820922905	/nfs/dbraw/zinc/92/29/05/820922905.db2.gz	FIXRHVUQHAOQNX-IJEWVQPXSA-N	1	0	353.430	1.248	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000984115777	820982416	/nfs/dbraw/zinc/98/24/16/820982416.db2.gz	OBTNGRNGWDPFEN-OKZBNKHCSA-N	1	0	371.485	1.680	20	30		FDEDRO
C[NH+]1CCN(CCNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1	ZINC000521103381	821087271	/nfs/dbraw/zinc/08/72/71/821087271.db2.gz	MJKBIRXITJMSGE-UHFFFAOYSA-N	1	0	365.437	1.723	20	30		FDEDRO
C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CCCN(O)C1=O	ZINC000895160222	821209619	/nfs/dbraw/zinc/20/96/19/821209619.db2.gz	LCLZKVIZBWALSI-BBRMVZONSA-N	1	0	359.426	1.811	20	30		FDEDRO
C[NH2+]C[C@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000521590773	821305990	/nfs/dbraw/zinc/30/59/90/821305990.db2.gz	IOXQOELIFFTQJT-MSOLQXFVSA-N	1	0	369.469	1.300	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cnn(C)c2N)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087550460	821361278	/nfs/dbraw/zinc/36/12/78/821361278.db2.gz	AEPNQBDFBWDUAQ-DLBZAZTESA-N	1	0	352.442	1.657	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001059337081	821421995	/nfs/dbraw/zinc/42/19/95/821421995.db2.gz	AEJDOXJPMTVGMV-IXDOHACOSA-N	1	0	351.491	1.274	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(=O)n(C)o2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087555631	821438388	/nfs/dbraw/zinc/43/83/88/821438388.db2.gz	ULZLMRPBCLXOFS-DLBZAZTESA-N	1	0	353.422	1.613	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)Cn2nccn2)CC[N@@H+]1Cc1ccc(OC)c(C#N)c1	ZINC001087587347	821615629	/nfs/dbraw/zinc/61/56/29/821615629.db2.gz	KEYDTQKGRDQUGV-DLBZAZTESA-N	1	0	368.441	1.328	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@]2(C)CCNC(=O)C2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087622144	821779242	/nfs/dbraw/zinc/77/92/42/821779242.db2.gz	XKPNDCVQHZVLKJ-NNMXDRDESA-N	1	0	367.493	1.924	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCC(=O)N2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087759086	822373018	/nfs/dbraw/zinc/37/30/18/822373018.db2.gz	BDOWQUJVVCGIFH-FGTMMUONSA-N	1	0	354.454	1.696	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087759196	822373231	/nfs/dbraw/zinc/37/32/31/822373231.db2.gz	FXGZVJFYKXXDEG-OKZBNKHCSA-N	1	0	354.454	1.696	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCc2ccncc2)C[C@H]1C(F)(F)F	ZINC001112167841	822453332	/nfs/dbraw/zinc/45/33/32/822453332.db2.gz	IGYBKBWFQKXNNP-NWANDNLSSA-N	1	0	355.360	1.599	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCc2ccncc2)C[C@H]1C(F)(F)F	ZINC001112167840	822453518	/nfs/dbraw/zinc/45/35/18/822453518.db2.gz	IGYBKBWFQKXNNP-BPLDGKMQSA-N	1	0	355.360	1.599	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCc3ccnn3C)[C@@H]2CC)nc1	ZINC001087800385	822459449	/nfs/dbraw/zinc/45/94/49/822459449.db2.gz	PBFUNLXXPLGPSH-PKOBYXMFSA-N	1	0	351.454	1.622	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CCCC4=O)C[C@@H]3C2)cc1	ZINC001087879455	822697198	/nfs/dbraw/zinc/69/71/98/822697198.db2.gz	QBUOQRVNTCZZBG-MOPGFXCFSA-N	1	0	366.465	1.461	20	30		FDEDRO
N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)c1	ZINC000895686618	822698806	/nfs/dbraw/zinc/69/88/06/822698806.db2.gz	TWIXBWRTYYZNMA-QGZVFWFLSA-N	1	0	363.893	1.493	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cc[nH]n4)C[C@@H]3C2)cc1	ZINC001087893635	822746901	/nfs/dbraw/zinc/74/69/01/822746901.db2.gz	PRMMSLYGFJQBIT-SJORKVTESA-N	1	0	365.437	1.906	20	30		FDEDRO
CO[C@H](C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)CC[C@@H]2C1	ZINC001087901418	822772662	/nfs/dbraw/zinc/77/26/62/822772662.db2.gz	JFZOZEBUFZPKMU-NXHRZFHOSA-N	1	0	357.454	1.904	20	30		FDEDRO
C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1	ZINC001088329053	828581560	/nfs/dbraw/zinc/58/15/60/828581560.db2.gz	MPTDEBLPCPOTMD-OTWHNJEPSA-N	1	0	358.486	1.882	20	30		FDEDRO
Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]3C2)ncn1	ZINC001087925599	823938180	/nfs/dbraw/zinc/93/81/80/823938180.db2.gz	VFYAYPHBNYELES-CVEARBPZSA-N	1	0	350.426	1.579	20	30		FDEDRO
CCn1cc(CC[N@@H+]2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]3C2)cn1	ZINC001087940435	824036482	/nfs/dbraw/zinc/03/64/82/824036482.db2.gz	IZTVVGHKJUSAMC-AEFFLSMTSA-N	1	0	366.469	1.739	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4cncnc4)C[C@@H]3C2)cc1	ZINC001087949214	824085072	/nfs/dbraw/zinc/08/50/72/824085072.db2.gz	PDWDFTNJALGBGZ-UXHICEINSA-N	1	0	361.449	1.871	20	30		FDEDRO
C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1	ZINC001087962060	824182685	/nfs/dbraw/zinc/18/26/85/824182685.db2.gz	WIIWYDWPCOIFPD-QRQLOZEOSA-N	1	0	357.498	1.581	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(c4ccccn4)C[C@H]3C)C[C@@H]2C1	ZINC001087969874	824265349	/nfs/dbraw/zinc/26/53/49/824265349.db2.gz	SKSBNPLFPLQNRD-YSTOQKLRSA-N	1	0	366.509	1.958	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC3CC3)CC[C@@H]2C1	ZINC001087978429	824339630	/nfs/dbraw/zinc/33/96/30/824339630.db2.gz	BACPYTYKRVLTHF-KGLIPLIRSA-N	1	0	353.894	1.824	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]2C1	ZINC001087978719	824340074	/nfs/dbraw/zinc/34/00/74/824340074.db2.gz	PPBDKJMSEBLDKV-CABCVRRESA-N	1	0	368.909	1.571	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Br)n[nH]3)C[C@@H]2C1	ZINC001087984880	824467184	/nfs/dbraw/zinc/46/71/84/824467184.db2.gz	VPQQQTJTUAGTME-NEPJUHHUSA-N	1	0	351.248	1.589	20	30		FDEDRO
Cc1noc([C@H](NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C2CCOCC2)n1	ZINC000329012749	824533721	/nfs/dbraw/zinc/53/37/21/824533721.db2.gz	FBIQVZDLGMUCPU-CZUORRHYSA-N	1	0	363.462	1.834	20	30		FDEDRO
CC(C)N1C(=O)N[C@@H]2CN(CC(=O)N(C)C3(C#N)CCCCC3)CC[C@@H]21	ZINC000329041802	824543225	/nfs/dbraw/zinc/54/32/25/824543225.db2.gz	SYHVAYAJJXMUMW-CVEARBPZSA-N	1	0	361.490	1.752	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1	ZINC000329045884	824546250	/nfs/dbraw/zinc/54/62/50/824546250.db2.gz	JMFJVBQBMVVBCI-NCOADZHNSA-N	1	0	366.506	1.485	20	30		FDEDRO
CN1CCOC[C@H]1C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1	ZINC000329102481	824587559	/nfs/dbraw/zinc/58/75/59/824587559.db2.gz	CZKSJUISZBVQNR-KRWDZBQOSA-N	1	0	360.458	1.383	20	30		FDEDRO
Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000329104929	824589874	/nfs/dbraw/zinc/58/98/74/824589874.db2.gz	CTRKUSWGENLBHH-IKGGRYGDSA-N	1	0	361.490	1.951	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1	ZINC000329108131	824592947	/nfs/dbraw/zinc/59/29/47/824592947.db2.gz	FNAGALMCFAIVHA-APWZRJJASA-N	1	0	366.506	1.224	20	30		FDEDRO
C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CNC(=O)NCc1ccc(F)cc1	ZINC000329121593	824611470	/nfs/dbraw/zinc/61/14/70/824611470.db2.gz	QQKWBFAGRKMPGG-PBHICJAKSA-N	1	0	362.449	1.915	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@@H]([NH+]3CCCC3)C2)CC1	ZINC000329160740	824637443	/nfs/dbraw/zinc/63/74/43/824637443.db2.gz	FJBMYRBSBRIKRG-RTBURBONSA-N	1	0	361.534	1.239	20	30		FDEDRO
C[C@H](OC[C@@H]1CCCCO1)C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1	ZINC000329162063	824638526	/nfs/dbraw/zinc/63/85/26/824638526.db2.gz	FWODBLNMFPLSTH-BHYGNILZSA-N	1	0	367.490	1.612	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC001059427069	824651989	/nfs/dbraw/zinc/65/19/89/824651989.db2.gz	DLTYAIJVTWPVNF-IIAWOOMASA-N	1	0	357.458	1.195	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccn(C)c(=O)c1	ZINC001029480694	824652505	/nfs/dbraw/zinc/65/25/05/824652505.db2.gz	GIFODAHCHMRLNX-XDNAFOTISA-N	1	0	357.454	1.152	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)c3cccc(-c4nc[nH]n4)c3)CC2)C1=O	ZINC000329196948	824661538	/nfs/dbraw/zinc/66/15/38/824661538.db2.gz	UZVWFYDHPDHCEH-INIZCTEOSA-N	1	0	368.441	1.471	20	30		FDEDRO
C[C@H](CNC(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1)C[NH+]1CCCC1	ZINC000329203181	824665480	/nfs/dbraw/zinc/66/54/80/824665480.db2.gz	CNZQZKJZXYTOLW-SJORKVTESA-N	1	0	365.522	1.902	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(C(CC)CC)C3)C[C@@H]2C1	ZINC001087985654	824672483	/nfs/dbraw/zinc/67/24/83/824672483.db2.gz	YHBFSGNEPXRHGL-KURKYZTESA-N	1	0	359.514	1.827	20	30		FDEDRO
Cc1nc2n(n1)CCN(C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C2	ZINC000329268969	824703342	/nfs/dbraw/zinc/70/33/42/824703342.db2.gz	DZOHTXDZPHDBGR-WMLDXEAASA-N	1	0	372.477	1.133	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(OC)nc2)C1	ZINC001029847485	828684800	/nfs/dbraw/zinc/68/48/00/828684800.db2.gz	UBXRQYQKYVRNIB-KURKYZTESA-N	1	0	359.470	1.962	20	30		FDEDRO
CC(C)N1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1=O	ZINC000329310150	824730076	/nfs/dbraw/zinc/73/00/76/824730076.db2.gz	FTCQGBYYAZWRLI-SJORKVTESA-N	1	0	366.506	1.221	20	30		FDEDRO
[O-]C(=[NH+][C@H]1COC[C@H]1n1ccnn1)N1CC[NH+](CC2CCCCC2)CC1	ZINC000329320709	824736797	/nfs/dbraw/zinc/73/67/97/824736797.db2.gz	FBGBREINUPMBTG-DLBZAZTESA-N	1	0	362.478	1.330	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccc(C4(C#N)CC4)cc3)CC2)C1=O	ZINC000329324791	824738214	/nfs/dbraw/zinc/73/82/14/824738214.db2.gz	IIGVRUHZQJQWJI-GOSISDBHSA-N	1	0	366.465	1.667	20	30		FDEDRO
CN1CCN(C(=O)c2cc(NC(=O)NCC3(C4CC4)CC3)ccn2)CC1	ZINC000329466670	824813323	/nfs/dbraw/zinc/81/33/23/824813323.db2.gz	VQYRZFMKYLZTEB-UHFFFAOYSA-N	1	0	357.458	1.985	20	30		FDEDRO
C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000329496498	824837220	/nfs/dbraw/zinc/83/72/20/824837220.db2.gz	JBNXHKUIWBVKNX-IKGGRYGDSA-N	1	0	365.522	1.853	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@H]3CCCCNC3=O)CC2)CC1	ZINC000329507064	824840529	/nfs/dbraw/zinc/84/05/29/824840529.db2.gz	LRXVYBYBFLKRQA-KRWDZBQOSA-N	1	0	365.522	1.900	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)CC[NH+]1CCCCC1	ZINC000984783777	824901404	/nfs/dbraw/zinc/90/14/04/824901404.db2.gz	VOQPTRZYETUBEL-FUHWJXTLSA-N	1	0	371.485	1.872	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)n3nnnc3C(C)(C)C)C[C@@H]2C1	ZINC001087989704	824929909	/nfs/dbraw/zinc/92/99/09/824929909.db2.gz	SPDLDVGBEOBVHI-XHSDSOJGSA-N	1	0	358.490	1.335	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2C[N@H+](Cc3cnnn3CC)CC[C@@H]2C1	ZINC001087992562	824954943	/nfs/dbraw/zinc/95/49/43/824954943.db2.gz	ADKSZHJETYMLSW-SJORKVTESA-N	1	0	368.485	1.880	20	30		FDEDRO
N#CC[C@H](CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccccc1	ZINC000475652257	828754561	/nfs/dbraw/zinc/75/45/61/828754561.db2.gz	AVBJSMUYLNNTDS-LJQANCHMSA-N	1	0	368.481	1.841	20	30		FDEDRO
N#Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cn[nH]n4)C[C@@H]3C2)ccc1F	ZINC001088022905	825358678	/nfs/dbraw/zinc/35/86/78/825358678.db2.gz	FWEZNIXZVIVFAH-HIFRSBDPSA-N	1	0	354.389	1.410	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]1C(F)(F)F	ZINC001112174027	825400186	/nfs/dbraw/zinc/40/01/86/825400186.db2.gz	ZIXNXBNWBSYZCC-GHMZBOCLSA-N	1	0	356.410	1.365	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)C[C@@H]1C	ZINC000329782117	825450979	/nfs/dbraw/zinc/45/09/79/825450979.db2.gz	NSFQIFGLEPFANI-HRCADAONSA-N	1	0	366.506	1.221	20	30		FDEDRO
C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCN3CCOC[C@@H]3C2)CC1	ZINC000329790746	825458369	/nfs/dbraw/zinc/45/83/69/825458369.db2.gz	UCERYRBZADYNGU-APWZRJJASA-N	1	0	373.501	1.537	20	30		FDEDRO
Cc1c([C@@H]2[C@H](C(=O)N[C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)CC(=O)N2C)cnn1C	ZINC000329870458	825515842	/nfs/dbraw/zinc/51/58/42/825515842.db2.gz	ABPMFKRXXIPQNR-GQMGFTQMSA-N	1	0	359.474	1.830	20	30		FDEDRO
CC(C)CNC(=O)N1CCC[C@H](CC(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)C1	ZINC000329931534	825550192	/nfs/dbraw/zinc/55/01/92/825550192.db2.gz	IHXICVSNGGHTTF-IKGGRYGDSA-N	1	0	366.506	1.200	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cc(F)c[nH]4)C[C@@H]3C2)C1=O	ZINC001088044202	825554264	/nfs/dbraw/zinc/55/42/64/825554264.db2.gz	HJUAPIQPZLWZSI-JKIFEVAISA-N	1	0	360.433	1.335	20	30		FDEDRO
CCN1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)C[C@@H]1c1ncc[nH]1	ZINC000329972756	825572422	/nfs/dbraw/zinc/57/24/22/825572422.db2.gz	WJTABUMHUBZNCR-QGZVFWFLSA-N	1	0	360.506	1.877	20	30		FDEDRO
C[C@H](NC(=O)NC[C@@H]1C[C@H](F)CN1c1cccnn1)C1=CC[N@H+](C)CC1	ZINC000329990740	825584379	/nfs/dbraw/zinc/58/43/79/825584379.db2.gz	WMEDQQRRGMLURC-BPUTZDHNSA-N	1	0	362.453	1.547	20	30		FDEDRO
C[C@H](CNC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1)C[NH+]1CCN(C)CC1	ZINC000329994493	825585226	/nfs/dbraw/zinc/58/52/26/825585226.db2.gz	MGPYJFUMCVLCTJ-VQIMIIECSA-N	1	0	368.522	1.054	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3nc(C)c4cccnc43)C[C@@H]2C1	ZINC001088049099	825588517	/nfs/dbraw/zinc/58/85/17/825588517.db2.gz	RDHTZUFVFFGAPV-SJORKVTESA-N	1	0	351.454	1.543	20	30		FDEDRO
COc1cccc([C@H](CNC(=O)N2C[C@@H](O)C[C@H]2CO)[NH+]2CCCC2)c1	ZINC000330075988	825622446	/nfs/dbraw/zinc/62/24/46/825622446.db2.gz	MDFRODKUTZHZKP-BQFCYCMXSA-N	1	0	363.458	1.174	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cn([C@H]2CCOC2)nn1	ZINC000330093994	825633954	/nfs/dbraw/zinc/63/39/54/825633954.db2.gz	SFFUJZJLQUDRCT-UAGQMJEPSA-N	1	0	363.462	1.312	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(C)nc3[C@H]3CCOC3)C[C@@H]2C1	ZINC001088054397	825656116	/nfs/dbraw/zinc/65/61/16/825656116.db2.gz	BXPZZPJADKUHSY-IKGGRYGDSA-N	1	0	356.470	1.341	20	30		FDEDRO
C[N@H+](CCO)C1CCN(C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)CC1	ZINC000330133493	825664099	/nfs/dbraw/zinc/66/40/99/825664099.db2.gz	REYMPPIRWCFRKO-OAHLLOKOSA-N	1	0	366.506	1.223	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@H](C)O[C@@]3(CCCOC3)C2)C1	ZINC000330141844	825671308	/nfs/dbraw/zinc/67/13/08/825671308.db2.gz	XXLZDRWXCYTIIO-SCTDSRPQSA-N	1	0	369.506	1.527	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)N2C[C@@H](OC)C[C@@H]2c2nc(C)no2)CC1	ZINC000330169094	825699754	/nfs/dbraw/zinc/69/97/54/825699754.db2.gz	DBNCLXNZTIXPOQ-LSDHHAIUSA-N	1	0	367.450	1.165	20	30		FDEDRO
Cn1cc([C@@H]2CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)C2)cn1	ZINC000330234061	825748921	/nfs/dbraw/zinc/74/89/21/825748921.db2.gz	SKONZKBJPVGZHG-OLMNPRSZSA-N	1	0	361.490	1.501	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C([O-])=[NH+][C@H]2CCn3ccnc3C2)CC1	ZINC000330247939	825764897	/nfs/dbraw/zinc/76/48/97/825764897.db2.gz	FWGIWGNNNZSTHW-KSZLIROESA-N	1	0	374.533	1.602	20	30		FDEDRO
O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)N1CC[C@@H](CCO)C1	ZINC000330266369	825780792	/nfs/dbraw/zinc/78/07/92/825780792.db2.gz	HPOLZMWIGVEMAI-OALUTQOASA-N	1	0	361.486	1.896	20	30		FDEDRO
COc1coc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1=O	ZINC000281090282	825872875	/nfs/dbraw/zinc/87/28/75/825872875.db2.gz	ALRLSPGVYAPODT-UHFFFAOYSA-N	1	0	355.394	1.724	20	30		FDEDRO
C[NH+]1CCN(Cc2ccc(CNC(=O)c3cc4n(n3)CCCO4)cc2)CC1	ZINC000330314869	825897331	/nfs/dbraw/zinc/89/73/31/825897331.db2.gz	YGAOHJZNGRUYJW-UHFFFAOYSA-N	1	0	369.469	1.918	20	30		FDEDRO
CN1CC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4C#N)CC[C@@H]3C2)C1=O	ZINC001088074234	825987753	/nfs/dbraw/zinc/98/77/53/825987753.db2.gz	GNBISTUGEVYMGW-CEXWTWQISA-N	1	0	366.465	1.317	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H](CC)OC)[C@@H]2CC)CC1	ZINC000984989406	826007012	/nfs/dbraw/zinc/00/70/12/826007012.db2.gz	QYNIKJLTQKADQR-KSZLIROESA-N	1	0	363.502	1.252	20	30		FDEDRO
N#Cc1ccnc(-n2c3ncnc-3c(OCc3ccc(C[NH3+])cc3)nc2N)c1	ZINC001168049756	826147681	/nfs/dbraw/zinc/14/76/81/826147681.db2.gz	FTAZCYCAPPVRDR-UHFFFAOYSA-N	1	0	372.392	1.532	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2nccn2CC)[C@@H]1CC	ZINC000985047795	826232398	/nfs/dbraw/zinc/23/23/98/826232398.db2.gz	QUKSIMFLKIBQQM-BBWFWOEESA-N	1	0	371.485	1.110	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2[nH]c(C)cc2C)[C@@H]1CC	ZINC000985048546	826235319	/nfs/dbraw/zinc/23/53/19/826235319.db2.gz	JOZFXAAZCLFWPN-KSZLIROESA-N	1	0	370.497	1.838	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C4(C(N)=O)CC4)C[C@@H]3C2)c(F)c1	ZINC001088089373	826319458	/nfs/dbraw/zinc/31/94/58/826319458.db2.gz	NPNHMVPUWUANOO-ZBFHGGJFSA-N	1	0	370.428	1.243	20	30		FDEDRO
C=CCN1CC[C@@H]([NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C1=O	ZINC000281958381	826350574	/nfs/dbraw/zinc/35/05/74/826350574.db2.gz	KFEMHHSUTQSUKH-GOSISDBHSA-N	1	0	352.438	1.996	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cccc(OC)n3)CC[C@@H]2C1	ZINC001088112753	826445023	/nfs/dbraw/zinc/44/50/23/826445023.db2.gz	WERBRDBUUPRVJW-JFRXWTBNSA-N	1	0	371.481	1.962	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCS(=O)(=O)C3)C[C@@H]2C1	ZINC001088125943	826514129	/nfs/dbraw/zinc/51/41/29/826514129.db2.gz	ICPLKILUHWMTOU-ZACQAIPSSA-N	1	0	354.516	1.558	20	30		FDEDRO
C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC001168053050	826525816	/nfs/dbraw/zinc/52/58/16/826525816.db2.gz	ZTUJZUXALGOQMS-GOEBONIOSA-N	1	0	350.850	1.449	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+]([C@@H](C)c4cnccn4)CC[C@@H]3C2)nn1	ZINC001088132933	826571223	/nfs/dbraw/zinc/57/12/23/826571223.db2.gz	LIJZSYBTLKPMRN-XHSDSOJGSA-N	1	0	367.457	1.409	20	30		FDEDRO
N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4ncc[nH]4)C[C@@H]3C2)c1	ZINC001088151980	826805564	/nfs/dbraw/zinc/80/55/64/826805564.db2.gz	FWWDAQKBKJJJBR-WBVHZDCISA-N	1	0	367.428	1.943	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2CC)nc1	ZINC000985209489	826928077	/nfs/dbraw/zinc/92/80/77/826928077.db2.gz	BIQJRBXSYPGLFO-PKOBYXMFSA-N	1	0	368.481	1.657	20	30		FDEDRO
CC(C)[C@H]([NH2+]Cc1cc(C#N)n(C)c1)C(=O)N(C)Cc1nnc2n1CCC2	ZINC000475355026	827178342	/nfs/dbraw/zinc/17/83/42/827178342.db2.gz	NMOWTSMIEDSBGN-SFHVURJKSA-N	1	0	369.473	1.207	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4cc(C)ncn4)CC[C@@H]3C2)nc1	ZINC001088174370	827220392	/nfs/dbraw/zinc/22/03/92/827220392.db2.gz	SQBMHPLIMKWONB-MSOLQXFVSA-N	1	0	361.449	1.755	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CC[C@H]4CCOC4)CC[C@@H]3C2)nc1	ZINC001088174371	827220769	/nfs/dbraw/zinc/22/07/69/827220769.db2.gz	SSJSWUBOXKQUEB-OTWHNJEPSA-N	1	0	353.466	1.883	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C(=O)NC)nc3)C[C@@H]2C1	ZINC001088173758	827252552	/nfs/dbraw/zinc/25/25/52/827252552.db2.gz	QPXJEDRRKGPJDY-SJORKVTESA-N	1	0	356.470	1.801	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4ccnc4)C[C@@H]3C2)c(F)c1	ZINC001088219454	827538526	/nfs/dbraw/zinc/53/85/26/827538526.db2.gz	DGARRLGEWCVIDL-AEFFLSMTSA-N	1	0	367.428	1.874	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccnc(-n4cncn4)c3)C[C@@H]2C1	ZINC001088219946	827543647	/nfs/dbraw/zinc/54/36/47/827543647.db2.gz	DGZPIPQDYYUZNJ-SJORKVTESA-N	1	0	352.442	1.632	20	30		FDEDRO
[NH2+]=C(NCCNS(=O)(=O)c1ccccc1)N[C@H]1CCOc2ccccc21	ZINC000262496828	827601751	/nfs/dbraw/zinc/60/17/51/827601751.db2.gz	KCFWBCYLWLZFHQ-INIZCTEOSA-N	1	0	374.466	1.393	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1	ZINC001088234938	827603013	/nfs/dbraw/zinc/60/30/13/827603013.db2.gz	FZESCZLXOHGDOC-ROMHJBHXSA-N	1	0	360.498	1.925	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](C2CC2)[NH+](C)C)cc1	ZINC000523036702	827604281	/nfs/dbraw/zinc/60/42/81/827604281.db2.gz	NAMBEYLOWCTPTK-MRXNPFEDSA-N	1	0	373.457	1.389	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1	ZINC001088235487	827607153	/nfs/dbraw/zinc/60/71/53/827607153.db2.gz	SUDCOVRKWYMZJB-WDSOQIARSA-N	1	0	364.486	1.143	20	30		FDEDRO
C[C@@H](NC(=O)c1cnn(C)c1C#N)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000475443460	827630694	/nfs/dbraw/zinc/63/06/94/827630694.db2.gz	GAVLTIHLNMTKPT-CYBMUJFWSA-N	1	0	370.432	1.674	20	30		FDEDRO
C=C(Cl)CN1CC[C@H](OCC2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1	ZINC001088237918	827642362	/nfs/dbraw/zinc/64/23/62/827642362.db2.gz	GUEJJVXMQZEWLZ-XHSDSOJGSA-N	1	0	369.893	1.190	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc5occc5[nH]4)[C@@H]3C2)C1=O	ZINC001075848730	827652893	/nfs/dbraw/zinc/65/28/93/827652893.db2.gz	QKRWTNCCVYGDLU-RRQGHBQHSA-N	1	0	368.437	1.694	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCc2ccccc21)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000179070129	827814613	/nfs/dbraw/zinc/81/46/13/827814613.db2.gz	NMUWQHGDOYMJPX-HKUYNNGSSA-N	1	0	356.514	1.946	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@@H]2CCN(CC)C2=O)CC1	ZINC000985435437	827819637	/nfs/dbraw/zinc/81/96/37/827819637.db2.gz	KLPFPUYJUZJZDF-KURKYZTESA-N	1	0	363.502	1.511	20	30		FDEDRO
CCN1C[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)CC1=O	ZINC001075853532	827883479	/nfs/dbraw/zinc/88/34/79/827883479.db2.gz	KDEOSTWQSTWRJF-GBESFXJTSA-N	1	0	366.465	1.459	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCCCNc2ccccn2)CC1	ZINC000303979440	827950594	/nfs/dbraw/zinc/95/05/94/827950594.db2.gz	NEKWOAMSRSHIST-UHFFFAOYSA-N	1	0	362.478	1.799	20	30		FDEDRO
COc1ccc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@]34C[C@H]3COC4)C2)cc1C#N	ZINC001029744918	827972137	/nfs/dbraw/zinc/97/21/37/827972137.db2.gz	NCZVRFUMJHUKAD-MMOPVJDHSA-N	1	0	369.465	1.884	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(C#N)cc2)C1	ZINC001029759347	828010891	/nfs/dbraw/zinc/01/08/91/828010891.db2.gz	SAVJSFFOLJGGOT-IPELMVKDSA-N	1	0	357.454	1.642	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H](C[N@H+](C)Cc3ccc(C#N)cc3)C2)O1	ZINC001029767582	828031707	/nfs/dbraw/zinc/03/17/07/828031707.db2.gz	UXEAFCZFQMMTFP-NSISKUIASA-N	1	0	370.497	1.558	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC000985496468	828034432	/nfs/dbraw/zinc/03/44/32/828034432.db2.gz	YWZNBOZOWNIMFQ-XOKHGSTOSA-N	1	0	357.458	1.480	20	30		FDEDRO
COC(=O)C1(C#N)CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)CC1	ZINC000925166335	828278298	/nfs/dbraw/zinc/27/82/98/828278298.db2.gz	ASGYSQGBXYAJPN-ZIAGYGMSSA-N	1	0	366.487	1.055	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@H]2CCN(C(C)C)C2=O)CC1	ZINC000985661660	828873838	/nfs/dbraw/zinc/87/38/38/828873838.db2.gz	OXQJTHXAXUOTMA-SQNIBIBYSA-N	1	0	363.502	1.510	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](CO)[C@H]1CCCO1	ZINC000447913819	828935205	/nfs/dbraw/zinc/93/52/05/828935205.db2.gz	NNKHLPMDKFGWGW-ZMSDIMECSA-N	1	0	361.442	1.460	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C)o3)C[C@@H]2C1	ZINC000985700631	829045666	/nfs/dbraw/zinc/04/56/66/829045666.db2.gz	ISCCJEXQHHFNDL-SQNIBIBYSA-N	1	0	369.465	1.606	20	30		FDEDRO
C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000448322271	829090175	/nfs/dbraw/zinc/09/01/75/829090175.db2.gz	RDZQCEXCXQTZQZ-CQSZACIVSA-N	1	0	374.489	1.685	20	30		FDEDRO
C[C@@H]1C[C@@]1(C#N)C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000448838388	829262320	/nfs/dbraw/zinc/26/23/20/829262320.db2.gz	YAURDKYYFRFUCA-OPYAIIAOSA-N	1	0	367.497	1.992	20	30		FDEDRO
Cc1cccc2c1ncc(C#N)c2NC[C@@]1(CO)COCC2(CCC2)N1C	ZINC000528133892	829274580	/nfs/dbraw/zinc/27/45/80/829274580.db2.gz	QMNKDXMIJOOBFL-OAQYLSRUSA-N	1	0	366.465	1.865	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1	ZINC001088381820	829331823	/nfs/dbraw/zinc/33/18/23/829331823.db2.gz	NLRFNCWRAIRRAW-OWCLPIDISA-N	1	0	371.909	1.736	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CCCCCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)c1	ZINC001088383118	829361544	/nfs/dbraw/zinc/36/15/44/829361544.db2.gz	VRFHBRJLUHUFRF-KURKYZTESA-N	1	0	354.454	1.540	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)CN1CCC[N@H+](C[C@H]2CCCO2)CC1	ZINC000528349510	829362848	/nfs/dbraw/zinc/36/28/48/829362848.db2.gz	IPJFUMHSCCVRHZ-RBUKOAKNSA-N	1	0	359.470	1.485	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)CC#CCN2C(=O)c3ccccc3C2=O)[C@@H](C)C1	ZINC000528415845	829394420	/nfs/dbraw/zinc/39/44/20/829394420.db2.gz	JXYMDDKKHINQCV-QFBILLFUSA-N	1	0	353.466	1.948	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cnnn2C)C1	ZINC001029862403	829421637	/nfs/dbraw/zinc/42/16/37/829421637.db2.gz	PAFXSPLTUOMPNA-SZMVWBNQSA-N	1	0	361.490	1.467	20	30		FDEDRO
O=C([C@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1)N1CCCC1	ZINC000528500654	829428358	/nfs/dbraw/zinc/42/83/58/829428358.db2.gz	COPKLWNNJZKSGN-INIZCTEOSA-N	1	0	365.433	1.230	20	30		FDEDRO
CNC(=O)CC[C@@H]1CCCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O	ZINC000528502271	829428723	/nfs/dbraw/zinc/42/87/23/829428723.db2.gz	GVAIYMAXZZRFMM-INIZCTEOSA-N	1	0	367.449	1.667	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@](C(N)=O)(c2ccccc2)C1	ZINC000528521815	829435755	/nfs/dbraw/zinc/43/57/55/829435755.db2.gz	FVIIRBJNRDCOQL-WIYYLYMNSA-N	1	0	365.433	1.427	20	30		FDEDRO
CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C[C@H](O)COc2ccccc2C#N)C1	ZINC000528535232	829446425	/nfs/dbraw/zinc/44/64/25/829446425.db2.gz	CPUYTGMZERVTME-XJKSGUPXSA-N	1	0	371.359	1.298	20	30		FDEDRO
N#Cc1cccc(Oc2ccc(NC(=O)NC[C@@H]3COCC[NH2+]3)cn2)c1	ZINC000528669760	829513468	/nfs/dbraw/zinc/51/34/68/829513468.db2.gz	NZTYVBUHBZSDDL-OAHLLOKOSA-N	1	0	353.382	1.855	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]C[C@H](O)c1ccccc1F	ZINC001168110113	829538416	/nfs/dbraw/zinc/53/84/16/829538416.db2.gz	NVANYRVDVJCXMH-SZMVWBNQSA-N	1	0	350.434	1.936	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NCc1ccco1	ZINC001168110206	829550919	/nfs/dbraw/zinc/55/09/19/829550919.db2.gz	QKRIPMAHTGKYHC-XIRDDKMYSA-N	1	0	363.458	1.361	20	30		FDEDRO
C[C@H]1CN(C(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)C[C@H](C)O1	ZINC000528780163	829559030	/nfs/dbraw/zinc/55/90/30/829559030.db2.gz	AYPGZPRPRPCUGE-HOTGVXAUSA-N	1	0	357.454	1.789	20	30		FDEDRO
COc1ccc([C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C2CC2)cn1	ZINC000528849297	829583555	/nfs/dbraw/zinc/58/35/55/829583555.db2.gz	FFLLYTHFMHIBEE-GOSISDBHSA-N	1	0	372.450	1.871	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1COC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1	ZINC000729811839	837406827	/nfs/dbraw/zinc/40/68/27/837406827.db2.gz	DOLPJPCSFHSNKJ-HIFRSBDPSA-N	1	0	362.376	1.959	20	30		FDEDRO
Cc1[nH]c(C#N)cc1C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000450825962	830138434	/nfs/dbraw/zinc/13/84/34/830138434.db2.gz	ZKAWZWWDDXRVOQ-FQEVSTJZSA-N	1	0	352.438	1.904	20	30		FDEDRO
C#CCN1CCC[C@H]1COC(=O)CS[C@H](C)C(=O)Nc1cc(C)on1	ZINC000729808975	837432257	/nfs/dbraw/zinc/43/22/57/837432257.db2.gz	HZJFTKBUVNUMQY-KGLIPLIRSA-N	1	0	365.455	1.684	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC3(C)C)C[C@@H]2C1	ZINC000985968131	830212428	/nfs/dbraw/zinc/21/24/28/830212428.db2.gz	HXIMFVNVBLIHBH-XDNAFOTISA-N	1	0	357.498	1.437	20	30		FDEDRO
CC(C)(C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@@H]1O)[NH+]1CCCCC1	ZINC001083460714	837454215	/nfs/dbraw/zinc/45/42/15/837454215.db2.gz	VLFJMAGBILROTH-MOPGFXCFSA-N	1	0	370.497	1.484	20	30		FDEDRO
CC(C)(C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1)[NH+]1CCCC1	ZINC000986065127	830468269	/nfs/dbraw/zinc/46/82/69/830468269.db2.gz	CDHMXXDFPVWBOB-MSOLQXFVSA-N	1	0	357.498	1.581	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CCC[N@@H+]1CCCO	ZINC000452354710	830622443	/nfs/dbraw/zinc/62/24/43/830622443.db2.gz	WFQFRAGYXJCIPA-MJGOQNOKSA-N	1	0	359.470	1.925	20	30		FDEDRO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CCC[N@@H+]1CCCO	ZINC000452354711	830622609	/nfs/dbraw/zinc/62/26/09/830622609.db2.gz	WFQFRAGYXJCIPA-PKOBYXMFSA-N	1	0	359.470	1.925	20	30		FDEDRO
N#CCN1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C1	ZINC000531358771	830707713	/nfs/dbraw/zinc/70/77/13/830707713.db2.gz	BCWOBPAQMPNUEW-OALUTQOASA-N	1	0	355.486	1.645	20	30		FDEDRO
CC1CC(C#N)(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C1	ZINC000531812977	830877048	/nfs/dbraw/zinc/87/70/48/830877048.db2.gz	XCWFDODFNOXSDZ-UHFFFAOYSA-N	1	0	360.502	1.767	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)ccc1C#N	ZINC000453569500	830946351	/nfs/dbraw/zinc/94/63/51/830946351.db2.gz	CRLLLJNXGJABNY-INIZCTEOSA-N	1	0	369.400	1.758	20	30		FDEDRO
Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C#N)c(C)n2)[NH+](C)C)cc1	ZINC000453640322	830977713	/nfs/dbraw/zinc/97/77/13/830977713.db2.gz	QKXNPLQOOPPRKR-QGZVFWFLSA-N	1	0	365.437	1.928	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1C#N	ZINC000453661484	830992712	/nfs/dbraw/zinc/99/27/12/830992712.db2.gz	CIVNFICXKGHVGP-NVXWUHKLSA-N	1	0	367.453	1.676	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC([N@@H+](C)C[C@H](C)O)CC2)c1	ZINC000453711591	831036501	/nfs/dbraw/zinc/03/65/01/831036501.db2.gz	LXHIRRQAGQAMHO-AWEZNQCLSA-N	1	0	358.442	1.109	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1CCCO	ZINC000453802094	831102565	/nfs/dbraw/zinc/10/25/65/831102565.db2.gz	BSBYBYZKLJAKBL-KRWDZBQOSA-N	1	0	359.470	1.707	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)C[C@@H]21	ZINC000453914597	831259357	/nfs/dbraw/zinc/25/93/57/831259357.db2.gz	IRMPHAVVRHRQGW-CJNGLKHVSA-N	1	0	370.453	1.837	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)C4CCCC4)C[C@H]3C2)CC1	ZINC000986246317	831357905	/nfs/dbraw/zinc/35/79/05/831357905.db2.gz	QXNRNYLHYQZZEQ-UXHICEINSA-N	1	0	371.525	1.829	20	30		FDEDRO
Cc1ccc(CNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)c(=O)n1C	ZINC000262770689	831360715	/nfs/dbraw/zinc/36/07/15/831360715.db2.gz	IQUQOWWSISGAJW-UHFFFAOYSA-N	1	0	357.433	1.470	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]2C1	ZINC000986248926	831362925	/nfs/dbraw/zinc/36/29/25/831362925.db2.gz	LQFLVHAFSBFVNA-IPELMVKDSA-N	1	0	368.481	1.828	20	30		FDEDRO
C[NH+]=C(NCC1(N2CCOC(C)(C)C2)CCCCC1)N1CCC(O)CC1	ZINC000262805052	831514956	/nfs/dbraw/zinc/51/49/56/831514956.db2.gz	RVNGJVXIFZIGHY-UHFFFAOYSA-N	1	0	366.550	1.832	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CCC[N@H+]4C)C[C@H]3C2)nc1	ZINC000986456793	831699566	/nfs/dbraw/zinc/69/95/66/831699566.db2.gz	HKDHHFJZAKRPKN-ZIFCJYIRSA-N	1	0	366.465	1.078	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CN(CC)CCO2)C[C@H]1C(F)(F)F	ZINC001112207814	831945871	/nfs/dbraw/zinc/94/58/71/831945871.db2.gz	IAXQZWTZMBHAEL-RBSFLKMASA-N	1	0	363.424	1.652	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)CC[N@@H+](C)CC)C1	ZINC001059729673	831960963	/nfs/dbraw/zinc/96/09/63/831960963.db2.gz	ZHODMVTUPFAEGJ-KSZLIROESA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCS2(=O)=O)C[C@H]1C(F)(F)F	ZINC001112208778	831981140	/nfs/dbraw/zinc/98/11/40/831981140.db2.gz	BKIBAFXUOAVJNM-JHJVBQTASA-N	1	0	368.421	1.509	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C[C@@H](O)Cc1ccc(F)cc1	ZINC001088511480	832323627	/nfs/dbraw/zinc/32/36/27/832323627.db2.gz	PZRIBUDLNSWXHC-BVGQSLNGSA-N	1	0	370.428	1.822	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1CC(=O)Nc1ccc(F)cc1	ZINC001088511557	832323977	/nfs/dbraw/zinc/32/39/77/832323977.db2.gz	SKNDHVAMMAWSTP-WBMJQRKESA-N	1	0	369.400	1.857	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@@H+](C)[C@@H]2CCCN(C)C2=O)CC1	ZINC001029998156	832343982	/nfs/dbraw/zinc/34/39/82/832343982.db2.gz	NCQPKUZGKRIBMC-KURKYZTESA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@@H+](C)Cc2cc(C)n(C)n2)CC1	ZINC001029998214	832347197	/nfs/dbraw/zinc/34/71/97/832347197.db2.gz	OOJYGPGDKQAXTJ-MOPGFXCFSA-N	1	0	360.502	1.990	20	30		FDEDRO
[NH2+]=C(NCC1(N2CCOCC2)CCOCC1)Nc1ccc2c(c1)CCC2	ZINC000263095856	832369676	/nfs/dbraw/zinc/36/96/76/832369676.db2.gz	JJDNENIGIKLPGD-UHFFFAOYSA-N	1	0	358.486	1.783	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C[C@H](O)Cc1ccccc1	ZINC001088533578	832495535	/nfs/dbraw/zinc/49/55/35/832495535.db2.gz	YMPVDPRZESBLCK-ZMYBRWDISA-N	1	0	352.438	1.683	20	30		FDEDRO
CC(C)(C)c1ccncc1CNC(=[NH2+])N1CCN(c2ncccn2)CC1	ZINC000263154077	832582819	/nfs/dbraw/zinc/58/28/19/832582819.db2.gz	PUYCEZWVYLYYMG-UHFFFAOYSA-N	1	0	353.474	1.806	20	30		FDEDRO
CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C[C@H]1C	ZINC000475824932	832605927	/nfs/dbraw/zinc/60/59/27/832605927.db2.gz	KGQCAAJUCACWTP-GJYPPUQNSA-N	1	0	368.481	1.990	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000666286214	832825377	/nfs/dbraw/zinc/82/53/77/832825377.db2.gz	QTTSNRZEZCIBHE-FQEVSTJZSA-N	1	0	372.513	1.786	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)C[C@H]3CCCO3)[C@H]2C)CC1	ZINC000987393421	832944628	/nfs/dbraw/zinc/94/46/28/832944628.db2.gz	XXOSNIYOOZKULW-NXHRZFHOSA-N	1	0	361.486	1.006	20	30		FDEDRO
C[C@H](C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@@H]1C)[NH+]1CCCCCC1	ZINC000987952127	833837547	/nfs/dbraw/zinc/83/75/47/833837547.db2.gz	MBXBTXSDPBOXHZ-RKVPGOIHSA-N	1	0	371.485	1.870	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1	ZINC000988014168	833919435	/nfs/dbraw/zinc/91/94/35/833919435.db2.gz	QXDWIPGMMNJFMD-KSZLIROESA-N	1	0	363.502	1.370	20	30		FDEDRO
C=CC(C)(C)CC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1	ZINC001059857463	834144221	/nfs/dbraw/zinc/14/42/21/834144221.db2.gz	CDZWBAQDAOEUSJ-BRWVUGGUSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C	ZINC000988259858	834290073	/nfs/dbraw/zinc/29/00/73/834290073.db2.gz	FRESMJSLWAAGGL-DFEOGRTESA-N	1	0	363.502	1.559	20	30		FDEDRO
COc1ccc(CN2CC[C@H](NC(=O)c3n[nH]cc3C)[C@H]2C)cc1C#N	ZINC001088557438	834291182	/nfs/dbraw/zinc/29/11/82/834291182.db2.gz	MRJGRIKSFXEQSP-CJNGLKHVSA-N	1	0	353.426	1.991	20	30		FDEDRO
CNS(=O)(=O)c1cccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)c1	ZINC000262570219	837772342	/nfs/dbraw/zinc/77/23/42/837772342.db2.gz	YZCKSRSCRSEWCZ-INIZCTEOSA-N	1	0	374.466	1.523	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)nc1	ZINC000841700958	834985167	/nfs/dbraw/zinc/98/51/67/834985167.db2.gz	PCONCJLPKNJWGT-IAGOWNOFSA-N	1	0	356.474	1.786	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1	ZINC000897481896	835150927	/nfs/dbraw/zinc/15/09/27/835150927.db2.gz	JRMVVYIOTZTSLX-IEBWSBKVSA-N	1	0	355.486	1.890	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000897486328	835233652	/nfs/dbraw/zinc/23/36/52/835233652.db2.gz	NTFLFLFRWWRAJZ-GJZGRUSLSA-N	1	0	357.462	1.053	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3CCC)[C@H]2C)c1	ZINC000988499697	835612194	/nfs/dbraw/zinc/61/21/94/835612194.db2.gz	XIRKSEHBISIEAM-AYOQOUSVSA-N	1	0	368.481	1.657	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@@H]1C	ZINC000988541507	835864023	/nfs/dbraw/zinc/86/40/23/835864023.db2.gz	VBCAMXLLWSDUDH-PVAVHDDUSA-N	1	0	371.485	1.868	20	30		FDEDRO
CCN1C[C@@H](C(=O)N[C@H]2CCN(Cc3ccccc3C#N)[C@@H]2C)CC1=O	ZINC001088602522	835949684	/nfs/dbraw/zinc/94/96/84/835949684.db2.gz	JLOLKVISJXGWRY-JLSDUUJJSA-N	1	0	354.454	1.506	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cccc(OC)n2)C[C@H]1OC	ZINC001211992540	835976610	/nfs/dbraw/zinc/97/66/10/835976610.db2.gz	RAORXWANLYVMTK-USXIJHARSA-N	1	0	363.458	1.387	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cc(C3CC3)no2)C[C@H]1OC	ZINC001211994760	836028266	/nfs/dbraw/zinc/02/82/66/836028266.db2.gz	KCYYIIFICWEUSF-MORSLUCNSA-N	1	0	363.458	1.849	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCc2ccccc2)C[C@H]1OC	ZINC001212022633	836301147	/nfs/dbraw/zinc/30/11/47/836301147.db2.gz	ZTVIFDNYZLARPI-GUDVDZBRSA-N	1	0	362.470	1.346	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1OC	ZINC001212032325	836346287	/nfs/dbraw/zinc/34/62/87/836346287.db2.gz	VSBCVCQWBDSXPZ-RTBURBONSA-N	1	0	370.453	1.390	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCn2cc(-c3ccccc3)cn2)C[C@H]1NC(=O)[C@H](C)C#N	ZINC001212041327	836356205	/nfs/dbraw/zinc/35/62/05/836356205.db2.gz	MJIRQJURFBORMS-ATZDWAIDSA-N	1	0	367.453	1.525	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2(F)CCCCC2)[C@@H]1C	ZINC000988737510	836931146	/nfs/dbraw/zinc/93/11/46/836931146.db2.gz	AEDYLABMVDLDOI-IKGGRYGDSA-N	1	0	363.477	1.862	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1OC	ZINC001212092720	837106065	/nfs/dbraw/zinc/10/60/65/837106065.db2.gz	NZCFKOBVJTWHSM-RTBURBONSA-N	1	0	368.518	1.991	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@H]1OC	ZINC001212092920	837109655	/nfs/dbraw/zinc/10/96/55/837109655.db2.gz	WUMWOLLMXCRXHC-GUDVDZBRSA-N	1	0	368.518	1.726	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1	ZINC000938038672	837166755	/nfs/dbraw/zinc/16/67/55/837166755.db2.gz	CYBACGWMFJIGAG-FJIDUMEYSA-N	1	0	359.514	1.873	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)CC1	ZINC000938042587	837203234	/nfs/dbraw/zinc/20/32/34/837203234.db2.gz	MGLWSKSVQQZGBP-LCLWPZTBSA-N	1	0	369.509	1.651	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC000989019557	838175971	/nfs/dbraw/zinc/17/59/71/838175971.db2.gz	NMLOKOUPYPYPGY-RPVQJOFSSA-N	1	0	369.469	1.480	20	30		FDEDRO
C#CCC[NH+]1CCN(C[C@@H](O)COc2cccc(C(=O)OCC)c2)CC1	ZINC000271998085	838421492	/nfs/dbraw/zinc/42/14/92/838421492.db2.gz	GTCUGPREDMDLPP-GOSISDBHSA-N	1	0	360.454	1.244	20	30		FDEDRO
CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000508736326	838477071	/nfs/dbraw/zinc/47/70/71/838477071.db2.gz	KALQRBGRDYMEHT-ROUUACIJSA-N	1	0	356.470	1.942	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3ccnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105669941	844338324	/nfs/dbraw/zinc/33/83/24/844338324.db2.gz	WSDXTCRWVYOHOP-IZBJGVDFSA-N	1	0	358.486	1.181	20	30		FDEDRO
COc1nn(C)cc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C	ZINC001088791250	844357388	/nfs/dbraw/zinc/35/73/88/844357388.db2.gz	WUJSLNKYRIYZLU-DYVFJYSZSA-N	1	0	353.426	1.693	20	30		FDEDRO
CCNC(=O)C(C)(C)[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000459581953	838854100	/nfs/dbraw/zinc/85/41/00/838854100.db2.gz	DTVXWWXBRWQUTH-UHFFFAOYSA-N	1	0	369.387	1.677	20	30		FDEDRO
Cc1oc(NC(=O)C[NH2+]C2(C(N)=O)C3CC4CC(C3)CC2C4)c(C#N)c1C	ZINC000459760687	838932810	/nfs/dbraw/zinc/93/28/10/838932810.db2.gz	AECHAFMOFZPPRE-UHFFFAOYSA-N	1	0	370.453	1.976	20	30		FDEDRO
C=C(C)CN(C)C(=O)C(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@H+]1CC	ZINC000460029160	839232291	/nfs/dbraw/zinc/23/22/91/839232291.db2.gz	NGKHLMKUTGIEPE-SFHVURJKSA-N	1	0	358.486	1.929	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCC3(C)C)[C@H]2C)CC1	ZINC000989350999	839583078	/nfs/dbraw/zinc/58/30/78/839583078.db2.gz	JQJVRIUJWARMKO-NJAFHUGGSA-N	1	0	359.514	1.873	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)c1C#N	ZINC000760306843	839778489	/nfs/dbraw/zinc/77/84/89/839778489.db2.gz	MFGZQAZDXDOYJS-IBGZPJMESA-N	1	0	367.409	1.544	20	30		FDEDRO
CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CCC1	ZINC001105563423	839974935	/nfs/dbraw/zinc/97/49/35/839974935.db2.gz	MRWFBXPWKTXWAU-FGTMMUONSA-N	1	0	359.514	1.875	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105585422	839994582	/nfs/dbraw/zinc/99/45/82/839994582.db2.gz	PCZKZIUZVYBOOJ-YAJHFMINSA-N	1	0	363.502	1.055	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105585893	840044170	/nfs/dbraw/zinc/04/41/70/840044170.db2.gz	YAQFNQRMLPOIHB-IZBJGVDFSA-N	1	0	350.503	1.955	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105588278	840080900	/nfs/dbraw/zinc/08/09/00/840080900.db2.gz	UKZIKUCZTCOYBE-WERVVEIQSA-N	1	0	371.481	1.311	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc(C)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105590744	840128268	/nfs/dbraw/zinc/12/82/68/840128268.db2.gz	MRAFWCPYFKIBAL-PHXBYCTMSA-N	1	0	358.486	1.941	20	30		FDEDRO
C=CCCn1cc(C[NH2+]C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)nn1	ZINC000897695330	840238118	/nfs/dbraw/zinc/23/81/18/840238118.db2.gz	FLKITBYDBZLJOS-KRWDZBQOSA-N	1	0	351.451	1.316	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3snnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105593928	840381232	/nfs/dbraw/zinc/38/12/32/840381232.db2.gz	JCSJMASSBPGVED-AHEZYBDSSA-N	1	0	362.499	1.450	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH2+]CCS(=O)(=O)N2CCCC2)cc1	ZINC000897831840	840473619	/nfs/dbraw/zinc/47/36/19/840473619.db2.gz	AFYNFUFZAIVZHS-UHFFFAOYSA-N	1	0	350.488	1.552	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](CC)C2)cc1	ZINC000667551910	844560075	/nfs/dbraw/zinc/56/00/75/844560075.db2.gz	BVURDPXMYUMVCA-CZUORRHYSA-N	1	0	373.457	1.518	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C)nc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105598018	840766270	/nfs/dbraw/zinc/76/62/70/840766270.db2.gz	KCFPNQLDCGCJBS-WERVVEIQSA-N	1	0	355.482	1.993	20	30		FDEDRO
N#CCOc1cccc(CC(=O)N2CCC(CO)([NH2+]CC3CC3)CC2)c1	ZINC000898114405	840781788	/nfs/dbraw/zinc/78/17/88/840781788.db2.gz	HLRFWBLXBAJZCA-UHFFFAOYSA-N	1	0	357.454	1.485	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cccn4nnnc34)CC2)c1	ZINC000898297343	840952848	/nfs/dbraw/zinc/95/28/48/840952848.db2.gz	RWNVYDSSVHCLQI-UHFFFAOYSA-N	1	0	361.409	1.390	20	30		FDEDRO
CCOC(=O)N1C[C@@H](CO)[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1	ZINC000898359339	840965712	/nfs/dbraw/zinc/96/57/12/840965712.db2.gz	PILCYVKSTCHMPJ-WMZOPIPTSA-N	1	0	361.442	1.908	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)n(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105601385	841032044	/nfs/dbraw/zinc/03/20/44/841032044.db2.gz	XMTHZXJPTBHJFL-XSYGEPLQSA-N	1	0	358.486	1.332	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cn([C@H]2CCOC2)nn1	ZINC000479909161	844602592	/nfs/dbraw/zinc/60/25/92/844602592.db2.gz	CLMUMVOJHNUOHJ-KRWDZBQOSA-N	1	0	368.441	1.315	20	30		FDEDRO
C=CCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NCC)C2)[C@H]1C(C)C	ZINC001105607152	841222064	/nfs/dbraw/zinc/22/20/64/841222064.db2.gz	MIDHLPKPZKBQSM-OHDICMOHSA-N	1	0	351.491	1.055	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)n(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105607415	841226349	/nfs/dbraw/zinc/22/63/49/841226349.db2.gz	RCVLZNBZVHKMPM-FTEYMNFISA-N	1	0	358.486	1.332	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cc(C)on3)[C@H]2C(C)C)C[C@H]1O	ZINC001105609819	841395765	/nfs/dbraw/zinc/39/57/65/841395765.db2.gz	BONAZYFJDPTANW-IZBJGVDFSA-N	1	0	359.470	1.515	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)NN1Cc2ccc(Br)cc2C1=O	ZINC000912992889	861203441	/nfs/dbraw/zinc/20/34/41/861203441.db2.gz	NZTVDCRRCBQBES-UHFFFAOYSA-N	1	0	352.232	1.944	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H]1C	ZINC000990005245	841798723	/nfs/dbraw/zinc/79/87/23/841798723.db2.gz	MXDJTTLPFOVXCD-NCOADZHNSA-N	1	0	363.502	1.415	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnccc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105611561	841897593	/nfs/dbraw/zinc/89/75/93/841897593.db2.gz	SPZPJKXJYNQNGS-BNDYYXHWSA-N	1	0	355.482	1.993	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H]1C	ZINC000990145954	841910713	/nfs/dbraw/zinc/91/07/13/841910713.db2.gz	MEVVSPNTPCPPKH-NCOADZHNSA-N	1	0	363.502	1.415	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncc(C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105611851	841917840	/nfs/dbraw/zinc/91/78/40/841917840.db2.gz	VTPYDFPHZMLYFL-WERVVEIQSA-N	1	0	355.482	1.993	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105614620	842227923	/nfs/dbraw/zinc/22/79/23/842227923.db2.gz	IXOUCIMWPYGYSG-SOAMZJECSA-N	1	0	354.454	1.489	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C#N)[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105619036	842235273	/nfs/dbraw/zinc/23/52/73/842235273.db2.gz	DTYFTZRTMXRAGY-XSYGEPLQSA-N	1	0	354.454	1.489	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccn(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105626769	842257507	/nfs/dbraw/zinc/25/75/07/842257507.db2.gz	HJDGHDJWSIZRFZ-HNBVOPMISA-N	1	0	360.502	1.505	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C#CC(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105626950	842258375	/nfs/dbraw/zinc/25/83/75/842258375.db2.gz	JSGRHCNBRJPQGA-RMVXJAJNSA-N	1	0	362.514	1.815	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCOCC(F)F)[C@@H]2C(C)C)C[C@H]1O	ZINC001105631559	842264966	/nfs/dbraw/zinc/26/49/66/842264966.db2.gz	DSPMVWMWXFVLDG-DTTOXWODSA-N	1	0	358.429	1.258	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cnccc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637638	842272454	/nfs/dbraw/zinc/27/24/54/842272454.db2.gz	SZJRQLPWKIRSLH-CZAYHTPWSA-N	1	0	369.509	1.922	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnc(OC)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105637879	842274308	/nfs/dbraw/zinc/27/43/08/842274308.db2.gz	WYTZPIJOGJOQEK-REHHDOPLSA-N	1	0	371.481	1.693	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3(COC)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105632022	842278920	/nfs/dbraw/zinc/27/89/20/842278920.db2.gz	HZLWHKIRFWSLIW-PLOVASNDSA-N	1	0	362.514	1.793	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3(COC)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105632956	842280691	/nfs/dbraw/zinc/28/06/91/842280691.db2.gz	PLBHKKSSACAZQF-QQTQMKHKSA-N	1	0	350.503	1.955	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@H]1C(C)C	ZINC001105633413	842282426	/nfs/dbraw/zinc/28/24/26/842282426.db2.gz	UFWZIOASDPMCBV-PHNROFDPSA-N	1	0	351.491	1.040	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3ccncn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105633952	842283307	/nfs/dbraw/zinc/28/33/07/842283307.db2.gz	YCADYRLJGSFJQB-VURPSTOHSA-N	1	0	370.497	1.399	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105641529	842296075	/nfs/dbraw/zinc/29/60/75/842296075.db2.gz	CDTWXMCWHFHSNA-LBKNJMOBSA-N	1	0	360.502	1.966	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(COC)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105643038	842326509	/nfs/dbraw/zinc/32/65/09/842326509.db2.gz	QMPHKYAAQGJYGW-WWNBULGVSA-N	1	0	350.503	1.955	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCC(F)F)[C@H]2C(C)C)C[C@H]1O	ZINC001105647823	842414356	/nfs/dbraw/zinc/41/43/56/842414356.db2.gz	UVTSOXOZYGHKHV-KNCCTNLNSA-N	1	0	360.445	1.810	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCC(F)F)[C@H]2C(C)C)C[C@H]1O	ZINC001105647822	842414727	/nfs/dbraw/zinc/41/47/27/842414727.db2.gz	UVTSOXOZYGHKHV-KJWYOANISA-N	1	0	360.445	1.810	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCOCCO)C2)[C@H]1C(C)C	ZINC001105648321	842419718	/nfs/dbraw/zinc/41/97/18/842419718.db2.gz	XZOUPUCDUYBCKM-VIPLHTEESA-N	1	0	368.518	1.174	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@@H]1C(C)C	ZINC001105656548	842487480	/nfs/dbraw/zinc/48/74/80/842487480.db2.gz	QXGDTPNXCDXVQH-GTACMHHNSA-N	1	0	351.491	1.040	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3cn[nH]n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105657150	842491204	/nfs/dbraw/zinc/49/12/04/842491204.db2.gz	XCKWCTZOWGRLPB-PSBWJHGTSA-N	1	0	361.490	1.280	20	30		FDEDRO
C=CCCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@@H]1C(C)C	ZINC001105659804	842504953	/nfs/dbraw/zinc/50/49/53/842504953.db2.gz	QOEYEBRAIQJTCH-LTDCPUDJSA-N	1	0	351.491	1.055	20	30		FDEDRO
C[C@@H](OC(=O)COC1CC[NH+](C)CC1)C(=O)NC1(C#N)CCCCC1	ZINC000923793893	842546333	/nfs/dbraw/zinc/54/63/33/842546333.db2.gz	HTNCGPRANFTZCV-CQSZACIVSA-N	1	0	351.447	1.372	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)NC[C@H]1CC[C@@H]([NH3+])C1	ZINC000923739658	842607194	/nfs/dbraw/zinc/60/71/94/842607194.db2.gz	OVOXLVYGCSFNLA-VHSXEESVSA-N	1	0	358.261	1.726	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCN(C)C4=O)C[C@H]32)cc1	ZINC001075958677	842802228	/nfs/dbraw/zinc/80/22/28/842802228.db2.gz	FUXDWXIEUKKFBN-YTQUADARSA-N	1	0	369.465	1.628	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@H]32)cc1	ZINC001075958733	842802699	/nfs/dbraw/zinc/80/26/99/842802699.db2.gz	RLSYNRJDFZRWDV-YTQUADARSA-N	1	0	369.465	1.676	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)c3cnc4ccc(OC)nn43)[C@@H]2C1	ZINC001075962681	842923854	/nfs/dbraw/zinc/92/38/54/842923854.db2.gz	QDMITGTUEMMUQM-GOEBONIOSA-N	1	0	355.442	1.850	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)cn2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088757603	843173852	/nfs/dbraw/zinc/17/38/52/843173852.db2.gz	GGMLWKRCFLCKRM-CJNGLKHVSA-N	1	0	351.410	1.045	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CC#Cc3ccc(F)cc3)C[C@@H]2O)CC[N@@H+]1C	ZINC001083474521	843423074	/nfs/dbraw/zinc/42/30/74/843423074.db2.gz	MEVMQOVTKVDCIS-NMLBUPMWSA-N	1	0	373.472	1.069	20	30		FDEDRO
C=C[C@@](C)(O)C(=O)N1CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC1	ZINC000667300175	843588615	/nfs/dbraw/zinc/58/86/15/843588615.db2.gz	JUNOUHWBGDRRTB-LJQANCHMSA-N	1	0	353.507	1.397	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn4cc[nH]c34)[C@H]2C(C)C)C[C@H]1O	ZINC001105667554	843637356	/nfs/dbraw/zinc/63/73/56/843637356.db2.gz	CGWZONJYCZSSKU-PDOICOKGSA-N	1	0	369.469	1.265	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH]nc3C3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105668437	843795392	/nfs/dbraw/zinc/79/53/92/843795392.db2.gz	XOIXGYODRJEUER-REHHDOPLSA-N	1	0	370.497	1.890	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCC(=O)NCCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105668494	843800297	/nfs/dbraw/zinc/80/02/97/843800297.db2.gz	KFTNMXSOVUVPQV-SMOSDQRPSA-N	1	0	365.518	1.445	20	30		FDEDRO
N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)c2)s1	ZINC000842162567	845131971	/nfs/dbraw/zinc/13/19/71/845131971.db2.gz	XYWAJDSBXSHGEL-OAHLLOKOSA-N	1	0	368.462	1.771	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnc(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105672628	845179568	/nfs/dbraw/zinc/17/95/68/845179568.db2.gz	CAVOZHKRICPUGQ-FTEYMNFISA-N	1	0	356.470	1.388	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H]2COc2cccnc2C)CC1	ZINC000842172832	845270741	/nfs/dbraw/zinc/27/07/41/845270741.db2.gz	YWMRLLYUYSPTEN-GOSISDBHSA-N	1	0	356.470	1.011	20	30		FDEDRO
O=C(N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O)[C@H](C1CC1)[NH+]1CCCC1	ZINC001077443961	861561389	/nfs/dbraw/zinc/56/13/89/861561389.db2.gz	DOKVGJLYLKVZKW-NJYVYQBISA-N	1	0	367.493	1.074	20	30		FDEDRO
COC1CCN(C2(C[NH2+][C@H](C)C(=O)NC3(C#N)CCC3)CCCC2)CC1	ZINC000468971395	845589458	/nfs/dbraw/zinc/58/94/58/845589458.db2.gz	LMXLADVVHCXQOY-MRXNPFEDSA-N	1	0	362.518	1.951	20	30		FDEDRO
CCCCCCCCNC(=O)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1	ZINC000842221161	845738853	/nfs/dbraw/zinc/73/88/53/845738853.db2.gz	ODKRSKURJHTVSN-INIZCTEOSA-N	1	0	364.494	1.377	20	30		FDEDRO
C#CC[C@@H](CO)NC(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000899125353	845828651	/nfs/dbraw/zinc/82/86/51/845828651.db2.gz	YQHDOBXBOQQFDU-FYQPLNBISA-N	1	0	355.482	1.971	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@]2(F)CCOC2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088816461	845905515	/nfs/dbraw/zinc/90/55/15/845905515.db2.gz	DALMWUAUXNONSB-LJHODMEESA-N	1	0	361.417	1.797	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O	ZINC001083524010	846245583	/nfs/dbraw/zinc/24/55/83/846245583.db2.gz	CWGVNAPGPJODAX-AQNXPRMDSA-N	1	0	370.497	1.482	20	30		FDEDRO
C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@H](O)C1(O)CCC1	ZINC000899868149	846796335	/nfs/dbraw/zinc/79/63/35/846796335.db2.gz	WTTLJYFFPXYIIO-HNNXBMFYSA-N	1	0	366.531	1.861	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCOCC1	ZINC000899957350	846944460	/nfs/dbraw/zinc/94/44/60/846944460.db2.gz	QLGYKBSHBFAGIY-IBGZPJMESA-N	1	0	361.486	1.693	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4coc(C(N)=O)c4)[C@@H]3C2)cc1	ZINC001076083832	847248971	/nfs/dbraw/zinc/24/89/71/847248971.db2.gz	SZPMCKCEAQWYCU-DOTOQJQBSA-N	1	0	364.405	1.597	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4occ5c4CCC5)[C@@H]3C2)C1=O	ZINC001076088303	847249954	/nfs/dbraw/zinc/24/99/54/847249954.db2.gz	CMXWYFMWEGYNNN-BMGDILEWSA-N	1	0	369.465	1.702	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](C[C@@H]4CCNC(=O)CC4)C[C@H]32)cc1	ZINC001076119318	847314833	/nfs/dbraw/zinc/31/48/33/847314833.db2.gz	JZVDYQMNFUIOCP-YSIASYRMSA-N	1	0	365.477	1.731	20	30		FDEDRO
CCc1nc(C#N)cc(NC[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001060101033	847369125	/nfs/dbraw/zinc/36/91/25/847369125.db2.gz	OHOSHLFZXCETKF-BFYDXBDKSA-N	1	0	370.501	1.901	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3C[C@@]4(C)C[NH+](C)C[C@]4(C)C3)cc2C1=O	ZINC000913293927	861819987	/nfs/dbraw/zinc/81/99/87/861819987.db2.gz	VIQKHLSUEWJICK-NHCUHLMSSA-N	1	0	367.449	1.882	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CCCN4CCCC4=O)C[C@H]32)cn1	ZINC001076477323	848243817	/nfs/dbraw/zinc/24/38/17/848243817.db2.gz	ZQCVPBDHSCPJEP-PKOBYXMFSA-N	1	0	366.465	1.222	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)NC3CC3)C[C@H]21	ZINC001076500580	848292727	/nfs/dbraw/zinc/29/27/27/848292727.db2.gz	FWNXUARECVGCDN-MOXGXCLJSA-N	1	0	365.477	1.410	20	30		FDEDRO
COc1ccc(CN2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)cc1C#N	ZINC001076573737	848447231	/nfs/dbraw/zinc/44/72/31/848447231.db2.gz	YBYKFKIQZFQZCB-PKOBYXMFSA-N	1	0	368.481	1.695	20	30		FDEDRO
C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(Cc4ccc(C#N)c(F)c4)C[C@H]32)C1	ZINC001076569494	848467507	/nfs/dbraw/zinc/46/75/07/848467507.db2.gz	YTDFMCHNXFUYAZ-JENIJYKNSA-N	1	0	356.445	1.682	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN([C@H](C)c4nnc(C)[nH]4)C[C@H]32)CC1	ZINC001076605494	848555801	/nfs/dbraw/zinc/55/58/01/848555801.db2.gz	CQKGERNZPIDGQC-FHLIZLRMSA-N	1	0	370.501	1.052	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2	ZINC001076706270	848812191	/nfs/dbraw/zinc/81/21/91/848812191.db2.gz	ZHPXNKWNAJNACN-ULQDDVLXSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(=O)NC)C1	ZINC001112537597	848860459	/nfs/dbraw/zinc/86/04/59/848860459.db2.gz	OBKZOMGONSNHCG-LIRRHRJNSA-N	1	0	364.490	1.263	20	30		FDEDRO
C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(C#N)CC2)C1	ZINC000483097859	849270587	/nfs/dbraw/zinc/27/05/87/849270587.db2.gz	JLKKXOOMJLLCOY-MAUKXSAKSA-N	1	0	354.454	1.700	20	30		FDEDRO
C[C@@H](c1ccc2c(c1)CCC2)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1	ZINC001076898724	849284904	/nfs/dbraw/zinc/28/49/04/849284904.db2.gz	XJUFMVHCPOOCKP-CJMONDIMSA-N	1	0	364.449	1.911	20	30		FDEDRO
CC(C)c1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)cc1	ZINC001076907576	849302390	/nfs/dbraw/zinc/30/23/90/849302390.db2.gz	UJLRJAVDOJDNPZ-RTBURBONSA-N	1	0	352.438	1.985	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1	ZINC001077000809	849504105	/nfs/dbraw/zinc/50/41/05/849504105.db2.gz	RGSGSFHMGNVYST-USXIJHARSA-N	1	0	355.910	1.555	20	30		FDEDRO
COc1ccc([C@H](CNC(=O)Cn2cnc(C#N)n2)[NH+]2CCCCC2)cc1	ZINC000192922235	849636586	/nfs/dbraw/zinc/63/65/86/849636586.db2.gz	VQFDSOCGMLPEIG-KRWDZBQOSA-N	1	0	368.441	1.502	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(CC)cc2)C[C@H]1O	ZINC001077159272	849955215	/nfs/dbraw/zinc/95/52/15/849955215.db2.gz	WNUUZYJRBBTXGZ-HSALFYBXSA-N	1	0	355.482	1.008	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@H]2O)cc1	ZINC001077246168	850233615	/nfs/dbraw/zinc/23/36/15/850233615.db2.gz	RPEXAJAUHNDQTR-ATZDWAIDSA-N	1	0	360.454	1.453	20	30		FDEDRO
Cc1cc(C)c(C(=O)N[C@@H]2CN(Cc3ccc(C#N)c(F)c3)C[C@@H]2O)[nH]1	ZINC001083574905	850681364	/nfs/dbraw/zinc/68/13/64/850681364.db2.gz	VJQWWAGKPBJZBP-SJORKVTESA-N	1	0	356.401	1.617	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1	ZINC001077374042	850739746	/nfs/dbraw/zinc/73/97/46/850739746.db2.gz	ZPIOJQKWIVQDGO-OOSNJVJTSA-N	1	0	356.466	1.854	20	30		FDEDRO
N#Cc1ccccc1CN1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1	ZINC001077396313	850818214	/nfs/dbraw/zinc/81/82/14/850818214.db2.gz	ZTWRBCDJIHGQIE-RTBURBONSA-N	1	0	361.405	1.181	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2O)cc1	ZINC001083578061	850916755	/nfs/dbraw/zinc/91/67/55/850916755.db2.gz	SXRGRHLYNBQFRC-MOPGFXCFSA-N	1	0	360.454	1.453	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1	ZINC000668388563	851150559	/nfs/dbraw/zinc/15/05/59/851150559.db2.gz	GTOMBZPVUAPTPM-FGTMMUONSA-N	1	0	365.518	1.711	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1	ZINC000904958680	851552719	/nfs/dbraw/zinc/55/27/19/851552719.db2.gz	BCFMJMXYPBMIJK-NVXWUHKLSA-N	1	0	374.510	1.959	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1	ZINC000904966197	851560520	/nfs/dbraw/zinc/56/05/20/851560520.db2.gz	HMSUPOQVCWBAKG-RYUDHWBXSA-N	1	0	374.388	1.316	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H]([NH2+]C[C@H](O)CC3(O)CCCC3)C2=O)cc1	ZINC000905230376	851738584	/nfs/dbraw/zinc/73/85/84/851738584.db2.gz	MHRBPCMHZUJFHS-QZTJIDSGSA-N	1	0	357.454	1.305	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCCC1(C#N)CCOCC1	ZINC000282088605	851882610	/nfs/dbraw/zinc/88/26/10/851882610.db2.gz	VCIIYFXHQMBDDS-MRXNPFEDSA-N	1	0	354.458	1.959	20	30		FDEDRO
C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCC#CC[NH+](C)C	ZINC000913515074	862294856	/nfs/dbraw/zinc/29/48/56/862294856.db2.gz	HQAZHHKGNYQLKZ-ZDUSSCGKSA-N	1	0	351.447	1.567	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)CN1c2cccc3cccc(c23)S1(=O)=O	ZINC000913516033	862296676	/nfs/dbraw/zinc/29/66/76/862296676.db2.gz	XUVUHGXUEXLWNV-UHFFFAOYSA-N	1	0	357.435	1.030	20	30		FDEDRO
COc1cc(C(=O)NCC#CC[NH+](C)C)c([N+](=O)[O-])cc1OC(F)F	ZINC000913515529	862297578	/nfs/dbraw/zinc/29/75/78/862297578.db2.gz	ANPDUCRIADVEAQ-UHFFFAOYSA-N	1	0	357.313	1.500	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]CC[C@@H]2CCCS2(=O)=O)cc1	ZINC000905433233	851938404	/nfs/dbraw/zinc/93/84/04/851938404.db2.gz	XBMRDPCKKDMRQO-WBVHZDCISA-N	1	0	352.456	1.049	20	30		FDEDRO
CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCC#CC[NH+](C)C	ZINC000913516935	862301080	/nfs/dbraw/zinc/30/10/80/862301080.db2.gz	MBAYGMKMZVGSTK-LJQANCHMSA-N	1	0	368.481	1.532	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC[C@@H](O)COc1ccccc1C#N)c1cccnc1	ZINC000905550879	852052654	/nfs/dbraw/zinc/05/26/54/852052654.db2.gz	JIQUGPIWHZGWLR-RTBURBONSA-N	1	0	354.454	1.976	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1	ZINC000905595037	852086127	/nfs/dbraw/zinc/08/61/27/852086127.db2.gz	XIHKWBOKCJZVGQ-HZPDHXFCSA-N	1	0	361.442	1.897	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2c3ccccc3CC[C@H]2O)cc1	ZINC000905633589	852102531	/nfs/dbraw/zinc/10/25/31/852102531.db2.gz	NNRJSUUZEIARLD-MOPGFXCFSA-N	1	0	356.447	1.970	20	30		FDEDRO
CN(c1cccc(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)c1)S(C)(=O)=O	ZINC000905698812	852223176	/nfs/dbraw/zinc/22/31/76/852223176.db2.gz	ODSUMYODYARRRC-SFHVURJKSA-N	1	0	359.451	1.777	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O	ZINC001083593540	852238701	/nfs/dbraw/zinc/23/87/01/852238701.db2.gz	QRUDNLGVLYKHAL-HKBOAZHASA-N	1	0	369.509	1.320	20	30		FDEDRO
CCS(=O)(=O)c1ccccc1CC(=O)N(CCC#N)CCC[NH+](C)C	ZINC000906414286	852877136	/nfs/dbraw/zinc/87/71/36/852877136.db2.gz	MAPXYZSRPTTYTF-UHFFFAOYSA-N	1	0	365.499	1.717	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1coc(Sc2ncccn2)n1	ZINC000906414577	852878578	/nfs/dbraw/zinc/87/85/78/852878578.db2.gz	QLXIBPOINQQONJ-UHFFFAOYSA-N	1	0	360.443	1.923	20	30		FDEDRO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C	ZINC000906710224	853199576	/nfs/dbraw/zinc/19/95/76/853199576.db2.gz	ZPKWRANENNHELI-WFASDCNBSA-N	1	0	360.483	1.991	20	30		FDEDRO
C#Cc1ccc(S(=O)(=O)NCc2ccnc(OCC[NH+](C)C)c2)cc1	ZINC000907078532	853747429	/nfs/dbraw/zinc/74/74/29/853747429.db2.gz	KJAYOLGTUPGCOX-UHFFFAOYSA-N	1	0	359.451	1.482	20	30		FDEDRO
C=CCN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000486215197	853995390	/nfs/dbraw/zinc/99/53/90/853995390.db2.gz	AROBOVPJNAGDPW-RVKKMQEKSA-N	1	0	354.458	1.936	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC2CC[NH+](C3CCOCC3)CC2)cc1F	ZINC000907328276	854082794	/nfs/dbraw/zinc/08/27/94/854082794.db2.gz	MWZHGSVUPHOHEB-UHFFFAOYSA-N	1	0	367.446	1.619	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1OC	ZINC001212148759	862555053	/nfs/dbraw/zinc/55/50/53/862555053.db2.gz	RAQKPOJRDPHHLV-QZTJIDSGSA-N	1	0	361.490	1.457	20	30		FDEDRO
COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)CC(C)(C)C#N	ZINC000486525745	854754813	/nfs/dbraw/zinc/75/48/13/854754813.db2.gz	GHCHHFQIUGDVQI-UHFFFAOYSA-N	1	0	358.442	1.961	20	30		FDEDRO
N#Cc1cc(F)ccc1CS(=O)(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO	ZINC000908014273	854910082	/nfs/dbraw/zinc/91/00/82/854910082.db2.gz	GXIWXMONHMOHPX-IAGOWNOFSA-N	1	0	367.446	1.058	20	30		FDEDRO
CSc1nc(C2CC2)cc(C(=O)N[C@@H](CO)C[NH+]2CCCC2)c1C#N	ZINC000908203455	855189141	/nfs/dbraw/zinc/18/91/41/855189141.db2.gz	DIMREBLTBPCTDM-CYBMUJFWSA-N	1	0	360.483	1.739	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)NC[C@](C)(O)Cc1ccc(OC)c(OC)c1	ZINC000908290998	855287169	/nfs/dbraw/zinc/28/71/69/855287169.db2.gz	HIDNVTACSMARIE-LJQANCHMSA-N	1	0	350.459	1.621	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C	ZINC000908459271	855443766	/nfs/dbraw/zinc/44/37/66/855443766.db2.gz	DUEKMHDAZDNMEW-WMLDXEAASA-N	1	0	367.519	1.281	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C	ZINC000908460467	855445764	/nfs/dbraw/zinc/44/57/64/855445764.db2.gz	UPNCLSBTIDQNQT-RHSMWYFYSA-N	1	0	367.519	1.424	20	30		FDEDRO
C#CCCCc1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1C	ZINC000908532403	855540018	/nfs/dbraw/zinc/54/00/18/855540018.db2.gz	UTFPNTCUSNTLCP-HDICACEKSA-N	1	0	358.534	1.766	20	30		FDEDRO
C=CCn1c(-c2cn(C)nn2)nnc1N1CCN(c2cc[nH+]cc2)[C@@H](C)C1	ZINC000908694847	855684049	/nfs/dbraw/zinc/68/40/49/855684049.db2.gz	GQNAZMHANSLXNN-AWEZNQCLSA-N	1	0	365.445	1.370	20	30		FDEDRO
C#CCCCc1nnc(N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)n1CC	ZINC000908879784	855939416	/nfs/dbraw/zinc/93/94/16/855939416.db2.gz	HMIRFAAKIPGTRJ-UHFFFAOYSA-N	1	0	372.517	1.564	20	30		FDEDRO
C#CCCCc1nnc(N2CCC([NH+]3CCN(C)CC3)CC2)n1CC1CC1	ZINC000910429525	857194920	/nfs/dbraw/zinc/19/49/20/857194920.db2.gz	ILEJRYBLEGGPHE-UHFFFAOYSA-N	1	0	370.545	1.860	20	30		FDEDRO
CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N(C)Cc1cc(C#N)cs1	ZINC000910553528	857318814	/nfs/dbraw/zinc/31/88/14/857318814.db2.gz	GLGCRBATHWDFRB-UHFFFAOYSA-N	1	0	350.488	1.624	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21	ZINC000910669625	857486720	/nfs/dbraw/zinc/48/67/20/857486720.db2.gz	KRDNFHSCCKBQBZ-GDBMZVCRSA-N	1	0	360.483	1.521	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1	ZINC000910728484	857562496	/nfs/dbraw/zinc/56/24/96/857562496.db2.gz	IFMREEXTKVOYCB-CFLQYTFWSA-N	1	0	354.454	1.488	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CC[C@H](Oc2ccccc2)C1)C1CC[NH+](C)CC1	ZINC000910886958	857839848	/nfs/dbraw/zinc/83/98/48/857839848.db2.gz	OEDQGKMWRKNHSZ-IBGZPJMESA-N	1	0	369.465	1.222	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccncc1	ZINC000911000066	858015255	/nfs/dbraw/zinc/01/52/55/858015255.db2.gz	BQWHDQAERFIFKK-IAGOWNOFSA-N	1	0	372.469	1.090	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)NCc1ccc(CN2CC[NH2+]CC2)cc1	ZINC000911079842	858089053	/nfs/dbraw/zinc/08/90/53/858089053.db2.gz	RCOGNXHECPHYTL-QGZVFWFLSA-N	1	0	372.513	1.569	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CC[NH2+]CCC12CCOCC2)c1ccc(C#N)cc1	ZINC000911134390	858199684	/nfs/dbraw/zinc/19/96/84/858199684.db2.gz	OOXKIWBEJRMILX-HNNXBMFYSA-N	1	0	370.453	1.107	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]CC2)CC1	ZINC000911333360	858473986	/nfs/dbraw/zinc/47/39/86/858473986.db2.gz	RQIQVPNOANAPDZ-INIZCTEOSA-N	1	0	351.491	1.324	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1	ZINC000911332701	858474035	/nfs/dbraw/zinc/47/40/35/858474035.db2.gz	ZVVMYAKSRXEPCQ-QWRGUYRKSA-N	1	0	353.410	1.150	20	30		FDEDRO
O=C(N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O)c1ccc2c[nH+]cn2c1	ZINC001083644974	858575243	/nfs/dbraw/zinc/57/52/43/858575243.db2.gz	DVSUQWPTMWRTTB-UXHICEINSA-N	1	0	360.417	1.161	20	30		FDEDRO
CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C1CCC([NH+]2CCOCC2)CC1	ZINC000911873598	859079638	/nfs/dbraw/zinc/07/96/38/859079638.db2.gz	VGMUFUXVDAPMDS-LYBXBRPPSA-N	1	0	371.481	1.941	20	30		FDEDRO
C[NH+]1CCC(N(CCO)C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1	ZINC000911943240	859141070	/nfs/dbraw/zinc/14/10/70/859141070.db2.gz	KYFXFPMGTAHDNL-UHFFFAOYSA-N	1	0	353.426	1.273	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1	ZINC000668910987	859221995	/nfs/dbraw/zinc/22/19/95/859221995.db2.gz	NUADTGRLYZQDOM-DLBZAZTESA-N	1	0	362.518	1.086	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)[C@@H](O)C1	ZINC001083651198	859386164	/nfs/dbraw/zinc/38/61/64/859386164.db2.gz	HOOOOYAVLALORK-ZRNYENFQSA-N	1	0	358.482	1.904	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)cc1	ZINC000912383319	859664351	/nfs/dbraw/zinc/66/43/51/859664351.db2.gz	PDWUDFIZAKOEOR-SFHVURJKSA-N	1	0	363.483	1.365	20	30		FDEDRO
C#CCN(C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)C1CSC1	ZINC000912361961	859674437	/nfs/dbraw/zinc/67/44/37/859674437.db2.gz	LXUSHPQMDBOFCL-AWEZNQCLSA-N	1	0	355.504	1.409	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)CCC[C@@H]12	ZINC000991381616	859729100	/nfs/dbraw/zinc/72/91/00/859729100.db2.gz	DKHBZBPSMOAUJL-NYTXWWLZSA-N	1	0	360.376	1.469	20	30		FDEDRO
CC[C@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)C(C)(C)C	ZINC001106869175	881487793	/nfs/dbraw/zinc/48/77/93/881487793.db2.gz	UYCCEEOUKMIXGV-BZUAXINKSA-N	1	0	350.507	1.773	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCC(c2nccc(N3CCOCC3)n2)CC1	ZINC000912773799	860209118	/nfs/dbraw/zinc/20/91/18/860209118.db2.gz	AAUQVTLVUDHINV-UHFFFAOYSA-N	1	0	373.501	1.527	20	30		FDEDRO
COCCN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1CCOC1	ZINC000490083454	860833113	/nfs/dbraw/zinc/83/31/13/860833113.db2.gz	BZRGDEFGWRIWND-KRWDZBQOSA-N	1	0	369.425	1.420	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@H]2COC[C@H]2C1	ZINC000669032218	860841998	/nfs/dbraw/zinc/84/19/98/860841998.db2.gz	DKGHHASDNTUBAA-HZMVEIRTSA-N	1	0	359.474	1.473	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@]2(CCOC2)C1	ZINC000669034650	860851957	/nfs/dbraw/zinc/85/19/57/860851957.db2.gz	UOYWMYRCZLJJOS-GJYPPUQNSA-N	1	0	359.474	1.617	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1	ZINC000669034178	860857387	/nfs/dbraw/zinc/85/73/87/860857387.db2.gz	ISDMHQAQKLXRNA-MLHJIOFPSA-N	1	0	373.501	1.863	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CC[C@@H]([NH+]2CCC2)C1	ZINC000912902779	861035292	/nfs/dbraw/zinc/03/52/92/861035292.db2.gz	FXBQMXXJRFDULO-CABCVRRESA-N	1	0	350.463	1.880	20	30		FDEDRO
C#CC[C@H]1CCN(C(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2CCCCC2)C1	ZINC000912985250	861153632	/nfs/dbraw/zinc/15/36/32/861153632.db2.gz	CKXBMNRWRSLGAU-YJBOKZPZSA-N	1	0	356.470	1.889	20	30		FDEDRO
C#CC1(O)CCN(C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)CC1	ZINC000912968427	861160076	/nfs/dbraw/zinc/16/00/76/861160076.db2.gz	OGGGYWDQFMQEEE-UHFFFAOYSA-N	1	0	356.466	1.491	20	30		FDEDRO
CC(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#Cc2ccccc2)[C@H](C)C1	ZINC001105776136	863099716	/nfs/dbraw/zinc/09/97/16/863099716.db2.gz	SUPXURGOPVYLCK-UYAOXDASSA-N	1	0	369.509	1.885	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccoc2CCC)C[C@H]1C	ZINC001106872674	881626019	/nfs/dbraw/zinc/62/60/19/881626019.db2.gz	DIVASJOMHFIDCK-BZUAXINKSA-N	1	0	359.470	1.668	20	30		FDEDRO
COC(=O)NCC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccc(F)cc2)[C@H](C)C1	ZINC001105874602	863585011	/nfs/dbraw/zinc/58/50/11/863585011.db2.gz	PFURGKVQKQMJKO-GDBMZVCRSA-N	1	0	361.417	1.217	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)/C(C)=C/CC)C[C@H]1C	ZINC001105894037	863734927	/nfs/dbraw/zinc/73/49/27/863734927.db2.gz	NLSTWJHJHUYMAO-QBAFZHEJSA-N	1	0	364.490	1.427	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ncoc2C)C[C@H]1C	ZINC001105895996	863769840	/nfs/dbraw/zinc/76/98/40/863769840.db2.gz	MCBBYSSEFUEMON-GDBMZVCRSA-N	1	0	360.458	1.481	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NCC=C)[C@H](C)C1	ZINC001105924688	864040492	/nfs/dbraw/zinc/04/04/92/864040492.db2.gz	WDRKGXVLVRCAMW-QLFBSQMISA-N	1	0	350.463	1.037	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2nnc(C3CCC3)n2C)[C@H](C)C1	ZINC001105941956	864153498	/nfs/dbraw/zinc/15/34/98/864153498.db2.gz	RYWBAJYDDOHCRV-GDBMZVCRSA-N	1	0	361.490	1.469	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCc3ccccc32)[C@H](C)C1	ZINC001105951302	864209222	/nfs/dbraw/zinc/20/92/22/864209222.db2.gz	AKDUTFOVPZFWKJ-LZLYRXPVSA-N	1	0	368.481	1.810	20	30		FDEDRO
COCCOCC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccc(F)cc2)[C@H](C)C1	ZINC001105951328	864209570	/nfs/dbraw/zinc/20/95/70/864209570.db2.gz	BPIDABOWQNZIDJ-SJLPKXTDSA-N	1	0	362.445	1.524	20	30		FDEDRO
COc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)c1	ZINC001105951365	864210581	/nfs/dbraw/zinc/21/05/81/864210581.db2.gz	DAEPXRBTEFXVEX-RRFJBIMHSA-N	1	0	358.442	1.477	20	30		FDEDRO
Cc1ccc(CNC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)cc1	ZINC001105951564	864210736	/nfs/dbraw/zinc/21/07/36/864210736.db2.gz	HDCJKMYZBYVFIV-LZLYRXPVSA-N	1	0	356.470	1.455	20	30		FDEDRO
CC(C)n1nccc1NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C	ZINC001105952108	864211318	/nfs/dbraw/zinc/21/13/18/864211318.db2.gz	QTPPRADCFXCQMX-RBSFLKMASA-N	1	0	360.462	1.246	20	30		FDEDRO
Cc1ccccc1CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C	ZINC001105952141	864211765	/nfs/dbraw/zinc/21/17/65/864211765.db2.gz	RZUDUPAUWDTYQT-JFIYKMOQSA-N	1	0	356.470	1.455	20	30		FDEDRO
COCCOCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1	ZINC001105953318	864217434	/nfs/dbraw/zinc/21/74/34/864217434.db2.gz	RVZGIRSMVNJFBP-ZIAGYGMSSA-N	1	0	351.472	1.467	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000761172802	864273184	/nfs/dbraw/zinc/27/31/84/864273184.db2.gz	BIMJLDMHTSDKHN-ABAIWWIYSA-N	1	0	360.389	1.265	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NCCC)[C@H](C)C1	ZINC001105984578	864341906	/nfs/dbraw/zinc/34/19/06/864341906.db2.gz	PTQBQXKBGSIJSJ-IXDOHACOSA-N	1	0	353.507	1.568	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]CC(=O)N1CCCC[C@@H]1C	ZINC001105985402	864347517	/nfs/dbraw/zinc/34/75/17/864347517.db2.gz	IOIJIXUQSNMBBP-HLLBOEOZSA-N	1	0	371.485	1.585	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]CC(=O)N1CCCCC1	ZINC001105985498	864348040	/nfs/dbraw/zinc/34/80/40/864348040.db2.gz	MJHHOORTEXKXFU-GDBMZVCRSA-N	1	0	357.458	1.197	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]CC(=O)NCC1CCC1	ZINC001105986001	864356023	/nfs/dbraw/zinc/35/60/23/864356023.db2.gz	YHNITRCBARGDTG-CZUORRHYSA-N	1	0	357.458	1.100	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+][C@@H]2CCCN(C)C2=O)[C@H](C)C1	ZINC001105987240	864361806	/nfs/dbraw/zinc/36/18/06/864361806.db2.gz	BCMGJMNLXOVOBR-BRWVUGGUSA-N	1	0	351.491	1.274	20	30		FDEDRO
CCC(CC)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC001105989236	864383397	/nfs/dbraw/zinc/38/33/97/864383397.db2.gz	TUSBRHIKONTKTP-UKRRQHHQSA-N	1	0	359.474	1.489	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](C[C@H](O)Cc3ccccc3)[C@@H]2C)c1	ZINC001088846414	864543857	/nfs/dbraw/zinc/54/38/57/864543857.db2.gz	MJTAUTTUMJPJLL-HBGVWJBISA-N	1	0	363.461	1.859	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](C[C@H]3CCNC(=O)CC3)[C@@H]2C)c1	ZINC001088847108	864555264	/nfs/dbraw/zinc/55/52/64/864555264.db2.gz	XORFCPQYCRULNI-KYJSFNMBSA-N	1	0	354.454	1.172	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCCO2)C[C@H]1OC	ZINC001212185406	864627972	/nfs/dbraw/zinc/62/79/72/864627972.db2.gz	UFCBEWRRUOEJBT-RCCFBDPRSA-N	1	0	352.475	1.191	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCNC2=O)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088854988	864696142	/nfs/dbraw/zinc/69/61/42/864696142.db2.gz	KUOSUKRHMCTWKQ-LIVBEALHSA-N	1	0	370.453	1.194	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]CC(=O)N1CCCCC1	ZINC001106024433	864778382	/nfs/dbraw/zinc/77/83/82/864778382.db2.gz	GIBIUGVYGPNHNM-GDBMZVCRSA-N	1	0	357.458	1.197	20	30		FDEDRO
CC(C)[C@@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC001106024474	864780115	/nfs/dbraw/zinc/78/01/15/864780115.db2.gz	HUQWXCVWRPBKTK-IIAWOOMASA-N	1	0	359.474	1.345	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC001106025050	864786652	/nfs/dbraw/zinc/78/66/52/864786652.db2.gz	OGIYUMSUNKDCNW-NVXWUHKLSA-N	1	0	371.485	1.609	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]CC(=O)N(C)CC1CC1	ZINC001106025436	864789689	/nfs/dbraw/zinc/78/96/89/864789689.db2.gz	UCFTYTKMXSIETA-CZUORRHYSA-N	1	0	357.458	1.052	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCCS(=O)(=O)C2)[C@H](C)C1	ZINC001106025654	864813846	/nfs/dbraw/zinc/81/38/46/864813846.db2.gz	BFICNFMCTSDWBO-KZNAEPCWSA-N	1	0	368.543	1.689	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2CC)[C@H](C)C1	ZINC001106029448	864881030	/nfs/dbraw/zinc/88/10/30/864881030.db2.gz	SDHSDEHIGBEHEK-VQIMIIECSA-N	1	0	355.482	1.573	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)COC(C)(C)C)C[C@H]1C	ZINC001106031574	864909790	/nfs/dbraw/zinc/90/97/90/864909790.db2.gz	DBEZBUREFNLKTJ-IAGOWNOFSA-N	1	0	365.518	1.686	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]C[C@H](OC)C2CCCC2)[C@H](C)C1	ZINC001106034603	864912509	/nfs/dbraw/zinc/91/25/09/864912509.db2.gz	IFRLLSWKQWIWEE-NXHRZFHOSA-N	1	0	363.502	1.015	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[C@@H](C)OC)C[C@H]1C	ZINC001106038429	864942750	/nfs/dbraw/zinc/94/27/50/864942750.db2.gz	QAIDMBRJMFVSFL-BRWVUGGUSA-N	1	0	366.506	1.248	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2cccs2)[C@H](C)C1	ZINC001106065757	865114114	/nfs/dbraw/zinc/11/41/14/865114114.db2.gz	GRDJTPBEENKBTB-HZPDHXFCSA-N	1	0	361.511	1.852	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1C	ZINC001106071132	865159101	/nfs/dbraw/zinc/15/91/01/865159101.db2.gz	UMXIXTYILIFYLT-HZPDHXFCSA-N	1	0	351.491	1.032	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O	ZINC001083848598	881863781	/nfs/dbraw/zinc/86/37/81/881863781.db2.gz	MOYIYMVMTUXQEB-RDGPPVDQSA-N	1	0	366.502	1.336	20	30		FDEDRO
CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(C#N)c1)[NH+]1CCCC1	ZINC001004905167	881866737	/nfs/dbraw/zinc/86/67/37/881866737.db2.gz	AQXXXPWHSDDOSQ-ZACQAIPSSA-N	1	0	369.469	1.622	20	30		FDEDRO
CC(=O)N1CC[C@](C)(C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)C1	ZINC001088965048	865765596	/nfs/dbraw/zinc/76/55/96/865765596.db2.gz	YPUQZBUNPXHLBC-JJXUHFIVSA-N	1	0	368.481	1.896	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H](F)CC2CCCCC2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106881530	881907764	/nfs/dbraw/zinc/90/77/64/881907764.db2.gz	FGTHJXNPKKAYIV-OIISXLGYSA-N	1	0	366.481	1.619	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccc(OC)nn3)[C@@H]2C)nc1	ZINC001088990490	865948950	/nfs/dbraw/zinc/94/89/50/865948950.db2.gz	ZCYFJQZNKAZNGG-CJNGLKHVSA-N	1	0	351.410	1.254	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C[C@H]3CCNC(=O)CC3)[C@@H]2C)nc1	ZINC001088990845	865951140	/nfs/dbraw/zinc/95/11/40/865951140.db2.gz	SILOAIPVUNVTML-OIISXLGYSA-N	1	0	354.454	1.172	20	30		FDEDRO
Cc1ccc(=O)n(CC(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)n1	ZINC001088994997	865971848	/nfs/dbraw/zinc/97/18/48/865971848.db2.gz	UEDCHYUWKGQWJH-QAPCUYQASA-N	1	0	365.437	1.203	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(=O)n(C)n2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001089023141	866118844	/nfs/dbraw/zinc/11/88/44/866118844.db2.gz	FZEWXSCZEHXLTR-CJNGLKHVSA-N	1	0	351.410	1.045	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(C(N)=O)cn2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001089072413	866539921	/nfs/dbraw/zinc/53/99/21/866539921.db2.gz	BSZKGRPDSSJPJF-DYVFJYSZSA-N	1	0	363.421	1.445	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H](OC)C1	ZINC000946775964	882074149	/nfs/dbraw/zinc/07/41/49/882074149.db2.gz	WQNDUCFWQPJGRN-BZUAXINKSA-N	1	0	351.491	1.273	20	30		FDEDRO
Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)ncc1C#N	ZINC000457662264	867608608	/nfs/dbraw/zinc/60/86/08/867608608.db2.gz	HYMQOLQBPXVWDE-FXAWDEMLSA-N	1	0	364.449	1.875	20	30		FDEDRO
C=CCn1c(COC)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1	ZINC000669818040	867760770	/nfs/dbraw/zinc/76/07/70/867760770.db2.gz	CALIJOWNJVQVJC-UHFFFAOYSA-N	1	0	370.501	1.869	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000428786513	867922781	/nfs/dbraw/zinc/92/27/81/867922781.db2.gz	NULBDLYPYRMPGM-SIXWZSSISA-N	1	0	355.442	1.849	20	30		FDEDRO
CNC(=O)NCCC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1	ZINC001106090301	867928833	/nfs/dbraw/zinc/92/88/33/867928833.db2.gz	KKVQNIYHBBIFCB-RHSMWYFYSA-N	1	0	357.458	1.061	20	30		FDEDRO
Cc1ccccc1CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1C	ZINC001106105034	868136131	/nfs/dbraw/zinc/13/61/31/868136131.db2.gz	KMJKAJCFPDBZAI-UYAOXDASSA-N	1	0	369.509	1.955	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C	ZINC001106105998	868164079	/nfs/dbraw/zinc/16/40/79/868164079.db2.gz	CQDQLGIIJRNMRJ-ZIFCJYIRSA-N	1	0	359.514	1.897	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(NC(=O)[C@H]4C[C@H]4C(N)=O)CCC[C@@H]23)cc1F	ZINC000992177563	868174021	/nfs/dbraw/zinc/17/40/21/868174021.db2.gz	JZOQSATVRZEKOL-MJEZEWASSA-N	1	0	370.428	1.432	20	30		FDEDRO
COc1coc(C[NH2+]C[C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2C)cc1=O	ZINC001106108053	868264752	/nfs/dbraw/zinc/26/47/52/868264752.db2.gz	NUYFIZDWKLENED-HUUCEWRRSA-N	1	0	360.454	1.882	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C[NH2+]C[C@H]1CCCS(=O)(=O)C1	ZINC001106109584	868301385	/nfs/dbraw/zinc/30/13/85/868301385.db2.gz	OGAANOTXVGKXQA-BRWVUGGUSA-N	1	0	368.543	1.545	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC(CNC(=O)C23CC[NH+](CC2)C3)C1	ZINC000992242388	868559478	/nfs/dbraw/zinc/55/94/78/868559478.db2.gz	GEGYDPBNUBFMOV-GQGLESIBSA-N	1	0	361.486	1.074	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cnn(C(C)(C)C)c2)[C@H](C)C1	ZINC001106116621	868577579	/nfs/dbraw/zinc/57/75/79/868577579.db2.gz	IMOHDJNHBWYOGC-SOLBZPMBSA-N	1	0	360.502	1.861	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]CCOc2cccc(F)c2)[C@H](C)C1	ZINC001106117674	868602294	/nfs/dbraw/zinc/60/22/94/868602294.db2.gz	YVEJROJZYJNTNZ-IAGOWNOFSA-N	1	0	362.445	1.929	20	30		FDEDRO
C[C@@H]1CN(C(=O)CO[C@H]2CCOC2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106120997	868766821	/nfs/dbraw/zinc/76/68/21/868766821.db2.gz	JDQJLVHFLWSFTL-RLLQIKCJSA-N	1	0	356.466	1.528	20	30		FDEDRO
C=C(C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001061631194	882243152	/nfs/dbraw/zinc/24/31/52/882243152.db2.gz	OZVYZTIPCBUUCU-IXDOHACOSA-N	1	0	351.491	1.417	20	30		FDEDRO
COc1cc(CNC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)ccc1C#N	ZINC000460674174	869205880	/nfs/dbraw/zinc/20/58/80/869205880.db2.gz	QUBQXNPTFZKFBI-HNNXBMFYSA-N	1	0	360.458	1.867	20	30		FDEDRO
C[N@@H+]1CCC[C@](O)(CC(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)C1	ZINC000913725029	869504759	/nfs/dbraw/zinc/50/47/59/869504759.db2.gz	QKWCUTHQNVPSRU-IBGZPJMESA-N	1	0	353.426	1.588	20	30		FDEDRO
Cc1ccc(C(=O)/C=C/C(=O)N2CCC(N3CC[NH+](C)CC3)CC2)cc1	ZINC000913760691	869584248	/nfs/dbraw/zinc/58/42/48/869584248.db2.gz	OLMPVYDUKVQFGA-BQYQJAHWSA-N	1	0	355.482	1.972	20	30		FDEDRO
C=C(C)C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)C(=O)OCC	ZINC000916730595	882348549	/nfs/dbraw/zinc/34/85/49/882348549.db2.gz	IYQAPUXWMBHHDB-QGZVFWFLSA-N	1	0	374.485	1.608	20	30		FDEDRO
C[NH+]1CCN(Cc2ccc(CNC(=O)N3CCC[C@@H](C#N)C3)cc2)CC1	ZINC000914021831	870387450	/nfs/dbraw/zinc/38/74/50/870387450.db2.gz	CPOHUZBUUHVQDG-IBGZPJMESA-N	1	0	355.486	1.879	20	30		FDEDRO
C#CC[C@@H](CO)NC(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1	ZINC000914114174	870855580	/nfs/dbraw/zinc/85/55/80/870855580.db2.gz	RBPHVPOKVUEPAA-SFHVURJKSA-N	1	0	358.486	1.191	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1	ZINC000922081458	871888225	/nfs/dbraw/zinc/88/82/25/871888225.db2.gz	LBNSBYCRDZFPNY-HNNXBMFYSA-N	1	0	356.879	1.767	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccnc(N3CCCC3)n2)[C@H](OC)C1	ZINC001212489930	872236001	/nfs/dbraw/zinc/23/60/01/872236001.db2.gz	ZSZYYQQGUSYIQG-IAGOWNOFSA-N	1	0	359.474	1.472	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)Nc2nc(Cl)c(C#N)s2)CC1(C)C	ZINC000888420898	872317607	/nfs/dbraw/zinc/31/76/07/872317607.db2.gz	QOCFSNAGGBKQOU-UHFFFAOYSA-N	1	0	356.883	1.816	20	30		FDEDRO
C#CCN(C(=O)NCCN1C(=O)c2ccccc2C1=O)C1CC[NH+](C)CC1	ZINC000914329808	872386163	/nfs/dbraw/zinc/38/61/63/872386163.db2.gz	BPMAVLMXJFWQTR-UHFFFAOYSA-N	1	0	368.437	1.022	20	30		FDEDRO
C=CCOc1ccccc1C(=O)NCC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001003066376	872491921	/nfs/dbraw/zinc/49/19/21/872491921.db2.gz	VTPZFPCHFZQTNB-NVXWUHKLSA-N	1	0	371.481	1.780	20	30		FDEDRO
COc1ccc(CN2C[C@@H](NC(=O)c3cc(C)co3)[C@@H](O)C2)cc1C#N	ZINC001083713584	872725537	/nfs/dbraw/zinc/72/55/37/872725537.db2.gz	CRHQTHJWAMMALC-CVEARBPZSA-N	1	0	355.394	1.443	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C[NH2+]CC#Cc1ccc(Cl)cc1	ZINC001106181932	873023360	/nfs/dbraw/zinc/02/33/60/873023360.db2.gz	BCCKNJHAGUVDKK-NVXWUHKLSA-N	1	0	371.872	1.667	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2sc(Cl)nc2C)C[C@H]1C	ZINC001106182532	873033519	/nfs/dbraw/zinc/03/35/19/873033519.db2.gz	XNTZANMFLADACS-ZYHUDNBSSA-N	1	0	368.890	1.152	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCC[C@H](C)O)C2)nn1	ZINC001112541964	873083263	/nfs/dbraw/zinc/08/32/63/873083263.db2.gz	YESRFRTVFKVAIT-BXWFABGCSA-N	1	0	361.490	1.457	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]3(C)C2)C1	ZINC000992899354	873144718	/nfs/dbraw/zinc/14/47/18/873144718.db2.gz	QECQDQPMOBGOCH-CNNODRBYSA-N	1	0	371.525	1.685	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(C)o2)CC1	ZINC001003362907	873215942	/nfs/dbraw/zinc/21/59/42/873215942.db2.gz	HNZPNVGMJRBHND-KURKYZTESA-N	1	0	369.465	1.795	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@]3(C)C2)cc1	ZINC000992933337	873263466	/nfs/dbraw/zinc/26/34/66/873263466.db2.gz	CAQYEVXYFCXVQT-KNKQGSTJSA-N	1	0	365.477	1.540	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H](OCC)C(=C)C)C[C@H]1C	ZINC001106197133	873426447	/nfs/dbraw/zinc/42/64/47/873426447.db2.gz	HVTWVUNLVKWSBZ-BRWVUGGUSA-N	1	0	351.491	1.344	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1)OCC	ZINC001106197251	873454025	/nfs/dbraw/zinc/45/40/25/873454025.db2.gz	NJPCXYSIDAWVMP-BZUAXINKSA-N	1	0	360.520	1.086	20	30		FDEDRO
CC(C)C(=O)N(C)CC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1	ZINC001106198879	873631789	/nfs/dbraw/zinc/63/17/89/873631789.db2.gz	REUFTDCMEJUJAB-UYAOXDASSA-N	1	0	369.509	1.837	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ncccc2NC(C)=O)C[C@H]1C	ZINC001106222877	873966000	/nfs/dbraw/zinc/96/60/00/873966000.db2.gz	YOHFIJLSIXFHOI-GDBMZVCRSA-N	1	0	360.458	1.540	20	30		FDEDRO
C=CCN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3C[C@H]3c3ccco3)CC2)C1=O	ZINC001003673514	874000861	/nfs/dbraw/zinc/00/08/61/874000861.db2.gz	HYJAKGSXNKNYLF-ZACQAIPSSA-N	1	0	357.454	1.751	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3nccnc3C)[C@H](C)C2)CCOCC1	ZINC001106235196	874047030	/nfs/dbraw/zinc/04/70/30/874047030.db2.gz	LZQKDCMKTAMQJO-SJLPKXTDSA-N	1	0	370.497	1.789	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3nn(CC)nc3C)[C@H](C)C2)CCC1	ZINC001106237807	874067118	/nfs/dbraw/zinc/06/71/18/874067118.db2.gz	SKNSYAUCJOPJHI-NVXWUHKLSA-N	1	0	357.502	1.984	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C2CC2)[C@H](C)C1	ZINC001106252282	874144982	/nfs/dbraw/zinc/14/49/82/874144982.db2.gz	KBGQHFGUOFCMBY-HZPDHXFCSA-N	1	0	358.486	1.593	20	30		FDEDRO
CC[C@H](C(=O)N1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@]2(C)C1)[NH+](C)C	ZINC000993072163	874147888	/nfs/dbraw/zinc/14/78/88/874147888.db2.gz	KYRJBBBFPZVQEJ-OGWOLHLISA-N	1	0	357.458	1.147	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N[C@H]1CCc2ncc(Br)n2C1	ZINC001122433442	874216111	/nfs/dbraw/zinc/21/61/11/874216111.db2.gz	YUYKJFMJJIMDOR-WDEREUQCSA-N	1	0	354.252	1.488	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1C	ZINC001106266433	874260519	/nfs/dbraw/zinc/26/05/19/874260519.db2.gz	JMZFTSSLKLXSNC-KFWWJZLASA-N	1	0	352.479	1.239	20	30		FDEDRO
CCN(C(=O)Cn1cnc(C#N)n1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1	ZINC000495060044	874425027	/nfs/dbraw/zinc/42/50/27/874425027.db2.gz	PMGPVWLRBMTWCZ-WBVHZDCISA-N	1	0	352.442	1.834	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106286504	874470468	/nfs/dbraw/zinc/47/04/68/874470468.db2.gz	GHAGOMHSSMMYSM-RHSMWYFYSA-N	1	0	368.412	1.671	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cscc2Cl)C[C@H]1C	ZINC001106289787	874523212	/nfs/dbraw/zinc/52/32/12/874523212.db2.gz	CINLYLARWXGCGB-VXGBXAGGSA-N	1	0	353.875	1.449	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2nc(C)sc2C)C[C@H]1C	ZINC001106305648	874668094	/nfs/dbraw/zinc/66/80/94/874668094.db2.gz	FCVNZXLHXZDHFS-TYNCELHUSA-N	1	0	364.515	1.748	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C/C=C\c2ccc(F)cc2)C[C@H]1C	ZINC001106313372	874751903	/nfs/dbraw/zinc/75/19/03/874751903.db2.gz	YHJHSCPUKIVEEM-ZFTGLFDFSA-N	1	0	371.456	1.663	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cn3c(n2)C[C@@H](C)CC3)C[C@H]1C	ZINC001106314808	874754643	/nfs/dbraw/zinc/75/46/43/874754643.db2.gz	SZRCFZWAVPPQHH-GVDBMIGSSA-N	1	0	358.486	1.413	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cn3cc(C)ccc3n2)C[C@H]1C	ZINC001106316127	874757535	/nfs/dbraw/zinc/75/75/35/874757535.db2.gz	FJVBNASBGILIND-IAGOWNOFSA-N	1	0	354.454	1.590	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ncn3ccc(C)cc23)C[C@H]1C	ZINC001106347084	874847062	/nfs/dbraw/zinc/84/70/62/874847062.db2.gz	JOUCBPPRZNEHLS-HZPDHXFCSA-N	1	0	369.469	1.243	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)cc(C)n2)C[C@H]1C	ZINC001106355564	874886797	/nfs/dbraw/zinc/88/67/97/874886797.db2.gz	MVAYAOXORFUPKH-DJIMGWMZSA-N	1	0	358.486	1.687	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc(C(C)C)n2)C[C@H]1C	ZINC001106382504	875013421	/nfs/dbraw/zinc/01/34/21/875013421.db2.gz	ONMUJVJFEGXXJB-BRWVUGGUSA-N	1	0	370.497	1.641	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C)c(OC)c2)C[C@H]1C	ZINC001106394979	875084762	/nfs/dbraw/zinc/08/47/62/875084762.db2.gz	LSSUFVFQFIFTGJ-SOLBZPMBSA-N	1	0	371.481	1.439	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2nncc3ccccc32)C[C@H]1C	ZINC001106407642	875155809	/nfs/dbraw/zinc/15/58/09/875155809.db2.gz	FLGVBKKTIBAUBH-NVXWUHKLSA-N	1	0	352.438	1.577	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)CCOC3)C[C@H]1C	ZINC001106412469	875159597	/nfs/dbraw/zinc/15/95/97/875159597.db2.gz	QEBPGEFJKIBUNE-OXQOHEQNSA-N	1	0	356.466	1.707	20	30		FDEDRO
O=C(C#Cc1ccc2c(c1)OCO2)N1CCC[N@H+](C[C@H]2CCCO2)CC1	ZINC000762130288	875247130	/nfs/dbraw/zinc/24/71/30/875247130.db2.gz	IUPOAQNCWVHCAD-QGZVFWFLSA-N	1	0	356.422	1.480	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cc(=O)c(OC)co2)C[C@H]1C	ZINC001106427881	875261493	/nfs/dbraw/zinc/26/14/93/875261493.db2.gz	LXQULNSQVUKOBS-ZIAGYGMSSA-N	1	0	350.415	1.149	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CN2CCCCS2(=O)=O)C[C@H]1C	ZINC001106433689	875296824	/nfs/dbraw/zinc/29/68/24/875296824.db2.gz	PYRINLPXHHHJIU-HZPDHXFCSA-N	1	0	357.520	1.062	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc3c2O[C@@H](C)C3)C[C@H]1C	ZINC001106444189	875324303	/nfs/dbraw/zinc/32/43/03/875324303.db2.gz	GDOZSDMFPIFHBJ-SOLBZPMBSA-N	1	0	356.466	1.958	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccncc2OC(C)C)C[C@H]1C	ZINC001106468224	875530927	/nfs/dbraw/zinc/53/09/27/875530927.db2.gz	GSAJNSJZIJFBHB-IAGOWNOFSA-N	1	0	359.470	1.816	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCOCCNC(C)=O)[C@H](C)C2)cc1	ZINC001106512318	875799753	/nfs/dbraw/zinc/79/97/53/875799753.db2.gz	JMBZAQITYMLSIZ-OXQOHEQNSA-N	1	0	371.481	1.118	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCO[C@@H](C)C2)[C@H](C)C1	ZINC001106518313	875815856	/nfs/dbraw/zinc/81/58/56/875815856.db2.gz	LEVWESJJYBUIBO-IXDOHACOSA-N	1	0	365.518	1.520	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@@H]2CCOC2)[C@H](C)C1	ZINC001106528468	875848901	/nfs/dbraw/zinc/84/89/01/875848901.db2.gz	ADIUQSLGISISLD-OWCLPIDISA-N	1	0	351.491	1.035	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCOCC)[C@H](C)C1	ZINC001106557796	875949735	/nfs/dbraw/zinc/94/97/35/875949735.db2.gz	HJVKWZIOJMLMQC-IAGOWNOFSA-N	1	0	351.491	1.017	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CCN2CCCS2(=O)=O)[C@H](C)C1	ZINC001106563692	875962703	/nfs/dbraw/zinc/96/27/03/875962703.db2.gz	INRUFJVLNDHHFY-BRWVUGGUSA-N	1	0	371.547	1.308	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cnccn2)[C@H](C)C1	ZINC001106559236	875966344	/nfs/dbraw/zinc/96/63/44/875966344.db2.gz	KFJQCFZSIZGMAZ-HZPDHXFCSA-N	1	0	357.458	1.293	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1C	ZINC001106571493	875986268	/nfs/dbraw/zinc/98/62/68/875986268.db2.gz	FHSXONVSJYRYGZ-NVXWUHKLSA-N	1	0	362.474	1.326	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(c3cccnc3)CC2)C[C@H]1C	ZINC001106571002	876000026	/nfs/dbraw/zinc/00/00/26/876000026.db2.gz	JAWGHBJNQKPQJO-BRWVUGGUSA-N	1	0	370.497	1.488	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)C2CCN(CC(F)F)CC2)C[C@H]1C	ZINC001106585221	876044452	/nfs/dbraw/zinc/04/44/52/876044452.db2.gz	UEGYOOHIPPAVAS-NVXWUHKLSA-N	1	0	371.472	1.297	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCN(CC(F)F)C2)C[C@H]1C	ZINC001106590860	876057181	/nfs/dbraw/zinc/05/71/81/876057181.db2.gz	BVBWUOWIOZBJNN-IXDOHACOSA-N	1	0	371.472	1.297	20	30		FDEDRO
C[C@H](c1ccccc1)[N@@H+]1C[C@@H](NC(=O)CSCC#N)[C@@H](n2ccnn2)C1	ZINC001128732297	882992875	/nfs/dbraw/zinc/99/28/75/882992875.db2.gz	XOTYDMRSPBQNBK-OIISXLGYSA-N	1	0	370.482	1.638	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CC)C[C@H]1C	ZINC001106594441	876079349	/nfs/dbraw/zinc/07/93/49/876079349.db2.gz	SFWYFRZTEYARHD-SOLBZPMBSA-N	1	0	355.482	1.685	20	30		FDEDRO
CCCc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)cc1	ZINC001106596374	876095738	/nfs/dbraw/zinc/09/57/38/876095738.db2.gz	UYLFYZNVRKAHEG-CRAIPNDOSA-N	1	0	356.470	1.577	20	30		FDEDRO
C#CCN(C(=O)NCc1ccccc1OCC[NH+](C)C)C1CC[NH+](C)CC1	ZINC000915361021	876132428	/nfs/dbraw/zinc/13/24/28/876132428.db2.gz	MCSPILKMEOCLGC-UHFFFAOYSA-N	1	0	372.513	1.866	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@H]2CCOC2)[C@H](C)C1	ZINC001106612818	876175026	/nfs/dbraw/zinc/17/50/26/876175026.db2.gz	OUOUUQGIXDCQBT-BRWVUGGUSA-N	1	0	351.491	1.180	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)[C@H](C)C1	ZINC001106611704	876195788	/nfs/dbraw/zinc/19/57/88/876195788.db2.gz	BBZSCIZREOXCAT-IXDOHACOSA-N	1	0	371.547	1.308	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c(F)ccc(C)c2F)C[C@H]1C	ZINC001106622990	876253357	/nfs/dbraw/zinc/25/33/57/876253357.db2.gz	BFROSZCMHCANDQ-ZIAGYGMSSA-N	1	0	365.424	1.873	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1C	ZINC001106625401	876280013	/nfs/dbraw/zinc/28/00/13/876280013.db2.gz	KITWONMVGFFTIR-MWLCHTKSSA-N	1	0	357.252	1.332	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(=O)NCC)[C@H](C)C2)CC1	ZINC001106633212	876283983	/nfs/dbraw/zinc/28/39/83/876283983.db2.gz	DJXLLCMOAWSHKR-HUUCEWRRSA-N	1	0	364.490	1.263	20	30		FDEDRO
N#Cc1cc(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H]3CCOC3)C2)c[nH]1	ZINC001099241296	876294096	/nfs/dbraw/zinc/29/40/96/876294096.db2.gz	WJBPVIPYAXESMP-LERXQTSPSA-N	1	0	356.348	1.515	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]CCNS(=O)(=O)CC)[C@H](C)C2)CCC1	ZINC001106635770	876316685	/nfs/dbraw/zinc/31/66/85/876316685.db2.gz	CFPFONYOPVBLLW-HZPDHXFCSA-N	1	0	371.547	1.356	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cccc(-n3cccn3)n2)C[C@H]1C	ZINC001106659010	876447027	/nfs/dbraw/zinc/44/70/27/876447027.db2.gz	TUQCRPPYKGZHDP-IAGOWNOFSA-N	1	0	369.469	1.768	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc[nH]c2C2CCC2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106665081	876472087	/nfs/dbraw/zinc/47/20/87/876472087.db2.gz	HFYYDVQDWMKRNB-UKRRQHHQSA-N	1	0	357.458	1.220	20	30		FDEDRO
CC[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1	ZINC001106690646	876583459	/nfs/dbraw/zinc/58/34/59/876583459.db2.gz	KNJXPXPTFUEVEV-NSISKUIASA-N	1	0	355.482	1.637	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)cc(F)c2)C[C@H]1C	ZINC001106692802	876591115	/nfs/dbraw/zinc/59/11/15/876591115.db2.gz	AYWLPYWWSLXBEF-BFYDXBDKSA-N	1	0	359.445	1.570	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCc3ccccc3C2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106700955	876609959	/nfs/dbraw/zinc/60/99/59/876609959.db2.gz	VLYUAQOXEPZVQX-ATZDWAIDSA-N	1	0	368.481	1.115	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)[C@H](C)C1	ZINC001106710998	876899002	/nfs/dbraw/zinc/89/90/02/876899002.db2.gz	GKJBSPKDRYUVGH-HUUCEWRRSA-N	1	0	359.536	1.164	20	30		FDEDRO
C[C@@H](Cc1cccs1)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106715224	876927041	/nfs/dbraw/zinc/92/70/41/876927041.db2.gz	BWQJSJOGXWHKLA-RRFJBIMHSA-N	1	0	362.499	1.251	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C(C)C)C[C@H]1C	ZINC001106722394	876961300	/nfs/dbraw/zinc/96/13/00/876961300.db2.gz	XRLIGKONSQHBDQ-BRWVUGGUSA-N	1	0	350.507	1.725	20	30		FDEDRO
CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(S(=O)(=O)Cc2csc(C#N)c2)C1	ZINC000915512242	876999365	/nfs/dbraw/zinc/99/93/65/876999365.db2.gz	JIRQASFJDYJVDP-GJZGRUSLSA-N	1	0	369.512	1.635	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCC(Cc2ncc(C(=O)OC)s2)CC1	ZINC000915525075	877008794	/nfs/dbraw/zinc/00/87/94/877008794.db2.gz	LPHSWGFLYHGBIX-UHFFFAOYSA-N	1	0	351.472	1.829	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]CCOc3ccccc3)[C@H](C)C2)nn1	ZINC001106743186	877438979	/nfs/dbraw/zinc/43/89/79/877438979.db2.gz	BTPFWWVSHQSUIE-IAGOWNOFSA-N	1	0	369.469	1.841	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC)[C@H](C)C1	ZINC001106748600	877464011	/nfs/dbraw/zinc/46/40/11/877464011.db2.gz	GGMOWKNRKUPZIA-VXNCWWDNSA-N	1	0	365.518	1.520	20	30		FDEDRO
C[C@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)C1CCCCC1	ZINC001106755200	877551136	/nfs/dbraw/zinc/55/11/36/877551136.db2.gz	PGUXLADWNXHJHN-JFIYKMOQSA-N	1	0	362.518	1.917	20	30		FDEDRO
CC(=O)NCC(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1	ZINC001106755425	877552598	/nfs/dbraw/zinc/55/25/98/877552598.db2.gz	XTUVTXQJOKDQGT-DNVCBOLYSA-N	1	0	370.497	1.905	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)C#CC4CC4)C[C@@]3(C)C2)CC1	ZINC000993364170	877557888	/nfs/dbraw/zinc/55/78/88/877557888.db2.gz	RDTWSACAGFYAPT-KNQAVFIVSA-N	1	0	371.525	1.827	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@]2(C)C1	ZINC000993375313	877690306	/nfs/dbraw/zinc/69/03/06/877690306.db2.gz	OZGBHVJOOCPKRF-FFZOFVMBSA-N	1	0	359.514	1.991	20	30		FDEDRO
C=CCCn1cc(CNC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)nn1	ZINC000657800479	877846953	/nfs/dbraw/zinc/84/69/53/877846953.db2.gz	FLRWSGSAWRZEPL-FQEVSTJZSA-N	1	0	354.502	1.760	20	30		FDEDRO
C[NH+]1CCC(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000272563768	877936431	/nfs/dbraw/zinc/93/64/31/877936431.db2.gz	NQQVOFUODKOMDY-QGZVFWFLSA-N	1	0	355.442	1.447	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CCC(=O)NC2CCCC2)C[C@H]1C	ZINC001106799378	878009916	/nfs/dbraw/zinc/00/99/16/878009916.db2.gz	ILLGYXHBEZZCIW-IAGOWNOFSA-N	1	0	365.518	1.712	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CCCN(c3ccc(C(=O)OCC)cn3)CC2)C1=O	ZINC000282120754	878081519	/nfs/dbraw/zinc/08/15/19/878081519.db2.gz	XSVKDDFYBCKCCB-KRWDZBQOSA-N	1	0	372.469	1.557	20	30		FDEDRO
C=CCN1CC[C@H](N2CCCN(C(=O)CCc3ccccc3)CC2)C1=O	ZINC000282132298	878235555	/nfs/dbraw/zinc/23/55/55/878235555.db2.gz	YXJASDVTHCAWCO-IBGZPJMESA-N	1	0	355.482	1.940	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c[nH]cc2C2CC2)C[C@H]1C	ZINC001106818505	878265878	/nfs/dbraw/zinc/26/58/78/878265878.db2.gz	OJMRRFGGRAYMGX-IJEWVQPXSA-N	1	0	358.486	1.881	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCO[C@@H]3C[N@H+](C[C@@H]4CCCCO4)C[C@@H]32)cc1	ZINC001083160766	912341156	/nfs/dbraw/zinc/34/11/56/912341156.db2.gz	RYEQSTPQBVDQGJ-SLFFLAALSA-N	1	0	354.450	1.762	20	30		FDEDRO
COc1cc(CNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)ccc1C#N	ZINC000922528712	878492610	/nfs/dbraw/zinc/49/26/10/878492610.db2.gz	CJCBHWOKCQLYFG-HOTGVXAUSA-N	1	0	360.483	1.946	20	30		FDEDRO
C=C(C)CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@H]1OCC[C@H]1C)CC2	ZINC001128049141	912380184	/nfs/dbraw/zinc/38/01/84/912380184.db2.gz	SCFCFWFVIUPBBW-VKJFTORMSA-N	1	0	361.490	1.580	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2c2nc(C)cc(C#N)n2)CC[N@@H+]1C	ZINC001061466139	878902992	/nfs/dbraw/zinc/90/29/92/878902992.db2.gz	FPSSLTDEIIGNFM-IXDOHACOSA-N	1	0	356.474	1.472	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCc2cnc3c(Cl)cnn3c2)CC1	ZINC000922652863	878918643	/nfs/dbraw/zinc/91/86/43/878918643.db2.gz	QFULYCNQBWJJFA-UHFFFAOYSA-N	1	0	360.849	1.322	20	30		FDEDRO
CN(C(=O)[C@]12C[C@H]1COC2)[C@@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)C1	ZINC001033098402	878955043	/nfs/dbraw/zinc/95/50/43/878955043.db2.gz	HMXSMSHIRCFUKV-QKLQHJQFSA-N	1	0	355.438	1.658	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)CC1	ZINC000922678178	878990141	/nfs/dbraw/zinc/99/01/41/878990141.db2.gz	CNHWJKZHKGDBMU-UONOGXRCSA-N	1	0	352.479	1.685	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+]2CCC)C1	ZINC000993818788	879757898	/nfs/dbraw/zinc/75/78/98/879757898.db2.gz	POBOFEWLXRAQCV-BZSNNMDCSA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@@H]2O)cc1	ZINC001083842293	879882727	/nfs/dbraw/zinc/88/27/27/879882727.db2.gz	FSNPJGAMZSGGJH-SJORKVTESA-N	1	0	364.392	1.519	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2OC)C1	ZINC000946632734	879920039	/nfs/dbraw/zinc/92/00/39/879920039.db2.gz	OTAALTAWSCBDNW-BZUAXINKSA-N	1	0	351.491	1.271	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)C1	ZINC000993876535	879939120	/nfs/dbraw/zinc/93/91/20/879939120.db2.gz	XSXBJDRSPQJFPX-SQWLQELKSA-N	1	0	357.458	1.052	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C[C@H]2OC)C1	ZINC000946635581	879958635	/nfs/dbraw/zinc/95/86/35/879958635.db2.gz	XEIKEFDLVCHPPE-IXDOHACOSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C	ZINC000994161316	880863934	/nfs/dbraw/zinc/86/39/34/880863934.db2.gz	MWLBWOFPONZDRK-ZACQAIPSSA-N	1	0	360.502	1.839	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)/C=C(\C)C3CC3)C[C@H]2C)CC1	ZINC000994138098	880901301	/nfs/dbraw/zinc/90/13/01/880901301.db2.gz	YSHQPNLWSAHERO-OKBDBCGNSA-N	1	0	371.525	1.899	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2c(C)coc2C)C[C@H]1C	ZINC000994195623	880988851	/nfs/dbraw/zinc/98/88/51/880988851.db2.gz	ZWGZITIYPZMGQN-OLMNPRSZSA-N	1	0	371.481	1.818	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC[NH+](C)CC2)cn1	ZINC001004740172	881179891	/nfs/dbraw/zinc/17/98/91/881179891.db2.gz	NUSABJFQILNHTE-QRVBRYPASA-N	1	0	366.465	1.266	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@@H]2CC[N@@H+](C)C2)cn1	ZINC001004744098	881197042	/nfs/dbraw/zinc/19/70/42/881197042.db2.gz	IKEZCCQMZPDIIU-PIKADFDJSA-N	1	0	366.465	1.266	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C	ZINC000994239357	881232790	/nfs/dbraw/zinc/23/27/90/881232790.db2.gz	JWVIXIXAJRUQSU-UNEWFSDZSA-N	1	0	357.458	1.195	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(COC)on1)C2	ZINC001112542731	883126786	/nfs/dbraw/zinc/12/67/86/883126786.db2.gz	NKJZLHZRQULPKZ-KXBFYZLASA-N	1	0	363.458	1.856	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCCN2C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC001005442914	883400765	/nfs/dbraw/zinc/40/07/65/883400765.db2.gz	RJLKRNYICIOGPY-ZTFGCOKTSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC/C=C\CC)C[C@@H]1n1ccnn1	ZINC001128786463	883577524	/nfs/dbraw/zinc/57/75/24/883577524.db2.gz	WDXRTMAVGWYXIA-VWWMXCSTSA-N	1	0	361.490	1.957	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](CCc2cnn(CC)c2)C1	ZINC001033955143	883582616	/nfs/dbraw/zinc/58/26/16/883582616.db2.gz	XVQNVWHFNMFGED-OTWHNJEPSA-N	1	0	360.502	1.959	20	30		FDEDRO
C#CC[C@@H](CO)NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1	ZINC000917587482	883586691	/nfs/dbraw/zinc/58/66/91/883586691.db2.gz	HIAYOQMFGKVQOF-INIZCTEOSA-N	1	0	351.491	1.484	20	30		FDEDRO
CCN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1	ZINC001033958752	883592713	/nfs/dbraw/zinc/59/27/13/883592713.db2.gz	ZFFBDAJCLFJCGJ-QYZOEREBSA-N	1	0	368.481	1.883	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](C#N)c2ccc(F)cc2)CC1=O	ZINC000497851166	883777269	/nfs/dbraw/zinc/77/72/69/883777269.db2.gz	FDRHTWAGZBOKFG-JQHSSLGASA-N	1	0	372.444	1.839	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](CCc2cccs2)C[C@@H]1O	ZINC001083998984	912760992	/nfs/dbraw/zinc/76/09/92/912760992.db2.gz	YUFNUNYOWRNPTR-MOPGFXCFSA-N	1	0	354.475	1.676	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cncc(F)c2)[C@@H](n2ccnn2)C1	ZINC001128877764	883913866	/nfs/dbraw/zinc/91/38/66/883913866.db2.gz	HJFRMTFLNZGQMR-XKQJLSEDSA-N	1	0	358.421	1.822	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnnc(C)c2)[C@@H](n2ccnn2)C1	ZINC001128930747	884152357	/nfs/dbraw/zinc/15/23/57/884152357.db2.gz	ZPHCETLNPMKXKI-UAGQMJEPSA-N	1	0	355.446	1.387	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@H+](CCc2cccs2)C[C@@H]1n1ccnn1	ZINC001128939376	884197920	/nfs/dbraw/zinc/19/79/20/884197920.db2.gz	NLEVNOBLJGJYHS-SJORKVTESA-N	1	0	357.483	1.727	20	30		FDEDRO
COc1ccc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1C#N	ZINC001034398260	884292808	/nfs/dbraw/zinc/29/28/08/884292808.db2.gz	GITKWSNRCKFFEE-BBWFWOEESA-N	1	0	370.453	1.159	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)c1	ZINC001034403882	884314786	/nfs/dbraw/zinc/31/47/86/884314786.db2.gz	DFBRHXYCWDMPFB-CEXWTWQISA-N	1	0	368.481	1.931	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@H]2C)c1	ZINC000994567319	884325517	/nfs/dbraw/zinc/32/55/17/884325517.db2.gz	GQLLIRQAQAZRAK-GPMSIDNRSA-N	1	0	368.481	1.372	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(c3nc(C#N)c(Cl)s3)C2)CC[N@@H+]1C	ZINC001061757328	884471508	/nfs/dbraw/zinc/47/15/08/884471508.db2.gz	JDUNUJRQRMCJLA-GRYCIOLGSA-N	1	0	367.906	1.951	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@@H]1n1ccnn1	ZINC001128976316	884544455	/nfs/dbraw/zinc/54/44/55/884544455.db2.gz	PEDHHQRJWMPJTC-MSOLQXFVSA-N	1	0	359.474	1.240	20	30		FDEDRO
CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)C#CC(C)C)[C@@H](n3ccnn3)C2)C1	ZINC001128976364	884547320	/nfs/dbraw/zinc/54/73/20/884547320.db2.gz	RPYAGXWXTKORAC-HIEASXQVSA-N	1	0	359.474	1.094	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]C[C@@H](C)OC)C2)nn1	ZINC001112542962	884592044	/nfs/dbraw/zinc/59/20/44/884592044.db2.gz	BREJEYGMAVOVLL-GJYPPUQNSA-N	1	0	361.490	1.721	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2n2ccnn2)cc1	ZINC001128985232	884723396	/nfs/dbraw/zinc/72/33/96/884723396.db2.gz	JZMMQZKPVNJFBV-MOPGFXCFSA-N	1	0	367.453	1.744	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@@H]1n1ccnn1	ZINC001128985880	884736652	/nfs/dbraw/zinc/73/66/52/884736652.db2.gz	WSOZLXXKNOSMDC-MOPGFXCFSA-N	1	0	371.485	1.240	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC/C=C\CC)C[C@@H]1n1ccnn1	ZINC001128993934	884902136	/nfs/dbraw/zinc/90/21/36/884902136.db2.gz	ZXRTZHGJVUNJKM-HRULKVOTSA-N	1	0	373.501	1.957	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nnc(C)n2CC)CC1	ZINC001034736658	884931269	/nfs/dbraw/zinc/93/12/69/884931269.db2.gz	IFLQQADZYKVNSH-VQHPVUNQSA-N	1	0	361.490	1.715	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](CC/C=C/CCC)C[C@@H]1n1ccnn1	ZINC001128999008	884938384	/nfs/dbraw/zinc/93/83/84/884938384.db2.gz	MJOWOSBWWBAMNI-IBQUMJASSA-N	1	0	359.474	1.406	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cn2ccc(C)n2)[C@@H](n2ccnn2)C1	ZINC001129009739	885051957	/nfs/dbraw/zinc/05/19/57/885051957.db2.gz	NTPXCOWBUFNEKW-UAGQMJEPSA-N	1	0	357.462	1.037	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1n1ccnn1	ZINC001129009814	885055358	/nfs/dbraw/zinc/05/53/58/885055358.db2.gz	QULZHYWOATZUFX-SJORKVTESA-N	1	0	371.489	1.198	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(C[NH2+]Cc2cnnn2CC)cc1	ZINC001034827555	885234653	/nfs/dbraw/zinc/23/46/53/885234653.db2.gz	BTLLQLWYHRXSBN-MOPGFXCFSA-N	1	0	369.469	1.795	20	30		FDEDRO
CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C[C@@H]1C	ZINC000498548538	885239792	/nfs/dbraw/zinc/23/97/92/885239792.db2.gz	AMPUODJSOGRYDQ-KBPBESRZSA-N	1	0	352.442	1.881	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC3CCC(F)(F)CC3)C[C@@H]2O)cn1	ZINC001083971054	912924542	/nfs/dbraw/zinc/92/45/42/912924542.db2.gz	VSZVRWCXFZHTIN-SJORKVTESA-N	1	0	363.408	1.663	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1CNCc1nnc(C)s1	ZINC001034941395	885394818	/nfs/dbraw/zinc/39/48/18/885394818.db2.gz	HWTCXEXYTSFOKO-KFWWJZLASA-N	1	0	350.488	1.908	20	30		FDEDRO
C#CCN(C(=O)NCC[S@](=O)Cc1ccccc1)C1CC[NH+](C)CC1	ZINC000919240450	885438082	/nfs/dbraw/zinc/43/80/82/885438082.db2.gz	UWMCYMJBORKGON-VWLOTQADSA-N	1	0	361.511	1.674	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cnn3c2CCC3)[C@@H](n2ccnn2)C1	ZINC001129043214	885517686	/nfs/dbraw/zinc/51/76/86/885517686.db2.gz	NEDVOZAUDRAUNB-WBVHZDCISA-N	1	0	355.446	1.042	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCC(=C)C)C[C@@H]2n2ccnn2)CCOCC1	ZINC001129043425	885518067	/nfs/dbraw/zinc/51/80/67/885518067.db2.gz	PJAZTQZQNNFYOE-MSOLQXFVSA-N	1	0	371.485	1.406	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CC2(c3ccccc3)CC2)[C@@H](n2ccnn2)C1	ZINC001129043554	885520697	/nfs/dbraw/zinc/52/06/97/885520697.db2.gz	TXUAXSVBMHUYLN-MOPGFXCFSA-N	1	0	363.465	1.765	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc(OCC)no2)[C@@H](n2ccnn2)C1	ZINC001129103350	885700840	/nfs/dbraw/zinc/70/08/40/885700840.db2.gz	KZOSYXXGHZNHNL-KGLIPLIRSA-N	1	0	360.418	1.286	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](n2ccnn2)C1	ZINC001129084451	885709684	/nfs/dbraw/zinc/70/96/84/885709684.db2.gz	KJCDBRXLOGBOQW-KGLIPLIRSA-N	1	0	354.886	1.102	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2CC)[C@@H](n2ccnn2)C1	ZINC001129084532	885709862	/nfs/dbraw/zinc/70/98/62/885709862.db2.gz	NDOKMXWWLYGYAO-MSOLQXFVSA-N	1	0	371.489	1.965	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCOCC(F)F)[C@H](C)C2)nc1	ZINC001106894259	885738716	/nfs/dbraw/zinc/73/87/16/885738716.db2.gz	HUDZVMUZDUNJLZ-UKRRQHHQSA-N	1	0	351.397	1.642	20	30		FDEDRO
C#CCC[N@H+]1CCC2(C1)CCN(C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)CC2	ZINC001035206560	885746525	/nfs/dbraw/zinc/74/65/25/885746525.db2.gz	JTFHAYNEWCIFOJ-SJORKVTESA-N	1	0	361.486	1.137	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC=CCC2)[C@@H](n2ccnn2)C1	ZINC001129147686	885875828	/nfs/dbraw/zinc/87/58/28/885875828.db2.gz	LJLWZVPGNCSHEO-KURKYZTESA-N	1	0	359.474	1.569	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@@H]1n1ccnn1	ZINC001129159438	885890294	/nfs/dbraw/zinc/89/02/94/885890294.db2.gz	ILDTUPCYFWHFFG-ZACQAIPSSA-N	1	0	361.490	1.649	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@@H]1n1ccnn1	ZINC001129159665	885892424	/nfs/dbraw/zinc/89/24/24/885892424.db2.gz	OXHUVTYIDKJLGO-ZACQAIPSSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)CC(C)(C)C1	ZINC001089515820	885910947	/nfs/dbraw/zinc/91/09/47/885910947.db2.gz	APSSAQKAKHBTTR-BQFCYCMXSA-N	1	0	365.518	1.663	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)NC3CC3)[C@H](C)C2)cn1	ZINC001106896254	886011054	/nfs/dbraw/zinc/01/10/54/886011054.db2.gz	CJTIJZAKJLJSJX-IIAWOOMASA-N	1	0	354.454	1.028	20	30		FDEDRO
CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000499115920	886411742	/nfs/dbraw/zinc/41/17/42/886411742.db2.gz	KXZCEFRJTVCDOM-HNNXBMFYSA-N	1	0	371.445	1.353	20	30		FDEDRO
C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1)CC2	ZINC001035814506	886500683	/nfs/dbraw/zinc/50/06/83/886500683.db2.gz	NMWOEDRFXBIXLA-PKOBYXMFSA-N	1	0	366.465	1.159	20	30		FDEDRO
CCc1ccc([C@H](O)C[N@@H+]2C[C@@H](NC(=O)C#CC3CC3)[C@H](OC)C2)cc1	ZINC001212246315	886529065	/nfs/dbraw/zinc/52/90/65/886529065.db2.gz	QKFITLLXFSSLIW-VAMGGRTRSA-N	1	0	356.466	1.511	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1)C1CC[NH+](C)CC1	ZINC000920029211	886538781	/nfs/dbraw/zinc/53/87/81/886538781.db2.gz	FLVMOHVZXHYAGM-GOEBONIOSA-N	1	0	355.504	1.081	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cccnc2OC)[C@@H](n2ccnn2)C1	ZINC001129219576	886600178	/nfs/dbraw/zinc/60/01/78/886600178.db2.gz	GAWFXLOPLWXYSP-UAGQMJEPSA-N	1	0	370.457	1.692	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](CNC(=O)CSCC#N)CC2)CC[N@@H+]1C	ZINC001060740633	886654734	/nfs/dbraw/zinc/65/47/34/886654734.db2.gz	NTJZWVNVLCCQDG-KLHDSHLOSA-N	1	0	366.531	1.375	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)CC1(CC#N)CC1)C2	ZINC000920273582	886796452	/nfs/dbraw/zinc/79/64/52/886796452.db2.gz	INYZPIMXVFMDCE-KCYZZUKISA-N	1	0	355.504	1.079	20	30		FDEDRO
CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)CC3(CC#N)CC3)C2)[C@H]1C(C)C	ZINC000920301431	886839667	/nfs/dbraw/zinc/83/96/67/886839667.db2.gz	CKYBVCGHFGSMPB-YFHUEUNASA-N	1	0	369.531	1.469	20	30		FDEDRO
N#CCOc1ccc(C[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)cc1	ZINC000920409846	886912062	/nfs/dbraw/zinc/91/20/62/886912062.db2.gz	OMFMYNSHQJCXMN-OAHLLOKOSA-N	1	0	356.378	1.847	20	30		FDEDRO
C=CCOCC(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001062070181	886944696	/nfs/dbraw/zinc/94/46/96/886944696.db2.gz	BAZZXCYHNYYCIN-IXDOHACOSA-N	1	0	351.491	1.417	20	30		FDEDRO
C[C@@H]1C[N@@H+](CC2CCN(C(=O)CNc3ccc(C#N)cn3)CC2)C[C@H](C)O1	ZINC000329032752	887167521	/nfs/dbraw/zinc/16/75/21/887167521.db2.gz	QEPIIUJBPYQISE-IYBDPMFKSA-N	1	0	371.485	1.713	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O	ZINC000922953437	887331074	/nfs/dbraw/zinc/33/10/74/887331074.db2.gz	BKAPHMIBNHSEDT-FUGSVPAZSA-N	1	0	351.491	1.356	20	30		FDEDRO
CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@@H](C)N(CC#N)[C@@H](C)C2)CC1	ZINC000921241719	887575903	/nfs/dbraw/zinc/57/59/03/887575903.db2.gz	GPLLQSHIVYUIHB-CALCHBBNSA-N	1	0	365.522	1.504	20	30		FDEDRO
C=CCn1cc(CNC(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)nn1	ZINC000922954939	887579400	/nfs/dbraw/zinc/57/94/00/887579400.db2.gz	KKLQFGMDLQDBGE-INIZCTEOSA-N	1	0	362.478	1.249	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1C[C@@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O	ZINC000922954756	887579601	/nfs/dbraw/zinc/57/96/01/887579601.db2.gz	IUVIXZNXIKPRCN-OIHMHFBDSA-N	1	0	365.518	1.747	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCCc2cccc(C)c2)C[C@H]1OC	ZINC001212257771	888072047	/nfs/dbraw/zinc/07/20/47/888072047.db2.gz	IJVWECMDTZNZTC-MISYRCLQSA-N	1	0	358.482	1.781	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CC2(Cl)Cl)C[C@H]1OC	ZINC001212262605	888168872	/nfs/dbraw/zinc/16/88/72/888168872.db2.gz	ULFXBFQWZVGUOH-MGPQQGTHSA-N	1	0	363.285	1.426	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)CNC(=O)N2CCCC2)[C@H](OC)C1	ZINC001212264182	888224425	/nfs/dbraw/zinc/22/44/25/888224425.db2.gz	CMQUIFQQDGSLEW-IAGOWNOFSA-N	1	0	368.522	1.578	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C2CC2)C[C@H]1OC	ZINC001212264694	888247404	/nfs/dbraw/zinc/24/74/04/888247404.db2.gz	OFQINBCSWAGKHZ-CWFSZBLJSA-N	1	0	356.466	1.918	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCc2ccc(OC)cc2)C[C@H]1OC	ZINC001212264984	888275315	/nfs/dbraw/zinc/27/53/15/888275315.db2.gz	WHNSSOHCHZOXTP-ATZDWAIDSA-N	1	0	360.454	1.091	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCC2N=NC(=S)N2C(C)C)CC1	ZINC000923213542	888416146	/nfs/dbraw/zinc/41/61/46/888416146.db2.gz	VZFZXTRBCOFLAJ-UHFFFAOYSA-N	1	0	350.492	1.087	20	30		FDEDRO
CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1	ZINC000462006668	888425046	/nfs/dbraw/zinc/42/50/46/888425046.db2.gz	XMBCKOHWUNKYJG-INIZCTEOSA-N	1	0	367.457	2.253	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000938387068	888546782	/nfs/dbraw/zinc/54/67/82/888546782.db2.gz	IOOHAKAXMNVSDJ-AYOQOUSVSA-N	1	0	353.466	1.268	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1OC	ZINC001212268095	888587138	/nfs/dbraw/zinc/58/71/38/888587138.db2.gz	QOVJXRLDZJIANC-QZTJIDSGSA-N	1	0	364.490	1.462	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2sccc2OC)C[C@H]1C	ZINC001106905985	888798779	/nfs/dbraw/zinc/79/87/79/888798779.db2.gz	QPARMYUFRWWAFL-CHWSQXEVSA-N	1	0	351.472	1.357	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCC[C@H]1Cc1cnn(C)c1)C1CC[NH+](C)CC1	ZINC000923301900	888822749	/nfs/dbraw/zinc/82/27/49/888822749.db2.gz	KXNWIURGTVOVEJ-PKOBYXMFSA-N	1	0	357.502	1.870	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC000938605633	888939048	/nfs/dbraw/zinc/93/90/48/888939048.db2.gz	AFBVTGYCJFWSKS-HYVNUMGLSA-N	1	0	354.454	1.076	20	30		FDEDRO
Cc1ccc2c(CCNC(=[NH2+])NCCCN3CCOCC3)cn(C)c2c1	ZINC000187144454	888940303	/nfs/dbraw/zinc/94/03/03/888940303.db2.gz	DBVXMWKJENRMNK-UHFFFAOYSA-N	1	0	357.502	1.656	20	30		FDEDRO
COc1ccccc1[C@@H]1C[NH2+]CCN1C[C@H](O)COc1ccc(C#N)cc1	ZINC000923349733	888953808	/nfs/dbraw/zinc/95/38/08/888953808.db2.gz	WCZRNDWKMBEOAR-PXNSSMCTSA-N	1	0	367.449	1.953	20	30		FDEDRO
COc1ccccc1[C@H]1C[NH2+]CCN1C[C@@H](O)COc1ccc(C#N)cc1	ZINC000923349737	888954003	/nfs/dbraw/zinc/95/40/03/888954003.db2.gz	WCZRNDWKMBEOAR-YLJYHZDGSA-N	1	0	367.449	1.953	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1	ZINC000999791692	913307822	/nfs/dbraw/zinc/30/78/22/913307822.db2.gz	MJWASZPOVWDOEL-ZGXWSNOMSA-N	1	0	369.465	1.690	20	30		FDEDRO
C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1	ZINC001089692671	889103604	/nfs/dbraw/zinc/10/36/04/889103604.db2.gz	AIIDARCCYWOBSW-ZACQAIPSSA-N	1	0	365.518	1.805	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cn([C@@H]3CCOC3)nc2C)[C@H](OC)C1	ZINC001212279243	889220427	/nfs/dbraw/zinc/22/04/27/889220427.db2.gz	HRJOLHIDZHKRCS-KBAYOESNSA-N	1	0	362.474	1.548	20	30		FDEDRO
COc1cccc(CN(CC[NH+](C)C)C(=O)CNc2ccc(C#N)cn2)c1	ZINC000482394064	889232145	/nfs/dbraw/zinc/23/21/45/889232145.db2.gz	IZLZTFZSPSYGQF-UHFFFAOYSA-N	1	0	367.453	1.964	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC)C1	ZINC001112543714	889473404	/nfs/dbraw/zinc/47/34/04/889473404.db2.gz	RFICDSHRXLXYKQ-DUPRYPCISA-N	1	0	363.502	1.322	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCCC1CCCCC1	ZINC001127604195	889487929	/nfs/dbraw/zinc/48/79/29/889487929.db2.gz	ARCPNBOWZJAZPK-MSOLQXFVSA-N	1	0	365.518	1.760	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H](NC(=O)C=CC(=O)Nc2ccc3n[nH]cc3c2)C1	ZINC000923564573	889854947	/nfs/dbraw/zinc/85/49/47/889854947.db2.gz	ACFQTXVHEPUUES-PTZVLDCSSA-N	1	0	351.410	1.271	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1CN(C(=O)C2CC[NH+](C)CC2)C1	ZINC001006168301	889951513	/nfs/dbraw/zinc/95/15/13/889951513.db2.gz	YYHUKXKSPUEUGH-JLSDUUJJSA-N	1	0	363.502	1.273	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CNC(=O)C2CCCC2)[C@H](OC)C1	ZINC001212311696	890039031	/nfs/dbraw/zinc/03/90/31/890039031.db2.gz	VHGMYSPPYCUHEG-DJIMGWMZSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cccc3c2OCC3)[C@@H](n2ccnn2)C1	ZINC001129288704	890074148	/nfs/dbraw/zinc/07/41/48/890074148.db2.gz	KHEMUGXKWLLFPW-MSOLQXFVSA-N	1	0	367.453	1.835	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1CN(CC(=O)N[C@H](C)CC)C[C@H]1OC	ZINC001212321279	890116560	/nfs/dbraw/zinc/11/65/60/890116560.db2.gz	ZUWHEQIEANPPMZ-DJIMGWMZSA-N	1	0	351.491	1.485	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(NC(=O)[C@@H]2CCCC[N@H+]2C)CCC1	ZINC001063217004	890314652	/nfs/dbraw/zinc/31/46/52/890314652.db2.gz	MHFWZVPKWOAQEQ-IKGGRYGDSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)NC1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCC1	ZINC001063227240	890350647	/nfs/dbraw/zinc/35/06/47/890350647.db2.gz	JDZBYGNDKMRMAT-YESZJQIVSA-N	1	0	365.518	1.853	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H](CCNc3ccc(C#N)nn3)C2)CC[N@@H+]1C	ZINC001063301733	890427561	/nfs/dbraw/zinc/42/75/61/890427561.db2.gz	BIZUMSCXWANHHW-BFYDXBDKSA-N	1	0	356.474	1.729	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC(CCNc3nccnc3C#N)CC2)CC[N@@H+]1C	ZINC001063341510	890476662	/nfs/dbraw/zinc/47/66/62/890476662.db2.gz	AEWWGLQWYWJTCG-GDBMZVCRSA-N	1	0	356.474	1.729	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)C[N@H+](C)C2CCC2)C1	ZINC001006178561	890480403	/nfs/dbraw/zinc/48/04/03/890480403.db2.gz	HCWANHTUUHWHAK-QGTPRVQTSA-N	1	0	363.502	1.415	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3CCC)C2)CC1	ZINC000939530106	890814469	/nfs/dbraw/zinc/81/44/69/890814469.db2.gz	KHYUMDRYIPEYOE-GUDVDZBRSA-N	1	0	359.514	1.827	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1CN([C@@H](C)C(=O)N2CCCCC2)C[C@H]1OC	ZINC001212344784	891013048	/nfs/dbraw/zinc/01/30/48/891013048.db2.gz	MCVHAVRNGKDGQV-GVDBMIGSSA-N	1	0	351.491	1.559	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](CC(=O)N2CCCCC2)CC1	ZINC001001843264	891421255	/nfs/dbraw/zinc/42/12/55/891421255.db2.gz	DTWWHICXFKQNNL-MSOLQXFVSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=CCN1CC[C@H]([NH+]2CCC(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1=O	ZINC001001867834	891523749	/nfs/dbraw/zinc/52/37/49/891523749.db2.gz	TZSBHDBVJOHOEP-BDXSIMOUSA-N	1	0	361.486	1.169	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C#N)c[nH]1)C2	ZINC001001889764	891568136	/nfs/dbraw/zinc/56/81/36/891568136.db2.gz	MMOPICXXVVOIFY-MMTVNHQJSA-N	1	0	355.442	1.232	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@]34C[C@@H]3CCCC4)C2)CC1	ZINC000939990864	891587100	/nfs/dbraw/zinc/58/71/00/891587100.db2.gz	IQTVMEYAIJLSRB-TXXUCJGISA-N	1	0	371.525	1.875	20	30		FDEDRO
C#CC[NH+]1CCC(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1	ZINC001001923907	891621169	/nfs/dbraw/zinc/62/11/69/891621169.db2.gz	JBAFVBSETSUDRL-PKOBYXMFSA-N	1	0	354.454	1.062	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C[C@H]2C)c1	ZINC000940011197	891628605	/nfs/dbraw/zinc/62/86/05/891628605.db2.gz	RXBIHYUNNDZSPO-FPDPHYFHSA-N	1	0	366.465	1.126	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CC[NH+]([C@H](C)C(=O)N(C)C)CC1	ZINC001001933250	891683334	/nfs/dbraw/zinc/68/33/34/891683334.db2.gz	GNTLQECMCIGTKJ-NJAFHUGGSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CC[NH+]([C@@H]2CCCNC2=O)CC1	ZINC001001932476	891683598	/nfs/dbraw/zinc/68/35/98/891683598.db2.gz	CAJDKDCHFUKWDZ-KSZLIROESA-N	1	0	363.502	1.465	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C#N)[nH]1)C2	ZINC001002086451	891908961	/nfs/dbraw/zinc/90/89/61/891908961.db2.gz	WFGPSFSFKYXKDO-WNOSKKOXSA-N	1	0	355.442	1.232	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1	ZINC001002199614	892216977	/nfs/dbraw/zinc/21/69/77/892216977.db2.gz	GDPHJHOYPQETED-BZSNNMDCSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C1	ZINC001002222398	892257108	/nfs/dbraw/zinc/25/71/08/892257108.db2.gz	BXQKRSQRZOUCAY-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)Cc2ccc3cccnc3c2)[C@H](OC)C1	ZINC001212448269	892675535	/nfs/dbraw/zinc/67/55/35/892675535.db2.gz	FSGWRPVDTLGUBQ-WOJBJXKFSA-N	1	0	369.465	1.795	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c(C)csc2Cl)C[C@H]1C	ZINC001106926455	892792067	/nfs/dbraw/zinc/79/20/67/892792067.db2.gz	YDFAJCRQPDNOGE-DGCLKSJQSA-N	1	0	367.902	1.757	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]CCn3cccn3)[C@H](C)C2)CCOCC1	ZINC001106927756	892982172	/nfs/dbraw/zinc/98/21/72/892982172.db2.gz	DZOGVMJDOCNXAL-QZTJIDSGSA-N	1	0	360.502	1.940	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC)[C@H](C)C2)CCOCC1	ZINC001106931731	893068478	/nfs/dbraw/zinc/06/84/78/893068478.db2.gz	BTYGUNUWGBSCSG-HZPDHXFCSA-N	1	0	351.491	1.180	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+][C@H]3CCCNC3=O)[C@H](C)C2)CCOCC1	ZINC001106931724	893069207	/nfs/dbraw/zinc/06/92/07/893069207.db2.gz	BLIRRAPVABHBQI-ZACQAIPSSA-N	1	0	363.502	1.322	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCOc3cc(OC)ccc32)CC1	ZINC000672355811	893175475	/nfs/dbraw/zinc/17/54/75/893175475.db2.gz	MIMKPKVPVROGQM-KRWDZBQOSA-N	1	0	373.453	1.402	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CCCc3c2cnn3C)CC1	ZINC000672356877	893186053	/nfs/dbraw/zinc/18/60/53/893186053.db2.gz	KGJDJAARINMOPO-KRWDZBQOSA-N	1	0	373.501	1.413	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2c2cn(C)nc2C)CC1	ZINC000672355009	893216812	/nfs/dbraw/zinc/21/68/12/893216812.db2.gz	HLRCCUBNDLIYCB-KRWDZBQOSA-N	1	0	359.474	1.159	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C(C)(C)C1	ZINC000940811379	893278130	/nfs/dbraw/zinc/27/81/30/893278130.db2.gz	IMJWPMIXQWKPER-KBAYOESNSA-N	1	0	358.486	1.831	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3ccccc32)C[C@H]1C	ZINC001106942754	893307640	/nfs/dbraw/zinc/30/76/40/893307640.db2.gz	VYMVYOXMLUZBGD-SJLPKXTDSA-N	1	0	363.461	1.887	20	30		FDEDRO
CC[C@H](C(=O)N[C@@H]1CN(Cc2cc(F)ccc2C#N)C[C@H]1OC)[NH+](C)C	ZINC001212460437	893828875	/nfs/dbraw/zinc/82/88/75/893828875.db2.gz	IIUWECXSDUQZPY-KZNAEPCWSA-N	1	0	362.449	1.353	20	30		FDEDRO
C=CCn1cccc1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2	ZINC001002803685	894001539	/nfs/dbraw/zinc/00/15/39/894001539.db2.gz	NVERPUKADDFYIB-VQHPVUNQSA-N	1	0	356.470	1.488	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)c2ccccc2)C[C@H]1C	ZINC001106950808	894017489	/nfs/dbraw/zinc/01/74/89/894017489.db2.gz	GLLWDVXDMZRHLU-YQVWRLOYSA-N	1	0	355.482	1.614	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1	ZINC000941221887	894365533	/nfs/dbraw/zinc/36/55/33/894365533.db2.gz	UOJCBCJYLTTZSD-KURKYZTESA-N	1	0	363.502	1.513	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[N@@H+](C[C@@H](O)Cc4ccccc4)C[C@H]32)c1	ZINC001084261617	913868169	/nfs/dbraw/zinc/86/81/69/913868169.db2.gz	PSJUZDVJJWWUTD-WSTZPKSXSA-N	1	0	364.449	1.636	20	30		FDEDRO
CCC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)c1ccccc1	ZINC001106955889	894831262	/nfs/dbraw/zinc/83/12/62/894831262.db2.gz	ODZBDWQGIZWFNK-BHIYHBOVSA-N	1	0	370.497	1.894	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106956174	894858693	/nfs/dbraw/zinc/85/86/93/894858693.db2.gz	UBRYCPMLXARPFX-SJLPKXTDSA-N	1	0	364.449	1.130	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cnnn3)cc2)C[C@H]1C	ZINC001106956979	894956915	/nfs/dbraw/zinc/95/69/15/894956915.db2.gz	JRURCTYRVIIUHM-NVXWUHKLSA-N	1	0	354.458	1.926	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3nccnc3c2)C[C@H]1C	ZINC001106959889	895454793	/nfs/dbraw/zinc/45/47/93/895454793.db2.gz	VCXGEXORBXWQMH-GDBMZVCRSA-N	1	0	367.453	1.230	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3C(C)(C)C)C2)CC1	ZINC000941837612	895840651	/nfs/dbraw/zinc/84/06/51/895840651.db2.gz	IFKRNKKOMOXMOK-KZNAEPCWSA-N	1	0	359.514	1.731	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC2(CCOCC2)C1	ZINC001089944258	896419960	/nfs/dbraw/zinc/41/99/60/896419960.db2.gz	ASHBHKMRKMDHKB-FGTMMUONSA-N	1	0	365.518	1.269	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2OCCO[C@H]2C)CC2(CCOCC2)C1	ZINC001089945079	896706765	/nfs/dbraw/zinc/70/67/65/896706765.db2.gz	KYXPMZHYEOYRAB-BZSNNMDCSA-N	1	0	366.502	1.744	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@]2(CC(C)C)CCNC2=O)[C@H](OC)C1	ZINC001212426260	896744044	/nfs/dbraw/zinc/74/40/44/896744044.db2.gz	UUGLOXRJJNVTFB-MDZRGWNJSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1	ZINC000671109786	896767356	/nfs/dbraw/zinc/76/73/56/896767356.db2.gz	XKXGGFLNIUGDFW-OALUTQOASA-N	1	0	355.482	1.987	20	30		FDEDRO
CO[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C	ZINC001212428306	896909624	/nfs/dbraw/zinc/90/96/24/896909624.db2.gz	WKTMVJDVTJKGFC-XUVXKRRUSA-N	1	0	370.497	1.748	20	30		FDEDRO
C=C(Cl)C[C@H]1NC(=O)N(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C1=O	ZINC000925346779	896951515	/nfs/dbraw/zinc/95/15/15/896951515.db2.gz	VYDXJPHPTFPTGJ-QNMSZWNNSA-N	1	0	368.865	1.133	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1	ZINC001000206374	897147281	/nfs/dbraw/zinc/14/72/81/897147281.db2.gz	PVHAPDJBJYQSOU-UPJWGTAASA-N	1	0	358.280	1.200	20	30		FDEDRO
C=CC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1	ZINC001128112255	897167439	/nfs/dbraw/zinc/16/74/39/897167439.db2.gz	IYRHIUVZGZKCMK-SGTQZHETSA-N	1	0	368.481	1.476	20	30		FDEDRO
CCN1C[C@@H](C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)CC1=O	ZINC001084385746	914148829	/nfs/dbraw/zinc/14/88/29/914148829.db2.gz	PDSRSVMCFWCYDF-CEXWTWQISA-N	1	0	366.465	1.459	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@]23C[C@H]2COC3)C1	ZINC000995264390	897604087	/nfs/dbraw/zinc/60/40/87/897604087.db2.gz	FFXKAUZERBFUTQ-ZJOUEHCJSA-N	1	0	353.466	1.792	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC000995270783	897699928	/nfs/dbraw/zinc/69/99/28/897699928.db2.gz	DXBYUGIUVQPCMI-OTWHNJEPSA-N	1	0	370.497	1.820	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(C)n(C(C)(C)C)n2)C[C@H]1C	ZINC001106989803	897793067	/nfs/dbraw/zinc/79/30/67/897793067.db2.gz	WEJHSKBFIFKSHV-NVXWUHKLSA-N	1	0	360.502	1.894	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](C[C@@H](O)C2CCCCC2)C1	ZINC001032048047	897857607	/nfs/dbraw/zinc/85/76/07/897857607.db2.gz	SBNYWYLSFZXROC-OTWHNJEPSA-N	1	0	350.503	1.957	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](C[C@H](OC)C2CCCC2)C[C@H]1O	ZINC001078082402	897909171	/nfs/dbraw/zinc/90/91/71/897909171.db2.gz	KWRORQIRFMYCSA-NJYVYQBISA-N	1	0	370.493	1.577	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H](NCc2cn(CC)nn2)C1	ZINC001000416977	897916181	/nfs/dbraw/zinc/91/61/81/897916181.db2.gz	SWFHMPGMZZUTFG-SZMVWBNQSA-N	1	0	361.490	1.750	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccnc(-n3ccnc3)c2)C[C@H]1C	ZINC001106994221	898253126	/nfs/dbraw/zinc/25/31/26/898253126.db2.gz	HAGBVBADOQIDBH-SJLPKXTDSA-N	1	0	367.453	1.215	20	30		FDEDRO
CC1(C)[C@H](NC(=[NH2+])NCCCN2CCOCC2)C[C@@H]1OCc1ccccc1	ZINC000184651235	898344955	/nfs/dbraw/zinc/34/49/55/898344955.db2.gz	GEDQDOLKKAGZFN-MOPGFXCFSA-N	1	0	374.529	1.997	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2N(C(=O)C2CC2)CC3)CC1	ZINC000995324194	898422982	/nfs/dbraw/zinc/42/29/82/898422982.db2.gz	NNOLXPVBPUZGGU-WIYYLYMNSA-N	1	0	357.498	1.629	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1O	ZINC001078228666	898438865	/nfs/dbraw/zinc/43/88/65/898438865.db2.gz	ZKMNFPSLQFUAPK-GUDVDZBRSA-N	1	0	356.470	1.094	20	30		FDEDRO
N#Cc1cccc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3COc4ccccc43)C2)c1	ZINC001078273578	898570564	/nfs/dbraw/zinc/57/05/64/898570564.db2.gz	XNKFVHWHIOYTMJ-IPMKNSEASA-N	1	0	363.417	1.396	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1	ZINC001078262618	898598364	/nfs/dbraw/zinc/59/83/64/898598364.db2.gz	SVOCMSYNUDVWAP-HUUCEWRRSA-N	1	0	355.866	1.649	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cncn2C)C1	ZINC001078402099	898732546	/nfs/dbraw/zinc/73/25/46/898732546.db2.gz	FKYVTVQAWSVHLC-KSZLIROESA-N	1	0	362.474	1.108	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cccnc2)C1	ZINC001078402697	898735041	/nfs/dbraw/zinc/73/50/41/898735041.db2.gz	VQSXFTJTKQFPMP-OTWHNJEPSA-N	1	0	359.470	1.770	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCOCc2ccccc2)C[C@H]1C	ZINC001106999273	898766489	/nfs/dbraw/zinc/76/64/89/898766489.db2.gz	MXVKRIWNMGFXNV-IEBWSBKVSA-N	1	0	371.481	1.027	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cc(C)ns2)C1	ZINC001078473584	898805924	/nfs/dbraw/zinc/80/59/24/898805924.db2.gz	DXOLJAZPUZCECQ-OIISXLGYSA-N	1	0	365.499	1.750	20	30		FDEDRO
CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C	ZINC001107017031	899553785	/nfs/dbraw/zinc/55/37/85/899553785.db2.gz	LYHAHVCDMYTNDG-IEBWSBKVSA-N	1	0	355.482	1.639	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](F)Cc2ccccc2)C[C@H]1C	ZINC001107020956	899599074	/nfs/dbraw/zinc/59/90/74/899599074.db2.gz	WPMJUCWWQBZFMM-NXHRZFHOSA-N	1	0	359.445	1.001	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]nc3ccccc32)C[C@H]1C	ZINC001107028282	899636307	/nfs/dbraw/zinc/63/63/07/899636307.db2.gz	XMICYKPHOOYWFL-HUUCEWRRSA-N	1	0	369.469	1.092	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2CNC(=O)[C@]23C[C@H]2CCC3)CC1	ZINC000944072189	899818438	/nfs/dbraw/zinc/81/84/38/899818438.db2.gz	FHILSHRNKLNSGT-DBXWQHBBSA-N	1	0	357.498	1.629	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@@H](CC)OC)[C@H](C)C1	ZINC001107036495	899997539	/nfs/dbraw/zinc/99/75/39/899997539.db2.gz	MLGBBHUWFREZRM-BZUAXINKSA-N	1	0	368.522	1.359	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(C3CC3)c2)C[C@H]1C	ZINC001107047748	900124566	/nfs/dbraw/zinc/12/45/66/900124566.db2.gz	ACRMBIJPRBBBSP-DNVCBOLYSA-N	1	0	353.466	1.611	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](OC)C1	ZINC000944396521	900214546	/nfs/dbraw/zinc/21/45/46/900214546.db2.gz	UUCGZVYDJCUBHT-QINHECLXSA-N	1	0	365.518	1.805	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2nccs2)[C@H](C)C1	ZINC001107059025	900308611	/nfs/dbraw/zinc/30/86/11/900308611.db2.gz	NKXPIEKOXPBDBZ-ZIAGYGMSSA-N	1	0	366.487	1.358	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCCC2)[C@H](C)C1	ZINC001107062425	900370478	/nfs/dbraw/zinc/37/04/78/900370478.db2.gz	KTUQQPKUJOXWCW-BRWVUGGUSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc3c(c2)nnn3C)[C@H](C)C1	ZINC001107062706	900377184	/nfs/dbraw/zinc/37/71/84/900377184.db2.gz	QCWNBZANHZAZJZ-HLLBOEOZSA-N	1	0	371.485	1.744	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2csnc2OC)[C@H](C)C1	ZINC001107063604	900449418	/nfs/dbraw/zinc/44/94/18/900449418.db2.gz	UYEMNKAPBOORDQ-MGPQQGTHSA-N	1	0	353.488	1.927	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCNC(=O)CC2)[C@H](C)C1	ZINC001107063682	900449619	/nfs/dbraw/zinc/44/96/19/900449619.db2.gz	XJIAFIWCWHUDNR-BRWVUGGUSA-N	1	0	351.491	1.180	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+][C@H](C)c2nnnn2C2CC2)[C@H](C)C1	ZINC001107063725	900450676	/nfs/dbraw/zinc/45/06/76/900450676.db2.gz	YMVIKDUZJGPXAT-RBSFLKMASA-N	1	0	362.478	1.346	20	30		FDEDRO
CC(C)OC[C@@H](CO)[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N	ZINC000763876608	900452235	/nfs/dbraw/zinc/45/22/35/900452235.db2.gz	VMVIHCUMUPCDCP-HZPDHXFCSA-N	1	0	368.437	1.941	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CCOC[C@@H]2CCCO2)[C@H](C)C1	ZINC001107065208	900455038	/nfs/dbraw/zinc/45/50/38/900455038.db2.gz	JSJFRRVVBNCDDX-KURKYZTESA-N	1	0	354.491	1.459	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2CCCC)[C@H](C)C1	ZINC001107065504	900455065	/nfs/dbraw/zinc/45/50/65/900455065.db2.gz	PYFYHIVEKVPXMK-BZUAXINKSA-N	1	0	364.494	1.248	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CCOCC(F)(F)F)[C@H](C)C1	ZINC001107065500	900455093	/nfs/dbraw/zinc/45/50/93/900455093.db2.gz	PXKAOUXWZHWQGV-HZSPNIEDSA-N	1	0	352.397	1.841	20	30		FDEDRO
C[C@H](NC(=[NH+]CC(=O)N(C)C)N1CC[C@]2(CCOC2)C1)c1ccccc1	ZINC000185534382	900516299	/nfs/dbraw/zinc/51/62/99/900516299.db2.gz	ICWZXVAUWPKGPE-JXFKEZNVSA-N	1	0	358.486	1.894	20	30		FDEDRO
CN(CC1CC1)C(=O)CO[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1	ZINC000072921412	900562722	/nfs/dbraw/zinc/56/27/22/900562722.db2.gz	ABRBKBAEKPWNBW-UHFFFAOYSA-N	1	0	360.458	1.153	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCCNC4=O)[C@@H]3C2)cc1	ZINC001084427519	914459160	/nfs/dbraw/zinc/45/91/60/914459160.db2.gz	LBJMLSQSXAQFQE-KZNAEPCWSA-N	1	0	352.438	1.117	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2coc3ccccc32)C[C@H]1C	ZINC001107082691	900618596	/nfs/dbraw/zinc/61/85/96/900618596.db2.gz	OVQUPJINJQZOIE-BZUAXINKSA-N	1	0	367.449	1.868	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)NCC(=O)Nc1ccc(Br)cc1C	ZINC000763929663	900743575	/nfs/dbraw/zinc/74/35/75/900743575.db2.gz	JYMXNYVCABRYAP-UHFFFAOYSA-N	1	0	354.248	1.930	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000763930053	900805569	/nfs/dbraw/zinc/80/55/69/900805569.db2.gz	WVIXECBFCKZDPF-UHFFFAOYSA-N	1	0	371.890	1.291	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)NC(=O)C2CCC2)C[C@H]1C	ZINC001107094930	900835262	/nfs/dbraw/zinc/83/52/62/900835262.db2.gz	UWLACQBGBPEGPW-BFYDXBDKSA-N	1	0	351.491	1.178	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)C2([NH+](C)C)CCC2)C1	ZINC001006184321	900992798	/nfs/dbraw/zinc/99/27/98/900992798.db2.gz	KAQGRYFDMNRTAS-UAGQMJEPSA-N	1	0	363.502	1.415	20	30		FDEDRO
N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C23CC[NH+](CC2)C3)CC1	ZINC000900112688	901113584	/nfs/dbraw/zinc/11/35/84/901113584.db2.gz	CYCYTNGXHKAEBQ-UHFFFAOYSA-N	1	0	367.409	1.551	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCC1	ZINC001064152934	901247970	/nfs/dbraw/zinc/24/79/70/901247970.db2.gz	TYKFLABMWWSFLC-NXOAAHMSSA-N	1	0	363.502	1.463	20	30		FDEDRO
Cc1cc(C#N)nc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1	ZINC001064491488	901334554	/nfs/dbraw/zinc/33/45/54/901334554.db2.gz	IHJAGEXQWZUPHP-NRSFXHEJSA-N	1	0	368.485	1.567	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC2(CNC(=O)[C@H]3CC[C@@H](C)O3)CCC2)CC1	ZINC001064645367	901471622	/nfs/dbraw/zinc/47/16/22/901471622.db2.gz	ZNSYKABJQPZCOL-NVXWUHKLSA-N	1	0	361.486	1.054	20	30		FDEDRO
N#Cc1cncc(N2C[C@@H]3CCN(C(=O)CCCn4ccnc4)[C@@H]3C2)n1	ZINC001090319555	901667678	/nfs/dbraw/zinc/66/76/78/901667678.db2.gz	NPHDYIUFNXYTOV-GOEBONIOSA-N	1	0	351.414	1.062	20	30		FDEDRO
C[N@H+](CC(=O)N1CC[C@H]2CN(c3nccnc3C#N)C[C@H]21)CC(C)(C)C	ZINC001090355364	901826179	/nfs/dbraw/zinc/82/61/79/901826179.db2.gz	JXQVXQWTEUERIO-GOEBONIOSA-N	1	0	356.474	1.363	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2nccnc2C#N)CC[N@@H+]1C	ZINC001065170995	901883761	/nfs/dbraw/zinc/88/37/61/901883761.db2.gz	MLYHNIXPPNYBKA-LVQVYYBASA-N	1	0	354.458	1.258	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C2=CCOCC2)C1	ZINC001079132611	901947169	/nfs/dbraw/zinc/94/71/69/901947169.db2.gz	WZHZCIFYMJOULH-WOJBJXKFSA-N	1	0	356.466	1.983	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2[nH]cnc2C)C1	ZINC001079147227	901971545	/nfs/dbraw/zinc/97/15/45/901971545.db2.gz	DJPFJRHXCAUXFP-QZTJIDSGSA-N	1	0	354.454	1.982	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccn(C)n2)CC[C@H]1c1ccc(F)cc1	ZINC001079151205	901984373	/nfs/dbraw/zinc/98/43/73/901984373.db2.gz	GCWBFJDSWXCQJS-RBUKOAKNSA-N	1	0	354.429	1.709	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CCO)C[C@H]1O	ZINC001079135828	902002719	/nfs/dbraw/zinc/00/27/19/902002719.db2.gz	PJIMIXTWDSZDHJ-WTGUMLROSA-N	1	0	374.481	1.034	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC(=O)NC2)C1	ZINC001079137886	902013522	/nfs/dbraw/zinc/01/35/22/902013522.db2.gz	ALCPXLPBLHZLRG-IPMKNSEASA-N	1	0	371.481	1.163	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2n[nH]nc2C)C1	ZINC001079140727	902029709	/nfs/dbraw/zinc/02/97/09/902029709.db2.gz	ZDVCFAGLOMWTLL-IAGOWNOFSA-N	1	0	355.442	1.377	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC(=O)N2C)C1	ZINC001079141388	902032325	/nfs/dbraw/zinc/03/23/25/902032325.db2.gz	CFZHWLJNQNKYBW-GUDVDZBRSA-N	1	0	371.481	1.257	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)CC[C@H]1c1ccc(F)cc1	ZINC001079160399	902083987	/nfs/dbraw/zinc/08/39/87/902083987.db2.gz	ROHZQEHWRBLRFD-FGTMMUONSA-N	1	0	357.429	1.402	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C(C)=O)CC[C@H]1c1ccc(F)cc1	ZINC001079162255	902088269	/nfs/dbraw/zinc/08/82/69/902088269.db2.gz	CASLMXGNYGKTRI-XUVXKRRUSA-N	1	0	371.456	1.744	20	30		FDEDRO
C=CC[NH+]1CCC(N2C(=O)N[C@H]3CN(C(=O)[C@@H]4C[C@H]4CC)CC[C@@H]32)CC1	ZINC001079165449	902094559	/nfs/dbraw/zinc/09/45/59/902094559.db2.gz	TZYRIGDNQYDOFV-BGTYHANMSA-N	1	0	360.502	1.678	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(CC=C)nn2)C[C@H]1c1cccc(F)c1	ZINC001079201935	902101949	/nfs/dbraw/zinc/10/19/49/902101949.db2.gz	KDFCFDBSEYHOAX-DLBZAZTESA-N	1	0	353.401	1.434	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]C[C@H](C)O)C2)nc1	ZINC001079206989	902113009	/nfs/dbraw/zinc/11/30/09/902113009.db2.gz	HZTUEXSDFNJMEO-ADLFWFRXSA-N	1	0	367.424	1.781	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N2CCCC2=O)C[C@H]1c1cccc(F)c1	ZINC001079210110	902118808	/nfs/dbraw/zinc/11/88/08/902118808.db2.gz	ZAPKBYNXHBWRNU-OTWHNJEPSA-N	1	0	371.456	1.744	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(C3CCC3)nn2)C[C@H]1c1cccc(F)c1	ZINC001079183455	902125940	/nfs/dbraw/zinc/12/59/40/902125940.db2.gz	DHUPUHUEVPMCJA-ZWKOTPCHSA-N	1	0	367.428	1.973	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccn3nnnc23)C[C@H]1c1cccc(F)c1	ZINC001079186572	902131881	/nfs/dbraw/zinc/13/18/81/902131881.db2.gz	RPBWLCPSQFWLPS-DLBZAZTESA-N	1	0	364.384	1.094	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccnc3ccnn32)C[C@H]1c1cccc(F)c1	ZINC001079186554	902131949	/nfs/dbraw/zinc/13/19/49/902131949.db2.gz	QWBSSRGHKXUWER-DLBZAZTESA-N	1	0	363.396	1.699	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2nc(CC)c[nH]2)C[C@H]1c1cccc(F)c1	ZINC001079187479	902133642	/nfs/dbraw/zinc/13/36/42/902133642.db2.gz	IWSNXZRAMNCGLC-ZWKOTPCHSA-N	1	0	354.429	1.871	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccnn2CCOC)C[C@H]1c1cccc(F)c1	ZINC001079188576	902137394	/nfs/dbraw/zinc/13/73/94/902137394.db2.gz	GRHFTNPJWQFYFN-ZWKOTPCHSA-N	1	0	370.428	1.500	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)C[C@H]1c1cccc(F)c1	ZINC001079189012	902140123	/nfs/dbraw/zinc/14/01/23/902140123.db2.gz	BZLIIIPIVSIJNB-BPQIPLTHSA-N	1	0	359.445	1.764	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ncnc3[nH]ccc32)C[C@H]1c1cccc(F)c1	ZINC001079190377	902144791	/nfs/dbraw/zinc/14/47/91/902144791.db2.gz	PQARSLQPCAYVGX-DLBZAZTESA-N	1	0	363.396	1.880	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(=O)c(OC)co2)C[C@H]1c1cccc(F)c1	ZINC001079191232	902145869	/nfs/dbraw/zinc/14/58/69/902145869.db2.gz	DDNQHXQLYUMVLX-JKSUJKDBSA-N	1	0	370.380	1.619	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3ncccc3O)[C@@H]3COC[C@@H]32)CC1	ZINC001079238071	902180388	/nfs/dbraw/zinc/18/03/88/902180388.db2.gz	GHIGKOJZIPIPKV-JKSUJKDBSA-N	1	0	355.438	1.364	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3nccn3CC)[C@@H]3COC[C@@H]32)CC1	ZINC001079239492	902186892	/nfs/dbraw/zinc/18/68/92/902186892.db2.gz	WWHJANXBTCPIAC-DLBZAZTESA-N	1	0	356.470	1.479	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3nccc(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079239500	902187087	/nfs/dbraw/zinc/18/70/87/902187087.db2.gz	XEMRSADRYIPYIS-DLBZAZTESA-N	1	0	354.454	1.361	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3cnc(C)cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079220992	902220815	/nfs/dbraw/zinc/22/08/15/902220815.db2.gz	GTDYCMNDKIQGMU-FUHWJXTLSA-N	1	0	356.470	1.914	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)Cn3cc(C)cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079227372	902239437	/nfs/dbraw/zinc/23/94/37/902239437.db2.gz	PTQNQOVGIGWNNN-ZWKOTPCHSA-N	1	0	356.470	1.154	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)Cc3cnc(C)o3)[C@@H]3COC[C@@H]32)CC1	ZINC001079245995	902257143	/nfs/dbraw/zinc/25/71/43/902257143.db2.gz	NXJSULMXHYORBV-ZWKOTPCHSA-N	1	0	357.454	1.488	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)Cc3nc(CC)c[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079246154	902257191	/nfs/dbraw/zinc/25/71/91/902257191.db2.gz	SLVKCOKUUKIWCW-DLBZAZTESA-N	1	0	356.470	1.087	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cccc4ncnn43)[C@@H]3COC[C@@H]32)CC1	ZINC001079250241	902268115	/nfs/dbraw/zinc/26/81/15/902268115.db2.gz	UWXVWIJXGLVCFX-DOTOQJQBSA-N	1	0	367.453	1.468	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)CCc3ccccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079253752	902276810	/nfs/dbraw/zinc/27/68/10/902276810.db2.gz	FCQASSATQZYXRM-VQTJNVASSA-N	1	0	367.493	1.977	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)Cc3cncc(C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079253802	902277049	/nfs/dbraw/zinc/27/70/49/902277049.db2.gz	FZUYPKRXTXLAIC-VQTJNVASSA-N	1	0	367.493	1.895	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC3(CC[NH+](CCOC)CC3)[C@H]3COC[C@H]32)cc1	ZINC001079254840	902283124	/nfs/dbraw/zinc/28/31/24/902283124.db2.gz	YTBYJZCOBROMOH-VQTJNVASSA-N	1	0	368.477	1.867	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)[C@]3(F)CCOC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079256898	902286221	/nfs/dbraw/zinc/28/62/21/902286221.db2.gz	LMDXZTCBTCXMTH-FCEWJHQRSA-N	1	0	352.450	1.631	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cc(C)nc(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079265673	902313769	/nfs/dbraw/zinc/31/37/69/902313769.db2.gz	VPHYWMFPVNVKNK-FUHWJXTLSA-N	1	0	356.470	1.832	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cn(C(C)C)nn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079268236	902321451	/nfs/dbraw/zinc/32/14/51/902321451.db2.gz	UTMTWJZMHSDXMG-DOTOQJQBSA-N	1	0	357.458	1.045	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3coc(COC)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269087	902322536	/nfs/dbraw/zinc/32/25/36/902322536.db2.gz	FLNXLMGLESDWNG-GOEBONIOSA-N	1	0	359.426	1.007	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3c[nH]c(C)cc3=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079269371	902326262	/nfs/dbraw/zinc/32/62/62/902326262.db2.gz	UXQUCCBXPFSDMZ-ZWKOTPCHSA-N	1	0	371.481	1.812	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3Cc4cccnc4C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079271705	902333376	/nfs/dbraw/zinc/33/33/76/902333376.db2.gz	ZYKCTXJMODSCDN-WSTZPKSXSA-N	1	0	367.493	1.922	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3ccc(=O)[nH]c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079272415	902336152	/nfs/dbraw/zinc/33/61/52/902336152.db2.gz	MTCNDQWCMLYKBB-DLBZAZTESA-N	1	0	357.454	1.916	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CN(C(=O)c3nonc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079275992	902358714	/nfs/dbraw/zinc/35/87/14/902358714.db2.gz	XBQIVIIHKMTCNT-JKSUJKDBSA-N	1	0	360.458	1.897	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1c1ccccc1F	ZINC001079296501	902400105	/nfs/dbraw/zinc/40/01/05/902400105.db2.gz	DABKACOVTMMJPM-QILLFSRXSA-N	1	0	359.445	1.764	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)C[C@H]1c1ccccc1F	ZINC001079307593	902440763	/nfs/dbraw/zinc/44/07/63/902440763.db2.gz	SWKRSWRESJFXHF-XAUMDUMWSA-N	1	0	357.429	1.259	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1c1ccccc1F	ZINC001079308767	902443538	/nfs/dbraw/zinc/44/35/38/902443538.db2.gz	VAOBIGZEBLKKRF-VPWXQRGCSA-N	1	0	359.445	1.955	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]CCO)C2)c1	ZINC001079309919	902444300	/nfs/dbraw/zinc/44/43/00/902444300.db2.gz	XXVPLFMKHPGRSC-PKOBYXMFSA-N	1	0	353.397	1.392	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN2C[C@@H](C)[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)c1	ZINC001079494456	902710881	/nfs/dbraw/zinc/71/08/81/902710881.db2.gz	DNJHLXQNHULSLN-ATZDWAIDSA-N	1	0	368.481	1.137	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC001079589042	902844150	/nfs/dbraw/zinc/84/41/50/902844150.db2.gz	RLWDKEXLIPVLIL-LSBZLQRGSA-N	1	0	352.438	1.540	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC001079588427	902844356	/nfs/dbraw/zinc/84/43/56/902844356.db2.gz	GJRDXADLWYCQOJ-SJKOYZFVSA-N	1	0	351.410	1.236	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(C#N)c[nH]2)C3)C1	ZINC000996000858	902873972	/nfs/dbraw/zinc/87/39/72/902873972.db2.gz	FVRHKJNEAAFUSI-GUSZCTEKSA-N	1	0	355.442	1.090	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC4(C3)CS(=O)(=O)C4)[C@@H]2C1	ZINC001084450565	914680164	/nfs/dbraw/zinc/68/01/64/914680164.db2.gz	NYZYUFRVLJWDBJ-GDBMZVCRSA-N	1	0	352.500	1.310	20	30		FDEDRO
COc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)ncn1	ZINC001079709232	903116964	/nfs/dbraw/zinc/11/69/64/903116964.db2.gz	UOPHHBIDYLREPR-CXAGYDPISA-N	1	0	351.410	1.607	20	30		FDEDRO
C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C)N1C(=O)CCC1=O	ZINC001079803528	903379756	/nfs/dbraw/zinc/37/97/56/903379756.db2.gz	ZNSMUBQZIOTITJ-JKIFEVAISA-N	1	0	368.437	1.032	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1C	ZINC001079855840	903522019	/nfs/dbraw/zinc/52/20/19/903522019.db2.gz	UQPCLMYSMJSGJB-OWCLPIDISA-N	1	0	354.458	1.503	20	30		FDEDRO
Cc1nn(C)cc1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C	ZINC001079863017	903563980	/nfs/dbraw/zinc/56/39/80/903563980.db2.gz	TWVREOJOXAMGNP-AUUYWEPGSA-N	1	0	351.454	1.779	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(COC)cc2)C[C@H]1C	ZINC001079878096	903599559	/nfs/dbraw/zinc/59/95/59/903599559.db2.gz	GAJXCVXZRZVJIS-UIFIKXQLSA-N	1	0	369.509	1.867	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(CC)C1CN(C(=O)C[N@@H+](C)CCC)C1	ZINC001079849823	903621523	/nfs/dbraw/zinc/62/15/23/903621523.db2.gz	ALVSFYRJDYZLGS-HKUYNNGSSA-N	1	0	365.518	1.759	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[C@H]1CCN(C)C1=O	ZINC001079915947	903671979	/nfs/dbraw/zinc/67/19/79/903671979.db2.gz	UADOMMIUHNBBDE-ZTFGCOKTSA-N	1	0	354.454	1.363	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000764155890	903788785	/nfs/dbraw/zinc/78/87/85/903788785.db2.gz	MAAZNRLEXQPULW-UHFFFAOYSA-N	1	0	352.442	1.493	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1C	ZINC001079977712	903875933	/nfs/dbraw/zinc/87/59/33/903875933.db2.gz	GJKQTRDYGHJENP-NXHRZFHOSA-N	1	0	371.481	1.922	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1ccc(=O)n(C)c1	ZINC001080030977	903924775	/nfs/dbraw/zinc/92/47/75/903924775.db2.gz	ZDTKHJPKUBWTJE-RDTXWAMCSA-N	1	0	350.422	1.507	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C=C(C)C)CCC[C@@H]12	ZINC001107273290	904290305	/nfs/dbraw/zinc/29/03/05/904290305.db2.gz	HVRNZHDRWBDZPK-DNVCBOLYSA-N	1	0	362.474	1.325	20	30		FDEDRO
CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CSCC#N)CCC[C@@H]12	ZINC001107289853	904310761	/nfs/dbraw/zinc/31/07/61/904310761.db2.gz	UMMMREKTBLBCEA-IIDMSEBBSA-N	1	0	366.531	1.519	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(C(N)=O)cc2)CC1	ZINC000996599774	904312199	/nfs/dbraw/zinc/31/21/99/904312199.db2.gz	AZHAKOWYVQKRLC-MOPGFXCFSA-N	1	0	371.481	1.847	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cncc(OC)n2)CC1	ZINC000996600275	904313490	/nfs/dbraw/zinc/31/34/90/904313490.db2.gz	HADIITRAXOKBJR-SJORKVTESA-N	1	0	360.458	1.547	20	30		FDEDRO
Cc1nccnc1C[N@@H+]1CC[C@@]2(CNC(=O)CSCC#N)CCC[C@@H]12	ZINC001107291018	904365018	/nfs/dbraw/zinc/36/50/18/904365018.db2.gz	FTTHSBHEKNURDK-SJLPKXTDSA-N	1	0	359.499	1.903	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC1CCCC1)CC2	ZINC001107330708	904461031	/nfs/dbraw/zinc/46/10/31/904461031.db2.gz	KKIFRZBJMOPBTF-YLJYHZDGSA-N	1	0	363.502	1.609	20	30		FDEDRO
CCC(=O)NCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccc(C#N)c1)CC2	ZINC001107331144	904467889	/nfs/dbraw/zinc/46/78/89/904467889.db2.gz	DJXBOISVSNLUKD-WIYYLYMNSA-N	1	0	368.481	1.945	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCCO[C@@H]1CCOC1)CC2	ZINC001107329474	904494782	/nfs/dbraw/zinc/49/47/82/904494782.db2.gz	WAJFXTSADVMJOR-QWFCFKBJSA-N	1	0	366.502	1.745	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cn(C)nc3C)CCC[C@@H]12	ZINC001107341639	904525042	/nfs/dbraw/zinc/52/50/42/904525042.db2.gz	PDMVXRZFJUSMCL-VQIMIIECSA-N	1	0	359.474	1.005	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3cccnc3)CCC[C@@H]12	ZINC001107365640	904568796	/nfs/dbraw/zinc/56/87/96/904568796.db2.gz	ZEBKXTSWPOGCLI-YLJYHZDGSA-N	1	0	356.470	1.287	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cncc(F)c3)CCC[C@@H]12	ZINC001107356900	904581585	/nfs/dbraw/zinc/58/15/85/904581585.db2.gz	PYXNKWXGTGFRJX-VQIMIIECSA-N	1	0	360.433	1.497	20	30		FDEDRO
CNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccc1C#N)CC2	ZINC001107378752	904622772	/nfs/dbraw/zinc/62/27/72/904622772.db2.gz	KPYZJAHNRXHCKX-YLJYHZDGSA-N	1	0	354.454	1.555	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@]3(CNC(=O)Cc4ccoc4)CCC[C@@H]23)C1=O	ZINC001107380209	904646816	/nfs/dbraw/zinc/64/68/16/904646816.db2.gz	OITPDQZCUGXCRB-WAOWUJCRSA-N	1	0	371.481	1.970	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)/C=C/c3ccc[nH]3)CCC[C@@H]12	ZINC001107381884	904651896	/nfs/dbraw/zinc/65/18/96/904651896.db2.gz	UZVGPXXINRCYCB-JCTQASJRSA-N	1	0	354.454	1.138	20	30		FDEDRO
O=C(C#CC1CC1)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC1CCCC1)CC2	ZINC001107398435	904725224	/nfs/dbraw/zinc/72/52/24/904725224.db2.gz	VEYLFXRGMHQEHL-WIYYLYMNSA-N	1	0	357.498	1.819	20	30		FDEDRO
C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cn(C)nc1C)CC2	ZINC001107401937	904737225	/nfs/dbraw/zinc/73/72/25/904737225.db2.gz	GWDQCMXZJWBGLF-YVWKXTFCSA-N	1	0	358.486	1.628	20	30		FDEDRO
CO[C@@H]1C[N@H+](Cc2cccc(N(C)C)c2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC001081552292	904756113	/nfs/dbraw/zinc/75/61/13/904756113.db2.gz	BWJQQLKGVUDMFQ-RTBURBONSA-N	1	0	367.453	1.582	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[C@H]1CCCC(=O)N1	ZINC001080092282	904757800	/nfs/dbraw/zinc/75/78/00/904757800.db2.gz	LVLVDTFUZWMOFM-ZTFGCOKTSA-N	1	0	354.454	1.554	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cn(C4CCC4)nn3)CCC[C@@H]12	ZINC001107408431	904767909	/nfs/dbraw/zinc/76/79/09/904767909.db2.gz	WBGPYRHMCGIBMD-UYAOXDASSA-N	1	0	371.485	1.627	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)c3ccnn3C)CCC[C@@H]12	ZINC001107411995	904810526	/nfs/dbraw/zinc/81/05/26/904810526.db2.gz	LIRGKUJBJBBPII-YVWKXTFCSA-N	1	0	358.486	1.534	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3n[nH]c4c3CCC4)CCC[C@@H]12	ZINC001107458389	904977958	/nfs/dbraw/zinc/97/79/58/904977958.db2.gz	BGUUXENRPWVPMZ-OXQOHEQNSA-N	1	0	371.485	1.175	20	30		FDEDRO
N#Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[NH+]4CCC2CC4)C3)c[nH]1	ZINC000996723654	905050379	/nfs/dbraw/zinc/05/03/79/905050379.db2.gz	GPZJTCQPMIZUDH-BDXSIMOUSA-N	1	0	367.453	1.090	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[NH+]4CCC2CC4)C3)c1	ZINC000996725772	905058225	/nfs/dbraw/zinc/05/82/25/905058225.db2.gz	JSYDABIEMJBQFX-CBZIJGRNSA-N	1	0	367.453	1.090	20	30		FDEDRO
C=CCN1CC[C@@H](N2C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1=O	ZINC001080255047	905063435	/nfs/dbraw/zinc/06/34/35/905063435.db2.gz	NQJNIQNYZGBNPK-BRWVUGGUSA-N	1	0	362.518	1.084	20	30		FDEDRO
O=C(CON=Cc1cnn(-c2ccccc2)n1)NC1CC[NH+](C2CC2)CC1	ZINC000764565417	905074932	/nfs/dbraw/zinc/07/49/32/905074932.db2.gz	COFNAYBFEGYCSB-UHFFFAOYSA-N	1	0	368.441	1.361	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@]34CCC[C@H]3OCC4)CCC[C@@H]12	ZINC001107469812	905086153	/nfs/dbraw/zinc/08/61/53/905086153.db2.gz	NDGLTOIHUNGMEA-UKAVVXHISA-N	1	0	360.498	1.956	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCO[C@H]3C3CC3)CCC[C@@H]12	ZINC001107476813	905142573	/nfs/dbraw/zinc/14/25/73/905142573.db2.gz	QCFBPKBGDPQROK-WERVVEIQSA-N	1	0	360.498	1.812	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000996758303	905173544	/nfs/dbraw/zinc/17/35/44/905173544.db2.gz	RQDGHAQFZMGSFL-SJORKVTESA-N	1	0	354.410	1.256	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](CCC)OC)CCC[C@@H]12	ZINC001107497345	905205151	/nfs/dbraw/zinc/20/51/51/905205151.db2.gz	YGDYVNPLRQMBQE-FRQCXROJSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)COc3cnn(C)c3)CCC[C@@H]12	ZINC001107522672	905300977	/nfs/dbraw/zinc/30/09/77/905300977.db2.gz	NSBJJLKXEKRXAN-IEBWSBKVSA-N	1	0	362.474	1.362	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3Cc4ccccc43)CCC[C@@H]12	ZINC001107522604	905301923	/nfs/dbraw/zinc/30/19/23/905301923.db2.gz	KLGIKOGNWUOJBT-NNMXDRDESA-N	1	0	367.493	1.989	20	30		FDEDRO
C=CCN1CC[NH+](C2CCC(NC(=O)[C@H]3C[C@@H](C)CC(=O)N3)CC2)CC1	ZINC000996776921	905305900	/nfs/dbraw/zinc/30/59/00/905305900.db2.gz	QSLOGOMNDSRHQG-AQEOSJORSA-N	1	0	362.518	1.132	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2C[N@@H+](CCCN3C(=O)CNC3=O)C[C@H]2C)CC1	ZINC001080392557	905310606	/nfs/dbraw/zinc/31/06/06/905310606.db2.gz	KOOCGCHFSJPXFL-GDBMZVCRSA-N	1	0	362.474	1.111	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)C(F)F)CCC[C@@H]12	ZINC001107543377	905468828	/nfs/dbraw/zinc/46/88/28/905468828.db2.gz	GVCIHTBZNSZUAR-FZKQIMNGSA-N	1	0	355.429	1.388	20	30		FDEDRO
C#CCCN1CC[NH+](C2CCC(NC(=O)[C@@H]3CCO[C@H]3CC)CC2)CC1	ZINC000996788471	905486897	/nfs/dbraw/zinc/48/68/97/905486897.db2.gz	XOZBYFVVTYSBJN-TUNPWDSISA-N	1	0	361.530	1.870	20	30		FDEDRO
Cn1cncc1[C@@H]1C[C@H]1C(=O)NC1CCC([NH+]2CCN(CC#N)CC2)CC1	ZINC000996788938	905527255	/nfs/dbraw/zinc/52/72/55/905527255.db2.gz	IBWKHEMGSMYBGQ-OPQOLIRYSA-N	1	0	370.501	1.092	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC([NH+]2CCN(CC#CC)CC2)CC1	ZINC000996789996	905529401	/nfs/dbraw/zinc/52/94/01/905529401.db2.gz	UTBDUUYJEXHAPD-TUNPWDSISA-N	1	0	359.514	1.646	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@H]2OC)cc1	ZINC001082013003	905558431	/nfs/dbraw/zinc/55/84/31/905558431.db2.gz	UKRHPZZUFZSGCA-RTBURBONSA-N	1	0	352.438	1.073	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)C(C)(F)F)CCC[C@@H]12	ZINC001107552717	905561177	/nfs/dbraw/zinc/56/11/77/905561177.db2.gz	SWLCNSKNWNORRB-HBUWYVDXSA-N	1	0	355.429	1.388	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)CCC[C@@H]12	ZINC001107554752	905571748	/nfs/dbraw/zinc/57/17/48/905571748.db2.gz	LWWXEJCWYDUGEL-QEUVDIPISA-N	1	0	370.497	1.534	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CN3C(=O)Cc4ccccc43)CCC[C@@H]12	ZINC001107559063	905613250	/nfs/dbraw/zinc/61/32/50/905613250.db2.gz	XYKIHIMUHZKDLC-DENIHFKCSA-N	1	0	365.477	1.960	20	30		FDEDRO
CN(C)C(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2	ZINC001107571057	905650073	/nfs/dbraw/zinc/65/00/73/905650073.db2.gz	PRWBXBRBFKMGGJ-DENIHFKCSA-N	1	0	367.493	1.877	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](NC(=O)COC)C(C)C)CCC[C@@H]12	ZINC001107571375	905653204	/nfs/dbraw/zinc/65/32/04/905653204.db2.gz	ZMXWALBGYBXBTG-IMFGXOCKSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](NC(=O)COC)C(C)C)CCC[C@@H]12	ZINC001107571368	905653386	/nfs/dbraw/zinc/65/33/86/905653386.db2.gz	ZESVNUDYWUNYPI-IMFGXOCKSA-N	1	0	365.518	1.711	20	30		FDEDRO
CO[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1NC(=O)C1CC[NH+](C)CC1	ZINC001082092614	905745227	/nfs/dbraw/zinc/74/52/27/905745227.db2.gz	IANRKVDSQNNWFG-WOJBJXKFSA-N	1	0	355.482	1.195	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@H]2C)nn1	ZINC001080589773	905757857	/nfs/dbraw/zinc/75/78/57/905757857.db2.gz	KURVFLHRDVHMSV-SZVBFZGTSA-N	1	0	369.469	1.638	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)COCc3ccncc3)CCC[C@@H]12	ZINC001107588578	905798241	/nfs/dbraw/zinc/79/82/41/905798241.db2.gz	MVTMSHHDJVSCPX-TZIWHRDSSA-N	1	0	371.481	1.609	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3nc(C)oc3C)CCC[C@@H]12	ZINC001107586197	905832834	/nfs/dbraw/zinc/83/28/34/905832834.db2.gz	KFIXIORHYYPKIQ-DNVCBOLYSA-N	1	0	358.442	1.015	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CC(C)(C)CO3)C[C@H]2OC)c1	ZINC001082118365	905833694	/nfs/dbraw/zinc/83/36/94/905833694.db2.gz	UVTRJDULFQFWBL-KZNAEPCWSA-N	1	0	357.454	1.307	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc(-n3cccn3)ccn2)[C@H](OC)C1	ZINC001082122694	905850868	/nfs/dbraw/zinc/85/08/68/905850868.db2.gz	AVYDLTBMILOEGD-QZTJIDSGSA-N	1	0	355.442	1.663	20	30		FDEDRO
CCn1nc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)ccc1=O	ZINC001080637298	905863003	/nfs/dbraw/zinc/86/30/03/905863003.db2.gz	BJJXITUHEBKAAG-RDTXWAMCSA-N	1	0	365.437	1.385	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)c3cscn3)CCC[C@@H]12	ZINC001107599223	905903895	/nfs/dbraw/zinc/90/38/95/905903895.db2.gz	DLXBMQWUEZYCJO-CRAIPNDOSA-N	1	0	362.499	1.810	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cc2ncccn2n1	ZINC001080648806	905921917	/nfs/dbraw/zinc/92/19/17/905921917.db2.gz	CGHGZMNCQHAMTA-RDTXWAMCSA-N	1	0	360.421	1.851	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C	ZINC001082133991	905935965	/nfs/dbraw/zinc/93/59/65/905935965.db2.gz	XCALVFGGONYDAB-KBRIMQKVSA-N	1	0	362.499	1.419	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)c3ccccc3)CCC[C@@H]12	ZINC001107609978	905967228	/nfs/dbraw/zinc/96/72/28/905967228.db2.gz	JXMOSGVXOWMZNX-LRXVAGHRSA-N	1	0	367.493	1.900	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)c3cccnc3)CCC[C@@H]12	ZINC001107612126	905975721	/nfs/dbraw/zinc/97/57/21/905975721.db2.gz	SKBILPHTMLGCHE-HGHGUNKESA-N	1	0	370.497	1.848	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc(Cl)no3)CCC[C@@H]12	ZINC001107614703	905999404	/nfs/dbraw/zinc/99/94/04/905999404.db2.gz	JFLPTYRGWGVBDZ-RHSMWYFYSA-N	1	0	351.834	1.952	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)Cn3nc(C)ccc3=O)CCC[C@@H]12	ZINC001107615722	906004694	/nfs/dbraw/zinc/00/46/94/906004694.db2.gz	KADOYDULBKFELL-YLJYHZDGSA-N	1	0	358.486	1.879	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)Cc3ccccc3)CCC[C@@H]12	ZINC001107625729	906041289	/nfs/dbraw/zinc/04/12/89/906041289.db2.gz	KVPVGJRHBUROCA-WIYYLYMNSA-N	1	0	355.482	1.892	20	30		FDEDRO
C#Cc1ccccc1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC)CC2	ZINC001107620894	906058701	/nfs/dbraw/zinc/05/87/01/906058701.db2.gz	CWNROTHEBQTXKN-DENIHFKCSA-N	1	0	367.493	1.707	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCS3(=O)=O)CCC[C@@H]12	ZINC001107638750	906184087	/nfs/dbraw/zinc/18/40/87/906184087.db2.gz	KWIJDBPEYPDNRX-JFIYKMOQSA-N	1	0	370.515	1.127	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(C)C1CC1)CC2	ZINC001107650478	906224188	/nfs/dbraw/zinc/22/41/88/906224188.db2.gz	DFPFVKFQDUYJAP-XAUMDUMWSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)COC[C@@H]3CCCO3)CCC[C@@H]12	ZINC001107654790	906252567	/nfs/dbraw/zinc/25/25/67/906252567.db2.gz	JJNYKCZHWDBWJM-NLWGTHIKSA-N	1	0	366.502	1.745	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1C	ZINC001080807142	906294599	/nfs/dbraw/zinc/29/45/99/906294599.db2.gz	YSIIAZZKFWCUTC-SOLBZPMBSA-N	1	0	371.481	1.959	20	30		FDEDRO
CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C	ZINC001080813259	906378210	/nfs/dbraw/zinc/37/82/10/906378210.db2.gz	RUAVVKKIIQDNFD-ZMYBRWDISA-N	1	0	354.454	1.506	20	30		FDEDRO
C=C(Br)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCN(C(C)=O)C2)C1	ZINC001080855769	906455345	/nfs/dbraw/zinc/45/53/45/906455345.db2.gz	AKYKRGFTJMPLJM-DDTOSNHZSA-N	1	0	358.280	1.200	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C)n(C)c3C)C2)C1=O	ZINC001080915672	906657811	/nfs/dbraw/zinc/65/78/11/906657811.db2.gz	IMJNMELLCOUUIE-XWIAVFTESA-N	1	0	358.486	1.479	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@H]2OC)cn1	ZINC001082333558	906825567	/nfs/dbraw/zinc/82/55/67/906825567.db2.gz	NSIJFNJSPBWJQO-RTBURBONSA-N	1	0	357.454	1.309	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CC(C)(C)CO3)C[C@H]2OC)cn1	ZINC001082334112	906831904	/nfs/dbraw/zinc/83/19/04/906831904.db2.gz	SPUDVRLGCNKYEE-KZNAEPCWSA-N	1	0	357.454	1.307	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)NC1(CO)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001080956170	906867379	/nfs/dbraw/zinc/86/73/79/906867379.db2.gz	MPNOWIBAVVPXGY-GVDBMIGSSA-N	1	0	365.518	1.399	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CCS(=O)(=O)CC1)C2	ZINC001112539270	906893328	/nfs/dbraw/zinc/89/33/28/906893328.db2.gz	RXAYMNBAWHPVCO-HKUYNNGSSA-N	1	0	368.543	1.996	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(N(C)C)c2)C[C@H]1O	ZINC001077694541	906897578	/nfs/dbraw/zinc/89/75/78/906897578.db2.gz	VDHIREZXQWLUDS-MKXGPGLRSA-N	1	0	359.470	1.005	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccc3c(c2)nnn3C)CC1	ZINC000997010768	906922010	/nfs/dbraw/zinc/92/20/10/906922010.db2.gz	AYWZDNVPXQIYGC-APWZRJJASA-N	1	0	369.469	1.640	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2cn(CC3CC3)nn2)CC1	ZINC000997010962	906923285	/nfs/dbraw/zinc/92/32/85/906923285.db2.gz	FIOWVCXHKIWTMJ-MSOLQXFVSA-N	1	0	359.474	1.360	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2nccn2C(F)F)CC1	ZINC000997010800	906923500	/nfs/dbraw/zinc/92/35/00/906923500.db2.gz	BLLHCUNTCYRIES-KGLIPLIRSA-N	1	0	354.401	1.950	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1OC	ZINC001082345281	906935350	/nfs/dbraw/zinc/93/53/50/906935350.db2.gz	CMCXDLZMYZJMGH-PWIZWCRZSA-N	1	0	356.466	1.452	20	30		FDEDRO
C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C)N1CCCCC1=O	ZINC001080987176	906951601	/nfs/dbraw/zinc/95/16/01/906951601.db2.gz	PXRUQBUNUOKTRG-JTDSTZFVSA-N	1	0	368.481	1.896	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOC2CCCCCC2)C[C@H]1O	ZINC001077698934	906969279	/nfs/dbraw/zinc/96/92/79/906969279.db2.gz	HRKCLUDLTIODPC-MKXGPGLRSA-N	1	0	366.502	1.478	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)C[C@H]1O	ZINC001077698993	906969605	/nfs/dbraw/zinc/96/96/05/906969605.db2.gz	KUDWCOAZXLVTDD-WTGUMLROSA-N	1	0	356.466	1.816	20	30		FDEDRO
COC(=O)CCC[NH+]1CCC(=NNC(=S)NC[C@@H]2CCCO2)CC1	ZINC000727058751	907113093	/nfs/dbraw/zinc/11/30/93/907113093.db2.gz	FJMZATPPEOULSS-AWEZNQCLSA-N	1	0	356.492	1.035	20	30		FDEDRO
CC[C@@H]([NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1c1ccccc1)C(N)=O	ZINC001081106716	907197554	/nfs/dbraw/zinc/19/75/54/907197554.db2.gz	WCDMSPOXOGMTFX-LZLYRXPVSA-N	1	0	365.437	1.348	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc3c(c2)nnn3C)C[C@H]1c1ccccc1	ZINC001081146683	907257889	/nfs/dbraw/zinc/25/78/89/907257889.db2.gz	MWNRHQNZWVKVPY-FUHWJXTLSA-N	1	0	360.421	1.194	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nccn3cc(C)nc23)C[C@H]1c1ccccc1	ZINC001081211019	907316961	/nfs/dbraw/zinc/31/69/61/907316961.db2.gz	BEPGHLYBATXBPJ-ZWKOTPCHSA-N	1	0	359.433	1.869	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn3ccc(C)nc23)C[C@H]1c1ccccc1	ZINC001081215453	907325209	/nfs/dbraw/zinc/32/52/09/907325209.db2.gz	LMPJDGFLYVEXSO-RBUKOAKNSA-N	1	0	359.433	1.869	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCCCC(=O)N2)C[C@H]1c1ccccc1	ZINC001081218991	907328079	/nfs/dbraw/zinc/32/80/79/907328079.db2.gz	DVEFDNITMPPOGO-GBESFXJTSA-N	1	0	353.466	1.653	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2cn(C)nn2)C[C@H]1c1ccccc1	ZINC001081234189	907435487	/nfs/dbraw/zinc/43/54/87/907435487.db2.gz	YKSIAWYHZDCNOS-RBUKOAKNSA-N	1	0	353.470	1.908	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CCO[C@@]2(CCSC2)C1)C1CC[NH+](C)CC1	ZINC000921540277	907710615	/nfs/dbraw/zinc/71/06/15/907710615.db2.gz	GKJIYHMHLNRPPJ-YJBOKZPZSA-N	1	0	351.516	1.780	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1[NH2+]C[C@H](O)c1ccccc1F	ZINC001082465026	907900323	/nfs/dbraw/zinc/90/03/23/907900323.db2.gz	YZVKEWNKNVFVPH-PJSAGSTRSA-N	1	0	356.401	1.809	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1[NH2+]Cc1cc2n(n1)CCCC2	ZINC001082464819	907900519	/nfs/dbraw/zinc/90/05/19/907900519.db2.gz	IVHJEMZOFIQKNY-FZKQIMNGSA-N	1	0	352.442	1.669	20	30		FDEDRO
CCOc1cccc(C[NH2+][C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)n1	ZINC001082483599	907906849	/nfs/dbraw/zinc/90/68/49/907906849.db2.gz	RUOGYLYFTFFVAJ-CXAGYDPISA-N	1	0	353.426	1.930	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]CC(=O)N1CCC[C@H](C)C1	ZINC001082480288	907949192	/nfs/dbraw/zinc/94/91/92/907949192.db2.gz	WBCZWMNXZVLAOC-JJRVBVJISA-N	1	0	357.458	1.195	20	30		FDEDRO
CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)C1	ZINC001082489898	907994954	/nfs/dbraw/zinc/99/49/54/907994954.db2.gz	PYFXXNKDAIQHHJ-KZULUSFZSA-N	1	0	358.417	1.112	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2ccc(C)nn2)C[C@H]1C	ZINC001082505605	908124919	/nfs/dbraw/zinc/12/49/19/908124919.db2.gz	RNZNRCFEODLUMU-FZKQIMNGSA-N	1	0	365.437	1.916	20	30		FDEDRO
Cc1cn(C)nc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC001082505788	908127500	/nfs/dbraw/zinc/12/75/00/908127500.db2.gz	HFRIDDAOFMXFIK-SJKOYZFVSA-N	1	0	355.417	1.990	20	30		FDEDRO
C[C@@H]1CN(C(=O)CO[C@H]2CCOC2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082508049	908150921	/nfs/dbraw/zinc/15/09/21/908150921.db2.gz	NZEVOSYXTLSSDK-JEBQAFNWSA-N	1	0	361.417	1.439	20	30		FDEDRO
Cc1cccn(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)c1=O	ZINC001082509159	908165439	/nfs/dbraw/zinc/16/54/39/908165439.db2.gz	UFXGOFBMTGGGLW-VQIMIIECSA-N	1	0	364.449	1.665	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(C#N)c[nH]1	ZINC000997336843	908258952	/nfs/dbraw/zinc/25/89/52/908258952.db2.gz	LRFRVMJVHBIKAK-MXSMSXNCSA-N	1	0	369.469	1.622	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cn(C)nc3C3CC3)C[C@H]2C)C1=O	ZINC001082536299	908323539	/nfs/dbraw/zinc/32/35/39/908323539.db2.gz	CFPWHVBNHIYLBO-KBRIMQKVSA-N	1	0	371.485	1.135	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3c(C4CC4)cnn3C)C[C@H]2C)C1=O	ZINC001082552599	908522254	/nfs/dbraw/zinc/52/22/54/908522254.db2.gz	GLPBKXCOSUJVMD-XOKHGSTOSA-N	1	0	371.485	1.135	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCC(=O)NC2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082555189	908552763	/nfs/dbraw/zinc/55/27/63/908552763.db2.gz	VVIRECQOSKRQNA-ZTFGCOKTSA-N	1	0	354.454	1.411	20	30		FDEDRO
CCn1nnc(C)c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC001082555164	908552973	/nfs/dbraw/zinc/55/29/73/908552973.db2.gz	UWTQAMXFXHBHHZ-SJKOYZFVSA-N	1	0	370.432	1.868	20	30		FDEDRO
CC(C)N1C[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)CC1=O	ZINC001082541286	908563718	/nfs/dbraw/zinc/56/37/18/908563718.db2.gz	RTNKHFIIBFTCGG-AYOQOUSVSA-N	1	0	368.481	1.752	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CCN(C(=O)C2CC2)C[C@@H]1CC)C1CC[NH+](C)CC1	ZINC000921613859	908581328	/nfs/dbraw/zinc/58/13/28/908581328.db2.gz	JHAJFJAOIWWNIA-LPHOPBHVSA-N	1	0	374.529	1.763	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)s2)C1	ZINC001082567824	908701860	/nfs/dbraw/zinc/70/18/60/908701860.db2.gz	DOKAPZQVVAZZRT-OLMNPRSZSA-N	1	0	356.495	1.654	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C)c(C)s2)C1	ZINC001082568040	908706706	/nfs/dbraw/zinc/70/67/06/908706706.db2.gz	UGCRIAMCJFPKFV-XYPHTWIQSA-N	1	0	360.527	1.794	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082578847	908764989	/nfs/dbraw/zinc/76/49/89/908764989.db2.gz	PPVZEEMLNLRPHJ-BDJLRTHQSA-N	1	0	355.373	1.443	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082580973	908783721	/nfs/dbraw/zinc/78/37/21/908783721.db2.gz	PGMJTUBRFBFRNL-ZTFGCOKTSA-N	1	0	370.453	1.194	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@H](NC(=O)CC[N@@H+](C)CC)CC1	ZINC001060841282	908825642	/nfs/dbraw/zinc/82/56/42/908825642.db2.gz	UEZHIEGFMUXQIU-TVFCKZIOSA-N	1	0	365.518	1.711	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(C(=O)C(C)C)C[C@H]2CC)CC1	ZINC000921618974	908835764	/nfs/dbraw/zinc/83/57/64/908835764.db2.gz	BZZMXOBYCCUTTR-SJLPKXTDSA-N	1	0	362.518	1.666	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1)S(C)(=O)=O	ZINC001082597772	908945421	/nfs/dbraw/zinc/94/54/21/908945421.db2.gz	MUSRKQKTQFOUQD-XHBSWPGZSA-N	1	0	367.446	1.067	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCN(C)C(=O)C2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082599606	908958102	/nfs/dbraw/zinc/95/81/02/908958102.db2.gz	BLVDQQGGQWACHP-RVKKMQEKSA-N	1	0	354.454	1.363	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082599959	908960507	/nfs/dbraw/zinc/96/05/07/908960507.db2.gz	SZYYOIMRLKSIOX-XJKCOSOUSA-N	1	0	360.483	1.425	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)COC3CCCCC3)C[C@H]2C)C1=O	ZINC001082610326	908999622	/nfs/dbraw/zinc/99/96/22/908999622.db2.gz	VECZVPVQHUBKDT-KBAYOESNSA-N	1	0	363.502	1.559	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082611480	909006876	/nfs/dbraw/zinc/00/68/76/909006876.db2.gz	JETQCAZSWRNLNV-SUYBPPKGSA-N	1	0	358.417	1.160	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1OC)OCC	ZINC001212355071	909073895	/nfs/dbraw/zinc/07/38/95/909073895.db2.gz	SEGFQJCMUVDLFA-CEXWTWQISA-N	1	0	368.518	1.990	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082627987	909156616	/nfs/dbraw/zinc/15/66/16/909156616.db2.gz	IAYIDHYHMNTJNY-FHLIZLRMSA-N	1	0	369.469	1.285	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)[C@H](OC)C1	ZINC001212365617	909212121	/nfs/dbraw/zinc/21/21/21/909212121.db2.gz	BOLORFLYKZKNRB-BZUAXINKSA-N	1	0	367.490	1.310	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCNC(=O)CC2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082664743	909445835	/nfs/dbraw/zinc/44/58/35/909445835.db2.gz	HSPPZWFVJDLTKZ-ZTFGCOKTSA-N	1	0	354.454	1.411	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2csnn2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082668698	909476956	/nfs/dbraw/zinc/47/69/56/909476956.db2.gz	JWKXZTBFAZJOTR-IUODEOHRSA-N	1	0	357.439	1.691	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCC[C@H](C)C3)C2)cc1	ZINC001082678423	909561491	/nfs/dbraw/zinc/56/14/91/909561491.db2.gz	VBJFOXAGTWTEAR-SQGPQFPESA-N	1	0	367.493	1.977	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H]3CCN(CC=C)C3=O)C2)cc1	ZINC001082678457	909561847	/nfs/dbraw/zinc/56/18/47/909561847.db2.gz	XUUSWYZCYQCTLJ-AYOQOUSVSA-N	1	0	351.450	1.505	20	30		FDEDRO
CC(C)N1C(=O)CC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001082701531	909615161	/nfs/dbraw/zinc/61/51/61/909615161.db2.gz	SBMBBZFXIBQKTD-LZQZEXGQSA-N	1	0	368.481	1.894	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2c(C)nc[nH]c2=O)C[C@H]1C	ZINC001082697819	909656659	/nfs/dbraw/zinc/65/66/59/909656659.db2.gz	ZOYFTLPYLRIEBJ-LDYMZIIASA-N	1	0	355.236	1.449	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082746492	909684176	/nfs/dbraw/zinc/68/41/76/909684176.db2.gz	KQPBXKJQJXFQLF-ZUMXRPEOSA-N	1	0	372.444	1.535	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082746626	909686126	/nfs/dbraw/zinc/68/61/26/909686126.db2.gz	RORYCQMFQHZYSG-LJGDNWOOSA-N	1	0	372.444	1.535	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnnn2CC)CC1	ZINC000997781531	909688159	/nfs/dbraw/zinc/68/81/59/909688159.db2.gz	KWSSWCVMAQBCFV-MSOLQXFVSA-N	1	0	361.490	1.607	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)N3CCCCC3)C2)c1	ZINC001082730002	909863554	/nfs/dbraw/zinc/86/35/54/909863554.db2.gz	VDUGZRRSUHPAQM-GPMSIDNRSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@H](O)c3ccc(F)cc3)C2)c1	ZINC001082730005	909863663	/nfs/dbraw/zinc/86/36/63/909863663.db2.gz	VDVYPKIHEYNLPD-XMCHAPAWSA-N	1	0	367.424	1.986	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccn(C)c(=O)c3)C2)c1	ZINC001082730072	909863673	/nfs/dbraw/zinc/86/36/73/909863673.db2.gz	YFNTYSDEBWWPJT-RDTXWAMCSA-N	1	0	350.422	1.012	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082745044	909968945	/nfs/dbraw/zinc/96/89/45/909968945.db2.gz	YCRPRQYOHRFXLI-GMLZMKKNSA-N	1	0	372.444	1.358	20	30		FDEDRO
C[C@@H]1CN(C(=O)COC2CCOCC2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082777830	910117768	/nfs/dbraw/zinc/11/77/68/910117768.db2.gz	GJHNQRZKWTUMKG-CXAGYDPISA-N	1	0	363.483	1.752	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccnc3OC)C2)nn1	ZINC001082796228	910184164	/nfs/dbraw/zinc/18/41/64/910184164.db2.gz	XNNQWXDGSZHMMF-GDBMZVCRSA-N	1	0	370.457	1.508	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(C)sc3C)C2)nn1	ZINC001082791109	910191632	/nfs/dbraw/zinc/19/16/32/910191632.db2.gz	BETDMGWFVGIULL-IAQYHMDHSA-N	1	0	360.487	1.788	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@H]3CCC(F)(F)C3)C2)nn1	ZINC001082791351	910193383	/nfs/dbraw/zinc/19/33/83/910193383.db2.gz	NDTYTVMQKFRPTJ-HZSPNIEDSA-N	1	0	353.417	1.950	20	30		FDEDRO
C=C(C)CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1	ZINC000998114360	910377417	/nfs/dbraw/zinc/37/74/17/910377417.db2.gz	GCBFMHWFISSXQT-YESZJQIVSA-N	1	0	351.491	1.689	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccn(CC)n2)C1	ZINC001082868916	910507605	/nfs/dbraw/zinc/50/76/05/910507605.db2.gz	BXGJQADWUXUNNV-CRAIPNDOSA-N	1	0	367.453	1.560	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)N3CCCCC3)C2)nc1	ZINC001082870233	910517789	/nfs/dbraw/zinc/51/77/89/910517789.db2.gz	JALJDOMJKIMOAW-JTDSTZFVSA-N	1	0	368.481	1.514	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(N(C)C)nn2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082866399	910547277	/nfs/dbraw/zinc/54/72/77/910547277.db2.gz	HUAHASHERYDALZ-RDTXWAMCSA-N	1	0	364.453	1.665	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCCCC2)C1	ZINC001082885415	910667611	/nfs/dbraw/zinc/66/76/11/910667611.db2.gz	YFDNLOFUMFSZPM-YLJYHZDGSA-N	1	0	367.493	1.659	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC(=O)NC2)[C@H](OC)C1	ZINC001212395408	910733299	/nfs/dbraw/zinc/73/32/99/910733299.db2.gz	FVCGWXYOZURPFC-BRWVUGGUSA-N	1	0	351.491	1.465	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cncn2C)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082893242	910743650	/nfs/dbraw/zinc/74/36/50/910743650.db2.gz	WGBNZGBJHIGUJQ-DNVCBOLYSA-N	1	0	351.454	1.861	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCOCCCC)C[C@H]2OC)CCOCC1	ZINC001212395740	910754373	/nfs/dbraw/zinc/75/43/73/910754373.db2.gz	LEVLZPBFHLZDRC-QZTJIDSGSA-N	1	0	366.502	1.439	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@H]2OC)CCOCC1	ZINC001212396013	910758376	/nfs/dbraw/zinc/75/83/76/910758376.db2.gz	XCBJLGFTIBUVSN-KZNAEPCWSA-N	1	0	364.486	1.191	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(N)=O)nc2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082958338	911146177	/nfs/dbraw/zinc/14/61/77/911146177.db2.gz	XVMBRDNTGUXJLY-FZKQIMNGSA-N	1	0	363.421	1.302	20	30		FDEDRO
CCn1nc(C)c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)n1	ZINC001082961816	911182488	/nfs/dbraw/zinc/18/24/88/911182488.db2.gz	VJMHZNQMMUMIDN-CXAGYDPISA-N	1	0	352.442	1.728	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)c2occc2C[NH+](C)C)C1	ZINC000998550618	911216344	/nfs/dbraw/zinc/21/63/44/911216344.db2.gz	MMCMFWRJLDFRBY-CVEARBPZSA-N	1	0	361.442	1.263	20	30		FDEDRO
C#CCC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@@H]1C[C@H]1CC(C)C)CC2	ZINC001128039462	911710451	/nfs/dbraw/zinc/71/04/51/911710451.db2.gz	JVMTZBJEPUWIQS-BRWVUGGUSA-N	1	0	357.502	1.894	20	30		FDEDRO
CO[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C	ZINC001212410304	911893630	/nfs/dbraw/zinc/89/36/30/911893630.db2.gz	PXTBUSANIATIRN-VAMGGRTRSA-N	1	0	355.482	1.194	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+]2CCCC2)nc1	ZINC000998953105	911903354	/nfs/dbraw/zinc/90/33/54/911903354.db2.gz	XGHSZNDVIVLQBO-NJAFHUGGSA-N	1	0	352.438	1.020	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COCCO1	ZINC001085136819	921702900	/nfs/dbraw/zinc/70/29/00/921702900.db2.gz	NFUACGJOTMGCKC-KURKYZTESA-N	1	0	361.417	1.630	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc4ccccc4c(=O)o3)[C@H]2C1	ZINC001083094399	911985218	/nfs/dbraw/zinc/98/52/18/911985218.db2.gz	BOPFKXUPKLCYLO-FUHWJXTLSA-N	1	0	354.406	1.894	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C2CC2)[NH+](C)C)cc1	ZINC000999072116	912026732	/nfs/dbraw/zinc/02/67/32/912026732.db2.gz	IAAYPYHQPGUSLW-FYQPLNBISA-N	1	0	365.477	1.870	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCn2c(C)csc2=O)[C@H](OC)C1	ZINC001212411825	912179633	/nfs/dbraw/zinc/17/96/33/912179633.db2.gz	KGSJBLMRMOHIIE-NUEKZKHPSA-N	1	0	367.515	1.778	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1	ZINC000999184022	912192364	/nfs/dbraw/zinc/19/23/64/912192364.db2.gz	ZAILDINWHNRFJD-KSZLIROESA-N	1	0	359.470	1.447	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCn3nc(C)cc3C)C[C@H]21	ZINC001084672695	916066095	/nfs/dbraw/zinc/06/60/95/916066095.db2.gz	IVTNYKPVXKJREP-MKXGPGLRSA-N	1	0	358.486	1.624	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccnnc4)[C@@H]3C2)cc1	ZINC001084681331	916174682	/nfs/dbraw/zinc/17/46/82/916174682.db2.gz	DMXISAQMCGXQJT-IEBWSBKVSA-N	1	0	363.421	1.725	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3CC[N@H+](CCc4cccs4)C[C@H]32)nn1	ZINC001084708650	916391751	/nfs/dbraw/zinc/39/17/51/916391751.db2.gz	OCVDXHBDPJACSH-RHSMWYFYSA-N	1	0	357.483	1.915	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)CCN4CCOCC4)[C@@H]3C2)c1	ZINC001084723791	916539653	/nfs/dbraw/zinc/53/96/53/916539653.db2.gz	YNRMIDIDCSMVRX-WOJBJXKFSA-N	1	0	368.481	1.313	20	30		FDEDRO
Cn1cccc(C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)c1=O	ZINC001084782692	917113292	/nfs/dbraw/zinc/11/32/92/917113292.db2.gz	FDVIDJMQQHCLSD-IEBWSBKVSA-N	1	0	362.433	1.603	20	30		FDEDRO
CC(C)[NH2+][C@H]1CCCN(CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1	ZINC000731032352	917644268	/nfs/dbraw/zinc/64/42/68/917644268.db2.gz	HVMPPOUBQYLLLS-HOCLYGCPSA-N	1	0	367.453	1.974	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4ccn(CC)n4)C[C@H]32)CC1	ZINC001084851059	917658599	/nfs/dbraw/zinc/65/85/99/917658599.db2.gz	LLTFEVOZLWDHNR-UYAOXDASSA-N	1	0	369.513	1.281	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1	ZINC000731129039	917775634	/nfs/dbraw/zinc/77/56/34/917775634.db2.gz	FPAYAVLBQPVVEX-UHFFFAOYSA-N	1	0	357.454	1.970	20	30		FDEDRO
O=c1nc(N=NC2CC[NH+](CCc3ccccc3)CC2)nc2[nH][nH]cc1-2	ZINC000731154279	917798368	/nfs/dbraw/zinc/79/83/68/917798368.db2.gz	DCQHSLOXUOFCMP-UHFFFAOYSA-N	1	0	351.414	1.538	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@H]2CCCC[N@H+]2CCCC)CC1	ZINC000731223227	917910793	/nfs/dbraw/zinc/91/07/93/917910793.db2.gz	KHNFORDBYMAQPJ-GOSISDBHSA-N	1	0	362.518	1.812	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ccc(C)o4)C[C@@H]32)C1=O	ZINC001084885383	917990894	/nfs/dbraw/zinc/99/08/94/917990894.db2.gz	WIIKYVQMIDVXMU-BBWFWOEESA-N	1	0	357.454	1.911	20	30		FDEDRO
O=C(Cn1cccn1)N1CC[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)[C@H]2C1	ZINC001084889894	918021156	/nfs/dbraw/zinc/02/11/56/918021156.db2.gz	OSETXTZBOQQFOK-QUCCMNQESA-N	1	0	366.440	1.997	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4COCCO4)C[C@@H]32)cc1	ZINC001084894638	918072652	/nfs/dbraw/zinc/07/26/52/918072652.db2.gz	PXHZTRFLWYQJTO-CEXWTWQISA-N	1	0	355.438	1.396	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H]2CC[N@H+](Cc3cc(=O)[nH]c(C4CC4)n3)[C@H]2C1	ZINC001084906857	918174215	/nfs/dbraw/zinc/17/42/15/918174215.db2.gz	JZZKXHQWOGKSDF-IOASZLSFSA-N	1	0	355.442	1.642	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C[C@@H]21	ZINC001084905369	918193977	/nfs/dbraw/zinc/19/39/77/918193977.db2.gz	MJGGIOYAFSFQIO-OLMNPRSZSA-N	1	0	352.438	1.260	20	30		FDEDRO
S=C(NN=C1CC[NH+](CCN2CCOCC2)CC1)NC1CCCCC1	ZINC000731557691	918198209	/nfs/dbraw/zinc/19/82/09/918198209.db2.gz	WKTLOKQCVGSURS-UHFFFAOYSA-N	1	0	367.563	1.567	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cc[nH]c4C)C[C@@H]32)C1=O	ZINC001084915999	918291957	/nfs/dbraw/zinc/29/19/57/918291957.db2.gz	BOHUYZXSOKXOGB-JQHSSLGASA-N	1	0	356.470	1.646	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cc[nH]c(=O)c4)C[C@@H]32)C1=O	ZINC001084919347	918313007	/nfs/dbraw/zinc/31/30/07/918313007.db2.gz	GDMYWOHNKOSTDK-UAGQMJEPSA-N	1	0	370.453	1.111	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3CC[N@@H+](CCO[C@H]4CC4(F)F)[C@H]3C2)c[nH]1	ZINC001084925597	918359236	/nfs/dbraw/zinc/35/92/36/918359236.db2.gz	JMCMXSORMYGBJT-KCXAZCMYSA-N	1	0	364.396	1.847	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)Cc4cccnc4)C[C@@H]32)C1=O	ZINC001084921495	918362100	/nfs/dbraw/zinc/36/21/00/918362100.db2.gz	CAIIPAPYDZWIHF-OTWHNJEPSA-N	1	0	368.481	1.334	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2CC[N@H+](CCN3CCNC3=O)[C@H]2C1	ZINC001084958984	918857914	/nfs/dbraw/zinc/85/79/14/918857914.db2.gz	JGEAPDXCBDEORP-AEFFLSMTSA-N	1	0	371.485	1.236	20	30		FDEDRO
COC(=O)c1ccc2[nH]cc(C=NNC(=S)NCCC[NH+](C)C)c2c1	ZINC000731930976	918858251	/nfs/dbraw/zinc/85/82/51/918858251.db2.gz	VCAIVRBVPMWGJQ-UHFFFAOYSA-N	1	0	361.471	1.704	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCO[C@H]3c3nccn3C)C[C@@H]21	ZINC001084961389	918864902	/nfs/dbraw/zinc/86/49/02/918864902.db2.gz	DULUQDGXYOGMRD-AKHDSKFASA-N	1	0	370.497	1.834	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3c3ncccn3)C[C@@H]21	ZINC001084962063	918870074	/nfs/dbraw/zinc/87/00/74/918870074.db2.gz	PKLHAAZVAHFDGN-KURKYZTESA-N	1	0	353.470	1.392	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001084961976	918870181	/nfs/dbraw/zinc/87/01/81/918870181.db2.gz	JWUNTJGUHLIIKP-NRDMVMEKSA-N	1	0	368.477	1.765	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CCC(=O)NC4)C[C@@H]32)cc1	ZINC001084978377	919060998	/nfs/dbraw/zinc/06/09/98/919060998.db2.gz	NEBRTHJZHDBSJM-QYZOEREBSA-N	1	0	366.465	1.507	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnc4c(c3)NC(=O)CO4)C[C@@H]21	ZINC001084981893	919115726	/nfs/dbraw/zinc/11/57/26/919115726.db2.gz	NYZMSDBISFLCTL-PBHICJAKSA-N	1	0	370.453	1.915	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c(c3)N(C)C(=O)C4)C[C@@H]21	ZINC001084982096	919116908	/nfs/dbraw/zinc/11/69/08/919116908.db2.gz	DTVJNGJMCOPTRY-BEFAXECRSA-N	1	0	351.450	1.765	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(OCC(N)=O)cc3)C[C@@H]21	ZINC001084984579	919173867	/nfs/dbraw/zinc/17/38/67/919173867.db2.gz	GQSWNNAAXDSHQF-QAPCUYQASA-N	1	0	355.438	1.110	20	30		FDEDRO
CN(CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@H]1CC[N@@H+](C2CC2)C1	ZINC000732214803	919218132	/nfs/dbraw/zinc/21/81/32/919218132.db2.gz	XTHBYRNDNIZBRD-HOCLYGCPSA-N	1	0	365.437	1.680	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3COCCN3CC(F)F)C[C@@H]21	ZINC001084998436	919387909	/nfs/dbraw/zinc/38/79/09/919387909.db2.gz	MBTCPRLSMQLXIA-IXDOHACOSA-N	1	0	371.472	1.841	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cnn(C)c3-n3cccc3)C[C@@H]21	ZINC001085002261	919483081	/nfs/dbraw/zinc/48/30/81/919483081.db2.gz	UIACRXIJKWTGKW-AEFFLSMTSA-N	1	0	351.454	1.771	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](CCN4CCCC4=O)[C@H]3C2)cc1	ZINC001085003515	919522082	/nfs/dbraw/zinc/52/20/82/919522082.db2.gz	SNADASQCUJXVRE-QUCCMNQESA-N	1	0	365.477	1.827	20	30		FDEDRO
CN1C(=O)CC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001085015048	919667903	/nfs/dbraw/zinc/66/79/03/919667903.db2.gz	UJYKVCZTYMZGSB-AQNXPRMDSA-N	1	0	365.477	1.582	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)Cc4occc4C)C[C@@H]32)C1=O	ZINC001085027831	919812928	/nfs/dbraw/zinc/81/29/28/919812928.db2.gz	RWRKNPPUGUJJMM-BZSNNMDCSA-N	1	0	371.481	1.840	20	30		FDEDRO
C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@H+](CCN4C(=O)CCC4=O)[C@H]3C2)C1	ZINC001085027576	919834292	/nfs/dbraw/zinc/83/42/92/919834292.db2.gz	WTGIUZUKGSWNTG-CVEARBPZSA-N	1	0	359.470	1.415	20	30		FDEDRO
C[C@@]1(C(=O)N2CC[C@H]3CC[N@H+](Cc4ccccc4C#N)[C@H]3C2)CCNC1=O	ZINC001085030520	919874468	/nfs/dbraw/zinc/87/44/68/919874468.db2.gz	JAZBYOLEFJWFOX-FYINFDKHSA-N	1	0	366.465	1.507	20	30		FDEDRO
C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000732815099	920166593	/nfs/dbraw/zinc/16/65/93/920166593.db2.gz	VQIVKIUOEPSKIW-CQSZACIVSA-N	1	0	368.359	1.982	20	30		FDEDRO
COc1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)c4nc[nH]n4)C[C@@H]32)cc1C#N	ZINC001085059453	920274190	/nfs/dbraw/zinc/27/41/90/920274190.db2.gz	YPFADGFLQOUENA-ZBFHGGJFSA-N	1	0	366.425	1.422	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cc(C)ncn4)[C@H]3C2)cn1	ZINC001085078383	920542852	/nfs/dbraw/zinc/54/28/52/920542852.db2.gz	PHBPNIZEKBVMAZ-UZLBHIALSA-N	1	0	361.449	1.898	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3c(C(F)(F)F)cnn3C)C[C@@H]21	ZINC001085085402	920679295	/nfs/dbraw/zinc/67/92/95/920679295.db2.gz	SJEDUSSVHSVVFA-OCCSQVGLSA-N	1	0	354.376	1.999	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C3CCN(C(=O)CCC)CC3)C[C@@H]21	ZINC001085099685	920905631	/nfs/dbraw/zinc/90/56/31/920905631.db2.gz	GLCDBRXICNPHHB-MJGOQNOKSA-N	1	0	359.514	1.971	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3CC(F)(F)F)C[C@@H]21	ZINC001085101658	920925881	/nfs/dbraw/zinc/92/58/81/920925881.db2.gz	XTKFYPKCTBGHBP-PMPSAXMXSA-N	1	0	357.420	1.959	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cn(C)nc2C)C1=O	ZINC001085153053	921829899	/nfs/dbraw/zinc/82/98/99/921829899.db2.gz	BBLQDDMQUSPMTN-BRWVUGGUSA-N	1	0	359.474	1.146	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc(C3CC3)[nH]2)[nH]1	ZINC001085173537	921969039	/nfs/dbraw/zinc/96/90/39/921969039.db2.gz	AYWHNEUUKVMFLU-ZIAGYGMSSA-N	1	0	353.430	1.713	20	30		FDEDRO
CCc1nnc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)[nH]1	ZINC001085172264	921982511	/nfs/dbraw/zinc/98/25/11/921982511.db2.gz	SXNNKJLZGAXOFG-IACUBPJLSA-N	1	0	355.446	1.959	20	30		FDEDRO
Cc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(C#N)c2)n1C1CC1	ZINC001085174579	921993998	/nfs/dbraw/zinc/99/39/98/921993998.db2.gz	IPUUROYXZSQGDC-IAGOWNOFSA-N	1	0	367.457	1.952	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cn(C)nn2)cc1C#N	ZINC001085189606	922147242	/nfs/dbraw/zinc/14/72/42/922147242.db2.gz	JUSCDXGCWFJDKX-HZPDHXFCSA-N	1	0	368.441	1.526	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2c(C)c([N+](=O)[O-])ccc2F)CC1	ZINC000282556708	922170812	/nfs/dbraw/zinc/17/08/12/922170812.db2.gz	RBISRWQLBLNWGC-UHFFFAOYSA-N	1	0	364.377	1.747	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C[NH+](CC)CC)CC1	ZINC001066194803	922581817	/nfs/dbraw/zinc/58/18/17/922581817.db2.gz	WXQDNJRRYWCBLW-KURKYZTESA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)CC[NH+](C)C)CC1	ZINC001066216639	922607552	/nfs/dbraw/zinc/60/75/52/922607552.db2.gz	CGCADLITFKOKEZ-BQFCYCMXSA-N	1	0	351.491	1.417	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2cncc(C#N)n2)CC[N@@H+]1C	ZINC001066202373	922622227	/nfs/dbraw/zinc/62/22/27/922622227.db2.gz	KQCDBDGEVRKOKA-DZUCGIPZSA-N	1	0	354.458	1.258	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC(=O)N(C)C1	ZINC001085216756	922852759	/nfs/dbraw/zinc/85/27/59/922852759.db2.gz	BTRGTBOSXNKFOW-JHJVBQTASA-N	1	0	358.280	1.390	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnc3n2CCC3)C1=O	ZINC001085229298	922978647	/nfs/dbraw/zinc/97/86/47/922978647.db2.gz	KEKVVKBLNTZXKB-OAGGEKHMSA-N	1	0	371.485	1.247	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCCNC2=O)s1	ZINC001085233410	923009223	/nfs/dbraw/zinc/00/92/23/923009223.db2.gz	VVRFLAMQZKPNLY-BZUAXINKSA-N	1	0	360.483	1.663	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnc[nH]c1=O	ZINC001085239138	923072414	/nfs/dbraw/zinc/07/24/14/923072414.db2.gz	WBJGKDICRYGPKV-IAGOWNOFSA-N	1	0	351.410	1.885	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC001085242591	923118086	/nfs/dbraw/zinc/11/80/86/923118086.db2.gz	YMJCNVWKLSVNKQ-KBUPBQIOSA-N	1	0	374.323	1.631	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCC(=O)NC2)c1	ZINC001085253862	923219213	/nfs/dbraw/zinc/21/92/13/923219213.db2.gz	JAKPYCVQOBTWNP-RCCFBDPRSA-N	1	0	354.454	1.601	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCCN(C)C2=O)cc1	ZINC001085293609	923610976	/nfs/dbraw/zinc/61/09/76/923610976.db2.gz	QNHZUMJGXBGFKQ-QRVBRYPASA-N	1	0	353.466	1.919	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2csc(=O)[nH]2)C1=O	ZINC001085304117	923699780	/nfs/dbraw/zinc/69/97/80/923699780.db2.gz	MPAQZFNJZAOAQW-JHJVBQTASA-N	1	0	364.471	1.266	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cn(CC)nn2)c1	ZINC001085326246	923888017	/nfs/dbraw/zinc/88/80/17/923888017.db2.gz	DRGPYQUXVOYVDH-QZTJIDSGSA-N	1	0	352.442	1.505	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc(C3CC3)[nH]2)c1	ZINC001085326143	923918116	/nfs/dbraw/zinc/91/81/16/923918116.db2.gz	YHXFNJMWFDSFBF-IAGOWNOFSA-N	1	0	364.453	1.889	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@H]1C(=O)N(C)C	ZINC001085334553	923968271	/nfs/dbraw/zinc/96/82/71/923968271.db2.gz	TZRGTEOKWFCZCJ-REWJHTLYSA-N	1	0	372.307	1.636	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[C@H]2C(N)=O)c1	ZINC001085334774	923971107	/nfs/dbraw/zinc/97/11/07/923971107.db2.gz	HYOLJNQTKDWDHH-YALNPMBYSA-N	1	0	358.417	1.336	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](C)C2CN(C(=O)[C@]34C[C@H]3CCC4)C2)CC1	ZINC001006245981	924010794	/nfs/dbraw/zinc/01/07/94/924010794.db2.gz	XHXHLXPOAAVTHT-FQELHTAISA-N	1	0	357.498	1.485	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C(N)=O)c1	ZINC001085338231	924020569	/nfs/dbraw/zinc/02/05/69/924020569.db2.gz	VGNGMZUNVHWLRZ-MKXGPGLRSA-N	1	0	371.481	1.894	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1c(C)nnn1CC	ZINC001085338148	924020830	/nfs/dbraw/zinc/02/08/30/924020830.db2.gz	PLGSHDSYHWAEJA-KONPQCLYSA-N	1	0	361.490	1.715	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cn(C[C@@H]2CCOC2)nn1	ZINC001085378086	924343388	/nfs/dbraw/zinc/34/33/88/924343388.db2.gz	FVHYHRZWFMMEPI-RRFJBIMHSA-N	1	0	367.881	1.698	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)C1	ZINC001085387697	924381468	/nfs/dbraw/zinc/38/14/68/924381468.db2.gz	BUORGAGYRRYTFX-ATZDWAIDSA-N	1	0	368.481	1.944	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCCC2)nc1	ZINC001085398354	924448103	/nfs/dbraw/zinc/44/81/03/924448103.db2.gz	CTTWNKGWBIBDAQ-QZTJIDSGSA-N	1	0	368.481	1.706	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(C(=O)NC)nc1	ZINC001085396723	924462547	/nfs/dbraw/zinc/46/25/47/924462547.db2.gz	BTTHUFJNQWTMMS-ZIAGYGMSSA-N	1	0	350.850	1.824	20	30		FDEDRO
N#Cc1ccc(N2C[C@@H]3CCCN(C(=O)[C@@H]4C[C@H]4c4c[nH]cn4)[C@@H]3C2)cn1	ZINC001066252509	924490781	/nfs/dbraw/zinc/49/07/81/924490781.db2.gz	QVVMNDQBEXOCFL-CNDLSXRNSA-N	1	0	362.437	1.907	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)CC1	ZINC000735937077	924685751	/nfs/dbraw/zinc/68/57/51/924685751.db2.gz	FMVGKRLDRUYBEW-CQSZACIVSA-N	1	0	372.421	1.673	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c(F)c1	ZINC000739964437	925317880	/nfs/dbraw/zinc/31/78/80/925317880.db2.gz	VTFMIDABEFFWNW-HNNXBMFYSA-N	1	0	367.446	1.619	20	30		FDEDRO
CC[N@@H+]1C[C@H](C)N(CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C[C@H]1C	ZINC000766251723	925376082	/nfs/dbraw/zinc/37/60/82/925376082.db2.gz	DTRNNKSSZHFVFH-IJEWVQPXSA-N	1	0	367.453	1.926	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)Cn2cccc(C(F)(F)F)c2=O)CC1	ZINC000740748544	925434471	/nfs/dbraw/zinc/43/44/71/925434471.db2.gz	NRRKFFJUADZKBN-UHFFFAOYSA-N	1	0	355.360	1.471	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1F	ZINC000741723124	925831857	/nfs/dbraw/zinc/83/18/57/925831857.db2.gz	UGTDIMWGYXAFAN-TZMCWYRMSA-N	1	0	369.462	1.503	20	30		FDEDRO
Cc1cc(C#N)nc(NCC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001066394135	925977775	/nfs/dbraw/zinc/97/77/75/925977775.db2.gz	ROKHTHKINLLAFK-HLLBOEOZSA-N	1	0	356.474	1.647	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cnc(C)nc2C)[C@@H](n2ccnn2)C1	ZINC001129326897	926192913	/nfs/dbraw/zinc/19/29/13/926192913.db2.gz	OMHBGGYMCGJQHL-SJORKVTESA-N	1	0	355.446	1.306	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC[C@H](C)C2)C1	ZINC001086202282	926287153	/nfs/dbraw/zinc/28/71/53/926287153.db2.gz	QXKJAZQKZFGLSI-AVEIZBFRSA-N	1	0	363.502	1.320	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)C(=O)c2cnn(-c3ccccc3)c2)CC1	ZINC000743489844	926377644	/nfs/dbraw/zinc/37/76/44/926377644.db2.gz	KNTGKIAMDPBPKM-UHFFFAOYSA-N	1	0	350.422	1.659	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cc(N3CCOC3=O)ccc2F)CC1	ZINC000743495817	926380387	/nfs/dbraw/zinc/38/03/87/926380387.db2.gz	ZJFHXQHRWYUIFT-UHFFFAOYSA-N	1	0	359.401	2.000	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1	ZINC000743895685	926496372	/nfs/dbraw/zinc/49/63/72/926496372.db2.gz	SBXCXWBDMOCQCK-AWEZNQCLSA-N	1	0	361.417	1.767	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1C#N	ZINC000743950737	926524717	/nfs/dbraw/zinc/52/47/17/926524717.db2.gz	YKXJUDXXZVIMDL-MRXNPFEDSA-N	1	0	370.453	1.565	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc3n(n2)CCC3)C1	ZINC001086369427	926865192	/nfs/dbraw/zinc/86/51/92/926865192.db2.gz	HCBRWDFWKZPHMX-RGCFKVTRSA-N	1	0	358.486	1.795	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)cc1	ZINC001086437041	927251927	/nfs/dbraw/zinc/25/19/27/927251927.db2.gz	IBJRMWPNUPRJFK-VYJAJWGXSA-N	1	0	369.465	1.594	20	30		FDEDRO
C=CCCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1	ZINC001098438780	927273101	/nfs/dbraw/zinc/27/31/01/927273101.db2.gz	DYEKDEVVRWDIHU-YTQUADARSA-N	1	0	366.502	1.289	20	30		FDEDRO
C#CCN(CC#CC)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1	ZINC000745805176	927424244	/nfs/dbraw/zinc/42/42/44/927424244.db2.gz	ZEZUOBQHGHWSIO-UHFFFAOYSA-N	1	0	353.466	1.811	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ncnn2C(C)(C)C)C1	ZINC001086481040	927517511	/nfs/dbraw/zinc/51/75/11/927517511.db2.gz	KZGBBPLUVKMUNL-FPCVCCKLSA-N	1	0	361.490	1.609	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)c2nnc(CC)[nH]2)C1	ZINC001086503596	927709868	/nfs/dbraw/zinc/70/98/68/927709868.db2.gz	BQQUAXLUQXLCOR-NPCUJANDSA-N	1	0	361.490	1.894	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)c1ccc(Cl)cc1	ZINC000746432211	927978540	/nfs/dbraw/zinc/97/85/40/927978540.db2.gz	KZEMUUDMIXFAHS-OAHLLOKOSA-N	1	0	374.832	1.418	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)C[NH2+]C2(C(N)=O)CCCC2)cc1	ZINC000746475466	928087184	/nfs/dbraw/zinc/08/71/84/928087184.db2.gz	LWLUASYESLBAPG-UHFFFAOYSA-N	1	0	358.442	1.720	20	30		FDEDRO
COC(OC)c1c(C#C[Si](C)(C)C)ccnc1-n1nc(CC[NH3+])nc1C	ZINC001168985846	928206397	/nfs/dbraw/zinc/20/63/97/928206397.db2.gz	QGBDFZXSSDMENO-UHFFFAOYSA-N	1	0	373.533	1.992	20	30		FDEDRO
C#CC(CC)(CC)[NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC001169160470	928325166	/nfs/dbraw/zinc/32/51/66/928325166.db2.gz	GJEFEEQSTMIRKU-HNNXBMFYSA-N	1	0	373.501	1.774	20	30		FDEDRO
C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@@H](C#N)C1	ZINC001169204896	928357297	/nfs/dbraw/zinc/35/72/97/928357297.db2.gz	DFJJVMDFZZYCOU-GJZGRUSLSA-N	1	0	372.473	1.228	20	30		FDEDRO
CN1C(=O)C(=C(N)NOCc2ccc(F)cc2C#N)C(=[NH2+])C12CCCC2	ZINC000103136080	928361164	/nfs/dbraw/zinc/36/11/64/928361164.db2.gz	HDSJKMWVIIUVSC-UHFFFAOYSA-N	1	0	357.389	1.484	20	30		FDEDRO
C=CCN1C(=O)CCC12CC[NH+]([C@H]1CC[C@@H](C(=O)OCC)OC1)CC2	ZINC001169386205	928527285	/nfs/dbraw/zinc/52/72/85/928527285.db2.gz	LJKLMKUWDGNOCR-HOTGVXAUSA-N	1	0	350.459	1.740	20	30		FDEDRO
COc1ccc(C(=NO)Nc2ncnc3sc4c(c32)CC[NH2+]C4)nc1	ZINC001169599769	928772122	/nfs/dbraw/zinc/77/21/22/928772122.db2.gz	HTDWGVSBCVQHMW-UHFFFAOYSA-N	1	0	356.411	1.989	20	30		FDEDRO
C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1C(=O)CNC1=O	ZINC001109605933	929929538	/nfs/dbraw/zinc/92/95/38/929929538.db2.gz	YHEWSWVIKXVFKH-IKGGRYGDSA-N	1	0	374.485	1.234	20	30		FDEDRO
C#CCOc1ccc(C[N@@H+]2CCN(c3nccn4cnnc34)[C@H](C)C2)cc1	ZINC000770279869	929942186	/nfs/dbraw/zinc/94/21/86/929942186.db2.gz	HZHVCNOQXDZYCZ-MRXNPFEDSA-N	1	0	362.437	1.847	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCN(CC(F)F)CC1)C2	ZINC001109644499	929996173	/nfs/dbraw/zinc/99/61/73/929996173.db2.gz	AKGGNGMZAVIPOX-IKGGRYGDSA-N	1	0	371.472	1.888	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)Cc1nn(C)c(=O)c2ccccc12	ZINC000770802305	930265287	/nfs/dbraw/zinc/26/52/87/930265287.db2.gz	GRZCVQWFUMOKHE-HNNXBMFYSA-N	1	0	355.438	1.753	20	30		FDEDRO
C#CC1([NH2+][C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)CC1	ZINC001170026456	930631067	/nfs/dbraw/zinc/63/10/67/930631067.db2.gz	NHTJXYLGVOMKOM-KGLIPLIRSA-N	1	0	365.499	1.653	20	30		FDEDRO
C#CC[NH2+]CC(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1	ZINC000746513484	930876007	/nfs/dbraw/zinc/87/60/07/930876007.db2.gz	JGGSHKNMROCNAP-UHFFFAOYSA-N	1	0	353.344	1.213	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2	ZINC001109961185	930890411	/nfs/dbraw/zinc/89/04/11/930890411.db2.gz	QWTHNMAFGZTODP-AABGKKOBSA-N	1	0	359.514	1.480	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CC(=O)N(C)C1=O)C2	ZINC001109971753	930949322	/nfs/dbraw/zinc/94/93/22/930949322.db2.gz	IMSFEEDQEPBHJZ-PMPSAXMXSA-N	1	0	362.474	1.348	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cnnn3)cc1)C2	ZINC001110073285	931382255	/nfs/dbraw/zinc/38/22/55/931382255.db2.gz	PGZKQPZRGYEENE-SQNIBIBYSA-N	1	0	352.442	1.964	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@]1(C)CCCS1(=O)=O)C2	ZINC001112543931	931415032	/nfs/dbraw/zinc/41/50/32/931415032.db2.gz	DWPYDVXGBGIZNO-SZMVWBNQSA-N	1	0	354.516	1.748	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1c(C)cc(C)nc1=O)C2	ZINC001112552317	931528728	/nfs/dbraw/zinc/52/87/28/931528728.db2.gz	RKAIGUVYSNPRKU-PXNSSMCTSA-N	1	0	358.486	1.655	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)OCc2ccc(C#N)cc2)CC1=O	ZINC000785658016	931553021	/nfs/dbraw/zinc/55/30/21/931553021.db2.gz	WVIILYPHJTUSEB-MSOLQXFVSA-N	1	0	355.438	1.934	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc(OC)n1)C2	ZINC001112555321	931555163	/nfs/dbraw/zinc/55/51/63/931555163.db2.gz	MASJDMGOSZBSOA-JXFKEZNVSA-N	1	0	357.454	1.572	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc3c([nH]c1=O)CCOC3)C2	ZINC001112561496	931589584	/nfs/dbraw/zinc/58/95/84/931589584.db2.gz	CMROVFSDPFILIF-YWZLYKJASA-N	1	0	357.454	1.878	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccn3c(=O)[nH]nc13)C2	ZINC001112562755	931595923	/nfs/dbraw/zinc/59/59/23/931595923.db2.gz	MRGPNVYBAGVIEG-LIRRHRJNSA-N	1	0	355.442	1.843	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)C1CCCC1)C2	ZINC001112560964	931605460	/nfs/dbraw/zinc/60/54/60/931605460.db2.gz	ZXVXCFJSDPXCNU-MMOPVJDHSA-N	1	0	359.514	1.780	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCC(=O)NCC)C2	ZINC001112565462	931613492	/nfs/dbraw/zinc/61/34/92/931613492.db2.gz	DEHFJUBDRWTDKS-PXNSSMCTSA-N	1	0	365.518	1.714	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@@H](C)C(=O)N(C)C)C2)nc1	ZINC001112565444	931613611	/nfs/dbraw/zinc/61/36/11/931613611.db2.gz	CBQUWGQQYKRCEM-WJPUGNRLSA-N	1	0	368.481	1.372	20	30		FDEDRO
C[C@@H](CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1)n1cccc1	ZINC001112565587	931613725	/nfs/dbraw/zinc/61/37/25/931613725.db2.gz	JEUNQOCIMOMVRS-ZWOKBUDYSA-N	1	0	371.485	1.297	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)c1ccccc1)C2	ZINC001112568387	931630103	/nfs/dbraw/zinc/63/01/03/931630103.db2.gz	NVIVQWXWNDDFOY-RXVVDRJESA-N	1	0	353.466	1.658	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC(=O)N1C)C2	ZINC001112571930	931651501	/nfs/dbraw/zinc/65/15/01/931651501.db2.gz	VLEZSPCSJORBND-DAYGRLMNSA-N	1	0	353.894	1.968	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1nc3nc(C)cc(C)n3n1)C2	ZINC001112573113	931673133	/nfs/dbraw/zinc/67/31/33/931673133.db2.gz	LJRADELUKGCPGR-JXFKEZNVSA-N	1	0	366.469	1.596	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(=O)n(CCCC)n1)C2	ZINC001112577070	931690190	/nfs/dbraw/zinc/69/01/90/931690190.db2.gz	YQOBPDCGFRIHBH-UWJYYQICSA-N	1	0	370.497	1.899	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c(C)n[nH]c1C)C2	ZINC001112577641	931693241	/nfs/dbraw/zinc/69/32/41/931693241.db2.gz	WJBHFGBYEXUEOE-PXNSSMCTSA-N	1	0	360.502	1.990	20	30		FDEDRO
CC[C@@H](C)C(=O)NCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#CCOC)C1	ZINC001112580424	931726837	/nfs/dbraw/zinc/72/68/37/931726837.db2.gz	MZESOOXNDXYMLG-UWVAXJGDSA-N	1	0	363.502	1.017	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CS(=O)(=O)CCC)C2	ZINC001112581282	931743131	/nfs/dbraw/zinc/74/31/31/931743131.db2.gz	HCHXQHYGLOGFCX-WMZOPIPTSA-N	1	0	356.532	1.996	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc(CNC(C)=O)c1)C2	ZINC001112581436	931743771	/nfs/dbraw/zinc/74/37/71/931743771.db2.gz	PRBDUWMVJOKNKZ-FPOVZHCZSA-N	1	0	353.466	1.788	20	30		FDEDRO
C[C@@H](OC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)N(C)CCC#N	ZINC000786096375	931747866	/nfs/dbraw/zinc/74/78/66/931747866.db2.gz	MNQBMVGLJIURHT-OAHLLOKOSA-N	1	0	351.447	1.325	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)c1ccccn1)C2	ZINC001112584591	931783291	/nfs/dbraw/zinc/78/32/91/931783291.db2.gz	ZMMSQIDZGYWXHP-JXFKEZNVSA-N	1	0	356.470	1.606	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1[C@H]3[C@@H]1[C@@H]1CC[C@H]3C1)C2	ZINC001112588463	931793427	/nfs/dbraw/zinc/79/34/27/931793427.db2.gz	ZULWZKJMGSXOPL-PHFWSSMWSA-N	1	0	370.497	1.137	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)c2nnc(C)[nH]2)C1	ZINC001112589027	931801285	/nfs/dbraw/zinc/80/12/85/931801285.db2.gz	HTVRDWQZJIPMNT-ALKREAHSSA-N	1	0	361.490	1.985	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(C)(C)C)C1	ZINC001112589205	931801749	/nfs/dbraw/zinc/80/17/49/931801749.db2.gz	PEJOYWADOOHPBF-GUXCAODWSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(C(N)=O)nc1)C2	ZINC001112590612	931840059	/nfs/dbraw/zinc/84/00/59/931840059.db2.gz	GRNQRBYSEOJVOY-KSSFIOAISA-N	1	0	362.861	1.765	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COC[C@@H]1CCCO1)C2	ZINC001112592985	931843182	/nfs/dbraw/zinc/84/31/82/931843182.db2.gz	RFXQSLXRUGULOA-BJLQDIEVSA-N	1	0	366.502	1.603	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)NCC(=O)c2ccccc2)CC1	ZINC000786293414	931862519	/nfs/dbraw/zinc/86/25/19/931862519.db2.gz	VTBQKJZCZCPOLL-HNNXBMFYSA-N	1	0	356.422	1.262	20	30		FDEDRO
C[NH+]1CCC(n2ccc(NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)n2)CC1	ZINC000786681535	931991921	/nfs/dbraw/zinc/99/19/21/931991921.db2.gz	AEORKCKKCZSMFP-MRXNPFEDSA-N	1	0	357.462	1.354	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[C@H]1CCCO1	ZINC000787907964	932460817	/nfs/dbraw/zinc/46/08/17/932460817.db2.gz	BQUXPGPLELPSIL-ZJPYXAASSA-N	1	0	363.502	1.158	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1	ZINC000788052504	932532569	/nfs/dbraw/zinc/53/25/69/932532569.db2.gz	QSMRLUUHGFEAEJ-ZDUSSCGKSA-N	1	0	370.413	1.313	20	30		FDEDRO
COc1ccc(CNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1C#N	ZINC000746728379	932572692	/nfs/dbraw/zinc/57/26/92/932572692.db2.gz	NTFXKMIYOOEABN-INIZCTEOSA-N	1	0	372.469	1.867	20	30		FDEDRO
C=CCOCCN1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1	ZINC001112862493	932644396	/nfs/dbraw/zinc/64/43/96/932644396.db2.gz	NBVXNLSWJSJSOD-MOPGFXCFSA-N	1	0	365.518	1.080	20	30		FDEDRO
COc1ccc(CNC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1C#N	ZINC000746771589	932859039	/nfs/dbraw/zinc/85/90/39/932859039.db2.gz	FCCQTHRSBUCEJA-KRWDZBQOSA-N	1	0	360.458	1.723	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H](CCC)CCCS(C)(=O)=O)CC1	ZINC000789961627	933269432	/nfs/dbraw/zinc/26/94/32/933269432.db2.gz	LFCHHSBOCJGNOS-MRXNPFEDSA-N	1	0	356.532	1.831	20	30		FDEDRO
CC(C)(C#N)CS(=O)(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1	ZINC000790045901	933309965	/nfs/dbraw/zinc/30/99/65/933309965.db2.gz	JHTBEBKIINTKAM-INIZCTEOSA-N	1	0	351.472	1.222	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)C1	ZINC001086590886	933711751	/nfs/dbraw/zinc/71/17/51/933711751.db2.gz	GEDNUESTUDZGOC-BPQIPLTHSA-N	1	0	367.449	1.131	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2CCOCC2=O)C1	ZINC001086592824	933839743	/nfs/dbraw/zinc/83/97/43/933839743.db2.gz	JRTLPJQBTPSHBB-ZWKOTPCHSA-N	1	0	357.454	1.006	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000791300119	933945934	/nfs/dbraw/zinc/94/59/34/933945934.db2.gz	HHGRCVAPFCDIKK-HXUWFJFHSA-N	1	0	361.486	1.651	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(C(N)=O)cn2C)C1	ZINC001086597629	933971632	/nfs/dbraw/zinc/97/16/32/933971632.db2.gz	QJGYICDBJZQYMW-DLBZAZTESA-N	1	0	352.438	1.508	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC2(CNc3cnc(C#N)cn3)CCCCC2)CC[N@@H+]1C	ZINC001114186198	938325413	/nfs/dbraw/zinc/32/54/13/938325413.db2.gz	INGFNRBALQJPFT-GDBMZVCRSA-N	1	0	356.474	1.919	20	30		FDEDRO
C=CCOCCN1C[C@@H](NC(=O)c2cccc(C)c2C)[C@@H](n2ccnn2)C1	ZINC001129412778	938408133	/nfs/dbraw/zinc/40/81/33/938408133.db2.gz	WVEUKZRNRXYVDK-MOPGFXCFSA-N	1	0	369.469	1.753	20	30		FDEDRO
C=C[C@H](CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1)c1ccccc1	ZINC001129454165	938421912	/nfs/dbraw/zinc/42/19/12/938421912.db2.gz	YOBNNBVVQONLKS-QRQLOZEOSA-N	1	0	369.469	1.362	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1	ZINC001086622786	938422413	/nfs/dbraw/zinc/42/24/13/938422413.db2.gz	RNGOYWBYCZRVJJ-PKOBYXMFSA-N	1	0	366.465	1.944	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)CCCn2cccn2)[C@@H](n2ccnn2)C1	ZINC001129437674	938424681	/nfs/dbraw/zinc/42/46/81/938424681.db2.gz	DKLIEHSQESYXME-SJORKVTESA-N	1	0	357.462	1.263	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cncnc2C(C)C)[C@@H](n2ccnn2)C1	ZINC001129438307	938425308	/nfs/dbraw/zinc/42/53/08/938425308.db2.gz	PYXJTIFHIWGAPX-SJORKVTESA-N	1	0	369.473	1.813	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)CC(C)C)C[C@@H]1n1ccnn1	ZINC001129476892	938432851	/nfs/dbraw/zinc/43/28/51/938432851.db2.gz	ULTJWONQKXSHQV-KURKYZTESA-N	1	0	363.506	1.895	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+](CCCOC)C[C@@H]2n2ccnn2)CCCC1	ZINC001129490319	938442006	/nfs/dbraw/zinc/44/20/06/938442006.db2.gz	BWEKKBPGPHZKFU-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
COCC(C)(C)[NH+]1CCN(C(=O)NCCNc2ccc(C#N)cn2)CC1	ZINC000822706068	945175237	/nfs/dbraw/zinc/17/52/37/945175237.db2.gz	KKCNYLRCFBTJKO-UHFFFAOYSA-N	1	0	360.462	1.117	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@@H]1n1ccnn1	ZINC001129559231	938461456	/nfs/dbraw/zinc/46/14/56/938461456.db2.gz	UBSDZUMRNIRKLX-CVEARBPZSA-N	1	0	371.445	1.175	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@@H]1n1ccnn1	ZINC001129603919	938462835	/nfs/dbraw/zinc/46/28/35/938462835.db2.gz	PSALEKQMVMUAPD-CVEARBPZSA-N	1	0	362.503	1.623	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@@H]1n1ccnn1)c1ccccc1	ZINC001129604109	938463211	/nfs/dbraw/zinc/46/32/11/938463211.db2.gz	XCHBJSLCIUADNU-OIISXLGYSA-N	1	0	370.482	1.638	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCn2cccn2)C[C@@H]1n1ccnn1	ZINC001129589389	938465707	/nfs/dbraw/zinc/46/57/07/938465707.db2.gz	HKRIKTYCLJRHAC-ZACQAIPSSA-N	1	0	357.462	1.261	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)nc2)[C@@H](n2ccnn2)C1	ZINC001129666755	938478330	/nfs/dbraw/zinc/47/83/30/938478330.db2.gz	HGTNKDQYBWVTRX-CVEARBPZSA-N	1	0	356.430	1.190	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2ncoc2C)C[C@@H]1n1ccnn1	ZINC001129652108	938482536	/nfs/dbraw/zinc/48/25/36/938482536.db2.gz	YGOLZMOXMLAVPI-CVEARBPZSA-N	1	0	358.446	1.976	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]([NH2+]CCc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129681033	938483989	/nfs/dbraw/zinc/48/39/89/938483989.db2.gz	JNMKUAYGLQOCHS-MSOLQXFVSA-N	1	0	355.442	1.065	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CC/C=C\CC)[C@@H](n2ccnn2)C1	ZINC001129675204	938490071	/nfs/dbraw/zinc/49/00/71/938490071.db2.gz	IYZSIEQFGJQPSK-VWWMXCSTSA-N	1	0	361.490	1.957	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H]([NH2+]CCCC(C)(C)C)[C@@H](n2ccnn2)C1	ZINC001129796024	938509216	/nfs/dbraw/zinc/50/92/16/938509216.db2.gz	YBWMEQJTDQZAAZ-GJYPPUQNSA-N	1	0	363.506	1.773	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC2OCCCO2)C[C@@H]1n1ccnn1	ZINC001129783180	938515043	/nfs/dbraw/zinc/51/50/43/938515043.db2.gz	VTAPDLMUPXKJFV-OAGGEKHMSA-N	1	0	363.462	1.127	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2ncc[nH]2)C[C@@H]1n1ccnn1	ZINC001129803242	938516864	/nfs/dbraw/zinc/51/68/64/938516864.db2.gz	BPFHPJJWUMFBRO-OAGGEKHMSA-N	1	0	357.462	1.330	20	30		FDEDRO
Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1n1ccnn1	ZINC001129822547	938522314	/nfs/dbraw/zinc/52/23/14/938522314.db2.gz	WUDAUNQKPCKQMO-MSOLQXFVSA-N	1	0	366.469	1.573	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CC2=CCCCC2)[C@@H](n2ccnn2)C1	ZINC001129829518	938523710	/nfs/dbraw/zinc/52/37/10/938523710.db2.gz	JRODOBNRHKOIPX-JQHSSLGASA-N	1	0	357.458	1.158	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCN2C(C)=O)C1	ZINC001086625754	938534675	/nfs/dbraw/zinc/53/46/75/938534675.db2.gz	WZPPIHMZRFOGNO-XUVXKRRUSA-N	1	0	353.466	1.605	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H]([NH2+]CCC2CC2)[C@@H](n2ccnn2)C1)OCC	ZINC001129878809	938536237	/nfs/dbraw/zinc/53/62/37/938536237.db2.gz	GTUSBAPHWFAGMQ-FGTMMUONSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)COCc2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001129887565	938540079	/nfs/dbraw/zinc/54/00/79/938540079.db2.gz	FLTMZJHKSXZHJW-MSOLQXFVSA-N	1	0	355.442	1.331	20	30		FDEDRO
C[N@@H+]1CCN(c2ccc(S(N)(=O)=O)cc2C#N)C[C@@H]1Cc1ccccc1	ZINC000804719814	938541239	/nfs/dbraw/zinc/54/12/39/938541239.db2.gz	IPBJQUNSCZVRTC-KRWDZBQOSA-N	1	0	370.478	1.569	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(Cl)n[nH]c2CC)C[C@@H]1n1ccnn1	ZINC001129890522	938541483	/nfs/dbraw/zinc/54/14/83/938541483.db2.gz	MJVHOLHURJHCHQ-OLZOCXBDSA-N	1	0	363.853	1.448	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3nccn32)C[C@@H]1n1ccnn1	ZINC001129892075	938542632	/nfs/dbraw/zinc/54/26/32/938542632.db2.gz	GCSBFLBTVPGBHT-IKGGRYGDSA-N	1	0	369.473	1.360	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccnn2[C@H](C)CC)C[C@@H]1n1ccnn1	ZINC001129876390	938546784	/nfs/dbraw/zinc/54/67/84/938546784.db2.gz	OIDNVOOPZFVIPX-INMHGKMJSA-N	1	0	355.446	1.124	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccn(CC(C)C)n2)C[C@@H]1n1ccnn1	ZINC001129876681	938546951	/nfs/dbraw/zinc/54/69/51/938546951.db2.gz	WAQQUEYBLWYDNF-MSOLQXFVSA-N	1	0	371.489	1.752	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)C2CC2)C[C@@H]1n1ccnn1	ZINC001129934003	938562964	/nfs/dbraw/zinc/56/29/64/938562964.db2.gz	JYFLYLLEOOKDCF-HSALFYBXSA-N	1	0	363.465	1.837	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3ncccc3o2)C[C@@H]1n1ccnn1	ZINC001129936835	938564272	/nfs/dbraw/zinc/56/42/72/938564272.db2.gz	SNPYUVVCUSKSOT-CABCVRRESA-N	1	0	350.382	1.098	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C[C@@H]1n1ccnn1	ZINC001129943078	938564409	/nfs/dbraw/zinc/56/44/09/938564409.db2.gz	MAVFZJKMMAHVNH-BDXSIMOUSA-N	1	0	359.474	1.401	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccnnc2C)C[C@@H]1n1ccnn1	ZINC001129923750	938569682	/nfs/dbraw/zinc/56/96/82/938569682.db2.gz	UKULNMJTDJUPCF-XKQJLSEDSA-N	1	0	355.446	1.387	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(c3ccccc3)CCC2)C[C@@H]1n1ccnn1	ZINC001129927080	938571411	/nfs/dbraw/zinc/57/14/11/938571411.db2.gz	MEGKVEJYOFQUDS-MOPGFXCFSA-N	1	0	363.465	1.765	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(-c3ccco3)o2)C[C@@H]1n1ccnn1	ZINC001129928684	938571976	/nfs/dbraw/zinc/57/19/76/938571976.db2.gz	GIRWCHVUAWCNLC-CABCVRRESA-N	1	0	365.393	1.810	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2cncc(C)c2)C[C@@H]1n1ccnn1	ZINC001129928992	938572550	/nfs/dbraw/zinc/57/25/50/938572550.db2.gz	YYTQWWDRTBADBI-MSOLQXFVSA-N	1	0	354.458	1.532	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](OCC)C2CCCC2)C[C@@H]1n1ccnn1	ZINC001129954395	938576345	/nfs/dbraw/zinc/57/63/45/938576345.db2.gz	LKDCWZILKYJMAI-FGTMMUONSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]([NH2+]CCC[C@@H]2CCOC2)[C@@H](n2ccnn2)C1	ZINC001129959242	938577937	/nfs/dbraw/zinc/57/79/37/938577937.db2.gz	NZSWPZWJNJOCDZ-ZACQAIPSSA-N	1	0	361.490	1.649	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC=CCC2)C[C@@H]1n1ccnn1	ZINC001129959489	938578401	/nfs/dbraw/zinc/57/84/01/938578401.db2.gz	ZSEPEKIABBXTDA-KURKYZTESA-N	1	0	359.474	1.569	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(CC)nnc2C)C[C@@H]1n1ccnn1	ZINC001129943266	938580050	/nfs/dbraw/zinc/58/00/50/938580050.db2.gz	VMBRNFMKINEFNB-SJORKVTESA-N	1	0	355.446	1.170	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2CC3(CCC3)C2)C[C@@H]1n1ccnn1	ZINC001129972554	938591296	/nfs/dbraw/zinc/59/12/96/938591296.db2.gz	AYHRDIFUBOXFHS-SJORKVTESA-N	1	0	359.474	1.403	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C2CCC(OC)CC2)C[C@@H]1n1ccnn1	ZINC001129982253	938596880	/nfs/dbraw/zinc/59/68/80/938596880.db2.gz	AMBJHTQYFDINRF-HIEASXQVSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(F)c(F)cc2F)C[C@@H]1n1ccnn1	ZINC001129983381	938598416	/nfs/dbraw/zinc/59/84/16/938598416.db2.gz	ZTCDAIDNHVUVLC-CVEARBPZSA-N	1	0	365.359	1.927	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(C(F)F)CCCC2)C[C@@H]1n1ccnn1	ZINC001129976658	938601027	/nfs/dbraw/zinc/60/10/27/938601027.db2.gz	UPDUHRFVKXMNDH-KGLIPLIRSA-N	1	0	351.401	1.468	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n3ccnn3)C2)c1	ZINC001129997340	938605639	/nfs/dbraw/zinc/60/56/39/938605639.db2.gz	JABZXWUHRGZANB-JNXQLMTMSA-N	1	0	356.817	1.062	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2OCC[C@H]2C)C[C@@H]1n1ccnn1	ZINC001130015179	938616653	/nfs/dbraw/zinc/61/66/53/938616653.db2.gz	MERXQWPBDMDENL-BDXSIMOUSA-N	1	0	361.490	1.791	20	30		FDEDRO
O=C([C@H]1CC12CC2)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001130017389	938617709	/nfs/dbraw/zinc/61/77/09/938617709.db2.gz	GCKSXZJVRXKPQI-QRVBRYPASA-N	1	0	361.449	1.471	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3ccccc3C2)C[C@@H]1n1ccnn1	ZINC001130020514	938619172	/nfs/dbraw/zinc/61/91/72/938619172.db2.gz	KNYBXNWEEIITRD-AQNXPRMDSA-N	1	0	363.465	1.448	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OCC)c(C)c2)C[C@@H]1n1ccnn1	ZINC001130026152	938629176	/nfs/dbraw/zinc/62/91/76/938629176.db2.gz	DAWBSIVRUFLKPT-MSOLQXFVSA-N	1	0	367.453	1.664	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2nc(C)oc2C)C[C@@H]1n1ccnn1	ZINC001130054775	938640012	/nfs/dbraw/zinc/64/00/12/938640012.db2.gz	ORGOFGCKEVAWQU-WQVCFCJDSA-N	1	0	358.446	1.893	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc3c2ccn3C)C[C@@H]1n1ccnn1	ZINC001130043966	938642925	/nfs/dbraw/zinc/64/29/25/938642925.db2.gz	JEHCOQXLCVFIME-MJGOQNOKSA-N	1	0	362.437	1.448	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)nn2C)C[C@@H]1n1ccnn1	ZINC001130066990	938655519	/nfs/dbraw/zinc/65/55/19/938655519.db2.gz	QZQNYSCSXMVAOS-AEFFLSMTSA-N	1	0	371.489	1.757	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc3ccn(C)c3c2)C[C@@H]1n1ccnn1	ZINC001130070608	938657584	/nfs/dbraw/zinc/65/75/84/938657584.db2.gz	ARGMJXBESCWDHO-MJGOQNOKSA-N	1	0	362.437	1.448	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2(F)CCCCC2)C[C@@H]1n1ccnn1	ZINC001130071372	938658239	/nfs/dbraw/zinc/65/82/39/938658239.db2.gz	SBRDZBGKFXVPIB-CVEARBPZSA-N	1	0	365.453	1.495	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ncoc2C2CC2)C[C@@H]1n1ccnn1	ZINC001130075122	938669234	/nfs/dbraw/zinc/66/92/34/938669234.db2.gz	MIWXHLAXHKTINI-CABCVRRESA-N	1	0	356.430	1.765	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)CC(F)(F)F)C[C@@H]1n1ccnn1	ZINC001130088881	938675205	/nfs/dbraw/zinc/67/52/05/938675205.db2.gz	NCXUTQREZPCWRF-MJBXVCDLSA-N	1	0	357.380	1.622	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCCOCCOCC)C[C@@H]1n1ccnn1	ZINC001130089017	938675613	/nfs/dbraw/zinc/67/56/13/938675613.db2.gz	UTRDHMHRFOAODP-SJORKVTESA-N	1	0	365.478	1.029	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130094153	938679181	/nfs/dbraw/zinc/67/91/81/938679181.db2.gz	DLBJHLXEBDGGOG-QRQLOZEOSA-N	1	0	367.453	1.073	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CC(C)(C)CO2)C[C@@H]1n1ccnn1	ZINC001130102064	938682776	/nfs/dbraw/zinc/68/27/76/938682776.db2.gz	FJWZLFANRSTCJL-ZACQAIPSSA-N	1	0	361.490	1.791	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CC(C)(C)C(F)(F)F)C[C@@H]1n1ccnn1	ZINC001130109597	938688447	/nfs/dbraw/zinc/68/84/47/938688447.db2.gz	CHYWUDNALPXYDQ-OLZOCXBDSA-N	1	0	357.380	1.622	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cn3ccccc3n2)C[C@@H]1n1ccnn1	ZINC001130112722	938692607	/nfs/dbraw/zinc/69/26/07/938692607.db2.gz	NXKWBWPPHXEBBD-WBVHZDCISA-N	1	0	365.441	1.547	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](OCC)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130148157	938707206	/nfs/dbraw/zinc/70/72/06/938707206.db2.gz	IGMFUDFNUKVULJ-SQNIBIBYSA-N	1	0	353.426	1.031	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1n1ccnn1	ZINC001130140358	938712357	/nfs/dbraw/zinc/71/23/57/938712357.db2.gz	WYWNUVOEASKOKZ-CVEARBPZSA-N	1	0	366.897	1.248	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001130143228	938714551	/nfs/dbraw/zinc/71/45/51/938714551.db2.gz	PHKQTPRTLQKXDQ-RLLQIKCJSA-N	1	0	365.481	1.830	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CCOCCCC)[C@@H](n2ccnn2)C1	ZINC001130151498	938715944	/nfs/dbraw/zinc/71/59/44/938715944.db2.gz	UCOVXOGIUAZEBJ-BBWFWOEESA-N	1	0	365.478	1.027	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CC2=CCCCC2)[C@@H](n2ccnn2)C1	ZINC001130151376	938715972	/nfs/dbraw/zinc/71/59/72/938715972.db2.gz	OLUMNOOXVGLOCQ-JQHSSLGASA-N	1	0	359.474	1.711	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)CCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130153395	938717171	/nfs/dbraw/zinc/71/71/71/938717171.db2.gz	OHNZZKVQEMHEKH-RLLQIKCJSA-N	1	0	365.481	1.912	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC(F)(F)F)[nH]1	ZINC001130190850	938736157	/nfs/dbraw/zinc/73/61/57/938736157.db2.gz	PXQOEZWPNPNNIP-QWRGUYRKSA-N	1	0	361.368	1.412	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)COC(C)C)[nH]1	ZINC001130190774	938736173	/nfs/dbraw/zinc/73/61/73/938736173.db2.gz	NLRIOPRIJKBSLJ-GJZGRUSLSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C)n2C)[nH]1	ZINC001130182992	938742188	/nfs/dbraw/zinc/74/21/88/938742188.db2.gz	KCGYFTUKEGBQMM-ZFWWWQNUSA-N	1	0	358.446	1.030	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC2(F)F)[nH]1	ZINC001130207964	938747304	/nfs/dbraw/zinc/74/73/04/938747304.db2.gz	YGRBRDDILUWHLE-AVGNSLFASA-N	1	0	369.416	1.504	20	30		FDEDRO
CC(C)C#CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC[C@@H](C)F)[nH]1	ZINC001130212862	938750047	/nfs/dbraw/zinc/75/00/47/938750047.db2.gz	HWHLMWXYTHRELJ-ILXRZTDVSA-N	1	0	365.453	1.291	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@]2(C)CC=CCC2)n1	ZINC001130213272	938750221	/nfs/dbraw/zinc/75/02/21/938750221.db2.gz	XDCCWDHDEYCPIG-YZVOILCLSA-N	1	0	357.458	1.263	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC(C)(C)CC)[nH]1	ZINC001130213125	938750446	/nfs/dbraw/zinc/75/04/46/938750446.db2.gz	VBUPJHXAUSFGTB-GJZGRUSLSA-N	1	0	361.490	1.733	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)C2CCC2)[nH]1	ZINC001130221056	938756531	/nfs/dbraw/zinc/75/65/31/938756531.db2.gz	RGIPQAAJSCTBDP-BPUTZDHNSA-N	1	0	359.474	1.343	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@](C)(F)CCCC)n1	ZINC001130223098	938757072	/nfs/dbraw/zinc/75/70/72/938757072.db2.gz	LIWYUWJYRDJBHD-SUNYJGFJSA-N	1	0	365.453	1.435	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)n1	ZINC001130222788	938757222	/nfs/dbraw/zinc/75/72/22/938757222.db2.gz	GBARNFXJNPEZNA-JJXSEGSLSA-N	1	0	373.501	1.589	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCOC)[nH]1	ZINC001130225074	938759329	/nfs/dbraw/zinc/75/93/29/938759329.db2.gz	RCHOGOMLBSMMMW-KBPBESRZSA-N	1	0	365.478	1.132	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](F)C(C)C)[nH]1	ZINC001130227497	938761358	/nfs/dbraw/zinc/76/13/58/938761358.db2.gz	AZRFQBLXBKJDSE-OFQRWUPVSA-N	1	0	367.469	1.843	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCC2CC2)[nH]1	ZINC001130230163	938763578	/nfs/dbraw/zinc/76/35/78/938763578.db2.gz	PDZYJHYZNWHPTA-HOTGVXAUSA-N	1	0	359.474	1.487	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2c2ccco2)[nH]1	ZINC001130240330	938767519	/nfs/dbraw/zinc/76/75/19/938767519.db2.gz	OCUJRXQNXQNVEP-NHIYQJMISA-N	1	0	371.441	1.466	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2ccccc2C)n1	ZINC001130249132	938773208	/nfs/dbraw/zinc/77/32/08/938773208.db2.gz	LEXLZXDFIMHGOX-IRXDYDNUSA-N	1	0	367.453	1.067	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CO[C@@H](C)CC)CC1	ZINC001130282617	938779963	/nfs/dbraw/zinc/77/99/63/938779963.db2.gz	XXTSRCDBWBUKNM-VPWXQRGCSA-N	1	0	363.502	1.300	20	30		FDEDRO
C=CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COCCC)CC1	ZINC001130276828	938787830	/nfs/dbraw/zinc/78/78/30/938787830.db2.gz	RDFUWYJTNMHFKF-XLIONFOSSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC[C@@H](C)F)CC1	ZINC001130279114	938789308	/nfs/dbraw/zinc/78/93/08/938789308.db2.gz	RVWFRKUASRRROE-OGWOLHLISA-N	1	0	369.481	1.413	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCF)CC1	ZINC001130288412	938793108	/nfs/dbraw/zinc/79/31/08/938793108.db2.gz	ODNFRKWWXVVIOZ-AYOQOUSVSA-N	1	0	369.481	1.149	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC(C)(C)C2CC2)CC1	ZINC001130288671	938793392	/nfs/dbraw/zinc/79/33/92/938793392.db2.gz	VPMLDCWNWLEVAQ-XLIONFOSSA-N	1	0	359.514	1.921	20	30		FDEDRO
CC(C)CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C#CC2CC2)CC1	ZINC001130290618	938795042	/nfs/dbraw/zinc/79/50/42/938795042.db2.gz	HKMNRSWTSMPPSA-NQIIRXRSSA-N	1	0	359.514	1.921	20	30		FDEDRO
C=CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2ncc[nH]2)CC1	ZINC001130290660	938795430	/nfs/dbraw/zinc/79/54/30/938795430.db2.gz	JSNQLHXGLXJUFF-WBVHZDCISA-N	1	0	359.474	1.465	20	30		FDEDRO
C=CCOCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](F)CC)CC1	ZINC001130295885	938798381	/nfs/dbraw/zinc/79/83/81/938798381.db2.gz	WUESKNYNGIIYNE-JZXOWHBKSA-N	1	0	369.481	1.413	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1	ZINC001130295898	938798445	/nfs/dbraw/zinc/79/84/45/938798445.db2.gz	XDMMWBQHLRXQMJ-LESCRADOSA-N	1	0	351.491	1.056	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCOC)CC1	ZINC001130299161	938799496	/nfs/dbraw/zinc/79/94/96/938799496.db2.gz	ZPLWRIHSLOIRTQ-KPFFTGBYSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2cnon2)CC1	ZINC001130304955	938803010	/nfs/dbraw/zinc/80/30/10/938803010.db2.gz	GMUFXKIMVUBANJ-PBHICJAKSA-N	1	0	361.446	1.125	20	30		FDEDRO
COCC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(C)(C)C)CC1	ZINC001130306868	938804530	/nfs/dbraw/zinc/80/45/30/938804530.db2.gz	BKQXVBXZDKHSEX-AEFFLSMTSA-N	1	0	363.502	1.158	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1CCNC(=O)OC(C)(C)C	ZINC000805765019	938827137	/nfs/dbraw/zinc/82/71/37/938827137.db2.gz	NIBHYJKNCAJMER-CQSZACIVSA-N	1	0	368.478	1.768	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccncc1	ZINC000805809996	938830896	/nfs/dbraw/zinc/83/08/96/938830896.db2.gz	BEFBQRSLXCPEAR-AEFFLSMTSA-N	1	0	374.485	1.432	20	30		FDEDRO
N#CCOc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C3=COCCO3)C2)cc1	ZINC001086635541	938841071	/nfs/dbraw/zinc/84/10/71/938841071.db2.gz	UALGXMRKMYWBSS-DLBZAZTESA-N	1	0	371.437	1.852	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1	ZINC001130427255	938845051	/nfs/dbraw/zinc/84/50/51/938845051.db2.gz	MQVHTKUTOFVFOM-HPBDAGMYSA-N	1	0	372.469	1.033	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(=O)[nH]n3)C2)s1	ZINC001086635690	938845770	/nfs/dbraw/zinc/84/57/70/938845770.db2.gz	AUOUMMALLIRUIS-NWDGAFQWSA-N	1	0	357.439	1.804	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)nc2)C[C@H]1c1cn(C)cn1	ZINC001130500390	938884002	/nfs/dbraw/zinc/88/40/02/938884002.db2.gz	GXONNXGASQKPQG-PKOBYXMFSA-N	1	0	369.469	1.524	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C)SC)C[C@H]1c1cn(C)cn1	ZINC001130502559	938885525	/nfs/dbraw/zinc/88/55/25/938885525.db2.gz	SEQFJQWIPNHIME-OFQRWUPVSA-N	1	0	352.504	1.258	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CCCC(C)=O)C[C@H]1c1cn(C)cn1	ZINC001130506059	938887372	/nfs/dbraw/zinc/88/73/72/938887372.db2.gz	UUJQRDZYPYUQAF-FUHWJXTLSA-N	1	0	362.474	1.266	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)C(C)C)C[C@H]1c1cn(C)cn1	ZINC001130527709	938899677	/nfs/dbraw/zinc/89/96/77/938899677.db2.gz	HNQMJSCEPLYDEH-JENIJYKNSA-N	1	0	360.502	1.636	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cc(C)no2)C1	ZINC001130578054	939876372	/nfs/dbraw/zinc/87/63/72/939876372.db2.gz	BKLZJYIDCLRWDT-FUHWJXTLSA-N	1	0	355.442	1.604	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130575950	939878820	/nfs/dbraw/zinc/87/88/20/939878820.db2.gz	CCAPAYADKLEKNC-OFQRWUPVSA-N	1	0	357.462	1.101	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC[C@@H]2CCCO2)C1	ZINC001130583809	939884355	/nfs/dbraw/zinc/88/43/55/939884355.db2.gz	SDPCIBMKKHJOMV-JENIJYKNSA-N	1	0	358.486	1.533	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@H](F)CC)C1	ZINC001130587727	939888851	/nfs/dbraw/zinc/88/88/51/939888851.db2.gz	YKDWORCXBMWATC-HLLBOEOZSA-N	1	0	350.438	1.092	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C/C=C/Cl)C1	ZINC001130592834	939899405	/nfs/dbraw/zinc/89/94/05/939899405.db2.gz	HJKXUUOBWQCUCM-CQPIPWFBSA-N	1	0	350.850	1.097	20	30		FDEDRO
C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1c1cn(C)cn1	ZINC001130594614	939901725	/nfs/dbraw/zinc/90/17/25/939901725.db2.gz	RMXNSWUQSQFEHZ-SOLBZPMBSA-N	1	0	360.502	1.515	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(OC)ncn2)C[C@H]1c1cn(C)cn1	ZINC001130596441	939903349	/nfs/dbraw/zinc/90/33/49/939903349.db2.gz	AWBOBXKZHGRKSM-WMLDXEAASA-N	1	0	370.457	1.383	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C[C@H]1c1cn(C)cn1	ZINC001130596665	939903610	/nfs/dbraw/zinc/90/36/10/939903610.db2.gz	ORHULCPMBQOXQN-IHEQNBGGSA-N	1	0	352.482	1.930	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(Cl)cnn2C)C[C@H]1c1cn(C)cn1	ZINC001130597004	939904022	/nfs/dbraw/zinc/90/40/22/939904022.db2.gz	XQLYGPHERJALNH-SWLSCSKDSA-N	1	0	360.849	1.028	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cn2ccc(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130599392	939904970	/nfs/dbraw/zinc/90/49/70/939904970.db2.gz	RACONVUNKWLMNR-HHXXYDBFSA-N	1	0	368.485	1.169	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3c([nH]2)CCOC3)C[C@H]1c1cn(C)cn1	ZINC001130610289	939907483	/nfs/dbraw/zinc/90/74/83/939907483.db2.gz	GQOPWGJXXFNYHD-HNAYVOBHSA-N	1	0	367.453	1.042	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@H]1c1cn(C)cn1	ZINC001130611631	939909484	/nfs/dbraw/zinc/90/94/84/939909484.db2.gz	CPOPIYXOZWNEDA-OAFZBRQQSA-N	1	0	368.485	1.797	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2(C3CC3)CC2)C[C@H]1c1cn(C)cn1	ZINC001130611907	939909637	/nfs/dbraw/zinc/90/96/37/939909637.db2.gz	KURFRQCWMKAEON-FUHWJXTLSA-N	1	0	358.486	1.697	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2ccncc2)C[C@H]1c1cn(C)cn1	ZINC001130615263	939912856	/nfs/dbraw/zinc/91/28/56/939912856.db2.gz	NXYVEHQOIGVMRG-IMFGXOCKSA-N	1	0	365.481	1.916	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ncc(OC)cc2F)C[C@H]1c1cn(C)cn1	ZINC001130604477	939915675	/nfs/dbraw/zinc/91/56/75/939915675.db2.gz	BSSQUOKUABHKOD-WMLDXEAASA-N	1	0	371.416	1.184	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccn3c2CCCC3)C[C@H]1c1cn(C)cn1	ZINC001130607515	939918921	/nfs/dbraw/zinc/91/89/21/939918921.db2.gz	FRSPPSVELCGIHZ-PKOBYXMFSA-N	1	0	365.481	1.779	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cn2cncc2C)C[C@H]1c1cn(C)cn1	ZINC001130627177	939924624	/nfs/dbraw/zinc/92/46/24/939924624.db2.gz	YOMWCVFVQBWRDX-FUHWJXTLSA-N	1	0	356.474	1.475	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCOC[C@@H]2CCCO2)C[C@H]1c1cn(C)cn1	ZINC001130621973	939931559	/nfs/dbraw/zinc/93/15/59/939931559.db2.gz	JXUYLGCCKRESLJ-XYJFISCASA-N	1	0	362.474	1.076	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2CCC)C[C@H]1c1cn(C)cn1	ZINC001130621928	939931575	/nfs/dbraw/zinc/93/15/75/939931575.db2.gz	HEVWOMDDYJIQIE-FUHWJXTLSA-N	1	0	370.501	1.880	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3ncccc3o2)C[C@H]1c1cn(C)cn1	ZINC001130632629	939936021	/nfs/dbraw/zinc/93/60/21/939936021.db2.gz	KARIABUBDSXYDE-WMLDXEAASA-N	1	0	363.421	1.782	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2occ3c2CCOC3)C[C@H]1c1cn(C)cn1	ZINC001130632927	939936519	/nfs/dbraw/zinc/93/65/19/939936519.db2.gz	WPMFYQVPKKGJSI-FUHWJXTLSA-N	1	0	368.437	1.307	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)COCC(F)F)C[C@H]1c1cn(C)cn1	ZINC001130637647	939939473	/nfs/dbraw/zinc/93/94/73/939939473.db2.gz	DVTKULYIDBDSEX-DZGCQCFKSA-N	1	0	356.417	1.552	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2ccnc(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130637875	939939875	/nfs/dbraw/zinc/93/98/75/939939875.db2.gz	PWFQZEFVTDHXJW-PKOBYXMFSA-N	1	0	366.469	1.059	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c(C)cnn2C)C[C@H]1c1cn(C)cn1	ZINC001130639546	939941448	/nfs/dbraw/zinc/94/14/48/939941448.db2.gz	JDZAHOZHLRYJAV-DOTOQJQBSA-N	1	0	356.474	1.626	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1c1cn(C)cn1	ZINC001130649921	939944993	/nfs/dbraw/zinc/94/49/93/939944993.db2.gz	ZLOLWEZYEMLNKD-GYYKNPCSSA-N	1	0	358.486	1.551	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)C(F)(F)F)C[C@H]1c1cn(C)cn1	ZINC001130659412	939965578	/nfs/dbraw/zinc/96/55/78/939965578.db2.gz	LHYHHZROASXQMU-VNHYZAJKSA-N	1	0	356.392	1.916	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1c1cn(C)cn1	ZINC001130680177	939968762	/nfs/dbraw/zinc/96/87/62/939968762.db2.gz	DUKUHUUCIBTRJP-QILLFSRXSA-N	1	0	354.458	1.763	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)n[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130680615	939969021	/nfs/dbraw/zinc/96/90/21/939969021.db2.gz	ZVIKPZXKKAKUTP-KBXCAEBGSA-N	1	0	354.458	1.488	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCC[C@H](C)O)C2)C1	ZINC001130667389	939969384	/nfs/dbraw/zinc/96/93/84/939969384.db2.gz	YRWMSHHHUPPRKT-XYJFISCASA-N	1	0	360.502	1.821	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cccc(=O)n2C)C[C@H]1c1cn(C)cn1	ZINC001130670316	939970299	/nfs/dbraw/zinc/97/02/99/939970299.db2.gz	XFVWWUNWAGZWOI-DOTOQJQBSA-N	1	0	369.469	1.283	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]C/C=C/Cl)C2)c1	ZINC001130672491	939971477	/nfs/dbraw/zinc/97/14/77/939971477.db2.gz	QIXAHLJRISYARM-HRMTXBTBSA-N	1	0	369.856	1.747	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccn(C(C)C)n2)C[C@H]1c1cn(C)cn1	ZINC001130685196	939975041	/nfs/dbraw/zinc/97/50/41/939975041.db2.gz	IJSRSVONJAYMOX-MAUKXSAKSA-N	1	0	354.458	1.419	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cn(CC=C)nn2)C[C@H]1c1cn(C)cn1	ZINC001130687812	939977874	/nfs/dbraw/zinc/97/78/74/939977874.db2.gz	ROCGUVRRUFHVLB-DOTOQJQBSA-N	1	0	369.473	1.362	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)no2)C[C@H]1c1cn(C)cn1	ZINC001130687815	939977912	/nfs/dbraw/zinc/97/79/12/939977912.db2.gz	RTPJSFPJPWRWOQ-WMLDXEAASA-N	1	0	355.442	1.753	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3ccccn3c2)C[C@H]1c1cn(C)cn1	ZINC001130687943	939978097	/nfs/dbraw/zinc/97/80/97/939978097.db2.gz	XUQPDJQEMYJNRB-AZUAARDMSA-N	1	0	361.449	1.894	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCO[C@H]2C(=C)C)C[C@H]1c1cn(C)cn1	ZINC001130690055	939979886	/nfs/dbraw/zinc/97/98/86/939979886.db2.gz	UXTNKTWECVUCBL-DKKFBQAASA-N	1	0	358.486	1.861	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccn3ccnc23)C[C@H]1c1cn(C)cn1	ZINC001130692601	939981311	/nfs/dbraw/zinc/98/13/11/939981311.db2.gz	SUPGZLLLAQPGAA-FUHWJXTLSA-N	1	0	364.453	1.842	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccn3ccnc23)C[C@H]1c1cn(C)cn1	ZINC001130692612	939981322	/nfs/dbraw/zinc/98/13/22/939981322.db2.gz	UBSKBDXHHTURPB-FUHWJXTLSA-N	1	0	362.437	1.289	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2ccnc2)C[C@H]1c1cn(C)cn1	ZINC001130683146	939983042	/nfs/dbraw/zinc/98/30/42/939983042.db2.gz	ZGPQGHBUKXRYCH-XYJFISCASA-N	1	0	354.458	1.175	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cn(CC)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130682994	939983048	/nfs/dbraw/zinc/98/30/48/939983048.db2.gz	SMNUQJMYDHGCHD-FUHWJXTLSA-N	1	0	354.458	1.166	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2cnn(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130700885	939996043	/nfs/dbraw/zinc/99/60/43/939996043.db2.gz	HZMTVEXULGSYCU-VDZJLULYSA-N	1	0	370.501	1.493	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@H]1c1cn(C)cn1	ZINC001130717638	940003117	/nfs/dbraw/zinc/00/31/17/940003117.db2.gz	NPBAQKKDAHQUJW-GXTWGEPZSA-N	1	0	356.392	1.916	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cccnc2)C[C@H]1c1cn(C)cn1	ZINC001130714785	940006687	/nfs/dbraw/zinc/00/66/87/940006687.db2.gz	JPGFSOYPDGVJQD-HHXXYDBFSA-N	1	0	351.454	1.526	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+][C@H](C)COC)C2)nc1	ZINC001130715308	940007750	/nfs/dbraw/zinc/00/77/50/940007750.db2.gz	XGUDULPIMOCSGQ-SIXWZSSISA-N	1	0	367.453	1.029	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2ccccn2)C[C@H]1c1cn(C)cn1	ZINC001130715433	940008007	/nfs/dbraw/zinc/00/80/07/940008007.db2.gz	ZKLYLECZKJYRBP-XYJFISCASA-N	1	0	367.453	1.190	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cccn2)C[C@H]1c1cn(C)cn1	ZINC001130708443	940014636	/nfs/dbraw/zinc/01/46/36/940014636.db2.gz	QDAWVSQIKYVOMC-SOLBZPMBSA-N	1	0	356.474	1.728	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)COc2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130728643	940017096	/nfs/dbraw/zinc/01/70/96/940017096.db2.gz	IZYLBAZABMYGEY-IMFGXOCKSA-N	1	0	366.465	1.652	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1c1cn(C)cn1	ZINC001130729088	940017823	/nfs/dbraw/zinc/01/78/23/940017823.db2.gz	UQSMCJCMBLVXAC-WMLDXEAASA-N	1	0	370.457	1.011	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCCCNC(C)=O)C[C@H]1c1cn(C)cn1	ZINC001130723807	940028788	/nfs/dbraw/zinc/02/87/88/940028788.db2.gz	ZJPMIEMXSWNQRN-FUHWJXTLSA-N	1	0	361.490	1.187	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CNC(=O)C(C)(C)C)C[C@H]1c1cn(C)cn1	ZINC001130725755	940030493	/nfs/dbraw/zinc/03/04/93/940030493.db2.gz	CTNQULITVOYTEK-GOEBONIOSA-N	1	0	361.490	1.043	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccnc2N(C)C)C[C@H]1c1cn(C)cn1	ZINC001130726166	940030736	/nfs/dbraw/zinc/03/07/36/940030736.db2.gz	NWRBMEKGKYANFI-FUHWJXTLSA-N	1	0	366.469	1.102	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(C)nc2)C[C@H]1c1cn(C)cn1	ZINC001130726187	940030965	/nfs/dbraw/zinc/03/09/65/940030965.db2.gz	PLUSQYSGYWQBCK-PKOBYXMFSA-N	1	0	351.454	1.274	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130734640	940035136	/nfs/dbraw/zinc/03/51/36/940035136.db2.gz	XHRNLDDDIBCAMH-HHXXYDBFSA-N	1	0	360.502	1.943	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)n2nc(C)cc2C)C[C@H]1c1cn(C)cn1	ZINC001130737225	940038746	/nfs/dbraw/zinc/03/87/46/940038746.db2.gz	YKARMYCCYUFGIM-JENIJYKNSA-N	1	0	368.485	1.402	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C2CCOCC2)C[C@H]1c1cn(C)cn1	ZINC001130749793	940057748	/nfs/dbraw/zinc/05/77/48/940057748.db2.gz	QYZKDOJCIIZGHQ-VDZJLULYSA-N	1	0	360.502	1.943	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CSC)n2)O1	ZINC001130752856	940060144	/nfs/dbraw/zinc/06/01/44/940060144.db2.gz	DUGRCEFPZAGBGH-HZSPNIEDSA-N	1	0	367.519	1.948	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CSCCC)n2)O1	ZINC001130761621	940067623	/nfs/dbraw/zinc/06/76/23/940067623.db2.gz	DLHZVGQBNSXXRV-QWHCGFSZSA-N	1	0	351.476	1.007	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc[nH]3)n2)O1	ZINC001130756322	940077752	/nfs/dbraw/zinc/07/77/52/940077752.db2.gz	AMAXTDKFHYPBHD-DZGCQCFKSA-N	1	0	358.446	1.839	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc[nH]3)n2)O1	ZINC001130756624	940079845	/nfs/dbraw/zinc/07/98/45/940079845.db2.gz	QYUQISMVWFMGAB-DZGCQCFKSA-N	1	0	358.446	1.839	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCSC)n2)O1	ZINC001130758113	940083383	/nfs/dbraw/zinc/08/33/83/940083383.db2.gz	RCNSGJKPVBCHLH-QWHCGFSZSA-N	1	0	353.492	1.560	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[C@H]3CCCO3)n2)O1	ZINC001130758141	940083759	/nfs/dbraw/zinc/08/37/59/940083759.db2.gz	SVTWWCQVESUKMW-QLFBSQMISA-N	1	0	363.462	1.376	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COCCC)n2)O1	ZINC001130759667	940086584	/nfs/dbraw/zinc/08/65/84/940086584.db2.gz	DXOSHOLRYIUZTP-UONOGXRCSA-N	1	0	351.451	1.233	20	30		FDEDRO
CCCCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)C#N)n2)O1	ZINC001130769611	940107107	/nfs/dbraw/zinc/10/71/07/940107107.db2.gz	LXYBGRLBRWLZGW-SOUVJXGZSA-N	1	0	362.478	1.971	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c1	ZINC000806922887	940118631	/nfs/dbraw/zinc/11/86/31/940118631.db2.gz	VJIASNBDDBWWGH-UHFFFAOYSA-N	1	0	368.481	1.517	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCCC4(CC4)C3)n2)O1	ZINC001130785753	940120482	/nfs/dbraw/zinc/12/04/82/940120482.db2.gz	ZNXBEBMYSOBSQE-HRCADAONSA-N	1	0	371.485	1.834	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3ccoc3)n2)O1	ZINC001130778416	940132031	/nfs/dbraw/zinc/13/20/31/940132031.db2.gz	XFSHMOGEIUXIGT-LSDHHAIUSA-N	1	0	359.430	1.642	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccncc3C)n2)O1	ZINC001130781340	940137091	/nfs/dbraw/zinc/13/70/91/940137091.db2.gz	ZLVHUWLKDVWFFF-GOEBONIOSA-N	1	0	370.457	1.824	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3n[nH]cc3C)n2)O1	ZINC001130783262	940142959	/nfs/dbraw/zinc/14/29/59/940142959.db2.gz	TWADHFXKRICRTR-QWHCGFSZSA-N	1	0	359.434	1.152	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(CCF)CC3)n2)O1	ZINC001130793995	940145037	/nfs/dbraw/zinc/14/50/37/940145037.db2.gz	GQVSNVOXGSFHQF-UONOGXRCSA-N	1	0	365.453	1.947	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(F)c[nH]3)n2)O1	ZINC001130794517	940146121	/nfs/dbraw/zinc/14/61/21/940146121.db2.gz	XHOHYNQPPZTEKD-GXTWGEPZSA-N	1	0	362.409	1.588	20	30		FDEDRO
C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)C#Cc2ccccc2)CC1	ZINC000747365887	940161000	/nfs/dbraw/zinc/16/10/00/940161000.db2.gz	QPVGAQBZRBXHHQ-UHFFFAOYSA-N	1	0	369.509	1.981	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3ccccc3)n2)O1	ZINC001130790239	940163216	/nfs/dbraw/zinc/16/32/16/940163216.db2.gz	OPHVMASDYXGYIP-JKSUJKDBSA-N	1	0	355.442	1.659	20	30		FDEDRO
C#CCC1(C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]C(C)C)O3)n[nH]2)CCC1	ZINC001130790318	940164095	/nfs/dbraw/zinc/16/40/95/940164095.db2.gz	SXJBKKISAPMCMJ-LSDHHAIUSA-N	1	0	359.474	1.833	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCC(F)F)n2)O1	ZINC001130792441	940169821	/nfs/dbraw/zinc/16/98/21/940169821.db2.gz	DUYLLSYKLMHXIA-NWDGAFQWSA-N	1	0	357.405	1.852	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(C(C)C)CC3)n2)O1	ZINC001130809234	940186031	/nfs/dbraw/zinc/18/60/31/940186031.db2.gz	NDAKBBLCHKFTNW-LSDHHAIUSA-N	1	0	359.474	1.690	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](F)c3ccccc3)n2)O1	ZINC001130809231	940186671	/nfs/dbraw/zinc/18/66/71/940186671.db2.gz	MZJIUGOUSMGSIS-UXLLHSPISA-N	1	0	371.416	1.575	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ocnc3C3CC3)n2)O1	ZINC001130809142	940186807	/nfs/dbraw/zinc/18/68/07/940186807.db2.gz	IWVKSYCGIBFURI-QWHCGFSZSA-N	1	0	370.413	1.043	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3C[C@H]4C[C@H]4C3)n2)O1	ZINC001130799410	940191964	/nfs/dbraw/zinc/19/19/64/940191964.db2.gz	GIVPBCGYIPCWHX-CQJMVSDSSA-N	1	0	359.474	1.853	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](F)CC)n2)O1	ZINC001130799761	940194127	/nfs/dbraw/zinc/19/41/27/940194127.db2.gz	WUKYVQJDPQAFMV-BFHYXJOUSA-N	1	0	369.441	1.181	20	30		FDEDRO
CC#CCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCOC)O2)n[nH]1	ZINC001130802227	940196674	/nfs/dbraw/zinc/19/66/74/940196674.db2.gz	JCLHGNWPXJMNPG-LSDHHAIUSA-N	1	0	363.462	1.071	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3nocc3C)n2)O1	ZINC001130813761	940212467	/nfs/dbraw/zinc/21/24/67/940212467.db2.gz	WHIUZEWQCIHNCJ-QWHCGFSZSA-N	1	0	360.418	1.417	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)CC(C)C)n2)O1	ZINC001130816027	940217070	/nfs/dbraw/zinc/21/70/70/940217070.db2.gz	JXKBEFXHWWLUJG-OWCLPIDISA-N	1	0	361.490	1.936	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCCOC(C)C)n2)O1	ZINC001130819627	940226242	/nfs/dbraw/zinc/22/62/42/940226242.db2.gz	AHCHDFJDOVUHNF-LSDHHAIUSA-N	1	0	365.478	1.622	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCCCC)C[C@H]1c1cncn1C	ZINC001130910691	940317967	/nfs/dbraw/zinc/31/79/67/940317967.db2.gz	JGAGFAPOHMZOPN-HZPDHXFCSA-N	1	0	361.490	1.187	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccc(CO)cc2)C1	ZINC001130935913	940332174	/nfs/dbraw/zinc/33/21/74/940332174.db2.gz	QJRYRUAEIFVGMO-RTBURBONSA-N	1	0	368.481	1.963	20	30		FDEDRO
CCC[C@@H](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CCOC)C1	ZINC001130930690	940340241	/nfs/dbraw/zinc/34/02/41/940340241.db2.gz	CEMRVQPWQBYFKF-KZNAEPCWSA-N	1	0	360.502	1.780	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CC2=CCCCC2)C[C@H]1c1cncn1C	ZINC001130933119	940342376	/nfs/dbraw/zinc/34/23/76/940342376.db2.gz	MMINDUKHEMEUEF-RTBURBONSA-N	1	0	370.497	1.844	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC[C@@H]2CCCO2)C1	ZINC001130948272	940346657	/nfs/dbraw/zinc/34/66/57/940346657.db2.gz	CQJOEKLKHSFHRT-GVDBMIGSSA-N	1	0	362.474	1.076	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOCC2CCC2)C1	ZINC001130940825	940351281	/nfs/dbraw/zinc/35/12/81/940351281.db2.gz	KLJYRPIWFNKZKC-DJIMGWMZSA-N	1	0	359.474	1.280	20	30		FDEDRO
C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC000807452794	940363366	/nfs/dbraw/zinc/36/33/66/940363366.db2.gz	GCFTYISZIFNKIY-RHSMWYFYSA-N	1	0	356.426	1.613	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@](C)(O)C2CC2)C[C@H]1c1cncn1C	ZINC001130968958	940376649	/nfs/dbraw/zinc/37/66/49/940376649.db2.gz	MVCDSJMRTVDFBK-HLIPFELVSA-N	1	0	360.502	1.821	20	30		FDEDRO
COCC(C)(C)[NH+]1CCN(C(=O)NCc2ccc(OCC#N)cc2)CC1	ZINC000822930011	945314110	/nfs/dbraw/zinc/31/41/10/945314110.db2.gz	CCVYQPUULNFASA-UHFFFAOYSA-N	1	0	360.458	1.841	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC/C=C\CC)C1	ZINC001130983181	940397973	/nfs/dbraw/zinc/39/79/73/940397973.db2.gz	OWHVYNSBUVKJHA-IUDFFTLZSA-N	1	0	360.502	1.988	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H](Cc2ccccc2)n2nnnc2C)CC1	ZINC000747404144	940402182	/nfs/dbraw/zinc/40/21/82/940402182.db2.gz	HCNYKVKWGPHKKT-LJQANCHMSA-N	1	0	366.469	1.369	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOCC(F)F)C1	ZINC001130991490	940414161	/nfs/dbraw/zinc/41/41/61/940414161.db2.gz	NVNBZPVSLCEFDV-HUUCEWRRSA-N	1	0	368.428	1.245	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnn3c2CCC3)C[C@H]1c1cncn1C	ZINC001131006325	940433061	/nfs/dbraw/zinc/43/30/61/940433061.db2.gz	YTALYGXMJPZEMF-IAGOWNOFSA-N	1	0	368.485	1.727	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)[nH]nc2Cl)C[C@H]1c1cncn1C	ZINC001131008006	940434434	/nfs/dbraw/zinc/43/44/34/940434434.db2.gz	RJPLPNJNMXKFMN-CHWSQXEVSA-N	1	0	360.849	1.326	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)c2C)C[C@H]1c1cncn1C	ZINC001130999674	940436326	/nfs/dbraw/zinc/43/63/26/940436326.db2.gz	YOAUQMJNPWVMNU-QZTJIDSGSA-N	1	0	368.485	1.002	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1c1cncn1C	ZINC001131022957	940456505	/nfs/dbraw/zinc/45/65/05/940456505.db2.gz	LRNLNBDKVRNCGV-IAGOWNOFSA-N	1	0	369.469	1.283	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2sc(C)nc2C)C[C@H]1c1cncn1C	ZINC001131035915	940465255	/nfs/dbraw/zinc/46/52/55/940465255.db2.gz	TWLHRSZMCWFCGG-HZPDHXFCSA-N	1	0	371.510	1.643	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(OC)ccn2)C[C@H]1c1cncn1C	ZINC001131039899	940467943	/nfs/dbraw/zinc/46/79/43/940467943.db2.gz	AKSRTPOPCFTLNI-SJLPKXTDSA-N	1	0	369.469	1.988	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]C[C@H](C)OC)C2)cc1	ZINC001131040127	940468043	/nfs/dbraw/zinc/46/80/43/940468043.db2.gz	MOWMMDJGWLKVCI-KFKAGJAMSA-N	1	0	366.465	1.634	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2ccc(C)n2)C[C@H]1c1cncn1C	ZINC001131049111	940470507	/nfs/dbraw/zinc/47/05/07/940470507.db2.gz	PLAYYUHGARNGBA-KZNAEPCWSA-N	1	0	368.485	1.484	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1c1cncn1C	ZINC001131042947	940471903	/nfs/dbraw/zinc/47/19/03/940471903.db2.gz	ZHYGBBFCTLOYSA-ZIAGYGMSSA-N	1	0	358.446	1.023	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOCCOC)C1	ZINC001131043827	940473054	/nfs/dbraw/zinc/47/30/54/940473054.db2.gz	JSVGWFHFPZIUNX-HZPDHXFCSA-N	1	0	364.490	1.179	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(=O)NCC)C1	ZINC001131057592	940478011	/nfs/dbraw/zinc/47/80/11/940478011.db2.gz	OJFBILHFRYVHFG-ARFHVFGLSA-N	1	0	361.490	1.043	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(=O)NCCC)C1	ZINC001131059957	940478966	/nfs/dbraw/zinc/47/89/66/940478966.db2.gz	QYKHHMFBWSGHBD-HZPDHXFCSA-N	1	0	361.490	1.187	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(=O)NCC)C1	ZINC001131067057	940482658	/nfs/dbraw/zinc/48/26/58/940482658.db2.gz	QVPVQUGVSTWZJH-SPYBWZPUSA-N	1	0	361.490	1.043	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2CC3(CC3)C2)C[C@H]1c1cncn1C	ZINC001131067901	940483002	/nfs/dbraw/zinc/48/30/02/940483002.db2.gz	AOBGVJMLLBHKGJ-IAGOWNOFSA-N	1	0	356.470	1.144	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cc2C)C[C@H]1c1cncn1C	ZINC001131068007	940483263	/nfs/dbraw/zinc/48/32/63/940483263.db2.gz	HJMBMENQJFCYSL-IAGOWNOFSA-N	1	0	369.469	1.993	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ocnc2C2CC2)C[C@H]1c1cncn1C	ZINC001131070348	940484494	/nfs/dbraw/zinc/48/44/94/940484494.db2.gz	QQFVRKMORMYZAW-HUUCEWRRSA-N	1	0	353.426	1.507	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2cccnc2C)C[C@H]1c1cncn1C	ZINC001131070495	940484690	/nfs/dbraw/zinc/48/46/90/940484690.db2.gz	YLTWVQNBJJYMAG-QZTJIDSGSA-N	1	0	351.454	1.274	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2csc3cncn32)C[C@H]1c1cncn1C	ZINC001131084291	940489291	/nfs/dbraw/zinc/48/92/91/940489291.db2.gz	QKRZLVLGLZITTD-ZIAGYGMSSA-N	1	0	368.466	1.350	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCCCO2)C[C@H]1c1cncn1C	ZINC001131086544	940493534	/nfs/dbraw/zinc/49/35/34/940493534.db2.gz	RTNVCSWRJBLZRA-KZNAEPCWSA-N	1	0	358.486	1.677	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COc2cccnc2)C[C@H]1c1cncn1C	ZINC001131089568	940494840	/nfs/dbraw/zinc/49/48/40/940494840.db2.gz	NZGRILSQLDSJHC-IAGOWNOFSA-N	1	0	355.442	1.354	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(CC)nn2C)C[C@H]1c1cncn1C	ZINC001131093805	940496544	/nfs/dbraw/zinc/49/65/44/940496544.db2.gz	KZXCFQOLJKJEPO-IAGOWNOFSA-N	1	0	370.501	1.880	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn(CC(C)C)c2)C[C@H]1c1cncn1C	ZINC001131096860	940497517	/nfs/dbraw/zinc/49/75/17/940497517.db2.gz	OETRQAVGPMLBSA-QZTJIDSGSA-N	1	0	368.485	1.494	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(OC)cc2)C[C@H]1c1cncn1C	ZINC001131113106	940499137	/nfs/dbraw/zinc/49/91/37/940499137.db2.gz	UBLWYXQVKMLBJP-RTBURBONSA-N	1	0	366.465	1.579	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ncccc2Cl)C[C@H]1c1cncn1C	ZINC001131113405	940499295	/nfs/dbraw/zinc/49/92/95/940499295.db2.gz	ZHAQRHGFXILCRH-UKRRQHHQSA-N	1	0	357.845	1.690	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn(C(F)F)c2)C[C@H]1c1cncn1C	ZINC001131099859	940499571	/nfs/dbraw/zinc/49/95/71/940499571.db2.gz	XYWNQXNKIVTNCR-ZIAGYGMSSA-N	1	0	362.384	1.233	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1c1cncn1C	ZINC001131106541	940502030	/nfs/dbraw/zinc/50/20/30/940502030.db2.gz	ZFAYPOHWHOFZQG-ZIAGYGMSSA-N	1	0	350.413	1.763	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2conc2COC)C[C@H]1c1cncn1C	ZINC001131108511	940502928	/nfs/dbraw/zinc/50/29/28/940502928.db2.gz	UPLYUPCGBMJOBV-UKRRQHHQSA-N	1	0	359.430	1.328	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]C[C@@H](F)CC)C2)nc1	ZINC001131110244	940503432	/nfs/dbraw/zinc/50/34/32/940503432.db2.gz	JBHNSQMIWURCKR-LZLYRXPVSA-N	1	0	369.444	1.742	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ncccc2OC)C[C@H]1c1cncn1C	ZINC001131117690	940504392	/nfs/dbraw/zinc/50/43/92/940504392.db2.gz	MPVYQCUGKRESCI-HUUCEWRRSA-N	1	0	353.426	1.045	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cccn2CC)C[C@H]1c1cncn1C	ZINC001131120999	940506371	/nfs/dbraw/zinc/50/63/71/940506371.db2.gz	HSRMNQVAFUDGIG-IAGOWNOFSA-N	1	0	371.485	1.642	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2csc(CC)n2)C[C@H]1c1cncn1C	ZINC001131128239	940509965	/nfs/dbraw/zinc/50/99/65/940509965.db2.gz	YSROQJVZGCJCBV-HZPDHXFCSA-N	1	0	371.510	1.589	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1	ZINC000808057747	940514112	/nfs/dbraw/zinc/51/41/12/940514112.db2.gz	CWYIWAHXUXNLOU-KBPBESRZSA-N	1	0	366.259	1.573	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCCO)C2)CCCC1	ZINC001131139755	940516492	/nfs/dbraw/zinc/51/64/92/940516492.db2.gz	CZSOMPJTOARUNZ-IAGOWNOFSA-N	1	0	360.502	1.823	20	30		FDEDRO
C#C[C@@H](NC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)C(C)(C)C	ZINC000808265738	940536137	/nfs/dbraw/zinc/53/61/37/940536137.db2.gz	VVPOHUGTGDMZIY-QGZVFWFLSA-N	1	0	372.517	1.726	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@]12CCOc1ccccc12	ZINC001131241042	940540420	/nfs/dbraw/zinc/54/04/20/940540420.db2.gz	VJFMFIBKYGGDOF-UVFQYZLESA-N	1	0	357.454	1.123	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C(N)=O)c3)C2)c1	ZINC001086668778	940564271	/nfs/dbraw/zinc/56/42/71/940564271.db2.gz	YMQSQGZEAZXJIQ-WMLDXEAASA-N	1	0	365.437	1.674	20	30		FDEDRO
N#CCSCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H]2CCOC2)CC1	ZINC001131429503	940567300	/nfs/dbraw/zinc/56/73/00/940567300.db2.gz	JNNHAJRYHMNBPE-KYJSFNMBSA-N	1	0	367.515	1.265	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)C(C)=O)CC1	ZINC001131429394	940567307	/nfs/dbraw/zinc/56/73/07/940567307.db2.gz	BZXFHNFMOIHNIC-CVAIRZPRSA-N	1	0	365.518	1.805	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)CCC)CC1	ZINC001131437405	940568265	/nfs/dbraw/zinc/56/82/65/940568265.db2.gz	ZFIOZLDEQQFNIJ-QAPCUYQASA-N	1	0	371.909	1.641	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cc1	ZINC000808765867	940593959	/nfs/dbraw/zinc/59/39/59/940593959.db2.gz	LLRGQOXRARGCSO-YJBOKZPZSA-N	1	0	363.483	1.385	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(-c3noc([C@H](N)CCCC#N)n3)cn2)CC1	ZINC000822957036	945334037	/nfs/dbraw/zinc/33/40/37/945334037.db2.gz	VDUIQMPUTNNBMS-OAHLLOKOSA-N	1	0	355.446	1.967	20	30		FDEDRO
C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCOC(C)C)CC1	ZINC001131461972	940620467	/nfs/dbraw/zinc/62/04/67/940620467.db2.gz	ZNZNIAHTLASBNE-QUCCMNQESA-N	1	0	368.518	1.990	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2COCCN2C)CC1	ZINC001131470528	940626131	/nfs/dbraw/zinc/62/61/31/940626131.db2.gz	GYOKSSBVJWQMIY-QYZOEREBSA-N	1	0	365.518	1.269	20	30		FDEDRO
C#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cn(C)nn2)CC1	ZINC001131488016	940631914	/nfs/dbraw/zinc/63/19/14/940631914.db2.gz	SMUJNLGDSKTEND-MJGOQNOKSA-N	1	0	359.474	1.104	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCOCC)CC1	ZINC001131483052	940638378	/nfs/dbraw/zinc/63/83/78/940638378.db2.gz	LRZKTSWAJZYBOW-YZGWKJHDSA-N	1	0	368.518	1.726	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2n[nH]cc2C)CC1	ZINC001131493737	940644532	/nfs/dbraw/zinc/64/45/32/940644532.db2.gz	PAFZCNUYPFLALI-AEFFLSMTSA-N	1	0	362.474	1.520	20	30		FDEDRO
O=C(C#CC1CC1)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCC2CC2)CC1	ZINC001131493717	940644666	/nfs/dbraw/zinc/64/46/66/940644666.db2.gz	OEJNGOPDDDRLDJ-CTNGQTDRSA-N	1	0	360.498	1.812	20	30		FDEDRO
CC(C)C#CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(=O)N(C)C)CC1	ZINC001131495678	940646698	/nfs/dbraw/zinc/64/66/98/940646698.db2.gz	ABGRYIOMANVZGT-WDYCEAGBSA-N	1	0	363.502	1.108	20	30		FDEDRO
C#CCOCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)COC)CC1	ZINC001131498950	940649360	/nfs/dbraw/zinc/64/93/60/940649360.db2.gz	VJVPTXIINAOTCO-WDYCEAGBSA-N	1	0	352.475	1.047	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCC)CC1	ZINC001131502347	940652628	/nfs/dbraw/zinc/65/26/28/940652628.db2.gz	AZENAYGFGWTCPY-JQHSSLGASA-N	1	0	352.475	1.047	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c(F)cncc2F)CC1	ZINC001131506491	940668430	/nfs/dbraw/zinc/66/84/30/940668430.db2.gz	AVBCBPNKRPDACC-AEFFLSMTSA-N	1	0	363.408	1.982	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn(C)c2Cl)CC1	ZINC001131519588	940688988	/nfs/dbraw/zinc/68/89/88/940688988.db2.gz	SROGGQVOGPYVPD-CVEARBPZSA-N	1	0	364.877	1.696	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccnc3ccnn32)CC1	ZINC001131512074	940694166	/nfs/dbraw/zinc/69/41/66/940694166.db2.gz	LZVAJTZPMIGBJR-APWZRJJASA-N	1	0	367.453	1.352	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2snnc2CC)CC1	ZINC001131527856	940696922	/nfs/dbraw/zinc/69/69/22/940696922.db2.gz	CDKGNSSDLZGRQN-CVEARBPZSA-N	1	0	362.499	1.723	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnc3nccn3c2)CC1	ZINC001131528085	940697575	/nfs/dbraw/zinc/69/75/75/940697575.db2.gz	KPODRDDVSQLYPN-MSOLQXFVSA-N	1	0	367.453	1.352	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)CC(N)=O)CC1	ZINC001131541414	940715777	/nfs/dbraw/zinc/71/57/77/940715777.db2.gz	NHOAZGUVRKCWJP-LESCRADOSA-N	1	0	351.491	1.450	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn(C)nc2OC)CC1	ZINC001131541625	940716211	/nfs/dbraw/zinc/71/62/11/940716211.db2.gz	VIIHYFDXZIWENN-SJORKVTESA-N	1	0	360.458	1.051	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCCc2c[nH]nn2)CC1	ZINC001131535687	940724777	/nfs/dbraw/zinc/72/47/77/940724777.db2.gz	LDJRMDJEUNDYPP-MJGOQNOKSA-N	1	0	359.474	1.136	20	30		FDEDRO
C=C1CC(C)(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]C[C@H](O)COC)CC2)C1	ZINC001131559913	940734305	/nfs/dbraw/zinc/73/43/05/940734305.db2.gz	NXWVHVJMLIBNOS-KSZLIROESA-N	1	0	366.502	1.336	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@]2(C)CCNC2=O)CC1	ZINC001131561990	940735440	/nfs/dbraw/zinc/73/54/40/940735440.db2.gz	JEOXEBHDCVAOGQ-UWVAXJGDSA-N	1	0	363.502	1.465	20	30		FDEDRO
CC#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H]2CCNC2=O)CC1	ZINC001131547857	940736864	/nfs/dbraw/zinc/73/68/64/940736864.db2.gz	HCSCLCXBXHKYPC-AOIWGVFYSA-N	1	0	361.486	1.054	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c(C)nc[nH]c2=O)CC1	ZINC001131547916	940737224	/nfs/dbraw/zinc/73/72/24/940737224.db2.gz	JBLAZEZMMUYEOC-WBVHZDCISA-N	1	0	360.458	1.666	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@]1(C)c1ccccc1	ZINC001131548215	940737253	/nfs/dbraw/zinc/73/72/53/940737253.db2.gz	JHPNWJSTLNEUJZ-GHTZIAJQSA-N	1	0	355.482	1.871	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H](C)n2ccnc2)CC1	ZINC001131572333	940748395	/nfs/dbraw/zinc/74/83/95/940748395.db2.gz	DVFHODWDASIZLB-POAQFYNOSA-N	1	0	358.486	1.843	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COC2CCOCC2)CC1	ZINC001131574598	940751265	/nfs/dbraw/zinc/75/12/65/940751265.db2.gz	FNRBTZOTOARXSH-QUCCMNQESA-N	1	0	364.486	1.191	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2cc(Cl)cn2)CC1	ZINC001131575167	940752148	/nfs/dbraw/zinc/75/21/48/940752148.db2.gz	SBTRXISYCMNFTK-AEFFLSMTSA-N	1	0	364.877	1.546	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)C1=O	ZINC001131592455	940763561	/nfs/dbraw/zinc/76/35/61/940763561.db2.gz	ISFHOFCIQMASCT-OTWHNJEPSA-N	1	0	370.497	1.349	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCc2ccncc2)CC1	ZINC001131585351	940771315	/nfs/dbraw/zinc/77/13/15/940771315.db2.gz	WCXHUWBWMSNCJL-QUCCMNQESA-N	1	0	357.454	1.217	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)OCCOCC)CC1	ZINC001131606771	940776418	/nfs/dbraw/zinc/77/64/18/940776418.db2.gz	FSNSOQOPEMMSKQ-UHOSZYNNSA-N	1	0	366.502	1.437	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCN(C)C(C)=O)CC1	ZINC001131599675	940783012	/nfs/dbraw/zinc/78/30/12/940783012.db2.gz	GDSKOGYJAVUGTK-QUCCMNQESA-N	1	0	363.502	1.254	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCc2cccnc2)CC1	ZINC001131600015	940783473	/nfs/dbraw/zinc/78/34/73/940783473.db2.gz	SJXQMQHSLCJCPB-QUCCMNQESA-N	1	0	357.454	1.217	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)C(C)(C)C)CC1	ZINC001131601307	940784857	/nfs/dbraw/zinc/78/48/57/940784857.db2.gz	AJJOCUZVRUBWTH-AEFFLSMTSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)C(C)(C)C)CC1	ZINC001131601528	940785115	/nfs/dbraw/zinc/78/51/15/940785115.db2.gz	HJYBGJXRJTXJOK-WBVHZDCISA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCNC(N)=O)CC1	ZINC001131602577	940785596	/nfs/dbraw/zinc/78/55/96/940785596.db2.gz	XUCOWOCCXZKDHQ-LESCRADOSA-N	1	0	366.506	1.385	20	30		FDEDRO
C=CCCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC#CCOC)CC1	ZINC001131610446	940790322	/nfs/dbraw/zinc/79/03/22/940790322.db2.gz	QQWMIOKTWCRRRH-QUCCMNQESA-N	1	0	364.486	1.215	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COC[C@@H]2CCCO2)CC1	ZINC001131617452	940794480	/nfs/dbraw/zinc/79/44/80/940794480.db2.gz	SYCVCNFTBMRUBO-SCTDSRPQSA-N	1	0	352.475	1.354	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[C@@]2(C)CCC(=O)N2)CC1	ZINC001131617716	940795205	/nfs/dbraw/zinc/79/52/05/940795205.db2.gz	WPRGCVGDPGSMNS-LSTHTHJFSA-N	1	0	361.486	1.054	20	30		FDEDRO
CCC[NH+]1CCC(N(C)C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)CC1	ZINC000809503175	940845318	/nfs/dbraw/zinc/84/53/18/940845318.db2.gz	ZBEAEIONUSEZPJ-UHFFFAOYSA-N	1	0	372.469	1.516	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)C1	ZINC000809502948	940845393	/nfs/dbraw/zinc/84/53/93/940845393.db2.gz	SLSWYYXFLIXDIE-HNNXBMFYSA-N	1	0	358.442	1.031	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)C[C@H]1C	ZINC000809503998	940846285	/nfs/dbraw/zinc/84/62/85/940846285.db2.gz	CUGSKNNUSBGMCW-RHSMWYFYSA-N	1	0	372.469	1.514	20	30		FDEDRO
C#Cc1ccc(C[NH2+]CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1	ZINC000809607961	940865770	/nfs/dbraw/zinc/86/57/70/940865770.db2.gz	DNBUIYXOAOGANY-UHFFFAOYSA-N	1	0	357.454	1.837	20	30		FDEDRO
C#CCOc1ccc(C[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cc1	ZINC000809784773	940902029	/nfs/dbraw/zinc/90/20/29/940902029.db2.gz	NAKMJOYOFSYBEJ-QGZVFWFLSA-N	1	0	362.495	1.992	20	30		FDEDRO
CC(C)(C)N1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1=O	ZINC001086676781	940949114	/nfs/dbraw/zinc/94/91/14/940949114.db2.gz	VHNASVCBWNVPNK-YSVLISHTSA-N	1	0	371.485	1.774	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@@H](O)[C@H](NC(=O)CC3([NH+](C)C)CCCC3)C2)n1	ZINC001090505612	941144380	/nfs/dbraw/zinc/14/43/80/941144380.db2.gz	ZUSUVJDHOBREMO-IAGOWNOFSA-N	1	0	371.485	1.192	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)CC1	ZINC000747823890	941279852	/nfs/dbraw/zinc/27/98/52/941279852.db2.gz	XEQZLXKDQITRJU-JKSUJKDBSA-N	1	0	353.466	1.814	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CCOCC(F)(F)C(F)(F)F	ZINC001134053012	941539527	/nfs/dbraw/zinc/53/95/27/941539527.db2.gz	JXTVONBOXOHIIR-MNOVXSKESA-N	1	0	360.323	1.498	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1cccc(Cl)c1C	ZINC001134061674	941540494	/nfs/dbraw/zinc/54/04/94/941540494.db2.gz	CDTRDBRHBVVJRZ-CJNGLKHVSA-N	1	0	365.861	1.884	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCCC1CCCCC1	ZINC001134062291	941540810	/nfs/dbraw/zinc/54/08/10/941540810.db2.gz	VYNNXTIJJRPKKN-SJORKVTESA-N	1	0	351.491	1.370	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCCCC1CCCCC1	ZINC001134062118	941540847	/nfs/dbraw/zinc/54/08/47/941540847.db2.gz	SCDOGSVDRKULAF-MSOLQXFVSA-N	1	0	365.518	1.760	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@H]1CC[C@@H]([NH2+][C@H]2CCCN(C)C2=O)C1	ZINC001086717965	941567162	/nfs/dbraw/zinc/56/71/62/941567162.db2.gz	ZPLBVYLDANLJGM-BBWFWOEESA-N	1	0	358.486	1.783	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(CO)cc2)C1	ZINC001086720924	941620690	/nfs/dbraw/zinc/62/06/90/941620690.db2.gz	VNMNVOQWDAYZPA-HBMCJLEFSA-N	1	0	369.509	1.651	20	30		FDEDRO
C=C[C@@H](O)C(=O)OCC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1	ZINC000814543301	941673888	/nfs/dbraw/zinc/67/38/88/941673888.db2.gz	FAUWAVUGHVJORP-HZPDHXFCSA-N	1	0	366.845	1.683	20	30		FDEDRO
C=C[C@H](O)C(=O)OCC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1	ZINC000814543299	941674018	/nfs/dbraw/zinc/67/40/18/941674018.db2.gz	FAUWAVUGHVJORP-CVEARBPZSA-N	1	0	366.845	1.683	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1	ZINC000814655352	941693964	/nfs/dbraw/zinc/69/39/64/941693964.db2.gz	OIUAWPWICSEFEX-CYBMUJFWSA-N	1	0	360.414	1.696	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000815083244	941778295	/nfs/dbraw/zinc/77/82/95/941778295.db2.gz	TUZIYIJLFIVMPD-UHFFFAOYSA-N	1	0	359.373	1.810	20	30		FDEDRO
C#CCNC(=O)CC[N@@H+]1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000815107896	941785155	/nfs/dbraw/zinc/78/51/55/941785155.db2.gz	DVLUQFGVPGLGBU-SFHVURJKSA-N	1	0	357.454	1.764	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cnc1C(F)(F)F	ZINC000815152399	941786661	/nfs/dbraw/zinc/78/66/61/941786661.db2.gz	RWWUFOJNEKWJLN-CHWSQXEVSA-N	1	0	354.332	1.565	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cnc1C(F)(F)F	ZINC000815152402	941786685	/nfs/dbraw/zinc/78/66/85/941786685.db2.gz	RWWUFOJNEKWJLN-STQMWFEESA-N	1	0	354.332	1.565	20	30		FDEDRO
C#CCCCCCC(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1O	ZINC001195307314	970841358	/nfs/dbraw/zinc/84/13/58/970841358.db2.gz	RVTDTRZRHFMDBY-QZTJIDSGSA-N	1	0	361.490	1.193	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccc(F)cc2)C[C@H]1O	ZINC001195312261	970844714	/nfs/dbraw/zinc/84/47/14/970844714.db2.gz	KQPORBHHXQUWFI-GVDBMIGSSA-N	1	0	350.434	1.103	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)COc1cccc(C)c1	ZINC001135145532	941928992	/nfs/dbraw/zinc/92/89/92/941928992.db2.gz	NCHOKIDBNLCPFK-WDSOQIARSA-N	1	0	362.470	1.422	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N(CC(C)C)C1CC1	ZINC001135145521	941929018	/nfs/dbraw/zinc/92/90/18/941929018.db2.gz	MMLSFKPAQYOGTR-WMZOPIPTSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N([C@H](C)C1CC1)C1CC1	ZINC001135145488	941929220	/nfs/dbraw/zinc/92/92/20/941929220.db2.gz	KOWDBGULRBZHJR-LJHODMEESA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCCN(c2ccccc2)C1=O	ZINC001135145696	941929461	/nfs/dbraw/zinc/92/94/61/941929461.db2.gz	PVSGESONDHEEQU-FHWLQOOXSA-N	1	0	371.481	1.869	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCCC[C@H]1CC	ZINC001135145678	941929472	/nfs/dbraw/zinc/92/94/72/941929472.db2.gz	PFHWOXSQJAOSJY-RYRKJORJSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1c2ccccc2C[C@@H]1C	ZINC001135146000	941930279	/nfs/dbraw/zinc/93/02/79/941930279.db2.gz	YVRKVZCPKPVIMY-KNBMTAEXSA-N	1	0	371.481	1.651	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C)c(Br)n1	ZINC000815861696	941996943	/nfs/dbraw/zinc/99/69/43/941996943.db2.gz	VQMHWRHSKMVXMK-UHFFFAOYSA-N	1	0	367.247	1.162	20	30		FDEDRO
C=CCOc1ccccc1C(=O)NC[C@H]1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1	ZINC001086735618	942101736	/nfs/dbraw/zinc/10/17/36/942101736.db2.gz	FYUMTDJIVIPSDL-UXLLHSPISA-N	1	0	357.454	1.628	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C)cc(C)n3)C2)C1=O	ZINC001086740002	942177596	/nfs/dbraw/zinc/17/75/96/942177596.db2.gz	DSXQWKFZERMRPJ-KSZLIROESA-N	1	0	370.497	1.973	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]nc3CC)C2)C1=O	ZINC001086742094	942194524	/nfs/dbraw/zinc/19/45/24/942194524.db2.gz	XSGQTSZFYFOPJC-JJRVBVJISA-N	1	0	359.474	1.247	20	30		FDEDRO
C#CCOc1ccc(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)cc1	ZINC000816625057	942268427	/nfs/dbraw/zinc/26/84/27/942268427.db2.gz	PTMUBRAUCMYQHG-UHFFFAOYSA-N	1	0	374.462	1.857	20	30		FDEDRO
C[NH+](C)CCc1ccc(C(=O)NCCNC(=O)C2N=CC=CC2=O)cc1	ZINC000816923238	942383264	/nfs/dbraw/zinc/38/32/64/942383264.db2.gz	BIFHVIAVFAHWAO-ZPHPHTNESA-N	1	0	356.426	1.047	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2COCCN2CC(F)F)C1	ZINC001086767737	942442635	/nfs/dbraw/zinc/44/26/35/942442635.db2.gz	YUNWISYIRWPDDW-BFHYXJOUSA-N	1	0	365.852	1.579	20	30		FDEDRO
Cn1c(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)c[nH]c1=O	ZINC001086777300	942451226	/nfs/dbraw/zinc/45/12/26/942451226.db2.gz	LBLJDXAMCYVDQW-JKSUJKDBSA-N	1	0	353.426	1.686	20	30		FDEDRO
Cc1nn[nH]c1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2C#N)C1	ZINC001086772736	942457771	/nfs/dbraw/zinc/45/77/71/942457771.db2.gz	BBXMNIWHXMMLLH-BLLLJJGKSA-N	1	0	356.405	1.812	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1C#N	ZINC001086804157	942768997	/nfs/dbraw/zinc/76/89/97/942768997.db2.gz	UXGCVMNJNKJMLI-SVGFKBNWSA-N	1	0	370.453	1.063	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1	ZINC000817445987	942786638	/nfs/dbraw/zinc/78/66/38/942786638.db2.gz	RPURSVKZBJWHOY-IAGOWNOFSA-N	1	0	355.482	1.768	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nn(CC)nc2C)C1	ZINC001086807780	942830974	/nfs/dbraw/zinc/83/09/74/942830974.db2.gz	ULOYUOBWUYEXOH-LHHMISFZSA-N	1	0	361.490	1.572	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c1	ZINC000817843460	943006029	/nfs/dbraw/zinc/00/60/29/943006029.db2.gz	XRPNQGSSURJLNI-UHFFFAOYSA-N	1	0	355.482	1.863	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]([NH3+])C2CCC2)c1	ZINC000817922648	943079424	/nfs/dbraw/zinc/07/94/24/943079424.db2.gz	ITDHUWDQQDNYAC-MURKYSCBSA-N	1	0	364.471	1.565	20	30		FDEDRO
C=CCCN(OCc1ccccc1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1	ZINC000817984983	943118619	/nfs/dbraw/zinc/11/86/19/943118619.db2.gz	DKTRJJCVUBNXPS-ZWKOTPCHSA-N	1	0	357.454	1.733	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C[NH3+])C(C)(C)C)ccc1F	ZINC000818006670	943141497	/nfs/dbraw/zinc/14/14/97/943141497.db2.gz	GPWGYAWGULJTAF-AWEZNQCLSA-N	1	0	357.451	1.393	20	30		FDEDRO
C=CCn1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)nn1	ZINC000818346688	943216640	/nfs/dbraw/zinc/21/66/40/943216640.db2.gz	HWHKUFBALHHYCL-VNQPRFMTSA-N	1	0	365.478	1.872	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)ccc1F	ZINC000818562792	943287300	/nfs/dbraw/zinc/28/73/00/943287300.db2.gz	ACHOOJMONQQYHF-CQSZACIVSA-N	1	0	367.446	1.257	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CCNS(=O)(=O)c1ccc(C)c(C)c1	ZINC000818588988	943297029	/nfs/dbraw/zinc/29/70/29/943297029.db2.gz	LWPORXHDHZWAOC-UHFFFAOYSA-N	1	0	365.499	1.043	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@@]1(COC)CCN(C(=O)OC(C)(C)C)C1	ZINC000818589201	943297460	/nfs/dbraw/zinc/29/74/60/943297460.db2.gz	UVEYAGNJTVZZLS-IBGZPJMESA-N	1	0	367.490	1.331	20	30		FDEDRO
CC(=O)c1ccc(OC[C@H](O)C[NH2+]CCNc2ccc(C#N)cn2)cc1	ZINC000818952662	943361712	/nfs/dbraw/zinc/36/17/12/943361712.db2.gz	TWCJLCHENBLSIW-QGZVFWFLSA-N	1	0	354.410	1.597	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2	ZINC000818979404	943368628	/nfs/dbraw/zinc/36/86/28/943368628.db2.gz	LKZMCUFCQKUIKH-GFCCVEGCSA-N	1	0	355.232	1.809	20	30		FDEDRO
CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]Cc2ccc(OCC#N)cc2)cc1	ZINC000819011672	943383926	/nfs/dbraw/zinc/38/39/26/943383926.db2.gz	VLKBKUGBJZAQKH-SFHVURJKSA-N	1	0	360.435	1.816	20	30		FDEDRO
Cc1c(F)cccc1NC(=O)CC[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000819050939	943395394	/nfs/dbraw/zinc/39/53/94/943395394.db2.gz	YAIFVPRICUXOCM-ZCXUNETKSA-N	1	0	360.389	1.579	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]C[C@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C	ZINC000819083152	943413452	/nfs/dbraw/zinc/41/34/52/943413452.db2.gz	WCQBXYUREPZERV-KGLIPLIRSA-N	1	0	353.463	1.476	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[NH2+][C@@H]2CC(=O)N(CCOc3ccccc3)C2)cc1	ZINC000819100506	943421284	/nfs/dbraw/zinc/42/12/84/943421284.db2.gz	HGFXLENXKVHNLS-QUCCMNQESA-N	1	0	365.433	1.861	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1	ZINC000819221637	943494059	/nfs/dbraw/zinc/49/40/59/943494059.db2.gz	GDWSGUVVGWMNLO-CYBMUJFWSA-N	1	0	366.252	1.812	20	30		FDEDRO
C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]C[C@@H](O)c1ccc(C#N)cc1	ZINC000819299652	943509364	/nfs/dbraw/zinc/50/93/64/943509364.db2.gz	YWIXLGQVRWWKTD-DNVCBOLYSA-N	1	0	373.478	1.938	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H]([NH2+]C[C@@H](O)c3ccc(F)cn3)C2=O)cc1	ZINC000819259886	943515047	/nfs/dbraw/zinc/51/50/47/943515047.db2.gz	MPRPAUKBQRRUKF-ZWKOTPCHSA-N	1	0	354.385	1.516	20	30		FDEDRO
C#CCN(C)CCC[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1	ZINC000819333971	943530408	/nfs/dbraw/zinc/53/04/08/943530408.db2.gz	AIFWJSAEUFLEBB-OAHLLOKOSA-N	1	0	373.266	1.873	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O	ZINC001195554227	971003943	/nfs/dbraw/zinc/00/39/43/971003943.db2.gz	DISUUOOUBWCHJI-KFKAGJAMSA-N	1	0	358.482	1.928	20	30		FDEDRO
COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@@H]3CC[C@H](C#N)C3)CC2)cc1	ZINC000819383456	943566501	/nfs/dbraw/zinc/56/65/01/943566501.db2.gz	LMKBWMOJJZVGBC-SCTDSRPQSA-N	1	0	358.486	1.460	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)c1C#N	ZINC000819840384	943752636	/nfs/dbraw/zinc/75/26/36/943752636.db2.gz	OJUYAYYPFKINNG-MFKMUULPSA-N	1	0	362.434	1.285	20	30		FDEDRO
O=C(N[C@@H]1CCN(O)C1=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F	ZINC000820137253	943910205	/nfs/dbraw/zinc/91/02/05/943910205.db2.gz	LUNGJPBVPCOQBC-ZIAGYGMSSA-N	1	0	353.369	1.250	20	30		FDEDRO
N#CC1(C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CCSCC1	ZINC000820702102	944165781	/nfs/dbraw/zinc/16/57/81/944165781.db2.gz	JOEBHWMOBDWWAO-QGZVFWFLSA-N	1	0	359.495	1.559	20	30		FDEDRO
CON=C(C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1csc(N)n1	ZINC000820952688	944266658	/nfs/dbraw/zinc/26/66/58/944266658.db2.gz	HQSIVSQRXGFNQG-AWEZNQCLSA-N	1	0	373.482	1.809	20	30		FDEDRO
CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(C#N)ccc3F)C2)nn1	ZINC001086840700	944293644	/nfs/dbraw/zinc/29/36/44/944293644.db2.gz	RGCSNWGNDWYZBY-GOEBONIOSA-N	1	0	370.432	1.997	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)s1	ZINC000821479996	944528688	/nfs/dbraw/zinc/52/86/88/944528688.db2.gz	AOFXAAUMAYNUJO-OLZOCXBDSA-N	1	0	371.528	1.306	20	30		FDEDRO
CN(C)C(=O)OC1CCN([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1	ZINC000821776090	944664551	/nfs/dbraw/zinc/66/45/51/944664551.db2.gz	UBYNCYBLLKEVJM-INIZCTEOSA-N	1	0	370.409	1.353	20	30		FDEDRO
C#C[C@@H](NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1)[C@@H]1CCCO1	ZINC000822074376	944850415	/nfs/dbraw/zinc/85/04/15/944850415.db2.gz	XFRFBXGLYLLUAS-PBHICJAKSA-N	1	0	356.426	1.214	20	30		FDEDRO
COC(=O)c1ccc(C(=[NH2+])Nc2cnc(=O)n(CC(F)(F)F)c2)cc1	ZINC001170988830	945034280	/nfs/dbraw/zinc/03/42/80/945034280.db2.gz	GDYJRRVXLUVJOL-UHFFFAOYSA-N	1	0	354.288	1.629	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)s1	ZINC000823160954	945541291	/nfs/dbraw/zinc/54/12/91/945541291.db2.gz	MVEFOFIEAYQXDJ-OCCSQVGLSA-N	1	0	371.528	1.306	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1	ZINC001090731299	946029421	/nfs/dbraw/zinc/02/94/21/946029421.db2.gz	UOPNTLNGAGPMMQ-NVXWUHKLSA-N	1	0	356.474	1.555	20	30		FDEDRO
C[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@H]1NC(=O)COCC[NH+](C)C	ZINC001090741500	946093773	/nfs/dbraw/zinc/09/37/73/946093773.db2.gz	JKZGNYGVESQHPY-GHMZBOCLSA-N	1	0	371.894	1.187	20	30		FDEDRO
C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@]2(C#N)CC3CCC2CC3)cn1	ZINC001136833064	946263128	/nfs/dbraw/zinc/26/31/28/946263128.db2.gz	BOLBTBUEAWFZSY-JFIBYHEFSA-N	1	0	372.473	1.219	20	30		FDEDRO
C[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)COC1CC[NH+](C)CC1	ZINC001090754819	946280903	/nfs/dbraw/zinc/28/09/03/946280903.db2.gz	VDKIFTPSPJMTBM-RHSMWYFYSA-N	1	0	357.458	1.005	20	30		FDEDRO
C#CCN1CCCN(C(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)CC1	ZINC001136862862	946358059	/nfs/dbraw/zinc/35/80/59/946358059.db2.gz	FGOCMYDQELDQJY-UHFFFAOYSA-N	1	0	368.525	1.675	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N[C@@H]1CN(c2snc(Cl)c2C#N)C[C@H]1C	ZINC001090760617	946358443	/nfs/dbraw/zinc/35/84/43/946358443.db2.gz	CMASVHJRWKXBOT-ZYHUDNBSSA-N	1	0	355.895	1.951	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1C	ZINC001090777923	946565900	/nfs/dbraw/zinc/56/59/00/946565900.db2.gz	KAVANRBHBVBYMD-UHOFOFEASA-N	1	0	362.453	1.278	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1	ZINC001090787913	946620403	/nfs/dbraw/zinc/62/04/03/946620403.db2.gz	CSYKOFHBCSFTON-RHSMWYFYSA-N	1	0	365.441	1.211	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[nH]n2)CC1	ZINC001573281728	946679353	/nfs/dbraw/zinc/67/93/53/946679353.db2.gz	AZQUFUICDUGNRL-UHFFFAOYSA-N	1	0	356.434	1.102	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]21	ZINC001573282762	946697629	/nfs/dbraw/zinc/69/76/29/946697629.db2.gz	NXUHLBOZSSFGKM-NWANDNLSSA-N	1	0	353.430	1.048	20	30		FDEDRO
C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001573283546	946716001	/nfs/dbraw/zinc/71/60/01/946716001.db2.gz	VAFRRZBHMQJZIZ-DLBZAZTESA-N	1	0	367.457	1.677	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@@H]([C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573284639	946752429	/nfs/dbraw/zinc/75/24/29/946752429.db2.gz	IHMFXBHUWMPEGT-UONOGXRCSA-N	1	0	353.430	1.136	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1	ZINC001090792597	946762649	/nfs/dbraw/zinc/76/26/49/946762649.db2.gz	LVQFEYLIPGHGSW-NVXWUHKLSA-N	1	0	370.501	1.801	20	30		FDEDRO
CCc1noc(C[C@]2(O)CCC[N@H+](C[C@H](O)c3ccc(C#N)cc3)C2)n1	ZINC000856675421	971301447	/nfs/dbraw/zinc/30/14/47/971301447.db2.gz	YCEBUKUGFOKROG-QFBILLFUSA-N	1	0	356.426	1.607	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C(C)(C)C1	ZINC001573560385	946950785	/nfs/dbraw/zinc/95/07/85/946950785.db2.gz	BNAGVQBIIOMLPN-XHDPSFHLSA-N	1	0	371.420	1.492	20	30		FDEDRO
CC(C)[C@H](CCN(C)C(=O)[C@H](C)C#N)Nc1cc[nH+]cc1-c1nn[nH]n1	ZINC001573561399	946962906	/nfs/dbraw/zinc/96/29/06/946962906.db2.gz	KCSMRPLCCQRSFS-OCCSQVGLSA-N	1	0	356.434	1.128	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1	ZINC001573562664	946976662	/nfs/dbraw/zinc/97/66/62/946976662.db2.gz	VPRJORBESKABTH-BZNIZROVSA-N	1	0	371.420	1.492	20	30		FDEDRO
C=C(C)C[N@H+](C)CCC1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1	ZINC001573294063	946978054	/nfs/dbraw/zinc/97/80/54/946978054.db2.gz	SMMKUUXPLIYQOU-UHFFFAOYSA-N	1	0	357.462	1.945	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C(C)(C)C1	ZINC001573563026	946980539	/nfs/dbraw/zinc/98/05/39/946980539.db2.gz	YWVDLCBEIVYCSA-XHDPSFHLSA-N	1	0	371.420	1.492	20	30		FDEDRO
C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1	ZINC001573294649	946994357	/nfs/dbraw/zinc/99/43/57/946994357.db2.gz	FIYGBZIMZXLKOS-UHFFFAOYSA-N	1	0	363.853	1.922	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573565883	947017744	/nfs/dbraw/zinc/01/77/44/947017744.db2.gz	XGWCPYSOYYXGJQ-UKRRQHHQSA-N	1	0	353.430	1.307	20	30		FDEDRO
C=C(Cl)C[NH+]1CCC(CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1	ZINC001573295456	947018958	/nfs/dbraw/zinc/01/89/58/947018958.db2.gz	PSYYLOLRCLLJNN-UHFFFAOYSA-N	1	0	363.853	1.779	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573566544	947026445	/nfs/dbraw/zinc/02/64/45/947026445.db2.gz	DHDQQHHMSGWIQD-CJNGLKHVSA-N	1	0	353.430	1.449	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1	ZINC001573566598	947026575	/nfs/dbraw/zinc/02/65/75/947026575.db2.gz	DNAJQTYYIHXZBB-YOEHRIQHSA-N	1	0	367.457	1.839	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573567712	947052069	/nfs/dbraw/zinc/05/20/69/947052069.db2.gz	RGFZRIKASJYNJM-QWHCGFSZSA-N	1	0	354.418	1.096	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001573297099	947059865	/nfs/dbraw/zinc/05/98/65/947059865.db2.gz	DFYZXMBFYUVDDP-NWDGAFQWSA-N	1	0	363.853	1.826	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573568005	947062275	/nfs/dbraw/zinc/06/22/75/947062275.db2.gz	WJYMZVVUWDZJJM-JSGCOSHPSA-N	1	0	371.420	1.588	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@H](CCCC)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001573298622	947079045	/nfs/dbraw/zinc/07/90/45/947079045.db2.gz	QLWPOIJDWDEZAA-NSHDSACASA-N	1	0	351.842	1.826	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O	ZINC001195924437	971323744	/nfs/dbraw/zinc/32/37/44/971323744.db2.gz	VYJBNVODFUDEHZ-OPYAIIAOSA-N	1	0	358.482	1.928	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCCCC1	ZINC001573575714	947143419	/nfs/dbraw/zinc/14/34/19/947143419.db2.gz	ALXXQLSLTOMRNU-LBPRGKRZSA-N	1	0	354.418	1.074	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1	ZINC001573304888	947145556	/nfs/dbraw/zinc/14/55/56/947145556.db2.gz	IUGVAFKBOWELKA-KGLIPLIRSA-N	1	0	369.473	1.901	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1C	ZINC001573582183	947187298	/nfs/dbraw/zinc/18/72/98/947187298.db2.gz	BSVYAECJEFGVQU-WOSRLPQWSA-N	1	0	353.430	1.210	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1C	ZINC001573582867	947196568	/nfs/dbraw/zinc/19/65/68/947196568.db2.gz	HTLATDFWBUJOIC-LALPHHSUSA-N	1	0	371.420	1.350	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573583329	947203674	/nfs/dbraw/zinc/20/36/74/947203674.db2.gz	KYXBDWPRPHDUJT-QWHCGFSZSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCCC[N@H+](Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CC1	ZINC001573584242	947217625	/nfs/dbraw/zinc/21/76/25/947217625.db2.gz	RTOKBWYEAPPEHI-LBPRGKRZSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@@H]1CCC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573584376	947222270	/nfs/dbraw/zinc/22/22/70/947222270.db2.gz	VATRTOLPZOKUMR-OLZOCXBDSA-N	1	0	371.420	1.494	20	30		FDEDRO
C#CCN1C(=O)C[C@H]([N@@H+]2C[C@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)C1=O	ZINC000856718841	971346139	/nfs/dbraw/zinc/34/61/39/971346139.db2.gz	PAVDCNDQYDOILK-TYILLQQXSA-N	1	0	361.442	1.126	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573585102	947246884	/nfs/dbraw/zinc/24/68/84/947246884.db2.gz	KJHYOQXAKMURBT-KCQAQPDRSA-N	1	0	353.430	1.401	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1	ZINC001573315778	947261452	/nfs/dbraw/zinc/26/14/52/947261452.db2.gz	PJUIZTKCHYCRGA-MLGOLLRUSA-N	1	0	355.446	1.593	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573585583	947263076	/nfs/dbraw/zinc/26/30/76/947263076.db2.gz	SOJYIDJLRYIYEQ-GYSYKLTISA-N	1	0	357.393	1.150	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1c1ccc(OC)cc1	ZINC001090870327	947388098	/nfs/dbraw/zinc/38/80/98/947388098.db2.gz	FZGAXFPSCQVWIN-RBUKOAKNSA-N	1	0	369.469	1.837	20	30		FDEDRO
C=CCCC(=O)N1CCC[C@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1	ZINC001573329022	947416366	/nfs/dbraw/zinc/41/63/66/947416366.db2.gz	GKAPTBQSIHQHSB-CQSZACIVSA-N	1	0	355.446	1.609	20	30		FDEDRO
C=CCCC(=O)N1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2OC)[C@H]1C	ZINC001573330566	947435090	/nfs/dbraw/zinc/43/50/90/947435090.db2.gz	YYVQDUZQLZUMSJ-CJNGLKHVSA-N	1	0	370.457	1.921	20	30		FDEDRO
C=CCCCC(=O)N1CC[C@H](C)[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573334387	947454529	/nfs/dbraw/zinc/45/45/29/947454529.db2.gz	MPPDTNJSOVGKQF-GJZGRUSLSA-N	1	0	369.473	1.936	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn(CCF)c2)C[C@H]1c1ccc(OC)cc1	ZINC001090875525	947493383	/nfs/dbraw/zinc/49/33/83/947493383.db2.gz	YHEGYQWJKSDOAG-RBUKOAKNSA-N	1	0	370.428	1.692	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2OC)C1	ZINC001573335963	947496011	/nfs/dbraw/zinc/49/60/11/947496011.db2.gz	XXLFUACCTXSVQM-MRXNPFEDSA-N	1	0	370.457	1.922	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H](NCC#N)C1	ZINC001090873018	947506067	/nfs/dbraw/zinc/50/60/67/947506067.db2.gz	XDAFAQTVUMWDBZ-XUVXKRRUSA-N	1	0	370.497	1.977	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)[C@H](C)C1	ZINC001573343322	947555089	/nfs/dbraw/zinc/55/50/89/947555089.db2.gz	MWGKPZUECVKRKI-PBHICJAKSA-N	1	0	370.457	1.396	20	30		FDEDRO
C=CCOCC[NH2+]C[C@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C(C)(C)C	ZINC001573347770	947577252	/nfs/dbraw/zinc/57/72/52/947577252.db2.gz	HODVZHGSAPRXMK-AWEZNQCLSA-N	1	0	361.450	1.132	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2NCC#N)cc1	ZINC001090884341	947640423	/nfs/dbraw/zinc/64/04/23/947640423.db2.gz	LXWHFIRAZDAAOP-ZYSHUDEJSA-N	1	0	356.470	1.445	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)Nc1ccccc1C(=O)NCc1cccnc1	ZINC000844179170	947821086	/nfs/dbraw/zinc/82/10/86/947821086.db2.gz	REDODCXLKMFYAN-MRXNPFEDSA-N	1	0	351.410	1.971	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+](C)C[C@@](C)(O)CN(C)C(=O)OC(C)(C)C)C1=O	ZINC000844324826	947992891	/nfs/dbraw/zinc/99/28/91/947992891.db2.gz	MNVWLOYRTLOVMJ-RDTXWAMCSA-N	1	0	355.479	1.323	20	30		FDEDRO
C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)C[C@@H](O)c1cccc(C#N)c1	ZINC000844367301	948016702	/nfs/dbraw/zinc/01/67/02/948016702.db2.gz	STFCNZDDLJIBHS-UYAOXDASSA-N	1	0	351.406	1.835	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)CC1	ZINC001144003253	948095426	/nfs/dbraw/zinc/09/54/26/948095426.db2.gz	GXAJQBMNWJYTDC-ILXRZTDVSA-N	1	0	362.474	1.879	20	30		FDEDRO
CC[NH+](CC)Cc1cc(=O)n2c(n1)CN(Cc1cncc(C#N)c1)CCC2	ZINC001144080420	948201728	/nfs/dbraw/zinc/20/17/28/948201728.db2.gz	LGWASCAKMNXHOH-UHFFFAOYSA-N	1	0	366.469	1.758	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1Nc1ccc(C#N)nn1	ZINC001090984419	948227727	/nfs/dbraw/zinc/22/77/27/948227727.db2.gz	PAHANIMLJOQZFQ-NVXWUHKLSA-N	1	0	356.474	1.873	20	30		FDEDRO
C=CCN1c2ccc(NC(=O)CN(C)C(N)=[NH2+])cc2C2(CCOCC2)C1=O	ZINC001144135587	948263217	/nfs/dbraw/zinc/26/32/17/948263217.db2.gz	DWTRCEASIYRYOS-UHFFFAOYSA-N	1	0	371.441	1.031	20	30		FDEDRO
N#C[C@H]1CN(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2=O)CCO1	ZINC000844691405	948285833	/nfs/dbraw/zinc/28/58/33/948285833.db2.gz	LSRCYAPMMOWZHK-FHWLQOOXSA-N	1	0	354.454	1.149	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(-n3cccn3)c2)C1	ZINC001196131979	971468666	/nfs/dbraw/zinc/46/86/66/971468666.db2.gz	RFZODYGTANHLFJ-USXIJHARSA-N	1	0	355.442	1.397	20	30		FDEDRO
C[C@@H]1C[NH+](CCCNC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)C[C@@H](C)O1	ZINC000844867887	948451946	/nfs/dbraw/zinc/45/19/46/948451946.db2.gz	IQJDAJYIBZBHRZ-GPMSIDNRSA-N	1	0	374.485	1.732	20	30		FDEDRO
CCOC(=O)[C@H]1NCC[C@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1	ZINC000844927844	948510484	/nfs/dbraw/zinc/51/04/84/948510484.db2.gz	QJLDCHOBCFPFOZ-MOPGFXCFSA-N	1	0	356.470	1.406	20	30		FDEDRO
C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1nc(C#N)cs1	ZINC000845238240	948927079	/nfs/dbraw/zinc/92/70/79/948927079.db2.gz	FQDTZHKOFXVHPZ-LBPRGKRZSA-N	1	0	368.459	1.903	20	30		FDEDRO
CCC[N@@H+]1CCc2c(N)sc(NC(=O)[C@H](CS)NC(C)=O)c2C1	ZINC001144402168	949001166	/nfs/dbraw/zinc/00/11/66/949001166.db2.gz	DVQXKEMBSFTRDN-LBPRGKRZSA-N	1	0	356.517	1.471	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nnc3c2CCCC3)C1	ZINC001196222591	971561792	/nfs/dbraw/zinc/56/17/92/971561792.db2.gz	UISDZQQOJWUIIS-SJLPKXTDSA-N	1	0	363.506	1.289	20	30		FDEDRO
CC(C)(C)C#CC(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC001573792992	949277555	/nfs/dbraw/zinc/27/75/55/949277555.db2.gz	HSSTUAADKJATPA-UHFFFAOYSA-N	1	0	352.442	1.655	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NCC2CC([NH2+]Cc3ccc(C#N)s3)C2)O1	ZINC001091097785	949318311	/nfs/dbraw/zinc/31/83/11/949318311.db2.gz	VPILZFLMRURJOM-QROZZAMVSA-N	1	0	362.499	1.323	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COc2cccc(OC)c2)C1	ZINC001196326187	971620196	/nfs/dbraw/zinc/62/01/96/971620196.db2.gz	FXPDYSFQPJDXTD-RTBURBONSA-N	1	0	362.470	1.982	20	30		FDEDRO
CC(C)(C#N)c1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1	ZINC000845843567	950016771	/nfs/dbraw/zinc/01/67/71/950016771.db2.gz	YYDYXXPSWMUNOA-HZPDHXFCSA-N	1	0	363.483	1.629	20	30		FDEDRO
CC(C)C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H](C)C#N	ZINC001574150594	950031874	/nfs/dbraw/zinc/03/18/74/950031874.db2.gz	CAFOZWPIXKLCLI-WFASDCNBSA-N	1	0	373.436	1.786	20	30		FDEDRO
CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@@H](C)C#N	ZINC001574150817	950039731	/nfs/dbraw/zinc/03/97/31/950039731.db2.gz	DTGMRVFLBXERRR-XJKSGUPXSA-N	1	0	355.446	1.647	20	30		FDEDRO
CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@H](C)C#N	ZINC001574150815	950042824	/nfs/dbraw/zinc/04/28/24/950042824.db2.gz	DTGMRVFLBXERRR-CJNGLKHVSA-N	1	0	355.446	1.647	20	30		FDEDRO
C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1ccc(C#N)s1	ZINC001574738622	950174183	/nfs/dbraw/zinc/17/41/83/950174183.db2.gz	HHHLGDZKZFCQJF-JTQLQIEISA-N	1	0	370.442	1.378	20	30		FDEDRO
C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@](C)(C#N)C1	ZINC000845936880	950213627	/nfs/dbraw/zinc/21/36/27/950213627.db2.gz	JBLOQHOXMQFPKR-KSSFIOAISA-N	1	0	352.479	1.984	20	30		FDEDRO
C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@](C)(C#N)C1	ZINC000845936876	950214232	/nfs/dbraw/zinc/21/42/32/950214232.db2.gz	JBLOQHOXMQFPKR-KBXCAEBGSA-N	1	0	352.479	1.984	20	30		FDEDRO
C[C@H](Cc1cccc(C#N)c1)[NH2+]CC(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC001171202341	950228867	/nfs/dbraw/zinc/22/88/67/950228867.db2.gz	BSVYGCWBTYKYAX-BEFAXECRSA-N	1	0	364.449	1.292	20	30		FDEDRO
CC[C@@H](C(=O)N[C@@H]1CN(c2cc(C)ncc2C#N)C[C@@H]1O)[NH+](CC)CC	ZINC001091180947	950325036	/nfs/dbraw/zinc/32/50/36/950325036.db2.gz	MGEWQPORZHVYDM-RYRKJORJSA-N	1	0	359.474	1.048	20	30		FDEDRO
C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@H+](C)Cc1ccc(C#N)cc1	ZINC001574991482	950408357	/nfs/dbraw/zinc/40/83/57/950408357.db2.gz	MJXHYTOAKCQWPD-GFCCVEGCSA-N	1	0	364.413	1.317	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[NH2+][C@@H](c1ccncc1)C1(CO)CCC1	ZINC001196439916	971671025	/nfs/dbraw/zinc/67/10/25/971671025.db2.gz	FSNXDFKFKCDHKU-SFHVURJKSA-N	1	0	355.442	1.531	20	30		FDEDRO
C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C#CC1CC1	ZINC001574520098	950713816	/nfs/dbraw/zinc/71/38/16/950713816.db2.gz	LOALBDWJKOQZGK-QWHCGFSZSA-N	1	0	370.432	1.792	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3ncc(C)cn3)C[C@H]21	ZINC000961990043	1013107350	/nfs/dbraw/zinc/10/73/50/1013107350.db2.gz	DMGLGTMCVMKQNJ-APWQULEDSA-N	1	0	356.470	1.703	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3cc(C)cnc23)C1	ZINC001196482252	971705657	/nfs/dbraw/zinc/70/56/57/971705657.db2.gz	KJUPLJWYDQRMGW-IAGOWNOFSA-N	1	0	359.474	1.783	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)C1CCCC1	ZINC000846352410	950985663	/nfs/dbraw/zinc/98/56/63/950985663.db2.gz	AFZVSFXOMBDLQY-XYJFISCASA-N	1	0	361.486	1.136	20	30		FDEDRO
C[C@H]1[C@H](Nc2cnc(-c3nn[nH]n3)c(C#N)n2)CC[N@@H+]1Cc1ccccc1	ZINC001571000126	951107355	/nfs/dbraw/zinc/10/73/55/951107355.db2.gz	GFEVXTRWJKTUHK-GXTWGEPZSA-N	1	0	361.413	1.603	20	30		FDEDRO
CC[C@@H](C(=O)N1CC[C@H]2CCN(c3cnc(C#N)cn3)[C@H]2C1)[NH+](CC)CC	ZINC001091230420	951121156	/nfs/dbraw/zinc/12/11/56/951121156.db2.gz	NXTUHKYFYDMVSK-SZMVWBNQSA-N	1	0	370.501	1.896	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC[C@H]21	ZINC001571003910	951128307	/nfs/dbraw/zinc/12/83/07/951128307.db2.gz	DRVYGKSYZQQVBO-BXUZGUMPSA-N	1	0	361.837	1.484	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCC1CC([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001091234672	951170811	/nfs/dbraw/zinc/17/08/11/951170811.db2.gz	KAUUTDBORURSKC-ZGUYJTEBSA-N	1	0	354.454	1.267	20	30		FDEDRO
N#Cc1c[nH]c2cc(C(=O)N3CCC(O)(C[NH+]4CCOCC4)CC3)ccc12	ZINC000867179377	971730921	/nfs/dbraw/zinc/73/09/21/971730921.db2.gz	LULFAKBAIFWCOX-UHFFFAOYSA-N	1	0	368.437	1.339	20	30		FDEDRO
C[N@@H+]1CC[C@H](Nc2cnc(-c3nn[nH]n3)c(C#N)n2)[C@@H]1c1ccc(F)cc1	ZINC001571014519	951287529	/nfs/dbraw/zinc/28/75/29/951287529.db2.gz	DHGLFSVVJBQMGD-LRDDRELGSA-N	1	0	365.376	1.525	20	30		FDEDRO
Cc1nc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c[nH]c1=O	ZINC001196523719	971732171	/nfs/dbraw/zinc/73/21/71/971732171.db2.gz	SMJCIVAHCXZCJH-UHFFFAOYSA-N	1	0	351.410	1.367	20	30		FDEDRO
CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)NCC1([NH+](C)C)CCCC1	ZINC000846725658	951490793	/nfs/dbraw/zinc/49/07/93/951490793.db2.gz	ZFHQBQLOJCNBBG-QGZVFWFLSA-N	1	0	372.469	1.041	20	30		FDEDRO
O=C(CC[C@H]1CCCCO1)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O	ZINC001196534292	971754951	/nfs/dbraw/zinc/75/49/51/971754951.db2.gz	CFCQFPZUXYAGEG-VAMGGRTRSA-N	1	0	356.466	1.549	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H]3CCO[C@H]3C3CC3)c2)C1	ZINC001091404488	951597952	/nfs/dbraw/zinc/59/79/52/951597952.db2.gz	KGJXZMMQOZQBLS-AQNXPRMDSA-N	1	0	369.465	1.599	20	30		FDEDRO
COCC#CCN1CCCN(C(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)CC1	ZINC001196558560	971773928	/nfs/dbraw/zinc/77/39/28/971773928.db2.gz	XZYNHTLMRNBSQC-RTWAWAEBSA-N	1	0	370.493	1.961	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cc(CC)n[nH]4)C[C@]3(C)C2)C1=O	ZINC001091507565	951902841	/nfs/dbraw/zinc/90/28/41/951902841.db2.gz	XFLBWNXCOGEPBE-ZTQAJYAQSA-N	1	0	371.485	1.153	20	30		FDEDRO
C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]Cc1cccc(C#N)c1	ZINC001575113433	951941830	/nfs/dbraw/zinc/94/18/30/951941830.db2.gz	BJAJGXDQOZKFLI-GFCCVEGCSA-N	1	0	364.413	1.222	20	30		FDEDRO
Cn1cc(CC(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@@]3(C)C2)cn1	ZINC001091528196	951945304	/nfs/dbraw/zinc/94/53/04/951945304.db2.gz	AKUWTLZLMWJOCQ-CTNGQTDRSA-N	1	0	363.465	1.815	20	30		FDEDRO
C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N(c1ncccn1)C1C[NH2+]C1	ZINC001146222884	952001970	/nfs/dbraw/zinc/00/19/70/952001970.db2.gz	LUQWPQRFHLSESP-KZULUSFZSA-N	1	0	359.430	1.251	20	30		FDEDRO
C[C@]12CN(C(=O)c3nccnc3N)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001091549493	952011905	/nfs/dbraw/zinc/01/19/05/952011905.db2.gz	DWDVOTQLTBEJDW-UTKZUKDTSA-N	1	0	361.449	1.504	20	30		FDEDRO
CC(C)N1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@]3(C)C2)C1=O	ZINC001091574951	952113187	/nfs/dbraw/zinc/11/31/87/952113187.db2.gz	SOSOCZKLINGQCE-MDYRTPRTSA-N	1	0	369.469	1.290	20	30		FDEDRO
C[C@]12CN(C(=O)CCc3nnc[nH]3)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001091578170	952121787	/nfs/dbraw/zinc/12/17/87/952121787.db2.gz	AAHGEDWNNPVVCT-NQIIRXRSSA-N	1	0	363.465	1.569	20	30		FDEDRO
COC(=O)c1nccc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)n1	ZINC001171282555	952157185	/nfs/dbraw/zinc/15/71/85/952157185.db2.gz	SEYGHHAWQCBYEH-UHFFFAOYSA-N	1	0	351.410	1.655	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@H]3CCNC(=O)C3)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001091590096	952194025	/nfs/dbraw/zinc/19/40/25/952194025.db2.gz	DQHCXPNDFXAFIK-OPYAIIAOSA-N	1	0	366.465	1.365	20	30		FDEDRO
C[C@]12CN(C(=O)C[C@H]3COC(=O)C3)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001091597717	952198105	/nfs/dbraw/zinc/19/81/05/952198105.db2.gz	IARPZMKGASRHNO-KNKQGSTJSA-N	1	0	366.461	1.772	20	30		FDEDRO
Cc1cc(N[C@@H]2CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c(C#N)cn1	ZINC001091597153	952208121	/nfs/dbraw/zinc/20/81/21/952208121.db2.gz	JWNFXCRBPRPRFC-KVSKMBFKSA-N	1	0	357.502	1.967	20	30		FDEDRO
CC(C)N1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@]3(C)C2)C1=O	ZINC001091605495	952233903	/nfs/dbraw/zinc/23/39/03/952233903.db2.gz	XPKPSWQVGBIABT-ZTQAJYAQSA-N	1	0	369.469	1.290	20	30		FDEDRO
Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@]3(C)C2)n1	ZINC001091607154	952263346	/nfs/dbraw/zinc/26/33/46/952263346.db2.gz	SNSXKVCLPOPEDM-BEFAXECRSA-N	1	0	367.457	1.189	20	30		FDEDRO
C[C@]12CN(C(=O)CN3CCOCC3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001091608056	952270106	/nfs/dbraw/zinc/27/01/06/952270106.db2.gz	IVEVMJCLHCBRAI-CTNGQTDRSA-N	1	0	368.481	1.171	20	30		FDEDRO
Cc1ncc(C[N@@H+]2C[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@]3(C)C2)cn1	ZINC001091613030	952288852	/nfs/dbraw/zinc/28/88/52/952288852.db2.gz	KMEBOQIQMZOGCC-APWZRJJASA-N	1	0	350.426	1.579	20	30		FDEDRO
C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H](CC#N)c2ccccc2)cn1	ZINC001147114446	952307010	/nfs/dbraw/zinc/30/70/10/952307010.db2.gz	ZRINBHAWYJZQLW-QGZVFWFLSA-N	1	0	368.441	1.197	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C(F)(F)F)c2C)C1	ZINC001196631603	971823880	/nfs/dbraw/zinc/82/38/80/971823880.db2.gz	JZWMGAMJUYTYRR-YUSALJHKSA-N	1	0	360.380	1.867	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3ccsc3)C2)C1	ZINC001147788207	952530299	/nfs/dbraw/zinc/53/02/99/952530299.db2.gz	ZKLGTFHKRZJECY-BHYGNILZSA-N	1	0	371.506	1.524	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1CNc1ncnc2c1cnn2C	ZINC001091667711	952563489	/nfs/dbraw/zinc/56/34/89/952563489.db2.gz	VPDKMOBBXUPSBY-GDBMZVCRSA-N	1	0	370.457	1.298	20	30		FDEDRO
COC(=O)C1(C#N)CCN(C(=O)c2ccc(CC[NH+]3CCCC3)nc2)CC1	ZINC001147968368	952578418	/nfs/dbraw/zinc/57/84/18/952578418.db2.gz	LPTKNLDALXZBMK-UHFFFAOYSA-N	1	0	370.453	1.639	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNc1ccc(C#N)c(C)n1	ZINC001091672877	952603001	/nfs/dbraw/zinc/60/30/01/952603001.db2.gz	XFVNMELUUDJGJT-IAGOWNOFSA-N	1	0	359.474	1.489	20	30		FDEDRO
C[C@]12CN(C(=O)Cn3nccn3)C[C@H]1C[N@H+](Cc1ccc(C#N)c(F)c1)C2	ZINC001091703758	952676314	/nfs/dbraw/zinc/67/63/14/952676314.db2.gz	PVRXJIIWXHIHCD-APWZRJJASA-N	1	0	368.416	1.269	20	30		FDEDRO
CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)ccc1C#N	ZINC001196672355	971858510	/nfs/dbraw/zinc/85/85/10/971858510.db2.gz	RBDODYAOBBJBSN-UHFFFAOYSA-N	1	0	356.879	1.080	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)n3nnnc3C(C)(C)C)C[C@]2(C)C1	ZINC001091724862	952741936	/nfs/dbraw/zinc/74/19/36/952741936.db2.gz	SMUPIHKQNXTDPM-CLCXKQKWSA-N	1	0	358.490	1.335	20	30		FDEDRO
CNC(=O)c1cc(C#N)cc(C)c1NC(=O)c1ccc(NC(N)=[NH2+])cc1	ZINC001148650072	952763527	/nfs/dbraw/zinc/76/35/27/952763527.db2.gz	DPDXKAZZHNFSPA-UHFFFAOYSA-N	1	0	350.382	1.784	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cnc(C)o3)C[C@@]2(C)C1	ZINC001091749456	952789096	/nfs/dbraw/zinc/78/90/96/952789096.db2.gz	JYRXFLKQDVWSEC-KPFFTGBYSA-N	1	0	356.470	1.361	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ccccn3)C[C@@]2(C)C1	ZINC001091748446	952794078	/nfs/dbraw/zinc/79/40/78/952794078.db2.gz	LSHGBAOKXHGYGK-LMNJBCLMSA-N	1	0	352.482	1.460	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3CCC)C2)cn1	ZINC001086857512	952875189	/nfs/dbraw/zinc/87/51/89/952875189.db2.gz	HFEZQDZELJVXRU-MAUKXSAKSA-N	1	0	366.469	1.753	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(C)n(C)n3)C2)cn1	ZINC001086857551	952875461	/nfs/dbraw/zinc/87/54/61/952875461.db2.gz	JBKODYSVDYCITB-MAUKXSAKSA-N	1	0	351.454	1.793	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccn(C)c(=O)c3)C2)nc1	ZINC001086856438	952902824	/nfs/dbraw/zinc/90/28/24/952902824.db2.gz	ZUAAZCCMFAVOQL-FUHWJXTLSA-N	1	0	364.449	1.450	20	30		FDEDRO
CCN1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)C1	ZINC001086880950	952911950	/nfs/dbraw/zinc/91/19/50/952911950.db2.gz	WQDZFCZJPSMXHM-PWIZWCRZSA-N	1	0	370.497	1.653	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccc(C(N)=O)cc1)C2	ZINC001110122772	952938869	/nfs/dbraw/zinc/93/88/69/952938869.db2.gz	YFAFQTZYVIIHRB-NJAFHUGGSA-N	1	0	357.454	1.852	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)c(OC)c(C)c2)C[C@H]1c1cnn(C)c1	ZINC001086980015	952967151	/nfs/dbraw/zinc/96/71/51/952967151.db2.gz	FPEJSMFLFRPQTK-RBUKOAKNSA-N	1	0	366.465	1.877	20	30		FDEDRO
Cc1ncsc1C[NH2+][C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1c1cnn(C)c1	ZINC001086971102	952973267	/nfs/dbraw/zinc/97/32/67/952973267.db2.gz	XNHBTWPUZBZGFW-BYCMXARLSA-N	1	0	358.471	1.429	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001086971384	952974227	/nfs/dbraw/zinc/97/42/27/952974227.db2.gz	MEZBWCCNCFKISE-MDASCCDHSA-N	1	0	362.437	1.536	20	30		FDEDRO
Cc1nnsc1C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1cnn(C)c1	ZINC001086978502	952990409	/nfs/dbraw/zinc/99/04/09/952990409.db2.gz	ZYPDLIKONOBCDS-JKSUJKDBSA-N	1	0	370.482	1.078	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCO[C@H]2C(C)C)C[C@H]1c1cnn(C)c1	ZINC001086979753	952993501	/nfs/dbraw/zinc/99/35/01/952993501.db2.gz	QADHHYGVEMIRFA-OKYOBFRVSA-N	1	0	360.502	1.941	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)CC[C@H](C)C3)C[C@H]1c1cnn(C)c1	ZINC001086983706	952997612	/nfs/dbraw/zinc/99/76/12/952997612.db2.gz	CLBXGWFRIQRDLI-BHYGNILZSA-N	1	0	368.485	1.583	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCO)C2)cc1	ZINC001086985198	953001514	/nfs/dbraw/zinc/00/15/14/953001514.db2.gz	YCQVQHUQASSDPU-RBUKOAKNSA-N	1	0	370.453	1.175	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnoc2-c2ccco2)C[C@H]1c1cnn(C)c1	ZINC001086985138	953001753	/nfs/dbraw/zinc/00/17/53/953001753.db2.gz	VROQWENIZGGIQP-JKSUJKDBSA-N	1	0	365.393	1.499	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccn3ccnc3c2)C[C@H]1c1cnn(C)c1	ZINC001086987279	953009085	/nfs/dbraw/zinc/00/90/85/953009085.db2.gz	JXLBBZBRXZCDLW-DLBZAZTESA-N	1	0	350.426	1.452	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccc3oc(=O)[nH]c32)C[C@H]1c1cnn(C)c1	ZINC001086987884	953011307	/nfs/dbraw/zinc/01/13/07/953011307.db2.gz	SIQOUDHWKOCRLK-LSDHHAIUSA-N	1	0	367.409	1.651	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2cnn(C)c2)C[C@H]1c1cnn(C)c1	ZINC001086989357	953014247	/nfs/dbraw/zinc/01/42/47/953014247.db2.gz	XKPGXGLSKXBRPO-ZYSHUDEJSA-N	1	0	370.501	1.808	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2nc(Cl)cs2)C[C@H]1c1cnn(C)c1	ZINC001086993220	953025979	/nfs/dbraw/zinc/02/59/79/953025979.db2.gz	MQHLGHBMSYYOHZ-NWDGAFQWSA-N	1	0	351.863	1.914	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C)nc(OC)c2)C[C@H]1c1cnn(C)c1	ZINC001086993660	953027484	/nfs/dbraw/zinc/02/74/84/953027484.db2.gz	KXJKBPJJCOODMG-DLBZAZTESA-N	1	0	355.442	1.516	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)CCCC3)C[C@H]1c1cnn(C)c1	ZINC001086981096	953032048	/nfs/dbraw/zinc/03/20/48/953032048.db2.gz	OMJYOBCYNINDBZ-DLBZAZTESA-N	1	0	368.485	1.727	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(=O)[nH]c(C3CC3)c2)C[C@H]1c1cnn(C)c1	ZINC001086982220	953035268	/nfs/dbraw/zinc/03/52/68/953035268.db2.gz	ZKKHDIBKCHAHKN-FUHWJXTLSA-N	1	0	365.437	1.229	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1c1cnn(C)c1	ZINC001086996755	953038470	/nfs/dbraw/zinc/03/84/70/953038470.db2.gz	TUPHVLMSJJWZCA-BHYGNILZSA-N	1	0	365.909	1.541	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2coc(CC3CC3)n2)C[C@H]1c1cnn(C)c1	ZINC001087004196	953061740	/nfs/dbraw/zinc/06/17/40/953061740.db2.gz	KVZJLVGCUWLKAO-JKSUJKDBSA-N	1	0	353.426	1.192	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2coc(C3CCCC3)n2)C[C@H]1c1cnn(C)c1	ZINC001087004228	953061811	/nfs/dbraw/zinc/06/18/11/953061811.db2.gz	MGEQAJOZYFDDMD-DLBZAZTESA-N	1	0	367.453	1.897	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ncccc2OCC=C)C[C@H]1c1cnn(C)c1	ZINC001087004991	953063862	/nfs/dbraw/zinc/06/38/62/953063862.db2.gz	HFHIWMLFJBUFCS-DLBZAZTESA-N	1	0	367.453	1.764	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2c(C)nn(CC)c2C)C[C@H]1c1cnn(C)c1	ZINC001087005825	953065826	/nfs/dbraw/zinc/06/58/26/953065826.db2.gz	VXSVZLAAUOYPJM-RBUKOAKNSA-N	1	0	368.485	1.013	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C3CCCC3)C[C@H]2OCC)C1=O	ZINC001087016899	953073646	/nfs/dbraw/zinc/07/36/46/953073646.db2.gz	BWGOVNZCPKQKPV-FGTMMUONSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCC)C1	ZINC001087006116	953089351	/nfs/dbraw/zinc/08/93/51/953089351.db2.gz	JCHZOTYOTCEMMO-ZWKOTPCHSA-N	1	0	367.453	1.435	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC(C)C)C2)nc1	ZINC001087006293	953090148	/nfs/dbraw/zinc/09/01/48/953090148.db2.gz	UAZQQAWUHQEQBA-PKOBYXMFSA-N	1	0	351.454	1.650	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]c3ncccc23)C[C@H]1c1cnn(C)c1	ZINC001087011331	953103377	/nfs/dbraw/zinc/10/33/77/953103377.db2.gz	PZIXSDPBXCENOX-ZWKOTPCHSA-N	1	0	362.437	1.056	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc(C(C)(C)C)nc2)C[C@H]1c1cnn(C)c1	ZINC001087012425	953107198	/nfs/dbraw/zinc/10/71/98/953107198.db2.gz	XAQZCYXAHWPCBL-DLBZAZTESA-N	1	0	366.469	1.339	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087033684	953135746	/nfs/dbraw/zinc/13/57/46/953135746.db2.gz	ZVBMGJSJLBJYEN-GUDVDZBRSA-N	1	0	357.454	1.548	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001087035698	953145595	/nfs/dbraw/zinc/14/55/95/953145595.db2.gz	KFGPDFYNPGJRHU-MZMPZRCHSA-N	1	0	358.417	1.810	20	30		FDEDRO
CCOc1cccc(C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2OCC)n1	ZINC001087053058	953184895	/nfs/dbraw/zinc/18/48/95/953184895.db2.gz	XMZUPKQBQGYECH-IEBWSBKVSA-N	1	0	371.481	1.847	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]C[C@@H]1CCCCO1	ZINC001087046117	953193379	/nfs/dbraw/zinc/19/33/79/953193379.db2.gz	LPDRJAMYAYMOMJ-UWWQBHOKSA-N	1	0	360.458	1.522	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1cn(C)nc1C	ZINC001087046905	953194929	/nfs/dbraw/zinc/19/49/29/953194929.db2.gz	HMBUKRTWTASXCY-SJLPKXTDSA-N	1	0	370.457	1.195	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C2=CCOCC2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087047505	953196791	/nfs/dbraw/zinc/19/67/91/953196791.db2.gz	MBHWNUGXPYITFV-WOJBJXKFSA-N	1	0	369.465	1.858	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]Cc2ccnn2C)[C@H](OCC)C1	ZINC001087059546	953201830	/nfs/dbraw/zinc/20/18/30/953201830.db2.gz	LAOMDTCRKKNRCW-VQIMIIECSA-N	1	0	371.485	1.675	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H]2CCCN(C)C2=O)[C@H](OCC)C1	ZINC001087071911	953226316	/nfs/dbraw/zinc/22/63/16/953226316.db2.gz	JMUFMPAQGJRPOW-BZUAXINKSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCNC(=O)CC2)[C@H](OCC)C1	ZINC001087072019	953226569	/nfs/dbraw/zinc/22/65/69/953226569.db2.gz	OEUHTKJIGMHUHF-GVDBMIGSSA-N	1	0	365.518	1.568	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087081419	953239139	/nfs/dbraw/zinc/23/91/39/953239139.db2.gz	MQTHSNSULPEODL-NVXWUHKLSA-N	1	0	371.416	1.687	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3nonc3C)[C@H](OCC)C2)c1	ZINC001087082378	953240941	/nfs/dbraw/zinc/24/09/41/953240941.db2.gz	JFMYUCZZDXESAI-SJLPKXTDSA-N	1	0	369.425	1.021	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cccnc2C)[C@H](OCC)C1	ZINC001087085375	953246331	/nfs/dbraw/zinc/24/63/31/953246331.db2.gz	AHSPLZJVRFKPGQ-YSTOQKLRSA-N	1	0	373.497	1.934	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnoc2C)[C@H](OCC)C1	ZINC001087085611	953246815	/nfs/dbraw/zinc/24/68/15/953246815.db2.gz	NRYXEWBOWGRDRD-ZJPYXAASSA-N	1	0	363.458	1.527	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087088269	953250420	/nfs/dbraw/zinc/25/04/20/953250420.db2.gz	QTYTYOXXGJRFHK-IEBWSBKVSA-N	1	0	367.453	1.477	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087103517	953276482	/nfs/dbraw/zinc/27/64/82/953276482.db2.gz	KTPXIFSWHMGUBR-RTBURBONSA-N	1	0	367.453	1.408	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2[nH]cnc2C)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087104564	953277957	/nfs/dbraw/zinc/27/79/57/953277957.db2.gz	NOKLWWKIBYSSSN-QZTJIDSGSA-N	1	0	367.453	1.857	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ccnn3C)[C@H](OCC)C2)nc1	ZINC001087097535	953284858	/nfs/dbraw/zinc/28/48/58/953284858.db2.gz	VLPQSYBWANMGNM-VQIMIIECSA-N	1	0	367.453	1.063	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@H]3C[N@@H+]([C@@H](CC)C(N)=O)C[C@@]3(C)C2)cc1	ZINC001091793493	953317010	/nfs/dbraw/zinc/31/70/10/953317010.db2.gz	ICNKEXSFIABLMI-MMOPVJDHSA-N	1	0	371.481	1.909	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN3c3nccs3)C[C@]2(C)C1	ZINC001091882911	953513856	/nfs/dbraw/zinc/51/38/56/953513856.db2.gz	OQMSTYQWKAVJLG-MDZRGWNJSA-N	1	0	358.511	1.916	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)CCOCCN(C)c2ccc(C#N)cn2)CC[N@@H+]1C	ZINC001091907594	953687246	/nfs/dbraw/zinc/68/72/46/953687246.db2.gz	PIRMMKFDXGECSU-NVXWUHKLSA-N	1	0	359.474	1.205	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@@]2(C)C1	ZINC001091916366	953706959	/nfs/dbraw/zinc/70/69/59/953706959.db2.gz	HLRCIEMBFPOCBU-APWZRJJASA-N	1	0	368.543	1.804	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C[C@H]1C[N@H+](Cc1ccc(F)c(C#N)c1)C2	ZINC001091935755	953782637	/nfs/dbraw/zinc/78/26/37/953782637.db2.gz	BKJSOZJEYGGPPM-KFHRBPSFSA-N	1	0	369.440	1.870	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCCCN2C(C)=O)C1	ZINC001196854088	971961841	/nfs/dbraw/zinc/96/18/41/971961841.db2.gz	MXBXKZIKCAKYSY-IPMKNSEASA-N	1	0	365.518	1.685	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)N1CCOCC1)C2	ZINC001110126567	953917991	/nfs/dbraw/zinc/91/79/91/953917991.db2.gz	YOUNSQGJWAWUHG-YDZRNGNQSA-N	1	0	363.502	1.021	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@H]1CCN(c2nccnc2C#N)[C@@H]1C)[NH+]1CCCC1	ZINC001091979865	953977556	/nfs/dbraw/zinc/97/75/56/953977556.db2.gz	VUKRIVLGGJCSKL-HLLBOEOZSA-N	1	0	356.474	1.552	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CCN1c1ccc(C#N)nn1	ZINC001092031865	953986269	/nfs/dbraw/zinc/98/62/69/953986269.db2.gz	SGRPWHXJTDHMPU-ZBFHGGJFSA-N	1	0	356.474	1.696	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)nc3n[nH]c(C)c32)C1	ZINC001196905527	971983910	/nfs/dbraw/zinc/98/39/10/971983910.db2.gz	VIUVYGJMADDGSN-APHBMKBZSA-N	1	0	357.458	1.704	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CCN1c1ccc(C#N)nn1	ZINC001092024793	954106072	/nfs/dbraw/zinc/10/60/72/954106072.db2.gz	AIXSVUXAJPOKFG-PBHICJAKSA-N	1	0	365.441	1.353	20	30		FDEDRO
Cc1cc(C#N)nc(N2CC[C@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)[C@H]2C)n1	ZINC001092062451	954179933	/nfs/dbraw/zinc/17/99/33/954179933.db2.gz	OFIZWNBNHJLSRO-OIISXLGYSA-N	1	0	356.474	1.615	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C3(N4CCOCC4)CCCC3)C[C@]2(C)C1	ZINC001092062756	954181087	/nfs/dbraw/zinc/18/10/87/954181087.db2.gz	BAECQOJOGBVPEE-QUCCMNQESA-N	1	0	361.530	1.988	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3C[N@H+](C[C@@H]4CCCCO4)C[C@@]3(C)C2)nn1	ZINC001092078794	954223961	/nfs/dbraw/zinc/22/39/61/954223961.db2.gz	CFLXNEWIBSGWKA-GJYPPUQNSA-N	1	0	359.474	1.427	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3C[N@@H+](Cc4ocnc4C)C[C@@]3(C)C2)nn1	ZINC001092080468	954227150	/nfs/dbraw/zinc/22/71/50/954227150.db2.gz	ZSCLUBASPPYBAI-KDOFPFPSSA-N	1	0	356.430	1.355	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ccnc(C)c4)C[C@]3(C)C2)C1=O	ZINC001092113682	954347914	/nfs/dbraw/zinc/34/79/14/954347914.db2.gz	PZNNORQPXCKSFA-LQWHRVPQSA-N	1	0	368.481	1.571	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3cn(C[C@H]4CCOC4)nn3)C[C@]2(C)C1	ZINC001092148531	954392818	/nfs/dbraw/zinc/39/28/18/954392818.db2.gz	CEKPRMGXNJTQMH-MDZRGWNJSA-N	1	0	359.474	1.285	20	30		FDEDRO
C[C@]12CN(C(=O)Cc3ncc[nH]3)C[C@H]1C[N@H+](Cc1ccc(C#N)c(F)c1)C2	ZINC001092137054	954441988	/nfs/dbraw/zinc/44/19/88/954441988.db2.gz	DMAZHROLEITRAV-UZLBHIALSA-N	1	0	367.428	1.943	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3coc(C4CCOCC4)n3)C[C@]2(C)C1	ZINC001092179529	954468517	/nfs/dbraw/zinc/46/85/17/954468517.db2.gz	IVUTZNIRLUMKGX-UZLBHIALSA-N	1	0	357.454	1.986	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccccc3-n3cnnn3)C[C@]2(C)C1	ZINC001092267396	954638035	/nfs/dbraw/zinc/63/80/35/954638035.db2.gz	XYXJOFHWOOMRTF-BEFAXECRSA-N	1	0	352.442	1.632	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)Cc3nc4ncccn4n3)C[C@]2(C)C1	ZINC001092271992	954651950	/nfs/dbraw/zinc/65/19/50/954651950.db2.gz	OLRWAOIZFSYHCN-BEFAXECRSA-N	1	0	354.458	1.413	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(Cc4cc(C)on4)C[C@@]3(C)C2)CC1	ZINC001092299567	954745869	/nfs/dbraw/zinc/74/58/69/954745869.db2.gz	BNNCEODVXQAHLO-NQIIRXRSSA-N	1	0	370.497	1.609	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N1C[C@H]2CN(c3ccc(C#N)cn3)C[C@@]2(C)C1	ZINC001092292915	954896536	/nfs/dbraw/zinc/89/65/36/954896536.db2.gz	CIFRXRJEXJKJMH-XLIONFOSSA-N	1	0	355.486	1.970	20	30		FDEDRO
C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)c1nccn12	ZINC001092383719	954981249	/nfs/dbraw/zinc/98/12/49/954981249.db2.gz	MJSAOJHIAQTBEF-DZTUFKMZSA-N	1	0	354.454	1.455	20	30		FDEDRO
Cc1cc(N2C[C@@H](CNC(=O)C[C@@H]3CC[N@H+](C)C3)[C@H](C)C2)c(C#N)cn1	ZINC001092384853	954982934	/nfs/dbraw/zinc/98/29/34/954982934.db2.gz	LOHCJMJHOGEOTO-UWWQBHOKSA-N	1	0	355.486	1.792	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(CC)n2)C1	ZINC001197018157	972060522	/nfs/dbraw/zinc/06/05/22/972060522.db2.gz	NZGBGLUZHBQXJD-HZPDHXFCSA-N	1	0	350.463	1.009	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CNC(=O)CCC[NH+]1CCCC1	ZINC001092374409	955048999	/nfs/dbraw/zinc/04/89/99/955048999.db2.gz	GCJRTYWBKYOURH-HZPDHXFCSA-N	1	0	356.474	1.413	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](CNC(=O)C[N@@H+]3CCC(C)(C)C3)[C@H](C)C2)n1	ZINC001092446304	955123546	/nfs/dbraw/zinc/12/35/46/955123546.db2.gz	ODBGVHNWOQEAND-GDBMZVCRSA-N	1	0	370.501	1.577	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)c1cc[n+]([O-])cc1	ZINC001092447284	955128136	/nfs/dbraw/zinc/12/81/36/955128136.db2.gz	QTVDDUYOCGFWEB-RDTXWAMCSA-N	1	0	368.412	1.829	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1CN(c2ncccc2C#N)C[C@H]1C	ZINC001092411776	955139327	/nfs/dbraw/zinc/13/93/27/955139327.db2.gz	PCKWUYDTJUEYQZ-OIISXLGYSA-N	1	0	361.465	1.822	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3cc(Cl)c[nH]3)[C@H](C)C2)C1=O	ZINC001092461798	955188862	/nfs/dbraw/zinc/18/88/62/955188862.db2.gz	BSVUETMEYVKLOO-IOASZLSFSA-N	1	0	364.877	1.753	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1	ZINC001092519474	955307050	/nfs/dbraw/zinc/30/70/50/955307050.db2.gz	BZOJYLPHDSMLDC-FVQBIDKESA-N	1	0	356.474	1.187	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@H]1CN(C)CCO1	ZINC001092522870	955318192	/nfs/dbraw/zinc/31/81/92/955318192.db2.gz	WPDWFNMIPPFYJT-ATZDWAIDSA-N	1	0	356.470	1.073	20	30		FDEDRO
COc1coc(C[N@H+]2C[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)cc1=O	ZINC001092527164	955333540	/nfs/dbraw/zinc/33/35/40/955333540.db2.gz	HSXPILRDLCAODQ-TZMCWYRMSA-N	1	0	370.409	1.346	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C	ZINC001092548495	955391210	/nfs/dbraw/zinc/39/12/10/955391210.db2.gz	XAOHBBQQGBALRV-NUJGCVRESA-N	1	0	370.501	1.800	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CCNC(=O)[C@H](C1CC1)[NH+](C)C	ZINC001092550338	955397409	/nfs/dbraw/zinc/39/74/09/955397409.db2.gz	UUBQWDQMALBMSA-SIIHOXLZSA-N	1	0	356.474	1.267	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cc3n(n2)CCC3)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC001092553787	955417939	/nfs/dbraw/zinc/41/79/39/955417939.db2.gz	VAOVTDXYJSREMJ-UKRRQHHQSA-N	1	0	352.442	1.527	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC001197142561	972097504	/nfs/dbraw/zinc/09/75/04/972097504.db2.gz	ZBBUOUJQDOACQQ-IXDOHACOSA-N	1	0	351.491	1.511	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC001197142562	972097662	/nfs/dbraw/zinc/09/76/62/972097662.db2.gz	ZBBUOUJQDOACQQ-YESZJQIVSA-N	1	0	351.491	1.511	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CCNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001092531467	955491139	/nfs/dbraw/zinc/49/11/39/955491139.db2.gz	GRFMRWJEFBYYKW-OWCLPIDISA-N	1	0	356.474	1.269	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c([nH]c2=O)CCCC3)C1	ZINC001197109347	972101477	/nfs/dbraw/zinc/10/14/77/972101477.db2.gz	VRYFBTQVGIULSN-MORSLUCNSA-N	1	0	359.470	1.796	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CCNC(=O)[C@@]12CC[N@H+](C1)CCC2	ZINC001092534641	955508883	/nfs/dbraw/zinc/50/88/83/955508883.db2.gz	YKKFWBGCAXXJKW-QINHECLXSA-N	1	0	368.485	1.413	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CCNC(=O)CCCC[NH+](C)C	ZINC001092535802	955513178	/nfs/dbraw/zinc/51/31/78/955513178.db2.gz	KBIKQABSOQMJBM-HZPDHXFCSA-N	1	0	358.490	1.659	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@H]1CCNC(=O)C1	ZINC001092537106	955519815	/nfs/dbraw/zinc/51/98/15/955519815.db2.gz	VHWGTSGXHVDIJT-FHLIZLRMSA-N	1	0	354.454	1.269	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CCNC(=O)C[N@@H+]1CCC(C)(C)C1	ZINC001092585711	955549717	/nfs/dbraw/zinc/54/97/17/955549717.db2.gz	OELQUMFLTIDOBX-HZPDHXFCSA-N	1	0	370.501	1.659	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1CCNC(=O)C1(C[NH+](C)C)CC1	ZINC001092574689	955694693	/nfs/dbraw/zinc/69/46/93/955694693.db2.gz	VRVCNXFDXSAFDK-NVXWUHKLSA-N	1	0	355.486	1.874	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](CCNc2nc(C)cc(C#N)n2)C1	ZINC001092615047	955822560	/nfs/dbraw/zinc/82/25/60/955822560.db2.gz	HMKWISXZOKJMSX-GDBMZVCRSA-N	1	0	358.490	1.895	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](CCNc2cc(C)ncc2C#N)C1	ZINC001092615681	955824632	/nfs/dbraw/zinc/82/46/32/955824632.db2.gz	PDLIEKIJLPXSHU-NVXWUHKLSA-N	1	0	357.502	1.922	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNc2ccnc(C#N)n2)C1	ZINC001092618937	955842352	/nfs/dbraw/zinc/84/23/52/955842352.db2.gz	VDOBKUIALXSITK-HZPDHXFCSA-N	1	0	358.490	1.399	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CCNc2ccnc(C#N)n2)C1	ZINC001092623502	955866216	/nfs/dbraw/zinc/86/62/16/955866216.db2.gz	ITMKRKSKFIDCSA-HUUCEWRRSA-N	1	0	358.490	1.397	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)c2cc(=O)[nH]c3ncn(C)c32)[C@H](C)C1	ZINC001092672057	955974808	/nfs/dbraw/zinc/97/48/08/955974808.db2.gz	MXEIRBMNIUYDOF-ZIAGYGMSSA-N	1	0	357.458	1.938	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)[C@H](C)C1	ZINC001092694735	956057164	/nfs/dbraw/zinc/05/71/64/956057164.db2.gz	UJRIPKSRVYQDNH-YWTNHNAXSA-N	1	0	358.486	1.688	20	30		FDEDRO
CC(C)[N@H+](C)CC(=O)NC[C@]12CCC[C@H]1N(c1nccnc1C#N)CC2	ZINC001092698391	956075919	/nfs/dbraw/zinc/07/59/19/956075919.db2.gz	UZKWDHJKXVABKJ-VQIMIIECSA-N	1	0	356.474	1.554	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)NC[C@]23CCC[C@H]2N(c2ccnc(C#N)n2)CC3)C1	ZINC001092702251	956098425	/nfs/dbraw/zinc/09/84/25/956098425.db2.gz	ZROZOFNQSFPFCU-RZQQEMMASA-N	1	0	368.485	1.555	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@H]1C	ZINC001092688786	956193474	/nfs/dbraw/zinc/19/34/74/956193474.db2.gz	AEABQPQINSSIMS-AYWYSENESA-N	1	0	369.509	1.502	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1C	ZINC001092690062	956198677	/nfs/dbraw/zinc/19/86/77/956198677.db2.gz	ZBEFZBWIAVQCLC-AHRSYUTCSA-N	1	0	371.529	1.282	20	30		FDEDRO
C=CCOc1ccccc1C(=O)NC[C@@H]1C[N@H+]([C@H](C)C(=O)NC)C[C@H]1C	ZINC001092740260	956235618	/nfs/dbraw/zinc/23/56/18/956235618.db2.gz	JUEFYKSZYUFONV-BZUAXINKSA-N	1	0	359.470	1.684	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)c1cncn1C	ZINC001092788202	956324032	/nfs/dbraw/zinc/32/40/32/956324032.db2.gz	LUXFEJAOLHDQTN-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCO[C@@](C)(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001092776850	956414179	/nfs/dbraw/zinc/41/41/79/956414179.db2.gz	CKOSVWWISSPGQZ-MDYRTPRTSA-N	1	0	371.485	1.313	20	30		FDEDRO
COc1nccc(C(=O)NC[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2C)n1	ZINC001092814072	956507554	/nfs/dbraw/zinc/50/75/54/956507554.db2.gz	ADEFETOOLOSOEU-SJLPKXTDSA-N	1	0	364.449	1.835	20	30		FDEDRO
CC[NH+](CC)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1)C(C)C	ZINC001092866640	956583316	/nfs/dbraw/zinc/58/33/16/956583316.db2.gz	PCROMRWOTSMQEJ-DRMAHVMPSA-N	1	0	370.501	1.941	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]2C)cc1	ZINC001092876401	956622271	/nfs/dbraw/zinc/62/22/71/956622271.db2.gz	DAYANYAGXQHABF-NSISKUIASA-N	1	0	367.493	1.975	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)c1c[nH]c(=O)n1C	ZINC001092886668	956674052	/nfs/dbraw/zinc/67/40/52/956674052.db2.gz	ZICXEEZFGXWTLK-CZUORRHYSA-N	1	0	353.426	1.495	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nc1	ZINC001092887679	956677779	/nfs/dbraw/zinc/67/77/79/956677779.db2.gz	HYLZLBVZBPXOSW-BGTYHANMSA-N	1	0	359.449	1.859	20	30		FDEDRO
Cc1cc(C#N)nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C3)n1	ZINC001092862353	956724490	/nfs/dbraw/zinc/72/44/90/956724490.db2.gz	MJTHNSUPJPVPKF-LTIDMASMSA-N	1	0	356.474	1.469	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn3nccc3nc2C)C1	ZINC001197326553	972208665	/nfs/dbraw/zinc/20/86/65/972208665.db2.gz	GGPJBWGOLRFJRE-IAGOWNOFSA-N	1	0	359.474	1.783	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cncnc1)C2	ZINC001110491705	972217600	/nfs/dbraw/zinc/21/76/00/972217600.db2.gz	WGDLFCNAAIHYDH-KURKYZTESA-N	1	0	371.485	1.165	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[N@@H+](Cc3cc(C)n(C)n3)C[C@H]2C)c1	ZINC001092952873	956888481	/nfs/dbraw/zinc/88/84/81/956888481.db2.gz	TWLFCWHPEFJEKY-RDTXWAMCSA-N	1	0	351.454	1.603	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1	ZINC001092927037	956932167	/nfs/dbraw/zinc/93/21/67/956932167.db2.gz	RQFWCTGXKYDXHK-WCVJEAGWSA-N	1	0	354.458	1.449	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1C	ZINC001092981623	956985923	/nfs/dbraw/zinc/98/59/23/956985923.db2.gz	GVDDHZZXSNLRNX-ZIGSKRJUSA-N	1	0	370.453	1.998	20	30		FDEDRO
Cc1cc(C#N)nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C3)n1	ZINC001092994271	957081615	/nfs/dbraw/zinc/08/16/15/957081615.db2.gz	MJTHNSUPJPVPKF-WCXIOVBPSA-N	1	0	356.474	1.469	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)c1ccnnc1	ZINC001093000046	957101236	/nfs/dbraw/zinc/10/12/36/957101236.db2.gz	YAASMCPMXBTYPP-CRAIPNDOSA-N	1	0	365.437	1.877	20	30		FDEDRO
Cc1nsc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C3)c1C#N	ZINC001093022753	957159029	/nfs/dbraw/zinc/15/90/29/957159029.db2.gz	CBLMKSDRKLBHAS-DMRZNYOFSA-N	1	0	359.499	1.889	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3cc(C)[nH]c3C)[C@H](C)C2)C1=O	ZINC001093011008	957191786	/nfs/dbraw/zinc/19/17/86/957191786.db2.gz	WHTNXQYHUOGXAA-MZMPZRCHSA-N	1	0	358.486	1.716	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2C)nn1	ZINC001093034957	957252759	/nfs/dbraw/zinc/25/27/59/957252759.db2.gz	HHTCDYNFPLQFGC-CRAIPNDOSA-N	1	0	364.453	1.834	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3cc(C)n(C)n3)C[C@H]2C)nn1	ZINC001093039949	957263575	/nfs/dbraw/zinc/26/35/75/957263575.db2.gz	CMYWJDHPHZGBMM-GDBMZVCRSA-N	1	0	371.489	1.394	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@H]2C)nn1	ZINC001093040065	957264222	/nfs/dbraw/zinc/26/42/22/957264222.db2.gz	GOLTWCDEXSNRJC-NVXWUHKLSA-N	1	0	371.489	1.128	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@H]2C)nn1	ZINC001093040329	957264265	/nfs/dbraw/zinc/26/42/65/957264265.db2.gz	NDJPZXZVXSZEPB-ZACQAIPSSA-N	1	0	361.490	1.721	20	30		FDEDRO
CC[C@H](C(=O)N[C@]12CCC[C@H]1CN(c1nccnc1C#N)C2)[NH+](CC)CC	ZINC001093104023	957449929	/nfs/dbraw/zinc/44/99/29/957449929.db2.gz	WEVCKLVQOGSSCU-VPWXQRGCSA-N	1	0	370.501	1.944	20	30		FDEDRO
COc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)nn1	ZINC001093108222	957492008	/nfs/dbraw/zinc/49/20/08/957492008.db2.gz	SQMXSIPROQRBBI-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2cn([C@H]3CCOC3)nn2)[C@H](C)C1	ZINC001093116022	957559838	/nfs/dbraw/zinc/55/98/38/957559838.db2.gz	FCIPXROFJZHVCH-BNOWGMLFSA-N	1	0	353.854	1.290	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3cc4c([nH]3)CCC4)[C@H](C)C2)C1=O	ZINC001093122612	957581353	/nfs/dbraw/zinc/58/13/53/957581353.db2.gz	YGPQXLHHEXLURN-OGWOLHLISA-N	1	0	370.497	1.588	20	30		FDEDRO
C[C@@H]1CN(Cc2cc(F)ccc2C#N)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2	ZINC001093132865	957616945	/nfs/dbraw/zinc/61/69/45/957616945.db2.gz	DAQOMPBDBANXEQ-CRAIPNDOSA-N	1	0	370.472	1.977	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N[C@@H]1CN(CC#Cc2cccc(Cl)c2)C[C@H]1O	ZINC001197536025	972279278	/nfs/dbraw/zinc/27/92/78/972279278.db2.gz	HOIIKCOYRVMRCK-QZTJIDSGSA-N	1	0	363.889	1.195	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCCc3nc(C)no3)C[C@H]2C)cn1	ZINC001093142741	957638369	/nfs/dbraw/zinc/63/83/69/957638369.db2.gz	AALLTMZDVSSEFD-RHSMWYFYSA-N	1	0	367.453	1.685	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCn3nc(C)nc3C)C[C@H]2C)nc1	ZINC001093141856	957638743	/nfs/dbraw/zinc/63/87/43/957638743.db2.gz	VBAAOXPRSAQZTI-RDTXWAMCSA-N	1	0	366.469	1.269	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(OC)nc3)C[C@H]2C)cn1	ZINC001093142813	957640025	/nfs/dbraw/zinc/64/00/25/957640025.db2.gz	DKSJSQOMYRWVNY-CRAIPNDOSA-N	1	0	364.449	1.964	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1C	ZINC001093143504	957642112	/nfs/dbraw/zinc/64/21/12/957642112.db2.gz	LCSJGPVBKPXICK-FGTMMUONSA-N	1	0	371.481	1.818	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)[C@@H]1CCC(=O)N1	ZINC001093143563	957642671	/nfs/dbraw/zinc/64/26/71/957642671.db2.gz	OTCCQUSZZDHNAM-VMGRFDJRSA-N	1	0	358.417	1.160	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)CC(C)(C)O)C[C@H]2C)C1=O	ZINC001093273822	957943157	/nfs/dbraw/zinc/94/31/57/957943157.db2.gz	HDCAUTQEXBTCTA-OAGGEKHMSA-N	1	0	351.491	1.009	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H]3CCN(C)C3=O)C2)cc1	ZINC001093280086	957954279	/nfs/dbraw/zinc/95/42/79/957954279.db2.gz	COXZDYACSHKPNK-LZQZEXGQSA-N	1	0	353.466	1.586	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CC3CCCC3)nn2)C1	ZINC001093334859	958002780	/nfs/dbraw/zinc/00/27/80/958002780.db2.gz	OBWKTIWHPRFAPF-MSOLQXFVSA-N	1	0	359.474	1.532	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncc4nc[nH]c43)[C@H]2C(C)C)C[C@H]1O	ZINC001093446486	958093564	/nfs/dbraw/zinc/09/35/64/958093564.db2.gz	IGXXWQCLLRBUTE-BIJSTVTOSA-N	1	0	369.469	1.724	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnn3C3CCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093446952	958097988	/nfs/dbraw/zinc/09/79/88/958097988.db2.gz	OJZKLHAJDSRAFN-VELGLUOQSA-N	1	0	370.497	1.821	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn4c3CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093448003	958104937	/nfs/dbraw/zinc/10/49/37/958104937.db2.gz	CDIQTWAVHGOCTB-PHXBYCTMSA-N	1	0	356.470	1.042	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(OCC)n[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093449325	958114627	/nfs/dbraw/zinc/11/46/27/958114627.db2.gz	FVTAPPUWFBCGRW-RRIFGTCXSA-N	1	0	362.474	1.574	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccn(C(F)F)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093450451	958123882	/nfs/dbraw/zinc/12/38/82/958123882.db2.gz	VDQBXGICWKWNJG-BSXFFOKHSA-N	1	0	366.412	1.491	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(OCC)n[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093451406	958132801	/nfs/dbraw/zinc/13/28/01/958132801.db2.gz	TXBSDJNGDUQBFU-IIHSZXCVSA-N	1	0	360.458	1.021	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)C(N)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001093451800	958135938	/nfs/dbraw/zinc/13/59/38/958135938.db2.gz	YMRCYWIWUNTLAF-ZUMXRPEOSA-N	1	0	371.909	1.217	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(Cl)n(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093459620	958183825	/nfs/dbraw/zinc/18/38/25/958183825.db2.gz	VEEUNNQNLPFTDR-DEICHXMPSA-N	1	0	364.877	1.286	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc4n[nH]cc4c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093460853	958190609	/nfs/dbraw/zinc/19/06/09/958190609.db2.gz	ZETVIGCDHPAGRN-XCJLJZCSSA-N	1	0	366.465	1.776	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ncccc3F)[C@@H]2C(C)C)C[C@H]1O	ZINC001093461290	958193533	/nfs/dbraw/zinc/19/35/33/958193533.db2.gz	HKHKHYRBEBQSBO-HNBVOPMISA-N	1	0	361.461	1.915	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccnc3OC)[C@H]2C(C)C)C[C@H]1O	ZINC001093462195	958193963	/nfs/dbraw/zinc/19/39/63/958193963.db2.gz	NSJILLNOKLVDAK-PDOICOKGSA-N	1	0	357.454	1.303	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3cc(C)on3)[C@H]2C(C)C)C[C@H]1O	ZINC001093464957	958201353	/nfs/dbraw/zinc/20/13/53/958201353.db2.gz	HITNRYXWNVUVBS-JYBIWHBTSA-N	1	0	359.470	1.515	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)nn3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001093466146	958207686	/nfs/dbraw/zinc/20/76/86/958207686.db2.gz	LWXYSGKMEKFYJB-LBKNJMOBSA-N	1	0	360.502	1.977	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc4c(c3)COC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093466318	958208559	/nfs/dbraw/zinc/20/85/59/958208559.db2.gz	MTAAZXPXHGKXJJ-JBPLPALLSA-N	1	0	368.477	1.930	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccc(CC)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093466804	958211438	/nfs/dbraw/zinc/21/14/38/958211438.db2.gz	PZQBRSLZHRSZSL-CZAYHTPWSA-N	1	0	369.509	1.786	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncc(C#C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093467860	958217269	/nfs/dbraw/zinc/21/72/69/958217269.db2.gz	WBCBSUIFEMIUOK-WERVVEIQSA-N	1	0	351.450	1.276	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3conc3C3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093468229	958218582	/nfs/dbraw/zinc/21/85/82/958218582.db2.gz	XZPXNZKGQSZQEL-QQTQMKHKSA-N	1	0	357.454	1.765	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3cn[nH]c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093469470	958222492	/nfs/dbraw/zinc/22/24/92/958222492.db2.gz	GHSCZBQIRGTZKI-JYBIWHBTSA-N	1	0	360.502	1.885	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(CCC)nn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093469942	958225618	/nfs/dbraw/zinc/22/56/18/958225618.db2.gz	NSUUFTGZKXKIOF-MYZZLAAOSA-N	1	0	361.490	1.454	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COc3cccnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093470390	958228430	/nfs/dbraw/zinc/22/84/30/958228430.db2.gz	UGTFGMAWXQYJRJ-HNBVOPMISA-N	1	0	359.470	1.613	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3ncccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093470590	958229140	/nfs/dbraw/zinc/22/91/40/958229140.db2.gz	XFWQDLBVTCHNBS-SMOSDQRPSA-N	1	0	358.486	1.561	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc4ncccn4n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093472355	958237772	/nfs/dbraw/zinc/23/77/72/958237772.db2.gz	KNFZZEMWRWTHDZ-CIWUYKSXSA-N	1	0	369.469	1.495	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cnn(CC)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093472827	958241677	/nfs/dbraw/zinc/24/16/77/958241677.db2.gz	NYLRQMHASMYKAC-LFGUQSLTSA-N	1	0	360.502	1.598	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3nonc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093474780	958250394	/nfs/dbraw/zinc/25/03/94/958250394.db2.gz	WSIUOVILESWMMI-RWQQGDIJSA-N	1	0	362.474	1.463	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3coc(CCC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093475687	958253209	/nfs/dbraw/zinc/25/32/09/958253209.db2.gz	ZXWVIRFSBLLYEM-ODZKNYGOSA-N	1	0	359.470	1.840	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cccc(OC)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093477055	958255422	/nfs/dbraw/zinc/25/54/22/958255422.db2.gz	FXGQYYJFXSIKED-WKDRNLAYSA-N	1	0	370.493	1.837	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cccc(OC)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093477052	958255630	/nfs/dbraw/zinc/25/56/30/958255630.db2.gz	FXGQYYJFXSIKED-CZAYHTPWSA-N	1	0	370.493	1.837	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cc(C4CC4)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093452662	958259275	/nfs/dbraw/zinc/25/92/75/958259275.db2.gz	MCFXOPYQZVYBNB-QCFAMHMHSA-N	1	0	370.497	1.360	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccn(C)c(=O)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093452833	958259466	/nfs/dbraw/zinc/25/94/66/958259466.db2.gz	OMCGRECOYUNAGG-ZTRFORPCSA-N	1	0	359.470	1.151	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(Cl)cn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093454644	958269430	/nfs/dbraw/zinc/26/94/30/958269430.db2.gz	BJUDBZVSBNMISF-MYZZLAAOSA-N	1	0	363.889	1.891	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccc(OC)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093458269	958283320	/nfs/dbraw/zinc/28/33/20/958283320.db2.gz	BRPGCUUPGNXYKH-UKAVVXHISA-N	1	0	371.481	1.232	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(COC)o3)[C@H]2C(C)C)C[C@H]1O	ZINC001093458647	958284243	/nfs/dbraw/zinc/28/42/43/958284243.db2.gz	OPKQFFJYOONOMP-HBXLWWENSA-N	1	0	360.454	1.639	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccnc3N(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093478274	958293845	/nfs/dbraw/zinc/29/38/45/958293845.db2.gz	CXHDNJLEDWQSGW-NEYJZJCJSA-N	1	0	370.497	1.361	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cccc(F)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093479946	958300157	/nfs/dbraw/zinc/30/01/57/958300157.db2.gz	WEXKVWHNJHFCNQ-QCFAMHMHSA-N	1	0	358.457	1.968	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)CC[NH+]2CCCCC2)C[C@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001093481492	958307260	/nfs/dbraw/zinc/30/72/60/958307260.db2.gz	XEYDYKNVOZNXCI-LFGUQSLTSA-N	1	0	362.518	1.352	20	30		FDEDRO
C#CCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@H]2CC[C@@H](C)O2)CC1	ZINC001093489608	958311241	/nfs/dbraw/zinc/31/12/41/958311241.db2.gz	DYPHAISXBCSNGK-RSPOEFSDSA-N	1	0	359.514	1.717	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093622803	958357536	/nfs/dbraw/zinc/35/75/36/958357536.db2.gz	AGVOFOGTAUDQPF-UKRRQHHQSA-N	1	0	356.451	1.751	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1C	ZINC001093635012	958398356	/nfs/dbraw/zinc/39/83/56/958398356.db2.gz	HPNPJDBJUIIBRR-CRAIPNDOSA-N	1	0	367.453	1.648	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1cccc(C(N)=O)c1)C2	ZINC001110148159	958492929	/nfs/dbraw/zinc/49/29/29/958492929.db2.gz	LYQGMXIMZITFFV-NJAFHUGGSA-N	1	0	357.454	1.852	20	30		FDEDRO
Cc1ccoc1-c1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)o1	ZINC001093673811	958518817	/nfs/dbraw/zinc/51/88/17/958518817.db2.gz	YSAUFAXITNLYHE-MGPQQGTHSA-N	1	0	357.414	1.982	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2cnnn2-c2ccccc2)[C@H](C)C1	ZINC001093678448	958531964	/nfs/dbraw/zinc/53/19/64/958531964.db2.gz	LBDITJBBNMNZIK-ARFHVFGLSA-N	1	0	352.442	1.611	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C)c1nnnn1C1CC1	ZINC001093699707	958565091	/nfs/dbraw/zinc/56/50/91/958565091.db2.gz	IFSOAMNYSRBYNG-MBNYWOFBSA-N	1	0	368.445	1.267	20	30		FDEDRO
C=CCN1CC[C@H](N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+]2CCCC2)C3)C1=O	ZINC001110148320	958569894	/nfs/dbraw/zinc/56/98/94/958569894.db2.gz	UPHJCPWKDMGFSW-XWSJACJDSA-N	1	0	374.529	1.371	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2COC(=O)C2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093714704	958578793	/nfs/dbraw/zinc/57/87/93/958578793.db2.gz	ASDCUWXNNJSZIB-RVKKMQEKSA-N	1	0	355.438	1.696	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)Cc3cccnc3)C[C@H]2C)C1=O	ZINC001093715893	958584806	/nfs/dbraw/zinc/58/48/06/958584806.db2.gz	COWLWVFKUCTOKG-KBAYOESNSA-N	1	0	356.470	1.095	20	30		FDEDRO
CCn1c(C)nnc1C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC001093722630	958599243	/nfs/dbraw/zinc/59/92/43/958599243.db2.gz	WMIDTMRZLILOPA-TZMCWYRMSA-N	1	0	355.446	1.304	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3ccoc3CC)C[C@H]2C)C1=O	ZINC001093746327	958662422	/nfs/dbraw/zinc/66/24/22/958662422.db2.gz	QXUJIPFYINFSIF-BFYDXBDKSA-N	1	0	359.470	1.927	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093765036	958709695	/nfs/dbraw/zinc/70/96/95/958709695.db2.gz	RKPUVXSIJZCWEA-ZIAGYGMSSA-N	1	0	357.483	1.780	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CC)[C@H](C)C1	ZINC001093778896	958875731	/nfs/dbraw/zinc/87/57/31/958875731.db2.gz	OHHQBTCKHMOJQE-VQHPVUNQSA-N	1	0	361.490	1.463	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2scnc2C)[C@H](C)C1	ZINC001093833194	958928286	/nfs/dbraw/zinc/92/82/86/958928286.db2.gz	XQJMLTBEZNAWNR-OIISXLGYSA-N	1	0	360.527	1.733	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093833097	958928488	/nfs/dbraw/zinc/92/84/88/958928488.db2.gz	RHOJEQYAPMUUOE-OHQAAIJDSA-N	1	0	357.454	1.546	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3onc(C)c3C)C[C@H]2C)C1=O	ZINC001093847384	958972016	/nfs/dbraw/zinc/97/20/16/958972016.db2.gz	LQUNGTUIIRTRHR-DAXOMENPSA-N	1	0	360.458	1.376	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)CC(C)(C)C)C1	ZINC001197724963	972396572	/nfs/dbraw/zinc/39/65/72/972396572.db2.gz	ZJQNBAVMSPNWMP-GVDBMIGSSA-N	1	0	367.534	1.835	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN(C)C2=O)C1	ZINC001197752783	972415601	/nfs/dbraw/zinc/41/56/01/972415601.db2.gz	UVMLQOAXNPHULE-GVDBMIGSSA-N	1	0	353.507	1.377	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)c3nncn3C)[C@H](C)C2)cc1	ZINC001093957016	959348443	/nfs/dbraw/zinc/34/84/43/959348443.db2.gz	KPHCCGLPKXQFRG-RVKKMQEKSA-N	1	0	351.454	1.855	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001093964314	959373637	/nfs/dbraw/zinc/37/36/37/959373637.db2.gz	RUCHCUSWUWEBNW-WQVCFCJDSA-N	1	0	358.417	1.018	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)Cc3cncc(C)c3)C[C@H]2C)C1=O	ZINC001093940527	959410948	/nfs/dbraw/zinc/41/09/48/959410948.db2.gz	QBQWYQWEWCFNOU-QRQLOZEOSA-N	1	0	370.497	1.404	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093975251	959520314	/nfs/dbraw/zinc/52/03/14/959520314.db2.gz	GHMCLKAMQCWEFP-ZTFGCOKTSA-N	1	0	354.454	1.221	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001094055125	959645673	/nfs/dbraw/zinc/64/56/73/959645673.db2.gz	JOXXVBVJWRANCT-CZUORRHYSA-N	1	0	370.432	1.632	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nncn3C)[C@H](C)C2)cc1	ZINC001094093601	959763747	/nfs/dbraw/zinc/76/37/47/959763747.db2.gz	XOVRARXFJZYUMO-NVXWUHKLSA-N	1	0	367.453	1.325	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C3(C)CCOCC3)C[C@H]2C)C1=O	ZINC001094113854	959802855	/nfs/dbraw/zinc/80/28/55/959802855.db2.gz	GQGLBDWJFGQWMX-BRWVUGGUSA-N	1	0	363.502	1.274	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccncn2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001094119284	959816694	/nfs/dbraw/zinc/81/66/94/959816694.db2.gz	RHUVZRXHUQYNGJ-CZUORRHYSA-N	1	0	353.401	1.985	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3nc(C)oc3C)C[C@H]2C)C1=O	ZINC001094129270	959842902	/nfs/dbraw/zinc/84/29/02/959842902.db2.gz	CBEDVSOVQWTFLW-WQVCFCJDSA-N	1	0	360.458	1.376	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cnnn3CC)[C@H](C)C2)nc1	ZINC001094171755	959969192	/nfs/dbraw/zinc/96/91/92/959969192.db2.gz	CRRAVJTYGXDACF-GDBMZVCRSA-N	1	0	352.442	1.172	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nnc(CC)s3)[C@H](C)C2)cn1	ZINC001094174299	959977182	/nfs/dbraw/zinc/97/71/82/959977182.db2.gz	DTKSCPUGIQWBHS-UKRRQHHQSA-N	1	0	369.494	1.975	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1C	ZINC001094221515	960049954	/nfs/dbraw/zinc/04/99/54/960049954.db2.gz	ONAGNZGVSSFFHD-RHSMWYFYSA-N	1	0	367.453	1.798	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)COC	ZINC001110156068	960317373	/nfs/dbraw/zinc/31/73/73/960317373.db2.gz	QIYXZRLYDNZJEM-XGUBFFRZSA-N	1	0	352.479	1.007	20	30		FDEDRO
N#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCN2CCCC2=O)CC3)[nH]1	ZINC001094396209	960347342	/nfs/dbraw/zinc/34/73/42/960347342.db2.gz	OTUVHMLAIINOET-YLJYHZDGSA-N	1	0	369.469	1.483	20	30		FDEDRO
Cn1cnc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC#Cc2ccccc2)CC3)n1	ZINC001094408999	960391090	/nfs/dbraw/zinc/39/10/90/960391090.db2.gz	WWDWVZCGEJAVDN-WIYYLYMNSA-N	1	0	363.465	1.841	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cn(-c4cccnc4)nn3)CCC[C@@H]12	ZINC001094429601	960433552	/nfs/dbraw/zinc/43/35/52/960433552.db2.gz	OXZBFCZDUDRHPG-UYAOXDASSA-N	1	0	364.453	1.660	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCCS3(=O)=O)CCC[C@@H]12	ZINC001094433116	960443922	/nfs/dbraw/zinc/44/39/22/960443922.db2.gz	RMLPIWWOAHNNFX-JFIYKMOQSA-N	1	0	354.516	1.891	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCO[C@H]3c3nccn3C)CCC[C@@H]12	ZINC001094437501	960481225	/nfs/dbraw/zinc/48/12/25/960481225.db2.gz	VPAQTOBWAJYNPR-NEYJZJCJSA-N	1	0	370.497	1.882	20	30		FDEDRO
C=CCOc1ccccc1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC)CC2	ZINC001094451500	960531819	/nfs/dbraw/zinc/53/18/19/960531819.db2.gz	XDYGVOMWPAEAHI-WIYYLYMNSA-N	1	0	371.481	1.972	20	30		FDEDRO
C[N@H+](CCC(=O)Nc1c(C#N)cnc2c(C#N)cnn21)Cc1ccccc1	ZINC001181138986	960611178	/nfs/dbraw/zinc/61/11/78/960611178.db2.gz	OWDPZLBXFUCLGS-UHFFFAOYSA-N	1	0	359.393	1.933	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccnc4c3nnn4C)CCC[C@@H]12	ZINC001094498488	960617862	/nfs/dbraw/zinc/61/78/62/960617862.db2.gz	JDICEFGOWAKEEY-DNVCBOLYSA-N	1	0	352.442	1.361	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)CCC[C@@H]12	ZINC001094533333	960746798	/nfs/dbraw/zinc/74/67/98/960746798.db2.gz	DJIQJAQERFQUDS-ANTGDGSKSA-N	1	0	370.497	1.672	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3csc(-c4nc[nH]n4)n3)CCC[C@@H]12	ZINC001094533964	960748168	/nfs/dbraw/zinc/74/81/68/960748168.db2.gz	URGZDGHDHHTVAP-CXAGYDPISA-N	1	0	356.455	1.536	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C(=O)NC)nc3)CCC[C@@H]12	ZINC001094563790	960824071	/nfs/dbraw/zinc/82/40/71/960824071.db2.gz	OATLLWWJUDYIGK-YLJYHZDGSA-N	1	0	356.470	1.992	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3cn(C4CCOCC4)nn3)CCC[C@@H]12	ZINC001094557397	960910843	/nfs/dbraw/zinc/91/08/43/960910843.db2.gz	WALJRXKYHCXQQS-IEBWSBKVSA-N	1	0	359.474	1.790	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccnc(-n4cncn4)c3)CCC[C@@H]12	ZINC001094588472	960918022	/nfs/dbraw/zinc/91/80/22/960918022.db2.gz	PXPBBNPDFDNCHW-VQIMIIECSA-N	1	0	350.426	1.270	20	30		FDEDRO
C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1	ZINC000773947402	961116845	/nfs/dbraw/zinc/11/68/45/961116845.db2.gz	ILZKVQSGXLXKLU-INIZCTEOSA-N	1	0	370.497	1.883	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCC3CC3)C2)C1	ZINC001094736743	961129200	/nfs/dbraw/zinc/12/92/00/961129200.db2.gz	MQRWXGBIJSBWKL-JQHSSLGASA-N	1	0	361.486	1.169	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCC3CC3)C2)C1	ZINC001094795156	961177999	/nfs/dbraw/zinc/17/79/99/961177999.db2.gz	JLPCFZKAEULUOG-AYBZRNKSSA-N	1	0	361.486	1.169	20	30		FDEDRO
COC(=O)C1(Nc2cc(C#N)ncn2)CC[NH+](Cc2ccccc2)CC1	ZINC001171504603	961209078	/nfs/dbraw/zinc/20/90/78/961209078.db2.gz	ZFZHUMPOUGJIMD-UHFFFAOYSA-N	1	0	351.410	1.968	20	30		FDEDRO
C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C	ZINC000773948979	961228264	/nfs/dbraw/zinc/22/82/64/961228264.db2.gz	RCVYPZMQZPQQFC-INIZCTEOSA-N	1	0	356.470	1.556	20	30		FDEDRO
N#Cc1ccccc1C(=O)N1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1	ZINC001182015118	961374028	/nfs/dbraw/zinc/37/40/28/961374028.db2.gz	DJHSZSCONCZKRJ-LJQANCHMSA-N	1	0	366.465	1.621	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2sc([C@H]3CCOC3)nc2C)c1C#N	ZINC001182252896	961657961	/nfs/dbraw/zinc/65/79/61/961657961.db2.gz	MQVFHXKYQDUSAK-NSHDSACASA-N	1	0	374.470	1.955	20	30		FDEDRO
C[C@@H](CCCC#N)N1CC(=O)NC[C@]12CCN(C(=O)OC(C)(C)C)C2	ZINC001172495655	961685829	/nfs/dbraw/zinc/68/58/29/961685829.db2.gz	GWWISSDQMLTOLZ-KSSFIOAISA-N	1	0	350.463	1.880	20	30		FDEDRO
C[C@H](CCCC#N)[N@@H+]1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@@H]21	ZINC001172499910	961690042	/nfs/dbraw/zinc/69/00/42/961690042.db2.gz	VKWHQDTWCOLFAY-XYVMCAHJSA-N	1	0	357.458	1.768	20	30		FDEDRO
CC(C)C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C(=O)NO	ZINC001172978617	961862437	/nfs/dbraw/zinc/86/24/37/961862437.db2.gz	NXZRRPUHTKXNDN-IHRRRGAJSA-N	1	0	354.451	1.788	20	30		FDEDRO
C#CCCN1CCC[C@@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1=O	ZINC001172982340	961867015	/nfs/dbraw/zinc/86/70/15/961867015.db2.gz	XFPCXJOVMCGDPK-YESZJQIVSA-N	1	0	374.485	1.882	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC(C)(C(N)=O)CC2)C[C@H]1C#N	ZINC001172983484	961867084	/nfs/dbraw/zinc/86/70/84/961867084.db2.gz	GGJNNYJAMSDWCN-KGLIPLIRSA-N	1	0	350.463	1.865	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@]2(C)CCS(=O)(=O)C2)C[C@H]1C#N	ZINC001172984898	961868152	/nfs/dbraw/zinc/86/81/52/961868152.db2.gz	NEAFDJRPWPZGSJ-HEHGZKQESA-N	1	0	357.476	1.445	20	30		FDEDRO
CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C1CCC(CC#N)CC1	ZINC001173336389	962008679	/nfs/dbraw/zinc/00/86/79/962008679.db2.gz	XITDPKYSTQSIIT-UHFFFAOYSA-N	1	0	352.460	1.554	20	30		FDEDRO
C[C@H]1CN(O)C(=O)[C@H]1[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1	ZINC001173415467	962091213	/nfs/dbraw/zinc/09/12/13/962091213.db2.gz	IPTKKXWWPRGWPU-NHYWBVRUSA-N	1	0	351.834	1.770	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH+]3CCC4(CNC(=O)O4)CC3)CC2)cc1	ZINC001173433644	962154939	/nfs/dbraw/zinc/15/49/39/962154939.db2.gz	TZNJALCBESIKAA-UHFFFAOYSA-N	1	0	368.437	1.737	20	30		FDEDRO
C[NH+](C)C[C@H]1COCCN1C1CCN(C(=O)c2ccc(C#N)cc2)CC1	ZINC001173435221	962159276	/nfs/dbraw/zinc/15/92/76/962159276.db2.gz	ZRJLMKXPNDTSDT-IBGZPJMESA-N	1	0	356.470	1.425	20	30		FDEDRO
CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1	ZINC000774488344	962242921	/nfs/dbraw/zinc/24/29/21/962242921.db2.gz	ARGQDTFYXOUIGR-UHFFFAOYSA-N	1	0	362.405	1.656	20	30		FDEDRO
CCOC(=O)CC1([NH3+])CCN(C(=O)Cc2c[nH]c3cccc(C#N)c23)CC1	ZINC001182586802	962326476	/nfs/dbraw/zinc/32/64/76/962326476.db2.gz	PXWSDKWCQPVMQI-UHFFFAOYSA-N	1	0	368.437	1.855	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCO1	ZINC000774546738	962541489	/nfs/dbraw/zinc/54/14/89/962541489.db2.gz	XMTLFJCZHPCQNC-RTBURBONSA-N	1	0	369.465	1.064	20	30		FDEDRO
C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C[C@H]1C	ZINC001182869750	962615840	/nfs/dbraw/zinc/61/58/40/962615840.db2.gz	TYZXPVUSSDHWAI-SOAMZJECSA-N	1	0	360.502	1.939	20	30		FDEDRO
C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCC(C)C	ZINC001110181672	963079004	/nfs/dbraw/zinc/07/90/04/963079004.db2.gz	KYSUISDLUYMYAP-BDXSIMOUSA-N	1	0	354.491	1.334	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc2c(c1)nnn2C	ZINC001110183367	963101408	/nfs/dbraw/zinc/10/14/08/963101408.db2.gz	SLWLGSURAPIROW-RGPZOAQRSA-N	1	0	369.469	1.781	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1	ZINC000650078382	1013401464	/nfs/dbraw/zinc/40/14/64/1013401464.db2.gz	AEXYXORVYGGPAM-CABCVRRESA-N	1	0	367.471	1.165	20	30		FDEDRO
C[C@@](CO)([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1cccc([N+](=O)[O-])c1	ZINC001175323808	963148700	/nfs/dbraw/zinc/14/87/00/963148700.db2.gz	PZLVVRIFSJDYOA-IRXDYDNUSA-N	1	0	363.414	1.463	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)N(C)C	ZINC001175629945	963242757	/nfs/dbraw/zinc/24/27/57/963242757.db2.gz	NNDWLNOUVLGCPO-BQFCYCMXSA-N	1	0	353.507	1.711	20	30		FDEDRO
CN1C[C@@H]2CN(C(=O)[C@H]3CCCCN3Cc3ccccc3C#N)C[C@@H]2C1=O	ZINC001183830974	963301254	/nfs/dbraw/zinc/30/12/54/963301254.db2.gz	KFANHPXULYMUKO-CEXWTWQISA-N	1	0	366.465	1.459	20	30		FDEDRO
C#C[C@H](NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)[C@@H]1CCCO1	ZINC000773557228	963392211	/nfs/dbraw/zinc/39/22/11/963392211.db2.gz	FFPYNGMUCMIIHO-ROUUACIJSA-N	1	0	362.518	1.417	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N1CCCC1=O)C2	ZINC001110194774	963436287	/nfs/dbraw/zinc/43/62/87/963436287.db2.gz	AITAWJYOFZBGBF-DFEOGRTESA-N	1	0	363.502	1.558	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)/C=C(/C)C1CC1)C2	ZINC001110344881	963468743	/nfs/dbraw/zinc/46/87/43/963468743.db2.gz	AQYOEDPRCCUXGA-PRLXVARMSA-N	1	0	360.458	1.076	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1	ZINC001184408592	963598234	/nfs/dbraw/zinc/59/82/34/963598234.db2.gz	PSNDTWRKIXBFPU-MJQMVNBJSA-N	1	0	361.486	1.193	20	30		FDEDRO
CC(C)(C)OC(=O)N(CCC#N)CC(=O)NCC12CC[NH+](CC1)CC2	ZINC001184860839	963740900	/nfs/dbraw/zinc/74/09/00/963740900.db2.gz	IUCUFYJXQWTRLS-UHFFFAOYSA-N	1	0	350.463	1.739	20	30		FDEDRO
C=CCOCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001177313666	963755533	/nfs/dbraw/zinc/75/55/33/963755533.db2.gz	IIHCBZMTOLZEJB-IAGOWNOFSA-N	1	0	353.463	1.853	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CCC[NH2+][C@@H](C)C(=O)NC)CC1CCCC1	ZINC001177423903	963824908	/nfs/dbraw/zinc/82/49/08/963824908.db2.gz	WKNQODDOOTZDQS-JQHSSLGASA-N	1	0	365.518	1.711	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@H]1C1CC1	ZINC001177436692	963842619	/nfs/dbraw/zinc/84/26/19/963842619.db2.gz	GGJNFQFXNONFKD-RBUKOAKNSA-N	1	0	359.514	1.780	20	30		FDEDRO
C=CCCc1ccc(C(=O)N2CCN(c3ncccc3N)CC2)c(=O)[nH]1	ZINC001185358643	963914884	/nfs/dbraw/zinc/91/48/84/963914884.db2.gz	LBSGASHIGGWHAZ-UHFFFAOYSA-N	1	0	353.426	1.845	20	30		FDEDRO
O=C(C#Cc1cccnc1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001177776914	963949072	/nfs/dbraw/zinc/94/90/72/963949072.db2.gz	HZIRZEMOZXFIIO-WOJBJXKFSA-N	1	0	362.433	1.330	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCOc2ccccc2OC)C1	ZINC001185759291	964090375	/nfs/dbraw/zinc/09/03/75/964090375.db2.gz	QHZNMLFSFGNAEL-ZACQAIPSSA-N	1	0	360.454	1.856	20	30		FDEDRO
C=CCC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)nn1	ZINC001185954289	964214242	/nfs/dbraw/zinc/21/42/42/964214242.db2.gz	JSTQXIFIMMTKKR-BRWVUGGUSA-N	1	0	369.473	1.634	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCCCCCC[NH2+][C@H]1CCN(CC)C1=O	ZINC001178513285	964264103	/nfs/dbraw/zinc/26/41/03/964264103.db2.gz	DKVSZFZCCNQBBZ-SQNIBIBYSA-N	1	0	365.518	1.855	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]CCCCCCNC(=O)[C@]12C[C@H]1COC2	ZINC001178531632	964281609	/nfs/dbraw/zinc/28/16/09/964281609.db2.gz	PPVPKMBUNUZEJZ-LPHOPBHVSA-N	1	0	364.490	1.051	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC001178586049	964296333	/nfs/dbraw/zinc/29/63/33/964296333.db2.gz	GYTKKUOJCMEXLZ-GJZGRUSLSA-N	1	0	353.463	1.389	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cn2ncnn2)C1	ZINC001186188585	964337745	/nfs/dbraw/zinc/33/77/45/964337745.db2.gz	FVRPNTKWEPAPAO-NVXWUHKLSA-N	1	0	358.421	1.220	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@]2(C)CCNC2=O)C1	ZINC001186196564	964345104	/nfs/dbraw/zinc/34/51/04/964345104.db2.gz	NCIXORYFLBLTFC-BLIXFSHQSA-N	1	0	371.456	1.507	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H](O)CN(C(=O)OC(C)(C)C)C1	ZINC001178665111	964350216	/nfs/dbraw/zinc/35/02/16/964350216.db2.gz	BWRKWXAWJPAMFE-PMPSAXMXSA-N	1	0	367.490	1.371	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2c2ccccc2)C1	ZINC001186243631	964370395	/nfs/dbraw/zinc/37/03/95/964370395.db2.gz	MPJFFZDNNSNTGQ-LMMKCTJWSA-N	1	0	357.454	1.257	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2C=C)CC12CCOCC2	ZINC001186374255	964481965	/nfs/dbraw/zinc/48/19/65/964481965.db2.gz	UQYPESNOQJOFDH-QRVBRYPASA-N	1	0	360.498	1.836	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC12CCOCC2	ZINC001186423737	964502625	/nfs/dbraw/zinc/50/26/25/964502625.db2.gz	AMSTYPMTIWFOJR-ZSYWTGECSA-N	1	0	360.498	1.670	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000957569401	1013505878	/nfs/dbraw/zinc/50/58/78/1013505878.db2.gz	DIYJKQMMAXQRFK-OHDICMOHSA-N	1	0	353.466	1.585	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC1CC(C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC000962314141	1013520883	/nfs/dbraw/zinc/52/08/83/1013520883.db2.gz	JSCMBDZKPXDDHX-ZGUYJTEBSA-N	1	0	354.454	1.267	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CCO[C@H]1C1CC1	ZINC001179089453	964710899	/nfs/dbraw/zinc/71/08/99/964710899.db2.gz	BYJKKRHODUDBPJ-NXHRZFHOSA-N	1	0	363.502	1.206	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]1CCCO1	ZINC000773803982	964758185	/nfs/dbraw/zinc/75/81/85/964758185.db2.gz	JDOJGSDXMNLKLH-MOPGFXCFSA-N	1	0	369.465	1.560	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@@H](C)C(=O)N(CC)CC(=C)C	ZINC001110384942	964781634	/nfs/dbraw/zinc/78/16/34/964781634.db2.gz	FSKYCEWIDTXOFT-MLHJIOFPSA-N	1	0	363.502	1.724	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cccn3)[C@@H]2C1	ZINC001186879316	964800139	/nfs/dbraw/zinc/80/01/39/964800139.db2.gz	MWSXRBQINOVQEY-ZWKOTPCHSA-N	1	0	371.485	1.007	20	30		FDEDRO
N#CCSCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)c3ccccc3F)C[C@H]21	ZINC001186940730	964856343	/nfs/dbraw/zinc/85/63/43/964856343.db2.gz	UNDFMDOZXHMOFN-IAOVAPTHSA-N	1	0	363.458	1.649	20	30		FDEDRO
N#CCSCC(=O)N1CC[C@H]2C[N@H+](CCOC[C@H]3CCCCO3)C[C@H]21	ZINC001186940955	964856632	/nfs/dbraw/zinc/85/66/32/964856632.db2.gz	VSYIFZDCZYSQSO-GVDBMIGSSA-N	1	0	367.515	1.362	20	30		FDEDRO
N#CCSCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)Cc3ccccc3)C[C@H]21	ZINC001186917256	964876977	/nfs/dbraw/zinc/87/69/77/964876977.db2.gz	KNAIUJLNPMVAJU-OKZBNKHCSA-N	1	0	359.495	1.379	20	30		FDEDRO
C[NH+]=C(NCCC1CCOCC1)N1CCS(=O)(=O)C2(CCCCC2)C1	ZINC000262794150	964889772	/nfs/dbraw/zinc/88/97/72/964889772.db2.gz	PEAYDYFRCPOKCA-UHFFFAOYSA-N	1	0	371.547	1.812	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CCO[C@H]1C(=C)C	ZINC001179797060	964992041	/nfs/dbraw/zinc/99/20/41/964992041.db2.gz	JUNNJTWDSHQLRO-BZSNNMDCSA-N	1	0	363.502	1.372	20	30		FDEDRO
C=CCCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)COC3CCOCC3)C[C@H]21	ZINC001187198719	965081323	/nfs/dbraw/zinc/08/13/23/965081323.db2.gz	HXTNYWUCDXNABU-LZLYRXPVSA-N	1	0	352.475	1.042	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC000957591826	1013556938	/nfs/dbraw/zinc/55/69/38/1013556938.db2.gz	YCCSOYWLMZYHCW-CZUORRHYSA-N	1	0	357.458	1.337	20	30		FDEDRO
COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)Nc1cc(C#N)ccn1	ZINC001180406102	965308401	/nfs/dbraw/zinc/30/84/01/965308401.db2.gz	KUFVFCIMCSRFIW-DLBZAZTESA-N	1	0	364.405	1.813	20	30		FDEDRO
C#Cc1cc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)OC)ccn1	ZINC001180407550	965310985	/nfs/dbraw/zinc/31/09/85/965310985.db2.gz	XKAKLKHACYFKJI-RBUKOAKNSA-N	1	0	363.417	1.345	20	30		FDEDRO
C[NH+](C)C[C@H]1COCCN1C(=O)C1CCN(c2ccccc2C#N)CC1	ZINC001180506377	965371266	/nfs/dbraw/zinc/37/12/66/965371266.db2.gz	CAZBKOIVPZSIKI-SFHVURJKSA-N	1	0	356.470	1.564	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cccnc3)[C@@H]2C1	ZINC001187529694	965470721	/nfs/dbraw/zinc/47/07/21/965470721.db2.gz	DUQMYSSHVWSEKC-RBUKOAKNSA-N	1	0	368.481	1.357	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C)c(F)c3)C[C@H]21	ZINC001187591604	965511328	/nfs/dbraw/zinc/51/13/28/965511328.db2.gz	SLSHVNWLXCXMHO-FUHWJXTLSA-N	1	0	357.429	1.306	20	30		FDEDRO
CCC(C)(C)NC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1	ZINC001187598178	965516798	/nfs/dbraw/zinc/51/67/98/965516798.db2.gz	GSSRAZHUEYTPGH-JKIFEVAISA-N	1	0	371.485	1.726	20	30		FDEDRO
CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1	ZINC001187598293	965519001	/nfs/dbraw/zinc/51/90/01/965519001.db2.gz	KOYXYTDHTSZPSA-JKIFEVAISA-N	1	0	357.458	1.290	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)c3cccc(C)c3)C[C@H]21	ZINC001187598294	965519329	/nfs/dbraw/zinc/51/93/29/965519329.db2.gz	KRURMNMNQMNQEZ-NZSAHSFTSA-N	1	0	353.466	1.728	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](CCOCC(F)(F)F)C[C@H]32)c[nH]1	ZINC001187598233	965520175	/nfs/dbraw/zinc/52/01/75/965520175.db2.gz	INRHWRODZWIDQV-SMDDNHRTSA-N	1	0	356.348	1.612	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[C@H](C)OC)[C@@H]2C1	ZINC001187638698	965587478	/nfs/dbraw/zinc/58/74/78/965587478.db2.gz	AMXPSFZTMCXDFJ-OKZBNKHCSA-N	1	0	363.502	1.535	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)N3CCC(C)CC3)C[C@H]21	ZINC001187714927	965657537	/nfs/dbraw/zinc/65/75/37/965657537.db2.gz	VRHCZHWEXFGNSF-GBESFXJTSA-N	1	0	359.514	1.970	20	30		FDEDRO
COc1cccc([C@@H](O)C[N@@H+]2C[C@@H]3CCN(C(=O)C#CC(C)C)[C@@H]3C2)c1	ZINC001187849171	965788623	/nfs/dbraw/zinc/78/86/23/965788623.db2.gz	LLFOEOKYBYNTMB-SXLOBPIMSA-N	1	0	356.466	1.921	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cccc4c3OCCO4)C[C@H]21	ZINC001187865446	965810137	/nfs/dbraw/zinc/81/01/37/965810137.db2.gz	OMFRHTUBOFFGSG-SOLBZPMBSA-N	1	0	370.449	1.529	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21	ZINC001187881898	965880240	/nfs/dbraw/zinc/88/02/40/965880240.db2.gz	GUCQIUCBGZYWOC-XKGZKEIXSA-N	1	0	367.449	1.660	20	30		FDEDRO
C[NH+]1CCN(Cc2ccccc2C(=O)N/C=C/C(=O)C(F)(F)F)CC1	ZINC001188366007	966238560	/nfs/dbraw/zinc/23/85/60/966238560.db2.gz	QCJZTAQDENHUEA-VOTSOKGWSA-N	1	0	355.360	1.809	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1	ZINC001188562765	966396697	/nfs/dbraw/zinc/39/66/97/966396697.db2.gz	RXCUWTACEHLGNV-RLFYNMQTSA-N	1	0	367.453	1.171	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCn3ncn(C)c3=O)[C@@H]2C1	ZINC001188653264	966457541	/nfs/dbraw/zinc/45/75/41/966457541.db2.gz	XWPQQTSRUFGFER-DLBZAZTESA-N	1	0	363.506	1.475	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2CNC(=O)[C@@H]2C[C@H]2C2CC2)CC1	ZINC000964515331	1013667303	/nfs/dbraw/zinc/66/73/03/1013667303.db2.gz	QRGMLLQGYDPPMS-HSALFYBXSA-N	1	0	371.525	1.875	20	30		FDEDRO
C=C1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCOCCNC(C)=O)C[C@H]32)CC1	ZINC001189041742	966713839	/nfs/dbraw/zinc/71/38/39/966713839.db2.gz	XLADFSACQJDFEK-RBUKOAKNSA-N	1	0	363.502	1.418	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1	ZINC001189118526	966747223	/nfs/dbraw/zinc/74/72/23/966747223.db2.gz	YMHOAEDBRXPFBH-VVLHAWIVSA-N	1	0	351.491	1.522	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCN(C)S3(=O)=O)[C@@H]2C1	ZINC001189391239	966936309	/nfs/dbraw/zinc/93/63/09/966936309.db2.gz	RRMSNZJTBRTMHI-GVDBMIGSSA-N	1	0	371.547	1.523	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)COCc3ncnn3C)[C@@H]2C1	ZINC001189612616	967112760	/nfs/dbraw/zinc/11/27/60/967112760.db2.gz	ZCBIMCSONYSGPW-DLBZAZTESA-N	1	0	361.490	1.611	20	30		FDEDRO
C[C@H](C#N)OCCN1CC[N@H+](CCO[C@@H](C)C#N)Cc2cc(O)ccc21	ZINC000852253369	967154813	/nfs/dbraw/zinc/15/48/13/967154813.db2.gz	SFNTVXIWYPNDNV-JKSUJKDBSA-N	1	0	358.442	1.872	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)NC(=O)CC(C)(C)C)[C@@H]2C1	ZINC001189764193	967247384	/nfs/dbraw/zinc/24/73/84/967247384.db2.gz	RPJAAUCSKPCVTK-YESZJQIVSA-N	1	0	363.502	1.110	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)NC(=O)CC(C)(C)C)[C@@H]2C1	ZINC001189764192	967247736	/nfs/dbraw/zinc/24/77/36/967247736.db2.gz	RPJAAUCSKPCVTK-IXDOHACOSA-N	1	0	363.502	1.110	20	30		FDEDRO
CO[C@@]1(CO)CCC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1	ZINC000852410302	967281382	/nfs/dbraw/zinc/28/13/82/967281382.db2.gz	AFORSHFIGBIMHL-QRWLVFNGSA-N	1	0	366.421	1.697	20	30		FDEDRO
C#CCC[NH+]1CCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1	ZINC000776594450	967294151	/nfs/dbraw/zinc/29/41/51/967294151.db2.gz	HCXHLPANHNRGGO-KRWDZBQOSA-N	1	0	359.433	1.865	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c(C)nn(CC)c3C)[C@@H]2C1	ZINC001189835386	967295207	/nfs/dbraw/zinc/29/52/07/967295207.db2.gz	JUIDEQRXSYFISL-PKOBYXMFSA-N	1	0	360.502	1.798	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]32)nc1	ZINC001189844090	967344598	/nfs/dbraw/zinc/34/45/98/967344598.db2.gz	PORBOAPYYPLTHU-VDZJLULYSA-N	1	0	368.481	1.465	20	30		FDEDRO
C#CCNC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1	ZINC000852472218	967356008	/nfs/dbraw/zinc/35/60/08/967356008.db2.gz	ALTYWCVLKMILQU-UONOGXRCSA-N	1	0	359.392	1.391	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CC2CC1(CNC(=O)OC(C)(C)C)C2	ZINC000852526590	967396473	/nfs/dbraw/zinc/39/64/73/967396473.db2.gz	CTSDOSKVXOMVIB-UHFFFAOYSA-N	1	0	350.463	1.738	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC4(CCC4)CO3)[C@@H]2C1	ZINC001189898874	967415717	/nfs/dbraw/zinc/41/57/17/967415717.db2.gz	RZVYSOBZWKAPDC-GBESFXJTSA-N	1	0	360.498	1.908	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CNS(=O)(=O)CCCC)[C@@H]2C1	ZINC001189969932	967424507	/nfs/dbraw/zinc/42/45/07/967424507.db2.gz	QISIRCYJNDWZRP-IXDOHACOSA-N	1	0	371.547	1.593	20	30		FDEDRO
CCc1cccc(OCC(=O)N2CC[C@H]3C[N@H+](CC#CCOC)C[C@H]32)c1	ZINC001190051246	967518851	/nfs/dbraw/zinc/51/88/51/967518851.db2.gz	VCFDZYYKCSAJHL-AZUAARDMSA-N	1	0	356.466	1.810	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3ccccc3OC)[C@@H]2C1	ZINC001190058653	967521270	/nfs/dbraw/zinc/52/12/70/967521270.db2.gz	HWBWJTDAAORKBC-RBUKOAKNSA-N	1	0	356.466	1.810	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCCN3C(=O)CNC3=O)[C@@H]2C1	ZINC001190108099	967543950	/nfs/dbraw/zinc/54/39/50/967543950.db2.gz	OARXKFFECSKNLJ-OWCLPIDISA-N	1	0	362.474	1.206	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)[C@@H]2C1	ZINC001190133214	967594012	/nfs/dbraw/zinc/59/40/12/967594012.db2.gz	CJVNLGRYABPXFS-DOTOQJQBSA-N	1	0	360.458	1.077	20	30		FDEDRO
C#CCNC(=O)CN1CCC(Cc2nc(C3(OC)CCCC3)no2)CC1	ZINC000852787998	967606773	/nfs/dbraw/zinc/60/67/73/967606773.db2.gz	ZSPVMGMTHKFEFH-UHFFFAOYSA-N	1	0	360.458	1.489	20	30		FDEDRO
CCCN(CC(=O)Nc1ccccc1OC)C(=O)C#CC1CC[NH2+]CC1	ZINC000852801911	967618011	/nfs/dbraw/zinc/61/80/11/967618011.db2.gz	FALPJTIVNSYEOZ-UHFFFAOYSA-N	1	0	357.454	1.875	20	30		FDEDRO
[NH3+]C[C@@H]1CCCc2ccc(C(=O)NCCNC(=O)C3N=CC=CC3=O)cc21	ZINC000852807681	967622214	/nfs/dbraw/zinc/62/22/14/967622214.db2.gz	XMAWCCZBHYTQOE-LZICOFPGSA-N	1	0	368.437	1.321	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCC(C(=O)NCCc2cccs2)CC1	ZINC000852823642	967635382	/nfs/dbraw/zinc/63/53/82/967635382.db2.gz	RNVUJFNOONWRDV-UHFFFAOYSA-N	1	0	373.522	1.648	20	30		FDEDRO
N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(Br)cc(N2CCCC2)c1	ZINC000852828045	967638738	/nfs/dbraw/zinc/63/87/38/967638738.db2.gz	UEFJETFMECVYQJ-DOMZBBRYSA-N	1	0	363.259	1.891	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3nccs3)[C@@H]2C1	ZINC001190227578	967642927	/nfs/dbraw/zinc/64/29/27/967642927.db2.gz	NGCYEGFPIUSJRA-QLFBSQMISA-N	1	0	362.499	1.299	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NCc1nnc2ccc(C(F)(F)F)cn21	ZINC000852856806	967660749	/nfs/dbraw/zinc/66/07/49/967660749.db2.gz	GGJDCWGWHKNDEG-UHFFFAOYSA-N	1	0	351.332	1.367	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NCc1ccc(N2CCC(CO)CC2)cc1	ZINC000852860610	967666316	/nfs/dbraw/zinc/66/63/16/967666316.db2.gz	SVGQEZYKPJTAEG-UHFFFAOYSA-N	1	0	355.482	1.515	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)Nc1ccccc1C(=O)NCc1cccnc1	ZINC000852862575	967668602	/nfs/dbraw/zinc/66/86/02/967668602.db2.gz	BSLRHMMMDGXJCW-UHFFFAOYSA-N	1	0	362.433	1.953	20	30		FDEDRO
C[NH2+]CCCC(=O)N1CCC(NC(=O)c2ccc(C=NOC)cc2)CC1	ZINC000852919128	967709189	/nfs/dbraw/zinc/70/91/89/967709189.db2.gz	NDTHBBBRAYVDFJ-UHFFFAOYSA-N	1	0	360.458	1.387	20	30		FDEDRO
CCOc1cccc(CC(=O)N2CC[C@H]3C[N@H+](CC#CCOC)C[C@H]32)c1	ZINC001190371198	967804467	/nfs/dbraw/zinc/80/44/67/967804467.db2.gz	QCLCWHBVJGZDOW-AZUAARDMSA-N	1	0	356.466	1.810	20	30		FDEDRO
N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cccc(C4CC4)c3)[C@@H]2C1	ZINC001190377563	967811015	/nfs/dbraw/zinc/81/10/15/967811015.db2.gz	DORQRNIUNDDLKK-ZWKOTPCHSA-N	1	0	352.438	1.350	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCCCCOCC)[C@@H]2C1	ZINC001190417200	967831277	/nfs/dbraw/zinc/83/12/77/967831277.db2.gz	RYPLZGKGICHVHD-FGTMMUONSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]2C[N@H+](CCCO[C@H]3CCOC3)C[C@H]21	ZINC001190439576	967850054	/nfs/dbraw/zinc/85/00/54/967850054.db2.gz	APCYZPIMTFUMSD-OKZBNKHCSA-N	1	0	352.475	1.307	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)c3c(C)nn(C)c3C)[C@@H]2C1	ZINC001190496063	967930838	/nfs/dbraw/zinc/93/08/38/967930838.db2.gz	XTVHTZFAFZRTPI-JCGIZDLHSA-N	1	0	360.502	1.876	20	30		FDEDRO
C#CCCCOc1cccnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000853268053	967951263	/nfs/dbraw/zinc/95/12/63/967951263.db2.gz	MVMYLNZTBUXEPV-UHFFFAOYSA-N	1	0	356.470	1.618	20	30		FDEDRO
C[NH+](C)CCCNC(=S)NN=Cc1ccc(O[C@H]2CCOC2)cc1	ZINC000853306135	967964663	/nfs/dbraw/zinc/96/46/63/967964663.db2.gz	QJFWCQZTFSJWRO-INIZCTEOSA-N	1	0	350.488	1.604	20	30		FDEDRO
C#CCCN(CCOC)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000853361815	967985181	/nfs/dbraw/zinc/98/51/81/967985181.db2.gz	PMPLDRFUNGHSFN-UHFFFAOYSA-N	1	0	372.513	1.880	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccccc2C)C1	ZINC001190723841	968046932	/nfs/dbraw/zinc/04/69/32/968046932.db2.gz	HLAGCHQPKJKSAZ-QZTJIDSGSA-N	1	0	359.470	1.195	20	30		FDEDRO
C#CCCN(CCOC)C(=O)NCc1cccnc1N1CC[NH+](C)CC1	ZINC000853504941	968060320	/nfs/dbraw/zinc/06/03/20/968060320.db2.gz	PWPRKIHBYNEATJ-UHFFFAOYSA-N	1	0	359.474	1.015	20	30		FDEDRO
Cc1nnc(-c2cccc(C#N)c2)n1CN1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000853554397	968111999	/nfs/dbraw/zinc/11/19/99/968111999.db2.gz	XGCKRWXXTZJPNH-GOSISDBHSA-N	1	0	352.442	1.489	20	30		FDEDRO
Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CC[C@H](N(C)C(=O)N(C)C)C1	ZINC000853584164	968143405	/nfs/dbraw/zinc/14/34/05/968143405.db2.gz	MHAXJUZKCQGYRS-KRWDZBQOSA-N	1	0	367.457	1.770	20	30		FDEDRO
C[C@@]1(C#N)CCN(CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)C1	ZINC000853596343	968165490	/nfs/dbraw/zinc/16/54/90/968165490.db2.gz	FFAHJQKFISNQLH-QKLQHJQFSA-N	1	0	352.438	1.296	20	30		FDEDRO
C#CCCN(CCOC)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1	ZINC000853790972	968323491	/nfs/dbraw/zinc/32/34/91/968323491.db2.gz	ASZYBIDDKHZIED-UHFFFAOYSA-N	1	0	364.534	1.618	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@@H](c2ccccc2)C2CCOCC2)CC1	ZINC000775442356	968344627	/nfs/dbraw/zinc/34/46/27/968344627.db2.gz	ZDSPAPUACWTAEM-NRFANRHFSA-N	1	0	355.482	1.521	20	30		FDEDRO
COc1ccc(CNC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)cc1C#N	ZINC000853882598	968396823	/nfs/dbraw/zinc/39/68/23/968396823.db2.gz	MRQSISVYMNMJMF-SFHVURJKSA-N	1	0	372.469	1.963	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCc2scnc2C)C[C@H]1O	ZINC001191615276	968622228	/nfs/dbraw/zinc/62/22/28/968622228.db2.gz	VSBLVEKKFFDUTB-RRFJBIMHSA-N	1	0	353.488	1.137	20	30		FDEDRO
COCC[C@H](c1ccccc1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1	ZINC001192036728	968918604	/nfs/dbraw/zinc/91/86/04/968918604.db2.gz	CGCIMLYGNQLSHM-GUDVDZBRSA-N	1	0	368.437	1.439	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](OC)C2CCCC2)C[C@H]1O	ZINC001192054714	968933019	/nfs/dbraw/zinc/93/30/19/968933019.db2.gz	ZAIBCCZRDULKGY-KZNAEPCWSA-N	1	0	354.491	1.336	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCCc3ccccc3)C[C@H]2O)[nH]1	ZINC001192250019	969006205	/nfs/dbraw/zinc/00/62/05/969006205.db2.gz	ZOEPPSXOCFHZFW-RTBURBONSA-N	1	0	352.438	1.684	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCCOCc3ccccc3)C[C@H]2O)c[nH]1	ZINC001192298136	969049803	/nfs/dbraw/zinc/04/98/03/969049803.db2.gz	CDEWSLOLUQDFBI-RTBURBONSA-N	1	0	368.437	1.268	20	30		FDEDRO
CO[C@@H]1CCN(C(=O)c2ccc(C#N)o2)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21	ZINC001192676990	969227028	/nfs/dbraw/zinc/22/70/28/969227028.db2.gz	WUJDBEUVTVDOJY-RCCFBDPRSA-N	1	0	366.421	1.908	20	30		FDEDRO
COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2c2ccccc2)C1	ZINC001192795180	969303080	/nfs/dbraw/zinc/30/30/80/969303080.db2.gz	VBFHRENDEICNOJ-AQNXPRMDSA-N	1	0	356.466	1.947	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOC[C@@H]2CCCO2)[nH]1	ZINC001110450226	969303555	/nfs/dbraw/zinc/30/35/55/969303555.db2.gz	YCSPOIPCSMCHMO-ATLSCFEFSA-N	1	0	358.442	1.417	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1CN([C@@H](C)c2ccc(Cl)cc2)C[C@H]1O	ZINC001192878759	969327509	/nfs/dbraw/zinc/32/75/09/969327509.db2.gz	LHRVXFCNZFIDIK-IAOVAPTHSA-N	1	0	350.846	1.602	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CCOC)c2C)C1	ZINC001192930905	969387064	/nfs/dbraw/zinc/38/70/64/969387064.db2.gz	CNHWYUSMXKQQNZ-QZTJIDSGSA-N	1	0	364.490	1.359	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c(n2)CCCC3)C1	ZINC001193109842	969474718	/nfs/dbraw/zinc/47/47/18/969474718.db2.gz	DJYWVTMZXKZYFH-QZTJIDSGSA-N	1	0	362.518	1.894	20	30		FDEDRO
CCCCCCCCOCC(=O)N[C@@H]1C[N@H+](CCC[C@@H](C)O)C[C@H]1O	ZINC001193827635	969885037	/nfs/dbraw/zinc/88/50/37/969885037.db2.gz	DMLQEHCCOQHIOS-KZNAEPCWSA-N	1	0	358.523	1.686	20	30		FDEDRO
C=C[C@@H]1C[C@]1(NC(=O)c1cncc(N2CC[NH+](C)CC2)c1)C(=O)OCC	ZINC001193951087	969953308	/nfs/dbraw/zinc/95/33/08/969953308.db2.gz	BSKJFGWBTUHWRC-DNVCBOLYSA-N	1	0	358.442	1.071	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1O	ZINC001194191178	970044285	/nfs/dbraw/zinc/04/42/85/970044285.db2.gz	HDLHTPFRBDPEKX-QZTJIDSGSA-N	1	0	362.470	1.841	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C(=O)C#CC3CC3)CCC2(F)F)CC[N@@H+]1C	ZINC000957775217	1013940639	/nfs/dbraw/zinc/94/06/39/1013940639.db2.gz	LTTJEHWGMAKGIU-VNQPRFMTSA-N	1	0	367.440	1.340	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@H]1O	ZINC001194235294	970065360	/nfs/dbraw/zinc/06/53/60/970065360.db2.gz	JGKYNSZRXLZMHO-IAGOWNOFSA-N	1	0	362.449	1.089	20	30		FDEDRO
C=C[C@@H](O)C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C	ZINC000854988946	970086502	/nfs/dbraw/zinc/08/65/02/970086502.db2.gz	QILBRBUMZPFJPP-CQSZACIVSA-N	1	0	356.264	1.932	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(-c3cccnc3)n2)C1	ZINC001194424083	970166850	/nfs/dbraw/zinc/16/68/50/970166850.db2.gz	KESHICVHECDBQJ-FRFSOERESA-N	1	0	356.426	1.866	20	30		FDEDRO
C#Cc1cccc(NC(=O)NC(=O)C[NH2+][C@H](C(=O)N(C)CC)C(C)C)c1	ZINC001194520035	970202393	/nfs/dbraw/zinc/20/23/93/970202393.db2.gz	ZRUISHWGXDDSIA-KRWDZBQOSA-N	1	0	358.442	1.409	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C1	ZINC001194500549	970221659	/nfs/dbraw/zinc/22/16/59/970221659.db2.gz	OBOSMJZKVAQZRK-INMHGKMJSA-N	1	0	350.846	1.771	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC3(CCC3)[C@](F)(C(=O)OCC)C2)CC1	ZINC000855244809	970237669	/nfs/dbraw/zinc/23/76/69/970237669.db2.gz	WEJOHXBCKSHYLS-LJQANCHMSA-N	1	0	350.434	1.616	20	30		FDEDRO
C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CC#N)C1	ZINC000855256358	970244915	/nfs/dbraw/zinc/24/49/15/970244915.db2.gz	LAALHLJDNQVROL-CABCVRRESA-N	1	0	352.479	1.984	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CCOC)n2)C1	ZINC001194576488	970257716	/nfs/dbraw/zinc/25/77/16/970257716.db2.gz	RTXKYTYHBZQLBS-IAGOWNOFSA-N	1	0	350.463	1.051	20	30		FDEDRO
C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc(OC)c3ncccc23)C1	ZINC001194690460	970329381	/nfs/dbraw/zinc/32/93/81/970329381.db2.gz	HUKFTOAGIFGGNU-CQSZACIVSA-N	1	0	359.451	1.619	20	30		FDEDRO
CN(CCOCc1ccc(C#N)cc1)Cc1nc2c(cnn2C)c(=O)[nH]1	ZINC001194791259	970399612	/nfs/dbraw/zinc/39/96/12/970399612.db2.gz	HZWSQSGTYLSBTD-UHFFFAOYSA-N	1	0	352.398	1.589	20	30		FDEDRO
C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000855493734	970417598	/nfs/dbraw/zinc/41/75/98/970417598.db2.gz	IPMJNCVFDQCDMH-NRFANRHFSA-N	1	0	372.465	1.427	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2[C@H]2CCOC2)C1	ZINC001195006499	970609384	/nfs/dbraw/zinc/60/93/84/970609384.db2.gz	JUIYGOUVKAJFAU-USXIJHARSA-N	1	0	362.474	1.435	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1C(=O)NC(C)(C)C1=O	ZINC001110497319	972567716	/nfs/dbraw/zinc/56/77/16/972567716.db2.gz	SSNHLWZJYDWZHX-OAGGEKHMSA-N	1	0	374.485	1.232	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1	ZINC000957955087	1014045500	/nfs/dbraw/zinc/04/55/00/1014045500.db2.gz	CZHZZALZTLMCRW-RVKKMQEKSA-N	1	0	371.485	1.585	20	30		FDEDRO
CO[C@@H](C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1O)c1ccccc1	ZINC001197956101	972596655	/nfs/dbraw/zinc/59/66/55/972596655.db2.gz	VFYITPGIAIUVNF-KZNAEPCWSA-N	1	0	371.462	1.669	20	30		FDEDRO
C[C@@H]1CN(C(=O)OC(C)(C)C)CC1=NNC(=S)NCCC[NH+](C)C	ZINC000863092762	972665433	/nfs/dbraw/zinc/66/54/33/972665433.db2.gz	JPDODTCDRQEBKC-GFCCVEGCSA-N	1	0	357.524	1.645	20	30		FDEDRO
CCN(CCO)c1ccc(C=[NH+]N[C@H]2CCCS(=O)(=O)C2)c(C)c1	ZINC000863129416	972671205	/nfs/dbraw/zinc/67/12/05/972671205.db2.gz	LOPVIGAKWMHARN-INIZCTEOSA-N	1	0	353.488	1.314	20	30		FDEDRO
O=S1(=O)CCC[C@H](N[NH+]=Cc2ccc(N3CCC(O)CC3)cc2)C1	ZINC000863135277	972678473	/nfs/dbraw/zinc/67/84/73/972678473.db2.gz	YTMFUKRRYYUJTR-HNNXBMFYSA-N	1	0	351.472	1.148	20	30		FDEDRO
CCCCCCCCCCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O	ZINC001198068864	972760698	/nfs/dbraw/zinc/76/06/98/972760698.db2.gz	NIOVWPCSKXQOHD-QZTJIDSGSA-N	1	0	358.523	1.687	20	30		FDEDRO
COc1cncc(CO[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)n1	ZINC000863458865	972935892	/nfs/dbraw/zinc/93/58/92/972935892.db2.gz	HAYHDOBVEBKFGZ-UHFFFAOYSA-N	1	0	357.414	1.283	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1	ZINC000645111666	1014072306	/nfs/dbraw/zinc/07/23/06/1014072306.db2.gz	DLZLHAILKGWUBP-PKOBYXMFSA-N	1	0	359.470	1.906	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCOc2ccccc2OC)C1	ZINC001198345476	973003250	/nfs/dbraw/zinc/00/32/50/973003250.db2.gz	LKWYLIWTNZIGEC-GVDBMIGSSA-N	1	0	362.470	1.980	20	30		FDEDRO
C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+]C[C@@H](O)CC1(C#N)CCOCC1	ZINC000863553574	973011400	/nfs/dbraw/zinc/01/14/00/973011400.db2.gz	FNAPXRCCQGLKNO-GJZGRUSLSA-N	1	0	355.479	1.951	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+]C[C@H](O)COc1ccccc1C#N	ZINC000863557872	973014407	/nfs/dbraw/zinc/01/44/07/973014407.db2.gz	RKGMTXCNHTZDML-LISAXSMJSA-N	1	0	373.453	1.753	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)[C@H](O)c1ccc2c(c1)OCO2	ZINC000863562573	973017836	/nfs/dbraw/zinc/01/78/36/973017836.db2.gz	LGYCRLOARJDHNU-OWZDWXTDSA-N	1	0	370.405	1.738	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cccs2)C1	ZINC001198352056	973046653	/nfs/dbraw/zinc/04/66/53/973046653.db2.gz	AFMLIMFYXKDDMO-HUUCEWRRSA-N	1	0	367.515	1.610	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1	ZINC000645153545	1014087006	/nfs/dbraw/zinc/08/70/06/1014087006.db2.gz	FEEBCVJPFMWRAH-LJQANCHMSA-N	1	0	358.486	1.008	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000645190072	1014101513	/nfs/dbraw/zinc/10/15/13/1014101513.db2.gz	KPLKAPMLPCONGH-LJQANCHMSA-N	1	0	372.513	1.662	20	30		FDEDRO
COCC#CCN1C[C@@H](O)[C@H](NC(=O)C2(c3cc(C)cc(C)c3)CC2)C1	ZINC001198689191	973369432	/nfs/dbraw/zinc/36/94/32/973369432.db2.gz	LXAQCQZXLXHMLU-RTBURBONSA-N	1	0	356.466	1.146	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)cc1	ZINC000794590211	973407002	/nfs/dbraw/zinc/40/70/02/973407002.db2.gz	CEHSKUQKNBTHDZ-RBUKOAKNSA-N	1	0	351.406	1.797	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2OCCOC)C1	ZINC001198833349	973526477	/nfs/dbraw/zinc/52/64/77/973526477.db2.gz	CBBGVBUCDUPMKD-CGTJXYLNSA-N	1	0	362.470	1.841	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)/C=C\CN3CCOCC3)CC2)cc1	ZINC000864660278	973734636	/nfs/dbraw/zinc/73/46/36/973734636.db2.gz	YMKKHRRGQLYDIM-IWQZZHSRSA-N	1	0	368.481	1.481	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](c2ccc(F)cc2)C(C)C)C1	ZINC001199253005	974078608	/nfs/dbraw/zinc/07/86/08/974078608.db2.gz	MYQYKUWNCOXAOC-GUDVDZBRSA-N	1	0	364.461	1.929	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(F)c(NC(C)=O)c2)C1	ZINC001199270685	974105931	/nfs/dbraw/zinc/10/59/31/974105931.db2.gz	KMFNTIHJRSIBKH-NXOUGTEYSA-N	1	0	363.433	1.914	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@@H+](CCCOCc2ccccc2)C[C@H]1O	ZINC001199292268	974130518	/nfs/dbraw/zinc/13/05/18/974130518.db2.gz	GCFRSKRXJKOVHZ-RTBURBONSA-N	1	0	362.470	1.347	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2oc(C(C)C)nc2C)C[C@H]1O	ZINC001199311599	974151629	/nfs/dbraw/zinc/15/16/29/974151629.db2.gz	ABPDWTLIRFIAIJ-RRFJBIMHSA-N	1	0	351.447	1.359	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@H]1O	ZINC001199317744	974184533	/nfs/dbraw/zinc/18/45/33/974184533.db2.gz	BPHRCHKTLGCZSJ-NIKGAXFTSA-N	1	0	360.454	1.012	20	30		FDEDRO
Cn1cc(C[NH2+][C@H]2CCN(CC(C)(C)O)C2)c(-c2ccc(C#N)cc2)n1	ZINC000865659789	974408425	/nfs/dbraw/zinc/40/84/25/974408425.db2.gz	RYMFLXIXSLRAGQ-SFHVURJKSA-N	1	0	353.470	1.894	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCc1ccc(F)cc1	ZINC001110539112	974436418	/nfs/dbraw/zinc/43/64/18/974436418.db2.gz	FJWPJOSCWBYGTA-QRVBRYPASA-N	1	0	369.440	1.577	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+]C[C@]34COC(=O)N3CCOC4)CC2)cc1	ZINC000865770450	974475293	/nfs/dbraw/zinc/47/52/93/974475293.db2.gz	LVWVZBMRROENJT-IBGZPJMESA-N	1	0	356.426	1.338	20	30		FDEDRO
C=CC[NH+](CC=C)CCN1CCN(C(=S)NCCC(=O)OCC)CC1	ZINC001200169859	974718921	/nfs/dbraw/zinc/71/89/21/974718921.db2.gz	FKQLKLSZRLIGFH-UHFFFAOYSA-N	1	0	368.547	1.106	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCc1ccccc1	ZINC001110552411	974757739	/nfs/dbraw/zinc/75/77/39/974757739.db2.gz	YDAFRBPKOZOKPW-AFYVEPGGSA-N	1	0	356.466	1.963	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)C(=O)N(CC)CC)CC1	ZINC001200636661	974853105	/nfs/dbraw/zinc/85/31/05/974853105.db2.gz	KOWARTOOZSBVSC-NXHRZFHOSA-N	1	0	365.518	1.805	20	30		FDEDRO
Cc1ccc(S(=O)(=O)Nc2cc[nH+]c(N3CCOCC3)c2)cc1C#N	ZINC001201295774	974998232	/nfs/dbraw/zinc/99/82/32/974998232.db2.gz	ZNDGWWJCPNNSCE-UHFFFAOYSA-N	1	0	358.423	1.899	20	30		FDEDRO
CCCCCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCCO1	ZINC001201403456	975026701	/nfs/dbraw/zinc/02/67/01/975026701.db2.gz	MCZGDSISQBYPCS-YESZJQIVSA-N	1	0	369.506	1.197	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2OCC[C@H]2C)CCCO1	ZINC001201430635	975046445	/nfs/dbraw/zinc/04/64/45/975046445.db2.gz	QJJXXGJAUPRZQD-BNOWGMLFSA-N	1	0	361.280	1.527	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CCCO1	ZINC001201410309	975051593	/nfs/dbraw/zinc/05/15/93/975051593.db2.gz	GLTSVOBLOYNGEH-KURKYZTESA-N	1	0	367.534	1.888	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CCCO1	ZINC001201454146	975068138	/nfs/dbraw/zinc/06/81/38/975068138.db2.gz	JVEHBNVOPFYMKA-HRCADAONSA-N	1	0	352.866	1.483	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CCCOC)C1	ZINC001201600594	975092505	/nfs/dbraw/zinc/09/25/05/975092505.db2.gz	HUVCAHZLUKDIEP-SQNIBIBYSA-N	1	0	354.491	1.601	20	30		FDEDRO
C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1	ZINC001201736743	975150019	/nfs/dbraw/zinc/15/00/19/975150019.db2.gz	CEOQUJYNOBSLES-MOPGFXCFSA-N	1	0	365.518	1.413	20	30		FDEDRO
C#C[C@H](NC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)[C@H]1CCCO1	ZINC000776229272	975211377	/nfs/dbraw/zinc/21/13/77/975211377.db2.gz	FBBHSFOUVQQIFC-AKHDSKFASA-N	1	0	362.518	1.367	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1	ZINC000847291987	975425730	/nfs/dbraw/zinc/42/57/30/975425730.db2.gz	JWDMYQQQZZRQDK-QZTJIDSGSA-N	1	0	354.454	1.923	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC[N@@H+]1C	ZINC000866357337	975571518	/nfs/dbraw/zinc/57/15/18/975571518.db2.gz	SSHPQSRPIKCCPB-QLFBSQMISA-N	1	0	350.463	1.688	20	30		FDEDRO
C#C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)C1	ZINC000847560013	975824304	/nfs/dbraw/zinc/82/43/04/975824304.db2.gz	PJUFCVFSTLQIJY-QGZVFWFLSA-N	1	0	368.481	1.639	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)N[C@@H](CC)[C@H]1CN(Cc2ccccc2)CCO1	ZINC000645369344	1014287333	/nfs/dbraw/zinc/28/73/33/1014287333.db2.gz	BBSNVGWDNLGKRP-HSALFYBXSA-N	1	0	373.497	1.740	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1	ZINC000866774916	976028300	/nfs/dbraw/zinc/02/83/00/976028300.db2.gz	SDYJTRQQSDIAPD-USXIJHARSA-N	1	0	367.446	1.747	20	30		FDEDRO
C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC[C@H]1CC[N@H+](C)C1	ZINC000847823159	976070695	/nfs/dbraw/zinc/07/06/95/976070695.db2.gz	DDHUPHCVTRFELN-DZGCQCFKSA-N	1	0	365.455	1.110	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)s1	ZINC000867581949	976420940	/nfs/dbraw/zinc/42/09/40/976420940.db2.gz	RYHOKDBJZFTHSG-UHFFFAOYSA-N	1	0	357.501	1.599	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)NCCC1CC[NH+](C(C)C)CC1	ZINC000867651703	976577917	/nfs/dbraw/zinc/57/79/17/976577917.db2.gz	DUXUNFQHFFVVDN-UHFFFAOYSA-N	1	0	360.524	1.193	20	30		FDEDRO
CC[C@@H]1CN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)[C@@H](CC)CN1C(C)=O	ZINC000867950564	977131118	/nfs/dbraw/zinc/13/11/18/977131118.db2.gz	DQLVGXWLBSGGLN-HBFSDRIKSA-N	1	0	368.481	1.993	20	30		FDEDRO
CNC(=O)c1cccc(CCNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)c1	ZINC000867951692	977132957	/nfs/dbraw/zinc/13/29/57/977132957.db2.gz	MORGVIALFKVGNQ-IBGZPJMESA-N	1	0	362.433	1.464	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCCC[C@H]1CN1CCOCC1	ZINC000867961960	977144502	/nfs/dbraw/zinc/14/45/02/977144502.db2.gz	ISLBZCJDVFFISR-AZUAARDMSA-N	1	0	368.481	1.458	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC(N2CCCCC2=O)CC1	ZINC000867976095	977158287	/nfs/dbraw/zinc/15/82/87/977158287.db2.gz	UPHDCBIUPXTSEI-HXUWFJFHSA-N	1	0	366.465	1.749	20	30		FDEDRO
COC(=O)N1CCC([C@H](C)NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000867976098	977159888	/nfs/dbraw/zinc/15/98/88/977159888.db2.gz	UPQCUVATIBXERU-SCLBCKFNSA-N	1	0	370.453	1.728	20	30		FDEDRO
CNC(=O)C[C@@H](NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)c1ccccc1	ZINC000867976385	977160009	/nfs/dbraw/zinc/16/00/09/977160009.db2.gz	ZZFKEIUJXHVJBT-QUCCMNQESA-N	1	0	362.433	1.739	20	30		FDEDRO
CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000867987573	977172216	/nfs/dbraw/zinc/17/22/16/977172216.db2.gz	OJNNATVUVRJWOZ-MBOZVWFJSA-N	1	0	355.438	1.983	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@@H]1CC2(CO1)CCOCC2	ZINC000867993464	977177077	/nfs/dbraw/zinc/17/70/77/977177077.db2.gz	UEALUBRTFSRXQU-FUHWJXTLSA-N	1	0	355.438	1.447	20	30		FDEDRO
C#C[C@H]1CCC[N@@H+](Cc2ccc(OCC(=O)N3CCOCC3)c(OC)c2)C1	ZINC000848923811	977238972	/nfs/dbraw/zinc/23/89/72/977238972.db2.gz	QQUBMCONWAQQPH-KRWDZBQOSA-N	1	0	372.465	1.778	20	30		FDEDRO
CCCCCCC[C@@H](C)CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000848931961	977248080	/nfs/dbraw/zinc/24/80/80/977248080.db2.gz	JVCUNJCHBWSNSE-IXDOHACOSA-N	1	0	353.507	1.377	20	30		FDEDRO
CCC(O)(CC)CCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000849090063	977309854	/nfs/dbraw/zinc/30/98/54/977309854.db2.gz	QIRURJNKMAQZJS-CQSZACIVSA-N	1	0	354.495	1.808	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000849100802	977314849	/nfs/dbraw/zinc/31/48/49/977314849.db2.gz	DPGCRCXRXFPOIT-OAHLLOKOSA-N	1	0	371.526	1.033	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1	ZINC000849106027	977317445	/nfs/dbraw/zinc/31/74/45/977317445.db2.gz	PJNITAJNMOJCAG-SWLSCSKDSA-N	1	0	356.392	1.457	20	30		FDEDRO
C[NH+]=C(NCc1ccco1)NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000849110483	977321278	/nfs/dbraw/zinc/32/12/78/977321278.db2.gz	ZUICBKJTIWDMGQ-AWEZNQCLSA-N	1	0	352.435	1.581	20	30		FDEDRO
CN1CCC[NH+]=C1NCCCNC(=O)c1ccc(Br)cc1	ZINC000849111510	977322664	/nfs/dbraw/zinc/32/26/64/977322664.db2.gz	QOWXVNLDAUBZFY-UHFFFAOYSA-N	1	0	353.264	1.850	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCC[C@@H]3CCOC3)=[NH+]C[C@@H]2C1	ZINC000849116491	977328614	/nfs/dbraw/zinc/32/86/14/977328614.db2.gz	LFYLYVSNTFSBGJ-HUUCEWRRSA-N	1	0	352.479	1.684	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CC3(CO2)CCOCC3)CC1	ZINC000868221403	977359711	/nfs/dbraw/zinc/35/97/11/977359711.db2.gz	HXRARWCFANODLT-KRWDZBQOSA-N	1	0	351.491	1.912	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)cc1	ZINC000868267114	977419369	/nfs/dbraw/zinc/41/93/69/977419369.db2.gz	WJMIJFWAVIPVJR-INIZCTEOSA-N	1	0	372.469	1.435	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1	ZINC000108609158	977605792	/nfs/dbraw/zinc/60/57/92/977605792.db2.gz	GMURUSBFSDZCPL-UHFFFAOYSA-N	1	0	364.405	1.381	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1	ZINC000849547532	977728227	/nfs/dbraw/zinc/72/82/27/977728227.db2.gz	IJRLALQTMPKAKK-MOPGFXCFSA-N	1	0	366.465	1.784	20	30		FDEDRO
Cc1[nH]nc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1C#N	ZINC000849612199	977848790	/nfs/dbraw/zinc/84/87/90/977848790.db2.gz	GMHAPVZGQRRWMZ-HOCLYGCPSA-N	1	0	355.446	1.776	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N[C@H](CO)c1cccc(C(F)(F)F)c1	ZINC000868654188	977872285	/nfs/dbraw/zinc/87/22/85/977872285.db2.gz	XQYBXTYQQLTQCN-OAHLLOKOSA-N	1	0	357.376	1.993	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C	ZINC000850507587	978408843	/nfs/dbraw/zinc/40/88/43/978408843.db2.gz	OVHGWONIOJJXMM-ZIAGYGMSSA-N	1	0	358.442	1.905	20	30		FDEDRO
N#CCOc1cccc(NC(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)c1	ZINC000850831513	978688803	/nfs/dbraw/zinc/68/88/03/978688803.db2.gz	WSBOEYBPMZIWKR-INIZCTEOSA-N	1	0	370.453	1.766	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000968001809	1014539751	/nfs/dbraw/zinc/53/97/51/1014539751.db2.gz	WLZXITAVCUBATI-BGTYHANMSA-N	1	0	363.502	1.367	20	30		FDEDRO
N#Cc1ccccc1N1CC[NH+](C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000851745697	979026026	/nfs/dbraw/zinc/02/60/26/979026026.db2.gz	LPXYVMQSFRHVIL-FQEVSTJZSA-N	1	0	350.422	1.053	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC(C)([NH+]3CCC3)CC2)CC1	ZINC000880473470	979216651	/nfs/dbraw/zinc/21/66/51/979216651.db2.gz	FMVUYWDXPMONIN-GOSISDBHSA-N	1	0	361.534	1.239	20	30		FDEDRO
C#C[C@H](NC(=O)NC1CC[NH+](Cc2ccncc2)CC1)C1CCOCC1	ZINC000851963044	979227038	/nfs/dbraw/zinc/22/70/38/979227038.db2.gz	GCUIAHVOECZFOW-IBGZPJMESA-N	1	0	356.470	1.774	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cccc(CC#N)n2)CC1=O	ZINC000882475161	980660478	/nfs/dbraw/zinc/66/04/78/980660478.db2.gz	GYQUBNJUCIWRQL-GDBMZVCRSA-N	1	0	355.442	1.419	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC(N(CC)C(=O)[C@]34C[C@H]3CCC4)C2)CC1	ZINC000968225542	1014770574	/nfs/dbraw/zinc/77/05/74/1014770574.db2.gz	YGGIQHCQEQSWJJ-DYESRHJHSA-N	1	0	357.498	1.581	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1	ZINC000883104706	981948960	/nfs/dbraw/zinc/94/89/60/981948960.db2.gz	JKZKPIYCDGWWIA-UHFFFAOYSA-N	1	0	356.470	1.606	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCOC[C@H]1C[NH2+]Cc1cnc2ccc(C#N)cn12	ZINC000858280493	981958329	/nfs/dbraw/zinc/95/83/29/981958329.db2.gz	UMOIPCVQINKWLW-MRXNPFEDSA-N	1	0	371.441	1.931	20	30		FDEDRO
CCOCC[NH+]1CCN(Cn2c(C)nnc2-c2cccc(C#N)c2)CC1	ZINC000131155382	981995308	/nfs/dbraw/zinc/99/53/08/981995308.db2.gz	BGPMDPQVKLWVOK-UHFFFAOYSA-N	1	0	354.458	1.737	20	30		FDEDRO
C=CCC[C@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)[C@@H]1CCCO1	ZINC000883205219	982013765	/nfs/dbraw/zinc/01/37/65/982013765.db2.gz	RKKXONKTMZAJQM-SQNIBIBYSA-N	1	0	351.491	1.023	20	30		FDEDRO
C#CC1(NC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CCCC1	ZINC000883308810	982065014	/nfs/dbraw/zinc/06/50/14/982065014.db2.gz	XWRWZYGTTMFSBW-UHFFFAOYSA-N	1	0	356.470	1.723	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(OCC#N)cc1	ZINC000858488962	982075435	/nfs/dbraw/zinc/07/54/35/982075435.db2.gz	OUGXLUXCPHHQQU-GDBMZVCRSA-N	1	0	363.425	1.956	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+][C@@H]1CCCN(CCN2CCOCC2)C1	ZINC000883371396	982099326	/nfs/dbraw/zinc/09/93/26/982099326.db2.gz	IXFMYDRVZBNJSU-HXUWFJFHSA-N	1	0	371.529	1.510	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)NC2CC[NH+](CCOC(C)C)CC2)CC1	ZINC000883490522	982211170	/nfs/dbraw/zinc/21/11/70/982211170.db2.gz	QBTMPSNXQRERBF-UHFFFAOYSA-N	1	0	351.491	1.436	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)ccc1C1CC1	ZINC000883609062	982306265	/nfs/dbraw/zinc/30/62/65/982306265.db2.gz	NHHXLMQOWYENIS-FQEVSTJZSA-N	1	0	352.438	1.976	20	30		FDEDRO
C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1	ZINC000859001431	982448629	/nfs/dbraw/zinc/44/86/29/982448629.db2.gz	FVKQBHIJGJZCSC-GASCZTMLSA-N	1	0	359.478	1.790	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)N1CCC(CC)([NH+]2CCOCC2)CC1	ZINC000859015489	982459780	/nfs/dbraw/zinc/45/97/80/982459780.db2.gz	WXSRXSCKTFGZGY-KRWDZBQOSA-N	1	0	351.491	1.701	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	ZINC000859025995	982464968	/nfs/dbraw/zinc/46/49/68/982464968.db2.gz	ZSYHQRUPWDTTGO-GOSISDBHSA-N	1	0	365.518	1.997	20	30		FDEDRO
C[NH+]=C(NCc1cccc(N(C)C)n1)N[C@@H]1CCCN(c2cnn(C)c2)C1	ZINC000132821598	982465263	/nfs/dbraw/zinc/46/52/63/982465263.db2.gz	DMKITZBMXZOOIT-MRXNPFEDSA-N	1	0	370.505	1.215	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)NCc2ccccc2)CC1	ZINC001202559716	982556511	/nfs/dbraw/zinc/55/65/11/982556511.db2.gz	KXYZQVGXLQKHBL-MOPGFXCFSA-N	1	0	371.481	1.475	20	30		FDEDRO
C=CCNC(=O)N1CCC[C@H]([NH+]2CC(CNC(=O)OC(C)(C)C)C2)C1	ZINC001202567408	982589615	/nfs/dbraw/zinc/58/96/15/982589615.db2.gz	AGIWEXZKYMSMIA-HNNXBMFYSA-N	1	0	352.479	1.803	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CCCC[C@@H]2COC(=O)NC2CC2)CCOCC1	ZINC000859307371	982699912	/nfs/dbraw/zinc/69/99/12/982699912.db2.gz	VCQXOYHLUISRAV-SJORKVTESA-N	1	0	365.474	1.801	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCC(=O)OCCC[NH+]2CCCCC2)cc1	ZINC000800080088	982729967	/nfs/dbraw/zinc/72/99/67/982729967.db2.gz	PSANWXOQWFNGBE-UHFFFAOYSA-N	1	0	365.455	1.256	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)cc1	ZINC000653074648	1014871617	/nfs/dbraw/zinc/87/16/17/1014871617.db2.gz	PXGHYPCMQLGKCE-JXFKEZNVSA-N	1	0	355.438	1.675	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NCc2cccc(C(=O)NCCC)c2)C1	ZINC000884076565	982827850	/nfs/dbraw/zinc/82/78/50/982827850.db2.gz	HXQHXAHSNFUMAP-SFHVURJKSA-N	1	0	356.470	1.723	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N(Cc1ccc(C(N)=O)cc1)C1CC1)C2	ZINC000884086469	982844685	/nfs/dbraw/zinc/84/46/85/982844685.db2.gz	YRANQAIQOGUAIS-LFDOHDQPSA-N	1	0	352.438	1.416	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)N[C@@H](c2nnc3ccccn32)C(C)C)C1	ZINC000884115355	982891446	/nfs/dbraw/zinc/89/14/46/982891446.db2.gz	OYYACLFNOGVSMM-NVXWUHKLSA-N	1	0	354.458	1.823	20	30		FDEDRO
CN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[C@H]1CCCN(c2ccccc2)C1=O	ZINC000884143408	982924484	/nfs/dbraw/zinc/92/44/84/982924484.db2.gz	HIVNLBMPGUYVDL-ZBZXYNRHSA-N	1	0	366.465	1.780	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCN(c3cccc(Cl)c3)C1=O)C2	ZINC000884165225	982941445	/nfs/dbraw/zinc/94/14/45/982941445.db2.gz	CGRZZMRSHHEHNI-BKUHTVRMSA-N	1	0	372.856	1.701	20	30		FDEDRO
CCOc1ccc(C(=O)N(C)C)cc1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884167689	982942683	/nfs/dbraw/zinc/94/26/83/982942683.db2.gz	LLILNKSOGYBMKH-RDYUPDBUSA-N	1	0	370.453	1.865	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@@H]1CN(Cc3ccccc3)CCO1)C2	ZINC000884177939	982950141	/nfs/dbraw/zinc/95/01/41/982950141.db2.gz	XNSCUUPZERFNSM-XTBIFASLSA-N	1	0	368.481	1.143	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2CCN([C@H](C#N)c3ccccc3)CC2)CC1	ZINC000331964888	982968692	/nfs/dbraw/zinc/96/86/92/982968692.db2.gz	KJHAQRUJHHTIJS-HXUWFJFHSA-N	1	0	369.513	1.469	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(N3CCOCC3)c(F)c1)C2	ZINC000884194672	982970950	/nfs/dbraw/zinc/97/09/50/982970950.db2.gz	PMIHKMBVMLFACM-LFDOHDQPSA-N	1	0	372.444	1.418	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NC1CC[NH+](CC2CCCCC2)CC1	ZINC000884202460	982977677	/nfs/dbraw/zinc/97/76/77/982977677.db2.gz	ZCJFCQXONKQTRZ-KRWDZBQOSA-N	1	0	351.491	1.594	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCN(CC(F)(F)C(F)F)CC1)C2	ZINC000884221735	982995421	/nfs/dbraw/zinc/99/54/21/982995421.db2.gz	ZBKIHGIOLSWGCT-AVERBVTBSA-N	1	0	362.371	1.170	20	30		FDEDRO
Cc1cc(N2CCC(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CC2)nc(C)n1	ZINC000884230036	983004279	/nfs/dbraw/zinc/00/42/79/983004279.db2.gz	HJSIQHPMXSHVFU-NGEICVOHSA-N	1	0	368.485	1.318	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC1	ZINC000884244313	983022676	/nfs/dbraw/zinc/02/26/76/983022676.db2.gz	CPZSVXQAPIWWGR-UHFFFAOYSA-N	1	0	362.474	1.635	20	30		FDEDRO
CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000134178545	983065728	/nfs/dbraw/zinc/06/57/28/983065728.db2.gz	JZLLGYBEFUVVPN-CYBMUJFWSA-N	1	0	362.405	1.467	20	30		FDEDRO
CCOC(=O)CCN(Cc1cccnc1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884308553	983072582	/nfs/dbraw/zinc/07/25/82/983072582.db2.gz	VGLMEGGDBTZNJV-OHTSDLOESA-N	1	0	370.453	1.503	20	30		FDEDRO
COc1cccc([C@@H]2CN(C(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CCO2)c1	ZINC000884310177	983074157	/nfs/dbraw/zinc/07/41/57/983074157.db2.gz	QLFKFXUXBSFCCK-WXNRQPJFSA-N	1	0	355.438	1.734	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N[C@@H](c1c(C)nn(C)c1C)C(F)(F)F	ZINC000884326431	983087111	/nfs/dbraw/zinc/08/71/11/983087111.db2.gz	SEVZIEWHNMGUEQ-GWCFXTLKSA-N	1	0	362.352	1.203	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000884328774	983089351	/nfs/dbraw/zinc/08/93/51/983089351.db2.gz	XFJXSRFPGLEPDC-NJAFHUGGSA-N	1	0	359.470	1.460	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1	ZINC000884406410	983141601	/nfs/dbraw/zinc/14/16/01/983141601.db2.gz	ULZZGCWAEDNZQQ-MSOLQXFVSA-N	1	0	359.470	1.208	20	30		FDEDRO
CC(C)(C)c1ncc2c(n1)CCN(C(=O)C1CC3(C1)C[NH2+]C[C@H]3C#N)C2	ZINC000884429724	983150843	/nfs/dbraw/zinc/15/08/43/983150843.db2.gz	RVFVTRGRSOTASW-KLSXAPCHSA-N	1	0	353.470	1.798	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1	ZINC000860611291	983458102	/nfs/dbraw/zinc/45/81/02/983458102.db2.gz	LXSVSQNKJRWFMK-SUMDDJOVSA-N	1	0	357.454	1.878	20	30		FDEDRO
CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C1	ZINC000861341969	983693135	/nfs/dbraw/zinc/69/31/35/983693135.db2.gz	TYSIHMOYZRFDBF-KUHUBIRLSA-N	1	0	361.442	1.861	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)nc1	ZINC000861556375	983777754	/nfs/dbraw/zinc/77/77/54/983777754.db2.gz	KJUSTWGQPYQDHE-KRWDZBQOSA-N	1	0	372.473	1.165	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)nc1	ZINC000861556186	983777769	/nfs/dbraw/zinc/77/77/69/983777769.db2.gz	FNNHRBVGFMHQFG-CHWSQXEVSA-N	1	0	370.379	1.534	20	30		FDEDRO
CC(C)(CCC#N)CNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1	ZINC000861631929	983797167	/nfs/dbraw/zinc/79/71/67/983797167.db2.gz	AMTDSYPWLQBSRQ-CABCVRRESA-N	1	0	363.462	1.283	20	30		FDEDRO
C=CCCSCCNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1	ZINC000861649865	983801716	/nfs/dbraw/zinc/80/17/16/983801716.db2.gz	SVJRISZTYUFQEC-CABCVRRESA-N	1	0	368.503	1.262	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C1(C(=O)OC(C)(C)C)CCSCC1	ZINC000861837666	983949547	/nfs/dbraw/zinc/94/95/47/983949547.db2.gz	HKVZCDOQCCRLAJ-UHFFFAOYSA-N	1	0	354.516	1.913	20	30		FDEDRO
CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1	ZINC000862551466	984410158	/nfs/dbraw/zinc/41/01/58/984410158.db2.gz	NDVADBSLIYUPSW-GDBMZVCRSA-N	1	0	351.472	1.739	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[C@@H]2CNc3ccccc32)CC1	ZINC000884642179	984649078	/nfs/dbraw/zinc/64/90/78/984649078.db2.gz	CHVFUPKXBNPYPO-MRXNPFEDSA-N	1	0	370.497	1.859	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)cc1	ZINC000884730277	984736531	/nfs/dbraw/zinc/73/65/31/984736531.db2.gz	FRKJAOZLLYBTPX-UHFFFAOYSA-N	1	0	362.433	1.331	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CCCCC1	ZINC000884785726	984792829	/nfs/dbraw/zinc/79/28/29/984792829.db2.gz	DAOGGHILOBXELZ-NWDGAFQWSA-N	1	0	360.380	1.172	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)CC(C)(C)C	ZINC001137214879	984835840	/nfs/dbraw/zinc/83/58/40/984835840.db2.gz	GJRHOFQXWXXJSJ-CQSZACIVSA-N	1	0	352.479	1.936	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)CC1	ZINC000869101974	984851624	/nfs/dbraw/zinc/85/16/24/984851624.db2.gz	SLBDYGQOUUMAIG-LJQANCHMSA-N	1	0	374.529	1.955	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2	ZINC000884855944	984893970	/nfs/dbraw/zinc/89/39/70/984893970.db2.gz	VHQJTIQPISRZON-OAHLLOKOSA-N	1	0	351.491	1.370	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1	ZINC000885096627	985172623	/nfs/dbraw/zinc/17/26/23/985172623.db2.gz	KVRPQNVDASXQSO-DLBZAZTESA-N	1	0	365.518	1.840	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1	ZINC000885152981	985208025	/nfs/dbraw/zinc/20/80/25/985208025.db2.gz	BKPVUQHCLDXZRO-IBGZPJMESA-N	1	0	362.433	1.347	20	30		FDEDRO
C=CC[C@H]1N(C(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CCCC1(C)C	ZINC000885280661	985284904	/nfs/dbraw/zinc/28/49/04/985284904.db2.gz	RRFFBYGGOPJOEP-ZIAGYGMSSA-N	1	0	357.445	1.941	20	30		FDEDRO
C[C@H](C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1)n1cnc(C#N)n1	ZINC000870187898	985782258	/nfs/dbraw/zinc/78/22/58/985782258.db2.gz	IFMHAMLROXTKNB-OAHLLOKOSA-N	1	0	352.442	1.491	20	30		FDEDRO
CS(=O)(=O)Nc1cccc2c1CC[N@H+](C[C@H](O)CC1(C#N)CCC1)C2	ZINC000885965008	985803703	/nfs/dbraw/zinc/80/37/03/985803703.db2.gz	HXJUEEKHQHXFSJ-OAHLLOKOSA-N	1	0	363.483	1.861	20	30		FDEDRO
CC(C)(C)OC(=O)NC[C@H]1CN(C[C@@H](O)CC2(C#N)CCC2)CCO1	ZINC000886142859	985926006	/nfs/dbraw/zinc/92/60/06/985926006.db2.gz	MQSDHVDLBAPJFW-GJZGRUSLSA-N	1	0	353.463	1.657	20	30		FDEDRO
CCC[NH+](CCC)CCCC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1	ZINC000886203980	985965122	/nfs/dbraw/zinc/96/51/22/985965122.db2.gz	MZGDFPNQFAWJPU-NVXWUHKLSA-N	1	0	355.504	1.285	20	30		FDEDRO
CNC(=O)c1cc(O[C@@H]2CCC[N@H+](C[C@@H](O)CC3(C#N)CCC3)C2)ccn1	ZINC000886267112	986012599	/nfs/dbraw/zinc/01/25/99/986012599.db2.gz	GEIYRHAYSRNXHJ-DOTOQJQBSA-N	1	0	372.469	1.729	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH+]2CCN(c3ccc(F)cc3C(N)=O)CC2)CCC1	ZINC000886295672	986044161	/nfs/dbraw/zinc/04/41/61/986044161.db2.gz	GQCQVSDFJHQDFX-HNNXBMFYSA-N	1	0	360.433	1.491	20	30		FDEDRO
C#CC[C@@H]1CC[N@@H+](CC(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)C1	ZINC000886356015	986094123	/nfs/dbraw/zinc/09/41/23/986094123.db2.gz	RYBCEHWKGJWODZ-QZTJIDSGSA-N	1	0	359.514	1.829	20	30		FDEDRO
C#CC[N@H+](C[C@H](O)Cn1cccn1)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886427322	986204255	/nfs/dbraw/zinc/20/42/55/986204255.db2.gz	HCRMTSIMEUAYPB-KRWDZBQOSA-N	1	0	362.474	1.579	20	30		FDEDRO
C#CCN(C(=O)[C@@H](C[C@@H]1COCCO1)C(F)(F)F)C1CC[NH+](C)CC1	ZINC000886573468	986373075	/nfs/dbraw/zinc/37/30/75/986373075.db2.gz	JRCBJUAAHIXBRO-HUUCEWRRSA-N	1	0	362.392	1.526	20	30		FDEDRO
C#CCN(C(=O)c1cnc(C(=O)OC(C)(C)C)cn1)C1CC[NH+](C)CC1	ZINC000886576066	986376491	/nfs/dbraw/zinc/37/64/91/986376491.db2.gz	VVPDANBSWHPULY-UHFFFAOYSA-N	1	0	358.442	1.602	20	30		FDEDRO
C#CCN(C(=O)CNC(=O)N1CCc2ccccc2C1)C1CC[NH+](C)CC1	ZINC000886581163	986384047	/nfs/dbraw/zinc/38/40/47/986384047.db2.gz	LKJKIWHIQWRTEX-UHFFFAOYSA-N	1	0	368.481	1.310	20	30		FDEDRO
C#CCN(C(=O)CNC(=O)NCc1ccc(F)cc1)C1CC[NH+](C)CC1	ZINC000886585039	986390256	/nfs/dbraw/zinc/39/02/56/986390256.db2.gz	DTXYYUTYZVJWOB-UHFFFAOYSA-N	1	0	360.433	1.181	20	30		FDEDRO
C#CCN(C(=O)Cc1nn(C)c(=O)c2ccccc12)C1CC[NH+](C)CC1	ZINC000886587155	986392861	/nfs/dbraw/zinc/39/28/61/986392861.db2.gz	IYYDQVSITCNBGZ-UHFFFAOYSA-N	1	0	352.438	1.032	20	30		FDEDRO
C#CCN(C(=O)CCC(=O)c1ccc2c(c1)OCCO2)C1CC[NH+](C)CC1	ZINC000886587380	986393142	/nfs/dbraw/zinc/39/31/42/986393142.db2.gz	UILFLHGEEWYJOI-UHFFFAOYSA-N	1	0	370.449	1.977	20	30		FDEDRO
C#CCN(C(=O)C1=NN(c2ccccc2)C(=O)CC1)C1CC[NH+](C)CC1	ZINC000886589122	986396982	/nfs/dbraw/zinc/39/69/82/986396982.db2.gz	KMTUQCZOLQFFGP-UHFFFAOYSA-N	1	0	352.438	1.725	20	30		FDEDRO
N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cnn(-c2cccc(F)c2)c1C(F)(F)F	ZINC000870940321	986525959	/nfs/dbraw/zinc/52/59/59/986525959.db2.gz	IJPATXPGFLNRLZ-ZANVPECISA-N	1	0	367.306	1.872	20	30		FDEDRO
C=CCC1(O)CC[NH+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1	ZINC000886755626	986554762	/nfs/dbraw/zinc/55/47/62/986554762.db2.gz	NQXGFCNTHUWILJ-UHFFFAOYSA-N	1	0	373.497	1.747	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)c3cc(C4CC[NH2+]CC4)no3)CC2)cc1	ZINC000870980966	986559143	/nfs/dbraw/zinc/55/91/43/986559143.db2.gz	BDTKQVDCLGANLU-UHFFFAOYSA-N	1	0	365.437	1.976	20	30		FDEDRO
C=CCC1(O)CC[NH+](CCN(Cc2ccccc2)S(C)(=O)=O)CC1	ZINC000886776256	986579862	/nfs/dbraw/zinc/57/98/62/986579862.db2.gz	AWTJIGVOGKUGSO-UHFFFAOYSA-N	1	0	352.500	1.851	20	30		FDEDRO
C=CCn1c(Nc2ccn(CCF)n2)nnc1[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000871050908	986617271	/nfs/dbraw/zinc/61/72/71/986617271.db2.gz	MUYVJGBJJRUEHJ-KGLIPLIRSA-N	1	0	361.425	1.909	20	30		FDEDRO
C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000871100536	986670838	/nfs/dbraw/zinc/67/08/38/986670838.db2.gz	TUAOOWXPZKDFAZ-GOSISDBHSA-N	1	0	374.533	1.922	20	30		FDEDRO
C#C[C@H](C)N(C)c1nnc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1Cc1cc(C)on1	ZINC000871334655	986905172	/nfs/dbraw/zinc/90/51/72/986905172.db2.gz	VAZBZSMGEMNSQX-XKQJLSEDSA-N	1	0	370.457	1.616	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1	ZINC000871804858	987249171	/nfs/dbraw/zinc/24/91/71/987249171.db2.gz	HTQURFGHLMWGFZ-DLBZAZTESA-N	1	0	363.483	1.774	20	30		FDEDRO
C#CCC1(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCOCC1	ZINC000888596930	987522176	/nfs/dbraw/zinc/52/21/76/987522176.db2.gz	GGXRSTRWJIRQCM-MSOLQXFVSA-N	1	0	363.502	1.626	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CC(=O)c3ccccc3O2)cc1	ZINC000872233744	987532193	/nfs/dbraw/zinc/53/21/93/987532193.db2.gz	WJVHDCGHSXMRNV-NVXWUHKLSA-N	1	0	352.390	1.922	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2ccc(C)cc2C#N)C1	ZINC000872459325	987681692	/nfs/dbraw/zinc/68/16/92/987681692.db2.gz	RMPAQXBAGRZJLE-QGZVFWFLSA-N	1	0	365.499	1.988	20	30		FDEDRO
CCNC(=O)[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C(C)C	ZINC000293194900	987988509	/nfs/dbraw/zinc/98/85/09/987988509.db2.gz	IFSXTAWNBFEDJE-KRWDZBQOSA-N	1	0	368.441	1.433	20	30		FDEDRO
N#Cc1ccc(CNC(=O)CN2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)cc1	ZINC000360889711	988193488	/nfs/dbraw/zinc/19/34/88/988193488.db2.gz	OSHVJQGIMAFXHQ-OALUTQOASA-N	1	0	356.470	1.096	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@@H]([NH2+][C@@H]2CCCN(c3ccncn3)C2)C1=O	ZINC000365920009	988227888	/nfs/dbraw/zinc/22/78/88/988227888.db2.gz	CZGWBISJJTWQDI-HUUCEWRRSA-N	1	0	368.466	1.774	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1	ZINC000294521228	988447046	/nfs/dbraw/zinc/44/70/46/988447046.db2.gz	TXXIOGCXAVIQPP-UHFFFAOYSA-N	1	0	355.482	1.942	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC000873061509	988496887	/nfs/dbraw/zinc/49/68/87/988496887.db2.gz	SGIMCAQZQDAZIR-KRWDZBQOSA-N	1	0	356.474	1.658	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(c3ccnc(N4CCOCC4)n3)C2)nc1	ZINC000366179628	988514654	/nfs/dbraw/zinc/51/46/54/988514654.db2.gz	AHYBLLKJYNHVPO-OAHLLOKOSA-N	1	0	352.398	1.238	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1	ZINC000873104607	988557543	/nfs/dbraw/zinc/55/75/43/988557543.db2.gz	OSILAAWMXDGDCD-BXUZGUMPSA-N	1	0	369.343	1.233	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1	ZINC000873108329	988572738	/nfs/dbraw/zinc/57/27/38/988572738.db2.gz	XCBAAUBRDOYAHV-WCQYABFASA-N	1	0	354.332	1.401	20	30		FDEDRO
C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCC(n3cnc(C#N)n3)CC2)C1	ZINC000366304189	988608560	/nfs/dbraw/zinc/60/85/60/988608560.db2.gz	RARVFUISAUXQEH-IYBDPMFKSA-N	1	0	373.505	1.864	20	30		FDEDRO
COc1cccc(Cc2cnc(NC(=O)N[C@H]3C[NH2+]C[C@@H]3C#N)s2)c1	ZINC000873338964	988722562	/nfs/dbraw/zinc/72/25/62/988722562.db2.gz	STQKHCCMJJHYKS-WFASDCNBSA-N	1	0	357.439	1.976	20	30		FDEDRO
CCOC(=O)c1cnn(C2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)c1	ZINC000295669598	988728126	/nfs/dbraw/zinc/72/81/26/988728126.db2.gz	RDXJGGYRRGSFQC-AWEZNQCLSA-N	1	0	361.446	1.457	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000366726862	988757685	/nfs/dbraw/zinc/75/76/85/988757685.db2.gz	ZGGLJSKEDMZFTP-QFBILLFUSA-N	1	0	364.534	1.825	20	30		FDEDRO
COc1cccc(N2CCC([NH2+]CCNC(=O)C3N=CC=CC3=O)CC2)c1	ZINC000367396542	988948205	/nfs/dbraw/zinc/94/82/05/988948205.db2.gz	LBOKQXZHFPLDNM-VXPUYCOJSA-N	1	0	370.453	1.780	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1C#N	ZINC000873683779	988986748	/nfs/dbraw/zinc/98/67/48/988986748.db2.gz	IBDLVBXOQJZREG-MRXNPFEDSA-N	1	0	356.426	1.592	20	30		FDEDRO
C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)C(=O)N(CCC#N)c1ccccc1	ZINC000368497031	988995886	/nfs/dbraw/zinc/99/58/86/988995886.db2.gz	UVSYBZAUBRGFKF-FNHZYXHNSA-N	1	0	354.454	1.969	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1C#N	ZINC000873694240	989006144	/nfs/dbraw/zinc/00/61/44/989006144.db2.gz	ZDMHVGZQVJNULD-AWEZNQCLSA-N	1	0	358.442	1.742	20	30		FDEDRO
CC[C@@H](C#N)NC(=O)c1nnn(-c2cccc3c2CC[N@H+](CC)C3)c1C	ZINC000369118032	989027099	/nfs/dbraw/zinc/02/70/99/989027099.db2.gz	RCDISBMWFGEFEN-HNNXBMFYSA-N	1	0	352.442	1.986	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NCC[N@H+](C)C2CCCCC2)cc1C#N	ZINC000873716429	989049803	/nfs/dbraw/zinc/04/98/03/989049803.db2.gz	KLZBOFCADVFMFL-UHFFFAOYSA-N	1	0	358.442	1.886	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N[C@H](CN1CCCC1=O)c1ccccc1	ZINC000296235600	989059644	/nfs/dbraw/zinc/05/96/44/989059644.db2.gz	AWEDEVHLCYKLIW-GOSISDBHSA-N	1	0	356.470	1.604	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)N1CCC[C@@H]([NH+]2CCCCC2)C1	ZINC000363304231	989077354	/nfs/dbraw/zinc/07/73/54/989077354.db2.gz	AWAOAFJOVVFURL-RAJOGRCSSA-N	1	0	360.458	1.380	20	30		FDEDRO
CC[N@@H+]1CCc2c(cccc2-n2nnc(C(=O)N(C)CCC#N)c2C)C1	ZINC000363368545	989134412	/nfs/dbraw/zinc/13/44/12/989134412.db2.gz	SHQIBIYITPAFJA-UHFFFAOYSA-N	1	0	352.442	1.939	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CCCCCC2)C1	ZINC000363383040	989148573	/nfs/dbraw/zinc/14/85/73/989148573.db2.gz	IEUDLAILGMLDCJ-JKSUJKDBSA-N	1	0	364.490	1.501	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1C#N	ZINC000873769758	989149753	/nfs/dbraw/zinc/14/97/53/989149753.db2.gz	RLDMHZWXHRLPOW-CQSZACIVSA-N	1	0	358.442	1.599	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000363393604	989157148	/nfs/dbraw/zinc/15/71/48/989157148.db2.gz	SXXRIWZPMHMTKX-ZIFCJYIRSA-N	1	0	364.534	1.920	20	30		FDEDRO
Cc1noc(COCC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)n1	ZINC000363407869	989171306	/nfs/dbraw/zinc/17/13/06/989171306.db2.gz	HLGJQNMSWWAECM-UHFFFAOYSA-N	1	0	369.425	1.501	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)C(=O)Nc1cccc(C#N)c1	ZINC000363539596	989278929	/nfs/dbraw/zinc/27/89/29/989278929.db2.gz	MQGGOASMQWPLLO-ZTFGCOKTSA-N	1	0	370.453	1.502	20	30		FDEDRO
C[NH+]1CCN(Cc2cccc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)c2)CC1	ZINC000369927890	989313308	/nfs/dbraw/zinc/31/33/08/989313308.db2.gz	OWXSUSDVWUXTKO-HXUWFJFHSA-N	1	0	367.497	1.246	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccnn1-c1ccc(F)cc1	ZINC000873896148	989409623	/nfs/dbraw/zinc/40/96/23/989409623.db2.gz	PAWIIUCVTKAUJB-UHFFFAOYSA-N	1	0	357.389	1.021	20	30		FDEDRO
Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1	ZINC000370066002	989428855	/nfs/dbraw/zinc/42/88/55/989428855.db2.gz	FNLXERFJOSCWSM-KRWDZBQOSA-N	1	0	369.469	1.194	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O	ZINC000297013211	989461697	/nfs/dbraw/zinc/46/16/97/989461697.db2.gz	VPLUNGCCKSHPRO-QGZVFWFLSA-N	1	0	360.433	1.181	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000297178836	989489127	/nfs/dbraw/zinc/48/91/27/989489127.db2.gz	FLHCVDLKTMMEBN-UHFFFAOYSA-N	1	0	369.469	1.898	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000364533247	989632013	/nfs/dbraw/zinc/63/20/13/989632013.db2.gz	JSWAPEVXUDYKAK-RBUKOAKNSA-N	1	0	368.481	1.992	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H]2CCCc3cnn(CCOC)c32)CC1	ZINC000364635322	989689987	/nfs/dbraw/zinc/68/99/87/989689987.db2.gz	SPPCXEBBYUJTCG-KRWDZBQOSA-N	1	0	361.490	1.857	20	30		FDEDRO
C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@]1(C#N)CCc2ccccc2C1	ZINC000370373210	989696813	/nfs/dbraw/zinc/69/68/13/989696813.db2.gz	BVLIUHFYIGUYNQ-UWJYYQICSA-N	1	0	354.498	1.827	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c(F)cc1C#N	ZINC000874173331	989876360	/nfs/dbraw/zinc/87/63/60/989876360.db2.gz	GAGBEEIKYMRDSP-NHYWBVRUSA-N	1	0	360.389	1.197	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1C#N	ZINC000874175325	989884854	/nfs/dbraw/zinc/88/48/54/989884854.db2.gz	WCFFISFQMNEIAC-WMLDXEAASA-N	1	0	370.453	1.837	20	30		FDEDRO
CON=C(C(=O)N1CCC(C[N@H+](C)C(C)C)CC1)c1csc(N)n1	ZINC000874192177	989921487	/nfs/dbraw/zinc/92/14/87/989921487.db2.gz	FAHBVECAPCPPNA-UHFFFAOYSA-N	1	0	353.492	1.655	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1	ZINC000370761213	989973902	/nfs/dbraw/zinc/97/39/02/989973902.db2.gz	VOXOFBPYGWOROI-SJORKVTESA-N	1	0	373.453	1.563	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)[C@@H](C)C(=O)N1CCC(C(N)=O)CC1	ZINC000298249486	989988659	/nfs/dbraw/zinc/98/86/59/989988659.db2.gz	TXVPEFNOXXCFPU-HNNXBMFYSA-N	1	0	354.454	1.659	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NCC[N@@H+](C)[C@H](C)CC)s1	ZINC000874300501	990063013	/nfs/dbraw/zinc/06/30/13/990063013.db2.gz	SYFOSMBQWSXVCR-CYBMUJFWSA-N	1	0	373.544	1.601	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](C)[N@H+](C)C2CC2)s1	ZINC000874327147	990097465	/nfs/dbraw/zinc/09/74/65/990097465.db2.gz	XMKMWRLYFUOAGR-LBPRGKRZSA-N	1	0	371.528	1.354	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C	ZINC000968687146	1015538615	/nfs/dbraw/zinc/53/86/15/1015538615.db2.gz	UIQSHTRHSFPBDI-ILOCAZANSA-N	1	0	361.486	1.264	20	30		FDEDRO
CN1CCC([NH+]2CCC(CCNC(=O)N3CCO[C@@H](C#N)C3)CC2)CC1	ZINC000371093183	990242499	/nfs/dbraw/zinc/24/24/99/990242499.db2.gz	JGRQVUQITODOER-SFHVURJKSA-N	1	0	363.506	1.117	20	30		FDEDRO
CC[C@H](C)[N@H+](C)CCNC(=O)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000371098967	990248002	/nfs/dbraw/zinc/24/80/02/990248002.db2.gz	JEJQJOGNOGYOFG-MDOVXXIYSA-N	1	0	369.469	1.772	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NCC[N@@H+](C)C(C)C)s1	ZINC000874469773	990311673	/nfs/dbraw/zinc/31/16/73/990311673.db2.gz	GGGXUJHTIGKZFD-UHFFFAOYSA-N	1	0	359.517	1.211	20	30		FDEDRO
CON=C(C(=O)N(CC(C)C)C1CC[NH+](C)CC1)c1csc(N)n1	ZINC000874469253	990311769	/nfs/dbraw/zinc/31/17/69/990311769.db2.gz	JEEOLOHXOXOTRO-UHFFFAOYSA-N	1	0	353.492	1.655	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)c1	ZINC000371230722	990315555	/nfs/dbraw/zinc/31/55/55/990315555.db2.gz	RWEHROBNMUBXHM-IEBWSBKVSA-N	1	0	366.465	1.650	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1	ZINC000371230117	990315870	/nfs/dbraw/zinc/31/58/70/990315870.db2.gz	OWYCTVOIJZJKEK-MJGOQNOKSA-N	1	0	366.465	1.650	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CC(=O)NCc1ccc(C#N)cc1	ZINC000371292474	990343780	/nfs/dbraw/zinc/34/37/80/990343780.db2.gz	CEZXADXERDBDHY-GUDVDZBRSA-N	1	0	356.470	1.358	20	30		FDEDRO
C#CCCOc1ccc(C[NH+]2CCC([C@]3(C)NC(=O)NC3=O)CC2)cc1	ZINC000371324760	990358501	/nfs/dbraw/zinc/35/85/01/990358501.db2.gz	ADYXTLAMVCEGAL-FQEVSTJZSA-N	1	0	355.438	1.899	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC2CC[NH+](CCc3ccncc3)CC2)cn1	ZINC000371496839	990475825	/nfs/dbraw/zinc/47/58/25/990475825.db2.gz	FVELZLYHRFIAEN-UHFFFAOYSA-N	1	0	371.466	1.334	20	30		FDEDRO
C[N@@H+]1C[C@H](NC(=O)CCNC(=O)C2N=CC=CC2=O)[C@H](c2ccccc2)C1	ZINC000371529722	990506418	/nfs/dbraw/zinc/50/64/18/990506418.db2.gz	UPNUZZVRSPSQFW-SFJAUFLASA-N	1	0	368.437	1.117	20	30		FDEDRO
C[C@@H](C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)n1cnc(C#N)n1	ZINC000409742278	990796224	/nfs/dbraw/zinc/79/62/24/990796224.db2.gz	CWOYEXWAPUXNIJ-HOTGVXAUSA-N	1	0	352.442	1.834	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1	ZINC000875060073	990808482	/nfs/dbraw/zinc/80/84/82/990808482.db2.gz	KMZGKFMSVNXTGI-MOPGFXCFSA-N	1	0	371.481	1.484	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000875060894	990810974	/nfs/dbraw/zinc/81/09/74/990810974.db2.gz	GWJQYDNDDAYJLF-BBWFWOEESA-N	1	0	351.491	1.015	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCc2nccn2C1	ZINC000372272369	990990074	/nfs/dbraw/zinc/99/00/74/990990074.db2.gz	GZHUSPLYAPMWNT-GOSISDBHSA-N	1	0	351.454	1.908	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](OC3CCC3)CC2)CC1	ZINC000875182471	991022410	/nfs/dbraw/zinc/02/24/10/991022410.db2.gz	OZWOZQABRLMNGW-GOSISDBHSA-N	1	0	363.502	1.703	20	30		FDEDRO
CCC[NH+]1CCC(CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC1	ZINC000875188887	991033417	/nfs/dbraw/zinc/03/34/17/991033417.db2.gz	CYPMPIGQKKGDIF-UHFFFAOYSA-N	1	0	370.501	1.907	20	30		FDEDRO
N#Cc1cnn(-c2ccc(C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)c1N	ZINC000372560079	991213760	/nfs/dbraw/zinc/21/37/60/991213760.db2.gz	NKLYIUAERASACM-RDJZCZTQSA-N	1	0	350.426	1.683	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)C2(C#N)CCOCC2)[C@H](c2ccccc2)C1	ZINC000372603788	991259119	/nfs/dbraw/zinc/25/91/19/991259119.db2.gz	BWTSAAUIPMQNKP-SFHVURJKSA-N	1	0	356.470	1.412	20	30		FDEDRO
N#Cc1cccc(/C=C/C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1	ZINC000372604594	991260358	/nfs/dbraw/zinc/26/03/58/991260358.db2.gz	CIBPNCTZTYCOHF-VZSQWMKGSA-N	1	0	354.454	1.094	20	30		FDEDRO
N#Cc1ccc(CCC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1	ZINC000372606101	991262937	/nfs/dbraw/zinc/26/29/37/991262937.db2.gz	NKSUHYWPOXRLTG-LJQANCHMSA-N	1	0	356.470	1.014	20	30		FDEDRO
CN(C)c1nccc(N2CC[NH+](CCCC3(C#N)CCOCC3)CC2)n1	ZINC000410378060	991282149	/nfs/dbraw/zinc/28/21/49/991282149.db2.gz	KGJWSNFYPMZTAV-UHFFFAOYSA-N	1	0	358.490	1.765	20	30		FDEDRO
C=CCN(C(=O)C(=O)Nc1ccnn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000372636239	991288723	/nfs/dbraw/zinc/28/87/23/991288723.db2.gz	ZVSGZQKFYFROJV-KRWDZBQOSA-N	1	0	367.453	1.648	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)N1CCC(CC)([NH+]2CCCC2)CC1)[C@H]1CCCO1	ZINC000875325056	991321711	/nfs/dbraw/zinc/32/17/11/991321711.db2.gz	ONRNZFHFMRQIAW-IAGOWNOFSA-N	1	0	361.486	1.150	20	30		FDEDRO
CCC1([NH+](C)C)CCN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)CC1	ZINC000875343068	991358168	/nfs/dbraw/zinc/35/81/68/991358168.db2.gz	SKHAIXLQPUKIEJ-UHFFFAOYSA-N	1	0	372.469	1.516	20	30		FDEDRO
CCN1CCO[C@@H](CN2CCN(Cc3cc(C#N)ccc3OC)CC2)C1	ZINC000372764436	991497835	/nfs/dbraw/zinc/49/78/35/991497835.db2.gz	HJMHGMPOAGSRNB-LJQANCHMSA-N	1	0	358.486	1.405	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCC(CC)([NH+]2CCCC2)CC1	ZINC000875598501	991784999	/nfs/dbraw/zinc/78/49/99/991784999.db2.gz	YUXHHFBKROMHDH-KRWDZBQOSA-N	1	0	363.502	1.398	20	30		FDEDRO
C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1	ZINC000875712174	991929802	/nfs/dbraw/zinc/92/98/02/991929802.db2.gz	CFJIJDHCMMHHLU-HNAYVOBHSA-N	1	0	357.502	1.597	20	30		FDEDRO
CC(C)C1CCC([NH+]2CCN(C(=O)C(=O)N(C)C[C@@H](C)C#N)CC2)CC1	ZINC000410843612	991936321	/nfs/dbraw/zinc/93/63/21/991936321.db2.gz	AHGAFNPOHRWWSJ-AOCRQIFASA-N	1	0	362.518	1.963	20	30		FDEDRO
COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@@H](C)C#N)c1	ZINC000410876012	991959323	/nfs/dbraw/zinc/95/93/23/991959323.db2.gz	FEROAXZQUIFGQK-HNNXBMFYSA-N	1	0	360.458	1.203	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1	ZINC000410902940	991978360	/nfs/dbraw/zinc/97/83/60/991978360.db2.gz	ANQALPYCLDJAKO-QZTJIDSGSA-N	1	0	365.518	1.760	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1	ZINC000410909390	991992060	/nfs/dbraw/zinc/99/20/60/991992060.db2.gz	LNKCZHPCRATGEO-UHFFFAOYSA-N	1	0	365.518	1.762	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1	ZINC000875913750	992185996	/nfs/dbraw/zinc/18/59/96/992185996.db2.gz	HGAPJNTZPWLLQP-OALUTQOASA-N	1	0	359.470	1.481	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1	ZINC000875924132	992197912	/nfs/dbraw/zinc/19/79/12/992197912.db2.gz	HIVYJUWJVRHWMG-KRWDZBQOSA-N	1	0	350.507	1.084	20	30		FDEDRO
CN(C)c1ccc(CNC(=O)CN2CCC(n3cnc(C#N)n3)CC2)cc1	ZINC000373402505	992199601	/nfs/dbraw/zinc/19/96/01/992199601.db2.gz	JTEVPGAVIMBVKT-UHFFFAOYSA-N	1	0	367.457	1.169	20	30		FDEDRO
C=CC[N@@H+](C)CCN(CC)[C@@H](C)C(=O)N1CCN(c2ccccc2O)CC1	ZINC000411641216	992528904	/nfs/dbraw/zinc/52/89/04/992528904.db2.gz	LQUVUELAODJKTJ-SFHVURJKSA-N	1	0	374.529	1.869	20	30		FDEDRO
C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)NCC3(CC#N)CC3)cn2)CC1	ZINC000374039477	992568757	/nfs/dbraw/zinc/56/87/57/992568757.db2.gz	WZNCFXONAWOZKZ-UHFFFAOYSA-N	1	0	371.441	1.303	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000964928729	1015722682	/nfs/dbraw/zinc/72/26/82/1015722682.db2.gz	FLMPVKVOVHBSGV-KURKYZTESA-N	1	0	363.502	1.561	20	30		FDEDRO
COC[C@]1(C[NH+](C)C)COCCN1C(=O)C[C@@H](CC#N)c1ccccc1	ZINC000876477051	992652322	/nfs/dbraw/zinc/65/23/22/992652322.db2.gz	ZZFUQSLGIXDSSS-UYAOXDASSA-N	1	0	359.470	1.880	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1	ZINC000876559917	992704863	/nfs/dbraw/zinc/70/48/63/992704863.db2.gz	BZQCYBREIPWIPR-HNNXBMFYSA-N	1	0	371.890	1.131	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1	ZINC000876595197	992728370	/nfs/dbraw/zinc/72/83/70/992728370.db2.gz	YNFQBKUWJMFFDW-IEBWSBKVSA-N	1	0	366.465	1.510	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)cc1	ZINC000411976960	992746414	/nfs/dbraw/zinc/74/64/14/992746414.db2.gz	JQBUPVSNIWSYIE-YSIASYRMSA-N	1	0	365.433	1.499	20	30		FDEDRO
CCCCNC(=O)[C@H]1CCCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876633342	992759079	/nfs/dbraw/zinc/75/90/79/992759079.db2.gz	AUDVXYXQISBTKC-HKUYNNGSSA-N	1	0	368.481	1.900	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)CC2)CC[N@@H+]1C	ZINC000964937780	1015735027	/nfs/dbraw/zinc/73/50/27/1015735027.db2.gz	XCZXYHMCONGUIO-IIAWOOMASA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O	ZINC000876697015	992805661	/nfs/dbraw/zinc/80/56/61/992805661.db2.gz	NZTYWDGSMIAKJI-HUUCEWRRSA-N	1	0	367.833	1.395	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1	ZINC000876716316	992823543	/nfs/dbraw/zinc/82/35/43/992823543.db2.gz	FSFRYYCGQUACJC-OAHLLOKOSA-N	1	0	350.850	1.239	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(N2CCOCC2)cc1C(=O)OC	ZINC000876716090	992824504	/nfs/dbraw/zinc/82/45/04/992824504.db2.gz	CZLVWMQYYATQAU-CQSZACIVSA-N	1	0	367.833	1.718	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCN(Cc2cscn2)CC1	ZINC000876736223	992851299	/nfs/dbraw/zinc/85/12/99/992851299.db2.gz	URINEFMXMFLSDI-SFHVURJKSA-N	1	0	367.478	1.546	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@H]1CCN(CC(F)(F)F)C1	ZINC000876742875	992860560	/nfs/dbraw/zinc/86/05/60/992860560.db2.gz	XWYQWIFUDFUETI-ZFWWWQNUSA-N	1	0	352.360	1.498	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)c2ccco2)C1	ZINC000374617482	992910953	/nfs/dbraw/zinc/91/09/53/992910953.db2.gz	CEKKHWSWCANYTL-UONOGXRCSA-N	1	0	362.430	1.122	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)s1	ZINC000876832525	992929679	/nfs/dbraw/zinc/92/96/79/992929679.db2.gz	DQVDIBYFEZHEQB-NWDGAFQWSA-N	1	0	357.501	1.012	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H]([NH3+])[C@H](CC)C2)s1	ZINC000876834751	992930600	/nfs/dbraw/zinc/93/06/00/992930600.db2.gz	VGOVLHZQPGEVKJ-OCCSQVGLSA-N	1	0	371.528	1.341	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(c2ccc(C(=O)OC)cc2)C[C@@H]1C	ZINC000876876357	992945243	/nfs/dbraw/zinc/94/52/43/992945243.db2.gz	OYSNJDMDBNOUJX-BBRMVZONSA-N	1	0	365.861	1.980	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCN(Cc2noc(C(C)(C)C)n2)CC1	ZINC000876884668	992948469	/nfs/dbraw/zinc/94/84/69/992948469.db2.gz	RLKMQTQYWOSCOY-ZDUSSCGKSA-N	1	0	369.897	1.871	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1	ZINC000876896118	992956688	/nfs/dbraw/zinc/95/66/88/992956688.db2.gz	VJIVBZMDGBCZHK-CQSZACIVSA-N	1	0	357.863	1.313	20	30		FDEDRO
N#Cc1cnc(Cl)c(C[NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)c1	ZINC000876899297	992958454	/nfs/dbraw/zinc/95/84/54/992958454.db2.gz	IAQDGLCEVOLZDU-UHFFFAOYSA-N	1	0	361.833	1.951	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](Cc1ccccc1OC)C(=O)OC	ZINC000876903899	992960507	/nfs/dbraw/zinc/96/05/07/992960507.db2.gz	ZVIFALAMKKZMRS-ZIAGYGMSSA-N	1	0	354.834	1.613	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)ccc1F	ZINC000877048752	993030360	/nfs/dbraw/zinc/03/03/60/993030360.db2.gz	QMGOOKFXNPWHEJ-AAEUAGOBSA-N	1	0	355.435	1.160	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)C[C@@H]21	ZINC001137116524	993081152	/nfs/dbraw/zinc/08/11/52/993081152.db2.gz	HLKJTVUUUISCDR-GUDVDZBRSA-N	1	0	357.454	1.904	20	30		FDEDRO
COC(=O)c1cc2c(cc1NC(=O)C#CC1CC[NH2+]CC1)OCCCO2	ZINC000877194882	993097258	/nfs/dbraw/zinc/09/72/58/993097258.db2.gz	DTBPYOJVJDOLNF-UHFFFAOYSA-N	1	0	358.394	1.576	20	30		FDEDRO
C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CCO1	ZINC000877234973	993127567	/nfs/dbraw/zinc/12/75/67/993127567.db2.gz	KNWJHCFXDOUFGH-GDBMZVCRSA-N	1	0	353.344	1.925	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1	ZINC000877251468	993150920	/nfs/dbraw/zinc/15/09/20/993150920.db2.gz	QPKJSJSZKOALQP-INIZCTEOSA-N	1	0	370.350	1.888	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(N2CCN(C(C)=O)CC2)cc1	ZINC000877291529	993185850	/nfs/dbraw/zinc/18/58/50/993185850.db2.gz	XZLBPKBWRLRUJA-MRXNPFEDSA-N	1	0	350.850	1.764	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)c3cc4c(s3)CC[NH2+]C4)CC2)cn1	ZINC000877297325	993194811	/nfs/dbraw/zinc/19/48/11/993194811.db2.gz	RCKBWYYVDZSSDY-UHFFFAOYSA-N	1	0	353.451	1.623	20	30		FDEDRO
COc1cccc(C[C@@H]([NH3+])C(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1	ZINC000877297228	993194841	/nfs/dbraw/zinc/19/48/41/993194841.db2.gz	QDXMIDVIESEEJT-LJQANCHMSA-N	1	0	365.437	1.180	20	30		FDEDRO
Cn1cc(N2C[C@]3(CC[N@H+](Cc4ccc(OCC#N)cc4)C3)CC2=O)cn1	ZINC001137118370	993201106	/nfs/dbraw/zinc/20/11/06/993201106.db2.gz	VLGNRRPYWPWDFW-HXUWFJFHSA-N	1	0	365.437	1.951	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CCNC2=O)C3)cc1	ZINC001095527093	993212968	/nfs/dbraw/zinc/21/29/68/993212968.db2.gz	RLOOZHLETVHORC-BDXSIMOUSA-N	1	0	352.438	1.306	20	30		FDEDRO
N#CCCn1cc(C[N@H+]2CCC[C@@](O)(C(N)=O)C2)c(-c2ccccc2)n1	ZINC000375528363	993214366	/nfs/dbraw/zinc/21/43/66/993214366.db2.gz	LTQHFXAKBZMYIE-IBGZPJMESA-N	1	0	353.426	1.276	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC(=O)N1CCC1	ZINC000968859929	1015769365	/nfs/dbraw/zinc/76/93/65/1015769365.db2.gz	UOVIICQBENKQKT-KURKYZTESA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)s1	ZINC000877387037	993264290	/nfs/dbraw/zinc/26/42/90/993264290.db2.gz	XQCLBCGQJXSPSY-CJNGLKHVSA-N	1	0	369.512	1.156	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC[C@H]1C[NH3+]	ZINC000923698947	993346231	/nfs/dbraw/zinc/34/62/31/993346231.db2.gz	GVBBBHRGVGVMCF-QWRGUYRKSA-N	1	0	372.288	1.926	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cn1	ZINC000965055367	1015809848	/nfs/dbraw/zinc/80/98/48/1015809848.db2.gz	OJQIWQZHXBKTME-AYOQOUSVSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)cc1	ZINC000878371105	993927503	/nfs/dbraw/zinc/92/75/03/993927503.db2.gz	RVMWWJNDNINCSY-INIZCTEOSA-N	1	0	360.458	1.569	20	30		FDEDRO
C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1	ZINC000470014098	993932634	/nfs/dbraw/zinc/93/26/34/993932634.db2.gz	UYGKYFDJRGTZHL-RBUKOAKNSA-N	1	0	368.481	1.992	20	30		FDEDRO
COC(=O)[C@]12C[N@H+](CC[C@@](C#N)(C(C)=O)c3ccccc3)C[C@H]1COCC2	ZINC000878541278	994007883	/nfs/dbraw/zinc/00/78/83/994007883.db2.gz	OLVFOMDGNOKAGW-CEWLAPEOSA-N	1	0	370.449	1.939	20	30		FDEDRO
N#Cc1ccnc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-]	ZINC000471066802	994245281	/nfs/dbraw/zinc/24/52/81/994245281.db2.gz	RYEXVMFEHDYEJM-SFHVURJKSA-N	1	0	353.382	1.910	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[N@H+](CCN2CCOCC2)[C@H]2CCSC2)cc1	ZINC000878872088	994308016	/nfs/dbraw/zinc/30/80/16/994308016.db2.gz	ZQABJVIWFCMGQI-OALUTQOASA-N	1	0	361.511	1.731	20	30		FDEDRO
C#CC[C@@H](CO)NC(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000924019208	994326193	/nfs/dbraw/zinc/32/61/93/994326193.db2.gz	UUJUHMZVBWXNAB-SFHVURJKSA-N	1	0	359.470	1.087	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC[C@@H]21	ZINC000879202704	994631429	/nfs/dbraw/zinc/63/14/29/994631429.db2.gz	NEAIRIDDIRCYEJ-ZBFHGGJFSA-N	1	0	351.414	1.697	20	30		FDEDRO
NC(=O)[C@H](C1CC1)[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)CC1CC1	ZINC000879487965	994954442	/nfs/dbraw/zinc/95/44/42/994954442.db2.gz	OIWXTHOJMNNETN-SFHVURJKSA-N	1	0	365.433	1.262	20	30		FDEDRO
Cn1nc(Br)cc1NC(=O)N(CCC#N)CCC[NH+](C)C	ZINC000879643043	995127567	/nfs/dbraw/zinc/12/75/67/995127567.db2.gz	KRFLYOIQTVCUIL-UHFFFAOYSA-N	1	0	357.256	1.882	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCC(F)(F)F	ZINC001110898350	995274783	/nfs/dbraw/zinc/27/47/83/995274783.db2.gz	BZIZVZDWONXZMV-RQJABVFESA-N	1	0	364.408	1.860	20	30		FDEDRO
C#CCC1(NC(=O)C2CC[NH+](C3CCN(CC)CC3)CC2)CCOCC1	ZINC000925424139	995586628	/nfs/dbraw/zinc/58/66/28/995586628.db2.gz	UITZZBCZDDMKCN-UHFFFAOYSA-N	1	0	361.530	1.871	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)CN1CCC[C@@H]([NH2+]C2CCOCC2)C1	ZINC000880201577	995719820	/nfs/dbraw/zinc/71/98/20/995719820.db2.gz	OZNVCKVOKUKWRQ-MOPGFXCFSA-N	1	0	359.470	1.531	20	30		FDEDRO
N#Cc1ccc([C@H](O)CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1	ZINC000880252958	995756727	/nfs/dbraw/zinc/75/67/27/995756727.db2.gz	SLZGNOJYSGGGNJ-GOSISDBHSA-N	1	0	356.470	1.397	20	30		FDEDRO
C[C@@H]1CN(CCS(=O)(=O)c2ccc(C#N)cn2)CCN1c1cc[nH+]cc1	ZINC000880259732	995762123	/nfs/dbraw/zinc/76/21/23/995762123.db2.gz	HCPLROBPKPBBHW-OAHLLOKOSA-N	1	0	371.466	1.333	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1	ZINC000926171603	995956232	/nfs/dbraw/zinc/95/62/32/995956232.db2.gz	YSJZUSKLBBAIQC-WERVVEIQSA-N	1	0	356.466	1.908	20	30		FDEDRO
CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)c(O)c3)C2)[C@H]1C(C)C	ZINC000926245558	995993918	/nfs/dbraw/zinc/99/39/18/995993918.db2.gz	XDYUQVHCLQZYGD-DLVXIWMQSA-N	1	0	357.454	1.863	20	30		FDEDRO
C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1CCNC1=O	ZINC000926674784	996269916	/nfs/dbraw/zinc/26/99/16/996269916.db2.gz	XXAWEEXHJURQOB-UONOGXRCSA-N	1	0	350.463	1.784	20	30		FDEDRO
CCO[C@@H](CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)C[NH+](C)C	ZINC000926843542	996335909	/nfs/dbraw/zinc/33/59/09/996335909.db2.gz	FEYPMVBYCRTVCV-CVEARBPZSA-N	1	0	361.446	1.083	20	30		FDEDRO
CCO[C@H](CNC(=O)N1CCC(C#N)(c2ccccn2)CC1)C[NH+](C)C	ZINC000926845344	996337225	/nfs/dbraw/zinc/33/72/25/996337225.db2.gz	PFWVPHAZWKNIGD-MRXNPFEDSA-N	1	0	359.474	1.615	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)NCC(=O)N(C)Cc1ccccc1)c1cccc(C#N)c1	ZINC000926967886	996380569	/nfs/dbraw/zinc/38/05/69/996380569.db2.gz	XWFCAPPRJVYNDD-INIZCTEOSA-N	1	0	364.449	1.984	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC[C@H]1CNC(=O)C1	ZINC000926970648	996383921	/nfs/dbraw/zinc/38/39/21/996383921.db2.gz	WBIWSQHMDJAHQJ-QGZVFWFLSA-N	1	0	357.458	1.158	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+][C@@H]1CCCNC1=O)C2	ZINC000965424992	1016060167	/nfs/dbraw/zinc/06/01/67/1016060167.db2.gz	PRGCKLAVTGCWCL-SIWCOCFESA-N	1	0	361.486	1.263	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)ccc1Cl	ZINC000887032813	996843535	/nfs/dbraw/zinc/84/35/35/996843535.db2.gz	TZHYGGGIROVHJB-SNVBAGLBSA-N	1	0	356.760	1.511	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1C[C@](O)(c1ccnn1C)C2	ZINC000887051035	996879194	/nfs/dbraw/zinc/87/91/94/996879194.db2.gz	RXSAYIZEYKYIMK-JEWRLFTDSA-N	1	0	359.474	1.243	20	30		FDEDRO
CCN(C(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[C@@H]1CC[NH2+]C1	ZINC000887066135	996898659	/nfs/dbraw/zinc/89/86/59/996898659.db2.gz	DOENNSWJDOYTTB-MRXNPFEDSA-N	1	0	370.453	1.138	20	30		FDEDRO
C[C@@H](C#N)OCC[N@@H+]1C[C@@H]2CC[C@H]1[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12	ZINC000887112460	996942262	/nfs/dbraw/zinc/94/22/62/996942262.db2.gz	ZJZXHOSRJIGYEO-XFUTXVRSSA-N	1	0	367.449	1.811	20	30		FDEDRO
C#CCC1([NH2+]CCN(Cc2ccccc2)S(C)(=O)=O)CCOCC1	ZINC000887122063	996953504	/nfs/dbraw/zinc/95/35/04/996953504.db2.gz	JOSXZLDPABCTES-UHFFFAOYSA-N	1	0	350.484	1.610	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N2CCN(c3ccccc3F)CC2)CCOCC1	ZINC000887123605	996954576	/nfs/dbraw/zinc/95/45/76/996954576.db2.gz	WLEGSTIEZXZMFF-UHFFFAOYSA-N	1	0	359.445	1.636	20	30		FDEDRO
C[C@H]1CN(c2cc[nH+]cc2)CCN1CCS(=O)(=O)c1cccc(C#N)c1	ZINC000887132327	996959063	/nfs/dbraw/zinc/95/90/63/996959063.db2.gz	CUFNQCTYQPPDDE-INIZCTEOSA-N	1	0	370.478	1.938	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCCNc1ccc2ccccc2n1	ZINC000264110737	997403790	/nfs/dbraw/zinc/40/37/90/997403790.db2.gz	QUBITFQTAVMWFO-UHFFFAOYSA-N	1	0	356.474	1.273	20	30		FDEDRO
[NH2+]=C(NCCCN1CCc2ccccc21)N1CCN(c2ncccn2)CC1	ZINC000264114687	997405519	/nfs/dbraw/zinc/40/55/19/997405519.db2.gz	RZXADDACFKVQSP-UHFFFAOYSA-N	1	0	365.485	1.366	20	30		FDEDRO
COc1ccc([C@@H](O)CNC(=[NH2+])NCCc2ccc(OC)c(OC)c2)cc1	ZINC000264132043	997408409	/nfs/dbraw/zinc/40/84/09/997408409.db2.gz	YGTHZFPUJOPGLL-KRWDZBQOSA-N	1	0	373.453	1.893	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCCCOC[C@@H]2CCCO2)cc1OC	ZINC000264140058	997411680	/nfs/dbraw/zinc/41/16/80/997411680.db2.gz	WCUANNFBQSJENY-INIZCTEOSA-N	1	0	365.474	1.736	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000264524342	997531883	/nfs/dbraw/zinc/53/18/83/997531883.db2.gz	YEAMRQBBDAIPKP-UHFFFAOYSA-N	1	0	374.441	1.871	20	30		FDEDRO
O=C(NCCNC(=O)C1N=CC=CC1=O)c1ccc(C[NH+]2CCCC2)cc1	ZINC000264785901	997607155	/nfs/dbraw/zinc/60/71/55/997607155.db2.gz	SRXWXBPHSQFKHQ-ZZEZOPTASA-N	1	0	368.437	1.539	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)CC(=O)N1CCOCC1)C(C)C	ZINC000264799236	997614292	/nfs/dbraw/zinc/61/42/92/997614292.db2.gz	ZVMSJOPBOLVDEV-QGZVFWFLSA-N	1	0	366.506	1.185	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N1CCC(C[NH+]2CCOCC2)CC1	ZINC000265113422	997701739	/nfs/dbraw/zinc/70/17/39/997701739.db2.gz	BQZMPEGMCUEBTM-UHFFFAOYSA-N	1	0	371.481	1.952	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])N[C@H]2CCN(CC(F)(F)F)C2)cc1OC	ZINC000104181159	998315659	/nfs/dbraw/zinc/31/56/59/998315659.db2.gz	ZGHOXXGJXJIUID-ZDUSSCGKSA-N	1	0	374.407	1.787	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000889781136	998653710	/nfs/dbraw/zinc/65/37/10/998653710.db2.gz	LWXGTXLPHWEENH-CVEARBPZSA-N	1	0	359.426	1.003	20	30		FDEDRO
C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000890057926	998796535	/nfs/dbraw/zinc/79/65/35/998796535.db2.gz	QTQQRLGOWBSWRL-WMLDXEAASA-N	1	0	355.442	1.185	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1cnn(C)c1	ZINC001110863476	999072911	/nfs/dbraw/zinc/07/29/11/999072911.db2.gz	KMOSAHZVXPVYAZ-XSYGEPLQSA-N	1	0	360.502	1.913	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C2	ZINC001110879993	999105161	/nfs/dbraw/zinc/10/51/61/999105161.db2.gz	BIIBJRRQKOPPMP-FPCVCCKLSA-N	1	0	351.491	1.461	20	30		FDEDRO
COc1ccc(C[NH2+]Cc2ccc(OCC(N)=O)c(OC)c2)cc1C#N	ZINC000266172161	999125022	/nfs/dbraw/zinc/12/50/22/999125022.db2.gz	CRAOWJVDHTYBAD-UHFFFAOYSA-N	1	0	355.394	1.729	20	30		FDEDRO
CN(C)C(=[NH+]CCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)N(C)C	ZINC000267410629	999328207	/nfs/dbraw/zinc/32/82/07/999328207.db2.gz	IGPHYJDHSFTSQH-UHFFFAOYSA-N	1	0	357.437	1.877	20	30		FDEDRO
CN1C[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1=O	ZINC000267574855	999363368	/nfs/dbraw/zinc/36/33/68/999363368.db2.gz	GSJMFOVKJQBGAL-KRWDZBQOSA-N	1	0	355.442	1.006	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCC(=O)Nc3ccccc3)=[NH+]C[C@H]2C1	ZINC000268099667	999428829	/nfs/dbraw/zinc/42/88/29/999428829.db2.gz	WMPZMIKJMQLLHH-HNNXBMFYSA-N	1	0	373.457	1.506	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1CCN(c2nccn3cnnc23)[C@H](C)C1	ZINC000269660048	999471180	/nfs/dbraw/zinc/47/11/80/999471180.db2.gz	OJRQMGSIMRIAIC-OAHLLOKOSA-N	1	0	357.462	1.059	20	30		FDEDRO
C=C(C)[C@H](CC(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1)OCC	ZINC000270025239	999501606	/nfs/dbraw/zinc/50/16/06/999501606.db2.gz	FRKPOEHEALJTFE-SFHVURJKSA-N	1	0	361.486	1.966	20	30		FDEDRO
C#CC[C@@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)c1ccccc1	ZINC000270379904	999550157	/nfs/dbraw/zinc/55/01/57/999550157.db2.gz	VQACTYUGYPCHOL-RTBURBONSA-N	1	0	368.481	1.699	20	30		FDEDRO
C#CCC[NH+]1CCN(Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)CC1	ZINC000270572494	999579106	/nfs/dbraw/zinc/57/91/06/999579106.db2.gz	ZWPSEYLCIWKBTH-UHFFFAOYSA-N	1	0	356.426	1.494	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c(OC)c1	ZINC000270895588	999630812	/nfs/dbraw/zinc/63/08/12/999630812.db2.gz	LVFRTVQNDSXGOE-QZTJIDSGSA-N	1	0	374.481	1.860	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)nn1CCC#N	ZINC000271048966	999653174	/nfs/dbraw/zinc/65/31/74/999653174.db2.gz	VNPYNVNKYGMVEJ-CYBMUJFWSA-N	1	0	374.470	1.524	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)nn1CCC#N	ZINC000271094363	999660066	/nfs/dbraw/zinc/66/00/66/999660066.db2.gz	VVQGIQNRVNHFLH-ZNMIVQPWSA-N	1	0	374.489	1.526	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)nn1CCC#N	ZINC000271204677	999673999	/nfs/dbraw/zinc/67/39/99/999673999.db2.gz	ZTXRDZUDURWIFS-INIZCTEOSA-N	1	0	372.473	1.378	20	30		FDEDRO
CCCNC(=O)C[C@@H](C(N)=O)[N@H+](CCC)C[C@H](O)c1ccc(C#N)cc1	ZINC000273905065	999732579	/nfs/dbraw/zinc/73/25/79/999732579.db2.gz	YFEFPLWZQWJZEC-IRXDYDNUSA-N	1	0	360.458	1.074	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NCc1ncccc1C)C(C)C	ZINC000284050163	999775649	/nfs/dbraw/zinc/77/56/49/999775649.db2.gz	MTNDWMUAEPYFIC-GOSISDBHSA-N	1	0	358.486	1.821	20	30		FDEDRO
CCOCCCCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000284252054	999789238	/nfs/dbraw/zinc/78/92/38/999789238.db2.gz	MQAAIROZQUMMRQ-UHFFFAOYSA-N	1	0	374.485	1.381	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)N(C)c2ccccc2)CC1	ZINC000284471888	999839295	/nfs/dbraw/zinc/83/92/95/999839295.db2.gz	GTZDHMRXJXOURH-MRXNPFEDSA-N	1	0	358.486	1.394	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccn(-c4cccc(C#N)c4)n3)[C@@H]2C1	ZINC000285869691	999921975	/nfs/dbraw/zinc/92/19/75/999921975.db2.gz	RHLDBWQRHGCEED-MSOLQXFVSA-N	1	0	351.410	1.289	20	30		FDEDRO
Cc1cc(CNC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)on1	ZINC000286027641	999932158	/nfs/dbraw/zinc/93/21/58/999932158.db2.gz	SBDWZWKAMOZHIC-UHFFFAOYSA-N	1	0	369.425	1.061	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](C(=O)NC[C@H](O)C[NH+]3CCCCC3)C2)c(F)c1	ZINC000286031959	999932676	/nfs/dbraw/zinc/93/26/76/999932676.db2.gz	BAWPZDAUZACMQT-SJORKVTESA-N	1	0	374.460	1.487	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NCCCCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000286680288	999945854	/nfs/dbraw/zinc/94/58/54/999945854.db2.gz	IPTYCOOXJBOGKV-WMZOPIPTSA-N	1	0	356.470	1.823	20	30		FDEDRO
Cc1nc(C(=O)NCc2ccncc2OCCC[NH+](C)C)ccc1C#N	ZINC000288662721	1000036169	/nfs/dbraw/zinc/03/61/69/1000036169.db2.gz	GSOSKWYOHTYSJC-UHFFFAOYSA-N	1	0	353.426	1.917	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1	ZINC000288951802	1000062666	/nfs/dbraw/zinc/06/26/66/1000062666.db2.gz	OXZFWBAQJSXAPV-SJLPKXTDSA-N	1	0	355.482	1.985	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000288978863	1000065440	/nfs/dbraw/zinc/06/54/40/1000065440.db2.gz	IFKYRYIJBHEPTM-DNVCBOLYSA-N	1	0	371.481	1.809	20	30		FDEDRO
CCCN(CC[NH+]1CCCC1)C(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC000289135890	1000076986	/nfs/dbraw/zinc/07/69/86/1000076986.db2.gz	OSBHUZJDNDJUAQ-MSUUIHNZSA-N	1	0	363.462	1.030	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc3c2COC3=O)CC1	ZINC000289529679	1000104672	/nfs/dbraw/zinc/10/46/72/1000104672.db2.gz	DJBUXQRVLILRFE-UHFFFAOYSA-N	1	0	357.410	1.452	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1	ZINC000292290779	1000227814	/nfs/dbraw/zinc/22/78/14/1000227814.db2.gz	JJJQYDWQFDCSEP-DOTOQJQBSA-N	1	0	363.458	1.267	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CC[NH2+][C@@H](C(C)C)C3)cc21	ZINC000927798739	1001057304	/nfs/dbraw/zinc/05/73/04/1001057304.db2.gz	WLXMOMJCVLYDAM-MRXNPFEDSA-N	1	0	355.442	1.617	20	30		FDEDRO
N#CCCc1ccc(NC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)cc1	ZINC000927807469	1001067866	/nfs/dbraw/zinc/06/78/66/1001067866.db2.gz	OJQZEWMTLLLOTI-LJQANCHMSA-N	1	0	362.433	1.912	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c1	ZINC000927843005	1001100285	/nfs/dbraw/zinc/10/02/85/1001100285.db2.gz	UQSWGCOMNDOIPG-STQMWFEESA-N	1	0	354.332	1.543	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c1	ZINC000927845702	1001103938	/nfs/dbraw/zinc/10/39/38/1001103938.db2.gz	AAGVBVFXWDXVGC-KBPBESRZSA-N	1	0	371.359	1.928	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c1	ZINC000927850142	1001118477	/nfs/dbraw/zinc/11/84/77/1001118477.db2.gz	ZNFAKXPWTRRUBO-KBPBESRZSA-N	1	0	369.343	1.375	20	30		FDEDRO
CC1(C)CN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C[C@H]1[NH3+]	ZINC000927852031	1001122175	/nfs/dbraw/zinc/12/21/75/1001122175.db2.gz	ADKBOMFFRFFGCF-GOSISDBHSA-N	1	0	362.433	1.616	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)ccc1Br	ZINC000927889215	1001187161	/nfs/dbraw/zinc/18/71/61/1001187161.db2.gz	OADGZUZFVAPALE-SNVBAGLBSA-N	1	0	365.231	1.457	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CC[C@@]4(C3)CCCC[NH2+]4)cc21	ZINC000927932279	1001227236	/nfs/dbraw/zinc/22/72/36/1001227236.db2.gz	JCHFEIGEPJOBKL-HXUWFJFHSA-N	1	0	367.453	1.905	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c(C)cc(C)[nH]c1=O)C2	ZINC001110937755	1001289426	/nfs/dbraw/zinc/28/94/26/1001289426.db2.gz	HTWXAUAFHQOAKB-NXHRZFHOSA-N	1	0	359.470	1.871	20	30		FDEDRO
N#Cc1ccc(C[C@H](C#N)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)cc1	ZINC000928088484	1001347742	/nfs/dbraw/zinc/34/77/42/1001347742.db2.gz	YLLOOYOEGXUVFP-KZNAEPCWSA-N	1	0	354.479	1.937	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C2(C(=O)Nc3c(F)cccc3F)CC2)CC1	ZINC000928648623	1001606303	/nfs/dbraw/zinc/60/63/03/1001606303.db2.gz	OESGYVKDESFYFN-UHFFFAOYSA-N	1	0	361.392	1.897	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)CC1	ZINC000928649378	1001607165	/nfs/dbraw/zinc/60/71/65/1001607165.db2.gz	JCLQWMWKVSCPKN-QGZVFWFLSA-N	1	0	371.456	1.431	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H](CCC)NC(=O)Cc2ccccc2)CC1	ZINC000928655355	1001611052	/nfs/dbraw/zinc/61/10/52/1001611052.db2.gz	PXNIUNISAMZEIF-LJQANCHMSA-N	1	0	355.482	1.728	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H](CCC)NC(=O)Cc2ccccc2)CC1	ZINC000928655354	1001611284	/nfs/dbraw/zinc/61/12/84/1001611284.db2.gz	PXNIUNISAMZEIF-IBGZPJMESA-N	1	0	355.482	1.728	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccccc3CC)C2)CC1	ZINC000928658175	1001613151	/nfs/dbraw/zinc/61/31/51/1001613151.db2.gz	CZORLNJGALNJAB-KRWDZBQOSA-N	1	0	353.466	1.816	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cc(OCC)c(OC)cc2[N+](=O)[O-])CC1	ZINC000928659584	1001615179	/nfs/dbraw/zinc/61/51/79/1001615179.db2.gz	SJNUDGPLRGGTNG-UHFFFAOYSA-N	1	0	361.398	1.830	20	30		FDEDRO
C[NH+](C)CCN1C[C@@H](C(=O)NC(C)(C)Cc2ccc(C#N)cc2)CC1=O	ZINC000928699734	1001630523	/nfs/dbraw/zinc/63/05/23/1001630523.db2.gz	IHLAEMXASLKJLS-KRWDZBQOSA-N	1	0	356.470	1.406	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2	ZINC001110956361	1001720503	/nfs/dbraw/zinc/72/05/03/1001720503.db2.gz	FPDJMEBDLXEYLT-KURKYZTESA-N	1	0	374.529	1.250	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3[nH]ccc3c1)C2	ZINC001110961205	1001741076	/nfs/dbraw/zinc/74/10/76/1001741076.db2.gz	WJCAUFFPSVZBPX-NXHRZFHOSA-N	1	0	350.422	1.252	20	30		FDEDRO
CC(C)[NH+](CCNC(=O)C(=O)N(C)Cc1cc(C#N)cs1)C(C)C	ZINC000929144856	1001772909	/nfs/dbraw/zinc/77/29/09/1001772909.db2.gz	SCSZVQXKFMGJEX-UHFFFAOYSA-N	1	0	350.488	1.813	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC2CCN(C(=O)[C@]34C[C@H]3CCC4)CC2)CC1	ZINC000947754507	1001848532	/nfs/dbraw/zinc/84/85/32/1001848532.db2.gz	OAQUCHKIKONBCD-DYESRHJHSA-N	1	0	357.498	1.629	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCCCc1ccc(C)cc1C)C1CC[NH+](C)CC1	ZINC000929244442	1001849927	/nfs/dbraw/zinc/84/99/27/1001849927.db2.gz	YDHZVMYUAOYNHZ-UHFFFAOYSA-N	1	0	369.509	1.908	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCCc1cc(C)ccc1OC)C1CC[NH+](C)CC1	ZINC000929246843	1001853451	/nfs/dbraw/zinc/85/34/51/1001853451.db2.gz	QOSQNRKFIHXSFQ-UHFFFAOYSA-N	1	0	371.481	1.218	20	30		FDEDRO
N#Cc1ccc(N2CC[NH+](C[C@@H](O)CC[C@H](O)c3ccccc3)CC2)nc1	ZINC000929327906	1001939673	/nfs/dbraw/zinc/93/96/73/1001939673.db2.gz	PCGGSDGCOGWMNT-PMACEKPBSA-N	1	0	366.465	1.950	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[N@@H+]2C[C@H](C(=O)NCCOC)CC[C@H]2C)cc1	ZINC000929356696	1001965344	/nfs/dbraw/zinc/96/53/44/1001965344.db2.gz	ZBIQWAIHZWHRGH-SJLPKXTDSA-N	1	0	371.481	1.860	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1	ZINC000947992164	1002008636	/nfs/dbraw/zinc/00/86/36/1002008636.db2.gz	MNKCSGMTGRHOEO-MSOLQXFVSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@@H](O)COc2ccc3cc[nH]c3c2)CC1	ZINC000929419614	1002031708	/nfs/dbraw/zinc/03/17/08/1002031708.db2.gz	HYBLGUVYEOQHIQ-QGZVFWFLSA-N	1	0	355.438	1.369	20	30		FDEDRO
C#CCN(C(=O)C(=O)NC[C@@H]1CCCc2ccccc21)C1CC[NH+](C)CC1	ZINC000929501205	1002129051	/nfs/dbraw/zinc/12/90/51/1002129051.db2.gz	JGLLOQJHHTXLAQ-SFHVURJKSA-N	1	0	367.493	1.779	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC000948205437	1002176697	/nfs/dbraw/zinc/17/66/97/1002176697.db2.gz	ZLYVZKQOFQJNLQ-OLMNPRSZSA-N	1	0	371.485	1.726	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1	ZINC000948409786	1002310449	/nfs/dbraw/zinc/31/04/49/1002310449.db2.gz	HTYCEVHNCOVLDQ-IEZWGBDMSA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)CC1	ZINC000929693023	1002350866	/nfs/dbraw/zinc/35/08/66/1002350866.db2.gz	MYXDAWDGGUWWNV-HZPDHXFCSA-N	1	0	371.485	1.914	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1	ZINC000948458121	1002361459	/nfs/dbraw/zinc/36/14/59/1002361459.db2.gz	BMVWBYPEMSJWKO-CXAGYDPISA-N	1	0	357.458	1.195	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1	ZINC000965971908	1016630014	/nfs/dbraw/zinc/63/00/14/1016630014.db2.gz	HXINMSVGOKTUTB-XDNAFOTISA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)/C=C/c2ccc[nH]2)C[C@H]1C	ZINC000948692353	1002571944	/nfs/dbraw/zinc/57/19/44/1002571944.db2.gz	BTXNRSIPSDMOGC-QEISBLHKSA-N	1	0	354.454	1.089	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)cc1C#N	ZINC000929932553	1002613254	/nfs/dbraw/zinc/61/32/54/1002613254.db2.gz	DBFHVMVPNRPBJY-UHFFFAOYSA-N	1	0	356.470	1.720	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1	ZINC000949008149	1002925720	/nfs/dbraw/zinc/92/57/20/1002925720.db2.gz	OGVLFFLFIAWNSF-KURKYZTESA-N	1	0	363.502	1.274	20	30		FDEDRO
CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)NCC#CC[NH+](C)C)cc1	ZINC000930219910	1002940156	/nfs/dbraw/zinc/94/01/56/1002940156.db2.gz	CVVPVOWSJZKBMO-UHFFFAOYSA-N	1	0	364.471	1.156	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(CNC(=O)[C@]34C[C@H]3CCC4)CC2)CC1	ZINC000949052689	1002959264	/nfs/dbraw/zinc/95/92/64/1002959264.db2.gz	SVVPUSQEUFDIFJ-DENIHFKCSA-N	1	0	371.525	1.877	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC34CCC4)C[C@H]2C)CC1	ZINC000949068366	1002967820	/nfs/dbraw/zinc/96/78/20/1002967820.db2.gz	ODUXUZIIDKYNOS-BPQIPLTHSA-N	1	0	357.498	1.485	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H]1CCc2ccccc2OC1)C1CC[NH+](C)CC1	ZINC000930251195	1002970846	/nfs/dbraw/zinc/97/08/46/1002970846.db2.gz	QDRNUFAYQNRPOI-QGZVFWFLSA-N	1	0	369.465	1.052	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(CC[NH+]([C@@H](C)COC)CC2)C1	ZINC000949194401	1003082169	/nfs/dbraw/zinc/08/21/69/1003082169.db2.gz	UMMZUAURSSKBTC-BBWFWOEESA-N	1	0	352.475	1.306	20	30		FDEDRO
C=C(C)C[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)CC2)C1	ZINC000949475022	1003375498	/nfs/dbraw/zinc/37/54/98/1003375498.db2.gz	UQBCYJAUGGJBKD-IAGOWNOFSA-N	1	0	358.486	1.793	20	30		FDEDRO
CC#CCN1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3c3cccnc3)CC2)C1	ZINC000949479587	1003383995	/nfs/dbraw/zinc/38/39/95/1003383995.db2.gz	AIFYJDMMHRRQJI-RBUKOAKNSA-N	1	0	353.466	1.902	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H](C(=O)OC)[C@@H](c2ccc(O)cc2)C1	ZINC000930908353	1003651910	/nfs/dbraw/zinc/65/19/10/1003651910.db2.gz	SHMFYJRPEMMSSE-OLMNPRSZSA-N	1	0	373.453	1.589	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1	ZINC000949835229	1003737385	/nfs/dbraw/zinc/73/73/85/1003737385.db2.gz	BINRVSWOBWUNPN-XYPHTWIQSA-N	1	0	357.458	1.337	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CCN3C(=O)COC)CC1	ZINC000930980895	1003738951	/nfs/dbraw/zinc/73/89/51/1003738951.db2.gz	QMNFQUCBJMPDJK-UHFFFAOYSA-N	1	0	370.453	1.441	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3[nH]c(C)cc3C)C2)CC1	ZINC000949862348	1003757886	/nfs/dbraw/zinc/75/78/86/1003757886.db2.gz	XCVOTPOMZBPYJN-CRAIPNDOSA-N	1	0	370.497	1.553	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCS(=O)(=O)N(C)C)C1	ZINC001111002136	1003758060	/nfs/dbraw/zinc/75/80/60/1003758060.db2.gz	WPPNSSDYWHFGGM-OAGGEKHMSA-N	1	0	369.531	1.346	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3cncc(C)c3)C2)CC1	ZINC000949864782	1003759138	/nfs/dbraw/zinc/75/91/38/1003759138.db2.gz	ITBYOCGHYRXNQF-VQIMIIECSA-N	1	0	368.481	1.312	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C[C@H]2C)cn1	ZINC000949887523	1003780195	/nfs/dbraw/zinc/78/01/95/1003780195.db2.gz	YBJKZWWAQGOYJR-LZQZEXGQSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCNS(=O)(=O)CC)C1	ZINC001111002122	1003799220	/nfs/dbraw/zinc/79/92/20/1003799220.db2.gz	WAUSBFFUESDRRO-OAGGEKHMSA-N	1	0	369.531	1.394	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)CN2CCC([N@@H+]3CCCOCC3)CC2)cc1	ZINC000931285305	1004025876	/nfs/dbraw/zinc/02/58/76/1004025876.db2.gz	JRFUSKGNFFLTIR-HXUWFJFHSA-N	1	0	373.497	1.679	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCC([N@@H+]2CCCOCC2)CC1	ZINC000931292362	1004031795	/nfs/dbraw/zinc/03/17/95/1004031795.db2.gz	KLAIIGFCEQXNDW-LPHOPBHVSA-N	1	0	350.507	1.616	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2nnn(Cc3ccccc3F)c2C)CC1	ZINC000931299695	1004034725	/nfs/dbraw/zinc/03/47/25/1004034725.db2.gz	ISBYYYKRPURGJE-UHFFFAOYSA-N	1	0	370.432	1.993	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)C[C@@H]2C1	ZINC000931437521	1004161713	/nfs/dbraw/zinc/16/17/13/1004161713.db2.gz	LDAMZDDPJUJXFG-WBVHZDCISA-N	1	0	364.453	1.566	20	30		FDEDRO
Cc1sc(NC(=O)CN2CC[NH+](CCCCCO)CC2)c(C#N)c1C	ZINC000931496285	1004215108	/nfs/dbraw/zinc/21/51/08/1004215108.db2.gz	KZFLFTIRRNLOTO-UHFFFAOYSA-N	1	0	364.515	1.955	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H](N2CC[NH+](CCCCCO)CC2)C1=O	ZINC000931497069	1004216255	/nfs/dbraw/zinc/21/62/55/1004216255.db2.gz	MTHXPCQZVMXZKC-INIZCTEOSA-N	1	0	362.499	1.505	20	30		FDEDRO
COc1cc(C#N)ccc1C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000931539266	1004250437	/nfs/dbraw/zinc/25/04/37/1004250437.db2.gz	PSXZPMQLBNDMKS-MRXNPFEDSA-N	1	0	356.426	1.121	20	30		FDEDRO
CC1(C)CNC(=O)[C@@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000931662444	1004380850	/nfs/dbraw/zinc/38/08/50/1004380850.db2.gz	BOSYMJXTQNZGJG-HNNXBMFYSA-N	1	0	360.483	1.941	20	30		FDEDRO
C#CCC1([NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCOCC1	ZINC000931760623	1004476988	/nfs/dbraw/zinc/47/69/88/1004476988.db2.gz	LKBLJJUTMUKLSE-OAHLLOKOSA-N	1	0	372.531	1.150	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NC1CCC(C)([NH+]2CCCC2)CC1	ZINC000931791229	1004496616	/nfs/dbraw/zinc/49/66/16/1004496616.db2.gz	CQGXXNFUKOZSMO-UHFFFAOYSA-N	1	0	351.491	1.561	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)Nc1ccc([C@@]2(C)NC(=O)N(C)C2=O)cc1	ZINC000931856239	1004544260	/nfs/dbraw/zinc/54/42/60/1004544260.db2.gz	ABVPWWCQUYFGAR-LJQANCHMSA-N	1	0	371.441	1.160	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)Nc1ccc(N(C)S(=O)(=O)CC)cc1	ZINC000931957127	1004640739	/nfs/dbraw/zinc/64/07/39/1004640739.db2.gz	JMHJKNSBVVDTPP-UHFFFAOYSA-N	1	0	366.487	1.549	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C(C)C)cn1)C2	ZINC001111021464	1004649495	/nfs/dbraw/zinc/64/94/95/1004649495.db2.gz	VEZSJPCTRQNOTL-NXHRZFHOSA-N	1	0	356.470	1.842	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CCc2ccc(S(C)(=O)=O)cc2)CC1	ZINC000932144028	1004792419	/nfs/dbraw/zinc/79/24/19/1004792419.db2.gz	LGWCUOHTSZZBNF-UHFFFAOYSA-N	1	0	350.484	1.789	20	30		FDEDRO
C#CCNC(=O)CC[NH+]1CCC(Cc2nc(-c3ccc(F)cn3)no2)CC1	ZINC000932172771	1004808984	/nfs/dbraw/zinc/80/89/84/1004808984.db2.gz	YUWNPDHENBARRA-UHFFFAOYSA-N	1	0	371.416	1.665	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(F)(F)C(F)F)C2	ZINC001111028928	1004884926	/nfs/dbraw/zinc/88/49/26/1004884926.db2.gz	XJJMWEOASZYSPH-QCNOEVLYSA-N	1	0	365.371	1.689	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Nc1cc2n(n1)CCN(Cc1ccccc1)C2	ZINC000932428683	1004952554	/nfs/dbraw/zinc/95/25/54/1004952554.db2.gz	ISKXWVZVKHKROF-UHFFFAOYSA-N	1	0	366.469	1.585	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1C#N	ZINC000932474112	1004976911	/nfs/dbraw/zinc/97/69/11/1004976911.db2.gz	ANYLKCFJZHMDQD-UHFFFAOYSA-N	1	0	368.481	1.960	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1C#N	ZINC000932473846	1004976975	/nfs/dbraw/zinc/97/69/75/1004976975.db2.gz	QJCKSUKSEYIRBJ-GOEBONIOSA-N	1	0	356.470	1.720	20	30		FDEDRO
COc1ncc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cn1	ZINC000778109988	1005106428	/nfs/dbraw/zinc/10/64/28/1005106428.db2.gz	CWGQJHPXSOAMHI-UHFFFAOYSA-N	1	0	351.410	1.773	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C1	ZINC000932726562	1005130301	/nfs/dbraw/zinc/13/03/01/1005130301.db2.gz	WQPGOMYZVOSBCC-HOTGVXAUSA-N	1	0	364.490	1.937	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH+]1CCC(OC2CN(C(=O)OC(C)(C)C)C2)CC1	ZINC000932797102	1005184016	/nfs/dbraw/zinc/18/40/16/1005184016.db2.gz	BWEXYGGZDYWEPV-CQSZACIVSA-N	1	0	365.474	1.225	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNC(=O)N[C@H](CC#N)C(F)(F)F)ccn1	ZINC000932909516	1005239566	/nfs/dbraw/zinc/23/95/66/1005239566.db2.gz	GJKSJDPYFOPPKA-GFCCVEGCSA-N	1	0	359.352	1.666	20	30		FDEDRO
Cc1noc(C[C@H]2CCC[N@H+](C[C@H](O)COc3ccccc3C#N)C2)n1	ZINC000933565815	1005580613	/nfs/dbraw/zinc/58/06/13/1005580613.db2.gz	QSRHBPSNYGFITD-WBVHZDCISA-N	1	0	356.426	1.944	20	30		FDEDRO
CC(=O)N[C@H]1CCCN(C(=O)C[NH+]2CCC(c3ccc(C#N)cc3)CC2)C1	ZINC000933613566	1005588933	/nfs/dbraw/zinc/58/89/33/1005588933.db2.gz	ZVHIPJCQQGAQGH-FQEVSTJZSA-N	1	0	368.481	1.865	20	30		FDEDRO
CC(=O)N1CCN(C(=O)C[NH+]2CCC(c3ccc(C#N)cc3)CC2)CC1	ZINC000933614152	1005589486	/nfs/dbraw/zinc/58/94/86/1005589486.db2.gz	JTFXMNCJMDYRMZ-UHFFFAOYSA-N	1	0	354.454	1.428	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(N2CCCOC2=O)CC1	ZINC000933615763	1005589606	/nfs/dbraw/zinc/58/96/06/1005589606.db2.gz	WFYUYQYRCVDAIK-KRWDZBQOSA-N	1	0	359.426	1.605	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCC(F)(F)CC1)C2	ZINC001111063169	1005652235	/nfs/dbraw/zinc/65/22/35/1005652235.db2.gz	BNWZSMBFXLIKQG-KFWWJZLASA-N	1	0	353.413	1.283	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@@H](C)Cc3cccnc3)CC2)o1	ZINC000934234134	1005717921	/nfs/dbraw/zinc/71/79/21/1005717921.db2.gz	NPNHBTDBPKJHGV-AWEZNQCLSA-N	1	0	368.441	1.119	20	30		FDEDRO
N#CCSc1ccccc1NC(=O)CN1CC[C@@H]2[C@H]1CCC[N@H+]2CCO	ZINC000934265185	1005725151	/nfs/dbraw/zinc/72/51/51/1005725151.db2.gz	SKDKUNKRKFEALJ-IAGOWNOFSA-N	1	0	374.510	1.772	20	30		FDEDRO
N#CCSc1ccccc1NC(=O)CN1CC[C@H]2[C@@H]1CCC[N@H+]2CCO	ZINC000934265187	1005725437	/nfs/dbraw/zinc/72/54/37/1005725437.db2.gz	SKDKUNKRKFEALJ-IRXDYDNUSA-N	1	0	374.510	1.772	20	30		FDEDRO
CC(=O)[C@](C#N)(CCN1CC[C@H]2[C@H]1CCC[N@@H+]2CCO)c1ccccc1	ZINC000934276685	1005727953	/nfs/dbraw/zinc/72/79/53/1005727953.db2.gz	VCTBXTUCCTVHIZ-QHAWAJNXSA-N	1	0	355.482	1.958	20	30		FDEDRO
N#Cc1cccc(C2(NC(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)CC2)c1	ZINC000935026832	1005835854	/nfs/dbraw/zinc/83/58/54/1005835854.db2.gz	UPBPJKCRMQVJKA-MSOLQXFVSA-N	1	0	355.438	1.543	20	30		FDEDRO
COCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1	ZINC001111092516	1005883529	/nfs/dbraw/zinc/88/35/29/1005883529.db2.gz	VTTYOIWBEFQKRS-AXUOBQJMSA-N	1	0	357.454	1.831	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N	ZINC000935379086	1005901877	/nfs/dbraw/zinc/90/18/77/1005901877.db2.gz	IVTHPLFRISLGPA-SOUVJXGZSA-N	1	0	350.463	1.734	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NC[C@@H]3Cc4ccccc4O3)=[NH+]C[C@H]2C1	ZINC000089120465	1006010409	/nfs/dbraw/zinc/01/04/09/1006010409.db2.gz	PASZGCBBXFAXPW-HOTGVXAUSA-N	1	0	372.469	1.871	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCC(C)C	ZINC001111107044	1006076562	/nfs/dbraw/zinc/07/65/62/1006076562.db2.gz	GQCBTUMAIFVAHL-YRXWBPOGSA-N	1	0	365.518	1.851	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCOC	ZINC001111107422	1006084295	/nfs/dbraw/zinc/08/42/95/1006084295.db2.gz	UDASUNUVZMUGJK-MKXGPGLRSA-N	1	0	365.518	1.996	20	30		FDEDRO
CC(C)Cn1ncnc1CO[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1	ZINC000778593811	1006530422	/nfs/dbraw/zinc/53/04/22/1006530422.db2.gz	CNVCWJJMSHFWTD-UHFFFAOYSA-N	1	0	372.473	1.732	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1	ZINC000954347605	1006625472	/nfs/dbraw/zinc/62/54/72/1006625472.db2.gz	PFGIRDIEIZBIQV-SJORKVTESA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1	ZINC000954405118	1006723238	/nfs/dbraw/zinc/72/32/38/1006723238.db2.gz	VKDSCUJETIIUES-ANQUJSFKSA-N	1	0	358.442	1.164	20	30		FDEDRO
C[NH+]=C(NCC1(c2ccccc2)CC1)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000155852155	1006733426	/nfs/dbraw/zinc/73/34/26/1006733426.db2.gz	VRNOZLRSWFVULG-UHFFFAOYSA-N	1	0	366.469	1.376	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCCCN(C(=O)C#CC2CC2)C3)CC[N@@H+]1C	ZINC000956549370	1006755636	/nfs/dbraw/zinc/75/56/36/1006755636.db2.gz	SBCKXGXIVLDPRJ-JUXOCIIHSA-N	1	0	371.525	1.971	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1	ZINC000954508974	1006829579	/nfs/dbraw/zinc/82/95/79/1006829579.db2.gz	FURGPODNUUGRDP-NXHRZFHOSA-N	1	0	363.502	1.225	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)Cn2cc([C@@H]3CCC[NH2+]C3)nn2)c(OC)c1	ZINC000641207484	1007016054	/nfs/dbraw/zinc/01/60/54/1007016054.db2.gz	JQACQHZEKGXDFJ-IAGOWNOFSA-N	1	0	372.469	1.922	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1C[C@H]1C1CC1	ZINC001114588906	1007051117	/nfs/dbraw/zinc/05/11/17/1007051117.db2.gz	AUYPIRQWWGDFOI-ARWBCWGVSA-N	1	0	359.514	1.894	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)c1cscn1)C2	ZINC001111242726	1007053962	/nfs/dbraw/zinc/05/39/62/1007053962.db2.gz	NTAIFIAOCJYIIB-KQTLUZQSSA-N	1	0	362.499	1.949	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)c1cscn1)C2	ZINC001111242727	1007055132	/nfs/dbraw/zinc/05/51/32/1007055132.db2.gz	NTAIFIAOCJYIIB-NHIYQJMISA-N	1	0	362.499	1.949	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)C2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cn1	ZINC000954913267	1007129439	/nfs/dbraw/zinc/12/94/39/1007129439.db2.gz	SQOCZJIGESBEFK-ZWKOTPCHSA-N	1	0	354.454	1.076	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N(C)C1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000954932064	1007139532	/nfs/dbraw/zinc/13/95/32/1007139532.db2.gz	INLILFRLRMZFOH-VQTJNVASSA-N	1	0	367.493	1.610	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1	ZINC000955064067	1007226313	/nfs/dbraw/zinc/22/63/13/1007226313.db2.gz	TVVRQKQPIHVDDF-JQHSSLGASA-N	1	0	363.502	1.369	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC(=O)NCC2CC2)C3)cc1	ZINC001111257725	1007248887	/nfs/dbraw/zinc/24/88/87/1007248887.db2.gz	DTPBVDIRGXICPQ-QRVBRYPASA-N	1	0	366.465	1.696	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCCCN(C)c2snc(Cl)c2C#N)CC[N@@H+]1C	ZINC001095757655	1007257117	/nfs/dbraw/zinc/25/71/17/1007257117.db2.gz	WGUBQFQZQGERIX-GHMZBOCLSA-N	1	0	355.895	1.951	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F	ZINC001114602028	1007342195	/nfs/dbraw/zinc/34/21/95/1007342195.db2.gz	HWCQDYAHHTZGFI-HTBDUDNFSA-N	1	0	360.404	1.765	20	30		FDEDRO
Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)ncc1=O	ZINC001095782856	1007387286	/nfs/dbraw/zinc/38/72/86/1007387286.db2.gz	DZJCTJABLCDWMC-RYRKJORJSA-N	1	0	363.421	1.187	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NC(=O)CC(C)(C)C)C2	ZINC001111267821	1007403896	/nfs/dbraw/zinc/40/38/96/1007403896.db2.gz	KINJPPVSJFLDCL-HZMVEIRTSA-N	1	0	363.502	1.299	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2C)cc1	ZINC000956992425	1007462750	/nfs/dbraw/zinc/46/27/50/1007462750.db2.gz	PQSIPACOVPOFGR-VQIMIIECSA-N	1	0	365.477	1.873	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@](C)(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nc1	ZINC000957016116	1007543719	/nfs/dbraw/zinc/54/37/19/1007543719.db2.gz	MJJVIJPPULBOTK-CDXJDZJCSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1	ZINC000956036019	1007795898	/nfs/dbraw/zinc/79/58/98/1007795898.db2.gz	QFCXENGSBVLZTB-FHLIZLRMSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1	ZINC000956233815	1007960346	/nfs/dbraw/zinc/96/03/46/1007960346.db2.gz	BBXUITIQEDCKND-JQHSSLGASA-N	1	0	368.437	1.646	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CCN(C(=O)C23CC[NH+](CC2)C3)CC1	ZINC000956500345	1008182244	/nfs/dbraw/zinc/18/22/44/1008182244.db2.gz	AKRACNVBGALPGG-CVEARBPZSA-N	1	0	361.486	1.171	20	30		FDEDRO
N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCS(=O)(=O)N1CCOCC1	ZINC000795799431	1008234269	/nfs/dbraw/zinc/23/42/69/1008234269.db2.gz	DENXYMLZFOLXSU-GOSISDBHSA-N	1	0	363.483	1.577	20	30		FDEDRO
C=CCn1cc(C(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1	ZINC000648868233	1008688501	/nfs/dbraw/zinc/68/85/01/1008688501.db2.gz	UTWWPNSVSFMCAY-IBGZPJMESA-N	1	0	355.442	1.173	20	30		FDEDRO
C=CCn1cc(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)nn1	ZINC000648886283	1008703288	/nfs/dbraw/zinc/70/32/88/1008703288.db2.gz	HTTAYTGUKBJMEG-UHFFFAOYSA-N	1	0	357.380	1.999	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)cc2C1=O	ZINC000647047083	1009423043	/nfs/dbraw/zinc/42/30/43/1009423043.db2.gz	DBNAQBBHPYVJMY-HDJSIYSDSA-N	1	0	355.438	1.964	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC000950673611	1009496345	/nfs/dbraw/zinc/49/63/45/1009496345.db2.gz	CCEJOGLEJDCTSQ-UKPHBRMFSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@H]3OCCN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@H]3C2)CC1	ZINC000960410652	1010145642	/nfs/dbraw/zinc/14/56/42/1010145642.db2.gz	OJWSFXLNJXZFBH-OKZBNKHCSA-N	1	0	361.486	1.123	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1	ZINC000950971785	1010165912	/nfs/dbraw/zinc/16/59/12/1010165912.db2.gz	LYJCUOWZAKYLTN-SQNIBIBYSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000950987196	1010221951	/nfs/dbraw/zinc/22/19/51/1010221951.db2.gz	LZDXYYDJBVRPNV-LSTHTHJFSA-N	1	0	367.493	1.658	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1	ZINC000960576227	1010404957	/nfs/dbraw/zinc/40/49/57/1010404957.db2.gz	OAOZNASCLOEVNJ-DLBZAZTESA-N	1	0	363.502	1.369	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@]2(CO)CCCN(c3ccncc3C#N)C2)CC[N@@H+]1C	ZINC001111373671	1010842544	/nfs/dbraw/zinc/84/25/44/1010842544.db2.gz	NBPBHIWIAIFZPQ-SQGPQFPESA-N	1	0	371.485	1.131	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000951525349	1010917357	/nfs/dbraw/zinc/91/73/57/1010917357.db2.gz	ZPRHMSHOHJOACW-AYOQOUSVSA-N	1	0	353.466	1.729	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(-n3cnnn3)c1)C2	ZINC001111381461	1010986736	/nfs/dbraw/zinc/98/67/36/1010986736.db2.gz	RABNLTFOBCPAKW-NXHRZFHOSA-N	1	0	368.441	1.200	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1	ZINC000951810091	1011097813	/nfs/dbraw/zinc/09/78/13/1011097813.db2.gz	NSRVGNFOAFNRGN-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C(C)(C)[NH+]1CCCCC1	ZINC000952175754	1011379164	/nfs/dbraw/zinc/37/91/64/1011379164.db2.gz	OXDUNGDOTZNKMF-BBWFWOEESA-N	1	0	363.502	1.559	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC[N@@H+]1C	ZINC000952293707	1011575766	/nfs/dbraw/zinc/57/57/66/1011575766.db2.gz	CRIDJGCLNKHMRH-CZUORRHYSA-N	1	0	357.458	1.195	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@H]2OCCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@H]2C1	ZINC000960957093	1011767533	/nfs/dbraw/zinc/76/75/33/1011767533.db2.gz	YTNWVFKECMDSJB-YESZJQIVSA-N	1	0	363.502	1.369	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2C(=O)CCC2=O)cc1	ZINC001095855065	1011899126	/nfs/dbraw/zinc/89/91/26/1011899126.db2.gz	RFIMCPULLUYLMF-SQNIBIBYSA-N	1	0	365.433	1.152	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC000963159248	1011940356	/nfs/dbraw/zinc/94/03/56/1011940356.db2.gz	XGWWIBMJCWZJGA-PILAGYSTSA-N	1	0	369.469	1.432	20	30		FDEDRO
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CC#Cc1cccc(Cl)c1)[C@H]1CCNC1=O	ZINC001095868279	1011993165	/nfs/dbraw/zinc/99/31/65/1011993165.db2.gz	JMOLADSCGTUQCH-OWSLCNJRSA-N	1	0	371.868	1.549	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CCC([NH2+]Cc2cn(C)nn2)CC1	ZINC000963337607	1012163777	/nfs/dbraw/zinc/16/37/77/1012163777.db2.gz	CBDMQRPUNDBGDT-SYNTWQANSA-N	1	0	361.490	1.656	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCCc2ccc(CO)cc2)cc1OC	ZINC000305759561	1012266986	/nfs/dbraw/zinc/26/69/86/1012266986.db2.gz	CUGKUUBCXUDSQT-UHFFFAOYSA-N	1	0	357.454	1.886	20	30		FDEDRO
CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)CC2)C1	ZINC000961376462	1012304839	/nfs/dbraw/zinc/30/48/39/1012304839.db2.gz	ZMWPKSZCRZTXIV-BHIYHBOVSA-N	1	0	359.514	1.875	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@H+](CC(N)=O)C2)CC1	ZINC000961425494	1012363019	/nfs/dbraw/zinc/36/30/19/1012363019.db2.gz	YICGTJZGEMQCBI-AOIWGVFYSA-N	1	0	363.502	1.404	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC3(C[C@@H]3NC(=O)c3ccc(C#N)[nH]3)CC2)CC[N@@H+]1C	ZINC000963637004	1012517008	/nfs/dbraw/zinc/51/70/08/1012517008.db2.gz	APTJBGBSXWYOLE-UNEWFSDZSA-N	1	0	369.469	1.337	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)CC[N@@H+]1C	ZINC000963729634	1012604614	/nfs/dbraw/zinc/60/46/14/1012604614.db2.gz	AHSGVKWPSSWYRP-LTCOOKNTSA-N	1	0	369.469	1.290	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1	ZINC000953947446	1012933517	/nfs/dbraw/zinc/93/35/17/1012933517.db2.gz	APAPUGCHDKFCMZ-NXHRZFHOSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2cccc(C(N)=O)c2)C1	ZINC000961852226	1012943709	/nfs/dbraw/zinc/94/37/09/1012943709.db2.gz	FHAZSMFSBPHONK-AWRGBYNESA-N	1	0	371.481	1.751	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2snnc2C)C1	ZINC000961852985	1012944583	/nfs/dbraw/zinc/94/45/83/1012944583.db2.gz	KVORPBIYUCLPRO-CVSAEHQPSA-N	1	0	350.488	1.812	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCC([NH2+]Cc2cnn(CC)n2)CC1	ZINC000963926079	1012969714	/nfs/dbraw/zinc/96/97/14/1012969714.db2.gz	BVZDCKDFUBFFCH-SYNTWQANSA-N	1	0	361.490	1.748	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCS[C@@H](C)CC3)CC2)o1	ZINC000192180453	178099662	/nfs/dbraw/zinc/09/96/62/178099662.db2.gz	MRMWOVIHDIVRQU-ZDUSSCGKSA-N	1	0	363.487	1.331	20	30		FDEDRO
N#Cc1cc(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)ccn1	ZINC000192650499	178125582	/nfs/dbraw/zinc/12/55/82/178125582.db2.gz	WEAUWNRKYYPDOL-UHFFFAOYSA-N	1	0	363.465	1.891	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1	ZINC000192862803	178136131	/nfs/dbraw/zinc/13/61/31/178136131.db2.gz	YORZJIXIPQRFCT-OAHLLOKOSA-N	1	0	357.458	1.750	20	30		FDEDRO
C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1	ZINC000237316688	178307436	/nfs/dbraw/zinc/30/74/36/178307436.db2.gz	DGFOLEHMSICHCJ-LLVKDONJSA-N	1	0	372.288	1.941	20	30		FDEDRO
C[NH+](C)CCn1nnnc1SCC(=O)N(CCC#N)c1ccccc1	ZINC000510071337	538952543	/nfs/dbraw/zinc/95/25/43/538952543.db2.gz	LQFNPXHHYKJGPC-UHFFFAOYSA-N	1	0	359.459	1.274	20	30		FDEDRO
COC(=O)CC[N@@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)CC(C)C	ZINC000512408305	538974218	/nfs/dbraw/zinc/97/42/18/538974218.db2.gz	DQJZSPXTGQWARM-QGZVFWFLSA-N	1	0	366.506	1.200	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](N2CCOCC2)C[C@H]1C	ZINC000512433497	538974941	/nfs/dbraw/zinc/97/49/41/538974941.db2.gz	MBYQJBKVMQWOOU-YZGWKJHDSA-N	1	0	360.498	1.950	20	30		FDEDRO
COC(=O)[C@@](C)(C[NH2+]Cc1cnc2c(C#N)cnn2c1)c1ccc(F)cc1	ZINC000514604395	539014741	/nfs/dbraw/zinc/01/47/41/539014741.db2.gz	XRPQEMSRXNCGAZ-IBGZPJMESA-N	1	0	367.384	1.961	20	30		FDEDRO
CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000546865267	542246741	/nfs/dbraw/zinc/24/67/41/542246741.db2.gz	YCXAVBQEILUGBU-QGZVFWFLSA-N	1	0	363.421	1.945	20	30		FDEDRO
COC[C@](C)(CCO)[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000267938742	674038351	/nfs/dbraw/zinc/03/83/51/674038351.db2.gz	YRGFNFORGUDJBL-KRWDZBQOSA-N	1	0	353.850	1.964	20	30		FDEDRO
Cc1cc(OC[C@@H](O)C[NH2+]CC(=O)NCC#N)c(C(C)C)cc1Cl	ZINC000521996250	539527402	/nfs/dbraw/zinc/52/74/02/539527402.db2.gz	QDJSHAYLUFOBAO-ZDUSSCGKSA-N	1	0	353.850	1.741	20	30		FDEDRO
C[NH+]1CCN(Cc2ccc(CNC(=O)Cc3ccc(C#N)nc3)cc2)CC1	ZINC000527974930	539723161	/nfs/dbraw/zinc/72/31/61/539723161.db2.gz	WBDJBWLRWPKNIK-UHFFFAOYSA-N	1	0	363.465	1.560	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000268187754	180020193	/nfs/dbraw/zinc/02/01/93/180020193.db2.gz	UZFCGIQAVXAOEJ-OXJNMPFZSA-N	1	0	367.497	1.868	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCO[C@@H]1CCOC1	ZINC000268203184	180023510	/nfs/dbraw/zinc/02/35/10/180023510.db2.gz	YMRQZIMKVWBISK-LJQANCHMSA-N	1	0	374.485	1.827	20	30		FDEDRO
C[NH+](C)CCCN(C(=O)c1cc(C#N)cs1)[C@@H]1CCS(=O)(=O)C1	ZINC000268230528	180030392	/nfs/dbraw/zinc/03/03/92/180030392.db2.gz	SBQFHEFWFUOMLW-CYBMUJFWSA-N	1	0	355.485	1.201	20	30		FDEDRO
N#Cc1cccc(NC(=O)C2CC[NH+](C[C@H](O)CC3(O)CCC3)CC2)c1	ZINC000528411723	539756629	/nfs/dbraw/zinc/75/66/29/539756629.db2.gz	ZCSMJKIHBJLDHT-GOSISDBHSA-N	1	0	357.454	1.875	20	30		FDEDRO
C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CC#CCN1C(=O)c2ccccc2C1=O	ZINC000528509288	539762945	/nfs/dbraw/zinc/76/29/45/539762945.db2.gz	ZVBBRSCNRXMWOJ-IAGOWNOFSA-N	1	0	351.450	1.845	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1	ZINC000528517049	539765518	/nfs/dbraw/zinc/76/55/18/539765518.db2.gz	MMFUOLBOILOSEV-CGTJXYLNSA-N	1	0	365.433	1.579	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1	ZINC000269029747	180201098	/nfs/dbraw/zinc/20/10/98/180201098.db2.gz	UAIFVEJYPMIHTJ-UHFFFAOYSA-N	1	0	370.453	1.982	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(c3ncc([N+](=O)[O-])cc3C#N)CC2)CC1	ZINC000269351871	180281733	/nfs/dbraw/zinc/28/17/33/180281733.db2.gz	SCUGHJUSWLWFMU-UHFFFAOYSA-N	1	0	358.446	1.856	20	30		FDEDRO
CN1C(=O)c2ccccc2[C@@H]1C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1	ZINC000530240879	539918638	/nfs/dbraw/zinc/91/86/38/539918638.db2.gz	BHAAAOONQFRTBP-SFHVURJKSA-N	1	0	369.446	1.748	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)NC[C@H](C)C[NH+]3CCCC3)CC2)c1C#N	ZINC000530408183	539963601	/nfs/dbraw/zinc/96/36/01/539963601.db2.gz	PGYKIXNFHASOAE-HNNXBMFYSA-N	1	0	373.505	1.164	20	30		FDEDRO
C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000530567315	540001925	/nfs/dbraw/zinc/00/19/25/540001925.db2.gz	RPWGZXSSVGTHSH-NSHDSACASA-N	1	0	368.359	1.974	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1)C(C)C	ZINC000268448523	674089299	/nfs/dbraw/zinc/08/92/99/674089299.db2.gz	LXNOEJBEQBVBSZ-XHSDSOJGSA-N	1	0	352.479	1.017	20	30		FDEDRO
C[NH+](C)[C@]1(CNS(=O)(=O)c2cc(C#N)ccc2Cl)CCSC1	ZINC000274845491	181176029	/nfs/dbraw/zinc/17/60/29/181176029.db2.gz	GCTKBQKQOPXUGP-AWEZNQCLSA-N	1	0	359.904	1.927	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCC[N@@H+](C)Cc2ccccc2)n(CCC#N)n1	ZINC000532598487	540175853	/nfs/dbraw/zinc/17/58/53/540175853.db2.gz	HLBLFQUAEFVIDQ-UHFFFAOYSA-N	1	0	368.441	1.292	20	30		FDEDRO
C[NH+]1CCN(c2cccc(C(=O)N(CCC#N)Cc3cccnc3)n2)CC1	ZINC000535761315	540505850	/nfs/dbraw/zinc/50/58/50/540505850.db2.gz	ZMXXNAPFEXZJJV-UHFFFAOYSA-N	1	0	364.453	1.784	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1Cn1c(C)nc2ccccc21	ZINC000535963364	540532285	/nfs/dbraw/zinc/53/22/85/540532285.db2.gz	MINMRYUEHAQUSG-HNNXBMFYSA-N	1	0	355.442	1.821	20	30		FDEDRO
CC(C)C(=O)NCCCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000536036765	540542831	/nfs/dbraw/zinc/54/28/31/540542831.db2.gz	UKTUENCYWOBYIS-UHFFFAOYSA-N	1	0	373.501	1.794	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)C(=O)c2cnn(C(C)(C)C)c2)c1C#N	ZINC000536304488	540576837	/nfs/dbraw/zinc/57/68/37/540576837.db2.gz	BPQLFTLTJNRIBB-UHFFFAOYSA-N	1	0	357.418	1.206	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)CC1	ZINC000537037942	540676877	/nfs/dbraw/zinc/67/68/77/540676877.db2.gz	JLVFYEHFXVXJOS-QYZOEREBSA-N	1	0	362.518	1.427	20	30		FDEDRO
C=CC[C@H](CO)CNC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1	ZINC000537085321	540683175	/nfs/dbraw/zinc/68/31/75/540683175.db2.gz	VAQQRNYJPBNJPS-ICSRJNTNSA-N	1	0	374.529	1.849	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1	ZINC000537147994	540691932	/nfs/dbraw/zinc/69/19/32/540691932.db2.gz	VUQQJLCAGBDUBP-UHFFFAOYSA-N	1	0	367.453	1.723	20	30		FDEDRO
COC[C@@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1	ZINC000537249000	540706335	/nfs/dbraw/zinc/70/63/35/540706335.db2.gz	NYEFEPQEFJXAFQ-HZPDHXFCSA-N	1	0	362.499	1.425	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2ccc(C3(C#N)CC3)cc2)CC1	ZINC000537470811	540732781	/nfs/dbraw/zinc/73/27/81/540732781.db2.gz	DLRIITDHEFBBRT-UHFFFAOYSA-N	1	0	368.481	1.914	20	30		FDEDRO
C[NH+](C)CCNC(=O)C1CCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1	ZINC000538685182	540879965	/nfs/dbraw/zinc/87/99/65/540879965.db2.gz	RASKYQSMAAGJFZ-UHFFFAOYSA-N	1	0	362.861	1.742	20	30		FDEDRO
C[C@@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1C#N)[N@@H+]1CCC[C@H](C)C1	ZINC000540967672	541125930	/nfs/dbraw/zinc/12/59/30/541125930.db2.gz	MHMCMBYKZMYBPZ-KBPBESRZSA-N	1	0	361.494	1.558	20	30		FDEDRO
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)n1	ZINC000541165314	541161018	/nfs/dbraw/zinc/16/10/18/541161018.db2.gz	RXAXPZBIWWIGBB-MRXNPFEDSA-N	1	0	370.844	1.726	20	30		FDEDRO
CC(=O)Nc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@@H](C)C#N)CC2)cc1	ZINC000541763437	541261146	/nfs/dbraw/zinc/26/11/46/541261146.db2.gz	KQTAVPDEPIWWDB-ZDUSSCGKSA-N	1	0	364.471	1.547	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@]2(C)CC[NH2+]C2)cc1	ZINC000269256092	674108128	/nfs/dbraw/zinc/10/81/28/674108128.db2.gz	OSRKLOZMLVGSHH-MNTXUITRSA-N	1	0	364.471	1.438	20	30		FDEDRO
C[C@H](C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1)n1cnc(C#N)n1	ZINC000542831980	541482135	/nfs/dbraw/zinc/48/21/35/541482135.db2.gz	WAJWGAMPRMNFQB-GFCCVEGCSA-N	1	0	373.848	1.755	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1	ZINC000543603934	541619611	/nfs/dbraw/zinc/61/96/11/541619611.db2.gz	ZMRDQVKTHOJRIM-INIZCTEOSA-N	1	0	352.504	1.478	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000275850753	181430600	/nfs/dbraw/zinc/43/06/00/181430600.db2.gz	HDCLLJCGTFTSPN-MSOLQXFVSA-N	1	0	370.453	1.299	20	30		FDEDRO
CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NCCCC#N)c2)CC1	ZINC000544154564	541725038	/nfs/dbraw/zinc/72/50/38/541725038.db2.gz	KXKMAPZXQARDST-UHFFFAOYSA-N	1	0	357.458	1.575	20	30		FDEDRO
Cn1ccc(CCNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000544854953	541843576	/nfs/dbraw/zinc/84/35/76/541843576.db2.gz	WLVFZLOACFLVPC-UHFFFAOYSA-N	1	0	366.469	1.752	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1)c1ccc(C#N)cc1	ZINC000283298848	182151781	/nfs/dbraw/zinc/15/17/81/182151781.db2.gz	AUBMTJIAHPYNIU-INIZCTEOSA-N	1	0	356.470	1.974	20	30		FDEDRO
Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](CC2CCOCC2)CC1	ZINC000283305724	182153128	/nfs/dbraw/zinc/15/31/28/182153128.db2.gz	XTBGHNJDUGHQMI-UHFFFAOYSA-N	1	0	366.469	1.902	20	30		FDEDRO
CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCc1cccc(C#N)c1)c1ccco1	ZINC000283508185	182201829	/nfs/dbraw/zinc/20/18/29/182201829.db2.gz	BJJGZKUAUWNHEV-KRWDZBQOSA-N	1	0	368.437	1.967	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)c1ccc(C#N)cc1	ZINC000284174569	182389355	/nfs/dbraw/zinc/38/93/55/182389355.db2.gz	ZBMHXISRBMNXPK-KXBFYZLASA-N	1	0	368.481	1.926	20	30		FDEDRO
CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(CC(=O)Nc2oc(C)c(C)c2C#N)C1	ZINC000286269694	183028145	/nfs/dbraw/zinc/02/81/45/183028145.db2.gz	GESPBFKGBTYIHQ-HOTGVXAUSA-N	1	0	360.458	1.892	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC[N@H+]1CC=C(C)CC1	ZINC000546576846	542170255	/nfs/dbraw/zinc/17/02/55/542170255.db2.gz	HODTWJFKROFOJH-UHFFFAOYSA-N	1	0	366.469	1.919	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)n1	ZINC000286624526	183113461	/nfs/dbraw/zinc/11/34/61/183113461.db2.gz	VDKPNOUAGPKLMK-UHFFFAOYSA-N	1	0	353.430	1.245	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)CC3(C#N)CCCC3)C2)CC1	ZINC000546769222	542222354	/nfs/dbraw/zinc/22/23/54/542222354.db2.gz	OUPHAJLCLGVZKZ-INIZCTEOSA-N	1	0	354.520	1.112	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C	ZINC000288121052	183399927	/nfs/dbraw/zinc/39/99/27/183399927.db2.gz	KBNWIRNZNHZJAA-WMLDXEAASA-N	1	0	370.453	1.981	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1	ZINC000291740622	183817092	/nfs/dbraw/zinc/81/70/92/183817092.db2.gz	SFUBJDAQKSYKLD-QGZVFWFLSA-N	1	0	357.458	1.989	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](C(=O)N[C@@H]3CCC[N@@H+](CCCO)C3)C2)c(F)c1	ZINC000295459981	184073926	/nfs/dbraw/zinc/07/39/26/184073926.db2.gz	MRRJLTJOLYMWME-IAGOWNOFSA-N	1	0	374.460	1.487	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNc3ncc(C#N)cc3[N+](=O)[O-])cn2)CC1	ZINC000296568245	184179474	/nfs/dbraw/zinc/17/94/74/184179474.db2.gz	QESDREURFCNSJQ-UHFFFAOYSA-N	1	0	353.386	1.620	20	30		FDEDRO
Cc1nsc(NC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1C#N	ZINC000297385974	184265272	/nfs/dbraw/zinc/26/52/72/184265272.db2.gz	IYOIDGVHNLXERL-CYBMUJFWSA-N	1	0	364.475	1.387	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)Cc2cccc(C#N)c2)[C@H](C)C1	ZINC000298007790	184374020	/nfs/dbraw/zinc/37/40/20/184374020.db2.gz	KUGFDBIAHFZQFR-CRAIPNDOSA-N	1	0	356.470	1.705	20	30		FDEDRO
CC[N@@H+]1CC[C@H](CNC(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1	ZINC000547318616	542310994	/nfs/dbraw/zinc/31/09/94/542310994.db2.gz	AUJGDUDJNPOUOV-OAHLLOKOSA-N	1	0	353.430	1.911	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CC)C2)c1	ZINC000547439235	542339794	/nfs/dbraw/zinc/33/97/94/542339794.db2.gz	LLJNZBIHVOFTMO-HNNXBMFYSA-N	1	0	365.499	1.613	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)c1ccc(C(N)=O)cc1)C(C)C	ZINC000547712614	542426013	/nfs/dbraw/zinc/42/60/13/542426013.db2.gz	HEFHIPGMGKHBEJ-QGZVFWFLSA-N	1	0	365.499	1.762	20	30		FDEDRO
C[C@H]1C[C@H](C)[NH+]1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000547769491	542441556	/nfs/dbraw/zinc/44/15/56/542441556.db2.gz	DIPYAAGPEIIHBO-KBPBESRZSA-N	1	0	369.425	1.938	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2nnn(C)n2)[C@H](C[NH2+]Cc2ccc(C#N)cc2F)C1	ZINC001087200980	781977454	/nfs/dbraw/zinc/97/74/54/781977454.db2.gz	WWTYYHLHOLVWJX-DOMZBBRYSA-N	1	0	371.420	1.251	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(COC(C)(C)C)on2)c1C#N	ZINC000548110610	542557804	/nfs/dbraw/zinc/55/78/04/542557804.db2.gz	GXTCZQDXRARYQV-UHFFFAOYSA-N	1	0	360.418	1.989	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCC#Cc2cccc(F)c2)CC1	ZINC000549209573	542852715	/nfs/dbraw/zinc/85/27/15/542852715.db2.gz	STSJQDLFRCNIIR-HXUWFJFHSA-N	1	0	372.488	1.989	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000549424166	542883339	/nfs/dbraw/zinc/88/33/39/542883339.db2.gz	MIQPFNFQXBPFTH-UHFFFAOYSA-N	1	0	363.465	1.809	20	30		FDEDRO
CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)cc1	ZINC000549764940	542934013	/nfs/dbraw/zinc/93/40/13/542934013.db2.gz	ZZACDZMRIQROHG-UHFFFAOYSA-N	1	0	370.438	1.141	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1	ZINC000549769161	542934404	/nfs/dbraw/zinc/93/44/04/542934404.db2.gz	UEKIJZPOZPCVBN-UHFFFAOYSA-N	1	0	363.465	1.939	20	30		FDEDRO
CCNC(=O)COc1cccc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)c1	ZINC000550111891	543009690	/nfs/dbraw/zinc/00/96/90/543009690.db2.gz	ICXPKEULKJPZMN-UHFFFAOYSA-N	1	0	364.409	1.406	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000550343802	543074474	/nfs/dbraw/zinc/07/44/74/543074474.db2.gz	LXTZWOAWCYABHZ-CALCHBBNSA-N	1	0	355.486	1.892	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1	ZINC000551849154	543353735	/nfs/dbraw/zinc/35/37/35/543353735.db2.gz	RQKPTAZWGVBFET-GDBMZVCRSA-N	1	0	351.491	1.463	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2C(=O)N2CCSCC2)cc1	ZINC000067117893	172006074	/nfs/dbraw/zinc/00/60/74/172006074.db2.gz	QVGFCRUNPXYYGJ-QGZVFWFLSA-N	1	0	372.494	1.927	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000091235726	172279670	/nfs/dbraw/zinc/27/96/70/172279670.db2.gz	YWIHDZRNUJMMPJ-AWEZNQCLSA-N	1	0	360.462	1.439	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1	ZINC000127420923	173075540	/nfs/dbraw/zinc/07/55/40/173075540.db2.gz	NBBQJCGVFOCJKI-ZWKOTPCHSA-N	1	0	363.483	1.604	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@H](CN4CCOCC4)C3)C2=O)cc1	ZINC000129678047	173147316	/nfs/dbraw/zinc/14/73/16/173147316.db2.gz	CSESUUJWTIWLSV-IEBWSBKVSA-N	1	0	354.454	1.318	20	30		FDEDRO
COCCC(=O)N1CCC([NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)CC1	ZINC000133312050	173261379	/nfs/dbraw/zinc/26/13/79/173261379.db2.gz	BSDXVORNBKKPJY-CQSZACIVSA-N	1	0	358.442	1.502	20	30		FDEDRO
C[C@@H]1OCC[C@H]1S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000135520500	173347134	/nfs/dbraw/zinc/34/71/34/173347134.db2.gz	LLUQKNKNOAGRRQ-WMLDXEAASA-N	1	0	351.472	1.429	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1CNS(=O)(=O)c1ccccc1C#N	ZINC000156904676	173603232	/nfs/dbraw/zinc/60/32/32/173603232.db2.gz	WTVNHRQVPHDNHK-UHFFFAOYSA-N	1	0	359.451	1.977	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCCCC[N@H+]2CCC[C@@H]2CO)cc1Cl	ZINC000161734898	173749636	/nfs/dbraw/zinc/74/96/36/173749636.db2.gz	YPGQMNJFXVOPGJ-CQSZACIVSA-N	1	0	371.890	1.727	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c1	ZINC000175765144	174027113	/nfs/dbraw/zinc/02/71/13/174027113.db2.gz	JBNWVJWONNKLJH-UHFFFAOYSA-N	1	0	357.458	1.341	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1	ZINC000176278088	174062869	/nfs/dbraw/zinc/06/28/69/174062869.db2.gz	VSBDEPBNWBSOOL-LZLYRXPVSA-N	1	0	352.438	1.830	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)cc1	ZINC000177451591	174133031	/nfs/dbraw/zinc/13/30/31/174133031.db2.gz	KCVUCRCPLRFFJE-PXNSSMCTSA-N	1	0	360.454	1.958	20	30		FDEDRO
CNC(=O)CN1CCC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1	ZINC000181478704	174228062	/nfs/dbraw/zinc/22/80/62/174228062.db2.gz	CAHGYUTVGLYSCJ-UHFFFAOYSA-N	1	0	369.513	1.323	20	30		FDEDRO
CN(C)C(=O)[C@H]1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)O1	ZINC000180359685	258367100	/nfs/dbraw/zinc/36/71/00/258367100.db2.gz	JFPKSSXDGPOKCZ-ZWKOTPCHSA-N	1	0	367.453	1.684	20	30		FDEDRO
C[NH+](C)CCN1C[C@H](C(=O)NCCSCc2ccccc2C#N)CC1=O	ZINC000173680053	258307549	/nfs/dbraw/zinc/30/75/49/258307549.db2.gz	ZPNXDGWEQMBRBD-QGZVFWFLSA-N	1	0	374.510	1.318	20	30		FDEDRO
C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000176557041	258324511	/nfs/dbraw/zinc/32/45/11/258324511.db2.gz	IVBLXOZXKXDAHJ-IRXDYDNUSA-N	1	0	356.474	1.658	20	30		FDEDRO
C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1	ZINC000279496613	258561079	/nfs/dbraw/zinc/56/10/79/258561079.db2.gz	VMMMVWZEVFJAJS-OAHLLOKOSA-N	1	0	359.474	1.996	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCc2cccc(OCC)c2)CC1	ZINC000553733743	543688613	/nfs/dbraw/zinc/68/86/13/543688613.db2.gz	CLHVRTMILRWXBP-UHFFFAOYSA-N	1	0	373.497	1.901	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CCN(C)[C@H](C(C)C)C1	ZINC000553993024	543729955	/nfs/dbraw/zinc/72/99/55/543729955.db2.gz	WYXFTXSYXGOZRK-KRWDZBQOSA-N	1	0	359.470	1.666	20	30		FDEDRO
COCC[N@H+](C)CCOc1cccc(CNc2nc(C)cc(C#N)n2)c1	ZINC000557561288	544309219	/nfs/dbraw/zinc/30/92/19/544309219.db2.gz	UOXDFDZMCQRYGJ-UHFFFAOYSA-N	1	0	355.442	2.226	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2c2cc(C)no2)CC1	ZINC000557768914	544344378	/nfs/dbraw/zinc/34/43/78/544344378.db2.gz	KZINNPXQCIYDJV-INIZCTEOSA-N	1	0	360.458	1.803	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1	ZINC000558455464	544436431	/nfs/dbraw/zinc/43/64/31/544436431.db2.gz	NTGPCRUMCLONGO-QZTJIDSGSA-N	1	0	364.534	1.474	20	30		FDEDRO
CNC(=O)COc1cccc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)c1	ZINC000559253065	544613163	/nfs/dbraw/zinc/61/31/63/544613163.db2.gz	AGKLNXUEQSSGNX-UHFFFAOYSA-N	1	0	350.382	1.016	20	30		FDEDRO
Cn1c(N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c(C#N)c(=O)n(C)c1=O	ZINC000301184947	259022884	/nfs/dbraw/zinc/02/28/84/259022884.db2.gz	RHFLUPDOMAPKED-UHFFFAOYSA-N	1	0	367.453	1.056	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](N3C[C@@H]4CCS(=O)(=O)[C@@H]4C3)C2=O)cc1	ZINC000329157333	259080560	/nfs/dbraw/zinc/08/05/60/259080560.db2.gz	DDMGJGLYDNKYIJ-BHYGNILZSA-N	1	0	359.451	1.173	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)ccc1F	ZINC000286250802	675893215	/nfs/dbraw/zinc/89/32/15/675893215.db2.gz	VDNHCUXUIVSOHR-MQIPJXDCSA-N	1	0	369.462	1.406	20	30		FDEDRO
C[C@H]1CCN(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)C1	ZINC000330750342	259160654	/nfs/dbraw/zinc/16/06/54/259160654.db2.gz	UUSKRMTYJDPZRS-HNNXBMFYSA-N	1	0	350.488	1.508	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1	ZINC000331822044	259221971	/nfs/dbraw/zinc/22/19/71/259221971.db2.gz	PQCQXMZVQPLRHG-ZNMIVQPWSA-N	1	0	357.458	1.639	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1	ZINC000332096935	259241153	/nfs/dbraw/zinc/24/11/53/259241153.db2.gz	PUXMXSZEQBVCBX-WBMJQRKESA-N	1	0	354.458	1.749	20	30		FDEDRO
C[C@@H]1C[C@H](N(C)C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC[N@@H+]1C	ZINC000332415996	259265165	/nfs/dbraw/zinc/26/51/65/259265165.db2.gz	UJTYREOSTXNXOB-CXAGYDPISA-N	1	0	352.442	1.881	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(c2cccc(F)c2C#N)CC1)[C@@H]1CCC[NH2+]C1	ZINC000333638937	259365513	/nfs/dbraw/zinc/36/55/13/259365513.db2.gz	HUGAWZGNAYVQQP-LSDHHAIUSA-N	1	0	359.449	1.917	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)C2=O)cc1	ZINC000333641611	259365801	/nfs/dbraw/zinc/36/58/01/259365801.db2.gz	UMECQRXQGWJIBJ-NJAFHUGGSA-N	1	0	367.453	1.447	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1	ZINC000333914295	259393476	/nfs/dbraw/zinc/39/34/76/259393476.db2.gz	MJLROFMONPBLDM-SLFFLAALSA-N	1	0	367.497	1.774	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1	ZINC000364851368	259789612	/nfs/dbraw/zinc/78/96/12/259789612.db2.gz	WQILSKFIBWGPSY-HNNXBMFYSA-N	1	0	357.458	1.750	20	30		FDEDRO
CN(CCN1CCOCC1)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1	ZINC000367531013	260056187	/nfs/dbraw/zinc/05/61/87/260056187.db2.gz	KXFQBQOAVULJOQ-UHFFFAOYSA-N	1	0	374.460	1.704	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnn2c1OCCC2	ZINC000368056437	260128798	/nfs/dbraw/zinc/12/87/98/260128798.db2.gz	BDHRNXHNALLOPD-UHFFFAOYSA-N	1	0	353.426	1.741	20	30		FDEDRO
COC(=O)[C@]12CCC[C@H]1C[N@@H+]([C@H]1CC(=O)N(c3ccc(C#N)cc3)C1=O)C2	ZINC000368078027	260132003	/nfs/dbraw/zinc/13/20/03/260132003.db2.gz	XGVNZOPYVVALFL-UVFQYZLESA-N	1	0	367.405	1.465	20	30		FDEDRO
CCCn1nc2c(cc1=O)C[N@@H+](CCOc1ccc(C#N)cc1OC)CC2	ZINC000368694306	260222695	/nfs/dbraw/zinc/22/26/95/260222695.db2.gz	LNIOPCDAKCVFPS-UHFFFAOYSA-N	1	0	368.437	1.971	20	30		FDEDRO
Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2CC(=O)NCc2cccc(C#N)c2)cn1	ZINC000369228406	260317247	/nfs/dbraw/zinc/31/72/47/260317247.db2.gz	QWQTWUJPRUYMQM-MOPGFXCFSA-N	1	0	367.453	1.496	20	30		FDEDRO
C[C@H]1CCCC[C@@H]1OCCNC(=O)CN1CCC(n2cnc(C#N)n2)CC1	ZINC000373405013	261008223	/nfs/dbraw/zinc/00/82/23/261008223.db2.gz	NLUCNHVSUDLFQN-RDJZCZTQSA-N	1	0	374.489	1.498	20	30		FDEDRO
C[C@@H]1CCC[N@H+](CCNC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1	ZINC000373701660	261032331	/nfs/dbraw/zinc/03/23/31/261032331.db2.gz	SXSXZZFIQJJOIZ-VQIMIIECSA-N	1	0	368.481	1.897	20	30		FDEDRO
CN1CC[NH+](CC2CCN(C(=O)NCCc3cccc(C#N)c3)CC2)CC1	ZINC000374193182	261091745	/nfs/dbraw/zinc/09/17/45/261091745.db2.gz	KLDUVXKIHNJFGG-UHFFFAOYSA-N	1	0	369.513	1.770	20	30		FDEDRO
Cn1cc(CN2CCCN(C(=O)c3ccc(C#N)c(Cl)n3)CC2)cn1	ZINC000375090357	261266007	/nfs/dbraw/zinc/26/60/07/261266007.db2.gz	MFTSAAXBAQTGHF-UHFFFAOYSA-N	1	0	358.833	1.688	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1	ZINC000409725149	262136572	/nfs/dbraw/zinc/13/65/72/262136572.db2.gz	RCZSXFQIHXJHHU-INIZCTEOSA-N	1	0	374.485	1.417	20	30		FDEDRO
C[C@H](C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)n1cnc(C#N)n1	ZINC000409924466	262145120	/nfs/dbraw/zinc/14/51/20/262145120.db2.gz	TWYHTHWUQLAWSR-ZMSDIMECSA-N	1	0	352.442	1.738	20	30		FDEDRO
C[NH+]1CCN(CCNC(=O)c2ccc(Br)cc2C#N)CC1	ZINC000294553454	676389066	/nfs/dbraw/zinc/38/90/66/676389066.db2.gz	VXMQLJVBKUXZEE-UHFFFAOYSA-N	1	0	351.248	1.298	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCCSC[C@H]3C)CC2)o1	ZINC000934299379	782079655	/nfs/dbraw/zinc/07/96/55/782079655.db2.gz	GLMWJBIAXFMUBG-CYBMUJFWSA-N	1	0	363.487	1.331	20	30		FDEDRO
C[NH+](C)CCCOc1cnccc1CNC(=O)CNc1ccc(C#N)cn1	ZINC000495091829	489926729	/nfs/dbraw/zinc/92/67/29/489926729.db2.gz	FSEZDFVBIHXCKM-UHFFFAOYSA-N	1	0	368.441	1.407	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)n1	ZINC000540263349	490811597	/nfs/dbraw/zinc/81/15/97/490811597.db2.gz	SKYYVYGDDWJVCL-OAHLLOKOSA-N	1	0	358.446	1.361	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1	ZINC000022695715	518907928	/nfs/dbraw/zinc/90/79/28/518907928.db2.gz	QVLJCKPEFFWRRE-UHFFFAOYSA-N	1	0	363.483	1.204	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1cccc(OCC#N)c1)[N@@H+]1CCC[C@@H](C)C1	ZINC000041654222	519663808	/nfs/dbraw/zinc/66/38/08/519663808.db2.gz	CVOSJYWJEHQIAI-CABCVRRESA-N	1	0	358.442	1.764	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)N2CCCCC2)CC1	ZINC000043587062	521874421	/nfs/dbraw/zinc/87/44/21/521874421.db2.gz	VQISUZLZIITFJX-CQSZACIVSA-N	1	0	350.463	1.111	20	30		FDEDRO
Cn1nc(CC(=O)N(CCC#N)CCC[NH+](C)C)c2ccccc2c1=O	ZINC000069576478	521918519	/nfs/dbraw/zinc/91/85/19/521918519.db2.gz	NOJJDDPYZKLXNS-UHFFFAOYSA-N	1	0	355.442	1.170	20	30		FDEDRO
N#CCOc1ccc(CC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1	ZINC000069710320	521939400	/nfs/dbraw/zinc/93/94/00/521939400.db2.gz	DCBCCGVSMYXRFY-GOSISDBHSA-N	1	0	357.454	1.702	20	30		FDEDRO
N#CCCN(C(=O)CN1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1	ZINC000069859649	521964365	/nfs/dbraw/zinc/96/43/65/521964365.db2.gz	RXFWTBBUWXNCRC-IBGZPJMESA-N	1	0	370.497	1.977	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)NCCC[NH+]2CCCC2)c1	ZINC000070801724	522036709	/nfs/dbraw/zinc/03/67/09/522036709.db2.gz	LEFVZTLUPSDJEN-UHFFFAOYSA-N	1	0	358.442	1.910	20	30		FDEDRO
C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)CSCC#N)CC1	ZINC000070888520	522048238	/nfs/dbraw/zinc/04/82/38/522048238.db2.gz	JICONKHUBOJSSN-UHFFFAOYSA-N	1	0	354.520	1.186	20	30		FDEDRO
N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C[NH+]2CCCCC2)CC1	ZINC000045958274	522196278	/nfs/dbraw/zinc/19/62/78/522196278.db2.gz	CRFBODKAYKWESJ-UHFFFAOYSA-N	1	0	369.425	1.941	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000058491482	522265760	/nfs/dbraw/zinc/26/57/60/522265760.db2.gz	XEBNBZRVEQGWOW-AWEZNQCLSA-N	1	0	360.483	1.990	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)NCC[N@H+]2CCCC[C@H]2C)cc1	ZINC000046857851	522372655	/nfs/dbraw/zinc/37/26/55/522372655.db2.gz	RXMDERFVBZUHOP-OAHLLOKOSA-N	1	0	363.483	1.202	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@]2(CNC(=O)C2)C1)C(C)C	ZINC000073710736	522592956	/nfs/dbraw/zinc/59/29/56/522592956.db2.gz	HITQEHVMZBTOSP-XLIONFOSSA-N	1	0	362.518	1.997	20	30		FDEDRO
CCN(C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)[C@@H](C)c1ccc(C#N)cc1	ZINC000074228078	522723085	/nfs/dbraw/zinc/72/30/85/522723085.db2.gz	GGDDZDUYRKOQLJ-YJBOKZPZSA-N	1	0	356.470	1.878	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)NCc2cc(C#N)ccc2F)CC1	ZINC000074657941	522810964	/nfs/dbraw/zinc/81/09/64/522810964.db2.gz	PMQTZNBQQPCEOZ-HNNXBMFYSA-N	1	0	361.465	1.770	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H](C)c2cccc(C#N)c2)CC1	ZINC000074918609	522854231	/nfs/dbraw/zinc/85/42/31/522854231.db2.gz	PALXENKOPPENFU-MRXNPFEDSA-N	1	0	371.485	1.815	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NCCC[N@@H+]1CCCC[C@H]1C	ZINC000050148111	522892165	/nfs/dbraw/zinc/89/21/65/522892165.db2.gz	OCUPQOWMXQPNRA-CQSZACIVSA-N	1	0	358.442	1.886	20	30		FDEDRO
CCN(CCC#N)C(=O)CN1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000075935770	522995371	/nfs/dbraw/zinc/99/53/71/522995371.db2.gz	VSDVICNJZQMZNB-IRXDYDNUSA-N	1	0	350.507	1.570	20	30		FDEDRO
N#CCCN(C(=O)CN1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1	ZINC000051958764	523099263	/nfs/dbraw/zinc/09/92/63/523099263.db2.gz	CBJJBHWGGNVOGD-UHFFFAOYSA-N	1	0	370.497	1.977	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1	ZINC000076485879	523123830	/nfs/dbraw/zinc/12/38/30/523123830.db2.gz	LCVCARQQHVXVGS-INIZCTEOSA-N	1	0	358.486	1.810	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OCC(C)C)nc2)CC1	ZINC000076512780	523126966	/nfs/dbraw/zinc/12/69/66/523126966.db2.gz	ALQGBLMUUWTOSA-UHFFFAOYSA-N	1	0	360.458	1.822	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3C)CC1	ZINC000076526048	523129580	/nfs/dbraw/zinc/12/95/80/523129580.db2.gz	AZUSOSDWJQODOA-UHFFFAOYSA-N	1	0	370.453	1.301	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1	ZINC000076512967	523129611	/nfs/dbraw/zinc/12/96/11/523129611.db2.gz	HKFBGBDORJZJCC-UHFFFAOYSA-N	1	0	370.453	1.519	20	30		FDEDRO
CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000076601949	523146756	/nfs/dbraw/zinc/14/67/56/523146756.db2.gz	AYSWELCXGZFPAW-LLVKDONJSA-N	1	0	368.384	1.945	20	30		FDEDRO
COc1ccc(C)cc1N1C[C@H](C(=O)NC2(C#N)CC[NH+](C)CC2)CC1=O	ZINC000077037821	523238573	/nfs/dbraw/zinc/23/85/73/523238573.db2.gz	DOQJGEBOEBZNPF-OAHLLOKOSA-N	1	0	370.453	1.461	20	30		FDEDRO
C[C@H](c1ccccc1)N1C[C@@H](C(=O)NC2(C#N)CC[NH+](C)CC2)CC1=O	ZINC000077038338	523239180	/nfs/dbraw/zinc/23/91/80/523239180.db2.gz	DQHVYXWEVGFFKG-WBVHZDCISA-N	1	0	354.454	1.700	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(CCN3CCOCC3)cc2)CC1	ZINC000066921738	523266589	/nfs/dbraw/zinc/26/65/89/523266589.db2.gz	JPHFOIUQEMHQTE-UHFFFAOYSA-N	1	0	355.482	1.845	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(OC)cc2)CC1	ZINC000067163862	523346152	/nfs/dbraw/zinc/34/61/52/523346152.db2.gz	YQORLQFNGOOMRE-IBGZPJMESA-N	1	0	369.465	1.970	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+]1CCCC[C@H]1C	ZINC000067345438	523397003	/nfs/dbraw/zinc/39/70/03/523397003.db2.gz	RHQQKJHGHHAVCJ-CQSZACIVSA-N	1	0	358.442	1.886	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)NCCCN2CC[NH+](CC)CC2)c1	ZINC000067345764	523397580	/nfs/dbraw/zinc/39/75/80/523397580.db2.gz	AXXYBXNUNZWVGD-UHFFFAOYSA-N	1	0	374.485	1.334	20	30		FDEDRO
C[N@@H+](Cc1cccc(C#N)c1)C[C@@H](O)Cn1c(=O)onc1-c1ccccc1	ZINC000067427788	523446306	/nfs/dbraw/zinc/44/63/06/523446306.db2.gz	NZPLEPKYPKYEET-GOSISDBHSA-N	1	0	364.405	1.868	20	30		FDEDRO
C=C(C)COc1cccc(NC(=O)C(=O)NCCN2CC[NH+](CC)CC2)c1	ZINC000067497706	523474663	/nfs/dbraw/zinc/47/46/63/523474663.db2.gz	OMYQTDSEIRNUPZ-UHFFFAOYSA-N	1	0	374.485	1.334	20	30		FDEDRO
C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC(=O)N1CCOCC1	ZINC000078370465	523570946	/nfs/dbraw/zinc/57/09/46/523570946.db2.gz	DJECCPVIVGSICU-UHFFFAOYSA-N	1	0	364.833	1.331	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1	ZINC000067781738	523579801	/nfs/dbraw/zinc/57/98/01/523579801.db2.gz	FPHZPPXVFDJIMM-OAHLLOKOSA-N	1	0	372.469	1.387	20	30		FDEDRO
Cc1csc(CNC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)n1	ZINC000079175758	523719429	/nfs/dbraw/zinc/71/94/29/523719429.db2.gz	SOHHYJGKBWRKNX-CYBMUJFWSA-N	1	0	370.544	1.864	20	30		FDEDRO
Cc1cc(CNC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)ccc1F	ZINC000079350218	523740006	/nfs/dbraw/zinc/74/00/06/523740006.db2.gz	NPAHCIVDLUZZED-CQSZACIVSA-N	1	0	353.463	1.766	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[N@@H+](C(C)C)CC2)cc1	ZINC000068781529	523857392	/nfs/dbraw/zinc/85/73/92/523857392.db2.gz	VNBVKIMOINZJDU-UHFFFAOYSA-N	1	0	363.483	1.154	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1	ZINC000080466201	523881904	/nfs/dbraw/zinc/88/19/04/523881904.db2.gz	PXUKEIVUJVNEGS-KRWDZBQOSA-N	1	0	370.497	1.986	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C1	ZINC000080794776	523907026	/nfs/dbraw/zinc/90/70/26/523907026.db2.gz	ANFHKPTXFHASOB-OAHLLOKOSA-N	1	0	369.462	1.819	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2cccc(C#N)c2)C1	ZINC000080794386	523907430	/nfs/dbraw/zinc/90/74/30/523907430.db2.gz	YRCXCGDCKRHXGM-INIZCTEOSA-N	1	0	351.472	1.680	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cnn(CC(F)F)c2)CC1	ZINC000156638190	524120841	/nfs/dbraw/zinc/12/08/41/524120841.db2.gz	MTBLKZKLDKOSLT-UHFFFAOYSA-N	1	0	355.389	1.243	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(N3CCCNC3=O)CC2)cc1	ZINC000135433265	524143633	/nfs/dbraw/zinc/14/36/33/524143633.db2.gz	PEJUNTMDBGEQCR-SFHVURJKSA-N	1	0	372.469	1.372	20	30		FDEDRO
Cn1cc(N2CC[C@H](O/[NH+]=C/c3ccc(N4CCOCC4)cc3)C2=O)cn1	ZINC000111175812	524210636	/nfs/dbraw/zinc/21/06/36/524210636.db2.gz	VRRJSLQSIFVBOY-IUOVYFEOSA-N	1	0	369.425	1.413	20	30		FDEDRO
COc1ccc(CNC(=O)CNC(=[NH2+])N[C@H]2CCOc3ccccc32)cc1	ZINC000083033744	524235324	/nfs/dbraw/zinc/23/53/24/524235324.db2.gz	MFFDNHUJNGNXCZ-KRWDZBQOSA-N	1	0	368.437	1.740	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccc(CNS(=O)(=O)CCCC#N)cc2)CC1	ZINC000111329069	524260812	/nfs/dbraw/zinc/26/08/12/524260812.db2.gz	GUWDHHQQOMCSJI-UHFFFAOYSA-N	1	0	364.515	1.547	20	30		FDEDRO
C[NH+](C)CC(C)(C)CNC(=O)C1CCN(S(=O)(=O)CCCC#N)CC1	ZINC000111331904	524262125	/nfs/dbraw/zinc/26/21/25/524262125.db2.gz	MTZKULQMLORORN-UHFFFAOYSA-N	1	0	372.535	1.036	20	30		FDEDRO
C[C@H](NS(=O)(=O)CCCC#N)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000111336779	524263893	/nfs/dbraw/zinc/26/38/93/524263893.db2.gz	CSFBQBZHZQXCKI-AWEZNQCLSA-N	1	0	368.478	1.862	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)N1CCCN(C(=O)COc2ccccc2)CC1	ZINC000140646789	524318092	/nfs/dbraw/zinc/31/80/92/524318092.db2.gz	OILDHYFDPWSAJV-QGZVFWFLSA-N	1	0	372.469	1.360	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000141530389	524335263	/nfs/dbraw/zinc/33/52/63/524335263.db2.gz	NOKQCFWNSCLGRL-KRWDZBQOSA-N	1	0	361.467	1.170	20	30		FDEDRO
C=CCOc1ccc(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1OC	ZINC000121876869	524392801	/nfs/dbraw/zinc/39/28/01/524392801.db2.gz	BRHWKWMETIEEQG-MRXNPFEDSA-N	1	0	361.486	1.873	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(CN2CCCCC2=O)CC1	ZINC000173447522	524395751	/nfs/dbraw/zinc/39/57/51/524395751.db2.gz	WIOJEWLCBKVEEV-CQSZACIVSA-N	1	0	350.463	1.111	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)CC1	ZINC000121949940	524414895	/nfs/dbraw/zinc/41/48/95/524414895.db2.gz	JLXCTBHDPXVMFA-ZDUSSCGKSA-N	1	0	371.445	1.403	20	30		FDEDRO
CCC[C@H]1CN(CC(=O)Nc2sccc2C#N)CC[N@@H+]1CCOC	ZINC000121964703	524418637	/nfs/dbraw/zinc/41/86/37/524418637.db2.gz	VYYSIACNJJOQQH-HNNXBMFYSA-N	1	0	350.488	1.991	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccccc1-n1cccn1	ZINC000122076855	524444835	/nfs/dbraw/zinc/44/48/35/524444835.db2.gz	PJZWEGXFCXMDIF-UHFFFAOYSA-N	1	0	368.441	1.505	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1	ZINC000122116645	524455063	/nfs/dbraw/zinc/45/50/63/524455063.db2.gz	WWKVZLOXJULZRN-MRXNPFEDSA-N	1	0	359.405	1.468	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc(-c2ncco2)c1	ZINC000122138740	524459297	/nfs/dbraw/zinc/45/92/97/524459297.db2.gz	XIDLORGJVATXOX-UHFFFAOYSA-N	1	0	369.425	1.974	20	30		FDEDRO
CCC[NH+]1CCC(N2CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC2)CC1	ZINC000112358374	524467799	/nfs/dbraw/zinc/46/77/99/524467799.db2.gz	DDJJEIGROPBJDS-HXUWFJFHSA-N	1	0	363.550	1.533	20	30		FDEDRO
Cc1nccn1CCCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000089120438	524475991	/nfs/dbraw/zinc/47/59/91/524475991.db2.gz	ARYSFORQWHKWOG-HNNXBMFYSA-N	1	0	362.478	1.462	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1	ZINC000112543220	524503046	/nfs/dbraw/zinc/50/30/46/524503046.db2.gz	VJSWWJJJXQQNMC-SFHVURJKSA-N	1	0	370.453	1.600	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(Br)c[nH]2)c1C#N	ZINC000089662924	524518276	/nfs/dbraw/zinc/51/82/76/524518276.db2.gz	GZKILLFDBCOPFL-UHFFFAOYSA-N	1	0	351.208	1.776	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)Cc2c(OC)cccc2OC)c1C#N	ZINC000089662772	524518364	/nfs/dbraw/zinc/51/83/64/524518364.db2.gz	QUDQCAQBUUPMBX-UHFFFAOYSA-N	1	0	357.414	1.632	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)Cc2cccc(OCC#N)c2)CC1	ZINC000089849987	524535084	/nfs/dbraw/zinc/53/50/84/524535084.db2.gz	KIPXPUUYDHVQKE-QGZVFWFLSA-N	1	0	358.486	1.521	20	30		FDEDRO
CC1CCN(C(=[NH2+])NCCC(=O)N2CCN(c3ccccn3)CC2)CC1	ZINC000122484260	524547982	/nfs/dbraw/zinc/54/79/82/524547982.db2.gz	FLNSAJDPGPXLJM-UHFFFAOYSA-N	1	0	358.490	1.167	20	30		FDEDRO
COc1ccccc1N1CC[C@@H]([N@H+](C)CCCc2[nH]nc(N)c2C#N)C1=O	ZINC000089942756	524554888	/nfs/dbraw/zinc/55/48/88/524554888.db2.gz	DLFWHPATBUVLHW-MRXNPFEDSA-N	1	0	368.441	1.542	20	30		FDEDRO
COc1cccc(CNC(=O)[C@H](C)[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1	ZINC000089943553	524556370	/nfs/dbraw/zinc/55/63/70/524556370.db2.gz	IGXSTJYWQYPNMX-ZDUSSCGKSA-N	1	0	370.457	1.441	20	30		FDEDRO
CCC[N@H+](CC)CCNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000174643672	524673284	/nfs/dbraw/zinc/67/32/84/524673284.db2.gz	MVTGSNOUIWLTGD-UHFFFAOYSA-N	1	0	351.472	1.321	20	30		FDEDRO
C[NH+]=C(NCCc1cn2ccccc2n1)N1CCN(c2ccccn2)CC1	ZINC000114069123	524741152	/nfs/dbraw/zinc/74/11/52/524741152.db2.gz	XFZGZQNMZSKPEK-UHFFFAOYSA-N	1	0	363.469	1.669	20	30		FDEDRO
Cc1nccn1CCC[N@@H+](C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000091632260	524748874	/nfs/dbraw/zinc/74/88/74/524748874.db2.gz	OJGFBMAHJLIFPF-GOSISDBHSA-N	1	0	360.506	1.206	20	30		FDEDRO
C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)Nc2ccn(CCC#N)n2)C1	ZINC000123706677	524813469	/nfs/dbraw/zinc/81/34/69/524813469.db2.gz	MHDOCVIHLBBSRN-IYBDPMFKSA-N	1	0	374.489	1.610	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1C#N	ZINC000160241962	524839270	/nfs/dbraw/zinc/83/92/70/524839270.db2.gz	WEFOFLRHXYUWQQ-AWEZNQCLSA-N	1	0	370.453	1.884	20	30		FDEDRO
C[N@H+](CC(=O)NC1(C#N)CCCCC1)CC(C)(C)CN1CCOCC1	ZINC000123879484	524853805	/nfs/dbraw/zinc/85/38/05/524853805.db2.gz	OYZYHPMGHARUOD-UHFFFAOYSA-N	1	0	350.507	1.619	20	30		FDEDRO
CCN(CCC#N)C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1	ZINC000123954421	524869905	/nfs/dbraw/zinc/86/99/05/524869905.db2.gz	UEAFYGURGQWPQV-UHFFFAOYSA-N	1	0	357.458	1.135	20	30		FDEDRO
C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@@H]1CN(C)CCO1	ZINC000152388759	524870427	/nfs/dbraw/zinc/87/04/27/524870427.db2.gz	IIMRVSBEAFYKQS-APWZRJJASA-N	1	0	373.501	1.351	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)CC1	ZINC000092619127	524899868	/nfs/dbraw/zinc/89/98/68/524899868.db2.gz	UCKGNULXXJGHMJ-FXAWDEMLSA-N	1	0	372.513	1.947	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[NH+](C3CCCC3)CC2)CC1	ZINC000092617360	524900600	/nfs/dbraw/zinc/90/06/00/524900600.db2.gz	DFWVYGGBJQPLOK-LJQANCHMSA-N	1	0	361.534	1.239	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)[C@@H]1CN(C)CCO1	ZINC000152485811	524903105	/nfs/dbraw/zinc/90/31/05/524903105.db2.gz	XVDTXETVPOXSNC-UHOSZYNNSA-N	1	0	371.485	1.125	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1	ZINC000124139173	524911680	/nfs/dbraw/zinc/91/16/80/524911680.db2.gz	RFNHAHWTCJLQPO-UKRRQHHQSA-N	1	0	363.483	1.506	20	30		FDEDRO
C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc(COc2ccccc2C#N)o1	ZINC000152533496	524917190	/nfs/dbraw/zinc/91/71/90/524917190.db2.gz	QINNFNUCCHRGTM-IBGZPJMESA-N	1	0	357.410	1.773	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@H](C(=O)NC)C1)C(C)C	ZINC000114931449	524917511	/nfs/dbraw/zinc/91/75/11/524917511.db2.gz	OKFDZEKRSJCCBU-IRXDYDNUSA-N	1	0	350.507	1.853	20	30		FDEDRO
Cc1cc(C(=O)NC2CC[NH+](CCC(=O)N(C)CCC#N)CC2)c(C)o1	ZINC000092795853	524917750	/nfs/dbraw/zinc/91/77/50/524917750.db2.gz	AALZGVMLAJKYQJ-UHFFFAOYSA-N	1	0	360.458	1.853	20	30		FDEDRO
N#Cc1c(F)cccc1N1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1	ZINC000092890522	524928590	/nfs/dbraw/zinc/92/85/90/524928590.db2.gz	IFMJOFBEMCZPGV-UHFFFAOYSA-N	1	0	364.388	1.582	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNC(=O)Cc2cccc(OCC#N)c2)ccn1	ZINC000124274731	524943503	/nfs/dbraw/zinc/94/35/03/524943503.db2.gz	MYANFPNKNIRGRT-UHFFFAOYSA-N	1	0	368.437	1.783	20	30		FDEDRO
C[C@@H](C(=O)Nc1ncccn1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000124312662	524952561	/nfs/dbraw/zinc/95/25/61/524952561.db2.gz	SNKPDLXRXNXIRK-INIZCTEOSA-N	1	0	364.453	1.883	20	30		FDEDRO
C[N@H+](CC(C)(C)CN1CCOCC1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000124465205	524996668	/nfs/dbraw/zinc/99/66/68/524996668.db2.gz	DYALCSGXGSVBDX-LJQANCHMSA-N	1	0	370.497	1.954	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCCC[C@H]2C[NH3+])c1	ZINC000124558721	525020102	/nfs/dbraw/zinc/02/01/02/525020102.db2.gz	QTFSAAVLXKVXMK-HOCLYGCPSA-N	1	0	351.472	1.398	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH+](CC3CC3)CC3CC3)CC2)o1	ZINC000115562722	525020906	/nfs/dbraw/zinc/02/09/06/525020906.db2.gz	GFMQATRTMKDOAD-UHFFFAOYSA-N	1	0	357.458	1.625	20	30		FDEDRO
CC(C)[N@H+](CC(=O)N1CCN(C(=O)C2CC2)CC1)Cc1ccc(C#N)cc1	ZINC000116121104	525103708	/nfs/dbraw/zinc/10/37/08/525103708.db2.gz	UFTLMXKOTHNWMD-UHFFFAOYSA-N	1	0	368.481	1.849	20	30		FDEDRO
C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000125119918	525146293	/nfs/dbraw/zinc/14/62/93/525146293.db2.gz	KCEHTYCMBRSOHA-JOYOIKCWSA-N	1	0	358.261	1.821	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153277017	525164480	/nfs/dbraw/zinc/16/44/80/525164480.db2.gz	NBGBFCNMEPDHOS-JTQLQIEISA-N	1	0	361.837	1.804	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2ccccc2N(C)S(C)(=O)=O)CC1	ZINC000176685769	525165705	/nfs/dbraw/zinc/16/57/05/525165705.db2.gz	DAZCGKIKWPMERW-UHFFFAOYSA-N	1	0	366.487	1.854	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153287889	525169218	/nfs/dbraw/zinc/16/92/18/525169218.db2.gz	XJLYKOXWFKOSMU-ZDUSSCGKSA-N	1	0	357.462	1.459	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCCN(C(=O)c3ccccc3)CC2)CC1	ZINC000098093208	525203077	/nfs/dbraw/zinc/20/30/77/525203077.db2.gz	NLRQITLWRPTDAF-UHFFFAOYSA-N	1	0	353.466	1.706	20	30		FDEDRO
C[NH+](C)C1CCN(CCNC(=O)/C=C/c2ccc(OCC#N)cc2)CC1	ZINC000177120778	525241931	/nfs/dbraw/zinc/24/19/31/525241931.db2.gz	ANQQDPSKLOGVQG-VMPITWQZSA-N	1	0	356.470	1.744	20	30		FDEDRO
N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCCN(C(N)=O)CC1)CCC2	ZINC000153593965	525257523	/nfs/dbraw/zinc/25/75/23/525257523.db2.gz	RZYHYNIOYHIBKY-UHFFFAOYSA-N	1	0	361.471	1.523	20	30		FDEDRO
C[NH+]=C(NCCOc1ccc(F)c(F)c1)N[C@H]1CCc2nc(C)nn2C1	ZINC000126016703	525264188	/nfs/dbraw/zinc/26/41/88/525264188.db2.gz	IQPVNRGRYQHQEM-LBPRGKRZSA-N	1	0	364.400	1.424	20	30		FDEDRO
CN(CC[N@H+](C)C1CCN(C)CC1)CC(=O)N(C)C1(C#N)CCCCC1	ZINC000177375288	525282421	/nfs/dbraw/zinc/28/24/21/525282421.db2.gz	VKYHYWKYAQGIQY-UHFFFAOYSA-N	1	0	363.550	1.629	20	30		FDEDRO
Cc1sc(NC(=O)CN2CC[NH+](CC(C)(C)O)CC2)c(C#N)c1C	ZINC000117107009	525285068	/nfs/dbraw/zinc/28/50/68/525285068.db2.gz	NGKOERVMSOYAPH-UHFFFAOYSA-N	1	0	350.488	1.564	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)Nc2cnn(CC)c2)CC1	ZINC000102398418	525285058	/nfs/dbraw/zinc/28/50/58/525285058.db2.gz	MJJDZYWIYDZNJC-HNNXBMFYSA-N	1	0	374.489	1.562	20	30		FDEDRO
C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1	ZINC000177527847	525307037	/nfs/dbraw/zinc/30/70/37/525307037.db2.gz	LDBJUNBKQHRXER-MRXNPFEDSA-N	1	0	358.442	1.860	20	30		FDEDRO
C=C(C)CNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1	ZINC000126535356	525322883	/nfs/dbraw/zinc/32/28/83/525322883.db2.gz	UFXOFGKQZODNPL-QGZVFWFLSA-N	1	0	372.469	1.484	20	30		FDEDRO
N#Cc1c(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)cn2ccccc12	ZINC000103150766	525332961	/nfs/dbraw/zinc/33/29/61/525332961.db2.gz	TVHNJYYCGNORFG-UHFFFAOYSA-N	1	0	351.454	1.551	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1	ZINC000178042695	525373495	/nfs/dbraw/zinc/37/34/95/525373495.db2.gz	NUBXWNHAXGNVDV-KRWDZBQOSA-N	1	0	356.470	1.891	20	30		FDEDRO
CC1CC[NH+](C[C@H](O)CNS(=O)(=O)Cc2cc(C#N)ccc2F)CC1	ZINC000163395363	525402816	/nfs/dbraw/zinc/40/28/16/525402816.db2.gz	VEXSLGCMOUNROD-MRXNPFEDSA-N	1	0	369.462	1.210	20	30		FDEDRO
CCOc1ccc(C#N)cc1NCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1	ZINC000178331914	525412554	/nfs/dbraw/zinc/41/25/54/525412554.db2.gz	REKHRDRQGBEHKX-KRWDZBQOSA-N	1	0	374.485	1.842	20	30		FDEDRO
Cn1cc(N2CC[C@@H]([NH2+]Cc3cccc(OCCCC#N)c3)C2=O)cn1	ZINC000117947423	525415125	/nfs/dbraw/zinc/41/51/25/525415125.db2.gz	WVVQENVGTGOABZ-GOSISDBHSA-N	1	0	353.426	1.998	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cn1cnc(C#N)n1	ZINC000178414658	525423028	/nfs/dbraw/zinc/42/30/28/525423028.db2.gz	ULBDTDWGQPIMRQ-OAHLLOKOSA-N	1	0	352.442	1.841	20	30		FDEDRO
C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)Cn2cnc(C#N)n2)C1	ZINC000178418162	525426297	/nfs/dbraw/zinc/42/62/97/525426297.db2.gz	UDUUEORJBACQEQ-HOTGVXAUSA-N	1	0	366.469	1.944	20	30		FDEDRO
C=CCNC(=O)C[NH+]1CCC(C(=O)Nc2cccc(NC(C)=O)c2)CC1	ZINC000104712045	525427077	/nfs/dbraw/zinc/42/70/77/525427077.db2.gz	FCLYJXDTZLWQHC-UHFFFAOYSA-N	1	0	358.442	1.598	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2F)CC1	ZINC000154116224	525429106	/nfs/dbraw/zinc/42/91/06/525429106.db2.gz	BXQPGESGHQXFLK-UHFFFAOYSA-N	1	0	367.446	1.360	20	30		FDEDRO
CC[NH+](CC)CCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000118094683	525436078	/nfs/dbraw/zinc/43/60/78/525436078.db2.gz	PRGCYQRJSWXFCK-UHFFFAOYSA-N	1	0	354.357	1.556	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC000104800778	525437978	/nfs/dbraw/zinc/43/79/78/525437978.db2.gz	AIPJZGRFLZSYNH-KRWDZBQOSA-N	1	0	357.458	1.287	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NC[C@@H](C)CN2CCOCC2)cc1OC	ZINC000178564765	525445184	/nfs/dbraw/zinc/44/51/84/525445184.db2.gz	GCZSZHZHBISXIN-OAHLLOKOSA-N	1	0	364.490	1.119	20	30		FDEDRO
CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccccc1C#N)C(=O)NCC[NH+](C)C	ZINC000127830394	525470775	/nfs/dbraw/zinc/47/07/75/525470775.db2.gz	BIEJVYIPXWPVIS-RDJZCZTQSA-N	1	0	374.485	1.534	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1	ZINC000118130180	525480086	/nfs/dbraw/zinc/48/00/86/525480086.db2.gz	SUKPWTNLCBVUAJ-ZDUSSCGKSA-N	1	0	358.442	1.883	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N(C)CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000178829919	525487340	/nfs/dbraw/zinc/48/73/40/525487340.db2.gz	CNCRBYZSZHRASS-UHFFFAOYSA-N	1	0	370.453	1.574	20	30		FDEDRO
CC(C)C[C@H](NC(=O)Nc1ccc(CC#N)cc1)C(=O)NCC[NH+](C)C	ZINC000128120579	525505065	/nfs/dbraw/zinc/50/50/65/525505065.db2.gz	YWNADGUUAFDGMI-KRWDZBQOSA-N	1	0	359.474	1.967	20	30		FDEDRO
COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000105730442	525530647	/nfs/dbraw/zinc/53/06/47/525530647.db2.gz	IXLYRKCJTXDWLY-UHFFFAOYSA-N	1	0	360.458	1.463	20	30		FDEDRO
C[NH+]=C(NCc1c(C)nn(C)c1C)N1CCN(C(=O)c2ccco2)CC1	ZINC000154478126	525548769	/nfs/dbraw/zinc/54/87/69/525548769.db2.gz	GNVCAZNVYCCHQL-UHFFFAOYSA-N	1	0	358.446	1.163	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CCc2c(C)nc3nc(N)nn3c2C)CC1	ZINC000106037004	525554651	/nfs/dbraw/zinc/55/46/51/525554651.db2.gz	ZEILKPMMPZYPIZ-UHFFFAOYSA-N	1	0	371.489	1.413	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1	ZINC000166294891	525579614	/nfs/dbraw/zinc/57/96/14/525579614.db2.gz	BQHNFAKKPOWIOV-KRWDZBQOSA-N	1	0	351.406	1.972	20	30		FDEDRO
C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1	ZINC000179758716	525624632	/nfs/dbraw/zinc/62/46/32/525624632.db2.gz	IAVDWZCDTSVAPL-HNNXBMFYSA-N	1	0	372.469	1.275	20	30		FDEDRO
N#CCSc1ccccc1NC(=O)CN1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000129234764	525632323	/nfs/dbraw/zinc/63/23/23/525632323.db2.gz	PZBJPBNLEBCSON-MRXNPFEDSA-N	1	0	374.510	1.895	20	30		FDEDRO
Cc1cc(C)n(CC2CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)n1	ZINC000106186099	525658772	/nfs/dbraw/zinc/65/87/72/525658772.db2.gz	YSBYZAPIKSAEEY-UHFFFAOYSA-N	1	0	356.474	1.868	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CCNC(=O)c2ccc(C)cc2O)CC1	ZINC000106290874	525688421	/nfs/dbraw/zinc/68/84/21/525688421.db2.gz	ADIVEOJKXNVQTQ-UHFFFAOYSA-N	1	0	359.470	1.977	20	30		FDEDRO
CC1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCO[C@@H](C#N)C3)cc2)CC1	ZINC000106350124	525699728	/nfs/dbraw/zinc/69/97/28/525699728.db2.gz	AERSAAKYABYLAM-SFHVURJKSA-N	1	0	370.453	1.608	20	30		FDEDRO
COc1ccccc1CNC(=[NH2+])NCc1cccc(OCC(=O)N(C)C)c1	ZINC000170911389	525767801	/nfs/dbraw/zinc/76/78/01/525767801.db2.gz	YPGFZEXOEVDOLX-UHFFFAOYSA-N	1	0	370.453	1.767	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@@H]3CC[C@H](C)C[C@@H]3C)CC2)o1	ZINC000119563183	525788208	/nfs/dbraw/zinc/78/82/08/525788208.db2.gz	XAOLBGQKHBPWSJ-OFQRWUPVSA-N	1	0	359.474	1.918	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C(N)=O	ZINC000130784440	525795163	/nfs/dbraw/zinc/79/51/63/525795163.db2.gz	LKDNQZKRHBZKFM-JYJNAYRXSA-N	1	0	372.469	1.964	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000130801431	525797888	/nfs/dbraw/zinc/79/78/88/525797888.db2.gz	YJBXXVRDPURDBY-HNNXBMFYSA-N	1	0	371.485	1.178	20	30		FDEDRO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCO[C@H](C[NH+](C)C)C1	ZINC000155311842	525819641	/nfs/dbraw/zinc/81/96/41/525819641.db2.gz	NFYRRBHERVCFGW-IUODEOHRSA-N	1	0	350.850	1.801	20	30		FDEDRO
C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1	ZINC000181241874	525825584	/nfs/dbraw/zinc/82/55/84/525825584.db2.gz	LCGICRJHZZFSLO-UHFFFAOYSA-N	1	0	359.474	1.443	20	30		FDEDRO
C=C(C)C[N@@H+](C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000181294028	525837355	/nfs/dbraw/zinc/83/73/55/525837355.db2.gz	MJDLFWRGYPZLKV-UHFFFAOYSA-N	1	0	369.425	1.963	20	30		FDEDRO
C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CNC(=O)c2ccc(C#N)cc2)C1	ZINC000171115350	525853430	/nfs/dbraw/zinc/85/34/30/525853430.db2.gz	DHSTUEKVSMMKMT-HNNXBMFYSA-N	1	0	356.470	1.915	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)CN1CCN(S(C)(=O)=O)[C@@H](C)C1	ZINC000181583941	525876103	/nfs/dbraw/zinc/87/61/03/525876103.db2.gz	UVKYETJTSZWITE-RDJZCZTQSA-N	1	0	368.499	1.121	20	30		FDEDRO
CCn1cc(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cn1	ZINC000119850521	525885107	/nfs/dbraw/zinc/88/51/07/525885107.db2.gz	WPHCRAIRGGGYLH-UHFFFAOYSA-N	1	0	353.426	1.548	20	30		FDEDRO
N#Cc1ccc(C(=O)Nc2ccccc2C[N@H+]2CCC[C@H](C(N)=O)C2)nc1	ZINC000107468409	525891033	/nfs/dbraw/zinc/89/10/33/525891033.db2.gz	NZERMFNHYIXVON-INIZCTEOSA-N	1	0	363.421	1.903	20	30		FDEDRO
N#Cc1cnn(-c2ccc(C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)cc2)c1N	ZINC000108299951	525948616	/nfs/dbraw/zinc/94/86/16/525948616.db2.gz	IVFRUUOUZHEOKL-MRXNPFEDSA-N	1	0	350.426	1.540	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1	ZINC000181904104	525975969	/nfs/dbraw/zinc/97/59/69/525975969.db2.gz	MPDJWSVSOXJEEH-RDBSUJKOSA-N	1	0	356.426	1.657	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCCC2)c1	ZINC000108610718	526004664	/nfs/dbraw/zinc/00/46/64/526004664.db2.gz	ODPUXBACWDSQOY-GOSISDBHSA-N	1	0	357.454	1.874	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)c1	ZINC000108688462	526012811	/nfs/dbraw/zinc/01/28/11/526012811.db2.gz	KKRSABXFLACGRM-OAHLLOKOSA-N	1	0	363.483	1.060	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CNC(=O)c2ccc(Br)o2)CC1	ZINC000171566197	526039102	/nfs/dbraw/zinc/03/91/02/526039102.db2.gz	ATNKVRYWOAQMMD-UHFFFAOYSA-N	1	0	370.247	1.539	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1	ZINC000120466330	526075469	/nfs/dbraw/zinc/07/54/69/526075469.db2.gz	UGLIKLKWMQOUKP-YOEHRIQHSA-N	1	0	372.469	1.482	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000171706393	526086884	/nfs/dbraw/zinc/08/68/84/526086884.db2.gz	XJEDOJYCHIKDTC-HOTGVXAUSA-N	1	0	352.523	1.824	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CC1	ZINC000171723770	526097264	/nfs/dbraw/zinc/09/72/64/526097264.db2.gz	OEFHTHFPSNCMJY-UHFFFAOYSA-N	1	0	363.483	1.389	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCC(=O)N(C)CCc2ccccn2)CC1	ZINC000171732978	526100731	/nfs/dbraw/zinc/10/07/31/526100731.db2.gz	NMHJYAQLHXUKRP-UHFFFAOYSA-N	1	0	359.474	1.032	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NC[C@@H](O)c3ccccc3)=[NH+]C[C@H]2C1	ZINC000133858586	526101699	/nfs/dbraw/zinc/10/16/99/526101699.db2.gz	BJLWRLGZPNHRIC-JKSUJKDBSA-N	1	0	360.458	1.601	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NC[C@@](C)(O)c3ccco3)=[NH+]C[C@H]2C1	ZINC000133988477	526113518	/nfs/dbraw/zinc/11/35/18/526113518.db2.gz	UKKGEOBKCQJNJN-SCLBCKFNSA-N	1	0	364.446	1.368	20	30		FDEDRO
C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)[N@@H+]1CCC[C@H](C)C1	ZINC000156491992	526148540	/nfs/dbraw/zinc/14/85/40/526148540.db2.gz	UPIUADXETJUZQS-STQMWFEESA-N	1	0	366.443	1.865	20	30		FDEDRO
CC[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c1cccc(S(N)(=O)=O)c1	ZINC000183010511	535902984	/nfs/dbraw/zinc/90/29/84/535902984.db2.gz	ZBYAMKAQUVHACQ-DOTOQJQBSA-N	1	0	366.487	1.429	20	30		FDEDRO
CC[N@H+](CCO)CCNC(=O)c1ccc(COc2ccccc2C#N)o1	ZINC000183958623	536072405	/nfs/dbraw/zinc/07/24/05/536072405.db2.gz	KTXPJDUKWANMBG-UHFFFAOYSA-N	1	0	357.410	1.774	20	30		FDEDRO
C=C(C)CN(C)C(=O)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1	ZINC000184390174	536143741	/nfs/dbraw/zinc/14/37/41/536143741.db2.gz	NJSATFGTWBRSES-UHFFFAOYSA-N	1	0	360.458	1.858	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1	ZINC000184582105	536167351	/nfs/dbraw/zinc/16/73/51/536167351.db2.gz	JYQUKSKQLGOGCF-MRXNPFEDSA-N	1	0	355.438	1.581	20	30		FDEDRO
CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2OC)C1	ZINC000185798480	536217887	/nfs/dbraw/zinc/21/78/87/536217887.db2.gz	SHLZGUSYEGYEPU-OAHLLOKOSA-N	1	0	351.472	1.919	20	30		FDEDRO
CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000186344295	536232743	/nfs/dbraw/zinc/23/27/43/536232743.db2.gz	YMPGFYQJGCCTMP-FHWLQOOXSA-N	1	0	364.534	1.862	20	30		FDEDRO
C[NH+]=C(NCc1ccc2c(c1)OCO2)NC[C@H]1CCc2nnc(C)n2C1	ZINC000262799358	536904019	/nfs/dbraw/zinc/90/40/19/536904019.db2.gz	QLYWWSWMTCUDBR-CQSZACIVSA-N	1	0	356.430	1.243	20	30		FDEDRO
[NH2+]=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)N1CCN(c2ncccn2)CC1	ZINC000262828482	536912381	/nfs/dbraw/zinc/91/23/81/536912381.db2.gz	QVCGBWCAGXKNAM-JCNLHEQBSA-N	1	0	354.433	1.999	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N(C)C(=O)OC)cc2)CC1	ZINC000266696803	536922350	/nfs/dbraw/zinc/92/23/50/536922350.db2.gz	MEFPWQNPBKNDRM-UHFFFAOYSA-N	1	0	374.441	1.594	20	30		FDEDRO
CC[N@H+](CCNS(=O)(=O)CCCOC)[C@@H](C)c1ccc(C#N)cc1	ZINC000267019376	536949516	/nfs/dbraw/zinc/94/95/16/536949516.db2.gz	JZIFBIUMZRLXEE-HNNXBMFYSA-N	1	0	353.488	1.897	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)NCCN1CCC([NH+](C)C)CC1	ZINC000267150455	536961413	/nfs/dbraw/zinc/96/14/13/536961413.db2.gz	CESUWKLIOTZEOY-UHFFFAOYSA-N	1	0	350.488	1.171	20	30		FDEDRO
CC[C@@H]1CN([C@H]2CCN(c3sccc3C#N)C2=O)CC[N@@H+]1CCOC	ZINC000246561298	536980443	/nfs/dbraw/zinc/98/04/43/536980443.db2.gz	UXGSFKXPDOJQDG-CVEARBPZSA-N	1	0	362.499	1.768	20	30		FDEDRO
CC[NH+]=C(NCCNc1nc2ccccc2s1)N1CCN(C(C)=O)CC1	ZINC000263250500	537001619	/nfs/dbraw/zinc/00/16/19/537001619.db2.gz	OMVPXTSQTSPZBA-UHFFFAOYSA-N	1	0	374.514	1.838	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1	ZINC000268173052	537011656	/nfs/dbraw/zinc/01/16/56/537011656.db2.gz	KFEQIQHKPMBDLV-GUYCJALGSA-N	1	0	363.483	1.363	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)NCC1(O)CC[NH+](C(C)C)CC1	ZINC000268499217	537014298	/nfs/dbraw/zinc/01/42/98/537014298.db2.gz	SHDPGZZMYIXRDT-UHFFFAOYSA-N	1	0	359.470	1.733	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H](CNC(=O)CCNC(=O)C2N=CC=CC2=O)C1	ZINC000269725878	537021706	/nfs/dbraw/zinc/02/17/06/537021706.db2.gz	VCNWFBOXAAGIKU-RAJOGRCSSA-N	1	0	362.474	1.387	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C#N)ccc2OC)CC1	ZINC000263709425	537074496	/nfs/dbraw/zinc/07/44/96/537074496.db2.gz	BFXCHYCBWJBIAO-UHFFFAOYSA-N	1	0	374.441	1.122	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3c(F)cc(C#N)cc3F)CC[C@H]21	ZINC000247146464	537087661	/nfs/dbraw/zinc/08/76/61/537087661.db2.gz	SPIVCCKPDHXASZ-IUODEOHRSA-N	1	0	355.410	1.941	20	30		FDEDRO
C[C@H]1CN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1CC(C)(C)O	ZINC000189913176	537115211	/nfs/dbraw/zinc/11/52/11/537115211.db2.gz	MMQBXZFMKHIRNN-MAUKXSAKSA-N	1	0	356.470	1.441	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N[C@H]1CC[N@@H+](CCCOCC)C[C@H]1C	ZINC000189995331	537125341	/nfs/dbraw/zinc/12/53/41/537125341.db2.gz	VQSHXZNPQQMORQ-PMPSAXMXSA-N	1	0	354.495	1.113	20	30		FDEDRO
N#Cc1ncn(CC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1	ZINC000247561901	537134710	/nfs/dbraw/zinc/13/47/10/537134710.db2.gz	RXLMPIIHQQDGNE-ZWKOTPCHSA-N	1	0	364.453	1.663	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NC[C@@H](O)COc2ccc3c(c2)OCO3)cc1	ZINC000264100164	537137243	/nfs/dbraw/zinc/13/72/43/537137243.db2.gz	NWNKWAHMBBVIDG-CYBMUJFWSA-N	1	0	359.382	1.590	20	30		FDEDRO
[NH2+]=C(NCc1ccc(OCC2CC2)nc1)N1CCN(c2ncccn2)CC1	ZINC000264101807	537137314	/nfs/dbraw/zinc/13/73/14/537137314.db2.gz	OIOHDJVOWLTPLY-UHFFFAOYSA-N	1	0	367.457	1.297	20	30		FDEDRO
C=CCc1cc(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc(OC)c1OC	ZINC000264420185	537144170	/nfs/dbraw/zinc/14/41/70/537144170.db2.gz	JUQXKSVUDIJNKL-HNNXBMFYSA-N	1	0	361.486	1.798	20	30		FDEDRO
CC[C@@H]1CN([C@H](C)C(=O)NC2(C#N)CCCCC2)CC[N@@H+]1C[C@@H](C)O	ZINC000247873059	537155537	/nfs/dbraw/zinc/15/55/37/537155537.db2.gz	XXICDKXLFYEHAR-BRWVUGGUSA-N	1	0	350.507	1.495	20	30		FDEDRO
C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000190289677	537161991	/nfs/dbraw/zinc/16/19/91/537161991.db2.gz	QHCSEPLTRPMVFW-ZWKOTPCHSA-N	1	0	369.469	1.252	20	30		FDEDRO
Cn1cc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C#N	ZINC000190696369	537183381	/nfs/dbraw/zinc/18/33/81/537183381.db2.gz	PDOUHSRSMCGREM-UHFFFAOYSA-N	1	0	374.466	1.207	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H](O)CCc1ccccc1	ZINC000248548781	537191052	/nfs/dbraw/zinc/19/10/52/537191052.db2.gz	FRYXXAZFULFVEX-WMZOPIPTSA-N	1	0	351.454	1.852	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1	ZINC000192143915	537221025	/nfs/dbraw/zinc/22/10/25/537221025.db2.gz	JWCCCHYQIUEJOL-VCTAVGKDSA-N	1	0	353.369	1.785	20	30		FDEDRO
N#C[C@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000192763911	537232477	/nfs/dbraw/zinc/23/24/77/537232477.db2.gz	RNENDVIRQHTAKM-STQMWFEESA-N	1	0	352.416	1.545	20	30		FDEDRO
C[C@@H]([NH3+])CCC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1	ZINC000193206174	537242329	/nfs/dbraw/zinc/24/23/29/537242329.db2.gz	IKYNNUWAPNJTSD-WGBIJJAVSA-N	1	0	352.460	1.565	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCC([NH+](C)C)CC1	ZINC000193933037	537257262	/nfs/dbraw/zinc/25/72/62/537257262.db2.gz	CQWICRFLDYEPCH-UHFFFAOYSA-N	1	0	358.442	1.837	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)cc1	ZINC000363675511	537274133	/nfs/dbraw/zinc/27/41/33/537274133.db2.gz	OKIZLOWAYBFRES-JKSUJKDBSA-N	1	0	369.462	1.471	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1	ZINC000270073038	537280638	/nfs/dbraw/zinc/28/06/38/537280638.db2.gz	XVYJZWGTSCRPTR-UHFFFAOYSA-N	1	0	360.439	1.391	20	30		FDEDRO
N#Cc1ccc(CNC(=O)NC[C@]2(N3CCOCC3)CCCOC2)cc1	ZINC000363837285	537333451	/nfs/dbraw/zinc/33/34/51/537333451.db2.gz	WYCFSBDHJOYEEW-LJQANCHMSA-N	1	0	358.442	1.239	20	30		FDEDRO
COc1cccc([C@@H](CNC(=O)C(=O)Nc2ccc(C#N)cn2)[NH+](C)C)c1	ZINC000293090064	537336598	/nfs/dbraw/zinc/33/65/98/537336598.db2.gz	RAPMHINBUMUTOA-MRXNPFEDSA-N	1	0	367.409	1.319	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NCc2ncccc2S(C)(=O)=O)cc1OC	ZINC000278569491	537339499	/nfs/dbraw/zinc/33/94/99/537339499.db2.gz	QPVZCRXQMGTIAX-UHFFFAOYSA-N	1	0	364.427	1.429	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F	ZINC000282903537	537344789	/nfs/dbraw/zinc/34/47/89/537344789.db2.gz	FSLWBAZLEWSBMY-ZDUSSCGKSA-N	1	0	374.457	1.807	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)C#Cc1ccc2c(c1)OCO2	ZINC000363875374	537350121	/nfs/dbraw/zinc/35/01/21/537350121.db2.gz	ZBVRIYNJSHLYBL-NJAFHUGGSA-N	1	0	370.449	1.772	20	30		FDEDRO
CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC000276235323	537351101	/nfs/dbraw/zinc/35/11/01/537351101.db2.gz	BHOCYBOPAUHIBV-UHFFFAOYSA-N	1	0	358.442	1.862	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@]2(CO)C[C@H]2c2ccccc2)CC1	ZINC000290487068	537355826	/nfs/dbraw/zinc/35/58/26/537355826.db2.gz	GPQUAGNGUSQWTM-FXAWDEMLSA-N	1	0	374.485	1.678	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)C[NH+](C)C	ZINC000293136423	537365976	/nfs/dbraw/zinc/36/59/76/537365976.db2.gz	JMJBCPDIVOVIMT-GFCCVEGCSA-N	1	0	371.466	1.934	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)[NH+](C)C	ZINC000293149237	537367851	/nfs/dbraw/zinc/36/78/51/537367851.db2.gz	VZUPZIVXVLUNDY-SECBINFHSA-N	1	0	353.220	1.326	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)cc2C(=O)OC)CC1	ZINC000272948476	537367279	/nfs/dbraw/zinc/36/72/79/537367279.db2.gz	VASOJRAGVOZHBB-UHFFFAOYSA-N	1	0	359.426	1.487	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)c1	ZINC000293152868	537371289	/nfs/dbraw/zinc/37/12/89/537371289.db2.gz	VAULOWAHJGSJDW-UHFFFAOYSA-N	1	0	369.513	1.913	20	30		FDEDRO
C#CCCOc1ccc(C[N@H+]2CC[C@@H](n3cc(C(=O)OC)nn3)C2)cc1	ZINC000363936504	537374918	/nfs/dbraw/zinc/37/49/18/537374918.db2.gz	XXCUBPFTJFRITG-MRXNPFEDSA-N	1	0	354.410	1.914	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1	ZINC000283912009	537392526	/nfs/dbraw/zinc/39/25/26/537392526.db2.gz	DSWOTQVGSCEFKO-UHFFFAOYSA-N	1	0	365.499	1.279	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NCC(C)(C)CCCO)C(C)C	ZINC000283933708	537394399	/nfs/dbraw/zinc/39/43/99/537394399.db2.gz	HCAVKALKJOPWCZ-QGZVFWFLSA-N	1	0	367.534	1.716	20	30		FDEDRO
C=CCCCNC(=O)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1	ZINC000280453329	537416222	/nfs/dbraw/zinc/41/62/22/537416222.db2.gz	LMOGGWIUNCGYBM-UHFFFAOYSA-N	1	0	358.442	1.095	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)c(F)cc2OC)CC1	ZINC000290839592	537419903	/nfs/dbraw/zinc/41/99/03/537419903.db2.gz	QDOLWLYHMCFAQR-UHFFFAOYSA-N	1	0	353.369	1.679	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccccc2COCC)CC1	ZINC000284701005	537483911	/nfs/dbraw/zinc/48/39/11/537483911.db2.gz	WSILYHIGPQGJOV-UHFFFAOYSA-N	1	0	359.470	1.606	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)c1	ZINC000274561668	537528436	/nfs/dbraw/zinc/52/84/36/537528436.db2.gz	ZJLHMNOCLHTEOW-INIZCTEOSA-N	1	0	363.483	1.201	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+](C)CC2(O)CCOCC2)c(OC)c1	ZINC000275547385	537558081	/nfs/dbraw/zinc/55/80/81/537558081.db2.gz	MJEMABDXGSSPRZ-QGZVFWFLSA-N	1	0	365.470	1.637	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1	ZINC000299395486	537562898	/nfs/dbraw/zinc/56/28/98/537562898.db2.gz	UMMXSTLRTJGOQC-UHFFFAOYSA-N	1	0	366.805	1.953	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@H](CO)C1CCCC1	ZINC000289490103	537571525	/nfs/dbraw/zinc/57/15/25/537571525.db2.gz	JQWNOUSEMRQNGV-QGZVFWFLSA-N	1	0	353.426	1.823	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C)c1	ZINC000236724407	537597345	/nfs/dbraw/zinc/59/73/45/537597345.db2.gz	ARPSHUAGUHLLDY-KRWDZBQOSA-N	1	0	353.488	1.644	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCNC(=O)C(C)(C)C)=[NH+]C[C@H]2C1	ZINC000304989567	537598054	/nfs/dbraw/zinc/59/80/54/537598054.db2.gz	CMZJAPWWWWNERH-ZDUSSCGKSA-N	1	0	367.494	1.029	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(N[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)=[NH+]C[C@H]2C1	ZINC000305030921	537598072	/nfs/dbraw/zinc/59/80/72/537598072.db2.gz	QXXIQFVPGKEHPJ-BYNSBNAKSA-N	1	0	364.490	1.680	20	30		FDEDRO
C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H](C)C[NH2+]C)nc1C	ZINC000237089957	537610275	/nfs/dbraw/zinc/61/02/75/537610275.db2.gz	JOZHSYUDWNDKLE-QMMMGPOBSA-N	1	0	352.489	1.979	20	30		FDEDRO
C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000291566537	537631941	/nfs/dbraw/zinc/63/19/41/537631941.db2.gz	DDIMRNFBZCNINY-WBVHZDCISA-N	1	0	357.458	1.990	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2OCCN(CC(=O)NC(=O)NCc3cccs3)[C@H]2C1	ZINC000329031480	537634120	/nfs/dbraw/zinc/63/41/20/537634120.db2.gz	PUTKCMSCWJGAMW-KBPBESRZSA-N	1	0	352.460	1.524	20	30		FDEDRO
CCNC(=O)CN1CCCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1	ZINC000285148860	537635128	/nfs/dbraw/zinc/63/51/28/537635128.db2.gz	LVWZMWPRFUIIMX-UHFFFAOYSA-N	1	0	374.460	1.645	20	30		FDEDRO
C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)N1CCSCC1	ZINC000329177091	537635739	/nfs/dbraw/zinc/63/57/39/537635739.db2.gz	CCJYNSRWBBRRRU-WZYMTQMTSA-N	1	0	368.547	1.464	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)CN3CCCCCCC3=O)CC2)C1=O	ZINC000329178716	537636095	/nfs/dbraw/zinc/63/60/95/537636095.db2.gz	NEPJAWJDCWRLSK-MRXNPFEDSA-N	1	0	364.490	1.431	20	30		FDEDRO
C[C@@H]1CN(C(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)C[C@H]1[NH+](C)C	ZINC000329502701	537637426	/nfs/dbraw/zinc/63/74/26/537637426.db2.gz	KULWHGXLUGADEK-BZUAXINKSA-N	1	0	351.495	1.463	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC3(CCOCC3)[C@H]2C)CC1	ZINC000329654040	537641150	/nfs/dbraw/zinc/64/11/50/537641150.db2.gz	FDLAOCLULIKSIF-MSOLQXFVSA-N	1	0	362.518	1.570	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O	ZINC000329713746	537642264	/nfs/dbraw/zinc/64/22/64/537642264.db2.gz	RYFGQIZLEDOJOC-BCYZHJNNSA-N	1	0	366.550	1.798	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)N2CCO[C@H](c3nnc(C(C)C)o3)C2)CC1	ZINC000329917003	537645177	/nfs/dbraw/zinc/64/51/77/537645177.db2.gz	QPJFIRRTLGVYRW-AWEZNQCLSA-N	1	0	351.451	1.965	20	30		FDEDRO
COCCn1cc2c(n1)[C@H](NC([O-])=[NH+]C[C@@H]1CCc3nccn3C1)CCC2	ZINC000329919307	537645900	/nfs/dbraw/zinc/64/59/00/537645900.db2.gz	ROINZAMLSMHZBX-GOEBONIOSA-N	1	0	372.473	1.870	20	30		FDEDRO
CC(C)(C)[C@@H]1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)C[C@H]1O	ZINC000290025935	537651296	/nfs/dbraw/zinc/65/12/96/537651296.db2.gz	TUWUEKPUNSVYRX-HUUCEWRRSA-N	1	0	351.472	1.456	20	30		FDEDRO
O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000330226776	537652372	/nfs/dbraw/zinc/65/23/72/537652372.db2.gz	OYODXLCZOWVQHJ-JFIYKMOQSA-N	1	0	369.531	1.609	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)C[C@H]2CCCC[C@H]2O)CC1	ZINC000245536964	537660066	/nfs/dbraw/zinc/66/00/66/537660066.db2.gz	GEJATDBMAKVLBV-FGTMMUONSA-N	1	0	350.507	1.162	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CCOC(C)(C)C2)CC1	ZINC000331193797	537665314	/nfs/dbraw/zinc/66/53/14/537665314.db2.gz	SDFRXTKKJFWFDG-UHFFFAOYSA-N	1	0	368.522	1.638	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N(C)CCC[N@H+](C)Cc1ccco1	ZINC000285399412	537701609	/nfs/dbraw/zinc/70/16/09/537701609.db2.gz	IDNNPTLWAOQXHG-UHFFFAOYSA-N	1	0	372.491	1.140	20	30		FDEDRO
N#Cc1ncn(CC[NH2+]Cc2cc3c(c(Br)c2)OCO3)n1	ZINC000285410943	537705696	/nfs/dbraw/zinc/70/56/96/537705696.db2.gz	FWOIPGXKMXQJJN-UHFFFAOYSA-N	1	0	350.176	1.431	20	30		FDEDRO
CN(C[C@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)C1)S(C)(=O)=O	ZINC000285470701	537717454	/nfs/dbraw/zinc/71/74/54/537717454.db2.gz	BZFKOMKAAVYMHI-QGZVFWFLSA-N	1	0	365.499	1.931	20	30		FDEDRO
C=C[C@@H](CO)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1	ZINC000292572636	537745782	/nfs/dbraw/zinc/74/57/82/537745782.db2.gz	FWWGNVAIXIETGK-OTWHNJEPSA-N	1	0	354.454	1.299	20	30		FDEDRO
CN(CC(C)(C)C#N)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1	ZINC000411557336	537772301	/nfs/dbraw/zinc/77/23/01/537772301.db2.gz	JWXBNBYLCKVHAD-UHFFFAOYSA-N	1	0	364.421	1.713	20	30		FDEDRO
C[NH+](C)C[C@](C)(O)CNC(=O)NCC1CCN(c2ccccc2C#N)CC1	ZINC000371263271	537795127	/nfs/dbraw/zinc/79/51/27/537795127.db2.gz	WOYKVCTZNLYTFB-HXUWFJFHSA-N	1	0	373.501	1.386	20	30		FDEDRO
N#CC1(NC(=O)CCCNC(=O)C2CC2)CC[NH+](Cc2ccccc2)CC1	ZINC000376180867	537846461	/nfs/dbraw/zinc/84/64/61/537846461.db2.gz	JDBBXTFWGGLFSZ-UHFFFAOYSA-N	1	0	368.481	1.967	20	30		FDEDRO
CC(C)(CC[NH+]1CCCCCC1)NS(=O)(=O)N1CCO[C@@H](C#N)C1	ZINC000409516006	537858363	/nfs/dbraw/zinc/85/83/63/537858363.db2.gz	WBYRGSUHNOERFX-HNNXBMFYSA-N	1	0	358.508	1.090	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1	ZINC000409570878	537861419	/nfs/dbraw/zinc/86/14/19/537861419.db2.gz	RXBDXYPEEGWRTD-HNNXBMFYSA-N	1	0	360.524	1.193	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2)c1ccc(C#N)cc1	ZINC000414695736	537885107	/nfs/dbraw/zinc/88/51/07/537885107.db2.gz	OQAMRQYLSNXARI-CYBMUJFWSA-N	1	0	364.405	1.856	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@](C(N)=O)(c2ccccc2)C1	ZINC000411974015	537919112	/nfs/dbraw/zinc/91/91/12/537919112.db2.gz	XYMIMTVXCFLGFI-UIAACRFSSA-N	1	0	356.470	1.558	20	30		FDEDRO
CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc1	ZINC000414829768	537924184	/nfs/dbraw/zinc/92/41/84/537924184.db2.gz	NEEKWMHSRDSIGG-AWEZNQCLSA-N	1	0	357.458	1.807	20	30		FDEDRO
N#CCCN(C(=O)C[NH2+][C@@H](CO)[C@@H]1CCCOC1)c1cccc(Cl)c1	ZINC000411990753	537925105	/nfs/dbraw/zinc/92/51/05/537925105.db2.gz	IMKDGIUGNBAVMQ-PBHICJAKSA-N	1	0	365.861	1.964	20	30		FDEDRO
C[C@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000367053321	537927060	/nfs/dbraw/zinc/92/70/60/537927060.db2.gz	PUVDJDAGCHVCTA-FXAWDEMLSA-N	1	0	370.497	1.616	20	30		FDEDRO
N#CCNC(=O)CNC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1	ZINC000377100490	537955704	/nfs/dbraw/zinc/95/57/04/537955704.db2.gz	BCOPLPUDUGYQPV-UHFFFAOYSA-N	1	0	354.863	1.369	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CC[C@H]([NH3+])C1)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000419206445	537992098	/nfs/dbraw/zinc/99/20/98/537992098.db2.gz	KYHQJXCWVPZARV-LIRRHRJNSA-N	1	0	362.433	1.962	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])C1)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000419206443	537993004	/nfs/dbraw/zinc/99/30/04/537993004.db2.gz	KYHQJXCWVPZARV-IFXJQAMLSA-N	1	0	362.433	1.962	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)n1	ZINC000369301096	538013626	/nfs/dbraw/zinc/01/36/26/538013626.db2.gz	ADFIHJKOHCKYBB-WMZOPIPTSA-N	1	0	359.474	1.301	20	30		FDEDRO
COCC[NH2+]CCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000417568346	538050224	/nfs/dbraw/zinc/05/02/24/538050224.db2.gz	BIJTXIDHYDYQTI-OAHLLOKOSA-N	1	0	363.437	1.201	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1nc2ncccn2n1)C(C)C	ZINC000413109196	538052274	/nfs/dbraw/zinc/05/22/74/538052274.db2.gz	FVUIFBQXUBTWEK-HNNXBMFYSA-N	1	0	357.462	1.622	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)ccc1OCC(F)(F)F	ZINC000415449530	538053095	/nfs/dbraw/zinc/05/30/95/538053095.db2.gz	IVYLIUUTNQHBTR-LBPRGKRZSA-N	1	0	370.331	1.291	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)n1	ZINC000415453228	538056378	/nfs/dbraw/zinc/05/63/78/538056378.db2.gz	YYXCDWIGMAWITD-OLZOCXBDSA-N	1	0	354.389	2.241	20	30		FDEDRO
N#Cc1cnc(NCCCC[NH+]2CCN(c3ncccn3)CC2)c(F)c1	ZINC000413122073	538059672	/nfs/dbraw/zinc/05/96/72/538059672.db2.gz	INOMMDRGQNWDLA-UHFFFAOYSA-N	1	0	355.421	1.897	20	30		FDEDRO
N#CCNC(=O)CNC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1	ZINC000378116883	538070819	/nfs/dbraw/zinc/07/08/19/538070819.db2.gz	VHAOICILBWKOOA-KRWDZBQOSA-N	1	0	357.458	1.228	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)c1ccc(F)c(F)c1	ZINC000419681067	538089815	/nfs/dbraw/zinc/08/98/15/538089815.db2.gz	ROHMVXNYFLKHHC-YJBOKZPZSA-N	1	0	351.397	1.896	20	30		FDEDRO
CC[C@@H]([NH3+])CNC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N	ZINC000418698489	538099931	/nfs/dbraw/zinc/09/99/31/538099931.db2.gz	MXWOECKZORPOLB-CQSZACIVSA-N	1	0	369.473	1.604	20	30		FDEDRO
C=CCN(C(=O)[C@@H]1C[C@]12CC[NH2+]C2)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000444125785	538119196	/nfs/dbraw/zinc/11/91/96/538119196.db2.gz	YWYGIPHCCKAEKW-FNHZYXHNSA-N	1	0	352.442	1.738	20	30		FDEDRO
C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000423653988	538133003	/nfs/dbraw/zinc/13/30/03/538133003.db2.gz	PVDYRSUTIYNXSA-ZBFHGGJFSA-N	1	0	370.453	1.124	20	30		FDEDRO
CCC([NH3+])(CC)CNC(=O)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1	ZINC000420082036	538210165	/nfs/dbraw/zinc/21/01/65/538210165.db2.gz	PNJBRFXMHFSMDC-INIZCTEOSA-N	1	0	358.442	1.092	20	30		FDEDRO
C[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000424111698	538235636	/nfs/dbraw/zinc/23/56/36/538235636.db2.gz	GZTNVGQPUCFMEX-DOMZBBRYSA-N	1	0	352.460	1.135	20	30		FDEDRO
CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)[C@@H]([NH3+])CCCC#N	ZINC000424114002	538236612	/nfs/dbraw/zinc/23/66/12/538236612.db2.gz	PBYRYNMTVFAANM-INIZCTEOSA-N	1	0	366.487	1.152	20	30		FDEDRO
COc1cccc(C(=O)N2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)c1OC	ZINC000424115119	538238195	/nfs/dbraw/zinc/23/81/95/538238195.db2.gz	UFYOLGOEYSTFGD-HNNXBMFYSA-N	1	0	374.441	1.009	20	30		FDEDRO
CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1	ZINC000420140179	538238936	/nfs/dbraw/zinc/23/89/36/538238936.db2.gz	GXSBCPTVWLOMFE-GOSISDBHSA-N	1	0	354.454	1.808	20	30		FDEDRO
CCCN(CCN1CC[NH+](CC)CC1)S(=O)(=O)CC1(CC#N)CC1	ZINC000451553983	538276004	/nfs/dbraw/zinc/27/60/04/538276004.db2.gz	DAYJMEBNBKAIQR-UHFFFAOYSA-N	1	0	356.536	1.360	20	30		FDEDRO
CO[C@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1(C)C	ZINC000451574247	538279610	/nfs/dbraw/zinc/27/96/10/538279610.db2.gz	YWTBSANAMHAPBO-SJORKVTESA-N	1	0	350.507	1.426	20	30		FDEDRO
C[C@@]1(C[NH3+])CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1	ZINC000420424912	538292073	/nfs/dbraw/zinc/29/20/73/538292073.db2.gz	IJRAPWUYRPZQJV-ZDUSSCGKSA-N	1	0	358.261	1.680	20	30		FDEDRO
C[C@@H]1[NH2+]CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)[C@H]1C	ZINC000420427851	538292505	/nfs/dbraw/zinc/29/25/05/538292505.db2.gz	KTIHCYRSWOZSJL-UWVGGRQHSA-N	1	0	358.261	1.692	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])c1	ZINC000420429482	538294392	/nfs/dbraw/zinc/29/43/92/538294392.db2.gz	ZVRATRALQKOUSH-UKRRQHHQSA-N	1	0	351.472	1.350	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N(CCC(N)=O)c1ccccc1OC	ZINC000451669862	538294798	/nfs/dbraw/zinc/29/47/98/538294798.db2.gz	BEZVDTOBJDTYHY-ZBFHGGJFSA-N	1	0	361.442	1.227	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1	ZINC000428823904	538318937	/nfs/dbraw/zinc/31/89/37/538318937.db2.gz	ZBNGNLJTURRXAR-SJORKVTESA-N	1	0	368.499	1.121	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@H+]2[C@@H]3CC[C@H]2CN(C)C(=O)C3)c(OC)c1	ZINC000451858702	538329293	/nfs/dbraw/zinc/32/92/93/538329293.db2.gz	JDERPVGPDSFWLE-SQNIBIBYSA-N	1	0	374.481	1.859	20	30		FDEDRO
C=CCn1cc(CNC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)nn1	ZINC000424907965	538357958	/nfs/dbraw/zinc/35/79/58/538357958.db2.gz	MFKFPCRPONYTEP-GOSISDBHSA-N	1	0	355.442	1.371	20	30		FDEDRO
N#CCCn1cc(C[NH+]2CCC(OCCO)CC2)c(-c2ccncc2)n1	ZINC000435124698	538381945	/nfs/dbraw/zinc/38/19/45/538381945.db2.gz	RYAQOHWRQTZKCQ-UHFFFAOYSA-N	1	0	355.442	1.832	20	30		FDEDRO
N#Cc1cccc(C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c1Br	ZINC000452387185	538390774	/nfs/dbraw/zinc/39/07/74/538390774.db2.gz	PETPTEKCNBJWDU-ZDUSSCGKSA-N	1	0	366.259	1.897	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1	ZINC000438456102	538424683	/nfs/dbraw/zinc/42/46/83/538424683.db2.gz	PKBKSPQZTQCXPG-IRXDYDNUSA-N	1	0	352.523	1.683	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000460052914	538460047	/nfs/dbraw/zinc/46/00/47/538460047.db2.gz	FOYXDMWYHPFUNO-IAGOWNOFSA-N	1	0	365.518	1.759	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CCC(C#N)CC1	ZINC000460068489	538465106	/nfs/dbraw/zinc/46/51/06/538465106.db2.gz	YZTCNJAOFXQSBZ-UHFFFAOYSA-N	1	0	360.433	1.478	20	30		FDEDRO
C=C(C)[C@H]1OCCC[C@H]1C(=O)NCCC[NH+]1CCC(C(=O)OC)CC1	ZINC000457469990	538493615	/nfs/dbraw/zinc/49/36/15/538493615.db2.gz	YGBOUSFHGPJXRB-IAGOWNOFSA-N	1	0	352.475	1.749	20	30		FDEDRO
C[NH+](C)CCOC1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1	ZINC000500936253	538581018	/nfs/dbraw/zinc/58/10/18/538581018.db2.gz	QAXPTGCWPFMUEI-UHFFFAOYSA-N	1	0	369.462	1.570	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC	ZINC000477109448	538596102	/nfs/dbraw/zinc/59/61/02/538596102.db2.gz	QBTJGSPPVYRQIN-IBGZPJMESA-N	1	0	374.485	1.827	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1	ZINC000472159335	538597242	/nfs/dbraw/zinc/59/72/42/538597242.db2.gz	SBOSUJQCKZXDKI-VQIMIIECSA-N	1	0	353.470	1.383	20	30		FDEDRO
C[N@H+](CCCCO)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000472174940	538598907	/nfs/dbraw/zinc/59/89/07/538598907.db2.gz	QUEZMJMFXMOVDH-GOSISDBHSA-N	1	0	362.449	1.239	20	30		FDEDRO
COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@@H](C)n2cnc(C#N)n2)cc1	ZINC000467502236	538653787	/nfs/dbraw/zinc/65/37/87/538653787.db2.gz	BXQOENFNYBKZIV-PBHICJAKSA-N	1	0	368.441	1.673	20	30		FDEDRO
CC[C@@H](C)c1ncc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cn1	ZINC000484308247	538771442	/nfs/dbraw/zinc/77/14/42/538771442.db2.gz	FECNHZBJAKLJFL-CQSZACIVSA-N	1	0	360.462	1.623	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)Cc2ccc(C#N)cc2F)CC1	ZINC000480692929	538863387	/nfs/dbraw/zinc/86/33/87/538863387.db2.gz	HDCUREJEXLEXSH-AWEZNQCLSA-N	1	0	368.478	1.143	20	30		FDEDRO
CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000486511550	538866489	/nfs/dbraw/zinc/86/64/89/538866489.db2.gz	IEQIRCXVUYOYIT-CRAIPNDOSA-N	1	0	371.485	1.689	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCc3cccc(OC)c3CC2)CC1	ZINC000561412672	545836529	/nfs/dbraw/zinc/83/65/29/545836529.db2.gz	CZNKSQIEZUVUQH-UHFFFAOYSA-N	1	0	371.481	1.389	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](CC)c2nccs2)CC1	ZINC000561439126	545852937	/nfs/dbraw/zinc/85/29/37/545852937.db2.gz	GZFWMYKAVCYFCQ-AWEZNQCLSA-N	1	0	350.488	1.867	20	30		FDEDRO
C=CC[C@H]1N(C(=O)C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CCCC1(C)C	ZINC000561452276	545857117	/nfs/dbraw/zinc/85/71/17/545857117.db2.gz	QRMWHFGUEFAWFK-HZPDHXFCSA-N	1	0	351.491	1.417	20	30		FDEDRO
CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2cnn(C)c2C#N)c1	ZINC000561715293	545935166	/nfs/dbraw/zinc/93/51/66/545935166.db2.gz	CVXLUDMHLAGTQP-UHFFFAOYSA-N	1	0	354.414	1.824	20	30		FDEDRO
C[NH+](C)CCOCCNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000561925247	545984680	/nfs/dbraw/zinc/98/46/80/545984680.db2.gz	ZYFDAURTSPSAIG-UHFFFAOYSA-N	1	0	365.377	1.434	20	30		FDEDRO
N#CC1(NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC[NH+](Cc2ccccc2)CC1	ZINC000562291289	546079416	/nfs/dbraw/zinc/07/94/16/546079416.db2.gz	OKSNUDXUSJTBKU-GBESFXJTSA-N	1	0	369.465	1.712	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCC1CC[NH+](C2CC2)CC1	ZINC000562489315	546154848	/nfs/dbraw/zinc/15/48/48/546154848.db2.gz	BPWXARSJNOEPHQ-UHFFFAOYSA-N	1	0	359.478	1.312	20	30		FDEDRO
C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCN(c3cnccc3C#N)CC2)C1	ZINC000562930061	546316039	/nfs/dbraw/zinc/31/60/39/546316039.db2.gz	ANIZWGUWIMYCJQ-SJORKVTESA-N	1	0	356.474	1.658	20	30		FDEDRO
CS(=O)(=O)C1(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CCCC1	ZINC000563011323	546353818	/nfs/dbraw/zinc/35/38/18/546353818.db2.gz	MDKJGJQHVAZELF-UHFFFAOYSA-N	1	0	370.496	1.279	20	30		FDEDRO
C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1	ZINC000563118352	546414099	/nfs/dbraw/zinc/41/40/99/546414099.db2.gz	DYCZLKBTVAHPII-NSHDSACASA-N	1	0	372.288	1.941	20	30		FDEDRO
C[C@@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)C(=O)NCC[NH+](C)C	ZINC000563404156	546521883	/nfs/dbraw/zinc/52/18/83/546521883.db2.gz	RWMHOQQRMKHHKT-GFCCVEGCSA-N	1	0	355.398	1.009	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1	ZINC000563463157	546545955	/nfs/dbraw/zinc/54/59/55/546545955.db2.gz	STMNMNWOPPHMKY-AWEZNQCLSA-N	1	0	370.453	1.838	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)n1	ZINC000563519684	546568250	/nfs/dbraw/zinc/56/82/50/546568250.db2.gz	WRHFLICGIUNYNH-SFHVURJKSA-N	1	0	354.389	2.100	20	30		FDEDRO
N#Cc1ccc(CN2CCC[C@]3(C2)NC(=O)NC3=O)c(C(F)(F)F)c1	ZINC000563713259	546657629	/nfs/dbraw/zinc/65/76/29/546657629.db2.gz	GOGNMXVOWBBVTR-OAHLLOKOSA-N	1	0	352.316	1.751	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)n1	ZINC000563944072	546746097	/nfs/dbraw/zinc/74/60/97/546746097.db2.gz	SQMAWTPFEGZTMK-IUODEOHRSA-N	1	0	354.389	2.099	20	30		FDEDRO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1	ZINC000563953863	546751170	/nfs/dbraw/zinc/75/11/70/546751170.db2.gz	YJUGSVIAWCQWGT-YJBOKZPZSA-N	1	0	354.454	1.774	20	30		FDEDRO
C=CCn1c(CC(C)C)nnc1N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1	ZINC000564292578	546870024	/nfs/dbraw/zinc/87/00/24/546870024.db2.gz	KHYNNJQNTSBBMK-INIZCTEOSA-N	1	0	360.506	1.453	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCC[C@H]1CCC[N@@H+](C)C1	ZINC000564300958	546872232	/nfs/dbraw/zinc/87/22/32/546872232.db2.gz	AIHNIHJEDGUNEF-OAHLLOKOSA-N	1	0	367.457	2.301	20	30		FDEDRO
C=CCn1c(-c2ccoc2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1	ZINC000564380540	546897128	/nfs/dbraw/zinc/89/71/28/546897128.db2.gz	YYGGIYWIPZMAIG-KRWDZBQOSA-N	1	0	356.474	1.940	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)cc1	ZINC000564845940	547064823	/nfs/dbraw/zinc/06/48/23/547064823.db2.gz	XZCMRJMQHUWSMW-CABCVRRESA-N	1	0	357.376	1.772	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](N3CCC(CO)([NH2+]CC4CC4)CC3)C2=O)cc1	ZINC000565050021	547175547	/nfs/dbraw/zinc/17/55/47/547175547.db2.gz	WEMSAIOGCBOKKY-LJQANCHMSA-N	1	0	368.481	1.490	20	30		FDEDRO
COC[C@H](C)OC[C@@H](O)C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000565535940	547389189	/nfs/dbraw/zinc/38/91/89/547389189.db2.gz	PMEKRSVIOQSCCM-XIRDDKMYSA-N	1	0	365.449	1.668	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)Oc2ccccc2C)CC1	ZINC000565556685	547397273	/nfs/dbraw/zinc/39/72/73/547397273.db2.gz	TUYHRLQZRRVWEB-INIZCTEOSA-N	1	0	359.470	1.645	20	30		FDEDRO
COC(=O)c1ccc(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cc1	ZINC000566107699	547606798	/nfs/dbraw/zinc/60/67/98/547606798.db2.gz	NWAOJRIBKYKPPS-UHFFFAOYSA-N	1	0	372.446	1.951	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]CCCc2nnc3ccccn32)cc1	ZINC000566110024	547607446	/nfs/dbraw/zinc/60/74/46/547607446.db2.gz	WIEHIWZZGXSAKB-MRXNPFEDSA-N	1	0	351.410	1.563	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccccc1C[N@H+]1CCC[C@H](C(N)=O)C1	ZINC000567335935	548081742	/nfs/dbraw/zinc/08/17/42/548081742.db2.gz	OHWUAMAOXIPXTB-JZXOWHBKSA-N	1	0	357.454	1.914	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cc2C1=O	ZINC000567668274	548201817	/nfs/dbraw/zinc/20/18/17/548201817.db2.gz	CIGIFDDDAICPFW-JQFCIGGWSA-N	1	0	353.422	1.668	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCCN(S(C)(=O)=O)C1	ZINC000567681562	548209741	/nfs/dbraw/zinc/20/97/41/548209741.db2.gz	VTFHULNNNPAWIZ-SJORKVTESA-N	1	0	368.499	1.168	20	30		FDEDRO
COC(=O)c1ccc(OC[C@@H](O)C[NH2+]CCc2cccc(C#N)c2)cc1	ZINC000567700325	548219407	/nfs/dbraw/zinc/21/94/07/548219407.db2.gz	JMTHAQYKEINAMP-SFHVURJKSA-N	1	0	354.406	1.917	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2cncc(C#N)c2)CC1	ZINC000567798298	548263138	/nfs/dbraw/zinc/26/31/38/548263138.db2.gz	HSAPKPIKKCLCRP-UHFFFAOYSA-N	1	0	352.460	1.121	20	30		FDEDRO
COc1cc(C[NH2+]Cc2c(C)nn(C)c2N2CCOCC2)ccc1C#N	ZINC000567798513	548263191	/nfs/dbraw/zinc/26/31/91/548263191.db2.gz	MKSIOJLOWCDRIG-UHFFFAOYSA-N	1	0	355.442	1.735	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+][C@H]3CCCN(c4ccc(C#N)cc4)C3=O)cnc12	ZINC000567888422	548310061	/nfs/dbraw/zinc/31/00/61/548310061.db2.gz	FDHZZOCCBYCQIZ-SFHVURJKSA-N	1	0	371.404	1.758	20	30		FDEDRO
CC(C)[NH+](CCCNC(=O)C(=O)NCc1ccc(CC#N)cc1)C(C)C	ZINC000567897544	548315218	/nfs/dbraw/zinc/31/52/18/548315218.db2.gz	DWPYQZAMJCEYRW-UHFFFAOYSA-N	1	0	358.486	1.994	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC(CO)([NH2+]CC2CC2)CC1	ZINC000568096207	548396642	/nfs/dbraw/zinc/39/66/42/548396642.db2.gz	SXSMNSJNISGINZ-INIZCTEOSA-N	1	0	362.518	1.544	20	30		FDEDRO
C=CCc1ccc(OCC(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)c(OC)c1	ZINC000568445415	548539432	/nfs/dbraw/zinc/53/94/32/548539432.db2.gz	SYAXHCBYZFOBKG-HXUWFJFHSA-N	1	0	360.454	1.375	20	30		FDEDRO
C=CCc1ccc(OCC(=O)NC[C@]2(O)C[NH+]3CCC2CC3)c(OC)c1	ZINC000568445413	548539513	/nfs/dbraw/zinc/53/95/13/548539513.db2.gz	SYAXHCBYZFOBKG-FQEVSTJZSA-N	1	0	360.454	1.375	20	30		FDEDRO
C[C@@H](NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)[C@H]1CCC[NH2+]C1	ZINC000568608988	548605005	/nfs/dbraw/zinc/60/50/05/548605005.db2.gz	QVOWJSPQGQXXBN-ZBFHGGJFSA-N	1	0	359.449	1.917	20	30		FDEDRO
C=CCn1c([C@H](C)CC)nnc1N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1	ZINC000569191109	548827193	/nfs/dbraw/zinc/82/71/93/548827193.db2.gz	IFRQCZQMYVVDNE-CVEARBPZSA-N	1	0	360.506	1.768	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)N1CCC[C@H](N2CCNCC2=O)C1	ZINC000569321980	548873498	/nfs/dbraw/zinc/87/34/98/548873498.db2.gz	NJNOFEKUOLQRKO-KRWDZBQOSA-N	1	0	372.469	1.357	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC2(C)CCC(OC)CC2)CC1	ZINC000570069519	549148139	/nfs/dbraw/zinc/14/81/39/549148139.db2.gz	UMPNDYNLAYLDOH-UHFFFAOYSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)N[C@@H]1CCN(CC)[C@H]1c1cc(F)c(F)c(F)c1	ZINC000570194098	549191269	/nfs/dbraw/zinc/19/12/69/549191269.db2.gz	RUZVYWIFUPTZFW-ZBFHGGJFSA-N	1	0	369.387	2.000	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+][C@H]3CCCN(Cc4ccccn4)C3=O)cnc12	ZINC000570212132	549198444	/nfs/dbraw/zinc/19/84/44/549198444.db2.gz	UYNZUPHZRVSTBZ-KRWDZBQOSA-N	1	0	361.409	1.277	20	30		FDEDRO
Cn1c(NCC2([N@H+](C)Cc3ccccc3)CCC2)c(C#N)c(=O)n(C)c1=O	ZINC000570249342	549211501	/nfs/dbraw/zinc/21/15/01/549211501.db2.gz	JZNDFLRTNLVPSO-UHFFFAOYSA-N	1	0	367.453	1.422	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1	ZINC000570542754	549318163	/nfs/dbraw/zinc/31/81/63/549318163.db2.gz	SXKMIYRCGINGRZ-FUHWJXTLSA-N	1	0	359.470	1.427	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+](CCC)[C@H]1CC(=O)N(C)C1=O	ZINC000571265758	549583598	/nfs/dbraw/zinc/58/35/98/549583598.db2.gz	OFVQCTGJWBYLIX-IRXDYDNUSA-N	1	0	360.454	1.624	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)s1	ZINC000571778115	549761252	/nfs/dbraw/zinc/76/12/52/549761252.db2.gz	FKCXQKSQHBQXAM-UONOGXRCSA-N	1	0	351.428	1.874	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@@H]2COc3ccccc32)CC1	ZINC000571888110	549792557	/nfs/dbraw/zinc/79/25/57/549792557.db2.gz	HZQHVRPWBJIZTP-QAPCUYQASA-N	1	0	371.481	1.824	20	30		FDEDRO
COC[C@]1(CNC(=O)CSc2nc(C)c(C)c(C)c2C#N)CCC[NH2+]1	ZINC000571935779	549805826	/nfs/dbraw/zinc/80/58/26/549805826.db2.gz	PTLQOWNOZYVSEL-GOSISDBHSA-N	1	0	362.499	1.855	20	30		FDEDRO
CC1CC[NH+](C[C@@H](O)CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1	ZINC000572140586	549851483	/nfs/dbraw/zinc/85/14/83/549851483.db2.gz	RQYJGMNPYHVNCN-SFHVURJKSA-N	1	0	359.445	1.938	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)cc1	ZINC000572158378	549855563	/nfs/dbraw/zinc/85/55/63/549855563.db2.gz	NXRFFOVMYVCMBT-HKUYNNGSSA-N	1	0	360.454	1.455	20	30		FDEDRO
C=C(C)[C@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccc(F)c(F)c1	ZINC000572303987	549886130	/nfs/dbraw/zinc/88/61/30/549886130.db2.gz	BJSLAUSAMVRNMK-MAZHCROVSA-N	1	0	364.396	1.535	20	30		FDEDRO
N#Cc1ccc(NC(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1F	ZINC000572376113	549901138	/nfs/dbraw/zinc/90/11/38/549901138.db2.gz	UELKWJGFOZWHEM-CXAGYDPISA-N	1	0	373.432	1.809	20	30		FDEDRO
COc1cc(CNC(=O)N2CC[NH+](C3CCOCC3)CC2)ccc1C#N	ZINC000572898224	550020249	/nfs/dbraw/zinc/02/02/49/550020249.db2.gz	PYRBRFMIHCFUMU-UHFFFAOYSA-N	1	0	358.442	1.573	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCc3ccc(C#N)cc32)C1	ZINC000573270843	550101106	/nfs/dbraw/zinc/10/11/06/550101106.db2.gz	LFSHRGBQVCSAJW-GOSISDBHSA-N	1	0	356.470	1.394	20	30		FDEDRO
CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CCN(c2cnccc2C#N)CC1	ZINC000573466258	550145330	/nfs/dbraw/zinc/14/53/30/550145330.db2.gz	NTTYHWYUXGHHKA-QGZVFWFLSA-N	1	0	356.474	1.563	20	30		FDEDRO
C[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)N1CCCC[C@@H]1C	ZINC000573760985	550206564	/nfs/dbraw/zinc/20/65/64/550206564.db2.gz	SNUYZEZXZKIBFO-LSDHHAIUSA-N	1	0	350.488	1.579	20	30		FDEDRO
CC[C@H](CNC(=O)C(=O)NCCCCC#N)[N@@H+]1CCc2ccccc2C1	ZINC000574349001	550299896	/nfs/dbraw/zinc/29/98/96/550299896.db2.gz	GFYUCRGEAHQARN-GOSISDBHSA-N	1	0	356.470	1.750	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1	ZINC000574739729	550362385	/nfs/dbraw/zinc/36/23/85/550362385.db2.gz	CHIXTDCIJLDUKU-CRAIPNDOSA-N	1	0	369.469	1.979	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@H](O)COc2ccccc2)c1	ZINC000574772572	550367863	/nfs/dbraw/zinc/36/78/63/550367863.db2.gz	VCXJRVAHKDDIBJ-INIZCTEOSA-N	1	0	360.435	1.361	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NCc3ccc(C[NH3+])cc3)CC2)nc1	ZINC000574987191	550404601	/nfs/dbraw/zinc/40/46/01/550404601.db2.gz	LBGSRQYTWWWZCF-UHFFFAOYSA-N	1	0	350.426	1.444	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1cccc(CN2CCOCC2)c1	ZINC000576098219	550510158	/nfs/dbraw/zinc/51/01/58/550510158.db2.gz	DNUFOUMOHINMKU-UHFFFAOYSA-N	1	0	368.485	1.760	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1	ZINC000576730441	550580164	/nfs/dbraw/zinc/58/01/64/550580164.db2.gz	RWGMMSHHCVJBSZ-BRWVUGGUSA-N	1	0	354.458	1.173	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1	ZINC000576730442	550580231	/nfs/dbraw/zinc/58/02/31/550580231.db2.gz	RWGMMSHHCVJBSZ-GVDBMIGSSA-N	1	0	354.458	1.173	20	30		FDEDRO
C[NH+](C)CCNS(=O)(=O)c1cccc(NCc2nc(C#N)cs2)c1	ZINC000576745569	550581400	/nfs/dbraw/zinc/58/14/00/550581400.db2.gz	OPTBGLPENJDJDI-UHFFFAOYSA-N	1	0	365.484	1.467	20	30		FDEDRO
N#Cc1cccc(NC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)n1	ZINC000576752555	550582209	/nfs/dbraw/zinc/58/22/09/550582209.db2.gz	CFVSMQVKYVQTBA-DLBZAZTESA-N	1	0	351.410	1.710	20	30		FDEDRO
Cc1ccc(C(=O)NCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cc1	ZINC000577457741	550657822	/nfs/dbraw/zinc/65/78/22/550657822.db2.gz	OQAIIVGNMBCCEW-UHFFFAOYSA-N	1	0	371.462	1.660	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@](C)(CO)C(C)C	ZINC000577666067	550681482	/nfs/dbraw/zinc/68/14/82/550681482.db2.gz	LZCFXRYCBHRRLS-IBGZPJMESA-N	1	0	364.490	1.948	20	30		FDEDRO
N#CCCC1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CC1	ZINC000577730343	550688744	/nfs/dbraw/zinc/68/87/44/550688744.db2.gz	OHVQGWPTWPRUNI-ZWKOTPCHSA-N	1	0	360.502	1.909	20	30		FDEDRO
C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1	ZINC000577826176	550698339	/nfs/dbraw/zinc/69/83/39/550698339.db2.gz	CZOJDYMOZWMXAY-OAHLLOKOSA-N	1	0	358.494	1.735	20	30		FDEDRO
[NH3+]C[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1	ZINC000578224592	550741507	/nfs/dbraw/zinc/74/15/07/550741507.db2.gz	HSNWQSFKKKIDBV-QGZVFWFLSA-N	1	0	362.433	1.617	20	30		FDEDRO
Cc1ccnc([C@@H]2CC[N@@H+](CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)C2)c1	ZINC000578784481	550801901	/nfs/dbraw/zinc/80/19/01/550801901.db2.gz	MHMSQOCLKNNZPV-QUCCMNQESA-N	1	0	369.513	1.872	20	30		FDEDRO
C[C@H](COCC(F)(F)F)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000579222349	550848959	/nfs/dbraw/zinc/84/89/59/550848959.db2.gz	KSVXSNDYEAYCCC-SNVBAGLBSA-N	1	0	351.350	1.284	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])CC2)c1C#N	ZINC000580053380	550937749	/nfs/dbraw/zinc/93/77/49/550937749.db2.gz	ABXHCHDVVDJVBL-HIFRSBDPSA-N	1	0	362.503	1.672	20	30		FDEDRO
C[C@H](NS(=O)(=O)c1cccc(Br)c1C#N)[C@@H]1CCC[NH2+]C1	ZINC000580193422	550953605	/nfs/dbraw/zinc/95/36/05/550953605.db2.gz	AVZZGFSJMJKJNF-WDEREUQCSA-N	1	0	372.288	1.987	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(Cc3nnnn3Cc3ccccc3)C2)nc1	ZINC000580751064	551014153	/nfs/dbraw/zinc/01/41/53/551014153.db2.gz	NMCAGQOQBDNMFW-QGZVFWFLSA-N	1	0	361.409	1.641	20	30		FDEDRO
CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)cc1	ZINC000581301385	551073700	/nfs/dbraw/zinc/07/37/00/551073700.db2.gz	WWBWSYWJRMNLKY-ACJLOTCBSA-N	1	0	363.483	1.939	20	30		FDEDRO
C[C@@]1(CNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCC[NH2+]C1	ZINC000581777461	551134584	/nfs/dbraw/zinc/13/45/84/551134584.db2.gz	KMIRJUVDZSHYLQ-AZUAARDMSA-N	1	0	355.486	1.796	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)C1CCN(CC(F)(F)F)CC1	ZINC000582075823	551172898	/nfs/dbraw/zinc/17/28/98/551172898.db2.gz	QZBWDXHOUTVMLH-NEPJUHHUSA-N	1	0	364.412	1.639	20	30		FDEDRO
C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CCCO1	ZINC000582541731	551238742	/nfs/dbraw/zinc/23/87/42/551238742.db2.gz	GQYSHSBXGBMYAT-IEBWSBKVSA-N	1	0	361.486	1.583	20	30		FDEDRO
COC1CCN(C2(C[NH2+]C[C@@H](O)CN(C)CCC#N)CCCC2)CC1	ZINC000582900334	551278708	/nfs/dbraw/zinc/27/87/08/551278708.db2.gz	LWGBMVROZAHOLF-QGZVFWFLSA-N	1	0	352.523	1.206	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCc2ccc(CC#N)cc2)C1	ZINC000582904069	551279340	/nfs/dbraw/zinc/27/93/40/551279340.db2.gz	XZTGPFQIKWNJPQ-SFHVURJKSA-N	1	0	356.470	1.605	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1sccc1C#N	ZINC000583216163	551320531	/nfs/dbraw/zinc/32/05/31/551320531.db2.gz	BZRQVZHDXGOWPX-UHFFFAOYSA-N	1	0	357.439	1.544	20	30		FDEDRO
C=CCn1c([C@@H]2COCCO2)nnc1N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1	ZINC000583675611	551385133	/nfs/dbraw/zinc/38/51/33/551385133.db2.gz	GMCIQWOFJIJHAY-TWMKSMIVSA-N	1	0	361.490	1.719	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H](CNCCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000583807422	551404655	/nfs/dbraw/zinc/40/46/55/551404655.db2.gz	LFJSVJWVKQQDSQ-KRWDZBQOSA-N	1	0	364.515	1.685	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H](CNCCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000583807423	551404870	/nfs/dbraw/zinc/40/48/70/551404870.db2.gz	LFJSVJWVKQQDSQ-QGZVFWFLSA-N	1	0	364.515	1.685	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC000585725577	551588395	/nfs/dbraw/zinc/58/83/95/551588395.db2.gz	XFDMWLLTDZWYDG-RBUKOAKNSA-N	1	0	366.465	1.816	20	30		FDEDRO
C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2ccc(C#N)cc2F)C1	ZINC000585777734	551598177	/nfs/dbraw/zinc/59/81/77/551598177.db2.gz	STINBBOGXFDZGS-CQSZACIVSA-N	1	0	374.460	1.940	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCOC[C@@H]2[C@H]2CCCC[C@H]2O)cc1	ZINC000585800667	551606871	/nfs/dbraw/zinc/60/68/71/551606871.db2.gz	DVZVCDMZDFDRRP-VBSBHUPXSA-N	1	0	360.454	1.550	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@](O)(C(=O)N3CCCC3)C2)cc1	ZINC000585803955	551608130	/nfs/dbraw/zinc/60/81/30/551608130.db2.gz	SWRCFNDCJDYVSD-HXUWFJFHSA-N	1	0	370.453	1.336	20	30		FDEDRO
C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)NCc1ccc(C#N)cc1F	ZINC000586859019	551626706	/nfs/dbraw/zinc/62/67/06/551626706.db2.gz	PEAYRUHKDVJUSK-ZIAGYGMSSA-N	1	0	360.433	1.693	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)C1	ZINC000587664365	551633409	/nfs/dbraw/zinc/63/34/09/551633409.db2.gz	HSGFONXYIROPEK-NVXWUHKLSA-N	1	0	356.470	1.830	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1cccc(C#N)c1	ZINC000587704919	551634248	/nfs/dbraw/zinc/63/42/48/551634248.db2.gz	QEARWSMOUOMBAG-OAHLLOKOSA-N	1	0	363.421	1.479	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCC(=O)NCC#N	ZINC000588077619	551644692	/nfs/dbraw/zinc/64/46/92/551644692.db2.gz	RTCPVZHUEGZGMK-OAHLLOKOSA-N	1	0	358.442	1.309	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C1CCC1	ZINC000588317358	551666045	/nfs/dbraw/zinc/66/60/45/551666045.db2.gz	BPIARHIKRKHRBL-OAHLLOKOSA-N	1	0	356.470	1.753	20	30		FDEDRO
COCC[N@H+](C)CCOc1cccc(CNC(=O)c2cccc(C#N)n2)c1	ZINC000589383397	551726370	/nfs/dbraw/zinc/72/63/70/551726370.db2.gz	VNYYBJPNSFETIP-UHFFFAOYSA-N	1	0	368.437	1.840	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2cccc(C#N)n2)cc1	ZINC000589397815	551726965	/nfs/dbraw/zinc/72/69/65/551726965.db2.gz	FJHIQCMKBUTVSQ-UHFFFAOYSA-N	1	0	351.410	1.175	20	30		FDEDRO
COc1cc(CNC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)ccc1C#N	ZINC000589712032	551744332	/nfs/dbraw/zinc/74/43/32/551744332.db2.gz	SXNJKNXHJCQYLX-SFHVURJKSA-N	1	0	371.485	1.488	20	30		FDEDRO
C[C@@H](NC(=O)N1CCN(c2cnccc2C#N)CC1)C1CC[NH+](C)CC1	ZINC000589887021	551749258	/nfs/dbraw/zinc/74/92/58/551749258.db2.gz	XPWMEAUXUFVREP-OAHLLOKOSA-N	1	0	356.474	1.515	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)NCC(=O)NCC[NH+]1CCCCCC1	ZINC000590470870	551786276	/nfs/dbraw/zinc/78/62/76/551786276.db2.gz	RUPYQDRERFUIJC-INIZCTEOSA-N	1	0	372.469	1.434	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCC([N@@H+]2CCOC[C@@H]2C)CC1	ZINC000590556171	551791938	/nfs/dbraw/zinc/79/19/38/551791938.db2.gz	YYMOGXLOCDNZQA-HNNXBMFYSA-N	1	0	373.453	1.657	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)NC[C@@H]2CCCC[N@H+]2CCO)cc1	ZINC000590768050	551815085	/nfs/dbraw/zinc/81/50/85/551815085.db2.gz	VFVJDWCMPTWFGW-RBUKOAKNSA-N	1	0	356.470	1.490	20	30		FDEDRO
N#CC1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1	ZINC000590981140	551832102	/nfs/dbraw/zinc/83/21/02/551832102.db2.gz	DZRBXJLNASSPPD-SFHVURJKSA-N	1	0	360.502	1.863	20	30		FDEDRO
C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)cc1F	ZINC000591023225	551836620	/nfs/dbraw/zinc/83/66/20/551836620.db2.gz	PAKDWSFZPSFYKG-QGZVFWFLSA-N	1	0	366.368	1.169	20	30		FDEDRO
C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1	ZINC000591289635	551856652	/nfs/dbraw/zinc/85/66/52/551856652.db2.gz	CZJMPRMDMIASHL-OAHLLOKOSA-N	1	0	365.393	1.504	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NCC[NH2+]C2CC2)cc1Br	ZINC000591294697	551857310	/nfs/dbraw/zinc/85/73/10/551857310.db2.gz	JPDMYAVQZWNXJO-UHFFFAOYSA-N	1	0	351.204	1.127	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)n1	ZINC000591297520	551857924	/nfs/dbraw/zinc/85/79/24/551857924.db2.gz	ZBCUREIYGIWTNP-IBGZPJMESA-N	1	0	368.416	2.490	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1	ZINC000591308473	551860279	/nfs/dbraw/zinc/86/02/79/551860279.db2.gz	VQSBVEZBEXMRDN-JKSUJKDBSA-N	1	0	370.453	1.744	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCC[C@@H]2CC[NH2+]C2)CC1	ZINC000591359407	551865970	/nfs/dbraw/zinc/86/59/70/551865970.db2.gz	QDIDJGRFODJZBY-ZDUSSCGKSA-N	1	0	358.446	1.255	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1	ZINC000591360460	551866153	/nfs/dbraw/zinc/86/61/53/551866153.db2.gz	XXGXQGQSQRPPNE-UHFFFAOYSA-N	1	0	362.437	1.588	20	30		FDEDRO
C=C[C@@H](NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1)C(=O)OC	ZINC000591375108	551867093	/nfs/dbraw/zinc/86/70/93/551867093.db2.gz	TUPSWIAQNPMASH-LJQANCHMSA-N	1	0	373.497	1.675	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N2CCN(C[C@@H]3CCCO3)CC2)cc1	ZINC000591497269	551875360	/nfs/dbraw/zinc/87/53/60/551875360.db2.gz	DEHMSZWOSRQYQO-SFHVURJKSA-N	1	0	372.469	1.931	20	30		FDEDRO
C=CCOCC(=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1	ZINC000591643122	551889335	/nfs/dbraw/zinc/88/93/35/551889335.db2.gz	YNKPPZYACATJDM-UHFFFAOYSA-N	1	0	351.491	1.420	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1	ZINC000591728852	551904329	/nfs/dbraw/zinc/90/43/29/551904329.db2.gz	ZRBKDIZNAXZCOY-DLBZAZTESA-N	1	0	350.532	1.756	20	30		FDEDRO
COc1cccc2c1OC[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C2	ZINC000591733878	551904926	/nfs/dbraw/zinc/90/49/26/551904926.db2.gz	YPNMLRZHHGGPLZ-MRXNPFEDSA-N	1	0	372.446	1.934	20	30		FDEDRO
C[NH+]1CCC(Oc2ccc(CNC(=O)N3CC[C@@](O)(CC#N)C3)cc2)CC1	ZINC000592019773	551927468	/nfs/dbraw/zinc/92/74/68/551927468.db2.gz	KANCNTIHPYOPDZ-FQEVSTJZSA-N	1	0	372.469	1.720	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)CC1	ZINC000592070248	551935636	/nfs/dbraw/zinc/93/56/36/551935636.db2.gz	IDOGOGIVKUFTEN-HNNXBMFYSA-N	1	0	365.499	1.428	20	30		FDEDRO
N#CCc1ccc(CNC(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1	ZINC000592217602	551962007	/nfs/dbraw/zinc/96/20/07/551962007.db2.gz	NFBVUKCWOGBDOG-KRWDZBQOSA-N	1	0	353.430	1.350	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)cc1C(F)(F)F	ZINC000592390477	551988362	/nfs/dbraw/zinc/98/83/62/551988362.db2.gz	WLBQMOJBUFRRBX-ZDUSSCGKSA-N	1	0	359.373	1.997	20	30		FDEDRO
C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	ZINC000592428400	551993948	/nfs/dbraw/zinc/99/39/48/551993948.db2.gz	IELDXYKFJDZASO-QWHCGFSZSA-N	1	0	367.409	1.926	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCCc3c2cnn3CCO)cc1	ZINC000592429307	551994124	/nfs/dbraw/zinc/99/41/24/551994124.db2.gz	GNIDJYOVIGGLSO-APWZRJJASA-N	1	0	370.453	1.348	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCOC2(CC[NH+](C)CC2)C1	ZINC000592898654	552040298	/nfs/dbraw/zinc/04/02/98/552040298.db2.gz	LNKLPZQEOKAHNA-UHFFFAOYSA-N	1	0	373.501	1.669	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@@H]3CCCCNC3=O)CC2)c1	ZINC000593003741	552052510	/nfs/dbraw/zinc/05/25/10/552052510.db2.gz	MXUWDRLVVGCDHF-GOSISDBHSA-N	1	0	369.469	1.491	20	30		FDEDRO
N#Cc1ccc(CN2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c([N+](=O)[O-])c1	ZINC000593017066	552053488	/nfs/dbraw/zinc/05/34/88/552053488.db2.gz	GNHVATDEAXAHIG-MRXNPFEDSA-N	1	0	357.414	1.381	20	30		FDEDRO
COCC[N@@H+]1CCN(C[C@H](O)COc2ccc(CC#N)cc2)C(C)(C)C1	ZINC000593101541	552062422	/nfs/dbraw/zinc/06/24/22/552062422.db2.gz	XEWSARNTMPLUED-SFHVURJKSA-N	1	0	361.486	1.535	20	30		FDEDRO
Cc1c(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)nnn1C	ZINC000593222095	552074283	/nfs/dbraw/zinc/07/42/83/552074283.db2.gz	GRZYTEAWKWCETR-UHFFFAOYSA-N	1	0	353.430	1.781	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCC2(C#N)CCCC2)c1	ZINC000593340993	552092167	/nfs/dbraw/zinc/09/21/67/552092167.db2.gz	VNGQHJVADWJICC-UHFFFAOYSA-N	1	0	371.485	1.861	20	30		FDEDRO
COCCn1ccc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1	ZINC000593350738	552094148	/nfs/dbraw/zinc/09/41/48/552094148.db2.gz	FJNCXEIAVIUDBB-UHFFFAOYSA-N	1	0	367.453	1.796	20	30		FDEDRO
N#Cc1cccc2c1CN(C(=O)NC1CC[NH+]([C@H]3CCC[C@H]3O)CC1)C2	ZINC000593381543	552099361	/nfs/dbraw/zinc/09/93/61/552099361.db2.gz	IAVONXDXVZGUCZ-RBUKOAKNSA-N	1	0	354.454	1.961	20	30		FDEDRO
C[NH+](C)CCN1CCN(c2ccc(Br)cc2C#N)CC1=O	ZINC000593486026	552116306	/nfs/dbraw/zinc/11/63/06/552116306.db2.gz	GZYJTWISPXGKRF-UHFFFAOYSA-N	1	0	351.248	1.531	20	30		FDEDRO
COc1cc(OC)c2ncc(C#N)c(N3CC([N@@H+]4CC[C@@H](O)C4)C3)c2c1	ZINC000593504565	552118725	/nfs/dbraw/zinc/11/87/25/552118725.db2.gz	QBNVYJXKQQHGEM-CQSZACIVSA-N	1	0	354.410	1.379	20	30		FDEDRO
CN1CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1=O	ZINC000593512483	552120174	/nfs/dbraw/zinc/12/01/74/552120174.db2.gz	PNJIINIGXNKZSC-UHFFFAOYSA-N	1	0	355.442	1.006	20	30		FDEDRO
Cn1ncc2c1nc(NC1CC[NH+](Cc3cccc(C#N)c3)CC1)[nH]c2=O	ZINC000593515616	552121076	/nfs/dbraw/zinc/12/10/76/552121076.db2.gz	OLXINKHOXJLNMH-UHFFFAOYSA-N	1	0	363.425	2.017	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N(C)CC[NH+]1CCCC1	ZINC000593542672	552128267	/nfs/dbraw/zinc/12/82/67/552128267.db2.gz	KNDATWISIQJFFB-UHFFFAOYSA-N	1	0	351.428	1.061	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)C[N@H+](C)C(C)C	ZINC000593596690	552147113	/nfs/dbraw/zinc/14/71/13/552147113.db2.gz	SRYRVNBTTMJNKE-LBPRGKRZSA-N	1	0	353.444	1.352	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCCCC[N@H+](C)C1CC1	ZINC000593606716	552150257	/nfs/dbraw/zinc/15/02/57/552150257.db2.gz	XOAAIULKHGQWHO-UHFFFAOYSA-N	1	0	365.455	1.498	20	30		FDEDRO
C[NH2+]Cc1ccccc1CNC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000593717413	552181698	/nfs/dbraw/zinc/18/16/98/552181698.db2.gz	FZJWIZGLSLLKSD-UHFFFAOYSA-N	1	0	364.453	1.704	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1C#N	ZINC000593732504	552185976	/nfs/dbraw/zinc/18/59/76/552185976.db2.gz	OPMPPFOIMLMMNB-UAGQMJEPSA-N	1	0	363.483	1.916	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2Cc3cccc(C#N)c3C2)CC1=O	ZINC000593892938	552219489	/nfs/dbraw/zinc/21/94/89/552219489.db2.gz	YOCIPJBMTBHGKZ-ZWKOTPCHSA-N	1	0	366.465	1.733	20	30		FDEDRO
C[C@@H](O)C[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C1CC1	ZINC000594065796	552245585	/nfs/dbraw/zinc/24/55/85/552245585.db2.gz	UVZDYEJYCJZHLZ-GDBMZVCRSA-N	1	0	362.499	1.302	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12	ZINC000594283546	552277291	/nfs/dbraw/zinc/27/72/91/552277291.db2.gz	JNISWJIMYNEYDN-CVEARBPZSA-N	1	0	359.478	1.454	20	30		FDEDRO
CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc1	ZINC000594426470	552308133	/nfs/dbraw/zinc/30/81/33/552308133.db2.gz	ROOKPSOYYIVXOI-HNNXBMFYSA-N	1	0	352.460	1.723	20	30		FDEDRO
Cc1c(NC(=O)[C@@H]([NH3+])CCCCC#N)cccc1C(=O)N1CCOCC1	ZINC000594431670	552308676	/nfs/dbraw/zinc/30/86/76/552308676.db2.gz	PNFVIKYWLJUSKO-INIZCTEOSA-N	1	0	358.442	1.817	20	30		FDEDRO
COC(=O)c1cn(-c2cccc(NC(=O)[C@@H]([NH3+])CCCCC#N)c2)nn1	ZINC000594435375	552309272	/nfs/dbraw/zinc/30/92/72/552309272.db2.gz	DNXUSUXDMWOMNL-AWEZNQCLSA-N	1	0	356.386	1.404	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1	ZINC000594439401	552310508	/nfs/dbraw/zinc/31/05/08/552310508.db2.gz	VIPWLXNZMQMZRA-RBUKOAKNSA-N	1	0	358.486	1.457	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N1CCN(c2ncnc3sccc32)CC1	ZINC000594441920	552310790	/nfs/dbraw/zinc/31/07/90/552310790.db2.gz	YLVDVALIXHMTGJ-CQSZACIVSA-N	1	0	358.471	1.751	20	30		FDEDRO
Cc1cc(N2CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC2)nc(C(C)C)n1	ZINC000594441702	552311153	/nfs/dbraw/zinc/31/11/53/552311153.db2.gz	VLELHENVVKZZBA-INIZCTEOSA-N	1	0	358.490	1.968	20	30		FDEDRO
Cc1cccc([C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)N2CCOCC2)c1	ZINC000594441730	552311334	/nfs/dbraw/zinc/31/13/34/552311334.db2.gz	VWDUJMHMCDHWSY-RBUKOAKNSA-N	1	0	358.486	1.896	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1	ZINC000594445771	552312305	/nfs/dbraw/zinc/31/23/05/552312305.db2.gz	LQEPVRAVLIMSTE-ZJPYXAASSA-N	1	0	354.454	1.671	20	30		FDEDRO
Cn1nnc2c1CC[C@@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)C2	ZINC000594517114	552327010	/nfs/dbraw/zinc/32/70/10/552327010.db2.gz	VHMDHHINYJVUNH-MRXNPFEDSA-N	1	0	362.441	1.634	20	30		FDEDRO
Cn1nnc2c1CC[C@H]([NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)C2	ZINC000594522970	552327246	/nfs/dbraw/zinc/32/72/46/552327246.db2.gz	UFHRPDRNUOMSRV-SFHVURJKSA-N	1	0	350.470	1.798	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F	ZINC000594532441	552329769	/nfs/dbraw/zinc/32/97/69/552329769.db2.gz	AOXPFLTXHIEFLK-LBPRGKRZSA-N	1	0	358.320	1.290	20	30		FDEDRO
COC(=O)c1ccc(NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c(C#N)n1	ZINC000594548209	552332060	/nfs/dbraw/zinc/33/20/60/552332060.db2.gz	RBBNSIYUVPZIEY-INIZCTEOSA-N	1	0	359.430	1.094	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1	ZINC000594620168	552342468	/nfs/dbraw/zinc/34/24/68/552342468.db2.gz	BZNZVNDCXJJFTP-ZWKOTPCHSA-N	1	0	354.454	1.502	20	30		FDEDRO
N#Cc1cc(Cl)cc(Br)c1N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1	ZINC000594700755	552358668	/nfs/dbraw/zinc/35/86/68/552358668.db2.gz	AELKZFMBXDSKGW-CMPLNLGQSA-N	1	0	369.650	1.722	20	30		FDEDRO
COCc1csc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)c1	ZINC000594733519	552366840	/nfs/dbraw/zinc/36/68/40/552366840.db2.gz	XHBKUIJGNWFGBO-UHFFFAOYSA-N	1	0	351.453	1.725	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)NCC2CC[NH+](C3CCOCC3)CC2)c1	ZINC000594792199	552386560	/nfs/dbraw/zinc/38/65/60/552386560.db2.gz	MEFVDWMHUPMORG-UHFFFAOYSA-N	1	0	363.483	1.728	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1	ZINC000595120124	552457687	/nfs/dbraw/zinc/45/76/87/552457687.db2.gz	NMOPYEMVPCULEZ-IAGOWNOFSA-N	1	0	371.462	1.991	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)CC[N@@H+]1Cc1ccccc1	ZINC000595173141	552477294	/nfs/dbraw/zinc/47/72/94/552477294.db2.gz	WOHWEKQUDOXNIR-DYESRHJHSA-N	1	0	368.481	1.872	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1C#N	ZINC000595197789	552487503	/nfs/dbraw/zinc/48/75/03/552487503.db2.gz	WYXONLURHWVDFD-OAHLLOKOSA-N	1	0	356.426	1.175	20	30		FDEDRO
C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)C1	ZINC000595202001	552488966	/nfs/dbraw/zinc/48/89/66/552488966.db2.gz	VTTXDFLFLNZYBR-GHTZIAJQSA-N	1	0	368.481	1.524	20	30		FDEDRO
N#CCCn1ccc(NC(=O)N[C@H]2C[NH2+]CC[C@H]2c2cccc(F)c2)n1	ZINC000595230090	552499067	/nfs/dbraw/zinc/49/90/67/552499067.db2.gz	RNEWFZVCHKTYAB-HOTGVXAUSA-N	1	0	356.405	2.203	20	30		FDEDRO
CCCc1c(NC(=O)C(=O)N[C@@H](C)C[NH2+]C)cnn1-c1cccc(C#N)c1	ZINC000595245066	552503948	/nfs/dbraw/zinc/50/39/48/552503948.db2.gz	OWNZEBVOQFNCNZ-ZDUSSCGKSA-N	1	0	368.441	1.359	20	30		FDEDRO
N#Cc1ccc(OC2CCC(NC(=O)NCC34CC(C3)C[NH2+]4)CC2)nc1	ZINC000595265051	552507856	/nfs/dbraw/zinc/50/78/56/552507856.db2.gz	WUYGBCWTRYZVIM-UHFFFAOYSA-N	1	0	355.442	1.694	20	30		FDEDRO
N#Cc1sccc1N1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1	ZINC000595274432	552509843	/nfs/dbraw/zinc/50/98/43/552509843.db2.gz	QZYHRLYQKVGDBJ-RRFJBIMHSA-N	1	0	359.499	1.839	20	30		FDEDRO
C[NH2+]C[C@@H](C)NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595275142	552510062	/nfs/dbraw/zinc/51/00/62/552510062.db2.gz	HQFMCPYSXPYNCW-CQSZACIVSA-N	1	0	367.457	1.388	20	30		FDEDRO
C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000595345133	552532164	/nfs/dbraw/zinc/53/21/64/552532164.db2.gz	NAXIZTXLNTZFKP-LBPRGKRZSA-N	1	0	352.416	1.571	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2cccc(CC#N)c2)CCO1	ZINC000595405551	552551909	/nfs/dbraw/zinc/55/19/09/552551909.db2.gz	YAQILQXMAJXHEV-INIZCTEOSA-N	1	0	351.472	1.484	20	30		FDEDRO
COC(=O)c1cccc(CN2CCC(CO)([NH2+]CC(C)C)CC2)c1C#N	ZINC000595512052	552575936	/nfs/dbraw/zinc/57/59/36/552575936.db2.gz	LNEYZZBKMXQJOF-UHFFFAOYSA-N	1	0	359.470	1.917	20	30		FDEDRO
Cc1oc(NC(=O)CN2CCC(CO)([NH2+]CC(C)C)CC2)c(C#N)c1C	ZINC000595510867	552576030	/nfs/dbraw/zinc/57/60/30/552576030.db2.gz	FWMFYBQSTARYAN-UHFFFAOYSA-N	1	0	362.474	1.779	20	30		FDEDRO
CC(C)C[NH2+]C1(CO)CCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1	ZINC000595510840	552576157	/nfs/dbraw/zinc/57/61/57/552576157.db2.gz	FOVDIBANUBXBHO-FUHWJXTLSA-N	1	0	352.523	1.502	20	30		FDEDRO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@H](CO)C2CCC2)CC1	ZINC000595616995	552593447	/nfs/dbraw/zinc/59/34/47/552593447.db2.gz	PXVIAMPGFZCZGN-CVEARBPZSA-N	1	0	362.499	1.208	20	30		FDEDRO
CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000595631696	552595544	/nfs/dbraw/zinc/59/55/44/552595544.db2.gz	KDOYGRDTBBZKAC-LZLYRXPVSA-N	1	0	366.483	1.488	20	30		FDEDRO
C=CC[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1	ZINC000595658717	552598335	/nfs/dbraw/zinc/59/83/35/552598335.db2.gz	HXNUVXTXDAPRCP-MRXNPFEDSA-N	1	0	357.458	1.791	20	30		FDEDRO
CC(C)NC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000595851293	552623645	/nfs/dbraw/zinc/62/36/45/552623645.db2.gz	QMIAQZGVBPLOQB-SJLPKXTDSA-N	1	0	354.454	1.900	20	30		FDEDRO
COC(=O)c1cnc([C@H]2CCC[N@H+](CCC(=O)N(C)CCC#N)C2)s1	ZINC000595919389	552633469	/nfs/dbraw/zinc/63/34/69/552633469.db2.gz	LTRBJEDZXOXXDP-ZDUSSCGKSA-N	1	0	364.471	1.871	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CCN(C(=O)C[C@H]4CCC[NH2+]4)CC3)n[nH]2)cc1	ZINC000595972136	552640498	/nfs/dbraw/zinc/64/04/98/552640498.db2.gz	UFEAJJUYOXFLQO-QGZVFWFLSA-N	1	0	364.453	1.739	20	30		FDEDRO
C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1	ZINC000595982085	552640893	/nfs/dbraw/zinc/64/08/93/552640893.db2.gz	RDYMJPJKYNOWQL-HNNXBMFYSA-N	1	0	372.469	1.432	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1	ZINC000596067336	552652014	/nfs/dbraw/zinc/65/20/14/552652014.db2.gz	ZIWSZJKEYNRGFA-MOPGFXCFSA-N	1	0	359.470	1.335	20	30		FDEDRO
Cc1ccc(C#N)nc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1	ZINC000596135619	552659167	/nfs/dbraw/zinc/65/91/67/552659167.db2.gz	XOTOLQOCNOPHQF-UHFFFAOYSA-N	1	0	365.441	1.215	20	30		FDEDRO
N#Cc1cc2cccnc2nc1N1CCC(O)(C[NH+]2CCOCC2)CC1	ZINC000596188586	552663007	/nfs/dbraw/zinc/66/30/07/552663007.db2.gz	IPJKYRGJLAWGES-UHFFFAOYSA-N	1	0	353.426	1.165	20	30		FDEDRO
Cc1cc(N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)cc(C#N)c1[N+](=O)[O-]	ZINC000596261680	552669151	/nfs/dbraw/zinc/66/91/51/552669151.db2.gz	TVMAERPMPXCDSC-OAHLLOKOSA-N	1	0	357.414	1.566	20	30		FDEDRO
C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)N=c2ccn(CCC#N)[nH]2)C1	ZINC000596753083	552707437	/nfs/dbraw/zinc/70/74/37/552707437.db2.gz	MMICIJRHQMBOQH-GOSISDBHSA-N	1	0	366.469	2.577	20	30		FDEDRO
Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1Cc2cccc(C#N)c2C1	ZINC000597272368	552768427	/nfs/dbraw/zinc/76/84/27/552768427.db2.gz	KJOKODDYIBTXNO-WBVHZDCISA-N	1	0	350.426	1.743	20	30		FDEDRO
C[C@H](C#N)CN(C)c1nnc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1C[C@H]1CCCO1	ZINC000597337407	552776782	/nfs/dbraw/zinc/77/67/82/552776782.db2.gz	LDCCRJHJNMNKIC-VQHPVUNQSA-N	1	0	374.489	1.589	20	30		FDEDRO
Cn1cc(CCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)nn1	ZINC000597473684	552793368	/nfs/dbraw/zinc/79/33/68/552793368.db2.gz	AKMVQMWBUGHISM-UHFFFAOYSA-N	1	0	352.442	1.422	20	30		FDEDRO
CSc1nc(C2CC2)cc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c1C#N	ZINC000597627044	552814231	/nfs/dbraw/zinc/81/42/31/552814231.db2.gz	XDIRWJGTCNVHAM-CQSZACIVSA-N	1	0	371.510	1.672	20	30		FDEDRO
Cc1cc(C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)ncc1C#N	ZINC000597993154	552853757	/nfs/dbraw/zinc/85/37/57/552853757.db2.gz	ZSKRKWLTGHUGQU-SFHVURJKSA-N	1	0	350.422	1.758	20	30		FDEDRO
N#Cc1ccc(NCC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)nc1	ZINC000598061753	552862309	/nfs/dbraw/zinc/86/23/09/552862309.db2.gz	HAPXVFYSRYOXDG-UHFFFAOYSA-N	1	0	364.453	1.789	20	30		FDEDRO
Cc1c(C(=O)N2CC[C@](C)(C#N)C2)nnn1-c1cccc2c1CC[N@@H+](C)C2	ZINC000598412384	552893338	/nfs/dbraw/zinc/89/33/38/552893338.db2.gz	NDZRWKGKUBVHLA-HXUWFJFHSA-N	1	0	364.453	1.939	20	30		FDEDRO
C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000598600805	552913585	/nfs/dbraw/zinc/91/35/85/552913585.db2.gz	KEPBPPSSVOGEST-DZGCQCFKSA-N	1	0	353.488	1.888	20	30		FDEDRO
CN1CCN([C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)c2cccs2)CC1	ZINC000598703360	552927057	/nfs/dbraw/zinc/92/70/57/552927057.db2.gz	GZIXGEGLVPXTIZ-CVEARBPZSA-N	1	0	350.532	1.927	20	30		FDEDRO
CN(CC[NH2+]C[C@H](O)CC(C)(C)C#N)S(=O)(=O)c1ccc(F)cc1	ZINC000598725731	552928575	/nfs/dbraw/zinc/92/85/75/552928575.db2.gz	ZCXDTCDJVUSQIW-CQSZACIVSA-N	1	0	357.451	1.337	20	30		FDEDRO
N#CCc1cccc2c1CCN(C(=O)NCCCC[NH+]1CCOCC1)C2	ZINC000598970109	552952667	/nfs/dbraw/zinc/95/26/67/552952667.db2.gz	SDPJRLNTSCWMRS-UHFFFAOYSA-N	1	0	356.470	1.933	20	30		FDEDRO
COc1ccc(CN2CC[C@@H]2CNC(=O)NC2CCN(CC#N)CC2)cc1	ZINC000598986785	552954348	/nfs/dbraw/zinc/95/43/48/552954348.db2.gz	QMOTZPZCLDIHAB-GOSISDBHSA-N	1	0	371.485	1.557	20	30		FDEDRO
N#Cc1ccc(CN2CCCN(C(=O)c3cn4c(n3)COCC4)CC2)cc1	ZINC000598987134	552954388	/nfs/dbraw/zinc/95/43/88/552954388.db2.gz	NTDPEXZINLJFAN-UHFFFAOYSA-N	1	0	365.437	1.633	20	30		FDEDRO
C[NH2+]CCOCCNS(=O)(=O)c1sc2ccc(C#N)cc2c1C	ZINC000599106189	552968256	/nfs/dbraw/zinc/96/82/56/552968256.db2.gz	AMHLCMIGIYNAPA-UHFFFAOYSA-N	1	0	353.469	1.596	20	30		FDEDRO
C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)C[NH2+]1	ZINC000599106094	552968387	/nfs/dbraw/zinc/96/83/87/552968387.db2.gz	RTNCFUXJENBHJN-GXSJLCMTSA-N	1	0	358.261	1.740	20	30		FDEDRO
C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)C[NH2+]1	ZINC000599106096	552968426	/nfs/dbraw/zinc/96/84/26/552968426.db2.gz	RTNCFUXJENBHJN-MWLCHTKSSA-N	1	0	358.261	1.740	20	30		FDEDRO
CN1CC[NH+](CC2CN(c3ncc(Br)cc3C#N)C2)CC1	ZINC000599108899	552968791	/nfs/dbraw/zinc/96/87/91/552968791.db2.gz	OTQUHBBKJPSEEV-UHFFFAOYSA-N	1	0	350.264	1.399	20	30		FDEDRO
C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C2	ZINC000599112271	552969406	/nfs/dbraw/zinc/96/94/06/552969406.db2.gz	YEKRAXGMIOWYAI-GASCZTMLSA-N	1	0	350.400	1.087	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1CCCC[N@H+](C)C1	ZINC000599156687	552976110	/nfs/dbraw/zinc/97/61/10/552976110.db2.gz	IIQHXIUKPIETNC-JKSUJKDBSA-N	1	0	371.489	1.300	20	30		FDEDRO
N#CC1(C[C@H](O)CN2CC[NH+](CCc3ccccc3)CC2)CCOCC1	ZINC000599256387	553005313	/nfs/dbraw/zinc/00/53/13/553005313.db2.gz	ZECQSOMHAMZFCC-FQEVSTJZSA-N	1	0	357.498	1.918	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH+]2CCN(c3ccc(Cl)cn3)CC2)CCOCC1	ZINC000599271696	553010585	/nfs/dbraw/zinc/01/05/85/553010585.db2.gz	BJZQTXIFOBYJQC-INIZCTEOSA-N	1	0	364.877	1.928	20	30		FDEDRO
C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C[C@@H](O)CC2(C#N)CCOCC2)C[C@@H](C)O1	ZINC000599272000	553010880	/nfs/dbraw/zinc/01/08/80/553010880.db2.gz	GFOMELFYNUCAMU-YRXWBPOGSA-N	1	0	365.518	1.631	20	30		FDEDRO
CC(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000599280233	553013976	/nfs/dbraw/zinc/01/39/76/553013976.db2.gz	ZPAIHITVMHHKKD-IRXDYDNUSA-N	1	0	351.491	1.542	20	30		FDEDRO
C[C@@H](c1cccnc1)N1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1	ZINC000599299877	553019576	/nfs/dbraw/zinc/01/95/76/553019576.db2.gz	PDFXZMPAJOVNIF-HKUYNNGSSA-N	1	0	358.486	1.832	20	30		FDEDRO
C[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)CCC(=O)OC(C)(C)C	ZINC000599313258	553023398	/nfs/dbraw/zinc/02/33/98/553023398.db2.gz	WKDPKXJBGFKMQP-UHFFFAOYSA-N	1	0	356.422	1.950	20	30		FDEDRO
CCCN(CC(F)(F)F)C(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000599336598	553031002	/nfs/dbraw/zinc/03/10/02/553031002.db2.gz	LBVSNAWAYQJUGF-UHFFFAOYSA-N	1	0	360.384	1.529	20	30		FDEDRO
CS(=O)(=O)C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1ccccc1	ZINC000599353133	553035199	/nfs/dbraw/zinc/03/51/99/553035199.db2.gz	FTRSWIUOOOWLQT-IRXDYDNUSA-N	1	0	366.483	1.433	20	30		FDEDRO
N#CC1(C[C@H](O)CN2CCO[C@H](COc3ccccc3)C2)CCOCC1	ZINC000599391643	553043608	/nfs/dbraw/zinc/04/36/08/553043608.db2.gz	PFVPSYIGEWYJOI-HKUYNNGSSA-N	1	0	360.454	1.838	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1	ZINC000599398328	553045615	/nfs/dbraw/zinc/04/56/15/553045615.db2.gz	VALDDWMTGGFAPY-GOSISDBHSA-N	1	0	354.454	1.650	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)CCOCC1	ZINC000599401207	553046838	/nfs/dbraw/zinc/04/68/38/553046838.db2.gz	OFJOFDPEDSMSNI-QZTJIDSGSA-N	1	0	351.491	1.102	20	30		FDEDRO
C[C@@H]1C[C@]2(CCO1)C[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)C[C@H](C)O2	ZINC000599400809	553046952	/nfs/dbraw/zinc/04/69/52/553046952.db2.gz	YJRGMQUAGYZRBO-VUHPKUFZSA-N	1	0	352.475	1.716	20	30		FDEDRO
C[N@H+](CCn1cc(Br)cn1)C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599422520	553053755	/nfs/dbraw/zinc/05/37/55/553053755.db2.gz	UGTGSQHZOZBCOJ-AWEZNQCLSA-N	1	0	371.279	1.649	20	30		FDEDRO
CCOc1cccc(C[N@H+](CCO)C[C@@H](O)CC2(C#N)CCOCC2)c1	ZINC000599435632	553055979	/nfs/dbraw/zinc/05/59/79/553055979.db2.gz	XUJIPJLTZSSNHA-SFHVURJKSA-N	1	0	362.470	1.951	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2C[C@@H](CO)[C@H](CO)C2)c1	ZINC000599531466	553082122	/nfs/dbraw/zinc/08/21/22/553082122.db2.gz	YGNDNTIJQILXAE-SQNIBIBYSA-N	1	0	359.470	1.471	20	30		FDEDRO
Cc1oc(NC(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c(C#N)c1C	ZINC000599629394	553107605	/nfs/dbraw/zinc/10/76/05/553107605.db2.gz	LRTIPXFPJRVAGW-PBHICJAKSA-N	1	0	356.382	1.927	20	30		FDEDRO
COC(=O)[C@@H]1CC[N@H+](CC(=O)NCc2cccc(C#N)c2)[C@@H]2CCC[C@@H]21	ZINC000599661190	553115451	/nfs/dbraw/zinc/11/54/51/553115451.db2.gz	SSAGGJDOFLZLCL-KZNAEPCWSA-N	1	0	355.438	1.838	20	30		FDEDRO
N#CCc1cccc2c1CC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)C2	ZINC000599676379	553119411	/nfs/dbraw/zinc/11/94/11/553119411.db2.gz	CCJGXHUSHYDBTA-UHFFFAOYSA-N	1	0	368.359	1.889	20	30		FDEDRO
COc1cc(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c(F)cc1C#N	ZINC000599807646	553153359	/nfs/dbraw/zinc/15/33/59/553153359.db2.gz	DECGEDMBKFWRRE-NSHDSACASA-N	1	0	363.393	1.290	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)cc1C#N	ZINC000599890612	553168628	/nfs/dbraw/zinc/16/86/28/553168628.db2.gz	SIWIJVOPKZVYSJ-INIZCTEOSA-N	1	0	358.442	1.740	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1	ZINC000599900474	553171368	/nfs/dbraw/zinc/17/13/68/553171368.db2.gz	RTIYCMFEAGPHJJ-OCCSQVGLSA-N	1	0	368.359	1.677	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(F)c1	ZINC000599903440	553171524	/nfs/dbraw/zinc/17/15/24/553171524.db2.gz	DOSQSTVVTQTHCX-HNNXBMFYSA-N	1	0	374.416	1.253	20	30		FDEDRO
C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	ZINC000599903809	553172178	/nfs/dbraw/zinc/17/21/78/553172178.db2.gz	LYUMOXFAPGLBDR-BLLLJJGKSA-N	1	0	365.393	1.551	20	30		FDEDRO
CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cc(OC)c(C#N)cc1F	ZINC000599932693	553176215	/nfs/dbraw/zinc/17/62/15/553176215.db2.gz	YXVHJBOUMAVOSN-LLVKDONJSA-N	1	0	350.394	1.491	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(F)cc1C#N	ZINC000599936703	553177852	/nfs/dbraw/zinc/17/78/52/553177852.db2.gz	AEULPGYNSFRBMO-HIFRSBDPSA-N	1	0	360.389	1.387	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c(F)cc1C#N	ZINC000599956021	553184585	/nfs/dbraw/zinc/18/45/85/553184585.db2.gz	UNUAYMRNHHJKSP-LLVKDONJSA-N	1	0	364.421	1.737	20	30		FDEDRO
CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1	ZINC000600047569	553208173	/nfs/dbraw/zinc/20/81/73/553208173.db2.gz	NALXZINUEOGUQK-UHFFFAOYSA-N	1	0	374.416	1.349	20	30		FDEDRO
C[N@@H+]1CCCC[C@H](CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1	ZINC000600310300	553247456	/nfs/dbraw/zinc/24/74/56/553247456.db2.gz	HSLPJRVOQLTBDF-QGZVFWFLSA-N	1	0	363.483	1.321	20	30		FDEDRO
C[NH+](C)C[C@@H](NC(=O)Cn1cnc(C#N)n1)c1ccc(Cl)c(Cl)c1	ZINC000600471985	553273362	/nfs/dbraw/zinc/27/33/62/553273362.db2.gz	MEMRCVUZYGVGDV-CYBMUJFWSA-N	1	0	367.240	1.876	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1	ZINC000600716757	553306211	/nfs/dbraw/zinc/30/62/11/553306211.db2.gz	LVJCLRLSKZILGE-INIZCTEOSA-N	1	0	363.483	1.615	20	30		FDEDRO
CCC(CC)[C@@H](C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)N1CCOCC1	ZINC000600719931	553306755	/nfs/dbraw/zinc/30/67/55/553306755.db2.gz	VNTZBANPHVFKCO-RBUKOAKNSA-N	1	0	367.534	1.784	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCS(=O)(=O)c1ccccc1	ZINC000600720664	553306931	/nfs/dbraw/zinc/30/69/31/553306931.db2.gz	JBIWNYVOSCOAAL-INIZCTEOSA-N	1	0	360.435	1.361	20	30		FDEDRO
COc1cccc(N2CC[C@@H]([NH2+]C[C@@H](O)CC3(C#N)CCOCC3)C2)c1	ZINC000600721996	553307038	/nfs/dbraw/zinc/30/70/38/553307038.db2.gz	OOFGRFUDHRXQPK-AEFFLSMTSA-N	1	0	359.470	1.935	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]CC(=O)N2CCc3ccccc3C2)CCOCC1	ZINC000600722984	553307117	/nfs/dbraw/zinc/30/71/17/553307117.db2.gz	LFVZZOSTARTFSZ-GOSISDBHSA-N	1	0	357.454	1.232	20	30		FDEDRO
CN(C)C(=O)Nc1cccc(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)c1	ZINC000600721481	553307170	/nfs/dbraw/zinc/30/71/70/553307170.db2.gz	AMVLRDDTVZCIKR-QGZVFWFLSA-N	1	0	360.458	1.941	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1	ZINC000600721101	553307186	/nfs/dbraw/zinc/30/71/86/553307186.db2.gz	SHKXSGUUKVSIRB-DZGCQCFKSA-N	1	0	357.376	1.772	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCNC(=O)Cc1cccc(F)c1	ZINC000600724340	553307567	/nfs/dbraw/zinc/30/75/67/553307567.db2.gz	SJHCTLTXIIZVRY-SFHVURJKSA-N	1	0	371.412	1.386	20	30		FDEDRO
COc1cc(CN2CC[C@H]([NH2+]C[C@@H](O)CC3(C#N)CC3)C2)cc(OC)c1	ZINC000600729481	553308477	/nfs/dbraw/zinc/30/84/77/553308477.db2.gz	HHFJOVADSSQJEF-IRXDYDNUSA-N	1	0	359.470	1.922	20	30		FDEDRO
COc1ccc(-n2cc(C[NH2+]C[C@H](O)CC3(C#N)CCOCC3)nn2)cc1	ZINC000600732447	553308900	/nfs/dbraw/zinc/30/89/00/553308900.db2.gz	ZRKRKORMQNJXAP-QGZVFWFLSA-N	1	0	371.441	1.437	20	30		FDEDRO
CS(=O)(=O)C1(C[NH2+]C[C@H](O)COc2ccccc2C#N)CCCC1	ZINC000600739861	553309584	/nfs/dbraw/zinc/30/95/84/553309584.db2.gz	GFFSSOXYSHRWDF-HNNXBMFYSA-N	1	0	352.456	1.245	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)CC1	ZINC000600742448	553310040	/nfs/dbraw/zinc/31/00/40/553310040.db2.gz	WEGLMAHIEQWBMJ-AWEZNQCLSA-N	1	0	350.850	1.917	20	30		FDEDRO
Cc1ccc(C(C)(C)C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)nc1	ZINC000600756523	553311884	/nfs/dbraw/zinc/31/18/84/553311884.db2.gz	QXIVRFFGLVFNIK-UHFFFAOYSA-N	1	0	358.467	1.998	20	30		FDEDRO
Cn1c2cc(C[NH2+]C[C@H](O)COc3ccccc3C#N)ccc2oc1=O	ZINC000600758950	553312227	/nfs/dbraw/zinc/31/22/27/553312227.db2.gz	XSIBIGUBHSSFOB-HNNXBMFYSA-N	1	0	353.378	1.533	20	30		FDEDRO
Cn1c2cc(C[NH2+]C[C@@H](O)COc3ccccc3C#N)ccc2oc1=O	ZINC000600758951	553312310	/nfs/dbraw/zinc/31/23/10/553312310.db2.gz	XSIBIGUBHSSFOB-OAHLLOKOSA-N	1	0	353.378	1.533	20	30		FDEDRO
C[NH+](C)CCN1C[C@H](C(=O)N2CCc3c(CC#N)cccc3C2)CC1=O	ZINC000600782087	553314308	/nfs/dbraw/zinc/31/43/08/553314308.db2.gz	JFHVJNPPSNMAFK-QGZVFWFLSA-N	1	0	354.454	1.047	20	30		FDEDRO
CCOCn1nc(C)c(C[C@H](C)C(=O)NC2(C#N)CC[NH+](C)CC2)c1C	ZINC000601042957	553343332	/nfs/dbraw/zinc/34/33/32/553343332.db2.gz	OMUYQWSKBLZAJM-AWEZNQCLSA-N	1	0	361.490	1.777	20	30		FDEDRO
COCC[N@H+](C)CCN1C[C@H](Nc2ncc3c(c2C#N)CCC3)CC1=O	ZINC000601178490	553356923	/nfs/dbraw/zinc/35/69/23/553356923.db2.gz	SHJOGEYPMQABBM-OAHLLOKOSA-N	1	0	357.458	1.033	20	30		FDEDRO
COCCN1CCC[C@H](NS(=O)(=O)c2c(C)cc(F)cc2C#N)C1	ZINC000601338508	553378946	/nfs/dbraw/zinc/37/89/46/553378946.db2.gz	XPKOVFRGKQLPQK-HNNXBMFYSA-N	1	0	355.435	1.395	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)ccc1Oc1ccccc1	ZINC000601572011	553437842	/nfs/dbraw/zinc/43/78/42/553437842.db2.gz	DCBWGJDVRUGKKB-HOTGVXAUSA-N	1	0	362.389	1.862	20	30		FDEDRO
N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1	ZINC000601573960	553438101	/nfs/dbraw/zinc/43/81/01/553438101.db2.gz	OHLRXUNFVNQZAU-HOTGVXAUSA-N	1	0	362.389	1.862	20	30		FDEDRO
C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000601575495	553438498	/nfs/dbraw/zinc/43/84/98/553438498.db2.gz	QOPNURBNQMORCA-SCZZXKLOSA-N	1	0	351.204	1.207	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1C(F)(F)F	ZINC000601576814	553438724	/nfs/dbraw/zinc/43/87/24/553438724.db2.gz	WTWVBOWOBUEGPZ-TXEJJXNPSA-N	1	0	352.316	1.478	20	30		FDEDRO
CC(C)C[C@H](NC(=O)C1(C#N)CC2(CC2)C1)C(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000601599494	553443090	/nfs/dbraw/zinc/44/30/90/553443090.db2.gz	WIIHMUWDLQKRMQ-CVEARBPZSA-N	1	0	360.502	1.764	20	30		FDEDRO
C[C@H]1[C@H](NC(=O)N2CCN(CCC#N)CC2)CC[N@@H+]1Cc1ccccc1	ZINC000601610920	553445183	/nfs/dbraw/zinc/44/51/83/553445183.db2.gz	TWTPPIHBOOXJBL-PKOBYXMFSA-N	1	0	355.486	1.890	20	30		FDEDRO
CC(C)[C@@H](C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N)[NH+]1CCCCC1	ZINC000601741045	553467007	/nfs/dbraw/zinc/46/70/07/553467007.db2.gz	MTVPFCPXAMFWDG-HNNXBMFYSA-N	1	0	360.462	1.567	20	30		FDEDRO
N#Cc1c(F)cccc1C[NH2+]CCCN1CCN(c2ncccn2)CC1	ZINC000602006195	553501076	/nfs/dbraw/zinc/50/10/76/553501076.db2.gz	QSCMHOXRJXVWKS-UHFFFAOYSA-N	1	0	354.433	1.789	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H]([NH2+][C@H]3CCCS(=O)(=O)CC3)C2=O)cc1	ZINC000602016215	553501529	/nfs/dbraw/zinc/50/15/29/553501529.db2.gz	DIKNVAXJFSUIIB-DLBZAZTESA-N	1	0	361.467	1.216	20	30		FDEDRO
COC(=O)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1C	ZINC000602018131	553501951	/nfs/dbraw/zinc/50/19/51/553501951.db2.gz	VBNNEQUUHMFHCF-QGZVFWFLSA-N	1	0	366.421	1.574	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCCCCC#N	ZINC000602246842	553547870	/nfs/dbraw/zinc/54/78/70/553547870.db2.gz	SVBGDKGFUIFKIL-AEFFLSMTSA-N	1	0	356.470	1.681	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)N2CCN(CCC#N)CC2)C[N@@H+]1Cc1ccccc1	ZINC000602274480	553554365	/nfs/dbraw/zinc/55/43/65/553554365.db2.gz	RUWSOUGGXBWWLZ-HKUYNNGSSA-N	1	0	355.486	1.890	20	30		FDEDRO
CC(C)[C@@H]1CN(C(=O)NCC(=O)NCC#N)CC[N@@H+]1Cc1ccccc1	ZINC000602312491	553561672	/nfs/dbraw/zinc/56/16/72/553561672.db2.gz	LIJPYTPYBMHFHN-KRWDZBQOSA-N	1	0	357.458	1.178	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+]C1CCN(CCC(=O)N(C)C)CC1	ZINC000602539289	553602219	/nfs/dbraw/zinc/60/22/19/553602219.db2.gz	IQDYACXESUSJDJ-MRXNPFEDSA-N	1	0	350.507	1.618	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1(N2CCOCC2)CCOCC1	ZINC000602690330	553622852	/nfs/dbraw/zinc/62/28/52/553622852.db2.gz	JDYWZBIFCKHTLV-QGZVFWFLSA-N	1	0	351.491	1.556	20	30		FDEDRO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1	ZINC000602727027	553628428	/nfs/dbraw/zinc/62/84/28/553628428.db2.gz	YSRIJTXKHUXROW-HKUYNNGSSA-N	1	0	358.486	1.971	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](Cn2cnc3ccccc32)C1	ZINC000602815161	553643617	/nfs/dbraw/zinc/64/36/17/553643617.db2.gz	CRYJLDWLQRDQKC-HNNXBMFYSA-N	1	0	355.442	1.760	20	30		FDEDRO
C[C@@H]1C[NH+](CCC(=O)N2CCN(c3ccccn3)CC2)C[C@@H](C)N1CC#N	ZINC000602854174	553651208	/nfs/dbraw/zinc/65/12/08/553651208.db2.gz	AGNRPNIFRSUMDO-QZTJIDSGSA-N	1	0	370.501	1.038	20	30		FDEDRO
C[C@@H]1CN(CC(=O)NCCCOc2ccccc2F)C[C@H](C)N1CC#N	ZINC000602864437	553654430	/nfs/dbraw/zinc/65/44/30/553654430.db2.gz	QPSVQIKOBDKVBQ-IYBDPMFKSA-N	1	0	362.449	1.629	20	30		FDEDRO
C[C@]1(CO)C[C@@H](O)CN1CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000602905442	553665981	/nfs/dbraw/zinc/66/59/81/553665981.db2.gz	GEKOIGYPDHGXKI-NVXWUHKLSA-N	1	0	351.834	1.404	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CCN2C[C@@H](CO)[C@H](C(F)(F)F)C2)cc1	ZINC000602987888	553687070	/nfs/dbraw/zinc/68/70/70/553687070.db2.gz	VBMPDERAXIHECN-GXTWGEPZSA-N	1	0	362.373	1.435	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)n1cc(C[C@@H]2CC[NH2+]C2)nn1	ZINC000603175861	553722976	/nfs/dbraw/zinc/72/29/76/553722976.db2.gz	MVJWPZOKAGPECE-CVEARBPZSA-N	1	0	352.442	1.938	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](n3cc([C@@H]4CCC[NH2+]C4)nn3)C2=O)cc1	ZINC000603233473	553737506	/nfs/dbraw/zinc/73/75/06/553737506.db2.gz	ABLKXEPDCUEKQM-CRAIPNDOSA-N	1	0	350.426	1.985	20	30		FDEDRO
CC(C)[C@@H](CNc1ccc(C#N)cc1CS(N)(=O)=O)[NH+]1CCCC1	ZINC000603272677	553749598	/nfs/dbraw/zinc/74/95/98/553749598.db2.gz	TVUQYOLQVLBRFD-QGZVFWFLSA-N	1	0	350.488	1.879	20	30		FDEDRO
CC(C)[N@H+](C)CC1CCN(c2ccc(C#N)cc2CS(N)(=O)=O)CC1	ZINC000603275497	553750386	/nfs/dbraw/zinc/75/03/86/553750386.db2.gz	HLFVEYUVBKNKHB-UHFFFAOYSA-N	1	0	364.515	1.903	20	30		FDEDRO
N#Cc1ccc(NCC[NH+]2Cc3ccccc3C2)c(CS(N)(=O)=O)c1	ZINC000603280252	553752411	/nfs/dbraw/zinc/75/24/11/553752411.db2.gz	NQRATUDFUFMUGR-UHFFFAOYSA-N	1	0	356.451	1.774	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(c3cc(C#N)c(Br)cn3)C2)CC1	ZINC000603290371	553755733	/nfs/dbraw/zinc/75/57/33/553755733.db2.gz	KESYLPHSTVMMQU-CQSZACIVSA-N	1	0	364.291	1.932	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCC[C@H]1[NH+](C)C	ZINC000603314154	553762687	/nfs/dbraw/zinc/76/26/87/553762687.db2.gz	NQAIJJLAWDPZOM-ZIAGYGMSSA-N	1	0	351.428	1.106	20	30		FDEDRO
N#Cc1ccc(CC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)cc1	ZINC000603408987	553781318	/nfs/dbraw/zinc/78/13/18/553781318.db2.gz	ILMGNKNUUBOBDY-LJQANCHMSA-N	1	0	356.470	1.014	20	30		FDEDRO
CN(C)C(=O)CN(CC[NH+](C)C)c1cc(C#N)c(Br)cn1	ZINC000603411651	553782017	/nfs/dbraw/zinc/78/20/17/553782017.db2.gz	YCNYOCKJRVRSKH-UHFFFAOYSA-N	1	0	354.252	1.172	20	30		FDEDRO
N#Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)c1	ZINC000603422443	553784218	/nfs/dbraw/zinc/78/42/18/553784218.db2.gz	HHLAEDUQXSMEAE-MRXNPFEDSA-N	1	0	359.430	1.675	20	30		FDEDRO
N#Cc1c(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)nc2ccccn21	ZINC000603421736	553784358	/nfs/dbraw/zinc/78/43/58/553784358.db2.gz	BCIGGUZVQHQVCE-MRXNPFEDSA-N	1	0	354.458	1.414	20	30		FDEDRO
N#Cc1cc2c(nc1N[C@H]1CCC[N@H+](CCN3CCOCC3)C1)CCC2	ZINC000603423966	553784855	/nfs/dbraw/zinc/78/48/55/553784855.db2.gz	SJGBOHXDHXSKBC-SFHVURJKSA-N	1	0	355.486	1.650	20	30		FDEDRO
CC(C)(CCC#N)CNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000603429988	553786620	/nfs/dbraw/zinc/78/66/20/553786620.db2.gz	DSZKOBLCZWEJTG-QGZVFWFLSA-N	1	0	365.522	1.412	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1C[C@@H]2C[NH2+]C[C@H]2C1	ZINC000603867014	553822120	/nfs/dbraw/zinc/82/21/20/553822120.db2.gz	BNHPBVHHUQRDET-HOTGVXAUSA-N	1	0	359.474	1.103	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cc(C)nn2CCC#N)CC1=O	ZINC000609581666	554397060	/nfs/dbraw/zinc/39/70/60/554397060.db2.gz	TVQJBCWJDMYGFF-HZPDHXFCSA-N	1	0	372.473	1.377	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1	ZINC000609642624	554407005	/nfs/dbraw/zinc/40/70/05/554407005.db2.gz	NDBJKOZHUYEATK-CQSZACIVSA-N	1	0	370.457	1.492	20	30		FDEDRO
N#Cc1cc([N+](=O)[O-])cnc1NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000610160547	554470448	/nfs/dbraw/zinc/47/04/48/554470448.db2.gz	WQGWHVQCIMMQON-SFHVURJKSA-N	1	0	353.382	1.910	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)CC2)nc1	ZINC000610478367	554516062	/nfs/dbraw/zinc/51/60/62/554516062.db2.gz	UNHQKHYKNRPJHQ-UHFFFAOYSA-N	1	0	374.408	1.888	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(O[C@H]3CCOC3)CC2)cc1	ZINC000610497435	554519067	/nfs/dbraw/zinc/51/90/67/554519067.db2.gz	SJKFTLJEJUACRV-XLIONFOSSA-N	1	0	360.454	1.762	20	30		FDEDRO
C[NH+](C)C1CCN(CCNC(=O)c2cc3ccccc3n2CC#N)CC1	ZINC000610503616	554520049	/nfs/dbraw/zinc/52/00/49/554520049.db2.gz	RCIVHWMTZSJZCE-UHFFFAOYSA-N	1	0	353.470	1.921	20	30		FDEDRO
COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C2CCN(CC#N)CC2)c1	ZINC000610812597	554565569	/nfs/dbraw/zinc/56/55/69/554565569.db2.gz	CHHCXHCYLYIXOF-CQSZACIVSA-N	1	0	360.458	1.998	20	30		FDEDRO
C[C@@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1cccc(C#N)c1	ZINC000610846728	554570438	/nfs/dbraw/zinc/57/04/38/554570438.db2.gz	LDMURYDTLRWPCQ-CRAIPNDOSA-N	1	0	369.469	1.567	20	30		FDEDRO
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN(CCC#N)CC1	ZINC000611175876	554612517	/nfs/dbraw/zinc/61/25/17/554612517.db2.gz	MMHDNMCMMRCECB-UHFFFAOYSA-N	1	0	361.402	1.463	20	30		FDEDRO
C[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C[C@H](O)C1CC1	ZINC000611430256	554632962	/nfs/dbraw/zinc/63/29/62/554632962.db2.gz	VDFFGPXGWQXYTK-HOTGVXAUSA-N	1	0	362.499	1.160	20	30		FDEDRO
Cn1cc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nn1	ZINC000611941163	554706241	/nfs/dbraw/zinc/70/62/41/554706241.db2.gz	BJJCRCVRGVNOFT-UHFFFAOYSA-N	1	0	353.430	1.104	20	30		FDEDRO
C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CCC[C@@](C)(C#N)C2)c1	ZINC000612270772	554756067	/nfs/dbraw/zinc/75/60/67/554756067.db2.gz	RPJPKNKDDDQZQP-IBGZPJMESA-N	1	0	358.442	1.718	20	30		FDEDRO
C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cc(N(C)C)cc[nH+]1	ZINC000612346750	554765111	/nfs/dbraw/zinc/76/51/11/554765111.db2.gz	XDDJRHRLXXXDQT-LBPRGKRZSA-N	1	0	373.438	1.325	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1	ZINC000612727185	554831632	/nfs/dbraw/zinc/83/16/32/554831632.db2.gz	TXFKKLONRSTTQY-IRXDYDNUSA-N	1	0	359.474	1.631	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1	ZINC000613388271	554920692	/nfs/dbraw/zinc/92/06/92/554920692.db2.gz	NBCQYQZZSIOGCB-RTBURBONSA-N	1	0	359.470	1.340	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nc(C(C)(C)C)ccc2C#N)CC1	ZINC000613429879	554925238	/nfs/dbraw/zinc/92/52/38/554925238.db2.gz	UYQQBWIMVDGPRC-INIZCTEOSA-N	1	0	355.486	1.994	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CC[C@@H]([NH+]2CCN(C)CC2)CC1	ZINC000613515079	554934018	/nfs/dbraw/zinc/93/40/18/554934018.db2.gz	LUPLRPCLLFBIOC-FGTMMUONSA-N	1	0	350.507	1.132	20	30		FDEDRO
O=C(CN1C[C@H]2C[NH2+]C[C@H]2C1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000613994652	554995487	/nfs/dbraw/zinc/99/54/87/554995487.db2.gz	AEOXVJJDAOIOBC-GASCZTMLSA-N	1	0	351.372	1.324	20	30		FDEDRO
N#Cc1cc(O)cc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)c1	ZINC000614374558	555044237	/nfs/dbraw/zinc/04/42/37/555044237.db2.gz	UACJGXGOGULZBE-PXNSSMCTSA-N	1	0	365.433	1.877	20	30		FDEDRO
CCO[C@@H]1C[C@](CO)([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1(C)C	ZINC000614926325	555138698	/nfs/dbraw/zinc/13/86/98/555138698.db2.gz	GSGMKTJWPNJRCR-YVWKXTFCSA-N	1	0	362.470	1.648	20	30		FDEDRO
N#C[C@]1(F)CCN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1	ZINC000615591266	555217161	/nfs/dbraw/zinc/21/71/61/555217161.db2.gz	IEEUREZAMKQEOR-GOSISDBHSA-N	1	0	352.454	1.916	20	30		FDEDRO
N#CCC1(O)CN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1	ZINC000616170465	555277704	/nfs/dbraw/zinc/27/77/04/555277704.db2.gz	HTLXBRPKKQFUKC-UHFFFAOYSA-N	1	0	360.483	1.770	20	30		FDEDRO
COC1CC[NH+](CCNS(=O)(=O)Cc2ccc(C#N)cc2F)CC1	ZINC000616423044	555302675	/nfs/dbraw/zinc/30/26/75/555302675.db2.gz	ISMZXPVDHNEHSB-UHFFFAOYSA-N	1	0	355.435	1.228	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1	ZINC000617357069	555424559	/nfs/dbraw/zinc/42/45/59/555424559.db2.gz	WTJCLPAJQMUDIM-HNNXBMFYSA-N	1	0	365.499	1.754	20	30		FDEDRO
C[NH+]1CCN(CCCCNS(=O)(=O)c2cccc(CC#N)c2)CC1	ZINC000619476088	555783523	/nfs/dbraw/zinc/78/35/23/555783523.db2.gz	CKJLTMKILYKNCY-UHFFFAOYSA-N	1	0	350.488	1.059	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2cccc(CC#N)c2)CC1	ZINC000619491204	555787483	/nfs/dbraw/zinc/78/74/83/555787483.db2.gz	RPNOUPHPWKKLFD-UHFFFAOYSA-N	1	0	351.472	1.266	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C[C@@]2(CCCOC2)O1	ZINC000619517030	555793594	/nfs/dbraw/zinc/79/35/94/555793594.db2.gz	BMNJRNQVBMMLKL-IMFGXOCKSA-N	1	0	360.454	1.762	20	30		FDEDRO
C=CCn1c(-c2cc[nH]n2)nnc1N1CCC(C)([NH+]2CCOCC2)CC1	ZINC000624841015	556652821	/nfs/dbraw/zinc/65/28/21/556652821.db2.gz	SPZOSMFFEFCBMC-UHFFFAOYSA-N	1	0	357.462	1.545	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1	ZINC000625457805	556813227	/nfs/dbraw/zinc/81/32/27/556813227.db2.gz	QITXDBNCXDXNIE-OALUTQOASA-N	1	0	352.434	1.673	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000625525627	556841247	/nfs/dbraw/zinc/84/12/47/556841247.db2.gz	JDZBTAGFYWRYGW-MRXNPFEDSA-N	1	0	351.491	1.276	20	30		FDEDRO
C=CC[C@H]1CC[N@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1	ZINC000625701801	556906364	/nfs/dbraw/zinc/90/63/64/556906364.db2.gz	BHBPYKXCROMUQX-SFHVURJKSA-N	1	0	371.481	1.673	20	30		FDEDRO
O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N[C@@H]1CC[NH2+]C12CCC2	ZINC000626850036	557195197	/nfs/dbraw/zinc/19/51/97/557195197.db2.gz	MOXAEUHEFIOYLQ-LJQANCHMSA-N	1	0	374.444	1.821	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)cc1	ZINC000626909704	557225660	/nfs/dbraw/zinc/22/56/60/557225660.db2.gz	QSRSOBZCCRKMEF-WMLDXEAASA-N	1	0	370.453	1.306	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1	ZINC000632516727	558169300	/nfs/dbraw/zinc/16/93/00/558169300.db2.gz	ARFYECUCKTWOHX-UHFFFAOYSA-N	1	0	352.523	1.191	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)cc1	ZINC000634754466	558521265	/nfs/dbraw/zinc/52/12/65/558521265.db2.gz	CDEGTDKWKMOQJD-HNNXBMFYSA-N	1	0	365.499	1.659	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1C[C@H](O)CN1c1ccncn1)C(C)C	ZINC000635558497	558724230	/nfs/dbraw/zinc/72/42/30/558724230.db2.gz	ABMZQTIHVYRALG-RCCFBDPRSA-N	1	0	373.501	1.231	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1	ZINC000669178572	568273590	/nfs/dbraw/zinc/27/35/90/568273590.db2.gz	GGIQYKGJONRIQP-UHFFFAOYSA-N	1	0	360.458	1.123	20	30		FDEDRO
N#Cc1cccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c1	ZINC000737730430	598467212	/nfs/dbraw/zinc/46/72/12/598467212.db2.gz	KWEGDYFUOLLYIL-UHFFFAOYSA-N	1	0	360.425	1.892	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)NCc1ccc(C[NH+](CC)CC)cc1	ZINC000272839937	674479873	/nfs/dbraw/zinc/47/98/73/674479873.db2.gz	MOCDCEDRCBKKKG-UHFFFAOYSA-N	1	0	367.515	1.928	20	30		FDEDRO
N#Cc1cc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)ccn1	ZINC000826383816	607478447	/nfs/dbraw/zinc/47/84/47/607478447.db2.gz	RMOPOKGLZQRMTI-UHFFFAOYSA-N	1	0	374.452	1.841	20	30		FDEDRO
N#Cc1cccc(C2([NH2+]CC(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)c1	ZINC000826386893	608529987	/nfs/dbraw/zinc/52/99/87/608529987.db2.gz	XKDCBPGYJLGCNY-UHFFFAOYSA-N	1	0	359.393	1.956	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1c[nH]c(C#N)c1	ZINC000825866106	609196685	/nfs/dbraw/zinc/19/66/85/609196685.db2.gz	RIHNTHAJQNJABK-UHFFFAOYSA-N	1	0	364.413	1.270	20	30		FDEDRO
C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(-c2nn[nH]n2)cc1F	ZINC000824598360	609340912	/nfs/dbraw/zinc/34/09/12/609340912.db2.gz	FEPHSBDKSMPNQR-FQJKJTRHSA-N	1	0	371.376	1.183	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)CC1	ZINC000275134423	674607799	/nfs/dbraw/zinc/60/77/99/674607799.db2.gz	ZGNAWDPJJPWJIW-GFCCVEGCSA-N	1	0	362.396	1.347	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+](CCO)CCCOC)c(OC)c1	ZINC000275460117	674622967	/nfs/dbraw/zinc/62/29/67/674622967.db2.gz	MZOJPWVYOOZFMI-QGZVFWFLSA-N	1	0	353.459	1.494	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2cccnc2C#N)C[C@H]1[NH+]1CCCC1	ZINC000277003113	674829805	/nfs/dbraw/zinc/82/98/05/674829805.db2.gz	IDLNDVGMCSXVGB-ZIAGYGMSSA-N	1	0	352.485	1.154	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cccs3)CC2)CC1	ZINC000286470874	675896332	/nfs/dbraw/zinc/89/63/32/675896332.db2.gz	IQXORAPQLKQEJO-UHFFFAOYSA-N	1	0	362.499	1.163	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(Cl)cc2C#N)CCCO1	ZINC000277825937	675048226	/nfs/dbraw/zinc/04/82/26/675048226.db2.gz	LFWXQYVYDCVCIH-ZDUSSCGKSA-N	1	0	371.890	1.991	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(C)C2CC[NH+](C)CC2)c1	ZINC000046468080	671007660	/nfs/dbraw/zinc/00/76/60/671007660.db2.gz	YXTHAPLUKLFVMB-UHFFFAOYSA-N	1	0	351.472	1.317	20	30		FDEDRO
C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1	ZINC000278757496	675191159	/nfs/dbraw/zinc/19/11/59/675191159.db2.gz	KLUKNMMDHIVQOF-LLVKDONJSA-N	1	0	372.288	1.893	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2ncc(C)s2)CC1	ZINC000286632481	675897795	/nfs/dbraw/zinc/89/77/95/675897795.db2.gz	MMAWTPKRDYCVBQ-ZDUSSCGKSA-N	1	0	350.488	1.785	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2ccc(C)c(S(N)(=O)=O)c2)CC1	ZINC000081355660	671465436	/nfs/dbraw/zinc/46/54/36/671465436.db2.gz	CSDVXFNBMJTLPK-UHFFFAOYSA-N	1	0	351.472	1.413	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)N1CCSCC1)N[C@@H]1CCC[C@@H](C)C1	ZINC000085985707	671482263	/nfs/dbraw/zinc/48/22/63/671482263.db2.gz	YZYAHAJIGCZKPO-ZIAGYGMSSA-N	1	0	362.565	1.109	20	30		FDEDRO
C[NH+]=C(NCC1CCSCC1)N[C@H]1CCCN(c2cnn(C)c2)C1	ZINC000086910427	671484445	/nfs/dbraw/zinc/48/44/45/671484445.db2.gz	NFGFZQLKNQXEDK-HNNXBMFYSA-N	1	0	350.536	1.697	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NC[C@H](O)c3ccco3)=[NH+]C[C@@H]2C1	ZINC000089120452	671491664	/nfs/dbraw/zinc/49/16/64/671491664.db2.gz	COQNRHCJYXCFFN-OLZOCXBDSA-N	1	0	350.419	1.194	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C	ZINC000287064891	675912235	/nfs/dbraw/zinc/91/22/35/675912235.db2.gz	PPVSEBNTBKAHNC-IAGOWNOFSA-N	1	0	351.491	1.440	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)CC1	ZINC000287493796	675917408	/nfs/dbraw/zinc/91/74/08/675917408.db2.gz	ZTJSQRNWVXKAPU-ZDUSSCGKSA-N	1	0	364.471	1.978	20	30		FDEDRO
COCCOCCCCNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1	ZINC000104190988	671595091	/nfs/dbraw/zinc/59/50/91/671595091.db2.gz	ZHALWNNSHKXNIQ-UHFFFAOYSA-N	1	0	352.454	1.706	20	30		FDEDRO
CC[NH+](CC)CCNC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1	ZINC000287682692	675919261	/nfs/dbraw/zinc/91/92/61/675919261.db2.gz	QUBSUJSANOWOKQ-ZDUSSCGKSA-N	1	0	352.460	1.836	20	30		FDEDRO
[NH2+]=C(NCCNS(=O)(=O)c1ccc(Cl)s1)N1CCCCC1	ZINC000130673930	671796586	/nfs/dbraw/zinc/79/65/86/671796586.db2.gz	YBGHPPVBIVTMRA-UHFFFAOYSA-N	1	0	350.897	1.480	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](C)c2c(C)noc2C)CC1	ZINC000130726037	671797255	/nfs/dbraw/zinc/79/72/55/671797255.db2.gz	IHPPUZOKCOKRGU-LLVKDONJSA-N	1	0	351.451	1.920	20	30		FDEDRO
[NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NC[C@@H]1CCCS1(=O)=O	ZINC000153251104	671898561	/nfs/dbraw/zinc/89/85/61/671898561.db2.gz	UNVCCQXQZAVBNQ-LBPRGKRZSA-N	1	0	365.377	1.567	20	30		FDEDRO
[NH2+]=C(NCCN1CCN(c2cccc(Cl)c2)CC1)N1CCOCC1	ZINC000153310382	671899015	/nfs/dbraw/zinc/89/90/15/671899015.db2.gz	OQTWLHDAYQAZKD-UHFFFAOYSA-N	1	0	351.882	1.109	20	30		FDEDRO
C=C(Br)CNC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C	ZINC000176042424	672109683	/nfs/dbraw/zinc/10/96/83/672109683.db2.gz	SHKOCBOKOOHUNE-UHFFFAOYSA-N	1	0	355.236	1.877	20	30		FDEDRO
CC[C@H](CNC(NCCN1CCOCC1)=[NH+]C)Oc1cccc(F)c1	ZINC000176948216	672119528	/nfs/dbraw/zinc/11/95/28/672119528.db2.gz	BJKKICVSTOXUIN-MRXNPFEDSA-N	1	0	352.454	1.480	20	30		FDEDRO
C=CCc1cc(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)c(O)c(OC)c1	ZINC000178847286	672148648	/nfs/dbraw/zinc/14/86/48/672148648.db2.gz	MUSJRNLHKQCHFN-UHFFFAOYSA-N	1	0	354.472	1.597	20	30		FDEDRO
[NH2+]=C(NCc1ccc(N2CCCS2(=O)=O)c(F)c1)N1CCSCC1	ZINC000187046488	672279362	/nfs/dbraw/zinc/27/93/62/672279362.db2.gz	AKCGPZVJQFWPHI-UHFFFAOYSA-N	1	0	372.491	1.229	20	30		FDEDRO
C#CCSCCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000190466589	672327072	/nfs/dbraw/zinc/32/70/72/672327072.db2.gz	BKGKXZKAYGURSJ-SFHVURJKSA-N	1	0	361.511	1.943	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C#Cc1ccc(C(F)(F)F)cc1	ZINC000191427509	672342801	/nfs/dbraw/zinc/34/28/01/672342801.db2.gz	PKAVGDCGIZMDEG-AWEZNQCLSA-N	1	0	353.388	1.809	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCCCn2cc(Br)cn2)CC1	ZINC000288583557	676025744	/nfs/dbraw/zinc/02/57/44/676025744.db2.gz	KYNKVKHHEJZMMN-UHFFFAOYSA-N	1	0	353.264	1.497	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2NS(C)(=O)=O)cc1	ZINC000247489284	672526871	/nfs/dbraw/zinc/52/68/71/672526871.db2.gz	WTLIEWMHNIWUOI-UKPHBRMFSA-N	1	0	351.472	1.785	20	30		FDEDRO
C[NH+]=C(NCc1cccc(Cl)c1)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261615380	672635969	/nfs/dbraw/zinc/63/59/69/672635969.db2.gz	ARXKGDVDXALKEI-UHFFFAOYSA-N	1	0	360.849	1.498	20	30		FDEDRO
C[NH+]=C(NCc1cccc(NS(C)(=O)=O)c1)N(C)C[C@@H]1CCOC1	ZINC000261729436	672660189	/nfs/dbraw/zinc/66/01/89/672660189.db2.gz	XWSJMIXBLOYKDG-AWEZNQCLSA-N	1	0	354.476	1.102	20	30		FDEDRO
C[NH+]=C(NCC(=O)Nc1ccc(F)c(F)c1F)N(C)Cc1ccon1	ZINC000261743871	672663104	/nfs/dbraw/zinc/66/31/04/672663104.db2.gz	KYRSHBANKXUZQX-UHFFFAOYSA-N	1	0	355.320	1.738	20	30		FDEDRO
CC[NH+]=C(NCCC(C)(C)C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1	ZINC000261773389	672669804	/nfs/dbraw/zinc/66/98/04/672669804.db2.gz	OGORTUOHBTUFIR-SFHVURJKSA-N	1	0	351.495	1.698	20	30		FDEDRO
CNC(=O)C(C)(C)CNC(=[NH+]C)N(C)Cc1cc(Br)cn1C	ZINC000261775944	672670334	/nfs/dbraw/zinc/67/03/34/672670334.db2.gz	OQLSXZWOBABUSR-UHFFFAOYSA-N	1	0	372.311	1.567	20	30		FDEDRO
C[NH+]=C(NCCc1csc(C)n1)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000261808510	672675526	/nfs/dbraw/zinc/67/55/26/672675526.db2.gz	SKWAVWLRIKFOPP-HNNXBMFYSA-N	1	0	351.520	1.224	20	30		FDEDRO
C[NH+]=C(NCC(=O)N1CCCCC1)N1CCN([C@@H](C)C(F)(F)F)CC1	ZINC000261881457	672687868	/nfs/dbraw/zinc/68/78/68/672687868.db2.gz	PENYRSHDKWAOCF-ZDUSSCGKSA-N	1	0	363.428	1.143	20	30		FDEDRO
CC[NH+]=C(NCc1cc(F)ccc1F)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261935779	672697331	/nfs/dbraw/zinc/69/73/31/672697331.db2.gz	CJQDGLDNMIRHMU-UHFFFAOYSA-N	1	0	359.442	1.939	20	30		FDEDRO
CCCOc1ccc(CNC(=[NH+]C)N2CCS(=O)(=O)C(C)(C)C2)cn1	ZINC000261944283	672698763	/nfs/dbraw/zinc/69/87/63/672698763.db2.gz	FHRXPDSKUWDNIQ-UHFFFAOYSA-N	1	0	368.503	1.455	20	30		FDEDRO
CN(C)C(=[NH+]Cc1cccc(S(=O)(=O)N2CCCCC2)c1)N(C)C	ZINC000261976283	672705424	/nfs/dbraw/zinc/70/54/24/672705424.db2.gz	GDHCPYFLNFTDTK-UHFFFAOYSA-N	1	0	352.504	1.840	20	30		FDEDRO
CN(C)C(=[NH+]CC(=O)N1CCN(c2ccc(Cl)cc2)CC1)N(C)C	ZINC000261977057	672705726	/nfs/dbraw/zinc/70/57/26/672705726.db2.gz	GNMBQVQVGCGIAL-UHFFFAOYSA-N	1	0	351.882	1.468	20	30		FDEDRO
CC[NH+]=C(NCc1cccnc1OCC)N1CCS(=O)(=O)C(C)(C)C1	ZINC000262001741	672709725	/nfs/dbraw/zinc/70/97/25/672709725.db2.gz	ULOMTGAIHFZBIH-UHFFFAOYSA-N	1	0	368.503	1.455	20	30		FDEDRO
[NH2+]=C(NCC1CCC1)NCC1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000262011215	672711402	/nfs/dbraw/zinc/71/14/02/672711402.db2.gz	UGTCLVWOIWAIRE-UHFFFAOYSA-N	1	0	364.515	1.792	20	30		FDEDRO
C=CC[NH+]=C(NCc1nnc(C)n1C)N1CCN(c2cccs2)CC1	ZINC000262024371	672714048	/nfs/dbraw/zinc/71/40/48/672714048.db2.gz	ZKTRAIYWBXAERV-UHFFFAOYSA-N	1	0	359.503	1.639	20	30		FDEDRO
O=S1(=O)CC[C@H](C[NH+]=C(NCc2cccs2)N2CCC(O)CC2)C1	ZINC000262265018	672757935	/nfs/dbraw/zinc/75/79/35/672757935.db2.gz	SWIQKLCJXJLTJS-CYBMUJFWSA-N	1	0	371.528	1.085	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)=[NH+]C1CCCC1	ZINC000262276991	672760385	/nfs/dbraw/zinc/76/03/85/672760385.db2.gz	IENJNWBNSKREAC-USXIJHARSA-N	1	0	350.507	1.756	20	30		FDEDRO
C[NH+]=C(NCC(=O)N(C)C)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1	ZINC000262332492	672771843	/nfs/dbraw/zinc/77/18/43/672771843.db2.gz	VKOGBEQWNOJZNI-NSHDSACASA-N	1	0	355.845	1.311	20	30		FDEDRO
CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCc2cc(F)ccc2C1	ZINC000262340887	672773503	/nfs/dbraw/zinc/77/35/03/672773503.db2.gz	CPCBRBVLKGZXMP-AWEZNQCLSA-N	1	0	367.490	1.974	20	30		FDEDRO
CC(C)(C)[C@@H]1C[C@H](NC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)CCO1	ZINC000262345657	672774247	/nfs/dbraw/zinc/77/42/47/672774247.db2.gz	DFSCZOWEQDURKR-BMFZPTHFSA-N	1	0	371.547	1.712	20	30		FDEDRO
C=CCNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](N2CCCCC2)C1	ZINC000262376559	672779127	/nfs/dbraw/zinc/77/91/27/672779127.db2.gz	JQSBVJTZYXEEOW-IRXDYDNUSA-N	1	0	368.547	1.113	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(=[NH+]C2CC2)N2CC[C@@H](C3CCOCC3)C2)C1	ZINC000262381830	672780124	/nfs/dbraw/zinc/78/01/24/672780124.db2.gz	KPDCAAREVMGKOD-GDBMZVCRSA-N	1	0	369.531	1.278	20	30		FDEDRO
C[NH+]=C(NC[C@]1(O)CCSC1)N1CCN(c2ccccc2F)CC1	ZINC000262389121	672781539	/nfs/dbraw/zinc/78/15/39/672781539.db2.gz	LTTOHDKUMZTUBX-QGZVFWFLSA-N	1	0	352.479	1.391	20	30		FDEDRO
CN(Cc1cccn1C)C(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CCCC1	ZINC000262409687	672785171	/nfs/dbraw/zinc/78/51/71/672785171.db2.gz	PBELZUPFOUBORY-OAHLLOKOSA-N	1	0	366.531	1.780	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1	ZINC000262432226	672788596	/nfs/dbraw/zinc/78/85/96/672788596.db2.gz	SQFWTNCCPROPIZ-NPJQDHAYSA-N	1	0	350.507	1.612	20	30		FDEDRO
[NH2+]=C(NC[C@H]1CCS(=O)(=O)C1)Nc1ccccc1OC(F)(F)F	ZINC000262436327	672789273	/nfs/dbraw/zinc/78/92/73/672789273.db2.gz	CGMKERSCMHQCOZ-SECBINFHSA-N	1	0	351.350	1.747	20	30		FDEDRO
CN(Cc1cc(Cl)cn1C)C(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CC1	ZINC000262471490	672795017	/nfs/dbraw/zinc/79/50/17/672795017.db2.gz	ZBUFEQGROXFIAG-GFCCVEGCSA-N	1	0	372.922	1.653	20	30		FDEDRO
[NH2+]=C(NC[C@@H]1CCCS1(=O)=O)NC1CCN(Cc2ccccc2)CC1	ZINC000262492300	672798362	/nfs/dbraw/zinc/79/83/62/672798362.db2.gz	VGVZLPMXILDHEH-KRWDZBQOSA-N	1	0	364.515	1.133	20	30		FDEDRO
C#CCNC(NCc1cc(Br)c2c(c1)OCCO2)=[NH+]CC	ZINC000262605916	672816561	/nfs/dbraw/zinc/81/65/61/672816561.db2.gz	GJYKCLGYCHLQFH-UHFFFAOYSA-N	1	0	352.232	1.909	20	30		FDEDRO
CC(C)NC(=[NH2+])NCCNS(=O)(=O)c1cccc(Cl)c1Cl	ZINC000262657703	672826685	/nfs/dbraw/zinc/82/66/85/672826685.db2.gz	LZPKESMGYOEGRO-UHFFFAOYSA-N	1	0	353.275	1.584	20	30		FDEDRO
C[NH+]=C(NCCOCC1CC1)N1CCS(=O)(=O)C2(CCCCC2)C1	ZINC000262752349	672841579	/nfs/dbraw/zinc/84/15/79/672841579.db2.gz	ABBARYNGVSLVGK-UHFFFAOYSA-N	1	0	357.520	1.422	20	30		FDEDRO
[NH2+]=C(NCCNS(=O)(=O)c1ccc(F)cc1F)N1CCCCCC1	ZINC000262778897	672848391	/nfs/dbraw/zinc/84/83/91/672848391.db2.gz	KJAXNUCIUHKJGP-UHFFFAOYSA-N	1	0	360.430	1.434	20	30		FDEDRO
CC[NH+]=C(NCCNC(=O)c1ccc(O)cc1)N1CCSC(C)(C)C1	ZINC000262820816	672851517	/nfs/dbraw/zinc/85/15/17/672851517.db2.gz	PQNGOCISGFGPCD-UHFFFAOYSA-N	1	0	364.515	1.915	20	30		FDEDRO
CCOCCC[NH+]=C(NCCS(C)(=O)=O)NCc1ccc(OC)cc1	ZINC000263988262	672896438	/nfs/dbraw/zinc/89/64/38/672896438.db2.gz	UUUJUOCXOFYPDF-UHFFFAOYSA-N	1	0	371.503	1.202	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NC[C@@H](c1ccccc1Cl)N1CCOCC1	ZINC000264091594	672901168	/nfs/dbraw/zinc/90/11/68/672901168.db2.gz	LCCANWRGPJWQNR-BBRMVZONSA-N	1	0	354.882	1.653	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(C(=O)c2cc(Cl)ccc2OC)CC1	ZINC000264224270	672904366	/nfs/dbraw/zinc/90/43/66/672904366.db2.gz	YWGMTBJFOALCLE-UHFFFAOYSA-N	1	0	363.845	1.246	20	30		FDEDRO
COc1ccc(C[NH2+]CCOCCS(C)(=O)=O)cc1OCCCC#N	ZINC000266150713	673064960	/nfs/dbraw/zinc/06/49/60/673064960.db2.gz	KHBCHYPZGQWGLI-UHFFFAOYSA-N	1	0	370.471	1.529	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2sccc2C(=O)OC)CC1	ZINC000266755884	673188780	/nfs/dbraw/zinc/18/87/80/673188780.db2.gz	SHICEGZCYVTNAG-UHFFFAOYSA-N	1	0	351.428	1.240	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1	ZINC000289328999	676120983	/nfs/dbraw/zinc/12/09/83/676120983.db2.gz	VJKHVVXXIYJTOB-GOSISDBHSA-N	1	0	363.483	1.367	20	30		FDEDRO
CN(Cc1ccccc1Br)C(=O)CCNC(=[NH2+])NC1CC1	ZINC000267399922	673299562	/nfs/dbraw/zinc/29/95/62/673299562.db2.gz	FTMUQKVMGDENLI-UHFFFAOYSA-N	1	0	353.264	1.864	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C	ZINC000281856567	675569247	/nfs/dbraw/zinc/56/92/47/675569247.db2.gz	BOEPTUSCQXLSSU-NVXWUHKLSA-N	1	0	368.503	1.374	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1	ZINC000282427236	675628865	/nfs/dbraw/zinc/62/88/65/675628865.db2.gz	CCJVDMUSUZULNE-NVXWUHKLSA-N	1	0	350.488	1.892	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1	ZINC000282588824	675636943	/nfs/dbraw/zinc/63/69/43/675636943.db2.gz	HPTYDJGFWIBAPW-WMZOPIPTSA-N	1	0	364.515	1.477	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NCc1ccc(OCCC[NH+](C)C)cc1	ZINC000282644794	675638111	/nfs/dbraw/zinc/63/81/11/675638111.db2.gz	LOVPMSDJVPNHLQ-HNNXBMFYSA-N	1	0	368.503	1.443	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N(CC[NH+](C)C)Cc1ccccc1F	ZINC000282976712	675645006	/nfs/dbraw/zinc/64/50/06/675645006.db2.gz	XCVMDTLABTVVQX-AWEZNQCLSA-N	1	0	356.467	1.526	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NC[C@H](c1ccco1)[NH+](CC)CC	ZINC000284893545	675760387	/nfs/dbraw/zinc/76/03/87/675760387.db2.gz	HFSIGEQWYGQNMH-OAHLLOKOSA-N	1	0	351.447	1.488	20	30		FDEDRO
CCC[C@@H](C)C(=O)NCCNC(=[NH2+])NCc1ccc(OC)c(OC)c1	ZINC000292270212	676292777	/nfs/dbraw/zinc/29/27/77/676292777.db2.gz	GUZVYLHDGYMWJU-CYBMUJFWSA-N	1	0	350.463	1.661	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1F	ZINC000293479049	676352473	/nfs/dbraw/zinc/35/24/73/676352473.db2.gz	RCUYOUOJVTYQFM-UKRRQHHQSA-N	1	0	367.446	1.114	20	30		FDEDRO
C[C@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)CN1CC[NH+](C)CC1	ZINC000294267941	676380717	/nfs/dbraw/zinc/38/07/17/676380717.db2.gz	RMZKOQUSGXBAJV-CQSZACIVSA-N	1	0	368.478	1.000	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1CNS(=O)(=O)CC(C)(C)CC#N	ZINC000295615403	676408084	/nfs/dbraw/zinc/40/80/84/676408084.db2.gz	DMGGXIPXLZSIRZ-UHFFFAOYSA-N	1	0	353.488	1.986	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCCNC(=O)c1ccccc1Cl	ZINC000297062440	676422942	/nfs/dbraw/zinc/42/29/42/676422942.db2.gz	YCTCSVLJUYVVST-UHFFFAOYSA-N	1	0	350.850	1.324	20	30		FDEDRO
CCOCCCNC(=[NH2+])NCc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000303865065	676543302	/nfs/dbraw/zinc/54/33/02/676543302.db2.gz	BNXDFTSOZDJBKJ-UHFFFAOYSA-N	1	0	368.503	1.302	20	30		FDEDRO
CC(C)(CNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1)S(C)(=O)=O	ZINC000304753467	676544431	/nfs/dbraw/zinc/54/44/31/676544431.db2.gz	YJPJXABYPYRQTC-UHFFFAOYSA-N	1	0	372.922	1.600	20	30		FDEDRO
C[C@H](C(=O)NCCS(=O)(=O)N1CCSCC1)[N@H+]1[C@H](C)CC[C@@H]1C	ZINC000328804072	676607650	/nfs/dbraw/zinc/60/76/50/676607650.db2.gz	LMHVCUGDYKAJHG-HZSPNIEDSA-N	1	0	363.549	1.583	20	30		FDEDRO
C[C@H](Sc1nncn1C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1	ZINC000328862179	676610055	/nfs/dbraw/zinc/61/00/55/676610055.db2.gz	ZNRPODYPYIUZTN-LBPRGKRZSA-N	1	0	361.475	1.731	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000328908514	676611656	/nfs/dbraw/zinc/61/16/56/676611656.db2.gz	MDSNEDADDZPHGK-HNNXBMFYSA-N	1	0	364.471	1.620	20	30		FDEDRO
Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000328904879	676611709	/nfs/dbraw/zinc/61/17/09/676611709.db2.gz	AKFHGBZVGJGJBU-IACUBPJLSA-N	1	0	370.475	1.542	20	30		FDEDRO
C[C@@H]1Cc2cc(C(=O)NCC[N@H+]3CC=CCC3)ccc2N1S(C)(=O)=O	ZINC000328997953	676615307	/nfs/dbraw/zinc/61/53/07/676615307.db2.gz	KJUOKYUDEHXAMY-CQSZACIVSA-N	1	0	363.483	1.964	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)C1	ZINC000329047950	676617320	/nfs/dbraw/zinc/61/73/20/676617320.db2.gz	KAUFCKUGUIMVBV-XDNAFOTISA-N	1	0	353.507	1.740	20	30		FDEDRO
C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1C(=O)NC1CC[NH+](C2CC2)CC1	ZINC000329072665	676618419	/nfs/dbraw/zinc/61/84/19/676618419.db2.gz	ZQPZAOIHIYJNPC-AOIWGVFYSA-N	1	0	351.491	1.779	20	30		FDEDRO
Cc1noc([C@@H]2CN(C(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)CCN2C)n1	ZINC000329076317	676618748	/nfs/dbraw/zinc/61/87/48/676618748.db2.gz	PSTUWHJRIRSWSW-ILXRZTDVSA-N	1	0	350.467	1.453	20	30		FDEDRO
CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)N(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1	ZINC000329082526	676619086	/nfs/dbraw/zinc/61/90/86/676619086.db2.gz	SETFYMNVLLOWJF-TUVASFSCSA-N	1	0	350.467	1.662	20	30		FDEDRO
C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1nc(CN2CCOCC2)cs1	ZINC000329117047	676620945	/nfs/dbraw/zinc/62/09/45/676620945.db2.gz	UHKZBEXRWZDGPN-DZGCQCFKSA-N	1	0	365.503	1.689	20	30		FDEDRO
C[C@@H](C(=O)Nc1nccs1)N1CCC[C@](O)(C(=O)N2CCCC2)C1	ZINC000329147275	676622567	/nfs/dbraw/zinc/62/25/67/676622567.db2.gz	XSJHSMZOVSADBB-BLLLJJGKSA-N	1	0	352.460	1.569	20	30		FDEDRO
CNc1snc(C)c1C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1	ZINC000329151683	676622814	/nfs/dbraw/zinc/62/28/14/676622814.db2.gz	AYJPKJDREDVVGY-LBPRGKRZSA-N	1	0	351.476	1.493	20	30		FDEDRO
C[C@@H]1Cc2cc(C(=O)NC[C@H]3CC[N@H+](C)C3)ccc2N1S(C)(=O)=O	ZINC000329171425	676623510	/nfs/dbraw/zinc/62/35/10/676623510.db2.gz	KMZVDVLTJFYPFP-CHWSQXEVSA-N	1	0	351.472	1.654	20	30		FDEDRO
C[NH+]1CCN(Cc2cccc(NC(=O)[C@H]3CCS(=O)(=O)C3)c2)CC1	ZINC000329169685	676623546	/nfs/dbraw/zinc/62/35/46/676623546.db2.gz	JFPSMUYTSYOUPF-HNNXBMFYSA-N	1	0	351.472	1.457	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)CNC(=O)C3CCCCC3)C2)CC1	ZINC000329193931	676624480	/nfs/dbraw/zinc/62/44/80/676624480.db2.gz	UJUJALFDZKMXIT-KRWDZBQOSA-N	1	0	350.507	1.762	20	30		FDEDRO
C[C@H](NC(=O)CN1C[C@H]([NH+]2CCCC2)C[C@@H]1C)C(=O)N1CCCCC1	ZINC000329211127	676625485	/nfs/dbraw/zinc/62/54/85/676625485.db2.gz	ZWMHYCRTVBNOSG-YESZJQIVSA-N	1	0	350.507	1.903	20	30		FDEDRO
NC(=O)[C@]1(O)CCN(CC(=O)Nc2nc(CN3CCCC3)cs2)C1	ZINC000329212418	676625604	/nfs/dbraw/zinc/62/56/04/676625604.db2.gz	ZWHMRCJMWHGEQK-HNNXBMFYSA-N	1	0	353.448	1.299	20	30		FDEDRO
C[C@H](CNC(=O)N1CC[C@H](C(=O)N2CCCC2)C1)C[NH+]1CCCCC1	ZINC000329236014	676627411	/nfs/dbraw/zinc/62/74/11/676627411.db2.gz	NZCLRGYZKVLIOA-SJORKVTESA-N	1	0	350.507	1.967	20	30		FDEDRO
CC[C@@H]1CN(C(=O)NCCC2CC[NH+](CC)CC2)C[C@@H](C)S1(=O)=O	ZINC000329245352	676628350	/nfs/dbraw/zinc/62/83/50/676628350.db2.gz	VDISOBPTDLFJFI-GDBMZVCRSA-N	1	0	359.536	1.920	20	30		FDEDRO
CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1	ZINC000329284510	676631017	/nfs/dbraw/zinc/63/10/17/676631017.db2.gz	ONEKBRCEYDYXNR-IIAWOOMASA-N	1	0	372.535	1.175	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)CSCc3ccncc3)CC2)C1=O	ZINC000329349312	676634491	/nfs/dbraw/zinc/63/44/91/676634491.db2.gz	WJULBHVOHZXMPX-INIZCTEOSA-N	1	0	362.499	1.966	20	30		FDEDRO
CN(CC[NH+]1CCCC1)C(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000329360897	676635178	/nfs/dbraw/zinc/63/51/78/676635178.db2.gz	YELBTVWADOPGHK-INIZCTEOSA-N	1	0	351.495	1.608	20	30		FDEDRO
O=C(Nc1nc(CN2CCOCC2)cs1)N1CC[N@@H+]2CCC[C@@H]2C1	ZINC000329363342	676635294	/nfs/dbraw/zinc/63/52/94/676635294.db2.gz	JDPYEQKBUXWLAI-CQSZACIVSA-N	1	0	351.476	1.301	20	30		FDEDRO
Cc1nc([C@@H]2CCCN2C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)no1	ZINC000329411848	676637597	/nfs/dbraw/zinc/63/75/97/676637597.db2.gz	YEZDUESHTTXACP-ZFWWWQNUSA-N	1	0	350.467	1.312	20	30		FDEDRO
Cc1noc([C@@H]2CCCCN2C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)n1	ZINC000329442330	676638825	/nfs/dbraw/zinc/63/88/25/676638825.db2.gz	NERSAXHKGXFDQP-ZFWWWQNUSA-N	1	0	350.467	1.455	20	30		FDEDRO
Cc1c(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)cnn1C1CCOCC1	ZINC000329468753	676640048	/nfs/dbraw/zinc/64/00/48/676640048.db2.gz	XBGSNHWMZSATSE-OAHLLOKOSA-N	1	0	350.463	1.694	20	30		FDEDRO
C[NH+]1CCC(N2CCC(NC(=O)C3(S(C)(=O)=O)CCCC3)CC2)CC1	ZINC000329472582	676640284	/nfs/dbraw/zinc/64/02/84/676640284.db2.gz	AHTJIIOCTZHBDP-UHFFFAOYSA-N	1	0	371.547	1.859	20	30		FDEDRO
Cc1noc([C@H](NC(=O)N2CCC[C@H]([NH+](C)C)C2)C2CCOCC2)n1	ZINC000329476603	676640472	/nfs/dbraw/zinc/64/04/72/676640472.db2.gz	BOSXNVRFEDCXRF-LSDHHAIUSA-N	1	0	351.451	1.786	20	30		FDEDRO
C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1	ZINC000329676009	676648896	/nfs/dbraw/zinc/64/88/96/676648896.db2.gz	PINOSSWVEWEGEF-XESHVACXSA-N	1	0	370.563	1.300	20	30		FDEDRO
C[C@H](NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000329700273	676650372	/nfs/dbraw/zinc/65/03/72/676650372.db2.gz	GNWOKKYBSRTXGQ-ZMSDIMECSA-N	1	0	371.547	1.715	20	30		FDEDRO
C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1	ZINC000329721818	676651748	/nfs/dbraw/zinc/65/17/48/676651748.db2.gz	FBOITDSOMUWGQF-IETPZCKNSA-N	1	0	350.463	1.735	20	30		FDEDRO
C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC1CCN(S(C)(=O)=O)CC1	ZINC000329790163	676656453	/nfs/dbraw/zinc/65/64/53/676656453.db2.gz	SVVPVXJQGVBBPP-CQSZACIVSA-N	1	0	374.551	1.234	20	30		FDEDRO
CC(C)(C)c1nnc(CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)s1	ZINC000329844120	676660477	/nfs/dbraw/zinc/66/04/77/676660477.db2.gz	PRUOCLOFWKEKBO-ZDUSSCGKSA-N	1	0	367.519	1.904	20	30		FDEDRO
C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000329964512	676665805	/nfs/dbraw/zinc/66/58/05/676665805.db2.gz	QPSLCZFYWXZFIE-DYOFOFBJSA-N	1	0	371.547	1.510	20	30		FDEDRO
C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000329964511	676665883	/nfs/dbraw/zinc/66/58/83/676665883.db2.gz	QPSLCZFYWXZFIE-BFSZRXAWSA-N	1	0	371.547	1.510	20	30		FDEDRO
CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2nc(CN3CCOCC3)cs2)C1	ZINC000330131427	676674624	/nfs/dbraw/zinc/67/46/24/676674624.db2.gz	KXXYXQIVOGMMLU-CQSZACIVSA-N	1	0	367.519	1.794	20	30		FDEDRO
Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@H]2CCC[C@H]2C#N)CC1	ZINC000330148878	676675140	/nfs/dbraw/zinc/67/51/40/676675140.db2.gz	JTANVJODNYLGME-ZFWWWQNUSA-N	1	0	351.476	1.462	20	30		FDEDRO
CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1	ZINC000330183019	676677039	/nfs/dbraw/zinc/67/70/39/676677039.db2.gz	PKUPXPMQOBMISG-CABCVRRESA-N	1	0	360.524	1.131	20	30		FDEDRO
CC(C)[C@@H]1OCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000330182453	676677059	/nfs/dbraw/zinc/67/70/59/676677059.db2.gz	OZFGHDBNARJOOG-BGTYHANMSA-N	1	0	353.507	1.929	20	30		FDEDRO
Cc1nsc(N2CCCN(C([O-])=[NH+][C@H]3CCn4ccnc4C3)CC2)n1	ZINC000330185666	676677335	/nfs/dbraw/zinc/67/73/35/676677335.db2.gz	JGTXXOWLOFDDON-ZDUSSCGKSA-N	1	0	361.475	1.484	20	30		FDEDRO
O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CC[C@H](O)C12CCCC2	ZINC000330327680	676684222	/nfs/dbraw/zinc/68/42/22/676684222.db2.gz	LBTRALIYSMXYCO-RDJZCZTQSA-N	1	0	351.491	1.781	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[S@](=O)C[C@H](C)C2)C1	ZINC000330339333	676684822	/nfs/dbraw/zinc/68/48/22/676684822.db2.gz	WNPZTXNDKYXEJB-JOWJHRDDSA-N	1	0	359.536	1.000	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCC[NH+](C)C)c2)C[C@H](C)O1	ZINC000330481255	676692931	/nfs/dbraw/zinc/69/29/31/676692931.db2.gz	PBSLTQVEMSSOIO-OKILXGFUSA-N	1	0	369.487	1.351	20	30		FDEDRO
COC(=O)[C@@H]1CN(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1	ZINC000330589789	676697401	/nfs/dbraw/zinc/69/74/01/676697401.db2.gz	PPZZOALCMMNROZ-ZNMIVQPWSA-N	1	0	355.479	1.531	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H]2CCCCN2S(=O)(=O)CCC)CC1	ZINC000330638952	676699091	/nfs/dbraw/zinc/69/90/91/676699091.db2.gz	BYQSIRGGOVYWQL-MRXNPFEDSA-N	1	0	357.520	1.347	20	30		FDEDRO
CC(=O)Nc1ccc(NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)c(Cl)c1	ZINC000330698847	676701101	/nfs/dbraw/zinc/70/11/01/676701101.db2.gz	FCNKOEILQJRDKZ-ZDUSSCGKSA-N	1	0	353.854	1.870	20	30		FDEDRO
Cc1oc(S(N)(=O)=O)cc1C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000330701038	676701232	/nfs/dbraw/zinc/70/12/32/676701232.db2.gz	IXWYESIFUVSNGB-TXEJJXNPSA-N	1	0	357.476	1.908	20	30		FDEDRO
CS[C@H]1CN(C(=O)Nc2cnn(CC(F)(F)F)c2)C[C@@H]1[NH+](C)C	ZINC000330703318	676701425	/nfs/dbraw/zinc/70/14/25/676701425.db2.gz	IXMQIVRCTXOSMU-QWRGUYRKSA-N	1	0	351.398	1.968	20	30		FDEDRO
CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCC(N(C)S(C)(=O)=O)CC1	ZINC000330754847	676702981	/nfs/dbraw/zinc/70/29/81/676702981.db2.gz	JQOHFSLKLVUMAN-OAHLLOKOSA-N	1	0	374.551	1.521	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+](CC2CCOCC2)CC1	ZINC000330836764	676705840	/nfs/dbraw/zinc/70/58/40/676705840.db2.gz	RNJOOUGIBFYJHV-VQIMIIECSA-N	1	0	350.507	1.474	20	30		FDEDRO
CNS(=O)(=O)c1cccc(NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1	ZINC000330883279	676708136	/nfs/dbraw/zinc/70/81/36/676708136.db2.gz	JLYWLOHFQNVZTI-CYBMUJFWSA-N	1	0	368.503	1.802	20	30		FDEDRO
CNS(=O)(=O)c1ccc(NC(=O)N(CC[NH+](C)C)C2CCCC2)nc1	ZINC000331183653	676720623	/nfs/dbraw/zinc/72/06/23/676720623.db2.gz	STLSKOAMLPXMNB-UHFFFAOYSA-N	1	0	369.491	1.341	20	30		FDEDRO
CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1	ZINC000331211772	676722191	/nfs/dbraw/zinc/72/21/91/676722191.db2.gz	JKTAQWFPVKWIGN-OAGGEKHMSA-N	1	0	374.551	1.423	20	30		FDEDRO
CCOC(=O)c1cnc(NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)n1C	ZINC000331247803	676724006	/nfs/dbraw/zinc/72/40/06/676724006.db2.gz	WHHCTPGTHGVJHX-LBPRGKRZSA-N	1	0	351.451	1.804	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N([C@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)C1=O	ZINC000348578441	676786946	/nfs/dbraw/zinc/78/69/46/676786946.db2.gz	WKCOAHOEYZOJOR-JYJNAYRXSA-N	1	0	353.463	1.246	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(OC[C@@H]2CCCCO2)CC1	ZINC000361017317	676881429	/nfs/dbraw/zinc/88/14/29/676881429.db2.gz	GGCPBTYHODEXNT-ZBFHGGJFSA-N	1	0	353.463	1.437	20	30		FDEDRO
CN1CCC[C@]2(CC[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)C1=O	ZINC000364610448	677035085	/nfs/dbraw/zinc/03/50/85/677035085.db2.gz	JWSGMPRGYNTKRN-KBXCAEBGSA-N	1	0	358.467	1.669	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H](CO)OC(C)(C)C1)C(C)C	ZINC000422168624	680695976	/nfs/dbraw/zinc/69/59/76/680695976.db2.gz	KORHAEQSNFSTOX-DLBZAZTESA-N	1	0	353.507	1.866	20	30		FDEDRO
C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NCc2ccc(C#N)s2)CC1	ZINC000422211019	680697646	/nfs/dbraw/zinc/69/76/46/680697646.db2.gz	COUWHLZPWWPSOG-CYBMUJFWSA-N	1	0	350.488	1.854	20	30		FDEDRO
CC[NH+](CC)CCSCC(=O)N1CCC(n2cnc(C#N)n2)CC1	ZINC000366252651	677426306	/nfs/dbraw/zinc/42/63/06/677426306.db2.gz	OLRMVBFQFQFHBA-UHFFFAOYSA-N	1	0	350.492	1.388	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCCC1	ZINC000367124585	677488277	/nfs/dbraw/zinc/48/82/77/677488277.db2.gz	JBYMIXGKRMKLNL-INIZCTEOSA-N	1	0	358.508	1.044	20	30		FDEDRO
C=CCNc1ncc(C(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)s1	ZINC000370778618	677613571	/nfs/dbraw/zinc/61/35/71/677613571.db2.gz	HOSNQAZOTVIDIL-ZIAGYGMSSA-N	1	0	350.488	1.972	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1	ZINC000371683619	677757027	/nfs/dbraw/zinc/75/70/27/677757027.db2.gz	ACNXBPZKUVDELJ-QGZVFWFLSA-N	1	0	371.547	1.741	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1c1cccnc1	ZINC000372431217	677915279	/nfs/dbraw/zinc/91/52/79/677915279.db2.gz	KYYWLTIUNDCVKG-WMZOPIPTSA-N	1	0	356.451	1.925	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1	ZINC000374616314	678088408	/nfs/dbraw/zinc/08/84/08/678088408.db2.gz	YYQSVPZMHORJIA-ZWKOTPCHSA-N	1	0	350.551	1.900	20	30		FDEDRO
N#Cc1ccc(Cl)cc1NC(=O)CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000375799008	678177074	/nfs/dbraw/zinc/17/70/74/678177074.db2.gz	XZGMIVSCAYTYEX-DLBZAZTESA-N	1	0	362.861	1.681	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)ccc1C(F)(F)F	ZINC000376114688	678226727	/nfs/dbraw/zinc/22/67/27/678226727.db2.gz	MMSVEDXXMZSVLE-HZMBPMFUSA-N	1	0	359.373	1.950	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1	ZINC000423025997	680772826	/nfs/dbraw/zinc/77/28/26/680772826.db2.gz	PQOWXDRDGMXTIK-QWHCGFSZSA-N	1	0	367.902	1.984	20	30		FDEDRO
CN(C1CC[NH+](C2CCOCC2)CC1)S(=O)(=O)CCC(C)(C)C#N	ZINC000377902901	678647316	/nfs/dbraw/zinc/64/73/16/678647316.db2.gz	GONYAFUTNDJDIO-UHFFFAOYSA-N	1	0	357.520	1.831	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000409489840	678849842	/nfs/dbraw/zinc/84/98/42/678849842.db2.gz	BWLJLXQEBFTILZ-FUHWJXTLSA-N	1	0	364.515	1.919	20	30		FDEDRO
CC[NH+](CC)[C@@H](CNS(=O)(=O)N(C)C[C@H](C)C#N)Cc1ccccc1	ZINC000409561061	678860062	/nfs/dbraw/zinc/86/00/62/678860062.db2.gz	IVNCMPWBSDEXBK-SJLPKXTDSA-N	1	0	366.531	1.865	20	30		FDEDRO
CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)N(CCC#N)CCOC	ZINC000409590394	678864811	/nfs/dbraw/zinc/86/48/11/678864811.db2.gz	BMHQZUCPYIALDJ-INIZCTEOSA-N	1	0	360.524	1.337	20	30		FDEDRO
C[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000424100347	680829738	/nfs/dbraw/zinc/82/97/38/680829738.db2.gz	KKWLQIGTLOUJPF-IUODEOHRSA-N	1	0	352.460	1.135	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1	ZINC000424103797	680829895	/nfs/dbraw/zinc/82/98/95/680829895.db2.gz	SXSRXIGJRNIYSE-HNNXBMFYSA-N	1	0	350.444	1.335	20	30		FDEDRO
CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)[C@@H]([NH3+])CCCC#N	ZINC000424104408	680829943	/nfs/dbraw/zinc/82/99/43/680829943.db2.gz	ONDDERNTVSIVTQ-AWEZNQCLSA-N	1	0	366.487	1.401	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1	ZINC000424105728	680830047	/nfs/dbraw/zinc/83/00/47/680830047.db2.gz	KIIVQQDQTHNCCM-MRXNPFEDSA-N	1	0	362.861	1.574	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H](O)COc1cccc(C(F)(F)F)c1	ZINC000424107683	680830060	/nfs/dbraw/zinc/83/00/60/680830060.db2.gz	OOASBIYKLHPJPM-TZMCWYRMSA-N	1	0	359.348	1.582	20	30		FDEDRO
CO[C@@](C)([C@@H](C)[NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C1CC1	ZINC000411966909	679137725	/nfs/dbraw/zinc/13/77/25/679137725.db2.gz	HJUYJUHOTRMRHL-AYBZRNKSSA-N	1	0	350.507	1.472	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NCCNC(=O)c1cccc(Br)c1	ZINC000424109873	680830296	/nfs/dbraw/zinc/83/02/96/680830296.db2.gz	BGOPDJLVLXRSPB-CYBMUJFWSA-N	1	0	367.247	1.316	20	30		FDEDRO
C=CC[C@H](CO)C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1	ZINC000414364774	679341987	/nfs/dbraw/zinc/34/19/87/679341987.db2.gz	JHZFSFYFQZZAPX-NSHDSACASA-N	1	0	363.277	1.371	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1	ZINC000414896735	679373155	/nfs/dbraw/zinc/37/31/55/679373155.db2.gz	PTOJMJPPRBFSON-ZIAGYGMSSA-N	1	0	366.487	1.707	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1	ZINC000414898679	679373263	/nfs/dbraw/zinc/37/32/63/679373263.db2.gz	SZWIVXZAZOHCOK-HNNXBMFYSA-N	1	0	368.503	1.988	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H]([NH2+]C)C2)cc1	ZINC000414899756	679373284	/nfs/dbraw/zinc/37/32/84/679373284.db2.gz	VFHUOMBBBLBYMC-AWEZNQCLSA-N	1	0	352.460	1.319	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1	ZINC000414897554	679373306	/nfs/dbraw/zinc/37/33/06/679373306.db2.gz	RNSNFEYJEBPRMD-XJKSGUPXSA-N	1	0	366.487	1.613	20	30		FDEDRO
C[C@@H](C[NH3+])CNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	ZINC000414907898	679373656	/nfs/dbraw/zinc/37/36/56/679373656.db2.gz	DUBQAXATTAXTTP-JTQLQIEISA-N	1	0	362.484	2.418	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000415048034	679378613	/nfs/dbraw/zinc/37/86/13/679378613.db2.gz	BSPYBDPABPZBBY-CQSZACIVSA-N	1	0	355.364	1.824	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC[C@H]1[NH3+]	ZINC000415445997	679432596	/nfs/dbraw/zinc/43/25/96/679432596.db2.gz	PGFABRFYZUVTBW-NOZJJQNGSA-N	1	0	365.231	1.455	20	30		FDEDRO
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@@H](CC[NH3+])C(F)F)n1	ZINC000415458790	679434127	/nfs/dbraw/zinc/43/41/27/679434127.db2.gz	LYNSGSXAQSIGHZ-NSHDSACASA-N	1	0	368.775	2.501	20	30		FDEDRO
C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000415527502	679445247	/nfs/dbraw/zinc/44/52/47/679445247.db2.gz	RFWZDSRULIUDKI-UWVGGRQHSA-N	1	0	354.332	1.711	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1	ZINC000415599456	679462057	/nfs/dbraw/zinc/46/20/57/679462057.db2.gz	MNKZJJLCNALONS-IPYPFGDCSA-N	1	0	364.471	1.963	20	30		FDEDRO
C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000415690221	679480139	/nfs/dbraw/zinc/48/01/39/679480139.db2.gz	LVEIESIPBDDLEX-OAHLLOKOSA-N	1	0	354.332	1.713	20	30		FDEDRO
CN1CC[NH2+]C[C@H]1CNC(=O)Nc1ccc(C#N)c(Br)c1	ZINC000415692875	679480600	/nfs/dbraw/zinc/48/06/00/679480600.db2.gz	MXZZTUYIXIHYER-LBPRGKRZSA-N	1	0	352.236	1.346	20	30		FDEDRO
C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1	ZINC000415693197	679480885	/nfs/dbraw/zinc/48/08/85/679480885.db2.gz	PJMAIBJGMYUSQN-MRXNPFEDSA-N	1	0	352.341	1.295	20	30		FDEDRO
N#CCc1ccc(NC(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)c(Cl)c1	ZINC000415765219	679495661	/nfs/dbraw/zinc/49/56/61/679495661.db2.gz	KECBEXGKPIHCFU-UHFFFAOYSA-N	1	0	360.845	1.947	20	30		FDEDRO
C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000415777147	679498093	/nfs/dbraw/zinc/49/80/93/679498093.db2.gz	BSDDQQFVCFDTJB-IUCAKERBSA-N	1	0	358.320	1.290	20	30		FDEDRO
CC(C)(C)c1csc(NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)c1C#N	ZINC000415843659	679523169	/nfs/dbraw/zinc/52/31/69/679523169.db2.gz	YIRNDGSEYHYZED-LLVKDONJSA-N	1	0	364.471	1.350	20	30		FDEDRO
N#Cc1cccc([C@@H]2CN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CCO2)c1	ZINC000416002386	679542481	/nfs/dbraw/zinc/54/24/81/679542481.db2.gz	DSGVOAPMLYRRLQ-UONOGXRCSA-N	1	0	356.348	1.921	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N(CC[NH+](C)C)Cc1ccsc1	ZINC000416549752	679652098	/nfs/dbraw/zinc/65/20/98/679652098.db2.gz	DJIBCRZRBFYCAZ-AWEZNQCLSA-N	1	0	358.533	1.838	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)C(=O)NCCSCc2ccccc2C#N)CC[NH2+]1	ZINC000418922623	680154096	/nfs/dbraw/zinc/15/40/96/680154096.db2.gz	MUPVTRCRKWIJPP-CJNGLKHVSA-N	1	0	360.483	1.164	20	30		FDEDRO
O=C(NCC#Cc1cccc(C(F)(F)F)c1)C(=O)NC[C@H]1CCC[NH2+]1	ZINC000419107087	680191414	/nfs/dbraw/zinc/19/14/14/680191414.db2.gz	DQPZIFMBDLSOCI-CQSZACIVSA-N	1	0	353.344	1.041	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1Br)[NH+](C)C	ZINC000419633769	680300908	/nfs/dbraw/zinc/30/09/08/680300908.db2.gz	BPUVVEUUZHMVPK-SECBINFHSA-N	1	0	353.220	1.326	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N(C)C1CC[NH2+]CC1)c1ccc(F)c(F)c1	ZINC000419674998	680316293	/nfs/dbraw/zinc/31/62/93/680316293.db2.gz	JUAQHQQUZUUFSY-INIZCTEOSA-N	1	0	351.397	1.909	20	30		FDEDRO
C=C(C)[C@@H](NC(=O)C(=O)NCC[NH2+]CCOC)c1ccc(F)c(F)c1	ZINC000419676389	680316584	/nfs/dbraw/zinc/31/65/84/680316584.db2.gz	LTLWRKPTWZHBLZ-OAHLLOKOSA-N	1	0	355.385	1.050	20	30		FDEDRO
C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1cccc(Br)c1C#N	ZINC000420421704	680444963	/nfs/dbraw/zinc/44/49/63/680444963.db2.gz	FTMDHBRLVVXKFL-BXKDBHETSA-N	1	0	358.261	1.740	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1	ZINC000420453245	680459359	/nfs/dbraw/zinc/45/93/59/680459359.db2.gz	CUAZOQOZTQWOAN-TZMCWYRMSA-N	1	0	364.427	1.619	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c1	ZINC000420476055	680468061	/nfs/dbraw/zinc/46/80/61/680468061.db2.gz	HSKQFJZEFRYFOW-ZFWWWQNUSA-N	1	0	351.472	1.208	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NCC[N@@H+](CC)CCC)c1	ZINC000474179851	685376549	/nfs/dbraw/zinc/37/65/49/685376549.db2.gz	BLDXOCZIICPDJP-UHFFFAOYSA-N	1	0	353.488	1.613	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2ncc(C(=O)OC)s2)CC1	ZINC000425446484	680901792	/nfs/dbraw/zinc/90/17/92/680901792.db2.gz	FCXARJBKVITOQQ-LLVKDONJSA-N	1	0	352.460	1.940	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C	ZINC000425880879	680938750	/nfs/dbraw/zinc/93/87/50/680938750.db2.gz	GRBBKKOJHJSXSG-ULQDDVLXSA-N	1	0	351.491	1.320	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ncc(C#N)cc1Cl	ZINC000428030847	680992591	/nfs/dbraw/zinc/99/25/91/680992591.db2.gz	FMGNCUBEOVTMNA-CQSZACIVSA-N	1	0	363.849	1.279	20	30		FDEDRO
C=C(C)COc1cc(C[NH2+]CCNS(=O)(=O)NC(C)C)ccc1OC	ZINC000428567764	681007052	/nfs/dbraw/zinc/00/70/52/681007052.db2.gz	RUBRDNRJHUGYMU-UHFFFAOYSA-N	1	0	371.503	1.572	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1	ZINC000428884349	681016880	/nfs/dbraw/zinc/01/68/80/681016880.db2.gz	VCEHXQCYCXAYJS-MRXNPFEDSA-N	1	0	365.499	1.707	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CC(=O)N(C(C)C)C1)C(C)C	ZINC000428904947	681017613	/nfs/dbraw/zinc/01/76/13/681017613.db2.gz	IVAKHFWCGLQQOB-IRXDYDNUSA-N	1	0	350.507	1.994	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1	ZINC000430391336	681074852	/nfs/dbraw/zinc/07/48/52/681074852.db2.gz	ZBYMLUUHTOEVCJ-NXOAAHMSSA-N	1	0	351.491	1.320	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1	ZINC000435423746	681592297	/nfs/dbraw/zinc/59/22/97/681592297.db2.gz	WBRSABPQUKRECT-UHFFFAOYSA-N	1	0	364.452	1.534	20	30		FDEDRO
C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000443478506	682305193	/nfs/dbraw/zinc/30/51/93/682305193.db2.gz	ZRDICLRFIWMSKI-JTQLQIEISA-N	1	0	360.277	1.939	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@]2(C[NH3+])CCCC[C@@H]2C)c1	ZINC000448177340	682599812	/nfs/dbraw/zinc/59/98/12/682599812.db2.gz	FHNRALSAGNQNCQ-KBXCAEBGSA-N	1	0	365.499	1.788	20	30		FDEDRO
CCOC(=O)[C@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)CC12COC2	ZINC000451136356	682826417	/nfs/dbraw/zinc/82/64/17/682826417.db2.gz	NLSOEFVNJDWZOW-CYBMUJFWSA-N	1	0	363.439	1.460	20	30		FDEDRO
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(S(=O)(=O)CC(C)(C)CC#N)CC1	ZINC000451142001	682826908	/nfs/dbraw/zinc/82/69/08/682826908.db2.gz	DAXQIYXQJKSMSO-IAGOWNOFSA-N	1	0	370.563	1.746	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NCC[N@H+]2CCCC2(C)C)c1	ZINC000452088628	683022051	/nfs/dbraw/zinc/02/20/51/683022051.db2.gz	OJTGOWAOGLMQCR-UHFFFAOYSA-N	1	0	365.499	1.755	20	30		FDEDRO
CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000453629225	683171394	/nfs/dbraw/zinc/17/13/94/683171394.db2.gz	YMUKRGOSHCDDIU-LBPRGKRZSA-N	1	0	351.838	1.638	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000453675757	683182928	/nfs/dbraw/zinc/18/29/28/683182928.db2.gz	SFOAPXQBMITDNQ-CYBMUJFWSA-N	1	0	363.849	1.782	20	30		FDEDRO
N#Cc1ccc(Cl)c(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2CCO)c1	ZINC000453815201	683219647	/nfs/dbraw/zinc/21/96/47/683219647.db2.gz	GVZUWHKTDKODIK-CYBMUJFWSA-N	1	0	364.833	1.113	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC2CCC(CS(C)(=O)=O)CC2)CC1	ZINC000454467045	683319658	/nfs/dbraw/zinc/31/96/58/683319658.db2.gz	QSOYJDMKGLMBCB-UHFFFAOYSA-N	1	0	371.547	1.930	20	30		FDEDRO
CC(C)C[C@H](NC(=O)N[C@H]1CC[C@@H](CC#N)C1)C(=O)NCC[NH+](C)C	ZINC000459022381	684356944	/nfs/dbraw/zinc/35/69/44/684356944.db2.gz	XVSCZUXNYPMSJF-JYJNAYRXSA-N	1	0	351.495	1.460	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)CN2C[C@@H]3C[C@H]2CS3)CC1	ZINC000459785347	684457464	/nfs/dbraw/zinc/45/74/64/684457464.db2.gz	BIMUESWCRRSTGH-SOUVJXGZSA-N	1	0	362.524	1.647	20	30		FDEDRO
C[NH+](C)C1(CNS(=O)(=O)c2cccc(C#N)c2)Cc2ccccc2C1	ZINC000462314070	684628227	/nfs/dbraw/zinc/62/82/27/684628227.db2.gz	NHDGULKDOZGQFQ-UHFFFAOYSA-N	1	0	355.463	1.936	20	30		FDEDRO
C=CCC[N@@H+](C)CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21	ZINC000467284817	684852222	/nfs/dbraw/zinc/85/22/22/684852222.db2.gz	WQHIELLKDGDUQJ-UHFFFAOYSA-N	1	0	365.499	1.724	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCC1CC[NH+](CCC)CC1	ZINC000477638348	685869176	/nfs/dbraw/zinc/86/91/76/685869176.db2.gz	CPPOHCHWTBTSFK-DLBZAZTESA-N	1	0	351.491	1.322	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccccc2S(=O)(=O)N(C)CC)CC1	ZINC000480143611	686133314	/nfs/dbraw/zinc/13/33/14/686133314.db2.gz	KCNJMJCFIRKDBU-UHFFFAOYSA-N	1	0	365.499	1.707	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCOC[C@H]2OCCOC)CC1	ZINC000486197277	686848439	/nfs/dbraw/zinc/84/84/39/686848439.db2.gz	XRHGXPOAESXHOA-IAGOWNOFSA-N	1	0	355.479	1.147	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000487782675	687001547	/nfs/dbraw/zinc/00/15/47/687001547.db2.gz	NKWDAAQVZCVVOG-SJORKVTESA-N	1	0	351.491	1.418	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)N2CCC(CC[NH+]3CCOCC3)CC2)c1	ZINC000492236171	687158135	/nfs/dbraw/zinc/15/81/35/687158135.db2.gz	CLUGJPNLXRJMAR-UHFFFAOYSA-N	1	0	363.483	1.681	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N(CCCc1ccccc1)CC[NH+](C)C	ZINC000510098275	689347225	/nfs/dbraw/zinc/34/72/25/689347225.db2.gz	KCSIXAAINKFOBA-QGZVFWFLSA-N	1	0	366.531	1.962	20	30		FDEDRO
C[NH+](C)CC1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1	ZINC000511031219	689452050	/nfs/dbraw/zinc/45/20/50/689452050.db2.gz	PKJMGLNTAHMEGZ-UHFFFAOYSA-N	1	0	363.483	1.273	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCN(c2ccccc2Cl)C1=O	ZINC000514933683	689788056	/nfs/dbraw/zinc/78/80/56/689788056.db2.gz	VQFXHQZTSJSXLW-HIFRSBDPSA-N	1	0	350.850	1.241	20	30		FDEDRO
C[NH+](C)[C@H]1CN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1O	ZINC000517667378	690085241	/nfs/dbraw/zinc/08/52/41/690085241.db2.gz	IEDCTKUUMYTFGO-GJZGRUSLSA-N	1	0	362.499	1.434	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)c2cc(N3CCNC3=O)ccc2Cl)CC1	ZINC000525680549	694633986	/nfs/dbraw/zinc/63/39/86/694633986.db2.gz	OUOSXEPOYSUFTQ-UHFFFAOYSA-N	1	0	361.833	1.587	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCCC[C@H]([NH3+])C2)cc1	ZINC000638823241	695403260	/nfs/dbraw/zinc/40/32/60/695403260.db2.gz	KPLPEYMUPXGWQT-HNNXBMFYSA-N	1	0	351.472	1.494	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1NC1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000641449769	696107422	/nfs/dbraw/zinc/10/74/22/696107422.db2.gz	NHRLTRPDIXFBSE-MRXNPFEDSA-N	1	0	365.499	1.816	20	30		FDEDRO
N#Cc1cc(Cl)nc(C(F)(F)N2CC(=O)NC3(CC[NH2+]CC3)C2)c1	ZINC001164389208	718809198	/nfs/dbraw/zinc/80/91/98/718809198.db2.gz	HARJPFZFRNOOJV-UHFFFAOYSA-N	1	0	355.776	1.210	20	30		FDEDRO
CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1nc(Cl)ccc1C#N	ZINC001164616118	719014788	/nfs/dbraw/zinc/01/47/88/719014788.db2.gz	KLGDFLYVELKISN-GRYCIOLGSA-N	1	0	370.787	1.881	20	30		FDEDRO
COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1C[C@@H]2OCC[N@H+](C)[C@H]2C1	ZINC001164672475	719411050	/nfs/dbraw/zinc/41/10/50/719411050.db2.gz	RWGSJOQURSOMEX-HOTGVXAUSA-N	1	0	373.529	1.616	20	30		FDEDRO
C=CCOc1cc(C)nc(N2CCC3(CCC[N@H+]3CC(=O)NC)CC2)n1	ZINC001164684714	719720050	/nfs/dbraw/zinc/72/00/50/719720050.db2.gz	JUOLTZDXZFJNLG-UHFFFAOYSA-N	1	0	359.474	1.531	20	30		FDEDRO
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nccc(C#N)c1F)CCC2	ZINC001164814716	720222620	/nfs/dbraw/zinc/22/26/20/720222620.db2.gz	WLEJXZRTJZHQHV-UHFFFAOYSA-N	1	0	370.432	1.900	20	30		FDEDRO
Cc1cnc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c(C#N)n1	ZINC001164813833	720232883	/nfs/dbraw/zinc/23/28/83/720232883.db2.gz	PWEJDKAIIQIPEO-UHFFFAOYSA-N	1	0	367.457	1.464	20	30		FDEDRO
Cc1nc(C#N)cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1	ZINC001164821786	720353387	/nfs/dbraw/zinc/35/33/87/720353387.db2.gz	BWSIOQLYKIHOJZ-ZWKOTPCHSA-N	1	0	368.485	1.568	20	30		FDEDRO
COC(=O)c1cc(C#N)cnc1N1Cc2nccn2C[C@@H](C[NH+](C)C)C1	ZINC001164735534	720531211	/nfs/dbraw/zinc/53/12/11/720531211.db2.gz	PCCKXHTWSOIUIH-CQSZACIVSA-N	1	0	354.414	1.134	20	30		FDEDRO
N#Cc1nc(Cl)cnc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164741722	720644561	/nfs/dbraw/zinc/64/45/61/720644561.db2.gz	MAKKOBVPQXTLQD-VXGBXAGGSA-N	1	0	357.805	1.134	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3ncc(C#N)cc3Cl)CC[C@@H]2C1	ZINC001164851800	720836882	/nfs/dbraw/zinc/83/68/82/720836882.db2.gz	HYCIYRLMVTYCIM-GDBMZVCRSA-N	1	0	350.850	1.780	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3ncc(Cl)nc3C#N)CC[C@@H]2C1	ZINC001164852822	720840950	/nfs/dbraw/zinc/84/09/50/720840950.db2.gz	LNASRWIPNBYXHK-TZMCWYRMSA-N	1	0	351.838	1.175	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3ncc(Cl)cc3C#N)CC[C@@H]2C1	ZINC001164856864	720868694	/nfs/dbraw/zinc/86/86/94/720868694.db2.gz	PRQDWEVNGWKOCZ-CJNGLKHVSA-N	1	0	350.850	1.780	20	30		FDEDRO
Cc1ncc(C#N)c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1	ZINC001164868673	721074200	/nfs/dbraw/zinc/07/42/00/721074200.db2.gz	PIXROIOMQGCLPX-QZTJIDSGSA-N	1	0	350.426	1.531	20	30		FDEDRO
N#Cc1c(F)ccnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164862823	721104234	/nfs/dbraw/zinc/10/42/34/721104234.db2.gz	BACOMFBMAUFLLD-CVEARBPZSA-N	1	0	353.401	1.967	20	30		FDEDRO
N#Cc1ncc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1C#N	ZINC001164904272	721557957	/nfs/dbraw/zinc/55/79/57/721557957.db2.gz	DRXGCRNILFQDOR-HOCLYGCPSA-N	1	0	364.384	1.701	20	30		FDEDRO
Cc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(C#N)n1	ZINC001164983839	722136520	/nfs/dbraw/zinc/13/65/20/722136520.db2.gz	VOGGJKFVEDAIOK-HKUYNNGSSA-N	1	0	364.453	1.779	20	30		FDEDRO
C[NH+](C)CCOCc1ncn2c1CN(c1ncc(C#N)cc1F)CCC2	ZINC001165001626	722255156	/nfs/dbraw/zinc/25/51/56/722255156.db2.gz	DDMXHQZMXPQVNU-UHFFFAOYSA-N	1	0	358.421	1.777	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3coc(C4CCOCC4)n3)[C@H]2C1	ZINC001083242692	782287109	/nfs/dbraw/zinc/28/71/09/782287109.db2.gz	UDJRUCBAYWCVBR-DLBZAZTESA-N	1	0	361.442	1.670	20	30		FDEDRO
C/C(=C\C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC#N)C1)C1CC1	ZINC001211543426	782651800	/nfs/dbraw/zinc/65/18/00/782651800.db2.gz	FXXIEGIRIGDYCU-YOYDVCCWSA-N	1	0	366.465	1.567	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccon2)C[C@H]1c1ccccc1	ZINC001211544148	782704567	/nfs/dbraw/zinc/70/45/67/782704567.db2.gz	VYOBWWSJHGJUMI-QILLFSRXSA-N	1	0	368.437	1.563	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1	ZINC000969123617	768902020	/nfs/dbraw/zinc/90/20/20/768902020.db2.gz	NYAPFHQUCRRWJQ-DQEVTTJGSA-N	1	0	366.465	1.219	20	30		FDEDRO
N#CCOc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc1	ZINC001020406205	769199725	/nfs/dbraw/zinc/19/97/25/769199725.db2.gz	MXWUYROZPMWDKH-LUGKEOMYSA-N	1	0	367.449	1.749	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1	ZINC001020422753	769404619	/nfs/dbraw/zinc/40/46/19/769404619.db2.gz	BGUSOGKQFLSHBY-XFUTXVRSSA-N	1	0	373.428	1.486	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccccc3)C2=O)C1	ZINC001022736818	782797469	/nfs/dbraw/zinc/79/74/69/782797469.db2.gz	DNIJHDSULFEYNJ-CGHHPOIWSA-N	1	0	369.465	1.620	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2noc(-c3ccoc3)n2)C1	ZINC001022737182	782799786	/nfs/dbraw/zinc/79/97/86/782799786.db2.gz	RSAHNZSHTNSMAT-BARDWOONSA-N	1	0	358.398	1.658	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1	ZINC000187279562	770093130	/nfs/dbraw/zinc/09/31/30/770093130.db2.gz	BPFAPQNWAFTNGE-UHFFFAOYSA-N	1	0	357.454	1.874	20	30		FDEDRO
C[C@@H](CC(F)F)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1	ZINC001112478188	770151939	/nfs/dbraw/zinc/15/19/39/770151939.db2.gz	YTOKPROGAAYXQO-DCGLDWPTSA-N	1	0	356.417	1.136	20	30		FDEDRO
CN(c1ccccc1CN=Nc1nccn(C)c1=O)C1CC[NH+](C)CC1	ZINC000748081235	770445514	/nfs/dbraw/zinc/44/55/14/770445514.db2.gz	VFRZRZCMVMSUIB-UHFFFAOYSA-N	1	0	354.458	1.757	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC001020589995	770910243	/nfs/dbraw/zinc/91/02/43/770910243.db2.gz	JRIJBBUTLMWFOT-YHUYYLMFSA-N	1	0	358.417	1.158	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@@H]1C	ZINC001020599706	770947280	/nfs/dbraw/zinc/94/72/80/770947280.db2.gz	NWXBONYBIKAFHL-OGIUKLMXSA-N	1	0	368.437	1.873	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1	ZINC001020604764	770983164	/nfs/dbraw/zinc/98/31/64/770983164.db2.gz	NBAKNLCCRJMLPK-RWQQGDIJSA-N	1	0	355.438	1.917	20	30		FDEDRO
N#CCOc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)cc1	ZINC001022744972	782892769	/nfs/dbraw/zinc/89/27/69/782892769.db2.gz	LVVLZNOVDKHANO-CGHHPOIWSA-N	1	0	355.438	1.893	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1	ZINC000969937987	771086398	/nfs/dbraw/zinc/08/63/98/771086398.db2.gz	UTRIKMGDVVWCSW-KFWWJZLASA-N	1	0	355.866	1.099	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nc(=O)n(C)[nH]2)C1	ZINC001104236054	771459946	/nfs/dbraw/zinc/45/99/46/771459946.db2.gz	HYZXPUYNUWFTJA-DGCLKSJQSA-N	1	0	369.897	1.461	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccnn2C(F)F)C[C@H]1C	ZINC001104239090	771583661	/nfs/dbraw/zinc/58/36/61/771583661.db2.gz	WQGCBDINJIISGJ-CHWSQXEVSA-N	1	0	369.416	1.268	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3ccc(C)s3)[C@@H]2C1	ZINC001020963589	771695501	/nfs/dbraw/zinc/69/55/01/771695501.db2.gz	ILNDNVURWFVMKO-YESZJQIVSA-N	1	0	371.506	1.827	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1	ZINC000430378874	771718123	/nfs/dbraw/zinc/71/81/23/771718123.db2.gz	NEUUCNVYNFMZCP-SQNIBIBYSA-N	1	0	363.502	1.274	20	30		FDEDRO
C[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000275377709	771759149	/nfs/dbraw/zinc/75/91/49/771759149.db2.gz	ZJBONMRMCBVOEK-AEFFLSMTSA-N	1	0	369.469	1.647	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001067431568	771839845	/nfs/dbraw/zinc/83/98/45/771839845.db2.gz	SEQZXRVDKOIPLT-IXDOHACOSA-N	1	0	351.491	1.062	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1	ZINC000430415230	771858343	/nfs/dbraw/zinc/85/83/43/771858343.db2.gz	FILIZRMGFKSDLF-IRXDYDNUSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn(C)c(=O)cn1)C2	ZINC001112482491	772339443	/nfs/dbraw/zinc/33/94/43/772339443.db2.gz	YXCYPTUVSCDVIR-FTRWYGJKSA-N	1	0	358.486	1.967	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1coc3c1C(=O)NCCC3)C2	ZINC001112482362	772343352	/nfs/dbraw/zinc/34/33/52/772343352.db2.gz	RCRABMSQKILTIG-BTYIYWSLSA-N	1	0	369.465	1.811	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)C[C@H]1C	ZINC001104259460	772499394	/nfs/dbraw/zinc/49/93/94/772499394.db2.gz	OKVIGRSEICCFOX-KZNAEPCWSA-N	1	0	365.518	1.522	20	30		FDEDRO
C[C@@H](NC(=O)[C@H]1C[C@H]1C(=O)N(C)C)C1C[NH+](Cc2cccc(C#N)c2)C1	ZINC000970423720	772606486	/nfs/dbraw/zinc/60/64/86/772606486.db2.gz	AKVPMMHXNSGIED-JEBQAFNWSA-N	1	0	354.454	1.219	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(Cn3ccnn3)o1)C2	ZINC001112484454	772649997	/nfs/dbraw/zinc/64/99/97/772649997.db2.gz	QFPVWSLARBSSAD-JXFKEZNVSA-N	1	0	367.453	1.775	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1	ZINC000890987354	772653844	/nfs/dbraw/zinc/65/38/44/772653844.db2.gz	WQEMJXIZWNASCN-CQSZACIVSA-N	1	0	363.421	1.938	20	30		FDEDRO
Cc1nsc(NC[C@H](C)CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)c1C#N	ZINC001104269830	772662445	/nfs/dbraw/zinc/66/24/45/772662445.db2.gz	HFRHQEYBBIOXGL-JTNHKYCSSA-N	1	0	351.476	1.207	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC(F)(F)C2)C[C@H]1C	ZINC001104272227	772706929	/nfs/dbraw/zinc/70/69/29/772706929.db2.gz	UHQFVKFGPPEPIA-QLFBSQMISA-N	1	0	357.445	1.798	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](C)c3nnnn3C)C2)CCC1	ZINC001104279490	772754642	/nfs/dbraw/zinc/75/46/42/772754642.db2.gz	BLMHKHCMOMHFAX-OWCLPIDISA-N	1	0	358.490	1.539	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)CC4CCC4)[C@@H]3C2)CC1	ZINC001021304133	772831917	/nfs/dbraw/zinc/83/19/17/772831917.db2.gz	BDLOVIBDXGHLKY-RBUKOAKNSA-N	1	0	357.498	1.581	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(C(=O)N=S(C)(C)=O)cc2)CC1	ZINC000891012695	772837637	/nfs/dbraw/zinc/83/76/37/772837637.db2.gz	DXRJEKOWAAAAAU-UHFFFAOYSA-N	1	0	361.467	1.838	20	30		FDEDRO
CC(C)(C(=O)N1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1)[NH+]1CCCC1	ZINC001021325723	772920704	/nfs/dbraw/zinc/92/07/04/772920704.db2.gz	KZXHRFVDIBNXHL-DOTOQJQBSA-N	1	0	369.469	1.434	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCCO[C@@H]2c2nccn2C)CC1	ZINC000275677567	773109211	/nfs/dbraw/zinc/10/92/11/773109211.db2.gz	RIBAIRZYJLAVPZ-IRXDYDNUSA-N	1	0	361.490	1.980	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@@H](O)C1	ZINC000970636497	773161270	/nfs/dbraw/zinc/16/12/70/773161270.db2.gz	ROMCLABRHCGQLW-TYILLQQXSA-N	1	0	369.481	1.099	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1)[NH+](C)C	ZINC001021428359	773306963	/nfs/dbraw/zinc/30/69/63/773306963.db2.gz	HOSLXINNAYMLSP-XKQJLSEDSA-N	1	0	357.458	1.145	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1	ZINC000275735222	773453151	/nfs/dbraw/zinc/45/31/51/773453151.db2.gz	AJZRWZBKJJDUJQ-ZDUSSCGKSA-N	1	0	358.442	1.694	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2[nH]c(C)c(C(N)=O)c2CC)C[C@H]1C	ZINC001104289027	773484489	/nfs/dbraw/zinc/48/44/89/773484489.db2.gz	CQNXDKBXZKVYMZ-UKRRQHHQSA-N	1	0	358.486	1.696	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000656183718	774107564	/nfs/dbraw/zinc/10/75/64/774107564.db2.gz	XEPAKKUDRMXXGE-HBFSDRIKSA-N	1	0	359.470	1.608	20	30		FDEDRO
CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1C	ZINC001104304650	774414709	/nfs/dbraw/zinc/41/47/09/774414709.db2.gz	VCAZCMIXTNJFDC-OAGGEKHMSA-N	1	0	366.506	1.629	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1	ZINC000924431951	783181839	/nfs/dbraw/zinc/18/18/39/783181839.db2.gz	DNFJBLQWTFDHEP-UHFFFAOYSA-N	1	0	358.486	1.523	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC1(C[NH2+][C@H](C)C(=O)NC)CC1	ZINC001167422229	774561764	/nfs/dbraw/zinc/56/17/64/774561764.db2.gz	LJAJXRLFRJGIAX-PMPSAXMXSA-N	1	0	351.491	1.368	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC1(C[NH2+]C[C@@H](O)COC)CC1	ZINC001167422667	774565426	/nfs/dbraw/zinc/56/54/26/774565426.db2.gz	WJJSYKCBFFBGGK-IKGGRYGDSA-N	1	0	354.491	1.241	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)C(=O)C(C)(C)C)C1=O	ZINC001087136699	774692136	/nfs/dbraw/zinc/69/21/36/774692136.db2.gz	FAOVRDRIEFERSZ-OWCLPIDISA-N	1	0	363.502	1.605	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1	ZINC001021710645	774744548	/nfs/dbraw/zinc/74/45/48/774744548.db2.gz	PMGDDQFLUNAOOH-BMFAXAFESA-N	1	0	361.486	1.123	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C#N)ccc2OC)[C@@H](C)C1	ZINC000275965216	774767772	/nfs/dbraw/zinc/76/77/72/774767772.db2.gz	GHMGLHNSOSVXHR-XJKSGUPXSA-N	1	0	358.442	1.694	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1(C[NH2+][C@H]2CCCN(C)C2=O)CC1	ZINC001167435055	774826693	/nfs/dbraw/zinc/82/66/93/774826693.db2.gz	FNAZNFIIPDWSKY-ULQDDVLXSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1(C[NH2+]CCN2CCCC2=O)CC1	ZINC001167435404	774845382	/nfs/dbraw/zinc/84/53/82/774845382.db2.gz	XUJOQYUZAMKSAG-WMZOPIPTSA-N	1	0	363.502	1.466	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccnc(CCC)c2)C[C@H]1C	ZINC001104320833	774927772	/nfs/dbraw/zinc/92/77/72/774927772.db2.gz	GSQKZKLTUBVVKV-SJLPKXTDSA-N	1	0	370.497	1.471	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C)CCCC1)C2	ZINC001112500920	775011594	/nfs/dbraw/zinc/01/15/94/775011594.db2.gz	YQVKLUHTAFIPSL-WWMYMODYSA-N	1	0	359.514	1.923	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ncn(-c3ccccc3)n2)C[C@H]1C	ZINC001104332755	775458049	/nfs/dbraw/zinc/45/80/49/775458049.db2.gz	UMOPLTFMGZNGRT-IAGOWNOFSA-N	1	0	351.454	1.978	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2CCC(F)(F)CC2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104724678	790393457	/nfs/dbraw/zinc/39/34/57/790393457.db2.gz	ABGXXLZLHZOIEZ-UKRRQHHQSA-N	1	0	370.444	1.526	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(C)ccc2F)C[C@H]1C	ZINC001104725582	790399588	/nfs/dbraw/zinc/39/95/88/790399588.db2.gz	ZHQYUQLWLOGWLS-HZPDHXFCSA-N	1	0	359.445	1.571	20	30		FDEDRO
C[C@@H](NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccc(C#N)cc1	ZINC000891370045	775939361	/nfs/dbraw/zinc/93/93/61/775939361.db2.gz	INPKLHDSECMLHB-ZFVVBOAOSA-N	1	0	369.425	1.196	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC(=O)Nc3ccccc31)C2	ZINC001112503475	776148291	/nfs/dbraw/zinc/14/82/91/776148291.db2.gz	RVBFWNVTZHWRCR-XPIZARPCSA-N	1	0	351.450	1.964	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)C1	ZINC001021901020	776561122	/nfs/dbraw/zinc/56/11/22/776561122.db2.gz	SGQFGWNQUCEGLJ-GBESFXJTSA-N	1	0	357.498	1.437	20	30		FDEDRO
CC(C)(CNC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)[NH+]1CCCCC1	ZINC000328781509	776769213	/nfs/dbraw/zinc/76/92/13/776769213.db2.gz	FSYONMZLCLMDIP-INIZCTEOSA-N	1	0	366.506	1.488	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(CC#N)CC[C@@H]1c1ccc(F)cc1	ZINC001075419902	776770751	/nfs/dbraw/zinc/77/07/51/776770751.db2.gz	CVDLLSNLMVQSEH-QRQLOZEOSA-N	1	0	358.461	1.965	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2cc(=O)n(C)o2)C1	ZINC001075420008	776777228	/nfs/dbraw/zinc/77/72/28/776777228.db2.gz	IPVOYDGQMKXQKG-NVXWUHKLSA-N	1	0	371.412	1.586	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)[C@@H]2C1	ZINC000892712990	790493973	/nfs/dbraw/zinc/49/39/73/790493973.db2.gz	RRWSYHDREKKPRF-NVXWUHKLSA-N	1	0	354.458	1.268	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)CS(=O)(=O)C2CCCC2)C[C@H]1C	ZINC001104357444	777060081	/nfs/dbraw/zinc/06/00/81/777060081.db2.gz	ASBKFCRGCBKMSH-HZPDHXFCSA-N	1	0	354.516	1.441	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H]2CC(=O)N(C)C2)C1	ZINC001075421320	777076946	/nfs/dbraw/zinc/07/69/46/777076946.db2.gz	ZLQSTCNKBHDTCE-YQVWRLOYSA-N	1	0	371.456	1.459	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)Cc2cncnc2)C1=O	ZINC001087157562	777168708	/nfs/dbraw/zinc/16/87/08/777168708.db2.gz	MYNJICFVMAGZAH-BPQIPLTHSA-N	1	0	371.485	1.023	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC000973617850	790517839	/nfs/dbraw/zinc/51/78/39/790517839.db2.gz	QVEHOCRUNVBERA-DNUGQZQRSA-N	1	0	369.469	1.478	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC)C2)cc1	ZINC001112505962	777425208	/nfs/dbraw/zinc/42/52/08/777425208.db2.gz	RBOBIAJKWLOOBX-RXVVDRJESA-N	1	0	353.466	1.636	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2[nH]ccc2C)C1=O	ZINC001087159812	777585238	/nfs/dbraw/zinc/58/52/38/777585238.db2.gz	ISOGPHXDVYKWPB-HYVNUMGLSA-N	1	0	358.486	1.940	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+]C3([C@H]4CCCCO4)CC3)CC2)o1	ZINC000933372486	777783689	/nfs/dbraw/zinc/78/36/89/777783689.db2.gz	FFMNIAWUWCCBQY-MRXNPFEDSA-N	1	0	373.457	1.195	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCn3ccnc3C2)C[C@H]1C	ZINC001104367289	777936247	/nfs/dbraw/zinc/93/62/47/777936247.db2.gz	NZURVIIQPBDZLI-KZNAEPCWSA-N	1	0	358.486	1.170	20	30		FDEDRO
C[C@@](CO)(Cc1ccccc1F)[NH2+]C[C@@H](O)CC1(C#N)CCOCC1	ZINC000933430564	778110361	/nfs/dbraw/zinc/11/03/61/778110361.db2.gz	OHYBDSFATZJORU-WMZOPIPTSA-N	1	0	350.434	1.780	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)cc1	ZINC000891499431	778147763	/nfs/dbraw/zinc/14/77/63/778147763.db2.gz	JDILUVVLGVGGIA-QGZVFWFLSA-N	1	0	358.442	1.547	20	30		FDEDRO
COc1ccc([C@@H]2C[NH2+]CCN2C(=O)NC2CCN(CC#N)CC2)cc1	ZINC000891525182	778209607	/nfs/dbraw/zinc/20/96/07/778209607.db2.gz	QEKWMJMASDXIPV-SFHVURJKSA-N	1	0	357.458	1.339	20	30		FDEDRO
CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCCN2CC(=O)NCCC#N	ZINC000933505203	778280999	/nfs/dbraw/zinc/28/09/99/778280999.db2.gz	YACUCROCXVEHAG-RDTXWAMCSA-N	1	0	350.463	1.786	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)cc1	ZINC001022160547	778437141	/nfs/dbraw/zinc/43/71/41/778437141.db2.gz	XXTCCLXVWAGGGS-VQTJNVASSA-N	1	0	365.477	1.835	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1	ZINC001022217287	778683371	/nfs/dbraw/zinc/68/33/71/778683371.db2.gz	JAZGYTBXLWGORG-FUHWJXTLSA-N	1	0	368.481	1.443	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3cscc3C)[C@@H]2C1	ZINC000971709293	778758092	/nfs/dbraw/zinc/75/80/92/778758092.db2.gz	JQZDZYZLUYHVEV-BPQIPLTHSA-N	1	0	371.506	1.827	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1	ZINC001022228699	778777806	/nfs/dbraw/zinc/77/78/06/778777806.db2.gz	LJOQGOGRZXLKJF-YYIAUSFCSA-N	1	0	365.437	1.830	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3cn4cccc(C)c4n3)[C@H]2C1	ZINC001083224286	779048501	/nfs/dbraw/zinc/04/85/01/779048501.db2.gz	QIROWVHEXRUESR-ZWKOTPCHSA-N	1	0	354.454	1.673	20	30		FDEDRO
C#CC[C@@H](NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1	ZINC000891720859	779179762	/nfs/dbraw/zinc/17/97/62/779179762.db2.gz	PXNZMQOBPIFIFO-MLHJIOFPSA-N	1	0	368.437	1.328	20	30		FDEDRO
CCN(C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CC[NH2+]C1	ZINC000891850957	779738187	/nfs/dbraw/zinc/73/81/87/779738187.db2.gz	AHJCOYGJMSWZAT-SJORKVTESA-N	1	0	355.442	1.053	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1c1ccccc1	ZINC001211526307	779946733	/nfs/dbraw/zinc/94/67/33/779946733.db2.gz	GANXMRRYCPJTFZ-RYQLBKOJSA-N	1	0	354.458	1.612	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@](C)(O)CN2Cc3ccccc3C2=O)CC1	ZINC000277103360	780747750	/nfs/dbraw/zinc/74/77/50/780747750.db2.gz	MNDJREILSJIOPI-OAQYLSRUSA-N	1	0	371.481	1.550	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)COc2c(C)occc2=O)[C@H](OC)C1	ZINC001213155951	780899085	/nfs/dbraw/zinc/89/90/85/780899085.db2.gz	BGIYWOBPJMVLQJ-GDBMZVCRSA-N	1	0	350.415	1.109	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nnnn2C)C1	ZINC001112509113	781039418	/nfs/dbraw/zinc/03/94/18/781039418.db2.gz	KNEZLRZTRDFSRD-LPHOPBHVSA-N	1	0	358.490	1.512	20	30		FDEDRO
C[NH+](C)CCOC1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)CC1	ZINC000866862678	781293556	/nfs/dbraw/zinc/29/35/56/781293556.db2.gz	BDUXZMDOUXJATL-UHFFFAOYSA-N	1	0	355.435	1.429	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1	ZINC000277388274	781658850	/nfs/dbraw/zinc/65/88/50/781658850.db2.gz	BTLTYIAQPBEHNO-MRXNPFEDSA-N	1	0	373.428	1.909	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@H]1C	ZINC001104398471	781664043	/nfs/dbraw/zinc/66/40/43/781664043.db2.gz	MMTURLUVOFHGJV-ZACQAIPSSA-N	1	0	350.507	1.818	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)C4CC5(CC5)C4)[C@@H]3C2)CC1	ZINC001022640208	781728803	/nfs/dbraw/zinc/72/88/03/781728803.db2.gz	HYTABNYUBWDCHS-PKOBYXMFSA-N	1	0	369.509	1.581	20	30		FDEDRO
N#Cc1ccccc1N1CCC(NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1	ZINC000892156566	781861878	/nfs/dbraw/zinc/86/18/78/781861878.db2.gz	KXDPBSVDVOLAIM-MRXNPFEDSA-N	1	0	363.412	1.823	20	30		FDEDRO
CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2cc(F)cc(C#N)c2)CC1	ZINC000866874316	783246096	/nfs/dbraw/zinc/24/60/96/783246096.db2.gz	ONXSMZAKYHDBNR-CQSZACIVSA-N	1	0	368.478	1.249	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2nnc3ccccc3n2)C[C@H]1C	ZINC001104424541	783306515	/nfs/dbraw/zinc/30/65/15/783306515.db2.gz	JUKMANJGUATNID-HZPDHXFCSA-N	1	0	369.469	1.915	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2CCC3(CC3)CC2)C[C@H]1C	ZINC001104425449	783373620	/nfs/dbraw/zinc/37/36/20/783373620.db2.gz	IRNHHFPIBXEDKD-SJLPKXTDSA-N	1	0	359.514	1.780	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1	ZINC001022827576	783509327	/nfs/dbraw/zinc/50/93/27/783509327.db2.gz	DDPBYHXPPBJETM-ZMMAXQRCSA-N	1	0	359.470	1.493	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccccc3C[NH+](C)C)C2)C1	ZINC001024135846	783814214	/nfs/dbraw/zinc/81/42/14/783814214.db2.gz	YAYKHGOKICFYNN-QZTJIDSGSA-N	1	0	371.481	1.406	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@H]2O)C1	ZINC001025542755	790976648	/nfs/dbraw/zinc/97/66/48/790976648.db2.gz	YANLUDSYJVFFEU-IXDOHACOSA-N	1	0	363.502	1.294	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C3CCC=CCC3)C[C@H]21	ZINC000972835078	783902795	/nfs/dbraw/zinc/90/27/95/783902795.db2.gz	MYSCXMSCTFEBKD-HSALFYBXSA-N	1	0	369.509	1.890	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3cncc(C)c3)C[C@H]21	ZINC000972835463	783904117	/nfs/dbraw/zinc/90/41/17/783904117.db2.gz	VBAUEALVSRDQHT-NZSAHSFTSA-N	1	0	366.465	1.161	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1	ZINC001024155183	784012184	/nfs/dbraw/zinc/01/21/84/784012184.db2.gz	MACWIKCSNAWRKF-BRWVUGGUSA-N	1	0	365.518	1.540	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000658488608	784169879	/nfs/dbraw/zinc/16/98/79/784169879.db2.gz	SBOZYQJYXTWYBG-LJQANCHMSA-N	1	0	373.497	1.770	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@H](O)COCCOC)C1	ZINC001112520555	784214776	/nfs/dbraw/zinc/21/47/76/784214776.db2.gz	KTXKLMQJLRMEGI-BJLQDIEVSA-N	1	0	368.518	1.585	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2cnn(C)n2)C1	ZINC001024192275	784289919	/nfs/dbraw/zinc/28/99/19/784289919.db2.gz	QYIORQHZNFSIQF-SZMVWBNQSA-N	1	0	361.490	1.515	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccc(C#N)cc2)C1	ZINC001024444193	784705102	/nfs/dbraw/zinc/70/51/02/784705102.db2.gz	WDSARROOEUVEGH-AYOQOUSVSA-N	1	0	368.481	1.944	20	30		FDEDRO
N#Cc1ccc(N2C(=O)C[C@H](N3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@H]4C3)C2=O)cc1	ZINC000364274802	784949180	/nfs/dbraw/zinc/94/91/80/784949180.db2.gz	YDGHOBGWEYCWFY-KANFNMMFSA-N	1	0	364.449	1.606	20	30		FDEDRO
N#Cc1ccc(OCCC[NH+]2CCC(O)(CN3CCOCC3)CC2)cc1	ZINC000375809611	784978063	/nfs/dbraw/zinc/97/80/63/784978063.db2.gz	FHYVZGWJVKYDJW-UHFFFAOYSA-N	1	0	359.470	1.486	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1	ZINC000364353635	784981329	/nfs/dbraw/zinc/98/13/29/784981329.db2.gz	MRXMHRMWMFGYSO-MOPGFXCFSA-N	1	0	368.481	1.897	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(=O)c(OC)c[nH]2)C[C@H]1c1ccccc1	ZINC001211632936	785093816	/nfs/dbraw/zinc/09/38/16/785093816.db2.gz	MTOMEWRDYVXAPV-FUHWJXTLSA-N	1	0	365.433	1.605	20	30		FDEDRO
N#CCc1cccc2c1CCN(C(=O)NC[C@@H]1CC3(CO1)CC[NH2+]CC3)C2	ZINC000892759998	791110409	/nfs/dbraw/zinc/11/04/09/791110409.db2.gz	MGBXRTPZXQKDSH-SFHVURJKSA-N	1	0	368.481	1.979	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1	ZINC000658809552	785467369	/nfs/dbraw/zinc/46/73/69/785467369.db2.gz	CAGGYLZEMWRPDQ-IRXDYDNUSA-N	1	0	351.491	1.370	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1	ZINC001024648693	785609276	/nfs/dbraw/zinc/60/92/76/785609276.db2.gz	JOPWUFRMTJWAPC-MDZRGWNJSA-N	1	0	356.426	1.238	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCc1ccnn1C	ZINC001024702352	785770625	/nfs/dbraw/zinc/77/06/25/785770625.db2.gz	RORNDNZWKTUVCM-QYZOEREBSA-N	1	0	360.502	1.915	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCN1CCCC1=O	ZINC001024701402	785780240	/nfs/dbraw/zinc/78/02/40/785780240.db2.gz	BRKNEUJEBCGCOJ-AOIWGVFYSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(=O)n(CCCC)n3)[C@H]2C1	ZINC001083271512	785827867	/nfs/dbraw/zinc/82/78/67/785827867.db2.gz	MSUDNJLQETYXGM-DLBZAZTESA-N	1	0	360.458	1.145	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(=O)n(CCC)n3)[C@H]2C1	ZINC001083271583	785834422	/nfs/dbraw/zinc/83/44/22/785834422.db2.gz	QMRHEYUOWRKHEM-DLBZAZTESA-N	1	0	360.458	1.145	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000376102635	785887497	/nfs/dbraw/zinc/88/74/97/785887497.db2.gz	IZHCFMBQOJAYBF-IAGOWNOFSA-N	1	0	374.460	1.751	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C(F)F)n[nH]1)C2	ZINC001112528029	805672178	/nfs/dbraw/zinc/67/21/78/805672178.db2.gz	JFDPXNDJEDYASQ-UGSOOPFHSA-N	1	0	366.412	1.829	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]21	ZINC000978716908	805708215	/nfs/dbraw/zinc/70/82/15/805708215.db2.gz	IAARMKGDDMWYKI-XCDZQEORSA-N	1	0	366.465	1.077	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCC#CCO	ZINC000923784717	786871301	/nfs/dbraw/zinc/87/13/01/786871301.db2.gz	JYVOIWVJLCDOAR-UHFFFAOYSA-N	1	0	357.376	1.774	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H]1CNCc1csnn1	ZINC001024967296	786996915	/nfs/dbraw/zinc/99/69/15/786996915.db2.gz	WTOLFEIXJSWHPJ-OAGGEKHMSA-N	1	0	350.488	1.990	20	30		FDEDRO
C=C[C@H](CO)NC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+](CC)CC)c1	ZINC000658916531	787377391	/nfs/dbraw/zinc/37/73/91/787377391.db2.gz	UQKVHBMUPCYLEA-MRXNPFEDSA-N	1	0	372.469	1.585	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCNC(=O)CC2)C[C@H]1c1ccccc1	ZINC001211640194	787381651	/nfs/dbraw/zinc/38/16/51/787381651.db2.gz	QAAYBEWXFDPKTO-GBESFXJTSA-N	1	0	353.466	1.510	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnn(CCOC)c2)C1	ZINC001111958519	787416378	/nfs/dbraw/zinc/41/63/78/787416378.db2.gz	LVYGOJWGYZXQAU-HKUYNNGSSA-N	1	0	362.474	1.316	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)n1	ZINC000376380649	787521729	/nfs/dbraw/zinc/52/17/29/787521729.db2.gz	BMYHSLWPTACIAM-KRWDZBQOSA-N	1	0	367.457	1.014	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000892599983	787581973	/nfs/dbraw/zinc/58/19/73/787581973.db2.gz	WZIYPQJJERDKJI-JONQDZQNSA-N	1	0	369.473	1.099	20	30		FDEDRO
C=CCOCCNC(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000376411438	787660668	/nfs/dbraw/zinc/66/06/68/787660668.db2.gz	DZWNRKSAEJEAIG-HXUWFJFHSA-N	1	0	372.513	1.791	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(Cc3cn(CC)nn3)C[C@H]21	ZINC000978844219	805811411	/nfs/dbraw/zinc/81/14/11/805811411.db2.gz	UUPFQWNWKZYECJ-TXTZMMAHSA-N	1	0	359.474	1.073	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCCOC)C1	ZINC001104552476	787751590	/nfs/dbraw/zinc/75/15/90/787751590.db2.gz	JNZRXLINZVNVPZ-QZTJIDSGSA-N	1	0	365.518	1.407	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccn(C)c(=O)c1	ZINC001025090242	787815031	/nfs/dbraw/zinc/81/50/31/787815031.db2.gz	FJKYOYJUAKNSQG-KURKYZTESA-N	1	0	359.470	1.447	20	30		FDEDRO
C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1	ZINC000659090833	787986074	/nfs/dbraw/zinc/98/60/74/787986074.db2.gz	DKQJXWODYRSBBG-HOCLYGCPSA-N	1	0	372.473	1.076	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccn(CC)c2C)C[C@H]1C	ZINC001104569221	788037627	/nfs/dbraw/zinc/03/76/27/788037627.db2.gz	PIHROLKKZDOHJZ-NVXWUHKLSA-N	1	0	358.486	1.254	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(CCF)CC2)C[C@H]1c1ccccc1	ZINC001211642975	788130718	/nfs/dbraw/zinc/13/07/18/788130718.db2.gz	WNNLSSZDNBKWBV-ZWKOTPCHSA-N	1	0	371.456	1.460	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000978875520	805871830	/nfs/dbraw/zinc/87/18/30/805871830.db2.gz	PQBKREGANUWELO-YAJHFMINSA-N	1	0	367.493	1.562	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)O[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000923789104	788432992	/nfs/dbraw/zinc/43/29/92/788432992.db2.gz	PTXCFGSGOBQJKL-SFHVURJKSA-N	1	0	371.437	1.708	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1	ZINC000973323993	788556664	/nfs/dbraw/zinc/55/66/64/788556664.db2.gz	RVYFXVWDPPAIQV-ATIWLJMLSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1	ZINC000973321913	788579341	/nfs/dbraw/zinc/57/93/41/788579341.db2.gz	JSDGUVMDWPVIKC-OVWQWFNUSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cccnc2OC)C[C@H]1C	ZINC001104619898	788922285	/nfs/dbraw/zinc/92/22/85/788922285.db2.gz	QZPMCSUOHKYQLI-HUUCEWRRSA-N	1	0	360.458	1.080	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2cc(C)ccc2C)C[C@H]1C	ZINC001104625310	788978657	/nfs/dbraw/zinc/97/86/57/788978657.db2.gz	FWLZYIZNEIBTOC-RTBURBONSA-N	1	0	369.509	1.670	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1	ZINC001104627517	789022940	/nfs/dbraw/zinc/02/29/40/789022940.db2.gz	JDBDKGBCMLRJCV-RHSMWYFYSA-N	1	0	367.453	1.885	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2C(=O)CCC2=O)C1	ZINC001104632991	789065038	/nfs/dbraw/zinc/06/50/38/789065038.db2.gz	YZSZJCLCLFLCBG-QINHECLXSA-N	1	0	363.502	1.812	20	30		FDEDRO
C=CCn1cc(CNC(=O)N[C@H]2C[NH2+]CC[C@H]2c2cccc(F)c2)nn1	ZINC000659557478	789172641	/nfs/dbraw/zinc/17/26/41/789172641.db2.gz	YJJVCUJDBHHNAR-IRXDYDNUSA-N	1	0	358.421	1.548	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)C1	ZINC001104653032	789176639	/nfs/dbraw/zinc/17/66/39/789176639.db2.gz	SOKAVEPWIYYYSE-IXDOHACOSA-N	1	0	368.543	1.852	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2nc(C)no2)C[C@H]1c1ccccc1	ZINC001211646696	789231061	/nfs/dbraw/zinc/23/10/61/789231061.db2.gz	GULKKIPRMUWMHU-ZWKOTPCHSA-N	1	0	352.438	1.918	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cc(CN3CCCC3)on2)C[C@H]1C	ZINC001104682350	789367044	/nfs/dbraw/zinc/36/70/44/789367044.db2.gz	NCGMDKWIKLSXCI-IAGOWNOFSA-N	1	0	358.486	1.982	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104688856	789383227	/nfs/dbraw/zinc/38/32/27/789383227.db2.gz	CRVHLAWQDHTXQV-CHWSQXEVSA-N	1	0	356.417	1.136	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(C)c(C(N)=O)cn2)C[C@H]1C	ZINC001104704069	789552780	/nfs/dbraw/zinc/55/27/80/789552780.db2.gz	XHGIHZVEWJXPII-TZMCWYRMSA-N	1	0	364.877	1.929	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(S(C)(=O)=O)o2)C[C@H]1C	ZINC001104744919	791266574	/nfs/dbraw/zinc/26/65/74/791266574.db2.gz	ABNAWZMUXJYRBM-ZIAGYGMSSA-N	1	0	352.456	1.394	20	30		FDEDRO
C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NCCn2cnc(C#N)n2)C1	ZINC000377219187	791296517	/nfs/dbraw/zinc/29/65/17/791296517.db2.gz	ATSQPZYHKJSALN-MRXNPFEDSA-N	1	0	353.430	1.066	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ocnc1C1CC1)C2	ZINC001112529322	806082353	/nfs/dbraw/zinc/08/23/53/806082353.db2.gz	TVVMABNQACFGQK-YWZLYKJASA-N	1	0	370.453	1.133	20	30		FDEDRO
Cc1cc(C#N)nc(N2CCC3(C[C@H]3NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1	ZINC001058656144	791728912	/nfs/dbraw/zinc/72/89/12/791728912.db2.gz	WBFMSWDXIXRESA-DJIMGWMZSA-N	1	0	368.485	1.472	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1	ZINC000783013769	791782292	/nfs/dbraw/zinc/78/22/92/791782292.db2.gz	PDHUXJDYBNGWAM-UHFFFAOYSA-N	1	0	367.515	1.881	20	30		FDEDRO
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CC[C@@H]([NH3+])C1	ZINC000415297480	791871545	/nfs/dbraw/zinc/87/15/45/791871545.db2.gz	VBZNNAZRXDMSLX-CQSZACIVSA-N	1	0	365.393	1.552	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@H](CC(N)=O)C1	ZINC000377542571	792163803	/nfs/dbraw/zinc/16/38/03/792163803.db2.gz	JGRQJDDLYABFOI-LSDHHAIUSA-N	1	0	358.442	1.528	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](CC(N)=O)C1	ZINC000377542568	792163851	/nfs/dbraw/zinc/16/38/51/792163851.db2.gz	JGRQJDDLYABFOI-CABCVRRESA-N	1	0	358.442	1.528	20	30		FDEDRO
C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1	ZINC000415393073	792184010	/nfs/dbraw/zinc/18/40/10/792184010.db2.gz	JTKVVWAFKPKWGG-JTQLQIEISA-N	1	0	366.368	1.684	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)C(C)C)C[C@H]1C	ZINC001104748546	792225434	/nfs/dbraw/zinc/22/54/34/792225434.db2.gz	UOZZGAOXJLKGOC-BZUAXINKSA-N	1	0	366.506	1.365	20	30		FDEDRO
CC1(C)C[NH2+]CC[C@H]1NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1	ZINC000415435040	792265998	/nfs/dbraw/zinc/26/59/98/792265998.db2.gz	AQITXGILIDWREU-OAHLLOKOSA-N	1	0	356.405	2.393	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCn3ccnc3C2)c(OC)c1	ZINC000644626150	792400223	/nfs/dbraw/zinc/40/02/23/792400223.db2.gz	MNUIDAJVOLVJEO-IRXDYDNUSA-N	1	0	357.454	1.965	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCN(c3ncccc3C#N)CC2)C1	ZINC000377648587	792411527	/nfs/dbraw/zinc/41/15/27/792411527.db2.gz	VDOAANKNRCWIPA-LJQANCHMSA-N	1	0	359.449	1.814	20	30		FDEDRO
CCCc1c(NC(=O)C(=O)NC[C@H](C)C[NH3+])cnn1-c1cccc(C#N)c1	ZINC000415512015	792413911	/nfs/dbraw/zinc/41/39/11/792413911.db2.gz	RWYDFIVSQGKBSV-CYBMUJFWSA-N	1	0	368.441	1.346	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1C(F)(F)F	ZINC000415587908	792608713	/nfs/dbraw/zinc/60/87/13/792608713.db2.gz	DBOHEBDBSRUEBM-INIZCTEOSA-N	1	0	366.343	1.728	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1	ZINC000377770798	792760188	/nfs/dbraw/zinc/76/01/88/792760188.db2.gz	QHVOXOXMHAUCNJ-MSOLQXFVSA-N	1	0	356.470	1.452	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)NCC1(COC)CC[NH2+]CC1	ZINC000415707688	792845957	/nfs/dbraw/zinc/84/59/57/792845957.db2.gz	NUCWRVIIIVMRIW-UHFFFAOYSA-N	1	0	359.470	1.876	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(N=NC(N)=O)cc3)[C@H]2C1	ZINC001083288742	792880086	/nfs/dbraw/zinc/88/00/86/792880086.db2.gz	XJBAGVPFYWHJKR-JKSUJKDBSA-N	1	0	355.398	1.398	20	30		FDEDRO
CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1	ZINC000415743192	792896560	/nfs/dbraw/zinc/89/65/60/792896560.db2.gz	NUUZRZOFMLISQQ-DLBZAZTESA-N	1	0	354.454	1.931	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)CCc2cn(C)nc2C)C[C@H]1C	ZINC001104751210	792907403	/nfs/dbraw/zinc/90/74/03/792907403.db2.gz	CCCAMEKSWKZOOG-SJLPKXTDSA-N	1	0	360.502	1.385	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)C(=O)C2)CC[N@@H+]1C	ZINC000377933277	793115340	/nfs/dbraw/zinc/11/53/40/793115340.db2.gz	QRICDCFAIQKGEB-YJBOKZPZSA-N	1	0	354.454	1.459	20	30		FDEDRO
N#C[C@H]1CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CCN1C1CC1	ZINC000377944357	793173080	/nfs/dbraw/zinc/17/30/80/793173080.db2.gz	FAHYPVZGRHQATC-FQEVSTJZSA-N	1	0	367.497	1.397	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C[NH3+]	ZINC000415855713	793191169	/nfs/dbraw/zinc/19/11/69/793191169.db2.gz	YUTUJYTZXRWBNU-ZYHUDNBSSA-N	1	0	368.359	1.959	20	30		FDEDRO
N#Cc1cccc(-c2csc(NC(=O)C(=O)N[C@H]3CCCC[NH2+]C3)n2)c1	ZINC000415871921	793264647	/nfs/dbraw/zinc/26/46/47/793264647.db2.gz	RIRZEXMTSMHCRX-AWEZNQCLSA-N	1	0	369.450	1.879	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1C(F)(F)F	ZINC000415885255	793270395	/nfs/dbraw/zinc/27/03/95/793270395.db2.gz	FHKWTSBFXYAMCQ-NWDGAFQWSA-N	1	0	366.343	1.583	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnc(C3CC3)nc2)C[C@H]1C	ZINC001104759479	793507471	/nfs/dbraw/zinc/50/74/71/793507471.db2.gz	LNBYCSPMMZVZQA-NVXWUHKLSA-N	1	0	356.470	1.692	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnon3)C2)cc1	ZINC001104767759	793550431	/nfs/dbraw/zinc/55/04/31/793550431.db2.gz	CTMPJKYWYJFOOM-NVXWUHKLSA-N	1	0	368.437	1.970	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ccnn3C)C2)nn1	ZINC001104769345	793555953	/nfs/dbraw/zinc/55/59/53/793555953.db2.gz	QIHTWJZUZSNRTJ-HUUCEWRRSA-N	1	0	357.462	1.086	20	30		FDEDRO
C=CCNC(=O)CN1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1	ZINC000416123000	793664854	/nfs/dbraw/zinc/66/48/54/793664854.db2.gz	KTPZOLBOBNLPNF-GOSISDBHSA-N	1	0	358.486	1.126	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(C)CCOCC2)C[C@H]1C	ZINC001104796660	793736436	/nfs/dbraw/zinc/73/64/36/793736436.db2.gz	VIXFWDZHCBCHAR-BRWVUGGUSA-N	1	0	363.502	1.015	20	30		FDEDRO
CN(CC(=O)N[C@](C)(C#N)C1CC1)C1CC[NH+](Cc2ccncc2)CC1	ZINC000378299538	793913675	/nfs/dbraw/zinc/91/36/75/793913675.db2.gz	PQAIEBWQKWDOTP-HXUWFJFHSA-N	1	0	355.486	1.786	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)c2cn(C[C@H]3CCOC3)nn2)C[C@H]1C	ZINC001104852491	794076285	/nfs/dbraw/zinc/07/62/85/794076285.db2.gz	RCWKQXOWBWREBI-BRWVUGGUSA-N	1	0	361.490	1.579	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCCc2nc(-c3ccccc3)nn2C)CC1	ZINC000378400095	794088375	/nfs/dbraw/zinc/08/83/75/794088375.db2.gz	SHYYORWDMZOSTQ-UHFFFAOYSA-N	1	0	351.454	1.486	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)S(=O)(=O)CC)C[C@H]1C	ZINC001104856800	794091088	/nfs/dbraw/zinc/09/10/88/794091088.db2.gz	GHCPVHFEJIRWQR-TZMCWYRMSA-N	1	0	365.927	1.095	20	30		FDEDRO
N#C[C@@]1(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CCc2ccccc2C1	ZINC000378454193	794170285	/nfs/dbraw/zinc/17/02/85/794170285.db2.gz	XXSNEYISBUXBAF-DYESRHJHSA-N	1	0	353.466	1.866	20	30		FDEDRO
CC[C@@H](CC(C)C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104882740	794198447	/nfs/dbraw/zinc/19/84/47/794198447.db2.gz	JMWJKZHVNLKMRR-IXDOHACOSA-N	1	0	350.507	1.773	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(C(=O)c3ccncc3)C2)CC1	ZINC000363853822	794262658	/nfs/dbraw/zinc/26/26/58/794262658.db2.gz	KYYCZTKWZLWPFG-QGZVFWFLSA-N	1	0	357.458	1.246	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1CC[NH2+]CC#Cc1ccccc1	ZINC001104929411	794444465	/nfs/dbraw/zinc/44/44/65/794444465.db2.gz	SZIBBTWIGHFWLM-QRQLOZEOSA-N	1	0	353.466	1.391	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc2c1OCCC2=O	ZINC000363895872	794473978	/nfs/dbraw/zinc/47/39/78/794473978.db2.gz	VYYBJGLYQCENBV-UHFFFAOYSA-N	1	0	372.425	1.284	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccc(OC)cc2)C[C@H]1C	ZINC001104944853	794506298	/nfs/dbraw/zinc/50/62/98/794506298.db2.gz	YNDFRYRQCPUCHZ-SOLBZPMBSA-N	1	0	371.481	1.521	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C[C@H]1C	ZINC001104952057	794535223	/nfs/dbraw/zinc/53/52/23/794535223.db2.gz	DRTYYCNORKHKES-BFYDXBDKSA-N	1	0	357.520	1.109	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](O)COC)C1	ZINC001104954724	794552485	/nfs/dbraw/zinc/55/24/85/794552485.db2.gz	PNPRTAHJGGJUQA-NSISKUIASA-N	1	0	358.482	1.292	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC)C2)CCOCC1	ZINC001104959564	794593586	/nfs/dbraw/zinc/59/35/86/794593586.db2.gz	HFSWSFMYOMOOHJ-IAGOWNOFSA-N	1	0	365.518	1.570	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)c2ccco2)C[C@H]1C	ZINC001104976694	794671726	/nfs/dbraw/zinc/67/17/26/794671726.db2.gz	XSNCFNLXYLQPDW-HZPDHXFCSA-N	1	0	363.458	1.286	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nc1	ZINC000974190881	794703766	/nfs/dbraw/zinc/70/37/66/794703766.db2.gz	QJQXJBSSYPKBNT-UIBIWLFHSA-N	1	0	354.454	1.170	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CCC(=O)N2CCOCC2)C[C@H]1C	ZINC001104979180	794720607	/nfs/dbraw/zinc/72/06/07/794720607.db2.gz	OFJZOWXGBSTZGX-QZTJIDSGSA-N	1	0	365.518	1.666	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C[C@H]1C	ZINC001104996795	794800092	/nfs/dbraw/zinc/80/00/92/794800092.db2.gz	LFZXWQPFADOJDE-KURKYZTESA-N	1	0	359.514	1.875	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1cccc(F)c1I	ZINC000721691597	794900380	/nfs/dbraw/zinc/90/03/80/794900380.db2.gz	KDFNRXBWAOSEQN-UHFFFAOYSA-N	1	0	360.170	1.725	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cccn2CC)C[C@H]1C	ZINC001105017321	794936702	/nfs/dbraw/zinc/93/67/02/794936702.db2.gz	ANFHLPSWQGCQMJ-BRWVUGGUSA-N	1	0	358.486	1.334	20	30		FDEDRO
Cc1cc(NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c(C#N)cc1N(C)C	ZINC000417151787	795012289	/nfs/dbraw/zinc/01/22/89/795012289.db2.gz	HVBNOQJMBKBGGC-INIZCTEOSA-N	1	0	359.474	1.901	20	30		FDEDRO
Cc1ccccc1[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001105050765	795067347	/nfs/dbraw/zinc/06/73/47/795067347.db2.gz	XYQXRBQNMJEPFA-KZNAEPCWSA-N	1	0	370.497	1.813	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1	ZINC000974295978	795089043	/nfs/dbraw/zinc/08/90/43/795089043.db2.gz	PMIXWDVRGNAQKW-ILOCAZANSA-N	1	0	363.502	1.461	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCC[C@H](C)C1	ZINC001111482730	806394786	/nfs/dbraw/zinc/39/47/86/806394786.db2.gz	SOFNCUGYKXGMJH-MLHJIOFPSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC(C)(C)C)C1	ZINC001105089954	795232201	/nfs/dbraw/zinc/23/22/01/795232201.db2.gz	CFDNFBBEKVVTQL-IXDOHACOSA-N	1	0	367.534	1.957	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC(C)(C)C)C1	ZINC001105089953	795232335	/nfs/dbraw/zinc/23/23/35/795232335.db2.gz	CFDNFBBEKVVTQL-BRWVUGGUSA-N	1	0	367.534	1.957	20	30		FDEDRO
C=C(C)Cn1c(-c2ncccn2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1	ZINC000417503635	795253606	/nfs/dbraw/zinc/25/36/06/795253606.db2.gz	LYKQYNFKPWHWOJ-IYBDPMFKSA-N	1	0	371.489	1.857	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(F)s2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001105098757	795285894	/nfs/dbraw/zinc/28/58/94/795285894.db2.gz	RJTVAWVUKQAICE-VXGBXAGGSA-N	1	0	352.435	1.215	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)CC[C@]2(C)CCC(=O)N2)C[C@H]1C	ZINC001105119791	795344504	/nfs/dbraw/zinc/34/45/04/795344504.db2.gz	BKEJXJKKVPVRBF-HLIPFELVSA-N	1	0	363.502	1.159	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC2(C)C)C[C@H]1c1ccccc1	ZINC001211653753	795371256	/nfs/dbraw/zinc/37/12/56/795371256.db2.gz	WBSSTIOQRWMTKC-GBESFXJTSA-N	1	0	367.493	1.756	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1c1ccccc1	ZINC001211655577	795707313	/nfs/dbraw/zinc/70/73/13/795707313.db2.gz	PBHNHWYMLQQNPG-CEXWTWQISA-N	1	0	371.481	1.252	20	30		FDEDRO
N#Cc1c(N)n(-c2ccc(F)cc2)nc1CCCNC(=O)NCCC[NH3+]	ZINC000418317474	795776773	/nfs/dbraw/zinc/77/67/73/795776773.db2.gz	YOFNQZDIHLNGEF-UHFFFAOYSA-N	1	0	359.409	1.046	20	30		FDEDRO
N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)N[C@@H](C[NH3+])C2CC2)CC1	ZINC000418397385	795865063	/nfs/dbraw/zinc/86/50/63/795865063.db2.gz	JBZOIHYVLCOCDD-ZDUSSCGKSA-N	1	0	370.413	1.375	20	30		FDEDRO
COc1cccc(C2=NO[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)C2)c1	ZINC000194176766	795940054	/nfs/dbraw/zinc/94/00/54/795940054.db2.gz	NTWBHXXMURFEHW-SFHVURJKSA-N	1	0	358.442	1.882	20	30		FDEDRO
Cc1ccc(-n2nc(CCCNC(=O)NC[C@H](C)C[NH3+])c(C#N)c2N)cc1	ZINC000418471426	795964695	/nfs/dbraw/zinc/96/46/95/795964695.db2.gz	MEANBZNQMBTCDC-CQSZACIVSA-N	1	0	369.473	1.461	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1	ZINC000979856819	806565772	/nfs/dbraw/zinc/56/57/72/806565772.db2.gz	PSTMUOWGLLYNKX-TXTZMMAHSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1	ZINC000980062371	806718094	/nfs/dbraw/zinc/71/80/94/806718094.db2.gz	GEGYDPBNUBFMOV-QAETUUGQSA-N	1	0	361.486	1.074	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cn1	ZINC000980083431	806742676	/nfs/dbraw/zinc/74/26/76/806742676.db2.gz	BOCFIEJHDCYFIV-UDTPNQRGSA-N	1	0	368.481	1.418	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)CC1(C)C	ZINC000974589021	799853633	/nfs/dbraw/zinc/85/36/33/799853633.db2.gz	RSPSQPKXBVSDHD-FGTMMUONSA-N	1	0	360.502	1.770	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cccc(C(N)=O)c2)C1	ZINC001026849929	800016815	/nfs/dbraw/zinc/01/68/15/800016815.db2.gz	JEHLBHRPRLTDET-QRQLOZEOSA-N	1	0	371.481	1.705	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nn(C)cc2Cl)C1	ZINC001026850210	800020567	/nfs/dbraw/zinc/02/05/67/800020567.db2.gz	PHFBOPCDHMWTCY-CPUCHLNUSA-N	1	0	366.893	1.993	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)C[C@H]4CC[N@@H+](C)C4)C[C@H]32)cn1	ZINC000974679701	800060606	/nfs/dbraw/zinc/06/06/06/800060606.db2.gz	LXNLNOCJPBGFBI-SZVBFZGTSA-N	1	0	366.465	1.078	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]3C2)cc1	ZINC000974683817	800081885	/nfs/dbraw/zinc/08/18/85/800081885.db2.gz	MUFXXCGKVIIYEM-VAMGGRTRSA-N	1	0	367.493	1.927	20	30		FDEDRO
CC#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C(C)(C)C1	ZINC000974691989	800097506	/nfs/dbraw/zinc/09/75/06/800097506.db2.gz	MPXNTPJRDXZXLI-IXDOHACOSA-N	1	0	358.486	1.738	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(C)CCc3ccccc31)C2	ZINC001111482712	800116949	/nfs/dbraw/zinc/11/69/49/800116949.db2.gz	SAZABQSYRXYVSY-GZHDQSLTSA-N	1	0	367.493	1.914	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@@H](C4CC4)[NH+](C)C)C[C@H]32)cc1	ZINC000974705997	800160743	/nfs/dbraw/zinc/16/07/43/800160743.db2.gz	LWZPXZHUTUXAOD-VAMGGRTRSA-N	1	0	365.477	1.681	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccoc2CC(N)=O)C[C@H]1c1ccccc1	ZINC001211660148	800319668	/nfs/dbraw/zinc/31/96/68/800319668.db2.gz	XDHUYWXHIKPKHE-ZWKOTPCHSA-N	1	0	365.433	1.529	20	30		FDEDRO
C=CC[C@@]1(C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)CCC[NH2+]1	ZINC000662550025	806843765	/nfs/dbraw/zinc/84/37/65/806843765.db2.gz	XVNORFOTWUUIIM-SFHVURJKSA-N	1	0	360.462	1.318	20	30		FDEDRO
C=CC[C@]1(C(=O)Nc2cc(C(=O)NCCC(N)=O)ccc2F)CCC[NH2+]1	ZINC000662571326	806848392	/nfs/dbraw/zinc/84/83/92/806848392.db2.gz	MPZVQYHAJRNPSV-GOSISDBHSA-N	1	0	362.405	1.068	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C(C)(C)C1	ZINC000975032113	800787554	/nfs/dbraw/zinc/78/75/54/800787554.db2.gz	UXJRCENBMUMXIB-GVDBMIGSSA-N	1	0	361.486	1.006	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1	ZINC000660627439	800849946	/nfs/dbraw/zinc/84/99/46/800849946.db2.gz	SMPUHLGYZWRWOY-INIZCTEOSA-N	1	0	350.507	1.927	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3OCC[C@H]3C)C2)cc1C#N	ZINC001027071785	800878398	/nfs/dbraw/zinc/87/83/98/800878398.db2.gz	QUOHJTAPGKBBJI-OGWOLHLISA-N	1	0	357.454	1.930	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nc(CC(C)C)no2)C1	ZINC001027074637	800885864	/nfs/dbraw/zinc/88/58/64/800885864.db2.gz	CXRTWILNMMFSND-XHSDSOJGSA-N	1	0	362.474	1.797	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2c(C)nn(C)c2Cl)C1	ZINC001027075293	800887752	/nfs/dbraw/zinc/88/77/52/800887752.db2.gz	QOKALAJANDIXGL-LZWOXQAQSA-N	1	0	366.893	1.911	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nc(CC3CC3)no2)C1	ZINC001027076367	800891496	/nfs/dbraw/zinc/89/14/96/800891496.db2.gz	LTXPGLOZUZCMQA-OAGGEKHMSA-N	1	0	360.458	1.551	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2csnc2OC)C1	ZINC001027076351	800891543	/nfs/dbraw/zinc/89/15/43/800891543.db2.gz	LIXMCPPASRBNIZ-CFVMTHIKSA-N	1	0	351.472	1.681	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nc(CC)no2)C1	ZINC001027114139	800978654	/nfs/dbraw/zinc/97/86/54/800978654.db2.gz	QPCKMOIVLKGEFV-VKJFTORMSA-N	1	0	362.474	1.941	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cn(C(C)C)nn2)C1	ZINC001027117412	801016667	/nfs/dbraw/zinc/01/66/67/801016667.db2.gz	XUBLVVLZLFXGQG-NJAFHUGGSA-N	1	0	361.490	1.778	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1	ZINC000975366022	801201632	/nfs/dbraw/zinc/20/16/32/801201632.db2.gz	SJHUCJAHQZEORR-NXHRZFHOSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[C@H]1C(=O)N(C)C)C2	ZINC001112530829	806899593	/nfs/dbraw/zinc/89/95/93/806899593.db2.gz	PRQMZVJFGWMSSU-KRXQYRFLSA-N	1	0	353.894	1.682	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H](CNC(=O)[C@]34C[C@H]3CCC4)C2)CC1	ZINC000975438544	801320175	/nfs/dbraw/zinc/32/01/75/801320175.db2.gz	SPFQFFXITCGGDC-SFGWALBWSA-N	1	0	371.525	1.877	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1	ZINC000660865388	801868438	/nfs/dbraw/zinc/86/84/38/801868438.db2.gz	TYHHKTUYPQIQAS-MSOLQXFVSA-N	1	0	350.507	1.391	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CCN(C(=O)C[NH+]4CCCC4)C[C@@H]32)cn1	ZINC000975715111	802104532	/nfs/dbraw/zinc/10/45/32/802104532.db2.gz	UFNOTLXNVVFVJG-LPHOPBHVSA-N	1	0	366.465	1.222	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)C(C)(C)C=C)C[C@@H]32)CC1	ZINC000975849276	802595729	/nfs/dbraw/zinc/59/57/29/802595729.db2.gz	ALYUOOVJABKQDA-HKUYNNGSSA-N	1	0	371.525	1.993	20	30		FDEDRO
C=CCN(CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@H](C)COC	ZINC000661245234	803096036	/nfs/dbraw/zinc/09/60/36/803096036.db2.gz	ZIGFDZJHZXPOBI-GOSISDBHSA-N	1	0	367.534	1.661	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCC[N@H+]2C)nc1	ZINC000976411074	803330873	/nfs/dbraw/zinc/33/08/73/803330873.db2.gz	FCFQQUFCJKOPPZ-NUJGCVRESA-N	1	0	354.454	1.314	20	30		FDEDRO
C=CC[C@]1(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)CCC[NH2+]1	ZINC000662812136	803426898	/nfs/dbraw/zinc/42/68/98/803426898.db2.gz	QXBKECKXQVLIFW-MRXNPFEDSA-N	1	0	373.425	1.058	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@H]21	ZINC000976589652	803570687	/nfs/dbraw/zinc/57/06/87/803570687.db2.gz	NEHOTBAMVLSBJW-MNWMBMHPSA-N	1	0	361.486	1.025	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@H]21	ZINC000976592011	803582334	/nfs/dbraw/zinc/58/23/34/803582334.db2.gz	IHDQOWGTEJGJFV-ZXXIGWHRSA-N	1	0	361.486	1.025	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[N@@H+](C)C2)cn1	ZINC000976695934	803768695	/nfs/dbraw/zinc/76/86/95/803768695.db2.gz	JPQFOFPNADSVOR-CGTJXYLNSA-N	1	0	354.454	1.172	20	30		FDEDRO
N#C[C@@]1(C(=O)N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)CC2CCC1CC2	ZINC000909365057	803954365	/nfs/dbraw/zinc/95/43/65/803954365.db2.gz	FKUHYPJASYEOHC-TXTJOAKRSA-N	1	0	358.486	1.519	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@]13C[C@H]1CCCC3)C2	ZINC001112525717	804399166	/nfs/dbraw/zinc/39/91/66/804399166.db2.gz	DRMQRANKHQQOSR-GIYDNNGJSA-N	1	0	358.486	1.425	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C[N@H+]2CCC[C@H]2C)c1	ZINC000977170689	804506215	/nfs/dbraw/zinc/50/62/15/804506215.db2.gz	VTBUKHASZCDMBF-ATZDWAIDSA-N	1	0	368.481	1.704	20	30		FDEDRO
C=CC[C@]1(C(=O)NC[C@H]2CN(C)CCN2Cc2ccccc2)CCC[NH2+]1	ZINC000662941543	804589983	/nfs/dbraw/zinc/58/99/83/804589983.db2.gz	XJMIOQYZIIZHEI-PZJWPPBQSA-N	1	0	356.514	1.617	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](CC(C)C)OC)C2	ZINC001112526265	804605423	/nfs/dbraw/zinc/60/54/23/804605423.db2.gz	ZMRVYKSGXJDZKK-ZWOKBUDYSA-N	1	0	363.502	1.015	20	30		FDEDRO
C=CC[N@H+](CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)C(C)(C)C	ZINC000661759186	804822328	/nfs/dbraw/zinc/82/23/28/804822328.db2.gz	CQIRJIYIDKJKEP-UHFFFAOYSA-N	1	0	351.472	1.510	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]2CN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)nc1	ZINC000977803349	804965736	/nfs/dbraw/zinc/96/57/36/804965736.db2.gz	CHQOTFPYJKXEBM-ZIFCJYIRSA-N	1	0	368.481	1.466	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1	ZINC000978011388	805122293	/nfs/dbraw/zinc/12/22/93/805122293.db2.gz	YQTIRXKHOFFWNY-KSZLIROESA-N	1	0	368.437	1.598	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O	ZINC000504074153	815052507	/nfs/dbraw/zinc/05/25/07/815052507.db2.gz	HSQMDJSTVGKWQE-QGZVFWFLSA-N	1	0	372.469	1.200	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccn2c[nH+]cc2c1	ZINC000978075591	805170552	/nfs/dbraw/zinc/17/05/52/805170552.db2.gz	VVHWSYDGFHXDCW-NXHRZFHOSA-N	1	0	368.437	1.598	20	30		FDEDRO
C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1	ZINC000423364034	815054968	/nfs/dbraw/zinc/05/49/68/815054968.db2.gz	JGNYQISIXVRSSK-LJQANCHMSA-N	1	0	370.497	1.097	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(OC)nc3)C[C@H]21	ZINC000978170468	805268417	/nfs/dbraw/zinc/26/84/17/805268417.db2.gz	WGQPHKCDJJMLGJ-QQXKLLMISA-N	1	0	371.481	1.865	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1CCCN1Cc1cc(C#N)ccc1F	ZINC001027943114	807044517	/nfs/dbraw/zinc/04/45/17/807044517.db2.gz	MTMRPTMJTBZQCL-XCRHUMRWSA-N	1	0	361.417	1.582	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cn[nH]c(=O)c2)C1	ZINC001087430167	807045635	/nfs/dbraw/zinc/04/56/35/807045635.db2.gz	ADZCWIYZNDLRCM-QZTJIDSGSA-N	1	0	350.422	1.793	20	30		FDEDRO
CC#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@]2(C)CCNC(=O)C2)C1	ZINC001087430403	807051355	/nfs/dbraw/zinc/05/13/55/807051355.db2.gz	MXDWCAAWPOTNJO-KNKQGSTJSA-N	1	0	367.493	1.900	20	30		FDEDRO
C#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CCN(C)C2=O)C1	ZINC001087430535	807057817	/nfs/dbraw/zinc/05/78/17/807057817.db2.gz	UYSQZLUGQZGKRN-IPMKNSEASA-N	1	0	353.466	1.462	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CN2CCCNC2=O)C1	ZINC001087431251	807188889	/nfs/dbraw/zinc/18/88/89/807188889.db2.gz	GOQALIQGCXAVRU-QZTJIDSGSA-N	1	0	356.470	1.562	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1	ZINC000423533520	815105379	/nfs/dbraw/zinc/10/53/79/815105379.db2.gz	XSBSSLVOXFRIKN-MANSERQUSA-N	1	0	366.465	1.353	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC[C@@H]1[NH3+]	ZINC000423519655	815109865	/nfs/dbraw/zinc/10/98/65/815109865.db2.gz	DJTPXYWWFGCIHR-LAVFITLUSA-N	1	0	354.454	1.480	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)C1	ZINC000423521631	815111261	/nfs/dbraw/zinc/11/12/61/815111261.db2.gz	GIMDLHAYDFFBOO-HPBDAGMYSA-N	1	0	354.454	1.480	20	30		FDEDRO
O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N1CCC2(CC[NH2+]2)CC1	ZINC000423557860	815114986	/nfs/dbraw/zinc/11/49/86/815114986.db2.gz	IEMDFFMNCRHAFS-UHFFFAOYSA-N	1	0	374.444	1.774	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1	ZINC000423558806	815115042	/nfs/dbraw/zinc/11/50/42/815115042.db2.gz	DDZVUXJUKHQBJB-WMLDXEAASA-N	1	0	354.454	1.635	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](C[C@@H]2CCc3ncnn32)CC1	ZINC000981190034	807688917	/nfs/dbraw/zinc/68/89/17/807688917.db2.gz	MONQZZXVEKYCGJ-BBWFWOEESA-N	1	0	359.474	1.281	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C(=O)N(Cc2ccc(C#N)cc2)C2CC2)C[C@@H]1C[NH3+]	ZINC000423575569	815145126	/nfs/dbraw/zinc/14/51/26/815145126.db2.gz	WAVGLQWDISLERE-PBHICJAKSA-N	1	0	354.454	1.493	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N[C@]2(C)CC[NH2+]C2)cc1	ZINC000663613427	807870319	/nfs/dbraw/zinc/87/03/19/807870319.db2.gz	FOBDELBQYWHCNU-HXUWFJFHSA-N	1	0	370.453	1.308	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)[nH]1	ZINC000981412677	808028398	/nfs/dbraw/zinc/02/83/98/808028398.db2.gz	TZBSMYBDKSINFH-LXZKKBNFSA-N	1	0	369.469	1.243	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC2)c(F)c1	ZINC000423644881	815176046	/nfs/dbraw/zinc/17/60/46/815176046.db2.gz	KDCMUNDJZQNMCW-CQSZACIVSA-N	1	0	374.416	1.017	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@@H]3CC34CCC4)C2)CC1	ZINC000981544884	808116054	/nfs/dbraw/zinc/11/60/54/808116054.db2.gz	UKDVXRQEXTXVHR-UHOSZYNNSA-N	1	0	371.525	1.923	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3ccoc3)C2)CC1	ZINC000981544878	808116210	/nfs/dbraw/zinc/11/62/10/808116210.db2.gz	UEHRDIJJJJVZNY-MAUKXSAKSA-N	1	0	357.454	1.640	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1	ZINC000981540302	808126833	/nfs/dbraw/zinc/12/68/33/808126833.db2.gz	GBYUHYHSQBFOOJ-LESCRADOSA-N	1	0	371.485	1.775	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)CC(=O)N1CCCC1)C(C)C	ZINC000663669300	808424213	/nfs/dbraw/zinc/42/42/13/808424213.db2.gz	WHRSYIWDKPSINK-KRWDZBQOSA-N	1	0	350.507	1.949	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1	ZINC000423720593	815213403	/nfs/dbraw/zinc/21/34/03/815213403.db2.gz	DHRDJJXITQILIT-RTBURBONSA-N	1	0	368.481	1.897	20	30		FDEDRO
CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCOCc1ccc(C#N)cc1	ZINC000423726914	815216599	/nfs/dbraw/zinc/21/65/99/815216599.db2.gz	USNXNFYISIKETP-GOSISDBHSA-N	1	0	372.469	1.134	20	30		FDEDRO
C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC001028190776	808944875	/nfs/dbraw/zinc/94/48/75/808944875.db2.gz	AIRLLDRIYBLTQI-ZIFCJYIRSA-N	1	0	354.454	1.205	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCN1Cc1c(C)nnn1CC	ZINC001028195306	808972364	/nfs/dbraw/zinc/97/23/64/808972364.db2.gz	MZACKWBXCRTYFO-BQFCYCMXSA-N	1	0	361.490	1.668	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCn1nc(C)nc1C	ZINC001028195559	808976491	/nfs/dbraw/zinc/97/64/91/808976491.db2.gz	QTKKYJHJDWVXNY-SQNIBIBYSA-N	1	0	361.490	1.457	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCCN(C)C(C)=O)C[C@H]1c1ccccc1	ZINC001211715646	809142984	/nfs/dbraw/zinc/14/29/84/809142984.db2.gz	HJXLAUHWWISCBJ-VQTJNVASSA-N	1	0	355.482	1.852	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H]2CN(CCn3cnc4ccccc4c3=O)C[C@H]21	ZINC001075621104	809181577	/nfs/dbraw/zinc/18/15/77/809181577.db2.gz	OITSJHWHSZRPNV-RLFYNMQTSA-N	1	0	365.437	1.089	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](CCc3ccc4c(c3)OCCO4)C[C@H]21	ZINC001075621159	809181939	/nfs/dbraw/zinc/18/19/39/809181939.db2.gz	QEUBLIZSQNZVJK-HYVNUMGLSA-N	1	0	355.438	1.693	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CNC(=O)C2CCCCC2)C[C@H]1c1ccccc1	ZINC001211718454	809214142	/nfs/dbraw/zinc/21/41/42/809214142.db2.gz	NTHXOCTVOYIQRK-VQTJNVASSA-N	1	0	367.493	1.900	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1c1ccccc1	ZINC001211718646	809223122	/nfs/dbraw/zinc/22/31/22/809223122.db2.gz	ZGUDQFMFXXAGDZ-PKOBYXMFSA-N	1	0	366.465	1.944	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CNC(=O)c2cccs2)C[C@H]1c1ccccc1	ZINC001211718650	809223770	/nfs/dbraw/zinc/22/37/70/809223770.db2.gz	ZMJYCLOTTLTBRA-DLBZAZTESA-N	1	0	367.474	1.695	20	30		FDEDRO
N#CCC1(CNC(=O)C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC1	ZINC000418837183	809257181	/nfs/dbraw/zinc/25/71/81/809257181.db2.gz	VVTCUJVOPSGQQJ-KRWDZBQOSA-N	1	0	350.422	1.766	20	30		FDEDRO
CCCN(C(=O)C(=O)NCCSCc1ccccc1C#N)[C@H]1CC[NH2+]C1	ZINC000418927726	809321610	/nfs/dbraw/zinc/32/16/10/809321610.db2.gz	TUZIRPYQMYXJJN-KRWDZBQOSA-N	1	0	374.510	1.508	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1c1ccccc1	ZINC001211724030	809337946	/nfs/dbraw/zinc/33/79/46/809337946.db2.gz	IGYSZCMZGDYCDZ-DLBZAZTESA-N	1	0	365.499	1.086	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cncc(C(N)=O)c2)C[C@H]1c1ccccc1	ZINC001211724062	809337966	/nfs/dbraw/zinc/33/79/66/809337966.db2.gz	KKYFBNQGNARWNM-RBUKOAKNSA-N	1	0	364.449	1.954	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1	ZINC000419061439	809503751	/nfs/dbraw/zinc/50/37/51/809503751.db2.gz	UYFHIULYIOVKHF-FCGDIQPGSA-N	1	0	355.482	1.794	20	30		FDEDRO
C[NH+]=C(NC[C@@]1(O)CCc2ccccc21)N1CCN(c2ccccn2)CC1	ZINC000261687910	809639540	/nfs/dbraw/zinc/63/95/40/809639540.db2.gz	KMZMPDVGZPAAHZ-NRFANRHFSA-N	1	0	365.481	1.613	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@](C)(Cc2ccc(F)cc2)C(=O)OC)CC1	ZINC000893732982	809681750	/nfs/dbraw/zinc/68/17/50/809681750.db2.gz	SXOVDOHTNMFYHT-FQEVSTJZSA-N	1	0	360.429	1.761	20	30		FDEDRO
CCOc1ccccc1C(=O)N1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1	ZINC000424085415	815309481	/nfs/dbraw/zinc/30/94/81/815309481.db2.gz	CXCDGUMFTGZKME-INIZCTEOSA-N	1	0	358.442	1.391	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(CNC(=O)[C@H]([NH3+])CCCC#N)cc2)C[C@@H](C)O1	ZINC000424109626	815312489	/nfs/dbraw/zinc/31/24/89/815312489.db2.gz	WBXZWZFAPFHOGU-IIDMSEBBSA-N	1	0	372.469	1.573	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C	ZINC000893947083	809829187	/nfs/dbraw/zinc/82/91/87/809829187.db2.gz	VKIHUQMFBKFOOT-QGZVFWFLSA-N	1	0	356.470	1.848	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@H](CC(F)F)NC(=O)OC(C)(C)C)CC1	ZINC000893972851	809838922	/nfs/dbraw/zinc/83/89/22/809838922.db2.gz	GFWXWMMTOBQYRO-AWEZNQCLSA-N	1	0	373.444	1.996	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1CCOC[C@H]1c1noc(-c2ccccc2)n1	ZINC000424186954	815324326	/nfs/dbraw/zinc/32/43/26/815324326.db2.gz	IIYWBWRJBKSHLP-CABCVRRESA-N	1	0	355.398	1.658	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)nn1	ZINC000424158887	815320542	/nfs/dbraw/zinc/32/05/42/815320542.db2.gz	UNWVUNMBYQOCTN-IRXDYDNUSA-N	1	0	355.442	1.738	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCCO)CC[C@@H]2c2cccc(F)c2)[nH]1	ZINC001087454287	810042836	/nfs/dbraw/zinc/04/28/36/810042836.db2.gz	MGPTZVIPFDEMFA-IEBWSBKVSA-N	1	0	370.428	1.996	20	30		FDEDRO
CN(C)C(=[NH+]Cc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1)N(C)C	ZINC000261711061	810171099	/nfs/dbraw/zinc/17/10/99/810171099.db2.gz	DOSSNJPNGCLBPL-IBGZPJMESA-N	1	0	357.458	1.891	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H](c2nccn2C)C(C)(C)CO)CC1	ZINC000664017106	810176310	/nfs/dbraw/zinc/17/63/10/810176310.db2.gz	UDZFMJFILMJIKW-MRXNPFEDSA-N	1	0	363.506	1.819	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2nnn(C)n2)C1	ZINC001087457349	810185437	/nfs/dbraw/zinc/18/54/37/810185437.db2.gz	VXZGCYBMZDZGQP-HZPDHXFCSA-N	1	0	358.421	1.513	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)c1ccc(C#N)cc1	ZINC000419272311	810293904	/nfs/dbraw/zinc/29/39/04/810293904.db2.gz	AVQFCILMDFBVPV-HNNXBMFYSA-N	1	0	350.422	1.723	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@]1(C)C[N@H+](CC#Cc1ccccc1)C2	ZINC000982557121	810334751	/nfs/dbraw/zinc/33/47/51/810334751.db2.gz	KMSQIXWMSOWWKI-OSZJIOELSA-N	1	0	365.477	1.330	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+](C)C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1=O	ZINC000419296193	810349984	/nfs/dbraw/zinc/34/99/84/810349984.db2.gz	RKFVPLVHSIUWQF-YJBOKZPZSA-N	1	0	373.453	1.030	20	30		FDEDRO
C[C@@H]1CC2(CN1C(=O)C(=O)NCCc1cccc(C#N)c1)CC[NH2+]CC2	ZINC000424531329	815381106	/nfs/dbraw/zinc/38/11/06/815381106.db2.gz	WUGPVMVHNVNZOT-OAHLLOKOSA-N	1	0	354.454	1.208	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCc2cnn(CC)c2)C1	ZINC001028549168	810617103	/nfs/dbraw/zinc/61/71/03/810617103.db2.gz	NDOYMYKCTDQURW-QRQLOZEOSA-N	1	0	360.502	1.865	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2c(C)nnn2CC)C1	ZINC001028549395	810617907	/nfs/dbraw/zinc/61/79/07/810617907.db2.gz	PSKNDSKPAQIIDZ-NUJGCVRESA-N	1	0	361.490	1.526	20	30		FDEDRO
CC[NH+](CC)CCOCCNC(=O)N1CCC2(CC1)CC(=O)C=CO2	ZINC000894164666	810653883	/nfs/dbraw/zinc/65/38/83/810653883.db2.gz	SXKQLILRTZGKCZ-UHFFFAOYSA-N	1	0	353.463	1.392	20	30		FDEDRO
COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)cc1	ZINC000424540644	815387730	/nfs/dbraw/zinc/38/77/30/815387730.db2.gz	GRHXNKZSTKQUMF-DHXZDTOLSA-N	1	0	370.453	1.065	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ccc(=O)[nH]n2)C1	ZINC001087462025	810767969	/nfs/dbraw/zinc/76/79/69/810767969.db2.gz	NNLBLCKLYMCGCI-SJLPKXTDSA-N	1	0	368.412	1.933	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)[C@@H]2C1	ZINC000894186785	810859385	/nfs/dbraw/zinc/85/93/85/810859385.db2.gz	UTRYFUHWQVUJEY-BYNSBNAKSA-N	1	0	363.462	1.091	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](O)c4ccccc4F)C[C@H]32)c1	ZINC001075658429	810907738	/nfs/dbraw/zinc/90/77/38/810907738.db2.gz	BRJARDYZKWDVNO-GDIGMMSISA-N	1	0	368.412	1.905	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@@H+](C)C1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000749801108	811156360	/nfs/dbraw/zinc/15/63/60/811156360.db2.gz	AJWZTCMMSOWXCB-UHFFFAOYSA-N	1	0	368.478	1.766	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)nn1	ZINC000424735366	815429251	/nfs/dbraw/zinc/42/92/51/815429251.db2.gz	IWWOLNGYZJVPKP-ROUUACIJSA-N	1	0	369.469	1.467	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)N1CCN(C(=O)c2ccco2)CC1	ZINC000261719330	811304239	/nfs/dbraw/zinc/30/42/39/811304239.db2.gz	WLJSLZDZWMPOBN-OIISXLGYSA-N	1	0	372.469	1.570	20	30		FDEDRO
C[NH+]=C(NC[C@@]1(O)CCc2ccccc21)N1CCO[C@@H](c2cnn(C)c2)C1	ZINC000261768552	811316479	/nfs/dbraw/zinc/31/64/79/811316479.db2.gz	NUGVKFHLCUQVGI-QUCCMNQESA-N	1	0	369.469	1.203	20	30		FDEDRO
C[NH+]=C(N[C@@H]1C[C@H]1Cc1ccccc1)N1CCN(C(C)(C)C(N)=O)CC1	ZINC000261861464	811334102	/nfs/dbraw/zinc/33/41/02/811334102.db2.gz	YLSISQBCMPJKMN-IAGOWNOFSA-N	1	0	357.502	1.075	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN(C(C)=O)C2)C[C@H]1C(F)(F)F	ZINC001112128628	811416236	/nfs/dbraw/zinc/41/62/36/811416236.db2.gz	UCZWUOHJSDXFLC-RRFJBIMHSA-N	1	0	361.408	1.800	20	30		FDEDRO
Cn1c(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)nc2ccccc21	ZINC000262334292	811444793	/nfs/dbraw/zinc/44/47/93/811444793.db2.gz	RYXVJFFAVRKLME-UHFFFAOYSA-N	1	0	350.430	1.000	20	30		FDEDRO
CN(C)C(=O)CNC(=[NH+]C1CCCCC1)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000262346462	811446743	/nfs/dbraw/zinc/44/67/43/811446743.db2.gz	XYYNBUCOFLREDP-OAHLLOKOSA-N	1	0	360.506	1.576	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N(C)Cc1ccccc1OC	ZINC000262751342	811545742	/nfs/dbraw/zinc/54/57/42/811545742.db2.gz	CADFGZAQNGFSAR-OAHLLOKOSA-N	1	0	356.474	1.865	20	30		FDEDRO
C=C(C)COCCNC(=O)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1	ZINC000419406088	811926918	/nfs/dbraw/zinc/92/69/18/811926918.db2.gz	UCAWJAIIKFTPPX-SJORKVTESA-N	1	0	363.433	1.178	20	30		FDEDRO
N#Cc1ccccc1-c1ccc(CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)cc1	ZINC000419645919	812071451	/nfs/dbraw/zinc/07/14/51/812071451.db2.gz	PZFNKGAAFLSXTI-LJQANCHMSA-N	1	0	362.433	1.695	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1	ZINC000419799194	812191235	/nfs/dbraw/zinc/19/12/35/812191235.db2.gz	ZXVBOHRLUKJZMH-UHFFFAOYSA-N	1	0	362.433	1.630	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NCC1([NH3+])CCCCC1	ZINC000419805846	812203551	/nfs/dbraw/zinc/20/35/51/812203551.db2.gz	QVAFUCYXAXBNEB-UHFFFAOYSA-N	1	0	359.470	1.988	20	30		FDEDRO
C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(Cc1ccc(C#N)cc1)C1CC1	ZINC000420044793	813422749	/nfs/dbraw/zinc/42/27/49/813422749.db2.gz	UEQZVSQGYKTEFF-CXAGYDPISA-N	1	0	370.453	1.278	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1	ZINC000420101644	813456865	/nfs/dbraw/zinc/45/68/65/813456865.db2.gz	LZKUNHNWJRHHLN-HXUWFJFHSA-N	1	0	359.470	1.716	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CC[NH2+]1	ZINC000420133434	813472092	/nfs/dbraw/zinc/47/20/92/813472092.db2.gz	SZXLKNVYFNEZET-GDBMZVCRSA-N	1	0	370.453	1.185	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C	ZINC000420144496	813505328	/nfs/dbraw/zinc/50/53/28/813505328.db2.gz	LMIGQXHGLWYPTE-BBRMVZONSA-N	1	0	360.414	1.366	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1	ZINC000420191990	813544275	/nfs/dbraw/zinc/54/42/75/813544275.db2.gz	HYBCOPHHIKZXMD-HIFRSBDPSA-N	1	0	360.414	1.353	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H]2CCS(=O)(=O)C2)C1	ZINC001104165338	813622817	/nfs/dbraw/zinc/62/28/17/813622817.db2.gz	WQHKVIDUEBIIPY-BRWVUGGUSA-N	1	0	354.516	1.155	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C2)cc1	ZINC001104182602	813797677	/nfs/dbraw/zinc/79/76/77/813797677.db2.gz	GVZITVBJSUKIKU-NVXWUHKLSA-N	1	0	357.454	1.262	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)C2CC(OC(C)(C)C)C2)CC1	ZINC000421015472	813905902	/nfs/dbraw/zinc/90/59/02/813905902.db2.gz	SZBIBWCDQZGASB-DAWZGUTISA-N	1	0	364.534	1.957	20	30		FDEDRO
C[C@@H]1CC[C@H](O)C[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000421008267	813911785	/nfs/dbraw/zinc/91/17/85/813911785.db2.gz	IBONRZUTCTVJDW-AYOQOUSVSA-N	1	0	374.460	1.380	20	30		FDEDRO
N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@H]3OCC(=O)N[C@@H]3C1)CCC2	ZINC000366799890	813975765	/nfs/dbraw/zinc/97/57/65/813975765.db2.gz	IJMWUULCCNQPBO-ZIAGYGMSSA-N	1	0	374.466	1.026	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000261836497	813998955	/nfs/dbraw/zinc/99/89/55/813998955.db2.gz	VWMJMOMMHGNVIY-FJIDUMEYSA-N	1	0	362.518	1.174	20	30		FDEDRO
C[NH+](C)CCOc1cccc(NC(=O)C(=O)NCc2ccc(C#N)s2)c1	ZINC000421249898	814023782	/nfs/dbraw/zinc/02/37/82/814023782.db2.gz	VHIKYVMKJCGYLJ-UHFFFAOYSA-N	1	0	372.450	1.815	20	30		FDEDRO
C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCc2ccc(C#N)s2)cc1	ZINC000421248407	814041961	/nfs/dbraw/zinc/04/19/61/814041961.db2.gz	RLKDJCHWNUTCHC-UHFFFAOYSA-N	1	0	372.450	1.815	20	30		FDEDRO
CN(C)C(=O)CN1CCCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1	ZINC000367011925	814237634	/nfs/dbraw/zinc/23/76/34/814237634.db2.gz	ZPAVWJOANXSBEI-UHFFFAOYSA-N	1	0	374.460	1.597	20	30		FDEDRO
Cc1cc(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)nn1CCC#N	ZINC000272113401	814575769	/nfs/dbraw/zinc/57/57/69/814575769.db2.gz	QTUAEBFDNNMWOF-UHFFFAOYSA-N	1	0	360.462	1.872	20	30		FDEDRO
CN(C(=[NH2+])NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)C1CC1	ZINC000273352277	814793278	/nfs/dbraw/zinc/79/32/78/814793278.db2.gz	QOVFBVJZBGVJLL-UHFFFAOYSA-N	1	0	355.421	1.807	20	30		FDEDRO
C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1	ZINC000652729372	814808520	/nfs/dbraw/zinc/80/85/20/814808520.db2.gz	CSVSZUAHOYJYJF-QZTJIDSGSA-N	1	0	359.470	1.414	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21	ZINC000422529537	814826949	/nfs/dbraw/zinc/82/69/49/814826949.db2.gz	PEZFSJOLORDTLD-OTWHNJEPSA-N	1	0	355.482	1.843	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C	ZINC000422546430	814828046	/nfs/dbraw/zinc/82/80/46/814828046.db2.gz	UQSDEBZZCVZGEB-QRVBRYPASA-N	1	0	355.482	1.985	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1	ZINC000503510964	814833220	/nfs/dbraw/zinc/83/32/20/814833220.db2.gz	OEJRMTGGOKGABO-JKSUJKDBSA-N	1	0	372.469	1.918	20	30		FDEDRO
NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1	ZINC001028804936	815730245	/nfs/dbraw/zinc/73/02/45/815730245.db2.gz	HINXZJRYSXPOMW-OIISXLGYSA-N	1	0	359.857	1.251	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cnc(OC)nc2C)C1	ZINC001028809841	815784311	/nfs/dbraw/zinc/78/43/11/815784311.db2.gz	OXBWCZWMQNZEEM-OIISXLGYSA-N	1	0	360.458	1.323	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CC[C@H](c3ccc(OC)c(F)c3)[C@H]([NH3+])C2)nn1	ZINC000425261702	815862003	/nfs/dbraw/zinc/86/20/03/815862003.db2.gz	ZBJMZAXPCIWIBV-GDBMZVCRSA-N	1	0	373.432	1.959	20	30		FDEDRO
C#CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[C@@H]2CCN(C)C2=O)C1	ZINC001087465892	815864333	/nfs/dbraw/zinc/86/43/33/815864333.db2.gz	NWHIZNYKKMNCLC-QXAKKESOSA-N	1	0	371.456	1.601	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCCCC1	ZINC001167957514	815901385	/nfs/dbraw/zinc/90/13/85/815901385.db2.gz	XXZRBVJUOKXRNA-WMZOPIPTSA-N	1	0	351.491	1.466	20	30		FDEDRO
C=C(C)C[NH+](CC)CC(=O)N1CCN(C(=O)C[N@H+](CC)CC(=C)C)CC1	ZINC000514849666	816012650	/nfs/dbraw/zinc/01/26/50/816012650.db2.gz	MBZXJIHIDHYRHY-UHFFFAOYSA-N	1	0	364.534	1.453	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)N1CCC(CC[NH3+])CC1	ZINC000514946666	816037151	/nfs/dbraw/zinc/03/71/51/816037151.db2.gz	OZWAENMGDQTQOX-RTBURBONSA-N	1	0	368.481	1.872	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2ncn(Cc3cccc(F)c3)n2)CC1	ZINC000435981095	816280248	/nfs/dbraw/zinc/28/02/48/816280248.db2.gz	UPFYTZUXHJQSOH-UHFFFAOYSA-N	1	0	372.448	1.915	20	30		FDEDRO
O=C(CC1OCCCO1)N1CC[C@H]2CN(CC#Cc3ccccc3)C[C@H]21	ZINC001075725014	816398118	/nfs/dbraw/zinc/39/81/18/816398118.db2.gz	IGIDYAZWGJEMAM-RBUKOAKNSA-N	1	0	354.450	1.724	20	30		FDEDRO
C=CC[N@@H+]([C@H](C)C(=O)NC(=O)NCC)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000436396427	816478500	/nfs/dbraw/zinc/47/85/00/816478500.db2.gz	XKTZBQPRAQGIQW-ZIAGYGMSSA-N	1	0	371.445	1.446	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)CCCN1C(=O)c2ccccc2C1=O	ZINC000425547038	816514807	/nfs/dbraw/zinc/51/48/07/816514807.db2.gz	SPVJJOZZHUWIEJ-FQEVSTJZSA-N	1	0	370.453	1.659	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC([NH+](CCOC)CCOC)CC1	ZINC000425563708	816538994	/nfs/dbraw/zinc/53/89/94/816538994.db2.gz	JQTCAEUKCHOWNK-WMZOPIPTSA-N	1	0	369.506	1.346	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)N1CCc2ccc(C#N)cc21)[N@@H+]1CCCC[C@H]1C	ZINC000516319577	816754791	/nfs/dbraw/zinc/75/47/91/816754791.db2.gz	CLQMGWMTAMSWMG-CABCVRRESA-N	1	0	354.454	1.826	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)CCn4ccnn4)[C@@H]3C2)c1	ZINC001075732579	816831566	/nfs/dbraw/zinc/83/15/66/816831566.db2.gz	WUUQWSZVYTYRFR-ZWKOTPCHSA-N	1	0	350.426	1.273	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1	ZINC000425794529	817035408	/nfs/dbraw/zinc/03/54/08/817035408.db2.gz	BSSRXRSHDUWUMO-HKUYNNGSSA-N	1	0	371.481	1.971	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)CN2CCC(CO)([NH2+]CC3CC3)CC2)cc1	ZINC000516870961	817074481	/nfs/dbraw/zinc/07/44/81/817074481.db2.gz	SPPKSOOOCMNBRP-SFHVURJKSA-N	1	0	359.470	1.124	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)ccc1OCC[NH+](C)C	ZINC000425806430	817092917	/nfs/dbraw/zinc/09/29/17/817092917.db2.gz	AELIVDBHOZTURY-GOEBONIOSA-N	1	0	358.442	1.682	20	30		FDEDRO
COc1ccc(C[N@@H+]2CCCN(c3ncccc3C(N)=O)CC2)cc1C#N	ZINC000366671165	817127477	/nfs/dbraw/zinc/12/74/77/817127477.db2.gz	YEXXDYITPJAZSD-UHFFFAOYSA-N	1	0	365.437	1.773	20	30		FDEDRO
COC(=O)C1CCN(C(NCc2nnc(C)n2C)=[NH+]C2CCCC2)CC1	ZINC000261945853	817197519	/nfs/dbraw/zinc/19/75/19/817197519.db2.gz	FUXFIVACUVOHID-UHFFFAOYSA-N	1	0	362.478	1.397	20	30		FDEDRO
N#C[C@H]1CC[C@@H](NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)C1	ZINC000425835813	817209838	/nfs/dbraw/zinc/20/98/38/817209838.db2.gz	AWWBTSYSGIYOHP-INDMIFKZSA-N	1	0	356.470	1.861	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1	ZINC000425865292	817259333	/nfs/dbraw/zinc/25/93/33/817259333.db2.gz	CPPHRQOICWTGOF-HNNXBMFYSA-N	1	0	360.458	1.162	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1	ZINC000425891394	817330371	/nfs/dbraw/zinc/33/03/71/817330371.db2.gz	PAKBJPJIFUMHKZ-LULLPPNCSA-N	1	0	371.481	1.473	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1	ZINC000425906962	817359046	/nfs/dbraw/zinc/35/90/46/817359046.db2.gz	AODHPGBGXXGOBK-LAQRGFTBSA-N	1	0	361.486	1.169	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@@H](C#N)CCc3ccccc3)CC2)C1=O	ZINC000517374615	817416336	/nfs/dbraw/zinc/41/63/36/817416336.db2.gz	JVUYDSRFLQOHQG-IEBWSBKVSA-N	1	0	368.481	1.570	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1C#N	ZINC000517713749	817553296	/nfs/dbraw/zinc/55/32/96/817553296.db2.gz	AXFYDMNEAPDFBZ-FQEVSTJZSA-N	1	0	370.453	1.886	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)C(F)F)CC1	ZINC000983426337	817634949	/nfs/dbraw/zinc/63/49/49/817634949.db2.gz	CJSHNZWNOCPUKN-HIFRSBDPSA-N	1	0	355.429	1.340	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCCCCC[NH+]2CCCC2)nn1CCC#N	ZINC000293638821	817649469	/nfs/dbraw/zinc/64/94/69/817649469.db2.gz	HLTGABCFMXHNEW-UHFFFAOYSA-N	1	0	360.462	1.426	20	30		FDEDRO
C#CCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1	ZINC001087473290	818210068	/nfs/dbraw/zinc/21/00/68/818210068.db2.gz	XBOJWCDOIXCTBD-SLFFLAALSA-N	1	0	355.482	1.697	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CCN(C)C2=O)C1	ZINC001087475714	818333672	/nfs/dbraw/zinc/33/36/72/818333672.db2.gz	YFKZWILQQJUNBE-FHWLQOOXSA-N	1	0	371.481	1.634	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000983648475	818361645	/nfs/dbraw/zinc/36/16/45/818361645.db2.gz	JLDMOYDBIIKBSE-DTZQCDIJSA-N	1	0	358.398	1.216	20	30		FDEDRO
CC#CCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1	ZINC001087476808	818391534	/nfs/dbraw/zinc/39/15/34/818391534.db2.gz	HIRNXWRHWSDWKJ-JBACZVJFSA-N	1	0	369.509	1.944	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]Cc2ncnn2C)CC1	ZINC001029102375	818611471	/nfs/dbraw/zinc/61/14/71/818611471.db2.gz	YQAKQXHGBYSDGV-OIISXLGYSA-N	1	0	361.490	1.513	20	30		FDEDRO
Cc1cc(C(=O)NCCC[NH+]2CCC(O)CC2)nn1-c1cccc(C#N)c1	ZINC000507305151	818727901	/nfs/dbraw/zinc/72/79/01/818727901.db2.gz	UJLZAGMACQJYHH-UHFFFAOYSA-N	1	0	367.453	1.629	20	30		FDEDRO
C=CCn1cc(-c2nc(-c3ccc(N4CC[NH+](C)CC4)cn3)no2)nn1	ZINC000664942737	818973932	/nfs/dbraw/zinc/97/39/32/818973932.db2.gz	BQWFGKXUDSELIK-UHFFFAOYSA-N	1	0	352.402	1.328	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC000937418308	819020477	/nfs/dbraw/zinc/02/04/77/819020477.db2.gz	XBDKYGNBJVXCCP-XYJFISCASA-N	1	0	371.485	1.728	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](Cc2cc3ccccc3o2)C(=O)OC)CC1	ZINC000894913736	819352007	/nfs/dbraw/zinc/35/20/07/819352007.db2.gz	IZMUAVKRQAUTGE-GOSISDBHSA-N	1	0	368.433	1.978	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](Cc2cc3ccccc3o2)C(=O)OC)CC1	ZINC000894913737	819352266	/nfs/dbraw/zinc/35/22/66/819352266.db2.gz	IZMUAVKRQAUTGE-SFHVURJKSA-N	1	0	368.433	1.978	20	30		FDEDRO
Cc1noc(CN2CCN(C(=O)NCC3CC[NH+](C4CC4)CC3)CC2)n1	ZINC000328605522	819516950	/nfs/dbraw/zinc/51/69/50/819516950.db2.gz	JQMIPQNQLUUZKP-UHFFFAOYSA-N	1	0	362.478	1.284	20	30		FDEDRO
C[C@@H](O)CN1CCN(C(=O)Nc2cn(Cc3ccccc3)nn2)C[C@H]1C	ZINC000328743148	819542674	/nfs/dbraw/zinc/54/26/74/819542674.db2.gz	NFPFXLOCESNNCE-HUUCEWRRSA-N	1	0	358.446	1.259	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CCC(OCCO)CC1	ZINC000328812481	819552132	/nfs/dbraw/zinc/55/21/32/819552132.db2.gz	NBZXUBUOUGOHJU-MSOLQXFVSA-N	1	0	369.506	1.142	20	30		FDEDRO
Cn1nccc1[C@H]1[C@@H](C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC(=O)N1C	ZINC000328798223	819558598	/nfs/dbraw/zinc/55/85/98/819558598.db2.gz	FWPRGHDNQSGGQN-QIIPPGSGSA-N	1	0	359.474	1.913	20	30		FDEDRO
C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCOC[C@H]1c1ncnn1C	ZINC000328845311	819564500	/nfs/dbraw/zinc/56/45/00/819564500.db2.gz	AEUJUOQVCICLLH-FZKCQIBNSA-N	1	0	364.494	1.469	20	30		FDEDRO
CC(=O)N1CC[C@H](CN(C)C(=O)NCc2ccnc(N3CCCC3)c2)C1	ZINC000328858219	819568869	/nfs/dbraw/zinc/56/88/69/819568869.db2.gz	UUAQEPTVSGTITB-QGZVFWFLSA-N	1	0	359.474	1.896	20	30		FDEDRO
CC[C@H](NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)C(=O)N1CCOCC1	ZINC000328867651	819571348	/nfs/dbraw/zinc/57/13/48/819571348.db2.gz	OIRCCAQPXXECCB-SJORKVTESA-N	1	0	366.506	1.202	20	30		FDEDRO
COC[C@](C)(O)CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000458932962	819651507	/nfs/dbraw/zinc/65/15/07/819651507.db2.gz	HWVMLJUVPJHFCC-LJQANCHMSA-N	1	0	362.474	1.419	20	30		FDEDRO
Cn1ccc(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc1=O	ZINC000331155235	819667875	/nfs/dbraw/zinc/66/78/75/819667875.db2.gz	DGBKQVFRUWAQID-UHFFFAOYSA-N	1	0	362.474	1.317	20	30		FDEDRO
CC[C@H]1COCCN1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1	ZINC000331172183	819668910	/nfs/dbraw/zinc/66/89/10/819668910.db2.gz	JXMPUNRIBQDYFF-INIZCTEOSA-N	1	0	368.522	1.638	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CC(C)(C)OC(C)(C)C1	ZINC000331274396	819672413	/nfs/dbraw/zinc/67/24/13/819672413.db2.gz	NGJJIHCDEHQGGN-OAHLLOKOSA-N	1	0	368.522	1.733	20	30		FDEDRO
CCNC(=O)NC(=O)[C@H](C)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1	ZINC000331254995	819674859	/nfs/dbraw/zinc/67/48/59/819674859.db2.gz	XZCMLFPCMUEEMB-OFQRWUPVSA-N	1	0	364.494	1.173	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)[C@@H]2C[C@H]2C)CC1	ZINC000983852197	819787450	/nfs/dbraw/zinc/78/74/50/819787450.db2.gz	WIIFTKAZQVIQOD-ZAWLATJESA-N	1	0	359.514	1.731	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1	ZINC000665040102	819802064	/nfs/dbraw/zinc/80/20/64/819802064.db2.gz	XPSLAFVEYKLSOW-OTWHNJEPSA-N	1	0	359.470	1.786	20	30		FDEDRO
C=C(C)CCNC(=O)N1CC[C@@H](N(C)Cc2cc(=O)[nH]c(N(C)C)n2)C1	ZINC000458988438	819808439	/nfs/dbraw/zinc/80/84/39/819808439.db2.gz	ALAGZIGTPQDTGW-OAHLLOKOSA-N	1	0	362.478	1.430	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1	ZINC000441596553	820129153	/nfs/dbraw/zinc/12/91/53/820129153.db2.gz	IJEBMNUASNSZQL-UHFFFAOYSA-N	1	0	365.393	2.056	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000984093551	820839890	/nfs/dbraw/zinc/83/98/90/820839890.db2.gz	HWUVGOLVHZIQAI-FVQBIDKESA-N	1	0	357.458	1.290	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2CC)C1=O	ZINC001087535703	820939083	/nfs/dbraw/zinc/93/90/83/820939083.db2.gz	XLNYVODEMZQZGF-USXIJHARSA-N	1	0	355.442	1.256	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3coc(S(C)(=O)=O)c3)[C@@H]2C1	ZINC001075815171	821613070	/nfs/dbraw/zinc/61/30/70/821613070.db2.gz	LRWNMSNVZUAELS-DZGCQCFKSA-N	1	0	352.456	1.796	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnc4n3CCC4)[C@H]2CC)C1=O	ZINC001087607251	821714613	/nfs/dbraw/zinc/71/46/13/821714613.db2.gz	UADDABZHSHCQMC-XHSDSOJGSA-N	1	0	371.485	1.199	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC(O)(C[NH2+]Cc2cc(C#N)cnc2Cl)C1	ZINC000895209320	821873836	/nfs/dbraw/zinc/87/38/36/821873836.db2.gz	SUPPPHJCMHAHOX-UHFFFAOYSA-N	1	0	352.822	1.678	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@]2(C)CNC(=O)C2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087668929	821970793	/nfs/dbraw/zinc/97/07/93/821970793.db2.gz	NKZBNSGMPIQAJV-SQGPQFPESA-N	1	0	354.454	1.554	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000984256759	821986545	/nfs/dbraw/zinc/98/65/45/821986545.db2.gz	AUCMOQYDLCDCIJ-VNQPRFMTSA-N	1	0	357.458	1.290	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC000984260116	821999897	/nfs/dbraw/zinc/99/98/97/821999897.db2.gz	MMCNVYSHCQOVDO-ATZDWAIDSA-N	1	0	368.481	1.466	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@]2(C)CCNC2=O)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087723612	822218068	/nfs/dbraw/zinc/21/80/68/822218068.db2.gz	WXJFFSCJLDIONR-WAOWUJCRSA-N	1	0	353.466	1.533	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)[C@H]1CC	ZINC001087723852	822219386	/nfs/dbraw/zinc/21/93/86/822219386.db2.gz	IKTZQOIVOKATOK-HZMVEIRTSA-N	1	0	351.491	1.558	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)[C@@H]1CC	ZINC001087755385	822359015	/nfs/dbraw/zinc/35/90/15/822359015.db2.gz	LZODJOGLGJATBB-CUSZFKRNSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3c(C)noc3C)[C@@H]2CC)nn1	ZINC001087753870	822368130	/nfs/dbraw/zinc/36/81/30/822368130.db2.gz	BMHAIEFPBOQDTJ-DOTOQJQBSA-N	1	0	358.446	1.852	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cn(C)nc3C)[C@@H]2CC)nn1	ZINC001087754084	822368871	/nfs/dbraw/zinc/36/88/71/822368871.db2.gz	NMTALCRKXJOSDO-DOTOQJQBSA-N	1	0	357.462	1.289	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)c(F)c1	ZINC000522303905	822378177	/nfs/dbraw/zinc/37/81/77/822378177.db2.gz	BDWURNUXTCIZSW-HNNXBMFYSA-N	1	0	357.433	1.766	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnc(C)nc3C)[C@H]2CC)C1=O	ZINC001087766217	822392387	/nfs/dbraw/zinc/39/23/87/822392387.db2.gz	XBMVNFZYOCFBKF-KSZLIROESA-N	1	0	371.485	1.463	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)Cc2nonc2C)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087780261	822430060	/nfs/dbraw/zinc/43/00/60/822430060.db2.gz	YEAWYPPYEIGMFC-FUHWJXTLSA-N	1	0	353.426	1.962	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3ccn(CC)n3)[C@@H]2CC)CC1	ZINC001087840025	822558864	/nfs/dbraw/zinc/55/88/64/822558864.db2.gz	DHNOUFSESFUDNE-VQTJNVASSA-N	1	0	371.529	1.717	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3cnsn3)[C@@H]2CC)CC1	ZINC001087840360	822559593	/nfs/dbraw/zinc/55/95/93/822559593.db2.gz	UHJOMFIKVBXHGT-DLBZAZTESA-N	1	0	361.515	1.352	20	30		FDEDRO
N#Cc1c(N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)cccc1S(N)(=O)=O	ZINC000895567973	822658958	/nfs/dbraw/zinc/65/89/58/822658958.db2.gz	VEXCLCCHKKUNIZ-ZIAGYGMSSA-N	1	0	352.485	1.197	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCCN(CCN2CCOCC2)C1	ZINC000895686460	822698603	/nfs/dbraw/zinc/69/86/03/822698603.db2.gz	RVZOAGGMCGBOJD-RTBURBONSA-N	1	0	364.534	1.472	20	30		FDEDRO
CCO/C=C\[C@](O)(C[NH2+]Cc1cnc2c(C#N)cnn2c1)C(F)(F)F	ZINC000895708229	822707229	/nfs/dbraw/zinc/70/72/29/822707229.db2.gz	PCYCIUBYUQEDKJ-NQHOJNORSA-N	1	0	355.320	1.534	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CCn4cncn4)C[C@@H]3C2)cc1	ZINC001087886286	822720404	/nfs/dbraw/zinc/72/04/04/822720404.db2.gz	DGLVEGYFVLJCBG-MOPGFXCFSA-N	1	0	364.453	1.520	20	30		FDEDRO
C[C@@]1(C#N)CN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CCO1	ZINC000895728328	822722368	/nfs/dbraw/zinc/72/23/68/822722368.db2.gz	UZADYWKHMXFAKW-LJQANCHMSA-N	1	0	357.458	1.618	20	30		FDEDRO
O=C(CCn1cncn1)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001087887430	822725117	/nfs/dbraw/zinc/72/51/17/822725117.db2.gz	GCKCVSXYQYMCTM-UXHICEINSA-N	1	0	363.465	1.500	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CCn4cncn4)C[C@@H]3C2)s1	ZINC001087887675	822725460	/nfs/dbraw/zinc/72/54/60/822725460.db2.gz	RSQGVRJXKMAMHK-CABCVRRESA-N	1	0	370.482	1.582	20	30		FDEDRO
CC(C)NC(=O)CNC(=[NH+]CC(=O)N(C)C)N1CCC2(C1)CCCCC2	ZINC000262243958	822735429	/nfs/dbraw/zinc/73/54/29/822735429.db2.gz	ALYJZLOLETYNIC-UHFFFAOYSA-N	1	0	365.522	1.201	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2C#N)C1	ZINC001029839582	828482762	/nfs/dbraw/zinc/48/27/62/828482762.db2.gz	DFBINFFMWWRRJA-IPELMVKDSA-N	1	0	368.481	1.563	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3ccoc3)[C@H]2CC)CC1	ZINC000984560920	822783411	/nfs/dbraw/zinc/78/34/11/822783411.db2.gz	SKJYUMDFCPXJHZ-ZWKOTPCHSA-N	1	0	357.454	1.734	20	30		FDEDRO
C#CCC1([NH2+]Cc2c(I)cnn2C)CCOCC1	ZINC000895894303	823728944	/nfs/dbraw/zinc/72/89/44/823728944.db2.gz	KBAHQTVRUHWMBM-UHFFFAOYSA-N	1	0	359.211	1.687	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4n[nH]c(C)c4C)C[C@@H]3C2)C1=O	ZINC001087914884	823808212	/nfs/dbraw/zinc/80/82/12/823808212.db2.gz	JNYPLWVHJDVHRV-IXDOHACOSA-N	1	0	371.485	1.207	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]3C2)C1=O	ZINC001087925471	823937381	/nfs/dbraw/zinc/93/73/81/823937381.db2.gz	OCFNRUYKGBGLBZ-SOLBZPMBSA-N	1	0	367.453	1.067	20	30		FDEDRO
Cn1cc(CC[N@@H+]2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]3C2)cn1	ZINC001087939949	824033765	/nfs/dbraw/zinc/03/37/65/824033765.db2.gz	AOEUCASHIVYSOP-WBVHZDCISA-N	1	0	352.442	1.256	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)CCn4ccnn4)C[C@@H]3C2)c1	ZINC001087948032	824093859	/nfs/dbraw/zinc/09/38/59/824093859.db2.gz	GJRQGXGETBVBFI-MOPGFXCFSA-N	1	0	364.453	1.520	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)CC4CC4)C[C@@H]3C2)CC1	ZINC000985623924	828611226	/nfs/dbraw/zinc/61/12/26/828611226.db2.gz	NMWCLAVDXLHLFH-MOPGFXCFSA-N	1	0	357.498	1.439	20	30		FDEDRO
Cn1nncc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)CC[C@@H]2C1	ZINC001087953032	824129151	/nfs/dbraw/zinc/12/91/51/824129151.db2.gz	ANQFMNSXGOSBOC-CVEARBPZSA-N	1	0	368.416	1.420	20	30		FDEDRO
C=C(Br)CN1CC[C@@H]2CN(C(=O)Cc3nnc(C)[nH]3)C[C@@H]2C1	ZINC001087959850	824190159	/nfs/dbraw/zinc/19/01/59/824190159.db2.gz	QYCUBGKSQHLARF-OLZOCXBDSA-N	1	0	368.279	1.345	20	30		FDEDRO
CC(C)Cc1noc(CN2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)n1	ZINC001087962258	824197930	/nfs/dbraw/zinc/19/79/30/824197930.db2.gz	GEGWBYSIXXBQCQ-SJORKVTESA-N	1	0	356.470	1.962	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@]45C[C@H]4COC5)C[C@@H]3C2)s1	ZINC001087972963	824304381	/nfs/dbraw/zinc/30/43/81/824304381.db2.gz	DJDZWMLSDRUCKS-QZNHQWIBSA-N	1	0	357.479	1.937	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc4cc[nH]cc-4c3=O)C[C@@H]2C1	ZINC001087981626	824350931	/nfs/dbraw/zinc/35/09/31/824350931.db2.gz	MUQWGAHQSFJUCI-CABCVRRESA-N	1	0	350.422	1.340	20	30		FDEDRO
C=CCCCN(CC)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000896469008	824425705	/nfs/dbraw/zinc/42/57/05/824425705.db2.gz	DUEWOVJNDNSILZ-SFHVURJKSA-N	1	0	352.523	1.781	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)[C@H]2CC)nc1	ZINC000984696483	824504292	/nfs/dbraw/zinc/50/42/92/824504292.db2.gz	NTBNQJXKMJRYPM-CGTJXYLNSA-N	1	0	354.454	1.266	20	30		FDEDRO
CC(=O)N1CCCC[C@@H]1C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1	ZINC000329086040	824568965	/nfs/dbraw/zinc/56/89/65/824568965.db2.gz	GPLXFDGIBFGKJN-IPMKNSEASA-N	1	0	359.470	1.979	20	30		FDEDRO
C[NH+]1CCC2(CCCN2C(=O)Nc2cc(-n3cnnn3)ccc2F)CC1	ZINC000329094229	824577710	/nfs/dbraw/zinc/57/77/10/824577710.db2.gz	XOTKJLLGABVZFO-UHFFFAOYSA-N	1	0	359.409	1.907	20	30		FDEDRO
CC(C)N1C(=O)N[C@@H]2CN(C(=O)NC3CC[NH+](CC4CC4)CC3)CC[C@@H]21	ZINC000329125054	824611775	/nfs/dbraw/zinc/61/17/75/824611775.db2.gz	MDKICPVQPAOWLT-SJORKVTESA-N	1	0	363.506	1.856	20	30		FDEDRO
CC[NH+](CC)[C@H]1CCN(C(=O)Nc2nnn(Cc3noc(C)n3)c2C)C1	ZINC000329143344	824625071	/nfs/dbraw/zinc/62/50/71/824625071.db2.gz	VOKDULFLZPSDEM-ZDUSSCGKSA-N	1	0	362.438	1.288	20	30		FDEDRO
Cc1c(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)cnn1CC(C)C	ZINC000329160929	824638711	/nfs/dbraw/zinc/63/87/11/824638711.db2.gz	FKHYHEXDVHLRJW-QGZVFWFLSA-N	1	0	361.490	1.847	20	30		FDEDRO
C[C@@H]1CCC[N@H+](CCNC(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)C1	ZINC000329184475	824652692	/nfs/dbraw/zinc/65/26/92/824652692.db2.gz	ADKQPUQCIXGBEN-SJORKVTESA-N	1	0	365.522	1.902	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)c(OC)c1	ZINC000896582442	824669808	/nfs/dbraw/zinc/66/98/08/824669808.db2.gz	WJZHYYUUHQREHZ-DOTOQJQBSA-N	1	0	361.486	1.553	20	30		FDEDRO
C[C@H]1C[N@H+](C)CCN1CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1	ZINC000329212558	824672414	/nfs/dbraw/zinc/67/24/14/824672414.db2.gz	HXKXSEJBZPLADW-INIZCTEOSA-N	1	0	374.485	1.251	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CN(C)Cc2nc(N(C)C)no2)C1	ZINC001029847456	828684940	/nfs/dbraw/zinc/68/49/40/828684940.db2.gz	SZJYVYNQSBMJFM-KFWWJZLASA-N	1	0	363.462	1.007	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)cc1	ZINC000329299795	824721638	/nfs/dbraw/zinc/72/16/38/824721638.db2.gz	MCYLFOQNWDMARA-SFHVURJKSA-N	1	0	353.470	1.827	20	30		FDEDRO
C#CCSCC(=O)N1CCC(C(=O)NCCC[NH+](CC)CC)CC1	ZINC000896625652	824723292	/nfs/dbraw/zinc/72/32/92/824723292.db2.gz	CRPDLJMJBMOAED-UHFFFAOYSA-N	1	0	353.532	1.440	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1	ZINC000329334519	824742684	/nfs/dbraw/zinc/74/26/84/824742684.db2.gz	KSYOBSVLMQQIDX-LSDHHAIUSA-N	1	0	361.494	1.021	20	30		FDEDRO
CC(C)[C@H]([NH2+]CC(=O)NC(=O)NC1CCCCC1)C(=O)N1CCOCC1	ZINC000329359893	824754128	/nfs/dbraw/zinc/75/41/28/824754128.db2.gz	GQTYBJSPWABKRS-INIZCTEOSA-N	1	0	368.478	1.663	20	30		FDEDRO
O=C(CC1CCCC1)NCC(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1	ZINC000329569420	824888921	/nfs/dbraw/zinc/88/89/21/824888921.db2.gz	PUTCZNWRDUUNLI-UHFFFAOYSA-N	1	0	367.490	1.209	20	30		FDEDRO
CN(C)C(=O)CNC(=[NH+]C[C@@H]1CCCCO1)N1CCC2(C1)CCOCC2	ZINC000262296538	824897547	/nfs/dbraw/zinc/89/75/47/824897547.db2.gz	MLIMQPXKDSMKHZ-INIZCTEOSA-N	1	0	366.506	1.092	20	30		FDEDRO
C[C@H](NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1nnc2ccccn21	ZINC000329581364	824901605	/nfs/dbraw/zinc/90/16/05/824901605.db2.gz	LHDPSYDXLGNMBR-GJZGRUSLSA-N	1	0	372.473	1.795	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)s2)C1	ZINC000984812975	824990090	/nfs/dbraw/zinc/99/00/90/824990090.db2.gz	NDISUGDMJQLTPW-GVAFMPQTSA-N	1	0	360.483	1.328	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC[N@H+]1CC[C@H](C)C1	ZINC000525805722	828721699	/nfs/dbraw/zinc/72/16/99/828721699.db2.gz	KYNADFYBQOAGRG-ZDUSSCGKSA-N	1	0	354.458	1.608	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)c2nnnn2C2CC2)C1	ZINC000984826156	825033091	/nfs/dbraw/zinc/03/30/91/825033091.db2.gz	MUQCCSRISGLBBP-DFMBRWPFSA-N	1	0	360.462	1.145	20	30		FDEDRO
N#Cc1cccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)c1	ZINC000984816490	825037450	/nfs/dbraw/zinc/03/74/50/825037450.db2.gz	NRZBTHORHVQQGL-ZJPYXAASSA-N	1	0	354.454	1.444	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3c(C)noc3C)CC[C@@H]2C1	ZINC001087998272	825076130	/nfs/dbraw/zinc/07/61/30/825076130.db2.gz	ZUBYCYISZHZOHM-HBFSDRIKSA-N	1	0	370.497	1.669	20	30		FDEDRO
CC(C)(C(N)=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@@H]2C1	ZINC001088001305	825119641	/nfs/dbraw/zinc/11/96/41/825119641.db2.gz	DAIQOCKFAZBONE-SJORKVTESA-N	1	0	354.454	1.350	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3cccnc3)C2)C1=O	ZINC000984846099	825126508	/nfs/dbraw/zinc/12/65/08/825126508.db2.gz	GPMXBAXODOWBDJ-HZZCBIDNSA-N	1	0	368.481	1.456	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3cccnc3)C2)C1=O	ZINC000984846093	825126509	/nfs/dbraw/zinc/12/65/09/825126509.db2.gz	GPMXBAXODOWBDJ-GPFWEFOESA-N	1	0	368.481	1.456	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC)CC[C@@H]2C1	ZINC001088016553	825272855	/nfs/dbraw/zinc/27/28/55/825272855.db2.gz	KXFYNNGTONYEOR-CVEARBPZSA-N	1	0	357.454	1.391	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2CC)cn1	ZINC000984894804	825277811	/nfs/dbraw/zinc/27/78/11/825277811.db2.gz	DZYNQSTZGMPJLA-BPQIPLTHSA-N	1	0	354.454	1.124	20	30		FDEDRO
Cc1ccc(N2CCC[C@H](NC(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)C2)nn1	ZINC000329691264	825319776	/nfs/dbraw/zinc/31/97/76/825319776.db2.gz	WGVVKZACRWDLMC-CVEARBPZSA-N	1	0	358.490	1.742	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1CC	ZINC000984905539	825360247	/nfs/dbraw/zinc/36/02/47/825360247.db2.gz	MSLMBNOAODJSTB-XDNAFOTISA-N	1	0	363.502	1.559	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@@H]3CCC(=O)N[C@@H]3[C@@H]3CCCO3)CC[C@@H]21	ZINC000329739581	825409456	/nfs/dbraw/zinc/40/94/56/825409456.db2.gz	NMBKLJDZROMNEK-LFRCEIEQSA-N	1	0	364.490	1.983	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc4c(c3)NC(=O)CO4)C[C@@H]2C1	ZINC001088028622	825428079	/nfs/dbraw/zinc/42/80/79/825428079.db2.gz	VTWOLLXHEJQWBI-HIFRSBDPSA-N	1	0	356.426	1.383	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CCc3ncnn32)C1	ZINC000984918103	825439426	/nfs/dbraw/zinc/43/94/26/825439426.db2.gz	UUFAYDWCFDOKHX-DNCCFGNJSA-N	1	0	359.474	1.231	20	30		FDEDRO
Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)nn1	ZINC000329769353	825440464	/nfs/dbraw/zinc/44/04/64/825440464.db2.gz	HSAOTSORDJXWCZ-BBWFWOEESA-N	1	0	358.490	1.836	20	30		FDEDRO
CCc1noc([C@H](C)N2CCN(C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)n1	ZINC000329801519	825465665	/nfs/dbraw/zinc/46/56/65/825465665.db2.gz	JRVUEHRYKBKUTB-QLFBSQMISA-N	1	0	364.494	1.707	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNC(=O)CN2CCc3ccccc3C2=O)CC1	ZINC000329869209	825515805	/nfs/dbraw/zinc/51/58/05/825515805.db2.gz	YLYVHQJXYSYGGF-INIZCTEOSA-N	1	0	358.486	1.667	20	30		FDEDRO
CO[C@@H]1CN(CCOc2ccccc2C)C[C@H]1NC(=O)CSCC#N	ZINC001211888738	825517090	/nfs/dbraw/zinc/51/70/90/825517090.db2.gz	MVBHIYHHBVNSTO-NVXWUHKLSA-N	1	0	363.483	1.446	20	30		FDEDRO
Cn1cnc2c(c1=O)CCN(C(=O)NCC1([NH+](C)C)CCCCCC1)C2	ZINC000330109157	825642066	/nfs/dbraw/zinc/64/20/66/825642066.db2.gz	OTZKDVGGDJKSIJ-UHFFFAOYSA-N	1	0	361.490	1.707	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCCN3CC3CCC3)C[C@@H]2C1	ZINC001088053494	825644554	/nfs/dbraw/zinc/64/45/54/825644554.db2.gz	KTHATAUEXPKFDF-AABGKKOBSA-N	1	0	359.514	1.291	20	30		FDEDRO
CCNC(=O)CN1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1	ZINC000330125717	825659348	/nfs/dbraw/zinc/65/93/48/825659348.db2.gz	LZMQQLSDZFNOMR-UHFFFAOYSA-N	1	0	365.522	1.901	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2Cc3ccccc3O2)CC1	ZINC000330127876	825659917	/nfs/dbraw/zinc/65/99/17/825659917.db2.gz	JELZXJUBGUTCLG-IAGOWNOFSA-N	1	0	372.469	1.143	20	30		FDEDRO
CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000330151778	825682156	/nfs/dbraw/zinc/68/21/56/825682156.db2.gz	WJLSLJPVYTVGHS-ZACQAIPSSA-N	1	0	366.506	1.200	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@H]3CCn4ccnc4C3)CC2)CC1	ZINC000330185143	825710828	/nfs/dbraw/zinc/71/08/28/825710828.db2.gz	IYUNPKHYDINKQD-KRWDZBQOSA-N	1	0	374.533	1.602	20	30		FDEDRO
COCCC(=O)N1CCC(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1	ZINC000330188973	825711474	/nfs/dbraw/zinc/71/14/74/825711474.db2.gz	UVQYCSCWAOTYOL-QGZVFWFLSA-N	1	0	366.506	1.488	20	30		FDEDRO
CC[C@@H]1CN(C(=O)NCc2nnc3n2CCCC3)C[C@H]1N1CCOCC1	ZINC000330200480	825729873	/nfs/dbraw/zinc/72/98/73/825729873.db2.gz	AHLIUMOEDCQWJM-HUUCEWRRSA-N	1	0	362.478	1.071	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCOC3(CCC3)C2)CC1	ZINC000330248718	825765866	/nfs/dbraw/zinc/76/58/66/825765866.db2.gz	ZLFHVPYVVLYVJJ-MRXNPFEDSA-N	1	0	366.506	1.488	20	30		FDEDRO
N#Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCNC4=O)C[C@@H]3C2)ccc1F	ZINC001088065086	825788969	/nfs/dbraw/zinc/78/89/69/825788969.db2.gz	HTKXCAAETROHCC-HYVNUMGLSA-N	1	0	370.428	1.114	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H]2CC(c3cc(OC)ccc3OC)=NO2)CC1	ZINC000281026768	825857862	/nfs/dbraw/zinc/85/78/62/825857862.db2.gz	WDKKMSLFBPQABJ-IBGZPJMESA-N	1	0	373.453	1.963	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+](C)CCC(=O)NC(=O)NCc2ccccc2)C1=O	ZINC000281354164	825939339	/nfs/dbraw/zinc/93/93/39/825939339.db2.gz	NGVPTILWRXDUEO-MRXNPFEDSA-N	1	0	358.442	1.121	20	30		FDEDRO
O=C([C@H]1[C@@H]2COC[C@@H]21)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001088073024	825973794	/nfs/dbraw/zinc/97/37/94/825973794.db2.gz	KRVRMBMKHLKRDZ-TXVWBRJLSA-N	1	0	350.462	1.711	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H](C)SC)[C@@H]2CC)CC1	ZINC000984990390	826022903	/nfs/dbraw/zinc/02/29/03/826022903.db2.gz	ARNKQAQTHLLUQH-HYVNUMGLSA-N	1	0	365.543	1.579	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H](F)CC)[C@@H]2CC)CC1	ZINC000984992745	826040692	/nfs/dbraw/zinc/04/06/92/826040692.db2.gz	QUAPZAAKLFRSGR-IXDOHACOSA-N	1	0	351.466	1.575	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN(C(C)(C)C)C3=O)C[C@@H]2C1	ZINC001088077373	826065695	/nfs/dbraw/zinc/06/56/95/826065695.db2.gz	VUKRICUCCKJNJH-SQNIBIBYSA-N	1	0	359.514	1.827	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)C4(C(N)=O)CC4)C[C@@H]3C2)c1	ZINC001088088463	826303614	/nfs/dbraw/zinc/30/36/14/826303614.db2.gz	VKXMJUFAVDDAHD-SJORKVTESA-N	1	0	352.438	1.104	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC000985086666	826315077	/nfs/dbraw/zinc/31/50/77/826315077.db2.gz	JRHZCKMQEHHISU-BBWFWOEESA-N	1	0	357.458	1.480	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@@H]2C1	ZINC001088089337	826318967	/nfs/dbraw/zinc/31/89/67/826318967.db2.gz	LTHIHLUFOKCYGG-SJORKVTESA-N	1	0	352.438	1.104	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C[C@@H]2C1	ZINC001088104265	826408479	/nfs/dbraw/zinc/40/84/79/826408479.db2.gz	AZXTZVHPYAGGCY-VSZNYVQBSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCc3ccnn3C)CC[C@@H]2C1	ZINC001088113031	826445539	/nfs/dbraw/zinc/44/55/39/826445539.db2.gz	KJCUOCHMXBTLQB-JFRXWTBNSA-N	1	0	358.486	1.334	20	30		FDEDRO
C[NH+]=C(N[C@@H]1C[C@@H]1C1CCCCC1)N1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000262414011	826482688	/nfs/dbraw/zinc/48/26/88/826482688.db2.gz	PTDISPMJQYNMSF-KZNAEPCWSA-N	1	0	362.518	1.854	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)Cc4ccccc43)C[C@@H]2C1	ZINC001088120817	826496087	/nfs/dbraw/zinc/49/60/87/826496087.db2.gz	ZKPYOCMEEGKWNO-MSOLQXFVSA-N	1	0	353.466	1.932	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccn(CC)n4)C[C@@H]3C2)C1=O	ZINC001088129995	826545196	/nfs/dbraw/zinc/54/51/96/826545196.db2.gz	QQBZTUFMWTUHHT-RYRKJORJSA-N	1	0	371.485	1.084	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4ccnc4)nn3)C[C@@H]2C1	ZINC001088138806	826635286	/nfs/dbraw/zinc/63/52/86/826635286.db2.gz	DPNWWHOSRNRLGQ-CVEARBPZSA-N	1	0	350.426	1.080	20	30		FDEDRO
C[NH+]=C(N[C@@H]1C[C@@](C)(OC)C1(C)C)N[C@@H]1CCCN(c2cnn(C)c2)C1	ZINC000262432729	826766548	/nfs/dbraw/zinc/76/65/48/826766548.db2.gz	SRRGUJMNNIGEEJ-IDHHARJASA-N	1	0	362.522	1.758	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCCS(C)(=O)=O)C[C@H]1C(F)(F)F	ZINC001112177939	826809244	/nfs/dbraw/zinc/80/92/44/826809244.db2.gz	JZEVLZGVQBOSGW-CHWSQXEVSA-N	1	0	370.437	1.756	20	30		FDEDRO
C=C(Cl)CN1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]2C1	ZINC001088153746	826864972	/nfs/dbraw/zinc/86/49/72/826864972.db2.gz	IRTQDVKRMSTLBL-CVEARBPZSA-N	1	0	355.910	1.630	20	30		FDEDRO
CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4)CC[C@@H]3C2)nn1	ZINC001088154713	826880577	/nfs/dbraw/zinc/88/05/77/826880577.db2.gz	CRSYNUCMMXLRIV-MSOLQXFVSA-N	1	0	364.453	1.764	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1CCN(C(=O)C(C)C)CC1	ZINC000262460299	827014226	/nfs/dbraw/zinc/01/42/26/827014226.db2.gz	XKJURTASFMOHRH-BBWFWOEESA-N	1	0	364.534	1.956	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1N1CC[C@H]2[C@H]1CCC[N@H+]2CCO	ZINC000897220975	827184113	/nfs/dbraw/zinc/18/41/13/827184113.db2.gz	ZXRCIHADFSCQSU-JKSUJKDBSA-N	1	0	365.499	1.186	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO	ZINC000897220971	827184123	/nfs/dbraw/zinc/18/41/23/827184123.db2.gz	ZXRCIHADFSCQSU-HZPDHXFCSA-N	1	0	365.499	1.186	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4cnoc4C)CC[C@@H]3C2)nc1	ZINC001088174343	827220839	/nfs/dbraw/zinc/22/08/39/827220839.db2.gz	RRJRHRNLMXRDKB-AEFFLSMTSA-N	1	0	350.422	1.953	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(=O)CCC)C[C@@H]2C1	ZINC001088210649	827487335	/nfs/dbraw/zinc/48/73/35/827487335.db2.gz	UVWYKDMLPXEYII-CEXWTWQISA-N	1	0	359.514	1.971	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1	ZINC000666343400	833208561	/nfs/dbraw/zinc/20/85/61/833208561.db2.gz	APJAUASTLWPBKL-INIZCTEOSA-N	1	0	353.532	1.935	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2C[C@@H]3C[N@H+](CC(=O)NC)CC[C@@H]3C2)cc1	ZINC001088214943	827516885	/nfs/dbraw/zinc/51/68/85/827516885.db2.gz	JIUKLIROSDETSM-MSOLQXFVSA-N	1	0	371.481	1.320	20	30		FDEDRO
N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4ccnc4)C[C@@H]3C2)c1	ZINC001088219749	827542782	/nfs/dbraw/zinc/54/27/82/827542782.db2.gz	UHEFOBHOPKNFDD-AEFFLSMTSA-N	1	0	367.428	1.874	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)C(=O)NCc1nc(C#N)cs1	ZINC000897267794	827557170	/nfs/dbraw/zinc/55/71/70/827557170.db2.gz	PXVFMDNHMOMYQZ-UHFFFAOYSA-N	1	0	351.476	1.515	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C)C1	ZINC000987546932	833225718	/nfs/dbraw/zinc/22/57/18/833225718.db2.gz	SFXCVHNCYDICRE-PVAVHDDUSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc5occc5[nH]4)[C@@H]3C2)C1=O	ZINC001075848729	827656499	/nfs/dbraw/zinc/65/64/99/827656499.db2.gz	QKRWTNCCVYGDLU-IAOVAPTHSA-N	1	0	368.437	1.694	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1	ZINC001088239509	827662260	/nfs/dbraw/zinc/66/22/60/827662260.db2.gz	YKDGGZJMUUOECK-WCIQWLHISA-N	1	0	360.498	1.907	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2cnnn2CC)CC1	ZINC000985436432	827818918	/nfs/dbraw/zinc/81/89/18/827818918.db2.gz	ZKBIGKKLFMCGRZ-MSOLQXFVSA-N	1	0	361.490	1.702	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@H+](C)CC(=O)N2CCCC2)CC1	ZINC000985435815	827819017	/nfs/dbraw/zinc/81/90/17/827819017.db2.gz	PNUUYPJHWMIFET-MSOLQXFVSA-N	1	0	363.502	1.513	20	30		FDEDRO
C=C(CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)c1ccccc1	ZINC000665749116	827821895	/nfs/dbraw/zinc/82/18/95/827821895.db2.gz	CSSXRVQICYVUBR-UHFFFAOYSA-N	1	0	372.513	1.796	20	30		FDEDRO
[NH2+]=C(NCCN1CCN(C(=O)C2CCCCC2)CC1)N1CCCCCC1	ZINC000262523799	827905229	/nfs/dbraw/zinc/90/52/29/827905229.db2.gz	OGZSOYUEYVLKRY-UHFFFAOYSA-N	1	0	363.550	1.902	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2cc(OC)no2)C1	ZINC001029741539	827959071	/nfs/dbraw/zinc/95/90/71/827959071.db2.gz	WLXZMNVGCRWYMD-OIISXLGYSA-N	1	0	363.458	1.945	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC000985496344	828035088	/nfs/dbraw/zinc/03/50/88/828035088.db2.gz	WVAKRVUSWFRWQP-UKPHBRMFSA-N	1	0	357.458	1.480	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC000985494281	828038323	/nfs/dbraw/zinc/03/83/23/828038323.db2.gz	IYEWZRCHVPFQQO-DLBZAZTESA-N	1	0	371.485	1.728	20	30		FDEDRO
CCNC(=O)COc1ccc(CNC(=[NH2+])N2CCCCCC2)cc1OC	ZINC000305082402	828040348	/nfs/dbraw/zinc/04/03/48/828040348.db2.gz	SSJBEDQJHAADSD-UHFFFAOYSA-N	1	0	362.474	1.901	20	30		FDEDRO
C[C@@H]1OCC[C@]1(O)C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1	ZINC000447924713	828942219	/nfs/dbraw/zinc/94/22/19/828942219.db2.gz	HDXUPDBBJUHCTM-NDXORKPFSA-N	1	0	371.481	1.837	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)Nc1nccs1	ZINC001168101900	829239744	/nfs/dbraw/zinc/23/97/44/829239744.db2.gz	ZXQCEZBTTWAVAR-JSGCOSHPSA-N	1	0	352.460	1.159	20	30		FDEDRO
Cc1ccc(I)cc1NC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N	ZINC000841196496	829332882	/nfs/dbraw/zinc/33/28/82/829332882.db2.gz	RJHVTIZZFHBMDG-JOYOIKCWSA-N	1	0	370.194	1.833	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CCN1CCC[C@@H]1C[NH+]1CCCC1	ZINC000528367881	829374279	/nfs/dbraw/zinc/37/42/79/829374279.db2.gz	JPGQKIQQNRMGJF-QGZVFWFLSA-N	1	0	351.450	1.846	20	30		FDEDRO
CC(C)C(=O)NC[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2C#N)C1	ZINC000528369163	829374473	/nfs/dbraw/zinc/37/44/73/829374473.db2.gz	SFUGZMRKNMDVKC-AEFFLSMTSA-N	1	0	359.470	1.782	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(Oc2cnccn2)CC1	ZINC000528480904	829420093	/nfs/dbraw/zinc/42/00/93/829420093.db2.gz	LJVITLVWOUHZRK-MRXNPFEDSA-N	1	0	354.410	1.631	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2C#N)C[C@]2(CCO[C@H](C)C2)O1	ZINC000528492009	829432273	/nfs/dbraw/zinc/43/22/73/829432273.db2.gz	WOOMKSBIHNYLLV-QQTQMKHKSA-N	1	0	360.454	1.956	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NC1CCCC1	ZINC001168109705	829524846	/nfs/dbraw/zinc/52/48/46/829524846.db2.gz	FHTQEGLTKDGONQ-PVAVHDDUSA-N	1	0	351.491	1.511	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CCOC[C@@H]1CCCCO1	ZINC001168110396	829554567	/nfs/dbraw/zinc/55/45/67/829554567.db2.gz	SVZCOWDWXNKNHY-BZSNNMDCSA-N	1	0	354.491	1.649	20	30		FDEDRO
COCc1ccc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1C#N	ZINC000529212163	829764490	/nfs/dbraw/zinc/76/44/90/829764490.db2.gz	OUFVVUZCFRMMRS-OAHLLOKOSA-N	1	0	358.442	1.891	20	30		FDEDRO
N#Cc1cccc(NCCN2CCN(c3ncccn3)CC2)c1[N+](=O)[O-]	ZINC000450261209	829898761	/nfs/dbraw/zinc/89/87/61/829898761.db2.gz	HMXAAERYFWWXBB-UHFFFAOYSA-N	1	0	353.386	1.491	20	30		FDEDRO
CC(C)[C@@H]1CN(C(=O)Cn2cnc(C#N)n2)CC[N@@H+]1Cc1ccccc1	ZINC000529805835	830050559	/nfs/dbraw/zinc/05/05/59/830050559.db2.gz	WOZISIQJFYLFLW-KRWDZBQOSA-N	1	0	352.442	1.519	20	30		FDEDRO
CCO[C@@H]1C[C@H]([NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C12CCC2	ZINC000451481505	830372788	/nfs/dbraw/zinc/37/27/88/830372788.db2.gz	RHGKXMUPYFQSDD-OKZBNKHCSA-N	1	0	362.518	1.616	20	30		FDEDRO
CC(C)O[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1(C)C	ZINC000451492773	830379714	/nfs/dbraw/zinc/37/97/14/830379714.db2.gz	GEOMKYYUCILSGL-RCCFBDPRSA-N	1	0	364.534	1.860	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1	ZINC001059688967	830460065	/nfs/dbraw/zinc/46/00/65/830460065.db2.gz	MGPVYIJSCVZFHT-AOIWGVFYSA-N	1	0	365.518	1.664	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)C1	ZINC000986067948	830489054	/nfs/dbraw/zinc/48/90/54/830489054.db2.gz	RPASBQBHMZUSBB-AABGKKOBSA-N	1	0	371.525	1.829	20	30		FDEDRO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CCC[N@@H+]1CCCO	ZINC000452354709	830622429	/nfs/dbraw/zinc/62/24/29/830622429.db2.gz	WFQFRAGYXJCIPA-IEBWSBKVSA-N	1	0	359.470	1.925	20	30		FDEDRO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1	ZINC000452377406	830639420	/nfs/dbraw/zinc/63/94/20/830639420.db2.gz	RCGGCNCPIIQWRP-IEBWSBKVSA-N	1	0	359.470	1.925	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)c1	ZINC000453575078	830955119	/nfs/dbraw/zinc/95/51/19/830955119.db2.gz	SEHGYJVOGHOMRN-GOSISDBHSA-N	1	0	371.485	1.193	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1	ZINC000453593794	830961339	/nfs/dbraw/zinc/96/13/39/830961339.db2.gz	DCFJSABPKBWKAA-UHFFFAOYSA-N	1	0	370.453	1.376	20	30		FDEDRO
C[NH+]=C(NCc1ccnc(C)n1)N[C@H]1CCN(c2cccc(OC)c2)C1	ZINC000262741839	831200830	/nfs/dbraw/zinc/20/08/30/831200830.db2.gz	DVRTZKSRXHUIHR-INIZCTEOSA-N	1	0	354.458	1.738	20	30		FDEDRO
C[NH+]=C(NCCNC(=O)c1ccc(O)cc1)N1CCC[C@]2(CCCOC2)C1	ZINC000262759456	831299137	/nfs/dbraw/zinc/29/91/37/831299137.db2.gz	CRZPAWVXBPRTNE-FQEVSTJZSA-N	1	0	374.485	1.590	20	30		FDEDRO
C[NH+]=C(NCC1CCN(C(C)=O)CC1)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1	ZINC000262793988	831465927	/nfs/dbraw/zinc/46/59/27/831465927.db2.gz	OWUPVGHRSSEGFQ-IAGOWNOFSA-N	1	0	365.522	1.057	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C[C@H]2C1	ZINC000986309269	831466290	/nfs/dbraw/zinc/46/62/90/831466290.db2.gz	NBHVKRVNBLJFTP-MILMJNAHSA-N	1	0	369.509	1.437	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H]3CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]3C2)c1	ZINC000986424532	831656828	/nfs/dbraw/zinc/65/68/28/831656828.db2.gz	JBRGKLMRZGBYLB-NEWSRXKRSA-N	1	0	368.481	1.324	20	30		FDEDRO
C#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1	ZINC001105429127	831851685	/nfs/dbraw/zinc/85/16/85/831851685.db2.gz	NPHZRMVLSRZNLN-VELGLUOQSA-N	1	0	355.482	1.145	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CNC(=O)c2ccsc2)C[C@H]1C(F)(F)F	ZINC001112207818	831947401	/nfs/dbraw/zinc/94/74/01/831947401.db2.gz	IHVJKAQMWFYLAJ-VXGBXAGGSA-N	1	0	359.373	1.090	20	30		FDEDRO
C=CCOCCCC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001059730742	831993599	/nfs/dbraw/zinc/99/35/99/831993599.db2.gz	OPFIFAQFAFYHIX-KZNAEPCWSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC=C)C1	ZINC001112212267	832074619	/nfs/dbraw/zinc/07/46/19/832074619.db2.gz	WYLZXFRCXYNEMD-VXGBXAGGSA-N	1	0	362.396	1.415	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1C	ZINC000988841349	837597414	/nfs/dbraw/zinc/59/74/14/837597414.db2.gz	KYGAZZOKQAGECB-UXPWSPDFSA-N	1	0	367.493	1.800	20	30		FDEDRO
C#CCOCCC(=O)NCC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001059733396	832086176	/nfs/dbraw/zinc/08/61/76/832086176.db2.gz	HTPRLCMKGWIKQS-OKZBNKHCSA-N	1	0	363.502	1.111	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)CC2)C1=O	ZINC001030003010	832364029	/nfs/dbraw/zinc/36/40/29/832364029.db2.gz	VFVZGCUXWNWXGL-IPMKNSEASA-N	1	0	359.514	1.990	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1ccc2c(c1)nnn2C	ZINC001088529411	832453989	/nfs/dbraw/zinc/45/39/89/832453989.db2.gz	VDOJRCNMFCXWEQ-DOMZBBRYSA-N	1	0	363.425	1.561	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1CCc1nnn(C(C)(C)C)n1	ZINC001088534026	832491268	/nfs/dbraw/zinc/49/12/68/832491268.db2.gz	XEBXIUYTCHFPSK-DOMZBBRYSA-N	1	0	370.461	1.063	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2C[N@@H+](CCc3ccnn3C)C[C@H]21	ZINC001075885297	832518204	/nfs/dbraw/zinc/51/82/04/832518204.db2.gz	PRWHAOCMHRAEJY-QFBILLFUSA-N	1	0	353.470	1.797	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)Cc2ccnn2C)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088545044	832585849	/nfs/dbraw/zinc/58/58/49/832585849.db2.gz	KRFLMCBSGUMXQH-BEFAXECRSA-N	1	0	367.453	1.644	20	30		FDEDRO
CN(C)c1nccc(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)n1	ZINC000263169819	832611633	/nfs/dbraw/zinc/61/16/33/832611633.db2.gz	RGQZGDXDACJWEQ-UHFFFAOYSA-N	1	0	373.892	1.833	20	30		FDEDRO
C[C@]1(C2CC2)NC(=O)N(c2ccc(CNC(=[NH2+])NC3CCC3)cc2)C1=O	ZINC000263178271	832618079	/nfs/dbraw/zinc/61/80/79/832618079.db2.gz	SZWBTGJQYGAPLU-LJQANCHMSA-N	1	0	355.442	1.868	20	30		FDEDRO
COc1cccc([C@H]2C[C@H](NC(=[NH2+])N3CCN(c4ncccn4)CC3)C2)c1	ZINC000263178940	832627831	/nfs/dbraw/zinc/62/78/31/832627831.db2.gz	TZFZZSRATZEFTP-QAQDUYKDSA-N	1	0	366.469	1.868	20	30		FDEDRO
C[C@@H](c1nc(-c2ccccc2N2CC[NH+](C)CC2)no1)n1cnc(C#N)n1	ZINC000350086157	833452671	/nfs/dbraw/zinc/45/26/71/833452671.db2.gz	UBIIETCIQPGPKO-ZDUSSCGKSA-N	1	0	364.413	1.561	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]1C	ZINC000987620211	833497471	/nfs/dbraw/zinc/49/74/71/833497471.db2.gz	HMRMFZZZCIDYIE-PVAVHDDUSA-N	1	0	371.485	1.868	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)[C@H](C1CC1)[NH+]1CCCC1	ZINC000987625138	833502290	/nfs/dbraw/zinc/50/22/90/833502290.db2.gz	KWGQIWVKGZPXCC-SKDZVZGDSA-N	1	0	369.469	1.480	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000987888309	833748461	/nfs/dbraw/zinc/74/84/61/833748461.db2.gz	QJZQCLIPJMODPS-UWWQBHOKSA-N	1	0	371.485	1.537	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000987928755	833795554	/nfs/dbraw/zinc/79/55/54/833795554.db2.gz	XESSAVUSJZVMFO-IJEWVQPXSA-N	1	0	357.458	1.147	20	30		FDEDRO
C=CCOCCCNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000666519883	833898413	/nfs/dbraw/zinc/89/84/13/833898413.db2.gz	XKFJAESSBWSEFW-MOPGFXCFSA-N	1	0	361.486	1.761	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC000988033357	833905571	/nfs/dbraw/zinc/90/55/71/833905571.db2.gz	WKBSFGQHNKXLHX-BPQIPLTHSA-N	1	0	368.481	1.324	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1	ZINC000988014869	833919876	/nfs/dbraw/zinc/91/98/76/833919876.db2.gz	UWMSXHVVTCSNOK-LNLFQRSKSA-N	1	0	363.502	1.370	20	30		FDEDRO
COc1cc(F)c(C(C)=NNC(=S)NCCC[NH+](C)C)cc1OC	ZINC000760258653	833965815	/nfs/dbraw/zinc/96/58/15/833965815.db2.gz	LUJSZOJUBUZZFE-UHFFFAOYSA-N	1	0	356.467	1.983	20	30		FDEDRO
[NH2+]=C(NCCNC(=O)c1ccccc1F)N[C@@H]1CCOc2ccccc21	ZINC000262511747	837727397	/nfs/dbraw/zinc/72/73/97/837727397.db2.gz	MGSBXMFDVTZLPL-MRXNPFEDSA-N	1	0	356.401	1.984	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CCN(C(=O)[C@]34C[C@H]3CCC4)C2)CC1	ZINC000988208818	834235640	/nfs/dbraw/zinc/23/56/40/834235640.db2.gz	XHCUDUYJHBVFAY-LRXVAGHRSA-N	1	0	371.525	1.829	20	30		FDEDRO
C=CCNC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1	ZINC000454140112	834633351	/nfs/dbraw/zinc/63/33/51/834633351.db2.gz	IAKMXRNNOXKGAH-UHFFFAOYSA-N	1	0	358.486	1.843	20	30		FDEDRO
CC(C)(CC#N)CNC(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1	ZINC000459255388	834889109	/nfs/dbraw/zinc/88/91/09/834889109.db2.gz	GVOGGQLFKGTGRA-QGZVFWFLSA-N	1	0	374.485	1.693	20	30		FDEDRO
C[C@H]1CC[N@H+](CCNC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)C1	ZINC000897472174	834951711	/nfs/dbraw/zinc/95/17/11/834951711.db2.gz	PRHMQGQGKRQUBQ-DOTOQJQBSA-N	1	0	356.474	1.881	20	30		FDEDRO
C=CC[N@@H+](CCN1C(=O)N[C@H](C)C1=O)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000459339492	835008550	/nfs/dbraw/zinc/00/85/50/835008550.db2.gz	DGTZDEXZDDJWLD-ZIAGYGMSSA-N	1	0	369.429	1.152	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCO[C@H]3C=C)[C@@H]2C)CC1	ZINC000988506342	835658377	/nfs/dbraw/zinc/65/83/77/835658377.db2.gz	KSMLGFHHVGGJFH-YSHGAJCASA-N	1	0	373.497	1.028	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCOCCCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105668826	844097450	/nfs/dbraw/zinc/09/74/50/844097450.db2.gz	ZXFIPOCCOGWOAJ-JYBIWHBTSA-N	1	0	368.518	1.582	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(CCc2ccns2)C[C@H]1OC	ZINC001211994857	836028708	/nfs/dbraw/zinc/02/87/08/836028708.db2.gz	MLCAMVXUIPVIJH-NUEKZKHPSA-N	1	0	353.488	1.482	20	30		FDEDRO
C=C(CC)CNC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1	ZINC000455526777	836104234	/nfs/dbraw/zinc/10/42/34/836104234.db2.gz	SXOQBLRXASLQKJ-UHFFFAOYSA-N	1	0	360.462	1.111	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C[C@@H]3CCS(=O)(=O)C3)[C@@H]2C)cc1	ZINC001088786812	844170878	/nfs/dbraw/zinc/17/08/78/844170878.db2.gz	ASGZRCCTGVMWEQ-HFTRVMKXSA-N	1	0	360.479	1.295	20	30		FDEDRO
CC[NH+]=C(NCCN1C(=O)c2ccccc2C1=O)N1CC[C@]2(CCOC2)C1	ZINC000179197020	836653974	/nfs/dbraw/zinc/65/39/74/836653974.db2.gz	KJZYQCWTFBBUQO-FQEVSTJZSA-N	1	0	370.453	1.361	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2ccncc2C)[C@@H]1C	ZINC000988737508	836931278	/nfs/dbraw/zinc/93/12/78/836931278.db2.gz	ADKGZZVZBALHCA-NEWSRXKRSA-N	1	0	368.481	1.136	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001075920618	837044423	/nfs/dbraw/zinc/04/44/23/837044423.db2.gz	NKGFTTHQQSAZIB-JKSUJKDBSA-N	1	0	351.410	1.642	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000938038553	837165629	/nfs/dbraw/zinc/16/56/29/837165629.db2.gz	BRXCWKUDHFCXNP-HHXXYDBFSA-N	1	0	369.465	1.370	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CCC4(CC[NH2+]C4)CC3)cc2C1=O	ZINC000261828899	837322122	/nfs/dbraw/zinc/32/21/22/837322122.db2.gz	OQMMWXYTWDTNSZ-UHFFFAOYSA-N	1	0	353.422	1.684	20	30		FDEDRO
C[NH+](C)CCn1nccc1NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1	ZINC000455658039	838425733	/nfs/dbraw/zinc/42/57/33/838425733.db2.gz	NCCPJSLDROGLHJ-QGZVFWFLSA-N	1	0	368.441	1.922	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000938129829	838502701	/nfs/dbraw/zinc/50/27/01/838502701.db2.gz	FWCNPEGKHFSPKQ-YESZJQIVSA-N	1	0	358.486	1.735	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H]1C	ZINC000989188994	838629108	/nfs/dbraw/zinc/62/91/08/838629108.db2.gz	QTQQWZOSCKJODY-UWVAXJGDSA-N	1	0	367.493	1.658	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H]1C	ZINC000989189333	838635816	/nfs/dbraw/zinc/63/58/16/838635816.db2.gz	WGTIPUUHQVSTLP-UXPWSPDFSA-N	1	0	367.493	1.800	20	30		FDEDRO
C[C@@H]1NC(=O)N(CC[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)C1=O	ZINC000459493420	838771268	/nfs/dbraw/zinc/77/12/68/838771268.db2.gz	YCYNBRKLOJUYDR-LBPRGKRZSA-N	1	0	360.389	1.481	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1	ZINC000459978234	839169725	/nfs/dbraw/zinc/16/97/25/839169725.db2.gz	UFFVFGWGDWOEPJ-SFHVURJKSA-N	1	0	372.469	1.086	20	30		FDEDRO
C[NH+](C)CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc(C#N)o1	ZINC000460036493	839245088	/nfs/dbraw/zinc/24/50/88/839245088.db2.gz	OBPAKZUEHIUFHL-QGZVFWFLSA-N	1	0	366.421	1.396	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccn(C)c(=O)c2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088672924	839563863	/nfs/dbraw/zinc/56/38/63/839563863.db2.gz	PGZIKMUGPCNCTA-KDOFPFPSSA-N	1	0	350.422	1.650	20	30		FDEDRO
Cn1ncc(C(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)c1C#N	ZINC000476096789	839789822	/nfs/dbraw/zinc/78/98/22/839789822.db2.gz	OZQAXCBDFPYYBI-UHFFFAOYSA-N	1	0	371.416	1.704	20	30		FDEDRO
COCC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@]23C[C@H]2COC3)CCC1	ZINC001105539126	839941725	/nfs/dbraw/zinc/94/17/25/839941725.db2.gz	ALNLRGLAAHCWDF-UEXGIBASSA-N	1	0	360.498	1.814	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3CCCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105585326	839994721	/nfs/dbraw/zinc/99/47/21/839994721.db2.gz	ODGRSFXTJUSKBI-WERVVEIQSA-N	1	0	362.514	1.793	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)F)[C@@H]2C(C)C)C[C@H]1O	ZINC001105585707	840009082	/nfs/dbraw/zinc/00/90/82/840009082.db2.gz	VNCSCMBBLMMSFW-YKTARERQSA-N	1	0	354.466	1.350	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105588022	840035879	/nfs/dbraw/zinc/03/58/79/840035879.db2.gz	QBUGWJRYGUERLL-RGCFKVTRSA-N	1	0	351.491	1.055	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(=O)[nH]n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105590552	840127473	/nfs/dbraw/zinc/12/74/73/840127473.db2.gz	LSDPRTZOWZKPKB-RRIFGTCXSA-N	1	0	360.458	1.338	20	30		FDEDRO
COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1	ZINC000897902841	840563341	/nfs/dbraw/zinc/56/33/41/840563341.db2.gz	PDMGMSJFJQATFU-IAGOWNOFSA-N	1	0	355.438	1.985	20	30		FDEDRO
NC(=[NH+]OCCN1C[C@H]2CC[C@@H](C1)O2)c1ccc(N2CCC(O)CC2)cc1	ZINC000842032413	840814002	/nfs/dbraw/zinc/81/40/02/840814002.db2.gz	CKOFMSZXTJALES-KDURUIRLSA-N	1	0	374.485	1.148	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccccc3O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105598462	840814369	/nfs/dbraw/zinc/81/43/69/840814369.db2.gz	QTCZMHBSVLQEEI-VELGLUOQSA-N	1	0	356.466	1.995	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1)c1ccncc1	ZINC000842039280	840861870	/nfs/dbraw/zinc/86/18/70/840861870.db2.gz	MKJUENLRYRVYAB-GOSISDBHSA-N	1	0	356.470	1.806	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN(C)C(C)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105601060	841012837	/nfs/dbraw/zinc/01/28/37/841012837.db2.gz	RGWJZDAGLBRQOK-RWQQGDIJSA-N	1	0	351.491	1.007	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(C)C(C)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105601351	841031298	/nfs/dbraw/zinc/03/12/98/841031298.db2.gz	WVLRIPWAOTVKGG-IZBJGVDFSA-N	1	0	365.518	1.397	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)[C@H]2C)cn1	ZINC000989482852	841039362	/nfs/dbraw/zinc/03/93/62/841039362.db2.gz	UZCVFUJTDNBDKC-APWZRJJASA-N	1	0	368.481	1.514	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105604573	841184920	/nfs/dbraw/zinc/18/49/20/841184920.db2.gz	VXYXCVSHUMAZCL-HNBVOPMISA-N	1	0	366.502	1.029	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105605008	841186935	/nfs/dbraw/zinc/18/69/35/841186935.db2.gz	ZTSVVWXDURHUQP-HNBVOPMISA-N	1	0	368.518	1.582	20	30		FDEDRO
CC/C=C(\C)C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC#CCOC)C2)[C@@H]1C(C)C	ZINC001105606998	841210723	/nfs/dbraw/zinc/21/07/23/841210723.db2.gz	JUSXHTWUZLIWSQ-QBLLQFOTSA-N	1	0	362.514	1.959	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCC(=O)NCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105607493	841229496	/nfs/dbraw/zinc/22/94/96/841229496.db2.gz	SCVVNZLYVDHLMJ-YAJHFMINSA-N	1	0	365.518	1.445	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[C@H]3CCC)[C@H]2C)CC1	ZINC000989779162	841463036	/nfs/dbraw/zinc/46/30/36/841463036.db2.gz	HUSPBBBDMHPDRV-OWYHZJEWSA-N	1	0	359.514	1.873	20	30		FDEDRO
C=CCOCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]C/C=C\Cl)C2)[C@@H]1C(C)C	ZINC001105610403	841641537	/nfs/dbraw/zinc/64/15/37/841641537.db2.gz	KHOZUQHLNYBMIL-LQNRTGIISA-N	1	0	356.894	1.908	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)CN2CCCCC2=O)CCN1CC#Cc1ccc(F)cc1	ZINC001088697794	841712131	/nfs/dbraw/zinc/71/21/31/841712131.db2.gz	KIIOKABTQKNYOA-APWZRJJASA-N	1	0	371.456	1.769	20	30		FDEDRO
O=C(N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O)[C@H](C1CC1)[NH+]1CCCC1	ZINC001083668144	861237459	/nfs/dbraw/zinc/23/74/59/861237459.db2.gz	DOKVGJLYLKVZKW-HKBOAZHASA-N	1	0	367.493	1.074	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105614621	842227676	/nfs/dbraw/zinc/22/76/76/842227676.db2.gz	IXOUCIMWPYGYSG-XSYGEPLQSA-N	1	0	354.454	1.489	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnnc(C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105620081	842241838	/nfs/dbraw/zinc/24/18/38/842241838.db2.gz	WNBXSNVVPHMQCA-FTEYMNFISA-N	1	0	356.470	1.388	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH]c(C#N)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105623137	842250859	/nfs/dbraw/zinc/25/08/59/842250859.db2.gz	NGVJETYUPBIAEV-XSYGEPLQSA-N	1	0	354.454	1.489	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3nnc(C)o3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105628398	842261627	/nfs/dbraw/zinc/26/16/27/842261627.db2.gz	VFEYSFOOLUVOQQ-RGCFKVTRSA-N	1	0	362.474	1.463	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3nccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105631486	842265118	/nfs/dbraw/zinc/26/51/18/842265118.db2.gz	CZXNQRZVPAFYGW-FPAYPSAMSA-N	1	0	361.490	1.210	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3c[nH]cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105636707	842267981	/nfs/dbraw/zinc/26/79/81/842267981.db2.gz	BUPOVMZRFPFTOU-IZBJGVDFSA-N	1	0	360.502	1.885	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cnc(C)o3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637545	842271924	/nfs/dbraw/zinc/27/19/24/842271924.db2.gz	RTQWVGRHAGSAIT-LFGUQSLTSA-N	1	0	359.470	1.515	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC3CCC3)C2)[C@@H]1C(C)C	ZINC001105634193	842284205	/nfs/dbraw/zinc/28/42/05/842284205.db2.gz	ZZKDGYQAGVVXMN-QCFAMHMHSA-N	1	0	362.514	1.793	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC#CCOC)C2)[C@@H]1C(C)C	ZINC001105645471	842395393	/nfs/dbraw/zinc/39/53/93/842395393.db2.gz	BBDYNFZCKQHICS-WIRSXHRWSA-N	1	0	362.514	1.815	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NCC)C2)[C@@H]1C(C)C	ZINC001105648594	842409938	/nfs/dbraw/zinc/40/99/38/842409938.db2.gz	ZJOPMFIKYOFKNA-UOSKARGWSA-N	1	0	365.518	1.301	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc(C)n3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105652570	842447591	/nfs/dbraw/zinc/44/75/91/842447591.db2.gz	NLXVDSKFFPQZLH-DLVXIWMQSA-N	1	0	358.486	1.332	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3n[nH]cc3F)[C@H]2C(C)C)C[C@H]1O	ZINC001105654797	842476202	/nfs/dbraw/zinc/47/62/02/842476202.db2.gz	BQXLUIMSFSFUIF-DEICHXMPSA-N	1	0	350.438	1.705	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccnc3OC)[C@H]2C(C)C)C[C@H]1O	ZINC001105658013	842495879	/nfs/dbraw/zinc/49/58/79/842495879.db2.gz	CYEHWSHGVGXQOV-DCXXXQMHSA-N	1	0	371.481	1.693	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)OCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000923793636	842532368	/nfs/dbraw/zinc/53/23/68/842532368.db2.gz	BZODWWPBNPZCPB-UHFFFAOYSA-N	1	0	365.817	1.804	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccnc3OC)[C@H]2C(C)C)C[C@H]1O	ZINC001105660450	842536113	/nfs/dbraw/zinc/53/61/13/842536113.db2.gz	VGKIWFTXMKVYOF-DCXXXQMHSA-N	1	0	371.481	1.693	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1	ZINC000667138054	843077241	/nfs/dbraw/zinc/07/72/41/843077241.db2.gz	VIKKQYSMKNOZIF-LJQANCHMSA-N	1	0	358.486	1.843	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCn3cncn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105666136	843079000	/nfs/dbraw/zinc/07/90/00/843079000.db2.gz	CXKMUHFYNKYJSH-PSBWJHGTSA-N	1	0	361.490	1.210	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N[C@H]2CCC[C@H]2C#N)c1	ZINC000461965945	843260348	/nfs/dbraw/zinc/26/03/48/843260348.db2.gz	ZVCZSUXNUMYZFL-IRXDYDNUSA-N	1	0	357.458	1.469	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H](C)c2cccc(C#N)c2)CC1	ZINC000462028732	843297820	/nfs/dbraw/zinc/29/78/20/843297820.db2.gz	FOOVEEJAHMWTRU-MRXNPFEDSA-N	1	0	356.470	1.674	20	30		FDEDRO
CC[NH+](CC)C[C@H](C)NC(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C	ZINC000462107771	843315570	/nfs/dbraw/zinc/31/55/70/843315570.db2.gz	IFBODYOAVWXGHB-AWEZNQCLSA-N	1	0	355.446	2.299	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(=O)NCC3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105666783	843318038	/nfs/dbraw/zinc/31/80/38/843318038.db2.gz	JUILPYASEPIJRT-PDOICOKGSA-N	1	0	363.502	1.055	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCCCCC1	ZINC000477895100	843441998	/nfs/dbraw/zinc/44/19/98/843441998.db2.gz	LSHZKCBFFZCAEZ-CQSZACIVSA-N	1	0	358.442	1.886	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H](NCC#N)C2)[C@H]1C(C)C	ZINC001105668410	843794636	/nfs/dbraw/zinc/79/46/36/843794636.db2.gz	WVHDSSNGHAQWDB-RWQQGDIJSA-N	1	0	350.507	1.208	20	30		FDEDRO
C[C@H](CCC#N)C[NH2+][C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1	ZINC000898530190	844825436	/nfs/dbraw/zinc/82/54/36/844825436.db2.gz	YWRILOVLUXHEBF-ZIAGYGMSSA-N	1	0	350.463	1.736	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1	ZINC000991430513	861531932	/nfs/dbraw/zinc/53/19/32/861531932.db2.gz	RPVMYLIMHFBZCJ-SQNIBIBYSA-N	1	0	363.502	1.558	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)[C@@H]1CCCO1	ZINC000842161967	845109994	/nfs/dbraw/zinc/10/99/94/845109994.db2.gz	DNTHZZZCNKKRMC-FHWLQOOXSA-N	1	0	365.433	1.253	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](c3n[nH]cc3C(=O)OCC)C2)CC1	ZINC000898761137	845158199	/nfs/dbraw/zinc/15/81/99/845158199.db2.gz	GMEMIERHACDWKM-OAHLLOKOSA-N	1	0	358.442	1.248	20	30		FDEDRO
CCCN(C(=O)C(=O)NCc1ccc(OC)c(C#N)c1)C1CC[NH2+]CC1	ZINC000842180989	845387909	/nfs/dbraw/zinc/38/79/09/845387909.db2.gz	SDEHZGFHNAGKIK-UHFFFAOYSA-N	1	0	358.442	1.174	20	30		FDEDRO
C=C(Cl)CN1CC[C@H](NC(=O)[C@@H]2COCCN2C2CCCC2)[C@H]1C	ZINC001088813628	845449602	/nfs/dbraw/zinc/44/96/02/845449602.db2.gz	CZUMSVJNUNXQFW-PVAVHDDUSA-N	1	0	355.910	1.961	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1[N@H+](CCn1cccn1)CC2	ZINC000990740700	845457804	/nfs/dbraw/zinc/45/78/04/845457804.db2.gz	KYBBGAZYPJPFKI-DOADOZAASA-N	1	0	358.486	1.978	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)CCC[NH+]2CCCC2)C[C@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001105674950	845615499	/nfs/dbraw/zinc/61/54/99/845615499.db2.gz	JVVVNZQOIGORQU-LFGUQSLTSA-N	1	0	362.518	1.352	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCn3cccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105675155	845650719	/nfs/dbraw/zinc/65/07/19/845650719.db2.gz	MIVCWZZISOCCDG-HNBVOPMISA-N	1	0	360.502	1.815	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCCC(=O)NC)[C@H]2C(C)C)C[C@H]1O	ZINC001105675192	845652213	/nfs/dbraw/zinc/65/22/13/845652213.db2.gz	MMZFMPMCPUSNRB-YAJHFMINSA-N	1	0	365.518	1.445	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCn3cccc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105675461	845703137	/nfs/dbraw/zinc/70/31/37/845703137.db2.gz	OZXLUZTYPOTJCU-QCFAMHMHSA-N	1	0	357.498	1.868	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1	ZINC000899098176	845790810	/nfs/dbraw/zinc/79/08/10/845790810.db2.gz	LPUPVKFMKCRXTM-LJQANCHMSA-N	1	0	372.513	1.915	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1	ZINC000899180176	845914120	/nfs/dbraw/zinc/91/41/20/845914120.db2.gz	WSVXVTAEQOPNIK-KRWDZBQOSA-N	1	0	358.417	1.067	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1	ZINC000111266103	846394783	/nfs/dbraw/zinc/39/47/83/846394783.db2.gz	MRDAKBUCMCKARA-UKRRQHHQSA-N	1	0	363.421	1.682	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)CC1	ZINC000899594223	846477650	/nfs/dbraw/zinc/47/76/50/846477650.db2.gz	YYCMZZVZASHAMP-AWEZNQCLSA-N	1	0	355.479	1.371	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000899942850	846917378	/nfs/dbraw/zinc/91/73/78/846917378.db2.gz	LPKDOMRWYYSREF-UHFFFAOYSA-N	1	0	351.472	1.027	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000448686785	846947507	/nfs/dbraw/zinc/94/75/07/846947507.db2.gz	MCGLNQPUXNQURZ-UXHICEINSA-N	1	0	357.498	1.902	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)NCc1ccc(S(=O)(=O)N(CC)CC)cc1	ZINC000899982132	846965832	/nfs/dbraw/zinc/96/58/32/846965832.db2.gz	HHBQBDNTQDHIQN-UHFFFAOYSA-N	1	0	367.515	1.841	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1CC#Cc1ccc(C(F)(F)F)cc1	ZINC001088831745	847069240	/nfs/dbraw/zinc/06/92/40/847069240.db2.gz	BXGJXLNQOSZSML-RISCZKNCSA-N	1	0	353.344	1.121	20	30		FDEDRO
O=C(Cc1ccc(=O)[nH]c1)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21	ZINC001076054598	847171104	/nfs/dbraw/zinc/17/11/04/847171104.db2.gz	NCBPSOOWZDQLLA-VQTJNVASSA-N	1	0	361.445	1.914	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cnnn4)cn3)[C@@H]2C1	ZINC001076084601	847219676	/nfs/dbraw/zinc/21/96/76/847219676.db2.gz	ATOYEUABKMWIFS-WMLDXEAASA-N	1	0	353.430	1.170	20	30		FDEDRO
C=C(Br)CN1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C1	ZINC001076240243	847626763	/nfs/dbraw/zinc/62/67/63/847626763.db2.gz	QTLIHVBKFAMBCW-QLFBSQMISA-N	1	0	356.308	1.912	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)CCc4cn[nH]n4)[C@@H]3C2)cc1	ZINC001076261356	847712835	/nfs/dbraw/zinc/71/28/35/847712835.db2.gz	DTWSIXYEXRFJPY-FUHWJXTLSA-N	1	0	350.426	1.342	20	30		FDEDRO
Cc1nonc1CC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001076415198	848088865	/nfs/dbraw/zinc/08/88/65/848088865.db2.gz	CNLHXIKWJWWBFZ-FUHWJXTLSA-N	1	0	351.410	1.525	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)c(F)c1	ZINC001076467745	848194949	/nfs/dbraw/zinc/19/49/49/848194949.db2.gz	QDQJWZAZSZDRGT-PKOBYXMFSA-N	1	0	368.456	1.826	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(Cc4ccccc4C#N)C[C@H]32)C1	ZINC001076462226	848209862	/nfs/dbraw/zinc/20/98/62/848209862.db2.gz	MPEDNCIRCQJKCL-LSTHTHJFSA-N	1	0	352.482	1.933	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccn(C)c(=O)c4)C[C@H]32)nc1	ZINC001076476088	848240428	/nfs/dbraw/zinc/24/04/28/848240428.db2.gz	VHPVXPRUNUANIL-PKOBYXMFSA-N	1	0	362.433	1.108	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ncccc4OC)[C@@H]3C2)C1=O	ZINC001076500165	848291476	/nfs/dbraw/zinc/29/14/76/848291476.db2.gz	XZEGAPOMNLQTKH-ARFHVFGLSA-N	1	0	370.453	1.023	20	30		FDEDRO
C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(Cc4ccc(F)c(C#N)c4)C[C@H]32)C1	ZINC001076569206	848465841	/nfs/dbraw/zinc/46/58/41/848465841.db2.gz	NOXLPNVDSXMXHF-TXPKVOOTSA-N	1	0	356.445	1.682	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC	ZINC001076726685	848857829	/nfs/dbraw/zinc/85/78/29/848857829.db2.gz	SCTVQEJUWTVRST-JYJNAYRXSA-N	1	0	353.507	1.709	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1	ZINC001076727354	848869715	/nfs/dbraw/zinc/86/97/15/848869715.db2.gz	LQLZDOGRMHYYIU-ULQDDVLXSA-N	1	0	365.518	1.853	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCc4ccccc43)C[C@H]2O)[nH]1	ZINC001076898750	849284783	/nfs/dbraw/zinc/28/47/83/849284783.db2.gz	YSWVSZHCQALDFU-CEXWTWQISA-N	1	0	350.422	1.739	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCc4ccccc4C3)C[C@H]2O)c[nH]1	ZINC001076907290	849302706	/nfs/dbraw/zinc/30/27/06/849302706.db2.gz	JFKDEBLSUXAMKK-JSNMRZPZSA-N	1	0	364.449	1.466	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCc2ccc(C)cc2)C[C@H]1O	ZINC001077159168	849955323	/nfs/dbraw/zinc/95/53/23/849955323.db2.gz	RTSSCYUXNGXTIR-QHAWAJNXSA-N	1	0	369.509	1.187	20	30		FDEDRO
C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Br)c(C#N)c2)CC[NH2+]1	ZINC000903495229	850201604	/nfs/dbraw/zinc/20/16/04/850201604.db2.gz	SOVZATCKPWPZRR-ONGXEEELSA-N	1	0	358.261	1.740	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@H]2O)cc1	ZINC001077245934	850233818	/nfs/dbraw/zinc/23/38/18/850233818.db2.gz	MJOYEYSFKZUTSL-ATZDWAIDSA-N	1	0	360.454	1.453	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)s1	ZINC001077395980	850815577	/nfs/dbraw/zinc/81/55/77/850815577.db2.gz	IKSBVOFYOISOPX-IAGOWNOFSA-N	1	0	367.434	1.243	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H](C[C@H]2COCCO2)C(F)(F)F)CC1	ZINC000668369760	851049464	/nfs/dbraw/zinc/04/94/64/851049464.db2.gz	DPTYPHVRTWLNFD-UONOGXRCSA-N	1	0	350.381	1.737	20	30		FDEDRO
COC[C@@H]1C[NH2+]CCN1C(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F	ZINC000904537752	851282025	/nfs/dbraw/zinc/28/20/25/851282025.db2.gz	JFOOBGIQRPIMPN-UONOGXRCSA-N	1	0	356.348	1.791	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H]([NH2+]C[C@@H](O)CC3(CO)CCCC3)C2=O)cc1	ZINC000905229256	851737650	/nfs/dbraw/zinc/73/76/50/851737650.db2.gz	ITSZHBYCECSJOD-OALUTQOASA-N	1	0	371.481	1.552	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H]([NH2+]C[C@@H](O)CC3(O)CCCC3)C2=O)cc1	ZINC000905230380	851738766	/nfs/dbraw/zinc/73/87/66/851738766.db2.gz	MHRBPCMHZUJFHS-ZWKOTPCHSA-N	1	0	357.454	1.305	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([NH2+]C[C@@H](O)CC3(CO)CCCC3)C2=O)cc1	ZINC000905199870	851743657	/nfs/dbraw/zinc/74/36/57/851743657.db2.gz	CCQQHLZNZQSSJQ-RBUKOAKNSA-N	1	0	371.481	1.947	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NCC#CC[NH+](C)C	ZINC000913514922	862293669	/nfs/dbraw/zinc/29/36/69/862293669.db2.gz	AUZFRIHMHLOFMK-UHFFFAOYSA-N	1	0	365.499	1.367	20	30		FDEDRO
CCCCCn1nc(C(=O)NCC#CC[NH+](C)C)c2ccccc2c1=O	ZINC000913515434	862295173	/nfs/dbraw/zinc/29/51/73/862295173.db2.gz	XEJSWPJBBQRVNB-UHFFFAOYSA-N	1	0	354.454	1.882	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)cc1	ZINC000905446739	851924229	/nfs/dbraw/zinc/92/42/29/851924229.db2.gz	LEVYARSNILVPQG-LLVKDONJSA-N	1	0	372.315	1.480	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCC3(CCOCC3)CO2)cc1	ZINC000905426829	851932836	/nfs/dbraw/zinc/93/28/36/851932836.db2.gz	VAXZXAMVSLFNLH-IEBWSBKVSA-N	1	0	360.454	1.863	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccnc1	ZINC000913517741	862300126	/nfs/dbraw/zinc/30/01/26/862300126.db2.gz	NXXXCGGUEKMRCA-LJQANCHMSA-N	1	0	364.449	1.104	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1	ZINC000913517173	862300942	/nfs/dbraw/zinc/30/09/42/862300942.db2.gz	WAVLBMCCGASQRC-UHFFFAOYSA-N	1	0	370.474	1.955	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1	ZINC000913517740	862301111	/nfs/dbraw/zinc/30/11/11/862301111.db2.gz	NXXXCGGUEKMRCA-IBGZPJMESA-N	1	0	364.449	1.104	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)CNc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000905438448	851942067	/nfs/dbraw/zinc/94/20/67/851942067.db2.gz	KIEMWUWVUAKCMK-UXHICEINSA-N	1	0	357.502	1.589	20	30		FDEDRO
Cc1c(C(=O)NCC#CC[NH+](C)C)nnn1-c1ccc(OC(C)C)cc1	ZINC000913518294	862302851	/nfs/dbraw/zinc/30/28/51/862302851.db2.gz	LPHGISJXWOGSGL-UHFFFAOYSA-N	1	0	355.442	1.658	20	30		FDEDRO
COc1ccc(C(=O)NCC#CC[NH+](C)C)c(I)c1	ZINC000913519926	862304475	/nfs/dbraw/zinc/30/44/75/862304475.db2.gz	VASVSHHAKACNRA-UHFFFAOYSA-N	1	0	372.206	1.595	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@H]2CCN2C2CCOCC2)c1	ZINC000905619967	852092258	/nfs/dbraw/zinc/09/22/58/852092258.db2.gz	PMJCXIQEDPHGNZ-QGZVFWFLSA-N	1	0	363.483	1.175	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]CCc1cccc2c1OCCO2	ZINC000905616754	852114344	/nfs/dbraw/zinc/11/43/44/852114344.db2.gz	MPFCJDUEQXCXOY-QGZVFWFLSA-N	1	0	354.406	1.901	20	30		FDEDRO
CC(C)(C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C1CCOCC1	ZINC000905640765	852135775	/nfs/dbraw/zinc/13/57/75/852135775.db2.gz	NXJPJTLXKARBJR-UHFFFAOYSA-N	1	0	351.472	1.769	20	30		FDEDRO
C=CC[C@@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C(=O)OC	ZINC000905759082	852249740	/nfs/dbraw/zinc/24/97/40/852249740.db2.gz	ILTHAEZZQLRABS-QZTJIDSGSA-N	1	0	359.470	1.591	20	30		FDEDRO
C=CC[C@@H](NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C(=O)OC	ZINC000905772301	852256688	/nfs/dbraw/zinc/25/66/88/852256688.db2.gz	MNCDQZWZJFVNQT-GOSISDBHSA-N	1	0	359.470	1.591	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1	ZINC000668486274	852257711	/nfs/dbraw/zinc/25/77/11/852257711.db2.gz	MAJHUMSRUIGZPO-KRWDZBQOSA-N	1	0	370.497	1.977	20	30		FDEDRO
C[C@H]([NH2+][C@H]1CCCN2CCSC[C@@H]12)C(=O)NC1(C#N)CCCCC1	ZINC000905852303	852353323	/nfs/dbraw/zinc/35/33/23/852353323.db2.gz	HQPLLVQBLYNOTR-JYJNAYRXSA-N	1	0	350.532	1.887	20	30		FDEDRO
CN1CC[N@H+](C)CC(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)C1	ZINC000906630026	853117045	/nfs/dbraw/zinc/11/70/45/853117045.db2.gz	NXTYPDCFGHVHIN-HNNXBMFYSA-N	1	0	354.376	1.880	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C	ZINC000906710216	853199590	/nfs/dbraw/zinc/19/95/90/853199590.db2.gz	ZPKWRANENNHELI-DOMZBBRYSA-N	1	0	360.483	1.991	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)cc1C#N	ZINC000906764533	853282302	/nfs/dbraw/zinc/28/23/02/853282302.db2.gz	DDUQJDWRWTZAFH-IBGZPJMESA-N	1	0	356.426	1.638	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@]2(C#N)CC3CCC2CC3)CC1	ZINC000907043189	853685626	/nfs/dbraw/zinc/68/56/26/853685626.db2.gz	MFONKSGSUQLMMS-AEBIURJHSA-N	1	0	358.486	1.471	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000907015725	853695638	/nfs/dbraw/zinc/69/56/38/853695638.db2.gz	DBLHJFJGUZUMBR-OAHLLOKOSA-N	1	0	352.460	1.075	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1OC	ZINC001212148274	862528263	/nfs/dbraw/zinc/52/82/63/862528263.db2.gz	FQQIMYLREHDAMC-KZNAEPCWSA-N	1	0	352.475	1.191	20	30		FDEDRO
C[NH+](C)CCCOc1cnccc1CNC(=O)c1cccc(C#CCO)c1	ZINC000908233937	855216057	/nfs/dbraw/zinc/21/60/57/855216057.db2.gz	BYULXDJRYNIYTP-UHFFFAOYSA-N	1	0	367.449	1.686	20	30		FDEDRO
CC(C)C[C@H](NC(=O)c1ccsc1C#N)C(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000908369384	855354434	/nfs/dbraw/zinc/35/44/34/855354434.db2.gz	LBCICQWADYLWFK-HIFRSBDPSA-N	1	0	362.499	1.927	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)OCC(C)C)C2	ZINC001112277594	855481045	/nfs/dbraw/zinc/48/10/45/855481045.db2.gz	FDCTXTGAGIYUFT-BJLQDIEVSA-N	1	0	350.503	1.916	20	30		FDEDRO
C#C[C@@H](NC(=O)C1CN(C)CC[N@H+](C)C1)c1ccc(Br)cc1	ZINC000908517123	855512703	/nfs/dbraw/zinc/51/27/03/855512703.db2.gz	MTMBSJLBEKWLPX-MRXNPFEDSA-N	1	0	364.287	1.733	20	30		FDEDRO
C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(c2cc[nH+]cc2)[C@H](C)C1	ZINC000908655904	855660700	/nfs/dbraw/zinc/66/07/00/855660700.db2.gz	XRYROALQVMDDGP-WBVHZDCISA-N	1	0	370.457	1.662	20	30		FDEDRO
C=CCn1c(-c2ncnc3[nH]cnc32)nnc1N1CC[NH+](C(C)C)CC1	ZINC000908712346	855715684	/nfs/dbraw/zinc/71/56/84/855715684.db2.gz	RQCOGHMJPHKJIY-UHFFFAOYSA-N	1	0	353.434	1.279	20	30		FDEDRO
C#CCCCc1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CC=C	ZINC000908726153	855754424	/nfs/dbraw/zinc/75/44/24/855754424.db2.gz	DCZQPKBVUVIVHD-GOSISDBHSA-N	1	0	357.502	1.969	20	30		FDEDRO
C=C(C)Cn1c(-c2cccnn2)nnc1N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1	ZINC000909308016	856421412	/nfs/dbraw/zinc/42/14/12/856421412.db2.gz	VIYVLJBNEYPEOT-IYBDPMFKSA-N	1	0	371.489	1.857	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1	ZINC000487754040	856724273	/nfs/dbraw/zinc/72/42/73/856724273.db2.gz	OADSCTPISVOCBD-SZMVWBNQSA-N	1	0	365.518	1.732	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)CCOC)C[C@H]2C)c1	ZINC001105750707	862910281	/nfs/dbraw/zinc/91/02/81/862910281.db2.gz	RVPRASRABNOEAT-NVXWUHKLSA-N	1	0	357.454	1.327	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)O[C@@](C)(C(F)F)C2)CC1	ZINC000668836499	857520448	/nfs/dbraw/zinc/52/04/48/857520448.db2.gz	ZXNWWCOBELZWPL-YVEFUNNKSA-N	1	0	359.417	1.024	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](OC)C2CCCC2)CC1	ZINC000668835964	857525404	/nfs/dbraw/zinc/52/54/04/857525404.db2.gz	NJLDFQYVDYGSQG-QGZVFWFLSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1	ZINC000911047274	858083939	/nfs/dbraw/zinc/08/39/39/858083939.db2.gz	GIGQZPDVOKMYGY-RRFJBIMHSA-N	1	0	369.387	1.638	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC2(COC2)C1	ZINC000669334793	863001720	/nfs/dbraw/zinc/00/17/20/863001720.db2.gz	FIUDKCBMPGJONU-CVEARBPZSA-N	1	0	359.474	1.617	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cc1	ZINC000911311096	858478483	/nfs/dbraw/zinc/47/84/83/858478483.db2.gz	AERAXXAYZWIKLJ-UONOGXRCSA-N	1	0	368.359	1.107	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCCCCN1CC[NH2+]CC1	ZINC000911435155	858616875	/nfs/dbraw/zinc/61/68/75/858616875.db2.gz	CZGVNVLSRWQCMI-MSOLQXFVSA-N	1	0	364.534	1.429	20	30		FDEDRO
C=C(C)Cn1c(-c2cc[nH]n2)nnc1N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000669344363	863055837	/nfs/dbraw/zinc/05/58/37/863055837.db2.gz	UNSBMMWQHPLKLS-OAHLLOKOSA-N	1	0	359.478	1.791	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2)C[C@H]1C	ZINC001105772525	863056510	/nfs/dbraw/zinc/05/65/10/863056510.db2.gz	KKSMFIPAZKYEMN-SJLPKXTDSA-N	1	0	356.470	1.746	20	30		FDEDRO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(F)(F)c1ccccc1C#N	ZINC000911544181	858743481	/nfs/dbraw/zinc/74/34/81/858743481.db2.gz	HONPXQLBEYQWSB-LBPRGKRZSA-N	1	0	350.369	1.228	20	30		FDEDRO
C[C@H]1CN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)C[C@H](C)N1CC#N	ZINC000911705083	858935786	/nfs/dbraw/zinc/93/57/86/858935786.db2.gz	ANYPJGNXVDIMCJ-ROUUACIJSA-N	1	0	370.501	1.038	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1	ZINC000668910993	859221283	/nfs/dbraw/zinc/22/12/83/859221283.db2.gz	NUADTGRLYZQDOM-SJORKVTESA-N	1	0	362.518	1.086	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1	ZINC000668910991	859221649	/nfs/dbraw/zinc/22/16/49/859221649.db2.gz	NUADTGRLYZQDOM-IRXDYDNUSA-N	1	0	362.518	1.086	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc3nccn3c2)C[C@H]1C	ZINC001106865380	881403092	/nfs/dbraw/zinc/40/30/92/881403092.db2.gz	JMNDQOLSHRQSGQ-HLLBOEOZSA-N	1	0	369.469	1.323	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC([NH+]3CCCC3)C2)ccc1F	ZINC000912326369	859612267	/nfs/dbraw/zinc/61/22/67/859612267.db2.gz	JNBVHNDAMRKIPI-UHFFFAOYSA-N	1	0	367.446	1.210	20	30		FDEDRO
CN(CC[N@H+](C)CCO)C(=O)c1ccc(COc2ccc(C#N)cc2)o1	ZINC000912606485	859948303	/nfs/dbraw/zinc/94/83/03/859948303.db2.gz	GNJDLEZHCATXNT-UHFFFAOYSA-N	1	0	357.410	1.726	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@H](OC(F)F)C1	ZINC000669032693	860836968	/nfs/dbraw/zinc/83/69/68/860836968.db2.gz	SFQUENUHVPFCFH-RDBSUJKOSA-N	1	0	369.416	1.818	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@@H](CO)[C@@H]1C	ZINC000669032705	860837187	/nfs/dbraw/zinc/83/71/87/860837187.db2.gz	SSSVBRMLVYQNKY-NXOAAHMSSA-N	1	0	361.490	1.597	20	30		FDEDRO
C=CCn1c(-c2cn(C)nn2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1	ZINC000669040375	860951264	/nfs/dbraw/zinc/95/12/64/860951264.db2.gz	OTTZJWKAECBMKY-UHFFFAOYSA-N	1	0	358.494	1.816	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H]([NH+]3CCC3)C2)s1	ZINC000912900541	860994391	/nfs/dbraw/zinc/99/43/91/860994391.db2.gz	MIDPGMYXUJGSKD-CYBMUJFWSA-N	1	0	369.512	1.062	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CC[C@@H]([NH+]3CCC3)C2)CC1	ZINC000912903536	861034914	/nfs/dbraw/zinc/03/49/14/861034914.db2.gz	RTAQKCMEARZEFS-QGZVFWFLSA-N	1	0	361.486	1.944	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C	ZINC001106872107	881617793	/nfs/dbraw/zinc/61/77/93/881617793.db2.gz	FOLINCCOJIIWLF-HZPDHXFCSA-N	1	0	364.490	1.311	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CO[C@@H]2CCOC2)C[C@H]1C(F)(F)F	ZINC001112101628	863301524	/nfs/dbraw/zinc/30/15/24/863301524.db2.gz	VBPOENYOFWYWTO-MGPQQGTHSA-N	1	0	350.381	1.737	20	30		FDEDRO
C=CCc1cc(C[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)cc(OC)c1O	ZINC000673886169	881646491	/nfs/dbraw/zinc/64/64/91/881646491.db2.gz	SFIKFWZJCTWPGN-QGZVFWFLSA-N	1	0	360.454	1.999	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]CCn1cc(Cl)cn1	ZINC001105845935	863474402	/nfs/dbraw/zinc/47/44/02/863474402.db2.gz	AQKBVYFYBCKLBG-CHWSQXEVSA-N	1	0	355.895	1.477	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]C[C@@H](O)C1CCCCC1	ZINC001105846494	863477257	/nfs/dbraw/zinc/47/72/57/863477257.db2.gz	YBNPBZRZHYJVHE-DJIMGWMZSA-N	1	0	353.532	1.868	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]Cc1ccnc(N(C)C)c1	ZINC001105849338	863497488	/nfs/dbraw/zinc/49/74/88/863497488.db2.gz	PITDSXRJVMDYCH-GDBMZVCRSA-N	1	0	361.515	1.588	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)COC2CCCC2)C[C@H]1C	ZINC001105861501	863543439	/nfs/dbraw/zinc/54/34/39/863543439.db2.gz	AJGXGXMVTPJUOK-BZUAXINKSA-N	1	0	351.491	1.320	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cncs2)C[C@H]1C	ZINC001105878171	863612560	/nfs/dbraw/zinc/61/25/60/863612560.db2.gz	IZPIBAGAPHZRJS-ZIAGYGMSSA-N	1	0	363.487	1.203	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)OCC)C[C@H]1C	ZINC001105892673	863728520	/nfs/dbraw/zinc/72/85/20/863728520.db2.gz	CSIRQYKACYHZSI-KZNAEPCWSA-N	1	0	365.518	1.686	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC000761027601	863793659	/nfs/dbraw/zinc/79/36/59/863793659.db2.gz	ZCXKQBCHOVGPHT-ZIAGYGMSSA-N	1	0	360.389	1.410	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@H](CC)OC)C[C@H]2C)c1	ZINC001105907013	863872631	/nfs/dbraw/zinc/87/26/31/863872631.db2.gz	UUGMHYULPNUWNB-SUMDDJOVSA-N	1	0	371.481	1.716	20	30		FDEDRO
C[NH+](C)Cc1cccc(CNC(=O)NCCNc2ccc(C#N)cn2)c1	ZINC000916520149	881707580	/nfs/dbraw/zinc/70/75/80/881707580.db2.gz	CDODBJHYEZVTGJ-UHFFFAOYSA-N	1	0	352.442	1.926	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)COCCC)C[C@H]1C	ZINC001105910140	863919399	/nfs/dbraw/zinc/91/93/99/863919399.db2.gz	PLLPEHOKZBGBKZ-IAGOWNOFSA-N	1	0	351.491	1.298	20	30		FDEDRO
CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@]2(C)C1	ZINC001101189780	863958252	/nfs/dbraw/zinc/95/82/52/863958252.db2.gz	IIRIFVJQMSUPDE-KKVAFCGZSA-N	1	0	371.485	1.441	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cocn2)C[C@H]1C	ZINC001105932928	864094436	/nfs/dbraw/zinc/09/44/36/864094436.db2.gz	BSYOCFORRKFMND-OWCLPIDISA-N	1	0	362.474	1.785	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001105936566	864116284	/nfs/dbraw/zinc/11/62/84/864116284.db2.gz	GIIHWUUNQJYIQR-QGPMSJSTSA-N	1	0	357.429	1.140	20	30		FDEDRO
CCC(=O)NCC(=O)N1C[C@@H](C[NH2+]Cc2cc(C#N)ccc2F)[C@H](C)C1	ZINC001105945297	864180749	/nfs/dbraw/zinc/18/07/49/864180749.db2.gz	SISJCLKXPJFCTB-CZUORRHYSA-N	1	0	360.433	1.408	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)c1	ZINC001105946450	864190431	/nfs/dbraw/zinc/19/04/31/864190431.db2.gz	UEUMYGHHGBTSLF-BFYDXBDKSA-N	1	0	352.438	1.450	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]CCn2cnc3ccccc3c2=O)[C@H](C)C1	ZINC001105946288	864190563	/nfs/dbraw/zinc/19/05/63/864190563.db2.gz	PMEHEYZNEZGUIB-ARFHVFGLSA-N	1	0	367.453	1.240	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cc(F)ccc2F)[C@H](C)C1	ZINC001105951331	864209625	/nfs/dbraw/zinc/20/96/25/864209625.db2.gz	BUCJMRORBRNKKR-JHJVBQTASA-N	1	0	364.396	1.747	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)Cc2ccsc2)[C@H](C)C1	ZINC001105952123	864211352	/nfs/dbraw/zinc/21/13/52/864211352.db2.gz	RDWQKUKPNZUFBB-SQWLQELKSA-N	1	0	362.499	1.550	20	30		FDEDRO
Cc1ccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)c(F)c1	ZINC001105951911	864211609	/nfs/dbraw/zinc/21/16/09/864211609.db2.gz	MTALEKVNXBWYAX-RBSFLKMASA-N	1	0	360.433	1.916	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]CCOCCOc2ccccc2)[C@H](C)C1	ZINC001105952308	864212591	/nfs/dbraw/zinc/21/25/91/864212591.db2.gz	VGTDROAISCRTLG-KZNAEPCWSA-N	1	0	359.470	1.926	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCC2CC2)C[C@H]1C	ZINC001105964451	864251130	/nfs/dbraw/zinc/25/11/30/864251130.db2.gz	IIIQMJZBOXWZEB-IJEWVQPXSA-N	1	0	364.490	1.261	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ocnc2C)C[C@H]1C	ZINC001105988862	864379272	/nfs/dbraw/zinc/37/92/72/864379272.db2.gz	GDWNXFSXWFOZBP-GDBMZVCRSA-N	1	0	360.458	1.481	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1CN(CC(=O)N(CC(C)C)C2CC2)C[C@H]1OC	ZINC001212184776	864527147	/nfs/dbraw/zinc/52/71/47/864527147.db2.gz	HGCWXSOKJKBUEJ-QZTJIDSGSA-N	1	0	363.502	1.252	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]CCOC[C@H]1CCCO1	ZINC001106016391	864639360	/nfs/dbraw/zinc/63/93/60/864639360.db2.gz	WTJSIHPIAWCOQR-BFYDXBDKSA-N	1	0	360.458	1.380	20	30		FDEDRO
C=CCN1C(=O)N([C@@H]2CC[N@@H+](CCOC)C2)C(=O)[C@H]1Cc1ccccc1	ZINC000761256204	864647387	/nfs/dbraw/zinc/64/73/87/864647387.db2.gz	MKMATKVOHWMINB-QZTJIDSGSA-N	1	0	357.454	1.769	20	30		FDEDRO
Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)no1	ZINC001106016033	864656449	/nfs/dbraw/zinc/65/64/49/864656449.db2.gz	PTQUBAOPMDKIPM-DGCLKSJQSA-N	1	0	370.413	1.119	20	30		FDEDRO
CCN(CC)C(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC001106021538	864720671	/nfs/dbraw/zinc/72/06/71/864720671.db2.gz	YJKVMGTXOOGNOL-RBSFLKMASA-N	1	0	359.474	1.441	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3cccnc3C)[C@H]2C)C1=O	ZINC001088857325	864735765	/nfs/dbraw/zinc/73/57/65/864735765.db2.gz	LBXXEGKEVGRNBJ-BPQIPLTHSA-N	1	0	356.470	1.298	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]CC(=O)N1CCC[C@H](C)C1	ZINC001106024661	864781565	/nfs/dbraw/zinc/78/15/65/864781565.db2.gz	JUDYASQQVUZLQQ-ZMSDIMECSA-N	1	0	371.485	1.443	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+]CC2CCS(=O)(=O)CC2)[C@H](C)C1	ZINC001106025791	864813994	/nfs/dbraw/zinc/81/39/94/864813994.db2.gz	IBZKJQUZAMAUQH-SJLPKXTDSA-N	1	0	368.543	1.689	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(CC)c2)[C@H](C)C1	ZINC001106028990	864875315	/nfs/dbraw/zinc/87/53/15/864875315.db2.gz	CYYAHEBRRYTAAM-VQIMIIECSA-N	1	0	355.482	1.573	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2nc(C)c(C)s2)[C@H](C)C1	ZINC001106029421	864881146	/nfs/dbraw/zinc/88/11/46/864881146.db2.gz	QLJXRVAZDUSIGT-IUODEOHRSA-N	1	0	362.499	1.084	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc3cc[nH]c3c2)[C@H](C)C1	ZINC001106034733	864915177	/nfs/dbraw/zinc/91/51/77/864915177.db2.gz	LNDKGJOUOHLTEW-CRAIPNDOSA-N	1	0	366.465	1.492	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(=O)NC)cc2)[C@@H]1C	ZINC001088868338	865000892	/nfs/dbraw/zinc/00/08/92/865000892.db2.gz	XOXVIYWIDUVPPN-OAOYMFHYSA-N	1	0	371.481	1.716	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@@H](O)c2cccc(F)c2)CC1	ZINC000170911751	865016355	/nfs/dbraw/zinc/01/63/55/865016355.db2.gz	LAZFUGRUGCWLEE-OAHLLOKOSA-N	1	0	366.437	1.727	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NCC(F)(F)F)[C@H](C)C1	ZINC001106057276	865061600	/nfs/dbraw/zinc/06/16/00/865061600.db2.gz	ZDQGSYKQXUYUSV-HZSPNIEDSA-N	1	0	361.408	1.541	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]CC[C@H]2CCS(=O)(=O)C2)[C@H](C)C1	ZINC001106065148	865104849	/nfs/dbraw/zinc/10/48/49/865104849.db2.gz	RDTVKTOFJKGCSX-IXDOHACOSA-N	1	0	354.516	1.299	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)C2CC2)[C@H](C)C1	ZINC001106064513	865107491	/nfs/dbraw/zinc/10/74/91/865107491.db2.gz	AZKPDCPIKBQZIU-CLCXKQKWSA-N	1	0	351.491	1.009	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)[C@H](C)C1	ZINC001106064784	865109447	/nfs/dbraw/zinc/10/94/47/865109447.db2.gz	IDMJGCWXILWJRG-IDHHARJASA-N	1	0	359.445	1.840	20	30		FDEDRO
C[NH+]=C(NCc1c(C)noc1C)NCC1(N2CCOCC2)CCCCC1	ZINC000171617137	865272822	/nfs/dbraw/zinc/27/28/22/865272822.db2.gz	HJDOKBZMWPMNOF-UHFFFAOYSA-N	1	0	363.506	1.992	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(CO)cc3)[C@@H]2C)nn1	ZINC001088907351	865371817	/nfs/dbraw/zinc/37/18/17/865371817.db2.gz	NPCALRRJWXDUSD-PBHICJAKSA-N	1	0	355.442	1.349	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](C[C@@H](O)c3ccccc3)[C@@H]2C)nn1	ZINC001088907296	865373182	/nfs/dbraw/zinc/37/31/82/865373182.db2.gz	KPUPHKOJVJARJT-UWWQBHOKSA-N	1	0	355.442	1.390	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccncn2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088929953	865504723	/nfs/dbraw/zinc/50/47/23/865504723.db2.gz	BKLZZJZYAPHDIS-PBHICJAKSA-N	1	0	351.410	1.772	20	30		FDEDRO
COc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)nn1	ZINC001088960169	865720363	/nfs/dbraw/zinc/72/03/63/865720363.db2.gz	REFNXYWDFKGJBT-CJNGLKHVSA-N	1	0	351.410	1.750	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C[C@@H](O)Cc3ccccc3)[C@@H]2C)nc1	ZINC001088990816	865950705	/nfs/dbraw/zinc/95/07/05/865950705.db2.gz	RGBORDJQLULXRZ-UXPWSPDFSA-N	1	0	363.461	1.859	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1	ZINC000991988670	866897149	/nfs/dbraw/zinc/89/71/49/866897149.db2.gz	UQHIKHNAFKVEPT-BZSNNMDCSA-N	1	0	363.502	1.558	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000992046746	867457566	/nfs/dbraw/zinc/45/75/66/867457566.db2.gz	MAWCDSDBJIHCEN-MPCAOIJTSA-N	1	0	357.458	1.241	20	30		FDEDRO
C=CC(C)(C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001061617074	882102785	/nfs/dbraw/zinc/10/27/85/882102785.db2.gz	YTPAWAXCVCYLDU-IXDOHACOSA-N	1	0	365.518	1.663	20	30		FDEDRO
C[C@H](NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C)c1ccco1	ZINC001106106005	868164102	/nfs/dbraw/zinc/16/41/02/868164102.db2.gz	CTXFHSGNXGCADD-HLLBOEOZSA-N	1	0	357.454	1.554	20	30		FDEDRO
NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@]12CCC[C@@H]1[N@H+](CC#Cc1ccccc1)CC2	ZINC000992182433	868195184	/nfs/dbraw/zinc/19/51/84/868195184.db2.gz	ROFMQVUUQTYFTI-OEMYIYORSA-N	1	0	351.450	1.273	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C[NH2+]Cc1ncnn1CC(F)F	ZINC001106109514	868300133	/nfs/dbraw/zinc/30/01/33/868300133.db2.gz	KDRCCNMOZGABDB-ZIAGYGMSSA-N	1	0	367.444	1.777	20	30		FDEDRO
N#Cc1cnc2ccccc2c1N1CCN(CC[N@@H+]2CCCOCC2)CC1	ZINC000463072824	868332338	/nfs/dbraw/zinc/33/23/38/868332338.db2.gz	GORSYVZCFZHCEK-UHFFFAOYSA-N	1	0	365.481	1.951	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cnc(OC)nc2C)[C@H](C)C1	ZINC001106110608	868365699	/nfs/dbraw/zinc/36/56/99/868365699.db2.gz	ACCCETUSOOVNEN-UKPHBRMFSA-N	1	0	360.458	1.016	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccnc(N(C)C)c2)[C@H](C)C1	ZINC001106111081	868380636	/nfs/dbraw/zinc/38/06/36/868380636.db2.gz	GWXASGCSJCXQBW-JFIYKMOQSA-N	1	0	358.486	1.370	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C#N)ccc2OC)C[C@@H]1C	ZINC000443354045	868460955	/nfs/dbraw/zinc/46/09/55/868460955.db2.gz	HZIXZDMUISJPER-ZFWWWQNUSA-N	1	0	358.442	1.837	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2nn(C)cc2Cl)[C@H](C)C1	ZINC001106114683	868505748	/nfs/dbraw/zinc/50/57/48/868505748.db2.gz	FWWRQBXKMMSORN-ZIAGYGMSSA-N	1	0	352.866	1.298	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@H]1[N@H+](CCc1cnn(C)c1)CC2	ZINC000992238505	868540912	/nfs/dbraw/zinc/54/09/12/868540912.db2.gz	DYBRIAVADROIGW-AJYBTWMASA-N	1	0	358.486	1.667	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CCCC2CCOCC2)[C@H](C)C1	ZINC001106116970	868583051	/nfs/dbraw/zinc/58/30/51/868583051.db2.gz	VFVMFBKPYMEGER-ZIFCJYIRSA-N	1	0	350.503	1.916	20	30		FDEDRO
C#CCC1(NC(=O)NC2CC[NH+](CCOC(C)C)CC2)CCOCC1	ZINC000888463107	868593977	/nfs/dbraw/zinc/59/39/77/868593977.db2.gz	SWBUQWFCDINOCE-UHFFFAOYSA-N	1	0	351.491	1.748	20	30		FDEDRO
C[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1C(N)=O	ZINC001089226217	868776561	/nfs/dbraw/zinc/77/65/61/868776561.db2.gz	VNGWHIGLWCWWQT-KSZLIROESA-N	1	0	354.454	1.493	20	30		FDEDRO
CN(Cc1ccccc1C#N)C[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1C(N)=O	ZINC001089226186	868783882	/nfs/dbraw/zinc/78/38/82/868783882.db2.gz	VDWLBLSFPDFGQV-KSZLIROESA-N	1	0	354.454	1.493	20	30		FDEDRO
CN(C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1	ZINC001033289273	882235318	/nfs/dbraw/zinc/23/53/18/882235318.db2.gz	BYTPOGWQUSKLHH-LWYYNNOASA-N	1	0	369.465	1.642	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cn(CCOC)nc2C)C[C@H]1C	ZINC001106127899	869029515	/nfs/dbraw/zinc/02/95/15/869029515.db2.gz	XFVCXPXGEVVAMM-NVXWUHKLSA-N	1	0	364.490	1.338	20	30		FDEDRO
C#CCN(C(=O)NCc1ccc(-n2ccnc2)nc1)C1CC[NH+](C)CC1	ZINC000913979953	870225797	/nfs/dbraw/zinc/22/57/97/870225797.db2.gz	JJDWKJOCPUCCCB-UHFFFAOYSA-N	1	0	352.442	1.506	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCNC(=O)c2ccccc2Cl)CC1	ZINC000914002725	870306411	/nfs/dbraw/zinc/30/64/11/870306411.db2.gz	QKXYGCUAOODLQA-UHFFFAOYSA-N	1	0	362.861	1.467	20	30		FDEDRO
CC[NH+](CC)CCN(CCOC)S(=O)(=O)Cc1csc(C#N)c1	ZINC000914067764	870556782	/nfs/dbraw/zinc/55/67/82/870556782.db2.gz	ZVQGSACTMYPZOL-UHFFFAOYSA-N	1	0	359.517	1.740	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H](S(N)(=O)=O)C1)C(C)C	ZINC000914125959	870941159	/nfs/dbraw/zinc/94/11/59/870941159.db2.gz	PZIMBMJILBFIDR-JKSUJKDBSA-N	1	0	372.535	1.148	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1C[C@@H](C)O[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000914144448	871077937	/nfs/dbraw/zinc/07/79/37/871077937.db2.gz	AMMVGKPFVAVZLJ-BEFAXECRSA-N	1	0	367.490	1.731	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCO[C@H]2C(C)C)C[C@H]1C	ZINC001106148581	871386542	/nfs/dbraw/zinc/38/65/42/871386542.db2.gz	SSDOJUJEMWKDHW-VXNCWWDNSA-N	1	0	365.518	1.424	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnc(C)cn2)[C@@H](n2ccnn2)C1	ZINC001128652397	882507117	/nfs/dbraw/zinc/50/71/17/882507117.db2.gz	LQNNXQMOPOHQBQ-OIISXLGYSA-N	1	0	355.446	1.387	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2coc(S(C)(=O)=O)c2)C[C@H]1C	ZINC001106152356	871432531	/nfs/dbraw/zinc/43/25/31/871432531.db2.gz	RCOZQJWHLRYUQE-UKRRQHHQSA-N	1	0	370.471	1.183	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2)C1	ZINC001033431076	882511621	/nfs/dbraw/zinc/51/16/21/882511621.db2.gz	APTVWQWCFQMTNW-KURKYZTESA-N	1	0	357.454	1.409	20	30		FDEDRO
Cc1c(Cl)cccc1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106159493	871473164	/nfs/dbraw/zinc/47/31/64/871473164.db2.gz	UYTOMGCZEYKHDD-TZMCWYRMSA-N	1	0	362.861	1.586	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)[C@H](C)C1	ZINC001106175773	871580577	/nfs/dbraw/zinc/58/05/77/871580577.db2.gz	UCXBICFEQCYNOE-JFIYKMOQSA-N	1	0	368.543	1.874	20	30		FDEDRO
C#CCN(C(=O)NCc1cccc(N2CCOCC2)n1)C1CC[NH+](C)CC1	ZINC000922053895	871622329	/nfs/dbraw/zinc/62/23/29/871622329.db2.gz	IJHYIXQNYVGDOK-UHFFFAOYSA-N	1	0	371.485	1.157	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@@H](O)Cn2cccn2)[C@H](C)C1	ZINC001106179094	871629051	/nfs/dbraw/zinc/62/90/51/871629051.db2.gz	GYKRUMBBDSOTOX-FVQBIDKESA-N	1	0	368.909	1.707	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2c(C)noc2C)[C@@H](n2ccnn2)C1	ZINC001128657557	882538563	/nfs/dbraw/zinc/53/85/63/882538563.db2.gz	VXTJPHPVQHCERW-MAZHCROVSA-N	1	0	358.446	1.893	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@]2(C)C1)[NH+](C)C	ZINC000992741012	871728249	/nfs/dbraw/zinc/72/82/49/871728249.db2.gz	QHSZOXOYBNSZPI-RIFZZMRRSA-N	1	0	371.485	1.393	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](CC)[NH+](C)C)nn1	ZINC001003048474	872410062	/nfs/dbraw/zinc/41/00/62/872410062.db2.gz	GTYROHRBXIWTHQ-SRABZTEZSA-N	1	0	374.489	1.056	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@]3(C)C2)CC[N@@H+]1C	ZINC000992809288	872432496	/nfs/dbraw/zinc/43/24/96/872432496.db2.gz	OINJYVJZLXSKPJ-GIQLZXEWSA-N	1	0	369.469	1.147	20	30		FDEDRO
C=CCC[C@@H](C)N1CCn2ncc(CNC(=O)[C@H]3OCCO[C@H]3C)c2C1	ZINC001128387256	872509815	/nfs/dbraw/zinc/50/98/15/872509815.db2.gz	RNYXHDNCGAGHSC-VKJFTORMSA-N	1	0	362.474	1.474	20	30		FDEDRO
C#CCN(C(=O)NC[C@@H]1CCC2(CCOCC2)CO1)C1CC[NH+](C)CC1	ZINC000923999977	872727094	/nfs/dbraw/zinc/72/70/94/872727094.db2.gz	IUGCVYXRLGOIST-SFHVURJKSA-N	1	0	363.502	1.701	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]3(C)C2)C1	ZINC000992894800	873106051	/nfs/dbraw/zinc/10/60/51/873106051.db2.gz	GVQQIMKSSBDKEM-CNNODRBYSA-N	1	0	371.525	1.829	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C)C1	ZINC000992904786	873128771	/nfs/dbraw/zinc/12/87/71/873128771.db2.gz	ANZWKPTZNCLDAL-LQWHRVPQSA-N	1	0	357.498	1.580	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C(F)=C(C)C)CC1	ZINC001003362580	873215093	/nfs/dbraw/zinc/21/50/93/873215093.db2.gz	BLPWEFDNHOAKQP-ZACQAIPSSA-N	1	0	361.461	1.843	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@]2(C)C=CCC2)CC1	ZINC001003362595	873215815	/nfs/dbraw/zinc/21/58/15/873215815.db2.gz	BOXOZSIXFMQPIL-NXWNEQKCSA-N	1	0	369.509	1.936	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)COC2CCOCC2)[C@H](C)C1	ZINC001106190365	873247565	/nfs/dbraw/zinc/24/75/65/873247565.db2.gz	GVYSSDXQLBLBFD-KURKYZTESA-N	1	0	368.518	1.583	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC2)[C@H](C)C1)OCC	ZINC001106197215	873453689	/nfs/dbraw/zinc/45/36/89/873453689.db2.gz	MAZITYKMWJJXHB-BRWVUGGUSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC)[C@H](C)C1)OCC	ZINC001106197450	873459980	/nfs/dbraw/zinc/45/99/80/873459980.db2.gz	XNAKPIQXSPIQLK-BRWVUGGUSA-N	1	0	353.507	1.520	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)[C@H](C)C1)OCC	ZINC001106197338	873462961	/nfs/dbraw/zinc/46/29/61/873462961.db2.gz	QWQDDRIJFDZHPB-ZACQAIPSSA-N	1	0	367.534	1.957	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)C4(C)CCC4)C[C@@]3(C)C2)CC1	ZINC000993020438	873712188	/nfs/dbraw/zinc/71/21/88/873712188.db2.gz	QDCILAODECWAHN-PGRDOPGGSA-N	1	0	371.525	1.829	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(C)c3ncc(C#N)cc3F)C2)CC[N@@H+]1C	ZINC001061281325	873731256	/nfs/dbraw/zinc/73/12/56/873731256.db2.gz	VOAKSGFCOILXMO-FVQBIDKESA-N	1	0	359.449	1.860	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCC2CCOCC2)C[C@H]1C	ZINC001106213998	873822379	/nfs/dbraw/zinc/82/23/79/873822379.db2.gz	UDLWNYSKLOMNPW-SJLPKXTDSA-N	1	0	363.502	1.017	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](CC)C[NH+]2CCCC2)c1	ZINC000674346218	882773324	/nfs/dbraw/zinc/77/33/24/882773324.db2.gz	JWKWYENFOGHSSB-MRXNPFEDSA-N	1	0	365.499	1.755	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCC(F)(F)C2)C[C@H]1C	ZINC001106225785	873971050	/nfs/dbraw/zinc/97/10/50/873971050.db2.gz	HGLOFIFRZPKPBN-QLFBSQMISA-N	1	0	357.445	1.798	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc3c(o2)CCCC3)C[C@H]1C	ZINC001106233200	874041550	/nfs/dbraw/zinc/04/15/50/874041550.db2.gz	YNLNMFMESFQRSN-BFYDXBDKSA-N	1	0	371.481	1.594	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3cc(C)ncn3)[C@H](C)C2)CCOCC1	ZINC001106235213	874046663	/nfs/dbraw/zinc/04/66/63/874046663.db2.gz	MPQNBZBPNPMMTP-SJLPKXTDSA-N	1	0	370.497	1.789	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]C[C@@H]3CCc4ncnn43)[C@H](C)C2)CCC1	ZINC001106237051	874065251	/nfs/dbraw/zinc/06/52/51/874065251.db2.gz	CVKGJUMEECSNDH-ZACQAIPSSA-N	1	0	355.486	1.643	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+][C@@H]3CCN(CC=C)C3=O)[C@H](C)C2)CCC1	ZINC001106237881	874066722	/nfs/dbraw/zinc/06/67/22/874066722.db2.gz	WHLGHXNJFBQUPZ-KZNAEPCWSA-N	1	0	357.498	1.651	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCC2)[C@H](C)C1	ZINC001106252811	874142932	/nfs/dbraw/zinc/14/29/32/874142932.db2.gz	SXVSOWAQZUDCKX-IAGOWNOFSA-N	1	0	358.486	1.594	20	30		FDEDRO
C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(C#N)c[nH]2)CC1	ZINC001003744419	874147868	/nfs/dbraw/zinc/14/78/68/874147868.db2.gz	VJGLKZDAAHXNRX-INMHGKMJSA-N	1	0	355.442	1.090	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC2CC2)[C@H](C)C1	ZINC001106256042	874172787	/nfs/dbraw/zinc/17/27/87/874172787.db2.gz	VGWYJCYZJXWGHO-OWCLPIDISA-N	1	0	358.486	1.639	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC[NH+](CCc2ccnn2C)CC1	ZINC001003763474	874190860	/nfs/dbraw/zinc/19/08/60/874190860.db2.gz	MZNGBZYJBHAVNI-OALUTQOASA-N	1	0	360.502	1.915	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3cc[nH]c3n2)C[C@H]1C	ZINC001106282893	874420521	/nfs/dbraw/zinc/42/05/21/874420521.db2.gz	IRFYFVJLCNBTHW-UKRRQHHQSA-N	1	0	355.442	1.163	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cn3c(n2)C[C@H](OC)CC3)C[C@H]1C	ZINC001106307194	874662784	/nfs/dbraw/zinc/66/27/84/874662784.db2.gz	GJVRZGMIKLJQOZ-BPLDGKMQSA-N	1	0	366.893	1.895	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)c2ccncc2)C[C@H]1C	ZINC001106308891	874736801	/nfs/dbraw/zinc/73/68/01/874736801.db2.gz	GIEOEDFFQBGBNQ-LZLYRXPVSA-N	1	0	356.470	1.009	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccnc(N3CCCC3)n2)C[C@H]1C	ZINC001106340058	874836382	/nfs/dbraw/zinc/83/63/82/874836382.db2.gz	JUMMKTWBUGQVOJ-IAGOWNOFSA-N	1	0	371.485	1.024	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2cccnc2)C[C@H]1C	ZINC001106352366	874875148	/nfs/dbraw/zinc/87/51/48/874875148.db2.gz	OZNOIRDQVVZTND-HZPDHXFCSA-N	1	0	358.486	1.346	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001106356492	874890103	/nfs/dbraw/zinc/89/01/03/874890103.db2.gz	CUGUGTUDAZFEMH-IUODEOHRSA-N	1	0	364.396	1.124	20	30		FDEDRO
C[C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106366880	874923199	/nfs/dbraw/zinc/92/31/99/874923199.db2.gz	ZTWPGQOFBISJQO-UYAOXDASSA-N	1	0	367.493	1.735	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106370435	874956480	/nfs/dbraw/zinc/95/64/80/874956480.db2.gz	NIAFVQFOUREQGK-YLJYHZDGSA-N	1	0	363.461	1.735	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cnc3sccn3c2=O)C[C@H]1C	ZINC001106394229	875077744	/nfs/dbraw/zinc/07/77/44/875077744.db2.gz	OBTBWMZYCPSPLY-ZYHUDNBSSA-N	1	0	366.874	1.806	20	30		FDEDRO
COc1cc(C(=O)N2C[C@@H](C[NH2+]CC#Cc3ccccc3)[C@H](C)C2)nn1C	ZINC001106405195	875143995	/nfs/dbraw/zinc/14/39/95/875143995.db2.gz	NCIHUJXHAJBCCX-SJLPKXTDSA-N	1	0	366.465	1.778	20	30		FDEDRO
O=C(C#Cc1ccc2c(c1)OCO2)N1CCC[N@H+](C[C@@H]2CCCO2)CC1	ZINC000762130284	875247317	/nfs/dbraw/zinc/24/73/17/875247317.db2.gz	IUPOAQNCWVHCAD-KRWDZBQOSA-N	1	0	356.422	1.480	20	30		FDEDRO
Cc1cc(Cl)cc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)c1	ZINC001106429004	875257984	/nfs/dbraw/zinc/25/79/84/875257984.db2.gz	RPCPESSOWUFWLG-UKRRQHHQSA-N	1	0	362.861	1.586	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C(C)(C)COC)C[C@H]2C)C1=O	ZINC001106431007	875275682	/nfs/dbraw/zinc/27/56/82/875275682.db2.gz	LQEVWHYXAUURNF-BZUAXINKSA-N	1	0	351.491	1.130	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)C1	ZINC001005288029	882914939	/nfs/dbraw/zinc/91/49/39/882914939.db2.gz	RNPHKEGPUJMDLI-MANSERQUSA-N	1	0	357.498	1.770	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(OCC)no2)C[C@H]1C	ZINC001106436273	875287786	/nfs/dbraw/zinc/28/77/86/875287786.db2.gz	FRGYNQHWQGXHHT-HZSPNIEDSA-N	1	0	364.446	1.062	20	30		FDEDRO
C#CCn1ccc(CN(CC)S(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)n1	ZINC000915063322	875385902	/nfs/dbraw/zinc/38/59/02/875385902.db2.gz	XACUJRWNUJUQQL-KRWDZBQOSA-N	1	0	350.488	1.154	20	30		FDEDRO
NC(=[NH+]OC[C@@H]1CC2(CC2)C(=O)O1)c1ccc(N2CCC(O)CC2)cc1	ZINC000762209163	875476340	/nfs/dbraw/zinc/47/63/40/875476340.db2.gz	LIQOSOHCSMCQDE-INIZCTEOSA-N	1	0	359.426	1.380	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccoc2)C[C@H]1C	ZINC001106465376	875506237	/nfs/dbraw/zinc/50/62/37/875506237.db2.gz	KUVAICRTGSPQBP-UKRRQHHQSA-N	1	0	371.441	1.270	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC)[C@H](C)C1	ZINC001106482692	875623287	/nfs/dbraw/zinc/62/32/87/875623287.db2.gz	LKXCZVKANFBHCE-MDZRGWNJSA-N	1	0	353.507	1.378	20	30		FDEDRO
CCO[C@H](C(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1)C1CCOCC1	ZINC001106486347	875641366	/nfs/dbraw/zinc/64/13/66/875641366.db2.gz	PHCQKTWPTOAKCN-QRQLOZEOSA-N	1	0	366.502	1.152	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cncn3)nc2)C[C@H]1C	ZINC001106501733	875726505	/nfs/dbraw/zinc/72/65/05/875726505.db2.gz	BNITXRFWXOITIR-IUODEOHRSA-N	1	0	360.849	1.713	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3ccccc3nn2)C[C@H]1C	ZINC001106506605	875744379	/nfs/dbraw/zinc/74/43/79/875744379.db2.gz	ORJZLBMSXNTNHP-GDBMZVCRSA-N	1	0	367.453	1.230	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2c(F)ccc(F)c2OC)C[C@H]1C	ZINC001106513908	875784431	/nfs/dbraw/zinc/78/44/31/875784431.db2.gz	UUGBVWXYCAAZMM-ZIAGYGMSSA-N	1	0	366.408	1.921	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COCCOC)[C@H](C)C1	ZINC001106533561	875884995	/nfs/dbraw/zinc/88/49/95/875884995.db2.gz	AGXSWXJFOVFQFS-GUDVDZBRSA-N	1	0	368.518	1.278	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]C[C@@H](C)CS(C)(=O)=O)[C@H](C)C1	ZINC001106556431	875947231	/nfs/dbraw/zinc/94/72/31/875947231.db2.gz	PMZMJKZKVMEXDG-BRWVUGGUSA-N	1	0	356.532	1.545	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2nncs2)[C@H](C)C1	ZINC001106563699	875963061	/nfs/dbraw/zinc/96/30/61/875963061.db2.gz	IREIMJOXJRKTAD-BFHYXJOUSA-N	1	0	365.503	1.763	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NCCC)[C@H](C)C1	ZINC001106567894	875978092	/nfs/dbraw/zinc/97/80/92/875978092.db2.gz	WUKHEELYASAOHD-BZUAXINKSA-N	1	0	366.506	1.509	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H](NC(=O)c3cc[nH]c3C3CC3)[C@@H](O)C2)s1	ZINC001083732353	876023185	/nfs/dbraw/zinc/02/31/85/876023185.db2.gz	QRSWPMVSUAQKCD-CVEARBPZSA-N	1	0	356.451	1.800	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3cnn(C)c3C2)C[C@H]1C	ZINC001106584897	876043124	/nfs/dbraw/zinc/04/31/24/876043124.db2.gz	OKZFZIMUNZBMDL-IVMMDQJWSA-N	1	0	350.894	1.962	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(F)c(Cl)c2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106598239	876102454	/nfs/dbraw/zinc/10/24/54/876102454.db2.gz	XXLHPWHLSSBGGR-DGCLKSJQSA-N	1	0	366.824	1.417	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)[C@H](C)C1	ZINC001106611703	876194138	/nfs/dbraw/zinc/19/41/38/876194138.db2.gz	BBZSCIZREOXCAT-BRWVUGGUSA-N	1	0	371.547	1.308	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]C[C@@H](O)COCCOC)[C@H](C)C2)CCC1	ZINC001106636119	876318914	/nfs/dbraw/zinc/31/89/14/876318914.db2.gz	UJVDSYAQUOINBL-KZNAEPCWSA-N	1	0	368.518	1.441	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCCCOC)[C@H](C)C2)CCC1	ZINC001106635826	876319020	/nfs/dbraw/zinc/31/90/20/876319020.db2.gz	GDSMSOMYFJSUOJ-IAGOWNOFSA-N	1	0	365.518	1.570	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCc3cccnc3)[C@H](C)C2)C1	ZINC001106646953	876379187	/nfs/dbraw/zinc/37/91/87/876379187.db2.gz	DJEZFZLWFKZBTD-SJLPKXTDSA-N	1	0	370.497	1.738	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]CC(=O)NC[C@@H]3CCCO3)[C@H](C)C2)C1	ZINC001106647772	876383132	/nfs/dbraw/zinc/38/31/32/876383132.db2.gz	VNSWLJSRAUNDIR-ZACQAIPSSA-N	1	0	363.502	1.322	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]CCOC[C@H]3CCCO3)[C@H](C)C2)c1	ZINC001106650588	876389160	/nfs/dbraw/zinc/38/91/60/876389160.db2.gz	UOMDFVPZHZBPSD-NSISKUIASA-N	1	0	371.481	1.556	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C(N)=O)co2)C[C@H]1C	ZINC001106657391	876425815	/nfs/dbraw/zinc/42/58/15/876425815.db2.gz	BLFVQDXPJWQPNT-BXKDBHETSA-N	1	0	370.247	1.585	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3c(C)ncc3C2)C[C@H]1C	ZINC001106667145	876483187	/nfs/dbraw/zinc/48/31/87/876483187.db2.gz	KOKUVXWDAIRSPB-KBAYOESNSA-N	1	0	360.502	1.641	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ocnc2C(F)F)C[C@H]1C	ZINC001106672079	876510702	/nfs/dbraw/zinc/51/07/02/876510702.db2.gz	DACXNTCFAKKQPI-GRYCIOLGSA-N	1	0	368.384	1.048	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C)c(C(N)=O)cn2)C[C@H]1C	ZINC001106683422	876555183	/nfs/dbraw/zinc/55/51/83/876555183.db2.gz	PDTWYQPIKNBZOT-DGCLKSJQSA-N	1	0	350.850	1.539	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccnc2)C[C@H]1C	ZINC001106686288	876562113	/nfs/dbraw/zinc/56/21/13/876562113.db2.gz	ZVFCAGAVFKBTTB-NRSFXHEJSA-N	1	0	356.470	1.171	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1C	ZINC001106696419	876594994	/nfs/dbraw/zinc/59/49/94/876594994.db2.gz	XVYNESSKKSHSGX-NVXWUHKLSA-N	1	0	359.474	1.199	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3ccccc3C2)C[C@H]1C	ZINC001106699694	876608597	/nfs/dbraw/zinc/60/85/97/876608597.db2.gz	GNHJPEYKJDBFHJ-NSISKUIASA-N	1	0	367.493	1.225	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CCC(F)(F)CC2)C[C@H]1C	ZINC001106700131	876608837	/nfs/dbraw/zinc/60/88/37/876608837.db2.gz	KOFJJXIRBOWZTO-UKRRQHHQSA-N	1	0	355.429	1.245	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1C	ZINC001106704942	876880808	/nfs/dbraw/zinc/88/08/08/876880808.db2.gz	KGPIOZIKEQXQLR-HZPDHXFCSA-N	1	0	361.490	1.061	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@@H]2CCCO2)[C@H](C)C1	ZINC001106708737	876918060	/nfs/dbraw/zinc/91/80/60/876918060.db2.gz	IMAIRASQKUMBMR-ZACQAIPSSA-N	1	0	365.518	1.568	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C(C)C)C[C@H]1C	ZINC001106722395	876961551	/nfs/dbraw/zinc/96/15/51/876961551.db2.gz	XRLIGKONSQHBDQ-IXDOHACOSA-N	1	0	350.507	1.725	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCCN2Cc3ccccc3OCC2=O)CC1	ZINC000917137073	883109697	/nfs/dbraw/zinc/10/96/97/883109697.db2.gz	KPROLZUQGXSOCN-UHFFFAOYSA-N	1	0	372.469	1.357	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)CC1	ZINC000917137692	883111469	/nfs/dbraw/zinc/11/14/69/883111469.db2.gz	UYNMCGPMOARBTJ-RDTXWAMCSA-N	1	0	350.463	1.557	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c(C)noc2C)C[C@H]1C	ZINC001106738988	877341975	/nfs/dbraw/zinc/34/19/75/877341975.db2.gz	NYKYXUSLAHMOBZ-IIDMSEBBSA-N	1	0	361.486	1.804	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc([C@H](C)CC)no2)C[C@H]1C	ZINC001106742161	877417957	/nfs/dbraw/zinc/41/79/57/877417957.db2.gz	XUESXYJYZBLOQY-RBSFLKMASA-N	1	0	360.458	1.235	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC2)[C@H](C)C1	ZINC001106748511	877463463	/nfs/dbraw/zinc/46/34/63/877463463.db2.gz	AZCHXFVBLVFCNN-VXNCWWDNSA-N	1	0	363.502	1.274	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCc2ccn(-c3ccccc3)n2)CC1	ZINC000915823242	877624967	/nfs/dbraw/zinc/62/49/67/877624967.db2.gz	XHNQCCYQYXSLGX-UHFFFAOYSA-N	1	0	351.454	1.812	20	30		FDEDRO
C=CCc1cc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)cc(OC)c1OC	ZINC000673515043	877757361	/nfs/dbraw/zinc/75/73/61/877757361.db2.gz	ASJKVQNIRIJNSQ-IAGOWNOFSA-N	1	0	360.454	1.713	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@]24C[C@H]2CCC4)C3)CC1	ZINC000999208454	912297074	/nfs/dbraw/zinc/29/70/74/912297074.db2.gz	OZIYLBNXGYJTDI-ZBHHGKBUSA-N	1	0	369.509	1.770	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)Cn2c(C)cc(C)nc2=O)C[C@H]1C	ZINC001106804009	878057777	/nfs/dbraw/zinc/05/77/77/878057777.db2.gz	AJDUQRJWCQCBFH-IAQYHMDHSA-N	1	0	352.866	1.297	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2OC)CC1	ZINC000946580381	878371378	/nfs/dbraw/zinc/37/13/78/878371378.db2.gz	VEZYRBLBILAQLE-FGTMMUONSA-N	1	0	363.502	1.559	20	30		FDEDRO
CSC1(CNC(=O)N2C[C@@H](C)N(CC#N)[C@H](C)C2)CC[NH+](C)CC1	ZINC000922529972	878459164	/nfs/dbraw/zinc/45/91/64/878459164.db2.gz	ADHDODFBVABUTL-HUUCEWRRSA-N	1	0	353.536	1.442	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]2OC)CC1	ZINC000946585431	878674636	/nfs/dbraw/zinc/67/46/36/878674636.db2.gz	ZCYKGUANGQFQTJ-IXDOHACOSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CCN(Cc2snnc2C)C1	ZINC001033087680	878854005	/nfs/dbraw/zinc/85/40/05/878854005.db2.gz	YFDWATDSRXJGLS-KFWWJZLASA-N	1	0	350.488	1.860	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)C1	ZINC001033092104	878873313	/nfs/dbraw/zinc/87/33/13/878873313.db2.gz	OVCGVTXSXHCEAI-ZTFGCOKTSA-N	1	0	354.454	1.506	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2c2ncc(C#N)cc2F)CC[N@@H+]1C	ZINC001061466029	878900166	/nfs/dbraw/zinc/90/01/66/878900166.db2.gz	AUZVROOBZLOHKQ-HLLBOEOZSA-N	1	0	359.449	1.908	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCc2cncc(C#N)c2)CC1=O	ZINC000922663252	878937652	/nfs/dbraw/zinc/93/76/52/878937652.db2.gz	FPGHQALYTQQLTF-IAGOWNOFSA-N	1	0	356.426	1.329	20	30		FDEDRO
C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCO[C@H]3c3ccncc3)CC[C@@H]2C1	ZINC000946595231	879084124	/nfs/dbraw/zinc/08/41/24/879084124.db2.gz	OFHKGMUYGWJQKO-WCIQWLHISA-N	1	0	353.466	1.963	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(-n3ccnc3)c2)C[C@H]1C	ZINC001106828909	879235551	/nfs/dbraw/zinc/23/55/51/879235551.db2.gz	RQXUUIJOTXRZQS-IEBWSBKVSA-N	1	0	366.465	1.820	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@@H]21	ZINC001083168988	912435758	/nfs/dbraw/zinc/43/57/58/912435758.db2.gz	XJRCBPSQSWWNDT-SLFFLAALSA-N	1	0	368.481	1.454	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)c2ccccc2C[NH+](C)C)C1	ZINC000993872844	879929223	/nfs/dbraw/zinc/92/92/23/879929223.db2.gz	IPRRVWHGAKWHPP-MSOLQXFVSA-N	1	0	357.454	1.280	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CCc3ccccc3CC)C[C@@H]2O)nn1	ZINC001083843570	879962031	/nfs/dbraw/zinc/96/20/31/879962031.db2.gz	NYQXCOCPPHOTBP-MJGOQNOKSA-N	1	0	369.469	1.044	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC000993913279	880128043	/nfs/dbraw/zinc/12/80/43/880128043.db2.gz	HZTCMAMMALADPB-QGPMSJSTSA-N	1	0	371.485	1.585	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC000993914152	880130954	/nfs/dbraw/zinc/13/09/54/880130954.db2.gz	YJIJKKDCTNIDEK-QHSBEEBCSA-N	1	0	366.425	1.237	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCN(CC(F)F)C3)[C@H]2C1	ZINC001083176992	912548930	/nfs/dbraw/zinc/54/89/30/912548930.db2.gz	BHRRLUTVJNWZGU-OWCLPIDISA-N	1	0	357.445	1.451	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)[C@H](C)C2)cc1	ZINC000994040464	880503568	/nfs/dbraw/zinc/50/35/68/880503568.db2.gz	VCHJFMAHOGLQJD-AYOQOUSVSA-N	1	0	353.466	1.444	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](CNC(=O)[C@H]3C[NH+]4CCC3CC4)[C@H](C)C2)C1	ZINC000994051110	880548708	/nfs/dbraw/zinc/54/87/08/880548708.db2.gz	JEKYSDNSTXRMHD-NXHRZFHOSA-N	1	0	359.514	1.895	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)c3cc(C)co3)C[C@H]2C)CC1	ZINC000994137702	880900159	/nfs/dbraw/zinc/90/01/59/880900159.db2.gz	VNFKFWCDFRLEMQ-SJLPKXTDSA-N	1	0	371.481	1.758	20	30		FDEDRO
C=CCn1c(C)nn(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1=S	ZINC000763329970	881111171	/nfs/dbraw/zinc/11/11/71/881111171.db2.gz	APRYFVLHNJRWCJ-RDJZCZTQSA-N	1	0	364.563	1.824	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](CCCC3CCCC3)C[C@@H]2O)nn1	ZINC001083846496	881178787	/nfs/dbraw/zinc/17/87/87/881178787.db2.gz	BJQIUMSFZILAKB-AEFFLSMTSA-N	1	0	361.490	1.600	20	30		FDEDRO
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C=NNCC[NH+]1CCCCC1	ZINC000915974391	881264215	/nfs/dbraw/zinc/26/42/15/881264215.db2.gz	SBOMDQHINLZKJX-MRXNPFEDSA-N	1	0	367.519	1.269	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCOC[C@@H]2[C@@H]2CC[C@@H](COC)O2)CC1	ZINC000917141930	883130194	/nfs/dbraw/zinc/13/01/94/883130194.db2.gz	LDZGYMLPCMCOHK-KSZLIROESA-N	1	0	367.490	1.241	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)NCCN(C)CCC[NH+](C)C	ZINC000917237077	883257289	/nfs/dbraw/zinc/25/72/89/883257289.db2.gz	LLETZGZVAWVLEO-UHFFFAOYSA-N	1	0	366.531	1.478	20	30		FDEDRO
CNC(=O)CN(Cc1ccccc1)C[C@H](O)COc1ccc(C#N)cc1	ZINC000917366048	883355963	/nfs/dbraw/zinc/35/59/63/883355963.db2.gz	BOFDGISYLUXJIV-SFHVURJKSA-N	1	0	353.422	1.546	20	30		FDEDRO
Cc1cc(S(=O)(=O)N2CCC(CO)([NH2+]C(C)C)CC2)ccc1C#N	ZINC000917545305	883515711	/nfs/dbraw/zinc/51/57/11/883515711.db2.gz	RKWCLCGRXMMBEG-UHFFFAOYSA-N	1	0	351.472	1.380	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(N(C)C)c2)C[C@@H]1n1ccnn1	ZINC001128807375	883692260	/nfs/dbraw/zinc/69/22/60/883692260.db2.gz	REDRSXUGDBCYCC-MOPGFXCFSA-N	1	0	368.485	1.852	20	30		FDEDRO
N#CCNC(=O)C[NH2+][C@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1	ZINC000429240293	883749832	/nfs/dbraw/zinc/74/98/32/883749832.db2.gz	SSWGHHPJAPZQQQ-APWZRJJASA-N	1	0	369.396	1.806	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2cn(C)cn2)[C@@H](n2ccnn2)C1	ZINC001128891747	883969280	/nfs/dbraw/zinc/96/92/80/883969280.db2.gz	OJUKIZIWEVJQRM-WBVHZDCISA-N	1	0	357.462	1.413	20	30		FDEDRO
C[C@H](CNc1ccnc(C#N)n1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1	ZINC001108124045	884087956	/nfs/dbraw/zinc/08/79/56/884087956.db2.gz	XNFFEKGUKXPRFM-OIISXLGYSA-N	1	0	364.453	1.032	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001128938989	884191341	/nfs/dbraw/zinc/19/13/41/884191341.db2.gz	FOGUXRFQZAKROB-CEXWTWQISA-N	1	0	367.453	1.157	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)cc1	ZINC001034398952	884296504	/nfs/dbraw/zinc/29/65/04/884296504.db2.gz	REFJPLXOIDZUPQ-FGTMMUONSA-N	1	0	370.453	1.062	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]2C)c1	ZINC000994568871	884359794	/nfs/dbraw/zinc/35/97/94/884359794.db2.gz	IIAZTQDODWBEKW-FRQCXROJSA-N	1	0	368.481	1.229	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](C[C@H](OC)C2CCC2)C[C@@H]1O	ZINC001083999457	912821017	/nfs/dbraw/zinc/82/10/17/912821017.db2.gz	QSWCJMGRUSQSMB-AABGKKOBSA-N	1	0	356.466	1.187	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001128961365	884484725	/nfs/dbraw/zinc/48/47/25/884484725.db2.gz	FFGAQNIIIWOBNV-AOIWGVFYSA-N	1	0	355.442	1.147	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)C2CC3(CC3)C2)[C@H](C)C1	ZINC000994575100	884568804	/nfs/dbraw/zinc/56/88/04/884568804.db2.gz	MNANXIAFVMBASQ-NXHRZFHOSA-N	1	0	357.498	1.485	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]C[C@H](C)OC)C2)nn1	ZINC001112542961	884591753	/nfs/dbraw/zinc/59/17/53/884591753.db2.gz	BREJEYGMAVOVLL-BXWFABGCSA-N	1	0	361.490	1.721	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cccc(C#N)c3)CC2)O1	ZINC001034674898	884692548	/nfs/dbraw/zinc/69/25/48/884692548.db2.gz	LPHRTIUFTSJAEC-HUYLIWGRSA-N	1	0	370.497	1.794	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]CCCCOC)[C@H](C)C1	ZINC001106891940	884816670	/nfs/dbraw/zinc/81/66/70/884816670.db2.gz	NBDYAXBIDLAZJD-IAGOWNOFSA-N	1	0	359.470	1.818	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2ccc(C)cc2)C[C@H]1C	ZINC001106891942	884817508	/nfs/dbraw/zinc/81/75/08/884817508.db2.gz	NLBLJNMENKBLDL-QZTJIDSGSA-N	1	0	369.509	1.706	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1	ZINC000918756105	884913290	/nfs/dbraw/zinc/91/32/90/884913290.db2.gz	DPFHPKJQTFLGDM-JKSUJKDBSA-N	1	0	369.387	1.963	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)N2CCCC2)CC1	ZINC001034754493	884958684	/nfs/dbraw/zinc/95/86/84/884958684.db2.gz	NGXRPZGPOPCMNC-DWRORGKVSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccn(C(F)F)n2)[C@@H](n2ccnn2)C1	ZINC001129009895	885057553	/nfs/dbraw/zinc/05/75/53/885057553.db2.gz	VFQADIHRWKVNNQ-KGLIPLIRSA-N	1	0	365.388	1.491	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1CN(Cc2cccnc2)C[C@@H]1n1ccnn1	ZINC001129014385	885122886	/nfs/dbraw/zinc/12/28/86/885122886.db2.gz	IBSZGWYMDCLMMG-MOPGFXCFSA-N	1	0	366.469	1.983	20	30		FDEDRO
C#CCC1(NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CCCCC1	ZINC000919060908	885260796	/nfs/dbraw/zinc/26/07/96/885260796.db2.gz	PSKODLQMTBHAQO-GOSISDBHSA-N	1	0	362.518	1.418	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCc3ccc(CC)cc3)C[C@@H]2O)nc1	ZINC001083969454	912917081	/nfs/dbraw/zinc/91/70/81/912917081.db2.gz	CQQKOIDGGGCEHH-RTWAWAEBSA-N	1	0	363.461	1.643	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1snnc1C	ZINC001034941025	885394137	/nfs/dbraw/zinc/39/41/37/885394137.db2.gz	CRNSLQLDOFRUNF-KFWWJZLASA-N	1	0	350.488	1.908	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCCCOC)C[C@@H]2n2ccnn2)CCC1	ZINC001129048400	885529777	/nfs/dbraw/zinc/52/97/77/885529777.db2.gz	BFGANNGXJDVYOM-SJORKVTESA-N	1	0	359.474	1.240	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1	ZINC001129054570	885586822	/nfs/dbraw/zinc/58/68/22/885586822.db2.gz	JBMRHSGFQRYGEU-XHSDSOJGSA-N	1	0	366.897	1.247	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC(C)(C)C1	ZINC001089490459	885609368	/nfs/dbraw/zinc/60/93/68/885609368.db2.gz	BIVSXFINOGDOQD-BBWFWOEESA-N	1	0	363.502	1.252	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)CCc2cncc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129098389	885729517	/nfs/dbraw/zinc/72/95/17/885729517.db2.gz	LMRGKROXIIDNSH-MOPGFXCFSA-N	1	0	368.485	1.922	20	30		FDEDRO
NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC2(CC[N@H+](CC#Cc3ccccc3)C2)CC1	ZINC001035228296	885776884	/nfs/dbraw/zinc/77/68/84/885776884.db2.gz	HLDMIZBPMAXLSC-MOPGFXCFSA-N	1	0	365.477	1.474	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC[N@@H+]([C@H]3CCCNC3=O)C2)CC1	ZINC001035230592	885817434	/nfs/dbraw/zinc/81/74/34/885817434.db2.gz	NTQGUOKXSGIOEQ-IKGGRYGDSA-N	1	0	361.486	1.171	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC[N@@H+]([C@H]3CCN(C)C3=O)C2)CC1	ZINC001035230551	885818269	/nfs/dbraw/zinc/81/82/69/885818269.db2.gz	LPVAOKANYYVZHU-IKGGRYGDSA-N	1	0	361.486	1.123	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@@H]1n1ccnn1	ZINC001129147722	885876810	/nfs/dbraw/zinc/87/68/10/885876810.db2.gz	NCQHAFQFVCUCIE-BBWFWOEESA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2csc(=O)[nH]2)[C@@H](n2ccnn2)C1	ZINC001129179262	885991439	/nfs/dbraw/zinc/99/14/39/885991439.db2.gz	BFLYQQNHUBPSBY-BZPMIXESSA-N	1	0	362.459	1.450	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1n1ccnn1	ZINC001129209474	886565947	/nfs/dbraw/zinc/56/59/47/886565947.db2.gz	GHSFBJVMVGXQRZ-CVEARBPZSA-N	1	0	360.487	1.675	20	30		FDEDRO
C#CCN1C[C@@H](NC(=O)CCCc2ccc(C)cc2)[C@@H](n2ccnn2)C1	ZINC001129214781	886585294	/nfs/dbraw/zinc/58/52/94/886585294.db2.gz	LZPOLAUTLBVPAV-MOPGFXCFSA-N	1	0	351.454	1.584	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cccnc2OC)[C@@H](n2ccnn2)C1	ZINC001129220222	886609004	/nfs/dbraw/zinc/60/90/04/886609004.db2.gz	RYIVMULMOZNIAO-CVEARBPZSA-N	1	0	356.430	1.303	20	30		FDEDRO
C=CCOCC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001060740801	886664936	/nfs/dbraw/zinc/66/49/36/886664936.db2.gz	VEIBGEQUPDOSLM-QBPKDAKJSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2n[nH]cc2F)[C@@H](n2ccnn2)C1	ZINC001129228099	886700630	/nfs/dbraw/zinc/70/06/30/886700630.db2.gz	CDXKLPXKVOWZPY-CABCVRRESA-N	1	0	361.425	1.542	20	30		FDEDRO
C=CCCC1(C(=O)N[C@@H]2C[N@@H+](CCCCOC)C[C@@H]2n2ccnn2)CC1	ZINC001129239714	886751689	/nfs/dbraw/zinc/75/16/89/886751689.db2.gz	WZZHAARXQKWIFR-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ccsc1C#N)C2	ZINC000920272945	886792302	/nfs/dbraw/zinc/79/23/02/886792302.db2.gz	ADAIJKXSIDDHNX-BHTHQVBYSA-N	1	0	369.512	1.378	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CC[N@@H+](C)[C@@H]2CCCNC2=O)CC1	ZINC001036603213	886903828	/nfs/dbraw/zinc/90/38/28/886903828.db2.gz	DGZZSXHGVQLTSA-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCC1(NC(=O)N[C@@H]2CC[N@@H+](CCCOCC)C[C@H]2C)CCOCC1	ZINC000888293918	886989013	/nfs/dbraw/zinc/98/90/13/886989013.db2.gz	KNZQGWKGCRXNDE-QZTJIDSGSA-N	1	0	365.518	1.995	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)c2C)C[C@H]1OC	ZINC001212262388	888159466	/nfs/dbraw/zinc/15/94/66/888159466.db2.gz	MYKMBSHAYRHPGD-IEBWSBKVSA-N	1	0	360.454	1.359	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2OC(C)C)C[C@H]1C	ZINC001106903841	888347001	/nfs/dbraw/zinc/34/70/01/888347001.db2.gz	MJYOEJTURVDSEQ-IAGOWNOFSA-N	1	0	371.481	1.521	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000938350400	888439357	/nfs/dbraw/zinc/43/93/57/888439357.db2.gz	VWXZTYHUMZLXJZ-UAGQMJEPSA-N	1	0	354.410	1.256	20	30		FDEDRO
C[N@H+](CC(=O)[O-])[C@@H]1CCCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000923240001	888554518	/nfs/dbraw/zinc/55/45/18/888554518.db2.gz	HJWLVIROAJTDIC-IAGOWNOFSA-N	1	0	361.442	1.169	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC(=O)c2ccc(Br)cn2)CC1	ZINC000923248626	888584593	/nfs/dbraw/zinc/58/45/93/888584593.db2.gz	YHZWFMPMPVBOQG-UHFFFAOYSA-N	1	0	364.243	1.488	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)C1	ZINC000923261382	888620219	/nfs/dbraw/zinc/62/02/19/888620219.db2.gz	IPKRYLIPEPGUKE-QMTMVMCOSA-N	1	0	362.474	1.832	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)CN2CCO[C@H]([C@@H](C)[NH3+])C2)c(OC)c1	ZINC000923297396	888796638	/nfs/dbraw/zinc/79/66/38/888796638.db2.gz	OSATUSBPZAGTOH-OGWOLHLISA-N	1	0	350.459	1.211	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@H]2C)CC1	ZINC000946889859	888910782	/nfs/dbraw/zinc/91/07/82/888910782.db2.gz	QUUJXBMOMDZIFG-AYBZRNKSSA-N	1	0	363.502	1.559	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC000938605787	888940613	/nfs/dbraw/zinc/94/06/13/888940613.db2.gz	FFIBXDWYKFVLJQ-ZTFGCOKTSA-N	1	0	354.454	1.076	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](N(C)C(=O)C[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000938669454	889072293	/nfs/dbraw/zinc/07/22/93/889072293.db2.gz	LBBQPDCGGXBAGE-ZCNNSNEGSA-N	1	0	371.525	1.827	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CN([C@H]3CCc4ccc(F)cc43)C[C@@H]2O)c1	ZINC001083765843	889189674	/nfs/dbraw/zinc/18/96/74/889189674.db2.gz	XWGWTKRFSJFXSY-AABGKKOBSA-N	1	0	365.408	1.664	20	30		FDEDRO
COc1cccc([C@H]2C[NH2+]CCN2C[C@@H](O)COc2ccccc2C#N)c1	ZINC000923424413	889202979	/nfs/dbraw/zinc/20/29/79/889202979.db2.gz	XGJCOFNNWNGGSE-UYAOXDASSA-N	1	0	367.449	1.953	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2cnc(N(C)C)cn2)[C@H](OC)C1	ZINC001212278976	889213208	/nfs/dbraw/zinc/21/32/08/889213208.db2.gz	AYONLMQIMPONBF-IAGOWNOFSA-N	1	0	363.506	1.942	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H]1C	ZINC001106908000	889216191	/nfs/dbraw/zinc/21/61/91/889216191.db2.gz	LPAKNWBGNWUZGQ-MGPQQGTHSA-N	1	0	352.479	1.117	20	30		FDEDRO
CO[C@H]1CCC[N@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000245850796	889285612	/nfs/dbraw/zinc/28/56/12/889285612.db2.gz	MIHLRFMSCMDHEF-RBUKOAKNSA-N	1	0	374.460	1.645	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1	ZINC000938831640	889380885	/nfs/dbraw/zinc/38/08/85/889380885.db2.gz	KACFUNUNHFDQRD-BQFCYCMXSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1	ZINC000938863098	889443964	/nfs/dbraw/zinc/44/39/64/889443964.db2.gz	PWVRLPWDOUHIHH-OTWHNJEPSA-N	1	0	371.481	1.670	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CC[NH+]([C@@H]2CCCNC2=O)CC1	ZINC001006109472	889464318	/nfs/dbraw/zinc/46/43/18/889464318.db2.gz	TXRYZMYIGXRSJF-KSZLIROESA-N	1	0	363.502	1.559	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cn1	ZINC000938968590	889721604	/nfs/dbraw/zinc/72/16/04/889721604.db2.gz	KRQVSTFFWUHAKB-GBESFXJTSA-N	1	0	368.481	1.466	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC1CCCCC1	ZINC001127608770	889725563	/nfs/dbraw/zinc/72/55/63/889725563.db2.gz	GIBSUXQQRCWKDF-SJORKVTESA-N	1	0	351.491	1.370	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@H]1CCCN(c2ccccc2)C1=O	ZINC001127608780	889727344	/nfs/dbraw/zinc/72/73/44/889727344.db2.gz	GUNNODHXUHRBJW-QYZOEREBSA-N	1	0	371.481	1.869	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@@H]1O	ZINC001084091909	913384226	/nfs/dbraw/zinc/38/42/26/913384226.db2.gz	VXTRPTCNNCGWFG-QRVBRYPASA-N	1	0	356.470	1.094	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)C2CCN(Cc3csc(C)n3)CC2)C1	ZINC000923580118	889958075	/nfs/dbraw/zinc/95/80/75/889958075.db2.gz	YKSOIJHZSIHPOJ-QGZVFWFLSA-N	1	0	360.527	1.877	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)C1	ZINC000923584724	890011983	/nfs/dbraw/zinc/01/19/83/890011983.db2.gz	WVADRCNEKQIZCO-WBVHZDCISA-N	1	0	359.495	1.495	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC001006173960	890025049	/nfs/dbraw/zinc/02/50/49/890025049.db2.gz	FBMKOGSPFSKDLV-ISTRZQFTSA-N	1	0	357.458	1.193	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(OC)cc2)C[C@H]1C	ZINC001106912571	890068129	/nfs/dbraw/zinc/06/81/29/890068129.db2.gz	IXHNNCYULKKAMJ-HLLBOEOZSA-N	1	0	357.454	1.131	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](CCC)C(C)C)[C@@H](n2ccnn2)C1	ZINC001129292772	890120485	/nfs/dbraw/zinc/12/04/85/890120485.db2.gz	ALPMTILCLAXZKO-KSZLIROESA-N	1	0	363.506	1.895	20	30		FDEDRO
CC#CCN1C[C@@H](NC(=O)[C@@H](CC)OC2CCCC2)[C@@H](n2ccnn2)C1	ZINC001129294248	890149184	/nfs/dbraw/zinc/14/91/84/890149184.db2.gz	PBAYJOVGLBYKQO-FGTMMUONSA-N	1	0	359.474	1.381	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(NC(=O)C[N@H+]2CCC[C@H]2C)CCC1	ZINC001063205320	890296840	/nfs/dbraw/zinc/29/68/40/890296840.db2.gz	JEFHYTLLGHNLEE-RYRKJORJSA-N	1	0	363.502	1.607	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCCN(c3nc(C)cc(C#N)n3)C2)CC[N@@H+]1C	ZINC001063240673	890375081	/nfs/dbraw/zinc/37/50/81/890375081.db2.gz	BBNDXHGLRKFTJI-RYQLBKOJSA-N	1	0	370.501	1.862	20	30		FDEDRO
C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1	ZINC000077840266	890400987	/nfs/dbraw/zinc/40/09/87/890400987.db2.gz	MRZDSDVGKJPWHB-IBGZPJMESA-N	1	0	365.433	1.064	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1CN(C[C@H](C)CS(C)(=O)=O)C[C@H]1OC	ZINC001212340860	890456132	/nfs/dbraw/zinc/45/61/32/890456132.db2.gz	RSAMKAJFGPMWCQ-RRFJBIMHSA-N	1	0	360.520	1.085	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)N2CCCCC2)C[C@H]1OC	ZINC001212341235	890463153	/nfs/dbraw/zinc/46/31/53/890463153.db2.gz	XMNSAEXYPGTMBS-GVDBMIGSSA-N	1	0	365.518	1.805	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)nc1	ZINC000939330209	890498946	/nfs/dbraw/zinc/49/89/46/890498946.db2.gz	OVPUIYLKUVBWMX-WXSAJPJJSA-N	1	0	368.481	1.370	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)NCC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCC1	ZINC001063428543	890539852	/nfs/dbraw/zinc/53/98/52/890539852.db2.gz	RLVPDEFXMXDXQT-HRCADAONSA-N	1	0	351.491	1.463	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]c3ccccc23)C[C@H]1C	ZINC001106914350	890605158	/nfs/dbraw/zinc/60/51/58/890605158.db2.gz	HXQBQNCWNDAUQT-NVXWUHKLSA-N	1	0	366.465	1.144	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C)C1	ZINC000939985375	891606014	/nfs/dbraw/zinc/60/60/14/891606014.db2.gz	PQKJWFFLONSLCK-NVXWUHKLSA-N	1	0	363.502	1.417	20	30		FDEDRO
N#CCOc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)cc1	ZINC001031865304	891622681	/nfs/dbraw/zinc/62/26/81/891622681.db2.gz	MZLXAXVMCBWAMI-UXHICEINSA-N	1	0	369.465	1.952	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2C)c1	ZINC000940011821	891629994	/nfs/dbraw/zinc/62/99/94/891629994.db2.gz	DJARVBVXKDUYKW-OLMNPRSZSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1	ZINC001001934160	891686231	/nfs/dbraw/zinc/68/62/31/891686231.db2.gz	NQMUBCDBSRCEHT-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2	ZINC001061037185	891689538	/nfs/dbraw/zinc/68/95/38/891689538.db2.gz	OOJMHQICRQMANU-BRWVUGGUSA-N	1	0	363.502	1.369	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(OC)c2OC)C[C@H]1C	ZINC001106916139	891763499	/nfs/dbraw/zinc/76/34/99/891763499.db2.gz	BDXPEGXCBZQHLD-HZPDHXFCSA-N	1	0	360.454	1.651	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)nc1	ZINC000940288238	892160904	/nfs/dbraw/zinc/16/09/04/892160904.db2.gz	QAVIHXCICXBOLL-IIDMSEBBSA-N	1	0	354.454	1.124	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc(N(C)C)c2)C[C@H]1C	ZINC001106917087	892176449	/nfs/dbraw/zinc/17/64/49/892176449.db2.gz	WAPAPMSJTLJGJR-SOLBZPMBSA-N	1	0	370.497	1.188	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc3ccccc3c2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106917932	892300026	/nfs/dbraw/zinc/30/00/26/892300026.db2.gz	UVVRNWJQMVGLOJ-DNVCBOLYSA-N	1	0	364.449	1.777	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)COCCCCCC)C[C@H]1C	ZINC001106919979	892505426	/nfs/dbraw/zinc/50/54/26/892505426.db2.gz	HQXPROGHDIUEIB-KZNAEPCWSA-N	1	0	367.534	1.958	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2occ3c2CCCC3)C[C@H]1C	ZINC001106919956	892505495	/nfs/dbraw/zinc/50/54/95/892505495.db2.gz	FZZYLFOCRKLCGS-GDBMZVCRSA-N	1	0	359.470	1.758	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCC2)[C@H](C)C1	ZINC001106920566	892547171	/nfs/dbraw/zinc/54/71/71/892547171.db2.gz	FFGVYDASWJTTHU-YLJYHZDGSA-N	1	0	367.493	1.517	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]CCNC(=O)C2CC2)[C@H](C)C1	ZINC001106922879	892597050	/nfs/dbraw/zinc/59/70/50/892597050.db2.gz	QXVQICKUYYBVLD-OXQOHEQNSA-N	1	0	367.493	1.421	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCCN2C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC001002396127	892789807	/nfs/dbraw/zinc/78/98/07/892789807.db2.gz	MRVSQLAEMVJDLH-VNQPRFMTSA-N	1	0	357.458	1.290	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCCN2C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC001002396126	892790423	/nfs/dbraw/zinc/79/04/23/892790423.db2.gz	MRVSQLAEMVJDLH-FVQBIDKESA-N	1	0	357.458	1.290	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cnn3c2C[C@H](C)CC3)C[C@H]1C	ZINC001106931199	892975135	/nfs/dbraw/zinc/97/51/35/892975135.db2.gz	SSZURMAFEFMPIM-BRWVUGGUSA-N	1	0	360.502	1.966	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+][C@@H]3CCN(C)C3=O)[C@H](C)C2)CCOCC1	ZINC001106933590	893041714	/nfs/dbraw/zinc/04/17/14/893041714.db2.gz	ZMCVNNCBGLRCKG-BRWVUGGUSA-N	1	0	363.502	1.274	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](c3ccccc3)[C@H](NC(C)=O)C2)CC1	ZINC000940840120	893325858	/nfs/dbraw/zinc/32/58/58/893325858.db2.gz	MOIHVFBPBWBYDV-VQTJNVASSA-N	1	0	353.466	1.462	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C(C)(C)C1	ZINC000940912218	893458599	/nfs/dbraw/zinc/45/85/99/893458599.db2.gz	NIUUTJWKPNVXJZ-SQNIBIBYSA-N	1	0	365.518	1.269	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CN(C(=O)CC[N@@H+](C)CC)C2)CC1	ZINC001061134914	893747520	/nfs/dbraw/zinc/74/75/20/893747520.db2.gz	BZEJSNIIAXXNSE-SJORKVTESA-N	1	0	363.502	1.370	20	30		FDEDRO
N#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(CO)cc4)C[C@H]32)[nH]1	ZINC001084288526	913818665	/nfs/dbraw/zinc/81/86/65/913818665.db2.gz	XGQUZIBGGLSVIJ-VQIMIIECSA-N	1	0	350.422	1.725	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C[C@H]21)n1cncn1	ZINC001084291892	913831386	/nfs/dbraw/zinc/83/13/86/913831386.db2.gz	NFAGLHVCVGWJOD-BMGDILEWSA-N	1	0	350.426	1.444	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)c2ccccc2)C[C@H]1C	ZINC001106950809	894017083	/nfs/dbraw/zinc/01/70/83/894017083.db2.gz	GLLWDVXDMZRHLU-ZHALLVOQSA-N	1	0	355.482	1.614	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1	ZINC000941219747	894350915	/nfs/dbraw/zinc/35/09/15/894350915.db2.gz	COTPSTQWDVIXPP-FGTMMUONSA-N	1	0	365.518	1.615	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)[C@H]1CCCC[C@H]1C(=O)OC	ZINC000922023327	894421164	/nfs/dbraw/zinc/42/11/64/894421164.db2.gz	GFNTVVUGVNHJBC-CVEARBPZSA-N	1	0	356.488	1.077	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(c3ccccc3)CC2)C[C@H]1C	ZINC001106953276	894459594	/nfs/dbraw/zinc/45/95/94/894459594.db2.gz	PNYHQXBQRRQDTI-KZNAEPCWSA-N	1	0	367.493	1.540	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc2c(cc1C)OCO2	ZINC000922021651	894464747	/nfs/dbraw/zinc/46/47/47/894464747.db2.gz	ASEUOQMPPQUBPX-UHFFFAOYSA-N	1	0	350.440	1.442	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cn(CCCC)nc1C	ZINC000922026229	894540167	/nfs/dbraw/zinc/54/01/67/894540167.db2.gz	RNQUMRPWYAVVTI-UHFFFAOYSA-N	1	0	352.504	1.710	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COc2ccc(C)cc2)C[C@H]1C	ZINC001106955840	894824873	/nfs/dbraw/zinc/82/48/73/894824873.db2.gz	LSKUNZPDVRQKPL-IAGOWNOFSA-N	1	0	359.470	1.360	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2ccc(OC)cc2)C[C@H]1C	ZINC001106957315	894988686	/nfs/dbraw/zinc/98/86/86/894988686.db2.gz	YRCACWSIDLRGBA-SJLPKXTDSA-N	1	0	371.481	1.061	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(C)c(C)c2)C[C@H]1C	ZINC001106958203	895046301	/nfs/dbraw/zinc/04/63/01/895046301.db2.gz	UPNVCYDWBXLVDT-WSTZPKSXSA-N	1	0	369.509	1.668	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3ccsc3)nn2)C1	ZINC000999996176	896541491	/nfs/dbraw/zinc/54/14/91/896541491.db2.gz	IIOWIOIRZCLCQB-YESZJQIVSA-N	1	0	355.467	1.640	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccc(=O)n(-c3ccccc3F)n2)CC1	ZINC000765828867	896577108	/nfs/dbraw/zinc/57/71/08/896577108.db2.gz	ROVZFHAIZVOPTO-UHFFFAOYSA-N	1	0	368.412	1.589	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CC[C@H](C(F)(F)F)O2)[C@H](OC)C1	ZINC001212426258	896743938	/nfs/dbraw/zinc/74/39/38/896743938.db2.gz	UTQONCABQHHQIW-GBJTYRQASA-N	1	0	362.392	1.715	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCNC(=O)c2ccsc2)[C@H](OC)C1	ZINC001212430253	896999592	/nfs/dbraw/zinc/99/95/92/896999592.db2.gz	GWSVFPVNFPQAHZ-HUUCEWRRSA-N	1	0	351.472	1.260	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCCC2=CCN(c3ccnc(C#N)n3)CC2)CC[N@@H+]1C	ZINC001089866383	897154495	/nfs/dbraw/zinc/15/44/95/897154495.db2.gz	IYKQEQCZMWXJGD-DLBZAZTESA-N	1	0	368.485	1.721	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2ccccc2F)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106972654	897238014	/nfs/dbraw/zinc/23/80/14/897238014.db2.gz	FREXZXFFBOCYET-GDBMZVCRSA-N	1	0	360.433	1.082	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3ccoc3)n[nH]2)C[C@H]1C	ZINC001106984540	897538213	/nfs/dbraw/zinc/53/82/13/897538213.db2.gz	SGCMWERTAXQKPQ-GDBMZVCRSA-N	1	0	356.426	1.617	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1O	ZINC001078027941	897656163	/nfs/dbraw/zinc/65/61/63/897656163.db2.gz	QJFOPQYRTNPEPQ-IAGOWNOFSA-N	1	0	357.454	1.305	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(Cc3ccccc3Cl)C[C@H]2O)nc1	ZINC001078029952	897663330	/nfs/dbraw/zinc/66/33/30/897663330.db2.gz	ACJOGVDTZAWUPH-QZTJIDSGSA-N	1	0	355.825	1.691	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC000995272288	897690807	/nfs/dbraw/zinc/69/08/07/897690807.db2.gz	KNZRNOSTHXOFSU-KURKYZTESA-N	1	0	356.470	1.430	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC000995276224	897770528	/nfs/dbraw/zinc/77/05/28/897770528.db2.gz	VXEDOEHKMZSZPF-QRVBRYPASA-N	1	0	368.481	1.267	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cncnc2CC)C[C@H]1C	ZINC001106989290	897776247	/nfs/dbraw/zinc/77/62/47/897776247.db2.gz	MSGRWVZLMKNBDM-QLFBSQMISA-N	1	0	359.474	1.027	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](CC2CC3(CCC3)C2)C[C@H]1O	ZINC001078082414	897909097	/nfs/dbraw/zinc/90/90/97/897909097.db2.gz	LGXWGHOZASMQNG-WOJBJXKFSA-N	1	0	352.478	1.952	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@H](OC)C2)C1	ZINC000943069280	898322332	/nfs/dbraw/zinc/32/23/32/898322332.db2.gz	NLIBCPKQBFVPEL-IAGOWNOFSA-N	1	0	368.437	1.646	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2N(C(=O)[C@H]2C[C@@H]2C)CC3)CC1	ZINC000995323584	898411960	/nfs/dbraw/zinc/41/19/60/898411960.db2.gz	METCNLNJFDYKAS-FAGZOMQFSA-N	1	0	371.525	1.875	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C/C=C/c3ccccc3)C[C@H]2O)CC1	ZINC001078228518	898434941	/nfs/dbraw/zinc/43/49/41/898434941.db2.gz	UEZQJLNSNDOLEV-WZIVPHRBSA-N	1	0	367.493	1.206	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccnn2C)C1	ZINC001078402325	898734111	/nfs/dbraw/zinc/73/41/11/898734111.db2.gz	LBSJTNOAHRKQEH-KSZLIROESA-N	1	0	362.474	1.108	20	30		FDEDRO
N#Cc1cccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CCCO2)c1	ZINC001078475049	898810416	/nfs/dbraw/zinc/81/04/16/898810416.db2.gz	CGJTWZGOWIBEPW-WTGUMLROSA-N	1	0	369.465	1.833	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccccn2)C1	ZINC001078485917	898842272	/nfs/dbraw/zinc/84/22/72/898842272.db2.gz	JZEYZUZQVRBJMR-FHWLQOOXSA-N	1	0	359.470	1.770	20	30		FDEDRO
COc1cccc(NC(=[NH2+])NCc2cnc(N3CCOCC3)c(F)c2)c1	ZINC000184874888	899046715	/nfs/dbraw/zinc/04/67/15/899046715.db2.gz	IHNXRMDFWDTDSE-UHFFFAOYSA-N	1	0	359.405	1.993	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1	ZINC000943706092	899258105	/nfs/dbraw/zinc/25/81/05/899258105.db2.gz	WHSBRBROWLPCQP-DZVNLGKHSA-N	1	0	363.502	1.463	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C[NH2+]CCN1CCCC1=O	ZINC001107015555	899545790	/nfs/dbraw/zinc/54/57/90/899545790.db2.gz	UNQDTRLXFJIRAP-UYAOXDASSA-N	1	0	367.493	1.735	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C	ZINC001107017015	899553341	/nfs/dbraw/zinc/55/33/41/899553341.db2.gz	LIPLGIJJWKMUCI-QWFCFKBJSA-N	1	0	367.493	1.803	20	30		FDEDRO
Cc1ccc2oc(C(=O)N3C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C3)cc2c1	ZINC001107033008	899775066	/nfs/dbraw/zinc/77/50/66/899775066.db2.gz	DPKKWIFHFQSDHK-GDBMZVCRSA-N	1	0	368.437	1.679	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)C2CC2)C[C@H]1C	ZINC001107042894	900061296	/nfs/dbraw/zinc/06/12/96/900061296.db2.gz	CVHZLLVDPLDPFC-LZLYRXPVSA-N	1	0	362.518	1.869	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@](C)(NC(C)=O)C(C)C)C[C@H]1C	ZINC001107056107	900185199	/nfs/dbraw/zinc/18/51/99/900185199.db2.gz	QJKNECLDEHGWBB-SZVBFZGTSA-N	1	0	353.507	1.424	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](OC)C1	ZINC000944396520	900213691	/nfs/dbraw/zinc/21/36/91/900213691.db2.gz	UUCGZVYDJCUBHT-JXXFODFXSA-N	1	0	365.518	1.805	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OCCO[C@@H]3c3ccccc3)[C@@H]2C1	ZINC001084423296	914424043	/nfs/dbraw/zinc/42/40/43/914424043.db2.gz	CRSACDCDVYHVAG-UAFMIMERSA-N	1	0	354.450	1.699	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC3(C2)CCN(C(=O)[C@@H](C)C#N)CC3)CC[N@@H+]1C	ZINC000944414390	900240440	/nfs/dbraw/zinc/24/04/40/900240440.db2.gz	GKGCSHNPYZBGDY-YESZJQIVSA-N	1	0	360.502	1.717	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](OC)c2ccc(F)cc2)C[C@H]1C	ZINC001107058354	900260033	/nfs/dbraw/zinc/26/00/33/900260033.db2.gz	FMWFJVCNBRITMS-SUMDDJOVSA-N	1	0	362.445	1.847	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]Cc2cn(CC3CC3)nn2)[C@H](C)C1	ZINC001107059208	900313942	/nfs/dbraw/zinc/31/39/42/900313942.db2.gz	XUMOFPNUJRZEHH-NVXWUHKLSA-N	1	0	361.490	1.465	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCCCC2)[C@H](C)C1	ZINC001107063641	900449359	/nfs/dbraw/zinc/44/93/59/900449359.db2.gz	WFDXVTLZKHTSGM-KZNAEPCWSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CCCS(=O)(=O)CC)[C@H](C)C1	ZINC001107065448	900455088	/nfs/dbraw/zinc/45/50/88/900455088.db2.gz	OUCYFOVQBUUIBC-HZPDHXFCSA-N	1	0	360.520	1.088	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(F)s2)C[C@H]1C	ZINC001107071530	900497188	/nfs/dbraw/zinc/49/71/88/900497188.db2.gz	MGYNFRXPDXYNRZ-FRRDWIJNSA-N	1	0	351.447	1.323	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)COC2CCC(C)CC2)C[C@H]1C	ZINC001107072284	900502973	/nfs/dbraw/zinc/50/29/73/900502973.db2.gz	LIVJBVYLWAWAHG-QGLXBCBXSA-N	1	0	350.503	1.916	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2c3ccccc3NC2=O)C[C@H]1C	ZINC001107072605	900507982	/nfs/dbraw/zinc/50/79/82/900507982.db2.gz	WDPOYTRXBBOLOP-JFIYKMOQSA-N	1	0	371.481	1.999	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(OCC(N)=O)c3)[C@@H]2C1	ZINC001084387493	914474931	/nfs/dbraw/zinc/47/49/31/914474931.db2.gz	LBXSUONIZPVPJV-SJLPKXTDSA-N	1	0	357.454	1.663	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccncc2)C3)CC1	ZINC000995622593	900767480	/nfs/dbraw/zinc/76/74/80/900767480.db2.gz	RSROIRVILBCMAO-QYZOEREBSA-N	1	0	366.465	1.289	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2-n2ccnn2)C[C@H]1C	ZINC001107090679	900773381	/nfs/dbraw/zinc/77/33/81/900773381.db2.gz	PNASUIZQDUVVCZ-IAGOWNOFSA-N	1	0	367.453	1.215	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2cncc(F)c2)C[C@H]1C	ZINC001107092003	900789404	/nfs/dbraw/zinc/78/94/04/900789404.db2.gz	FXNNOPIVVSDPTM-GDBMZVCRSA-N	1	0	362.449	1.140	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2ccc(C)s2)C[C@H]1C	ZINC001107093173	900847406	/nfs/dbraw/zinc/84/74/06/900847406.db2.gz	RVJJEROXOFIYLS-GDBMZVCRSA-N	1	0	361.511	1.423	20	30		FDEDRO
C#CCN(CC1=NC(=O)N[C@@H](c2ccccc2)C1C(=O)OCC)C1CC1	ZINC000763956306	900998161	/nfs/dbraw/zinc/99/81/61/900998161.db2.gz	ZGNCJHXCLJBMCU-SFHVURJKSA-N	1	0	353.422	1.955	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCc4cccnc43)C2)cc1	ZINC001077582839	901290471	/nfs/dbraw/zinc/29/04/71/901290471.db2.gz	VJASWRXEYDISRD-GUDVDZBRSA-N	1	0	362.433	1.345	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2nccnc2C#N)CC[N@@H+]1C	ZINC001064544292	901396442	/nfs/dbraw/zinc/39/64/42/901396442.db2.gz	PYWLZMIDEILSRO-LVQVYYBASA-N	1	0	354.458	1.258	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC3(C2)CCN(c2cnc(C#N)cn2)CC3)CC[N@@H+]1C	ZINC001064589399	901446450	/nfs/dbraw/zinc/44/64/50/901446450.db2.gz	GGTZBDHYSNRARN-NVXWUHKLSA-N	1	0	368.485	1.507	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@]3(CCN(c4ccncc4C#N)C3)C2)CC[N@@H+]1C	ZINC001064650296	901519389	/nfs/dbraw/zinc/51/93/89/901519389.db2.gz	TZSUGALNRFBUMW-MDYRTPRTSA-N	1	0	353.470	1.722	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)CCCN(C)C(=O)[C@@H]2C[C@H]2C2CC2)CC1	ZINC001067518252	901780778	/nfs/dbraw/zinc/78/07/78/901780778.db2.gz	SRKMTRPASILLRU-RBUKOAKNSA-N	1	0	359.514	1.685	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cncnc2C)C1	ZINC001079126881	901926840	/nfs/dbraw/zinc/92/68/40/901926840.db2.gz	DUCPUPDLFVWODP-WOJBJXKFSA-N	1	0	364.449	1.496	20	30		FDEDRO
CC(C)[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccc(C#N)[nH]2)C1	ZINC001079132516	901945342	/nfs/dbraw/zinc/94/53/42/901945342.db2.gz	RGTCXXQJMMXVCB-RTBURBONSA-N	1	0	352.438	1.982	20	30		FDEDRO
C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@H]1c1ccc(F)cc1	ZINC001079151238	901984229	/nfs/dbraw/zinc/98/42/29/901984229.db2.gz	HTMJBRXZAPKWCK-XVGQJIODSA-N	1	0	370.428	1.994	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)CC[C@H]1c1ccc(F)cc1	ZINC001079153602	901989802	/nfs/dbraw/zinc/98/98/02/901989802.db2.gz	PPBZXNZMBPQITR-RYQLBKOJSA-N	1	0	359.445	1.812	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(Cc2ccccc2)[C@@H]2CN(CC#N)C[C@H]2O)CC[N@@H+]1C	ZINC001079135861	902003496	/nfs/dbraw/zinc/00/34/96/902003496.db2.gz	RJNOHRQAXXLOCY-MTQWCTHYSA-N	1	0	370.497	1.314	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc[nH]c2=O)CC[C@H]1c1ccc(F)cc1	ZINC001079154400	902068614	/nfs/dbraw/zinc/06/86/14/902068614.db2.gz	AZECXWNCEBCUJC-DOTOQJQBSA-N	1	0	354.385	1.542	20	30		FDEDRO
C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)N(C)CCC#N	ZINC000901726755	902074527	/nfs/dbraw/zinc/07/45/27/902074527.db2.gz	ALXZQPVPIVOPKU-MNOVXSKESA-N	1	0	354.252	1.311	20	30		FDEDRO
C=CCCC(=O)NCCCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001079158393	902079365	/nfs/dbraw/zinc/07/93/65/902079365.db2.gz	GQCOGHJHTGCKNT-HZPDHXFCSA-N	1	0	366.462	1.049	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)CC[C@H]1c1ccc(F)cc1	ZINC001079160400	902083631	/nfs/dbraw/zinc/08/36/31/902083631.db2.gz	ROHZQEHWRBLRFD-OKZBNKHCSA-N	1	0	357.429	1.402	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCN2CCCC2=O)CC[C@H]1c1ccc(F)cc1	ZINC001079162621	902089972	/nfs/dbraw/zinc/08/99/72/902089972.db2.gz	SZVFFURJFUCYSB-RBUKOAKNSA-N	1	0	371.456	1.746	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nccn3ccnc23)C[C@H]1c1cccc(F)c1	ZINC001079199742	902099701	/nfs/dbraw/zinc/09/97/01/902099701.db2.gz	LCWZDBBRLIUXNL-DLBZAZTESA-N	1	0	363.396	1.699	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3nncn3c2)C[C@H]1c1cccc(F)c1	ZINC001079201878	902101705	/nfs/dbraw/zinc/10/17/05/902101705.db2.gz	GWCDMNFNYFDLSL-ZWKOTPCHSA-N	1	0	363.396	1.699	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]1c1cccc(F)c1	ZINC001079201860	902101919	/nfs/dbraw/zinc/10/19/19/902101919.db2.gz	GBTYZEZRUHAOKG-JKSUJKDBSA-N	1	0	366.458	1.166	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2OC)C[C@H]1c1cccc(F)c1	ZINC001079208479	902116159	/nfs/dbraw/zinc/11/61/59/902116159.db2.gz	TUOYZCLWZPHDRG-DLBZAZTESA-N	1	0	358.417	1.952	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1c1cccc(F)c1	ZINC001079182457	902124238	/nfs/dbraw/zinc/12/42/38/902124238.db2.gz	JSTAOHCHXLMERT-LSDHHAIUSA-N	1	0	364.812	1.149	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3nnnn3c2)C[C@H]1c1cccc(F)c1	ZINC001079191571	902148150	/nfs/dbraw/zinc/14/81/50/902148150.db2.gz	WYKBNQWFIPVZRR-DLBZAZTESA-N	1	0	366.400	1.647	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+][C@H]3CCNC3=O)C2)C1	ZINC001079197692	902163996	/nfs/dbraw/zinc/16/39/96/902163996.db2.gz	WHBJFIUIBCNIBO-OKZBNKHCSA-N	1	0	371.456	1.955	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3cc(C)ncn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079236881	902176977	/nfs/dbraw/zinc/17/69/77/902176977.db2.gz	AWCZAPVNKKTSEF-FUHWJXTLSA-N	1	0	356.470	1.914	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)CC3OCCCO3)[C@@H]3COC[C@@H]32)CC1	ZINC001079238003	902180557	/nfs/dbraw/zinc/18/05/57/902180557.db2.gz	BMNUVKIFYXYXRY-JKSUJKDBSA-N	1	0	350.459	1.265	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3ncccc3O)[C@@H]3COC[C@@H]32)CC1	ZINC001079238195	902182367	/nfs/dbraw/zinc/18/23/67/902182367.db2.gz	MPXWOYGLGMPUCB-JKSUJKDBSA-N	1	0	355.438	1.364	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3nn(C)cc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079241202	902191890	/nfs/dbraw/zinc/19/18/90/902191890.db2.gz	OXWUNOLWKSIDOZ-DLBZAZTESA-N	1	0	358.486	1.858	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cncnc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079224794	902230813	/nfs/dbraw/zinc/23/08/13/902230813.db2.gz	DHHOZUBKOAKOAW-ZWKOTPCHSA-N	1	0	354.454	1.361	20	30		FDEDRO
Cc1oncc1C[NH+]1CCC2(CN(C(=O)[C@H](C)C#N)[C@@H]3COC[C@@H]32)CC1	ZINC001079228681	902245169	/nfs/dbraw/zinc/24/51/69/902245169.db2.gz	VTJMYMREGNUAIL-XOKHGSTOSA-N	1	0	358.442	1.582	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3c(Cl)cnn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079242222	902248464	/nfs/dbraw/zinc/24/84/64/902248464.db2.gz	SPGFLDUFEMZQTC-DZGCQCFKSA-N	1	0	362.861	1.260	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)CCc3ccncn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079244757	902250070	/nfs/dbraw/zinc/25/00/70/902250070.db2.gz	CWOBKJRHEIPWRZ-RBUKOAKNSA-N	1	0	370.497	1.925	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)CCc3c[nH]cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079244956	902252118	/nfs/dbraw/zinc/25/21/18/902252118.db2.gz	OJBQFMJSDCGKDZ-ZWKOTPCHSA-N	1	0	358.486	1.858	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079245792	902255981	/nfs/dbraw/zinc/25/59/81/902255981.db2.gz	HUEOFJFBRMPZMN-VXIBKDFQSA-N	1	0	368.481	1.476	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc(C)cc(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079247987	902263111	/nfs/dbraw/zinc/26/31/11/902263111.db2.gz	AUXHJVUVALJHJF-PKOBYXMFSA-N	1	0	353.466	1.885	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3csc(=O)[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079255538	902283605	/nfs/dbraw/zinc/28/36/05/902283605.db2.gz	AZLFAANDTQWJEM-DZGCQCFKSA-N	1	0	361.467	1.425	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CN(C(=O)c3ccn(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079273659	902285179	/nfs/dbraw/zinc/28/51/79/902285179.db2.gz	KEYCVLAJAYDIPO-FUHWJXTLSA-N	1	0	358.486	1.939	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)Cn3ccnc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079273733	902293571	/nfs/dbraw/zinc/29/35/71/902293571.db2.gz	NVPAFPHONIUYDC-ZWKOTPCHSA-N	1	0	356.470	1.154	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@H](C)c3c(C)n[nH]c3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079267343	902316596	/nfs/dbraw/zinc/31/65/96/902316596.db2.gz	SJAHFRFOHMLSAM-FHLIZLRMSA-N	1	0	370.497	1.703	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cnn(CC)c3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079267980	902318123	/nfs/dbraw/zinc/31/81/23/902318123.db2.gz	FRZBZGRUNDQGSY-ZWKOTPCHSA-N	1	0	356.470	1.398	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cn(C(C)C)nn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079268118	902319203	/nfs/dbraw/zinc/31/92/03/902319203.db2.gz	NVPQVOMQSAZTBE-FUHWJXTLSA-N	1	0	371.485	1.435	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)Cc3cnn(CC)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269115	902323000	/nfs/dbraw/zinc/32/30/00/902323000.db2.gz	HDIUQKLQULVWEL-RBUKOAKNSA-N	1	0	370.497	1.408	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC3(CC[NH+](CCF)CC3)[C@H]3COC[C@H]32)nc1	ZINC001079270353	902330449	/nfs/dbraw/zinc/33/04/49/902330449.db2.gz	OCYILLDIBISMDI-FUHWJXTLSA-N	1	0	357.429	1.585	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)CCc3cncn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079272097	902334918	/nfs/dbraw/zinc/33/49/18/902334918.db2.gz	BPJSAPSHOMNYON-RBUKOAKNSA-N	1	0	370.497	1.315	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3sc(C)nc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079272383	902335977	/nfs/dbraw/zinc/33/59/77/902335977.db2.gz	LPVSWMODLNWWDH-JKSUJKDBSA-N	1	0	359.495	1.946	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)Cc3cccc(OC)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079272732	902337835	/nfs/dbraw/zinc/33/78/35/902337835.db2.gz	VNXIYBOSQIENSQ-VQTJNVASSA-N	1	0	368.477	1.810	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCN(C)C2=O)C[C@H]1c1ccccc1F	ZINC001079299225	902342280	/nfs/dbraw/zinc/34/22/80/902342280.db2.gz	FFSWDNDMJCFPOX-QILLFSRXSA-N	1	0	357.429	1.211	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H]1c1ccccc1F	ZINC001079300975	902348302	/nfs/dbraw/zinc/34/83/02/902348302.db2.gz	YEIXWECTOSOJAN-MAUKXSAKSA-N	1	0	352.413	1.869	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CC34CCOCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079278038	902365052	/nfs/dbraw/zinc/36/50/52/902365052.db2.gz	HOGLLCZVLQKTBM-FGTMMUONSA-N	1	0	360.498	1.929	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]Cc2cncn2C)C1	ZINC001079286939	902382430	/nfs/dbraw/zinc/38/24/30/902382430.db2.gz	HFGRUCKUHAUSCL-RPVQJOFSSA-N	1	0	355.417	1.803	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(C3CCC3)nn2)C[C@H]1c1ccccc1F	ZINC001079295763	902400587	/nfs/dbraw/zinc/40/05/87/902400587.db2.gz	SBMRZCQPSJYILI-FUHWJXTLSA-N	1	0	367.428	1.973	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1c1ccccc1F	ZINC001079296933	902402918	/nfs/dbraw/zinc/40/29/18/902402918.db2.gz	ZTUMPGUBSXDEIW-DOTOQJQBSA-N	1	0	366.458	1.330	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2ccnn2C)C[C@H]1c1ccccc1F	ZINC001079297614	902403115	/nfs/dbraw/zinc/40/31/15/902403115.db2.gz	ARVYBKFPZCUJEO-PKOBYXMFSA-N	1	0	354.429	1.709	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(=O)N2CCC(C)CC2)C[C@H]1c1ccccc1F	ZINC001079314971	902410676	/nfs/dbraw/zinc/41/06/76/902410676.db2.gz	VABOGYNMAAAXES-PKOBYXMFSA-N	1	0	371.456	1.601	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCCCC(=O)N2)C[C@H]1c1ccccc1F	ZINC001079319735	902420196	/nfs/dbraw/zinc/42/01/96/902420196.db2.gz	LTMXYHRGXGMNHQ-HHXXYDBFSA-N	1	0	371.456	1.792	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2C)C[C@H]1c1ccccc1F	ZINC001079319912	902421520	/nfs/dbraw/zinc/42/15/20/902421520.db2.gz	WJJPSSFKFFBWBQ-CGTJXYLNSA-N	1	0	357.429	1.354	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ncccc2OC)C[C@H]1c1ccccc1F	ZINC001079307494	902440742	/nfs/dbraw/zinc/44/07/42/902440742.db2.gz	NWKHHEFWYCTIBL-QFBILLFUSA-N	1	0	367.424	1.989	20	30		FDEDRO
Cc1cnc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]2C)cn1	ZINC001079379029	902488618	/nfs/dbraw/zinc/48/86/18/902488618.db2.gz	SUVPQCLQVRVYSE-AUUYWEPGSA-N	1	0	365.437	1.938	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)c1cc[n+]([O-])cc1	ZINC001079384623	902496689	/nfs/dbraw/zinc/49/66/89/902496689.db2.gz	AJVJFSOCMRNGHO-DNVCBOLYSA-N	1	0	366.421	1.473	20	30		FDEDRO
Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]2C)n(C)n1	ZINC001079463786	902635457	/nfs/dbraw/zinc/63/54/57/902635457.db2.gz	MSOKICMUERSMBO-RDTXWAMCSA-N	1	0	367.453	1.881	20	30		FDEDRO
Cc1c[nH]nc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1C	ZINC001079664661	903050758	/nfs/dbraw/zinc/05/07/58/903050758.db2.gz	GIRKENQACOQFSF-RHSMWYFYSA-N	1	0	353.426	1.871	20	30		FDEDRO
CC(C)(C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C#N)[nH]1)C2)[NH+]1CCCC1	ZINC000996089368	903058123	/nfs/dbraw/zinc/05/81/23/903058123.db2.gz	IBWWQEONXQUOCB-PVAVHDDUSA-N	1	0	369.469	1.622	20	30		FDEDRO
C[C@@H]1CN(C(=O)COc2cccc(C#N)c2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000764067213	903362974	/nfs/dbraw/zinc/36/29/74/903362974.db2.gz	GUUVIRVENINNBP-APWZRJJASA-N	1	0	356.470	1.421	20	30		FDEDRO
CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)CC#Cc2ccccc2)C1	ZINC001079860049	903547513	/nfs/dbraw/zinc/54/75/13/903547513.db2.gz	SELHYZNTZDDBHB-YLJYHZDGSA-N	1	0	367.493	1.828	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1cn(C2C[NH+](CCCCC)C2)nn1	ZINC001107218270	904004837	/nfs/dbraw/zinc/00/48/37/904004837.db2.gz	DQJNMGWNHQCFHG-ROUUACIJSA-N	1	0	361.490	1.922	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3CCC3)CCC[C@@H]12	ZINC001107248398	904164529	/nfs/dbraw/zinc/16/45/29/904164529.db2.gz	PJUJRFPTVLXXGM-DNVCBOLYSA-N	1	0	362.474	1.159	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3ccsc3)CCC[C@@H]12	ZINC001107263711	904208640	/nfs/dbraw/zinc/20/86/40/904208640.db2.gz	KJUGRZJBJACLBH-VQIMIIECSA-N	1	0	361.511	1.954	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC([NH2+]Cc3cccc(C#N)c3)CC2)C1	ZINC000996580154	904235991	/nfs/dbraw/zinc/23/59/91/904235991.db2.gz	KKJVFHFLKURFCZ-RDTXWAMCSA-N	1	0	354.454	1.554	20	30		FDEDRO
CC(=O)N[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccc(C#N)cc1)CC2	ZINC001107268088	904237707	/nfs/dbraw/zinc/23/77/07/904237707.db2.gz	NXTHTBNBHFPLSR-NYSBEXSLSA-N	1	0	368.481	1.944	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCn1nc(C)nc1C)CC2	ZINC001107330740	904461084	/nfs/dbraw/zinc/46/10/84/904461084.db2.gz	LOZBJKKKKBDUNA-IEBWSBKVSA-N	1	0	361.490	1.458	20	30		FDEDRO
C=C(Br)CNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1	ZINC000764360967	904478920	/nfs/dbraw/zinc/47/89/20/904478920.db2.gz	IUMPPUKRPQJKAA-GXTWGEPZSA-N	1	0	359.312	1.562	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001084432313	914821670	/nfs/dbraw/zinc/82/16/70/914821670.db2.gz	MBYJLUAAHJRETH-HZPDHXFCSA-N	1	0	351.410	1.642	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C)c(C)o3)CCC[C@@H]12	ZINC001107359894	904586408	/nfs/dbraw/zinc/58/64/08/904586408.db2.gz	PWLOIWMIYCLHEF-YLJYHZDGSA-N	1	0	357.454	1.620	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cn(C)nc1C)CC2	ZINC001107378811	904622894	/nfs/dbraw/zinc/62/28/94/904622894.db2.gz	NLMPEMGVVBAWNL-YZGWKJHDSA-N	1	0	360.502	1.916	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCCC)CC2	ZINC001107379023	904623947	/nfs/dbraw/zinc/62/39/47/904623947.db2.gz	WUIVYUWIGWPMLU-AYOQOUSVSA-N	1	0	351.491	1.201	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)SC)CCC[C@@H]12	ZINC001107370578	904635106	/nfs/dbraw/zinc/63/51/06/904635106.db2.gz	XIOKECQGADMQIP-IIDMSEBBSA-N	1	0	351.516	1.238	20	30		FDEDRO
CC(C)(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCCS(C)(=O)=O)CC2	ZINC001107401443	904778137	/nfs/dbraw/zinc/77/81/37/904778137.db2.gz	OHFXMPGOJJCYTJ-VQIMIIECSA-N	1	0	368.543	1.831	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)NC(=O)CC(F)(F)F)CCC[C@@H]12	ZINC001107417390	904788492	/nfs/dbraw/zinc/78/84/92/904788492.db2.gz	FLEQIYCYROTTBG-WOSRLPQWSA-N	1	0	361.408	1.990	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(C)c3F)CCC[C@@H]12	ZINC001107415153	904825373	/nfs/dbraw/zinc/82/53/73/904825373.db2.gz	YYJMMMJHALALOX-DYESRHJHSA-N	1	0	371.456	1.858	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4[nH]cnc4c3)CCC[C@@H]12	ZINC001107424433	904830826	/nfs/dbraw/zinc/83/08/26/904830826.db2.gz	NVMMURWVRQGTFT-YLJYHZDGSA-N	1	0	367.453	1.582	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3(CC(C)C)CC3)CCC[C@@H]12	ZINC001107434251	904891725	/nfs/dbraw/zinc/89/17/25/904891725.db2.gz	PGFZDPMFYOTUSR-DYESRHJHSA-N	1	0	359.514	1.923	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(CC)n3)CCC[C@@H]12	ZINC001107438851	904916128	/nfs/dbraw/zinc/91/61/28/904916128.db2.gz	KYXRNZBDEBMBQI-WIYYLYMNSA-N	1	0	370.497	1.921	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)[C@H](OC)C1	ZINC001081680787	904928707	/nfs/dbraw/zinc/92/87/07/904928707.db2.gz	KMPHZPDQXCCPGV-BRSBDYLESA-N	1	0	358.486	1.545	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)COCc3ccnc(OC)c3)CCC[C@@H]12	ZINC001107448874	904967529	/nfs/dbraw/zinc/96/75/29/904967529.db2.gz	ZICOMEYZODBUGO-YLJYHZDGSA-N	1	0	357.454	1.601	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(C(CC)CC)C2)[C@H](OC)C1	ZINC001081761555	905043196	/nfs/dbraw/zinc/04/31/96/905043196.db2.gz	GJPVNYIUQWHHAO-CGTJXYLNSA-N	1	0	365.518	1.805	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cc2c(CC)nn(C)c2CC)[C@H](OC)C1	ZINC001081806334	905119083	/nfs/dbraw/zinc/11/90/83/905119083.db2.gz	CSKYUUBAUQPMPV-IEBWSBKVSA-N	1	0	362.518	1.869	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)[C@H](OC)C1	ZINC001081809172	905131538	/nfs/dbraw/zinc/13/15/38/905131538.db2.gz	RGKKVMFXRJEARX-ZJPYXAASSA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3occ4c3CCC4)CCC[C@@H]12	ZINC001107485019	905159805	/nfs/dbraw/zinc/15/98/05/905159805.db2.gz	FQUUECYAEUNMRX-DYESRHJHSA-N	1	0	369.465	1.492	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCOCCO)CC3)cc1	ZINC001107494375	905191993	/nfs/dbraw/zinc/19/19/93/905191993.db2.gz	CPLZZTNZTWEFQX-TZIWHRDSSA-N	1	0	356.466	1.651	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CCC(=O)N3C)CCC[C@@H]12	ZINC001107495459	905199616	/nfs/dbraw/zinc/19/96/16/905199616.db2.gz	OHQHVMJPZWUIEB-MBOZVWFJSA-N	1	0	363.502	1.561	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3ccccn3)CCC[C@@H]12	ZINC001107497063	905203140	/nfs/dbraw/zinc/20/31/40/905203140.db2.gz	POUIEMBWYXAGHA-YLJYHZDGSA-N	1	0	369.469	1.015	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@]3(COC)CCOC3)CCC[C@@H]12	ZINC001107488261	905207844	/nfs/dbraw/zinc/20/78/44/905207844.db2.gz	AGXBEYYTRUKZFH-RLLQIKCJSA-N	1	0	364.486	1.050	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C	ZINC001081856841	905246432	/nfs/dbraw/zinc/24/64/32/905246432.db2.gz	NCJNHWLVHLZDIP-BRWVUGGUSA-N	1	0	362.499	1.419	20	30		FDEDRO
CC#CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCCS(C)(=O)=O)CC2	ZINC001107512540	905275388	/nfs/dbraw/zinc/27/53/88/905275388.db2.gz	FPOOWBIAEZZENR-IEBWSBKVSA-N	1	0	368.543	1.976	20	30		FDEDRO
Cc1nc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)cs1	ZINC001107516604	905317476	/nfs/dbraw/zinc/31/74/76/905317476.db2.gz	FAZIZBBJCZPKGX-RHSMWYFYSA-N	1	0	361.471	1.066	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)COc3cnn(C)c3)CCC[C@@H]12	ZINC001107518609	905331738	/nfs/dbraw/zinc/33/17/38/905331738.db2.gz	YVSPSFFVOZMRRL-NVXWUHKLSA-N	1	0	352.866	1.912	20	30		FDEDRO
CO[C@@H](CC(C)C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107538868	905401313	/nfs/dbraw/zinc/40/13/13/905401313.db2.gz	YOPWLKVOYIKFLZ-FRQCXROJSA-N	1	0	364.490	1.048	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)N(C)CC)CC3)c1	ZINC001107538415	905435060	/nfs/dbraw/zinc/43/50/60/905435060.db2.gz	NBYUJKLLSQWTGS-WIYYLYMNSA-N	1	0	368.481	1.516	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3occc3C)CCC[C@@H]12	ZINC001107541768	905457572	/nfs/dbraw/zinc/45/75/72/905457572.db2.gz	IEJJBYILJCRONG-YLJYHZDGSA-N	1	0	357.454	1.241	20	30		FDEDRO
COc1cc(=O)[nH]cc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C	ZINC001080462764	905462251	/nfs/dbraw/zinc/46/22/51/905462251.db2.gz	IGPLODFMYVVXBT-CXAGYDPISA-N	1	0	366.421	1.918	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCCC(=O)N3)CCC[C@@H]12	ZINC001107543230	905467189	/nfs/dbraw/zinc/46/71/89/905467189.db2.gz	ASJSSSWSLMSIND-MBOZVWFJSA-N	1	0	363.502	1.609	20	30		FDEDRO
C#CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)CC1	ZINC000996782137	905491035	/nfs/dbraw/zinc/49/10/35/905491035.db2.gz	IQXZGMCDHKSBPM-AABGDIPYSA-N	1	0	359.514	1.480	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCC([NH+]2CCN(CCF)CC2)CC1	ZINC000996789428	905527987	/nfs/dbraw/zinc/52/79/87/905527987.db2.gz	NDPQXMPGYLAMCS-BTRQGYIVSA-N	1	0	367.509	1.982	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1CN(C(=O)C(C)(C)[N@H+](C)CC)C1	ZINC001080574785	905726301	/nfs/dbraw/zinc/72/63/01/905726301.db2.gz	QPQVMLMWAADACL-CVEARBPZSA-N	1	0	351.491	1.367	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@H]2C)cc1	ZINC001080575442	905728093	/nfs/dbraw/zinc/72/80/93/905728093.db2.gz	WKBBBODWFDGLSI-OXQOHEQNSA-N	1	0	366.465	1.725	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)CN3C(=O)NC(=O)C3(C)C)CCC[C@@H]12	ZINC001107597164	905858650	/nfs/dbraw/zinc/85/86/50/905858650.db2.gz	XYUZHJPSNJANSY-AUUYWEPGSA-N	1	0	362.474	1.254	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)COCc3ncnn3C)CCC[C@@H]12	ZINC001107594964	905883963	/nfs/dbraw/zinc/88/39/63/905883963.db2.gz	YKDIJDQMDAQARJ-VQIMIIECSA-N	1	0	361.490	1.659	20	30		FDEDRO
CCn1cc(CC(=O)NC[C@]23CCC[C@H]2[N@H+](CC#CCOC)CC3)cn1	ZINC001107606748	905921300	/nfs/dbraw/zinc/92/13/00/905921300.db2.gz	HUERRSFVTPGYMS-UYAOXDASSA-N	1	0	358.486	1.456	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C	ZINC001082133820	905933641	/nfs/dbraw/zinc/93/36/41/905933641.db2.gz	RFWZQRYJWIWAGF-ATZDWAIDSA-N	1	0	356.470	1.358	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc(N3CCCC3)ncn2)[C@H](OC)C1	ZINC001082136372	905948764	/nfs/dbraw/zinc/94/87/64/905948764.db2.gz	WZFKOBXVNNIQHC-IAGOWNOFSA-N	1	0	359.474	1.472	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1OC	ZINC001082149851	905993972	/nfs/dbraw/zinc/99/39/72/905993972.db2.gz	ROFMOWQSXKQNPD-AKHDSKFASA-N	1	0	366.502	1.600	20	30		FDEDRO
Cc1nonc1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1C	ZINC001080697864	905996150	/nfs/dbraw/zinc/99/61/50/905996150.db2.gz	YFBYBVSGTLBIDM-FZKQIMNGSA-N	1	0	369.425	1.460	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cn4ccccc4n3)CCC[C@@H]12	ZINC001107622612	906023647	/nfs/dbraw/zinc/02/36/47/906023647.db2.gz	NVYLWALCLYTWSP-WIYYLYMNSA-N	1	0	366.465	1.959	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)Cc3nc4ncccn4n3)CCC[C@@H]12	ZINC001107631745	906079617	/nfs/dbraw/zinc/07/96/17/906079617.db2.gz	CCVULIDJRYESQX-DNVCBOLYSA-N	1	0	352.442	1.051	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(C)C(C)C)CC2	ZINC001107650971	906227072	/nfs/dbraw/zinc/22/70/72/906227072.db2.gz	NZZNEOJJDVSTMZ-SQGPQFPESA-N	1	0	365.518	1.805	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC(=O)N(C)C3)CCC[C@@H]12	ZINC001107646719	906265840	/nfs/dbraw/zinc/26/58/40/906265840.db2.gz	RUODCCFXUNXIRD-MBOZVWFJSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCc3ccccc3)C[C@H]2OC)nn1	ZINC001082212825	906297136	/nfs/dbraw/zinc/29/71/36/906297136.db2.gz	FUEPWVREEPRCBV-SJLPKXTDSA-N	1	0	355.442	1.136	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3CC)C[C@H]2OC)nn1	ZINC001082213262	906298169	/nfs/dbraw/zinc/29/81/69/906298169.db2.gz	SKXQTBVJYCIROC-IEBWSBKVSA-N	1	0	369.469	1.656	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C)C[C@H]2OC)nn1	ZINC001082213077	906298968	/nfs/dbraw/zinc/29/89/68/906298968.db2.gz	JYZNVRNUFBQSQS-SJLPKXTDSA-N	1	0	355.442	1.402	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]2C)cn1	ZINC001080809416	906313207	/nfs/dbraw/zinc/31/32/07/906313207.db2.gz	QJOUXNPJOSYESB-RVKKMQEKSA-N	1	0	354.454	1.029	20	30		FDEDRO
C[C@@H]1CN(Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C12CC[NH+](CC1)C2	ZINC001080787573	906314563	/nfs/dbraw/zinc/31/45/63/906314563.db2.gz	HUYNNNDUBTVBCL-RDTXWAMCSA-N	1	0	356.445	1.730	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2-c2cccnc2)[C@H](OC)C1	ZINC001082245121	906398851	/nfs/dbraw/zinc/39/88/51/906398851.db2.gz	ZKVVGCAPKHBOEZ-IAGOWNOFSA-N	1	0	355.442	1.867	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CC2)C[C@H]1C	ZINC001080850272	906444354	/nfs/dbraw/zinc/44/43/54/906444354.db2.gz	GLURATLHGXOSEL-ZRGWGRIASA-N	1	0	353.466	1.314	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCC[C@H]3CCOC3)C[C@H]2OC)nc1	ZINC001082333394	906826611	/nfs/dbraw/zinc/82/66/11/906826611.db2.gz	FPVJOHAETMTBCM-QXAKKESOSA-N	1	0	357.454	1.309	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](OC)C3CCC3)C[C@H]2OC)cn1	ZINC001082334066	906832677	/nfs/dbraw/zinc/83/26/77/906832677.db2.gz	QNSMNRFSHZGZGH-GUDVDZBRSA-N	1	0	357.454	1.307	20	30		FDEDRO
C#CCC[NH2+][C@H]1CCN(c2cccc(CNC(=O)[C@H]3CC[C@@H](C)O3)n2)C1	ZINC001127852588	906909622	/nfs/dbraw/zinc/90/96/22/906909622.db2.gz	RPEWBXZBGDEDSH-BPQIPLTHSA-N	1	0	356.470	1.457	20	30		FDEDRO
N#Cc1ccccc1C[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1	ZINC000997010129	906921936	/nfs/dbraw/zinc/92/19/36/906921936.db2.gz	KSAQKVXIGWFGEJ-CABCVRRESA-N	1	0	354.454	1.540	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2nnc(C(C)C)n2C)CC1	ZINC000997010946	906923636	/nfs/dbraw/zinc/92/36/36/906923636.db2.gz	DYCFCGKQPYMKFM-CVEARBPZSA-N	1	0	361.490	1.610	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccc(CC)cc2)C[C@H]1O	ZINC001077698969	906969721	/nfs/dbraw/zinc/96/97/21/906969721.db2.gz	JMYWDJXHWHZGBN-WTGUMLROSA-N	1	0	358.482	1.544	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3ccc(F)cn3)C[C@H]2C)CC1	ZINC001080997402	906969892	/nfs/dbraw/zinc/96/98/92/906969892.db2.gz	BSZRCTQDNPMPSW-DNVCBOLYSA-N	1	0	358.461	1.502	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3ncc(C4CC4)o3)C[C@H]2C)CC1	ZINC001080997807	906972800	/nfs/dbraw/zinc/97/28/00/906972800.db2.gz	KYHILEROYLICQL-CRAIPNDOSA-N	1	0	370.497	1.834	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(N3CCOCC3)CCCC1)C2	ZINC001112539356	906996972	/nfs/dbraw/zinc/99/69/72/906996972.db2.gz	WDGHLKPDJMECPS-ICSRJNTNSA-N	1	0	359.514	1.483	20	30		FDEDRO
COC(=O)CCC[NH+]1CCC(N=Nc2nc3ccccc3c(=O)n2C)CC1	ZINC000727061412	907120730	/nfs/dbraw/zinc/12/07/30/907120730.db2.gz	IKFALQUNLDROSF-UHFFFAOYSA-N	1	0	371.441	1.750	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2COC)C[C@H]1c1ccccc1	ZINC001081135109	907238116	/nfs/dbraw/zinc/23/81/16/907238116.db2.gz	GYIJIHUZVGMGPV-FUHWJXTLSA-N	1	0	352.438	1.398	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(C)c(C)n[nH]c2=O)C[C@H]1c1ccccc1	ZINC001081156715	907274037	/nfs/dbraw/zinc/27/40/37/907274037.db2.gz	ZHTNPZQJYIPLLS-DLBZAZTESA-N	1	0	350.422	1.630	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn([C@H]3CCOC3)nn2)C[C@H]1c1ccccc1	ZINC001081208958	907313669	/nfs/dbraw/zinc/31/36/69/907313669.db2.gz	XBDXGYLGJWZEDQ-OKZBNKHCSA-N	1	0	365.437	1.071	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccc(C(=O)NC)n2)C[C@H]1c1ccccc1	ZINC001081219274	907331145	/nfs/dbraw/zinc/33/11/45/907331145.db2.gz	UDYZEZVNZSNYGX-QFBILLFUSA-N	1	0	364.449	1.825	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C(=O)Nc2cc(C)on2)C[C@H]1c1ccccc1	ZINC001081226825	907341260	/nfs/dbraw/zinc/34/12/60/907341260.db2.gz	JQHNQRRYUXVJCS-JKSUJKDBSA-N	1	0	354.410	1.692	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn3cc(C)cnc23)C[C@H]1c1ccccc1	ZINC001081188784	907364111	/nfs/dbraw/zinc/36/41/11/907364111.db2.gz	FRWQBLAOJZLPCA-RBUKOAKNSA-N	1	0	359.433	1.869	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3n[nH]c(=O)n3c2)C[C@H]1c1ccccc1	ZINC001081197224	907378373	/nfs/dbraw/zinc/37/83/73/907378373.db2.gz	PJSVGEUAPNUHRZ-DLBZAZTESA-N	1	0	361.405	1.266	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082420523	907594501	/nfs/dbraw/zinc/59/45/01/907594501.db2.gz	WBPWBXLFBYJZMX-RDTXWAMCSA-N	1	0	353.426	1.573	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082426001	907665572	/nfs/dbraw/zinc/66/55/72/907665572.db2.gz	JGEFPXZQFNFVES-CXAGYDPISA-N	1	0	356.405	1.316	20	30		FDEDRO
Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(C#N)ccc3F)C2)nn1C	ZINC001082439485	907768141	/nfs/dbraw/zinc/76/81/41/907768141.db2.gz	YPGHPUPZNYRNAN-KZULUSFZSA-N	1	0	355.417	1.990	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3cnn(C)c3)C[C@H]2C)cc1C#N	ZINC001082442592	907782864	/nfs/dbraw/zinc/78/28/64/907782864.db2.gz	HVEJFJCXSOCHPU-RDTXWAMCSA-N	1	0	367.453	1.480	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCN1CCCC1=O	ZINC001032409290	907854378	/nfs/dbraw/zinc/85/43/78/907854378.db2.gz	JGSRHDWOEPRALZ-FJIDUMEYSA-N	1	0	361.486	1.265	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1[NH2+]Cc1cn(C)nc1C(F)F	ZINC001082464902	907899682	/nfs/dbraw/zinc/89/96/82/907899682.db2.gz	PZKQXMLIHPLHSB-QMTHXVAHSA-N	1	0	362.384	1.808	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1[NH2+]Cc1cc(=O)[nH]c(C2CC2)n1	ZINC001082483703	907906802	/nfs/dbraw/zinc/90/68/02/907906802.db2.gz	BZPSAEQBGQSPKY-BDJLRTHQSA-N	1	0	366.425	1.510	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1[NH2+]Cc1cccc(C(N)=O)c1	ZINC001082484009	907908710	/nfs/dbraw/zinc/90/87/10/907908710.db2.gz	ZSMPMZFTWZSPTG-SJKOYZFVSA-N	1	0	351.410	1.236	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082518242	908203029	/nfs/dbraw/zinc/20/30/29/908203029.db2.gz	GKDAHBKXLGJYOB-CZPYZCIJSA-N	1	0	360.483	1.471	20	30		FDEDRO
C[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC[NH+](Cc2ccccc2C#N)CC1	ZINC000997306988	908223759	/nfs/dbraw/zinc/22/37/59/908223759.db2.gz	FOROTIBCOIIKFQ-XWIAVFTESA-N	1	0	354.454	1.396	20	30		FDEDRO
C[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000997307908	908226043	/nfs/dbraw/zinc/22/60/43/908226043.db2.gz	UCHOLWREJOSXLJ-XWIAVFTESA-N	1	0	354.454	1.396	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCO[C@@H](C)C2)C1	ZINC001082533768	908301177	/nfs/dbraw/zinc/30/11/77/908301177.db2.gz	ZCHCSYUSHCPUNF-VNHYZAJKSA-N	1	0	371.909	1.449	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC1	ZINC000997356741	908311199	/nfs/dbraw/zinc/31/11/99/908311199.db2.gz	FOXJEOJZJNGWCD-JIFZMYKYSA-N	1	0	369.509	1.626	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2(C3CC3)CC2)CC1	ZINC000997357786	908327154	/nfs/dbraw/zinc/32/71/54/908327154.db2.gz	PHVKHLUMGSKNLF-QYZOEREBSA-N	1	0	369.509	1.770	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cccc(OCC(N)=O)c2)C[C@H]1C	ZINC001082543892	908428883	/nfs/dbraw/zinc/42/88/83/908428883.db2.gz	WQGVRYZUTQJPSA-IAQYHMDHSA-N	1	0	351.834	1.353	20	30		FDEDRO
CC[C@@]1(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)s3)C2)CCNC1=O	ZINC001082571934	908569670	/nfs/dbraw/zinc/56/96/70/908569670.db2.gz	GVZPBDPLWSXDHQ-CDHAZOANSA-N	1	0	360.483	1.473	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(=O)c(OC)co2)C1	ZINC001082560697	908623453	/nfs/dbraw/zinc/62/34/53/908623453.db2.gz	OOHMLXASLFRVLP-GDBMZVCRSA-N	1	0	371.437	1.886	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC001082567907	908704215	/nfs/dbraw/zinc/70/42/15/908704215.db2.gz	KQSWARBTQUMFPF-YSGRDPCXSA-N	1	0	368.456	1.731	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082590285	908848259	/nfs/dbraw/zinc/84/82/59/908848259.db2.gz	MZVFZJAWNAPWOU-TWKYDXJASA-N	1	0	374.460	1.353	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCCNC2=O)C1	ZINC001082600300	908963090	/nfs/dbraw/zinc/96/30/90/908963090.db2.gz	MWDGOFFAZGXXCC-DJIMGWMZSA-N	1	0	357.454	1.580	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H]3CCCN(C)C3=O)C2)cc1	ZINC001082600330	908963325	/nfs/dbraw/zinc/96/33/25/908963325.db2.gz	OWYWJPQDKWOLFM-AYOQOUSVSA-N	1	0	371.481	1.922	20	30		FDEDRO
C[C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082614921	909052611	/nfs/dbraw/zinc/05/26/11/909052611.db2.gz	SIYUTZGKUOFOEY-CZUORRHYSA-N	1	0	360.483	1.569	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@H+]1CC[C@H](C)C1	ZINC000997551073	909149749	/nfs/dbraw/zinc/14/97/49/909149749.db2.gz	USCHNXYNHYHMRX-MHORFTMASA-N	1	0	370.497	1.878	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)COc2ccc(F)cc2F)[C@H](OC)C1	ZINC001212363615	909172320	/nfs/dbraw/zinc/17/23/20/909172320.db2.gz	CAWLYQZBXLMUPH-NVXWUHKLSA-N	1	0	370.396	1.362	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O	ZINC001077811836	909172733	/nfs/dbraw/zinc/17/27/33/909172733.db2.gz	MOYIYMVMTUXQEB-MANSERQUSA-N	1	0	366.502	1.336	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CCc3cncc(C)c3)C[C@H]2C)C1=O	ZINC001082634432	909204919	/nfs/dbraw/zinc/20/49/19/909204919.db2.gz	FNIRBXTYEQOIMJ-BHIYHBOVSA-N	1	0	370.497	1.546	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3nccc4occc43)C[C@H]2C)C1=O	ZINC001082656602	909414246	/nfs/dbraw/zinc/41/42/46/909414246.db2.gz	GVXKIUFNAYWWRX-VNQPRFMTSA-N	1	0	368.437	1.665	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@@H]1O	ZINC001083789897	909456625	/nfs/dbraw/zinc/45/66/25/909456625.db2.gz	DBRQBVNBWUUDDE-YSHGAJCASA-N	1	0	355.438	1.420	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2C)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082680730	909589606	/nfs/dbraw/zinc/58/96/06/909589606.db2.gz	XADRIMWVXCPZOQ-FHLIZLRMSA-N	1	0	354.454	1.506	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1	ZINC001082682024	909601203	/nfs/dbraw/zinc/60/12/03/909601203.db2.gz	MOVQAHWURPYOKT-BZUAXINKSA-N	1	0	356.532	1.850	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3nc(Cl)cs3)C[C@H]2C)C1=O	ZINC001082704486	909709447	/nfs/dbraw/zinc/70/94/47/909709447.db2.gz	LWFSFWCDCOUUEW-IJLUTSLNSA-N	1	0	368.890	1.634	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)CC1	ZINC001082722997	909832757	/nfs/dbraw/zinc/83/27/57/909832757.db2.gz	SBXHSQJTZGBLIX-HLLBOEOZSA-N	1	0	354.516	1.604	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@@H]3CCN(S(C)(=O)=O)C3)C2)C1	ZINC001082729397	909859056	/nfs/dbraw/zinc/85/90/56/909859056.db2.gz	XOUMZEFIKAPOBO-OWCLPIDISA-N	1	0	369.531	1.061	20	30		FDEDRO
C#CCC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@@H]1C[C@@H]3C=C[C@H]1CC3)CC2	ZINC001128006950	909900431	/nfs/dbraw/zinc/90/04/31/909900431.db2.gz	YPPDIJJZPSECRH-VSZNYVQBSA-N	1	0	367.497	1.814	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCCC(=O)N2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082734717	909901670	/nfs/dbraw/zinc/90/16/70/909901670.db2.gz	VLDDPXYEKRMDNU-ZTFGCOKTSA-N	1	0	354.454	1.554	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082737611	909913615	/nfs/dbraw/zinc/91/36/15/909913615.db2.gz	GJYLESBYILAJID-FXHACXQTSA-N	1	0	358.417	1.160	20	30		FDEDRO
C#CCC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@@H]1CCO[C@H]1C1CC1)CC2	ZINC001128011904	910034445	/nfs/dbraw/zinc/03/44/45/910034445.db2.gz	FTVPHURUPWWULK-MDZRGWNJSA-N	1	0	371.485	1.027	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)nn1	ZINC001082796242	910184738	/nfs/dbraw/zinc/18/47/38/910184738.db2.gz	YLNPBDXBVPAYHK-CRAIPNDOSA-N	1	0	364.453	1.976	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccnc(OC)c3)C2)nn1	ZINC001082796287	910184775	/nfs/dbraw/zinc/18/47/75/910184775.db2.gz	ZVCNMMPSPWGBCS-GDBMZVCRSA-N	1	0	370.457	1.508	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C[C@H]1C	ZINC001082797674	910190011	/nfs/dbraw/zinc/19/00/11/910190011.db2.gz	JGCAUAGJRBSPMJ-NOCIGQNYSA-N	1	0	356.470	1.614	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3csnc3OC)C2)nn1	ZINC001082791536	910193591	/nfs/dbraw/zinc/19/35/91/910193591.db2.gz	TVZQCUUCEZTBFI-DGCLKSJQSA-N	1	0	362.459	1.180	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+]CC2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)c1	ZINC000998084711	910315656	/nfs/dbraw/zinc/31/56/56/910315656.db2.gz	WWRUAPZZCXBKQQ-CVEARBPZSA-N	1	0	358.417	1.147	20	30		FDEDRO
CC(C)n1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)nn1	ZINC001082829973	910352282	/nfs/dbraw/zinc/35/22/82/910352282.db2.gz	XUQNEYNCJOHRPK-RHSMWYFYSA-N	1	0	352.442	1.981	20	30		FDEDRO
COc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)nn1	ZINC001082840746	910447824	/nfs/dbraw/zinc/44/78/24/910447824.db2.gz	ITMPRPKDODVJHB-CXAGYDPISA-N	1	0	351.410	1.607	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc(C)c(CC)o3)C[C@H]2C)C1=O	ZINC001082856376	910487423	/nfs/dbraw/zinc/48/74/23/910487423.db2.gz	FWLYWPNHEHNAFH-BZUAXINKSA-N	1	0	359.470	1.987	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cn(C)nc2C)C1	ZINC001082869067	910510996	/nfs/dbraw/zinc/51/09/96/910510996.db2.gz	NLTIBGLVSCOFNE-RDTXWAMCSA-N	1	0	367.453	1.386	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nccn3C(F)F)C2)nc1	ZINC001082869189	910513096	/nfs/dbraw/zinc/51/30/96/910513096.db2.gz	WWIYKMNYSCMZHF-IUODEOHRSA-N	1	0	359.380	1.905	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCCCC(=O)N2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082884251	910659450	/nfs/dbraw/zinc/65/94/50/910659450.db2.gz	KIADWQOGWCTHNZ-ATZDWAIDSA-N	1	0	368.481	1.944	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)C1	ZINC001082884801	910663636	/nfs/dbraw/zinc/66/36/36/910663636.db2.gz	GXZLNONVLMMLIQ-NSISKUIASA-N	1	0	367.493	1.656	20	30		FDEDRO
C[NH+](C)CC(C)(C)CNC(=S)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000727291115	910747232	/nfs/dbraw/zinc/74/72/32/910747232.db2.gz	YEGTZXLHTFDIHB-UHFFFAOYSA-N	1	0	374.558	1.974	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cn4ccccc4n3)C[C@H]2C)C1=O	ZINC001082899507	910765531	/nfs/dbraw/zinc/76/55/31/910765531.db2.gz	UFQGCLAAXXNTST-OWCLPIDISA-N	1	0	367.453	1.171	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082911521	910855631	/nfs/dbraw/zinc/85/56/31/910855631.db2.gz	FLAZEMSPZKWDRY-RDTXWAMCSA-N	1	0	368.412	1.496	20	30		FDEDRO
C=C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)c1ccccc1	ZINC001082936843	911020303	/nfs/dbraw/zinc/02/03/03/911020303.db2.gz	AVFCCJCCVGNMPN-KBAYOESNSA-N	1	0	369.465	1.542	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCCC[NH+]1CCCC1	ZINC000273114454	911089648	/nfs/dbraw/zinc/08/96/48/911089648.db2.gz	YHHINFHBNUXJPE-UHFFFAOYSA-N	1	0	374.441	1.124	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2N(C)C)C[C@H]1O	ZINC001077821704	911144409	/nfs/dbraw/zinc/14/44/09/911144409.db2.gz	BZDVZTADROOGHK-CUDHKJQZSA-N	1	0	373.497	1.395	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2CCN(C(C)=O)c3ccccc32)CC1	ZINC000921667204	911177510	/nfs/dbraw/zinc/17/75/10/911177510.db2.gz	MBIDVOQRSJBPAX-SFHVURJKSA-N	1	0	354.454	1.881	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cnn(C)c2)C[C@H]1C	ZINC001082968630	911193433	/nfs/dbraw/zinc/19/34/33/911193433.db2.gz	HEJKCPHHPLUZPI-SCDSUCTJSA-N	1	0	355.280	1.869	20	30		FDEDRO
C=CCn1cccc1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2	ZINC000998632425	911348738	/nfs/dbraw/zinc/34/87/38/911348738.db2.gz	RTWTZSWYFSIFNO-MHORFTMASA-N	1	0	370.497	1.878	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nnc(C(C)C)[nH]2)C1	ZINC000998787727	911672469	/nfs/dbraw/zinc/67/24/69/911672469.db2.gz	KVMALBDFXWBOSI-FJBKBRRZSA-N	1	0	361.490	1.988	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C	ZINC001212409268	911722918	/nfs/dbraw/zinc/72/29/18/911722918.db2.gz	BISQYWPEEOPDPF-BRWVUGGUSA-N	1	0	362.499	1.275	20	30		FDEDRO
CC#CCN1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)[C@H]2C1	ZINC001083082447	911947601	/nfs/dbraw/zinc/94/76/01/911947601.db2.gz	XZCBNKYRKUGZMO-YSIASYRMSA-N	1	0	359.514	1.576	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4c(cc[nH]c4=O)n3)[C@H]2C1	ZINC001083124952	912089343	/nfs/dbraw/zinc/08/93/43/912089343.db2.gz	XXFZIHTWURKABL-DLBZAZTESA-N	1	0	354.410	1.437	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1	ZINC000999184866	912196250	/nfs/dbraw/zinc/19/62/50/912196250.db2.gz	GDIAHMSWOYXWLT-FHLIZLRMSA-N	1	0	354.454	1.554	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CCCNC4=O)[C@@H]3C2)cc1	ZINC001084483009	914923784	/nfs/dbraw/zinc/92/37/84/914923784.db2.gz	PSSAVFNBZYTAFM-QZTJIDSGSA-N	1	0	367.453	1.006	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCNC(=O)CC4)[C@@H]3C2)cc1	ZINC001084548648	915319759	/nfs/dbraw/zinc/31/97/59/915319759.db2.gz	VVPSGXXHSWVOFO-IPMKNSEASA-N	1	0	366.465	1.507	20	30		FDEDRO
CN1C(=O)CC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001084584225	915493065	/nfs/dbraw/zinc/49/30/65/915493065.db2.gz	NNLPELRZTSAWJP-FGTMMUONSA-N	1	0	352.438	1.212	20	30		FDEDRO
CN1C(=O)CC[C@@H]1C(=O)N1C[C@H]2CCN(Cc3ccc(C#N)cc3F)C[C@H]21	ZINC001084601454	915534988	/nfs/dbraw/zinc/53/49/88/915534988.db2.gz	BRILYEIVHQEGOR-KBAYOESNSA-N	1	0	370.428	1.351	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)CCc4cn[nH]n4)[C@@H]3C2)c1	ZINC001084671214	916037003	/nfs/dbraw/zinc/03/70/03/916037003.db2.gz	FWPBHFDHLUEPBD-SJLPKXTDSA-N	1	0	350.426	1.342	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](CCc4ccns4)C[C@H]32)nc1	ZINC001084783872	917089105	/nfs/dbraw/zinc/08/91/05/917089105.db2.gz	OUQIYVLCDDUGHK-CRAIPNDOSA-N	1	0	352.463	1.908	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H](Cc2ccccc2Cl)C(N)=O)CC1	ZINC000730795908	917291904	/nfs/dbraw/zinc/29/19/04/917291904.db2.gz	CXKUGQYONGFWQI-MRXNPFEDSA-N	1	0	361.873	1.445	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNC(=O)NCCNc2ncccc2C#N)CC1	ZINC000730831370	917331368	/nfs/dbraw/zinc/33/13/68/917331368.db2.gz	ZWNDFMQEQDNBJZ-UHFFFAOYSA-N	1	0	374.489	1.554	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)COc3ccc(C(N)=O)cc3)[C@@H]2C1	ZINC001084839921	917581797	/nfs/dbraw/zinc/58/17/97/917581797.db2.gz	FRMMNSIWQHSVSI-SJLPKXTDSA-N	1	0	357.454	1.663	20	30		FDEDRO
CC(C)[NH2+][C@@H]1CCCN(CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1	ZINC000731032353	917643927	/nfs/dbraw/zinc/64/39/27/917643927.db2.gz	HVMPPOUBQYLLLS-ZBFHGGJFSA-N	1	0	367.453	1.974	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1	ZINC000731129717	917775803	/nfs/dbraw/zinc/77/58/03/917775803.db2.gz	BFGAFYNJYZFCOQ-QGZVFWFLSA-N	1	0	355.438	1.724	20	30		FDEDRO
Cc1c(C(=O)N[C@@H](C#N)C2CC2)nnn1-c1cccc2c1CC[N@@H+](C)C2	ZINC000731476953	918149494	/nfs/dbraw/zinc/14/94/94/918149494.db2.gz	RRMXHJOCVGJZRQ-INIZCTEOSA-N	1	0	350.426	1.596	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3CC[N@@H+](CCO[C@H]4CC4(F)F)[C@H]3C2)c1	ZINC001084915567	918287522	/nfs/dbraw/zinc/28/75/22/918287522.db2.gz	GUFIUDBIBUCGDJ-KBMXLJTQSA-N	1	0	364.396	1.847	20	30		FDEDRO
Cc1cc(C)n(CC[N@@H+]2CC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)n1	ZINC001084915887	918289546	/nfs/dbraw/zinc/28/95/46/918289546.db2.gz	WQTYLPJTFWYMOY-MJGOQNOKSA-N	1	0	366.469	1.936	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)c2ccc(CN3CCCCC3=O)cc2)CC1	ZINC000731637168	918298934	/nfs/dbraw/zinc/29/89/34/918298934.db2.gz	PXWPKTHNNFFTJK-UHFFFAOYSA-N	1	0	354.454	1.917	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)CN4CCOCC4)C[C@@H]32)c1	ZINC001084922423	918370965	/nfs/dbraw/zinc/37/09/65/918370965.db2.gz	BBUZVAGSNAWMQC-UXHICEINSA-N	1	0	368.481	1.313	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cc[nH]c4CC)C[C@@H]32)C1=O	ZINC001084933525	918432497	/nfs/dbraw/zinc/43/24/97/918432497.db2.gz	MPOMAPXSFMFOEU-SNRMKQJTSA-N	1	0	370.497	1.900	20	30		FDEDRO
C[NH+](C)CCCNC(=S)NN=C1C(=O)Nc2c1c(Cl)ccc2F	ZINC000731928235	918844967	/nfs/dbraw/zinc/84/49/67/918844967.db2.gz	GKJHNXYUOPHVQC-UHFFFAOYSA-N	1	0	357.842	1.551	20	30		FDEDRO
CC[NH+](CC)Cc1cc(C(C)=NNC(=S)NCC(=O)NC)ccc1O	ZINC000731930071	918853701	/nfs/dbraw/zinc/85/37/01/918853701.db2.gz	ZSPXLYSDJMXFMO-UHFFFAOYSA-N	1	0	365.503	1.168	20	30		FDEDRO
C=CCOc1ccc(/C=C\C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1OC	ZINC000732150075	919151010	/nfs/dbraw/zinc/15/10/10/919151010.db2.gz	WBNCKHXTLJAZHT-KMDWOBIYSA-N	1	0	359.470	1.635	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnc4cc(C)nn4c3C)C[C@@H]21	ZINC001085002038	919477056	/nfs/dbraw/zinc/47/70/56/919477056.db2.gz	YRZUWJULBXWRJL-AEFFLSMTSA-N	1	0	351.454	1.906	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnn(C)c3-n3cccc3)C[C@@H]21	ZINC001085002138	919481629	/nfs/dbraw/zinc/48/16/29/919481629.db2.gz	IAYQTSKRWMZROG-AEFFLSMTSA-N	1	0	351.454	1.771	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN(C(C)(C)C)C3=O)C[C@@H]21	ZINC001085013855	919645718	/nfs/dbraw/zinc/64/57/18/919645718.db2.gz	MDSXMZCLLCMZTD-KURKYZTESA-N	1	0	359.514	1.970	20	30		FDEDRO
C[NH+](C)CC1CCN(CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1	ZINC000732569684	919809215	/nfs/dbraw/zinc/80/92/15/919809215.db2.gz	VNPRBSJQCGBORJ-MRXNPFEDSA-N	1	0	367.453	1.785	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3c4n(c(=O)n3C)CCCC4)C[C@@H]21	ZINC001085032613	919929519	/nfs/dbraw/zinc/92/95/19/919929519.db2.gz	QITDBECAIQYFJT-WBVHZDCISA-N	1	0	356.470	1.083	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3nnc[nH]3)C[C@@H]21	ZINC001085071303	920473283	/nfs/dbraw/zinc/47/32/83/920473283.db2.gz	DHRJOQQBVYFLTP-PBHICJAKSA-N	1	0	350.426	1.342	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3C(=O)N(C)C)C[C@@H]21	ZINC001085077478	920575653	/nfs/dbraw/zinc/57/56/53/920575653.db2.gz	DNBDVJCAVRASJV-APWZRJJASA-N	1	0	353.466	1.948	20	30		FDEDRO
CC[C@H](C#N)Oc1cc(CNC(=S)NCC[NH+](C)C)ccc1OC	ZINC000733209834	920777515	/nfs/dbraw/zinc/77/75/15/920777515.db2.gz	ZZOGWSXUMGULCI-CQSZACIVSA-N	1	0	350.488	1.902	20	30		FDEDRO
C=C(Br)CN1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]21	ZINC001085092692	920803347	/nfs/dbraw/zinc/80/33/47/920803347.db2.gz	MLDHDYYUEAQSHN-ILXRZTDVSA-N	1	0	356.308	1.770	20	30		FDEDRO
O=C(NCC[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1)C1N=CC=CC1=O	ZINC000733332778	920988333	/nfs/dbraw/zinc/98/83/33/920988333.db2.gz	AMOUOTFAXJYLGP-FTHOYRMOSA-N	1	0	371.437	1.860	20	30		FDEDRO
COc1cc2c(c(C[NH2+]CCNC(=O)C3N=CC=CC3=O)c1)O[C@@H](C)C2	ZINC000733333704	920988550	/nfs/dbraw/zinc/98/85/50/920988550.db2.gz	SDJXGNGWUSYOJJ-LCIOQVQZSA-N	1	0	357.410	1.635	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCNC(=O)C2)c1	ZINC001085164466	921916541	/nfs/dbraw/zinc/91/65/41/921916541.db2.gz	JJGZKJHACQCQLF-KZNAEPCWSA-N	1	0	354.454	1.601	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCCCC2)[nH]1	ZINC001085173910	921970234	/nfs/dbraw/zinc/97/02/34/921970234.db2.gz	OEKWUTNUUUPAFV-IAGOWNOFSA-N	1	0	371.485	1.920	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2cccnc2)C1=O	ZINC001085171564	921980788	/nfs/dbraw/zinc/98/07/88/921980788.db2.gz	VQLMWQBXYCFMRX-KURKYZTESA-N	1	0	356.470	1.428	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C(N)=O)c2)c[nH]1	ZINC001085174457	921992931	/nfs/dbraw/zinc/99/29/31/921992931.db2.gz	CCYFQDDGPAPOFY-QZTJIDSGSA-N	1	0	365.437	1.816	20	30		FDEDRO
CC(C)(C)N1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(C#N)c2)C1=O	ZINC001085176459	922006574	/nfs/dbraw/zinc/00/65/74/922006574.db2.gz	HJJADTWWTXDPNL-ZACQAIPSSA-N	1	0	371.485	1.916	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnn(C)c1N	ZINC001085178715	922026834	/nfs/dbraw/zinc/02/68/34/922026834.db2.gz	QRKQGOGGZWXSIR-VXGBXAGGSA-N	1	0	356.268	1.542	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@@H]3C2)n1	ZINC001066077109	922549280	/nfs/dbraw/zinc/54/92/80/922549280.db2.gz	ZDISSVILPZDKQL-NRSFXHEJSA-N	1	0	353.470	1.497	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)CSCC#N)CC2)CC[N@@H+]1C	ZINC001066217418	922610667	/nfs/dbraw/zinc/61/06/67/922610667.db2.gz	LQCSXQRVGXLVRG-QLFBSQMISA-N	1	0	352.504	1.081	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CC[NH+](C)C)CC1	ZINC001066217857	922612195	/nfs/dbraw/zinc/61/21/95/922612195.db2.gz	UHLBDYXCBLAQJZ-ZACQAIPSSA-N	1	0	351.491	1.417	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+][C@@]1(CO)CCCN(Cc2ccccc2)C1	ZINC000733998613	922819445	/nfs/dbraw/zinc/81/94/45/922819445.db2.gz	ABRNGDDNKPCCIW-FQEVSTJZSA-N	1	0	358.486	1.365	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccc(OCC(N)=O)c1	ZINC001085216979	922855596	/nfs/dbraw/zinc/85/55/96/922855596.db2.gz	JWEJKRZBIFLXQT-HZPDHXFCSA-N	1	0	365.861	1.934	20	30		FDEDRO
CN1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)CC1=O	ZINC001085217284	922859138	/nfs/dbraw/zinc/85/91/38/922859138.db2.gz	VRLMQYPGYPEGGC-KZNAEPCWSA-N	1	0	354.454	1.554	20	30		FDEDRO
CN1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)CC1=O	ZINC001085217254	922859545	/nfs/dbraw/zinc/85/95/45/922859545.db2.gz	UFOXDIFOBAHULM-RCCFBDPRSA-N	1	0	354.454	1.554	20	30		FDEDRO
CN1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)CC1=O	ZINC001085217285	922859661	/nfs/dbraw/zinc/85/96/61/922859661.db2.gz	VRLMQYPGYPEGGC-RCCFBDPRSA-N	1	0	354.454	1.554	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc2n(n1)CCO2	ZINC001085226833	922952751	/nfs/dbraw/zinc/95/27/51/922952751.db2.gz	UFNZBDBLDVTHIY-VXGBXAGGSA-N	1	0	369.263	1.815	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2cncs2)C1=O	ZINC001085234452	923018471	/nfs/dbraw/zinc/01/84/71/923018471.db2.gz	VMAVHDNYXRETDG-OAGGEKHMSA-N	1	0	362.499	1.490	20	30		FDEDRO
CCN1CCOC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001085251899	923205756	/nfs/dbraw/zinc/20/57/56/923205756.db2.gz	MEEPFUSGXBYPCN-VAMGGRTRSA-N	1	0	370.497	1.796	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@@H+](CCO)CCC[C@@H](C)O)CC1	ZINC001098368181	923288678	/nfs/dbraw/zinc/28/86/78/923288678.db2.gz	GURHJTFIAAPTSQ-QRQLOZEOSA-N	1	0	368.518	1.414	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(OC)n(C)n1	ZINC001085268061	923339906	/nfs/dbraw/zinc/33/99/06/923339906.db2.gz	GGVKTCHZSPKXRT-VXGBXAGGSA-N	1	0	371.279	1.968	20	30		FDEDRO
Cc1nn[nH]c1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001085293904	923615171	/nfs/dbraw/zinc/61/51/71/923615171.db2.gz	HLCRFWRJELCDGP-HZPDHXFCSA-N	1	0	356.405	1.955	20	30		FDEDRO
CN1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)NC1=O	ZINC001085297638	923632572	/nfs/dbraw/zinc/63/25/72/923632572.db2.gz	NHDUMCJWNRXEFT-BRWVUGGUSA-N	1	0	355.442	1.099	20	30		FDEDRO
CN1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)C1=O	ZINC001085302520	923680233	/nfs/dbraw/zinc/68/02/33/923680233.db2.gz	SRRHSGYJSSOQSB-KZNAEPCWSA-N	1	0	354.454	1.554	20	30		FDEDRO
Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(F)c(C#N)c2)[nH]c1=O	ZINC001085320574	923850516	/nfs/dbraw/zinc/85/05/16/923850516.db2.gz	FQWNJUGSVUMQMQ-HZPDHXFCSA-N	1	0	371.416	1.967	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2c(C)nnn2CC)c1	ZINC001085325779	923916780	/nfs/dbraw/zinc/91/67/80/923916780.db2.gz	DLXUODVVWPFXNO-QZTJIDSGSA-N	1	0	366.469	1.814	20	30		FDEDRO
C[C@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)CCNC1=O	ZINC001085330209	923925295	/nfs/dbraw/zinc/92/52/95/923925295.db2.gz	VFTUYFQMUIENMU-HLIPFELVSA-N	1	0	354.454	1.601	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ncccc2C)nn1	ZINC001085356840	924180696	/nfs/dbraw/zinc/18/06/96/924180696.db2.gz	RAPKVLUUHYDOSW-HZPDHXFCSA-N	1	0	354.458	1.998	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccnc(OC)n2)nn1	ZINC001085357230	924185644	/nfs/dbraw/zinc/18/56/44/924185644.db2.gz	JTUBRYDGEVZWSA-HUUCEWRRSA-N	1	0	371.445	1.094	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnon1	ZINC001085369511	924277569	/nfs/dbraw/zinc/27/75/69/924277569.db2.gz	XURLSVWWSKGSPI-HUUCEWRRSA-N	1	0	355.398	1.781	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cn(CC)cn2)C1=O	ZINC001085395608	924433545	/nfs/dbraw/zinc/43/35/45/924433545.db2.gz	UBVSUZABUAFWRC-BZUAXINKSA-N	1	0	359.474	1.321	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCN(C(C)C)C2=O)cn1	ZINC001085397450	924443527	/nfs/dbraw/zinc/44/35/27/924443527.db2.gz	KHFFMJATORRNSD-GUDVDZBRSA-N	1	0	368.481	1.703	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(CC)on2)C1=O	ZINC001085397882	924445703	/nfs/dbraw/zinc/44/57/03/924445703.db2.gz	BJRPTLFRXGAIST-BZUAXINKSA-N	1	0	360.458	1.655	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCc2ccnn2C)nc1	ZINC001085398304	924447233	/nfs/dbraw/zinc/44/72/33/924447233.db2.gz	AEZRHDVVWWQIDJ-QZTJIDSGSA-N	1	0	351.454	1.670	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc(C3CC3)[nH]2)cn1	ZINC001085399096	924450681	/nfs/dbraw/zinc/45/06/81/924450681.db2.gz	QUUAXLAXZRCHKG-IAGOWNOFSA-N	1	0	364.453	1.889	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H](C)c2nncn2C)cn1	ZINC001085399027	924450961	/nfs/dbraw/zinc/45/09/61/924450961.db2.gz	MOEJWGDAGNVZGA-KBRIMQKVSA-N	1	0	352.442	1.583	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H](C)c2nnc(C)[nH]2)cn1	ZINC001085399097	924451032	/nfs/dbraw/zinc/45/10/32/924451032.db2.gz	QVKHMYWRPNEALZ-CSMYWGQOSA-N	1	0	352.442	1.881	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(C)C1=O	ZINC001085405887	924479242	/nfs/dbraw/zinc/47/92/42/924479242.db2.gz	CVAAGQYHNDPXIY-GUDVDZBRSA-N	1	0	353.466	1.458	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O	ZINC001085406357	924484622	/nfs/dbraw/zinc/48/46/22/924484622.db2.gz	BACGHHPKKQHJPD-RTBURBONSA-N	1	0	368.481	1.253	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCNC1=O	ZINC001085406472	924491948	/nfs/dbraw/zinc/49/19/48/924491948.db2.gz	GYKRZCSIFQRIDK-GUDVDZBRSA-N	1	0	353.466	1.506	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2cccc(C(=O)NCC)c2)CC1	ZINC000735939277	924686965	/nfs/dbraw/zinc/68/69/65/924686965.db2.gz	BUUNPJVHAAZJIN-UHFFFAOYSA-N	1	0	371.437	1.263	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC[N@H+](C[C@H]2CCCO2)CC1	ZINC000739916250	925322812	/nfs/dbraw/zinc/32/28/12/925322812.db2.gz	WDSAITAIXGUNII-MOPGFXCFSA-N	1	0	357.454	1.959	20	30		FDEDRO
N#CCn1c(=O)c2ccccc2nc1CN1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000739927592	925325053	/nfs/dbraw/zinc/32/50/53/925325053.db2.gz	ZHNXXCFHYBWWDA-INIZCTEOSA-N	1	0	351.454	1.838	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC001085867310	925339646	/nfs/dbraw/zinc/33/96/46/925339646.db2.gz	IRAOGGUWTOBWHS-JENIJYKNSA-N	1	0	354.454	1.157	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cccc(S(=O)(=O)NCC)c2)CC1	ZINC000740737178	925420745	/nfs/dbraw/zinc/42/07/45/925420745.db2.gz	CMJWGPCMWPNORT-UHFFFAOYSA-N	1	0	363.483	1.202	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CCc2c(C)nn(CCC#N)c2C)CC1	ZINC000740737459	925421095	/nfs/dbraw/zinc/42/10/95/925421095.db2.gz	NTICGKCUUPMKSK-UHFFFAOYSA-N	1	0	355.486	1.950	20	30		FDEDRO
CC#CCN1CCO[C@@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1	ZINC001108231370	925711419	/nfs/dbraw/zinc/71/14/19/925711419.db2.gz	SPYLITMTPORSSK-URVUXULASA-N	1	0	369.509	1.562	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(C#N)[nH]2)C1	ZINC001006284179	925942481	/nfs/dbraw/zinc/94/24/81/925942481.db2.gz	FTXMPKKRRGNLBY-JFOHDYCDSA-N	1	0	355.442	1.090	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1	ZINC001086089076	925944255	/nfs/dbraw/zinc/94/42/55/925944255.db2.gz	GUTWRQGNAYCGDQ-XDNAFOTISA-N	1	0	359.470	1.351	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CCNc3ccc(C#N)nn3)C2)CC[N@@H+]1C	ZINC001066394059	925973589	/nfs/dbraw/zinc/97/35/89/925973589.db2.gz	POEKOTLKFPHXBI-HYVNUMGLSA-N	1	0	356.474	1.729	20	30		FDEDRO
C=C(Br)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1	ZINC001086120883	926050888	/nfs/dbraw/zinc/05/08/88/926050888.db2.gz	RDQIGXPUBWLMAW-YIYPIFLZSA-N	1	0	360.296	1.099	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1	ZINC001086196458	926259008	/nfs/dbraw/zinc/25/90/08/926259008.db2.gz	LOLNTXYWMPLWTA-XUWVNRHRSA-N	1	0	369.893	1.393	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ncc(Cl)n2C)C1	ZINC001086202106	926286329	/nfs/dbraw/zinc/28/63/29/926286329.db2.gz	ICGSMBIKVLDRFD-RQJABVFESA-N	1	0	352.866	1.649	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CNC(=O)c2cc3c(s2)CCCC3)CC1	ZINC000743489658	926377785	/nfs/dbraw/zinc/37/77/85/926377785.db2.gz	JDORJJDBCXLEGZ-UHFFFAOYSA-N	1	0	373.522	1.961	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccc(N3CCNC3=O)c(C)c2)CC1	ZINC000743492141	926378163	/nfs/dbraw/zinc/37/81/63/926378163.db2.gz	QIJWLVFWSYNPSZ-UHFFFAOYSA-N	1	0	354.454	1.742	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccnc2)CC1	ZINC000743490832	926378208	/nfs/dbraw/zinc/37/82/08/926378208.db2.gz	WQCGXTHAUGQTQD-HKUYNNGSSA-N	1	0	354.454	1.205	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1	ZINC000743898628	926498539	/nfs/dbraw/zinc/49/85/39/926498539.db2.gz	HAYDDMYMJAZPCG-AWEZNQCLSA-N	1	0	361.417	1.623	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCC[N@H+]2CCC[C@@H]2C)cc1	ZINC000743982471	926539133	/nfs/dbraw/zinc/53/91/33/926539133.db2.gz	POVCBZVQRYMHGY-AWEZNQCLSA-N	1	0	373.457	1.533	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC001086390424	926979626	/nfs/dbraw/zinc/97/96/26/926979626.db2.gz	STEZTNBHHBLOIF-GKEYINFOSA-N	1	0	361.417	1.486	20	30		FDEDRO
C=C(Br)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccnn2C)C1	ZINC001086436671	927248888	/nfs/dbraw/zinc/24/88/88/927248888.db2.gz	QLRNEWLWZUKKIH-AAVRWANBSA-N	1	0	367.291	1.917	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C[NH+](CC)CC)CC1	ZINC001066547552	927504676	/nfs/dbraw/zinc/50/46/76/927504676.db2.gz	GYSYQJXHSFCCKB-ZACQAIPSSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@H](O)c2ccccc2F)C1	ZINC001086482669	927531730	/nfs/dbraw/zinc/53/17/30/927531730.db2.gz	QPJNALBOIKIIPE-CHEUSRNYSA-N	1	0	362.445	1.935	20	30		FDEDRO
C=CCN1CC[C@]2(CCC[N@@H+]([C@@H]3CC[C@@H](C(=O)OCC)OC3)C2)C1=O	ZINC001169389876	928532801	/nfs/dbraw/zinc/53/28/01/928532801.db2.gz	TXVINJZTJIVTHT-GJYPPUQNSA-N	1	0	350.459	1.598	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2cccnn2)[C@@H](n2ccnn2)C1	ZINC001129342128	928853294	/nfs/dbraw/zinc/85/32/94/928853294.db2.gz	FLVXCVQLUZOIAV-SJORKVTESA-N	1	0	357.462	1.694	20	30		FDEDRO
C=CC[NH+](CC=C)CCN1CCN(C2CCC(S(C)(=O)=O)CC2)CC1	ZINC001169896566	928951731	/nfs/dbraw/zinc/95/17/31/928951731.db2.gz	HTORSHQCGOJFDD-UHFFFAOYSA-N	1	0	369.575	1.634	20	30		FDEDRO
N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCn1cncn1	ZINC001108951664	929566842	/nfs/dbraw/zinc/56/68/42/929566842.db2.gz	DAFWCNVKCOCSDK-PMPSAXMXSA-N	1	0	362.503	1.427	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cncc(-n3ccnn3)c1)C2	ZINC001109561616	929778802	/nfs/dbraw/zinc/77/88/02/929778802.db2.gz	HRUSJGOEGBKVEQ-NJAFHUGGSA-N	1	0	352.442	1.964	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C2	ZINC001109635840	929985896	/nfs/dbraw/zinc/98/58/96/929985896.db2.gz	VMGLFQNZEIZSGK-MHORFTMASA-N	1	0	362.518	1.132	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]nc1[C@H]1CCCO1)C2	ZINC001109636541	929987888	/nfs/dbraw/zinc/98/78/88/929987888.db2.gz	KENYLIWVJHGKJY-BSWAZPDLSA-N	1	0	360.458	1.799	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2	ZINC001109646253	930000650	/nfs/dbraw/zinc/00/06/50/930000650.db2.gz	OWYQFBRZJMGNPS-SIXLDLHFSA-N	1	0	374.485	1.367	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCn1cncn1	ZINC001109735368	930277300	/nfs/dbraw/zinc/27/73/00/930277300.db2.gz	DGCRIJUEMKIZFR-GFEQUFNTSA-N	1	0	373.501	1.761	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C)S(=O)(=O)CC)C2	ZINC001109913899	930750664	/nfs/dbraw/zinc/75/06/64/930750664.db2.gz	YGWQXTSSUWZHKU-WCVJEAGWSA-N	1	0	357.520	1.344	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)CC)C2	ZINC001109934027	930800180	/nfs/dbraw/zinc/80/01/80/930800180.db2.gz	KVJMDMSKTAACPF-SQNIBIBYSA-N	1	0	362.518	1.250	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1CCCC)C2	ZINC001109958193	930873389	/nfs/dbraw/zinc/87/33/89/930873389.db2.gz	YNAQZVKKBHBGRY-YDZRNGNQSA-N	1	0	374.529	1.112	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)NCc2ccc(OC)c(OC)c2)CC1	ZINC000772110067	931079663	/nfs/dbraw/zinc/07/96/63/931079663.db2.gz	PRLUMLWXKPFBLJ-UHFFFAOYSA-N	1	0	374.437	1.208	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CN(C(C)=O)CCO1)C2	ZINC001110048954	931258647	/nfs/dbraw/zinc/25/86/47/931258647.db2.gz	GGWHXQFZEZSVFT-YDZRNGNQSA-N	1	0	365.518	1.926	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnn3ccccc13)C2	ZINC001112547215	931445342	/nfs/dbraw/zinc/44/53/42/931445342.db2.gz	CEWZVUPXYYBRDB-UWJYYQICSA-N	1	0	366.465	1.816	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccnc(C)c1)C2	ZINC001112548750	931473233	/nfs/dbraw/zinc/47/32/33/931473233.db2.gz	PFVPHZHSMPHTED-MMOPVJDHSA-N	1	0	370.497	1.913	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)OCC#Cc2ccccc2)CC1=O	ZINC000785648995	931523225	/nfs/dbraw/zinc/52/32/25/931523225.db2.gz	YSXJKEYTNRKAIJ-MOPGFXCFSA-N	1	0	354.450	1.914	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCc2cccc(C#N)c2)CC1=O	ZINC000785652630	931527118	/nfs/dbraw/zinc/52/71/18/931527118.db2.gz	JRUZDEUFXRZYAS-QZTJIDSGSA-N	1	0	355.438	1.934	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)NCC(F)(F)F)C2	ZINC001112553347	931532532	/nfs/dbraw/zinc/53/25/32/931532532.db2.gz	OIQZBVSLYNXRBP-BBRMVZONSA-N	1	0	361.408	1.849	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1oncc1C)C2	ZINC001112556247	931538774	/nfs/dbraw/zinc/53/87/74/931538774.db2.gz	IWSVZWHTUXKZCI-VCBZYWHSSA-N	1	0	360.458	1.506	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)CCOC)C2	ZINC001112555807	931559972	/nfs/dbraw/zinc/55/99/72/931559972.db2.gz	LOEBAESMEQHZEQ-JXFKEZNVSA-N	1	0	363.502	1.017	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CS(=O)(=O)CCCCC)C2	ZINC001112562942	931596774	/nfs/dbraw/zinc/59/67/74/931596774.db2.gz	WZEBZKYZWWHDEW-HKUYNNGSSA-N	1	0	368.543	1.833	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)c1cnc[nH]1)C2	ZINC001112563320	931600017	/nfs/dbraw/zinc/60/00/17/931600017.db2.gz	QNOYPYSDCKFHPT-JXFKEZNVSA-N	1	0	358.486	1.555	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc(OC)c1)C2	ZINC001112568785	931632660	/nfs/dbraw/zinc/63/26/60/931632660.db2.gz	MECCYWXJTFYIQX-UWJYYQICSA-N	1	0	371.481	1.829	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C)ccc1C)C2	ZINC001112569104	931657494	/nfs/dbraw/zinc/65/74/94/931657494.db2.gz	FDNLITBTWFPMHS-AVRDEDQJSA-N	1	0	367.493	1.885	20	30		FDEDRO
C[C@@H](CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1)C(C)(C)C	ZINC001112569588	931661738	/nfs/dbraw/zinc/66/17/38/931661738.db2.gz	FMIMAYYCZVRUQT-FTRWYGJKSA-N	1	0	362.518	1.917	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)C1CCCCC1)C2	ZINC001112573686	931676860	/nfs/dbraw/zinc/67/68/60/931676860.db2.gz	QRUYTURHZCSUHU-RXVVDRJESA-N	1	0	359.514	1.925	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCNC(=O)c1cccs1)C2	ZINC001112576885	931689179	/nfs/dbraw/zinc/68/91/79/931689179.db2.gz	NYXFCXGHSONCIO-KXBFYZLASA-N	1	0	359.495	1.720	20	30		FDEDRO
Cc1ccccc1[C@@H]([C@H](C)NC(=O)C(=O)Nc1cnn(CC#N)c1)[NH+](C)C	ZINC000786025429	931692800	/nfs/dbraw/zinc/69/28/00/931692800.db2.gz	MWUVJYYHIQHKDH-WMLDXEAASA-N	1	0	368.441	1.461	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COc1ccc(C(N)=O)cc1)C2	ZINC001112582214	931748394	/nfs/dbraw/zinc/74/83/94/931748394.db2.gz	MKOISFBPFSOBEJ-UWJYYQICSA-N	1	0	369.465	1.406	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)NC(=O)c1ccco1)C2	ZINC001112582974	931751457	/nfs/dbraw/zinc/75/14/57/931751457.db2.gz	XJUFZKYYKCOEAP-FTRWYGJKSA-N	1	0	357.454	1.640	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#CC)C1	ZINC001112585577	931765962	/nfs/dbraw/zinc/76/59/62/931765962.db2.gz	GMZGLSVJOLIHJU-JXFKEZNVSA-N	1	0	360.502	1.492	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn(C)c(=O)n1C)C2	ZINC001112587043	931784233	/nfs/dbraw/zinc/78/42/33/931784233.db2.gz	CVPOVQZOXZFSLR-GUYCJALGSA-N	1	0	352.866	1.308	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccnc1OCCOC)C2	ZINC001112584755	931786676	/nfs/dbraw/zinc/78/66/76/931786676.db2.gz	IOHDBWMDMQBABY-UWJYYQICSA-N	1	0	371.481	1.962	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nnc(CC)o2)C1	ZINC001112588563	931797604	/nfs/dbraw/zinc/79/76/04/931797604.db2.gz	HUIPJABNEYKYJL-KXBFYZLASA-N	1	0	362.474	1.943	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(C)C)C1	ZINC001112588763	931798518	/nfs/dbraw/zinc/79/85/18/931798518.db2.gz	STFDSPPLCFGPNM-LPHOPBHVSA-N	1	0	351.491	1.322	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCCC2)C1	ZINC001112589115	931801724	/nfs/dbraw/zinc/80/17/24/931801724.db2.gz	LTSOUGJGOQIBNU-ZWOKBUDYSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCNC(=O)[C@@H]1CCCO1)C2	ZINC001112592273	931827732	/nfs/dbraw/zinc/82/77/32/931827732.db2.gz	GUKAWOKMRZHDIK-ZWOKBUDYSA-N	1	0	363.502	1.466	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CC(=O)NC1=O)C2	ZINC001112594145	931866047	/nfs/dbraw/zinc/86/60/47/931866047.db2.gz	NJQFGHFZCGAGHB-IGCXYCKISA-N	1	0	353.850	1.010	20	30		FDEDRO
Cc1cc(C#N)cnc1N(CC[NH3+])S(=O)(=O)c1cccc2cnccc21	ZINC001170074621	932314195	/nfs/dbraw/zinc/31/41/95/932314195.db2.gz	TWCHZRDQLLSVQC-UHFFFAOYSA-N	1	0	367.434	1.964	20	30		FDEDRO
COc1ccc(CNC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1C#N	ZINC000746742209	932628682	/nfs/dbraw/zinc/62/86/82/932628682.db2.gz	RXEBUBOASCAGNY-OAHLLOKOSA-N	1	0	359.474	1.250	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)n1	ZINC000788874374	932845886	/nfs/dbraw/zinc/84/58/86/932845886.db2.gz	LILVMPJUMWXNKP-MSOLQXFVSA-N	1	0	359.474	1.301	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NCCC[NH+]2CCCCC2)n1	ZINC000788857642	932860285	/nfs/dbraw/zinc/86/02/85/932860285.db2.gz	WNYMKWYGRKRVMZ-UHFFFAOYSA-N	1	0	361.490	1.550	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C	ZINC000790975210	933823531	/nfs/dbraw/zinc/82/35/31/933823531.db2.gz	MYLANCWWBGAAQY-KRWDZBQOSA-N	1	0	357.454	1.874	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2CCCNC2=O)C1	ZINC001086596480	933935205	/nfs/dbraw/zinc/93/52/05/933935205.db2.gz	FEFVDBWHKXGPLQ-ZWKOTPCHSA-N	1	0	356.470	1.562	20	30		FDEDRO
C[C@@H]1CCC[C@](CNC(=O)C(=O)NCc2cc(C#N)ccc2F)([NH+](C)C)C1	ZINC000793814415	934290680	/nfs/dbraw/zinc/29/06/80/934290680.db2.gz	RYYAPTOEEOOHIC-VLIAUNLRSA-N	1	0	374.460	1.940	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1c1ccccc1	ZINC001086621042	938369445	/nfs/dbraw/zinc/36/94/45/938369445.db2.gz	ZXEJYBQMVAOPSZ-RBUKOAKNSA-N	1	0	365.433	1.284	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(C(=O)c2ccccc2OCC#N)CC1	ZINC000794344606	938389873	/nfs/dbraw/zinc/38/98/73/938389873.db2.gz	NBAVFQGMYJJQOT-UHFFFAOYSA-N	1	0	352.394	1.955	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCCCF)C[C@@H]2n2ccnn2)nc1	ZINC001129393738	938401336	/nfs/dbraw/zinc/40/13/36/938401336.db2.gz	SDVBPYUCQKQWLS-MSOLQXFVSA-N	1	0	370.432	1.450	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Oc2cccc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129417679	938409868	/nfs/dbraw/zinc/40/98/68/938409868.db2.gz	JMIGZOCXZJWVEK-QRQLOZEOSA-N	1	0	369.469	1.972	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc(C)n(C)c2C)[C@@H](n2ccnn2)C1	ZINC001129422494	938412458	/nfs/dbraw/zinc/41/24/58/938412458.db2.gz	RQEZXWICXAWOCO-MSOLQXFVSA-N	1	0	356.474	1.855	20	30		FDEDRO
C=C[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCC)C[C@@H]1n1ccnn1)c1ccccc1	ZINC001129449776	938420213	/nfs/dbraw/zinc/42/02/13/938420213.db2.gz	YYJFAHDOZMXINF-OTWHNJEPSA-N	1	0	369.469	1.626	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)Cc2ccc(C)cc2)[C@@H](n2ccnn2)C1	ZINC001129471262	938430650	/nfs/dbraw/zinc/43/06/50/938430650.db2.gz	VVBMZGDHFGTCRR-RLLQIKCJSA-N	1	0	365.481	1.830	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CCCCOC)[C@@H](n2ccnn2)C1	ZINC001129656007	938483126	/nfs/dbraw/zinc/48/31/26/938483126.db2.gz	JXHPMTCFKDUHKO-BBWFWOEESA-N	1	0	365.478	1.027	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C)nc2C)[C@@H](n2ccnn2)C1	ZINC001129681299	938484065	/nfs/dbraw/zinc/48/40/65/938484065.db2.gz	NTPPXEUFUWZMGH-MSOLQXFVSA-N	1	0	370.457	1.034	20	30		FDEDRO
Cc1ccccc1OCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1n1ccnn1	ZINC001129690661	938486495	/nfs/dbraw/zinc/48/64/95/938486495.db2.gz	MNFZIJYLWCYKPN-BBWFWOEESA-N	1	0	368.441	1.167	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ncccc2C)C[C@@H]1n1ccnn1	ZINC001129723431	938494179	/nfs/dbraw/zinc/49/41/79/938494179.db2.gz	GGPATSMAAWVIBO-BBWFWOEESA-N	1	0	354.458	1.992	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H]([NH2+]Cc2cncc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129756874	938501658	/nfs/dbraw/zinc/50/16/58/938501658.db2.gz	LITKXZPESYYZMR-MOPGFXCFSA-N	1	0	366.469	1.717	20	30		FDEDRO
CC1(C)C[C@@H]1C(=O)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129756963	938501940	/nfs/dbraw/zinc/50/19/40/938501940.db2.gz	OUDMTBDHHXFPHC-QRVBRYPASA-N	1	0	363.465	1.717	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cccnc2)C[C@@H]1n1ccnn1	ZINC001129741753	938504667	/nfs/dbraw/zinc/50/46/67/938504667.db2.gz	HMMGIGGCRUSNGH-JQHSSLGASA-N	1	0	354.458	1.612	20	30		FDEDRO
Cn1cc([C@@H]2OCCC[C@H]2C(=O)NCC[NH2+]Cc2ccccc2C#N)cn1	ZINC001129791050	938507984	/nfs/dbraw/zinc/50/79/84/938507984.db2.gz	PPHQGISEVPBLGF-MOPGFXCFSA-N	1	0	367.453	1.665	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H]([NH2+]CCCCCCC)[C@@H](n2ccnn2)C1	ZINC001129795184	938508871	/nfs/dbraw/zinc/50/88/71/938508871.db2.gz	CCWABSRLDPAABV-AOIWGVFYSA-N	1	0	363.506	1.917	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cnnc(C)c2)C[C@@H]1n1ccnn1	ZINC001129782400	938515149	/nfs/dbraw/zinc/51/51/49/938515149.db2.gz	JQBNYHPWEMQIEQ-MSOLQXFVSA-N	1	0	369.473	1.778	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1C[C@@H]([NH2+]CC2CCOCC2)[C@@H](n2ccnn2)C1	ZINC001129817299	938521324	/nfs/dbraw/zinc/52/13/24/938521324.db2.gz	VMSBUUSKJVXGAK-SJORKVTESA-N	1	0	359.474	1.096	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H]([NH2+]CCC[C@@H]2CCOC2)[C@@H](n2ccnn2)C1	ZINC001129822207	938521924	/nfs/dbraw/zinc/52/19/24/938521924.db2.gz	KERITMLOQAQIKI-KURKYZTESA-N	1	0	359.474	1.096	20	30		FDEDRO
Cc1cccc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@@H]2n2ccnn2)c1	ZINC001129822396	938522226	/nfs/dbraw/zinc/52/22/26/938522226.db2.gz	UGAPZIYGACFUHN-MOPGFXCFSA-N	1	0	351.454	1.788	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n2ccnn2)C1	ZINC001129825396	938523256	/nfs/dbraw/zinc/52/32/56/938523256.db2.gz	VUGFFOMVWBXRMM-OLZOCXBDSA-N	1	0	357.380	1.622	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2nc(C(C)C)oc2C)C[C@@H]1n1ccnn1	ZINC001129829717	938523795	/nfs/dbraw/zinc/52/37/95/938523795.db2.gz	NFDCDEXTRXQXBG-CABCVRRESA-N	1	0	356.430	1.377	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2sccc2C)C[C@@H]1n1ccnn1	ZINC001129844070	938525076	/nfs/dbraw/zinc/52/50/76/938525076.db2.gz	BBPTXBAMOARTFX-VQHPVUNQSA-N	1	0	369.494	1.817	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnc3n2[C@H](C)CCC3)C[C@@H]1n1ccnn1	ZINC001129864305	938531888	/nfs/dbraw/zinc/53/18/88/938531888.db2.gz	VHJAAVFMYMIVFH-INMHGKMJSA-N	1	0	367.457	1.051	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)C1=O	ZINC001129865224	938532458	/nfs/dbraw/zinc/53/24/58/938532458.db2.gz	GQZZEZAKGIJWBZ-MGPQQGTHSA-N	1	0	361.408	1.848	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H]([NH2+]CCOCC)[C@@H](n2ccnn2)C1)OCC	ZINC001129878760	938536060	/nfs/dbraw/zinc/53/60/60/938536060.db2.gz	DGXDROACFASGHN-IXDOHACOSA-N	1	0	365.478	1.027	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc3c2OCCO3)C[C@@H]1n1ccnn1	ZINC001129878867	938536246	/nfs/dbraw/zinc/53/62/46/938536246.db2.gz	IXQYMJZIHUUAKQ-CVEARBPZSA-N	1	0	369.425	1.281	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H]([NH2+]CCc2ccns2)[C@@H](n2ccnn2)C1	ZINC001129881978	938537964	/nfs/dbraw/zinc/53/79/64/938537964.db2.gz	ZPWOTRCTQYXYSP-CVEARBPZSA-N	1	0	360.487	1.675	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COCc2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001129887726	938540483	/nfs/dbraw/zinc/54/04/83/938540483.db2.gz	NNQWSBINMXWGMY-MOPGFXCFSA-N	1	0	367.453	1.168	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)n(C)n2)C[C@@H]1n1ccnn1	ZINC001129887823	938540629	/nfs/dbraw/zinc/54/06/29/938540629.db2.gz	SLIORGKQRVIMHI-AEFFLSMTSA-N	1	0	369.473	1.511	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(C)=C(C)C2)C[C@@H]1n1ccnn1	ZINC001129871361	938544832	/nfs/dbraw/zinc/54/48/32/938544832.db2.gz	HCMBKMFMIKEYDU-OTWHNJEPSA-N	1	0	371.485	1.406	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)CCCC3)C[C@@H]1n1ccnn1	ZINC001129876136	938546521	/nfs/dbraw/zinc/54/65/21/938546521.db2.gz	CFVJJKUFFCXHHP-WBVHZDCISA-N	1	0	369.473	1.432	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccnn2CC(C)C)C[C@@H]1n1ccnn1	ZINC001129876533	938546971	/nfs/dbraw/zinc/54/69/71/938546971.db2.gz	RSNHZDSXRFVKSX-WBVHZDCISA-N	1	0	357.462	1.362	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccnn2C2CCCC2)C[C@@H]1n1ccnn1	ZINC001129876531	938547049	/nfs/dbraw/zinc/54/70/49/938547049.db2.gz	RKYPFTZETZQSKU-AEFFLSMTSA-N	1	0	369.473	1.821	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2nc(C)sc2C)C[C@@H]1n1ccnn1	ZINC001129905379	938548186	/nfs/dbraw/zinc/54/81/86/938548186.db2.gz	WNZSWHUWDMYDOZ-CABCVRRESA-N	1	0	360.487	1.973	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2(COCC)CC2)C[C@@H]1n1ccnn1	ZINC001129917548	938554442	/nfs/dbraw/zinc/55/44/42/938554442.db2.gz	WCQSMXVTJQZELC-ZACQAIPSSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cnccc2C)C[C@@H]1n1ccnn1	ZINC001129897845	938558583	/nfs/dbraw/zinc/55/85/83/938558583.db2.gz	KAGGBODALJGGHS-QRQLOZEOSA-N	1	0	368.485	1.920	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C/C=C/Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001129898568	938558839	/nfs/dbraw/zinc/55/88/39/938558839.db2.gz	XIWZXHMQVNKFRE-KAGICYHLSA-N	1	0	351.454	1.995	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC/C=C\CC)[C@@H](n2ccnn2)C1	ZINC001129898362	938558929	/nfs/dbraw/zinc/55/89/29/938558929.db2.gz	RRMKKOLUWPHEFS-ITVKQWQRSA-N	1	0	370.501	1.074	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)C2CCOCC2)C[C@@H]1n1ccnn1	ZINC001129932006	938562370	/nfs/dbraw/zinc/56/23/70/938562370.db2.gz	IZPZAZGCQPSRNK-SJORKVTESA-N	1	0	361.490	1.649	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc3c2O[C@H](C)C3)C[C@@H]1n1ccnn1	ZINC001129936530	938563808	/nfs/dbraw/zinc/56/38/08/938563808.db2.gz	CLOHAWZBFMUHGC-OLMNPRSZSA-N	1	0	367.453	1.833	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2c(C)cncc2C)C[C@@H]1n1ccnn1	ZINC001129936808	938564125	/nfs/dbraw/zinc/56/41/25/938564125.db2.gz	QNQHKPNOVVXVFP-SJORKVTESA-N	1	0	370.457	1.148	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)nc2C)C[C@@H]1n1ccnn1	ZINC001129938447	938565143	/nfs/dbraw/zinc/56/51/43/938565143.db2.gz	ZELWJGWYZVEZLY-SJORKVTESA-N	1	0	354.458	1.830	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@]2(C)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001129939741	938565735	/nfs/dbraw/zinc/56/57/35/938565735.db2.gz	UVAVFKSVAYLORI-YOUFYPILSA-N	1	0	363.465	1.621	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2cccc(OCC)n2)C[C@@H]1n1ccnn1	ZINC001129941102	938566462	/nfs/dbraw/zinc/56/64/62/938566462.db2.gz	JTVHOXHIRMKVSB-SJORKVTESA-N	1	0	370.457	1.232	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@@H]1n1ccnn1	ZINC001129919212	938567487	/nfs/dbraw/zinc/56/74/87/938567487.db2.gz	QIQDYCSCGQGWNY-KGLIPLIRSA-N	1	0	354.886	1.102	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2(F)CCCC2)C[C@@H]1n1ccnn1	ZINC001129920851	938568116	/nfs/dbraw/zinc/56/81/16/938568116.db2.gz	BMUNAZPGLHVFRR-CABCVRRESA-N	1	0	351.426	1.105	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(COC)cs2)C[C@@H]1n1ccnn1	ZINC001129925319	938570827	/nfs/dbraw/zinc/57/08/27/938570827.db2.gz	ZYJSFGOXSSYIFR-CABCVRRESA-N	1	0	359.455	1.165	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccnc2C(F)F)C[C@@H]1n1ccnn1	ZINC001129928690	938572001	/nfs/dbraw/zinc/57/20/01/938572001.db2.gz	GOGKNQFXXCLUKB-KGLIPLIRSA-N	1	0	360.368	1.289	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(OC)ccn2)C[C@@H]1n1ccnn1	ZINC001129954438	938576351	/nfs/dbraw/zinc/57/63/51/938576351.db2.gz	NDCZASMUIMBOAD-OLMNPRSZSA-N	1	0	370.457	1.692	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1	ZINC001129959266	938578015	/nfs/dbraw/zinc/57/80/15/938578015.db2.gz	OUAXRNOMZFJNDR-MOPGFXCFSA-N	1	0	366.469	1.799	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2ccc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001129947648	938582256	/nfs/dbraw/zinc/58/22/56/938582256.db2.gz	LCCMMWNCRLMWGC-UXHICEINSA-N	1	0	365.481	1.893	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2cccc(Cl)c2)C[C@@H]1n1ccnn1	ZINC001129947750	938582298	/nfs/dbraw/zinc/58/22/98/938582298.db2.gz	OALKTDOWJBBLLD-MSOLQXFVSA-N	1	0	371.872	1.929	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCCO2)[C@@H](n2ccnn2)C1	ZINC001129972592	938591271	/nfs/dbraw/zinc/59/12/71/938591271.db2.gz	CXQRDCIWXKCZNP-KURKYZTESA-N	1	0	359.474	1.382	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cnn(C)c2)[C@@H](n2ccnn2)C1	ZINC001129977715	938592838	/nfs/dbraw/zinc/59/28/38/938592838.db2.gz	CRYNBFHTOJZFMS-OIISXLGYSA-N	1	0	357.462	1.156	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H]([NH2+]CCOCC(F)F)[C@@H](n2ccnn2)C1	ZINC001129978024	938593473	/nfs/dbraw/zinc/59/34/73/938593473.db2.gz	OFBMGKUKMWVDDC-ZNMIVQPWSA-N	1	0	371.432	1.504	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1	ZINC001086627418	938596563	/nfs/dbraw/zinc/59/65/63/938596563.db2.gz	HVLGQHXWZXRLLT-YESZJQIVSA-N	1	0	355.438	1.200	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H]([NH2+]CCc2cnn(C)c2)[C@@H](n2ccnn2)C1	ZINC001129976066	938600200	/nfs/dbraw/zinc/60/02/00/938600200.db2.gz	DWKLZDACOLKPRK-JQHSSLGASA-N	1	0	371.489	1.198	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]([NH2+]C[C@H](F)CC)[C@@H](n3ccnn3)C2)c1	ZINC001129997282	938605211	/nfs/dbraw/zinc/60/52/11/938605211.db2.gz	HBTPJUCUNMLAPZ-ZACQAIPSSA-N	1	0	356.405	1.058	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2c(C)cccc2C)C[C@@H]1n1ccnn1	ZINC001130014458	938615659	/nfs/dbraw/zinc/61/56/59/938615659.db2.gz	NOIBZYAOHNVGMI-MSOLQXFVSA-N	1	0	369.469	1.753	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)[nH]c2=O)C[C@@H]1n1ccnn1	ZINC001130020481	938619273	/nfs/dbraw/zinc/61/92/73/938619273.db2.gz	ISWUQZDSEQUANL-CVEARBPZSA-N	1	0	356.430	1.309	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H]([NH2+]CCOCC2CC2)[C@@H](n2ccnn2)C1	ZINC001130022768	938621042	/nfs/dbraw/zinc/62/10/42/938621042.db2.gz	KRTQRLXRVKAFSH-SJORKVTESA-N	1	0	361.490	1.649	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H]([NH2+]CCc2cnn(C)c2)[C@@H](n2ccnn2)C1	ZINC001130022855	938621047	/nfs/dbraw/zinc/62/10/47/938621047.db2.gz	PAEJGIVTVBIYDI-SJORKVTESA-N	1	0	371.489	1.198	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cccc(F)c2)C[C@@H]1n1ccnn1	ZINC001130005949	938623321	/nfs/dbraw/zinc/62/33/21/938623321.db2.gz	MVOSUSNKICPJPN-MSOLQXFVSA-N	1	0	369.444	1.760	20	30		FDEDRO
C=CC1(CC(=O)N2C[C@@H]([NH2+]C[C@H](C)O)[C@@H](n3ccnn3)C2)CCCCC1	ZINC001130040894	938627238	/nfs/dbraw/zinc/62/72/38/938627238.db2.gz	RBPAZSSZMGGZIY-BBWFWOEESA-N	1	0	361.490	1.527	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnn(CCC)c2)C[C@@H]1n1ccnn1	ZINC001130024608	938628803	/nfs/dbraw/zinc/62/88/03/938628803.db2.gz	YQQWRTLWGDPQOH-SJORKVTESA-N	1	0	357.462	1.506	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cn2ccnc2C(C)C)C[C@@H]1n1ccnn1	ZINC001130026577	938629426	/nfs/dbraw/zinc/62/94/26/938629426.db2.gz	UZGQYUMTOFBGQC-SJORKVTESA-N	1	0	371.489	1.606	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnn(CCC)c2)C[C@@H]1n1ccnn1	ZINC001130026607	938629437	/nfs/dbraw/zinc/62/94/37/938629437.db2.gz	VVBOITNIMVRJOQ-SJORKVTESA-N	1	0	357.462	1.506	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2csc3cncn32)C[C@@H]1n1ccnn1	ZINC001130026711	938629830	/nfs/dbraw/zinc/62/98/30/938629830.db2.gz	ZVVPOWUNSCEZCE-OLZOCXBDSA-N	1	0	357.443	1.219	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2ccccc2F)C[C@@H]1n1ccnn1	ZINC001130044092	938643342	/nfs/dbraw/zinc/64/33/42/938643342.db2.gz	PQUBNEZPJNAICX-IPELMVKDSA-N	1	0	369.444	1.976	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2ccncn2)C[C@@H]1n1ccnn1	ZINC001130045954	938645311	/nfs/dbraw/zinc/64/53/11/938645311.db2.gz	DWAFNFLKQCQQOQ-SJORKVTESA-N	1	0	355.446	1.470	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ncccc2F)C[C@@H]1n1ccnn1	ZINC001130057199	938647865	/nfs/dbraw/zinc/64/78/65/938647865.db2.gz	OAIPJHRCYGREEU-IMJJTQAJSA-N	1	0	358.421	1.822	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cn(C(C)C)nn2)C[C@@H]1n1ccnn1	ZINC001130062393	938650383	/nfs/dbraw/zinc/65/03/83/938650383.db2.gz	DACYGQPKGAMQMG-ZBFHGGJFSA-N	1	0	358.450	1.072	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C2(CC)CCOCC2)C[C@@H]1n1ccnn1	ZINC001130062656	938650682	/nfs/dbraw/zinc/65/06/82/938650682.db2.gz	PPIHOLDTJWHCGT-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCCOC2)C[C@@H]1n1ccnn1	ZINC001130062807	938651323	/nfs/dbraw/zinc/65/13/23/938651323.db2.gz	YCZNTGSMVBQEKM-KURKYZTESA-N	1	0	361.490	1.793	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccn2C2CCCC2)C[C@@H]1n1ccnn1	ZINC001130065656	938653405	/nfs/dbraw/zinc/65/34/05/938653405.db2.gz	NFBWXXFLAQXYLY-MJGOQNOKSA-N	1	0	366.469	1.873	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)nc2OCC)C[C@@H]1n1ccnn1	ZINC001130067100	938655838	/nfs/dbraw/zinc/65/58/38/938655838.db2.gz	UKJTXHJYFCYYLP-SJORKVTESA-N	1	0	368.441	1.059	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C3CC3)s2)C[C@@H]1n1ccnn1	ZINC001130086222	938667415	/nfs/dbraw/zinc/66/74/15/938667415.db2.gz	QGFBWKCIJOHJCU-CABCVRRESA-N	1	0	355.467	1.896	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2ccccn2)C[C@@H]1n1ccnn1	ZINC001130088863	938675243	/nfs/dbraw/zinc/67/52/43/938675243.db2.gz	MGOVMBKHGDLQKO-BBWFWOEESA-N	1	0	370.457	1.448	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]([NH2+]CC=C(C)C)[C@@H](n2ccnn2)C1	ZINC001130109663	938688462	/nfs/dbraw/zinc/68/84/62/938688462.db2.gz	DRINPYOLOJHRNG-UXHICEINSA-N	1	0	363.465	1.810	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3c(s2)CCCC3)C[C@@H]1n1ccnn1	ZINC001130111272	938690198	/nfs/dbraw/zinc/69/01/98/938690198.db2.gz	AKSBWVHNBWFHTM-CVEARBPZSA-N	1	0	369.494	1.897	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130112501	938691974	/nfs/dbraw/zinc/69/19/74/938691974.db2.gz	CTUFMFZMFVSZIX-UHOSZYNNSA-N	1	0	351.454	1.837	20	30		FDEDRO
C=C[C@H](C)NC(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000805195743	938693312	/nfs/dbraw/zinc/69/33/12/938693312.db2.gz	AOECRWCTLZMULB-GJZGRUSLSA-N	1	0	352.479	1.898	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCOc2ccc(OC)cc2)C[C@@H]1n1ccnn1	ZINC001130125455	938696675	/nfs/dbraw/zinc/69/66/75/938696675.db2.gz	PCYVTVLPPAUVEH-MSOLQXFVSA-N	1	0	371.441	1.283	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc3cnccc32)C[C@@H]1n1ccnn1	ZINC001130125657	938696958	/nfs/dbraw/zinc/69/69/58/938696958.db2.gz	ZCFILZCCKHXZPE-MOPGFXCFSA-N	1	0	360.421	1.505	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(F)c3occc32)C[C@@H]1n1ccnn1	ZINC001130127981	938697954	/nfs/dbraw/zinc/69/79/54/938697954.db2.gz	RHOCXNKOMXBQFY-SJORKVTESA-N	1	0	367.384	1.842	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)n2nc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001130148111	938706667	/nfs/dbraw/zinc/70/66/67/938706667.db2.gz	GORNQHJFAPXXQP-ZACQAIPSSA-N	1	0	357.462	1.270	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130132970	938708088	/nfs/dbraw/zinc/70/80/88/938708088.db2.gz	YPECWZSVCXOFTI-QRQLOZEOSA-N	1	0	351.454	1.522	20	30		FDEDRO
COCCC[NH2+][C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130134129	938708846	/nfs/dbraw/zinc/70/88/46/938708846.db2.gz	UHPNXVSMCIOOKW-MOPGFXCFSA-N	1	0	367.453	1.098	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)c(F)c2)C[C@@H]1n1ccnn1	ZINC001130140014	938712086	/nfs/dbraw/zinc/71/20/86/938712086.db2.gz	MKGMMQQLPQJHPO-AEFFLSMTSA-N	1	0	370.432	1.162	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](OCC)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130148096	938712915	/nfs/dbraw/zinc/71/29/15/938712915.db2.gz	FSJGKMZZOYLZLZ-CEXWTWQISA-N	1	0	369.469	1.974	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]([NH2+]C[C@H](C)O)[C@@H](n3ccnn3)C2)CCCCC1	ZINC001130143442	938714419	/nfs/dbraw/zinc/71/44/19/938714419.db2.gz	UKXVUIJAGCOXBG-BBWFWOEESA-N	1	0	361.490	1.527	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CC2=CCCCC2)[C@@H](n2ccnn2)C1	ZINC001130151377	938715943	/nfs/dbraw/zinc/71/59/43/938715943.db2.gz	OLUMNOOXVGLOCQ-NXHRZFHOSA-N	1	0	359.474	1.711	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cccnc2C)[C@@H](n2ccnn2)C1	ZINC001130151620	938716351	/nfs/dbraw/zinc/71/63/51/938716351.db2.gz	ZVWBFURYIUJZJX-JQHSSLGASA-N	1	0	370.457	1.114	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CN(C)Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130153251	938716908	/nfs/dbraw/zinc/71/69/08/938716908.db2.gz	GDBHUTGPAHLEHJ-MOPGFXCFSA-N	1	0	368.485	1.328	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)CCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130153396	938717152	/nfs/dbraw/zinc/71/71/52/938717152.db2.gz	OHNZZKVQEMHEKH-SXLOBPIMSA-N	1	0	365.481	1.912	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)cccc2F)C[C@@H]1n1ccnn1	ZINC001130155385	938718391	/nfs/dbraw/zinc/71/83/91/938718391.db2.gz	DEDACMSCHRIIHJ-SJORKVTESA-N	1	0	371.416	1.031	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C=Cc2ccco2)n1	ZINC001130177851	938725591	/nfs/dbraw/zinc/72/55/91/938725591.db2.gz	YBPRXDOLHMDDNW-MIVXPEEVSA-N	1	0	369.425	1.213	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H]2C=CCC2)[nH]1	ZINC001130187809	938733921	/nfs/dbraw/zinc/73/39/21/938733921.db2.gz	KMNUBLRBXRPDKH-PMPSAXMXSA-N	1	0	357.458	1.263	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)OCC)n1	ZINC001130187728	938733979	/nfs/dbraw/zinc/73/39/79/938733979.db2.gz	GIDJCWAMZLDMQP-AGIUHOORSA-N	1	0	371.869	1.061	20	30		FDEDRO
C=CCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C[C@@H](F)CC)[nH]1	ZINC001130193133	938737736	/nfs/dbraw/zinc/73/77/36/938737736.db2.gz	KBMRVEJACRVTEN-IHRRRGAJSA-N	1	0	353.442	1.597	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCc2ccoc2)n1	ZINC001130198343	938740074	/nfs/dbraw/zinc/74/00/74/938740074.db2.gz	GYPVHESDKAQNSC-HOTGVXAUSA-N	1	0	371.441	1.132	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(F)=C(C)C)[nH]1	ZINC001130198420	938740233	/nfs/dbraw/zinc/74/02/33/938740233.db2.gz	KFXUCNGKASCPBE-STQMWFEESA-N	1	0	351.426	1.723	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CC(C)C2)n1	ZINC001130198738	938740758	/nfs/dbraw/zinc/74/07/58/938740758.db2.gz	YPIWAAXOOSKJOK-FFKWVLBGSA-N	1	0	367.881	1.682	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)SC)[nH]1	ZINC001130184794	938743875	/nfs/dbraw/zinc/74/38/75/938743875.db2.gz	GMFGYLSHEZJMOJ-IHRRRGAJSA-N	1	0	367.519	1.601	20	30		FDEDRO
CC(C)CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)C#N)[nH]1	ZINC001130203294	938745114	/nfs/dbraw/zinc/74/51/14/938745114.db2.gz	XNBPGUGMBVRIPL-KKUMJFAQSA-N	1	0	362.478	1.479	20	30		FDEDRO
C#CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC=C(C)C)[nH]1	ZINC001130209503	938747619	/nfs/dbraw/zinc/74/76/19/938747619.db2.gz	CYJGEZQWASTZNM-HOTGVXAUSA-N	1	0	359.474	1.653	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](CC)CC(F)F)[nH]1	ZINC001130216130	938752610	/nfs/dbraw/zinc/75/26/10/938752610.db2.gz	NGGBLDUSWDGAHV-AVGNSLFASA-N	1	0	371.432	1.750	20	30		FDEDRO
C=C(C)[C@H](CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC)[nH]1)OCC	ZINC001130220599	938752884	/nfs/dbraw/zinc/75/28/84/938752884.db2.gz	GEYONULQLHISEG-KKUMJFAQSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)CC(F)F)[nH]1	ZINC001130216499	938753003	/nfs/dbraw/zinc/75/30/03/938753003.db2.gz	YYPMNCBKYJPUJG-RYUDHWBXSA-N	1	0	371.432	1.750	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCCCO2)[nH]1	ZINC001130200304	938754021	/nfs/dbraw/zinc/75/40/21/938754021.db2.gz	HBTFANYXFAQVOI-KKUMJFAQSA-N	1	0	363.462	1.028	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(F)CCCC2)[nH]1	ZINC001130220875	938756425	/nfs/dbraw/zinc/75/64/25/938756425.db2.gz	PMLOBLFEQGOMLD-STQMWFEESA-N	1	0	351.426	1.351	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(CC=C)CCC2)[nH]1	ZINC001130239975	938756647	/nfs/dbraw/zinc/75/66/47/938756647.db2.gz	GDHFOUPLEJOMPQ-GJZGRUSLSA-N	1	0	359.474	1.815	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2occ3c2CCC3)[nH]1	ZINC001130224988	938759213	/nfs/dbraw/zinc/75/92/13/938759213.db2.gz	LUZBYOSNRMKXNV-GJZGRUSLSA-N	1	0	371.441	1.465	20	30		FDEDRO
C#CCCCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC#C)n[nH]1	ZINC001130225120	938759540	/nfs/dbraw/zinc/75/95/40/938759540.db2.gz	TXJZXECEIZFAGG-HOTGVXAUSA-N	1	0	357.458	1.100	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C/C=C(/C)C=C)[nH]1	ZINC001130227483	938760987	/nfs/dbraw/zinc/76/09/87/938760987.db2.gz	AIGSEGGLRQNCTK-BKZJWICZSA-N	1	0	357.458	1.429	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](F)CC)[nH]1	ZINC001130227577	938761326	/nfs/dbraw/zinc/76/13/26/938761326.db2.gz	DZXRDLQCVFZCRZ-MJBXVCDLSA-N	1	0	353.442	1.597	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)C(F)(F)F)[nH]1	ZINC001130227784	938761823	/nfs/dbraw/zinc/76/18/23/938761823.db2.gz	OXFAKTHSTPYVNF-DCAQKATOSA-N	1	0	361.368	1.267	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(CCC)CCC)n1	ZINC001130232875	938765111	/nfs/dbraw/zinc/76/51/11/938765111.db2.gz	RKELPEREFBBROW-HOTGVXAUSA-N	1	0	361.490	1.733	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccnc2C)[nH]1	ZINC001130232376	938765221	/nfs/dbraw/zinc/76/52/21/938765221.db2.gz	FPLIZHQNDXFFEM-HOTGVXAUSA-N	1	0	370.457	1.476	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)C2CCCC2)[nH]1	ZINC001130246082	938771517	/nfs/dbraw/zinc/77/15/17/938771517.db2.gz	CYAJTMIZOYHYPG-KBMXLJTQSA-N	1	0	361.490	1.895	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)(CC)CC)n1	ZINC001130251471	938774749	/nfs/dbraw/zinc/77/47/49/938774749.db2.gz	XCQCSIVEKVVRPC-GJZGRUSLSA-N	1	0	361.490	1.733	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](Cc2cccnc2)CC1	ZINC001130280968	938779155	/nfs/dbraw/zinc/77/91/55/938779155.db2.gz	DMYVQTJXWNOMBW-YJLNNSPDSA-N	1	0	369.469	1.217	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](CC)SC)CC1	ZINC001130282677	938780024	/nfs/dbraw/zinc/78/00/24/938780024.db2.gz	YHVFPCHXCPINIT-NUJGCVRESA-N	1	0	365.543	1.627	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCSCC)CC1	ZINC001130274375	938786531	/nfs/dbraw/zinc/78/65/31/938786531.db2.gz	LABMOVYVGLDIDZ-QAPCUYQASA-N	1	0	351.516	1.238	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COCCC)CC1	ZINC001130276845	938788147	/nfs/dbraw/zinc/78/81/47/938788147.db2.gz	RTEVSYWMVQUTMF-APWZRJJASA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CCOC2)CC1	ZINC001130279231	938789281	/nfs/dbraw/zinc/78/92/81/938789281.db2.gz	XAVANNLBYYKBOY-SCTDSRPQSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCOCC)CC1	ZINC001130279167	938789313	/nfs/dbraw/zinc/78/93/13/938789313.db2.gz	UYMMPLIBTBHUHN-XLIONFOSSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCCCOC)CC1	ZINC001130286069	938790956	/nfs/dbraw/zinc/79/09/56/938790956.db2.gz	WECVZSJKWBMRQQ-XLIONFOSSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](OCC)C2CC2)CC1	ZINC001130288058	938792714	/nfs/dbraw/zinc/79/27/14/938792714.db2.gz	IWQPFGSDNXMOAZ-NEWSRXKRSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC(=C)C)CC1	ZINC001130288856	938793924	/nfs/dbraw/zinc/79/39/24/938793924.db2.gz	YICGOXSNBZRFMO-LSTHTHJFSA-N	1	0	363.502	1.365	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC)CC1	ZINC001130292763	938796473	/nfs/dbraw/zinc/79/64/73/938796473.db2.gz	AHDGBESWAUMYDM-KPFFTGBYSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](CCC)OC)CC1	ZINC001130293143	938796726	/nfs/dbraw/zinc/79/67/26/938796726.db2.gz	MYTKIFBPKOKNIB-AOIWGVFYSA-N	1	0	365.518	1.853	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)CC(F)F)CC1	ZINC001130293326	938796949	/nfs/dbraw/zinc/79/69/49/938796949.db2.gz	UONLDCFUSDMKRD-JOQOYGCGSA-N	1	0	369.456	1.776	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC(C)(C)COC)CC1	ZINC001130298949	938799307	/nfs/dbraw/zinc/79/93/07/938799307.db2.gz	OESXTAXSAILRMB-APWZRJJASA-N	1	0	365.518	1.711	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2(C(C)C)CC2)CC1	ZINC001130301691	938800176	/nfs/dbraw/zinc/80/01/76/938800176.db2.gz	ASXPEJKHMOSPGR-MJGOQNOKSA-N	1	0	359.514	1.921	20	30		FDEDRO
C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3cc(C#N)ncn3)cc2)CC1	ZINC001170486015	938806864	/nfs/dbraw/zinc/80/68/64/938806864.db2.gz	AALKYDXLXOJCNW-WLYUNCDWSA-N	1	0	350.426	1.720	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccncc1	ZINC000805811848	938831186	/nfs/dbraw/zinc/83/11/86/938831186.db2.gz	VGXDYWNXBSBDFR-GOSISDBHSA-N	1	0	365.437	1.559	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(=O)[nH]n3)C2)c(F)c1	ZINC001086638193	938866969	/nfs/dbraw/zinc/86/69/69/938866969.db2.gz	QRWLXCZCKQKMBY-DZGCQCFKSA-N	1	0	369.400	1.881	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnsn2)C[C@H]1c1cn(C)cn1	ZINC001130516927	938894326	/nfs/dbraw/zinc/89/43/26/938894326.db2.gz	RVHHNAWZIDAXND-DVOMOZLQSA-N	1	0	360.487	1.824	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2=COCCC2)C[C@H]1c1cn(C)cn1	ZINC001130527700	938899625	/nfs/dbraw/zinc/89/96/25/938899625.db2.gz	HFFGTTURDAGMTH-FUHWJXTLSA-N	1	0	360.458	1.201	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC/C=C\CC)C1	ZINC001130574066	939874390	/nfs/dbraw/zinc/87/43/90/939874390.db2.gz	LURMRUJFMVMIHI-FHFCDOIFSA-N	1	0	360.502	1.988	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC2OCCCO2)C[C@H]1c1cn(C)cn1	ZINC001130576154	939879015	/nfs/dbraw/zinc/87/90/15/939879015.db2.gz	ILUAZFVYJLVPID-DOTOQJQBSA-N	1	0	362.474	1.423	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2nnc(C)o2)C[C@H]1c1cn(C)cn1	ZINC001130576140	939879051	/nfs/dbraw/zinc/87/90/51/939879051.db2.gz	HNQVNUJURKRJQK-GOEBONIOSA-N	1	0	358.446	1.204	20	30		FDEDRO
Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2c2cn(C)cn2)o1	ZINC001130583492	939883595	/nfs/dbraw/zinc/88/35/95/939883595.db2.gz	BZBGYDKZEGVTMB-FUHWJXTLSA-N	1	0	369.469	1.769	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOC2CCC2)C1	ZINC001130583794	939884585	/nfs/dbraw/zinc/88/45/85/939884585.db2.gz	REDHRJJNAUUREB-PKOBYXMFSA-N	1	0	358.486	1.533	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCc2cnn(C)c2)C1	ZINC001130578542	939891191	/nfs/dbraw/zinc/89/11/91/939891191.db2.gz	RUGDCSDDCKHVJG-PKOBYXMFSA-N	1	0	368.485	1.084	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1c1cn(C)cn1	ZINC001130580411	939893031	/nfs/dbraw/zinc/89/30/31/939893031.db2.gz	DSQKJLWYIOGVAD-OFQRWUPVSA-N	1	0	357.462	1.101	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCO[C@H]2C(C)C)C[C@H]1c1cn(C)cn1	ZINC001130593051	939899894	/nfs/dbraw/zinc/89/98/94/939899894.db2.gz	MUNUPARWWAUUDY-XEYPJELSSA-N	1	0	372.513	1.779	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2OCC[C@H]2C(C)C)C[C@H]1c1cn(C)cn1	ZINC001130594432	939901623	/nfs/dbraw/zinc/90/16/23/939901623.db2.gz	HUBHVRDZJMWJRX-DKKFBQAASA-N	1	0	360.502	1.941	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)nnc2C)C[C@H]1c1cn(C)cn1	ZINC001130599578	939904932	/nfs/dbraw/zinc/90/49/32/939904932.db2.gz	VLNBAECOKKGCST-FUHWJXTLSA-N	1	0	352.442	1.048	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)n(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130602686	939914652	/nfs/dbraw/zinc/91/46/52/939914652.db2.gz	NQNWVOCXXHPVHI-MAUKXSAKSA-N	1	0	368.485	1.805	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCn2cncn2)C1	ZINC001130604813	939916048	/nfs/dbraw/zinc/91/60/48/939916048.db2.gz	PEDMVWWSIQYEOZ-DOTOQJQBSA-N	1	0	371.489	1.198	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3nccn32)C[C@H]1c1cn(C)cn1	ZINC001130607510	939918962	/nfs/dbraw/zinc/91/89/62/939918962.db2.gz	FNSWADAINUXUGR-JQHSSLGASA-N	1	0	368.485	1.654	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccnnc2C)C[C@H]1c1cn(C)cn1	ZINC001130623879	939921895	/nfs/dbraw/zinc/92/18/95/939921895.db2.gz	LBPWWXPUCQYEEC-FUHWJXTLSA-N	1	0	354.458	1.683	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2cncnc2)C[C@H]1c1cn(C)cn1	ZINC001130626363	939924092	/nfs/dbraw/zinc/92/40/92/939924092.db2.gz	LBBORGWWPQWABT-FUHWJXTLSA-N	1	0	354.458	1.303	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccn3ccnc3c2)C[C@H]1c1cn(C)cn1	ZINC001130626663	939924265	/nfs/dbraw/zinc/92/42/65/939924265.db2.gz	QSPWTKMRWFBNRL-FUHWJXTLSA-N	1	0	362.437	1.289	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCCO3)C[C@H]1c1cn(C)cn1	ZINC001130626626	939924271	/nfs/dbraw/zinc/92/42/71/939924271.db2.gz	PBLDRWXMKCGPBU-WMLDXEAASA-N	1	0	370.457	1.173	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1c1cn(C)cn1	ZINC001130619404	939930078	/nfs/dbraw/zinc/93/00/78/939930078.db2.gz	PVQWUJJEWPJLGL-FUHWJXTLSA-N	1	0	369.469	1.283	20	30		FDEDRO
CC(C)(C)C(=O)Nc1ccc(/C=N/O)nc1NCCOCCOCC[NH3+]	ZINC001170508515	939932868	/nfs/dbraw/zinc/93/28/68/939932868.db2.gz	RIZYTHULNLRVOO-UDWIEESQSA-N	1	0	367.450	1.278	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOC)C1	ZINC001130638011	939940289	/nfs/dbraw/zinc/94/02/89/939940289.db2.gz	XKSVVLBAWNIJFU-KVSKMBFKSA-N	1	0	364.490	1.179	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1c1cn(C)cn1	ZINC001130649319	939944247	/nfs/dbraw/zinc/94/42/47/939944247.db2.gz	FRIATHHZNRYZRC-UWWQBHOKSA-N	1	0	357.458	1.890	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCc2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130659823	939965855	/nfs/dbraw/zinc/96/58/55/939965855.db2.gz	VRZLRYPIIGQCDX-AZUAARDMSA-N	1	0	350.466	1.960	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ocnc2C(F)F)C[C@H]1c1cn(C)cn1	ZINC001130678325	939968024	/nfs/dbraw/zinc/96/80/24/939968024.db2.gz	UXVAOTVNJULBLY-WCQYABFASA-N	1	0	363.368	1.567	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccnc(OCC)c2)C[C@H]1c1cn(C)cn1	ZINC001130672081	939970959	/nfs/dbraw/zinc/97/09/59/939970959.db2.gz	GAUXRKPXWVCFDK-FUHWJXTLSA-N	1	0	367.453	1.435	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2(CF)CCC2)C[C@H]1c1cn(C)cn1	ZINC001130674838	939972685	/nfs/dbraw/zinc/97/26/85/939972685.db2.gz	FDWZZENCLHCGGV-DOTOQJQBSA-N	1	0	362.449	1.094	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)NC(C)=O)C[C@H]1c1cn(C)cn1	ZINC001130685014	939974495	/nfs/dbraw/zinc/97/44/95/939974495.db2.gz	AEVVNAVREOCCAF-XYJFISCASA-N	1	0	361.490	1.185	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCCOC)C[C@H]1c1cn(C)cn1	ZINC001130685126	939974511	/nfs/dbraw/zinc/97/45/11/939974511.db2.gz	FMIVIEBVWWYREC-SOLBZPMBSA-N	1	0	364.490	1.322	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccnc(N(C)C)c2)C[C@H]1c1cn(C)cn1	ZINC001130685382	939975272	/nfs/dbraw/zinc/97/52/72/939975272.db2.gz	QUMMHMQZMKTPAP-FUHWJXTLSA-N	1	0	366.469	1.102	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2oc(C3CC3)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130690100	939979955	/nfs/dbraw/zinc/97/99/55/939979955.db2.gz	XAUYIQKOVYIJEF-DOTOQJQBSA-N	1	0	367.453	1.815	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn(CCC)c2)C[C@H]1c1cn(C)cn1	ZINC001130682696	939982298	/nfs/dbraw/zinc/98/22/98/939982298.db2.gz	HWVVHNUHXRCMCW-FUHWJXTLSA-N	1	0	356.474	1.801	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cn(CC)nn2)C[C@H]1c1cn(C)cn1	ZINC001130703908	939984270	/nfs/dbraw/zinc/98/42/70/939984270.db2.gz	ALOKBVIJKSHERN-HLLBOEOZSA-N	1	0	371.489	1.584	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2coc(CC3CC3)n2)C[C@H]1c1cn(C)cn1	ZINC001130704174	939984713	/nfs/dbraw/zinc/98/47/13/939984713.db2.gz	HTRZNBWJFDSFTA-DOTOQJQBSA-N	1	0	367.453	1.582	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC23CCCC3)C[C@H]1c1cn(C)cn1	ZINC001130706666	939988635	/nfs/dbraw/zinc/98/86/35/939988635.db2.gz	RRYAABWIXJMUDJ-YQVWRLOYSA-N	1	0	370.497	1.534	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2C(C)(C)C)C[C@H]1c1cn(C)cn1	ZINC001130710478	939998714	/nfs/dbraw/zinc/99/87/14/939998714.db2.gz	YWHHPXLMICOCDE-DOTOQJQBSA-N	1	0	368.485	1.662	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccccc2F)C[C@H]1c1cn(C)cn1	ZINC001130722059	940025973	/nfs/dbraw/zinc/02/59/73/940025973.db2.gz	YKYAKAWWVNLMRF-QFBILLFUSA-N	1	0	354.429	1.709	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC23CCOCC3)C[C@H]1c1cn(C)cn1	ZINC001130744674	940048152	/nfs/dbraw/zinc/04/81/52/940048152.db2.gz	HZYBNWNHDYJLRY-XYJFISCASA-N	1	0	356.470	1.144	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cccc(F)c3)n2)O1	ZINC001130753133	940061825	/nfs/dbraw/zinc/06/18/25/940061825.db2.gz	SFWKMGLQARIYJL-LSDHHAIUSA-N	1	0	359.405	1.870	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCC)n2)O1	ZINC001130754337	940065067	/nfs/dbraw/zinc/06/50/67/940065067.db2.gz	FVWIECNNAPBXCH-UONOGXRCSA-N	1	0	351.451	1.233	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](CC)OC)n2)O1	ZINC001130762202	940070139	/nfs/dbraw/zinc/07/01/39/940070139.db2.gz	OUKYULFMJJCVCW-BFHYXJOUSA-N	1	0	351.451	1.232	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cccn3C)n2)O1	ZINC001130762566	940070921	/nfs/dbraw/zinc/07/09/21/940070921.db2.gz	WYSYUNNBFFSWSC-DZGCQCFKSA-N	1	0	358.446	1.459	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC=CCC3)n2)O1	ZINC001130756629	940079738	/nfs/dbraw/zinc/07/97/38/940079738.db2.gz	RHNWBKSGDYTDHY-HRCADAONSA-N	1	0	357.458	1.610	20	30		FDEDRO
C#CCN(Cc1ccccc1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1	ZINC000806832784	940084791	/nfs/dbraw/zinc/08/47/91/940084791.db2.gz	RXRMPESCTRQBEX-SFHVURJKSA-N	1	0	356.470	1.419	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC(F)(F)F)n2)O1	ZINC001130765607	940096865	/nfs/dbraw/zinc/09/68/65/940096865.db2.gz	ZNNCNSJTHQHNRB-WDEREUQCSA-N	1	0	361.368	1.759	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCCOCC)n2)O1	ZINC001130767423	940100783	/nfs/dbraw/zinc/10/07/83/940100783.db2.gz	IGACONJBQLJFKC-LSDHHAIUSA-N	1	0	365.478	1.623	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc[nH]c3C)n2)O1	ZINC001130772563	940113088	/nfs/dbraw/zinc/11/30/88/940113088.db2.gz	RVRNAXAQOSQQSJ-DZGCQCFKSA-N	1	0	358.446	1.757	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)CSC)n2)O1	ZINC001130772670	940113350	/nfs/dbraw/zinc/11/33/50/940113350.db2.gz	XDWFFNRYJTYLFR-MELADBBJSA-N	1	0	367.519	1.806	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCC)O2)n[nH]1	ZINC001130785493	940119953	/nfs/dbraw/zinc/11/99/53/940119953.db2.gz	QIVNGNFTUPXPSK-SOUVJXGZSA-N	1	0	363.462	1.069	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](OCC)C3CC3)n2)O1	ZINC001130785584	940120840	/nfs/dbraw/zinc/12/08/40/940120840.db2.gz	WDFLMQQVEAAHII-LZWOXQAQSA-N	1	0	363.462	1.232	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C=Cc3ccc[nH]3)n2)O1	ZINC001130776434	940125069	/nfs/dbraw/zinc/12/50/69/940125069.db2.gz	FDXOHZGZBJMGTE-AUPUMLSVSA-N	1	0	370.457	1.848	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCC)O2)n[nH]1	ZINC001130778125	940130936	/nfs/dbraw/zinc/13/09/36/940130936.db2.gz	GTYZWQLYLUUVJS-PMUMKWKESA-N	1	0	365.478	1.358	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC(C)C)O2)n[nH]1	ZINC001130778108	940131054	/nfs/dbraw/zinc/13/10/54/940131054.db2.gz	GHVBMGDVTWJYQU-PMUMKWKESA-N	1	0	365.478	1.214	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3[nH]ccc3C)n2)O1	ZINC001130780995	940135892	/nfs/dbraw/zinc/13/58/92/940135892.db2.gz	JWUUTHHVKUGAKN-UONOGXRCSA-N	1	0	356.430	1.204	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3c[nH]nc3C)n2)O1	ZINC001130794143	940145503	/nfs/dbraw/zinc/14/55/03/940145503.db2.gz	NOXDHAWLUOWQAJ-GXTWGEPZSA-N	1	0	359.434	1.152	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccnnc3C)n2)O1	ZINC001130790008	940161240	/nfs/dbraw/zinc/16/12/40/940161240.db2.gz	CLWGQQLFSQUATG-DZGCQCFKSA-N	1	0	371.445	1.219	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(C)c(C)n3)n2)O1	ZINC001130792508	940171093	/nfs/dbraw/zinc/17/10/93/940171093.db2.gz	IAHYLEJYUJHRMG-GOEBONIOSA-N	1	0	370.457	1.742	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000822900795	945300666	/nfs/dbraw/zinc/30/06/66/945300666.db2.gz	RDTVWJSWZLFBDK-MOPGFXCFSA-N	1	0	370.497	1.481	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(C)(C)C(=C)C)n2)O1	ZINC001130799467	940191970	/nfs/dbraw/zinc/19/19/70/940191970.db2.gz	IGERKDRRANNJML-LSDHHAIUSA-N	1	0	359.474	1.856	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(C)(C)C3CC3)n2)O1	ZINC001130799733	940193932	/nfs/dbraw/zinc/19/39/32/940193932.db2.gz	VNMYQOUINPJPKO-LSDHHAIUSA-N	1	0	359.474	1.690	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@]3(C)CCCOC3)n2)O1	ZINC001130816149	940218390	/nfs/dbraw/zinc/21/83/90/940218390.db2.gz	MOQKYKXVSHUBBX-IYOUNJFTSA-N	1	0	363.462	1.233	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cccc(OC)c3)n2)O1	ZINC001130817561	940222912	/nfs/dbraw/zinc/22/29/12/940222912.db2.gz	SNBUYXVCPWCBOI-JKSUJKDBSA-N	1	0	369.425	1.186	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3scnc3C)C2)C1=O	ZINC001086650194	940303949	/nfs/dbraw/zinc/30/39/49/940303949.db2.gz	LGDNWYZOVLEQFY-ZNMIVQPWSA-N	1	0	362.499	1.727	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC=CCC2)C[C@H]1c1cncn1C	ZINC001130902899	940311859	/nfs/dbraw/zinc/31/18/59/940311859.db2.gz	JGTWOIQFBIWWMW-RCCFBDPRSA-N	1	0	358.486	1.863	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1c1cncn1C	ZINC001130908647	940315434	/nfs/dbraw/zinc/31/54/34/940315434.db2.gz	MKJRWILEIMCPEG-USXIJHARSA-N	1	0	356.474	1.706	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnc(C)cn2)C1	ZINC001130935763	940331962	/nfs/dbraw/zinc/33/19/62/940331962.db2.gz	KHEMSOCAXNDGOE-IAGOWNOFSA-N	1	0	354.458	1.569	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ncoc2C)C[C@H]1c1cncn1C	ZINC001130927443	940336064	/nfs/dbraw/zinc/33/60/64/940336064.db2.gz	RGEZDSKEVUZENG-HUUCEWRRSA-N	1	0	359.430	1.117	20	30		FDEDRO
CC(C)=CC[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1c1cncn1C	ZINC001130961949	940367493	/nfs/dbraw/zinc/36/74/93/940367493.db2.gz	ZPXKALCALWSKIY-NVXWUHKLSA-N	1	0	352.442	1.784	20	30		FDEDRO
CC[C@@H](F)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1c1cncn1C	ZINC001130968720	940376618	/nfs/dbraw/zinc/37/66/18/940376618.db2.gz	HSYNYRVMXUIXEJ-FVQBIDKESA-N	1	0	358.421	1.566	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1c1cncn1C	ZINC001130973193	940384031	/nfs/dbraw/zinc/38/40/31/940384031.db2.gz	UDXBILHIZUITFY-KBAYOESNSA-N	1	0	370.501	1.635	20	30		FDEDRO
C[C@@H]1[C@H](NC(=O)C(=O)Nc2cnn(CC#N)c2)CC[N@@H+]1Cc1ccccc1	ZINC000807544495	940397019	/nfs/dbraw/zinc/39/70/19/940397019.db2.gz	UHKLQHOUZLSIAO-RHSMWYFYSA-N	1	0	366.425	1.124	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC2CCCC2)C1	ZINC001130983495	940398652	/nfs/dbraw/zinc/39/86/52/940398652.db2.gz	UUFFVGDPWHBSTM-MBOZVWFJSA-N	1	0	360.502	1.821	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C/C=C/Cl)C1	ZINC001130988951	940411209	/nfs/dbraw/zinc/41/12/09/940411209.db2.gz	QTHSUYVDHHGGMF-YVSHFGMPSA-N	1	0	350.850	1.095	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCCCF)C1	ZINC001130988923	940411266	/nfs/dbraw/zinc/41/12/66/940411266.db2.gz	PQJAXJKMFWQHNZ-BRWVUGGUSA-N	1	0	364.465	1.482	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cc(F)ccc2N2CCOCC2)CC1	ZINC000747404386	940415761	/nfs/dbraw/zinc/41/57/61/940415761.db2.gz	JLVNAFSDSWQFNL-UHFFFAOYSA-N	1	0	359.445	1.880	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCc2csc(C)n2)C[C@H]1c1cncn1C	ZINC001130994203	940416580	/nfs/dbraw/zinc/41/65/80/940416580.db2.gz	MSLCBHUSKCJCCS-IAGOWNOFSA-N	1	0	371.510	1.725	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnnn2C)C1	ZINC001131003294	940429738	/nfs/dbraw/zinc/42/97/38/940429738.db2.gz	BYGASRSHNZCCQD-HZPDHXFCSA-N	1	0	371.489	1.235	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]cn2)C[C@H]1c1cncn1C	ZINC001131005916	940432022	/nfs/dbraw/zinc/43/20/22/940432022.db2.gz	BVJBBSQOMTVXKG-IAGOWNOFSA-N	1	0	356.474	1.626	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2cnn(C)c2C)C[C@H]1c1cncn1C	ZINC001131006281	940433178	/nfs/dbraw/zinc/43/31/78/940433178.db2.gz	VVLNONXVPQBQST-IAGOWNOFSA-N	1	0	356.474	1.165	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCCn2ccnn2)C[C@H]1c1cncn1C	ZINC001131010583	940441512	/nfs/dbraw/zinc/44/15/12/940441512.db2.gz	SSMHMSPUFGXOPR-IAGOWNOFSA-N	1	0	371.489	1.342	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCC=C)C1	ZINC001131010606	940441567	/nfs/dbraw/zinc/44/15/67/940441567.db2.gz	UQUIDUAAMLWIGH-QRVBRYPASA-N	1	0	369.513	1.368	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCn3nccc32)C[C@H]1c1cncn1C	ZINC001131020029	940452283	/nfs/dbraw/zinc/45/22/83/940452283.db2.gz	JCMMVLLUQSEEQK-BRWVUGGUSA-N	1	0	366.469	1.102	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccccc2COC)C[C@H]1c1cncn1C	ZINC001131022793	940455963	/nfs/dbraw/zinc/45/59/63/940455963.db2.gz	HHWLFIBRMWGUNE-RTBURBONSA-N	1	0	366.465	1.788	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)onc2C2CC2)C[C@H]1c1cncn1C	ZINC001131028899	940463701	/nfs/dbraw/zinc/46/37/01/940463701.db2.gz	OZFAFXAPIAESQB-HZPDHXFCSA-N	1	0	367.453	1.815	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC(C)(C)CO2)C[C@H]1c1cncn1C	ZINC001131029028	940463981	/nfs/dbraw/zinc/46/39/81/940463981.db2.gz	WZEWSOPQINTLHM-BRWVUGGUSA-N	1	0	358.486	1.533	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1c1cncn1C	ZINC001131035512	940464935	/nfs/dbraw/zinc/46/49/35/940464935.db2.gz	DIFNGRZYSXNTRL-IAGOWNOFSA-N	1	0	370.501	1.637	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2ccccn2)C[C@H]1c1cncn1C	ZINC001131040316	940468443	/nfs/dbraw/zinc/46/84/43/940468443.db2.gz	SARBARNLDIZFDW-QZTJIDSGSA-N	1	0	353.470	1.908	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)nc2C)C[C@H]1c1cncn1C	ZINC001131033401	940470178	/nfs/dbraw/zinc/47/01/78/940470178.db2.gz	MNINNKDGXOMDNF-QZTJIDSGSA-N	1	0	365.481	1.961	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cncnc2)C[C@H]1c1cncn1C	ZINC001131051209	940471061	/nfs/dbraw/zinc/47/10/61/940471061.db2.gz	FTKOVYLRFNKQHD-USXIJHARSA-N	1	0	354.458	1.474	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc[nH]c2CCC)C[C@H]1c1cncn1C	ZINC001131051285	940475427	/nfs/dbraw/zinc/47/54/27/940475427.db2.gz	HENHAABLPAIKHS-SJLPKXTDSA-N	1	0	353.470	1.922	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnnn2C)C1	ZINC001131057529	940477701	/nfs/dbraw/zinc/47/77/01/940477701.db2.gz	MELJMXMARLQATK-DJIMGWMZSA-N	1	0	371.489	1.235	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCF)C1	ZINC001131071886	940484902	/nfs/dbraw/zinc/48/49/02/940484902.db2.gz	BCYFPYLPEWHUOT-ANQUJSFKSA-N	1	0	350.438	1.255	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C)C(C)(F)F)C[C@H]1c1cncn1C	ZINC001131072094	940485035	/nfs/dbraw/zinc/48/50/35/940485035.db2.gz	IYRXSFWVPDBCQU-RRFJBIMHSA-N	1	0	370.444	1.798	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2CC(C)C)C[C@H]1c1cncn1C	ZINC001131073511	940485523	/nfs/dbraw/zinc/48/55/23/940485523.db2.gz	FFLDAKNILSZYIS-NCXUSEDFSA-N	1	0	372.513	1.636	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2csc3cncn32)C[C@H]1c1cncn1C	ZINC001131083858	940489073	/nfs/dbraw/zinc/48/90/73/940489073.db2.gz	FNRTVIKXFQRYCR-ZIAGYGMSSA-N	1	0	368.466	1.350	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2cscn2)C[C@H]1c1cncn1C	ZINC001131084305	940489292	/nfs/dbraw/zinc/48/92/92/940489292.db2.gz	QPHBEJSJLDQJII-HZPDHXFCSA-N	1	0	359.499	1.970	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccncc2Cl)C[C@H]1c1cncn1C	ZINC001131073590	940490244	/nfs/dbraw/zinc/49/02/44/940490244.db2.gz	IUFWBAJXZCEECB-NVXWUHKLSA-N	1	0	371.872	1.619	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn(CCC)c2C)C[C@H]1c1cncn1C	ZINC001131098579	940492942	/nfs/dbraw/zinc/49/29/42/940492942.db2.gz	GQPDXKKGNIAIKY-QZTJIDSGSA-N	1	0	368.485	1.556	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]cn2)C[C@H]1c1cncn1C	ZINC001131089471	940494757	/nfs/dbraw/zinc/49/47/57/940494757.db2.gz	IWVWRDTZXLHHDN-DJIMGWMZSA-N	1	0	356.474	1.482	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn(CC(C)C)c2)C[C@H]1c1cncn1C	ZINC001131096939	940497510	/nfs/dbraw/zinc/49/75/10/940497510.db2.gz	RMSRWNSGALDTKS-QZTJIDSGSA-N	1	0	368.485	1.494	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cccn2)C[C@H]1c1cncn1C	ZINC001131103430	940500883	/nfs/dbraw/zinc/50/08/83/940500883.db2.gz	KCWCBKIMRXOTPI-BRWVUGGUSA-N	1	0	356.474	1.728	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3c([nH]2)CCC3)C[C@H]1c1cncn1C	ZINC001131106346	940502087	/nfs/dbraw/zinc/50/20/87/940502087.db2.gz	UZSMDTZRVMSUDW-CRAIPNDOSA-N	1	0	351.454	1.458	20	30		FDEDRO
C[NH+](C)CCN1c2ccccc2C(=NNC2=N[C@H]3CCCC[C@@H]3N2)C1=O	ZINC000807979075	940503963	/nfs/dbraw/zinc/50/39/63/940503963.db2.gz	MCSFQLBFLMPJJM-GJZGRUSLSA-N	1	0	354.458	1.159	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2cncn2C)C[C@H]1c1cncn1C	ZINC001131117580	940504318	/nfs/dbraw/zinc/50/43/18/940504318.db2.gz	FSBABOCHKHZPSY-IAGOWNOFSA-N	1	0	356.474	1.247	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COc2ccc(F)cc2)C[C@H]1c1cncn1C	ZINC001131121520	940506670	/nfs/dbraw/zinc/50/66/70/940506670.db2.gz	XPLUOFSEJKGTOF-QZTJIDSGSA-N	1	0	370.428	1.546	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3cccnc3C2)C[C@H]1c1cncn1C	ZINC001131115245	940508579	/nfs/dbraw/zinc/50/85/79/940508579.db2.gz	GGYQJIMJMKYDKB-YQVWRLOYSA-N	1	0	363.465	1.137	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cnn(C)c2)C[C@H]1c1cncn1C	ZINC001131138632	940509554	/nfs/dbraw/zinc/50/95/54/940509554.db2.gz	MFMMZCIPMFSJDT-CGTJXYLNSA-N	1	0	370.501	1.808	20	30		FDEDRO
COc1ccc(CNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1C#N	ZINC000747446956	940510902	/nfs/dbraw/zinc/51/09/02/940510902.db2.gz	OFACAKXILYCMEV-OAQYLSRUSA-N	1	0	365.433	1.820	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC[C@@H](C)F)C1	ZINC001131132187	940512262	/nfs/dbraw/zinc/51/22/62/940512262.db2.gz	BNLBLYCIVVIWMJ-BZUAXINKSA-N	1	0	352.454	1.645	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C2(CC#C)CCCCC2)C[C@H]1c1cncn1C	ZINC001131132762	940512555	/nfs/dbraw/zinc/51/25/55/940512555.db2.gz	PZMBCZGVGLZOQH-QZTJIDSGSA-N	1	0	352.482	1.911	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)C(N)=O)C[C@H]1c1cncn1C	ZINC001131136614	940513569	/nfs/dbraw/zinc/51/35/69/940513569.db2.gz	WALYSYSQPRVIDF-ARFHVFGLSA-N	1	0	361.490	1.028	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cccnc2)C1	ZINC001131136540	940513627	/nfs/dbraw/zinc/51/36/27/940513627.db2.gz	RTXSBIOEHHMVHU-CGTJXYLNSA-N	1	0	369.469	1.490	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCC(=O)N3)C2)cc1F	ZINC001086660369	940522846	/nfs/dbraw/zinc/52/28/46/940522846.db2.gz	MLWFSCYURKZGIM-XGWLTEMNSA-N	1	0	358.417	1.350	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cn(C)nc3C)C2)C1=O	ZINC001086661200	940533502	/nfs/dbraw/zinc/53/35/02/940533502.db2.gz	DQSHAEMKIFWSHO-UXLLHSPISA-N	1	0	359.474	1.004	20	30		FDEDRO
C#CCCS(=O)(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1	ZINC000808304785	940539459	/nfs/dbraw/zinc/53/94/59/940539459.db2.gz	XNWKHEJRRDBRQR-UHFFFAOYSA-N	1	0	361.511	1.661	20	30		FDEDRO
CN1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)C1	ZINC001086664292	940545972	/nfs/dbraw/zinc/54/59/72/940545972.db2.gz	HLPNLKCHNDUDCS-OTWHNJEPSA-N	1	0	356.470	1.263	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cncnc2)C1	ZINC001131303884	940547724	/nfs/dbraw/zinc/54/77/24/940547724.db2.gz	GVPMEUPZJTUVPN-BBWFWOEESA-N	1	0	371.441	1.162	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCC=C)C[C@H]32)C1	ZINC001131322884	940551841	/nfs/dbraw/zinc/55/18/41/940551841.db2.gz	FZORNEUCMSBPDF-BBWFWOEESA-N	1	0	363.458	1.261	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CC4CC4)C[C@H]32)C1	ZINC001131323278	940551949	/nfs/dbraw/zinc/55/19/49/940551949.db2.gz	WSEPEAKEYSMDKN-ZACQAIPSSA-N	1	0	363.458	1.095	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3oc(C)nc3C)C2)C1=O	ZINC001086664852	940552005	/nfs/dbraw/zinc/55/20/05/940552005.db2.gz	GUIHTPLRDNICOH-ARFHVFGLSA-N	1	0	360.458	1.566	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C2(CF)CC2)C1	ZINC001131313124	940552721	/nfs/dbraw/zinc/55/27/21/940552721.db2.gz	HYGMTTJPVXAUQU-OAGGEKHMSA-N	1	0	365.449	1.808	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1	ZINC001131383648	940559440	/nfs/dbraw/zinc/55/94/40/940559440.db2.gz	STINIWYOOLKWNC-TVFCKZIOSA-N	1	0	363.502	1.559	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2CCOCC2)CC1	ZINC001131403942	940564424	/nfs/dbraw/zinc/56/44/24/940564424.db2.gz	DVYSLANPUJZFHK-MOPGFXCFSA-N	1	0	364.486	1.049	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)C(C)=O)CC1	ZINC001131429395	940567286	/nfs/dbraw/zinc/56/72/86/940567286.db2.gz	BZXFHNFMOIHNIC-ZTNFWEORSA-N	1	0	365.518	1.805	20	30		FDEDRO
C=CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCc2ccnn2C)CC1	ZINC001131448960	940602857	/nfs/dbraw/zinc/60/28/57/940602857.db2.gz	ZEEGBMUTRWSGDG-QUCCMNQESA-N	1	0	360.502	1.915	20	30		FDEDRO
CCN(CC)C(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)C#N)CC1	ZINC001131451259	940604600	/nfs/dbraw/zinc/60/46/00/940604600.db2.gz	ISTIWGGKJOSJEG-KYJSFNMBSA-N	1	0	364.490	1.000	20	30		FDEDRO
C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H]2CCCOC2)CC1	ZINC001131454245	940608264	/nfs/dbraw/zinc/60/82/64/940608264.db2.gz	RZGJPJXVYJPMKI-POAQFYNOSA-N	1	0	366.502	1.601	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2COCCN2C)CC1	ZINC001131470527	940626080	/nfs/dbraw/zinc/62/60/80/940626080.db2.gz	GYOKSSBVJWQMIY-QRVBRYPASA-N	1	0	365.518	1.269	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2ccnn2C)CC1	ZINC001131479986	940636307	/nfs/dbraw/zinc/63/63/07/940636307.db2.gz	AJXQJGUPRKRHJU-QUCCMNQESA-N	1	0	360.502	1.915	20	30		FDEDRO
CO[C@@H](C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1	ZINC001131480634	940636925	/nfs/dbraw/zinc/63/69/25/940636925.db2.gz	PMPCGWWFOZYRMX-VHSSKADRSA-N	1	0	360.458	1.521	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnnn2CC)CC1	ZINC001131491043	940641212	/nfs/dbraw/zinc/64/12/12/940641212.db2.gz	OBFKWCWHLYJHLR-AEFFLSMTSA-N	1	0	361.490	1.864	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCc3n[nH]cc32)CC1	ZINC001131495763	940647230	/nfs/dbraw/zinc/64/72/30/940647230.db2.gz	DCRIGYIZMNAFOG-DBVUQKKJSA-N	1	0	370.497	1.839	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2ccn(CC)n2)CC1	ZINC001131502949	940653166	/nfs/dbraw/zinc/65/31/66/940653166.db2.gz	OLZJSCXRJFXVLR-QUCCMNQESA-N	1	0	358.486	1.455	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn3ncccc23)CC1	ZINC001131515403	940680265	/nfs/dbraw/zinc/68/02/65/940680265.db2.gz	IEBLODGSHNQXDQ-MJGOQNOKSA-N	1	0	367.453	1.352	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H]2CCNC2=O)CC1	ZINC001131511960	940693719	/nfs/dbraw/zinc/69/37/19/940693719.db2.gz	FTJMXLPQIVQWOS-SCTDSRPQSA-N	1	0	363.502	1.465	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn(C)ccc2=O)CC1	ZINC001131527843	940697146	/nfs/dbraw/zinc/69/71/46/940697146.db2.gz	BDYJZKPHRVMIHA-MJGOQNOKSA-N	1	0	357.454	1.008	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(C(N)=O)o2)CC1	ZINC001131528533	940698498	/nfs/dbraw/zinc/69/84/98/940698498.db2.gz	XUARBGRPQVEGPT-PBHICJAKSA-N	1	0	361.442	1.554	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCn3cncc3C2)CC1	ZINC001131522645	940706001	/nfs/dbraw/zinc/70/60/01/940706001.db2.gz	REMDTXRRJSZPBC-SXLOBPIMSA-N	1	0	370.497	1.455	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnc3n[nH]cc3c2)CC1	ZINC001131522538	940706085	/nfs/dbraw/zinc/70/60/85/940706085.db2.gz	MLMJAWRYIAPMFB-MSOLQXFVSA-N	1	0	367.453	1.581	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCOC[C@@H]2CCCO2)CC1	ZINC001131522749	940706384	/nfs/dbraw/zinc/70/63/84/940706384.db2.gz	XBVMYHHAVXUJKE-NSHGMRRFSA-N	1	0	364.486	1.191	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(=O)n(C)c2)CC1	ZINC001131526405	940711406	/nfs/dbraw/zinc/71/14/06/940711406.db2.gz	QTWLWEGKYOMLHP-MJGOQNOKSA-N	1	0	359.470	1.561	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](F)C(C)C)CC1	ZINC001131543988	940720026	/nfs/dbraw/zinc/72/00/26/940720026.db2.gz	YJEFBTURWGCGJR-NJAFHUGGSA-N	1	0	369.481	1.268	20	30		FDEDRO
CC#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](CC)C(N)=O)CC1	ZINC001131546246	940722270	/nfs/dbraw/zinc/72/22/70/940722270.db2.gz	SCNJSUMVXJJCNK-LMMKCTJWSA-N	1	0	363.502	1.430	20	30		FDEDRO
C=CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H](O)COC)CC1	ZINC001131555824	940731109	/nfs/dbraw/zinc/73/11/09/940731109.db2.gz	YXDNZTVXZNCKQO-LMMKCTJWSA-N	1	0	354.491	1.336	20	30		FDEDRO
C=CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(=O)NC)CC1	ZINC001131558106	940732555	/nfs/dbraw/zinc/73/25/55/940732555.db2.gz	HPHGQPSHKDLJRQ-KYJSFNMBSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@]2(F)CCOC2)CC1	ZINC001131548084	940737149	/nfs/dbraw/zinc/73/71/49/940737149.db2.gz	LYUYERNLHFSFHY-AOIWGVFYSA-N	1	0	370.465	1.303	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N(C)C)CC1	ZINC001131549997	940738660	/nfs/dbraw/zinc/73/86/60/940738660.db2.gz	JMPZYDVOGWQIQF-MDYRTPRTSA-N	1	0	365.518	1.663	20	30		FDEDRO
CC[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2NCC#N)CC1)[NH+](CC)CC	ZINC001131564695	940741022	/nfs/dbraw/zinc/74/10/22/940741022.db2.gz	QWBGGXLESDJBRQ-KURKYZTESA-N	1	0	350.507	1.616	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2nccn3ccnc23)CC1	ZINC001131567656	940743306	/nfs/dbraw/zinc/74/33/06/940743306.db2.gz	MQCFSYKINXYZBL-AEFFLSMTSA-N	1	0	369.469	1.905	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H](C)n2ccnc2)CC1	ZINC001131572971	940749006	/nfs/dbraw/zinc/74/90/06/940749006.db2.gz	PNMBWVVRNDIOCB-HQRMLTQVSA-N	1	0	358.486	1.843	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(COC)on2)CC1	ZINC001131574791	940751656	/nfs/dbraw/zinc/75/16/56/940751656.db2.gz	JSBCBMGDBJXUHY-AEFFLSMTSA-N	1	0	361.442	1.444	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COC2CCOCC2)CC1	ZINC001131574988	940751983	/nfs/dbraw/zinc/75/19/83/940751983.db2.gz	NVVNTWZTDNTFNG-QUCCMNQESA-N	1	0	364.486	1.191	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cncc(OC)n2)CC1	ZINC001131575180	940752096	/nfs/dbraw/zinc/75/20/96/940752096.db2.gz	SQFBEXVDLHNUKP-QAPCUYQASA-N	1	0	358.442	1.108	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2nonc2C)CC1	ZINC001131585274	940770721	/nfs/dbraw/zinc/77/07/21/940770721.db2.gz	QHYFENNRUMFESR-APWZRJJASA-N	1	0	362.474	1.872	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+][C@H](C)COC)CC2)cn1	ZINC001131596907	940780358	/nfs/dbraw/zinc/78/03/58/940780358.db2.gz	ALQMZIRZQIJKET-YSGRDPCXSA-N	1	0	371.481	1.697	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn(C)c2OC)CC1	ZINC001131599807	940783579	/nfs/dbraw/zinc/78/35/79/940783579.db2.gz	MRECBOIWTFSKCD-SJORKVTESA-N	1	0	360.458	1.051	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCN2C(C)=O)CC1	ZINC001131609051	940789211	/nfs/dbraw/zinc/78/92/11/940789211.db2.gz	XYDVGHOFFWISAF-QRVBRYPASA-N	1	0	363.502	1.559	20	30		FDEDRO
O=C(NCC[NH2+]CC#Cc1cccc(Cl)c1)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC001131641035	940808553	/nfs/dbraw/zinc/80/85/53/940808553.db2.gz	GFDVUOCMIHFTEY-RYQLBKOJSA-N	1	0	362.857	1.449	20	30		FDEDRO
C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O	ZINC001090501861	940822460	/nfs/dbraw/zinc/82/24/60/940822460.db2.gz	FYZIQIXEXYRHFP-QZTJIDSGSA-N	1	0	371.485	1.272	20	30		FDEDRO
C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O	ZINC001090502367	940841960	/nfs/dbraw/zinc/84/19/60/940841960.db2.gz	ONIAVGTTXDNWMB-IAGOWNOFSA-N	1	0	371.485	1.272	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)C[C@H]1C	ZINC000809503997	940846118	/nfs/dbraw/zinc/84/61/18/940846118.db2.gz	CUGSKNNUSBGMCW-PBHICJAKSA-N	1	0	372.469	1.514	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)cc1C#N	ZINC000809503950	940846247	/nfs/dbraw/zinc/84/62/47/940846247.db2.gz	MULONYHHJORMMH-UHFFFAOYSA-N	1	0	358.442	1.126	20	30		FDEDRO
C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCc1cc(C#N)ccc1F	ZINC000809867300	940913357	/nfs/dbraw/zinc/91/33/57/940913357.db2.gz	PFFPRQBQZJJTOS-INIZCTEOSA-N	1	0	360.433	1.550	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)N(CC)CC)CC1	ZINC000747626540	941046132	/nfs/dbraw/zinc/04/61/32/941046132.db2.gz	ZTXZYCASVIKOSI-HXUWFJFHSA-N	1	0	369.509	1.928	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cnnn3C)C2)cc1C#N	ZINC001086686791	941074898	/nfs/dbraw/zinc/07/48/98/941074898.db2.gz	IBMVFFFTXJVELW-GOEBONIOSA-N	1	0	368.441	1.384	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cnnn2C)C1	ZINC001086687078	941075400	/nfs/dbraw/zinc/07/54/00/941075400.db2.gz	XYRNEUMFXZNKTH-GOEBONIOSA-N	1	0	368.441	1.384	20	30		FDEDRO
Cc1cc(N2C[C@@H](O)[C@H](NC(=O)CC3([NH+](C)C)CCCC3)C2)c(C#N)cn1	ZINC001090504760	941090889	/nfs/dbraw/zinc/09/08/89/941090889.db2.gz	ALUOBCFUXPXOJI-SJLPKXTDSA-N	1	0	371.485	1.192	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cn4c(n3)CCC4)C2)C1=O	ZINC001086699883	941176266	/nfs/dbraw/zinc/17/62/66/941176266.db2.gz	LCUXBRYEHNRZGQ-XHSDSOJGSA-N	1	0	371.485	1.104	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](CCO)CC[C@H]2CCOC2)CC1	ZINC001098482663	941183537	/nfs/dbraw/zinc/18/35/37/941183537.db2.gz	UUBNNKWAYMENGJ-UHOSZYNNSA-N	1	0	366.502	1.289	20	30		FDEDRO
CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N	ZINC000812196431	941186827	/nfs/dbraw/zinc/18/68/27/941186827.db2.gz	QARYPMRUJDBCPH-RRFJBIMHSA-N	1	0	367.494	1.773	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000813837774	941484267	/nfs/dbraw/zinc/48/42/67/941484267.db2.gz	WFJREJNVXUAZCJ-INIZCTEOSA-N	1	0	366.506	1.258	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]Cc1cc(=O)[nH]c(-c2ccccc2)n1	ZINC001134052918	941539569	/nfs/dbraw/zinc/53/95/69/941539569.db2.gz	GBGLARLWRVXWNZ-SJORKVTESA-N	1	0	368.437	1.646	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCc1ccc(Cl)s1	ZINC001134062060	941540870	/nfs/dbraw/zinc/54/08/70/941540870.db2.gz	POHGPWWWBAOEQW-OLZOCXBDSA-N	1	0	371.890	1.315	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)N1CCc2ccccc21	ZINC001134061963	941540937	/nfs/dbraw/zinc/54/09/37/941540937.db2.gz	LOKMXTNQHSRMEM-KYJSFNMBSA-N	1	0	357.454	1.261	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@H]1CC[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)C1	ZINC001086717966	941567067	/nfs/dbraw/zinc/56/70/67/941567067.db2.gz	ZPLBVYLDANLJGM-GVDBMIGSSA-N	1	0	358.486	1.783	20	30		FDEDRO
CCNc1nc(N=NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)nc(NCC)n1	ZINC000814726186	941709575	/nfs/dbraw/zinc/70/95/75/941709575.db2.gz	ZMLIMFVQDOYVRD-OKILXGFUSA-N	1	0	362.482	1.776	20	30		FDEDRO
C#CC[N@@H+](C)CCCNc1c(C(=O)OC)cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000814930160	941740614	/nfs/dbraw/zinc/74/06/14/941740614.db2.gz	ZROPCEWALSAWHX-UHFFFAOYSA-N	1	0	350.331	1.657	20	30		FDEDRO
C#CCNC(=O)CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2	ZINC000815071325	941773357	/nfs/dbraw/zinc/77/33/57/941773357.db2.gz	HWWHRCUGOQQERI-QGZVFWFLSA-N	1	0	355.438	1.554	20	30		FDEDRO
C#CCNC(=O)CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1	ZINC000815073380	941773759	/nfs/dbraw/zinc/77/37/59/941773759.db2.gz	KWZFMSIYOSYCAE-MRXNPFEDSA-N	1	0	353.422	1.767	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(C)c(Br)c1	ZINC000815082492	941776889	/nfs/dbraw/zinc/77/68/89/941776889.db2.gz	UUQSDWRBHSLNST-UHFFFAOYSA-N	1	0	359.289	1.991	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN([C@H]2CC[N@H+](CCOCCC#N)C2)CC1	ZINC000815118024	941780532	/nfs/dbraw/zinc/78/05/32/941780532.db2.gz	WURFMZCVJLBQOH-INIZCTEOSA-N	1	0	352.479	1.544	20	30		FDEDRO
C#CCNC(=O)CC[N@H+](Cc1ccccc1)C[C@H](O)c1cnn(CC)c1	ZINC000815100303	941783802	/nfs/dbraw/zinc/78/38/02/941783802.db2.gz	DPWBVOFJNYKGPH-IBGZPJMESA-N	1	0	354.454	1.578	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1CN(CC(=O)N(CC(C)C)C(C)C)C[C@H]1O	ZINC001195306656	970837633	/nfs/dbraw/zinc/83/76/33/970837633.db2.gz	CVZDJXOJOPZEMK-HZPDHXFCSA-N	1	0	353.507	1.253	20	30		FDEDRO
C#CCCCCCC(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1O	ZINC001195307030	970839731	/nfs/dbraw/zinc/83/97/31/970839731.db2.gz	KRJOXXIDJHAWOY-HUUCEWRRSA-N	1	0	364.408	1.700	20	30		FDEDRO
CCc1ccc(C#CC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1	ZINC000815243219	941814874	/nfs/dbraw/zinc/81/48/74/941814874.db2.gz	CPIUZVJRQNUSCF-LJQANCHMSA-N	1	0	355.482	1.659	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CCOCc2ccc(OC)cc2)C[C@H]1O	ZINC001195312519	970845122	/nfs/dbraw/zinc/84/51/22/970845122.db2.gz	OXUOEWQZNBTRIA-QZTJIDSGSA-N	1	0	362.470	1.585	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N(C(C)C)C(C)C	ZINC001135058375	941874017	/nfs/dbraw/zinc/87/40/17/941874017.db2.gz	NQPXYTKFDGRGFK-WMZOPIPTSA-N	1	0	353.507	1.709	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)N1CCCCCC1	ZINC001135067562	941883415	/nfs/dbraw/zinc/88/34/15/941883415.db2.gz	AOSUNUPMDSIIJJ-BZSNNMDCSA-N	1	0	365.518	1.855	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cnc[nH]c3=O)C2)s1	ZINC001086728250	941891032	/nfs/dbraw/zinc/89/10/32/941891032.db2.gz	UMNRWQBIXYWYFY-NWDGAFQWSA-N	1	0	357.439	1.804	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CCCCCS(=O)(=O)CC	ZINC001135142425	941927704	/nfs/dbraw/zinc/92/77/04/941927704.db2.gz	UMCPJGWDHPMRBC-HOTGVXAUSA-N	1	0	360.520	1.278	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)Nc1ccccc1F	ZINC001135145258	941929215	/nfs/dbraw/zinc/92/92/15/941929215.db2.gz	FDRYTLHDCVHZGJ-ZQIUZPCESA-N	1	0	363.433	1.840	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccc(Cl)cc1	ZINC001135145831	941929603	/nfs/dbraw/zinc/92/96/03/941929603.db2.gz	VOYYZYGSHHYCGC-RDJZCZTQSA-N	1	0	365.861	1.966	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC1CCCCC1	ZINC001135145719	941929773	/nfs/dbraw/zinc/92/97/73/941929773.db2.gz	QPXOEQBWYWANKH-PVAVHDDUSA-N	1	0	351.491	1.511	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCc1sccc1C	ZINC001135147157	941942182	/nfs/dbraw/zinc/94/21/82/941942182.db2.gz	BLDPAEBIJQIAQY-YOEHRIQHSA-N	1	0	365.499	1.360	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1nn(C2CCCCC2)cc1C	ZINC000815860415	941996396	/nfs/dbraw/zinc/99/63/96/941996396.db2.gz	KOMGEMSUXYAUTD-UHFFFAOYSA-N	1	0	359.474	1.707	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)N1C[C@H]2CCCN2c2ccccc21	ZINC000815861623	941996926	/nfs/dbraw/zinc/99/69/26/941996926.db2.gz	QVQMPLWBRRMKOA-MRXNPFEDSA-N	1	0	354.454	1.073	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000815860925	941997493	/nfs/dbraw/zinc/99/74/93/941997493.db2.gz	IMQXUHNKBROGHP-UHFFFAOYSA-N	1	0	374.444	1.491	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCC(=O)NC3)C2)s1	ZINC001086741315	942185236	/nfs/dbraw/zinc/18/52/36/942185236.db2.gz	MVPHXLKEYRIBQM-BFHYXJOUSA-N	1	0	360.483	1.520	20	30		FDEDRO
C[C@H](C#N)C[N@H+](C)C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1	ZINC000816492949	942223136	/nfs/dbraw/zinc/22/31/36/942223136.db2.gz	KAMGDJDHAXGTTL-HUUCEWRRSA-N	1	0	352.479	1.841	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cn(CC)nn3)C2)cc1	ZINC001086773962	942462629	/nfs/dbraw/zinc/46/26/29/942462629.db2.gz	OIGCGQJWLRTJAS-FUHWJXTLSA-N	1	0	351.454	1.968	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H]3CCN(CC=C)C3=O)C2)cc1	ZINC001086774010	942463075	/nfs/dbraw/zinc/46/30/75/942463075.db2.gz	PZFUVNXJWDMHTJ-DFQSSKMNSA-N	1	0	365.477	1.943	20	30		FDEDRO
Cn1c(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(F)ccc3C#N)C2)c[nH]c1=O	ZINC001086777078	942475553	/nfs/dbraw/zinc/47/55/53/942475553.db2.gz	ANDGVVKGULVNFF-BLLLJJGKSA-N	1	0	371.416	1.825	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3csc(C)n3)C2)C1=O	ZINC001086785658	942506796	/nfs/dbraw/zinc/50/67/96/942506796.db2.gz	LLHRMUJYFCXBAN-RRFJBIMHSA-N	1	0	362.499	1.727	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=O)N(C)CC	ZINC001170854316	942507115	/nfs/dbraw/zinc/50/71/15/942507115.db2.gz	YMOMNYDWHHPDIF-ZACQAIPSSA-N	1	0	353.507	1.711	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(C(=O)c3cc(C)cc(C#N)c3)CC[C@@H]2C1	ZINC001195411272	970914247	/nfs/dbraw/zinc/91/42/47/970914247.db2.gz	HADXSZCBDUWGHI-IEBWSBKVSA-N	1	0	357.454	1.676	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@H+]2C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]2C)CC1	ZINC000817279676	942655564	/nfs/dbraw/zinc/65/55/64/942655564.db2.gz	SHJFIWXWGWNCJE-IRXDYDNUSA-N	1	0	363.502	1.206	20	30		FDEDRO
CN(C[C@H]1CCC[N@@H+]1C)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O	ZINC000817373468	942727140	/nfs/dbraw/zinc/72/71/40/942727140.db2.gz	OBGXZXOOOHSKAD-VQIMIIECSA-N	1	0	355.442	1.309	20	30		FDEDRO
CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cn(CC)c(=O)c2cc(C#N)sc21	ZINC001170875276	942893356	/nfs/dbraw/zinc/89/33/56/942893356.db2.gz	RUCFXFYRAAQJPI-CHWSQXEVSA-N	1	0	360.439	1.518	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1	ZINC000817843925	943007692	/nfs/dbraw/zinc/00/76/92/943007692.db2.gz	LRMPCSNEZNTGKQ-ICSRJNTNSA-N	1	0	365.477	1.759	20	30		FDEDRO
C=CCNC(=O)c1ccccc1NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1	ZINC000817907800	943073105	/nfs/dbraw/zinc/07/31/05/943073105.db2.gz	WRQOGARBOYVJSM-OAHLLOKOSA-N	1	0	353.426	1.976	20	30		FDEDRO
C=CCCN(OCc1ccccc1)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1	ZINC000817985369	943118641	/nfs/dbraw/zinc/11/86/41/943118641.db2.gz	JIWSFRJOKATRFQ-HXUWFJFHSA-N	1	0	357.454	1.735	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1F	ZINC000818009722	943145124	/nfs/dbraw/zinc/14/51/24/943145124.db2.gz	ZFJFOLCAYKTCBV-JSGCOSHPSA-N	1	0	369.462	1.347	20	30		FDEDRO
C=CCNC(=O)c1ccccc1NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1	ZINC000818046614	943165346	/nfs/dbraw/zinc/16/53/46/943165346.db2.gz	AQJNZZGLKQVZJB-CYBMUJFWSA-N	1	0	354.414	1.371	20	30		FDEDRO
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]([NH3+])CCCC#N	ZINC000818214981	943199106	/nfs/dbraw/zinc/19/91/06/943199106.db2.gz	SWEOFRMBZVHICJ-ZDUSSCGKSA-N	1	0	353.806	1.568	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2[NH2+]CC2(C)C)c1	ZINC000818498755	943256266	/nfs/dbraw/zinc/25/62/66/943256266.db2.gz	CRKAWKXERRFLHU-NPQOUYBPSA-N	1	0	364.471	1.436	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@H]1CC(C(=O)OCC)=NN1c1ccccc1	ZINC000818588786	943297589	/nfs/dbraw/zinc/29/75/89/943297589.db2.gz	GNSOWRODORNAPZ-GOSISDBHSA-N	1	0	370.453	1.256	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C[C@@H](NC(C)=O)c1c(F)cccc1F	ZINC000818612330	943300896	/nfs/dbraw/zinc/30/08/96/943300896.db2.gz	WNYGBSVQVOYMBG-MRXNPFEDSA-N	1	0	351.397	1.603	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1	ZINC000818611936	943302052	/nfs/dbraw/zinc/30/20/52/943302052.db2.gz	IVRHASADUBOKCJ-SFHVURJKSA-N	1	0	357.454	1.859	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[N@H+](CCCc2cccc(OC)c2)C[C@H]1O	ZINC001195482880	970983434	/nfs/dbraw/zinc/98/34/34/970983434.db2.gz	CNKRJSHUAYGUIX-WOJBJXKFSA-N	1	0	358.482	1.983	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O	ZINC000818595648	943326999	/nfs/dbraw/zinc/32/69/99/943326999.db2.gz	HEVGFVPLTVMZBN-KRWDZBQOSA-N	1	0	355.438	1.379	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H]1CCCCN1C(=O)OC(C)(C)C	ZINC000818979407	943368829	/nfs/dbraw/zinc/36/88/29/943368829.db2.gz	LTGXKCQHODVVFH-CVEARBPZSA-N	1	0	354.495	1.572	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[NH2+]CC(=O)N2CCN(c3ccccc3)CC2)cc1	ZINC000818983339	943371366	/nfs/dbraw/zinc/37/13/66/943371366.db2.gz	DLEDXOJSNZPXOA-FQEVSTJZSA-N	1	0	364.449	1.530	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]CCC(=O)Nc1ccc(Br)cc1	ZINC000818967739	943384595	/nfs/dbraw/zinc/38/45/95/943384595.db2.gz	AKDQBWONHQRQEW-UHFFFAOYSA-N	1	0	352.232	1.507	20	30		FDEDRO
O=C(NCC[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21)C1N=CC=CC1=O	ZINC000819049482	943394786	/nfs/dbraw/zinc/39/47/86/943394786.db2.gz	KZIXBXMMIZKADR-NIVDNSEKSA-N	1	0	370.409	1.024	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCc2ccc(Cl)nc2)nc1	ZINC000819158438	943454624	/nfs/dbraw/zinc/45/46/24/943454624.db2.gz	PHIRMVOHCVSJRC-UHFFFAOYSA-N	1	0	350.831	1.608	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@H]2COC3(CCCC3)O2)c1	ZINC000819205949	943475073	/nfs/dbraw/zinc/47/50/73/943475073.db2.gz	TVEZSOFWGKBZMC-HNNXBMFYSA-N	1	0	350.440	1.607	20	30		FDEDRO
C[C@H]1COCCN1CCNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C	ZINC000819242181	943479025	/nfs/dbraw/zinc/47/90/25/943479025.db2.gz	CAAAJJMYKZNGPG-GJZGRUSLSA-N	1	0	368.478	1.410	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)cc1	ZINC000819224133	943494952	/nfs/dbraw/zinc/49/49/52/943494952.db2.gz	XAOKFWYICOUYQV-OALUTQOASA-N	1	0	350.422	1.767	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1	ZINC000819222660	943494994	/nfs/dbraw/zinc/49/49/94/943494994.db2.gz	UBOOSIIIPMUEEV-NSHDSACASA-N	1	0	368.282	1.924	20	30		FDEDRO
N#Cc1ncn(CC[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)n1	ZINC000819306552	943511625	/nfs/dbraw/zinc/51/16/25/943511625.db2.gz	VBYSPXGTEJCZJE-LBPRGKRZSA-N	1	0	354.183	1.375	20	30		FDEDRO
COc1cc(C[NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)ccc1C#N	ZINC000819320716	943548966	/nfs/dbraw/zinc/54/89/66/943548966.db2.gz	FCVGBQIBJZQMBT-UHFFFAOYSA-N	1	0	368.455	1.413	20	30		FDEDRO
COCC(C)(C)[NH+]1CCN(Cn2cc3c(c(C#N)c2=O)CCCC3)CC1	ZINC000819895848	943784967	/nfs/dbraw/zinc/78/49/67/943784967.db2.gz	SRGSVUAMPHYWNQ-UHFFFAOYSA-N	1	0	358.486	1.599	20	30		FDEDRO
C#CCN(CC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)OC(C)(C)C	ZINC000820217271	943967397	/nfs/dbraw/zinc/96/73/97/943967397.db2.gz	GZHQJLQMXLVDTN-IYBDPMFKSA-N	1	0	367.490	1.472	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ncccc3F)C2)C1=O	ZINC001086838417	944205855	/nfs/dbraw/zinc/20/58/55/944205855.db2.gz	CEYBQPBSVQJLCK-LZWOXQAQSA-N	1	0	360.433	1.496	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1	ZINC001086840827	944296460	/nfs/dbraw/zinc/29/64/60/944296460.db2.gz	ZJOPBVJFESJJNQ-SOUVJXGZSA-N	1	0	367.881	1.555	20	30		FDEDRO
C#C[C@H](NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)C1CCOCC1	ZINC000821505195	944520064	/nfs/dbraw/zinc/52/00/64/944520064.db2.gz	OFVOGNZWBYTCMM-INIZCTEOSA-N	1	0	358.442	1.397	20	30		FDEDRO
CN(C)C(=O)OC1CCN([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1	ZINC000821776093	944664663	/nfs/dbraw/zinc/66/46/63/944664663.db2.gz	UBYNCYBLLKEVJM-MRXNPFEDSA-N	1	0	370.409	1.353	20	30		FDEDRO
C#C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)C1CCOCC1	ZINC000823174230	945518521	/nfs/dbraw/zinc/51/85/21/945518521.db2.gz	YYXKGYLYBZYLBJ-YTQUADARSA-N	1	0	362.518	1.082	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2CC)CC1	ZINC001136770430	945977424	/nfs/dbraw/zinc/97/74/24/945977424.db2.gz	QLMOPCWEYVXDTG-KRWDZBQOSA-N	1	0	373.497	1.805	20	30		FDEDRO
C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@]2(C#N)CC3CCC2CC3)cn1	ZINC001136833065	946263428	/nfs/dbraw/zinc/26/34/28/946263428.db2.gz	BOLBTBUEAWFZSY-ZOJXTTQQSA-N	1	0	372.473	1.219	20	30		FDEDRO
C=CCCS(=O)(=O)N1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1	ZINC000856542143	971222077	/nfs/dbraw/zinc/22/20/77/971222077.db2.gz	PWVZGJVMOOFLJS-KRWDZBQOSA-N	1	0	353.488	1.892	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1	ZINC001573284194	946739880	/nfs/dbraw/zinc/73/98/80/946739880.db2.gz	UXKJBTXLSLZAQT-CQSZACIVSA-N	1	0	353.430	1.459	20	30		FDEDRO
C#CCCCC(=O)N(C)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1	ZINC001573285265	946772833	/nfs/dbraw/zinc/77/28/33/946772833.db2.gz	UUKAHKPQRKONHV-UHFFFAOYSA-N	1	0	353.430	1.492	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccc(-c2nn[nH]n2)cc1	ZINC000824555498	946799416	/nfs/dbraw/zinc/79/94/16/946799416.db2.gz	WVETZNQOPOSLOY-CYBMUJFWSA-N	1	0	353.430	1.860	20	30		FDEDRO
C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000824600226	946855126	/nfs/dbraw/zinc/85/51/26/946855126.db2.gz	YJXSNHLKKWMXLS-PTGFTAGUSA-N	1	0	353.386	1.044	20	30		FDEDRO
C=C(Br)C[NH2+][C@H](C)[C@@H](C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573292040	946926284	/nfs/dbraw/zinc/92/62/84/946926284.db2.gz	NEBMENQWZQBALQ-RKDXNWHRSA-N	1	0	368.239	1.200	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1	ZINC001573292774	946939936	/nfs/dbraw/zinc/93/99/36/946939936.db2.gz	BQZZBEAZCOWCON-NSHDSACASA-N	1	0	364.475	1.097	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1CC[C@H]([C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573293086	946947690	/nfs/dbraw/zinc/94/76/90/946947690.db2.gz	LWXHKXDBIOSXDD-KBPBESRZSA-N	1	0	369.473	1.935	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)C1CCC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1	ZINC001573560667	946956034	/nfs/dbraw/zinc/95/60/34/946956034.db2.gz	FGPIWNBOPMCEDZ-IGEOTXOUSA-N	1	0	367.457	1.886	20	30		FDEDRO
C=C(C)CCC(=O)NC[C@H]1CN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CCO1	ZINC001573293737	946964428	/nfs/dbraw/zinc/96/44/28/946964428.db2.gz	IHUQBDPADJRSKK-AWEZNQCLSA-N	1	0	371.445	1.248	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1OCC	ZINC001573293940	946971556	/nfs/dbraw/zinc/97/15/56/946971556.db2.gz	OTXSCXXGIBEGAM-CZUORRHYSA-N	1	0	373.461	1.228	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CC1	ZINC001573562631	946977398	/nfs/dbraw/zinc/97/73/98/946977398.db2.gz	VGQTVNUDCJXSLJ-ZBEGNZNMSA-N	1	0	371.420	1.492	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](CCOC[C@@H]2CCCO2)CC1	ZINC001195885948	971306381	/nfs/dbraw/zinc/30/63/81/971306381.db2.gz	IBLFBKJSIKYDGW-OTWHNJEPSA-N	1	0	366.502	1.698	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)C1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC001573562758	946979420	/nfs/dbraw/zinc/97/94/20/946979420.db2.gz	XMEDNHUXBNSWBF-NVPAJSRCSA-N	1	0	367.457	1.886	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1	ZINC001573563875	946988570	/nfs/dbraw/zinc/98/85/70/946988570.db2.gz	CUESFGGCVOFPQZ-VXGBXAGGSA-N	1	0	373.486	1.805	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC(C)([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1	ZINC001573564852	947000613	/nfs/dbraw/zinc/00/06/13/947000613.db2.gz	MCZALVROWOESBP-ZDUSSCGKSA-N	1	0	353.430	1.497	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1CC	ZINC001573295228	947011434	/nfs/dbraw/zinc/01/14/34/947011434.db2.gz	MRQMWTIDVJVTLD-AAEUAGOBSA-N	1	0	363.853	1.778	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001573295597	947023042	/nfs/dbraw/zinc/02/30/42/947023042.db2.gz	RXCUSUYWUCNETA-BXUZGUMPSA-N	1	0	363.853	1.920	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1	ZINC001573567200	947039195	/nfs/dbraw/zinc/03/91/95/947039195.db2.gz	KAOYJDSQMVWIAB-AUUYWEPGSA-N	1	0	365.441	1.451	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573567386	947044486	/nfs/dbraw/zinc/04/44/86/947044486.db2.gz	MKCURQPDALHTBE-FZMZJTMJSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573567713	947052147	/nfs/dbraw/zinc/05/21/47/947052147.db2.gz	RGFZRIKASJYNJM-STQMWFEESA-N	1	0	354.418	1.096	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573298564	947076291	/nfs/dbraw/zinc/07/62/91/947076291.db2.gz	PSBXEPFGAAKMSF-AAEUAGOBSA-N	1	0	363.853	1.826	20	30		FDEDRO
C=C(C)CCC(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1	ZINC001573298668	947080068	/nfs/dbraw/zinc/08/00/68/947080068.db2.gz	FLQFBLFIIZJJAS-MRXNPFEDSA-N	1	0	358.446	1.132	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CCCC1	ZINC001573573036	947116395	/nfs/dbraw/zinc/11/63/95/947116395.db2.gz	LKVXVTUPWUPTDS-CXAGYDPISA-N	1	0	367.457	1.791	20	30		FDEDRO
C[C@H](C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573575405	947138614	/nfs/dbraw/zinc/13/86/14/947138614.db2.gz	YOUXCTGLFTYCMM-FCLXEUQJSA-N	1	0	365.441	1.638	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCCCC1	ZINC001573575978	947145614	/nfs/dbraw/zinc/14/56/14/947145614.db2.gz	CFUCZZPCNUMLNY-AWEZNQCLSA-N	1	0	367.457	1.935	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)[C@@H](C)C#N)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F	ZINC001573576309	947151898	/nfs/dbraw/zinc/15/18/98/947151898.db2.gz	GUFCHFNWUDTONH-XHDPSFHLSA-N	1	0	359.409	1.396	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@]1(C)CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573578006	947177816	/nfs/dbraw/zinc/17/78/16/947177816.db2.gz	XDTCKROFTXVHQC-KUHUBIRLSA-N	1	0	367.457	1.745	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1	ZINC001573581927	947184635	/nfs/dbraw/zinc/18/46/35/947184635.db2.gz	ANCDHFDDFKZUJF-RYUDHWBXSA-N	1	0	359.459	1.416	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N(C)CCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573309068	947191761	/nfs/dbraw/zinc/19/17/61/947191761.db2.gz	CIODOFXAZITALQ-GOSISDBHSA-N	1	0	358.446	1.132	20	30		FDEDRO
C[C@H](C#N)C(=O)NCCC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1	ZINC001573583530	947205633	/nfs/dbraw/zinc/20/56/33/947205633.db2.gz	MTDZSXYGFYBLHI-GFCCVEGCSA-N	1	0	354.418	1.144	20	30		FDEDRO
CC(C)[C@@H](CCNC(=O)[C@H](C)C#N)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F	ZINC001573583462	947206249	/nfs/dbraw/zinc/20/62/49/947206249.db2.gz	MGFRLKUCQCMRQT-MLGOLLRUSA-N	1	0	373.436	1.786	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1	ZINC001573584271	947215577	/nfs/dbraw/zinc/21/55/77/947215577.db2.gz	SIQMSOHRUDWPDY-GFCCVEGCSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1C	ZINC001573584578	947227188	/nfs/dbraw/zinc/22/71/88/947227188.db2.gz	YNJKVCABOHKZEI-JJRVBVJISA-N	1	0	367.457	1.601	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H](C)C1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1	ZINC001573585072	947243078	/nfs/dbraw/zinc/24/30/78/947243078.db2.gz	KCLIXEYVLXTWRS-ZIAGYGMSSA-N	1	0	367.457	1.743	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573585324	947251837	/nfs/dbraw/zinc/25/18/37/947251837.db2.gz	OLTMAZMKMBMVLK-IVMMDQJWSA-N	1	0	353.430	1.401	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001573585788	947267450	/nfs/dbraw/zinc/26/74/50/947267450.db2.gz	WKICVINKZKEMMS-DAXOMENPSA-N	1	0	353.430	1.543	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1c1ccc(OC)cc1	ZINC001090870224	947387017	/nfs/dbraw/zinc/38/70/17/947387017.db2.gz	BHSFBVIATJVMMI-DLBZAZTESA-N	1	0	371.437	1.761	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@]1(C)CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1	ZINC001573333817	947443358	/nfs/dbraw/zinc/44/33/58/947443358.db2.gz	GCQYLBHPVRJINB-ACJLOTCBSA-N	1	0	357.462	1.991	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1c1ccc(OC)cc1	ZINC001090874643	947478835	/nfs/dbraw/zinc/47/88/35/947478835.db2.gz	OMUXKBTVODMPJA-RBUKOAKNSA-N	1	0	367.449	1.778	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]21	ZINC001573335468	947479243	/nfs/dbraw/zinc/47/92/43/947479243.db2.gz	ORBIOZRVTCWOLX-SOUVJXGZSA-N	1	0	369.473	1.991	20	30		FDEDRO
C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573335519	947480060	/nfs/dbraw/zinc/48/00/60/947480060.db2.gz	QHHUWWNJWNJVNQ-CQSZACIVSA-N	1	0	357.462	1.991	20	30		FDEDRO
N#CC1(NC(=O)c2c[nH]c(=S)[nH]c2=O)CC[NH+](Cc2ccccc2)CC1	ZINC001196023251	971389409	/nfs/dbraw/zinc/38/94/09/971389409.db2.gz	HVRSEFDUEFAKAU-UHFFFAOYSA-N	1	0	369.450	1.759	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H](N(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)C1	ZINC001573336558	947507905	/nfs/dbraw/zinc/50/79/05/947507905.db2.gz	OZDFDCQWFAKPBT-AWEZNQCLSA-N	1	0	371.445	1.200	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573337104	947513629	/nfs/dbraw/zinc/51/36/29/947513629.db2.gz	UOLUIMNTMWDGCL-AWEZNQCLSA-N	1	0	371.445	1.139	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2nc(CC)c[nH]2)C[C@H]1c1ccc(OC)cc1	ZINC001090874152	947521588	/nfs/dbraw/zinc/52/15/88/947521588.db2.gz	CKGCKGWVEPRPEV-RBUKOAKNSA-N	1	0	366.465	1.741	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)C[C@H]1c1ccc(OC)cc1	ZINC001090877981	947544297	/nfs/dbraw/zinc/54/42/97/947544297.db2.gz	BPSOZUIYQAROQT-WAOWUJCRSA-N	1	0	369.465	1.129	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccnc2OC)C[C@H]1c1ccc(OC)cc1	ZINC001090878227	947548421	/nfs/dbraw/zinc/54/84/21/947548421.db2.gz	MCBZSGWQWBWSEU-RBUKOAKNSA-N	1	0	365.433	1.930	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(C)nc[nH]c2=O)C[C@H]1c1ccc(OC)cc1	ZINC001090878335	947549180	/nfs/dbraw/zinc/54/91/80/947549180.db2.gz	QIPUWRMXKNQHNE-DLBZAZTESA-N	1	0	366.421	1.330	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1ccc(OC)cc1	ZINC001090876252	947556708	/nfs/dbraw/zinc/55/67/08/947556708.db2.gz	VHAIUZWMVSXFEN-FYBDHJHVSA-N	1	0	366.461	1.636	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1c1ccc(OC)cc1	ZINC001090876789	947561958	/nfs/dbraw/zinc/56/19/58/947561958.db2.gz	ALZMYDTXYMNGPC-OKZBNKHCSA-N	1	0	357.454	1.291	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(CC)nn2)C[C@H]1c1ccc(OC)cc1	ZINC001090884975	947653880	/nfs/dbraw/zinc/65/38/80/947653880.db2.gz	PZUYKMSMYUNWJY-DLBZAZTESA-N	1	0	353.426	1.138	20	30		FDEDRO
CO[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@H]1NC(=O)C[N@H+](C)C(C)C	ZINC001090892484	947748028	/nfs/dbraw/zinc/74/80/28/947748028.db2.gz	QRLJRQXPZVGZCH-GHMZBOCLSA-N	1	0	371.894	1.328	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1OC	ZINC001090924306	947932875	/nfs/dbraw/zinc/93/28/75/947932875.db2.gz	AOHJBDCSDNPXJN-NVXWUHKLSA-N	1	0	362.449	1.747	20	30		FDEDRO
CO[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C	ZINC001090921026	947948798	/nfs/dbraw/zinc/94/87/98/947948798.db2.gz	UXNHGHYBBLFBQU-KBAYOESNSA-N	1	0	360.433	1.357	20	30		FDEDRO
C[N@H+](C[C@H](O)c1cccc(C#N)c1)C[C@H]1CCCN(S(C)(=O)=O)C1	ZINC000844368403	948019399	/nfs/dbraw/zinc/01/93/99/948019399.db2.gz	DULHLYMPDODQIV-WBVHZDCISA-N	1	0	351.472	1.195	20	30		FDEDRO
C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1cccc(C#N)c1	ZINC000844369007	948019924	/nfs/dbraw/zinc/01/99/24/948019924.db2.gz	XAYRAPAGCMGDMP-IEBWSBKVSA-N	1	0	371.393	1.872	20	30		FDEDRO
CO[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1NC(=O)C[N@H+](C)C1CCC1	ZINC001090947937	948079606	/nfs/dbraw/zinc/07/96/06/948079606.db2.gz	FVLGIKKIMHQHKG-HUUCEWRRSA-N	1	0	363.487	1.127	20	30		FDEDRO
CN(C)C(=O)N[C@@H]1COCCC12CC[NH+](Cc1cncc(C#N)c1)CC2	ZINC001144080712	948201315	/nfs/dbraw/zinc/20/13/15/948201315.db2.gz	WFQKLVVZLGIIRF-QGZVFWFLSA-N	1	0	357.458	1.596	20	30		FDEDRO
CN(C)C(=O)C1CC[NH+](C2CCN(Cc3cncc(C#N)c3)CC2)CC1	ZINC001144080462	948201775	/nfs/dbraw/zinc/20/17/75/948201775.db2.gz	MVNUYALPTZVXRR-UHFFFAOYSA-N	1	0	355.486	1.718	20	30		FDEDRO
CN(C)C(=O)NC[C@H]1CCC[C@]2(CC[N@H+](Cc3ccc(C#N)cn3)C2)O1	ZINC001144158787	948302476	/nfs/dbraw/zinc/30/24/76/948302476.db2.gz	PQLNQKWDSFSCCM-IEBWSBKVSA-N	1	0	357.458	1.738	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](C(=O)OC)[C@H]2CCC[C@@H](OC)C2)CC1	ZINC000844974901	948551445	/nfs/dbraw/zinc/55/14/45/948551445.db2.gz	LXHJQNIWVHPBIO-BBWFWOEESA-N	1	0	350.459	1.195	20	30		FDEDRO
CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]2CN(c3cccc(F)c3C#N)C[C@@H]21	ZINC001091045680	948635466	/nfs/dbraw/zinc/63/54/66/948635466.db2.gz	QLAHFULRKQAPML-ZWKOTPCHSA-N	1	0	360.433	1.454	20	30		FDEDRO
Cc1nc(N2C[C@H]3OCCN(C(=O)CCC[NH+](C)C)[C@H]3C2)ccc1C#N	ZINC001091058619	948775463	/nfs/dbraw/zinc/77/54/63/948775463.db2.gz	PQKHUSGARJHZHG-DLBZAZTESA-N	1	0	357.458	1.020	20	30		FDEDRO
Cc1cc(N2C[C@H]3OCCN(C(=O)C4(C[NH+](C)C)CC4)[C@H]3C2)c(C#N)cn1	ZINC001091056775	948818269	/nfs/dbraw/zinc/81/82/69/948818269.db2.gz	QZXUOTPTMFLSKB-ZWKOTPCHSA-N	1	0	369.469	1.020	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1COC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000857010974	971531606	/nfs/dbraw/zinc/53/16/06/971531606.db2.gz	DSBBVUIRCQCBAZ-HNNXBMFYSA-N	1	0	360.370	1.357	20	30		FDEDRO
CC(C)(C)C#CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573792995	949277332	/nfs/dbraw/zinc/27/73/32/949277332.db2.gz	HVOWBCXCHGSVDU-WKILWMFISA-N	1	0	352.442	1.653	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1	ZINC001573793717	949301603	/nfs/dbraw/zinc/30/16/03/949301603.db2.gz	WZZJLJROWKRAEO-GFCCVEGCSA-N	1	0	358.471	1.668	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@H](CCO)C3CC3)CC2)c1	ZINC000845738713	949818144	/nfs/dbraw/zinc/81/81/44/949818144.db2.gz	BNLHYKGRFJVBDK-LJQANCHMSA-N	1	0	356.470	1.983	20	30		FDEDRO
C#Cc1ccc(C[N@@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)cc1	ZINC001144569375	949946848	/nfs/dbraw/zinc/94/68/48/949946848.db2.gz	QFIAMOKQVGRXOU-SLFFLAALSA-N	1	0	354.450	1.364	20	30		FDEDRO
CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@H](C)C#N	ZINC001574150239	950025097	/nfs/dbraw/zinc/02/50/97/950025097.db2.gz	AQWRUUCKNRBNFU-NEPJUHHUSA-N	1	0	361.475	1.708	20	30		FDEDRO
C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CC#N)CC1	ZINC000845931541	950206548	/nfs/dbraw/zinc/20/65/48/950206548.db2.gz	JVPFJRXJYQHDNJ-HNNXBMFYSA-N	1	0	352.479	1.984	20	30		FDEDRO
C[C@@H](CN(C)C(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1	ZINC001574739696	950207536	/nfs/dbraw/zinc/20/75/36/950207536.db2.gz	WADXBNCEXVTLNL-JTQLQIEISA-N	1	0	370.442	1.378	20	30		FDEDRO
N#Cc1ncccc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1	ZINC000846234179	950757853	/nfs/dbraw/zinc/75/78/53/950757853.db2.gz	BJDXHJAYHVPUOA-YUELXQCFSA-N	1	0	350.444	1.003	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC([NH2+]Cc2nccn2C(F)F)C1	ZINC001091237895	951190686	/nfs/dbraw/zinc/19/06/86/951190686.db2.gz	CCVTVYSRHXFEMU-PQAZSJQKSA-N	1	0	354.401	1.854	20	30		FDEDRO
C=C(Cl)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1	ZINC001571012020	951248445	/nfs/dbraw/zinc/24/84/45/951248445.db2.gz	DWQCCGZIZHVLQY-VXGBXAGGSA-N	1	0	363.853	1.778	20	30		FDEDRO
CC(=O)N1CC2(C1)C[N@H+]([C@H](C)Cc1cccc(C#N)c1)C[C@H]2C(=O)N(C)C	ZINC001171231452	951270682	/nfs/dbraw/zinc/27/06/82/951270682.db2.gz	JYMBEFXJMIZGRB-BEFAXECRSA-N	1	0	368.481	1.358	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2ncnn2CCF)C1	ZINC001091278289	951294094	/nfs/dbraw/zinc/29/40/94/951294094.db2.gz	MPSFSYNWXALMSI-NDTCATRNSA-N	1	0	365.453	1.213	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)N[C@@H]2CCCC[C@H]2Nc2ccncc2C#N)CC1	ZINC001091274022	951319873	/nfs/dbraw/zinc/31/98/73/951319873.db2.gz	DUPQEMYOHKKJHA-RTBURBONSA-N	1	0	371.485	1.325	20	30		FDEDRO
C=CCOC[C@@H](O)C[NH2+][C@H]1Cc2ccc(I)cc2C1	ZINC001252488359	971749259	/nfs/dbraw/zinc/74/92/59/971749259.db2.gz	LHHMGBRTWPDVQP-GJZGRUSLSA-N	1	0	373.234	1.912	20	30		FDEDRO
C#CCCCNC(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000846733655	951508531	/nfs/dbraw/zinc/50/85/31/951508531.db2.gz	QUKLBAGPRISWJP-UHFFFAOYSA-N	1	0	352.438	1.168	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H]3CCO[C@H]3CC)c2)C1	ZINC001091404467	951598551	/nfs/dbraw/zinc/59/85/51/951598551.db2.gz	JYSBRGHAJQHZTJ-AQNXPRMDSA-N	1	0	371.481	1.989	20	30		FDEDRO
N=C(Nc1ncnc2sc3c(c21)CC[NH2+]C3)c1ccc(C(N)=O)cc1	ZINC001171253018	951622634	/nfs/dbraw/zinc/62/26/34/951622634.db2.gz	CYJWDQPOOOOQAF-UHFFFAOYSA-N	1	0	352.423	1.473	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)/C=C(/C)C4CC4)C[C@]3(C)C2)C1=O	ZINC001091516419	951918640	/nfs/dbraw/zinc/91/86/40/951918640.db2.gz	XPCMISJNAHGDGH-CUAVGZIKSA-N	1	0	357.498	1.910	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001091538967	951966213	/nfs/dbraw/zinc/96/62/13/951966213.db2.gz	OXLYBBNMJLZLAD-OPYAIIAOSA-N	1	0	351.450	1.097	20	30		FDEDRO
C[C@@]12CN(Cc3cc(F)ccc3C#N)C[C@@H]1CN(C(=O)[C@H]1CCC(=O)N1)C2	ZINC001091538993	951967110	/nfs/dbraw/zinc/96/71/10/951967110.db2.gz	PXRHCPSHVBOMGQ-MDYRTPRTSA-N	1	0	370.428	1.256	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2C[N@H+](Cc3cccc4c3OCCO4)C[C@@]2(C)C1	ZINC001091545217	951984746	/nfs/dbraw/zinc/98/47/46/951984746.db2.gz	MCBFKLDPJKCPHR-KKVAFCGZSA-N	1	0	355.438	1.898	20	30		FDEDRO
C[C@]12CN(C(=O)CC(N)=O)C[C@H]1C[N@H+](CC#Cc1cccc(Cl)c1)C2	ZINC001091554774	952042933	/nfs/dbraw/zinc/04/29/33/952042933.db2.gz	AGAKGRHDOLUDBB-BEFAXECRSA-N	1	0	359.857	1.347	20	30		FDEDRO
CN1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@@]3(C)C2)C1	ZINC001091565657	952093217	/nfs/dbraw/zinc/09/32/17/952093217.db2.gz	UXNHWJYJYMYQIR-SBHAEUEKSA-N	1	0	368.481	1.169	20	30		FDEDRO
C[C@]12CN(C(=O)C[C@@H]3COC(=O)C3)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001091597899	952198750	/nfs/dbraw/zinc/19/87/50/952198750.db2.gz	OPYCSZCNKGRUQZ-UEXGIBASSA-N	1	0	367.449	1.792	20	30		FDEDRO
CC1CC[NH+](CC(=O)NC[C@H]2CC[C@@H](Nc3nccnc3C#N)C2)CC1	ZINC001091601697	952221884	/nfs/dbraw/zinc/22/18/84/952221884.db2.gz	XZDAYPJLOORFHF-JKSUJKDBSA-N	1	0	356.474	1.777	20	30		FDEDRO
CN1CCOC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@@]2(C)C1	ZINC001091612208	952293380	/nfs/dbraw/zinc/29/33/80/952293380.db2.gz	OADKUFXNVDKWMQ-SJBKTWHCSA-N	1	0	367.493	1.149	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4coc(C)n4)C[C@]3(C)C2)C1=O	ZINC001091620421	952335350	/nfs/dbraw/zinc/33/53/50/952335350.db2.gz	ABIFQQZKEWKLLJ-OGWOLHLISA-N	1	0	358.442	1.164	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[C@@H](Nc2cncc(C#N)n2)C1	ZINC001091647958	952490701	/nfs/dbraw/zinc/49/07/01/952490701.db2.gz	KNOIXPUMXJKWHI-ZMSDIMECSA-N	1	0	356.474	1.919	20	30		FDEDRO
C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc2c(c1)CCC(=O)N2	ZINC000772984537	952502070	/nfs/dbraw/zinc/50/20/70/952502070.db2.gz	OIXOKACDGOBQDA-AKDSAVJFSA-N	1	0	354.410	1.748	20	30		FDEDRO
CC(C)(C)N1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]3(C)C2)C1=O	ZINC001091659514	952519462	/nfs/dbraw/zinc/51/94/62/952519462.db2.gz	MFMHXJAOSBCXJN-LZJOCLMNSA-N	1	0	357.498	1.580	20	30		FDEDRO
C=C[C@@H]1C[C@]1(NC(=O)c1ccc(CC[NH+]2CCCC2)nc1)C(=O)OCC	ZINC001147976560	952581698	/nfs/dbraw/zinc/58/16/98/952581698.db2.gz	XKUSYCUBZIMVSY-OXQOHEQNSA-N	1	0	357.454	1.958	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNc1nc(C)ccc1C#N	ZINC001091672431	952587874	/nfs/dbraw/zinc/58/78/74/952587874.db2.gz	KFYBAVYPGIKEMU-IAGOWNOFSA-N	1	0	359.474	1.489	20	30		FDEDRO
C[C@]12CN(C(=O)[C@]34C[C@H]3COC4)C[C@H]1C[N@H+](CC#Cc1ccc(F)cc1)C2	ZINC001091686132	952639345	/nfs/dbraw/zinc/63/93/45/952639345.db2.gz	SFGAVVXSNFNWFR-UDKICSLYSA-N	1	0	368.452	1.994	20	30		FDEDRO
C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H](CNc2ccnc(C#N)n2)C1	ZINC001091686922	952641633	/nfs/dbraw/zinc/64/16/33/952641633.db2.gz	VQTICZPNKCHQQR-CVEARBPZSA-N	1	0	358.490	1.541	20	30		FDEDRO
COc1ccc([C@H]([NH2+]Cc2cc(=O)n3ncc(C#N)c3[nH]2)C2CC2)cn1	ZINC001196667855	971854508	/nfs/dbraw/zinc/85/45/08/971854508.db2.gz	ZXRYNJZNBSWZDE-QGZVFWFLSA-N	1	0	350.382	1.951	20	30		FDEDRO
C[C@]12CN(C(=O)Cn3nccn3)C[C@H]1C[N@H+](Cc1ccc(F)c(C#N)c1)C2	ZINC001091703748	952676435	/nfs/dbraw/zinc/67/64/35/952676435.db2.gz	PKJAFEGCPICPGF-APWZRJJASA-N	1	0	368.416	1.269	20	30		FDEDRO
C[C@]12CN(C(=O)Cn3nccn3)C[C@H]1C[N@H+](Cc1ccc(C#N)s1)C2	ZINC001091703934	952678782	/nfs/dbraw/zinc/67/87/82/952678782.db2.gz	ZZKZHRDAGUOXCK-DYVFJYSZSA-N	1	0	356.455	1.192	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H]2CN(C(=O)c3c(=O)[nH]nc(CC)c3CC)C[C@]2(C)C1	ZINC001091713443	952706369	/nfs/dbraw/zinc/70/63/69/952706369.db2.gz	YERCRALIAURRLD-VLIAUNLRSA-N	1	0	356.470	1.724	20	30		FDEDRO
N#Cc1ccc(Cl)cc1S(=O)(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1	ZINC001196676514	971862006	/nfs/dbraw/zinc/86/20/06/971862006.db2.gz	RYAIOFMZBYDRQY-HNNXBMFYSA-N	1	0	369.874	1.697	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2C[N@H+](CCn3cncn3)C[C@@]2(C)C1	ZINC001091736795	952763870	/nfs/dbraw/zinc/76/38/70/952763870.db2.gz	CWIMDSSTCTYXOE-APWZRJJASA-N	1	0	354.458	1.360	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc4c(c3)OCC(=O)N4)C[C@]2(C)C1	ZINC001091739678	952769465	/nfs/dbraw/zinc/76/94/65/952769465.db2.gz	ZGJMXIQPDYAJTH-QRWLVFNGSA-N	1	0	355.438	1.988	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3cccc4c3NC(=O)CO4)C[C@]2(C)C1	ZINC001091745385	952781197	/nfs/dbraw/zinc/78/11/97/952781197.db2.gz	IYMRYEZWVIOTFB-VLIAUNLRSA-N	1	0	355.438	1.988	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cnccc3C)C[C@@]2(C)C1	ZINC001091748478	952794502	/nfs/dbraw/zinc/79/45/02/952794502.db2.gz	NXBMZMLILXTCND-URVUXULASA-N	1	0	366.509	1.768	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@]2(C)C1	ZINC001091751609	952801076	/nfs/dbraw/zinc/80/10/76/952801076.db2.gz	KVIIDAPUKLCDRK-FCBIJRMHSA-N	1	0	369.465	1.642	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCC(=O)N3)C2)c(F)c1	ZINC001086857665	952875782	/nfs/dbraw/zinc/87/57/82/952875782.db2.gz	OUZFVBRKSXFJBY-LXZKKBNFSA-N	1	0	358.417	1.350	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H]3CCN(CC=C)C3=O)C2)cn1	ZINC001086857830	952876940	/nfs/dbraw/zinc/87/69/40/952876940.db2.gz	ZGRXDRWKSVSJRL-IPELMVKDSA-N	1	0	366.465	1.338	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cncn2C)C1	ZINC001086856515	952902928	/nfs/dbraw/zinc/90/29/28/952902928.db2.gz	DVQXIELEDVJTAS-JKSUJKDBSA-N	1	0	367.453	1.515	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNC(=O)c1cnccn1)C2	ZINC001110122638	952932537	/nfs/dbraw/zinc/93/25/37/952932537.db2.gz	SQEQJARVTDHLMG-VYDXJSESSA-N	1	0	357.458	1.284	20	30		FDEDRO
CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)CC1	ZINC001086934779	952944943	/nfs/dbraw/zinc/94/49/43/952944943.db2.gz	ZULYUJNYDXBZSD-YDZRNGNQSA-N	1	0	360.498	1.764	20	30		FDEDRO
Cc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2c2cnn(C)c2)cc1	ZINC001086970755	952972472	/nfs/dbraw/zinc/97/24/72/952972472.db2.gz	HARHLXAZAFOMOQ-AYOQOUSVSA-N	1	0	351.454	1.972	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2cccc(F)c2)C[C@H]1c1cnn(C)c1	ZINC001086979150	952992336	/nfs/dbraw/zinc/99/23/36/952992336.db2.gz	LLKBROBSLUWQBA-ZOCIIQOWSA-N	1	0	370.428	1.544	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2Cc3ccccc3O2)C[C@H]1c1cnn(C)c1	ZINC001086979536	952993132	/nfs/dbraw/zinc/99/31/32/952993132.db2.gz	FQSZVAUNUDNWFR-GBESFXJTSA-N	1	0	364.449	1.331	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnc3n[nH]cc3c2)C[C@H]1c1cnn(C)c1	ZINC001086984012	952998362	/nfs/dbraw/zinc/99/83/62/952998362.db2.gz	UTDYRZFHFUZITF-JKSUJKDBSA-N	1	0	351.414	1.075	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(C)nnc2CC)C[C@H]1c1cnn(C)c1	ZINC001086985114	953001817	/nfs/dbraw/zinc/00/18/17/953001817.db2.gz	UVEGZMJLQOOTCL-PKOBYXMFSA-N	1	0	368.485	1.855	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2COc3ccccc3C2)C[C@H]1c1cnn(C)c1	ZINC001086987079	953008784	/nfs/dbraw/zinc/00/87/84/953008784.db2.gz	YMXJTPIFTJJEAC-NZSAHSFTSA-N	1	0	366.465	1.741	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccncc2OC(C)C)C[C@H]1c1cnn(C)c1	ZINC001086988975	953013403	/nfs/dbraw/zinc/01/34/03/953013403.db2.gz	AFCNTBLORFCUSN-ZWKOTPCHSA-N	1	0	367.453	1.433	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]C[C@H]2CCCOC2)C1	ZINC001086991048	953019838	/nfs/dbraw/zinc/01/98/38/953019838.db2.gz	HJVLLFIKUDGHPY-BPQIPLTHSA-N	1	0	360.502	1.943	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CC/C=C/CCC)C[C@H]1O	ZINC001196691309	971890274	/nfs/dbraw/zinc/89/02/74/971890274.db2.gz	CAXJUJDQXOIRHU-RCKLCRPTSA-N	1	0	351.491	1.365	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cc(C)ccc2C)C[C@H]1c1cnn(C)c1	ZINC001086994003	953028791	/nfs/dbraw/zinc/02/87/91/953028791.db2.gz	DMLCIMLOUUMHNK-VQTJNVASSA-N	1	0	350.466	1.797	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H]1O	ZINC001196691545	971890977	/nfs/dbraw/zinc/89/09/77/971890977.db2.gz	GXEAIZPLMSROST-IPMKNSEASA-N	1	0	365.518	1.589	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nc(C)ncc2Cl)C[C@H]1c1cnn(C)c1	ZINC001087000324	953049310	/nfs/dbraw/zinc/04/93/10/953049310.db2.gz	QIZQOAICVDZDKK-DZGCQCFKSA-N	1	0	358.833	1.003	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C)c2)C[C@H]1O	ZINC001196692171	971892067	/nfs/dbraw/zinc/89/20/67/971892067.db2.gz	XBKVVYKQZRRCMH-IPMKNSEASA-N	1	0	359.470	1.127	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2c(C)n[nH]c2C)C[C@H]1c1cnn(C)c1	ZINC001087002351	953057730	/nfs/dbraw/zinc/05/77/30/953057730.db2.gz	VEPAXMFOHNNGBK-AFAVFJNCSA-N	1	0	356.474	1.634	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cnn(C)c2)C[C@H]1c1cnn(C)c1	ZINC001087003929	953060962	/nfs/dbraw/zinc/06/09/62/953060962.db2.gz	WBGCUQMJTXNZPC-DLBZAZTESA-N	1	0	356.474	1.201	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(C)[nH]nc2C(C)C)C[C@H]1c1cnn(C)c1	ZINC001087005105	953063775	/nfs/dbraw/zinc/06/37/75/953063775.db2.gz	LYGDVUCBEMZXMN-JKSUJKDBSA-N	1	0	354.458	1.406	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2conc2COC)C[C@H]1c1cnn(C)c1	ZINC001087005901	953065895	/nfs/dbraw/zinc/06/58/95/953065895.db2.gz	ZJISTXHJLDFNHP-GOEBONIOSA-N	1	0	359.430	1.328	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cnn(C)c2)C1	ZINC001086995150	953067297	/nfs/dbraw/zinc/06/72/97/953067297.db2.gz	NRTNLNMTHNDQIL-NLWGTHIKSA-N	1	0	370.501	1.840	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(F)c(COC)c2)C[C@H]1c1cnn(C)c1	ZINC001086995724	953068918	/nfs/dbraw/zinc/06/89/18/953068918.db2.gz	SDUBGAISTJMWFN-PKOBYXMFSA-N	1	0	370.428	1.537	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087017690	953075111	/nfs/dbraw/zinc/07/51/11/953075111.db2.gz	PKVYQOIEPQADNP-WOJBJXKFSA-N	1	0	371.481	1.938	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2scnc2COC)C1	ZINC001196764747	971895063	/nfs/dbraw/zinc/89/50/63/971895063.db2.gz	KCUUHRSXJZIHAF-UKRRQHHQSA-N	1	0	353.488	1.811	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(CC)c(CC)o2)C[C@H]1c1cnn(C)c1	ZINC001087006300	953090069	/nfs/dbraw/zinc/09/00/69/953090069.db2.gz	UGCCSRWLESVBEE-DLBZAZTESA-N	1	0	354.454	1.969	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnn3c2C[C@@H](C)CC3)C[C@H]1c1cnn(C)c1	ZINC001087007822	953094012	/nfs/dbraw/zinc/09/40/12/953094012.db2.gz	YGZWJUCROCLDDL-JCGIZDLHSA-N	1	0	368.485	1.583	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(C)c(C)c2)C[C@H]1c1cnn(C)c1	ZINC001087008623	953095738	/nfs/dbraw/zinc/09/57/38/953095738.db2.gz	PLDWOIGDDRRLSI-VQTJNVASSA-N	1	0	350.466	1.797	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COc2ccc(C)c(C)c2)C[C@H]1c1cnn(C)c1	ZINC001087008888	953096415	/nfs/dbraw/zinc/09/64/15/953096415.db2.gz	CAQAWPIPPYNQSB-VQTJNVASSA-N	1	0	366.465	1.633	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)COc2cccc(C)c2)C[C@H]1c1cnn(C)c1	ZINC001087008962	953096861	/nfs/dbraw/zinc/09/68/61/953096861.db2.gz	HLISFLCNKASKMU-RBUKOAKNSA-N	1	0	354.454	1.878	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)n2c(C)ccc2C)C[C@H]1c1cnn(C)c1	ZINC001087010769	953102330	/nfs/dbraw/zinc/10/23/30/953102330.db2.gz	QECMNRSSGAWSST-YTQUADARSA-N	1	0	353.470	1.617	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cnc(OCC)cn2)C[C@H]1c1cnn(C)c1	ZINC001087012111	953105577	/nfs/dbraw/zinc/10/55/77/953105577.db2.gz	GBMVZDHRXWKWDH-DOTOQJQBSA-N	1	0	370.457	1.383	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH]c(=O)oc32)C[C@H]1c1cnn(C)c1	ZINC001087012131	953105722	/nfs/dbraw/zinc/10/57/22/953105722.db2.gz	HERBPQORVXQVNF-GOEBONIOSA-N	1	0	367.409	1.651	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](CC)OC)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087033427	953134741	/nfs/dbraw/zinc/13/47/41/953134741.db2.gz	QXRRFLOYQUHIQR-CEXWTWQISA-N	1	0	359.470	1.936	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1cn(C(C)(C)C)nn1	ZINC001087035539	953145173	/nfs/dbraw/zinc/14/51/73/953145173.db2.gz	DKCXBLVYIJLNLF-SQWLQELKSA-N	1	0	362.478	1.146	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1cn(C)nc1C(F)F	ZINC001087035814	953146258	/nfs/dbraw/zinc/14/62/58/953146258.db2.gz	NNPXIVJMVWYVCF-YRGRVCCFSA-N	1	0	369.416	1.470	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1conc1C	ZINC001087045955	953192673	/nfs/dbraw/zinc/19/26/73/953192673.db2.gz	BQSMLHPYYAALKP-CXAGYDPISA-N	1	0	357.414	1.450	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]nc2C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087070818	953223575	/nfs/dbraw/zinc/22/35/75/953223575.db2.gz	LGEJGXZGIZKGOA-IEBWSBKVSA-N	1	0	367.453	1.857	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnns2)[C@H](OCC)C1	ZINC001087085451	953246743	/nfs/dbraw/zinc/24/67/43/953246743.db2.gz	FUYHNWSWOFWKSP-DMRZNYOFSA-N	1	0	366.487	1.082	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]C[C@H]3CCOC3)[C@H](OCC)C2)cn1	ZINC001087097236	953284566	/nfs/dbraw/zinc/28/45/66/953284566.db2.gz	DEEUUIOSHLZCML-SZVBFZGTSA-N	1	0	357.454	1.166	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CCN1c1ccc(C#N)nn1	ZINC001091785982	953303859	/nfs/dbraw/zinc/30/38/59/953303859.db2.gz	IGRZXZAVTHJFCA-SCTDSRPQSA-N	1	0	370.501	1.942	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CCN1c1cncc(C#N)n1	ZINC001091786991	953305270	/nfs/dbraw/zinc/30/52/70/953305270.db2.gz	XQABXLMRJGJKEU-YQVWRLOYSA-N	1	0	370.501	1.942	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3cnc4ccc(OC)nn43)C[C@]2(C)C1	ZINC001091796928	953323334	/nfs/dbraw/zinc/32/33/34/953323334.db2.gz	GGKIZRDBQPEBLL-KUHUBIRLSA-N	1	0	355.442	1.708	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC4N=NC(=O)N4C3)C[C@]2(C)C1	ZINC001091797345	953324384	/nfs/dbraw/zinc/32/43/84/953324384.db2.gz	MMBDAEFSRXAZQN-KHYOSLBOSA-N	1	0	359.474	1.293	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CCN1c1ccc(C#N)nn1	ZINC001091831372	953371582	/nfs/dbraw/zinc/37/15/82/953371582.db2.gz	AMSBSVCNIVXSGO-IXDOHACOSA-N	1	0	356.474	1.696	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)c3ccc(=O)n(CCOC)c3)C[C@]2(C)C1	ZINC001091816097	953467067	/nfs/dbraw/zinc/46/70/67/953467067.db2.gz	ZCMCZONQEDXFTD-XLIONFOSSA-N	1	0	359.470	1.465	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc4c(c3)N(C)C(=O)C4)C[C@]2(C)C1	ZINC001091825187	953494283	/nfs/dbraw/zinc/49/42/83/953494283.db2.gz	PHCFBWOGBBXNJE-UTKZUKDTSA-N	1	0	351.450	1.623	20	30		FDEDRO
CC[C@H](C(=O)N[C@H]1CCN(c2nccnc2C#N)[C@@H]1CC)[NH+](CC)CC	ZINC001091826238	953500264	/nfs/dbraw/zinc/50/02/64/953500264.db2.gz	NGOUNYGSRBDBCX-USXIJHARSA-N	1	0	358.490	1.942	20	30		FDEDRO
Cc1cc(C#N)nc(N2CC[C@@H]3CN(C(=O)CCCC[NH+](C)C)C[C@@H]3C2)n1	ZINC001091857045	953566492	/nfs/dbraw/zinc/56/64/92/953566492.db2.gz	VQRQXUGEEQEBKB-SJORKVTESA-N	1	0	370.501	1.673	20	30		FDEDRO
C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)c3c(C)c(C)nn(C)c3=O)C[C@]2(C)C1	ZINC001091903077	953662325	/nfs/dbraw/zinc/66/23/25/953662325.db2.gz	RKHPLOSJKSSCHA-KDOFPFPSSA-N	1	0	364.877	1.544	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3CCNC3=O)C[C@H]1C[N@H+](Cc1ccc(F)c(C#N)c1)C2	ZINC001091911528	953699994	/nfs/dbraw/zinc/69/99/94/953699994.db2.gz	VIIZHHSFPWIUOD-GUXCAODWSA-N	1	0	370.428	1.114	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1	ZINC001091916163	953706685	/nfs/dbraw/zinc/70/66/85/953706685.db2.gz	CLFBKHCWIJFCFB-DAYGRLMNSA-N	1	0	354.516	1.414	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCN(C(C)(C)C)C3=O)C[C@]2(C)C1	ZINC001091943179	953800786	/nfs/dbraw/zinc/80/07/86/953800786.db2.gz	XCPUYBFUUMOFCW-WWMYMODYSA-N	1	0	359.514	1.827	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCN(c2ccncc2C#N)[C@@H]1C	ZINC001091972490	953957943	/nfs/dbraw/zinc/95/79/43/953957943.db2.gz	GAIUHFOKZJVQOJ-UXLLHSPISA-N	1	0	357.458	1.005	20	30		FDEDRO
Cc1nc(N2CC[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)[C@H]2C)ccc1C#N	ZINC001091973075	953960640	/nfs/dbraw/zinc/96/06/40/953960640.db2.gz	VBWPGXWLEKAWMZ-KYJSFNMBSA-N	1	0	371.485	1.313	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]21	ZINC000961995276	1013118711	/nfs/dbraw/zinc/11/87/11/1013118711.db2.gz	MDYJSEJQQPSUGP-APWQULEDSA-N	1	0	361.486	1.027	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC(=O)N(CC)CC)C1	ZINC001196969990	971991741	/nfs/dbraw/zinc/99/17/41/971991741.db2.gz	RSEBKFFJPKLDGY-GVDBMIGSSA-N	1	0	353.507	1.541	20	30		FDEDRO
Cc1cc(C#N)nc(N2CC[C@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)[C@H]2C)n1	ZINC001092062452	954179761	/nfs/dbraw/zinc/17/97/61/954179761.db2.gz	OFIZWNBNHJLSRO-PVAVHDDUSA-N	1	0	356.474	1.615	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)c2ccccc2F)C1	ZINC001196945801	972002263	/nfs/dbraw/zinc/00/22/63/972002263.db2.gz	FTNWUQIHRLQVOJ-ZTFGCOKTSA-N	1	0	350.434	1.683	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CNC(C)=O)o2)C1	ZINC001196946243	972003466	/nfs/dbraw/zinc/00/34/66/972003466.db2.gz	KNVGXJYAEXLMKN-IAGOWNOFSA-N	1	0	363.458	1.437	20	30		FDEDRO
C[C@]12CN(C(=O)c3nc[nH]n3)C[C@H]1C[N@H+](Cc1ccc(F)c(C#N)c1)C2	ZINC001092109813	954338264	/nfs/dbraw/zinc/33/82/64/954338264.db2.gz	XVOAJQFYYNKTES-KDOFPFPSSA-N	1	0	354.389	1.410	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cn(C4CCOCC4)nn3)C[C@]2(C)C1	ZINC001092178990	954468355	/nfs/dbraw/zinc/46/83/55/954468355.db2.gz	BAVBLNBCPUOIMJ-BEFAXECRSA-N	1	0	357.458	1.047	20	30		FDEDRO
C[C@]12CN(C(=O)Cc3nnc[nH]3)C[C@H]1C[N@H+](Cc1ccc(C#N)s1)C2	ZINC001092181674	954474513	/nfs/dbraw/zinc/47/45/13/954474513.db2.gz	KGSQGLRNLODSQA-PXAZEXFGSA-N	1	0	356.455	1.261	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4[nH]cnc4CC)C[C@]3(C)C2)C1=O	ZINC001092239802	954595926	/nfs/dbraw/zinc/59/59/26/954595926.db2.gz	MWVMXOGIABQNAZ-KKVAFCGZSA-N	1	0	371.485	1.153	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+](Cc4cnc(C)cn4)C[C@@]3(C)C2)cn1	ZINC001092211981	954620830	/nfs/dbraw/zinc/62/08/30/954620830.db2.gz	XCFZFFNWBHQEOV-UTKZUKDTSA-N	1	0	361.449	1.755	20	30		FDEDRO
C[C@]12CN(C(=O)Cn3ccnc3)C[C@H]1C[N@H+](Cc1ccc(C#N)c(F)c1)C2	ZINC001092319898	954832264	/nfs/dbraw/zinc/83/22/64/954832264.db2.gz	WHCJZKIFAIJUKT-XLIONFOSSA-N	1	0	367.428	1.874	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CNC(=O)CCCC[NH+]1CCCC1	ZINC001092378935	954972105	/nfs/dbraw/zinc/97/21/05/954972105.db2.gz	PTNHUZFKETXPKH-IAGOWNOFSA-N	1	0	370.501	1.803	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CNC(=O)CC[NH+]1CCCCC1	ZINC001092374909	955049487	/nfs/dbraw/zinc/04/94/87/955049487.db2.gz	OTXPRTXBMHXQJP-HZPDHXFCSA-N	1	0	356.474	1.413	20	30		FDEDRO
C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)c1nccn12	ZINC001092374963	955050327	/nfs/dbraw/zinc/05/03/27/955050327.db2.gz	RIDYCRSOPVTJOR-KFWWJZLASA-N	1	0	352.442	1.558	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3ccc(F)cc3)[C@H](C)C2)C1=O	ZINC001092433348	955085235	/nfs/dbraw/zinc/08/52/35/955085235.db2.gz	UHRLDZCCHDQAFA-KYJSFNMBSA-N	1	0	359.445	1.910	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)c1cc[n+]([O-])cc1	ZINC001092446248	955122727	/nfs/dbraw/zinc/12/27/27/955122727.db2.gz	XHIPCMMMEPRMBO-VQIMIIECSA-N	1	0	367.424	1.809	20	30		FDEDRO
Cc1nsc(N2C[C@@H](CNC(=O)C3([NH+](C)C)CCC3)[C@H](C)C2)c1C#N	ZINC001092415501	955146500	/nfs/dbraw/zinc/14/65/00/955146500.db2.gz	VGJDVRMICKPEEE-TZMCWYRMSA-N	1	0	361.515	1.996	20	30		FDEDRO
Cc1nc(N2C[C@@H](CNC(=O)[C@H](C3CC3)[NH+](C)C)[C@H](C)C2)ccc1C#N	ZINC001092415719	955147637	/nfs/dbraw/zinc/14/76/37/955147637.db2.gz	CEOWPVMNDVXACF-XVSDVWIESA-N	1	0	355.486	1.790	20	30		FDEDRO
C[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1CCNC(=O)[C@@H]1CCC[N@@H+]1C	ZINC001092484393	955239835	/nfs/dbraw/zinc/23/98/35/955239835.db2.gz	MSFRLZMNAAGURA-UNEWFSDZSA-N	1	0	359.449	1.765	20	30		FDEDRO
Cc1c(C(=O)NC[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2C)nnn1C	ZINC001092518772	955304630	/nfs/dbraw/zinc/30/46/30/955304630.db2.gz	ZRMNLVFELXINLX-CRAIPNDOSA-N	1	0	351.454	1.473	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3cnccc3C)[C@H](C)C2)C1=O	ZINC001092519021	955305566	/nfs/dbraw/zinc/30/55/66/955305566.db2.gz	HNTKKPVWGRSHCB-JFIYKMOQSA-N	1	0	356.470	1.475	20	30		FDEDRO
C[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC001092527469	955335436	/nfs/dbraw/zinc/33/54/36/955335436.db2.gz	MQLMAKIZIZWFAF-UXIGCNINSA-N	1	0	352.385	1.608	20	30		FDEDRO
COc1nscc1C[N@H+]1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)[C@H](C)C1	ZINC001092527928	955336673	/nfs/dbraw/zinc/33/66/73/955336673.db2.gz	UCGOUUOCWNYTLW-DGCLKSJQSA-N	1	0	359.455	1.849	20	30		FDEDRO
C[C@@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)[C@H](C)C1	ZINC001092546191	955378635	/nfs/dbraw/zinc/37/86/35/955378635.db2.gz	ONYGNLTXJGHHEK-OWCLPIDISA-N	1	0	371.485	1.585	20	30		FDEDRO
COc1cc(C[N@H+]2C[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)sn1	ZINC001092551025	955401115	/nfs/dbraw/zinc/40/11/15/955401115.db2.gz	DPJVDJCXZVJTLH-VXGBXAGGSA-N	1	0	359.455	1.849	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC001092551246	955403136	/nfs/dbraw/zinc/40/31/36/955403136.db2.gz	SHPXXCPNWNFDSR-IDHHARJASA-N	1	0	352.438	1.918	20	30		FDEDRO
C[C@@H]1CN(c2ncccc2C#N)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001092552162	955408438	/nfs/dbraw/zinc/40/84/38/955408438.db2.gz	YAMNSOQRTOXIQX-LZQZEXGQSA-N	1	0	367.497	1.874	20	30		FDEDRO
COc1coc(C[N@H+]2C[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)cc1=O	ZINC001092555442	955427892	/nfs/dbraw/zinc/42/78/92/955427892.db2.gz	QJOFPGLHLPSUCF-TZMCWYRMSA-N	1	0	370.409	1.346	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CCNC(=O)C(C)(C)[NH+]1CCCC1	ZINC001092563529	955468147	/nfs/dbraw/zinc/46/81/47/955468147.db2.gz	QSXYMYJWKMSLRI-HZPDHXFCSA-N	1	0	370.501	1.801	20	30		FDEDRO
CC(=O)N1CC(C(=O)NC[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]2C)C1	ZINC001092568208	955482094	/nfs/dbraw/zinc/48/20/94/955482094.db2.gz	NURGBCIRYYJXTD-CRAIPNDOSA-N	1	0	371.456	1.340	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CCNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001092531465	955491475	/nfs/dbraw/zinc/49/14/75/955491475.db2.gz	GRFMRWJEFBYYKW-BZUAXINKSA-N	1	0	356.474	1.269	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)NCC[C@@H]2CN(c3ccc(C#N)cn3)C[C@H]2C)C1	ZINC001092584106	955729669	/nfs/dbraw/zinc/72/96/69/955729669.db2.gz	HILRULUQMSMXCT-LZLYRXPVSA-N	1	0	355.486	1.874	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)NCC[C@@H]2CN(c3ccc(C#N)nc3)C[C@H]2C)C1	ZINC001092584118	955729750	/nfs/dbraw/zinc/72/97/50/955729750.db2.gz	HSJUDDGSMLANDS-BRWVUGGUSA-N	1	0	355.486	1.874	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)NCC[C@@H]2CN(c3cncc(C#N)n3)C[C@H]2C)C1	ZINC001092584230	955731372	/nfs/dbraw/zinc/73/13/72/955731372.db2.gz	LJCGVUYXKLSXDM-BZUAXINKSA-N	1	0	356.474	1.269	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1	ZINC001197161092	972127014	/nfs/dbraw/zinc/12/70/14/972127014.db2.gz	JVMVXLKYNZSSAW-NNPSNHGLSA-N	1	0	365.518	1.301	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1C	ZINC001092617188	955830065	/nfs/dbraw/zinc/83/00/65/955830065.db2.gz	FZURAIZQIGTSKM-TVFCKZIOSA-N	1	0	363.502	1.274	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CCNc2nccnc2C#N)C1	ZINC001092623946	955867329	/nfs/dbraw/zinc/86/73/29/955867329.db2.gz	SDUIZVNCYMRFDZ-HUUCEWRRSA-N	1	0	358.490	1.975	20	30		FDEDRO
CCN1C[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)CC1=O	ZINC001092654956	955908365	/nfs/dbraw/zinc/90/83/65/955908365.db2.gz	IVFMSXNFPKEXFG-ATZDWAIDSA-N	1	0	368.481	1.611	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3[nH]ccc3C3CC3)[C@H](C)C2)C1=O	ZINC001092669041	955962762	/nfs/dbraw/zinc/96/27/62/955962762.db2.gz	XVJIVSNARWJAFW-KYJSFNMBSA-N	1	0	370.497	1.977	20	30		FDEDRO
Cc1cc(C#N)nc(NC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C)n1	ZINC001092670760	955969468	/nfs/dbraw/zinc/96/94/68/955969468.db2.gz	NSPQLNDUHVHVHU-UKRRQHHQSA-N	1	0	356.474	1.505	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1CNc1ccnc(C#N)n1	ZINC001092675103	955983547	/nfs/dbraw/zinc/98/35/47/955983547.db2.gz	UDLFVOBWXWJGDI-HUUCEWRRSA-N	1	0	358.490	1.254	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1C	ZINC001092678202	955997918	/nfs/dbraw/zinc/99/79/18/955997918.db2.gz	ZGLIVJWKSAPHGV-SJLPKXTDSA-N	1	0	368.481	1.871	20	30		FDEDRO
C[NH+](C)CC1(C(=O)NC[C@]23CCC[C@H]2N(c2ccc(C#N)nn2)CC3)CC1	ZINC001092709743	956138900	/nfs/dbraw/zinc/13/89/00/956138900.db2.gz	DWGJOCRLIQKTLP-VQIMIIECSA-N	1	0	368.485	1.555	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1OCCO[C@H]1C	ZINC001092691473	956205356	/nfs/dbraw/zinc/20/53/56/956205356.db2.gz	MZGFVKQXOCMGDT-BWPNAZKDSA-N	1	0	356.466	1.526	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@@H]1CCC(=O)NC1	ZINC001092760810	956298035	/nfs/dbraw/zinc/29/80/35/956298035.db2.gz	RDECQUBDRYPGIG-QGPMSJSTSA-N	1	0	354.454	1.269	20	30		FDEDRO
CCc1cc(C(=O)N2CC[C@@H]3C[N@H+](CCOC)CCO[C@@H]3C2)ccc1C#N	ZINC001197276478	972185982	/nfs/dbraw/zinc/18/59/82/972185982.db2.gz	ZVEJVDYCNHSBBT-WOJBJXKFSA-N	1	0	371.481	1.930	20	30		FDEDRO
Cc1nn(-c2cc[nH+]cc2)cc1C=NNc1ccccc1S(N)(=O)=O	ZINC000773121928	956559298	/nfs/dbraw/zinc/55/92/98/956559298.db2.gz	YGZZHXFGIJHDGD-UHFFFAOYSA-N	1	0	356.411	1.669	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]2C)cc1	ZINC001092874623	956614352	/nfs/dbraw/zinc/61/43/52/956614352.db2.gz	RHHYZZVMBNSQHB-YLJYHZDGSA-N	1	0	367.493	1.978	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccnc(OC)n3)C[C@H]2C)cc1	ZINC001092874891	956615935	/nfs/dbraw/zinc/61/59/35/956615935.db2.gz	DUIUVSUKMQFWGS-CRAIPNDOSA-N	1	0	364.449	1.964	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)[C@H]1CCNC1=O	ZINC001092883180	956655042	/nfs/dbraw/zinc/65/50/42/956655042.db2.gz	CUVVJJYEGVZYPO-WQVCFCJDSA-N	1	0	358.417	1.018	20	30		FDEDRO
C[NH+](C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncc(C#N)cc1F)C1CC1	ZINC001092886320	956672599	/nfs/dbraw/zinc/67/25/99/956672599.db2.gz	HLFMPIXLTLTDHO-BSWAZPDLSA-N	1	0	357.433	1.658	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(-n3cnnn3)cn2)[C@H](C)C1	ZINC001092852977	956685808	/nfs/dbraw/zinc/68/58/08/956685808.db2.gz	XUKYRMFJNMKMAV-DGCLKSJQSA-N	1	0	361.837	1.108	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H](CNC(=O)c3csnn3)[C@H](C)C2)cc1C#N	ZINC001092862930	956727243	/nfs/dbraw/zinc/72/72/43/956727243.db2.gz	CGEVIARNGQZEJX-IUODEOHRSA-N	1	0	371.466	1.916	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)c1c[nH]c(=O)cn1	ZINC001092921384	956791862	/nfs/dbraw/zinc/79/18/62/956791862.db2.gz	XYDBLDWCSFPVAF-CZUORRHYSA-N	1	0	351.410	1.139	20	30		FDEDRO
Cc1nc[nH]c(=O)c1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C	ZINC001092903130	956844075	/nfs/dbraw/zinc/84/40/75/956844075.db2.gz	DNRITHKHUHRPBV-CXAGYDPISA-N	1	0	365.437	1.860	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[N@H+]([C@@H](C)C(=O)NC3CC3)C[C@H]2C)c1	ZINC001092954333	956893264	/nfs/dbraw/zinc/89/32/64/956893264.db2.gz	TWPNZPDJBRXNSD-JKIFEVAISA-N	1	0	354.454	1.028	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N)[NH+]1CCCC1	ZINC001092982564	956989292	/nfs/dbraw/zinc/98/92/92/956989292.db2.gz	YDNLNGCIQQPCHH-LMSBXDPUSA-N	1	0	368.485	1.695	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3oc(C)nc3C)C[C@H]2C)nn1	ZINC001093035149	957252934	/nfs/dbraw/zinc/25/29/34/957252934.db2.gz	PKRUOKUUQCJREN-IUODEOHRSA-N	1	0	358.446	1.567	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](CCC[C@@H]3CCOC3)C[C@H]2C)nn1	ZINC001093035223	957254059	/nfs/dbraw/zinc/25/40/59/957254059.db2.gz	SVTIMORNEHKNOQ-BRWVUGGUSA-N	1	0	361.490	1.579	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@H]2C)nn1	ZINC001093040063	957264501	/nfs/dbraw/zinc/26/45/01/957264501.db2.gz	GHOZIEAJTMGNEH-ZACQAIPSSA-N	1	0	361.490	1.721	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1	ZINC001093057410	957277467	/nfs/dbraw/zinc/27/74/67/957277467.db2.gz	NUCVRSVKRYNDFH-HZMVEIRTSA-N	1	0	354.458	1.449	20	30		FDEDRO
N#Cc1nccc(N2C[C@@H]3CCC[C@]3(NC(=O)CCC[NH+]3CCCC3)C2)n1	ZINC001093087406	957291462	/nfs/dbraw/zinc/29/14/62/957291462.db2.gz	FSTZQNJNRZHHBU-JXFKEZNVSA-N	1	0	368.485	1.699	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2CN(c2ncccc2C#N)C3)CC1	ZINC001093105079	957460960	/nfs/dbraw/zinc/46/09/60/957460960.db2.gz	WCJOIJJHKMJXOV-JXFKEZNVSA-N	1	0	353.470	1.770	20	30		FDEDRO
COc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)nn1	ZINC001093107319	957485392	/nfs/dbraw/zinc/48/53/92/957485392.db2.gz	DQUMSZJTXIQLFP-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2nccnc2C#N)C1	ZINC001093114245	957552436	/nfs/dbraw/zinc/55/24/36/957552436.db2.gz	RWGKKIMFAWDYGU-DGCLKSJQSA-N	1	0	370.379	1.491	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3cnnn3CC)C[C@H]2C)nc1	ZINC001093138159	957631273	/nfs/dbraw/zinc/63/12/73/957631273.db2.gz	QRFZMFUFMMSVKC-GDBMZVCRSA-N	1	0	352.442	1.172	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@H]2C)cn1	ZINC001093142767	957639719	/nfs/dbraw/zinc/63/97/19/957639719.db2.gz	BDTUYHMQKQTHFK-GDBMZVCRSA-N	1	0	371.872	1.911	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC3CCCC3)C[C@H]2C)cn1	ZINC001093142970	957641023	/nfs/dbraw/zinc/64/10/23/957641023.db2.gz	LQTOFSGJBJSLQS-NVXWUHKLSA-N	1	0	368.481	1.419	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3cc4n(n3)CCC4)C[C@H]2C)cn1	ZINC001093143303	957641618	/nfs/dbraw/zinc/64/16/18/957641618.db2.gz	YXFVWGPQBSTZGZ-NVXWUHKLSA-N	1	0	363.465	1.704	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)c3[nH]cnc3CC)[C@H](C)C2)C1=O	ZINC001093165666	957718557	/nfs/dbraw/zinc/71/85/57/957718557.db2.gz	CZUVNIBRUBKJON-IIAWOOMASA-N	1	0	359.474	1.057	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)c1ccn(C)n1	ZINC001093197390	957766064	/nfs/dbraw/zinc/76/60/64/957766064.db2.gz	NGJQFDJKFBVVCU-NVXWUHKLSA-N	1	0	367.453	1.820	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1CCC(=O)N(C)C1	ZINC001093230462	957865623	/nfs/dbraw/zinc/86/56/23/957865623.db2.gz	GANPYBSOKVAYIO-MISYRCLQSA-N	1	0	367.493	1.591	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3cc(C)n[nH]3)C[C@H]2C)C1=O	ZINC001093271105	957937880	/nfs/dbraw/zinc/93/78/80/957937880.db2.gz	FSXFPSREUACJOW-FVQBIDKESA-N	1	0	359.474	1.193	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)C3CCOCC3)C[C@H]2C)C1=O	ZINC001093271600	957938498	/nfs/dbraw/zinc/93/84/98/957938498.db2.gz	PXEJMSWSTLUAKR-KBAYOESNSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3cncs3)C[C@H]2C)C1=O	ZINC001093272775	957941042	/nfs/dbraw/zinc/94/10/42/957941042.db2.gz	WBBGNACBQAOUNT-RBSFLKMASA-N	1	0	362.499	1.618	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)C1=O	ZINC001093274066	957943969	/nfs/dbraw/zinc/94/39/69/957943969.db2.gz	KNSUHEZOSLXBPT-RKVPGOIHSA-N	1	0	369.469	1.361	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)c2ccc(CC)cc2)C1	ZINC001197567555	972307152	/nfs/dbraw/zinc/30/71/52/972307152.db2.gz	SHMZRMNYJAIBFT-RTBURBONSA-N	1	0	360.498	1.891	20	30		FDEDRO
C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1	ZINC001093373971	958014862	/nfs/dbraw/zinc/01/48/62/958014862.db2.gz	WHJJGWYIULVZTF-QRQLOZEOSA-N	1	0	361.530	1.985	20	30		FDEDRO
C=CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)CCO2	ZINC001093403216	958023284	/nfs/dbraw/zinc/02/32/84/958023284.db2.gz	JIKAKSFFULDDPC-VJULDXEBSA-N	1	0	364.486	1.354	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCOC2(CCC([NH2+]CCO)CC2)C1	ZINC001093397872	958036672	/nfs/dbraw/zinc/03/66/72/958036672.db2.gz	GURUEPYFFGZKGB-ISXWCOSWSA-N	1	0	352.475	1.090	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnsn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093433703	958061981	/nfs/dbraw/zinc/06/19/81/958061981.db2.gz	JLNSBIVSCNEINY-UTXMOHQDSA-N	1	0	350.488	1.694	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093435779	958066175	/nfs/dbraw/zinc/06/61/75/958066175.db2.gz	VRGNVPVBADNASP-XYVMCAHJSA-N	1	0	366.893	1.602	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C4CCC4)nn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093445372	958090065	/nfs/dbraw/zinc/09/00/65/958090065.db2.gz	BYHSZXXGXYZXBY-LBKNJMOBSA-N	1	0	371.485	1.216	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3nnc(C)[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093446769	958096113	/nfs/dbraw/zinc/09/61/13/958096113.db2.gz	LUGVLTUQIYQFGI-VVWQDTPRSA-N	1	0	361.490	1.198	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nn(C)cc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093446764	958096238	/nfs/dbraw/zinc/09/62/38/958096238.db2.gz	LTORRLLSXHQZQE-QQTQMKHKSA-N	1	0	360.502	1.884	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc4n(n3)CCO4)[C@H]2C(C)C)C[C@H]1O	ZINC001093448408	958107571	/nfs/dbraw/zinc/10/75/71/958107571.db2.gz	IXCJMQANGGFNGH-RRIFGTCXSA-N	1	0	360.458	1.041	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(F)cncc3F)[C@@H]2C(C)C)C[C@H]1O	ZINC001093448487	958109144	/nfs/dbraw/zinc/10/91/44/958109144.db2.gz	KGVDBGFAWNDOPF-LFEHRJTNSA-N	1	0	363.408	1.573	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cnn(C)c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093449238	958114420	/nfs/dbraw/zinc/11/44/20/958114420.db2.gz	NVNVSNCLZOXSNU-JYBIWHBTSA-N	1	0	360.502	1.423	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc4n3CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093450538	958125263	/nfs/dbraw/zinc/12/52/63/958125263.db2.gz	MZWWKEAOAHLDNG-ODZKNYGOSA-N	1	0	358.486	1.595	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3nc(CC)c[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093450757	958126512	/nfs/dbraw/zinc/12/65/12/958126512.db2.gz	OTJJCXPBNZFCIO-YKCBXCCJSA-N	1	0	360.502	1.667	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc4cc[nH]c4n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093451096	958131373	/nfs/dbraw/zinc/13/13/73/958131373.db2.gz	QYEYCMPBVMTYLH-IKVWTGGYSA-N	1	0	366.465	1.776	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3ccncc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093452091	958138631	/nfs/dbraw/zinc/13/86/31/958138631.db2.gz	CMVFJYKIKMUQLJ-RMVXJAJNSA-N	1	0	355.482	1.614	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CCF)C3)[C@H]2C(C)C)c1	ZINC001093464112	958198231	/nfs/dbraw/zinc/19/82/31/958198231.db2.gz	CFNPGJRMAMINSO-MLYOOKFZSA-N	1	0	359.445	1.612	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)CC2CC[NH+](C)CC2)C[C@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001093464224	958199431	/nfs/dbraw/zinc/19/94/31/958199431.db2.gz	ASHWHIFLMRKVID-JYBIWHBTSA-N	1	0	362.518	1.208	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001093465425	958204262	/nfs/dbraw/zinc/20/42/62/958204262.db2.gz	JOOBZJUJYRBUSQ-QQTQMKHKSA-N	1	0	362.518	1.208	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(COC)on3)[C@H]2C(C)C)C[C@H]1O	ZINC001093466139	958207630	/nfs/dbraw/zinc/20/76/30/958207630.db2.gz	LSKXJUAFHJKGIO-VXIBKDFQSA-N	1	0	361.442	1.034	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C(F)F)n[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093467088	958212314	/nfs/dbraw/zinc/21/23/14/958212314.db2.gz	SDRZUTAWESVYAA-ZXFNITATSA-N	1	0	366.412	1.560	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc4c(c3)CCO4)[C@H]2C(C)C)C[C@H]1O	ZINC001093468320	958218627	/nfs/dbraw/zinc/21/86/27/958218627.db2.gz	YZWFSZTUUAUVTF-HROGELHOSA-N	1	0	368.477	1.834	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc(C4CC4)nc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093468306	958218736	/nfs/dbraw/zinc/21/87/36/958218736.db2.gz	YNVUHJVZIZASPS-WIRSXHRWSA-N	1	0	368.481	1.567	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(CC)c[nH]c3=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001093468665	958220831	/nfs/dbraw/zinc/22/08/31/958220831.db2.gz	AUJOJVULZPDFID-NEYJZJCJSA-N	1	0	371.481	1.563	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(CCC)nn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093469944	958225944	/nfs/dbraw/zinc/22/59/44/958225944.db2.gz	NSUUFTGZKXKIOF-VYCZESIESA-N	1	0	361.490	1.454	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CC)C3)[C@@H]2C(C)C)nn1	ZINC001093470316	958228007	/nfs/dbraw/zinc/22/80/07/958228007.db2.gz	SPULHGOUIRCCPL-NWGLXNPWSA-N	1	0	361.490	1.454	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(CC)nn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093470413	958228270	/nfs/dbraw/zinc/22/82/70/958228270.db2.gz	UJQBTOFGGQNXTC-VYCZESIESA-N	1	0	361.490	1.454	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)nn(C)c3F)[C@H]2C(C)C)C[C@H]1O	ZINC001093471010	958231534	/nfs/dbraw/zinc/23/15/34/958231534.db2.gz	BNMAJINOEXCUAS-ZLHSVIROSA-N	1	0	364.465	1.633	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3conc3COC)[C@H]2C(C)C)C[C@H]1O	ZINC001093472373	958239221	/nfs/dbraw/zinc/23/92/21/958239221.db2.gz	KRWWZPMQQFVITB-VYCZESIESA-N	1	0	363.458	1.587	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(C(C)C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093473191	958242833	/nfs/dbraw/zinc/24/28/33/958242833.db2.gz	NFFRRZCCSKNRMB-MLYOOKFZSA-N	1	0	358.486	1.677	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(CC4CC4)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093474307	958247036	/nfs/dbraw/zinc/24/70/36/958247036.db2.gz	URACELCPLCYVFE-BNDYYXHWSA-N	1	0	370.497	1.506	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(CC)c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093474335	958247085	/nfs/dbraw/zinc/24/70/85/958247085.db2.gz	UVNKZLCSDHJXQJ-XSYGEPLQSA-N	1	0	358.486	1.424	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cccc(OC)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093477053	958255929	/nfs/dbraw/zinc/25/59/29/958255929.db2.gz	FXGQYYJFXSIKED-KRXUUXHPSA-N	1	0	370.493	1.837	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COc3cccc(C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093477286	958257527	/nfs/dbraw/zinc/25/75/27/958257527.db2.gz	GQIVGBIXYPAEMT-UGESXGAOSA-N	1	0	370.493	1.973	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH]nc3C(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001093452589	958258214	/nfs/dbraw/zinc/25/82/14/958258214.db2.gz	LFQJZSGIJJRELJ-ZTRFORPCSA-N	1	0	358.486	1.746	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(C)c3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001093453487	958263091	/nfs/dbraw/zinc/26/30/91/958263091.db2.gz	WDUKBPVYQKHBEX-PHXBYCTMSA-N	1	0	358.486	1.195	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C4CC4)on3)[C@H]2C(C)C)C[C@H]1O	ZINC001093454241	958267176	/nfs/dbraw/zinc/26/71/76/958267176.db2.gz	AOOLMWLBGMNGPZ-ZTRFORPCSA-N	1	0	357.454	1.765	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(OC)ccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093455393	958273216	/nfs/dbraw/zinc/27/32/16/958273216.db2.gz	MTPWRYABWRXXAU-SOAMZJECSA-N	1	0	359.470	1.856	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnc4n[nH]nc43)[C@H]2C(C)C)C[C@H]1O	ZINC001093457452	958280305	/nfs/dbraw/zinc/28/03/05/958280305.db2.gz	KBVNDOQJWICGBB-GTACMHHNSA-N	1	0	370.457	1.119	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3n[nH]c4c3CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093458297	958283558	/nfs/dbraw/zinc/28/35/58/958283558.db2.gz	NCGVAIRRAWOKKP-ZTRFORPCSA-N	1	0	356.470	1.111	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc4n[nH]nc4c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093477791	958290123	/nfs/dbraw/zinc/29/01/23/958290123.db2.gz	MSZPUQIPDZUYSL-XSYGEPLQSA-N	1	0	367.453	1.171	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccccc3F)[C@@H]2C(C)C)C[C@H]1O	ZINC001093477932	958291548	/nfs/dbraw/zinc/29/15/48/958291548.db2.gz	NWUPUUCCFIZQSV-VURPSTOHSA-N	1	0	358.457	1.968	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3cnn(C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093481070	958306351	/nfs/dbraw/zinc/30/63/51/958306351.db2.gz	SDZVQVGIRLBSOO-LFGUQSLTSA-N	1	0	360.502	1.505	20	30		FDEDRO
CC#CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@]23C[C@H]2COC3)CC1	ZINC001093487928	958310009	/nfs/dbraw/zinc/31/00/09/958310009.db2.gz	WERCNVGMOBWVLX-ROPHOZQPSA-N	1	0	357.498	1.186	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(OC2C[NH+](C[C@@H]3CCOC3)C2)CC1	ZINC001093576217	958333560	/nfs/dbraw/zinc/33/35/60/958333560.db2.gz	UVAZVOHOBMZCDE-IPELMVKDSA-N	1	0	364.486	1.306	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CCc3ccco3)C[C@H]2C)C1=O	ZINC001093634299	958395464	/nfs/dbraw/zinc/39/54/64/958395464.db2.gz	IIDKGFAEULHKKS-JFIYKMOQSA-N	1	0	359.470	1.683	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001093647854	958426283	/nfs/dbraw/zinc/42/62/83/958426283.db2.gz	IVBTUESYFVWEKN-QBIMZIAESA-N	1	0	361.417	1.297	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001093666437	958467751	/nfs/dbraw/zinc/46/77/51/958467751.db2.gz	LPBAAGAKZLQKAW-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093680592	958484109	/nfs/dbraw/zinc/48/41/09/958484109.db2.gz	PVVYPUJNYOAUJT-CZUORRHYSA-N	1	0	350.426	1.428	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2nc3ccccc3c(=O)n2C)[C@H](C)C1	ZINC001093678941	958531490	/nfs/dbraw/zinc/53/14/90/958531490.db2.gz	OKLJLYZMEWPHFI-RBSFLKMASA-N	1	0	367.453	1.277	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2-c2ccccc2)[C@H](C)C1	ZINC001093679195	958532830	/nfs/dbraw/zinc/53/28/30/958532830.db2.gz	RFHHBXIKCCCHND-BZUAXINKSA-N	1	0	352.442	1.611	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3oc(C)cc3C)C[C@H]2C)C1=O	ZINC001093699224	958563940	/nfs/dbraw/zinc/56/39/40/958563940.db2.gz	GVSHJLKPQPRZJR-DJIMGWMZSA-N	1	0	359.470	1.981	20	30		FDEDRO
CCCc1noc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)n1	ZINC001093700064	958568298	/nfs/dbraw/zinc/56/82/98/958568298.db2.gz	WSTLJZIWRIIMLA-TZMCWYRMSA-N	1	0	356.430	1.720	20	30		FDEDRO
CCc1nnc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)[nH]1	ZINC001093700072	958568646	/nfs/dbraw/zinc/56/86/46/958568646.db2.gz	XECYYVVFDXMAJS-MBNYWOFBSA-N	1	0	355.446	1.626	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3nccs3)c2)C1	ZINC001197682643	972358942	/nfs/dbraw/zinc/35/89/42/972358942.db2.gz	XZYSIBVUCHCELL-NWANDNLSSA-N	1	0	361.471	1.458	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2COC(=O)C2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093714995	958581152	/nfs/dbraw/zinc/58/11/52/958581152.db2.gz	IEGHLBUFIIMTQD-ZTFGCOKTSA-N	1	0	355.438	1.696	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001093715466	958582137	/nfs/dbraw/zinc/58/21/37/958582137.db2.gz	BAJGLRVTRACGCF-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]C[C@@H]1CCNC(=O)CC1	ZINC001093725739	958609143	/nfs/dbraw/zinc/60/91/43/958609143.db2.gz	BVWFQBYIEWWWAA-IJEWVQPXSA-N	1	0	357.458	1.100	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](O)C(C)C)C[C@H]2C)cc1C#N	ZINC001093751822	958676387	/nfs/dbraw/zinc/67/63/87/958676387.db2.gz	LFIIKQPYWWIEHC-LSBZLQRGSA-N	1	0	359.470	1.768	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H](C[NH2+]Cc3cc(C#N)ccc3F)[C@H](C)C2)o1	ZINC001093754696	958681956	/nfs/dbraw/zinc/68/19/56/958681956.db2.gz	JQSZATBVILREPH-MLGOLLRUSA-N	1	0	371.416	1.816	20	30		FDEDRO
CNC(=O)c1ccc(C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)cc1	ZINC001093762943	958702975	/nfs/dbraw/zinc/70/29/75/958702975.db2.gz	NYXQDGXYWPQHED-DNVCBOLYSA-N	1	0	353.466	1.644	20	30		FDEDRO
COc1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)s3)[C@H](C)C2)ncn1	ZINC001093774784	958742763	/nfs/dbraw/zinc/74/27/63/958742763.db2.gz	VOYFQTDMNDUDOP-CHWSQXEVSA-N	1	0	371.466	1.916	20	30		FDEDRO
C#C[C@H](NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCCO1	ZINC000773219049	958799282	/nfs/dbraw/zinc/79/92/82/958799282.db2.gz	RJNUFLLNZHKYTO-PMACEKPBSA-N	1	0	370.497	1.679	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093833003	958926985	/nfs/dbraw/zinc/92/69/85/958926985.db2.gz	MNQOQXORPGNSNL-OHQAAIJDSA-N	1	0	357.454	1.546	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cc3n(n2)CCC3)[C@H](C)C1	ZINC001093832991	958927509	/nfs/dbraw/zinc/92/75/09/958927509.db2.gz	MBJYVNVYIPGAMK-HLIPFELVSA-N	1	0	369.513	1.111	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCN(C)C(=O)C2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093869237	959052140	/nfs/dbraw/zinc/05/21/40/959052140.db2.gz	RLQCPPXAEGEIIG-AYOQOUSVSA-N	1	0	368.481	1.611	20	30		FDEDRO
CCN1CCOC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1	ZINC001093881246	959105792	/nfs/dbraw/zinc/10/57/92/959105792.db2.gz	PFPGZWHGDWBHQG-NSISKUIASA-N	1	0	370.497	1.463	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)CC2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093943482	959305704	/nfs/dbraw/zinc/30/57/04/959305704.db2.gz	JKBBVIGCQYVBBM-JTDSTZFVSA-N	1	0	368.481	1.659	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093985944	959424462	/nfs/dbraw/zinc/42/44/62/959424462.db2.gz	MLHWIKJWVMHNFS-FQELHTAISA-N	1	0	368.481	1.659	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001093999567	959480052	/nfs/dbraw/zinc/48/00/52/959480052.db2.gz	AMEXWDOLNCNLRP-IUODEOHRSA-N	1	0	369.400	1.279	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3ccc(Cl)[nH]3)C[C@H]2C)C1=O	ZINC001094026089	959547055	/nfs/dbraw/zinc/54/70/55/959547055.db2.gz	SVSRMRYQMRITQW-MCIONIFRSA-N	1	0	364.877	1.753	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C(C)(C)C(F)F)C[C@H]2C)C1=O	ZINC001094028057	959549691	/nfs/dbraw/zinc/54/96/91/959549691.db2.gz	QCFOLKPIILYKSG-MGPQQGTHSA-N	1	0	357.445	1.749	20	30		FDEDRO
N#Cc1cccc(CN2C[C@@H](O)[C@H](NC(=O)COc3ccsc3)C2)c1	ZINC001197832962	972452374	/nfs/dbraw/zinc/45/23/74/972452374.db2.gz	AEQDFSPRMVIVFE-IAGOWNOFSA-N	1	0	357.435	1.360	20	30		FDEDRO
C[C@@H]1CN(C(=O)COC2CCOCC2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001094084077	959733931	/nfs/dbraw/zinc/73/39/31/959733931.db2.gz	JNSFOSLTVFELSK-VQIMIIECSA-N	1	0	371.481	1.938	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]CC3CC(OCC)C3)[C@H](C)C2)nn1	ZINC001094095113	959770700	/nfs/dbraw/zinc/77/07/00/959770700.db2.gz	GEHHVEPAKPSPLE-KZYLPZIUSA-N	1	0	361.490	1.577	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3cnc(C)cn3)[C@H](C)C2)nn1	ZINC001094099967	959784648	/nfs/dbraw/zinc/78/46/48/959784648.db2.gz	UWIPWHDBEBNQRA-GDBMZVCRSA-N	1	0	369.473	1.451	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001094113890	959802406	/nfs/dbraw/zinc/80/24/06/959802406.db2.gz	IWILNXAFEPQSIZ-YLJYHZDGSA-N	1	0	370.497	1.465	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3cnc(C)nc3C)C[C@H]2C)C1=O	ZINC001094117061	959811403	/nfs/dbraw/zinc/81/14/03/959811403.db2.gz	GDKNFQQTIUDTGR-QBIMZIAESA-N	1	0	371.485	1.178	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)c2ccncn2)C[C@H]1C	ZINC001094119478	959818460	/nfs/dbraw/zinc/81/84/60/959818460.db2.gz	ZJEVLIQFQADZLI-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
C[N@@H+]1C[C@H](C(=O)NCCNc2ncc(C#N)cc2F)[C@@H](c2ccccc2)C1	ZINC001094132255	959855695	/nfs/dbraw/zinc/85/56/95/959855695.db2.gz	XRUNUQSNQAMQEM-SJORKVTESA-N	1	0	367.428	1.966	20	30		FDEDRO
CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3cc(C#N)ccc3F)[C@H](C)C2)nn1	ZINC001094138402	959874958	/nfs/dbraw/zinc/87/49/58/959874958.db2.gz	HTBKSEZNUQPQLC-CZUORRHYSA-N	1	0	370.432	1.807	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)c3nnc(CC)[nH]3)[C@H](C)C2)nc1	ZINC001094174432	959977511	/nfs/dbraw/zinc/97/75/11/959977511.db2.gz	IIFBXAIAFYEYMM-IJEWVQPXSA-N	1	0	366.469	1.802	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)C2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001094243064	960168792	/nfs/dbraw/zinc/16/87/92/960168792.db2.gz	SVIMOOBVZXVYGQ-ATZDWAIDSA-N	1	0	368.481	1.611	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(OC)cc[nH]c2=O)C1	ZINC001197819629	972494815	/nfs/dbraw/zinc/49/48/15/972494815.db2.gz	IEHUEPWGZYIXHR-ZIAGYGMSSA-N	1	0	351.447	1.541	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@H]4COC(=O)N4)CCC[C@@H]23)cc1	ZINC001094407537	960387663	/nfs/dbraw/zinc/38/76/63/960387663.db2.gz	RFCKMOCEVNPOGV-MBOZVWFJSA-N	1	0	368.437	1.527	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@@]3(CNC(=O)c4n[nH]cc4C)CCC[C@@H]23)C1=O	ZINC001094410885	960395462	/nfs/dbraw/zinc/39/54/62/960395462.db2.gz	HNOVIRFGMISUPB-JXXFODFXSA-N	1	0	371.485	1.479	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)CCC[C@@H]12	ZINC001094414983	960403510	/nfs/dbraw/zinc/40/35/10/960403510.db2.gz	HNQYOTJAGZCYTC-ZSZQSSIHSA-N	1	0	357.458	1.309	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(C)nn(C)c3n1)C2	ZINC001110156929	960405216	/nfs/dbraw/zinc/40/52/16/960405216.db2.gz	GMFPKOHHLYUQFC-JLSDUUJJSA-N	1	0	369.469	1.814	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4cc[nH]cc-4c3=O)CCC[C@@H]12	ZINC001094426146	960426599	/nfs/dbraw/zinc/42/65/99/960426599.db2.gz	OACKFNOVSPLMFW-YLJYHZDGSA-N	1	0	350.422	1.531	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4nnnn4c3)CCC[C@@H]12	ZINC001094467582	960473864	/nfs/dbraw/zinc/47/38/64/960473864.db2.gz	AFVWBXBAYKGSDS-RHSMWYFYSA-N	1	0	360.849	1.851	20	30		FDEDRO
CC1([NH+]2CCOCC2)CCN(C(=O)Cc2ccc(OCC#N)cc2)CC1	ZINC000862959785	972513462	/nfs/dbraw/zinc/51/34/62/972513462.db2.gz	AZOTWNAYDGVTAS-UHFFFAOYSA-N	1	0	357.454	1.845	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnn4c3nc(C)cc4C)CCC[C@@H]12	ZINC001094484709	960570127	/nfs/dbraw/zinc/57/01/27/960570127.db2.gz	STEWJMREQRTTSG-YLJYHZDGSA-N	1	0	351.454	1.954	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(-n4cnnn4)cn3)CCC[C@@H]12	ZINC001094477887	960651341	/nfs/dbraw/zinc/65/13/41/960651341.db2.gz	LTGKAVWXDTWBEE-SJLPKXTDSA-N	1	0	353.430	1.218	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)c2ccccc2OC)C1	ZINC001197896913	972532042	/nfs/dbraw/zinc/53/20/42/972532042.db2.gz	YVZUPWDSWNQVJF-CGTJXYLNSA-N	1	0	362.470	1.553	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)CCC[C@@H]12	ZINC001094533338	960748243	/nfs/dbraw/zinc/74/82/43/960748243.db2.gz	DLTHHORGVPAJMB-ANTGDGSKSA-N	1	0	370.497	1.672	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C)nc4cc(C)nn43)CCC[C@@H]12	ZINC001094578582	960867474	/nfs/dbraw/zinc/86/74/74/960867474.db2.gz	JVDDIRNOBASLMX-YLJYHZDGSA-N	1	0	351.454	1.954	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2nnc(C)[nH]2)C1	ZINC001181525049	960904894	/nfs/dbraw/zinc/90/48/94/960904894.db2.gz	CRDDFOUEFJYFSS-JNNRSPCRSA-N	1	0	361.490	1.669	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCC(C)C)C2)C1	ZINC001094795385	961178486	/nfs/dbraw/zinc/17/84/86/961178486.db2.gz	NYBKLHJLITYJPJ-IEZWGBDMSA-N	1	0	363.502	1.415	20	30		FDEDRO
C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC	ZINC000773949325	961203515	/nfs/dbraw/zinc/20/35/15/961203515.db2.gz	VEHZNBTXKXGUIW-HNNXBMFYSA-N	1	0	372.469	1.256	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@]12C[C@H]1CCC2	ZINC001171866637	961334654	/nfs/dbraw/zinc/33/46/54/961334654.db2.gz	WYEOMIYCHBWCEM-QMTMVMCOSA-N	1	0	364.490	1.453	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+][C@H]3CCN4C(=O)CC[C@H]4C3)CC2)cc1	ZINC001172164039	961522218	/nfs/dbraw/zinc/52/22/18/961522218.db2.gz	XPTILNCXLKGMND-OALUTQOASA-N	1	0	366.465	1.906	20	30		FDEDRO
COCCOCCOCCOCC[NH2+][C@H](C)Cc1ccc(C#N)cc1	ZINC001172297695	961632874	/nfs/dbraw/zinc/63/28/74/961632874.db2.gz	RNPUWHABHXUZBP-QGZVFWFLSA-N	1	0	350.459	1.775	20	30		FDEDRO
C[C@@H](CCCC#N)[NH2+][C@@H]1CCc2c(ccc(=O)n2CCN2CCOCC2)C1	ZINC001172478995	961666390	/nfs/dbraw/zinc/66/63/90/961666390.db2.gz	GFBRDROLIZSIGV-PKOBYXMFSA-N	1	0	372.513	1.710	20	30		FDEDRO
COCCN1CC2(CC[NH+]([C@H](C)CCCC#N)CC2)[C@@H](COC)C1=O	ZINC001172497997	961688463	/nfs/dbraw/zinc/68/84/63/961688463.db2.gz	HWLVDIRGPASHOX-SJORKVTESA-N	1	0	351.491	1.902	20	30		FDEDRO
C=CCOC(=O)N1CCC2(C[NH+](C3CCN(C(=O)OC)CC3)C2)CC1	ZINC001172737347	961761272	/nfs/dbraw/zinc/76/12/72/961761272.db2.gz	KMLIUWAHZYBPBM-UHFFFAOYSA-N	1	0	351.447	1.938	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CCN(C3COC3)CC2)C[C@H]1C#N	ZINC001172973585	961858741	/nfs/dbraw/zinc/85/87/41/961858741.db2.gz	FXJCPQBCPYLXHP-CVEARBPZSA-N	1	0	364.490	1.731	20	30		FDEDRO
C=CCOC1CCC([N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C(N)=O)C2)CC1	ZINC001173327762	962005560	/nfs/dbraw/zinc/00/55/60/962005560.db2.gz	RGWOIUVFIYAQTF-UYSNPLJNSA-N	1	0	367.490	1.907	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+][C@H](C(N)=O)c3ccccc3)CC2)cc1	ZINC001173424250	962124933	/nfs/dbraw/zinc/12/49/33/962124933.db2.gz	WLPXNXSCNDOCQQ-IBGZPJMESA-N	1	0	362.433	1.979	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H](CO)c3ccccn3)CC2)cc1	ZINC001173424761	962127391	/nfs/dbraw/zinc/12/73/91/962127391.db2.gz	KHSJLWURUMFUQH-IBGZPJMESA-N	1	0	350.422	1.881	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H](CO)c3ccncc3)CC2)cc1	ZINC001173425579	962133866	/nfs/dbraw/zinc/13/38/66/962133866.db2.gz	YSCJQAHDPQOWIG-IBGZPJMESA-N	1	0	350.422	1.881	20	30		FDEDRO
C[C@]1(CO)CC[N@@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C[C@@H]1O	ZINC001173429886	962145684	/nfs/dbraw/zinc/14/56/84/962145684.db2.gz	FLGCMLUSWJGTNX-AZUAARDMSA-N	1	0	357.454	1.228	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H](C(N)=O)c3ccccc3)CC2)cc1	ZINC001173429748	962145918	/nfs/dbraw/zinc/14/59/18/962145918.db2.gz	WLPXNXSCNDOCQQ-LJQANCHMSA-N	1	0	362.433	1.979	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([N@@H+]3CCO[C@@]4(CCOC4)C3)CC2)cc1	ZINC001173430521	962146195	/nfs/dbraw/zinc/14/61/95/962146195.db2.gz	TWYTWQLUMIKNJZ-FQEVSTJZSA-N	1	0	355.438	1.654	20	30		FDEDRO
COCc1nn(C2CCN(C(=O)c3ccc(C#N)cc3)CC2)c2c1C[NH2+]C2	ZINC001173430876	962148507	/nfs/dbraw/zinc/14/85/07/962148507.db2.gz	KLIJYMXODDLSAQ-UHFFFAOYSA-N	1	0	365.437	1.982	20	30		FDEDRO
N#Cc1cccc2[nH]cc(CC(=O)N3CC[NH+](C4CCOCC4)CC3)c21	ZINC001182581501	962321784	/nfs/dbraw/zinc/32/17/84/962321784.db2.gz	OCNXORHYASHHJT-UHFFFAOYSA-N	1	0	352.438	1.905	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCNC(=O)C2CC2)C1	ZINC001182669411	962380349	/nfs/dbraw/zinc/38/03/49/962380349.db2.gz	OPTLOPFERKWWOI-DFYYWFRZSA-N	1	0	363.502	1.178	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCC[C@@H]2c2ccccc2)C1	ZINC001182670265	962381497	/nfs/dbraw/zinc/38/14/97/962381497.db2.gz	NDFASINMOIJYKV-VAMGGRTRSA-N	1	0	356.466	1.647	20	30		FDEDRO
COC(=O)[C@@H]1C[C@H](NC(=[NH2+])c2ccc3cc(O)ccc3c2)C[C@@H]1C(=O)OC	ZINC001173582635	962454051	/nfs/dbraw/zinc/45/40/51/962454051.db2.gz	OZDRGYVTNCPRHE-ACHSLPGTSA-N	1	0	370.405	1.992	20	30		FDEDRO
CCOC(=O)[C@@H]1CC12CCC([NH+]1CCN(c3nccnc3C#N)CC1)CC2	ZINC001173619374	962479431	/nfs/dbraw/zinc/47/94/31/962479431.db2.gz	YIYHBBFPVRNXCW-NGEICVOHSA-N	1	0	369.469	1.982	20	30		FDEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H](C)c1ccc(C#N)cc1)CC2	ZINC001182791099	962520454	/nfs/dbraw/zinc/52/04/54/962520454.db2.gz	CTOLCKVPYGKHSM-INIZCTEOSA-N	1	0	368.481	1.865	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1	ZINC000957522212	1013367479	/nfs/dbraw/zinc/36/74/79/1013367479.db2.gz	RKTBEHWBFBYRIN-VQIMIIECSA-N	1	0	353.466	1.269	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CCCn2c(CN(C)C(C)C)nnc2C1	ZINC001183042805	962754574	/nfs/dbraw/zinc/75/45/74/962754574.db2.gz	FHHILEPKYVZXGM-UHFFFAOYSA-N	1	0	360.506	1.503	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CCOC[C@@H]1c1nccc(N(CC)CC)n1	ZINC001183042750	962755120	/nfs/dbraw/zinc/75/51/20/962755120.db2.gz	CNFXPZORQTYPAW-QGZVFWFLSA-N	1	0	373.501	1.875	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](O)Cc2ccccc2)c1	ZINC001095282946	962766179	/nfs/dbraw/zinc/76/61/79/962766179.db2.gz	DTTKZCOQCMJKOC-XSYGEPLQSA-N	1	0	364.449	1.825	20	30		FDEDRO
N#Cc1c(N)nc(=NC2CC2)n(C2=CCC[N@H+](Cc3ccccc3)C2)c1N	ZINC001174393198	962825409	/nfs/dbraw/zinc/82/54/09/962825409.db2.gz	TWAVNHNPIWKSJZ-UHFFFAOYSA-N	1	0	361.453	1.729	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1	ZINC000773387010	962885993	/nfs/dbraw/zinc/88/59/93/962885993.db2.gz	HTFXAZRIDSCURX-KRWDZBQOSA-N	1	0	369.465	1.827	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)N1CCCC1=O)C2	ZINC001111502305	962922613	/nfs/dbraw/zinc/92/26/13/962922613.db2.gz	AITAWJYOFZBGBF-VXIBKDFQSA-N	1	0	363.502	1.558	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2OCC[C@H]2CC)C1	ZINC001183391843	963005816	/nfs/dbraw/zinc/00/58/16/963005816.db2.gz	RSKLENACJVVCQR-NUJGCVRESA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cc1ccccc1	ZINC001110181038	963065766	/nfs/dbraw/zinc/06/57/66/963065766.db2.gz	ONGKOFLSYSXXBR-FYQPLNBISA-N	1	0	358.482	1.904	20	30		FDEDRO
C[C@H](CCCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1	ZINC001175246049	963108563	/nfs/dbraw/zinc/10/85/63/963108563.db2.gz	UMXXSVNKYQXFET-NZSAHSFTSA-N	1	0	371.481	1.336	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCO[C@H]1C(=C)C	ZINC001175628891	963242184	/nfs/dbraw/zinc/24/21/84/963242184.db2.gz	HLYBGVRKFMQGMA-AOIWGVFYSA-N	1	0	365.518	1.925	20	30		FDEDRO
C[NH+](C)C[C@H]1COCCN1C(=O)[C@@H]1CCCCN1Cc1ccccc1C#N	ZINC001183830565	963299621	/nfs/dbraw/zinc/29/96/21/963299621.db2.gz	FPOMEVSLBOFEPR-PMACEKPBSA-N	1	0	370.497	1.702	20	30		FDEDRO
C=CCOc1ccc(/C=C\C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cc1OC	ZINC000773527775	963301079	/nfs/dbraw/zinc/30/10/79/963301079.db2.gz	FVZJZQGVMBOAAZ-XOWYPZSQSA-N	1	0	371.481	1.779	20	30		FDEDRO
CCCC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1	ZINC001110346917	963496776	/nfs/dbraw/zinc/49/67/76/963496776.db2.gz	SRSPHBVENPLHNR-KURKYZTESA-N	1	0	354.454	1.696	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2C[C@H]2Cc2ccccc2)C1	ZINC001184483670	963631730	/nfs/dbraw/zinc/63/17/30/963631730.db2.gz	PQTHJZZUTSJALK-CEXWTWQISA-N	1	0	355.482	1.748	20	30		FDEDRO
N#Cc1ccc(NCC[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)nc1	ZINC001177209688	963704391	/nfs/dbraw/zinc/70/43/91/963704391.db2.gz	QWZYEVNEOUWWHG-UHFFFAOYSA-N	1	0	365.846	1.456	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)CN(CCC#N)C(=O)OC(C)(C)C	ZINC001184860629	963741292	/nfs/dbraw/zinc/74/12/92/963741292.db2.gz	GVPUXVHYPWSAOS-HNNXBMFYSA-N	1	0	350.463	1.904	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CCC[NH2+]CC(=O)NC)CC1CCCC1	ZINC001177319721	963759062	/nfs/dbraw/zinc/75/90/62/963759062.db2.gz	RXUZXYNINSKTOR-MSOLQXFVSA-N	1	0	365.518	1.712	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CCC[NH2+]CC(N)=O)CC1CCCC1	ZINC001177320031	963759211	/nfs/dbraw/zinc/75/92/11/963759211.db2.gz	YQTINJNDFGZHRX-SJORKVTESA-N	1	0	351.491	1.451	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@]12C[C@H]1CCC2	ZINC001177368444	963781717	/nfs/dbraw/zinc/78/17/17/963781717.db2.gz	HNIKVRAFFYLDLT-WIYYLYMNSA-N	1	0	359.514	1.925	20	30		FDEDRO
C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1	ZINC001177416274	963822028	/nfs/dbraw/zinc/82/20/28/963822028.db2.gz	YPFMEWUCCQLURL-ZWKOTPCHSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)CNC(=O)c1cnccc1C(F)(F)F	ZINC001177752793	963959631	/nfs/dbraw/zinc/95/96/31/963959631.db2.gz	XXWNPCOEHCKKSP-LBPRGKRZSA-N	1	0	370.375	1.597	20	30		FDEDRO
CCC[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#Cc2ccccc2)C1	ZINC001185513699	963967422	/nfs/dbraw/zinc/96/74/22/963967422.db2.gz	NHIXPKHMPQDAJH-VAMGGRTRSA-N	1	0	367.493	1.781	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2nc(C)cs2)C1	ZINC001185758695	964089681	/nfs/dbraw/zinc/08/96/81/964089681.db2.gz	IDNIXZJRASBRAN-MCIONIFRSA-N	1	0	364.471	1.172	20	30		FDEDRO
C=CCCC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@H]3OCC[C@H]3C)C2)nn1	ZINC001186008129	964250635	/nfs/dbraw/zinc/25/06/35/964250635.db2.gz	PYTWPOPQLCRTNP-NXHRZFHOSA-N	1	0	361.490	1.922	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)C[N@H+]3CC[C@@H](O)C3)CC2)cc1Cl	ZINC001186045248	964277800	/nfs/dbraw/zinc/27/78/00/964277800.db2.gz	RJDZKTRGKRJEOD-CQSZACIVSA-N	1	0	363.845	1.648	20	30		FDEDRO
C[C@H]1[C@@H]([NH2+]CC#Cc2ccc(F)cc2)CCN1C(=O)[C@H]1C[C@@H](C)CC(=O)N1	ZINC001178722103	964360185	/nfs/dbraw/zinc/36/01/85/964360185.db2.gz	QXUKOCXPLXEZLJ-LVFSCSRESA-N	1	0	371.456	1.671	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC(C)(C)C)C1	ZINC001186243820	964371894	/nfs/dbraw/zinc/37/18/94/964371894.db2.gz	WMMPLRWWCHLQBO-VYDXJSESSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC12CCOCC2	ZINC001186409607	964477688	/nfs/dbraw/zinc/47/76/88/964477688.db2.gz	AFVAIECTMFWPME-KZNAEPCWSA-N	1	0	365.518	1.126	20	30		FDEDRO
CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2OCC[C@H]2C(C)C)CC12CCOCC2	ZINC001186373084	964480260	/nfs/dbraw/zinc/48/02/60/964480260.db2.gz	GIEFIQKZRJFHPW-FHWLQOOXSA-N	1	0	362.514	1.916	20	30		FDEDRO
C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2OCC[C@H]2C(C)C)CC12CCOCC2	ZINC001186374531	964482272	/nfs/dbraw/zinc/48/22/72/964482272.db2.gz	ZMUBGLIONGKODJ-FHWLQOOXSA-N	1	0	362.514	1.916	20	30		FDEDRO
C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccnn2C)CC12CCOCC2	ZINC001186434594	964509325	/nfs/dbraw/zinc/50/93/25/964509325.db2.gz	VPPVEXDFGXNPCJ-RCCFBDPRSA-N	1	0	370.497	1.392	20	30		FDEDRO
CC(=O)N1CCC([NH+]2CCC(C(=O)Nc3ccc(C#N)cc3O)CC2)CC1	ZINC001179013790	964629909	/nfs/dbraw/zinc/62/99/09/964629909.db2.gz	AWPPBHMTSVYUAB-UHFFFAOYSA-N	1	0	370.453	1.925	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)[C@]12C[C@H]1CCC2	ZINC001179076657	964703284	/nfs/dbraw/zinc/70/32/84/964703284.db2.gz	MNGSHHGUECBEKM-DNVCBOLYSA-N	1	0	364.490	1.455	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[C@H]1CCCO1	ZINC000773801006	964728321	/nfs/dbraw/zinc/72/83/21/964728321.db2.gz	ZBFWCZCGDDSYGG-QZTJIDSGSA-N	1	0	373.453	1.253	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N[C@H](C)CCC(C)C	ZINC001110384897	964781288	/nfs/dbraw/zinc/78/12/88/964781288.db2.gz	CIRGZOPYQFFRQY-TVFCKZIOSA-N	1	0	365.518	1.851	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@H](C)C(=O)NC(C)(C)CC	ZINC001110384924	964781720	/nfs/dbraw/zinc/78/17/20/964781720.db2.gz	DQXUPECCILEJBD-FPCVCCKLSA-N	1	0	351.491	1.604	20	30		FDEDRO
C[NH+]1CCN(c2ccccc2C(=O)N(O)C(=N)c2ccccc2N)CC1	ZINC001186897823	964817730	/nfs/dbraw/zinc/81/77/30/964817730.db2.gz	PTVSKBCOWLZOFI-UHFFFAOYSA-N	1	0	353.426	1.878	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCOCC(C)C)[C@@H]2C1	ZINC001187009863	964926573	/nfs/dbraw/zinc/92/65/73/964926573.db2.gz	NVSXZGSWYSGVRF-IXDOHACOSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+]CC(=O)N(C)CC1CC1	ZINC001179633735	964941170	/nfs/dbraw/zinc/94/11/70/964941170.db2.gz	JVDKTSTZCPJVPE-MSOLQXFVSA-N	1	0	365.518	1.712	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cc1ccc(F)cc1	ZINC001110390362	965056323	/nfs/dbraw/zinc/05/63/23/965056323.db2.gz	JZNIYRCGRLLXSF-MKXGPGLRSA-N	1	0	362.445	1.653	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@@H+](CCOc3ccc(OC)cc3)C[C@H]21	ZINC001187279977	965159093	/nfs/dbraw/zinc/15/90/93/965159093.db2.gz	HJCYSTHWERMLGD-QFBILLFUSA-N	1	0	360.454	1.809	20	30		FDEDRO
COc1ccc(COCC[N@@H+]2C[C@@H]3CCN(C(=O)[C@H](C)C#N)[C@@H]3C2)cc1	ZINC001187333616	965201963	/nfs/dbraw/zinc/20/19/63/965201963.db2.gz	DYYAAOFODFJEAK-HHXXYDBFSA-N	1	0	357.454	1.904	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)COc3ccccc3)C[C@H]21	ZINC001187320520	965242957	/nfs/dbraw/zinc/24/29/57/965242957.db2.gz	WNDHZMRHQOCFDM-YQVWRLOYSA-N	1	0	360.454	1.162	20	30		FDEDRO
COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)Nc1cnc(C#N)cn1	ZINC001180405787	965308916	/nfs/dbraw/zinc/30/89/16/965308916.db2.gz	FXPPSVYKXMICHU-JKSUJKDBSA-N	1	0	365.393	1.208	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]32)c1	ZINC001187455916	965369244	/nfs/dbraw/zinc/36/92/44/965369244.db2.gz	KDGIBMZQNYVBQA-SGMGOOAPSA-N	1	0	356.348	1.346	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3C[N@H+](CCCCCn4cncn4)C[C@H]32)c[nH]1	ZINC001187569412	965535634	/nfs/dbraw/zinc/53/56/34/965535634.db2.gz	KTKYBJOSSWOJNC-MAUKXSAKSA-N	1	0	367.457	1.495	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)c3ccccc3C)C[C@H]21	ZINC001187605817	965554845	/nfs/dbraw/zinc/55/48/45/965554845.db2.gz	UYAQUWLGWCUTFO-ZIFCJYIRSA-N	1	0	353.466	1.728	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CC[C@H]2C[N@H+](CCCOCC(F)(F)F)C[C@H]21	ZINC001187698716	965643659	/nfs/dbraw/zinc/64/36/59/965643659.db2.gz	OUNMIAMAMJVJDM-LZWOXQAQSA-N	1	0	364.408	1.815	20	30		FDEDRO
C[C@@H](C(=O)N1CCC[C@]2(C1)COCCN(c1cccc(C#N)n1)C2)[NH+](C)C	ZINC001180861040	965657919	/nfs/dbraw/zinc/65/79/19/965657919.db2.gz	ORADRGVVWLFVDM-JXFKEZNVSA-N	1	0	371.485	1.349	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C(N)=O)cc3)C[C@H]21	ZINC001187755532	965720681	/nfs/dbraw/zinc/72/06/81/965720681.db2.gz	OBFCVJJLAZEMIY-QKLQHJQFSA-N	1	0	357.454	1.145	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](CCCCCn3cncn3)C[C@H]21	ZINC001187865153	965810510	/nfs/dbraw/zinc/81/05/10/965810510.db2.gz	JYFIIEPFOAOZCQ-FGTMMUONSA-N	1	0	359.474	1.019	20	30		FDEDRO
C[C@H](CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21)NC(N)=O	ZINC001187912088	965859779	/nfs/dbraw/zinc/85/97/79/965859779.db2.gz	SSARYEZLGFMOBS-XOKHGSTOSA-N	1	0	355.442	1.038	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)c3ccc(CC)cc3)C[C@H]21	ZINC001187874309	965871275	/nfs/dbraw/zinc/87/12/75/965871275.db2.gz	RNYFMPUAYDPYPI-HBMCJLEFSA-N	1	0	370.493	1.855	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1	ZINC001187946410	965923927	/nfs/dbraw/zinc/92/39/27/965923927.db2.gz	NLLMGYBXJAUDCQ-VHDGCEQUSA-N	1	0	363.408	1.561	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(Cn4cccn4)o3)[C@@H]2C1	ZINC001187991763	965947767	/nfs/dbraw/zinc/94/77/67/965947767.db2.gz	WZRFFCAGYTWRFK-FUHWJXTLSA-N	1	0	370.453	1.873	20	30		FDEDRO
C=C(C)CCC(=O)N1CC[C@H]2CN(Cc3nc(-c4ccncn4)no3)C[C@H]21	ZINC001188080656	965996332	/nfs/dbraw/zinc/99/63/32/965996332.db2.gz	GBFLXPMEULCHIN-GOEBONIOSA-N	1	0	368.441	1.916	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N(C)C(C)C)C[C@H]21)OCC	ZINC001188095149	966004226	/nfs/dbraw/zinc/00/42/26/966004226.db2.gz	GRYNXIDFZGWKQX-KSZLIROESA-N	1	0	365.518	1.757	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCCN3C(=O)CCC3=O)[C@@H]2C1	ZINC001188132074	966048616	/nfs/dbraw/zinc/04/86/16/966048616.db2.gz	ZORSSXMPUPUMKV-YESZJQIVSA-N	1	0	361.486	1.803	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(-c4cccnc4)nn3)[C@@H]2C1	ZINC001188145159	966058711	/nfs/dbraw/zinc/05/87/11/966058711.db2.gz	WPELXILADYCTKQ-MAUKXSAKSA-N	1	0	352.442	1.775	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(=O)[nH]c4ncn(C)c43)[C@@H]2C1	ZINC001188173588	966076014	/nfs/dbraw/zinc/07/60/14/966076014.db2.gz	LNOJPMAGZMANFI-DZGCQCFKSA-N	1	0	355.442	1.786	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)[C@@H]2C1	ZINC001188337212	966216083	/nfs/dbraw/zinc/21/60/83/966216083.db2.gz	WTJBVJWTZRXUOY-YJNKXOJESA-N	1	0	362.392	1.832	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(c3)nnn4C)[C@@H]2C1	ZINC001188341428	966218263	/nfs/dbraw/zinc/21/82/63/966218263.db2.gz	GQSAOMOXBNDLOU-MAUKXSAKSA-N	1	0	355.442	1.317	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C(F)(F)F)ncn3)[C@@H]2C1	ZINC001188543790	966413597	/nfs/dbraw/zinc/41/35/97/966413597.db2.gz	MZYKCHBBBPPUFV-GXTWGEPZSA-N	1	0	370.375	1.844	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C	ZINC000964506591	1013655451	/nfs/dbraw/zinc/65/54/51/1013655451.db2.gz	PODYQLCDMAXJJZ-TVFCKZIOSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1	ZINC000775188584	966494531	/nfs/dbraw/zinc/49/45/31/966494531.db2.gz	CJZJXWFLGUITOV-INIZCTEOSA-N	1	0	374.485	1.068	20	30		FDEDRO
C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1	ZINC000775188586	966494857	/nfs/dbraw/zinc/49/48/57/966494857.db2.gz	CJZJXWFLGUITOV-MRXNPFEDSA-N	1	0	374.485	1.068	20	30		FDEDRO
C#CCCCCCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)COCCOC)C[C@H]21	ZINC001188807409	966594955	/nfs/dbraw/zinc/59/49/55/966594955.db2.gz	CMQOBDFLCKOSDC-IPMKNSEASA-N	1	0	366.502	1.127	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c(C)cc(C)[nH]c3=O)[C@@H]2C1	ZINC001188919684	966631457	/nfs/dbraw/zinc/63/14/57/966631457.db2.gz	ZKWKAWKBOAMHLR-FUHWJXTLSA-N	1	0	357.454	1.129	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN(CC(F)F)C3)[C@@H]2C1	ZINC001188963815	966677956	/nfs/dbraw/zinc/67/79/56/966677956.db2.gz	SFKRCCGCLWYUGJ-GVDBMIGSSA-N	1	0	369.456	1.146	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN(CC(F)F)C3)[C@@H]2C1	ZINC001188963818	966678131	/nfs/dbraw/zinc/67/81/31/966678131.db2.gz	SFKRCCGCLWYUGJ-YESZJQIVSA-N	1	0	369.456	1.146	20	30		FDEDRO
C=CCCCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCN(S(C)(=O)=O)C3)C[C@H]21	ZINC001189007218	966696634	/nfs/dbraw/zinc/69/66/34/966696634.db2.gz	PUUKTKSRGIVRJX-YESZJQIVSA-N	1	0	369.531	1.157	20	30		FDEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)c1cc(OC)ccc1C#N)CC2	ZINC001189073969	966749671	/nfs/dbraw/zinc/74/96/71/966749671.db2.gz	HEFWFOKGLNBRSA-UHFFFAOYSA-N	1	0	370.453	1.383	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+]([C@H](C)C(=O)N(CC)CC)C[C@H]32)c1	ZINC001189077896	966754156	/nfs/dbraw/zinc/75/41/56/966754156.db2.gz	XLCDZKMYOYECOD-HHXXYDBFSA-N	1	0	368.481	1.466	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(CC)cn3)[C@@H]2C1	ZINC001189181727	966807455	/nfs/dbraw/zinc/80/74/55/966807455.db2.gz	GLVYPOSFZOPQEB-HHXXYDBFSA-N	1	0	370.497	1.410	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3cn[nH]c3)[C@@H]2C1	ZINC001189375328	966926453	/nfs/dbraw/zinc/92/64/53/966926453.db2.gz	CMJYLNXPQRPTHT-ZWKOTPCHSA-N	1	0	371.485	1.076	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3cn4cccc(C)c4n3)[C@@H]2C1	ZINC001189420382	966966572	/nfs/dbraw/zinc/96/65/72/966966572.db2.gz	YJSBMRDPWLRPQE-PKOBYXMFSA-N	1	0	368.481	1.921	20	30		FDEDRO
COCCCOCC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001189723864	967178974	/nfs/dbraw/zinc/17/89/74/967178974.db2.gz	MDWCNEWBXIDQKD-RBUKOAKNSA-N	1	0	357.454	1.644	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1	ZINC000852360389	967250376	/nfs/dbraw/zinc/25/03/76/967250376.db2.gz	XXFDAEGTMNBDNH-FQEVSTJZSA-N	1	0	371.529	1.057	20	30		FDEDRO
COC(=O)N(C)CCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000852400926	967276143	/nfs/dbraw/zinc/27/61/43/967276143.db2.gz	AEISHCWWYJPZPR-UHFFFAOYSA-N	1	0	373.457	1.520	20	30		FDEDRO
CO[C@@]1(CO)CCC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1	ZINC000852410303	967281136	/nfs/dbraw/zinc/28/11/36/967281136.db2.gz	AFORSHFIGBIMHL-YWZLYKJASA-N	1	0	366.421	1.697	20	30		FDEDRO
Cn1cc(C[N@@H+]2CC[C@H](N3CCOC3=O)C2)c(-c2ccc(C#N)cc2)n1	ZINC000852438168	967309540	/nfs/dbraw/zinc/30/95/40/967309540.db2.gz	NESRSZZBMJKQST-KRWDZBQOSA-N	1	0	351.410	1.985	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCOC)CCOCC1	ZINC001110650840	967415825	/nfs/dbraw/zinc/41/58/25/967415825.db2.gz	AHYXLVTUQJZYEF-KURKYZTESA-N	1	0	364.486	1.191	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC[C@H]2CCOC2)CCOCC1	ZINC001110651348	967420427	/nfs/dbraw/zinc/42/04/27/967420427.db2.gz	ZYQQGYMOQPDHKT-MANSERQUSA-N	1	0	360.498	1.955	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C(C)=O)CCO3)[C@@H]2C1	ZINC001189986329	967477888	/nfs/dbraw/zinc/47/78/88/967477888.db2.gz	LOQOFGUFAMLRCA-IPMKNSEASA-N	1	0	363.502	1.513	20	30		FDEDRO
N#C[C@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)CCN1C1CC1	ZINC000852703525	967546342	/nfs/dbraw/zinc/54/63/42/967546342.db2.gz	QAFRDHMOCMESQU-OALUTQOASA-N	1	0	353.470	1.643	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c(cccc4OC)[nH]3)[C@@H]2C1	ZINC001190140018	967553225	/nfs/dbraw/zinc/55/32/25/967553225.db2.gz	KBXPEZYGJVAJAZ-HNAYVOBHSA-N	1	0	367.449	1.973	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(C)nc3)[C@@H]2C1	ZINC001190186097	967599831	/nfs/dbraw/zinc/59/98/31/967599831.db2.gz	XTQAVNZIBYDVTB-BPQIPLTHSA-N	1	0	356.470	1.156	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3nc4ncccn4n3)[C@@H]2C1	ZINC001190157450	967610054	/nfs/dbraw/zinc/61/00/54/967610054.db2.gz	JWVMVHVBRIBGAY-HRCADAONSA-N	1	0	354.458	1.554	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NC[C@H](O)COc1ccc(C(F)(F)F)cc1	ZINC000852824441	967636541	/nfs/dbraw/zinc/63/65/41/967636541.db2.gz	VVBRCQRQADBRGT-HNNXBMFYSA-N	1	0	370.371	1.564	20	30		FDEDRO
CC(C)(Oc1ccc(Br)cc1)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N	ZINC000852827479	967638667	/nfs/dbraw/zinc/63/86/67/967638667.db2.gz	JNUBNDONXBNPPK-MFKMUULPSA-N	1	0	352.232	1.834	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCC[C@H](CNC(=O)c2ccccc2)C1	ZINC000852828873	967639744	/nfs/dbraw/zinc/63/97/44/967639744.db2.gz	UGTRNYOQLKWGSY-GOSISDBHSA-N	1	0	353.466	1.658	20	30		FDEDRO
C=CC[NH+](CC=C)CCN1CCN(C(=O)N[C@H](C(=O)OC)C(C)C)CC1	ZINC001190234196	967649234	/nfs/dbraw/zinc/64/92/34/967649234.db2.gz	FYDMXXQTJTTXIG-KRWDZBQOSA-N	1	0	366.506	1.185	20	30		FDEDRO
COc1cc(OC)cc(N2CC[C@@H](CNC(=O)C#CC3CC[NH2+]CC3)C2)c1	ZINC000852872424	967679171	/nfs/dbraw/zinc/67/91/71/967679171.db2.gz	MAECHAOVTGSNEE-KRWDZBQOSA-N	1	0	371.481	1.649	20	30		FDEDRO
CC(C)(C)[C@@H](NC(=O)C#CC1CC[NH2+]CC1)c1nc(-c2nc[nH]n2)no1	ZINC000852885930	967689030	/nfs/dbraw/zinc/68/90/30/967689030.db2.gz	FIJDELUDJVQZCK-ZDUSSCGKSA-N	1	0	357.418	1.061	20	30		FDEDRO
COC(=O)c1cccc(NC2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)c1	ZINC000852890233	967692849	/nfs/dbraw/zinc/69/28/49/967692849.db2.gz	WWJFWOJKPZKYPP-UHFFFAOYSA-N	1	0	369.465	1.879	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)Nc1ccc2nc(N3CCOCC3)oc2c1	ZINC000852893153	967693870	/nfs/dbraw/zinc/69/38/70/967693870.db2.gz	FWIMGBODZWBXHG-UHFFFAOYSA-N	1	0	354.410	1.606	20	30		FDEDRO
C#CCC[NH+]1CCC(NS(=O)(=O)c2cn(CC3CC3)c(CC)n2)CC1	ZINC000853074821	967809348	/nfs/dbraw/zinc/80/93/48/967809348.db2.gz	CDVPGSWXBUKWIK-UHFFFAOYSA-N	1	0	364.515	1.622	20	30		FDEDRO
C#CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C(=O)N1CCN(C(=O)OCC)CC1	ZINC000853076139	967811566	/nfs/dbraw/zinc/81/15/66/967811566.db2.gz	IBZPKRILUYMXDB-HKUYNNGSSA-N	1	0	371.481	1.900	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2	ZINC001110661413	967840098	/nfs/dbraw/zinc/84/00/98/967840098.db2.gz	RVYFTPRGWFJANA-AKHDSKFASA-N	1	0	374.529	1.417	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccnc(-n4cncn4)c3)[C@@H]2C1	ZINC001190474366	967901617	/nfs/dbraw/zinc/90/16/17/967901617.db2.gz	WBLAVRUPAYVHRD-DLBZAZTESA-N	1	0	368.441	1.011	20	30		FDEDRO
C#C[C@H](NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1)C1CCOCC1	ZINC000853232358	967933839	/nfs/dbraw/zinc/93/38/39/967933839.db2.gz	AHXOTIPFAPCQCE-UXHICEINSA-N	1	0	371.481	1.615	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(C(=O)c3cccc(C#N)c3F)CC[C@@H]2C1	ZINC001190536960	967936125	/nfs/dbraw/zinc/93/61/25/967936125.db2.gz	ZEYZEPXJPHOVTP-NVXWUHKLSA-N	1	0	361.417	1.507	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCCCCS(N)(=O)=O)[C@@H]2C1	ZINC001190618125	967962382	/nfs/dbraw/zinc/96/23/82/967962382.db2.gz	QBMOPLYLOGPCSZ-YESZJQIVSA-N	1	0	371.547	1.723	20	30		FDEDRO
C[NH+](C)CCCNC(=S)NN=Cc1ccc(N2CCC(O)CC2)cc1	ZINC000853306409	967964508	/nfs/dbraw/zinc/96/45/08/967964508.db2.gz	WZBJBNPTGFSZQQ-UHFFFAOYSA-N	1	0	363.531	1.397	20	30		FDEDRO
C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC001190922401	968167643	/nfs/dbraw/zinc/16/76/43/968167643.db2.gz	QGPMQOVQEXSSGN-MJBXVCDLSA-N	1	0	350.381	1.832	20	30		FDEDRO
CC(C)n1ncnc1CO[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1	ZINC000853673614	968240804	/nfs/dbraw/zinc/24/08/04/968240804.db2.gz	ZAZGCGSIKPMKGF-UHFFFAOYSA-N	1	0	358.446	1.657	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@H](C)c2cccc(-n3cccn3)c2)CC1	ZINC000775431583	968259499	/nfs/dbraw/zinc/25/94/99/968259499.db2.gz	VYHKYKNIFGVERB-QGZVFWFLSA-N	1	0	351.454	1.300	20	30		FDEDRO
N#CCSCC(=O)N[C@@H]1C[N@@H+](CCCCOc2ccccc2)C[C@H]1O	ZINC001191149099	968298030	/nfs/dbraw/zinc/29/80/30/968298030.db2.gz	DAVMYHUBEJJYOB-IAGOWNOFSA-N	1	0	363.483	1.264	20	30		FDEDRO
OCCOCCOCCOC/C=N/C(O)[NH2+]CCCc1ccccc1	ZINC001191227617	968369409	/nfs/dbraw/zinc/36/94/09/968369409.db2.gz	VXYBAWUKASYCQR-UHFFFAOYSA-N	1	0	353.439	1.141	20	30		FDEDRO
CCN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@H]1CC[N@H+](C)C1	ZINC000853990995	968505690	/nfs/dbraw/zinc/50/56/90/968505690.db2.gz	ZFMSEVBMWDGYQG-QLFBSQMISA-N	1	0	365.478	1.481	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=O)NC[C@H]2CCC[N@H+]2CCOC)c1	ZINC000111834180	968528595	/nfs/dbraw/zinc/52/85/95/968528595.db2.gz	FSBFFJRLIVOKOU-QGZVFWFLSA-N	1	0	358.442	1.016	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH+]1CC(C)(c2nnc(-c3cccnc3)o2)C1	ZINC000854081231	968577305	/nfs/dbraw/zinc/57/73/05/968577305.db2.gz	SDUFAECAQBBESZ-UHFFFAOYSA-N	1	0	354.414	1.467	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(N(C)C)c2)C[C@H]1O	ZINC001191597796	968648328	/nfs/dbraw/zinc/64/83/28/968648328.db2.gz	CNXHITRTOVERNS-ATZDWAIDSA-N	1	0	361.486	1.395	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](CCCc2ccc(C(F)(F)F)cc2)C[C@H]1O	ZINC001191882753	968834959	/nfs/dbraw/zinc/83/49/59/968834959.db2.gz	XCEHUJVUDKSCPI-APHBMKBZSA-N	1	0	369.387	1.959	20	30		FDEDRO
CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)C#CC(C)(C)C	ZINC000854471848	968921393	/nfs/dbraw/zinc/92/13/93/968921393.db2.gz	VZQTZIRYILNXNI-UHFFFAOYSA-N	1	0	369.465	1.722	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1O	ZINC001192054288	968931665	/nfs/dbraw/zinc/93/16/65/968931665.db2.gz	PMTXHVNXYLGNRM-QZTJIDSGSA-N	1	0	354.491	1.337	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccc(F)cc2)C[C@H]1O	ZINC001192320858	969062623	/nfs/dbraw/zinc/06/26/23/969062623.db2.gz	NEXTWVYWZXGFFU-GUDVDZBRSA-N	1	0	362.445	1.084	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCCc2cccc(F)c2)C[C@H]1O	ZINC001192530081	969174805	/nfs/dbraw/zinc/17/48/05/969174805.db2.gz	JKPYVTQIIJMBEA-LMMKCTJWSA-N	1	0	350.434	1.247	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCc2ccc3ccccc3c2)C[C@H]1O	ZINC001192539924	969180243	/nfs/dbraw/zinc/18/02/43/969180243.db2.gz	KCXQOFSIKZGTEO-SJBKTWHCSA-N	1	0	368.477	1.871	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[N@@H+](CC)[C@@H]2CCNC2=O)CC1	ZINC000957713068	1013854947	/nfs/dbraw/zinc/85/49/47/1013854947.db2.gz	KGYWOSIBKPISMZ-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1C[N@H+](CC[C@H](C)OCc2ccccc2)C[C@H]1O	ZINC001192760927	969273317	/nfs/dbraw/zinc/27/33/17/969273317.db2.gz	ADPQDBHCIZJSBC-DFQSSKMNSA-N	1	0	358.482	1.803	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](N(C)CC(=O)NC2CCCC2)C1	ZINC001192794716	969301803	/nfs/dbraw/zinc/30/18/03/969301803.db2.gz	NZBNMSKIJKHNQR-LNLFQRSKSA-N	1	0	363.502	1.559	20	30		FDEDRO
Cc1ccc(OCCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C2)cc1C	ZINC001192804822	969307938	/nfs/dbraw/zinc/30/79/38/969307938.db2.gz	JLPNNQZXJPABMS-WOJBJXKFSA-N	1	0	358.482	1.893	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@H]1O	ZINC001192924820	969382327	/nfs/dbraw/zinc/38/23/27/969382327.db2.gz	PDQVTVJXTJPIRN-GUDVDZBRSA-N	1	0	368.518	1.870	20	30		FDEDRO
N#Cc1ccncc1C(=O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1	ZINC001192967963	969407567	/nfs/dbraw/zinc/40/75/67/969407567.db2.gz	NPMIVEGRFOCOCQ-UHFFFAOYSA-N	1	0	361.365	1.224	20	30		FDEDRO
N#Cc1ccncc1C(=O)N(Cc1cn2c(n1)CNCC2)c1ccccn1	ZINC001192972002	969412256	/nfs/dbraw/zinc/41/22/56/969412256.db2.gz	ZXNHXSAJAZEDSM-UHFFFAOYSA-N	1	0	359.393	1.495	20	30		FDEDRO
C#C[C@H]([NH2+][C@@H](C)CC(=O)N1CCC(C(=O)OCC)CC1)[C@@H]1CCCO1	ZINC000775573349	969492567	/nfs/dbraw/zinc/49/25/67/969492567.db2.gz	XXFCNWCSALMQGU-XIRDDKMYSA-N	1	0	350.459	1.337	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3cc[nH]cc-3c2=O)C1	ZINC001193344742	969645733	/nfs/dbraw/zinc/64/57/33/969645733.db2.gz	DRYSXYBOOVPAHW-QZTJIDSGSA-N	1	0	370.453	1.444	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1O)OCC	ZINC001193421797	969696872	/nfs/dbraw/zinc/69/68/72/969696872.db2.gz	IZRGHZQPPQCRFQ-GUDVDZBRSA-N	1	0	362.470	1.212	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCNC(=O)C2CC2)C1	ZINC001193498566	969717410	/nfs/dbraw/zinc/71/74/10/969717410.db2.gz	FCVFHXGZNZXYRB-IAGOWNOFSA-N	1	0	351.491	1.201	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3ncncc3C2)C1	ZINC001193670919	969803774	/nfs/dbraw/zinc/80/37/74/969803774.db2.gz	ZBTXROPZBKMOBS-KFKAGJAMSA-N	1	0	358.486	1.489	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](C[C@H](O)CCc3ccccc3)C[C@H]2O)CCC1	ZINC001193684487	969810222	/nfs/dbraw/zinc/81/02/22/969810222.db2.gz	ARIRGGFGFACISS-VAMGGRTRSA-N	1	0	370.493	1.335	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](C[C@H](O)c3ccc(CC)cc3)C[C@H]2O)CCC1	ZINC001193686131	969812353	/nfs/dbraw/zinc/81/23/53/969812353.db2.gz	VOGDDQWBAUBCPE-HSALFYBXSA-N	1	0	370.493	1.637	20	30		FDEDRO
CC[N@@H+](Cc1cccc(C#N)c1)CC1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1	ZINC000957753252	1013912427	/nfs/dbraw/zinc/91/24/27/1013912427.db2.gz	FVTHUNHQBAWXDX-MOPGFXCFSA-N	1	0	368.481	1.740	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCCc2ccccc2)C[C@H]1O	ZINC001193849641	969895798	/nfs/dbraw/zinc/89/57/98/969895798.db2.gz	MQDUTGHKVCXRJQ-QHAWAJNXSA-N	1	0	369.509	1.268	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC(c3ccccc3)C2)C1	ZINC001194265768	970086808	/nfs/dbraw/zinc/08/68/08/970086808.db2.gz	YHVGBBZSEPBMAJ-PEVDHWGLSA-N	1	0	358.482	1.934	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nnc3ccccc3n2)C1	ZINC001194737771	970344049	/nfs/dbraw/zinc/34/40/49/970344049.db2.gz	RRSQECORVWIACP-IAGOWNOFSA-N	1	0	357.458	1.770	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nncn3CC2)C1	ZINC001194816154	970440615	/nfs/dbraw/zinc/44/06/15/970440615.db2.gz	TYZDOOHQIYKPNA-GVDBMIGSSA-N	1	0	363.506	1.362	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC(F)(F)CC1	ZINC001110465420	970657445	/nfs/dbraw/zinc/65/74/45/970657445.db2.gz	CBFAEJLINDANBP-OAGGEKHMSA-N	1	0	367.440	1.673	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCC(F)(F)C1	ZINC001110465566	970661620	/nfs/dbraw/zinc/66/16/20/970661620.db2.gz	JGJBNDUJULZLNX-TUVASFSCSA-N	1	0	353.413	1.283	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC/C=C/c1ccccc1	ZINC001110465815	970667081	/nfs/dbraw/zinc/66/70/81/970667081.db2.gz	UYIWAYVEOJXOAB-NUROLSIZSA-N	1	0	365.477	1.951	20	30		FDEDRO
COCC#CCN1C[C@@H](O)[C@H](NC(=O)CCc2ccc(C)c(Cl)c2)C1	ZINC001195081418	970673372	/nfs/dbraw/zinc/67/33/72/970673372.db2.gz	QORBOFCJEYJSPJ-QZTJIDSGSA-N	1	0	364.873	1.392	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)nc(C(C)C)[nH]c2=O)C1	ZINC001195189968	970730806	/nfs/dbraw/zinc/73/08/06/970730806.db2.gz	NGFNCQBIKIWBML-NWANDNLSSA-N	1	0	362.474	1.744	20	30		FDEDRO
Cn1cnnc1CC1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1	ZINC001197947460	972584805	/nfs/dbraw/zinc/58/48/05/972584805.db2.gz	KKVHGWDBOPYVSD-UHFFFAOYSA-N	1	0	352.442	1.258	20	30		FDEDRO
CN(CCC[NH+](C)C)Cc1ccc(C(=O)Nc2cn(C)nc2C#N)cc1	ZINC001198018377	972644756	/nfs/dbraw/zinc/64/47/56/972644756.db2.gz	OPUDDUDROYQYKJ-UHFFFAOYSA-N	1	0	354.458	1.928	20	30		FDEDRO
COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000775810872	972673344	/nfs/dbraw/zinc/67/33/44/972673344.db2.gz	JUHZIFAELQIWDX-PVAVHDDUSA-N	1	0	361.442	1.754	20	30		FDEDRO
COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CC(=O)NC2(C#N)CCCCC2)C1	ZINC000775812776	972725733	/nfs/dbraw/zinc/72/57/33/972725733.db2.gz	UHSQDOWYSVBACZ-LSDHHAIUSA-N	1	0	350.463	1.786	20	30		FDEDRO
COC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000775817895	972751478	/nfs/dbraw/zinc/75/14/78/972751478.db2.gz	VCPDSJZYJMAPPX-YOEHRIQHSA-N	1	0	358.442	1.631	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](C[C@H](OCC)C2CC2)C[C@H]1O	ZINC001198134246	972776344	/nfs/dbraw/zinc/77/63/44/972776344.db2.gz	PHUHRRRUOIPQBM-AQNXPRMDSA-N	1	0	356.466	1.187	20	30		FDEDRO
Cc1cc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c(C)n1-c1ccc(C#N)cc1	ZINC000863323318	972802263	/nfs/dbraw/zinc/80/22/63/972802263.db2.gz	KVULYMWGCARAGX-GOSISDBHSA-N	1	0	352.438	1.762	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F	ZINC001114819155	1014058542	/nfs/dbraw/zinc/05/85/42/1014058542.db2.gz	KTZCOXJCHSCFDU-SXPCIFIFSA-N	1	0	360.404	1.765	20	30		FDEDRO
C=CCn1nnn(CN2CCC(CC)([NH+]3CCOCC3)CC2)c1=S	ZINC000863327653	972810079	/nfs/dbraw/zinc/81/00/79/972810079.db2.gz	RNYZRWMWFHLZJJ-UHFFFAOYSA-N	1	0	352.508	1.529	20	30		FDEDRO
N#CCc1cccc2c1CCN(CN1C[C@@]3(C[NH+]4CCC3CC4)OC1=O)C2	ZINC000863336820	972823332	/nfs/dbraw/zinc/82/33/32/972823332.db2.gz	VWMOALJFKHIHFE-OAQYLSRUSA-N	1	0	366.465	1.985	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)CCn1nnc2ccccc2c1=O	ZINC000119410847	972840106	/nfs/dbraw/zinc/84/01/06/972840106.db2.gz	AEENVHCAUDHELA-OAHLLOKOSA-N	1	0	356.426	1.459	20	30		FDEDRO
CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1	ZINC000119411651	972840221	/nfs/dbraw/zinc/84/02/21/972840221.db2.gz	SPLDJWYJUUJUCK-CQSZACIVSA-N	1	0	362.405	1.609	20	30		FDEDRO
C#CC[C@H](Cc1ccccc1)NS(=O)(=O)CCCN1CC[NH+](C)CC1	ZINC000867260930	972874572	/nfs/dbraw/zinc/87/45/72/972874572.db2.gz	FFDRQFXAJUVHSM-LJQANCHMSA-N	1	0	363.527	1.178	20	30		FDEDRO
CC(C)(C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1O)C(C)(F)F	ZINC001198193365	972908593	/nfs/dbraw/zinc/90/85/93/972908593.db2.gz	IYHFCAPEUVRVIQ-HUUCEWRRSA-N	1	0	351.397	1.901	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@H]2O)CCOCC1	ZINC001198239399	972926627	/nfs/dbraw/zinc/92/66/27/972926627.db2.gz	KTNXDKVJRJWZGU-BRWVUGGUSA-N	1	0	352.475	1.090	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COc3ccccc3O2)C1	ZINC001198304770	972970975	/nfs/dbraw/zinc/97/09/75/972970975.db2.gz	LUSISAQHOJPTEQ-MDZRGWNJSA-N	1	0	360.454	1.734	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+]C[C@@H](O)COc1ccccc1C#N	ZINC000863557871	973014237	/nfs/dbraw/zinc/01/42/37/973014237.db2.gz	RKGMTXCNHTZDML-CBZIJGRNSA-N	1	0	373.453	1.753	20	30		FDEDRO
COc1ccc(OC)c([C@H](O)C[NH2+]C[C@H](O)COc2ccccc2C#N)c1	ZINC000863559794	973016816	/nfs/dbraw/zinc/01/68/16/973016816.db2.gz	VGHUVRCNILGYPZ-MAUKXSAKSA-N	1	0	372.421	1.638	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)CCOCC1	ZINC000863564551	973019233	/nfs/dbraw/zinc/01/92/33/973019233.db2.gz	YTFFXLKOJUYQOA-DOMZBBRYSA-N	1	0	358.360	1.798	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1	ZINC000645153519	1014087035	/nfs/dbraw/zinc/08/70/35/1014087035.db2.gz	CNCDMBRMXZBNQB-MBOZVWFJSA-N	1	0	373.497	1.869	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCc2nc(CC)no2)C1	ZINC001198645854	973349669	/nfs/dbraw/zinc/34/96/69/973349669.db2.gz	URZITILRAYHJCQ-HZPDHXFCSA-N	1	0	364.490	1.862	20	30		FDEDRO
C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1	ZINC000119862276	973375768	/nfs/dbraw/zinc/37/57/68/973375768.db2.gz	VMTFGLXDNXSCFU-KGLIPLIRSA-N	1	0	362.405	1.656	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)N2CCOCC2)C1	ZINC001198862364	973599380	/nfs/dbraw/zinc/59/93/80/973599380.db2.gz	FHMOGUKDFPRMFY-GUDVDZBRSA-N	1	0	365.518	1.005	20	30		FDEDRO
C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)c1ccccc1OC	ZINC001198902885	973634734	/nfs/dbraw/zinc/63/47/34/973634734.db2.gz	RASFEIJAUMDVBK-BHYGNILZSA-N	1	0	361.442	1.051	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)c2ccco2)C1	ZINC001198879256	973647221	/nfs/dbraw/zinc/64/72/21/973647221.db2.gz	DRADVXBWXYVCDJ-ARFHVFGLSA-N	1	0	365.474	1.530	20	30		FDEDRO
O=C(CC#Cc1ccccc1)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O	ZINC001198945095	973786736	/nfs/dbraw/zinc/78/67/36/973786736.db2.gz	VDDJSFSFNREBGZ-WOJBJXKFSA-N	1	0	356.466	1.406	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](c2cccnc2)N(C)C)C1	ZINC001199163153	973972349	/nfs/dbraw/zinc/97/23/49/973972349.db2.gz	FONVRFWIXGEFHT-GUDVDZBRSA-N	1	0	360.502	1.592	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](C[C@@H](OC)C3CCC3)C[C@H]2O)CCCCC1	ZINC001199278264	974161280	/nfs/dbraw/zinc/16/12/80/974161280.db2.gz	VODVSYNLUBSUHQ-GUDVDZBRSA-N	1	0	362.514	1.937	20	30		FDEDRO
N#C[C@]1(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)CCCOC1	ZINC000867312065	974163728	/nfs/dbraw/zinc/16/37/28/974163728.db2.gz	WIQZSRMCIKOJEO-AZUAARDMSA-N	1	0	357.454	1.580	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CCCC)NC(N)=O)C1	ZINC001199344625	974170849	/nfs/dbraw/zinc/17/08/49/974170849.db2.gz	GFAMGOJTHOHAFJ-BZUAXINKSA-N	1	0	354.495	1.121	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)Cn2cc(C=O)c(-c3ccccc3)n2)CC1	ZINC000865198248	974177816	/nfs/dbraw/zinc/17/78/16/974177816.db2.gz	IRJAYWFGVNOSMW-UHFFFAOYSA-N	1	0	351.410	1.467	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1	ZINC000645272546	1014172247	/nfs/dbraw/zinc/17/22/47/1014172247.db2.gz	HUQQMSONULRAII-KRWDZBQOSA-N	1	0	365.518	1.874	20	30		FDEDRO
C#CCOC[C@H](O)C[NH2+][C@H]1CCO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1	ZINC001251881345	974214668	/nfs/dbraw/zinc/21/46/68/974214668.db2.gz	SFLWJPPQGFJFAO-FRQCXROJSA-N	1	0	368.474	1.145	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](NC(C)=O)C(C)(C)C)C1	ZINC001199506653	974328753	/nfs/dbraw/zinc/32/87/53/974328753.db2.gz	UZTGENRXACBOLB-BRWVUGGUSA-N	1	0	353.507	1.445	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]C[C@@]1(CO)COCC2(CCC2)N1C	ZINC000865638645	974396813	/nfs/dbraw/zinc/39/68/13/974396813.db2.gz	GJPWEZLERCPGOM-HXUWFJFHSA-N	1	0	358.486	1.330	20	30		FDEDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)c1cnc(C#N)cn1)C2	ZINC001199664254	974450040	/nfs/dbraw/zinc/45/00/40/974450040.db2.gz	BSLJBUMNACJKAJ-DNVCBOLYSA-N	1	0	355.442	1.169	20	30		FDEDRO
N#Cc1cnc(C(=O)N2Cc3cncn3C[C@@H](COCC3CC3)C2)cn1	ZINC001199665961	974451986	/nfs/dbraw/zinc/45/19/86/974451986.db2.gz	WFZVRAKINCTPJS-AWEZNQCLSA-N	1	0	352.398	1.244	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCOCC(F)(F)F	ZINC001110552348	974756850	/nfs/dbraw/zinc/75/68/50/974756850.db2.gz	VQFHHFQQFMKPIS-TUVASFSCSA-N	1	0	362.392	1.715	20	30		FDEDRO
N#Cc1cnn2c1ncc(C#N)c2NC(=S)NCC[NH+]1CCCCC1	ZINC001200419269	974763553	/nfs/dbraw/zinc/76/35/53/974763553.db2.gz	MPGIXKRCGGHPGY-UHFFFAOYSA-N	1	0	354.443	1.245	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1	ZINC000867358200	974790510	/nfs/dbraw/zinc/79/05/10/974790510.db2.gz	WVQPQHPCUBYJCS-RBUKOAKNSA-N	1	0	368.481	1.849	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccncc2)CCCO1	ZINC001200527855	974806296	/nfs/dbraw/zinc/80/62/96/974806296.db2.gz	BDUUEJLSZRKKJL-QRVBRYPASA-N	1	0	357.454	1.390	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)CCCO1	ZINC001200528154	974807981	/nfs/dbraw/zinc/80/79/81/974807981.db2.gz	GALNFRZOURMILV-FGTMMUONSA-N	1	0	365.518	1.855	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccsc2)CCCO1	ZINC001200796146	974908929	/nfs/dbraw/zinc/90/89/29/974908929.db2.gz	ULIKLOIJWQNSBJ-FGTMMUONSA-N	1	0	362.495	1.709	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CCCO1	ZINC001201010739	974949596	/nfs/dbraw/zinc/94/95/96/974949596.db2.gz	WWRQMWAYDPMWEK-XWTMOSNGSA-N	1	0	352.475	1.211	20	30		FDEDRO
C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1	ZINC001201252939	974986053	/nfs/dbraw/zinc/98/60/53/974986053.db2.gz	OHAULMNJVPRIAX-KGLIPLIRSA-N	1	0	350.381	1.880	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)NC(C)(C)CC[NH+]1CCCCCC1	ZINC000776182112	975038519	/nfs/dbraw/zinc/03/85/19/975038519.db2.gz	HOVBJIWQLCRWNQ-UHFFFAOYSA-N	1	0	359.536	1.931	20	30		FDEDRO
COCC#CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@]23CCOc2ccccc23)CC1	ZINC001201579290	975087312	/nfs/dbraw/zinc/08/73/12/975087312.db2.gz	LYWTXRDKUIBCLP-UGKGYDQZSA-N	1	0	368.477	1.957	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccccc2)CCCO1	ZINC001201612567	975098413	/nfs/dbraw/zinc/09/84/13/975098413.db2.gz	QOJVEYDXFHIDFA-AQNXPRMDSA-N	1	0	356.466	1.995	20	30		FDEDRO
C#C[C@@H]1CCCN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000847266837	975398174	/nfs/dbraw/zinc/39/81/74/975398174.db2.gz	JMKSXKCBPHEUKZ-LJQANCHMSA-N	1	0	354.498	1.859	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H](Cc2cccc(C)c2)C(=O)OC)CC1	ZINC000106781309	975500371	/nfs/dbraw/zinc/50/03/71/975500371.db2.gz	VPBPAPUIIKKLPL-IBGZPJMESA-N	1	0	356.466	1.788	20	30		FDEDRO
CC(=O)NCC1CCC([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000866346670	975565635	/nfs/dbraw/zinc/56/56/35/975565635.db2.gz	NQBIYKGPEUFCHC-LYBXBRPPSA-N	1	0	368.481	1.944	20	30		FDEDRO
C#C[C@H]1CCCN(C(=O)C(=O)Nc2cccc(N3CC[NH+](CC)CC3)c2)C1	ZINC000847561730	975828491	/nfs/dbraw/zinc/82/84/91/975828491.db2.gz	CFQGDRLVIHBKQY-KRWDZBQOSA-N	1	0	368.481	1.639	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1	ZINC000847606696	975902035	/nfs/dbraw/zinc/90/20/35/975902035.db2.gz	UKWGHMVXOVJGNG-ROUUACIJSA-N	1	0	355.438	1.770	20	30		FDEDRO
N#CC1(COC(=O)[C@@H]2CCNC(=O)C2)CC[NH+](Cc2ccccc2)CC1	ZINC000847749739	976020798	/nfs/dbraw/zinc/02/07/98/976020798.db2.gz	ZVLZIGWDCNMWAC-QGZVFWFLSA-N	1	0	355.438	1.862	20	30		FDEDRO
CN(C[C@H](O)c1cccc(C#N)c1)S(=O)(=O)CCC[NH+]1CCCC1	ZINC000867456956	976174261	/nfs/dbraw/zinc/17/42/61/976174261.db2.gz	JPZPETMBJXFHMI-KRWDZBQOSA-N	1	0	351.472	1.339	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C1(c2ccccc2)CCN(C(=O)C=C)CC1	ZINC000848143116	976379852	/nfs/dbraw/zinc/37/98/52/976379852.db2.gz	RDJIPPGERHQMNF-UHFFFAOYSA-N	1	0	367.493	1.804	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N(CCOC)CC1CC[NH+](C)CC1	ZINC000867582780	976423665	/nfs/dbraw/zinc/42/36/65/976423665.db2.gz	YCNZCKXYOZWRJY-HNNXBMFYSA-N	1	0	360.524	1.003	20	30		FDEDRO
CN(C)C1(CS(=O)(=O)NC2CCN(c3ccccc3C#N)CC2)CC1	ZINC000867612218	976507466	/nfs/dbraw/zinc/50/74/66/976507466.db2.gz	WJPKHYDYIQEDAE-UHFFFAOYSA-N	1	0	362.499	1.541	20	30		FDEDRO
COc1cc(NC(=O)[C@@H]([NH3+])CCCCC#N)c(C(=O)N(C)C)cc1OC	ZINC000848397091	976718437	/nfs/dbraw/zinc/71/84/37/976718437.db2.gz	ZPDXZTOJWFVQCN-ZDUSSCGKSA-N	1	0	362.430	1.755	20	30		FDEDRO
C[C@]1(c2ccc(-c3noc([C@H](N)CCCCC#N)n3)cc2)NC(=O)NC1=O	ZINC000848623191	976958921	/nfs/dbraw/zinc/95/89/21/976958921.db2.gz	CDXRDGVBODJRLE-FZKQIMNGSA-N	1	0	368.397	1.875	20	30		FDEDRO
COc1cccc2c1OC[C@@H](NC(=O)[C@H]1[NH2+]CCc3cc(C#N)ccc31)C2	ZINC000867943870	977121720	/nfs/dbraw/zinc/12/17/20/977121720.db2.gz	IUXHBIYQJMOBFL-LPHOPBHVSA-N	1	0	363.417	1.874	20	30		FDEDRO
Cc1c(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)nnn1C1CC[NH2+]CC1	ZINC000868038217	977225031	/nfs/dbraw/zinc/22/50/31/977225031.db2.gz	NXLLFQDGVZVNEB-MRXNPFEDSA-N	1	0	350.426	1.280	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NC3(CCOC)CC[NH2+]CC3)cc2C1=O	ZINC000868041203	977227913	/nfs/dbraw/zinc/22/79/13/977227913.db2.gz	XZYMENHCXBFEQH-UHFFFAOYSA-N	1	0	371.437	1.357	20	30		FDEDRO
C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCC(C#N)CC1	ZINC000868053857	977240851	/nfs/dbraw/zinc/24/08/51/977240851.db2.gz	ZAOASJMBNOAQCQ-NRXISQOPSA-N	1	0	352.479	1.887	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000848929279	977241139	/nfs/dbraw/zinc/24/11/39/977241139.db2.gz	DGVOYALIMJPJRX-QGZVFWFLSA-N	1	0	351.491	1.609	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCc3cccc4c3OCO4)=[NH+]C[C@H]2C1	ZINC000849087179	977307990	/nfs/dbraw/zinc/30/79/90/977307990.db2.gz	DTMIACLBOJOECW-AWEZNQCLSA-N	1	0	374.441	1.796	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)N[C@@H]1C[C@H](OCc2ccccc2)C1(C)C	ZINC000849089281	977309174	/nfs/dbraw/zinc/30/91/74/977309174.db2.gz	JNWGYXUUXNJDSK-MOPGFXCFSA-N	1	0	374.529	1.868	20	30		FDEDRO
C=CCNC(=[NH2+])N[C@H]1CCN([C@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O	ZINC000849089924	977309895	/nfs/dbraw/zinc/30/98/95/977309895.db2.gz	LBUBLCLCHGFTMA-HOTGVXAUSA-N	1	0	372.469	1.970	20	30		FDEDRO
CCOCCC[NH+]=C(NCc1ccc(OC)cc1)NC[C@H]1CNC(=O)C1	ZINC000849109624	977319767	/nfs/dbraw/zinc/31/97/67/977319767.db2.gz	BDQBRITUQJPKIY-MRXNPFEDSA-N	1	0	362.474	1.293	20	30		FDEDRO
C=CCNC(=[NH2+])NC[C@H](CO)Cc1ccc(OC)c(Br)c1	ZINC000849109896	977320528	/nfs/dbraw/zinc/32/05/28/977320528.db2.gz	KUMPUDZRJMIKDQ-GFCCVEGCSA-N	1	0	356.264	1.909	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1ccc(Br)c(C)c1	ZINC000849116264	977328665	/nfs/dbraw/zinc/32/86/65/977328665.db2.gz	MSSBOSOXQPNRIM-UHFFFAOYSA-N	1	0	369.307	1.755	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1	ZINC000868163467	977328698	/nfs/dbraw/zinc/32/86/98/977328698.db2.gz	IQPQSCDYDZMLPF-XHSDSOJGSA-N	1	0	355.398	1.266	20	30		FDEDRO
N#CCc1cccc(NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1	ZINC000868164286	977329443	/nfs/dbraw/zinc/32/94/43/977329443.db2.gz	NNHRHHHYFYHWPU-XHSDSOJGSA-N	1	0	355.398	1.151	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)Nc3cnc4c(c3)C[NH2+]CC4)CC2)cc1	ZINC000868168996	977331977	/nfs/dbraw/zinc/33/19/77/977331977.db2.gz	ZSILOJTZERPVSA-UHFFFAOYSA-N	1	0	362.437	1.953	20	30		FDEDRO
CN(CCc1cccc(C#N)c1)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000868288802	977452287	/nfs/dbraw/zinc/45/22/87/977452287.db2.gz	GCIXBKKBGRIRCU-LJQANCHMSA-N	1	0	369.513	1.911	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@@H](NC(=O)C(=O)Nc1ccc3c(c1)C[NH2+]CC3)C2	ZINC000868317062	977493674	/nfs/dbraw/zinc/49/36/74/977493674.db2.gz	VVNFRGUQRAXHGY-IBGZPJMESA-N	1	0	360.417	1.426	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(C(C)(C)C(=O)OC)cc1	ZINC000849395210	977506278	/nfs/dbraw/zinc/50/62/78/977506278.db2.gz	RVMHQIIICCWWED-UHFFFAOYSA-N	1	0	366.483	1.371	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)CC2)cc1	ZINC000868353725	977521580	/nfs/dbraw/zinc/52/15/80/977521580.db2.gz	DUAXFNFHYUHASJ-QGZVFWFLSA-N	1	0	353.470	1.874	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1	ZINC000868359489	977531804	/nfs/dbraw/zinc/53/18/04/977531804.db2.gz	OOPVQRHDXTXIGS-HXUWFJFHSA-N	1	0	356.470	1.740	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)CC1	ZINC000849514823	977709111	/nfs/dbraw/zinc/70/91/11/977709111.db2.gz	AUIHICDCHIPNGZ-QYZOEREBSA-N	1	0	372.517	1.148	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)cc1	ZINC000849599741	977821710	/nfs/dbraw/zinc/82/17/10/977821710.db2.gz	OLXCXMSLNPAPAT-WOJBJXKFSA-N	1	0	366.465	1.784	20	30		FDEDRO
Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2ccc(CC#N)cc2)cn1	ZINC000849606856	977836527	/nfs/dbraw/zinc/83/65/27/977836527.db2.gz	RTXMEWFFYHVUJJ-MOPGFXCFSA-N	1	0	351.454	1.838	20	30		FDEDRO
Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2ccc(CC#N)cc2)cn1	ZINC000849606857	977837274	/nfs/dbraw/zinc/83/72/74/977837274.db2.gz	RTXMEWFFYHVUJJ-OALUTQOASA-N	1	0	351.454	1.838	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1	ZINC000967954723	1014504853	/nfs/dbraw/zinc/50/48/53/1014504853.db2.gz	BCRWDRYKKIKZMC-KURKYZTESA-N	1	0	363.502	1.510	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)nc1	ZINC000850760757	978663479	/nfs/dbraw/zinc/66/34/79/978663479.db2.gz	WTRIVRKQCSOAGJ-QGZVFWFLSA-N	1	0	366.425	1.848	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@@H](CC)c2ccc(OC)c(OC)c2)CC1	ZINC000796253155	1014529513	/nfs/dbraw/zinc/52/95/13/1014529513.db2.gz	DXLVDGXLSKUIHA-KRWDZBQOSA-N	1	0	359.470	1.522	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(c2nccc(OC)n2)CC1	ZINC001110629949	978874905	/nfs/dbraw/zinc/87/49/05/978874905.db2.gz	CDOJCMZDISUDCU-NVXWUHKLSA-N	1	0	371.485	1.256	20	30		FDEDRO
CC(C)[NH2+]CC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1	ZINC000851628447	978978126	/nfs/dbraw/zinc/97/81/26/978978126.db2.gz	DRHZNLAMBPPWAE-XDJHFCHBSA-N	1	0	352.460	1.436	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nn3c(c1C)OCCC3)C2	ZINC001110633408	978980608	/nfs/dbraw/zinc/98/06/08/978980608.db2.gz	XWXIKODPYPFWDO-OAGGEKHMSA-N	1	0	360.458	1.512	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1	ZINC000968008845	1014556939	/nfs/dbraw/zinc/55/69/39/1014556939.db2.gz	IUJQSDQNYPYWCU-JQHSSLGASA-N	1	0	363.502	1.511	20	30		FDEDRO
C[C@H]1CN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C[C@H](C)N1CC#N	ZINC000880459605	979208692	/nfs/dbraw/zinc/20/86/92/979208692.db2.gz	HWFGIMJAOVFLCK-ROUUACIJSA-N	1	0	369.513	1.492	20	30		FDEDRO
C#CCC1(O)CC[NH+](CC(=O)N(CC)Cc2ccc3c(c2)OCCO3)CC1	ZINC000880477597	979218119	/nfs/dbraw/zinc/21/81/19/979218119.db2.gz	LDCOJSNVELEOBI-UHFFFAOYSA-N	1	0	372.465	1.657	20	30		FDEDRO
C#CCC1(O)CC[NH+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC1	ZINC000880478296	979219366	/nfs/dbraw/zinc/21/93/66/979219366.db2.gz	ZQJDMDUNICTKJD-UHFFFAOYSA-N	1	0	369.465	1.992	20	30		FDEDRO
C#CCC1(O)CC[NH+]([C@@H](C)C(=O)N(C)C[C@@H]2COc3ccccc3O2)CC1	ZINC000880478554	979219735	/nfs/dbraw/zinc/21/97/35/979219735.db2.gz	BKPFWDQDFUUELW-DLBZAZTESA-N	1	0	372.465	1.524	20	30		FDEDRO
C#CCC1(O)CC[NH+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1	ZINC000880480012	979220511	/nfs/dbraw/zinc/22/05/11/979220511.db2.gz	GITKWWINZZNQTI-UHFFFAOYSA-N	1	0	359.445	1.325	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(CC(=O)NCCC#N)C2)O1	ZINC000880501374	979252712	/nfs/dbraw/zinc/25/27/12/979252712.db2.gz	LGWGHBSFXREFRH-FXAWDEMLSA-N	1	0	356.470	1.382	20	30		FDEDRO
C#C[C@@](C)(CC)[NH2+][C@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1	ZINC000852101294	979351014	/nfs/dbraw/zinc/35/10/14/979351014.db2.gz	OYDPCHJGBXLZBZ-UTKZUKDTSA-N	1	0	357.498	1.915	20	30		FDEDRO
COC[C@H]([NH3+])Cc1cn(CC(=O)/C=C2\N(C)c3ccccc3C2(C)C)nn1	ZINC000880982729	979561372	/nfs/dbraw/zinc/56/13/72/979561372.db2.gz	GDVUJDGXCDRUHN-SAGYFLTASA-N	1	0	369.469	1.675	20	30		FDEDRO
Cc1cccc([C@H](O)CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)c1	ZINC000128869837	979743938	/nfs/dbraw/zinc/74/39/38/979743938.db2.gz	NCHRHLOOQOKYGR-DLBZAZTESA-N	1	0	374.485	1.909	20	30		FDEDRO
CC[NH2+]Cc1ccn(Cc2cn(Cc3ccc(OCC#N)cc3)nn2)n1	ZINC000881286364	979808793	/nfs/dbraw/zinc/80/87/93/979808793.db2.gz	YYVOVSBUSRZZLK-UHFFFAOYSA-N	1	0	351.414	1.583	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)c3ccc(C#N)c(O)c3)cc2)CC1	ZINC000881854226	980219040	/nfs/dbraw/zinc/21/90/40/980219040.db2.gz	XWLJSUVULLUYKJ-UHFFFAOYSA-N	1	0	350.422	1.946	20	30		FDEDRO
Cc1nc(C#N)cc(N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)n1	ZINC000881859132	980225929	/nfs/dbraw/zinc/22/59/29/980225929.db2.gz	QZGXRQHEDBIVON-UHFFFAOYSA-N	1	0	370.501	1.865	20	30		FDEDRO
CN1CCc2c(cccc2S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1	ZINC000881885342	980253677	/nfs/dbraw/zinc/25/36/77/980253677.db2.gz	ZUFCNALSABINOO-INIZCTEOSA-N	1	0	360.483	1.035	20	30		FDEDRO
N#CCc1cccc2c1CCN(C(=O)NC[C@H]1C[N@@H+]3CCC[C@H]3CO1)C2	ZINC000858191923	981903986	/nfs/dbraw/zinc/90/39/86/981903986.db2.gz	FGALOOXLSLMBBD-ROUUACIJSA-N	1	0	354.454	1.684	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)cc1	ZINC000858221819	981924581	/nfs/dbraw/zinc/92/45/81/981924581.db2.gz	KITBTXNHHNBAFN-OAQYLSRUSA-N	1	0	372.513	1.742	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(Br)c(C#N)n2)C1	ZINC000883087334	981933107	/nfs/dbraw/zinc/93/31/07/981933107.db2.gz	UCEJCHKEIHTKJQ-JTQLQIEISA-N	1	0	368.235	1.558	20	30		FDEDRO
C=C(C)C[C@H](CO)NC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1	ZINC000883105149	981949277	/nfs/dbraw/zinc/94/92/77/981949277.db2.gz	ZIJOQONSJHZDAY-LJQANCHMSA-N	1	0	360.502	1.560	20	30		FDEDRO
C=C(C)C[C@H](CO)NC(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000883112085	981954776	/nfs/dbraw/zinc/95/47/76/981954776.db2.gz	ZFPNPOXDENEAFX-HXUWFJFHSA-N	1	0	374.529	1.950	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1CCc2c(F)ccc(C(=O)OC)c2C1	ZINC000858494641	982079439	/nfs/dbraw/zinc/07/94/39/982079439.db2.gz	UREUJNCRXXLIQW-UHFFFAOYSA-N	1	0	361.417	1.635	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC3(CCOCC3)CO2)CC1	ZINC000883343143	982086540	/nfs/dbraw/zinc/08/65/40/982086540.db2.gz	AVCZQIOQVPDJMN-KRWDZBQOSA-N	1	0	351.491	1.912	20	30		FDEDRO
C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000883390229	982108254	/nfs/dbraw/zinc/10/82/54/982108254.db2.gz	IIGSKXZERRPVJF-DOTOQJQBSA-N	1	0	368.499	1.685	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2	ZINC001110754399	982237294	/nfs/dbraw/zinc/23/72/94/982237294.db2.gz	LIYCZJAVPNMEFA-BDXSIMOUSA-N	1	0	362.518	1.131	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC([NH2+]C2CCOCC2)CC1	ZINC000883670727	982366434	/nfs/dbraw/zinc/36/64/34/982366434.db2.gz	RBSPJLJBDSVWCJ-YJBOKZPZSA-N	1	0	351.491	1.910	20	30		FDEDRO
C=CCCSCCNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1	ZINC000883718904	982413895	/nfs/dbraw/zinc/41/38/95/982413895.db2.gz	XWJUGGGOWNQZTH-UHFFFAOYSA-N	1	0	368.547	1.811	20	30		FDEDRO
CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000859111775	982540195	/nfs/dbraw/zinc/54/01/95/982540195.db2.gz	GEXMRWQEHLNQNJ-HOTGVXAUSA-N	1	0	367.490	1.904	20	30		FDEDRO
COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000859257831	982652336	/nfs/dbraw/zinc/65/23/36/982652336.db2.gz	FXEUQFUEQDPVKY-PMPSAXMXSA-N	1	0	353.463	1.514	20	30		FDEDRO
COC(=O)[C@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1	ZINC000859302183	982695878	/nfs/dbraw/zinc/69/58/78/982695878.db2.gz	MOQRXBWNIIHMBY-CJNGLKHVSA-N	1	0	372.343	1.725	20	30		FDEDRO
COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C[C@H](O)COc2ccccc2C#N)C1	ZINC000859302185	982696077	/nfs/dbraw/zinc/69/60/77/982696077.db2.gz	MOQRXBWNIIHMBY-XJKSGUPXSA-N	1	0	372.343	1.725	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NCc2ccc(N3CCCC3=O)cc2)C1	ZINC000884016595	982702358	/nfs/dbraw/zinc/70/23/58/982702358.db2.gz	ZVZBZEKRZFKVMH-QGZVFWFLSA-N	1	0	354.454	1.710	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1	ZINC000958380816	1014875029	/nfs/dbraw/zinc/87/50/29/1014875029.db2.gz	IFXAPVGUYMSIQS-HDMKZQKVSA-N	1	0	356.470	1.527	20	30		FDEDRO
CC[NH+](CC)CCCOC(=O)CNS(=O)(=O)c1ccc(C#N)cc1	ZINC000800079459	982729392	/nfs/dbraw/zinc/72/93/92/982729392.db2.gz	BXXWYSCCRUKFLY-UHFFFAOYSA-N	1	0	353.444	1.112	20	30		FDEDRO
CN(CC(=O)Nc1ccccc1Cl)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884052853	982770350	/nfs/dbraw/zinc/77/03/50/982770350.db2.gz	DAXNCBKKACWEAR-YNAXMUEKSA-N	1	0	360.845	1.876	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CNC(C)=O)cc1)C2	ZINC001110774279	982837438	/nfs/dbraw/zinc/83/74/38/982837438.db2.gz	FZNQYMRQYVYGEE-AQNXPRMDSA-N	1	0	371.481	1.860	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1cccc(CN3CCOC3=O)c1)C2	ZINC000884087686	982845823	/nfs/dbraw/zinc/84/58/23/982845823.db2.gz	KWVTZLPJKKUMMV-HVEKOLDVSA-N	1	0	354.410	1.717	20	30		FDEDRO
CCN(CC)C(=O)C1(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CCCCC1	ZINC000884099699	982864984	/nfs/dbraw/zinc/86/49/84/982864984.db2.gz	XBHSECNVFYGVBD-KOHRHEQBSA-N	1	0	360.502	1.813	20	30		FDEDRO
CCOC(=O)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)Cc1ccccc1	ZINC000884107854	982877714	/nfs/dbraw/zinc/87/77/14/982877714.db2.gz	HJZFPIJPQMAELC-LCUHEZEJSA-N	1	0	369.465	1.664	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)CC1	ZINC000859524949	982894634	/nfs/dbraw/zinc/89/46/34/982894634.db2.gz	NJEBYFKWXKENON-UHFFFAOYSA-N	1	0	369.465	1.377	20	30		FDEDRO
COC(=O)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)Cc1cccc(C)c1	ZINC000884129924	982912489	/nfs/dbraw/zinc/91/24/89/982912489.db2.gz	UBCMWRAMZYJNCI-LCUHEZEJSA-N	1	0	369.465	1.582	20	30		FDEDRO
COC(=O)c1cn([C@H]2CCN([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)nn1	ZINC000331605165	982915058	/nfs/dbraw/zinc/91/50/58/982915058.db2.gz	VESMYKDXJUIJRZ-KBPBESRZSA-N	1	0	374.445	1.043	20	30		FDEDRO
CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)N3CCC(C#N)CC3)C2)CC1	ZINC000331800809	982944585	/nfs/dbraw/zinc/94/45/85/982944585.db2.gz	MBYRUBYWWDEZRT-SFHVURJKSA-N	1	0	360.502	1.719	20	30		FDEDRO
COC(=O)[C@H](C)[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccccc1	ZINC000884170346	982944591	/nfs/dbraw/zinc/94/45/91/982944591.db2.gz	VMKKVIYMSHBZSB-HXBWWRFSSA-N	1	0	355.438	1.792	20	30		FDEDRO
COc1cc(OC)cc(OCCNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c1	ZINC000884173605	982946981	/nfs/dbraw/zinc/94/69/81/982946981.db2.gz	AGJVZPMXRKTDNL-SHYRYGCCSA-N	1	0	359.426	1.338	20	30		FDEDRO
C[C@@H]([NH3+])CN(C)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1	ZINC000859636098	982952122	/nfs/dbraw/zinc/95/21/22/982952122.db2.gz	WQVBHRXZVVPKMC-RILUTCLRSA-N	1	0	367.475	1.310	20	30		FDEDRO
Cc1ccc([C@@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)N2CCOCC2)o1	ZINC000884182053	982957078	/nfs/dbraw/zinc/95/70/78/982957078.db2.gz	XMXHHGHDRBMMGB-MUZJZNNISA-N	1	0	372.469	1.217	20	30		FDEDRO
Cc1cc(C)n(-c2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)cn2)n1	ZINC000884187884	982964200	/nfs/dbraw/zinc/96/42/00/982964200.db2.gz	RRNBYXBLGMYSPM-XAUUPUKJSA-N	1	0	350.426	1.962	20	30		FDEDRO
CCOC(=O)Nc1ccc(NC(=O)NC2(C[NH3+])CCOCC2)cc1C#N	ZINC000859665558	982966244	/nfs/dbraw/zinc/96/62/44/982966244.db2.gz	UGSYJWDTQGNUDS-UHFFFAOYSA-N	1	0	361.402	1.756	20	30		FDEDRO
COc1ccccc1N1CC[C@@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1	ZINC000884207893	982983836	/nfs/dbraw/zinc/98/38/36/982983836.db2.gz	JUDWKTANFMNLBV-DILDSAGESA-N	1	0	368.481	1.777	20	30		FDEDRO
C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000332073693	982989957	/nfs/dbraw/zinc/98/99/57/982989957.db2.gz	DSZHRMCWMAHHAV-MBOZVWFJSA-N	1	0	369.513	1.843	20	30		FDEDRO
CCc1cc(N2CCC[C@H](NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)C2)ncn1	ZINC000884311608	983074894	/nfs/dbraw/zinc/07/48/94/983074894.db2.gz	HIOKBCGVWOGAOA-GLEGPSONSA-N	1	0	368.485	1.263	20	30		FDEDRO
Cc1ccccc1[C@H]1C(=O)NCCN1C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884315822	983078184	/nfs/dbraw/zinc/07/81/84/983078184.db2.gz	BECQYZDJQCAKDX-GLEGPSONSA-N	1	0	352.438	1.134	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1	ZINC000884319663	983080785	/nfs/dbraw/zinc/08/07/85/983080785.db2.gz	AFUXSXHBOLZQJI-ZMSDIMECSA-N	1	0	367.396	1.273	20	30		FDEDRO
N#CCc1cccc2c1CCN(C(=O)c1ccnc(N3CC[NH2+]CC3)c1)C2	ZINC000884445495	983159119	/nfs/dbraw/zinc/15/91/19/983159119.db2.gz	OTKIZEBLQSUZIR-UHFFFAOYSA-N	1	0	361.449	1.756	20	30		FDEDRO
C=CCc1cc(C[NH+]2CCC(O)(COCCO)CC2)c(O)c(OC)c1	ZINC000884478073	983181143	/nfs/dbraw/zinc/18/11/43/983181143.db2.gz	PILBRVGAXIJYQO-UHFFFAOYSA-N	1	0	351.443	1.465	20	30		FDEDRO
C#CCNC(=O)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)OC(C)(C)C	ZINC000860041060	983189453	/nfs/dbraw/zinc/18/94/53/983189453.db2.gz	SNIMPKFNSXYVIL-HZMVEIRTSA-N	1	0	361.486	1.703	20	30		FDEDRO
N#CCCNC(=O)COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2	ZINC000860425664	983391011	/nfs/dbraw/zinc/39/10/11/983391011.db2.gz	NNKUSDFULGFNQQ-KRWDZBQOSA-N	1	0	355.438	1.862	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@H]1OCC[C@H]1NC(=O)OC(C)(C)C	ZINC000860529201	983432544	/nfs/dbraw/zinc/43/25/44/983432544.db2.gz	CNRNWEWHCFKEQL-KFWWJZLASA-N	1	0	352.431	1.309	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1	ZINC000860611292	983458161	/nfs/dbraw/zinc/45/81/61/983458161.db2.gz	LXSVSQNKJRWFMK-WDYCEAGBSA-N	1	0	357.454	1.878	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O	ZINC000860897365	983553769	/nfs/dbraw/zinc/55/37/69/983553769.db2.gz	MQQRXGRXLJAXLK-ZFWWWQNUSA-N	1	0	359.430	1.439	20	30		FDEDRO
C#C[C@@H](NC(=O)NC[C@H]1COCC[NH2+]1)c1ccc(Br)cc1	ZINC000861687759	983827615	/nfs/dbraw/zinc/82/76/15/983827615.db2.gz	YBTHJLRHOAPDKI-UONOGXRCSA-N	1	0	352.232	1.411	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)CC1	ZINC000958443687	1014983654	/nfs/dbraw/zinc/98/36/54/1014983654.db2.gz	WKYZYWXQSQMLKF-RDTXWAMCSA-N	1	0	371.485	1.583	20	30		FDEDRO
O=C(N[C@@H]1CCCN(O)C1=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2	ZINC000861827323	983943015	/nfs/dbraw/zinc/94/30/15/983943015.db2.gz	IBDGKFCGGGSPFN-DLBZAZTESA-N	1	0	357.454	1.785	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1C	ZINC000653334874	1015034818	/nfs/dbraw/zinc/03/48/18/1015034818.db2.gz	IVDDQOACPGPIII-YESZJQIVSA-N	1	0	358.486	1.982	20	30		FDEDRO
N#CCNC(=O)C[NH+]1CCC([C@@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1	ZINC000795034476	984574246	/nfs/dbraw/zinc/57/42/46/984574246.db2.gz	TYRTUTQUXJNKKB-ZWKOTPCHSA-N	1	0	370.453	1.653	20	30		FDEDRO
C#CCNC(=O)C[NH+]1CCC([C@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1	ZINC000795038031	984634234	/nfs/dbraw/zinc/63/42/34/984634234.db2.gz	CYCKXCAZCQKVPT-RTBURBONSA-N	1	0	369.465	1.763	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCC[C@@](CO)(NC(=O)OC(C)(C)C)C1	ZINC000884780604	984782651	/nfs/dbraw/zinc/78/26/51/984782651.db2.gz	CDYHOINGCPHGNX-GOSISDBHSA-N	1	0	355.479	1.373	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCC(C[NH+]3CCOCC3)CC1)C2	ZINC000869190933	984934107	/nfs/dbraw/zinc/93/41/07/984934107.db2.gz	WVSXVTLVDQAGDJ-HXUWFJFHSA-N	1	0	368.481	1.779	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2ccc(CCC#N)cc2)CC1	ZINC000885123799	985189569	/nfs/dbraw/zinc/18/95/69/985189569.db2.gz	SDMBWUDBMIOPNX-MRXNPFEDSA-N	1	0	364.515	1.447	20	30		FDEDRO
CCOc1ccnc(N2CCC[N@H+](C[C@H](O)CC3(C#N)CCC3)CC2)n1	ZINC000886044011	985847298	/nfs/dbraw/zinc/84/72/98/985847298.db2.gz	OHTOCGASTRMQMU-MRXNPFEDSA-N	1	0	359.474	1.832	20	30		FDEDRO
C[C@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCC2)CCN1c1nccn2cnnc12	ZINC000886076370	985860722	/nfs/dbraw/zinc/86/07/22/985860722.db2.gz	NITANXSKIIGOHX-GJZGRUSLSA-N	1	0	355.446	1.080	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC2CCN(c3ccccc3C#N)CC2)CC1	ZINC000923618046	985863863	/nfs/dbraw/zinc/86/38/63/985863863.db2.gz	IHEGEKGIVFHBLT-UHFFFAOYSA-N	1	0	365.481	1.924	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)CCC1	ZINC000886208109	985971519	/nfs/dbraw/zinc/97/15/19/985971519.db2.gz	WDNKYIQBANNACY-GJZGRUSLSA-N	1	0	355.504	1.225	20	30		FDEDRO
C#CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1	ZINC000886359698	986097708	/nfs/dbraw/zinc/09/77/08/986097708.db2.gz	ILJKZDUEJVYWNK-LSDHHAIUSA-N	1	0	363.483	1.609	20	30		FDEDRO
C#CCN(C(=O)CCn1[nH]c(=O)c2ccccc2c1=O)C1CC[NH+](C)CC1	ZINC000886587315	986393854	/nfs/dbraw/zinc/39/38/54/986393854.db2.gz	RNDUHZPNWAQFRN-UHFFFAOYSA-N	1	0	368.437	1.048	20	30		FDEDRO
C#CCN(C(=O)CNC(=O)c1ccc(OCC)cc1)C1CC[NH+](C)CC1	ZINC000886588851	986395729	/nfs/dbraw/zinc/39/57/29/986395729.db2.gz	AKLZPFWWXJETGC-UHFFFAOYSA-N	1	0	357.454	1.371	20	30		FDEDRO
CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cccc(Br)c1C#N	ZINC000886891808	986695104	/nfs/dbraw/zinc/69/51/04/986695104.db2.gz	HMGDKBUONRGLGO-SNVBAGLBSA-N	1	0	358.261	1.693	20	30		FDEDRO
C#C[C@H]1CC[C@H]([NH2+]C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)CC1	ZINC000872140367	987458628	/nfs/dbraw/zinc/45/86/28/987458628.db2.gz	LBXQBVQYPGRVPV-WKILWMFISA-N	1	0	364.515	1.961	20	30		FDEDRO
C[C@]1(C#N)CCN(C(=O)C(=O)N2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)C1	ZINC000872198426	987509221	/nfs/dbraw/zinc/50/92/21/987509221.db2.gz	WYHYSVBUERIPSY-XAUMDUMWSA-N	1	0	360.502	1.895	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1COc2cccc(Br)c2C1	ZINC000872234904	987532909	/nfs/dbraw/zinc/53/29/09/987532909.db2.gz	JHKGKIIQSWHEFP-STQMWFEESA-N	1	0	368.275	1.549	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O	ZINC000872246870	987540698	/nfs/dbraw/zinc/54/06/98/987540698.db2.gz	OIYZYYXOWYOSII-VDBQLOCMSA-N	1	0	364.467	1.243	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000872448687	987668204	/nfs/dbraw/zinc/66/82/04/987668204.db2.gz	IBISDFYEGLSAPZ-QGZVFWFLSA-N	1	0	363.483	1.788	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N2CCN(CC3CCOCC3)CC2)c(C#N)c1	ZINC000872450225	987670245	/nfs/dbraw/zinc/67/02/45/987670245.db2.gz	GUXWFCNGLCACIC-UHFFFAOYSA-N	1	0	363.483	1.600	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NCC2(O)CC[NH+](C(C)C)CC2)c(C#N)c1	ZINC000872462352	987685023	/nfs/dbraw/zinc/68/50/23/987685023.db2.gz	ULUSZSFYYCAHKE-UHFFFAOYSA-N	1	0	351.472	1.380	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2c(C)cccc2C#N)CC1	ZINC000872475487	987699885	/nfs/dbraw/zinc/69/98/85/987699885.db2.gz	OHSCCTJFUBLUSZ-OAHLLOKOSA-N	1	0	350.488	1.171	20	30		FDEDRO
N#Cc1ccc(N2CC[NH+](Cc3cc4c(cc3O)OC[C@H]4O)CC2)cn1	ZINC000872793415	988070253	/nfs/dbraw/zinc/07/02/53/988070253.db2.gz	WIKJLXCPXFTXJL-GOSISDBHSA-N	1	0	352.394	1.407	20	30		FDEDRO
COC(=O)C1=NOC2(C1)CC[NH+](CCC(=O)Nc1ccccc1C#N)CC2	ZINC000299138869	988162554	/nfs/dbraw/zinc/16/25/54/988162554.db2.gz	WHNYMEDBUARNST-UHFFFAOYSA-N	1	0	370.409	1.671	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)cc1	ZINC000299175012	988200195	/nfs/dbraw/zinc/20/01/95/988200195.db2.gz	ORXPOATUAZCXNY-HNNXBMFYSA-N	1	0	372.469	1.506	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)NCCN1CC[N@H+](C)C[C@H]1c1ccccc1	ZINC000365921742	988229399	/nfs/dbraw/zinc/22/93/99/988229399.db2.gz	OAAKBFYPURPHMM-IBGZPJMESA-N	1	0	351.454	1.615	20	30		FDEDRO
C[NH+](C)[C@@]1(CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)CCSC1	ZINC000872925102	988290942	/nfs/dbraw/zinc/29/09/42/988290942.db2.gz	KKLXECKNGBIILT-GOSISDBHSA-N	1	0	374.514	1.222	20	30		FDEDRO
C[NH+](C)CCn1nccc1NC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000294176437	988334222	/nfs/dbraw/zinc/33/42/22/988334222.db2.gz	JJFMOWYSQDKKEG-UHFFFAOYSA-N	1	0	368.445	1.065	20	30		FDEDRO
C[C@H](C#N)CN(C)C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1	ZINC000873016635	988420299	/nfs/dbraw/zinc/42/02/99/988420299.db2.gz	OGIGXSXCEARKDW-PLMTUMEDSA-N	1	0	368.481	1.585	20	30		FDEDRO
N#CCC(=O)N1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1	ZINC000294519063	988444658	/nfs/dbraw/zinc/44/46/58/988444658.db2.gz	LLDZVDMNTCHMLQ-UHFFFAOYSA-N	1	0	354.454	1.871	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NC3CC[NH+](C4CCC4)CC3)CC2)cn1	ZINC000873036061	988455737	/nfs/dbraw/zinc/45/57/37/988455737.db2.gz	RPZHPTBFNMAQPB-UHFFFAOYSA-N	1	0	368.485	1.802	20	30		FDEDRO
C[N@@H+]1CCC[C@H](CCNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1	ZINC000873040701	988464827	/nfs/dbraw/zinc/46/48/27/988464827.db2.gz	FILRXSYNWQVNDY-MRXNPFEDSA-N	1	0	356.474	1.517	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)c1	ZINC000294561573	988471888	/nfs/dbraw/zinc/47/18/88/988471888.db2.gz	MJCSDNCYFFZSTG-UHFFFAOYSA-N	1	0	367.453	1.890	20	30		FDEDRO
COC(=O)Cn1cc(CN2CCC(Oc3ccc(C#N)cc3)CC2)nn1	ZINC000294827866	988546233	/nfs/dbraw/zinc/54/62/33/988546233.db2.gz	NFZRGYBRDTYAOX-UHFFFAOYSA-N	1	0	355.398	1.366	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1	ZINC000873104378	988556676	/nfs/dbraw/zinc/55/66/76/988556676.db2.gz	MLSWPZOLVQXQAJ-SMDDNHRTSA-N	1	0	369.343	1.233	20	30		FDEDRO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCN([C@H]2CCOC2)CC1	ZINC000362034538	988566353	/nfs/dbraw/zinc/56/63/53/988566353.db2.gz	YBXOVZIWWPYQAL-NRGCRIOASA-N	1	0	362.518	1.712	20	30		FDEDRO
CCc1nc(CN2C[C@@H]3C[NH+](C[C@H](O)c4ccc(C#N)cc4)C[C@H]3C2)no1	ZINC000366266340	988587671	/nfs/dbraw/zinc/58/76/71/988587671.db2.gz	GYFXYTBUCMYUBI-BZSNNMDCSA-N	1	0	367.453	1.601	20	30		FDEDRO
N#Cc1ccc(C[C@@H](C#N)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1	ZINC000366274610	988594401	/nfs/dbraw/zinc/59/44/01/988594401.db2.gz	UZDXPMNCOKKGSI-OALUTQOASA-N	1	0	366.465	1.858	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000295168669	988621477	/nfs/dbraw/zinc/62/14/77/988621477.db2.gz	AENXYVOPFZAYPN-ICSRJNTNSA-N	1	0	355.482	1.443	20	30		FDEDRO
CC(=O)c1cccc(OC[C@@H](O)C[NH+]2CCC(n3cnc(C#N)n3)CC2)c1	ZINC000366338027	988630817	/nfs/dbraw/zinc/63/08/17/988630817.db2.gz	AFSBDYVWQVMETH-KRWDZBQOSA-N	1	0	369.425	1.429	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(O)(Cc2ccc(C)cc2)CC1	ZINC000366343787	988634117	/nfs/dbraw/zinc/63/41/17/988634117.db2.gz	UWCGCKFZUSCVAX-INIZCTEOSA-N	1	0	359.470	1.765	20	30		FDEDRO
N#Cc1ccc(N2CCCN(c3cc(-n4cccn4)nc(N)[nH+]3)CC2)cc1	ZINC000362362865	988642938	/nfs/dbraw/zinc/64/29/38/988642938.db2.gz	WDJVFXWKCTWKRO-UHFFFAOYSA-N	1	0	360.425	1.833	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CCC[N@@H+](C3CCCCC3)C2)CC1	ZINC000362861281	988754048	/nfs/dbraw/zinc/75/40/48/988754048.db2.gz	YGVQOOOCUOZZSZ-GOSISDBHSA-N	1	0	374.529	1.955	20	30		FDEDRO
CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCC1(CC#N)CC1	ZINC000366798195	988785885	/nfs/dbraw/zinc/78/58/85/988785885.db2.gz	XPCVIRBKANBBEM-HXUWFJFHSA-N	1	0	356.470	1.959	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(Cc3ccccc3)C(=O)C2(C)C)CC1	ZINC000295870592	988795101	/nfs/dbraw/zinc/79/51/01/988795101.db2.gz	CTHWXNOKSBWHIG-UHFFFAOYSA-N	1	0	367.493	1.981	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1CCCN(C(=O)Cc2ccccc2OC)CC1	ZINC000363085596	988911023	/nfs/dbraw/zinc/91/10/23/988911023.db2.gz	ZCVHJWDGIOFSPZ-INIZCTEOSA-N	1	0	359.470	1.463	20	30		FDEDRO
C#CCOCCC(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000367714320	988963081	/nfs/dbraw/zinc/96/30/81/988963081.db2.gz	AHWWBFBUFLVCOQ-HXUWFJFHSA-N	1	0	355.482	1.445	20	30		FDEDRO
C=CCN(Cc1cc(=O)n(C)c(=O)n1C)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000369144427	989030841	/nfs/dbraw/zinc/03/08/41/989030841.db2.gz	PLDMQUVRJORKOG-SFHVURJKSA-N	1	0	368.481	1.347	20	30		FDEDRO
Cc1cc(F)c(C#N)cc1NC(=O)C(=O)NCC1([NH+](C)C)CCOCC1	ZINC000873713048	989042877	/nfs/dbraw/zinc/04/28/77/989042877.db2.gz	FVQVPYNAXRVVGP-UHFFFAOYSA-N	1	0	362.405	1.171	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1C#N	ZINC000873726019	989069561	/nfs/dbraw/zinc/06/95/61/989069561.db2.gz	ZCVQORGHEAENHK-UHFFFAOYSA-N	1	0	370.453	1.982	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)Nc2ncccc2C)C1	ZINC000363299803	989072346	/nfs/dbraw/zinc/07/23/46/989072346.db2.gz	TXNYDNOPDDWRIL-GJZGRUSLSA-N	1	0	373.457	1.441	20	30		FDEDRO
CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCCOc3ccc(C#N)cc3)C2)CC1	ZINC000369790548	989178426	/nfs/dbraw/zinc/17/84/26/989178426.db2.gz	MTRYFQGQERPJPT-QGZVFWFLSA-N	1	0	371.485	1.405	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)C2CCCC2)cc1C#N	ZINC000873810869	989237838	/nfs/dbraw/zinc/23/78/38/989237838.db2.gz	FEEKBNCAKXGARZ-UHFFFAOYSA-N	1	0	358.442	1.838	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@H](C)CC#N)cc2F)CC1	ZINC000873822053	989257377	/nfs/dbraw/zinc/25/73/77/989257377.db2.gz	VDFWKGMIJNNKFA-CYBMUJFWSA-N	1	0	361.421	1.324	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCc1cc(F)ccc1N1CCOCC1	ZINC000296528487	989264775	/nfs/dbraw/zinc/26/47/75/989264775.db2.gz	UJZYKNRZNKWZBR-UHFFFAOYSA-N	1	0	362.449	1.417	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N[C@H](CO)c1ccccc1OC(F)(F)F	ZINC000296808740	989420780	/nfs/dbraw/zinc/42/07/80/989420780.db2.gz	INZFPDCRXRLFJQ-CQSZACIVSA-N	1	0	373.375	1.873	20	30		FDEDRO
CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1CCOc1ccc(C#N)cc1OC	ZINC000364344398	989543477	/nfs/dbraw/zinc/54/34/77/989543477.db2.gz	YIIFYKXNXGYIMA-HZPDHXFCSA-N	1	0	362.426	1.988	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000297560681	989564137	/nfs/dbraw/zinc/56/41/37/989564137.db2.gz	QNTKTSHKUCSZQQ-HDICACEKSA-N	1	0	362.518	1.204	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1CCN(CC[N@@H+]2CCCOCC2)CC1	ZINC000370232092	989570699	/nfs/dbraw/zinc/57/06/99/989570699.db2.gz	VDNCCTIAFNYDEA-UHFFFAOYSA-N	1	0	373.497	1.732	20	30		FDEDRO
CN(C(=O)CN1CCN([C@H]2CCC[N@H+](C)C2)CC1)C1(C#N)CCCCC1	ZINC000364548607	989640322	/nfs/dbraw/zinc/64/03/22/989640322.db2.gz	WSARFJOUWZZERL-SFHVURJKSA-N	1	0	361.534	1.383	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCCNC(=O)[C@H]2Cc2ccccc2)CC1	ZINC000297819273	989709603	/nfs/dbraw/zinc/70/96/03/989709603.db2.gz	XKEOKHALJZQLEA-LJQANCHMSA-N	1	0	370.497	1.780	20	30		FDEDRO
CC[NH+](CC)CCN(CC(C)C)C(=O)C(=NOC)c1csc(N)n1	ZINC000874100092	989747164	/nfs/dbraw/zinc/74/71/64/989747164.db2.gz	GBZJHXWIAGVTSW-UHFFFAOYSA-N	1	0	355.508	1.902	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H]2CCN(C(=O)c3cccnc3)C2)CC1	ZINC000370514669	989799874	/nfs/dbraw/zinc/79/98/74/989799874.db2.gz	ZYFRHWMCMUKXHM-KRWDZBQOSA-N	1	0	357.458	1.246	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)c1	ZINC000874178849	989899778	/nfs/dbraw/zinc/89/97/78/989899778.db2.gz	WBYQOQGNLUQLNK-UHFFFAOYSA-N	1	0	369.469	1.044	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)OC)CC1	ZINC000298193715	989951597	/nfs/dbraw/zinc/95/15/97/989951597.db2.gz	BPUKRMVIKUDPJB-NXHRZFHOSA-N	1	0	364.486	1.866	20	30		FDEDRO
C=CCc1cc(C[NH+]2CCC(N3CCN(C)CC3=O)CC2)cc(OC)c1O	ZINC000365018280	989961794	/nfs/dbraw/zinc/96/17/94/989961794.db2.gz	KZZGFVHPZCGLIR-UHFFFAOYSA-N	1	0	373.497	1.868	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1	ZINC000370759524	989972874	/nfs/dbraw/zinc/97/28/74/989972874.db2.gz	NFPFEDNPJPVHIP-IEZWGBDMSA-N	1	0	357.454	1.943	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1	ZINC000370761210	989973796	/nfs/dbraw/zinc/97/37/96/989973796.db2.gz	VOXOFBPYGWOROI-DLBZAZTESA-N	1	0	373.453	1.563	20	30		FDEDRO
N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1	ZINC000365048420	989985278	/nfs/dbraw/zinc/98/52/78/989985278.db2.gz	YNLRTNVCQFQSJG-HKUYNNGSSA-N	1	0	366.465	1.650	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1	ZINC000298615381	990197562	/nfs/dbraw/zinc/19/75/62/990197562.db2.gz	IKDJDUGJNOQDBO-IBGZPJMESA-N	1	0	368.481	1.994	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)CC1	ZINC000371414724	990414923	/nfs/dbraw/zinc/41/49/23/990414923.db2.gz	LGKADQXRKZSUEL-ZWKOTPCHSA-N	1	0	361.490	1.668	20	30		FDEDRO
CO/N=C/c1ccc(C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cc1	ZINC000371461681	990448073	/nfs/dbraw/zinc/44/80/73/990448073.db2.gz	ZQEROWBXYCUITL-YIRPMMGJSA-N	1	0	358.486	1.907	20	30		FDEDRO
CC[NH+]=C(NCc1c(C)nn(C)c1C)N1CC[C@@H](CN2CCOCC2)C1	ZINC000125131584	990499313	/nfs/dbraw/zinc/49/93/13/990499313.db2.gz	LJHFMQAOMLQBBC-KRWDZBQOSA-N	1	0	362.522	1.157	20	30		FDEDRO
Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CNC(=O)C1(C#N)CCCCC1	ZINC000371590275	990552458	/nfs/dbraw/zinc/55/24/58/990552458.db2.gz	MTAYAIYFSITVMN-UHFFFAOYSA-N	1	0	372.517	1.961	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)cc1	ZINC000874845404	990571091	/nfs/dbraw/zinc/57/10/91/990571091.db2.gz	GIEZMILSXLIVKC-IAGOWNOFSA-N	1	0	363.483	1.460	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1	ZINC000874993566	990694471	/nfs/dbraw/zinc/69/44/71/990694471.db2.gz	FBUOJQHUWKVXFE-HUUCEWRRSA-N	1	0	363.483	1.156	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000875040325	990777502	/nfs/dbraw/zinc/77/75/02/990777502.db2.gz	KZZUZNQRFFTHHE-QGZVFWFLSA-N	1	0	365.518	1.855	20	30		FDEDRO
CCC[N@H+](CC)CCNC(=O)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000372217659	990967014	/nfs/dbraw/zinc/96/70/14/990967014.db2.gz	QGNSIBSLVFRNPZ-FOIQADDNSA-N	1	0	369.469	1.773	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC000372621471	991274563	/nfs/dbraw/zinc/27/45/63/991274563.db2.gz	VHWGRZRFSBLXOI-LSDHHAIUSA-N	1	0	359.401	1.519	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1	ZINC000372810802	991552506	/nfs/dbraw/zinc/55/25/06/991552506.db2.gz	WUNSGXNLKVHZTD-SNRMKQJTSA-N	1	0	360.433	1.742	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO	ZINC000875477387	991610544	/nfs/dbraw/zinc/61/05/44/991610544.db2.gz	YIPWOTUGXKZVFX-RBUKOAKNSA-N	1	0	359.470	1.481	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1CCc2c(C(=O)OC)ccc(OC)c2C1	ZINC000875622275	991819239	/nfs/dbraw/zinc/81/92/39/991819239.db2.gz	HGAABVGVIFFSOR-UHFFFAOYSA-N	1	0	373.453	1.505	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000410911915	991988994	/nfs/dbraw/zinc/98/89/94/991988994.db2.gz	SHTIWFYHPSRNID-LJQANCHMSA-N	1	0	373.497	1.628	20	30		FDEDRO
Cc1cc(C)c(C#N)c(NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)n1	ZINC000875817027	992030988	/nfs/dbraw/zinc/03/09/88/992030988.db2.gz	GOKYUORAZCGRRC-RDJZCZTQSA-N	1	0	352.442	1.978	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000875917758	992189674	/nfs/dbraw/zinc/18/96/74/992189674.db2.gz	FWJLNNUSDAPTNK-AQNXPRMDSA-N	1	0	373.497	1.597	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1	ZINC000875919651	992191969	/nfs/dbraw/zinc/19/19/69/992191969.db2.gz	MXEIMLYIUDCCLW-XDNAFOTISA-N	1	0	351.491	1.698	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1	ZINC000876072615	992279152	/nfs/dbraw/zinc/27/91/52/992279152.db2.gz	YVBHQZSWINICMF-QRVBRYPASA-N	1	0	360.502	1.779	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H](c2nc(C)no2)C2CCOCC2)CC1	ZINC000373548234	992280033	/nfs/dbraw/zinc/28/00/33/992280033.db2.gz	YWYSTNUXEJFORP-MRXNPFEDSA-N	1	0	363.462	1.795	20	30		FDEDRO
CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1	ZINC000876282782	992522065	/nfs/dbraw/zinc/52/20/65/992522065.db2.gz	XVWFRMRMXLNIMW-LJQANCHMSA-N	1	0	369.513	1.741	20	30		FDEDRO
COC(=O)[C@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@H+](C)C1	ZINC000411924040	992706304	/nfs/dbraw/zinc/70/63/04/992706304.db2.gz	XGLHLEMPHJQGBG-GOSISDBHSA-N	1	0	367.453	1.495	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCN(C(=O)N2CCCC2)CC1	ZINC000876571591	992711893	/nfs/dbraw/zinc/71/18/93/992711893.db2.gz	NYYDYVBMKLZKJU-SFHVURJKSA-N	1	0	367.453	1.105	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1	ZINC000876575092	992713798	/nfs/dbraw/zinc/71/37/98/992713798.db2.gz	UBJKQZSAMXAKAE-ZDUSSCGKSA-N	1	0	365.817	1.170	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)CC1	ZINC000411930475	992720434	/nfs/dbraw/zinc/72/04/34/992720434.db2.gz	ZHDJAOCATFFBCK-UFYCRDLUSA-N	1	0	370.497	1.487	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@@H](O)COc1cccc(F)c1	ZINC000876586651	992721940	/nfs/dbraw/zinc/72/19/40/992721940.db2.gz	HBEHQUVOBXCMRT-VQIMIIECSA-N	1	0	369.396	1.440	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(OCC(=O)N(C)C)c(OC)c1	ZINC000876603883	992734631	/nfs/dbraw/zinc/73/46/31/992734631.db2.gz	DHLUQJYALPTUFQ-ZDUSSCGKSA-N	1	0	369.849	1.248	20	30		FDEDRO
C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCC(C#N)(c2ccccn2)CC1	ZINC000374295159	992756713	/nfs/dbraw/zinc/75/67/13/992756713.db2.gz	TVRQBOBPCHCVCJ-HNNXBMFYSA-N	1	0	369.469	1.064	20	30		FDEDRO
CCCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876633344	992758702	/nfs/dbraw/zinc/75/87/02/992758702.db2.gz	AUDVXYXQISBTKC-IEBWSBKVSA-N	1	0	368.481	1.900	20	30		FDEDRO
C[C@H]1CN(C(=O)Cc2cccc(OCC#N)c2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000374314708	992768361	/nfs/dbraw/zinc/76/83/61/992768361.db2.gz	DIBPGEIUDNMYEB-PXNSSMCTSA-N	1	0	370.497	1.616	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1	ZINC000876709828	992815207	/nfs/dbraw/zinc/81/52/07/992815207.db2.gz	AYONUCALWMQNPY-HNNXBMFYSA-N	1	0	368.840	1.378	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1	ZINC000876714388	992820305	/nfs/dbraw/zinc/82/03/05/992820305.db2.gz	XBQFLWWGIJSUKM-OAHLLOKOSA-N	1	0	356.898	1.003	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC1CCN(CC(F)(F)F)CC1	ZINC000876718930	992828209	/nfs/dbraw/zinc/82/82/09/992828209.db2.gz	ZFOFQSFUHZSFOZ-MRXNPFEDSA-N	1	0	366.387	1.888	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)N1C(=O)c2ccccc2C1=O	ZINC000412175178	992853576	/nfs/dbraw/zinc/85/35/76/992853576.db2.gz	OEDXSTWUCWSEEJ-CQSZACIVSA-N	1	0	356.426	1.365	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1	ZINC000876759685	992882264	/nfs/dbraw/zinc/88/22/64/992882264.db2.gz	QFBAGNYNIHHDDD-DLBZAZTESA-N	1	0	351.878	1.516	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cccc(CC(=O)N2CCN(C)CC2)c1	ZINC000876778089	992903549	/nfs/dbraw/zinc/90/35/49/992903549.db2.gz	WJKFKEUVPBMQAP-INIZCTEOSA-N	1	0	364.877	1.412	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](c1cccs1)N1CCN(C)CC1	ZINC000876779763	992905207	/nfs/dbraw/zinc/90/52/07/992905207.db2.gz	MHXDIVHJEHDVEB-ZIAGYGMSSA-N	1	0	356.923	1.623	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](CC[NH3+])C2)s1	ZINC000876837517	992931164	/nfs/dbraw/zinc/93/11/64/992931164.db2.gz	IZDCHBMJYPSMHO-CYBMUJFWSA-N	1	0	371.528	1.342	20	30		FDEDRO
C[C@@H]1CN(CCN(C)C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C[C@H](C)O1	ZINC000876882522	992947846	/nfs/dbraw/zinc/94/78/46/992947846.db2.gz	KEWCCIBISIDJPR-ZRGWGRIASA-N	1	0	356.470	1.313	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[C@H](OCc2ccccn2)C1	ZINC000876900803	992959121	/nfs/dbraw/zinc/95/91/21/992959121.db2.gz	RHFQVYKDMPHMPO-ICSRJNTNSA-N	1	0	362.433	1.958	20	30		FDEDRO
Cn1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1=O	ZINC000374865996	992959454	/nfs/dbraw/zinc/95/94/54/992959454.db2.gz	UAMAXVPBLDAGMM-UHFFFAOYSA-N	1	0	350.422	1.673	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN(C)[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000374921366	992968033	/nfs/dbraw/zinc/96/80/33/992968033.db2.gz	XWSLFRCPSFCMSQ-WMZOPIPTSA-N	1	0	374.485	1.220	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NC1(CN2CCN(c3ccccc3)CC2)CC1	ZINC000876971683	992990203	/nfs/dbraw/zinc/99/02/03/992990203.db2.gz	RSCNLWRQJXJJSD-QGZVFWFLSA-N	1	0	362.905	1.927	20	30		FDEDRO
O=C(NCC[NH2+]C1CCC(O)(c2ccccc2)CC1)C1N=CC=CC1=O	ZINC000375171494	993014402	/nfs/dbraw/zinc/01/44/02/993014402.db2.gz	PQRNTEMAOJGESK-HNENSFHCSA-N	1	0	355.438	1.933	20	30		FDEDRO
C=C(Cl)C[C@H](NC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)C(=O)OCC	ZINC000877144536	993068857	/nfs/dbraw/zinc/06/88/57/993068857.db2.gz	PARQJDHCJIZPOE-OLZOCXBDSA-N	1	0	369.853	1.397	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2	ZINC000877194798	993097607	/nfs/dbraw/zinc/09/76/07/993097607.db2.gz	WUAOBACYXZJQPE-ZNMIVQPWSA-N	1	0	358.504	1.965	20	30		FDEDRO
COC[C@@]1(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)CCCC[NH2+]1	ZINC000877215060	993111710	/nfs/dbraw/zinc/11/17/10/993111710.db2.gz	IYQLIFGILOCQKA-LJQANCHMSA-N	1	0	353.426	1.900	20	30		FDEDRO
COc1cccc([C@H]([NH3+])C(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1	ZINC000877251009	993149506	/nfs/dbraw/zinc/14/95/06/993149506.db2.gz	WARLGWDVIZVJSR-IBGZPJMESA-N	1	0	350.422	1.915	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC000877296486	993193444	/nfs/dbraw/zinc/19/34/44/993193444.db2.gz	GBYCBHILCHNQQR-HXUWFJFHSA-N	1	0	372.432	1.361	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCO[C@H](C(F)(F)F)CC1	ZINC000877382681	993263576	/nfs/dbraw/zinc/26/35/76/993263576.db2.gz	RYKSKSRYPHSNJB-GJZGRUSLSA-N	1	0	353.344	1.925	20	30		FDEDRO
C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000467608678	993337288	/nfs/dbraw/zinc/33/72/88/993337288.db2.gz	POEFEAMUDRZICN-AWEZNQCLSA-N	1	0	370.457	1.375	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCc1nc(C)no1	ZINC001095556311	993440199	/nfs/dbraw/zinc/44/01/99/993440199.db2.gz	KWCIGBRQUBXSSK-OWSLCNJRSA-N	1	0	371.485	1.130	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(C(C)C)no1	ZINC001095556543	993446959	/nfs/dbraw/zinc/44/69/59/993446959.db2.gz	XQWRFWYRHHJPQG-QZWWFDLISA-N	1	0	371.485	1.512	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(-c3cccc(C#N)c3)no2)CC1	ZINC000468241979	993501322	/nfs/dbraw/zinc/50/13/22/993501322.db2.gz	AXOKDELZZIXETQ-HNNXBMFYSA-N	1	0	367.453	1.969	20	30		FDEDRO
C=CC[C@H](C)[NH+]1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1	ZINC000878251711	993838142	/nfs/dbraw/zinc/83/81/42/993838142.db2.gz	RDZRURVCLKTPHK-KRWDZBQOSA-N	1	0	351.516	1.856	20	30		FDEDRO
C=CC[C@H](C(=O)OC)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000878606669	994056852	/nfs/dbraw/zinc/05/68/52/994056852.db2.gz	NONKHYASVHPMBX-VQTJNVASSA-N	1	0	357.498	1.996	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@]3(C2)CCCC[NH2+]3)c1	ZINC000923732997	994236151	/nfs/dbraw/zinc/23/61/51/994236151.db2.gz	ZOMPNKOGTZXFFN-SFHVURJKSA-N	1	0	363.483	1.509	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1	ZINC000965119801	1015846361	/nfs/dbraw/zinc/84/63/61/1015846361.db2.gz	HBAZMFYYPLPEGW-MIKZSQDASA-N	1	0	370.428	1.336	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)N[C@@H]1CCC[N@@H+]3CCSC[C@H]13)C2	ZINC000923942982	994284876	/nfs/dbraw/zinc/28/48/76/994284876.db2.gz	PXXWGKFCUOXWAE-KZNAEPCWSA-N	1	0	356.495	1.904	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)CC1	ZINC000879114765	994550784	/nfs/dbraw/zinc/55/07/84/994550784.db2.gz	ZVBKQGKWUKPKFP-QGZVFWFLSA-N	1	0	367.852	1.270	20	30		FDEDRO
C[C@H](CC(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cc(C#N)ccc1F	ZINC001110893312	994598519	/nfs/dbraw/zinc/59/85/19/994598519.db2.gz	FMUMSJGCFZLQBI-PREXVCJDSA-N	1	0	358.417	1.430	20	30		FDEDRO
Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(C#N)cc2)cn1	ZINC000879190118	994615732	/nfs/dbraw/zinc/61/57/32/994615732.db2.gz	JKQZADABHDTFHR-ZWKOTPCHSA-N	1	0	353.426	1.220	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCc2c(CC(N)=O)cccc2C1	ZINC000879233542	994678792	/nfs/dbraw/zinc/67/87/92/994678792.db2.gz	BXDLZQCFJZQZAY-SFHVURJKSA-N	1	0	365.433	1.384	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)NCCCCCN1CC[NH2+]CC1	ZINC000923680326	994698508	/nfs/dbraw/zinc/69/85/08/994698508.db2.gz	VUAGHQUMGHYICI-UHFFFAOYSA-N	1	0	350.488	1.221	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(CC(=O)[C@@H](C#N)c3nc4ccccc4c(=O)[nH]3)CC[C@@H]21	ZINC000879578362	995037134	/nfs/dbraw/zinc/03/71/34/995037134.db2.gz	SMZIESWAPKMWOW-UNEWFSDZSA-N	1	0	365.437	1.538	20	30		FDEDRO
C#C[C@@H](C)N(C)C(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000924883773	995096983	/nfs/dbraw/zinc/09/69/83/995096983.db2.gz	UGEQGZJSYBWMQF-CQSZACIVSA-N	1	0	352.479	1.639	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1=O	ZINC000925079299	995277003	/nfs/dbraw/zinc/27/70/03/995277003.db2.gz	ITKKCRMLILACHU-KRWDZBQOSA-N	1	0	358.442	1.061	20	30		FDEDRO
C=C(Cl)C[C@H]1NC(=O)N(CC2([NH+]3CCCCC3)CCN(C)CC2)C1=O	ZINC000925328867	995501220	/nfs/dbraw/zinc/50/12/20/995501220.db2.gz	IRYLLYZWXITQNF-OAHLLOKOSA-N	1	0	368.909	2.000	20	30		FDEDRO
N#C[C@H]1CCCN(C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)C1	ZINC000926169048	995954845	/nfs/dbraw/zinc/95/48/45/995954845.db2.gz	XETYVTGSSWORHP-MRXNPFEDSA-N	1	0	357.458	1.738	20	30		FDEDRO
CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3cc(C)c(C#N)cn3)C2)[C@H]1C(C)C	ZINC000926236443	995984842	/nfs/dbraw/zinc/98/48/42/995984842.db2.gz	OLRZJSPRQMIOQQ-SOAMZJECSA-N	1	0	356.470	1.861	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2	ZINC000926323005	996054649	/nfs/dbraw/zinc/05/46/49/996054649.db2.gz	YUFAQYAQFKJSFW-NRFANRHFSA-N	1	0	355.482	1.988	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(S(=O)(=O)CC(N)=O)cc1	ZINC000926344762	996073135	/nfs/dbraw/zinc/07/31/35/996073135.db2.gz	XXABLVWZAQHXLJ-XUWXXGDYSA-N	1	0	366.483	1.577	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+][C@H](CC)C(N)=O)C2	ZINC000965381465	1016016725	/nfs/dbraw/zinc/01/67/25/1016016725.db2.gz	UXSMOACBPWZKBT-SIWCOCFESA-N	1	0	363.502	1.639	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1	ZINC000926788554	996302866	/nfs/dbraw/zinc/30/28/66/996302866.db2.gz	IBFOTHJFKAMRJX-LJQANCHMSA-N	1	0	373.497	1.741	20	30		FDEDRO
CCO[C@@H](CNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)C[NH+](C)C	ZINC000926837758	996332568	/nfs/dbraw/zinc/33/25/68/996332568.db2.gz	VLLUTJCWHMYYPP-OALUTQOASA-N	1	0	373.501	1.373	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1	ZINC000887040692	996862568	/nfs/dbraw/zinc/86/25/68/996862568.db2.gz	ILLBPKPTOPHHOK-QRWLVFNGSA-N	1	0	370.453	1.908	20	30		FDEDRO
C#CCC1([NH2+]CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CCOCC1	ZINC000887123256	996953369	/nfs/dbraw/zinc/95/33/69/996953369.db2.gz	HCLZZXMKQLKTNX-UHFFFAOYSA-N	1	0	363.845	1.930	20	30		FDEDRO
C#CCC1([NH2+]C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)CCOCC1	ZINC000887122118	996953774	/nfs/dbraw/zinc/95/37/74/996953774.db2.gz	LKUZFAXUUULMQB-INIZCTEOSA-N	1	0	358.438	1.473	20	30		FDEDRO
C#CCC1([NH2+]Cc2cc(=O)n3ncc(C(=O)OCC)c3[nH]2)CCOCC1	ZINC000887123358	996954378	/nfs/dbraw/zinc/95/43/78/996954378.db2.gz	LIDCKUMYLYISGW-UHFFFAOYSA-N	1	0	358.398	1.274	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N(C)Cc2cccc(OC)c2OC)CCOCC1	ZINC000887126084	996956249	/nfs/dbraw/zinc/95/62/49/996956249.db2.gz	VXLIGHJSBUFWJA-UHFFFAOYSA-N	1	0	360.454	1.824	20	30		FDEDRO
C=CCC1(O)CCN([C@@H]2CC(=O)N(Cc3ccccc3OC)C2=O)CC1	ZINC000887305871	997137652	/nfs/dbraw/zinc/13/76/52/997137652.db2.gz	BPHIVHDMMVIPKB-MRXNPFEDSA-N	1	0	358.438	1.726	20	30		FDEDRO
CCOCCC[NH+]=C(NCC(=O)NC1CC1)NCc1ccc(OC)cc1	ZINC000263935393	997358089	/nfs/dbraw/zinc/35/80/89/997358089.db2.gz	BNPMYZSAQDTCGO-UHFFFAOYSA-N	1	0	362.474	1.436	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NCC(=O)NCCc2ccccc2)cc1OC	ZINC000264079795	997397784	/nfs/dbraw/zinc/39/77/84/997397784.db2.gz	GXUPEFPXCOBZDZ-UHFFFAOYSA-N	1	0	356.426	1.789	20	30		FDEDRO
COc1ccc([C@@H](O)CNC(=[NH2+])NCc2ccc(OC)c(OC)c2)cc1	ZINC000264083134	997398333	/nfs/dbraw/zinc/39/83/33/997398333.db2.gz	ICXOYVFRRDOTLC-INIZCTEOSA-N	1	0	359.426	1.850	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCCNC(=O)c2ccco2)cc1OC	ZINC000264096262	997401660	/nfs/dbraw/zinc/40/16/60/997401660.db2.gz	LXTFXPUBMXEWHE-UHFFFAOYSA-N	1	0	360.414	1.174	20	30		FDEDRO
CC[C@@H](C)NC(=[NH2+])NCc1cccc(NC(=O)CCN2CCOCC2)c1	ZINC000264118668	997405566	/nfs/dbraw/zinc/40/55/66/997405566.db2.gz	UFCDVNDXWZYYAK-OAHLLOKOSA-N	1	0	361.490	1.550	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCc2ccc(N(C)C)nc2)cc1OC	ZINC000264134315	997410135	/nfs/dbraw/zinc/41/01/35/997410135.db2.gz	ZFNGTTVZDYYJTP-UHFFFAOYSA-N	1	0	357.458	1.812	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NC2CC[NH+](CCCOC)CC2)c1	ZINC000264795191	997612237	/nfs/dbraw/zinc/61/22/37/997612237.db2.gz	WZPARYODLREKIB-UHFFFAOYSA-N	1	0	373.453	1.254	20	30		FDEDRO
CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCO[C@](C)(C#N)C3)cc2)CC1	ZINC000887673245	997630811	/nfs/dbraw/zinc/63/08/11/997630811.db2.gz	RFXOABJMYJXLIF-HXUWFJFHSA-N	1	0	356.470	1.972	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(CCC(=O)N2CCO[C@](C)(C#N)C2)CC1	ZINC000887678742	997640587	/nfs/dbraw/zinc/64/05/87/997640587.db2.gz	ISZKVUSWOHFGLC-GOSISDBHSA-N	1	0	366.462	1.070	20	30		FDEDRO
COc1cc(/C=C/C(=O)N2CCO[C@H](C[NH+](C)C)C2)ccc1OCC#N	ZINC000265404080	997782505	/nfs/dbraw/zinc/78/25/05/997782505.db2.gz	YGTLLRXNKOLXMJ-BIENSFFJSA-N	1	0	359.426	1.400	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)Cc2cc(C#N)cs2)CC1=O	ZINC000887970524	997987196	/nfs/dbraw/zinc/98/71/96/997987196.db2.gz	CQHLKYCJYMSBLB-HOTGVXAUSA-N	1	0	374.510	1.911	20	30		FDEDRO
C#CC[C@@H]1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1	ZINC000888016321	998022826	/nfs/dbraw/zinc/02/28/26/998022826.db2.gz	HWRKHKQMOLVWKP-GOSISDBHSA-N	1	0	355.486	1.649	20	30		FDEDRO
Cc1nc(-c2ccn(C)n2)sc1CC(=O)NC1(C#N)CC[NH+](C)CC1	ZINC000889742327	998566620	/nfs/dbraw/zinc/56/66/20/998566620.db2.gz	QTBBFOXCBMLQAE-UHFFFAOYSA-N	1	0	358.471	1.499	20	30		FDEDRO
Cc1c(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)cnn1CCC#N	ZINC000889763747	998617894	/nfs/dbraw/zinc/61/78/94/998617894.db2.gz	ZBOLHRLXDJPBNU-UHFFFAOYSA-N	1	0	356.430	1.371	20	30		FDEDRO
N#CCn1c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cc2ccccc21	ZINC000889768106	998626718	/nfs/dbraw/zinc/62/67/18/998626718.db2.gz	CNCOFHUNCNMGJL-ROUUACIJSA-N	1	0	352.438	1.836	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(C2CC2)c(C#N)c1	ZINC000889992191	998761807	/nfs/dbraw/zinc/76/18/07/998761807.db2.gz	BABTXGDZPCERNS-CQSZACIVSA-N	1	0	369.469	1.126	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)n1	ZINC000890021220	998778431	/nfs/dbraw/zinc/77/84/31/998778431.db2.gz	WITSMSHQZNOEJJ-UHFFFAOYSA-N	1	0	355.442	1.563	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1	ZINC000890028945	998782747	/nfs/dbraw/zinc/78/27/47/998782747.db2.gz	PDCFPNBZVYQDKJ-PBHICJAKSA-N	1	0	367.453	1.561	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)N(CCOC)CC2CC[NH+](C)CC2)C1	ZINC000890361521	998913685	/nfs/dbraw/zinc/91/36/85/998913685.db2.gz	SWFFVXYVVKNDCS-GOSISDBHSA-N	1	0	350.507	1.084	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNc3ncccc3C#N)C2)CC[N@@H+]1C	ZINC001066687982	999026073	/nfs/dbraw/zinc/02/60/73/999026073.db2.gz	QRUHRBGNUOAJPP-IXDOHACOSA-N	1	0	357.458	1.323	20	30		FDEDRO
C[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)Oc1ccc(F)cc1	ZINC000267435134	999334715	/nfs/dbraw/zinc/33/47/15/999334715.db2.gz	NSIFZRZSWXANDX-AWEZNQCLSA-N	1	0	358.421	1.520	20	30		FDEDRO
C#CCCCC[NH2+]Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1	ZINC000268215619	999434776	/nfs/dbraw/zinc/43/47/76/999434776.db2.gz	PXQVIQDIPVBTFT-UHFFFAOYSA-N	1	0	360.454	1.826	20	30		FDEDRO
COc1ccc(C[C@@H](C)CNC(=[NH2+])N2CCN(c3ncccn3)CC2)cc1	ZINC000270410518	999555431	/nfs/dbraw/zinc/55/54/31/999555431.db2.gz	HZFVXSBRJUYIPC-MRXNPFEDSA-N	1	0	368.485	1.801	20	30		FDEDRO
C=CCOc1ccc(CN2CC[NH+](CCC(=O)N(C)C)CC2)cc1OC	ZINC000271165089	999669673	/nfs/dbraw/zinc/66/96/73/999669673.db2.gz	BMSKGCPYDPOARG-UHFFFAOYSA-N	1	0	361.486	1.856	20	30		FDEDRO
COC(=O)CC[N@@H+]1CCN(CCOc2ccc(C#N)cc2OC)[C@@H](C)C1	ZINC000271683267	999724819	/nfs/dbraw/zinc/72/48/19/999724819.db2.gz	CWVUNDVDGMPQSU-HNNXBMFYSA-N	1	0	361.442	1.515	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N(C)Cc1cnn(C)c1)C(C)C	ZINC000283158518	999741492	/nfs/dbraw/zinc/74/14/92/999741492.db2.gz	KMBBUZRWVYAJTE-KRWDZBQOSA-N	1	0	361.490	1.193	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1	ZINC000283447809	999754289	/nfs/dbraw/zinc/75/42/89/999754289.db2.gz	MKCKZNDWRDMNHA-GOSISDBHSA-N	1	0	359.470	1.649	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)NCc1ncccc1C)C(C)C	ZINC000284050165	999775748	/nfs/dbraw/zinc/77/57/48/999775748.db2.gz	MTNDWMUAEPYFIC-SFHVURJKSA-N	1	0	358.486	1.821	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCCOCCc2ccccc2)CC1	ZINC000284295458	999800343	/nfs/dbraw/zinc/80/03/43/999800343.db2.gz	BHZZYJYQOUZIOD-UHFFFAOYSA-N	1	0	373.497	1.519	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)c1	ZINC000284866939	999875645	/nfs/dbraw/zinc/87/56/45/999875645.db2.gz	PPPGEBIHFYIEKI-VQTJNVASSA-N	1	0	370.497	1.955	20	30		FDEDRO
C#CCNc1nc(N[C@H](C)[C@@H]2CCOC2)[nH+]c(N[C@H](C)[C@@H]2CCOC2)n1	ZINC000286017067	999931607	/nfs/dbraw/zinc/93/16/07/999931607.db2.gz	AFZAHENJHTUTEY-KBUPBQIOSA-N	1	0	360.462	1.591	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCc3ccc(OC)cc3C2)CC1	ZINC000286441625	999944546	/nfs/dbraw/zinc/94/45/46/999944546.db2.gz	HATIJSZDPPTHJM-UHFFFAOYSA-N	1	0	357.454	1.347	20	30		FDEDRO
N#CCCCCNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000286772066	999950531	/nfs/dbraw/zinc/95/05/31/999950531.db2.gz	QXYGBOIWPNFWJI-SFHVURJKSA-N	1	0	372.469	1.204	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCc2ccc3[nH]ccc3c2)CC1	ZINC000286855551	999952928	/nfs/dbraw/zinc/95/29/28/999952928.db2.gz	ZFSJLZMTEMHPOY-UHFFFAOYSA-N	1	0	368.481	1.983	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2c[nH]c3cccc(C)c23)CC1	ZINC000287003501	999953837	/nfs/dbraw/zinc/95/38/37/999953837.db2.gz	UQIBXPJIEUYEAU-UHFFFAOYSA-N	1	0	368.481	1.902	20	30		FDEDRO
C#CC[C@@H](Cc1ccccc1)NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O	ZINC000287324071	999956375	/nfs/dbraw/zinc/95/63/75/999956375.db2.gz	KOBKIALYVHXYBB-ROUUACIJSA-N	1	0	356.470	1.260	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1	ZINC000287358795	999956821	/nfs/dbraw/zinc/95/68/21/999956821.db2.gz	NJDRYJLHRZODSV-QRQLOZEOSA-N	1	0	373.497	1.721	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](CCC)C1	ZINC000287414273	999957411	/nfs/dbraw/zinc/95/74/11/999957411.db2.gz	QJBZGXJEVFMYJX-INIZCTEOSA-N	1	0	359.470	1.716	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccnc(OC)c1)C(C)C	ZINC000287499324	999958233	/nfs/dbraw/zinc/95/82/33/999958233.db2.gz	QPZWAFWMDBSIAC-MRXNPFEDSA-N	1	0	360.458	1.844	20	30		FDEDRO
C#CCC(CC#C)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	ZINC000287496007	999958242	/nfs/dbraw/zinc/95/82/42/999958242.db2.gz	GHIZMZOHLFLEPO-UHFFFAOYSA-N	1	0	357.498	1.490	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2ccncc2OC[C@H]2CCOC2)CC1	ZINC000287486391	999958264	/nfs/dbraw/zinc/95/82/64/999958264.db2.gz	DBDVFHBZUYVJQP-INIZCTEOSA-N	1	0	374.485	1.947	20	30		FDEDRO
C[NH+]1CCC(Oc2ccc(CNC(=O)N3CCO[C@@H](C#N)C3)cc2)CC1	ZINC000287725108	999959279	/nfs/dbraw/zinc/95/92/79/999959279.db2.gz	HASUAWPQZYRZKA-SFHVURJKSA-N	1	0	358.442	1.594	20	30		FDEDRO
C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCCn1cnc(C#N)n1	ZINC000287961909	999976728	/nfs/dbraw/zinc/97/67/28/999976728.db2.gz	VASKTZPRTXFVHW-UHFFFAOYSA-N	1	0	355.446	1.360	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1	ZINC000288439452	1000017101	/nfs/dbraw/zinc/01/71/01/1000017101.db2.gz	NYJMXMIICQQGSH-HCXYKTFWSA-N	1	0	371.481	1.645	20	30		FDEDRO
C#CCC(CC#C)C(=O)N1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000288496311	1000021465	/nfs/dbraw/zinc/02/14/65/1000021465.db2.gz	FYOMYMYEGJVPGX-SFHVURJKSA-N	1	0	373.497	1.803	20	30		FDEDRO
CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cc(C)n(CCC#N)n1	ZINC000289035074	1000070297	/nfs/dbraw/zinc/07/02/97/1000070297.db2.gz	NBGWALDLSCWKQA-UHFFFAOYSA-N	1	0	360.462	1.378	20	30		FDEDRO
C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[NH+](CC)CC1	ZINC000289825863	1000120711	/nfs/dbraw/zinc/12/07/11/1000120711.db2.gz	WLKIJUYGKFNNFR-UHFFFAOYSA-N	1	0	365.445	1.249	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)C(=O)NCc1ccc(OCC#N)cc1	ZINC000291187577	1000173769	/nfs/dbraw/zinc/17/37/69/1000173769.db2.gz	HUHGJCLJLJLGPZ-UHFFFAOYSA-N	1	0	361.490	1.614	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c1	ZINC000927843256	1001101018	/nfs/dbraw/zinc/10/10/18/1001101018.db2.gz	WKZPGYCQVXFYGB-STQMWFEESA-N	1	0	354.332	1.429	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1	ZINC000927849772	1001116518	/nfs/dbraw/zinc/11/65/18/1001116518.db2.gz	WFSYJTJUZVAPDO-KBPBESRZSA-N	1	0	369.343	1.375	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCNC(C)=O	ZINC001110933615	1001204754	/nfs/dbraw/zinc/20/47/54/1001204754.db2.gz	OSZOAELZJDEFCH-MLHJIOFPSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCN1CC[C@@H](N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(C(F)F)CCC2)C3)C1=O	ZINC001110943762	1001456245	/nfs/dbraw/zinc/45/62/45/1001456245.db2.gz	FBMLDGNSRWHQOL-APIJFGDWSA-N	1	0	367.440	1.930	20	30		FDEDRO
C=CCCC[C@H](NC(=O)c1cccc(N2CC[NH+](C)CC2)n1)C(=O)OC	ZINC000928315762	1001490816	/nfs/dbraw/zinc/49/08/16/1001490816.db2.gz	DVGLOZAEWTYAKR-INIZCTEOSA-N	1	0	360.458	1.461	20	30		FDEDRO
C=CCCC[C@@H](NC(=O)c1cccc(N2CC[NH+](C)CC2)n1)C(=O)OC	ZINC000928315763	1001490924	/nfs/dbraw/zinc/49/09/24/1001490924.db2.gz	DVGLOZAEWTYAKR-MRXNPFEDSA-N	1	0	360.458	1.461	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCN(CC(F)(F)F)C1)C2	ZINC001110945165	1001505441	/nfs/dbraw/zinc/50/54/41/1001505441.db2.gz	AEQZCYPQQVIUNG-FPCVCCKLSA-N	1	0	373.419	1.242	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H](O)[C@](O)(c2ccccc2)C(F)(F)F)CC1	ZINC000928648503	1001606372	/nfs/dbraw/zinc/60/63/72/1001606372.db2.gz	MGWNZYCQWMQVQR-NVXWUHKLSA-N	1	0	370.371	1.011	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cn3c(Br)cnc3s2)CC1	ZINC000928650734	1001608709	/nfs/dbraw/zinc/60/87/09/1001608709.db2.gz	HDDMPSKQEYBFGP-UHFFFAOYSA-N	1	0	367.272	1.986	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)CC1	ZINC000928658349	1001613735	/nfs/dbraw/zinc/61/37/35/1001613735.db2.gz	GLGBJSSANZHFQK-UHFFFAOYSA-N	1	0	370.478	1.540	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)COc2ccc(Br)cn2)CC1	ZINC000928660095	1001615137	/nfs/dbraw/zinc/61/51/37/1001615137.db2.gz	HLHDJXXKMLGXHZ-UHFFFAOYSA-N	1	0	352.232	1.437	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CO[C@H](CCC(=O)OC(C)(C)C)C2)CC1	ZINC000928660142	1001615296	/nfs/dbraw/zinc/61/52/96/1001615296.db2.gz	JHZLFGCNOKGCEJ-NVXWUHKLSA-N	1	0	364.486	1.727	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1	ZINC000947050941	1001701021	/nfs/dbraw/zinc/70/10/21/1001701021.db2.gz	MGGOKNJDFIMBKG-KURKYZTESA-N	1	0	363.502	1.559	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C	ZINC000929143067	1001770477	/nfs/dbraw/zinc/77/04/77/1001770477.db2.gz	JRCCMCIEDBVSOC-QGZVFWFLSA-N	1	0	370.478	1.997	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1	ZINC000929497317	1002121745	/nfs/dbraw/zinc/12/17/45/1002121745.db2.gz	BVOWZFNEOCDXQD-UHFFFAOYSA-N	1	0	360.483	1.569	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3cc[nH]c3C)C[C@H]2C)CC1	ZINC000948263969	1002212237	/nfs/dbraw/zinc/21/22/37/1002212237.db2.gz	PVYICVNOUYBVPB-RDTXWAMCSA-N	1	0	356.470	1.245	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2cccc(OCC(=O)N(C)C)c2)CC1	ZINC000929773648	1002423515	/nfs/dbraw/zinc/42/35/15/1002423515.db2.gz	GUPWHFZFSJLGKK-UHFFFAOYSA-N	1	0	358.442	1.373	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[C@H]2CCC(C)(C)CO2)CC1	ZINC000930010252	1002733237	/nfs/dbraw/zinc/73/32/37/1002733237.db2.gz	OCPHHXUTWRTFSF-QGZVFWFLSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)C2CCOCC2)CC1	ZINC000930010567	1002734155	/nfs/dbraw/zinc/73/41/55/1002734155.db2.gz	QWKGPHWQIKHGGH-UHFFFAOYSA-N	1	0	365.518	1.712	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1C(=O)N(C)C)C2	ZINC001111284463	1002736265	/nfs/dbraw/zinc/73/62/65/1002736265.db2.gz	YZTKEMORRFPHLZ-LZQZEXGQSA-N	1	0	371.481	1.926	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCCCc1cccc(F)c1)C1CC[NH+](C)CC1	ZINC000930059688	1002774465	/nfs/dbraw/zinc/77/44/65/1002774465.db2.gz	BUTSEGBUMGSRKF-UHFFFAOYSA-N	1	0	359.445	1.431	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC000948994468	1002912548	/nfs/dbraw/zinc/91/25/48/1002912548.db2.gz	FDPMQXRPEFTVGT-CXAGYDPISA-N	1	0	357.458	1.195	20	30		FDEDRO
C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCO[C@H]1c1ccncc1)CCO2	ZINC000949098758	1002988080	/nfs/dbraw/zinc/98/80/80/1002988080.db2.gz	CPCIFICIQDHWMO-MOPGFXCFSA-N	1	0	369.465	1.486	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)Nc1ccccc1N(C)S(C)(=O)=O	ZINC000930348953	1003040804	/nfs/dbraw/zinc/04/08/04/1003040804.db2.gz	BYHMUFANBPHSKX-UHFFFAOYSA-N	1	0	352.460	1.159	20	30		FDEDRO
C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](O)Cn2cccn2)CC1	ZINC001110989529	1003095371	/nfs/dbraw/zinc/09/53/71/1003095371.db2.gz	OQJAVMCHEDGQAN-TVFCKZIOSA-N	1	0	358.486	1.712	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCOC2(CC[NH+](CCO)CC2)C1	ZINC000949207989	1003100268	/nfs/dbraw/zinc/10/02/68/1003100268.db2.gz	ZKYXOFMCGRZOKY-IRXDYDNUSA-N	1	0	352.475	1.043	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1	ZINC000930444189	1003138447	/nfs/dbraw/zinc/13/84/47/1003138447.db2.gz	WMVOUOYKTDTLQZ-QGZVFWFLSA-N	1	0	363.483	1.352	20	30		FDEDRO
C=C(Cl)CN1CCOC2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1	ZINC000949370500	1003267914	/nfs/dbraw/zinc/26/79/14/1003267914.db2.gz	VFLURIWDBYBSMY-HZPDHXFCSA-N	1	0	355.910	1.773	20	30		FDEDRO
CC#CC[N@@H+](C)C[C@@H](O)COc1cn(-c2ccccc2)nc1C(=O)OC	ZINC000930590693	1003297637	/nfs/dbraw/zinc/29/76/37/1003297637.db2.gz	WZFLERDJHBEXSZ-MRXNPFEDSA-N	1	0	357.410	1.354	20	30		FDEDRO
Cc1ccc(NC(=O)NCC#CC[NH+](C)C)cc1S(=O)(=O)NC1CC1	ZINC000930670077	1003380850	/nfs/dbraw/zinc/38/08/50/1003380850.db2.gz	WZDPIBXROHVQLT-UHFFFAOYSA-N	1	0	364.471	1.122	20	30		FDEDRO
C#CC[C@@H]1CCC[N@@H+](C[C@H](O)CC2(O)CCC(C(=O)OCC)CC2)C1	ZINC000930815974	1003538969	/nfs/dbraw/zinc/53/89/69/1003538969.db2.gz	HFBQTBWUHPEFLI-BOHSKOPMSA-N	1	0	351.487	1.957	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H](C1CC1)[C@H]1CCCCO1)C1CC[NH+](C)CC1	ZINC000930950100	1003699329	/nfs/dbraw/zinc/69/93/29/1003699329.db2.gz	MUQDZZBLPOIQTG-QZTJIDSGSA-N	1	0	361.486	1.006	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1	ZINC000931080297	1003856368	/nfs/dbraw/zinc/85/63/68/1003856368.db2.gz	BNCQYUALSOFJPV-DVOMOZLQSA-N	1	0	362.455	1.540	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2	ZINC000931183786	1003943300	/nfs/dbraw/zinc/94/33/00/1003943300.db2.gz	UJZSPOQAZQFZEV-ZDUSSCGKSA-N	1	0	366.462	1.520	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1	ZINC000931593373	1004296337	/nfs/dbraw/zinc/29/63/37/1004296337.db2.gz	ZCIMTBXGVWWPMV-INIZCTEOSA-N	1	0	358.417	1.400	20	30		FDEDRO
C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NCc3cc(C#N)ccc3F)C2)CC1	ZINC000931595041	1004299053	/nfs/dbraw/zinc/29/90/53/1004299053.db2.gz	CTVUEQMPNNRMRX-MRXNPFEDSA-N	1	0	372.444	1.504	20	30		FDEDRO
C#CCC1([NH2+]C[C@H](O)CC2(O)CCC(C(=O)OCC)CC2)CCOCC1	ZINC000931760285	1004476630	/nfs/dbraw/zinc/47/66/30/1004476630.db2.gz	ICSUHCMZDDVCRI-OHTSDLOESA-N	1	0	367.486	1.384	20	30		FDEDRO
N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CC[C@H](C2OCCO2)C1	ZINC000932002005	1004690639	/nfs/dbraw/zinc/69/06/39/1004690639.db2.gz	IBHZLJDXIONZMN-ZFWWWQNUSA-N	1	0	364.405	1.918	20	30		FDEDRO
C[C@]1([C@@H]2CCC[N@H+](C[C@@H](O)CC3(C#N)CCOCC3)C2)COC(=O)N1	ZINC000932024635	1004715320	/nfs/dbraw/zinc/71/53/20/1004715320.db2.gz	SZVDJJJHIVUKAU-HLLBOEOZSA-N	1	0	351.447	1.268	20	30		FDEDRO
Cn1ncc(CCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)n1	ZINC001111028457	1004839249	/nfs/dbraw/zinc/83/92/49/1004839249.db2.gz	ZYTPSPHPWXLIND-QRVBRYPASA-N	1	0	364.453	1.541	20	30		FDEDRO
C#CC[N@@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(C)(C)C	ZINC000932464933	1004972803	/nfs/dbraw/zinc/97/28/03/1004972803.db2.gz	QIDPEPGCNONFMC-UHFFFAOYSA-N	1	0	365.499	1.117	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(C)c(C#N)c2)C[C@H]1C	ZINC000932475925	1004978652	/nfs/dbraw/zinc/97/86/52/1004978652.db2.gz	SLLKMUIIGSTDNQ-QAPCUYQASA-N	1	0	356.470	1.814	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(C)c(C#N)c2)C[C@H]1C	ZINC000932475923	1004978787	/nfs/dbraw/zinc/97/87/87/1004978787.db2.gz	SLLKMUIIGSTDNQ-CRAIPNDOSA-N	1	0	356.470	1.814	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)cc1C#N	ZINC000932477652	1004979797	/nfs/dbraw/zinc/97/97/97/1004979797.db2.gz	ITBZDIRRYPYWJL-GOSISDBHSA-N	1	0	372.469	1.052	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1C#N	ZINC000932479002	1004981349	/nfs/dbraw/zinc/98/13/49/1004981349.db2.gz	VDIAESVTDWRNKI-SFHVURJKSA-N	1	0	368.481	1.673	20	30		FDEDRO
COc1ncc(NC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)cc1C#N	ZINC000932510783	1004994218	/nfs/dbraw/zinc/99/42/18/1004994218.db2.gz	WIRISFNEAKPNNH-UHFFFAOYSA-N	1	0	372.473	1.453	20	30		FDEDRO
C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C	ZINC000932525770	1005000151	/nfs/dbraw/zinc/00/01/51/1005000151.db2.gz	HGYNBDAOLUHCAX-CVEARBPZSA-N	1	0	368.522	1.598	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CC[C@@H](CCNC(=O)OC(C)(C)C)C1	ZINC000932696150	1005105687	/nfs/dbraw/zinc/10/56/87/1005105687.db2.gz	DRKLDYXSTSZTAR-OAHLLOKOSA-N	1	0	352.479	1.985	20	30		FDEDRO
N#CC1(NC(=O)CN2CCSC2=O)CC[NH+](Cc2ccccc2)CC1	ZINC000778114400	1005136762	/nfs/dbraw/zinc/13/67/62/1005136762.db2.gz	RYIRCPZBTAVNRW-UHFFFAOYSA-N	1	0	358.467	1.830	20	30		FDEDRO
N#CC[C@H](NC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C(F)(F)F	ZINC000932893611	1005233550	/nfs/dbraw/zinc/23/35/50/1005233550.db2.gz	NLGRWNVLDIPRNP-CABCVRRESA-N	1	0	370.375	1.897	20	30		FDEDRO
CCO[C@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000932970535	1005293358	/nfs/dbraw/zinc/29/33/58/1005293358.db2.gz	WKWJLPRKYMIVPI-RBUKOAKNSA-N	1	0	374.460	1.645	20	30		FDEDRO
C[C@](CO)(Cc1ccccc1F)[NH2+]CC(=O)NCc1cccc(C#N)c1	ZINC000933434870	1005556553	/nfs/dbraw/zinc/55/65/53/1005556553.db2.gz	MFVLCEPTMSFJNQ-HXUWFJFHSA-N	1	0	355.413	1.897	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(N3CCCOC3=O)CC2)cc1	ZINC000933616955	1005589727	/nfs/dbraw/zinc/58/97/27/1005589727.db2.gz	UBYYIADRTKNCFC-SFHVURJKSA-N	1	0	373.453	1.799	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1	ZINC000933851510	1005647112	/nfs/dbraw/zinc/64/71/12/1005647112.db2.gz	UIZTVMBQYYIIPH-OAHLLOKOSA-N	1	0	356.470	1.926	20	30		FDEDRO
CCOC(=O)N1CCC([C@@H](C)[NH2+]CC(=O)N(CC)C[C@H](C)C#N)CC1	ZINC000778228268	1005709442	/nfs/dbraw/zinc/70/94/42/1005709442.db2.gz	XPZGXMYWRDGEPO-HUUCEWRRSA-N	1	0	352.479	1.841	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nnc3ccccc3c1O)C2	ZINC001111079742	1005795818	/nfs/dbraw/zinc/79/58/18/1005795818.db2.gz	VDLWWIGHLSMDRX-XYPHTWIQSA-N	1	0	368.437	1.873	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COC2CCOCC2)C3)c1	ZINC001111086494	1005832915	/nfs/dbraw/zinc/83/29/15/1005832915.db2.gz	TVLWBJOTCISGDI-RLLQIKCJSA-N	1	0	369.465	1.975	20	30		FDEDRO
C=CC1(CC(=O)NC[C@](C)(O)C[NH+](C)C)CN(C(=O)OC(C)(C)C)C1	ZINC000935050715	1005840083	/nfs/dbraw/zinc/84/00/83/1005840083.db2.gz	FEVWOISRMJGZRR-KRWDZBQOSA-N	1	0	355.479	1.228	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H](C)[NH+](CC)CC)c1	ZINC000935743654	1005989178	/nfs/dbraw/zinc/98/91/78/1005989178.db2.gz	WBXMNAABEVUCNT-OAHLLOKOSA-N	1	0	350.484	1.944	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NC[C@@H](O)C3CCCCC3)=[NH+]C[C@H]2C1	ZINC000089120512	1006010454	/nfs/dbraw/zinc/01/04/54/1006010454.db2.gz	UYXAMUDYCXPINW-JKSUJKDBSA-N	1	0	366.506	1.808	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCOC(C)C	ZINC001111107033	1006076601	/nfs/dbraw/zinc/07/66/01/1006076601.db2.gz	GGIROEFDHQNCMY-MKXGPGLRSA-N	1	0	365.518	1.994	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)COC3)C2	ZINC001111131030	1006346820	/nfs/dbraw/zinc/34/68/20/1006346820.db2.gz	UPSBCXOZEOEEPZ-CJODITQLSA-N	1	0	367.449	1.190	20	30		FDEDRO
C[C@@H](O)C[C@H]1CCC[N@@H+]1CN1CC(=O)N(Cc2ccccc2C#N)C1=O	ZINC000155428512	1006680574	/nfs/dbraw/zinc/68/05/74/1006680574.db2.gz	HFRHNSOTLOXLFT-RHSMWYFYSA-N	1	0	356.426	1.515	20	30		FDEDRO
C=CCSc1ccccc1NC(=O)Cn1cc(CN2CC[NH2+]CC2)nn1	ZINC000640860729	1006715894	/nfs/dbraw/zinc/71/58/94/1006715894.db2.gz	VRBWDMJIGJQZFU-UHFFFAOYSA-N	1	0	372.498	1.600	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000954412540	1006750246	/nfs/dbraw/zinc/75/02/46/1006750246.db2.gz	KQZWGFKUSCELIJ-VQTJNVASSA-N	1	0	367.493	1.610	20	30		FDEDRO
C[NH+]=C(NCc1cccc(CN2CCCC2=O)c1)N1CC[C@@]2(CCOC2)C1	ZINC000158002005	1006951685	/nfs/dbraw/zinc/95/16/85/1006951685.db2.gz	IDLAGIYPHZOKGS-OAQYLSRUSA-N	1	0	370.497	1.997	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1	ZINC000954788798	1007027508	/nfs/dbraw/zinc/02/75/08/1007027508.db2.gz	YRCQIAYHUJNKIZ-JQHSSLGASA-N	1	0	363.502	1.369	20	30		FDEDRO
C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CCC(=O)N(C)CCC#N)C1	ZINC000778979566	1007096060	/nfs/dbraw/zinc/09/60/60/1007096060.db2.gz	WJXNXQQGYATVPZ-HUUCEWRRSA-N	1	0	352.479	1.984	20	30		FDEDRO
C[NH+]=C(N[C@@H]1C[C@@](C)(OC)C1(C)C)N[C@@H]1CCc2nc(COC)nn2C1	ZINC000159097867	1007106362	/nfs/dbraw/zinc/10/63/62/1007106362.db2.gz	PBNGTLXHVDSKHE-SNUQEOBHSA-N	1	0	364.494	1.108	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1	ZINC000778990539	1007109358	/nfs/dbraw/zinc/10/93/58/1007109358.db2.gz	SBRFDOPTCCAFDI-HUUCEWRRSA-N	1	0	352.479	1.984	20	30		FDEDRO
N#Cc1cccc(NC(=O)N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1	ZINC001202782526	1007134801	/nfs/dbraw/zinc/13/48/01/1007134801.db2.gz	GMJMNYCFWCFSQD-IAGOWNOFSA-N	1	0	364.409	1.718	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(C)C(=O)C[NH+]2CCC(C)CC2)C1	ZINC000955108596	1007246864	/nfs/dbraw/zinc/24/68/64/1007246864.db2.gz	BMCNNQDLTPNHFS-MSOLQXFVSA-N	1	0	363.502	1.369	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cccs2)C[C@H]1C	ZINC000947186662	1007357878	/nfs/dbraw/zinc/35/78/78/1007357878.db2.gz	ACAXSAXKYFUIKM-OIISXLGYSA-N	1	0	359.495	1.351	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CC(=O)N(C)C1=O)C2	ZINC001111272236	1007463322	/nfs/dbraw/zinc/46/33/22/1007463322.db2.gz	IMSFEEDQEPBHJZ-OAGGEKHMSA-N	1	0	362.474	1.348	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC000957093815	1007701683	/nfs/dbraw/zinc/70/16/83/1007701683.db2.gz	IBSCYZYTPRILCE-MLGOLLRUSA-N	1	0	366.425	1.238	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21	ZINC000640098401	1007763130	/nfs/dbraw/zinc/76/31/30/1007763130.db2.gz	DNEGPYINCUKPQT-QYZOEREBSA-N	1	0	352.434	1.911	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2	ZINC000956037842	1007803086	/nfs/dbraw/zinc/80/30/86/1007803086.db2.gz	ZEQQAXAEKCSCOR-BBWFWOEESA-N	1	0	361.486	1.171	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CCN(C(=O)C2([NH+](C)C)CCC2)CC1	ZINC000956501267	1008184741	/nfs/dbraw/zinc/18/47/41/1008184741.db2.gz	WHUHLFYESLZQRH-CVEARBPZSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCN1CC[C@@H](N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCC[NH+](C)C)C3)C1=O	ZINC001111298843	1008574957	/nfs/dbraw/zinc/57/49/57/1008574957.db2.gz	UENMTNWDVLSJJK-ZJPYXAASSA-N	1	0	362.518	1.227	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C	ZINC000190853656	1008746032	/nfs/dbraw/zinc/74/60/32/1008746032.db2.gz	CERVYRODTFCFJG-NVXWUHKLSA-N	1	0	357.454	1.826	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1	ZINC000950382585	1009110046	/nfs/dbraw/zinc/11/00/46/1009110046.db2.gz	RWZMLMSIWYYCBS-BRWVUGGUSA-N	1	0	358.486	1.593	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2C[C@H]2c2ccco2)CC1	ZINC000950431465	1009165845	/nfs/dbraw/zinc/16/58/45/1009165845.db2.gz	FEAKVIZTHVSAHV-RCCFBDPRSA-N	1	0	369.465	1.445	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2	ZINC000646954039	1009332646	/nfs/dbraw/zinc/33/26/46/1009332646.db2.gz	PAWNFVQTSQRHRS-RDJZCZTQSA-N	1	0	371.481	1.876	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]([NH3+])[C@@H](CC)C2)cc1	ZINC000647003830	1009383406	/nfs/dbraw/zinc/38/34/06/1009383406.db2.gz	BMOFNITWDLDMJF-BBRMVZONSA-N	1	0	351.472	1.350	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N(CC)CC(=C)C)C[C@H]21	ZINC001114858890	1009584525	/nfs/dbraw/zinc/58/45/25/1009584525.db2.gz	JVSJBKYZSDRCOI-GJGATLCTSA-N	1	0	361.486	1.049	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@]1(C)CCS(=O)(=O)N1)C2	ZINC001111322066	1009603314	/nfs/dbraw/zinc/60/33/14/1009603314.db2.gz	POCQWJGWEXMOMY-PNBKFKSVSA-N	1	0	355.504	1.146	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNS(=O)(=O)CCCC)C2	ZINC001111327579	1009648890	/nfs/dbraw/zinc/64/88/90/1009648890.db2.gz	IMPUBZZJTUHNOO-OAGGEKHMSA-N	1	0	357.520	1.394	20	30		FDEDRO
CC(C)CCNC(=[NH2+])NCCC(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000303897857	1009681624	/nfs/dbraw/zinc/68/16/24/1009681624.db2.gz	VFPIRPFBXZRDHT-UHFFFAOYSA-N	1	0	363.481	1.815	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cccc(-n3cnc(N(C)C)n3)c2)CC1	ZINC000779558813	1010126869	/nfs/dbraw/zinc/12/68/69/1010126869.db2.gz	GVSFAIOJLBFINA-UHFFFAOYSA-N	1	0	352.442	1.617	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H](NC(=O)[C@]34C[C@H]3CCC4)C2)CC1	ZINC000951079121	1010428472	/nfs/dbraw/zinc/42/84/72/1010428472.db2.gz	QTAIVOGNFTYMNS-LVCYWYKZSA-N	1	0	357.498	1.629	20	30		FDEDRO
CC(C)(C)c1ccccc1OCCNC(=[NH2+])NCCCN1CCOCC1	ZINC000304762426	1010489777	/nfs/dbraw/zinc/48/97/77/1010489777.db2.gz	VRWGVYBXAYXXFC-UHFFFAOYSA-N	1	0	362.518	1.990	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1	ZINC000959681947	1010578089	/nfs/dbraw/zinc/57/80/89/1010578089.db2.gz	AJQTXXDCWFGOFS-SZXPJGKVSA-N	1	0	372.469	1.315	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc3c(c1)OCCO3)C2	ZINC001111359220	1010652301	/nfs/dbraw/zinc/65/23/01/1010652301.db2.gz	RDMAJPUZBCSJBD-KURKYZTESA-N	1	0	372.465	1.924	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000952067522	1011203094	/nfs/dbraw/zinc/20/30/94/1011203094.db2.gz	YYVRUWPURDLDSS-NXHRZFHOSA-N	1	0	368.437	1.646	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccccc1C[NH+](C)C	ZINC000952177775	1011390520	/nfs/dbraw/zinc/39/05/20/1011390520.db2.gz	MIQVGMTXFZQYLQ-UHOSZYNNSA-N	1	0	371.481	1.670	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@H](C3CCN(C(=O)C#CC4CC4)CC3)C2)CC[N@@H+]1C	ZINC000952288883	1011566475	/nfs/dbraw/zinc/56/64/75/1011566475.db2.gz	ZYWYVFGTADNUNZ-NSISKUIASA-N	1	0	371.525	1.827	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@H]2OCCN(C(=O)C[N@H+]3CCC[C@H]3C)[C@H]2C1	ZINC000960953139	1011756457	/nfs/dbraw/zinc/75/64/57/1011756457.db2.gz	FMDBLDFPWRABKK-IXDOHACOSA-N	1	0	363.502	1.511	20	30		FDEDRO
CN1C(=O)CC[C@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1	ZINC001095860400	1011923585	/nfs/dbraw/zinc/92/35/85/1011923585.db2.gz	SMKDMHTZWSKIGB-RDGPPVDQSA-N	1	0	366.465	1.791	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)cc1	ZINC000961240804	1012099319	/nfs/dbraw/zinc/09/93/19/1012099319.db2.gz	QLCBLJBEIDJXNG-IPJCAIGPSA-N	1	0	351.450	1.920	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)nc[nH]c3=O)C2	ZINC001111409178	1012205886	/nfs/dbraw/zinc/20/58/86/1012205886.db2.gz	KAWXEIBCXLKWTC-OLMNPRSZSA-N	1	0	368.437	1.873	20	30		FDEDRO
CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(OC)c(C#N)c3)C[C@H]21	ZINC000961320271	1012237360	/nfs/dbraw/zinc/23/73/60/1012237360.db2.gz	UYVIEZCUXGVHHO-JGLNRKDHSA-N	1	0	369.465	1.928	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(C#N)ccc3OC)C[C@H]21	ZINC000961826661	1012895668	/nfs/dbraw/zinc/89/56/68/1012895668.db2.gz	QKIAWFWOTAMMBX-JGLNRKDHSA-N	1	0	367.449	1.704	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCC([NH2+]Cc2cn(CC)nn2)CC1	ZINC000963926325	1012971234	/nfs/dbraw/zinc/97/12/34/1012971234.db2.gz	HGNPJHUHNSMFDI-SYNTWQANSA-N	1	0	361.490	1.748	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1	ZINC000953982373	1013036759	/nfs/dbraw/zinc/03/67/59/1013036759.db2.gz	KSXOIQHTHUJQID-NXHRZFHOSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000953982426	1013038021	/nfs/dbraw/zinc/03/80/21/1013038021.db2.gz	MJWQIAIFUFJFRO-MSOLQXFVSA-N	1	0	363.502	1.513	20	30		FDEDRO
Cn1cc(C[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1C#N	ZINC000191308459	178051434	/nfs/dbraw/zinc/05/14/34/178051434.db2.gz	AXAGZZGJORDXRI-UHFFFAOYSA-N	1	0	350.366	1.300	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N(C)C[C@@H]3CCC[N@H+](C)C3)CC2)o1	ZINC000193275063	178155117	/nfs/dbraw/zinc/15/51/17/178155117.db2.gz	UVRYYOFNINXJMB-OAHLLOKOSA-N	1	0	359.474	1.871	20	30		FDEDRO
C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000193397372	178161277	/nfs/dbraw/zinc/16/12/77/178161277.db2.gz	PUGITHGVLINIJY-ZANVPECISA-N	1	0	358.261	1.597	20	30		FDEDRO
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1	ZINC000245536658	178364709	/nfs/dbraw/zinc/36/47/09/178364709.db2.gz	XPWKNLMALZLSFC-WOJBJXKFSA-N	1	0	370.497	1.874	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(C#N)cc1F	ZINC000512631191	538977847	/nfs/dbraw/zinc/97/78/47/538977847.db2.gz	PUVOUXUFFOGTRW-GDBMZVCRSA-N	1	0	360.433	1.281	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccc(F)c(NS(C)(=O)=O)c2)CC1	ZINC000518501725	539426524	/nfs/dbraw/zinc/42/65/24/539426524.db2.gz	NWQJTPAXWLQFID-UHFFFAOYSA-N	1	0	355.435	1.577	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087198286	781926037	/nfs/dbraw/zinc/92/60/37/781926037.db2.gz	GHSTWTNFHJTALK-JLSDUUJJSA-N	1	0	369.469	1.299	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3)CC2)c1	ZINC000264290796	179070335	/nfs/dbraw/zinc/07/03/35/179070335.db2.gz	UOELAFCIFXUQJH-UHFFFAOYSA-N	1	0	365.393	1.249	20	30		FDEDRO
CCS(=O)(=O)NCC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000264571670	179137948	/nfs/dbraw/zinc/13/79/48/179137948.db2.gz	VHIFTICKVZHSTJ-UHFFFAOYSA-N	1	0	364.471	1.148	20	30		FDEDRO
C=CCn1c(-c2cnn(C)c2)nnc1N1CCC(C)([NH+]2CCOCC2)CC1	ZINC000528294928	539746778	/nfs/dbraw/zinc/74/67/78/539746778.db2.gz	ZSPZQQUJLRIIDS-UHFFFAOYSA-N	1	0	371.489	1.556	20	30		FDEDRO
C[C@@H]1CN(CC#CCN2C(=O)c3ccccc3C2=O)CC[N@@H+](C2CC2)C1	ZINC000528514035	539765263	/nfs/dbraw/zinc/76/52/63/539765263.db2.gz	IXXCLNRFWPXNMP-MRXNPFEDSA-N	1	0	351.450	1.702	20	30		FDEDRO
CC1(N2CCOCC2)CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000528729798	539780118	/nfs/dbraw/zinc/78/01/18/539780118.db2.gz	JNQDOOIRMBOTOK-LJQANCHMSA-N	1	0	373.497	1.679	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)N1CCc2ccc(C#N)cc21)[NH+]1CCC(C)CC1	ZINC000270158288	180455386	/nfs/dbraw/zinc/45/53/86/180455386.db2.gz	HVOVBZBAJAQCPV-HNNXBMFYSA-N	1	0	354.454	1.684	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCc4ccc(C#N)cc43)CC[C@@H]21	ZINC000270178941	180456843	/nfs/dbraw/zinc/45/68/43/180456843.db2.gz	LODQGDPPJNEWPQ-SJORKVTESA-N	1	0	352.438	1.390	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CC(=O)N(C2CCCCC2)C1	ZINC000530232121	539915657	/nfs/dbraw/zinc/91/56/57/539915657.db2.gz	NJFVDIYQCHNGJV-FUHWJXTLSA-N	1	0	357.454	1.821	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCN(CC(F)(F)F)C1=O	ZINC000530231686	539915903	/nfs/dbraw/zinc/91/59/03/539915903.db2.gz	SOLPCUJMROHGJM-STQMWFEESA-N	1	0	357.332	1.051	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1	ZINC000530514151	539989904	/nfs/dbraw/zinc/98/99/04/539989904.db2.gz	HVHPMQKEPGLHCV-MRXNPFEDSA-N	1	0	373.505	1.164	20	30		FDEDRO
C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000530567314	540001493	/nfs/dbraw/zinc/00/14/93/540001493.db2.gz	RPWGZXSSVGTHSH-LLVKDONJSA-N	1	0	368.359	1.974	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@H+](CC(N)=O)C(C)(C)C)c(OC)c1	ZINC000268463919	674089878	/nfs/dbraw/zinc/08/98/78/674089878.db2.gz	FQAOKEOHKJBEIL-HNNXBMFYSA-N	1	0	350.459	1.749	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1	ZINC000275102931	181238587	/nfs/dbraw/zinc/23/85/87/181238587.db2.gz	LFONDSQHJKRCEV-ZIAGYGMSSA-N	1	0	371.359	1.298	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)n(CCC#N)n1	ZINC000533457333	540250015	/nfs/dbraw/zinc/25/00/15/540250015.db2.gz	FFXFONAUPWAPPC-HNNXBMFYSA-N	1	0	358.446	1.131	20	30		FDEDRO
C[NH+](C)CCn1cc(NS(=O)(=O)c2ccc(C#N)cc2F)ccc1=O	ZINC000533690640	540277650	/nfs/dbraw/zinc/27/76/50/540277650.db2.gz	JTIDTIYMRNTKHQ-UHFFFAOYSA-N	1	0	364.402	1.221	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)OCC	ZINC000535153118	540454556	/nfs/dbraw/zinc/45/45/56/540454556.db2.gz	SOOOQRWILJQVJI-HOTGVXAUSA-N	1	0	360.520	1.325	20	30		FDEDRO
C[NH+]1CCN(c2cccc(C(=O)N(CCC#N)Cc3ccccn3)n2)CC1	ZINC000535761450	540505986	/nfs/dbraw/zinc/50/59/86/540505986.db2.gz	YBKQHPWFRRWDIE-UHFFFAOYSA-N	1	0	364.453	1.784	20	30		FDEDRO
COc1ccc(C(=O)NCCCC(=O)NC2(C#N)CC[NH+](C)CC2)cc1	ZINC000536792680	540650312	/nfs/dbraw/zinc/65/03/12/540650312.db2.gz	TTXGAIBVPBEQGB-UHFFFAOYSA-N	1	0	358.442	1.309	20	30		FDEDRO
CC[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)C1CCOCC1	ZINC000537223218	540703340	/nfs/dbraw/zinc/70/33/40/540703340.db2.gz	FRAAISOBJBBWJJ-QZTJIDSGSA-N	1	0	350.507	1.474	20	30		FDEDRO
CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1(C)C	ZINC000275385178	181305821	/nfs/dbraw/zinc/30/58/21/181305821.db2.gz	AEMFYVCRLKUUOL-BEFAXECRSA-N	1	0	357.458	1.134	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)CC[N@H+](C)C1CCN(C)CC1	ZINC000538132917	540814444	/nfs/dbraw/zinc/81/44/44/540814444.db2.gz	FJMIOMUPCAIZRL-LPHOPBHVSA-N	1	0	351.539	1.387	20	30		FDEDRO
C=CCCOCCCCC(=O)N1CCC[C@@H]1C(=O)N1CCN(C)CC1	ZINC000538419452	540855244	/nfs/dbraw/zinc/85/52/44/540855244.db2.gz	NFGWDBQCHCYBQE-QGZVFWFLSA-N	1	0	351.491	1.514	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)cc2C1=O	ZINC000538713992	540884307	/nfs/dbraw/zinc/88/43/07/540884307.db2.gz	BKRQHOZAHHUVMR-SUMWQHHRSA-N	1	0	353.422	1.635	20	30		FDEDRO
C=CC[C@@H](CO)C[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000539297458	540943764	/nfs/dbraw/zinc/94/37/64/540943764.db2.gz	DHQKOODDCBSIDU-HZPDHXFCSA-N	1	0	368.499	1.543	20	30		FDEDRO
Cc1cc(=NC(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)[nH]n1CCC#N	ZINC000539716885	540985067	/nfs/dbraw/zinc/98/50/67/540985067.db2.gz	ADFGEURQEYSLHW-QGZVFWFLSA-N	1	0	373.505	1.737	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C	ZINC000540971687	541127222	/nfs/dbraw/zinc/12/72/22/541127222.db2.gz	HCCZIBQNJHQFLS-OAHLLOKOSA-N	1	0	363.510	1.804	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)n2)c(Cl)c1	ZINC000541161690	541161308	/nfs/dbraw/zinc/16/13/08/541161308.db2.gz	RXGFYFMWTAWXMT-MRXNPFEDSA-N	1	0	370.844	1.726	20	30		FDEDRO
CC[C@@H]1C[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)CC(=O)N1	ZINC000541675174	541244629	/nfs/dbraw/zinc/24/46/29/541244629.db2.gz	STKLSIFTEZMCGV-QZTJIDSGSA-N	1	0	356.470	1.753	20	30		FDEDRO
CC(=O)Nc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@H](C)C#N)CC2)cc1	ZINC000541763436	541261102	/nfs/dbraw/zinc/26/11/02/541261102.db2.gz	KQTAVPDEPIWWDB-CYBMUJFWSA-N	1	0	364.471	1.547	20	30		FDEDRO
N#CCC1CC[NH+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1	ZINC000541949558	541305887	/nfs/dbraw/zinc/30/58/87/541305887.db2.gz	WKTOPXFNXVDGON-UHFFFAOYSA-N	1	0	350.444	1.288	20	30		FDEDRO
COC[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C(C)C	ZINC000542526737	541420356	/nfs/dbraw/zinc/42/03/56/541420356.db2.gz	SXKCNMOHINOLRP-HOTGVXAUSA-N	1	0	364.515	1.718	20	30		FDEDRO
C=CCc1cc(C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cc(OC)c1O	ZINC000269506001	674109812	/nfs/dbraw/zinc/10/98/12/674109812.db2.gz	RLRYGOBVOHALNP-CQSZACIVSA-N	1	0	368.499	1.891	20	30		FDEDRO
CN(CCC[NH+](C)C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000542757960	541461358	/nfs/dbraw/zinc/46/13/58/541461358.db2.gz	RPLFQWGBEXDZMT-QGZVFWFLSA-N	1	0	357.458	1.647	20	30		FDEDRO
C=CCSCCNC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1	ZINC000542760053	541461858	/nfs/dbraw/zinc/46/18/58/541461858.db2.gz	JPMVJZHQEHZDSE-UHFFFAOYSA-N	1	0	354.564	1.965	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(c2cccc(C#N)n2)CC1)C[NH+]1CCCCC1	ZINC000544855647	541844657	/nfs/dbraw/zinc/84/46/57/541844657.db2.gz	RHJCYJDRKOHLCI-KRWDZBQOSA-N	1	0	370.501	1.907	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)cc1	ZINC000282693820	182043946	/nfs/dbraw/zinc/04/39/46/182043946.db2.gz	KLWKMQYYZKWFJM-SFHVURJKSA-N	1	0	363.483	1.482	20	30		FDEDRO
CS[C@H]1CN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C[C@@H]1[NH+](C)C	ZINC000282724888	182048186	/nfs/dbraw/zinc/04/81/86/182048186.db2.gz	LYYRSMWOIBJELN-IRXDYDNUSA-N	1	0	355.467	1.862	20	30		FDEDRO
N#Cc1ccnc(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)c1	ZINC000283624383	182233447	/nfs/dbraw/zinc/23/34/47/182233447.db2.gz	ZULDKJDKWDVTEB-UHFFFAOYSA-N	1	0	350.422	1.840	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1cccc(C[NH+](C)C)c1	ZINC000283884581	182304200	/nfs/dbraw/zinc/30/42/00/182304200.db2.gz	CHAWDFGDUYMKSF-UHFFFAOYSA-N	1	0	364.449	1.895	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1)c1ccc(C#N)cc1	ZINC000283916194	182314701	/nfs/dbraw/zinc/31/47/01/182314701.db2.gz	ISGRVKVXMDDNOK-OAHLLOKOSA-N	1	0	356.470	1.926	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1	ZINC000284176543	182390199	/nfs/dbraw/zinc/39/01/99/182390199.db2.gz	ZEOLEEUJMILCLC-PKOBYXMFSA-N	1	0	366.465	1.650	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)C2(c3cncc(Br)c3)CC2)CC1	ZINC000545905994	542046186	/nfs/dbraw/zinc/04/61/86/542046186.db2.gz	INZABQYUMASJPW-UHFFFAOYSA-N	1	0	363.259	1.980	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1	ZINC000286529482	183088824	/nfs/dbraw/zinc/08/88/24/183088824.db2.gz	YBXSVKSJQYHKMR-JKSUJKDBSA-N	1	0	360.433	1.361	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000546612521	542182519	/nfs/dbraw/zinc/18/25/19/542182519.db2.gz	FBTOHCAJNPZRLL-CVEARBPZSA-N	1	0	365.441	2.196	20	30		FDEDRO
C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000291566533	183794903	/nfs/dbraw/zinc/79/49/03/183794903.db2.gz	DDIMRNFBZCNINY-NVXWUHKLSA-N	1	0	357.458	1.990	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000292062382	183861130	/nfs/dbraw/zinc/86/11/30/183861130.db2.gz	WSSQISATXITPBG-SJORKVTESA-N	1	0	357.458	1.848	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1	ZINC000297756732	184323684	/nfs/dbraw/zinc/32/36/84/184323684.db2.gz	HWYIFUCTJJYKFB-QZTJIDSGSA-N	1	0	354.454	1.459	20	30		FDEDRO
CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)C(=O)N1CCN(C(C)=O)CC1	ZINC000297828267	184336986	/nfs/dbraw/zinc/33/69/86/184336986.db2.gz	JQHZJLAQEBKTKV-INIZCTEOSA-N	1	0	356.470	1.849	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1	ZINC000297961681	184364542	/nfs/dbraw/zinc/36/45/42/184364542.db2.gz	SQYVWJAKNIUGER-LJQANCHMSA-N	1	0	368.481	1.707	20	30		FDEDRO
CC1=CC[N@H+](CCNC(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1	ZINC000547319417	542312287	/nfs/dbraw/zinc/31/22/87/542312287.db2.gz	VLXWXDMUAQGVDC-UHFFFAOYSA-N	1	0	351.414	1.912	20	30		FDEDRO
Cc1c([C@H]2OCC[C@@H]2[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)cnn1C	ZINC000547682902	542410566	/nfs/dbraw/zinc/41/05/66/542410566.db2.gz	UPJFRPHKPJHTNS-FUHWJXTLSA-N	1	0	359.474	1.833	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C/C=C(\C)C=C)C2	ZINC001112511066	781989162	/nfs/dbraw/zinc/98/91/62/781989162.db2.gz	RTLZYDSPDDVCBU-DKGXSAFMSA-N	1	0	357.498	1.865	20	30		FDEDRO
COC(=O)c1cccc(CN2CCC[C@H](C[NH+]3CCOCC3)C2)c1C#N	ZINC000549150726	542844553	/nfs/dbraw/zinc/84/45/53/542844553.db2.gz	MPEJGVSSCJAQKA-MRXNPFEDSA-N	1	0	357.454	1.889	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C1CC[NH+](C2CC2)CC1	ZINC000549726067	542924127	/nfs/dbraw/zinc/92/41/27/542924127.db2.gz	QADCULOEGIBCLG-UHFFFAOYSA-N	1	0	350.426	2.260	20	30		FDEDRO
C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)Cc3cc(C#N)ccc3F)C2)C1	ZINC000549900434	542962756	/nfs/dbraw/zinc/96/27/56/542962756.db2.gz	COAHBCJVJQFTBJ-QGZVFWFLSA-N	1	0	351.447	1.945	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C2CC2)C(C)(C)CO)CC1	ZINC000550101669	543006128	/nfs/dbraw/zinc/00/61/28/543006128.db2.gz	RRMPPSQPFVRSKE-AEFFLSMTSA-N	1	0	350.507	1.065	20	30		FDEDRO
CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)CC1	ZINC000550584046	543130871	/nfs/dbraw/zinc/13/08/71/543130871.db2.gz	WDXXFBQJDJJIJG-UHFFFAOYSA-N	1	0	356.470	1.755	20	30		FDEDRO
CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCC(C#N)CC1)Cc1ccccc1	ZINC000550622535	543136839	/nfs/dbraw/zinc/13/68/39/543136839.db2.gz	NAJGAASHMUWWKH-IBGZPJMESA-N	1	0	370.497	1.818	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2cc(Cl)ccc2OC)CC1	ZINC000551573981	543304226	/nfs/dbraw/zinc/30/42/26/543304226.db2.gz	AYBNSRJEDVBWDE-UHFFFAOYSA-N	1	0	365.861	1.731	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1	ZINC000551705435	543325891	/nfs/dbraw/zinc/32/58/91/543325891.db2.gz	GCQFTMJIFGZPIX-UHFFFAOYSA-N	1	0	355.486	1.892	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1	ZINC000552202273	543436693	/nfs/dbraw/zinc/43/66/93/543436693.db2.gz	OEXCIOANLKZOSL-DOTOQJQBSA-N	1	0	361.511	1.801	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1	ZINC000173453704	258299822	/nfs/dbraw/zinc/29/98/22/258299822.db2.gz	NGLWREMLFSPKNX-QGZVFWFLSA-N	1	0	364.515	1.417	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)cc1	ZINC000066893787	172000810	/nfs/dbraw/zinc/00/08/10/172000810.db2.gz	WITOKIJMFZHION-GOSISDBHSA-N	1	0	370.453	1.600	20	30		FDEDRO
Cc1oc(NC(=O)CN2CCC[C@@H](C[NH+]3CCOCC3)C2)c(C#N)c1C	ZINC000069859230	172034256	/nfs/dbraw/zinc/03/42/56/172034256.db2.gz	KVIRVGGOWGDJLM-INIZCTEOSA-N	1	0	360.458	1.751	20	30		FDEDRO
CCC(=O)N1CSC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000076132577	172101097	/nfs/dbraw/zinc/10/10/97/172101097.db2.gz	DWEBXQDAIKBKPK-QGZVFWFLSA-N	1	0	374.510	1.760	20	30		FDEDRO
Cn1cc(C(=O)NCC2CC[NH+](CCOc3ccccc3C#N)CC2)cn1	ZINC000104092362	172375634	/nfs/dbraw/zinc/37/56/34/172375634.db2.gz	JWKITXPYJDTWPH-UHFFFAOYSA-N	1	0	367.453	1.813	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)c1	ZINC000104749296	172384221	/nfs/dbraw/zinc/38/42/21/172384221.db2.gz	XXXXUANPWKKIHY-UHFFFAOYSA-N	1	0	358.423	1.473	20	30		FDEDRO
C[C@@H](CO[C@H]1CCOC1)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000130823286	173181222	/nfs/dbraw/zinc/18/12/22/173181222.db2.gz	RGSDTNYCRSDPNK-LPHOPBHVSA-N	1	0	374.485	1.825	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(c3cncc(OCCO)n3)CC2)cc1	ZINC000133039159	173252154	/nfs/dbraw/zinc/25/21/54/173252154.db2.gz	TZNFDSNOOPMKQF-UHFFFAOYSA-N	1	0	353.426	1.432	20	30		FDEDRO
C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC1	ZINC000133928416	173315011	/nfs/dbraw/zinc/31/50/11/173315011.db2.gz	OPQBHHLWNGSKAE-GJZGRUSLSA-N	1	0	358.446	1.856	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c(F)c1	ZINC000136261824	173359461	/nfs/dbraw/zinc/35/94/61/173359461.db2.gz	HHVFEYAWIMHPEU-OAHLLOKOSA-N	1	0	374.416	1.207	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000141455683	173376640	/nfs/dbraw/zinc/37/66/40/173376640.db2.gz	KSXUEXDJBDTICO-QAPCUYQASA-N	1	0	369.469	1.124	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCC[NH+]1CCCCC1	ZINC000177319240	174121367	/nfs/dbraw/zinc/12/13/67/174121367.db2.gz	WOAUPDQKFSCNGZ-MRXNPFEDSA-N	1	0	371.489	1.444	20	30		FDEDRO
N#Cc1cccc(OCCC[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1	ZINC000178295551	174181744	/nfs/dbraw/zinc/18/17/44/174181744.db2.gz	TYZAKWZVWWJRHU-SFHVURJKSA-N	1	0	357.454	1.898	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000178476004	174189640	/nfs/dbraw/zinc/18/96/40/174189640.db2.gz	GZFJQZRJGPMMBL-MRXNPFEDSA-N	1	0	370.453	1.376	20	30		FDEDRO
CC[NH+](CC)[C@H]1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1	ZINC000174118399	258319025	/nfs/dbraw/zinc/31/90/25/258319025.db2.gz	LMITWZOLOIXQCL-KRWDZBQOSA-N	1	0	363.483	1.416	20	30		FDEDRO
N#Cc1ccccc1OCC(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1	ZINC000245747215	258396284	/nfs/dbraw/zinc/39/62/84/258396284.db2.gz	AKIPUZDIBPITEW-RBUKOAKNSA-N	1	0	365.433	1.689	20	30		FDEDRO
N#Cc1ccncc1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO	ZINC000553223322	543590260	/nfs/dbraw/zinc/59/02/60/543590260.db2.gz	ZVPQJSAYCNYPIK-GOSISDBHSA-N	1	0	350.422	1.840	20	30		FDEDRO
COc1cc(C[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)ccc1C#N	ZINC000281591062	258668329	/nfs/dbraw/zinc/66/83/29/258668329.db2.gz	FAKLYNHRTJQIBA-MRXNPFEDSA-N	1	0	367.471	1.145	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@H](SCC)C2)CC1	ZINC000553329810	543610923	/nfs/dbraw/zinc/61/09/23/543610923.db2.gz	QOQKMJNBXJJOHF-CVEARBPZSA-N	1	0	353.532	1.934	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@H](OCC)C2(CC)CC)CC1	ZINC000553669752	543677992	/nfs/dbraw/zinc/67/79/92/543677992.db2.gz	IYRRMXVDEMXFOK-SJORKVTESA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccc(OCC)cc2)CC1	ZINC000553672572	543678365	/nfs/dbraw/zinc/67/83/65/543678365.db2.gz	YVMXRTRCUGKSAC-UHFFFAOYSA-N	1	0	359.470	1.810	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCOC2CCCCCC2)CC1	ZINC000553672586	543678471	/nfs/dbraw/zinc/67/84/71/543678471.db2.gz	ZNUZUMAGVYHTKI-UHFFFAOYSA-N	1	0	351.491	1.609	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)C[NH+](C)C)cc1	ZINC000554138813	543750846	/nfs/dbraw/zinc/75/08/46/543750846.db2.gz	XMDLEWDCPXLTRI-ZDUSSCGKSA-N	1	0	354.476	1.565	20	30		FDEDRO
C[C@H]1OCC[C@@]1(O)C[N@H+](CC(=O)NC1(C#N)CCC1)Cc1ccccc1	ZINC000554251991	543769345	/nfs/dbraw/zinc/76/93/45/543769345.db2.gz	XOWHZJYJLCHROL-OXQOHEQNSA-N	1	0	357.454	1.591	20	30		FDEDRO
CC[NH+]1CCC(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1	ZINC000554582638	543829175	/nfs/dbraw/zinc/82/91/75/543829175.db2.gz	IBFCBUUVJOWWJN-UHFFFAOYSA-N	1	0	356.474	1.517	20	30		FDEDRO
Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](C2CCOCC2)CC1	ZINC000554617640	543838219	/nfs/dbraw/zinc/83/82/19/543838219.db2.gz	MHABRKUQIWPONP-UHFFFAOYSA-N	1	0	352.442	1.655	20	30		FDEDRO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCC[C@H](O)CC2)CC1	ZINC000555774042	544026268	/nfs/dbraw/zinc/02/62/68/544026268.db2.gz	MSOWCCYDTHRJSS-HOTGVXAUSA-N	1	0	362.499	1.304	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)Nc2sccc2C#N)C1	ZINC000555968731	544066566	/nfs/dbraw/zinc/06/65/66/544066566.db2.gz	CRIIMMJPUXYXRR-CQSZACIVSA-N	1	0	364.471	1.518	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCCO[C@@H](CC)C1)C(C)C	ZINC000556207945	544118008	/nfs/dbraw/zinc/11/80/08/544118008.db2.gz	PBHJFRBGEYBUEZ-ROUUACIJSA-N	1	0	365.518	1.829	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCO[C@H](C)[C@H]1C)C(C)C	ZINC000556208691	544118275	/nfs/dbraw/zinc/11/82/75/544118275.db2.gz	VSCRLVCARDRUCM-BRWVUGGUSA-N	1	0	351.491	1.437	20	30		FDEDRO
C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)C[C@@H](C)C1	ZINC000556488605	544148261	/nfs/dbraw/zinc/14/82/61/544148261.db2.gz	FBSDQSSTHOBRGO-GDZNZVCISA-N	1	0	358.417	1.825	20	30		FDEDRO
N#CCC[C@@H](C#N)C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1	ZINC000556793572	544202531	/nfs/dbraw/zinc/20/25/31/544202531.db2.gz	DCCRBVJPORNWFC-KBPBESRZSA-N	1	0	352.485	1.792	20	30		FDEDRO
C[C@H]1CN(C(=O)Cc2c(F)cccc2C#N)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000556956164	544224817	/nfs/dbraw/zinc/22/48/17/544224817.db2.gz	TYFAARYMAMRCOE-KXBFYZLASA-N	1	0	358.461	1.724	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCCSCC1)C(C)C	ZINC000559863409	544825920	/nfs/dbraw/zinc/82/59/20/544825920.db2.gz	BSQGTXNRAKADBB-MRXNPFEDSA-N	1	0	353.532	1.767	20	30		FDEDRO
C[NH+](C)CC(=O)N1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1	ZINC000301329140	259025955	/nfs/dbraw/zinc/02/59/55/259025955.db2.gz	CVGUEZHXGSGMFF-UHFFFAOYSA-N	1	0	368.397	1.225	20	30		FDEDRO
CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1nccc(C#N)c1[N+](=O)[O-]	ZINC000302452216	259042430	/nfs/dbraw/zinc/04/24/30/259042430.db2.gz	POKRQRHHEYLLJU-IBGZPJMESA-N	1	0	367.409	1.935	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21	ZINC000329042657	259073769	/nfs/dbraw/zinc/07/37/69/259073769.db2.gz	TYMJNOOKBNQERY-DLBZAZTESA-N	1	0	358.442	1.140	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@@H](C(=O)N4CCCC4)C3)C2=O)cc1	ZINC000329403513	259094095	/nfs/dbraw/zinc/09/40/95/259094095.db2.gz	ZSZFTIYTVIQQBK-AEFFLSMTSA-N	1	0	352.438	1.608	20	30		FDEDRO
CO[C@H]1C[C@@H](CN(C)S(=O)(=O)Cc2cc(C#N)ccc2F)[N@H+](C)C1	ZINC000330505752	259147800	/nfs/dbraw/zinc/14/78/00/259147800.db2.gz	BKRYPGFRWHHTDR-GJZGRUSLSA-N	1	0	355.435	1.178	20	30		FDEDRO
CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)c2cc(C#N)ccc2Cl)CC1	ZINC000331036520	259173685	/nfs/dbraw/zinc/17/36/85/259173685.db2.gz	ACTBEGBHVLUHGQ-AWEZNQCLSA-N	1	0	371.890	1.583	20	30		FDEDRO
CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1sccc1C#N	ZINC000331186917	259180461	/nfs/dbraw/zinc/18/04/61/259180461.db2.gz	NUIZRFKHKGRVPI-NWDGAFQWSA-N	1	0	356.473	1.008	20	30		FDEDRO
C[C@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)N1CC[NH+](C)CC1	ZINC000331285366	259185406	/nfs/dbraw/zinc/18/54/06/259185406.db2.gz	SZQAYAXQHIXBBZ-GFCCVEGCSA-N	1	0	356.879	1.126	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000332236306	259251731	/nfs/dbraw/zinc/25/17/31/259251731.db2.gz	GTFICIMKTXHRSE-TZMCWYRMSA-N	1	0	350.400	1.372	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C1(C[NH+](C)C)CCCCC1	ZINC000332375581	259261161	/nfs/dbraw/zinc/26/11/61/259261161.db2.gz	NBVBBSAQQUDQCI-MRXNPFEDSA-N	1	0	370.501	1.897	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N[C@H]1CCCC[NH2+]C1	ZINC000333889785	259390731	/nfs/dbraw/zinc/39/07/31/259390731.db2.gz	WUOIBXDIVJFZDW-JTQLQIEISA-N	1	0	358.261	1.741	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](N3CCNCC3=O)C2)c(Br)c1	ZINC000333925944	259394280	/nfs/dbraw/zinc/39/42/80/259394280.db2.gz	VAEVTYDBFUYEDJ-CYBMUJFWSA-N	1	0	363.259	1.721	20	30		FDEDRO
CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)S(=O)(=O)c1ccc(C#N)nc1	ZINC000364557424	259760582	/nfs/dbraw/zinc/76/05/82/259760582.db2.gz	AXMZWFKJBFKBLZ-YJBOKZPZSA-N	1	0	371.466	1.662	20	30		FDEDRO
N#Cc1ccc(CN2CCN(CC(=O)N3CCOC[C@@H]3C3CC3)CC2)cc1	ZINC000367242032	260014601	/nfs/dbraw/zinc/01/46/01/260014601.db2.gz	VNZGADUNERXGRP-HXUWFJFHSA-N	1	0	368.481	1.313	20	30		FDEDRO
C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000367438060	260041866	/nfs/dbraw/zinc/04/18/66/260041866.db2.gz	ZYENDVNGKKSJOA-CXAGYDPISA-N	1	0	358.446	1.511	20	30		FDEDRO
C[C@H]1C[C@H](N2CCOCC2)CN1N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000367574274	260063414	/nfs/dbraw/zinc/06/34/14/260063414.db2.gz	HBESRBDGGPROAY-RXVVDRJESA-N	1	0	371.529	1.632	20	30		FDEDRO
Cc1cccc(C[NH+]2CCC(NC(=O)NCCn3cnc(C#N)n3)CC2)c1	ZINC000367806664	260093974	/nfs/dbraw/zinc/09/39/74/260093974.db2.gz	QKDDYMPVIALFRW-UHFFFAOYSA-N	1	0	367.457	1.422	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]32)c1	ZINC000367835674	260098524	/nfs/dbraw/zinc/09/85/24/260098524.db2.gz	ZZCIRJRSDMLDLB-GXFFZTMASA-N	1	0	356.245	1.303	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CN(C(=O)NCCn3cnc(C#N)n3)C[C@H]2[C@H]1c1ccccc1	ZINC000367855138	260100947	/nfs/dbraw/zinc/10/09/47/260100947.db2.gz	FPDAIGAOYBXBMT-JFIYKMOQSA-N	1	0	365.441	1.094	20	30		FDEDRO
N#Cc1cc(CN2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)ccc1F	ZINC000368419073	260180184	/nfs/dbraw/zinc/18/01/84/260180184.db2.gz	ZUCMJVXTIWIJPL-MRXNPFEDSA-N	1	0	351.447	1.438	20	30		FDEDRO
CN(C(=O)NCc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000368435407	260182976	/nfs/dbraw/zinc/18/29/76/260182976.db2.gz	LPUSDWBHMIHGLX-LJQANCHMSA-N	1	0	355.486	1.868	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1C1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1	ZINC000368569836	260203623	/nfs/dbraw/zinc/20/36/23/260203623.db2.gz	YAEYSFIUHWEIJG-OAHLLOKOSA-N	1	0	362.499	1.676	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[N@H+]2CCCN(c3ncccc3C(N)=O)CC2)cc1	ZINC000370565933	260568966	/nfs/dbraw/zinc/56/89/66/260568966.db2.gz	PJXCTJVBMJYCJU-SFHVURJKSA-N	1	0	365.437	1.298	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)o1	ZINC000373476267	261013813	/nfs/dbraw/zinc/01/38/13/261013813.db2.gz	VJUGOIYJPMNJGV-HOTGVXAUSA-N	1	0	373.457	1.051	20	30		FDEDRO
Cn1c2ccc(C[NH+]3CCC(n4cnc(C#N)n4)CC3)cc2sc1=O	ZINC000373491099	261014903	/nfs/dbraw/zinc/01/49/03/261014903.db2.gz	TYYPKMOUGSWCFG-UHFFFAOYSA-N	1	0	354.439	1.900	20	30		FDEDRO
N#Cc1ccc(OCCCN2CCN(CC[N@@H+]3CCCOCC3)CC2)cc1	ZINC000373568192	261020920	/nfs/dbraw/zinc/02/09/20/261020920.db2.gz	LVLIZPNPWKOSNM-UHFFFAOYSA-N	1	0	372.513	1.667	20	30		FDEDRO
CC1(C)C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@]2(CCCOC2)O1	ZINC000373788793	261040922	/nfs/dbraw/zinc/04/09/22/261040922.db2.gz	BRZSAELIYJZFKY-XLIONFOSSA-N	1	0	360.454	1.958	20	30		FDEDRO
N#Cc1cccc(Cl)c1N1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1	ZINC000373794276	261041079	/nfs/dbraw/zinc/04/10/79/261041079.db2.gz	CELMXMFGDMIMHM-CQSZACIVSA-N	1	0	353.875	1.957	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCCC[C@H]1C(=[NH2+])NO	ZINC000374177568	261089660	/nfs/dbraw/zinc/08/96/60/261089660.db2.gz	UBVISGWBMWFZGT-HNNXBMFYSA-N	1	0	367.413	1.493	20	30		FDEDRO
CNS(=O)(=O)[C@@H]1CCN(Cc2cccn2Cc2ccccc2C#N)C1	ZINC000375355917	261321629	/nfs/dbraw/zinc/32/16/29/261321629.db2.gz	LFJXHCPDEYFCEE-GOSISDBHSA-N	1	0	358.467	1.532	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCOc2ccc(C#N)cc2)C[C@H]1C(=O)N1CCOCC1	ZINC000375489907	261352204	/nfs/dbraw/zinc/35/22/04/261352204.db2.gz	DSHRKHDLXUAGTD-VQIMIIECSA-N	1	0	357.454	1.754	20	30		FDEDRO
CCOC1CC(C[NH2+]Cc2cnc3ccc(C#N)cn23)(N2CCOCC2)C1	ZINC000375522053	261361679	/nfs/dbraw/zinc/36/16/79/261361679.db2.gz	SDXWLDZLXIXJMB-UHFFFAOYSA-N	1	0	369.469	1.565	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1(S(C)(=O)=O)CC1	ZINC000375602320	261380287	/nfs/dbraw/zinc/38/02/87/261380287.db2.gz	GOERXMBDCIWOBD-XJKSGUPXSA-N	1	0	361.467	1.609	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1	ZINC000892186732	782044547	/nfs/dbraw/zinc/04/45/47/782044547.db2.gz	BSLBXKZXCYNUAV-YXJHDRRASA-N	1	0	371.460	1.917	20	30		FDEDRO
CC[C@H]1C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@H]1O	ZINC000270968192	674293098	/nfs/dbraw/zinc/29/30/98/674293098.db2.gz	VVRDODBSUSQGFI-GOEBONIOSA-N	1	0	354.372	1.876	20	30		FDEDRO
C=CCOc1ccc(C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)cc1OC	ZINC000271185277	674319463	/nfs/dbraw/zinc/31/94/63/674319463.db2.gz	NLXNHFGYOBVDNF-HNNXBMFYSA-N	1	0	354.472	1.761	20	30		FDEDRO
C=CCc1cc(C[NH+]2CCC(S(=O)(=O)NC)CC2)cc(OC)c1O	ZINC000271199803	674321538	/nfs/dbraw/zinc/32/15/38/674321538.db2.gz	SVKVWJSTWPSWSB-UHFFFAOYSA-N	1	0	354.472	1.643	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCCOCC[NH+](C)C	ZINC000473773641	489741362	/nfs/dbraw/zinc/74/13/62/489741362.db2.gz	CGPZSGTZZQANHD-UHFFFAOYSA-N	1	0	357.418	1.147	20	30		FDEDRO
CC[C@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)c1ccco1	ZINC000506975083	490159654	/nfs/dbraw/zinc/15/96/54/490159654.db2.gz	SORIQIABCXPPGD-UONOGXRCSA-N	1	0	372.429	1.574	20	30		FDEDRO
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)n1	ZINC000538074132	490708550	/nfs/dbraw/zinc/70/85/50/490708550.db2.gz	URLDPFJZMTZWIY-GFCCVEGCSA-N	1	0	358.446	1.049	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)COc3ccc(C#N)cc3)cn2)CC1	ZINC000023318251	518945812	/nfs/dbraw/zinc/94/58/12/518945812.db2.gz	AKMXAKOKCNWKHV-UHFFFAOYSA-N	1	0	365.437	1.400	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](C)[NH+]2CCCC2)c1	ZINC000042507942	519693051	/nfs/dbraw/zinc/69/30/51/519693051.db2.gz	QWWCQGYWFMQETF-CQSZACIVSA-N	1	0	351.472	1.365	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(C(=O)NCCCOC)CC1	ZINC000056307833	521836059	/nfs/dbraw/zinc/83/60/59/521836059.db2.gz	MWTGSOWEBMPMLK-INIZCTEOSA-N	1	0	353.507	1.664	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000056786723	521910265	/nfs/dbraw/zinc/91/02/65/521910265.db2.gz	QWYPTGZCRIDNBK-DLBZAZTESA-N	1	0	370.501	1.905	20	30		FDEDRO
N#CCOc1ccc(CC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1	ZINC000069710324	521939951	/nfs/dbraw/zinc/93/99/51/521939951.db2.gz	DCBCCGVSMYXRFY-SFHVURJKSA-N	1	0	357.454	1.702	20	30		FDEDRO
N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@H]2C(=O)N2CCSCC2)c1	ZINC000072609471	522332224	/nfs/dbraw/zinc/33/22/24/522332224.db2.gz	ASLXFMHNFVTMBQ-KRWDZBQOSA-N	1	0	372.494	1.927	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(N(C)C(C)=O)c2)CC1	ZINC000072618843	522336633	/nfs/dbraw/zinc/33/66/33/522336633.db2.gz	ZSJQTVKCXNKFMD-UHFFFAOYSA-N	1	0	372.469	1.765	20	30		FDEDRO
CC[NH+](CC)CCOC1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1	ZINC000072694588	522360058	/nfs/dbraw/zinc/36/00/58/522360058.db2.gz	FATLRNSFGXURGL-LJQANCHMSA-N	1	0	358.486	1.907	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC)nc2Cl)CC1	ZINC000271595599	674358577	/nfs/dbraw/zinc/35/85/77/674358577.db2.gz	FBOADLJSEFAWQY-UHFFFAOYSA-N	1	0	366.849	1.839	20	30		FDEDRO
C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1nncn1C	ZINC000046962964	522401976	/nfs/dbraw/zinc/40/19/76/522401976.db2.gz	RUHDZJSECXPXGS-AWEZNQCLSA-N	1	0	355.446	1.521	20	30		FDEDRO
C[C@H]1CCCN(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000060756474	522415519	/nfs/dbraw/zinc/41/55/19/522415519.db2.gz	WJMPZKXTUDDUPK-INIZCTEOSA-N	1	0	364.515	1.899	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1	ZINC000072895848	522419799	/nfs/dbraw/zinc/41/97/99/522419799.db2.gz	OVFOIAZJJBLSMX-IRXDYDNUSA-N	1	0	358.486	1.983	20	30		FDEDRO
NC(=O)c1cccc(CO[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)c1	ZINC000072921405	522427733	/nfs/dbraw/zinc/42/77/33/522427733.db2.gz	LNEBSFXHTJSDSJ-UHFFFAOYSA-N	1	0	368.437	1.584	20	30		FDEDRO
N#CCCNS(=O)(=O)c1ccc(C(=O)NCC[NH+]2CCCCC2)cc1	ZINC000047140217	522454343	/nfs/dbraw/zinc/45/43/43/522454343.db2.gz	CZWXMNNUVJDPIB-UHFFFAOYSA-N	1	0	364.471	1.094	20	30		FDEDRO
CC(C)OCCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1	ZINC000047769411	522598496	/nfs/dbraw/zinc/59/84/96/522598496.db2.gz	KQQDEFPZPOIILZ-INIZCTEOSA-N	1	0	366.506	1.390	20	30		FDEDRO
C[C@H]1Oc2ccccc2N(CCC(=O)N(CCC#N)CCC[NH+](C)C)C1=O	ZINC000064361491	522707275	/nfs/dbraw/zinc/70/72/75/522707275.db2.gz	HJISDWIFGRCXDP-MRXNPFEDSA-N	1	0	372.469	1.885	20	30		FDEDRO
COCC[N@@H+]1CCCN(C(=O)CCc2c(C)nn(CCC#N)c2C)CC1	ZINC000048428640	522731718	/nfs/dbraw/zinc/73/17/18/522731718.db2.gz	OACQSOPZJSGVGI-UHFFFAOYSA-N	1	0	361.490	1.527	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CCC(C[NH+]2CCCCCC2)CC1	ZINC000048564918	522750465	/nfs/dbraw/zinc/75/04/65/522750465.db2.gz	GSSMGBNBTRISKT-INIZCTEOSA-N	1	0	350.507	1.975	20	30		FDEDRO
COc1cccc([C@H](CNC(=O)C(=O)Nc2cccc(C#N)c2)[NH+](C)C)c1	ZINC000048845380	522787647	/nfs/dbraw/zinc/78/76/47/522787647.db2.gz	GQBOHACLVMRDMZ-SFHVURJKSA-N	1	0	366.421	1.924	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1	ZINC000050174097	522899886	/nfs/dbraw/zinc/89/98/86/522899886.db2.gz	SDMPYXBKBYXLEM-ZIAGYGMSSA-N	1	0	358.442	1.742	20	30		FDEDRO
CC[C@H](CO)[NH+]1CCN(CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1	ZINC000075957413	522998516	/nfs/dbraw/zinc/99/85/16/522998516.db2.gz	YAFGSBYZEQXFBJ-LJQANCHMSA-N	1	0	372.513	1.939	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1	ZINC000076333934	523082967	/nfs/dbraw/zinc/08/29/67/523082967.db2.gz	WTJWYKSXGLTGPX-NSHDSACASA-N	1	0	364.352	1.451	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1	ZINC000076526634	523130777	/nfs/dbraw/zinc/13/07/77/523130777.db2.gz	BQSSCJAVDRZZDC-INIZCTEOSA-N	1	0	355.438	1.224	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)CC1	ZINC000067205856	523356023	/nfs/dbraw/zinc/35/60/23/523356023.db2.gz	LWXLZMWZNLTBJP-SFHVURJKSA-N	1	0	368.481	1.912	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)NCC(C)(C)N2CC[NH+](C)CC2)c1	ZINC000067328472	523393092	/nfs/dbraw/zinc/39/30/92/523393092.db2.gz	NPNACZUJAJXLKJ-UHFFFAOYSA-N	1	0	374.485	1.332	20	30		FDEDRO
C[NH+](C)CCCNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000077679788	523412669	/nfs/dbraw/zinc/41/26/69/523412669.db2.gz	MVFKWRIJXWRHBN-UHFFFAOYSA-N	1	0	350.422	1.488	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)Nc1cccc(OCC#N)c1)[NH+]1CCN(C)CC1	ZINC000077748062	523445251	/nfs/dbraw/zinc/44/52/51/523445251.db2.gz	BODFIIFPYLRMJJ-GOSISDBHSA-N	1	0	359.474	1.982	20	30		FDEDRO
CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000077770410	523457285	/nfs/dbraw/zinc/45/72/85/523457285.db2.gz	KVENFFIWEDFCFG-UHFFFAOYSA-N	1	0	364.449	1.876	20	30		FDEDRO
CC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000077770059	523457433	/nfs/dbraw/zinc/45/74/33/523457433.db2.gz	AQRKUDQDXUWZFP-UHFFFAOYSA-N	1	0	350.422	1.488	20	30		FDEDRO
CC(C)[NH+]1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1	ZINC000067470214	523464668	/nfs/dbraw/zinc/46/46/68/523464668.db2.gz	YWOMQUBULMDDER-UHFFFAOYSA-N	1	0	356.474	1.658	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N3CC[C@H]([NH+]4CCCC4)C3)CC2)nc1	ZINC000067470711	523465331	/nfs/dbraw/zinc/46/53/31/523465331.db2.gz	QHKVTBIGWOCOLR-SFHVURJKSA-N	1	0	368.485	1.802	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N3CC[C@@H]([NH+]4CCCC4)C3)CC2)nc1	ZINC000067470712	523465515	/nfs/dbraw/zinc/46/55/15/523465515.db2.gz	QHKVTBIGWOCOLR-GOSISDBHSA-N	1	0	368.485	1.802	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H]1CC[N@H+](C)C1	ZINC000077817428	523472247	/nfs/dbraw/zinc/47/22/47/523472247.db2.gz	JVDCDOOUJWQMGO-ZIAGYGMSSA-N	1	0	360.483	1.945	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000054510701	523650645	/nfs/dbraw/zinc/65/06/45/523650645.db2.gz	DGCUEFHGRMAPKA-QGZVFWFLSA-N	1	0	356.474	1.517	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]([NH+](C)C)C2)c1	ZINC000068342398	523764844	/nfs/dbraw/zinc/76/48/44/523764844.db2.gz	RUPZYUZPDBCYRY-HNNXBMFYSA-N	1	0	351.472	1.317	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N(C)C2CC[NH+](CC)CC2)c1	ZINC000055237307	523775697	/nfs/dbraw/zinc/77/56/97/523775697.db2.gz	WYRZCFRYWSYLIT-UHFFFAOYSA-N	1	0	365.499	1.707	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CNC(=O)NCc2ccc(Cl)cc2)CC1	ZINC000068432591	523788106	/nfs/dbraw/zinc/78/81/06/523788106.db2.gz	KSHUTFIMCBNJEO-UHFFFAOYSA-N	1	0	363.849	1.243	20	30		FDEDRO
CC[NH+](CC)CCOC1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1	ZINC000080647326	523894845	/nfs/dbraw/zinc/89/48/45/523894845.db2.gz	VCTHWPVYTCJIGZ-IBGZPJMESA-N	1	0	350.507	1.618	20	30		FDEDRO
CN(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)Cc1ccccc1	ZINC000156707984	524133781	/nfs/dbraw/zinc/13/37/81/524133781.db2.gz	UGKKOHADCPKLOC-UHFFFAOYSA-N	1	0	374.422	1.877	20	30		FDEDRO
COCC[N@H+](C)CCOc1cccc(CNC(=O)c2cc(C#N)cn2C)c1	ZINC000081732874	524173870	/nfs/dbraw/zinc/17/38/70/524173870.db2.gz	CCZBKEZAUUATQX-UHFFFAOYSA-N	1	0	370.453	1.784	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1	ZINC000172316657	524199234	/nfs/dbraw/zinc/19/92/34/524199234.db2.gz	RQXWXIYSPGLXMK-UHFFFAOYSA-N	1	0	370.453	1.376	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H](Cc2ccccc2)n2nnnc2C)CC1	ZINC000172380235	524213774	/nfs/dbraw/zinc/21/37/74/524213774.db2.gz	ZGUBFYGOSOJVLB-SFHVURJKSA-N	1	0	354.458	1.532	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1	ZINC000121557532	524291234	/nfs/dbraw/zinc/29/12/34/524291234.db2.gz	OGVMGNLZBDKCHU-KRWDZBQOSA-N	1	0	372.469	1.436	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)Cc1ccc(OCC#N)cc1)[NH+]1CCN(C)CC1	ZINC000111660729	524320258	/nfs/dbraw/zinc/32/02/58/524320258.db2.gz	NBMNZPZFNQWTPD-LJQANCHMSA-N	1	0	358.486	1.520	20	30		FDEDRO
N#CC1CCN(CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)CC1	ZINC000141952442	524342438	/nfs/dbraw/zinc/34/24/38/524342438.db2.gz	HEQUIWALRRYWOR-UHFFFAOYSA-N	1	0	354.454	1.643	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000142402816	524349953	/nfs/dbraw/zinc/34/99/53/524349953.db2.gz	OTTHPLMZMPAROM-MRXNPFEDSA-N	1	0	363.483	1.461	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](CCO)C(C)C	ZINC000085862612	524371589	/nfs/dbraw/zinc/37/15/89/524371589.db2.gz	HDLPEACTYATAFR-UHFFFAOYSA-N	1	0	350.463	1.654	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(C(=O)Nc3ccn(CCC#N)n3)CC2)c1	ZINC000173363413	524373880	/nfs/dbraw/zinc/37/38/80/524373880.db2.gz	UAIMJLIRASOGNX-UHFFFAOYSA-N	1	0	355.402	1.554	20	30		FDEDRO
N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H](CN2CCOCC2)C1	ZINC000112201005	524423197	/nfs/dbraw/zinc/42/31/97/524423197.db2.gz	ZALKWYPSYHYAMG-OAHLLOKOSA-N	1	0	362.499	1.993	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NC[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1	ZINC000089121041	524477506	/nfs/dbraw/zinc/47/75/06/524477506.db2.gz	GLZYMTMXOANQSZ-KBPBESRZSA-N	1	0	350.463	1.469	20	30		FDEDRO
COc1ccc(C[NH2+]CCNS(=O)(=O)c2cccs2)cc1C#N	ZINC000122224568	524483025	/nfs/dbraw/zinc/48/30/25/524483025.db2.gz	XGZGYJWLIFBXTH-UHFFFAOYSA-N	1	0	351.453	1.696	20	30		FDEDRO
CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2cccc(C)c2C#N)CC1	ZINC000122257222	524492780	/nfs/dbraw/zinc/49/27/80/524492780.db2.gz	NXIBJPUIDKLPCF-HNNXBMFYSA-N	1	0	364.515	1.419	20	30		FDEDRO
CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000150883437	524498511	/nfs/dbraw/zinc/49/85/11/524498511.db2.gz	AWKCEAQAYVSGKS-ZDUSSCGKSA-N	1	0	359.879	1.847	20	30		FDEDRO
C[C@@H]([NH2+][C@@H](C)C(=O)N1CCN(c2ncccn2)CC1)c1ccc(C#N)cc1	ZINC000112525245	524500475	/nfs/dbraw/zinc/50/04/75/524500475.db2.gz	JPRUEDSDYFYRRF-CVEARBPZSA-N	1	0	364.453	1.736	20	30		FDEDRO
C=CCOc1ccc(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1	ZINC000150937392	524507531	/nfs/dbraw/zinc/50/75/31/524507531.db2.gz	CSEKZQCWJVMWMR-UHFFFAOYSA-N	1	0	371.441	1.378	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2COc3ccc(OC)cc3C2)c1C#N	ZINC000089662102	524517581	/nfs/dbraw/zinc/51/75/81/524517581.db2.gz	KZZIYMMGBGSHFX-CYBMUJFWSA-N	1	0	369.425	1.632	20	30		FDEDRO
CN(C)CC[NH+]1CCC(CNC(=O)Cc2cccc(OCC#N)c2)CC1	ZINC000089829434	524534166	/nfs/dbraw/zinc/53/41/66/524534166.db2.gz	BAEDTBGCHQPFKB-UHFFFAOYSA-N	1	0	358.486	1.521	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)[C@@H]1CCCN(c2ccccc2)C1=O	ZINC000089943714	524556499	/nfs/dbraw/zinc/55/64/99/524556499.db2.gz	PWOQOKDKSBZPPH-QGZVFWFLSA-N	1	0	352.442	1.924	20	30		FDEDRO
Cc1ccc(OC[C@@H](O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)c(C)c1	ZINC000089943799	524556540	/nfs/dbraw/zinc/55/65/40/524556540.db2.gz	UOVHLJGFLNWKFK-HNNXBMFYSA-N	1	0	357.458	1.785	20	30		FDEDRO
Cc1ccccc1CNC(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000089943292	524556938	/nfs/dbraw/zinc/55/69/38/524556938.db2.gz	NKYBQIUDHCVXCW-CQSZACIVSA-N	1	0	354.458	1.741	20	30		FDEDRO
C#CCSCC[NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1	ZINC000159064503	524585676	/nfs/dbraw/zinc/58/56/76/524585676.db2.gz	ASMSODDSXZDHCJ-UHFFFAOYSA-N	1	0	356.517	1.136	20	30		FDEDRO
CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000151712387	524662597	/nfs/dbraw/zinc/66/25/97/524662597.db2.gz	SUGRNSOGXNNFIU-CQSZACIVSA-N	1	0	350.394	1.109	20	30		FDEDRO
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)n1	ZINC000091221786	524668502	/nfs/dbraw/zinc/66/85/02/524668502.db2.gz	WCLSAOKTBMGKCK-CQSZACIVSA-N	1	0	372.473	1.581	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)n1	ZINC000091229287	524669371	/nfs/dbraw/zinc/66/93/71/524669371.db2.gz	NREANPAVSAHAQD-CQSZACIVSA-N	1	0	360.462	1.511	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c1	ZINC000113306221	524672232	/nfs/dbraw/zinc/67/22/32/524672232.db2.gz	FQMUDZABZOICFY-GDBMZVCRSA-N	1	0	363.483	1.460	20	30		FDEDRO
CCCS(=O)(=O)N1CCC([NH2+]Cc2cnc3ccc(C#N)cn23)CC1	ZINC000123289184	524721451	/nfs/dbraw/zinc/72/14/51/524721451.db2.gz	INOUXGAAAVHQAY-UHFFFAOYSA-N	1	0	361.471	1.500	20	30		FDEDRO
CC(C)N(CC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000151958525	524740519	/nfs/dbraw/zinc/74/05/19/524740519.db2.gz	QXNCUZKXULVXLI-UHFFFAOYSA-N	1	0	366.487	1.291	20	30		FDEDRO
CC[NH+]=C(NCC1CCN(C(C)=O)CC1)N1CC[C@H](C)[C@H](n2ccnc2)C1	ZINC000160040797	524795092	/nfs/dbraw/zinc/79/50/92/524795092.db2.gz	CRAQNTXUUCNJPA-QFBILLFUSA-N	1	0	374.533	1.990	20	30		FDEDRO
CC[NH+]=C(NCc1nnc2n1CCCC2)N1CC[C@@H](C)[C@H](n2ccnc2)C1	ZINC000160080254	524803972	/nfs/dbraw/zinc/80/39/72/524803972.db2.gz	CZNHHONIQYUEFU-HZPDHXFCSA-N	1	0	370.505	1.860	20	30		FDEDRO
C#CCCOc1ccc(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)cc1	ZINC000091963905	524821744	/nfs/dbraw/zinc/82/17/44/524821744.db2.gz	IUZYPKAZYYFMED-UHFFFAOYSA-N	1	0	350.484	1.945	20	30		FDEDRO
C[NH+]=C(NCc1ccc(C(N)=O)o1)N1CCN([C@@H](C)C(F)(F)F)CC1	ZINC000123976048	524873279	/nfs/dbraw/zinc/87/32/79/524873279.db2.gz	XVFIBFZXPQTNEN-JTQLQIEISA-N	1	0	361.368	1.022	20	30		FDEDRO
CC(C)N1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1=O	ZINC000114835395	524885649	/nfs/dbraw/zinc/88/56/49/524885649.db2.gz	APPMWDKUBWITTL-SFHVURJKSA-N	1	0	371.485	1.641	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCC[C@H](CC(N)=O)C1	ZINC000175261230	524920667	/nfs/dbraw/zinc/92/06/67/524920667.db2.gz	UQOOOGCKURAJCH-JKSUJKDBSA-N	1	0	372.469	1.918	20	30		FDEDRO
CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000115441697	524998850	/nfs/dbraw/zinc/99/88/50/524998850.db2.gz	VBJAOHDVFKXPBE-QGZVFWFLSA-N	1	0	363.483	1.273	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1	ZINC000115586075	525030578	/nfs/dbraw/zinc/03/05/78/525030578.db2.gz	GGFARLFNBHHTAT-OAHLLOKOSA-N	1	0	365.499	1.565	20	30		FDEDRO
C[NH+]1CCN([C@@H]2CCCCN(C(=O)c3ccccc3OCC#N)C2)CC1	ZINC000175997919	525038800	/nfs/dbraw/zinc/03/88/00/525038800.db2.gz	BJFSGTOULGJDJH-QGZVFWFLSA-N	1	0	356.470	1.831	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=[NH+]C)N2CCC(CC(=O)NC)CC2)c1	ZINC000153008616	525075539	/nfs/dbraw/zinc/07/55/39/525075539.db2.gz	OXDBDRLWJKNDGT-UHFFFAOYSA-N	1	0	369.469	1.030	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)[C@H](C)C1	ZINC000115891207	525084889	/nfs/dbraw/zinc/08/48/89/525084889.db2.gz	OMWODBYGJVMWOO-CRAIPNDOSA-N	1	0	372.469	1.750	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CSc2ccc(C#N)cc2)CC1	ZINC000153192666	525137429	/nfs/dbraw/zinc/13/74/29/525137429.db2.gz	HACDEZGLFBTOOA-KRWDZBQOSA-N	1	0	372.494	1.415	20	30		FDEDRO
N#CCCn1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)n1	ZINC000125101706	525141724	/nfs/dbraw/zinc/14/17/24/525141724.db2.gz	AYCMKGZCVQMPCG-HNNXBMFYSA-N	1	0	358.446	1.212	20	30		FDEDRO
COc1cccc(CNC(=O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1	ZINC000153261855	525160622	/nfs/dbraw/zinc/16/06/22/525160622.db2.gz	HEKKLIYIECVYHB-UHFFFAOYSA-N	1	0	356.430	1.053	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(C)CC[C@H]([NH3+])C(C)C)c1	ZINC000161877002	525180896	/nfs/dbraw/zinc/18/08/96/525180896.db2.gz	JTSCSYHQUHSETE-INIZCTEOSA-N	1	0	353.488	1.596	20	30		FDEDRO
C[C@@H](NC(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N)c1ccc(F)cc1	ZINC000125493233	525206779	/nfs/dbraw/zinc/20/67/79/525206779.db2.gz	LPRJEFWOXKKJDD-GFCCVEGCSA-N	1	0	358.421	1.744	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)CC[N@H+](C)C1CCN(C)CC1	ZINC000177375071	525283175	/nfs/dbraw/zinc/28/31/75/525283175.db2.gz	GGCOYRHUEQTGRB-QGZVFWFLSA-N	1	0	363.550	1.675	20	30		FDEDRO
C[C@H](C(=O)Nc1ccccc1C#N)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000162808435	525320703	/nfs/dbraw/zinc/32/07/03/525320703.db2.gz	KDJMVVZWHBDUKK-CRAIPNDOSA-N	1	0	369.469	1.124	20	30		FDEDRO
C[NH+]=C(NCCNS(=O)(=O)c1cccs1)N[C@@H]1CCC[C@H](C)C1	ZINC000162821608	525323694	/nfs/dbraw/zinc/32/36/94/525323694.db2.gz	LBDPDRATJRBJPH-QWHCGFSZSA-N	1	0	358.533	1.770	20	30		FDEDRO
N#Cc1csc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000177691745	525331650	/nfs/dbraw/zinc/33/16/50/525331650.db2.gz	CGDFMXRHBKIZTI-UHFFFAOYSA-N	1	0	366.424	1.596	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000103150610	525333228	/nfs/dbraw/zinc/33/32/28/525333228.db2.gz	AFICULBYBYNNAN-KRWDZBQOSA-N	1	0	350.507	1.040	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1	ZINC000103163765	525336099	/nfs/dbraw/zinc/33/60/99/525336099.db2.gz	PIGUFVNKWJHLGJ-KRWDZBQOSA-N	1	0	350.488	1.231	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNS(=O)(=O)CCCCC#N)cn2)CC1	ZINC000104112562	525392747	/nfs/dbraw/zinc/39/27/47/525392747.db2.gz	XPMMLOITVKSQLO-UHFFFAOYSA-N	1	0	365.503	1.337	20	30		FDEDRO
Cc1ccccc1C1(CNC(=[NH2+])NCCCN2CCOCC2)CCOCC1	ZINC000104179306	525398167	/nfs/dbraw/zinc/39/81/67/525398167.db2.gz	YXMULIDLWSDFSE-UHFFFAOYSA-N	1	0	374.529	1.670	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1ccc(NC(=O)C(C)C)cc1	ZINC000104159633	525398698	/nfs/dbraw/zinc/39/86/98/525398698.db2.gz	IACAEJALKDWLGN-UHFFFAOYSA-N	1	0	361.490	1.278	20	30		FDEDRO
C=C(C)CNC(=[NH2+])NCCc1ccc(S(=O)(=O)N(CC)CC)s1	ZINC000104194005	525399462	/nfs/dbraw/zinc/39/94/62/525399462.db2.gz	CAMAKASLINEYHP-UHFFFAOYSA-N	1	0	358.533	1.802	20	30		FDEDRO
C#CCCN1CCN(CC(=O)N[C@H](c2nccs2)c2ccccc2)CC1	ZINC000127272152	525403850	/nfs/dbraw/zinc/40/38/50/525403850.db2.gz	JSZHMLGFMGFABP-IBGZPJMESA-N	1	0	368.506	1.990	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1	ZINC000127421612	525420178	/nfs/dbraw/zinc/42/01/78/525420178.db2.gz	RSGXMDYKLQEWHU-QZTJIDSGSA-N	1	0	363.483	1.604	20	30		FDEDRO
N#Cc1ncn(CC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)n1	ZINC000178406321	525421391	/nfs/dbraw/zinc/42/13/91/525421391.db2.gz	JAOIEVQJZUFSHT-HNNXBMFYSA-N	1	0	358.833	1.756	20	30		FDEDRO
CCCC[N@H+](C)CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000127469883	525426550	/nfs/dbraw/zinc/42/65/50/525426550.db2.gz	RPNMHYOXLAUSFF-AWEZNQCLSA-N	1	0	366.487	1.073	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1	ZINC000127655750	525445749	/nfs/dbraw/zinc/44/57/49/525445749.db2.gz	UNQVUCCIAROWDA-HOCLYGCPSA-N	1	0	363.483	1.153	20	30		FDEDRO
CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cn1cnc(C#N)n1	ZINC000178650383	525457867	/nfs/dbraw/zinc/45/78/67/525457867.db2.gz	HASQLIATEASRNR-QGZVFWFLSA-N	1	0	352.442	1.520	20	30		FDEDRO
CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000118121883	525466301	/nfs/dbraw/zinc/46/63/01/525466301.db2.gz	HIVVPFXEFSPUFF-UHFFFAOYSA-N	1	0	354.357	1.555	20	30		FDEDRO
C[NH+](C)[C@@H]1CCCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000105237151	525480570	/nfs/dbraw/zinc/48/05/70/525480570.db2.gz	NGKSMWHAZARVKV-QGZVFWFLSA-N	1	0	356.474	1.658	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)c2c(F)cc(C#N)cc2F)CC1	ZINC000154315408	525491611	/nfs/dbraw/zinc/49/16/11/525491611.db2.gz	PEFPWZZMAAXARM-CYBMUJFWSA-N	1	0	350.413	1.840	20	30		FDEDRO
CC[NH+]=C(NCc1c(C)noc1C)NCC1CCN(S(C)(=O)=O)CC1	ZINC000179012049	525519822	/nfs/dbraw/zinc/51/98/22/525519822.db2.gz	MWIDFERCRLMSNM-UHFFFAOYSA-N	1	0	371.507	1.018	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H](Cc2cccc(OC)c2)NC(C)=O)CC1	ZINC000106034888	525554259	/nfs/dbraw/zinc/55/42/59/525554259.db2.gz	KGSHHWOJOXGZQB-FQEVSTJZSA-N	1	0	373.497	1.899	20	30		FDEDRO
C=CCNc1ncc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)s1	ZINC000128638010	525564241	/nfs/dbraw/zinc/56/42/41/525564241.db2.gz	OBSAKKYZXIJXID-UHFFFAOYSA-N	1	0	363.487	1.121	20	30		FDEDRO
CC(=O)NC[C@@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)CCO1	ZINC000179709040	525619401	/nfs/dbraw/zinc/61/94/01/525619401.db2.gz	AKVHMAXOZBHNOB-LJQANCHMSA-N	1	0	367.453	1.801	20	30		FDEDRO
C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c1	ZINC000129298396	525639146	/nfs/dbraw/zinc/63/91/46/525639146.db2.gz	SKXHGVUOTGYZMV-UHFFFAOYSA-N	1	0	371.441	1.977	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)CC1	ZINC000129311683	525641038	/nfs/dbraw/zinc/64/10/38/525641038.db2.gz	PYDLDCAJZFJGEJ-RTWAWAEBSA-N	1	0	367.493	1.443	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCN(c2cccnn2)CC1	ZINC000170649586	525657987	/nfs/dbraw/zinc/65/79/87/525657987.db2.gz	OPMXZLRLKINYCP-KRWDZBQOSA-N	1	0	364.453	1.934	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3)CC1	ZINC000106349346	525699664	/nfs/dbraw/zinc/69/96/64/525699664.db2.gz	GDAGVZJCANMHRG-UHFFFAOYSA-N	1	0	370.453	1.667	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)CC[C@@H]1CCCO1	ZINC000155100148	525744915	/nfs/dbraw/zinc/74/49/15/525744915.db2.gz	SRACJQLDZNKPQZ-SFHVURJKSA-N	1	0	365.499	1.821	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2Cl)CC1	ZINC000130478068	525761665	/nfs/dbraw/zinc/76/16/65/525761665.db2.gz	QXHKJATTXLKVFM-KRWDZBQOSA-N	1	0	359.857	1.685	20	30		FDEDRO
COc1ccc(CNC(=O)CNC(=[NH2+])NCc2ccccc2OC)cc1	ZINC000170911359	525764292	/nfs/dbraw/zinc/76/42/92/525764292.db2.gz	ULJCUVXNKOHQTC-UHFFFAOYSA-N	1	0	356.426	1.425	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)Oc3ccc(C#N)cc3)C2)CC1	ZINC000106801984	525789723	/nfs/dbraw/zinc/78/97/23/525789723.db2.gz	DUVFMLIQFWMXAX-WMZOPIPTSA-N	1	0	356.470	1.564	20	30		FDEDRO
CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)cc1	ZINC000181024621	525791323	/nfs/dbraw/zinc/79/13/23/525791323.db2.gz	BRJKADGUXMJZMS-SUMWQHHRSA-N	1	0	366.487	1.300	20	30		FDEDRO
CC(C)C(=O)Nc1nc(CC(=O)N(CCC#N)CCC[NH+](C)C)cs1	ZINC000130796375	525797844	/nfs/dbraw/zinc/79/78/44/525797844.db2.gz	HQKGDCDLPZRCCF-UHFFFAOYSA-N	1	0	365.503	1.974	20	30		FDEDRO
C[C@@H](C#N)CNc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-]	ZINC000181126529	525810658	/nfs/dbraw/zinc/81/06/58/525810658.db2.gz	GAKPAYPGVRQEGF-LBPRGKRZSA-N	1	0	369.447	1.396	20	30		FDEDRO
COc1ccc(N2CC[NH+](CCCNC(=O)c3c[nH]c(C#N)c3)CC2)cc1	ZINC000181166940	525815371	/nfs/dbraw/zinc/81/53/71/525815371.db2.gz	PALRYFUVLXPVPT-UHFFFAOYSA-N	1	0	367.453	1.837	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC2CCN(C(=O)CCOC)CC2)CC1	ZINC000119730471	525839768	/nfs/dbraw/zinc/83/97/68/525839768.db2.gz	RADOLVIRHQHMIM-UHFFFAOYSA-N	1	0	366.506	1.354	20	30		FDEDRO
N#Cc1cccc(NCC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1	ZINC000119741806	525846136	/nfs/dbraw/zinc/84/61/36/525846136.db2.gz	ZCRQUXLHSSHWSA-HXUWFJFHSA-N	1	0	364.449	1.506	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1	ZINC000171105585	525848104	/nfs/dbraw/zinc/84/81/04/525848104.db2.gz	ZHBVDZWFQAUVGH-QGZVFWFLSA-N	1	0	366.421	1.834	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1	ZINC000181431609	525853546	/nfs/dbraw/zinc/85/35/46/525853546.db2.gz	FCUMLQHFIDOJMH-KBPBESRZSA-N	1	0	358.442	1.864	20	30		FDEDRO
COCCN(C)CCNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000155499965	525884972	/nfs/dbraw/zinc/88/49/72/525884972.db2.gz	RJYXAKOKFGTDTP-UHFFFAOYSA-N	1	0	365.377	1.434	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1	ZINC000181649643	525886497	/nfs/dbraw/zinc/88/64/97/525886497.db2.gz	SMLVZFKMXCDLIL-AWEZNQCLSA-N	1	0	358.442	1.905	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)N2CCN(c3ccccc3C#N)CC2)CC1	ZINC000171194979	525891293	/nfs/dbraw/zinc/89/12/93/525891293.db2.gz	NABPAUJJLAUYFX-UHFFFAOYSA-N	1	0	371.485	1.501	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1	ZINC000181735014	525912204	/nfs/dbraw/zinc/91/22/04/525912204.db2.gz	CRGRWDROFGIEQX-HUUCEWRRSA-N	1	0	358.442	1.764	20	30		FDEDRO
CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)C1	ZINC000181882400	525969288	/nfs/dbraw/zinc/96/92/88/525969288.db2.gz	XIQZKSAXHNAINB-HUUCEWRRSA-N	1	0	358.442	1.859	20	30		FDEDRO
CCN1CCN(C(=O)CC2CCN(C(=O)c3ccc(C#N)cn3)CC2)CC1	ZINC000108757337	526019124	/nfs/dbraw/zinc/01/91/24/526019124.db2.gz	AUYLHYLXXUPXAH-UHFFFAOYSA-N	1	0	369.469	1.360	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1	ZINC000155975379	526022548	/nfs/dbraw/zinc/02/25/48/526022548.db2.gz	MIHATZRZATXRJV-CRAIPNDOSA-N	1	0	352.438	1.972	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2nnc(C(C)(C)C)s2)CC1	ZINC000171621071	526052383	/nfs/dbraw/zinc/05/23/83/526052383.db2.gz	UFXNALWBQQIJOV-UHFFFAOYSA-N	1	0	365.503	1.931	20	30		FDEDRO
N#Cc1cc(F)c(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(F)c1	ZINC000133425468	526057823	/nfs/dbraw/zinc/05/78/23/526057823.db2.gz	CCFHGURHGXAWAD-GFCCVEGCSA-N	1	0	350.369	1.154	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCCNC(=O)c2cccc(OC)c2)CC1	ZINC000171708200	526086413	/nfs/dbraw/zinc/08/64/13/526086413.db2.gz	WAXKGRKDSRWOAK-UHFFFAOYSA-N	1	0	360.458	1.375	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C)c2ccc3c(c2)OCO3)CC1	ZINC000182287041	526122777	/nfs/dbraw/zinc/12/27/77/526122777.db2.gz	IJHBNBAAJGRGJO-NVXWUHKLSA-N	1	0	372.469	1.758	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1	ZINC000156470877	526141867	/nfs/dbraw/zinc/14/18/67/526141867.db2.gz	RPEWTPCDUGUFEN-HNNXBMFYSA-N	1	0	371.489	1.443	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+][C@@H](CC)c1cccc(S(N)(=O)=O)c1	ZINC000183025196	535906631	/nfs/dbraw/zinc/90/66/31/535906631.db2.gz	GLWFYHYSYLROPA-INIZCTEOSA-N	1	0	353.488	1.799	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C3CCCC3)nn2C)CC1	ZINC000183085460	535917030	/nfs/dbraw/zinc/91/70/30/535917030.db2.gz	DLBKHTPDIQCOTO-UHFFFAOYSA-N	1	0	359.474	1.783	20	30		FDEDRO
C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1	ZINC000184068794	536089930	/nfs/dbraw/zinc/08/99/30/536089930.db2.gz	SATAZJZVZWGSBG-CQSZACIVSA-N	1	0	360.458	1.905	20	30		FDEDRO
C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000185333501	536205848	/nfs/dbraw/zinc/20/58/48/536205848.db2.gz	XIIYYDAKFIERQX-CYBMUJFWSA-N	1	0	370.906	1.516	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2ccc(OCC(=O)OC)cc2)CC1	ZINC000186009109	536223409	/nfs/dbraw/zinc/22/34/09/536223409.db2.gz	JAWPRDGPSZNWKX-HNNXBMFYSA-N	1	0	358.438	1.761	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1	ZINC000188236707	536286823	/nfs/dbraw/zinc/28/68/23/536286823.db2.gz	QLFZKJBPBKLFTP-AWEZNQCLSA-N	1	0	358.442	1.859	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)CN(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000188304895	536289384	/nfs/dbraw/zinc/28/93/84/536289384.db2.gz	OMLMGEOMZSMGTC-WIYYLYMNSA-N	1	0	372.513	1.563	20	30		FDEDRO
C[NH+]=C(NC[C@H](O)c1ccc(Cl)cc1)N[C@@H]1CCc2nc(C)nn2C1	ZINC000262796685	536903202	/nfs/dbraw/zinc/90/32/02/536903202.db2.gz	PUMMNXUCVFQMKY-CABCVRRESA-N	1	0	362.865	1.453	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N(C)Cc1cccc(OC)c1	ZINC000262802380	536905585	/nfs/dbraw/zinc/90/55/85/536905585.db2.gz	RFQJABDXQHKQLT-INIZCTEOSA-N	1	0	356.474	1.865	20	30		FDEDRO
Cc1cc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)ccc1S(N)(=O)=O	ZINC000262802397	536905998	/nfs/dbraw/zinc/90/59/98/536905998.db2.gz	RGKWSGGKQXSSCP-OAHLLOKOSA-N	1	0	374.466	1.571	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C[C@@H](O)COCc1cccs1	ZINC000246409209	536946664	/nfs/dbraw/zinc/94/66/64/536946664.db2.gz	LVTXIYNYMRYWFY-HUUCEWRRSA-N	1	0	373.482	1.498	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1	ZINC000246503404	536968564	/nfs/dbraw/zinc/96/85/64/536968564.db2.gz	QCRPAKOLOAEPRH-GGPKGHCWSA-N	1	0	370.497	1.974	20	30		FDEDRO
C=CCOc1ccccc1CNC(=[NH2+])N1CCN(c2ncccn2)CC1	ZINC000267379620	536971547	/nfs/dbraw/zinc/97/15/47/536971547.db2.gz	AOFDPIGFDUMCQD-UHFFFAOYSA-N	1	0	352.442	1.678	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccn(CCC#N)n2)CC1=O	ZINC000246660494	536998757	/nfs/dbraw/zinc/99/87/57/536998757.db2.gz	GSDWAARUBXLGIU-LSDHHAIUSA-N	1	0	358.446	1.068	20	30		FDEDRO
CC[NH+]1CCN(CCNS(=O)(=O)c2ccc(C#N)cc2Cl)CC1	ZINC000189124205	537001406	/nfs/dbraw/zinc/00/14/06/537001406.db2.gz	UUIFVLJUUIPIBM-UHFFFAOYSA-N	1	0	356.879	1.127	20	30		FDEDRO
COC(=O)COc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1	ZINC000267925129	537002952	/nfs/dbraw/zinc/00/29/52/537002952.db2.gz	KIMYECCZFWSHGU-UHFFFAOYSA-N	1	0	362.430	1.938	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CC1(O)CCOCC1	ZINC000189752925	537089570	/nfs/dbraw/zinc/08/95/70/537089570.db2.gz	XNZCRLGHJGUHNY-HNNXBMFYSA-N	1	0	363.433	1.934	20	30		FDEDRO
CC[N@H+](CCNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)C1CC1	ZINC000247304376	537105221	/nfs/dbraw/zinc/10/52/21/537105221.db2.gz	LOEWIKPCKLXIAM-CQSZACIVSA-N	1	0	357.462	1.053	20	30		FDEDRO
C[C@@H]1CN([C@@H]2CCN(c3sccc3C#N)C2=O)CC[N@@H+]1CC(C)(C)O	ZINC000189950518	537119994	/nfs/dbraw/zinc/11/99/94/537119994.db2.gz	AVPARJULCCTDRD-UKRRQHHQSA-N	1	0	362.499	1.502	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1	ZINC000247484931	537124123	/nfs/dbraw/zinc/12/41/23/537124123.db2.gz	GEBZUWOMHRTEQJ-JKSUJKDBSA-N	1	0	372.469	1.788	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+](C)CCN2CCOCC2)c(OC)c1	ZINC000264848991	537148224	/nfs/dbraw/zinc/14/82/24/537148224.db2.gz	KWSJIHIAVKSDGI-GOSISDBHSA-N	1	0	364.486	1.427	20	30		FDEDRO
CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC000264963174	537150493	/nfs/dbraw/zinc/15/04/93/537150493.db2.gz	BFBDSZVUFWCCBH-HYEKCJMVSA-N	1	0	363.462	1.077	20	30		FDEDRO
C#C[C@H](C)NC(=O)C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000190285955	537161434	/nfs/dbraw/zinc/16/14/34/537161434.db2.gz	OAUHIOAABYRBBA-RDJZCZTQSA-N	1	0	365.437	1.407	20	30		FDEDRO
C#CCN(CC#C)C(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1	ZINC000190417511	537172522	/nfs/dbraw/zinc/17/25/22/537172522.db2.gz	LYQASFYFYPIPEJ-KRWDZBQOSA-N	1	0	351.450	1.952	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)Nc1ccnn1C1CC[NH+](CC)CC1	ZINC000190713678	537184009	/nfs/dbraw/zinc/18/40/09/537184009.db2.gz	HHMWAUVXWCSEJE-UHFFFAOYSA-N	1	0	363.462	1.139	20	30		FDEDRO
CCNC(=O)COc1ccc(C[NH2+]Cc2cc(C#N)n(C)c2)cc1OC	ZINC000190776575	537186490	/nfs/dbraw/zinc/18/64/90/537186490.db2.gz	ZWADENYWAGQSPI-UHFFFAOYSA-N	1	0	356.426	1.710	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1	ZINC000192009732	537218217	/nfs/dbraw/zinc/21/82/17/537218217.db2.gz	WFRPTWNKYVIEAH-PQXDSQRDSA-N	1	0	352.460	1.421	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)[C@H]1CO	ZINC000248885773	537218981	/nfs/dbraw/zinc/21/89/81/537218981.db2.gz	DYHQBPDIEATZJU-LZQZEXGQSA-N	1	0	374.460	1.237	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)[C@@H]1CO	ZINC000248885769	537219157	/nfs/dbraw/zinc/21/91/57/537219157.db2.gz	DYHQBPDIEATZJU-ATZDWAIDSA-N	1	0	374.460	1.237	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1	ZINC000192154888	537221454	/nfs/dbraw/zinc/22/14/54/537221454.db2.gz	NYVQZJGFUUIYDE-QAPCUYQASA-N	1	0	362.861	1.964	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)CN2CC[N@H+](CCO)[C@@H](C)C2)c(OC)c1	ZINC000249595590	537239380	/nfs/dbraw/zinc/23/93/80/537239380.db2.gz	WSLDVBUWWVEZHN-FUHWJXTLSA-N	1	0	364.486	1.162	20	30		FDEDRO
CCN(CC)C(=O)CN1CCCN(C(=O)c2ccccc2OCC#N)CC1	ZINC000194124243	537258971	/nfs/dbraw/zinc/25/89/71/537258971.db2.gz	YAYSVWUYCJTITE-UHFFFAOYSA-N	1	0	372.469	1.605	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000282925700	537346534	/nfs/dbraw/zinc/34/65/34/537346534.db2.gz	HQQBESNHKANCDY-OAHLLOKOSA-N	1	0	350.488	1.719	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)NC[C@@H](CC[NH+](C)C)OCC)c(F)c1	ZINC000283189420	537358363	/nfs/dbraw/zinc/35/83/63/537358363.db2.gz	GVJOCUJHLPUORG-CYBMUJFWSA-N	1	0	367.396	1.358	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)CCc2ccc(O)cc2)CC1	ZINC000283302656	537366568	/nfs/dbraw/zinc/36/65/68/537366568.db2.gz	CXNRYYRMMDCUOF-OAHLLOKOSA-N	1	0	359.470	1.596	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccnn1Cc1ccccc1F	ZINC000293195492	537383834	/nfs/dbraw/zinc/38/38/34/537383834.db2.gz	ABKCVHVIWCERET-UHFFFAOYSA-N	1	0	371.416	1.080	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cn(-c2ccccc2)nc1C	ZINC000293200799	537386570	/nfs/dbraw/zinc/38/65/70/537386570.db2.gz	ALUQQISBBVBVFL-UHFFFAOYSA-N	1	0	353.426	1.191	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(C[C@H](C(CC)CC)[NH+]2CCOCC2)C1=O	ZINC000348504248	537390858	/nfs/dbraw/zinc/39/08/58/537390858.db2.gz	YGOOCGVGMBEEMZ-JKSUJKDBSA-N	1	0	353.463	1.246	20	30		FDEDRO
CCC[C@H]1CN(CC(=O)NCc2ccc(C#N)cc2)CC[N@@H+]1CCOC	ZINC000271016190	537394871	/nfs/dbraw/zinc/39/48/71/537394871.db2.gz	IICBIXPGHQDRAO-IBGZPJMESA-N	1	0	358.486	1.607	20	30		FDEDRO
N#CCCn1ccc(=NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCCC2)[nH]1	ZINC000364822726	537399868	/nfs/dbraw/zinc/39/98/68/537399868.db2.gz	SIRYVAXPDDOWEZ-INIZCTEOSA-N	1	0	372.473	1.602	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCN(C)C[C@@H]2c2ccccc2)CC1	ZINC000286333180	537432468	/nfs/dbraw/zinc/43/24/68/537432468.db2.gz	AREODUKOZSNFLX-LJQANCHMSA-N	1	0	370.497	1.268	20	30		FDEDRO
C=CCCCCNC(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1	ZINC000286564477	537436154	/nfs/dbraw/zinc/43/61/54/537436154.db2.gz	FOGXLIXSYYNEAB-UHFFFAOYSA-N	1	0	361.486	1.758	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1	ZINC000287201258	537441447	/nfs/dbraw/zinc/44/14/47/537441447.db2.gz	FUIGUULQVJMLCH-GOEBONIOSA-N	1	0	357.454	1.609	20	30		FDEDRO
COc1ccc(NC(=O)C[C@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1	ZINC000271485294	537447282	/nfs/dbraw/zinc/44/72/82/537447282.db2.gz	NYGBTSYSZVGLQS-UNQMGURYSA-N	1	0	372.425	1.528	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c(F)c1	ZINC000288114108	537452805	/nfs/dbraw/zinc/45/28/05/537452805.db2.gz	JOWSIGGNVFHSEW-MLGOLLRUSA-N	1	0	361.392	1.970	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(C(=O)OC)c(C)cc1C	ZINC000293429305	537454060	/nfs/dbraw/zinc/45/40/60/537454060.db2.gz	QSYQTHBJEMVMST-UHFFFAOYSA-N	1	0	359.426	1.100	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)CCSC1	ZINC000290896212	537456347	/nfs/dbraw/zinc/45/63/47/537456347.db2.gz	VHUKNSWLFGMCGW-INIZCTEOSA-N	1	0	350.419	1.189	20	30		FDEDRO
C#CCOc1ccc(CN2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)cc1	ZINC000365232944	537456956	/nfs/dbraw/zinc/45/69/56/537456956.db2.gz	GDTICLOMACJOOC-GOSISDBHSA-N	1	0	362.495	1.440	20	30		FDEDRO
C[C@@H](c1nc(-c2cccc(OCC[NH+](C)C)c2)no1)n1cnc(C#N)n1	ZINC000350058336	537466567	/nfs/dbraw/zinc/46/65/67/537466567.db2.gz	BONWEBFFNVRNOF-LBPRGKRZSA-N	1	0	353.386	1.749	20	30		FDEDRO
CC(C)[C@H](CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)[NH+]1CCN(C)CC1	ZINC000280841421	537472453	/nfs/dbraw/zinc/47/24/53/537472453.db2.gz	JKUPPONFXYDAIO-UXHICEINSA-N	1	0	367.497	1.629	20	30		FDEDRO
CCN(CCC[NH+](C)C)C(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000365290631	537478429	/nfs/dbraw/zinc/47/84/29/537478429.db2.gz	MREMIRMAYQLQBE-GOSISDBHSA-N	1	0	356.470	1.849	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(C)n(C2CCCCC2)n1	ZINC000293518832	537497815	/nfs/dbraw/zinc/49/78/15/537497815.db2.gz	YSOZOLNTJWACDV-UHFFFAOYSA-N	1	0	359.474	1.707	20	30		FDEDRO
CCc1ccc(C#CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1	ZINC000293518824	537498124	/nfs/dbraw/zinc/49/81/24/537498124.db2.gz	AWEBOWANJCDSNY-IHWFROFDSA-N	1	0	367.493	1.800	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(C)c(OC)cc1Cl	ZINC000293522606	537500851	/nfs/dbraw/zinc/50/08/51/537500851.db2.gz	ZEIXROKIOCHCSZ-UHFFFAOYSA-N	1	0	351.834	1.667	20	30		FDEDRO
C[C@@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)[C@H](c1ccccc1)[NH+](C)C	ZINC000274688034	537529167	/nfs/dbraw/zinc/52/91/67/537529167.db2.gz	KZFAYLSDCYNMLC-NSOYCGIDSA-N	1	0	370.453	1.711	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3cccnc3C#N)C[C@@H]2[C@H]1c1ccccc1	ZINC000365478021	537534070	/nfs/dbraw/zinc/53/40/70/537534070.db2.gz	QBUQPYIIBSNRNH-JTDSTZFVSA-N	1	0	368.462	1.877	20	30		FDEDRO
COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(C#N)c1	ZINC000289602665	537581294	/nfs/dbraw/zinc/58/12/94/537581294.db2.gz	QKRLCSKNJYDXIC-UHFFFAOYSA-N	1	0	351.472	1.680	20	30		FDEDRO
COc1cc(C[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)ccc1C#N	ZINC000281783913	537583569	/nfs/dbraw/zinc/58/35/69/537583569.db2.gz	TZIOAXBFORLQBX-HNNXBMFYSA-N	1	0	354.332	1.840	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000275850757	537584966	/nfs/dbraw/zinc/58/49/66/537584966.db2.gz	HDCLLJCGTFTSPN-QZTJIDSGSA-N	1	0	370.453	1.299	20	30		FDEDRO
N#Cc1cncc(S(=O)(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1	ZINC000289841799	537597948	/nfs/dbraw/zinc/59/79/48/537597948.db2.gz	PFHKJGOWUXZQQW-QGZVFWFLSA-N	1	0	370.478	1.796	20	30		FDEDRO
C[NH+](C)CC(=O)N1CCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1	ZINC000285014802	537601522	/nfs/dbraw/zinc/60/15/22/537601522.db2.gz	DKNRCLRMRMAMDV-UHFFFAOYSA-N	1	0	360.433	1.207	20	30		FDEDRO
CC(C)(CN1CCOCC1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000308648464	537604339	/nfs/dbraw/zinc/60/43/39/537604339.db2.gz	RRGJVCMNVZCDBN-UHFFFAOYSA-N	1	0	351.472	1.032	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)CC1	ZINC000285123514	537620595	/nfs/dbraw/zinc/62/05/95/537620595.db2.gz	NXNHXBCWCOWTRE-MOPGFXCFSA-N	1	0	371.481	1.790	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](C[NH2+]C)C2)c1	ZINC000237320288	537623310	/nfs/dbraw/zinc/62/33/10/537623310.db2.gz	YMVNHIXMQCPBQT-CQSZACIVSA-N	1	0	351.472	1.223	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)CCCNC(=O)c1ccccc1OCC	ZINC000293951197	537630013	/nfs/dbraw/zinc/63/00/13/537630013.db2.gz	JZNAFUVYOIHEJT-UHFFFAOYSA-N	1	0	359.470	1.667	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc1	ZINC000237527329	537632087	/nfs/dbraw/zinc/63/20/87/537632087.db2.gz	ZIBLFTULYNGSLZ-CJNGLKHVSA-N	1	0	351.472	1.350	20	30		FDEDRO
CC(C)CCn1cc(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)nn1	ZINC000329180338	537635720	/nfs/dbraw/zinc/63/57/20/537635720.db2.gz	NTSYJABTVUKURQ-MRXNPFEDSA-N	1	0	362.478	1.324	20	30		FDEDRO
CC(C)CCn1cc(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)nn1	ZINC000329180335	537636085	/nfs/dbraw/zinc/63/60/85/537636085.db2.gz	NTSYJABTVUKURQ-INIZCTEOSA-N	1	0	362.478	1.324	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)cc1	ZINC000291604926	537640309	/nfs/dbraw/zinc/64/03/09/537640309.db2.gz	BZZBLNUDXORKEX-PZJWPPBQSA-N	1	0	352.434	1.934	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@](CO)(c3ccccc3)C2)cc1	ZINC000291604921	537640411	/nfs/dbraw/zinc/64/04/11/537640411.db2.gz	BZZBLNUDXORKEX-FPOVZHCZSA-N	1	0	352.434	1.934	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@](CO)(c3ccccc3)C2)cc1	ZINC000291604918	537640694	/nfs/dbraw/zinc/64/06/94/537640694.db2.gz	BZZBLNUDXORKEX-CTNGQTDRSA-N	1	0	352.434	1.934	20	30		FDEDRO
CN1CCO[C@@H]2CN(C(=O)NC3CCN(C(=O)c4ccccc4)CC3)C[C@H]21	ZINC000329915791	537644902	/nfs/dbraw/zinc/64/49/02/537644902.db2.gz	DFOSFSXOEPYSME-QZTJIDSGSA-N	1	0	372.469	1.220	20	30		FDEDRO
Cn1ccnc1[C@@H](NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)C1CCOCC1	ZINC000330226295	537651719	/nfs/dbraw/zinc/65/17/19/537651719.db2.gz	UKFXIWSEONJFSK-LPHOPBHVSA-N	1	0	361.490	1.829	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCOC3(CCC3)C2)CC1	ZINC000330228638	537652735	/nfs/dbraw/zinc/65/27/35/537652735.db2.gz	PSLVLDOHQLZXNU-HZPDHXFCSA-N	1	0	364.490	1.241	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)c3cc4n(n3)CCCO4)ccn2)CC1	ZINC000330358374	537654643	/nfs/dbraw/zinc/65/46/43/537654643.db2.gz	UTCUCEUGJHZQJD-UHFFFAOYSA-N	1	0	356.430	1.317	20	30		FDEDRO
C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC([NH+]2CCCCC2)CC1	ZINC000330749858	537660285	/nfs/dbraw/zinc/66/02/85/537660285.db2.gz	HQKBBIIBGULFLO-GFCCVEGCSA-N	1	0	364.412	1.918	20	30		FDEDRO
CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1	ZINC000330931868	537661997	/nfs/dbraw/zinc/66/19/97/537661997.db2.gz	VYKXTNCHTYUYKC-CZUORRHYSA-N	1	0	353.488	1.970	20	30		FDEDRO
CC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC2)CC1	ZINC000291720934	537667763	/nfs/dbraw/zinc/66/77/63/537667763.db2.gz	DWCVCMSDJVLOEC-QGZVFWFLSA-N	1	0	366.469	1.995	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1ccc2c(c1)NC(=O)CO2	ZINC000294214469	537675305	/nfs/dbraw/zinc/67/53/05/537675305.db2.gz	LMHVUMPGSOCJCB-CYBMUJFWSA-N	1	0	364.409	1.390	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCCC[C@H]2CCC[NH2+]2)cc1	ZINC000294989876	537709878	/nfs/dbraw/zinc/70/98/78/537709878.db2.gz	YWZZCTKLRJAJCM-OAHLLOKOSA-N	1	0	351.472	1.413	20	30		FDEDRO
CN(C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1)S(C)(=O)=O	ZINC000285552059	537729354	/nfs/dbraw/zinc/72/93/54/537729354.db2.gz	IVUMSLYXIGRISC-RDJZCZTQSA-N	1	0	351.472	1.195	20	30		FDEDRO
C[C@H](c1ccccc1)[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)C(N)=O	ZINC000292373314	537731132	/nfs/dbraw/zinc/73/11/32/537731132.db2.gz	YRWDQBXNGHXHGF-LSBZLQRGSA-N	1	0	353.422	1.545	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)COc2c(C)cccc2C)CC1	ZINC000285677258	537745172	/nfs/dbraw/zinc/74/51/72/537745172.db2.gz	WYFMYQAJDHECOB-QGZVFWFLSA-N	1	0	373.497	1.954	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1	ZINC000416305067	537797754	/nfs/dbraw/zinc/79/77/54/537797754.db2.gz	AGHODGJMOWWYFT-CYBMUJFWSA-N	1	0	360.845	1.775	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccc(SC)cc2)C1=O	ZINC000411671341	537817427	/nfs/dbraw/zinc/81/74/27/537817427.db2.gz	LQVBJEHZTLAQSS-PBHICJAKSA-N	1	0	350.484	1.867	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@H]1CO	ZINC000366701135	537825131	/nfs/dbraw/zinc/82/51/31/537825131.db2.gz	LGLLXHTXWZIQIT-OWSLCNJRSA-N	1	0	351.491	1.598	20	30		FDEDRO
C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)C2)CC1	ZINC000376092530	537833487	/nfs/dbraw/zinc/83/34/87/537833487.db2.gz	FSQHKFCPNNJSQJ-RTBURBONSA-N	1	0	365.481	1.525	20	30		FDEDRO
C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCCSCc1ccccc1C#N	ZINC000418911112	537839102	/nfs/dbraw/zinc/83/91/02/537839102.db2.gz	BRCXZMLOGMGOAO-BBRMVZONSA-N	1	0	360.483	1.022	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1	ZINC000416446634	537843252	/nfs/dbraw/zinc/84/32/52/537843252.db2.gz	QCCLSNHDSOUMSI-PVAVHDDUSA-N	1	0	356.536	1.497	20	30		FDEDRO
COC(=O)[C@@H]1CN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@H+](C)C1	ZINC000411923962	537905798	/nfs/dbraw/zinc/90/57/98/537905798.db2.gz	WVVFYHCMIONAAT-FUHWJXTLSA-N	1	0	370.453	1.090	20	30		FDEDRO
N#Cc1c2c(sc1NC(=O)CC[NH2+][C@@H](CO)[C@H]1CCCOC1)CCC2	ZINC000411994774	537928337	/nfs/dbraw/zinc/92/83/37/537928337.db2.gz	OBCISYLKRGXXRV-WFASDCNBSA-N	1	0	363.483	1.814	20	30		FDEDRO
C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](n2ncc(N3CCOCC3)cc2=O)C1	ZINC000369033778	537996880	/nfs/dbraw/zinc/99/68/80/537996880.db2.gz	XTWXLGSMGQMRKJ-AEFFLSMTSA-N	1	0	362.474	1.044	20	30		FDEDRO
N#CC1(CCC[NH+]2CCN(C3(C(N)=O)CCCCC3)CC2)CCOCC1	ZINC000369049501	537996958	/nfs/dbraw/zinc/99/69/58/537996958.db2.gz	VZRFLXAMZCIEIB-UHFFFAOYSA-N	1	0	362.518	1.893	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1C#N	ZINC000415305758	537998042	/nfs/dbraw/zinc/99/80/42/537998042.db2.gz	JNJUHGREXOTVLG-KRWDZBQOSA-N	1	0	357.458	1.857	20	30		FDEDRO
COCCN(CC[NH+](C)C)C(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1	ZINC000372681072	537999232	/nfs/dbraw/zinc/99/92/32/537999232.db2.gz	OGNBTVZBUCBVQF-SFHVURJKSA-N	1	0	373.501	1.515	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1	ZINC000410899918	538008036	/nfs/dbraw/zinc/00/80/36/538008036.db2.gz	OFXSNOKDESFUTC-ZWKOTPCHSA-N	1	0	364.534	1.426	20	30		FDEDRO
CC(C)[C@H]1CCc2c(C#N)c(NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)sc2C1	ZINC000415340324	538012841	/nfs/dbraw/zinc/01/28/41/538012841.db2.gz	WFVXHMCQDDPFLJ-NWDGAFQWSA-N	1	0	360.483	1.797	20	30		FDEDRO
Cc1cc(NC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)c(C#N)cc1N(C)C	ZINC000417159833	538013257	/nfs/dbraw/zinc/01/32/57/538013257.db2.gz	PDOXMWAMMWXIHF-CABCVRRESA-N	1	0	359.474	1.852	20	30		FDEDRO
Cc1cc(NC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c(C#N)cc1N(C)C	ZINC000417160254	538013557	/nfs/dbraw/zinc/01/35/57/538013557.db2.gz	PDOXMWAMMWXIHF-LSDHHAIUSA-N	1	0	359.474	1.852	20	30		FDEDRO
CN1C(=O)C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)[C@@H]1c1ccc(F)cc1	ZINC000372801846	538031060	/nfs/dbraw/zinc/03/10/60/538031060.db2.gz	AMACQQGLBWNJGE-APWZRJJASA-N	1	0	371.416	1.343	20	30		FDEDRO
C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1	ZINC000415403320	538032154	/nfs/dbraw/zinc/03/21/54/538032154.db2.gz	ZUCUNWSSNYGVBK-KRWDZBQOSA-N	1	0	362.433	1.488	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C	ZINC000415420007	538038626	/nfs/dbraw/zinc/03/86/26/538038626.db2.gz	AIRDBZVTURRSAO-AWEZNQCLSA-N	1	0	362.430	1.012	20	30		FDEDRO
C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1	ZINC000415465010	538064312	/nfs/dbraw/zinc/06/43/12/538064312.db2.gz	SAKUJOMDJJJHHP-SMDDNHRTSA-N	1	0	358.833	2.517	20	30		FDEDRO
C[C@H]1CCCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)[C@H]1C[NH3+]	ZINC000415465304	538064354	/nfs/dbraw/zinc/06/43/54/538064354.db2.gz	SHUQVNSDNZNADL-LRDDRELGSA-N	1	0	356.405	2.474	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1	ZINC000411386979	538066337	/nfs/dbraw/zinc/06/63/37/538066337.db2.gz	KULDKDSPRZUKMA-ZDUSSCGKSA-N	1	0	364.421	1.713	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@@H]4CC[N@@H+](C)[C@@H]4C3)CC2)o1	ZINC000372979774	538072654	/nfs/dbraw/zinc/07/26/54/538072654.db2.gz	MNSZCJAUOGRGQQ-WMLDXEAASA-N	1	0	357.458	1.624	20	30		FDEDRO
CC1(C[NH+]2CCOCC2)CCN(CC(=O)N(CCC#N)CCC#N)CC1	ZINC000371085860	538098227	/nfs/dbraw/zinc/09/82/27/538098227.db2.gz	HLXLQLHXEJNKCR-UHFFFAOYSA-N	1	0	361.490	1.077	20	30		FDEDRO
C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000423653986	538132795	/nfs/dbraw/zinc/13/27/95/538132795.db2.gz	PVDYRSUTIYNXSA-HOCLYGCPSA-N	1	0	370.453	1.124	20	30		FDEDRO
N#Cc1cccc(OC2CCN(C(=O)C(=O)NCC[C@@H]3CC[NH2+]C3)CC2)c1	ZINC000419906827	538141875	/nfs/dbraw/zinc/14/18/75/538141875.db2.gz	AREIRLNZGSOBMW-HNNXBMFYSA-N	1	0	370.453	1.044	20	30		FDEDRO
CC[NH+](CC)CC[C@@H](CO)Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1	ZINC000439118996	538155624	/nfs/dbraw/zinc/15/56/24/538155624.db2.gz	MGCVDNKWEVLLAC-AWEZNQCLSA-N	1	0	357.414	2.519	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@H](C(C)C)C3)CC2)o1	ZINC000444769653	538196778	/nfs/dbraw/zinc/19/67/78/538196778.db2.gz	IZLVAJUVFONXSH-INIZCTEOSA-N	1	0	359.474	1.871	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC2(COC)CCCC2)CC1	ZINC000422298408	538217599	/nfs/dbraw/zinc/21/75/99/538217599.db2.gz	RNVAIBIWSCVFCH-UHFFFAOYSA-N	1	0	351.491	1.466	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000433344488	538227610	/nfs/dbraw/zinc/22/76/10/538227610.db2.gz	RXBUMIHITJXDII-IAGOWNOFSA-N	1	0	352.442	1.863	20	30		FDEDRO
CN(CCCOc1cccc(S(C)(=O)=O)c1)C(=O)[C@H]([NH3+])CCCC#N	ZINC000424110544	538235313	/nfs/dbraw/zinc/23/53/13/538235313.db2.gz	YZHNDVQDASXFBX-MRXNPFEDSA-N	1	0	367.471	1.339	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1CCN(Cc2noc(-c3cccs3)n2)CC1	ZINC000424180835	538250938	/nfs/dbraw/zinc/25/09/38/538250938.db2.gz	PRACDOOCTHTDNJ-ZDUSSCGKSA-N	1	0	374.470	1.463	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000422406321	538253345	/nfs/dbraw/zinc/25/33/45/538253345.db2.gz	YEWMEOONMGRSDX-QGZVFWFLSA-N	1	0	359.470	1.428	20	30		FDEDRO
CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000420425679	538291675	/nfs/dbraw/zinc/29/16/75/538291675.db2.gz	SUOQCAIOCOWAPZ-CYBMUJFWSA-N	1	0	358.261	1.679	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC1CCC(C#N)CC1	ZINC000440986274	538297651	/nfs/dbraw/zinc/29/76/51/538297651.db2.gz	ISUUVDLCDFOTPO-OFLPRAFFSA-N	1	0	363.506	1.558	20	30		FDEDRO
C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C[C@@H]1C[NH3+]	ZINC000420471473	538303642	/nfs/dbraw/zinc/30/36/42/538303642.db2.gz	ASGIIMXIHOHDIH-PWSUYJOCSA-N	1	0	372.288	1.926	20	30		FDEDRO
CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N(C[C@@H](C)C#N)C2CC2)CC1	ZINC000441901521	538342377	/nfs/dbraw/zinc/34/23/77/538342377.db2.gz	VKFHRHRCRWZCNA-AWEZNQCLSA-N	1	0	372.473	1.629	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1	ZINC000447245896	538361226	/nfs/dbraw/zinc/36/12/26/538361226.db2.gz	GRYYRIKSNAYXBN-UAGQMJEPSA-N	1	0	363.483	1.350	20	30		FDEDRO
N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1	ZINC000442714622	538370399	/nfs/dbraw/zinc/37/03/99/538370399.db2.gz	YNRIWKTWOAPOFH-CHWSQXEVSA-N	1	0	355.485	1.551	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3CCC[N@H+]3CCCO)cc2C1=O	ZINC000452350359	538377396	/nfs/dbraw/zinc/37/73/96/538377396.db2.gz	OBCKVYHKDKGSFK-OAHLLOKOSA-N	1	0	371.437	1.045	20	30		FDEDRO
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO	ZINC000452369922	538384401	/nfs/dbraw/zinc/38/44/01/538384401.db2.gz	FGDBCBNETGKHQA-KBXCAEBGSA-N	1	0	353.463	1.211	20	30		FDEDRO
C=CC[C@H]1N(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)CCCC1(C)C	ZINC000423578478	538401489	/nfs/dbraw/zinc/40/14/89/538401489.db2.gz	LEGBZILRMFLFKF-QGZVFWFLSA-N	1	0	365.518	1.936	20	30		FDEDRO
CC[NH+]1CCN(CC(C)(C)NC(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1	ZINC000456905582	538459317	/nfs/dbraw/zinc/45/93/17/538459317.db2.gz	UMRSHTUDDQMPGD-INIZCTEOSA-N	1	0	358.486	1.858	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1	ZINC000460063066	538463122	/nfs/dbraw/zinc/46/31/22/538463122.db2.gz	VZLPWJLEHUHOKQ-QGZVFWFLSA-N	1	0	365.518	1.903	20	30		FDEDRO
Cc1cc(C(=O)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)ncc1C#N	ZINC000457649735	538505534	/nfs/dbraw/zinc/50/55/34/538505534.db2.gz	ORWRCQUFQJDCML-SFHVURJKSA-N	1	0	350.422	1.411	20	30		FDEDRO
C=CC[C@@H](CC)NC(=O)N1CCN([C@@H](C)C(=O)NCCCOC)CC1	ZINC000466406398	538539199	/nfs/dbraw/zinc/53/91/99/538539199.db2.gz	LLZXRIOIWVKCJM-JKSUJKDBSA-N	1	0	354.495	1.210	20	30		FDEDRO
C=CCOC[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)OC	ZINC000481750049	538551601	/nfs/dbraw/zinc/55/16/01/538551601.db2.gz	NGCTXEWYHZCYFJ-MSOLQXFVSA-N	1	0	360.454	1.759	20	30		FDEDRO
N#Cc1ccc(CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1F	ZINC000454431720	538554822	/nfs/dbraw/zinc/55/48/22/538554822.db2.gz	JAVHIBFTIPQMAR-OAHLLOKOSA-N	1	0	361.421	1.084	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3C[C@H](C)[C@H]([NH+](C)C)C3)C2)n1	ZINC000472096752	538581021	/nfs/dbraw/zinc/58/10/21/538581021.db2.gz	TWHACOCMPQUQJL-JCGIZDLHSA-N	1	0	355.486	1.887	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNS(=O)(=O)Cc2cc(C#N)ccc2F)CC1	ZINC000501001882	538595685	/nfs/dbraw/zinc/59/56/85/538595685.db2.gz	SWTYEURQHHDKMN-UHFFFAOYSA-N	1	0	369.462	1.352	20	30		FDEDRO
C[NH+](C)[C@H]1CN(C(=O)c2occc2COc2cccc(C#N)c2)C[C@@H]1O	ZINC000560636253	545562304	/nfs/dbraw/zinc/56/23/04/545562304.db2.gz	TYJFLIPWXKRTNA-IRXDYDNUSA-N	1	0	355.394	1.477	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1F	ZINC000455531418	538670705	/nfs/dbraw/zinc/67/07/05/538670705.db2.gz	DNLWHQIEJFDBTF-UHFFFAOYSA-N	1	0	373.432	1.147	20	30		FDEDRO
Cc1nc(N2CCN(CCNC(=O)c3ccccc3F)CC2)ccc1C#N	ZINC000488066620	538703170	/nfs/dbraw/zinc/70/31/70/538703170.db2.gz	GTOPYJPXMWRVPC-UHFFFAOYSA-N	1	0	367.428	1.953	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1	ZINC000459818213	538708389	/nfs/dbraw/zinc/70/83/89/538708389.db2.gz	OPGFJWVFDCJLET-UHFFFAOYSA-N	1	0	363.502	1.538	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)[C@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1C#N	ZINC000473001205	538732190	/nfs/dbraw/zinc/73/21/90/538732190.db2.gz	NMIXEALNCYKVLB-LZWOXQAQSA-N	1	0	358.490	1.510	20	30		FDEDRO
C[C@@H](CO)[N@@H+]1CCCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1	ZINC000468729109	538753904	/nfs/dbraw/zinc/75/39/04/538753904.db2.gz	MYAJVCCGBBWQLQ-ZDUSSCGKSA-N	1	0	355.398	1.908	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2ccc(C#N)c(F)c2)CC1	ZINC000489668446	538834663	/nfs/dbraw/zinc/83/46/63/538834663.db2.gz	QMUQQXHKFYVOGA-CYBMUJFWSA-N	1	0	354.451	1.002	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]1CCCS1	ZINC000498828168	538856921	/nfs/dbraw/zinc/85/69/21/538856921.db2.gz	LHQWLJFVUDTRHR-KRWDZBQOSA-N	1	0	374.510	1.460	20	30		FDEDRO
C[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)N1CC[NH+](C)CC1	ZINC000506475162	538874615	/nfs/dbraw/zinc/87/46/15/538874615.db2.gz	STHXIHHGNLFFTL-KSSFIOAISA-N	1	0	352.479	1.000	20	30		FDEDRO
N#CC1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000561061632	545670407	/nfs/dbraw/zinc/67/04/07/545670407.db2.gz	IQFSYAHXCRNKMP-SFHVURJKSA-N	1	0	354.454	1.387	20	30		FDEDRO
N#Cc1cncnc1NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000561880460	545975353	/nfs/dbraw/zinc/97/53/53/545975353.db2.gz	LIXZQWLMBXNKNX-INIZCTEOSA-N	1	0	350.426	1.080	20	30		FDEDRO
C[C@@H]1CN(CCOC2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)C[C@H](C)O1	ZINC000561979850	546000190	/nfs/dbraw/zinc/00/01/90/546000190.db2.gz	GZTZNKADKCMESD-CALCHBBNSA-N	1	0	360.502	1.987	20	30		FDEDRO
C[C@@H]1CN(CCOC2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)C[C@@H](C)O1	ZINC000561979851	546000342	/nfs/dbraw/zinc/00/03/42/546000342.db2.gz	GZTZNKADKCMESD-IAGOWNOFSA-N	1	0	360.502	1.987	20	30		FDEDRO
N#CCCN(Cc1ccco1)C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2	ZINC000562748089	546253596	/nfs/dbraw/zinc/25/35/96/546253596.db2.gz	QUQSTUPYACPQDK-UHFFFAOYSA-N	1	0	352.394	1.806	20	30		FDEDRO
C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCN(c3cnccc3C#N)CC2)C1	ZINC000562930056	546315423	/nfs/dbraw/zinc/31/54/23/546315423.db2.gz	ANIZWGUWIMYCJQ-DLBZAZTESA-N	1	0	356.474	1.658	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1	ZINC000562995942	546347462	/nfs/dbraw/zinc/34/74/62/546347462.db2.gz	MYMGMYIVLAWVNY-LSDHHAIUSA-N	1	0	368.428	1.663	20	30		FDEDRO
C[N@H+](CCc1ccccc1)[C@H]1CCN(S(=O)(=O)c2cncc(C#N)c2)C1	ZINC000563437293	546535332	/nfs/dbraw/zinc/53/53/32/546535332.db2.gz	YEZHBJAOJDNIJG-SFHVURJKSA-N	1	0	370.478	1.891	20	30		FDEDRO
COc1cc(C#N)ccc1OCCN1C(=O)N[C@]2(CCCC[C@@H]2C[NH3+])C1=O	ZINC000563883862	546721675	/nfs/dbraw/zinc/72/16/75/546721675.db2.gz	XPSPANSXAFNSKH-KUHUBIRLSA-N	1	0	372.425	1.385	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)[C@@H]1CCC[NH2+]C1	ZINC000564064399	546793327	/nfs/dbraw/zinc/79/33/27/546793327.db2.gz	QRRJLDPNEXUVJX-UHOSZYNNSA-N	1	0	355.486	1.794	20	30		FDEDRO
N#Cc1ccccc1OC1CCC(NC(=O)N2CCOC3(C[NH2+]C3)C2)CC1	ZINC000564189275	546837206	/nfs/dbraw/zinc/83/72/06/546837206.db2.gz	YHDNOGLRBJSGHJ-UHFFFAOYSA-N	1	0	370.453	1.632	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@H](CO)c1ccc(Br)c(F)c1	ZINC000564210320	546845859	/nfs/dbraw/zinc/84/58/59/546845859.db2.gz	AVXHVHZCVYWALW-SWLSCSKDSA-N	1	0	374.254	1.418	20	30		FDEDRO
Cc1ccccc1C[C@@H](CO)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000564975406	547137240	/nfs/dbraw/zinc/13/72/40/547137240.db2.gz	MLGVLQFVPZTORU-SFHVURJKSA-N	1	0	358.463	1.834	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)ncc1C#N	ZINC000565188564	547244264	/nfs/dbraw/zinc/24/42/64/547244264.db2.gz	CWNZGPBLPFGWTM-OAHLLOKOSA-N	1	0	355.442	1.391	20	30		FDEDRO
C=CCc1cc(CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])cc(OC)c1OC	ZINC000565470402	547361671	/nfs/dbraw/zinc/36/16/71/547361671.db2.gz	QSMNIMAHCGRIHR-INIZCTEOSA-N	1	0	362.474	1.217	20	30		FDEDRO
CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)Cc2ccc(C#N)cc2)CC1	ZINC000565735877	547461649	/nfs/dbraw/zinc/46/16/49/547461649.db2.gz	BTJJZWMXBKKTJO-KRWDZBQOSA-N	1	0	351.472	1.070	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCC[C@](C)(OC)C1)C(C)C	ZINC000566000499	547561775	/nfs/dbraw/zinc/56/17/75/547561775.db2.gz	FRQBAFSQVUSDIR-PXNSSMCTSA-N	1	0	365.518	1.829	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2ccc(C#N)s2)CC1	ZINC000566085132	547593534	/nfs/dbraw/zinc/59/35/34/547593534.db2.gz	PKJKGMHCRPQVGK-OAHLLOKOSA-N	1	0	361.471	1.068	20	30		FDEDRO
CC(C)C[C@@H](CN1CCCC1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000566119988	547613418	/nfs/dbraw/zinc/61/34/18/547613418.db2.gz	HUBGHGSMXGVKIU-KRWDZBQOSA-N	1	0	364.515	1.827	20	30		FDEDRO
CS(=O)(=O)C1(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)CCCC1	ZINC000566129226	547617975	/nfs/dbraw/zinc/61/79/75/547617975.db2.gz	AOLITMMCGCNLGS-HNNXBMFYSA-N	1	0	352.456	1.245	20	30		FDEDRO
C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1CCC(CCC#N)CC1	ZINC000566174305	547640642	/nfs/dbraw/zinc/64/06/42/547640642.db2.gz	QZMLECKHEHSWSC-MRXNPFEDSA-N	1	0	372.469	1.968	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1	ZINC000566232512	547673069	/nfs/dbraw/zinc/67/30/69/547673069.db2.gz	QLPUWSZKBMJUIX-QWFCFKBJSA-N	1	0	374.481	1.650	20	30		FDEDRO
N#Cc1cnn2cc(C[NH+]3CCC(CN4CCCCC4=O)CC3)cnc12	ZINC000566562130	547808180	/nfs/dbraw/zinc/80/81/80/547808180.db2.gz	IIQFVTMDLGYMIS-UHFFFAOYSA-N	1	0	352.442	1.825	20	30		FDEDRO
N#Cc1cc(NC(=O)NC[C@@H]2C[NH2+]CCCO2)ccc1OCC(F)(F)F	ZINC000567093540	547991779	/nfs/dbraw/zinc/99/17/79/547991779.db2.gz	DPSXBQLMUVXWFK-ZDUSSCGKSA-N	1	0	372.347	1.999	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)C1	ZINC000567247579	548050468	/nfs/dbraw/zinc/05/04/68/548050468.db2.gz	LDZINVFXTLIAFS-BBRMVZONSA-N	1	0	358.467	1.740	20	30		FDEDRO
COC[C@@]1(CNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCC[NH2+]1	ZINC000567455130	548122444	/nfs/dbraw/zinc/12/24/44/548122444.db2.gz	UVNWEUWRILOFIK-ICSRJNTNSA-N	1	0	371.485	1.175	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+][C@H]3CC[C@@H](C(=O)N4CCCCC4)C3)cnc12	ZINC000567888360	548310608	/nfs/dbraw/zinc/31/06/08/548310608.db2.gz	BVBIBMHNVSNDLU-WBVHZDCISA-N	1	0	352.442	1.872	20	30		FDEDRO
CN(Cc1ccccc1)C(=O)C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000567891549	548311666	/nfs/dbraw/zinc/31/16/66/548311666.db2.gz	JFPJCISGZCQLGL-LJQANCHMSA-N	1	0	367.449	1.741	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1	ZINC000568500997	548561586	/nfs/dbraw/zinc/56/15/86/548561586.db2.gz	AWKLGWAWXOSGED-IBGZPJMESA-N	1	0	367.453	1.630	20	30		FDEDRO
CC(C)(CNC(=O)C(=O)NCc1ccc(CC#N)cc1)C[NH+]1CCCC1	ZINC000568510612	548568091	/nfs/dbraw/zinc/56/80/91/548568091.db2.gz	WKSGWAYYZRZKJF-UHFFFAOYSA-N	1	0	356.470	1.607	20	30		FDEDRO
C=CCn1cc(CNC(=O)N2CCCN(Cc3cscn3)CC2)nn1	ZINC000568622134	548610206	/nfs/dbraw/zinc/61/02/06/548610206.db2.gz	QBJKLPLYFDKEBD-UHFFFAOYSA-N	1	0	361.475	1.338	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NCC[N@@H+]1CCCC(C)(C)C1	ZINC000568716730	548647820	/nfs/dbraw/zinc/64/78/20/548647820.db2.gz	GJVACMFJSRVSMU-UHFFFAOYSA-N	1	0	358.442	1.744	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC[C@H](C[NH3+])C3)C2=O)cc1	ZINC000568730898	548654159	/nfs/dbraw/zinc/65/41/59/548654159.db2.gz	SLQYZJDRIHTVHR-NVXWUHKLSA-N	1	0	355.442	1.434	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1	ZINC000568944783	548738292	/nfs/dbraw/zinc/73/82/92/548738292.db2.gz	DKMRHBZVNSNADP-CQSZACIVSA-N	1	0	374.441	1.122	20	30		FDEDRO
C[NH+](C)CCNC(=O)Cn1cc(NC(=O)Nc2ccc(C#N)c(F)c2)cn1	ZINC000569396593	548903162	/nfs/dbraw/zinc/90/31/62/548903162.db2.gz	FNEGRIGCJFBOCJ-UHFFFAOYSA-N	1	0	373.392	1.216	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1	ZINC000569546333	548955816	/nfs/dbraw/zinc/95/58/16/548955816.db2.gz	ZFXDQPWWWOUTMJ-HZPDHXFCSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1	ZINC000569927464	549097790	/nfs/dbraw/zinc/09/77/90/549097790.db2.gz	WZDYWFSWNKSLSA-GOSISDBHSA-N	1	0	363.483	1.367	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC000570236843	549207993	/nfs/dbraw/zinc/20/79/93/549207993.db2.gz	JCISNDNKTGCVAR-UBDQQSCGSA-N	1	0	351.491	1.645	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1	ZINC000570357348	549250416	/nfs/dbraw/zinc/25/04/16/549250416.db2.gz	NICJKIBBOGWFCY-BBWFWOEESA-N	1	0	351.491	1.465	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]CCc2cn3c(n2)SCC3)cc1	ZINC000570391217	549261819	/nfs/dbraw/zinc/26/18/19/549261819.db2.gz	YADQUEMKDHEUQG-MRXNPFEDSA-N	1	0	358.467	1.627	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1	ZINC000570792561	549412656	/nfs/dbraw/zinc/41/26/56/549412656.db2.gz	LVAQJYKHPJJFQC-RTBURBONSA-N	1	0	355.482	1.987	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@@](C)(OC)C2(C)C)CC1	ZINC000570953287	549473378	/nfs/dbraw/zinc/47/33/78/549473378.db2.gz	YQWPWMAIOBVCNS-DNVCBOLYSA-N	1	0	351.491	1.463	20	30		FDEDRO
CO[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C12CCC2	ZINC000571024117	549496503	/nfs/dbraw/zinc/49/65/03/549496503.db2.gz	WIAQTQOTCXQFEB-HZPDHXFCSA-N	1	0	373.457	1.051	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+]	ZINC000571028333	549498452	/nfs/dbraw/zinc/49/84/52/549498452.db2.gz	MUTODTCJDQTQCQ-CQSZACIVSA-N	1	0	359.430	1.418	20	30		FDEDRO
COC[C@@]1(CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CCC[NH2+]1	ZINC000571149641	549542599	/nfs/dbraw/zinc/54/25/99/549542599.db2.gz	METVNPKOIOVDIE-FQEVSTJZSA-N	1	0	372.469	1.880	20	30		FDEDRO
Cc1cc(C(=O)NCCC[N@@H+](C)CCN(C)C)nn1-c1cccc(C#N)c1	ZINC000571848553	549780277	/nfs/dbraw/zinc/78/02/77/549780277.db2.gz	UVLOGPMWOSSKDT-UHFFFAOYSA-N	1	0	368.485	1.666	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1N1CCN(c2cc(C#N)ncn2)CC1	ZINC000572196587	549862807	/nfs/dbraw/zinc/86/28/07/549862807.db2.gz	XFSHFIVLLSNKSK-UHFFFAOYSA-N	1	0	352.442	1.615	20	30		FDEDRO
C[C@H](NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)c1ccc(C#N)cc1	ZINC000572498718	549929285	/nfs/dbraw/zinc/92/92/85/549929285.db2.gz	HMZURBFIWIYRKJ-MAUKXSAKSA-N	1	0	369.469	1.473	20	30		FDEDRO
Cc1cccc(OC[C@@H](O)C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)c1	ZINC000572524222	549934796	/nfs/dbraw/zinc/93/47/96/549934796.db2.gz	WFIRIOKEAQTPEX-KRWDZBQOSA-N	1	0	374.462	1.670	20	30		FDEDRO
CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1	ZINC000572545287	549939177	/nfs/dbraw/zinc/93/91/77/549939177.db2.gz	JBRUXNQVWLRLQE-SFHVURJKSA-N	1	0	366.469	1.994	20	30		FDEDRO
COC[C@]1(CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CCC[NH2+]1	ZINC000572734398	549983421	/nfs/dbraw/zinc/98/34/21/549983421.db2.gz	NYGFRAYXLLNQKI-GOSISDBHSA-N	1	0	372.404	1.773	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1	ZINC000572734302	549983629	/nfs/dbraw/zinc/98/36/29/549983629.db2.gz	FBWJAVNGSMFRKB-UHFFFAOYSA-N	1	0	366.421	1.883	20	30		FDEDRO
C[NH2+]CCSCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000572758501	549988539	/nfs/dbraw/zinc/98/85/39/549988539.db2.gz	MLNAQJIDTBPFTL-INIZCTEOSA-N	1	0	350.463	1.487	20	30		FDEDRO
N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1	ZINC000573339096	550115662	/nfs/dbraw/zinc/11/56/62/550115662.db2.gz	DJDXRILVXJTAFN-BXUZGUMPSA-N	1	0	373.363	1.456	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C#N)c(Br)c3)C[C@@H]21	ZINC000573417150	550131753	/nfs/dbraw/zinc/13/17/53/550131753.db2.gz	USCQLYFVFMDSBI-RISCZKNCSA-N	1	0	370.272	1.645	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)nc1	ZINC000573565182	550165858	/nfs/dbraw/zinc/16/58/58/550165858.db2.gz	WNPBNKATHCEAQE-PKOBYXMFSA-N	1	0	371.462	1.483	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CNS(=O)(=O)CCC(C)(C)C#N)cc1	ZINC000573846022	550220844	/nfs/dbraw/zinc/22/08/44/550220844.db2.gz	BCBIQCJFQGADER-UHFFFAOYSA-N	1	0	353.488	1.986	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(c3cnccc3C#N)CC2)CC1	ZINC000574016103	550246541	/nfs/dbraw/zinc/24/65/41/550246541.db2.gz	IGPRCKYOTIOESA-UHFFFAOYSA-N	1	0	354.458	1.435	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(CC[NH3+])CC2)cc1	ZINC000574165271	550269202	/nfs/dbraw/zinc/26/92/02/550269202.db2.gz	SUCYXRZFCQRRLZ-UHFFFAOYSA-N	1	0	358.442	1.128	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)c1ccc(Cl)cc1	ZINC000574468103	550319392	/nfs/dbraw/zinc/31/93/92/550319392.db2.gz	CTZSLAAGCUCLRG-HNNXBMFYSA-N	1	0	371.828	1.964	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]Cc3ccccc3CN3CCOCC3)cnc12	ZINC000574586336	550338137	/nfs/dbraw/zinc/33/81/37/550338137.db2.gz	BZEWLLOWPQSONM-UHFFFAOYSA-N	1	0	362.437	1.723	20	30		FDEDRO
COC[C@@H](C)OC[C@@H](O)C[NH2+]C1CCC(Oc2ncccc2C#N)CC1	ZINC000574870877	550384137	/nfs/dbraw/zinc/38/41/37/550384137.db2.gz	BZONBEAPLUZBFH-YKWDICOMSA-N	1	0	363.458	1.645	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)NCC(=O)NCC[NH+]1CCCCCC1	ZINC000575092962	550424473	/nfs/dbraw/zinc/42/44/73/550424473.db2.gz	UTLQAKPGFJLOOF-UHFFFAOYSA-N	1	0	373.457	1.681	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1C#N	ZINC000575840695	550481359	/nfs/dbraw/zinc/48/13/59/550481359.db2.gz	NDXJGELCSHGBAZ-MQVJKMGUSA-N	1	0	371.489	1.057	20	30		FDEDRO
C[NH+]1CCC(n2ccc(=NC(=O)C(=O)Nc3ccc(C#N)cc3)[nH]2)CC1	ZINC000576300950	550533661	/nfs/dbraw/zinc/53/36/61/550533661.db2.gz	WAVWGZPKOAXLDX-UHFFFAOYSA-N	1	0	352.398	1.599	20	30		FDEDRO
N#Cc1cccc([N+](=O)[O-])c1CN1C(=O)N[C@]2(CCCC[C@H]2C[NH3+])C1=O	ZINC000576515819	550557797	/nfs/dbraw/zinc/55/77/97/550557797.db2.gz	WKLBWCMKUHLOPR-SJCJKPOMSA-N	1	0	357.370	1.406	20	30		FDEDRO
C[N@H+](CCNC(=O)C(=O)Nc1ccc(C#N)cn1)Cc1ccc(F)cc1	ZINC000576810124	550588136	/nfs/dbraw/zinc/58/81/36/550588136.db2.gz	XAPIJQQILZZQFE-UHFFFAOYSA-N	1	0	355.373	1.279	20	30		FDEDRO
C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000577609872	550675122	/nfs/dbraw/zinc/67/51/22/550675122.db2.gz	QMVOGMBOSFYUDG-DTWKUNHWSA-N	1	0	353.220	1.501	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1	ZINC000577665338	550681544	/nfs/dbraw/zinc/68/15/44/550681544.db2.gz	NCPCUECCQZAGGQ-ROUUACIJSA-N	1	0	362.499	1.531	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@@H]1CCCOC1	ZINC000577943981	550710942	/nfs/dbraw/zinc/71/09/42/550710942.db2.gz	MXGNHBLYZTVEDG-CVEARBPZSA-N	1	0	362.499	1.568	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)NCC[C@@H]3CCC[NH2+]C3)C2=O)cc1	ZINC000578173003	550735755	/nfs/dbraw/zinc/73/57/55/550735755.db2.gz	XJYLASXNGQRKOJ-FUHWJXTLSA-N	1	0	369.469	1.743	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ncc1C#N	ZINC000578246621	550744623	/nfs/dbraw/zinc/74/46/23/550744623.db2.gz	WRLOBELMGCYXTM-GJZGRUSLSA-N	1	0	369.469	1.969	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC(C#N)CC1)c1ccc(Cl)cc1	ZINC000578814755	550804365	/nfs/dbraw/zinc/80/43/65/550804365.db2.gz	OFIOMHXIPAJWIV-MRXNPFEDSA-N	1	0	362.861	1.821	20	30		FDEDRO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)[C@@H]3COC[C@H]3O)sc2C1	ZINC000578893785	550813227	/nfs/dbraw/zinc/81/32/27/550813227.db2.gz	GDODBFOIOXQAEO-KCPJHIHWSA-N	1	0	363.483	1.765	20	30		FDEDRO
N#CC1(NC(=O)[C@@H]2CCCCC(=O)N2)CC[NH+](Cc2ccccc2)CC1	ZINC000579073192	550831850	/nfs/dbraw/zinc/83/18/50/550831850.db2.gz	DMOOTVIBCBRFHE-KRWDZBQOSA-N	1	0	354.454	1.720	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCN2CCc3ccccc3C2)cc1	ZINC000579543100	550883776	/nfs/dbraw/zinc/88/37/76/550883776.db2.gz	BTZFPKXADFGPDP-UHFFFAOYSA-N	1	0	369.490	1.980	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1	ZINC000579613195	550892652	/nfs/dbraw/zinc/89/26/52/550892652.db2.gz	HSGSIYQCLSRLSA-DLBZAZTESA-N	1	0	351.491	1.594	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](C(=O)NCCN3C[C@H]4CC[C@@H](C3)O4)C2)c(F)c1	ZINC000579679736	550898173	/nfs/dbraw/zinc/89/81/73/550898173.db2.gz	VGQBFSLDPMVSRQ-YESZJQIVSA-N	1	0	372.444	1.503	20	30		FDEDRO
N#Cc1ncn(CC[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)n1	ZINC000579948998	550927047	/nfs/dbraw/zinc/92/70/47/550927047.db2.gz	MSHVDCLGOBNXDQ-LLVKDONJSA-N	1	0	356.213	1.486	20	30		FDEDRO
CC1(C)[C@H](O)C[C@@H]1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000579975655	550930166	/nfs/dbraw/zinc/93/01/66/550930166.db2.gz	YMVJIMOWYUEZKH-LSDHHAIUSA-N	1	0	354.372	1.922	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H](C[NH3+])C2)cc1	ZINC000580529152	550991413	/nfs/dbraw/zinc/99/14/13/550991413.db2.gz	KCCUKLTZZVXBFY-CQSZACIVSA-N	1	0	366.487	1.696	20	30		FDEDRO
N#Cc1cnc2ccccc2c1N1CCN(C(=O)NC[C@H]2CCC[NH2+]2)CC1	ZINC000580533226	550991882	/nfs/dbraw/zinc/99/18/82/550991882.db2.gz	UJXODSHSGHFYRM-MRXNPFEDSA-N	1	0	364.453	1.690	20	30		FDEDRO
C=CCn1c(CCCC)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000580979553	551039336	/nfs/dbraw/zinc/03/93/36/551039336.db2.gz	LELDMHFAHHGMDZ-INIZCTEOSA-N	1	0	360.506	1.550	20	30		FDEDRO
COC(=O)c1ccc(Sc2nnc(C3CC[NH2+]CC3)n2C)c(C#N)n1	ZINC000581022477	551044263	/nfs/dbraw/zinc/04/42/63/551044263.db2.gz	WKNFTBUVSZVFBV-UHFFFAOYSA-N	1	0	358.427	1.487	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]CC1(N2CCOC(C)(C)C2)CCCCC1	ZINC000581543513	551102174	/nfs/dbraw/zinc/10/21/74/551102174.db2.gz	JSHSGPGCUDXPGK-SFHVURJKSA-N	1	0	366.550	1.596	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(CC[NH3+])CC2)c1	ZINC000581553643	551104057	/nfs/dbraw/zinc/10/40/57/551104057.db2.gz	YTMNAVXNOCNYPY-UHFFFAOYSA-N	1	0	351.472	1.352	20	30		FDEDRO
Cn1nccc1[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CCO1	ZINC000582058385	551169867	/nfs/dbraw/zinc/16/98/67/551169867.db2.gz	ZEAWSGZVOUSSTE-HLIPFELVSA-N	1	0	370.453	1.736	20	30		FDEDRO
Cc1nn(C)c(N2CC[NH+](CCN3CCc4ccccc43)CC2)c1C#N	ZINC000582277831	551199918	/nfs/dbraw/zinc/19/99/18/551199918.db2.gz	SYKBUORQFIWKTN-UHFFFAOYSA-N	1	0	350.470	1.785	20	30		FDEDRO
CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cccc(C#N)n1	ZINC000582300219	551203971	/nfs/dbraw/zinc/20/39/71/551203971.db2.gz	LXYQBFKQNPUKMJ-GDBMZVCRSA-N	1	0	357.458	1.909	20	30		FDEDRO
N#Cc1ccncc1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1	ZINC000582318426	551206824	/nfs/dbraw/zinc/20/68/24/551206824.db2.gz	SDFZZQLNKRDMOJ-INIZCTEOSA-N	1	0	363.421	1.903	20	30		FDEDRO
N#Cc1cccnc1-n1cc(NC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cn1	ZINC000582475799	551229383	/nfs/dbraw/zinc/22/93/83/551229383.db2.gz	ORGWMSPZCRWHJW-JKSUJKDBSA-N	1	0	351.414	1.649	20	30		FDEDRO
C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1=O	ZINC000582934378	551282780	/nfs/dbraw/zinc/28/27/80/551282780.db2.gz	MEMUKRIUPCHSGC-INIZCTEOSA-N	1	0	351.472	1.156	20	30		FDEDRO
CN(C)C[C@@](C)(C#N)NC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1	ZINC000583179311	551314478	/nfs/dbraw/zinc/31/44/78/551314478.db2.gz	LJTARWBFTAIMGZ-OAHLLOKOSA-N	1	0	366.347	1.860	20	30		FDEDRO
N#Cc1cccc(NC(=O)C2CCN(C(=O)NCC[C@H]3CC[NH2+]C3)CC2)c1	ZINC000583554481	551368278	/nfs/dbraw/zinc/36/82/78/551368278.db2.gz	DGKNYIVGTKKRQO-OAHLLOKOSA-N	1	0	369.469	1.918	20	30		FDEDRO
N#Cc1cccc(-c2csc(NC(=O)C(=O)N3CCC[C@H](C[NH3+])C3)n2)c1	ZINC000583681429	551386484	/nfs/dbraw/zinc/38/64/84/551386484.db2.gz	KMCWPCXZKZZZCK-CYBMUJFWSA-N	1	0	369.450	1.818	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1	ZINC000583835415	551408662	/nfs/dbraw/zinc/40/86/62/551408662.db2.gz	DMPITGYZOCZGNA-JKSUJKDBSA-N	1	0	369.531	1.369	20	30		FDEDRO
CC(C)NS(=O)(=O)NCC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F	ZINC000584083053	551444256	/nfs/dbraw/zinc/44/42/56/551444256.db2.gz	ZAGQDHLLOFEHLK-UHFFFAOYSA-N	1	0	364.393	1.499	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1)c1cccc(C#N)c1	ZINC000585692993	551582696	/nfs/dbraw/zinc/58/26/96/551582696.db2.gz	IIVOYXAOKJHQNO-INIZCTEOSA-N	1	0	356.470	1.974	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccc(C#N)cc1	ZINC000585713198	551586327	/nfs/dbraw/zinc/58/63/27/551586327.db2.gz	JNXAKIPJYZMXHI-MAUKXSAKSA-N	1	0	354.454	1.822	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1	ZINC000585716894	551586740	/nfs/dbraw/zinc/58/67/40/551586740.db2.gz	AWOPFJHWNSACRB-RTBURBONSA-N	1	0	359.470	1.485	20	30		FDEDRO
C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCc1ccc(C#N)cc1F	ZINC000586864226	551628022	/nfs/dbraw/zinc/62/80/22/551628022.db2.gz	OJKICWXRLJOGKF-ZDUSSCGKSA-N	1	0	360.433	1.502	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC[C@H]21	ZINC000586864972	551628061	/nfs/dbraw/zinc/62/80/61/551628061.db2.gz	VGXIGMTXSASAPG-NVXWUHKLSA-N	1	0	358.417	1.256	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1)c1cccc(C#N)c1	ZINC000587667202	551633482	/nfs/dbraw/zinc/63/34/82/551633482.db2.gz	YWOMZGKCEPLHDU-HNNXBMFYSA-N	1	0	356.470	1.926	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2)c1cccc(C#N)c1	ZINC000587674543	551633900	/nfs/dbraw/zinc/63/39/00/551633900.db2.gz	NBMWICRZTXWDOP-OAHLLOKOSA-N	1	0	354.454	1.822	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1cccc(C#N)c1	ZINC000587705935	551634549	/nfs/dbraw/zinc/63/45/49/551634549.db2.gz	TUWSRTZGGPDELI-RDJZCZTQSA-N	1	0	354.454	1.680	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1)c1cccc(C#N)c1	ZINC000587721548	551635277	/nfs/dbraw/zinc/63/52/77/551635277.db2.gz	YAPNOCJHTVQCCE-HNNXBMFYSA-N	1	0	356.470	1.974	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCC[N@H+](C)C2)cc1	ZINC000588293346	551664802	/nfs/dbraw/zinc/66/48/02/551664802.db2.gz	HKRGAZKHBUSTLL-JSGCOSHPSA-N	1	0	350.444	1.588	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1cccc(CC#N)c1	ZINC000588903547	551698245	/nfs/dbraw/zinc/69/82/45/551698245.db2.gz	HPHFGTZNJYOWGO-UHFFFAOYSA-N	1	0	352.504	1.257	20	30		FDEDRO
COc1ccc(CCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1	ZINC000589058754	551707080	/nfs/dbraw/zinc/70/70/80/551707080.db2.gz	XYFPNCVEUMMTQL-UHFFFAOYSA-N	1	0	359.451	1.958	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CCN(C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)C2)nc1	ZINC000589886851	551749410	/nfs/dbraw/zinc/74/94/10/551749410.db2.gz	KJBDEZDEPFTYLX-IRXDYDNUSA-N	1	0	355.442	1.600	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3ccc(C#N)c(F)c3)CC2)C1	ZINC000589894222	551749803	/nfs/dbraw/zinc/74/98/03/551749803.db2.gz	LISMCPGFWULVEB-HNNXBMFYSA-N	1	0	366.462	1.098	20	30		FDEDRO
C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000590005081	551756099	/nfs/dbraw/zinc/75/60/99/551756099.db2.gz	JSIAWNYQCVUYHS-PMACEKPBSA-N	1	0	366.465	1.899	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1	ZINC000590120004	551761394	/nfs/dbraw/zinc/76/13/94/551761394.db2.gz	CEIPGJZAJFVUCU-IBGZPJMESA-N	1	0	356.470	1.951	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21	ZINC000590279977	551769535	/nfs/dbraw/zinc/76/95/35/551769535.db2.gz	FSDATZSNVITQFO-GOEBONIOSA-N	1	0	356.426	1.446	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](NC(=O)COc2cccc(Br)c2C#N)C1	ZINC000590665190	551802983	/nfs/dbraw/zinc/80/29/83/551802983.db2.gz	ZZWMVQYULUCSIB-LLVKDONJSA-N	1	0	352.232	1.910	20	30		FDEDRO
N#Cc1cc(NCC2([NH+]3CCOCC3)CCOCC2)c2ccccc2n1	ZINC000591175397	551849097	/nfs/dbraw/zinc/84/90/97/551849097.db2.gz	BMEIOXCRXLVKGW-UHFFFAOYSA-N	1	0	352.438	1.822	20	30		FDEDRO
N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@@H](C[NH3+])C3)cn2)cc1	ZINC000591277789	551855458	/nfs/dbraw/zinc/85/54/58/551855458.db2.gz	YVGWNEMUQGBLJS-INIZCTEOSA-N	1	0	353.382	1.937	20	30		FDEDRO
CN1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)[C@@H](C[NH3+])C1	ZINC000591277621	551855725	/nfs/dbraw/zinc/85/57/25/551855725.db2.gz	SDCXFWUSCBIJOY-INIZCTEOSA-N	1	0	366.425	1.852	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)cc1C(F)(F)F	ZINC000591292313	551857127	/nfs/dbraw/zinc/85/71/27/551857127.db2.gz	JLNICMYJWNXHMB-GFCCVEGCSA-N	1	0	354.332	1.774	20	30		FDEDRO
C[C@@H]([NH3+])[C@H]1CN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CCO1	ZINC000591297776	551857946	/nfs/dbraw/zinc/85/79/46/551857946.db2.gz	SPODLKPJKLQZGD-IAQYHMDHSA-N	1	0	374.832	1.977	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCO1	ZINC000591299334	551858107	/nfs/dbraw/zinc/85/81/07/551858107.db2.gz	GNUISLOJLISTJP-ZANVPECISA-N	1	0	370.331	1.090	20	30		FDEDRO
CC[C@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)CC[C@@H]1[NH3+]	ZINC000591303814	551859124	/nfs/dbraw/zinc/85/91/24/551859124.db2.gz	COAYELDHWKHVCI-GJZGRUSLSA-N	1	0	358.442	1.870	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1	ZINC000591308472	551860287	/nfs/dbraw/zinc/86/02/87/551860287.db2.gz	VQSBVEZBEXMRDN-HZPDHXFCSA-N	1	0	370.453	1.744	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)CC2)nc1	ZINC000591350579	551864977	/nfs/dbraw/zinc/86/49/77/551864977.db2.gz	RKQHMSUYYQPGQJ-JQHSSLGASA-N	1	0	368.485	1.691	20	30		FDEDRO
C[C@@H](NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)c1cccc(C#N)c1	ZINC000591354516	551865174	/nfs/dbraw/zinc/86/51/74/551865174.db2.gz	NSHHJAUETAUXQW-CRAIPNDOSA-N	1	0	369.469	1.473	20	30		FDEDRO
CCO[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)[C@]12CCCO2	ZINC000591760185	551907072	/nfs/dbraw/zinc/90/70/72/551907072.db2.gz	WCBINACYENOZAS-KZNAEPCWSA-N	1	0	364.467	1.648	20	30		FDEDRO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1	ZINC000591885580	551913275	/nfs/dbraw/zinc/91/32/75/551913275.db2.gz	UYVPIOHEGJAVFJ-KBXCAEBGSA-N	1	0	354.454	1.678	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(c2nc(N)[nH+]c3c2CCCC3)CC1	ZINC000591894256	551913852	/nfs/dbraw/zinc/91/38/52/551913852.db2.gz	DVJJCACDFLPION-UHFFFAOYSA-N	1	0	365.441	2.001	20	30		FDEDRO
N#CC[C@@]1(O)CCN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000591931055	551917693	/nfs/dbraw/zinc/91/76/93/551917693.db2.gz	IORPLPGPVHICDF-HXUWFJFHSA-N	1	0	356.470	1.959	20	30		FDEDRO
COC1CC[NH+](C2(CNC(=O)N3CC[C@](O)(CC#N)C3)CCCC2)CC1	ZINC000591951482	551919654	/nfs/dbraw/zinc/91/96/54/551919654.db2.gz	GYGPAOFQVNAPMS-LJQANCHMSA-N	1	0	364.490	1.470	20	30		FDEDRO
N#CC[C@@]1(O)CCN(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1	ZINC000591957790	551920308	/nfs/dbraw/zinc/92/03/08/551920308.db2.gz	HHYGZYOVGFUNSS-HXUWFJFHSA-N	1	0	372.469	1.721	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN(S(=O)(=O)Cc1ccc(C#N)cc1F)CCO2	ZINC000592103312	551942408	/nfs/dbraw/zinc/94/24/08/551942408.db2.gz	GKWSHNHPGJCIRE-UHFFFAOYSA-N	1	0	367.446	1.324	20	30		FDEDRO
CCO[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)[C@@H]1SC	ZINC000592172805	551953665	/nfs/dbraw/zinc/95/36/65/551953665.db2.gz	COIUTWNNDXKTES-NFAWXSAZSA-N	1	0	355.485	1.226	20	30		FDEDRO
N#Cc1ccc(Cn2cnc3c(c2=O)CC[NH2+]CC3)c(Br)c1	ZINC000592177791	551954324	/nfs/dbraw/zinc/95/43/24/551954324.db2.gz	RFSAWEPZBKRLDR-UHFFFAOYSA-N	1	0	359.227	1.614	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)cc1C#N	ZINC000592239877	551965726	/nfs/dbraw/zinc/96/57/26/551965726.db2.gz	SKIYNUIPTBXWJQ-CQSZACIVSA-N	1	0	373.457	1.929	20	30		FDEDRO
C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1cccc(C#N)n1	ZINC000592288264	551972902	/nfs/dbraw/zinc/97/29/02/551972902.db2.gz	CTKHOXSORIBLCJ-CQSZACIVSA-N	1	0	351.410	1.528	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(C(=O)c3cccn3C)CC2)CC1	ZINC000592302548	551975607	/nfs/dbraw/zinc/97/56/07/551975607.db2.gz	WXYQIPWPBNUSHM-UHFFFAOYSA-N	1	0	373.501	1.533	20	30		FDEDRO
CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)c1	ZINC000592304412	551976138	/nfs/dbraw/zinc/97/61/38/551976138.db2.gz	LJLBEGSSVBZCAJ-IBGZPJMESA-N	1	0	358.442	1.344	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC)nc2OC)CC1	ZINC000592359135	551984139	/nfs/dbraw/zinc/98/41/39/551984139.db2.gz	NPVMQNWIFCLFFC-UHFFFAOYSA-N	1	0	362.430	1.194	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCCc3c2cnn3CCO)cc1	ZINC000592429918	551994348	/nfs/dbraw/zinc/99/43/48/551994348.db2.gz	UPDMYPUGBIPDPM-QAPCUYQASA-N	1	0	356.426	1.154	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@H]3CCCCNC3=O)CC2)c1	ZINC000593003742	552052549	/nfs/dbraw/zinc/05/25/49/552052549.db2.gz	MXUWDRLVVGCDHF-SFHVURJKSA-N	1	0	369.469	1.491	20	30		FDEDRO
CCOC[C@H]1C(=O)N(C2CC[NH+](Cc3cccc(C#N)c3)CC2)C(=O)N1C	ZINC000593232414	552075138	/nfs/dbraw/zinc/07/51/38/552075138.db2.gz	NPHVNRHGFNRCKV-SFHVURJKSA-N	1	0	370.453	1.822	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(N3C(=O)[C@H]4[C@H](O)CCCN4C3=O)CC2)c1	ZINC000593232896	552075229	/nfs/dbraw/zinc/07/52/29/552075229.db2.gz	RXFWMHFNCJYQHD-QZTJIDSGSA-N	1	0	368.437	1.310	20	30		FDEDRO
C[NH+](C)CCN1CCN(C(=O)CCCCOc2cccc(C#N)c2)CC1=O	ZINC000593234201	552075356	/nfs/dbraw/zinc/07/53/56/552075356.db2.gz	GPNNROSBBQAPLX-UHFFFAOYSA-N	1	0	372.469	1.340	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)C[C@@H]3CCCC(=O)N3)CC2)c1	ZINC000593350199	552094140	/nfs/dbraw/zinc/09/41/40/552094140.db2.gz	VDYYGBJGVQNDNC-SFHVURJKSA-N	1	0	354.454	1.698	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)Cn3cc([N+](=O)[O-])cn3)CC2)c1	ZINC000593355911	552095135	/nfs/dbraw/zinc/09/51/35/552095135.db2.gz	SHEGXRCGLKJCNZ-UHFFFAOYSA-N	1	0	368.397	1.444	20	30		FDEDRO
CCN1CC[C@@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1=O	ZINC000593402435	552103151	/nfs/dbraw/zinc/10/31/51/552103151.db2.gz	LXPOMGIIYNFDKM-GOSISDBHSA-N	1	0	369.469	1.443	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NCCc3cn[nH]c3)CC2)c1	ZINC000593409279	552104402	/nfs/dbraw/zinc/10/44/02/552104402.db2.gz	XEJQCNQMHHRVAU-UHFFFAOYSA-N	1	0	352.442	1.788	20	30		FDEDRO
CO[C@@H]1COC[C@H]1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593418590	552105677	/nfs/dbraw/zinc/10/56/77/552105677.db2.gz	WVODQWYSIRSAHH-QZTJIDSGSA-N	1	0	358.442	1.236	20	30		FDEDRO
CNC(=O)CCN(C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593511675	552119963	/nfs/dbraw/zinc/11/99/63/552119963.db2.gz	OSOMCOJICAVTNQ-UHFFFAOYSA-N	1	0	357.458	1.300	20	30		FDEDRO
C[C@H]1C(=O)N(C)CCN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593513595	552119990	/nfs/dbraw/zinc/11/99/90/552119990.db2.gz	LPUMDVYEYIOXPQ-HNNXBMFYSA-N	1	0	369.469	1.395	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@H]3CC[C@H](O)C3)CC2)c1	ZINC000593514654	552120567	/nfs/dbraw/zinc/12/05/67/552120567.db2.gz	YAKFAZMWYDWSDM-LPHOPBHVSA-N	1	0	356.470	1.983	20	30		FDEDRO
CNC(=O)[C@H]1CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000593518904	552121592	/nfs/dbraw/zinc/12/15/92/552121592.db2.gz	XZBXSKIKOBEFHM-KRWDZBQOSA-N	1	0	369.469	1.300	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000593530318	552124534	/nfs/dbraw/zinc/12/45/34/552124534.db2.gz	KBKHCUKAQJKKBJ-GJZGRUSLSA-N	1	0	363.439	1.250	20	30		FDEDRO
CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1C(=O)OC	ZINC000593597187	552147297	/nfs/dbraw/zinc/14/72/97/552147297.db2.gz	XBOBFBYVSDQXRG-ZDUSSCGKSA-N	1	0	367.471	1.744	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCC[C@H]1CCC[N@H+](C)C1	ZINC000593605268	552149819	/nfs/dbraw/zinc/14/98/19/552149819.db2.gz	FHHLKTNRYLXNIS-CYBMUJFWSA-N	1	0	365.455	1.355	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCC3(C[NH3+])CC3)C2=O)cc1	ZINC000593708580	552179108	/nfs/dbraw/zinc/17/91/08/552179108.db2.gz	WBOVJJIYXUBORA-MRXNPFEDSA-N	1	0	355.442	1.087	20	30		FDEDRO
C[C@@]1(F)CNCCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000593720426	552182288	/nfs/dbraw/zinc/18/22/88/552182288.db2.gz	KSYXPTPJLZCOOF-HXUWFJFHSA-N	1	0	373.476	1.866	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCC2CC[NH2+]CC2)cc1	ZINC000593762723	552193502	/nfs/dbraw/zinc/19/35/02/552193502.db2.gz	GLPXBRAHOVVEFP-CYBMUJFWSA-N	1	0	364.471	1.884	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1	ZINC000593766899	552194279	/nfs/dbraw/zinc/19/42/79/552194279.db2.gz	MIEDXRSYBJSYGP-ZMSDIMECSA-N	1	0	356.426	1.242	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cccnc3C(N)=O)CC2)c1	ZINC000593886565	552217638	/nfs/dbraw/zinc/21/76/38/552217638.db2.gz	RNSJISVWIVKRFA-UHFFFAOYSA-N	1	0	363.421	1.447	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1	ZINC000593908284	552223316	/nfs/dbraw/zinc/22/33/16/552223316.db2.gz	JUMRAJRWWDEYAV-WMZOPIPTSA-N	1	0	373.453	1.691	20	30		FDEDRO
CSC[C@H](C)NC(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593928843	552228029	/nfs/dbraw/zinc/22/80/29/552228029.db2.gz	KEUXSASKKPXOON-AWEZNQCLSA-N	1	0	374.510	1.507	20	30		FDEDRO
CC1(C)C(=O)N[C@H]1C1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000593993509	552235987	/nfs/dbraw/zinc/23/59/87/552235987.db2.gz	USGQNYIWGUEZSB-MJGOQNOKSA-N	1	0	371.481	1.729	20	30		FDEDRO
N#Cc1ccc(NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1C(F)(F)F	ZINC000594075961	552246518	/nfs/dbraw/zinc/24/65/18/552246518.db2.gz	YWNOCWWZCPKFTF-QWHCGFSZSA-N	1	0	354.332	1.860	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1	ZINC000594089488	552247809	/nfs/dbraw/zinc/24/78/09/552247809.db2.gz	WYPCFNWPQUUDII-SHTZXODSSA-N	1	0	353.430	1.909	20	30		FDEDRO
CC[C@@H](C#N)N(C)C(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C	ZINC000594090817	552247811	/nfs/dbraw/zinc/24/78/11/552247811.db2.gz	WTLCMJBCTBIXTH-HNNXBMFYSA-N	1	0	352.442	1.938	20	30		FDEDRO
C[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)N1C[C@@H](C)O[C@@H](C)C1	ZINC000594098977	552248706	/nfs/dbraw/zinc/24/87/06/552248706.db2.gz	KOQGUARLPRPUSZ-ZTENYAIWSA-N	1	0	367.490	1.862	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(CC[NH+]2CCCC2)CC1	ZINC000594227244	552267517	/nfs/dbraw/zinc/26/75/17/552267517.db2.gz	UVXYJLCQSVKPAD-GOSISDBHSA-N	1	0	354.498	1.977	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000594299704	552281669	/nfs/dbraw/zinc/28/16/69/552281669.db2.gz	NSJUEXLMMNJUII-PXNSSMCTSA-N	1	0	370.497	1.260	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000594299703	552281867	/nfs/dbraw/zinc/28/18/67/552281867.db2.gz	NSJUEXLMMNJUII-FXAWDEMLSA-N	1	0	370.497	1.260	20	30		FDEDRO
N#CCCCn1cc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c2ccccc21	ZINC000594387568	552300748	/nfs/dbraw/zinc/30/07/48/552300748.db2.gz	UNRHSUNDZRECAP-JKSUJKDBSA-N	1	0	352.438	1.836	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1	ZINC000594427853	552308479	/nfs/dbraw/zinc/30/84/79/552308479.db2.gz	KKCDEHRGXWKSRC-OAHLLOKOSA-N	1	0	350.444	1.576	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1	ZINC000594429043	552308875	/nfs/dbraw/zinc/30/88/75/552308875.db2.gz	PZWUMWWLEXACIN-KRWDZBQOSA-N	1	0	358.442	1.438	20	30		FDEDRO
CC(C)(C)c1nc(CN2CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC2)no1	ZINC000594439439	552310441	/nfs/dbraw/zinc/31/04/41/552310441.db2.gz	QMXFKLSNYMRQHN-AWEZNQCLSA-N	1	0	362.478	1.423	20	30		FDEDRO
Cc1cccc([C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)N2CCOCC2)c1	ZINC000594441726	552311117	/nfs/dbraw/zinc/31/11/17/552311117.db2.gz	VWDUJMHMCDHWSY-MOPGFXCFSA-N	1	0	358.486	1.896	20	30		FDEDRO
CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)[C@H]([NH3+])CCCCC#N	ZINC000594446691	552312227	/nfs/dbraw/zinc/31/22/27/552312227.db2.gz	RLHDJPBYBFVPJG-GOEBONIOSA-N	1	0	351.472	1.766	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1	ZINC000594450345	552312673	/nfs/dbraw/zinc/31/26/73/552312673.db2.gz	YYDIBJMBTQEXKP-MCIONIFRSA-N	1	0	351.353	1.727	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH2+]C3CCN([C@H]4CCOC4)CC3)C2=O)cc1	ZINC000594503768	552326570	/nfs/dbraw/zinc/32/65/70/552326570.db2.gz	BIRAQLIVNZFRQM-PMACEKPBSA-N	1	0	368.481	1.897	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1	ZINC000594645733	552348151	/nfs/dbraw/zinc/34/81/51/552348151.db2.gz	ZCXIPAVMMXDHCT-INIZCTEOSA-N	1	0	363.483	1.365	20	30		FDEDRO
COC(=O)c1ccc(OC[C@@H](O)C[NH2+]CCc2ccc(C#N)cc2)cc1	ZINC000594717984	552362799	/nfs/dbraw/zinc/36/27/99/552362799.db2.gz	JPGUOZOPHSNSOR-SFHVURJKSA-N	1	0	354.406	1.917	20	30		FDEDRO
C=CCCSCCNS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C	ZINC000594814968	552395508	/nfs/dbraw/zinc/39/55/08/552395508.db2.gz	HKOFEEQRQCFLDM-UHFFFAOYSA-N	1	0	360.549	1.649	20	30		FDEDRO
N#CC1(c2ccc(C[NH2+]CCNS(=O)(=O)Cc3ccon3)cc2)CC1	ZINC000594935635	552424861	/nfs/dbraw/zinc/42/48/61/552424861.db2.gz	GTQJKCXFURGQBD-UHFFFAOYSA-N	1	0	360.439	1.439	20	30		FDEDRO
Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC[C@H]1C[NH2+]CCCO1	ZINC000595109783	552453745	/nfs/dbraw/zinc/45/37/45/552453745.db2.gz	PQCAVKFRQPJOFA-CYBMUJFWSA-N	1	0	365.480	1.738	20	30		FDEDRO
N#Cc1ncccc1S(=O)(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1	ZINC000595117240	552456531	/nfs/dbraw/zinc/45/65/31/552456531.db2.gz	BAOFCDXANQVKNA-HOCLYGCPSA-N	1	0	360.414	1.516	20	30		FDEDRO
N#Cc1cncc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2c2cccc(F)c2)c1	ZINC000595119813	552457207	/nfs/dbraw/zinc/45/72/07/552457207.db2.gz	ILEXTIITWYCHJA-IRXDYDNUSA-N	1	0	360.414	1.516	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1Br	ZINC000595122558	552457820	/nfs/dbraw/zinc/45/78/20/552457820.db2.gz	MOUREUITHIMLDE-VXGBXAGGSA-N	1	0	362.224	1.381	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000595129651	552460492	/nfs/dbraw/zinc/46/04/92/552460492.db2.gz	GVQALODDQCQJMI-SFHVURJKSA-N	1	0	372.469	1.086	20	30		FDEDRO
CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)N3CC[C@](C)(C#N)C3)C2)CC1	ZINC000595145704	552466989	/nfs/dbraw/zinc/46/69/89/552466989.db2.gz	DRLXAYDDKFFCCS-YLJYHZDGSA-N	1	0	360.502	1.719	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1	ZINC000595149907	552468488	/nfs/dbraw/zinc/46/84/88/552468488.db2.gz	GSOAMEFGZPBLPU-INIZCTEOSA-N	1	0	353.532	1.889	20	30		FDEDRO
CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[C@](C)(C#N)C1	ZINC000595158846	552471860	/nfs/dbraw/zinc/47/18/60/552471860.db2.gz	LMCPURRMECLIQF-WIYYLYMNSA-N	1	0	368.481	1.729	20	30		FDEDRO
C[NH+]1CCC(n2ccc(=NC(=O)C(=O)NCC3(C#N)CCCCC3)[nH]2)CC1	ZINC000595183451	552481334	/nfs/dbraw/zinc/48/13/34/552481334.db2.gz	RCGUTYVTPHGPAF-UHFFFAOYSA-N	1	0	372.473	1.679	20	30		FDEDRO
N#Cc1ccc(OC2CCC(NC(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)CC2)nc1	ZINC000595265065	552507797	/nfs/dbraw/zinc/50/77/97/552507797.db2.gz	XFQIVLIUOYCKSK-QDIHITRGSA-N	1	0	361.421	1.724	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1C#N	ZINC000595403382	552551026	/nfs/dbraw/zinc/55/10/26/552551026.db2.gz	DKXKDMGEFLMOTG-HNNXBMFYSA-N	1	0	351.472	1.598	20	30		FDEDRO
C[NH+](C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)c1ccc(C#N)cc1	ZINC000595404508	552551628	/nfs/dbraw/zinc/55/16/28/552551628.db2.gz	ZWBZPOJUYYVTPD-INIZCTEOSA-N	1	0	363.483	1.822	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C	ZINC000595663900	552599853	/nfs/dbraw/zinc/59/98/53/552599853.db2.gz	NGIPNDZITQMUEX-LSDHHAIUSA-N	1	0	371.489	1.441	20	30		FDEDRO
N#Cc1ccc(CCNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1	ZINC000595687823	552603133	/nfs/dbraw/zinc/60/31/33/552603133.db2.gz	MGAUGQCQZDUQAA-LJQANCHMSA-N	1	0	356.470	1.855	20	30		FDEDRO
Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]CC(=O)NCc2ccc(C#N)cc2)cn1	ZINC000595768076	552613185	/nfs/dbraw/zinc/61/31/85/552613185.db2.gz	DXOMSGFUDOINER-RBUKOAKNSA-N	1	0	351.454	1.909	20	30		FDEDRO
Cc1cc(NC(=O)CC[NH2+]C2(c3cccc(C#N)c3)CCOCC2)no1	ZINC000595775326	552613856	/nfs/dbraw/zinc/61/38/56/552613856.db2.gz	VBIDVQPBWPBPAF-UHFFFAOYSA-N	1	0	354.410	2.479	20	30		FDEDRO
C=CCC1([NH2+]CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCCC1	ZINC000595780641	552614332	/nfs/dbraw/zinc/61/43/32/552614332.db2.gz	XEJKVZDYZWQYAA-UHFFFAOYSA-N	1	0	357.458	1.982	20	30		FDEDRO
N#CCNC(=O)CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2	ZINC000595832841	552621584	/nfs/dbraw/zinc/62/15/84/552621584.db2.gz	RAUIEMORNQFESL-KRWDZBQOSA-N	1	0	369.469	1.228	20	30		FDEDRO
CC(C)NC(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000595851240	552623658	/nfs/dbraw/zinc/62/36/58/552623658.db2.gz	PTYLAWQVEPXCJJ-ZWKOTPCHSA-N	1	0	359.470	1.729	20	30		FDEDRO
N#Cc1sccc1N1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1	ZINC000595960648	552638836	/nfs/dbraw/zinc/63/88/36/552638836.db2.gz	MREUIGRQZIMKET-MRXNPFEDSA-N	1	0	352.463	1.983	20	30		FDEDRO
Cc1cc(N2CCC(O)(C[NH+]3CCOCC3)CC2)cc(C#N)c1[N+](=O)[O-]	ZINC000596190397	552663175	/nfs/dbraw/zinc/66/31/75/552663175.db2.gz	YOSZOFGEOHDQPK-UHFFFAOYSA-N	1	0	360.414	1.438	20	30		FDEDRO
Cn1ccnc1COCC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000596828082	552715128	/nfs/dbraw/zinc/71/51/28/552715128.db2.gz	IDRAKTIMJKALHW-UHFFFAOYSA-N	1	0	355.442	1.399	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)C1	ZINC000596876689	552720158	/nfs/dbraw/zinc/72/01/58/552720158.db2.gz	LNRUCHMBDBPCPX-ZFWWWQNUSA-N	1	0	364.471	1.978	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccnc2c1CC(=O)N2	ZINC000596972903	552730460	/nfs/dbraw/zinc/73/04/60/552730460.db2.gz	FXBBTACOZYZSAH-UHFFFAOYSA-N	1	0	363.421	1.652	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCc2cncn2C1	ZINC000596972934	552730484	/nfs/dbraw/zinc/73/04/84/552730484.db2.gz	HLORDDYDMZYBIE-SFHVURJKSA-N	1	0	351.454	1.908	20	30		FDEDRO
C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@H](C)c1cccc(C#N)c1	ZINC000597255567	552765701	/nfs/dbraw/zinc/76/57/01/552765701.db2.gz	OYKXDLHVZYKKIZ-HZPDHXFCSA-N	1	0	356.470	1.972	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1	ZINC000597362830	552779811	/nfs/dbraw/zinc/77/98/11/552779811.db2.gz	ZDUUOAAVXJRQJS-HNNXBMFYSA-N	1	0	353.532	1.935	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC1=CCCC1	ZINC000597402865	552784889	/nfs/dbraw/zinc/78/48/89/552784889.db2.gz	HLOMHGNWWGMPDP-UHFFFAOYSA-N	1	0	354.454	1.675	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000598156186	552869776	/nfs/dbraw/zinc/86/97/76/552869776.db2.gz	JDPAEJLUGLHMDR-GOSISDBHSA-N	1	0	364.453	1.691	20	30		FDEDRO
C[N@@H+]1CC[C@@H](C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1	ZINC000598156648	552869808	/nfs/dbraw/zinc/86/98/08/552869808.db2.gz	MXSOXNOSXJCUFJ-QGZVFWFLSA-N	1	0	364.453	1.549	20	30		FDEDRO
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc(-c2cccc(C#N)c2)no1	ZINC000598185880	552873666	/nfs/dbraw/zinc/87/36/66/552873666.db2.gz	QAVBZEXATMROCN-UHFFFAOYSA-N	1	0	369.425	1.305	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1	ZINC000598342360	552887538	/nfs/dbraw/zinc/88/75/38/552887538.db2.gz	HOFQVTGRHZHQGQ-OAHLLOKOSA-N	1	0	364.471	1.093	20	30		FDEDRO
N#Cc1ccc(CSCC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1	ZINC000598453626	552897586	/nfs/dbraw/zinc/89/75/86/552897586.db2.gz	SGKBJDRBUXUWHJ-GOSISDBHSA-N	1	0	359.495	1.849	20	30		FDEDRO
Cn1c(C#N)ccc1C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1	ZINC000598501382	552902873	/nfs/dbraw/zinc/90/28/73/552902873.db2.gz	HRABUSKTCOYGIP-GOSISDBHSA-N	1	0	351.454	1.443	20	30		FDEDRO
CC(C)NS(=O)(=O)c1cccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)c1	ZINC000598714737	552927613	/nfs/dbraw/zinc/92/76/13/552927613.db2.gz	JVIALZHMOMNPFJ-HNNXBMFYSA-N	1	0	353.488	1.764	20	30		FDEDRO
Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]C[C@H](O)CC(C)(C)C#N	ZINC000598729094	552928499	/nfs/dbraw/zinc/92/84/99/552928499.db2.gz	ZKSXGUJEZYWREJ-CQSZACIVSA-N	1	0	373.906	1.817	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1	ZINC000599101665	552967904	/nfs/dbraw/zinc/96/79/04/552967904.db2.gz	NVOVGBGNJSBNJS-KBPBESRZSA-N	1	0	361.389	1.847	20	30		FDEDRO
CN(C(=O)C[N@H+](C)C[C@H](O)CC1(C#N)CCOCC1)C1CCCCC1	ZINC000599266312	553008974	/nfs/dbraw/zinc/00/89/74/553008974.db2.gz	WTOBLXSSGQREGO-QGZVFWFLSA-N	1	0	351.491	1.781	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)CCOCC1	ZINC000599296222	553018573	/nfs/dbraw/zinc/01/85/73/553018573.db2.gz	RTQWWUPMYPIUJR-GOSISDBHSA-N	1	0	371.481	1.577	20	30		FDEDRO
CN(C)C(=O)C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1ccccc1	ZINC000599349101	553033953	/nfs/dbraw/zinc/03/39/53/553033953.db2.gz	KOQHYBIWSYZIPY-QZTJIDSGSA-N	1	0	359.470	1.867	20	30		FDEDRO
CCOC(=O)C1(COC)CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1	ZINC000599390814	553043254	/nfs/dbraw/zinc/04/32/54/553043254.db2.gz	QXJYJBJHTACNEN-INIZCTEOSA-N	1	0	368.474	1.349	20	30		FDEDRO
COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2C[C@@H](O)CC2(C#N)CCOCC2)O1	ZINC000599403592	553047986	/nfs/dbraw/zinc/04/79/86/553047986.db2.gz	DJQFNNZSOZKNAH-KSWRQPAISA-N	1	0	366.458	1.241	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@H+](CCN2CCOCC2)CC2CC2)CCOCC1	ZINC000599475408	553068313	/nfs/dbraw/zinc/06/83/13/553068313.db2.gz	OKPZBMRWHZKVDL-GOSISDBHSA-N	1	0	351.491	1.102	20	30		FDEDRO
N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H]3COCC[NH2+]3)cn2)cc1	ZINC000599601714	553100194	/nfs/dbraw/zinc/10/01/94/553100194.db2.gz	ZZISQMLUBTWXHP-OAHLLOKOSA-N	1	0	353.382	1.855	20	30		FDEDRO
COC(=O)Cn1cc(CC[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)nn1	ZINC000599634074	553108945	/nfs/dbraw/zinc/10/89/45/553108945.db2.gz	NJGWPLCZXJNMHW-UHFFFAOYSA-N	1	0	369.425	1.161	20	30		FDEDRO
COC(=O)[C@@H]1C[N@H+](C[C@H](O)CC2(C#N)CCOCC2)Cc2ccccc21	ZINC000599676768	553119564	/nfs/dbraw/zinc/11/95/64/553119564.db2.gz	GTRVDMRRTUOHBB-SJLPKXTDSA-N	1	0	358.438	1.830	20	30		FDEDRO
COc1cc(NC(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)c(F)cc1C#N	ZINC000599808659	553153434	/nfs/dbraw/zinc/15/34/34/553153434.db2.gz	AAVAOXBKZBRVQJ-TXEJJXNPSA-N	1	0	350.394	1.625	20	30		FDEDRO
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@H]1COCC[NH2+]1	ZINC000599900726	553171330	/nfs/dbraw/zinc/17/13/30/553171330.db2.gz	ZEOBIGVLYXLJKK-OLZOCXBDSA-N	1	0	362.455	1.124	20	30		FDEDRO
N#Cc1ccsc1NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1	ZINC000599901040	553171624	/nfs/dbraw/zinc/17/16/24/553171624.db2.gz	XLVZOHNUMJKZKO-ZJUUUORDSA-N	1	0	360.361	1.544	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c(F)cc1C#N	ZINC000599931799	553176475	/nfs/dbraw/zinc/17/64/75/553176475.db2.gz	HETUBKYDVCSDSZ-GFCCVEGCSA-N	1	0	362.405	1.493	20	30		FDEDRO
C[NH2+]CCOCCNC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1	ZINC000599937968	553178591	/nfs/dbraw/zinc/17/85/91/553178591.db2.gz	ZTUHNSHANIPEHZ-UHFFFAOYSA-N	1	0	365.865	1.279	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c(F)cc1C#N	ZINC000599976481	553190549	/nfs/dbraw/zinc/19/05/49/553190549.db2.gz	DZHTTZJOXAAAED-WBMJQRKESA-N	1	0	374.416	1.730	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c(F)cc1C#N	ZINC000599976399	553190757	/nfs/dbraw/zinc/19/07/57/553190757.db2.gz	ANXPQAZTFQZJQC-TZMCWYRMSA-N	1	0	374.416	1.730	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)c(F)cc1C#N	ZINC000599983233	553192963	/nfs/dbraw/zinc/19/29/63/553192963.db2.gz	UOMVWHVULCBSCF-LBPRGKRZSA-N	1	0	362.405	1.493	20	30		FDEDRO
CCNC(=O)c1cccc(C[NH2+]C[C@@H](O)COc2ccccc2C#N)c1	ZINC000600717279	553306355	/nfs/dbraw/zinc/30/63/55/553306355.db2.gz	PYTFGSWMNURHGZ-GOSISDBHSA-N	1	0	353.422	1.837	20	30		FDEDRO
CCCNC(=O)c1cccc(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)c1	ZINC000600716229	553306394	/nfs/dbraw/zinc/30/63/94/553306394.db2.gz	IVQPFHLLVRQFKM-SFHVURJKSA-N	1	0	359.470	1.987	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)CC1	ZINC000600719429	553306717	/nfs/dbraw/zinc/30/67/17/553306717.db2.gz	DRBJSPHLCCFOSZ-ZWKOTPCHSA-N	1	0	357.454	1.740	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]Cc1ccnc(N2CCOCC2)c1	ZINC000600717759	553306752	/nfs/dbraw/zinc/30/67/52/553306752.db2.gz	NIWKZZZHHWDSJX-GOSISDBHSA-N	1	0	368.437	1.319	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]CCNc2nccc(C(F)(F)F)n2)CCOCC1	ZINC000600721580	553306941	/nfs/dbraw/zinc/30/69/41/553306941.db2.gz	BULUXMHWYKZKSY-LBPRGKRZSA-N	1	0	373.379	1.568	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCNC(=O)CC1CCCCC1	ZINC000600722231	553307111	/nfs/dbraw/zinc/30/71/11/553307111.db2.gz	HKUYQVDNFIPXEL-SFHVURJKSA-N	1	0	359.470	1.974	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]CC1(N2CCCC2)CCOCC1	ZINC000600723551	553307562	/nfs/dbraw/zinc/30/75/62/553307562.db2.gz	WFTOZOHJODAULA-SFHVURJKSA-N	1	0	359.470	1.533	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCN(C(=O)C2CCCC2)C1	ZINC000600730685	553308248	/nfs/dbraw/zinc/30/82/48/553308248.db2.gz	MWIMCFRBZJMSDI-ZWKOTPCHSA-N	1	0	357.454	1.679	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]CCC1CCS(=O)(=O)CC1	ZINC000600730013	553308373	/nfs/dbraw/zinc/30/83/73/553308373.db2.gz	CTFQWDLDSZPINR-MRXNPFEDSA-N	1	0	352.456	1.102	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+][C@H]2CCCN(c3ccccc3)C2=O)CCOCC1	ZINC000600729101	553308416	/nfs/dbraw/zinc/30/84/16/553308416.db2.gz	WVYYJUVFGWWZEJ-MSOLQXFVSA-N	1	0	357.454	1.843	20	30		FDEDRO
Cn1cc([C@H]2[C@H](C[NH2+]C[C@@H](O)CC3(C#N)CC3)CC(=O)N2C(C)(C)C)cn1	ZINC000600734633	553308652	/nfs/dbraw/zinc/30/86/52/553308652.db2.gz	IRJGLQFAFYAROA-QILLFSRXSA-N	1	0	373.501	1.753	20	30		FDEDRO
COc1ccccc1N1CC[C@@H]([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000600732431	553308873	/nfs/dbraw/zinc/30/88/73/553308873.db2.gz	ZJIRWYKMEYQUCA-SJORKVTESA-N	1	0	359.470	1.935	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@H]2CCCN(c3cccnc3)C2=O)CCOCC1	ZINC000600735316	553309074	/nfs/dbraw/zinc/30/90/74/553309074.db2.gz	NOEUMLGZFRECCZ-IRXDYDNUSA-N	1	0	358.442	1.238	20	30		FDEDRO
CN1C(=O)c2ccccc2[C@@H]1C[NH2+]C[C@H](O)COc1ccccc1C#N	ZINC000600756781	553311830	/nfs/dbraw/zinc/31/18/30/553311830.db2.gz	PLQVXYHKNLMTGH-YJBOKZPZSA-N	1	0	351.406	1.714	20	30		FDEDRO
COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F	ZINC000601145828	553352428	/nfs/dbraw/zinc/35/24/28/553352428.db2.gz	SFNXAPCKMQWHEE-UWVGGRQHSA-N	1	0	357.332	1.733	20	30		FDEDRO
COCC[N@H+](C)CCN1C[C@@H](Nc2ncc3c(c2C#N)CCC3)CC1=O	ZINC000601178489	553356766	/nfs/dbraw/zinc/35/67/66/553356766.db2.gz	SHJOGEYPMQABBM-HNNXBMFYSA-N	1	0	357.458	1.033	20	30		FDEDRO
Cc1cc(F)cc(C#N)c1S(=O)(=O)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000601352228	553383234	/nfs/dbraw/zinc/38/32/34/553383234.db2.gz	HNOSGYMZOPKQQE-OAHLLOKOSA-N	1	0	355.435	1.131	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N2CCC([N@@H+]3CCCOCC3)CC2)c1C#N	ZINC000601440826	553406605	/nfs/dbraw/zinc/40/66/05/553406605.db2.gz	YZEBKGBTRFZXOY-UHFFFAOYSA-N	1	0	363.483	1.742	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N2CCCN(c3cc[nH+]cc3)CC2)cc1C#N	ZINC000601515901	553425561	/nfs/dbraw/zinc/42/55/61/553425561.db2.gz	CKGBRIZPTSMTHD-UHFFFAOYSA-N	1	0	357.439	1.558	20	30		FDEDRO
C[NH+](C)CCn1cc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)cn1	ZINC000601561347	553435724	/nfs/dbraw/zinc/43/57/24/553435724.db2.gz	LRNZCNNPNWKSJF-UHFFFAOYSA-N	1	0	352.442	1.537	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCCn1cnc(C#N)n1	ZINC000601600364	553443309	/nfs/dbraw/zinc/44/33/09/553443309.db2.gz	CDZBECKWQLTUDE-RDJZCZTQSA-N	1	0	367.457	1.217	20	30		FDEDRO
COc1ccc(CC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cc1O	ZINC000601969393	553497562	/nfs/dbraw/zinc/49/75/62/553497562.db2.gz	CMOCPLPOUXYEHY-UHFFFAOYSA-N	1	0	360.435	1.878	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2cc(F)cc(C#N)c2)CCSC1	ZINC000602030919	553504415	/nfs/dbraw/zinc/50/44/15/553504415.db2.gz	QKQHMXNPAASCAB-INIZCTEOSA-N	1	0	350.419	1.189	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccnn1CC1CCC1	ZINC000602035536	553505455	/nfs/dbraw/zinc/50/54/55/553505455.db2.gz	QNLWILYCHIEBCV-UHFFFAOYSA-N	1	0	360.462	1.316	20	30		FDEDRO
N#CC[C@]1(O)CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)C1	ZINC000602169395	553532883	/nfs/dbraw/zinc/53/28/83/553532883.db2.gz	YKZRIZUFAGNMAO-JBACZVJFSA-N	1	0	369.465	1.402	20	30		FDEDRO
C[NH+](C)[C@H]1C[C@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1(C)C	ZINC000602169699	553533265	/nfs/dbraw/zinc/53/32/65/553533265.db2.gz	GTYSKZCLKYKJCT-HOTGVXAUSA-N	1	0	352.442	1.785	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C	ZINC000602175519	553533669	/nfs/dbraw/zinc/53/36/69/553533669.db2.gz	YLOSRWUQZIVLLH-IAGOWNOFSA-N	1	0	368.485	1.995	20	30		FDEDRO
C=C(C)C[C@H](NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1)C(=O)OC	ZINC000602195856	553537816	/nfs/dbraw/zinc/53/78/16/553537816.db2.gz	LWAHZBXAYKISHS-HNNXBMFYSA-N	1	0	374.441	1.541	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@@H](O)[C@H]3CCCO3)CC2)c1	ZINC000602331726	553565046	/nfs/dbraw/zinc/56/50/46/553565046.db2.gz	HWLNOXAIGUOJEN-RTBURBONSA-N	1	0	372.469	1.362	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1	ZINC000602538973	553602376	/nfs/dbraw/zinc/60/23/76/553602376.db2.gz	NUNADFFIRZYXMT-HZPDHXFCSA-N	1	0	350.850	1.683	20	30		FDEDRO
C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(c2ccc3nncn3n2)C1	ZINC000602723642	553627932	/nfs/dbraw/zinc/62/79/32/553627932.db2.gz	ORCJWCNEAJHOKV-GJZGRUSLSA-N	1	0	355.446	1.392	20	30		FDEDRO
N#CC[C@]1(O)CCN(CC(C[N@@H+]2CC[C@@](O)(CC#N)C2)c2ccccc2)C1	ZINC000602850939	553650751	/nfs/dbraw/zinc/65/07/51/553650751.db2.gz	INEGGMPKCVHTHI-SFTDATJTSA-N	1	0	368.481	1.471	20	30		FDEDRO
C[NH+](C)C[C@]1(O)CCCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000602876167	553657309	/nfs/dbraw/zinc/65/73/09/553657309.db2.gz	FQGNSNCGVCAUQX-AZUAARDMSA-N	1	0	356.470	1.442	20	30		FDEDRO
CC1(C)NC(=O)N(CC[NH+]2CCC(Nc3ccccc3C#N)CC2)C1=O	ZINC000602895399	553663597	/nfs/dbraw/zinc/66/35/97/553663597.db2.gz	MRQPYVMXIGCFBE-UHFFFAOYSA-N	1	0	355.442	1.765	20	30		FDEDRO
CCN1CCN(C(=O)[C@@H](C)[NH+]2CCC(c3ccc(C#N)cn3)CC2)CC1	ZINC000602913041	553667496	/nfs/dbraw/zinc/66/74/96/553667496.db2.gz	QQRUJFKDHIIEGC-MRXNPFEDSA-N	1	0	355.486	1.685	20	30		FDEDRO
CN(CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1CCC[C@@H]1C#N	ZINC000602974012	553684959	/nfs/dbraw/zinc/68/49/59/553684959.db2.gz	IUYKLSXGPOGXGJ-QZTJIDSGSA-N	1	0	362.518	1.762	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(C(=O)N3C[C@H](C)N(CC#N)[C@@H](C)C3)cc2)CC1	ZINC000603102882	553708851	/nfs/dbraw/zinc/70/88/51/553708851.db2.gz	ZGGBNBTYNZKMOT-ROUUACIJSA-N	1	0	369.513	1.887	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H](C)N(CC#N)[C@H](C)C3)cc2)CC1	ZINC000603102880	553708952	/nfs/dbraw/zinc/70/89/52/553708952.db2.gz	ZGGBNBTYNZKMOT-QZTJIDSGSA-N	1	0	369.513	1.887	20	30		FDEDRO
Cc1cc(NC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)ncc1C#N	ZINC000603120243	553712625	/nfs/dbraw/zinc/71/26/25/553712625.db2.gz	MXFHJBRSKYWECQ-RDJZCZTQSA-N	1	0	356.474	1.751	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(C(=O)Nc3ccnc(C#N)c3)CC2)CC1	ZINC000603132899	553713377	/nfs/dbraw/zinc/71/33/77/553713377.db2.gz	ZTXUEKBUDKLIKO-UHFFFAOYSA-N	1	0	356.474	1.976	20	30		FDEDRO
COCC[NH2+]CCc1cn(Cc2c(C#N)c(C)nn2-c2ccccc2)nn1	ZINC000603186559	553726413	/nfs/dbraw/zinc/72/64/13/553726413.db2.gz	SKAGNVXZGBAASQ-UHFFFAOYSA-N	1	0	365.441	1.471	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H](n2cc(C[C@@H]3CCC[NH2+]C3)nn2)C1=O	ZINC000603192378	553728163	/nfs/dbraw/zinc/72/81/63/553728163.db2.gz	HTSQQOFVWSGGDG-WFASDCNBSA-N	1	0	356.455	1.731	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)Cn2cc(CC[NH+]3CCCCC3)nn2)cc1	ZINC000603262324	553747184	/nfs/dbraw/zinc/74/71/84/553747184.db2.gz	YJRXGVVPLAGHAZ-GOSISDBHSA-N	1	0	355.442	1.618	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1O2	ZINC000603276122	553751125	/nfs/dbraw/zinc/75/11/25/553751125.db2.gz	IGWSAJRVBRCTLI-KSZLIROESA-N	1	0	363.483	1.572	20	30		FDEDRO
C[N@@H+]1CCCN(CCCNS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1	ZINC000603403287	553780910	/nfs/dbraw/zinc/78/09/10/553780910.db2.gz	NETTVFHCWYNAFQ-UHFFFAOYSA-N	1	0	370.906	1.518	20	30		FDEDRO
N#Cc1ccc(NCC2CC[NH+](CC3CC3)CC2)c(CS(N)(=O)=O)c1	ZINC000603411092	553781807	/nfs/dbraw/zinc/78/18/07/553781807.db2.gz	JVFCXSYCYLLKSD-UHFFFAOYSA-N	1	0	362.499	1.881	20	30		FDEDRO
C[C@@H](C[NH+]1CCC(C)CC1)Nc1ccc(C#N)cc1CS(N)(=O)=O	ZINC000603411360	553781851	/nfs/dbraw/zinc/78/18/51/553781851.db2.gz	BPQLMRWVGREGCL-AWEZNQCLSA-N	1	0	350.488	1.879	20	30		FDEDRO
COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCc1cccc(C#N)c1	ZINC000603713877	553811563	/nfs/dbraw/zinc/81/15/63/553811563.db2.gz	FGSGSRZHJXHZBP-UHFFFAOYSA-N	1	0	366.421	1.883	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1	ZINC000603848398	553820744	/nfs/dbraw/zinc/82/07/44/553820744.db2.gz	RTOCXBGZHBXTFF-CTNGQTDRSA-N	1	0	373.497	1.679	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](C)C[C@@H]3C)cc2C1=O	ZINC000607515597	554160220	/nfs/dbraw/zinc/16/02/20/554160220.db2.gz	UWJOJPCRLFZVLF-SUMWQHHRSA-N	1	0	355.438	1.881	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)ccc1F	ZINC000609124458	554339998	/nfs/dbraw/zinc/33/99/98/554339998.db2.gz	AHOVNAMTBWLESI-MRXNPFEDSA-N	1	0	374.416	1.349	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CSCC(=O)N2CCCCC2)CC1	ZINC000609266510	554353247	/nfs/dbraw/zinc/35/32/47/554353247.db2.gz	KRNNBWSZXFFDIB-UHFFFAOYSA-N	1	0	353.532	1.889	20	30		FDEDRO
C[C@H](CNC(=O)NC1CCN(CC#N)CC1)[N@@H+]1CCc2ccccc2C1	ZINC000609337737	554368497	/nfs/dbraw/zinc/36/84/97/554368497.db2.gz	FXNJBGQORVRFNY-MRXNPFEDSA-N	1	0	355.486	1.720	20	30		FDEDRO
COc1cccc([C@@H](CNC(=O)NC2CCN(CC#N)CC2)[NH+](C)C)c1	ZINC000609339606	554369227	/nfs/dbraw/zinc/36/92/27/554369227.db2.gz	KDUSPPGEBBQHTG-GOSISDBHSA-N	1	0	359.474	1.585	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNC(=O)CNC(=O)c2ccc(C#N)cc2)CC1	ZINC000609355072	554372041	/nfs/dbraw/zinc/37/20/41/554372041.db2.gz	ZERJQDJNBHDYOG-UHFFFAOYSA-N	1	0	372.469	1.294	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000609448735	554378090	/nfs/dbraw/zinc/37/80/90/554378090.db2.gz	SWIPNADQZZEFNV-HNNXBMFYSA-N	1	0	372.469	1.384	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc3ccccc3n2CC#N)CC1	ZINC000609582970	554397068	/nfs/dbraw/zinc/39/70/68/554397068.db2.gz	QFBICLPYBPEHHH-INIZCTEOSA-N	1	0	353.470	1.921	20	30		FDEDRO
C=CCCCN(C)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-]	ZINC000609914512	554437587	/nfs/dbraw/zinc/43/75/87/554437587.db2.gz	IWSKKRPXIGBQSX-UHFFFAOYSA-N	1	0	370.475	1.837	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)cc1	ZINC000610216720	554475116	/nfs/dbraw/zinc/47/51/16/554475116.db2.gz	JIPYIMBFLNXLCM-RBUKOAKNSA-N	1	0	359.470	1.146	20	30		FDEDRO
C[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cccc(C#N)c1	ZINC000610350676	554494738	/nfs/dbraw/zinc/49/47/38/554494738.db2.gz	VRIABVFXZUDPCW-PBHICJAKSA-N	1	0	357.458	1.506	20	30		FDEDRO
CNS(=O)(=O)c1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1	ZINC000610663713	554546120	/nfs/dbraw/zinc/54/61/20/554546120.db2.gz	XNGKDTRRLRSBME-UHFFFAOYSA-N	1	0	367.475	1.294	20	30		FDEDRO
C[NH+](C)CCOc1cc(C(=O)N(CCC#N)Cc2cccnc2)ccn1	ZINC000611219318	554616488	/nfs/dbraw/zinc/61/64/88/554616488.db2.gz	COZZQUHGZICGRM-UHFFFAOYSA-N	1	0	353.426	1.973	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+](CCCO)C2CC2)CC1	ZINC000611430352	554632795	/nfs/dbraw/zinc/63/27/95/554632795.db2.gz	ZLGRXSGSYIMABL-MRXNPFEDSA-N	1	0	362.499	1.304	20	30		FDEDRO
C[N@@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C[C@@H](O)C1CC1	ZINC000611430258	554632897	/nfs/dbraw/zinc/63/28/97/554632897.db2.gz	VDFFGPXGWQXYTK-HZPDHXFCSA-N	1	0	362.499	1.160	20	30		FDEDRO
Cc1onc(CC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)c1C#N	ZINC000611524263	554641419	/nfs/dbraw/zinc/64/14/19/554641419.db2.gz	PNCQBLXSRPHOIV-UHFFFAOYSA-N	1	0	360.458	1.796	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000611679984	554664690	/nfs/dbraw/zinc/66/46/90/554664690.db2.gz	FUANLYVCTKGZKL-ICSRJNTNSA-N	1	0	359.470	1.211	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	ZINC000612067905	554729728	/nfs/dbraw/zinc/72/97/28/554729728.db2.gz	NLKGZBLVACVIDJ-GOSISDBHSA-N	1	0	365.518	1.856	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](CO)[C@H](C)c2ccccc2)CC1	ZINC000613390782	554920695	/nfs/dbraw/zinc/92/06/95/554920695.db2.gz	YZWHGJLOJWMULP-HOJAQTOUSA-N	1	0	372.513	1.433	20	30		FDEDRO
N#Cc1cc(O)cc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)c1	ZINC000614374560	555044202	/nfs/dbraw/zinc/04/42/02/555044202.db2.gz	UACJGXGOGULZBE-XLIONFOSSA-N	1	0	365.433	1.877	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000614917378	555136985	/nfs/dbraw/zinc/13/69/85/555136985.db2.gz	JIQBDSIWIQQOGJ-SJLPKXTDSA-N	1	0	361.486	1.269	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C[C@H](O)COc1ccc(CC#N)cc1	ZINC000614917371	555136950	/nfs/dbraw/zinc/13/69/50/555136950.db2.gz	JIQBDSIWIQQOGJ-AEFFLSMTSA-N	1	0	361.486	1.269	20	30		FDEDRO
CC(C)CCN(CCC#N)C(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1	ZINC000615261177	555179809	/nfs/dbraw/zinc/17/98/09/555179809.db2.gz	QGLYAPHWERPQPY-UHFFFAOYSA-N	1	0	354.414	1.994	20	30		FDEDRO
C=C[C@@](C)(O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2	ZINC000615354292	555195269	/nfs/dbraw/zinc/19/52/69/555195269.db2.gz	NHEZGYHVHHRHLS-AZUAARDMSA-N	1	0	358.482	1.968	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2nc(C#N)c3ccccc32)C1	ZINC000617431429	555438834	/nfs/dbraw/zinc/43/88/34/555438834.db2.gz	CGRFLMNLVBNORB-HNNXBMFYSA-N	1	0	355.442	1.381	20	30		FDEDRO
C[NH+](C)C1CCN(CCNC(=O)N[C@H]2CCc3cc(C#N)ccc32)CC1	ZINC000618824419	555683274	/nfs/dbraw/zinc/68/32/74/555683274.db2.gz	RKQBTTZHQZEMMW-IBGZPJMESA-N	1	0	355.486	1.871	20	30		FDEDRO
C[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)[C@@H]1CN(C)CCO1	ZINC000618966650	555702265	/nfs/dbraw/zinc/70/22/65/555702265.db2.gz	WDYYPBVJISRWMK-YJBOKZPZSA-N	1	0	354.458	1.667	20	30		FDEDRO
C[C@@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)[C@H]1CN(C)CCO1	ZINC000618966647	555702270	/nfs/dbraw/zinc/70/22/70/555702270.db2.gz	WDYYPBVJISRWMK-CRAIPNDOSA-N	1	0	354.458	1.667	20	30		FDEDRO
C[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)n1cnc(C#N)n1	ZINC000619599708	555806634	/nfs/dbraw/zinc/80/66/34/555806634.db2.gz	YXACMESKFLPJBV-NVXWUHKLSA-N	1	0	368.441	1.118	20	30		FDEDRO
CCCCNC(=O)CN1CC[NH+](CCCC2(C#N)CCOCC2)CC1	ZINC000619620051	555810775	/nfs/dbraw/zinc/81/07/75/555810775.db2.gz	YZGFYNZOZWBETF-UHFFFAOYSA-N	1	0	350.507	1.621	20	30		FDEDRO
C[N@@H+]1CCN(CCNS(=O)(=O)c2cccc(CC#N)c2)CC1(C)C	ZINC000619682300	555821426	/nfs/dbraw/zinc/82/14/26/555821426.db2.gz	BDLQTFPIKIOKAD-UHFFFAOYSA-N	1	0	350.488	1.057	20	30		FDEDRO
N#Cc1nc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)ccc1C(F)(F)F	ZINC000619695400	555822406	/nfs/dbraw/zinc/82/24/06/555822406.db2.gz	IAHJUJAXQVSKNO-UHFFFAOYSA-N	1	0	367.375	1.716	20	30		FDEDRO
Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000619739674	555829643	/nfs/dbraw/zinc/82/96/43/555829643.db2.gz	BVXUWHQOJGKTAL-QGZVFWFLSA-N	1	0	352.442	1.655	20	30		FDEDRO
O=C(NCC#Cc1ccccc1)NC[C@H]1CN(Cc2ccncc2)CCO1	ZINC000623403253	556415321	/nfs/dbraw/zinc/41/53/21/556415321.db2.gz	PCFSHTMDJWLDLD-FQEVSTJZSA-N	1	0	364.449	1.633	20	30		FDEDRO
C=CC[C@H]1CC[N@@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)C1	ZINC000625705201	556907412	/nfs/dbraw/zinc/90/74/12/556907412.db2.gz	SSYSTEOUHRMVSB-KBPBESRZSA-N	1	0	363.483	1.510	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)cc1	ZINC000626849762	557195240	/nfs/dbraw/zinc/19/52/40/557195240.db2.gz	GPRHWBMFVKATIZ-HNNXBMFYSA-N	1	0	371.441	1.333	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cnc(OC)c(OC)c2)CC1	ZINC000627314366	557347708	/nfs/dbraw/zinc/34/77/08/557347708.db2.gz	AMVFNQCOHMGEDP-UHFFFAOYSA-N	1	0	362.430	1.194	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1	ZINC000627434841	557400508	/nfs/dbraw/zinc/40/05/08/557400508.db2.gz	VMLRYVMQRGDUIA-JKSUJKDBSA-N	1	0	351.491	1.450	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N1CCC(CC)([NH+]2CCCC2)CC1	ZINC000632703029	558207494	/nfs/dbraw/zinc/20/74/94/558207494.db2.gz	LXGPHCSBRSJKBF-UHFFFAOYSA-N	1	0	351.491	1.562	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(CCc3cnccn3)CC2)CC1	ZINC000632986872	558237484	/nfs/dbraw/zinc/23/74/84/558237484.db2.gz	OBJDRRXUTUNZKG-UHFFFAOYSA-N	1	0	372.517	1.387	20	30		FDEDRO
C=C(C)Cn1c(COCCOC)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C	ZINC000634383431	558457443	/nfs/dbraw/zinc/45/74/43/558457443.db2.gz	ADUIDRRGVMKXDX-CVEARBPZSA-N	1	0	351.495	1.936	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC([C@@H]3NC(=O)C3(C)C)CC2)CC1	ZINC000636743198	568001204	/nfs/dbraw/zinc/00/12/04/568001204.db2.gz	YIRFCXDVTNHHLU-KRWDZBQOSA-N	1	0	362.518	1.973	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCC(F)(F)C2)CC1	ZINC000330275335	568083039	/nfs/dbraw/zinc/08/30/39/568083039.db2.gz	LIQZXWFWBKPONP-UONOGXRCSA-N	1	0	358.433	1.574	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000636832174	568122583	/nfs/dbraw/zinc/12/25/83/568122583.db2.gz	IYQYBVZPYFFBOP-CVEARBPZSA-N	1	0	351.491	1.199	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1	ZINC000636834087	568124312	/nfs/dbraw/zinc/12/43/12/568124312.db2.gz	SYVSFOONVLZCLK-IRXDYDNUSA-N	1	0	365.518	1.589	20	30		FDEDRO
COCC(COC)N1CCN(c2ncc(Br)cc2C#N)CC1	ZINC000413477646	568403796	/nfs/dbraw/zinc/40/37/96/568403796.db2.gz	NPLRBVLHZZRIEC-UHFFFAOYSA-N	1	0	369.263	1.499	20	30		FDEDRO
C=CC[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccncc1	ZINC000735409804	599100538	/nfs/dbraw/zinc/10/05/38/599100538.db2.gz	LKFUPSAUXQRHHG-IUODEOHRSA-N	1	0	351.418	1.407	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@H](C)Oc1ccc(-c2nn[nH]n2)cc1	ZINC000821182554	607322694	/nfs/dbraw/zinc/32/26/94/607322694.db2.gz	WPHBOWIAEIAZHR-CABCVRRESA-N	1	0	371.441	1.911	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1	ZINC000737717727	598467249	/nfs/dbraw/zinc/46/72/49/598467249.db2.gz	IPJLKZRGAZPXAB-UHFFFAOYSA-N	1	0	360.425	1.892	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1	ZINC000272383787	674437190	/nfs/dbraw/zinc/43/71/90/674437190.db2.gz	CBCJFQGJQGJUQM-RHSMWYFYSA-N	1	0	363.483	1.317	20	30		FDEDRO
C=CCC[C@H](O)C[NH+]1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1	ZINC000273452609	674538993	/nfs/dbraw/zinc/53/89/93/674538993.db2.gz	YHPJDXLGRGOBGS-IRXDYDNUSA-N	1	0	351.878	1.811	20	30		FDEDRO
C=CC[N@@H+](CCCOC(=O)NC(N)=O)Cc1cccc(-c2nn[nH]n2)c1	ZINC000823904261	607958254	/nfs/dbraw/zinc/95/82/54/607958254.db2.gz	YGIJOQUBPQQVNH-UHFFFAOYSA-N	1	0	359.390	1.050	20	30		FDEDRO
COc1ccc(C[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)cc1C#N	ZINC000826192924	608036034	/nfs/dbraw/zinc/03/60/34/608036034.db2.gz	ILXHCEUBVOALQK-UHFFFAOYSA-N	1	0	367.417	1.117	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CNS(=O)(=O)c2cccnc2C#N)cc1	ZINC000276997864	674828357	/nfs/dbraw/zinc/82/83/57/674828357.db2.gz	JIBFVYVMDGWIDH-UHFFFAOYSA-N	1	0	360.439	1.372	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Cc2cc[nH]c(=O)c2Br)CC1	ZINC000278082495	675090660	/nfs/dbraw/zinc/09/06/60/675090660.db2.gz	XHAFKCBZRREESC-UHFFFAOYSA-N	1	0	354.248	1.859	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)C2CC[NH+](C)CC2)cc1	ZINC000068192390	671362158	/nfs/dbraw/zinc/36/21/58/671362158.db2.gz	KYAJVQDGVJVNQM-UHFFFAOYSA-N	1	0	351.472	1.317	20	30		FDEDRO
CN(C)c1ccc(C(N)=[NH+]OCc2ccc(S(=O)(=O)N(C)C)o2)cc1	ZINC000079863017	671452967	/nfs/dbraw/zinc/45/29/67/671452967.db2.gz	KQSFINZQVHJMSQ-UHFFFAOYSA-N	1	0	366.443	1.433	20	30		FDEDRO
C[NH+]=C(NC[C@H](C)N1CCc2sccc2C1)N[C@H]1CCN(C2CC2)C1	ZINC000083093977	671471040	/nfs/dbraw/zinc/47/10/40/671471040.db2.gz	OHCQEVSZDCUTKF-HOCLYGCPSA-N	1	0	361.559	1.896	20	30		FDEDRO
[NH2+]=C(NCCCc1nc2c(s1)CCCC2)NCCCN1CCOCC1	ZINC000104192912	671595071	/nfs/dbraw/zinc/59/50/71/671595071.db2.gz	SOCOYPCKOGUEFA-UHFFFAOYSA-N	1	0	365.547	1.581	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CC2([NH3+])CCC2)c1	ZINC000152240060	671879328	/nfs/dbraw/zinc/87/93/28/671879328.db2.gz	PWHVSRSOWOIRHP-HMMYKYKNSA-N	1	0	364.471	1.709	20	30		FDEDRO
C[NH+]=C(NCC(=O)NCC(F)(F)F)N1CCSC2(CCCCC2)C1	ZINC000153560013	671903867	/nfs/dbraw/zinc/90/38/67/671903867.db2.gz	VIFPZELUGGDJFD-UHFFFAOYSA-N	1	0	366.453	1.992	20	30		FDEDRO
C[NH+](C)C[C@H](NC(=O)NCCn1cnc(C#N)n1)c1ccc(Cl)cc1	ZINC000288020135	675954920	/nfs/dbraw/zinc/95/49/20/675954920.db2.gz	YMUYFOUWUOHXTK-AWEZNQCLSA-N	1	0	361.837	1.405	20	30		FDEDRO
C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000288021934	675955143	/nfs/dbraw/zinc/95/51/43/675955143.db2.gz	CNNQZABMWNFBNE-VIFPVBQESA-N	1	0	358.320	1.462	20	30		FDEDRO
CC(C)N(C)S(=O)(=O)c1ccc(CNC(=[NH2+])NC[C@H]2CCCO2)cc1	ZINC000161548454	672010222	/nfs/dbraw/zinc/01/02/22/672010222.db2.gz	UVZMDCDJTLNJCT-OAHLLOKOSA-N	1	0	368.503	1.299	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@H](O)C2CCCCC2)CC1	ZINC000170906746	672047956	/nfs/dbraw/zinc/04/79/56/672047956.db2.gz	DCTHWCZRZQOTHJ-HNNXBMFYSA-N	1	0	354.495	1.795	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NC[C@@H]3CCC(C)(C)O3)=[NH+]C[C@H]2C1	ZINC000186887094	672276953	/nfs/dbraw/zinc/27/69/53/672276953.db2.gz	GWHCSGDFMQTBSU-KBPBESRZSA-N	1	0	352.479	1.825	20	30		FDEDRO
[NH2+]=C(NCc1ccc(N2CCCS2(=O)=O)c(F)c1)NCC1CCC1	ZINC000187046940	672279254	/nfs/dbraw/zinc/27/92/54/672279254.db2.gz	OWTJMQCVUGNWOO-UHFFFAOYSA-N	1	0	354.451	1.570	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000192579565	672356304	/nfs/dbraw/zinc/35/63/04/672356304.db2.gz	AZDGJBACHUYRDB-KBPBESRZSA-N	1	0	351.472	1.574	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])c1	ZINC000237889049	672430068	/nfs/dbraw/zinc/43/00/68/672430068.db2.gz	OVKKKSABBUZITB-HOCLYGCPSA-N	1	0	351.472	1.398	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1	ZINC000245930766	672474165	/nfs/dbraw/zinc/47/41/65/672474165.db2.gz	UVYSNBHOYNKARS-CJNGLKHVSA-N	1	0	350.488	1.732	20	30		FDEDRO
Cc1sc(NC(=O)CN2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c(C#N)c1C	ZINC000249348446	672557145	/nfs/dbraw/zinc/55/71/45/672557145.db2.gz	JZTOXUZQSCUWGY-GFCCVEGCSA-N	1	0	364.515	1.952	20	30		FDEDRO
C[NH+](C)CCCOc1cnccc1CNS(=O)(=O)CCCCC#N	ZINC000288628494	676031925	/nfs/dbraw/zinc/03/19/25/676031925.db2.gz	NNUNOHRXRRVMBA-UHFFFAOYSA-N	1	0	354.476	1.525	20	30		FDEDRO
CC[C@@H]1CCC[C@@H](NC(NCC2CCN(S(C)(=O)=O)CC2)=[NH+]C)C1	ZINC000261626098	672638661	/nfs/dbraw/zinc/63/86/61/672638661.db2.gz	IPYNUCDLXVYKBY-GDBMZVCRSA-N	1	0	358.552	1.792	20	30		FDEDRO
C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N1CCc2ccccc21	ZINC000261640280	672641360	/nfs/dbraw/zinc/64/13/60/672641360.db2.gz	KWPCNMBQOJIMJC-UHFFFAOYSA-N	1	0	350.488	1.296	20	30		FDEDRO
C[NH+]=C(NCc1cccs1)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1	ZINC000261656816	672644275	/nfs/dbraw/zinc/64/42/75/672644275.db2.gz	AEXLWZCMRNRZND-HNNXBMFYSA-N	1	0	363.531	1.452	20	30		FDEDRO
C[NH+]=C(NC[C@H]1COCCO1)N(C)Cc1cc(Br)cn1C	ZINC000261666605	672646931	/nfs/dbraw/zinc/64/69/31/672646931.db2.gz	BMKVAGYGRBHUJQ-ZDUSSCGKSA-N	1	0	359.268	1.210	20	30		FDEDRO
CCn1cnnc1CNC(=[NH+]C)N(C)Cc1cc(Br)cn1C	ZINC000261676443	672649046	/nfs/dbraw/zinc/64/90/46/672649046.db2.gz	CQMFICWXBPRLPV-UHFFFAOYSA-N	1	0	368.283	1.606	20	30		FDEDRO
C[NH+]=C(NC[C@]1(O)CCSC1)N[C@@H]1CCN(c2cccc(Cl)c2)C1	ZINC000261702471	672654837	/nfs/dbraw/zinc/65/48/37/672654837.db2.gz	JGYJEUNVJXPEGA-RHSMWYFYSA-N	1	0	368.934	1.952	20	30		FDEDRO
C[NH+]=C(NCCS(C)(=O)=O)N[C@H]1CCN(c2cccc(Cl)c2)C1	ZINC000261761441	672666800	/nfs/dbraw/zinc/66/68/00/672666800.db2.gz	OHEDKVJXAOOYNL-ZDUSSCGKSA-N	1	0	358.895	1.128	20	30		FDEDRO
CC[NH+]=C(NCCN1CCCS1(=O)=O)N1CCS[C@H](C(C)C)C1	ZINC000261772265	672669568	/nfs/dbraw/zinc/66/95/68/672669568.db2.gz	OFHZELMWXVQGMK-AWEZNQCLSA-N	1	0	362.565	1.061	20	30		FDEDRO
C[NH+]=C(NCc1sccc1C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1	ZINC000261807362	672675071	/nfs/dbraw/zinc/67/50/71/672675071.db2.gz	SDVDCQFZEFKNPM-KRWDZBQOSA-N	1	0	363.487	1.442	20	30		FDEDRO
C[NH+]=C(NCc1ccc(OC(C)C)nc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261940453	672697794	/nfs/dbraw/zinc/69/77/94/672697794.db2.gz	DLIPKZMVYFCMBP-UHFFFAOYSA-N	1	0	368.503	1.453	20	30		FDEDRO
C[NH+]=C(NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)N1CC[C@@]2(CCOC2)C1	ZINC000261942047	672698140	/nfs/dbraw/zinc/69/81/40/672698140.db2.gz	DRYHYCUETTVKAG-JTDSTZFVSA-N	1	0	352.523	1.562	20	30		FDEDRO
C=CC[NH+]=C(NCc1nnc(C)n1C)N[C@@H]1CCO[C@@]2(CCSC2)C1	ZINC000261962272	672702863	/nfs/dbraw/zinc/70/28/63/672702863.db2.gz	KNJBIMGKUVFLJI-PBHICJAKSA-N	1	0	364.519	1.399	20	30		FDEDRO
C[NH+]=C(NC[C@@H](O)c1ccc(Cl)cc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261998632	672708931	/nfs/dbraw/zinc/70/89/31/672708931.db2.gz	SZGCBGODYZOVQE-CQSZACIVSA-N	1	0	373.906	1.458	20	30		FDEDRO
C[NH+]=C(NCC1(O)CCCC1)N[C@@H]1CCN(c2ncccc2Cl)C1	ZINC000262000679	672709644	/nfs/dbraw/zinc/70/96/44/672709644.db2.gz	UIEUWUDTPARRJC-CYBMUJFWSA-N	1	0	351.882	1.784	20	30		FDEDRO
[NH2+]=C(NC[C@@H]1CCS(=O)(=O)C1)Nc1ccc(OC(F)(F)F)cc1	ZINC000262004554	672710567	/nfs/dbraw/zinc/71/05/67/672710567.db2.gz	RBWUZPHKHMRIPJ-VIFPVBQESA-N	1	0	351.350	1.747	20	30		FDEDRO
C[NH+]=C(NCc1ccc(Br)s1)N1CCO[C@@H](COC)C1	ZINC000262007705	672710933	/nfs/dbraw/zinc/71/09/33/672710933.db2.gz	USLBUNQUJCBCKP-SNVBAGLBSA-N	1	0	362.293	1.933	20	30		FDEDRO
CCS(=O)(=O)CCNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1	ZINC000262015893	672712185	/nfs/dbraw/zinc/71/21/85/672712185.db2.gz	VXYMIRLUVWMJPA-UHFFFAOYSA-N	1	0	358.895	1.211	20	30		FDEDRO
O=S1(=O)CC[C@@H](C[NH+]=C(NCCc2ccccn2)N2CCCCC2)C1	ZINC000262207274	672746785	/nfs/dbraw/zinc/74/67/85/672746785.db2.gz	IGOWVKJLGOJNTH-INIZCTEOSA-N	1	0	364.515	1.490	20	30		FDEDRO
C[NH+]=C(NCC(=O)N(C)C)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1	ZINC000262241549	672752929	/nfs/dbraw/zinc/75/29/29/672752929.db2.gz	ABKCNXNQUUAKIA-NSHDSACASA-N	1	0	355.845	1.311	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@@H]1CCN(c2cccc(Cl)c2)C1)=[NH+]C1CC1	ZINC000262300558	672764995	/nfs/dbraw/zinc/76/49/95/672764995.db2.gz	NREURFZRQRQGTN-OAHLLOKOSA-N	1	0	363.893	1.705	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(NCc2ccccn2)=[NH+]C2CCCC2)C1	ZINC000262329809	672770919	/nfs/dbraw/zinc/77/09/19/672770919.db2.gz	ARVLWLOJMKLRPQ-CQSZACIVSA-N	1	0	350.488	1.494	20	30		FDEDRO
C[NH+]=C(NC[C@@]1(O)CCSC1)N1CCN(c2cccc(Cl)c2)CC1	ZINC000262333383	672772091	/nfs/dbraw/zinc/77/20/91/672772091.db2.gz	BIWRNFZHXLORMX-KRWDZBQOSA-N	1	0	368.934	1.905	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N(C)Cc1nc2c(s1)CCCC2	ZINC000262368967	672777691	/nfs/dbraw/zinc/77/76/91/672777691.db2.gz	IFEMKWHPEFBSNM-LBPRGKRZSA-N	1	0	370.544	1.464	20	30		FDEDRO
CC(C)[C@@H]1C[C@H](NC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)CCO1	ZINC000262369445	672778083	/nfs/dbraw/zinc/77/80/83/672778083.db2.gz	IHVFFBQTGKWVFH-IMJJTQAJSA-N	1	0	357.520	1.322	20	30		FDEDRO
CC[C@]1(C)CCN(C(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C[C@@H]2CCOC2)C1	ZINC000262376363	672779073	/nfs/dbraw/zinc/77/90/73/672779073.db2.gz	JOZOMYYLVORZTQ-LZLYRXPVSA-N	1	0	371.547	1.525	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C)C12CCCCC2	ZINC000262413109	672785580	/nfs/dbraw/zinc/78/55/80/672785580.db2.gz	PQFJPNILMXYUCF-OWCLPIDISA-N	1	0	371.547	1.714	20	30		FDEDRO
CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCOC2(CCCC2)C1	ZINC000262437246	672789456	/nfs/dbraw/zinc/78/94/56/672789456.db2.gz	UCEDNMWIOXBNKI-JKSUJKDBSA-N	1	0	371.547	1.858	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCC[C@]2(CCCOC2)C1	ZINC000262452212	672791887	/nfs/dbraw/zinc/79/18/87/672791887.db2.gz	WEEVPJCAJZWHGU-WMZOPIPTSA-N	1	0	371.547	1.668	20	30		FDEDRO
CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21	ZINC000262454718	672792716	/nfs/dbraw/zinc/79/27/16/672792716.db2.gz	WOXJYEUHBIUZNZ-NWANDNLSSA-N	1	0	366.487	1.132	20	30		FDEDRO
CC[C@H](C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCC2(C1)CCOCC2	ZINC000262457499	672793025	/nfs/dbraw/zinc/79/30/25/672793025.db2.gz	WXXAPUDUHSWPFU-JKSUJKDBSA-N	1	0	371.547	1.668	20	30		FDEDRO
C=C(C)CNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CCS[C@H](CC)C1	ZINC000262470611	672795172	/nfs/dbraw/zinc/79/51/72/672795172.db2.gz	YXNGDCBUEROHJM-LSDHHAIUSA-N	1	0	359.561	1.770	20	30		FDEDRO
C[C@@H](NC(=[NH2+])NCCN1C(=O)CNC1=O)c1ccc(Cl)cc1Cl	ZINC000262552008	672806123	/nfs/dbraw/zinc/80/61/23/672806123.db2.gz	YXTISDPNIVDNDT-MRVPVSSYSA-N	1	0	358.229	1.511	20	30		FDEDRO
C[NH+]=C(NCCN1CCc2sccc2C1)N1CCC(C(=O)OC)CC1	ZINC000262575583	672809648	/nfs/dbraw/zinc/80/96/48/672809648.db2.gz	OFTHUWGIIJMYNH-UHFFFAOYSA-N	1	0	364.515	1.567	20	30		FDEDRO
C[NH+]=C(NCC1CCCCC1)NC[C@]1(N2CCOCC2)CCSC1	ZINC000262596963	672813928	/nfs/dbraw/zinc/81/39/28/672813928.db2.gz	XFMYCBMMELCWDU-GOSISDBHSA-N	1	0	354.564	1.940	20	30		FDEDRO
CN(C)C(NCc1ccccc1)=[NH+]C[C@@H]1CCCC[C@@H]1NS(C)(=O)=O	ZINC000262631557	672821577	/nfs/dbraw/zinc/82/15/77/672821577.db2.gz	FVWGMNNRSCVMDM-IRXDYDNUSA-N	1	0	366.531	1.802	20	30		FDEDRO
CS(=O)(=O)C1(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)CCCC1	ZINC000262642022	672824126	/nfs/dbraw/zinc/82/41/26/672824126.db2.gz	IAPPSNDBFKOTPS-AWEZNQCLSA-N	1	0	351.472	1.772	20	30		FDEDRO
CSc1cccc(F)c1CNC(=[NH2+])N1CCN(c2ncccn2)CC1	ZINC000262660320	672826536	/nfs/dbraw/zinc/82/65/36/672826536.db2.gz	MUDJOMVPKVLUHG-UHFFFAOYSA-N	1	0	360.462	1.975	20	30		FDEDRO
CS(=O)(=O)N1CCCC[C@@H]1CNC(=[NH2+])Nc1ccc2c(c1)CCC2	ZINC000262664834	672827867	/nfs/dbraw/zinc/82/78/67/672827867.db2.gz	OGQYHMBUOOTLNY-MRXNPFEDSA-N	1	0	350.488	1.716	20	30		FDEDRO
C#CCSCCNC(=[NH+]CC)N1CCS(=O)(=O)C2(CCCCC2)C1	ZINC000262673131	672828339	/nfs/dbraw/zinc/82/83/39/672828339.db2.gz	QBEZUQPTYNRFMH-UHFFFAOYSA-N	1	0	371.572	1.752	20	30		FDEDRO
C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNC3=[NH+]CCN3C)cc2)C1	ZINC000262674132	672828853	/nfs/dbraw/zinc/82/88/53/672828853.db2.gz	SJYJIPWPZUHBIL-CQSZACIVSA-N	1	0	350.488	1.498	20	30		FDEDRO
CC[NH+]=C(NC[C@@](C)(O)CC)N1CCS(=O)(=O)C2(CCCCC2)C1	ZINC000262770493	672846426	/nfs/dbraw/zinc/84/64/26/672846426.db2.gz	HMNIOQJOZBOEGC-INIZCTEOSA-N	1	0	359.536	1.546	20	30		FDEDRO
C[NH+]=C(NCc1cccn1C)N1CCS(=O)(=O)C2(CCCCC2)C1	ZINC000262772512	672846871	/nfs/dbraw/zinc/84/68/71/672846871.db2.gz	ICKVINAJDLHAAF-UHFFFAOYSA-N	1	0	352.504	1.534	20	30		FDEDRO
[NH2+]=C(NC[C@@H]1CSc2ccccc21)N1CCN(c2ncccn2)CC1	ZINC000263168764	672864959	/nfs/dbraw/zinc/86/49/59/672864959.db2.gz	RPZWDCFHKWPEMM-CQSZACIVSA-N	1	0	354.483	1.803	20	30		FDEDRO
CN1CCC[NH+]=C1NCCOc1ccc(I)cc1	ZINC000263198105	672866359	/nfs/dbraw/zinc/86/63/59/672866359.db2.gz	WUCKQKYTXGAVKF-UHFFFAOYSA-N	1	0	359.211	1.951	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1	ZINC000264501634	672914642	/nfs/dbraw/zinc/91/46/42/672914642.db2.gz	QNFWVRSVHWXLGU-UHFFFAOYSA-N	1	0	351.472	1.317	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[N@@H+](CC)CC2)ccc1F	ZINC000264611864	672918908	/nfs/dbraw/zinc/91/89/08/672918908.db2.gz	IHHPNBOSNXFELS-UHFFFAOYSA-N	1	0	369.462	1.458	20	30		FDEDRO
[NH2+]=C(NCCC(=O)N1CCOCC1)NCc1cccc(C(F)(F)F)c1	ZINC000266978884	673227468	/nfs/dbraw/zinc/22/74/68/673227468.db2.gz	LGTXYPRWNSGCMR-UHFFFAOYSA-N	1	0	358.364	1.359	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)C[C@H](C)C(=O)NC)c(OC)c1	ZINC000267046400	673239932	/nfs/dbraw/zinc/23/99/32/673239932.db2.gz	FBRGQRXRYXBRBS-HOCLYGCPSA-N	1	0	350.459	1.477	20	30		FDEDRO
C#CCOc1ccc(C[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1	ZINC000289369481	676125949	/nfs/dbraw/zinc/12/59/49/676125949.db2.gz	LHUUXXZFAWKQAR-KRWDZBQOSA-N	1	0	350.484	1.802	20	30		FDEDRO
CS(=O)(=O)CC1(CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)CC1	ZINC000267760786	673323571	/nfs/dbraw/zinc/32/35/71/673323571.db2.gz	YUNMWFMYHLRIOY-UHFFFAOYSA-N	1	0	363.405	1.935	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cncc(C#N)c2)[C@H](C)C1	ZINC000289466822	676140677	/nfs/dbraw/zinc/14/06/77/676140677.db2.gz	MRGVGGAUQJMIEK-PBHICJAKSA-N	1	0	366.487	1.369	20	30		FDEDRO
CN(CCC[NH+]1CCCC1)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000281707948	675548400	/nfs/dbraw/zinc/54/84/00/675548400.db2.gz	MPUWBCDIVAHUOJ-UHFFFAOYSA-N	1	0	363.483	1.417	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000281813963	675563563	/nfs/dbraw/zinc/56/35/63/675563563.db2.gz	SAJNJUUHRHWBEX-RDJZCZTQSA-N	1	0	350.488	1.529	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@H](CO)[C@@H]1CCOC1)C(C)C	ZINC000281896220	675574599	/nfs/dbraw/zinc/57/45/99/675574599.db2.gz	FAJGXURDDPGIFJ-FGTMMUONSA-N	1	0	353.507	1.629	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](C)C)c(F)c1	ZINC000282802169	675641644	/nfs/dbraw/zinc/64/16/44/675641644.db2.gz	HEIOFIKHKYDZOL-CYBMUJFWSA-N	1	0	351.397	1.977	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@H](COC)C1)C(C)C	ZINC000283660179	675660074	/nfs/dbraw/zinc/66/00/74/675660074.db2.gz	BMFQEUXXLFJOCN-DLBZAZTESA-N	1	0	351.491	1.296	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCC2(S(C)(=O)=O)CCCC2)cc1OC	ZINC000284972974	675774300	/nfs/dbraw/zinc/77/43/00/675774300.db2.gz	GGYVURIEGBWUEM-UHFFFAOYSA-N	1	0	369.487	1.466	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNCc1nccn1S(=O)(=O)N(C)C)C(C)C	ZINC000290795738	676232821	/nfs/dbraw/zinc/23/28/21/676232821.db2.gz	DQEKKMXBLJXADL-MRXNPFEDSA-N	1	0	369.535	1.326	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)ccc1F	ZINC000292143317	676286306	/nfs/dbraw/zinc/28/63/06/676286306.db2.gz	UMJJIHCUNQUEDD-CYBMUJFWSA-N	1	0	371.478	1.749	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2c(I)cnn2C)CC1	ZINC000292658285	676303810	/nfs/dbraw/zinc/30/38/10/676303810.db2.gz	FGEJIZWXBIUSSI-UHFFFAOYSA-N	1	0	374.226	1.405	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N(C)Cc2ccccc2S(N)(=O)=O)CC1	ZINC000292728899	676307951	/nfs/dbraw/zinc/30/79/51/676307951.db2.gz	PYUCOFORHTYJQA-UHFFFAOYSA-N	1	0	366.487	1.126	20	30		FDEDRO
Cc1sccc1/C=c1\sc(=C(C#N)C#N)n(C2CC[NH+](C)CC2)c1=O	ZINC000297713802	676428431	/nfs/dbraw/zinc/42/84/31/676428431.db2.gz	GGDYVBYIVBOIBE-SXGWCWSVSA-N	1	0	370.503	1.573	20	30		FDEDRO
CC[C@@H](CNC(NCCN1CCOCC1)=[NH+]C)Oc1ccccc1Cl	ZINC000304725742	676544095	/nfs/dbraw/zinc/54/40/95/676544095.db2.gz	PRLZJEREYGUMIJ-HNNXBMFYSA-N	1	0	368.909	1.995	20	30		FDEDRO
CC(C)(C)OC(=O)CCNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1	ZINC000304748327	676544332	/nfs/dbraw/zinc/54/43/32/676544332.db2.gz	HCDSGNJNALGYGN-UHFFFAOYSA-N	1	0	350.438	1.994	20	30		FDEDRO
CC(C)CCC[C@H](C)NC(=[NH2+])NCCNS(=O)(=O)Cc1ccon1	ZINC000304793525	676544531	/nfs/dbraw/zinc/54/45/31/676544531.db2.gz	LPEUQQRSNRPLMK-ZDUSSCGKSA-N	1	0	359.496	1.213	20	30		FDEDRO
CCc1ccc(NC(=[NH2+])NCCNS(=O)(=O)Cc2ccon2)cc1	ZINC000304805742	676544850	/nfs/dbraw/zinc/54/48/50/676544850.db2.gz	RNDLANOWTZGQTE-UHFFFAOYSA-N	1	0	351.432	1.083	20	30		FDEDRO
C#CCN(C)CCC[NH2+]C[C@@H](O)COc1cccc(Br)c1	ZINC000328220554	676598093	/nfs/dbraw/zinc/59/80/93/676598093.db2.gz	ZSOSLWCTCIMPDN-OAHLLOKOSA-N	1	0	355.276	1.734	20	30		FDEDRO
C[C@H](CNC(=O)N[C@H]1CCCC12CCOCC2)C[NH+]1CCN(C)CC1	ZINC000328644215	676600429	/nfs/dbraw/zinc/60/04/29/676600429.db2.gz	AMTJVXZGZRVTEO-SJORKVTESA-N	1	0	352.523	1.723	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@H]3CC[C@H](O)CC3)CC2)CC1	ZINC000328662524	676601391	/nfs/dbraw/zinc/60/13/91/676601391.db2.gz	AQJGFUXICDSSPX-SAABIXHNSA-N	1	0	352.523	1.694	20	30		FDEDRO
CC(C)CC[NH+]1CCC(CNC(=O)N2CCN(C3CC3)C(=O)C2)CC1	ZINC000328692320	676602628	/nfs/dbraw/zinc/60/26/28/676602628.db2.gz	FGCZFNVDFQEXBP-UHFFFAOYSA-N	1	0	350.507	1.965	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)CC1	ZINC000328719211	676603981	/nfs/dbraw/zinc/60/39/81/676603981.db2.gz	QCEDPFMJNVUORE-UHFFFAOYSA-N	1	0	372.535	1.275	20	30		FDEDRO
C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+]2CCC[C@H]2C1	ZINC000328721935	676604113	/nfs/dbraw/zinc/60/41/13/676604113.db2.gz	XELWCRVSGPYBDD-GJZGRUSLSA-N	1	0	365.503	1.041	20	30		FDEDRO
NC(=O)[C@@H]1CC[C@H](CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)O1	ZINC000328743743	676604913	/nfs/dbraw/zinc/60/49/13/676604913.db2.gz	ONNAQZKPYRYLOB-KFWWJZLASA-N	1	0	354.451	1.027	20	30		FDEDRO
O=C(N[C@@H]1CCO[C@@H]1C1CC1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000328857331	676609807	/nfs/dbraw/zinc/60/98/07/676609807.db2.gz	XUTSQEYBIAZYKV-ZJPYXAASSA-N	1	0	351.491	1.825	20	30		FDEDRO
O=C(CCN1CCCS1(=O)=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000328924732	676612395	/nfs/dbraw/zinc/61/23/95/676612395.db2.gz	DNQOBIQXSGLPDD-CVEARBPZSA-N	1	0	373.519	1.136	20	30		FDEDRO
O=C(CN1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)NC1CC[NH+](C2CC2)CC1	ZINC000328953697	676613543	/nfs/dbraw/zinc/61/35/43/676613543.db2.gz	IHEGYXIKBZHBLP-RCCFBDPRSA-N	1	0	351.491	1.432	20	30		FDEDRO
CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1	ZINC000329037811	676616951	/nfs/dbraw/zinc/61/69/51/676616951.db2.gz	NIJVXHSVDVWJBT-NRSFXHEJSA-N	1	0	351.491	1.901	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)[N@H+](C)C1	ZINC000329068741	676618065	/nfs/dbraw/zinc/61/80/65/676618065.db2.gz	XSDZNJXLQDUAQX-HOTGVXAUSA-N	1	0	367.471	1.402	20	30		FDEDRO
O=C(NC1CC[NH+](CC2CC2)CC1)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O	ZINC000329075762	676618562	/nfs/dbraw/zinc/61/85/62/676618562.db2.gz	BXUBFCPJWIZPBE-KSZLIROESA-N	1	0	351.491	1.637	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)Nc2ccc(C)c(S(=O)(=O)NC3CC3)c2)N(C)C1	ZINC000329130197	676621574	/nfs/dbraw/zinc/62/15/74/676621574.db2.gz	OFRCEAYIZXWSGI-GJZGRUSLSA-N	1	0	367.471	1.743	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)C1	ZINC000329131424	676621934	/nfs/dbraw/zinc/62/19/34/676621934.db2.gz	OVDHBQNQOCEMGV-XMTFNYHQSA-N	1	0	353.507	1.883	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)CC1	ZINC000329137982	676622088	/nfs/dbraw/zinc/62/20/88/676622088.db2.gz	HWMWFQJZMIMNFO-CRAIPNDOSA-N	1	0	355.479	1.063	20	30		FDEDRO
C[C@H](C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1)[N@H+]1[C@H](C)CC[C@@H]1C	ZINC000329156266	676622931	/nfs/dbraw/zinc/62/29/31/676622931.db2.gz	CPRLXBFYNQIAKR-JYYAWHABSA-N	1	0	350.507	1.899	20	30		FDEDRO
C[N@H+](CCNC(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1)C1CCCC1	ZINC000329223149	676626369	/nfs/dbraw/zinc/62/63/69/676626369.db2.gz	XNRGIGUWUOBQKH-RHSMWYFYSA-N	1	0	373.519	1.101	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](C(=O)N2CCCC2)C1	ZINC000329234837	676627309	/nfs/dbraw/zinc/62/73/09/676627309.db2.gz	MZTCVLYRIGRJKK-DLBZAZTESA-N	1	0	350.507	1.965	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3nc(CN4CCOCC4)cs3)[C@@H]2C1	ZINC000329240133	676627738	/nfs/dbraw/zinc/62/77/38/676627738.db2.gz	MLIICUPMDVYIBR-DZGCQCFKSA-N	1	0	365.503	1.547	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3nc(CN4CCOCC4)cs3)[C@@H]2C1	ZINC000329240136	676627916	/nfs/dbraw/zinc/62/79/16/676627916.db2.gz	MLIICUPMDVYIBR-UKRRQHHQSA-N	1	0	365.503	1.547	20	30		FDEDRO
Cc1nc([C@H]2CN(C(=O)NCC3([NH+](C)C)CCCCC3)CCO2)no1	ZINC000329266982	676629504	/nfs/dbraw/zinc/62/95/04/676629504.db2.gz	CZOIAFVOGAACJU-CQSZACIVSA-N	1	0	351.451	1.930	20	30		FDEDRO
C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCS(=O)(=O)C2)C1	ZINC000329286313	676630902	/nfs/dbraw/zinc/63/09/02/676630902.db2.gz	PEIXTAMGZIIUSF-CABCVRRESA-N	1	0	359.536	1.825	20	30		FDEDRO
C[C@H](NC(=O)CN1CC[C@H]([NH+]2CCCCC2)C1)C(=O)N1CCCCC1	ZINC000329288563	676631109	/nfs/dbraw/zinc/63/11/09/676631109.db2.gz	MRZXXNVFOVWXLX-IRXDYDNUSA-N	1	0	350.507	1.904	20	30		FDEDRO
O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1csc(NC2CC2)n1	ZINC000329478033	676640570	/nfs/dbraw/zinc/64/05/70/676640570.db2.gz	QAHKCEYBAGMJCD-GFCCVEGCSA-N	1	0	350.488	2.523	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1CNC(=O)CN(C)S(=O)(=O)c1cccnc1	ZINC000329516660	676642314	/nfs/dbraw/zinc/64/23/14/676642314.db2.gz	YVOJOABIVTXNNS-CQSZACIVSA-N	1	0	354.476	1.533	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3nc4c(s3)COCC4)C2)CC1	ZINC000329558409	676643998	/nfs/dbraw/zinc/64/39/98/676643998.db2.gz	LKUXMQHGFLPWNP-ZDUSSCGKSA-N	1	0	365.503	1.473	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)NC[C@@H]2CN(C)CCO2)c2ccsc2S1(=O)=O	ZINC000329663615	676648272	/nfs/dbraw/zinc/64/82/72/676648272.db2.gz	PGIUNVQDDYBTDF-LOWVWBTDSA-N	1	0	373.500	1.189	20	30		FDEDRO
O=C(NCCN1CCNC(=O)C1)NC1CC[NH+](C2CCCCC2)CC1	ZINC000329692323	676649864	/nfs/dbraw/zinc/64/98/64/676649864.db2.gz	CDRUIRLISDBFRR-UHFFFAOYSA-N	1	0	351.495	1.559	20	30		FDEDRO
C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1	ZINC000329695558	676649885	/nfs/dbraw/zinc/64/98/85/676649885.db2.gz	DCBGOYIIKMSHNZ-FMKPAKJESA-N	1	0	372.535	1.129	20	30		FDEDRO
CC[C@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)C[C@H]1N1CCOCC1	ZINC000329727085	676651919	/nfs/dbraw/zinc/65/19/19/676651919.db2.gz	CHVPCDDBCQASNB-JKSUJKDBSA-N	1	0	355.504	1.443	20	30		FDEDRO
CC[C@@H]1CN(C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)CC[N@@H+]1C[C@@H](C)O	ZINC000329728388	676652077	/nfs/dbraw/zinc/65/20/77/676652077.db2.gz	FNZGKCFDACHEOQ-YFHUEUNASA-N	1	0	371.547	1.732	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)NCc3sc(C)nc3C)C2)CC1	ZINC000329786767	676656148	/nfs/dbraw/zinc/65/61/48/676656148.db2.gz	YCCSGVRKXFPEBC-OAHLLOKOSA-N	1	0	351.520	1.886	20	30		FDEDRO
C[NH+]1CCC(O)(CNC(=O)[C@H]2CSCN2C(=O)C2CCCC2)CC1	ZINC000329793881	676656798	/nfs/dbraw/zinc/65/67/98/676656798.db2.gz	BMNWSOQKVLOFSE-CQSZACIVSA-N	1	0	355.504	1.491	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CS(=O)(=O)NC1CCC(C)CC1	ZINC000329805606	676657811	/nfs/dbraw/zinc/65/78/11/676657811.db2.gz	NEGFFPUAZPFJLK-YWIABWOTSA-N	1	0	357.520	1.924	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cn(C)nc2[C@@H]2CCOC2)C1	ZINC000329813528	676658544	/nfs/dbraw/zinc/65/85/44/676658544.db2.gz	CUXNAJWUVMPWMS-HUUCEWRRSA-N	1	0	350.463	1.585	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O	ZINC000329856425	676661089	/nfs/dbraw/zinc/66/10/89/676661089.db2.gz	USWOUPIRZHQAOE-ZDUSSCGKSA-N	1	0	367.471	1.565	20	30		FDEDRO
CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)C(=O)NC[C@H]1COCCO1	ZINC000329951939	676665317	/nfs/dbraw/zinc/66/53/17/676665317.db2.gz	MYOUMTGNIVOLTF-KKUMJFAQSA-N	1	0	371.478	1.922	20	30		FDEDRO
C[C@@H](C(=O)NCC1CC[NH+](C2CC2)CC1)S(=O)(=O)C1CCOCC1	ZINC000329965022	676665840	/nfs/dbraw/zinc/66/58/40/676665840.db2.gz	UEYCKHPPVOVFFT-ZDUSSCGKSA-N	1	0	358.504	1.800	20	30		FDEDRO
C[NH+]1CCC(O)(CNC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1	ZINC000330035078	676669518	/nfs/dbraw/zinc/66/95/18/676669518.db2.gz	XAEPZBJWDDWKEQ-OAHLLOKOSA-N	1	0	352.479	1.327	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC(=O)N(CC(F)(F)F)C1	ZINC000330115236	676673581	/nfs/dbraw/zinc/67/35/81/676673581.db2.gz	FMNDCEZQDLGFQS-VXGBXAGGSA-N	1	0	350.385	1.685	20	30		FDEDRO
Cc1nnsc1CNC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1	ZINC000330269549	676682206	/nfs/dbraw/zinc/68/22/06/676682206.db2.gz	SBPUKJVCWSJDRX-UHFFFAOYSA-N	1	0	366.535	1.751	20	30		FDEDRO
CNC(=O)[C@]1(C)CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1	ZINC000330280701	676682849	/nfs/dbraw/zinc/68/28/49/676682849.db2.gz	SVERBBOFLXINGO-QGZVFWFLSA-N	1	0	352.479	1.844	20	30		FDEDRO
CNC(=O)[C@]1(C)CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1	ZINC000330284108	676683087	/nfs/dbraw/zinc/68/30/87/676683087.db2.gz	XBFANAHOBFZOJI-KBXCAEBGSA-N	1	0	352.479	1.700	20	30		FDEDRO
CN(C)C(=O)Nc1ccc(Cl)c(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1	ZINC000330385849	676687826	/nfs/dbraw/zinc/68/78/26/676687826.db2.gz	UFLPCEYWUQTSCY-CYBMUJFWSA-N	1	0	367.881	1.998	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O	ZINC000330593125	676697409	/nfs/dbraw/zinc/69/74/09/676697409.db2.gz	WGIPJCILJOXHSF-LMCLKVLCSA-N	1	0	351.491	1.681	20	30		FDEDRO
CCCC[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)CC1	ZINC000330690283	676700794	/nfs/dbraw/zinc/70/07/94/676700794.db2.gz	APDDXYGYWIUYRF-HZPDHXFCSA-N	1	0	374.551	1.615	20	30		FDEDRO
CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccccc1S(=O)(=O)N(C)C	ZINC000330757404	676703116	/nfs/dbraw/zinc/70/31/16/676703116.db2.gz	KZDRIUFAHQPQKM-HNNXBMFYSA-N	1	0	368.503	1.754	20	30		FDEDRO
CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC	ZINC000330899469	676708841	/nfs/dbraw/zinc/70/88/41/676708841.db2.gz	JCDBRJOEFFFZOY-WCQYABFASA-N	1	0	355.460	1.391	20	30		FDEDRO
COc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1S(=O)(=O)N(C)C	ZINC000330911859	676709860	/nfs/dbraw/zinc/70/98/60/676709860.db2.gz	QMLYCSSAZUNQOL-TZMCWYRMSA-N	1	0	369.487	1.733	20	30		FDEDRO
C[C@@H]1CN(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)C[C@@H](CO)O1	ZINC000330954897	676711054	/nfs/dbraw/zinc/71/10/54/676711054.db2.gz	GWSZDHSTQJICIU-RISCZKNCSA-N	1	0	350.419	1.259	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)CNC(=O)c2c(F)cccc2Cl)C[C@H]1C	ZINC000330988604	676713013	/nfs/dbraw/zinc/71/30/13/676713013.db2.gz	RSUCHJXKARZBNI-NEPJUHHUSA-N	1	0	371.840	1.697	20	30		FDEDRO
CO[C@@H](C)c1nc(CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)cs1	ZINC000330993809	676713162	/nfs/dbraw/zinc/71/31/62/676713162.db2.gz	SWJLVPRPJTWMSX-LBPRGKRZSA-N	1	0	356.492	1.653	20	30		FDEDRO
CSC1(CNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CCOCC1	ZINC000331153429	676718908	/nfs/dbraw/zinc/71/89/08/676718908.db2.gz	CLAXAGUORNKVCT-CQSZACIVSA-N	1	0	359.536	1.590	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(S(=O)(=O)NC)cn2)C[C@H]1C	ZINC000331152263	676718932	/nfs/dbraw/zinc/71/89/32/676718932.db2.gz	IFMWGNVIGGQEPX-CHWSQXEVSA-N	1	0	369.491	1.340	20	30		FDEDRO
C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)C1	ZINC000331155553	676719085	/nfs/dbraw/zinc/71/90/85/676719085.db2.gz	JBZXKWWXMFKWMS-GFCCVEGCSA-N	1	0	357.451	1.799	20	30		FDEDRO
C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N(C)C)cn1)C(C)(C)C[NH+](C)C	ZINC000331211874	676722217	/nfs/dbraw/zinc/72/22/17/676722217.db2.gz	ZGOUVRLUALWRTH-LBPRGKRZSA-N	1	0	371.507	1.634	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)Nc2nnc(C(F)(F)F)s2)CC1(C)C	ZINC000331263018	676724852	/nfs/dbraw/zinc/72/48/52/676724852.db2.gz	FDUKGADPWBUIRL-UHFFFAOYSA-N	1	0	366.413	1.909	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](CNC(=O)NC2CCN(S(=O)(=O)C(C)C)CC2)C1	ZINC000331298849	676726315	/nfs/dbraw/zinc/72/63/15/676726315.db2.gz	UAMIQFWVXGDAPW-OAHLLOKOSA-N	1	0	374.551	1.425	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCCC[C@H]2C[C@H](C)O)CC1	ZINC000331301100	676726380	/nfs/dbraw/zinc/72/63/80/676726380.db2.gz	BYCZMRVJUIFTNE-OKZBNKHCSA-N	1	0	350.507	1.304	20	30		FDEDRO
CC[C@H]1CN(C(=O)Nc2cn(C)nc2C(F)(F)F)CC[N@@H+]1C[C@H](C)O	ZINC000331320973	676727375	/nfs/dbraw/zinc/72/73/75/676727375.db2.gz	JQTJXKWOEBIRTG-QWRGUYRKSA-N	1	0	363.384	1.761	20	30		FDEDRO
Cc1cc(S(N)(=O)=O)ccc1CNC(=O)N1CCC([NH2+]C(C)C)CC1	ZINC000331340130	676728258	/nfs/dbraw/zinc/72/82/58/676728258.db2.gz	MRRNTSXWOAVLKT-UHFFFAOYSA-N	1	0	368.503	1.519	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(OC(F)F)cn2)C[C@@H]1C	ZINC000331347589	676728354	/nfs/dbraw/zinc/72/83/54/676728354.db2.gz	SENHNGJNBRHVGM-RYUDHWBXSA-N	1	0	358.389	1.484	20	30		FDEDRO
CO[C@@]1(C)CCC[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1	ZINC000332349493	676740606	/nfs/dbraw/zinc/74/06/06/676740606.db2.gz	VEOUREWHDWJELY-MJGOQNOKSA-N	1	0	350.507	1.570	20	30		FDEDRO
CC[C@H](CNS(=O)(=O)N(C)C[C@@H](C)C#N)[N@@H+]1CCc2ccccc2C1	ZINC000332665045	676743605	/nfs/dbraw/zinc/74/36/05/676743605.db2.gz	FIPTVDAEYODRPR-MAUKXSAKSA-N	1	0	364.515	1.749	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1	ZINC000332685768	676744249	/nfs/dbraw/zinc/74/42/49/676744249.db2.gz	IZPNDMOZNJGLHO-JKSUJKDBSA-N	1	0	364.515	1.749	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1Cl	ZINC000362931261	676927528	/nfs/dbraw/zinc/92/75/28/676927528.db2.gz	JATWIDRNRJHQGH-KBPBESRZSA-N	1	0	362.817	1.130	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3)C2)CC1	ZINC000363920313	676978810	/nfs/dbraw/zinc/97/88/10/676978810.db2.gz	LQZUCMFTTSBLRG-QGZVFWFLSA-N	1	0	362.499	1.347	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)CN[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C	ZINC000364342206	677009117	/nfs/dbraw/zinc/00/91/17/677009117.db2.gz	MAJVWRLIADTMBN-ZJPYXAASSA-N	1	0	350.507	1.474	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC(OC[C@H]3CCOC3)CC2)CC1	ZINC000364641104	677037894	/nfs/dbraw/zinc/03/78/94/677037894.db2.gz	CMZBGHOUXOPOGJ-INIZCTEOSA-N	1	0	351.491	1.864	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@H](CO)OC(C)(C)C1)C(C)C	ZINC000422168625	680696082	/nfs/dbraw/zinc/69/60/82/680696082.db2.gz	KORHAEQSNFSTOX-IAGOWNOFSA-N	1	0	353.507	1.866	20	30		FDEDRO
C=CCNc1ncc(C(=O)N2CCC[N@@H+](C3CCOCC3)CC2)s1	ZINC000366594223	677453768	/nfs/dbraw/zinc/45/37/68/677453768.db2.gz	XCGNNLAOBCLSDY-UHFFFAOYSA-N	1	0	350.488	2.068	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1c2ccccc2CC[C@@H]1[NH+](C)C	ZINC000367124654	677488270	/nfs/dbraw/zinc/48/82/70/677488270.db2.gz	JVYSFWHUYBVLKK-XOKHGSTOSA-N	1	0	350.488	1.530	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)NCC1([NH+]2CCN(C)CC2)CCCCCC1	ZINC000368302894	677499300	/nfs/dbraw/zinc/49/93/00/677499300.db2.gz	ZQELPERQFXYDMP-QGZVFWFLSA-N	1	0	352.523	1.563	20	30		FDEDRO
N#Cc1ccsc1NC(=O)CCN1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO	ZINC000370352801	677568216	/nfs/dbraw/zinc/56/82/16/677568216.db2.gz	DVBNCZPZLBICJS-HZPDHXFCSA-N	1	0	362.499	1.869	20	30		FDEDRO
Cn1cc(C[N@@H+]2CCC[C@H](c3n[nH]cc3NS(C)(=O)=O)C2)cc1C#N	ZINC000370622458	677599094	/nfs/dbraw/zinc/59/90/94/677599094.db2.gz	OACJMAGWERDRAH-ZDUSSCGKSA-N	1	0	362.459	1.371	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1	ZINC000374462720	678083196	/nfs/dbraw/zinc/08/31/96/678083196.db2.gz	OBAVAXCIGFELNM-AEFFLSMTSA-N	1	0	364.515	1.919	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N(C)C1CCN(c2cc[nH+]cc2)CC1	ZINC000374541687	678086467	/nfs/dbraw/zinc/08/64/67/678086467.db2.gz	AYPOJTKIJQDUPO-CQSZACIVSA-N	1	0	351.476	1.461	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NC1CC[NH+](Cc2cccs2)CC1	ZINC000374548924	678086867	/nfs/dbraw/zinc/08/68/67/678086867.db2.gz	JGTQAASJEWDKJK-ZDUSSCGKSA-N	1	0	356.517	1.781	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)cc1	ZINC000375050578	678093652	/nfs/dbraw/zinc/09/36/52/678093652.db2.gz	RWJNUORVLKTNGG-RHSMWYFYSA-N	1	0	363.483	1.317	20	30		FDEDRO
C=CCC[C@H](O)C[NH+]1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000377544512	678558746	/nfs/dbraw/zinc/55/87/46/678558746.db2.gz	QEZKJIVRRCXDPA-IRXDYDNUSA-N	1	0	353.507	1.941	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000410150983	678886470	/nfs/dbraw/zinc/88/64/70/678886470.db2.gz	DZNFAFRHYLWKEE-AEFFLSMTSA-N	1	0	364.515	1.967	20	30		FDEDRO
C=C(C)CN(C)C(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1	ZINC000410815978	678954319	/nfs/dbraw/zinc/95/43/19/678954319.db2.gz	USLHGESWWLRLDE-UHFFFAOYSA-N	1	0	350.507	1.038	20	30		FDEDRO
CN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H](C(N)=O)c1cccc(Br)c1	ZINC000424168686	680831253	/nfs/dbraw/zinc/83/12/53/680831253.db2.gz	IRZLILDYWVVBTE-CHWSQXEVSA-N	1	0	367.247	1.455	20	30		FDEDRO
C[C@@H](NC(=O)c1cc(C#N)ccc1Cl)C(=O)NCC[NH+]1CCCCC1	ZINC000412326229	679173365	/nfs/dbraw/zinc/17/33/65/679173365.db2.gz	ZWXDWJKTFIXLMI-CYBMUJFWSA-N	1	0	362.861	1.932	20	30		FDEDRO
C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000415342630	679411634	/nfs/dbraw/zinc/41/16/34/679411634.db2.gz	RBZBIRLDTRUOCU-VIFPVBQESA-N	1	0	351.204	1.080	20	30		FDEDRO
CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	ZINC000415436150	679430878	/nfs/dbraw/zinc/43/08/78/679430878.db2.gz	JHQOMKSXVWPSBD-ZDUSSCGKSA-N	1	0	357.439	1.720	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H](C)C[NH3+]	ZINC000415510932	679441860	/nfs/dbraw/zinc/44/18/60/679441860.db2.gz	LPKKCQKVOBOOPD-JTQLQIEISA-N	1	0	370.247	1.663	20	30		FDEDRO
C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000415523100	679444716	/nfs/dbraw/zinc/44/47/16/679444716.db2.gz	MZOOEVJXBSHCIP-ONGXEEELSA-N	1	0	352.341	1.294	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCC[NH2+]C2CC2)cc1	ZINC000415603164	679462817	/nfs/dbraw/zinc/46/28/17/679462817.db2.gz	TUTJZDWAGYATTG-GFCCVEGCSA-N	1	0	350.444	1.636	20	30		FDEDRO
N#Cc1ccc(NC(=O)NCCCN2CC[NH2+]CC2)cc1Br	ZINC000415689755	679479877	/nfs/dbraw/zinc/47/98/77/679479877.db2.gz	IJPCWIZXXBETGF-UHFFFAOYSA-N	1	0	366.263	1.738	20	30		FDEDRO
N#Cc1ncc(NC(=O)C(=O)N(CCC[NH3+])CC2CCCC2)cc1Cl	ZINC000415708423	679483511	/nfs/dbraw/zinc/48/35/11/679483511.db2.gz	HQOLMFDHPNRWHT-UHFFFAOYSA-N	1	0	363.849	1.913	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)C(=O)N(C)C1C[NH2+]C1	ZINC000415730634	679487636	/nfs/dbraw/zinc/48/76/36/679487636.db2.gz	DQYILWYJFPHVDE-UHFFFAOYSA-N	1	0	368.231	1.383	20	30		FDEDRO
CC1(C)CN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC[NH2+]1	ZINC000415823401	679515215	/nfs/dbraw/zinc/51/52/15/679515215.db2.gz	PULCVWUKLUKAMK-UHFFFAOYSA-N	1	0	352.341	1.309	20	30		FDEDRO
N#CCCSc1ccccc1NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1	ZINC000415893568	679534544	/nfs/dbraw/zinc/53/45/44/679534544.db2.gz	NFSJDBOMHLFYPU-ZIAGYGMSSA-N	1	0	358.467	1.699	20	30		FDEDRO
C=CCC(C)(C)CNC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000418207898	680024891	/nfs/dbraw/zinc/02/48/91/680024891.db2.gz	CJTDQNWCHFSZRB-HOTGVXAUSA-N	1	0	350.507	1.879	20	30		FDEDRO
COCC[NH2+]CCNC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1	ZINC000418513665	680078634	/nfs/dbraw/zinc/07/86/34/680078634.db2.gz	VEQRIHXBZRMSGX-UHFFFAOYSA-N	1	0	365.865	1.279	20	30		FDEDRO
CN(CCS(=O)(=O)c1ccc(C#N)cn1)C(C)(C)C[NH+]1CCCC1	ZINC000419369918	680245836	/nfs/dbraw/zinc/24/58/36/680245836.db2.gz	GHJZXHVWUHIFBT-UHFFFAOYSA-N	1	0	350.488	1.533	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(C#N)c2Br)CC1	ZINC000419805293	680360874	/nfs/dbraw/zinc/36/08/74/680360874.db2.gz	DIFPXUZTRDFQFH-UHFFFAOYSA-N	1	0	365.231	1.470	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](CCO)CC2)CC1	ZINC000421019218	680589752	/nfs/dbraw/zinc/58/97/52/680589752.db2.gz	PDUQSCCCUJOTKO-MSOLQXFVSA-N	1	0	350.507	1.163	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CCC(=O)N(C)C1=O)C(C)C	ZINC000425613369	680912855	/nfs/dbraw/zinc/91/28/55/680912855.db2.gz	WFAHHGHGSOMNQQ-GJZGRUSLSA-N	1	0	350.463	1.132	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C	ZINC000425869944	680937845	/nfs/dbraw/zinc/93/78/45/680937845.db2.gz	VOXGIVIYXPKISR-IHRRRGAJSA-N	1	0	351.472	1.174	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1	ZINC000428414225	681001275	/nfs/dbraw/zinc/00/12/75/681001275.db2.gz	OOXWIRLDMFHICQ-CYBMUJFWSA-N	1	0	352.456	1.775	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN(CC)C(=O)[C@H]1C)C(C)C	ZINC000429939662	681057374	/nfs/dbraw/zinc/05/73/74/681057374.db2.gz	HNZAQUWZVHIKEZ-IAGOWNOFSA-N	1	0	350.507	1.947	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CCC)C1	ZINC000430374360	681073663	/nfs/dbraw/zinc/07/36/63/681073663.db2.gz	HLSRMGVJHYLABV-IKGGRYGDSA-N	1	0	351.491	1.274	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)NCCC[N@@H+]1CCCO[C@H](C)C1	ZINC000432334004	681153280	/nfs/dbraw/zinc/15/32/80/681153280.db2.gz	DRZZTWLHOGYKDH-CQSZACIVSA-N	1	0	367.471	1.346	20	30		FDEDRO
C=CCN(C(=O)C[C@H](c1ccccc1)[NH+](C)C)[C@H]1CCS(=O)(=O)C1	ZINC000433303339	681179058	/nfs/dbraw/zinc/17/90/58/681179058.db2.gz	KRWBBTQECFTVOG-DLBZAZTESA-N	1	0	350.484	1.881	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)c1	ZINC000435227729	681575937	/nfs/dbraw/zinc/57/59/37/681575937.db2.gz	VERKBKGTIYIKDQ-HNNXBMFYSA-N	1	0	351.472	1.317	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1	ZINC000435750021	681633484	/nfs/dbraw/zinc/63/34/84/681633484.db2.gz	MJQHOHFPOVRVCH-IXDOHACOSA-N	1	0	353.488	1.488	20	30		FDEDRO
C[C@]1(CNS(=O)(=O)c2cc(Br)cc(C#N)c2)CCC[NH2+]C1	ZINC000440859830	682035151	/nfs/dbraw/zinc/03/51/51/682035151.db2.gz	NUNJYBBFXVTMSA-AWEZNQCLSA-N	1	0	372.288	1.989	20	30		FDEDRO
C[NH+](C)[C@]1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CCSC1	ZINC000443367930	682288075	/nfs/dbraw/zinc/28/80/75/682288075.db2.gz	DWKFCNSLJQFMFF-AWEZNQCLSA-N	1	0	370.456	1.182	20	30		FDEDRO
N#CCCN(C(=O)C[NH2+][C@@H](CO)[C@@H]1CCCO1)c1cccc(Cl)c1	ZINC000447918019	682579062	/nfs/dbraw/zinc/57/90/62/682579062.db2.gz	RVPRXXNLGMRQOG-HOTGVXAUSA-N	1	0	351.834	1.716	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@]2(C[NH3+])CCCC[C@H]2C)c1	ZINC000448177342	682599902	/nfs/dbraw/zinc/59/99/02/682599902.db2.gz	FHNRALSAGNQNCQ-KDOFPFPSSA-N	1	0	365.499	1.788	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1	ZINC000449726104	682706574	/nfs/dbraw/zinc/70/65/74/682706574.db2.gz	WNGKTGZEZHHJRE-LBPRGKRZSA-N	1	0	365.377	1.160	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@H](C)CO	ZINC000450741618	682777570	/nfs/dbraw/zinc/77/75/70/682777570.db2.gz	ZXWRQDGSGQJIOM-KFWWJZLASA-N	1	0	350.488	1.063	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CCNS(=O)(=O)CC2(CC#N)CC2)cc1	ZINC000451165204	682832746	/nfs/dbraw/zinc/83/27/46/682832746.db2.gz	JUBTZPRQTRXEPP-UHFFFAOYSA-N	1	0	365.499	1.783	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(S(=O)(=O)CC(C)(C)CC#N)CC1	ZINC000451491129	682888032	/nfs/dbraw/zinc/88/80/32/682888032.db2.gz	HREVNXHCKYIPQH-UHFFFAOYSA-N	1	0	352.460	1.482	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(OCC)n2nc(C(F)(F)F)nc2n1	ZINC000451611029	682905878	/nfs/dbraw/zinc/90/58/78/682905878.db2.gz	VWRWAYZWGREIQE-MNOVXSKESA-N	1	0	357.336	1.975	20	30		FDEDRO
C[C@@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C)[N@H+]1CCO	ZINC000451649556	682911757	/nfs/dbraw/zinc/91/17/57/682911757.db2.gz	CDJJWKWZYKXDRT-BETUJISGSA-N	1	0	350.850	1.537	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1	ZINC000451655100	682913721	/nfs/dbraw/zinc/91/37/21/682913721.db2.gz	QYKGEZSODOVNKB-MJBXVCDLSA-N	1	0	364.877	1.926	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1	ZINC000451931421	682971868	/nfs/dbraw/zinc/97/18/68/682971868.db2.gz	SFQOKRMTPGIOJP-SJORKVTESA-N	1	0	364.515	1.777	20	30		FDEDRO
C=CCC[C@H](CO)[NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000453340971	683160066	/nfs/dbraw/zinc/16/00/66/683160066.db2.gz	DNTNOEGGKGARLS-DOTOQJQBSA-N	1	0	368.499	1.685	20	30		FDEDRO
COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453731860	683199164	/nfs/dbraw/zinc/19/91/64/683199164.db2.gz	CMQCPLBXKIOPRW-UHFFFAOYSA-N	1	0	352.822	1.087	20	30		FDEDRO
N#Cc1ccc(Cl)c(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CCCO)c1	ZINC000453809225	683218625	/nfs/dbraw/zinc/21/86/25/683218625.db2.gz	UGYUCZHXCZININ-CYBMUJFWSA-N	1	0	364.833	1.113	20	30		FDEDRO
C=CCOCCC[NH+]1CCN(c2ccccc2S(=O)(=O)NC)CC1	ZINC000470759825	685065979	/nfs/dbraw/zinc/06/59/79/685065979.db2.gz	KNCORGROIJYHEH-UHFFFAOYSA-N	1	0	353.488	1.309	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N(C)CC[N@H+](C)C2CC2)c1	ZINC000472693973	685235162	/nfs/dbraw/zinc/23/51/62/685235162.db2.gz	ZTKLERIGCBCDNW-UHFFFAOYSA-N	1	0	351.472	1.317	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C	ZINC000479980052	686072752	/nfs/dbraw/zinc/07/27/52/686072752.db2.gz	MTTXHKDLCPSELJ-OAGGEKHMSA-N	1	0	353.507	1.566	20	30		FDEDRO
C[C@H]1OCC[C@H]1[N@H+](CCO)CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000483282537	686484649	/nfs/dbraw/zinc/48/46/49/686484649.db2.gz	PGOHEBGFEAFVSD-IUODEOHRSA-N	1	0	363.483	1.909	20	30		FDEDRO
Cc1ccsc1[C@H](CO)[NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000494643071	687562233	/nfs/dbraw/zinc/56/22/33/687562233.db2.gz	MQCSTCJGIQDATE-JKSUJKDBSA-N	1	0	364.515	1.372	20	30		FDEDRO
COC1CCN(C2(C[NH2+][C@H](C)C(=O)N(C)CCC#N)CCCC2)CC1	ZINC000495443274	687623379	/nfs/dbraw/zinc/62/33/79/687623379.db2.gz	BIAHCKHKRJXUNA-MRXNPFEDSA-N	1	0	350.507	1.760	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCC[C@@H]1C(=O)NC)C(C)C	ZINC000498537877	687805785	/nfs/dbraw/zinc/80/57/85/687805785.db2.gz	AHQLDMFIPYGKKQ-GVDBMIGSSA-N	1	0	350.507	1.899	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CSCC(=O)N1CCCCC1	ZINC000499346933	687940579	/nfs/dbraw/zinc/94/05/79/687940579.db2.gz	YGQQPVVBKOYJCZ-UHFFFAOYSA-N	1	0	354.520	1.426	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C[NH+](C)C)CC2)cc1	ZINC000509923756	689323677	/nfs/dbraw/zinc/32/36/77/689323677.db2.gz	GDXRPSLMBJDIKS-UHFFFAOYSA-N	1	0	365.499	1.565	20	30		FDEDRO
CN(C[C@@H]1CCC[N@H+](CCCC2(C#N)CCOCC2)C1)S(C)(=O)=O	ZINC000511141851	689475564	/nfs/dbraw/zinc/47/55/64/689475564.db2.gz	WXDHUAIDMJHUQN-INIZCTEOSA-N	1	0	357.520	1.690	20	30		FDEDRO
CC[NH+](CC)[C@H](CNC(=O)NCC(=O)NCC#N)c1ccccc1Cl	ZINC000511907199	689565471	/nfs/dbraw/zinc/56/54/71/689565471.db2.gz	RYLOOXCKXHJEML-OAHLLOKOSA-N	1	0	365.865	1.662	20	30		FDEDRO
Cc1cc(N(CCC#N)C(=O)CN2C[C@H](O)[C@@H]([NH+](C)C)C2)ccc1Cl	ZINC000514870955	689780922	/nfs/dbraw/zinc/78/09/22/689780922.db2.gz	OJKKZUBQGIGNNA-IRXDYDNUSA-N	1	0	364.877	1.502	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCOC3(CCOCC3)C2)nc1	ZINC000517557104	690074288	/nfs/dbraw/zinc/07/42/88/690074288.db2.gz	XSEQRNLPGIONAN-HNNXBMFYSA-N	1	0	365.455	1.045	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]23)CC1	ZINC000517988167	690110674	/nfs/dbraw/zinc/11/06/74/690110674.db2.gz	KAUWNLRIGCMGDZ-VYDXJSESSA-N	1	0	366.531	1.479	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1	ZINC000518975200	690173224	/nfs/dbraw/zinc/17/32/24/690173224.db2.gz	OCANUZFJIXTBDK-UHFFFAOYSA-N	1	0	366.487	1.341	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNS(=O)(=O)Cc2ccc(CC#N)cc2)CCCO1	ZINC000519543264	690219126	/nfs/dbraw/zinc/21/91/26/690219126.db2.gz	RQWQDJPTEQKFPK-INIZCTEOSA-N	1	0	365.499	1.673	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)o1	ZINC000519618991	690233570	/nfs/dbraw/zinc/23/35/70/690233570.db2.gz	SESOTVCFGGKJCX-CJNGLKHVSA-N	1	0	363.414	1.962	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCN2S(=O)(=O)CCCC)CC1	ZINC000522271646	694476692	/nfs/dbraw/zinc/47/66/92/694476692.db2.gz	MAIASTAUKWSEFE-QGZVFWFLSA-N	1	0	371.547	1.737	20	30		FDEDRO
CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000528049773	694697585	/nfs/dbraw/zinc/69/75/85/694697585.db2.gz	TXHZWKUSWGZTAM-AWEZNQCLSA-N	1	0	372.288	1.939	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1	ZINC000639027100	695421643	/nfs/dbraw/zinc/42/16/43/695421643.db2.gz	JVKJBFMEBNNQQY-WBVHZDCISA-N	1	0	363.483	1.365	20	30		FDEDRO
C=CCN(C(=O)Nc1cc(C[NH+](C)C)ccn1)[C@@H]1CCS(=O)(=O)C1	ZINC000640567643	695599583	/nfs/dbraw/zinc/59/95/83/695599583.db2.gz	LEGZIORGEYDHGY-CQSZACIVSA-N	1	0	352.460	1.350	20	30		FDEDRO
CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(C#N)cc(Cl)n1	ZINC001164614493	719014724	/nfs/dbraw/zinc/01/47/24/719014724.db2.gz	FOSLUXZCHVVVTD-WOPDTQHZSA-N	1	0	370.787	1.881	20	30		FDEDRO
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cnc(Cl)c(C#N)c1	ZINC001164617823	719014797	/nfs/dbraw/zinc/01/47/97/719014797.db2.gz	QAXLRDICHWGQRD-WCFLWFBJSA-N	1	0	370.787	1.881	20	30		FDEDRO
C[N@@H+]1CCO[C@@H]2CN(c3ccc([C@@H](C#N)c4ccccc4F)nn3)C[C@@H]21	ZINC001164673119	719407391	/nfs/dbraw/zinc/40/73/91/719407391.db2.gz	SKZPIWJITFJIAJ-JCGIZDLHSA-N	1	0	353.401	1.790	20	30		FDEDRO
C=CCNC(=O)c1cccnc1-n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2	ZINC001164680572	719638579	/nfs/dbraw/zinc/63/85/79/719638579.db2.gz	WKZNGKMJJJFNID-UHFFFAOYSA-N	1	0	368.485	1.669	20	30		FDEDRO
N#Cc1nc(Cl)cnc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164741717	720644538	/nfs/dbraw/zinc/64/45/38/720644538.db2.gz	MAKKOBVPQXTLQD-NWDGAFQWSA-N	1	0	357.805	1.134	20	30		FDEDRO
N#Cc1cc(Cl)cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1	ZINC001164743190	720676813	/nfs/dbraw/zinc/67/68/13/720676813.db2.gz	WWXXSDWOBVXKTA-CABCVRRESA-N	1	0	356.817	1.739	20	30		FDEDRO
N#Cc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cn1	ZINC001164739860	720815552	/nfs/dbraw/zinc/81/55/52/720815552.db2.gz	JCJQDKDIZWAYHD-KBAYOESNSA-N	1	0	364.457	1.319	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3cc(C#N)cc(Cl)n3)CC[C@@H]2C1	ZINC001164849138	720830055	/nfs/dbraw/zinc/83/00/55/720830055.db2.gz	OXHKHLLQKUASJU-HUUCEWRRSA-N	1	0	350.850	1.780	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)c(F)cc3C#N)CC[C@@H]2C1	ZINC001164850867	720833043	/nfs/dbraw/zinc/83/30/43/720833043.db2.gz	VLLZFSYJEZESOS-IUODEOHRSA-N	1	0	368.840	1.919	20	30		FDEDRO
COc1cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ncc1C#N	ZINC001164867930	721044689	/nfs/dbraw/zinc/04/46/89/721044689.db2.gz	LAFCSDFSKCPDFC-MSOLQXFVSA-N	1	0	365.437	1.837	20	30		FDEDRO
N#Cc1cc(Cl)nnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164871967	721064436	/nfs/dbraw/zinc/06/44/36/721064436.db2.gz	ZYJXDXJYZCXHSY-JKSUJKDBSA-N	1	0	370.844	1.876	20	30		FDEDRO
N#Cc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(C#N)c1	ZINC001164978224	722108150	/nfs/dbraw/zinc/10/81/50/722108150.db2.gz	NZFWTZYHCYHXJP-QUCCMNQESA-N	1	0	374.448	1.947	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1	ZINC001022703163	782284892	/nfs/dbraw/zinc/28/48/92/782284892.db2.gz	IFUODJCKTSQOFL-LJISPDSOSA-N	1	0	355.866	1.146	20	30		FDEDRO
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)n1	ZINC000277519756	782349490	/nfs/dbraw/zinc/34/94/90/782349490.db2.gz	NVFUJLVINQRFFM-HNNXBMFYSA-N	1	0	372.473	1.581	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)COC4CCCC4)[C@@H]3C2)C1=O	ZINC001075575275	805611726	/nfs/dbraw/zinc/61/17/26/805611726.db2.gz	VCDIBBPLCMASAC-RYQLBKOJSA-N	1	0	361.486	1.265	20	30		FDEDRO
CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1OCC#N)[NH+](C)C	ZINC000161235317	782541569	/nfs/dbraw/zinc/54/15/69/782541569.db2.gz	XPHMYHVOVXOGPY-AWEZNQCLSA-N	1	0	364.421	1.759	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)C(C)C	ZINC000176662464	782560785	/nfs/dbraw/zinc/56/07/85/782560785.db2.gz	JVXCFMSAQGOZIC-WBVHZDCISA-N	1	0	359.474	1.577	20	30		FDEDRO
C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)C1	ZINC001020421575	769397361	/nfs/dbraw/zinc/39/73/61/769397361.db2.gz	UOSDLKXDIHGISI-FDYHWXHSSA-N	1	0	353.264	1.669	20	30		FDEDRO
C=CCOc1cn(-c2ccccc2)nc1C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1	ZINC000655093331	770018807	/nfs/dbraw/zinc/01/88/07/770018807.db2.gz	NDWXARIKUVATCO-HOTGVXAUSA-N	1	0	356.426	1.184	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)c1	ZINC000969432119	770191324	/nfs/dbraw/zinc/19/13/24/770191324.db2.gz	YVQDZOZWVUWNAO-ZSYWTGECSA-N	1	0	355.438	1.300	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCCN2CCCC2=O)C1	ZINC000969692181	770657734	/nfs/dbraw/zinc/65/77/34/770657734.db2.gz	LBOVYVNLXBLJJZ-NXHRZFHOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(Cc2cc(F)ccc2C#N)C1	ZINC000969705167	770693305	/nfs/dbraw/zinc/69/33/05/770693305.db2.gz	UHEVPMRIZPZVBA-IQUTYRLHSA-N	1	0	358.461	1.974	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(N4CCCC4)ncn3)[C@H]2C1	ZINC001083193189	771088695	/nfs/dbraw/zinc/08/86/95/771088695.db2.gz	FQTOACRKRLITIB-DLBZAZTESA-N	1	0	357.458	1.178	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCn4c(C)ncc4C3)[C@H]2C1	ZINC001083193879	771226716	/nfs/dbraw/zinc/22/67/16/771226716.db2.gz	LYSOLVOYWZDEIP-NZSAHSFTSA-N	1	0	358.486	1.632	20	30		FDEDRO
Cn1cc([C@@H]2C[C@H]2C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(C#N)ccc3F)C2)cn1	ZINC001022748337	782909855	/nfs/dbraw/zinc/90/98/55/782909855.db2.gz	WYIVMSKBCYQSNR-XWTMOSNGSA-N	1	0	367.428	1.971	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccnc(OC)n2)C1	ZINC001020715806	771292731	/nfs/dbraw/zinc/29/27/31/771292731.db2.gz	KNTRWEKOBHGDSF-QAETUUGQSA-N	1	0	360.458	1.593	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001020720382	771293662	/nfs/dbraw/zinc/29/36/62/771293662.db2.gz	AIRILKGQUDKNSM-QBYUYEEZSA-N	1	0	362.861	1.590	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cn(CC3CC3)nn2)C1	ZINC001020726345	771304101	/nfs/dbraw/zinc/30/41/01/771304101.db2.gz	GPGUCKVQZBMTKF-LAQRGFTBSA-N	1	0	359.474	1.406	20	30		FDEDRO
Cn1cc([C@@H]2C[C@H]2C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(F)ccc3C#N)C2)cn1	ZINC001022749313	782918323	/nfs/dbraw/zinc/91/83/23/782918323.db2.gz	DKHCPTNRJMLWKR-ZSYWTGECSA-N	1	0	367.428	1.971	20	30		FDEDRO
COc1cc(/C=C/C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)ccc1OCC#N	ZINC000275192194	771379137	/nfs/dbraw/zinc/37/91/37/771379137.db2.gz	FWCILWPBNPYVBK-HRNFOAQLSA-N	1	0	373.453	1.524	20	30		FDEDRO
C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1C	ZINC001104233046	771439495	/nfs/dbraw/zinc/43/94/95/771439495.db2.gz	BNNOECFUODWSJN-HZPDHXFCSA-N	1	0	356.532	1.852	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NC)C1	ZINC001104239587	771600194	/nfs/dbraw/zinc/60/01/94/771600194.db2.gz	GEUAXBWZRFUVDS-ZIAGYGMSSA-N	1	0	352.479	1.119	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]C[C@@H]2CCc3ncnn32)CC1	ZINC001167277079	771855194	/nfs/dbraw/zinc/85/51/94/771855194.db2.gz	AJMMYRVNLCGADR-XHSDSOJGSA-N	1	0	359.474	1.233	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCCc2nnc(-c3ccccc3)n2C)CC1	ZINC000275541246	771883588	/nfs/dbraw/zinc/88/35/88/771883588.db2.gz	LRMCXHAKRYJKAN-UHFFFAOYSA-N	1	0	351.454	1.486	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)c4ccoc4C)[C@@H]3C2)CC1	ZINC001021039792	771976208	/nfs/dbraw/zinc/97/62/08/771976208.db2.gz	NYKASLUVRQJRNA-PKOBYXMFSA-N	1	0	369.465	1.606	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1	ZINC000972236863	782991604	/nfs/dbraw/zinc/99/16/04/782991604.db2.gz	JJJIFMPKYDVHIN-JFIYKMOQSA-N	1	0	356.470	1.299	20	30		FDEDRO
N#Cc1cccc(F)c1CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000511154211	782998719	/nfs/dbraw/zinc/99/87/19/782998719.db2.gz	QMDYZOJIVTWFKM-UHFFFAOYSA-N	1	0	358.417	1.006	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@@H]2O)CC1	ZINC000970337080	772366792	/nfs/dbraw/zinc/36/67/92/772366792.db2.gz	ZOKSNNVDEQJTCT-SQNIBIBYSA-N	1	0	363.502	1.294	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2ccco2)CC1	ZINC001167295291	772402303	/nfs/dbraw/zinc/40/23/03/772402303.db2.gz	FDYKXXFZTQCMRD-BZUAXINKSA-N	1	0	357.454	1.397	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(C)C)C1)OCC	ZINC001104255404	772433857	/nfs/dbraw/zinc/43/38/57/772433857.db2.gz	PAFJOULKKAGRIY-KZNAEPCWSA-N	1	0	367.534	1.957	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)cc1	ZINC000972246824	783013225	/nfs/dbraw/zinc/01/32/25/783013225.db2.gz	RRBABBFLEBQURU-RTBURBONSA-N	1	0	351.450	1.437	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CNS(=O)(=O)CC)C[C@H]1C	ZINC001104257914	772458158	/nfs/dbraw/zinc/45/81/58/772458158.db2.gz	JAHIQLCBUDDSES-BZUAXINKSA-N	1	0	359.536	1.355	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCOC)C2)C[C@H]1C	ZINC001104259204	772511649	/nfs/dbraw/zinc/51/16/49/772511649.db2.gz	CMBSWQXXAOSAPJ-BMFZPTHFSA-N	1	0	371.909	1.308	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]2O)C1	ZINC000970403469	772567654	/nfs/dbraw/zinc/56/76/54/772567654.db2.gz	VOLPTTGVBSEWRZ-MSOLQXFVSA-N	1	0	371.481	1.406	20	30		FDEDRO
C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)N(C)C)C1C[NH+](Cc2ccc(C#N)cc2)C1	ZINC000970425378	772596342	/nfs/dbraw/zinc/59/63/42/772596342.db2.gz	OPNYHCRBPNLDET-DOPJRALCSA-N	1	0	354.454	1.219	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)C[C@H]1C	ZINC001104266600	772632015	/nfs/dbraw/zinc/63/20/15/772632015.db2.gz	PCOPOKFYYQHPCM-HZPDHXFCSA-N	1	0	357.520	1.062	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cnn(C)c2)C1=O	ZINC001087117910	772668376	/nfs/dbraw/zinc/66/83/76/772668376.db2.gz	NECKUOMCVDLPNF-PVAVHDDUSA-N	1	0	359.474	1.037	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ccc3c(c2)nnn3C)C1	ZINC000970447710	772678297	/nfs/dbraw/zinc/67/82/97/772678297.db2.gz	RSFZJWKVZBFQPL-NRXGSXMXSA-N	1	0	369.469	1.496	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2cccc(CC#N)c2)CCN1c1cc[nH+]cc1	ZINC000890991255	772695501	/nfs/dbraw/zinc/69/55/01/772695501.db2.gz	UUWQGDRSCSZDCV-HNNXBMFYSA-N	1	0	363.421	1.823	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC(F)(F)C2)C[C@H]1C	ZINC001104271714	772697661	/nfs/dbraw/zinc/69/76/61/772697661.db2.gz	CYUYEPJCAVDILG-RBSFLKMASA-N	1	0	355.429	1.245	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)[C@H](C)C4CC4)[C@@H]3C2)CC1	ZINC001021317996	772875727	/nfs/dbraw/zinc/87/57/27/772875727.db2.gz	KMZXOPMKFUJNHB-AYOQOUSVSA-N	1	0	357.498	1.437	20	30		FDEDRO
C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC000970558434	772955628	/nfs/dbraw/zinc/95/56/28/772955628.db2.gz	RZQGTOIFVWOORN-UCLAIMLFSA-N	1	0	356.470	1.614	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3nc(C)nn3C1)C2	ZINC001112486429	772978577	/nfs/dbraw/zinc/97/85/77/772978577.db2.gz	RPQJHSXPSZSOPI-UWVAXJGDSA-N	1	0	357.502	1.943	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(OC)no1	ZINC001021385294	773122133	/nfs/dbraw/zinc/12/21/33/773122133.db2.gz	SZYJEWRCPWTURK-QGEPZTFVSA-N	1	0	361.442	1.886	20	30		FDEDRO
CC(C)[C@H](C(=O)N1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1)[NH+](C)C	ZINC001021410939	773233139	/nfs/dbraw/zinc/23/31/39/773233139.db2.gz	CJRVFJWHMSZHOF-IAOVAPTHSA-N	1	0	357.458	1.145	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)CC[N@@H+]1C	ZINC001021415465	773259386	/nfs/dbraw/zinc/25/93/86/773259386.db2.gz	OCMWAPAQSYKCDN-OXXUSNJHSA-N	1	0	369.469	1.290	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2nc3c(s2)CCC3)C[C@H]1C	ZINC001104420173	783091045	/nfs/dbraw/zinc/09/10/45/783091045.db2.gz	AVLHTMWGHKIVNS-HUUCEWRRSA-N	1	0	361.511	1.969	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cncc(-n3ccnn3)c1)C2	ZINC001112493751	773923598	/nfs/dbraw/zinc/92/35/98/773923598.db2.gz	DBDIEPXLUOMDGC-PXNSSMCTSA-N	1	0	364.453	1.518	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C)(C)C2CCCC2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104298465	774063089	/nfs/dbraw/zinc/06/30/89/774063089.db2.gz	KWYNLRODAUZUGJ-HZPDHXFCSA-N	1	0	362.518	1.917	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cccc3c2NC(=O)CO3)C[C@H]1C	ZINC001104299138	774089689	/nfs/dbraw/zinc/08/96/89/774089689.db2.gz	ZLKNFUXQZCUSMA-HUUCEWRRSA-N	1	0	355.438	1.729	20	30		FDEDRO
CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1	ZINC000275846674	774098206	/nfs/dbraw/zinc/09/82/06/774098206.db2.gz	WDVZZHVCMZNQBB-AWEZNQCLSA-N	1	0	373.457	1.632	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CNC(=O)c3ccccc32)C[C@H]1C	ZINC001104299869	774121676	/nfs/dbraw/zinc/12/16/76/774121676.db2.gz	VBDLSMCJTSCKBE-GPMSIDNRSA-N	1	0	353.466	1.611	20	30		FDEDRO
CC(C)c1nccn1CCC(=O)N1CC[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]21	ZINC001021628805	774300505	/nfs/dbraw/zinc/30/05/05/774300505.db2.gz	FXSCKAFZRSGRKT-OWCLPIDISA-N	1	0	357.458	1.616	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc3c(=O)[nH]c(C)cn3n1)C2	ZINC001112496287	774329676	/nfs/dbraw/zinc/32/96/76/774329676.db2.gz	PMLOTNGLCNHYSB-YWZLYKJASA-N	1	0	369.469	1.739	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](OC)C1CCC1)C2	ZINC001112496458	774334981	/nfs/dbraw/zinc/33/49/81/774334981.db2.gz	XWCXDGXYLQVQSQ-HQRMLTQVSA-N	1	0	363.502	1.322	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)COCC2CCCC2)C[C@H]1C	ZINC001104301023	774335704	/nfs/dbraw/zinc/33/57/04/774335704.db2.gz	NOWCLJVAFGTSOM-IEBWSBKVSA-N	1	0	350.503	1.917	20	30		FDEDRO
N#CC[C@H](NC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C(F)(F)F	ZINC000932910758	774374154	/nfs/dbraw/zinc/37/41/54/774374154.db2.gz	MISPCBDNGAHREU-MJBXVCDLSA-N	1	0	362.396	1.898	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CCC(=O)NC3(C)C)cn2)CC1	ZINC000328739139	774380570	/nfs/dbraw/zinc/38/05/70/774380570.db2.gz	LCFCBVAYKORJPT-HNNXBMFYSA-N	1	0	374.489	1.735	20	30		FDEDRO
CC#CC[NH2+]CC1(CCNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1	ZINC001167425447	774580878	/nfs/dbraw/zinc/58/08/78/774580878.db2.gz	GFPJGDYMSQKJHO-PKOBYXMFSA-N	1	0	368.481	1.500	20	30		FDEDRO
FC1(F)[C@H]2C[N@H+](CCn3cnnn3)C[C@H]2C(F)(F)C(F)(F)C1(F)F	ZINC000932939742	774588860	/nfs/dbraw/zinc/58/88/60/774588860.db2.gz	IYZLKBKFZKMHIZ-KNVOCYPGSA-N	1	0	365.228	1.776	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cscn2)C1=O	ZINC001087134266	774605818	/nfs/dbraw/zinc/60/58/18/774605818.db2.gz	JYESWIOVDONJEY-ILXRZTDVSA-N	1	0	362.499	1.760	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1	ZINC001021699162	774660225	/nfs/dbraw/zinc/66/02/25/774660225.db2.gz	MWRUWBSVFGSAAJ-SLFFLAALSA-N	1	0	365.477	1.221	20	30		FDEDRO
C[C@@H]1CCN(C(=O)CC(N)=O)[C@H](C[NH2+]Cc2ccc(OCC#N)cc2)C1	ZINC001087138290	774798242	/nfs/dbraw/zinc/79/82/42/774798242.db2.gz	GLRBNDFKOIPNAP-ZBFHGGJFSA-N	1	0	358.442	1.181	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1(C[NH2+]CCc2cnn(C)c2)CC1	ZINC001167435194	774840908	/nfs/dbraw/zinc/84/09/08/774840908.db2.gz	NAAVBNVEAXBQAB-ROUUACIJSA-N	1	0	360.502	1.820	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001087148275	775580801	/nfs/dbraw/zinc/58/08/01/775580801.db2.gz	NEPYDWWOIUFMDS-GJYPPUQNSA-N	1	0	368.481	1.801	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3c[nH]c(=O)c4ccccc34)[C@H]2C1	ZINC001083215718	775864426	/nfs/dbraw/zinc/86/44/26/775864426.db2.gz	OPYMHAJEEXZAFW-ZWKOTPCHSA-N	1	0	351.406	1.489	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cc3cccn3cn2)C[C@H]1C	ZINC001104342481	775910124	/nfs/dbraw/zinc/91/01/24/775910124.db2.gz	RXLIIYRRCFOOTK-IAGOWNOFSA-N	1	0	354.454	1.672	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CCO[C@@H]3C[N@H+](C[C@H]4CCOC4)C[C@@H]32)cc1	ZINC001083217108	776456497	/nfs/dbraw/zinc/45/64/97/776456497.db2.gz	IAGOJVXUIGEIBH-LSTHTHJFSA-N	1	0	370.449	1.260	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@H]4[C@@H]5CCC[C@@H]54)C[C@H]32)CC1	ZINC001021883876	776488440	/nfs/dbraw/zinc/48/84/40/776488440.db2.gz	NYVIHBGQJOMDJZ-CENDIDJXSA-N	1	0	369.509	1.437	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2C[C@@H]3CCN(C(=O)CC[NH+]4CCCCC4)[C@@H]3C2)c1	ZINC001021884222	776498403	/nfs/dbraw/zinc/49/84/03/776498403.db2.gz	UPVMOLQFYMULLG-FUHWJXTLSA-N	1	0	369.469	1.435	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C4CCCC4)C[C@H]32)CC1	ZINC001021884478	776499875	/nfs/dbraw/zinc/49/98/75/776499875.db2.gz	ZBHCRGSBHBUPAG-RBUKOAKNSA-N	1	0	357.498	1.581	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C4(C)CCCC4)C[C@H]32)CC1	ZINC001021886536	776501582	/nfs/dbraw/zinc/50/15/82/776501582.db2.gz	CSPFEDRPSHIKRO-RBUKOAKNSA-N	1	0	371.525	1.971	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cncnc2)C1=O	ZINC001087153847	776662655	/nfs/dbraw/zinc/66/26/55/776662655.db2.gz	QWEWFHHQCSFBDA-PVAVHDDUSA-N	1	0	357.458	1.094	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1	ZINC001021941448	776757682	/nfs/dbraw/zinc/75/76/82/776757682.db2.gz	LXFDUSXTGFTYPT-QFBILLFUSA-N	1	0	370.497	1.831	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2coc(C)n2)C1=O	ZINC001087154367	776877613	/nfs/dbraw/zinc/87/76/13/776877613.db2.gz	PKASPTGWXFCGIR-KBMXLJTQSA-N	1	0	360.458	1.600	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@@H](CC)C(N)=O)C2)cc1	ZINC001112506096	777475598	/nfs/dbraw/zinc/47/55/98/777475598.db2.gz	ZFDOYGSZOCARAO-WFXMLNOXSA-N	1	0	353.466	1.764	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](N[C@H](C)c2nc(COC)no2)C1	ZINC001022099264	777902913	/nfs/dbraw/zinc/90/29/13/777902913.db2.gz	HJHIPKMTCGNFRO-QMIVOQANSA-N	1	0	364.446	1.495	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc3n2CCCC3)C1	ZINC001022099677	777913918	/nfs/dbraw/zinc/91/39/18/777913918.db2.gz	NWEYLEXOAMQRIH-QXSJWSMHSA-N	1	0	359.474	1.332	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnc(OC)nc2C)C1	ZINC001022099406	777927218	/nfs/dbraw/zinc/92/72/18/777927218.db2.gz	KIGJCLVRXVDPGM-TWMKSMIVSA-N	1	0	360.458	1.512	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CCCCN3C(C)=O)[C@H]2C1	ZINC001083221889	777972919	/nfs/dbraw/zinc/97/29/19/777972919.db2.gz	WNMAQZVEQLNEIN-CEXWTWQISA-N	1	0	363.502	1.655	20	30		FDEDRO
CC(C)(O)C[N@@H+]1CCCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1	ZINC000376743143	790601857	/nfs/dbraw/zinc/60/18/57/790601857.db2.gz	SROUALDFDPRPEP-SFHVURJKSA-N	1	0	354.454	1.546	20	30		FDEDRO
COc1cccc([C@@H]2C[NH2+]CCN2C(=O)NC2CCN(CC#N)CC2)c1	ZINC000891524491	778215461	/nfs/dbraw/zinc/21/54/61/778215461.db2.gz	JFOLQBINEUZKLJ-SFHVURJKSA-N	1	0	357.458	1.339	20	30		FDEDRO
C=CC[C@H](NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccncc1	ZINC000891563211	778339997	/nfs/dbraw/zinc/33/99/97/778339997.db2.gz	AZQJMBNMYZVBSR-TWMKSMIVSA-N	1	0	371.441	1.275	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cccc(-n3ccnc3)n2)C[C@H]1C	ZINC001104375344	778592655	/nfs/dbraw/zinc/59/26/55/778592655.db2.gz	HFUWGJYDOSUPNC-IAGOWNOFSA-N	1	0	351.454	1.978	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)Cn2nnc(-c3ccco3)n2)C[C@H]1C	ZINC001104376758	778660987	/nfs/dbraw/zinc/66/09/87/778660987.db2.gz	RUEMZDPQUJICCM-HUUCEWRRSA-N	1	0	356.430	1.031	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnc3c(c1)ncn3C)C2	ZINC001112506798	778677547	/nfs/dbraw/zinc/67/75/47/778677547.db2.gz	GGVIGTCUHAMOFK-JXFKEZNVSA-N	1	0	351.454	1.824	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1CC[NH2+]Cc1ccc(OCC#N)cc1	ZINC001104379687	779130701	/nfs/dbraw/zinc/13/07/01/779130701.db2.gz	GVAWKVSFORKZPN-GDBMZVCRSA-N	1	0	368.441	1.595	20	30		FDEDRO
CC(C)[C@H](CNC(=O)NCc1nc(C#N)cs1)[NH+]1CCN(C)CC1	ZINC000891753360	779261231	/nfs/dbraw/zinc/26/12/31/779261231.db2.gz	WYTOZEGKJMNMHP-AWEZNQCLSA-N	1	0	350.492	1.086	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1	ZINC000471871739	779466939	/nfs/dbraw/zinc/46/69/39/779466939.db2.gz	MSVOXKKADPQTNZ-MSOLQXFVSA-N	1	0	358.486	1.670	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4cccc4)nc3)[C@H]2C1	ZINC001083227081	779622748	/nfs/dbraw/zinc/62/27/48/779622748.db2.gz	LPGPTJCKQYENJE-ZWKOTPCHSA-N	1	0	352.438	1.974	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cn3cccnc3n2)C[C@H]1C	ZINC001104384634	779711701	/nfs/dbraw/zinc/71/17/01/779711701.db2.gz	ASZGBJBJADIHIM-HZPDHXFCSA-N	1	0	355.442	1.067	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2CCCNC2=O)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087177553	779763202	/nfs/dbraw/zinc/76/32/02/779763202.db2.gz	DVTCNQLCTFODCQ-MNEFBYGVSA-N	1	0	368.481	1.801	20	30		FDEDRO
C[N@@H+]1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000276834886	779849185	/nfs/dbraw/zinc/84/91/85/779849185.db2.gz	HBEAKPORHVBZIP-KRWDZBQOSA-N	1	0	355.442	1.006	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087184184	780343845	/nfs/dbraw/zinc/34/38/45/780343845.db2.gz	BEVORAPPRSAWPD-MNEFBYGVSA-N	1	0	368.481	1.801	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1	ZINC000971872645	780352875	/nfs/dbraw/zinc/35/28/75/780352875.db2.gz	DBWFQZZHSRTQPV-KBRIMQKVSA-N	1	0	355.442	1.044	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cncn2C)C1=O	ZINC001087186906	780479654	/nfs/dbraw/zinc/47/96/54/780479654.db2.gz	LUCXUGRXNAWICF-PMPSAXMXSA-N	1	0	359.474	1.037	20	30		FDEDRO
COC(=O)C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C(C)(C)C	ZINC000934032374	780651068	/nfs/dbraw/zinc/65/10/68/780651068.db2.gz	XUGYFPPISSMGDB-HNNXBMFYSA-N	1	0	352.456	1.899	20	30		FDEDRO
C[NH+](C)[C@@H]1CCCN(CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1	ZINC000277056918	780691517	/nfs/dbraw/zinc/69/15/17/780691517.db2.gz	CVKRCIRCBWJCOF-ZBFHGGJFSA-N	1	0	367.453	1.928	20	30		FDEDRO
N#Cc1ncccc1S(=O)(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1	ZINC000277085957	780735407	/nfs/dbraw/zinc/73/54/07/780735407.db2.gz	VDZGNENAJVQVCJ-KRWDZBQOSA-N	1	0	370.478	1.796	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CC=CCC1)C2	ZINC001112509754	781055728	/nfs/dbraw/zinc/05/57/28/781055728.db2.gz	KHHBVIOZUDOABV-ZWOKBUDYSA-N	1	0	358.486	1.591	20	30		FDEDRO
C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1	ZINC000971998779	781385542	/nfs/dbraw/zinc/38/55/42/781385542.db2.gz	WSCSIXMMSXYGCT-LWYYNNOASA-N	1	0	369.465	1.642	20	30		FDEDRO
Cn1nccc1C[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@H]1c1ccccc1	ZINC001211537917	781769246	/nfs/dbraw/zinc/76/92/46/781769246.db2.gz	ILMRQCUIWFSSMV-ZWKOTPCHSA-N	1	0	369.494	1.761	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3O2)C[C@H]1C	ZINC001104399342	781771701	/nfs/dbraw/zinc/77/17/01/781771701.db2.gz	FGNDDTNRFYENEM-SUMDDJOVSA-N	1	0	371.481	1.367	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNC(=O)NCc2ccc(OCC#N)cc2)CCCO1	ZINC000277419106	781821126	/nfs/dbraw/zinc/82/11/26/781821126.db2.gz	MEXBCJREWRUDQD-MRXNPFEDSA-N	1	0	360.458	1.889	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]2O)C1	ZINC001025523973	790930737	/nfs/dbraw/zinc/93/07/37/790930737.db2.gz	JDHLVWPHQLSNFW-QZTJIDSGSA-N	1	0	371.481	1.406	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCOC2)C[C@H]1c1ccccc1	ZINC001211554480	783399722	/nfs/dbraw/zinc/39/97/22/783399722.db2.gz	AWLCYJHMGZEUFM-CEXWTWQISA-N	1	0	371.481	1.299	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCOC2)C[C@H]1c1ccccc1	ZINC001211554481	783400128	/nfs/dbraw/zinc/40/01/28/783400128.db2.gz	AWLCYJHMGZEUFM-GBESFXJTSA-N	1	0	371.481	1.299	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cscn2)C[C@H]1c1ccccc1	ZINC001211554982	783493902	/nfs/dbraw/zinc/49/39/02/783493902.db2.gz	JUFGMPZRIRYATG-JKSUJKDBSA-N	1	0	368.462	1.090	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccnc1C)C2	ZINC001112519117	783754656	/nfs/dbraw/zinc/75/46/56/783754656.db2.gz	VGXBDWJDCGFEEK-WWMYMODYSA-N	1	0	368.481	1.360	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cn3cccnc3n2)C[C@H]1c1ccccc1	ZINC001211629429	783794307	/nfs/dbraw/zinc/79/43/07/783794307.db2.gz	PWCQRSDWCUCSDP-ZWKOTPCHSA-N	1	0	359.433	1.950	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2cn(C(C)C)nn2)C1	ZINC001024164364	784152648	/nfs/dbraw/zinc/15/26/48/784152648.db2.gz	AVBVHNSNMMBCHK-JQHSSLGASA-N	1	0	361.490	1.778	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ncc(Cl)n2C)C1	ZINC001024165092	784162884	/nfs/dbraw/zinc/16/28/84/784162884.db2.gz	LGQCUDYEMNJTRI-KFWWJZLASA-N	1	0	366.893	1.993	20	30		FDEDRO
CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC(=O)NCC#N	ZINC000377047677	791004124	/nfs/dbraw/zinc/00/41/24/791004124.db2.gz	HTCBVAOPRXCZCV-KRWDZBQOSA-N	1	0	357.458	1.180	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2cn(C)nn2)C1	ZINC001024191742	784290006	/nfs/dbraw/zinc/29/00/06/784290006.db2.gz	CRKZIMXZNSWKTJ-SZMVWBNQSA-N	1	0	361.490	1.515	20	30		FDEDRO
N#CCNC(=O)CNC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000377059202	791015584	/nfs/dbraw/zinc/01/55/84/791015584.db2.gz	YGRHGNOXEQUFNY-ZWKOTPCHSA-N	1	0	369.469	1.465	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1	ZINC001024462199	784759436	/nfs/dbraw/zinc/75/94/36/784759436.db2.gz	IQFWKYZDRPWGMS-IAGOWNOFSA-N	1	0	370.453	1.547	20	30		FDEDRO
C[N@@H+]1CC[C@H](CNC(=O)NCC#CCO)[C@H]1c1ccc(Cl)c(F)c1	ZINC000923776027	784786315	/nfs/dbraw/zinc/78/63/15/784786315.db2.gz	WITMEALSHIXRIE-CZUORRHYSA-N	1	0	353.825	1.767	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(OC)n(C)n2)C[C@H]1c1ccccc1	ZINC001211631425	784810592	/nfs/dbraw/zinc/81/05/92/784810592.db2.gz	FQSULEMLINMPLI-FUHWJXTLSA-N	1	0	352.438	1.650	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCCCNC(N)=O)C[C@H]1c1ccccc1	ZINC001211631709	784862683	/nfs/dbraw/zinc/86/26/83/784862683.db2.gz	KROMMRACCYKARI-ZWKOTPCHSA-N	1	0	358.486	1.985	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc1	ZINC000364337394	784957188	/nfs/dbraw/zinc/95/71/88/784957188.db2.gz	NAGFODISOXGNND-RDJZCZTQSA-N	1	0	371.397	1.740	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000364533248	785090958	/nfs/dbraw/zinc/09/09/58/785090958.db2.gz	JSWAPEVXUDYKAK-RTBURBONSA-N	1	0	368.481	1.992	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2cc(C)nn2C)C[C@H]1c1ccccc1	ZINC001211633056	785096155	/nfs/dbraw/zinc/09/61/55/785096155.db2.gz	QOEPADVRSLYCHA-VQTJNVASSA-N	1	0	350.466	1.879	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCC(F)F)C[C@H]1c1ccccc1	ZINC001211635261	785429131	/nfs/dbraw/zinc/42/91/31/785429131.db2.gz	UWVMCVPDWLTXFH-JKSUJKDBSA-N	1	0	363.408	1.365	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001024652489	785626706	/nfs/dbraw/zinc/62/67/06/785626706.db2.gz	NVARXKAVYRFNCO-CEXWTWQISA-N	1	0	368.481	1.753	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cn2ccc(C)cc2=O)C[C@H]1c1ccccc1	ZINC001211682078	805656556	/nfs/dbraw/zinc/65/65/56/805656556.db2.gz	IWDASWTZYAXRMT-VQTJNVASSA-N	1	0	363.461	1.764	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=C)Br)C[C@H]21	ZINC000978723244	805699012	/nfs/dbraw/zinc/69/90/12/805699012.db2.gz	YGGYHFGPRCDYCN-ZSAUSMIDSA-N	1	0	355.276	1.780	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1	ZINC000431756086	786803167	/nfs/dbraw/zinc/80/31/67/786803167.db2.gz	SERLXJFIGANAMB-MRXNPFEDSA-N	1	0	354.454	1.996	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001024967154	786996568	/nfs/dbraw/zinc/99/65/68/786996568.db2.gz	SAWXHZKJHXNERT-ATZDWAIDSA-N	1	0	368.481	1.944	20	30		FDEDRO
Cc1cccc(N2CC[NH+](CCCCNC(=O)NCC#CCO)CC2)c1	ZINC000923785844	787071257	/nfs/dbraw/zinc/07/12/57/787071257.db2.gz	LUMDFSAQMFUDPZ-UHFFFAOYSA-N	1	0	358.486	1.192	20	30		FDEDRO
CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1	ZINC000376323030	787278807	/nfs/dbraw/zinc/27/88/07/787278807.db2.gz	GCORJHQMCAHRDL-XYJFISCASA-N	1	0	362.426	1.340	20	30		FDEDRO
C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)C1	ZINC000255892343	787367051	/nfs/dbraw/zinc/36/70/51/787367051.db2.gz	XDWSLAJSHFLNOG-QNFDFVDRSA-N	1	0	354.454	1.938	20	30		FDEDRO
N#Cc1cnc2ccccc2c1N1CCN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1	ZINC000892578815	787427127	/nfs/dbraw/zinc/42/71/27/787427127.db2.gz	XBJVBIHUBJUKPE-KOMQPUFPSA-N	1	0	364.453	1.675	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1	ZINC000978840567	805808482	/nfs/dbraw/zinc/80/84/82/805808482.db2.gz	PHFKCLPQPQXISR-ZBRFXRBCSA-N	1	0	363.502	1.320	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)Cc2cscn2)C[C@H]1c1ccccc1	ZINC001211684170	805811524	/nfs/dbraw/zinc/81/15/24/805811524.db2.gz	MCZLDAIJMGKVRA-RBUKOAKNSA-N	1	0	369.490	1.920	20	30		FDEDRO
Cc1nn(C)c(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1C#N	ZINC000892616966	787740282	/nfs/dbraw/zinc/74/02/82/787740282.db2.gz	QPQGIBOBOABXRH-RDJZCZTQSA-N	1	0	369.473	1.786	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1CC[NH2+]Cc1ccccc1C#N	ZINC001104558300	787840967	/nfs/dbraw/zinc/84/09/67/787840967.db2.gz	CYXOWCFJKDJPOL-ATZDWAIDSA-N	1	0	368.481	1.611	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2csc(=O)[nH]2)C[C@H]1C	ZINC001104561703	787884098	/nfs/dbraw/zinc/88/40/98/787884098.db2.gz	MRPFRNBOYWBFSM-JHJVBQTASA-N	1	0	366.487	1.227	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2C(=O)CCC2=O)C1	ZINC001104563086	787911050	/nfs/dbraw/zinc/91/10/50/787911050.db2.gz	JDQQKNZXUZBIOT-GVDBMIGSSA-N	1	0	363.502	1.812	20	30		FDEDRO
CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000162825701	787925934	/nfs/dbraw/zinc/92/59/34/787925934.db2.gz	LYKJBSHBAKJFBV-UHFFFAOYSA-N	1	0	364.421	1.713	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCC[C@H]1CNCc1csnn1	ZINC001025112172	787976456	/nfs/dbraw/zinc/97/64/56/787976456.db2.gz	VMVHMOYTQOMRMA-JYJNAYRXSA-N	1	0	350.488	1.990	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C(C)C)C[C@H]1C	ZINC001104578280	788391185	/nfs/dbraw/zinc/39/11/85/788391185.db2.gz	PZVXKYYBUKQTFS-KURKYZTESA-N	1	0	363.502	1.110	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1	ZINC000973327923	788633764	/nfs/dbraw/zinc/63/37/64/788633764.db2.gz	OQBNSUGXSILUJM-FRMKIJSPSA-N	1	0	363.502	1.461	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(C)CCCC2)C[C@H]1c1ccccc1	ZINC001211645165	788862489	/nfs/dbraw/zinc/86/24/89/788862489.db2.gz	SVZZBMNSCSTXJJ-RBUKOAKNSA-N	1	0	367.493	1.900	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1CC[NH2+]CC#Cc1ccc(F)cc1	ZINC001104612987	788890237	/nfs/dbraw/zinc/89/02/37/788890237.db2.gz	GMVHLPCZOZTIFM-NVXWUHKLSA-N	1	0	371.456	1.517	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1	ZINC000973453040	789051561	/nfs/dbraw/zinc/05/15/61/789051561.db2.gz	HGQXGDNSBTYOFD-MKXGPGLRSA-N	1	0	371.481	1.716	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC(N)=O)C2)CC1	ZINC001104631325	789058110	/nfs/dbraw/zinc/05/81/10/789058110.db2.gz	JLIDWGOGRQBJQY-IIAWOOMASA-N	1	0	364.490	1.390	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1	ZINC000659535265	789118222	/nfs/dbraw/zinc/11/82/22/789118222.db2.gz	YWXGKUMVBQDZJF-SFHVURJKSA-N	1	0	364.534	1.430	20	30		FDEDRO
COC[C@@H](OC)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccccc2C#N)C1	ZINC001104649075	789147029	/nfs/dbraw/zinc/14/70/29/789147029.db2.gz	UTKWCMGYFBOCNK-ATZDWAIDSA-N	1	0	359.470	1.794	20	30		FDEDRO
COC[C@@H](OC)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001104648421	789161700	/nfs/dbraw/zinc/16/17/00/789161700.db2.gz	LRFLZNMMACQWOJ-ATZDWAIDSA-N	1	0	359.470	1.794	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nnc(C)[nH]3)C2)c1	ZINC001104659098	789180652	/nfs/dbraw/zinc/18/06/52/789180652.db2.gz	CBQSAEHILOSUOC-CZUORRHYSA-N	1	0	352.442	1.377	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1c1ccccc1	ZINC001211688332	805946826	/nfs/dbraw/zinc/94/68/26/805946826.db2.gz	VHEQMULGFLUWJB-ZWKOTPCHSA-N	1	0	369.465	1.590	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCC[NH2+]Cc1cccnc1	ZINC000659709250	789549080	/nfs/dbraw/zinc/54/90/80/789549080.db2.gz	ATWGAKIEMXMMHZ-MSOLQXFVSA-N	1	0	358.486	1.929	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCCn2cnc(C#N)n2)CC1	ZINC000377220157	791299482	/nfs/dbraw/zinc/29/94/82/791299482.db2.gz	GIZSWCRRAFZKSO-INIZCTEOSA-N	1	0	373.505	1.836	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+]	ZINC000415076728	791341435	/nfs/dbraw/zinc/34/14/35/791341435.db2.gz	SMCNBDYWNJMZFM-CQSZACIVSA-N	1	0	359.430	1.418	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c1	ZINC000415129035	791468770	/nfs/dbraw/zinc/46/87/70/791468770.db2.gz	UBJVTKULJCUEDY-CYBMUJFWSA-N	1	0	365.384	1.671	20	30		FDEDRO
C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000377336426	791573642	/nfs/dbraw/zinc/57/36/42/791573642.db2.gz	UTZFNNBFQOFSTM-WMLDXEAASA-N	1	0	352.438	1.533	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2	ZINC000415200967	791631462	/nfs/dbraw/zinc/63/14/62/791631462.db2.gz	CSDDKNLFDKZISN-GUYCJALGSA-N	1	0	361.417	1.507	20	30		FDEDRO
CN(C)c1ccc(C(N)=[NH+]OCC(=O)NCc2cc(F)cc(F)c2)cc1	ZINC000174123240	791738571	/nfs/dbraw/zinc/73/85/71/791738571.db2.gz	ZZPAYWHXBHJLOW-UHFFFAOYSA-N	1	0	362.380	1.984	20	30		FDEDRO
C=CCNC(=O)COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2	ZINC000892959203	792197252	/nfs/dbraw/zinc/19/72/52/792197252.db2.gz	WGUTVFJVGXJLMK-FXAWDEMLSA-N	1	0	358.438	1.371	20	30		FDEDRO
N#CCCN(C(=O)c1ccc(-n2nnc(CC[NH3+])n2)nc1)c1ccccc1	ZINC001167790573	806135705	/nfs/dbraw/zinc/13/57/05/806135705.db2.gz	LINPPMJLHPVLHW-UHFFFAOYSA-N	1	0	362.397	1.119	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])n1	ZINC000415438207	792258202	/nfs/dbraw/zinc/25/82/02/792258202.db2.gz	LUBZKZBINUUHAF-DOMZBBRYSA-N	1	0	356.405	2.522	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)n1	ZINC000415435476	792264990	/nfs/dbraw/zinc/26/49/90/792264990.db2.gz	IUTFIQKKVNCVKD-CYBMUJFWSA-N	1	0	364.331	2.002	20	30		FDEDRO
N#Cc1cc(Oc2ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)cc2)ccn1	ZINC000415447380	792293563	/nfs/dbraw/zinc/29/35/63/792293563.db2.gz	KUKNLMKBXBGDMG-KRWDZBQOSA-N	1	0	365.393	1.538	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)NC[C@H]2CCC[NH2+]2)c(C#N)cn1CCOC	ZINC000415488451	792358078	/nfs/dbraw/zinc/35/80/78/792358078.db2.gz	LMSVONFAHNZKDL-CYBMUJFWSA-N	1	0	363.418	1.056	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2CCO[C@@H]3C[N@@H+](CCOC)C[C@@H]32)cc1	ZINC001083286485	792394245	/nfs/dbraw/zinc/39/42/45/792394245.db2.gz	MKXODASVODHNKO-RBUKOAKNSA-N	1	0	360.454	1.352	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1	ZINC000415531474	792457281	/nfs/dbraw/zinc/45/72/81/792457281.db2.gz	YRSGXQRTZBLIFE-HNNXBMFYSA-N	1	0	356.426	1.496	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)cc1C#N	ZINC000415568695	792547986	/nfs/dbraw/zinc/54/79/86/792547986.db2.gz	IXJVOUREYVGILG-LJQANCHMSA-N	1	0	358.442	1.790	20	30		FDEDRO
CC1(CNC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC[NH2+]CC1	ZINC000415576609	792575023	/nfs/dbraw/zinc/57/50/23/792575023.db2.gz	WIQZMXCEVISGRA-UHFFFAOYSA-N	1	0	366.368	1.604	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1C#N	ZINC000415581893	792597301	/nfs/dbraw/zinc/59/73/01/792597301.db2.gz	NZODHPUZMNJURM-IAOVAPTHSA-N	1	0	370.453	1.870	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1	ZINC000377762778	792749932	/nfs/dbraw/zinc/74/99/32/792749932.db2.gz	SVDUVBGNWKHKLG-HZPDHXFCSA-N	1	0	364.490	1.937	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1	ZINC000377762780	792750044	/nfs/dbraw/zinc/75/00/44/792750044.db2.gz	SVDUVBGNWKHKLG-JKSUJKDBSA-N	1	0	364.490	1.937	20	30		FDEDRO
O=C(Nc1ccccc1C#Cc1ccccc1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1	ZINC000415670899	792782034	/nfs/dbraw/zinc/78/20/34/792782034.db2.gz	IKNKYGZADROCJW-KDURUIRLSA-N	1	0	359.429	1.703	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N(CCC[NH3+])CC1CCCC1	ZINC000415712062	792854723	/nfs/dbraw/zinc/85/47/23/792854723.db2.gz	PSOLYRODTMQKGL-UHFFFAOYSA-N	1	0	358.442	1.873	20	30		FDEDRO
CCCc1c(NC(=O)C(=O)N(C)C2C[NH2+]C2)cnn1-c1cccc(C#N)c1	ZINC000415733873	792894102	/nfs/dbraw/zinc/89/41/02/792894102.db2.gz	JLWIFPMMZKFDLL-UHFFFAOYSA-N	1	0	366.425	1.065	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1	ZINC000415746664	792920410	/nfs/dbraw/zinc/92/04/10/792920410.db2.gz	NVTNJVRLILLOSQ-CABCVRRESA-N	1	0	356.426	1.352	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1	ZINC000415752959	792934161	/nfs/dbraw/zinc/93/41/61/792934161.db2.gz	FIBFHJSPWQPJDD-IYBDPMFKSA-N	1	0	370.453	1.742	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1	ZINC000415807529	793013327	/nfs/dbraw/zinc/01/33/27/793013327.db2.gz	LEGCPTIVYWUPIF-GJZGRUSLSA-N	1	0	358.442	1.918	20	30		FDEDRO
CC1(C)CN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC[NH2+]1	ZINC000415821979	793051948	/nfs/dbraw/zinc/05/19/48/793051948.db2.gz	JPYJMSDILPLGNM-UHFFFAOYSA-N	1	0	362.433	1.630	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1	ZINC000415862745	793209448	/nfs/dbraw/zinc/20/94/48/793209448.db2.gz	KSAZJZDAYSIGQC-BFUOFWGJSA-N	1	0	373.457	1.376	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NCCC2=CC[NH2+]CC2)cc1C(F)(F)F	ZINC000415881199	793279467	/nfs/dbraw/zinc/27/94/67/793279467.db2.gz	UFILUZQXTKOMKU-UHFFFAOYSA-N	1	0	366.343	1.942	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN([C@@H](C)c3nnc(C)o3)C[C@H]21	ZINC001026096583	793287678	/nfs/dbraw/zinc/28/76/78/793287678.db2.gz	ZRVKHAVZIRMVOJ-KZJSETAVSA-N	1	0	360.458	1.857	20	30		FDEDRO
C=CCN(CCOC)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1	ZINC000416001100	793475280	/nfs/dbraw/zinc/47/52/80/793475280.db2.gz	KRZDBKVDNQGGGZ-UHFFFAOYSA-N	1	0	362.474	1.637	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccn2ccnc2c1	ZINC000290576757	793518752	/nfs/dbraw/zinc/51/87/52/793518752.db2.gz	FPIYMIIHYGDYNC-ZDUSSCGKSA-N	1	0	362.397	1.739	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nccn3C)C2)nn1	ZINC001104777436	793598570	/nfs/dbraw/zinc/59/85/70/793598570.db2.gz	KNYAVSAMUCXUKG-HZPDHXFCSA-N	1	0	371.489	1.476	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)CCCn2ccnc2C)C[C@H]1C	ZINC001104793633	793709845	/nfs/dbraw/zinc/70/98/45/793709845.db2.gz	CQTIKLPWSSGXBS-IEBWSBKVSA-N	1	0	360.502	1.696	20	30		FDEDRO
CC[C@H](C[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@H]1C(F)(F)F)OC	ZINC001112053088	793874942	/nfs/dbraw/zinc/87/49/42/793874942.db2.gz	QZUHHUPPQFAHOH-IJLUTSLNSA-N	1	0	353.410	1.647	20	30		FDEDRO
N#CCSCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H]2CCOC2)C1	ZINC001112053127	793877406	/nfs/dbraw/zinc/87/74/06/793877406.db2.gz	UFEQKENNXDTKGA-QJPTWQEYSA-N	1	0	351.394	1.259	20	30		FDEDRO
C[C@@H]1CN(CC(=O)Nc2cccc(C#N)c2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000378320136	793949824	/nfs/dbraw/zinc/94/98/24/793949824.db2.gz	PAJUIEJPEUDJJF-VQIMIIECSA-N	1	0	355.486	1.455	20	30		FDEDRO
C[NH+](C)CCN1C[C@@H](C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1=O	ZINC000416342737	794050284	/nfs/dbraw/zinc/05/02/84/794050284.db2.gz	QAVNUEPPRXPBPX-WMZOPIPTSA-N	1	0	354.454	1.462	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)CCOC)C[C@H]1C	ZINC001104858302	794097705	/nfs/dbraw/zinc/09/77/05/794097705.db2.gz	DHQIQNRQWGYRIP-IXDOHACOSA-N	1	0	367.534	1.814	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2Cn2cccn2)CC1	ZINC000378425976	794112854	/nfs/dbraw/zinc/11/28/54/794112854.db2.gz	GQCKCROAKJRSRQ-MOPGFXCFSA-N	1	0	372.517	1.430	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2c[nH]nc2C2CC2)C[C@H]1C	ZINC001104864080	794122040	/nfs/dbraw/zinc/12/20/40/794122040.db2.gz	ZUAQNZNGSKQXEP-IJEWVQPXSA-N	1	0	371.485	1.113	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnn3c2CCCC3)C[C@H]1C	ZINC001104875440	794164972	/nfs/dbraw/zinc/16/49/72/794164972.db2.gz	JLKMEAVOXHAPJX-IAGOWNOFSA-N	1	0	358.486	1.557	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C	ZINC001104879309	794183673	/nfs/dbraw/zinc/18/36/73/794183673.db2.gz	ILOMBRRYVYOOTE-IXDOHACOSA-N	1	0	356.532	1.852	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cn(C3CCOCC3)nn2)C[C@H]1C	ZINC001104879064	794187445	/nfs/dbraw/zinc/18/74/45/794187445.db2.gz	DBEGOMWRQMVEFA-HZPDHXFCSA-N	1	0	359.474	1.341	20	30		FDEDRO
CCN1CCO[C@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1	ZINC000378500267	794221807	/nfs/dbraw/zinc/22/18/07/794221807.db2.gz	XDRBUUACKGIJDH-SFHVURJKSA-N	1	0	356.470	1.382	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1CC[NH2+]CC#Cc1ccc(F)cc1	ZINC001104891380	794237325	/nfs/dbraw/zinc/23/73/25/794237325.db2.gz	DLJQAFCYHMSUAD-NVXWUHKLSA-N	1	0	369.444	1.612	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C[C@H]1C	ZINC001104904617	794311660	/nfs/dbraw/zinc/31/16/60/794311660.db2.gz	CFBJPXWTOLWZPI-CHWSQXEVSA-N	1	0	364.446	1.550	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C[C@H]1C	ZINC001104905067	794322181	/nfs/dbraw/zinc/32/21/81/794322181.db2.gz	WIVHGNTYVLJDAI-MWLCHTKSSA-N	1	0	370.837	1.337	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@H](C)c2ccco2)C[C@H]1C	ZINC001104916913	794367445	/nfs/dbraw/zinc/36/74/45/794367445.db2.gz	KIAXSWKKPQNNQN-GVDBMIGSSA-N	1	0	359.470	1.597	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(C)C)C2)nc1	ZINC001104924678	794422738	/nfs/dbraw/zinc/42/27/38/794422738.db2.gz	QHXNQXJMJRVEAU-NVXWUHKLSA-N	1	0	356.470	1.275	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC3CC3)C2)cn1	ZINC001104927567	794434483	/nfs/dbraw/zinc/43/44/83/794434483.db2.gz	JWLWTCPKKSINDR-HLLBOEOZSA-N	1	0	368.481	1.418	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](OC)c2ccccc2)C[C@H]1C	ZINC001104928896	794441349	/nfs/dbraw/zinc/44/13/49/794441349.db2.gz	PWMRODFXVFEDRT-YVWKXTFCSA-N	1	0	371.481	1.198	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(Cl)cn2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104931106	794458572	/nfs/dbraw/zinc/45/85/72/794458572.db2.gz	LKGCDGVGQKUTLR-CHWSQXEVSA-N	1	0	363.849	1.063	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cccc(Cl)c2)C[C@H]1C	ZINC001104943328	794503919	/nfs/dbraw/zinc/50/39/19/794503919.db2.gz	QHWTZVOSROIKPT-GDBMZVCRSA-N	1	0	361.873	1.777	20	30		FDEDRO
C=CCN(C[C@H]1CCCN(C(=O)C(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1	ZINC000660071339	794550671	/nfs/dbraw/zinc/55/06/71/794550671.db2.gz	YBIGJUNLAKXPSZ-CVEARBPZSA-N	1	0	356.532	1.946	20	30		FDEDRO
Cc1cccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)c1C	ZINC001104969310	794637706	/nfs/dbraw/zinc/63/77/06/794637706.db2.gz	MURZUTBDEVZZKQ-NVXWUHKLSA-N	1	0	356.470	1.631	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C)cc2C)C[C@H]1C	ZINC001104971170	794658514	/nfs/dbraw/zinc/65/85/14/794658514.db2.gz	BYYSNSICDRPLNE-QZTJIDSGSA-N	1	0	355.482	1.741	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2nc3nc(C)cc(C)n3n2)C[C@H]1C	ZINC001104976431	794694916	/nfs/dbraw/zinc/69/49/16/794694916.db2.gz	LEKSMMHSTJPGKO-CZUORRHYSA-N	1	0	354.458	1.452	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000974190493	794699882	/nfs/dbraw/zinc/69/98/82/794699882.db2.gz	KVLPBEPABWWPIY-ZGXWSNOMSA-N	1	0	367.493	1.704	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(Cl)s2)C[C@H]1C	ZINC001104977931	794707644	/nfs/dbraw/zinc/70/76/44/794707644.db2.gz	BURFCZXQTRKDHZ-CHWSQXEVSA-N	1	0	367.902	1.839	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(-n3cnnn3)cc2)C[C@H]1C	ZINC001104985445	794736770	/nfs/dbraw/zinc/73/67/70/794736770.db2.gz	YVASPHMMBBVGEZ-NVXWUHKLSA-N	1	0	354.458	1.926	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(C)c(C)s2)C[C@H]1C	ZINC001104988570	794748500	/nfs/dbraw/zinc/74/85/00/794748500.db2.gz	BQLYEMVZFHMEFI-GDBMZVCRSA-N	1	0	361.511	1.802	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cc3c([nH]c2=O)CCC3)C[C@H]1C	ZINC001105013426	794906036	/nfs/dbraw/zinc/90/60/36/794906036.db2.gz	MJFURQXKTNYGST-NVXWUHKLSA-N	1	0	371.481	1.614	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@]3(CCCCO3)[C@@H]2C#N)CC1	ZINC000364005317	794922123	/nfs/dbraw/zinc/92/21/23/794922123.db2.gz	KJVREAZDSKIMDP-ICSRJNTNSA-N	1	0	362.518	1.903	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cccn2C(C)C)C[C@H]1C	ZINC001105019748	794954082	/nfs/dbraw/zinc/95/40/82/794954082.db2.gz	DJEFWPUEEKGZQP-IAGOWNOFSA-N	1	0	358.486	1.506	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2scnc2Cl)C[C@H]1C	ZINC001105020209	794955308	/nfs/dbraw/zinc/95/53/08/794955308.db2.gz	ZJRBUZYMNKNKSI-VXGBXAGGSA-N	1	0	370.906	1.787	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H](CNc2ccnc(C#N)n2)C2CCCCC2)CC[N@@H+]1C	ZINC001105025932	794957528	/nfs/dbraw/zinc/95/75/28/794957528.db2.gz	NALGBJYCONGNLA-DJIMGWMZSA-N	1	0	370.501	1.587	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)COc2ccc(C(N)=O)cc2)C[C@H]1C	ZINC001105031111	794979487	/nfs/dbraw/zinc/97/94/87/794979487.db2.gz	ICTZRGMVSHGPCX-NVXWUHKLSA-N	1	0	359.470	1.815	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2Cc3ccccc3C[C@H]2C(=O)NC2CC2)CC1	ZINC000843664155	794989086	/nfs/dbraw/zinc/98/90/86/794989086.db2.gz	HEZDCIWUXXTXOB-FQEVSTJZSA-N	1	0	365.477	1.564	20	30		FDEDRO
Cc1cc(NC(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)c(C#N)cc1N(C)C	ZINC000417136564	795010163	/nfs/dbraw/zinc/01/01/63/795010163.db2.gz	KPRLEXNGLWKUOR-HNNXBMFYSA-N	1	0	359.474	1.853	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)Cc2ccc(C(N)=O)cc2)C[C@H]1C	ZINC001105084698	795190410	/nfs/dbraw/zinc/19/04/10/795190410.db2.gz	ZZVIJZTYKAVZOR-VQIMIIECSA-N	1	0	371.481	1.052	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N[C@@H](C)CC)C1	ZINC001105085397	795195440	/nfs/dbraw/zinc/19/54/40/795195440.db2.gz	OBMXRIWYYQXZKY-IXDOHACOSA-N	1	0	353.507	1.568	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2nc3ncccn3n2)C[C@H]1c1ccccc1	ZINC001211692636	806397533	/nfs/dbraw/zinc/39/75/33/806397533.db2.gz	CHYZEMLCRUFOQF-DLBZAZTESA-N	1	0	362.437	1.898	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnc(C)n2CC)C1	ZINC001105090365	795234784	/nfs/dbraw/zinc/23/47/84/795234784.db2.gz	SHTGXENFBKFWNK-HLLBOEOZSA-N	1	0	363.506	1.772	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCCn2ccnc2)C[C@H]1C	ZINC001105097108	795262788	/nfs/dbraw/zinc/26/27/88/795262788.db2.gz	JFJPMRKFVASNBH-IAGOWNOFSA-N	1	0	361.490	1.040	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1	ZINC000930866949	795271793	/nfs/dbraw/zinc/27/17/93/795271793.db2.gz	NJMBVCUTLURJAL-INIZCTEOSA-N	1	0	357.458	1.811	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2COC(=O)C2)C[C@H]1C(F)(F)F	ZINC001112081862	795374190	/nfs/dbraw/zinc/37/41/90/795374190.db2.gz	OMVHAIZKUMYOOT-YNEHKIRRSA-N	1	0	364.364	1.121	20	30		FDEDRO
N#Cc1cccnc1OC1CCC(NC(=O)N[C@H](CC[NH3+])C(F)F)CC1	ZINC000418049031	795491961	/nfs/dbraw/zinc/49/19/61/795491961.db2.gz	MITAHFRGKQCJRX-JXQTWKCFSA-N	1	0	367.400	1.925	20	30		FDEDRO
C=C(C)CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3ccncc3)C2)nn1	ZINC001105242874	795532379	/nfs/dbraw/zinc/53/23/79/795532379.db2.gz	MHXWBONKELGQRW-RBUKOAKNSA-N	1	0	366.469	1.916	20	30		FDEDRO
O=C(NCC#Cc1cccc(F)c1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000418148682	795576993	/nfs/dbraw/zinc/57/69/93/795576993.db2.gz	ACNUPSMEXJWDAN-OAHLLOKOSA-N	1	0	372.366	1.313	20	30		FDEDRO
C=C(CNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)c1ccccc1	ZINC000418213289	795630961	/nfs/dbraw/zinc/63/09/61/795630961.db2.gz	VYCULYKOOQDLBR-GOSISDBHSA-N	1	0	356.470	1.553	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C(C)=C3CCC3)C[C@H]2C)CC1	ZINC001026614955	795647220	/nfs/dbraw/zinc/64/72/20/795647220.db2.gz	GDEJLJYEXWRZHQ-DNVCBOLYSA-N	1	0	357.498	1.795	20	30		FDEDRO
N#Cc1ccc(CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1F	ZINC000418268461	795679970	/nfs/dbraw/zinc/67/99/70/795679970.db2.gz	RIGBPEHTLVKFFM-AWEZNQCLSA-N	1	0	373.354	1.333	20	30		FDEDRO
N#CC1(NC(=O)CN2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CCCCC1	ZINC000364320926	795680328	/nfs/dbraw/zinc/68/03/28/795680328.db2.gz	APONXNCQPSZFNR-AWEZNQCLSA-N	1	0	360.418	1.771	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000431972551	795702886	/nfs/dbraw/zinc/70/28/86/795702886.db2.gz	NRJSTSODHHOCLQ-UHFFFAOYSA-N	1	0	370.453	1.566	20	30		FDEDRO
Cc1onc(CC(=O)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)c1C#N	ZINC000500290038	795789448	/nfs/dbraw/zinc/78/94/48/795789448.db2.gz	RWNNHVXPIULFEA-AWEZNQCLSA-N	1	0	354.414	1.571	20	30		FDEDRO
C[NH2+]C[C@@H](C)CNC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000418381714	795846438	/nfs/dbraw/zinc/84/64/38/795846438.db2.gz	IEYSMRLVXCNOEI-OAHLLOKOSA-N	1	0	366.469	1.794	20	30		FDEDRO
N#CCn1c(C(=O)NCC(=O)NCC[NH+]2CCCCC2)cc2ccccc21	ZINC000909326242	795943550	/nfs/dbraw/zinc/94/35/50/795943550.db2.gz	SULYNNOXUKUPSA-UHFFFAOYSA-N	1	0	367.453	1.497	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CC2(COC)CC2)C[C@H]1C(F)(F)F	ZINC001112100055	795976390	/nfs/dbraw/zinc/97/63/90/795976390.db2.gz	ZSCMDVPGUIEDMJ-ZIAGYGMSSA-N	1	0	364.408	1.985	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])C[C@]12c1ccccc1NC2=O	ZINC000418482612	795978477	/nfs/dbraw/zinc/97/84/77/795978477.db2.gz	YUMYFFSRWZYKIT-DZDCQFRTSA-N	1	0	353.426	1.169	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001058730740	795987062	/nfs/dbraw/zinc/98/70/62/795987062.db2.gz	GYTGUBKFSSVACI-FRQCXROJSA-N	1	0	353.507	1.256	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1	ZINC000980016511	806679342	/nfs/dbraw/zinc/67/93/42/806679342.db2.gz	MXMCBYVJVHHBQO-ZKXLYKBJSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=CC[C@]1(C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)CCC[NH2+]1	ZINC000662463821	806691282	/nfs/dbraw/zinc/69/12/82/806691282.db2.gz	IZKXLVFXWWAYLS-GOSISDBHSA-N	1	0	362.474	1.446	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@H]32)cn1	ZINC000974668763	800024129	/nfs/dbraw/zinc/02/41/29/800024129.db2.gz	BZMDWPBDACCEBS-YCEFEEMOSA-N	1	0	366.465	1.076	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1	ZINC001026854803	800032977	/nfs/dbraw/zinc/03/29/77/800032977.db2.gz	OOWUOHDOHDNLEK-KNBMTAEXSA-N	1	0	355.438	1.541	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2)C1	ZINC001027888971	806816465	/nfs/dbraw/zinc/81/64/65/806816465.db2.gz	GVAPZTUAFBBGOO-ZTFGCOKTSA-N	1	0	354.454	1.554	20	30		FDEDRO
Cc1cnc2cc(C(=O)N3CC[C@@H]4CN(C(=O)[C@H](C)C#N)[C@@H]4C3)ccn12	ZINC000974967778	800616493	/nfs/dbraw/zinc/61/64/93/800616493.db2.gz	AKQNVBLRMDIVBG-DAXOMENPSA-N	1	0	351.410	1.475	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](C(=O)NC(C)C)C2)CC1	ZINC000660596241	800641204	/nfs/dbraw/zinc/64/12/04/800641204.db2.gz	AXQIRDHPDDPZMD-INIZCTEOSA-N	1	0	350.507	1.973	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)cc1	ZINC001027068023	800655751	/nfs/dbraw/zinc/65/57/51/800655751.db2.gz	IWEYTCRWBUNCEG-KSZLIROESA-N	1	0	354.454	1.398	20	30		FDEDRO
N#Cc1cccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)c1	ZINC001027068315	800656679	/nfs/dbraw/zinc/65/66/79/800656679.db2.gz	QGTKIBNFGGDBHB-KURKYZTESA-N	1	0	354.454	1.398	20	30		FDEDRO
C=CC[C@]1(C(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)CCC[NH2+]1	ZINC000662580716	806862170	/nfs/dbraw/zinc/86/21/70/806862170.db2.gz	UIXMZODGSXERJB-GOSISDBHSA-N	1	0	374.466	1.913	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnc(CC)s2)C1	ZINC001027074668	800886038	/nfs/dbraw/zinc/88/60/38/800886038.db2.gz	DPXYPAQZKONCSU-MCIONIFRSA-N	1	0	350.488	1.630	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnc(C)n2C2CC2)C1	ZINC001027074714	800886395	/nfs/dbraw/zinc/88/63/95/800886395.db2.gz	FQBDMMGZCHLEBK-OIISXLGYSA-N	1	0	359.474	1.451	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnc(C)n2CC)C1	ZINC001027116968	801013197	/nfs/dbraw/zinc/01/31/97/801013197.db2.gz	MGVCSHPVSWAAMK-RYRKJORJSA-N	1	0	361.490	1.526	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(c3ccc(OCC)nn3)CC2)CC1	ZINC000660705301	801173013	/nfs/dbraw/zinc/17/30/13/801173013.db2.gz	VFVQRNJCSKFBAZ-UHFFFAOYSA-N	1	0	374.489	1.357	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1	ZINC000975403430	801283131	/nfs/dbraw/zinc/28/31/31/801283131.db2.gz	PVXFPYTZKJKACZ-BBWFWOEESA-N	1	0	361.486	1.028	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC000975526871	801448467	/nfs/dbraw/zinc/44/84/67/801448467.db2.gz	HMLMSVPXSHOADV-SZVBFZGTSA-N	1	0	368.481	1.372	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)c4cocn4)C[C@@H]32)CC1	ZINC000975621866	801774685	/nfs/dbraw/zinc/77/46/85/801774685.db2.gz	LNWCJDCGJKICOA-YJBOKZPZSA-N	1	0	370.453	1.083	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1	ZINC000660853147	801787405	/nfs/dbraw/zinc/78/74/05/801787405.db2.gz	QZOVEPLUFNNGNS-SJORKVTESA-N	1	0	350.507	1.927	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)CC4CCC4)C[C@@H]32)CC1	ZINC000975638080	801808070	/nfs/dbraw/zinc/80/80/70/801808070.db2.gz	VPHMZTLJRCJIPW-ICSRJNTNSA-N	1	0	371.525	1.971	20	30		FDEDRO
CC[C@@H](C(=O)N1CC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21)[NH+](C)C	ZINC000975640338	801812895	/nfs/dbraw/zinc/81/28/95/801812895.db2.gz	CWYWMMLSCMGBJQ-XIRDDKMYSA-N	1	0	357.458	1.290	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)C1	ZINC000975699455	802054076	/nfs/dbraw/zinc/05/40/76/802054076.db2.gz	CZHZUOXUDGPKDO-ZCNNSNEGSA-N	1	0	371.525	1.827	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@@H]32)nc1	ZINC000975718567	802120275	/nfs/dbraw/zinc/12/02/75/802120275.db2.gz	JWJINHALMOKTBY-LNLFQRSKSA-N	1	0	366.465	1.078	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)CCC[NH2+]1	ZINC000662682732	806961371	/nfs/dbraw/zinc/96/13/71/806961371.db2.gz	ORCITQLEQYANHV-FXAWDEMLSA-N	1	0	362.518	1.230	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@H]3C2)CC[N@@H+]1C	ZINC000975737565	802173854	/nfs/dbraw/zinc/17/38/54/802173854.db2.gz	YCZRLIIZPMDSFK-NONVJHHQSA-N	1	0	369.469	1.290	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)[C@@H](C)CC)[C@H]3C2)CC1	ZINC000975754267	802207755	/nfs/dbraw/zinc/20/77/55/802207755.db2.gz	HREVYWPAGKRBSX-LNLFQRSKSA-N	1	0	359.514	1.827	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)C4CC=CC4)[C@H]3C2)CC1	ZINC000975754495	802208669	/nfs/dbraw/zinc/20/86/69/802208669.db2.gz	KYDVUOHDSYMFQQ-PXNSSMCTSA-N	1	0	369.509	1.747	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CCN(C(=O)[C@@H]4CCC[N@H+]4C)[C@H]3C2)nc1	ZINC000975832878	802545207	/nfs/dbraw/zinc/54/52/07/802545207.db2.gz	FHJSBAKTKXXUFL-WDSOQIARSA-N	1	0	366.465	1.220	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC000661116404	802753920	/nfs/dbraw/zinc/75/39/20/802753920.db2.gz	JSXKOXFOKGDLJN-HUUCEWRRSA-N	1	0	359.474	1.548	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)CCC[NH2+]1	ZINC000662719018	802895274	/nfs/dbraw/zinc/89/52/74/802895274.db2.gz	UYKWUAJUDPFFBN-OXQOHEQNSA-N	1	0	362.518	1.276	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)CCC[NH2+]1	ZINC000662722838	802903340	/nfs/dbraw/zinc/90/33/40/802903340.db2.gz	SLCSFRVFJXYKLZ-FQEVSTJZSA-N	1	0	362.518	1.087	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C(C)(F)F)CC1	ZINC000976153231	803002736	/nfs/dbraw/zinc/00/27/36/803002736.db2.gz	UOZSMCHAOLUXNP-HUUCEWRRSA-N	1	0	355.429	1.530	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccn(C)c1C)C2	ZINC001112525218	803484032	/nfs/dbraw/zinc/48/40/32/803484032.db2.gz	GYGLKLWGGWCKDA-WJPUGNRLSA-N	1	0	370.497	1.303	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC000976554302	803515698	/nfs/dbraw/zinc/51/56/98/803515698.db2.gz	WMLMXFOXGKCKPQ-ZACQAIPSSA-N	1	0	357.458	1.528	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)C2)cc1	ZINC000976692606	803721948	/nfs/dbraw/zinc/72/19/48/803721948.db2.gz	OQOVQMKQXUANOZ-GUDVDZBRSA-N	1	0	353.466	1.777	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)C[NH+]1CCCC1	ZINC000977775493	804921850	/nfs/dbraw/zinc/92/18/50/804921850.db2.gz	NSMNRABCBIJJQK-LNLFQRSKSA-N	1	0	363.502	1.513	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]2CN(C)C(=O)[C@@H]2C[C@H]2C2CC2)CC1	ZINC000977792314	804937977	/nfs/dbraw/zinc/93/79/77/804937977.db2.gz	PNQHZWISYALBBZ-CEXWTWQISA-N	1	0	357.498	1.437	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCN2C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC000977806695	804970418	/nfs/dbraw/zinc/97/04/18/804970418.db2.gz	JYPLIFQACSICBY-YQQAZPJKSA-N	1	0	357.458	1.290	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]2CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1	ZINC000977817266	804980242	/nfs/dbraw/zinc/98/02/42/804980242.db2.gz	NMYOQCOKUBUBFT-FHLIZLRMSA-N	1	0	354.454	1.076	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCO[C@H]3c3nccn3C)[C@@H]2C1	ZINC000978288297	805326158	/nfs/dbraw/zinc/32/61/58/805326158.db2.gz	DIQXYWSYHITUMO-HSFUPAIVSA-N	1	0	356.470	1.205	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3OCCO[C@@H]3c3ccccc3)[C@@H]2C1	ZINC000978284153	805335524	/nfs/dbraw/zinc/33/55/24/805335524.db2.gz	SSSZQTKABFMTIG-OUUBHVDSSA-N	1	0	354.450	1.460	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC23CC3)C[C@H]1c1ccccc1	ZINC001211680166	805501611	/nfs/dbraw/zinc/50/16/11/805501611.db2.gz	JVEXWPITWUXRAA-RCCFBDPRSA-N	1	0	351.450	1.120	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1	ZINC000423451686	815081583	/nfs/dbraw/zinc/08/15/83/815081583.db2.gz	ITFGUZHQEBPUMU-RBUKOAKNSA-N	1	0	367.449	1.790	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(CCC(N)=O)cc1)C2	ZINC001112527595	805554555	/nfs/dbraw/zinc/55/45/55/805554555.db2.gz	MZGFJRVOCVSLSV-UGKGYDQZSA-N	1	0	367.493	1.960	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(CF)CC1)C2	ZINC001112527671	805561580	/nfs/dbraw/zinc/56/15/80/805561580.db2.gz	QXAQFJFUMPKHOS-VCBZYWHSSA-N	1	0	351.466	1.645	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(CCC(N)=O)cc1)C2	ZINC001112527648	805568410	/nfs/dbraw/zinc/56/84/10/805568410.db2.gz	PRTMTTYSFLZJRB-RXVVDRJESA-N	1	0	353.466	1.570	20	30		FDEDRO
N#CCNC[C@]12CCC[C@H]1CN(C(=O)c1cc(CN3CCCC3)on1)C2	ZINC001112531288	807001674	/nfs/dbraw/zinc/00/16/74/807001674.db2.gz	PNBSJJYKCCDCGC-KXBFYZLASA-N	1	0	357.458	1.626	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1	ZINC000423533519	815104800	/nfs/dbraw/zinc/10/48/00/815104800.db2.gz	XSBSSLVOXFRIKN-HCXYKTFWSA-N	1	0	366.465	1.353	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1	ZINC000423534067	815106234	/nfs/dbraw/zinc/10/62/34/815106234.db2.gz	ZKKQHUZTHGYSTG-LQWHRVPQSA-N	1	0	366.465	1.497	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1	ZINC000423559538	815116236	/nfs/dbraw/zinc/11/62/36/815116236.db2.gz	NVPYIBSUZIYRNF-QGTPRVQTSA-N	1	0	370.453	1.044	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCc2cnn(C)c2)C1	ZINC001112532713	807513382	/nfs/dbraw/zinc/51/33/82/807513382.db2.gz	RURYDZADVNCYTI-JTJHWIPRSA-N	1	0	372.513	1.772	20	30		FDEDRO
N#Cc1cccc([C@H]2CN(C(=O)C(=O)N3CCC[C@H](CC[NH3+])C3)CCO2)c1	ZINC000423549353	815128404	/nfs/dbraw/zinc/12/84/04/815128404.db2.gz	DDCWNZNRYOGWEH-CRAIPNDOSA-N	1	0	370.453	1.046	20	30		FDEDRO
C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC1	ZINC000423550876	815128659	/nfs/dbraw/zinc/12/86/59/815128659.db2.gz	FYGGSAKJAIVMRR-HNNXBMFYSA-N	1	0	366.465	1.760	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1	ZINC000981111593	807569635	/nfs/dbraw/zinc/56/96/35/807569635.db2.gz	TZTQDOSSUOZCTP-IJEWVQPXSA-N	1	0	357.458	1.385	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn(CCOCC)c2)C[C@H]1c1ccccc1	ZINC001211698280	807784326	/nfs/dbraw/zinc/78/43/26/807784326.db2.gz	GFXFMTFVCWSYKB-VQTJNVASSA-N	1	0	366.465	1.751	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@]2(CNC(=O)C2)C1	ZINC000278970163	807942561	/nfs/dbraw/zinc/94/25/61/807942561.db2.gz	XUNMBOBNDFCWMP-AUUYWEPGSA-N	1	0	358.417	1.673	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000981465212	808064098	/nfs/dbraw/zinc/06/40/98/808064098.db2.gz	IAPLIWPQVNSLOW-OCVGTWLNSA-N	1	0	357.458	1.241	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC000981465297	808064935	/nfs/dbraw/zinc/06/49/35/808064935.db2.gz	KUFKEBCCTZRXBQ-WTLGNFPFSA-N	1	0	368.481	1.418	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@H]3CC34CCC4)C2)CC1	ZINC000981544883	808116068	/nfs/dbraw/zinc/11/60/68/808116068.db2.gz	UKDVXRQEXTXVHR-QXAKKESOSA-N	1	0	371.525	1.923	20	30		FDEDRO
C[NH+](C)CC(=O)N1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1	ZINC000279059887	808231220	/nfs/dbraw/zinc/23/12/20/808231220.db2.gz	RXCWZFLGAGWTJK-UHFFFAOYSA-N	1	0	367.409	1.059	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)C[C@H]1c1ccccc1	ZINC000423689864	815207684	/nfs/dbraw/zinc/20/76/84/815207684.db2.gz	ZTPHLAXWZQGJON-JQHSSLGASA-N	1	0	354.454	1.340	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1	ZINC000423724797	815214861	/nfs/dbraw/zinc/21/48/61/815214861.db2.gz	INHWUZRTCSVDOO-MOPGFXCFSA-N	1	0	368.481	1.897	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)C2	ZINC001112533322	808668803	/nfs/dbraw/zinc/66/88/03/808668803.db2.gz	BZBFFURNOJESLQ-HUUJSLGLSA-N	1	0	370.497	1.392	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1	ZINC001087437192	808929130	/nfs/dbraw/zinc/92/91/30/808929130.db2.gz	FIGLRGRMXZERQU-ZJPYXAASSA-N	1	0	357.454	1.180	20	30		FDEDRO
COCCN(Cc1cn(CCC#N)nc1-c1ccncc1)[C@H](C)C(N)=O	ZINC000279415385	808983064	/nfs/dbraw/zinc/98/30/64/808983064.db2.gz	OKBGRXAXAWQCFK-CQSZACIVSA-N	1	0	356.430	1.181	20	30		FDEDRO
COc1ccc(CN2C[C@@H]3CCN(C(=O)[C@H]4CCC[N@@H+]4C)[C@@H]3C2)cc1C#N	ZINC001075613339	809053466	/nfs/dbraw/zinc/05/34/66/809053466.db2.gz	AEPOTZXOQKXSEQ-QXAKKESOSA-N	1	0	368.481	1.694	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1	ZINC001087439519	809102937	/nfs/dbraw/zinc/10/29/37/809102937.db2.gz	BTSMHYGFONGLJG-IAGOWNOFSA-N	1	0	355.438	1.200	20	30		FDEDRO
C[C@H](CCC[NH3+])NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000418701660	809141560	/nfs/dbraw/zinc/14/15/60/809141560.db2.gz	KKAOGUBMHZHURM-CQSZACIVSA-N	1	0	369.473	1.685	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1c1ccccc1	ZINC001211722337	809306515	/nfs/dbraw/zinc/30/65/15/809306515.db2.gz	GFYKCVSEQZAIMW-HLAWJBBLSA-N	1	0	369.509	1.562	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCN2CCCC2=O)C[C@H]1c1ccccc1	ZINC001211724100	809339069	/nfs/dbraw/zinc/33/90/69/809339069.db2.gz	MEJGFFNTWDORKV-RBUKOAKNSA-N	1	0	353.466	1.606	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CN2CCC(=O)NC2=O)C1	ZINC001087441705	809488555	/nfs/dbraw/zinc/48/85/55/809488555.db2.gz	VQSNYECSXKYEGJ-IAGOWNOFSA-N	1	0	370.453	1.089	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)c1	ZINC000419078782	809537986	/nfs/dbraw/zinc/53/79/86/809537986.db2.gz	LOZRQKCLQNVWQA-ROUUACIJSA-N	1	0	354.454	1.555	20	30		FDEDRO
[NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000419104676	809573357	/nfs/dbraw/zinc/57/33/57/809573357.db2.gz	AYYWJXURJWGCHG-OAHLLOKOSA-N	1	0	367.371	1.513	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@H](C)[NH2+]1	ZINC000419112336	809583827	/nfs/dbraw/zinc/58/38/27/809583827.db2.gz	JYQUGQCHDGNHFF-STQMWFEESA-N	1	0	367.371	1.382	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)N2CCCCC2=O)C[C@H]1c1ccccc1	ZINC001211729629	809674237	/nfs/dbraw/zinc/67/42/37/809674237.db2.gz	FPHKCPDBCPNGKO-YZGWKJHDSA-N	1	0	367.493	1.995	20	30		FDEDRO
C[N@H+]1C[C@H]2CN(C(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)C[C@H]2C1	ZINC000893958182	809834202	/nfs/dbraw/zinc/83/42/02/809834202.db2.gz	ZAUWKWGTISPIBG-OQSMONGASA-N	1	0	369.469	1.846	20	30		FDEDRO
CCOC(=O)COc1cc(Cl)c(NC(=N)SCC[NH3+])nc1C#N	ZINC001167909519	809858103	/nfs/dbraw/zinc/85/81/03/809858103.db2.gz	JLOJEKRBVCDWHG-UHFFFAOYSA-N	1	0	357.823	1.587	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCOCCO)C1	ZINC001211736135	809925342	/nfs/dbraw/zinc/92/53/42/809925342.db2.gz	JKJIITFMHCBHBN-YTQUADARSA-N	1	0	362.470	1.171	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1	ZINC000410902939	809960139	/nfs/dbraw/zinc/96/01/39/809960139.db2.gz	ANQALPYCLDJAKO-MSOLQXFVSA-N	1	0	365.518	1.760	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C2CN(C(C)=O)C2)C1	ZINC001087454977	810054600	/nfs/dbraw/zinc/05/46/00/810054600.db2.gz	UNDHJSPRAUCEPZ-WOJBJXKFSA-N	1	0	371.456	1.601	20	30		FDEDRO
C=CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1	ZINC001087457642	810204264	/nfs/dbraw/zinc/20/42/64/810204264.db2.gz	LGOOQEIQXXWFDA-HLIPFELVSA-N	1	0	359.445	1.955	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H]1CCOC[C@@H]1C	ZINC000433138134	810204324	/nfs/dbraw/zinc/20/43/24/810204324.db2.gz	QYNGIZXWQCDVJR-SUMWQHHRSA-N	1	0	362.474	1.966	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(N(C)C)c2)C[C@H]1OC	ZINC001212178239	810242406	/nfs/dbraw/zinc/24/24/06/810242406.db2.gz	ODFIHEHHKUJUPN-GGPKGHCWSA-N	1	0	361.486	1.395	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000937182136	810245502	/nfs/dbraw/zinc/24/55/02/810245502.db2.gz	YSTXROJSLKLHIR-YQQAZPJKSA-N	1	0	357.458	1.290	20	30		FDEDRO
Cc1cc(C[NH3+])cc(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1	ZINC000424442285	815355000	/nfs/dbraw/zinc/35/50/00/815355000.db2.gz	YBMDZJYNUQOODJ-AWEZNQCLSA-N	1	0	365.441	1.858	20	30		FDEDRO
C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C[C@@]2(C)C1	ZINC000982553419	810315109	/nfs/dbraw/zinc/31/51/09/810315109.db2.gz	KXRUAIPLZLBVHG-ACZWYYKOSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2nc(C3CC3)no2)C1	ZINC001028549743	810618781	/nfs/dbraw/zinc/61/87/81/810618781.db2.gz	WXYKTHUAYXMCKK-IMJJTQAJSA-N	1	0	360.458	1.866	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)CC1	ZINC000067232798	810686052	/nfs/dbraw/zinc/68/60/52/810686052.db2.gz	KYHRRSZTVICOHB-UHFFFAOYSA-N	1	0	368.481	1.358	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1ccccc1OC	ZINC001167927513	810755648	/nfs/dbraw/zinc/75/56/48/810755648.db2.gz	QMBKFDYQRWGNAC-BHYGNILZSA-N	1	0	357.454	1.033	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)C1=O	ZINC001167928077	810771505	/nfs/dbraw/zinc/77/15/05/810771505.db2.gz	YXJHMZVKJBIPQW-IPMKNSEASA-N	1	0	371.481	1.682	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)CCc4nnc[nH]4)[C@@H]3C2)c1	ZINC001075662101	810950760	/nfs/dbraw/zinc/95/07/60/810950760.db2.gz	SRRGPZDHXPCHMX-DLBZAZTESA-N	1	0	350.426	1.342	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2CCNC2=O)CCCC1	ZINC001111522554	811141216	/nfs/dbraw/zinc/14/12/16/811141216.db2.gz	GKCHDGNFYKYPHI-ZACQAIPSSA-N	1	0	360.502	1.870	20	30		FDEDRO
C#CCN(C(=O)c1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000729332070	811148238	/nfs/dbraw/zinc/14/82/38/811148238.db2.gz	JOQQSSXJFWWSFO-LJQANCHMSA-N	1	0	374.506	1.935	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1	ZINC000729335021	811152532	/nfs/dbraw/zinc/15/25/32/811152532.db2.gz	GMMJKWAENHVSQY-MOPGFXCFSA-N	1	0	374.506	1.548	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)nn1	ZINC000424746735	815425710	/nfs/dbraw/zinc/42/57/10/815425710.db2.gz	FCIKCZJSZLBKOO-IRXDYDNUSA-N	1	0	355.442	1.219	20	30		FDEDRO
CC#CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C2CN(C(C)=O)C2)C1	ZINC001087464410	811201294	/nfs/dbraw/zinc/20/12/94/811201294.db2.gz	HLOVVTZWFKPVKE-WOJBJXKFSA-N	1	0	371.456	1.601	20	30		FDEDRO
COc1ccccc1CCC[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1	ZINC001083392527	811207123	/nfs/dbraw/zinc/20/71/23/811207123.db2.gz	MWBAALKMZHFGGO-MSOLQXFVSA-N	1	0	368.437	1.303	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C3CC3)C[C@@H]2O)c1	ZINC001083392362	811207684	/nfs/dbraw/zinc/20/76/84/811207684.db2.gz	DVYDHYVVNPFSDQ-MOPGFXCFSA-N	1	0	350.422	1.739	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC#Cc2cccc(F)c2)CC1=O	ZINC000513212939	811288926	/nfs/dbraw/zinc/28/89/26/811288926.db2.gz	BDBZCTXRCCUPIL-PKOBYXMFSA-N	1	0	371.456	1.626	20	30		FDEDRO
Cc1nnc(CNC(N[C@H]2CCN(c3ccccc3)C2)=[NH+]C2CC2)n1C	ZINC000261935713	811347681	/nfs/dbraw/zinc/34/76/81/811347681.db2.gz	CIMUOAVIDKJXOL-INIZCTEOSA-N	1	0	353.474	1.600	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCCN2C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC000937359436	811349372	/nfs/dbraw/zinc/34/93/72/811349372.db2.gz	SGTPCYHHDCAFAX-OKZBNKHCSA-N	1	0	371.485	1.728	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCCCC2)N1CCC(OCC2CC2)CC1	ZINC000261794307	811532037	/nfs/dbraw/zinc/53/20/37/811532037.db2.gz	GIMKNFLETUIDPF-UHFFFAOYSA-N	1	0	360.506	1.971	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)O1	ZINC001028628670	811654325	/nfs/dbraw/zinc/65/43/25/811654325.db2.gz	XPGIJSXTEQFQNQ-CKEIUWERSA-N	1	0	362.499	1.277	20	30		FDEDRO
N#Cc1ncccc1S(=O)(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1	ZINC000280199784	811745643	/nfs/dbraw/zinc/74/56/43/811745643.db2.gz	FWNJVJVQPUZTHX-CALCHBBNSA-N	1	0	368.462	1.706	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC(n2cnc(C#N)n2)CC1	ZINC000366330050	811848019	/nfs/dbraw/zinc/84/80/19/811848019.db2.gz	SLZSCYYXPNMWHF-HUUCEWRRSA-N	1	0	359.478	1.617	20	30		FDEDRO
N#Cc1cccc(CCNC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)c1	ZINC000419710823	812101753	/nfs/dbraw/zinc/10/17/53/812101753.db2.gz	REUWAARSOIGECR-MOPGFXCFSA-N	1	0	368.481	1.598	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C	ZINC000420093018	813469167	/nfs/dbraw/zinc/46/91/67/813469167.db2.gz	CNFOZZHEWKNYAZ-BBRMVZONSA-N	1	0	360.414	1.224	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C	ZINC000420151133	813511763	/nfs/dbraw/zinc/51/17/63/813511763.db2.gz	XYMDENOLMKGJAS-XJKSGUPXSA-N	1	0	360.414	1.224	20	30		FDEDRO
C=CCn1c(C)cc(C(=O)CN2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1C	ZINC000420388196	813639803	/nfs/dbraw/zinc/63/98/03/813639803.db2.gz	WYXOSAACKBELGM-QGZVFWFLSA-N	1	0	356.474	1.861	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H]3CCN(C(=O)[C@H]4CCNC(=O)C4)[C@@H]3C2)s1	ZINC001075683700	813662949	/nfs/dbraw/zinc/66/29/49/813662949.db2.gz	HLYREZDXUPYMML-HEHGZKQESA-N	1	0	358.467	1.179	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)NCc3ccc(C#N)s3)ccn2)CC1	ZINC000420789271	813817739	/nfs/dbraw/zinc/81/77/39/813817739.db2.gz	DSDRUSVSCYPGDQ-UHFFFAOYSA-N	1	0	370.482	1.766	20	30		FDEDRO
CC[C@@H](CNC(=O)C(=O)NCC(C)(C)CC#N)[N@@H+]1CCc2ccccc2C1	ZINC000421519511	814179126	/nfs/dbraw/zinc/17/91/26/814179126.db2.gz	WMMKPQDJJBMMPG-SFHVURJKSA-N	1	0	370.497	1.996	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@H](CO)[C@@H]1C)C(C)C	ZINC000421742622	814288694	/nfs/dbraw/zinc/28/86/94/814288694.db2.gz	SNMBSWNIXOYWRB-RCCFBDPRSA-N	1	0	365.518	1.421	20	30		FDEDRO
CC[C@@H]1C[N@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C[C@@H]1O	ZINC000271985083	814535296	/nfs/dbraw/zinc/53/52/96/814535296.db2.gz	FEQXVWBFSQEXRH-LZQZEXGQSA-N	1	0	374.460	1.237	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCC1([NH+](C)C)CCCC1	ZINC000272520861	814737695	/nfs/dbraw/zinc/73/76/95/814737695.db2.gz	JWVWYTFUKIWGFW-CQSZACIVSA-N	1	0	358.442	1.907	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CS1	ZINC000422510500	814825572	/nfs/dbraw/zinc/82/55/72/814825572.db2.gz	RJWOQJQUMGWWBW-WMLDXEAASA-N	1	0	374.510	1.459	20	30		FDEDRO
C=CC[C@]1(C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2C)CCCN1C(=O)OC(C)(C)C	ZINC000924981708	815658558	/nfs/dbraw/zinc/65/85/58/815658558.db2.gz	LQFKDBQRZFLUOC-QMTMVMCOSA-N	1	0	367.490	1.513	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCC[C@@H](C)C1	ZINC001167956844	815829943	/nfs/dbraw/zinc/82/99/43/815829943.db2.gz	LEIWWDWODMGVKP-AOIWGVFYSA-N	1	0	365.518	1.712	20	30		FDEDRO
N#Cc1cccc(C2(C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)CC2)c1	ZINC000435005327	815877283	/nfs/dbraw/zinc/87/72/83/815877283.db2.gz	OABKEUCZSAETMC-UHFFFAOYSA-N	1	0	366.465	1.356	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NCCCC	ZINC001167957312	815889350	/nfs/dbraw/zinc/88/93/50/815889350.db2.gz	VDTDODGIZFSLQV-ULQDDVLXSA-N	1	0	353.507	1.758	20	30		FDEDRO
COCC[NH+]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1	ZINC000435134151	815919526	/nfs/dbraw/zinc/91/95/26/815919526.db2.gz	VRSUVYUYZIUGMU-UHFFFAOYSA-N	1	0	354.458	1.623	20	30		FDEDRO
Cc1oc(C#N)cc1C(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1	ZINC000436065786	816319727	/nfs/dbraw/zinc/31/97/27/816319727.db2.gz	PSXIWSYPOZNWML-UHFFFAOYSA-N	1	0	353.382	1.495	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)CCCN1C(=O)c2ccccc2C1=O	ZINC000425547048	816514987	/nfs/dbraw/zinc/51/49/87/816514987.db2.gz	SPVJJOZZHUWIEJ-HXUWFJFHSA-N	1	0	370.453	1.659	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(C(F)(F)F)nn2C)CC1	ZINC000664593056	816813912	/nfs/dbraw/zinc/81/39/12/816813912.db2.gz	YVRNAHSTORIBNI-UHFFFAOYSA-N	1	0	373.379	1.534	20	30		FDEDRO
C=CCn1cc(CNC(=O)Nc2cccc(N3CC[NH+](CC)CC3)c2)nn1	ZINC000425668529	816838598	/nfs/dbraw/zinc/83/85/98/816838598.db2.gz	LYQMTRVJGPWANY-UHFFFAOYSA-N	1	0	369.473	1.928	20	30		FDEDRO
C=CCn1cc(CNC(=O)C(=O)Nc2ccc(C[NH+](CC)CC)cc2)nn1	ZINC000425795263	817033798	/nfs/dbraw/zinc/03/37/98/817033798.db2.gz	HGNSRTIATQNRHG-UHFFFAOYSA-N	1	0	370.457	1.561	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1	ZINC000425795534	817039202	/nfs/dbraw/zinc/03/92/02/817039202.db2.gz	JHVQRZKHSLNDHR-HKUYNNGSSA-N	1	0	371.481	1.971	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC000425870227	817271396	/nfs/dbraw/zinc/27/13/96/817271396.db2.gz	LCECMAQSHOEOER-ZTFGCOKTSA-N	1	0	354.454	1.821	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H](C)N1CCc2ccccc2C1	ZINC000425889651	817311344	/nfs/dbraw/zinc/31/13/44/817311344.db2.gz	VDWCDTWVTWDRGI-IEZWGBDMSA-N	1	0	371.481	1.257	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1	ZINC000425909979	817365439	/nfs/dbraw/zinc/36/54/39/817365439.db2.gz	SAOOTSMZBRUAKW-HZPDHXFCSA-N	1	0	356.470	1.926	20	30		FDEDRO
Cc1ccc(NC(=O)C(=O)N[C@@H](C)CC#N)cc1NC(=O)CC[NH+](C)C	ZINC000438870090	817780209	/nfs/dbraw/zinc/78/02/09/817780209.db2.gz	KGCSOHLCPOMDQT-ZDUSSCGKSA-N	1	0	359.430	1.242	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1C#N	ZINC000518354726	817850180	/nfs/dbraw/zinc/85/01/80/817850180.db2.gz	PWYRSWJSIIPGHT-UHFFFAOYSA-N	1	0	373.413	1.711	20	30		FDEDRO
Cc1nnc(CNC(=[NH+]C2CC2)N2CCN(c3cc(C)ccn3)CC2)n1C	ZINC000261972181	817871062	/nfs/dbraw/zinc/87/10/62/817871062.db2.gz	NCSZXNUZJIUDBY-UHFFFAOYSA-N	1	0	368.489	1.257	20	30		FDEDRO
COc1ccc(C[NH+]2CCC(CNC(=O)Cn3cnc(C#N)n3)CC2)cc1	ZINC000426430006	818003710	/nfs/dbraw/zinc/00/37/10/818003710.db2.gz	LZUOKWOXYMJDRN-UHFFFAOYSA-N	1	0	368.441	1.187	20	30		FDEDRO
CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCn2cnc(C#N)n2)C[C@@H]1C(F)(F)F	ZINC000894419438	818035049	/nfs/dbraw/zinc/03/50/49/818035049.db2.gz	DNRMYEUHVHHCCT-UTUOFQBUSA-N	1	0	359.352	1.650	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2COCCO2)C1	ZINC001087472691	818174725	/nfs/dbraw/zinc/17/47/25/818174725.db2.gz	SAJOMBJVGSBGNO-FHWLQOOXSA-N	1	0	360.454	1.571	20	30		FDEDRO
C#CCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1	ZINC001087473291	818210348	/nfs/dbraw/zinc/21/03/48/818210348.db2.gz	XBOJWCDOIXCTBD-UFYCRDLUSA-N	1	0	355.482	1.697	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1	ZINC001087474062	818245745	/nfs/dbraw/zinc/24/57/45/818245745.db2.gz	KGRLXVIVAQCPSU-BZSNNMDCSA-N	1	0	371.437	1.101	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCc2ncnn2C)C1	ZINC001112148164	818270962	/nfs/dbraw/zinc/27/09/62/818270962.db2.gz	FCNBJNDEZUDCKX-CHWSQXEVSA-N	1	0	357.380	1.488	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001087475943	818340232	/nfs/dbraw/zinc/34/02/32/818340232.db2.gz	LGZGQYSQTXXUSN-RDGPPVDQSA-N	1	0	371.481	1.667	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1	ZINC001087476455	818377369	/nfs/dbraw/zinc/37/73/69/818377369.db2.gz	NNXHIBGJNWJMAI-FHWLQOOXSA-N	1	0	369.465	1.271	20	30		FDEDRO
CCn1nncc1C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001075765228	818409034	/nfs/dbraw/zinc/40/90/34/818409034.db2.gz	GSIXIQUKQXRLQK-FUHWJXTLSA-N	1	0	350.426	1.516	20	30		FDEDRO
C[C@H]1[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)CC[N@@H+]1C	ZINC000928436614	818570129	/nfs/dbraw/zinc/57/01/29/818570129.db2.gz	VCMCVNBPHDIUMV-IINYFYTJSA-N	1	0	352.232	1.908	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnc(C)s2)C1	ZINC000983698795	818606756	/nfs/dbraw/zinc/60/67/56/818606756.db2.gz	QTTXUIHQCVLPNQ-TUVASFSCSA-N	1	0	350.488	1.812	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)C[C@H]1[NH+](C)C	ZINC000473878613	818954390	/nfs/dbraw/zinc/95/43/90/818954390.db2.gz	SSMAJUFCCZDSLW-ZTFGCOKTSA-N	1	0	354.454	1.458	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)C[C@@H]1[NH+](C)C	ZINC000473878611	818954493	/nfs/dbraw/zinc/95/44/93/818954493.db2.gz	SSMAJUFCCZDSLW-OLMNPRSZSA-N	1	0	354.454	1.458	20	30		FDEDRO
N#Cc1cc2c(n(C[C@H]3COCCO3)c1=O)CC[N@@H+](Cc1ccccc1)C2	ZINC000519642142	818994789	/nfs/dbraw/zinc/99/47/89/818994789.db2.gz	GBQOYTNFGVAJTM-IBGZPJMESA-N	1	0	365.433	1.694	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]Cc2cccc(C(=O)NC3CC3)c2)cc1	ZINC000519817924	819074246	/nfs/dbraw/zinc/07/42/46/819074246.db2.gz	IPWOKTNHOLFIAV-IBGZPJMESA-N	1	0	365.433	1.980	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2OCCN(CC(=O)N[C@@H](C)C(=O)N3CCCCC3)[C@H]2C1	ZINC000328747735	819543330	/nfs/dbraw/zinc/54/33/30/819543330.db2.gz	BAYRDDBCKGGJMX-YESZJQIVSA-N	1	0	366.506	1.139	20	30		FDEDRO
O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)N1CCC(NC(=O)c2ccccc2)CC1	ZINC000328833327	819560945	/nfs/dbraw/zinc/56/09/45/819560945.db2.gz	RTERFENJCYBJHZ-LJQANCHMSA-N	1	0	370.497	1.762	20	30		FDEDRO
CC[C@H](NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)C(=O)N1CCOCC1	ZINC000328867649	819571108	/nfs/dbraw/zinc/57/11/08/819571108.db2.gz	OIRCCAQPXXECCB-IRXDYDNUSA-N	1	0	366.506	1.202	20	30		FDEDRO
Cc1noc([C@H]2CCN(C(=O)NCC3([NH+]4CCCC4)CCOCC3)C2)n1	ZINC000328936052	819583952	/nfs/dbraw/zinc/58/39/52/819583952.db2.gz	ANZPKSLARWXHEP-HNNXBMFYSA-N	1	0	363.462	1.726	20	30		FDEDRO
CC(C)C(=O)N[C@@H]1CCCN(CC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)C1	ZINC000330432236	819615468	/nfs/dbraw/zinc/61/54/68/819615468.db2.gz	WZUZLFAHBDZLDT-BZUAXINKSA-N	1	0	366.506	1.832	20	30		FDEDRO
CC[C@H]1CN(C(=O)Nc2ccnc(C(=O)N(C)C)c2)CC[N@@H+]1C[C@H](C)O	ZINC000331140687	819666576	/nfs/dbraw/zinc/66/65/76/819666576.db2.gz	KFFFAGPUBLLBMA-ZFWWWQNUSA-N	1	0	363.462	1.106	20	30		FDEDRO
CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000331168905	819668469	/nfs/dbraw/zinc/66/84/69/819668469.db2.gz	TUZXMKDRGATGTN-HOTGVXAUSA-N	1	0	368.522	1.494	20	30		FDEDRO
CNC(=O)c1ccc(CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cc1	ZINC000331213756	819670772	/nfs/dbraw/zinc/67/07/72/819670772.db2.gz	ASPSZVUWVXEXQG-AWEZNQCLSA-N	1	0	362.474	1.237	20	30		FDEDRO
CC(C)(C)OC(=O)NCC1(CN2CCN(C(=O)CC#N)CC2)CCC1	ZINC000895066047	819843516	/nfs/dbraw/zinc/84/35/16/819843516.db2.gz	NJMYJPSXZAIULU-UHFFFAOYSA-N	1	0	350.463	1.739	20	30		FDEDRO
C[C@H](Cc1cnn(C)c1)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000459068186	819913579	/nfs/dbraw/zinc/91/35/79/819913579.db2.gz	MYYNEQAIODMDBD-MRXNPFEDSA-N	1	0	368.485	1.996	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1	ZINC000983927812	820123959	/nfs/dbraw/zinc/12/39/59/820123959.db2.gz	ZEZMKWQQQCSWHP-ZBFHGGJFSA-N	1	0	369.469	1.339	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)[C@H]2CCC[N@@H+]2C)nc1	ZINC000983946687	820256354	/nfs/dbraw/zinc/25/63/54/820256354.db2.gz	XGYXGAZGACJYMS-HHXXYDBFSA-N	1	0	368.481	1.514	20	30		FDEDRO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cc(C#N)ccc1Br	ZINC000895116488	820497820	/nfs/dbraw/zinc/49/78/20/820497820.db2.gz	XKRWRMRPDMZERE-GFCCVEGCSA-N	1	0	365.275	1.873	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccnn1C	ZINC001029311910	820536519	/nfs/dbraw/zinc/53/65/19/820536519.db2.gz	GVROCKHVDJFDBY-HCXYKTFWSA-N	1	0	358.486	1.619	20	30		FDEDRO
C=C[C@H]1CCCCN1C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1	ZINC000427706159	820769315	/nfs/dbraw/zinc/76/93/15/820769315.db2.gz	LUMVLAWNACCHSU-IBGZPJMESA-N	1	0	370.497	1.940	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(Cc4ccccc4C#N)C[C@H]32)CC[N@@H+]1C	ZINC001075809213	820968605	/nfs/dbraw/zinc/96/86/05/820968605.db2.gz	ZLSKSTSPUHCAHX-XWPNQZOQSA-N	1	0	352.482	1.931	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H](C)n2cncn2)CCN1Cc1ccccc1C#N	ZINC001087546893	821278210	/nfs/dbraw/zinc/27/82/10/821278210.db2.gz	KWLDONJZBWLGJF-JCGIZDLHSA-N	1	0	352.442	1.880	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(CC#Cc4ccccc4)C[C@H]32)CC[N@@H+]1C	ZINC001075812122	821495565	/nfs/dbraw/zinc/49/55/65/821495565.db2.gz	WNDKQCATCKRFTE-GFOJFJKKSA-N	1	0	351.494	1.911	20	30		FDEDRO
C#C[C@H]1CCC[N@@H+](Cc2cn(CC(=O)OCC)nc2-c2cnn(C)c2)C1	ZINC000895184638	821567541	/nfs/dbraw/zinc/56/75/41/821567541.db2.gz	VGOXUSIMDMNGKZ-HNNXBMFYSA-N	1	0	355.442	1.692	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087576048	821578600	/nfs/dbraw/zinc/57/86/00/821578600.db2.gz	LHKOABYQJIMBGE-ZWQIFLOQSA-N	1	0	368.481	1.942	20	30		FDEDRO
C[C@@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)[C@@H]1CCS(=O)(=O)C1	ZINC000895186828	821582835	/nfs/dbraw/zinc/58/28/35/821582835.db2.gz	CMEITBQXVMFGDS-CRAIPNDOSA-N	1	0	361.511	1.935	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC(=O)N(CC)C2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087592162	821633292	/nfs/dbraw/zinc/63/32/92/821633292.db2.gz	DDCCTRVQHSWNGV-CEXWTWQISA-N	1	0	368.481	1.896	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCC(=O)NC2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087599165	821675520	/nfs/dbraw/zinc/67/55/20/821675520.db2.gz	QAKFFULKOSWJGX-CEXWTWQISA-N	1	0	368.481	1.944	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2CC)CC1	ZINC001105396445	821688871	/nfs/dbraw/zinc/68/88/71/821688871.db2.gz	LSBMREZVAMPQBM-YVWKXTFCSA-N	1	0	371.525	1.875	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCn2nc(C)cc2C)[C@@H]1CC	ZINC001087607015	821713259	/nfs/dbraw/zinc/71/32/59/821713259.db2.gz	GCOCPXKCDSDGPP-ZCNNSNEGSA-N	1	0	371.529	1.567	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cnc[nH]c2=O)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087617501	821765106	/nfs/dbraw/zinc/76/51/06/821765106.db2.gz	PCZIPVDARCPQQR-DLBZAZTESA-N	1	0	351.410	1.837	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)[C@H]1CC	ZINC001087624363	821791185	/nfs/dbraw/zinc/79/11/85/821791185.db2.gz	YWHBOGAXMNJMNX-DGAVXFQQSA-N	1	0	350.381	1.878	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](C[C@H]3CCc4ncnn43)[C@@H]2CC)c1	ZINC001087718960	822186244	/nfs/dbraw/zinc/18/62/44/822186244.db2.gz	SQZIWTMURZJROE-FGTMMUONSA-N	1	0	364.453	1.425	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CCn3nc(C)cc3C)[C@@H]2CC)nn1	ZINC001087753979	822368837	/nfs/dbraw/zinc/36/88/37/822368837.db2.gz	JECSLHKPNBGQRF-FUHWJXTLSA-N	1	0	371.489	1.560	20	30		FDEDRO
C=C(Br)CN1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1CC	ZINC001087799400	822454370	/nfs/dbraw/zinc/45/43/70/822454370.db2.gz	SGGDMGPNKGWIJY-UONOGXRCSA-N	1	0	356.308	1.960	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)CC1	ZINC000108709635	822568591	/nfs/dbraw/zinc/56/85/91/822568591.db2.gz	YDKIXDLSHYNXNT-UHFFFAOYSA-N	1	0	354.410	1.022	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CCC(=O)NC[C@@H]2CCCN(CC#N)C2)cc1	ZINC000895411568	822588557	/nfs/dbraw/zinc/58/85/57/822588557.db2.gz	LMBFJRWIRAATLU-IBGZPJMESA-N	1	0	372.513	1.911	20	30		FDEDRO
CCc1nc(C(=O)N[C@@H]2CN(Cc3ccc(OC)c(C#N)c3)C[C@@H]2O)co1	ZINC001083418259	822629334	/nfs/dbraw/zinc/62/93/34/822629334.db2.gz	AEOYCDAUZVHIPD-ZBFHGGJFSA-N	1	0	370.409	1.092	20	30		FDEDRO
N#Cc1c(N[C@H]2CCC[N@@H+]3CCSC[C@H]23)cccc1S(N)(=O)=O	ZINC000895567972	822659134	/nfs/dbraw/zinc/65/91/34/822659134.db2.gz	VEXCLCCHKKUNIZ-UONOGXRCSA-N	1	0	352.485	1.197	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]Cc2cnnn2C)C1	ZINC001088315947	828464881	/nfs/dbraw/zinc/46/48/81/828464881.db2.gz	MLWFEJGMYPNUKM-JQHSSLGASA-N	1	0	361.490	1.657	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCc4ccco4)C[C@@H]3C2)C1=O	ZINC001087882400	822704928	/nfs/dbraw/zinc/70/49/28/822704928.db2.gz	QTAHXKDYMLQAEZ-AOIWGVFYSA-N	1	0	371.481	1.779	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2C(=O)NCC23CCOCC3)cc1OCCCC#N	ZINC000895772300	822736663	/nfs/dbraw/zinc/73/66/63/822736663.db2.gz	CUDLKYWXLCWHSA-GOSISDBHSA-N	1	0	373.453	1.763	20	30		FDEDRO
CN1CC[NH+](CCCCNC(=O)NCCOc2ccc(C#N)cc2)CC1	ZINC000525249087	828532318	/nfs/dbraw/zinc/53/23/18/828532318.db2.gz	WZSHZZUZTCJFIX-UHFFFAOYSA-N	1	0	359.474	1.264	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cncc(C)c4)C[C@@H]3C2)C1=O	ZINC001087919740	823899976	/nfs/dbraw/zinc/89/99/76/823899976.db2.gz	PJESTRNOLIDUSV-NZSAHSFTSA-N	1	0	368.481	1.571	20	30		FDEDRO
COc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]3C2)n1	ZINC001087938612	824017237	/nfs/dbraw/zinc/01/72/37/824017237.db2.gz	CIVXYIAOZBRKEY-CABCVRRESA-N	1	0	365.437	1.884	20	30		FDEDRO
Cn1nncc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3F)CC[C@@H]2C1	ZINC001087953259	824129938	/nfs/dbraw/zinc/12/99/38/824129938.db2.gz	MFPVUUMYIZATEY-ZBFHGGJFSA-N	1	0	368.416	1.420	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](O)C(C)C)C[C@@H]2C1	ZINC001087955619	824143457	/nfs/dbraw/zinc/14/34/57/824143457.db2.gz	XRWBOYTUIUXCCD-IMFGXOCKSA-N	1	0	371.481	1.864	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H]2C[N@H+](C[C@@H](O)Cc3ccccc3)CC[C@@H]2C1	ZINC001087961697	824182010	/nfs/dbraw/zinc/18/20/10/824182010.db2.gz	GEELLNQPOGZEOG-HKBOAZHASA-N	1	0	352.478	1.784	20	30		FDEDRO
C#CCN(C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)C1CCCC1	ZINC000163187959	824199281	/nfs/dbraw/zinc/19/92/81/824199281.db2.gz	OILTVQUCDFTAMB-UHFFFAOYSA-N	1	0	355.486	1.921	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4C=CC=CC=C4)C[C@@H]3C2)C1=O	ZINC001087982208	824353080	/nfs/dbraw/zinc/35/30/80/824353080.db2.gz	SGTVCLRJNPTCCH-HSALFYBXSA-N	1	0	367.493	1.852	20	30		FDEDRO
Cc1noc([C@@H]2CN(C(=O)NC[C@H](C)[N@@H+]3CCC[C@@H](C)C3)CCN2C)n1	ZINC000329015034	824534281	/nfs/dbraw/zinc/53/42/81/824534281.db2.gz	FZLJTZLTZSXHSI-YCPHGPKFSA-N	1	0	364.494	1.701	20	30		FDEDRO
CC(C)OCC[NH+]1CCC(NC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)CC1	ZINC000329063396	824551619	/nfs/dbraw/zinc/55/16/19/824551619.db2.gz	OGADCZBVVMKDRF-ROUUACIJSA-N	1	0	368.522	1.195	20	30		FDEDRO
CN(CC(=O)NC1CCOCC1)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C	ZINC000329112104	824601075	/nfs/dbraw/zinc/60/10/75/824601075.db2.gz	GZCOVJRQMGPSCV-HNAYVOBHSA-N	1	0	363.506	1.870	20	30		FDEDRO
C[N@H+](CCNC(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1)C1CCCC1	ZINC000329120176	824610738	/nfs/dbraw/zinc/61/07/38/824610738.db2.gz	KBYFFWNAAWXRPL-IBGZPJMESA-N	1	0	366.506	1.224	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)CC1	ZINC000329141432	824625177	/nfs/dbraw/zinc/62/51/77/824625177.db2.gz	UHHLPCLQRYIWHM-CVEARBPZSA-N	1	0	367.494	1.092	20	30		FDEDRO
CCC[C@@H]1CN(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)CC[N@@H+]1CCOC	ZINC000329145708	824626105	/nfs/dbraw/zinc/62/61/05/824626105.db2.gz	NWZRWYVCBQGHEJ-ZHALLVOQSA-N	1	0	369.506	1.671	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cn(-c4ccccc4)nn3)CC2)C1=O	ZINC000329189780	824654476	/nfs/dbraw/zinc/65/44/76/824654476.db2.gz	QUJWALSCTMFFKK-QGZVFWFLSA-N	1	0	368.441	1.267	20	30		FDEDRO
Cc1nn(C)c(C)c1CCC(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1	ZINC000329200794	824664926	/nfs/dbraw/zinc/66/49/26/824664926.db2.gz	WKOVTOCUZCZETC-QGZVFWFLSA-N	1	0	361.490	1.621	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)Cc3ccc4c(c3)OCO4)CC2)C1=O	ZINC000329202053	824665399	/nfs/dbraw/zinc/66/53/99/824665399.db2.gz	WVTRIMPLHVGNIY-OAHLLOKOSA-N	1	0	359.426	1.609	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)CC1	ZINC000329243357	824691557	/nfs/dbraw/zinc/69/15/57/824691557.db2.gz	SVVYZAUFOVEVTE-KURKYZTESA-N	1	0	368.522	1.054	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCC(=O)N2CCc3ccccc3C2)C1	ZINC000329263966	824702491	/nfs/dbraw/zinc/70/24/91/824702491.db2.gz	DPTXTQWORZWDPY-RTBURBONSA-N	1	0	370.497	1.901	20	30		FDEDRO
O=C(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)N1CCC2(CC1)CC(=O)C=CO2	ZINC000896609514	824718409	/nfs/dbraw/zinc/71/84/09/824718409.db2.gz	OSUGODCYQLAMPM-HOTGVXAUSA-N	1	0	365.499	1.614	20	30		FDEDRO
C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)cn2)C[C@@H](C)O1	ZINC000329308500	824726813	/nfs/dbraw/zinc/72/68/13/824726813.db2.gz	QELLJRVZKAGNSA-BFYDXBDKSA-N	1	0	373.501	1.936	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)=[NH+]C1CCCC1	ZINC000262288016	824735105	/nfs/dbraw/zinc/73/51/05/824735105.db2.gz	KSOWLDKJCDPKAU-JQHSSLGASA-N	1	0	362.518	1.900	20	30		FDEDRO
O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)N[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000329329569	824738754	/nfs/dbraw/zinc/73/87/54/824738754.db2.gz	YMKPVSHJHDIPCP-IEBWSBKVSA-N	1	0	358.486	1.628	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](NC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)C1	ZINC000329390997	824768043	/nfs/dbraw/zinc/76/80/43/824768043.db2.gz	VDVBYSWEEDEKDD-DLBZAZTESA-N	1	0	366.506	1.141	20	30		FDEDRO
CC(C)[C@H](CNC(=O)N1CCOC[C@@H]1[C@H]1CCCO1)[NH+]1CCN(C)CC1	ZINC000329414877	824777393	/nfs/dbraw/zinc/77/73/93/824777393.db2.gz	CRSFFFDJIPHLFU-RCCFBDPRSA-N	1	0	368.522	1.052	20	30		FDEDRO
COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CC[C@H]([NH+]3CCCC3)[C@@H]1C)CC2	ZINC000329465852	824812467	/nfs/dbraw/zinc/81/24/67/824812467.db2.gz	VTOGNPIXJSEORG-ZNMIVQPWSA-N	1	0	362.478	1.212	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC000984781873	824878386	/nfs/dbraw/zinc/87/83/86/824878386.db2.gz	HJELNAFYOSUSKW-SOLBZPMBSA-N	1	0	369.469	1.337	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@]3(C2)NC(=O)N(C)C3=O)C1	ZINC000329589566	824904436	/nfs/dbraw/zinc/90/44/36/824904436.db2.gz	ZLCFFIVPUOKRJZ-RDTXWAMCSA-N	1	0	365.478	1.099	20	30		FDEDRO
Cn1cc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c(C2CC2)n1	ZINC000329620053	825005579	/nfs/dbraw/zinc/00/55/79/825005579.db2.gz	MMAGJSZCJSVEBF-HNNXBMFYSA-N	1	0	360.462	1.081	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CNC(=O)c4ccccc43)C[C@@H]2C1	ZINC001087996873	825007029	/nfs/dbraw/zinc/00/70/29/825007029.db2.gz	YDBDUUHNHJAOGO-JTDSTZFVSA-N	1	0	353.466	1.870	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(CO)ccc2F)C1	ZINC000984826188	825032879	/nfs/dbraw/zinc/03/28/79/825032879.db2.gz	NNXKEPDGJLNIFU-MYZZLAAOSA-N	1	0	362.445	1.894	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)C1	ZINC000329624812	825043267	/nfs/dbraw/zinc/04/32/67/825043267.db2.gz	SNIUXSWLRFKFKX-SJORKVTESA-N	1	0	360.458	1.611	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(C4CCCC4)CCNC3=O)C[C@@H]2C1	ZINC001087999323	825052617	/nfs/dbraw/zinc/05/26/17/825052617.db2.gz	FYQRRNJOYAXUOD-WWMYMODYSA-N	1	0	357.498	1.487	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)CC[C@@H]2C1	ZINC001087998616	825079414	/nfs/dbraw/zinc/07/94/14/825079414.db2.gz	ROQXNPJFGQDKAL-LDTOTXGLSA-N	1	0	369.465	1.642	20	30		FDEDRO
O=C(c1cn[nH]c(=O)c1)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001088004533	825129783	/nfs/dbraw/zinc/12/97/83/825129783.db2.gz	GEPJKIJPRVFTBA-MJGOQNOKSA-N	1	0	362.433	1.628	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC(=O)NC4)C[C@@H]3C2)c1	ZINC001088021895	825340356	/nfs/dbraw/zinc/34/03/56/825340356.db2.gz	KKCWIYVKBFSVKT-QRVBRYPASA-N	1	0	366.465	1.365	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cn(CC)nn2)C1	ZINC000984904787	825370379	/nfs/dbraw/zinc/37/03/79/825370379.db2.gz	DPPKBBUDKVSIHU-LAQRGFTBSA-N	1	0	361.490	1.654	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[N@@H+]1C	ZINC000329738253	825408488	/nfs/dbraw/zinc/40/84/88/825408488.db2.gz	UCZUWHGWAJCVIJ-ZACQAIPSSA-N	1	0	366.506	1.139	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c(c3)N(C)C(=O)C4)C[C@@H]2C1	ZINC001088029283	825434105	/nfs/dbraw/zinc/43/41/05/825434105.db2.gz	GHBZZTKGJAKFLN-MSOLQXFVSA-N	1	0	351.450	1.623	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(NC(C)=O)cc3)C[C@@H]2C1	ZINC001088030219	825440860	/nfs/dbraw/zinc/44/08/60/825440860.db2.gz	BWIDLBANPSXKAC-MOPGFXCFSA-N	1	0	353.466	1.991	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(OCC(N)=O)cc3)C[C@@H]2C1	ZINC001088033418	825450931	/nfs/dbraw/zinc/45/09/31/825450931.db2.gz	ITJBBMLTQDCKCO-MSOLQXFVSA-N	1	0	371.481	1.911	20	30		FDEDRO
O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC[C@@H]1C[C@H](F)CN1c1cccnn1	ZINC000329927554	825546846	/nfs/dbraw/zinc/54/68/46/825546846.db2.gz	XBRHQKIXMZCFRZ-YCPHGPKFSA-N	1	0	362.453	1.381	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1CC	ZINC000984937440	825569975	/nfs/dbraw/zinc/56/99/75/825569975.db2.gz	VYXSNFKNLLRPAF-BMFAXAFESA-N	1	0	363.502	1.559	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1COc2ccccc2O1	ZINC000329980150	825576838	/nfs/dbraw/zinc/57/68/38/825576838.db2.gz	KTQVLSXTNPFJTR-CVEARBPZSA-N	1	0	362.474	1.356	20	30		FDEDRO
Cc1nn(C)c(-n2ccnc2C)c1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1	ZINC000330009838	825592531	/nfs/dbraw/zinc/59/25/31/825592531.db2.gz	HORGGXDTPNTAMW-AWEZNQCLSA-N	1	0	373.505	1.411	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N3CC[N@H+](C)[C@@H](C(C)C)C3)CC2)o1	ZINC000526029737	828805608	/nfs/dbraw/zinc/80/56/08/828805608.db2.gz	BMQDFYWNRCQIRU-QGZVFWFLSA-N	1	0	359.474	1.870	20	30		FDEDRO
C[C@H](CNC(=O)c1cn([C@@H]2CCOC2)nn1)[N@@H+]1CCc2ccccc2C1	ZINC000330071421	825620404	/nfs/dbraw/zinc/62/04/04/825620404.db2.gz	YBVYTFCPJORYAS-RHSMWYFYSA-N	1	0	355.442	1.991	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cncc(-n4ccnn4)c3)C[C@@H]2C1	ZINC001088052643	825635839	/nfs/dbraw/zinc/63/58/39/825635839.db2.gz	BBBLHONXMKJRTR-WBVHZDCISA-N	1	0	350.426	1.080	20	30		FDEDRO
CCn1cc([C@H]2CN(CC(=O)NC3CC[NH+](C4CC4)CC3)CCO2)cn1	ZINC000330101379	825639107	/nfs/dbraw/zinc/63/91/07/825639107.db2.gz	FMFYHPLDEGLGKT-GOSISDBHSA-N	1	0	361.490	1.860	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3nc(C)n(-c4nc[nH]n4)n3)C[C@@H]2C1	ZINC001088060198	825719324	/nfs/dbraw/zinc/71/93/24/825719324.db2.gz	QPSNSBPFIVHKSJ-CABCVRRESA-N	1	0	370.461	1.054	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](CC(=O)N4CCCC4)CC[C@@H]3C2)cc1	ZINC001088061854	825746553	/nfs/dbraw/zinc/74/65/53/825746553.db2.gz	BJNUDVONPIXCDR-UXHICEINSA-N	1	0	365.477	1.684	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+]([C@H]4CCCN(C)C4=O)CC[C@@H]3C2)cc1	ZINC001088061989	825752210	/nfs/dbraw/zinc/75/22/10/825752210.db2.gz	IIISURHNTRJBQI-AABGKKOBSA-N	1	0	365.477	1.683	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)CC[C@@H]2C1	ZINC001088064811	825788126	/nfs/dbraw/zinc/78/81/26/825788126.db2.gz	WITRGWIMFMSHQO-ZACQAIPSSA-N	1	0	368.543	1.804	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cccn1	ZINC001029507759	825877114	/nfs/dbraw/zinc/87/71/14/825877114.db2.gz	BGRYZNWHJVEBPN-RDGPPVDQSA-N	1	0	358.486	1.930	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(c2nc(=O)[nH][nH]2)CC1	ZINC000281118370	825882839	/nfs/dbraw/zinc/88/28/39/825882839.db2.gz	XHJZZQPYIATTLN-AWEZNQCLSA-N	1	0	368.441	1.613	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+](C)C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)C1=O	ZINC000281428901	825954833	/nfs/dbraw/zinc/95/48/33/825954833.db2.gz	SHGQYAOBVBQXBA-AEFFLSMTSA-N	1	0	356.470	1.733	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]2C1	ZINC001088083632	826221511	/nfs/dbraw/zinc/22/15/11/826221511.db2.gz	BSQYSWZSPBZZLQ-SJORKVTESA-N	1	0	363.421	1.236	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cn(CC)cn2)[C@@H]1CC	ZINC000985049289	826224213	/nfs/dbraw/zinc/22/42/13/826224213.db2.gz	YQYNBEUJAGRVAG-JQHSSLGASA-N	1	0	371.485	1.110	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3nnc4c3CCCC4)C[C@@H]2C1	ZINC001088109417	826428401	/nfs/dbraw/zinc/42/84/01/826428401.db2.gz	DNGMBGQGLOLHIB-SJORKVTESA-N	1	0	357.502	1.903	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H]3C[N@H+]([C@H](CC)C(N)=O)CC[C@@H]3C2)cc1	ZINC001088132736	826570143	/nfs/dbraw/zinc/57/01/43/826570143.db2.gz	DKBSQQCBIRNYIT-ZIFCJYIRSA-N	1	0	369.465	1.356	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+]([C@H](C)c4cnccn4)CC[C@@H]3C2)nn1	ZINC001088132932	826570756	/nfs/dbraw/zinc/57/07/56/826570756.db2.gz	LIJZSYBTLKPMRN-OAGGEKHMSA-N	1	0	367.457	1.409	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)C[C@@H]2C1	ZINC001088137969	826619448	/nfs/dbraw/zinc/61/94/48/826619448.db2.gz	MRFLRCNJARMMFG-AKHDSKFASA-N	1	0	358.486	1.645	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4n[nH]c(=O)n4c3)C[C@@H]2C1	ZINC001088138367	826623262	/nfs/dbraw/zinc/62/32/62/826623262.db2.gz	HMYZWCBXEGAXPF-ZBFHGGJFSA-N	1	0	355.442	1.795	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(C4CCOCC4)nn3)C[C@@H]2C1	ZINC001088163296	826931155	/nfs/dbraw/zinc/93/11/55/826931155.db2.gz	IDKJBDSDPSJYQQ-CVEARBPZSA-N	1	0	357.458	1.047	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](C[C@H]4CCCOC4)CC[C@@H]3C2)cn1	ZINC001088175114	827224113	/nfs/dbraw/zinc/22/41/13/827224113.db2.gz	FTDVAWDDZAEPOY-QRQLOZEOSA-N	1	0	353.466	1.883	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3Cc4ccccc4C3=O)C[C@@H]2C1	ZINC001088175042	827224338	/nfs/dbraw/zinc/22/43/38/827224338.db2.gz	BBDMYQWXOWHLOK-AEFFLSMTSA-N	1	0	353.466	1.999	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C(=O)N(C)C)cc3)C[C@@H]2C1	ZINC001088173814	827252997	/nfs/dbraw/zinc/25/29/97/827252997.db2.gz	ULJIJMXVHYYTPZ-MOPGFXCFSA-N	1	0	353.466	1.806	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]2C[N@H+]([C@@H](CC)C(N)=O)CC[C@@H]2C1	ZINC001088183381	827305982	/nfs/dbraw/zinc/30/59/82/827305982.db2.gz	CXMXPPJTFLTHLQ-QYZOEREBSA-N	1	0	353.466	1.255	20	30		FDEDRO
C=C[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)C)CC[C@@H]2C1)c1ccccc1	ZINC001088209957	827480962	/nfs/dbraw/zinc/48/09/62/827480962.db2.gz	RAYFHKWPABTTPC-CEXWTWQISA-N	1	0	355.482	1.825	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@H]1C	ZINC000987542163	833211555	/nfs/dbraw/zinc/21/15/55/833211555.db2.gz	NJINPNWTNNRAGU-OIISXLGYSA-N	1	0	371.485	1.868	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC2)C1	ZINC001088233879	827597567	/nfs/dbraw/zinc/59/75/67/827597567.db2.gz	CAVDDWACUBQWFX-GUDVDZBRSA-N	1	0	370.497	1.866	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3cc[nH]c3C)[C@H]2C)CC1	ZINC000987556979	833223908	/nfs/dbraw/zinc/22/39/08/833223908.db2.gz	HUPZARYSAFNYDT-QAPCUYQASA-N	1	0	356.470	1.388	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCOC2)C[C@H]1C(F)(F)F	ZINC001112183509	827724185	/nfs/dbraw/zinc/72/41/85/827724185.db2.gz	MJUYWRCQANSDQK-NFAWXSAZSA-N	1	0	350.381	1.595	20	30		FDEDRO
N#CC[C@@H](CC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1	ZINC000475521783	827885191	/nfs/dbraw/zinc/88/51/91/827885191.db2.gz	OGYWLTQYZCRTLY-ZWKOTPCHSA-N	1	0	356.470	1.778	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC000985500828	828053721	/nfs/dbraw/zinc/05/37/21/828053721.db2.gz	XCAULACEFQIRLD-RRQGHBQHSA-N	1	0	357.458	1.337	20	30		FDEDRO
C[NH+](C)C[C@H](O)COc1ccc(NC(=O)COc2ccccc2C#N)cc1	ZINC000444541359	828147846	/nfs/dbraw/zinc/14/78/46/828147846.db2.gz	BQHASIAMEIKWQF-KRWDZBQOSA-N	1	0	369.421	1.877	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2	ZINC000526669268	828873529	/nfs/dbraw/zinc/87/35/29/828873529.db2.gz	MHZDFZJGXLGPOS-UHFFFAOYSA-N	1	0	356.426	1.592	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C=C(C)C)C[C@@H]3C2)CC1	ZINC000985680224	828948512	/nfs/dbraw/zinc/94/85/12/828948512.db2.gz	IWVKGTNUMCWPLD-MOPGFXCFSA-N	1	0	357.498	1.605	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCCC[C@@H]1C	ZINC001168094721	829099085	/nfs/dbraw/zinc/09/90/85/829099085.db2.gz	BDFFNVFLTDZMEI-BQFCYCMXSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCOCCOCC)C[C@H]1C(F)(F)F	ZINC001112193964	829246517	/nfs/dbraw/zinc/24/65/17/829246517.db2.gz	DXUNDRXQSGWVTP-ZIAGYGMSSA-N	1	0	352.397	1.985	20	30		FDEDRO
N#Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2=O)cc1Cl	ZINC000448793840	829251513	/nfs/dbraw/zinc/25/15/13/829251513.db2.gz	MMAGIWOXQKANKW-ZIAGYGMSSA-N	1	0	372.856	1.917	20	30		FDEDRO
COC(=O)Cn1cc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)nn1	ZINC000449119578	829378545	/nfs/dbraw/zinc/37/85/45/829378545.db2.gz	AFEDMXRECLUROP-AWEZNQCLSA-N	1	0	372.404	1.220	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2cnnn2C)C1	ZINC001029862402	829421786	/nfs/dbraw/zinc/42/17/86/829421786.db2.gz	PAFXSPLTUOMPNA-NJAFHUGGSA-N	1	0	361.490	1.467	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](CN2CCOCC2)C1	ZINC000528484930	829430518	/nfs/dbraw/zinc/43/05/18/829430518.db2.gz	AWRKQUZTHBUHPL-IEBWSBKVSA-N	1	0	359.470	1.342	20	30		FDEDRO
CC(C)C[NH2+]C1(CO)CCN(C[C@@H](O)COc2ccccc2C#N)CC1	ZINC000528519470	829434739	/nfs/dbraw/zinc/43/47/39/829434739.db2.gz	NJZHYERNRXZSOH-GOSISDBHSA-N	1	0	361.486	1.370	20	30		FDEDRO
C[C@@H]1COCCN1CCNC(=O)CCCC(=O)Nc1ccccc1C#N	ZINC000449846368	829695853	/nfs/dbraw/zinc/69/58/53/829695853.db2.gz	XUPZCFICMYNJEU-OAHLLOKOSA-N	1	0	358.442	1.504	20	30		FDEDRO
COCc1ccc(NC(=O)NC2CCN(CC[NH+](C)C)CC2)cc1C#N	ZINC000529211898	829764677	/nfs/dbraw/zinc/76/46/77/829764677.db2.gz	PQKUDIOLIZVDQZ-UHFFFAOYSA-N	1	0	359.474	1.852	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@@H]3C2)c1	ZINC000985825605	829774709	/nfs/dbraw/zinc/77/47/09/829774709.db2.gz	BWAHVUJRPUGLIL-NZSAHSFTSA-N	1	0	366.465	1.078	20	30		FDEDRO
N#Cc1ccnc(NCCCC[NH+]2CCN(Cc3ccccc3)CC2)n1	ZINC000450264727	829901819	/nfs/dbraw/zinc/90/18/19/829901819.db2.gz	UVKWXUXVVNOKQX-UHFFFAOYSA-N	1	0	350.470	2.358	20	30		FDEDRO
N#Cc1cnc(NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c([N+](=O)[O-])c1	ZINC000450411782	829949446	/nfs/dbraw/zinc/94/94/46/829949446.db2.gz	OWQWKCZRAJVULD-CVEARBPZSA-N	1	0	353.382	1.909	20	30		FDEDRO
C=C(Cl)CN1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)[C@H]1C	ZINC001088619375	837405629	/nfs/dbraw/zinc/40/56/29/837405629.db2.gz	JSQCOPWYTJIJQI-PVAVHDDUSA-N	1	0	355.910	1.961	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C1)[NH+](C)C	ZINC000985896378	830025015	/nfs/dbraw/zinc/02/50/15/830025015.db2.gz	WPKATWBTFIOPHG-RYRKJORJSA-N	1	0	371.485	1.393	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c1	ZINC000529908501	830084601	/nfs/dbraw/zinc/08/46/01/830084601.db2.gz	JKNZFEHEHYPALV-UHFFFAOYSA-N	1	0	356.470	1.951	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C1	ZINC000985976624	830229052	/nfs/dbraw/zinc/22/90/52/830229052.db2.gz	USUNXOMHWJGBJJ-OAGGEKHMSA-N	1	0	369.469	1.291	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C2=COCCO2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088454936	830370419	/nfs/dbraw/zinc/37/04/19/830370419.db2.gz	QBBAODCRFUELRG-PBHICJAKSA-N	1	0	357.410	1.556	20	30		FDEDRO
COC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C[C@@H]1c1ccccc1	ZINC000452005783	830502140	/nfs/dbraw/zinc/50/21/40/830502140.db2.gz	MXYKQCSMPWDTSW-DJIMGWMZSA-N	1	0	355.438	1.826	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1	ZINC000453587780	830959103	/nfs/dbraw/zinc/95/91/03/830959103.db2.gz	LBCIHPBSOHYTET-HUUCEWRRSA-N	1	0	358.442	1.421	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1C#N	ZINC000453661480	830992795	/nfs/dbraw/zinc/99/27/95/830992795.db2.gz	CIVNFICXKGHVGP-DOTOQJQBSA-N	1	0	367.453	1.676	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]2C1)[NH+]1CCCC1	ZINC000986250189	831377086	/nfs/dbraw/zinc/37/70/86/831377086.db2.gz	UXNACVDDSXMBRS-DYXWJJEUSA-N	1	0	371.525	1.827	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C1	ZINC000986279680	831423638	/nfs/dbraw/zinc/42/36/38/831423638.db2.gz	LFOLCFHCQRASDJ-SQNIBIBYSA-N	1	0	370.497	1.689	20	30		FDEDRO
C[N@H+](CC(=O)N1C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CC[C@@H]2C1)C1CCC1	ZINC000986283127	831429603	/nfs/dbraw/zinc/42/96/03/831429603.db2.gz	MHIYXHUOFJVVBS-CABCVRRESA-N	1	0	369.469	1.291	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]3C2)nc1	ZINC000986424856	831658129	/nfs/dbraw/zinc/65/81/29/831658129.db2.gz	KPINRGUNBBUOBC-AOIWGVFYSA-N	1	0	368.481	1.324	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]3C2)nc1	ZINC000986457692	831700727	/nfs/dbraw/zinc/70/07/27/831700727.db2.gz	UIRWAYWVAAMEFP-AOIWGVFYSA-N	1	0	368.481	1.324	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)CC[C@@H]3C2)cn1	ZINC000986459640	831746024	/nfs/dbraw/zinc/74/60/24/831746024.db2.gz	LCEVVDFFKACKEV-AOIWGVFYSA-N	1	0	366.465	1.078	20	30		FDEDRO
COc1ccc(CN2CC[C@H](NC(=O)c3cnc(C)[nH]3)[C@H]2C)cc1C#N	ZINC001088495476	831799177	/nfs/dbraw/zinc/79/91/77/831799177.db2.gz	VJFUVNSVPMVLFJ-WBMJQRKESA-N	1	0	353.426	1.991	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1	ZINC000453926039	831942353	/nfs/dbraw/zinc/94/23/53/831942353.db2.gz	GUIZDXRMGIOQLD-MSOLQXFVSA-N	1	0	357.454	1.722	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@H]3C2)CC1	ZINC000986615620	832082761	/nfs/dbraw/zinc/08/27/61/832082761.db2.gz	PCAFUPPOORLGSZ-QRVBRYPASA-N	1	0	359.514	1.991	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3CCN(C(=O)C[C@@H]4CC[N@@H+](C)C4)C[C@H]3C2)C1	ZINC000986638227	832130556	/nfs/dbraw/zinc/13/05/56/832130556.db2.gz	WNENVKURWZBJHT-KSZLIROESA-N	1	0	359.514	1.991	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3CN(C(=O)[C@H](CC)[NH+](C)C)CC[C@@H]3C2)c1	ZINC000986640589	832134787	/nfs/dbraw/zinc/13/47/87/832134787.db2.gz	DFENZSJUZNDBEU-NEWSRXKRSA-N	1	0	368.481	1.324	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C(C)(C)C)C[C@@H]3C2)CC1	ZINC000986654586	832161330	/nfs/dbraw/zinc/16/13/30/832161330.db2.gz	RILKQJMTPUGHHO-MSOLQXFVSA-N	1	0	359.514	1.685	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@H](O)c1ccc(C#N)cc1	ZINC000780947757	832376965	/nfs/dbraw/zinc/37/69/65/832376965.db2.gz	NYXOYLTWYPWJMY-QGZVFWFLSA-N	1	0	352.394	1.391	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)NC(=O)C2CCC2)C[C@H]1C(F)(F)F	ZINC001112219968	832483607	/nfs/dbraw/zinc/48/36/07/832483607.db2.gz	HCGMEKDJCIDLNG-IACUBPJLSA-N	1	0	361.408	1.846	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)N2CCOCC2)C[C@H]1C(F)(F)F	ZINC001112220157	832495588	/nfs/dbraw/zinc/49/55/88/832495588.db2.gz	OMYWZTZEXUXNGT-RRFJBIMHSA-N	1	0	363.424	1.652	20	30		FDEDRO
C[NH+]1CCN(CCCS(=O)(=O)Oc2cc(Cl)ccc2C#N)CC1	ZINC000866965282	832979415	/nfs/dbraw/zinc/97/94/15/832979415.db2.gz	SEYVSBIOFZHXJU-UHFFFAOYSA-N	1	0	357.863	1.558	20	30		FDEDRO
C[C@H](c1nc(-c2ccccc2N2CC[NH+](C)CC2)no1)n1cnc(C#N)n1	ZINC000350086152	833452172	/nfs/dbraw/zinc/45/21/72/833452172.db2.gz	UBIIETCIQPGPKO-CYBMUJFWSA-N	1	0	364.413	1.561	20	30		FDEDRO
Cc1nn(C)cc1CC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001075891115	833467914	/nfs/dbraw/zinc/46/79/14/833467914.db2.gz	IJDPJQVOGLUWJU-AZUAARDMSA-N	1	0	363.465	1.876	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC34CCC4)[C@H]2C)CC1	ZINC000987994180	833887669	/nfs/dbraw/zinc/88/76/69/833887669.db2.gz	DSHOUUIKEISSKN-NJAFHUGGSA-N	1	0	357.498	1.627	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](CN(C)C(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000988067797	833991322	/nfs/dbraw/zinc/99/13/22/833991322.db2.gz	VHZLNYDITSKFST-FFZOFVMBSA-N	1	0	371.525	1.685	20	30		FDEDRO
CCc1nc(C#N)cc(N[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)n1	ZINC001059859185	834204473	/nfs/dbraw/zinc/20/44/73/834204473.db2.gz	RJLDMTVBDHSFOZ-LQKXBSAESA-N	1	0	356.474	1.700	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1CC[C@@H](CN(C)C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1	ZINC000988186513	834210316	/nfs/dbraw/zinc/21/03/16/834210316.db2.gz	ZKIWYUROYHJIFK-IXDOHACOSA-N	1	0	365.518	1.615	20	30		FDEDRO
C[C@H]([NH3+])C(=O)N1[C@H](c2nc(-c3cccc(C#N)c3)no2)[C@@H](C)OC1(C)C	ZINC001211966279	835180676	/nfs/dbraw/zinc/18/06/76/835180676.db2.gz	PUDKKBMTBQGJIH-WDMOLILDSA-N	1	0	355.398	1.980	20	30		FDEDRO
Cn1ncc(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)c1C#N	ZINC000475925436	835261041	/nfs/dbraw/zinc/26/10/41/835261041.db2.gz	HCCNTNODFJQIKL-UHFFFAOYSA-N	1	0	353.426	1.696	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3cocc3C)[C@@H]2C)CC1	ZINC000988505747	835645916	/nfs/dbraw/zinc/64/59/16/835645916.db2.gz	CHTUEWJFIZVQPR-QAPCUYQASA-N	1	0	357.454	1.652	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3cc[nH]c3C)[C@@H]2C)CC1	ZINC000988507905	835663594	/nfs/dbraw/zinc/66/35/94/835663594.db2.gz	XSDTVCXHORUZAY-QAPCUYQASA-N	1	0	356.470	1.388	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCCC[N@H+]3CC)[C@H]2C)cn1	ZINC000988515785	835723500	/nfs/dbraw/zinc/72/35/00/835723500.db2.gz	XIPAQYUCEISXCF-AYOQOUSVSA-N	1	0	368.481	1.657	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1	ZINC000246003844	835791346	/nfs/dbraw/zinc/79/13/46/835791346.db2.gz	JNRCOJYFDHAJMI-FHWLQOOXSA-N	1	0	361.534	1.095	20	30		FDEDRO
CC(C)N1C[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)CC1=O	ZINC001088601463	835944603	/nfs/dbraw/zinc/94/46/03/835944603.db2.gz	BCZQWAMWHCPJJC-LZQZEXGQSA-N	1	0	368.481	1.894	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1OC	ZINC001211994488	836013990	/nfs/dbraw/zinc/01/39/90/836013990.db2.gz	APNXOIWVPCWFOL-CGTJXYLNSA-N	1	0	354.491	1.600	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3ccnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105668972	844115260	/nfs/dbraw/zinc/11/52/60/844115260.db2.gz	NMMZWEZXFOSEBS-LFGUQSLTSA-N	1	0	360.502	1.734	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1F	ZINC000455542953	836116491	/nfs/dbraw/zinc/11/64/91/836116491.db2.gz	NUCVJOPDBFVREM-INIZCTEOSA-N	1	0	360.433	1.951	20	30		FDEDRO
CCOCCC(=O)N[C@@H]1CN(CC#Cc2cccc(Cl)c2)C[C@H]1OC	ZINC001212019797	836282651	/nfs/dbraw/zinc/28/26/51/836282651.db2.gz	BWXGBVKMGFYTAO-QZTJIDSGSA-N	1	0	364.873	1.934	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](CCOc2cc(C)cc(C)c2)C[C@H]1OC	ZINC001212034397	836325067	/nfs/dbraw/zinc/32/50/67/836325067.db2.gz	VUZXJKFMEXCBKJ-RTBURBONSA-N	1	0	362.470	1.700	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cnn3cccnc23)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088787428	844175530	/nfs/dbraw/zinc/17/55/30/844175530.db2.gz	IVEOKWHMXDLQIE-KDOFPFPSSA-N	1	0	360.421	1.994	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1	ZINC000938021185	836974665	/nfs/dbraw/zinc/97/46/65/836974665.db2.gz	AOODTCPHUYBUPQ-IEZWGBDMSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1	ZINC000938021612	836975475	/nfs/dbraw/zinc/97/54/75/836975475.db2.gz	NJGIOXFFLAPNFU-FJIDUMEYSA-N	1	0	365.518	1.661	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1	ZINC000989071577	838277158	/nfs/dbraw/zinc/27/71/58/838277158.db2.gz	ZXWLQMWPZHBCFR-FJIDUMEYSA-N	1	0	365.518	1.805	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1C	ZINC000989115600	838361445	/nfs/dbraw/zinc/36/14/45/838361445.db2.gz	DFQRQUORTQRZIH-ZSGPHXLJSA-N	1	0	368.437	1.645	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21	ZINC000272303846	838433578	/nfs/dbraw/zinc/43/35/78/838433578.db2.gz	HKHIDUUTVBBWIS-CJNGLKHVSA-N	1	0	359.401	1.329	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C)nc1	ZINC000989164288	838535572	/nfs/dbraw/zinc/53/55/72/838535572.db2.gz	SPXQSDRYMFPAHK-QAPCUYQASA-N	1	0	368.481	1.514	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(CO)cc2)[C@@H]1C	ZINC001088631287	838603740	/nfs/dbraw/zinc/60/37/40/838603740.db2.gz	CRNGCPJGCSVQNT-UXPWSPDFSA-N	1	0	355.482	1.356	20	30		FDEDRO
CC#CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)CCO2	ZINC001105473121	838679639	/nfs/dbraw/zinc/67/96/39/838679639.db2.gz	OJHMTMJVLFFCKK-MUZJZNNISA-N	1	0	356.470	1.666	20	30		FDEDRO
C=C(C)CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1OCCO[C@H]1C)CCO2	ZINC001105473434	838700322	/nfs/dbraw/zinc/70/03/22/838700322.db2.gz	WVFSIHNXLBXQJS-FFEBTUMSSA-N	1	0	366.502	1.886	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1	ZINC000459826268	838969585	/nfs/dbraw/zinc/96/95/85/838969585.db2.gz	WUILGQKOJBCFHI-ROUUACIJSA-N	1	0	364.534	1.428	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC[NH+](C)C	ZINC000460036513	839244923	/nfs/dbraw/zinc/24/49/23/839244923.db2.gz	OFBLWSUBSOBEOX-LPHOPBHVSA-N	1	0	373.497	1.599	20	30		FDEDRO
CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C(=O)N(C)C[C@@H](C)C#N	ZINC000460075543	839296007	/nfs/dbraw/zinc/29/60/07/839296007.db2.gz	LNICMLNLGWAVDZ-KRWDZBQOSA-N	1	0	358.486	1.975	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1	ZINC000989336621	839536797	/nfs/dbraw/zinc/53/67/97/839536797.db2.gz	XLJSEUVMHYGKAX-YVSFHVDLSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@H]2CC[N@H+](CCn3cncn3)[C@@H]2C)cc1	ZINC001088672031	839557695	/nfs/dbraw/zinc/55/76/95/839557695.db2.gz	KQNSBTRGFAJCOW-QAPCUYQASA-N	1	0	355.442	1.736	20	30		FDEDRO
C=CCOCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2C(N)=O)CCC1	ZINC001105563455	839975198	/nfs/dbraw/zinc/97/51/98/839975198.db2.gz	NQWHQUPOWAOLQD-IKGGRYGDSA-N	1	0	363.502	1.451	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3=COCCO3)[C@H]2C(C)C)C[C@H]1O	ZINC001105590789	840129246	/nfs/dbraw/zinc/12/92/46/840129246.db2.gz	NFCARVZBYAAQLY-IIHSZXCVSA-N	1	0	350.459	1.417	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc(C)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105592196	840135618	/nfs/dbraw/zinc/13/56/18/840135618.db2.gz	ZIUKAEMOOSMZPU-UIXUWTQFSA-N	1	0	356.470	1.388	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](CC)[C@@H]2CCCOC2)CC1	ZINC000897674811	840217209	/nfs/dbraw/zinc/21/72/09/840217209.db2.gz	IZHJEQHLAKJBBG-NVXWUHKLSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCCC[C@H](NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)c1ccccc1	ZINC000897716991	840306094	/nfs/dbraw/zinc/30/60/94/840306094.db2.gz	OAKFXNBVXYVLLW-OALUTQOASA-N	1	0	372.513	1.562	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3snnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105593930	840381679	/nfs/dbraw/zinc/38/16/79/840381679.db2.gz	JCSJMASSBPGVED-GZOSKZMVSA-N	1	0	362.499	1.450	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105594017	840387642	/nfs/dbraw/zinc/38/76/42/840387642.db2.gz	KGTWMICORUVABI-IZBJGVDFSA-N	1	0	360.502	1.815	20	30		FDEDRO
Cc1c(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)cnn1CCC#N	ZINC000897817092	840440536	/nfs/dbraw/zinc/44/05/36/840440536.db2.gz	YZSCTPUXQRQPOV-KRWDZBQOSA-N	1	0	353.426	1.924	20	30		FDEDRO
COCCO[C@]12CCC[C@@]1([NH2+]Cc1cnc3c(C#N)cnn3c1)CCO2	ZINC000898001104	840648492	/nfs/dbraw/zinc/64/84/92/840648492.db2.gz	JMEDVIVTKBXWSB-QZTJIDSGSA-N	1	0	357.414	1.393	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCn3cccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105598827	840781973	/nfs/dbraw/zinc/78/19/73/840781973.db2.gz	XQTUHVSBAIWCAZ-LFGUQSLTSA-N	1	0	358.486	1.263	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccon3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105601441	841032865	/nfs/dbraw/zinc/03/28/65/841032865.db2.gz	YNHPTPMRJYRHJL-YWTNHNAXSA-N	1	0	363.458	1.457	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccon3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105601438	841033071	/nfs/dbraw/zinc/03/30/71/841033071.db2.gz	YNHPTPMRJYRHJL-MTNOOBJLSA-N	1	0	363.458	1.457	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCOCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105604326	841183805	/nfs/dbraw/zinc/18/38/05/841183805.db2.gz	SXMHKGSGNMMQPV-IZBJGVDFSA-N	1	0	350.503	1.793	20	30		FDEDRO
C=CCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC3CC3)C2)[C@H]1C(C)C	ZINC001105606325	841205707	/nfs/dbraw/zinc/20/57/07/841205707.db2.gz	CGYZZWSBGHPRBJ-XNFNUYLZSA-N	1	0	363.502	1.197	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cc(C)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105607091	841211507	/nfs/dbraw/zinc/21/15/07/841211507.db2.gz	LJCKFNVIXSAWIZ-HNBVOPMISA-N	1	0	360.502	1.734	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)n(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105607416	841226474	/nfs/dbraw/zinc/22/64/74/841226474.db2.gz	RCVLZNBZVHKMPM-MLYOOKFZSA-N	1	0	358.486	1.332	20	30		FDEDRO
C=CCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCn3cccn3)C2)[C@@H]1C(C)C	ZINC001105607600	841231692	/nfs/dbraw/zinc/23/16/92/841231692.db2.gz	UKXSLNXCUPUJPX-IZBJGVDFSA-N	1	0	360.502	1.815	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H](C[N@@H+](C)CC)C3)cc2C1=O	ZINC000479950917	844623142	/nfs/dbraw/zinc/62/31/42/844623142.db2.gz	BFCFDZDVMGPIFV-CQSZACIVSA-N	1	0	355.438	1.882	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncoc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105610012	841540274	/nfs/dbraw/zinc/54/02/74/841540274.db2.gz	FZQNPHBHUUMNDQ-OHRYMORCSA-N	1	0	359.470	1.840	20	30		FDEDRO
CC(=O)N[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001112246493	841557866	/nfs/dbraw/zinc/55/78/66/841557866.db2.gz	DDRLVLRCFYMMOL-JJXUHFIVSA-N	1	0	368.481	1.801	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3CCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105610810	841728734	/nfs/dbraw/zinc/72/87/34/841728734.db2.gz	NVLZJBHAFMFXCT-QCFAMHMHSA-N	1	0	362.514	1.793	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)[C@H]2C)nc1	ZINC000990001451	841780738	/nfs/dbraw/zinc/78/07/38/841780738.db2.gz	KQIXCKBKVLFTGK-UXLLHSPISA-N	1	0	354.454	1.124	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1	ZINC000991421824	861251336	/nfs/dbraw/zinc/25/13/36/861251336.db2.gz	REZVKBZLNAQVBX-JQHSSLGASA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cc[nH]n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105612333	842031407	/nfs/dbraw/zinc/03/14/07/842031407.db2.gz	ZQZRQWKWZLWIEQ-LFGUQSLTSA-N	1	0	360.502	1.885	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@H]2C)CC1	ZINC000990365509	842096922	/nfs/dbraw/zinc/09/69/22/842096922.db2.gz	JSKQEJGBRTYEQS-DBDQLMEASA-N	1	0	373.497	1.005	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@@H]1C(C)C	ZINC001105614903	842228420	/nfs/dbraw/zinc/22/84/20/842228420.db2.gz	LFOJSYNQJPOUGN-JYBIWHBTSA-N	1	0	368.518	1.318	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CNC(=O)CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105614942	842228657	/nfs/dbraw/zinc/22/86/57/842228657.db2.gz	LTYGCLZZKOALQK-OHDICMOHSA-N	1	0	351.491	1.055	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)c2ccc(C#N)[nH]2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCF)C2	ZINC001105619542	842238384	/nfs/dbraw/zinc/23/83/84/842238384.db2.gz	MYGZCSQCYWISSB-VXIBKDFQSA-N	1	0	362.449	1.826	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)c2ccc(C#N)[nH]2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCF)C2	ZINC001105619541	842238505	/nfs/dbraw/zinc/23/85/05/842238505.db2.gz	MYGZCSQCYWISSB-MTNOOBJLSA-N	1	0	362.449	1.826	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3ncc[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105622462	842246774	/nfs/dbraw/zinc/24/67/74/842246774.db2.gz	BALFXJWCRMKEAY-SMOSDQRPSA-N	1	0	358.486	1.332	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCOCC=C)C2)[C@H]1C(C)C	ZINC001105623169	842250495	/nfs/dbraw/zinc/25/04/95/842250495.db2.gz	NSGFYHHOZWGJQZ-VURPSTOHSA-N	1	0	362.514	1.959	20	30		FDEDRO
COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH]c(C#N)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105624164	842253103	/nfs/dbraw/zinc/25/31/03/842253103.db2.gz	XVWQMKFVFMWPBZ-VXNCWWDNSA-N	1	0	360.458	1.112	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nccc(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105624298	842254354	/nfs/dbraw/zinc/25/43/54/842254354.db2.gz	YSCCBISDCZEPND-PDOICOKGSA-N	1	0	358.486	1.941	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C)nn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105626919	842258684	/nfs/dbraw/zinc/25/86/84/842258684.db2.gz	JIXUPSSEXIOSHJ-SOAMZJECSA-N	1	0	356.470	1.388	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nn(C)cc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105626960	842258984	/nfs/dbraw/zinc/25/89/84/842258984.db2.gz	JUUVKTJWEDTRNL-ZTRFORPCSA-N	1	0	358.486	1.332	20	30		FDEDRO
CCOCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C#CC3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105627685	842260483	/nfs/dbraw/zinc/26/04/83/842260483.db2.gz	OYDSNSSTARMRGL-QCFAMHMHSA-N	1	0	362.514	1.793	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN(C)C(=O)C(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105631345	842264372	/nfs/dbraw/zinc/26/43/72/842264372.db2.gz	ACOLLHCLTPSASB-CIWUYKSXSA-N	1	0	365.518	1.253	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCOCC(F)F)[C@@H]2C(C)C)C[C@H]1O	ZINC001105631558	842264652	/nfs/dbraw/zinc/26/46/52/842264652.db2.gz	DSPMVWMWXFVLDG-DTDBQYNISA-N	1	0	358.429	1.258	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(CCOC)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105636654	842267842	/nfs/dbraw/zinc/26/78/42/842267842.db2.gz	AZMQBROPLDGHFZ-PDOICOKGSA-N	1	0	350.503	1.955	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cncs3)[C@H]2C(C)C)C[C@H]1O	ZINC001105637290	842271179	/nfs/dbraw/zinc/27/11/79/842271179.db2.gz	MSOIYUYCASGWDR-FPAYPSAMSA-N	1	0	361.511	1.675	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cncs3)[C@H]2C(C)C)C[C@H]1O	ZINC001105637293	842271441	/nfs/dbraw/zinc/27/14/41/842271441.db2.gz	MSOIYUYCASGWDR-ZAWLATJESA-N	1	0	361.511	1.675	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCn3ccnn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637695	842272770	/nfs/dbraw/zinc/27/27/70/842272770.db2.gz	UUNKREULXVBGSU-PSBWJHGTSA-N	1	0	361.490	1.210	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3[nH]c(=O)[nH]c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637983	842275624	/nfs/dbraw/zinc/27/56/24/842275624.db2.gz	YMMKJCNZTGKBSM-NPNMTCQASA-N	1	0	360.458	1.027	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc4n(n3)CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001105632259	842280083	/nfs/dbraw/zinc/28/00/83/842280083.db2.gz	JZVZNNBUSQKXLR-WERVVEIQSA-N	1	0	370.497	1.432	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NCC)C2)[C@@H]1C(C)C	ZINC001105633756	842283003	/nfs/dbraw/zinc/28/30/03/842283003.db2.gz	WLHOVNDKDMUISM-YKCBXCCJSA-N	1	0	365.518	1.445	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cncc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105642078	842302359	/nfs/dbraw/zinc/30/23/59/842302359.db2.gz	HMMOCUBUUJEPLT-LFGUQSLTSA-N	1	0	358.486	1.181	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3csnn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105642243	842304837	/nfs/dbraw/zinc/30/48/37/842304837.db2.gz	IGPQMQOKFIQMKY-DNNBLBMLSA-N	1	0	350.488	1.694	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cncc(C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105643423	842335959	/nfs/dbraw/zinc/33/59/59/842335959.db2.gz	YFORQWLRTWCOQD-CZAYHTPWSA-N	1	0	369.509	1.922	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCC(F)F)[C@H]2C(C)C)C[C@H]1O	ZINC001105645778	842395688	/nfs/dbraw/zinc/39/56/88/842395688.db2.gz	CSUFGWASXCYOGJ-KJWYOANISA-N	1	0	358.429	1.258	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCC(F)F)[C@@H]2C(C)C)C[C@H]1O	ZINC001105647821	842414790	/nfs/dbraw/zinc/41/47/90/842414790.db2.gz	UVTSOXOZYGHKHV-DTTOXWODSA-N	1	0	360.445	1.810	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3csc(=O)[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105648319	842419709	/nfs/dbraw/zinc/41/97/09/842419709.db2.gz	XWSLZTFENRIQSB-TXPWEPMLSA-N	1	0	363.483	1.452	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@@H]1C(C)C	ZINC001105651376	842445818	/nfs/dbraw/zinc/44/58/18/842445818.db2.gz	GMSGOWPFEWVPQJ-JYBIWHBTSA-N	1	0	350.503	1.793	20	30		FDEDRO
N#CCOc1cccc(CC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1	ZINC000760568173	842453513	/nfs/dbraw/zinc/45/35/13/842453513.db2.gz	SERDWFWORMMRGA-LJQANCHMSA-N	1	0	357.454	1.891	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cnc[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105654993	842481042	/nfs/dbraw/zinc/48/10/42/842481042.db2.gz	COARBBRUWZZIEW-IZBJGVDFSA-N	1	0	360.502	1.885	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C)c(=O)[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105656800	842488630	/nfs/dbraw/zinc/48/86/30/842488630.db2.gz	UAGYIIKCRHVTBB-JNNRSPCRSA-N	1	0	362.474	1.282	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CCO)C3)[C@H]2C(C)C)CC1	ZINC001105657312	842494123	/nfs/dbraw/zinc/49/41/23/842494123.db2.gz	YCQSFSKITWODIE-WOCWXWTJSA-N	1	0	350.503	1.691	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1C[N@@H+](C)CCN1C	ZINC000477640797	842688624	/nfs/dbraw/zinc/68/86/24/842688624.db2.gz	AKTBJZPMICOAOH-KRWDZBQOSA-N	1	0	361.446	1.538	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(OC)o3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105661437	842702983	/nfs/dbraw/zinc/70/29/83/842702983.db2.gz	IQYXMOLMMWEVNK-CWLMSFPYSA-N	1	0	360.454	1.891	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000425875425	842793147	/nfs/dbraw/zinc/79/31/47/842793147.db2.gz	ABSNTVMXRZMZGA-LULLPPNCSA-N	1	0	371.481	1.330	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@H]32)cc1	ZINC001075958732	842802100	/nfs/dbraw/zinc/80/21/00/842802100.db2.gz	RLSYNRJDFZRWDV-QXAKKESOSA-N	1	0	369.465	1.676	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105663125	842804832	/nfs/dbraw/zinc/80/48/32/842804832.db2.gz	RLZVWNXZCWILJH-VYCZESIESA-N	1	0	361.490	1.361	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CNC(=O)c1ccco1	ZINC000461336034	842999827	/nfs/dbraw/zinc/99/98/27/842999827.db2.gz	YTUJVWXIHFSSRQ-UHFFFAOYSA-N	1	0	354.410	1.471	20	30		FDEDRO
O=C([C@H]1CCC(=O)NC1)N1CC[C@H]2CN(CC#Cc3ccc(F)cc3)C[C@H]21	ZINC001075977110	843125032	/nfs/dbraw/zinc/12/50/32/843125032.db2.gz	JPGWYYYMVWUNIN-JENIJYKNSA-N	1	0	369.440	1.236	20	30		FDEDRO
CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N[C@H]2CCC[C@@H]2C#N)CC1	ZINC000461777628	843151980	/nfs/dbraw/zinc/15/19/80/843151980.db2.gz	NDQSNPWBVXPEEQ-HIFRSBDPSA-N	1	0	358.446	1.287	20	30		FDEDRO
C[C@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1cccc(C#N)c1	ZINC000462020449	843287742	/nfs/dbraw/zinc/28/77/42/843287742.db2.gz	MKCKIUTVESXHBT-INIZCTEOSA-N	1	0	354.454	1.428	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C	ZINC000462098394	843313026	/nfs/dbraw/zinc/31/30/26/843313026.db2.gz	PJKNXARZFRZYPE-HIFRSBDPSA-N	1	0	353.430	2.052	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)[C@H]1C	ZINC001088762887	843460882	/nfs/dbraw/zinc/46/08/82/843460882.db2.gz	ALWBOAZNUGPRMO-BDXSIMOUSA-N	1	0	351.491	1.021	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncccc3OC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667467	843639692	/nfs/dbraw/zinc/63/96/92/843639692.db2.gz	BKUVXALUZCKLHL-NVEXJGOOSA-N	1	0	371.481	1.693	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nc(C)oc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667609	843660670	/nfs/dbraw/zinc/66/06/70/843660670.db2.gz	SFZDPCUUHCOHES-QQTQMKHKSA-N	1	0	359.470	1.894	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(C(=O)NC[C@H]3CCCN(CC#N)C3)cc2)CC1	ZINC000478314512	843685128	/nfs/dbraw/zinc/68/51/28/843685128.db2.gz	ORQHYGMEWYEMRF-GOSISDBHSA-N	1	0	369.513	1.794	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3[nH]cnc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105668151	843757375	/nfs/dbraw/zinc/75/73/75/843757375.db2.gz	ICKBZCJWVUNRQE-ZTRFORPCSA-N	1	0	358.486	1.575	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3[nH]cnc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105668149	843757656	/nfs/dbraw/zinc/75/76/56/843757656.db2.gz	ICKBZCJWVUNRQE-HBXLWWENSA-N	1	0	358.486	1.575	20	30		FDEDRO
N#C[C@@]1(c2ccccn2)CCCN(C(=O)C2C[NH+](C3CCOCC3)C2)C1	ZINC000898585550	844899160	/nfs/dbraw/zinc/89/91/60/844899160.db2.gz	BLJKFQKYUZBZHS-FQEVSTJZSA-N	1	0	354.454	1.576	20	30		FDEDRO
C[NH+](C)[C@@]1(CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CCSC1	ZINC000480281991	844999445	/nfs/dbraw/zinc/99/94/45/844999445.db2.gz	XUMAMVFHLHMNBJ-GOSISDBHSA-N	1	0	370.482	1.493	20	30		FDEDRO
CC(C)[C@@H](C(=O)OC(C)(C)C)N1CC[C@@H]([NH2+]Cc2cc(C#N)n(C)c2)C1=O	ZINC000480283409	845000695	/nfs/dbraw/zinc/00/06/95/845000695.db2.gz	LFYVNHNUZGTPOS-SJORKVTESA-N	1	0	374.485	1.954	20	30		FDEDRO
C[NH2+]CCC1CCN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)CC1	ZINC000842180350	845368595	/nfs/dbraw/zinc/36/85/95/845368595.db2.gz	LMHIJQNTOLSVTI-UHFFFAOYSA-N	1	0	358.442	1.031	20	30		FDEDRO
C=CCNC(=O)CN1CC[NH+](CC2CCN(C(=O)C(C)(C)C)CC2)CC1	ZINC000480523281	845368783	/nfs/dbraw/zinc/36/87/83/845368783.db2.gz	PHIVTDHDJKNQFZ-UHFFFAOYSA-N	1	0	364.534	1.191	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCCOCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105675013	845638939	/nfs/dbraw/zinc/63/89/39/845638939.db2.gz	LFSRZGUREZFAGB-IZBJGVDFSA-N	1	0	366.502	1.029	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCn3cccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105675162	845652051	/nfs/dbraw/zinc/65/20/51/845652051.db2.gz	MIVCWZZISOCCDG-LFGUQSLTSA-N	1	0	360.502	1.815	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnc(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105675722	845744683	/nfs/dbraw/zinc/74/46/83/845744683.db2.gz	RCYPZURDDZMGSG-MLYOOKFZSA-N	1	0	356.470	1.388	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)ccc1Br	ZINC000899236666	845982247	/nfs/dbraw/zinc/98/22/47/845982247.db2.gz	FKPKAYKZXRIEOM-CQSZACIVSA-N	1	0	370.272	1.695	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCCOC)C2	ZINC001112281498	861639375	/nfs/dbraw/zinc/63/93/75/861639375.db2.gz	LWYZBBARSYSVBE-ZWOKBUDYSA-N	1	0	365.518	1.712	20	30		FDEDRO
C[NH+]1CCC(NCc2cn(-c3cc(C(F)(F)F)cnc3C#N)nn2)CC1	ZINC000899693445	846601369	/nfs/dbraw/zinc/60/13/69/846601369.db2.gz	QSWHLWSSOUYSBF-UHFFFAOYSA-N	1	0	365.363	1.737	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000899918117	846862078	/nfs/dbraw/zinc/86/20/78/846862078.db2.gz	UHPICFFXDOAUCX-UHFFFAOYSA-N	1	0	367.471	1.154	20	30		FDEDRO
Cc1cc(CC(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@H]32)n(C)n1	ZINC001076036657	847126047	/nfs/dbraw/zinc/12/60/47/847126047.db2.gz	NNHPPPOEVFBFQC-KBXCAEBGSA-N	1	0	369.494	1.937	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cncc(CC)c4)[C@@H]3C2)C1=O	ZINC001076045469	847143549	/nfs/dbraw/zinc/14/35/49/847143549.db2.gz	AOMIWEDJPIUFAK-QXAKKESOSA-N	1	0	368.481	1.577	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCNC(=O)CC4)[C@@H]3C2)c1	ZINC001076087085	847230501	/nfs/dbraw/zinc/23/05/01/847230501.db2.gz	FPAJVUXZCQZSJY-CEXWTWQISA-N	1	0	366.465	1.507	20	30		FDEDRO
CN1C(=O)CC[C@@H]1CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001076122226	847343667	/nfs/dbraw/zinc/34/36/67/847343667.db2.gz	QWORWQSSQVGGEE-IPMKNSEASA-N	1	0	366.465	1.602	20	30		FDEDRO
C=C1CCC(C(=O)N2CC[C@H]3C[N@H+](CCN4C(=O)CCC4=O)C[C@H]32)CC1	ZINC001076209960	847567510	/nfs/dbraw/zinc/56/75/10/847567510.db2.gz	PWQDNPDWWQCPPS-DLBZAZTESA-N	1	0	359.470	1.415	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4cc(C(N)=O)co4)[C@@H]3C2)cc1	ZINC001076231549	847588056	/nfs/dbraw/zinc/58/80/56/847588056.db2.gz	ILRODEXFQMHJNT-DOTOQJQBSA-N	1	0	364.405	1.597	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](OC)C4CCC4)C[C@H]32)nn1	ZINC001076336274	847883029	/nfs/dbraw/zinc/88/30/29/847883029.db2.gz	QROQFJNJDSEQIL-CGTJXYLNSA-N	1	0	359.474	1.426	20	30		FDEDRO
C=C(Br)CN1C[C@@H]2CCN(C(=O)CCc3cn[nH]c3)[C@@H]2C1	ZINC001076340915	847911387	/nfs/dbraw/zinc/91/13/87/847911387.db2.gz	XBSADMFPOSKIMR-UONOGXRCSA-N	1	0	353.264	1.784	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C)nc(C)n4)[C@@H]3C2)C1=O	ZINC001076357150	847949210	/nfs/dbraw/zinc/94/92/10/847949210.db2.gz	RCEYSBQWBUCLRA-CGTJXYLNSA-N	1	0	369.469	1.027	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4ccncn4)[C@@H]3C2)cc1	ZINC001076372078	847986276	/nfs/dbraw/zinc/98/62/76/847986276.db2.gz	JBCATTHGTMWVON-QFBILLFUSA-N	1	0	363.421	1.725	20	30		FDEDRO
CCn1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)nn1	ZINC001076411131	848076361	/nfs/dbraw/zinc/07/63/61/848076361.db2.gz	TVFMXBFUEKUZGG-FUHWJXTLSA-N	1	0	350.426	1.516	20	30		FDEDRO
C[C@H]1CCN(C(=O)C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1	ZINC001076443507	848128126	/nfs/dbraw/zinc/12/81/26/848128126.db2.gz	OTLHHKQKAPFHJK-ZYSHUDEJSA-N	1	0	366.465	1.459	20	30		FDEDRO
Cn1cccc(C(=O)N2CC[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@H]32)c1=O	ZINC001076473799	848233988	/nfs/dbraw/zinc/23/39/88/848233988.db2.gz	NUFGGTCCMQEWJC-AZUAARDMSA-N	1	0	361.445	1.583	20	30		FDEDRO
N#CC1(NC(=O)CNC(=O)N2CCCC2)CC[NH+](Cc2ccccc2)CC1	ZINC000901350833	848283764	/nfs/dbraw/zinc/28/37/64/848283764.db2.gz	WAEWXYMMUAYVCJ-UHFFFAOYSA-N	1	0	369.469	1.466	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN([C@@H](C)c4cnccn4)C[C@H]32)CC1	ZINC001076604500	848553924	/nfs/dbraw/zinc/55/39/24/848553924.db2.gz	JETPTTPYTZXIMO-XKGZKEIXSA-N	1	0	367.497	1.416	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(Cc4ccns4)C[C@H]32)CC1	ZINC001076605623	848556149	/nfs/dbraw/zinc/55/61/49/848556149.db2.gz	KERLHPKECYIQKC-FUHWJXTLSA-N	1	0	358.511	1.521	20	30		FDEDRO
CN1C[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)CCC1=O	ZINC001076609335	848561966	/nfs/dbraw/zinc/56/19/66/848561966.db2.gz	GPYKIHUJFJAMTK-IPMKNSEASA-N	1	0	366.465	1.459	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C	ZINC001076707248	848814679	/nfs/dbraw/zinc/81/46/79/848814679.db2.gz	SGMUKQYJZSNWSM-NXOAAHMSSA-N	1	0	353.507	1.709	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C	ZINC001076739290	848909757	/nfs/dbraw/zinc/90/97/57/848909757.db2.gz	QQRLKBDYHIMIJG-VVLHAWIVSA-N	1	0	353.507	1.565	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C3CC3)C[C@H]2O)c1	ZINC001076855614	849213205	/nfs/dbraw/zinc/21/32/05/849213205.db2.gz	DVYDHYVVNPFSDQ-RTBURBONSA-N	1	0	350.422	1.739	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC[C@H](C)NC(=O)C[C@@H]2C[C@H]2C2CC2)CC1	ZINC001076915800	849309845	/nfs/dbraw/zinc/30/98/45/849309845.db2.gz	IFDSCZKVINPREH-SNRMKQJTSA-N	1	0	359.514	1.779	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(C(N)=O)C1	ZINC000483279895	849433830	/nfs/dbraw/zinc/43/38/30/849433830.db2.gz	NQHUVPOBFXREOI-AUUYWEPGSA-N	1	0	358.442	1.528	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(N(C)C)c2)C[C@H]1O	ZINC001077019359	849553466	/nfs/dbraw/zinc/55/34/66/849553466.db2.gz	QOWKVZCZDPZLPU-WTGUMLROSA-N	1	0	373.497	1.395	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1O	ZINC001077092362	849731655	/nfs/dbraw/zinc/73/16/55/849731655.db2.gz	QJTHFMQSTVZGTM-BRWVUGGUSA-N	1	0	362.499	1.155	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1O	ZINC001077139052	849873492	/nfs/dbraw/zinc/87/34/92/849873492.db2.gz	VJTLGNMSBCXMSZ-NLWGTHIKSA-N	1	0	369.465	1.053	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CCO1	ZINC000903488264	850191695	/nfs/dbraw/zinc/19/16/95/850191695.db2.gz	WBIASIGCHPXHQG-TVQRCGJNSA-N	1	0	374.260	1.057	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1O	ZINC001077246838	850238126	/nfs/dbraw/zinc/23/81/26/850238126.db2.gz	JHIZZHVKEHVPQO-CGTJXYLNSA-N	1	0	360.454	1.595	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCCN2c2nc(C)cc(C#N)n2)CC[N@@H+]1C	ZINC001060184886	851443321	/nfs/dbraw/zinc/44/33/21/851443321.db2.gz	NTHFXYVVEIREPZ-OKZBNKHCSA-N	1	0	370.501	1.862	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCCN2c2cnc(C#N)cn2)CC[N@@H+]1C	ZINC001060185175	851557559	/nfs/dbraw/zinc/55/75/59/851557559.db2.gz	UFNXGLZYHSHZSO-IXDOHACOSA-N	1	0	356.474	1.554	20	30		FDEDRO
C=CCc1cc(C[NH2+]C[C@H](O)C[C@@]2(O)CCOC2)cc(OC)c1OC	ZINC000905080427	851632009	/nfs/dbraw/zinc/63/20/09/851632009.db2.gz	MFDLZHIINHKGHC-APWZRJJASA-N	1	0	351.443	1.424	20	30		FDEDRO
C[C@](O)(C[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)C(F)(F)C(F)(F)F	ZINC000905103632	851660882	/nfs/dbraw/zinc/66/08/82/851660882.db2.gz	KZJYIHOAHPYQSW-SVRRBLITSA-N	1	0	358.229	1.688	20	30		FDEDRO
CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NCC#CC[NH+](C)C	ZINC000913515236	862294538	/nfs/dbraw/zinc/29/45/38/862294538.db2.gz	OARHDXXSCMVDNM-MRXNPFEDSA-N	1	0	351.397	1.400	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Cc1csc(NC(=O)c2cccs2)n1	ZINC000913515596	862297431	/nfs/dbraw/zinc/29/74/31/862297431.db2.gz	DQCCVWQNOROPSI-UHFFFAOYSA-N	1	0	362.480	1.681	20	30		FDEDRO
C#CCN1CCC[C@@H]([NH2+]CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1	ZINC000905461221	851962821	/nfs/dbraw/zinc/96/28/21/851962821.db2.gz	PJJXWBHJQWHTDK-OHTSDLOESA-N	1	0	350.503	1.937	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](O)Cc2ccccc2F)cc1	ZINC000905471880	851970353	/nfs/dbraw/zinc/97/03/53/851970353.db2.gz	IFCALECPODQIIX-ROUUACIJSA-N	1	0	358.413	1.825	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1cc2c(cc1Br)NC(=O)CO2	ZINC000913521326	862307123	/nfs/dbraw/zinc/30/71/23/862307123.db2.gz	UGJNWASBERJXIW-UHFFFAOYSA-N	1	0	366.215	1.075	20	30		FDEDRO
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C[C@@H](O)c1ccc(C#N)cc1	ZINC000905654649	852122342	/nfs/dbraw/zinc/12/23/42/852122342.db2.gz	HHLKIKAMZYTQJG-BRWVUGGUSA-N	1	0	361.442	1.816	20	30		FDEDRO
N#CC1(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CCOCC1	ZINC000485546862	852487256	/nfs/dbraw/zinc/48/72/56/852487256.db2.gz	FAIUJIZXDOGIGR-UHFFFAOYSA-N	1	0	370.453	1.771	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1	ZINC000668510858	852500506	/nfs/dbraw/zinc/50/05/06/852500506.db2.gz	CGBHQVQFSLKVCE-MSOLQXFVSA-N	1	0	364.534	1.381	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2n(n1)CCCC2=O	ZINC000906247172	852695516	/nfs/dbraw/zinc/69/55/16/852695516.db2.gz	YLRPFBRMXATQAD-UHFFFAOYSA-N	1	0	365.437	1.935	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2	ZINC000906767842	853289271	/nfs/dbraw/zinc/28/92/71/853289271.db2.gz	UISWBYBMWIYUAD-LJQANCHMSA-N	1	0	356.426	1.638	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=O)C[NH2+]Cc2cccc(C#N)c2)CC1	ZINC000055178272	862464332	/nfs/dbraw/zinc/46/43/32/862464332.db2.gz	QVWPGPZNIIVNQL-UHFFFAOYSA-N	1	0	358.442	1.727	20	30		FDEDRO
C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)C1	ZINC000906952085	853623073	/nfs/dbraw/zinc/62/30/73/853623073.db2.gz	WCSHOQZNMCLECL-LLVKDONJSA-N	1	0	372.288	1.893	20	30		FDEDRO
COCCN1CC[C@H](NS(=O)(=O)c2c(C#N)sc3ccccc32)C1	ZINC000907142110	853856474	/nfs/dbraw/zinc/85/64/74/853856474.db2.gz	LUNHZONJYLTJJF-LBPRGKRZSA-N	1	0	365.480	1.772	20	30		FDEDRO
N#CCc1cccc(S(=O)(=O)NC2CC[NH+](C3CCOCC3)CC2)c1	ZINC000907327614	854081840	/nfs/dbraw/zinc/08/18/40/854081840.db2.gz	HMQGAISHXUFQTD-UHFFFAOYSA-N	1	0	363.483	1.674	20	30		FDEDRO
C[N@@H+]1CCC[C@@](O)(CC(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1	ZINC000907613982	854457869	/nfs/dbraw/zinc/45/78/69/854457869.db2.gz	KXHNFJKIUMBVGW-LBXVMSDZSA-N	1	0	372.469	1.606	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N[C@H](C)[C@H](C)C(=O)Nc1nnc(CC)s1	ZINC000908180477	855129808	/nfs/dbraw/zinc/12/98/08/855129808.db2.gz	JJLJZZKJWXHIGH-NWDGAFQWSA-N	1	0	353.492	1.688	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CC(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1	ZINC000908185035	855154274	/nfs/dbraw/zinc/15/42/74/855154274.db2.gz	CVOJJRPUSZOMTM-LJQANCHMSA-N	1	0	368.481	1.529	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CC/C=C/c2ccccc2)C[C@H]1OC	ZINC001212150194	862662955	/nfs/dbraw/zinc/66/29/55/862662955.db2.gz	RAQPSSSFLFEQIM-BLRGSVSVSA-N	1	0	369.465	1.045	20	30		FDEDRO
CC(C)[NH+]1CCN(CCC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1	ZINC000908348193	855326590	/nfs/dbraw/zinc/32/65/90/855326590.db2.gz	VFPOTSQFNDNGBD-SFHVURJKSA-N	1	0	371.485	1.349	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)c1sccc1S(N)(=O)=O)C(C)C	ZINC000668682514	855391724	/nfs/dbraw/zinc/39/17/24/855391724.db2.gz	IQVQQOLIPLSHCM-CYBMUJFWSA-N	1	0	371.528	1.824	20	30		FDEDRO
CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc(C#N)o2)[NH+](C)C)cc1	ZINC000908460674	855446590	/nfs/dbraw/zinc/44/65/90/855446590.db2.gz	XDOXUMVVISIWRE-MRXNPFEDSA-N	1	0	362.455	1.798	20	30		FDEDRO
C=CCn1c(-c2ncnc3[nH]cnc32)nnc1N1CC[C@H]2[C@@H](CC[N@H+]2C)C1	ZINC000908715797	855720194	/nfs/dbraw/zinc/72/01/94/855720194.db2.gz	URTOHPJLYFUPIM-STQMWFEESA-N	1	0	365.445	1.279	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1	ZINC000669273750	862776014	/nfs/dbraw/zinc/77/60/14/862776014.db2.gz	HCLHMGWKBUZDGV-INIZCTEOSA-N	1	0	374.485	1.453	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC1CC[NH+](CCCOC)CC1	ZINC000668789470	856609252	/nfs/dbraw/zinc/60/92/52/856609252.db2.gz	XALYNCBHSYAWBY-AEFFLSMTSA-N	1	0	365.518	1.855	20	30		FDEDRO
COc1cc(C#N)ccc1C(=O)OCC(=O)NC1CC[NH+](C(C)C)CC1	ZINC000910247546	856997320	/nfs/dbraw/zinc/99/73/20/856997320.db2.gz	OAJHNSSXQNERPB-UHFFFAOYSA-N	1	0	359.426	1.713	20	30		FDEDRO
C#CCC[NH+]1CCN(c2c(C(=O)[O-])c[nH+]c3cc4c(cc32)OCO4)CC1	ZINC000910347262	857093249	/nfs/dbraw/zinc/09/32/49/857093249.db2.gz	VSOHEKUFUFZMJO-UHFFFAOYSA-N	1	0	353.378	1.807	20	30		FDEDRO
C#CCCCc1nnc(N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)n1Cc1cc(C)on1	ZINC000910523602	857273154	/nfs/dbraw/zinc/27/31/54/857273154.db2.gz	GHLUIMAFEGIKRZ-UZLBHIALSA-N	1	0	368.485	1.967	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1	ZINC000910583222	857348154	/nfs/dbraw/zinc/34/81/54/857348154.db2.gz	HAFAUUJZMRDKPK-LAUBAEHRSA-N	1	0	371.481	1.620	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCC[C@H](n2ccnc2)C1	ZINC000910608333	857366652	/nfs/dbraw/zinc/36/66/52/857366652.db2.gz	BICGVSYEFWNFKG-AWEZNQCLSA-N	1	0	357.439	1.638	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@H]2Cc2cnn(C)c2)CC1	ZINC000668835697	857452177	/nfs/dbraw/zinc/45/21/77/857452177.db2.gz	HPMGZSSVBJHQQN-FUHWJXTLSA-N	1	0	373.501	1.014	20	30		FDEDRO
C=C(C)Cn1c(-c2ncccn2)nnc1N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000669319558	862923308	/nfs/dbraw/zinc/92/33/08/862923308.db2.gz	AFKUOVXNDGDCHD-MRXNPFEDSA-N	1	0	371.489	1.858	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1	ZINC000910706463	857551263	/nfs/dbraw/zinc/55/12/63/857551263.db2.gz	FCVJJNIILFCKLW-ZBFHGGJFSA-N	1	0	360.483	1.521	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)C(C)(F)F)C[C@H]2C)c1	ZINC001105757171	862947454	/nfs/dbraw/zinc/94/74/54/862947454.db2.gz	QGSPXWPEUKZNMJ-UKRRQHHQSA-N	1	0	363.408	1.946	20	30		FDEDRO
CC(C)[N@H+](CCO)CC1CCN(C(=O)COc2ccccc2C#N)CC1	ZINC000910850288	857767647	/nfs/dbraw/zinc/76/76/47/857767647.db2.gz	DCWRWIAAKIOKAS-UHFFFAOYSA-N	1	0	359.470	1.878	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1)c1ccncc1	ZINC000911003674	858023351	/nfs/dbraw/zinc/02/33/51/858023351.db2.gz	XGPIKUJKHHPVNW-JHJVBQTASA-N	1	0	356.348	1.163	20	30		FDEDRO
CCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#Cc2ccccc2)[C@H](C)C1	ZINC001105763385	862989734	/nfs/dbraw/zinc/98/97/34/862989734.db2.gz	ZBJGGUXDDFPIQK-IEBWSBKVSA-N	1	0	355.482	1.639	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CCCC[C@H]1C1(C[NH3+])CCC1	ZINC000911330457	858471028	/nfs/dbraw/zinc/47/10/28/858471028.db2.gz	PDNRTPWWABBDNU-HNNXBMFYSA-N	1	0	353.532	1.922	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1C#N	ZINC000911431770	858613324	/nfs/dbraw/zinc/61/33/24/858613324.db2.gz	HUWZFKZMCALHAQ-GOSISDBHSA-N	1	0	354.454	1.474	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+]	ZINC000911517042	858726332	/nfs/dbraw/zinc/72/63/32/858726332.db2.gz	GFWPSJAPRQPPRN-WOJBJXKFSA-N	1	0	363.461	1.985	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ncsc2C(C)C)C[C@H]1C	ZINC001106864640	881369511	/nfs/dbraw/zinc/36/95/11/881369511.db2.gz	UKKMSLRWOSQPQG-ZIAGYGMSSA-N	1	0	362.499	1.314	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cn(C)nc2Cl)C[C@H]1C	ZINC001106865296	881389792	/nfs/dbraw/zinc/38/97/92/881389792.db2.gz	FWFGMDOBIRUWGY-JHJVBQTASA-N	1	0	367.881	1.062	20	30		FDEDRO
C[C@H](C(=O)Nc1ccccc1C#N)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000489156750	859305804	/nfs/dbraw/zinc/30/58/04/859305804.db2.gz	MWCKLOIHPRUHCP-MRXNPFEDSA-N	1	0	369.469	1.125	20	30		FDEDRO
C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC#C[Si](C)(C)C	ZINC000912335297	859650643	/nfs/dbraw/zinc/65/06/43/859650643.db2.gz	BZDSLNMRVIDDGA-AWEZNQCLSA-N	1	0	355.555	1.828	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C)[C@H](C)C2)c1	ZINC000994248045	881453763	/nfs/dbraw/zinc/45/37/63/881453763.db2.gz	ZHQMKNWADGRWKJ-LZQZEXGQSA-N	1	0	368.481	1.372	20	30		FDEDRO
CCC[NH+]=C(NCc1ccc(OCC(N)=O)c(OC)c1)NC(C)(C)C	ZINC000912509804	859833804	/nfs/dbraw/zinc/83/38/04/859833804.db2.gz	RVULPXVZEUEWEL-UHFFFAOYSA-N	1	0	350.463	1.803	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	ZINC000668992030	860041273	/nfs/dbraw/zinc/04/12/73/860041273.db2.gz	KKNQMMLLGADUHU-IAGOWNOFSA-N	1	0	364.534	1.380	20	30		FDEDRO
C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000912807205	860247918	/nfs/dbraw/zinc/24/79/18/860247918.db2.gz	JFMVBSSHDILYQM-MAUKXSAKSA-N	1	0	356.470	1.867	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)N2CCCC2=O)C[C@H]1C	ZINC001106870753	881543514	/nfs/dbraw/zinc/54/35/14/881543514.db2.gz	BTABQPSLOAJWTE-BRWVUGGUSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCN(C2CC2)CC1	ZINC000669034956	860848054	/nfs/dbraw/zinc/84/80/54/860848054.db2.gz	FMAARBLUOPYXFX-SJORKVTESA-N	1	0	358.490	1.284	20	30		FDEDRO
C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H]1CCN(OC)C1=O	ZINC000916410383	881589777	/nfs/dbraw/zinc/58/97/77/881589777.db2.gz	SUXQWHAHMGKEMW-CQSZACIVSA-N	1	0	365.503	1.747	20	30		FDEDRO
C=CCn1c(-c2nnn(C)c2C)nnc1N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000669053249	861155453	/nfs/dbraw/zinc/15/54/53/861155453.db2.gz	BMTARWMUSVAJAM-HNNXBMFYSA-N	1	0	374.493	1.115	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1C	ZINC001105775500	863093941	/nfs/dbraw/zinc/09/39/41/863093941.db2.gz	FUOABBUNYGLXKG-HZPDHXFCSA-N	1	0	359.474	1.199	20	30		FDEDRO
CC(C)=CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#Cc2ccccc2)[C@H](C)C1	ZINC001105784925	863172390	/nfs/dbraw/zinc/17/23/90/863172390.db2.gz	ATZJKGXWJVEKIL-UYAOXDASSA-N	1	0	367.493	1.805	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)NC(N)=O)C[C@H]1C(F)(F)F	ZINC001112101181	863277216	/nfs/dbraw/zinc/27/72/16/863277216.db2.gz	BNRAGJIRFJZWDQ-IJLUTSLNSA-N	1	0	350.385	1.378	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cn(C3CCC3)nn2)C[C@H]1C(F)(F)F	ZINC001112102477	863344905	/nfs/dbraw/zinc/34/49/05/863344905.db2.gz	KXFIFVKEXFKWGJ-CHWSQXEVSA-N	1	0	355.364	1.619	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]CCNC(=O)NC(C)(C)C	ZINC001105846320	863476179	/nfs/dbraw/zinc/47/61/79/863476179.db2.gz	RGRANGMAYKRJHO-ZIAGYGMSSA-N	1	0	369.535	1.025	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CSCC#N)C2)C1=O	ZINC001111600465	863646129	/nfs/dbraw/zinc/64/61/29/863646129.db2.gz	UOPDLRAVQPHRKS-DAYGRLMNSA-N	1	0	362.499	1.001	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000761021028	863781129	/nfs/dbraw/zinc/78/11/29/863781129.db2.gz	ZKUWOHQLJZRIFJ-ZFWWWQNUSA-N	1	0	360.389	1.410	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cncc(OC)n2)[C@H](C)C1	ZINC001105909210	863906195	/nfs/dbraw/zinc/90/61/95/863906195.db2.gz	FYMLXGAFRWGGPS-OWCLPIDISA-N	1	0	362.474	1.651	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCS2(=O)=O)C[C@H]1C(F)(F)F	ZINC001112113270	863954060	/nfs/dbraw/zinc/95/40/60/863954060.db2.gz	LWSWPNNJDSYUKB-UPJWGTAASA-N	1	0	368.421	1.509	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccnc(OC)n2)[C@H](C)C1	ZINC001105915099	863972988	/nfs/dbraw/zinc/97/29/88/863972988.db2.gz	RYJXRIRATPMMOD-BZUAXINKSA-N	1	0	362.474	1.651	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)COCc2ccco2)[C@H](C)C1	ZINC001105922842	864025997	/nfs/dbraw/zinc/02/59/97/864025997.db2.gz	ARTAPOCEBDNNCI-ZACQAIPSSA-N	1	0	350.459	1.807	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCOCCC(C)C)[C@H](C)C1	ZINC001105924668	864040712	/nfs/dbraw/zinc/04/07/12/864040712.db2.gz	VPIJIOXHXALLRD-QZTJIDSGSA-N	1	0	367.534	1.816	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NC(C)(C)C)[C@H](C)C1	ZINC001105929596	864069511	/nfs/dbraw/zinc/06/95/11/864069511.db2.gz	YRWLOSFNUDGWNP-RBSFLKMASA-N	1	0	366.506	1.650	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccc(F)c(F)c2)[C@H](C)C1	ZINC001105946045	864188753	/nfs/dbraw/zinc/18/87/53/864188753.db2.gz	JPNCXUDVKNLDTR-JHJVBQTASA-N	1	0	364.396	1.747	20	30		FDEDRO
CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1	ZINC000761133530	864194264	/nfs/dbraw/zinc/19/42/64/864194264.db2.gz	ZECVXDVOQQCOTL-UHFFFAOYSA-N	1	0	362.405	1.515	20	30		FDEDRO
COCCOCC(=O)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2C#N)[C@H](C)C1	ZINC001105952459	864212937	/nfs/dbraw/zinc/21/29/37/864212937.db2.gz	YNEADOOWZQDDJJ-RHSMWYFYSA-N	1	0	363.433	1.544	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]CC(=O)N1CCC[C@H](C)C1	ZINC001105985224	864345367	/nfs/dbraw/zinc/34/53/67/864345367.db2.gz	FAVZVPMCVLLAOF-ZMSDIMECSA-N	1	0	371.485	1.443	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]Cc2c(C)nnn2CC)[C@H](C)C1	ZINC001105987755	864365602	/nfs/dbraw/zinc/36/56/02/864365602.db2.gz	PMLTXAPXQSXQSH-NVXWUHKLSA-N	1	0	363.506	1.773	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccn(C)c2)C[C@H]1C	ZINC001106008588	864604730	/nfs/dbraw/zinc/60/47/30/864604730.db2.gz	WIXAXNVHVCOFDS-SJLPKXTDSA-N	1	0	358.486	1.523	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(Cl)c2)[C@H](C)C1	ZINC001106029475	864882845	/nfs/dbraw/zinc/88/28/45/864882845.db2.gz	UBVCVDZGJTWUDH-GDBMZVCRSA-N	1	0	361.873	1.664	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]CCOCC(F)(F)F	ZINC001106029493	864883709	/nfs/dbraw/zinc/88/37/09/864883709.db2.gz	UZVADTFWIBIFHI-DGCLKSJQSA-N	1	0	358.364	1.763	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2coc(C)n2)C[C@H]1C	ZINC001106047777	864989214	/nfs/dbraw/zinc/98/92/14/864989214.db2.gz	POWIOBDNXMCQFP-UKRRQHHQSA-N	1	0	361.446	1.043	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2c(C)n[nH]c2C)[C@H](C)C1	ZINC001106056750	865057119	/nfs/dbraw/zinc/05/71/19/865057119.db2.gz	FDQPGISDABKBPT-CZUORRHYSA-N	1	0	359.474	1.453	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)n2C2CC2)[C@H](C)C1	ZINC001106058758	865064327	/nfs/dbraw/zinc/06/43/27/865064327.db2.gz	HRLVBHDMNMOHIJ-MUKKUYKPSA-N	1	0	361.490	1.433	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2)C[C@H]1OC	ZINC001212189076	865185901	/nfs/dbraw/zinc/18/59/01/865185901.db2.gz	QGWARYGHHYRVON-QXAKKESOSA-N	1	0	360.454	1.045	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ncccc3C)[C@@H]2C)nn1	ZINC001088910926	865397226	/nfs/dbraw/zinc/39/72/26/865397226.db2.gz	PRUVXGXUTXDEHY-CVEARBPZSA-N	1	0	354.458	1.950	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C(F)F)C[C@H]1C	ZINC001106077317	865551862	/nfs/dbraw/zinc/55/18/62/865551862.db2.gz	KEPMIZLPCVIPGG-WCVJEAGWSA-N	1	0	369.456	1.772	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)CN(CN3CC[C@H]([NH+]4CC=CC4)C3)C2=O)cc1	ZINC000172930942	865845663	/nfs/dbraw/zinc/84/56/63/865845663.db2.gz	KHSCWMZODWUCHY-SFHVURJKSA-N	1	0	365.437	1.226	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)[C@@H]2C)nc1	ZINC001088987410	865928931	/nfs/dbraw/zinc/92/89/31/865928931.db2.gz	AFBGKVSWRLXATK-PBHICJAKSA-N	1	0	350.422	1.154	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)[C@@H]2C)cn1	ZINC001088990806	865950925	/nfs/dbraw/zinc/95/09/25/865950925.db2.gz	QVDUCCOUKNPZOG-KDOFPFPSSA-N	1	0	350.422	1.154	20	30		FDEDRO
Cc1ccc(=O)n(CC(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)n1	ZINC001088995094	865965033	/nfs/dbraw/zinc/96/50/33/865965033.db2.gz	YXFFUVBNPCMVAP-QAPCUYQASA-N	1	0	365.437	1.203	20	30		FDEDRO
CC(=O)N1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)CC1	ZINC001089029705	866146938	/nfs/dbraw/zinc/14/69/38/866146938.db2.gz	OMVGYODQGQXWRW-QRWLVFNGSA-N	1	0	368.481	1.896	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1OC	ZINC001212194695	866231415	/nfs/dbraw/zinc/23/14/15/866231415.db2.gz	WGKXJUGSEPCQJO-JFIYKMOQSA-N	1	0	352.500	1.823	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@H]1OC	ZINC001212194775	866270965	/nfs/dbraw/zinc/27/09/65/866270965.db2.gz	WSIIGJFKTODGSN-QWFCFKBJSA-N	1	0	362.470	1.346	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001089076737	866551068	/nfs/dbraw/zinc/55/10/68/866551068.db2.gz	UAHFOADEYKVUAU-COXVUDFISA-N	1	0	355.442	1.180	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1	ZINC000992032139	867301933	/nfs/dbraw/zinc/30/19/33/867301933.db2.gz	PCCAMYJWKWSXHB-SZMVWBNQSA-N	1	0	363.502	1.273	20	30		FDEDRO
Cc1cc(C(=O)N2CCN(c3ccc(C[NH+](C)C)cn3)CC2)ncc1C#N	ZINC000457563694	867545115	/nfs/dbraw/zinc/54/51/15/867545115.db2.gz	GSPDBZPLUMFPKC-UHFFFAOYSA-N	1	0	364.453	1.681	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)COCc2cccc(OC)c2)c1C#N	ZINC000535511606	867724014	/nfs/dbraw/zinc/72/40/14/867724014.db2.gz	UQFNRMPTYRHDSH-UHFFFAOYSA-N	1	0	357.414	1.597	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1	ZINC000459908422	867924044	/nfs/dbraw/zinc/92/40/44/867924044.db2.gz	BBQZTCJSMVPDKB-UHFFFAOYSA-N	1	0	368.481	1.994	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1CC(N)=NOCC(=O)NC[C@@H]1Cc2ccccc2O1	ZINC000151530655	867982167	/nfs/dbraw/zinc/98/21/67/867982167.db2.gz	JEAHJLVAKAFALT-ZBFHGGJFSA-N	1	0	360.458	1.270	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC2(F)F)C[C@H]1C	ZINC001106094805	867983265	/nfs/dbraw/zinc/98/32/65/867983265.db2.gz	ZLWGYRPXJBTJKZ-KFWWJZLASA-N	1	0	355.429	1.526	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C[C@@H](O)c3ccc(F)cc3)C[C@H]2O)cc1	ZINC001077495116	867986468	/nfs/dbraw/zinc/98/64/68/867986468.db2.gz	RRGGIZJSNJMZAN-VAMGGRTRSA-N	1	0	368.408	1.316	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCC2CC(NC(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000992158475	868075631	/nfs/dbraw/zinc/07/56/31/868075631.db2.gz	XIBHFBVLKQCNLT-MPCAOIJTSA-N	1	0	357.458	1.241	20	30		FDEDRO
COc1ccccc1NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C	ZINC001106101242	868101524	/nfs/dbraw/zinc/10/15/24/868101524.db2.gz	PBNVXYUSAWTUKM-NVXWUHKLSA-N	1	0	369.465	1.731	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+][C@H](C(N)=O)c1ccc(F)cc1	ZINC001106101227	868102074	/nfs/dbraw/zinc/10/20/74/868102074.db2.gz	OGETWLUZGAOYQG-NRXGSXMXSA-N	1	0	357.429	1.450	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@@H](C)c2ccco2)[C@H](C)C1	ZINC001106105447	868139445	/nfs/dbraw/zinc/13/94/45/868139445.db2.gz	UTXODWRSQSVSBN-IXDOHACOSA-N	1	0	359.470	1.800	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]CC(=O)N1CCc2ccccc21	ZINC001106106357	868176185	/nfs/dbraw/zinc/17/61/85/868176185.db2.gz	SWOCWHMQROYSGT-VQIMIIECSA-N	1	0	365.477	1.673	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@H+](CC(=O)N(C)C1CC1)CC2	ZINC000992179772	868183954	/nfs/dbraw/zinc/18/39/54/868183954.db2.gz	NQQXSVBKDLSGDL-YLAKUSLOSA-N	1	0	361.486	1.312	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC2CC(NC(=O)[C@@H]3C[C@H]3CCC)C2)CC1	ZINC000992184938	868215325	/nfs/dbraw/zinc/21/53/25/868215325.db2.gz	PPVBEXAOUOJNEE-DZQINNCISA-N	1	0	359.514	1.779	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C[NH2+]Cc1nnnn1C(C)(C)C	ZINC001106109738	868309896	/nfs/dbraw/zinc/30/98/96/868309896.db2.gz	SKQOUYRAQZWVQX-HUUCEWRRSA-N	1	0	360.506	1.662	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc3c(c2)nnn3C)[C@H](C)C1	ZINC001106111769	868394484	/nfs/dbraw/zinc/39/44/84/868394484.db2.gz	RMYMXTKEGVHMDA-BFYDXBDKSA-N	1	0	369.469	1.191	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH+]1CCC(Cc2ccccc2C(=O)OC)CC1	ZINC000463227582	868407805	/nfs/dbraw/zinc/40/78/05/868407805.db2.gz	HGEVHKQSDBRAHT-UHFFFAOYSA-N	1	0	373.453	1.740	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C#N)ccc2OC)C[C@H]1C	ZINC000443354041	868459601	/nfs/dbraw/zinc/45/96/01/868459601.db2.gz	HZIXZDMUISJPER-HIFRSBDPSA-N	1	0	358.442	1.837	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCO[C@H](C)CC(C)C)C[C@H]1C	ZINC001106114172	868480795	/nfs/dbraw/zinc/48/07/95/868480795.db2.gz	WFZDNIUMZCTWDA-KZNAEPCWSA-N	1	0	367.534	1.814	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccc(F)cc2)[C@H](C)C1	ZINC001106114555	868496590	/nfs/dbraw/zinc/49/65/90/868496590.db2.gz	CDEQLWSMRYKOIP-IEBWSBKVSA-N	1	0	356.441	1.901	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2ccc3c(c2)COC3)[C@H](C)C1	ZINC001106115307	868522363	/nfs/dbraw/zinc/52/23/63/868522363.db2.gz	SPPGNJKTUQXPNI-OXQOHEQNSA-N	1	0	356.466	1.941	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CCCCCn2cncn2)[C@H](C)C1	ZINC001106116351	868572759	/nfs/dbraw/zinc/57/27/59/868572759.db2.gz	AVWGWDZBXIIPLD-KZNAEPCWSA-N	1	0	361.490	1.171	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]C[C@H](OC)C2CCCC2)[C@H](C)C1	ZINC001106117120	868580126	/nfs/dbraw/zinc/58/01/26/868580126.db2.gz	GOAWWBUNIBFVEY-QRQLOZEOSA-N	1	0	350.503	1.916	20	30		FDEDRO
C#Cc1ccc(C(=O)NCC2CC(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nc1	ZINC000992262685	868664662	/nfs/dbraw/zinc/66/46/62/868664662.db2.gz	IJTGICBQYYZSJM-BXNZUYAZSA-N	1	0	368.481	1.418	20	30		FDEDRO
C=CCCOCCCCC(=O)N1C[C@@H](C[NH2+]Cc2cnnn2C)[C@H](C)C1	ZINC001106123086	868885332	/nfs/dbraw/zinc/88/53/32/868885332.db2.gz	JNGAMJRQNXIGNO-IAGOWNOFSA-N	1	0	363.506	1.762	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2coc(C(C)(C)C)n2)C[C@H]1C	ZINC001106123899	868906017	/nfs/dbraw/zinc/90/60/17/868906017.db2.gz	CXDGVKIOJNWGTM-ZIAGYGMSSA-N	1	0	360.458	1.019	20	30		FDEDRO
C=C[C@@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1	ZINC000465339029	869213407	/nfs/dbraw/zinc/21/34/07/869213407.db2.gz	SVBJSCFEUHNWGU-CQSZACIVSA-N	1	0	358.442	1.094	20	30		FDEDRO
C=C[C@@H](C)NC(=O)C(=O)Nc1cccc(C(=O)NCC[NH+](CC)CC)c1	ZINC000465343098	869214236	/nfs/dbraw/zinc/21/42/36/869214236.db2.gz	LZJXQCFFCDDDOD-CQSZACIVSA-N	1	0	360.458	1.387	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)C23CC[NH+](CC2)C3)C1	ZINC001060419712	869469761	/nfs/dbraw/zinc/46/97/61/869469761.db2.gz	HICLKYHPMZLYLG-ZACQAIPSSA-N	1	0	361.486	1.028	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@@H]1O	ZINC001083853492	882319958	/nfs/dbraw/zinc/31/99/58/882319958.db2.gz	YZNSFLCWDWHSTQ-RDGPPVDQSA-N	1	0	366.502	1.336	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1	ZINC000913871511	869842493	/nfs/dbraw/zinc/84/24/93/869842493.db2.gz	GCXHIUXQZAOAKW-MJGOQNOKSA-N	1	0	359.470	1.906	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]nc3c2CCCC3)C[C@H]1C	ZINC001106133125	869980144	/nfs/dbraw/zinc/98/01/44/869980144.db2.gz	HQNFIHVVZQHXSS-HZPDHXFCSA-N	1	0	360.502	1.718	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)NCC#Cc1ccccc1)C2	ZINC000913984394	870222878	/nfs/dbraw/zinc/22/28/78/870222878.db2.gz	SBYSAYZQQUPBLS-ANTGDGSKSA-N	1	0	355.482	1.817	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNS(=O)(=O)Cc2csc(C#N)c2)CC1	ZINC000914077929	870640086	/nfs/dbraw/zinc/64/00/86/870640086.db2.gz	BYNKCOAPNIPLNZ-UHFFFAOYSA-N	1	0	371.528	1.929	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C)cn1	ZINC000994385783	882490616	/nfs/dbraw/zinc/49/06/16/882490616.db2.gz	HGYSIFPLTATSTG-NVXWUHKLSA-N	1	0	368.481	1.372	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc3occc3c2)C[C@H]1C	ZINC001106157131	871475516	/nfs/dbraw/zinc/47/55/16/871475516.db2.gz	FKTQUTFDAJJVJC-IIDMSEBBSA-N	1	0	367.449	1.868	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)NC(=O)COC)C[C@H]1C	ZINC001106167694	871537012	/nfs/dbraw/zinc/53/70/12/871537012.db2.gz	IXLUEZQPKVKEJU-IXDOHACOSA-N	1	0	355.523	1.792	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)[C@@H](C)C4CC4)C[C@]3(C)C2)CC1	ZINC000992741707	871781622	/nfs/dbraw/zinc/78/16/22/871781622.db2.gz	CKTCBCDQEHRZDL-XWFZLUIHSA-N	1	0	371.525	1.685	20	30		FDEDRO
CC(C)[C@@H]([NH2+]Cc1csc(C#N)c1)C(=O)N(C)Cc1nnc2n1CCC2	ZINC000922076431	871879505	/nfs/dbraw/zinc/87/95/05/871879505.db2.gz	KLWDXEKXKVNQQK-QGZVFWFLSA-N	1	0	372.498	1.930	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@]3(C)C2)CC[N@@H+]1C	ZINC000992760108	871940611	/nfs/dbraw/zinc/94/06/11/871940611.db2.gz	NIUVDXATKWVPCI-CQNRTFJUSA-N	1	0	369.469	1.147	20	30		FDEDRO
C#CC[C@@H](CO)[NH2+][C@@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000922140359	872390460	/nfs/dbraw/zinc/39/04/60/872390460.db2.gz	HHWUFDUJSMLISN-CVEARBPZSA-N	1	0	352.475	1.909	20	30		FDEDRO
C[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@]3(C)C2)CC1	ZINC000992810103	872441564	/nfs/dbraw/zinc/44/15/64/872441564.db2.gz	SWHQYLZYPLERJJ-QRWLVFNGSA-N	1	0	369.469	1.149	20	30		FDEDRO
C#CCN(C(=O)N[C@@H](CC(=O)N(C)C)c1ccccc1)C1CC[NH+](C)CC1	ZINC000914364671	872528279	/nfs/dbraw/zinc/52/82/79/872528279.db2.gz	CSFAQZNJYLOTHL-IBGZPJMESA-N	1	0	370.497	1.945	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)COCCOc2ccccc2)[C@H](OC)C1	ZINC001212504864	872867687	/nfs/dbraw/zinc/86/76/87/872867687.db2.gz	ZGQCNVXKMFCUOW-RTBURBONSA-N	1	0	362.470	1.864	20	30		FDEDRO
C[C@H]1CN(C(=O)c2cc(C#N)cc(N(C)C)c2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000494131866	872924622	/nfs/dbraw/zinc/92/46/22/872924622.db2.gz	WOYKVJWFOMTVPB-OXJNMPFZSA-N	1	0	369.513	1.722	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(CCC)[C@H]2CC[N@H+](C)C2)cc1	ZINC000649003555	882671466	/nfs/dbraw/zinc/67/14/66/882671466.db2.gz	FWRXAYJSNCHBEA-INIZCTEOSA-N	1	0	365.499	1.707	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc3ccccc3c(=O)o2)C[C@H]1C	ZINC001106182358	873029866	/nfs/dbraw/zinc/02/98/66/873029866.db2.gz	QFFPFVVWKWFXTJ-NVXWUHKLSA-N	1	0	368.433	1.741	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCc2c(C)nc[nH]c2=O)[C@H](OC)C1	ZINC001212509621	873107370	/nfs/dbraw/zinc/10/73/70/873107370.db2.gz	GVQQQQZUEKDECM-KBRIMQKVSA-N	1	0	362.474	1.593	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C)C2CC2)CC1	ZINC001003363571	873217289	/nfs/dbraw/zinc/21/72/89/873217289.db2.gz	QVVCGCACSSCAIO-AXUOBQJMSA-N	1	0	357.498	1.626	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2ccco2)CC1	ZINC001003365682	873244241	/nfs/dbraw/zinc/24/42/41/873244241.db2.gz	PMKQDKDJARCUPK-QRQLOZEOSA-N	1	0	369.465	1.415	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CC)[C@H](C)C1)OCC	ZINC001106197174	873470597	/nfs/dbraw/zinc/47/05/97/873470597.db2.gz	KBUZKZYKXNFLRA-BRWVUGGUSA-N	1	0	363.506	1.853	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C[C@H]1C	ZINC001106201208	873656381	/nfs/dbraw/zinc/65/63/81/873656381.db2.gz	XNLWYFGGMWAVOO-BRWVUGGUSA-N	1	0	365.518	1.520	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)C=C4CCC4)C[C@@]3(C)C2)CC1	ZINC000993021462	873726060	/nfs/dbraw/zinc/72/60/60/873726060.db2.gz	VKDNAGDCRPWKNV-KNQAVFIVSA-N	1	0	369.509	1.749	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C[C@@H](C)N1CC#N	ZINC000916992617	882769042	/nfs/dbraw/zinc/76/90/42/882769042.db2.gz	RTRAEPABJFJEHY-IAGOWNOFSA-N	1	0	363.506	1.259	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCC(F)(F)C2)C[C@H]1C	ZINC001106225739	873971246	/nfs/dbraw/zinc/97/12/46/873971246.db2.gz	FEXCBNXTMUBKRA-RBSFLKMASA-N	1	0	355.429	1.245	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cnc3[nH]c(C)nc3c2)C[C@H]1C	ZINC001106232005	874032452	/nfs/dbraw/zinc/03/24/52/874032452.db2.gz	CHYDPVLNAWRZGM-CZUORRHYSA-N	1	0	357.458	1.767	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2c(Cl)n[nH]c2C2CC2)C[C@H]1C	ZINC001106232929	874038640	/nfs/dbraw/zinc/03/86/40/874038640.db2.gz	PWGQASSKHCGDNB-TZMCWYRMSA-N	1	0	364.877	1.888	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3cnc(C)o3)[C@H](C)C2)CCOCC1	ZINC001106235192	874046954	/nfs/dbraw/zinc/04/69/54/874046954.db2.gz	LXKPYLOEHZAVGS-NVXWUHKLSA-N	1	0	359.470	1.987	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CC)[C@H](C)C1	ZINC001106252797	874150480	/nfs/dbraw/zinc/15/04/80/874150480.db2.gz	SECOOILLVJQTER-IAGOWNOFSA-N	1	0	360.502	1.840	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C[C@H]1C	ZINC001106266335	874260797	/nfs/dbraw/zinc/26/07/97/874260797.db2.gz	DCQHMTOHFIRYCD-RWQQGDIJSA-N	1	0	358.486	1.595	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@]2(C)C1	ZINC000993099377	874383206	/nfs/dbraw/zinc/38/32/06/874383206.db2.gz	XSZSRVKVPKCTOG-SYNHAJSKSA-N	1	0	369.469	1.291	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106283881	874436445	/nfs/dbraw/zinc/43/64/45/874436445.db2.gz	ZOIIYOMAYDALHU-SZVBFZGTSA-N	1	0	371.456	1.388	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@H]1C	ZINC001106316156	874759445	/nfs/dbraw/zinc/75/94/45/874759445.db2.gz	GOHAHLCGLHQZRH-HLLBOEOZSA-N	1	0	368.543	1.850	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COC)[C@H](C)C1	ZINC001106331125	874803762	/nfs/dbraw/zinc/80/37/62/874803762.db2.gz	OKKDXQUUAAEXSM-BRWVUGGUSA-N	1	0	362.470	1.556	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106330928	874804004	/nfs/dbraw/zinc/80/40/04/874804004.db2.gz	IKISXERNDTYVQH-HZPDHXFCSA-N	1	0	370.453	1.189	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CCC(C)(F)F)C[C@H]2C)C1=O	ZINC001106335395	874808949	/nfs/dbraw/zinc/80/89/49/874808949.db2.gz	SLNHAAYUHCOVBO-RBSFLKMASA-N	1	0	357.445	1.893	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(COCC)CC2)C[C@H]1C	ZINC001106339659	874833077	/nfs/dbraw/zinc/83/30/77/874833077.db2.gz	XVFVPIZVKKWEBE-BZUAXINKSA-N	1	0	351.491	1.178	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2c(C)[nH]cc2NC(C)=O)C[C@H]1C	ZINC001106349325	874865984	/nfs/dbraw/zinc/86/59/84/874865984.db2.gz	JGHQGAWHDVMXNA-CZUORRHYSA-N	1	0	362.474	1.782	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CCOC[C@H]2CCCO2)C[C@H]1C	ZINC001106363265	874914990	/nfs/dbraw/zinc/91/49/90/874914990.db2.gz	FPHJIQHUJUBIHQ-KZNAEPCWSA-N	1	0	354.491	1.459	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccnc3c2CC(=O)N3)C[C@H]1C	ZINC001106374019	874962173	/nfs/dbraw/zinc/96/21/73/874962173.db2.gz	YVDFAURODCJWFJ-ZIAGYGMSSA-N	1	0	358.442	1.077	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc3cnccc3o2)C[C@H]1C	ZINC001106378374	874989552	/nfs/dbraw/zinc/98/95/52/874989552.db2.gz	OQURLZOONUXRQW-IJEWVQPXSA-N	1	0	370.453	1.816	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(C)cc2)C[C@H]1C	ZINC001106390879	875053146	/nfs/dbraw/zinc/05/31/46/875053146.db2.gz	IZYDKKWUABSIKM-ZHALLVOQSA-N	1	0	357.498	1.912	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C)c(OC)c2)C[C@H]1C	ZINC001106394978	875084966	/nfs/dbraw/zinc/08/49/66/875084966.db2.gz	LSSUFVFQFIFTGJ-JFIYKMOQSA-N	1	0	371.481	1.439	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ncc(Cl)s2)C[C@H]1C	ZINC001106421018	875209599	/nfs/dbraw/zinc/20/95/99/875209599.db2.gz	UTJDYZLKYSSZSF-IJLUTSLNSA-N	1	0	368.890	1.232	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cncc(CC)c2)C[C@H]1C	ZINC001106432216	875267012	/nfs/dbraw/zinc/26/70/12/875267012.db2.gz	QJAUVZPYYUEKMN-IIDMSEBBSA-N	1	0	358.486	1.632	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2CCC3(CC3)CC2)C[C@H]1C	ZINC001106441307	875311930	/nfs/dbraw/zinc/31/19/30/875311930.db2.gz	XXZNKACNXQIIMB-SOLBZPMBSA-N	1	0	359.514	1.779	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC2(C)CC2)C[C@H]1C	ZINC001106447038	875344438	/nfs/dbraw/zinc/34/44/38/875344438.db2.gz	HPJAPFNRLPAVPJ-RBSFLKMASA-N	1	0	364.490	1.261	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2nccc3occc32)C[C@H]1C	ZINC001106460986	875447198	/nfs/dbraw/zinc/44/71/98/875447198.db2.gz	DTHWLBKOJGKLSA-QLFBSQMISA-N	1	0	370.453	1.816	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cnnn3)cn2)C[C@H]1C	ZINC001106468175	875531286	/nfs/dbraw/zinc/53/12/86/875531286.db2.gz	CWJGYSQGLBGGPW-OWCLPIDISA-N	1	0	369.473	1.710	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2c[nH]nc2[C@H]2CCOC2)C[C@H]1C	ZINC001106481243	875617706	/nfs/dbraw/zinc/61/77/06/875617706.db2.gz	OQAPJBLFDPWGTN-OWCLPIDISA-N	1	0	362.474	1.414	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](OCC)C2CCOCC2)C[C@H]1C	ZINC001106486304	875640950	/nfs/dbraw/zinc/64/09/50/875640950.db2.gz	OBIUCZOCBFVCLW-QRQLOZEOSA-N	1	0	368.518	1.705	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(C)C)[C@H](C)C1	ZINC001106486549	875642612	/nfs/dbraw/zinc/64/26/12/875642612.db2.gz	XKWYZGFOJHEVEH-HLIPFELVSA-N	1	0	367.534	1.672	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O)C1CC[NH+](C)CC1	ZINC000915170370	875661396	/nfs/dbraw/zinc/66/13/96/875661396.db2.gz	AMAVGNDFGUHCLV-IBGZPJMESA-N	1	0	368.481	1.527	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2csnn2)C[C@H]1C	ZINC001106491651	875687003	/nfs/dbraw/zinc/68/70/03/875687003.db2.gz	QNZIKOGEJGIMMS-ZIAGYGMSSA-N	1	0	365.503	1.260	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C(C)C)on2)C[C@H]1C	ZINC001106492230	875693962	/nfs/dbraw/zinc/69/39/62/875693962.db2.gz	KLBXZLHTQPIFPH-QLFBSQMISA-N	1	0	360.458	1.234	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2OCCc3ccccc32)C[C@H]1C	ZINC001106508926	875767864	/nfs/dbraw/zinc/76/78/64/875767864.db2.gz	DPNIOHJLXWZAHU-WRWLIDTKSA-N	1	0	371.481	1.287	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N[C@H](C)C3CC3)[C@H](C)C2)cc1	ZINC001106512265	875799727	/nfs/dbraw/zinc/79/97/27/875799727.db2.gz	IJUKJUIYZWHSFP-JXXFODFXSA-N	1	0	367.493	1.880	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCCCC)[C@H](C)C2)cc1	ZINC001106512846	875801520	/nfs/dbraw/zinc/80/15/20/875801520.db2.gz	VAEBQXBXWYDVNQ-VQIMIIECSA-N	1	0	355.482	1.882	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COCC(F)(F)F)[C@H](C)C1	ZINC001106526956	875844968	/nfs/dbraw/zinc/84/49/68/875844968.db2.gz	BRTPRLARGUVXSV-MGPQQGTHSA-N	1	0	366.424	1.823	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(C)CCC2)C[C@H]1C	ZINC001106530573	875862804	/nfs/dbraw/zinc/86/28/04/875862804.db2.gz	IIBSSFNJDKGPGV-QLFBSQMISA-N	1	0	364.490	1.261	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CCCn2ccccc2=O)C[C@H]1C	ZINC001106529320	875873866	/nfs/dbraw/zinc/87/38/66/875873866.db2.gz	RIUBIGDGGHLOAX-QZTJIDSGSA-N	1	0	361.486	1.515	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NCC)[C@H](C)C1	ZINC001106533967	875888185	/nfs/dbraw/zinc/88/81/85/875888185.db2.gz	UKXFHPVBALAHSG-HZPDHXFCSA-N	1	0	364.490	1.100	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NCC)[C@H](C)C1	ZINC001106557925	875949614	/nfs/dbraw/zinc/94/96/14/875949614.db2.gz	KVOUXDNIMARHCX-OWCLPIDISA-N	1	0	364.490	1.098	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cnccn2)[C@H](C)C1	ZINC001106567278	875975935	/nfs/dbraw/zinc/97/59/35/875975935.db2.gz	BXACASZFSHYFDD-OWCLPIDISA-N	1	0	359.474	1.702	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](C[NH2+]CCNC(=O)NC(C)C)[C@H](C)C1	ZINC001106567668	875977291	/nfs/dbraw/zinc/97/72/91/875977291.db2.gz	OYEDESGWTJXJRL-BRWVUGGUSA-N	1	0	352.523	1.980	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2occc2C(C)C)C[C@H]1C	ZINC001106575809	876007428	/nfs/dbraw/zinc/00/74/28/876007428.db2.gz	NRLXGFMGVOMMPP-OWCLPIDISA-N	1	0	359.470	1.839	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ncccc2F)C[C@H]1C	ZINC001106583143	876032369	/nfs/dbraw/zinc/03/23/69/876032369.db2.gz	MUCXUFARPVQHGX-RBSFLKMASA-N	1	0	362.449	1.138	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3cnc(C)n3C2)C[C@H]1C	ZINC001106591139	876060170	/nfs/dbraw/zinc/06/01/70/876060170.db2.gz	OYQPOBDFRCBLEH-BPQIPLTHSA-N	1	0	360.502	1.641	20	30		FDEDRO
C[C@@H](OC(=O)CSCC#N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000915386476	876216643	/nfs/dbraw/zinc/21/66/43/876216643.db2.gz	MEKRBCDCCKHXBO-ZBFHGGJFSA-N	1	0	361.467	1.566	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(F)(F)F)[C@H](C)C1	ZINC001106629657	876278991	/nfs/dbraw/zinc/27/89/91/876278991.db2.gz	ROSSJYBSXVNOQA-XJKCOSOUSA-N	1	0	363.424	1.951	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]CCN3CCCS3(=O)=O)[C@H](C)C2)C1	ZINC001106646801	876378487	/nfs/dbraw/zinc/37/84/87/876378487.db2.gz	ALMBRPCYKCPDJO-HZPDHXFCSA-N	1	0	369.531	1.062	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C(N)=O)co2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106658999	876447060	/nfs/dbraw/zinc/44/70/60/876447060.db2.gz	STWYNIMWSZIBRV-CRAIPNDOSA-N	1	0	365.433	1.728	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1C	ZINC001106673537	876504792	/nfs/dbraw/zinc/50/47/92/876504792.db2.gz	GVRJJUNDAHBXPA-MGPQQGTHSA-N	1	0	357.445	1.797	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCn2nc(C)cc2C)[C@H](C)C1	ZINC001106680598	876547508	/nfs/dbraw/zinc/54/75/08/876547508.db2.gz	YWLOWJAVKCZDIX-AXUOBQJMSA-N	1	0	360.502	1.775	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCc2cnn(CC)c2)[C@H](C)C1	ZINC001106680644	876547707	/nfs/dbraw/zinc/54/77/07/876547707.db2.gz	ASFACDIOJHTPQN-OWYHZJEWSA-N	1	0	360.502	1.721	20	30		FDEDRO
Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)c(Cl)c1	ZINC001106687169	876564358	/nfs/dbraw/zinc/56/43/58/876564358.db2.gz	NWXMERIDGRCHSU-ZIAGYGMSSA-N	1	0	362.861	1.586	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3ccco3)n[nH]2)C[C@H]1C	ZINC001106691932	876590144	/nfs/dbraw/zinc/59/01/44/876590144.db2.gz	VMKGJNNXULRBCP-HUUCEWRRSA-N	1	0	356.426	1.617	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)OC2CCCC2)C[C@H]1C	ZINC001106717935	876942268	/nfs/dbraw/zinc/94/22/68/876942268.db2.gz	SURFJNXWPYPJHL-JFIYKMOQSA-N	1	0	363.502	1.158	20	30		FDEDRO
C[C@@H]1CN(C(=O)COC[C@H]2CCOC2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001106724118	876981712	/nfs/dbraw/zinc/98/17/12/876981712.db2.gz	BTCDLNRQXXARMP-LSTHTHJFSA-N	1	0	371.481	1.795	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnc(C3CC3)nc2)C[C@H]1C	ZINC001106736768	877320716	/nfs/dbraw/zinc/32/07/16/877320716.db2.gz	VCFWVKVQNCDGEV-JKIFEVAISA-N	1	0	371.485	1.342	20	30		FDEDRO
N#Cc1ccc(Br)c(CNCCC[N@H+]2CCC[C@H]2C(N)=O)c1	ZINC000922286335	877328391	/nfs/dbraw/zinc/32/83/91/877328391.db2.gz	KCLDGWJDSPBZRW-HNNXBMFYSA-N	1	0	365.275	1.750	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)C[C@H]1C	ZINC001106738921	877341849	/nfs/dbraw/zinc/34/18/49/877341849.db2.gz	KVPLIYVQXCMDBA-ACOOPHAKSA-N	1	0	352.478	1.906	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC)[C@H](C)C2)cc1	ZINC001106740434	877405840	/nfs/dbraw/zinc/40/58/40/877405840.db2.gz	PKXQWUNWUWOYNN-NVXWUHKLSA-N	1	0	357.454	1.132	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCC3)[C@H](C)C2)cc1	ZINC001106742520	877422403	/nfs/dbraw/zinc/42/24/03/877422403.db2.gz	FRCQVYMJRSXTIO-SJLPKXTDSA-N	1	0	369.465	1.229	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]C[C@@H](OCC)C3CC3)[C@H](C)C2)nn1	ZINC001106743394	877426096	/nfs/dbraw/zinc/42/60/96/877426096.db2.gz	JJMKXGXXRKTTIM-QGPMSJSTSA-N	1	0	361.490	1.577	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2nnn(C)c2C(F)(F)F)C[C@H]1C	ZINC001106745106	877451373	/nfs/dbraw/zinc/45/13/73/877451373.db2.gz	RPQWBYDQPQQOSL-PSASIEDQSA-N	1	0	365.787	1.884	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]CCOCC(C)C)[C@H](C)C2)nn1	ZINC001106749877	877504899	/nfs/dbraw/zinc/50/48/99/877504899.db2.gz	JQFWMXLSAVCPEY-IAGOWNOFSA-N	1	0	363.506	1.825	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCc2ccnn2C)[C@H](C)C1	ZINC001106752599	877522616	/nfs/dbraw/zinc/52/26/16/877522616.db2.gz	ANKVCLVNWAKIBJ-FPAYPSAMSA-N	1	0	360.502	1.628	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCCCN2C(C)=O)C[C@H]1C	ZINC001106755811	877568798	/nfs/dbraw/zinc/56/87/98/877568798.db2.gz	BDFAHOVHPKQYLF-QRQLOZEOSA-N	1	0	365.518	1.664	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C	ZINC001106760930	877612624	/nfs/dbraw/zinc/61/26/24/877612624.db2.gz	ATVASMUJOLHTCQ-GDBMZVCRSA-N	1	0	351.491	1.694	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C(F)F)n(C)n3)[C@H]2C1	ZINC001083143654	912256758	/nfs/dbraw/zinc/25/67/58/912256758.db2.gz	UIQPBXJCHNSIOQ-LSDHHAIUSA-N	1	0	354.401	1.849	20	30		FDEDRO
Cc1cc([C@H](C)C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)c(C)o1	ZINC001106767760	877649528	/nfs/dbraw/zinc/64/95/28/877649528.db2.gz	RUTNVVXGJLRNSN-IVMMDQJWSA-N	1	0	360.458	1.324	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@]2(C)C1	ZINC000993375317	877690039	/nfs/dbraw/zinc/69/00/39/877690039.db2.gz	OZGBHVJOOCPKRF-PWIZWCRZSA-N	1	0	359.514	1.991	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3CN(C(=O)C[N@H+]4CC[C@H](C)C4)C[C@@]3(C)C2)C1	ZINC000993397961	877876908	/nfs/dbraw/zinc/87/69/08/877876908.db2.gz	ZFULQXHWSDRHNE-XPIZARPCSA-N	1	0	359.514	1.991	20	30		FDEDRO
CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)c1cccnc1	ZINC001106801768	878036027	/nfs/dbraw/zinc/03/60/27/878036027.db2.gz	BFIYEALKQVOVAV-SUMDDJOVSA-N	1	0	371.485	1.145	20	30		FDEDRO
N#Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc4c[nH+]cn4c2)C3)c[nH]1	ZINC001004107926	878050833	/nfs/dbraw/zinc/05/08/33/878050833.db2.gz	BTAKCMAXVZLCIU-NXHRZFHOSA-N	1	0	374.404	1.710	20	30		FDEDRO
COc1cc(C(C)=NNC(=S)NCCC[NH+](C)C)c(OC)cc1O	ZINC000763176536	878059675	/nfs/dbraw/zinc/05/96/75/878059675.db2.gz	RDGFGZNRMMOSLR-UHFFFAOYSA-N	1	0	354.476	1.549	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cncc(-n4ccnn4)c3)[C@H]2C1	ZINC001083153652	912318903	/nfs/dbraw/zinc/31/89/03/912318903.db2.gz	KMFMIMCLEHTQKS-ZWKOTPCHSA-N	1	0	368.441	1.154	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cn3nccc3nc2C)C[C@H]1C	ZINC001106816700	878247832	/nfs/dbraw/zinc/24/78/32/878247832.db2.gz	DRHREEHHBPGTIO-GDBMZVCRSA-N	1	0	357.458	1.538	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCO[C@@H]3C[N@H+](CC4CCOCC4)C[C@@H]32)cc1	ZINC001083160866	912339193	/nfs/dbraw/zinc/33/91/93/912339193.db2.gz	YKNVIYHIWHLGGT-VQTJNVASSA-N	1	0	354.450	1.620	20	30		FDEDRO
C#C[C@@H](CC)NC(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000922524269	878448627	/nfs/dbraw/zinc/44/86/27/878448627.db2.gz	CTAJWCRFNNNEOM-AWEZNQCLSA-N	1	0	352.479	1.687	20	30		FDEDRO
CSC1(CNC(=O)N2C[C@@H](C)N(CC#N)[C@@H](C)C2)CC[NH+](C)CC1	ZINC000922529970	878459416	/nfs/dbraw/zinc/45/94/16/878459416.db2.gz	ADHDODFBVABUTL-GASCZTMLSA-N	1	0	353.536	1.442	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1cnn2c1CN(CCCCOC)CC2	ZINC001128498789	878484815	/nfs/dbraw/zinc/48/48/15/878484815.db2.gz	HKBXLDSHSVSWJU-AEFFLSMTSA-N	1	0	362.474	1.333	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000671385518	878645300	/nfs/dbraw/zinc/64/53/00/878645300.db2.gz	QHQGMYATCZURGF-LJQANCHMSA-N	1	0	373.497	1.676	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC001032677462	912369112	/nfs/dbraw/zinc/36/91/12/912369112.db2.gz	FGFBJOCVDUAOAM-LSTDLKDCSA-N	1	0	354.454	1.462	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N[C@@H]1C[C@@H](OC(C)(C)C)C12CCOCC2	ZINC000922628953	878851100	/nfs/dbraw/zinc/85/11/00/878851100.db2.gz	HXOYKLWATYHEPA-IAGOWNOFSA-N	1	0	365.518	1.994	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnoc2C2CC2)C[C@H]1C	ZINC001106827626	879095565	/nfs/dbraw/zinc/09/55/65/879095565.db2.gz	IZYWYLKVCLFSIC-VNHYZAJKSA-N	1	0	360.458	1.540	20	30		FDEDRO
C=CCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1	ZINC000282368997	879194900	/nfs/dbraw/zinc/19/49/00/879194900.db2.gz	UIFKLRCNOHWRGQ-INIZCTEOSA-N	1	0	362.522	1.968	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2cnc(OC)nc2)C[C@H]1C	ZINC001106831769	879250743	/nfs/dbraw/zinc/25/07/43/879250743.db2.gz	PUVSNMTYUPEZRM-ZWNOBZJWSA-N	1	0	369.263	1.692	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCN2CCCc3ccccc32)CC1	ZINC000671946831	912459376	/nfs/dbraw/zinc/45/93/76/912459376.db2.gz	WGGUTUBHLRAOCT-UHFFFAOYSA-N	1	0	370.497	1.322	20	30		FDEDRO
C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C[C@@H](C)N1CC#N	ZINC000922878690	879574512	/nfs/dbraw/zinc/57/45/12/879574512.db2.gz	RTHHCSQMBDTVOF-FPAYPSAMSA-N	1	0	370.501	1.702	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)CC2(CCOCC2)C1	ZINC001089941077	912492745	/nfs/dbraw/zinc/49/27/45/912492745.db2.gz	DKBUPJGFKSJNBK-KSZLIROESA-N	1	0	366.502	1.337	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)C3CC=CC3)[C@H](C)C2)CC1	ZINC000993841891	879871597	/nfs/dbraw/zinc/87/15/97/879871597.db2.gz	AVAOZZNAFWVKIR-VQIMIIECSA-N	1	0	357.498	1.509	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2O)cc1	ZINC001083842320	879889967	/nfs/dbraw/zinc/88/99/67/879889967.db2.gz	HQBDFQLPONOTQE-UXHICEINSA-N	1	0	350.418	1.674	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)CC[C@@H]2C1	ZINC000946642510	880011871	/nfs/dbraw/zinc/01/18/71/880011871.db2.gz	MXBUOGCTNBQHDV-BARDWOONSA-N	1	0	362.392	1.689	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1	ZINC000993932681	880086257	/nfs/dbraw/zinc/08/62/57/880086257.db2.gz	RJFYIFHLIIHBNN-JQHSSLGASA-N	1	0	363.502	1.273	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)C1	ZINC000993910368	880119759	/nfs/dbraw/zinc/11/97/59/880119759.db2.gz	YROKMWBFDOIBKD-RBSFLKMASA-N	1	0	357.458	1.052	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4cnc(C)n4C3)[C@H]2C1	ZINC001083178067	912556735	/nfs/dbraw/zinc/55/67/35/912556735.db2.gz	ZUMYSYQRBQGFKR-NZSAHSFTSA-N	1	0	358.486	1.632	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)[C@@H]3CC34CCC4)[C@H](C)C2)CC1	ZINC000994023045	880435898	/nfs/dbraw/zinc/43/58/98/880435898.db2.gz	WEBBMJUYJISQDU-QRQLOZEOSA-N	1	0	371.525	1.733	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)CC[N@@H+]1C	ZINC000994093814	880648319	/nfs/dbraw/zinc/64/83/19/880648319.db2.gz	YRZCMQCXUPSMGH-RRCSTGOVSA-N	1	0	357.458	1.051	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)C[C@H]2C)CC1	ZINC000994137886	880900510	/nfs/dbraw/zinc/90/05/10/880900510.db2.gz	XKPHDNQVRBBOAV-XLSIIYIISA-N	1	0	371.525	1.588	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C	ZINC001106844288	880917610	/nfs/dbraw/zinc/91/76/10/880917610.db2.gz	WASSGUCOGWSKBS-IXDOHACOSA-N	1	0	356.532	1.852	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1	ZINC000265712634	912635483	/nfs/dbraw/zinc/63/54/83/912635483.db2.gz	CWZYZRRPNZJPDT-MOPGFXCFSA-N	1	0	371.485	1.127	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1	ZINC001106858292	881137447	/nfs/dbraw/zinc/13/74/47/881137447.db2.gz	FFMSBXBSLUJGEZ-HUUCEWRRSA-N	1	0	360.458	1.032	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)NCCNc1ncccc1C#N)c1ccccc1	ZINC000915888285	881217377	/nfs/dbraw/zinc/21/73/77/881217377.db2.gz	IINVIESGMCJZKL-QGZVFWFLSA-N	1	0	352.442	1.967	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@]2(C)C=CCC2)C3)CC1	ZINC000999401152	912677500	/nfs/dbraw/zinc/67/75/00/912677500.db2.gz	JQFVWKKQJPHBCE-MDPIYQRISA-N	1	0	369.509	1.936	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2C(=O)N(C)C)C[C@H]1C	ZINC001106888730	883422310	/nfs/dbraw/zinc/42/23/10/883422310.db2.gz	WMISBACXTWTQKH-IAGOWNOFSA-N	1	0	371.481	1.336	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)CC1	ZINC000917553502	883543639	/nfs/dbraw/zinc/54/36/39/883543639.db2.gz	PADATKFQPUBGAM-UHFFFAOYSA-N	1	0	355.435	1.211	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ccc2C)C[C@@H]1n1ccnn1	ZINC001128812297	883701721	/nfs/dbraw/zinc/70/17/21/883701721.db2.gz	UTKZFUNSIBOTQQ-MOPGFXCFSA-N	1	0	369.469	1.639	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@H+](CCc2cccs2)C[C@@H]1n1ccnn1	ZINC001128812067	883702101	/nfs/dbraw/zinc/70/21/01/883702101.db2.gz	OYTFDECEZYBOIK-CVEARBPZSA-N	1	0	361.471	1.126	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@@H]1n1ccnn1	ZINC001128812076	883702710	/nfs/dbraw/zinc/70/27/10/883702710.db2.gz	PCYSXLFHMQAOKW-MSOLQXFVSA-N	1	0	359.474	1.713	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](OC)C2CCCC2)C[C@@H]1n1ccnn1	ZINC001128820904	883719394	/nfs/dbraw/zinc/71/93/94/883719394.db2.gz	IXUQLIYJYBEEGB-SQNIBIBYSA-N	1	0	361.490	1.791	20	30		FDEDRO
CCc1ccccc1C[N@@H+]1C[C@@H](NC(=O)[C@H](C)C#N)[C@@H](n2ccnn2)C1	ZINC001128830167	883756171	/nfs/dbraw/zinc/75/61/71/883756171.db2.gz	NOCCYSMYEWXXER-OLMNPRSZSA-N	1	0	352.442	1.542	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCS[C@H](C(F)(F)F)C2)CC1	ZINC000930007495	884045646	/nfs/dbraw/zinc/04/56/46/884045646.db2.gz	SHWZWBYCKSNEOS-LBPRGKRZSA-N	1	0	365.421	1.259	20	30		FDEDRO
C[C@H](CNc1ccc(C#N)nn1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1	ZINC001108124064	884088016	/nfs/dbraw/zinc/08/80/16/884088016.db2.gz	YMDHBFMZLKAZEN-OLMNPRSZSA-N	1	0	364.453	1.610	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccnn2CC)[C@@H](n2ccnn2)C1	ZINC001128919587	884118822	/nfs/dbraw/zinc/11/88/22/884118822.db2.gz	JSZVBFZVFFEUGU-UXLLHSPISA-N	1	0	357.462	1.505	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)C2=CCCCCC2)[C@@H](n2ccnn2)C1	ZINC001128934873	884154706	/nfs/dbraw/zinc/15/47/06/884154706.db2.gz	AUQPZGFYEVELEI-MSOLQXFVSA-N	1	0	359.474	1.713	20	30		FDEDRO
CN(C)c1ccc(C(N)=[NH+]OCC(=O)Nc2ccc3c(c2)OCCO3)cc1	ZINC000918185594	884203850	/nfs/dbraw/zinc/20/38/50/884203850.db2.gz	RNDWDDAVCBECIZ-UHFFFAOYSA-N	1	0	370.409	1.799	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(c3cc(CC)ncn3)C2)CC1	ZINC000918329707	884314332	/nfs/dbraw/zinc/31/43/32/884314332.db2.gz	XPLRCGFIPAGLHK-GOSISDBHSA-N	1	0	370.501	1.405	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCCc2nc(C)no2)C1	ZINC001034405078	884322375	/nfs/dbraw/zinc/32/23/75/884322375.db2.gz	XXLDSQVQWDVBQX-ZACQAIPSSA-N	1	0	362.474	1.872	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001128961366	884484419	/nfs/dbraw/zinc/48/44/19/884484419.db2.gz	FFGAQNIIIWOBNV-ZIFCJYIRSA-N	1	0	355.442	1.147	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1C[N@H+](CCCc2ccsc2)C[C@@H]1n1ccnn1	ZINC001128976283	884544863	/nfs/dbraw/zinc/54/48/63/884544863.db2.gz	NQRDUCPAUAVMRK-MSOLQXFVSA-N	1	0	371.510	1.973	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC/C=C\CCC)C[C@@H]1n1ccnn1	ZINC001128979848	884565708	/nfs/dbraw/zinc/56/57/08/884565708.db2.gz	CBYIJAPZOFKUTJ-NGQZUZBJSA-N	1	0	359.474	1.404	20	30		FDEDRO
C=CCN1CC[C@H](N2C[C@@H](NC(=O)CC(C)(C)C3CC3)[C@H](OC)C2)C1=O	ZINC001212234138	884586722	/nfs/dbraw/zinc/58/67/22/884586722.db2.gz	ODICMQMBSGXWBW-IXDOHACOSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@@H](C)COC)C2)nn1	ZINC001112543003	884587295	/nfs/dbraw/zinc/58/72/95/884587295.db2.gz	DMCAXGUATCUPDC-BXWFABGCSA-N	1	0	361.490	1.721	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CCCN(C(=O)CC[NH+](C)C)CC1	ZINC001078971617	884655106	/nfs/dbraw/zinc/65/51/06/884655106.db2.gz	CHFIJVPZEHGMEJ-LNLFQRSKSA-N	1	0	365.518	1.759	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(C#N)cc3)CC2)O1	ZINC001034675991	884703441	/nfs/dbraw/zinc/70/34/41/884703441.db2.gz	UNWUQLGEJCVUOQ-HUYLIWGRSA-N	1	0	370.497	1.794	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1C[N@H+](CC2CC3(CCC3)C2)C[C@@H]1n1ccnn1	ZINC001128985887	884736501	/nfs/dbraw/zinc/73/65/01/884736501.db2.gz	WTZMQWSWGDNMSO-MSOLQXFVSA-N	1	0	353.470	1.613	20	30		FDEDRO
CCCNC(=O)CCCC(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1	ZINC001106891957	884819213	/nfs/dbraw/zinc/81/92/13/884819213.db2.gz	NZWPZEUKYJZWOS-IAGOWNOFSA-N	1	0	351.491	1.017	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](C)[NH+]2CCCCC2)c1	ZINC000918705026	884835313	/nfs/dbraw/zinc/83/53/13/884835313.db2.gz	QEEFPPLJLHDDQB-HNNXBMFYSA-N	1	0	365.499	1.755	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)CC1	ZINC001034741574	884937858	/nfs/dbraw/zinc/93/78/58/884937858.db2.gz	XWITXDHRCMALLD-VIQHNZTISA-N	1	0	370.515	1.029	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CC(=O)N2CCCC2)C1	ZINC000999523483	912882372	/nfs/dbraw/zinc/88/23/72/912882372.db2.gz	JNGLHTTUKHVANV-AKSNENBUSA-N	1	0	363.502	1.559	20	30		FDEDRO
Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1C#N	ZINC000918906294	885005806	/nfs/dbraw/zinc/00/58/06/885005806.db2.gz	MITJGYZVVOXESI-GOSISDBHSA-N	1	0	355.486	1.834	20	30		FDEDRO
C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1	ZINC000918947228	885071715	/nfs/dbraw/zinc/07/17/15/885071715.db2.gz	LRZRCAVWQMPUIE-HNNXBMFYSA-N	1	0	357.863	1.289	20	30		FDEDRO
C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C1	ZINC000918957450	885083070	/nfs/dbraw/zinc/08/30/70/885083070.db2.gz	VALDLUSJTDCODT-HNNXBMFYSA-N	1	0	357.863	1.289	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc(C)nc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129014481	885124592	/nfs/dbraw/zinc/12/45/92/885124592.db2.gz	KNENPGNFRQJSIQ-MSOLQXFVSA-N	1	0	354.458	1.911	20	30		FDEDRO
N#Cc1ccc(N2CCN(S(=O)(=O)C[C@@]34CC[N@H+](C3)CCC4)CC2)cc1	ZINC000919103531	885313801	/nfs/dbraw/zinc/31/38/01/885313801.db2.gz	JJKUQCMVPLZNAP-IBGZPJMESA-N	1	0	374.510	1.496	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCc3ccc(Cl)cc3)C[C@@H]2O)cn1	ZINC001083970881	912924582	/nfs/dbraw/zinc/92/45/82/912924582.db2.gz	MDQKUUFGFSFJET-MOPGFXCFSA-N	1	0	369.852	1.734	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)C[C@H](OCC)C(=C)C)[C@@H](n2ccnn2)C1	ZINC001129030414	885349870	/nfs/dbraw/zinc/34/98/70/885349870.db2.gz	ZSZFEIATZKRAIY-SQNIBIBYSA-N	1	0	361.490	1.957	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)C2(COC)CCCCC2)[C@@H](n2ccnn2)C1	ZINC001129032623	885366995	/nfs/dbraw/zinc/36/69/95/885366995.db2.gz	RDCPWOUZNXBNMS-SJORKVTESA-N	1	0	359.474	1.240	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc2n(n1)CCC2	ZINC001034941050	885394506	/nfs/dbraw/zinc/39/45/06/885394506.db2.gz	DTMDJWZXOVUEBC-QRVBRYPASA-N	1	0	358.486	1.891	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cn(C)nc2C)[C@@H](n2ccnn2)C1	ZINC001129048701	885534269	/nfs/dbraw/zinc/53/42/69/885534269.db2.gz	HFQKNRPHFKUXNS-QGTPRVQTSA-N	1	0	371.489	1.259	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCOC(C)C)C[C@@H]2n2ccnn2)CCC1	ZINC001129049183	885539111	/nfs/dbraw/zinc/53/91/11/885539111.db2.gz	QWSXANUVZXXOIE-SJORKVTESA-N	1	0	359.474	1.238	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCCN(c2ccc(C)nn2)C1)C1CC[NH+](C)CC1	ZINC000919383863	885678448	/nfs/dbraw/zinc/67/84/48/885678448.db2.gz	UEDWAVRBXQEFJB-QGZVFWFLSA-N	1	0	370.501	1.493	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCOC[C@H]3CCCO3)[C@H](C)C2)nc1	ZINC001106894127	885690391	/nfs/dbraw/zinc/69/03/91/885690391.db2.gz	BHUUFFXRMDQFBI-BHIYHBOVSA-N	1	0	371.481	1.556	20	30		FDEDRO
C#CC[N@@H+](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)OC)C1CCCC1	ZINC000154980160	885723477	/nfs/dbraw/zinc/72/34/77/885723477.db2.gz	AWTCKBREAFHLFZ-IBGZPJMESA-N	1	0	354.450	1.991	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1	ZINC001129128110	885824316	/nfs/dbraw/zinc/82/43/16/885824316.db2.gz	QACIDZQPYFHQHW-HLLBOEOZSA-N	1	0	353.442	1.208	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2[nH]nnc2C)[C@@H](n2ccnn2)C1	ZINC001129143324	885855868	/nfs/dbraw/zinc/85/58/68/885855868.db2.gz	ABBXVYROHPWYMW-CABCVRRESA-N	1	0	358.450	1.106	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)CC(C)(C)C1	ZINC001089518065	885930680	/nfs/dbraw/zinc/93/06/80/885930680.db2.gz	YERLKIYUUAYGEU-KZNAEPCWSA-N	1	0	358.486	1.528	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCC2CCOCC2)CCO1	ZINC001035508941	886089323	/nfs/dbraw/zinc/08/93/23/886089323.db2.gz	AZUBJHOSEKXNOT-KSZLIROESA-N	1	0	352.475	1.211	20	30		FDEDRO
C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1	ZINC001035546815	886151012	/nfs/dbraw/zinc/15/10/12/886151012.db2.gz	ITZAMIBHECKENH-KZNAEPCWSA-N	1	0	362.474	1.071	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C	ZINC000994641902	886327051	/nfs/dbraw/zinc/32/70/51/886327051.db2.gz	HBABFRGTPFAWRV-AHCXZYCDSA-N	1	0	363.502	1.273	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC2(C[NH+](Cc3ccc(C#N)cc3)C2)CC1	ZINC001035726088	886382152	/nfs/dbraw/zinc/38/21/52/886382152.db2.gz	LMBQTTNVEHOXMC-LPHOPBHVSA-N	1	0	369.465	1.787	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCn3nc(C)nc3C)[C@H](C)C2)nc1	ZINC001106898227	886389531	/nfs/dbraw/zinc/38/95/31/886389531.db2.gz	ZJGCTQANTOEXMX-RDTXWAMCSA-N	1	0	366.469	1.269	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(C[NH+](CCN3CCCC3=O)C2)CC1	ZINC001035800115	886481758	/nfs/dbraw/zinc/48/17/58/886481758.db2.gz	UTHMUAFNFIOWAM-SJORKVTESA-N	1	0	361.486	1.124	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1n1ccnn1	ZINC001129210715	886570037	/nfs/dbraw/zinc/57/00/37/886570037.db2.gz	UWLCTQYTUQRIKU-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](n2cc(C[NH2+]CC3CC3)nn2)C1	ZINC001089584289	886608370	/nfs/dbraw/zinc/60/83/70/886608370.db2.gz	NCLBVQMMTYSQCL-KURKYZTESA-N	1	0	359.474	1.532	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001060740782	886664418	/nfs/dbraw/zinc/66/44/18/886664418.db2.gz	UVOVAVOVGCZLPL-RXFYRGCNSA-N	1	0	365.518	1.445	20	30		FDEDRO
C[C@H](C#N)C(=O)NCc1cccc2c1CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2	ZINC001061947617	886772678	/nfs/dbraw/zinc/77/26/78/886772678.db2.gz	USICLACBKOYPFS-IIDMSEBBSA-N	1	0	368.481	1.687	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(CC[N@@H+](C)[C@H]2CCNC2=O)CC1	ZINC001036604227	886905839	/nfs/dbraw/zinc/90/58/39/886905839.db2.gz	AVRQBFDDNXNIJR-BZSNNMDCSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCC1(NC(=O)N[C@H]2CC[N@@H+](CCCOCC)C[C@H]2C)CCOCC1	ZINC000888293917	886988870	/nfs/dbraw/zinc/98/88/70/886988870.db2.gz	KNZQGWKGCRXNDE-MSOLQXFVSA-N	1	0	365.518	1.995	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC(CN(C)c3ncccc3C#N)CC2)CC[N@@H+]1C	ZINC001062234994	886992099	/nfs/dbraw/zinc/99/20/99/886992099.db2.gz	YUMJOLMXGVEACT-CRAIPNDOSA-N	1	0	355.486	1.968	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)C[N@@H+](C)CCC	ZINC001062240519	886998590	/nfs/dbraw/zinc/99/85/90/886998590.db2.gz	ZPUWQPVNMMUAHN-KURKYZTESA-N	1	0	365.518	1.807	20	30		FDEDRO
C=CCOCCCC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001062241390	887003227	/nfs/dbraw/zinc/00/32/27/887003227.db2.gz	NKWPRBMNBVAVNV-KZNAEPCWSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C(Cl)CN1CC(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1	ZINC001031679002	887343527	/nfs/dbraw/zinc/34/35/27/887343527.db2.gz	BNAFWOVUUQGXIS-SJORKVTESA-N	1	0	355.910	1.534	20	30		FDEDRO
COc1ccc(CN2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C#N	ZINC001031681356	887379513	/nfs/dbraw/zinc/37/95/13/887379513.db2.gz	NZXAWKBFMZJAKM-RDTXWAMCSA-N	1	0	356.470	1.455	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H](C)c2ncc(C(=O)OC)s2)CC1	ZINC000922964972	887616782	/nfs/dbraw/zinc/61/67/82/887616782.db2.gz	MLGQNVATHUKVFJ-LLVKDONJSA-N	1	0	350.444	1.388	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[N@@H+]1C	ZINC000923090739	888001912	/nfs/dbraw/zinc/00/19/12/888001912.db2.gz	DWPRIAPSMBNYDI-BEFAXECRSA-N	1	0	355.486	1.914	20	30		FDEDRO
CC1(CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC[NH2+]CC1	ZINC000415429693	888030507	/nfs/dbraw/zinc/03/05/07/888030507.db2.gz	BJHDDYISLWFCQR-UHFFFAOYSA-N	1	0	356.405	2.394	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1)C1CC[NH+](C)CC1	ZINC000921493628	888038665	/nfs/dbraw/zinc/03/86/65/888038665.db2.gz	SHWVKQYBLOIRPN-RTBURBONSA-N	1	0	362.518	1.369	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(CCC)cc2)C[C@H]1OC	ZINC001212262416	888163261	/nfs/dbraw/zinc/16/32/61/888163261.db2.gz	NXZJQLVUKHOXCA-WOJBJXKFSA-N	1	0	358.482	1.994	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1OC	ZINC001212264750	888262017	/nfs/dbraw/zinc/26/20/17/888262017.db2.gz	QUUBECNNYLIXRJ-GDIGMMSISA-N	1	0	355.438	1.522	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CCCC[N@H+]2C)c1	ZINC001005975806	888304553	/nfs/dbraw/zinc/30/45/53/888304553.db2.gz	VRCUZMLHTQVSGF-YRXWBPOGSA-N	1	0	366.465	1.409	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ocnc1CC)C2	ZINC001005970502	888321870	/nfs/dbraw/zinc/32/18/70/888321870.db2.gz	SBRXCJZFNDYANK-SIXLDLHFSA-N	1	0	370.453	1.196	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](CC)OC)C[C@H]1OC	ZINC001212267871	888508457	/nfs/dbraw/zinc/50/84/57/888508457.db2.gz	GCUBWEKGVDJOLZ-RCCFBDPRSA-N	1	0	356.507	1.990	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1	ZINC000938466583	888683084	/nfs/dbraw/zinc/68/30/84/888683084.db2.gz	BYBPIGXNFNEDER-XSLAGTTESA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)CN2CC[NH2+]C[C@@H]2C(F)F)c(OC)c1	ZINC000923351700	888986552	/nfs/dbraw/zinc/98/65/52/888986552.db2.gz	AHZGWQNDZIIKAV-HUUCEWRRSA-N	1	0	356.413	1.702	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000938714723	889138805	/nfs/dbraw/zinc/13/88/05/889138805.db2.gz	APHYQRAIKXWYLY-BRWVUGGUSA-N	1	0	358.486	1.687	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cnc(CC(C)C)[nH]2)[C@H](OC)C1	ZINC001212277304	889154928	/nfs/dbraw/zinc/15/49/28/889154928.db2.gz	LGKQGFBOGOOVDK-HZPDHXFCSA-N	1	0	350.463	1.240	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](OCC[NH+](CC)CC)C2)C1	ZINC000658659731	889196558	/nfs/dbraw/zinc/19/65/58/889196558.db2.gz	KDYFOQOCUKNEIO-MSOLQXFVSA-N	1	0	365.518	1.760	20	30		FDEDRO
N#Cc1ccc(NCC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)nc1	ZINC000509397346	889230422	/nfs/dbraw/zinc/23/04/22/889230422.db2.gz	RQUDCRUJSPIGMO-UHFFFAOYSA-N	1	0	371.485	1.716	20	30		FDEDRO
C[C@]1(O)CCC[N@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000245875817	889299801	/nfs/dbraw/zinc/29/98/01/889299801.db2.gz	KBTQBGZTDKBTIM-QUCCMNQESA-N	1	0	374.460	1.381	20	30		FDEDRO
CC[NH+](CC)CCOC1CCN(CC(=O)NCc2cccc(C#N)c2)CC1	ZINC000466728569	889345487	/nfs/dbraw/zinc/34/54/87/889345487.db2.gz	ONVOOCFLDCWRCT-UHFFFAOYSA-N	1	0	372.513	1.997	20	30		FDEDRO
Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)CNc3ccc(C#N)cn3)C1)CCCC2	ZINC000330246630	889396758	/nfs/dbraw/zinc/39/67/58/889396758.db2.gz	FGTJIZYMRLTIDI-MRXNPFEDSA-N	1	0	364.453	2.223	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1	ZINC000938861682	889436636	/nfs/dbraw/zinc/43/66/36/889436636.db2.gz	YZRFEFQTSBAMIA-XHSDSOJGSA-N	1	0	361.442	1.263	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1	ZINC000938864973	889448941	/nfs/dbraw/zinc/44/89/41/889448941.db2.gz	DONGZEALWXTWLY-QGTPRVQTSA-N	1	0	368.437	1.565	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1	ZINC000373241307	889594343	/nfs/dbraw/zinc/59/43/43/889594343.db2.gz	FGFINCSOAXUHGM-CQSZACIVSA-N	1	0	353.426	2.427	20	30		FDEDRO
C[C@@H]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C[C@H]1C[NH3+]	ZINC000415433613	889621803	/nfs/dbraw/zinc/62/18/03/889621803.db2.gz	GYNJOMPRUGIWKG-CHWSQXEVSA-N	1	0	356.405	2.332	20	30		FDEDRO
C=CCNC(=O)CN1C[C@@H](NC(=O)C[C@@H]2C[C@H]2c2ccccc2)[C@H](OC)C1	ZINC001212289474	889747888	/nfs/dbraw/zinc/74/78/88/889747888.db2.gz	HVSQLXSQVYLOHY-INDMIFKZSA-N	1	0	371.481	1.298	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)c2[nH]c3ccccc3c2CC(=O)OC)C1	ZINC000923561762	889833071	/nfs/dbraw/zinc/83/30/71/889833071.db2.gz	LIGTVORNYJNVQP-AWEZNQCLSA-N	1	0	353.422	1.711	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](Nc3cc(-n4cccn4)nc(N)[nH+]3)C2=O)cc1	ZINC000503258696	889969749	/nfs/dbraw/zinc/96/97/49/889969749.db2.gz	WIHVPULPHTUTCL-HNNXBMFYSA-N	1	0	374.408	1.724	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC001006173534	890020835	/nfs/dbraw/zinc/02/08/35/890020835.db2.gz	BJFHGHKCFXTWSJ-OAUYIBNBSA-N	1	0	357.458	1.193	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)[C@H](OC)C1	ZINC001212309563	890031541	/nfs/dbraw/zinc/03/15/41/890031541.db2.gz	WVTDLMWELCJWNL-BRWVUGGUSA-N	1	0	365.518	1.805	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)NC(=O)C2CCCC2)[C@H](OC)C1	ZINC001212319061	890084801	/nfs/dbraw/zinc/08/48/01/890084801.db2.gz	XETWXLGMVGZMTR-DJIMGWMZSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1OC	ZINC001212321131	890110552	/nfs/dbraw/zinc/11/05/52/890110552.db2.gz	SLTGYJWAKOJFTD-BRWVUGGUSA-N	1	0	359.474	1.349	20	30		FDEDRO
CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCN(c2nc(C)cc(C#N)n2)C1	ZINC001063146147	890242416	/nfs/dbraw/zinc/24/24/16/890242416.db2.gz	NIIPYWNPMHTAAA-HYVNUMGLSA-N	1	0	356.474	1.424	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)C1	ZINC000939244553	890271937	/nfs/dbraw/zinc/27/19/37/890271937.db2.gz	AJOUHRPCWKLVLA-UWWQBHOKSA-N	1	0	371.485	1.585	20	30		FDEDRO
C#Cc1ccccc1CC(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1	ZINC001063221893	890325975	/nfs/dbraw/zinc/32/59/75/890325975.db2.gz	NSKAPRDTVUFLII-VQIMIIECSA-N	1	0	367.493	1.706	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(NC(=O)C[N@H+]2CCC[C@H]2C)CCC1	ZINC001063214930	890340468	/nfs/dbraw/zinc/34/04/68/890340468.db2.gz	XUWQRWGWMCTLLI-ZACQAIPSSA-N	1	0	363.502	1.607	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC001006177949	890471823	/nfs/dbraw/zinc/47/18/23/890471823.db2.gz	YSBKLUFIRGCADB-YLQAJVPDSA-N	1	0	357.458	1.193	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1(CNC(=O)[C@H](C2CC2)[NH+](C)C)CCC1	ZINC001063364754	890487064	/nfs/dbraw/zinc/48/70/64/890487064.db2.gz	FOVQXXGOBQWDAT-IKGGRYGDSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=CCn1cccc1C(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1	ZINC001063399466	890500450	/nfs/dbraw/zinc/50/04/50/890500450.db2.gz	LWEGEIJYHRVZPE-HZPDHXFCSA-N	1	0	358.486	1.783	20	30		FDEDRO
C=CCCOCC(=O)NCC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCC1	ZINC001063425391	890536418	/nfs/dbraw/zinc/53/64/18/890536418.db2.gz	GBKDXAJUILZIPV-JKSUJKDBSA-N	1	0	351.491	1.465	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[NH+]3CCC(C)CC3)C2)c1	ZINC000939489966	890741099	/nfs/dbraw/zinc/74/10/99/890741099.db2.gz	CVGHDUKDBYUFAW-VQIMIIECSA-N	1	0	368.481	1.372	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)c1	ZINC001001840901	891410049	/nfs/dbraw/zinc/41/00/49/891410049.db2.gz	ZPAFOFKANWKPEW-MOPGFXCFSA-N	1	0	368.481	1.788	20	30		FDEDRO
CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C#N)c[nH]1)C2)[NH+](C)C	ZINC001001884851	891560133	/nfs/dbraw/zinc/56/01/33/891560133.db2.gz	XIUJLEFWJJCAJD-TXCZRRACSA-N	1	0	357.458	1.334	20	30		FDEDRO
CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N	ZINC000181867394	891612688	/nfs/dbraw/zinc/61/26/88/891612688.db2.gz	VAXCMEGREBHDMF-HOCLYGCPSA-N	1	0	358.442	1.715	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C#N)c[nH]1)C2	ZINC001001906027	891640581	/nfs/dbraw/zinc/64/05/81/891640581.db2.gz	XRPVBJUTUPBJHD-XYVMCAHJSA-N	1	0	369.469	1.622	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CC[NH+](CC(=O)N(C)C)CC1	ZINC001001933221	891683658	/nfs/dbraw/zinc/68/36/58/891683658.db2.gz	FXGHECIAQXYFQD-WMZOPIPTSA-N	1	0	351.491	1.274	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CCCC4=O)[C@@H]3C2)cc1	ZINC001084180297	913595987	/nfs/dbraw/zinc/59/59/87/913595987.db2.gz	XJWKZNWKPOJDSM-QZTJIDSGSA-N	1	0	352.438	1.213	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCC)C1	ZINC001112541227	891912332	/nfs/dbraw/zinc/91/23/32/891912332.db2.gz	MOUZDZLIKSBHFK-BJLQDIEVSA-N	1	0	365.518	1.712	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[NH+]3CCC2CC3)[nH]1	ZINC001002090234	891913145	/nfs/dbraw/zinc/91/31/45/891913145.db2.gz	KUKKBDYQWYYYAO-ATLSCFEFSA-N	1	0	367.453	1.090	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CCC[NH+]2CCC3)c[nH]1	ZINC001002136685	891975565	/nfs/dbraw/zinc/97/55/65/891975565.db2.gz	ZOJOXMCODYUAPY-ZACQAIPSSA-N	1	0	367.453	1.376	20	30		FDEDRO
C[C@@H](CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(C#N)c1)C2)n1ccnc1	ZINC001002143593	891984118	/nfs/dbraw/zinc/98/41/18/891984118.db2.gz	URQVNTCOZIJORD-DXEWXGHRSA-N	1	0	366.425	1.596	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CN(C(=O)C[N@@H+](C)C2CCC2)C1	ZINC001002150395	891994267	/nfs/dbraw/zinc/99/42/67/891994267.db2.gz	MEKSHOQTJQJFAL-HKUYNNGSSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1	ZINC001002195667	892206487	/nfs/dbraw/zinc/20/64/87/892206487.db2.gz	OAJKRWBLRMMVLB-BZSNNMDCSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)c2ccc3c[nH+]cn3c2)C1	ZINC001002200733	892221749	/nfs/dbraw/zinc/22/17/49/892221749.db2.gz	KJGAYKSIVDWRRW-ROUUACIJSA-N	1	0	368.437	1.504	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1	ZINC000940302010	892232014	/nfs/dbraw/zinc/23/20/14/892232014.db2.gz	WWKJWBIXZKVRKS-KKVAFCGZSA-N	1	0	363.477	1.575	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C1	ZINC001002232201	892284446	/nfs/dbraw/zinc/28/44/46/892284446.db2.gz	BHENAOLBGIXWKG-SJORKVTESA-N	1	0	363.502	1.274	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cn(C(C)C)nn2)CC1	ZINC000940340103	892293085	/nfs/dbraw/zinc/29/30/85/892293085.db2.gz	PCEATNYKPMWPKQ-SJORKVTESA-N	1	0	361.490	1.921	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC(CNC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)CC1	ZINC001002264286	892363925	/nfs/dbraw/zinc/36/39/25/892363925.db2.gz	TVOWOLDVHBLMND-IMFGXOCKSA-N	1	0	369.509	1.509	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2occ3c2CCCC3)C[C@H]1C	ZINC001106919791	892469890	/nfs/dbraw/zinc/46/98/90/892469890.db2.gz	CKBZXKHNLUJJKD-BFYDXBDKSA-N	1	0	371.481	1.594	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(CCOC)CCC2)C[C@H]1C	ZINC001106921042	892577348	/nfs/dbraw/zinc/57/73/48/892577348.db2.gz	TVNRKVOOQBOWOX-IXDOHACOSA-N	1	0	363.502	1.015	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3[nH]ccc3s2)C[C@H]1C	ZINC001106923160	892607637	/nfs/dbraw/zinc/60/76/37/892607637.db2.gz	GEFLXCKSUBDXET-CHWSQXEVSA-N	1	0	358.467	1.277	20	30		FDEDRO
COc1c(C(=O)N2C[C@@H](C[NH2+]CC#Cc3ccccc3)[C@H](C)C2)cnn1C	ZINC001106926185	892774550	/nfs/dbraw/zinc/77/45/50/892774550.db2.gz	RLXLHBLIPJFXNC-SJLPKXTDSA-N	1	0	366.465	1.778	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+][C@H]3CCN(C)C3=O)[C@H](C)C2)CCOCC1	ZINC001106933591	893042107	/nfs/dbraw/zinc/04/21/07/893042107.db2.gz	ZMCVNNCBGLRCKG-ZACQAIPSSA-N	1	0	363.502	1.274	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCC(=O)N2C)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106933595	893042609	/nfs/dbraw/zinc/04/26/09/893042609.db2.gz	ZPOVCAMHWQAPCQ-RLLQIKCJSA-N	1	0	367.493	1.733	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3CO2)C[C@H]1C	ZINC001106934951	893131532	/nfs/dbraw/zinc/13/15/32/893131532.db2.gz	AYCNQLSFCIEKIX-AHRSYUTCSA-N	1	0	356.466	1.462	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CCCc3c2cnn3C)CC1	ZINC000672355322	893174977	/nfs/dbraw/zinc/17/49/77/893174977.db2.gz	HZBUYRCURONIHI-MRXNPFEDSA-N	1	0	359.474	1.023	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC(c3cccnc3)CC2)CC1	ZINC000672357491	893199133	/nfs/dbraw/zinc/19/91/33/893199133.db2.gz	PUVXVAPKOMHTOM-UHFFFAOYSA-N	1	0	370.497	1.944	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C(C)(C)C1	ZINC000940811564	893277900	/nfs/dbraw/zinc/27/79/00/893277900.db2.gz	NEFQFLYSYBSDAQ-SQNIBIBYSA-N	1	0	358.486	1.738	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C(C)(C)C1	ZINC000940912216	893458365	/nfs/dbraw/zinc/45/83/65/893458365.db2.gz	NIUUTJWKPNVXJZ-FGTMMUONSA-N	1	0	365.518	1.269	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CCC3)C2)CC1	ZINC000940962643	893535926	/nfs/dbraw/zinc/53/59/26/893535926.db2.gz	RZELBIPGRIRTNX-CEXWTWQISA-N	1	0	357.498	1.485	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@]2(C)CCNC(=O)C2)[C@H](OC)C1	ZINC001212454785	893549388	/nfs/dbraw/zinc/54/93/88/893549388.db2.gz	DIWLAIZHGLPEPU-GPMSIDNRSA-N	1	0	353.507	1.689	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(CC#Cc3ccc(F)cc3)C[C@H]21	ZINC001084231973	913782302	/nfs/dbraw/zinc/78/23/02/913782302.db2.gz	QLGJBOCZZUXSIQ-MISYRCLQSA-N	1	0	355.457	1.804	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)COCc2ccnn2C)[C@H](OC)C1	ZINC001212455892	893597924	/nfs/dbraw/zinc/59/79/24/893597924.db2.gz	YLDDRCZDZSAMOC-DJIMGWMZSA-N	1	0	350.463	1.107	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2	ZINC001002789909	893931736	/nfs/dbraw/zinc/93/17/36/893931736.db2.gz	IGPOFXOCWNMEMM-NMLBUPMWSA-N	1	0	365.477	1.410	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[N@@H+](C[C@H](O)Cc4ccccc4)C[C@H]32)c1	ZINC001084261616	913867682	/nfs/dbraw/zinc/86/76/82/913867682.db2.gz	PSJUZDVJJWWUTD-QWFCFKBJSA-N	1	0	364.449	1.636	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C(=O)OC)ccc1C	ZINC000922023345	894423933	/nfs/dbraw/zinc/42/39/33/894423933.db2.gz	GYMTZOBXVHZNIM-UHFFFAOYSA-N	1	0	364.467	1.500	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C	ZINC000922025800	894536258	/nfs/dbraw/zinc/53/62/58/894536258.db2.gz	NRROHRGTOZYJEB-AWEZNQCLSA-N	1	0	350.488	1.499	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C(F)(F)F)nn1C	ZINC000922026609	894545594	/nfs/dbraw/zinc/54/55/94/894545594.db2.gz	UWOSADGENGBZDG-UHFFFAOYSA-N	1	0	364.393	1.157	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+]([C@@H]2CCN(C(C)C)C2=O)CC1	ZINC001002845923	894579731	/nfs/dbraw/zinc/57/97/31/894579731.db2.gz	AEGRPVCTWBWMQK-KURKYZTESA-N	1	0	363.502	1.558	20	30		FDEDRO
C=C(C)CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)CC2)C1	ZINC000941499774	895161806	/nfs/dbraw/zinc/16/18/06/895161806.db2.gz	CLNNCSMZXPUTDT-QZTJIDSGSA-N	1	0	357.502	1.318	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H](OC)C1	ZINC000941853042	895906434	/nfs/dbraw/zinc/90/64/34/895906434.db2.gz	WSPHDYQQQGLBFD-BFHYXJOUSA-N	1	0	357.882	1.059	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](OC)C1	ZINC000941915528	895983731	/nfs/dbraw/zinc/98/37/31/895983731.db2.gz	FIHMOCHAGNZHMM-GVDBMIGSSA-N	1	0	363.502	1.273	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCN2C(=O)CNC2=O)C[C@H]1C	ZINC001106966634	896413617	/nfs/dbraw/zinc/41/36/17/896413617.db2.gz	BUCNIWQFHSDXSP-OWCLPIDISA-N	1	0	364.490	1.357	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1	ZINC000942146008	896485036	/nfs/dbraw/zinc/48/50/36/896485036.db2.gz	YDDRHUZXNSTYJA-GVDBMIGSSA-N	1	0	365.518	1.804	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCc1cn([C@@H]2CC[N@@H+](CC(=C)C)C2)nn1	ZINC000999986760	896518983	/nfs/dbraw/zinc/51/89/83/896518983.db2.gz	KHLXAVLTYCCDHI-KURKYZTESA-N	1	0	359.474	1.698	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3ccsc3)nn2)C1	ZINC000999996174	896540857	/nfs/dbraw/zinc/54/08/57/896540857.db2.gz	IIOWIOIRZCLCQB-IXDOHACOSA-N	1	0	355.467	1.640	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC000671100237	896565237	/nfs/dbraw/zinc/56/52/37/896565237.db2.gz	JULMFOORXOPBAR-ZWKOTPCHSA-N	1	0	371.481	1.953	20	30		FDEDRO
C=CCC[N@H+]1C[C@H](NC(=O)[C@H]2OCCO[C@H]2C)CC2(CCOCC2)C1	ZINC001089944859	896569589	/nfs/dbraw/zinc/56/95/89/896569589.db2.gz	HWCIQZKTUBGADC-BBWFWOEESA-N	1	0	352.475	1.354	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc3c(c2)CCC3)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106969283	896886087	/nfs/dbraw/zinc/88/60/87/896886087.db2.gz	UAUDOSXJRZCRER-RDTXWAMCSA-N	1	0	354.454	1.113	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(c3cccc(CNCC#N)n3)C2)CC[N@@H+]1C	ZINC001128107177	896962315	/nfs/dbraw/zinc/96/23/15/896962315.db2.gz	NBBWIRFKNBHDMI-FGTMMUONSA-N	1	0	370.501	1.120	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1	ZINC000942436883	897029468	/nfs/dbraw/zinc/02/94/68/897029468.db2.gz	KACFUNUNHFDQRD-RYRKJORJSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCC3)C[C@H]1C	ZINC001106972541	897237394	/nfs/dbraw/zinc/23/73/94/897237394.db2.gz	BYRUSBLKWGXPCH-OXQOHEQNSA-N	1	0	369.509	1.704	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@H]1C	ZINC001106979954	897388904	/nfs/dbraw/zinc/38/89/04/897388904.db2.gz	SQPAUBXXAMWPKZ-HUUCEWRRSA-N	1	0	362.474	1.530	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(Cc3c(C)cccc3Cl)C[C@H]2O)nc1	ZINC001078029966	897663623	/nfs/dbraw/zinc/66/36/23/897663623.db2.gz	AQFIJZVOQLXPGV-RTBURBONSA-N	1	0	369.852	2.000	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCCc3cccc(C)c3)C[C@H]2O)nc1	ZINC001078030286	897666704	/nfs/dbraw/zinc/66/67/04/897666704.db2.gz	RIRZNVUOCFRWNB-NHCUHLMSSA-N	1	0	363.461	1.779	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCc3ccccc3CC)C[C@H]2O)cn1	ZINC001078032305	897674252	/nfs/dbraw/zinc/67/42/52/897674252.db2.gz	HOKZWEJLHKSTIO-NHCUHLMSSA-N	1	0	363.461	1.643	20	30		FDEDRO
C=CCC[N@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC000995272285	897690894	/nfs/dbraw/zinc/69/08/94/897690894.db2.gz	KNZRNOSTHXOFSU-KSZLIROESA-N	1	0	356.470	1.430	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccn2C(C)C)C[C@H]1C	ZINC001106989323	897777808	/nfs/dbraw/zinc/77/78/08/897777808.db2.gz	ODUMSMQYURELRN-IXDOHACOSA-N	1	0	358.486	1.505	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CCN(C(=O)[C@]34C[C@H]3CCC4)C2)CC1	ZINC000942824590	897875452	/nfs/dbraw/zinc/87/54/52/897875452.db2.gz	JIMKWPWACJQNLG-WOIUINJBSA-N	1	0	371.525	1.971	20	30		FDEDRO
C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001000430520	897945917	/nfs/dbraw/zinc/94/59/17/897945917.db2.gz	GTMSRPCTWHFMOL-JENIJYKNSA-N	1	0	356.470	1.758	20	30		FDEDRO
CCN1C[C@@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)CC1=O	ZINC001084386555	914241766	/nfs/dbraw/zinc/24/17/66/914241766.db2.gz	HTYOKNIUGUGSPN-CEXWTWQISA-N	1	0	366.465	1.459	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cncs2)C1	ZINC001078484229	898835037	/nfs/dbraw/zinc/83/50/37/898835037.db2.gz	DIGQFNZAQMFRBA-PVAVHDDUSA-N	1	0	365.499	1.831	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCn2cccn2)C[C@H]1C	ZINC001107000127	898929290	/nfs/dbraw/zinc/92/92/90/898929290.db2.gz	GIFZJILVPZARQN-IXDOHACOSA-N	1	0	361.490	1.038	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)CCNC(=O)c2cnccn2)C[C@H]1C	ZINC001107001080	899044574	/nfs/dbraw/zinc/04/45/74/899044574.db2.gz	JITUWEDGSLHGKZ-HZPDHXFCSA-N	1	0	359.474	1.247	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccnn2CC(F)(F)F)[C@H](OC)C1	ZINC001212442450	899156706	/nfs/dbraw/zinc/15/67/06/899156706.db2.gz	OLDDYRCLGCHXLM-TZMCWYRMSA-N	1	0	360.380	1.841	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3CC)CC2)CC1	ZINC000943721865	899291359	/nfs/dbraw/zinc/29/13/59/899291359.db2.gz	XPEVFLNLKRKTQH-NXWXRZEISA-N	1	0	359.514	1.921	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1	ZINC000943773776	899354741	/nfs/dbraw/zinc/35/47/41/899354741.db2.gz	LULURCVDRBAPJV-TXTZMMAHSA-N	1	0	363.502	1.463	20	30		FDEDRO
Cc1nn(C)cc1CC(=O)N1C[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001084413158	914341521	/nfs/dbraw/zinc/34/15/21/914341521.db2.gz	KVTLUIAKAPAITK-UYAOXDASSA-N	1	0	363.465	1.876	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C=C)c2ccccc2)C[C@H]1C	ZINC001107017504	899552338	/nfs/dbraw/zinc/55/23/38/899552338.db2.gz	ABGSCMPZZORCBQ-BHIYHBOVSA-N	1	0	353.466	1.390	20	30		FDEDRO
Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)CC#Cc3ccccc3)C[C@H]2C)[nH]1	ZINC001107016986	899553413	/nfs/dbraw/zinc/55/34/13/899553413.db2.gz	KFJSTCSVPODPCB-CRAIPNDOSA-N	1	0	351.454	1.739	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C=C)c2ccccc2)C[C@H]1C	ZINC001107018872	899558769	/nfs/dbraw/zinc/55/87/69/899558769.db2.gz	OCKISVYMFZXADQ-QWFCFKBJSA-N	1	0	367.493	1.780	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C)nc2C)C[C@H]1C	ZINC001107020009	899593994	/nfs/dbraw/zinc/59/39/94/899593994.db2.gz	ABHLUZJBUXUGMJ-KBRIMQKVSA-N	1	0	356.470	1.134	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C	ZINC000944079249	899820973	/nfs/dbraw/zinc/82/09/73/899820973.db2.gz	NOXCUMVBDUWNQK-NCOADZHNSA-N	1	0	351.491	1.271	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC(C)(C)c2ccccc2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001107035484	899986227	/nfs/dbraw/zinc/98/62/27/899986227.db2.gz	ITLGLIZRRMXNEW-IAGOWNOFSA-N	1	0	370.497	1.678	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2OC)cc1	ZINC000944346253	900144525	/nfs/dbraw/zinc/14/45/25/900144525.db2.gz	QVIRRCXVFRUWSY-CEXWTWQISA-N	1	0	369.465	1.108	20	30		FDEDRO
CC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1	ZINC001107049797	900172370	/nfs/dbraw/zinc/17/23/70/900172370.db2.gz	BERDGBJMSYSAQY-DUXKGJEZSA-N	1	0	367.493	1.733	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]C[C@H](O)COC)[C@H](C)C2)CCCCC1	ZINC001107058894	900285439	/nfs/dbraw/zinc/28/54/39/900285439.db2.gz	GJXZOLWXOVHPPT-KURKYZTESA-N	1	0	350.503	1.652	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]Cc2noc3c2COCC3)[C@H](C)C1	ZINC001107065248	900454971	/nfs/dbraw/zinc/45/49/71/900454971.db2.gz	KLRXWEKALMHPPV-HUUCEWRRSA-N	1	0	363.458	1.524	20	30		FDEDRO
C[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@]1(CO)CCOC1	ZINC000763886302	900479586	/nfs/dbraw/zinc/47/95/86/900479586.db2.gz	SDKBGTCNGBXHEF-KUHUBIRLSA-N	1	0	352.394	1.307	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccco2)C3)CC1	ZINC000995635047	900808455	/nfs/dbraw/zinc/80/84/55/900808455.db2.gz	SJXABLMSJFWJET-IKGGRYGDSA-N	1	0	355.438	1.487	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccccc2)C3)CC1	ZINC000995643339	900939854	/nfs/dbraw/zinc/93/98/54/900939854.db2.gz	JXXPKRFCFCWFRF-AABGKKOBSA-N	1	0	365.477	1.894	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cnc(C3CC3)nc2)[C@@H](n2ccnn2)C1	ZINC001129307656	901068037	/nfs/dbraw/zinc/06/80/37/901068037.db2.gz	JZBOREYABSEQOW-SJORKVTESA-N	1	0	367.457	1.567	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CCNc2nccnc2C#N)CC[N@@H+]1C	ZINC001063853267	901169784	/nfs/dbraw/zinc/16/97/84/901169784.db2.gz	QCZSWXIHMKWOJG-BZUAXINKSA-N	1	0	356.474	1.872	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(C[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)C1=O	ZINC000348493833	901318785	/nfs/dbraw/zinc/31/87/85/901318785.db2.gz	CKNXLHSXMQBAGQ-SJLPKXTDSA-N	1	0	372.469	1.320	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NC(=O)C[N@H+]2CCC(C)(C)C2)CCC1	ZINC001064584535	901437033	/nfs/dbraw/zinc/43/70/33/901437033.db2.gz	RNYKFGFLXOLTNZ-CVEARBPZSA-N	1	0	363.502	1.465	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CCN(c4nccnc4C#N)C3)C2)CC[N@@H+]1C	ZINC001064650235	901520039	/nfs/dbraw/zinc/52/00/39/901520039.db2.gz	RXQWCRHXRWHBDG-XAUMDUMWSA-N	1	0	368.485	1.507	20	30		FDEDRO
C[NH+](C)C1CCN(C(=O)Cc2noc(-c3ccc(CC#N)cc3)n2)CC1	ZINC000350973277	901712846	/nfs/dbraw/zinc/71/28/46/901712846.db2.gz	SSLYHAGDSDHNLR-UHFFFAOYSA-N	1	0	353.426	1.898	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccc(OC)o2)C1	ZINC001079146219	901963849	/nfs/dbraw/zinc/96/38/49/901963849.db2.gz	ZVSQNUULYWXFQC-QZTJIDSGSA-N	1	0	368.433	1.999	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)CC[C@H]1c1ccc(F)cc1	ZINC001079150128	901981791	/nfs/dbraw/zinc/98/17/91/901981791.db2.gz	CCEJRCADVNEBBF-RYQLBKOJSA-N	1	0	357.429	1.259	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)CC[C@H]1c1ccc(F)cc1	ZINC001079150051	901981939	/nfs/dbraw/zinc/98/19/39/901981939.db2.gz	ZMBLPBRXNYISOI-IPMKNSEASA-N	1	0	361.461	1.616	20	30		FDEDRO
C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[C@H]1c1ccc(F)cc1	ZINC001079150464	901982922	/nfs/dbraw/zinc/98/29/22/901982922.db2.gz	SHXIPQQYOKNHHA-XVGQJIODSA-N	1	0	370.428	1.994	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]1CN(CC#N)C[C@H]1O	ZINC001079134614	901997111	/nfs/dbraw/zinc/99/71/11/901997111.db2.gz	IHIUSOSMRHIUKD-VAMGGRTRSA-N	1	0	370.497	1.457	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@]23C[C@H]2COC3)C1	ZINC001079135796	902003123	/nfs/dbraw/zinc/00/31/23/902003123.db2.gz	NMCMFCQSINCWKF-PXCRPINLSA-N	1	0	356.466	1.673	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2c(C)ncn2C)C1	ZINC001079137129	902012590	/nfs/dbraw/zinc/01/25/90/902012590.db2.gz	WLDYJSXYICFBBQ-RTBURBONSA-N	1	0	366.465	1.439	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccoc1C)C2	ZINC000995712799	902024390	/nfs/dbraw/zinc/02/43/90/902024390.db2.gz	IFFAQYBPDAEZMR-UBDQQSCGSA-N	1	0	355.438	1.547	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCNC2=O)C1	ZINC001079140489	902028178	/nfs/dbraw/zinc/02/81/78/902028178.db2.gz	LDNLSKHTZMOJTF-GUDVDZBRSA-N	1	0	371.481	1.163	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000764014438	902065386	/nfs/dbraw/zinc/06/53/86/902065386.db2.gz	RPRHSRMURYTXPK-UHFFFAOYSA-N	1	0	369.462	1.167	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn(CC=C)nn2)C[C@H]1c1cccc(F)c1	ZINC001079202050	902102872	/nfs/dbraw/zinc/10/28/72/902102872.db2.gz	PIEXBGWUXQKCKZ-DLBZAZTESA-N	1	0	355.417	1.987	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)C[C@H]1c1cccc(F)c1	ZINC001079210802	902119300	/nfs/dbraw/zinc/11/93/00/902119300.db2.gz	BHKWDUXWDRZDFS-BBWFWOEESA-N	1	0	366.458	1.473	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3cncn3C2)C[C@H]1c1cccc(F)c1	ZINC001079188979	902139859	/nfs/dbraw/zinc/13/98/59/902139859.db2.gz	BIBCAYFOUPRIPV-FFZOFVMBSA-N	1	0	366.440	1.802	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)N2CCCCC2=O)C[C@H]1c1cccc(F)c1	ZINC001079211095	902145856	/nfs/dbraw/zinc/14/58/56/902145856.db2.gz	QMZVPUDVXDJUIR-ZYSHUDEJSA-N	1	0	371.456	1.744	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cncnc2)C[C@H]1c1cccc(F)c1	ZINC001079195323	902157480	/nfs/dbraw/zinc/15/74/80/902157480.db2.gz	PDXSRVJMMJQZLF-ZOCIIQOWSA-N	1	0	352.413	1.937	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3ncoc3CC)[C@@H]3COC[C@@H]32)CC1	ZINC001079231626	902166673	/nfs/dbraw/zinc/16/66/73/902166673.db2.gz	UEKKSMBKSBFTJC-JKSUJKDBSA-N	1	0	357.454	1.813	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cccc(=O)[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079233910	902170046	/nfs/dbraw/zinc/17/00/46/902170046.db2.gz	ZBDDZNUJBVJUDZ-DOTOQJQBSA-N	1	0	355.438	1.364	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)C[C@@H]3CCCCO3)[C@@H]3COC[C@@H]32)CC1	ZINC001079234344	902170278	/nfs/dbraw/zinc/17/02/78/902170278.db2.gz	HZRLLDCBLVRGQV-GBESFXJTSA-N	1	0	360.498	1.908	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3ccc(C#N)[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079236942	902177470	/nfs/dbraw/zinc/17/74/70/902177470.db2.gz	DZTIJCVAYGXYES-FUHWJXTLSA-N	1	0	352.438	1.463	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCOCC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079239119	902183809	/nfs/dbraw/zinc/18/38/09/902183809.db2.gz	CZPMGEOFQCZITP-CEXWTWQISA-N	1	0	360.498	1.766	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)c2ccc(C[NH+](C)C)cc2)C1	ZINC000995798375	902231870	/nfs/dbraw/zinc/23/18/70/902231870.db2.gz	BAPWYAUPQAWPSE-OALUTQOASA-N	1	0	371.481	1.670	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)CC[C@H]3CCCO3)[C@@H]3COC[C@@H]32)CC1	ZINC001079226148	902236800	/nfs/dbraw/zinc/23/68/00/902236800.db2.gz	MZFKNWIUUMQHCL-CEXWTWQISA-N	1	0	360.498	1.908	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)Cc3cnn(C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079227062	902238462	/nfs/dbraw/zinc/23/84/62/902238462.db2.gz	ADRPTVUPNCAYOH-ZWKOTPCHSA-N	1	0	358.486	1.478	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC2(CC[NH+](CCc3ccnn3C)CC2)[C@H]2COC[C@H]21	ZINC001079228229	902241273	/nfs/dbraw/zinc/24/12/73/902241273.db2.gz	CEEKFTVUXSKIMV-BPQIPLTHSA-N	1	0	371.485	1.062	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cn4c(n3)CCCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079244814	902249873	/nfs/dbraw/zinc/24/98/73/902249873.db2.gz	HAYWMYWDEDCOHP-FUHWJXTLSA-N	1	0	370.497	1.958	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cnn4ncccc34)[C@@H]3COC[C@@H]32)CC1	ZINC001079245781	902256073	/nfs/dbraw/zinc/25/60/73/902256073.db2.gz	HJDCEIUGDZTBSB-FUHWJXTLSA-N	1	0	367.453	1.468	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCNC3=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079246193	902256898	/nfs/dbraw/zinc/25/68/98/902256898.db2.gz	VIFFTBZFNRSKLU-YESZJQIVSA-N	1	0	361.486	1.028	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3OCCO[C@H]3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079246127	902257479	/nfs/dbraw/zinc/25/74/79/902257479.db2.gz	RKVAWWUTTDOYIQ-FJIDUMEYSA-N	1	0	364.486	1.306	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3ccn(C)c(=O)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079248183	902262768	/nfs/dbraw/zinc/26/27/68/902262768.db2.gz	LDLSPHOFCGZQSZ-DLBZAZTESA-N	1	0	357.454	1.124	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)CC3CC(F)(F)C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079248230	902264043	/nfs/dbraw/zinc/26/40/43/902264043.db2.gz	NCZSDJZCVASGKY-JKSUJKDBSA-N	1	0	352.425	1.994	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cnc4nccn4c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079251341	902271767	/nfs/dbraw/zinc/27/17/67/902271767.db2.gz	RKPHFFXQGVFRQR-DLBZAZTESA-N	1	0	367.453	1.468	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)C[C@@H](C)c3cnn(C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079252520	902274799	/nfs/dbraw/zinc/27/47/99/902274799.db2.gz	MHXJGMRAMATMDW-NZSAHSFTSA-N	1	0	370.497	1.486	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)CCc3ccnc(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079252975	902276147	/nfs/dbraw/zinc/27/61/47/902276147.db2.gz	WGGQMUXJEOASFC-RBUKOAKNSA-N	1	0	370.497	1.843	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)CCc3nc(C)no3)[C@@H]3COC[C@@H]32)CC1	ZINC001079254590	902281561	/nfs/dbraw/zinc/28/15/61/902281561.db2.gz	KCMNWBJKRNAKIH-JKSUJKDBSA-N	1	0	360.458	1.436	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3c(C)nn(C)c3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079254656	902281591	/nfs/dbraw/zinc/28/15/91/902281591.db2.gz	NPERLBIVLJVNPY-ZWKOTPCHSA-N	1	0	370.497	1.613	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)CCc3cncs3)[C@@H]3COC[C@@H]32)CC1	ZINC001079260032	902297462	/nfs/dbraw/zinc/29/74/62/902297462.db2.gz	XXMXBMQYLFXRNS-DLBZAZTESA-N	1	0	359.495	1.648	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ocnc3C3CC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079260632	902297856	/nfs/dbraw/zinc/29/78/56/902297856.db2.gz	HFPSFOQNELJUGO-JKSUJKDBSA-N	1	0	355.438	1.738	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cnc(C4CC4)nc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079265638	902312494	/nfs/dbraw/zinc/31/24/94/902312494.db2.gz	UDSYIQVEJOPYHY-ZWKOTPCHSA-N	1	0	366.465	1.540	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H](C)c3c(C)noc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079266841	902315600	/nfs/dbraw/zinc/31/56/00/902315600.db2.gz	LYAKMDZIMIGOKU-JCGIZDLHSA-N	1	0	371.481	1.968	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)Cn3ccnc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079273848	902317105	/nfs/dbraw/zinc/31/71/05/902317105.db2.gz	SQXZZMVASUEYRK-ZWKOTPCHSA-N	1	0	356.470	1.154	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cc(CC)nn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079268007	902317936	/nfs/dbraw/zinc/31/79/36/902317936.db2.gz	HKQGTFCPBCVYHG-PKOBYXMFSA-N	1	0	370.497	1.559	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H](C)Cc3cnn(C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269159	902324105	/nfs/dbraw/zinc/32/41/05/902324105.db2.gz	JPPQZTVFTUBDMZ-YTQUADARSA-N	1	0	370.497	1.171	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cn(C)nc3Cl)[C@@H]3COC[C@@H]32)CC1	ZINC001079270293	902328396	/nfs/dbraw/zinc/32/83/96/902328396.db2.gz	LKBSEGKJPGNRKX-LSDHHAIUSA-N	1	0	362.861	1.260	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@H](OC)c3ccccc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079270523	902329861	/nfs/dbraw/zinc/32/98/61/902329861.db2.gz	WOVBLXGTVVBISS-XUVXKRRUSA-N	1	0	368.477	1.947	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@H](C)Oc3ccccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079270505	902329965	/nfs/dbraw/zinc/32/99/65/902329965.db2.gz	VWORMFXCBJDXMS-OKZBNKHCSA-N	1	0	371.481	1.974	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3[nH]cnc3CC)[C@@H]3COC[C@@H]32)CC1	ZINC001079272197	902334960	/nfs/dbraw/zinc/33/49/60/902334960.db2.gz	HBSBPSKMZIRROS-DOTOQJQBSA-N	1	0	356.470	1.548	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)Cc3c(C)noc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079272819	902337155	/nfs/dbraw/zinc/33/71/55/902337155.db2.gz	ZDAFIGFDDLVHRJ-ZWKOTPCHSA-N	1	0	359.470	1.959	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc(OC)ns3)[C@@H]3COC[C@@H]32)CC1	ZINC001079242955	902339030	/nfs/dbraw/zinc/33/90/30/902339030.db2.gz	BXPROGUGHOQWDS-UONOGXRCSA-N	1	0	361.467	1.338	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCN(C)C2=O)C[C@H]1c1ccccc1F	ZINC001079299265	902341981	/nfs/dbraw/zinc/34/19/81/902341981.db2.gz	HBUNRIQHGQBJNS-UWWQBHOKSA-N	1	0	359.445	1.764	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(=O)c(OC)c[nH]2)C[C@H]1c1ccccc1F	ZINC001079303042	902353271	/nfs/dbraw/zinc/35/32/71/902353271.db2.gz	XXKMXGCQWPDDDM-WMLDXEAASA-N	1	0	369.396	1.354	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)CCn3cc(C)cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079274167	902355308	/nfs/dbraw/zinc/35/53/08/902355308.db2.gz	KLFDEHHGHSZCPX-RBUKOAKNSA-N	1	0	370.497	1.544	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CCn2cccn2)C1	ZINC001079287112	902383932	/nfs/dbraw/zinc/38/39/32/902383932.db2.gz	OATJGISRNWTFPJ-UWWQBHOKSA-N	1	0	355.417	1.766	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC)C2)C[C@H]1c1ccccc1F	ZINC001079296512	902400174	/nfs/dbraw/zinc/40/01/74/902400174.db2.gz	DUQQXJOVYFQXDC-UWWQBHOKSA-N	1	0	357.429	1.211	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2nc(CC)c[nH]2)C[C@H]1c1ccccc1F	ZINC001079298969	902407610	/nfs/dbraw/zinc/40/76/10/902407610.db2.gz	PRHCNCDREKCRDY-FUHWJXTLSA-N	1	0	354.429	1.871	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnc3n2CCOC3)C[C@H]1c1ccccc1F	ZINC001079299098	902407815	/nfs/dbraw/zinc/40/78/15/902407815.db2.gz	XJYJJZYTKMHUEW-DOTOQJQBSA-N	1	0	370.428	1.936	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C)C2)C[C@H]1c1ccccc1F	ZINC001079317866	902417410	/nfs/dbraw/zinc/41/74/10/902417410.db2.gz	SYMPYMZOWAEJED-UWWQBHOKSA-N	1	0	357.429	1.211	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)=O)C[C@H]1c1ccccc1F	ZINC001079318425	902417675	/nfs/dbraw/zinc/41/76/75/902417675.db2.gz	CKHMKZWOOHUUDZ-UHOSZYNNSA-N	1	0	359.445	1.907	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCS2(=O)=O)C[C@H]1c1ccccc1F	ZINC001079322401	902426383	/nfs/dbraw/zinc/42/63/83/902426383.db2.gz	RKYURTRPFREELD-USXIJHARSA-N	1	0	366.458	1.473	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]CC(N)=O)C2)cc1	ZINC001079305236	902436502	/nfs/dbraw/zinc/43/65/02/902436502.db2.gz	SBKVQAIWUYBOJD-PKOBYXMFSA-N	1	0	365.408	1.490	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]C[C@@H](C)O)C2)c1	ZINC001079309655	902444698	/nfs/dbraw/zinc/44/46/98/902444698.db2.gz	KTMKHDBLWJVKCW-HEFCMCLBSA-N	1	0	367.424	1.781	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2CC[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21	ZINC001084409292	914636737	/nfs/dbraw/zinc/63/67/37/914636737.db2.gz	QUUKPEFTVGSJEP-ZIFCJYIRSA-N	1	0	369.469	1.078	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2ccccc2C#N)C(C)(C)C1	ZINC000995914161	902688611	/nfs/dbraw/zinc/68/86/11/902688611.db2.gz	BNPBGHHMGGBZDN-WBAXXEDZSA-N	1	0	357.454	1.689	20	30		FDEDRO
CNC(=O)c1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)cc1	ZINC001079588352	902844240	/nfs/dbraw/zinc/84/42/40/902844240.db2.gz	FHYIMUJNIWKCPK-FZKQIMNGSA-N	1	0	365.437	1.496	20	30		FDEDRO
C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1C)n1cncn1	ZINC001079596057	902882336	/nfs/dbraw/zinc/88/23/36/902882336.db2.gz	OEHVWFXFEJDXAT-IIDMSEBBSA-N	1	0	368.441	1.378	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)Cc3ccnn3C)C2)cc1C#N	ZINC001079638623	902977010	/nfs/dbraw/zinc/97/70/10/902977010.db2.gz	YZJHARUZWXFJTF-RDTXWAMCSA-N	1	0	367.453	1.480	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C#N)[nH]1)C2	ZINC000996102713	903085760	/nfs/dbraw/zinc/08/57/60/903085760.db2.gz	FOWUEDGZBINIGZ-LAVFITLUSA-N	1	0	369.469	1.622	20	30		FDEDRO
C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1(C)C	ZINC000996077555	903096624	/nfs/dbraw/zinc/09/66/24/903096624.db2.gz	GONQIGWOSASUGH-SQNIBIBYSA-N	1	0	365.518	1.269	20	30		FDEDRO
CCn1nnc(C)c1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C	ZINC001079838850	903469496	/nfs/dbraw/zinc/46/94/96/903469496.db2.gz	ODXXPDUYFXGCDU-CXAGYDPISA-N	1	0	352.442	1.728	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N(CC)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)OCC	ZINC001079883990	903616029	/nfs/dbraw/zinc/61/60/29/903616029.db2.gz	DELSZDBPRBZKMS-KBAYOESNSA-N	1	0	365.518	1.757	20	30		FDEDRO
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C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)c3ccccn3)CCC[C@@H]12	ZINC001107640684	906199493	/nfs/dbraw/zinc/19/94/93/906199493.db2.gz	DDTHOTZUSFRGJX-YLJYHZDGSA-N	1	0	354.454	1.196	20	30		FDEDRO
CCOCCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC#CCOC)CC2	ZINC001107641677	906207134	/nfs/dbraw/zinc/20/71/34/906207134.db2.gz	FKMMKWLYYJPDBQ-QWFCFKBJSA-N	1	0	366.502	1.439	20	30		FDEDRO
CC(C)OCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107652410	906243098	/nfs/dbraw/zinc/24/30/98/906243098.db2.gz	SGOIINYMKBOOHI-VQIMIIECSA-N	1	0	364.490	1.192	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCNC(=O)[C@H]3CCCO3)CCC[C@@H]12	ZINC001107654953	906255392	/nfs/dbraw/zinc/25/53/92/906255392.db2.gz	MJICIXGYQONQJW-MBOZVWFJSA-N	1	0	361.486	1.056	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3cccc(C)c3)C[C@H]2OC)nn1	ZINC001082214096	906302756	/nfs/dbraw/zinc/30/27/56/906302756.db2.gz	NTCQWZFWRSNVKB-KVSKMBFKSA-N	1	0	369.469	1.963	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCS(=O)(=O)C1)C2	ZINC001112538921	906479524	/nfs/dbraw/zinc/47/95/24/906479524.db2.gz	BDYCHGZOLLCVDO-BQFCYCMXSA-N	1	0	352.500	1.053	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2	ZINC000996920133	906512464	/nfs/dbraw/zinc/51/24/64/906512464.db2.gz	ACNBUTACMNUYLV-FPSMNIFISA-N	1	0	373.497	1.312	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001080877795	906567808	/nfs/dbraw/zinc/56/78/08/906567808.db2.gz	MMVLDODGGIQCQZ-HZPDHXFCSA-N	1	0	365.518	1.399	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)Cc3csc(C)n3)C2)C1=O	ZINC001080904618	906626565	/nfs/dbraw/zinc/62/65/65/906626565.db2.gz	QPQXFXZZYXBYBO-WQVCFCJDSA-N	1	0	362.499	1.217	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)CN1CCCCCC1=O	ZINC001080905635	906632075	/nfs/dbraw/zinc/63/20/75/906632075.db2.gz	LXVUPOUJCSTXDZ-VQIMIIECSA-N	1	0	368.481	1.897	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)CC[N@@H+](C)CC	ZINC001082302698	906684636	/nfs/dbraw/zinc/68/46/36/906684636.db2.gz	COCVPZSEWCOYNT-BBWFWOEESA-N	1	0	351.491	1.417	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)CN1CCCC1	ZINC001080943215	906763711	/nfs/dbraw/zinc/76/37/11/906763711.db2.gz	WFMGLMXCNKNOOQ-VQIMIIECSA-N	1	0	356.470	1.621	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)C3CCCCC3)C[C@H]2OC)nc1	ZINC001082331654	906808650	/nfs/dbraw/zinc/80/86/50/906808650.db2.gz	XIEIANMZYMPVGV-VAMGGRTRSA-N	1	0	371.481	1.433	20	30		FDEDRO
C=C(Br)C[NH2+]C1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC1	ZINC000996999631	906865560	/nfs/dbraw/zinc/86/55/60/906865560.db2.gz	DADWOQQFHFGXOI-OLZOCXBDSA-N	1	0	358.280	1.200	20	30		FDEDRO
C=C(Br)CN1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](OC)C1	ZINC001082325794	906901187	/nfs/dbraw/zinc/90/11/87/906901187.db2.gz	AMAHVAPXMNMQKF-MGPQQGTHSA-N	1	0	360.296	1.052	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCN(c2cccc(CNC(=O)[C@H]3CC[C@@H](C)O3)n2)C1	ZINC001127852715	906910598	/nfs/dbraw/zinc/91/05/98/906910598.db2.gz	VJORSIUFMNBMRA-KBAYOESNSA-N	1	0	356.470	1.457	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(C(=O)NC)cc2)CC1	ZINC000997013192	906932085	/nfs/dbraw/zinc/93/20/85/906932085.db2.gz	YYLXABBXIOEKJG-MOPGFXCFSA-N	1	0	371.481	1.718	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1OC	ZINC001082345280	906935728	/nfs/dbraw/zinc/93/57/28/906935728.db2.gz	CMCXDLZMYZJMGH-NSISKUIASA-N	1	0	356.466	1.452	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C3)cc1	ZINC000997014670	906936613	/nfs/dbraw/zinc/93/66/13/906936613.db2.gz	CIKHRRCHWGXUKL-SBUWESJJSA-N	1	0	365.477	1.870	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]2C)cc1	ZINC001081011358	906942383	/nfs/dbraw/zinc/94/23/83/906942383.db2.gz	WIHXOOFDLRTSEK-ATZDWAIDSA-N	1	0	371.481	1.461	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3ncc(C)s3)C[C@H]2C)CC1	ZINC001080998215	906975856	/nfs/dbraw/zinc/97/58/56/906975856.db2.gz	WDUUISTYXRBESJ-RHSMWYFYSA-N	1	0	360.527	1.733	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(C(C)(C)C)nn2)C[C@H]1c1ccccc1	ZINC001081124781	907186153	/nfs/dbraw/zinc/18/61/53/907186153.db2.gz	WFVNMFKWQDQEQL-DLBZAZTESA-N	1	0	351.454	1.864	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C2CCC(C(N)=O)CC2)C[C@H]1c1ccccc1	ZINC001081135200	907238082	/nfs/dbraw/zinc/23/80/82/907238082.db2.gz	LCZTVKUANUHCGK-WZOJCFFYSA-N	1	0	353.466	1.496	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn3c2OCCC3)C[C@H]1c1ccccc1	ZINC001081140297	907247495	/nfs/dbraw/zinc/24/74/95/907247495.db2.gz	SRGIHYQXPBBKTK-ZWKOTPCHSA-N	1	0	350.422	1.497	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccn(CCOC)n2)C[C@H]1c1ccccc1	ZINC001081143367	907254365	/nfs/dbraw/zinc/25/43/65/907254365.db2.gz	ZCOXYUDKLNOJBP-PKOBYXMFSA-N	1	0	352.438	1.361	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)C[C@H]1c1ccccc1	ZINC001081219581	907330591	/nfs/dbraw/zinc/33/05/91/907330591.db2.gz	JINIXFKCWREEGR-JKSUJKDBSA-N	1	0	370.453	1.087	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3n[nH]c(=O)n3c2)C[C@H]1c1ccccc1	ZINC001081197029	907378817	/nfs/dbraw/zinc/37/88/17/907378817.db2.gz	KZWDPFDLXVQQQT-DLBZAZTESA-N	1	0	363.421	1.819	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082426158	907667367	/nfs/dbraw/zinc/66/73/67/907667367.db2.gz	XUNSTKUDUKSEPT-CRAIPNDOSA-N	1	0	368.441	1.207	20	30		FDEDRO
COCc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@H](OC)C2)cc1	ZINC001081498217	907692754	/nfs/dbraw/zinc/69/27/54/907692754.db2.gz	TZFIFQYILQSMMX-RTBURBONSA-N	1	0	368.437	1.662	20	30		FDEDRO
Cc1nn(C)c(Cl)c1C[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC001082464632	907897990	/nfs/dbraw/zinc/89/79/90/907897990.db2.gz	XTUYBJZXNQERRZ-MEBBXXQBSA-N	1	0	360.849	1.832	20	30		FDEDRO
Cc1ncc(Cl)c(C(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@H]2O)n1	ZINC001077781606	907899295	/nfs/dbraw/zinc/89/92/95/907899295.db2.gz	ZPJJHMSTTBQDEN-HZPDHXFCSA-N	1	0	371.828	1.285	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1[NH2+]C[C@H](O)c1ccc(F)cc1	ZINC001082482089	907957654	/nfs/dbraw/zinc/95/76/54/907957654.db2.gz	MMFMNCYSTFKLJM-PJSAGSTRSA-N	1	0	356.401	1.809	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)CCc3ncc[nH]3)C[C@H]2C)cc1C#N	ZINC001082492378	908011111	/nfs/dbraw/zinc/01/11/11/908011111.db2.gz	RCKHPGGLVGLBRT-RHSMWYFYSA-N	1	0	367.453	1.859	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]CCc1ccc2c(c1)OCCO2	ZINC001082504688	908116304	/nfs/dbraw/zinc/11/63/04/908116304.db2.gz	YCQDBNOZMBJCDC-CRAIPNDOSA-N	1	0	354.450	1.850	20	30		FDEDRO
C[C@@H]1CN(C(=O)CO[C@H]2CCOC2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082508236	908153927	/nfs/dbraw/zinc/15/39/27/908153927.db2.gz	VMZXLFCVOWCPHI-RPVQJOFSSA-N	1	0	361.417	1.439	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082518345	908203010	/nfs/dbraw/zinc/20/30/10/908203010.db2.gz	LNQBJOQJAWBJTO-DTTOXWODSA-N	1	0	354.454	1.409	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)CCC3)C[C@H]1C	ZINC001082520355	908218559	/nfs/dbraw/zinc/21/85/59/908218559.db2.gz	RACNNZJEEVYVOZ-ZYHUDNBSSA-N	1	0	353.264	1.788	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cc([C@H]3CCCN3C)[nH]n2)C[C@H]1C	ZINC001082525323	908258230	/nfs/dbraw/zinc/25/82/30/908258230.db2.gz	JZEUVIVWDDGVKE-HFBAOOFYSA-N	1	0	351.882	1.979	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H](C)C1CC[NH+](CC(=O)NC)CC1	ZINC000997342984	908273772	/nfs/dbraw/zinc/27/37/72/908273772.db2.gz	WMNUSVWOFANBGB-HFTRVMKXSA-N	1	0	351.491	1.320	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2=CCCC2)CC1	ZINC000997357475	908326872	/nfs/dbraw/zinc/32/68/72/908326872.db2.gz	LOEHGKYFKJXBFS-QYZOEREBSA-N	1	0	355.482	1.690	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3c(F)cncc3F)C[C@H]2C)C1=O	ZINC001082536688	908330945	/nfs/dbraw/zinc/33/09/45/908330945.db2.gz	FNBTVXKBWFWTJH-KCPJHIHWSA-N	1	0	364.396	1.197	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2ccn(C)n2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082539684	908361840	/nfs/dbraw/zinc/36/18/40/908361840.db2.gz	VFZHERFBNXWGIP-DNVCBOLYSA-N	1	0	351.454	1.861	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3c(C4CC4)cnn3C)C[C@H]2C)C1=O	ZINC001082552598	908521108	/nfs/dbraw/zinc/52/11/08/908521108.db2.gz	GLPBKXCOSUJVMD-KBRIMQKVSA-N	1	0	371.485	1.135	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccc(F)c(F)c3)C[C@H]2C)C1=O	ZINC001082561320	908626244	/nfs/dbraw/zinc/62/62/44/908626244.db2.gz	HSWOVUYRBVYSMD-OAUYIBNBSA-N	1	0	363.408	1.802	20	30		FDEDRO
Cc1nn(C)cc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1	ZINC001082564077	908658766	/nfs/dbraw/zinc/65/87/66/908658766.db2.gz	VERACGHXMLWTDJ-BFUOFWGJSA-N	1	0	369.444	1.919	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1C	ZINC001082578785	908763992	/nfs/dbraw/zinc/76/39/92/908763992.db2.gz	JWIAEMUTKYEJJP-MLGOLLRUSA-N	1	0	367.409	1.313	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)COCC3)C[C@H]1C	ZINC001082594193	908879682	/nfs/dbraw/zinc/87/96/82/908879682.db2.gz	HSJGVGXAANCVEY-ZYHUDNBSSA-N	1	0	369.263	1.372	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCn3ccnc3C2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082604642	908927932	/nfs/dbraw/zinc/92/79/32/908927932.db2.gz	WJDRIYPUUNAEHF-GPMSIDNRSA-N	1	0	363.465	1.954	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCN(C)C(=O)C2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082599744	908959015	/nfs/dbraw/zinc/95/90/15/908959015.db2.gz	ICTHFTLGLGEYKT-FHLIZLRMSA-N	1	0	354.454	1.363	20	30		FDEDRO
Cn1cc(C(=O)NCC2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)cn1	ZINC000265638226	908960624	/nfs/dbraw/zinc/96/06/24/908960624.db2.gz	IQGATFSVJHBSQB-UHFFFAOYSA-N	1	0	367.453	1.964	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@H]2COCCN2CC)C[C@H]1C	ZINC001082607872	908981439	/nfs/dbraw/zinc/98/14/39/908981439.db2.gz	TZMJPLGLBSTKGP-MRVWCRGKSA-N	1	0	360.296	1.052	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc4cnccc4o3)C[C@H]2C)C1=O	ZINC001082620351	909122007	/nfs/dbraw/zinc/12/20/07/909122007.db2.gz	PAPOLWOVGGOPEI-VNQPRFMTSA-N	1	0	368.437	1.665	20	30		FDEDRO
COc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)nn1C	ZINC001082633962	909201795	/nfs/dbraw/zinc/20/17/95/909201795.db2.gz	XYYICXNUGLNWRS-SJKOYZFVSA-N	1	0	371.416	1.690	20	30		FDEDRO
COc1nccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3F)C2)n1	ZINC001082636651	909237730	/nfs/dbraw/zinc/23/77/30/909237730.db2.gz	ISVZSIWRVJCZNK-SJKOYZFVSA-N	1	0	369.400	1.746	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnc3nccn3c2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082644447	909294379	/nfs/dbraw/zinc/29/43/79/909294379.db2.gz	LIMLDVKMAAHYSW-RDTXWAMCSA-N	1	0	360.421	1.851	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccc(=O)[nH]c2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082648931	909336269	/nfs/dbraw/zinc/33/62/69/909336269.db2.gz	HCHOQDXYFKVPBV-RDTXWAMCSA-N	1	0	350.422	1.838	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082659147	909430211	/nfs/dbraw/zinc/43/02/11/909430211.db2.gz	WIZUBONWQCKPEX-CRAIPNDOSA-N	1	0	351.454	1.861	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc(C4CC4)on3)C[C@H]2C)C1=O	ZINC001082670489	909487817	/nfs/dbraw/zinc/48/78/17/909487817.db2.gz	UDAKGYBOTWGVIY-IVMMDQJWSA-N	1	0	358.442	1.389	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc(OC)cs3)C[C@H]2C)C1=O	ZINC001082679798	909504109	/nfs/dbraw/zinc/50/41/09/909504109.db2.gz	XXSDNGPNYYVCAV-VHDGCEQUSA-N	1	0	363.483	1.594	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2C)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082680557	909587662	/nfs/dbraw/zinc/58/76/62/909587662.db2.gz	NOYSXGSTSCDWRN-ZTFGCOKTSA-N	1	0	354.454	1.506	20	30		FDEDRO
COc1nn(C)cc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC001082681457	909596079	/nfs/dbraw/zinc/59/60/79/909596079.db2.gz	UFDKKJVPCJDKGL-SJKOYZFVSA-N	1	0	371.416	1.690	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCO[C@H](C)C2)C1	ZINC001082682019	909600613	/nfs/dbraw/zinc/60/06/13/909600613.db2.gz	MJXITUQERGOAIV-BZUAXINKSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC000997750168	909602636	/nfs/dbraw/zinc/60/26/36/909602636.db2.gz	MWWYKJBPJIOPGQ-UAGQMJEPSA-N	1	0	351.491	1.415	20	30		FDEDRO
C[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000997757040	909624068	/nfs/dbraw/zinc/62/40/68/909624068.db2.gz	YPMOZRYZCUNHDN-VHSSKADRSA-N	1	0	354.454	1.396	20	30		FDEDRO
Cc1cnn(C)c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1	ZINC001082693382	909635745	/nfs/dbraw/zinc/63/57/45/909635745.db2.gz	RZBVYPNDDIBWKF-CXAGYDPISA-N	1	0	355.417	1.990	20	30		FDEDRO
Cc1ncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)n1C	ZINC001082705454	909715790	/nfs/dbraw/zinc/71/57/90/909715790.db2.gz	FBTYMPBZFYMOHR-SJKOYZFVSA-N	1	0	355.417	1.990	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCn3nc(C)nc3C)C2)c1	ZINC001082730208	909864699	/nfs/dbraw/zinc/86/46/99/909864699.db2.gz	GQJDGHMCJQZGBR-FZKQIMNGSA-N	1	0	352.442	1.022	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc(C)cc(F)c3)C[C@H]2C)C1=O	ZINC001082759619	910031580	/nfs/dbraw/zinc/03/15/80/910031580.db2.gz	YSERSTPPMRWOSP-FHLIZLRMSA-N	1	0	359.445	1.971	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@@H]3CCC(F)(F)C3)C2)nn1	ZINC001082791352	910193274	/nfs/dbraw/zinc/19/32/74/910193274.db2.gz	NDTYTVMQKFRPTJ-MGPQQGTHSA-N	1	0	353.417	1.950	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082802461	910226685	/nfs/dbraw/zinc/22/66/85/910226685.db2.gz	JZWDJKNCKQKJJS-CSMYWGQOSA-N	1	0	358.417	1.303	20	30		FDEDRO
COc1ccc(C[NH2+]CC2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)cc1C#N	ZINC000998084686	910315952	/nfs/dbraw/zinc/31/59/52/910315952.db2.gz	WHRFFAZCCAFOEI-SJORKVTESA-N	1	0	370.453	1.016	20	30		FDEDRO
CCC(=O)N1CC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1	ZINC001082846500	910424230	/nfs/dbraw/zinc/42/42/30/910424230.db2.gz	YGDJWCZDJHHCNI-AYOQOUSVSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3nc[nH]c3C2)C[C@H]1C	ZINC001082846430	910425071	/nfs/dbraw/zinc/42/50/71/910425071.db2.gz	VGFNLQSISFHTDZ-IXPVHAAZSA-N	1	0	367.291	1.860	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2nncn2C)CC1	ZINC000998143950	910459551	/nfs/dbraw/zinc/45/95/51/910459551.db2.gz	VKDJQOPHECUAHQ-WMZOPIPTSA-N	1	0	361.490	1.515	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnnn2C)C1	ZINC001082851520	910463630	/nfs/dbraw/zinc/46/36/30/910463630.db2.gz	JWTUYRSEPYZRAS-UKRRQHHQSA-N	1	0	356.430	1.025	20	30		FDEDRO
COCc1nocc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001082855432	910483659	/nfs/dbraw/zinc/48/36/59/910483659.db2.gz	WLNHELUVPAPOEQ-CXAGYDPISA-N	1	0	354.410	1.943	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnc(OC)nc3C)C2)nc1	ZINC001082869015	910510047	/nfs/dbraw/zinc/51/00/47/910510047.db2.gz	KBCKMNDMVZWYSX-FZKQIMNGSA-N	1	0	365.437	1.420	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(OC)ccn3)C2)nc1	ZINC001082869120	910511729	/nfs/dbraw/zinc/51/17/29/910511729.db2.gz	QXVNLFAUEIEPNF-AUUYWEPGSA-N	1	0	350.422	1.717	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082868463	910561605	/nfs/dbraw/zinc/56/16/05/910561605.db2.gz	BLTOYUMDVSVIIY-RDTXWAMCSA-N	1	0	350.422	1.507	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cccc(OC)c3)C[C@H]2C)C1=O	ZINC001082879764	910622524	/nfs/dbraw/zinc/62/25/24/910622524.db2.gz	MALARDIRCHKGGM-ZTFGCOKTSA-N	1	0	357.454	1.532	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2noc3c2COCC3)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082933533	910985239	/nfs/dbraw/zinc/98/52/39/910985239.db2.gz	VPOUCVGGKQGEOD-CXAGYDPISA-N	1	0	366.421	1.869	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(CC)cc2)C[C@H]1O	ZINC001077821792	911140116	/nfs/dbraw/zinc/14/01/16/911140116.db2.gz	GPFKSZSMDFMANT-NMLBUPMWSA-N	1	0	358.482	1.892	20	30		FDEDRO
O=C(C#CC1CC1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2	ZINC000998544906	911201619	/nfs/dbraw/zinc/20/16/19/911201619.db2.gz	SGZICTUCTGYZCW-LXZJYRNTSA-N	1	0	355.482	1.522	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cncn2-c2ccccc2)[C@H](OC)C1	ZINC001212406255	911379020	/nfs/dbraw/zinc/37/90/20/911379020.db2.gz	MRPLBYXMCJACQP-IEBWSBKVSA-N	1	0	370.453	1.504	20	30		FDEDRO
CC(=O)N1C[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)Oc2ccccc21	ZINC000727863366	911406687	/nfs/dbraw/zinc/40/66/87/911406687.db2.gz	IVKIUWUOGQYROV-GOSISDBHSA-N	1	0	358.442	1.494	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2CN(Cc3ccc(C#N)s3)C[C@@H]21	ZINC001083024646	911596366	/nfs/dbraw/zinc/59/63/66/911596366.db2.gz	VIYLLEPMPIYYCD-YESZJQIVSA-N	1	0	360.483	1.126	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCO[C@@H]2C[N@H+](Cc3cccc4cccnc43)C[C@@H]21	ZINC001083026121	911606996	/nfs/dbraw/zinc/60/69/96/911606996.db2.gz	OXFRTTSBCQOJOI-FHLIZLRMSA-N	1	0	350.422	1.806	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2	ZINC000998891321	911810711	/nfs/dbraw/zinc/81/07/11/911810711.db2.gz	LNUNDGMFKXTHLM-YVVXQTMVSA-N	1	0	364.409	1.289	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4c(c3)OCCCO4)[C@H]2C1	ZINC001083104935	912037575	/nfs/dbraw/zinc/03/75/75/912037575.db2.gz	ALQCGHYSQMPZGV-QFBILLFUSA-N	1	0	358.438	1.949	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4c(c3)OCC(=O)N4)[C@H]2C1	ZINC001083106567	912052797	/nfs/dbraw/zinc/05/27/97/912052797.db2.gz	KJEZUPBIHACCFC-DOTOQJQBSA-N	1	0	357.410	1.119	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(-c4cn[nH]c4)cn3)[C@H]2C1	ZINC001083124956	912088837	/nfs/dbraw/zinc/08/88/37/912088837.db2.gz	YCHIKQITUKWZII-ZWKOTPCHSA-N	1	0	353.426	1.573	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(-c4ccccc4)c3)[C@H]2C1	ZINC001083135489	912174614	/nfs/dbraw/zinc/17/46/14/912174614.db2.gz	GTGNHAGPKWFVHC-RBUKOAKNSA-N	1	0	352.438	1.974	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3sccc3-n3cnnn3)[C@@H]2C1	ZINC001084480820	914910291	/nfs/dbraw/zinc/91/02/91/914910291.db2.gz	FFWBUXXNZKYUHH-UKRRQHHQSA-N	1	0	358.471	1.836	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc4c(c3)NC(=O)CO4)[C@@H]2C1	ZINC001084488555	914952360	/nfs/dbraw/zinc/95/23/60/914952360.db2.gz	CAKKYJLHIURJDN-CZUORRHYSA-N	1	0	356.426	1.525	20	30		FDEDRO
C=C(Br)CN1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C1	ZINC001084660904	915945258	/nfs/dbraw/zinc/94/52/58/915945258.db2.gz	YRYAPLJTAMPIPM-RBSFLKMASA-N	1	0	356.308	1.912	20	30		FDEDRO
COc1ccc(CN2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)cc1C#N	ZINC001084830362	917507364	/nfs/dbraw/zinc/50/73/64/917507364.db2.gz	SUZJVVNMPKYVDT-ZHALLVOQSA-N	1	0	368.481	1.551	20	30		FDEDRO
N#Cc1ccc(F)cc1CN1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1	ZINC001084832506	917531157	/nfs/dbraw/zinc/53/11/57/917531157.db2.gz	KAYKRFVVDYINIH-VQIMIIECSA-N	1	0	356.445	1.826	20	30		FDEDRO
C=C[C@@H](C(=O)N1C[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]21)c1ccccc1	ZINC001084846869	917640488	/nfs/dbraw/zinc/64/04/88/917640488.db2.gz	AWLRALLYMKQMQA-GUDVDZBRSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=C[C@@H](C(=O)N1C[C@H]2CC[N@H+](CCn3cncn3)C[C@H]21)c1ccccc1	ZINC001084847414	917642216	/nfs/dbraw/zinc/64/22/16/917642216.db2.gz	UZDXHIQDCZTBNF-GUDVDZBRSA-N	1	0	351.454	1.781	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4occc4C)C[C@@H]32)C1=O	ZINC001084890136	918024120	/nfs/dbraw/zinc/02/41/20/918024120.db2.gz	KMDYEFLIULZXTH-BBWFWOEESA-N	1	0	357.454	1.911	20	30		FDEDRO
S=C(NCC1CCC1)NN=C1CC[NH+](CCN2CCOCC2)CC1	ZINC000731558083	918198020	/nfs/dbraw/zinc/19/80/20/918198020.db2.gz	IZKNZMGHMRVBEL-UHFFFAOYSA-N	1	0	353.536	1.035	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](CCO[C@H]4CC4(F)F)[C@H]3C2)[nH]1	ZINC001084921735	918365500	/nfs/dbraw/zinc/36/55/00/918365500.db2.gz	RFCAUZFNXIPCTA-KCXAZCMYSA-N	1	0	364.396	1.847	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)C4=CCOCC4)C[C@@H]32)C1=O	ZINC001084926924	918404253	/nfs/dbraw/zinc/40/42/53/918404253.db2.gz	XYRCRLXMMZIXIW-SZMVWBNQSA-N	1	0	359.470	1.043	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)Cc4ccoc4)C[C@@H]32)C1=O	ZINC001084927109	918407220	/nfs/dbraw/zinc/40/72/20/918407220.db2.gz	OKGYCWKYDDAGMT-KSZLIROESA-N	1	0	357.454	1.532	20	30		FDEDRO
Cc1nnc(CC(=O)N2CC[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)[C@H]3C2)[nH]1	ZINC001084936739	918511224	/nfs/dbraw/zinc/51/12/24/918511224.db2.gz	IWDXXELUXYQAOQ-MSOLQXFVSA-N	1	0	364.453	1.650	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn([C@H]4CCOC4)nc3C)C[C@@H]21	ZINC001084940389	918564087	/nfs/dbraw/zinc/56/40/87/918564087.db2.gz	ZZJAVVLDUSOQKW-AOIWGVFYSA-N	1	0	356.470	1.713	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN(C(=O)C4CC4)C3)C[C@@H]21	ZINC001084947447	918646034	/nfs/dbraw/zinc/64/60/34/918646034.db2.gz	VYMBYGRGVMYEIS-NEWSRXKRSA-N	1	0	357.498	1.581	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(-c4ccn(C)n4)on3)C[C@@H]21	ZINC001084949013	918673603	/nfs/dbraw/zinc/67/36/03/918673603.db2.gz	QKKXWOXFNWRDDB-PBHICJAKSA-N	1	0	353.426	1.635	20	30		FDEDRO
N#Cc1cc(S(N)(=O)=O)ccc1N1CC[NH+](CCc2ccccc2)CC1	ZINC000731901704	918768832	/nfs/dbraw/zinc/76/88/32/918768832.db2.gz	INBSAJDMEFHOIR-UHFFFAOYSA-N	1	0	370.478	1.570	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)C[C@@H]4CCNC4=O)C[C@@H]32)cc1	ZINC001084956370	918797616	/nfs/dbraw/zinc/79/76/16/918797616.db2.gz	JFEFJQVQFMQYMF-QYZOEREBSA-N	1	0	366.465	1.507	20	30		FDEDRO
C[NH+](C)CCCNC(=S)NN=Cc1cccc(Br)c1O	ZINC000731928014	918846086	/nfs/dbraw/zinc/84/60/86/918846086.db2.gz	AOLAVOGAJHXNFH-UHFFFAOYSA-N	1	0	359.293	1.904	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cnoc3C)[C@H]2C1	ZINC001084961129	918906490	/nfs/dbraw/zinc/90/64/90/918906490.db2.gz	MTVCGICUVUZHHO-NEWSRXKRSA-N	1	0	356.470	1.503	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCNC3=O)C[C@@H]21	ZINC001084964892	918926085	/nfs/dbraw/zinc/92/60/85/918926085.db2.gz	WUTTZCMRMSBBFM-MNEFBYGVSA-N	1	0	366.465	1.507	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3cn4cc(F)ccc4n3)C[C@@H]21	ZINC001085000037	919418045	/nfs/dbraw/zinc/41/80/45/919418045.db2.gz	NFKFGFHQKSNHSF-QAPCUYQASA-N	1	0	354.429	1.962	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)C[C@@H]21	ZINC001085000984	919452052	/nfs/dbraw/zinc/45/20/52/919452052.db2.gz	LUCCJRJDIGHUPG-ZBFHGGJFSA-N	1	0	360.458	1.628	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4c[nH]nc4C)C[C@@H]32)C1=O	ZINC001085002615	919492019	/nfs/dbraw/zinc/49/20/19/919492019.db2.gz	VSIHCIIQCCKQPR-XIRDDKMYSA-N	1	0	357.458	1.041	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N(C)C4CC4)[C@H]3C2)cc1	ZINC001085003427	919522465	/nfs/dbraw/zinc/52/24/65/919522465.db2.gz	MHPGDIDRXFOXEM-XLIONFOSSA-N	1	0	365.477	1.825	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](C[C@H](O)Cn3cccn3)[C@H]2C1	ZINC001085005869	919565583	/nfs/dbraw/zinc/56/55/83/919565583.db2.gz	ODQACEOHNPPKMT-SQNIBIBYSA-N	1	0	360.502	1.769	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CC3CCS(=O)(=O)CC3)[C@H]2C1	ZINC001085006228	919571411	/nfs/dbraw/zinc/57/14/11/919571411.db2.gz	GNNIRWFQVTXXQD-SJORKVTESA-N	1	0	368.543	1.946	20	30		FDEDRO
C[C@@H](CNC(=O)NCCNC(=O)C1N=CC=CC1=O)[N@@H+]1CCCC[C@H]1C	ZINC000732450593	919591961	/nfs/dbraw/zinc/59/19/61/919591961.db2.gz	NZEZOEQILUAHRU-HJPHCXOUSA-N	1	0	363.462	1.075	20	30		FDEDRO
C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC000732463409	919641859	/nfs/dbraw/zinc/64/18/59/919641859.db2.gz	ITYLNEVNXRNXMF-SZGQWAQFSA-N	1	0	363.462	1.075	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCN(CC(F)(F)F)C3)C[C@@H]21	ZINC001085017264	919691791	/nfs/dbraw/zinc/69/17/91/919691791.db2.gz	UYRKPYOMOOQVHM-OAGGEKHMSA-N	1	0	357.420	1.817	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)c4c[nH]c(=O)cn4)C[C@@H]32)cc1	ZINC001085019132	919721489	/nfs/dbraw/zinc/72/14/89/919721489.db2.gz	NDTMMNUGBISGPQ-AEFFLSMTSA-N	1	0	363.421	1.378	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)C4(C(N)=O)CC4)C[C@@H]32)s1	ZINC001085021601	919762952	/nfs/dbraw/zinc/76/29/52/919762952.db2.gz	MGKQBJLNSIVUFY-DOMZBBRYSA-N	1	0	358.467	1.308	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)Cc1ccccc1	ZINC000732700326	919990956	/nfs/dbraw/zinc/99/09/56/919990956.db2.gz	HQRNYEWFMGSRPY-RTBURBONSA-N	1	0	355.486	1.541	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3csc(-c4nc[nH]n4)n3)C[C@@H]21	ZINC001085055378	920181149	/nfs/dbraw/zinc/18/11/49/920181149.db2.gz	FEFKVEGAEJSRMO-OCCSQVGLSA-N	1	0	356.455	1.488	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cnc(OCC4CC4)cn3)C[C@@H]21	ZINC001085073881	920517150	/nfs/dbraw/zinc/51/71/50/920517150.db2.gz	VJAMAAHLBBFUCA-AEFFLSMTSA-N	1	0	354.454	1.825	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(NC(=O)NC)c3)C[C@@H]21	ZINC001085074658	920529972	/nfs/dbraw/zinc/52/99/72/920529972.db2.gz	VTLRJNWBDMXHPP-QAPCUYQASA-N	1	0	354.454	1.998	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1CC[C@H]2CC[N@H+](C[C@@H]3CCOC3)[C@H]2C1	ZINC001085077686	920579684	/nfs/dbraw/zinc/57/96/84/920579684.db2.gz	XCSQOEHRBWISAA-SCTDSRPQSA-N	1	0	369.465	1.667	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C[C@@H]21	ZINC001085090868	920775478	/nfs/dbraw/zinc/77/54/78/920775478.db2.gz	MYYZNLJVRAJSFZ-AOIWGVFYSA-N	1	0	357.498	1.724	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(-n4cnnn4)c3)C[C@@H]21	ZINC001085090781	920827105	/nfs/dbraw/zinc/82/71/05/920827105.db2.gz	GMXNSOSGOFMNBU-QAPCUYQASA-N	1	0	350.426	1.222	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccnc(-n4cncn4)c3)C[C@@H]21	ZINC001085106125	920981296	/nfs/dbraw/zinc/98/12/96/920981296.db2.gz	RRKXHCUQIGOOKQ-WBVHZDCISA-N	1	0	352.442	1.775	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCC(=O)N2)ccc1F	ZINC001085150414	921810077	/nfs/dbraw/zinc/81/00/77/921810077.db2.gz	GEMVQSRGLVCPRF-BRWVUGGUSA-N	1	0	358.417	1.493	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2oc(C)nc2C)C1=O	ZINC001085160177	921888290	/nfs/dbraw/zinc/88/82/90/921888290.db2.gz	WCNZPHUZUZAILD-BZUAXINKSA-N	1	0	360.458	1.709	20	30		FDEDRO
Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000282570602	922179024	/nfs/dbraw/zinc/17/90/24/922179024.db2.gz	VRVDYAIUZZEUGZ-KRWDZBQOSA-N	1	0	366.469	1.902	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@@](C)(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)n1	ZINC001065346465	922245345	/nfs/dbraw/zinc/24/53/45/922245345.db2.gz	WDSRPYQGFARDNI-RZQQEMMASA-N	1	0	370.501	1.726	20	30		FDEDRO
C=CCC1(C(=O)N2CCO[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CCC1	ZINC001065581439	922364520	/nfs/dbraw/zinc/36/45/20/922364520.db2.gz	GMRISZRFXIGVJU-IXDOHACOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1	ZINC001065988223	922514502	/nfs/dbraw/zinc/51/45/02/922514502.db2.gz	YDGQSWUWCHHWHG-IXDOHACOSA-N	1	0	351.491	1.417	20	30		FDEDRO
Cc1cc(N2C[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@@H]3C2)c(C#N)cn1	ZINC001066079630	922550391	/nfs/dbraw/zinc/55/03/91/922550391.db2.gz	HPCYYCCFCYNANE-NRSFXHEJSA-N	1	0	353.470	1.497	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC(=O)N(CCOC)C1	ZINC001085217161	922857575	/nfs/dbraw/zinc/85/75/75/922857575.db2.gz	QBRPRHISUKEPSF-RRFJBIMHSA-N	1	0	357.882	1.251	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1oc(C)nc1C	ZINC001085229818	922983420	/nfs/dbraw/zinc/98/34/20/922983420.db2.gz	LWIZVECBBOFKDW-KURKYZTESA-N	1	0	358.486	1.906	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(S(N)(=O)=O)o1	ZINC001085257920	923241793	/nfs/dbraw/zinc/24/17/93/923241793.db2.gz	GSCHOWVQTBPJIM-GHMZBOCLSA-N	1	0	361.851	1.310	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccn2)CCC1N=Nc1ccc(S(N)(=O)=O)cn1	ZINC000734365870	923263285	/nfs/dbraw/zinc/26/32/85/923263285.db2.gz	WEUMPJOMZRPKCF-ZDUSSCGKSA-N	1	0	374.470	1.434	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2cncc(C)c2)C1=O	ZINC001085286378	923530551	/nfs/dbraw/zinc/53/05/51/923530551.db2.gz	DUWOLCKATZEUKZ-QRVBRYPASA-N	1	0	370.497	1.736	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(OC)nc1C	ZINC001085338027	924019146	/nfs/dbraw/zinc/01/91/46/924019146.db2.gz	JBVILMWJWSNMDK-TVFCKZIOSA-N	1	0	374.485	1.902	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC001085359590	924209134	/nfs/dbraw/zinc/20/91/34/924209134.db2.gz	PGNNAYJGDDMQKG-DODZYUBVSA-N	1	0	356.470	1.804	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C)nc(C)n2)C1=O	ZINC001085362349	924255487	/nfs/dbraw/zinc/25/54/87/924255487.db2.gz	XDCUYLLEZYFSTB-ZACQAIPSSA-N	1	0	371.485	1.511	20	30		FDEDRO
C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1	ZINC000826776962	924325138	/nfs/dbraw/zinc/32/51/38/924325138.db2.gz	CQCWJMKFEYOYMN-RDTXWAMCSA-N	1	0	362.861	1.315	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cncc(OC)n2)cn1	ZINC001085398871	924450093	/nfs/dbraw/zinc/45/00/93/924450093.db2.gz	FMNQKBIFAJWCMT-QZTJIDSGSA-N	1	0	365.437	1.692	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)COC3)[C@@H](n2ccnn2)C1	ZINC001129320818	925034419	/nfs/dbraw/zinc/03/44/19/925034419.db2.gz	BZTFAUKTSBVIFK-MOPGFXCFSA-N	1	0	367.453	1.930	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C)CCOCC2)[C@@H](n2ccnn2)C1	ZINC001129321717	925089346	/nfs/dbraw/zinc/08/93/46/925089346.db2.gz	OPBJYCMWJTWEQX-BBWFWOEESA-N	1	0	361.490	1.791	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCc1cnn(C)c1	ZINC001085864780	925344649	/nfs/dbraw/zinc/34/46/49/925344649.db2.gz	KADBQIVYUXNCCM-FHWLQOOXSA-N	1	0	360.502	1.867	20	30		FDEDRO
CC(=NNCC(F)F)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1	ZINC000740616217	925407405	/nfs/dbraw/zinc/40/74/05/925407405.db2.gz	GQLBCSPWRHZASQ-UHFFFAOYSA-N	1	0	362.446	1.495	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)CC1	ZINC000740736875	925420855	/nfs/dbraw/zinc/42/08/55/925420855.db2.gz	PZUWRYVHAUAZIY-UHFFFAOYSA-N	1	0	367.449	1.553	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CSCN2C(=O)[C@@H](C)CC)CC1	ZINC000740738065	925422004	/nfs/dbraw/zinc/42/20/04/925422004.db2.gz	SNXVHVWBNDOQKC-HOCLYGCPSA-N	1	0	351.516	1.538	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CCOc2ccc3c(C)cc(=O)oc3c2)CC1	ZINC000740876586	925479810	/nfs/dbraw/zinc/47/98/10/925479810.db2.gz	UWFOYWVYTFDCTL-UHFFFAOYSA-N	1	0	368.433	1.942	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1	ZINC000740885390	925485226	/nfs/dbraw/zinc/48/52/26/925485226.db2.gz	SPPCGXQSIQRIHT-RBSFLKMASA-N	1	0	352.479	1.982	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3OCC[C@H]3C(C)C)C2)C1=O	ZINC001086088224	925932282	/nfs/dbraw/zinc/93/22/82/925932282.db2.gz	LLTBFJUEZKYVAP-RZFLPCETSA-N	1	0	363.502	1.319	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)C1	ZINC001086088864	925943701	/nfs/dbraw/zinc/94/37/01/925943701.db2.gz	VQGPJWACMOGGTO-NFFDBFGFSA-N	1	0	360.483	1.519	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCc2ccnn2C)C1	ZINC001086220494	926325863	/nfs/dbraw/zinc/32/58/63/926325863.db2.gz	CNHJGXIOXGLJQI-NBMJBFSESA-N	1	0	360.502	1.818	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NCc2nc(N(C)C)no2)C1	ZINC001086223145	926351942	/nfs/dbraw/zinc/35/19/42/926351942.db2.gz	AWVCHTWBERDLKW-FQLMCAECSA-N	1	0	363.462	1.101	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cc(NC(C)=O)c(OC)c(OC)c2)CC1	ZINC000743490538	926377483	/nfs/dbraw/zinc/37/74/83/926377483.db2.gz	RKQLJXLMZFWMMI-UHFFFAOYSA-N	1	0	373.453	1.880	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1	ZINC000743492698	926379142	/nfs/dbraw/zinc/37/91/42/926379142.db2.gz	ZEHPRUBVUJWYEI-UHFFFAOYSA-N	1	0	355.398	1.548	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C3)cc1	ZINC001006296635	926632765	/nfs/dbraw/zinc/63/27/65/926632765.db2.gz	YGQCYIWRAWYXGP-OBZTUIKSSA-N	1	0	365.477	1.871	20	30		FDEDRO
N#CCOc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1	ZINC001086363248	926830048	/nfs/dbraw/zinc/83/00/48/926830048.db2.gz	JVNJCVZBTLEUHS-MUIFIZLQSA-N	1	0	358.398	1.239	20	30		FDEDRO
C#CCN(CC#CC)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000745502899	927274115	/nfs/dbraw/zinc/27/41/15/927274115.db2.gz	HPMNMKWZNQIVEI-UHFFFAOYSA-N	1	0	366.509	1.862	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CC[N@@H+](C)CCC)CC1	ZINC001066547536	927504737	/nfs/dbraw/zinc/50/47/37/927504737.db2.gz	GSHQXWPJHJRZEB-KURKYZTESA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@@H](O)c2ccccc2F)C1	ZINC001086482670	927533196	/nfs/dbraw/zinc/53/31/96/927533196.db2.gz	QPJNALBOIKIIPE-NAHQNRHBSA-N	1	0	362.445	1.935	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(=O)N2CCCCC2)C1	ZINC001086483338	927539363	/nfs/dbraw/zinc/53/93/63/927539363.db2.gz	XCFKHPJXTRIOSD-ZKXLYKBJSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)CC1	ZINC001066549277	927562546	/nfs/dbraw/zinc/56/25/46/927562546.db2.gz	WRWSDBSVQOPXJM-BBWFWOEESA-N	1	0	351.491	1.415	20	30		FDEDRO
N#CCn1cc(NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cn1	ZINC000746344229	927885307	/nfs/dbraw/zinc/88/53/07/927885307.db2.gz	MQINIJJOTKUKJJ-KRWDZBQOSA-N	1	0	366.425	1.298	20	30		FDEDRO
CC(C)[C@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)[NH+]1CCCCCC1	ZINC000746353889	927899868	/nfs/dbraw/zinc/89/98/68/927899868.db2.gz	MVYIRYLTJHBGRF-INIZCTEOSA-N	1	0	360.462	1.362	20	30		FDEDRO
C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)Nc1cnn(CC#N)c1)c1ccccc1	ZINC000746415225	927961522	/nfs/dbraw/zinc/96/15/22/927961522.db2.gz	SJSDDZISLOMNLK-CQSZACIVSA-N	1	0	368.441	1.591	20	30		FDEDRO
CCOC(=O)C(C)N=Nc1cc(-n2c(C)cnc2C[NH3+])ccc1[N+](=O)[O-]	ZINC001169030968	928229820	/nfs/dbraw/zinc/22/98/20/928229820.db2.gz	RMEDBSODOCXXAT-ODLFYWEKSA-N	1	0	360.374	1.899	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(Cn2cc3c(c(C#N)c2=O)CCC3)CC1	ZINC000766637301	928372185	/nfs/dbraw/zinc/37/21/85/928372185.db2.gz	OYEFDHHHYXXSTR-SFHVURJKSA-N	1	0	369.513	1.268	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](c2cccnc2)C(C)C)[C@@H](n2ccnn2)C1	ZINC001129348545	928928851	/nfs/dbraw/zinc/92/88/51/928928851.db2.gz	SLGTUSWNANASAU-QYZOEREBSA-N	1	0	366.469	1.478	20	30		FDEDRO
C=CCn1c(=O)ccc2c1CC[C@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)C2	ZINC001169851224	928931274	/nfs/dbraw/zinc/93/12/74/928931274.db2.gz	CIOWYYJEWSDQAY-CGZBRXJRSA-N	1	0	364.511	1.837	20	30		FDEDRO
CCCCCCC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3OCC[C@H]3C)CC2=O)C1	ZINC001108573232	928937408	/nfs/dbraw/zinc/93/74/08/928937408.db2.gz	PWOZPQZXOBQWKI-MDZRGWNJSA-N	1	0	365.518	1.783	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1	ZINC000766951548	929010889	/nfs/dbraw/zinc/01/08/89/929010889.db2.gz	HNSFNOUPCRQCCS-NOCIGQNYSA-N	1	0	361.490	1.751	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CCOc2ccc(/C=C/C(=O)OC)cc2)CC1	ZINC000767313537	929225128	/nfs/dbraw/zinc/22/51/28/929225128.db2.gz	QYLAYYFVUBXIAY-RMKNXTFCSA-N	1	0	370.449	1.713	20	30		FDEDRO
CC(=NNc1nc2c(cnn2C)c(=O)[nH]1)c1cccc(OCC[NH+](C)C)c1	ZINC000769808442	929690794	/nfs/dbraw/zinc/69/07/94/929690794.db2.gz	GUVWYKFFURVQPP-UHFFFAOYSA-N	1	0	369.429	1.845	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCNC(C)=O	ZINC001109634509	929954236	/nfs/dbraw/zinc/95/42/36/929954236.db2.gz	OSZOAELZJDEFCH-BDXSIMOUSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](O)Cn2cccn2)CC1	ZINC001109681985	930122256	/nfs/dbraw/zinc/12/22/56/930122256.db2.gz	OQJAVMCHEDGQAN-OWSLCNJRSA-N	1	0	358.486	1.712	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](O)COCCOC)C1	ZINC001109696442	930139178	/nfs/dbraw/zinc/13/91/78/930139178.db2.gz	AZDIJALNSJBRQE-NCOADZHNSA-N	1	0	352.475	1.088	20	30		FDEDRO
C#CC[NH+]1CCC(c2nc(-c3ccc(N4CCOCC4)nc3)no2)CC1	ZINC000770842966	930305763	/nfs/dbraw/zinc/30/57/63/930305763.db2.gz	PPHZQZPFSRNCCH-UHFFFAOYSA-N	1	0	353.426	1.781	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCCOC	ZINC001109771069	930375479	/nfs/dbraw/zinc/37/54/79/930375479.db2.gz	MCPDTTZUPHYCDD-NCOADZHNSA-N	1	0	354.491	1.334	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)NC(=O)NCC)C2	ZINC001109796801	930464212	/nfs/dbraw/zinc/46/42/12/930464212.db2.gz	GEYFOOJHIIFRKG-ILXRZTDVSA-N	1	0	352.479	1.008	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC1CCC1	ZINC001109804080	930493779	/nfs/dbraw/zinc/49/37/79/930493779.db2.gz	BTJLHKQCFRZEKX-BVBHFADKSA-N	1	0	363.502	1.748	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC1CCC1	ZINC001109804081	930494149	/nfs/dbraw/zinc/49/41/49/930494149.db2.gz	BTJLHKQCFRZEKX-LULLPPNCSA-N	1	0	363.502	1.748	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH]c(=O)c1=O)C2	ZINC001109849358	930590225	/nfs/dbraw/zinc/59/02/25/930590225.db2.gz	OOYBNRRIKSJUFA-IKGGRYGDSA-N	1	0	374.485	1.395	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]c(=O)[nH]c(=O)c1OC)C2	ZINC001109972045	930949917	/nfs/dbraw/zinc/94/99/17/930949917.db2.gz	VMHWEEHBLJACQR-RNJOBUHISA-N	1	0	362.430	1.586	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)C2	ZINC001109973544	930951867	/nfs/dbraw/zinc/95/18/67/930951867.db2.gz	KPTFQAOFBKNESY-YCPHGPKFSA-N	1	0	370.457	1.499	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)n1	ZINC001090433769	931140956	/nfs/dbraw/zinc/14/09/56/931140956.db2.gz	YTHCACGGFMDYPG-KZNAEPCWSA-N	1	0	371.485	1.048	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNS(=O)(=O)CCCC)C2	ZINC001110043076	931222123	/nfs/dbraw/zinc/22/21/23/931222123.db2.gz	UWWDMJGRYKPXFV-NCOADZHNSA-N	1	0	371.547	1.782	20	30		FDEDRO
N#Cc1c(F)cccc1N1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1	ZINC001090435813	931285226	/nfs/dbraw/zinc/28/52/26/931285226.db2.gz	WNHOOOOJMCCXIG-SJLPKXTDSA-N	1	0	360.433	1.239	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1csc(-c3nc[nH]n3)n1)C2	ZINC001112544414	931419211	/nfs/dbraw/zinc/41/92/11/931419211.db2.gz	DYSARPZZLSKDOP-UGSOOPFHSA-N	1	0	370.482	1.783	20	30		FDEDRO
CCn1ncc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC#CCOC)C2)c1C	ZINC001112550533	931460179	/nfs/dbraw/zinc/46/01/79/931460179.db2.gz	ASWMECARXZVXJP-PXNSSMCTSA-N	1	0	358.486	1.693	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCc1ncnn1C)C2	ZINC001112555278	931555322	/nfs/dbraw/zinc/55/53/22/931555322.db2.gz	JPJNPCWQGMTBGI-LPHOPBHVSA-N	1	0	361.490	1.516	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C(=O)NC)CCC1)C2	ZINC001112568295	931629240	/nfs/dbraw/zinc/62/92/40/931629240.db2.gz	IJEBNUAATXIHGE-YOEHRIQHSA-N	1	0	353.894	1.874	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1ccccc1F)C2	ZINC001112572766	931670140	/nfs/dbraw/zinc/67/01/40/931670140.db2.gz	PWWCWRZQNHUFKG-UWJYYQICSA-N	1	0	371.456	1.336	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccn1CC)C2	ZINC001112579985	931718266	/nfs/dbraw/zinc/71/82/66/931718266.db2.gz	RIKUHQDEYYJNFD-JXFKEZNVSA-N	1	0	358.486	1.642	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1ccc(C)nc1)C2	ZINC001112579618	931742588	/nfs/dbraw/zinc/74/25/88/931742588.db2.gz	YZOJSIJZKIYIIC-RXVVDRJESA-N	1	0	370.497	1.453	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1COCCN1C(C)=O)C2	ZINC001112581324	931743765	/nfs/dbraw/zinc/74/37/65/931743765.db2.gz	JGVQGEXLTFOBEK-BJLQDIEVSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)CS(C)(=O)=O)C2	ZINC001112587015	931781847	/nfs/dbraw/zinc/78/18/47/931781847.db2.gz	BFDXQADSWNAJOA-BQFCYCMXSA-N	1	0	356.532	1.852	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COc1cccc(C(N)=O)c1)C2	ZINC001112584605	931785971	/nfs/dbraw/zinc/78/59/71/931785971.db2.gz	ABUOFWFSHKPEJS-UWJYYQICSA-N	1	0	369.465	1.406	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(C)C)C1	ZINC001112589227	931801906	/nfs/dbraw/zinc/80/19/06/931801906.db2.gz	PYAYHOXXNWKYTP-BXWFABGCSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cn(CC)nn2)C1	ZINC001112589249	931802857	/nfs/dbraw/zinc/80/28/57/931802857.db2.gz	QPXGVGDZKBDROV-LPHOPBHVSA-N	1	0	361.490	1.609	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1nn(CC)nc1C)C2	ZINC001112592426	931828259	/nfs/dbraw/zinc/82/82/59/931828259.db2.gz	OUGFQJOYZUNWDW-LPHOPBHVSA-N	1	0	361.490	1.641	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O)[NH+]1CCCCC1	ZINC001090440057	931832927	/nfs/dbraw/zinc/83/29/27/931832927.db2.gz	RMHMNKCTNZQMSH-LMMKCTJWSA-N	1	0	371.485	1.129	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1C(=O)Nc3ccccc31)C2	ZINC001112590366	931836474	/nfs/dbraw/zinc/83/64/74/931836474.db2.gz	QZPGNPWVOVOPPF-XPIZARPCSA-N	1	0	351.450	1.964	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)cc1C#N	ZINC000786335005	931891866	/nfs/dbraw/zinc/89/18/66/931891866.db2.gz	UBDKPVHANJUZMG-UHFFFAOYSA-N	1	0	372.469	1.420	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCCCCC1)[C@H]1CCCO1	ZINC000786629605	931979392	/nfs/dbraw/zinc/97/93/92/931979392.db2.gz	SQIJJSJEZYQXPL-OKZBNKHCSA-N	1	0	363.502	1.300	20	30		FDEDRO
N#Cc1cnn2c1[nH]c(COC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)cc2=O	ZINC000786888571	932095236	/nfs/dbraw/zinc/09/52/36/932095236.db2.gz	HOBGDPOHUMZKRG-OAHLLOKOSA-N	1	0	355.398	1.757	20	30		FDEDRO
N#Cc1cc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)cnc1F	ZINC001170073780	932308879	/nfs/dbraw/zinc/30/88/79/932308879.db2.gz	MTZKLYFGEDCXNK-UHFFFAOYSA-N	1	0	371.397	1.795	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cccc(F)c1C#N	ZINC000746701834	932363882	/nfs/dbraw/zinc/36/38/82/932363882.db2.gz	KAIKCMCXRYWGOZ-UHOFOFEASA-N	1	0	367.446	1.570	20	30		FDEDRO
C=CCN(C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)C(C)C	ZINC000787849754	932443263	/nfs/dbraw/zinc/44/32/63/932443263.db2.gz	CVLYGXRGIHSINP-UHFFFAOYSA-N	1	0	372.513	1.738	20	30		FDEDRO
OC[C@@H](N[NH+]=Cc1c(N2CCOCC2)nc2ccccn21)c1ccccc1	ZINC000788456777	932702878	/nfs/dbraw/zinc/70/28/78/932702878.db2.gz	DLOKIJSOMJZTJU-QGZVFWFLSA-N	1	0	365.437	1.828	20	30		FDEDRO
C[NH+]1CCC(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1	ZINC000788489070	932712876	/nfs/dbraw/zinc/71/28/76/932712876.db2.gz	UUDFDEQCAQABME-UHFFFAOYSA-N	1	0	362.499	1.206	20	30		FDEDRO
C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)C1CN(C(=O)OC(C)(C)C)C1	ZINC000788643639	932754501	/nfs/dbraw/zinc/75/45/01/932754501.db2.gz	KQQBEMBQCYUXNV-VVLLMFOMSA-N	1	0	364.446	1.358	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)n1	ZINC000788874376	932845821	/nfs/dbraw/zinc/84/58/21/932845821.db2.gz	LILVMPJUMWXNKP-QZTJIDSGSA-N	1	0	359.474	1.301	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)NCC(C)(C)N2CC[NH+](C)CC2)n1	ZINC000788856019	932859667	/nfs/dbraw/zinc/85/96/67/932859667.db2.gz	WTZDEFCCIIEOIZ-UHFFFAOYSA-N	1	0	360.506	1.074	20	30		FDEDRO
C#CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(NC(C)=O)cn2)C1	ZINC001086591335	933767373	/nfs/dbraw/zinc/76/73/73/933767373.db2.gz	HUSXLPDMDWVUSZ-AZUAARDMSA-N	1	0	362.433	1.871	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2CCCNC2=O)C1	ZINC001086597053	933952126	/nfs/dbraw/zinc/95/21/26/933952126.db2.gz	JQKCMXRFZSZXSG-RBUKOAKNSA-N	1	0	370.497	1.952	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCN(C(C)=O)C2)C1	ZINC001086597917	933981202	/nfs/dbraw/zinc/98/12/02/933981202.db2.gz	GDNKBTKIQSJCBP-QHAWAJNXSA-N	1	0	367.493	1.852	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N[C@@H]1CN(c2snc(Cl)c2C#N)C[C@H]1O	ZINC001090456652	934120690	/nfs/dbraw/zinc/12/06/90/934120690.db2.gz	GSOSVLQHBKXYLE-VXGBXAGGSA-N	1	0	371.894	1.066	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CCC(=O)N2C)C1	ZINC001086602698	934159545	/nfs/dbraw/zinc/15/95/45/934159545.db2.gz	NAKDWDQIHIMQFZ-CEXWTWQISA-N	1	0	353.466	1.605	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C1	ZINC001086602834	934161838	/nfs/dbraw/zinc/16/18/38/934161838.db2.gz	VTCNVSNTJFKLCQ-ZWKOTPCHSA-N	1	0	366.465	1.781	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1	ZINC000793915996	938338125	/nfs/dbraw/zinc/33/81/25/938338125.db2.gz	UFXWLFXQKBJUEM-TXEJJXNPSA-N	1	0	374.323	1.884	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(C(=O)COc2cccc(C#N)c2)CC1	ZINC000794342722	938389695	/nfs/dbraw/zinc/38/96/95/938389695.db2.gz	GEXBXOWZQMFZEI-UHFFFAOYSA-N	1	0	352.394	1.689	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCCCF)C[C@@H]2n2ccnn2)cn1	ZINC001129396847	938402649	/nfs/dbraw/zinc/40/26/49/938402649.db2.gz	ODSJNBMUMMEPJG-MSOLQXFVSA-N	1	0	370.432	1.450	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)Cc2ccccc2C)[C@@H](n2ccnn2)C1	ZINC001129427786	938413947	/nfs/dbraw/zinc/41/39/47/938413947.db2.gz	KOWODOYGJXBEID-MOPGFXCFSA-N	1	0	369.469	1.373	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cccc(N(C)C)c2)[C@@H](n2ccnn2)C1	ZINC001129400347	938415127	/nfs/dbraw/zinc/41/51/27/938415127.db2.gz	JEIQHSZDZPTVEX-MOPGFXCFSA-N	1	0	368.485	1.966	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2CN(CCOC)C[C@@H]2n2ccnn2)CCCCC1	ZINC001129449659	938420032	/nfs/dbraw/zinc/42/00/32/938420032.db2.gz	URRKCPUTNYJELK-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCCn2cccc2)[C@@H](n2ccnn2)C1	ZINC001129453934	938421383	/nfs/dbraw/zinc/42/13/83/938421383.db2.gz	QMWJDTVLOMAPKO-MSOLQXFVSA-N	1	0	356.474	1.868	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2c(C)nsc2C)[C@@H](n2ccnn2)C1	ZINC001129465533	938428428	/nfs/dbraw/zinc/42/84/28/938428428.db2.gz	JZZJNNWVNVSWCP-CABCVRRESA-N	1	0	360.487	1.973	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2n2ccnn2)CCCCC1	ZINC001129476453	938432500	/nfs/dbraw/zinc/43/25/00/938432500.db2.gz	IUBUKAFWSRBGJH-SJORKVTESA-N	1	0	361.465	1.953	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc(C)n(C(C)C)n2)[C@@H](n2ccnn2)C1	ZINC001129490652	938441879	/nfs/dbraw/zinc/44/18/79/938441879.db2.gz	IDKSZADVZUVNBS-MSOLQXFVSA-N	1	0	371.489	1.985	20	30		FDEDRO
O=C(C1CC1)N1C[C@@H]([NH2+]CC#Cc2ccccc2Cl)[C@@H](n2ccnn2)C1	ZINC001129511389	938447202	/nfs/dbraw/zinc/44/72/02/938447202.db2.gz	QSCJNBWVAFXGML-MSOLQXFVSA-N	1	0	369.856	1.735	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)C2=COCCO2)C[C@@H]1n1ccnn1	ZINC001129552972	938452239	/nfs/dbraw/zinc/45/22/39/938452239.db2.gz	KRSOZXWOSIHWIT-CVEARBPZSA-N	1	0	361.446	1.254	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]CCCc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129690233	938486200	/nfs/dbraw/zinc/48/62/00/938486200.db2.gz	GAIJFWNBFCAKIF-JQHSSLGASA-N	1	0	352.442	1.412	20	30		FDEDRO
Cc1ccccc1OCC[NH2+][C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1n1ccnn1	ZINC001129690672	938486487	/nfs/dbraw/zinc/48/64/87/938486487.db2.gz	MNFZIJYLWCYKPN-ZACQAIPSSA-N	1	0	368.441	1.167	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cc(C)n[nH]2)C[C@@H]1n1ccnn1	ZINC001129727882	938495229	/nfs/dbraw/zinc/49/52/29/938495229.db2.gz	LUODFLJBGUFCCL-XKQJLSEDSA-N	1	0	357.462	1.249	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CCc2ccoc2)C[C@@H]1n1ccnn1	ZINC001129732917	938496357	/nfs/dbraw/zinc/49/63/57/938496357.db2.gz	KYYVJDRXBDSUSQ-SJORKVTESA-N	1	0	359.430	1.048	20	30		FDEDRO
CC(C)(C)CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1n1ccnn1	ZINC001129763162	938503380	/nfs/dbraw/zinc/50/33/80/938503380.db2.gz	WYRQOIDDDOCXCQ-CVEARBPZSA-N	1	0	355.446	1.569	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCO2)C[C@@H]1n1ccnn1	ZINC001129741555	938504439	/nfs/dbraw/zinc/50/44/39/938504439.db2.gz	BWZFJLYKVCDVER-SQNIBIBYSA-N	1	0	361.490	1.935	20	30		FDEDRO
CC(C)CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1n1ccnn1	ZINC001129777967	938513658	/nfs/dbraw/zinc/51/36/58/938513658.db2.gz	GQLCDOBIVZGUAQ-SJORKVTESA-N	1	0	355.446	1.569	20	30		FDEDRO
O=C([C@H]1CC1(F)F)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129811617	938519700	/nfs/dbraw/zinc/51/97/00/938519700.db2.gz	KLMMRYKDZLFMSK-ZACQAIPSSA-N	1	0	371.391	1.327	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H]([NH2+]C/C=C\c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129817015	938520946	/nfs/dbraw/zinc/52/09/46/938520946.db2.gz	RIWNVEQNCKFMGX-QPEIEVSYSA-N	1	0	361.449	1.746	20	30		FDEDRO
COCCCCC[NH2+][C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1n1ccnn1	ZINC001129817167	938521078	/nfs/dbraw/zinc/52/10/78/938521078.db2.gz	SMWUSGQEYBUFJA-SJORKVTESA-N	1	0	361.490	1.486	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C2(CCOCC)CCC2)C[C@@H]1n1ccnn1	ZINC001129845606	938525684	/nfs/dbraw/zinc/52/56/84/938525684.db2.gz	QQQXJPNSUXOYSH-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2ccnn2C)C[C@@H]1n1ccnn1	ZINC001129850038	938527056	/nfs/dbraw/zinc/52/70/56/938527056.db2.gz	LOMOWIZNTIMRIZ-UXLLHSPISA-N	1	0	357.462	1.123	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccnn2C2CCC2)C[C@@H]1n1ccnn1	ZINC001129855005	938528345	/nfs/dbraw/zinc/52/83/45/938528345.db2.gz	FDKUHLMLRHJABK-AEFFLSMTSA-N	1	0	369.473	1.821	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3cccnc3n2)C[C@@H]1n1ccnn1	ZINC001129863861	938531939	/nfs/dbraw/zinc/53/19/39/938531939.db2.gz	LAFGDXSWJDRZQW-SJORKVTESA-N	1	0	363.425	1.453	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H]([NH2+]CCC2=CCCCC2)[C@@H](n2ccnn2)C1	ZINC001129838035	938535074	/nfs/dbraw/zinc/53/50/74/938535074.db2.gz	PMCJDGGNJZIAPZ-MOPGFXCFSA-N	1	0	371.485	1.550	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H]([NH2+]CCc2cnn(CC)c2)[C@@H](n2ccnn2)C1	ZINC001129879234	938536531	/nfs/dbraw/zinc/53/65/31/938536531.db2.gz	YFBLGKBIFPWGPR-MSOLQXFVSA-N	1	0	371.489	1.435	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnc(C)nc2OC)C[C@@H]1n1ccnn1	ZINC001129892151	938542977	/nfs/dbraw/zinc/54/29/77/938542977.db2.gz	KIGJHTNIWYVEET-CVEARBPZSA-N	1	0	371.445	1.007	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2ccncn2)C[C@@H]1n1ccnn1	ZINC001129876330	938546698	/nfs/dbraw/zinc/54/66/98/938546698.db2.gz	MBDFRLJSNNIEOE-SJORKVTESA-N	1	0	355.446	1.009	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCOC2)[C@@H](n2ccnn2)C1	ZINC001129876774	938547262	/nfs/dbraw/zinc/54/72/62/938547262.db2.gz	ZDUTWLGBOSKKJI-ZACQAIPSSA-N	1	0	361.490	1.649	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn3cc(C)ccc3n2)C[C@@H]1n1ccnn1	ZINC001129910583	938550300	/nfs/dbraw/zinc/55/03/00/938550300.db2.gz	ZMNGPLVUIXLEBG-WBVHZDCISA-N	1	0	365.441	1.466	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccccc2OCC=C)C[C@@H]1n1ccnn1	ZINC001129912349	938551246	/nfs/dbraw/zinc/55/12/46/938551246.db2.gz	ADPIODNOYXVYHU-MSOLQXFVSA-N	1	0	365.437	1.522	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(C)nc3sccn32)C[C@@H]1n1ccnn1	ZINC001129914737	938552657	/nfs/dbraw/zinc/55/26/57/938552657.db2.gz	FMIABAWIDTXDGB-KGLIPLIRSA-N	1	0	371.470	1.527	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnoc2-c2ccco2)C[C@@H]1n1ccnn1	ZINC001129915026	938553007	/nfs/dbraw/zinc/55/30/07/938553007.db2.gz	UVGMDEXWJNCLPD-CABCVRRESA-N	1	0	368.397	1.758	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3nccn3C2)C[C@@H]1n1ccnn1	ZINC001129917066	938553858	/nfs/dbraw/zinc/55/38/58/938553858.db2.gz	KECZODZKPREDFW-ZACQAIPSSA-N	1	0	369.473	1.045	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cncc3C2)C[C@@H]1n1ccnn1	ZINC001129917614	938554466	/nfs/dbraw/zinc/55/44/66/938554466.db2.gz	YPLNLNDEPRYQQD-JQHSSLGASA-N	1	0	369.473	1.045	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2C3CC4CC(C3)CC2C4)C[C@@H]1n1ccnn1	ZINC001129894496	938555768	/nfs/dbraw/zinc/55/57/68/938555768.db2.gz	HWRAEDYNGPQKFA-BAQDPJJQSA-N	1	0	367.497	1.715	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n2ccnn2)C1	ZINC001129894882	938556015	/nfs/dbraw/zinc/55/60/15/938556015.db2.gz	WJUQYVPMJHTTLQ-DURLZJIISA-N	1	0	360.849	1.673	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2nc(CC)c[nH]2)C[C@@H]1n1ccnn1	ZINC001129898327	938558587	/nfs/dbraw/zinc/55/85/87/938558587.db2.gz	QMGYEPVLHAGGMB-CVEARBPZSA-N	1	0	357.462	1.114	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3nc(C)oc3c2)C[C@@H]1n1ccnn1	ZINC001129899670	938559457	/nfs/dbraw/zinc/55/94/57/938559457.db2.gz	FPLHYFRXBQUZEY-SJORKVTESA-N	1	0	364.409	1.406	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)n2ccnc2)C[C@@H]1n1ccnn1	ZINC001129902653	938561706	/nfs/dbraw/zinc/56/17/06/938561706.db2.gz	WWOQDCMRMDXKEA-KURKYZTESA-N	1	0	371.489	1.680	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cn2cncc2C)C[C@@H]1n1ccnn1	ZINC001129932063	938562327	/nfs/dbraw/zinc/56/23/27/938562327.db2.gz	LAHCNMUODRMMQX-MSOLQXFVSA-N	1	0	371.489	1.571	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccnn2C)C[C@@H]1n1ccnn1	ZINC001129939468	938565388	/nfs/dbraw/zinc/56/53/88/938565388.db2.gz	FQBVVCGLZLXUQU-KONPQCLYSA-N	1	0	369.473	1.123	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC(C)(C)CO2)C[C@@H]1n1ccnn1	ZINC001129939542	938565478	/nfs/dbraw/zinc/56/54/78/938565478.db2.gz	JHRAIIDKRSQUQF-BBWFWOEESA-N	1	0	359.474	1.238	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cc(C)cc(C)n2)C[C@@H]1n1ccnn1	ZINC001129920942	938568287	/nfs/dbraw/zinc/56/82/87/938568287.db2.gz	HEMOANASXOFBRM-MSOLQXFVSA-N	1	0	370.457	1.148	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2CC)C[C@@H]1n1ccnn1	ZINC001129921284	938568559	/nfs/dbraw/zinc/56/85/59/938568559.db2.gz	ZOZBMGHAKIJNTO-LESCRADOSA-N	1	0	371.489	1.584	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3cc(F)ccc3[nH]2)C[C@@H]1n1ccnn1	ZINC001129952510	938575508	/nfs/dbraw/zinc/57/55/08/938575508.db2.gz	YMAUKBVLTUMCEG-MSOLQXFVSA-N	1	0	366.400	1.577	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2C)C[C@@H]1n1ccnn1	ZINC001129952358	938575652	/nfs/dbraw/zinc/57/56/52/938575652.db2.gz	QFSIDGKPCVXNFC-SJORKVTESA-N	1	0	359.478	1.935	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n3ccnn3)C2)cc1	ZINC001129954653	938576638	/nfs/dbraw/zinc/57/66/38/938576638.db2.gz	YKIIXSLRCCWMAA-NEVKYFNUSA-N	1	0	355.829	1.667	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)NC[C@@]1(COC)CCCN1C(=O)OC(C)(C)C	ZINC000804788543	938581394	/nfs/dbraw/zinc/58/13/94/938581394.db2.gz	ORHOYZQZIWBEGB-GOSISDBHSA-N	1	0	355.479	1.637	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)COCC(F)F)C[C@@H]1n1ccnn1	ZINC001129947615	938582303	/nfs/dbraw/zinc/58/23/03/938582303.db2.gz	JEEUFVCGKZZFQF-MCIONIFRSA-N	1	0	357.405	1.256	20	30		FDEDRO
O=C(CCCF)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129969399	938586768	/nfs/dbraw/zinc/58/67/68/938586768.db2.gz	QVGURWYBNXUUEA-MSOLQXFVSA-N	1	0	355.417	1.421	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CC2CC(C)(C)C2)C[C@@H]1n1ccnn1	ZINC001129972739	938591545	/nfs/dbraw/zinc/59/15/45/938591545.db2.gz	LHWXVNYAISKNEM-SJORKVTESA-N	1	0	359.474	1.096	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](CCC)c2ccccn2)C[C@@H]1n1ccnn1	ZINC001129982415	938597118	/nfs/dbraw/zinc/59/71/18/938597118.db2.gz	FTCXOVQOLHZYSM-JQHSSLGASA-N	1	0	354.458	1.785	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H]([NH2+]CCOCC(C)C)[C@@H](n2ccnn2)C1	ZINC001129976169	938600417	/nfs/dbraw/zinc/60/04/17/938600417.db2.gz	GQOYIOIJSQURPR-KURKYZTESA-N	1	0	363.506	1.895	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2cccc(F)c2)C[C@@H]1n1ccnn1	ZINC001130002743	938609231	/nfs/dbraw/zinc/60/92/31/938609231.db2.gz	PYKURJJMCIXWKR-IPELMVKDSA-N	1	0	369.444	1.976	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCn3c(C(C)C)nnc3[C@H]2C)CC1	ZINC000804892770	938610747	/nfs/dbraw/zinc/61/07/47/938610747.db2.gz	XNMMPTSIYFGVQS-CQSZACIVSA-N	1	0	374.489	1.071	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](c3ccccn3)C2)CC1	ZINC000804894827	938610940	/nfs/dbraw/zinc/61/09/40/938610940.db2.gz	AUXFJYDQRWTWMF-MRXNPFEDSA-N	1	0	356.470	1.554	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCCc2c(C)noc2C)CC1	ZINC000804896159	938611860	/nfs/dbraw/zinc/61/18/60/938611860.db2.gz	IDARRWDKHXGGPU-UHFFFAOYSA-N	1	0	362.474	1.497	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3cc[nH]c3c2)C[C@@H]1n1ccnn1	ZINC001130020526	938619468	/nfs/dbraw/zinc/61/94/68/938619468.db2.gz	KWXMFVHQIOMBMZ-MSOLQXFVSA-N	1	0	350.426	1.991	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnc3ccccc3c2)C[C@@H]1n1ccnn1	ZINC001130020649	938619544	/nfs/dbraw/zinc/61/95/44/938619544.db2.gz	PYHUPVOEKWTSFN-MOPGFXCFSA-N	1	0	360.421	1.505	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H]([NH2+]CCn2cccn2)[C@@H](n2ccnn2)C1	ZINC001130022813	938620988	/nfs/dbraw/zinc/62/09/88/938620988.db2.gz	NHXSHQKDMKIVQZ-CVEARBPZSA-N	1	0	357.462	1.119	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ocnc2C2CC2)C[C@@H]1n1ccnn1	ZINC001130005800	938622993	/nfs/dbraw/zinc/62/29/93/938622993.db2.gz	HOASMHODRJXKKG-CABCVRRESA-N	1	0	356.430	1.765	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnn(CCC)c2)C[C@@H]1n1ccnn1	ZINC001130024549	938628614	/nfs/dbraw/zinc/62/86/14/938628614.db2.gz	WGRUWBHCKSIBCM-NXHRZFHOSA-N	1	0	371.489	1.895	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CC[C@@H](C)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130028131	938630176	/nfs/dbraw/zinc/63/01/76/938630176.db2.gz	IQOQGJRHUWZSKD-QRQLOZEOSA-N	1	0	351.454	1.837	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001130034056	938634616	/nfs/dbraw/zinc/63/46/16/938634616.db2.gz	JMVSCBGHDRSTCR-NMLBUPMWSA-N	1	0	363.465	1.755	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2c(C)n[nH]c2C)C[C@@H]1n1ccnn1	ZINC001130043857	938642707	/nfs/dbraw/zinc/64/27/07/938642707.db2.gz	DEFUEZDLGWAWQO-XKQJLSEDSA-N	1	0	371.489	1.729	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2ccccc2F)C[C@@H]1n1ccnn1	ZINC001130043919	938643086	/nfs/dbraw/zinc/64/30/86/938643086.db2.gz	GZALESZRIRKGDQ-QGTPRVQTSA-N	1	0	355.417	1.586	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCN(C)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130046731	938645940	/nfs/dbraw/zinc/64/59/40/938645940.db2.gz	PUBGLBQLGVVFKI-MOPGFXCFSA-N	1	0	366.469	1.169	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2coc(COC)n2)C[C@@H]1n1ccnn1	ZINC001130062753	938651003	/nfs/dbraw/zinc/65/10/03/938651003.db2.gz	VUBHJRVJEDTVOC-HIFRSBDPSA-N	1	0	360.418	1.034	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2C2CC2)C[C@@H]1n1ccnn1	ZINC001130066456	938654922	/nfs/dbraw/zinc/65/49/22/938654922.db2.gz	AELBGOZQIZNKNH-XKQJLSEDSA-N	1	0	369.473	1.889	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc3scnc3c2)C[C@@H]1n1ccnn1	ZINC001130066909	938655521	/nfs/dbraw/zinc/65/55/21/938655521.db2.gz	OWGIQEGKTMKVJK-CVEARBPZSA-N	1	0	366.450	1.566	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2csc(Cl)n2)C[C@@H]1n1ccnn1	ZINC001130077463	938670652	/nfs/dbraw/zinc/67/06/52/938670652.db2.gz	JUBUOILNDHLRCX-PWSUYJOCSA-N	1	0	352.851	1.619	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cccn2)C[C@@H]1n1ccnn1	ZINC001130077443	938670746	/nfs/dbraw/zinc/67/07/46/938670746.db2.gz	JBAQUCWZLOJJLS-BBWFWOEESA-N	1	0	357.462	1.434	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3ccccc3n2)C[C@@H]1n1ccnn1	ZINC001130099935	938682478	/nfs/dbraw/zinc/68/24/78/938682478.db2.gz	QULPLEBQWZCZKR-MOPGFXCFSA-N	1	0	360.421	1.505	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2cccc(OC)c2)C[C@@H]1n1ccnn1	ZINC001130111884	938690571	/nfs/dbraw/zinc/69/05/71/938690571.db2.gz	LVLXTXFQKVAQSJ-MSOLQXFVSA-N	1	0	355.442	1.447	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCOCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130128013	938697946	/nfs/dbraw/zinc/69/79/46/938697946.db2.gz	UVVPFEJHKWBPFU-MSOLQXFVSA-N	1	0	355.442	1.413	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2ccccc2F)C[C@@H]1n1ccnn1	ZINC001130118795	938701706	/nfs/dbraw/zinc/70/17/06/938701706.db2.gz	NUNZOAMPKOALRI-MSOLQXFVSA-N	1	0	357.433	1.968	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3c2cccc3Cl)C[C@@H]1n1ccnn1	ZINC001130146053	938706478	/nfs/dbraw/zinc/70/64/78/938706478.db2.gz	IYIVXRLZODEULD-NXHRZFHOSA-N	1	0	369.856	1.636	20	30		FDEDRO
CC[C@@H](F)C[NH2+][C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130133968	938708575	/nfs/dbraw/zinc/70/85/75/938708575.db2.gz	LRBABSUHWDFTEX-QRVBRYPASA-N	1	0	369.444	1.810	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCCOCC)C[C@@H]1n1ccnn1	ZINC001130134049	938708797	/nfs/dbraw/zinc/70/87/97/938708797.db2.gz	PVDFKNYZMDZFNL-ZACQAIPSSA-N	1	0	365.478	1.027	20	30		FDEDRO
COC[C@H](C)[NH2+][C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130134072	938708843	/nfs/dbraw/zinc/70/88/43/938708843.db2.gz	QZWGYNCSVNPHFJ-UHOSZYNNSA-N	1	0	367.453	1.096	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CC(C2CC2)C2CC2)C[C@@H]1n1ccnn1	ZINC001130143084	938714225	/nfs/dbraw/zinc/71/42/25/938714225.db2.gz	NTOYBLQGUUHTEB-MOPGFXCFSA-N	1	0	371.485	1.096	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001130151245	938715781	/nfs/dbraw/zinc/71/57/81/938715781.db2.gz	KURZQUPDGLNLNY-NXHRZFHOSA-N	1	0	355.442	1.411	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2cncc(F)c2)C[C@@H]1n1ccnn1	ZINC001130155432	938718327	/nfs/dbraw/zinc/71/83/27/938718327.db2.gz	GQAFZMLTANFLKO-SJORKVTESA-N	1	0	358.421	1.363	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2ccoc2C(C)C)C[C@@H]1n1ccnn1	ZINC001130159032	938720356	/nfs/dbraw/zinc/72/03/56/938720356.db2.gz	YREAKCHRDJAKPT-SJORKVTESA-N	1	0	371.441	1.300	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCOC)[nH]1	ZINC001130175257	938723884	/nfs/dbraw/zinc/72/38/84/938723884.db2.gz	GHNXBWGRMXEXSL-ILXRZTDVSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccccc2F)[nH]1	ZINC001130177457	938724999	/nfs/dbraw/zinc/72/49/99/938724999.db2.gz	BBJRORQVMNIJRL-ZFWWWQNUSA-N	1	0	359.405	1.522	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2cccs2)[nH]1	ZINC001130177613	938725203	/nfs/dbraw/zinc/72/52/03/938725203.db2.gz	KQHYCYLVKNTMON-KBPBESRZSA-N	1	0	361.471	1.373	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C(C)C)[nH]1	ZINC001130190478	938735413	/nfs/dbraw/zinc/73/54/13/938735413.db2.gz	AFBDBXDBHDBPDI-KKUMJFAQSA-N	1	0	365.478	1.273	20	30		FDEDRO
C=CCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C[C@@H](CC)OC)[nH]1	ZINC001130193399	938738062	/nfs/dbraw/zinc/73/80/62/938738062.db2.gz	VYYOGJQEAUIDIV-ILXRZTDVSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCc2ccoc2)[nH]1	ZINC001130198358	938740315	/nfs/dbraw/zinc/74/03/15/938740315.db2.gz	HUQHDPVTDNPZTG-GJZGRUSLSA-N	1	0	359.430	1.295	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC(C)(C)C2CC2)n1	ZINC001130207835	938746863	/nfs/dbraw/zinc/74/68/63/938746863.db2.gz	RTEOYGYEIXVRBJ-GJZGRUSLSA-N	1	0	359.474	1.343	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2sccc2F)n1	ZINC001130207677	938747042	/nfs/dbraw/zinc/74/70/42/938747042.db2.gz	LZEYWMPMETWDPL-JQWIXIFHSA-N	1	0	363.418	1.031	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccoc2Cl)n1	ZINC001130210081	938748032	/nfs/dbraw/zinc/74/80/32/938748032.db2.gz	VTIVFJZTRNOHHW-JQWIXIFHSA-N	1	0	363.805	1.076	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@]2(C)CC=CCC2)n1	ZINC001130213271	938750300	/nfs/dbraw/zinc/75/03/00/938750300.db2.gz	XDCCWDHDEYCPIG-DOXZYTNZSA-N	1	0	357.458	1.263	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](CC)CC(F)F)n1	ZINC001130216001	938752287	/nfs/dbraw/zinc/75/22/87/938752287.db2.gz	LYPJTTJBVZHCPQ-AVGNSLFASA-N	1	0	369.416	1.198	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCC(F)(F)C2)[nH]1	ZINC001130216127	938752671	/nfs/dbraw/zinc/75/26/71/938752671.db2.gz	NGFGSVPAANJBMS-AGIUHOORSA-N	1	0	369.416	1.504	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H]2CC=CCC2)[nH]1	ZINC001130230441	938764296	/nfs/dbraw/zinc/76/42/96/938764296.db2.gz	WFKLFBNGEGOPQK-JYJNAYRXSA-N	1	0	359.474	1.815	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(CF)CC2)n1	ZINC001130234672	938765857	/nfs/dbraw/zinc/76/58/57/938765857.db2.gz	HIWUDTYVMUQGFR-RYUDHWBXSA-N	1	0	371.844	1.385	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)[nH]1	ZINC001130234890	938766180	/nfs/dbraw/zinc/76/61/80/938766180.db2.gz	NUDYNBUFWSABLS-OTJKEOIZSA-N	1	0	359.474	1.505	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2C2CC2)[nH]1	ZINC001130242025	938769275	/nfs/dbraw/zinc/76/92/75/938769275.db2.gz	ABVSKLOFLPSTLM-JONQDZQNSA-N	1	0	359.474	1.505	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCc2ccccc2)[nH]1	ZINC001130247110	938772091	/nfs/dbraw/zinc/77/20/91/938772091.db2.gz	VJDFVWYKUSPBSY-IRXDYDNUSA-N	1	0	369.469	1.702	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCC)[nH]1	ZINC001130251097	938774337	/nfs/dbraw/zinc/77/43/37/938774337.db2.gz	AXUVQMNGAUQEHJ-KKUMJFAQSA-N	1	0	365.478	1.274	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC2CCCC2)CC1	ZINC001130281219	938779226	/nfs/dbraw/zinc/77/92/26/938779226.db2.gz	DWGCLXFVGSGJNK-YJLNNSPDSA-N	1	0	360.502	1.812	20	30		FDEDRO
C=C(C)CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CSC)CC1	ZINC001130269343	938783962	/nfs/dbraw/zinc/78/39/62/938783962.db2.gz	LDWJZDBBQBQPKA-QAPCUYQASA-N	1	0	353.532	1.791	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2ccco2)CC1	ZINC001130269363	938784011	/nfs/dbraw/zinc/78/40/11/938784011.db2.gz	MFXRQZDRJPCRDX-XLIONFOSSA-N	1	0	359.470	1.874	20	30		FDEDRO
C=C(C)CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COCC)CC1	ZINC001130271553	938785382	/nfs/dbraw/zinc/78/53/82/938785382.db2.gz	GHQLMNOGGGDJHN-APWZRJJASA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)OC)CC1	ZINC001130276510	938787249	/nfs/dbraw/zinc/78/72/49/938787249.db2.gz	CWALCZHQBHUOQY-LESCRADOSA-N	1	0	351.491	1.463	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COC(C)(C)C)CC1	ZINC001130285352	938790214	/nfs/dbraw/zinc/79/02/14/938790214.db2.gz	FLHYUSCGRCUMOD-APWZRJJASA-N	1	0	363.502	1.300	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(C)(C)CC(F)F)CC1	ZINC001130290579	938795090	/nfs/dbraw/zinc/79/50/90/938795090.db2.gz	FNBBPWIZVBTKBH-PBHICJAKSA-N	1	0	369.456	1.776	20	30		FDEDRO
COC[C@@H](C)[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C#CC(C)C)CC1	ZINC001130290546	938795132	/nfs/dbraw/zinc/79/51/32/938795132.db2.gz	CLFNRFYSBDHQQP-MDYRTPRTSA-N	1	0	363.502	1.156	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2(COC)CC2)CC1	ZINC001130293094	938796632	/nfs/dbraw/zinc/79/66/32/938796632.db2.gz	LMMIQSUTKMXIAK-AEFFLSMTSA-N	1	0	363.502	1.465	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)CC(F)F)CC1	ZINC001130293350	938797046	/nfs/dbraw/zinc/79/70/46/938797046.db2.gz	VKFRLFJMJAVYPX-QEORTHHSSA-N	1	0	355.429	1.386	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@@H](C)OC)CC1	ZINC001130295399	938797449	/nfs/dbraw/zinc/79/74/49/938797449.db2.gz	ABLDIQQBBMMIRI-KYJSFNMBSA-N	1	0	365.518	1.709	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](CCC)OCC)CC1	ZINC001130295564	938797732	/nfs/dbraw/zinc/79/77/32/938797732.db2.gz	IBNZZCPXZZDSCB-AOIWGVFYSA-N	1	0	363.502	1.300	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2(CCC=C)CC2)CC1	ZINC001130299120	938799518	/nfs/dbraw/zinc/79/95/18/938799518.db2.gz	XYCMPTOVAMGQLV-MJGOQNOKSA-N	1	0	357.498	1.841	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC2CC2)CC1	ZINC001130307076	938804759	/nfs/dbraw/zinc/80/47/59/938804759.db2.gz	HXFIVGPNJSPKCD-XLIONFOSSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC2CC2)CC1	ZINC001130313251	938807914	/nfs/dbraw/zinc/80/79/14/938807914.db2.gz	QWXPZLJWAZCYQE-BJZITVGISA-N	1	0	363.502	1.463	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1ccncc1	ZINC000805814186	938831466	/nfs/dbraw/zinc/83/14/66/938831466.db2.gz	METQXLVRBQQIQZ-ROUUACIJSA-N	1	0	356.470	1.902	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cnccc2C)C[C@H]1c1cn(C)cn1	ZINC001130546606	938901612	/nfs/dbraw/zinc/90/16/12/938901612.db2.gz	KHNPKMLGNHKMQC-PKOBYXMFSA-N	1	0	369.469	1.524	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cncnc2)C[C@H]1c1cn(C)cn1	ZINC001130574460	939874559	/nfs/dbraw/zinc/87/45/59/939874559.db2.gz	WTLJKINNRATVIN-HHXXYDBFSA-N	1	0	368.485	1.692	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cncc(F)c2)C1	ZINC001130578707	939891659	/nfs/dbraw/zinc/89/16/59/939891659.db2.gz	ZUAURZGLLHZOSV-PKOBYXMFSA-N	1	0	369.444	1.842	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccn(C(C)(C)C)n2)C[C@H]1c1cn(C)cn1	ZINC001130600451	939895201	/nfs/dbraw/zinc/89/52/01/939895201.db2.gz	FQKBRKOAMJQCGE-MAUKXSAKSA-N	1	0	368.485	1.593	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCOCC(F)F)C[C@H]1c1cn(C)cn1	ZINC001130592858	939899863	/nfs/dbraw/zinc/89/98/63/939899863.db2.gz	IGYLSQAPPUKNGR-DZGCQCFKSA-N	1	0	356.417	1.552	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCC(C)C)C1	ZINC001130593174	939900331	/nfs/dbraw/zinc/90/03/31/939900331.db2.gz	TVBGMNHXWKNOJT-JENIJYKNSA-N	1	0	360.502	1.779	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2cnccc2C)C[C@H]1c1cn(C)cn1	ZINC001130610323	939907625	/nfs/dbraw/zinc/90/76/25/939907625.db2.gz	IPYSXHLGYFNWGD-PKOBYXMFSA-N	1	0	351.454	1.274	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cncc(COC)c2)C[C@H]1c1cn(C)cn1	ZINC001130610922	939908146	/nfs/dbraw/zinc/90/81/46/939908146.db2.gz	VIZNVISPBDJONJ-PKOBYXMFSA-N	1	0	367.453	1.183	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1c1cn(C)cn1	ZINC001130611144	939908653	/nfs/dbraw/zinc/90/86/53/939908653.db2.gz	ZVEPFFOZYLRKLH-ONIAQPFYSA-N	1	0	362.474	1.074	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)nc2)C[C@H]1c1cn(C)cn1	ZINC001130622078	939920414	/nfs/dbraw/zinc/92/04/14/939920414.db2.gz	ORTSLVAKBXKNEB-FUHWJXTLSA-N	1	0	366.469	1.102	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(CC)[nH]c(=O)c2)C[C@H]1c1cn(C)cn1	ZINC001130628484	939921266	/nfs/dbraw/zinc/92/12/66/939921266.db2.gz	TWIIKYBXUKMSJS-FUHWJXTLSA-N	1	0	367.453	1.304	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(=O)[nH]c(CC)c2)C[C@H]1c1cn(C)cn1	ZINC001130628365	939921294	/nfs/dbraw/zinc/92/12/94/939921294.db2.gz	NPXHCZMTLVNGIO-FUHWJXTLSA-N	1	0	367.453	1.304	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@H]1c1cn(C)cn1	ZINC001130630007	939934532	/nfs/dbraw/zinc/93/45/32/939934532.db2.gz	AZPXJOWMOQVIBD-BEIYGRMHSA-N	1	0	356.470	1.143	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccn(C(C)C)n2)C[C@H]1c1cn(C)cn1	ZINC001130630285	939934843	/nfs/dbraw/zinc/93/48/43/939934843.db2.gz	KKVFLXRRIJTSMD-PKOBYXMFSA-N	1	0	368.485	1.348	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2cnn(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130635331	939937701	/nfs/dbraw/zinc/93/77/01/939937701.db2.gz	VATJVSDGFBLNFG-VDZJLULYSA-N	1	0	368.485	1.255	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCn2ccnc2)C[C@H]1c1cn(C)cn1	ZINC001130637948	939940296	/nfs/dbraw/zinc/94/02/96/939940296.db2.gz	SULZWGWECRHFAV-FUHWJXTLSA-N	1	0	356.474	1.557	20	30		FDEDRO
C#CCC(CC#C)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1	ZINC000806503037	939947107	/nfs/dbraw/zinc/94/71/07/939947107.db2.gz	QDNSJLXVWAHEFS-UHFFFAOYSA-N	1	0	351.450	1.985	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@@H](CC)OC)C1	ZINC001130644412	939952661	/nfs/dbraw/zinc/95/26/61/939952661.db2.gz	QVTQTAGHMFYYAF-ZIFCJYIRSA-N	1	0	360.502	1.923	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2cccnc2)C[C@H]1c1cn(C)cn1	ZINC001130672164	939971149	/nfs/dbraw/zinc/97/11/49/939971149.db2.gz	JZARWDKTGGIDCB-HHXXYDBFSA-N	1	0	369.469	1.743	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1c1cn(C)cn1	ZINC001130675340	939973384	/nfs/dbraw/zinc/97/33/84/939973384.db2.gz	RULVMVCLEUSHRC-MUQADHOPSA-N	1	0	373.501	1.172	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCn2nc(C)cc2C)C[C@H]1c1cn(C)cn1	ZINC001130685285	939975281	/nfs/dbraw/zinc/97/52/81/939975281.db2.gz	MKTBIEWPIDPSDW-PKOBYXMFSA-N	1	0	370.501	1.784	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnc(C)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130692702	939981696	/nfs/dbraw/zinc/98/16/96/939981696.db2.gz	ZMCAKCOVUSHSFM-FUHWJXTLSA-N	1	0	352.442	1.048	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cccc(OC)n2)C[C@H]1c1cn(C)cn1	ZINC001130704188	939984772	/nfs/dbraw/zinc/98/47/72/939984772.db2.gz	IGQVODSJRCBROF-MAUKXSAKSA-N	1	0	369.469	1.988	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cn(C(C)C)nn2)C[C@H]1c1cn(C)cn1	ZINC001130704101	939984807	/nfs/dbraw/zinc/98/48/07/939984807.db2.gz	DMCXCHQHQGVUKI-DOTOQJQBSA-N	1	0	371.489	1.757	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130698899	939993109	/nfs/dbraw/zinc/99/31/09/939993109.db2.gz	WGOJEOJVSYPQFG-HLLBOEOZSA-N	1	0	356.474	1.625	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCCOC)C2)cn1	ZINC001130714777	940006760	/nfs/dbraw/zinc/00/67/60/940006760.db2.gz	JLBUNRRYAVSHNR-PKOBYXMFSA-N	1	0	367.453	1.031	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COc2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130717393	940008362	/nfs/dbraw/zinc/00/83/62/940008362.db2.gz	JKKDYKXDRZNVAB-PKOBYXMFSA-N	1	0	352.438	1.406	20	30		FDEDRO
Cn1c(C=NNC(=S)NCCC[NH+](C)C)nc2ccc(Cl)cc21	ZINC000763365387	940025194	/nfs/dbraw/zinc/02/51/94/940025194.db2.gz	ZNOIJACMLZNEJN-UHFFFAOYSA-N	1	0	352.895	1.976	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(F)cc(F)c2)C[C@H]1c1cn(C)cn1	ZINC001130723554	940028428	/nfs/dbraw/zinc/02/84/28/940028428.db2.gz	QTXJSNGLYVUSJU-FUHWJXTLSA-N	1	0	358.392	1.919	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCn2cc(C)cn2)C[C@H]1c1cn(C)cn1	ZINC001130734293	940034750	/nfs/dbraw/zinc/03/47/50/940034750.db2.gz	NJJOFYXHGWUINF-FUHWJXTLSA-N	1	0	356.474	1.475	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2csc(CC)n2)C[C@H]1c1cn(C)cn1	ZINC001130736736	940037891	/nfs/dbraw/zinc/03/78/91/940037891.db2.gz	LYPPPMCBENXBCQ-DOTOQJQBSA-N	1	0	371.510	1.589	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2COC(=O)NCC)CC1	ZINC000806746480	940044295	/nfs/dbraw/zinc/04/42/95/940044295.db2.gz	GRKPLCAXNANOTI-MRXNPFEDSA-N	1	0	352.479	1.947	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c3ncccc23)C[C@H]1c1cn(C)cn1	ZINC001130731742	940045203	/nfs/dbraw/zinc/04/52/03/940045203.db2.gz	NSIHAVBECHLMNR-FUHWJXTLSA-N	1	0	362.437	1.518	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1CCCO1	ZINC000806788977	940050298	/nfs/dbraw/zinc/05/02/98/940050298.db2.gz	ZZSFNGIBFCLCSQ-OKZBNKHCSA-N	1	0	361.486	1.197	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C=Cc3ccco3)n2)O1	ZINC001130746284	940050939	/nfs/dbraw/zinc/05/09/39/940050939.db2.gz	AGJAHQSSZFRCOB-NEFCLYRVSA-N	1	0	355.398	1.170	20	30		FDEDRO
C#Cc1cncc(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)c1	ZINC000806793830	940053878	/nfs/dbraw/zinc/05/38/78/940053878.db2.gz	UOZSCUXIUWEWHO-UHFFFAOYSA-N	1	0	364.453	1.185	20	30		FDEDRO
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)c1	ZINC000806806262	940059760	/nfs/dbraw/zinc/05/97/60/940059760.db2.gz	ANECWSIBVSHLTQ-QGZVFWFLSA-N	1	0	374.485	1.966	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCCOC)n2)O1	ZINC001130767205	940100894	/nfs/dbraw/zinc/10/08/94/940100894.db2.gz	CKMNDRQURNTTHU-UONOGXRCSA-N	1	0	351.451	1.233	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H](C)OC)n2)O1	ZINC001130769589	940107030	/nfs/dbraw/zinc/10/70/30/940107030.db2.gz	KVVSRLRVZFVJTN-QLFBSQMISA-N	1	0	365.478	1.622	20	30		FDEDRO
CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C#N)c[nH]3)n2)O1	ZINC001130770245	940109099	/nfs/dbraw/zinc/10/90/99/940109099.db2.gz	YQYPZHJYMOBVPE-DZGCQCFKSA-N	1	0	371.445	1.544	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)CSC)n2)O1	ZINC001130772343	940111517	/nfs/dbraw/zinc/11/15/17/940111517.db2.gz	ILVADPSJLSSWKW-HZSPNIEDSA-N	1	0	367.519	1.806	20	30		FDEDRO
CC(C)=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C#CC3CC3)n2)O1	ZINC001130785242	940119451	/nfs/dbraw/zinc/11/94/51/940119451.db2.gz	HEAVAFNBRXBKKN-JKSUJKDBSA-N	1	0	357.458	1.610	20	30		FDEDRO
O=C(C#CC1CC1)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC3CCCC3)O2)n[nH]1	ZINC001130785499	940119945	/nfs/dbraw/zinc/11/99/45/940119945.db2.gz	QWGXZSAYZLHZMU-DLBZAZTESA-N	1	0	371.485	1.834	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3c(C)coc3C)n2)O1	ZINC001130781018	940135732	/nfs/dbraw/zinc/13/57/32/940135732.db2.gz	KWZXZZIDAHXZOT-UONOGXRCSA-N	1	0	359.430	1.940	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3ccccc3)n2)O1	ZINC001130789993	940161360	/nfs/dbraw/zinc/16/13/60/940161360.db2.gz	CBPLZOVBDPZQMY-JKSUJKDBSA-N	1	0	353.426	1.107	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3[nH]ccc3C3CC3)n2)O1	ZINC001130790236	940163649	/nfs/dbraw/zinc/16/36/49/940163649.db2.gz	OLVJWYHEXCSUDS-DZGCQCFKSA-N	1	0	370.457	1.936	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3CC4(CC4)C3)n2)O1	ZINC001130806363	940180742	/nfs/dbraw/zinc/18/07/42/940180742.db2.gz	ATXMBSOTVGUMLW-LSDHHAIUSA-N	1	0	357.458	1.444	20	30		FDEDRO
C=CCC(C)(C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1	ZINC001130809090	940185679	/nfs/dbraw/zinc/18/56/79/940185679.db2.gz	GUCLKCGHYREHJU-QWHCGFSZSA-N	1	0	353.442	1.802	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3CCC(=C)CC3)n2)O1	ZINC001130802071	940196267	/nfs/dbraw/zinc/19/62/67/940196267.db2.gz	AHBUFTDVLKOLDP-JKSUJKDBSA-N	1	0	357.458	1.610	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3CC4(CCC4)C3)n2)O1	ZINC001130802536	940197909	/nfs/dbraw/zinc/19/79/09/940197909.db2.gz	ZAHCNYUDFZKKTM-JKSUJKDBSA-N	1	0	371.485	1.834	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCO)O2)n[nH]1	ZINC001130802382	940197948	/nfs/dbraw/zinc/19/79/48/940197948.db2.gz	QZTIDUYBWICADC-IYOUNJFTSA-N	1	0	365.478	1.215	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC34CCCC4)n2)O1	ZINC001130813139	940211456	/nfs/dbraw/zinc/21/14/56/940211456.db2.gz	JHFPEBBLBWMFKK-RRFJBIMHSA-N	1	0	357.458	1.444	20	30		FDEDRO
C#Cc1cncc(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c1	ZINC000807020584	940215181	/nfs/dbraw/zinc/21/51/81/940215181.db2.gz	NIWBCAYMBCGYDU-UHFFFAOYSA-N	1	0	356.470	1.419	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(C)(C)CC(C)C)n2)O1	ZINC001130816037	940217195	/nfs/dbraw/zinc/21/71/95/940217195.db2.gz	KNUHFSWSMOCQGH-LSDHHAIUSA-N	1	0	361.490	1.936	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H](C)C3CC3)n2)O1	ZINC001130819665	940226172	/nfs/dbraw/zinc/22/61/72/940226172.db2.gz	CDTNAFNFGKDWPC-CWRNSKLLSA-N	1	0	359.474	1.690	20	30		FDEDRO
CN1CCN(C(=O)c2cc(C#N)ccn2)[C@@H](CNC(=O)OC(C)(C)C)C1	ZINC000807077442	940242956	/nfs/dbraw/zinc/24/29/56/940242956.db2.gz	HCDLQSLVBHEDGE-AWEZNQCLSA-N	1	0	359.430	1.234	20	30		FDEDRO
COc1ccc(CNC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cc1C#N	ZINC000747388533	940307693	/nfs/dbraw/zinc/30/76/93/940307693.db2.gz	ABRRLXMRAOWZCX-GOSISDBHSA-N	1	0	373.501	1.638	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1c1cncn1C	ZINC001130909027	940315824	/nfs/dbraw/zinc/31/58/24/940315824.db2.gz	YFDIYWYMCWADLO-UKRRQHHQSA-N	1	0	356.430	1.080	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1C#N	ZINC000807361751	940321100	/nfs/dbraw/zinc/32/11/00/940321100.db2.gz	AXRUZYGDSNAMQH-ALOPSCKCSA-N	1	0	370.453	1.315	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCn2cccn2)C[C@H]1c1cncn1C	ZINC001130915250	940324465	/nfs/dbraw/zinc/32/44/65/940324465.db2.gz	FPQQOTIQWZQAKO-KZNAEPCWSA-N	1	0	370.501	1.946	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)n2cccn2)C[C@H]1c1cncn1C	ZINC001130921087	940331047	/nfs/dbraw/zinc/33/10/47/940331047.db2.gz	WERBKDOTISPKPO-GVDBMIGSSA-N	1	0	356.474	1.728	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cccnc2OC)C1	ZINC001130935600	940344721	/nfs/dbraw/zinc/34/47/21/940344721.db2.gz	BQCKYLOONPEZTA-IAGOWNOFSA-N	1	0	369.469	1.874	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnoc2C)C1	ZINC001130948429	940347053	/nfs/dbraw/zinc/34/70/53/940347053.db2.gz	KUTDNLHWHBESDS-HZPDHXFCSA-N	1	0	359.430	1.003	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#Cc2ccccc2)C1	ZINC001130946185	940357552	/nfs/dbraw/zinc/35/75/52/940357552.db2.gz	MDHQOBWKLHDCHT-BHIYHBOVSA-N	1	0	361.449	1.515	20	30		FDEDRO
CC[C@H](C)C[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1c1cncn1C	ZINC001130961824	940367438	/nfs/dbraw/zinc/36/74/38/940367438.db2.gz	SJLUMUCFKZLSJV-YSVLISHTSA-N	1	0	354.458	1.864	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC2=CCCCC2)C1	ZINC001130988913	940410751	/nfs/dbraw/zinc/41/07/51/940410751.db2.gz	PIVBWADNYXPWFA-BHIYHBOVSA-N	1	0	370.497	1.843	20	30		FDEDRO
Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2c2cncn2C)o1	ZINC001130991353	940413603	/nfs/dbraw/zinc/41/36/03/940413603.db2.gz	FLAJSNGJCAYDRS-IAGOWNOFSA-N	1	0	355.442	1.460	20	30		FDEDRO
Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2c2cncn2C)cn1	ZINC001130991625	940414583	/nfs/dbraw/zinc/41/45/83/940414583.db2.gz	UQJYXTMGGZXWHQ-QZTJIDSGSA-N	1	0	366.469	1.262	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2OCC[C@H]2C(C)C)C[C@H]1c1cncn1C	ZINC001130994248	940416707	/nfs/dbraw/zinc/41/67/07/940416707.db2.gz	PYSCTFRDZZNBEJ-FAJBIJEISA-N	1	0	358.486	1.389	20	30		FDEDRO
Cc1nocc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1c1cncn1C	ZINC001130985379	940422475	/nfs/dbraw/zinc/42/24/75/940422475.db2.gz	HCXNWQPSDPNPEK-IAGOWNOFSA-N	1	0	369.469	1.850	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2nn(C)cc2C)C[C@H]1c1cncn1C	ZINC001130985668	940423006	/nfs/dbraw/zinc/42/30/06/940423006.db2.gz	KZQIZMQYPOJRCJ-HZPDHXFCSA-N	1	0	356.474	1.626	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2nn(C)cc2C)C[C@H]1c1cncn1C	ZINC001130985761	940423337	/nfs/dbraw/zinc/42/33/37/940423337.db2.gz	OPDAYLBFMKHPEM-HZPDHXFCSA-N	1	0	356.474	1.626	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2nccnc2C)C1	ZINC001131001669	940428347	/nfs/dbraw/zinc/42/83/47/940428347.db2.gz	IIGGANWNSKKUFT-SJLPKXTDSA-N	1	0	368.485	1.959	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]C[C@H]3CCOC3)C2)CCC1	ZINC001131007614	940433792	/nfs/dbraw/zinc/43/37/92/940433792.db2.gz	CFTASDSGRSNPQR-KZNAEPCWSA-N	1	0	370.497	1.534	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCC3)C[C@H]1c1cncn1C	ZINC001131008250	940434637	/nfs/dbraw/zinc/43/46/37/940434637.db2.gz	YXRLXGOUGWUSHY-SJLPKXTDSA-N	1	0	368.485	1.727	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCO1	ZINC000807669556	940439630	/nfs/dbraw/zinc/43/96/30/940439630.db2.gz	YUKASSIIXQRETL-ZWKOTPCHSA-N	1	0	361.486	1.197	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C23CCC(CC2)C3)C[C@H]1c1cncn1C	ZINC001131014638	940447871	/nfs/dbraw/zinc/44/78/71/940447871.db2.gz	CYXCUIURHXXVFZ-BKVYSMKUSA-N	1	0	370.497	1.534	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccnc(OC)c2)C[C@H]1c1cncn1C	ZINC001131022856	940456423	/nfs/dbraw/zinc/45/64/23/940456423.db2.gz	JSXORZYJRGQWIC-HZPDHXFCSA-N	1	0	353.426	1.045	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccn3nccc23)C[C@H]1c1cncn1C	ZINC001131023052	940456426	/nfs/dbraw/zinc/45/64/26/940456426.db2.gz	OVBHHMGJNNCYJF-IAGOWNOFSA-N	1	0	364.453	1.842	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)ccc2OC)C[C@H]1c1cncn1C	ZINC001131025938	940458962	/nfs/dbraw/zinc/45/89/62/940458962.db2.gz	LHYBCNZETFSDIA-QZTJIDSGSA-N	1	0	366.465	1.958	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2coc(OCC)n2)C[C@H]1c1cncn1C	ZINC001131025850	940459033	/nfs/dbraw/zinc/45/90/33/940459033.db2.gz	GPYHCWMOWIVIKN-ZIAGYGMSSA-N	1	0	357.414	1.028	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(C)cc2)C[C@H]1c1cncn1C	ZINC001131029018	940464010	/nfs/dbraw/zinc/46/40/10/940464010.db2.gz	WNTPLYZCRDAVOK-RTBURBONSA-N	1	0	350.466	1.879	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCCc2c[nH]nn2)C[C@H]1c1cncn1C	ZINC001131038357	940466527	/nfs/dbraw/zinc/46/65/27/940466527.db2.gz	NREPJBAIWPIAOQ-IAGOWNOFSA-N	1	0	371.489	1.411	20	30		FDEDRO
Cn1cncc1[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1NCC#N	ZINC001131038498	940466719	/nfs/dbraw/zinc/46/67/19/940466719.db2.gz	VKOXYNYMXCYFAJ-HZPDHXFCSA-N	1	0	358.490	1.092	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](OCC)C2CCCC2)C[C@H]1c1cncn1C	ZINC001131038426	940466809	/nfs/dbraw/zinc/46/68/09/940466809.db2.gz	RAWBFIYBVWFLPA-LMMKCTJWSA-N	1	0	358.486	1.533	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(CCC)n[nH]2)C[C@H]1c1cncn1C	ZINC001131040114	940468103	/nfs/dbraw/zinc/46/81/03/940468103.db2.gz	MEXSAVMBBKKNTJ-NVXWUHKLSA-N	1	0	356.474	1.870	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2(C)CCCC2)C[C@H]1c1cncn1C	ZINC001131040303	940468519	/nfs/dbraw/zinc/46/85/19/940468519.db2.gz	RJGZOAQAKSJDGI-IAGOWNOFSA-N	1	0	358.486	1.534	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc3cn[nH]c32)C[C@H]1c1cncn1C	ZINC001131040551	940468833	/nfs/dbraw/zinc/46/88/33/940468833.db2.gz	ZNIAKBFICMKFHS-IAGOWNOFSA-N	1	0	362.437	1.518	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2cnn(C)c2)C[C@H]1c1cncn1C	ZINC001131041948	940471495	/nfs/dbraw/zinc/47/14/95/940471495.db2.gz	GVPORDNMHXHAQA-KBAYOESNSA-N	1	0	368.485	1.255	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCn2cncn2)C1	ZINC001131057473	940477806	/nfs/dbraw/zinc/47/78/06/940477806.db2.gz	JNRFEMOBTHEZSB-BRWVUGGUSA-N	1	0	371.489	1.198	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@H]1c1cncn1C	ZINC001131053962	940480856	/nfs/dbraw/zinc/48/08/56/940480856.db2.gz	LCKUXWHGKSPIGO-DISONHOPSA-N	1	0	358.486	1.553	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2(C(C)C)CC2)C[C@H]1c1cncn1C	ZINC001131067911	940483032	/nfs/dbraw/zinc/48/30/32/940483032.db2.gz	AUDPWRIAFPBJFJ-IAGOWNOFSA-N	1	0	360.502	1.943	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2cc(C)on2)C[C@H]1c1cncn1C	ZINC001131070283	940484523	/nfs/dbraw/zinc/48/45/23/940484523.db2.gz	NOAXICFDHKSZFC-IAGOWNOFSA-N	1	0	355.442	1.257	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)[nH]c2=O)C[C@H]1c1cncn1C	ZINC001131079019	940492077	/nfs/dbraw/zinc/49/20/77/940492077.db2.gz	AGTFRNBUDBBTLY-IAGOWNOFSA-N	1	0	369.469	1.993	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c(C)n[nH]c2C)C[C@H]1c1cncn1C	ZINC001131091425	940495585	/nfs/dbraw/zinc/49/55/85/940495585.db2.gz	GTFYWUXGPDFTIK-HZPDHXFCSA-N	1	0	356.474	1.924	20	30		FDEDRO
COc1ccc(CNC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1C#N	ZINC000747433432	940496259	/nfs/dbraw/zinc/49/62/59/940496259.db2.gz	WRGCJVFKQNDQEY-DLBZAZTESA-N	1	0	358.442	1.307	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCCOC2)C[C@H]1c1cncn1C	ZINC001131096706	940497354	/nfs/dbraw/zinc/49/73/54/940497354.db2.gz	LUGGESBTAOGMST-RCCFBDPRSA-N	1	0	358.486	1.534	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn(C(F)F)c2)C[C@H]1c1cncn1C	ZINC001131096718	940497365	/nfs/dbraw/zinc/49/73/65/940497365.db2.gz	MFKAESISOFINLT-ZIAGYGMSSA-N	1	0	364.400	1.786	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC=C(C)C)C2)cn1	ZINC001131112623	940498944	/nfs/dbraw/zinc/49/89/44/940498944.db2.gz	JAKOAGSBGODMRS-RTBURBONSA-N	1	0	363.465	1.960	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCCC)C2)cn1	ZINC001131113065	940499149	/nfs/dbraw/zinc/49/91/49/940499149.db2.gz	RYYKDMXPMAPGRO-QZTJIDSGSA-N	1	0	351.454	1.794	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)nn2)C[C@H]1c1cncn1C	ZINC001131100923	940500132	/nfs/dbraw/zinc/50/01/32/940500132.db2.gz	CJGSAOGXQKUFRI-GDBMZVCRSA-N	1	0	370.457	1.383	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+][C@@H](C)COC)C2)nc1	ZINC001131110085	940503418	/nfs/dbraw/zinc/50/34/18/940503418.db2.gz	BLIDDRUQGWUBBZ-YXJHDRRASA-N	1	0	367.453	1.029	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@H]1c1cncn1C	ZINC001131110151	940503452	/nfs/dbraw/zinc/50/34/52/940503452.db2.gz	FVSBHJPGQGCEJC-CHWSQXEVSA-N	1	0	356.392	1.916	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C2(CC=C)CCOCC2)C[C@H]1c1cncn1C	ZINC001131115693	940503652	/nfs/dbraw/zinc/50/36/52/940503652.db2.gz	VFZWEDCNTVWJLX-IAGOWNOFSA-N	1	0	358.486	1.863	20	30		FDEDRO
COC(=O)c1ccc(NN=C2c3ccccc3N(CC[NH+](C)C)C2=O)nc1	ZINC000807982322	940504244	/nfs/dbraw/zinc/50/42/44/940504244.db2.gz	WWBNZFVKWRVWHB-UHFFFAOYSA-N	1	0	367.409	1.593	20	30		FDEDRO
C[NH+](C)CCN1c2ccccc2C(=NN[C@@H](CO)c2ccccc2)C1=O	ZINC000807984574	940504621	/nfs/dbraw/zinc/50/46/21/940504621.db2.gz	BDFISMYFSRJQJV-KRWDZBQOSA-N	1	0	352.438	1.622	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@H]1c1cncn1C	ZINC001131119671	940505587	/nfs/dbraw/zinc/50/55/87/940505587.db2.gz	PRXXGGDIWXZZRH-IAGOWNOFSA-N	1	0	369.469	1.132	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCCc2nc(C)no2)C[C@H]1c1cncn1C	ZINC001131120921	940506196	/nfs/dbraw/zinc/50/61/96/940506196.db2.gz	DAQKWQFLBPLFCI-HZPDHXFCSA-N	1	0	370.457	1.042	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COc2ccc(F)cc2)C[C@H]1c1cncn1C	ZINC001131121125	940506361	/nfs/dbraw/zinc/50/63/61/940506361.db2.gz	NNWVBTAXGYMBOC-QZTJIDSGSA-N	1	0	370.428	1.546	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c3ncccc23)C[C@H]1c1cncn1C	ZINC001131123761	940507267	/nfs/dbraw/zinc/50/72/67/940507267.db2.gz	SMUUANMIZQFRHU-IAGOWNOFSA-N	1	0	362.437	1.518	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH]nc3C2)C[C@H]1c1cncn1C	ZINC001131125550	940507797	/nfs/dbraw/zinc/50/77/97/940507797.db2.gz	GNOUADWVGPVSGQ-QGPMSJSTSA-N	1	0	368.485	1.408	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ncc3n2CCCC3)C[C@H]1c1cncn1C	ZINC001131126386	940508035	/nfs/dbraw/zinc/50/80/35/940508035.db2.gz	ZYBUMNJMXNAUQH-IAGOWNOFSA-N	1	0	366.469	1.174	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2cscn2)C[C@H]1c1cncn1C	ZINC001131130170	940510751	/nfs/dbraw/zinc/51/07/51/940510751.db2.gz	BWCDZZQSNGTZNE-HZPDHXFCSA-N	1	0	357.483	1.417	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCSCC)C1	ZINC001131300805	940546576	/nfs/dbraw/zinc/54/65/76/940546576.db2.gz	DWMPMYYSGIASDX-XHSDSOJGSA-N	1	0	367.515	1.812	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ncc[nH]2)C1	ZINC001131307316	940549105	/nfs/dbraw/zinc/54/91/05/940549105.db2.gz	OYFAYLUOQYZHOZ-ZNMIVQPWSA-N	1	0	359.430	1.095	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C#CC(C)(C)C)C1	ZINC001131307567	940549360	/nfs/dbraw/zinc/54/93/60/940549360.db2.gz	XGNNQEUYAAFDLI-BBWFWOEESA-N	1	0	359.470	1.718	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cncc(C)c3)C2)C1=O	ZINC001086664650	940550696	/nfs/dbraw/zinc/55/06/96/940550696.db2.gz	YGUOYAKGTGTTEG-CGTJXYLNSA-N	1	0	356.470	1.665	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC(C)C)CC1	ZINC001131414679	940563948	/nfs/dbraw/zinc/56/39/48/940563948.db2.gz	OBIVIWIKZSNODP-WDYCEAGBSA-N	1	0	363.502	1.156	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCC)CC1	ZINC001131408847	940565497	/nfs/dbraw/zinc/56/54/97/940565497.db2.gz	VRBJVDCLSJMPEF-KYJSFNMBSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2COCCO2)CC1	ZINC001131427310	940567077	/nfs/dbraw/zinc/56/70/77/940567077.db2.gz	VLMPXOONJQCFAK-SQNIBIBYSA-N	1	0	352.475	1.354	20	30		FDEDRO
CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CSCC#N)CC1	ZINC001131429614	940567416	/nfs/dbraw/zinc/56/74/16/940567416.db2.gz	OKKJFDCKNGPCPU-WBVHZDCISA-N	1	0	355.504	1.265	20	30		FDEDRO
CCO[C@@H](CC)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC#CCOC)CC1	ZINC001131439731	940588907	/nfs/dbraw/zinc/58/89/07/940588907.db2.gz	QUZIGIUMTCXWTA-QYZOEREBSA-N	1	0	366.502	1.437	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](CC)OCC)CC1	ZINC001131439666	940589053	/nfs/dbraw/zinc/58/90/53/940589053.db2.gz	NOUYWQDYGZUFBJ-QRVBRYPASA-N	1	0	368.518	1.990	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccnn2C)CC1	ZINC001131442402	940592009	/nfs/dbraw/zinc/59/20/09/940592009.db2.gz	PHLSYWLKNSVNJP-AEFFLSMTSA-N	1	0	362.474	1.222	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)C2CC2)CC1	ZINC001131436862	940599937	/nfs/dbraw/zinc/59/99/37/940599937.db2.gz	GADQPYVCRPQVDO-MJGOQNOKSA-N	1	0	363.502	1.465	20	30		FDEDRO
CO[C@@H](C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1	ZINC001131464291	940621761	/nfs/dbraw/zinc/62/17/61/940621761.db2.gz	LKDFJFUBGPWRHU-XCRHUMRWSA-N	1	0	360.458	1.521	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H](C)SC)CC1	ZINC001131472855	940627552	/nfs/dbraw/zinc/62/75/52/940627552.db2.gz	AYUVQJVSIPGQTK-SUMDDJOVSA-N	1	0	368.543	1.764	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CO[C@H]2CCOC2)CC1	ZINC001131496034	940647243	/nfs/dbraw/zinc/64/72/43/940647243.db2.gz	LNTOPPVHESAIPC-SCTDSRPQSA-N	1	0	352.475	1.354	20	30		FDEDRO
CC(C)C#CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NC(C)C)CC1	ZINC001131496170	940647554	/nfs/dbraw/zinc/64/75/54/940647554.db2.gz	SGNKOVWXWMSXJN-XLIONFOSSA-N	1	0	363.502	1.156	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC(=O)N(CC)C2)CC1	ZINC001131510529	940659913	/nfs/dbraw/zinc/65/99/13/940659913.db2.gz	OAWCNDKJSWAESN-LMMKCTJWSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)NC(=O)CC)CC1	ZINC001131506576	940668387	/nfs/dbraw/zinc/66/83/87/940668387.db2.gz	FIICWNNUNFRMGQ-WDYCEAGBSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=C(C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(=O)N(C)C)CC1	ZINC001131506763	940669198	/nfs/dbraw/zinc/66/91/98/940669198.db2.gz	NXHPGVLMWLIADF-WDYCEAGBSA-N	1	0	365.518	1.805	20	30		FDEDRO
C=C(C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCO)CC1	ZINC001131506958	940669497	/nfs/dbraw/zinc/66/94/97/940669497.db2.gz	YFUATNALTHFSDQ-MJGOQNOKSA-N	1	0	354.491	1.337	20	30		FDEDRO
C=C(C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(=O)NC)CC1	ZINC001131506919	940669510	/nfs/dbraw/zinc/66/95/10/940669510.db2.gz	WIADUYGAIQLMKY-LESCRADOSA-N	1	0	351.491	1.463	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cncc3nc[nH]c32)CC1	ZINC001131506887	940669512	/nfs/dbraw/zinc/66/95/12/940669512.db2.gz	UVYMOUSWWBVDQM-APWZRJJASA-N	1	0	367.453	1.581	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn[nH]c(=O)c2)CC1	ZINC001131517491	940685023	/nfs/dbraw/zinc/68/50/23/940685023.db2.gz	UPWPWJKWOLGZCE-AEFFLSMTSA-N	1	0	360.458	1.748	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCC(=O)N2)CC1	ZINC001131519809	940689552	/nfs/dbraw/zinc/68/95/52/940689552.db2.gz	ZFFIRNGDEPHLHM-LMMKCTJWSA-N	1	0	363.502	1.607	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(OC)nc2)CC1	ZINC001131528573	940698728	/nfs/dbraw/zinc/69/87/28/940698728.db2.gz	ZGTTWIVCXGLEJB-MJGOQNOKSA-N	1	0	357.454	1.713	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(=O)NC)CC1	ZINC001131546277	940722161	/nfs/dbraw/zinc/72/21/61/940722161.db2.gz	UNEQODONACTJRJ-IMJJTQAJSA-N	1	0	351.491	1.319	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2ncccc2F)CC1	ZINC001131552329	940728707	/nfs/dbraw/zinc/72/87/07/940728707.db2.gz	KQLQDLXTYNYRPZ-XLIONFOSSA-N	1	0	359.445	1.772	20	30		FDEDRO
C=C1CC(C)(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+][C@H](C)C(=O)NC)CC2)C1	ZINC001131559925	940734248	/nfs/dbraw/zinc/73/42/48/940734248.db2.gz	OHBMHKWQDKQKLJ-OIISXLGYSA-N	1	0	363.502	1.463	20	30		FDEDRO
CC#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H]2CCNC2=O)CC1	ZINC001131547858	940736814	/nfs/dbraw/zinc/73/68/14/940736814.db2.gz	HCSCLCXBXHKYPC-LMMKCTJWSA-N	1	0	361.486	1.054	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H](C)n2ccnc2)CC1	ZINC001131572331	940748441	/nfs/dbraw/zinc/74/84/41/940748441.db2.gz	DVFHODWDASIZLB-HQRMLTQVSA-N	1	0	358.486	1.843	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)OCCOC)CC1	ZINC001131578382	940755674	/nfs/dbraw/zinc/75/56/74/940755674.db2.gz	UTKYTKLSWJDFSJ-UHOSZYNNSA-N	1	0	368.518	1.990	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c[nH]c(C)cc2=O)CC1	ZINC001131588144	940757498	/nfs/dbraw/zinc/75/74/98/940757498.db2.gz	UDOMIBHKILBFAE-MJGOQNOKSA-N	1	0	359.470	1.859	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H]2CCC(=O)N2)CC1	ZINC001131579874	940765917	/nfs/dbraw/zinc/76/59/17/940765917.db2.gz	BQLJJFJDRODSEF-HLIPFELVSA-N	1	0	363.502	1.607	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn(CC3CC3)nn2)CC1	ZINC001131584926	940770636	/nfs/dbraw/zinc/77/06/36/940770636.db2.gz	JCFGGQLZEVEBNE-MJGOQNOKSA-N	1	0	371.485	1.311	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCN2CCCC2=O)CC1	ZINC001131604656	940773744	/nfs/dbraw/zinc/77/37/44/940773744.db2.gz	ALTCMHBGVCOVNT-XLIONFOSSA-N	1	0	363.502	1.561	20	30		FDEDRO
Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCC[N@@H+](C)CCN(C)C	ZINC000809190752	940778754	/nfs/dbraw/zinc/77/87/54/940778754.db2.gz	JQNYJEHPGJEIDT-UHFFFAOYSA-N	1	0	357.458	1.864	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC#CC)CC2)nc1	ZINC001131597150	940780934	/nfs/dbraw/zinc/78/09/34/940780934.db2.gz	OGQLVWWPWBUUEH-QUCCMNQESA-N	1	0	351.450	1.686	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC)CC1	ZINC001131610141	940789424	/nfs/dbraw/zinc/78/94/24/940789424.db2.gz	BDGONCGBTLQQEY-CVEARBPZSA-N	1	0	366.506	1.256	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCNC(=O)CC(C)C)CC1	ZINC001131612854	940792363	/nfs/dbraw/zinc/79/23/63/940792363.db2.gz	PUNQWSCKSLRVKH-XLIONFOSSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCC(N)=O)CC1	ZINC001131612883	940792509	/nfs/dbraw/zinc/79/25/09/940792509.db2.gz	QRIZZDLORYFPJO-APWZRJJASA-N	1	0	351.491	1.594	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F	ZINC001131652175	940820097	/nfs/dbraw/zinc/82/00/97/940820097.db2.gz	BANDACVICGDAPD-TUKIKUTGSA-N	1	0	351.397	1.465	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1C#N	ZINC000809503793	940846245	/nfs/dbraw/zinc/84/62/45/940846245.db2.gz	JRHLTSCBUANCNL-QGZVFWFLSA-N	1	0	370.453	1.270	20	30		FDEDRO
Cn1c(Cl)cnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1	ZINC001086676135	940924757	/nfs/dbraw/zinc/92/47/57/940924757.db2.gz	YMNXEJURZQBJAM-NWDGAFQWSA-N	1	0	360.849	1.962	20	30		FDEDRO
C[C@H]1CCCN(C(=O)C[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1	ZINC001086676647	940949192	/nfs/dbraw/zinc/94/91/92/940949192.db2.gz	NMHRMXYDHIRVSC-YQQAZPJKSA-N	1	0	371.485	1.633	20	30		FDEDRO
C[NH+]1CCC2(CCCN(C(=O)C(=O)Nc3ccc(C#N)c(F)c3)C2)CC1	ZINC000810410013	940986806	/nfs/dbraw/zinc/98/68/06/940986806.db2.gz	YPBJSWNNNVBFNX-UHFFFAOYSA-N	1	0	358.417	1.970	20	30		FDEDRO
CC(=O)N1CC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)C1	ZINC001086682371	941046486	/nfs/dbraw/zinc/04/64/86/941046486.db2.gz	MDGRBMNYNODYJX-HNAYVOBHSA-N	1	0	354.454	1.411	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)O[C@H]1CCCN(c2cc[nH+]c(N)n2)C1	ZINC000810762163	941053276	/nfs/dbraw/zinc/05/32/76/941053276.db2.gz	ZVEUATFSQMOIJV-HIFRSBDPSA-N	1	0	367.409	1.910	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000810848317	941067805	/nfs/dbraw/zinc/06/78/05/941067805.db2.gz	SKICDXZGUYNVHW-CVEARBPZSA-N	1	0	362.451	1.382	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)OCC(=O)N(CCC#N)CCC#N)C1	ZINC000811446013	941132918	/nfs/dbraw/zinc/13/29/18/941132918.db2.gz	BRZCAMRLIUSLPD-KRWDZBQOSA-N	1	0	352.410	1.398	20	30		FDEDRO
Cc1nsc(N2CCN(C(=S)NC3CC[NH+](C)CC3)CC2)c1C#N	ZINC000811711738	941152465	/nfs/dbraw/zinc/15/24/65/941152465.db2.gz	SCOYIDFOYOJFIP-UHFFFAOYSA-N	1	0	364.544	1.414	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1	ZINC000747816677	941271932	/nfs/dbraw/zinc/27/19/32/941271932.db2.gz	OHGUHMQPELJQJD-CQSZACIVSA-N	1	0	359.392	1.249	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)NCc2cccc(OC)c2)CC1	ZINC000747818644	941273017	/nfs/dbraw/zinc/27/30/17/941273017.db2.gz	XUDCNWSAPYNBEJ-HNNXBMFYSA-N	1	0	357.454	1.161	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(=O)N(C)[C@@H]2CCCc3ccccc32)CC1	ZINC000747825636	941280800	/nfs/dbraw/zinc/28/08/00/941280800.db2.gz	ZHHCCAAJEGDYKO-HXUWFJFHSA-N	1	0	367.493	1.984	20	30		FDEDRO
CCN1C[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)CC1=O	ZINC001086710612	941359286	/nfs/dbraw/zinc/35/92/86/941359286.db2.gz	GIGLSAVYDRVTKU-GBESFXJTSA-N	1	0	368.481	1.801	20	30		FDEDRO
CCCCCCC[NH2+]CCNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1	ZINC001133787418	941390443	/nfs/dbraw/zinc/39/04/43/941390443.db2.gz	IXXFAVBUTDOSSR-DLBZAZTESA-N	1	0	353.507	1.833	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(S(=O)(=O)CC)cc1	ZINC001134053286	941529661	/nfs/dbraw/zinc/52/96/61/941529661.db2.gz	QTPOOHCOJUFHQA-SJORKVTESA-N	1	0	366.483	1.277	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)Nc1ccc(CC)cc1	ZINC001134053492	941529937	/nfs/dbraw/zinc/52/99/37/941529937.db2.gz	WVOVSBARBYOUJL-OLMNPRSZSA-N	1	0	359.470	1.873	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H]1CCCN(c2ccccc2)C1=O	ZINC001134054215	941530618	/nfs/dbraw/zinc/53/06/18/941530618.db2.gz	AJGZOJKMNXFRQY-SQNIBIBYSA-N	1	0	357.454	1.479	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)Nc1cc(F)ccc1F	ZINC001134061852	941540362	/nfs/dbraw/zinc/54/03/62/941540362.db2.gz	GPPRARCWUZRYGY-GHJWDPDVSA-N	1	0	367.396	1.589	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCCNC3=O)C2)cc1	ZINC001086723798	941695336	/nfs/dbraw/zinc/69/53/36/941695336.db2.gz	WFYHPOFDBKZWHL-KSZLIROESA-N	1	0	354.454	1.459	20	30		FDEDRO
N#Cc1cccc([C@@H](O)C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1	ZINC001170757051	941702268	/nfs/dbraw/zinc/70/22/68/941702268.db2.gz	RCWSOZDLWAIZON-HIFRSBDPSA-N	1	0	355.360	1.982	20	30		FDEDRO
CC(N=Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C1CC[NH+](C)CC1	ZINC000814687194	941707241	/nfs/dbraw/zinc/70/72/41/941707241.db2.gz	QTJDLEMXQLIQMO-UHFFFAOYSA-N	1	0	355.420	1.372	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001086724350	941710961	/nfs/dbraw/zinc/71/09/61/941710961.db2.gz	WFOSGLLXWNIJPM-JKSUJKDBSA-N	1	0	353.426	1.984	20	30		FDEDRO
C#CC[N@@H+](C)CCCNc1ccc(S(=O)(=O)N[C@H](C)CCC)cn1	ZINC000814928949	941740592	/nfs/dbraw/zinc/74/05/92/941740592.db2.gz	CMVQPYIDXDVJBQ-OAHLLOKOSA-N	1	0	352.504	1.916	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(OCC(F)(F)F)cc1	ZINC000815082371	941777173	/nfs/dbraw/zinc/77/71/73/941777173.db2.gz	NNKOZTWVCPEHBN-UHFFFAOYSA-N	1	0	364.389	1.861	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCCc1cccs1	ZINC001135145812	941929657	/nfs/dbraw/zinc/92/96/57/941929657.db2.gz	UXKNFLZRYVJZCL-RDJZCZTQSA-N	1	0	365.499	1.094	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCCN(c2ccccc2)C1=O	ZINC001135145697	941929700	/nfs/dbraw/zinc/92/97/00/941929700.db2.gz	PVSGESONDHEEQU-OTWHNJEPSA-N	1	0	371.481	1.869	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCO[C@H]1C(=C)C	ZINC001135147189	941942310	/nfs/dbraw/zinc/94/23/10/941942310.db2.gz	DDKOKCUBWDXUIU-IKGGRYGDSA-N	1	0	351.491	1.487	20	30		FDEDRO
CN(CC(C)(C)C#N)C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1	ZINC000815801970	941972270	/nfs/dbraw/zinc/97/22/70/941972270.db2.gz	KGRHKXNFRWBLLU-UHFFFAOYSA-N	1	0	357.458	1.385	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Cl)c2cccnc12	ZINC000815859563	941995764	/nfs/dbraw/zinc/99/57/64/941995764.db2.gz	FKVZPORQXHHNMG-UHFFFAOYSA-N	1	0	358.829	1.898	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N	ZINC000815861141	941997405	/nfs/dbraw/zinc/99/74/05/941997405.db2.gz	SDHKOCODDBYNHG-HNNXBMFYSA-N	1	0	372.494	1.948	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(-c2nnc(C)o2)cc1	ZINC000815861025	941997431	/nfs/dbraw/zinc/99/74/31/941997431.db2.gz	NGNRUTWJZFRJBK-UHFFFAOYSA-N	1	0	355.398	1.055	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1csc(-c2ccccn2)n1	ZINC000815861215	941997558	/nfs/dbraw/zinc/99/75/58/941997558.db2.gz	XKSSDXMEMKBKPY-UHFFFAOYSA-N	1	0	357.439	1.215	20	30		FDEDRO
CCc1ccc(C#CC(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)cc1	ZINC000815920912	942018862	/nfs/dbraw/zinc/01/88/62/942018862.db2.gz	SAMUPBIQTGJHCP-UHFFFAOYSA-N	1	0	356.466	1.286	20	30		FDEDRO
CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](C[NH+]2CCC(C#N)CC2)C1	ZINC000816498730	942230531	/nfs/dbraw/zinc/23/05/31/942230531.db2.gz	JDDANIONNORGFS-INIZCTEOSA-N	1	0	364.490	1.985	20	30		FDEDRO
C[C@H]1COCC[N@@H+]1C1CCN(C(=O)Cc2ccc(OCC#N)cc2)CC1	ZINC000816682204	942301312	/nfs/dbraw/zinc/30/13/12/942301312.db2.gz	RLOJFJRTISERSX-INIZCTEOSA-N	1	0	357.454	1.843	20	30		FDEDRO
Cn1ccc(=O)c(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)c1	ZINC001086754307	942316649	/nfs/dbraw/zinc/31/66/49/942316649.db2.gz	JYYYLEFVOZPQDQ-MAUKXSAKSA-N	1	0	364.449	1.945	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3coc(C(N)=O)c3)C2)cc1	ZINC001086766111	942426025	/nfs/dbraw/zinc/42/60/25/942426025.db2.gz	AEDMAAXRWYNMEA-DOTOQJQBSA-N	1	0	366.421	1.938	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NC1CC1	ZINC001170851833	942454227	/nfs/dbraw/zinc/45/42/27/942454227.db2.gz	BCGYWSGCAAWWFY-UAGQMJEPSA-N	1	0	351.491	1.511	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCNC(=O)C2N=CC=CC2=O)CC[N@@H+](C2CCC2)C1	ZINC000817021687	942457880	/nfs/dbraw/zinc/45/78/80/942457880.db2.gz	QVXLFQZGHLLWCU-HLAUDOPJSA-N	1	0	360.458	1.236	20	30		FDEDRO
CN1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)C1=O	ZINC001086779406	942478114	/nfs/dbraw/zinc/47/81/14/942478114.db2.gz	LLERIRGDMBCZGN-RCCFBDPRSA-N	1	0	354.454	1.411	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1	ZINC000817172157	942606493	/nfs/dbraw/zinc/60/64/93/942606493.db2.gz	UKKKKYBOIFDFJC-HXUWFJFHSA-N	1	0	361.445	1.675	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1	ZINC001086802578	942710261	/nfs/dbraw/zinc/71/02/61/942710261.db2.gz	PBKQXGYBJPJERI-XWTMOSNGSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C)c(C(N)=O)cn2)C1	ZINC001086808247	942833169	/nfs/dbraw/zinc/83/31/69/942833169.db2.gz	WHAUGYLNKLZZGQ-QWHCGFSZSA-N	1	0	350.850	1.730	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NCCCC[N@H+](C)C2CC2)cc1C#N	ZINC000817839539	943001465	/nfs/dbraw/zinc/00/14/65/943001465.db2.gz	MVUAJGPAJBVICH-UHFFFAOYSA-N	1	0	358.442	1.174	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[N@H+](CCCOCc2ccccc2)C[C@H]1O	ZINC001195466592	970969472	/nfs/dbraw/zinc/96/94/72/970969472.db2.gz	BOWCRLJMSPSLKR-WOJBJXKFSA-N	1	0	358.482	1.948	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2	ZINC000818133446	943191184	/nfs/dbraw/zinc/19/11/84/943191184.db2.gz	KLOKJZKHRDGIDI-QWHCGFSZSA-N	1	0	353.806	1.282	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)ccc1F	ZINC000818562791	943287214	/nfs/dbraw/zinc/28/72/14/943287214.db2.gz	ACHOOJMONQQYHF-AWEZNQCLSA-N	1	0	367.446	1.257	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@H](C)SCC(=O)Nc1ccc(F)cc1	ZINC000818606417	943329969	/nfs/dbraw/zinc/32/99/69/943329969.db2.gz	SLEXBNBKYLTHKI-AWEZNQCLSA-N	1	0	365.474	1.957	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Cc1cccc(I)c1	ZINC000818609107	943330829	/nfs/dbraw/zinc/33/08/29/943330829.db2.gz	KVMCSBABOIOZSP-UHFFFAOYSA-N	1	0	370.234	1.905	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1cccc(NS(=O)(=O)CCC)c1	ZINC000818609146	943330948	/nfs/dbraw/zinc/33/09/48/943330948.db2.gz	MFGFXTNWKHIQPK-UHFFFAOYSA-N	1	0	351.472	1.523	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C[C@H]1COCCN1C(=O)OC(C)(C)C	ZINC000818609086	943331641	/nfs/dbraw/zinc/33/16/41/943331641.db2.gz	KITPMOMMLCADEW-HNNXBMFYSA-N	1	0	353.463	1.084	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(CC[NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1	ZINC000818965455	943346199	/nfs/dbraw/zinc/34/61/99/943346199.db2.gz	IIKCOUBMLQRTIO-SFHVURJKSA-N	1	0	374.485	1.734	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc4n(n3)CCC4)C2)nn1	ZINC001086823689	943368639	/nfs/dbraw/zinc/36/86/39/943368639.db2.gz	QSPMHLBNGCEDCR-LSDHHAIUSA-N	1	0	369.473	1.295	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3scnc3C)C2)nn1	ZINC001086822985	943383793	/nfs/dbraw/zinc/38/37/93/943383793.db2.gz	HPOXIGFRONTWJV-UONOGXRCSA-N	1	0	360.487	1.917	20	30		FDEDRO
C#Cc1cccc(NC(=O)NC(=O)C[NH2+][C@@H]2C[C@@H](OCC)[C@H]2SC)c1	ZINC001195487279	970987586	/nfs/dbraw/zinc/98/75/86/970987586.db2.gz	HPPGRJCXMDXUMI-INMHGKMJSA-N	1	0	361.467	1.815	20	30		FDEDRO
O=C(NCC[NH2+]C[C@@H](O)c1ccc(F)cc1Cl)C1N=CC=CC1=O	ZINC000819050603	943395324	/nfs/dbraw/zinc/39/53/24/943395324.db2.gz	UEPPQYULUKZRRT-HDUPEWFZSA-N	1	0	353.781	1.629	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000819052018	943395740	/nfs/dbraw/zinc/39/57/40/943395740.db2.gz	YLRCUOGLMYOERL-HZPDHXFCSA-N	1	0	361.442	1.897	20	30		FDEDRO
Cc1cccc(C)c1OC[C@H](O)C[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000819053325	943396674	/nfs/dbraw/zinc/39/66/74/943396674.db2.gz	ILDOPKGZVFNONG-QFPXGYFVSA-N	1	0	359.426	1.159	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)cc1	ZINC000819055453	943397904	/nfs/dbraw/zinc/39/79/04/943397904.db2.gz	QRTXKWRGPHJDJZ-QFBILLFUSA-N	1	0	350.422	1.559	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]Cc1ccc(N(C)C(=O)c2ccncc2)cc1	ZINC000819084271	943413304	/nfs/dbraw/zinc/41/33/04/943413304.db2.gz	LSSZHAKYRFFELL-UHFFFAOYSA-N	1	0	350.422	1.587	20	30		FDEDRO
CC[C@@H](C#N)Oc1cccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1	ZINC000819068452	943428234	/nfs/dbraw/zinc/42/82/34/943428234.db2.gz	PZQFUDHGOXSMLU-HOTGVXAUSA-N	1	0	359.386	1.623	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000819079886	943433113	/nfs/dbraw/zinc/43/31/13/943433113.db2.gz	XZHOYOBCBUYFSV-INIZCTEOSA-N	1	0	361.442	1.701	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccn(CC)n3)C2)nn1	ZINC001086825103	943437907	/nfs/dbraw/zinc/43/79/07/943437907.db2.gz	QGOSWMZKWVBMCM-JKSUJKDBSA-N	1	0	371.489	1.759	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+]C2COC(C)(C)OC2)c(OC)c1	ZINC000819226509	943497958	/nfs/dbraw/zinc/49/79/58/943497958.db2.gz	SCZOWEGVXVCYKL-MRXNPFEDSA-N	1	0	351.443	1.905	20	30		FDEDRO
C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]C[C@H](O)c1ccc(C#N)cc1	ZINC000819299654	943509470	/nfs/dbraw/zinc/50/94/70/943509470.db2.gz	YWIXLGQVRWWKTD-KXBFYZLASA-N	1	0	373.478	1.938	20	30		FDEDRO
CC(C)(C)S(=O)(=O)N1CCC([NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1	ZINC000819263493	943516558	/nfs/dbraw/zinc/51/65/58/943516558.db2.gz	ZPOLCDQWCUEJKP-KRWDZBQOSA-N	1	0	365.499	1.774	20	30		FDEDRO
C[C@@H]1C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)CCN1C(=O)OC(C)(C)C	ZINC000819268787	943520387	/nfs/dbraw/zinc/52/03/87/943520387.db2.gz	UZJOPCHBGNHJDJ-OAGGEKHMSA-N	1	0	354.495	1.570	20	30		FDEDRO
Cn1ncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)n1	ZINC001086827670	943577175	/nfs/dbraw/zinc/57/71/75/943577175.db2.gz	DCMCLZAHEPLGCZ-DZGCQCFKSA-N	1	0	356.405	1.514	20	30		FDEDRO
Cn1ncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)n1	ZINC001086827747	943577868	/nfs/dbraw/zinc/57/78/68/943577868.db2.gz	ICJDWPUSBNBQOX-JKSUJKDBSA-N	1	0	368.441	1.406	20	30		FDEDRO
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC000856253328	971009540	/nfs/dbraw/zinc/00/95/40/971009540.db2.gz	KELGWFQHMLQZEQ-HNAYVOBHSA-N	1	0	365.474	1.306	20	30		FDEDRO
C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1	ZINC000819541427	943609589	/nfs/dbraw/zinc/60/95/89/943609589.db2.gz	SUHUUCHYWQIHQD-ZNMIVQPWSA-N	1	0	350.463	1.736	20	30		FDEDRO
CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@H]3CCCN(O)C3=O)cc2)CC1	ZINC000820476524	944064923	/nfs/dbraw/zinc/06/49/23/944064923.db2.gz	MLJQHQMCGJQXKR-KRWDZBQOSA-N	1	0	360.458	1.327	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)Cc3ccccc3CC#N)CC2)C1=O	ZINC000820627960	944128081	/nfs/dbraw/zinc/12/80/81/944128081.db2.gz	VJLPGDCREAHZKO-GOSISDBHSA-N	1	0	354.454	1.106	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3nc(C)oc3C)C2)C1=O	ZINC001086837862	944153693	/nfs/dbraw/zinc/15/36/93/944153693.db2.gz	YJFBZCHZPVBZSO-XHSDSOJGSA-N	1	0	360.458	1.566	20	30		FDEDRO
CON=C(C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)c1csc(N)n1	ZINC000821319648	944415164	/nfs/dbraw/zinc/41/51/64/944415164.db2.gz	ZQULKYJXVBEHGW-GFCCVEGCSA-N	1	0	351.476	1.266	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]nc3C3CC3)C2)C1=O	ZINC001086843780	944421472	/nfs/dbraw/zinc/42/14/72/944421472.db2.gz	VYJASJJMKANOKU-LXZKKBNFSA-N	1	0	371.485	1.562	20	30		FDEDRO
N#Cc1c2ccccc2[nH]c1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC001136516905	944760566	/nfs/dbraw/zinc/76/05/66/944760566.db2.gz	MJGKCOREZUXDCZ-CYBMUJFWSA-N	1	0	353.426	1.357	20	30		FDEDRO
N#Cc1cccc2[nH]cc(C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)c21	ZINC001136517288	944761928	/nfs/dbraw/zinc/76/19/28/944761928.db2.gz	WKFOSVQOZKLFCO-AWEZNQCLSA-N	1	0	353.426	1.357	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3cccnc3)on2)C1	ZINC001195708149	971175989	/nfs/dbraw/zinc/17/59/89/971175989.db2.gz	FUAOVAPSSWPMHD-KBRIMQKVSA-N	1	0	356.426	1.866	20	30		FDEDRO
COc1ccc(CNC(=O)[C@@H](C#N)C(=O)C2CC[NH+](C3CC3)CC2)cc1	ZINC000805857541	946252632	/nfs/dbraw/zinc/25/26/32/946252632.db2.gz	DKGDICFUBVAXAC-SFHVURJKSA-N	1	0	355.438	1.895	20	30		FDEDRO
C=CCCS(=O)(=O)N1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1	ZINC000856542144	971221933	/nfs/dbraw/zinc/22/19/33/971221933.db2.gz	PWVZGJVMOOFLJS-QGZVFWFLSA-N	1	0	353.488	1.892	20	30		FDEDRO
CCN(CCC#N)C(=O)CN1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1	ZINC000856592811	971240636	/nfs/dbraw/zinc/24/06/36/971240636.db2.gz	XJDIDVYUSBSIEK-LJQANCHMSA-N	1	0	373.501	1.749	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CC[N@@H+](CCC)C2)s1	ZINC000824680845	946679022	/nfs/dbraw/zinc/67/90/22/946679022.db2.gz	FGMBCJOLQADUDU-CYBMUJFWSA-N	1	0	371.528	1.355	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1	ZINC001090788396	946696136	/nfs/dbraw/zinc/69/61/36/946696136.db2.gz	QKVMCADXJBLNJM-RHSMWYFYSA-N	1	0	365.441	1.211	20	30		FDEDRO
C#CCCCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573284518	946749540	/nfs/dbraw/zinc/74/95/40/946749540.db2.gz	FNFJIBDLUHSEPW-QWHCGFSZSA-N	1	0	358.421	1.792	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc(F)cc2Cl)C1	ZINC001195842097	971273880	/nfs/dbraw/zinc/27/38/80/971273880.db2.gz	HWOVOHBPWVEIPW-HZPDHXFCSA-N	1	0	356.825	1.386	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](NC(=O)CC3([NH+](C)C)CCCC3)C2)n1	ZINC001090796626	946788376	/nfs/dbraw/zinc/78/83/76/946788376.db2.gz	SOEGJCBVKPBCOL-RHSMWYFYSA-N	1	0	370.501	1.862	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CCCCNc1nc(Cl)nc2c1CC[NH2+]CC2	ZINC001171067767	946807303	/nfs/dbraw/zinc/80/73/03/946807303.db2.gz	OYBYGMFTRDZVLK-ZDUSSCGKSA-N	1	0	367.881	1.457	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CCCCNc1cncc([C@H]2C[NH+]3CCC2CC3)n1	ZINC001171070440	946828387	/nfs/dbraw/zinc/82/83/87/946828387.db2.gz	BKYSQPXSANDNHF-IRXDYDNUSA-N	1	0	373.501	1.925	20	30		FDEDRO
C#CCCOc1ccc(C[NH2+]CCS(=O)(=O)C2CCOCC2)cc1	ZINC000824897582	946843524	/nfs/dbraw/zinc/84/35/24/946843524.db2.gz	YEINNWNQPJYNAG-UHFFFAOYSA-N	1	0	351.468	1.772	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1	ZINC001573560412	946951951	/nfs/dbraw/zinc/95/19/51/946951951.db2.gz	CABCUQWSDSSXQZ-GFCCVEGCSA-N	1	0	371.420	1.588	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C(C)(C)C1	ZINC001573561498	946964415	/nfs/dbraw/zinc/96/44/15/946964415.db2.gz	LJESPKUQLUFNLH-GWCFXTLKSA-N	1	0	359.459	1.414	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C(C)(C)C1	ZINC001573561967	946970420	/nfs/dbraw/zinc/97/04/20/946970420.db2.gz	PSPGIBWYCICBFV-SWLSCSKDSA-N	1	0	353.430	1.353	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C1CC1	ZINC001573562743	946978468	/nfs/dbraw/zinc/97/84/68/946978468.db2.gz	XCLYKXZFAGHFGG-MEDUHNTESA-N	1	0	371.420	1.492	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C(C)(C)C1	ZINC001573563025	946981923	/nfs/dbraw/zinc/98/19/23/946981923.db2.gz	YWVDLCBEIVYCSA-NHYWBVRUSA-N	1	0	371.420	1.492	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573563809	946986112	/nfs/dbraw/zinc/98/61/12/946986112.db2.gz	COUSGDNGBJPUHM-ACJLOTCBSA-N	1	0	353.430	1.355	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nn[nH]n3)cc1F)C2	ZINC001573565706	947013812	/nfs/dbraw/zinc/01/38/12/947013812.db2.gz	URDMRRWEOPTYAO-GFCCVEGCSA-N	1	0	369.404	1.200	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1	ZINC001573295336	947014130	/nfs/dbraw/zinc/01/41/30/947014130.db2.gz	PBAWHNHXCNGANH-CYBMUJFWSA-N	1	0	363.853	1.922	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CCCC1	ZINC001573296881	947057244	/nfs/dbraw/zinc/05/72/44/947057244.db2.gz	AFQDOBQYKCMODT-CQSZACIVSA-N	1	0	363.853	1.826	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573570012	947082045	/nfs/dbraw/zinc/08/20/45/947082045.db2.gz	HYKPZMUJSLTDFW-FIXISWKDSA-N	1	0	357.393	1.102	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@](C)(C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1	ZINC001573570485	947088696	/nfs/dbraw/zinc/08/86/96/947088696.db2.gz	PZMZBEINXKCZRO-XIKOKIGWSA-N	1	0	353.430	1.401	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573299305	947090476	/nfs/dbraw/zinc/09/04/76/947090476.db2.gz	SFIPRZBXOCFZAQ-QMTHXVAHSA-N	1	0	363.853	1.778	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CC1	ZINC001573575330	947137209	/nfs/dbraw/zinc/13/72/09/947137209.db2.gz	XBZMPVUSUBFVLP-BONVTDFDSA-N	1	0	357.393	1.150	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@H](C)[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573304563	947139597	/nfs/dbraw/zinc/13/95/97/947139597.db2.gz	BUOMABJCAVETAA-UONOGXRCSA-N	1	0	369.473	1.792	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)[C@H](C)C#N)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1	ZINC001573576393	947151674	/nfs/dbraw/zinc/15/16/74/947151674.db2.gz	HLLVKGMVSGYXIV-IAQYHMDHSA-N	1	0	359.409	1.396	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCCC1	ZINC001573577122	947161835	/nfs/dbraw/zinc/16/18/35/947161835.db2.gz	MLWALQAPMQATJB-CYBMUJFWSA-N	1	0	353.430	1.545	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@H]([NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CC1	ZINC001573577191	947164553	/nfs/dbraw/zinc/16/45/53/947164553.db2.gz	NEBUQBVJJSGLNL-BONVTDFDSA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)c1ccccc1	ZINC001573577996	947178439	/nfs/dbraw/zinc/17/84/39/947178439.db2.gz	WZPWXTRUOVFFHE-MLGOLLRUSA-N	1	0	362.397	1.113	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1	ZINC001573578073	947180856	/nfs/dbraw/zinc/18/08/56/947180856.db2.gz	XWBSORGZNNYGPJ-LBPRGKRZSA-N	1	0	354.418	1.144	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1C	ZINC001573583187	947201280	/nfs/dbraw/zinc/20/12/80/947201280.db2.gz	KRDNPSMBTZUJQZ-RRFJBIMHSA-N	1	0	367.457	1.601	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1C	ZINC001573584089	947210557	/nfs/dbraw/zinc/21/05/57/947210557.db2.gz	QHWTVSBZWLGADA-QJPTWQEYSA-N	1	0	359.459	1.272	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573584220	947214977	/nfs/dbraw/zinc/21/49/77/947214977.db2.gz	RLBVVFJCBYVADG-VXGBXAGGSA-N	1	0	357.393	1.104	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1C	ZINC001573584577	947228331	/nfs/dbraw/zinc/22/83/31/947228331.db2.gz	YNJKVCABOHKZEI-CKEIUWERSA-N	1	0	367.457	1.601	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573585104	947247546	/nfs/dbraw/zinc/24/75/46/947247546.db2.gz	KJHYOQXAKMURBT-VNHYZAJKSA-N	1	0	353.430	1.401	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H](C)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1	ZINC001573585446	947258092	/nfs/dbraw/zinc/25/80/92/947258092.db2.gz	PDQNXIWLPXVLGH-RYUDHWBXSA-N	1	0	373.486	1.805	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2[NH2+]Cc2cncn2C)cc1	ZINC001090864197	947356159	/nfs/dbraw/zinc/35/61/59/947356159.db2.gz	CCTMGVUBVHURPW-MDASCCDHSA-N	1	0	367.453	1.673	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2NCc2nnc(C)o2)cc1	ZINC001090866987	947361428	/nfs/dbraw/zinc/36/14/28/947361428.db2.gz	VITVQMXLGNUUQN-OAUYIBNBSA-N	1	0	369.425	1.631	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2[NH2+]CCn2cccn2)cc1	ZINC001090867070	947364891	/nfs/dbraw/zinc/36/48/91/947364891.db2.gz	ZBYMPGKYWSHZCH-AYOQOUSVSA-N	1	0	367.453	1.636	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)n2cncn2)C[C@H]1c1ccc(OC)cc1	ZINC001090869369	947383543	/nfs/dbraw/zinc/38/35/43/947383543.db2.gz	VSBGZANTHGORPO-JCGIZDLHSA-N	1	0	355.442	1.618	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn(CC)n2)C[C@H]1c1ccc(OC)cc1	ZINC001090870893	947415563	/nfs/dbraw/zinc/41/55/63/947415563.db2.gz	DQPHZHMZJBANIH-FUHWJXTLSA-N	1	0	353.426	1.138	20	30		FDEDRO
C=CCCC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573330477	947435372	/nfs/dbraw/zinc/43/53/72/947435372.db2.gz	YGAUCYHPXHRKCV-CQSZACIVSA-N	1	0	374.420	1.289	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090873023	947506201	/nfs/dbraw/zinc/50/62/01/947506201.db2.gz	XHNZICHFKNHGFA-YTQUADARSA-N	1	0	371.481	1.634	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)[C@@H](C)C1	ZINC001573343324	947554983	/nfs/dbraw/zinc/55/49/83/947554983.db2.gz	MWGKPZUECVKRKI-WMLDXEAASA-N	1	0	370.457	1.396	20	30		FDEDRO
CC(C)C1(C(=O)N[C@@H]2CN(Cc3ccc(OCC#N)cc3)C[C@H]2O)CC1	ZINC001196054189	971397779	/nfs/dbraw/zinc/39/77/79/971397779.db2.gz	OUZVFUFNUVMXBC-QZTJIDSGSA-N	1	0	357.454	1.686	20	30		FDEDRO
C=CCOCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1	ZINC001573347610	947574801	/nfs/dbraw/zinc/57/48/01/947574801.db2.gz	FCYOFVMODXJKLV-ZIAGYGMSSA-N	1	0	373.461	1.228	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CC2=CCOCC2)C[C@H]1c1ccc(OC)cc1	ZINC001090880074	947585854	/nfs/dbraw/zinc/58/58/54/947585854.db2.gz	VISJEVFJICSSIR-VQTJNVASSA-N	1	0	354.450	1.949	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1c1ccc(OC)cc1	ZINC001090884629	947647093	/nfs/dbraw/zinc/64/70/93/947647093.db2.gz	XHNXRIOTTRJBCT-RBUKOAKNSA-N	1	0	352.438	1.189	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090884808	947649838	/nfs/dbraw/zinc/64/98/38/947649838.db2.gz	MEEILPFBZOSEKU-AYOQOUSVSA-N	1	0	371.481	1.634	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1c1ccc(OC)cc1	ZINC001090885071	947656493	/nfs/dbraw/zinc/65/64/93/947656493.db2.gz	CSDHVDCYGGWHLX-FUHWJXTLSA-N	1	0	368.437	1.173	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCN2CCCC2=O)C[C@H]1c1ccc(OC)cc1	ZINC001090885584	947662618	/nfs/dbraw/zinc/66/26/18/947662618.db2.gz	XFQRASGBMLSYDY-RBUKOAKNSA-N	1	0	371.481	1.778	20	30		FDEDRO
CC(C)c1ccc([C@H]([NH3+])CNC(=O)CCNC(=O)C2N=CC=CC2=O)cc1	ZINC000844164400	947808784	/nfs/dbraw/zinc/80/87/84/947808784.db2.gz	GJQAPITYZSFUKG-ZBBYCGENSA-N	1	0	370.453	1.843	20	30		FDEDRO
C[C@H](Sc1ncccc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N)C(=O)N1CCCC1	ZINC000844195009	947819562	/nfs/dbraw/zinc/81/95/62/947819562.db2.gz	PASRNMFVKWTLRT-GUTXKFCHSA-N	1	0	373.482	1.026	20	30		FDEDRO
C#CC(=O)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1	ZINC001143906854	947979898	/nfs/dbraw/zinc/97/98/98/947979898.db2.gz	AILOLOSMVHCKDD-PZJWPPBQSA-N	1	0	353.466	1.792	20	30		FDEDRO
C#CCNC(=O)CC[N@@H+](Cc1cc(C)c(C)c(S(N)(=O)=O)c1)C1CC1	ZINC000844392605	948024268	/nfs/dbraw/zinc/02/42/68/948024268.db2.gz	AFHPRJBYOCCEMO-UHFFFAOYSA-N	1	0	363.483	1.055	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](OCC)C1	ZINC000844408869	948061970	/nfs/dbraw/zinc/06/19/70/948061970.db2.gz	JTGQNSAPUPEUPR-RBSFLKMASA-N	1	0	355.479	1.539	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-n3cccn3)ccn2)C1	ZINC001196097683	971455782	/nfs/dbraw/zinc/45/57/82/971455782.db2.gz	NKWQFDZSAAVAFC-BMGDILEWSA-N	1	0	355.442	1.397	20	30		FDEDRO
Cn1cc(N2CC[C@@]3(CCC[N@H+](Cc4ccc(C#N)cn4)C3)C2=O)cn1	ZINC001144160659	948305842	/nfs/dbraw/zinc/30/58/42/948305842.db2.gz	QEXVQWGJKKIPAD-LJQANCHMSA-N	1	0	350.426	1.706	20	30		FDEDRO
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(CC[NH+](C)C)C(=O)C1	ZINC000844761592	948368570	/nfs/dbraw/zinc/36/85/70/948368570.db2.gz	MYJKAXBCEZNCPE-UHFFFAOYSA-N	1	0	369.425	1.096	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC([NH2+]Cc2nnc(C)n2CC)C1	ZINC001091034192	948557986	/nfs/dbraw/zinc/55/79/86/948557986.db2.gz	DONKVTYQGNOBPQ-BACDZXNISA-N	1	0	361.490	1.572	20	30		FDEDRO
Cn1ncc(CCC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1	ZINC000845002122	948582464	/nfs/dbraw/zinc/58/24/64/948582464.db2.gz	HYBJMQZKBWSPKQ-UHFFFAOYSA-N	1	0	352.442	1.400	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)c1nccn(Cc2ccc(F)cc2)c1=O	ZINC001196124516	971496629	/nfs/dbraw/zinc/49/66/29/971496629.db2.gz	CCVYDIGIHJIZSQ-KRWDZBQOSA-N	1	0	370.428	1.811	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NOC[C@@H]3CCOC3)CC2)c1	ZINC000845142456	948727688	/nfs/dbraw/zinc/72/76/88/948727688.db2.gz	NZVOQPWVFYXQKW-QGZVFWFLSA-N	1	0	358.442	1.790	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2C(F)(F)F)C1	ZINC001196152508	971505896	/nfs/dbraw/zinc/50/58/96/971505896.db2.gz	VOOQWZPUAUQCKE-MVWJERBFSA-N	1	0	360.380	1.867	20	30		FDEDRO
N#CC1(NC(=O)c2ccnc(CO)c2)CC[NH+](Cc2ccccc2)CC1	ZINC001196247229	971567490	/nfs/dbraw/zinc/56/74/90/971567490.db2.gz	LWQRYKOPBGYSHD-UHFFFAOYSA-N	1	0	350.422	1.862	20	30		FDEDRO
C[C@H]([NH3+])CCNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000857114203	971587099	/nfs/dbraw/zinc/58/70/99/971587099.db2.gz	PMTCTJNKXIDJRJ-ZDUSSCGKSA-N	1	0	355.446	1.295	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cc(Br)c[nH]c2=O)CC1	ZINC000857135022	971597650	/nfs/dbraw/zinc/59/76/50/971597650.db2.gz	XXUVEIMJJZPEKN-UHFFFAOYSA-N	1	0	352.232	1.767	20	30		FDEDRO
C=C(C)CONC(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1	ZINC000845610645	949751920	/nfs/dbraw/zinc/75/19/20/949751920.db2.gz	GAUFLCHJTDNMHM-UHFFFAOYSA-N	1	0	360.458	1.691	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCCNC(=O)C3)CC2)c1	ZINC000845737456	949871484	/nfs/dbraw/zinc/87/14/84/949871484.db2.gz	HQJGVSZTOVKTDP-UHFFFAOYSA-N	1	0	355.442	1.054	20	30		FDEDRO
C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1cc(C#N)ccc1F	ZINC001574977564	950123608	/nfs/dbraw/zinc/12/36/08/950123608.db2.gz	LGSLHGZZWVJMKZ-SNVBAGLBSA-N	1	0	368.376	1.114	20	30		FDEDRO
C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1	ZINC001574982359	950164519	/nfs/dbraw/zinc/16/45/19/950164519.db2.gz	BJUYTTSRPDCEKO-JTQLQIEISA-N	1	0	368.376	1.114	20	30		FDEDRO
CC(C)(C)[C@]1(CN=NC2=NC(=O)C(=O)N2)CC[N@H+](Cc2ccccc2)C1	ZINC000857212105	971651102	/nfs/dbraw/zinc/65/11/02/971651102.db2.gz	SHXITNGATJEQSW-IBGZPJMESA-N	1	0	355.442	1.513	20	30		FDEDRO
C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1ccccc1C#N	ZINC001574746387	950396187	/nfs/dbraw/zinc/39/61/87/950396187.db2.gz	ODSQEGTUKKSIGT-GFCCVEGCSA-N	1	0	364.413	1.317	20	30		FDEDRO
COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2[C@@H](C)Cc2cccc(C#N)c2)O1	ZINC001171212228	950516687	/nfs/dbraw/zinc/51/66/87/950516687.db2.gz	KRGWDXLDOGUSGS-PIKADFDJSA-N	1	0	357.454	1.484	20	30		FDEDRO
C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@H]2[C@@H]1CC(=O)N2CC(=O)N(C)C	ZINC001171218330	950678695	/nfs/dbraw/zinc/67/86/95/950678695.db2.gz	UPFLYSLYYDLZMN-WBAXXEDZSA-N	1	0	354.454	1.253	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1nnn(Cc2ccc(OC)cc2)c1C	ZINC000846227567	950745821	/nfs/dbraw/zinc/74/58/21/950745821.db2.gz	CPVHGLMVIAEIPJ-UHFFFAOYSA-N	1	0	355.442	1.328	20	30		FDEDRO
C[C@H](CNC(=O)c1ccc(C#N)[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F	ZINC001575020179	951053544	/nfs/dbraw/zinc/05/35/44/951053544.db2.gz	ZMXNLTKCLRHHEY-SNVBAGLBSA-N	1	0	368.376	1.114	20	30		FDEDRO
Cc1nc(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)c[nH]c1=O	ZINC001196528446	971736381	/nfs/dbraw/zinc/73/63/81/971736381.db2.gz	FAQIFYXJTYZTAL-QAQDUYKDSA-N	1	0	365.437	1.862	20	30		FDEDRO
Cc1[nH]nc(NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)c1C#N	ZINC000846641208	951399754	/nfs/dbraw/zinc/39/97/54/951399754.db2.gz	ZNCPNKDWTYLLGR-GFCCVEGCSA-N	1	0	350.423	1.373	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NCCC2(C[NH3+])CC2)ccc1F	ZINC000846692584	951457436	/nfs/dbraw/zinc/45/74/36/951457436.db2.gz	UKXCKSVDDXGFIC-UHFFFAOYSA-N	1	0	355.435	1.149	20	30		FDEDRO
C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1	ZINC000846720022	951482985	/nfs/dbraw/zinc/48/29/85/951482985.db2.gz	CWZQNMCDDNAANN-QAPCUYQASA-N	1	0	372.469	1.041	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C(C)C)C2	ZINC001110116363	951544540	/nfs/dbraw/zinc/54/45/40/951544540.db2.gz	HTDKFJOLUKOJGU-OWSLCNJRSA-N	1	0	363.502	1.558	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@]34CCC[C@H]3OCC4)c2)C1	ZINC001091401252	951575830	/nfs/dbraw/zinc/57/58/30/951575830.db2.gz	WXKWJSCKPWEXQB-ZVDOUQERSA-N	1	0	369.465	1.743	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@@H]3CCO[C@H]3CC)c2)C1	ZINC001091404462	951597778	/nfs/dbraw/zinc/59/77/78/951597778.db2.gz	JVZQNNBRPVZYBI-ZCNNSNEGSA-N	1	0	371.481	1.989	20	30		FDEDRO
CCOC(=O)C1CC[NH+](C2CCN(C(=O)c3ncccc3C#N)CC2)CC1	ZINC001196551313	971770895	/nfs/dbraw/zinc/77/08/95/971770895.db2.gz	DKKSNGBTASZBKY-UHFFFAOYSA-N	1	0	370.453	1.833	20	30		FDEDRO
Cc1ccc(N(CCC#N)C(=O)CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1C	ZINC000847040133	951791410	/nfs/dbraw/zinc/79/14/10/951791410.db2.gz	NUOJLTOVZQNFEF-RBUKOAKNSA-N	1	0	356.470	1.301	20	30		FDEDRO
Cc1ccc(NC(=[NH2+])c2ccc(C(N)=O)cc2)c(CN2CCOCC2)c1	ZINC001171261383	951793828	/nfs/dbraw/zinc/79/38/28/951793828.db2.gz	XXRFFYMEKABAKW-UHFFFAOYSA-N	1	0	352.438	1.963	20	30		FDEDRO
C[C@]12CN(C(=O)C3=COCCO3)C[C@H]1C[N@H+](Cc1cc(C#N)ccc1F)C2	ZINC001091456744	951816098	/nfs/dbraw/zinc/81/60/98/951816098.db2.gz	LXHSNFSOOFUDBT-UZLBHIALSA-N	1	0	371.412	1.866	20	30		FDEDRO
C[C@H](CNC(=O)c1cc(C#N)c[nH]1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1	ZINC001575101091	951853648	/nfs/dbraw/zinc/85/36/48/951853648.db2.gz	ZHSMMXXBUWAJTM-JTQLQIEISA-N	1	0	370.442	1.284	20	30		FDEDRO
Cc1c(C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@@]3(C)C2)nnn1C	ZINC001091561919	952074370	/nfs/dbraw/zinc/07/43/70/952074370.db2.gz	NWTQVSQWNXWRPB-ACJLOTCBSA-N	1	0	370.482	1.651	20	30		FDEDRO
CN1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@@]3(C)C2)C1	ZINC001091565614	952092189	/nfs/dbraw/zinc/09/21/89/952092189.db2.gz	SMXUKQMLFGFEOZ-SBHAEUEKSA-N	1	0	368.481	1.169	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@]3(C)C2)nn1	ZINC001091606009	952237626	/nfs/dbraw/zinc/23/76/26/952237626.db2.gz	FJSZBSZIAZIPMU-YJYMSZOUSA-N	1	0	366.425	1.279	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@]3(C)C2)cn1	ZINC001091607751	952258440	/nfs/dbraw/zinc/25/84/40/952258440.db2.gz	IJJCBGLVMYDWFJ-UZLBHIALSA-N	1	0	365.437	1.884	20	30		FDEDRO
C[C@H](C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@@]2(C)C1)n1cncn1	ZINC001091610170	952278627	/nfs/dbraw/zinc/27/86/27/952278627.db2.gz	HFNBDUGWTDFZEK-ZTNFWEORSA-N	1	0	364.453	1.691	20	30		FDEDRO
COc1nccc(C[N@@H+]2C[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@]3(C)C2)n1	ZINC001091612776	952285554	/nfs/dbraw/zinc/28/55/54/952285554.db2.gz	CUQUJUHPLLGATE-KUHUBIRLSA-N	1	0	366.425	1.279	20	30		FDEDRO
Cn1cc(CC[N@@H+]2C[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@]3(C)C2)cn1	ZINC001091613388	952306774	/nfs/dbraw/zinc/30/67/74/952306774.db2.gz	WKQIHTSJBSIYGX-APWZRJJASA-N	1	0	352.442	1.256	20	30		FDEDRO
C#CCN1CCCN(C(=O)CCc2ccc(OCC[NH+](C)C)cc2)CC1	ZINC001147291214	952366035	/nfs/dbraw/zinc/36/60/35/952366035.db2.gz	MDRKJJPGFAMQSD-UHFFFAOYSA-N	1	0	357.498	1.727	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@@]2(C)C1	ZINC001091736812	952764004	/nfs/dbraw/zinc/76/40/04/952764004.db2.gz	DKOLMFYFFGDCAN-QINHECLXSA-N	1	0	358.486	1.545	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)Cc3ccc4c(c3)NC(=O)C4)C[C@]2(C)C1	ZINC001091747462	952784437	/nfs/dbraw/zinc/78/44/37/952784437.db2.gz	MFOXLALFCQAKNF-UTKZUKDTSA-N	1	0	351.450	1.527	20	30		FDEDRO
C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[C@@H]3N3CCCC3=O)C[C@]2(C)C1	ZINC001091750042	952790021	/nfs/dbraw/zinc/79/00/21/952790021.db2.gz	VMFWHUJSIUMLNY-WIRSXHRWSA-N	1	0	357.498	1.581	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3conc3CC)C[C@@]2(C)C1	ZINC001091748706	952794542	/nfs/dbraw/zinc/79/45/42/952794542.db2.gz	WIACSSZCKINUMG-LMNJBCLMSA-N	1	0	370.497	1.615	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sc(N(C)C)nc2C)C1	ZINC001196710253	971875767	/nfs/dbraw/zinc/87/57/67/971875767.db2.gz	XKTAJRTYRXENJS-MRVWCRGKSA-N	1	0	352.504	1.647	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccnn3CC(F)(F)F)C[C@]2(C)C1	ZINC001091763228	952848442	/nfs/dbraw/zinc/84/84/42/952848442.db2.gz	DCBHGIJAEJOIOR-CJNGLKHVSA-N	1	0	354.376	1.863	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnnn2C)C1	ZINC001086849632	952855772	/nfs/dbraw/zinc/85/57/72/952855772.db2.gz	SWUPZWCWGCNKQT-LSDHHAIUSA-N	1	0	370.457	1.463	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3CCF)C2)cn1	ZINC001086857763	952876156	/nfs/dbraw/zinc/87/61/56/952876156.db2.gz	VDCVIPALEQJYKR-WMLDXEAASA-N	1	0	370.432	1.312	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cccc(C(=O)NC)n2)C1	ZINC001086866508	952898411	/nfs/dbraw/zinc/89/84/11/952898411.db2.gz	PVGNXFZTZACLJN-QWHCGFSZSA-N	1	0	350.850	1.682	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H]3CCCN(C)C3=O)C2)nc1	ZINC001086857141	952903959	/nfs/dbraw/zinc/90/39/59/952903959.db2.gz	MSTNREYMHJKCCE-JZXOWHBKSA-N	1	0	354.454	1.172	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3C(C)C)C2)cn1	ZINC001086857289	952904440	/nfs/dbraw/zinc/90/44/40/952904440.db2.gz	VBMLEXSRBZRVMR-WMLDXEAASA-N	1	0	367.457	1.319	20	30		FDEDRO
Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2c2cnn(C)c2)cn1	ZINC001086978607	952991031	/nfs/dbraw/zinc/99/10/31/952991031.db2.gz	GBMHAEFRYBQXSR-RBUKOAKNSA-N	1	0	364.453	1.016	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3nccn3C2)C[C@H]1c1cnn(C)c1	ZINC001086985091	953001204	/nfs/dbraw/zinc/00/12/04/953001204.db2.gz	TVTXGLNNKYEJHG-RYQLBKOJSA-N	1	0	368.485	1.339	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCn3nccc32)C[C@H]1c1cnn(C)c1	ZINC001086985172	953001216	/nfs/dbraw/zinc/00/12/16/953001216.db2.gz	XDOZNJRJIVEFNA-IXDOHACOSA-N	1	0	354.458	1.264	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2nc(C(C)C)no2)C[C@H]1c1cnn(C)c1	ZINC001086989829	953015501	/nfs/dbraw/zinc/01/55/01/953015501.db2.gz	WINRHMIYJVCTGK-JKSUJKDBSA-N	1	0	370.457	1.077	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnc3cc(C)ccn32)C[C@H]1c1cnn(C)c1	ZINC001086980617	953030545	/nfs/dbraw/zinc/03/05/45/953030545.db2.gz	LDEKXWYLZHONQF-DLBZAZTESA-N	1	0	364.453	1.760	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccnn2C(F)F)C[C@H]1c1cnn(C)c1	ZINC001086981182	953032069	/nfs/dbraw/zinc/03/20/69/953032069.db2.gz	UAXZIMUZCMZZCU-UONOGXRCSA-N	1	0	364.400	1.786	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCC3)C[C@H]1c1cnn(C)c1	ZINC001086981709	953033279	/nfs/dbraw/zinc/03/32/79/953033279.db2.gz	ZCBPZCMZPMPXNS-FUHWJXTLSA-N	1	0	354.458	1.337	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)cc2F)C[C@H]1c1cnn(C)c1	ZINC001086981828	953034002	/nfs/dbraw/zinc/03/40/02/953034002.db2.gz	FWUYXBJEVFCYSQ-PKOBYXMFSA-N	1	0	369.444	1.456	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2c(C)[nH]nc2Cl)C[C@H]1c1cnn(C)c1	ZINC001086982072	953034664	/nfs/dbraw/zinc/03/46/64/953034664.db2.gz	RWXLFROFZKKYAF-UONOGXRCSA-N	1	0	362.865	1.879	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(F)c(OC)c2)C[C@H]1c1cnn(C)c1	ZINC001086998449	953042646	/nfs/dbraw/zinc/04/26/46/953042646.db2.gz	MEMQZVWSPWIORO-DOTOQJQBSA-N	1	0	356.401	1.399	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3cc(F)ccc3O2)C[C@H]1c1cnn(C)c1	ZINC001086999510	953046809	/nfs/dbraw/zinc/04/68/09/953046809.db2.gz	JMNAIIBINFTAAQ-YQVWRLOYSA-N	1	0	368.412	1.080	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c(C)noc2C)C[C@H]1c1cnn(C)c1	ZINC001087000739	953052333	/nfs/dbraw/zinc/05/23/33/953052333.db2.gz	MFYPCFNQYDJLFC-FASAQXTFSA-N	1	0	371.485	1.974	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc(C)nc2C(C)C)C[C@H]1c1cnn(C)c1	ZINC001087000970	953052912	/nfs/dbraw/zinc/05/29/12/953052912.db2.gz	XQNXOMFUQNAURW-ZWKOTPCHSA-N	1	0	366.469	1.473	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc3sccc3[nH]2)C[C@H]1c1cnn(C)c1	ZINC001087004674	953062805	/nfs/dbraw/zinc/06/28/05/953062805.db2.gz	MPVJMULUJPHZCR-XJKSGUPXSA-N	1	0	353.451	1.794	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c(OC)cccc2OC)C[C@H]1c1cnn(C)c1	ZINC001087007324	953092985	/nfs/dbraw/zinc/09/29/85/953092985.db2.gz	YZULZQPXPKRPRC-JKSUJKDBSA-N	1	0	370.453	1.821	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)c2[nH]cnc2CC)C[C@H]1c1cnn(C)c1	ZINC001087007596	953093251	/nfs/dbraw/zinc/09/32/51/953093251.db2.gz	LRMARQFJIMOABQ-DZGCQCFKSA-N	1	0	362.865	1.656	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COc2cc(C)cc(C)c2)C[C@H]1c1cnn(C)c1	ZINC001087009173	953097261	/nfs/dbraw/zinc/09/72/61/953097261.db2.gz	TYAYDNXZHGSRCO-VQTJNVASSA-N	1	0	366.465	1.633	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc3cnccc32)C[C@H]1c1cnn(C)c1	ZINC001087009680	953099382	/nfs/dbraw/zinc/09/93/82/953099382.db2.gz	SHROCIHGCZSYBW-VQTJNVASSA-N	1	0	359.433	1.799	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cccc(F)c2)C[C@H]1c1cnn(C)c1	ZINC001087010542	953101773	/nfs/dbraw/zinc/10/17/73/953101773.db2.gz	GDOVTFVLTVAGLM-ZOCIIQOWSA-N	1	0	354.429	1.880	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2ccc(F)cc2)C[C@H]1c1cnn(C)c1	ZINC001087011541	953104452	/nfs/dbraw/zinc/10/44/52/953104452.db2.gz	BOWSKWJMJVMRBM-RYGJVYDSSA-N	1	0	368.456	1.955	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2COc3ccccc32)C[C@H]1c1cnn(C)c1	ZINC001087012281	953106442	/nfs/dbraw/zinc/10/64/42/953106442.db2.gz	OWVXNIUYSYFLHN-OKZBNKHCSA-N	1	0	350.422	1.114	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C)n2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087035159	953144144	/nfs/dbraw/zinc/14/41/44/953144144.db2.gz	ODEGFETZWVCHSK-IEBWSBKVSA-N	1	0	367.453	1.857	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)Cc2ccon2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087036279	953147305	/nfs/dbraw/zinc/14/73/05/953147305.db2.gz	HEAZBLZTFCQYFK-IEBWSBKVSA-N	1	0	368.437	1.742	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+][C@H](C)c1ncccn1	ZINC001087039772	953155604	/nfs/dbraw/zinc/15/56/04/953155604.db2.gz	DEXJWACFCNBNIX-FRFSOERESA-N	1	0	368.441	1.504	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1cccnc1C	ZINC001087045839	953159481	/nfs/dbraw/zinc/15/94/81/953159481.db2.gz	WTAOWLYQEUXJHY-VQIMIIECSA-N	1	0	367.453	1.857	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1cc(C)no1	ZINC001087045521	953171004	/nfs/dbraw/zinc/17/10/04/953171004.db2.gz	LFNSJDOCGTWKKL-RHSMWYFYSA-N	1	0	357.414	1.450	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1csc(CC)n1	ZINC001087034465	953172397	/nfs/dbraw/zinc/17/23/97/953172397.db2.gz	GOSFAGAFHCJQJL-GZBFAFLISA-N	1	0	350.488	1.818	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1cncc(F)c1	ZINC001087046902	953194903	/nfs/dbraw/zinc/19/49/03/953194903.db2.gz	HCYJIGMPPHSYAT-CRAIPNDOSA-N	1	0	371.416	1.687	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]Cc2cnon2)[C@H](OCC)C1	ZINC001087059732	953201862	/nfs/dbraw/zinc/20/18/62/953201862.db2.gz	SHWHORGOYFVDLG-RHSMWYFYSA-N	1	0	359.430	1.324	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2CCC)[C@H](OCC)C1	ZINC001087071978	953226274	/nfs/dbraw/zinc/22/62/74/953226274.db2.gz	MTFQFQYVMFHYFW-HUUCEWRRSA-N	1	0	364.494	1.248	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H]2CCN(CC)C2=O)[C@H](OCC)C1	ZINC001087071775	953226616	/nfs/dbraw/zinc/22/66/16/953226616.db2.gz	CSGLHLWTIPJOEO-OWCLPIDISA-N	1	0	351.491	1.273	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+][C@H]3CCCN(C)C3=O)[C@H](OCC)C2)C1	ZINC001087082697	953241403	/nfs/dbraw/zinc/24/14/03/953241403.db2.gz	WMLMFUSZIBLDQI-IXDOHACOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2coc(C)n2)[C@H](OCC)C1	ZINC001087085475	953246881	/nfs/dbraw/zinc/24/68/81/953246881.db2.gz	HCDKUGKZYPKEAP-NRSFXHEJSA-N	1	0	363.458	1.527	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCCCOC)C[C@H]1O	ZINC001196790876	971916381	/nfs/dbraw/zinc/91/63/81/971916381.db2.gz	SLCYEUHULKASEE-MLHJIOFPSA-N	1	0	354.491	1.336	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cncs3)[C@H](OCC)C2)nc1	ZINC001087097460	953284877	/nfs/dbraw/zinc/28/48/77/953284877.db2.gz	QTALGTRRSGVDHH-CRAIPNDOSA-N	1	0	370.478	1.786	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc4c(c3)N(C)CCO4)C[C@]2(C)C1	ZINC001091784058	953301283	/nfs/dbraw/zinc/30/12/83/953301283.db2.gz	NWXLCKWANWXJKU-UTKZUKDTSA-N	1	0	353.466	1.932	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3cccc(OC)c32)C1	ZINC001196773789	971925925	/nfs/dbraw/zinc/92/59/25/971925925.db2.gz	ZBULELRBQTWHDL-BRWVUGGUSA-N	1	0	360.454	1.089	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CCN1c1nccnc1C#N	ZINC001091826324	953501726	/nfs/dbraw/zinc/50/17/26/953501726.db2.gz	SFVJGZLYOJLHPN-GOEBONIOSA-N	1	0	358.490	1.800	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4nncn4CC3)C[C@]2(C)C1	ZINC001091864992	953607194	/nfs/dbraw/zinc/60/71/94/953607194.db2.gz	CNCSPGUAFGLTIG-HLIPFELVSA-N	1	0	357.502	1.977	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3coc4c3C(=O)NCCC4)C[C@]2(C)C1	ZINC001091870755	953628480	/nfs/dbraw/zinc/62/84/80/953628480.db2.gz	GEYSVICHNXEUHP-VLIAUNLRSA-N	1	0	355.438	1.373	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@@]2(C)C1	ZINC001091910797	953696719	/nfs/dbraw/zinc/69/67/19/953696719.db2.gz	HYXVXVJGGLCASV-UWVAXJGDSA-N	1	0	360.502	1.627	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cnc4cc(C)nn4c3C)C[C@]2(C)C1	ZINC001091899124	953741436	/nfs/dbraw/zinc/74/14/36/953741436.db2.gz	IYPHLCTWZIRVPX-UZLBHIALSA-N	1	0	351.454	1.763	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)C4(C)CC(=C)C4)C[C@]3(C)C2)C1=O	ZINC001091995969	953910920	/nfs/dbraw/zinc/91/09/20/953910920.db2.gz	NTKODCANTPNSNL-LZJOCLMNSA-N	1	0	357.498	1.910	20	30		FDEDRO
CCCCCC[N@H+](C)CC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)[C@@H]1C	ZINC001092001255	953929445	/nfs/dbraw/zinc/92/94/45/953929445.db2.gz	YSXJDAMPKNCFCI-WBVHZDCISA-N	1	0	358.490	1.944	20	30		FDEDRO
Cc1cc(N2CC[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)[C@H]2C)c(C#N)cn1	ZINC001091972541	953957920	/nfs/dbraw/zinc/95/79/20/953957920.db2.gz	ICXRNAFEPYSOQB-LESCRADOSA-N	1	0	371.485	1.313	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)[C@@H]1C)[NH+]1CCCCC1	ZINC001091979439	953976641	/nfs/dbraw/zinc/97/66/41/953976641.db2.gz	FEVWLIGFMYOPMH-JTDSTZFVSA-N	1	0	370.501	1.942	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)CN3c4ccccc4CC3=O)C[C@]2(C)C1	ZINC001092047513	954030049	/nfs/dbraw/zinc/03/00/49/954030049.db2.gz	CLCSJNGHGZGPMP-UTKZUKDTSA-N	1	0	353.466	1.932	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1CCN(c2nc(C)cc(C#N)n2)[C@@H]1C	ZINC001092017528	954072636	/nfs/dbraw/zinc/07/26/36/954072636.db2.gz	CYLYQHLLOACCCB-BMFZPTHFSA-N	1	0	362.453	1.420	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CCN1c1ccnc(C#N)n1	ZINC001092028285	954123468	/nfs/dbraw/zinc/12/34/68/954123468.db2.gz	AGAUETPSGMQQDI-CVEARBPZSA-N	1	0	370.501	1.944	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N3CCCC3)nc2)C1	ZINC001196969686	971991746	/nfs/dbraw/zinc/99/17/46/971991746.db2.gz	MWVCPJPJKREKLD-CGTJXYLNSA-N	1	0	358.486	1.811	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cncc(N4CCCC4)n3)C[C@]2(C)C1	ZINC001092073800	954212561	/nfs/dbraw/zinc/21/25/61/954212561.db2.gz	VZHZMWFLHQQBJP-UZLBHIALSA-N	1	0	353.470	1.494	20	30		FDEDRO
Cn1ncc(C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)c(F)c4)C[C@@]3(C)C2)n1	ZINC001092096570	954281846	/nfs/dbraw/zinc/28/18/46/954281846.db2.gz	AZTAUUFMZVLTIH-BEFAXECRSA-N	1	0	368.416	1.420	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3cccc(-n4cncn4)n3)C[C@]2(C)C1	ZINC001092148621	954392764	/nfs/dbraw/zinc/39/27/64/954392764.db2.gz	FDFYRIAJNBLXAY-BEFAXECRSA-N	1	0	352.442	1.632	20	30		FDEDRO
Cn1cncc1CC(=O)N1C[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@@]2(C)C1	ZINC001092200979	954523822	/nfs/dbraw/zinc/52/38/22/954523822.db2.gz	SPXAZRMKIPJUGQ-NQIIRXRSSA-N	1	0	363.465	1.815	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3n[nH]c(=O)c4ccccc43)C[C@]2(C)C1	ZINC001092219950	954553306	/nfs/dbraw/zinc/55/33/06/954553306.db2.gz	NXBPLJMMODNJMS-VLIAUNLRSA-N	1	0	350.422	1.753	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+](Cc4nccnc4C)C[C@@]3(C)C2)cn1	ZINC001092211842	954618814	/nfs/dbraw/zinc/61/88/14/954618814.db2.gz	QANFUASZJCLMJO-UTKZUKDTSA-N	1	0	361.449	1.755	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+]([C@H]4CCN(CC)C4=O)C[C@@]3(C)C2)nc1	ZINC001092211516	954619045	/nfs/dbraw/zinc/61/90/45/954619045.db2.gz	HQYNSMFWGUJXLG-MMOPVJDHSA-N	1	0	366.465	1.078	20	30		FDEDRO
C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)c3ccc(=O)n(CCC)n3)C[C@]2(C)C1	ZINC001092267323	954636240	/nfs/dbraw/zinc/63/62/40/954636240.db2.gz	UFPQYYROABEYGG-KDOFPFPSSA-N	1	0	364.877	1.800	20	30		FDEDRO
C=C(Br)CN1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1	ZINC001092272535	954653626	/nfs/dbraw/zinc/65/36/26/954653626.db2.gz	FNJATSAFHWFEDH-FMKPAKJESA-N	1	0	356.308	1.627	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)C3CCN(C(=O)CCC)CC3)C[C@]2(C)C1	ZINC001092297279	954733274	/nfs/dbraw/zinc/73/32/74/954733274.db2.gz	RYIUANQYCWVAJD-NQIIRXRSSA-N	1	0	359.514	1.829	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc4c(C)nn(C)c4n3)C[C@]2(C)C1	ZINC001092305000	954768199	/nfs/dbraw/zinc/76/81/99/954768199.db2.gz	VWPQWUXRPRMDMN-QRWLVFNGSA-N	1	0	351.454	1.694	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@]3(C)C2)n1	ZINC001092305382	954768757	/nfs/dbraw/zinc/76/87/57/954768757.db2.gz	NSXRGEWSSHMBJU-QRWLVFNGSA-N	1	0	370.501	1.537	20	30		FDEDRO
C[N@H+](CC(=O)N1C[C@H]2CN(c3ccnc(C#N)n3)C[C@@]2(C)C1)CC(C)(C)C	ZINC001092307428	954775304	/nfs/dbraw/zinc/77/53/04/954775304.db2.gz	XBMPUCKWAGRRHN-QRWLVFNGSA-N	1	0	370.501	1.611	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CCC([NH2+]Cc2nncn2C)CC1	ZINC000964021816	1013128949	/nfs/dbraw/zinc/12/89/49/1013128949.db2.gz	IQFFQVXWHCPCLW-OBQMCRIKSA-N	1	0	361.490	1.656	20	30		FDEDRO
C[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H]1CNC(=O)C[NH+]1CCCC1	ZINC001092364515	954936592	/nfs/dbraw/zinc/93/65/92/954936592.db2.gz	RHFXGJZNZZHBOC-VXGBXAGGSA-N	1	0	367.906	1.952	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CNC(=O)CCCC[NH+]1CCCC1	ZINC001092378349	954971246	/nfs/dbraw/zinc/97/12/46/954971246.db2.gz	FJHNETKOUOSIIE-IAGOWNOFSA-N	1	0	370.501	1.803	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC2(C[NH+](CC3CC3)C2)n2ccnc21	ZINC001092369538	955038296	/nfs/dbraw/zinc/03/82/96/955038296.db2.gz	DNOAFMASPMMUCM-IKGGRYGDSA-N	1	0	356.470	1.846	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1	ZINC001092423477	955060290	/nfs/dbraw/zinc/06/02/90/955060290.db2.gz	LYTRPJVEMRJCDC-OGWOLHLISA-N	1	0	368.485	1.411	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)C1=COCCO1	ZINC001092436510	955093934	/nfs/dbraw/zinc/09/39/34/955093934.db2.gz	JISWIUXPJARUEK-CZUORRHYSA-N	1	0	359.401	1.770	20	30		FDEDRO
CC[C@H](C(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C)[NH+](CC)CC	ZINC001092442817	955110379	/nfs/dbraw/zinc/11/03/79/955110379.db2.gz	ZCYJGKRJOWQFFB-BZUAXINKSA-N	1	0	358.490	1.657	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3oc(C)nc3C)[C@H](C)C2)C1=O	ZINC001092523653	955322011	/nfs/dbraw/zinc/32/20/11/955322011.db2.gz	LMIBIOZVVSTOLX-DAXOMENPSA-N	1	0	360.458	1.376	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](CNC(=O)[C@H]3CCOC3)[C@H](C)C2)c1	ZINC001092495275	955358873	/nfs/dbraw/zinc/35/88/73/955358873.db2.gz	FZNALFXGSFMHPO-BPQIPLTHSA-N	1	0	369.465	1.327	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC001092551333	955402485	/nfs/dbraw/zinc/40/24/85/955402485.db2.gz	XIHZDPDREYDSRT-SUMDDJOVSA-N	1	0	366.465	1.788	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)c1cnn(C)c1N	ZINC001092557018	955436894	/nfs/dbraw/zinc/43/68/94/955436894.db2.gz	CNTHZDCTFWESTC-IUODEOHRSA-N	1	0	370.432	1.511	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3ccc(F)cn3)[C@H](C)C2)C1=O	ZINC001092560171	955452455	/nfs/dbraw/zinc/45/24/55/955452455.db2.gz	KANATTGLZJPZTD-CKEIUWERSA-N	1	0	360.433	1.305	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CCNC(=O)C(C)(C)[NH+]1CCCC1	ZINC001092563237	955467119	/nfs/dbraw/zinc/46/71/19/955467119.db2.gz	KGTMSVNIESCYCT-HZPDHXFCSA-N	1	0	370.501	1.801	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CCNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001092531702	955492459	/nfs/dbraw/zinc/49/24/59/955492459.db2.gz	PHLUQFCLYZKMHR-BZUAXINKSA-N	1	0	356.474	1.269	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CCNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001092531653	955492507	/nfs/dbraw/zinc/49/25/07/955492507.db2.gz	MZCQRBXUGYDSQX-OWCLPIDISA-N	1	0	356.474	1.269	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC001092532208	955497849	/nfs/dbraw/zinc/49/78/49/955497849.db2.gz	QSPFOBVCGUGIEP-LSBZLQRGSA-N	1	0	352.438	1.918	20	30		FDEDRO
C[C@@H]1CN(c2ncccc2C#N)C[C@H]1CCNC(=O)COCC[NH+](C)C	ZINC001092532748	955500373	/nfs/dbraw/zinc/50/03/73/955500373.db2.gz	QRAWPMFBSLENFR-NVXWUHKLSA-N	1	0	359.474	1.110	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCC[C@@H]2CN(c3nccnc3C#N)C[C@H]2C)CC[N@@H+]1C	ZINC001092598350	955603423	/nfs/dbraw/zinc/60/34/23/955603423.db2.gz	YHVKPUHNNLRLCJ-KLHDSHLOSA-N	1	0	356.474	1.267	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CNC(=O)c2cn(C)nn2)[C@H](C)C1	ZINC001092579676	955712555	/nfs/dbraw/zinc/71/25/55/955712555.db2.gz	DDRHBOABULYAHU-CZUORRHYSA-N	1	0	368.441	1.193	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)c1cn(C)nn1	ZINC001092580132	955713816	/nfs/dbraw/zinc/71/38/16/955713816.db2.gz	QLAXSUJNAQYNEE-IUODEOHRSA-N	1	0	356.405	1.324	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)NCC[C@@H]2CN(c3ncccc3C#N)C[C@H]2C)C1	ZINC001092584115	955729497	/nfs/dbraw/zinc/72/94/97/955729497.db2.gz	HPOTXOUZZZQEDV-JFIYKMOQSA-N	1	0	355.486	1.874	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cc3n(n2)CCC3)C[C@H]1C	ZINC001092617161	955829943	/nfs/dbraw/zinc/82/99/43/955829943.db2.gz	DMHIECOXWIPBRJ-SMOSDQRPSA-N	1	0	372.513	1.995	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CCNc1cnc(C#N)cn1	ZINC001092626350	955878648	/nfs/dbraw/zinc/87/86/48/955878648.db2.gz	OYSSLVDSUYLDLX-HUUCEWRRSA-N	1	0	356.474	1.587	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)NC[C@]23CCC[C@H]2N(c2nccnc2C#N)CC3)C1	ZINC001092700705	956090000	/nfs/dbraw/zinc/09/00/00/956090000.db2.gz	IPVVJFJMOBROGK-WRWLIDTKSA-N	1	0	368.485	1.555	20	30		FDEDRO
CC(C)[C@H](C(=O)NC[C@]12CCC[C@H]1N(c1nccnc1C#N)CC2)[NH+](C)C	ZINC001092700947	956091573	/nfs/dbraw/zinc/09/15/73/956091573.db2.gz	NNGQMQFJTMKVAN-MBOZVWFJSA-N	1	0	370.501	1.800	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C	ZINC001092703483	956106326	/nfs/dbraw/zinc/10/63/26/956106326.db2.gz	BETHQOJLYBTCSN-MLGOLLRUSA-N	1	0	353.426	1.793	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C	ZINC001092703588	956108789	/nfs/dbraw/zinc/10/87/89/956108789.db2.gz	IFJCXLFMFXAKFP-MLGOLLRUSA-N	1	0	353.426	1.793	20	30		FDEDRO
C[NH+](C)[C@@H](C(=O)NC[C@]12CCC[C@H]1N(c1cnc(C#N)cn1)CC2)C1CC1	ZINC001092704466	956113365	/nfs/dbraw/zinc/11/33/65/956113365.db2.gz	GSQXFKQTUOPTEI-YVWKXTFCSA-N	1	0	368.485	1.554	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)c1cncn1C	ZINC001092789711	956329737	/nfs/dbraw/zinc/32/97/37/956329737.db2.gz	QDUFZMIYYOGROP-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
C=C(Br)CN1C[C@@H](CNC(=O)c2ccc(=O)n(C)c2)[C@H](C)C1	ZINC001092768543	956387148	/nfs/dbraw/zinc/38/71/48/956387148.db2.gz	LBGFAIPSNMTTJS-BXUZGUMPSA-N	1	0	368.275	1.592	20	30		FDEDRO
C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)[C@H](C)C1	ZINC001092857723	956708775	/nfs/dbraw/zinc/70/87/75/956708775.db2.gz	LRIMTAXUJQNBNX-BQDHKBFISA-N	1	0	357.882	1.059	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn3nccc3nc2C)C1	ZINC001197326480	972208446	/nfs/dbraw/zinc/20/84/46/972208446.db2.gz	AXAZHFPUMSOXMZ-IAGOWNOFSA-N	1	0	357.458	1.559	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1CCN(C)C1=O	ZINC001092897252	956826555	/nfs/dbraw/zinc/82/65/55/956826555.db2.gz	IEMZTFDUQWVOPD-QRQLOZEOSA-N	1	0	353.466	1.201	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[N@H+](Cc3cc(OC)no3)C[C@H]2C)c1	ZINC001092952543	956886528	/nfs/dbraw/zinc/88/65/28/956886528.db2.gz	MLLUZOHWRDZCDV-CZUORRHYSA-N	1	0	354.410	1.557	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3nnc(C)n3C1)C2	ZINC001110138488	956934857	/nfs/dbraw/zinc/93/48/57/956934857.db2.gz	UNMQSNJJKYTNLZ-YVSFHVDLSA-N	1	0	359.474	1.073	20	30		FDEDRO
N#Cc1cnc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC[NH+]2CCCCC2)C3)cn1	ZINC001092976481	956970160	/nfs/dbraw/zinc/97/01/60/956970160.db2.gz	JWKWERSWKQJEND-KURKYZTESA-N	1	0	368.485	1.840	20	30		FDEDRO
N#Cc1nccc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC[NH+]2CCCCC2)C3)n1	ZINC001092976435	956970321	/nfs/dbraw/zinc/97/03/21/956970321.db2.gz	IGSAEVVHOUPGKM-ZACQAIPSSA-N	1	0	368.485	1.840	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](C[C@H](O)COCC(C)C)CC1	ZINC001197411729	972238487	/nfs/dbraw/zinc/23/84/87/972238487.db2.gz	VQOOGAIGLDOROH-FHWLQOOXSA-N	1	0	368.518	1.535	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)c1ccc(C(N)=O)[nH]1	ZINC001092969563	957018169	/nfs/dbraw/zinc/01/81/69/957018169.db2.gz	OWSRVAMMZSWJRA-CZUORRHYSA-N	1	0	365.437	1.483	20	30		FDEDRO
CCc1nc(C#N)cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C3)n1	ZINC001093026267	957171812	/nfs/dbraw/zinc/17/18/12/957171812.db2.gz	SUOSPAUDTZDQOY-OAGGEKHMSA-N	1	0	370.501	1.867	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](C[C@H]3CC(C)(C)CO3)C[C@H]2C)nn1	ZINC001093035026	957252599	/nfs/dbraw/zinc/25/25/99/957252599.db2.gz	KIJWEWHSZDJCSO-BZUAXINKSA-N	1	0	361.490	1.577	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3scnc3C)C[C@H]2C)nn1	ZINC001093035002	957252717	/nfs/dbraw/zinc/25/27/17/957252717.db2.gz	JBLZWIHEDMASTC-TZMCWYRMSA-N	1	0	360.487	1.727	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]2C)nn1	ZINC001093040469	957265539	/nfs/dbraw/zinc/26/55/39/957265539.db2.gz	QLHLGOBBQANWFX-IXDOHACOSA-N	1	0	361.490	1.579	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2cncc(C#N)n2)C1	ZINC001093113944	957552524	/nfs/dbraw/zinc/55/25/24/957552524.db2.gz	GLXVPPPAWBZSGE-CHWSQXEVSA-N	1	0	370.379	1.491	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NC[C@@H]1C[N@H+]([C@@H](CC)C(N)=O)C[C@H]1C	ZINC001093119567	957571496	/nfs/dbraw/zinc/57/14/96/957571496.db2.gz	CUOVVGBPAAOUJV-KFWWJZLASA-N	1	0	360.458	1.208	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@H]2C)nc1	ZINC001093141628	957638396	/nfs/dbraw/zinc/63/83/96/957638396.db2.gz	RNONZJAMTNXQSN-CRAIPNDOSA-N	1	0	351.454	1.337	20	30		FDEDRO
C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@]2(CNc2ccc(C#N)nn2)C1	ZINC001093129713	957670889	/nfs/dbraw/zinc/67/08/89/957670889.db2.gz	LRBIKCLJUZEXJL-KXBFYZLASA-N	1	0	356.474	1.731	20	30		FDEDRO
C[C@@H]1CN(Cc2cc(F)ccc2C#N)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001093193037	957749839	/nfs/dbraw/zinc/74/98/39/957749839.db2.gz	ASLBVXOOUCBHLN-QGPMSJSTSA-N	1	0	358.461	1.833	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3cnns3)C[C@H]2C)C1=O	ZINC001093272179	957940130	/nfs/dbraw/zinc/94/01/30/957940130.db2.gz	OXWOHOUODHIEHI-MCIONIFRSA-N	1	0	363.487	1.013	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3cscn3)C[C@H]2C)C1=O	ZINC001093272247	957940417	/nfs/dbraw/zinc/94/04/17/957940417.db2.gz	PVRLUTMZNUCHJG-RBSFLKMASA-N	1	0	362.499	1.618	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H]3CCNC3=O)C2)cc1	ZINC001093281694	957960260	/nfs/dbraw/zinc/96/02/60/957960260.db2.gz	TYOBIELACTUDNL-SZVBFZGTSA-N	1	0	371.481	1.828	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H]3CCN(CC)C3=O)C2)cn1	ZINC001093289534	957982333	/nfs/dbraw/zinc/98/23/33/957982333.db2.gz	SKAATNHJYATNSZ-SUMDDJOVSA-N	1	0	368.481	1.372	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H]3CCCN(C)C3=O)C2)cn1	ZINC001093289562	957982350	/nfs/dbraw/zinc/98/23/50/957982350.db2.gz	TWXZQNHCUZPGPY-SUMDDJOVSA-N	1	0	368.481	1.372	20	30		FDEDRO
C#CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1cncn1C)CCO2	ZINC001093407066	958024351	/nfs/dbraw/zinc/02/43/51/958024351.db2.gz	MNNBGYCEKBJRII-MUZJZNNISA-N	1	0	356.470	1.287	20	30		FDEDRO
COCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccccc3C#N)C2)[C@@H]1C(C)C	ZINC001093414715	958031415	/nfs/dbraw/zinc/03/14/15/958031415.db2.gz	FPUHQIYTFBLASS-RMVXJAJNSA-N	1	0	371.481	1.671	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccon3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093433326	958059988	/nfs/dbraw/zinc/05/99/88/958059988.db2.gz	CDDIOTOVYUBNID-JOCBIADPSA-N	1	0	367.877	1.936	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)C#CC2CC2)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cncn1C)C2	ZINC001093441837	958078590	/nfs/dbraw/zinc/07/85/90/958078590.db2.gz	BDKNKMYJMAUPHN-UKAVVXHISA-N	1	0	370.497	1.300	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)C#CC2CC2)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccccn1)C2	ZINC001093442617	958080712	/nfs/dbraw/zinc/08/07/12/958080712.db2.gz	JHCNZAFEXOMXRA-WKDRNLAYSA-N	1	0	367.493	1.961	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnnn3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093443445	958085620	/nfs/dbraw/zinc/08/56/20/958085620.db2.gz	QMPFINLZJYBGEY-MYZZLAAOSA-N	1	0	361.490	1.454	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCn3ccnn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093443706	958086413	/nfs/dbraw/zinc/08/64/13/958086413.db2.gz	SJUQKOBSCOSOPD-RWQQGDIJSA-N	1	0	361.490	1.210	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C3CN(C(C)=O)C3)[C@H]2C(C)C)C[C@H]1O	ZINC001093444563	958090349	/nfs/dbraw/zinc/09/03/49/958090349.db2.gz	TVOLGIVNFSKUBO-FTEYMNFISA-N	1	0	363.502	1.007	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@@H]1C(C)C	ZINC001093448000	958105148	/nfs/dbraw/zinc/10/51/48/958105148.db2.gz	CCPUTGVCBBPFEY-ONUSSAAZSA-N	1	0	371.909	1.217	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)nnn3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093448273	958107549	/nfs/dbraw/zinc/10/75/49/958107549.db2.gz	GUVMRGGJSOZZTR-FXRXJOCMSA-N	1	0	361.490	1.372	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnn3C(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001093449179	958113526	/nfs/dbraw/zinc/11/35/26/958113526.db2.gz	NKSFGRZPTZAKTQ-LBKNJMOBSA-N	1	0	358.486	1.677	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc(CC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093449466	958116274	/nfs/dbraw/zinc/11/62/74/958116274.db2.gz	HHUNNGMHCAZJAF-WERVVEIQSA-N	1	0	355.482	1.857	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C4CC4)cnn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093449787	958117853	/nfs/dbraw/zinc/11/78/53/958117853.db2.gz	QKYKCNCKMWFYBK-ZJSJBZJDSA-N	1	0	370.497	1.510	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnn3C(F)F)[C@H]2C(C)C)C[C@H]1O	ZINC001093450321	958122764	/nfs/dbraw/zinc/12/27/64/958122764.db2.gz	UHVBCQXYNNFFEH-LJGDNWOOSA-N	1	0	366.412	1.491	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc4n[nH]cc4c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093451527	958132886	/nfs/dbraw/zinc/13/28/86/958132886.db2.gz	VFFVCLFWTOILBJ-PDOICOKGSA-N	1	0	369.469	1.724	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cncc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093459419	958181160	/nfs/dbraw/zinc/18/11/60/958181160.db2.gz	SYKJYGSEQCDKES-HNBVOPMISA-N	1	0	360.502	1.734	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3snnc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001093459800	958184007	/nfs/dbraw/zinc/18/40/07/958184007.db2.gz	WBWOJYNBCHDGBI-AHEZYBDSSA-N	1	0	362.499	1.313	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(OC)nc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093459846	958184937	/nfs/dbraw/zinc/18/49/37/958184937.db2.gz	WLQPYLFQIALUJS-QQTQMKHKSA-N	1	0	359.470	1.856	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C)c(=O)[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093461390	958193593	/nfs/dbraw/zinc/19/35/93/958193593.db2.gz	IMVXOAQERBADEP-NVQRDWNXSA-N	1	0	362.474	1.282	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(CF)CCOCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093464027	958198215	/nfs/dbraw/zinc/19/82/15/958198215.db2.gz	BIFGGDXVGZIIHB-PDOICOKGSA-N	1	0	368.493	1.905	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3cn[nH]n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093464605	958200659	/nfs/dbraw/zinc/20/06/59/958200659.db2.gz	CPVRZPSCWUPZIR-RWQQGDIJSA-N	1	0	361.490	1.280	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc4cccnn43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093465057	958201589	/nfs/dbraw/zinc/20/15/89/958201589.db2.gz	FRVVQNQNVOSOEH-QSFMABPGSA-N	1	0	369.469	1.495	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3cc(C)on3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093464959	958201759	/nfs/dbraw/zinc/20/17/59/958201759.db2.gz	HITNRYXWNVUVBS-LFGUQSLTSA-N	1	0	359.470	1.515	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc4cccnn43)[C@H]2C(C)C)C[C@H]1O	ZINC001093465055	958201932	/nfs/dbraw/zinc/20/19/32/958201932.db2.gz	FRVVQNQNVOSOEH-GNUPYSACSA-N	1	0	369.469	1.495	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)nn3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093466094	958206751	/nfs/dbraw/zinc/20/67/51/958206751.db2.gz	LDTYSAHNNHIWFJ-UIXUWTQFSA-N	1	0	358.486	1.424	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nccc4[nH]ccc43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093466389	958209362	/nfs/dbraw/zinc/20/93/62/958209362.db2.gz	NEFIDNAAOFJWRU-VGUOSERISA-N	1	0	366.465	1.776	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(CC)CCOCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093470016	958225553	/nfs/dbraw/zinc/22/55/53/958225553.db2.gz	OUEFZXUUICNZKM-WIRSXHRWSA-N	1	0	362.514	1.793	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc(N(C)C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093474179	958247018	/nfs/dbraw/zinc/24/70/18/958247018.db2.gz	QPFCVQXEPXTTEF-XWSHUIEDSA-N	1	0	369.509	1.966	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncccc3OC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093474591	958248905	/nfs/dbraw/zinc/24/89/05/958248905.db2.gz	SLJAJRMZNRNCAA-YZDADXEPSA-N	1	0	359.470	1.856	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccccc3C#C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093474665	958250089	/nfs/dbraw/zinc/25/00/89/958250089.db2.gz	UAPJWRXCARPQJT-PRTQVNTJSA-N	1	0	364.489	1.810	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(CCF)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093452508	958257513	/nfs/dbraw/zinc/25/75/13/958257513.db2.gz	KAVYCGVJBWTKHT-VXNCWWDNSA-N	1	0	364.465	1.618	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)nn(C)c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093454930	958270301	/nfs/dbraw/zinc/27/03/01/958270301.db2.gz	IHWMWAOIQFBZNB-ZTRFORPCSA-N	1	0	358.486	1.250	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCn3ccnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093454949	958270364	/nfs/dbraw/zinc/27/03/64/958270364.db2.gz	IODCWRUUVONZTR-JYBIWHBTSA-N	1	0	360.502	1.815	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cncc(C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093455365	958272890	/nfs/dbraw/zinc/27/28/90/958272890.db2.gz	MJMWRISXWKBTAF-UKAVVXHISA-N	1	0	355.482	1.532	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)nn(C)c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093455385	958273048	/nfs/dbraw/zinc/27/30/48/958273048.db2.gz	MPUTYWZKVIZYBO-QQTQMKHKSA-N	1	0	360.502	1.803	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(OC)ccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093455391	958273121	/nfs/dbraw/zinc/27/31/21/958273121.db2.gz	MTPWRYABWRXXAU-FTEYMNFISA-N	1	0	359.470	1.856	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3coc(C(N)=O)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093456114	958276230	/nfs/dbraw/zinc/27/62/30/958276230.db2.gz	VMSHFRDOHGDJFY-NPNMTCQASA-N	1	0	361.442	1.144	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc4ncnn43)[C@H]2C(C)C)C[C@H]1O	ZINC001093456521	958277253	/nfs/dbraw/zinc/27/72/53/958277253.db2.gz	FEKSYLVGGLHBNH-BIJSTVTOSA-N	1	0	369.469	1.495	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(Cl)n(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093456480	958277381	/nfs/dbraw/zinc/27/73/81/958277381.db2.gz	DKRXQKPDRPOOPH-SZXPJGKVSA-N	1	0	366.893	1.839	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(OC)n(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093459141	958288324	/nfs/dbraw/zinc/28/83/24/958288324.db2.gz	RKXLBRLLNYYNPA-FXRXJOCMSA-N	1	0	362.474	1.194	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(=O)[nH]c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093480273	958301881	/nfs/dbraw/zinc/30/18/81/958301881.db2.gz	YCBQDLSMJGZQMW-ZTRFORPCSA-N	1	0	359.470	1.943	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)cc(=O)[nH]c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093480562	958303967	/nfs/dbraw/zinc/30/39/67/958303967.db2.gz	LWDKUGGRIJJUAR-NVEXJGOOSA-N	1	0	371.481	1.617	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc(CC)s3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093481837	958307179	/nfs/dbraw/zinc/30/71/79/958307179.db2.gz	YRANXHAGTQBDPI-BCXHYRKLSA-N	1	0	361.511	1.918	20	30		FDEDRO
N#CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1	ZINC001093489949	958311854	/nfs/dbraw/zinc/31/18/54/958311854.db2.gz	MPWOTXPEIFZSOP-ZRSRNVLSSA-N	1	0	358.486	1.217	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001093686073	958501669	/nfs/dbraw/zinc/50/16/69/958501669.db2.gz	UVGCTVXRHSCWQE-CZUORRHYSA-N	1	0	355.417	1.847	20	30		FDEDRO
Cc1c(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)cc3)[C@H](C)C2)nnn1C	ZINC001093688488	958507960	/nfs/dbraw/zinc/50/79/60/958507960.db2.gz	ZQRRHXOMPJDSMW-CXAGYDPISA-N	1	0	352.442	1.493	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2-c2ccccc2)[C@H](C)C1	ZINC001093679194	958533410	/nfs/dbraw/zinc/53/34/10/958533410.db2.gz	RFHHBXIKCCCHND-ARFHVFGLSA-N	1	0	352.442	1.611	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(-c3ccccc3)n2C)[C@H](C)C1	ZINC001093679552	958534877	/nfs/dbraw/zinc/53/48/77/958534877.db2.gz	WTMUCWJULDAPLE-BFYDXBDKSA-N	1	0	366.469	1.826	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C3CC(F)(F)C3)C[C@H]2C)C1=O	ZINC001093705418	958538993	/nfs/dbraw/zinc/53/89/93/958538993.db2.gz	NPDMOJHKTIAHIJ-YUELXQCFSA-N	1	0	355.429	1.503	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3cncc(C)c3)C[C@H]2C)C1=O	ZINC001093690480	958549718	/nfs/dbraw/zinc/54/97/18/958549718.db2.gz	WNRJKZNBYAIOEW-NXHRZFHOSA-N	1	0	356.470	1.475	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2COC(=O)C2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093714703	958578950	/nfs/dbraw/zinc/57/89/50/958578950.db2.gz	ASDCUWXNNJSZIB-IIDMSEBBSA-N	1	0	355.438	1.696	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001093715686	958583575	/nfs/dbraw/zinc/58/35/75/958583575.db2.gz	MAGXOLZKHNBCPB-NVXWUHKLSA-N	1	0	367.453	1.820	20	30		FDEDRO
CC(C)c1nnc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)[nH]1	ZINC001093722650	958599079	/nfs/dbraw/zinc/59/90/79/958599079.db2.gz	YPQMSLVPVFZHRF-CHWSQXEVSA-N	1	0	355.446	1.626	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+][C@@H]1CCN(C2CCC2)C1=O	ZINC001093722635	958599441	/nfs/dbraw/zinc/59/94/41/958599441.db2.gz	WWBQQIKWBJOUQF-CKEIUWERSA-N	1	0	369.469	1.337	20	30		FDEDRO
CC(C)c1noc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)n1	ZINC001093722594	958599607	/nfs/dbraw/zinc/59/96/07/958599607.db2.gz	RSYMZTLLWGDCHC-CHWSQXEVSA-N	1	0	356.430	1.891	20	30		FDEDRO
C[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093725281	958606018	/nfs/dbraw/zinc/60/60/18/958606018.db2.gz	MIUUOWGLISWIKS-VQIMIIECSA-N	1	0	356.470	1.075	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1noc2c1COCC2	ZINC001093725458	958607400	/nfs/dbraw/zinc/60/74/00/958607400.db2.gz	LJDZWVNGZYGWBF-TZMCWYRMSA-N	1	0	369.425	1.445	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3cc4occc4[nH]3)C[C@H]2C)C1=O	ZINC001093802638	958831928	/nfs/dbraw/zinc/83/19/28/958831928.db2.gz	AWNXLYGJTLAFMQ-FMKPAKJESA-N	1	0	370.453	1.846	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccn(C)c(=O)c2)[C@H](C)C1	ZINC001093777892	958869192	/nfs/dbraw/zinc/86/91/92/958869192.db2.gz	AEMNRYTXDNBWSO-OWYHZJEWSA-N	1	0	373.497	1.551	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093819314	958882741	/nfs/dbraw/zinc/88/27/41/958882741.db2.gz	OINAUTGAVVEXIV-ZTFGCOKTSA-N	1	0	354.454	1.269	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN(C)C2=O)C1	ZINC001197758192	972385778	/nfs/dbraw/zinc/38/57/78/972385778.db2.gz	JIYYMMJNCBPJAJ-GVDBMIGSSA-N	1	0	351.491	1.153	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1)S(C)(=O)=O	ZINC001093867622	959047044	/nfs/dbraw/zinc/04/70/44/959047044.db2.gz	WDZVJDSYLHYCBA-CKEIUWERSA-N	1	0	363.483	1.175	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](N3CCC([NH2+]C4CCOCC4)CC3)C2=O)cc1	ZINC001197738934	972403331	/nfs/dbraw/zinc/40/33/31/972403331.db2.gz	KBMUDUIRUIMROC-HXUWFJFHSA-N	1	0	368.481	1.897	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093905547	959289047	/nfs/dbraw/zinc/28/90/47/959289047.db2.gz	MMEAGWKQWMMPOV-CZUORRHYSA-N	1	0	366.421	1.748	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001093964186	959372380	/nfs/dbraw/zinc/37/23/80/959372380.db2.gz	MPLRRIAVZDZZIJ-DAXOMENPSA-N	1	0	358.417	1.018	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001093966817	959379447	/nfs/dbraw/zinc/37/94/47/959379447.db2.gz	OUHQRJVZGAZZGE-IUODEOHRSA-N	1	0	371.416	1.634	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093936093	959394450	/nfs/dbraw/zinc/39/44/50/959394450.db2.gz	AWQKWGXBHMHHFS-WIBUTAKZSA-N	1	0	354.454	1.269	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)CC2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093940269	959408286	/nfs/dbraw/zinc/40/82/86/959408286.db2.gz	BQTZBAQPXKAVSZ-AYOQOUSVSA-N	1	0	368.481	1.659	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093975250	959519681	/nfs/dbraw/zinc/51/96/81/959519681.db2.gz	GHMCLKAMQCWEFP-OLMNPRSZSA-N	1	0	354.454	1.221	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001094048870	959622674	/nfs/dbraw/zinc/62/26/74/959622674.db2.gz	RFGRQNKOYHBBIL-CZUORRHYSA-N	1	0	365.437	1.483	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)c3csnn3)[C@H](C)C2)nn1	ZINC001094095522	959772570	/nfs/dbraw/zinc/77/25/70/959772570.db2.gz	SVEAEPDUIRAGCD-FRRDWIJNSA-N	1	0	361.475	1.375	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001094108472	959786031	/nfs/dbraw/zinc/78/60/31/959786031.db2.gz	FOGLLLVBBVCYHP-IUODEOHRSA-N	1	0	356.405	1.324	20	30		FDEDRO
C=CCN1CC[C@H](N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCCCC2)C3)C1=O	ZINC001110153628	959832086	/nfs/dbraw/zinc/83/20/86/959832086.db2.gz	DJXWVMMZXWAFOJ-XWSJACJDSA-N	1	0	374.529	1.371	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]Cc2cccnc2)[C@H](C)C1	ZINC001094174163	959976118	/nfs/dbraw/zinc/97/61/18/959976118.db2.gz	VZPQYWYJXWYBBE-SJLPKXTDSA-N	1	0	364.449	1.987	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cncc(OC)n3)[C@H](C)C2)nc1	ZINC001094174465	959977244	/nfs/dbraw/zinc/97/72/44/959977244.db2.gz	IZMURHSUVJJCMR-GDBMZVCRSA-N	1	0	365.437	1.359	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ccn(CC)n3)[C@H](C)C2)cn1	ZINC001094174724	959978666	/nfs/dbraw/zinc/97/86/66/959978666.db2.gz	QYEARXBZSYAAQA-NVXWUHKLSA-N	1	0	351.454	1.777	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nc(CC)no3)[C@H](C)C2)cn1	ZINC001094176496	959981873	/nfs/dbraw/zinc/98/18/73/959981873.db2.gz	OBHOCKIELFFALB-UKRRQHHQSA-N	1	0	353.426	1.506	20	30		FDEDRO
Cc1nonc1CC(=O)N1C[C@@H](C[NH2+]Cc2cc(C#N)ccc2F)[C@H](C)C1	ZINC001094142188	959998627	/nfs/dbraw/zinc/99/86/27/959998627.db2.gz	QGNHRDRTSIUCQS-MLGOLLRUSA-N	1	0	371.416	1.816	20	30		FDEDRO
CCn1nncc1C[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH]c(C#N)c3)CCC[C@@H]12	ZINC001094397279	960347231	/nfs/dbraw/zinc/34/72/31/960347231.db2.gz	PVIWVUGQQABUDB-IEBWSBKVSA-N	1	0	367.457	1.672	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4sccn4c3=O)CCC[C@@H]12	ZINC001094462723	960459901	/nfs/dbraw/zinc/45/99/01/960459901.db2.gz	ABVIVQBYDACXIW-RDTXWAMCSA-N	1	0	356.451	1.364	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cn4c(n3)C[C@@H](OC)CC4)CCC[C@@H]12	ZINC001094445058	960512366	/nfs/dbraw/zinc/51/23/66/960512366.db2.gz	OWVMNEFFCWGDAO-XAUMDUMWSA-N	1	0	356.470	1.452	20	30		FDEDRO
CC1([NH+]2CCOCC2)CCN(C(=O)Cc2cccc(OCC#N)c2)CC1	ZINC000862961395	972515320	/nfs/dbraw/zinc/51/53/20/972515320.db2.gz	XYGRPPYVRDLEND-UHFFFAOYSA-N	1	0	357.454	1.845	20	30		FDEDRO
Cn1nnc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2ccccc2C#N)CC3)n1	ZINC001094492868	960592921	/nfs/dbraw/zinc/59/29/21/960592921.db2.gz	HRTJDBDECQOMEW-VQIMIIECSA-N	1	0	365.441	1.256	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3COCCN3C3CCCC3)CCC[C@@H]12	ZINC001094494067	960598957	/nfs/dbraw/zinc/59/89/57/960598957.db2.gz	ABRCIELTVKVSGK-QKNQBKEWSA-N	1	0	359.514	1.624	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4cc(OC)ccn43)CCC[C@@H]12	ZINC001094470627	960635761	/nfs/dbraw/zinc/63/57/61/960635761.db2.gz	NPRINCUDMOTRLW-YLJYHZDGSA-N	1	0	352.438	1.951	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3COCCN3CC(F)F)CCC[C@@H]12	ZINC001094477330	960648472	/nfs/dbraw/zinc/64/84/72/960648472.db2.gz	BJGPRFCZQYTRPA-HDMKZQKVSA-N	1	0	357.445	1.499	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)c3nc(C)n(-c4nc[nH]n4)n3)CCC[C@@H]12	ZINC001094481944	960662914	/nfs/dbraw/zinc/66/29/14/960662914.db2.gz	PCXFJEODXVVLLU-RDTXWAMCSA-N	1	0	370.461	1.244	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCn2cncn2)CC3)c1	ZINC001094508814	960684807	/nfs/dbraw/zinc/68/48/07/960684807.db2.gz	PCTXWPBPUDXMPK-UYAOXDASSA-N	1	0	364.453	1.329	20	30		FDEDRO
NC(=NOCC(=O)N1CCCCC1)c1ccccc1C[NH+]1CCC(O)CC1	ZINC000104054428	972526873	/nfs/dbraw/zinc/52/68/73/972526873.db2.gz	GYESWSDUKKUSHK-UHFFFAOYSA-N	1	0	374.485	1.293	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](Cc1c(F)cccc1F)NC(C)=O	ZINC001181319807	960775625	/nfs/dbraw/zinc/77/56/25/960775625.db2.gz	XFYRKGBGEFBMIB-KBXCAEBGSA-N	1	0	365.424	1.779	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)N2CCC2)CC3)cn1	ZINC001094563301	960819042	/nfs/dbraw/zinc/81/90/42/960819042.db2.gz	OLAAZEBMQIPDJJ-WIYYLYMNSA-N	1	0	366.465	1.270	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3nc4nc(C)cc(C)n4n3)CCC[C@@H]12	ZINC001094571905	960845364	/nfs/dbraw/zinc/84/53/64/960845364.db2.gz	YYFQBPWDOUXQSH-OXQOHEQNSA-N	1	0	366.469	1.739	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)c3cn(C)c(=O)[nH]c3=O)CCC[C@@H]12	ZINC001094576022	960858000	/nfs/dbraw/zinc/85/80/00/960858000.db2.gz	MPXPYKGAELFFSF-DNVCBOLYSA-N	1	0	360.458	1.427	20	30		FDEDRO
N#CC1(NC(=O)C2CC3(C2)OCCO3)CC[NH+](Cc2ccccc2)CC1	ZINC001181512275	960890944	/nfs/dbraw/zinc/89/09/44/960890944.db2.gz	LFJPKSPQBIEJAO-UHFFFAOYSA-N	1	0	355.438	1.814	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC(=O)N(C)C3)CCC[C@@H]12	ZINC001094586279	960951855	/nfs/dbraw/zinc/95/18/55/960951855.db2.gz	ILWINTCTBLYEAG-HDMKZQKVSA-N	1	0	353.894	1.968	20	30		FDEDRO
COCC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1C1CCOCC1	ZINC001171777986	961295228	/nfs/dbraw/zinc/29/52/28/961295228.db2.gz	BJMOKAQQBPQZSL-YTQUADARSA-N	1	0	350.503	1.964	20	30		FDEDRO
CCOC(=O)c1cc(C#N)c(NC(=O)C2(O)CC[NH+](C)CC2)c(C)c1O	ZINC001182032671	961350013	/nfs/dbraw/zinc/35/00/13/961350013.db2.gz	DSZKPWBLEXFGBB-UHFFFAOYSA-N	1	0	361.398	1.144	20	30		FDEDRO
C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	ZINC001171879192	961357086	/nfs/dbraw/zinc/35/70/86/961357086.db2.gz	QWEXGYGWSSFQDC-OTWHNJEPSA-N	1	0	365.518	1.154	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+][C@H]3CCN(C4CC4)C(=O)C3)CC2)cc1	ZINC001172006272	961376369	/nfs/dbraw/zinc/37/63/69/961376369.db2.gz	VSWDRPRMLSGRGI-SFHVURJKSA-N	1	0	366.465	1.906	20	30		FDEDRO
C[C@@H]1C(=O)OC[C@H]1C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1	ZINC001182085731	961420947	/nfs/dbraw/zinc/42/09/47/961420947.db2.gz	CPAOGWZSVMVOLZ-XDKFSHSGSA-N	1	0	355.438	1.966	20	30		FDEDRO
C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](C1C[C@@H]3COC[C@H](C1)N3C)C2	ZINC001172136624	961478124	/nfs/dbraw/zinc/47/81/24/961478124.db2.gz	FLADYAGMJDXQAH-NOSIKRSBSA-N	1	0	350.503	1.922	20	30		FDEDRO
C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@@H+]([C@@H]1CCN3C(=O)CC[C@H]3C1)C2	ZINC001172168080	961523972	/nfs/dbraw/zinc/52/39/72/961523972.db2.gz	BAMHXBUPDKSEDM-LVCYWYKZSA-N	1	0	374.529	1.323	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CC2CC(NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc1	ZINC000962098221	1013273379	/nfs/dbraw/zinc/27/33/79/1013273379.db2.gz	XXAATEILBCICBV-BAMZZKKUSA-N	1	0	351.450	1.966	20	30		FDEDRO
C[C@H](CCCC#N)[NH2+][C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2=O)C1	ZINC001172481215	961666966	/nfs/dbraw/zinc/66/69/66/961666966.db2.gz	QUIWUBWZYPKHPT-SJLPKXTDSA-N	1	0	370.497	2.000	20	30		FDEDRO
C[C@H](CCCC#N)N1CC(=O)NC[C@@]12CCN(C(=O)OC(C)(C)C)C2	ZINC001172495656	961685273	/nfs/dbraw/zinc/68/52/73/961685273.db2.gz	GWWISSDQMLTOLZ-RDTXWAMCSA-N	1	0	350.463	1.880	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=O)C[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1	ZINC000774135279	961759063	/nfs/dbraw/zinc/75/90/63/961759063.db2.gz	UTIWRVBVSYSUFC-LSDHHAIUSA-N	1	0	350.463	1.738	20	30		FDEDRO
C#CCN(C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1	ZINC000774210884	961838210	/nfs/dbraw/zinc/83/82/10/961838210.db2.gz	RAEHQKMIVJUVCE-OWCLPIDISA-N	1	0	355.504	1.081	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC2(N3CCCC3)COC2)C[C@H]1C#N	ZINC001172967971	961853655	/nfs/dbraw/zinc/85/36/55/961853655.db2.gz	GFXMAXVIZYQWCW-HOTGVXAUSA-N	1	0	364.490	1.732	20	30		FDEDRO
CC(=O)N1CC[C@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1	ZINC001172977735	961859438	/nfs/dbraw/zinc/85/94/38/961859438.db2.gz	IVGGKRLHYZVKFT-PMPSAXMXSA-N	1	0	350.463	1.736	20	30		FDEDRO
CC(=O)N1CC[C@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1	ZINC001172977733	961860493	/nfs/dbraw/zinc/86/04/93/961860493.db2.gz	IVGGKRLHYZVKFT-OAGGEKHMSA-N	1	0	350.463	1.736	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@]2(C)CCC(=O)NC2=O)C[C@H]1C#N	ZINC001172982545	961866668	/nfs/dbraw/zinc/86/66/68/961866668.db2.gz	DJTNVHJZEFNSGQ-BWACUDIHSA-N	1	0	350.419	1.063	20	30		FDEDRO
CC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1	ZINC001172984530	961868450	/nfs/dbraw/zinc/86/84/50/961868450.db2.gz	LXTAGMAPNUWSIK-PMPSAXMXSA-N	1	0	350.463	1.879	20	30		FDEDRO
C=CCOC1CCC([N@@H+]2CCC[C@@]3(C[C@@H](OCC(=O)NC)CO3)C2)CC1	ZINC001173322284	962004255	/nfs/dbraw/zinc/00/42/55/962004255.db2.gz	BIIKBHULSHZBDA-SMRJSYMMSA-N	1	0	366.502	1.886	20	30		FDEDRO
C=CCOC1CCC([N@@H+]2CCC[C@@]3(C[C@H](OCC(=O)NC)CO3)C2)CC1	ZINC001173322283	962004585	/nfs/dbraw/zinc/00/45/85/962004585.db2.gz	BIIKBHULSHZBDA-QQGUTBHFSA-N	1	0	366.502	1.886	20	30		FDEDRO
CNC(=O)CN1CCOC[C@@]2(CCC[N@@H+](C3CCC(CC#N)CC3)C2)C1	ZINC001173336030	962008487	/nfs/dbraw/zinc/00/84/87/962008487.db2.gz	KZESDLOFWABTKA-QLOJAFMTSA-N	1	0	362.518	1.619	20	30		FDEDRO
C=CCOC1CCC([NH2+]CC(=O)N[C@@H](Cc2ccccc2)C(N)=O)CC1	ZINC001173319658	962020743	/nfs/dbraw/zinc/02/07/43/962020743.db2.gz	QPXVNPJZQZIJRR-ABHNRTSZSA-N	1	0	359.470	1.303	20	30		FDEDRO
N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO[C@@H]1CCOC1	ZINC001110301568	962071716	/nfs/dbraw/zinc/07/17/16/962071716.db2.gz	IKYWYQHSKGYJPH-FPCVCCKLSA-N	1	0	353.488	1.160	20	30		FDEDRO
N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO[C@H]1CCOC1	ZINC001110301569	962072572	/nfs/dbraw/zinc/07/25/72/962072572.db2.gz	IKYWYQHSKGYJPH-QXSJWSMHSA-N	1	0	353.488	1.160	20	30		FDEDRO
CC(=O)N1CCC([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1	ZINC001173421883	962118367	/nfs/dbraw/zinc/11/83/67/962118367.db2.gz	GMCIRKAFPROIJK-UHFFFAOYSA-N	1	0	354.454	1.763	20	30		FDEDRO
COc1ccc(C[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)nn1	ZINC001173427420	962139551	/nfs/dbraw/zinc/13/95/51/962139551.db2.gz	VQELDPPLPVISOI-UHFFFAOYSA-N	1	0	351.410	1.751	20	30		FDEDRO
CC(C)C[C@H]([NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1)C(=O)NO	ZINC001173427861	962139837	/nfs/dbraw/zinc/13/98/37/962139837.db2.gz	CQWNFFOBGZLGLU-KRWDZBQOSA-N	1	0	358.442	1.673	20	30		FDEDRO
C[C@]1(CO)CC[N@@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C[C@H]1O	ZINC001173429891	962146062	/nfs/dbraw/zinc/14/60/62/962146062.db2.gz	FLGCMLUSWJGTNX-UYAOXDASSA-N	1	0	357.454	1.228	20	30		FDEDRO
C[C@]1(CO)C[N@@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC[C@H]1O	ZINC001173430763	962148255	/nfs/dbraw/zinc/14/82/55/962148255.db2.gz	YPINIKYZFPDSNF-UYAOXDASSA-N	1	0	357.454	1.228	20	30		FDEDRO
C[NH+]1CCN(Cc2cn3c(n2)CN(C2CCC(C)(C#N)CC2)CC3)CC1	ZINC001173594775	962470071	/nfs/dbraw/zinc/47/00/71/962470071.db2.gz	FMCFKNQVJXDRML-UHFFFAOYSA-N	1	0	356.518	1.919	20	30		FDEDRO
CNC(=O)CN1CCOC[C@]2(CCC[N@@H+](C3CCC(C)(C#N)CC3)C2)C1	ZINC001173595272	962471216	/nfs/dbraw/zinc/47/12/16/962471216.db2.gz	NQNZOGCCDRDMOJ-LYBXBRPPSA-N	1	0	362.518	1.619	20	30		FDEDRO
C=CCOC(=O)N1CC2(C1)CC[NH+]([C@H]1CCC[C@H](n3ncnn3)C1)CC2	ZINC001173756135	962633904	/nfs/dbraw/zinc/63/39/04/962633904.db2.gz	OEAHAJXXFBGZQE-HOTGVXAUSA-N	1	0	360.462	1.877	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CC[C@]2(CC(=O)N(c3cnn(C)c3)C2)C1	ZINC001183043179	962754799	/nfs/dbraw/zinc/75/47/99/962754799.db2.gz	MATJQAJESAUINO-IBGZPJMESA-N	1	0	357.458	1.028	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)NCCC1(O)CN(C(=O)OC(C)(C)C)C1	ZINC001183080010	962780374	/nfs/dbraw/zinc/78/03/74/962780374.db2.gz	LDRJJRBIGNSNFA-UHFFFAOYSA-N	1	0	353.463	1.127	20	30		FDEDRO
CC[N@H+](CCCC(=O)N[C@H](C#N)C(N)=O)[C@@H](C)Cc1ccc(OC)cc1	ZINC001183149730	962833783	/nfs/dbraw/zinc/83/37/83/962833783.db2.gz	HAESGJZMBNDXFC-WMLDXEAASA-N	1	0	360.458	1.222	20	30		FDEDRO
C[N@@H+]1CCc2c(C#N)c(Nc3cnc(N4CCOCC4)nc3)sc2C1	ZINC001174449586	962871885	/nfs/dbraw/zinc/87/18/85/962871885.db2.gz	ZZRWXACNYYTCGS-UHFFFAOYSA-N	1	0	356.455	1.978	20	30		FDEDRO
C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCC(C)C	ZINC001110181673	963078327	/nfs/dbraw/zinc/07/83/27/963078327.db2.gz	KYSUISDLUYMYAP-OWSLCNJRSA-N	1	0	354.491	1.334	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)/C=C(/C)C1CC1)C2	ZINC001110334304	963084548	/nfs/dbraw/zinc/08/45/48/963084548.db2.gz	HEDBGDBWFFHWJR-WSMCKZIGSA-N	1	0	374.485	1.465	20	30		FDEDRO
C[C@H](CCCC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)[C@H]1C[C@H]1C(N)=O	ZINC001175288255	963123366	/nfs/dbraw/zinc/12/33/66/963123366.db2.gz	INYAOQDUFDTQJD-OLMNPRSZSA-N	1	0	359.445	1.563	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1ncnn1CCF	ZINC001175364947	963169392	/nfs/dbraw/zinc/16/93/92/963169392.db2.gz	FCIIIMVXJNWQCZ-OAGGEKHMSA-N	1	0	367.469	1.603	20	30		FDEDRO
C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@H](C#N)Cc2ccc(O)cc2)C1	ZINC001183613287	963190188	/nfs/dbraw/zinc/19/01/88/963190188.db2.gz	SNTBDCDERPIQMZ-IRXDYDNUSA-N	1	0	367.453	1.491	20	30		FDEDRO
C=CCN1CC[C@H](N2[C@@H]3CC[C@H]2[C@H](NC(=O)CSCCC)C3)C1=O	ZINC001110337302	963220788	/nfs/dbraw/zinc/22/07/88/963220788.db2.gz	ABALZVHCAJCMSX-WCVJEAGWSA-N	1	0	351.516	1.638	20	30		FDEDRO
C=CCOC(=O)c1c(N)nn(-c2ccc(OCCC[NH+](C)C)nc2)c1N	ZINC001176355526	963431184	/nfs/dbraw/zinc/43/11/84/963431184.db2.gz	YAYBVJLGKROKIR-UHFFFAOYSA-N	1	0	360.418	1.105	20	30		FDEDRO
CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](O)CC2(C#N)CCOCC2)CCOCC1	ZINC001176659057	963520639	/nfs/dbraw/zinc/52/06/39/963520639.db2.gz	XZYOXUISARBIIR-HZPDHXFCSA-N	1	0	368.474	1.396	20	30		FDEDRO
CC[NH+]1CCC(N(C)C(=O)[C@H]2CN(c3cccc(C#N)c3)C(=O)O2)CC1	ZINC001184380955	963566337	/nfs/dbraw/zinc/56/63/37/963566337.db2.gz	QGZNJONMLGXCEA-QGZVFWFLSA-N	1	0	356.426	1.826	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(OCC)c(OCC)c2)CC1	ZINC000774782671	963707024	/nfs/dbraw/zinc/70/70/24/963707024.db2.gz	UANUWSFRJRMSMM-KRWDZBQOSA-N	1	0	373.497	1.912	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COC[C@H]2CCCO2)C3)c1	ZINC001110201663	963713135	/nfs/dbraw/zinc/71/31/35/963713135.db2.gz	NYUWXXKBKROLDI-ZRNYENFQSA-N	1	0	369.465	1.975	20	30		FDEDRO
CC(C)[NH+](CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N)C(C)C	ZINC001184822337	963726122	/nfs/dbraw/zinc/72/61/22/963726122.db2.gz	UGSFFMJUALHLLT-UHFFFAOYSA-N	1	0	354.432	1.864	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CCC[NH2+]CCOCCO)CC1CCCC1	ZINC001177423844	963825133	/nfs/dbraw/zinc/82/51/33/963825133.db2.gz	SJQRIVZUICKKGB-MOPGFXCFSA-N	1	0	368.518	1.585	20	30		FDEDRO
CC(C)[C@H](CNS(=O)(=O)c1ccc(C#N)cn1)[NH+]1CCC(C)CC1	ZINC001185354297	963912615	/nfs/dbraw/zinc/91/26/15/963912615.db2.gz	UVBALMPZYPUSOW-INIZCTEOSA-N	1	0	350.488	1.988	20	30		FDEDRO
N#Cc1cc(CC(=O)Nc2ccc(N3CC[NH+](CCO)CC3)cc2)ccn1	ZINC001177671000	963922098	/nfs/dbraw/zinc/92/20/98/963922098.db2.gz	KXYJIMBWJUEELT-UHFFFAOYSA-N	1	0	365.437	1.249	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1	ZINC001185566633	963979710	/nfs/dbraw/zinc/97/97/10/963979710.db2.gz	AKLYYCRNFZPHFD-MGPQQGTHSA-N	1	0	363.408	1.561	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N(CCC)CCC)C1	ZINC001185758453	964089876	/nfs/dbraw/zinc/08/98/76/964089876.db2.gz	FHAMTYVCJIHZKU-ZACQAIPSSA-N	1	0	351.491	1.417	20	30		FDEDRO
C[NH+]1CC2(CN(C(=O)c3cc(C#N)ccc3I)C2)C1	ZINC001185795601	964108585	/nfs/dbraw/zinc/10/85/85/964108585.db2.gz	QFUXBQOJUVCARG-UHFFFAOYSA-N	1	0	367.190	1.550	20	30		FDEDRO
C[C@H](C[NH+](C)C)NC(=O)c1cc(C#N)ccc1I	ZINC001185804565	964115175	/nfs/dbraw/zinc/11/51/75/964115175.db2.gz	VJNXGXGCUAIKLX-SECBINFHSA-N	1	0	357.195	1.843	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccco2)C1	ZINC001185791750	964120051	/nfs/dbraw/zinc/12/00/51/964120051.db2.gz	MPLFYSCRQVMIMG-BRWVUGGUSA-N	1	0	359.470	1.998	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCCCCCC[NH2+]CCOCCOC	ZINC001178509059	964261375	/nfs/dbraw/zinc/26/13/75/964261375.db2.gz	DQNHHNLJXJNTQB-MSOLQXFVSA-N	1	0	356.507	1.897	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@H]1OCC[C@H]1CC	ZINC001178743430	964415930	/nfs/dbraw/zinc/41/59/30/964415930.db2.gz	CYRDJICSHASJAG-BBWFWOEESA-N	1	0	353.507	1.758	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)CC12CCOCC2	ZINC001186410072	964478724	/nfs/dbraw/zinc/47/87/24/964478724.db2.gz	MDEKUUYUTPSKEJ-BBWFWOEESA-N	1	0	352.475	1.211	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2OCC[C@H]2C(C)C)CC12CCOCC2	ZINC001186373086	964480568	/nfs/dbraw/zinc/48/05/68/964480568.db2.gz	GIEFIQKZRJFHPW-QYZOEREBSA-N	1	0	362.514	1.916	20	30		FDEDRO
C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC12CCOCC2	ZINC001186424138	964502747	/nfs/dbraw/zinc/50/27/47/964502747.db2.gz	FEVGUWKKSSRNHT-WXJALIKYSA-N	1	0	360.498	1.831	20	30		FDEDRO
C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC12CCOCC2	ZINC001186495202	964524542	/nfs/dbraw/zinc/52/45/42/964524542.db2.gz	ZJQKHKHLYQLDGL-IKGGRYGDSA-N	1	0	363.502	1.309	20	30		FDEDRO
CCNC(=O)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1	ZINC001110384164	964719975	/nfs/dbraw/zinc/71/99/75/964719975.db2.gz	QLSHXLKJKLAYJZ-KURKYZTESA-N	1	0	354.454	1.696	20	30		FDEDRO
C=CCOCC[NH2+]CCCCCCNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1	ZINC001179573243	964905536	/nfs/dbraw/zinc/90/55/36/964905536.db2.gz	PVPNMJMZSKTNIR-SJORKVTESA-N	1	0	369.506	1.091	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1nnnn1C(C)C	ZINC001179633244	964940654	/nfs/dbraw/zinc/94/06/54/964940654.db2.gz	AFLLDCVJAKVGAP-CVEARBPZSA-N	1	0	364.494	1.611	20	30		FDEDRO
C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@@H]1C[C@H]1c1ccccc1F	ZINC001179686097	964944019	/nfs/dbraw/zinc/94/40/19/964944019.db2.gz	TWIMUACKWMTBCU-FAYQHZLMSA-N	1	0	358.417	1.148	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCCCCC[NH2+]Cc1nncn1C	ZINC001179781043	964975543	/nfs/dbraw/zinc/97/55/43/964975543.db2.gz	GBKFATMKOAJWAC-WMZOPIPTSA-N	1	0	363.506	1.953	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCC(NC(=O)OC(C)(C)C)CC2)C1	ZINC001179896506	965020386	/nfs/dbraw/zinc/02/03/86/965020386.db2.gz	PHGIQZDQIMAUNU-DZGCQCFKSA-N	1	0	350.463	1.736	20	30		FDEDRO
C[C@@H](C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1)N1CCOCC1	ZINC001187178705	965058078	/nfs/dbraw/zinc/05/80/78/965058078.db2.gz	LRJUHNBVBKZYLY-VDGAXYAQSA-N	1	0	370.497	1.877	20	30		FDEDRO
CCOC(=O)CCNC(=O)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC001187226925	965102958	/nfs/dbraw/zinc/10/29/58/965102958.db2.gz	ARRYRDSKPOHZDP-UHFFFAOYSA-N	1	0	358.442	1.775	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(C(=O)N(C)C)c3)C[C@H]21	ZINC001187279875	965159712	/nfs/dbraw/zinc/15/97/12/965159712.db2.gz	FICFYVGHSISRLG-RBUKOAKNSA-N	1	0	371.481	1.624	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(CC=C)C3=O)C[C@H]21	ZINC001187472862	965386684	/nfs/dbraw/zinc/38/66/84/965386684.db2.gz	QQZDIVRAOABMST-OKZBNKHCSA-N	1	0	361.486	1.289	20	30		FDEDRO
C#CCCCCC(=O)N1CC[C@H]2C[N@@H+](CCCNS(=O)(=O)CC)C[C@H]21	ZINC001187591409	965509417	/nfs/dbraw/zinc/50/94/17/965509417.db2.gz	KTJSZKUQWXYFQF-DLBZAZTESA-N	1	0	369.531	1.042	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C)cc(C)c3)C[C@H]21	ZINC001187598382	965520509	/nfs/dbraw/zinc/52/05/09/965520509.db2.gz	PSYJFFPCGZCSFX-RBUKOAKNSA-N	1	0	353.466	1.476	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21	ZINC001187736281	965691700	/nfs/dbraw/zinc/69/17/00/965691700.db2.gz	BVXPGULJWQBMFT-IXDOHACOSA-N	1	0	352.500	1.147	20	30		FDEDRO
Cc1ccsc1CNC(=O)CN1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1	ZINC001187819719	965760955	/nfs/dbraw/zinc/76/09/55/965760955.db2.gz	IPZRNYSBUCPWTQ-DLBZAZTESA-N	1	0	371.506	1.619	20	30		FDEDRO
CN(Cc1ccco1)C(=O)CN1C[C@@H]2CCN(C(=O)C#CC(C)(C)C)[C@@H]2C1	ZINC001187856743	965794582	/nfs/dbraw/zinc/79/45/82/965794582.db2.gz	AWYHDYYFLMYZSZ-FUHWJXTLSA-N	1	0	371.481	1.820	20	30		FDEDRO
CC(C)COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C#CC(C)(C)C)[C@@H]2C1	ZINC001187857495	965798227	/nfs/dbraw/zinc/79/82/27/965798227.db2.gz	NPCWCRIYUSTKSS-RCCFBDPRSA-N	1	0	350.503	1.602	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](CCOc3ccc(F)cc3)C[C@H]21	ZINC001187865191	965810300	/nfs/dbraw/zinc/81/03/00/965810300.db2.gz	MFTJDXHANIOGDO-TXPKVOOTSA-N	1	0	360.429	1.776	20	30		FDEDRO
Cc1cccc(OC[C@@H](O)C[N@H+]2C[C@@H]3CCN(C(=O)C#CC(C)C)[C@@H]3C2)c1	ZINC001187828401	965820620	/nfs/dbraw/zinc/82/06/20/965820620.db2.gz	XSOQYNQEZVHICE-IRFCIJBXSA-N	1	0	370.493	1.927	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccnc(N(C)C)c3)C[C@H]21	ZINC001187881574	965879090	/nfs/dbraw/zinc/87/90/90/965879090.db2.gz	AEFGPJXKOZYYOK-RYQLBKOJSA-N	1	0	356.470	1.219	20	30		FDEDRO
C=CCCOCCCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21	ZINC001187919538	965904081	/nfs/dbraw/zinc/90/40/81/965904081.db2.gz	KGTQNWDGDHWZFK-RCCFBDPRSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4cccnc4n3)[C@@H]2C1	ZINC001187983943	965940258	/nfs/dbraw/zinc/94/02/58/965940258.db2.gz	CSLJRJLXALIKMQ-FUHWJXTLSA-N	1	0	352.438	1.979	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)NC(=O)CC(F)(F)F)[C@@H]2C1	ZINC001188018419	965976065	/nfs/dbraw/zinc/97/60/65/965976065.db2.gz	IHRVFMAHJPFRHM-HZSPNIEDSA-N	1	0	361.408	1.942	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn4ccc(C)cc34)[C@@H]2C1	ZINC001188264278	966169833	/nfs/dbraw/zinc/16/98/33/966169833.db2.gz	XHHDXVNSHHWDKH-QFBILLFUSA-N	1	0	352.438	1.439	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3nc4ncc(C)cn4n3)[C@@H]2C1	ZINC001188285643	966188059	/nfs/dbraw/zinc/18/80/59/966188059.db2.gz	LJZFRPHPJANEDZ-HRCADAONSA-N	1	0	354.458	1.934	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1	ZINC000957622717	1013637189	/nfs/dbraw/zinc/63/71/89/1013637189.db2.gz	SJYCKSNDVWZIDO-GDBMZVCRSA-N	1	0	361.490	1.234	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnc4ccccn4c3=O)[C@@H]2C1	ZINC001188356603	966272808	/nfs/dbraw/zinc/27/28/08/966272808.db2.gz	MAUDJALEEXIBNL-DOTOQJQBSA-N	1	0	352.438	1.807	20	30		FDEDRO
COCC#CCN1C[C@@H]2CCN(C(=O)c3cc4ccccc4nn3)[C@@H]2C1	ZINC001188731626	966541957	/nfs/dbraw/zinc/54/19/57/966541957.db2.gz	PFESFYGXFRVEJE-QFBILLFUSA-N	1	0	350.422	1.426	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(CC(=O)N(CC)C4CC4)C[C@H]32)cc1	ZINC001188744220	966552838	/nfs/dbraw/zinc/55/28/38/966552838.db2.gz	LFRVLGRKBDKAGH-AZUAARDMSA-N	1	0	365.477	1.825	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@@H](CC)c2ccc3c(c2)OCCO3)CC1	ZINC000775202580	966597246	/nfs/dbraw/zinc/59/72/46/966597246.db2.gz	KMYHLQLFSLTTDA-KRWDZBQOSA-N	1	0	357.454	1.276	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C3CCN(CC(F)F)CC3)[C@@H]2C1	ZINC001188940654	966656547	/nfs/dbraw/zinc/65/65/47/966656547.db2.gz	BPWRBBQDFOUSQT-DLBZAZTESA-N	1	0	369.456	1.146	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](CCCC)C(N)=O)C[C@H]32)c1	ZINC001189076578	966751801	/nfs/dbraw/zinc/75/18/01/966751801.db2.gz	DGUDSPWJJVLQCE-RYQLBKOJSA-N	1	0	354.454	1.253	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(CC)C3CC3)C[C@H]21	ZINC001189174479	966831506	/nfs/dbraw/zinc/83/15/06/966831506.db2.gz	JGEJNGHLAIRVEN-HPBDAGMYSA-N	1	0	361.486	1.121	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3nc(C)ncc3Cl)[C@@H]2C1	ZINC001189317388	966908077	/nfs/dbraw/zinc/90/80/77/966908077.db2.gz	NCGFDWXXXVZSHC-DZGCQCFKSA-N	1	0	350.850	1.787	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2C1	ZINC001189425760	966970542	/nfs/dbraw/zinc/97/05/42/966970542.db2.gz	PLCSXQFOYFOFGR-VDZJLULYSA-N	1	0	354.450	1.806	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cnn4cccc(OC)c34)[C@@H]2C1	ZINC001189438945	966990229	/nfs/dbraw/zinc/99/02/29/966990229.db2.gz	IXSWNBBIRCOSNA-DOTOQJQBSA-N	1	0	370.453	1.692	20	30		FDEDRO
Cc1cc(C[N@H+](CCNC(=O)OC(C)(C)C)C[C@@H](O)CO)ccc1C#N	ZINC000852180709	967062483	/nfs/dbraw/zinc/06/24/83/967062483.db2.gz	WYUXXODKUVHFLN-QGZVFWFLSA-N	1	0	363.458	1.547	20	30		FDEDRO
C#C[C@@H](NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CCOCC1	ZINC000852248274	967147794	/nfs/dbraw/zinc/14/77/94/967147794.db2.gz	FNHFUZWFHCNEMU-VQTJNVASSA-N	1	0	371.481	1.481	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852455264	967334246	/nfs/dbraw/zinc/33/42/46/967334246.db2.gz	RZGMLPVBRLJFOB-WCQYABFASA-N	1	0	353.344	1.234	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4nnn(C)c4c3)[C@@H]2C1	ZINC001189969557	967423155	/nfs/dbraw/zinc/42/31/55/967423155.db2.gz	KCHNYPBBHOEXMW-MAUKXSAKSA-N	1	0	355.442	1.317	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccccc3OC)[C@@H]2C1	ZINC001190058738	967521729	/nfs/dbraw/zinc/52/17/29/967521729.db2.gz	KHRDWYSJTIFFJW-BPQIPLTHSA-N	1	0	371.481	1.461	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(NC(C)=O)c3)[C@@H]2C1	ZINC001190133209	967593930	/nfs/dbraw/zinc/59/39/30/967593930.db2.gz	CGPOXXUXEFZKAC-PKOBYXMFSA-N	1	0	357.454	1.994	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)COc3ccccc3OC)[C@@H]2C1	ZINC001190133232	967594198	/nfs/dbraw/zinc/59/41/98/967594198.db2.gz	DFGMLANSDQSUCZ-DLBZAZTESA-N	1	0	358.438	1.257	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCO[C@H]2CCOC2)c1	ZINC001110423218	967596208	/nfs/dbraw/zinc/59/62/08/967596208.db2.gz	MBPGSMKLFYRJJO-HPFXQQBRSA-N	1	0	358.442	1.417	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3nc4ncccn4n3)[C@@H]2C1	ZINC001190157451	967609846	/nfs/dbraw/zinc/60/98/46/967609846.db2.gz	JWVMVHVBRIBGAY-OWCLPIDISA-N	1	0	354.458	1.554	20	30		FDEDRO
CC[C@@H](NC(=O)C#CC1CC[NH2+]CC1)c1ccccc1OCC(=O)NC	ZINC000852814132	967627928	/nfs/dbraw/zinc/62/79/28/967627928.db2.gz	RPNUHOMHPVUEGO-QGZVFWFLSA-N	1	0	357.454	1.382	20	30		FDEDRO
C=CC[C@]1(C(=O)N[C@H](C)c2cccc(NS(C)(=O)=O)c2)CCC[NH2+]1	ZINC000852817019	967630128	/nfs/dbraw/zinc/63/01/28/967630128.db2.gz	MRVATKREJOFRFQ-CXAGYDPISA-N	1	0	351.472	1.934	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NCCOc1ccc(Br)cc1	ZINC000852823636	967635453	/nfs/dbraw/zinc/63/54/53/967635453.db2.gz	RCKODPCAQZZZBL-UHFFFAOYSA-N	1	0	351.244	1.947	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCOCc3ccccc3)[C@@H]2C1	ZINC001190220700	967635504	/nfs/dbraw/zinc/63/55/04/967635504.db2.gz	ACZLCUGAWXRPPO-VQTJNVASSA-N	1	0	356.466	1.776	20	30		FDEDRO
C=CC[C@@]1(C(=O)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)CCC[NH2+]1	ZINC000852844675	967651608	/nfs/dbraw/zinc/65/16/08/967651608.db2.gz	JFLFFEPKTHVTSS-KDOFPFPSSA-N	1	0	366.845	1.959	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1	ZINC000852845993	967652420	/nfs/dbraw/zinc/65/24/20/967652420.db2.gz	BSSLXUIGGCTQPD-UHFFFAOYSA-N	1	0	357.410	1.968	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1	ZINC000852844967	967652572	/nfs/dbraw/zinc/65/25/72/967652572.db2.gz	PLCQUHMGGXKCRT-UHFFFAOYSA-N	1	0	365.430	1.208	20	30		FDEDRO
Cc1ccc(NC(=O)C2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)nc1	ZINC000852861035	967666609	/nfs/dbraw/zinc/66/66/09/967666609.db2.gz	YSJIZXCBOWETPQ-UHFFFAOYSA-N	1	0	354.454	1.570	20	30		FDEDRO
C[C@@H]([NH2+]C1CC1)C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000852906852	967698478	/nfs/dbraw/zinc/69/84/78/967698478.db2.gz	VEEFRBIWDCYSSF-CQSZACIVSA-N	1	0	364.453	1.737	20	30		FDEDRO
CC1(c2nnc(-c3cccc(F)c3)o2)CN(C(=O)C#CC2CC[NH2+]CC2)C1	ZINC000852939411	967720994	/nfs/dbraw/zinc/72/09/94/967720994.db2.gz	QJJXUDRKTOJGJJ-UHFFFAOYSA-N	1	0	368.412	1.979	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)c3cccc(OC)c3)[C@@H]2C1	ZINC001190351352	967774939	/nfs/dbraw/zinc/77/49/39/967774939.db2.gz	WAFVEFPCJMAAKU-XKGZKEIXSA-N	1	0	356.466	1.981	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)N(CC)CC)C[C@H]21	ZINC001190440042	967850524	/nfs/dbraw/zinc/85/05/24/967850524.db2.gz	DYQAVLFPFZFMCM-YESZJQIVSA-N	1	0	351.491	1.369	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2COC(=O)C2)C3)cc1	ZINC001095312691	967851858	/nfs/dbraw/zinc/85/18/58/967851858.db2.gz	FBJRHOHIJABHJA-MHORFTMASA-N	1	0	353.422	1.733	20	30		FDEDRO
N#Cc1ccc(N2C[C@@]3(COCC[N@H+](C[C@H]4CCOC4)C3)OCC2=O)cc1	ZINC001202487664	967879325	/nfs/dbraw/zinc/87/93/25/967879325.db2.gz	NCIACPNQOQBYOK-XLIONFOSSA-N	1	0	371.437	1.029	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)C3CCC(NC(C)=O)CC3)[C@@H]2C1	ZINC001190496045	967930913	/nfs/dbraw/zinc/93/09/13/967930913.db2.gz	XNQCFCXVJPLEEZ-VLOYRQLPSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CC[C@@H]([NH2+]CC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1	ZINC000775400119	967979595	/nfs/dbraw/zinc/97/95/95/967979595.db2.gz	LSABXAIIRMOXRE-GOSISDBHSA-N	1	0	365.433	1.918	20	30		FDEDRO
C#CC[C@H]([NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1	ZINC000775400057	967979858	/nfs/dbraw/zinc/97/98/58/967979858.db2.gz	WNXVTXLMZXSTSG-IBGZPJMESA-N	1	0	363.465	1.870	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H](N2CCOC2=O)C1)C(C)C	ZINC000853383612	967995616	/nfs/dbraw/zinc/99/56/16/967995616.db2.gz	IJZCRBBEJHQPLA-DLBZAZTESA-N	1	0	364.490	1.921	20	30		FDEDRO
C#CCN(CC(=O)OC(C)(C)C)C(=O)NC1CC[NH+](CCOC)CC1	ZINC000853487392	968048046	/nfs/dbraw/zinc/04/80/46/968048046.db2.gz	NZGDNOPGRFEWAR-UHFFFAOYSA-N	1	0	353.463	1.084	20	30		FDEDRO
C=C(C)C(=O)NCCCNC(=O)c1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC001190858216	968135860	/nfs/dbraw/zinc/13/58/60/968135860.db2.gz	VTINLJJCGYSSAI-UHFFFAOYSA-N	1	0	372.513	1.636	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccc(C(=O)N[C@@H](CS)C(=O)OC)cc2)CC1	ZINC001190857583	968136247	/nfs/dbraw/zinc/13/62/47/968136247.db2.gz	LHFHUFXUZDPEIN-INIZCTEOSA-N	1	0	365.499	1.025	20	30		FDEDRO
N#Cc1ccc(Cl)c(S(=O)(=O)N2CCO[C@H](C[NH+]3CCCC3)C2)c1	ZINC001190962654	968203484	/nfs/dbraw/zinc/20/34/84/968203484.db2.gz	KIYUYKABBTYRHK-CQSZACIVSA-N	1	0	369.874	1.697	20	30		FDEDRO
CO[C@H](CO[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1)[C@H]1CCOC1	ZINC000853673504	968240707	/nfs/dbraw/zinc/24/07/07/968240707.db2.gz	WKTWCSDVRPCXMF-MAUKXSAKSA-N	1	0	363.458	1.336	20	30		FDEDRO
C#Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c1	ZINC001191321281	968446128	/nfs/dbraw/zinc/44/61/28/968446128.db2.gz	ZUAJXZXHAISHFC-GOSISDBHSA-N	1	0	370.453	1.113	20	30		FDEDRO
C#Cc1cccc(NC(=O)NC(=O)C[NH+]2CCC(CCC(=O)OC)CC2)c1	ZINC001191435204	968512040	/nfs/dbraw/zinc/51/20/40/968512040.db2.gz	AOWRUPCYGVCUPV-UHFFFAOYSA-N	1	0	371.437	1.981	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCCc2ccsc2)C[C@H]1O	ZINC001191614586	968668082	/nfs/dbraw/zinc/66/80/82/968668082.db2.gz	NHFQXPWAOHISEG-USXIJHARSA-N	1	0	352.500	1.823	20	30		FDEDRO
CC[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)CCNC1=O	ZINC001110686038	968847074	/nfs/dbraw/zinc/84/70/74/968847074.db2.gz	JYJIEHYRXGYIEW-DCXXXQMHSA-N	1	0	366.465	1.696	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](Cc2ccccc2)OC)C[C@H]1O	ZINC001192321408	969062593	/nfs/dbraw/zinc/06/25/93/969062593.db2.gz	ZBYSKOHUGXTMDZ-VAMGGRTRSA-N	1	0	358.482	1.599	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@H]1O	ZINC001192328748	969065764	/nfs/dbraw/zinc/06/57/64/969065764.db2.gz	MYOOMTAVNMEZQD-WOJBJXKFSA-N	1	0	356.466	1.614	20	30		FDEDRO
C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1	ZINC001192332314	969068066	/nfs/dbraw/zinc/06/80/66/969068066.db2.gz	GEOMYBDPEUSSLT-KSZLIROESA-N	1	0	363.502	1.655	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCCc2ccccc2OC)C[C@H]1O	ZINC001192531607	969176960	/nfs/dbraw/zinc/17/69/60/969176960.db2.gz	YRYZMWVBCYJABV-HLIPFELVSA-N	1	0	362.470	1.116	20	30		FDEDRO
Cc1ccc(N(C(=O)c2ccc(C#N)o2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1	ZINC001192675606	969226334	/nfs/dbraw/zinc/22/63/34/969226334.db2.gz	MMOGSYIVGIDPJO-AUUYWEPGSA-N	1	0	367.409	1.808	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)C[C@H]1O	ZINC001192886488	969348099	/nfs/dbraw/zinc/34/80/99/969348099.db2.gz	RMUQALYXPZXKMR-HZPDHXFCSA-N	1	0	352.381	1.325	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc3ccccc32)C[C@H]1O	ZINC001192885891	969348415	/nfs/dbraw/zinc/34/84/15/969348415.db2.gz	GWBZVNNOHNWBSH-WOJBJXKFSA-N	1	0	352.434	1.541	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCc3ccccc32)C[C@H]1O	ZINC001192892169	969351327	/nfs/dbraw/zinc/35/13/27/969351327.db2.gz	UNBZANMGVMQWFB-MISYRCLQSA-N	1	0	356.466	1.308	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(CC(C)C)cc2)C[C@H]1O	ZINC001192899638	969354368	/nfs/dbraw/zinc/35/43/68/969354368.db2.gz	RXNUBKKLNMSEPO-NSISKUIASA-N	1	0	358.482	1.585	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2CC(F)F)C1	ZINC001192977047	969413836	/nfs/dbraw/zinc/41/38/36/969413836.db2.gz	CVBGTZLRLVCGIO-UKRRQHHQSA-N	1	0	358.433	1.894	20	30		FDEDRO
COc1ccc(CC[NH+]2CCC(NS(=O)(=O)[C@@H](C)C#N)CC2)cc1	ZINC001193182388	969555778	/nfs/dbraw/zinc/55/57/78/969555778.db2.gz	MDKMGRLKMIWNBE-AWEZNQCLSA-N	1	0	351.472	1.534	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1O	ZINC001193241365	969570342	/nfs/dbraw/zinc/57/03/42/969570342.db2.gz	RZHYTSHDCGCNOH-HUUCEWRRSA-N	1	0	364.408	1.885	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O)OCC	ZINC001193422310	969697414	/nfs/dbraw/zinc/69/74/14/969697414.db2.gz	OSKLJFPQVSPQDZ-KZNAEPCWSA-N	1	0	354.491	1.336	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1CN(Cc2scnc2C)C[C@H]1O)OCC	ZINC001193422353	969697596	/nfs/dbraw/zinc/69/75/96/969697596.db2.gz	PNJRIRCDESXYFZ-KFWWJZLASA-N	1	0	353.488	1.484	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C(C)(C)C)nn2)C1	ZINC001193601815	969788489	/nfs/dbraw/zinc/78/84/89/969788489.db2.gz	MFARPXOOLHRTEM-GDBMZVCRSA-N	1	0	351.495	1.778	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cccc(CC)c3)C[C@H]2O)CCOCC1	ZINC001193720258	969842081	/nfs/dbraw/zinc/84/20/81/969842081.db2.gz	UBXDUBGAIMWAOR-WOJBJXKFSA-N	1	0	370.493	1.730	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(CC)nn(C)c2CC)C1	ZINC001193835208	969890009	/nfs/dbraw/zinc/89/00/09/969890009.db2.gz	OQJWZHBTOLEZJS-POZUXBRTSA-N	1	0	362.518	1.603	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CC(F)F)nc2C)C1	ZINC001193970292	969941074	/nfs/dbraw/zinc/94/10/74/969941074.db2.gz	IBXHSYIXNDZWGW-KCPJHIHWSA-N	1	0	356.417	1.586	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn3c(n2)C[C@H](C)CC3)C1	ZINC001194074073	969988402	/nfs/dbraw/zinc/98/84/02/969988402.db2.gz	DQKIWSOYKMOSIA-JFIYKMOQSA-N	1	0	360.502	1.987	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3cnco3)cc2)C1	ZINC001194127707	970005202	/nfs/dbraw/zinc/00/52/02/970005202.db2.gz	SKUQBPBQONIAIU-IAGOWNOFSA-N	1	0	357.410	1.319	20	30		FDEDRO
N#Cc1cncc(C(=O)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1	ZINC001194105328	970020624	/nfs/dbraw/zinc/02/06/24/970020624.db2.gz	QIPWNLNELMEGOT-OALUTQOASA-N	1	0	363.421	1.464	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(NC(C)=O)CCCCC2)C1	ZINC001194228568	970058194	/nfs/dbraw/zinc/05/81/94/970058194.db2.gz	ZFWDGYNBOFSTEY-QZTJIDSGSA-N	1	0	367.534	1.957	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(Br)n2)c1C#N	ZINC000775603134	970114237	/nfs/dbraw/zinc/11/42/37/970114237.db2.gz	LPRKZTIZMPWTIX-UHFFFAOYSA-N	1	0	363.219	1.843	20	30		FDEDRO
COC[C@H]1CCC[N@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000112962017	970135422	/nfs/dbraw/zinc/13/54/22/970135422.db2.gz	HIPLVKKHICCMNP-KRWDZBQOSA-N	1	0	356.426	1.638	20	30		FDEDRO
CCN(CCO)c1ccc(C=[NH+]NC2CCS(=O)(=O)CC2)c(C)c1	ZINC000776792958	970139811	/nfs/dbraw/zinc/13/98/11/970139811.db2.gz	NQEOCRRXZYWVCQ-UHFFFAOYSA-N	1	0	353.488	1.314	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(n2)OCCO3)C1	ZINC001194408700	970161514	/nfs/dbraw/zinc/16/15/14/970161514.db2.gz	NNLKDEQYPUEXHO-HZPDHXFCSA-N	1	0	361.442	1.374	20	30		FDEDRO
C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CC#N)C1	ZINC000855256359	970244657	/nfs/dbraw/zinc/24/46/57/970244657.db2.gz	LAALHLJDNQVROL-GJZGRUSLSA-N	1	0	352.479	1.984	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)ncn2)C1	ZINC001194638650	970282641	/nfs/dbraw/zinc/28/26/41/970282641.db2.gz	OYTWOQZLNLMUNU-CYZMBNFOSA-N	1	0	358.364	1.625	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccc(OC)c(F)c2)C1	ZINC001194651509	970287584	/nfs/dbraw/zinc/28/75/84/970287584.db2.gz	DSCAAGKUQQOBNU-IAGOWNOFSA-N	1	0	350.434	1.894	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000855638063	970561631	/nfs/dbraw/zinc/56/16/31/970561631.db2.gz	SQNNKGVMKIYGJR-UHFFFAOYSA-N	1	0	364.453	1.715	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCc1ccccc1	ZINC001110465387	970657381	/nfs/dbraw/zinc/65/73/81/970657381.db2.gz	ARPWNTZHWWUBAP-AQNXPRMDSA-N	1	0	367.493	1.870	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](OC)c1ccccc1	ZINC001110465564	970661827	/nfs/dbraw/zinc/66/18/27/970661827.db2.gz	JEDRNBLMAGAVGB-AKHDSKFASA-N	1	0	369.465	1.235	20	30		FDEDRO
CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OCC#N)cc1	ZINC001110466480	970723174	/nfs/dbraw/zinc/72/31/74/970723174.db2.gz	RGXNTZVRAZBKQU-NXHRZFHOSA-N	1	0	370.453	1.337	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3ccnc3)nc2)C1	ZINC001195157698	970739311	/nfs/dbraw/zinc/73/93/11/970739311.db2.gz	KGPRNKUMNFMEAR-DJIMGWMZSA-N	1	0	355.442	1.397	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC3(CCC3)CO2)C1	ZINC001198012135	972640727	/nfs/dbraw/zinc/64/07/27/972640727.db2.gz	RDCAEEXWHWSFFJ-GVDBMIGSSA-N	1	0	352.475	1.090	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000119283175	972681585	/nfs/dbraw/zinc/68/15/85/972681585.db2.gz	ORLDKARALSHFRD-CQSZACIVSA-N	1	0	358.373	1.139	20	30		FDEDRO
C[C@@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCOCC1)C(=O)N(C)CCC#N	ZINC000863384249	972864194	/nfs/dbraw/zinc/86/41/94/972864194.db2.gz	OEYFWXJUZAOOKX-CQSZACIVSA-N	1	0	368.478	1.410	20	30		FDEDRO
CCOC(=O)C1([C@H](C)[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)CCOCC1	ZINC001198289800	972955679	/nfs/dbraw/zinc/95/56/79/972955679.db2.gz	TXODNFJNYPDGTQ-BBRMVZONSA-N	1	0	359.426	1.423	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(c3ccc(Cl)cc3)CC2)C1	ZINC001198385746	973042454	/nfs/dbraw/zinc/04/24/54/973042454.db2.gz	DBIXOFASPZHORD-IAGOWNOFSA-N	1	0	364.873	1.736	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cnnn3)cc2)C1	ZINC001198425190	973088463	/nfs/dbraw/zinc/08/84/63/973088463.db2.gz	WSTPWPSDPVXOSZ-QZTJIDSGSA-N	1	0	370.457	1.184	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CCCC1	ZINC000863765990	973193203	/nfs/dbraw/zinc/19/32/03/973193203.db2.gz	YDUOGVOHKBYTKE-GXTWGEPZSA-N	1	0	359.392	1.377	20	30		FDEDRO
CCN(CCC#N)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC(C)(C)C1)C2	ZINC001110511869	973232617	/nfs/dbraw/zinc/23/26/17/973232617.db2.gz	YQEGIIQZYMVSCB-ZACQAIPSSA-N	1	0	360.502	1.906	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COc2ccc(OC)cc2)C1	ZINC001198591969	973292799	/nfs/dbraw/zinc/29/27/99/973292799.db2.gz	FSQXSROFXQBPEQ-RTBURBONSA-N	1	0	362.470	1.982	20	30		FDEDRO
Cn1c(CC#N)nn(CN2CCO[C@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1=S	ZINC000794632628	973493905	/nfs/dbraw/zinc/49/39/05/973493905.db2.gz	JDISRNWSHHIZCP-MCIONIFRSA-N	1	0	350.492	1.158	20	30		FDEDRO
C=CC[C@H](C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1O)c1ccccc1	ZINC001198870103	973638204	/nfs/dbraw/zinc/63/82/04/973638204.db2.gz	ICYHAYXMEJWABM-XUVXKRRUSA-N	1	0	368.481	1.484	20	30		FDEDRO
CN1CC[N@H+](CCCNC(=O)[C@]2(C#N)CCCOC2)[C@@H](c2ccccc2)C1	ZINC000864829867	973868765	/nfs/dbraw/zinc/86/87/65/973868765.db2.gz	VGIRISYIIKLTRX-CTNGQTDRSA-N	1	0	370.497	1.802	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCOc2cccc(OC)c2)C1	ZINC001199096704	973913182	/nfs/dbraw/zinc/91/31/82/973913182.db2.gz	RKVYHSOTOHASDG-ATZDWAIDSA-N	1	0	362.470	1.980	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ccccc3C2)C[C@H]1O	ZINC001199292401	974132557	/nfs/dbraw/zinc/13/25/57/974132557.db2.gz	IZAMHTIZAJSTIR-NSISKUIASA-N	1	0	358.482	1.546	20	30		FDEDRO
C[NH+]1CCC(CNC(=S)N2CCN(c3ccc(C#N)cc3)CC2)CC1	ZINC000865267531	974208924	/nfs/dbraw/zinc/20/89/24/974208924.db2.gz	PUQAHFWUYWVMML-UHFFFAOYSA-N	1	0	357.527	1.897	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)CC2CCCCC2)C1	ZINC001199498707	974304346	/nfs/dbraw/zinc/30/43/46/974304346.db2.gz	RKGTVYVGRAPKFD-KBAYOESNSA-N	1	0	365.518	1.589	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]CCS(=O)(=O)NCC1CCC1	ZINC000865456546	974308963	/nfs/dbraw/zinc/30/89/63/974308963.db2.gz	YPRUPZJWACWLIP-UHFFFAOYSA-N	1	0	350.488	1.433	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(F)(F)F)CCCCC2)C1	ZINC001199480605	974315955	/nfs/dbraw/zinc/31/59/55/974315955.db2.gz	RPQACDDEBIGHGM-ZIAGYGMSSA-N	1	0	364.408	1.863	20	30		FDEDRO
C#CC[C@H](CC(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O)c1ccccc1	ZINC001199505406	974326565	/nfs/dbraw/zinc/32/65/65/974326565.db2.gz	HLBPRYOIHOYRGQ-HMXCVIKNSA-N	1	0	370.493	1.914	20	30		FDEDRO
N#Cc1cc(C(F)(F)F)cc(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)n1	ZINC000865501255	974328480	/nfs/dbraw/zinc/32/84/80/974328480.db2.gz	UERSVUHJCQZJRX-LLVKDONJSA-N	1	0	355.364	1.971	20	30		FDEDRO
C[C@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC[N@@H+]1C	ZINC000775997277	974394233	/nfs/dbraw/zinc/39/42/33/974394233.db2.gz	ABXZXPNSMQHYGW-JKSUJKDBSA-N	1	0	361.515	1.093	20	30		FDEDRO
N#Cc1cnc(C(=O)N(c2ncccc2F)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)cn1	ZINC001199664705	974450178	/nfs/dbraw/zinc/45/01/78/974450178.db2.gz	MGCNXCSIIASNHG-SCLBCKFNSA-N	1	0	368.372	1.050	20	30		FDEDRO
CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)c1cnc(C#N)cn1)[C@@H]2C	ZINC001199665800	974452312	/nfs/dbraw/zinc/45/23/12/974452312.db2.gz	UTWIWGQSXAFZHZ-CYBMUJFWSA-N	1	0	353.430	1.602	20	30		FDEDRO
N#Cc1ccc(C(=O)N(Cc2ncn3c2C[NH2+]CCC3)c2ncccn2)[nH]1	ZINC001199680068	974459383	/nfs/dbraw/zinc/45/93/83/974459383.db2.gz	LZHVFNHCXXATGS-UHFFFAOYSA-N	1	0	362.397	1.213	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COc1ccc(F)cc1	ZINC001110540608	974463102	/nfs/dbraw/zinc/46/31/02/974463102.db2.gz	ZQLXQUZKDIRZMK-LFGUQSLTSA-N	1	0	372.440	1.700	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C(=O)NC)cc1	ZINC001110553450	974770841	/nfs/dbraw/zinc/77/08/41/974770841.db2.gz	PUTGQXWHMUQUMO-QRVBRYPASA-N	1	0	369.465	1.308	20	30		FDEDRO
C=CCOCC[NH2+]C[C@H]1CN(C(=O)[C@H]2OCC[C@H]2C(C)C)CCCO1	ZINC001200528218	974808033	/nfs/dbraw/zinc/80/80/33/974808033.db2.gz	HFOKRFVNMFMSCL-BZSNNMDCSA-N	1	0	354.491	1.457	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CCCO1	ZINC001200787597	974906660	/nfs/dbraw/zinc/90/66/60/974906660.db2.gz	UVWUQRWPKPINNL-CEXWTWQISA-N	1	0	367.534	1.659	20	30		FDEDRO
N#Cc1ccc(F)c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)CO[C@H]2CCOC2)C3)c1	ZINC001110560091	974952701	/nfs/dbraw/zinc/95/27/01/974952701.db2.gz	XOAJTTGHOXFUQQ-JFRXWTBNSA-N	1	0	373.428	1.724	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn([C@H]3CCOC3)nc1C)C2	ZINC001110564459	975047107	/nfs/dbraw/zinc/04/71/07/975047107.db2.gz	DWNBCSFDKATSPW-JFRXWTBNSA-N	1	0	374.485	1.691	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCCOC(C)C)C1	ZINC001201622014	975100653	/nfs/dbraw/zinc/10/06/53/975100653.db2.gz	SGAIAKMQECBGPL-FHWLQOOXSA-N	1	0	368.518	1.990	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCO[C@H]2CC)CC1	ZINC001201736754	975150083	/nfs/dbraw/zinc/15/00/83/975150083.db2.gz	CQGNOAKCXNFTPO-MSOLQXFVSA-N	1	0	363.502	1.583	20	30		FDEDRO
C#C[C@@H]1CCCN(C(=O)C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)C1	ZINC000847562326	975831400	/nfs/dbraw/zinc/83/14/00/975831400.db2.gz	JECVBKYIFHYBKK-RHSMWYFYSA-N	1	0	355.438	1.882	20	30		FDEDRO
C=CCn1c(C)cc(C(=O)CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1C	ZINC000866714261	975948083	/nfs/dbraw/zinc/94/80/83/975948083.db2.gz	JQXHKXWHOAKHIV-WDYCEAGBSA-N	1	0	372.469	1.341	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cn1cccn1	ZINC001110595579	976211101	/nfs/dbraw/zinc/21/11/01/976211101.db2.gz	XEEWGVOPCODKSI-FPCVCCKLSA-N	1	0	366.893	1.744	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1	ZINC000867811831	976914397	/nfs/dbraw/zinc/91/43/97/976914397.db2.gz	GHCAXDLCKCQFMS-DOTOQJQBSA-N	1	0	363.483	1.317	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCc2ccc(OCC(F)(F)F)nn2)CC1	ZINC000848720394	977046610	/nfs/dbraw/zinc/04/66/10/977046610.db2.gz	WAVMJCYRSRQNDD-UHFFFAOYSA-N	1	0	357.332	1.806	20	30		FDEDRO
C[C@@](C#N)(NC(=O)COC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1	ZINC000848775754	977085095	/nfs/dbraw/zinc/08/50/95/977085095.db2.gz	VHRHAMLVXPRBDL-UZLBHIALSA-N	1	0	355.438	1.860	20	30		FDEDRO
COc1cccc2c1OC[C@H](NC(=O)[C@H]1[NH2+]CCc3cc(C#N)ccc31)C2	ZINC000867943869	977121783	/nfs/dbraw/zinc/12/17/83/977121783.db2.gz	IUXHBIYQJMOBFL-APWZRJJASA-N	1	0	363.417	1.874	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1	ZINC000867952192	977132708	/nfs/dbraw/zinc/13/27/08/977132708.db2.gz	VPOIRSRXXXOWOE-UZLBHIALSA-N	1	0	360.417	1.667	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCCC[C@@H]1CN1CCOCC1	ZINC000867961962	977144461	/nfs/dbraw/zinc/14/44/61/977144461.db2.gz	ISLBZCJDVFFISR-QUCCMNQESA-N	1	0	368.481	1.458	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@H]1CCN(c2ccccc2F)C1	ZINC000849085828	977308094	/nfs/dbraw/zinc/30/80/94/977308094.db2.gz	XLXWLEJLOQYDCR-MRXNPFEDSA-N	1	0	363.481	1.149	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@H]1CCCN(c2ccccc2)C1	ZINC000849104429	977316655	/nfs/dbraw/zinc/31/66/55/977316655.db2.gz	NCCSOIBINNRKLS-GOSISDBHSA-N	1	0	359.518	1.400	20	30		FDEDRO
C[NH+]=C(NCc1ccco1)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1	ZINC000849109877	977320161	/nfs/dbraw/zinc/32/01/61/977320161.db2.gz	KHYBXYBBCGBSQD-OAHLLOKOSA-N	1	0	366.462	1.971	20	30		FDEDRO
COC1(CCNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)CCC1	ZINC000849114122	977326048	/nfs/dbraw/zinc/32/60/48/977326048.db2.gz	TTWOVILEIPXTPN-CQSZACIVSA-N	1	0	352.479	1.826	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1C#N	ZINC000868255271	977401089	/nfs/dbraw/zinc/40/10/89/977401089.db2.gz	AHUAUMPKRLRHMU-HNNXBMFYSA-N	1	0	370.453	1.744	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)NC1CCN(c2ccccc2C#N)CC1	ZINC000868309198	977486286	/nfs/dbraw/zinc/48/62/86/977486286.db2.gz	GVDMMZYKTDPMJB-UHFFFAOYSA-N	1	0	373.501	1.795	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)c1	ZINC000868311623	977490079	/nfs/dbraw/zinc/49/00/79/977490079.db2.gz	YZPDYVSSUOKXNU-FQEVSTJZSA-N	1	0	357.454	1.861	20	30		FDEDRO
C[C@@H](CNC(=O)N[C@H]1Cc2ccc(C#N)cc2C1)C[NH+]1CCN(C)CC1	ZINC000868357919	977526807	/nfs/dbraw/zinc/52/68/07/977526807.db2.gz	JWHSPQJBFNWDTK-KXBFYZLASA-N	1	0	355.486	1.208	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1	ZINC000108609155	977605669	/nfs/dbraw/zinc/60/56/69/977605669.db2.gz	PLHRMTSBIQZFQR-UHFFFAOYSA-N	1	0	364.405	1.381	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1	ZINC000108612002	977609430	/nfs/dbraw/zinc/60/94/30/977609430.db2.gz	GCGZZLJPDZWDCA-MRXNPFEDSA-N	1	0	357.454	1.874	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1	ZINC000108611425	977609577	/nfs/dbraw/zinc/60/95/77/977609577.db2.gz	QDSCTIMWFALTGS-JKSUJKDBSA-N	1	0	357.454	1.874	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)cc1	ZINC000849599739	977820737	/nfs/dbraw/zinc/82/07/37/977820737.db2.gz	OLXCXMSLNPAPAT-UXHICEINSA-N	1	0	366.465	1.784	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1	ZINC000849603451	977829575	/nfs/dbraw/zinc/82/95/75/977829575.db2.gz	FJBZGEUVLFAPLN-KANFNMMFSA-N	1	0	360.502	1.941	20	30		FDEDRO
Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2ccc(CC#N)cc2)cn1	ZINC000849606858	977837079	/nfs/dbraw/zinc/83/70/79/977837079.db2.gz	RTXMEWFFYHVUJJ-RBUKOAKNSA-N	1	0	351.454	1.838	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCC1=O)OCC	ZINC001110616587	978037484	/nfs/dbraw/zinc/03/74/84/978037484.db2.gz	KZWLGPZCLRDRAH-ZJPYXAASSA-N	1	0	363.502	1.702	20	30		FDEDRO
O=C(NCC[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1)C1N=CC=CC1=O	ZINC000850137846	978199677	/nfs/dbraw/zinc/19/96/77/978199677.db2.gz	XOXVZQOIVWJZFZ-NXDJFEHLSA-N	1	0	357.410	1.470	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)cc1	ZINC000850729009	978652330	/nfs/dbraw/zinc/65/23/30/978652330.db2.gz	JHRVXICCYPWYHP-SFHVURJKSA-N	1	0	373.453	1.206	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCNC(=O)COC)C2	ZINC001110623989	978664755	/nfs/dbraw/zinc/66/47/55/978664755.db2.gz	BEGCIJMWEUTGAX-ZACQAIPSSA-N	1	0	351.491	1.607	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)Cc3ccccc3O)CC2)o1	ZINC000109773174	978792080	/nfs/dbraw/zinc/79/20/80/978792080.db2.gz	QOKNIWMIURYBPX-UHFFFAOYSA-N	1	0	369.425	1.341	20	30		FDEDRO
C#CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CCN(c2ccc(C)nn2)CC1	ZINC001110631006	978900552	/nfs/dbraw/zinc/90/05/52/978900552.db2.gz	DRZUMMKLGADWSJ-RBUKOAKNSA-N	1	0	369.513	1.946	20	30		FDEDRO
COC(=O)c1ccc2c(c1)CC[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)C2	ZINC000880350865	979125371	/nfs/dbraw/zinc/12/53/71/979125371.db2.gz	HUTLKWPQNLLYRG-SFHVURJKSA-N	1	0	358.438	1.903	20	30		FDEDRO
C#CCC1(O)CC[NH+](C[C@@H](O)COCc2ccc(OC)c(OC)c2)CC1	ZINC000880477948	979218630	/nfs/dbraw/zinc/21/86/30/979218630.db2.gz	YRKTYNRRVXKMTK-QGZVFWFLSA-N	1	0	363.454	1.432	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(CC(=O)NCCC#N)C2)O1	ZINC000880501380	979252910	/nfs/dbraw/zinc/25/29/10/979252910.db2.gz	LGWGHBSFXREFRH-YLJYHZDGSA-N	1	0	356.470	1.382	20	30		FDEDRO
C#C[C@@](C)(CC)[NH2+][C@@H](C)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1	ZINC000852098329	979349993	/nfs/dbraw/zinc/34/99/93/979349993.db2.gz	KLQCIWSEAFGPNX-BUXKBTBVSA-N	1	0	360.410	1.978	20	30		FDEDRO
C#C[C@@](C)(CC)[NH2+]CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1	ZINC000852098461	979350334	/nfs/dbraw/zinc/35/03/34/979350334.db2.gz	OBQYXDMDFQAHCF-WMZOPIPTSA-N	1	0	354.516	1.726	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1cc(C#N)c(F)cc1F	ZINC000880713532	979405478	/nfs/dbraw/zinc/40/54/78/979405478.db2.gz	PJYPYGHQKZLCRF-GFCCVEGCSA-N	1	0	351.401	1.984	20	30		FDEDRO
C[N@@H+]1CCCN(CCCNS(=O)(=O)c2cc(F)cc(C#N)c2)CC1	ZINC000882523869	980699694	/nfs/dbraw/zinc/69/96/94/980699694.db2.gz	CNADEETXSAASLM-UHFFFAOYSA-N	1	0	354.451	1.003	20	30		FDEDRO
N#Cc1cc2c(nc1N1CCC(C(N)=O)([NH+]3CCCCC3)CC1)CCC2	ZINC000882816606	981709687	/nfs/dbraw/zinc/70/96/87/981709687.db2.gz	QYZYILBBZCILQR-UHFFFAOYSA-N	1	0	353.470	1.752	20	30		FDEDRO
C#CCNC(=O)c1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc1	ZINC000882880531	981770263	/nfs/dbraw/zinc/77/02/63/981770263.db2.gz	XEORVHBQDRJFDM-UHFFFAOYSA-N	1	0	363.465	1.809	20	30		FDEDRO
C=C(C)C[C@@H](CO)NC(=O)NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C	ZINC000883055891	981916325	/nfs/dbraw/zinc/91/63/25/981916325.db2.gz	VVVWXUBKQKZYMH-HOTGVXAUSA-N	1	0	365.474	1.933	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)NCc2ccccc2Cn2ccnc2)CC1	ZINC000883088652	981933759	/nfs/dbraw/zinc/93/37/59/981933759.db2.gz	MSBMJRACNRMGDC-UHFFFAOYSA-N	1	0	352.438	1.991	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(C(=O)Nc3ccc(Br)c(C#N)n3)[C@H]2C1	ZINC000883109802	981953032	/nfs/dbraw/zinc/95/30/32/981953032.db2.gz	DXVKNXKEEVMQLL-SKDRFNHKSA-N	1	0	350.220	1.884	20	30		FDEDRO
C#CCOc1ccc(Br)cc1C[NH2+]C[C@H]1COCCN1C	ZINC000858275489	981954714	/nfs/dbraw/zinc/95/47/14/981954714.db2.gz	ASBWXPBVFVPMIG-HNNXBMFYSA-N	1	0	353.260	1.881	20	30		FDEDRO
C=CCC[C@H]([NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)[C@@H]1CCCO1	ZINC000883184091	982002017	/nfs/dbraw/zinc/00/20/17/982002017.db2.gz	PBJCGBZTZMZTDN-ROUUACIJSA-N	1	0	373.501	1.619	20	30		FDEDRO
C=CCC[C@@H]([NH2+]Cc1nnc2n1CCNC2=O)[C@@H]1Cc2ccccc2O1	ZINC000883304719	982062331	/nfs/dbraw/zinc/06/23/31/982062331.db2.gz	DJMZATYPMDJTRG-ZBFHGGJFSA-N	1	0	353.426	1.450	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CCN1Cc1ccc(OC)cc1	ZINC000858493771	982078404	/nfs/dbraw/zinc/07/84/04/982078404.db2.gz	GVGWIDOJHGNNCI-SFHVURJKSA-N	1	0	358.486	1.524	20	30		FDEDRO
C#CC1([NH2+]Cc2ccc(OCC(=O)N3CCOCC3)c(OC)c2)CCCC1	ZINC000883362765	982095014	/nfs/dbraw/zinc/09/50/14/982095014.db2.gz	NFJGAZPTAPKSJU-UHFFFAOYSA-N	1	0	372.465	1.968	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C2	ZINC001110748574	982098333	/nfs/dbraw/zinc/09/83/33/982098333.db2.gz	JTCDBONRIBMGMO-KURKYZTESA-N	1	0	374.529	1.110	20	30		FDEDRO
C=C(C)C[C@H](CO)[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000883388699	982108532	/nfs/dbraw/zinc/10/85/32/982108532.db2.gz	ARBDBBUKHJFPQJ-NVXWUHKLSA-N	1	0	368.499	1.685	20	30		FDEDRO
N#CCCn1cc(C[NH2+][C@H]2CC(=O)N(CC3CC3)C2)c(-c2ccncc2)n1	ZINC000883403001	982115538	/nfs/dbraw/zinc/11/55/38/982115538.db2.gz	HNXAZEHBJGKOBC-SFHVURJKSA-N	1	0	364.453	1.959	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1	ZINC000968263591	1014807168	/nfs/dbraw/zinc/80/71/68/1014807168.db2.gz	LNWOGTPOLVJMTA-ONIAQPFYSA-N	1	0	363.502	1.367	20	30		FDEDRO
COC(=O)C1(C#N)CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CC1	ZINC000858722374	982245035	/nfs/dbraw/zinc/24/50/35/982245035.db2.gz	MAAOWKROOIKTHG-INIZCTEOSA-N	1	0	362.474	1.882	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N1CCC(CC)([NH+]2CCOCC2)CC1	ZINC000859015493	982459726	/nfs/dbraw/zinc/45/97/26/982459726.db2.gz	WXSRXSCKTFGZGY-QGZVFWFLSA-N	1	0	351.491	1.701	20	30		FDEDRO
CC(C)COC(=O)N1CCC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)CC1	ZINC000859112290	982539968	/nfs/dbraw/zinc/53/99/68/982539968.db2.gz	ALTKDBFMIYTABK-QGZVFWFLSA-N	1	0	367.490	1.858	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C	ZINC000133267715	982653194	/nfs/dbraw/zinc/65/31/94/982653194.db2.gz	BXUGKQVZNZBOPO-CYBMUJFWSA-N	1	0	363.433	1.869	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C	ZINC000133431996	982695432	/nfs/dbraw/zinc/69/54/32/982695432.db2.gz	PNGXXTUVEAUCAE-CYBMUJFWSA-N	1	0	363.433	1.869	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)C1	ZINC000884015856	982702345	/nfs/dbraw/zinc/70/23/45/982702345.db2.gz	GCKZTOIZNNXBCX-NSHDSACASA-N	1	0	368.359	1.439	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnnc1C)C2	ZINC001110771273	982723080	/nfs/dbraw/zinc/72/30/80/982723080.db2.gz	OIZOVJPWFDNWAK-NXHRZFHOSA-N	1	0	369.469	1.321	20	30		FDEDRO
COc1ccc(OC)c2c1CN(C(=O)C1CC3(C1)C[NH2+]C[C@H]3C#N)C[C@H]2O	ZINC000884060906	982792072	/nfs/dbraw/zinc/79/20/72/982792072.db2.gz	OVAQKNXVVZXVMK-OIZAJQKKSA-N	1	0	371.437	1.219	20	30		FDEDRO
CC[C@H](C)NC(=O)c1cccc(CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c1	ZINC000884078515	982832474	/nfs/dbraw/zinc/83/24/74/982832474.db2.gz	OOCZXNCGLLEJHP-YQSFQRMUSA-N	1	0	368.481	1.970	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1cccc(N3CCOC3=O)c1)C2	ZINC000884089334	982849492	/nfs/dbraw/zinc/84/94/92/982849492.db2.gz	MTORWSGATMJMTC-XAUUPUKJSA-N	1	0	354.410	1.399	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccc(OCc3nc(C)no3)nc2)CC1	ZINC000859524847	982894317	/nfs/dbraw/zinc/89/43/17/982894317.db2.gz	KLAFUWYBKIFBTH-UHFFFAOYSA-N	1	0	369.425	1.570	20	30		FDEDRO
C[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccc2c(c1)CC(=O)N2C	ZINC000884124422	982906203	/nfs/dbraw/zinc/90/62/03/982906203.db2.gz	XUDUTDNCKWYTTR-QIROLPSPSA-N	1	0	352.438	1.522	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1	ZINC000859573695	982924663	/nfs/dbraw/zinc/92/46/63/982924663.db2.gz	AUSNYISSUGAXNW-QGZVFWFLSA-N	1	0	365.271	1.398	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCCN1C(=O)COc3ccccc31)C2	ZINC000884151694	982930622	/nfs/dbraw/zinc/93/06/22/982930622.db2.gz	RWWQQMXDOWUKII-RDYUPDBUSA-N	1	0	368.437	1.058	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@@H](O)c1c(F)cccc1Cl)C2	ZINC000884151733	982930719	/nfs/dbraw/zinc/93/07/19/982930719.db2.gz	SRPGCECWCQFOOA-IWQRBREISA-N	1	0	351.809	1.768	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCc3c(cnn3-c3ccccc3)C1)C2	ZINC000884167737	982942867	/nfs/dbraw/zinc/94/28/67/982942867.db2.gz	MYWYQYUEIWXIGS-FIWNRLKKSA-N	1	0	361.449	1.896	20	30		FDEDRO
COc1cc(OC)cc(OCCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c1	ZINC000884173604	982947070	/nfs/dbraw/zinc/94/70/70/982947070.db2.gz	AGJVZPMXRKTDNL-BIWSTMPVSA-N	1	0	359.426	1.338	20	30		FDEDRO
COc1ccc(N2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CC2)cc1	ZINC000884176433	982948801	/nfs/dbraw/zinc/94/88/01/982948801.db2.gz	FRHRAGBJEIUZAZ-NGEICVOHSA-N	1	0	354.454	1.483	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCc3ccccc3CO)=[NH+]C[C@@H]2C1	ZINC000133906259	982951630	/nfs/dbraw/zinc/95/16/30/982951630.db2.gz	OYMKAHRALCSLMT-MRXNPFEDSA-N	1	0	360.458	1.559	20	30		FDEDRO
Cc1cccc(CN2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CC2)c1	ZINC000884179411	982952357	/nfs/dbraw/zinc/95/23/57/982952357.db2.gz	NMIPQQXIUFGEGP-SCCNAQOGSA-N	1	0	352.482	1.779	20	30		FDEDRO
CN(Cc1ccccc1N1CCOCC1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884180592	982953201	/nfs/dbraw/zinc/95/32/01/982953201.db2.gz	DHVKEBQDLKBDLS-IDYZSHNDSA-N	1	0	368.481	1.621	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1	ZINC000884181257	982954222	/nfs/dbraw/zinc/95/42/22/982954222.db2.gz	ZZERXKWRBNRCGQ-SFHVURJKSA-N	1	0	359.470	1.735	20	30		FDEDRO
CCOC(=O)Nc1ccc(NC(=O)NCC2([NH3+])CCOCC2)cc1C#N	ZINC000859665093	982965535	/nfs/dbraw/zinc/96/55/35/982965535.db2.gz	OAXMHHSOAPUIPQ-UHFFFAOYSA-N	1	0	361.402	1.756	20	30		FDEDRO
COc1ccc(N2CCCN(C(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CC2)cc1	ZINC000884197810	982973743	/nfs/dbraw/zinc/97/37/43/982973743.db2.gz	FKRIFIIFRQYBSF-BQIYRTECSA-N	1	0	368.481	1.873	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)[N@@H+]1CCCC[C@@H]1C	ZINC000332560719	983075560	/nfs/dbraw/zinc/07/55/60/983075560.db2.gz	RDFIWBULOIRUNH-KBPBESRZSA-N	1	0	374.489	1.827	20	30		FDEDRO
COCC(=O)N1CCc2cc(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)ccc21	ZINC000884321918	983083931	/nfs/dbraw/zinc/08/39/31/983083931.db2.gz	BNLGGQAVEMFWDY-RDYUPDBUSA-N	1	0	368.437	1.300	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1	ZINC000884326157	983087023	/nfs/dbraw/zinc/08/70/23/983087023.db2.gz	LNEFCAKLLBAHND-NHYWBVRUSA-N	1	0	369.824	1.621	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(N3CCOC3=O)cc1)C2	ZINC000884326873	983088176	/nfs/dbraw/zinc/08/81/76/983088176.db2.gz	DDCZPJAPTCFROM-XAUUPUKJSA-N	1	0	354.410	1.399	20	30		FDEDRO
COC(=O)CC[C@@H](Cc1ccccc1)NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884330287	983090120	/nfs/dbraw/zinc/09/01/20/983090120.db2.gz	JKYJTYIXYJGPCG-KQNFGGRRSA-N	1	0	369.465	1.806	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1	ZINC000884378676	983127434	/nfs/dbraw/zinc/12/74/34/983127434.db2.gz	ZQIYSZWTYVHRTQ-WMZOPIPTSA-N	1	0	365.518	1.936	20	30		FDEDRO
COc1ccc(N(C)CCN(C)C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1	ZINC000884386493	983132030	/nfs/dbraw/zinc/13/20/30/983132030.db2.gz	QONBYLNDPLODFL-LFDOHDQPSA-N	1	0	356.470	1.729	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCc1ccc3c(c1)OC(F)(F)O3)C2	ZINC000884387741	983132649	/nfs/dbraw/zinc/13/26/49/983132649.db2.gz	CTIRWDSKAAJGGP-UIORMTCPSA-N	1	0	363.364	1.806	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C	ZINC000653154762	1014916850	/nfs/dbraw/zinc/91/68/50/1014916850.db2.gz	FMZYTBVWSVYNEA-VEDBGLOESA-N	1	0	364.490	1.103	20	30		FDEDRO
C[C@]1(c2cccc(C#N)c2)NC(=O)N(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)C1=O	ZINC000884482385	983184415	/nfs/dbraw/zinc/18/44/15/983184415.db2.gz	APRYIZVNYFIDOO-WRWLIDTKSA-N	1	0	368.437	1.784	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)c1ccc(C#N)cc1	ZINC000884541466	983232832	/nfs/dbraw/zinc/23/28/32/983232832.db2.gz	FKHUEBCHHHWGNA-GDLCADMTSA-N	1	0	368.359	1.331	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(OC)cnc2F)CC1	ZINC000861741361	983888047	/nfs/dbraw/zinc/88/80/47/983888047.db2.gz	KRMPBODTSNHGID-UHFFFAOYSA-N	1	0	350.394	1.325	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)cc(C)c1OC	ZINC000861872044	983967040	/nfs/dbraw/zinc/96/70/40/983967040.db2.gz	GOKIDDOJMCYUKB-UHFFFAOYSA-N	1	0	351.834	1.667	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2	ZINC001110810005	984028982	/nfs/dbraw/zinc/02/89/82/984028982.db2.gz	BIYWFPUXSKCVMG-UWIFEVILSA-N	1	0	367.453	1.360	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1	ZINC000862091553	984104390	/nfs/dbraw/zinc/10/43/90/984104390.db2.gz	KKISIPJFWKLNEK-KRWDZBQOSA-N	1	0	355.438	1.770	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C	ZINC000862194759	984232396	/nfs/dbraw/zinc/23/23/96/984232396.db2.gz	HPUMLHOTVXTXAO-CJNGLKHVSA-N	1	0	359.426	1.165	20	30		FDEDRO
C=CCNc1ncc(C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)s1	ZINC000653348392	1015043217	/nfs/dbraw/zinc/04/32/17/1015043217.db2.gz	FZIWXLLZKRCDAG-MELADBBJSA-N	1	0	350.488	1.521	20	30		FDEDRO
C#CCNC(=O)C[NH+]1CCC([C@@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1	ZINC000795038026	984634277	/nfs/dbraw/zinc/63/42/77/984634277.db2.gz	CYCKXCAZCQKVPT-RBUKOAKNSA-N	1	0	369.465	1.763	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCC[C@@H]2CNc3ccccc32)CC1	ZINC000884642332	984649663	/nfs/dbraw/zinc/64/96/63/984649663.db2.gz	GSSRQMHLRCJEQN-OAHLLOKOSA-N	1	0	356.470	1.469	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCC3(CC3)CC1)C2	ZINC001110824785	984668042	/nfs/dbraw/zinc/66/80/42/984668042.db2.gz	ZHWDBWZNTZZOSF-DDBAPUKQSA-N	1	0	357.498	1.816	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CCCCC1	ZINC000884786334	984793370	/nfs/dbraw/zinc/79/33/70/984793370.db2.gz	NZORFHMEEOSIHR-QGZVFWFLSA-N	1	0	354.454	1.407	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)NCc1cccc2c1CC[NH2+]C2	ZINC000884845513	984872417	/nfs/dbraw/zinc/87/24/17/984872417.db2.gz	XMLZCOZYPGJTLI-UHFFFAOYSA-N	1	0	367.449	1.799	20	30		FDEDRO
C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1	ZINC000869190275	984934059	/nfs/dbraw/zinc/93/40/59/984934059.db2.gz	HOGRDTNVSAMQIV-KBXCAEBGSA-N	1	0	356.470	1.512	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1	ZINC000885097017	985172552	/nfs/dbraw/zinc/17/25/52/985172552.db2.gz	RCYSOKVJMMUJLU-IRXDYDNUSA-N	1	0	365.518	1.840	20	30		FDEDRO
C[N@@H+]1CCN(CCNS(=O)(=O)c2ccc(CCC#N)cc2)CC1(C)C	ZINC000885166183	985217379	/nfs/dbraw/zinc/21/73/79/985217379.db2.gz	AGNYESCZQZHHIS-UHFFFAOYSA-N	1	0	364.515	1.447	20	30		FDEDRO
N#C[C@@]12CN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C[C@@H]1CS(=O)(=O)C2	ZINC000885317462	985332287	/nfs/dbraw/zinc/33/22/87/985332287.db2.gz	WSBKYRPBPDROGU-RKVPGOIHSA-N	1	0	365.499	1.038	20	30		FDEDRO
C[N@@H+]1CCCN(CCCNS(=O)(=O)c2ccc(CCC#N)cc2)CC1	ZINC000885350681	985352280	/nfs/dbraw/zinc/35/22/80/985352280.db2.gz	UPBMPVDPTXPNHG-UHFFFAOYSA-N	1	0	364.515	1.449	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)n1	ZINC000890254360	985837713	/nfs/dbraw/zinc/83/77/13/985837713.db2.gz	CWDYCGAODGRVIU-KRWDZBQOSA-N	1	0	369.469	1.999	20	30		FDEDRO
C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C#N)cc1F)n1cncn1	ZINC001095333896	985901123	/nfs/dbraw/zinc/90/11/23/985901123.db2.gz	OVDHEVNKGJUFJX-FXBSTXGRSA-N	1	0	368.416	1.772	20	30		FDEDRO
CC[C@H](C[NH+](C)C)OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000870551173	986116342	/nfs/dbraw/zinc/11/63/42/986116342.db2.gz	DPMQVUISOPQXCX-CQSZACIVSA-N	1	0	353.444	1.376	20	30		FDEDRO
CN1CCN(c2cc[nH+]c(NC(=O)Cc3cccc(OCC#N)c3)c2)CC1	ZINC000870666927	986213878	/nfs/dbraw/zinc/21/38/78/986213878.db2.gz	OBDDSUQBCDVFLB-UHFFFAOYSA-N	1	0	365.437	1.917	20	30		FDEDRO
C#CCN(C(=O)c1cc(N)nc(Br)c1)C1CC[NH+](C)CC1	ZINC000886573721	986374007	/nfs/dbraw/zinc/37/40/07/986374007.db2.gz	UJQFINKOAMFNSS-UHFFFAOYSA-N	1	0	351.248	1.596	20	30		FDEDRO
C#CCN(C(=O)Cc1nnc(-c2ccccc2)n1C)C1CC[NH+](C)CC1	ZINC000886576020	986375939	/nfs/dbraw/zinc/37/59/39/986375939.db2.gz	UFLNTYMTVXAGJX-UHFFFAOYSA-N	1	0	351.454	1.581	20	30		FDEDRO
C#CCN(C(=O)Cc1cccc(N2CCCC2=O)c1)C1CC[NH+](C)CC1	ZINC000886577421	986377143	/nfs/dbraw/zinc/37/71/43/986377143.db2.gz	IIUCKQQDYVXURW-UHFFFAOYSA-N	1	0	353.466	1.912	20	30		FDEDRO
C#CCN(C(=O)CN(CCc1ccccc1)C(C)=O)C1CC[NH+](C)CC1	ZINC000886578954	986379666	/nfs/dbraw/zinc/37/96/66/986379666.db2.gz	RXJALPZFOTUXHG-UHFFFAOYSA-N	1	0	355.482	1.634	20	30		FDEDRO
C#CCN(C(=O)c1ccc(N2NC(=O)CCC2=O)cc1)C1CC[NH+](C)CC1	ZINC000886582286	986386322	/nfs/dbraw/zinc/38/63/22/986386322.db2.gz	NMPYMRGISGXBPO-UHFFFAOYSA-N	1	0	368.437	1.014	20	30		FDEDRO
Cn1ccn2c(CC[NH2+][C@H]3CCCCc4cc(C#N)ccc43)nnc2c1=O	ZINC000886698345	986482583	/nfs/dbraw/zinc/48/25/83/986482583.db2.gz	DDJCEEWVQHUSBC-KRWDZBQOSA-N	1	0	362.437	1.899	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)c3c[nH]nc3[C@H]3CC[NH2+]C3)CC2)cc1	ZINC000870981341	986558479	/nfs/dbraw/zinc/55/84/79/986558479.db2.gz	HQZXTNHGRPOJLB-HNNXBMFYSA-N	1	0	350.426	1.321	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CCN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1	ZINC000870981983	986558796	/nfs/dbraw/zinc/55/87/96/986558796.db2.gz	UONAMQWRLOJSTJ-ZDUSSCGKSA-N	1	0	368.416	1.460	20	30		FDEDRO
C=C[C@H](CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1	ZINC000870997987	986572214	/nfs/dbraw/zinc/57/22/14/986572214.db2.gz	CDGOYTADASEGEF-DDBAPUKQSA-N	1	0	355.438	1.740	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1	ZINC000886931333	986744997	/nfs/dbraw/zinc/74/49/97/986744997.db2.gz	LZAYFFQKYSHUEK-ZDUSSCGKSA-N	1	0	352.385	1.969	20	30		FDEDRO
N#Cc1ccc(Cn2cc(NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)cn2)cc1	ZINC000871183160	986770049	/nfs/dbraw/zinc/77/00/49/986770049.db2.gz	VMZLXZXYOQIMKW-GOSISDBHSA-N	1	0	350.426	1.131	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](O)C1	ZINC000968546890	1015267706	/nfs/dbraw/zinc/26/77/06/1015267706.db2.gz	FTJLGGRXWBQDAG-CVEARBPZSA-N	1	0	356.426	1.156	20	30		FDEDRO
CN1CC[NH+](CC2CCN(C(=O)Nc3cc(CC#N)ccn3)CC2)CC1	ZINC000871721037	987208261	/nfs/dbraw/zinc/20/82/61/987208261.db2.gz	ISTAMLVXXWXYJA-UHFFFAOYSA-N	1	0	356.474	1.639	20	30		FDEDRO
CCN(CC(F)(F)F)C(=O)CON=C(N)c1ccc(C[NH+](C)C)cc1	ZINC000871735371	987212562	/nfs/dbraw/zinc/21/25/62/987212562.db2.gz	QYLBSAWIYUZDNK-UHFFFAOYSA-N	1	0	360.380	1.796	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(-c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)c1	ZINC000871796576	987245158	/nfs/dbraw/zinc/24/51/58/987245158.db2.gz	ABZDOKPNOIEKAJ-GOOCMWNKSA-N	1	0	372.450	1.646	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1	ZINC000871804860	987249200	/nfs/dbraw/zinc/24/92/00/987249200.db2.gz	HTQURFGHLMWGFZ-IAGOWNOFSA-N	1	0	363.483	1.774	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1	ZINC000871805641	987250193	/nfs/dbraw/zinc/25/01/93/987250193.db2.gz	NARVPNZLRWZQAD-IAGOWNOFSA-N	1	0	363.483	1.774	20	30		FDEDRO
N#CCc1ccc(CS(=O)(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)cc1	ZINC000871809739	987255370	/nfs/dbraw/zinc/25/53/70/987255370.db2.gz	BJLPLQKABITARU-IBGZPJMESA-N	1	0	355.463	1.887	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1	ZINC000871812642	987263716	/nfs/dbraw/zinc/26/37/16/987263716.db2.gz	IYWBKBVFRRVODJ-CABZTGNLSA-N	1	0	351.325	1.455	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1	ZINC000872186770	987487714	/nfs/dbraw/zinc/48/77/14/987487714.db2.gz	NJQGZWCJMBNQJO-KGLIPLIRSA-N	1	0	368.359	1.112	20	30		FDEDRO
C=CCCN(OCc1ccccc1)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1	ZINC000872192141	987497759	/nfs/dbraw/zinc/49/77/59/987497759.db2.gz	FGOKIDRMIUZQLT-FXAWDEMLSA-N	1	0	357.454	1.591	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H]2CC3(CO2)CCOCC3)c1	ZINC000872230514	987530189	/nfs/dbraw/zinc/53/01/89/987530189.db2.gz	DBXDFYLIJWALEZ-INIZCTEOSA-N	1	0	364.467	1.507	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[NH2+]Cc2ccc(CN3CCNC3=O)cc2)cc1	ZINC000872234727	987532919	/nfs/dbraw/zinc/53/29/19/987532919.db2.gz	GDKMQMMFTDYZBA-LJQANCHMSA-N	1	0	350.422	1.907	20	30		FDEDRO
Cn1ncc(I)c1C[NH2+]C[C@@H](O)CC1(C#N)CC1	ZINC000872241569	987537825	/nfs/dbraw/zinc/53/78/25/987537825.db2.gz	FZPXLGWBHMFSTB-VIFPVBQESA-N	1	0	360.199	1.169	20	30		FDEDRO
CC1(C)[C@H]2[C@H](CCC[N@@H+]2CC#CCN2C(=O)c3ccccc3C2=O)[C@@H]1O	ZINC000872262393	987556621	/nfs/dbraw/zinc/55/66/21/987556621.db2.gz	BOMVFHZQGBCWJL-KSZLIROESA-N	1	0	352.434	1.767	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1C#N	ZINC000293160976	987980297	/nfs/dbraw/zinc/98/02/97/987980297.db2.gz	IKKOYKGRFXHDCI-FQEVSTJZSA-N	1	0	370.453	1.838	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1)C[NH+](C)C	ZINC000293194366	987987623	/nfs/dbraw/zinc/98/76/23/987987623.db2.gz	NZWMNEJAEGCZRN-MRXNPFEDSA-N	1	0	364.449	1.734	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CN(CN3CC(=O)N(Cc4ccccc4C#N)C3=O)CC[C@H]21	ZINC000872726859	988013358	/nfs/dbraw/zinc/01/33/58/988013358.db2.gz	WUQLHJVTENLANM-ZWKOTPCHSA-N	1	0	367.453	1.306	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccnc(Oc2ccccc2)c1	ZINC000293278594	988014017	/nfs/dbraw/zinc/01/40/17/988014017.db2.gz	GAGOQAGLEDCYFK-UHFFFAOYSA-N	1	0	366.421	1.884	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)CC1	ZINC000360436607	988033235	/nfs/dbraw/zinc/03/32/35/988033235.db2.gz	MOCPNDAFMLZCKP-JKSUJKDBSA-N	1	0	367.490	1.513	20	30		FDEDRO
CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(C#N)cn2)C1	ZINC000293554238	988111130	/nfs/dbraw/zinc/11/11/30/988111130.db2.gz	ZFMBLQIZNZXGIS-CQSZACIVSA-N	1	0	357.458	1.909	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1	ZINC000872862512	988198385	/nfs/dbraw/zinc/19/83/85/988198385.db2.gz	IBPNVDCGQWYMQN-QGZVFWFLSA-N	1	0	364.534	1.333	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)cn1	ZINC000872875248	988219572	/nfs/dbraw/zinc/21/95/72/988219572.db2.gz	DCLFMUPWPYGVDF-MSOLQXFVSA-N	1	0	354.458	1.412	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1ccc(OCc2noc(CC)n2)cc1	ZINC000294087638	988301753	/nfs/dbraw/zinc/30/17/53/988301753.db2.gz	XHGLEOXBRXAKPX-UHFFFAOYSA-N	1	0	356.426	1.896	20	30		FDEDRO
O=C(C#Cc1ccc2c(c1)OCO2)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1	ZINC000361258279	988313957	/nfs/dbraw/zinc/31/39/57/988313957.db2.gz	OKACGCVEJNTLCN-IAGOWNOFSA-N	1	0	356.422	1.384	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000361629173	988429828	/nfs/dbraw/zinc/42/98/28/988429828.db2.gz	IJESXCMNVWUPQU-IAGOWNOFSA-N	1	0	370.453	1.284	20	30		FDEDRO
C#CCO[C@H](C)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000294691427	988528365	/nfs/dbraw/zinc/52/83/65/988528365.db2.gz	SKTFHRRFLXIIPJ-QAPCUYQASA-N	1	0	357.454	1.038	20	30		FDEDRO
C#CCCOc1ccc(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1	ZINC000294716491	988530926	/nfs/dbraw/zinc/53/09/26/988530926.db2.gz	ZFVARQPZFMXSBX-LJQANCHMSA-N	1	0	371.481	1.761	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1C#N	ZINC000873105596	988561695	/nfs/dbraw/zinc/56/16/95/988561695.db2.gz	ZGVQMVPPMSNGMB-PWSUYJOCSA-N	1	0	354.332	1.401	20	30		FDEDRO
C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(CCN3CCOCC3)C2)cc1	ZINC000366300046	988606271	/nfs/dbraw/zinc/60/62/71/988606271.db2.gz	PZPPDZWVKAQHSM-QUCCMNQESA-N	1	0	357.498	1.756	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000299589730	988613565	/nfs/dbraw/zinc/61/35/65/988613565.db2.gz	DCLZEWHNZPEXFL-OAHLLOKOSA-N	1	0	367.453	1.969	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1	ZINC000366418249	988686231	/nfs/dbraw/zinc/68/62/31/988686231.db2.gz	BCRZQDQJRCIVQH-UHOFOFEASA-N	1	0	372.400	1.055	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccnn2C)CC1	ZINC000366419594	988687646	/nfs/dbraw/zinc/68/76/46/988687646.db2.gz	LXMUOFYVLZQNDB-MAUKXSAKSA-N	1	0	359.474	1.096	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1	ZINC000362876446	988758416	/nfs/dbraw/zinc/75/84/16/988758416.db2.gz	CCPYJJFEZBIANF-GOSISDBHSA-N	1	0	373.501	1.563	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)C1=O	ZINC000366881516	988832444	/nfs/dbraw/zinc/83/24/44/988832444.db2.gz	JNVIRCIYMGMZRK-IHPCNDPISA-N	1	0	357.498	1.995	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C(=O)Nc3nc(C)cs3)C2)CC1	ZINC000363086724	988911584	/nfs/dbraw/zinc/91/15/84/988911584.db2.gz	GIRMOWGIKYGVPS-INIZCTEOSA-N	1	0	374.510	1.974	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc1C#N	ZINC000873655827	988943067	/nfs/dbraw/zinc/94/30/67/988943067.db2.gz	NAAGXBDMSIURRS-CQSZACIVSA-N	1	0	358.442	1.886	20	30		FDEDRO
C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1c1c(C#N)c(=O)n(C)c(=O)n1C	ZINC000363170355	988969802	/nfs/dbraw/zinc/96/98/02/988969802.db2.gz	GUJHKYMFLBLPIM-OAHLLOKOSA-N	1	0	367.453	1.056	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNC(=O)[C@]2(C#N)CCc3ccccc3C2)CC1	ZINC000368586948	988999188	/nfs/dbraw/zinc/99/91/88/988999188.db2.gz	AMRGLERTZLGBMZ-DYESRHJHSA-N	1	0	354.498	1.827	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)NC2CCCCC2)C1	ZINC000368802889	989008995	/nfs/dbraw/zinc/00/89/95/989008995.db2.gz	UAZAUDOQKYRMES-LSDHHAIUSA-N	1	0	364.490	1.548	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C(=O)N3CCCCCC3)C2)CC1	ZINC000369001453	989020091	/nfs/dbraw/zinc/02/00/91/989020091.db2.gz	LTZZZOHNXXOPEG-IBGZPJMESA-N	1	0	359.514	1.973	20	30		FDEDRO
CCCN1CC[NH+](C2CCN(CC(=O)N[C@@](C)(C#N)C3CC3)CC2)CC1	ZINC000369156749	989031652	/nfs/dbraw/zinc/03/16/52/989031652.db2.gz	PVUFIHJOSUACAT-FQEVSTJZSA-N	1	0	361.534	1.287	20	30		FDEDRO
CCCN1CC[NH+](C2CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC2)CC1	ZINC000369153424	989031828	/nfs/dbraw/zinc/03/18/28/989031828.db2.gz	CUIHPLOAEATYKS-FQEVSTJZSA-N	1	0	363.550	1.533	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1C#N	ZINC000873708529	989032329	/nfs/dbraw/zinc/03/23/29/989032329.db2.gz	SPGYESDWNXOFDE-MRXNPFEDSA-N	1	0	356.426	1.592	20	30		FDEDRO
CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(OC)c(C#N)c1	ZINC000873712454	989042131	/nfs/dbraw/zinc/04/21/31/989042131.db2.gz	YWDOTDDZROPVAF-MRXNPFEDSA-N	1	0	358.442	1.886	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCc3ccc(OCC#N)cc3)CC2)C1	ZINC000369394039	989051027	/nfs/dbraw/zinc/05/10/27/989051027.db2.gz	FSGNTZNRPZTEPY-SFHVURJKSA-N	1	0	371.485	1.510	20	30		FDEDRO
CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(OC)c(C#N)c2)C1	ZINC000873739081	989095713	/nfs/dbraw/zinc/09/57/13/989095713.db2.gz	ZANRDMQPAZGIFI-CQSZACIVSA-N	1	0	358.442	1.696	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)c1	ZINC000369724314	989120760	/nfs/dbraw/zinc/12/07/60/989120760.db2.gz	VBWHCYRNKPBDRB-QGZVFWFLSA-N	1	0	365.437	1.500	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1C#N	ZINC000873831404	989274985	/nfs/dbraw/zinc/27/49/85/989274985.db2.gz	AXIONZCWMHSZMM-XJKSGUPXSA-N	1	0	356.426	1.448	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)C1	ZINC000369937788	989324886	/nfs/dbraw/zinc/32/48/86/989324886.db2.gz	RIIDMMISLYDYOC-ZWKOTPCHSA-N	1	0	371.485	1.315	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1	ZINC000369938806	989324916	/nfs/dbraw/zinc/32/49/16/989324916.db2.gz	ZUUSDFYIWJPWAD-MVZUJROASA-N	1	0	374.485	1.816	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCN(c2ncnc3ccsc32)CC1	ZINC000296931288	989450542	/nfs/dbraw/zinc/45/05/42/989450542.db2.gz	OXKQBMDXQWVPCS-UHFFFAOYSA-N	1	0	372.498	1.478	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)c1ccccc1	ZINC000873927433	989466031	/nfs/dbraw/zinc/46/60/31/989466031.db2.gz	BUNANUVEZYSSHJ-SFHVURJKSA-N	1	0	365.437	1.579	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1C#N	ZINC000873938899	989489612	/nfs/dbraw/zinc/48/96/12/989489612.db2.gz	XHUSYNIICZQYIW-JKSUJKDBSA-N	1	0	356.426	1.638	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NC[C@H](c1ccccc1)N1CCOCC1	ZINC000297390169	989525642	/nfs/dbraw/zinc/52/56/42/989525642.db2.gz	HEDWJZYEXQQEDQ-LJQANCHMSA-N	1	0	358.486	1.314	20	30		FDEDRO
C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1	ZINC000364350085	989545488	/nfs/dbraw/zinc/54/54/88/989545488.db2.gz	DZLQGXBGVCKDIZ-MSOLQXFVSA-N	1	0	354.454	1.602	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1	ZINC000297824545	989711746	/nfs/dbraw/zinc/71/17/46/989711746.db2.gz	QFCFTENEJBHJQO-QGZVFWFLSA-N	1	0	359.470	1.924	20	30		FDEDRO
CCc1nc(CN2C[C@@H]3C[NH+](CC(=O)N(CC)C[C@@H](C)C#N)C[C@H]3C2)no1	ZINC000370746144	989964784	/nfs/dbraw/zinc/96/47/84/989964784.db2.gz	YSFPPVGACPVWOP-ARFHVFGLSA-N	1	0	374.489	1.004	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H]2C[NH+](C)C)s1	ZINC000874302050	990064139	/nfs/dbraw/zinc/06/41/39/990064139.db2.gz	NACSKKFPBAKNDT-ZDUSSCGKSA-N	1	0	371.528	1.308	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1	ZINC000365191119	990092390	/nfs/dbraw/zinc/09/23/90/990092390.db2.gz	QSJSBXGTXQYYJB-NRXGSXMXSA-N	1	0	360.433	1.695	20	30		FDEDRO
CC#CCCCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC[NH+](C)C	ZINC000298554835	990157107	/nfs/dbraw/zinc/15/71/07/990157107.db2.gz	LPEBUONUHVELSG-LJQANCHMSA-N	1	0	355.482	1.811	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)cc1	ZINC000874366441	990188586	/nfs/dbraw/zinc/18/85/86/990188586.db2.gz	VAYLEVXAFFKWBZ-IAGOWNOFSA-N	1	0	370.453	1.236	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000371119077	990262075	/nfs/dbraw/zinc/26/20/75/990262075.db2.gz	RLWRMKWETHRYMB-QRWLVFNGSA-N	1	0	369.469	1.773	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CCC[N@@H+](C)C2)s1	ZINC000874446377	990286971	/nfs/dbraw/zinc/28/69/71/990286971.db2.gz	ICWKLYIIXZWUBA-CYBMUJFWSA-N	1	0	371.528	1.213	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCC1=O	ZINC001095433829	990372498	/nfs/dbraw/zinc/37/24/98/990372498.db2.gz	ITGLVAHURZJJHE-ZBRFXRBCSA-N	1	0	361.486	1.312	20	30		FDEDRO
N#CC1(NC(=O)[C@H]2CCCN(C(N)=O)C2)CC[NH+](Cc2ccccc2)CC1	ZINC000371533513	990508295	/nfs/dbraw/zinc/50/82/95/990508295.db2.gz	HNVDUVFYHZASMM-KRWDZBQOSA-N	1	0	369.469	1.452	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1	ZINC000874994488	990695667	/nfs/dbraw/zinc/69/56/67/990695667.db2.gz	PFDNLFOEAMPTIZ-ROUUACIJSA-N	1	0	357.454	1.094	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC2(CCNC2=O)CC1)C(C)C	ZINC000875087438	990867651	/nfs/dbraw/zinc/86/76/51/990867651.db2.gz	MEVZPWYQBZOYQV-QGZVFWFLSA-N	1	0	362.518	1.997	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1	ZINC000875098328	990890178	/nfs/dbraw/zinc/89/01/78/990890178.db2.gz	XPCFMGXSHAZFTK-UHFFFAOYSA-N	1	0	370.457	1.893	20	30		FDEDRO
CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000372215816	990965702	/nfs/dbraw/zinc/96/57/02/990965702.db2.gz	FYLKFQNZPDDJNL-STXHMFSFSA-N	1	0	369.469	1.772	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCN(CC(=O)NCc3cccc(C#N)c3)CC2)CCO1	ZINC000372552477	991205770	/nfs/dbraw/zinc/20/57/70/991205770.db2.gz	JGSQGLKSSQXMHP-INIZCTEOSA-N	1	0	356.470	1.360	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+](CC=C)[C@@H](C)c2cccc(-n3cnnn3)c2)C1=O	ZINC000410368137	991273269	/nfs/dbraw/zinc/27/32/69/991273269.db2.gz	LYVZQVNHIKMMFN-MAUKXSAKSA-N	1	0	352.442	1.998	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1	ZINC000875606474	991797440	/nfs/dbraw/zinc/79/74/40/991797440.db2.gz	VLGAHFCVKXBUFM-ZWKOTPCHSA-N	1	0	363.502	1.256	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2C)CC1	ZINC000875607454	991798222	/nfs/dbraw/zinc/79/82/22/991798222.db2.gz	JQHNNTMARBLOHF-IBGZPJMESA-N	1	0	371.481	1.184	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)[C@H](O)c1cc(OC)ccc1OC	ZINC000875621886	991817812	/nfs/dbraw/zinc/81/78/12/991817812.db2.gz	BVSJVUOCABSBGQ-KDOFPFPSSA-N	1	0	363.458	1.380	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(OC)cc1	ZINC000373178401	991980697	/nfs/dbraw/zinc/98/06/97/991980697.db2.gz	LNSWLSZNUXTUCB-LPHOPBHVSA-N	1	0	374.485	1.680	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2	ZINC000373179512	991981599	/nfs/dbraw/zinc/98/15/99/991981599.db2.gz	OYNQKUPNYZLMRF-OAQYLSRUSA-N	1	0	370.497	1.986	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2nn(C)cc2I)CC1	ZINC000875888446	992139695	/nfs/dbraw/zinc/13/96/95/992139695.db2.gz	RTQSKMAMTWENEE-UHFFFAOYSA-N	1	0	372.210	1.308	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(CCN2CCOCC2)c2ccccc2F)CC1	ZINC000875940117	992209722	/nfs/dbraw/zinc/20/97/22/992209722.db2.gz	FFNYXMZXWTVMLP-UHFFFAOYSA-N	1	0	373.472	1.836	20	30		FDEDRO
C=CCOCC(=O)N(C)c1cc([N+](=O)[O-])cc(N2CC[NH+](CC)CC2)c1	ZINC000876230822	992492356	/nfs/dbraw/zinc/49/23/56/992492356.db2.gz	LCRPUCUVVRJWOJ-UHFFFAOYSA-N	1	0	362.430	1.902	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCC([N@@H+]3CC[C@H](O)C3)CC1)C2	ZINC000876278662	992518858	/nfs/dbraw/zinc/51/88/58/992518858.db2.gz	HMWHCUFOCATNSM-HKUYNNGSSA-N	1	0	354.454	1.266	20	30		FDEDRO
C=CC[N@@H+](C)CCN(CC)CC(=O)N1CCC(C(=O)N2CCCC2)CC1	ZINC000411637515	992523546	/nfs/dbraw/zinc/52/35/46/992523546.db2.gz	FXALVEXPSXFXQB-UHFFFAOYSA-N	1	0	364.534	1.287	20	30		FDEDRO
COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000876474271	992644800	/nfs/dbraw/zinc/64/48/00/992644800.db2.gz	ALLJKHPTCRUPDM-FQEVSTJZSA-N	1	0	357.454	1.661	20	30		FDEDRO
COC(=O)[C@H]1CN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC[N@H+](C)C1	ZINC000411924707	992708770	/nfs/dbraw/zinc/70/87/70/992708770.db2.gz	YDVSSDDCFSEOCN-GXTWGEPZSA-N	1	0	362.430	1.132	20	30		FDEDRO
CCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876634447	992759902	/nfs/dbraw/zinc/75/99/02/992759902.db2.gz	RLINVMMRXRILBD-SJLPKXTDSA-N	1	0	354.454	1.510	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@@H](O)c1c(F)cccc1F	ZINC000876677092	992788415	/nfs/dbraw/zinc/78/84/15/992788415.db2.gz	HGQNHRWYSNXKCF-SJLPKXTDSA-N	1	0	357.360	1.873	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NCCN1CCN(c2ccc(F)cc2)CC1	ZINC000876780789	992907008	/nfs/dbraw/zinc/90/70/08/992907008.db2.gz	BRPCVTBMTMPCLG-MRXNPFEDSA-N	1	0	354.857	1.534	20	30		FDEDRO
CCOC(=O)CNC(=O)C1CC[NH+](Cc2cc(C#N)ccc2N(C)C)CC1	ZINC000876811057	992923439	/nfs/dbraw/zinc/92/34/39/992923439.db2.gz	GQYMOLUYLYGYKK-UHFFFAOYSA-N	1	0	372.469	1.516	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCC[C@H]1C(=O)Nc2ccccc21	ZINC000876872507	992943101	/nfs/dbraw/zinc/94/31/01/992943101.db2.gz	FVJWFVXEOSLPEZ-MJGOQNOKSA-N	1	0	360.417	1.987	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N(Cc1cccnc1)[C@@H]1CCS(=O)(=O)C1	ZINC000876873588	992943980	/nfs/dbraw/zinc/94/39/80/992943980.db2.gz	KTEITJHECPRSHI-ZIAGYGMSSA-N	1	0	357.863	1.067	20	30		FDEDRO
N#CC1(NC(=O)Cn2cc([N+](=O)[O-])cn2)CC[NH+](Cc2ccccc2)CC1	ZINC000374905412	992966256	/nfs/dbraw/zinc/96/62/56/992966256.db2.gz	YFGHHNAMDMWQKR-UHFFFAOYSA-N	1	0	368.397	1.466	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC([C@H](O)C(F)(F)F)CC1	ZINC000876940972	992975896	/nfs/dbraw/zinc/97/58/96/992975896.db2.gz	CKBBTZIPENUXIW-HOTGVXAUSA-N	1	0	367.371	1.907	20	30		FDEDRO
CN(CC(=O)N[C@@](C)(C#N)C1CC1)C1CC[NH+](CCc2ccncc2)CC1	ZINC000375010371	992982127	/nfs/dbraw/zinc/98/21/27/992982127.db2.gz	ASZTWSSSNZHLLF-NRFANRHFSA-N	1	0	369.513	1.829	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1	ZINC000876969576	992989478	/nfs/dbraw/zinc/98/94/78/992989478.db2.gz	UBEHDQLEFWVGFD-HUUCEWRRSA-N	1	0	371.890	1.889	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@H](n1cccn1)C(F)(F)F	ZINC000876991609	992997831	/nfs/dbraw/zinc/99/78/31/992997831.db2.gz	REQJKRARNAUUIV-LSDHHAIUSA-N	1	0	363.343	1.861	20	30		FDEDRO
Cc1ccccc1CN1CCO[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1	ZINC000877229969	993123478	/nfs/dbraw/zinc/12/34/78/993123478.db2.gz	UOPPJOLTGVDPNP-RBUKOAKNSA-N	1	0	358.486	1.723	20	30		FDEDRO
Cc1cc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c(C#N)cc1[N+](=O)[O-]	ZINC000413212505	993155937	/nfs/dbraw/zinc/15/59/37/993155937.db2.gz	XEQMUBQFPOMUSH-HNNXBMFYSA-N	1	0	357.414	1.518	20	30		FDEDRO
C[C@H]([NH2+][C@H]1CCCC[C@H]1N1CCOCC1)C(=O)NC1(C#N)CCCCC1	ZINC000375470355	993164775	/nfs/dbraw/zinc/16/47/75/993164775.db2.gz	JJYZKYMCUFIAFU-OKZBNKHCSA-N	1	0	362.518	1.951	20	30		FDEDRO
C[C@H]([NH2+][C@H]1CCCC[C@@H]1N1CCOCC1)C(=O)NC1(C#N)CCCCC1	ZINC000375470343	993165464	/nfs/dbraw/zinc/16/54/64/993165464.db2.gz	JJYZKYMCUFIAFU-BZSNNMDCSA-N	1	0	362.518	1.951	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)[C@@H](C[NH3+])c3ccc(F)cc3)CC2)cn1	ZINC000877297374	993194907	/nfs/dbraw/zinc/19/49/07/993194907.db2.gz	RKSYDAYSMFRCCK-SFHVURJKSA-N	1	0	353.401	1.483	20	30		FDEDRO
CCS(=O)(=O)N1CCC(C[NH2+]Cc2cc(C#N)cnc2Cl)CC1	ZINC000877339880	993226064	/nfs/dbraw/zinc/22/60/64/993226064.db2.gz	HOGIKEIULOHTKE-UHFFFAOYSA-N	1	0	356.879	1.758	20	30		FDEDRO
COC(=O)c1cn(C2CC[NH+](Cc3cc(C#N)ccc3N(C)C)CC2)nn1	ZINC000877346385	993234878	/nfs/dbraw/zinc/23/48/78/993234878.db2.gz	RNCXZDCEKSNRMV-UHFFFAOYSA-N	1	0	368.441	1.839	20	30		FDEDRO
C=CCC[N@@H+](C)CC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1	ZINC000467292475	993287478	/nfs/dbraw/zinc/28/74/78/993287478.db2.gz	BILOMXAMMZGJLJ-UHFFFAOYSA-N	1	0	372.513	1.894	20	30		FDEDRO
N#CCOc1ccc(CN2CCC([NH+]3CCC(C(N)=O)CC3)CC2)cc1	ZINC001137121294	993308523	/nfs/dbraw/zinc/30/85/23/993308523.db2.gz	BTLUHQGBLVIPSF-UHFFFAOYSA-N	1	0	356.470	1.751	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1	ZINC000968869975	1015788360	/nfs/dbraw/zinc/78/83/60/1015788360.db2.gz	JOPWUFRMTJWAPC-GJYPPUQNSA-N	1	0	356.426	1.238	20	30		FDEDRO
C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1	ZINC000469044219	993748611	/nfs/dbraw/zinc/74/86/11/993748611.db2.gz	SBLZHAVKLLGOJB-AWEZNQCLSA-N	1	0	354.410	1.742	20	30		FDEDRO
Cc1cc(C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)nn1-c1cccc(C#N)c1	ZINC000470053735	993940630	/nfs/dbraw/zinc/94/06/30/993940630.db2.gz	BYUSKYKTKIPMDB-INIZCTEOSA-N	1	0	367.453	1.581	20	30		FDEDRO
Cc1nn(C)c(N2CC[NH+](C[C@H](O)CC3(CO)CCCC3)CC2)c1C#N	ZINC000878494040	993982955	/nfs/dbraw/zinc/98/29/55/993982955.db2.gz	GUUDVPYNPUGCQF-MRXNPFEDSA-N	1	0	361.490	1.026	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2CCCCC2=O)C3)c1	ZINC001095678415	993991738	/nfs/dbraw/zinc/99/17/38/993991738.db2.gz	LUZXYGNENJSFNP-QYZOEREBSA-N	1	0	366.465	1.792	20	30		FDEDRO
C=CC[C@@H](C(=O)OC)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000878606666	994057896	/nfs/dbraw/zinc/05/78/96/994057896.db2.gz	NONKHYASVHPMBX-PMACEKPBSA-N	1	0	357.498	1.996	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Cc2c(Br)cnn2C)CC1	ZINC000878750359	994192175	/nfs/dbraw/zinc/19/21/75/994192175.db2.gz	BKACGZPMIMGYRU-UHFFFAOYSA-N	1	0	355.280	1.882	20	30		FDEDRO
C[C@@H]1C[N@@H+](C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C[C@H](C)N1CC#N	ZINC000878772043	994214709	/nfs/dbraw/zinc/21/47/09/994214709.db2.gz	CYNCBLYNXOFDBU-RVKKMQEKSA-N	1	0	352.479	1.276	20	30		FDEDRO
C#CCNC(=O)CC[N@H+]1CC[C@H](Oc2cncc(Br)c2)C1	ZINC000878876021	994313325	/nfs/dbraw/zinc/31/33/25/994313325.db2.gz	IRMLYMGGCRVOTH-ZDUSSCGKSA-N	1	0	352.232	1.437	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)NCCCCCN2CC[NH2+]CC2)cc1	ZINC000923679859	994380705	/nfs/dbraw/zinc/38/07/05/994380705.db2.gz	MITMMAXUMWSNCT-UHFFFAOYSA-N	1	0	350.488	1.053	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1cc(C)n(C)n1)C2	ZINC000965140941	1015857236	/nfs/dbraw/zinc/85/72/36/1015857236.db2.gz	JXBNMOWEEGFEDT-INFDXNDLSA-N	1	0	358.486	1.837	20	30		FDEDRO
C=CCN1CC[C@H](OC(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)C1=O	ZINC000924188242	994465643	/nfs/dbraw/zinc/46/56/43/994465643.db2.gz	YVOAZNGWKIMXMK-HKMNZKMDSA-N	1	0	358.438	1.970	20	30		FDEDRO
CN(C)c1cc[nH+]c(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1	ZINC000924649893	994911493	/nfs/dbraw/zinc/91/14/93/994911493.db2.gz	SWCLRRXJTAFHSD-UHFFFAOYSA-N	1	0	365.441	1.446	20	30		FDEDRO
COC(=O)CCN(CC#N)[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000879474730	994935918	/nfs/dbraw/zinc/93/59/18/994935918.db2.gz	VTPWIHZEPMQALC-SJLPKXTDSA-N	1	0	372.469	1.154	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H]3CSC[C@H]3C2)CC1	ZINC000879563064	995011680	/nfs/dbraw/zinc/01/16/80/995011680.db2.gz	PZGMSFOWZCYDEM-BBWFWOEESA-N	1	0	350.532	1.364	20	30		FDEDRO
C[NH+](C)C[C@@H]1NC(=O)N(C2CCC(Oc3ncccc3C#N)CC2)C1=O	ZINC000924832036	995044647	/nfs/dbraw/zinc/04/46/47/995044647.db2.gz	FDNXCXWKRUAGIK-NRXISQOPSA-N	1	0	357.414	1.125	20	30		FDEDRO
C[NH+]1CCC(NC(=O)CN2CCN(c3ccc(F)cc3C#N)CC2)CC1	ZINC000879590844	995056996	/nfs/dbraw/zinc/05/69/96/995056996.db2.gz	LZHOIHKUEKSLNL-UHFFFAOYSA-N	1	0	359.449	1.030	20	30		FDEDRO
C#CCNC(=O)C[N@H+]1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1	ZINC000879653047	995137067	/nfs/dbraw/zinc/13/70/67/995137067.db2.gz	KZXWNMVSPSKHQR-IBGZPJMESA-N	1	0	351.491	1.999	20	30		FDEDRO
CC(C)CC(=O)N1CCC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)CC1	ZINC000879761728	995258816	/nfs/dbraw/zinc/25/88/16/995258816.db2.gz	PERLDDRQLCANRI-KRWDZBQOSA-N	1	0	351.491	1.638	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCC(F)(F)F	ZINC001110898351	995275053	/nfs/dbraw/zinc/27/50/53/995275053.db2.gz	BZIZVZDWONXZMV-SYQHCUMBSA-N	1	0	364.408	1.860	20	30		FDEDRO
CC(=O)[C@@](C#N)(CC[NH+]1CCC(c2nnnn2C)CC1)c1ccccc1	ZINC000879917558	995387954	/nfs/dbraw/zinc/38/79/54/995387954.db2.gz	URXKPIUASAJWPX-IBGZPJMESA-N	1	0	352.442	1.830	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1=O	ZINC000925351549	995524875	/nfs/dbraw/zinc/52/48/75/995524875.db2.gz	KWDIMMPFRPBGBI-NXHRZFHOSA-N	1	0	357.454	1.878	20	30		FDEDRO
C=C(Cl)C[C@@H]1NC(=O)N(C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)C1=O	ZINC000925409863	995572670	/nfs/dbraw/zinc/57/26/70/995572670.db2.gz	XGQWGARSQIPPRQ-KCQAQPDRSA-N	1	0	365.865	1.866	20	30		FDEDRO
COc1ccc(C[NH2+][C@H](C)C2CCN(S(C)(=O)=O)CC2)cc1C#N	ZINC000925595993	995683505	/nfs/dbraw/zinc/68/35/05/995683505.db2.gz	UGBPLPJQVJGJKE-CYBMUJFWSA-N	1	0	351.472	1.717	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@H]([NH2+]C2CCOCC2)C1	ZINC000880212101	995723599	/nfs/dbraw/zinc/72/35/99/995723599.db2.gz	YGNMWDOYTIWOMW-HHXXYDBFSA-N	1	0	350.507	1.662	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)CN2CCC[C@H]([NH2+]C3CCOCC3)C2)cc1	ZINC000880212932	995724256	/nfs/dbraw/zinc/72/42/56/995724256.db2.gz	OGCIBIANMBROHX-RBUKOAKNSA-N	1	0	359.470	1.531	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)cn2)[C@H](C)C1	ZINC000780469337	995807191	/nfs/dbraw/zinc/80/71/91/995807191.db2.gz	WOTYKHSQGGJJMC-QAPCUYQASA-N	1	0	359.474	1.889	20	30		FDEDRO
CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)COc3cccc(C#N)c3)C2)[C@@H]1C(C)C	ZINC000926254400	995999759	/nfs/dbraw/zinc/99/97/59/995999759.db2.gz	IROBKXJOLGNFTC-RMVXJAJNSA-N	1	0	371.481	1.923	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1	ZINC000926789959	996303810	/nfs/dbraw/zinc/30/38/10/996303810.db2.gz	HSOGDMAXCOLLCT-GOSISDBHSA-N	1	0	359.470	1.351	20	30		FDEDRO
CCO[C@H](CNC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)C[NH+](C)C	ZINC000926835432	996331393	/nfs/dbraw/zinc/33/13/93/996331393.db2.gz	COPHNNRKZNXZSK-QZTJIDSGSA-N	1	0	360.458	1.608	20	30		FDEDRO
CCN(C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H]1CC[NH2+]C1	ZINC000886997574	996811495	/nfs/dbraw/zinc/81/14/95/996811495.db2.gz	OKDJIIKIXCYIFX-NSHDSACASA-N	1	0	352.341	1.309	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc1Cl	ZINC000887032717	996843839	/nfs/dbraw/zinc/84/38/39/996843839.db2.gz	MFRHQNIDHVSLGO-SNVBAGLBSA-N	1	0	356.760	1.511	20	30		FDEDRO
C[C@@H]1CN(c2cc[nH+]cc2)CCN1CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000887133393	996959911	/nfs/dbraw/zinc/95/99/11/996959911.db2.gz	ZVYKHDYCPXEBCT-MRXNPFEDSA-N	1	0	370.478	1.938	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc2nc(C)cc(C)c2c1	ZINC000890300661	997171386	/nfs/dbraw/zinc/17/13/86/997171386.db2.gz	VKUZEELTLAQTOJ-UHFFFAOYSA-N	1	0	352.438	1.861	20	30		FDEDRO
N#CCOc1ccc(Cl)cc1Cn1cc(CN2CCC[C@@H]([NH3+])C2)nn1	ZINC000887442774	997275438	/nfs/dbraw/zinc/27/54/38/997275438.db2.gz	RZIGZUMVUIPDCX-OAHLLOKOSA-N	1	0	360.849	1.805	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1ccc(OCC(F)(F)F)cc1	ZINC000264077724	997397316	/nfs/dbraw/zinc/39/73/16/997397316.db2.gz	HTODVFKZJAXDGK-UHFFFAOYSA-N	1	0	374.407	1.754	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCCn2cnc3ccccc32)CC1	ZINC000264142346	997412818	/nfs/dbraw/zinc/41/28/18/997412818.db2.gz	WYKLDEGBEOXWOM-UHFFFAOYSA-N	1	0	372.473	1.952	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(OC)ccc2OC)CC1	ZINC000264324062	997462100	/nfs/dbraw/zinc/46/21/00/997462100.db2.gz	AGRLZBBEDFWYTJ-UHFFFAOYSA-N	1	0	361.442	1.799	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2ccccc2CN2CCOCC2)CC1	ZINC000264364869	997481414	/nfs/dbraw/zinc/48/14/14/997481414.db2.gz	FMQFFNYJXVOUNR-UHFFFAOYSA-N	1	0	372.513	1.968	20	30		FDEDRO
C[C@]1(C#N)CN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)CCO1	ZINC000887692352	997657290	/nfs/dbraw/zinc/65/72/90/997657290.db2.gz	LEJPPEVUJUBIEU-HLAWJBBLSA-N	1	0	369.465	1.666	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)CCNC(=O)C1N=CC=CC1=O)c1cccc(F)c1	ZINC000265054113	997685429	/nfs/dbraw/zinc/68/54/29/997685429.db2.gz	PCDGPBRXFNMWQJ-RAJOGRCSSA-N	1	0	374.416	1.461	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3C[C@H]4C[N@@H+](C)C[C@@]4(C)C3)cc2C1=O	ZINC000887937821	997965654	/nfs/dbraw/zinc/96/56/54/997965654.db2.gz	MCMDSXVPNSODEJ-VLIAUNLRSA-N	1	0	353.422	1.492	20	30		FDEDRO
COc1ccc(OC)c(NC(=[NH2+])NCCc2nnc3n2CCCCC3)c1	ZINC000104159103	998310104	/nfs/dbraw/zinc/31/01/04/998310104.db2.gz	CPLVPWWTEJVNFD-UHFFFAOYSA-N	1	0	358.446	1.991	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1ccccc1)N1CCOCC1	ZINC000104170250	998312076	/nfs/dbraw/zinc/31/20/76/998312076.db2.gz	PCKSBCCNHFODDC-MOPGFXCFSA-N	1	0	359.518	1.449	20	30		FDEDRO
Cc1c(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cnn1CCC#N	ZINC000889715418	998545153	/nfs/dbraw/zinc/54/51/53/998545153.db2.gz	RZJMJMZKWIJWAR-JWTNVVGKSA-N	1	0	370.501	1.488	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(CC#N)n1)Cc1ccccc1	ZINC000889766673	998622117	/nfs/dbraw/zinc/62/21/17/998622117.db2.gz	VUVUGYRLAVOSNI-QGZVFWFLSA-N	1	0	365.437	1.375	20	30		FDEDRO
C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)Nc2cccc(CC#N)n2)C1	ZINC000889799254	998668272	/nfs/dbraw/zinc/66/82/72/998668272.db2.gz	NRXPGTNAHQPIEC-OAHLLOKOSA-N	1	0	357.458	1.714	20	30		FDEDRO
C[N@H+](CCNC(=O)C(=O)Nc1cccc(CC#N)n1)Cc1ccccc1	ZINC000889866879	998713396	/nfs/dbraw/zinc/71/33/96/998713396.db2.gz	LDZNHMIZBJPRNO-UHFFFAOYSA-N	1	0	351.410	1.334	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2cc(C#N)ccc2F)cc1	ZINC000826667110	998751379	/nfs/dbraw/zinc/75/13/79/998751379.db2.gz	MIRUVQMZCHMJAV-UHFFFAOYSA-N	1	0	368.412	1.919	20	30		FDEDRO
Cc1ccc(C#N)c(NC[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)n1	ZINC001066686276	999012873	/nfs/dbraw/zinc/01/28/73/999012873.db2.gz	MLARYUOECMBTIV-HYVNUMGLSA-N	1	0	357.458	1.241	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC2CC2)cc1	ZINC001110884059	999112109	/nfs/dbraw/zinc/11/21/09/999112109.db2.gz	TWSGQDTZMMRHBY-QRVBRYPASA-N	1	0	351.450	1.529	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CCSC1	ZINC000267295022	999304589	/nfs/dbraw/zinc/30/45/89/999304589.db2.gz	JDZKBLYDLXDPJZ-IBGZPJMESA-N	1	0	374.510	1.980	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000267394426	999325806	/nfs/dbraw/zinc/32/58/06/999325806.db2.gz	REKPGEDKLGZNJU-MRXNPFEDSA-N	1	0	359.426	1.126	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCc3ccc(C(N)=O)cc3)=[NH+]C[C@@H]2C1	ZINC000268064812	999421821	/nfs/dbraw/zinc/42/18/21/999421821.db2.gz	GTHOCJQITDEUEA-OAHLLOKOSA-N	1	0	373.457	1.166	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(CC(=O)OC)c2)CC1	ZINC000268795365	999454040	/nfs/dbraw/zinc/45/40/40/999454040.db2.gz	NUSYHYRGKCVBFV-UHFFFAOYSA-N	1	0	373.453	1.497	20	30		FDEDRO
C[NH+](C)C[C@@](C)(O)CNC(=O)CCC(=O)N(CCC#N)c1ccccc1	ZINC000269882806	999480508	/nfs/dbraw/zinc/48/05/08/999480508.db2.gz	IWYFZFFOVQONMU-IBGZPJMESA-N	1	0	360.458	1.142	20	30		FDEDRO
C[NH+](C)C1CCN(CCNC(=O)NC2(c3cccc(C#N)c3)CC2)CC1	ZINC000270436389	999558352	/nfs/dbraw/zinc/55/83/52/999558352.db2.gz	XQFLKWQETMHIQM-UHFFFAOYSA-N	1	0	355.486	1.873	20	30		FDEDRO
Cn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1	ZINC000270788887	999614454	/nfs/dbraw/zinc/61/44/54/999614454.db2.gz	WKNTYZPYSKVSKL-UHFFFAOYSA-N	1	0	356.386	1.404	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)nn1CCC#N	ZINC000271002199	999647891	/nfs/dbraw/zinc/64/78/91/999647891.db2.gz	HKIUZUKYOMAXDM-HUUCEWRRSA-N	1	0	374.489	1.528	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)nn1CCC#N	ZINC000271094375	999660269	/nfs/dbraw/zinc/66/02/69/999660269.db2.gz	VWIOUPMVZDWOKS-ZIAGYGMSSA-N	1	0	360.462	1.280	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)CC1	ZINC000271686764	999725101	/nfs/dbraw/zinc/72/51/01/999725101.db2.gz	QMAXJDBZZGLPAF-APWZRJJASA-N	1	0	353.470	1.901	20	30		FDEDRO
C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000272025346	999726384	/nfs/dbraw/zinc/72/63/84/999726384.db2.gz	MDCTWBNSPIGISA-MVZUJROASA-N	1	0	370.453	1.540	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(F)c1	ZINC000283173030	999742676	/nfs/dbraw/zinc/74/26/76/999742676.db2.gz	FYHYQXAVQHAQSW-XJKSGUPXSA-N	1	0	361.392	1.827	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1	ZINC000283977812	999763568	/nfs/dbraw/zinc/76/35/68/999763568.db2.gz	LVUJMKQFTQCFFZ-OWCLPIDISA-N	1	0	372.469	1.351	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCCc2c[nH]nc21)C(C)C	ZINC000283993394	999765011	/nfs/dbraw/zinc/76/50/11/999765011.db2.gz	JPPSZQGCULIUOF-SJORKVTESA-N	1	0	373.501	1.718	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CCCOC1)C(C)C	ZINC000284030447	999774096	/nfs/dbraw/zinc/77/40/96/999774096.db2.gz	LNSYDFFCPHFUKO-ROUUACIJSA-N	1	0	365.518	1.686	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H](COC)C1)C(C)C	ZINC000284075719	999775968	/nfs/dbraw/zinc/77/59/68/999775968.db2.gz	ODMYYERMGMGKEV-MSOLQXFVSA-N	1	0	365.518	1.686	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(C)c(OC)c2)CC1	ZINC000284334730	999809627	/nfs/dbraw/zinc/80/96/27/999809627.db2.gz	ARPMYRDRUOZFBL-UHFFFAOYSA-N	1	0	359.470	1.777	20	30		FDEDRO
C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1	ZINC000284835496	999871432	/nfs/dbraw/zinc/87/14/32/999871432.db2.gz	PFKOJUGRWISTMX-LMCOJAPRSA-N	1	0	360.454	1.550	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)c1	ZINC000284866953	999875678	/nfs/dbraw/zinc/87/56/78/999875678.db2.gz	PPPGEBIHFYIEKI-WOJBJXKFSA-N	1	0	370.497	1.955	20	30		FDEDRO
N#Cc1ccc(OC2CC[NH+](CCCOC(=O)NC(N)=O)CC2)c(F)c1	ZINC000285445962	999912592	/nfs/dbraw/zinc/91/25/92/999912592.db2.gz	IMXKWWVYWRJYAM-UHFFFAOYSA-N	1	0	364.377	1.736	20	30		FDEDRO
N#Cc1ncn(CC[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)n1	ZINC000285648547	999917509	/nfs/dbraw/zinc/91/75/09/999917509.db2.gz	YFCQMLSILZDVFH-UHFFFAOYSA-N	1	0	351.370	1.101	20	30		FDEDRO
C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000285787266	999921246	/nfs/dbraw/zinc/92/12/46/999921246.db2.gz	FFKSTHJSIRBRTQ-NSISKUIASA-N	1	0	368.481	1.849	20	30		FDEDRO
CN(C)C(=O)CN1CCC([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1	ZINC000286028053	999932120	/nfs/dbraw/zinc/93/21/20/999932120.db2.gz	KBMOCCWFULIFCA-UHFFFAOYSA-N	1	0	369.513	1.669	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2cccc(OCC)c2)CC1	ZINC000286807015	999951146	/nfs/dbraw/zinc/95/11/46/999951146.db2.gz	VIUVZDFIXJFPBM-UHFFFAOYSA-N	1	0	359.470	1.511	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(Cc2ccccc2OC)C2CC2)CC1	ZINC000286859902	999952908	/nfs/dbraw/zinc/95/29/08/999952908.db2.gz	ZKSBIFTYHINVHE-UHFFFAOYSA-N	1	0	371.481	1.953	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1	ZINC000287304222	999956392	/nfs/dbraw/zinc/95/63/92/999956392.db2.gz	KPDIKRYWVPJUHQ-ROUUACIJSA-N	1	0	371.481	1.810	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1	ZINC000287395409	999957449	/nfs/dbraw/zinc/95/74/49/999957449.db2.gz	PGVVHBXESVTJMJ-UHFFFAOYSA-N	1	0	371.481	1.858	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000288043716	999985713	/nfs/dbraw/zinc/98/57/13/999985713.db2.gz	IYSCJPRNXKMGQJ-XYPWUTKMSA-N	1	0	370.453	1.979	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C	ZINC000288224541	999998330	/nfs/dbraw/zinc/99/83/30/999998330.db2.gz	REPVZKSVAQXUEF-PBHICJAKSA-N	1	0	373.428	1.861	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1	ZINC000288951798	1000062534	/nfs/dbraw/zinc/06/25/34/1000062534.db2.gz	OXZFWBAQJSXAPV-FUHWJXTLSA-N	1	0	355.482	1.985	20	30		FDEDRO
C=CCOc1ccc(/C=C/C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1OC	ZINC000289208060	1000081980	/nfs/dbraw/zinc/08/19/80/1000081980.db2.gz	KEFVARLEYMRFKQ-FZMUQLTDSA-N	1	0	371.481	1.779	20	30		FDEDRO
C=CCn1c(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)nnc1C(C)(C)C	ZINC000290425587	1000137214	/nfs/dbraw/zinc/13/72/14/1000137214.db2.gz	QHYGRHXSOQXFHG-OAHLLOKOSA-N	1	0	360.506	1.504	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H]2CC(=O)N(c3ccccc3F)C2)CC1	ZINC000291296233	1000180147	/nfs/dbraw/zinc/18/01/47/1000180147.db2.gz	RROPZPBGLONWOT-HNNXBMFYSA-N	1	0	360.433	1.881	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C(N)=O)[C@@H](C)c2ccccc2)CC1	ZINC000292262798	1000223998	/nfs/dbraw/zinc/22/39/98/1000223998.db2.gz	KWSUHILULFFFCF-YJBOKZPZSA-N	1	0	358.486	1.984	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCO[C@@H]1CCOC1	ZINC000927514481	1000880261	/nfs/dbraw/zinc/88/02/61/1000880261.db2.gz	JONIEWVDOMNPBZ-GOSISDBHSA-N	1	0	360.458	1.437	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CCC4(CC[NH2+]C4)CC3)cc21	ZINC000927800749	1001060009	/nfs/dbraw/zinc/06/00/09/1001060009.db2.gz	MGPMHGBEMABZMH-UHFFFAOYSA-N	1	0	367.453	1.763	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c1	ZINC000927843004	1001099995	/nfs/dbraw/zinc/09/99/95/1001099995.db2.gz	UQSWGCOMNDOIPG-QWHCGFSZSA-N	1	0	354.332	1.543	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CCC(=O)N(c3cccc(F)c3)C2)CC1	ZINC000928648085	1001606440	/nfs/dbraw/zinc/60/64/40/1001606440.db2.gz	FUCAYINCAPGAQA-HNNXBMFYSA-N	1	0	357.429	1.783	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)CC1	ZINC000928654539	1001611210	/nfs/dbraw/zinc/61/12/10/1001611210.db2.gz	GNAOINSVSROUIJ-PKOBYXMFSA-N	1	0	357.429	1.559	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)n[nH]2)CC1	ZINC000928655896	1001611828	/nfs/dbraw/zinc/61/18/28/1001611828.db2.gz	CFHQIFYWIUNUMR-UHFFFAOYSA-N	1	0	368.437	1.921	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccc(N3CCN(CC)CC3)c(F)c2)CC1	ZINC000928655611	1001611997	/nfs/dbraw/zinc/61/19/97/1001611997.db2.gz	UMAXKRWRPOKWTO-UHFFFAOYSA-N	1	0	372.488	1.795	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C[C@H](NC(C)=O)c2ccccc2OCC)CC1	ZINC000928657925	1001613236	/nfs/dbraw/zinc/61/32/36/1001613236.db2.gz	FHIQKGJHWXQWBA-IBGZPJMESA-N	1	0	371.481	1.866	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3cnc(C)n3C1)C2	ZINC001110949083	1001645890	/nfs/dbraw/zinc/64/58/90/1001645890.db2.gz	XNSRTIIYXWOYOK-ISARSNTHSA-N	1	0	358.486	1.678	20	30		FDEDRO
C[NH+](C)CCn1c2cc(C(=O)N[C@@H](CC#N)C(F)(F)F)ccc2[nH]c1=O	ZINC000928800650	1001672228	/nfs/dbraw/zinc/67/22/28/1001672228.db2.gz	NXMIFNYQEGUTJR-ZDUSSCGKSA-N	1	0	369.347	1.878	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@]2(C)CCCN(c3cnc(C#N)cn3)C2)CC[N@@H+]1C	ZINC001110963938	1001799913	/nfs/dbraw/zinc/79/99/13/1001799913.db2.gz	QQDAHAHQRXRUII-SQGPQFPESA-N	1	0	370.501	1.801	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCCN(c3cncc(C#N)n3)C2)CC[N@@H+]1C	ZINC001110963969	1001802812	/nfs/dbraw/zinc/80/28/12/1001802812.db2.gz	RQDYQVYGXMNZFT-IDHHARJASA-N	1	0	356.474	1.411	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)/C=C(/C)C3CC3)C[C@H]2C)CC1	ZINC000947763712	1001859553	/nfs/dbraw/zinc/85/95/53/1001859553.db2.gz	YCXQSFDECVZJBW-MWPJJREVSA-N	1	0	357.498	1.651	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC000948205242	1002175546	/nfs/dbraw/zinc/17/55/46/1002175546.db2.gz	LXNUQECEPYDXQU-XYPHTWIQSA-N	1	0	357.458	1.336	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[NH+]2CCN(Cc3cnn(C)c3)CC2)cc1	ZINC000929583370	1002228279	/nfs/dbraw/zinc/22/82/79/1002228279.db2.gz	PRALEBNKMBTTLE-UHFFFAOYSA-N	1	0	351.454	1.548	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1	ZINC000929584479	1002228593	/nfs/dbraw/zinc/22/85/93/1002228593.db2.gz	JNGAIDBQJYZJKJ-UHFFFAOYSA-N	1	0	370.497	1.703	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1	ZINC000948414644	1002316810	/nfs/dbraw/zinc/31/68/10/1002316810.db2.gz	YZBCYUOLWYCKPI-IEZWGBDMSA-N	1	0	363.502	1.417	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC000948421695	1002322249	/nfs/dbraw/zinc/32/22/49/1002322249.db2.gz	JCDGGPICGMYFKF-OLMNPRSZSA-N	1	0	371.485	1.583	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cc1	ZINC000929858737	1002522645	/nfs/dbraw/zinc/52/26/45/1002522645.db2.gz	FIVVIELZIYXHRB-ZWKOTPCHSA-N	1	0	372.469	1.665	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C2	ZINC001110977827	1002641759	/nfs/dbraw/zinc/64/17/59/1002641759.db2.gz	ASTUKOBTLVTRHO-BDXSIMOUSA-N	1	0	359.474	1.145	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](Cc3nccs3)C2)CC1	ZINC000930007793	1002730780	/nfs/dbraw/zinc/73/07/80/1002730780.db2.gz	YHQNWFNXHARIDS-AWEZNQCLSA-N	1	0	362.499	1.301	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](c2ccccn2)C2CC2)CC1	ZINC000930010827	1002734010	/nfs/dbraw/zinc/73/40/10/1002734010.db2.gz	UUOWBYSBRKORTG-SFHVURJKSA-N	1	0	356.470	1.806	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2ccc3c(c2)CCO3)CC1	ZINC000930010542	1002734069	/nfs/dbraw/zinc/73/40/69/1002734069.db2.gz	QLJOBXFTBAVSPR-OAHLLOKOSA-N	1	0	371.481	1.955	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC2(OC)CCCCCC2)CC1	ZINC000930010921	1002734325	/nfs/dbraw/zinc/73/43/25/1002734325.db2.gz	WYXMEAAKWPHPND-UHFFFAOYSA-N	1	0	365.518	1.999	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000930138404	1002865076	/nfs/dbraw/zinc/86/50/76/1002865076.db2.gz	ZDLSCFIJXLJXKC-INIZCTEOSA-N	1	0	357.458	1.945	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1	ZINC000966001467	1016689693	/nfs/dbraw/zinc/68/96/93/1016689693.db2.gz	XHPRWQKLPKVKCI-QZWWFDLISA-N	1	0	351.491	1.415	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000949000514	1002917306	/nfs/dbraw/zinc/91/73/06/1002917306.db2.gz	FDBOVDKGPVOFCD-BZSNNMDCSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(CNC(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000949004642	1002921120	/nfs/dbraw/zinc/92/11/20/1002921120.db2.gz	JBNXDNOCFLWJLY-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)c1ccc(C#N)cc1	ZINC000930203770	1002924363	/nfs/dbraw/zinc/92/43/63/1002924363.db2.gz	YHWFYBHZPOEKGL-GFCCVEGCSA-N	1	0	370.375	1.688	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1C#N	ZINC000930213613	1002934686	/nfs/dbraw/zinc/93/46/86/1002934686.db2.gz	OKGGJYYEZBUOSN-QGZVFWFLSA-N	1	0	358.486	1.966	20	30		FDEDRO
COC(=O)CC1([NH2+]CCCCC2(C#N)CCC2)CCS(=O)(=O)CC1	ZINC000930249595	1002968445	/nfs/dbraw/zinc/96/84/45/1002968445.db2.gz	XZHIUXYWBGLPMY-UHFFFAOYSA-N	1	0	356.488	1.951	20	30		FDEDRO
C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1ccncc1)CCO2	ZINC000949098991	1002988568	/nfs/dbraw/zinc/98/85/68/1002988568.db2.gz	QDVUVBVCQWFDRE-RBUKOAKNSA-N	1	0	353.466	1.902	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H](c1cccnc1)C1CC1)C1CC[NH+](C)CC1	ZINC000930278507	1002990598	/nfs/dbraw/zinc/99/05/98/1002990598.db2.gz	GMLXENYPAPKFJI-GOSISDBHSA-N	1	0	354.454	1.205	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1	ZINC000949134056	1003024533	/nfs/dbraw/zinc/02/45/33/1003024533.db2.gz	VZSNUASFMNKSLE-SQNIBIBYSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@@H](O)C1	ZINC000966062412	1016719819	/nfs/dbraw/zinc/71/98/19/1016719819.db2.gz	KNDKPLHWFLUTSH-PMPSAXMXSA-N	1	0	351.491	1.151	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C	ZINC000949519062	1003429621	/nfs/dbraw/zinc/42/96/21/1003429621.db2.gz	AUZXAPPFULYZAZ-QBPKDAKJSA-N	1	0	358.486	1.591	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCNC(=O)CC(C)C)C2	ZINC001111509962	1003693543	/nfs/dbraw/zinc/69/35/43/1003693543.db2.gz	BGYFAYSBDYGUCY-ZACQAIPSSA-N	1	0	351.491	1.463	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC000949858811	1003755127	/nfs/dbraw/zinc/75/51/27/1003755127.db2.gz	VDLAFIDNYUYVPA-RHSMWYFYSA-N	1	0	357.458	1.339	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3cc(C)[nH]c3C)C2)CC1	ZINC000949864773	1003758852	/nfs/dbraw/zinc/75/88/52/1003758852.db2.gz	ICUPHKOJMIRPFE-AUUYWEPGSA-N	1	0	370.497	1.553	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2	ZINC001111297665	1003775835	/nfs/dbraw/zinc/77/58/35/1003775835.db2.gz	OELOBCXTWGYABN-VQHPVUNQSA-N	1	0	350.507	1.131	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@@H](CCCC)C(N)=O)c1	ZINC001111001975	1003791668	/nfs/dbraw/zinc/79/16/68/1003791668.db2.gz	PRFLIUGCWRWWNX-BDXSIMOUSA-N	1	0	354.454	1.442	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1	ZINC000931080300	1003856035	/nfs/dbraw/zinc/85/60/35/1003856035.db2.gz	BNCQYUALSOFJPV-XJKCOSOUSA-N	1	0	362.455	1.540	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCC2(Nc3ccc(C#N)cn3)CCOCC2)CC[N@@H+]1C	ZINC001111004862	1003920323	/nfs/dbraw/zinc/92/03/23/1003920323.db2.gz	NWTFELNXISQLLX-DLBZAZTESA-N	1	0	371.485	1.761	20	30		FDEDRO
C#CC1(O)CC[NH+]([C@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)CC1	ZINC000931144471	1003922319	/nfs/dbraw/zinc/92/23/19/1003922319.db2.gz	YTEBONOQHCGTQP-OAHLLOKOSA-N	1	0	360.454	1.211	20	30		FDEDRO
C#CC1(O)CC[NH+](C[C@]2(O)CCCN(C(=O)OCc3ccccc3)C2)CC1	ZINC000931153425	1003927658	/nfs/dbraw/zinc/92/76/58/1003927658.db2.gz	GOKMBCZTCSDIHM-OAQYLSRUSA-N	1	0	372.465	1.610	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)o2)CC1	ZINC000931206979	1003960709	/nfs/dbraw/zinc/96/07/09/1003960709.db2.gz	BBFUYJKNAMYKHL-UHFFFAOYSA-N	1	0	357.454	1.867	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC([N@@H+]2CCCOCC2)CC1	ZINC000931292366	1004031889	/nfs/dbraw/zinc/03/18/89/1004031889.db2.gz	KLAIIGFCEQXNDW-VQIMIIECSA-N	1	0	350.507	1.616	20	30		FDEDRO
Cc1oc(NC(=O)CN2CCN(CCc3ccncc3)CC2)c(C#N)c1C	ZINC000931345995	1004074422	/nfs/dbraw/zinc/07/44/22/1004074422.db2.gz	CUXXURDLMHJWQG-UHFFFAOYSA-N	1	0	367.453	1.962	20	30		FDEDRO
Cn1cc(C2=NC[C@@H](CN3CCN(c4ccc(F)cc4C#N)CC3)O2)cn1	ZINC000931547611	1004254136	/nfs/dbraw/zinc/25/41/36/1004254136.db2.gz	CCTFWWNSQRLKGF-KRWDZBQOSA-N	1	0	368.416	1.398	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c1	ZINC000931591367	1004295553	/nfs/dbraw/zinc/29/55/53/1004295553.db2.gz	BVTKHKAXJUJJJZ-KRWDZBQOSA-N	1	0	372.444	1.790	20	30		FDEDRO
CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCc1cc(C#N)ccc1F	ZINC000931594204	1004297702	/nfs/dbraw/zinc/29/77/02/1004297702.db2.gz	IWTUIHKNWPGZEA-MRXNPFEDSA-N	1	0	360.433	1.646	20	30		FDEDRO
C[NH+](C)CCCC1CCN(C(=O)C(=O)NCc2cc(C#N)ccc2F)CC1	ZINC000931595025	1004299017	/nfs/dbraw/zinc/29/90/17/1004299017.db2.gz	COOOWLPFEGGHKK-UHFFFAOYSA-N	1	0	374.460	1.894	20	30		FDEDRO
COc1ccccc1C[C@](C)(CO)[NH2+]C[C@@H](O)COc1ccccc1C#N	ZINC000931601015	1004304420	/nfs/dbraw/zinc/30/44/20/1004304420.db2.gz	KPNKDSSYYDCAPM-WIYYLYMNSA-N	1	0	370.449	1.890	20	30		FDEDRO
COC(=O)C1CC2(C1)C[N@H+](C[C@H](O)CC#N)C[C@@H]2C(=O)OC(C)(C)C	ZINC000931753120	1004472689	/nfs/dbraw/zinc/47/26/89/1004472689.db2.gz	JNBRLNQYWKTNPA-OOWFEOPPSA-N	1	0	352.431	1.104	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH+]1CCC2(CC1)CNC(=O)c1ccccc1O2	ZINC000932052476	1004738422	/nfs/dbraw/zinc/73/84/22/1004738422.db2.gz	XYATUZJMAQEEHX-UHFFFAOYSA-N	1	0	370.453	1.406	20	30		FDEDRO
COc1ccc(N2CC[NH+](C[C@@H](O)CN3CCC[C@H](C#N)C3)CC2)cc1	ZINC000932153675	1004797536	/nfs/dbraw/zinc/79/75/36/1004797536.db2.gz	QKXVRIGFPUSELX-IEBWSBKVSA-N	1	0	358.486	1.414	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2cnc(N3C[C@H]4CC[C@@H](C3)O4)nc2)CC1	ZINC000932417329	1004948675	/nfs/dbraw/zinc/94/86/75/1004948675.db2.gz	OVJVZQPDHIRGIK-CALCHBBNSA-N	1	0	370.457	1.063	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)cc1C#N	ZINC000932475957	1004978741	/nfs/dbraw/zinc/97/87/41/1004978741.db2.gz	UEKQAFNIYLNOJA-UHFFFAOYSA-N	1	0	372.469	1.052	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1C#N	ZINC000932476924	1004979282	/nfs/dbraw/zinc/97/92/82/1004979282.db2.gz	OOYGMFWPNCWLGN-LJQANCHMSA-N	1	0	368.481	1.960	20	30		FDEDRO
CCC1([NH+](C)C)CCN(C(=O)C(=O)NCc2ccc(C)c(C#N)c2)CC1	ZINC000932477538	1004979833	/nfs/dbraw/zinc/97/98/33/1004979833.db2.gz	DXBXZABXMBFYOD-UHFFFAOYSA-N	1	0	356.470	1.816	20	30		FDEDRO
COc1ncc(NC(=O)N(CC[NH+](C)C)Cc2ccccn2)cc1C#N	ZINC000932509876	1004993110	/nfs/dbraw/zinc/99/31/10/1004993110.db2.gz	OXAZVUJTRLQOQX-UHFFFAOYSA-N	1	0	354.414	1.953	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CCC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1	ZINC000932602545	1005033430	/nfs/dbraw/zinc/03/34/30/1005033430.db2.gz	ZAAYHCDQXDKWGZ-IBGZPJMESA-N	1	0	370.497	1.758	20	30		FDEDRO
CCN(CC)C(=O)CN1CCCN(C(=O)c2ccc(C#N)cc2OC)CC1	ZINC000932693026	1005101980	/nfs/dbraw/zinc/10/19/80/1005101980.db2.gz	NALIZWYDTBUNCV-UHFFFAOYSA-N	1	0	372.469	1.583	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@H](CC#N)C(F)(F)F	ZINC000932915812	1005242932	/nfs/dbraw/zinc/24/29/32/1005242932.db2.gz	HIYKOZLDHOVYAI-VXGBXAGGSA-N	1	0	363.384	1.073	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@@H](C[NH3+])[C@H](OCC)C1	ZINC000652357252	1016963773	/nfs/dbraw/zinc/96/37/73/1016963773.db2.gz	FLCAXNAWIGGVDH-ZMSDIMECSA-N	1	0	351.516	1.947	20	30		FDEDRO
COc1ccc(C[C@@](C)(CO)[NH2+]C[C@H](O)COc2ccccc2C#N)cc1	ZINC000933427211	1005555852	/nfs/dbraw/zinc/55/58/52/1005555852.db2.gz	DIZMPTSMFHFQNU-RXVVDRJESA-N	1	0	370.449	1.890	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH+]2CCC(N3CCCOC3=O)CC2)CCOCC1	ZINC000933615408	1005589473	/nfs/dbraw/zinc/58/94/73/1005589473.db2.gz	MQLLXIDIBKMPLJ-INIZCTEOSA-N	1	0	351.447	1.364	20	30		FDEDRO
Cn1cc(CN2CCN(C)CC[N@H+](C)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000933991467	1005673579	/nfs/dbraw/zinc/67/35/79/1005673579.db2.gz	BCDHDSIAWNKVAL-UHFFFAOYSA-N	1	0	352.486	1.638	20	30		FDEDRO
Cc1ccc(N(CCC#N)C(=O)CN2CCN(C)CC[N@@H+](C)CC2)cc1C	ZINC000933996015	1005675785	/nfs/dbraw/zinc/67/57/85/1005675785.db2.gz	JCYAHCDHQQCRNW-UHFFFAOYSA-N	1	0	371.529	1.729	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c(=O)[nH]c3ccccc31)C2	ZINC001111064987	1005684318	/nfs/dbraw/zinc/68/43/18/1005684318.db2.gz	KTMMNMRFNYHACO-KYJSFNMBSA-N	1	0	370.453	1.666	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H]2c3ccccc3OC[C@H]2CO)cc1	ZINC000934219738	1005712855	/nfs/dbraw/zinc/71/28/55/1005712855.db2.gz	LYVHPJWLMBDDTH-GQIGUUNPSA-N	1	0	354.406	1.630	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(CN=[S@@](C)(=O)N(C)C)CC1	ZINC000934750149	1005791561	/nfs/dbraw/zinc/79/15/61/1005791561.db2.gz	MBTDVLQIYRGTKY-LFPIHBKWSA-N	1	0	357.524	1.033	20	30		FDEDRO
COc1cc(C#N)ccc1C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1	ZINC000935089547	1005846809	/nfs/dbraw/zinc/84/68/09/1005846809.db2.gz	FJELCUUIDVXONQ-JWTNVVGKSA-N	1	0	368.481	1.950	20	30		FDEDRO
N#CC1(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CCSCC1	ZINC000935317058	1005889777	/nfs/dbraw/zinc/88/97/77/1005889777.db2.gz	IVNZXMHFQLASGJ-KRWDZBQOSA-N	1	0	359.495	1.906	20	30		FDEDRO
N#CC1(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CCSCC1	ZINC000935317059	1005889967	/nfs/dbraw/zinc/88/99/67/1005889967.db2.gz	IVNZXMHFQLASGJ-QGZVFWFLSA-N	1	0	359.495	1.906	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc(C3CC3)[nH]c1=O)C2	ZINC001111110593	1006117989	/nfs/dbraw/zinc/11/79/89/1006117989.db2.gz	FMUODPGGBMTRMN-BMFZPTHFSA-N	1	0	358.442	1.597	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1)C2	ZINC001111129338	1006334366	/nfs/dbraw/zinc/33/43/66/1006334366.db2.gz	LUGGQWDHQAZFKT-IEWDOMPSSA-N	1	0	358.486	1.976	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)NCCCC[NH+]2CCN(CC)CC2)c1	ZINC000041789615	1006476556	/nfs/dbraw/zinc/47/65/56/1006476556.db2.gz	SAUUYOCBEVALBC-UHFFFAOYSA-N	1	0	356.470	1.140	20	30		FDEDRO
CC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cc(C#N)ccc1F	ZINC001111156395	1006510517	/nfs/dbraw/zinc/51/05/17/1006510517.db2.gz	ZBBPTRNTQGGGAC-NXHRZFHOSA-N	1	0	372.444	1.834	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000954381463	1006652556	/nfs/dbraw/zinc/65/25/56/1006652556.db2.gz	BMXHCHMMFSQVOJ-BGTYHANMSA-N	1	0	363.502	1.367	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3nccnc31)C2	ZINC001111179632	1006657033	/nfs/dbraw/zinc/65/70/33/1006657033.db2.gz	PUBOSYVGBMRSLA-XYPHTWIQSA-N	1	0	365.437	1.267	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1	ZINC000954402632	1006715405	/nfs/dbraw/zinc/71/54/05/1006715405.db2.gz	TXVQVFVQYHQEQC-IXDOHACOSA-N	1	0	351.491	1.223	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c(C)cc(C)nc1=O)C2	ZINC001111186947	1006738602	/nfs/dbraw/zinc/73/86/02/1006738602.db2.gz	AMUJPWYFJIPYFD-DDBAPUKQSA-N	1	0	358.486	1.936	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1cccnc1)C(C)C)C2	ZINC001111187112	1006743367	/nfs/dbraw/zinc/74/33/67/1006743367.db2.gz	JNFRVWCULUFEML-FTEYMNFISA-N	1	0	370.497	1.845	20	30		FDEDRO
C=C[C@@H](C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1ccccc1	ZINC000954410902	1006743956	/nfs/dbraw/zinc/74/39/56/1006743956.db2.gz	MUPLBEWNIBTOSK-ATZDWAIDSA-N	1	0	355.482	1.966	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2CC)C1	ZINC000954502816	1006823926	/nfs/dbraw/zinc/82/39/26/1006823926.db2.gz	QQMZJJWMBFNOQB-KSZLIROESA-N	1	0	363.502	1.511	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO[C@@H]1CCOC1	ZINC001111487325	1006974801	/nfs/dbraw/zinc/97/48/01/1006974801.db2.gz	JNJZHWIGUCLEIH-TVFCKZIOSA-N	1	0	352.475	1.496	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)cc1	ZINC000641664193	1007082293	/nfs/dbraw/zinc/08/22/93/1007082293.db2.gz	AEZLPEDMFXLSET-IBGZPJMESA-N	1	0	373.497	1.778	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCS(=O)(=O)C2)c(OC)c1	ZINC000641966812	1007246708	/nfs/dbraw/zinc/24/67/08/1007246708.db2.gz	RRYBGFINQAUGBI-HZPDHXFCSA-N	1	0	369.483	1.188	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@]3(C)C[C@H]4C[C@H]4C3)C[C@H]2C)CC1	ZINC000956966115	1007415546	/nfs/dbraw/zinc/41/55/46/1007415546.db2.gz	IXENBDMPRSDLJJ-DRASZATQSA-N	1	0	371.525	1.731	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C	ZINC000957064823	1007640103	/nfs/dbraw/zinc/64/01/03/1007640103.db2.gz	MBCQEDLRTJFHJA-MBOZVWFJSA-N	1	0	367.493	1.515	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CCN(C(=O)[C@]34C[C@H]3CCC4)C2)CC1	ZINC000957070052	1007645907	/nfs/dbraw/zinc/64/59/07/1007645907.db2.gz	LTJFOEPJAMNBQD-JRGCBEDISA-N	1	0	357.498	1.629	20	30		FDEDRO
C[C@]12C[NH+](CC#Cc3ccc(OC(F)(F)F)cc3)C[C@]1(C)C(=O)NC2=O	ZINC000639948519	1007654078	/nfs/dbraw/zinc/65/40/78/1007654078.db2.gz	IFZVJYLWVOPAIW-IAGOWNOFSA-N	1	0	366.339	1.921	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2C)cc1	ZINC000957075747	1007663830	/nfs/dbraw/zinc/66/38/30/1007663830.db2.gz	ZONWIRKKFMAASC-HHXXYDBFSA-N	1	0	353.466	1.586	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N[C@@H]1CCCN(c2ncccn2)C1	ZINC000246931847	1007700778	/nfs/dbraw/zinc/70/07/78/1007700778.db2.gz	SAYFKSQQRMRADB-YYIAUSFCSA-N	1	0	370.501	1.568	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cc1	ZINC000947677021	1007810550	/nfs/dbraw/zinc/81/05/50/1007810550.db2.gz	DWPAXHODNGUCEM-DNVCBOLYSA-N	1	0	353.466	1.729	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1	ZINC000956064334	1007834527	/nfs/dbraw/zinc/83/45/27/1007834527.db2.gz	MYMUUJDJAZUESB-KSZLIROESA-N	1	0	363.502	1.559	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC(C)(NC(=O)c3c[nH]c(C#N)c3)CC2)CC[N@@H+]1C	ZINC000956344815	1008039632	/nfs/dbraw/zinc/03/96/32/1008039632.db2.gz	AKHANJCXTWYYLN-DLBZAZTESA-N	1	0	371.485	1.728	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCC(C)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c1	ZINC000956387452	1008098004	/nfs/dbraw/zinc/09/80/04/1008098004.db2.gz	VBZPBVNKWOKODC-CRAIPNDOSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1	ZINC000643477294	1008101564	/nfs/dbraw/zinc/10/15/64/1008101564.db2.gz	TVVUJGGSVSSPPV-YPMHNXCESA-N	1	0	371.890	1.491	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C2	ZINC001111302289	1008669182	/nfs/dbraw/zinc/66/91/82/1008669182.db2.gz	VKTKROLBERSZKQ-BDXSIMOUSA-N	1	0	351.491	1.461	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000779369077	1008893021	/nfs/dbraw/zinc/89/30/21/1008893021.db2.gz	HURCPWHPERPILH-FPOVZHCZSA-N	1	0	355.482	1.179	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1	ZINC000950431693	1009166412	/nfs/dbraw/zinc/16/64/12/1009166412.db2.gz	HUHIFACNDYIVKT-PIKOESSRSA-N	1	0	369.509	1.651	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1CC(C)C	ZINC001114854666	1009264808	/nfs/dbraw/zinc/26/48/08/1009264808.db2.gz	QJRQNNLQRPRGLF-KLBVCGFUSA-N	1	0	359.514	1.916	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occ3c1CCCC3)C2	ZINC001111319710	1009571300	/nfs/dbraw/zinc/57/13/00/1009571300.db2.gz	BMQKGFOPBBREBD-NZPGVSJUSA-N	1	0	369.465	1.631	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH+]1CCC(Nc2ncc(F)cn2)CC1	ZINC001111321149	1009578283	/nfs/dbraw/zinc/57/82/83/1009578283.db2.gz	AMFVCAGVCCSUQX-CVEARBPZSA-N	1	0	363.437	1.199	20	30		FDEDRO
[NH2+]=C(NCCc1nnc2ccccn21)N1CCN(c2ccc(F)cc2)CC1	ZINC000303791924	1009585141	/nfs/dbraw/zinc/58/51/41/1009585141.db2.gz	XZAXZWDGLNOMQM-UHFFFAOYSA-N	1	0	367.432	1.548	20	30		FDEDRO
CC[C@@H]1CCO[C@@H]1C(=O)NCC[NH+]1CCC(Nc2ccncc2C#N)CC1	ZINC001111323498	1009611418	/nfs/dbraw/zinc/61/14/18/1009611418.db2.gz	FURGPSCKIBJGGF-BEFAXECRSA-N	1	0	371.485	1.183	20	30		FDEDRO
Cc1ccc([C@@H](O)CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)cc1	ZINC000303872507	1009646261	/nfs/dbraw/zinc/64/62/61/1009646261.db2.gz	GJSUGVDJJGQQRK-INIZCTEOSA-N	1	0	362.474	1.896	20	30		FDEDRO
Cc1nn(C)c(C)c1CCNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1	ZINC000303879099	1009647670	/nfs/dbraw/zinc/64/76/70/1009647670.db2.gz	JNOJEVSLIIQBPJ-UHFFFAOYSA-N	1	0	358.465	1.855	20	30		FDEDRO
Cc1ccc(NC(=[NH2+])NCc2ccc(C(=O)NCC(N)=O)cc2)cc1C	ZINC000303880001	1009647781	/nfs/dbraw/zinc/64/77/81/1009647781.db2.gz	GWIDIYVOQIMFAP-UHFFFAOYSA-N	1	0	353.426	1.445	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H](O)[C@H](O)c2nc3ccccc3s2)CC1	ZINC000779519287	1009674832	/nfs/dbraw/zinc/67/48/32/1009674832.db2.gz	JTHVKQXXQXVWKD-IRXDYDNUSA-N	1	0	373.478	1.295	20	30		FDEDRO
Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCCN1CC[NH+](C)CC1	ZINC000097028076	1009798965	/nfs/dbraw/zinc/79/89/65/1009798965.db2.gz	FMNMKHJHEKZGCG-UHFFFAOYSA-N	1	0	355.442	1.618	20	30		FDEDRO
C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	ZINC000960279043	1009906140	/nfs/dbraw/zinc/90/61/40/1009906140.db2.gz	QHNKKPUVIHTJCP-FPCVCCKLSA-N	1	0	370.371	1.891	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)[C@H]2C1	ZINC000960383411	1010081522	/nfs/dbraw/zinc/08/15/22/1010081522.db2.gz	GRXARFSKSRFJQE-IXDOHACOSA-N	1	0	363.502	1.510	20	30		FDEDRO
N#Cc1cncc(NC2CC[NH+](CCNC(=O)C[C@@H]3C[C@H]3C3CC3)CC2)n1	ZINC001111339357	1010157580	/nfs/dbraw/zinc/15/75/80/1010157580.db2.gz	HBKBVQPZJSDDSE-YJBOKZPZSA-N	1	0	368.485	1.777	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CC[NH2+]C4(CCC4)C3)cc2C1=O	ZINC000648181837	1010295439	/nfs/dbraw/zinc/29/54/39/1010295439.db2.gz	RXGPEWVVHSVTJL-AWEZNQCLSA-N	1	0	353.422	1.873	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2	ZINC000951193520	1010558075	/nfs/dbraw/zinc/55/80/75/1010558075.db2.gz	BDHKHDZKIIPICG-ULQDDVLXSA-N	1	0	361.486	1.313	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C	ZINC000951250104	1010645671	/nfs/dbraw/zinc/64/56/71/1010645671.db2.gz	RGKPVEVDXXTWIQ-CPUCHLNUSA-N	1	0	358.442	1.069	20	30		FDEDRO
CCOC1CC(CNC(=[NH2+])NCCc2ccccc2)(N2CCOCC2)C1	ZINC000193827125	1011067795	/nfs/dbraw/zinc/06/77/95/1011067795.db2.gz	XKCHVTVKOMQUCN-UHFFFAOYSA-N	1	0	360.502	1.403	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1	ZINC000952065362	1011199434	/nfs/dbraw/zinc/19/94/34/1011199434.db2.gz	YSVBBYGHNMIBGG-ZACQAIPSSA-N	1	0	361.486	1.313	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCO[C@@H]3CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]32)cc1	ZINC000960721072	1011250990	/nfs/dbraw/zinc/25/09/90/1011250990.db2.gz	HOUACZNTIYCUQX-GBESFXJTSA-N	1	0	369.465	1.060	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C12CCC[NH+](CCC1)C2	ZINC000952179483	1011397951	/nfs/dbraw/zinc/39/79/51/1011397951.db2.gz	ZWLVUMFMLIXFLD-BBWFWOEESA-N	1	0	361.486	1.171	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(CC2CC2)C2CCN(C(=O)C#CC3CC3)CC2)CC[N@@H+]1C	ZINC000952618105	1011878412	/nfs/dbraw/zinc/87/84/12/1011878412.db2.gz	HMTAPEBUWLDLKY-OXQOHEQNSA-N	1	0	371.525	1.970	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC000963159246	1011940065	/nfs/dbraw/zinc/94/00/65/1011940065.db2.gz	XGWWIBMJCWZJGA-BNEJOLLZSA-N	1	0	369.469	1.432	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)c(=O)[nH]c1=O)C2	ZINC001111406044	1012178153	/nfs/dbraw/zinc/17/81/53/1012178153.db2.gz	QDIRARSFNDSRSM-BMFZPTHFSA-N	1	0	362.474	1.791	20	30		FDEDRO
C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCO[C@H]2c2nccn2C)CC1	ZINC000963470789	1012314947	/nfs/dbraw/zinc/31/49/47/1012314947.db2.gz	HSDIAGDIPGZUGR-OPQOLIRYSA-N	1	0	358.486	1.880	20	30		FDEDRO
C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC2)C1	ZINC000961410827	1012347615	/nfs/dbraw/zinc/34/76/15/1012347615.db2.gz	JMWUTCJARKFTDA-OKZBNKHCSA-N	1	0	363.502	1.546	20	30		FDEDRO
CCc1nc(C#N)cc(N2CCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1	ZINC001066797794	1012442748	/nfs/dbraw/zinc/44/27/48/1012442748.db2.gz	LCLSJDLIHBZAIY-HLLBOEOZSA-N	1	0	370.501	1.726	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1ncccn1)C2	ZINC000963815096	1012729707	/nfs/dbraw/zinc/72/97/07/1012729707.db2.gz	CJQDWSYITJSZRJ-MIKZSQDASA-N	1	0	356.470	1.975	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2	ZINC000636114223	1012740020	/nfs/dbraw/zinc/74/00/20/1012740020.db2.gz	XZIYSXXRHGVJFH-DYXWJJEUSA-N	1	0	356.466	1.416	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc4c(c3)COC4)C[C@H]21	ZINC000961828977	1012900114	/nfs/dbraw/zinc/90/01/14/1012900114.db2.gz	YXYOZZJYHZQPGD-SLHNCBLASA-N	1	0	354.450	1.854	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(C)C(=O)c3c[nH]c(C#N)c3)CC2)CC[N@@H+]1C	ZINC000967519358	1017583114	/nfs/dbraw/zinc/58/31/14/1017583114.db2.gz	JQSZLFOKYLPGGF-ZTFGCOKTSA-N	1	0	371.485	1.680	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H]([NH2+]C3CCC4(CC3)OCCO4)C2=O)cc1	ZINC000190602235	178013129	/nfs/dbraw/zinc/01/31/29/178013129.db2.gz	WRUMBRUUKCHHKD-GOSISDBHSA-N	1	0	355.438	1.934	20	30		FDEDRO
C[C@H]1C[N@H+](CC(C)(C)O)CCN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000192803613	178133235	/nfs/dbraw/zinc/13/32/35/178133235.db2.gz	RIAGRABMCKFUGZ-QFBILLFUSA-N	1	0	370.497	1.831	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cc(C#N)cn3C(C)(C)C)CC[C@@H]21	ZINC000193171407	178150409	/nfs/dbraw/zinc/15/04/09/178150409.db2.gz	YZMDEYYWNAXITR-CVEARBPZSA-N	1	0	371.485	1.996	20	30		FDEDRO
CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000193358876	178158841	/nfs/dbraw/zinc/15/88/41/178158841.db2.gz	AGKAOJMXVXYIEY-CQSZACIVSA-N	1	0	359.474	1.853	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)N2CCCC[C@@H]2C[NH3+])c1	ZINC000237968302	178341119	/nfs/dbraw/zinc/34/11/19/178341119.db2.gz	PWAWCOHYXMZZIL-GFCCVEGCSA-N	1	0	358.261	1.823	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCC2)c1	ZINC000511164745	538958502	/nfs/dbraw/zinc/95/85/02/538958502.db2.gz	KDWDDJKUHOZRPZ-HNNXBMFYSA-N	1	0	365.499	1.755	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@@](C)(CCO)COC)c(OC)c1	ZINC000267964544	674043932	/nfs/dbraw/zinc/04/39/32/674043932.db2.gz	UKBDIKJVQIMQIS-APWZRJJASA-N	1	0	353.459	1.541	20	30		FDEDRO
CN1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)[C@@H](C[NH3+])C1	ZINC000518343963	539410222	/nfs/dbraw/zinc/41/02/22/539410222.db2.gz	UYTZYRUGJMXIHJ-ADKAHSJRSA-N	1	0	371.485	1.533	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N[C@@H](CO)C[NH+]2CCCCC2)c(OC)c1	ZINC000519477329	539487218	/nfs/dbraw/zinc/48/72/18/539487218.db2.gz	QTNCLAIQSIEPOK-QGZVFWFLSA-N	1	0	362.470	1.766	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)COc2ccc(C#N)cc2)CC1	ZINC000264359277	179087961	/nfs/dbraw/zinc/08/79/61/179087961.db2.gz	AQIIBHWZWJBNQN-SFHVURJKSA-N	1	0	356.470	1.566	20	30		FDEDRO
C[NH+]1CCN(c2ccnc(-c3noc(Cc4ccc(C#N)nc4)n3)c2)CC1	ZINC000528142504	539734137	/nfs/dbraw/zinc/73/41/37/539734137.db2.gz	OUVOFJRAGWUYTF-UHFFFAOYSA-N	1	0	361.409	1.741	20	30		FDEDRO
C[C@H]1C[C@@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)C[N@@H+]1Cc1ccccc1	ZINC000268125931	180003702	/nfs/dbraw/zinc/00/37/02/180003702.db2.gz	GWXTVYIKDWPZFA-DZGCQCFKSA-N	1	0	353.426	1.031	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000268203965	180024814	/nfs/dbraw/zinc/02/48/14/180024814.db2.gz	YBKRKGUNTKXXFB-PBHICJAKSA-N	1	0	354.458	1.268	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCC[C@@H]1CN1CCOCC1	ZINC000528388836	539754820	/nfs/dbraw/zinc/75/48/20/539754820.db2.gz	IWTCUEUUNAWUSZ-QGZVFWFLSA-N	1	0	367.449	1.083	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCC[C@H]1CN1CCOCC1	ZINC000528388834	539754892	/nfs/dbraw/zinc/75/48/92/539754892.db2.gz	IWTCUEUUNAWUSZ-KRWDZBQOSA-N	1	0	367.449	1.083	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCCC[C@H]1N1CCOCC1	ZINC000528469625	539759748	/nfs/dbraw/zinc/75/97/48/539759748.db2.gz	ASEGIYUKWIJGBF-CEXWTWQISA-N	1	0	359.470	1.531	20	30		FDEDRO
C[C@@H]1COCCN1C1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1	ZINC000528511884	539764638	/nfs/dbraw/zinc/76/46/38/539764638.db2.gz	WQKGKFPDBVMHEV-VQIMIIECSA-N	1	0	359.470	1.483	20	30		FDEDRO
CC1(C)C(=O)N[C@@H]1C1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1	ZINC000528514031	539765184	/nfs/dbraw/zinc/76/51/84/539765184.db2.gz	IXNYYPMCOJYUSZ-FUHWJXTLSA-N	1	0	357.454	1.535	20	30		FDEDRO
CC(C)[N@H+](C)CCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000268782558	180159196	/nfs/dbraw/zinc/15/91/96/180159196.db2.gz	UOBAXNZCLNXCAQ-AWEZNQCLSA-N	1	0	366.487	1.072	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCC(C)([NH+]2CCOCC2)CC1	ZINC000528728569	539780263	/nfs/dbraw/zinc/78/02/63/539780263.db2.gz	CKDBAVWUKAFQJA-QFBILLFUSA-N	1	0	350.507	1.616	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C1	ZINC000269399109	180293713	/nfs/dbraw/zinc/29/37/13/180293713.db2.gz	VFRJEPZAPASLCM-MRXNPFEDSA-N	1	0	374.441	1.121	20	30		FDEDRO
CCOC(=O)Nc1ccc(NC(=O)C(=O)NCC[N@H+](C)C2CC2)cc1C#N	ZINC000269826249	180399469	/nfs/dbraw/zinc/39/94/69/180399469.db2.gz	RNFDPGAYMYMYJU-UHFFFAOYSA-N	1	0	373.413	1.276	20	30		FDEDRO
Cn1nccc1[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2C#N)CCO1	ZINC000530233087	539916572	/nfs/dbraw/zinc/91/65/72/539916572.db2.gz	HFRZXFRRDXNSKC-BXWFABGCSA-N	1	0	356.426	1.541	20	30		FDEDRO
Cn1cc(N2CCC[C@H]([NH2+]C[C@H](O)COc3ccccc3C#N)C2)cn1	ZINC000530230202	539914431	/nfs/dbraw/zinc/91/44/31/539914431.db2.gz	FLACLJSQZVOFDB-WMZOPIPTSA-N	1	0	355.442	1.290	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCN(C2CCCCC2)C1=O	ZINC000530230943	539915176	/nfs/dbraw/zinc/91/51/76/539915176.db2.gz	DYAWKMSSYMJFSL-ZWKOTPCHSA-N	1	0	357.454	1.821	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)NCC[N@H+](C)C3CCCC3)CC2)c1C#N	ZINC000530355849	539949976	/nfs/dbraw/zinc/94/99/76/539949976.db2.gz	ZEHSKCKKBJEITQ-UHFFFAOYSA-N	1	0	373.505	1.306	20	30		FDEDRO
Cn1cc([C@H](CO)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)cn1	ZINC000274122294	181028968	/nfs/dbraw/zinc/02/89/68/181028968.db2.gz	XDOXJAVSUXLDBO-HNNXBMFYSA-N	1	0	373.482	1.884	20	30		FDEDRO
Cc1ccc(-n2nc(CCCNC(=O)[C@H]3CC[N@@H+](C)C3)c(C#N)c2N)cc1	ZINC000530745561	540034135	/nfs/dbraw/zinc/03/41/35/540034135.db2.gz	JMTKCIKHLWUHPY-HNNXBMFYSA-N	1	0	366.469	1.635	20	30		FDEDRO
COC(=O)C[N@H+](CCC(=O)Nc1sccc1C#N)C1CCOCC1	ZINC000532589422	540175178	/nfs/dbraw/zinc/17/51/78/540175178.db2.gz	JQAJOMKLXVXJFV-UHFFFAOYSA-N	1	0	351.428	1.602	20	30		FDEDRO
COC(=O)CC[N@H+](CCC(=O)Nc1ccccc1C#N)C[C@H]1CCCO1	ZINC000533435971	540246880	/nfs/dbraw/zinc/24/68/80/540246880.db2.gz	DVLNJQXIFBDKHK-MRXNPFEDSA-N	1	0	359.426	1.931	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(Cc3cccc(C(=O)OC)c3C#N)C2)CC1	ZINC000534471299	540371876	/nfs/dbraw/zinc/37/18/76/540371876.db2.gz	DUXVOGAKSXITRI-QGZVFWFLSA-N	1	0	356.470	1.557	20	30		FDEDRO
C=CC[C@@H](CO)CNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000538187516	540822611	/nfs/dbraw/zinc/82/26/11/540822611.db2.gz	JOYXXHDACMITLI-GOSISDBHSA-N	1	0	360.502	1.683	20	30		FDEDRO
CC[C@@H]1C[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C[C@@H]1O	ZINC000538392485	540852819	/nfs/dbraw/zinc/85/28/19/540852819.db2.gz	FVBRGBFVUSGNRL-PMPSAXMXSA-N	1	0	362.499	1.160	20	30		FDEDRO
CS(=O)(=O)Nc1cccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)c1	ZINC000539418462	540957445	/nfs/dbraw/zinc/95/74/45/540957445.db2.gz	AJVIYOLMLPRODG-UHFFFAOYSA-N	1	0	355.423	1.867	20	30		FDEDRO
CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000539922395	541007885	/nfs/dbraw/zinc/00/78/85/541007885.db2.gz	TUXLRJOPSMZQLT-INIZCTEOSA-N	1	0	370.457	1.149	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC1([NH+](C)C)CCC1	ZINC000275465528	181324807	/nfs/dbraw/zinc/32/48/07/181324807.db2.gz	NTVFBSHHCUYXSV-CQSZACIVSA-N	1	0	357.462	1.053	20	30		FDEDRO
COc1ccc([C@H](CCO)[NH2+]CC(=O)NCc2cccc(C#N)c2)cc1	ZINC000540330514	541047022	/nfs/dbraw/zinc/04/70/22/541047022.db2.gz	VSLFBSLGFSLUAE-IBGZPJMESA-N	1	0	353.422	1.896	20	30		FDEDRO
C=CC[C@H](CO)CNC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1	ZINC000540410098	541055209	/nfs/dbraw/zinc/05/52/09/541055209.db2.gz	QSIHCDIDVGNQQV-SFHVURJKSA-N	1	0	361.486	1.627	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)o1	ZINC000540618997	541081575	/nfs/dbraw/zinc/08/15/75/541081575.db2.gz	ZCQWZMMGOJNJOM-UHFFFAOYSA-N	1	0	353.444	1.214	20	30		FDEDRO
Cn1c(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(C#N)c(=O)n(C)c1=O	ZINC000106262391	209272493	/nfs/dbraw/zinc/27/24/93/209272493.db2.gz	WVTKHYLWXAEWJV-OAHLLOKOSA-N	1	0	353.426	1.032	20	30		FDEDRO
C[C@@H](CCNC(=O)N(C)CCCc1[nH]nc(N)c1C#N)[NH+]1CCCCC1	ZINC000541521068	541222502	/nfs/dbraw/zinc/22/25/02/541222502.db2.gz	OWMZPEJREOCPCU-AWEZNQCLSA-N	1	0	361.494	1.702	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N(C)CCC[NH+]2CCCC2)c1	ZINC000541764242	541261429	/nfs/dbraw/zinc/26/14/29/541261429.db2.gz	WUZDFLSOGONFLA-UHFFFAOYSA-N	1	0	365.499	1.709	20	30		FDEDRO
C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(C)CCCc1[nH]nc(N)c1C#N	ZINC000541900547	541293759	/nfs/dbraw/zinc/29/37/59/541293759.db2.gz	KPTKNGHRHYEHLN-ZIAGYGMSSA-N	1	0	361.494	1.700	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1	ZINC000542133649	541344639	/nfs/dbraw/zinc/34/46/39/541344639.db2.gz	LDOYNCILYXWRQO-GDZNZVCISA-N	1	0	366.487	1.428	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)c2cccc(CNc3ccncn3)c2)CC1	ZINC000542592665	541429705	/nfs/dbraw/zinc/42/97/05/541429705.db2.gz	DRCYYANBUHIXNH-UHFFFAOYSA-N	1	0	350.426	1.806	20	30		FDEDRO
CC[NH+]1CCN(CC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1	ZINC000542998278	541516201	/nfs/dbraw/zinc/51/62/01/541516201.db2.gz	NKEAAFAUJFIHLA-UHFFFAOYSA-N	1	0	372.860	1.973	20	30		FDEDRO
Cc1ccnc(N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c1C#N	ZINC000543138625	541538779	/nfs/dbraw/zinc/53/87/79/541538779.db2.gz	PAXNNJAQQVQERF-SFHVURJKSA-N	1	0	351.454	1.963	20	30		FDEDRO
CC[NH+](CC)CCOCCNS(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000543686918	541635548	/nfs/dbraw/zinc/63/55/48/541635548.db2.gz	HLUJPUGYSILYJW-UHFFFAOYSA-N	1	0	359.879	1.848	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)[NH+](C)C	ZINC000269822077	674113211	/nfs/dbraw/zinc/11/32/11/674113211.db2.gz	QGTOMPXSXBKNEH-LLVKDONJSA-N	1	0	357.439	1.687	20	30		FDEDRO
COc1ccc(NC(=O)CC[N@H+](C)CCCc2[nH]nc(N)c2C#N)cc1	ZINC000544127592	541719213	/nfs/dbraw/zinc/71/92/13/541719213.db2.gz	MGCHWLQCHOPZKL-UHFFFAOYSA-N	1	0	356.430	1.765	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C)c2cnn(C(C)C)c2)CC1	ZINC000544468638	541772284	/nfs/dbraw/zinc/77/22/84/541772284.db2.gz	MNOXZOUXAIFGSG-SJLPKXTDSA-N	1	0	360.506	1.807	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)c2cnn(C(C)C)c2)CC1	ZINC000544468639	541772603	/nfs/dbraw/zinc/77/26/03/541772603.db2.gz	MNOXZOUXAIFGSG-WMZOPIPTSA-N	1	0	360.506	1.807	20	30		FDEDRO
C[N@@H+]1CC[C@@](O)(CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1	ZINC000545156274	541883499	/nfs/dbraw/zinc/88/34/99/541883499.db2.gz	QUGKNOLLCONOLI-OAQYLSRUSA-N	1	0	365.433	1.934	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCCC1	ZINC000545295030	541927943	/nfs/dbraw/zinc/92/79/43/541927943.db2.gz	JBYNUSWOOYQBKP-INIZCTEOSA-N	1	0	358.442	1.742	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2OC)C[C@H]1C	ZINC000545296271	541928803	/nfs/dbraw/zinc/92/88/03/541928803.db2.gz	VPBUKJUWQZUQFJ-UKRRQHHQSA-N	1	0	358.442	1.837	20	30		FDEDRO
C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2cccc(C#N)c2)C1	ZINC000283936030	182321241	/nfs/dbraw/zinc/32/12/41/182321241.db2.gz	JTNNODLFWAPBOX-HNNXBMFYSA-N	1	0	356.470	1.801	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccc(C#N)cc1	ZINC000283942631	182323868	/nfs/dbraw/zinc/32/38/68/182323868.db2.gz	FQGJOJYVWWFMPB-FZKQIMNGSA-N	1	0	360.483	1.289	20	30		FDEDRO
C[NH+](C)CC1CCC(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1	ZINC000545482778	541983475	/nfs/dbraw/zinc/98/34/75/541983475.db2.gz	LCBOJRQVEUVXMZ-UHFFFAOYSA-N	1	0	370.501	1.905	20	30		FDEDRO
C[N@@H+]1CC[C@](O)(CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1	ZINC000545868847	542032674	/nfs/dbraw/zinc/03/26/74/542032674.db2.gz	CWGYETOHBBCHRI-SFHVURJKSA-N	1	0	371.466	1.794	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCC[N@H+]1CCCC[C@@H]1C	ZINC000545898801	542043518	/nfs/dbraw/zinc/04/35/18/542043518.db2.gz	SCWKQQFVDZSJAC-HNNXBMFYSA-N	1	0	367.457	2.443	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCC[N@H+]1CCCC[C@H]1C	ZINC000545898802	542043626	/nfs/dbraw/zinc/04/36/26/542043626.db2.gz	SCWKQQFVDZSJAC-OAHLLOKOSA-N	1	0	367.457	2.443	20	30		FDEDRO
C[C@H](C(=O)Nc1ccccc1NC1CC[NH+](C)CC1)n1cnc(C#N)n1	ZINC000545971584	542062626	/nfs/dbraw/zinc/06/26/26/542062626.db2.gz	SFXQWWADLGUJLI-CYBMUJFWSA-N	1	0	353.430	1.856	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)c1	ZINC000546070681	542089960	/nfs/dbraw/zinc/08/99/60/542089960.db2.gz	GNTRTHBEOZBDCP-UHFFFAOYSA-N	1	0	364.471	1.626	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(-n3ccnc3)ccn2)c1C#N	ZINC000546155990	542111375	/nfs/dbraw/zinc/11/13/75/542111375.db2.gz	JRHJGQWHSCFRTH-UHFFFAOYSA-N	1	0	350.386	1.266	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000286449483	183069369	/nfs/dbraw/zinc/06/93/69/183069369.db2.gz	RJUVYMHLVLGECU-WBVHZDCISA-N	1	0	373.476	1.276	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1	ZINC000286624957	183113396	/nfs/dbraw/zinc/11/33/96/183113396.db2.gz	MWHAOFYJTXASOQ-MRXNPFEDSA-N	1	0	353.430	1.114	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C	ZINC000287220973	183239063	/nfs/dbraw/zinc/23/90/63/183239063.db2.gz	RKYCPOQMVWLGTG-QGZVFWFLSA-N	1	0	358.486	1.999	20	30		FDEDRO
C[NH+](C)CCCN(C(=O)c1ccc(F)c(C#N)c1)[C@H]1CCS(=O)(=O)C1	ZINC000287470467	183300300	/nfs/dbraw/zinc/30/03/00/183300300.db2.gz	MIUXMOOZDQQBKS-HNNXBMFYSA-N	1	0	367.446	1.278	20	30		FDEDRO
C[NH+](C)CC(=O)N1CCN(Cc2ccc(Br)cc2C#N)CC1	ZINC000287523206	183314576	/nfs/dbraw/zinc/31/45/76/183314576.db2.gz	ZDCJVGXZAQIUEH-UHFFFAOYSA-N	1	0	365.275	1.527	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C	ZINC000288162066	183413062	/nfs/dbraw/zinc/41/30/62/183413062.db2.gz	QCJXVDDYVWREKT-DZGCQCFKSA-N	1	0	356.426	1.591	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2nnn(C)n2)[C@H](C[NH2+]Cc2cc(C#N)ccc2F)C1	ZINC001087200736	781967289	/nfs/dbraw/zinc/96/72/89/781967289.db2.gz	KTCGHNINXGRJMV-DOMZBBRYSA-N	1	0	371.420	1.251	20	30		FDEDRO
CCOC[C@H](C)CS(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000295044713	184029902	/nfs/dbraw/zinc/02/99/02/184029902.db2.gz	AEZKPDSSYBCZHR-INIZCTEOSA-N	1	0	367.515	1.924	20	30		FDEDRO
C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCN2CCO[C@H]1C2	ZINC000295432214	184070107	/nfs/dbraw/zinc/07/01/07/184070107.db2.gz	ODTBNKXRBOQTJP-SJORKVTESA-N	1	0	362.861	1.945	20	30		FDEDRO
C[C@H](CN1CCN(c2ccccn2)CC1)Nc1ncc(C#N)cc1[N+](=O)[O-]	ZINC000296923727	184214771	/nfs/dbraw/zinc/21/47/71/184214771.db2.gz	AUKZOPFDATUGOZ-CQSZACIVSA-N	1	0	367.413	1.879	20	30		FDEDRO
COc1cc(C#N)ccc1C[NH+]1CCC(n2cnc(C(N)=O)c2N)CC1	ZINC000297702629	184310140	/nfs/dbraw/zinc/31/01/40/184310140.db2.gz	QNGSFUYSTBBOQG-UHFFFAOYSA-N	1	0	354.414	1.282	20	30		FDEDRO
CN(Cc1ccco1)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000297979711	184368568	/nfs/dbraw/zinc/36/85/68/184368568.db2.gz	UNMZPBVFDHBQNF-UHFFFAOYSA-N	1	0	368.437	1.700	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1	ZINC000297923840	184356707	/nfs/dbraw/zinc/35/67/07/184356707.db2.gz	CBERTRRGGJDGOM-UHFFFAOYSA-N	1	0	354.454	1.603	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1	ZINC000298010694	184374447	/nfs/dbraw/zinc/37/44/47/184374447.db2.gz	SLLKEQZZWONWPP-IBGZPJMESA-N	1	0	368.481	1.994	20	30		FDEDRO
COc1cc(C#N)ccc1NCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1	ZINC000547415002	542335452	/nfs/dbraw/zinc/33/54/52/542335452.db2.gz	ZDGBORHITZBCEE-MRXNPFEDSA-N	1	0	360.458	1.452	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NCCC[NH+]2CCC(O)CC2)cc1Cl	ZINC000078803234	208934317	/nfs/dbraw/zinc/93/43/17/208934317.db2.gz	RZNGBCKAPQYOIK-UHFFFAOYSA-N	1	0	364.833	1.113	20	30		FDEDRO
CCS(=O)(=O)NCCC[NH+]1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000270006427	674152394	/nfs/dbraw/zinc/15/23/94/674152394.db2.gz	JMZGJRYEXZWRIE-UHFFFAOYSA-N	1	0	351.472	1.731	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](N3CC[NH+](CC4CCOCC4)CC3)C2=O)cc1	ZINC000172422458	258276193	/nfs/dbraw/zinc/27/61/93/258276193.db2.gz	SXEILZYNUCFYPI-FQEVSTJZSA-N	1	0	368.481	1.708	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000549260600	542859750	/nfs/dbraw/zinc/85/97/50/542859750.db2.gz	GZPGQVNPNHPLAC-IAGOWNOFSA-N	1	0	361.490	1.517	20	30		FDEDRO
CN1CCN(C(=O)c2cnn3c2C[C@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)CC3)CC1	ZINC000549549210	542898215	/nfs/dbraw/zinc/89/82/15/542898215.db2.gz	NBFJTHTZKWDZRJ-ZACQAIPSSA-N	1	0	370.501	1.115	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCC(C)CC1	ZINC000550103354	543007348	/nfs/dbraw/zinc/00/73/48/543007348.db2.gz	KGIJSPCGRPCMBB-IAGOWNOFSA-N	1	0	351.491	1.322	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2cc(F)cc(F)c2)CC1	ZINC000550402991	543093237	/nfs/dbraw/zinc/09/32/37/543093237.db2.gz	CKIVSUNMWGWFPF-UHFFFAOYSA-N	1	0	351.397	1.738	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1	ZINC000550783111	543172898	/nfs/dbraw/zinc/17/28/98/543172898.db2.gz	WNVQPVOUARGFIH-UHFFFAOYSA-N	1	0	365.437	1.483	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc3c(c2)CCO3)CC1	ZINC000550836775	543184471	/nfs/dbraw/zinc/18/44/71/543184471.db2.gz	VQSHEIGOEGJNBO-UHFFFAOYSA-N	1	0	357.454	1.394	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000551009561	543214672	/nfs/dbraw/zinc/21/46/72/543214672.db2.gz	PAOHMBGGWQBKGY-QGZVFWFLSA-N	1	0	361.511	1.803	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cnsn2)C[C@H]1c1ccccc1	ZINC001211540120	782009174	/nfs/dbraw/zinc/00/91/74/782009174.db2.gz	FSPSYJWEFARTNP-DOTOQJQBSA-N	1	0	358.467	1.939	20	30		FDEDRO
CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2ccc(C#N)cc2C)CC1	ZINC000173457072	258299913	/nfs/dbraw/zinc/29/99/13/258299913.db2.gz	MUWAOHJOQXGBEN-OAHLLOKOSA-N	1	0	364.515	1.419	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2nc(C(C)(C)C)cs2)CC1	ZINC000286248998	675892989	/nfs/dbraw/zinc/89/29/89/675892989.db2.gz	CEHCIXDCMCROFV-UHFFFAOYSA-N	1	0	364.515	1.823	20	30		FDEDRO
CCN(C1CC[NH+](CCOc2ccc(C#N)cc2)CC1)S(C)(=O)=O	ZINC000066883384	172000788	/nfs/dbraw/zinc/00/07/88/172000788.db2.gz	KTQIOKWBEUWGFH-UHFFFAOYSA-N	1	0	351.472	1.683	20	30		FDEDRO
C[C@H]1CCCN(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)C1	ZINC000068350501	172017903	/nfs/dbraw/zinc/01/79/03/172017903.db2.gz	UVEMNQSCVAOKMO-INIZCTEOSA-N	1	0	364.515	1.899	20	30		FDEDRO
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCN(c3ccc(C#N)cn3)CC1)C2	ZINC000075313442	172090833	/nfs/dbraw/zinc/09/08/33/172090833.db2.gz	HGXYDMHYDNYGGV-AYHJJNSGSA-N	1	0	368.485	1.800	20	30		FDEDRO
CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1	ZINC000091242075	172281242	/nfs/dbraw/zinc/28/12/42/172281242.db2.gz	YOICYMKLRVRJPV-AWEZNQCLSA-N	1	0	374.489	1.639	20	30		FDEDRO
C[NH+](C)CCc1ccc(NC(=O)C(=O)NCc2cccc(C#N)c2)cc1	ZINC000102811936	172355608	/nfs/dbraw/zinc/35/56/08/172355608.db2.gz	LZDINNWZXGCYCO-UHFFFAOYSA-N	1	0	350.422	1.917	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1	ZINC000103587422	172369586	/nfs/dbraw/zinc/36/95/86/172369586.db2.gz	QXKCFNUBRNUXKN-UHFFFAOYSA-N	1	0	361.421	1.715	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(c2ncccc2C#N)CC1)[N@@H+]1CCC[C@@H](C)C1	ZINC000126958469	173060635	/nfs/dbraw/zinc/06/06/35/173060635.db2.gz	MNQHRTVUSIRFHB-SJORKVTESA-N	1	0	370.501	1.905	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@H](C)C[C@H](C)C3)CC2)o1	ZINC000127358896	173073017	/nfs/dbraw/zinc/07/30/17/173073017.db2.gz	NFWXZUXFLZCNJJ-GJZGRUSLSA-N	1	0	359.474	1.871	20	30		FDEDRO
C[C@H](CO[C@@H]1CCOC1)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000130823077	173181198	/nfs/dbraw/zinc/18/11/98/173181198.db2.gz	RGSDTNYCRSDPNK-VQIMIIECSA-N	1	0	374.485	1.825	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCn2ccnc2C1	ZINC000131205520	173192776	/nfs/dbraw/zinc/19/27/76/173192776.db2.gz	LZCNGURIEDUHTM-SFHVURJKSA-N	1	0	351.454	1.908	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCn2cncc2C1	ZINC000131205741	173192950	/nfs/dbraw/zinc/19/29/50/173192950.db2.gz	FUDXOWSUDWBHJT-GOSISDBHSA-N	1	0	351.454	1.908	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCN(c3ncccc3C#N)CC2)C1	ZINC000134086816	173318054	/nfs/dbraw/zinc/31/80/54/173318054.db2.gz	GBHHMOUSOINPSE-KRWDZBQOSA-N	1	0	370.501	1.763	20	30		FDEDRO
CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)nc2)CC1	ZINC000175452213	174006976	/nfs/dbraw/zinc/00/69/76/174006976.db2.gz	PCQHMKNUOBLKJJ-UHFFFAOYSA-N	1	0	352.460	1.121	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1	ZINC000175961162	174040235	/nfs/dbraw/zinc/04/02/35/174040235.db2.gz	JOYYZKMMYVMWEE-UHFFFAOYSA-N	1	0	358.417	1.970	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)Nc3ccc(F)cc3C#N)CC2)CCO1	ZINC000175966231	174040914	/nfs/dbraw/zinc/04/09/14/174040914.db2.gz	CLRKNTCALJPTFS-CYBMUJFWSA-N	1	0	374.416	1.348	20	30		FDEDRO
N#Cc1cccc(OCCC[NH+]2CCC(C(=O)N3CCOCC3)CC2)c1	ZINC000178296949	174182256	/nfs/dbraw/zinc/18/22/56/174182256.db2.gz	ICQODFMYZUNSMH-UHFFFAOYSA-N	1	0	357.454	1.898	20	30		FDEDRO
CN(CCN(C)S(=O)(=O)c1ccccc1C#N)C1CC[NH+](C)CC1	ZINC000181070938	174205698	/nfs/dbraw/zinc/20/56/98/174205698.db2.gz	YWHRMKULILGUKE-UHFFFAOYSA-N	1	0	350.488	1.205	20	30		FDEDRO
CN(C)C(=O)[C@H]1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)O1	ZINC000180359700	258367225	/nfs/dbraw/zinc/36/72/25/258367225.db2.gz	JFPKSSXDGPOKCZ-QZTJIDSGSA-N	1	0	367.453	1.684	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)c1C#N	ZINC000176337972	258324679	/nfs/dbraw/zinc/32/46/79/258324679.db2.gz	KTFTWZYLFYMCJW-UHFFFAOYSA-N	1	0	372.469	1.765	20	30		FDEDRO
CC[C@@H]1CN([C@@H]2CCN(c3sccc3C#N)C2=O)CC[N@@H+]1C[C@H](C)O	ZINC000246608758	258397458	/nfs/dbraw/zinc/39/74/58/258397458.db2.gz	XYYYPHXJNPPOAP-NUEKZKHPSA-N	1	0	362.499	1.502	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)CC1	ZINC000553327029	543609753	/nfs/dbraw/zinc/60/97/53/543609753.db2.gz	KPPCKIUKLCUFSB-UHFFFAOYSA-N	1	0	352.523	1.378	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@]2(CO)CC(C)C)CC1	ZINC000553330880	543611510	/nfs/dbraw/zinc/61/15/10/543611510.db2.gz	XNCRCQVCQUPNAV-LJQANCHMSA-N	1	0	351.491	1.153	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cccc(Br)c1C#N	ZINC000553799057	543699199	/nfs/dbraw/zinc/69/91/99/543699199.db2.gz	COOKAPZBLNUOCN-JTQLQIEISA-N	1	0	358.261	1.693	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)c3cnccc3C#N)cn2)CC1	ZINC000553613163	543669814	/nfs/dbraw/zinc/66/98/14/543669814.db2.gz	RGAUGBFOSUGEEG-UHFFFAOYSA-N	1	0	350.426	1.420	20	30		FDEDRO
C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCC(=O)NCC#N)C1	ZINC000553807495	543699905	/nfs/dbraw/zinc/69/99/05/543699905.db2.gz	NITNMZADDIMPCL-OAHLLOKOSA-N	1	0	357.458	1.357	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1	ZINC000553670148	543678144	/nfs/dbraw/zinc/67/81/44/543678144.db2.gz	YNJKFUALYLLFHS-UHFFFAOYSA-N	1	0	372.425	1.246	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCCn2cnc(C#N)n2)[C@@H](C)C[N@@H+]1Cc1ccccc1	ZINC000553953943	543723637	/nfs/dbraw/zinc/72/36/37/543723637.db2.gz	XOPUFJZMSWXVIJ-CVEARBPZSA-N	1	0	367.457	1.454	20	30		FDEDRO
CN1C(=O)C[C@@H]([NH2+]CC(=O)NC2(C#N)CCC2)[C@H]1c1ccc(Cl)cc1	ZINC000553911589	543716777	/nfs/dbraw/zinc/71/67/77/543716777.db2.gz	BAMOGMLXTNMWCU-RHSMWYFYSA-N	1	0	360.845	1.764	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1	ZINC000554342742	543788169	/nfs/dbraw/zinc/78/81/69/543788169.db2.gz	DBKWGJFNOUHQQA-WBVHZDCISA-N	1	0	359.470	1.809	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C2CCN(C(=O)C3CC3)CC2)cc1	ZINC000555392263	543951608	/nfs/dbraw/zinc/95/16/08/543951608.db2.gz	KVLRJEFTZUWZET-UHFFFAOYSA-N	1	0	361.467	1.323	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)cc1	ZINC000555761771	544023796	/nfs/dbraw/zinc/02/37/96/544023796.db2.gz	LCRXJUHSEYFZGB-MSOLQXFVSA-N	1	0	364.467	1.242	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1	ZINC000555860093	544042020	/nfs/dbraw/zinc/04/20/20/544042020.db2.gz	UTPKVYAHXMNABZ-WBVHZDCISA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCCCCC1	ZINC000555912557	544054012	/nfs/dbraw/zinc/05/40/12/544054012.db2.gz	NGUFQCFAYXCAAG-QGZVFWFLSA-N	1	0	353.507	1.664	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1	ZINC000555922969	544055461	/nfs/dbraw/zinc/05/54/61/544055461.db2.gz	WXILDDMFSPSODR-SJORKVTESA-N	1	0	352.523	1.236	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)c1	ZINC000556816073	544207093	/nfs/dbraw/zinc/20/70/93/544207093.db2.gz	CNJQPRJFKJCMMY-SFHVURJKSA-N	1	0	354.454	1.651	20	30		FDEDRO
CCN(CC)C(=O)C[NH+]1CCC(NC(=O)COc2ccc(C#N)cc2)CC1	ZINC000556854780	544215051	/nfs/dbraw/zinc/21/50/51/544215051.db2.gz	PANDJFBFNIPQAT-UHFFFAOYSA-N	1	0	372.469	1.386	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)NCC3([NH3+])CCCCC3)CC2)c1C#N	ZINC000557208158	544262979	/nfs/dbraw/zinc/26/29/79/544262979.db2.gz	QEELXMCPJZMTAB-UHFFFAOYSA-N	1	0	362.503	1.816	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)NC[C@H]3CCC[C@@H]([NH3+])C3)CC2)c1C#N	ZINC000557233087	544267000	/nfs/dbraw/zinc/26/70/00/544267000.db2.gz	SCVBWQDOULKTDX-UONOGXRCSA-N	1	0	362.503	1.672	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)o1	ZINC000557823956	544350724	/nfs/dbraw/zinc/35/07/24/544350724.db2.gz	PQWRLFGTILIXOG-QGZVFWFLSA-N	1	0	361.423	1.067	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)Cn2nc(C(F)(F)F)cc2C)c1C#N	ZINC000558476218	544444430	/nfs/dbraw/zinc/44/44/30/544444430.db2.gz	RPCZZOGZFMQRSX-UHFFFAOYSA-N	1	0	369.351	1.596	20	30		FDEDRO
C=C(C)Cn1c(CC(C)C)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000559027666	544573601	/nfs/dbraw/zinc/57/36/01/544573601.db2.gz	HVWDLOJMXKSAMC-UHFFFAOYSA-N	1	0	374.533	1.797	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NC[C@@H](CC)[N@@H+]1CCc2ccccc2C1	ZINC000559749693	544783698	/nfs/dbraw/zinc/78/36/98/544783698.db2.gz	NZZMNFYPHUTMEL-LJQANCHMSA-N	1	0	373.497	1.601	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1	ZINC000559679774	544763988	/nfs/dbraw/zinc/76/39/88/544763988.db2.gz	BZKNRTXEYDLRBV-UHFFFAOYSA-N	1	0	373.497	1.737	20	30		FDEDRO
C[N@H+]1CC=C(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1	ZINC000560221932	544919674	/nfs/dbraw/zinc/91/96/74/544919674.db2.gz	ONSAKPBEMFHNMR-OAHLLOKOSA-N	1	0	372.856	1.943	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@H]2COc3ccccc3O2)cc1	ZINC000560369211	544979450	/nfs/dbraw/zinc/97/94/50/544979450.db2.gz	OVQSDILMCDMGHD-AEFFLSMTSA-N	1	0	354.406	1.922	20	30		FDEDRO
CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2ccc(C#N)cn2)c1	ZINC000293473239	258879143	/nfs/dbraw/zinc/87/91/43/258879143.db2.gz	RTGCJNAGGKXJBM-UHFFFAOYSA-N	1	0	351.410	1.660	20	30		FDEDRO
C[NH+](C)[C@H](CNc1ccc(S(N)(=O)=O)cc1C#N)c1cccs1	ZINC000301200729	259023485	/nfs/dbraw/zinc/02/34/85/259023485.db2.gz	MQNKNCSEUQINMA-CQSZACIVSA-N	1	0	350.469	1.982	20	30		FDEDRO
Cc1cc(F)cc2c1ncc(C#N)c2N1CCN(C(=O)C[NH+](C)C)CC1	ZINC000301352738	259025864	/nfs/dbraw/zinc/02/58/64/259025864.db2.gz	NKAUCUBZQSNSOG-UHFFFAOYSA-N	1	0	355.417	1.764	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)[C@@H](C)C1	ZINC000330993181	259172387	/nfs/dbraw/zinc/17/23/87/259172387.db2.gz	LCPWDXYEQQJWEZ-GXTWGEPZSA-N	1	0	366.443	1.817	20	30		FDEDRO
C[NH+](C)CCCN(C(=O)c1sccc1C#N)[C@H]1CCS(=O)(=O)C1	ZINC000331241643	259182541	/nfs/dbraw/zinc/18/25/41/259182541.db2.gz	NBNNMCQHVOHRGV-ZDUSSCGKSA-N	1	0	355.485	1.201	20	30		FDEDRO
Cc1cc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)c(C#N)cc1N(C)C	ZINC000331236881	259182678	/nfs/dbraw/zinc/18/26/78/259182678.db2.gz	GXOUNBRMAYAMPA-UHFFFAOYSA-N	1	0	359.474	1.853	20	30		FDEDRO
C[C@@H]1CN(C(=O)CNc2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1	ZINC000332065461	259238652	/nfs/dbraw/zinc/23/86/52/259238652.db2.gz	ROSVSKRZTSKYHN-MRXNPFEDSA-N	1	0	355.486	1.597	20	30		FDEDRO
CCC[NH+]1CCC(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1	ZINC000332071935	259239091	/nfs/dbraw/zinc/23/90/91/259239091.db2.gz	WBZLRHOTCVASJY-UHFFFAOYSA-N	1	0	370.501	1.907	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC[C@@H]1[NH3+]	ZINC000332539405	259275267	/nfs/dbraw/zinc/27/52/67/259275267.db2.gz	KISBFVLESMBILK-KDOFPFPSSA-N	1	0	352.438	1.370	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1	ZINC000333494732	259353862	/nfs/dbraw/zinc/35/38/62/259353862.db2.gz	DRPFPOYCKFTKTH-FUHWJXTLSA-N	1	0	363.483	1.774	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@@]4(CC[NH2+]C4)C3)C2=O)cc1	ZINC000333593870	259361969	/nfs/dbraw/zinc/36/19/69/259361969.db2.gz	OSIHFBDBJQYPIG-FXAWDEMLSA-N	1	0	367.453	1.449	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC(n3ncc4c3C[NH2+]C4)CC2)cc1	ZINC000333641358	259365666	/nfs/dbraw/zinc/36/56/66/259365666.db2.gz	XIZKSGULOPAMNI-UHFFFAOYSA-N	1	0	357.439	1.384	20	30		FDEDRO
N#Cc1ccccc1N1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1	ZINC000333892346	259390840	/nfs/dbraw/zinc/39/08/40/259390840.db2.gz	HEXVPYLVKPZITK-KZNAEPCWSA-N	1	0	353.470	1.778	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)CN2CCO[C@@H](c3cccc(C#N)c3)C2)CC1	ZINC000367142297	260000612	/nfs/dbraw/zinc/00/06/12/260000612.db2.gz	UNPXIDLYMPQENO-HXUWFJFHSA-N	1	0	370.497	1.921	20	30		FDEDRO
CCc1nnc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(C#N)c1CC	ZINC000367199036	260009097	/nfs/dbraw/zinc/00/90/97/260009097.db2.gz	AEJRSFIAYFELJV-DNVCBOLYSA-N	1	0	356.518	1.935	20	30		FDEDRO
Cn1cc(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)cc1C#N	ZINC000367205696	260009589	/nfs/dbraw/zinc/00/95/89/260009589.db2.gz	LAVPRXVKNQVAEB-ZDUSSCGKSA-N	1	0	364.496	1.759	20	30		FDEDRO
C[C@@H](CO)[N@@H+]1CCCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000367344881	260027565	/nfs/dbraw/zinc/02/75/65/260027565.db2.gz	BQPIUNVSTVQHPR-DOTOQJQBSA-N	1	0	374.460	1.439	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH2+]C[C@H]3CN(C4CC4)CCO3)C2=O)cc1	ZINC000367867087	260102151	/nfs/dbraw/zinc/10/21/51/260102151.db2.gz	ANQPCLHCOSFQDN-OALUTQOASA-N	1	0	354.454	1.506	20	30		FDEDRO
CCN1CCO[C@@H](CN2CCN(c3nc4ccccn4c3C#N)CC2)C1	ZINC000368057587	260129468	/nfs/dbraw/zinc/12/94/68/260129468.db2.gz	JPKZHSRIDJNZFA-MRXNPFEDSA-N	1	0	354.458	1.049	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCCO[C@@H]4CCC[C@@H]43)CC2)o1	ZINC000369471465	260372807	/nfs/dbraw/zinc/37/28/07/260372807.db2.gz	OMWJFRRZUXMHPH-DLBZAZTESA-N	1	0	373.457	1.147	20	30		FDEDRO
N#Cc1cccc(CCNC(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)c1	ZINC000369862929	260444477	/nfs/dbraw/zinc/44/44/77/260444477.db2.gz	JYIMOPVREJQYDW-OALUTQOASA-N	1	0	356.470	1.901	20	30		FDEDRO
CC1(C[NH+]2CCOCC2)CCN(C(=O)COc2ccccc2C#N)CC1	ZINC000371364327	260698218	/nfs/dbraw/zinc/69/82/18/260698218.db2.gz	MPTCWNALUOEOQA-UHFFFAOYSA-N	1	0	357.454	1.898	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000373845603	261046942	/nfs/dbraw/zinc/04/69/42/261046942.db2.gz	PEPBRASCRFGCNJ-HUUCEWRRSA-N	1	0	373.457	1.033	20	30		FDEDRO
C[NH+]1CCC2(CCCN(C(=O)CNC(=O)c3ccc(C#N)cc3)C2)CC1	ZINC000374107231	261079186	/nfs/dbraw/zinc/07/91/86/261079186.db2.gz	LSHUGWVLEILHDI-UHFFFAOYSA-N	1	0	354.454	1.622	20	30		FDEDRO
C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1(S(C)(=O)=O)CC1	ZINC000375602317	261380211	/nfs/dbraw/zinc/38/02/11/261380211.db2.gz	GOERXMBDCIWOBD-BBRMVZONSA-N	1	0	361.467	1.609	20	30		FDEDRO
CN(CC(=O)NCc1cccc(C#N)c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000378427715	262022941	/nfs/dbraw/zinc/02/29/41/262022941.db2.gz	JGNWIVLENPKVHT-HXUWFJFHSA-N	1	0	369.513	1.275	20	30		FDEDRO
CN(CC(=O)NCc1cccc(C#N)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000378427714	262023511	/nfs/dbraw/zinc/02/35/11/262023511.db2.gz	JGNWIVLENPKVHT-FQEVSTJZSA-N	1	0	369.513	1.275	20	30		FDEDRO
Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CNC(=O)c1c[nH]c(C#N)c1	ZINC000378470170	262031798	/nfs/dbraw/zinc/03/17/98/262031798.db2.gz	JCZHOYZOZVDAHC-UHFFFAOYSA-N	1	0	355.446	1.000	20	30		FDEDRO
COc1ccc(S(C)(=O)=O)cc1C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000270987068	674295434	/nfs/dbraw/zinc/29/54/34/674295434.db2.gz	FPYOMMCKCWRUMT-UHFFFAOYSA-N	1	0	367.471	1.406	20	30		FDEDRO
CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)cc1	ZINC000271155879	674316373	/nfs/dbraw/zinc/31/63/73/674316373.db2.gz	CUXRREQJOOUTJC-MRXNPFEDSA-N	1	0	350.488	1.537	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)nn1CCC#N	ZINC000504592855	490805658	/nfs/dbraw/zinc/80/56/58/490805658.db2.gz	NTQHMJBUYJWZAC-UHFFFAOYSA-N	1	0	360.462	1.280	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000544126299	490958406	/nfs/dbraw/zinc/95/84/06/490958406.db2.gz	BJHUTMZEHJUZMA-GFCCVEGCSA-N	1	0	374.401	1.076	20	30		FDEDRO
C[N@@H+]1CCCC[C@H](CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1	ZINC000600034328	492234686	/nfs/dbraw/zinc/23/46/86/492234686.db2.gz	GDMWGEZSURNMLU-CYBMUJFWSA-N	1	0	360.462	1.296	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1	ZINC000024769688	519013943	/nfs/dbraw/zinc/01/39/43/519013943.db2.gz	BHLMTQMWANZPNB-ZDUSSCGKSA-N	1	0	374.441	1.443	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(C(=O)NC)CC2)c(OC)c1	ZINC000025755326	519080393	/nfs/dbraw/zinc/08/03/93/519080393.db2.gz	PQXRTHWGCVVFBY-KRWDZBQOSA-N	1	0	362.470	1.621	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)NCCC[N@@H+](C)C(C)C)cc1	ZINC000041318520	519651444	/nfs/dbraw/zinc/65/14/44/519651444.db2.gz	IMPNJIVFGADYHU-UHFFFAOYSA-N	1	0	351.472	1.058	20	30		FDEDRO
C[C@@H]1C[N@@H+](CC2CCN(S(=O)(=O)CCCCC#N)CC2)C[C@H](C)O1	ZINC000068910798	521757040	/nfs/dbraw/zinc/75/70/40/521757040.db2.gz	PBOJWZMAXNGTOC-IYBDPMFKSA-N	1	0	357.520	1.831	20	30		FDEDRO
Cc1oc(NC(=O)CN2CCC(C[NH+]3CCOCC3)CC2)c(C#N)c1C	ZINC000069029246	521784997	/nfs/dbraw/zinc/78/49/97/521784997.db2.gz	IHNBQQZCSYOUQC-UHFFFAOYSA-N	1	0	360.458	1.751	20	30		FDEDRO
CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)C1	ZINC000069071078	521793531	/nfs/dbraw/zinc/79/35/31/521793531.db2.gz	KOFVVFZAOJJLAI-LJQANCHMSA-N	1	0	356.470	1.896	20	30		FDEDRO
Cc1nn(CCC(=O)N(CCC#N)CCC[NH+](C)C)c(C)c1[N+](=O)[O-]	ZINC000069576292	521919332	/nfs/dbraw/zinc/91/93/32/521919332.db2.gz	VJFKMXCFJPBUSY-UHFFFAOYSA-N	1	0	350.423	1.492	20	30		FDEDRO
N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@H](CN3CCOCC3)C2)c1	ZINC000069803130	521957993	/nfs/dbraw/zinc/95/79/93/521957993.db2.gz	LKMDWPFARKPFKE-SFHVURJKSA-N	1	0	356.470	1.931	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CN2CCOCC2)C1	ZINC000069857967	521964601	/nfs/dbraw/zinc/96/46/01/521964601.db2.gz	ALOYOQKSRDUPMX-YQVWRLOYSA-N	1	0	350.507	1.474	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1	ZINC000057176719	522023742	/nfs/dbraw/zinc/02/37/42/522023742.db2.gz	FUPJLMOHNUEZFR-UHFFFAOYSA-N	1	0	373.472	1.748	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1nnc2ccccn21	ZINC000070869526	522046363	/nfs/dbraw/zinc/04/63/63/522046363.db2.gz	OHAGWFKUGFNIDR-GOEBONIOSA-N	1	0	351.410	1.886	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)c1	ZINC000057721423	522145822	/nfs/dbraw/zinc/14/58/22/522145822.db2.gz	NRDQLICBSKWKJJ-ZDUSSCGKSA-N	1	0	351.472	1.363	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)CCC(=O)N1CCOCC1)C(C)C	ZINC000046049085	522213581	/nfs/dbraw/zinc/21/35/81/522213581.db2.gz	FNVFLOZPPORAJZ-KRWDZBQOSA-N	1	0	351.491	1.440	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[NH+](C(C)C)CC1	ZINC000046437185	522299244	/nfs/dbraw/zinc/29/92/44/522299244.db2.gz	AKGNCYLYTFTZMP-UHFFFAOYSA-N	1	0	354.458	1.703	20	30		FDEDRO
COc1cc(C#N)ccc1OCCCC(=O)NCCN1CC[NH+](C)CC1	ZINC000046744472	522345584	/nfs/dbraw/zinc/34/55/84/522345584.db2.gz	LWBYNYUDJQDASR-UHFFFAOYSA-N	1	0	360.458	1.089	20	30		FDEDRO
C=CCc1ccc(OCC(=O)NCCCN2CC[NH+](C)CC2)c(OC)c1	ZINC000061524708	522466733	/nfs/dbraw/zinc/46/67/33/522466733.db2.gz	DIQXNROIQTXQAY-UHFFFAOYSA-N	1	0	361.486	1.556	20	30		FDEDRO
CCC[N@H+](CC(=O)NCC(C)(C)N1CCOCC1)Cc1ccc(C#N)cc1	ZINC000047740084	522592843	/nfs/dbraw/zinc/59/28/43/522592843.db2.gz	VXEXDOMAHFTNIF-UHFFFAOYSA-N	1	0	372.513	1.997	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c1	ZINC000063707005	522629894	/nfs/dbraw/zinc/62/98/94/522629894.db2.gz	MCLOSYKJOYWLAC-HNNXBMFYSA-N	1	0	365.499	1.611	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCCC[C@H]2CN2CCOCC2)CC1	ZINC000074132527	522689263	/nfs/dbraw/zinc/68/92/63/522689263.db2.gz	SZSZINBMFSPFBT-SFHVURJKSA-N	1	0	350.507	1.533	20	30		FDEDRO
CCCCN(C)S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000065975156	522931886	/nfs/dbraw/zinc/93/18/86/522931886.db2.gz	VTFCWAYUCCZHGH-UHFFFAOYSA-N	1	0	352.504	1.899	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000066241337	522997279	/nfs/dbraw/zinc/99/72/79/522997279.db2.gz	UDYFJSCFNXAJLP-AWEZNQCLSA-N	1	0	352.442	1.786	20	30		FDEDRO
CC(C)[C@@H](CNS(=O)(=O)c1cccc(C#N)c1)N1CC[NH+](C)CC1	ZINC000076160886	523032153	/nfs/dbraw/zinc/03/21/53/523032153.db2.gz	MSVAKRFBIPLJDH-QGZVFWFLSA-N	1	0	350.488	1.109	20	30		FDEDRO
N#Cc1ccc(OCCC[NH+]2CCC(C(=O)N3CCOCC3)CC2)cc1	ZINC000051592138	523044560	/nfs/dbraw/zinc/04/45/60/523044560.db2.gz	NIMUHHQHSLHXGG-UHFFFAOYSA-N	1	0	357.454	1.898	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)c1	ZINC000076314687	523075464	/nfs/dbraw/zinc/07/54/64/523075464.db2.gz	ARWVIKMMMSDWNB-HXUWFJFHSA-N	1	0	371.481	1.858	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000076318126	523077133	/nfs/dbraw/zinc/07/71/33/523077133.db2.gz	WXAIDWDBJLMXIF-CQSZACIVSA-N	1	0	356.426	1.637	20	30		FDEDRO
N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000076317742	523078444	/nfs/dbraw/zinc/07/84/44/523078444.db2.gz	INIWHMRKQVAKCB-CYBMUJFWSA-N	1	0	358.467	1.984	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1CCN(CC[N@@H+](C)Cc2ccccc2)CC1	ZINC000066534394	523099246	/nfs/dbraw/zinc/09/92/46/523099246.db2.gz	BVRHJYDYTZONJI-UHFFFAOYSA-N	1	0	370.541	1.937	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1	ZINC000076965354	523219866	/nfs/dbraw/zinc/21/98/66/523219866.db2.gz	RRUCOXHOECYQBQ-SJORKVTESA-N	1	0	362.518	1.965	20	30		FDEDRO
Cc1cccc(N2C[C@H](C(=O)NC3(C#N)CC[NH+](C)CC3)CC2=O)c1C	ZINC000077037642	523239322	/nfs/dbraw/zinc/23/93/22/523239322.db2.gz	UVUTTZIUUWXMTQ-MRXNPFEDSA-N	1	0	354.454	1.761	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1	ZINC000052682310	523239412	/nfs/dbraw/zinc/23/94/12/523239412.db2.gz	RNDXWGNFXBVSHX-CQSZACIVSA-N	1	0	370.453	1.141	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC(N(C)S(=O)(=O)CC)CC2)CC1	ZINC000066978746	523289377	/nfs/dbraw/zinc/28/93/77/523289377.db2.gz	MRWQPFAXKGFJAY-UHFFFAOYSA-N	1	0	372.535	1.092	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)NCC[NH+]3CCCCC3)CC2)nc1	ZINC000067359016	523403648	/nfs/dbraw/zinc/40/36/48/523403648.db2.gz	GNACPCYMMKEUKI-UHFFFAOYSA-N	1	0	356.474	1.707	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCC(C)(C)C[NH+](C)C)cc1	ZINC000053565324	523464952	/nfs/dbraw/zinc/46/49/52/523464952.db2.gz	OBYKBEWBRBQEAF-UHFFFAOYSA-N	1	0	353.488	1.469	20	30		FDEDRO
CC(C)[NH+](CCNC(=O)N1CCN(c2ncccc2C#N)CC1)C(C)C	ZINC000078316135	523557719	/nfs/dbraw/zinc/55/77/19/523557719.db2.gz	OTVHEZWNBSCILH-UHFFFAOYSA-N	1	0	358.490	1.904	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[C@@H]([NH+](C)C)C1	ZINC000068341243	523762478	/nfs/dbraw/zinc/76/24/78/523762478.db2.gz	AMFWQKQTWITUKQ-MRXNPFEDSA-N	1	0	354.458	1.703	20	30		FDEDRO
N#CCSc1cccc(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000079540033	523763185	/nfs/dbraw/zinc/76/31/85/523763185.db2.gz	KPYDRDSJTFDSIK-HNNXBMFYSA-N	1	0	360.483	1.619	20	30		FDEDRO
N#CCOc1ccc(/C=C/C(=O)N2CC[NH+](C3CCOCC3)CC2)cc1	ZINC000081033995	523933867	/nfs/dbraw/zinc/93/38/67/523933867.db2.gz	RRDZEZZXIFXYBU-ZZXKWVIFSA-N	1	0	355.438	1.925	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1	ZINC000081079792	523937921	/nfs/dbraw/zinc/93/79/21/523937921.db2.gz	GGMOPNBVZOWNBH-INIZCTEOSA-N	1	0	365.437	1.846	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])c1	ZINC000156598071	524113116	/nfs/dbraw/zinc/11/31/16/524113116.db2.gz	NCTMWTZGHMMKEH-BBRMVZONSA-N	1	0	351.472	1.350	20	30		FDEDRO
C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C[C@@H](O)CN1CCOCC1	ZINC000156680544	524129956	/nfs/dbraw/zinc/12/99/56/524129956.db2.gz	KRHJCAGCDKVWEZ-MRXNPFEDSA-N	1	0	372.387	1.562	20	30		FDEDRO
CN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000121033491	524131966	/nfs/dbraw/zinc/13/19/66/524131966.db2.gz	BORVFFXCQMUNHO-UHFFFAOYSA-N	1	0	354.357	1.508	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)C#Cc3ccc4c(c3)OCO4)CC2)CC1	ZINC000135454921	524142115	/nfs/dbraw/zinc/14/21/15/524142115.db2.gz	DBIKBTUFEXEUSC-UHFFFAOYSA-N	1	0	369.465	1.442	20	30		FDEDRO
COCCCN(Cc1cc(C#N)ccc1OC)[C@H]1CCS(=O)(=O)C1	ZINC000121078781	524145595	/nfs/dbraw/zinc/14/55/95/524145595.db2.gz	GVQRAYJQFGUWOU-INIZCTEOSA-N	1	0	352.456	1.592	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)NCc1ccccc1OCCN1CCOCC1	ZINC000081726486	524172299	/nfs/dbraw/zinc/17/22/99/524172299.db2.gz	KUDRFIVOTBAUHO-UHFFFAOYSA-N	1	0	368.437	1.538	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000110992573	524181046	/nfs/dbraw/zinc/18/10/46/524181046.db2.gz	KQASMLIHTHMMFS-QGZVFWFLSA-N	1	0	352.442	1.930	20	30		FDEDRO
C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc(C#N)cc1F	ZINC000136144160	524187371	/nfs/dbraw/zinc/18/73/71/524187371.db2.gz	DHVIBCNIOMWCNN-AWEZNQCLSA-N	1	0	362.405	1.205	20	30		FDEDRO
C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)c2ccc(C#N)[nH]2)CC1	ZINC000121236220	524195623	/nfs/dbraw/zinc/19/56/23/524195623.db2.gz	NPDDMOLUEGBSTE-UHFFFAOYSA-N	1	0	351.410	1.916	20	30		FDEDRO
[NH2+]=C(NCc1ccnc(N2CCOCC2)c1)N[C@H]1CCOc2ccccc21	ZINC000083037803	524233806	/nfs/dbraw/zinc/23/38/06/524233806.db2.gz	MYOGQABTRCLGTQ-KRWDZBQOSA-N	1	0	367.453	1.846	20	30		FDEDRO
C=CC1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1	ZINC000111259012	524238507	/nfs/dbraw/zinc/23/85/07/524238507.db2.gz	IOSSLGJDBQKMNF-ZIAGYGMSSA-N	1	0	365.499	1.798	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](C(=O)NC)C2)c(OC)c1	ZINC000111262914	524238576	/nfs/dbraw/zinc/23/85/76/524238576.db2.gz	AVCFNNSKGOLBQD-IRXDYDNUSA-N	1	0	362.470	1.621	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(Nc2cccc(OC)c2)CC1	ZINC000111305047	524256463	/nfs/dbraw/zinc/25/64/63/524256463.db2.gz	UDBXJCCXSRLKLW-AWEZNQCLSA-N	1	0	360.458	1.972	20	30		FDEDRO
N#CCCn1ccc(NC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)n1	ZINC000173341839	524369698	/nfs/dbraw/zinc/36/96/98/524369698.db2.gz	NJUZVCLCKMJGGY-QGZVFWFLSA-N	1	0	368.441	1.337	20	30		FDEDRO
C=CCCOCCNC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1	ZINC000121888173	524397321	/nfs/dbraw/zinc/39/73/21/524397321.db2.gz	YUAIVYXUMQCRPT-UHFFFAOYSA-N	1	0	374.485	1.981	20	30		FDEDRO
N#CCCn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)n1	ZINC000086462897	524397793	/nfs/dbraw/zinc/39/77/93/524397793.db2.gz	CPRDSBAXLPESCK-OAHLLOKOSA-N	1	0	358.446	1.116	20	30		FDEDRO
COc1ccc(Cl)c(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1	ZINC000122079830	524446968	/nfs/dbraw/zinc/44/69/68/524446968.db2.gz	CGPGIPQWSHCLRM-UHFFFAOYSA-N	1	0	366.849	1.981	20	30		FDEDRO
N#Cc1ncn(CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)n1	ZINC000122127167	524457965	/nfs/dbraw/zinc/45/79/65/524457965.db2.gz	WNJSVISYNBBIIL-HNNXBMFYSA-N	1	0	358.833	1.756	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)ccc1F	ZINC000158397783	524460669	/nfs/dbraw/zinc/46/06/69/524460669.db2.gz	QBSKXUUODXUTBQ-KRWDZBQOSA-N	1	0	367.446	1.116	20	30		FDEDRO
C[NH+]=C(NCc1ccc(C(N)=O)o1)N1CCN(c2ccc(F)cc2)CC1	ZINC000089156419	524479004	/nfs/dbraw/zinc/47/90/04/524479004.db2.gz	AJEGWMXNFAUIPX-UHFFFAOYSA-N	1	0	359.405	1.415	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc1	ZINC000122256555	524492402	/nfs/dbraw/zinc/49/24/02/524492402.db2.gz	PPAVHDSTOTZQOS-XJKSGUPXSA-N	1	0	351.472	1.493	20	30		FDEDRO
C=CCN(CC=C)C(=O)CO[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1	ZINC000174127772	524517070	/nfs/dbraw/zinc/51/70/70/524517070.db2.gz	WMSLPNHHTBFSND-UHFFFAOYSA-N	1	0	372.469	1.485	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)OCc2cccc(OC)c2)c1C#N	ZINC000089676677	524519533	/nfs/dbraw/zinc/51/95/33/524519533.db2.gz	QGARDOMKQRQHML-CYBMUJFWSA-N	1	0	371.441	1.986	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)NCCCC[N@H+]2CCC[C@H]2CO)cc1	ZINC000112680288	524535508	/nfs/dbraw/zinc/53/55/08/524535508.db2.gz	PMXIEZCITZNALE-SFHVURJKSA-N	1	0	374.485	1.961	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N(C)Cc1cc(Br)cn1C	ZINC000151600672	524623920	/nfs/dbraw/zinc/62/39/20/524623920.db2.gz	AMDCXFCQWYNLHQ-SNVBAGLBSA-N	1	0	357.252	1.620	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1	ZINC000151694718	524656665	/nfs/dbraw/zinc/65/66/65/524656665.db2.gz	LRQHPXJATXBHEU-UHFFFAOYSA-N	1	0	355.442	1.598	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c1	ZINC000174646550	524672902	/nfs/dbraw/zinc/67/29/02/524672902.db2.gz	JZFCRKJWVOGNRC-JKSUJKDBSA-N	1	0	363.483	1.460	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C[C@@H](C)O)C2CCCCC2)CC1	ZINC000091556467	524724314	/nfs/dbraw/zinc/72/43/14/524724314.db2.gz	DLEJYPLMZHYGSV-IEBWSBKVSA-N	1	0	364.534	1.694	20	30		FDEDRO
CC[NH+](CC)C[C@H]1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1	ZINC000091587621	524733152	/nfs/dbraw/zinc/73/31/52/524733152.db2.gz	OJEXDYQUXOUTNR-MOPGFXCFSA-N	1	0	363.550	1.342	20	30		FDEDRO
COc1ccc(OC)c(CN2CC[NH+](CCC(=O)N(C)CCC#N)CC2)c1	ZINC000092793626	524917116	/nfs/dbraw/zinc/91/71/16/524917116.db2.gz	RBOWDFCMFOVWHO-UHFFFAOYSA-N	1	0	374.485	1.584	20	30		FDEDRO
C[C@H](C(=O)Nc1ncccn1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000124312881	524953790	/nfs/dbraw/zinc/95/37/90/524953790.db2.gz	SNKPDLXRXNXIRK-MRXNPFEDSA-N	1	0	364.453	1.883	20	30		FDEDRO
C[NH+]=C(NCc1cccnc1-n1ccnc1)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000175579318	524979695	/nfs/dbraw/zinc/97/96/95/524979695.db2.gz	AVDJYBZWQDBMAZ-MRXNPFEDSA-N	1	0	364.457	1.566	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1	ZINC000115433040	524991559	/nfs/dbraw/zinc/99/15/59/524991559.db2.gz	YDVYDNZNEJGGIY-HNNXBMFYSA-N	1	0	363.483	1.012	20	30		FDEDRO
C[N@H+](CC(C)(C)CN1CCOCC1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000124465489	524997080	/nfs/dbraw/zinc/99/70/80/524997080.db2.gz	DYALCSGXGSVBDX-IBGZPJMESA-N	1	0	370.497	1.954	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000152802563	525010050	/nfs/dbraw/zinc/01/00/50/525010050.db2.gz	ARXOBVVLMIFHMQ-DOTOQJQBSA-N	1	0	370.453	1.091	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)cc1	ZINC000176001868	525041742	/nfs/dbraw/zinc/04/17/42/525041742.db2.gz	TVTQQGCETMMXJU-LJQANCHMSA-N	1	0	355.482	1.941	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)c1C#N	ZINC000161442696	525110514	/nfs/dbraw/zinc/11/05/14/525110514.db2.gz	ZFQVGYBNSONKQA-HNNXBMFYSA-N	1	0	365.499	1.580	20	30		FDEDRO
CCc1nsc(N2CCN(C(NCc3c(C)noc3C)=[NH+]C)CC2)n1	ZINC000153157775	525125312	/nfs/dbraw/zinc/12/53/12/525125312.db2.gz	GDUKNAXCNOSHNQ-UHFFFAOYSA-N	1	0	363.491	1.603	20	30		FDEDRO
C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1	ZINC000125184739	525159187	/nfs/dbraw/zinc/15/91/87/525159187.db2.gz	PMHMPFHSWWIVMJ-VXGBXAGGSA-N	1	0	352.416	1.618	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)NCCCC[N@H+]2CCC[C@H]2CO)ccc1Cl	ZINC000161749514	525164753	/nfs/dbraw/zinc/16/47/53/525164753.db2.gz	LXYXPNAVVCFGDP-AWEZNQCLSA-N	1	0	371.890	1.727	20	30		FDEDRO
C[NH+]=C(NCc1ncc(C(C)(C)C)o1)N1CCO[C@@H](c2cnn(C)c2)C1	ZINC000153318439	525176214	/nfs/dbraw/zinc/17/62/14/525176214.db2.gz	DALBUWQZPIUOJI-CQSZACIVSA-N	1	0	360.462	1.855	20	30		FDEDRO
C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1	ZINC000162044068	525205311	/nfs/dbraw/zinc/20/53/11/525205311.db2.gz	QUJNRYNHUZIWHP-UHFFFAOYSA-N	1	0	354.332	1.680	20	30		FDEDRO
Cc1nn(C)c(C)c1OCC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000177030831	525224546	/nfs/dbraw/zinc/22/45/46/525224546.db2.gz	TWDYIQIHUHOXDB-UHFFFAOYSA-N	1	0	369.469	1.878	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N2CC[NH+]([C@H](CC)CO)CC2)cc1	ZINC000177142856	525246159	/nfs/dbraw/zinc/24/61/59/525246159.db2.gz	MZEHJOKEAGVCSA-QGZVFWFLSA-N	1	0	360.458	1.523	20	30		FDEDRO
CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c2c[nH+]ccc21	ZINC000125977649	525260319	/nfs/dbraw/zinc/26/03/19/525260319.db2.gz	POHCJXCCKPUYCU-UHFFFAOYSA-N	1	0	359.367	1.507	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N(C)CC[N@H+](C)C1CCN(C)CC1	ZINC000126453477	525313532	/nfs/dbraw/zinc/31/35/32/525313532.db2.gz	GDUROMDONZIGNO-IBGZPJMESA-N	1	0	358.486	1.730	20	30		FDEDRO
C[NH+]=C(NCCNS(=O)(=O)c1cccnc1)N[C@@H]1CCC[C@@H](C)C1	ZINC000162814124	525320061	/nfs/dbraw/zinc/32/00/61/525320061.db2.gz	BFNOBNRYRLYATJ-ZIAGYGMSSA-N	1	0	353.492	1.104	20	30		FDEDRO
Cc1oc(NC(=O)[C@H](C)N2CC[NH+](C3CCOCC3)CC2)c(C#N)c1C	ZINC000177753931	525343433	/nfs/dbraw/zinc/34/34/33/525343433.db2.gz	ZUQGORHFVLLAJM-AWEZNQCLSA-N	1	0	360.458	1.892	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1	ZINC000178042687	525373648	/nfs/dbraw/zinc/37/36/48/525373648.db2.gz	NUBXWNHAXGNVDV-QGZVFWFLSA-N	1	0	356.470	1.891	20	30		FDEDRO
[NH2+]=C(NCCCn1nc2n(c1=O)CCCC2)Nc1ccc2c(c1)CCC2	ZINC000104175674	525397779	/nfs/dbraw/zinc/39/77/79/525397779.db2.gz	VWBABMVFQRFNEW-UHFFFAOYSA-N	1	0	354.458	1.687	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NCCCN2CCN(c3ncccn3)CC2)cc1	ZINC000104161267	525397865	/nfs/dbraw/zinc/39/78/65/525397865.db2.gz	AXQLZBYORQFYGF-UHFFFAOYSA-N	1	0	369.473	1.424	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)nc2)CC1	ZINC000178319074	525412388	/nfs/dbraw/zinc/41/23/88/525412388.db2.gz	LOHIOUIWYRJFJJ-UHFFFAOYSA-N	1	0	367.247	1.549	20	30		FDEDRO
Cn1cc(N2CC[C@H]([NH2+]Cc3cccc(OCCCC#N)c3)C2=O)cn1	ZINC000117947422	525414302	/nfs/dbraw/zinc/41/43/02/525414302.db2.gz	WVVQENVGTGOABZ-SFHVURJKSA-N	1	0	353.426	1.998	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1	ZINC000178522291	525442173	/nfs/dbraw/zinc/44/21/73/525442173.db2.gz	UPXXNYJRJPKUOR-UHFFFAOYSA-N	1	0	354.410	1.989	20	30		FDEDRO
C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Cn1cnc(C#N)n1	ZINC000178721395	525469050	/nfs/dbraw/zinc/46/90/50/525469050.db2.gz	IKKUWRWLKGVZQJ-HUUCEWRRSA-N	1	0	352.442	1.423	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000118124682	525469560	/nfs/dbraw/zinc/46/95/60/525469560.db2.gz	PCLSDRMVIPZVDL-QGZVFWFLSA-N	1	0	372.469	1.653	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2cnn(C(C)(C)C(=O)OCC)c2)CC1	ZINC000178770333	525478089	/nfs/dbraw/zinc/47/80/89/525478089.db2.gz	PRWZOGWGQVHYPR-UHFFFAOYSA-N	1	0	363.462	1.953	20	30		FDEDRO
C[C@@H]1C[NH+](CCCCNC(=O)CNC(=O)c2ccc(C#N)cc2)C[C@@H](C)O1	ZINC000164267889	525489447	/nfs/dbraw/zinc/48/94/47/525489447.db2.gz	PYUZVQZXFUDDRB-HZPDHXFCSA-N	1	0	372.469	1.294	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2NS(C)(=O)=O)cc1	ZINC000154341786	525501451	/nfs/dbraw/zinc/50/14/51/525501451.db2.gz	QZDNXZQVMRHCCS-WMZOPIPTSA-N	1	0	364.515	1.844	20	30		FDEDRO
C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H](CCC#N)c2ccccc2)n1	ZINC000128133695	525507348	/nfs/dbraw/zinc/50/73/48/525507348.db2.gz	PRZQQSJHOQFGSD-MRXNPFEDSA-N	1	0	368.441	1.544	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)NC(=O)c2cccs2)c1C#N	ZINC000128157920	525508989	/nfs/dbraw/zinc/50/89/89/525508989.db2.gz	QLGZMLJLFKLNKW-SNVBAGLBSA-N	1	0	360.443	1.252	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccnc3c(C(=O)OCC)cnn32)CC1	ZINC000179229286	525548729	/nfs/dbraw/zinc/54/87/29/525548729.db2.gz	DFGVEFZYZCKWPJ-UHFFFAOYSA-N	1	0	357.414	1.286	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CN(C)CCO1)N(C)Cc1nc(-c2ccccc2)c[nH]1	ZINC000119022032	525611346	/nfs/dbraw/zinc/61/13/46/525611346.db2.gz	LIVQQFKJWGBFJP-MRXNPFEDSA-N	1	0	356.474	1.415	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C#N	ZINC000119037192	525615332	/nfs/dbraw/zinc/61/53/32/525615332.db2.gz	DWEKLHJZZRYIJP-SJORKVTESA-N	1	0	370.453	1.979	20	30		FDEDRO
C=CC1CCN(C(=O)C(=O)Nc2ccnn2C2CC[NH+](CC)CC2)CC1	ZINC000180006810	525651872	/nfs/dbraw/zinc/65/18/72/525651872.db2.gz	QZQRNWHCYKWJKK-UHFFFAOYSA-N	1	0	359.474	1.903	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1	ZINC000154927523	525686326	/nfs/dbraw/zinc/68/63/26/525686326.db2.gz	RBTULFZZOPILCP-SFHVURJKSA-N	1	0	356.470	1.707	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(=O)NC)cc2)CC1	ZINC000106349260	525699498	/nfs/dbraw/zinc/69/94/98/525699498.db2.gz	ISUKTDFAJIOVLB-UHFFFAOYSA-N	1	0	358.442	1.141	20	30		FDEDRO
C[C@@H]([NH2+]CCC(=O)N(C)CCC#N)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000180537024	525719905	/nfs/dbraw/zinc/71/99/05/525719905.db2.gz	ZPCZMQJMBOICMU-CQSZACIVSA-N	1	0	366.487	1.350	20	30		FDEDRO
CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000155196511	525777460	/nfs/dbraw/zinc/77/74/60/525777460.db2.gz	WEICBSCBDJORLT-NSHDSACASA-N	1	0	372.288	1.893	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)Oc3ccccc3C#N)C2)CC1	ZINC000106803961	525792630	/nfs/dbraw/zinc/79/26/30/525792630.db2.gz	WSTNQDSBLRWBMJ-SJLPKXTDSA-N	1	0	356.470	1.564	20	30		FDEDRO
C#CCSCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000181099379	525806587	/nfs/dbraw/zinc/80/65/87/525806587.db2.gz	CSTATIVCDJCAMH-HNNXBMFYSA-N	1	0	368.524	1.725	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1	ZINC000181249297	525825460	/nfs/dbraw/zinc/82/54/60/525825460.db2.gz	QHMMNIJBAMXQEO-UHFFFAOYSA-N	1	0	364.877	1.906	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1	ZINC000131102673	525826756	/nfs/dbraw/zinc/82/67/56/525826756.db2.gz	VZSBIZKPOSODLW-INIZCTEOSA-N	1	0	358.490	1.946	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1	ZINC000119697994	525832553	/nfs/dbraw/zinc/83/25/53/525832553.db2.gz	NTLZGPNFAXVCDL-QGZVFWFLSA-N	1	0	350.488	1.721	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)C[C@H]1CCCCO1	ZINC000171088307	525833234	/nfs/dbraw/zinc/83/32/34/525833234.db2.gz	NRMIWKGIYLGNEQ-GOSISDBHSA-N	1	0	365.499	1.821	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1	ZINC000119704435	525833360	/nfs/dbraw/zinc/83/33/60/525833360.db2.gz	FSRSFEHOWAGVGX-UHFFFAOYSA-N	1	0	371.890	1.679	20	30		FDEDRO
C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CNC(=O)c2ccc(C#N)cc2)C1	ZINC000171112693	525853237	/nfs/dbraw/zinc/85/32/37/525853237.db2.gz	CPXHVHDXZBWHFK-IYBDPMFKSA-N	1	0	356.470	1.772	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1	ZINC000181431673	525853967	/nfs/dbraw/zinc/85/39/67/525853967.db2.gz	FCUMLQHFIDOJMH-ZIAGYGMSSA-N	1	0	358.442	1.864	20	30		FDEDRO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](C)N1CC[NH+](C)CC1	ZINC000171132897	525862733	/nfs/dbraw/zinc/86/27/33/525862733.db2.gz	HIMDTUCSPABWDZ-QFBILLFUSA-N	1	0	358.486	1.714	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000107402705	525885779	/nfs/dbraw/zinc/88/57/79/525885779.db2.gz	KFTWPLHZEFEMIY-UHFFFAOYSA-N	1	0	369.400	1.621	20	30		FDEDRO
N#Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)nc1	ZINC000107454451	525889334	/nfs/dbraw/zinc/88/93/34/525889334.db2.gz	IRJFLSSJKFRBRT-UHFFFAOYSA-N	1	0	363.421	1.903	20	30		FDEDRO
COCC[N@H+](C)CCNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1	ZINC000171211275	525899296	/nfs/dbraw/zinc/89/92/96/525899296.db2.gz	BGGSKQBEZAJMGO-UHFFFAOYSA-N	1	0	363.437	1.107	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](CNC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C1	ZINC000107890341	525927825	/nfs/dbraw/zinc/92/78/25/525927825.db2.gz	YLMSDGLCGINLLL-HNNXBMFYSA-N	1	0	354.458	1.608	20	30		FDEDRO
C[C@H](Sc1nnnn1CC[NH+](C)C)C(=O)N(CCC#N)c1ccccc1	ZINC000108120488	525936271	/nfs/dbraw/zinc/93/62/71/525936271.db2.gz	KLCSGVWYBITQEQ-AWEZNQCLSA-N	1	0	373.486	1.662	20	30		FDEDRO
C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CC(=O)Nc2cccc(C#N)c2)CC1	ZINC000120057867	525947915	/nfs/dbraw/zinc/94/79/15/525947915.db2.gz	LKOPNZKYYCKVJG-ROUUACIJSA-N	1	0	369.513	1.987	20	30		FDEDRO
C[C@@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(C#N)cc1	ZINC000181948377	525993139	/nfs/dbraw/zinc/99/31/39/525993139.db2.gz	RPVVQNHGKVMDBP-RHSMWYFYSA-N	1	0	351.472	1.697	20	30		FDEDRO
N#CCNC(=O)CSc1nnc(CN2CCCCC2)n1-c1ccccc1	ZINC000108659400	526008944	/nfs/dbraw/zinc/00/89/44/526008944.db2.gz	JNEGTVZCSBIZBX-UHFFFAOYSA-N	1	0	370.482	1.985	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1	ZINC000108815015	526028858	/nfs/dbraw/zinc/02/88/58/526028858.db2.gz	JTCMPZPOSMBPHW-OAHLLOKOSA-N	1	0	364.471	1.011	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CS(=O)(=O)NC2CCC(C)CC2)CC1	ZINC000171566032	526038587	/nfs/dbraw/zinc/03/85/87/526038587.db2.gz	CCXGHYWPNYTLSY-UHFFFAOYSA-N	1	0	357.520	1.251	20	30		FDEDRO
C[NH+](C)CCSCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000171607128	526046044	/nfs/dbraw/zinc/04/60/44/526046044.db2.gz	KUIQRYKCBWCDLF-KRWDZBQOSA-N	1	0	364.490	1.829	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCCN(C(=O)OCC)CC2)CC1	ZINC000171607223	526046896	/nfs/dbraw/zinc/04/68/96/526046896.db2.gz	CRBKHYZFVWWJCE-UHFFFAOYSA-N	1	0	352.479	1.901	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)c1C#N	ZINC000133471630	526064607	/nfs/dbraw/zinc/06/46/07/526064607.db2.gz	PQDBVJHPJDBEHM-GFCCVEGCSA-N	1	0	370.388	1.637	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc2c(c1)C(=O)NC2=O)C(C)C	ZINC000120465330	526073026	/nfs/dbraw/zinc/07/30/26/526073026.db2.gz	CTSRVZNAFMEVJD-KRWDZBQOSA-N	1	0	355.438	1.999	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC2CCN(S(=O)(=O)CCC)CC2)CC1	ZINC000171709362	526088629	/nfs/dbraw/zinc/08/86/29/526088629.db2.gz	OGLYYGUVIPPMBX-UHFFFAOYSA-N	1	0	372.535	1.140	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1	ZINC000171721442	526094009	/nfs/dbraw/zinc/09/40/09/526094009.db2.gz	JZEMHSAXXOVAKF-UHFFFAOYSA-N	1	0	366.469	1.917	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(F)cc3nccnc32)c1C#N	ZINC000133809116	526094492	/nfs/dbraw/zinc/09/44/92/526094492.db2.gz	HKASCXQJEVJWCX-UHFFFAOYSA-N	1	0	353.361	1.768	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)CC1	ZINC000171729626	526099102	/nfs/dbraw/zinc/09/91/02/526099102.db2.gz	XXLHXSQECZTLEG-UHFFFAOYSA-N	1	0	362.474	1.398	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NCc1ccc(S(=O)(=O)NCC(C)C)cc1	ZINC000134240070	526136227	/nfs/dbraw/zinc/13/62/27/526136227.db2.gz	VBPOOXKMRTYSHB-ZDUSSCGKSA-N	1	0	356.492	1.060	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N(C)[C@H]3CC[N@@H+](C)C[C@H]3C)cc2C1=O	ZINC000120715668	526162865	/nfs/dbraw/zinc/16/28/65/526162865.db2.gz	UWJOJPCRLFZVLF-DYVFJYSZSA-N	1	0	355.438	1.881	20	30		FDEDRO
CN1CCN(C(=O)CC2CC[NH+](CCOc3cccc(C#N)c3)CC2)CC1	ZINC000109789002	526183973	/nfs/dbraw/zinc/18/39/73/526183973.db2.gz	CPIQOJXCRQIXDL-UHFFFAOYSA-N	1	0	370.497	1.813	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2CCC[N@H+]2CCOC)cc1	ZINC000110091022	526220116	/nfs/dbraw/zinc/22/01/16/526220116.db2.gz	FTSUSVQWWDTPKJ-QGZVFWFLSA-N	1	0	360.458	1.835	20	30		FDEDRO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCC[C@H](CO)C2)CC1	ZINC000182622437	535835612	/nfs/dbraw/zinc/83/56/12/535835612.db2.gz	PAFDZKLGPMOOPX-HOTGVXAUSA-N	1	0	362.499	1.161	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)NC[C@@H](C)C#N)CC1	ZINC000182844072	535873394	/nfs/dbraw/zinc/87/33/94/535873394.db2.gz	VOPRXUOEUMMEDZ-HNNXBMFYSA-N	1	0	351.495	1.416	20	30		FDEDRO
CC[C@H]([NH2+]CC(=O)N(CC)C[C@H](C)C#N)c1cccc(S(N)(=O)=O)c1	ZINC000183015184	535904602	/nfs/dbraw/zinc/90/46/02/535904602.db2.gz	ZLNCZPHOUUDMED-CJNGLKHVSA-N	1	0	366.487	1.383	20	30		FDEDRO
COCCC[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000183167337	535932686	/nfs/dbraw/zinc/93/26/86/535932686.db2.gz	SVEWVCTXPFGJAC-HNNXBMFYSA-N	1	0	350.488	1.425	20	30		FDEDRO
CNC(=O)[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)C(C)C	ZINC000183663131	536025327	/nfs/dbraw/zinc/02/53/27/536025327.db2.gz	NPVYTKPDTPCOAT-INIZCTEOSA-N	1	0	350.850	1.947	20	30		FDEDRO
C[C@H]1CCCN1S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000184939554	536192715	/nfs/dbraw/zinc/19/27/15/536192715.db2.gz	BGDIZDADCHHIHD-HNNXBMFYSA-N	1	0	350.488	1.651	20	30		FDEDRO
Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCc1cccc(C#N)c1	ZINC000186616919	536238622	/nfs/dbraw/zinc/23/86/22/536238622.db2.gz	SYBMEMBVWFODKW-UHFFFAOYSA-N	1	0	361.471	1.412	20	30		FDEDRO
C#CCSCCNC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000187226535	536258236	/nfs/dbraw/zinc/25/82/36/536258236.db2.gz	WWMPEWFRUJRLEK-IBGZPJMESA-N	1	0	361.511	1.631	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)CC2(O)CCCCCC2)CC1	ZINC000187327733	536262256	/nfs/dbraw/zinc/26/22/56/536262256.db2.gz	FUDVYNIIDZFSRW-GOSISDBHSA-N	1	0	364.534	1.696	20	30		FDEDRO
CC[C@]1(CO)CCC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1	ZINC000187545529	536268973	/nfs/dbraw/zinc/26/89/73/536268973.db2.gz	XJHPUUBESZNYRV-HKUYNNGSSA-N	1	0	350.507	1.163	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)CN2CC[N@H+](CCO)[C@@H](C)C2)c(OC)c1	ZINC000187700553	536271952	/nfs/dbraw/zinc/27/19/52/536271952.db2.gz	WSLDVBUWWVEZHN-WMZOPIPTSA-N	1	0	364.486	1.162	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)NCCCC[NH+]1CCC(C(N)=O)CC1	ZINC000188092561	536282578	/nfs/dbraw/zinc/28/25/78/536282578.db2.gz	FHICVUIMKWFGFG-UHFFFAOYSA-N	1	0	372.469	1.798	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)CN1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1	ZINC000246242827	536908982	/nfs/dbraw/zinc/90/89/82/536908982.db2.gz	DKPZEAUDHLBTBS-YZGWKJHDSA-N	1	0	362.514	1.932	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000266629165	536911277	/nfs/dbraw/zinc/91/12/77/536911277.db2.gz	JTGSOIQCLALWIT-HNNXBMFYSA-N	1	0	373.428	1.721	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=NOCC(=O)NCc2ccc(C#N)cc2)cc1	ZINC000267019182	536949105	/nfs/dbraw/zinc/94/91/05/536949105.db2.gz	PWLXBTRDELGQKN-UHFFFAOYSA-N	1	0	365.437	1.573	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1	ZINC000267397904	536976108	/nfs/dbraw/zinc/97/61/08/536976108.db2.gz	IKPXCFKHWATTSH-GJZGRUSLSA-N	1	0	361.417	1.765	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1	ZINC000189123480	537001600	/nfs/dbraw/zinc/00/16/00/537001600.db2.gz	XLQCZUNNVMYUBX-MRXNPFEDSA-N	1	0	371.485	1.775	20	30		FDEDRO
CCOC(=O)[C@H]1CCCN(C(NCc2nnc3n2CCCCC3)=[NH+]C)C1	ZINC000263273731	537006344	/nfs/dbraw/zinc/00/63/44/537006344.db2.gz	XPPHMXNNWJTWJU-AWEZNQCLSA-N	1	0	362.478	1.355	20	30		FDEDRO
C=CCNc1ncc(C(=O)NCCC[NH+]2CCC(C(=O)OC)CC2)s1	ZINC000269337205	537020550	/nfs/dbraw/zinc/02/05/50/537020550.db2.gz	ZWTNTLFQQKDNCH-UHFFFAOYSA-N	1	0	366.487	1.746	20	30		FDEDRO
C[C@H]1C(=O)NCCCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000189326235	537028315	/nfs/dbraw/zinc/02/83/15/537028315.db2.gz	CRVBDDBHTJTSEQ-ZDUSSCGKSA-N	1	0	367.371	1.384	20	30		FDEDRO
CCCN1CCCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1=O	ZINC000189382720	537036700	/nfs/dbraw/zinc/03/67/00/537036700.db2.gz	KDARDFRGRVLZOX-SFHVURJKSA-N	1	0	354.454	1.998	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1	ZINC000263698376	537069697	/nfs/dbraw/zinc/06/96/97/537069697.db2.gz	LCXNTFOGSIXMHA-QWHCGFSZSA-N	1	0	354.451	1.233	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCCC[C@H]1CN1CCOCC1	ZINC000247543211	537131479	/nfs/dbraw/zinc/13/14/79/537131479.db2.gz	PHJOBNMWFIFVNX-ROUUACIJSA-N	1	0	362.518	1.904	20	30		FDEDRO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1	ZINC000247560131	537134325	/nfs/dbraw/zinc/13/43/25/537134325.db2.gz	FWYLSPAWUZGMMG-HZSPNIEDSA-N	1	0	364.877	1.926	20	30		FDEDRO
CC[C@H]1CN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1CCOC	ZINC000247769459	537148976	/nfs/dbraw/zinc/14/89/76/537148976.db2.gz	OSXMCRRDZSHAIY-HKUYNNGSSA-N	1	0	356.470	1.706	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(CCO)Cc2cc(OC)ccc2OC)CC1	ZINC000264931299	537150305	/nfs/dbraw/zinc/15/03/05/537150305.db2.gz	NRNFNMKIUYDMCM-UHFFFAOYSA-N	1	0	360.454	1.370	20	30		FDEDRO
C[C@H](CN(C)C(=O)OC(C)(C)C)C(=[NH2+])NOC=C(O)c1cccn1C	ZINC000264964862	537150518	/nfs/dbraw/zinc/15/05/18/537150518.db2.gz	XUHUTIJRAKWBIT-GFCCVEGCSA-N	1	0	352.435	2.000	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1	ZINC000248368264	537174129	/nfs/dbraw/zinc/17/41/29/537174129.db2.gz	UZUYQUQFQNEFQE-SJORKVTESA-N	1	0	356.470	1.889	20	30		FDEDRO
C[NH+]1CCC(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CC1	ZINC000266147892	537190190	/nfs/dbraw/zinc/19/01/90/537190190.db2.gz	NECNLRQGQLRQEZ-UHFFFAOYSA-N	1	0	366.469	1.717	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@H]1CO	ZINC000190909517	537190952	/nfs/dbraw/zinc/19/09/52/537190952.db2.gz	MECSZCMKUBBQRN-HIFRSBDPSA-N	1	0	354.372	1.733	20	30		FDEDRO
N#CC1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCOCC1	ZINC000190976432	537193320	/nfs/dbraw/zinc/19/33/20/537193320.db2.gz	CEFQNUAPKUZVAJ-GOSISDBHSA-N	1	0	357.454	1.714	20	30		FDEDRO
CCC1(CC)[C@H]([NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C[C@H]1OC	ZINC000191374926	537204335	/nfs/dbraw/zinc/20/43/35/537204335.db2.gz	NUSJIKVDMZNBRL-RCCFBDPRSA-N	1	0	364.534	1.862	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1	ZINC000193634384	537253187	/nfs/dbraw/zinc/25/31/87/537253187.db2.gz	RRLIDLFJUGXPOJ-ZACQAIPSSA-N	1	0	356.470	1.824	20	30		FDEDRO
CN1CC[NH+](CC2CCN(C(=O)c3ccccc3OCC#N)CC2)CC1	ZINC000193976117	537257680	/nfs/dbraw/zinc/25/76/80/537257680.db2.gz	FZRFXMBFVPRLLN-UHFFFAOYSA-N	1	0	356.470	1.689	20	30		FDEDRO
C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000194146812	537259262	/nfs/dbraw/zinc/25/92/62/537259262.db2.gz	IPYKKHPTTXCJDD-MRXNPFEDSA-N	1	0	356.474	1.659	20	30		FDEDRO
C=CCn1c(-c2ccc(C)o2)nnc1N1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000282209325	537261625	/nfs/dbraw/zinc/26/16/25/537261625.db2.gz	HPPLWWCJUVNQAB-UHFFFAOYSA-N	1	0	372.473	1.633	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CNS(=O)(=O)c2ccc(C)cc2)CC1	ZINC000290138041	537265703	/nfs/dbraw/zinc/26/57/03/537265703.db2.gz	BHCZITKSXKYASO-UHFFFAOYSA-N	1	0	365.499	1.430	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)N1CCNC(=O)C1)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000363702863	537288090	/nfs/dbraw/zinc/28/80/90/537288090.db2.gz	FARHXEQOTAWBRO-OAHLLOKOSA-N	1	0	362.433	1.834	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1	ZINC000363712140	537293324	/nfs/dbraw/zinc/29/33/24/537293324.db2.gz	NTIIEVBNDGHXBJ-CQSZACIVSA-N	1	0	372.404	1.725	20	30		FDEDRO
CN(C)c1noc(C2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)n1	ZINC000363741093	537300222	/nfs/dbraw/zinc/30/02/22/537300222.db2.gz	YTKNIOZWFPYPSS-MRXNPFEDSA-N	1	0	371.441	1.627	20	30		FDEDRO
CC(C)C[NH+]1CCN(CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1	ZINC000298757634	537304354	/nfs/dbraw/zinc/30/43/54/537304354.db2.gz	YUJSJXYNZGQLSM-INIZCTEOSA-N	1	0	367.453	1.785	20	30		FDEDRO
C#Cc1ccc(C[NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)cc1	ZINC000290307552	537318478	/nfs/dbraw/zinc/31/84/78/537318478.db2.gz	ILIGHZHNBZGURA-UHFFFAOYSA-N	1	0	358.467	1.344	20	30		FDEDRO
CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N(C)Cc1ccc(C#N)cc1	ZINC000298800025	537322558	/nfs/dbraw/zinc/32/25/58/537322558.db2.gz	XBGBBIYGBZSAFQ-UHFFFAOYSA-N	1	0	356.470	1.851	20	30		FDEDRO
COc1cccc([C@H](CNC(=O)C(=O)Nc2ccc(C#N)cn2)[NH+](C)C)c1	ZINC000293090060	537336317	/nfs/dbraw/zinc/33/63/17/537336317.db2.gz	RAPMHINBUMUTOA-INIZCTEOSA-N	1	0	367.409	1.319	20	30		FDEDRO
C[C@H](CNS(=O)(=O)N(C)C[C@H](C)C#N)[N@@H+]1CCc2ccccc2C1	ZINC000282898602	537343978	/nfs/dbraw/zinc/34/39/78/537343978.db2.gz	REEMCHDHGFUDAB-HUUCEWRRSA-N	1	0	350.488	1.359	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc(C#N)cc(N(C)C)c1	ZINC000293112742	537350045	/nfs/dbraw/zinc/35/00/45/537350045.db2.gz	QZXBETPVKKRRFX-SFHVURJKSA-N	1	0	371.485	1.297	20	30		FDEDRO
CN(C)c1cccnc1CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000290452132	537354061	/nfs/dbraw/zinc/35/40/61/537354061.db2.gz	CSESGIZRZJMPCO-UHFFFAOYSA-N	1	0	362.478	1.515	20	30		FDEDRO
CS(=O)(=O)C1(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CC1	ZINC000279976661	537360765	/nfs/dbraw/zinc/36/07/65/537360765.db2.gz	KHWVNNLNHOLQFP-UHFFFAOYSA-N	1	0	351.350	1.889	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N(C)Cc2cccc(C#N)c2)C1	ZINC000285990119	537395821	/nfs/dbraw/zinc/39/58/21/537395821.db2.gz	ROLPSDSQBTULSZ-GOSISDBHSA-N	1	0	356.470	1.753	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(-c2nnc(C)o2)c1	ZINC000293247041	537398970	/nfs/dbraw/zinc/39/89/70/537398970.db2.gz	DGKGVHSQKNBSBC-UHFFFAOYSA-N	1	0	355.398	1.055	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(SC(F)F)nc1	ZINC000293247073	537399074	/nfs/dbraw/zinc/39/90/74/537399074.db2.gz	DGUSTHMYWITINL-UHFFFAOYSA-N	1	0	356.398	1.406	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)C[NH+](C)C	ZINC000293246829	537400370	/nfs/dbraw/zinc/40/03/70/537400370.db2.gz	RUGICTOJJMGTTR-JTQLQIEISA-N	1	0	354.357	1.412	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(OC)c(OC(C)C)c1	ZINC000293289127	537408591	/nfs/dbraw/zinc/40/85/91/537408591.db2.gz	GQNYETKDZPKIPI-UHFFFAOYSA-N	1	0	361.442	1.492	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)C[NH+](C)C	ZINC000293289089	537409080	/nfs/dbraw/zinc/40/90/80/537409080.db2.gz	VRRWTPFVIFPIIB-SNVBAGLBSA-N	1	0	367.247	1.573	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(Cl)c1N(C)C	ZINC000293302292	537412285	/nfs/dbraw/zinc/41/22/85/537412285.db2.gz	HOMCNMVNXWPUHI-UHFFFAOYSA-N	1	0	350.850	1.416	20	30		FDEDRO
C[C@H](C#N)CN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F	ZINC000299087406	537435550	/nfs/dbraw/zinc/43/55/50/537435550.db2.gz	KLLJNJYYHYWVOA-CYBMUJFWSA-N	1	0	366.412	1.473	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000299128033	537449936	/nfs/dbraw/zinc/44/99/36/537449936.db2.gz	YNYWRDJQNYXCLL-ROUUACIJSA-N	1	0	366.469	1.893	20	30		FDEDRO
COCCOCCON=C(N)CCN1CC[NH+](Cc2ccccc2)CC1	ZINC000273590675	537473861	/nfs/dbraw/zinc/47/38/61/537473861.db2.gz	SOLJMNLPCALTIX-UHFFFAOYSA-N	1	0	364.490	1.146	20	30		FDEDRO
N#CCCCS(=O)(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1	ZINC000271723417	537486715	/nfs/dbraw/zinc/48/67/15/537486715.db2.gz	RTMCZCSTDVUWEP-UHFFFAOYSA-N	1	0	365.499	1.927	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1	ZINC000365338478	537487228	/nfs/dbraw/zinc/48/72/28/537487228.db2.gz	HCRCBUADYPAELS-FUHWJXTLSA-N	1	0	356.470	1.564	20	30		FDEDRO
CC(C)(CNC(=O)C(=O)NCCCCC#N)[N@@H+]1CCc2ccccc2C1	ZINC000284722901	537492898	/nfs/dbraw/zinc/49/28/98/537492898.db2.gz	YJXOFUUUDKLJMH-UHFFFAOYSA-N	1	0	356.470	1.750	20	30		FDEDRO
C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCn3ncc(C(N)=O)c3C2)cc1	ZINC000281177438	537507074	/nfs/dbraw/zinc/50/70/74/537507074.db2.gz	QIPSLYCXYAVMJQ-CABCVRRESA-N	1	0	352.438	1.907	20	30		FDEDRO
N#Cc1cc(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)cnc1C(F)(F)F	ZINC000293548403	537510304	/nfs/dbraw/zinc/51/03/04/537510304.db2.gz	YNZCOICBVKTKRN-GFCCVEGCSA-N	1	0	369.347	1.042	20	30		FDEDRO
C#CCC[NH+]1CCN(C[C@H](O)COc2ccc(CC=C)cc2OC)CC1	ZINC000272006842	537518369	/nfs/dbraw/zinc/51/83/69/537518369.db2.gz	JFHLNYGPOYQJEO-IBGZPJMESA-N	1	0	358.482	1.804	20	30		FDEDRO
C#CCC(C)(C)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1	ZINC000274313503	537524599	/nfs/dbraw/zinc/52/45/99/537524599.db2.gz	BGHKRXHVYPDTCU-UHFFFAOYSA-N	1	0	351.472	1.515	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2cccc(N3CCOCC3)n2)CC1	ZINC000274873747	537533602	/nfs/dbraw/zinc/53/36/02/537533602.db2.gz	XWLRINOMVHWBGU-UHFFFAOYSA-N	1	0	359.474	1.368	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)nn1CCC#N	ZINC000275725534	537559137	/nfs/dbraw/zinc/55/91/37/537559137.db2.gz	OKPISHGMKWJPGO-MRXNPFEDSA-N	1	0	372.473	1.521	20	30		FDEDRO
CN(C)C(NCc1ccccc1)=[NH+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O	ZINC000365692926	537573371	/nfs/dbraw/zinc/57/33/71/537573371.db2.gz	WQYPNTXETYDPLD-HNAYVOBHSA-N	1	0	357.458	1.414	20	30		FDEDRO
COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1cccc(C#N)c1	ZINC000289517170	537574684	/nfs/dbraw/zinc/57/46/84/537574684.db2.gz	LDWYUYDEJLCWCN-UHFFFAOYSA-N	1	0	365.499	1.821	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1	ZINC000299433181	537577804	/nfs/dbraw/zinc/57/78/04/537577804.db2.gz	BGOBPODPZLGLJF-UONOGXRCSA-N	1	0	358.442	1.742	20	30		FDEDRO
[NH2+]=C(NCCS(=O)(=O)NCC1CCC1)N[C@H]1CCOc2ccccc21	ZINC000304756164	537598615	/nfs/dbraw/zinc/59/86/15/537598615.db2.gz	NLNFAYRFDPBPPT-HNNXBMFYSA-N	1	0	366.487	1.134	20	30		FDEDRO
C[C@@H]1C[C@H](C)C[N@@H+](CCCCNS(=O)(=O)c2cncc(C#N)c2)C1	ZINC000289851837	537604073	/nfs/dbraw/zinc/60/40/73/537604073.db2.gz	PTJLISITWYKAOA-GASCZTMLSA-N	1	0	350.488	1.990	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CCC(=O)c1ccc2c(c1)CCC(=O)N2	ZINC000293848490	537609687	/nfs/dbraw/zinc/60/96/87/537609687.db2.gz	AIAKQROKIGLQFS-UHFFFAOYSA-N	1	0	355.438	1.606	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)CC1	ZINC000363554239	537612621	/nfs/dbraw/zinc/61/26/21/537612621.db2.gz	DAMULUMOMPJXNC-FQEVSTJZSA-N	1	0	367.493	1.824	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C[NH2+]C)C2)c1	ZINC000237203239	537617590	/nfs/dbraw/zinc/61/75/90/537617590.db2.gz	IUTVVJCARFRNCZ-AWEZNQCLSA-N	1	0	351.472	1.223	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](c2ccccc2)[C@@H]2CCCO2)CC1	ZINC000285123518	537620735	/nfs/dbraw/zinc/62/07/35/537620735.db2.gz	NXNHXBCWCOWTRE-OALUTQOASA-N	1	0	371.481	1.790	20	30		FDEDRO
CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)cc1	ZINC000237329736	537623401	/nfs/dbraw/zinc/62/34/01/537623401.db2.gz	PIXGBRQBIUDMLB-UHFFFAOYSA-N	1	0	369.450	1.545	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1nccn2c(Br)cnc12	ZINC000293971167	537632591	/nfs/dbraw/zinc/63/25/91/537632591.db2.gz	MAPOJCPXGHJDHJ-UHFFFAOYSA-N	1	0	350.220	1.177	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnc2[nH]c(=O)[nH]c2c1	ZINC000291594980	537637243	/nfs/dbraw/zinc/63/72/43/537637243.db2.gz	WPRXSCUUWWAMJA-UHFFFAOYSA-N	1	0	364.409	1.327	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C[NH3+])C2CCCCC2)c1	ZINC000237817198	537641747	/nfs/dbraw/zinc/64/17/47/537641747.db2.gz	HWMCBBZWVKLEPR-QGZVFWFLSA-N	1	0	365.499	1.788	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1nnn(-c2cccc3cnccc32)c1C	ZINC000294048820	537646984	/nfs/dbraw/zinc/64/69/84/537646984.db2.gz	UBGADPLWEVNOTC-UHFFFAOYSA-N	1	0	362.437	1.809	20	30		FDEDRO
C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NCC1(O)CC[NH+](C)CC1)C2=O	ZINC000330029147	537650436	/nfs/dbraw/zinc/65/04/36/537650436.db2.gz	POMYXLJJDGYKEY-ACJLOTCBSA-N	1	0	366.462	1.105	20	30		FDEDRO
CN(C)c1ncn(-c2cccc(NC(=O)N3CC[NH+](CC4CC4)CC3)c2)n1	ZINC000330224215	537652329	/nfs/dbraw/zinc/65/23/29/537652329.db2.gz	APURPPVTXQWKQP-UHFFFAOYSA-N	1	0	369.473	1.906	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1	ZINC000330421427	537656431	/nfs/dbraw/zinc/65/64/31/537656431.db2.gz	RPRBOGYPWKEHTN-BFYDXBDKSA-N	1	0	350.488	1.890	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F	ZINC000294095026	537656985	/nfs/dbraw/zinc/65/69/85/537656985.db2.gz	XTTKBNUWEWPACR-CQSZACIVSA-N	1	0	363.405	1.663	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000330513598	537658088	/nfs/dbraw/zinc/65/80/88/537658088.db2.gz	CTRSWZURMNITHF-SOAMZJECSA-N	1	0	363.550	1.387	20	30		FDEDRO
CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1	ZINC000330751943	537660708	/nfs/dbraw/zinc/66/07/08/537660708.db2.gz	CAYXVAFLNKQPIM-LSDHHAIUSA-N	1	0	360.524	1.179	20	30		FDEDRO
Cc1oc(NC(=O)CN2CCC(C(=O)N3CCOCC3)CC2)c(C#N)c1C	ZINC000294232499	537677181	/nfs/dbraw/zinc/67/71/81/537677181.db2.gz	MKYCSXZAVLPYJY-UHFFFAOYSA-N	1	0	374.441	1.277	20	30		FDEDRO
Cn1nnnc1N1CCC([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1	ZINC000375843290	537783383	/nfs/dbraw/zinc/78/33/83/537783383.db2.gz	XVQIYCBNZSDRJG-UHFFFAOYSA-N	1	0	366.473	1.309	20	30		FDEDRO
C=CCC[C@@H](O)C[N@H+]1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000375897781	537791203	/nfs/dbraw/zinc/79/12/03/537791203.db2.gz	LOPGFGQZPGSKOZ-DLBZAZTESA-N	1	0	353.507	1.941	20	30		FDEDRO
CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1	ZINC000407991416	537813714	/nfs/dbraw/zinc/81/37/14/537813714.db2.gz	VBLZEVJKHDTFAF-DGCLKSJQSA-N	1	0	353.410	1.967	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)o1	ZINC000414463800	537815976	/nfs/dbraw/zinc/81/59/76/537815976.db2.gz	OLHKHMOJAVSVPS-OAHLLOKOSA-N	1	0	353.444	1.417	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000366701297	537824490	/nfs/dbraw/zinc/82/44/90/537824490.db2.gz	NJGCBGUNEPRUSM-NUJGCVRESA-N	1	0	351.491	1.768	20	30		FDEDRO
C=CCN(Cc1cn(C)c(=O)n(C)c1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000371376427	537828918	/nfs/dbraw/zinc/82/89/18/537828918.db2.gz	YLNKWIOWKPERSI-IBGZPJMESA-N	1	0	368.481	1.347	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1	ZINC000366710171	537829224	/nfs/dbraw/zinc/82/92/24/537829224.db2.gz	OUDBMPMIMIRDAS-KURKYZTESA-N	1	0	350.507	1.389	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N(C)C1CC[NH+](CC(=O)N2CCCC2)CC1)OCC	ZINC000366766446	537851554	/nfs/dbraw/zinc/85/15/54/537851554.db2.gz	IGMTZTSFUCWPBD-GOSISDBHSA-N	1	0	365.518	1.903	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000409517291	537857893	/nfs/dbraw/zinc/85/78/93/537857893.db2.gz	ZHOHQROXDIJLSX-WMZOPIPTSA-N	1	0	364.515	1.967	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000409517537	537858874	/nfs/dbraw/zinc/85/88/74/537858874.db2.gz	KIMXHKGIAQZUEH-JKSUJKDBSA-N	1	0	372.535	1.336	20	30		FDEDRO
N#CCC1(CNC(=O)C(=O)Nc2cnn(CC[NH+]3CCCCC3)c2)CC1	ZINC000366796095	537862758	/nfs/dbraw/zinc/86/27/58/537862758.db2.gz	CCAGMJNCJXPOFD-UHFFFAOYSA-N	1	0	358.446	1.118	20	30		FDEDRO
C[C@@H](CNS(=O)(=O)c1cc(Br)ccc1C#N)C[NH+](C)C	ZINC000416484152	537867656	/nfs/dbraw/zinc/86/76/56/537867656.db2.gz	QTWUYRUAMCAHGM-JTQLQIEISA-N	1	0	360.277	1.797	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)cc1	ZINC000411970665	537915341	/nfs/dbraw/zinc/91/53/41/537915341.db2.gz	NPPBYPWYJUZTJR-GHTZIAJQSA-N	1	0	365.433	1.427	20	30		FDEDRO
CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1	ZINC000414829772	537923375	/nfs/dbraw/zinc/92/33/75/537923375.db2.gz	NEEKWMHSRDSIGG-CQSZACIVSA-N	1	0	357.458	1.807	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H]([NH3+])C(C)C)cc1	ZINC000414903405	537934137	/nfs/dbraw/zinc/93/41/37/537934137.db2.gz	ZOGUHWMVPBPHGU-HNNXBMFYSA-N	1	0	354.476	1.598	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)C1CC[NH+](C2CCOCC2)CC1	ZINC000367134805	537949174	/nfs/dbraw/zinc/94/91/74/537949174.db2.gz	CERWAOKFBUZCLD-HNNXBMFYSA-N	1	0	372.535	1.288	20	30		FDEDRO
O=S1(=O)CC[C@@H]([NH2+]C2CCN(CC#Cc3cccc(Cl)c3)CC2)C1	ZINC000368423458	537979917	/nfs/dbraw/zinc/97/99/17/537979917.db2.gz	WZJRTGUOELRBNJ-GOSISDBHSA-N	1	0	366.914	1.933	20	30		FDEDRO
C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000415286207	537991028	/nfs/dbraw/zinc/99/10/28/537991028.db2.gz	SSEUWSHXUUPEJY-LLVKDONJSA-N	1	0	368.359	1.974	20	30		FDEDRO
C[C@H](NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H]1CCC[NH2+]C1	ZINC000415347460	538018086	/nfs/dbraw/zinc/01/80/86/538018086.db2.gz	DKXALHOQKGRNDW-CMPLNLGQSA-N	1	0	366.368	1.602	20	30		FDEDRO
N#Cc1cc(C(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)ccn1	ZINC000412774253	538018145	/nfs/dbraw/zinc/01/81/45/538018145.db2.gz	OVEINMLMESVNLP-UHFFFAOYSA-N	1	0	350.422	1.710	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)ccc1OC(F)(F)F	ZINC000415358056	538023343	/nfs/dbraw/zinc/02/33/43/538023343.db2.gz	SWZLFQQRERAEEF-VIFPVBQESA-N	1	0	356.304	1.203	20	30		FDEDRO
CCCc1c(NC(=O)C(=O)NCC[C@H](C)[NH3+])cnn1-c1cccc(C#N)c1	ZINC000415360905	538024676	/nfs/dbraw/zinc/02/46/76/538024676.db2.gz	MVMZONAMIDGRNF-ZDUSSCGKSA-N	1	0	368.441	1.488	20	30		FDEDRO
C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1	ZINC000415393905	538027532	/nfs/dbraw/zinc/02/75/32/538027532.db2.gz	LLMGYOXTLRFCQI-SNVBAGLBSA-N	1	0	370.331	1.463	20	30		FDEDRO
COCC[NH2+]CCNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1	ZINC000415454607	538058765	/nfs/dbraw/zinc/05/87/65/538058765.db2.gz	JGYWTOPHAJACCG-UHFFFAOYSA-N	1	0	362.821	1.755	20	30		FDEDRO
C[C@]1(CNC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CCC[NH2+]C1	ZINC000415589973	538079994	/nfs/dbraw/zinc/07/99/94/538079994.db2.gz	ZMVAJHVMPZCTMC-KRWDZBQOSA-N	1	0	366.368	1.604	20	30		FDEDRO
C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1	ZINC000419636092	538088395	/nfs/dbraw/zinc/08/83/95/538088395.db2.gz	JKGWRRIHAYJOKR-OAHLLOKOSA-N	1	0	362.433	1.662	20	30		FDEDRO
N#Cc1cccc(OC2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]C3)CC2)c1	ZINC000419867885	538124079	/nfs/dbraw/zinc/12/40/79/538124079.db2.gz	VFOKHWUOEAYYDP-INIZCTEOSA-N	1	0	370.453	1.044	20	30		FDEDRO
C[C@H]([NH2+]C1(CNC(=O)Cn2cnc(C#N)n2)CCOCC1)c1ccccc1	ZINC000426761689	538129842	/nfs/dbraw/zinc/12/98/42/538129842.db2.gz	COFFVPSWTKGYDK-HNNXBMFYSA-N	1	0	368.441	1.166	20	30		FDEDRO
Cn1c(C#N)ccc1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO	ZINC000450522062	538139341	/nfs/dbraw/zinc/13/93/41/538139341.db2.gz	WDPMSOGGNNKKPS-GOSISDBHSA-N	1	0	352.438	1.783	20	30		FDEDRO
CNS(=O)(=O)c1cccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c1	ZINC000444380958	538156816	/nfs/dbraw/zinc/15/68/16/538156816.db2.gz	GRTXYYWCFLLMDQ-UHFFFAOYSA-N	1	0	367.475	1.294	20	30		FDEDRO
CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000419973590	538172263	/nfs/dbraw/zinc/17/22/63/538172263.db2.gz	JJXIMJBLUCWTBZ-KRWDZBQOSA-N	1	0	358.442	1.028	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000432852624	538180046	/nfs/dbraw/zinc/18/00/46/538180046.db2.gz	GOXGAVUIYUFILJ-LLVKDONJSA-N	1	0	358.261	1.693	20	30		FDEDRO
N#CCCn1cc(C[NH2+]CC2(CO)CCOCC2)c(-c2ccncc2)n1	ZINC000433331480	538225572	/nfs/dbraw/zinc/22/55/72/538225572.db2.gz	MWIHJANVAUHWNR-UHFFFAOYSA-N	1	0	355.442	1.737	20	30		FDEDRO
CN1CCN(C)[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1	ZINC000433332036	538226396	/nfs/dbraw/zinc/22/63/96/538226396.db2.gz	RIQYDBGZNGDCDE-SFHVURJKSA-N	1	0	353.474	1.194	20	30		FDEDRO
CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)[C@H]([NH3+])CCCC#N	ZINC000424091385	538232181	/nfs/dbraw/zinc/23/21/81/538232181.db2.gz	MORNWWRIXTUHHG-UKRRQHHQSA-N	1	0	373.375	1.925	20	30		FDEDRO
CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)[C@H]([NH3+])CCCC#N	ZINC000424114003	538237537	/nfs/dbraw/zinc/23/75/37/538237537.db2.gz	PBYRYNMTVFAANM-MRXNPFEDSA-N	1	0	366.487	1.152	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1	ZINC000424116426	538239134	/nfs/dbraw/zinc/23/91/34/538239134.db2.gz	BMNOYLFKSXDPCB-CYBMUJFWSA-N	1	0	354.407	1.226	20	30		FDEDRO
CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCCC#N)C1	ZINC000424119016	538239471	/nfs/dbraw/zinc/23/94/71/538239471.db2.gz	DBWBSXCRMTWWAR-OLZOCXBDSA-N	1	0	362.396	1.657	20	30		FDEDRO
COc1ccc(Cl)cc1NC(=O)CCNC(=O)[C@H]([NH3+])CCCC#N	ZINC000424126422	538242862	/nfs/dbraw/zinc/24/28/62/538242862.db2.gz	TUFGQXYRFRUCGL-GFCCVEGCSA-N	1	0	352.822	1.815	20	30		FDEDRO
CC(=O)N1CCN(Cc2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc2)CC1	ZINC000424177495	538248627	/nfs/dbraw/zinc/24/86/27/538248627.db2.gz	UTEBMBCPMATILU-GOSISDBHSA-N	1	0	357.458	1.310	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(OC)c(OCC(N)=O)c(OC)c1	ZINC000424177583	538249408	/nfs/dbraw/zinc/24/94/08/538249408.db2.gz	USRKCAXQWNSOPK-KBPBESRZSA-N	1	0	350.415	1.249	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1	ZINC000420182872	538251631	/nfs/dbraw/zinc/25/16/31/538251631.db2.gz	FXDSSGGFRNSIAW-GFCCVEGCSA-N	1	0	371.890	1.411	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1	ZINC000424192932	538252641	/nfs/dbraw/zinc/25/26/41/538252641.db2.gz	QEEOEQPLIQVQNT-INIZCTEOSA-N	1	0	374.876	1.653	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C)C1	ZINC000422406320	538253442	/nfs/dbraw/zinc/25/34/42/538253442.db2.gz	YEWMEOONMGRSDX-KRWDZBQOSA-N	1	0	359.470	1.428	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cccc(C#N)c3Br)[C@@H]2C1	ZINC000451591558	538283079	/nfs/dbraw/zinc/28/30/79/538283079.db2.gz	APAPLBVCOOYNDH-KGLIPLIRSA-N	1	0	364.243	1.866	20	30		FDEDRO
C[NH2+]C1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1	ZINC000420416190	538290555	/nfs/dbraw/zinc/29/05/55/538290555.db2.gz	JGOORCZMCVCMOR-UHFFFAOYSA-N	1	0	358.261	1.693	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccccc1OCCN1CC[NH2+]CC1	ZINC000424418150	538293590	/nfs/dbraw/zinc/29/35/90/538293590.db2.gz	PCNBEZTYAQJQOD-WMZOPIPTSA-N	1	0	374.485	1.683	20	30		FDEDRO
C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1cccc(Br)c1C#N	ZINC000420428791	538293859	/nfs/dbraw/zinc/29/38/59/538293859.db2.gz	LMQNUKPSGZGRMH-BXKDBHETSA-N	1	0	358.261	1.597	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1nc2c(c(=O)[nH]c(=O)n2CCCC)n1C	ZINC000451673015	538296612	/nfs/dbraw/zinc/29/66/12/538296612.db2.gz	JQIMLXIAWINPOF-OLZOCXBDSA-N	1	0	361.446	1.459	20	30		FDEDRO
C=CC[N@H+](C[C@H]1CCS(=O)(=O)C1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000434539234	538329093	/nfs/dbraw/zinc/32/90/93/538329093.db2.gz	FUDXDBWLOHSUJI-LSDHHAIUSA-N	1	0	361.471	1.646	20	30		FDEDRO
N#Cc1cccc(C2(C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)CC2)c1	ZINC000435026959	538377703	/nfs/dbraw/zinc/37/77/03/538377703.db2.gz	OEFAOWPADAKWHY-MRXNPFEDSA-N	1	0	354.454	1.293	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)C2CC2)cc1	ZINC000423577024	538401299	/nfs/dbraw/zinc/40/12/99/538401299.db2.gz	ZPUBTVCIRZMJLH-SJORKVTESA-N	1	0	352.438	1.117	20	30		FDEDRO
C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC1	ZINC000453713385	538419403	/nfs/dbraw/zinc/41/94/03/538419403.db2.gz	JHOIIYOUIXBGBK-UHFFFAOYSA-N	1	0	358.442	1.838	20	30		FDEDRO
N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1	ZINC000426124416	538420894	/nfs/dbraw/zinc/42/08/94/538420894.db2.gz	CWNRCCFMTFSPDS-NSHDSACASA-N	1	0	374.388	1.949	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000460052918	538460075	/nfs/dbraw/zinc/46/00/75/538460075.db2.gz	FOYXDMWYHPFUNO-IRXDYDNUSA-N	1	0	365.518	1.759	20	30		FDEDRO
Cc1cc(C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)ncc1C#N	ZINC000457516785	538496950	/nfs/dbraw/zinc/49/69/50/538496950.db2.gz	QBDGPTDNDXBXLQ-UHFFFAOYSA-N	1	0	365.393	1.984	20	30		FDEDRO
CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)NCCn2cnc(C#N)n2)CC1	ZINC000454953413	538650721	/nfs/dbraw/zinc/65/07/21/538650721.db2.gz	WLKLXUXHMGPJST-UHFFFAOYSA-N	1	0	361.494	1.692	20	30		FDEDRO
C[C@]1(CO)CCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000472611322	538669315	/nfs/dbraw/zinc/66/93/15/538669315.db2.gz	GOEDASREVVRPLG-VQIMIIECSA-N	1	0	353.426	1.823	20	30		FDEDRO
C[C@H]1CN(C(=O)Nc2cnc(C#N)c(Cl)c2)CC[N@@H+]1CC(C)(C)O	ZINC000455758101	538682421	/nfs/dbraw/zinc/68/24/21/538682421.db2.gz	JCJMULNGIZWDQZ-NSHDSACASA-N	1	0	351.838	1.916	20	30		FDEDRO
N#Cc1c(NC(=O)CC[N@H+]2CCC[C@](O)(CO)C2)sc2c1CCCC2	ZINC000459652362	538691028	/nfs/dbraw/zinc/69/10/28/538691028.db2.gz	QJXCQKYDVGVAFZ-GOSISDBHSA-N	1	0	363.483	1.646	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCOCC[NH+](C)C)cc1	ZINC000483562948	538713537	/nfs/dbraw/zinc/71/35/37/538713537.db2.gz	OWHYCBFLTGLJOB-ZDUSSCGKSA-N	1	0	368.459	1.072	20	30		FDEDRO
CCN(C[C@@H](C)C#N)[C@H](C)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2	ZINC000488644529	538752746	/nfs/dbraw/zinc/75/27/46/538752746.db2.gz	LTKNXEKIEVJWHP-QWHCGFSZSA-N	1	0	360.414	1.976	20	30		FDEDRO
CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000503454743	538803978	/nfs/dbraw/zinc/80/39/78/538803978.db2.gz	RTTIUHIVEVVCAL-BRWVUGGUSA-N	1	0	352.548	1.943	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2cnn(C)c2C#N)[C@@H]1c1cnn(C)c1	ZINC000476014948	538854211	/nfs/dbraw/zinc/85/42/11/538854211.db2.gz	UZCXBUHOULRNIB-KBXCAEBGSA-N	1	0	369.473	1.570	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@H]2COc3ccccc32)CC1	ZINC000561412343	545837441	/nfs/dbraw/zinc/83/74/41/545837441.db2.gz	BZOSCEWVVDAMER-WMLDXEAASA-N	1	0	357.454	1.434	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](Cc3ccccc3)C2)CC1	ZINC000561414830	545838608	/nfs/dbraw/zinc/83/86/08/545838608.db2.gz	DRDVSMUFJRPDIC-GOSISDBHSA-N	1	0	355.482	1.844	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(=O)N2CCN(c3cnccc3C#N)CC2)cn1	ZINC000561429163	545847495	/nfs/dbraw/zinc/84/74/95/545847495.db2.gz	JJBAGUICLFOJPV-UHFFFAOYSA-N	1	0	350.426	1.372	20	30		FDEDRO
C[C@@]1(CO)CCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000562092146	546029580	/nfs/dbraw/zinc/02/95/80/546029580.db2.gz	RFPYVDFIVMDPQW-QAPCUYQASA-N	1	0	362.499	1.304	20	30		FDEDRO
Cc1c(Cl)cccc1NC(=O)CC[NH2+]C[C@H](O)CN(C)CCC#N	ZINC000562984614	546340800	/nfs/dbraw/zinc/34/08/00/546340800.db2.gz	DQUVXIJEFDUTGN-AWEZNQCLSA-N	1	0	352.866	1.773	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1	ZINC000563605007	546609501	/nfs/dbraw/zinc/60/95/01/546609501.db2.gz	QWFOANAPNNCBCO-SFHVURJKSA-N	1	0	371.481	1.907	20	30		FDEDRO
C=CCN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)c1nc2c(s1)CCCC2	ZINC000563623335	546620476	/nfs/dbraw/zinc/62/04/76/546620476.db2.gz	QWRPTZQGMOXMKK-CQSZACIVSA-N	1	0	362.499	1.799	20	30		FDEDRO
C[NH+](C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)CC1(C#N)CCC1	ZINC000564333851	546882464	/nfs/dbraw/zinc/88/24/64/546882464.db2.gz	PDRZFJOUIZBEGV-UHFFFAOYSA-N	1	0	359.492	1.215	20	30		FDEDRO
CCC[C@]1([NH2+]CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCOC1	ZINC000564554887	546951593	/nfs/dbraw/zinc/95/15/93/546951593.db2.gz	SCEHLSNOTCJOFW-SFHVURJKSA-N	1	0	361.446	1.052	20	30		FDEDRO
CCOC(=O)CC[C@@H](O)C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000564857477	547070188	/nfs/dbraw/zinc/07/01/88/547070188.db2.gz	TYONRZLAPLKXJM-JKSUJKDBSA-N	1	0	363.433	1.960	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1	ZINC000564863575	547072700	/nfs/dbraw/zinc/07/27/00/547072700.db2.gz	KRVMTTXZWZXLKZ-CYBMUJFWSA-N	1	0	359.879	1.039	20	30		FDEDRO
Cc1ccc(C[C@@H](CO)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1	ZINC000564974093	547136057	/nfs/dbraw/zinc/13/60/57/547136057.db2.gz	CTSBSVDLGRAWPF-KRWDZBQOSA-N	1	0	359.451	1.229	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCN(c2cccc(-n3cccn3)c2C#N)CC1	ZINC000565371404	547323805	/nfs/dbraw/zinc/32/38/05/547323805.db2.gz	GXCWYSJWAKUWDE-UHFFFAOYSA-N	1	0	352.442	1.344	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)CC1	ZINC000565521501	547382074	/nfs/dbraw/zinc/38/20/74/547382074.db2.gz	ZEPALTJXODYWRZ-UKBAYJJMSA-N	1	0	362.518	1.472	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]CCNC(=O)CC2CCCC2)c1	ZINC000566109208	547608082	/nfs/dbraw/zinc/60/80/82/547608082.db2.gz	LIKQIMSPWGWJNF-UHFFFAOYSA-N	1	0	363.483	1.618	20	30		FDEDRO
COc1cccc([C@@H]2C[C@H]2[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)c1	ZINC000566122141	547614814	/nfs/dbraw/zinc/61/48/14/547614814.db2.gz	YPVHSYSEXBKCDI-DLBZAZTESA-N	1	0	357.435	1.881	20	30		FDEDRO
CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)n1)c1ccco1	ZINC000566195743	547653496	/nfs/dbraw/zinc/65/34/96/547653496.db2.gz	MEIVRHRRATVHRO-AWEZNQCLSA-N	1	0	355.398	1.684	20	30		FDEDRO
C[N@@H+](Cc1cnc2c(C#N)cnn2c1)C[C@H](O)COCc1ccccc1	ZINC000566245286	547680675	/nfs/dbraw/zinc/68/06/75/547680675.db2.gz	HFSCNDFLHYBHCB-SFHVURJKSA-N	1	0	351.410	1.610	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000566350240	547725278	/nfs/dbraw/zinc/72/52/78/547725278.db2.gz	HZZLDCQXAYVGAO-KRWDZBQOSA-N	1	0	361.511	1.803	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1cccc(C#N)n1	ZINC000567835182	548280878	/nfs/dbraw/zinc/28/08/78/548280878.db2.gz	DAOIBEFGGKPKIQ-YOEHRIQHSA-N	1	0	363.421	1.528	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@H+](Cc1ccccc1)C[C@@]1(O)CCO[C@H]1C	ZINC000568526448	548573973	/nfs/dbraw/zinc/57/39/73/548573973.db2.gz	PHDADHRUNYOMMD-KXBFYZLASA-N	1	0	361.442	1.040	20	30		FDEDRO
CC[NH+](CC)CCSCC(=O)N1CCN(c2cnccc2C#N)CC1	ZINC000569032347	548773289	/nfs/dbraw/zinc/77/32/89/548773289.db2.gz	LFZOMDHSPGRCJP-UHFFFAOYSA-N	1	0	361.515	1.677	20	30		FDEDRO
CS(=O)(=O)CC1(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCC1	ZINC000569096195	548795507	/nfs/dbraw/zinc/79/55/07/548795507.db2.gz	WCKYKDGCLNKGFY-UHFFFAOYSA-N	1	0	370.496	1.136	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H](CO)Cc2ccccc2)nc1	ZINC000569124258	548805688	/nfs/dbraw/zinc/80/56/88/548805688.db2.gz	ZYMCNSPQRCDPEK-KRWDZBQOSA-N	1	0	359.451	1.168	20	30		FDEDRO
C[NH+](C)[C@H]1CCN(c2ccc(NCc3cnc4c(C#N)cnn4c3)nc2)C1	ZINC000569223519	548841173	/nfs/dbraw/zinc/84/11/73/548841173.db2.gz	YPVBPHXRJWNSPT-KRWDZBQOSA-N	1	0	362.441	1.748	20	30		FDEDRO
CC[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000569433585	548915273	/nfs/dbraw/zinc/91/52/73/548915273.db2.gz	QOHFISIXCQJKSP-ZWKOTPCHSA-N	1	0	369.469	1.395	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000569787793	549046168	/nfs/dbraw/zinc/04/61/68/549046168.db2.gz	VDAXBCMWYPSHTM-CQSZACIVSA-N	1	0	359.474	1.900	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)NCCC3=CC[NH2+]CC3)n2)c(F)c1	ZINC000570144645	549173348	/nfs/dbraw/zinc/17/33/48/549173348.db2.gz	MVYSPUCQXCCGOE-UHFFFAOYSA-N	1	0	354.389	2.314	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]C[C@H]3CC[C@@H](c4nc(C5CC5)no4)O3)cnc12	ZINC000570451984	549285900	/nfs/dbraw/zinc/28/59/00/549285900.db2.gz	ZYWAUBVJEPCGPH-CABCVRRESA-N	1	0	365.397	1.871	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000570679380	549372134	/nfs/dbraw/zinc/37/21/34/549372134.db2.gz	UGVYDBPGCCHALD-ZWKOTPCHSA-N	1	0	371.485	1.021	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CC(=O)N(c3ccccc3)C2)cc1	ZINC000570794587	549413739	/nfs/dbraw/zinc/41/37/39/549413739.db2.gz	ZBSJIMWPZQGUMP-PKOBYXMFSA-N	1	0	365.433	1.887	20	30		FDEDRO
COc1cc(OC)cc(OCC[NH2+]Cc2cnc3c(C#N)cnn3c2)c1	ZINC000571046231	549505892	/nfs/dbraw/zinc/50/58/92/549505892.db2.gz	BIQIAODZBRWILT-UHFFFAOYSA-N	1	0	353.382	1.787	20	30		FDEDRO
N#Cc1ccncc1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1	ZINC000571067895	549514692	/nfs/dbraw/zinc/51/46/92/549514692.db2.gz	QLKDAOLPABPRJQ-UHFFFAOYSA-N	1	0	350.422	1.840	20	30		FDEDRO
Cc1cc(=NC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)[nH]n1CCC#N	ZINC000571146408	549541031	/nfs/dbraw/zinc/54/10/31/549541031.db2.gz	PVDJNULOLVXOCO-UHFFFAOYSA-N	1	0	356.474	2.380	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cc(OC)c(O)c(OC)c2)c1C#N	ZINC000571252634	549579197	/nfs/dbraw/zinc/57/91/97/549579197.db2.gz	YBLMCLXHZCLAKZ-UHFFFAOYSA-N	1	0	373.413	1.337	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](CCOC)c2ccc(C)o2)CC1	ZINC000572489072	549927181	/nfs/dbraw/zinc/92/71/81/549927181.db2.gz	BJOVYTKXPLPBKR-MRXNPFEDSA-N	1	0	363.458	1.548	20	30		FDEDRO
N#Cc1ncn(CC(=O)N2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)n1	ZINC000572731454	549982375	/nfs/dbraw/zinc/98/23/75/549982375.db2.gz	ZOZJPUVTVWGOHT-SJORKVTESA-N	1	0	352.442	1.348	20	30		FDEDRO
C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2cccc(C#N)n2)C1	ZINC000573366982	550121393	/nfs/dbraw/zinc/12/13/93/550121393.db2.gz	ALAHCTJMZFGIHX-ZIAGYGMSSA-N	1	0	357.458	1.764	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c1	ZINC000573557173	550163485	/nfs/dbraw/zinc/16/34/85/550163485.db2.gz	VIUVJNLVVSWQIM-WBVHZDCISA-N	1	0	366.508	1.976	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1	ZINC000573814403	550216292	/nfs/dbraw/zinc/21/62/92/550216292.db2.gz	IPJARMPCOUTTKW-QGZVFWFLSA-N	1	0	370.453	1.519	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)Nc3cccc(C#N)n3)ccn2)CC1	ZINC000574038040	550250273	/nfs/dbraw/zinc/25/02/73/550250273.db2.gz	SBKBCPSIAPNXQW-UHFFFAOYSA-N	1	0	351.414	1.422	20	30		FDEDRO
COc1ccc([C@@H](C[NH+](C)C)NC(=O)C(=O)Nc2cccc(C#N)n2)cc1	ZINC000574451455	550315926	/nfs/dbraw/zinc/31/59/26/550315926.db2.gz	RZSIRSMWVKLYEX-MRXNPFEDSA-N	1	0	367.409	1.319	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)nn1	ZINC000574513618	550326279	/nfs/dbraw/zinc/32/62/79/550326279.db2.gz	ZXOJHQRWSRGGGD-SJPCQFCGSA-N	1	0	358.490	1.237	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+][C@H](CO)Cc2ccc(F)cc2)cc1	ZINC000574519756	550327784	/nfs/dbraw/zinc/32/77/84/550327784.db2.gz	ZZLBEIBPZIKMKK-OALUTQOASA-N	1	0	358.413	1.825	20	30		FDEDRO
CCCc1c(NC(=O)NC[C@@H]2C[NH2+]CCO2)cnn1-c1cccc(C#N)c1	ZINC000575895319	550488160	/nfs/dbraw/zinc/48/81/60/550488160.db2.gz	XCQGBDDGZCKEHO-INIZCTEOSA-N	1	0	368.441	1.806	20	30		FDEDRO
CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC(=O)NCc3cccc(C#N)c3)[C@@H]2C1	ZINC000576142901	550515698	/nfs/dbraw/zinc/51/56/98/550515698.db2.gz	BWHSWNXROMOEOO-IPMKNSEASA-N	1	0	354.454	1.411	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)NCC3([NH3+])CCCCCC3)CC2)n1	ZINC000576212229	550523590	/nfs/dbraw/zinc/52/35/90/550523590.db2.gz	KDXKPZIYQRAWNJ-UHFFFAOYSA-N	1	0	356.474	1.837	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@H](OC)C1)C(C)C	ZINC000577205406	550632071	/nfs/dbraw/zinc/63/20/71/550632071.db2.gz	CRUCVUUNXXZYKB-KZNAEPCWSA-N	1	0	365.518	1.685	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(c2cnccc2C#N)CC1)C[NH+]1CCCC1	ZINC000577327485	550644206	/nfs/dbraw/zinc/64/42/06/550644206.db2.gz	OAGMZKOSMHCTNP-INIZCTEOSA-N	1	0	356.474	1.517	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)Cc2nccn2C(F)F)CC1	ZINC000577374184	550649528	/nfs/dbraw/zinc/64/95/28/550649528.db2.gz	BLBMDNBPUQXIKP-UHFFFAOYSA-N	1	0	369.416	1.393	20	30		FDEDRO
N#Cc1ccc(OC2CCC(NC(=O)NCC3CC[NH2+]CC3)CC2)nc1	ZINC000577474072	550659667	/nfs/dbraw/zinc/65/96/67/550659667.db2.gz	PNOHPGKIAZNTKG-UHFFFAOYSA-N	1	0	357.458	1.942	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)C(=O)NC[C@@H]1CCS(=O)(=O)C1	ZINC000577667023	550681313	/nfs/dbraw/zinc/68/13/13/550681313.db2.gz	WKAYGBXHPRJRPM-RVSPLBMKSA-N	1	0	361.467	1.075	20	30		FDEDRO
COC1(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CCC(C)CC1	ZINC000578232697	550742520	/nfs/dbraw/zinc/74/25/20/550742520.db2.gz	FFFDBAZNJOGUBD-UHFFFAOYSA-N	1	0	351.472	1.912	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c(F)c1	ZINC000578236663	550743037	/nfs/dbraw/zinc/74/30/37/550743037.db2.gz	GZBASAMYUKTYLH-ZBFHGGJFSA-N	1	0	353.419	1.214	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ncc1C#N	ZINC000578246623	550744545	/nfs/dbraw/zinc/74/45/45/550744545.db2.gz	WRLOBELMGCYXTM-LSDHHAIUSA-N	1	0	369.469	1.969	20	30		FDEDRO
C[C@]1(n2cc(C[NH2+]Cc3ccc(CC#N)cc3)cn2)CCS(=O)(=O)C1	ZINC000578357557	550756249	/nfs/dbraw/zinc/75/62/49/550756249.db2.gz	DZRFNDWXEARDBK-SFHVURJKSA-N	1	0	358.467	1.773	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1	ZINC000578753785	550798036	/nfs/dbraw/zinc/79/80/36/550798036.db2.gz	GEMBQXHWLVWAIX-OAHLLOKOSA-N	1	0	364.515	1.822	20	30		FDEDRO
C=CCN(C(=O)CCOC1C[NH2+]C1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000578878768	550811354	/nfs/dbraw/zinc/81/13/54/550811354.db2.gz	BJXIHUVLEGIYNK-AWEZNQCLSA-N	1	0	356.430	1.116	20	30		FDEDRO
C=CCN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000578904865	550814094	/nfs/dbraw/zinc/81/40/94/550814094.db2.gz	SWINYPLPGMPEIF-KRWDZBQOSA-N	1	0	350.484	1.606	20	30		FDEDRO
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NC[C@H]2C[NH2+]CCCO2)n1	ZINC000578967987	550820094	/nfs/dbraw/zinc/82/00/94/550820094.db2.gz	DHYGXSBUKMANGE-CQSZACIVSA-N	1	0	374.832	1.897	20	30		FDEDRO
COC[C@](C)(CC(=O)OC)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000579434075	550872731	/nfs/dbraw/zinc/87/27/31/550872731.db2.gz	MWNTWVHSRYWKFH-LPHOPBHVSA-N	1	0	359.426	1.611	20	30		FDEDRO
N#Cc1cccc(CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1	ZINC000580001920	550932811	/nfs/dbraw/zinc/93/28/11/550932811.db2.gz	AQZDLRZHVVQGEY-MOPGFXCFSA-N	1	0	356.470	1.778	20	30		FDEDRO
N#Cc1cccnc1OC1CCC(NC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1	ZINC000580053018	550937567	/nfs/dbraw/zinc/93/75/67/550937567.db2.gz	PRYVQTYLFSVNSV-VEZWFGLTSA-N	1	0	369.469	1.894	20	30		FDEDRO
C[NH+](C)[C@@]1(CNS(=O)(=O)Cc2ccc(CC#N)cc2)CCSC1	ZINC000580189648	550952922	/nfs/dbraw/zinc/95/29/22/550952922.db2.gz	WCYMFMVNWVTLHA-MRXNPFEDSA-N	1	0	353.513	1.609	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2nnn(Cc3cc(C)no3)c2C)CC1	ZINC000580223699	550956949	/nfs/dbraw/zinc/95/69/49/550956949.db2.gz	WUMDQLLIWZVOOX-UHFFFAOYSA-N	1	0	358.446	1.702	20	30		FDEDRO
CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000580250465	550958882	/nfs/dbraw/zinc/95/88/82/550958882.db2.gz	DTDNNFMFJQTYNZ-LBPRGKRZSA-N	1	0	354.432	1.865	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@H](C)OC(C)(C)C1)C(C)C	ZINC000580338181	550969053	/nfs/dbraw/zinc/96/90/53/550969053.db2.gz	MWDMSIMWKKUVRG-DLBZAZTESA-N	1	0	365.518	1.827	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N2CCN(c3cnccc3C#N)CC2)CCCC1	ZINC000580506579	550988835	/nfs/dbraw/zinc/98/88/35/550988835.db2.gz	WEXOIBHVBWJEDH-UHFFFAOYSA-N	1	0	356.474	1.659	20	30		FDEDRO
N#CCc1ccc(CS(=O)(=O)N[C@H]2CCC[N@@H+](CCCO)C2)cc1	ZINC000580558909	550994949	/nfs/dbraw/zinc/99/49/49/550994949.db2.gz	SBPDCMVZZLKQQF-KRWDZBQOSA-N	1	0	351.472	1.019	20	30		FDEDRO
CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCc1ccc(CC#N)cc1	ZINC000580893108	551029992	/nfs/dbraw/zinc/02/99/92/551029992.db2.gz	WNJGCIZUCRIABY-SFHVURJKSA-N	1	0	356.470	1.702	20	30		FDEDRO
C=C(C)[C@H](CC(=O)NC1CC[NH+](CC(=O)N(CC)CC)CC1)OCC	ZINC000581082882	551050224	/nfs/dbraw/zinc/05/02/24/551050224.db2.gz	UGEDJPVXCBYJFG-KRWDZBQOSA-N	1	0	353.507	1.807	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)NC2CC[NH+](C3CCC3)CC2)CC1	ZINC000581293743	551072546	/nfs/dbraw/zinc/07/25/46/551072546.db2.gz	GVRQNHHBKBWUCB-UHFFFAOYSA-N	1	0	368.485	1.802	20	30		FDEDRO
CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1	ZINC000581303760	551073874	/nfs/dbraw/zinc/07/38/74/551073874.db2.gz	BXBYFCYTFRSLHF-CQSZACIVSA-N	1	0	356.405	2.441	20	30		FDEDRO
C[NH+](C)CCOc1cnccc1CNC(=O)NCc1cccc(C#N)c1	ZINC000581510470	551097790	/nfs/dbraw/zinc/09/77/90/551097790.db2.gz	VPPNDBTTXILHAK-UHFFFAOYSA-N	1	0	353.426	1.893	20	30		FDEDRO
CC[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC2)CC1	ZINC000581522114	551098812	/nfs/dbraw/zinc/09/88/12/551098812.db2.gz	BIMXHQJCTSPZRS-KRWDZBQOSA-N	1	0	366.469	1.995	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)Nc1cccc(C#N)n1	ZINC000581883145	551145104	/nfs/dbraw/zinc/14/51/04/551145104.db2.gz	LGDYFOIXABKHKH-UHFFFAOYSA-N	1	0	369.400	1.621	20	30		FDEDRO
COC(=O)c1ccc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(C#N)n1	ZINC000582072761	551172170	/nfs/dbraw/zinc/17/21/70/551172170.db2.gz	HUFJNKKKNQXXMD-RHSMWYFYSA-N	1	0	357.458	1.202	20	30		FDEDRO
N#Cc1cccc(OCC[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1	ZINC000582509501	551234291	/nfs/dbraw/zinc/23/42/91/551234291.db2.gz	HALTVVQEFIASGH-MRXNPFEDSA-N	1	0	363.483	1.731	20	30		FDEDRO
Cc1nn(C)c(C)c1C[C@H](C)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1	ZINC000583138860	551308937	/nfs/dbraw/zinc/30/89/37/551308937.db2.gz	MMHWTHNKNXLWAC-ZDUSSCGKSA-N	1	0	360.483	1.903	20	30		FDEDRO
Cc1cc(CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)n(C)n1	ZINC000583207187	551319404	/nfs/dbraw/zinc/31/94/04/551319404.db2.gz	UWVGQXGKBSWRTJ-UHFFFAOYSA-N	1	0	351.454	1.946	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000583335654	551337090	/nfs/dbraw/zinc/33/70/90/551337090.db2.gz	ZUOJBCYZPDBMRU-UKRRQHHQSA-N	1	0	351.491	1.509	20	30		FDEDRO
C[NH+](C)CCc1ccc(CNC(=O)C(=O)Nc2cccc(C#N)n2)cc1	ZINC000583380055	551343056	/nfs/dbraw/zinc/34/30/56/551343056.db2.gz	FNBDIAVBLITESK-UHFFFAOYSA-N	1	0	351.410	1.312	20	30		FDEDRO
CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(C#N)n1)[NH+]1CCC(C)CC1	ZINC000584051676	551439677	/nfs/dbraw/zinc/43/96/77/551439677.db2.gz	LBMNEZTYXZEKPU-INIZCTEOSA-N	1	0	357.458	1.764	20	30		FDEDRO
N#Cc1ccccc1COc1cccc(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1	ZINC000584510101	551508419	/nfs/dbraw/zinc/50/84/19/551508419.db2.gz	AOGHYTWVKMBXEQ-KDURUIRLSA-N	1	0	361.401	1.842	20	30		FDEDRO
C[C@@H]1CN(CCC[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C[C@@H](C)O1	ZINC000584582473	551521999	/nfs/dbraw/zinc/52/19/99/551521999.db2.gz	PFSDQCDCQBGMFC-LMMKCTJWSA-N	1	0	361.486	1.581	20	30		FDEDRO
N#Cc1cccnc1OC1CCC(NC(=O)N2CCO[C@@H](C[NH3+])C2)CC1	ZINC000584710369	551533909	/nfs/dbraw/zinc/53/39/09/551533909.db2.gz	YNWCLAUTOSFOJN-GPANFISMSA-N	1	0	359.430	1.012	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)cc1	ZINC000584792718	551550145	/nfs/dbraw/zinc/55/01/45/551550145.db2.gz	PHVHKECXUMBQLI-ZWKOTPCHSA-N	1	0	359.426	1.954	20	30		FDEDRO
CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NCc1ccc(C#N)cc1F	ZINC000586865024	551628089	/nfs/dbraw/zinc/62/80/89/551628089.db2.gz	ZIOLUAZNQHLGRB-UHFFFAOYSA-N	1	0	360.433	1.648	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(C#N)cc2F)C[C@@H]1C	ZINC000586864435	551628227	/nfs/dbraw/zinc/62/82/27/551628227.db2.gz	VBGBOPRTIUPYAA-BBRMVZONSA-N	1	0	360.433	1.645	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1cccc(C#N)c1	ZINC000587664652	551633425	/nfs/dbraw/zinc/63/34/25/551633425.db2.gz	JECQLXIJZPNPRP-QAPCUYQASA-N	1	0	368.481	1.926	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)c1cccc(C#N)c1	ZINC000587689639	551633908	/nfs/dbraw/zinc/63/39/08/551633908.db2.gz	LEWJCHKSYQQUFO-JCGIZDLHSA-N	1	0	354.454	1.678	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(C#N)c1	ZINC000587700364	551634367	/nfs/dbraw/zinc/63/43/67/551634367.db2.gz	CSVVGESTMVASEF-HZPDHXFCSA-N	1	0	372.469	1.353	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)c1cccc(C#N)c1	ZINC000587715704	551634595	/nfs/dbraw/zinc/63/45/95/551634595.db2.gz	FZNFZYGVGPEAOO-OWCLPIDISA-N	1	0	356.470	1.972	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1	ZINC000588055932	551643469	/nfs/dbraw/zinc/64/34/69/551643469.db2.gz	HGSUGXKVHUFKHJ-LJQANCHMSA-N	1	0	366.465	1.673	20	30		FDEDRO
CCCC(=O)NC1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1	ZINC000588956819	551700796	/nfs/dbraw/zinc/70/07/96/551700796.db2.gz	LFGONCYFQVBWGB-UHFFFAOYSA-N	1	0	364.471	1.108	20	30		FDEDRO
COc1cc(CNC(=O)c2cccc(C#N)n2)ccc1OCC[NH+](C)C	ZINC000589343905	551725390	/nfs/dbraw/zinc/72/53/90/551725390.db2.gz	CJKOTXKTNHSPEE-UHFFFAOYSA-N	1	0	354.410	1.832	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1	ZINC000589886827	551749499	/nfs/dbraw/zinc/74/94/99/551749499.db2.gz	GRURNCFCHUPREO-QGZVFWFLSA-N	1	0	368.485	1.802	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)CN2CC[C@H]3C[N@H+](C)C[C@H]32)cc1	ZINC000590012310	551757028	/nfs/dbraw/zinc/75/70/28/551757028.db2.gz	QLBINXMLDBFYOP-QFBILLFUSA-N	1	0	356.470	1.968	20	30		FDEDRO
N#Cc1cc(NCC(=O)NCC[NH+]2CCCCCC2)c2ccccc2n1	ZINC000590062567	551758625	/nfs/dbraw/zinc/75/86/25/551758625.db2.gz	HOQLGCORUHIMMH-UHFFFAOYSA-N	1	0	351.454	1.932	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21	ZINC000590279980	551769346	/nfs/dbraw/zinc/76/93/46/551769346.db2.gz	FSDATZSNVITQFO-ZBFHGGJFSA-N	1	0	356.426	1.446	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1C#N	ZINC000590280414	551769402	/nfs/dbraw/zinc/76/94/02/551769402.db2.gz	HJLKEFRUFRQQNH-BBRMVZONSA-N	1	0	356.426	1.446	20	30		FDEDRO
N#Cc1cc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cnc1C(F)(F)F	ZINC000590303122	551771562	/nfs/dbraw/zinc/77/15/62/551771562.db2.gz	NZXHOTIBGCOVRV-CQSZACIVSA-N	1	0	368.359	1.955	20	30		FDEDRO
CO[C@@H]1C[C@H]([N@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C12CCC2	ZINC000590761944	551813991	/nfs/dbraw/zinc/81/39/91/551813991.db2.gz	ALJZTMOYDXEZCF-FGTMMUONSA-N	1	0	362.518	1.568	20	30		FDEDRO
C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1	ZINC000590765346	551814754	/nfs/dbraw/zinc/81/47/54/551814754.db2.gz	NIZFCWVKKMDEAS-VBQJREDUSA-N	1	0	372.856	1.727	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)NC[C@@H]2CCC[N@H+]2CCCO)cc1	ZINC000590767769	551815035	/nfs/dbraw/zinc/81/50/35/551815035.db2.gz	IOOGOWQERIMFPV-RBUKOAKNSA-N	1	0	356.470	1.490	20	30		FDEDRO
N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H]3C[NH2+]CCO3)cn2)cc1	ZINC000591277806	551855715	/nfs/dbraw/zinc/85/57/15/551855715.db2.gz	ZYMYFQRWOFZGGT-MRXNPFEDSA-N	1	0	353.382	1.855	20	30		FDEDRO
N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1	ZINC000591286382	551856143	/nfs/dbraw/zinc/85/61/43/551856143.db2.gz	CQIYFFRGAFLWSP-AWEZNQCLSA-N	1	0	358.295	1.567	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCO1	ZINC000591297668	551857923	/nfs/dbraw/zinc/85/79/23/551857923.db2.gz	AXHTZUGVPQDHJM-NHYWBVRUSA-N	1	0	374.832	1.977	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCO1	ZINC000591299332	551858074	/nfs/dbraw/zinc/85/80/74/551858074.db2.gz	GNUISLOJLISTJP-RNCFNFMXSA-N	1	0	370.331	1.090	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1C(F)(F)F	ZINC000591304639	551859484	/nfs/dbraw/zinc/85/94/84/551859484.db2.gz	LRXAEXDNVFUNHX-QMTHXVAHSA-N	1	0	366.343	1.726	20	30		FDEDRO
CCCc1c(NC(=O)C(=O)NC[C@@H](C)[NH3+])cnn1-c1cccc(C#N)c1	ZINC000591304858	551859691	/nfs/dbraw/zinc/85/96/91/551859691.db2.gz	LUONHZUFQKNJQA-GFCCVEGCSA-N	1	0	354.414	1.098	20	30		FDEDRO
N#C[C@]1(F)CCN(C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)C1	ZINC000591311572	551860593	/nfs/dbraw/zinc/86/05/93/551860593.db2.gz	JYFOZZCXLRZDRG-GOSISDBHSA-N	1	0	361.421	1.440	20	30		FDEDRO
C[C@@H]1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[C@@H]1C[NH3+]	ZINC000591350558	551864993	/nfs/dbraw/zinc/86/49/93/551864993.db2.gz	OPBIUQREWUDNDQ-ZBFHGGJFSA-N	1	0	356.474	1.548	20	30		FDEDRO
CC[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[C@@H]1[NH3+]	ZINC000591356570	551865562	/nfs/dbraw/zinc/86/55/62/551865562.db2.gz	XCSDPEZVMMTZNO-NJAFHUGGSA-N	1	0	369.469	1.822	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@@H]4CC[NH2+][C@@H]4C3)C2=O)cc1	ZINC000591357127	551865736	/nfs/dbraw/zinc/86/57/36/551865736.db2.gz	NPTIFYYZEVMFOV-OKZBNKHCSA-N	1	0	367.453	1.053	20	30		FDEDRO
N#Cc1c(N)n(-c2ccc(F)cc2)nc1CCCNC(=O)NC/C=C\C[NH3+]	ZINC000591361059	551866200	/nfs/dbraw/zinc/86/62/00/551866200.db2.gz	ZRCAILHGMHBWPM-UPHRSURJSA-N	1	0	371.420	1.212	20	30		FDEDRO
Cc1ccc(-n2nc(CCCNC(=O)NC[C@@H](C)[NH3+])c(C#N)c2N)cc1	ZINC000591361319	551866268	/nfs/dbraw/zinc/86/62/68/551866268.db2.gz	TZFIYYONYBTLCN-CYBMUJFWSA-N	1	0	355.446	1.214	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1	ZINC000591572819	551880820	/nfs/dbraw/zinc/88/08/20/551880820.db2.gz	AYFOYAKNJWRIMG-RTBURBONSA-N	1	0	368.481	1.755	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CCN(c3ccccn3)C2)c1	ZINC000591756936	551906391	/nfs/dbraw/zinc/90/63/91/551906391.db2.gz	IKQBCXYVPGHZAC-MRXNPFEDSA-N	1	0	356.451	1.595	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1	ZINC000591885529	551913345	/nfs/dbraw/zinc/91/33/45/551913345.db2.gz	MNKXZSWUTFHCBL-LSDHHAIUSA-N	1	0	356.470	1.924	20	30		FDEDRO
CO[C@H](CS(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)C(C)C	ZINC000592019800	551927477	/nfs/dbraw/zinc/92/74/77/551927477.db2.gz	LUKJCZJAMUOJHM-GOSISDBHSA-N	1	0	367.515	1.923	20	30		FDEDRO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1ncccc1OCCCC#N	ZINC000592248944	551967141	/nfs/dbraw/zinc/96/71/41/551967141.db2.gz	FNNDKGWDLYZCCZ-CQSZACIVSA-N	1	0	374.445	1.348	20	30		FDEDRO
CNC(=O)[C@@H](C[NH2+]Cc1cc(C#N)n(C)c1)Cc1ccc(OC)c(F)c1	ZINC000592369254	551985330	/nfs/dbraw/zinc/98/53/30/551985330.db2.gz	FFRZVIXGAWQZPQ-OAHLLOKOSA-N	1	0	358.417	1.739	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CCO1	ZINC000592374299	551985568	/nfs/dbraw/zinc/98/55/68/551985568.db2.gz	KVHDDJKHOVOUCM-ZANVPECISA-N	1	0	363.361	1.314	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)CC1	ZINC000592526863	552004801	/nfs/dbraw/zinc/00/48/01/552004801.db2.gz	QJFVYWKSXNKTMP-UHFFFAOYSA-N	1	0	371.441	1.857	20	30		FDEDRO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(C)(C)Oc1ccc(C#N)cc1	ZINC000592871540	552037514	/nfs/dbraw/zinc/03/75/14/552037514.db2.gz	JJLMNMLMRUOUEV-AWEZNQCLSA-N	1	0	358.442	1.294	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCC([C@@H](C)CO)CC2)CC1	ZINC000593083420	552059530	/nfs/dbraw/zinc/05/95/30/552059530.db2.gz	NDFZSCLHENNIGZ-FUHWJXTLSA-N	1	0	350.507	1.019	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCCC[N@@H+](C)CC(C)C	ZINC000593181697	552070503	/nfs/dbraw/zinc/07/05/03/552070503.db2.gz	DIDQKFOABIHDNY-UHFFFAOYSA-N	1	0	369.473	2.547	20	30		FDEDRO
Cc1nn(C)cc1CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593347850	552093956	/nfs/dbraw/zinc/09/39/56/552093956.db2.gz	GYXNFELAIKMBRN-UHFFFAOYSA-N	1	0	351.454	1.924	20	30		FDEDRO
CCC(=O)N1CC[C@@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000593355317	552094470	/nfs/dbraw/zinc/09/44/70/552094470.db2.gz	WMDBVJDALDFEAO-GOSISDBHSA-N	1	0	368.481	1.897	20	30		FDEDRO
CC(=O)N1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593353083	552094494	/nfs/dbraw/zinc/09/44/94/552094494.db2.gz	NNIXFIQQNNDMLO-IBGZPJMESA-N	1	0	354.454	1.650	20	30		FDEDRO
COCCOC[C@@H](C)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593358622	552095446	/nfs/dbraw/zinc/09/54/46/552095446.db2.gz	KAJMFNJABPHMJP-MRXNPFEDSA-N	1	0	374.485	1.873	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCC(=O)NCC#N)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1	ZINC000593410079	552104218	/nfs/dbraw/zinc/10/42/18/552104218.db2.gz	HYFLJUWCAKIUSV-BZUAXINKSA-N	1	0	357.458	1.319	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@H]3CCCNC3=O)CC2)c1	ZINC000593415404	552105298	/nfs/dbraw/zinc/10/52/98/552105298.db2.gz	XUPSZUFVHAXDCY-QGZVFWFLSA-N	1	0	369.469	1.348	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccsc1C#N	ZINC000593566458	552136569	/nfs/dbraw/zinc/13/65/69/552136569.db2.gz	HLMINEXKPHKPOX-UPJWGTAASA-N	1	0	355.485	1.492	20	30		FDEDRO
CCN1C[C@H](C)N(S(=O)(=O)c2ccc(C#N)cc2C(=O)OC)C[C@@H]1C	ZINC000593568972	552137586	/nfs/dbraw/zinc/13/75/86/552137586.db2.gz	LOQUDHWPWYHXPW-STQMWFEESA-N	1	0	365.455	1.448	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(C)C	ZINC000593579624	552141816	/nfs/dbraw/zinc/14/18/16/552141816.db2.gz	BYDFFFDZLQHWBD-HNNXBMFYSA-N	1	0	368.459	1.967	20	30		FDEDRO
N#Cc1sccc1S(=O)(=O)N1CCC[C@@H](CN2CCOCC2)C1	ZINC000593591782	552146039	/nfs/dbraw/zinc/14/60/39/552146039.db2.gz	OANWUUQEEFJIRG-ZDUSSCGKSA-N	1	0	355.485	1.353	20	30		FDEDRO
CCN1C[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1=O	ZINC000593690319	552174654	/nfs/dbraw/zinc/17/46/54/552174654.db2.gz	UKKKORWQFMQIPC-OAHLLOKOSA-N	1	0	352.442	1.817	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1	ZINC000593767845	552194653	/nfs/dbraw/zinc/19/46/53/552194653.db2.gz	VVAMPUNOEWHDFB-LZLYRXPVSA-N	1	0	370.453	1.436	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1	ZINC000594099466	552248715	/nfs/dbraw/zinc/24/87/15/552248715.db2.gz	HDMFARUWCPVRIE-KCQAQPDRSA-N	1	0	364.471	1.834	20	30		FDEDRO
N#Cc1cc(NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)ccc1OC(F)(F)F	ZINC000594103011	552249116	/nfs/dbraw/zinc/24/91/16/552249116.db2.gz	SGNDGNHQTFKMOK-QWHCGFSZSA-N	1	0	370.331	1.740	20	30		FDEDRO
CN1CCC([N@@H+]2CC[C@H](NC(=O)N3Cc4ccc(C#N)cc4C3)C2)CC1	ZINC000594222752	552266641	/nfs/dbraw/zinc/26/66/41/552266641.db2.gz	LGYSLXCOUNSIHM-SFHVURJKSA-N	1	0	353.470	1.752	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)ncc1C#N	ZINC000594288049	552279036	/nfs/dbraw/zinc/27/90/36/552279036.db2.gz	GCBDXBRSCYVWJE-KCQAQPDRSA-N	1	0	357.458	1.683	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)ncc1C#N	ZINC000594307076	552283592	/nfs/dbraw/zinc/28/35/92/552283592.db2.gz	XDFPBIBJGGWNKU-INIZCTEOSA-N	1	0	357.458	1.827	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000594326216	552288861	/nfs/dbraw/zinc/28/88/61/552288861.db2.gz	OCTLPAJXNNWKTK-GOEBONIOSA-N	1	0	356.426	1.638	20	30		FDEDRO
N#Cc1cc(Br)ccc1CC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000594385713	552300241	/nfs/dbraw/zinc/30/02/41/552300241.db2.gz	JOEHPOTWNLJVKJ-LSDHHAIUSA-N	1	0	364.243	1.141	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1	ZINC000594432026	552309304	/nfs/dbraw/zinc/30/93/04/552309304.db2.gz	VHASYVOQBFPJTA-IRXDYDNUSA-N	1	0	358.442	1.832	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1	ZINC000594435093	552309374	/nfs/dbraw/zinc/30/93/74/552309374.db2.gz	AGAHVEKQIDIDLD-HNNXBMFYSA-N	1	0	368.441	1.259	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1	ZINC000594437146	552309609	/nfs/dbraw/zinc/30/96/09/552309609.db2.gz	ITOXNXAVUPCJSW-SFHVURJKSA-N	1	0	365.437	1.783	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)NCCN1CCN(c2ccc(F)cc2)CC1	ZINC000594439188	552310561	/nfs/dbraw/zinc/31/05/61/552310561.db2.gz	PHWPYPNMLDAKIC-SFHVURJKSA-N	1	0	361.465	1.475	20	30		FDEDRO
Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)C2)nc1	ZINC000594440631	552311324	/nfs/dbraw/zinc/31/13/24/552311324.db2.gz	HEYSTMOMEMUVFO-HOTGVXAUSA-N	1	0	357.458	1.978	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)Nc1ccccc1OCC(=O)N1CCOCC1	ZINC000594445920	552312310	/nfs/dbraw/zinc/31/23/10/552312310.db2.gz	NOLRSKICULIDEB-HNNXBMFYSA-N	1	0	374.441	1.274	20	30		FDEDRO
C[C@@H](C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1)N1C[C@@H](C)O[C@@H](C)C1	ZINC000594577665	552336631	/nfs/dbraw/zinc/33/66/31/552336631.db2.gz	YFERFKPUMHHWBB-BMFAXAFESA-N	1	0	361.486	1.580	20	30		FDEDRO
N#CC1(c2ccc(C[NH2+]Cc3ccc(C(=O)NCC(N)=O)cc3)cc2)CC1	ZINC000594920758	552424068	/nfs/dbraw/zinc/42/40/68/552424068.db2.gz	ADQPAMVRSPJWIE-UHFFFAOYSA-N	1	0	362.433	1.747	20	30		FDEDRO
Cn1cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c(CN2C(=O)c3ccccc3C2=O)n1	ZINC000594951512	552425839	/nfs/dbraw/zinc/42/58/39/552425839.db2.gz	UMTZCQPPPUFRQD-DZGCQCFKSA-N	1	0	363.421	1.998	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1C#N	ZINC000595113929	552455256	/nfs/dbraw/zinc/45/52/56/552455256.db2.gz	PLSOPGVXVCUPLB-OIISXLGYSA-N	1	0	364.471	1.311	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CC[C@@](C)(C#N)C1	ZINC000595146002	552466866	/nfs/dbraw/zinc/46/68/66/552466866.db2.gz	KPFALEBJCBHIDG-IBGZPJMESA-N	1	0	360.433	1.478	20	30		FDEDRO
N#Cc1sccc1N1CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1	ZINC000595236114	552501064	/nfs/dbraw/zinc/50/10/64/552501064.db2.gz	HWWHJXOOCRGFEV-LBPRGKRZSA-N	1	0	361.393	1.731	20	30		FDEDRO
CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000595240681	552502889	/nfs/dbraw/zinc/50/28/89/552502889.db2.gz	VPLSFJDTIBVSQI-UHFFFAOYSA-N	1	0	353.220	1.455	20	30		FDEDRO
CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCO[C@@H](C#N)C2)cc1	ZINC000595270860	552508958	/nfs/dbraw/zinc/50/89/58/552508958.db2.gz	NGGNBJJUDQQFGT-BZSNNMDCSA-N	1	0	358.442	1.465	20	30		FDEDRO
C=CCCSCCNC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1	ZINC000595270072	552509266	/nfs/dbraw/zinc/50/92/66/552509266.db2.gz	BSFMKJZNZIUFRN-HZPDHXFCSA-N	1	0	368.547	1.586	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCC34CC(C3)C[NH2+]4)CC2)cc1	ZINC000595273320	552509464	/nfs/dbraw/zinc/50/94/64/552509464.db2.gz	LUGSPFJNGWUWPH-UHFFFAOYSA-N	1	0	353.470	1.528	20	30		FDEDRO
N#Cc1cccc(OC2CCN(C(=O)C(=O)NCC3([NH3+])CCCC3)CC2)c1	ZINC000595277813	552510781	/nfs/dbraw/zinc/51/07/81/552510781.db2.gz	FDIRSVPQWKGPES-UHFFFAOYSA-N	1	0	370.453	1.316	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1	ZINC000595281386	552511343	/nfs/dbraw/zinc/51/13/43/552511343.db2.gz	AGQWDRLBJOPLGS-CVEARBPZSA-N	1	0	353.532	1.793	20	30		FDEDRO
C[NH+](C)CC(=O)N1CCN(Cc2ccc(C#N)cc2C(F)(F)F)CC1	ZINC000595299688	552516051	/nfs/dbraw/zinc/51/60/51/552516051.db2.gz	YRPWWTRUDHHVIP-UHFFFAOYSA-N	1	0	354.376	1.783	20	30		FDEDRO
Cn1cc(C(=O)NCC2CC[NH+](CCc3ccc(C#N)cc3)CC2)cn1	ZINC000595319785	552523494	/nfs/dbraw/zinc/52/34/94/552523494.db2.gz	CHURHPCOJBAJSG-UHFFFAOYSA-N	1	0	351.454	1.976	20	30		FDEDRO
N#Cc1cc(F)c(S(=O)(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(F)c1	ZINC000595384955	552544083	/nfs/dbraw/zinc/54/40/83/552544083.db2.gz	QGZOIBUQZRRPMN-ZDUSSCGKSA-N	1	0	371.409	1.056	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2F)CCO1	ZINC000595405531	552551838	/nfs/dbraw/zinc/55/18/38/552551838.db2.gz	XWVPKMKVUVTDRH-MRXNPFEDSA-N	1	0	369.462	1.570	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(S(=O)(=O)Cc2ccc(CC#N)cc2)CCO1	ZINC000595405340	552552130	/nfs/dbraw/zinc/55/21/30/552552130.db2.gz	WBMSRFJBBAAIMO-SFHVURJKSA-N	1	0	365.499	1.625	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](N3CCC[C@H]([NH+]4CCOCC4)CC3)C2=O)cc1	ZINC000595470711	552567913	/nfs/dbraw/zinc/56/79/13/552567913.db2.gz	QRKYIRYMCJPXPD-ICSRJNTNSA-N	1	0	368.481	1.850	20	30		FDEDRO
CC(C)C[NH2+]C1(CO)CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1	ZINC000595510762	552575576	/nfs/dbraw/zinc/57/55/76/552575576.db2.gz	DDVBJVCAZUFNRO-MRXNPFEDSA-N	1	0	358.486	1.958	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)C[NH2+]C1(CC(=O)OC(C)(C)C)CCOCC1	ZINC000595546691	552581568	/nfs/dbraw/zinc/58/15/68/552581568.db2.gz	MHVMRQQYMJSUQS-GOSISDBHSA-N	1	0	367.490	1.911	20	30		FDEDRO
CN(C(=O)C[NH2+][C@H](C1CC1)C1(CO)CCOCC1)C1(C#N)CCCCC1	ZINC000595596196	552590453	/nfs/dbraw/zinc/59/04/53/552590453.db2.gz	LTQNKZBBZPRIST-GOSISDBHSA-N	1	0	363.502	1.829	20	30		FDEDRO
COC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](CC#N)C2)c(OC)c1	ZINC000595609932	552592209	/nfs/dbraw/zinc/59/22/09/552592209.db2.gz	QJYVLSKCYZEXRC-HOCLYGCPSA-N	1	0	362.426	1.847	20	30		FDEDRO
CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000595632451	552595524	/nfs/dbraw/zinc/59/55/24/552595524.db2.gz	OGOIAVPFUNMMCN-ONCXSQPRSA-N	1	0	362.470	1.648	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@H](CO)C3CCC3)CC2)c1	ZINC000595652158	552597603	/nfs/dbraw/zinc/59/76/03/552597603.db2.gz	GISJQGJSEGSVOU-LJQANCHMSA-N	1	0	356.470	1.983	20	30		FDEDRO
COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000595660787	552598547	/nfs/dbraw/zinc/59/85/47/552598547.db2.gz	DRQNZTSDCPWNJZ-WPMQWBBHSA-N	1	0	351.447	1.226	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H]1CCO[C@H]1C(=O)OC	ZINC000595662487	552599054	/nfs/dbraw/zinc/59/90/54/552599054.db2.gz	NUNZSFXFRHPRRB-AEGPPILISA-N	1	0	352.456	1.571	20	30		FDEDRO
CCOCC[C@H](O)C[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595730572	552607763	/nfs/dbraw/zinc/60/77/63/552607763.db2.gz	CGZYYIFLKTUYIG-SFHVURJKSA-N	1	0	369.469	1.858	20	30		FDEDRO
Cc1cc(NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)n(C)n1	ZINC000595774794	552613811	/nfs/dbraw/zinc/61/38/11/552613811.db2.gz	SPMNRLXHECFOSZ-UHFFFAOYSA-N	1	0	353.426	1.834	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@@H]1C[C@@H](O)C12CCC2	ZINC000595779333	552614077	/nfs/dbraw/zinc/61/40/77/552614077.db2.gz	CQDMRPSRVLXYPS-HZPDHXFCSA-N	1	0	351.410	1.576	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H]1C[C@@H](O)C12CCC2	ZINC000595776334	552614082	/nfs/dbraw/zinc/61/40/82/552614082.db2.gz	AMHZDKQNPGNSFQ-IAGOWNOFSA-N	1	0	374.485	1.845	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@@H](C)O[C@@H](C)C3)CC2)o1	ZINC000595779686	552614125	/nfs/dbraw/zinc/61/41/25/552614125.db2.gz	FWEUJDBYMYHLPX-KGLIPLIRSA-N	1	0	361.446	1.003	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@@H](CN4CCCC4=O)C3)C2=O)cc1	ZINC000595828901	552621125	/nfs/dbraw/zinc/62/11/25/552621125.db2.gz	MRAYSQJCEHSDHX-MJGOQNOKSA-N	1	0	366.465	1.998	20	30		FDEDRO
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+]2CCC3(COC3)C2)CC1	ZINC000595832570	552621597	/nfs/dbraw/zinc/62/15/97/552621597.db2.gz	FMJGCFXDLFQAMX-GOSISDBHSA-N	1	0	372.444	1.257	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCC3(COC3)C2)CC1	ZINC000595834530	552621990	/nfs/dbraw/zinc/62/19/90/552621990.db2.gz	PPWHQFVVNZKIIL-OAHLLOKOSA-N	1	0	360.483	1.179	20	30		FDEDRO
CCOC(=O)CC1([NH2+]CC(=O)N(C)C2(C#N)CCCCC2)CCOCC1	ZINC000595883903	552628160	/nfs/dbraw/zinc/62/81/60/552628160.db2.gz	CYLSXBJMJZQFAY-UHFFFAOYSA-N	1	0	365.474	1.763	20	30		FDEDRO
C=CC[C@]1(C(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])CCC[NH2+]1	ZINC000595923015	552633693	/nfs/dbraw/zinc/63/36/93/552633693.db2.gz	OJDTZISERABVCP-GOSISDBHSA-N	1	0	363.414	1.969	20	30		FDEDRO
Cc1nc(SCC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)c(C#N)c(C)c1C	ZINC000595992995	552642083	/nfs/dbraw/zinc/64/20/83/552642083.db2.gz	ZPRKPTKKNXYOKN-UHFFFAOYSA-N	1	0	372.454	1.241	20	30		FDEDRO
N#Cc1cnnc(NCCCC[NH+]2CCN(Cc3ccccc3)CC2)c1	ZINC000596081040	552653283	/nfs/dbraw/zinc/65/32/83/552653283.db2.gz	BLZVSWVVXZTVLD-UHFFFAOYSA-N	1	0	350.470	2.358	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNc2nc(C#N)c(Cl)s2)c1	ZINC000596103756	552655310	/nfs/dbraw/zinc/65/53/10/552655310.db2.gz	FKOGVUUVVARTIJ-UHFFFAOYSA-N	1	0	363.874	2.572	20	30		FDEDRO
C[C@H]1CN(c2nc3ncccc3cc2C#N)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000596180738	552662574	/nfs/dbraw/zinc/66/25/74/552662574.db2.gz	SXECZFRUOKPTDE-MAUKXSAKSA-N	1	0	350.470	1.964	20	30		FDEDRO
COC(=O)c1ccc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c(C#N)n1	ZINC000596422855	552677779	/nfs/dbraw/zinc/67/77/79/552677779.db2.gz	IBUFSIUVKGPOME-MRXNPFEDSA-N	1	0	366.421	1.919	20	30		FDEDRO
N#Cc1cc2c(nc1NCc1ccc(C[N@H+]3CC[C@H](O)C3)cc1)CCOC2	ZINC000596423092	552677860	/nfs/dbraw/zinc/67/78/60/552677860.db2.gz	JISNKABGINATTO-IBGZPJMESA-N	1	0	364.449	2.205	20	30		FDEDRO
CN(CC1C[NH+](C)C1)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000596532215	552686454	/nfs/dbraw/zinc/68/64/54/552686454.db2.gz	ZZJOTRNNROOMPA-UHFFFAOYSA-N	1	0	357.458	1.846	20	30		FDEDRO
N#CCC1(CNC(=O)NC[C@@]2(CO)COCCN2Cc2ccccc2)CC1	ZINC000596587821	552691944	/nfs/dbraw/zinc/69/19/44/552691944.db2.gz	QFXCFQNZINVXMC-HXUWFJFHSA-N	1	0	372.469	1.243	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3ccc(=O)[nH]c3)CC2)cc1	ZINC000596693487	552702616	/nfs/dbraw/zinc/70/26/16/552702616.db2.gz	HPAHKGGVULXYRF-UHFFFAOYSA-N	1	0	350.422	1.936	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1cc(F)cc(N2CCOCC2)c1	ZINC000596926166	552725044	/nfs/dbraw/zinc/72/50/44/552725044.db2.gz	NVJVPHHYSAKWKI-UHFFFAOYSA-N	1	0	362.449	1.970	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)NCC1(C#N)CCCCC1)Cc1ccccc1	ZINC000597167682	552756814	/nfs/dbraw/zinc/75/68/14/552756814.db2.gz	LKXCPIZBUYYOTG-SFHVURJKSA-N	1	0	370.497	1.866	20	30		FDEDRO
C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1	ZINC000597184118	552758718	/nfs/dbraw/zinc/75/87/18/552758718.db2.gz	GVJDEAXCXKSBQY-CVEARBPZSA-N	1	0	356.470	1.972	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N[C@@H]3CC34CC[NH2+]CC4)CC2)nc1	ZINC000597439432	552789486	/nfs/dbraw/zinc/78/94/86/552789486.db2.gz	JKCCBCHUIDZTHK-MRXNPFEDSA-N	1	0	354.458	1.363	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@@H]3CC34CC[NH2+]CC4)C2=O)cc1	ZINC000597438893	552789558	/nfs/dbraw/zinc/78/95/58/552789558.db2.gz	FVXRZIZWQZZGMV-IAGOWNOFSA-N	1	0	367.453	1.495	20	30		FDEDRO
CO[C@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)[C@H]1CCOC1	ZINC000597474295	552793459	/nfs/dbraw/zinc/79/34/59/552793459.db2.gz	GCLUEAICDJOLRI-ROUUACIJSA-N	1	0	357.454	1.712	20	30		FDEDRO
N#Cc1c(F)cc(C(=O)N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)cc1F	ZINC000597751276	552828611	/nfs/dbraw/zinc/82/86/11/552828611.db2.gz	SXMXBLDNKGHBDA-CYBMUJFWSA-N	1	0	362.380	1.263	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCc2ccc(C#N)cc2)CC1=O	ZINC000597892585	552844368	/nfs/dbraw/zinc/84/43/68/552844368.db2.gz	WZFBROMECLWIEJ-OALUTQOASA-N	1	0	368.481	1.550	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN(c2ccsc2C#N)CC1)[C@H]1CCSC1	ZINC000597935752	552847896	/nfs/dbraw/zinc/84/78/96/552847896.db2.gz	FAFQRARYGFMNEJ-ZDUSSCGKSA-N	1	0	350.513	1.706	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1	ZINC000598343870	552887839	/nfs/dbraw/zinc/88/78/39/552887839.db2.gz	XCRMXVLPRFVHBG-HNNXBMFYSA-N	1	0	364.471	1.011	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H](n2cccn2)C(F)(F)F)c1C#N	ZINC000598652564	552920564	/nfs/dbraw/zinc/92/05/64/552920564.db2.gz	MFWLOXBFLPAAQF-LBPRGKRZSA-N	1	0	369.351	1.762	20	30		FDEDRO
CN1CCN([C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)c2cccs2)CC1	ZINC000598703362	552926878	/nfs/dbraw/zinc/92/68/78/552926878.db2.gz	GZIXGEGLVPXTIZ-HZPDHXFCSA-N	1	0	350.532	1.927	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000598715355	552927812	/nfs/dbraw/zinc/92/78/12/552927812.db2.gz	PCIXPVPVTAZWCV-MRXNPFEDSA-N	1	0	365.499	1.861	20	30		FDEDRO
CN1CCOC[C@H]1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000599194000	552982204	/nfs/dbraw/zinc/98/22/04/552982204.db2.gz	IONGXEYJDZWDGY-LJQANCHMSA-N	1	0	371.485	1.106	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@@H+]2CCCN(c3nccs3)CC2)CCOCC1	ZINC000599273158	553011823	/nfs/dbraw/zinc/01/18/23/553011823.db2.gz	OSBIJZFPNXCHBQ-OAHLLOKOSA-N	1	0	350.488	1.727	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)CCOCC1	ZINC000599296225	553018790	/nfs/dbraw/zinc/01/87/90/553018790.db2.gz	RTQWWUPMYPIUJR-SFHVURJKSA-N	1	0	371.481	1.577	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000599350695	553034691	/nfs/dbraw/zinc/03/46/91/553034691.db2.gz	YBLQXUFIAIEJEF-ZFWWWQNUSA-N	1	0	351.472	1.642	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)CCOCC1	ZINC000599377599	553039863	/nfs/dbraw/zinc/03/98/63/553039863.db2.gz	JHVOHBBTELVKMV-STQMWFEESA-N	1	0	363.380	1.058	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)CC1	ZINC000599381413	553041249	/nfs/dbraw/zinc/04/12/49/553041249.db2.gz	XKHZGOYQJIUJRG-LBPRGKRZSA-N	1	0	362.380	1.422	20	30		FDEDRO
C[N@H+](C[C@H](O)COc1ccccc1C#N)[C@@H](CC(N)=O)c1ccccc1	ZINC000599390601	553043615	/nfs/dbraw/zinc/04/36/15/553043615.db2.gz	NHHHTKDYCWPORD-ROUUACIJSA-N	1	0	353.422	1.846	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)CCOCC1	ZINC000599401208	553046660	/nfs/dbraw/zinc/04/66/60/553046660.db2.gz	OFJOFDPEDSMSNI-ROUUACIJSA-N	1	0	351.491	1.102	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]C1(C(N)=O)C2CC3CC(C2)CC1C3	ZINC000599438955	553056568	/nfs/dbraw/zinc/05/65/68/553056568.db2.gz	VUBSBALTOJXYER-XJEJZOBISA-N	1	0	369.465	1.568	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)CCOCC1	ZINC000599455756	553061389	/nfs/dbraw/zinc/06/13/89/553061389.db2.gz	WFUVDXWTMRYWLX-MOPGFXCFSA-N	1	0	371.481	1.696	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H](N2CCC([NH+]3CCOCC3)CC2)C1=O	ZINC000599472958	553067521	/nfs/dbraw/zinc/06/75/21/553067521.db2.gz	TYGGJTYBWLWGLB-INIZCTEOSA-N	1	0	360.483	1.522	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC2([NH3+])CCOCC2)cc1	ZINC000599606176	553101439	/nfs/dbraw/zinc/10/14/39/553101439.db2.gz	KVYSOWJGNGDUKK-GFCCVEGCSA-N	1	0	366.443	1.002	20	30		FDEDRO
CCC1(N2CCOCC2)CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1	ZINC000599663033	553116125	/nfs/dbraw/zinc/11/61/25/553116125.db2.gz	ABHBQCOXAQDFOJ-LJQANCHMSA-N	1	0	373.497	1.875	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(Cc2cc3ccccc3[nH]2)CC1	ZINC000599661558	553116184	/nfs/dbraw/zinc/11/61/84/553116184.db2.gz	YJGZJMAQWXFKTB-OAHLLOKOSA-N	1	0	369.469	1.686	20	30		FDEDRO
CC(C)CCN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2	ZINC000599880002	553165938	/nfs/dbraw/zinc/16/59/38/553165938.db2.gz	SOGOJBIAZIOBFL-UHFFFAOYSA-N	1	0	358.442	1.895	20	30		FDEDRO
CCN(CC[NH3+])C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	ZINC000599892450	553169577	/nfs/dbraw/zinc/16/95/77/553169577.db2.gz	XGCCBGYMRFAUAK-UHFFFAOYSA-N	1	0	371.441	1.015	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1	ZINC000599899154	553170942	/nfs/dbraw/zinc/17/09/42/553170942.db2.gz	IVINMWHOQJCDLT-WCQYABFASA-N	1	0	354.332	1.482	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1	ZINC000599903732	553171711	/nfs/dbraw/zinc/17/17/11/553171711.db2.gz	KCTGTQAEEPXQCT-QGZVFWFLSA-N	1	0	370.453	1.422	20	30		FDEDRO
N#Cc1ccccc1N1CCCN(C(=O)NCC2([NH3+])CCOCC2)CC1	ZINC000599931232	553176041	/nfs/dbraw/zinc/17/60/41/553176041.db2.gz	VLXJVIYZKGAGIZ-UHFFFAOYSA-N	1	0	357.458	1.288	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)c(F)cc1C#N	ZINC000599932660	553176520	/nfs/dbraw/zinc/17/65/20/553176520.db2.gz	YDQLIVJTFUPTQL-GFCCVEGCSA-N	1	0	362.405	1.635	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)c(F)cc1C#N	ZINC000599938792	553178890	/nfs/dbraw/zinc/17/88/90/553178890.db2.gz	RHHYEAYGZCQZMK-UHFFFAOYSA-N	1	0	374.416	1.635	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)cnc1C(F)(F)F	ZINC000599939352	553179260	/nfs/dbraw/zinc/17/92/60/553179260.db2.gz	HUKGJWOFPHUQPI-QWHCGFSZSA-N	1	0	354.332	1.253	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c(F)cc1C#N	ZINC000599949208	553182283	/nfs/dbraw/zinc/18/22/83/553182283.db2.gz	WHXNQLXPWWZWQM-LBPRGKRZSA-N	1	0	362.405	1.491	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1	ZINC000599955533	553184587	/nfs/dbraw/zinc/18/45/87/553184587.db2.gz	JDQNYFBZXPGPGO-VXGBXAGGSA-N	1	0	367.437	1.398	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)c(F)cc1C#N	ZINC000599977223	553190946	/nfs/dbraw/zinc/19/09/46/553190946.db2.gz	BHIALAXMXTZVGU-UHFFFAOYSA-N	1	0	374.416	1.778	20	30		FDEDRO
N#C[C@H](CO)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1	ZINC000600002116	553197557	/nfs/dbraw/zinc/19/75/57/553197557.db2.gz	MPFCLBQWSFDXPM-BRWVUGGUSA-N	1	0	355.463	1.964	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c(F)cc1C#N	ZINC000600059956	553210494	/nfs/dbraw/zinc/21/04/94/553210494.db2.gz	IBUNCLZCKNSNGM-AWEZNQCLSA-N	1	0	374.416	1.778	20	30		FDEDRO
N#CCCn1cc(CN2CCO[C@@H](CC(N)=O)C2)c(-c2ccccc2)n1	ZINC000600209072	553230975	/nfs/dbraw/zinc/23/09/75/553230975.db2.gz	SUYUZQSHBKSABG-KRWDZBQOSA-N	1	0	353.426	1.540	20	30		FDEDRO
COc1cccc(N2CC[C@H]([NH2+]C[C@@H](O)CC3(C#N)CCOCC3)C2)c1	ZINC000600722003	553306964	/nfs/dbraw/zinc/30/69/64/553306964.db2.gz	OOFGRFUDHRXQPK-WMZOPIPTSA-N	1	0	359.470	1.935	20	30		FDEDRO
CNC(=O)c1cccc(CC[NH2+]C[C@@H](O)COc2ccccc2C#N)c1	ZINC000600722900	553307180	/nfs/dbraw/zinc/30/71/80/553307180.db2.gz	JQGWHGWLCMXGTD-GOSISDBHSA-N	1	0	353.422	1.490	20	30		FDEDRO
CN(C)C1(C[NH2+]C[C@H](O)COc2ccccc2C#N)Cc2ccccc2C1	ZINC000600726380	553308031	/nfs/dbraw/zinc/30/80/31/553308031.db2.gz	SQESEGLNXGDNID-FQEVSTJZSA-N	1	0	365.477	1.987	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCS2(=O)=O	ZINC000600728640	553308351	/nfs/dbraw/zinc/30/83/51/553308351.db2.gz	AFTWJBUKVUSXMC-KRWDZBQOSA-N	1	0	372.446	1.418	20	30		FDEDRO
COc1cc(CN2CC[C@H]([NH2+]C[C@H](O)CC3(C#N)CC3)C2)cc(OC)c1	ZINC000600729478	553308584	/nfs/dbraw/zinc/30/85/84/553308584.db2.gz	HHFJOVADSSQJEF-DLBZAZTESA-N	1	0	359.470	1.922	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]Cc1cnn(CC(F)(F)F)c1	ZINC000600730945	553308657	/nfs/dbraw/zinc/30/86/57/553308657.db2.gz	OHRIJQVXARPZJA-CQSZACIVSA-N	1	0	354.332	1.847	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]Cc2cccnc2OCC(F)F)CCOCC1	ZINC000600733275	553308862	/nfs/dbraw/zinc/30/88/62/553308862.db2.gz	YFZWUXJHVXAPIG-CQSZACIVSA-N	1	0	355.385	1.886	20	30		FDEDRO
Cc1cc(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)nc(N2CCCC2)n1	ZINC000600738105	553309176	/nfs/dbraw/zinc/30/91/76/553309176.db2.gz	HJKNGLMUAXKUAR-KRWDZBQOSA-N	1	0	359.474	1.546	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]Cc1cccc(N2CCOCC2)n1	ZINC000600735590	553309435	/nfs/dbraw/zinc/30/94/35/553309435.db2.gz	OACGCPOOLYBMSD-GOSISDBHSA-N	1	0	368.437	1.319	20	30		FDEDRO
C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]C[C@H](O)CC1(C#N)CC1	ZINC000600741493	553309572	/nfs/dbraw/zinc/30/95/72/553309572.db2.gz	OKNNVKPXPLANLL-HUUCEWRRSA-N	1	0	351.472	1.388	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCCc2c1cnn2CCO	ZINC000600740675	553309726	/nfs/dbraw/zinc/30/97/26/553309726.db2.gz	ZXRZGWPGXCQLCT-WBVHZDCISA-N	1	0	356.426	1.154	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)CCOCC1	ZINC000600739733	553309732	/nfs/dbraw/zinc/30/97/32/553309732.db2.gz	UELBVXJVNKDBGV-WOJBJXKFSA-N	1	0	373.497	1.067	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)CCOCC1	ZINC000600738437	553309770	/nfs/dbraw/zinc/30/97/70/553309770.db2.gz	IPLNVUWFMJJWHG-CABCVRRESA-N	1	0	361.417	1.592	20	30		FDEDRO
Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@H](O)COc1ccccc1C#N	ZINC000600742663	553309977	/nfs/dbraw/zinc/30/99/77/553309977.db2.gz	KAXAEEXSGKFWAM-RBUKOAKNSA-N	1	0	370.449	1.944	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]C[C@@H](O)COc2ccccc2Br)CC1	ZINC000600746160	553310146	/nfs/dbraw/zinc/31/01/46/553310146.db2.gz	UMLMYLNOURLXKS-CHWSQXEVSA-N	1	0	369.259	1.833	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O	ZINC000600750467	553310910	/nfs/dbraw/zinc/31/09/10/553310910.db2.gz	WQBFKAGUNPOJDE-SCTDSRPQSA-N	1	0	360.454	1.455	20	30		FDEDRO
COc1ccc(CN2CC[C@H]2C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)cc1	ZINC000600760284	553312304	/nfs/dbraw/zinc/31/23/04/553312304.db2.gz	QYVPMEZBCLDCHG-OALUTQOASA-N	1	0	373.497	1.930	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(Nc3nc4ncccc4cc3C#N)CC2)C1=O	ZINC000601178325	553356932	/nfs/dbraw/zinc/35/69/32/553356932.db2.gz	PMFXDPFGQHONKB-INIZCTEOSA-N	1	0	350.426	1.608	20	30		FDEDRO
CO[C@@H]1CCC[C@H]1S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000601308477	553373282	/nfs/dbraw/zinc/37/32/82/553373282.db2.gz	SXYRJBJZBAXIJT-QZTJIDSGSA-N	1	0	365.499	1.819	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2ccccc2CC#N)C[C@@H]1[NH+]1CCCC1	ZINC000601397706	553394076	/nfs/dbraw/zinc/39/40/76/553394076.db2.gz	RGRBIICIDRMGHZ-HOTGVXAUSA-N	1	0	365.524	1.953	20	30		FDEDRO
C[NH+](C)C1(CNS(=O)(=O)c2ccc(C#N)c(Br)c2)CC1	ZINC000601449807	553408772	/nfs/dbraw/zinc/40/87/72/553408772.db2.gz	AWFMPCACJFBYNH-UHFFFAOYSA-N	1	0	358.261	1.693	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCCN(c3cc[nH+]cc3)CC2)c(F)c1	ZINC000601520455	553426985	/nfs/dbraw/zinc/42/69/85/553426985.db2.gz	LCDZZCKTLPNXDH-UHFFFAOYSA-N	1	0	360.414	1.993	20	30		FDEDRO
N#Cc1c(NC(=O)C2C[NH+](C3CCCCC3)C2)[nH]nc1N1CCOCC1	ZINC000601729675	553463766	/nfs/dbraw/zinc/46/37/66/553463766.db2.gz	KTLGOGSMBPZOAE-UHFFFAOYSA-N	1	0	358.446	1.321	20	30		FDEDRO
CN1CCN(c2cc[nH+]c(NC(=O)COc3ccc(C#N)cc3)c2)CC1	ZINC000601803700	553477359	/nfs/dbraw/zinc/47/73/59/553477359.db2.gz	HJKCATAVYAYUOH-UHFFFAOYSA-N	1	0	351.410	1.723	20	30		FDEDRO
N#CC1(C[C@H](O)CN2C(=O)N[C@]3(CC[N@H+](Cc4ccccc4)C3)C2=O)CC1	ZINC000601957958	553495977	/nfs/dbraw/zinc/49/59/77/553495977.db2.gz	MBJBWZJTZMYWBJ-JXFKEZNVSA-N	1	0	368.437	1.238	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@H](n2cncn2)C(F)(F)F)cc1	ZINC000601969015	553497245	/nfs/dbraw/zinc/49/72/45/553497245.db2.gz	QWXBINXGFAZZGR-ZFWWWQNUSA-N	1	0	369.347	1.477	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](n2cncn2)C(F)(F)F)cc1	ZINC000601970164	553497628	/nfs/dbraw/zinc/49/76/28/553497628.db2.gz	YZVBIPPJLMGTDB-GXTWGEPZSA-N	1	0	355.320	1.283	20	30		FDEDRO
CN1CCCC[C@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1=O	ZINC000602045955	553507312	/nfs/dbraw/zinc/50/73/12/553507312.db2.gz	DUVHBQHPCVNYDU-IBGZPJMESA-N	1	0	368.481	1.851	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000602053122	553508881	/nfs/dbraw/zinc/50/88/81/553508881.db2.gz	RACWZNNPMRREFU-HNNXBMFYSA-N	1	0	369.425	1.939	20	30		FDEDRO
CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N(C)[C@@H]2CCC[C@H]2C#N)CC1	ZINC000602066875	553512050	/nfs/dbraw/zinc/51/20/50/553512050.db2.gz	KCYRQKUSAGIXGZ-GOEBONIOSA-N	1	0	372.473	1.629	20	30		FDEDRO
N#CCCN1CCN(C(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)CC1	ZINC000602202301	553539120	/nfs/dbraw/zinc/53/91/20/553539120.db2.gz	FAZYJBXSHZGVLM-HXUWFJFHSA-N	1	0	354.498	1.999	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(C#N)c1	ZINC000602245045	553547317	/nfs/dbraw/zinc/54/73/17/553547317.db2.gz	ZZUJLECCTGQIIN-KSSFIOAISA-N	1	0	354.454	1.869	20	30		FDEDRO
CN1CCOC[C@@H]1CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000602283080	553556251	/nfs/dbraw/zinc/55/62/51/553556251.db2.gz	OLCKKZMLOYKSDW-CGZBRXJRSA-N	1	0	373.457	1.273	20	30		FDEDRO
CO[C@@]1(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCOC1	ZINC000602445534	553583258	/nfs/dbraw/zinc/58/32/58/553583258.db2.gz	WXSPAXLNYQPVPA-GOSISDBHSA-N	1	0	358.398	1.734	20	30		FDEDRO
CC(C)(O)C[NH+]1CCC(N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000602630247	553614273	/nfs/dbraw/zinc/61/42/73/553614273.db2.gz	LVPPLLVDMCZDEJ-LJQANCHMSA-N	1	0	370.497	1.484	20	30		FDEDRO
C[C@@H]1CN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@H](C)N1CC#N	ZINC000602852272	553651088	/nfs/dbraw/zinc/65/10/88/553651088.db2.gz	ARGYICSRWNNHLV-SCTDSRPQSA-N	1	0	357.502	1.324	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3cccnc3)C2)CC1	ZINC000602857427	553652748	/nfs/dbraw/zinc/65/27/48/553652748.db2.gz	WQWVRKIDVPDGNN-WOJBJXKFSA-N	1	0	369.513	1.953	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CCN1CCOCC1)[C@@H]1CCSC1	ZINC000602881260	553659190	/nfs/dbraw/zinc/65/91/90/553659190.db2.gz	LCIKQKULOLPRMI-DLBZAZTESA-N	1	0	368.547	1.134	20	30		FDEDRO
COC[C@]1(C(=O)OC(C)(C)C)CC[N@H+](CCC(=O)N(C)CCC#N)C1	ZINC000602961322	553681418	/nfs/dbraw/zinc/68/14/18/553681418.db2.gz	NMGPSPNIUZFOQP-SFHVURJKSA-N	1	0	353.463	1.429	20	30		FDEDRO
N#Cc1cc(F)cc(NC(=O)N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c1	ZINC000603070074	553705781	/nfs/dbraw/zinc/70/57/81/553705781.db2.gz	GARGPTCLYSWVMA-MRXNPFEDSA-N	1	0	359.405	1.516	20	30		FDEDRO
C[C@@H]1CN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C[C@H](C)N1CC#N	ZINC000603082675	553706583	/nfs/dbraw/zinc/70/65/83/553706583.db2.gz	HJEZEVFQXXFUCQ-GASCZTMLSA-N	1	0	359.478	1.600	20	30		FDEDRO
C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)Nc2ccnc(C#N)c2)CC1	ZINC000603131312	553713475	/nfs/dbraw/zinc/71/34/75/553713475.db2.gz	NVKWTMWGFIQDDZ-HOTGVXAUSA-N	1	0	356.474	1.976	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)Cn2cc(CC[NH+](C)C)nn2)c1	ZINC000603186886	553726243	/nfs/dbraw/zinc/72/62/43/553726243.db2.gz	KAKOBDXJHVNCPJ-UHFFFAOYSA-N	1	0	354.458	1.946	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)n1cc(CC[NH+](C)C)nn1	ZINC000603197565	553729890	/nfs/dbraw/zinc/72/98/90/553729890.db2.gz	OASAVIVXJKZSOW-HNNXBMFYSA-N	1	0	370.457	1.899	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](n3cc(C4CC[NH2+]CC4)nn3)C2=O)cc1	ZINC000603233478	553737629	/nfs/dbraw/zinc/73/76/29/553737629.db2.gz	ACLPNPSPPDWKNN-SFHVURJKSA-N	1	0	350.426	1.985	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c(CS(N)(=O)=O)c1	ZINC000603294340	553757280	/nfs/dbraw/zinc/75/72/80/553757280.db2.gz	HDNPOGPLRIEVRC-QGZVFWFLSA-N	1	0	362.499	1.801	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCN(c2cccc(-n3cccc3)c2C#N)CC1	ZINC000603313014	553762734	/nfs/dbraw/zinc/76/27/34/553762734.db2.gz	CBTPYTARUJUCHP-UHFFFAOYSA-N	1	0	351.454	1.949	20	30		FDEDRO
CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)c1ncccc1C#N	ZINC000603402358	553780186	/nfs/dbraw/zinc/78/01/86/553780186.db2.gz	QCNYIEOSIJUKCQ-UHFFFAOYSA-N	1	0	363.421	1.617	20	30		FDEDRO
C[N@@H+]1CCCN(CCCNS(=O)(=O)c2ccc(C#N)c(F)c2)CC1	ZINC000603404098	553780936	/nfs/dbraw/zinc/78/09/36/553780936.db2.gz	TYFABESLZRRJOZ-UHFFFAOYSA-N	1	0	354.451	1.003	20	30		FDEDRO
N#CC[C@@H]1CCCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1	ZINC000603436580	553788543	/nfs/dbraw/zinc/78/85/43/553788543.db2.gz	NCVYXTBXVNVNLA-ROUUACIJSA-N	1	0	363.506	1.118	20	30		FDEDRO
COCCNC(=O)C1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000603445724	553789825	/nfs/dbraw/zinc/78/98/25/553789825.db2.gz	VJZCEQVREJCNOG-UHFFFAOYSA-N	1	0	358.442	1.361	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)cc1	ZINC000605995114	554033412	/nfs/dbraw/zinc/03/34/12/554033412.db2.gz	NRHZVIYSKDIBTH-UHFFFAOYSA-N	1	0	361.446	1.389	20	30		FDEDRO
N#Cc1ccc(OC2CC[NH+](C[C@@H](O)COC[C@H]3CCCO3)CC2)cc1	ZINC000609147520	554343416	/nfs/dbraw/zinc/34/34/16/554343416.db2.gz	ZSARTLKLHAPTBV-YLJYHZDGSA-N	1	0	360.454	1.958	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C(=O)OC)c2C)CC1	ZINC000609282728	554359193	/nfs/dbraw/zinc/35/91/93/554359193.db2.gz	YFUGEYGBVPDYFM-UHFFFAOYSA-N	1	0	373.453	1.877	20	30		FDEDRO
C[NH+]1CCN(CCCCNS(=O)(=O)c2ccc(F)c(C#N)c2)CC1	ZINC000609314392	554364357	/nfs/dbraw/zinc/36/43/57/554364357.db2.gz	CYDZIIAWLYOHJX-UHFFFAOYSA-N	1	0	354.451	1.003	20	30		FDEDRO
N#CCN1CCC(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CC1	ZINC000609337678	554368561	/nfs/dbraw/zinc/36/85/61/554368561.db2.gz	CSPLFODTXGOBNN-UHFFFAOYSA-N	1	0	355.486	1.892	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1	ZINC000609421083	554375746	/nfs/dbraw/zinc/37/57/46/554375746.db2.gz	LNANZJJRGYSRHV-QGZVFWFLSA-N	1	0	354.454	1.643	20	30		FDEDRO
CC[C@](C)(C#N)NC(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C	ZINC000609447448	554377456	/nfs/dbraw/zinc/37/74/56/554377456.db2.gz	MTMYDYRMQVPVDJ-LJQANCHMSA-N	1	0	352.442	1.986	20	30		FDEDRO
C[NH+](C)CCN1CCN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC1	ZINC000609629875	554405680	/nfs/dbraw/zinc/40/56/80/554405680.db2.gz	BCHIOIBZNQVYIR-LJQANCHMSA-N	1	0	355.486	1.233	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)cc1	ZINC000610216719	554474822	/nfs/dbraw/zinc/47/48/22/554474822.db2.gz	JIPYIMBFLNXLCM-OALUTQOASA-N	1	0	359.470	1.146	20	30		FDEDRO
C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000610424005	554503673	/nfs/dbraw/zinc/50/36/73/554503673.db2.gz	PNGHFHBQYNJXOM-ZIAGYGMSSA-N	1	0	357.458	1.945	20	30		FDEDRO
N#Cc1cnc(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c(Cl)c1	ZINC000610907986	554579861	/nfs/dbraw/zinc/57/98/61/554579861.db2.gz	DPYNXFGHHKSPJB-CQSZACIVSA-N	1	0	361.833	1.161	20	30		FDEDRO
N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCCN3CCC3)cn2)c1	ZINC000611057744	554600214	/nfs/dbraw/zinc/60/02/14/554600214.db2.gz	KSLDPFNOVLDWJY-UHFFFAOYSA-N	1	0	365.393	1.506	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3CCC4(CCOC4)CC3)CC2)o1	ZINC000611177149	554612714	/nfs/dbraw/zinc/61/27/14/554612714.db2.gz	AEQQYWAKKHTFCI-UHFFFAOYSA-N	1	0	373.457	1.006	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1	ZINC000612334612	554764197	/nfs/dbraw/zinc/76/41/97/554764197.db2.gz	NMWVXZSUXVPHLJ-ROUUACIJSA-N	1	0	351.491	1.561	20	30		FDEDRO
C=CCNC(=O)CN1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1	ZINC000613259596	554905703	/nfs/dbraw/zinc/90/57/03/554905703.db2.gz	NYPRMZJLOVBRNM-UHFFFAOYSA-N	1	0	360.502	1.047	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1	ZINC000613352588	554916649	/nfs/dbraw/zinc/91/66/49/554916649.db2.gz	JOHAUPBYYIICSN-LJQANCHMSA-N	1	0	365.518	1.808	20	30		FDEDRO
CNC(=O)N[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000613500887	554932336	/nfs/dbraw/zinc/93/23/36/554932336.db2.gz	ZNGCRPXLWGSHJW-NSHDSACASA-N	1	0	361.471	1.440	20	30		FDEDRO
CC#CCCCC(=O)N(C)CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O	ZINC000614866438	555130450	/nfs/dbraw/zinc/13/04/50/555130450.db2.gz	WOOIRLDCWJCNHX-UHFFFAOYSA-N	1	0	369.465	1.866	20	30		FDEDRO
COc1ccc(C[NH2+]CCC2CS(=O)(=O)C2)cc1OCCCC#N	ZINC000615728154	555233527	/nfs/dbraw/zinc/23/35/27/555233527.db2.gz	HIPXHGAEEYYKPE-UHFFFAOYSA-N	1	0	352.456	1.902	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1	ZINC000617695332	555483583	/nfs/dbraw/zinc/48/35/83/555483583.db2.gz	PMFAQSUGEREJPL-RTBURBONSA-N	1	0	359.470	1.340	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)cc1	ZINC000618308081	555610384	/nfs/dbraw/zinc/61/03/84/555610384.db2.gz	MBANQPQTVKNQFK-NRSPTQNISA-N	1	0	373.497	1.725	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@](O)(C[NH+](C)C)C1	ZINC000618924006	555696516	/nfs/dbraw/zinc/69/65/16/555696516.db2.gz	OIJOQHBICPUCEK-IBGZPJMESA-N	1	0	360.458	1.123	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CC2(CCOCC2)O1	ZINC000619175171	555733204	/nfs/dbraw/zinc/73/32/04/555733204.db2.gz	FORIYDUVFHVYGC-SJLPKXTDSA-N	1	0	360.454	1.762	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)S(=O)(=O)c1ccc(F)cc1	ZINC000619611306	555808712	/nfs/dbraw/zinc/80/87/12/555808712.db2.gz	IMTIWVBGGZQZFZ-AWEZNQCLSA-N	1	0	369.462	1.682	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](c3ccnc(N)n3)C2)cc1	ZINC000619781915	555833467	/nfs/dbraw/zinc/83/34/67/555833467.db2.gz	DHRYREADSJHWTK-IRXDYDNUSA-N	1	0	367.453	1.744	20	30		FDEDRO
CCN1CC[C@@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1=O	ZINC000619803463	555836633	/nfs/dbraw/zinc/83/66/33/555836633.db2.gz	HAOHXRHLWJRQHX-QGZVFWFLSA-N	1	0	355.442	1.006	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(CC)([NH+]2CCOCC2)CC1	ZINC000624241622	556558809	/nfs/dbraw/zinc/55/88/09/556558809.db2.gz	OXDANUDGPCLSTO-IRXDYDNUSA-N	1	0	351.491	1.864	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1	ZINC000625490034	556826045	/nfs/dbraw/zinc/82/60/45/556826045.db2.gz	ICXMROCYQLXGBG-UHFFFAOYSA-N	1	0	351.491	1.276	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C1	ZINC000625745401	556916402	/nfs/dbraw/zinc/91/64/02/556916402.db2.gz	CULOESAYJKJJDT-QGZVFWFLSA-N	1	0	363.502	1.514	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000627434751	557400651	/nfs/dbraw/zinc/40/06/51/557400651.db2.gz	RGABBYFVRTVPMC-HRCADAONSA-N	1	0	351.491	1.450	20	30		FDEDRO
C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)C1	ZINC000627735161	557482991	/nfs/dbraw/zinc/48/29/91/557482991.db2.gz	MFTRYKXWBATEEH-OAHLLOKOSA-N	1	0	372.469	1.940	20	30		FDEDRO
C=CCOc1ccc(C[NH+]2CCC(n3cc(C(N)=O)nn3)CC2)cc1OC	ZINC000628425450	557633348	/nfs/dbraw/zinc/63/33/48/557633348.db2.gz	LIQICMMKWZZRBT-UHFFFAOYSA-N	1	0	371.441	1.788	20	30		FDEDRO
C=CCOc1c(Br)cc(C[NH2+][C@@H]2COC[C@@H]2O)cc1OC	ZINC000631201647	557985369	/nfs/dbraw/zinc/98/53/69/557985369.db2.gz	YRVNIUQRZVDONB-OLZOCXBDSA-N	1	0	358.232	1.872	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000633090958	558255949	/nfs/dbraw/zinc/25/59/49/558255949.db2.gz	NWMGZUHILBTRLA-QGZVFWFLSA-N	1	0	352.523	1.685	20	30		FDEDRO
C=CCn1c(Cc2cc(C)[nH]n2)nnc1N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000634336336	558451100	/nfs/dbraw/zinc/45/11/00/558451100.db2.gz	HPBWIHSLIDEKEA-QGZVFWFLSA-N	1	0	373.505	1.633	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+]C2CN(c3ccncn3)C2)c(OC)c1	ZINC000634729151	558516950	/nfs/dbraw/zinc/51/69/50/558516950.db2.gz	YXFPORPKKJCFAB-KRWDZBQOSA-N	1	0	370.453	1.432	20	30		FDEDRO
O=C(C[N@@H+]1C[C@@H]2COC[C@@H]2C1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000634781220	558525917	/nfs/dbraw/zinc/52/59/17/558525917.db2.gz	PYEVRFHBBJJPIK-GASCZTMLSA-N	1	0	352.356	1.751	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000366034436	568262748	/nfs/dbraw/zinc/26/27/48/568262748.db2.gz	NWKPGRUGBBHADF-KBXCAEBGSA-N	1	0	368.485	1.704	20	30		FDEDRO
C=CCC[C@H](NC(=O)C(=O)N1CCN([C@H]2CCOC2)CC1)c1ccccc1	ZINC000669178281	568267309	/nfs/dbraw/zinc/26/73/09/568267309.db2.gz	CSMPDQRNOBCRCW-OALUTQOASA-N	1	0	371.481	1.743	20	30		FDEDRO
CO/N=C/c1ccc(C(=O)N2CCC[C@H](C[NH+]3CCN(C)CC3)C2)cc1	ZINC000365205777	568316664	/nfs/dbraw/zinc/31/66/64/568316664.db2.gz	DJPUSECNLUUIGG-ALDSOSFCSA-N	1	0	358.486	1.767	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000272893905	674485877	/nfs/dbraw/zinc/48/58/77/674485877.db2.gz	TXTKLGKVYSMHEF-LBPRGKRZSA-N	1	0	355.416	1.502	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1	ZINC000824184737	608528677	/nfs/dbraw/zinc/52/86/77/608528677.db2.gz	JZWKNRMLFZUNFN-QGZVFWFLSA-N	1	0	353.430	1.500	20	30		FDEDRO
C[C@@H](C#N)CNC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000824035224	609411604	/nfs/dbraw/zinc/41/16/04/609411604.db2.gz	URNVRMRUYFZMEW-AWEZNQCLSA-N	1	0	368.445	1.244	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CCc2ncc(C)s2)CC1	ZINC000286453443	675895812	/nfs/dbraw/zinc/89/58/12/675895812.db2.gz	HPRINAUKDWZIDR-UHFFFAOYSA-N	1	0	364.515	1.609	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@H+]2C[C@@H](OC)[C@@H](OC)C2)c(OC)c1	ZINC000276875351	674789959	/nfs/dbraw/zinc/78/99/59/674789959.db2.gz	LXHVFAROCQXGEJ-ZYSHUDEJSA-N	1	0	351.443	1.509	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)CC1	ZINC000057136794	671261361	/nfs/dbraw/zinc/26/13/61/671261361.db2.gz	CNERQBYFYYXHMK-KRWDZBQOSA-N	1	0	361.511	1.583	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(Cl)cn2)CC1	ZINC000286649025	675897919	/nfs/dbraw/zinc/89/79/19/675897919.db2.gz	NGYKGFIXBHFVDV-UHFFFAOYSA-N	1	0	350.850	1.508	20	30		FDEDRO
C[NH+]=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)N1CCC[C@@H](C)C1	ZINC000088662480	671490345	/nfs/dbraw/zinc/49/03/45/671490345.db2.gz	FORXTWVZIKPZPT-GFCCVEGCSA-N	1	0	366.478	1.558	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NCCNC(=[NH2+])NC2CCCCCC2)s1	ZINC000092278675	671515918	/nfs/dbraw/zinc/51/59/18/671515918.db2.gz	ZDWRAOYYHGAWEI-UHFFFAOYSA-N	1	0	358.533	1.962	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2scc(C)c2C(=O)OC)CC1	ZINC000287566962	675918036	/nfs/dbraw/zinc/91/80/36/675918036.db2.gz	JVECEHYKQYTJEG-UHFFFAOYSA-N	1	0	365.455	1.548	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NCCS(=O)(=O)NCc2ccccc2)cc1	ZINC000104170827	671594752	/nfs/dbraw/zinc/59/47/52/671594752.db2.gz	VVXFJURZUZRMOG-UHFFFAOYSA-N	1	0	362.455	1.541	20	30		FDEDRO
C=CCc1cc(OCC)cc(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)c1O	ZINC000116870039	671659977	/nfs/dbraw/zinc/65/99/77/671659977.db2.gz	CVGIUZAVVJBIDJ-HNNXBMFYSA-N	1	0	354.472	1.643	20	30		FDEDRO
C[N@H+](CCCOc1ccc(C#N)cc1)C1CCN(S(C)(=O)=O)CC1	ZINC000121565226	671706942	/nfs/dbraw/zinc/70/69/42/671706942.db2.gz	JZPVSLPGHRKSIJ-UHFFFAOYSA-N	1	0	351.472	1.683	20	30		FDEDRO
C[NH+]=C(NCCOCc1ccc(Cl)cc1)NCCN1CCOCC1	ZINC000124873828	671742090	/nfs/dbraw/zinc/74/20/90/671742090.db2.gz	QSPMYGIRVVMEDB-UHFFFAOYSA-N	1	0	354.882	1.354	20	30		FDEDRO
C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N[C@@H]1C[C@](C)(OC)C1(C)C	ZINC000127609070	671770972	/nfs/dbraw/zinc/77/09/72/671770972.db2.gz	NNSNIFGWNMACBX-PBHICJAKSA-N	1	0	374.551	1.027	20	30		FDEDRO
CCc1cnc(CNC(N[C@H]2CCCN(c3cnn(C)c3)C2)=[NH+]C)s1	ZINC000130650194	671796279	/nfs/dbraw/zinc/79/62/79/671796279.db2.gz	KVZWZSAWXVOMAK-ZDUSSCGKSA-N	1	0	361.519	1.773	20	30		FDEDRO
Cc1cccc(NC(=[NH2+])NC[C@H](O)CS(=O)(=O)c2cccs2)c1	ZINC000130777585	671797722	/nfs/dbraw/zinc/79/77/22/671797722.db2.gz	YLBMPJMMNRCJIP-ZDUSSCGKSA-N	1	0	353.469	1.618	20	30		FDEDRO
C#CCSCCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000152890976	671891757	/nfs/dbraw/zinc/89/17/57/671891757.db2.gz	HMWSEKDXKDRDDH-QZTJIDSGSA-N	1	0	361.511	1.535	20	30		FDEDRO
[NH2+]=C(NC[C@H]1CCCS1(=O)=O)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000153247852	671898591	/nfs/dbraw/zinc/89/85/91/671898591.db2.gz	WUDKCFHLODTOHG-OAHLLOKOSA-N	1	0	370.906	1.354	20	30		FDEDRO
C[NH+]=C(NCc1noc(C)n1)N1CCC(OC[C@H]2CCCCO2)CC1	ZINC000156137572	671951435	/nfs/dbraw/zinc/95/14/35/671951435.db2.gz	CTWNJUACURZNSI-OAHLLOKOSA-N	1	0	351.451	1.504	20	30		FDEDRO
C[NH+]=C(NCc1c(C)noc1C)NC[C@]1(N2CCOCC2)CCSC1	ZINC000156625001	671958178	/nfs/dbraw/zinc/95/81/78/671958178.db2.gz	RKRKAJIOYNZJTJ-QGZVFWFLSA-N	1	0	367.519	1.164	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1	ZINC000170918239	672048268	/nfs/dbraw/zinc/04/82/68/672048268.db2.gz	RUKMNWPJWISLIX-HUUCEWRRSA-N	1	0	352.479	1.936	20	30		FDEDRO
C#CCCCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1	ZINC000173527577	672081940	/nfs/dbraw/zinc/08/19/40/672081940.db2.gz	QSOMFPGQMHXXKQ-UHFFFAOYSA-N	1	0	351.834	1.749	20	30		FDEDRO
C#CCCCNC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C	ZINC000178275886	672138315	/nfs/dbraw/zinc/13/83/15/672138315.db2.gz	VKWXECMLENVMGQ-UHFFFAOYSA-N	1	0	365.499	1.368	20	30		FDEDRO
C[NH+]=C(NCC1CCOCC1)N[C@@H]1CCN(c2ncccc2Cl)C1	ZINC000179211157	672156185	/nfs/dbraw/zinc/15/61/85/672156185.db2.gz	ZMTDXPWXCRWJCA-CQSZACIVSA-N	1	0	351.882	1.905	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@@H](C)c3cccs3)CC2)o1	ZINC000182561263	672214248	/nfs/dbraw/zinc/21/42/48/672214248.db2.gz	BURRBIXPHRQSBA-LBPRGKRZSA-N	1	0	359.455	1.916	20	30		FDEDRO
CN([C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1)S(=O)(=O)CCCC#N	ZINC000246068303	672483963	/nfs/dbraw/zinc/48/39/63/672483963.db2.gz	BORNBDHACQRQRF-QZTJIDSGSA-N	1	0	370.563	1.889	20	30		FDEDRO
COCC[N@H+]1[C@H](C)CN([C@H](C)C(=O)NC2(C#N)CCCCC2)C[C@@H]1C	ZINC000246868345	672520231	/nfs/dbraw/zinc/52/02/31/672520231.db2.gz	WFVYTIVVFIAKHA-IXDOHACOSA-N	1	0	350.507	1.759	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NCC2CCN(S(C)(=O)=O)CC2)cc1OC	ZINC000261701426	672654128	/nfs/dbraw/zinc/65/41/28/672654128.db2.gz	TWMGREJQWQXKBL-UHFFFAOYSA-N	1	0	370.475	1.102	20	30		FDEDRO
C[NH+]=C(NCC1(O)CCCC1)N1CCC(OC[C@H]2CCCCO2)CC1	ZINC000261722212	672658505	/nfs/dbraw/zinc/65/85/05/672658505.db2.gz	KWKSJUAETVSUOX-QGZVFWFLSA-N	1	0	353.507	1.917	20	30		FDEDRO
C[NH+]=C(NCCc1ccsc1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1	ZINC000261782602	672671536	/nfs/dbraw/zinc/67/15/36/672671536.db2.gz	PLXYHGBLRHWQCX-KRWDZBQOSA-N	1	0	363.487	1.176	20	30		FDEDRO
C[NH+]=C(NC[C@]1(N2CCOCC2)CCSC1)N[C@@H]1C[C@H](OC)C1(C)C	ZINC000261808275	672675190	/nfs/dbraw/zinc/67/51/90/672675190.db2.gz	PPCWWESMVGMEIC-RVKKMQEKSA-N	1	0	370.563	1.173	20	30		FDEDRO
C[NH+]=C(NCCN1CCSCC1)N1CCN([C@@H](C)C(F)(F)F)CC1	ZINC000261859819	672684473	/nfs/dbraw/zinc/68/44/73/672684473.db2.gz	NCZQRZJLGWVIFH-ZDUSSCGKSA-N	1	0	367.485	1.179	20	30		FDEDRO
CNS(=O)(=O)c1cccc(CNC(=[NH+]C)N(C)Cc2cccn2C)c1	ZINC000261992278	672707918	/nfs/dbraw/zinc/70/79/18/672707918.db2.gz	ROSQCBIRNBDVBC-UHFFFAOYSA-N	1	0	363.487	1.141	20	30		FDEDRO
C[NH+]=C(NCc1cc(C)c(O)c(C)c1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000262002854	672710180	/nfs/dbraw/zinc/71/01/80/672710180.db2.gz	UVXQCNYBLICLHD-UHFFFAOYSA-N	1	0	353.488	1.593	20	30		FDEDRO
C[NH+]=C(NCCN1CCc2sccc2C1)NC1CCN(C(C)=O)CC1	ZINC000262165598	672739209	/nfs/dbraw/zinc/73/92/09/672739209.db2.gz	BSHLXWAKPBWOJM-UHFFFAOYSA-N	1	0	363.531	1.282	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCS[C@@H](C(C)C)C1	ZINC000262326635	672770289	/nfs/dbraw/zinc/77/02/89/672770289.db2.gz	AEYQOWHBRPCRDQ-LSDHHAIUSA-N	1	0	361.577	1.849	20	30		FDEDRO
CSc1ccc(F)cc1CNC(=[NH2+])N1CCN(c2ncccn2)CC1	ZINC000262366481	672777416	/nfs/dbraw/zinc/77/74/16/672777416.db2.gz	DSGZANBUFXUXTB-UHFFFAOYSA-N	1	0	360.462	1.975	20	30		FDEDRO
C#CCNC(N[C@@H]1CCOc2ccccc21)=[NH+]C[C@@H]1CCS(=O)(=O)C1	ZINC000262387237	672781143	/nfs/dbraw/zinc/78/11/43/672781143.db2.gz	LPBPNNHLMGSCOE-GOEBONIOSA-N	1	0	361.467	1.113	20	30		FDEDRO
NS(=O)(=O)c1ccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)s1	ZINC000262422095	672786877	/nfs/dbraw/zinc/78/68/77/672786877.db2.gz	AUXQIPMIEGMCQA-LBPRGKRZSA-N	1	0	366.468	1.324	20	30		FDEDRO
CC(C)C[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCC2(C1)CCOCC2	ZINC000262431211	672788492	/nfs/dbraw/zinc/78/84/92/672788492.db2.gz	SNCAPKRLQGITML-MRXNPFEDSA-N	1	0	371.547	1.525	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(=[NH+]C[C@@H]2CCOC2)N2CC[C@H](C3CC3)C2)C1	ZINC000262436923	672789243	/nfs/dbraw/zinc/78/92/43/672789243.db2.gz	TZPONYCIOILMCV-UXLLHSPISA-N	1	0	369.531	1.135	20	30		FDEDRO
CN(Cc1ccon1)C(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CCCC1	ZINC000262448682	672791199	/nfs/dbraw/zinc/79/11/99/672791199.db2.gz	VQABWAUUORGPKM-ZDUSSCGKSA-N	1	0	354.476	1.429	20	30		FDEDRO
C[C@@H]1C[C@H](C)CN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C[C@@H]2CCOC2)C1	ZINC000262452836	672792271	/nfs/dbraw/zinc/79/22/71/672792271.db2.gz	WGKVPJKWPQIWPE-YVSFHVDLSA-N	1	0	371.547	1.381	20	30		FDEDRO
C[C@@H]1CCN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C[C@@H]2CCOC2)C[C@@H]1C	ZINC000262457488	672793089	/nfs/dbraw/zinc/79/30/89/672793089.db2.gz	WXVKGRQOHJNUOV-QZWWFDLISA-N	1	0	371.547	1.381	20	30		FDEDRO
CC(C)C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@]2(CCOC2)C1	ZINC000262461347	672793300	/nfs/dbraw/zinc/79/33/00/672793300.db2.gz	XPJYNPDKWFJAAC-RDJZCZTQSA-N	1	0	357.520	1.135	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(NC2CCN(C(C)=O)CC2)=[NH+]C)C12CCCC2	ZINC000262485892	672797389	/nfs/dbraw/zinc/79/73/89/672797389.db2.gz	WMXZDTGECXDJJB-DLBZAZTESA-N	1	0	350.507	1.900	20	30		FDEDRO
Cc1nc(CN2CCC(CNC(=[NH2+])N3CCSCC3)CC2)oc1C	ZINC000262510043	672800951	/nfs/dbraw/zinc/80/09/51/672800951.db2.gz	CWLAAXZWEMMWPU-UHFFFAOYSA-N	1	0	351.520	1.867	20	30		FDEDRO
CCc1ccc(NC(=[NH2+])NCCS(=O)(=O)N2CCSCC2)cc1	ZINC000262525606	672803006	/nfs/dbraw/zinc/80/30/06/672803006.db2.gz	KTVFURZKZHXKRM-UHFFFAOYSA-N	1	0	356.517	1.354	20	30		FDEDRO
Cc1ccc(NC(=[NH2+])NCCS(=O)(=O)N2CCSCC2)cc1C	ZINC000262546875	672805677	/nfs/dbraw/zinc/80/56/77/672805677.db2.gz	VPWNRORNWKZQHE-UHFFFAOYSA-N	1	0	356.517	1.409	20	30		FDEDRO
CC(C)(C)NC(=[NH2+])NCCNS(=O)(=O)c1cccc(Cl)c1Cl	ZINC000262645999	672824607	/nfs/dbraw/zinc/82/46/07/672824607.db2.gz	JAZJKQHXCLZNGN-UHFFFAOYSA-N	1	0	367.302	1.975	20	30		FDEDRO
CS(=O)(=O)N1CCCC[C@H]1CNC(=[NH2+])Nc1ccc2c(c1)CCC2	ZINC000262664833	672827851	/nfs/dbraw/zinc/82/78/51/672827851.db2.gz	OGQYHMBUOOTLNY-INIZCTEOSA-N	1	0	350.488	1.716	20	30		FDEDRO
C[C@H]1CCCN(S(=O)(=O)c2ccc(CNC3=[NH+]CCN3C)cc2)C1	ZINC000262674130	672828740	/nfs/dbraw/zinc/82/87/40/672828740.db2.gz	SJYJIPWPZUHBIL-AWEZNQCLSA-N	1	0	350.488	1.498	20	30		FDEDRO
C[C@@H]1C[NH+]=C(NCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)N1	ZINC000262683001	672829985	/nfs/dbraw/zinc/82/99/85/672829985.db2.gz	XBANEPDDGJOOGZ-UONOGXRCSA-N	1	0	350.488	1.545	20	30		FDEDRO
N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC(OCCC[NH3+])CC1	ZINC000262760959	672843534	/nfs/dbraw/zinc/84/35/34/672843534.db2.gz	RHQZUWATZZNCSA-UHFFFAOYSA-N	1	0	357.863	1.730	20	30		FDEDRO
COc1ccccc1CNC(=[NH2+])NC[C@@H]1CS(=O)(=O)c2ccccc21	ZINC000263057232	672860310	/nfs/dbraw/zinc/86/03/10/672860310.db2.gz	FBKGJLOHFMIREX-CQSZACIVSA-N	1	0	359.451	1.671	20	30		FDEDRO
CN(CCN(C)S(=O)(=O)Cc1ccc(C#N)cc1)C1CC[NH+](C)CC1	ZINC000288901182	676070019	/nfs/dbraw/zinc/07/00/19/676070019.db2.gz	QHUKFOFOLSMCHO-UHFFFAOYSA-N	1	0	364.515	1.346	20	30		FDEDRO
C[NH+]=C(NCC[C@](O)(c1nccn1C)C(F)(F)F)NCc1ccco1	ZINC000264037315	672898908	/nfs/dbraw/zinc/89/89/08/672898908.db2.gz	HELOSWFPTYEILP-AWEZNQCLSA-N	1	0	359.352	1.518	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1ccc(OC(F)(F)F)cc1	ZINC000264063467	672899781	/nfs/dbraw/zinc/89/97/81/672899781.db2.gz	DHZWIGREYWGSLB-UHFFFAOYSA-N	1	0	360.380	1.712	20	30		FDEDRO
CN(C)[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)c1ccc(F)cc1	ZINC000264091575	672901130	/nfs/dbraw/zinc/90/11/30/672901130.db2.gz	LCBKPWSSUNDUIT-KRWDZBQOSA-N	1	0	351.470	1.055	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cccc(S(=O)(=O)N(C)OC)c2)CC1	ZINC000264510991	672915479	/nfs/dbraw/zinc/91/54/79/672915479.db2.gz	UASNOIOOWKTWJK-UHFFFAOYSA-N	1	0	367.471	1.249	20	30		FDEDRO
C=C(C)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1	ZINC000264517576	672916390	/nfs/dbraw/zinc/91/63/90/672916390.db2.gz	VORIFPURWJDGFZ-UHFFFAOYSA-N	1	0	354.432	1.695	20	30		FDEDRO
CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)Cc2cccc(C#N)c2)CC1	ZINC000266188336	673075842	/nfs/dbraw/zinc/07/58/42/673075842.db2.gz	MKBXHGGQMKNIGF-INIZCTEOSA-N	1	0	364.515	1.251	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1	ZINC000289126780	676096749	/nfs/dbraw/zinc/09/67/49/676096749.db2.gz	DROBKTSMRSUXFE-SFHVURJKSA-N	1	0	363.483	1.367	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)C(C)(C)C	ZINC000266911136	673214313	/nfs/dbraw/zinc/21/43/13/673214313.db2.gz	SMIIGNTWMJBJEF-UPTRSRDDSA-N	1	0	350.463	1.386	20	30		FDEDRO
COCCCS(=O)(=O)NCC[N@H+](Cc1ccc(C#N)cc1)C(C)C	ZINC000267041429	673239200	/nfs/dbraw/zinc/23/92/00/673239200.db2.gz	OYVRKVXNRIRUFW-UHFFFAOYSA-N	1	0	353.488	1.725	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@](C)(O)c2ccsc2)CC1	ZINC000267403842	673299995	/nfs/dbraw/zinc/29/99/95/673299995.db2.gz	GPIFABFIBSOMTC-INIZCTEOSA-N	1	0	354.476	1.481	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000282332585	675623557	/nfs/dbraw/zinc/62/35/57/675623557.db2.gz	QBMKBIYLPVVQHH-RYRKJORJSA-N	1	0	364.515	1.965	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1	ZINC000282803167	675641676	/nfs/dbraw/zinc/64/16/76/675641676.db2.gz	YOYZSUUNDSYSOU-LSDHHAIUSA-N	1	0	370.544	1.886	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(F)ccc1OC(F)F	ZINC000293398414	676349579	/nfs/dbraw/zinc/34/95/79/676349579.db2.gz	OFLZJAYIBZMWHK-UHFFFAOYSA-N	1	0	357.332	1.437	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(Br)cc1C#N	ZINC000294597569	676391049	/nfs/dbraw/zinc/39/10/49/676391049.db2.gz	LVSCOXAUIWWJOD-LBPRGKRZSA-N	1	0	365.275	1.686	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NCCC[N@@H+](C)C(C)C)ccc1F	ZINC000298397876	676458586	/nfs/dbraw/zinc/45/85/86/676458586.db2.gz	LBKBGBCVIFIZEO-UHFFFAOYSA-N	1	0	371.478	1.750	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@](C)(O)c2cccs2)CC1	ZINC000304781418	676544582	/nfs/dbraw/zinc/54/45/82/676544582.db2.gz	GGNQLJKZDSPHTC-KRWDZBQOSA-N	1	0	368.503	1.823	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCCCO[C@@H]2CCOC2)CC1	ZINC000305014881	676544852	/nfs/dbraw/zinc/54/48/52/676544852.db2.gz	LRLMDIIJNZPJDX-CQSZACIVSA-N	1	0	356.467	1.049	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCCCN2CCOCC2)c(Cl)c1	ZINC000305090555	676544861	/nfs/dbraw/zinc/54/48/61/676544861.db2.gz	PKEHLHGJTDTXKQ-UHFFFAOYSA-N	1	0	354.882	1.518	20	30		FDEDRO
CNS(=O)(=O)c1cccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1	ZINC000328658974	676600935	/nfs/dbraw/zinc/60/09/35/676600935.db2.gz	RYNMGJICVYOLLY-HUUCEWRRSA-N	1	0	352.460	1.357	20	30		FDEDRO
Cc1nc(CCNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cs1	ZINC000328833359	676608792	/nfs/dbraw/zinc/60/87/92/676608792.db2.gz	RTTHROLJULOSNZ-HNNXBMFYSA-N	1	0	352.504	1.952	20	30		FDEDRO
NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CCOCC23CCCC3)c1	ZINC000328910104	676611899	/nfs/dbraw/zinc/61/18/99/676611899.db2.gz	FGUXOTGIQMSJAJ-UHFFFAOYSA-N	1	0	367.471	1.957	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CSCN1C(=O)C1CCCC1	ZINC000329189646	676624221	/nfs/dbraw/zinc/62/42/21/676624221.db2.gz	RODPQBWUDXJFCA-ZBFHGGJFSA-N	1	0	368.547	1.671	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)CN2CCN(CC(F)(F)F)C(=O)C2)CC1	ZINC000329195019	676624514	/nfs/dbraw/zinc/62/45/14/676624514.db2.gz	TYQUGDZPDDHJIO-UHFFFAOYSA-N	1	0	364.412	1.522	20	30		FDEDRO
CS(=O)(=O)c1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cn1	ZINC000329208842	676625257	/nfs/dbraw/zinc/62/52/57/676625257.db2.gz	BVYGRICMICFJIF-CQSZACIVSA-N	1	0	352.460	1.591	20	30		FDEDRO
CS[C@@H]1CN(CC(=O)N[C@H](C)C(=O)N2CCCCC2)C[C@H]1[NH+](C)C	ZINC000329216155	676625945	/nfs/dbraw/zinc/62/59/45/676625945.db2.gz	NZFZUQFHCKCJQL-RBSFLKMASA-N	1	0	356.536	1.321	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)NC[C@@H]2CCCS(=O)(=O)C2)CCCCCC1	ZINC000329224027	676626501	/nfs/dbraw/zinc/62/65/01/676626501.db2.gz	YYQOSUPLHMJSER-HNNXBMFYSA-N	1	0	359.536	1.969	20	30		FDEDRO
CC[C@@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)C[C@H](C)S1(=O)=O	ZINC000329231475	676627192	/nfs/dbraw/zinc/62/71/92/676627192.db2.gz	KROZVEHINFQVKD-ARFHVFGLSA-N	1	0	359.536	1.918	20	30		FDEDRO
O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1cccc(CN2CCOCC2)c1	ZINC000329286727	676630985	/nfs/dbraw/zinc/63/09/85/676630985.db2.gz	PLCGNZBPEYZDCQ-HNNXBMFYSA-N	1	0	352.456	1.932	20	30		FDEDRO
CC1CC[NH+](C[C@H](O)CNC(=O)[C@H]2COCCN2C2CCCC2)CC1	ZINC000329288808	676631145	/nfs/dbraw/zinc/63/11/45/676631145.db2.gz	PWDMCQFQPRYXAU-QZTJIDSGSA-N	1	0	353.507	1.679	20	30		FDEDRO
CN(C)C(=O)CC1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1	ZINC000329329881	676633315	/nfs/dbraw/zinc/63/33/15/676633315.db2.gz	YSDNULFCZJOWIL-QGZVFWFLSA-N	1	0	356.536	1.528	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1CSCN1C(=O)C1CCCC1	ZINC000329342977	676633979	/nfs/dbraw/zinc/63/39/79/676633979.db2.gz	CCOJOMTYQRQWSI-CABCVRRESA-N	1	0	354.520	1.280	20	30		FDEDRO
C[C@H](O)CN1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1	ZINC000329369095	676635822	/nfs/dbraw/zinc/63/58/22/676635822.db2.gz	IETKWCYYECUKPU-WMZOPIPTSA-N	1	0	352.523	1.696	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)CCN1C(=O)CSc2ccccc21	ZINC000329384653	676636477	/nfs/dbraw/zinc/63/64/77/676636477.db2.gz	RSPPFPHFUXRACQ-CQSZACIVSA-N	1	0	362.499	1.718	20	30		FDEDRO
Cc1sc2ncn(CC(=O)NC[C@@H]3C[N@@H+](C)CCN3C)c(=O)c2c1C	ZINC000329389189	676636707	/nfs/dbraw/zinc/63/67/07/676636707.db2.gz	UITDKMRONKOSMW-CYBMUJFWSA-N	1	0	363.487	1.277	20	30		FDEDRO
Cc1noc(C(C)(C)NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)n1	ZINC000329466275	676639746	/nfs/dbraw/zinc/63/97/46/676639746.db2.gz	VXXNFDUDPKNIKU-KGLIPLIRSA-N	1	0	351.451	1.495	20	30		FDEDRO
CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1nc(CN2CCOCC2)cs1	ZINC000329527817	676642757	/nfs/dbraw/zinc/64/27/57/676642757.db2.gz	HYGSFELPKJJXAK-OAHLLOKOSA-N	1	0	367.519	1.793	20	30		FDEDRO
Cc1nnc(CCNC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)s1	ZINC000329629022	676646839	/nfs/dbraw/zinc/64/68/39/676646839.db2.gz	UVCOXKNRKIOWSN-GFCCVEGCSA-N	1	0	353.492	1.488	20	30		FDEDRO
CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1	ZINC000329717302	676651333	/nfs/dbraw/zinc/65/13/33/676651333.db2.gz	XLVPNLCMXLHSDT-LSDHHAIUSA-N	1	0	372.535	1.131	20	30		FDEDRO
C[NH+](C)[C@@]1(CNC(=O)N2CCOCC3(CCOCC3)C2)CCSC1	ZINC000329758408	676653280	/nfs/dbraw/zinc/65/32/80/676653280.db2.gz	NNOQLKXXOJSULJ-QGZVFWFLSA-N	1	0	357.520	1.467	20	30		FDEDRO
Cc1nnc([C@H](C)NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)s1	ZINC000329768136	676654244	/nfs/dbraw/zinc/65/42/44/676654244.db2.gz	DLZAHZAZEFGKOF-ZLKJLUDKSA-N	1	0	353.492	1.789	20	30		FDEDRO
CCc1nsc(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)n1	ZINC000329774331	676654891	/nfs/dbraw/zinc/65/48/91/676654891.db2.gz	MDQIDZUQYBGXQI-KGLIPLIRSA-N	1	0	364.519	1.763	20	30		FDEDRO
CN1CC[NH+](CC2(C)CCN(C(=O)NCc3nccs3)CC2)CC1	ZINC000329789960	676656365	/nfs/dbraw/zinc/65/63/65/676656365.db2.gz	STRWDTMXSPHFHZ-UHFFFAOYSA-N	1	0	351.520	1.907	20	30		FDEDRO
CO[C@H]1C[C@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)N(S(C)(=O)=O)C1	ZINC000329843883	676660398	/nfs/dbraw/zinc/66/03/98/676660398.db2.gz	LDKVAFBFJDJCAG-OLMTUDMXSA-N	1	0	359.492	1.007	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](CC3CCC3)NC(C)=O)C2)CC1	ZINC000329883658	676662092	/nfs/dbraw/zinc/66/20/92/676662092.db2.gz	RHBACIRZNNWEFF-QZTJIDSGSA-N	1	0	350.507	1.760	20	30		FDEDRO
CN(Cc1nc2c(s1)CCCC2)C(=O)NC[C@H]1C[N@H+](C)CCN1C	ZINC000330035528	676669578	/nfs/dbraw/zinc/66/95/78/676669578.db2.gz	XMGHMJIGHSFGLN-ZDUSSCGKSA-N	1	0	351.520	1.614	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CCSC1	ZINC000330050699	676670520	/nfs/dbraw/zinc/67/05/20/676670520.db2.gz	MDVYJAXFVFJMFR-IYOUNJFTSA-N	1	0	367.515	1.946	20	30		FDEDRO
C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2	ZINC000330218387	676679365	/nfs/dbraw/zinc/67/93/65/676679365.db2.gz	OQXWEXQDSAZLBH-ZHCJQAHYSA-N	1	0	351.491	1.635	20	30		FDEDRO
COCCN1CCN(C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)C[C@@H]1C	ZINC000330235602	676680073	/nfs/dbraw/zinc/68/00/73/676680073.db2.gz	TYUOPNYCRCKSHH-ZMSDIMECSA-N	1	0	357.520	1.608	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[NH+](CC2CCCCC2)CC1	ZINC000330371065	676685699	/nfs/dbraw/zinc/68/56/99/676685699.db2.gz	HMSKIEYFIMNMRB-MRXNPFEDSA-N	1	0	356.536	1.911	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O	ZINC000330719850	676702052	/nfs/dbraw/zinc/70/20/52/676702052.db2.gz	FPWYLGXPZXMQHN-QXSJWSMHSA-N	1	0	374.551	1.471	20	30		FDEDRO
COc1ncnc(N(C)C)c1NC(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1	ZINC000330806152	676704792	/nfs/dbraw/zinc/70/47/92/676704792.db2.gz	HGTKZAMPMNYYSM-WDEREUQCSA-N	1	0	354.480	1.074	20	30		FDEDRO
CN1CC[NH+](CC2(C)CCN(S(=O)(=O)CCCCC#N)CC2)CC1	ZINC000330869516	676707401	/nfs/dbraw/zinc/70/74/01/676707401.db2.gz	WYJNYCORXBZVFA-UHFFFAOYSA-N	1	0	356.536	1.360	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1	ZINC000330905022	676709134	/nfs/dbraw/zinc/70/91/34/676709134.db2.gz	USWOTJQUPQYZMF-UKRRQHHQSA-N	1	0	356.517	1.811	20	30		FDEDRO
C[C@@H]1CN(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)C[C@H](CO)O1	ZINC000330954892	676710951	/nfs/dbraw/zinc/71/09/51/676710951.db2.gz	GWSZDHSTQJICIU-BXUZGUMPSA-N	1	0	350.419	1.259	20	30		FDEDRO
CNS(=O)(=O)c1cccc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1	ZINC000331114447	676717336	/nfs/dbraw/zinc/71/73/36/676717336.db2.gz	UWHJSKQIBMSWCP-HNNXBMFYSA-N	1	0	357.501	1.337	20	30		FDEDRO
CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ncccc2S(C)(=O)=O)C1	ZINC000331137321	676718141	/nfs/dbraw/zinc/71/81/41/676718141.db2.gz	JDXPXKBYXPBLPU-ZDUSSCGKSA-N	1	0	354.476	1.173	20	30		FDEDRO
CNS(=O)(=O)c1ccc(NC(=O)N[C@H](C)C[NH+]2CCCCC2)nc1	ZINC000331177682	676720251	/nfs/dbraw/zinc/72/02/51/676720251.db2.gz	QLIJSUYIBNJHLG-GFCCVEGCSA-N	1	0	355.464	1.190	20	30		FDEDRO
CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)NCC2([NH+](C)C)CCCC2)C1	ZINC000331222435	676722748	/nfs/dbraw/zinc/72/27/48/676722748.db2.gz	VRPRFTXXGNOCLE-CQSZACIVSA-N	1	0	360.524	1.177	20	30		FDEDRO
CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](S(N)(=O)=O)C2)C1	ZINC000331272933	676725103	/nfs/dbraw/zinc/72/51/03/676725103.db2.gz	CJDARRLVPSMAQE-KGLIPLIRSA-N	1	0	360.524	1.164	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)C[C@@H]1C	ZINC000331287654	676725585	/nfs/dbraw/zinc/72/55/85/676725585.db2.gz	NWUVKQAPTFLELH-ZFWWWQNUSA-N	1	0	368.503	1.945	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@@H](C[NH+]2CCCCCC2)C1	ZINC000332249199	676738417	/nfs/dbraw/zinc/73/84/17/676738417.db2.gz	XQDKYEYXQMLYFZ-IRXDYDNUSA-N	1	0	350.507	1.975	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1	ZINC000332383265	676741128	/nfs/dbraw/zinc/74/11/28/676741128.db2.gz	GMVWWDJEZWWLEN-KFWWJZLASA-N	1	0	360.549	1.224	20	30		FDEDRO
COC(=O)[C@@H]1CN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@H+](C)C1	ZINC000416733191	679717429	/nfs/dbraw/zinc/71/74/29/679717429.db2.gz	LLBVIYQOPJMQNH-LBPRGKRZSA-N	1	0	350.806	1.780	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(OC[C@@H]2CCCCO2)CC1	ZINC000361017315	676881490	/nfs/dbraw/zinc/88/14/90/676881490.db2.gz	GGCPBTYHODEXNT-HOCLYGCPSA-N	1	0	353.463	1.437	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CCCN(Cc2ncc(Cl)n2C)CC1	ZINC000363107612	676935438	/nfs/dbraw/zinc/93/54/38/676935438.db2.gz	LHCQMBLZTLIJIH-UHFFFAOYSA-N	1	0	366.897	1.343	20	30		FDEDRO
[NH3+]C[C@@H]1CN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCCO1	ZINC000416943293	679735202	/nfs/dbraw/zinc/73/52/02/679735202.db2.gz	KLVDASGQCGTQDH-OAHLLOKOSA-N	1	0	355.360	1.816	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN2CCOC[C@H]2C1)C(C)C	ZINC000364883129	677059808	/nfs/dbraw/zinc/05/98/08/677059808.db2.gz	OHEDQWCHPXEIQW-MSOLQXFVSA-N	1	0	350.507	1.411	20	30		FDEDRO
C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCC(C)(C)CC#N)C1	ZINC000422267722	680702771	/nfs/dbraw/zinc/70/27/71/680702771.db2.gz	YDPODGWCPZSNAX-HUUCEWRRSA-N	1	0	350.507	1.915	20	30		FDEDRO
O=C1NC(=O)[C@H]2CC[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C[C@H]12	ZINC000366336476	677434987	/nfs/dbraw/zinc/43/49/87/677434987.db2.gz	XLXRRRQOVMHRSR-KBPBESRZSA-N	1	0	352.312	1.531	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1	ZINC000366697603	677460891	/nfs/dbraw/zinc/46/08/91/677460891.db2.gz	HQGQYPQWAHMGTQ-KURKYZTESA-N	1	0	350.507	1.389	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccs2)CC1	ZINC000369757154	677514802	/nfs/dbraw/zinc/51/48/02/677514802.db2.gz	KEUUUPJJCUBCLA-YJBOKZPZSA-N	1	0	359.495	1.871	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1	ZINC000370179832	677550116	/nfs/dbraw/zinc/55/01/16/677550116.db2.gz	APIKJOGAAXXTTD-BRWVUGGUSA-N	1	0	356.536	1.909	20	30		FDEDRO
COCCC[N@@H+]1CCCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1	ZINC000370235987	677555545	/nfs/dbraw/zinc/55/55/45/677555545.db2.gz	NRZFUZCXUIZYBV-MRXNPFEDSA-N	1	0	362.499	1.769	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1	ZINC000371734664	677768405	/nfs/dbraw/zinc/76/84/05/677768405.db2.gz	OROHMDKNPZHVHB-ZBFHGGJFSA-N	1	0	355.504	1.246	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@]3(CCC[C@@H]3[NH3+])C2)c1	ZINC000372789308	677976677	/nfs/dbraw/zinc/97/66/77/677976677.db2.gz	XFUVWOPKMKOWQK-WMZOPIPTSA-N	1	0	363.483	1.494	20	30		FDEDRO
CC[NH+]1CCC(N(C2CC2)S(=O)(=O)N(CCC#N)CCOC)CC1	ZINC000374408082	678078513	/nfs/dbraw/zinc/07/85/13/678078513.db2.gz	FKCHBBBIAMKOQQ-UHFFFAOYSA-N	1	0	358.508	1.042	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1	ZINC000374416653	678078976	/nfs/dbraw/zinc/07/89/76/678078976.db2.gz	RUHSYVOPVHDLNY-HLLBOEOZSA-N	1	0	354.520	1.661	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1	ZINC000374627916	678088430	/nfs/dbraw/zinc/08/84/30/678088430.db2.gz	DQYQRUUBIQWASG-BHYGNILZSA-N	1	0	363.483	1.350	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@]2(F)CC[NH2+]C2)c1	ZINC000378210029	678717772	/nfs/dbraw/zinc/71/77/72/678717772.db2.gz	CNNNUOHBBCJROM-RZKQZQCBSA-N	1	0	368.434	1.140	20	30		FDEDRO
CS(=O)(=O)N1CCC(C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)CC1	ZINC000378459703	678748842	/nfs/dbraw/zinc/74/88/42/678748842.db2.gz	GWZLEVXATFTXMK-TWMKSMIVSA-N	1	0	355.504	1.487	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000409494009	678851562	/nfs/dbraw/zinc/85/15/62/678851562.db2.gz	YIYRXKIEBVQXED-OWCLPIDISA-N	1	0	356.536	1.955	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1	ZINC000409502392	678854171	/nfs/dbraw/zinc/85/41/71/678854171.db2.gz	PJKJZFHDZUGFBW-PVAVHDDUSA-N	1	0	372.535	1.070	20	30		FDEDRO
COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCCC2(C#N)CCOCC2)C1	ZINC000410333755	678889829	/nfs/dbraw/zinc/88/98/29/678889829.db2.gz	RBNKGXINNKWZKU-DLBZAZTESA-N	1	0	351.491	1.950	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OC)c1	ZINC000424165243	680831212	/nfs/dbraw/zinc/83/12/12/680831212.db2.gz	AJUZKCJGIXBOHG-JSGCOSHPSA-N	1	0	354.834	1.893	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1	ZINC000413447278	679268890	/nfs/dbraw/zinc/26/88/90/679268890.db2.gz	YBJCKRRPZNSDCG-QGZVFWFLSA-N	1	0	352.523	1.827	20	30		FDEDRO
C=CCn1c(SC[C@@H](O)CN(C)CCC#N)nc2sccc2c1=O	ZINC000414096991	679330294	/nfs/dbraw/zinc/33/02/94/679330294.db2.gz	MNNFTFLKRGJDOU-LBPRGKRZSA-N	1	0	364.496	1.942	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1	ZINC000414892589	679372805	/nfs/dbraw/zinc/37/28/05/679372805.db2.gz	JITGWQUUCYJGGO-ZIAGYGMSSA-N	1	0	366.487	1.694	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCCC[C@@H]2C[NH3+])cc1	ZINC000414896116	679373137	/nfs/dbraw/zinc/37/31/37/679373137.db2.gz	OFYQWPVBUQUFCQ-OAHLLOKOSA-N	1	0	366.487	1.838	20	30		FDEDRO
N#Cc1ccc(CSc2nnc(NC(=O)N3CC[C@@H]([NH3+])C3)s2)cc1	ZINC000414906139	679373637	/nfs/dbraw/zinc/37/36/37/679373637.db2.gz	BXSSVXSUDSUUEL-GFCCVEGCSA-N	1	0	360.468	2.267	20	30		FDEDRO
C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000415341467	679411436	/nfs/dbraw/zinc/41/14/36/679411436.db2.gz	HCNPCIMTEAFTLF-SECBINFHSA-N	1	0	356.304	1.216	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)ccc1Br	ZINC000415370971	679417007	/nfs/dbraw/zinc/41/70/07/679417007.db2.gz	DZKDDFDEGXYIPM-NSHDSACASA-N	1	0	351.204	1.127	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC[C@H]1[NH3+]	ZINC000415433242	679430127	/nfs/dbraw/zinc/43/01/27/679430127.db2.gz	AELMIKYYCKMISB-MWLCHTKSSA-N	1	0	352.341	1.294	20	30		FDEDRO
C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1	ZINC000415469529	679435655	/nfs/dbraw/zinc/43/56/55/679435655.db2.gz	XNVUYYIURRETOU-BXUZGUMPSA-N	1	0	358.833	2.517	20	30		FDEDRO
N#CCc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c(Cl)c1	ZINC000415746396	679491165	/nfs/dbraw/zinc/49/11/65/679491165.db2.gz	USPADZQZMFBRAX-XJKSGUPXSA-N	1	0	360.845	1.849	20	30		FDEDRO
N#CCCSc1ccccc1NC(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1	ZINC000415756196	679493757	/nfs/dbraw/zinc/49/37/57/679493757.db2.gz	AVANEGOAXTYJBF-ZIAGYGMSSA-N	1	0	358.467	1.841	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@H]([NH3+])CC	ZINC000415788637	679502014	/nfs/dbraw/zinc/50/20/14/679502014.db2.gz	OOPJSZBVRVSEQC-LLVKDONJSA-N	1	0	370.247	1.806	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1	ZINC000415820086	679514274	/nfs/dbraw/zinc/51/42/74/679514274.db2.gz	KJLTTYOMPATXJM-ZIAGYGMSSA-N	1	0	360.845	1.998	20	30		FDEDRO
C=C(CC)CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1	ZINC000418885753	680148898	/nfs/dbraw/zinc/14/88/98/680148898.db2.gz	JIKMDJWUVAUJFJ-CZUORRHYSA-N	1	0	351.397	1.609	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSCc2nc(C#N)cs2)C1	ZINC000419655325	680307998	/nfs/dbraw/zinc/30/79/98/680307998.db2.gz	VWIUHUYFIQCLNO-CQSZACIVSA-N	1	0	368.528	1.721	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)c1ccc(F)c(F)c1	ZINC000419672963	680314855	/nfs/dbraw/zinc/31/48/55/680314855.db2.gz	GWZGRDZZNXBTPT-GHJWDPDVSA-N	1	0	351.397	1.894	20	30		FDEDRO
C=C(C)[C@@H](NC(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1)c1ccc(F)c(F)c1	ZINC000419675379	680316353	/nfs/dbraw/zinc/31/63/53/680316353.db2.gz	KGXCGXAKWACFJB-BLLLJJGKSA-N	1	0	351.397	1.766	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N[C@H](CC[NH3+])C(F)F)ccc1C(F)(F)F	ZINC000420465931	680466085	/nfs/dbraw/zinc/46/60/85/680466085.db2.gz	QYKYTXMIOOYOOR-SNVBAGLBSA-N	1	0	357.304	1.838	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1	ZINC000430394991	681075109	/nfs/dbraw/zinc/07/51/09/681075109.db2.gz	QBFQKJLYGJAXEK-BBWFWOEESA-N	1	0	351.491	1.178	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1	ZINC000430406684	681075606	/nfs/dbraw/zinc/07/56/06/681075606.db2.gz	MLFZJXSROZIPSJ-XIRDDKMYSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c1	ZINC000440342691	681988387	/nfs/dbraw/zinc/98/83/87/681988387.db2.gz	SAVLKRJJEVUPHY-XJKSGUPXSA-N	1	0	351.472	1.493	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC([C@H](C)[NH3+])CC2)c1	ZINC000440353192	681990196	/nfs/dbraw/zinc/99/01/96/681990196.db2.gz	IAYOYZOVGROLOE-ZDUSSCGKSA-N	1	0	351.472	1.350	20	30		FDEDRO
CCCS(=O)(=O)N1CCC([NH2+]Cc2ccc(C#N)c(OC)c2)CC1	ZINC000440813168	682026853	/nfs/dbraw/zinc/02/68/53/682026853.db2.gz	WFYRVGNWWXPCNO-UHFFFAOYSA-N	1	0	351.472	1.861	20	30		FDEDRO
COC(=O)[C@@H](O)C1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1	ZINC000441242991	682063635	/nfs/dbraw/zinc/06/36/35/682063635.db2.gz	GQWYWPRNRDAVGN-AWEZNQCLSA-N	1	0	351.428	1.194	20	30		FDEDRO
Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC1CCC(C#N)CC1	ZINC000443228210	682255572	/nfs/dbraw/zinc/25/55/72/682255572.db2.gz	VFVLXLOMXKWOQC-UHFFFAOYSA-N	1	0	367.519	1.670	20	30		FDEDRO
C[NH+](C)[C@@]1(CNS(=O)(=O)c2ccc(Cl)cc2C#N)CCSC1	ZINC000443370068	682288048	/nfs/dbraw/zinc/28/80/48/682288048.db2.gz	HYMJKUYDUKCWMP-CQSZACIVSA-N	1	0	359.904	1.927	20	30		FDEDRO
N#Cc1c(NC(=O)C[NH2+][C@H](CO)[C@@H]2CCCO2)sc2c1CCCCC2	ZINC000447916087	682578225	/nfs/dbraw/zinc/57/82/25/682578225.db2.gz	NZVPBRJRRJRNFL-CABCVRRESA-N	1	0	363.483	1.957	20	30		FDEDRO
C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1	ZINC000448568991	682621645	/nfs/dbraw/zinc/62/16/45/682621645.db2.gz	NDPALUDUQYJOQO-CQSZACIVSA-N	1	0	360.845	1.729	20	30		FDEDRO
C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1	ZINC000448596751	682624057	/nfs/dbraw/zinc/62/40/57/682624057.db2.gz	HIKARQLGWVQDEW-ZDUSSCGKSA-N	1	0	360.845	1.775	20	30		FDEDRO
C[NH+](C)CCn1ccc(NC(=O)c2ccc(Br)cc2C#N)n1	ZINC000448829867	682639339	/nfs/dbraw/zinc/63/93/39/682639339.db2.gz	CMWQSYVEJUKUGK-UHFFFAOYSA-N	1	0	362.231	2.331	20	30		FDEDRO
CN(CC[N@H+](C)Cc1cc(C#N)cs1)c1ccc(S(N)(=O)=O)cc1	ZINC000449420775	682680936	/nfs/dbraw/zinc/68/09/36/682680936.db2.gz	GQFAZYBRFZAXLS-UHFFFAOYSA-N	1	0	364.496	1.835	20	30		FDEDRO
C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CCO1	ZINC000451206079	682840234	/nfs/dbraw/zinc/84/02/34/682840234.db2.gz	CKYJBCLGZWUFRB-CYBMUJFWSA-N	1	0	357.863	1.357	20	30		FDEDRO
N#CCc1ccc(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)c(Cl)c1	ZINC000451218347	682844120	/nfs/dbraw/zinc/84/41/20/682844120.db2.gz	BCXSFKSBLRHTAF-UHFFFAOYSA-N	1	0	371.890	1.531	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)CC(C)(C)CO	ZINC000451254461	682850973	/nfs/dbraw/zinc/85/09/73/682850973.db2.gz	OTGWXXJYUOGXPL-OAHLLOKOSA-N	1	0	364.515	1.407	20	30		FDEDRO
C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000453644095	683175170	/nfs/dbraw/zinc/17/51/70/683175170.db2.gz	QHFRIUGRCNEVBA-VXGBXAGGSA-N	1	0	363.849	1.924	20	30		FDEDRO
C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000453740273	683202061	/nfs/dbraw/zinc/20/20/61/683202061.db2.gz	OJBANMYMROSZAK-CQSZACIVSA-N	1	0	363.849	1.782	20	30		FDEDRO
CCOC[C@H]1CCCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000459694724	684444901	/nfs/dbraw/zinc/44/49/01/684444901.db2.gz	AHQAQOCRXPEVJI-MSOLQXFVSA-N	1	0	350.507	1.570	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)NCCCC[N@@H+]1CCC[C@H]1CO	ZINC000464415467	684742550	/nfs/dbraw/zinc/74/25/50/684742550.db2.gz	XFEJOYVGCVGZNP-HNNXBMFYSA-N	1	0	367.471	1.082	20	30		FDEDRO
CC#CCCCC(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1	ZINC000468309417	684899204	/nfs/dbraw/zinc/89/92/04/684899204.db2.gz	WEBFGIPBAPMQDS-UHFFFAOYSA-N	1	0	351.472	1.659	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1cc[nH]c(=O)c1Br	ZINC000468842573	684932968	/nfs/dbraw/zinc/93/29/68/684932968.db2.gz	FVZWGAVQAAOLJQ-UHFFFAOYSA-N	1	0	355.236	1.857	20	30		FDEDRO
C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1	ZINC000470053891	685001765	/nfs/dbraw/zinc/00/17/65/685001765.db2.gz	BLHWUFOWDRJUTM-RDTXWAMCSA-N	1	0	353.463	1.163	20	30		FDEDRO
C[C@H](CO)[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1	ZINC000470921857	685091442	/nfs/dbraw/zinc/09/14/42/685091442.db2.gz	XCJFTOBNXWFZRJ-GFCCVEGCSA-N	1	0	364.833	1.065	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)C1	ZINC000489518108	687103235	/nfs/dbraw/zinc/10/32/35/687103235.db2.gz	RMGJYEKXHNFQEF-OAHLLOKOSA-N	1	0	369.462	1.819	20	30		FDEDRO
N#CC1(F)CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1	ZINC000500128847	688042398	/nfs/dbraw/zinc/04/23/98/688042398.db2.gz	CWNJDXFKDCDDRD-CVEARBPZSA-N	1	0	352.454	1.792	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C)C[NH+]2CCCCC2)c1	ZINC000511164746	689479739	/nfs/dbraw/zinc/47/97/39/689479739.db2.gz	KDWDDJKUHOZRPZ-OAHLLOKOSA-N	1	0	365.499	1.755	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000514608381	689740782	/nfs/dbraw/zinc/74/07/82/689740782.db2.gz	SGIFUSYZHWMOBO-UHFFFAOYSA-N	1	0	358.895	1.373	20	30		FDEDRO
CCO[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)[C@]12CCCO2	ZINC000514856943	689776243	/nfs/dbraw/zinc/77/62/43/689776243.db2.gz	LMFXJKLFTUQGRR-KZNAEPCWSA-N	1	0	364.467	1.648	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1CCC(OCCC[NH3+])CC1	ZINC000520811130	690358244	/nfs/dbraw/zinc/35/82/44/690358244.db2.gz	ADPQPOJDDJKTBF-UHFFFAOYSA-N	1	0	353.444	1.085	20	30		FDEDRO
C=CC[C@]1(C(=O)Nc2cccc(S(=O)(=O)NCCOC)c2)CCC[NH2+]1	ZINC000638796666	695401059	/nfs/dbraw/zinc/40/10/59/695401059.db2.gz	HGRKZMFZBGHMFC-QGZVFWFLSA-N	1	0	367.471	1.248	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(S(C)(=O)=O)ccn2)CC1	ZINC000640554084	695597300	/nfs/dbraw/zinc/59/73/00/695597300.db2.gz	RDTRAIRWHNLIMQ-UHFFFAOYSA-N	1	0	352.460	1.647	20	30		FDEDRO
C=CCCn1cc(CNS(=O)(=O)c2cccc3c2CCN(C)C3)nn1	ZINC000641637912	696180157	/nfs/dbraw/zinc/18/01/57/696180157.db2.gz	SFLQNLHEIQQMQL-UHFFFAOYSA-N	1	0	361.471	1.321	20	30		FDEDRO
COC(=O)[C@H]1C[NH2+]CCN1C(F)(F)c1cc(Cl)nc(Cl)c1C#N	ZINC001164625771	719131489	/nfs/dbraw/zinc/13/14/89/719131489.db2.gz	YWABEGOKCOWKOU-SECBINFHSA-N	1	0	365.167	1.756	20	30		FDEDRO
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(C#N)cn2)CC1	ZINC001164818234	720285386	/nfs/dbraw/zinc/28/53/86/720285386.db2.gz	JSPFOZORFYSYQZ-ZWKOTPCHSA-N	1	0	353.470	1.865	20	30		FDEDRO
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(C#N)cn2)CC1	ZINC001164818233	720285436	/nfs/dbraw/zinc/28/54/36/720285436.db2.gz	JSPFOZORFYSYQZ-ROUUACIJSA-N	1	0	353.470	1.865	20	30		FDEDRO
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nccnc2C#N)CC1	ZINC001164819166	720292052	/nfs/dbraw/zinc/29/20/52/720292052.db2.gz	CMWKTFNWEHHEMX-IRXDYDNUSA-N	1	0	354.458	1.260	20	30		FDEDRO
COc1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)ncc1C#N	ZINC001164745019	720608775	/nfs/dbraw/zinc/60/87/75/720608775.db2.gz	UAUILBIBXMKPNZ-CABCVRRESA-N	1	0	352.398	1.094	20	30		FDEDRO
N#Cc1cc(Cl)cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1	ZINC001164743193	720677277	/nfs/dbraw/zinc/67/72/77/720677277.db2.gz	WWXXSDWOBVXKTA-LSDHHAIUSA-N	1	0	356.817	1.739	20	30		FDEDRO
N#CCc1cnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c(Cl)c1	ZINC001164748820	720794301	/nfs/dbraw/zinc/79/43/01/720794301.db2.gz	RNGLPZVHQAMIBP-HUUCEWRRSA-N	1	0	370.844	1.933	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3cc(C#N)cc(Cl)n3)CC[C@H]2C1	ZINC001164849141	720831143	/nfs/dbraw/zinc/83/11/43/720831143.db2.gz	OXHKHLLQKUASJU-LSDHHAIUSA-N	1	0	350.850	1.780	20	30		FDEDRO
C=CCNC(=O)c1cccnc1N1CC[C@H]2C[N@H+](CCOC)CCO[C@@H]2C1	ZINC001164854346	720874713	/nfs/dbraw/zinc/87/47/13/720874713.db2.gz	DXSFFBYTJSCMRV-FUHWJXTLSA-N	1	0	374.485	1.171	20	30		FDEDRO
COc1ccnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1C#N	ZINC001164869109	721075117	/nfs/dbraw/zinc/07/51/17/721075117.db2.gz	RPRMSKQVDJRYCP-SJORKVTESA-N	1	0	365.437	1.837	20	30		FDEDRO
Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc(Cl)c4C#N)C[C@H]3C2)cn1	ZINC001164761607	721092704	/nfs/dbraw/zinc/09/27/04/721092704.db2.gz	CCWFKIZHCWMJEM-ZIAGYGMSSA-N	1	0	357.849	1.693	20	30		FDEDRO
Cc1cnc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c(C#N)c1	ZINC001164870452	721263985	/nfs/dbraw/zinc/26/39/85/721263985.db2.gz	YZFDZDFTTUYCSM-UHFFFAOYSA-N	1	0	371.485	1.269	20	30		FDEDRO
CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncc(F)cc4C#N)C3)O2)CC1	ZINC001164884976	721391173	/nfs/dbraw/zinc/39/11/73/721391173.db2.gz	BIBOGFWHKIIDHY-UYAOXDASSA-N	1	0	373.476	1.858	20	30		FDEDRO
Cc1cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc(C#N)n1	ZINC001164888825	721417344	/nfs/dbraw/zinc/41/73/44/721417344.db2.gz	OSGUVCIIOQXSRX-PXNSSMCTSA-N	1	0	370.501	1.422	20	30		FDEDRO
Cc1nc(C#N)cc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1	ZINC001164891346	721450097	/nfs/dbraw/zinc/45/00/97/721450097.db2.gz	UMEQETGBSRYCPW-QUCCMNQESA-N	1	0	370.501	1.422	20	30		FDEDRO
COc1nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1C#N	ZINC001164898562	721522304	/nfs/dbraw/zinc/52/23/04/721522304.db2.gz	IWFTZFITMLAPJE-DOTOQJQBSA-N	1	0	369.400	1.838	20	30		FDEDRO
N#Cc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(C#N)c1	ZINC001164978222	722108342	/nfs/dbraw/zinc/10/83/42/722108342.db2.gz	NZFWTZYHCYHXJP-ICSRJNTNSA-N	1	0	374.448	1.947	20	30		FDEDRO
Cc1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cnc1C#N	ZINC001164979709	722135838	/nfs/dbraw/zinc/13/58/38/722135838.db2.gz	LUVFSCLWMFGCGK-PKOBYXMFSA-N	1	0	364.453	1.779	20	30		FDEDRO
Cc1ccc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc1C#N	ZINC001165000074	722252968	/nfs/dbraw/zinc/25/29/68/722252968.db2.gz	KUSFYMQVDYDQBF-UHFFFAOYSA-N	1	0	354.458	1.947	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1	ZINC000684787565	782265115	/nfs/dbraw/zinc/26/51/15/782265115.db2.gz	BZHBSBSGZUTVSP-PKOBYXMFSA-N	1	0	373.501	1.614	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)C[N@H+]4CC[C@@H](C)C4)[C@@H]3C2)cc1	ZINC001022724005	782640388	/nfs/dbraw/zinc/64/03/88/782640388.db2.gz	OVGUULTVPDTVAB-LSTHTHJFSA-N	1	0	365.477	1.683	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)CC)C[C@H]1C	ZINC001104223234	769046691	/nfs/dbraw/zinc/04/66/91/769046691.db2.gz	SSYCUWDKMFKZAN-BZUAXINKSA-N	1	0	359.536	1.355	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4CC45CCC5)[C@@H]3C2)CC1	ZINC000972177857	782728369	/nfs/dbraw/zinc/72/83/69/782728369.db2.gz	MATCUJNHNFTKSX-CEXWTWQISA-N	1	0	369.509	1.581	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1ncc3cc(C)cnc31)C2	ZINC001112472805	769438838	/nfs/dbraw/zinc/43/88/38/769438838.db2.gz	IKHODSHCELEXBH-PXNSSMCTSA-N	1	0	351.454	1.591	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1	ZINC000969312638	769843211	/nfs/dbraw/zinc/84/32/11/769843211.db2.gz	KOQUSRZWKQDCSY-XDNAFOTISA-N	1	0	361.486	1.121	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnc3c(c1)nnn3C)C2	ZINC001112475678	769918257	/nfs/dbraw/zinc/91/82/57/769918257.db2.gz	RMZCIHCRMQGAKV-KXBFYZLASA-N	1	0	352.442	1.219	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1ncc3cccnc31)C2	ZINC001112475733	769921242	/nfs/dbraw/zinc/92/12/42/769921242.db2.gz	UZHCMCVZCRKNJM-PXNSSMCTSA-N	1	0	351.454	1.673	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](NC(=O)c2cnc(C(C)C)s2)C1	ZINC001211498934	769941520	/nfs/dbraw/zinc/94/15/20/769941520.db2.gz	GYJKKEIPIVDQJB-HZSPNIEDSA-N	1	0	362.499	1.455	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1	ZINC000969397377	770080994	/nfs/dbraw/zinc/08/09/94/770080994.db2.gz	KUKSGCFRIXTHPF-OMWFQVSUSA-N	1	0	355.413	1.811	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+][C@@H]2CCCNC2=O)c1	ZINC001087210848	782814236	/nfs/dbraw/zinc/81/42/36/782814236.db2.gz	GFKAAMGOQBVEBH-FHLIZLRMSA-N	1	0	354.454	1.172	20	30		FDEDRO
Cc1ccc([C@@H](CN2CCOCC2)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)cc1	ZINC000511127032	782842909	/nfs/dbraw/zinc/84/29/09/782842909.db2.gz	SULJLECCFPRUAP-CTNGQTDRSA-N	1	0	370.497	1.766	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1	ZINC001020590083	770910214	/nfs/dbraw/zinc/91/02/14/770910214.db2.gz	LQGGVNQUGHBZSA-LUKYLMHMSA-N	1	0	358.417	1.158	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1	ZINC001022744350	782889395	/nfs/dbraw/zinc/88/93/95/782889395.db2.gz	DLMMFHFGSAWZHO-MUDKKEKZSA-N	1	0	355.438	1.871	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@@H](O)C1	ZINC000969899553	771050082	/nfs/dbraw/zinc/05/00/82/771050082.db2.gz	CZRQTUVPGPNCFG-ZACQAIPSSA-N	1	0	365.518	1.399	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cccnc2)C1=O	ZINC001087111038	771094963	/nfs/dbraw/zinc/09/49/63/771094963.db2.gz	OAYJQHJOAJKXPH-NJAFHUGGSA-N	1	0	356.470	1.699	20	30		FDEDRO
C[NH2+]Cc1c(C)nn(-c2nc3ccccc3nc2[C@H](C#N)C(=O)OC)c1C	ZINC001167098939	771151561	/nfs/dbraw/zinc/15/15/61/771151561.db2.gz	PLNQPLNOTLYCLE-ZDUSSCGKSA-N	1	0	364.409	1.932	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cccc3nsnc32)C1	ZINC000970016749	771204463	/nfs/dbraw/zinc/20/44/63/771204463.db2.gz	GICISDBUBGJDTE-FMKPAKJESA-N	1	0	358.467	1.973	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3ccccc3F)C2)C1=O	ZINC001020710845	771283417	/nfs/dbraw/zinc/28/34/17/771283417.db2.gz	BNSMHRZMYVRYSD-RFEVWBHWSA-N	1	0	371.456	1.953	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC(N)=O)C1	ZINC001104231547	771430517	/nfs/dbraw/zinc/43/05/17/771430517.db2.gz	FWNNJWSXYFLPSE-IJEWVQPXSA-N	1	0	364.490	1.412	20	30		FDEDRO
C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)NCC3(CC#N)CC3)cccc21	ZINC000430323336	771567018	/nfs/dbraw/zinc/56/70/18/771567018.db2.gz	RCJHKVMTHIFHBK-HNNXBMFYSA-N	1	0	356.426	1.820	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)Cn2ccc(C)n2)C[C@H]1C	ZINC001104239107	771585734	/nfs/dbraw/zinc/58/57/34/771585734.db2.gz	XIDGDEXAUCRMQS-ZIFCJYIRSA-N	1	0	360.502	1.552	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCC(CO)(Cc2ccccc2)CC1	ZINC000297455364	771680175	/nfs/dbraw/zinc/68/01/75/771680175.db2.gz	KFUWCRPCGSZQGV-UHFFFAOYSA-N	1	0	357.498	1.968	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(C(C)(C)C(=O)OC)CC2)CC1	ZINC000430376544	771711002	/nfs/dbraw/zinc/71/10/02/771711002.db2.gz	MDDPULLWUKKMDK-UHFFFAOYSA-N	1	0	366.506	1.306	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](Cc2nccn2C)C1	ZINC000430406677	771814310	/nfs/dbraw/zinc/81/43/10/771814310.db2.gz	MKSYVHKEXVTSEN-NUJGCVRESA-N	1	0	374.485	1.299	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]Cc2ccc(OC)nn2)CC1	ZINC001167273790	771846962	/nfs/dbraw/zinc/84/69/62/771846962.db2.gz	BVJKNAZCEDVYEN-CVEARBPZSA-N	1	0	360.458	1.452	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)N(C)CC2CC2)CC1	ZINC001167274189	771850466	/nfs/dbraw/zinc/85/04/66/771850466.db2.gz	LJCWYLHVAYFQMF-SJORKVTESA-N	1	0	363.502	1.322	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]CCCO[C@H]2CCOC2)CC1	ZINC001167277917	771857861	/nfs/dbraw/zinc/85/78/61/771857861.db2.gz	YKRFUSIUFXAOBD-KSZLIROESA-N	1	0	366.502	1.649	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NCCCOC)C1	ZINC001104249998	771998017	/nfs/dbraw/zinc/99/80/17/771998017.db2.gz	NUOLGTGYWKCLAH-FGTMMUONSA-N	1	0	367.534	1.958	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CC(C)(C)C[NH+](C)C)cc1	ZINC000890885872	772028179	/nfs/dbraw/zinc/02/81/79/772028179.db2.gz	JUYHQNGKHMDSMM-UHFFFAOYSA-N	1	0	365.499	1.258	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](n2cc(C[NH2+]C(C)C)nn2)C1	ZINC001075379736	772054923	/nfs/dbraw/zinc/05/49/23/772054923.db2.gz	PAXSVSOTTQSEMR-BZSNNMDCSA-N	1	0	361.490	1.921	20	30		FDEDRO
C[C@@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C1C[NH+](Cc2cccc(C#N)c2)C1	ZINC000970203519	772073753	/nfs/dbraw/zinc/07/37/53/772073753.db2.gz	AUEIMTCCDWRCNN-QRKUABHPSA-N	1	0	369.465	1.546	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H](NS(=O)(=O)C2CC2)C(C)C)CC1	ZINC000668369835	772088103	/nfs/dbraw/zinc/08/81/03/772088103.db2.gz	GBIFNCOUQKITIT-MRXNPFEDSA-N	1	0	357.520	1.250	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](NCc2nnc3n2CCCC3)C1	ZINC000970242175	772185246	/nfs/dbraw/zinc/18/52/46/772185246.db2.gz	VEGITRURVSSRGP-VKJFTORMSA-N	1	0	359.474	1.286	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cc(C)on2)C1=O	ZINC001087117100	772218651	/nfs/dbraw/zinc/21/86/51/772218651.db2.gz	BFAYMGOBZKMRRO-VNQPRFMTSA-N	1	0	360.458	1.600	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H]([NH3+])[C@H](CC)C2)c1	ZINC000647004779	772377069	/nfs/dbraw/zinc/37/70/69/772377069.db2.gz	QAWLRLFTIODUBF-CJNGLKHVSA-N	1	0	351.472	1.350	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1)OCC	ZINC001104255304	772414905	/nfs/dbraw/zinc/41/49/05/772414905.db2.gz	CKWZIVVJNYROKQ-BRWVUGGUSA-N	1	0	364.490	1.072	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1	ZINC000972253128	783022848	/nfs/dbraw/zinc/02/28/48/783022848.db2.gz	OBXNACIXUUXMNL-HUUCEWRRSA-N	1	0	353.894	1.920	20	30		FDEDRO
C[C@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C1C[NH+](Cc2cccc(C#N)c2)C1	ZINC000970432696	772625968	/nfs/dbraw/zinc/62/59/68/772625968.db2.gz	CDFJHNDYHOVCDD-XKQJLSEDSA-N	1	0	354.454	1.396	20	30		FDEDRO
C[C@@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C1C[NH+](Cc2cccc(C#N)c2)C1	ZINC000970432698	772626000	/nfs/dbraw/zinc/62/60/00/772626000.db2.gz	CDFJHNDYHOVCDD-XYPHTWIQSA-N	1	0	354.454	1.396	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC)C2)CCOCC1	ZINC001104279556	772755159	/nfs/dbraw/zinc/75/51/59/772755159.db2.gz	DZZQJRLXAHSPNC-IAGOWNOFSA-N	1	0	363.502	1.017	20	30		FDEDRO
CCCCCCCS(=O)(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1	ZINC000799765615	772966275	/nfs/dbraw/zinc/96/62/75/772966275.db2.gz	QBRDKMZWDSWECE-UHFFFAOYSA-N	1	0	361.552	1.676	20	30		FDEDRO
NC(=O)[C@@H]1C[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(F)cc1	ZINC001021382218	773114644	/nfs/dbraw/zinc/11/46/44/773114644.db2.gz	TYUABJAVCXWXSN-TZOQOTQKSA-N	1	0	369.440	1.410	20	30		FDEDRO
CC(C)(C(=O)N1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1)[NH+]1CCCC1	ZINC001021403565	773205231	/nfs/dbraw/zinc/20/52/31/773205231.db2.gz	WDQIQVDUXZBSGI-WMLDXEAASA-N	1	0	369.469	1.434	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1cnn(C)n1	ZINC001021406910	773231321	/nfs/dbraw/zinc/23/13/21/773231321.db2.gz	BWLBFEXUGZDOGF-LLPGRJKPSA-N	1	0	359.474	1.408	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)[C@H]4CC4(C)C)[C@@H]3C2)CC1	ZINC001021410891	773231986	/nfs/dbraw/zinc/23/19/86/773231986.db2.gz	AILJEJCOZOBDFQ-RCCFBDPRSA-N	1	0	357.498	1.437	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC#C[C@@H]1CCCCO1	ZINC000891111523	773292885	/nfs/dbraw/zinc/29/28/85/773292885.db2.gz	AUWISEPXNFFHIA-JKSUJKDBSA-N	1	0	367.490	1.520	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH]c4ccc(F)cc34)[C@H]2C1	ZINC001083205692	773430534	/nfs/dbraw/zinc/43/05/34/773430534.db2.gz	NPESIFSEQHLIQI-RBUKOAKNSA-N	1	0	355.413	1.784	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](Cn2cccn2)N(C)C)C[C@H]1C	ZINC001104289729	773639040	/nfs/dbraw/zinc/63/90/40/773639040.db2.gz	RMQOLLUSMKIQFB-QRVBRYPASA-N	1	0	361.534	1.854	20	30		FDEDRO
C=CCn1c(SC[C@H](O)C[N@@H+](C)CCOC)nc2sccc2c1=O	ZINC000656151190	773916547	/nfs/dbraw/zinc/91/65/47/773916547.db2.gz	IMMSJHXSZBARLC-GFCCVEGCSA-N	1	0	369.512	1.675	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CCCS1(=O)=O)C2	ZINC001112494853	773940660	/nfs/dbraw/zinc/94/06/60/773940660.db2.gz	YBBCYQGTWXOTIK-BQFCYCMXSA-N	1	0	354.516	1.748	20	30		FDEDRO
CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1	ZINC000275846676	774099113	/nfs/dbraw/zinc/09/91/13/774099113.db2.gz	WDVZZHVCMZNQBB-CQSZACIVSA-N	1	0	373.457	1.632	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nccs2)C1	ZINC001104306133	774439468	/nfs/dbraw/zinc/43/94/68/774439468.db2.gz	MMYVXDLXGPHLCQ-ZACQAIPSSA-N	1	0	360.527	1.815	20	30		FDEDRO
Cc1cn2cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)ccc2n1	ZINC000275910393	774482293	/nfs/dbraw/zinc/48/22/93/774482293.db2.gz	SLNLDLAXMLKRCU-UHFFFAOYSA-N	1	0	356.430	1.275	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC1(C[NH2+][C@@H]2CCCNC2=O)CC1	ZINC001167422429	774563167	/nfs/dbraw/zinc/56/31/67/774563167.db2.gz	PHXDNHXHDMZEJY-BBWFWOEESA-N	1	0	363.502	1.512	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1	ZINC000275963567	774766849	/nfs/dbraw/zinc/76/68/49/774766849.db2.gz	COYGFZHHTPJAFY-AWEZNQCLSA-N	1	0	370.453	1.308	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1(C[NH2+]CCc2ccnn2C)CC1	ZINC001167435105	774825384	/nfs/dbraw/zinc/82/53/84/774825384.db2.gz	HQOZZOJZUUBCAI-ROUUACIJSA-N	1	0	360.502	1.820	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnc3cnccc3c2)C[C@H]1C	ZINC001104422299	783220372	/nfs/dbraw/zinc/22/03/72/783220372.db2.gz	KWYGYNGCWNZKDI-SJLPKXTDSA-N	1	0	366.465	1.967	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C(C)(C)CC)CC1	ZINC000656337117	775039754	/nfs/dbraw/zinc/03/97/54/775039754.db2.gz	OSCGNPHQYXDIIE-HZPDHXFCSA-N	1	0	351.491	1.417	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H](C[NH2+][C@@H]2CCCN(C)C2=O)C1	ZINC001087143544	775202923	/nfs/dbraw/zinc/20/29/23/775202923.db2.gz	FXCYRDJJSNVSOE-VNQPRFMTSA-N	1	0	357.458	1.337	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)c1	ZINC000276023076	775256236	/nfs/dbraw/zinc/25/62/36/775256236.db2.gz	KTURMMZNQBQTJQ-YJBOKZPZSA-N	1	0	357.454	1.826	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+][C@@H]1CN(C(=O)C2CC2)C[C@H]1c1ccccc1	ZINC001211509104	775385088	/nfs/dbraw/zinc/38/50/88/775385088.db2.gz	YZIMPLZSKIPDPM-RBUKOAKNSA-N	1	0	368.481	1.743	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1CC[C@H](C(=O)OC)C[C@H]1[C@@H]1CCCO1	ZINC000933174903	776005726	/nfs/dbraw/zinc/00/57/26/776005726.db2.gz	DMROHNHJERAZEL-ULQDDVLXSA-N	1	0	352.475	1.844	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cnn(C)c2N)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087153938	776658623	/nfs/dbraw/zinc/65/86/23/776658623.db2.gz	UZDBTZYZCCSNIB-PBHICJAKSA-N	1	0	366.469	1.904	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2CCCC2)C[C@H]1c1ccccc1	ZINC001211514749	776865531	/nfs/dbraw/zinc/86/55/31/776865531.db2.gz	FDNTUHQEZKTYJF-LSTHTHJFSA-N	1	0	367.493	1.899	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2ncn(C)n2)C1	ZINC001075421042	777054364	/nfs/dbraw/zinc/05/43/64/777054364.db2.gz	HYYAVGATDCGONF-SJLPKXTDSA-N	1	0	369.444	1.813	20	30		FDEDRO
CC(=O)N1CC(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087156607	777079641	/nfs/dbraw/zinc/07/96/41/777079641.db2.gz	QQQIBTJZDUDDDM-QRWLVFNGSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCc2cnn(CC)c2)C1	ZINC000971559421	777617173	/nfs/dbraw/zinc/61/71/73/777617173.db2.gz	WHXNGHJGZAJREX-QRVBRYPASA-N	1	0	360.502	1.959	20	30		FDEDRO
COc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@]34C[C@H]3COC4)C2)cc1C#N	ZINC000971572761	777711539	/nfs/dbraw/zinc/71/15/39/777711539.db2.gz	NATCRWAHSLHOAM-QKLQHJQFSA-N	1	0	355.438	1.636	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccncc2CC)C[C@H]1C	ZINC001104370756	778236424	/nfs/dbraw/zinc/23/64/24/778236424.db2.gz	BZQPDWDNXQINTR-JFIYKMOQSA-N	1	0	370.497	1.470	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1	ZINC001022211978	778645345	/nfs/dbraw/zinc/64/53/45/778645345.db2.gz	XMBDOXOWCUHZIL-ZIFCJYIRSA-N	1	0	370.497	1.689	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@H](C)C4CC4)[C@@H]3C2)CC1	ZINC000971699389	778749826	/nfs/dbraw/zinc/74/98/26/778749826.db2.gz	QTEROONPQSWVNG-ATZDWAIDSA-N	1	0	357.498	1.437	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)CCC4CCC4)[C@@H]3C2)CC1	ZINC000971714238	778810227	/nfs/dbraw/zinc/81/02/27/778810227.db2.gz	PUNGYGJMNVDKBT-WOJBJXKFSA-N	1	0	371.525	1.971	20	30		FDEDRO
C#CCSCC(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1	ZINC000891681780	778952490	/nfs/dbraw/zinc/95/24/90/778952490.db2.gz	NFBPTDBNWYCMLT-UHFFFAOYSA-N	1	0	359.495	1.367	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1CC[NH2+]Cc1cc(F)ccc1C#N	ZINC001104380063	779172830	/nfs/dbraw/zinc/17/28/30/779172830.db2.gz	ZPZYBRVPKDQFHJ-TZMCWYRMSA-N	1	0	356.405	1.703	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)NCC#C[C@@H]1CCCCO1)[NH+]1CCN(C)CC1	ZINC000891753704	779265763	/nfs/dbraw/zinc/26/57/63/779265763.db2.gz	FCOREIZFPBFSHZ-ZWKOTPCHSA-N	1	0	350.507	1.130	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)[N@H+](C)C1	ZINC000328926802	779343698	/nfs/dbraw/zinc/34/36/98/779343698.db2.gz	FKRLGLHVCTWAMK-JYJNAYRXSA-N	1	0	364.421	1.472	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1c1ccccc1	ZINC001211524762	779381149	/nfs/dbraw/zinc/38/11/49/779381149.db2.gz	ZJKXOQNKVMOCLL-FUHWJXTLSA-N	1	0	366.421	1.030	20	30		FDEDRO
O=C(NCC#C[C@@H]1CCCCO1)NC1CC[NH+](Cc2ccccn2)CC1	ZINC000891806122	779514018	/nfs/dbraw/zinc/51/40/18/779514018.db2.gz	WBPJSPHWFQLKTA-IBGZPJMESA-N	1	0	356.470	1.918	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)[N@H+](C)C1	ZINC000328960749	779568448	/nfs/dbraw/zinc/56/84/48/779568448.db2.gz	QKTDTMWNNVKXLU-IRXDYDNUSA-N	1	0	360.458	1.532	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2n[nH]c3c2CCCC3)C[C@H]1C	ZINC001104381849	779634818	/nfs/dbraw/zinc/63/48/18/779634818.db2.gz	ITVNLYCFYMFSBB-HZPDHXFCSA-N	1	0	358.486	1.626	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21	ZINC001022424084	780027558	/nfs/dbraw/zinc/02/75/58/780027558.db2.gz	OYKSXHUROFTTNX-RRQGHBQHSA-N	1	0	355.442	1.044	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cncc3[nH]ccc32)C[C@H]1C	ZINC001104388439	780263602	/nfs/dbraw/zinc/26/36/02/780263602.db2.gz	YMNSMBCDHQFUIO-HZPDHXFCSA-N	1	0	354.454	1.901	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)N(C)C1	ZINC000329008342	780386846	/nfs/dbraw/zinc/38/68/46/780386846.db2.gz	ZPBVOPGVNDJWKN-HCXYKTFWSA-N	1	0	361.486	1.545	20	30		FDEDRO
C[N@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1	ZINC000971996032	781363125	/nfs/dbraw/zinc/36/31/25/781363125.db2.gz	LEYUWOCLUOTKHJ-LWYYNNOASA-N	1	0	369.465	1.642	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)C2)c(F)c1	ZINC000408031239	790878773	/nfs/dbraw/zinc/87/87/73/790878773.db2.gz	LNVGRRXSIZOOGS-APWZRJJASA-N	1	0	371.460	1.172	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3CN(C(=O)C[N@H+]4CC[C@H](C)C4)C[C@H]32)c1	ZINC001022635625	781700625	/nfs/dbraw/zinc/70/06/25/781700625.db2.gz	XTKXCTSTBYKOFM-VDZJLULYSA-N	1	0	366.465	1.078	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(-c4c[nH]cn4)cc3)[C@H]2C1	ZINC001083238923	781712718	/nfs/dbraw/zinc/71/27/18/781712718.db2.gz	JLEYKPONADJNBL-RBUKOAKNSA-N	1	0	350.422	1.625	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2c(C)oc(C)c2C)C[C@H]1C	ZINC001104400716	781852904	/nfs/dbraw/zinc/85/29/04/781852904.db2.gz	XEATVPWMZJAAJA-CXAGYDPISA-N	1	0	359.470	1.642	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)CCC(F)F)C[C@H]2C)C1=O	ZINC001104423412	783293236	/nfs/dbraw/zinc/29/32/36/783293236.db2.gz	IBYXSJVRMYRVDZ-RBSFLKMASA-N	1	0	357.445	1.893	20	30		FDEDRO
CCC[N@H+](CC)CCNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000376998581	790929740	/nfs/dbraw/zinc/92/97/40/790929740.db2.gz	UJPTUBWJHPXGLI-GOSISDBHSA-N	1	0	356.470	1.897	20	30		FDEDRO
CC(C)[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@@H](O)COc1ccccc1	ZINC000277797906	783348039	/nfs/dbraw/zinc/34/80/39/783348039.db2.gz	OBXIETPJFNGQFE-XLIONFOSSA-N	1	0	359.470	1.945	20	30		FDEDRO
C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC000972342736	783359297	/nfs/dbraw/zinc/35/92/97/783359297.db2.gz	ABZOOPWLXZMLQU-SQNIBIBYSA-N	1	0	354.454	1.493	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)COC)C[C@H]1c1ccccc1	ZINC001211554575	783407123	/nfs/dbraw/zinc/40/71/23/783407123.db2.gz	CZUFFNUSVVNVGY-RYQLBKOJSA-N	1	0	359.470	1.155	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1	ZINC001024130222	783783454	/nfs/dbraw/zinc/78/34/54/783783454.db2.gz	DBKCRRRZUHPJGW-IAGOWNOFSA-N	1	0	359.470	1.262	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3occc3CC)C[C@H]21	ZINC000972835475	783904266	/nfs/dbraw/zinc/90/42/66/783904266.db2.gz	VNPPNOBXJJCRJP-FGTMMUONSA-N	1	0	369.465	1.613	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1cccc(C)c1)C2	ZINC001112519836	783933552	/nfs/dbraw/zinc/93/35/52/783933552.db2.gz	BRQFBERHOSOTMN-UGKGYDQZSA-N	1	0	367.493	1.505	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2nc(CC)no2)C1	ZINC001024196487	784307598	/nfs/dbraw/zinc/30/75/98/784307598.db2.gz	VXNQFYZMZUEXDB-MPGHIAIKSA-N	1	0	362.474	1.941	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)n1	ZINC001058573896	784341577	/nfs/dbraw/zinc/34/15/77/784341577.db2.gz	ZXGHKAYBHIQHSU-CWRNSKLLSA-N	1	0	356.474	1.336	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH+]1CCC([C@@H]2CCCCCN2C(=O)COC)CC1	ZINC000375812612	784996235	/nfs/dbraw/zinc/99/62/35/784996235.db2.gz	RELONASTLNTZOI-WMZOPIPTSA-N	1	0	365.518	1.807	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2(COC)CC2)C[C@H]1c1ccccc1	ZINC001211632725	785065313	/nfs/dbraw/zinc/06/53/13/785065313.db2.gz	JDMJITJBCXHRAG-RBUKOAKNSA-N	1	0	356.466	1.647	20	30		FDEDRO
C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)n2cccn2)C1	ZINC001111932697	785347480	/nfs/dbraw/zinc/34/74/80/785347480.db2.gz	GVBVVDUTHGBYQZ-GJYPPUQNSA-N	1	0	359.474	1.107	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1	ZINC000413837126	785509823	/nfs/dbraw/zinc/50/98/23/785509823.db2.gz	QJOLWSRHCRJBCE-ZWKOTPCHSA-N	1	0	359.470	1.920	20	30		FDEDRO
CN(CCC#N)c1ccc(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)cc1	ZINC000278799786	785517856	/nfs/dbraw/zinc/51/78/56/785517856.db2.gz	XMWVKJGDLPXJKM-ICSRJNTNSA-N	1	0	353.470	1.978	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CCCC[C@@H]2CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)c1	ZINC001024650594	785618381	/nfs/dbraw/zinc/61/83/81/785618381.db2.gz	FWVORTUGXFPMDX-FGTMMUONSA-N	1	0	370.453	1.062	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc3c([nH]2)CCC3)C1	ZINC001111935986	785639896	/nfs/dbraw/zinc/63/98/96/785639896.db2.gz	ZVOWMPIYLGFZTR-HTZUNMPGSA-N	1	0	370.497	1.778	20	30		FDEDRO
COc1cc(OCC[NH+](C)C)ccc1NC(=O)Cc1noc(C)c1C#N	ZINC000413942162	785873283	/nfs/dbraw/zinc/87/32/83/785873283.db2.gz	WEAIFAWVLVKONY-UHFFFAOYSA-N	1	0	358.398	1.985	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4CC[C@@H](C(N)=O)C4)[C@@H]3C2)cc1	ZINC000978712679	805689619	/nfs/dbraw/zinc/68/96/19/805689619.db2.gz	VSTNERRLFSKBTA-ZRSRNVLSSA-N	1	0	366.465	1.254	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccnc(OC)c3)C[C@H]21	ZINC000978724354	805700058	/nfs/dbraw/zinc/70/00/58/805700058.db2.gz	ZRNVTKNGSWRLEY-DZVNLGKHSA-N	1	0	357.454	1.475	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2C)C1	ZINC000431726415	786650903	/nfs/dbraw/zinc/65/09/03/786650903.db2.gz	QAPNPXLEPBVGEG-KRWDZBQOSA-N	1	0	372.469	1.765	20	30		FDEDRO
NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21	ZINC000978751673	805730110	/nfs/dbraw/zinc/73/01/10/805730110.db2.gz	ZGABBLYJAPQJNE-ILOCAZANSA-N	1	0	371.868	1.107	20	30		FDEDRO
NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]21	ZINC000978741778	805736946	/nfs/dbraw/zinc/73/69/46/805736946.db2.gz	IUCLYZXPQSKJJJ-ILOCAZANSA-N	1	0	371.868	1.107	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnc4n[nH]c(C)c4c3)[C@H]2C1	ZINC001083275117	786932201	/nfs/dbraw/zinc/93/22/01/786932201.db2.gz	OUWAKBDNWSDLGZ-DLBZAZTESA-N	1	0	355.442	1.758	20	30		FDEDRO
C[N@@H+]1CC[C@H](NC(=O)NCCn2cnc(C#N)n2)[C@H]1c1ccc(F)cc1	ZINC000376249645	787004072	/nfs/dbraw/zinc/00/40/72/787004072.db2.gz	JQPRJPQEXWJRSP-GOEBONIOSA-N	1	0	357.393	1.033	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)cn1	ZINC000972991730	787197022	/nfs/dbraw/zinc/19/70/22/787197022.db2.gz	AVMVTRINYIZJFK-IEBWSBKVSA-N	1	0	366.465	1.078	20	30		FDEDRO
C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1	ZINC000180239551	787494191	/nfs/dbraw/zinc/49/41/91/787494191.db2.gz	DRASQQATSPUNQA-AWEZNQCLSA-N	1	0	357.458	1.431	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1C#N	ZINC000892588889	787497188	/nfs/dbraw/zinc/49/71/88/787497188.db2.gz	IRZIGNBTJRWPAM-QDMKHBRRSA-N	1	0	374.514	1.685	20	30		FDEDRO
C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCO[C@H]3C(=C)C)C2)nn1	ZINC001105340646	805803223	/nfs/dbraw/zinc/80/32/23/805803223.db2.gz	JAZJSYXCFSOUBO-ROUUACIJSA-N	1	0	357.458	1.146	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]1c1ccccc1	ZINC001211684318	805808777	/nfs/dbraw/zinc/80/87/77/805808777.db2.gz	RRMXSMSKEYYGNO-DLBZAZTESA-N	1	0	364.511	1.970	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2CCC)C1	ZINC001104554540	787793748	/nfs/dbraw/zinc/79/37/48/787793748.db2.gz	WPCRDJLRUUJAQA-IAGOWNOFSA-N	1	0	360.506	1.851	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCOCC)C1	ZINC001104562759	787916883	/nfs/dbraw/zinc/91/68/83/787916883.db2.gz	FIMHYIFWSQRDGR-KZNAEPCWSA-N	1	0	367.534	1.816	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCCOC)C1	ZINC001104563722	787926235	/nfs/dbraw/zinc/92/62/35/787926235.db2.gz	SMDGJJIKIKJWCY-FGTMMUONSA-N	1	0	367.534	1.816	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc[nH]c2CCC)C[C@H]1C	ZINC001104566582	787989277	/nfs/dbraw/zinc/98/92/77/787989277.db2.gz	LXDAOACATBUAEU-HZPDHXFCSA-N	1	0	360.502	1.957	20	30		FDEDRO
[NH3+]CC12CC(C1)CN2C(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000659099618	788007679	/nfs/dbraw/zinc/00/76/79/788007679.db2.gz	JLNNXOJMOXGMML-UHFFFAOYSA-N	1	0	360.417	1.370	20	30		FDEDRO
[NH3+]CC12CC(C1)CN2C(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1	ZINC000659101532	788019125	/nfs/dbraw/zinc/01/91/25/788019125.db2.gz	AKIAWHIDOUUBPC-UHFFFAOYSA-N	1	0	359.429	1.975	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@]2(COC)CCOC2)C[C@H]1c1ccccc1	ZINC001211642556	788056873	/nfs/dbraw/zinc/05/68/73/788056873.db2.gz	IYYNJTPEFQQJPM-QKNQBKEWSA-N	1	0	356.466	1.647	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](C)OC2(CC[NH+](CCO)CC2)C1	ZINC001098599536	788353823	/nfs/dbraw/zinc/35/38/23/788353823.db2.gz	FPRIXHYZKWJBKD-BBWFWOEESA-N	1	0	352.475	1.042	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1C	ZINC001104578297	788392289	/nfs/dbraw/zinc/39/22/89/788392289.db2.gz	QUJMKWYEAFZLNI-ZIAGYGMSSA-N	1	0	355.429	1.245	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC#Cc2ccccc2)C1	ZINC001111999652	788512407	/nfs/dbraw/zinc/51/24/07/788512407.db2.gz	UWHCXGCUZGFBON-UGKGYDQZSA-N	1	0	365.477	1.701	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1	ZINC000973316312	788534233	/nfs/dbraw/zinc/53/42/33/788534233.db2.gz	TVKGWUZRXDVICH-WSRJKRBPSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=C(Br)C[NH2+]CC[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1C	ZINC001104594261	788783604	/nfs/dbraw/zinc/78/36/04/788783604.db2.gz	FHEQKKVEOYNJNU-ZYHUDNBSSA-N	1	0	369.263	1.366	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc3[nH]ccc3c2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104604724	788827498	/nfs/dbraw/zinc/82/74/98/788827498.db2.gz	DBBAKRDKYDZOKQ-RHSMWYFYSA-N	1	0	367.453	1.495	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC(=O)NC)C1	ZINC001104607126	788849170	/nfs/dbraw/zinc/84/91/70/788849170.db2.gz	KYJYDTRPPZMYLB-QLFBSQMISA-N	1	0	352.479	1.261	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCNS(C)(=O)=O)C2)CCC1	ZINC001104639889	789111559	/nfs/dbraw/zinc/11/15/59/789111559.db2.gz	ZHMYXYIHEBHGNL-HZPDHXFCSA-N	1	0	371.547	1.356	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCCN2CCOCC2)C[C@H]1c1ccccc1	ZINC001211688113	805938863	/nfs/dbraw/zinc/93/88/63/805938863.db2.gz	PDMPKCNZRVRVHT-LEWJYISDSA-N	1	0	369.509	1.706	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cnc(CC(C)C)nc2)CC1	ZINC000472638717	789358932	/nfs/dbraw/zinc/35/89/32/789358932.db2.gz	QFICWAIAEDIGOH-UHFFFAOYSA-N	1	0	359.474	1.770	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ocnc2C(F)F)C[C@H]1C	ZINC001104683134	789386188	/nfs/dbraw/zinc/38/61/88/789386188.db2.gz	FYLDYSBQVPCEQE-VXGBXAGGSA-N	1	0	370.400	1.602	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC000979075911	806020870	/nfs/dbraw/zinc/02/08/70/806020870.db2.gz	CKUOFBKIUVGFOQ-KJWYOANISA-N	1	0	354.454	1.028	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccn(C(C)C)n2)C[C@H]1C	ZINC001104744543	791225874	/nfs/dbraw/zinc/22/58/74/791225874.db2.gz	QLGVJPLKYSAUEX-HZPDHXFCSA-N	1	0	361.490	1.454	20	30		FDEDRO
COCCn1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)nn1	ZINC000415165863	791548970	/nfs/dbraw/zinc/54/89/70/791548970.db2.gz	FPEZSHUYDPBDGL-UHFFFAOYSA-N	1	0	356.430	1.000	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2	ZINC000415200966	791631902	/nfs/dbraw/zinc/63/19/02/791631902.db2.gz	CSDDKNLFDKZISN-DYVFJYSZSA-N	1	0	361.417	1.507	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC23CCN(c2cncc(C#N)n2)CC3)CC[N@@H+]1C	ZINC001058656309	791721482	/nfs/dbraw/zinc/72/14/82/791721482.db2.gz	ZZECLSGSGGCXOE-GVDBMIGSSA-N	1	0	368.485	1.554	20	30		FDEDRO
C=CCC1(CNC(=O)C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CCCC1	ZINC000415258596	791761080	/nfs/dbraw/zinc/76/10/80/791761080.db2.gz	RXRDQKJQPIYCQR-UHFFFAOYSA-N	1	0	372.473	1.077	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC(C[NH3+])CC2)ccc1OC(F)(F)F	ZINC000415295904	791869501	/nfs/dbraw/zinc/86/95/01/791869501.db2.gz	BNKIIYQQSOMMHX-UHFFFAOYSA-N	1	0	370.331	1.593	20	30		FDEDRO
NC(=O)C[C@H]1CC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000377507594	792021283	/nfs/dbraw/zinc/02/12/83/792021283.db2.gz	ZCGDQTJXTIAGSN-CQSZACIVSA-N	1	0	367.371	1.370	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3cnc(C)cn3)C[C@H]21	ZINC001025790806	792042040	/nfs/dbraw/zinc/04/20/40/792042040.db2.gz	QWMNYSBSGZTBRJ-SGVZTEBKSA-N	1	0	356.470	1.874	20	30		FDEDRO
C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1	ZINC000415385794	792141514	/nfs/dbraw/zinc/14/15/14/792141514.db2.gz	OHNAYWNALZWZNM-AWEZNQCLSA-N	1	0	358.442	1.893	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N(CCC)[C@H]2CC[NH2+]C2)cc1	ZINC000415406959	792211687	/nfs/dbraw/zinc/21/16/87/792211687.db2.gz	PXWRMXIIFMZNDM-INIZCTEOSA-N	1	0	373.457	1.533	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH2+]C2CCN(c3nnnn3C)CC2)cc1	ZINC000377577171	792253611	/nfs/dbraw/zinc/25/36/11/792253611.db2.gz	LHFTXARGHBZLMF-UHFFFAOYSA-N	1	0	354.462	1.319	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)N2CC[C@H]([NH3+])[C@@H]2C)c(C#N)cn1CCOC	ZINC000415496570	792371941	/nfs/dbraw/zinc/37/19/41/792371941.db2.gz	RWBJZMLFLKGPPC-AAEUAGOBSA-N	1	0	363.418	1.136	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)N(C)C2CC([NH3+])C2)c(C#N)cn1CCOC	ZINC000415504515	792382374	/nfs/dbraw/zinc/38/23/74/792382374.db2.gz	YRTSMHXXYYBDRF-UHFFFAOYSA-N	1	0	363.418	1.136	20	30		FDEDRO
CCCc1c(NC(=O)C(=O)NC[C@@H](C)C[NH3+])cnn1-c1cccc(C#N)c1	ZINC000415512016	792414124	/nfs/dbraw/zinc/41/41/24/792414124.db2.gz	RWYDFIVSQGKBSV-ZDUSSCGKSA-N	1	0	368.441	1.346	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1	ZINC000415528451	792443622	/nfs/dbraw/zinc/44/36/22/792443622.db2.gz	VXKNAQXYGFADGS-INIZCTEOSA-N	1	0	370.453	1.886	20	30		FDEDRO
C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000415536030	792482757	/nfs/dbraw/zinc/48/27/57/792482757.db2.gz	ZKWUTCQJBRNWKO-NVXWUHKLSA-N	1	0	362.433	1.616	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)[C@@H](C)C[NH2+]1	ZINC000415566841	792540083	/nfs/dbraw/zinc/54/00/83/792540083.db2.gz	NEPPJGFLNBQVEJ-HOTGVXAUSA-N	1	0	362.433	1.629	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1	ZINC000415578057	792577673	/nfs/dbraw/zinc/57/76/73/792577673.db2.gz	IHGHJDJVVRSXAA-IBGZPJMESA-N	1	0	358.442	1.047	20	30		FDEDRO
[NH2+]=C(NCCC(=O)N1CCOCC1)NCc1ccc(OC(F)(F)F)cc1	ZINC000176966355	792688942	/nfs/dbraw/zinc/68/89/42/792688942.db2.gz	PJMAUVPRUROLFS-UHFFFAOYSA-N	1	0	374.363	1.238	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C1C[C@@H]2COC[C@H](C1)C2=O	ZINC000377781945	792772818	/nfs/dbraw/zinc/77/28/18/792772818.db2.gz	OMDCBNZBIZOMAG-YQQQUEKLSA-N	1	0	369.465	1.690	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N(CC[NH3+])CCc1ccccc1	ZINC000415686911	792811700	/nfs/dbraw/zinc/81/17/00/792811700.db2.gz	DRCLIKTZPXLSJF-UHFFFAOYSA-N	1	0	366.421	1.535	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)O[C@H]2CCN(c3sccc3C#N)C2=O)CC1	ZINC000923790493	792842748	/nfs/dbraw/zinc/84/27/48/792842748.db2.gz	WJWCMNLABAYVKI-AWEZNQCLSA-N	1	0	363.439	1.379	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)OC)C1	ZINC000294949029	792894851	/nfs/dbraw/zinc/89/48/51/792894851.db2.gz	AOUGBBDMOBXTMQ-DLBZAZTESA-N	1	0	359.426	1.343	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CCc2cn(C)nc2C)C[C@H]1C	ZINC001104751305	792899558	/nfs/dbraw/zinc/89/95/58/792899558.db2.gz	IDMUGDKEAYKDDZ-SJLPKXTDSA-N	1	0	362.518	1.938	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1	ZINC000415770952	792969235	/nfs/dbraw/zinc/96/92/35/792969235.db2.gz	QVSGVSKQXMEOGR-VXGBXAGGSA-N	1	0	364.352	1.309	20	30		FDEDRO
N#CCc1cccc(NC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1	ZINC000415814140	793046619	/nfs/dbraw/zinc/04/66/19/793046619.db2.gz	QXWZECLTCCCQTK-INIZCTEOSA-N	1	0	355.442	1.428	20	30		FDEDRO
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1	ZINC000415831776	793083711	/nfs/dbraw/zinc/08/37/11/793083711.db2.gz	KDKXUVRPMFRHGU-INIZCTEOSA-N	1	0	359.470	1.972	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(C)n4C)[C@@H]3C2)C1=O	ZINC001075541544	793269917	/nfs/dbraw/zinc/26/99/17/793269917.db2.gz	KKAHWRFIMTVJON-CGTJXYLNSA-N	1	0	356.470	1.267	20	30		FDEDRO
C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1	ZINC000460804103	793301945	/nfs/dbraw/zinc/30/19/45/793301945.db2.gz	HWXVOKVPKJQASO-ROUUACIJSA-N	1	0	374.533	1.574	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(N(CC)CC)nc3)[C@H]2C1	ZINC001083290027	793308205	/nfs/dbraw/zinc/30/82/05/793308205.db2.gz	DAHHDPMLVVMAIK-ZWKOTPCHSA-N	1	0	356.470	1.476	20	30		FDEDRO
C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(C[NH2+]CC)c2)CC1	ZINC000415900471	793327691	/nfs/dbraw/zinc/32/76/91/793327691.db2.gz	ANDULOCVTLWKNM-UHFFFAOYSA-N	1	0	359.474	1.248	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3c4ccccc4NC3=O)[C@H]2C1	ZINC001083290197	793333290	/nfs/dbraw/zinc/33/32/90/793333290.db2.gz	MKPRNUUZBPWYCL-NZSAHSFTSA-N	1	0	369.465	1.990	20	30		FDEDRO
O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1	ZINC000415895836	793338471	/nfs/dbraw/zinc/33/84/71/793338471.db2.gz	QAFHFCSJUJYUGS-MSOLQXFVSA-N	1	0	374.444	1.488	20	30		FDEDRO
O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1	ZINC000415895843	793338811	/nfs/dbraw/zinc/33/88/11/793338811.db2.gz	QAFHFCSJUJYUGS-ZWKOTPCHSA-N	1	0	374.444	1.488	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1	ZINC000979326200	806237620	/nfs/dbraw/zinc/23/76/20/806237620.db2.gz	XJHZMPKYYMGLIY-WEVKCVHISA-N	1	0	363.502	1.319	20	30		FDEDRO
N#Cc1c(F)cccc1N1CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1	ZINC000415996255	793471614	/nfs/dbraw/zinc/47/16/14/793471614.db2.gz	OVZUGNZLZZFJRF-CQSZACIVSA-N	1	0	373.354	1.809	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)C[C@H]1C	ZINC001104767783	793550005	/nfs/dbraw/zinc/55/00/05/793550005.db2.gz	CZIMIQSYABELPY-OAGGEKHMSA-N	1	0	359.536	1.211	20	30		FDEDRO
Cc1ccc([C@H](C)C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)o1	ZINC001104768605	793563672	/nfs/dbraw/zinc/56/36/72/793563672.db2.gz	RKUGWTXTGSENJS-VNQPRFMTSA-N	1	0	360.458	1.406	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCCOC1)C(=O)Nc1ccccc1C#N	ZINC000378154190	793582970	/nfs/dbraw/zinc/58/29/70/793582970.db2.gz	LPFGWWJZGPCMCR-UZLBHIALSA-N	1	0	372.469	1.356	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCn2cccn2)C1	ZINC001104780387	793615015	/nfs/dbraw/zinc/61/50/15/793615015.db2.gz	CYURURDYKAWYJI-YRXWBPOGSA-N	1	0	360.502	1.939	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C[C@H]1C	ZINC001104780569	793625044	/nfs/dbraw/zinc/62/50/44/793625044.db2.gz	HGGPPFUSVBKGOK-NCXUSEDFSA-N	1	0	360.502	1.939	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc3n[nH]c(=O)n3c2)C[C@H]1C	ZINC001104787876	793680653	/nfs/dbraw/zinc/68/06/53/793680653.db2.gz	YHBCJHBWSXVKJO-DGCLKSJQSA-N	1	0	363.849	1.875	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCCC2)C[C@H]1C	ZINC001104787895	793681851	/nfs/dbraw/zinc/68/18/51/793681851.db2.gz	ZIJKANRGSCBEKJ-HZPDHXFCSA-N	1	0	356.532	1.994	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1	ZINC001104791401	793689728	/nfs/dbraw/zinc/68/97/28/793689728.db2.gz	XAYWBYWHNRNJGX-RHSMWYFYSA-N	1	0	352.442	1.575	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)Cc2c(C)noc2Cl)C[C@H]1C	ZINC001104789679	793697420	/nfs/dbraw/zinc/69/74/20/793697420.db2.gz	GSYGRHTYRQJRCN-UKRRQHHQSA-N	1	0	367.877	1.903	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCn2cccc2)C[C@H]1C	ZINC001104836628	793978653	/nfs/dbraw/zinc/97/86/53/793978653.db2.gz	WCXPPCAGCCSEGH-KZNAEPCWSA-N	1	0	358.486	1.090	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnn(-c3ccncc3)c2)C[C@H]1C	ZINC001104846095	794037705	/nfs/dbraw/zinc/03/77/05/794037705.db2.gz	IQJARICGQUNXCP-IAGOWNOFSA-N	1	0	351.454	1.978	20	30		FDEDRO
C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1=O	ZINC000416342735	794050777	/nfs/dbraw/zinc/05/07/77/794050777.db2.gz	QAVNUEPPRXPBPX-FUHWJXTLSA-N	1	0	354.454	1.462	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH+]1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1	ZINC000378400902	794089173	/nfs/dbraw/zinc/08/91/73/794089173.db2.gz	JPQSZKRMIKNLLF-QGZVFWFLSA-N	1	0	360.502	1.863	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)CCOC)C[C@H]1C	ZINC001104858688	794092459	/nfs/dbraw/zinc/09/24/59/794092459.db2.gz	MJXSFVRHYNBQPV-BRWVUGGUSA-N	1	0	365.518	1.261	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1	ZINC000378449806	794159822	/nfs/dbraw/zinc/15/98/22/794159822.db2.gz	GNPALCASOZRPDB-DOTOQJQBSA-N	1	0	370.453	1.837	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2csc(Cl)n2)C[C@H]1C	ZINC001104876615	794180962	/nfs/dbraw/zinc/18/09/62/794180962.db2.gz	XLPAGMQHZBDFFQ-VXGBXAGGSA-N	1	0	368.890	1.234	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)c2cn([C@@H]3CCOC3)nn2)C[C@H]1C	ZINC001104882427	794196592	/nfs/dbraw/zinc/19/65/92/794196592.db2.gz	YFFBNEVRIPGAPH-BPLDGKMQSA-N	1	0	367.881	1.680	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc4c3OCC4(C)C)[C@H]2C1	ZINC001083293392	794386885	/nfs/dbraw/zinc/38/68/85/794386885.db2.gz	BTWWTIXERFRZBD-ZWKOTPCHSA-N	1	0	354.450	1.905	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCn3cccn3)C2)nc1	ZINC001104925111	794413965	/nfs/dbraw/zinc/41/39/65/794413965.db2.gz	ZKEIUCRRDBPSMM-SJLPKXTDSA-N	1	0	351.454	1.647	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](CCCC)C(N)=O)C2)nc1	ZINC001104923935	794419851	/nfs/dbraw/zinc/41/98/51/794419851.db2.gz	DUOITWPUKIRHQE-NXHRZFHOSA-N	1	0	370.497	1.795	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](C)c3nnc(C)[nH]3)C2)cn1	ZINC001104927772	794436494	/nfs/dbraw/zinc/43/64/94/794436494.db2.gz	STBKRGSZQHGVPQ-JKIFEVAISA-N	1	0	366.469	1.938	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2sccc2OC)C[C@H]1C	ZINC001104936222	794469481	/nfs/dbraw/zinc/46/94/81/794469481.db2.gz	KAIAJJBLQYLAJA-ZIAGYGMSSA-N	1	0	365.499	1.747	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCc2ccccn2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104936532	794471329	/nfs/dbraw/zinc/47/13/29/794471329.db2.gz	YRVUCGWDDAPNQE-IAGOWNOFSA-N	1	0	371.485	1.118	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1	ZINC000974132322	794484384	/nfs/dbraw/zinc/48/43/84/794484384.db2.gz	XJMZQPNCTOCPTB-SFFUCWETSA-N	1	0	363.502	1.605	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)Cc2ccc3c(c2)COC3)C[C@H]1C	ZINC001104949510	794529361	/nfs/dbraw/zinc/52/93/61/794529361.db2.gz	YKUICSQLRWXSAL-IEBWSBKVSA-N	1	0	370.493	1.983	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C[C@H]1C	ZINC001104952058	794535917	/nfs/dbraw/zinc/53/59/17/794535917.db2.gz	DRTYYCNORKHKES-INMHGKMJSA-N	1	0	357.520	1.109	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@H]1C	ZINC001104957963	794574273	/nfs/dbraw/zinc/57/42/73/794574273.db2.gz	YFJVGPOPCKQNQP-QLFBSQMISA-N	1	0	371.472	1.880	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1	ZINC000974183181	794667919	/nfs/dbraw/zinc/66/79/19/794667919.db2.gz	YHWPOKYDWNWQRZ-TWMKSMIVSA-N	1	0	363.502	1.463	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](CN(C)c3ccc(C#N)nn3)C2)CC[N@@H+]1C	ZINC001058708095	794739614	/nfs/dbraw/zinc/73/96/14/794739614.db2.gz	BKWXCUZTUHVYSN-BPQIPLTHSA-N	1	0	370.501	1.753	20	30		FDEDRO
Cc1cc(C#N)nc(N(C)C[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001058708279	794750403	/nfs/dbraw/zinc/75/04/03/794750403.db2.gz	HCIXDTWBFPIYSE-JFIYKMOQSA-N	1	0	370.501	1.672	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCC2CCC2)C1	ZINC001112069980	794756227	/nfs/dbraw/zinc/75/62/27/794756227.db2.gz	VXSGPUPLGCAALT-HUUCEWRRSA-N	1	0	364.408	1.985	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104991216	794757875	/nfs/dbraw/zinc/75/78/75/794757875.db2.gz	GBALPUROQLQIBU-IAGOWNOFSA-N	1	0	370.497	1.678	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cn3c(cccc3C)n2)C[C@H]1C	ZINC001104994441	794765530	/nfs/dbraw/zinc/76/55/30/794765530.db2.gz	POGCDVPQYUXHBW-SJLPKXTDSA-N	1	0	368.481	1.980	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C(=O)Nc2cc(C)on2)C[C@H]1C	ZINC001105005173	794843750	/nfs/dbraw/zinc/84/37/50/794843750.db2.gz	GHWLTXMYCFEDAM-ZWNOBZJWSA-N	1	0	354.838	1.748	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2scnc2Cl)C[C@H]1C	ZINC001105019982	794954114	/nfs/dbraw/zinc/95/41/14/794954114.db2.gz	LTXUHFXVYHBSGC-VXGBXAGGSA-N	1	0	368.890	1.234	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2CCC=CCC2)C[C@H]1C	ZINC001105023569	794960890	/nfs/dbraw/zinc/96/08/90/794960890.db2.gz	VWPWWFQOUAZFFA-ZIFCJYIRSA-N	1	0	359.514	1.945	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)CS(=O)(=O)NC(C)(C)C)C[C@H]1C	ZINC001105026322	794966240	/nfs/dbraw/zinc/96/62/40/794966240.db2.gz	RVLNQJNBHNTBFW-HUUCEWRRSA-N	1	0	359.536	1.355	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2c[nH]c3ncccc23)C[C@H]1C	ZINC001105027009	794971462	/nfs/dbraw/zinc/97/14/62/794971462.db2.gz	JJVKCLMNSOWULH-HUUCEWRRSA-N	1	0	369.469	1.553	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(=O)c2ccsc2)C[C@H]1C	ZINC001105031515	794997919	/nfs/dbraw/zinc/99/79/19/794997919.db2.gz	WHSYTPUEVOAONZ-HZPDHXFCSA-N	1	0	361.511	1.918	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH]nc3C2)C[C@H]1C	ZINC001105037078	795017913	/nfs/dbraw/zinc/01/79/13/795017913.db2.gz	IWRPKZBBIYJMGR-JFIYKMOQSA-N	1	0	358.486	1.239	20	30		FDEDRO
CC1=CC[C@](C)(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)CC1	ZINC001105045590	795047668	/nfs/dbraw/zinc/04/76/68/795047668.db2.gz	XOJIERQKRUTFDA-HLIPFELVSA-N	1	0	360.502	1.837	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](F)C(C)C)C[C@H]1c1ccccc1	ZINC001211653130	795124085	/nfs/dbraw/zinc/12/40/85/795124085.db2.gz	HQMISAMFEDKPKU-SCTDSRPQSA-N	1	0	359.445	1.314	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000974309554	795141693	/nfs/dbraw/zinc/14/16/93/795141693.db2.gz	MEEDUMIFTBVUOL-WTTBNOFXSA-N	1	0	354.410	1.302	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC3CCC2CC3)C[C@H]1C	ZINC001105075455	795153735	/nfs/dbraw/zinc/15/37/35/795153735.db2.gz	GAMLTVWJRDRLGK-DYKAAJRGSA-N	1	0	359.514	1.636	20	30		FDEDRO
C=CCc1cc(CNC(=O)N2CCCO[C@H](C[NH3+])C2)cc(OC)c1OC	ZINC000417381386	795174490	/nfs/dbraw/zinc/17/44/90/795174490.db2.gz	IKHUXDXGEMCBGK-MRXNPFEDSA-N	1	0	363.458	1.692	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnc(C)n2CC)C1	ZINC001105085286	795198846	/nfs/dbraw/zinc/19/88/46/795198846.db2.gz	JKWWFTOZTWKOQN-NVXWUHKLSA-N	1	0	363.506	1.773	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N[C@H](C)C2CC2)C1	ZINC001105090566	795235740	/nfs/dbraw/zinc/23/57/40/795235740.db2.gz	ZYGHYDICVKFVBJ-JFIYKMOQSA-N	1	0	365.518	1.568	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1	ZINC001105100208	795281602	/nfs/dbraw/zinc/28/16/02/795281602.db2.gz	GOTCNXWOISOMTJ-CRAIPNDOSA-N	1	0	356.470	1.788	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000418017538	795457790	/nfs/dbraw/zinc/45/77/90/795457790.db2.gz	YJCVUIXGPKMSHD-BMGDILEWSA-N	1	0	369.469	1.965	20	30		FDEDRO
CN1CCN(C(=O)NC2CC[NH+](Cc3ccccc3F)CC2)C[C@@H]1C#N	ZINC000364213192	795461024	/nfs/dbraw/zinc/46/10/24/795461024.db2.gz	CMRYPTVEFPELDK-KRWDZBQOSA-N	1	0	359.449	1.639	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3CCCC[C@@H]3C[NH3+])C2=O)cc1	ZINC000418012590	795461532	/nfs/dbraw/zinc/46/15/32/795461532.db2.gz	SIGZRNRKQCYREG-NJAFHUGGSA-N	1	0	369.469	1.870	20	30		FDEDRO
C=CC[NH2+]C1CCC(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1	ZINC001026532682	795512408	/nfs/dbraw/zinc/51/24/08/795512408.db2.gz	UCZDJKNTCNDNCW-HIEASXQVSA-N	1	0	351.491	1.069	20	30		FDEDRO
CCCC[C@@H](C[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000418083368	795519412	/nfs/dbraw/zinc/51/94/12/795519412.db2.gz	ZTSZXWWKBGAGSO-DLBZAZTESA-N	1	0	357.458	1.476	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC1CCC([NH2+]Cc2ccc(C#N)cc2)CC1	ZINC001026560627	795545933	/nfs/dbraw/zinc/54/59/33/795545933.db2.gz	ZNICCWONAZCSBY-WZOJCFFYSA-N	1	0	368.481	1.800	20	30		FDEDRO
COCC1(C#N)CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1	ZINC000500181259	795593409	/nfs/dbraw/zinc/59/34/09/795593409.db2.gz	JBYFBVNSXKWIBI-SJORKVTESA-N	1	0	364.490	1.326	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCCN1CC[NH2+]CC1	ZINC000418298028	795732670	/nfs/dbraw/zinc/73/26/70/795732670.db2.gz	LRDWJVSLVIGRQN-RTBURBONSA-N	1	0	355.486	1.763	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOC2CCC2)C1	ZINC001112092934	795733454	/nfs/dbraw/zinc/73/34/54/795733454.db2.gz	UHGWHUFXOYWYSY-FMKPAKJESA-N	1	0	364.408	1.862	20	30		FDEDRO
C#CCN(CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)[C@@H]1CCc2ccccc21	ZINC000123915237	795878426	/nfs/dbraw/zinc/87/84/26/795878426.db2.gz	PZKMHJFIQWZIRI-GOSISDBHSA-N	1	0	366.465	1.583	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2ccncn2)C[C@H]1c1ccccc1	ZINC001211692985	806459219	/nfs/dbraw/zinc/45/92/19/806459219.db2.gz	VPAVXNHZMNFZGC-PKOBYXMFSA-N	1	0	350.422	1.324	20	30		FDEDRO
COCC[NH2+]CCNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000418513168	796044578	/nfs/dbraw/zinc/04/45/78/796044578.db2.gz	UPSPVOIIPDCHSJ-UHFFFAOYSA-N	1	0	364.421	1.486	20	30		FDEDRO
Cc1ccc(-n2nc(CCCNC(=O)N[C@H](C)C[NH3+])c(C#N)c2N)cc1	ZINC000418520476	796076798	/nfs/dbraw/zinc/07/67/98/796076798.db2.gz	HPESQBIWOVGSMJ-CYBMUJFWSA-N	1	0	355.446	1.214	20	30		FDEDRO
C[C@H](CC[NH3+])NC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000418527166	796090390	/nfs/dbraw/zinc/09/03/90/796090390.db2.gz	NWFFPCARTIRNKX-CQSZACIVSA-N	1	0	352.442	1.675	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4ccon4)[C@@H]3C2)cc1	ZINC001075582876	806583151	/nfs/dbraw/zinc/58/31/51/806583151.db2.gz	QGXSSCORAPFREI-MAUKXSAKSA-N	1	0	352.394	1.923	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(N)=O)C1	ZINC001112523177	799804350	/nfs/dbraw/zinc/80/43/50/799804350.db2.gz	GPKJSAUNVMBXDC-VHSSKADRSA-N	1	0	350.463	1.002	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1	ZINC000974570374	799840216	/nfs/dbraw/zinc/84/02/16/799840216.db2.gz	QOAVNGDTBXUQFE-GGPKGHCWSA-N	1	0	355.482	1.334	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)C[N@H+]4CC[C@@H](C)C4)C[C@H]32)cn1	ZINC000974670871	800052702	/nfs/dbraw/zinc/05/27/02/800052702.db2.gz	OVSCYIFODMMAPL-SZVBFZGTSA-N	1	0	366.465	1.078	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CCCC[N@H+]4C)C[C@H]32)cc1	ZINC000974706002	800160697	/nfs/dbraw/zinc/16/06/97/800160697.db2.gz	MDQVILSRSDNQHZ-VAMGGRTRSA-N	1	0	365.477	1.825	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@H]21	ZINC000974730323	800207673	/nfs/dbraw/zinc/20/76/73/800207673.db2.gz	RSXJSNUTFMWZAK-BRWVUGGUSA-N	1	0	363.502	1.226	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCN(C(=O)Cc3cccc(OC)c3)CC2)CCC[NH2+]1	ZINC000662538958	806824829	/nfs/dbraw/zinc/82/48/29/806824829.db2.gz	VYFSYKBTWZPADO-OAQYLSRUSA-N	1	0	371.481	1.607	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@H](C)c3cccnc3)CC2)o1	ZINC000181666321	800455706	/nfs/dbraw/zinc/45/57/06/800455706.db2.gz	NWTPAIPDSJCNOV-CYBMUJFWSA-N	1	0	354.414	1.249	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCN(C(=O)Cc3ccccc3C)CC2)CCC[NH2+]1	ZINC000662550095	806843787	/nfs/dbraw/zinc/84/37/87/806843787.db2.gz	AFGJMYHPEBPFSI-OAQYLSRUSA-N	1	0	355.482	1.907	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]21	ZINC000974971539	800621832	/nfs/dbraw/zinc/62/18/32/800621832.db2.gz	WFXJNRRURGGTGU-BMGDILEWSA-N	1	0	358.486	1.327	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001027066929	800645619	/nfs/dbraw/zinc/64/56/19/800645619.db2.gz	CPXOYDNRLHNJLR-OLMNPRSZSA-N	1	0	354.454	1.221	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1	ZINC001027067599	800651792	/nfs/dbraw/zinc/65/17/92/800651792.db2.gz	WJSOVRYVHOVZGL-MAZHCROVSA-N	1	0	360.483	1.282	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CO)[C@H]2CCC[C@@H](OC)C2)CC1	ZINC000660598017	800693217	/nfs/dbraw/zinc/69/32/17/800693217.db2.gz	VYMYHVDYHBTJDK-CGTJXYLNSA-N	1	0	353.507	1.892	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnc(C(C)C)[nH]2)C1	ZINC001027117475	801017137	/nfs/dbraw/zinc/01/71/37/801017137.db2.gz	ZKRVFQPTHVGYSO-VYDXJSESSA-N	1	0	361.490	1.847	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CC45CC5)[C@@H]3C2)CC1	ZINC000975399067	801242903	/nfs/dbraw/zinc/24/29/03/801242903.db2.gz	BOPUZCGFMVSWCE-KZNAEPCWSA-N	1	0	355.482	1.191	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)C(C)(F)F)C[C@@H]32)CC1	ZINC000975472679	801381655	/nfs/dbraw/zinc/38/16/55/801381655.db2.gz	SGJKURDTYPVKOU-HOCLYGCPSA-N	1	0	367.440	1.436	20	30		FDEDRO
C#Cc1cncc(C(=O)NC2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c1	ZINC000980240293	806907577	/nfs/dbraw/zinc/90/75/77/806907577.db2.gz	UFLWYFYNGYYFJT-YOODTLSXSA-N	1	0	368.481	1.560	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)[nH]1	ZINC000975666667	801888029	/nfs/dbraw/zinc/88/80/29/801888029.db2.gz	NDOVSMKJFVAHQO-YOEHRIQHSA-N	1	0	367.453	1.045	20	30		FDEDRO
N#Cc1ccc(F)c(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1	ZINC000893425671	802810888	/nfs/dbraw/zinc/81/08/88/802810888.db2.gz	XZUIXPAYHJMLNB-UHFFFAOYSA-N	1	0	358.417	1.643	20	30		FDEDRO
C=C1CC(C)(C(=O)N2CC[C@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)C1	ZINC000975992125	802812215	/nfs/dbraw/zinc/81/22/15/802812215.db2.gz	DBYULRIAQJTXQU-IRXDYDNUSA-N	1	0	357.498	1.888	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)CCC[NH2+]1	ZINC000662716895	802871244	/nfs/dbraw/zinc/87/12/44/802871244.db2.gz	JNECHXULMOIVIT-FQEVSTJZSA-N	1	0	371.485	1.098	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc(C)no1	ZINC000976245737	803102545	/nfs/dbraw/zinc/10/25/45/803102545.db2.gz	AEWZDXRXWKTSIJ-OAGGEKHMSA-N	1	0	358.442	1.238	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccoc2)CC1	ZINC000976269234	803143256	/nfs/dbraw/zinc/14/32/56/803143256.db2.gz	KEDVVPYARXIBMQ-QZTJIDSGSA-N	1	0	357.454	1.782	20	30		FDEDRO
C=CC[C@@]1(C(=O)N[C@@H](C)CS(=O)(=O)c2ccc(C)cc2)CCC[NH2+]1	ZINC000662794497	803292248	/nfs/dbraw/zinc/29/22/48/803292248.db2.gz	QTHXCSHDTGCTAP-YJBOKZPZSA-N	1	0	350.484	1.972	20	30		FDEDRO
C=CC[C@H]1CCCN(CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)C1	ZINC000661376641	803401894	/nfs/dbraw/zinc/40/18/94/803401894.db2.gz	FMKGXARDNYLUIL-IRXDYDNUSA-N	1	0	356.532	1.946	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc(C)ncn1	ZINC000976530819	803498357	/nfs/dbraw/zinc/49/83/57/803498357.db2.gz	FNMBLMWMAULZAC-NUJGCVRESA-N	1	0	369.469	1.040	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC000976556288	803520980	/nfs/dbraw/zinc/52/09/80/803520980.db2.gz	SCBJNADQYCYDCW-BASLNEPJSA-N	1	0	357.458	1.384	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1	ZINC000423079764	814956578	/nfs/dbraw/zinc/95/65/78/814956578.db2.gz	ATARKVNLNFBBDI-UHFFFAOYSA-N	1	0	354.454	1.509	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[N@@H+](C)C2)nc1	ZINC000976693825	803724381	/nfs/dbraw/zinc/72/43/81/803724381.db2.gz	AVVUASXUGNEJRA-GVDBMIGSSA-N	1	0	354.454	1.172	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]21	ZINC000976695273	803725096	/nfs/dbraw/zinc/72/50/96/803725096.db2.gz	MSSVHTHGBYNWTH-JLOCXQCDSA-N	1	0	356.470	1.201	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)Cc2ccc[nH]2)CC1	ZINC000976775514	803881796	/nfs/dbraw/zinc/88/17/96/803881796.db2.gz	SFQQHFILRMVCIC-RTBURBONSA-N	1	0	370.497	1.446	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1	ZINC000423166351	814985892	/nfs/dbraw/zinc/98/58/92/814985892.db2.gz	CKEIDSLCNWCPGE-SJORKVTESA-N	1	0	357.454	1.278	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1	ZINC000423179864	814990402	/nfs/dbraw/zinc/99/04/02/814990402.db2.gz	ALHXDBANALIQTE-FOIQADDNSA-N	1	0	354.454	1.516	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCCC[N@H+]2C)nc1	ZINC000976922051	804098908	/nfs/dbraw/zinc/09/89/08/804098908.db2.gz	WNZMMNXLJWLCEU-LMMKCTJWSA-N	1	0	368.481	1.704	20	30		FDEDRO
Cc1cc(C(=O)N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)cc(C)c1C#N	ZINC000909368318	804271536	/nfs/dbraw/zinc/27/15/36/804271536.db2.gz	SYTBZRADLSNLQL-QGZVFWFLSA-N	1	0	354.454	1.602	20	30		FDEDRO
C#CC[N@H+]1C[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C(C)(C)C1	ZINC000977306307	804730967	/nfs/dbraw/zinc/73/09/67/804730967.db2.gz	XNIOAOYPNJUESP-XYJFISCASA-N	1	0	354.454	1.061	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1occc1C)C2	ZINC001112526419	804802157	/nfs/dbraw/zinc/80/21/57/804802157.db2.gz	GUIDROIXVHXYMN-JXFKEZNVSA-N	1	0	359.470	1.651	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(CCC)CC2)C[C@H]1c1ccccc1	ZINC001211673779	804870150	/nfs/dbraw/zinc/87/01/50/804870150.db2.gz	ZZUJITSBIJOIAG-RBUKOAKNSA-N	1	0	367.493	1.900	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@H]1CCN1C(=O)C[NH+]1CCCC1	ZINC000977775491	804921535	/nfs/dbraw/zinc/92/15/35/804921535.db2.gz	NSMNRABCBIJJQK-AOIWGVFYSA-N	1	0	363.502	1.513	20	30		FDEDRO
C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1	ZINC001027573931	805062016	/nfs/dbraw/zinc/06/20/16/805062016.db2.gz	KRPPSJTVUPJPAP-FGTMMUONSA-N	1	0	370.453	1.014	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)CN1CCN(c2ccccn2)CC1	ZINC000162817764	805086610	/nfs/dbraw/zinc/08/66/10/805086610.db2.gz	ZADXCLJLDNOBEQ-SFHVURJKSA-N	1	0	358.486	1.481	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)co2)C[C@H]1c1ccccc1	ZINC001211674470	805090910	/nfs/dbraw/zinc/09/09/10/805090910.db2.gz	DVMWJEZNUAKLHK-DLBZAZTESA-N	1	0	351.406	1.600	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cccc(OC)n3)C[C@H]21	ZINC000978170842	805269382	/nfs/dbraw/zinc/26/93/82/805269382.db2.gz	XJUHJKFXRYTPIQ-QQXKLLMISA-N	1	0	371.481	1.865	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)Cn2ccc(C)n2)C[C@H]1c1ccccc1	ZINC001211678179	805311755	/nfs/dbraw/zinc/31/17/55/805311755.db2.gz	GIBJSVHBCZQEKB-VQTJNVASSA-N	1	0	368.481	1.978	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(CF)CCC1)C2	ZINC001112532192	807215963	/nfs/dbraw/zinc/21/59/63/807215963.db2.gz	MTPBJHKTRAVLEX-KXBFYZLASA-N	1	0	351.466	1.647	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N[C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)CC1	ZINC000981111471	807568472	/nfs/dbraw/zinc/56/84/72/807568472.db2.gz	OFCXKFADJOHMSU-DOTOQJQBSA-N	1	0	371.485	1.633	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1	ZINC000981111389	807568588	/nfs/dbraw/zinc/56/85/88/807568588.db2.gz	LVQFAGGPECNEMP-YXJHDRRASA-N	1	0	371.485	1.775	20	30		FDEDRO
C[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)CC1	ZINC000981184431	807641869	/nfs/dbraw/zinc/64/18/69/807641869.db2.gz	VVJWZJCMNILAKR-XJKSGUPXSA-N	1	0	357.458	1.243	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000981178228	807655006	/nfs/dbraw/zinc/65/50/06/807655006.db2.gz	OOVNXUOGPKFXIJ-HLPPOEQASA-N	1	0	357.458	1.241	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000981195720	807679801	/nfs/dbraw/zinc/67/98/01/807679801.db2.gz	YWRYVGKVWCYMQQ-IARIHHJXSA-N	1	0	357.458	1.241	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCn2cnccc2=O)C[C@H]1c1ccccc1	ZINC001211698279	807784216	/nfs/dbraw/zinc/78/42/16/807784216.db2.gz	GFHWNQLBKBTFDJ-RBUKOAKNSA-N	1	0	366.465	1.794	20	30		FDEDRO
N#CCC(=O)Nc1nc2ccccc2nc1NCC[NH+]1CCSCC1	ZINC001167835497	807825569	/nfs/dbraw/zinc/82/55/69/807825569.db2.gz	XATRSMQKNGNBOC-UHFFFAOYSA-N	1	0	356.455	1.943	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)n1	ZINC000279011317	808070308	/nfs/dbraw/zinc/07/03/08/808070308.db2.gz	SYRMBGMPGYHPBL-KRWDZBQOSA-N	1	0	360.506	1.074	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3ccoc3C)C2)CC1	ZINC000981544470	808114989	/nfs/dbraw/zinc/11/49/89/808114989.db2.gz	LAPHUMALZCNMBX-FUHWJXTLSA-N	1	0	371.481	1.948	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1	ZINC000981541527	808129662	/nfs/dbraw/zinc/12/96/62/808129662.db2.gz	XUCOTKAGAOFRJK-DAYGRLMNSA-N	1	0	371.485	1.775	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCOC4)[C@@H]3C2)cc1	ZINC001075600379	808482450	/nfs/dbraw/zinc/48/24/50/808482450.db2.gz	RSOUHMOKOYKUBH-YQVWRLOYSA-N	1	0	355.438	1.658	20	30		FDEDRO
C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCO[C@H]3c3nccn3C)C2)C1	ZINC000981821079	808557250	/nfs/dbraw/zinc/55/72/50/808557250.db2.gz	YODPJUPWLCLINY-IAGOWNOFSA-N	1	0	358.486	1.998	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001028138830	808612744	/nfs/dbraw/zinc/61/27/44/808612744.db2.gz	CGDHFUXAZJJTDC-FGTMMUONSA-N	1	0	354.454	1.363	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C(C)C)n[nH]1)C2	ZINC001112533548	808728476	/nfs/dbraw/zinc/72/84/76/808728476.db2.gz	QGKHUZAATAZKIC-YWZLYKJASA-N	1	0	371.485	1.114	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCCn2cncn2)C[C@H]1c1ccccc1	ZINC001211702906	808853232	/nfs/dbraw/zinc/85/32/32/808853232.db2.gz	KOCDHXOQSGARCS-RBUKOAKNSA-N	1	0	351.454	1.666	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000279323302	808921530	/nfs/dbraw/zinc/92/15/30/808921530.db2.gz	PFYGAECCNNNPNS-ZDUSSCGKSA-N	1	0	374.416	1.348	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CC(=O)NCC2CC2)C[C@H]1c1ccccc1	ZINC001211705338	809038734	/nfs/dbraw/zinc/03/87/34/809038734.db2.gz	FJQZOJQPYYAHOJ-RBUKOAKNSA-N	1	0	353.466	1.510	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2(C(=O)NC)CCC2)C[C@H]1c1ccccc1	ZINC001211713831	809077283	/nfs/dbraw/zinc/07/72/83/809077283.db2.gz	VIQMXCFVVPKBHO-ZWKOTPCHSA-N	1	0	353.466	1.510	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CCC(=O)N2)C1	ZINC001087439222	809083510	/nfs/dbraw/zinc/08/35/10/809083510.db2.gz	LXLCUQPCXKWXIG-IPMKNSEASA-N	1	0	353.466	1.653	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1c1ccccc1	ZINC001211718412	809217178	/nfs/dbraw/zinc/21/71/78/809217178.db2.gz	LTWWRHMOGBNUNK-DLBZAZTESA-N	1	0	370.453	1.041	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CNC(=O)c2ccco2)C[C@H]1c1ccccc1	ZINC001211718562	809221053	/nfs/dbraw/zinc/22/10/53/809221053.db2.gz	ULRLMIBWXKQUPH-ZWKOTPCHSA-N	1	0	365.433	1.617	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N(CCC)C1CC[NH2+]CC1	ZINC000418932706	809325525	/nfs/dbraw/zinc/32/55/25/809325525.db2.gz	HDFWJIDSUXRRPA-UHFFFAOYSA-N	1	0	359.470	1.858	20	30		FDEDRO
CCCN(CC[NH+]1CCCC1)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000512470254	809441231	/nfs/dbraw/zinc/44/12/31/809441231.db2.gz	WSKDGKTZJNZWEP-IBGZPJMESA-N	1	0	363.550	1.487	20	30		FDEDRO
C[C@H](C[NH3+])N(C)C(=O)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	ZINC000419039455	809445945	/nfs/dbraw/zinc/44/59/45/809445945.db2.gz	VSXMUTXPFMQORQ-IUDNXUCKSA-N	1	0	358.442	1.170	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N(CC[NH+](C)C)Cc1ccccn1	ZINC000500850511	809653737	/nfs/dbraw/zinc/65/37/37/809653737.db2.gz	BHHVMISWLKKXJK-UHFFFAOYSA-N	1	0	368.437	1.931	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(CNC(=O)[C@H]([NH3+])CCCC#N)cc2)C[C@H](C)O1	ZINC000424109630	815312789	/nfs/dbraw/zinc/31/27/89/815312789.db2.gz	WBXZWZFAPFHOGU-RVKKMQEKSA-N	1	0	372.469	1.573	20	30		FDEDRO
N#CCn1c(CN2CCC[C@@H](C3OCCO3)C2)nc2ccccc2c1=O	ZINC000728927985	809679434	/nfs/dbraw/zinc/67/94/34/809679434.db2.gz	JAVVOOZHHYRTHW-CQSZACIVSA-N	1	0	354.410	1.505	20	30		FDEDRO
COc1ccc(CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)cc1C#N	ZINC000893778683	809714912	/nfs/dbraw/zinc/71/49/12/809714912.db2.gz	NHAQOUJTLGXPHS-SJORKVTESA-N	1	0	358.442	1.307	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1	ZINC001087444724	809832607	/nfs/dbraw/zinc/83/26/07/809832607.db2.gz	RVYWKNMUIRKCEL-KURKYZTESA-N	1	0	356.470	1.690	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1	ZINC000473397008	809842955	/nfs/dbraw/zinc/84/29/55/809842955.db2.gz	ZJBIKWALVKUZPP-SFHVURJKSA-N	1	0	354.454	1.650	20	30		FDEDRO
CC(C)[N@H+](C)CCCNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000473398946	809849585	/nfs/dbraw/zinc/84/95/85/809849585.db2.gz	MGRZSAAWGWBKEN-GOSISDBHSA-N	1	0	356.470	1.896	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccnn2CCOC)C[C@H]1C(F)(F)F	ZINC001112119413	809969812	/nfs/dbraw/zinc/96/98/12/809969812.db2.gz	USTAVIMIHMROJQ-CHWSQXEVSA-N	1	0	360.380	1.698	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2CC(OC)C2)C[C@H]1C(F)(F)F	ZINC001112119438	809971559	/nfs/dbraw/zinc/97/15/59/809971559.db2.gz	WETFSZORJRSXCK-NWINJMCUSA-N	1	0	350.381	1.593	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CN2CCCC2=O)C1	ZINC001087452681	809972322	/nfs/dbraw/zinc/97/23/22/809972322.db2.gz	GFLCDVKGHJSBNI-RTBURBONSA-N	1	0	371.456	1.746	20	30		FDEDRO
C=CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cn2nccn2)C1	ZINC001087455577	810064125	/nfs/dbraw/zinc/06/41/25/810064125.db2.gz	AMTZKXZKTSNGHH-QZTJIDSGSA-N	1	0	357.433	1.968	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCC(C)(C)[C@@]2(O)CCCOC2)CC1	ZINC000664015499	810169897	/nfs/dbraw/zinc/16/98/97/810169897.db2.gz	IMHYVAWZTHWCOY-LJQANCHMSA-N	1	0	353.507	1.894	20	30		FDEDRO
C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)NCC(C)(C)C#N)CC1	ZINC000512773617	810208057	/nfs/dbraw/zinc/20/80/57/810208057.db2.gz	PEZKATIEZHRSIS-UHFFFAOYSA-N	1	0	365.522	1.662	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)cc1	ZINC000419274216	810299022	/nfs/dbraw/zinc/29/90/22/810299022.db2.gz	CIMPESXEDXCNSY-UHFFFAOYSA-N	1	0	350.422	1.552	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cncc(C)c4)[C@@H]3C2)C1=O	ZINC001075646184	810430904	/nfs/dbraw/zinc/43/09/04/810430904.db2.gz	KHDHPPKUEGQWRH-CGTJXYLNSA-N	1	0	354.454	1.323	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(CC#N)CC[C@@H]2c2cccc(F)c2)C1	ZINC001087459573	810503291	/nfs/dbraw/zinc/50/32/91/810503291.db2.gz	LJCMEWTVVJXTHB-KFKAGJAMSA-N	1	0	358.461	1.965	20	30		FDEDRO
C[NH+]=C(NCCN1C(=O)c2ccccc2C1=O)N[C@@H]1C[C@@H](OC)C1(C)C	ZINC000261742835	810596814	/nfs/dbraw/zinc/59/68/14/810596814.db2.gz	LERXYHXBEHIIHX-HUUCEWRRSA-N	1	0	358.442	1.261	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC(=O)NC2CCCC2)C1	ZINC001028549035	810616820	/nfs/dbraw/zinc/61/68/20/810616820.db2.gz	KSEFSABAPVRDSW-NXHRZFHOSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2)C1	ZINC001028549730	810619085	/nfs/dbraw/zinc/61/90/85/810619085.db2.gz	WPFAOLOIIATQQT-QRQLOZEOSA-N	1	0	371.481	1.705	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1	ZINC000424543895	815388450	/nfs/dbraw/zinc/38/84/50/815388450.db2.gz	KIGASXWNGHJPOY-FHWLQOOXSA-N	1	0	367.449	1.663	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)[nH]cc2NC(C)=O)C[C@H]1C(F)(F)F	ZINC001112124302	810690731	/nfs/dbraw/zinc/69/07/31/810690731.db2.gz	FGANRARHXMDUBC-TZMCWYRMSA-N	1	0	370.375	1.897	20	30		FDEDRO
C[NH+]=C(NCC(=O)N(C)C)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1	ZINC000261767276	810772202	/nfs/dbraw/zinc/77/22/02/810772202.db2.gz	NOYJFBRCAYHPSW-CQSZACIVSA-N	1	0	372.391	1.742	20	30		FDEDRO
CN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@H]1CCC[N@H+](C)C1	ZINC000894184054	810855326	/nfs/dbraw/zinc/85/53/26/810855326.db2.gz	DKEWZEXURPQVIS-SOUVJXGZSA-N	1	0	365.478	1.481	20	30		FDEDRO
CCCC[N@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000473517968	810936875	/nfs/dbraw/zinc/93/68/75/810936875.db2.gz	CFANRCPVZVOTLN-SFHVURJKSA-N	1	0	356.470	1.897	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)CCc4nnc[nH]4)[C@@H]3C2)cc1	ZINC001075662131	810950950	/nfs/dbraw/zinc/95/09/50/810950950.db2.gz	UUYONULVEKIPNQ-DLBZAZTESA-N	1	0	350.426	1.342	20	30		FDEDRO
C[NH+]=C(NCc1nnc(C)n1C)N[C@H]1CCCN(c2cccc(OC)c2)C1	ZINC000262000487	811364217	/nfs/dbraw/zinc/36/42/17/811364217.db2.gz	UGXWIRRHLALXLZ-HNNXBMFYSA-N	1	0	371.489	1.466	20	30		FDEDRO
NC(=O)C1CCN(c2ncccc2CNC(=[NH2+])NC2CCCCC2)CC1	ZINC000262016987	811368177	/nfs/dbraw/zinc/36/81/77/811368177.db2.gz	WKMACTNCIGZMCI-UHFFFAOYSA-N	1	0	358.490	1.520	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@H]1CCOc2ccccc21)=[NH+]C[C@H]1CCCCO1	ZINC000262252569	811424383	/nfs/dbraw/zinc/42/43/83/811424383.db2.gz	CEAICZBXSNCTQR-WBVHZDCISA-N	1	0	374.485	1.703	20	30		FDEDRO
Cc1ccccc1[C@H]1CCN(C(NCC(=O)N(C)C)=[NH+]C2CCOCC2)C1	ZINC000262285659	811432416	/nfs/dbraw/zinc/43/24/16/811432416.db2.gz	KCOAZWQMVPZGKF-KRWDZBQOSA-N	1	0	372.513	1.997	20	30		FDEDRO
CN(C(=[NH2+])NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)C1CC1	ZINC000262413654	811461947	/nfs/dbraw/zinc/46/19/47/811461947.db2.gz	YNJRXNJQCSQVFM-UHFFFAOYSA-N	1	0	355.442	1.965	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cn2nccn2)C1	ZINC001087465420	811482489	/nfs/dbraw/zinc/48/24/89/811482489.db2.gz	OCBBDSQTGYHZHL-QZTJIDSGSA-N	1	0	355.417	1.415	20	30		FDEDRO
[NH2+]=C(NCc1csc(-c2ccco2)n1)N1CCN(c2ncccn2)CC1	ZINC000262527579	811485493	/nfs/dbraw/zinc/48/54/93/811485493.db2.gz	OYGQNRFLRSPSTK-UHFFFAOYSA-N	1	0	369.454	1.830	20	30		FDEDRO
CC[NH+]=C(NCc1cc2c(cc1OC)C[C@@H](C)O2)N1CCN(C(C)=O)CC1	ZINC000262748222	811544691	/nfs/dbraw/zinc/54/46/91/811544691.db2.gz	FKFDXDNEDLSRQX-CQSZACIVSA-N	1	0	374.485	1.648	20	30		FDEDRO
C[C@@H]1C[NH+](C[C@H](O)CN2CCN([C@H](C#N)c3ccccc3)CC2)C[C@@H](C)O1	ZINC000513503297	811566481	/nfs/dbraw/zinc/56/64/81/811566481.db2.gz	OOTTTXPCSFEOMU-VURPSTOHSA-N	1	0	372.513	1.339	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1	ZINC000513575521	811627761	/nfs/dbraw/zinc/62/77/61/811627761.db2.gz	XSFUODCDRXWLCM-CQSZACIVSA-N	1	0	373.457	1.343	20	30		FDEDRO
N#CC1(CNC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)CCC1	ZINC000419628892	812050026	/nfs/dbraw/zinc/05/00/26/812050026.db2.gz	QLIQQEACKFQMTK-MSOLQXFVSA-N	1	0	356.470	1.862	20	30		FDEDRO
CN(C)c1ncc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1C	ZINC000419672165	812083663	/nfs/dbraw/zinc/08/36/63/812083663.db2.gz	AIYBCBSFADURMZ-KRWDZBQOSA-N	1	0	352.442	1.643	20	30		FDEDRO
N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCC[NH+]2CCC2)CC1	ZINC000505392656	815508170	/nfs/dbraw/zinc/50/81/70/815508170.db2.gz	WNUBDLOOSXLDAA-UHFFFAOYSA-N	1	0	369.425	1.845	20	30		FDEDRO
N#Cc1cccc(CCNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1	ZINC000419715855	812129759	/nfs/dbraw/zinc/12/97/59/812129759.db2.gz	ZXBULQNXRLHSHK-GOSISDBHSA-N	1	0	354.454	1.208	20	30		FDEDRO
N#Cc1cccc([C@H]2CN(C(=O)C(=O)NCC3([NH3+])CCCCC3)CCO2)c1	ZINC000419802081	812197098	/nfs/dbraw/zinc/19/70/98/812197098.db2.gz	LBPVSDONGADLID-QGZVFWFLSA-N	1	0	370.453	1.236	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)NC[C@H]1CCC[NH2+]C1	ZINC000419869610	812266026	/nfs/dbraw/zinc/26/60/26/812266026.db2.gz	WLYNIFGCFASEBM-CGTJXYLNSA-N	1	0	354.454	1.401	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1	ZINC000419891843	812277979	/nfs/dbraw/zinc/27/79/79/812277979.db2.gz	NRVQCEVGEWOGHD-QAPCUYQASA-N	1	0	356.470	1.800	20	30		FDEDRO
C[NH2+]CCNC(=O)C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	ZINC000419901651	812282207	/nfs/dbraw/zinc/28/22/07/812282207.db2.gz	UUFYSSFQQRSROS-UHFFFAOYSA-N	1	0	368.412	1.562	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+]	ZINC000420066742	813432238	/nfs/dbraw/zinc/43/22/38/813432238.db2.gz	RBRSZNKFJIXMII-MKXGPGLRSA-N	1	0	368.481	1.918	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1	ZINC000420106305	813461626	/nfs/dbraw/zinc/46/16/26/813461626.db2.gz	RMUFJXGOLYKIHU-FQEVSTJZSA-N	1	0	356.470	1.803	20	30		FDEDRO
C=C1CCC(C(=O)NC[C@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)CC1	ZINC000982927793	813481850	/nfs/dbraw/zinc/48/18/50/813481850.db2.gz	VEOWPQVGQPOZOG-JFIYKMOQSA-N	1	0	363.502	1.417	20	30		FDEDRO
C[C@]1(CNC(=O)C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CCC[NH2+]C1	ZINC000420126989	813490313	/nfs/dbraw/zinc/49/03/13/813490313.db2.gz	SHXUTIMOTVRGBW-UEXGIBASSA-N	1	0	368.481	1.791	20	30		FDEDRO
C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	ZINC000420176450	813514792	/nfs/dbraw/zinc/51/47/92/813514792.db2.gz	ZTIOQDPDBTYUKQ-RANZSIQMSA-N	1	0	354.454	1.541	20	30		FDEDRO
N#Cc1cccc(OC2CCN(C(=O)C(=O)N[C@H]3CC[C@H](C[NH3+])C3)CC2)c1	ZINC000420185876	813519586	/nfs/dbraw/zinc/51/95/86/813519586.db2.gz	BZOGLHRBUHZOHK-HOTGVXAUSA-N	1	0	370.453	1.172	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1	ZINC000982942983	813572941	/nfs/dbraw/zinc/57/29/41/813572941.db2.gz	UBIABYVWUPBOIB-NXHRZFHOSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000501691035	813600816	/nfs/dbraw/zinc/60/08/16/813600816.db2.gz	SNODFLBIEORMGI-HKUYNNGSSA-N	1	0	373.497	1.674	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC[C@H]2CCCO2)C1	ZINC001104163486	813602003	/nfs/dbraw/zinc/60/20/03/813602003.db2.gz	JBKWXDAIVPJPDR-KZNAEPCWSA-N	1	0	363.502	1.015	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCNC(=O)C4)[C@@H]3C2)cc1	ZINC001075683726	813671283	/nfs/dbraw/zinc/67/12/83/813671283.db2.gz	IWGGZEJUOCPGOK-FGTMMUONSA-N	1	0	352.438	1.117	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1	ZINC000420959194	813885357	/nfs/dbraw/zinc/88/53/57/813885357.db2.gz	DMLFASOJSUUZAG-RBSFLKMASA-N	1	0	372.387	1.750	20	30		FDEDRO
COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)c2ccc(C#N)cc2)cc1	ZINC000366941278	814145148	/nfs/dbraw/zinc/14/51/48/814145148.db2.gz	PPSIMYCVEBEARF-OALUTQOASA-N	1	0	371.462	1.991	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(O)cc1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1	ZINC000261844546	814218827	/nfs/dbraw/zinc/21/88/27/814218827.db2.gz	XDIMZYJKKODFSN-IBGZPJMESA-N	1	0	373.457	1.168	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cn1	ZINC000983054448	814232840	/nfs/dbraw/zinc/23/28/40/814232840.db2.gz	OZCUREYNOWFNNL-AYOQOUSVSA-N	1	0	368.481	1.372	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1	ZINC000367089362	814318440	/nfs/dbraw/zinc/31/84/40/814318440.db2.gz	JJKYOJCDGGIERO-RBUKOAKNSA-N	1	0	372.469	1.752	20	30		FDEDRO
C[NH+]=C(NCCSc1ccccc1)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261856805	814619422	/nfs/dbraw/zinc/61/94/22/814619422.db2.gz	XYYAIGHEZVFGAM-UHFFFAOYSA-N	1	0	372.498	1.436	20	30		FDEDRO
COc1ccc([C@@H](CNC(=[NH2+])N(C)C2CC2)N2CCOCC2)cc1OC	ZINC000273338747	814792963	/nfs/dbraw/zinc/79/29/63/814792963.db2.gz	MAOIKWZAZQXWIL-MRXNPFEDSA-N	1	0	362.474	1.486	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC(C)(C)CC#N)[C@H](C)C1	ZINC000422320329	814808132	/nfs/dbraw/zinc/80/81/32/814808132.db2.gz	APRQOPDLCNZJTJ-HZPDHXFCSA-N	1	0	366.506	1.296	20	30		FDEDRO
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CC[NH+](C2CCOCC2)CC1	ZINC000503408162	814828120	/nfs/dbraw/zinc/82/81/20/814828120.db2.gz	RPNARRNIMWLQHV-IBGZPJMESA-N	1	0	365.474	1.571	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1	ZINC000434557755	815602722	/nfs/dbraw/zinc/60/27/22/815602722.db2.gz	SOKNUOITDAMKTH-HNNXBMFYSA-N	1	0	356.426	1.638	20	30		FDEDRO
C=CC[C@]1(C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2C)CCCN1C(=O)OC(C)(C)C	ZINC000924981717	815649480	/nfs/dbraw/zinc/64/94/80/815649480.db2.gz	LQFKDBQRZFLUOC-SPYBWZPUSA-N	1	0	367.490	1.513	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[NH+]1CCC([C@H](O)C(=O)NC2CC2)CC1	ZINC000434715520	815697460	/nfs/dbraw/zinc/69/74/60/815697460.db2.gz	ZKZWPJLIRBZGFF-IBGZPJMESA-N	1	0	373.453	1.297	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)cc1	ZINC001028807068	815758612	/nfs/dbraw/zinc/75/86/12/815758612.db2.gz	XYCQTQUXHJKHHM-KSZLIROESA-N	1	0	354.454	1.398	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ncnn1CC(C)C	ZINC001167957061	815867391	/nfs/dbraw/zinc/86/73/91/815867391.db2.gz	TYUCTYNSVIULGE-WMZOPIPTSA-N	1	0	363.506	1.901	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC(C)(C)CC	ZINC001167957364	815894043	/nfs/dbraw/zinc/89/40/43/815894043.db2.gz	VMBGMPHAMRUBIK-RDJZCZTQSA-N	1	0	353.507	1.758	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ncnn1CCF	ZINC001167957589	815902232	/nfs/dbraw/zinc/90/22/32/815902232.db2.gz	YVMRJBYAHAPUMG-HOCLYGCPSA-N	1	0	353.442	1.215	20	30		FDEDRO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1	ZINC000425384289	816054053	/nfs/dbraw/zinc/05/40/53/816054053.db2.gz	LSKKPPZQEJTCSE-DOTOQJQBSA-N	1	0	356.470	1.878	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1	ZINC001087466158	816115886	/nfs/dbraw/zinc/11/58/86/816115886.db2.gz	CIGADXDNHJATBZ-ZACQAIPSSA-N	1	0	360.433	1.309	20	30		FDEDRO
C=CCn1cc(CNC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)nn1	ZINC000425397361	816124536	/nfs/dbraw/zinc/12/45/36/816124536.db2.gz	LVRKSCKIHBJBRM-HNNXBMFYSA-N	1	0	354.458	1.710	20	30		FDEDRO
CC(C)NC(=O)Cn1c2c(cc(C#N)c1=O)C[N@@H+](Cc1ccccc1)CC2	ZINC000515435020	816267968	/nfs/dbraw/zinc/26/79/68/816267968.db2.gz	UDMDYQJKLSRPAT-UHFFFAOYSA-N	1	0	364.449	1.803	20	30		FDEDRO
C=CCn1cc(CNC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)nn1	ZINC000425447682	816299302	/nfs/dbraw/zinc/29/93/02/816299302.db2.gz	HKHRPZLOZJYHGJ-SFHVURJKSA-N	1	0	354.458	1.928	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccncc1OCC[NH+](C)C	ZINC000516600964	816917945	/nfs/dbraw/zinc/91/79/45/816917945.db2.gz	MRYITXLYWRVHSJ-HNNXBMFYSA-N	1	0	368.437	1.977	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(C(=O)c3cc(C)n[nH]3)C[C@H]2C)CC1	ZINC000516910383	817089930	/nfs/dbraw/zinc/08/99/30/817089930.db2.gz	BKAGDVBYWGBZHK-OAHLLOKOSA-N	1	0	374.489	1.224	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(CC[NH3+])CC1	ZINC000517035422	817179285	/nfs/dbraw/zinc/17/92/85/817179285.db2.gz	IRQDJEWCIACJTD-UHFFFAOYSA-N	1	0	358.442	1.871	20	30		FDEDRO
CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[C@H](C#N)C1	ZINC000425853675	817230624	/nfs/dbraw/zinc/23/06/24/817230624.db2.gz	WKZSEQCEJOEQJL-NLWGTHIKSA-N	1	0	356.470	1.957	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000425855057	817239772	/nfs/dbraw/zinc/23/97/72/817239772.db2.gz	LQIZDRPRZGJENU-ZJOUEHCJSA-N	1	0	373.497	1.856	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1	ZINC000425872411	817275204	/nfs/dbraw/zinc/27/52/04/817275204.db2.gz	YSRROFODFILNHP-FHWLQOOXSA-N	1	0	371.481	1.647	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C	ZINC000425872925	817276686	/nfs/dbraw/zinc/27/66/86/817276686.db2.gz	OYKKJHKWJKDWMU-XIRDDKMYSA-N	1	0	363.433	1.252	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H](c1ccco1)[NH+](CC)CC	ZINC000425874634	817289113	/nfs/dbraw/zinc/28/91/13/817289113.db2.gz	CUALRVYGQFINEZ-XHSDSOJGSA-N	1	0	363.458	1.486	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCCN(c3ncccn3)C2)cc1	ZINC000517210657	817322811	/nfs/dbraw/zinc/32/28/11/817322811.db2.gz	QFWGDZVUFHTRQN-INIZCTEOSA-N	1	0	371.466	1.381	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1	ZINC000425908167	817347635	/nfs/dbraw/zinc/34/76/35/817347635.db2.gz	GAERVPQDCXONSQ-LSDHHAIUSA-N	1	0	354.454	1.844	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1	ZINC000517453947	817449384	/nfs/dbraw/zinc/44/93/84/817449384.db2.gz	VDTRLMDTPZVYBY-ZIAGYGMSSA-N	1	0	358.442	1.742	20	30		FDEDRO
CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CSCC#N)C1	ZINC001111601365	817641560	/nfs/dbraw/zinc/64/15/60/817641560.db2.gz	XVJVWPBSDZFVTM-ZQIUZPCESA-N	1	0	352.504	1.258	20	30		FDEDRO
CC(=O)Nc1cccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1C	ZINC000438740792	817688983	/nfs/dbraw/zinc/68/89/83/817688983.db2.gz	PMYRTNUGAPQSIA-UHFFFAOYSA-N	1	0	373.457	1.586	20	30		FDEDRO
C=CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1	ZINC001087467381	817811411	/nfs/dbraw/zinc/81/14/11/817811411.db2.gz	SZHKNFVZPXIGRB-HLIPFELVSA-N	1	0	359.445	1.955	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@]2(C)CCNC2=O)C1	ZINC001087467798	817913136	/nfs/dbraw/zinc/91/31/36/817913136.db2.gz	QIDODIYDFZURBH-HLIPFELVSA-N	1	0	359.445	1.812	20	30		FDEDRO
C[C@@]1(C#N)CN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCO1	ZINC000894437326	818055008	/nfs/dbraw/zinc/05/50/08/818055008.db2.gz	NNJTVBFJUOIXRD-AZUAARDMSA-N	1	0	372.469	1.602	20	30		FDEDRO
CCOc1ccc([C@@H]2CCN(CC#N)C[C@@H]2NC(=O)C[NH+]2CCCC2)cc1	ZINC001087471482	818080793	/nfs/dbraw/zinc/08/07/93/818080793.db2.gz	HBDDPQOZTKWTNY-PMACEKPBSA-N	1	0	370.497	1.979	20	30		FDEDRO
COc1ccc([C@@H]2CC[N@H+](CCO)C[C@@H]2NC(=O)c2c[nH]c(C#N)c2)cc1	ZINC001087473425	818214693	/nfs/dbraw/zinc/21/46/93/818214693.db2.gz	DDOCFRCVSHPVPF-OALUTQOASA-N	1	0	368.437	1.475	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CCNC2=O)C1	ZINC001087474975	818294861	/nfs/dbraw/zinc/29/48/61/818294861.db2.gz	JPYCBBJILHDIOW-OTWHNJEPSA-N	1	0	371.481	1.682	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1	ZINC000937411490	818359606	/nfs/dbraw/zinc/35/96/06/818359606.db2.gz	LNEFOEQHGIWTRR-LNLFQRSKSA-N	1	0	363.502	1.561	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CCC[N@@H+]2C)c1	ZINC000983675665	818519491	/nfs/dbraw/zinc/51/94/91/818519491.db2.gz	NFWGKCKXVRQCJD-MNEFBYGVSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#CCOc1ccc(NC(=O)NCCCC[NH+]2CCC(C(N)=O)CC2)cc1	ZINC000108521603	818561010	/nfs/dbraw/zinc/56/10/10/818561010.db2.gz	PCDZTBWSFKEWQB-UHFFFAOYSA-N	1	0	372.469	1.798	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1	ZINC000983720094	818704139	/nfs/dbraw/zinc/70/41/39/818704139.db2.gz	HFXYENYMLZRAFR-PBHICJAKSA-N	1	0	371.485	1.585	20	30		FDEDRO
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000507310009	818720661	/nfs/dbraw/zinc/72/06/61/818720661.db2.gz	AXYWNJKBPHZQAK-DNVCBOLYSA-N	1	0	365.474	1.429	20	30		FDEDRO
C=CCOc1ccc(CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)cc1	ZINC000664865975	818739052	/nfs/dbraw/zinc/73/90/52/818739052.db2.gz	DZPXGTALNFDHLJ-UHFFFAOYSA-N	1	0	362.474	1.413	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1c(=O)[nH]c3ccccc31)C2	ZINC001112535845	819120229	/nfs/dbraw/zinc/12/02/29/819120229.db2.gz	DCADNQSOQPBEHG-KKSFZXQISA-N	1	0	366.465	1.984	20	30		FDEDRO
COc1ccc(C#N)cc1CN1C[C@@H]2CCN(C(=O)c3n[nH]cc3C)[C@@H]2C1	ZINC001075773100	819141731	/nfs/dbraw/zinc/14/17/31/819141731.db2.gz	OBVJKKSCCALLTJ-DOTOQJQBSA-N	1	0	365.437	1.945	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3cnn(C)c3C2)C[C@H]1C(F)(F)F	ZINC001112151921	819224296	/nfs/dbraw/zinc/22/42/96/819224296.db2.gz	BJRPQBGWKPNHPE-BPLDGKMQSA-N	1	0	368.403	1.527	20	30		FDEDRO
C=CCn1cc(C[NH2+]C2CCN(CCNC(=O)OC(C)(C)C)CC2)nn1	ZINC000895005859	819453328	/nfs/dbraw/zinc/45/33/28/819453328.db2.gz	JSDIOSOLFILUFY-UHFFFAOYSA-N	1	0	364.494	1.543	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)Cn2ccc(=O)c3ccccc32)CC1(C)C	ZINC000328653780	819523341	/nfs/dbraw/zinc/52/33/41/819523341.db2.gz	CIXAXPYYLGJGIU-UHFFFAOYSA-N	1	0	356.470	1.984	20	30		FDEDRO
O=C(N[C@H]1CCC(=O)NC12CCC2)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000328733855	819549288	/nfs/dbraw/zinc/54/92/88/819549288.db2.gz	HZSIMJRBYGMMJY-HOTGVXAUSA-N	1	0	364.490	1.986	20	30		FDEDRO
COCC1(O)CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1	ZINC000328810148	819551250	/nfs/dbraw/zinc/55/12/50/819551250.db2.gz	DUIOWYSWWLIHON-IAGOWNOFSA-N	1	0	369.506	1.142	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2	ZINC000937439200	819552111	/nfs/dbraw/zinc/55/21/11/819552111.db2.gz	NSVLNPGEZHNSOK-BBWFWOEESA-N	1	0	361.486	1.171	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)C3(OC)CCOCC3)cn2)CC1	ZINC000328862145	819569293	/nfs/dbraw/zinc/56/92/93/819569293.db2.gz	MCPPUXXGZKFCPU-UHFFFAOYSA-N	1	0	362.474	1.876	20	30		FDEDRO
Cc1noc([C@@H]2CCN(C(=O)Nc3ccc(N4CCOCC4)nc3C)C2)n1	ZINC000328937106	819584111	/nfs/dbraw/zinc/58/41/11/819584111.db2.gz	CVHXCWKRFMFDRU-CQSZACIVSA-N	1	0	372.429	1.953	20	30		FDEDRO
Cc1ccc(N2CCC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NCC(C)C)C2)nn1	ZINC000330717384	819636811	/nfs/dbraw/zinc/63/68/11/819636811.db2.gz	VDPPAVZYIMTWFW-CABCVRRESA-N	1	0	362.478	1.418	20	30		FDEDRO
Cc1ccccc1CC(=O)N1CCN(C(=O)N[C@@H](C)CC[NH+](C)C)CC1	ZINC000330777249	819641799	/nfs/dbraw/zinc/64/17/99/819641799.db2.gz	KAQIXACGTAWXAS-KRWDZBQOSA-N	1	0	360.502	1.936	20	30		FDEDRO
C=C(Br)CN1C[C@@H]2CCN(C(=O)Cc3ccn(C)n3)[C@@H]2C1	ZINC001075782741	819725266	/nfs/dbraw/zinc/72/52/66/819725266.db2.gz	PUDIQOXUPIOODG-GXTWGEPZSA-N	1	0	353.264	1.404	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)[C@@H](CC)[NH+](C)C)c1	ZINC000983886234	819933283	/nfs/dbraw/zinc/93/32/83/819933283.db2.gz	PHVPJZVOJRMYBI-AYOQOUSVSA-N	1	0	370.497	1.760	20	30		FDEDRO
C#CCNC(=O)CN[C@@H]1CN(C(=O)c2occc2CC)C[C@H]1C(F)(F)F	ZINC001112158975	820298145	/nfs/dbraw/zinc/29/81/45/820298145.db2.gz	IQTDPOTYKDNWSC-CHWSQXEVSA-N	1	0	371.359	1.184	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2ccc(OCCO)c(OC)c2)CC1	ZINC000520709327	820425768	/nfs/dbraw/zinc/42/57/68/820425768.db2.gz	IVWRTKLHAFGRJR-UHFFFAOYSA-N	1	0	363.458	1.516	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C2)CC1	ZINC001112160123	820438106	/nfs/dbraw/zinc/43/81/06/820438106.db2.gz	SVZFFKKKIHSDST-HUUCEWRRSA-N	1	0	364.408	1.721	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3n[nH]c(C)c3C)[C@H]2CC)C1=O	ZINC001087525223	820481884	/nfs/dbraw/zinc/48/18/84/820481884.db2.gz	LJNVHCPDFDHESG-ARFHVFGLSA-N	1	0	359.474	1.396	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C	ZINC000984037930	820631138	/nfs/dbraw/zinc/63/11/38/820631138.db2.gz	OIGFKVLMUMABMM-ILXRZTDVSA-N	1	0	357.458	1.664	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCc3cnn(C)c3)C[C@H]21	ZINC001075805557	820715230	/nfs/dbraw/zinc/71/52/30/820715230.db2.gz	ZONXERPBLROTPY-MANSERQUSA-N	1	0	358.486	1.477	20	30		FDEDRO
CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1nn(C(C)C)cc1C#N	ZINC000508018038	820825655	/nfs/dbraw/zinc/82/56/55/820825655.db2.gz	KLVJOSOJRAOKLY-UHFFFAOYSA-N	1	0	374.489	1.999	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2COCCN2C)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087547282	821285142	/nfs/dbraw/zinc/28/51/42/821285142.db2.gz	BSNPCJPLMNRYMU-BBWFWOEESA-N	1	0	362.499	1.419	20	30		FDEDRO
COCCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1nc(C)ccc1C#N	ZINC001126538742	821428625	/nfs/dbraw/zinc/42/86/25/821428625.db2.gz	UHDLOKWLSFBSAF-NVXWUHKLSA-N	1	0	359.474	1.171	20	30		FDEDRO
COCCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(C#N)c(C)n1	ZINC001126538819	821434058	/nfs/dbraw/zinc/43/40/58/821434058.db2.gz	VPWVUEMRSFMCEX-NVXWUHKLSA-N	1	0	359.474	1.171	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)Cc2nnc(C)[nH]2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087567919	821542695	/nfs/dbraw/zinc/54/26/95/821542695.db2.gz	NUMAFVNCHUFOHL-ZWKOTPCHSA-N	1	0	351.454	1.676	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087592680	821637818	/nfs/dbraw/zinc/63/78/18/821637818.db2.gz	UNKJCYDMLVDSNV-FGTMMUONSA-N	1	0	354.454	1.506	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2oc(C)nc2C)[C@@H]1CC	ZINC001087606934	821713434	/nfs/dbraw/zinc/71/34/34/821713434.db2.gz	AEAPILJJEZWGAY-KSZLIROESA-N	1	0	358.486	1.858	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2nccnc2C)[C@@H]1CC	ZINC001087607214	821714673	/nfs/dbraw/zinc/71/46/73/821714673.db2.gz	RJYKYJCKBUBKBG-UHOSZYNNSA-N	1	0	355.486	1.352	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)[C@H]1CC	ZINC001087609584	821727850	/nfs/dbraw/zinc/72/78/50/821727850.db2.gz	UHTJAGBZNNHRJK-SFNKJDCFSA-N	1	0	358.486	1.973	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)CN2CCCNC2=O)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087639527	821906873	/nfs/dbraw/zinc/90/68/73/821906873.db2.gz	BRJWCGFDPHQSHH-ZWKOTPCHSA-N	1	0	369.469	1.443	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087687185	822040851	/nfs/dbraw/zinc/04/08/51/822040851.db2.gz	QTJQLGKXXOHVRJ-RRFJBIMHSA-N	1	0	361.471	1.112	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3csc(=O)[nH]3)[C@H]2CC)C1=O	ZINC001087693752	822063741	/nfs/dbraw/zinc/06/37/41/822063741.db2.gz	UZNFHGUJIPZYFD-IACUBPJLSA-N	1	0	364.471	1.218	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCN(CC=C)C3=O)[C@@H]2CC)c1	ZINC001087718828	822185098	/nfs/dbraw/zinc/18/50/98/822185098.db2.gz	LJFBYIZASOBVDC-OTWHNJEPSA-N	1	0	366.465	1.433	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](C)O[C@@H](C)[C@@H]3C)CC2)o1	ZINC000446061934	828414103	/nfs/dbraw/zinc/41/41/03/828414103.db2.gz	MVFYIXPDOZHDSO-IHRRRGAJSA-N	1	0	361.446	1.001	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](C[C@@H]3CCCOC3)[C@@H]2CC)nn1	ZINC001087754788	822370258	/nfs/dbraw/zinc/37/02/58/822370258.db2.gz	ABYIQTYORRYZDM-XYJFISCASA-N	1	0	361.490	1.864	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCc2cnn(C)c2)[C@@H]1CC	ZINC001087758732	822372243	/nfs/dbraw/zinc/37/22/43/822372243.db2.gz	IXIWZNCQWMEGMF-OKYOBFRVSA-N	1	0	360.502	1.913	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C[C@H]3CCc4ncnn43)[C@@H]2CC)nc1	ZINC001087802542	822462408	/nfs/dbraw/zinc/46/24/08/822462408.db2.gz	WHTFILSCBMYFIC-SOLBZPMBSA-N	1	0	364.453	1.425	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N2)CC[N@@H+]1Cc1ccc(C#N)c(F)c1	ZINC001087802935	822462989	/nfs/dbraw/zinc/46/29/89/822462989.db2.gz	SFZREINXBIPIBS-YESZJQIVSA-N	1	0	358.417	1.445	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccnc(C)n3)[C@H]2CC)C1=O	ZINC001087833445	822537876	/nfs/dbraw/zinc/53/78/76/822537876.db2.gz	ALTXDXHHWIWXDA-USXIJHARSA-N	1	0	357.458	1.155	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCCO3)[C@H]2CC)CC1	ZINC000984503722	822648537	/nfs/dbraw/zinc/64/85/37/822648537.db2.gz	JEZIZHIQJIINFX-KSZLIROESA-N	1	0	361.486	1.006	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@H]3CC34CC(O)C4)CC2)c1	ZINC000895594158	822666922	/nfs/dbraw/zinc/66/69/22/822666922.db2.gz	JSWPXJQTDMLSHO-FDYSRKEFSA-N	1	0	354.454	1.735	20	30		FDEDRO
N#Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)C4=COCCO4)C[C@@H]3C2)ccc1F	ZINC001087874392	822669575	/nfs/dbraw/zinc/66/95/75/822669575.db2.gz	VFLIYBWIWXTGHS-WBVHZDCISA-N	1	0	371.412	1.866	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccoc4C)C[C@@H]3C2)C1=O	ZINC001087878823	822696338	/nfs/dbraw/zinc/69/63/38/822696338.db2.gz	PSSPXXGMCVTCAL-RYRKJORJSA-N	1	0	357.454	1.769	20	30		FDEDRO
C#CCN1CCC[C@@H]([NH2+]C2CC(C(=O)OC(C)C)(C(=O)OC(C)C)C2)C1	ZINC000895746647	822726879	/nfs/dbraw/zinc/72/68/79/822726879.db2.gz	AXPHVXJWNGWVPE-MRXNPFEDSA-N	1	0	364.486	1.726	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc[nH]n3)C[C@@H]2C1	ZINC001087893759	822741254	/nfs/dbraw/zinc/74/12/54/822741254.db2.gz	VIKWHRPVZAFSAL-WBVHZDCISA-N	1	0	365.437	1.884	20	30		FDEDRO
C#CC[NH+]1CCC(Nc2ccc(S(=O)(=O)N3CCCCC3)cn2)CC1	ZINC000895804969	822753334	/nfs/dbraw/zinc/75/33/34/822753334.db2.gz	XQFVWIPQHYMEPL-UHFFFAOYSA-N	1	0	362.499	1.766	20	30		FDEDRO
CO[C@@H](C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)CC[C@@H]2C1	ZINC001087901417	822772772	/nfs/dbraw/zinc/77/27/72/822772772.db2.gz	JFZOZEBUFZPKMU-JQHSSLGASA-N	1	0	357.454	1.904	20	30		FDEDRO
C[N@@H+](Cc1ccccc1C#N)C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC001029841059	828492054	/nfs/dbraw/zinc/49/20/54/828492054.db2.gz	JDXKIFBNIROOTA-BBWFWOEESA-N	1	0	368.481	1.740	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cnn(CC)c4)C[C@@H]3C2)C1=O	ZINC001087912677	823785117	/nfs/dbraw/zinc/78/51/17/823785117.db2.gz	BSJIQXJADIXPAF-BPQIPLTHSA-N	1	0	371.485	1.084	20	30		FDEDRO
C[C@H](c1cnccn1)[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C1	ZINC001087925339	823936912	/nfs/dbraw/zinc/93/69/12/823936912.db2.gz	HUIKGKNIQRVJLV-BMFZPTHFSA-N	1	0	350.426	1.831	20	30		FDEDRO
CC(=O)N1CC(C(=O)N2C[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)CC[C@@H]3C2)C1	ZINC001087948046	824093729	/nfs/dbraw/zinc/09/37/29/824093729.db2.gz	GXEQNKJKSOXGIX-MOPGFXCFSA-N	1	0	366.465	1.317	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[NH+](CCCCCNc2ncncc2C#N)CC1	ZINC000896165127	824125312	/nfs/dbraw/zinc/12/53/12/824125312.db2.gz	AJYLPVMJJKEJGG-UHFFFAOYSA-N	1	0	374.489	1.905	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(C(=O)C[C@H]2CCC3(CCC3)CO2)CC1	ZINC000896181095	824160728	/nfs/dbraw/zinc/16/07/28/824160728.db2.gz	HGGRWJKFKVRZNG-QGZVFWFLSA-N	1	0	361.486	1.010	20	30		FDEDRO
CO[C@@H]1C[N@H+](C[C@@H]2CCCC(F)(F)C2)C[C@H]1NC(=O)CSCC#N	ZINC001211886738	824168261	/nfs/dbraw/zinc/16/82/61/824168261.db2.gz	WKDFIOBDRYHRCW-MGPQQGTHSA-N	1	0	361.458	1.884	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)CO[C@H]4CCOC4)C[C@@H]3C2)c1	ZINC001087964341	824217193	/nfs/dbraw/zinc/21/71/93/824217193.db2.gz	HHGZPBZVHQHPFY-AABGKKOBSA-N	1	0	369.465	1.644	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCc3cnn(C)c3)CC[C@@H]2C1	ZINC001087970032	824273024	/nfs/dbraw/zinc/27/30/24/824273024.db2.gz	AOBLWEYUJIDSBL-WCIQWLHISA-N	1	0	372.513	1.724	20	30		FDEDRO
COc1ccc([C@@H]([NH2+]C(C)C)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1	ZINC000896314289	824308834	/nfs/dbraw/zinc/30/88/34/824308834.db2.gz	FMCHXJXGVHQFNL-IEBWSBKVSA-N	1	0	356.470	1.933	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cnn4c3cccc4OC)C[C@@H]2C1	ZINC001087983942	824425909	/nfs/dbraw/zinc/42/59/09/824425909.db2.gz	AFOWNYWXKWZHCA-CVEARBPZSA-N	1	0	352.438	1.760	20	30		FDEDRO
CN1CCOC[C@@H]1C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1	ZINC000329039351	824540498	/nfs/dbraw/zinc/54/04/98/824540498.db2.gz	SIAOFJYVWOTARB-GOSISDBHSA-N	1	0	365.449	1.956	20	30		FDEDRO
Cn1cncc1[C@H]1[C@H](NC(=O)CN2CCCCC2=O)CCC(=O)N1C1CC1	ZINC000329046415	824546392	/nfs/dbraw/zinc/54/63/92/824546392.db2.gz	JPLIRWMGMKOVFG-AUUYWEPGSA-N	1	0	373.457	1.584	20	30		FDEDRO
CO[C@@H]1C[C@@H](c2nnc(C3CC3)[nH]2)N(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C1	ZINC000329086738	824569526	/nfs/dbraw/zinc/56/95/26/824569526.db2.gz	UUKUUDYRMOGIFH-NGFQHRJXSA-N	1	0	362.478	1.841	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)NCCC2CC[NH+](C)CC2)C1	ZINC000329113226	824601069	/nfs/dbraw/zinc/60/10/69/824601069.db2.gz	HIXGGAFCSJOEKE-IRXDYDNUSA-N	1	0	366.506	1.344	20	30		FDEDRO
COCCn1nc(C)c(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1C	ZINC000329148180	824626671	/nfs/dbraw/zinc/62/66/71/824626671.db2.gz	PNFUURVRLPDNOT-MRXNPFEDSA-N	1	0	365.478	1.346	20	30		FDEDRO
CC(C)c1cc(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)cc(=O)[nH]1	ZINC000329159502	824633769	/nfs/dbraw/zinc/63/37/69/824633769.db2.gz	DVCCNVAHFOJVPF-INIZCTEOSA-N	1	0	360.458	1.910	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)Cc3ccc4c(c3)OCO4)CC2)C1=O	ZINC000329202052	824665141	/nfs/dbraw/zinc/66/51/41/824665141.db2.gz	WVTRIMPLHVGNIY-HNNXBMFYSA-N	1	0	359.426	1.609	20	30		FDEDRO
Cc1noc2ncc(C(=O)NC3CC[NH+]([C@@H]4CCN(C)C4=O)CC3)cc12	ZINC000329210926	824671594	/nfs/dbraw/zinc/67/15/94/824671594.db2.gz	ZUQWAIPQQBDHSQ-OAHLLOKOSA-N	1	0	357.414	1.531	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCc2ncnn21	ZINC001029481099	824673388	/nfs/dbraw/zinc/67/33/88/824673388.db2.gz	YWIGVAQTUICHQC-NNXHMXCWSA-N	1	0	357.458	1.032	20	30		FDEDRO
CN(C)C(=O)[C@H]1CC[C@@H](C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)O1	ZINC000329228753	824679606	/nfs/dbraw/zinc/67/96/06/824679606.db2.gz	IVZLWJJZROWJNH-WCXIOVBPSA-N	1	0	367.490	1.347	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccccc3N3C(=O)CCC3=O)[C@H]2C1	ZINC000329235718	824686706	/nfs/dbraw/zinc/68/67/06/824686706.db2.gz	IVGNPIWUCRXLFZ-CJNGLKHVSA-N	1	0	356.426	1.912	20	30		FDEDRO
O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCO[C@@]2(CCCOC2)C1	ZINC000329239897	824687572	/nfs/dbraw/zinc/68/75/72/824687572.db2.gz	QQWVRUINWCLHAS-LPHOPBHVSA-N	1	0	367.490	1.283	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C3CCOCC3)C2)CC1	ZINC000329262779	824701812	/nfs/dbraw/zinc/70/18/12/824701812.db2.gz	FDGBSRVKZOETRK-MOPGFXCFSA-N	1	0	362.518	1.427	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2cnn(C)c2C#N)CC1	ZINC000474873118	824706599	/nfs/dbraw/zinc/70/65/99/824706599.db2.gz	PRXCWTJOKAWTEJ-UHFFFAOYSA-N	1	0	366.469	1.359	20	30		FDEDRO
O=C(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)N1CCC2(CC1)CC(=O)C=CO2	ZINC000896609516	824717954	/nfs/dbraw/zinc/71/79/54/824717954.db2.gz	OSUGODCYQLAMPM-JKSUJKDBSA-N	1	0	365.499	1.614	20	30		FDEDRO
CCn1cc(CN2CCCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)cn1	ZINC000329300028	824721796	/nfs/dbraw/zinc/72/17/96/824721796.db2.gz	VJJWUWYYVMWQNT-MOPGFXCFSA-N	1	0	374.533	1.952	20	30		FDEDRO
CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1cncn1C	ZINC000329317317	824731909	/nfs/dbraw/zinc/73/19/09/824731909.db2.gz	SLSXIYPLTRIBGF-RVKKMQEKSA-N	1	0	373.457	1.582	20	30		FDEDRO
Cn1cncc1[C@H]1[C@H](NC(=O)N2CCC[N@H+](C)CC2)CCC(=O)N1C1CC1	ZINC000329320600	824736611	/nfs/dbraw/zinc/73/66/11/824736611.db2.gz	IZIPCGUERAVAMD-CRAIPNDOSA-N	1	0	374.489	1.166	20	30		FDEDRO
Cn1nccc1[C@H]1[C@H](NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC(=O)N1C	ZINC000329351669	824750107	/nfs/dbraw/zinc/75/01/07/824750107.db2.gz	UGUUXUZBMOYIPW-IIDMSEBBSA-N	1	0	374.489	1.024	20	30		FDEDRO
Cc1cc(C)nc(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)n1	ZINC000329447032	824795884	/nfs/dbraw/zinc/79/58/84/824795884.db2.gz	LGFQBKLBRFETNM-SJORKVTESA-N	1	0	358.490	1.756	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)C3=CCCC3)[C@H]2CC)CC1	ZINC000984767366	824805841	/nfs/dbraw/zinc/80/58/41/824805841.db2.gz	PNDCALMPVZGYTC-RBUKOAKNSA-N	1	0	357.498	1.938	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2	ZINC000329475750	824821162	/nfs/dbraw/zinc/82/11/62/824821162.db2.gz	PDCZSYUVKIAUGK-HZPDHXFCSA-N	1	0	360.458	1.712	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCCN(c3ccc(C)nn3)C2)C1	ZINC000329568319	824887991	/nfs/dbraw/zinc/88/79/91/824887991.db2.gz	HZTOVKIOKOQSPQ-SJORKVTESA-N	1	0	360.506	1.989	20	30		FDEDRO
C[C@H](NC(=O)C1CCCC1)C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1	ZINC000329564433	824888197	/nfs/dbraw/zinc/88/81/97/824888197.db2.gz	NWDREANOYLJRSF-HNNXBMFYSA-N	1	0	367.490	1.207	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)C1	ZINC000329588854	824904160	/nfs/dbraw/zinc/90/41/60/824904160.db2.gz	SLTXDCJFYAIQEU-HNNXBMFYSA-N	1	0	357.458	1.996	20	30		FDEDRO
O=C(CN1CC[NH+](CC2CCOCC2)CC1)NC[C@H]1Cc2ccccc2O1	ZINC000329588461	824904411	/nfs/dbraw/zinc/90/44/11/824904411.db2.gz	MZJHIWRCXABJOI-LJQANCHMSA-N	1	0	373.497	1.991	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCNC3=O)C[C@@H]2C1	ZINC001087990470	824933309	/nfs/dbraw/zinc/93/33/09/824933309.db2.gz	GXWFQIXYPXPHIE-IPELMVKDSA-N	1	0	366.465	1.365	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC(F)(F)F)c3)C[C@@H]2C1	ZINC001087994864	824970114	/nfs/dbraw/zinc/97/01/14/824970114.db2.gz	HIWFDRPIRGGTDL-HIFRSBDPSA-N	1	0	354.376	1.863	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC000984813650	824991234	/nfs/dbraw/zinc/99/12/34/824991234.db2.gz	TZYRPAVXQPNFDH-XLAORIBOSA-N	1	0	354.454	1.267	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2csc(COC)n2)C1	ZINC000984823721	825026957	/nfs/dbraw/zinc/02/69/57/825026957.db2.gz	BPXFGOFJRAEFKY-XOUADPBQSA-N	1	0	365.499	1.865	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3c3ccnn3CC)C[C@@H]2C1	ZINC001087999977	825057475	/nfs/dbraw/zinc/05/74/75/825057475.db2.gz	KAUARSSBFCXYAH-SFNKJDCFSA-N	1	0	358.486	1.947	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cccnc3C)CC[C@@H]2C1	ZINC001087998230	825076415	/nfs/dbraw/zinc/07/64/15/825076415.db2.gz	YCLSCUUBOXJLHP-HKBOAZHASA-N	1	0	366.509	1.768	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[C@@H]3N3CCCC3=O)C[C@@H]2C1	ZINC001087998936	825080958	/nfs/dbraw/zinc/08/09/58/825080958.db2.gz	LYBUZOYPLJYIFS-WCIQWLHISA-N	1	0	371.525	1.971	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCNC3=O)CC[C@@H]2C1	ZINC001088016843	825276065	/nfs/dbraw/zinc/27/60/65/825276065.db2.gz	YRBMKNIWECIOHR-SOLBZPMBSA-N	1	0	369.465	1.534	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2c(C)nnn2CC)C1	ZINC000984921644	825449525	/nfs/dbraw/zinc/44/95/25/825449525.db2.gz	RYVNMSKDTHYFKR-OVWQWFNUSA-N	1	0	361.490	1.572	20	30		FDEDRO
CO[C@@H]1C[N@H+](CC[C@@H]2CCCC2(F)F)C[C@H]1NC(=O)CSCC#N	ZINC001211888766	825517509	/nfs/dbraw/zinc/51/75/09/825517509.db2.gz	NVYBMRJLGKRDCL-BFHYXJOUSA-N	1	0	361.458	1.884	20	30		FDEDRO
Cc1noc([C@H]2C[C@@H](O)CN2C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)n1	ZINC000329910297	825543011	/nfs/dbraw/zinc/54/30/11/825543011.db2.gz	NEKOBZDFVXJVHV-STGWMILLSA-N	1	0	365.478	1.766	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2noc(C)n2)C1	ZINC000329926506	825546070	/nfs/dbraw/zinc/54/60/70/825546070.db2.gz	WFHHWFXFAWQCQE-ZNMIVQPWSA-N	1	0	368.457	1.278	20	30		FDEDRO
CC(=O)N1CC[C@H](NC(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1	ZINC000329940686	825556134	/nfs/dbraw/zinc/55/61/34/825556134.db2.gz	BUFIZJAZDSVOFS-JZXOWHBKSA-N	1	0	365.522	1.012	20	30		FDEDRO
CC(C)(O)C[NH+]1CCN(C(=O)NCc2cccc(C(=O)NC3CC3)c2)CC1	ZINC000329963167	825568987	/nfs/dbraw/zinc/56/89/87/825568987.db2.gz	TVSHNEJYESXKRT-UHFFFAOYSA-N	1	0	374.485	1.956	20	30		FDEDRO
CC(=O)N1CC[C@H](NC(=O)NCc2cccc(CN3CCO[C@H](C)C3)c2)C1	ZINC000329981827	825577267	/nfs/dbraw/zinc/57/72/67/825577267.db2.gz	OAEVKBYRCNHUPF-BEFAXECRSA-N	1	0	374.485	1.532	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H](C)c1nnc2n1CCCC2	ZINC000329990969	825584411	/nfs/dbraw/zinc/58/44/11/825584411.db2.gz	WNAUYYVSNBETPX-CABCVRRESA-N	1	0	363.510	1.205	20	30		FDEDRO
C[C@]1(C(=O)N2C[C@@H]3C[N@@H+](CC#Cc4ccccc4)CC[C@@H]3C2)CNC(=O)C1	ZINC001088050319	825598205	/nfs/dbraw/zinc/59/82/05/825598205.db2.gz	BCDIBOLLHVXHDL-XQBPLPMBSA-N	1	0	365.477	1.345	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCCN3CC(F)F)C[C@@H]2C1	ZINC001088053429	825643476	/nfs/dbraw/zinc/64/34/76/825643476.db2.gz	IFIKFVIFDSDKBB-PMPSAXMXSA-N	1	0	357.445	1.309	20	30		FDEDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccccc1COC1CCOCC1	ZINC000330181569	825708861	/nfs/dbraw/zinc/70/88/61/825708861.db2.gz	OEVORZBKNDUPHO-KRWDZBQOSA-N	1	0	361.486	1.933	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@@H]3CCn4ccnc4C3)CC2)CC1	ZINC000330185144	825710791	/nfs/dbraw/zinc/71/07/91/825710791.db2.gz	IYUNPKHYDINKQD-QGZVFWFLSA-N	1	0	374.533	1.602	20	30		FDEDRO
CC(=O)N1CCN(C(=O)N[C@H]2CCn3ccnc3C2)CC12CCCCC2	ZINC000330195382	825724446	/nfs/dbraw/zinc/72/44/46/825724446.db2.gz	PDGVBNVXHXNYCI-INIZCTEOSA-N	1	0	359.474	1.979	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(C)c3-n3cccc3)C[C@@H]2C1	ZINC001088061084	825727602	/nfs/dbraw/zinc/72/76/02/825727602.db2.gz	MEYQRJWMRDIVQP-SJORKVTESA-N	1	0	351.454	1.628	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(C)c3-n3cccc3)C[C@@H]2C1	ZINC001088061202	825728869	/nfs/dbraw/zinc/72/88/69/825728869.db2.gz	SOIVINHIMOSEPC-SJORKVTESA-N	1	0	351.454	1.628	20	30		FDEDRO
CC[C@@H]1CN(C(=O)N[C@H](C)c2nnc3n2CCC3)C[C@@H]1N1CCOCC1	ZINC000330219254	825737941	/nfs/dbraw/zinc/73/79/41/825737941.db2.gz	JZNCCYKCVBGFSG-KFWWJZLASA-N	1	0	362.478	1.242	20	30		FDEDRO
C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3c(C)c(C)n[nH]c3=O)C[C@@H]2C1	ZINC001088061377	825743968	/nfs/dbraw/zinc/74/39/68/825743968.db2.gz	CJLZUYYBRPVXQY-KGLIPLIRSA-N	1	0	350.850	1.945	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCC1)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000526055502	828819932	/nfs/dbraw/zinc/81/99/32/828819932.db2.gz	PRVBGXWDUFZCFD-IXDOHACOSA-N	1	0	362.518	1.759	20	30		FDEDRO
O=C(NCC1([NH+]2CCOCC2)CCCCC1)N[C@@H]1CCn2ccnc2C1	ZINC000330251747	825767693	/nfs/dbraw/zinc/76/76/93/825767693.db2.gz	NRYGQPCFJIXVCJ-MRXNPFEDSA-N	1	0	361.490	1.737	20	30		FDEDRO
Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)NC1CC[NH+](C2CC2)CC1	ZINC000330326310	825917054	/nfs/dbraw/zinc/91/70/54/825917054.db2.gz	JZFJYOJABZLPLQ-WMZOPIPTSA-N	1	0	361.490	1.997	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C)C2)C[C@H]1C(F)(F)F	ZINC001112174992	826035133	/nfs/dbraw/zinc/03/51/33/826035133.db2.gz	FDFLYAUEOPRTQR-BFHYXJOUSA-N	1	0	361.408	1.800	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CCOC3)C[C@@H]2C1	ZINC001088080754	826142906	/nfs/dbraw/zinc/14/29/06/826142906.db2.gz	LWHHEXINCYOPBW-WSTZPKSXSA-N	1	0	357.429	1.967	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C(=O)N2CCC(C)CC2)C[C@H]1C(F)(F)F	ZINC001112175227	826230268	/nfs/dbraw/zinc/23/02/68/826230268.db2.gz	QXKXMRUYCZFMSM-ZIAGYGMSSA-N	1	0	359.392	1.247	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4conc4C)C[C@@H]3C2)C1=O	ZINC001088089922	826326000	/nfs/dbraw/zinc/32/60/00/826326000.db2.gz	OLEFJFPXXVQNJQ-VYDXJSESSA-N	1	0	358.442	1.164	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCCN(C)C4=O)CC[C@@H]3C2)c1	ZINC001088099337	826389868	/nfs/dbraw/zinc/38/98/68/826389868.db2.gz	FNWNZKLTVOOKSH-NZSAHSFTSA-N	1	0	366.465	1.078	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@H]3C2)s1	ZINC001088108504	826425456	/nfs/dbraw/zinc/42/54/56/826425456.db2.gz	DQYJOZGETSZRLZ-KOZAUXTDSA-N	1	0	358.467	1.021	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cc(OC)ccn3)CC[C@@H]2C1	ZINC001088112786	826445421	/nfs/dbraw/zinc/44/54/21/826445421.db2.gz	XMMOLIDZTLTFGI-GJJHYRHESA-N	1	0	371.481	1.962	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4cccnc4C)CC[C@@H]3C2)nn1	ZINC001088132936	826571112	/nfs/dbraw/zinc/57/11/12/826571112.db2.gz	LJHJBDMMKVWPQD-MSOLQXFVSA-N	1	0	366.469	1.762	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@H]4CCC(=O)N4)C[C@@H]3C2)c1	ZINC001088138007	826620888	/nfs/dbraw/zinc/62/08/88/826620888.db2.gz	OYNSUGAZBJGBMY-CEXWTWQISA-N	1	0	366.465	1.507	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@H]2CC)nc1	ZINC000985166635	826659561	/nfs/dbraw/zinc/65/95/61/826659561.db2.gz	LDSBWYVDXXKQAS-JENIJYKNSA-N	1	0	368.481	1.514	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC000985164390	826664573	/nfs/dbraw/zinc/66/45/73/826664573.db2.gz	ORFOYWUBELYUGE-JKSUJKDBSA-N	1	0	355.442	1.091	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cnn4cc(OC)ccc34)C[C@@H]2C1	ZINC001088141904	826670756	/nfs/dbraw/zinc/67/07/56/826670756.db2.gz	JKBVIHOOJHCNMS-CVEARBPZSA-N	1	0	352.438	1.760	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccnc(C)c4)C[C@@H]3C2)C1=O	ZINC001088146178	826730765	/nfs/dbraw/zinc/73/07/65/826730765.db2.gz	PUZXBIJSWRDYQH-CEXWTWQISA-N	1	0	368.481	1.571	20	30		FDEDRO
Cc1c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cnn1CCC#N	ZINC000896987696	826744210	/nfs/dbraw/zinc/74/42/10/826744210.db2.gz	GZGLAOXNLATGHO-QGZVFWFLSA-N	1	0	358.490	1.346	20	30		FDEDRO
[NH2+]=C(NC[C@@H]1COC2(CCCC2)O1)N1CCN(c2ccc(F)cc2)CC1	ZINC000262438617	826792627	/nfs/dbraw/zinc/79/26/27/826792627.db2.gz	UQTSSIALSCEGNQ-QGZVFWFLSA-N	1	0	362.449	1.948	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2CC)cn1	ZINC000985211497	826937361	/nfs/dbraw/zinc/93/73/61/826937361.db2.gz	DYZTUMUIJJYGTN-ZYSHUDEJSA-N	1	0	368.481	1.657	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC[C@H](C)[NH+](C)C)cc1	ZINC000665608679	827119726	/nfs/dbraw/zinc/11/97/26/827119726.db2.gz	HMFFENHEFKZXPM-AWEZNQCLSA-N	1	0	368.503	1.955	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1	ZINC001088183444	827306534	/nfs/dbraw/zinc/30/65/34/827306534.db2.gz	GLZQBQKNJUNLEM-UXHICEINSA-N	1	0	363.465	1.282	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cncn3)C[C@@H]2C1	ZINC001088193205	827395058	/nfs/dbraw/zinc/39/50/58/827395058.db2.gz	PNXBXVVODTYOJF-MSOLQXFVSA-N	1	0	350.426	1.130	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CCC3CCN(C(C)=O)CC3)C[C@@H]2C1	ZINC001088207254	827497107	/nfs/dbraw/zinc/49/71/07/827497107.db2.gz	CRBRXIJSLNFVDU-UXHICEINSA-N	1	0	359.514	1.829	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2C[C@@H]3C[N@H+](C[C@H](C)O)CC[C@@H]3C2)cc1	ZINC001088215098	827517306	/nfs/dbraw/zinc/51/73/06/827517306.db2.gz	QUNNYQJZAZWLDK-UHOSZYNNSA-N	1	0	358.482	1.955	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2C[C@@H]3C[N@H+](C[C@@H](C)O)CC[C@@H]3C2)cc1	ZINC001088215097	827517714	/nfs/dbraw/zinc/51/77/14/827517714.db2.gz	QUNNYQJZAZWLDK-QRQLOZEOSA-N	1	0	358.482	1.955	20	30		FDEDRO
CN1CC[NH+](CCC(C)(C)NC(=O)NCc2nc(C#N)cs2)CC1	ZINC000897282971	827697848	/nfs/dbraw/zinc/69/78/48/827697848.db2.gz	ZLOGVJSMBJTIGR-UHFFFAOYSA-N	1	0	350.492	1.230	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000508483980	827735560	/nfs/dbraw/zinc/73/55/60/827735560.db2.gz	KUAPMIGEKKRBSR-GOSISDBHSA-N	1	0	369.469	1.695	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2CC)c1	ZINC000985432703	827807356	/nfs/dbraw/zinc/80/73/56/827807356.db2.gz	DXEZFUTYPDMDIN-OTWHNJEPSA-N	1	0	368.481	1.657	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1C(F)(F)F	ZINC001112185474	827906164	/nfs/dbraw/zinc/90/61/64/827906164.db2.gz	GNOGGURTECNFRS-MRVWCRGKSA-N	1	0	361.408	1.846	20	30		FDEDRO
O=C(NCC(F)(F)F)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCF)C1	ZINC001112185529	827906695	/nfs/dbraw/zinc/90/66/95/827906695.db2.gz	IJJLEFAMRSHAED-HTQZYQBOSA-N	1	0	367.265	1.003	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2C#N)C1	ZINC001029759683	828010350	/nfs/dbraw/zinc/01/03/50/828010350.db2.gz	UUYNTSRQYVMCFF-FCEWJHQRSA-N	1	0	357.454	1.642	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)[C@H]2CC)cn1	ZINC000985500018	828053273	/nfs/dbraw/zinc/05/32/73/828053273.db2.gz	TWVSVNGIGSJOEI-AYOQOUSVSA-N	1	0	368.481	1.514	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C	ZINC000523240960	828154572	/nfs/dbraw/zinc/15/45/72/828154572.db2.gz	QXRKQBOWXALLEL-DOTOQJQBSA-N	1	0	372.469	1.384	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1	ZINC000444753130	828188715	/nfs/dbraw/zinc/18/87/15/828188715.db2.gz	YDHYTMGKZPZMIZ-ZCNNSNEGSA-N	1	0	371.481	1.596	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+](C)C2CCN(C(=O)[C@@H]3CCO[C@H]3C=C)CC2)C1=O	ZINC000985660522	828840013	/nfs/dbraw/zinc/84/00/13/828840013.db2.gz	JBPJAFUNISBNLH-KURKYZTESA-N	1	0	361.486	1.287	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@@H+](C)CCc2cnn(CC)c2)CC1	ZINC000985661224	828851726	/nfs/dbraw/zinc/85/17/26/828851726.db2.gz	OAWOLKGQPQWAJD-MOPGFXCFSA-N	1	0	360.502	1.959	20	30		FDEDRO
C[N@@H+]1CC[C@](O)(CNC(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1	ZINC000527352693	829041044	/nfs/dbraw/zinc/04/10/44/829041044.db2.gz	BKWVJOISEHIMGE-RJYAGPCLSA-N	1	0	373.457	1.009	20	30		FDEDRO
C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000448324671	829090457	/nfs/dbraw/zinc/09/04/57/829090457.db2.gz	IBMCNONVFLDTOE-KRWDZBQOSA-N	1	0	354.454	1.684	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C(N)=O)c1ccc(F)cc1	ZINC001168101110	829226110	/nfs/dbraw/zinc/22/61/10/829226110.db2.gz	MRYBLGCTUDYCAW-BBWFWOEESA-N	1	0	363.433	1.429	20	30		FDEDRO
Cc1[nH]c(C#N)cc1C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000448879800	829283823	/nfs/dbraw/zinc/28/38/23/829283823.db2.gz	ANHFQQSUYNOOSD-UHFFFAOYSA-N	1	0	353.426	1.416	20	30		FDEDRO
C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1	ZINC001088381364	829305354	/nfs/dbraw/zinc/30/53/54/829305354.db2.gz	CMDJMYLSVFUHRV-YESZJQIVSA-N	1	0	351.491	1.559	20	30		FDEDRO
CCCNC(=O)C1CC[NH+](CC#CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000528339432	829358448	/nfs/dbraw/zinc/35/84/48/829358448.db2.gz	JEUASPSLMWYKDV-UHFFFAOYSA-N	1	0	367.449	1.524	20	30		FDEDRO
CCCC(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2C#N)C1	ZINC000528369656	829374028	/nfs/dbraw/zinc/37/40/28/829374028.db2.gz	WWBXOANDILQABO-WMZOPIPTSA-N	1	0	359.470	1.926	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]Cc2cnnn2CC)C1	ZINC001088385210	829381257	/nfs/dbraw/zinc/38/12/57/829381257.db2.gz	BLXNCOCYSMVPPZ-NXHRZFHOSA-N	1	0	361.490	1.750	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C[C@@H](O)COc1ccccc1C#N	ZINC000528481179	829420150	/nfs/dbraw/zinc/42/01/50/829420150.db2.gz	QSVNPYRDZKXOOF-VQIMIIECSA-N	1	0	359.470	1.483	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(C[C@@H](O)COc2ccccc2C#N)CC1	ZINC000528483355	829429779	/nfs/dbraw/zinc/42/97/79/829429779.db2.gz	CTKQFUZNZROMOW-QGZVFWFLSA-N	1	0	368.437	1.524	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC3(CCOCC3)CC[C@@H]2CO)cc1	ZINC000528637031	829492126	/nfs/dbraw/zinc/49/21/26/829492126.db2.gz	SSIVPAVEXHRDTB-MSOLQXFVSA-N	1	0	360.454	1.551	20	30		FDEDRO
CC(=O)NCC(=O)N1CCC[N@H+](Cc2ccccc2C(C)(C)C#N)CC1	ZINC000528734775	829539981	/nfs/dbraw/zinc/53/99/81/829539981.db2.gz	OVKPTMMCQUJSOY-UHFFFAOYSA-N	1	0	356.470	1.658	20	30		FDEDRO
CN1CCN(C(=O)CC[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)CC1	ZINC000528778761	829558971	/nfs/dbraw/zinc/55/89/71/829558971.db2.gz	MTTOSCLKAJFHDU-UHFFFAOYSA-N	1	0	356.470	1.318	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1	ZINC000529313961	829822237	/nfs/dbraw/zinc/82/22/37/829822237.db2.gz	STRUUGHOECDBQQ-IBGZPJMESA-N	1	0	372.469	1.737	20	30		FDEDRO
N#Cc1cc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)nc2ccc([N+](=O)[O-])cc12	ZINC000450786682	830114806	/nfs/dbraw/zinc/11/48/06/830114806.db2.gz	DQBOXXMHJVXQJU-GASCZTMLSA-N	1	0	353.382	2.290	20	30		FDEDRO
C[C@@H]1C[C@@H](O)C[N@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000452074122	830517221	/nfs/dbraw/zinc/51/72/21/830517221.db2.gz	ZGMWOTHKWHZTSF-LZQZEXGQSA-N	1	0	374.460	1.237	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)CC1	ZINC000986085444	830623421	/nfs/dbraw/zinc/62/34/21/830623421.db2.gz	RTUMHTOKDCEZOR-UXHICEINSA-N	1	0	367.493	1.052	20	30		FDEDRO
C=CCn1c(-c2nnn(C)c2C)nnc1N1CC[N@H+](CCOC)[C@@H](CC)C1	ZINC000453416664	830925747	/nfs/dbraw/zinc/92/57/47/830925747.db2.gz	FFKCRZHTLPHTAP-HNNXBMFYSA-N	1	0	374.493	1.115	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1C#N	ZINC000453614260	830969228	/nfs/dbraw/zinc/96/92/28/830969228.db2.gz	PJHZJVDCQCFRJC-MELADBBJSA-N	1	0	357.458	1.683	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]2C1	ZINC000986155803	831207477	/nfs/dbraw/zinc/20/74/77/831207477.db2.gz	IFWHOGZGHZNPFR-SQNIBIBYSA-N	1	0	359.514	1.847	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1	ZINC001029921624	831237567	/nfs/dbraw/zinc/23/75/67/831237567.db2.gz	MPAFJHFTWNAZPH-GBESFXJTSA-N	1	0	371.481	1.699	20	30		FDEDRO
C=CC[N@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1	ZINC001029921623	831237710	/nfs/dbraw/zinc/23/77/10/831237710.db2.gz	MPAFJHFTWNAZPH-CEXWTWQISA-N	1	0	371.481	1.699	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]21	ZINC000453918307	831314970	/nfs/dbraw/zinc/31/49/70/831314970.db2.gz	NUARGPNLLQWCSO-RISCZKNCSA-N	1	0	366.343	1.678	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CN(C(=O)CCS(=O)(=O)N(C)C)C[C@]2(C)C1	ZINC001101472092	831327235	/nfs/dbraw/zinc/32/72/35/831327235.db2.gz	GBZZQEGQDHLOQG-WBVHZDCISA-N	1	0	357.520	1.014	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)c4cc[nH]c4)C[C@@H]3C2)CC1	ZINC000986242390	831349002	/nfs/dbraw/zinc/34/90/02/831349002.db2.gz	IXIAWLSSSWOLMA-MOPGFXCFSA-N	1	0	368.481	1.280	20	30		FDEDRO
CO[C@@H]1COC[C@H]1n1cc(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)nn1	ZINC000262348697	837551835	/nfs/dbraw/zinc/55/18/35/837551835.db2.gz	YLNMSHWMBLZMKV-IAGOWNOFSA-N	1	0	356.430	1.280	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](CCNC(=O)C[N@@H+](C)C(C)C)C1	ZINC001059725080	831842808	/nfs/dbraw/zinc/84/28/08/831842808.db2.gz	GZULLCTULPXYNO-AOIWGVFYSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[C@H]1C(=O)N(C)C)C[C@H](C)O2	ZINC001098635500	831848889	/nfs/dbraw/zinc/84/88/89/831848889.db2.gz	LGUYZVOLUYOCGO-BBWFWOEESA-N	1	0	363.502	1.369	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2	ZINC000475744133	831963117	/nfs/dbraw/zinc/96/31/17/831963117.db2.gz	APYOXUQUVMSZIC-OAQYLSRUSA-N	1	0	370.497	1.986	20	30		FDEDRO
C#Cc1ccc(C(=O)NCC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC001059730338	831980194	/nfs/dbraw/zinc/98/01/94/831980194.db2.gz	FCQKTYAPAIRRQA-JTDSTZFVSA-N	1	0	368.481	1.372	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@@H]2C1	ZINC000986594592	832007517	/nfs/dbraw/zinc/00/75/17/832007517.db2.gz	SZEVCOKAGRIQPP-ZNMIVQPWSA-N	1	0	355.442	1.228	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)C[C@H]3C2)C1	ZINC000986634106	832123959	/nfs/dbraw/zinc/12/39/59/832123959.db2.gz	RZHRQHPLESQVTG-CEXWTWQISA-N	1	0	371.525	1.991	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)[C@@H]2CCCNC2=O)CC1	ZINC001030002344	832365508	/nfs/dbraw/zinc/36/55/08/832365508.db2.gz	JYNYRWADGFVAKW-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C[C@H](O)c1ccc(F)cc1	ZINC001088522690	832403791	/nfs/dbraw/zinc/40/37/91/832403791.db2.gz	BFAOXYOLGPHVTH-PUECVXPYSA-N	1	0	356.401	1.952	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)NC(=O)C2CCC2)C[C@H]1C(F)(F)F	ZINC001112219969	832483517	/nfs/dbraw/zinc/48/35/17/832483517.db2.gz	HCGMEKDJCIDLNG-MRVWCRGKSA-N	1	0	361.408	1.846	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1	ZINC001059789858	832774295	/nfs/dbraw/zinc/77/42/95/832774295.db2.gz	BPMLHULDLDIFOD-KSZLIROESA-N	1	0	365.518	1.663	20	30		FDEDRO
C[C@@H](C(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]1C)[NH+]1CCCCCC1	ZINC000987620852	833498865	/nfs/dbraw/zinc/49/88/65/833498865.db2.gz	ONLWLEPVAUSMKN-VYDXJSESSA-N	1	0	371.485	1.870	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](CN(C)C(=O)[C@@H]3C[C@H]3CC)C2)CC1	ZINC000988067772	833991167	/nfs/dbraw/zinc/99/11/67/833991167.db2.gz	TXPZANDARVFRAY-ZHALLVOQSA-N	1	0	359.514	1.685	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C	ZINC000988303549	834326260	/nfs/dbraw/zinc/32/62/60/834326260.db2.gz	JCTXXKCGAMGXBE-BGTYHANMSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=C(CC)CNC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1	ZINC000454038920	834501278	/nfs/dbraw/zinc/50/12/78/834501278.db2.gz	WCYFTUMSIKIPQR-UHFFFAOYSA-N	1	0	374.485	1.334	20	30		FDEDRO
N#Cc1ccc(-c2noc([C@]34C[NH2+]C[C@@H]3CN(c3ccccc3)C4)n2)nc1	ZINC001211920639	834892015	/nfs/dbraw/zinc/89/20/15/834892015.db2.gz	YELWTGIIEYVBLW-QRWLVFNGSA-N	1	0	358.405	1.981	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000897486333	835233741	/nfs/dbraw/zinc/23/37/41/835233741.db2.gz	NTFLFLFRWWRAJZ-LSDHHAIUSA-N	1	0	357.462	1.053	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000454309787	835367503	/nfs/dbraw/zinc/36/75/03/835367503.db2.gz	BIYFPLDQRVUWJL-UXHICEINSA-N	1	0	372.513	1.837	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000454436748	835480436	/nfs/dbraw/zinc/48/04/36/835480436.db2.gz	GNKYNDXPZQPDNA-MSOLQXFVSA-N	1	0	374.485	1.511	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CNc2ccccc2O[C@H](C)C#N)C1	ZINC000245693485	835548649	/nfs/dbraw/zinc/54/86/49/835548649.db2.gz	KQLGMBUZTRFFSU-IAGOWNOFSA-N	1	0	374.485	1.862	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCC3(C)C)[C@@H]2C)CC1	ZINC000988507474	835662235	/nfs/dbraw/zinc/66/22/35/835662235.db2.gz	UEVYYHVSVLLLMO-NJAFHUGGSA-N	1	0	359.514	1.873	20	30		FDEDRO
COc1cccc([C@@H]2[C@H](NC(=O)N3CCO[C@@H](C#N)C3)CC[N@@H+]2C2CC2)c1	ZINC000245898653	835722093	/nfs/dbraw/zinc/72/20/93/835722093.db2.gz	DHWJOODBWKUCDP-IPMKNSEASA-N	1	0	370.453	1.907	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCCCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105668836	844097209	/nfs/dbraw/zinc/09/72/09/844097209.db2.gz	ZYKUADQWVFIXAA-LFGUQSLTSA-N	1	0	366.502	1.029	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1F	ZINC000455538667	836111879	/nfs/dbraw/zinc/11/18/79/836111879.db2.gz	KLIIJHIVCBNRTF-UHFFFAOYSA-N	1	0	360.433	1.951	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)CCCC[NH+](C)C)C[C@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001105669166	844148025	/nfs/dbraw/zinc/14/80/25/844148025.db2.gz	PQMVUPPXDBOZMT-FPAYPSAMSA-N	1	0	350.507	1.208	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C)C[C@H]1OC	ZINC001212024440	836307769	/nfs/dbraw/zinc/30/77/69/836307769.db2.gz	UCQVYWZIRFMJDR-ZHALLVOQSA-N	1	0	362.470	1.516	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn4cc[nH]c34)[C@H]2C(C)C)C[C@H]1O	ZINC001105669252	844165175	/nfs/dbraw/zinc/16/51/75/844165175.db2.gz	QKXCNQANIYHSNO-PDOICOKGSA-N	1	0	369.469	1.265	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000989024804	838142755	/nfs/dbraw/zinc/14/27/55/838142755.db2.gz	QBUBPRYWRZJSFB-HIFRSBDPSA-N	1	0	355.442	1.234	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)n1	ZINC000282067728	838332679	/nfs/dbraw/zinc/33/26/79/838332679.db2.gz	CHBVSMHAIWEBHX-UHFFFAOYSA-N	1	0	360.506	1.074	20	30		FDEDRO
CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000429770367	838525966	/nfs/dbraw/zinc/52/59/66/838525966.db2.gz	UHOHHDLQCUJVKP-HOTGVXAUSA-N	1	0	366.425	1.187	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C)nc1	ZINC000989163935	838546947	/nfs/dbraw/zinc/54/69/47/838546947.db2.gz	MOKXUOHANBGQEE-INMHGKMJSA-N	1	0	354.454	1.124	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCOc2ccccc2)[C@@H]1C	ZINC001088631793	838610938	/nfs/dbraw/zinc/61/09/38/838610938.db2.gz	GTHQNHPDJNNTRE-HOJAQTOUSA-N	1	0	355.482	1.742	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2c(C)onc2CC)[C@@H]1C	ZINC001088631085	838621594	/nfs/dbraw/zinc/62/15/94/838621594.db2.gz	QAQVEJRAPYHFCU-CCKFTAQKSA-N	1	0	358.486	1.722	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@]34CC[N@H+](C3)CCC4)[C@H]2C)cn1	ZINC000989201948	838664274	/nfs/dbraw/zinc/66/42/74/838664274.db2.gz	KNNJKFNBRRFGTQ-YWMUFLPLSA-N	1	0	366.465	1.268	20	30		FDEDRO
CCN(C(=O)C(=O)N1CCC(C#N)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000459903465	839095359	/nfs/dbraw/zinc/09/53/59/839095359.db2.gz	KEDBTUHOIAIGBE-LJQANCHMSA-N	1	0	368.481	1.872	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCN(C[C@H](C)O)[C@H](CC)C1	ZINC000459992943	839186034	/nfs/dbraw/zinc/18/60/34/839186034.db2.gz	JKXHHLTUYKZBSQ-PKOBYXMFSA-N	1	0	373.497	1.505	20	30		FDEDRO
C#CC[N@H+](C)CCCN1C(=O)N[C@@H](c2ccccc2Br)C1=O	ZINC000925312126	839359053	/nfs/dbraw/zinc/35/90/53/839359053.db2.gz	GMBHUIPHRBFJBF-AWEZNQCLSA-N	1	0	364.243	1.997	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001059968661	839534713	/nfs/dbraw/zinc/53/47/13/839534713.db2.gz	MMQZQJSSCXELDW-SOLBZPMBSA-N	1	0	355.486	1.935	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C3CCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105585412	839994654	/nfs/dbraw/zinc/99/46/54/839994654.db2.gz	OZFCTYYZOVOPGO-QQTQMKHKSA-N	1	0	363.502	1.055	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)CCN(C)c2nc(Cl)c(C#N)s2)CC[N@@H+]1C	ZINC001105580976	840002462	/nfs/dbraw/zinc/00/24/62/840002462.db2.gz	YXMRKWSGQXTSOC-GHMZBOCLSA-N	1	0	355.895	1.903	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3=COCCO3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105590193	840123624	/nfs/dbraw/zinc/12/36/24/840123624.db2.gz	ISMVYRPAYACXED-CIWUYKSXSA-N	1	0	364.486	1.807	20	30		FDEDRO
C#CCN(C(=O)NCC[NH2+]C1CCCCCC1)[C@@H]1CCS(=O)(=O)C1	ZINC000841963462	840243218	/nfs/dbraw/zinc/24/32/18/840243218.db2.gz	SSKJNUAEXDQSLL-MRXNPFEDSA-N	1	0	355.504	1.131	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(C)c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105593856	840297174	/nfs/dbraw/zinc/29/71/74/840297174.db2.gz	HHOSAIXHDMQETJ-FTEYMNFISA-N	1	0	358.486	1.332	20	30		FDEDRO
COCCO[C@]12CCC[C@@]1([NH2+]Cc1cnc3ccc(C#N)cn13)CCO2	ZINC000898001730	840648517	/nfs/dbraw/zinc/64/85/17/840648517.db2.gz	SVGSFZXMCMACQO-RTBURBONSA-N	1	0	356.426	1.998	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1	ZINC000898045107	840685462	/nfs/dbraw/zinc/68/54/62/840685462.db2.gz	GFCRULRAZGUPML-RYRKJORJSA-N	1	0	372.469	1.216	20	30		FDEDRO
CCOC(=O)N1C[C@@H](CO)[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1	ZINC000898353404	840988309	/nfs/dbraw/zinc/98/83/09/840988309.db2.gz	GVZHTGXTUZGQLQ-LPHOPBHVSA-N	1	0	372.469	1.566	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105605014	841186585	/nfs/dbraw/zinc/18/65/85/841186585.db2.gz	ZTSVVWXDURHUQP-LFGUQSLTSA-N	1	0	368.518	1.582	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CNC(=O)CCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105606988	841210467	/nfs/dbraw/zinc/21/04/67/841210467.db2.gz	JRUFLUORGHWQGI-OHDICMOHSA-N	1	0	351.491	1.055	20	30		FDEDRO
C=CCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnn(C)c3)C2)[C@H]1C(C)C	ZINC001105607263	841224501	/nfs/dbraw/zinc/22/45/01/841224501.db2.gz	ONWWUOGLKHRSOU-HNBVOPMISA-N	1	0	360.502	1.852	20	30		FDEDRO
C=CCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCc3csnn3)C2)[C@@H]1C(C)C	ZINC001105607446	841226209	/nfs/dbraw/zinc/22/62/09/841226209.db2.gz	RQSMEJWIYDRDDN-XYVMCAHJSA-N	1	0	364.515	1.970	20	30		FDEDRO
C=CCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccn(C)n3)C2)[C@@H]1C(C)C	ZINC001105607672	841232491	/nfs/dbraw/zinc/23/24/91/841232491.db2.gz	VNKRTPCAVVICHY-IZBJGVDFSA-N	1	0	360.502	1.852	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(CC)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105607680	841232999	/nfs/dbraw/zinc/23/29/99/841232999.db2.gz	VSFNWGXWXCSSTL-MLYOOKFZSA-N	1	0	358.486	1.506	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C)on1)C2	ZINC001112247223	841912230	/nfs/dbraw/zinc/91/22/30/841912230.db2.gz	CBMCFKHGXOIDSI-VCBZYWHSSA-N	1	0	360.458	1.506	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nnn(C)c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105612255	841998778	/nfs/dbraw/zinc/99/87/78/841998778.db2.gz	YWRABCRHKADGHM-LFEHRJTNSA-N	1	0	361.490	1.279	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCCCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105612361	842024349	/nfs/dbraw/zinc/02/43/49/842024349.db2.gz	ZRKHCSOJRWJINP-JYBIWHBTSA-N	1	0	350.503	1.793	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)ccn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105618967	842235215	/nfs/dbraw/zinc/23/52/15/842235215.db2.gz	CMCDIPDALWDLFG-VGUOSERISA-N	1	0	357.498	1.937	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(=O)NCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105620180	842242134	/nfs/dbraw/zinc/24/21/34/842242134.db2.gz	XKQMCVSIAKPUGU-VVWQDTPRSA-N	1	0	351.491	1.055	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COC(C)(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105622503	842247434	/nfs/dbraw/zinc/24/74/34/842247434.db2.gz	BSFKXMWBZNESGK-HBXLWWENSA-N	1	0	350.503	1.791	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105622600	842248081	/nfs/dbraw/zinc/24/80/81/842248081.db2.gz	DJMQBSWCZJMJQQ-SOAMZJECSA-N	1	0	354.454	1.489	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(CC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105623676	842252566	/nfs/dbraw/zinc/25/25/66/842252566.db2.gz	SDTFOUNWCFEIRR-NWGLXNPWSA-N	1	0	361.490	1.454	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCOCC)C2)[C@H]1C(C)C	ZINC001105631409	842263753	/nfs/dbraw/zinc/26/37/53/842263753.db2.gz	BQZMMNIQDIUCTA-HNBVOPMISA-N	1	0	366.502	1.029	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc4n3CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001105636860	842268558	/nfs/dbraw/zinc/26/85/58/842268558.db2.gz	FLJOQXBHYLQZQM-STQYRHOTSA-N	1	0	370.497	1.432	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3c[nH]cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637238	842271465	/nfs/dbraw/zinc/27/14/65/842271465.db2.gz	LWEAXSPLDDNMIH-HNBVOPMISA-N	1	0	358.486	1.332	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3n[nH]c4c3CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637805	842273501	/nfs/dbraw/zinc/27/35/01/842273501.db2.gz	VXTFJAHMFOIIHA-ZJSJBZJDSA-N	1	0	370.497	1.501	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH]nc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637788	842273784	/nfs/dbraw/zinc/27/37/84/842273784.db2.gz	VRSCZZPSJPBUAW-SOAMZJECSA-N	1	0	358.486	1.575	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc4n(n3)CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001105632258	842279738	/nfs/dbraw/zinc/27/97/38/842279738.db2.gz	JZVZNNBUSQKXLR-BNDYYXHWSA-N	1	0	370.497	1.432	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn4c3CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001105633593	842282472	/nfs/dbraw/zinc/28/24/72/842282472.db2.gz	VRTUADOAEQTGGP-RBAQFSTRSA-N	1	0	370.497	1.432	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(OC)nc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105641667	842297035	/nfs/dbraw/zinc/29/70/35/842297035.db2.gz	DCXXRVGDXNZHOY-REHHDOPLSA-N	1	0	371.481	1.693	20	30		FDEDRO
CCOC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1	ZINC000477026161	842320997	/nfs/dbraw/zinc/32/09/97/842320997.db2.gz	GFUZFIKDEZXRIE-ZBFHGGJFSA-N	1	0	355.394	1.465	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3ccc(C)cc3)[C@H]2C)C1=O	ZINC001088715579	842393419	/nfs/dbraw/zinc/39/34/19/842393419.db2.gz	IDNLRSRDAJPBFV-NEWSRXKRSA-N	1	0	355.482	1.903	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCC(F)F)[C@@H]2C(C)C)C[C@H]1O	ZINC001105645776	842395913	/nfs/dbraw/zinc/39/59/13/842395913.db2.gz	CSUFGWASXCYOGJ-DTTOXWODSA-N	1	0	358.429	1.258	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@@H]1C(C)C	ZINC001105646643	842409216	/nfs/dbraw/zinc/40/92/16/842409216.db2.gz	KTKQFLHEAXKEQF-QCFAMHMHSA-N	1	0	364.530	1.919	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@@H]1C(C)C	ZINC001105655809	842479258	/nfs/dbraw/zinc/47/92/58/842479258.db2.gz	LEFOWZRQPONTPY-PDOICOKGSA-N	1	0	352.519	1.937	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C)[nH]c3=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105656875	842490545	/nfs/dbraw/zinc/49/05/45/842490545.db2.gz	USNOGEFSNXKYQI-NEYJZJCJSA-N	1	0	371.481	1.699	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CCCO)C3)[C@@H]2C(C)C)C1	ZINC001105656290	842492435	/nfs/dbraw/zinc/49/24/35/842492435.db2.gz	OPQNROMNGRHXPH-PDOICOKGSA-N	1	0	350.503	1.691	20	30		FDEDRO
C=CCCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)N(C)C)C2)[C@@H]1C(C)C	ZINC001105658843	842499508	/nfs/dbraw/zinc/49/95/08/842499508.db2.gz	KDBQVAWTFKWGMK-YKCBXCCJSA-N	1	0	365.518	1.397	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@H]1C(C)C	ZINC001105659805	842505336	/nfs/dbraw/zinc/50/53/36/842505336.db2.gz	QOEYEBRAIQJTCH-OHDICMOHSA-N	1	0	351.491	1.055	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccnc3OC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105660452	842535731	/nfs/dbraw/zinc/53/57/31/842535731.db2.gz	VGKIWFTXMKVYOF-NEYJZJCJSA-N	1	0	371.481	1.693	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C3)[C@H]2C(C)C)C1	ZINC001105660627	842566853	/nfs/dbraw/zinc/56/68/53/842566853.db2.gz	XHOFOHCMMIYNPP-YVTWGWGSSA-N	1	0	363.502	1.055	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC000990514379	842634415	/nfs/dbraw/zinc/63/44/15/842634415.db2.gz	XXGQIMLDGDIOLI-HYVNUMGLSA-N	1	0	371.485	1.680	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccnc3n[nH]nc32)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088732876	842652978	/nfs/dbraw/zinc/65/29/78/842652978.db2.gz	UOPKMKOCDZCMDO-WBMJQRKESA-N	1	0	361.409	1.617	20	30		FDEDRO
COC(=O)C1CC[NH+](CCCNC(=O)CNc2cccc(C#N)c2)CC1	ZINC000477693587	842732709	/nfs/dbraw/zinc/73/27/09/842732709.db2.gz	PEFYRVREOFMYQF-UHFFFAOYSA-N	1	0	358.442	1.361	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)n[nH]c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105663473	842813610	/nfs/dbraw/zinc/81/36/10/842813610.db2.gz	UAINPLYYNLGNDO-CIWUYKSXSA-N	1	0	358.486	1.630	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(CC=C)nn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105664243	842891040	/nfs/dbraw/zinc/89/10/40/842891040.db2.gz	XHYKQYBSUNBKJB-PHXBYCTMSA-N	1	0	371.485	1.067	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCCCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105665612	843005913	/nfs/dbraw/zinc/00/59/13/843005913.db2.gz	APJRPQWNDPKZDW-HNBVOPMISA-N	1	0	368.518	1.582	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3nnc(-c4ccco4)n3)[C@@H]2C1	ZINC001075978214	843180012	/nfs/dbraw/zinc/18/00/12/843180012.db2.gz	BOQXRRUNUUFXPS-LSDHHAIUSA-N	1	0	356.430	1.432	20	30		FDEDRO
CCCC[N@H+](C)CCNC(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C	ZINC000462092308	843315081	/nfs/dbraw/zinc/31/50/81/843315081.db2.gz	LSKLZQKJHXIBKO-UHFFFAOYSA-N	1	0	355.446	2.301	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)CCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667097	843491277	/nfs/dbraw/zinc/49/12/77/843491277.db2.gz	OAKKNXAJCIHCTO-VIPLHTEESA-N	1	0	350.503	1.648	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3cncc(C)c3)[C@H]2C)C1=O	ZINC001088774588	843705977	/nfs/dbraw/zinc/70/59/77/843705977.db2.gz	XFAIXMMIZYNYKT-BPQIPLTHSA-N	1	0	356.470	1.298	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC(N2C[C@@H]([NH2+]C3CCC(C#N)CC3)CC2=O)C1	ZINC000898530255	844825616	/nfs/dbraw/zinc/82/56/16/844825616.db2.gz	ZXNHSAXMGAGABC-NRXISQOPSA-N	1	0	362.474	1.879	20	30		FDEDRO
N#Cc1ccc(-c2cccc(CNC(=O)C(=O)NC[C@H]([NH3+])C3CC3)c2)s1	ZINC000842162668	845144680	/nfs/dbraw/zinc/14/46/80/845144680.db2.gz	ZVIQZLRXYDOTCZ-INIZCTEOSA-N	1	0	368.462	1.756	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)CCC[NH+]2CCCC2)C[C@@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001105674946	845614343	/nfs/dbraw/zinc/61/43/43/845614343.db2.gz	JVVVNZQOIGORQU-HNBVOPMISA-N	1	0	362.518	1.352	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCCOCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105675430	845731252	/nfs/dbraw/zinc/73/12/52/845731252.db2.gz	OKQNKOMZIAWHCV-PSBWJHGTSA-N	1	0	354.491	1.192	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCCOCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105676562	845949942	/nfs/dbraw/zinc/94/99/42/845949942.db2.gz	XICKPRHDHDGOMM-IZBJGVDFSA-N	1	0	366.502	1.029	20	30		FDEDRO
CCO[C@H](CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=N)C[NH+](C)C	ZINC000899237505	845982961	/nfs/dbraw/zinc/98/29/61/845982961.db2.gz	ZZIRFOQLHZLLOG-AWEZNQCLSA-N	1	0	371.485	1.613	20	30		FDEDRO
C=CCN1CC[C@@H](N2CC[C@H](NC(=O)c3cc[nH]c3C3CC3)[C@H]2C)C1=O	ZINC001088822596	846227442	/nfs/dbraw/zinc/22/74/42/846227442.db2.gz	ZPPMHGGVTKBBAT-XOKHGSTOSA-N	1	0	356.470	1.872	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CN(Cc2cccc(OCC)n2)C[C@@H]1O	ZINC001083525816	846371136	/nfs/dbraw/zinc/37/11/36/846371136.db2.gz	NMKUUMAMPHUTLR-AEFFLSMTSA-N	1	0	370.453	1.443	20	30		FDEDRO
C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000899809646	846724882	/nfs/dbraw/zinc/72/48/82/846724882.db2.gz	BFKWFJHISFAURM-HNNXBMFYSA-N	1	0	363.421	1.420	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1	ZINC000899967365	846955671	/nfs/dbraw/zinc/95/56/71/846955671.db2.gz	HVPCGUCZRFOQIN-UHFFFAOYSA-N	1	0	365.499	1.169	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3CN(CC#Cc4ccccc4)C[C@H]32)C1	ZINC001076242369	847664693	/nfs/dbraw/zinc/66/46/93/847664693.db2.gz	BHENPRVURRZDSX-SESVDKBCSA-N	1	0	351.494	1.913	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(C)[nH]c4=O)[C@@H]3C2)C1=O	ZINC001076291761	847755468	/nfs/dbraw/zinc/75/54/68/847755468.db2.gz	JRSXAZBRVTVNND-BHYGNILZSA-N	1	0	370.453	1.029	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C5CC5)no4)[C@@H]3C2)C1=O	ZINC001076309141	847826291	/nfs/dbraw/zinc/82/62/91/847826291.db2.gz	AIXSNROHFJAENE-BHYGNILZSA-N	1	0	370.453	1.485	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(CO)cc4)C[C@H]32)nn1	ZINC001076336018	847881239	/nfs/dbraw/zinc/88/12/39/847881239.db2.gz	HAKFPYSFDDBZNO-PKOBYXMFSA-N	1	0	367.453	1.303	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(CC#Cc4ccccc4)C[C@H]32)C1	ZINC001076457429	848180068	/nfs/dbraw/zinc/18/00/68/848180068.db2.gz	CTOJLGACIPOQQN-QHAWAJNXSA-N	1	0	351.494	1.913	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CCc4ccns4)C[C@H]32)cn1	ZINC001076477008	848242267	/nfs/dbraw/zinc/24/22/67/848242267.db2.gz	LTJBHLKYBNJDNN-MAUKXSAKSA-N	1	0	352.463	1.908	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)COc4ccccc4)[C@@H]3C2)C1=O	ZINC001076494511	848277161	/nfs/dbraw/zinc/27/71/61/848277161.db2.gz	DAMVTYTXHDBKJL-YTQUADARSA-N	1	0	369.465	1.385	20	30		FDEDRO
CCN1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)C1	ZINC001076594965	848521497	/nfs/dbraw/zinc/52/14/97/848521497.db2.gz	ZDGFQAJWWZMIBW-ZCNNSNEGSA-N	1	0	368.481	1.312	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCc4ccc(C)o4)[C@@H]3C2)C1=O	ZINC001076604466	848553308	/nfs/dbraw/zinc/55/33/08/848553308.db2.gz	HFJDUAOBDYXUMJ-YTQUADARSA-N	1	0	371.481	1.840	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(Cc4nc(C)c(C)o4)C[C@H]32)CC1	ZINC001076604925	848554891	/nfs/dbraw/zinc/55/48/91/848554891.db2.gz	YNGQHPMZIWBDLM-RBUKOAKNSA-N	1	0	370.497	1.669	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1	ZINC001076706085	848811770	/nfs/dbraw/zinc/81/17/70/848811770.db2.gz	PPBPSEVCYAMOMU-ULQDDVLXSA-N	1	0	365.518	1.711	20	30		FDEDRO
C[C@H](c1ccc2c(c1)CCC2)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1	ZINC001076855858	849213835	/nfs/dbraw/zinc/21/38/35/849213835.db2.gz	QDZZXKSXXPQZPU-SMHULIPUSA-N	1	0	364.449	1.911	20	30		FDEDRO
Cc1cc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)c(C)c1	ZINC001076890426	849287744	/nfs/dbraw/zinc/28/77/44/849287744.db2.gz	ZCBJYOAPSKCAIS-RTBURBONSA-N	1	0	352.438	1.787	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N1CCN(c2cc[nH+]cc2OC)CC1	ZINC000483208474	849381015	/nfs/dbraw/zinc/38/10/15/849381015.db2.gz	IBEORWXKTVLZMO-IBGZPJMESA-N	1	0	366.421	1.998	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCC(=O)NC2=O)C1	ZINC001112537799	851102842	/nfs/dbraw/zinc/10/28/42/851102842.db2.gz	YYVKTSHBCWTIPY-MDOVXXIYSA-N	1	0	361.486	1.612	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1	ZINC000668390646	851152393	/nfs/dbraw/zinc/15/23/93/851152393.db2.gz	UAYQIUOHLGNFEG-SJORKVTESA-N	1	0	351.491	1.274	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1	ZINC000668390643	851152687	/nfs/dbraw/zinc/15/26/87/851152687.db2.gz	UAYQIUOHLGNFEG-DLBZAZTESA-N	1	0	351.491	1.274	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+]C[C@@H](O)CC3(O)CCCCC3)CC2)nc1	ZINC000905089809	851639353	/nfs/dbraw/zinc/63/93/53/851639353.db2.gz	RHLOJVFOKVCHPA-SFHVURJKSA-N	1	0	358.486	1.958	20	30		FDEDRO
C=CCN1CCC([NH2+]C[C@@H](O)CC2(O)CCC(C(=O)OCC)CC2)CC1	ZINC000905093671	851676882	/nfs/dbraw/zinc/67/68/82/851676882.db2.gz	AHKOEGMIYOASGI-IPCDKGFNSA-N	1	0	368.518	1.462	20	30		FDEDRO
CC[C@](O)(C[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(F)(F)F	ZINC000905229134	851738117	/nfs/dbraw/zinc/73/81/17/851738117.db2.gz	HDSQADZCHNXIDY-ZBFHGGJFSA-N	1	0	355.360	1.952	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1	ZINC000913523534	862289953	/nfs/dbraw/zinc/28/99/53/862289953.db2.gz	DNWHVAIWVOQNHP-UHFFFAOYSA-N	1	0	354.204	1.581	20	30		FDEDRO
CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCC#CC[NH+](C)C)c1	ZINC000913514914	862293754	/nfs/dbraw/zinc/29/37/54/862293754.db2.gz	ANMZJHTWOCRDQP-UHFFFAOYSA-N	1	0	365.499	1.320	20	30		FDEDRO
Cn1ccc(-c2nc(C=NNC(=S)NCCC[NH+](C)C)cs2)n1	ZINC000905447606	851926186	/nfs/dbraw/zinc/92/61/86/851926186.db2.gz	BEFWKVOVYBHFKJ-UHFFFAOYSA-N	1	0	351.505	1.293	20	30		FDEDRO
Cc1csc(C(=O)NCC#CC[NH+](C)C)c1I	ZINC000913520991	862306053	/nfs/dbraw/zinc/30/60/53/862306053.db2.gz	HGIPWZPSMOAFOD-UHFFFAOYSA-N	1	0	362.236	1.956	20	30		FDEDRO
Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)NCC#CC[NH+](C)C	ZINC000913521462	862307044	/nfs/dbraw/zinc/30/70/44/862307044.db2.gz	AJGOZDAQABAKRZ-PXNSSMCTSA-N	1	0	366.465	1.940	20	30		FDEDRO
C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]C[C@@H](O)COc3ccc(CC#N)cc3)O2)CO1	ZINC000905487185	851987901	/nfs/dbraw/zinc/98/79/01/851987901.db2.gz	SETHLSDLCJIEFG-WSTLGDPDSA-N	1	0	360.454	1.809	20	30		FDEDRO
COC(=O)[C@H](C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)Cc1ccccc1	ZINC000905528945	852022994	/nfs/dbraw/zinc/02/29/94/852022994.db2.gz	KVQZEROZGNNBEP-ZWKOTPCHSA-N	1	0	360.454	1.679	20	30		FDEDRO
CS(=O)(=O)c1ccccc1CC[NH2+]C[C@@H](O)COc1ccc(C#N)cc1	ZINC000905560413	852037328	/nfs/dbraw/zinc/03/73/28/852037328.db2.gz	MIYVYUVSFQWCOP-QGZVFWFLSA-N	1	0	374.462	1.534	20	30		FDEDRO
Cn1nc(C(F)(F)F)cc1C[NH2+]C[C@H](O)COc1ccccc1C#N	ZINC000905568101	852042240	/nfs/dbraw/zinc/04/22/40/852042240.db2.gz	IYNRTOXPEZWRGP-ZDUSSCGKSA-N	1	0	354.332	1.840	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCCN(CC)C2=O)c(OC)c1	ZINC000905549425	852050558	/nfs/dbraw/zinc/05/05/58/852050558.db2.gz	FSJMRKDMZWJPMY-DLBZAZTESA-N	1	0	362.470	1.764	20	30		FDEDRO
C=CCC1(C(=O)NCCN2CC[NH+](C)CC2)CN(C(=O)OC(C)(C)C)C1	ZINC000905551279	852054175	/nfs/dbraw/zinc/05/41/75/852054175.db2.gz	KBTBJEDQYNRQGJ-UHFFFAOYSA-N	1	0	366.506	1.163	20	30		FDEDRO
CN1CC[N@H+](C)CC(C(=O)N[C@H](C#N)c2ccc(Br)cc2)C1	ZINC000905897918	852379526	/nfs/dbraw/zinc/37/95/26/852379526.db2.gz	GUHANDCPFKAJRZ-OAHLLOKOSA-N	1	0	365.275	1.623	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C)n2ncnc21)C(C)C	ZINC000668532047	852721776	/nfs/dbraw/zinc/72/17/76/852721776.db2.gz	RXUUPRNBZNSYNB-HRCADAONSA-N	1	0	374.489	1.215	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1CN(Cc2ccc(C(=O)NC)cc2)C[C@H]1OC	ZINC001212143738	862400243	/nfs/dbraw/zinc/40/02/43/862400243.db2.gz	NZDFTJQRGYCXKE-RTBURBONSA-N	1	0	371.481	1.555	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](CCO)CC2CCCCC2)CC1	ZINC000485853349	852988439	/nfs/dbraw/zinc/98/84/39/852988439.db2.gz	KDHQFNMEHVKHER-IBGZPJMESA-N	1	0	364.534	1.553	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2c2nccs2)C1	ZINC001077446888	862444328	/nfs/dbraw/zinc/44/43/28/862444328.db2.gz	YDXTVJIVGNKRPC-RBSFLKMASA-N	1	0	350.488	1.239	20	30		FDEDRO
C[C@@H]1[C@H](NS(=O)(=O)c2ccc(C#N)cn2)CCN1Cc1ccccc1	ZINC000907194757	853937510	/nfs/dbraw/zinc/93/75/10/853937510.db2.gz	RFYDSPQFDDOQOG-RHSMWYFYSA-N	1	0	356.451	1.895	20	30		FDEDRO
CC(C)CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)cn1	ZINC000907319411	854075010	/nfs/dbraw/zinc/07/50/10/854075010.db2.gz	YDJBMBHYGJLTHI-UHFFFAOYSA-N	1	0	350.488	1.942	20	30		FDEDRO
C=CCc1cc(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)c(O)c(OC)c1	ZINC000164375337	862548058	/nfs/dbraw/zinc/54/80/58/862548058.db2.gz	XTBLPHSVECUYID-UHFFFAOYSA-N	1	0	373.497	1.869	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1	ZINC000907949179	854836998	/nfs/dbraw/zinc/83/69/98/854836998.db2.gz	VNKIQRPHOROYAI-UHFFFAOYSA-N	1	0	357.451	1.070	20	30		FDEDRO
C=CCn1c(-c2ncnc3[nH]cnc32)nnc1N1CC[N@@H+](CC)[C@@H](C)C1	ZINC000908711443	855714015	/nfs/dbraw/zinc/71/40/15/855714015.db2.gz	AFCGILFLKSGBMK-LBPRGKRZSA-N	1	0	353.434	1.279	20	30		FDEDRO
C=CCn1c(-c2ccc(=O)n(C)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1	ZINC000908741653	855739943	/nfs/dbraw/zinc/73/99/43/855739943.db2.gz	MWNOWCGXKQNTGC-QGZVFWFLSA-N	1	0	368.485	1.894	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@H]2C[N@@H+](CCOCCOC)C[C@@]2(C)C1	ZINC001101161638	856034061	/nfs/dbraw/zinc/03/40/61/856034061.db2.gz	MTPSETABLJJOPP-SCTDSRPQSA-N	1	0	354.491	1.411	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)C(=O)NCC(=O)NCC[NH+]1CCCCC1	ZINC000909316369	856397623	/nfs/dbraw/zinc/39/76/23/856397623.db2.gz	VYSNMPOTWNIUEG-MRXNPFEDSA-N	1	0	356.470	1.455	20	30		FDEDRO
C=C(C)Cn1c(-c2cccnn2)nnc1N1CCN([C@H]2CCOC2)CC1	ZINC000909308044	856421305	/nfs/dbraw/zinc/42/13/05/856421305.db2.gz	WDFLYFUYXVXTRL-HNNXBMFYSA-N	1	0	355.446	1.222	20	30		FDEDRO
C=C(C)Cn1c(-c2ncnc3[nH]cnc32)nnc1N1CC[NH+](CC)CC1	ZINC000909310881	856425112	/nfs/dbraw/zinc/42/51/12/856425112.db2.gz	FZNZWAIDYUQFNQ-UHFFFAOYSA-N	1	0	353.434	1.281	20	30		FDEDRO
CC[N@@H+]1CCCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)[C@H](C)C1	ZINC000910286426	857035868	/nfs/dbraw/zinc/03/58/68/857035868.db2.gz	AEOSOHJAIDBARV-CQSZACIVSA-N	1	0	352.442	1.882	20	30		FDEDRO
N#Cc1cccc(CN2C[C@@H](NC(=O)c3cccc4nccn43)[C@@H](O)C2)c1	ZINC001083636687	857165081	/nfs/dbraw/zinc/16/50/81/857165081.db2.gz	INILZOQJDJSSCE-AEFFLSMTSA-N	1	0	361.405	1.181	20	30		FDEDRO
C#CCCCc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CC1CC1	ZINC000910428265	857193904	/nfs/dbraw/zinc/19/39/04/857193904.db2.gz	ROQUNIAFCYADNK-SFHVURJKSA-N	1	0	357.502	1.803	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCC(CC[NH+](C)C)CC1	ZINC000910585869	857352234	/nfs/dbraw/zinc/35/22/34/857352234.db2.gz	WHSQRPMMOSYALC-UHFFFAOYSA-N	1	0	362.499	1.768	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC([C@@H]3CCCCO3)CC2)CC1	ZINC000668835747	857453155	/nfs/dbraw/zinc/45/31/55/857453155.db2.gz	IXNUUMWCGZHDSG-SFHVURJKSA-N	1	0	363.502	1.561	20	30		FDEDRO
CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N(C)Cc1cc(C#N)cs1	ZINC000910667261	857485248	/nfs/dbraw/zinc/48/52/48/857485248.db2.gz	XYSUYDWGTAVQNK-HNNXBMFYSA-N	1	0	362.499	1.911	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@@H]2CCc3ccccc32)CC1	ZINC000668836392	857518663	/nfs/dbraw/zinc/51/86/63/857518663.db2.gz	XYIUFHAKRITDHU-KRWDZBQOSA-N	1	0	355.482	1.941	20	30		FDEDRO
N#Cc1ccc(N(C(=O)C(=O)NCCCCC2CC2)[C@@H]2CCC[NH2+]C2)nc1	ZINC000910858949	857788792	/nfs/dbraw/zinc/78/87/92/857788792.db2.gz	WJJCVDHIKDFNKX-QGZVFWFLSA-N	1	0	369.469	1.735	20	30		FDEDRO
CC(C)[N@H+](CCO)CC1CCN(C(=O)CNc2ccc(C#N)cc2)CC1	ZINC000910862815	857794838	/nfs/dbraw/zinc/79/48/38/857794838.db2.gz	YKYZSHYIZHZXEK-UHFFFAOYSA-N	1	0	358.486	1.911	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccccn2)C[C@H]1C	ZINC001105759973	862959268	/nfs/dbraw/zinc/95/92/68/862959268.db2.gz	GKQAUERSNDXLRM-IAGOWNOFSA-N	1	0	358.486	1.804	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(C(C)(C)C[NH3+])CC1	ZINC000910952132	857923160	/nfs/dbraw/zinc/92/31/60/857923160.db2.gz	HTYLGCGKFCYVNG-GOEBONIOSA-N	1	0	351.491	1.307	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2COc3ccc(Cl)cc32)[C@@H](O)C1	ZINC001083641163	858006542	/nfs/dbraw/zinc/00/65/42/858006542.db2.gz	BIUKMKJHRMZUFI-OAGGEKHMSA-N	1	0	350.846	1.944	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1)c1ccncc1	ZINC000911001709	858019527	/nfs/dbraw/zinc/01/95/27/858019527.db2.gz	NBZZRALPGXFCOG-RDBSUJKOSA-N	1	0	370.375	1.553	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1C[C@H]2COC[C@@]2(C)C1	ZINC000669334461	863002624	/nfs/dbraw/zinc/00/26/24/863002624.db2.gz	BINFAWXEVAZYEF-PFRQMTDMSA-N	1	0	373.501	1.863	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1	ZINC000911311088	858478375	/nfs/dbraw/zinc/47/83/75/858478375.db2.gz	AERAXXAYZWIKLJ-KBPBESRZSA-N	1	0	368.359	1.107	20	30		FDEDRO
O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1cccc(C#CCO)c1	ZINC000912287214	859557829	/nfs/dbraw/zinc/55/78/29/859557829.db2.gz	PPWGBTIUAKAOEQ-UHFFFAOYSA-N	1	0	356.466	1.651	20	30		FDEDRO
O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccc(C#CCO)c1	ZINC000912386032	859669029	/nfs/dbraw/zinc/66/90/29/859669029.db2.gz	VGKYUUSTBBXJDN-OAQYLSRUSA-N	1	0	364.445	1.527	20	30		FDEDRO
CC(C)(C)[NH+]=C(NCCc1cccs1)NCCN1CCCS1(=O)=O	ZINC000912506506	859831727	/nfs/dbraw/zinc/83/17/27/859831727.db2.gz	PKTQNLDDXVHXIN-UHFFFAOYSA-N	1	0	372.560	1.660	20	30		FDEDRO
CCN(CCO)c1ccc(C=NNC(=S)NCCCOC)c(C)c1	ZINC000916279588	881509156	/nfs/dbraw/zinc/50/91/56/881509156.db2.gz	CIIFKGVSBGFXIO-UHFFFAOYSA-N	1	0	352.504	1.648	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)N2C[C@H](C)N(CC#N)[C@@H](C)C2)CC1	ZINC000916323064	881539778	/nfs/dbraw/zinc/53/97/78/881539778.db2.gz	GRAJDHNTTRPCJK-HOTGVXAUSA-N	1	0	351.495	1.115	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@@]2(CCOC2)C1	ZINC000669034651	860852671	/nfs/dbraw/zinc/85/26/71/860852671.db2.gz	UOYWMYRCZLJJOS-JTDSTZFVSA-N	1	0	359.474	1.617	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC([NH+]3CCC3)CC2)c1	ZINC000912883434	860995281	/nfs/dbraw/zinc/99/52/81/860995281.db2.gz	CCQOEJXKIPPDDK-UHFFFAOYSA-N	1	0	363.483	1.461	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1C[C@H](C)N(CCO)C[C@H]1C	ZINC000916416463	881610377	/nfs/dbraw/zinc/61/03/77/881610377.db2.gz	BWKNFUXRCWXFSS-JKSUJKDBSA-N	1	0	365.499	1.392	20	30		FDEDRO
C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C[NH2+]CC#Cc1cccc(Cl)c1	ZINC001105810932	863325434	/nfs/dbraw/zinc/32/54/34/863325434.db2.gz	FXGMTVOAPOGOSG-UKRRQHHQSA-N	1	0	362.861	1.044	20	30		FDEDRO
CCc1nc(C)c(C[NH2+]C[C@@H]2CN(C(=O)CSCC#N)C[C@H]2C)o1	ZINC001105845966	863474712	/nfs/dbraw/zinc/47/47/12/863474712.db2.gz	BUFZYSYUJYOVHG-TZMCWYRMSA-N	1	0	350.488	1.986	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)c3cc[nH]n3)C[C@H]2C)c1	ZINC001105846101	863474716	/nfs/dbraw/zinc/47/47/16/863474716.db2.gz	IMEYSLJKIJUIST-GDBMZVCRSA-N	1	0	365.437	1.327	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C)C(=O)N1CCCCC1	ZINC001105848503	863493760	/nfs/dbraw/zinc/49/37/60/863493760.db2.gz	ZPKGENSTHLJNRM-BZUAXINKSA-N	1	0	366.531	1.328	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCCO2)C[C@H]1C	ZINC001105859130	863520194	/nfs/dbraw/zinc/52/01/94/863520194.db2.gz	TUHJGUJLWXVJBX-KZNAEPCWSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CSCC#N)C2)C1=O	ZINC001111600466	863646172	/nfs/dbraw/zinc/64/61/72/863646172.db2.gz	UOPDLRAVQPHRKS-MPGHIAIKSA-N	1	0	362.499	1.001	20	30		FDEDRO
CCO[C@H](CC)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CCC#N)[C@H](C)C1	ZINC001105896620	863773451	/nfs/dbraw/zinc/77/34/51/863773451.db2.gz	BJHOATXWAQQBJI-BRWVUGGUSA-N	1	0	366.506	1.248	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)O1	ZINC001033186132	881695204	/nfs/dbraw/zinc/69/52/04/881695204.db2.gz	UFTUZKSRFVRKFD-ATZDWAIDSA-N	1	0	356.470	1.310	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC2CN(Cc3ccc(OCC#N)cc3)C2)CC[N@@H+]1C	ZINC001030339282	863928119	/nfs/dbraw/zinc/92/81/19/863928119.db2.gz	MUVNIRLNFVDTEQ-RBUKOAKNSA-N	1	0	356.470	1.620	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC2CN(Cc3ccc(OC)c(C#N)c3)C2)CC[N@@H+]1C	ZINC001030339389	863928703	/nfs/dbraw/zinc/92/87/03/863928703.db2.gz	QRDLZXFBHVUVNS-ZWKOTPCHSA-N	1	0	356.470	1.598	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN2CC(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)c1	ZINC001030339454	863928722	/nfs/dbraw/zinc/92/87/22/863928722.db2.gz	URIWPKLYLPFWSG-RBUKOAKNSA-N	1	0	368.481	1.137	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnc3nccnc3c2)C[C@H]1C(F)(F)F	ZINC001112116117	864067266	/nfs/dbraw/zinc/06/72/66/864067266.db2.gz	LCBJCMYLMCWMKA-TZMCWYRMSA-N	1	0	363.343	1.641	20	30		FDEDRO
CCNC(=O)CCC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1	ZINC001105931758	864076770	/nfs/dbraw/zinc/07/67/70/864076770.db2.gz	QNEVDPOGVXSNNY-CRAIPNDOSA-N	1	0	356.470	1.659	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2cnn(-c3ccccc3)n2)[C@H](C)C1	ZINC001105937867	864130153	/nfs/dbraw/zinc/13/01/53/864130153.db2.gz	JGWCODFJHBKTNY-IAGOWNOFSA-N	1	0	369.469	1.654	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@@H](C)CCCCC)[C@H](C)C1	ZINC001105938791	864133883	/nfs/dbraw/zinc/13/38/83/864133883.db2.gz	ZJOOFPFCWJMRTJ-FGTMMUONSA-N	1	0	367.534	1.958	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2nc3ccccc3n2C)[C@H](C)C1	ZINC001105942526	864161743	/nfs/dbraw/zinc/16/17/43/864161743.db2.gz	KTDZVBNDCAFSTA-HZPDHXFCSA-N	1	0	356.470	1.960	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC(C)C)C(C)C)[C@H](C)C1	ZINC001105942306	864168975	/nfs/dbraw/zinc/16/89/75/864168975.db2.gz	FREDOBJPOJUJNW-QZTJIDSGSA-N	1	0	367.534	1.766	20	30		FDEDRO
CCCn1nccc1NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C	ZINC001105951370	864210309	/nfs/dbraw/zinc/21/03/09/864210309.db2.gz	DIXCOGJGFKSLAS-RRFJBIMHSA-N	1	0	360.462	1.075	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COCC(C)C)[C@H](C)C1	ZINC001105984264	864340096	/nfs/dbraw/zinc/34/00/96/864340096.db2.gz	CINDUMQGYSRGMO-GUDVDZBRSA-N	1	0	370.534	1.687	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CCCCC(=O)N2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088850315	864621902	/nfs/dbraw/zinc/62/19/02/864621902.db2.gz	KUZGJVDZODYJBZ-FHLIZLRMSA-N	1	0	354.454	1.696	20	30		FDEDRO
CCC(C)(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC001106025548	864789723	/nfs/dbraw/zinc/78/97/23/864789723.db2.gz	XIGXGEMRIWSEPC-UKRRQHHQSA-N	1	0	359.474	1.489	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1CN(Cc2ccc(OC)c(C#N)c2)C[C@H]1OC	ZINC001212187101	864883130	/nfs/dbraw/zinc/88/31/30/864883130.db2.gz	KBHLOMDULNLDEU-IEBWSBKVSA-N	1	0	355.438	1.686	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)C(C)(C)[NH+]2CCCCC2)C1	ZINC000991852994	864947785	/nfs/dbraw/zinc/94/77/85/864947785.db2.gz	NSAARARYRVDVTM-SJORKVTESA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[C@H](C)OC)C[C@H]1C	ZINC001106040934	864949062	/nfs/dbraw/zinc/94/90/62/864949062.db2.gz	ZLMYJTYFMGDNTE-FGTMMUONSA-N	1	0	365.518	1.686	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccnc(N(C)C)c2)[C@@H]1C	ZINC001088868262	864999754	/nfs/dbraw/zinc/99/97/54/864999754.db2.gz	TVGXWUZWXPASKX-BGTYHANMSA-N	1	0	358.486	1.818	20	30		FDEDRO
CNC(=O)CC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2Cl)[C@H](C)C1	ZINC001106050208	865012533	/nfs/dbraw/zinc/01/25/33/865012533.db2.gz	MYZZXMLYBGNWSX-GDBMZVCRSA-N	1	0	361.873	1.512	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NCCCOCC)[C@H](C)C1	ZINC001106056894	865058474	/nfs/dbraw/zinc/05/84/74/865058474.db2.gz	KDNXZURAJRKAJE-KZNAEPCWSA-N	1	0	365.518	1.405	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nnc(CC)s2)[C@H](C)C1	ZINC001106065288	865110571	/nfs/dbraw/zinc/11/05/71/865110571.db2.gz	VHGAMYQSIOWSFL-XNJGSVPQSA-N	1	0	352.504	1.612	20	30		FDEDRO
COc1ccnc(C(=N)Nc2ccc([C@]34CC[NH2+][C@H]3COCC4)cc2)n1	ZINC001168421834	865696213	/nfs/dbraw/zinc/69/62/13/865696213.db2.gz	AVGWSEHKFCQAHU-HNAYVOBHSA-N	1	0	353.426	1.542	20	30		FDEDRO
C=CCN1CC[C@@H](N2CC[C@H](NC(=O)c3c[nH+]ccc3N(C)C)[C@H]2C)C1=O	ZINC001088985884	865926143	/nfs/dbraw/zinc/92/61/43/865926143.db2.gz	YQZALUFWXKIEGH-UWWQBHOKSA-N	1	0	371.485	1.127	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCc2ccc(CC)cc2)C[C@H]1OC	ZINC001212193207	865940412	/nfs/dbraw/zinc/94/04/12/865940412.db2.gz	BIMXEFDPYKNGFK-SBHAEUEKSA-N	1	0	360.498	1.934	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C[C@H]3CCc4ncnn43)[C@@H]2C)cn1	ZINC001088991137	865956403	/nfs/dbraw/zinc/95/64/03/865956403.db2.gz	KCUGRYUCNGHXQC-XYPHTWIQSA-N	1	0	350.426	1.035	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+]([C@H]2CCN(CC=C)C2=O)[C@@H]1C	ZINC001089006423	866011667	/nfs/dbraw/zinc/01/16/67/866011667.db2.gz	DRQFZGRZSDIJCF-UXPWSPDFSA-N	1	0	365.477	1.576	20	30		FDEDRO
CC(=O)N1CC[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)C1	ZINC001089009529	866069474	/nfs/dbraw/zinc/06/94/74/866069474.db2.gz	LNAFSQOPZIFAQK-ZMYBRWDISA-N	1	0	354.454	1.506	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H](C[NH2+]CC#Cc3ccccc3)[C@H](C)C2)o1	ZINC001106083407	866160752	/nfs/dbraw/zinc/16/07/52/866160752.db2.gz	RRNXLJWAIOODMN-CRAIPNDOSA-N	1	0	352.438	1.656	20	30		FDEDRO
NC(=[NH+]OCc1noc(C2CC2)n1)c1ccc(N2CCC(O)CC2)cc1	ZINC000174126568	866269904	/nfs/dbraw/zinc/26/99/04/866269904.db2.gz	UNZVWVQQEZFRQJ-UHFFFAOYSA-N	1	0	357.414	1.745	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3nnc(CC)o3)[C@@H]2C)CC1	ZINC001089059478	866385521	/nfs/dbraw/zinc/38/55/21/866385521.db2.gz	NVBZXQKRKVEOOP-ZBFHGGJFSA-N	1	0	359.474	1.056	20	30		FDEDRO
C=CCC(CC=C)C(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001061610026	882001314	/nfs/dbraw/zinc/00/13/14/882001314.db2.gz	DGVZHBHOAOSETD-BPQIPLTHSA-N	1	0	363.502	1.439	20	30		FDEDRO
C=CC(C)(C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001061616124	882089813	/nfs/dbraw/zinc/08/98/13/882089813.db2.gz	CFCPSTGAFVFAEL-BZUAXINKSA-N	1	0	351.491	1.273	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)NCC(C)(C)CC#N)cn2)CC1	ZINC000457657693	867603638	/nfs/dbraw/zinc/60/36/38/867603638.db2.gz	CXJRRBOLLVVKPN-UHFFFAOYSA-N	1	0	358.490	1.963	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1	ZINC000992074908	867700799	/nfs/dbraw/zinc/70/07/99/867700799.db2.gz	RHCNNNARHLQMBZ-FGTMMUONSA-N	1	0	363.502	1.415	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccccc2)C1	ZINC001112312267	867730785	/nfs/dbraw/zinc/73/07/85/867730785.db2.gz	QHFGCKDGANCGDU-RXVVDRJESA-N	1	0	353.466	1.544	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)C3CCCCC3)C[C@H]2O)cc1	ZINC001077493617	867960322	/nfs/dbraw/zinc/96/03/22/867960322.db2.gz	CUFIJYMARBJZHZ-VAMGGRTRSA-N	1	0	356.466	1.384	20	30		FDEDRO
CC(C)OCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C	ZINC001106106166	868171933	/nfs/dbraw/zinc/17/19/33/868171933.db2.gz	MATQKJZNIYPSEA-SJLPKXTDSA-N	1	0	363.502	1.015	20	30		FDEDRO
CCOCCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C	ZINC001106106292	868183551	/nfs/dbraw/zinc/18/35/51/868183551.db2.gz	QPGGPJAVUIWUAW-JFIYKMOQSA-N	1	0	363.502	1.015	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC2CC(NC(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000992184495	868212866	/nfs/dbraw/zinc/21/28/66/868212866.db2.gz	KMGIWHRVARLTAN-SJROMKODSA-N	1	0	357.498	1.389	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]2CC1	ZINC000946786381	882170791	/nfs/dbraw/zinc/17/07/91/882170791.db2.gz	JOOPJLGRDZHTAT-WKULXVSPSA-N	1	0	361.486	1.027	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C[NH2+]CC[C@@H]1CCS(=O)(=O)C1	ZINC001106109233	868297250	/nfs/dbraw/zinc/29/72/50/868297250.db2.gz	GXXCNZWGIANDFR-BRWVUGGUSA-N	1	0	368.543	1.545	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C(=O)NC)cc2)[C@H](C)C1	ZINC001106111035	868379242	/nfs/dbraw/zinc/37/92/42/868379242.db2.gz	GHOAAXHPQVQREU-GPMSIDNRSA-N	1	0	371.481	1.269	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)c(C#N)c2)[C@H](C)C1	ZINC001106111089	868380469	/nfs/dbraw/zinc/38/04/69/868380469.db2.gz	HCSFPKOTGGFAAX-GPMSIDNRSA-N	1	0	369.465	1.789	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C[NH2+]CCCS(=O)(=O)N(C)C	ZINC001106112812	868414010	/nfs/dbraw/zinc/41/40/10/868414010.db2.gz	QPIHNTIDLGYAFC-HZPDHXFCSA-N	1	0	371.547	1.002	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cc3n(n2)CCCC3)[C@H](C)C1	ZINC001106117084	868580329	/nfs/dbraw/zinc/58/03/29/868580329.db2.gz	ZDWDASBVSSSMLH-BRWVUGGUSA-N	1	0	358.486	1.442	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cc(CO)ccc2F)[C@H](C)C1	ZINC001106117113	868587380	/nfs/dbraw/zinc/58/73/80/868587380.db2.gz	ZZCIHHGRCPLPFS-RVKKMQEKSA-N	1	0	362.445	1.540	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CNC(=O)N2CCCC2)C[C@H]1C	ZINC001106117330	868594142	/nfs/dbraw/zinc/59/41/42/868594142.db2.gz	MERUYURTWSMKDK-IXDOHACOSA-N	1	0	350.507	1.831	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)N2CCCCC2)[C@H](C)C1	ZINC001106117495	868609407	/nfs/dbraw/zinc/60/94/07/868609407.db2.gz	RRAUDUWSITWIGP-KZNAEPCWSA-N	1	0	363.502	1.111	20	30		FDEDRO
CN(c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)C1CC[NH+](CCO)CC1	ZINC000443416397	868649724	/nfs/dbraw/zinc/64/97/24/868649724.db2.gz	IJVXRDRIHAMRFL-UHFFFAOYSA-N	1	0	355.398	1.908	20	30		FDEDRO
C=CCCOCCCCC(=O)N1C[C@@H](C[NH2+]Cc2ncnn2C)[C@H](C)C1	ZINC001106122977	868886496	/nfs/dbraw/zinc/88/64/96/868886496.db2.gz	IUVZGFRYZMNQIA-IAGOWNOFSA-N	1	0	363.506	1.762	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@H](OC)C3CCCC3)C[C@@H]2O)cc1	ZINC001083691428	869091598	/nfs/dbraw/zinc/09/15/98/869091598.db2.gz	ORWZYCSXZDJLTA-AABGKKOBSA-N	1	0	356.466	1.648	20	30		FDEDRO
COc1cc(CNC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)ccc1C#N	ZINC000460674182	869206117	/nfs/dbraw/zinc/20/61/17/869206117.db2.gz	QUBQXNPTFZKFBI-OAHLLOKOSA-N	1	0	360.458	1.867	20	30		FDEDRO
CCOC(=O)c1cnn(C)c1NC(=O)C[NH2+]C1(c2cccc(C#N)c2)CC1	ZINC000271823603	869225056	/nfs/dbraw/zinc/22/50/56/869225056.db2.gz	SNHNJCOAFGDZBP-UHFFFAOYSA-N	1	0	367.409	1.686	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000914016758	870360295	/nfs/dbraw/zinc/36/02/95/870360295.db2.gz	GLKIKERFEDPPKS-SJORKVTESA-N	1	0	363.483	1.458	20	30		FDEDRO
C#CCN(C(=O)NCc1ccccc1Cn1cncn1)C1CC[NH+](C)CC1	ZINC000914041208	870466749	/nfs/dbraw/zinc/46/67/49/870466749.db2.gz	DDDNRVLWOVMTSY-UHFFFAOYSA-N	1	0	366.469	1.565	20	30		FDEDRO
C#CC[C@@H](CO)NC(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000914058728	870509125	/nfs/dbraw/zinc/50/91/25/870509125.db2.gz	GAUQSSYWBNIWCK-IBGZPJMESA-N	1	0	358.486	1.008	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)N[C@H](C)CN1CC[NH+](C)CC1	ZINC000914074947	870619410	/nfs/dbraw/zinc/61/94/10/870619410.db2.gz	OPGVUSRPWJCDCP-MRXNPFEDSA-N	1	0	364.515	1.230	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(CCOCC)CCC2)C[C@H]1C	ZINC001106139387	870821501	/nfs/dbraw/zinc/82/15/01/870821501.db2.gz	TZDJOBAJYSOWRC-IAGOWNOFSA-N	1	0	363.502	1.017	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(Cl)c2C)C[C@H]1C	ZINC001106159454	871473216	/nfs/dbraw/zinc/47/32/16/871473216.db2.gz	SOZPYDUGTDZOJE-UKRRQHHQSA-N	1	0	361.873	1.696	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(C(N)=O)c2)C1	ZINC001033431227	882512902	/nfs/dbraw/zinc/51/29/02/882512902.db2.gz	BWDOSDGMLKEGCQ-KURKYZTESA-N	1	0	357.454	1.409	20	30		FDEDRO
CCC(=O)N[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1	ZINC001106164245	871500258	/nfs/dbraw/zinc/50/02/58/871500258.db2.gz	HSKJVBGXAKQEHV-RVKKMQEKSA-N	1	0	356.470	1.657	20	30		FDEDRO
CCC(=O)N[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1	ZINC001106164848	871503038	/nfs/dbraw/zinc/50/30/38/871503038.db2.gz	VUHFZOCYOABSSK-RVKKMQEKSA-N	1	0	356.470	1.657	20	30		FDEDRO
C#C[C@H](NC(=O)N[C@@H]1C[C@@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O)[C@@H]1CCCO1	ZINC000922048224	871571543	/nfs/dbraw/zinc/57/15/43/871571543.db2.gz	VRKPOOPVQXANKD-OIHMHFBDSA-N	1	0	363.502	1.336	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCOC)[C@H](C)C1	ZINC001106175407	871578165	/nfs/dbraw/zinc/57/81/65/871578165.db2.gz	AXJTXWGITIBHKT-SJLPKXTDSA-N	1	0	365.518	1.592	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)[C@H](C)C1	ZINC001106173730	871594954	/nfs/dbraw/zinc/59/49/54/871594954.db2.gz	CXOWRTZZPCFKOT-VNHYZAJKSA-N	1	0	350.463	1.022	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(N)=O)[C@H](C)C1	ZINC001106173729	871594985	/nfs/dbraw/zinc/59/49/85/871594985.db2.gz	CXOWRTZZPCFKOT-UMVBOHGHSA-N	1	0	350.463	1.022	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1	ZINC000672783137	871709041	/nfs/dbraw/zinc/70/90/41/871709041.db2.gz	TYSVPYYLQLXWIK-IRXDYDNUSA-N	1	0	350.507	1.086	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2c(C)noc2C)[C@@H](n2ccnn2)C1	ZINC001128657558	882539017	/nfs/dbraw/zinc/53/90/17/882539017.db2.gz	VXTJPHPVQHCERW-WQVCFCJDSA-N	1	0	358.446	1.893	20	30		FDEDRO
C#CCN(C(=O)NCc1ccc(-n2ccnc2C)nc1)C1CC[NH+](C)CC1	ZINC000914289298	872173236	/nfs/dbraw/zinc/17/32/36/872173236.db2.gz	JHKFWCPMPOPYAN-UHFFFAOYSA-N	1	0	366.469	1.815	20	30		FDEDRO
C=CCOCCNC(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1	ZINC000673010913	872361279	/nfs/dbraw/zinc/36/12/79/872361279.db2.gz	HNYPFANOVRURIN-UHFFFAOYSA-N	1	0	360.502	1.648	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1	ZINC001003039000	872372777	/nfs/dbraw/zinc/37/27/77/872372777.db2.gz	CMOBDYAQGDBMOD-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
C[NH+](C)C1(C(=O)N2C[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@]3(C)C2)CCC1	ZINC000992809771	872436800	/nfs/dbraw/zinc/43/68/00/872436800.db2.gz	QTBONAWJGAMOIQ-IFXJQAMLSA-N	1	0	369.469	1.291	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1c(C#N)c(=O)n(C)c(=O)n1C	ZINC000499652370	872506067	/nfs/dbraw/zinc/50/60/67/872506067.db2.gz	HTADVJLEYDVCNQ-GJZGRUSLSA-N	1	0	367.453	1.055	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@]3(C)C2)CC[N@@H+]1C	ZINC000992817003	872512513	/nfs/dbraw/zinc/51/25/13/872512513.db2.gz	RIOPBHKGVXFCGN-YBLQJDFOSA-N	1	0	369.469	1.147	20	30		FDEDRO
C#CCN(C(=O)N[C@H](CC(=O)N(C)C)c1ccccc1)C1CC[NH+](C)CC1	ZINC000914364672	872528093	/nfs/dbraw/zinc/52/80/93/872528093.db2.gz	CSFAQZNJYLOTHL-LJQANCHMSA-N	1	0	370.497	1.945	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC001003162500	872705121	/nfs/dbraw/zinc/70/51/21/872705121.db2.gz	YXQLLUVUUKCFCV-PEZLKRJXSA-N	1	0	369.469	1.478	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2nc(Cc3ccccc3)no2)CC1	ZINC000914415131	872778640	/nfs/dbraw/zinc/77/86/40/872778640.db2.gz	KQHHDFRDIAYLBR-UHFFFAOYSA-N	1	0	353.426	1.557	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1)C1CC[NH+](C)CC1	ZINC000914417914	872792081	/nfs/dbraw/zinc/79/20/81/872792081.db2.gz	XTBUCGURBGHSFV-MRXNPFEDSA-N	1	0	354.454	1.531	20	30		FDEDRO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1nc(Cl)c(C#N)s1	ZINC000888424604	872843941	/nfs/dbraw/zinc/84/39/41/872843941.db2.gz	YURYDRZJOBWZOR-MRVPVSSYSA-N	1	0	356.839	1.252	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1nnn(C)c1C(F)(F)F)C2	ZINC001112541940	873079516	/nfs/dbraw/zinc/07/95/16/873079516.db2.gz	XEZNMBHMFMSXRV-LRDDRELGSA-N	1	0	369.391	1.689	20	30		FDEDRO
C[C@H](C(=O)N1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C)C1)[NH+]1CCCCCC1	ZINC000992904745	873128339	/nfs/dbraw/zinc/12/83/39/873128339.db2.gz	NKNPUNRPKHDNFE-JUXOCIIHSA-N	1	0	371.525	1.971	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)CCc2ccco2)[C@@H](n2ccnn2)C1	ZINC001128688435	882697889	/nfs/dbraw/zinc/69/78/89/882697889.db2.gz	IAFHPXWHWOZVEB-SJORKVTESA-N	1	0	359.430	1.048	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccoc2)CC1	ZINC001003362504	873213655	/nfs/dbraw/zinc/21/36/55/873213655.db2.gz	ABIIKIQFHBNTOC-KURKYZTESA-N	1	0	355.438	1.487	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc[nH]2)CC1	ZINC001003363033	873217170	/nfs/dbraw/zinc/21/71/70/873217170.db2.gz	JXHLMRRFHBSPJO-NXHRZFHOSA-N	1	0	354.454	1.222	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC23CC3)CC1	ZINC001003365618	873244532	/nfs/dbraw/zinc/24/45/32/873244532.db2.gz	NKODOGWTRTYRHV-TVFCKZIOSA-N	1	0	355.482	1.380	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2[nH]ccc2C)CC1	ZINC001003365892	873244678	/nfs/dbraw/zinc/24/46/78/873244678.db2.gz	RHDZBSOJEOMMMJ-KURKYZTESA-N	1	0	368.481	1.530	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCCS(=O)(=O)C2)[C@H](C)C1	ZINC001106194300	873269503	/nfs/dbraw/zinc/26/95/03/873269503.db2.gz	IPKDYHHTLRYGFK-BRWVUGGUSA-N	1	0	356.532	1.852	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+]CCN2CCCS2(=O)=O)[C@H](C)C1	ZINC001106193360	873273399	/nfs/dbraw/zinc/27/33/99/873273399.db2.gz	GMTVRCYYFSNSIL-HZPDHXFCSA-N	1	0	357.520	1.062	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCO[C@H](C)C2)[C@H](C)C1	ZINC001106194243	873278936	/nfs/dbraw/zinc/27/89/36/873278936.db2.gz	DOPFXBGUDDVRBK-BRWVUGGUSA-N	1	0	351.491	1.274	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(C4CC4)CC2)C3)CC1	ZINC001003456570	873523348	/nfs/dbraw/zinc/52/33/48/873523348.db2.gz	NKHCGFIEMUZTQQ-QRVBRYPASA-N	1	0	369.509	1.770	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCC[N@H+]1C	ZINC001003507159	873619610	/nfs/dbraw/zinc/61/96/10/873619610.db2.gz	IEKCNWCBVGVYFW-CBZIJGRNSA-N	1	0	356.470	1.630	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)CC4CCC4)C[C@@]3(C)C2)CC1	ZINC000993022349	873719754	/nfs/dbraw/zinc/71/97/54/873719754.db2.gz	ZSQWHQNRUYWYGF-KNQAVFIVSA-N	1	0	371.525	1.829	20	30		FDEDRO
C=CCCn1cc(C[NH2+]C[C@@H](Cc2ccc(F)cc2C)C(=O)NC)nn1	ZINC000657495358	873908319	/nfs/dbraw/zinc/90/83/19/873908319.db2.gz	AKQDOSLYFUQIHV-MRXNPFEDSA-N	1	0	359.449	1.996	20	30		FDEDRO
C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)[C@@H]3C[C@H]3c3cccnc3)CC2)C1=O	ZINC001003666793	873975167	/nfs/dbraw/zinc/97/51/67/873975167.db2.gz	DIRBGCSLKFBJIK-IPMKNSEASA-N	1	0	368.481	1.553	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2conc2C(C)C)C[C@H]1C	ZINC001106243225	874096810	/nfs/dbraw/zinc/09/68/10/874096810.db2.gz	ZYHLIMDKZADVEG-QLFBSQMISA-N	1	0	362.474	1.786	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2ccsc2)C[C@H]1C	ZINC001106252402	874144709	/nfs/dbraw/zinc/14/47/09/874144709.db2.gz	LFVGOQOEVWASBW-BFYDXBDKSA-N	1	0	361.511	1.503	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1C	ZINC001106257951	874183951	/nfs/dbraw/zinc/18/39/51/874183951.db2.gz	RDHRFVKIEXBMMB-IAGOWNOFSA-N	1	0	353.507	1.500	20	30		FDEDRO
CC[C@]1(C(=O)N2C[C@@H](C[NH2+]CC#Cc3ccccc3)[C@H](C)C2)CCNC1=O	ZINC001106271637	874309964	/nfs/dbraw/zinc/30/99/64/874309964.db2.gz	JSWQGMXCKXZDDI-JUXOCIIHSA-N	1	0	367.493	1.639	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C)C1	ZINC000993113041	874488514	/nfs/dbraw/zinc/48/85/14/874488514.db2.gz	UDCWQHMXSMEAQL-DXIQSLLYSA-N	1	0	371.525	1.827	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCN(C)C2=O)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106297599	874594373	/nfs/dbraw/zinc/59/43/73/874594373.db2.gz	DQFICGWWRLSFMR-YZGWKJHDSA-N	1	0	367.493	1.591	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C2CCC2)C[C@H]1C	ZINC001106305992	874670795	/nfs/dbraw/zinc/67/07/95/874670795.db2.gz	UGOXXRJCOLNEDG-JFIYKMOQSA-N	1	0	362.518	1.869	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)COCc2cc(C)no2)C[C@H]1C	ZINC001106308860	874736500	/nfs/dbraw/zinc/73/65/00/874736500.db2.gz	FHORPMDWSAEACK-GDBMZVCRSA-N	1	0	351.447	1.386	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCc3ccccc32)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106321234	874774982	/nfs/dbraw/zinc/77/49/82/874774982.db2.gz	RGFNNVCPWRBKIQ-SUMDDJOVSA-N	1	0	368.481	1.430	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)cc(C)n2)C[C@H]1C	ZINC001106355566	874886821	/nfs/dbraw/zinc/88/68/21/874886821.db2.gz	MVAYAOXORFUPKH-HYVNUMGLSA-N	1	0	358.486	1.687	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccnc2C(F)F)C[C@H]1C	ZINC001106405416	875144237	/nfs/dbraw/zinc/14/42/37/875144237.db2.gz	ZIOOJOTVUGEKTH-CHWSQXEVSA-N	1	0	366.412	1.619	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccn3ccccc23)C[C@H]1C	ZINC001106409600	875173441	/nfs/dbraw/zinc/17/34/41/875173441.db2.gz	ORASDPAJMZGDAQ-IXDOHACOSA-N	1	0	366.465	1.375	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c(C)cncc2C)C[C@H]1C	ZINC001106421746	875218172	/nfs/dbraw/zinc/21/81/72/875218172.db2.gz	DTXNXIURYQTFNY-IXDOHACOSA-N	1	0	358.486	1.687	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)C2CC2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106421906	875219559	/nfs/dbraw/zinc/21/95/59/875219559.db2.gz	HMROBCBOUBTAMP-ZTNFWEORSA-N	1	0	368.481	1.504	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C)c(C)n2)C[C@H]1C	ZINC001106433868	875298371	/nfs/dbraw/zinc/29/83/71/875298371.db2.gz	UKDKUXYQZSLBGE-DJIMGWMZSA-N	1	0	358.486	1.687	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3ncccc3o2)C[C@H]1C	ZINC001106439922	875304765	/nfs/dbraw/zinc/30/47/65/875304765.db2.gz	HOWJCSLNAGSUHL-ZIAGYGMSSA-N	1	0	356.426	1.428	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c(C)nn(C)c2C)C[C@H]1C	ZINC001106496964	875698368	/nfs/dbraw/zinc/69/83/68/875698368.db2.gz	HJSDLZGYXVAAQC-IVMMDQJWSA-N	1	0	361.490	1.025	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)C[C@H]1C	ZINC001106498973	875715531	/nfs/dbraw/zinc/71/55/31/875715531.db2.gz	WMYOIBJNEQNTPD-UKRRQHHQSA-N	1	0	362.474	1.779	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cn2nc3ccccn3c2=O)C[C@H]1C	ZINC001106506513	875742662	/nfs/dbraw/zinc/74/26/62/875742662.db2.gz	KPZORDYXEKUKQP-HZPDHXFCSA-N	1	0	357.458	1.146	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C#C)cc2)C[C@H]1C	ZINC001106512699	875801177	/nfs/dbraw/zinc/80/11/77/875801177.db2.gz	SKGBDEJRDRZUDP-JTDSTZFVSA-N	1	0	351.450	1.104	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC([C@H]3COC(=O)N3)CC2)CC1	ZINC000917097542	882965275	/nfs/dbraw/zinc/96/52/75/882965275.db2.gz	ALGIRADTTIHLFT-MRXNPFEDSA-N	1	0	350.463	1.557	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(C)CCC2)C[C@H]1C	ZINC001106530574	875862858	/nfs/dbraw/zinc/86/28/58/875862858.db2.gz	IIBSSFNJDKGPGV-RBSFLKMASA-N	1	0	364.490	1.261	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cnccn2)[C@H](C)C1	ZINC001106533714	875885259	/nfs/dbraw/zinc/88/52/59/875885259.db2.gz	HTIMPRIIQVQXJR-IAGOWNOFSA-N	1	0	371.485	1.683	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NCC)[C@H](C)C1	ZINC001106557924	875949795	/nfs/dbraw/zinc/94/97/95/875949795.db2.gz	KVOUXDNIMARHCX-BZUAXINKSA-N	1	0	364.490	1.098	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C)co2)C[C@H]1C	ZINC001106553222	875954990	/nfs/dbraw/zinc/95/49/90/875954990.db2.gz	QUHGEGYCPFMDLJ-HZPDHXFCSA-N	1	0	360.458	1.648	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]CCCNS(=O)(=O)CC)[C@H](C)C1	ZINC001106559388	875966531	/nfs/dbraw/zinc/96/65/31/875966531.db2.gz	RRTAXHTXFWTYOE-IAGOWNOFSA-N	1	0	371.547	1.194	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC2(C)C)C[C@H]1C	ZINC001106560455	875970548	/nfs/dbraw/zinc/97/05/48/875970548.db2.gz	OUWCTFJTXBDNKE-ZACQAIPSSA-N	1	0	362.518	1.869	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2nncs2)[C@H](C)C1	ZINC001106567884	875978004	/nfs/dbraw/zinc/97/80/04/875978004.db2.gz	WIWIPLRMXYXLKQ-HZSPNIEDSA-N	1	0	365.503	1.763	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1C	ZINC001106576040	876008206	/nfs/dbraw/zinc/00/82/06/876008206.db2.gz	SFZQMQXMMSCMKJ-MGPQQGTHSA-N	1	0	355.429	1.244	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@H]2CCCO2)[C@H](C)C1	ZINC001106609669	876179047	/nfs/dbraw/zinc/17/90/47/876179047.db2.gz	JLDAIKJEYXFMLY-BRWVUGGUSA-N	1	0	351.491	1.322	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21	ZINC000915431373	876306706	/nfs/dbraw/zinc/30/67/06/876306706.db2.gz	KBURENPDAKPOFZ-ZWKOTPCHSA-N	1	0	363.483	1.410	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]CC(=O)N(CC)CCC#N)[C@H](C)C2)C1	ZINC001106647414	876381997	/nfs/dbraw/zinc/38/19/97/876381997.db2.gz	OGGOUDNUQGAAQR-IAGOWNOFSA-N	1	0	360.502	1.789	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCCOCC)[C@H](C)C2)C1	ZINC001106647513	876382002	/nfs/dbraw/zinc/38/20/02/876382002.db2.gz	OVDLKWOJXJFBRH-HZPDHXFCSA-N	1	0	351.491	1.180	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]CCCc3nc(C)no3)[C@H](C)C2)c1	ZINC001106650770	876389491	/nfs/dbraw/zinc/38/94/91/876389491.db2.gz	CFMWWKCVCOJKCO-RDTXWAMCSA-N	1	0	367.453	1.685	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC(F)(F)C2)C[C@H]1C	ZINC001106657764	876429702	/nfs/dbraw/zinc/42/97/02/876429702.db2.gz	PRRMWCLXCVRDOW-RBSFLKMASA-N	1	0	355.429	1.245	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C(C)C)n[nH]2)C[C@H]1C	ZINC001106687167	876564817	/nfs/dbraw/zinc/56/48/17/876564817.db2.gz	NWMAZWHGTSVEFH-RBSFLKMASA-N	1	0	361.490	1.522	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@H]1C	ZINC001106693518	876574725	/nfs/dbraw/zinc/57/47/25/876574725.db2.gz	NAZWQKPCUIKAKB-DNVCBOLYSA-N	1	0	355.482	1.388	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCC(F)(F)F)C[C@H]1C	ZINC001106694601	876578307	/nfs/dbraw/zinc/57/83/07/876578307.db2.gz	TWVUGHDRGYLLQC-HZSPNIEDSA-N	1	0	361.408	1.541	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)c2cccc(CN3C(=O)CSC3=O)c2)CC1	ZINC000917125747	883064432	/nfs/dbraw/zinc/06/44/32/883064432.db2.gz	BGMALSYFKGAZQW-UHFFFAOYSA-N	1	0	372.450	1.600	20	30		FDEDRO
C[C@@H]1CN(C(=O)COC[C@@H]2CCOC2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106724258	876974604	/nfs/dbraw/zinc/97/46/04/876974604.db2.gz	GMIDGZZWBAVGRL-HMXCVIKNSA-N	1	0	370.493	1.775	20	30		FDEDRO
C[C@@H]1CN(C(=O)COC[C@H]2CCOC2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001106724102	876981498	/nfs/dbraw/zinc/98/14/98/876981498.db2.gz	BFCIATKCFLUHTO-FUHIMQAGSA-N	1	0	371.481	1.795	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(c3cccc(F)c3)CC2)C[C@H]1C	ZINC001106726982	877000133	/nfs/dbraw/zinc/00/01/33/877000133.db2.gz	DYWMAIFGLMZHCH-HZPDHXFCSA-N	1	0	371.456	1.291	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21	ZINC000272351590	877001626	/nfs/dbraw/zinc/00/16/26/877001626.db2.gz	QSIZGSFSFNUULV-NVXWUHKLSA-N	1	0	370.453	1.837	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](CCO[C@H]2CC2(F)F)CC1	ZINC001003788969	877221832	/nfs/dbraw/zinc/22/18/32/877221832.db2.gz	SPGDHUJURBMHNU-JYJNAYRXSA-N	1	0	358.429	1.972	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2conc2C)[C@H](C)C1	ZINC001106733268	877257197	/nfs/dbraw/zinc/25/71/97/877257197.db2.gz	ONNIQOOKLAKQNV-MZMPZRCHSA-N	1	0	362.474	1.638	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2cncn2C)[C@H](C)C1	ZINC001106733339	877267499	/nfs/dbraw/zinc/26/74/99/877267499.db2.gz	SBDHOUQOLSNYGH-KYJSFNMBSA-N	1	0	361.490	1.075	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2cncn2C)[C@H](C)C1	ZINC001106733340	877267580	/nfs/dbraw/zinc/26/75/80/877267580.db2.gz	SBDHOUQOLSNYGH-QGPMSJSTSA-N	1	0	361.490	1.075	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccsc2C)C[C@H]1C	ZINC001106733791	877276044	/nfs/dbraw/zinc/27/60/44/877276044.db2.gz	HFETVYMJUWEDAR-JKIFEVAISA-N	1	0	363.527	1.974	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001106742859	877412855	/nfs/dbraw/zinc/41/28/55/877412855.db2.gz	VXWUJSAGSMNTLV-CZUORRHYSA-N	1	0	360.433	1.360	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]CCC[C@H]3CCOC3)[C@H](C)C2)nn1	ZINC001106743888	877427466	/nfs/dbraw/zinc/42/74/66/877427466.db2.gz	XWEVRZITIFSHQR-IXDOHACOSA-N	1	0	361.490	1.579	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]CC#Cc3ccccc3)[C@H](C)C2)nn1	ZINC001106743914	877429034	/nfs/dbraw/zinc/42/90/34/877429034.db2.gz	ZCUFXSOHEHLDHI-IEBWSBKVSA-N	1	0	363.465	1.814	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2scnc2COC)C[C@H]1C	ZINC001106744917	877451761	/nfs/dbraw/zinc/45/17/61/877451761.db2.gz	IYRORTKPKHXRHG-ZIAGYGMSSA-N	1	0	351.472	1.237	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CC2)[C@H](C)C1	ZINC001106748713	877465494	/nfs/dbraw/zinc/46/54/94/877465494.db2.gz	MGFMGKIAHDYDDY-RRIFGTCXSA-N	1	0	363.502	1.320	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C[C@H]1C	ZINC001106750359	877495246	/nfs/dbraw/zinc/49/52/46/877495246.db2.gz	AERYILMSXLLCQW-PHXBYCTMSA-N	1	0	370.497	1.861	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]CC[C@@H]3CCCO3)[C@H](C)C2)nn1	ZINC001106750307	877511335	/nfs/dbraw/zinc/51/13/35/877511335.db2.gz	XYYOKZWMFCBAHY-ZACQAIPSSA-N	1	0	361.490	1.721	20	30		FDEDRO
Cc1cccc([C@@H]2C[C@H]2C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)c1	ZINC001106751410	877532971	/nfs/dbraw/zinc/53/29/71/877532971.db2.gz	IUXPYBJWOYJOLU-OQIJWPOYSA-N	1	0	368.481	1.422	20	30		FDEDRO
CC(C)(C[NH2+]Cc1cc(C#N)ccc1Br)CS(N)(=O)=O	ZINC000922317773	877549573	/nfs/dbraw/zinc/54/95/73/877549573.db2.gz	PZXYSHDLJAPNNS-UHFFFAOYSA-N	1	0	360.277	1.725	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@H]1C	ZINC001106754790	877550188	/nfs/dbraw/zinc/55/01/88/877550188.db2.gz	HDPJFZBYEDCBIE-RTXFEEFZSA-N	1	0	358.280	1.248	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2csc(-c3nc[nH]n3)n2)C[C@H]1C	ZINC001106756240	877573676	/nfs/dbraw/zinc/57/36/76/877573676.db2.gz	PXVUPRCBEYEJIB-MWLCHTKSSA-N	1	0	366.878	1.978	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3COc4ccc(Cl)cc43)[C@H]2C1	ZINC001083143341	912254296	/nfs/dbraw/zinc/25/42/96/912254296.db2.gz	DAABFYKLYHUVLL-SOLBZPMBSA-N	1	0	360.841	1.751	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)C[C@@H](C)O3)C[C@H]1C	ZINC001106765101	877632923	/nfs/dbraw/zinc/63/29/23/877632923.db2.gz	NIRCVMFWPKNUBB-IIDMSEBBSA-N	1	0	369.465	1.057	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2ncc3ccccc32)C[C@H]1C	ZINC001106772736	877717118	/nfs/dbraw/zinc/71/71/18/877717118.db2.gz	SWJMPJSXDRLZKF-SJLPKXTDSA-N	1	0	354.454	1.370	20	30		FDEDRO
C=CCOCC(=O)N(C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001078885125	877872014	/nfs/dbraw/zinc/87/20/14/877872014.db2.gz	UYPVPNQZQYPYQR-IXDOHACOSA-N	1	0	351.491	1.369	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc(C(C)(C)C)c2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106793839	877951482	/nfs/dbraw/zinc/95/14/82/877951482.db2.gz	UTSLLSHYYFUTJZ-NVXWUHKLSA-N	1	0	370.497	1.922	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4nc(C)nn4C3)[C@H]2C1	ZINC001083151361	912297966	/nfs/dbraw/zinc/29/79/66/912297966.db2.gz	VRCOZAWCSJEICR-YESZJQIVSA-N	1	0	359.474	1.027	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@]2(C)CCOC2)C[C@H]1C	ZINC001106800745	878024139	/nfs/dbraw/zinc/02/41/39/878024139.db2.gz	IXFMGDYKIIUXEU-MBOZVWFJSA-N	1	0	365.518	1.522	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001106811991	878187757	/nfs/dbraw/zinc/18/77/57/878187757.db2.gz	ZQDXVZZRJGFJHT-TZMCWYRMSA-N	1	0	360.483	1.330	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000272645567	878206438	/nfs/dbraw/zinc/20/64/38/878206438.db2.gz	ZVEWOGOUOZHOCA-GOSISDBHSA-N	1	0	369.469	1.837	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCc2cccnc2)C[C@H]1C	ZINC001106812750	878208148	/nfs/dbraw/zinc/20/81/48/878208148.db2.gz	DAGYLZNIRVZCOS-ZIFCJYIRSA-N	1	0	370.497	1.226	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccnc(OC3CCC3)c2)C[C@H]1C	ZINC001106815498	878234519	/nfs/dbraw/zinc/23/45/19/878234519.db2.gz	FXYMXYUVOPTRNI-SJLPKXTDSA-N	1	0	371.481	1.960	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)CC)C[C@H]1C	ZINC001106822906	878276667	/nfs/dbraw/zinc/27/66/67/878276667.db2.gz	PGVRPWAPCLJGNF-BZUAXINKSA-N	1	0	359.536	1.307	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)cc1	ZINC000763235067	878283020	/nfs/dbraw/zinc/28/30/20/878283020.db2.gz	UOEWANAHBTZDPL-HXUWFJFHSA-N	1	0	365.433	1.854	20	30		FDEDRO
COc1cccc(N2C[C@@H]([NH2+]C[C@@H](O)c3ccc(C#N)cc3)CC2=O)c1	ZINC000763242805	878301607	/nfs/dbraw/zinc/30/16/07/878301607.db2.gz	WRJJHGKESDBSOU-QFBILLFUSA-N	1	0	351.406	1.995	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@@]2(COC)OCCc3ccccc32)CC1	ZINC000922512184	878423262	/nfs/dbraw/zinc/42/32/62/878423262.db2.gz	NYMCGPRFGMVPRF-NRFANRHFSA-N	1	0	371.481	1.498	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC/C=C\CNC(=O)OC(C)(C)C)CC1	ZINC000922512753	878424668	/nfs/dbraw/zinc/42/46/68/878424668.db2.gz	VUZXAEFNSXTAQO-SREVYHEPSA-N	1	0	350.463	1.464	20	30		FDEDRO
CO[C@@]1(C[NH2+]Cc2cccc(OCCCC#N)c2)CCS(=O)(=O)C1	ZINC000922617014	878793866	/nfs/dbraw/zinc/79/38/66/878793866.db2.gz	WURVLSRUNNZABY-QGZVFWFLSA-N	1	0	352.456	1.662	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cnon3)C[C@H]2CC1	ZINC000946595341	879064953	/nfs/dbraw/zinc/06/49/53/879064953.db2.gz	UIGIFCQKMBXPEF-ATLSCFEFSA-N	1	0	360.458	1.721	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnoc2C(C)C)C[C@H]1C	ZINC001106828719	879229486	/nfs/dbraw/zinc/22/94/86/879229486.db2.gz	GCWAGPNMIYABJF-RBSFLKMASA-N	1	0	362.474	1.786	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)NCc1ccc(C#N)c(F)c1)C2	ZINC000922781215	879258292	/nfs/dbraw/zinc/25/82/92/879258292.db2.gz	INCGSBFEQIWUAJ-FTEYMNFISA-N	1	0	374.460	1.976	20	30		FDEDRO
C#Cc1cccc(CNC(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1	ZINC000922782308	879259626	/nfs/dbraw/zinc/25/96/26/879259626.db2.gz	HGIPLXILULPTDF-XCJLJZCSSA-N	1	0	355.482	1.947	20	30		FDEDRO
C=CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1	ZINC000282386787	879391446	/nfs/dbraw/zinc/39/14/46/879391446.db2.gz	VMGFRQYPNOHQCD-INIZCTEOSA-N	1	0	360.506	1.868	20	30		FDEDRO
C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](CC2CC2)CC1	ZINC000282404327	879562320	/nfs/dbraw/zinc/56/23/20/879562320.db2.gz	WUSVRUHMPHOCDZ-UHFFFAOYSA-N	1	0	367.457	1.643	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CCC[N@H+]2CCC)C1	ZINC000993818792	879757643	/nfs/dbraw/zinc/75/76/43/879757643.db2.gz	POBOFEWLXRAQCV-KSZLIROESA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3ccsc32)C[C@H]1C	ZINC001106834730	879815121	/nfs/dbraw/zinc/81/51/21/879815121.db2.gz	ODBNLVMRZUTLPH-GDBMZVCRSA-N	1	0	369.490	1.948	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CC3CCC(C)(C)CC3)C[C@@H]2O)nn1	ZINC001083843439	879973077	/nfs/dbraw/zinc/97/30/77/879973077.db2.gz	IBANZFLHUABXNS-WBVHZDCISA-N	1	0	361.490	1.455	20	30		FDEDRO
C[C@H](C#N)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2	ZINC001004664013	880030603	/nfs/dbraw/zinc/03/06/03/880030603.db2.gz	LNUNDGMFKXTHLM-WNOSKKOXSA-N	1	0	364.409	1.289	20	30		FDEDRO
CC#CCN1C[C@H]2OCCN(C(=O)Cc3c(C)[nH]c4ccccc43)[C@H]2C1	ZINC001083180621	912528061	/nfs/dbraw/zinc/52/80/61/912528061.db2.gz	RUFOVVJRBASPFF-VQTJNVASSA-N	1	0	351.450	1.954	20	30		FDEDRO
CC(C)[C@H](C(=O)N1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)[C@H](C)C1)[NH+](C)C	ZINC000993908725	880115316	/nfs/dbraw/zinc/11/53/16/880115316.db2.gz	RIIWLFDCRITDMX-CKEIUWERSA-N	1	0	359.474	1.297	20	30		FDEDRO
Cc1cc(NC2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c(C#N)cn1	ZINC001060629957	880287545	/nfs/dbraw/zinc/28/75/45/880287545.db2.gz	QRJOWVNHFXVQMN-AGERRDQYSA-N	1	0	355.486	1.863	20	30		FDEDRO
C[NH+](C)[C@H]1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000272710350	880355304	/nfs/dbraw/zinc/35/53/04/880355304.db2.gz	CMHZOVRAXSRJDY-ROUUACIJSA-N	1	0	369.469	1.789	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nocc2C)C[C@H]1C	ZINC001106840601	880420430	/nfs/dbraw/zinc/42/04/30/880420430.db2.gz	WPKXGULEXMNTOQ-GDBMZVCRSA-N	1	0	362.474	1.705	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C	ZINC000994077362	880610890	/nfs/dbraw/zinc/61/08/90/880610890.db2.gz	ZNJBBRMNOOEMNM-VXNCWWDNSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C	ZINC000994160703	880861488	/nfs/dbraw/zinc/86/14/88/880861488.db2.gz	GAISZKAKERFSJN-NUJGCVRESA-N	1	0	358.486	1.593	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C	ZINC000994166892	880883812	/nfs/dbraw/zinc/88/38/12/880883812.db2.gz	WERSHKBOAHNXLT-IAGOWNOFSA-N	1	0	358.486	1.594	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC000994135903	880894926	/nfs/dbraw/zinc/89/49/26/880894926.db2.gz	GYJBRPZMQQRAPC-QGPMSJSTSA-N	1	0	371.485	1.585	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)[C@H]3CC3(F)F)C[C@H]2C)CC1	ZINC000994136531	880896719	/nfs/dbraw/zinc/89/67/19/880896719.db2.gz	MGWPEWRTDANALU-FVQBIDKESA-N	1	0	367.440	1.198	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3CC)C[C@H]2C)CC1	ZINC000994141369	880913629	/nfs/dbraw/zinc/91/36/29/880913629.db2.gz	UFFPLUUVVKPXPB-PSBWJHGTSA-N	1	0	359.514	1.588	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC000994141700	880915167	/nfs/dbraw/zinc/91/51/67/880915167.db2.gz	YTRYNNKKEFJUFL-IIDMSEBBSA-N	1	0	371.485	1.585	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H](OC)C(F)(F)F)C[C@H]1C	ZINC001106846270	881008026	/nfs/dbraw/zinc/00/80/26/881008026.db2.gz	UHGHMCQSUYPMEZ-MGPQQGTHSA-N	1	0	352.397	1.841	20	30		FDEDRO
COCCCOCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1	ZINC001106851114	881080671	/nfs/dbraw/zinc/08/06/71/881080671.db2.gz	FXCYQMRGWUEHIB-VQIMIIECSA-N	1	0	359.470	1.795	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ncoc2C(C)(C)C)C[C@H]1C	ZINC001106853173	881129485	/nfs/dbraw/zinc/12/94/85/881129485.db2.gz	WUMHOOZQPTXGLD-ZIAGYGMSSA-N	1	0	360.458	1.019	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1C[NH2+]CC#Cc1ccc(Cl)cc1	ZINC001106858520	881139088	/nfs/dbraw/zinc/13/90/88/881139088.db2.gz	KTSACQBZYLNGDT-GDBMZVCRSA-N	1	0	371.872	1.736	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](C(C)C)[NH+](C)C)cn1	ZINC001004741205	881183693	/nfs/dbraw/zinc/18/36/93/881183693.db2.gz	CDXLINSNAODQJX-AKHDSKFASA-N	1	0	368.481	1.511	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@@H]2CC[N@@H+](C)C2)nc1	ZINC001004741726	881184859	/nfs/dbraw/zinc/18/48/59/881184859.db2.gz	IGHFPFDQZATHOH-ISARSNTHSA-N	1	0	366.465	1.266	20	30		FDEDRO
Cc1cc(C)n(-c2nncn2N=Cc2ccc(OCC[NH+](C)C)cc2)n1	ZINC000915956727	881249154	/nfs/dbraw/zinc/24/91/54/881249154.db2.gz	YZTSTPJHIRVUJR-UHFFFAOYSA-N	1	0	353.430	1.903	20	30		FDEDRO
C[NH+](C)CCOc1ccc(C=NNC(=S)NC[C@@H]2CCCO2)cc1	ZINC000915941782	881256267	/nfs/dbraw/zinc/25/62/67/881256267.db2.gz	AUVAQOWUCMALIU-INIZCTEOSA-N	1	0	350.488	1.604	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C(=O)N2CCC(C)CC2)C[C@H]1C(F)(F)F	ZINC001099317375	883367420	/nfs/dbraw/zinc/36/74/20/883367420.db2.gz	AVXLAGIEXGBCLE-ZIAGYGMSSA-N	1	0	361.408	1.800	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1	ZINC000917535910	883526825	/nfs/dbraw/zinc/52/68/25/883526825.db2.gz	KVVJGPHJGWKJKJ-UHFFFAOYSA-N	1	0	371.890	1.725	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCCN(C(=O)C2CCC2)C2CC2)CC1	ZINC000917646758	883617511	/nfs/dbraw/zinc/61/75/11/883617511.db2.gz	FWXXCAXDONLJAG-UHFFFAOYSA-N	1	0	360.502	1.564	20	30		FDEDRO
CCN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)C1	ZINC001033960663	883631536	/nfs/dbraw/zinc/63/15/36/883631536.db2.gz	ZBBXPLBQGRRDEA-JQHSSLGASA-N	1	0	370.453	1.133	20	30		FDEDRO
C#CCNC(=O)c1cccc(-c2noc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)n2)c1	ZINC000923863946	883787341	/nfs/dbraw/zinc/78/73/41/883787341.db2.gz	KPSMRGNBVKNBPB-HZPDHXFCSA-N	1	0	352.394	1.635	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCCCCCC)C[C@@H]1n1ccnn1	ZINC001128929296	884146307	/nfs/dbraw/zinc/14/63/07/884146307.db2.gz	FTAXRBJASRNMSZ-ZIFCJYIRSA-N	1	0	363.506	1.917	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@@H+](CCOCCC(C)C)C[C@@H]1n1ccnn1	ZINC001128939613	884184925	/nfs/dbraw/zinc/18/49/25/884184925.db2.gz	UQFZYLSRPKDBFU-MSOLQXFVSA-N	1	0	361.490	1.486	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2ncc[nH]2)[C@@H](n2ccnn2)C1	ZINC001128945138	884271129	/nfs/dbraw/zinc/27/11/29/884271129.db2.gz	RCHLCUMSCCUJQZ-XHSDSOJGSA-N	1	0	357.462	1.330	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCCN2CCCC2=O)C1	ZINC001034409871	884313996	/nfs/dbraw/zinc/31/39/96/884313996.db2.gz	ZGRWNMNDMLRLCY-KURKYZTESA-N	1	0	363.502	1.561	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@@H]1n1ccnn1	ZINC001128966801	884481531	/nfs/dbraw/zinc/48/15/31/884481531.db2.gz	OIVSJJQXJQDNRA-GJYPPUQNSA-N	1	0	361.490	1.383	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1=O	ZINC001034692450	884818308	/nfs/dbraw/zinc/81/83/08/884818308.db2.gz	UAPFJASFROMPRL-DZDVTFLLSA-N	1	0	373.497	1.214	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@@H]1n1ccnn1	ZINC001128989740	884831239	/nfs/dbraw/zinc/83/12/39/884831239.db2.gz	UBYHVWDEJSXRLW-BBWFWOEESA-N	1	0	361.490	1.484	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1	ZINC000498502357	885057269	/nfs/dbraw/zinc/05/72/69/885057269.db2.gz	ZYZSAGVQCOLFDF-IAOVAPTHSA-N	1	0	360.433	1.965	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2nnc(CC)n2C)C1	ZINC000999540346	912910070	/nfs/dbraw/zinc/91/00/70/912910070.db2.gz	VAZUMRLILKGVHA-GULCKSEBSA-N	1	0	361.490	1.438	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccn(CC(C)C)n2)[C@@H](n2ccnn2)C1	ZINC001129020106	885249367	/nfs/dbraw/zinc/24/93/67/885249367.db2.gz	JYVWTEAQDPGFGL-MSOLQXFVSA-N	1	0	371.489	1.752	20	30		FDEDRO
C[NH+]1CCN(C2CCN(S(=O)(=O)Cc3csc(C#N)c3)CC2)CC1	ZINC000919112381	885325348	/nfs/dbraw/zinc/32/53/48/885325348.db2.gz	ZPIPLVUGGHQFBE-UHFFFAOYSA-N	1	0	368.528	1.161	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@@H]1n1ccnn1	ZINC001129029376	885336380	/nfs/dbraw/zinc/33/63/80/885336380.db2.gz	DCDACKZDOQSNLM-ZACQAIPSSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](OCC)C2CC2)C[C@@H]1n1ccnn1	ZINC001129029512	885339446	/nfs/dbraw/zinc/33/94/46/885339446.db2.gz	GFJFIFMRNZQUMP-SQNIBIBYSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnn3c2CCC3)[C@@H](n2ccnn2)C1	ZINC001129042857	885512982	/nfs/dbraw/zinc/51/29/82/885512982.db2.gz	ABGIIGGHDDTLBD-LESCRADOSA-N	1	0	369.473	1.431	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCCO[C@H]3CCOC3)[C@H](C)C2)nc1	ZINC001106894140	885692066	/nfs/dbraw/zinc/69/20/66/885692066.db2.gz	BTFIEALAMJYWHC-QRQLOZEOSA-N	1	0	371.481	1.556	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccnc(OC)n2)[C@@H](n2ccnn2)C1	ZINC001129098336	885729773	/nfs/dbraw/zinc/72/97/73/885729773.db2.gz	IGAJRWPNOFIRLX-BMFZPTHFSA-N	1	0	371.445	1.087	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)CCc2cccnc2)[C@@H](n2ccnn2)C1	ZINC001129098113	885729910	/nfs/dbraw/zinc/72/99/10/885729910.db2.gz	DWTBYCZEHWQWQB-MSOLQXFVSA-N	1	0	354.458	1.614	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCn2cncn2)CC(C)(C)C1	ZINC001089498865	885751068	/nfs/dbraw/zinc/75/10/68/885751068.db2.gz	VYCBKVPSBZDWHQ-BBWFWOEESA-N	1	0	361.490	1.476	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2nccn2C)[C@@H](n2ccnn2)C1	ZINC001129122198	885767572	/nfs/dbraw/zinc/76/75/72/885767572.db2.gz	GRCJIFRIMWAYIY-BBWFWOEESA-N	1	0	371.489	1.341	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)CC1	ZINC001035230552	885817985	/nfs/dbraw/zinc/81/79/85/885817985.db2.gz	LPVAOKANYYVZHU-ZACQAIPSSA-N	1	0	361.486	1.123	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2c(C)cnn2C)[C@@H](n2ccnn2)C1	ZINC001129159837	885894458	/nfs/dbraw/zinc/89/44/58/885894458.db2.gz	YBPATTVSKIRIAV-XHSDSOJGSA-N	1	0	357.462	1.330	20	30		FDEDRO
C=C(Br)CN1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001035372175	885934394	/nfs/dbraw/zinc/93/43/94/885934394.db2.gz	LMQRAJZWRIHRQL-HZSPNIEDSA-N	1	0	360.296	1.052	20	30		FDEDRO
C[C@H](Nc1ccncc1C#N)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001061890420	886228007	/nfs/dbraw/zinc/22/80/07/886228007.db2.gz	ZSJOGBIVKUDQLI-HDMKZQKVSA-N	1	0	355.486	1.754	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)C2(c3cc(C)no3)CC2)[C@@H](n2ccnn2)C1	ZINC001129199041	886261266	/nfs/dbraw/zinc/26/12/66/886261266.db2.gz	BTGQJVHIPKYAOR-CVEARBPZSA-N	1	0	370.457	1.614	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cccnc2OC)[C@@H](n2ccnn2)C1	ZINC001129219575	886600930	/nfs/dbraw/zinc/60/09/30/886600930.db2.gz	GAWFXLOPLWXYSP-OIISXLGYSA-N	1	0	370.457	1.692	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CCCc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129223930	886641398	/nfs/dbraw/zinc/64/13/98/886641398.db2.gz	PAGIBPATWUPLNE-MOPGFXCFSA-N	1	0	351.454	1.666	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C)cc2OC)C[C@H]1C	ZINC001106898277	886657059	/nfs/dbraw/zinc/65/70/59/886657059.db2.gz	BNBHQESIVSZKOG-IXDOHACOSA-N	1	0	371.481	1.439	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccn(C)c2C)[C@@H](n2ccnn2)C1	ZINC001129233419	886715128	/nfs/dbraw/zinc/71/51/28/886715128.db2.gz	OHZLGSBXYBIOQP-OLMNPRSZSA-N	1	0	356.474	1.935	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1C[C@H](C)N(c2ccccc2)C1=O)C1CC[NH+](C)CC1	ZINC000920616889	887097520	/nfs/dbraw/zinc/09/75/20/887097520.db2.gz	ZQFYYTWRSKFSRS-LPHOPBHVSA-N	1	0	368.481	1.919	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3c2ncc(C#N)cc2F)CC[N@@H+]1C	ZINC001062601382	887145209	/nfs/dbraw/zinc/14/52/09/887145209.db2.gz	VXMYMUKJSZBCFO-QBYUYEEZSA-N	1	0	357.433	1.612	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)nc1	ZINC000370186798	887158251	/nfs/dbraw/zinc/15/82/51/887158251.db2.gz	UWWOGUNMJBRKTO-BEFAXECRSA-N	1	0	368.485	2.226	20	30		FDEDRO
CCN(CC)C(=O)CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000920813879	887252660	/nfs/dbraw/zinc/25/26/60/887252660.db2.gz	UCNBIURTMRMKKK-UHFFFAOYSA-N	1	0	359.474	1.500	20	30		FDEDRO
C[C@@]1(CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CCC[NH2+]C1	ZINC000415432488	887260217	/nfs/dbraw/zinc/26/02/17/887260217.db2.gz	FTUHFNPWWJWDGD-GOSISDBHSA-N	1	0	356.405	2.394	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)Nc1ccn(CCC#N)n1	ZINC000470427914	887265584	/nfs/dbraw/zinc/26/55/84/887265584.db2.gz	KPXAZUNFUYAEAO-UHFFFAOYSA-N	1	0	355.402	1.601	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O	ZINC000922953432	887329412	/nfs/dbraw/zinc/32/94/12/887329412.db2.gz	BKAPHMIBNHSEDT-BIHUAPLPSA-N	1	0	351.491	1.356	20	30		FDEDRO
CC#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC2(CCOCC2)C1	ZINC001089943701	913144297	/nfs/dbraw/zinc/14/42/97/913144297.db2.gz	SWSXKHPIZPGJGA-BRWVUGGUSA-N	1	0	356.470	1.524	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C[NH+](CC)CC)cc1	ZINC000921079132	887428152	/nfs/dbraw/zinc/42/81/52/887428152.db2.gz	TYXKABXJMWKXQZ-AWEZNQCLSA-N	1	0	351.472	1.058	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)n1	ZINC000415436443	887611581	/nfs/dbraw/zinc/61/15/81/887611581.db2.gz	JPSIXBHAFQCYTL-OLZOCXBDSA-N	1	0	356.405	2.522	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1	ZINC000921350787	887766980	/nfs/dbraw/zinc/76/69/80/887766980.db2.gz	MGWCJHMMDIVQGB-KRWDZBQOSA-N	1	0	374.872	1.842	20	30		FDEDRO
Cc1cc(NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)nn1-c1cc(C)cc(C)c1	ZINC000329493303	887936163	/nfs/dbraw/zinc/93/61/63/887936163.db2.gz	WOGOMOXGMJTIJD-GOSISDBHSA-N	1	0	370.501	2.369	20	30		FDEDRO
C=C(C)COCCNC(=O)N[C@@H]1C[C@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O	ZINC000921480434	888053802	/nfs/dbraw/zinc/05/38/02/888053802.db2.gz	JHTMUULRINPXBK-VXIBKDFQSA-N	1	0	353.507	1.748	20	30		FDEDRO
COCC1(CC(=O)N[C@@H]2CN(Cc3ccc(C#N)s3)C[C@H]2OC)CC1	ZINC001212260695	888103008	/nfs/dbraw/zinc/10/30/08/888103008.db2.gz	FZPRGJGMWIQRCB-HZPDHXFCSA-N	1	0	363.483	1.752	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(CCOc3cccc(OC)c3)C[C@@H]2O)C1	ZINC001083762915	888124167	/nfs/dbraw/zinc/12/41/67/888124167.db2.gz	SQILTNMDGDSGDY-MSOLQXFVSA-N	1	0	360.454	1.592	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@@H](n2ccnn2)C1	ZINC001129279714	888136681	/nfs/dbraw/zinc/13/66/81/888136681.db2.gz	JXEOWMYGYSEDRS-XWIAVFTESA-N	1	0	369.473	1.889	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(Cl)cn2)C[C@H]1C	ZINC001106901523	888141342	/nfs/dbraw/zinc/14/13/42/888141342.db2.gz	KIBXWHPPNUJMTD-HZSPNIEDSA-N	1	0	362.861	1.171	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ncccc2Cl)C[C@H]1C	ZINC001106901938	888147371	/nfs/dbraw/zinc/14/73/71/888147371.db2.gz	VBMVXKNCYKLHAB-MGPQQGTHSA-N	1	0	362.861	1.171	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cn(C(C)(C)C)nc2C)[C@H](OC)C1	ZINC001212264335	888227824	/nfs/dbraw/zinc/22/78/24/888227824.db2.gz	GKWPIJZQTPLDMQ-IAGOWNOFSA-N	1	0	364.490	1.578	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C2CC2)C[C@H]1OC	ZINC001212264693	888247212	/nfs/dbraw/zinc/24/72/12/888247212.db2.gz	OFQINBCSWAGKHZ-CDHQVMDDSA-N	1	0	356.466	1.918	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCOC2CCCCCC2)C[C@H]1OC	ZINC001212264747	888261648	/nfs/dbraw/zinc/26/16/48/888261648.db2.gz	QQKMRRUYHWJZBH-QXAKKESOSA-N	1	0	366.502	1.580	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1OC	ZINC001212267907	888520516	/nfs/dbraw/zinc/52/05/16/888520516.db2.gz	HQUDOYDCKOFENE-IPMKNSEASA-N	1	0	368.518	1.991	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2cccc(C(N)=O)c2)CC1	ZINC001006015003	888745861	/nfs/dbraw/zinc/74/58/61/888745861.db2.gz	ABQPRZMFRCRMLX-MOPGFXCFSA-N	1	0	371.481	1.799	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1	ZINC000938597496	888880866	/nfs/dbraw/zinc/88/08/66/888880866.db2.gz	PWVKHFHGBOJOOR-ULQDDVLXSA-N	1	0	361.486	1.123	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@H]([NH2+]CCO)C1	ZINC000923404393	889150437	/nfs/dbraw/zinc/15/04/37/889150437.db2.gz	JKYVRMRYTHYJAT-CVEARBPZSA-N	1	0	351.516	1.698	20	30		FDEDRO
C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1	ZINC001089709232	889275277	/nfs/dbraw/zinc/27/52/77/889275277.db2.gz	QBVXZDBWCBPZND-KZNAEPCWSA-N	1	0	358.486	1.528	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000938862952	889442659	/nfs/dbraw/zinc/44/26/59/889442659.db2.gz	JHAMQBAKFUTNHK-UAGQMJEPSA-N	1	0	354.410	1.256	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N[C@@H]1C[C@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O	ZINC000923488988	889464307	/nfs/dbraw/zinc/46/43/07/889464307.db2.gz	VPSWGKWSNJEMIW-YFYQMDMQSA-N	1	0	365.518	1.584	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1	ZINC000938861649	889470581	/nfs/dbraw/zinc/47/05/81/889470581.db2.gz	XFLFKPOSNJXBBS-BBWFWOEESA-N	1	0	363.502	1.559	20	30		FDEDRO
CCc1nc(C#N)cc(N(CC)[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1	ZINC001089764032	889546470	/nfs/dbraw/zinc/54/64/70/889546470.db2.gz	SXEQBWCSABZLBL-IIAWOOMASA-N	1	0	358.490	1.582	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000938946204	889650690	/nfs/dbraw/zinc/65/06/90/889650690.db2.gz	QCUHAJMZIWCCEQ-JQHSSLGASA-N	1	0	368.437	1.598	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCN(c2ccccc2)C1=O	ZINC001127608680	889724084	/nfs/dbraw/zinc/72/40/84/889724084.db2.gz	CHOQWLPWZGIGJZ-KURKYZTESA-N	1	0	357.454	1.479	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)CN(Cc1ccccc1)[C@@H]1C[NH2+]C[C@H]1O	ZINC000923560019	889796823	/nfs/dbraw/zinc/79/68/23/889796823.db2.gz	XMMYHKZBFHNERA-XUVXKRRUSA-N	1	0	367.449	1.133	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(CC)c1ccccc1	ZINC001127612757	889904253	/nfs/dbraw/zinc/90/42/53/889904253.db2.gz	CJHCLDCHDSCFKD-MSOLQXFVSA-N	1	0	359.470	1.727	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NCC1CCCCC1	ZINC001127613174	889943213	/nfs/dbraw/zinc/94/32/13/889943213.db2.gz	SVOIOOGFVOZLFS-JQHSSLGASA-N	1	0	365.518	1.758	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)COc2cccc(N3CCCC3=O)c2)C1	ZINC000923590783	890000711	/nfs/dbraw/zinc/00/07/11/890000711.db2.gz	CQBBUISQAAFCRU-MRXNPFEDSA-N	1	0	355.438	1.406	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1OC	ZINC001212321225	890114851	/nfs/dbraw/zinc/11/48/51/890114851.db2.gz	XHBQGEJPNIFBAY-GUDVDZBRSA-N	1	0	366.502	1.766	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)OC2CCCC2)[C@@H](n2ccnn2)C1	ZINC001129293870	890138933	/nfs/dbraw/zinc/13/89/33/890138933.db2.gz	LTOZECPTTZKYRO-FGTMMUONSA-N	1	0	361.490	1.934	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCC1	ZINC001063152555	890255940	/nfs/dbraw/zinc/25/59/40/890255940.db2.gz	FXWBGKQOVXXHFT-IKGGRYGDSA-N	1	0	361.486	1.074	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2COc3ccccc3O2)[C@H](OC)C1	ZINC001212334686	890265240	/nfs/dbraw/zinc/26/52/40/890265240.db2.gz	DIODAMIKXKUBCC-GPMSIDNRSA-N	1	0	360.454	1.998	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)c3ccc(C#N)[nH]3)CCC2)CC[N@@H+]1C	ZINC001063227069	890349604	/nfs/dbraw/zinc/34/96/04/890349604.db2.gz	AKLWEEGIKDUHMT-GOEBONIOSA-N	1	0	357.458	1.385	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)NC1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCC1	ZINC001063227506	890353225	/nfs/dbraw/zinc/35/32/25/890353225.db2.gz	SNUBGYCZPXSCEQ-HDMKZQKVSA-N	1	0	351.491	1.199	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNC(=O)CC[NH+]2CCCCC2)CCC1	ZINC001063342050	890467518	/nfs/dbraw/zinc/46/75/18/890467518.db2.gz	DSYQYVIITWECTN-SJORKVTESA-N	1	0	363.502	1.609	20	30		FDEDRO
C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(C#N)[nH]2)C3)CC1	ZINC001002090123	891913205	/nfs/dbraw/zinc/91/32/05/891913205.db2.gz	KANVRPHFBYOMGE-OIISXLGYSA-N	1	0	355.442	1.090	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c[nH]c(C#N)c2)C3)C1	ZINC001002142894	891981231	/nfs/dbraw/zinc/98/12/31/891981231.db2.gz	MNMRGUJSWUVDPS-DXEWXGHRSA-N	1	0	355.442	1.090	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1	ZINC000940287580	892157303	/nfs/dbraw/zinc/15/73/03/892157303.db2.gz	JUIXBRQDOYEKDQ-FUHIMQAGSA-N	1	0	367.493	1.658	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C1	ZINC001002220085	892252097	/nfs/dbraw/zinc/25/20/97/892252097.db2.gz	VMMHFMRDTKOOEJ-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)COc2ccccc2)C[C@H]1C	ZINC001106917589	892286750	/nfs/dbraw/zinc/28/67/50/892286750.db2.gz	JPZRLMOGZKBXMV-IXDOHACOSA-N	1	0	359.470	1.440	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC000940683521	892907760	/nfs/dbraw/zinc/90/77/60/892907760.db2.gz	FDMWMNUOEVNLKT-IKGGRYGDSA-N	1	0	361.486	1.171	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2ccc3c[nH]nc3c2)C[C@H]1C	ZINC001106933670	893047612	/nfs/dbraw/zinc/04/76/12/893047612.db2.gz	CXUJLXAATPNDRD-CRAIPNDOSA-N	1	0	356.470	1.992	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2ccc3c[nH]nc3c2)C[C@H]1C	ZINC001106933675	893048340	/nfs/dbraw/zinc/04/83/40/893048340.db2.gz	CZNPNLGEICVRDE-CRAIPNDOSA-N	1	0	354.454	1.439	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN(C(C)=O)CCO2)C[C@H]1C	ZINC001106937813	893092493	/nfs/dbraw/zinc/09/24/93/893092493.db2.gz	GDUJNMUABJWQTE-BHIYHBOVSA-N	1	0	367.534	1.888	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2CCC(C3CC3)CC2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106935263	893135019	/nfs/dbraw/zinc/13/50/19/893135019.db2.gz	KMCRIBPHZBOWSB-AGERRDQYSA-N	1	0	360.502	1.527	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN(C(C)=O)CCO2)C[C@H]1C	ZINC001106935789	893145943	/nfs/dbraw/zinc/14/59/43/893145943.db2.gz	ZKGJCJOXBKRNFQ-QRQLOZEOSA-N	1	0	365.518	1.664	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C3CC3)cn2)C[C@H]1C	ZINC001106935777	893146270	/nfs/dbraw/zinc/14/62/70/893146270.db2.gz	YZUOOHYQLBDAKO-RHSMWYFYSA-N	1	0	354.454	1.006	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccccc2F)C[C@H]1C	ZINC001106942363	893288201	/nfs/dbraw/zinc/28/82/01/893288201.db2.gz	GCYXZWVKXSHAHD-BFYDXBDKSA-N	1	0	359.445	1.190	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2CN(C)C(=O)[C@@H]2C[C@H]2CC)CC1	ZINC001002595890	893342865	/nfs/dbraw/zinc/34/28/65/893342865.db2.gz	XNHCXBZRCBDTFT-BHIYHBOVSA-N	1	0	359.514	1.827	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1	ZINC001002648322	893452784	/nfs/dbraw/zinc/45/27/84/893452784.db2.gz	LKVNCFPHCNBASY-KURKYZTESA-N	1	0	363.502	1.369	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)C2)CC1	ZINC000940961737	893534754	/nfs/dbraw/zinc/53/47/54/893534754.db2.gz	AZTIDDGMFSZUEB-ZGXWSNOMSA-N	1	0	371.525	1.875	20	30		FDEDRO
COc1ccc(CN2CC[C@@H]3CN(C(=O)[C@@H]4CCC[N@@H+]4C)[C@@H]3C2)cc1C#N	ZINC001084231988	913780846	/nfs/dbraw/zinc/78/08/46/913780846.db2.gz	QVIOJXBTYUVVMU-NZSAHSFTSA-N	1	0	368.481	1.694	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2cn3c(n2)COCC3)[C@H](OC)C1	ZINC001212459074	893743469	/nfs/dbraw/zinc/74/34/69/893743469.db2.gz	VUAVUPCPSNWRQT-NVXWUHKLSA-N	1	0	362.474	1.589	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC[C@H]2CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1	ZINC001002745288	893778467	/nfs/dbraw/zinc/77/84/67/893778467.db2.gz	ORKCUFRAURFLNZ-AYOQOUSVSA-N	1	0	368.481	1.466	20	30		FDEDRO
CCOC(=O)CNC(=O)C1CC[NH+](CCCC2(C#N)CCOCC2)CC1	ZINC000499563738	893969409	/nfs/dbraw/zinc/96/94/09/893969409.db2.gz	MYVBQKABAFYYEQ-UHFFFAOYSA-N	1	0	365.474	1.478	20	30		FDEDRO
C=CCOc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000995129328	894108208	/nfs/dbraw/zinc/10/82/08/894108208.db2.gz	XQBUBEKRYUPHRU-RDTXWAMCSA-N	1	0	357.454	1.532	20	30		FDEDRO
N#Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](C[C@@H](O)C4CCCCC4)C[C@H]32)c[nH]1	ZINC001084293390	913839206	/nfs/dbraw/zinc/83/92/06/913839206.db2.gz	DSVYZUBGKSNLHF-ATZDWAIDSA-N	1	0	356.470	1.974	20	30		FDEDRO
N#Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](C[C@@H](O)Cc4ccccc4)C[C@H]32)c[nH]1	ZINC001084293452	913842342	/nfs/dbraw/zinc/84/23/42/913842342.db2.gz	ICOFTNAWIKKMRS-LSTHTHJFSA-N	1	0	364.449	1.636	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC000941202741	894195118	/nfs/dbraw/zinc/19/51/18/894195118.db2.gz	OYMQHRIVDLKCAD-BDXSIMOUSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1	ZINC000941202530	894195207	/nfs/dbraw/zinc/19/52/07/894195207.db2.gz	BXJOXOHHYGRUBI-IRXDYDNUSA-N	1	0	361.486	1.124	20	30		FDEDRO
C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1nc(Cl)c(C#N)s1	ZINC000888418110	894207601	/nfs/dbraw/zinc/20/76/01/894207601.db2.gz	YNLDRUQWNINFDO-JTQLQIEISA-N	1	0	356.883	1.816	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1	ZINC000941211610	894258745	/nfs/dbraw/zinc/25/87/45/894258745.db2.gz	TWVVTLROJRKMNL-KURKYZTESA-N	1	0	363.502	1.513	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)nc1	ZINC000941216338	894295279	/nfs/dbraw/zinc/29/52/79/894295279.db2.gz	PUUCPCBAIFEYCU-NVXWUHKLSA-N	1	0	354.454	1.078	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cc1	ZINC000941220414	894356089	/nfs/dbraw/zinc/35/60/89/894356089.db2.gz	QTFSVIUGUONQIH-VQIMIIECSA-N	1	0	353.466	1.683	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccnc1C(F)(F)F	ZINC000922023593	894427370	/nfs/dbraw/zinc/42/73/70/894427370.db2.gz	WQALYCCRBGFWQP-UHFFFAOYSA-N	1	0	361.389	1.819	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C)c(C(=O)OC)c1	ZINC000922024786	894518085	/nfs/dbraw/zinc/51/80/85/894518085.db2.gz	SPOHPHFLARDMNX-UHFFFAOYSA-N	1	0	364.467	1.500	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)C[C@H](Cc1ccccc1)OC	ZINC000922026249	894540681	/nfs/dbraw/zinc/54/06/81/894540681.db2.gz	SKACDPKBWWMXLT-IBGZPJMESA-N	1	0	364.511	1.603	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(C2C[NH+](CC3CC(C)C3)C2)CC1	ZINC000941412285	894934047	/nfs/dbraw/zinc/93/40/47/894934047.db2.gz	CBECZNBUJBSSPY-TZJYRCSTSA-N	1	0	361.530	1.842	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1	ZINC000941474544	895061929	/nfs/dbraw/zinc/06/19/29/895061929.db2.gz	UKRBHCJBAIJOHI-KURKYZTESA-N	1	0	363.502	1.513	20	30		FDEDRO
C=C(C)CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3cccnc3)CC2)C1	ZINC000941579938	895333566	/nfs/dbraw/zinc/33/35/66/895333566.db2.gz	KFNVSFAFXKXJCL-VQTJNVASSA-N	1	0	354.498	1.980	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1	ZINC000941644903	895472655	/nfs/dbraw/zinc/47/26/55/895472655.db2.gz	CUWCVRVBQYGNPP-IKGGRYGDSA-N	1	0	361.486	1.313	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1	ZINC000941864480	895881993	/nfs/dbraw/zinc/88/19/93/895881993.db2.gz	CNIOTSXXOBCCBA-ZIAGYGMSSA-N	1	0	357.882	1.203	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2sc(C)nc2C)C[C@H]1C	ZINC001106962314	895986021	/nfs/dbraw/zinc/98/60/21/895986021.db2.gz	FIHVSHKTRPNZKJ-UXIGCNINSA-N	1	0	364.515	1.748	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](OC)C1	ZINC000942002389	896126693	/nfs/dbraw/zinc/12/66/93/896126693.db2.gz	OFLHOUZIJOTUBG-KLHDSHLOSA-N	1	0	351.491	1.271	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](OC)C1	ZINC000942003915	896128770	/nfs/dbraw/zinc/12/87/70/896128770.db2.gz	MJUVEJLPYFURBG-NMFUWQPSSA-N	1	0	371.909	1.447	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C2CCN(C(C)=O)CC2)C[C@H]1C	ZINC001106966655	896414111	/nfs/dbraw/zinc/41/41/11/896414111.db2.gz	CRDBRTMHFGZPQX-CRAIPNDOSA-N	1	0	351.491	1.132	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(OC)ccc2OC)C[C@H]1C	ZINC001106966846	896474441	/nfs/dbraw/zinc/47/44/41/896474441.db2.gz	LANVDCRNOPWXNO-HZPDHXFCSA-N	1	0	360.454	1.651	20	30		FDEDRO
CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)C[C@H]1CCC[N@@H+]1C(C)C	ZINC000942145844	896481186	/nfs/dbraw/zinc/48/11/86/896481186.db2.gz	RLKORJRVXCHYED-KZNAEPCWSA-N	1	0	361.486	1.005	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3OCC[C@H]3C(C)C)nn2)C1	ZINC000999988911	896523767	/nfs/dbraw/zinc/52/37/67/896523767.db2.gz	YYNBWAHOIODNMJ-SQNIBIBYSA-N	1	0	361.490	1.778	20	30		FDEDRO
COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3ccnc(C)c3)C2)cc1C#N	ZINC001077864836	896577223	/nfs/dbraw/zinc/57/72/23/896577223.db2.gz	KFHRYOBUJRXWGO-QZTJIDSGSA-N	1	0	366.421	1.245	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@]2(C3CCCC3)CCNC2=O)[C@H](OC)C1	ZINC001212426336	896752514	/nfs/dbraw/zinc/75/25/14/896752514.db2.gz	WVIHLQNFSFMRBV-HLIPFELVSA-N	1	0	363.502	1.465	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)n2)C[C@H]1C	ZINC001106969079	896871267	/nfs/dbraw/zinc/87/12/67/896871267.db2.gz	JBUBGPZRNKDXSZ-IAGOWNOFSA-N	1	0	367.453	1.215	20	30		FDEDRO
N#Cc1ccc(Br)c(C[NH2+]CCCN2CCCS2(=O)=O)c1	ZINC000921692530	896900340	/nfs/dbraw/zinc/90/03/40/896900340.db2.gz	XQDGFXIVPLYRKS-UHFFFAOYSA-N	1	0	372.288	1.836	20	30		FDEDRO
C#CC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)n1	ZINC001128112527	897177216	/nfs/dbraw/zinc/17/72/16/897177216.db2.gz	LLEFUSKVIGYFDO-GGPKGHCWSA-N	1	0	368.481	1.314	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCC3)C[C@H]1C	ZINC001106972806	897239003	/nfs/dbraw/zinc/23/90/03/897239003.db2.gz	LYZPJMGEGFDZDS-OXQOHEQNSA-N	1	0	367.493	1.151	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC2(CCOCC2)C1	ZINC001089959997	897330313	/nfs/dbraw/zinc/33/03/13/897330313.db2.gz	WEZVSXFUUDSMPO-IKGGRYGDSA-N	1	0	363.502	1.451	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2scnc2Cl)C[C@H]1C	ZINC001106988680	897719769	/nfs/dbraw/zinc/71/97/69/897719769.db2.gz	LBPBAQNGDDMJTC-GHMZBOCLSA-N	1	0	356.879	1.396	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1O	ZINC001078082712	897910368	/nfs/dbraw/zinc/91/03/68/897910368.db2.gz	SUBWMZGGAZGGKK-NHCUHLMSSA-N	1	0	359.429	1.444	20	30		FDEDRO
COC(=O)[C@]12C[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C[C@H]1COCC2	ZINC000369548423	897949537	/nfs/dbraw/zinc/94/95/37/897949537.db2.gz	FMTUFRIXCBEJJF-RIFZZMRRSA-N	1	0	369.421	1.175	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1O	ZINC001078228665	898438453	/nfs/dbraw/zinc/43/84/53/898438453.db2.gz	ZKMNFPSLQFUAPK-CEXWTWQISA-N	1	0	356.470	1.094	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000943168353	898462529	/nfs/dbraw/zinc/46/25/29/898462529.db2.gz	ZPMCNLBOAJNRCJ-VNQPRFMTSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccn2c[nH+]cc2c1	ZINC001077579426	898621526	/nfs/dbraw/zinc/62/15/26/898621526.db2.gz	ZJASBVMIAVJXHR-WBAXXEDZSA-N	1	0	370.453	1.940	20	30		FDEDRO
C#Cc1cncc(C(=O)NCC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)c1	ZINC001078290077	898661735	/nfs/dbraw/zinc/66/17/35/898661735.db2.gz	OSWYFEQOVYYMSB-JCGIZDLHSA-N	1	0	356.470	1.418	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cnn(C)c2)C1	ZINC001078485978	898841842	/nfs/dbraw/zinc/84/18/42/898841842.db2.gz	LIIAKLPUPGREQZ-SQNIBIBYSA-N	1	0	362.474	1.108	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(C)nc3cc(C)nn32)C[C@H]1C	ZINC001107000118	898916637	/nfs/dbraw/zinc/91/66/37/898916637.db2.gz	FYEMTOQXVURBEI-RHSMWYFYSA-N	1	0	369.469	1.294	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2nc(C)c(C)s2)C[C@H]1C	ZINC001107000461	898970005	/nfs/dbraw/zinc/97/00/05/898970005.db2.gz	XJAGIMAKBFIURX-UXIGCNINSA-N	1	0	362.499	1.196	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1	ZINC000921836905	898992976	/nfs/dbraw/zinc/99/29/76/898992976.db2.gz	JEHBQTFAZMERTE-LZQZEXGQSA-N	1	0	357.454	1.656	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2ccnc2)[C@H](OC)C1	ZINC001212441985	899033383	/nfs/dbraw/zinc/03/33/83/899033383.db2.gz	BLEHBFRKYRXHGM-KZNAEPCWSA-N	1	0	364.490	1.488	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(CC)CC)C[C@H]1C	ZINC001107004128	899171377	/nfs/dbraw/zinc/17/13/77/899171377.db2.gz	GWFDWLXSLVNQFA-HUUCEWRRSA-N	1	0	366.506	1.509	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C3)cn1	ZINC001001700595	899207430	/nfs/dbraw/zinc/20/74/30/899207430.db2.gz	ULJVIKINUPDPOR-BDXSIMOUSA-N	1	0	352.438	1.019	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1	ZINC000943705724	899255792	/nfs/dbraw/zinc/25/57/92/899255792.db2.gz	MBADBBUQIISKBT-TXTZMMAHSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1	ZINC000943733733	899285375	/nfs/dbraw/zinc/28/53/75/899285375.db2.gz	VNPBYIHIMUMTGH-DZVNLGKHSA-N	1	0	363.502	1.605	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC001001830072	899480716	/nfs/dbraw/zinc/48/07/16/899480716.db2.gz	NDXDENAZGZDRCG-RBUKOAKNSA-N	1	0	368.481	1.611	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2sccc2C(C)C)C[C@H]1C	ZINC001107023093	899616800	/nfs/dbraw/zinc/61/68/00/899616800.db2.gz	FQVPQBQQFTXSPU-HUUCEWRRSA-N	1	0	361.511	1.919	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CCn2cc(Cl)cn2)C[C@H]1C	ZINC001107025373	899625327	/nfs/dbraw/zinc/62/53/27/899625327.db2.gz	QUDANHHXPTUCBW-HUUCEWRRSA-N	1	0	354.882	1.813	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)N2CCCCC2=O)C[C@H]1C	ZINC001107026425	899629022	/nfs/dbraw/zinc/62/90/22/899629022.db2.gz	PDWHTZMXOZUPTJ-BRWVUGGUSA-N	1	0	351.491	1.274	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]nc3ccccc32)C[C@H]1C	ZINC001107028337	899636286	/nfs/dbraw/zinc/63/62/86/899636286.db2.gz	ZAESPRHOIXYBAH-HZPDHXFCSA-N	1	0	354.454	1.439	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CCCN2C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)c1	ZINC000944051263	899768715	/nfs/dbraw/zinc/76/87/15/899768715.db2.gz	DGGBGHDEWSRWLH-CEXWTWQISA-N	1	0	368.481	1.514	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1	ZINC000944049067	899792823	/nfs/dbraw/zinc/79/28/23/899792823.db2.gz	ODDFLEMRZBFAGR-SQNIBIBYSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1	ZINC000944086633	899831708	/nfs/dbraw/zinc/83/17/08/899831708.db2.gz	NOGMPRYAHYJJAH-AOIWGVFYSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1	ZINC000944108339	899870049	/nfs/dbraw/zinc/87/00/49/899870049.db2.gz	GNMAIYSTUCTLRV-SQNIBIBYSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCN2C(=O)[C@@H]2C[C@H]2CCC)CC1	ZINC000944273605	900046535	/nfs/dbraw/zinc/04/65/35/900046535.db2.gz	JGSGCGSJTMTFQR-GUDVDZBRSA-N	1	0	359.514	1.875	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)C2CC2)C[C@H]1C	ZINC001107043796	900066675	/nfs/dbraw/zinc/06/66/75/900066675.db2.gz	WDAMOCCBIHHAQD-SQWLQELKSA-N	1	0	364.490	1.119	20	30		FDEDRO
CCOCCOCC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1	ZINC001107044413	900082912	/nfs/dbraw/zinc/08/29/12/900082912.db2.gz	AGZUPTYBYVQKDW-UYAOXDASSA-N	1	0	358.482	1.775	20	30		FDEDRO
Cc1nc2c(cccc2C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)o1	ZINC001107052065	900146029	/nfs/dbraw/zinc/14/60/29/900146029.db2.gz	XKANIVLXEYYJRR-TZMCWYRMSA-N	1	0	369.425	1.074	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CC(F)F)[C@H](C)C1	ZINC001107059160	900311223	/nfs/dbraw/zinc/31/12/23/900311223.db2.gz	VPFFQSYWMAPAMN-ZIAGYGMSSA-N	1	0	371.432	1.320	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC(C)CC2)[C@H](C)C1	ZINC001107062732	900376822	/nfs/dbraw/zinc/37/68/22/900376822.db2.gz	QYCXKTZMDLGJJD-KZNAEPCWSA-N	1	0	365.518	1.520	20	30		FDEDRO
C=C1CC(C)(C(=O)N2CCO[C@H](CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1	ZINC000944618731	900381823	/nfs/dbraw/zinc/38/18/23/900381823.db2.gz	OXRGKCSOVCWVTB-IXDOHACOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cn(C(C)(C)C)nn2)[C@H](C)C1	ZINC001107063110	900448024	/nfs/dbraw/zinc/44/80/24/900448024.db2.gz	BVGHUHCJHFMGFS-BZUAXINKSA-N	1	0	363.506	1.808	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(C)(C)C)[C@H](C)C1	ZINC001107064901	900451989	/nfs/dbraw/zinc/45/19/89/900451989.db2.gz	BUFUJJBMMWIGIE-HZPDHXFCSA-N	1	0	353.507	1.426	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC=C)CC=C)[C@H](C)C1	ZINC001107065194	900454878	/nfs/dbraw/zinc/45/48/78/900454878.db2.gz	JNWCIIICMRUYIV-FGTMMUONSA-N	1	0	363.502	1.462	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)C2CC2)[C@H](C)C1	ZINC001107065366	900455053	/nfs/dbraw/zinc/45/50/53/900455053.db2.gz	KXYRGPNKWDMNCF-HZPDHXFCSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)N2CCCC2=O)C[C@H]1C	ZINC001107072496	900506994	/nfs/dbraw/zinc/50/69/94/900506994.db2.gz	RQMUVUDAORAOSD-ZHALLVOQSA-N	1	0	365.518	1.520	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2ccnc(-n3cncn3)c2)C[C@H]1C	ZINC001107078201	900542893	/nfs/dbraw/zinc/54/28/93/900542893.db2.gz	CXSDCSKJHZYDNX-IUODEOHRSA-N	1	0	360.849	1.713	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccccn2)C3)CC1	ZINC000995617979	900755496	/nfs/dbraw/zinc/75/54/96/900755496.db2.gz	OSPTYJFJZUJMBJ-NEWSRXKRSA-N	1	0	366.465	1.289	20	30		FDEDRO
CCc1nc(C#N)cc(NC[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1	ZINC001063575932	900993996	/nfs/dbraw/zinc/99/39/96/900993996.db2.gz	UVKIWJCDVQMVEV-FVQBIDKESA-N	1	0	356.474	1.654	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CC/C=C\CC)C[C@@H]2n2ccnn2)nn1	ZINC001129307438	901049670	/nfs/dbraw/zinc/04/96/70/901049670.db2.gz	AUHAFUHFPBXIJW-FHYYHZITSA-N	1	0	370.461	1.067	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1(CNC(=O)C23CC[NH+](CC2)C3)CCC1	ZINC001063730892	901093381	/nfs/dbraw/zinc/09/33/81/901093381.db2.gz	CFOPZLMOXZRQOH-CVEARBPZSA-N	1	0	361.486	1.219	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)CC[NH+](C)C)CC1	ZINC001079084471	901095207	/nfs/dbraw/zinc/09/52/07/901095207.db2.gz	NMKDGGLXKBLWMN-BBWFWOEESA-N	1	0	351.491	1.369	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)CC1	ZINC001079084042	901104919	/nfs/dbraw/zinc/10/49/19/901104919.db2.gz	CHGFMTKBHZXKAL-KURKYZTESA-N	1	0	365.518	1.757	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)CC1	ZINC000945061776	901254122	/nfs/dbraw/zinc/25/41/22/901254122.db2.gz	NVJXHNWXCKAZIB-SJORKVTESA-N	1	0	361.486	1.124	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2Cc3cccc(C)c3O2)C[C@H]1C	ZINC001107105238	901280773	/nfs/dbraw/zinc/28/07/73/901280773.db2.gz	GTAFQTDYVAOFNB-KBAYOESNSA-N	1	0	371.481	1.285	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2Cc3cccc(C)c3O2)C[C@H]1C	ZINC001107105239	901281073	/nfs/dbraw/zinc/28/10/73/901281073.db2.gz	GTAFQTDYVAOFNB-NXHRZFHOSA-N	1	0	371.481	1.285	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2nc(CC)oc2C)[C@@H](n2ccnn2)C1	ZINC001129315993	901300613	/nfs/dbraw/zinc/30/06/13/901300613.db2.gz	IKNFGMKFSWTASK-CABCVRRESA-N	1	0	358.446	1.758	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CCN(c4ccnc(C#N)n4)C3)C2)CC[N@@H+]1C	ZINC001064649589	901517429	/nfs/dbraw/zinc/51/74/29/901517429.db2.gz	DQNZCMDPGCHHMG-YRNRMSPPSA-N	1	0	368.485	1.507	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CCN(c4ncc(C#N)cc4F)C3)C2)CC[N@@H+]1C	ZINC001064650268	901519599	/nfs/dbraw/zinc/51/95/99/901519599.db2.gz	SRRIOETVFZARJM-AKCHCHLHSA-N	1	0	371.460	1.861	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cccn3ccnc23)[C@@H](n2ccnn2)C1	ZINC001129317358	901539000	/nfs/dbraw/zinc/53/90/00/901539000.db2.gz	UZGVFNZJNXJGGA-SJORKVTESA-N	1	0	365.441	1.547	20	30		FDEDRO
N#Cc1cnccc1N1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1	ZINC001090318105	901642267	/nfs/dbraw/zinc/64/22/67/901642267.db2.gz	RJUZNOQRCMZNNS-QFBILLFUSA-N	1	0	353.470	1.866	20	30		FDEDRO
N#Cc1cccnc1N1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1	ZINC001090317419	901649521	/nfs/dbraw/zinc/64/95/21/901649521.db2.gz	BVRAUAWPAIHIPJ-ZWKOTPCHSA-N	1	0	353.470	1.866	20	30		FDEDRO
CC[C@@H](C(=O)N1CC[C@H]2CN(c3nc(C)cc(C#N)n3)C[C@H]21)[NH+](CC)CC	ZINC001090355145	901825261	/nfs/dbraw/zinc/82/52/61/901825261.db2.gz	HCMVDXRETNECNB-RYQLBKOJSA-N	1	0	370.501	1.814	20	30		FDEDRO
C=CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cccc(=O)n2C)C1	ZINC001079142780	901950740	/nfs/dbraw/zinc/95/07/40/901950740.db2.gz	UYBJDQRNCSBNBN-RTBURBONSA-N	1	0	367.449	1.259	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)CC[C@H]1c1ccc(F)cc1	ZINC001079153592	901989780	/nfs/dbraw/zinc/98/97/80/901989780.db2.gz	OWNYTTJUVIBPCS-RYQLBKOJSA-N	1	0	357.429	1.259	20	30		FDEDRO
N#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C23CCC[NH+]2CCC3)C1	ZINC001079138113	902017131	/nfs/dbraw/zinc/01/71/31/902017131.db2.gz	OKWNVCMHJFQHTD-RTBURBONSA-N	1	0	368.481	1.212	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]Cc2nccn2C)C1	ZINC001079175134	902060071	/nfs/dbraw/zinc/06/00/71/902060071.db2.gz	XJPWVZHLPACLFG-RRQGHBQHSA-N	1	0	355.417	1.803	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)S(C)(=O)=O)CC[C@H]1c1ccc(F)cc1	ZINC001079154743	902070058	/nfs/dbraw/zinc/07/00/58/902070058.db2.gz	TXSWDSKLVUKIFM-XOKHGSTOSA-N	1	0	368.474	1.719	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(CC)nn2)CC[C@H]1c1ccc(F)cc1	ZINC001079160264	902084054	/nfs/dbraw/zinc/08/40/54/902084054.db2.gz	JNTDUYGLFZEJKI-DLBZAZTESA-N	1	0	355.417	1.658	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cn2cc(Cl)cn2)C[C@H]1c1cccc(F)c1	ZINC001079200750	902100862	/nfs/dbraw/zinc/10/08/62/902100862.db2.gz	GWCDAABDRKLTEH-DLBZAZTESA-N	1	0	360.820	1.893	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1c1cccc(F)c1	ZINC001079203863	902106234	/nfs/dbraw/zinc/10/62/34/902106234.db2.gz	SICOLXWTCUTPEW-GOEBONIOSA-N	1	0	363.824	1.905	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3nc[nH]c3C2)C[C@H]1c1cccc(F)c1	ZINC001079206127	902110939	/nfs/dbraw/zinc/11/09/39/902110939.db2.gz	XRDUXTYBBREEOX-RIFZZMRRSA-N	1	0	366.440	1.871	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N2CCCC2=O)C[C@H]1c1cccc(F)c1	ZINC001079210109	902118882	/nfs/dbraw/zinc/11/88/82/902118882.db2.gz	ZAPKBYNXHBWRNU-IPMKNSEASA-N	1	0	371.456	1.744	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccn3nnnc23)C[C@H]1c1cccc(F)c1	ZINC001079186546	902132231	/nfs/dbraw/zinc/13/22/31/902132231.db2.gz	QNLYDFINGRXQTI-DLBZAZTESA-N	1	0	366.400	1.647	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(OCC)n[nH]2)C[C@H]1c1cccc(F)c1	ZINC001079188783	902138981	/nfs/dbraw/zinc/13/89/81/902138981.db2.gz	QLMNOZXNLNUABD-DOTOQJQBSA-N	1	0	356.401	1.779	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3ncccc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079233572	902168214	/nfs/dbraw/zinc/16/82/14/902168214.db2.gz	QUORTMBUYCQELL-ZWKOTPCHSA-N	1	0	353.466	1.966	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)CC[C@H]3CCOC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079234389	902171478	/nfs/dbraw/zinc/17/14/78/902171478.db2.gz	JQOYBNDVBPVJCF-GBESFXJTSA-N	1	0	360.498	1.766	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC3(CC[NH+](CC4CC4)CC3)[C@H]3COC[C@H]32)c[nH]1	ZINC001079235696	902174481	/nfs/dbraw/zinc/17/44/81/902174481.db2.gz	LSBSMKPWNKMJBW-ZWKOTPCHSA-N	1	0	354.454	1.849	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)CC3OCCCO3)[C@@H]3COC[C@@H]32)CC1	ZINC001079238143	902180504	/nfs/dbraw/zinc/18/05/04/902180504.db2.gz	JVJGBOGJOLIASD-DLBZAZTESA-N	1	0	364.486	1.655	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)Cc3nnc(C)o3)[C@@H]3COC[C@@H]32)CC1	ZINC001079239277	902185526	/nfs/dbraw/zinc/18/55/26/902185526.db2.gz	LFHBRRLYRFJYLR-JKSUJKDBSA-N	1	0	360.458	1.436	20	30		FDEDRO
O=C(C#CC1CC1)N1CC2(CC[NH+](C[C@H]3CCOC3)CC2)[C@H]2COC[C@H]21	ZINC001079241022	902191554	/nfs/dbraw/zinc/19/15/54/902191554.db2.gz	KHQQZKBDYZYKLC-CEXWTWQISA-N	1	0	358.482	1.376	20	30		FDEDRO
Cc1nn(C)cc1C[NH+]1CCC2(CN(C(=O)[C@H](C)C#N)[C@@H]3COC[C@@H]32)CC1	ZINC001079228238	902241153	/nfs/dbraw/zinc/24/11/53/902241153.db2.gz	CJQUAMGUCRAMAX-FHLIZLRMSA-N	1	0	371.485	1.328	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC2(CC[NH+](Cc3cccnc3)CC2)[C@H]2COC[C@H]21	ZINC001079228686	902245112	/nfs/dbraw/zinc/24/51/12/902245112.db2.gz	VZCJURATKFGSCQ-RYQLBKOJSA-N	1	0	354.454	1.681	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3cnc4n3CCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079245595	902254129	/nfs/dbraw/zinc/25/41/29/902254129.db2.gz	BEUVOFLHIFTUAD-FUHWJXTLSA-N	1	0	370.497	1.958	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21	ZINC001079245975	902255287	/nfs/dbraw/zinc/25/52/87/902255287.db2.gz	MOBVQIZDPXSMNV-FUHWJXTLSA-N	1	0	359.470	1.219	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cn(C)nc3CC)[C@@H]3COC[C@@H]32)CC1	ZINC001079247153	902259559	/nfs/dbraw/zinc/25/95/59/902259559.db2.gz	OAFRJOQIAYNKBA-FUHWJXTLSA-N	1	0	358.486	1.722	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3ccnc(OC)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079251430	902273336	/nfs/dbraw/zinc/27/33/36/902273336.db2.gz	WZIODFYLUMMWFZ-DOTOQJQBSA-N	1	0	370.453	1.062	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H]3COC[C@@H]32)CC1	ZINC001079253070	902275549	/nfs/dbraw/zinc/27/55/49/902275549.db2.gz	YZVQLIPZKPNLFJ-PHUPPTAPSA-N	1	0	372.509	1.925	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCO[C@H]3CC)[C@@H]3COC[C@@H]32)CC1	ZINC001079252738	902276208	/nfs/dbraw/zinc/27/62/08/902276208.db2.gz	QIXRLDBEQDKLDK-HCXYKTFWSA-N	1	0	360.498	1.764	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)CCc3ccccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079253669	902276904	/nfs/dbraw/zinc/27/69/04/902276904.db2.gz	BMPNQYBTPNSFES-RBUKOAKNSA-N	1	0	353.466	1.587	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)[C@@H](OC)C3CCC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079254284	902278424	/nfs/dbraw/zinc/27/84/24/902278424.db2.gz	VCOGWZYGGXZLEV-OTWHNJEPSA-N	1	0	360.498	1.764	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)Cc3c(C)nn(C)c3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079254315	902279964	/nfs/dbraw/zinc/27/99/64/902279964.db2.gz	WQZXDYUNBFQCAA-RBUKOAKNSA-N	1	0	370.497	1.152	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC3(CC[NH+](CCO)CC3)[C@H]3COC[C@H]32)cc1	ZINC001079254801	902282684	/nfs/dbraw/zinc/28/26/84/902282684.db2.gz	WNHOMVYGTUYQPV-RBUKOAKNSA-N	1	0	354.450	1.213	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ccn(C(C)C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079263043	902304044	/nfs/dbraw/zinc/30/40/44/902304044.db2.gz	KABFQYHXGJDIOM-FUHWJXTLSA-N	1	0	356.470	1.650	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ccc4c(c3)COC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079265677	902313492	/nfs/dbraw/zinc/31/34/92/902313492.db2.gz	VZRBOBIDONLVTO-VQTJNVASSA-N	1	0	366.461	1.903	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3ncccc3F)[C@@H]3COC[C@@H]32)CC1	ZINC001079267942	902318249	/nfs/dbraw/zinc/31/82/49/902318249.db2.gz	DAFNASVFJJBRKR-DOTOQJQBSA-N	1	0	357.429	1.797	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)C[C@H](C)n3cccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269075	902322804	/nfs/dbraw/zinc/32/28/04/902322804.db2.gz	DXWFMZQDPPSJRU-GBESFXJTSA-N	1	0	370.497	1.797	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3ccc(C(N)=O)cc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079272605	902336280	/nfs/dbraw/zinc/33/62/80/902336280.db2.gz	ORLZGPUJXWOEGP-ZWKOTPCHSA-N	1	0	369.465	1.525	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cn4c(n3)CCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079243102	902340569	/nfs/dbraw/zinc/34/05/69/902340569.db2.gz	LILPRNCJCXNHCE-FUHWJXTLSA-N	1	0	368.481	1.406	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3nccn3C2)C[C@H]1c1ccccc1F	ZINC001079300663	902348263	/nfs/dbraw/zinc/34/82/63/902348263.db2.gz	RSUTVPNYLJEMSL-HHXXYDBFSA-N	1	0	366.440	1.802	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ccc(N(C)C)cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079275688	902359102	/nfs/dbraw/zinc/35/91/02/902359102.db2.gz	RQUGBYQXMBAQPT-PKOBYXMFSA-N	1	0	368.481	1.334	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]Cc2cnnn2C)C1	ZINC001079287172	902384362	/nfs/dbraw/zinc/38/43/62/902384362.db2.gz	QZZDGRMVUMUJLB-ISTRZQFTSA-N	1	0	356.405	1.198	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(CCC=C)nn2)C[C@H]1c1ccccc1F	ZINC001079315794	902410858	/nfs/dbraw/zinc/41/08/58/902410858.db2.gz	FMAHENOPGBCJDZ-FUHWJXTLSA-N	1	0	367.428	1.824	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3nc[nH]c3C2)C[C@H]1c1ccccc1F	ZINC001079317437	902415780	/nfs/dbraw/zinc/41/57/80/902415780.db2.gz	HOIFXRPGOLIBDW-PTSWNOGYSA-N	1	0	366.440	1.871	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C)cc2=O)C[C@H]1c1ccccc1F	ZINC001079317835	902415957	/nfs/dbraw/zinc/41/59/57/902415957.db2.gz	QVOJHNJGAUAXNP-FUHWJXTLSA-N	1	0	353.397	1.653	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C(C)=O)C[C@H]1c1ccccc1F	ZINC001079323052	902427604	/nfs/dbraw/zinc/42/76/04/902427604.db2.gz	KCRZTNBJONILSZ-QXAKKESOSA-N	1	0	357.429	1.354	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2C)C[C@H]1c1ccccc1F	ZINC001079305191	902436584	/nfs/dbraw/zinc/43/65/84/902436584.db2.gz	PXTJJYKKJRWRBX-QILLFSRXSA-N	1	0	357.429	1.354	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@H]1c1ccccc1F	ZINC001079307524	902440331	/nfs/dbraw/zinc/44/03/31/902440331.db2.gz	PGVBYAUGPVZOOP-FUHWJXTLSA-N	1	0	356.401	1.155	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1c1ccccc1F	ZINC001079311327	902447477	/nfs/dbraw/zinc/44/74/77/902447477.db2.gz	VKVOZFRAIPJVPD-XAUMDUMWSA-N	1	0	359.445	1.812	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C(C)(C)C1	ZINC000995920509	902616120	/nfs/dbraw/zinc/61/61/20/902616120.db2.gz	FQRXDQQIYOAREP-WBAXXEDZSA-N	1	0	357.454	1.689	20	30		FDEDRO
Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]2C)nn1C	ZINC001079468457	902645405	/nfs/dbraw/zinc/64/54/05/902645405.db2.gz	FJJGZTLGKGJPEY-AUUYWEPGSA-N	1	0	367.453	1.881	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)c1cc[nH]c(=O)c1	ZINC001079561692	902772988	/nfs/dbraw/zinc/77/29/88/902772988.db2.gz	NOUODOIHHLFINT-RDTXWAMCSA-N	1	0	366.421	1.940	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)C[C@@H]1COC(=O)C1	ZINC001079572338	902811524	/nfs/dbraw/zinc/81/15/24/902811524.db2.gz	PBGDBRHSPPNSKO-UWWQBHOKSA-N	1	0	371.437	1.479	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(C#N)c[nH]2)C3)CC[N@@H+]1C	ZINC000996005854	902883919	/nfs/dbraw/zinc/88/39/19/902883919.db2.gz	IAGDNXOSLCSXHR-WBOSRHFRSA-N	1	0	369.469	1.478	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C#N)c[nH]1)C2	ZINC000996008812	902890174	/nfs/dbraw/zinc/89/01/74/902890174.db2.gz	UENZRVUMFWTVFP-MXSMSXNCSA-N	1	0	369.469	1.621	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc3c2OCCO3)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC001079601127	902900626	/nfs/dbraw/zinc/90/06/26/902900626.db2.gz	JPFSSHZSRRWYEL-CXAGYDPISA-N	1	0	366.421	1.908	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC001079601298	902900720	/nfs/dbraw/zinc/90/07/20/902900720.db2.gz	RNIITPQVYIKZGQ-PJSAGSTRSA-N	1	0	356.401	1.809	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C#N)[nH]1)C2	ZINC000996093824	903070067	/nfs/dbraw/zinc/07/00/67/903070067.db2.gz	SMZAQFMCLCSMGT-MVJTYMMSSA-N	1	0	369.469	1.622	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCCCO2)C3)CC1	ZINC000996078434	903101821	/nfs/dbraw/zinc/10/18/21/903101821.db2.gz	CLQJNEBCOWTXSM-YDZRNGNQSA-N	1	0	373.497	1.149	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1C[C@@H](C)CC(=O)N1	ZINC001079718499	903133023	/nfs/dbraw/zinc/13/30/23/903133023.db2.gz	GELMLUZVFMAQON-DTTOXWODSA-N	1	0	354.454	1.409	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[C@@H]1CCC(=O)NC1	ZINC001079836048	903455490	/nfs/dbraw/zinc/45/54/90/903455490.db2.gz	SUKCSAGPZOLGIW-FHLIZLRMSA-N	1	0	354.454	1.411	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(CC)C1CN(C(=O)C[N@H+](C)C(C)C)C1	ZINC001079850581	903626847	/nfs/dbraw/zinc/62/68/47/903626847.db2.gz	RVODWCYFUAODPQ-HKUYNNGSSA-N	1	0	365.518	1.757	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccnc(OC)n2)C(C)(C)C1	ZINC000996330909	903711514	/nfs/dbraw/zinc/71/15/14/903711514.db2.gz	NSVURFSCXVJRQJ-OWCLPIDISA-N	1	0	360.458	1.403	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2snnc2C)C(C)(C)C1	ZINC000996331996	903714914	/nfs/dbraw/zinc/71/49/14/903714914.db2.gz	VSWIMPCELIPZQP-VNHYZAJKSA-N	1	0	350.488	1.764	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(=O)N2CCC2)C(C)(C)C1	ZINC000996393193	903837529	/nfs/dbraw/zinc/83/75/29/903837529.db2.gz	IZALUOHDQXBQEX-JZXOWHBKSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1C	ZINC001079977829	903878133	/nfs/dbraw/zinc/87/81/33/903878133.db2.gz	LFXDAKIBPYGXCI-NVXWUHKLSA-N	1	0	355.442	1.593	20	30		FDEDRO
CCN1CCOC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001084468772	914781829	/nfs/dbraw/zinc/78/18/29/914781829.db2.gz	AYRYUDWJFPHNBH-AQNXPRMDSA-N	1	0	368.481	1.312	20	30		FDEDRO
Cc1cc(C[N@@H+]2CC[C@@]3(CNC(=O)CSCC#N)CCC[C@@H]23)nn1C	ZINC001107289842	904309914	/nfs/dbraw/zinc/30/99/14/904309914.db2.gz	TXGDQZCHQAIMOJ-SJLPKXTDSA-N	1	0	361.515	1.846	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]Cc2c(C)nnn2CC)CC1	ZINC000996600339	904313108	/nfs/dbraw/zinc/31/31/08/904313108.db2.gz	IIYRTEUHWOCTAE-AEFFLSMTSA-N	1	0	361.490	1.668	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@]3(CNC(=O)Cn4cccn4)CCC[C@@H]23)C1=O	ZINC001107281699	904315128	/nfs/dbraw/zinc/31/51/28/904315128.db2.gz	LZESXYIQUDUIDB-MBOZVWFJSA-N	1	0	371.485	1.031	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H]2CCNC(=O)CC2)CC1	ZINC000996602008	904321518	/nfs/dbraw/zinc/32/15/18/904321518.db2.gz	VLXWZYLEGRGZDP-JQHSSLGASA-N	1	0	363.502	1.465	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CSCCC)CCC[C@@H]12	ZINC001107303287	904388420	/nfs/dbraw/zinc/38/84/20/904388420.db2.gz	OTMCZLKSJMGMAX-CRAIPNDOSA-N	1	0	351.516	1.240	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(C)(C)C)CC2	ZINC001107330636	904460725	/nfs/dbraw/zinc/46/07/25/904460725.db2.gz	HFSOKVLHZKQJGV-DNVCBOLYSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cncc(OC)n1)CC2	ZINC001107329143	904493073	/nfs/dbraw/zinc/49/30/73/904493073.db2.gz	JUBSDNCFLAZZKT-VQIMIIECSA-N	1	0	360.458	1.549	20	30		FDEDRO
COc1ncc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@H](C)C#N)CCC[C@@H]23)c(C)n1	ZINC001107336331	904505506	/nfs/dbraw/zinc/50/55/06/904505506.db2.gz	LIFYGNBGJOMFTC-VVFCZOMOSA-N	1	0	357.458	1.814	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nccnc1C)CC2	ZINC001107381791	904651523	/nfs/dbraw/zinc/65/15/23/904651523.db2.gz	UAHFIVSNOWGMIS-MISYRCLQSA-N	1	0	358.486	1.973	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCN1CCCC1=O)CC2	ZINC001107381658	904652094	/nfs/dbraw/zinc/65/20/94/904652094.db2.gz	PVOUNDWZEVZQKS-LSTHTHJFSA-N	1	0	363.502	1.297	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC([NH2+]Cc2cc(F)ccc2C#N)CC1	ZINC000996682374	904715941	/nfs/dbraw/zinc/71/59/41/904715941.db2.gz	SUKJVUDOKZFBMB-UGSOOPFHSA-N	1	0	361.417	1.582	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@]3(CNC(=O)C#CC4CC4)CCC[C@@H]23)C1=O	ZINC001107399995	904731915	/nfs/dbraw/zinc/73/19/15/904731915.db2.gz	UVPRDBOBGYQNSX-DBXWQHBBSA-N	1	0	355.482	1.548	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCOC)CC2	ZINC001107401921	904737588	/nfs/dbraw/zinc/73/75/88/904737588.db2.gz	GLTDAEVTHWMZHJ-YQVWRLOYSA-N	1	0	352.475	1.049	20	30		FDEDRO
CC(=O)N1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2C)C1	ZINC001080077874	904738836	/nfs/dbraw/zinc/73/88/36/904738836.db2.gz	VVCVDKHZPLCDDT-UIAACRFSSA-N	1	0	368.481	1.753	20	30		FDEDRO
CO[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC001081563487	904770267	/nfs/dbraw/zinc/77/02/67/904770267.db2.gz	RMUNHQUONWTACI-FGTMMUONSA-N	1	0	360.458	1.257	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3nn(C)cc3Cl)CCC[C@@H]12	ZINC001107416230	904829479	/nfs/dbraw/zinc/82/94/79/904829479.db2.gz	GXKIATKGFLXHAP-CRAIPNDOSA-N	1	0	364.877	1.698	20	30		FDEDRO
N#Cc1ccccc1C[N@@H+]1CC[C@@]2(CNC(=O)Cn3nccn3)CCC[C@@H]12	ZINC001107423000	904874911	/nfs/dbraw/zinc/87/49/11/904874911.db2.gz	UEBUQGFZHRYSDQ-UYAOXDASSA-N	1	0	364.453	1.711	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CCC([NH2+]Cc3ccccc3C#N)CC2)O1	ZINC000996713249	904920097	/nfs/dbraw/zinc/92/00/97/904920097.db2.gz	RGYHYSHWYHGMFA-DNVCBOLYSA-N	1	0	356.470	1.358	20	30		FDEDRO
CC(C)(C(N)=O)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2	ZINC001107444494	904943999	/nfs/dbraw/zinc/94/39/99/904943999.db2.gz	LGOOZVLPVVHGEL-XMSQKQJNSA-N	1	0	367.493	1.910	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)Cc3ccc(C(N)=O)nc3)CCC[C@@H]12	ZINC001107449446	904969819	/nfs/dbraw/zinc/96/98/19/904969819.db2.gz	JKQYANJZUJWRHW-YLJYHZDGSA-N	1	0	356.470	1.660	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C34CCC(CC3)C4)CCC[C@@H]12	ZINC001107450114	904974498	/nfs/dbraw/zinc/97/44/98/904974498.db2.gz	CSUJYIDXIJVHRT-AJSWOKLQSA-N	1	0	358.486	1.567	20	30		FDEDRO
C=C1CC(C)(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[NH+]4CCC2CC4)C3)C1	ZINC000996719226	904993163	/nfs/dbraw/zinc/99/31/63/904993163.db2.gz	IDXWZVIPDLVDRV-BDXSIMOUSA-N	1	0	357.498	1.933	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)Cn3ccc(=O)[nH]c3=O)CCC[C@@H]12	ZINC001107465251	905036440	/nfs/dbraw/zinc/03/64/40/905036440.db2.gz	SCDXQIHSOUKLKS-CXAGYDPISA-N	1	0	366.849	1.062	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCS(=O)(=O)C3)CCC[C@@H]12	ZINC001107466407	905040949	/nfs/dbraw/zinc/04/09/49/905040949.db2.gz	IKGQCRRRCKHHEZ-JFIYKMOQSA-N	1	0	354.516	1.748	20	30		FDEDRO
N#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[NH+]4CCC2CC4)C3)[nH]1	ZINC000996723171	905049260	/nfs/dbraw/zinc/04/92/60/905049260.db2.gz	CUSYPYIFFZWJLY-LMSBXDPUSA-N	1	0	367.453	1.090	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)CN3CCCCC3=O)CCC[C@@H]12	ZINC001107461777	905065459	/nfs/dbraw/zinc/06/54/59/905065459.db2.gz	MIOKTDBFQBUIIN-YLJYHZDGSA-N	1	0	363.502	1.562	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc(Cl)n3C)CCC[C@@H]12	ZINC001107470010	905087452	/nfs/dbraw/zinc/08/74/52/905087452.db2.gz	YFXBRQGRRWCNGZ-CRAIPNDOSA-N	1	0	364.877	1.698	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)COc3c(C)occc3=O)CCC[C@@H]12	ZINC001107470011	905088213	/nfs/dbraw/zinc/08/82/13/905088213.db2.gz	YGCADELGHNHVAB-YLJYHZDGSA-N	1	0	358.438	1.711	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2sccc2-n2ccnn2)[C@H](OC)C1	ZINC001081831390	905089149	/nfs/dbraw/zinc/08/91/49/905089149.db2.gz	CJXTVVAHKABMFP-UKRRQHHQSA-N	1	0	361.471	1.724	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@]1(C)CCC(=O)NC1	ZINC001080304379	905104318	/nfs/dbraw/zinc/10/43/18/905104318.db2.gz	HRXXKRPTOGYNEF-WIBUTAKZSA-N	1	0	354.454	1.411	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)Cn3nc(C)c4cccnc43)CCC[C@@H]12	ZINC001107481239	905135105	/nfs/dbraw/zinc/13/51/05/905135105.db2.gz	OQKIYURGWDOYAV-YLJYHZDGSA-N	1	0	351.454	1.734	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3C[C@H]3C3CC3)CCC[C@@H]12	ZINC001107478427	905150807	/nfs/dbraw/zinc/15/08/07/905150807.db2.gz	XLWBWEDUMSKMPK-MIALQEHNSA-N	1	0	358.486	1.423	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[C@@H]4C[C@@H]4CC3)CCC[C@@H]12	ZINC001107479769	905152610	/nfs/dbraw/zinc/15/26/10/905152610.db2.gz	MWRNDHPRZHQLFR-NFSXTHTRSA-N	1	0	371.525	1.923	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2OC)cc1	ZINC001081865080	905169215	/nfs/dbraw/zinc/16/92/15/905169215.db2.gz	VLYGVHUGTDVWDL-KFKAGJAMSA-N	1	0	360.454	1.717	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1OC	ZINC001081865034	905169874	/nfs/dbraw/zinc/16/98/74/905169874.db2.gz	SGIFWUKBAMAWDP-KVSKMBFKSA-N	1	0	360.454	1.717	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)C(F)(F)F)CCC[C@@H]12	ZINC001107502418	905258043	/nfs/dbraw/zinc/25/80/43/905258043.db2.gz	HFZUYEMMYPESCU-XJKCOSOUSA-N	1	0	359.392	1.295	20	30		FDEDRO
C[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C1CC[NH+](C)CC1	ZINC001080377305	905282893	/nfs/dbraw/zinc/28/28/93/905282893.db2.gz	KPJABXTZQFKKSO-AUUYWEPGSA-N	1	0	358.461	1.976	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3(C(F)F)CCC3)CCC[C@@H]12	ZINC001107518450	905329297	/nfs/dbraw/zinc/32/92/97/905329297.db2.gz	UJBDCJXUHWMACC-CXAGYDPISA-N	1	0	368.428	1.422	20	30		FDEDRO
C=CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@@H](O)COCCOC)CC2	ZINC001107524076	905362219	/nfs/dbraw/zinc/36/22/19/905362219.db2.gz	GNOGYHDPKTXZGT-QWFCFKBJSA-N	1	0	368.518	1.727	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)CCCS(N)(=O)=O)CCC[C@@H]12	ZINC001107525315	905371267	/nfs/dbraw/zinc/37/12/67/905371267.db2.gz	ATHPSRDSNYVYDD-UKRRQHHQSA-N	1	0	363.911	1.168	20	30		FDEDRO
COc1ccc(CN2C[C@@H](C)[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)cc1C#N	ZINC001080441659	905442518	/nfs/dbraw/zinc/44/25/18/905442518.db2.gz	USCYOTKLKOJMTQ-JTDSTZFVSA-N	1	0	370.497	1.988	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3nccn4ccnc34)CCC[C@@H]12	ZINC001107549827	905499045	/nfs/dbraw/zinc/49/90/45/905499045.db2.gz	HAWLSOBNAQAIMG-OXQOHEQNSA-N	1	0	367.453	1.354	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)c3cccnc3)CCC[C@@H]12	ZINC001107555719	905577338	/nfs/dbraw/zinc/57/73/38/905577338.db2.gz	PPIMOAMKSUPYHB-YLJYHZDGSA-N	1	0	356.470	1.748	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CN3C(=O)Cc4ccccc43)CCC[C@@H]12	ZINC001107558637	905611466	/nfs/dbraw/zinc/61/14/66/905611466.db2.gz	DLOMJVMXNJHJFE-DENIHFKCSA-N	1	0	365.477	1.960	20	30		FDEDRO
C=CCC(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(=O)NC)CC2	ZINC001107561488	905636711	/nfs/dbraw/zinc/63/67/11/905636711.db2.gz	MJNJMCGDAHVTLH-AUUYWEPGSA-N	1	0	364.490	1.405	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H](C)n3ccnc3)CCC[C@@H]12	ZINC001107561450	905636802	/nfs/dbraw/zinc/63/68/02/905636802.db2.gz	KHDBACFFCYYSOO-NLWGTHIKSA-N	1	0	358.486	1.845	20	30		FDEDRO
C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)Nc1cncc(C#N)n1	ZINC001098288298	905644320	/nfs/dbraw/zinc/64/43/20/905644320.db2.gz	JEALHOONEDGODF-QGTPRVQTSA-N	1	0	364.453	1.610	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3cn(CC=C)nn3)CCC[C@@H]12	ZINC001107570866	905647629	/nfs/dbraw/zinc/64/76/29/905647629.db2.gz	GPLVGCNYZHTDCS-IEBWSBKVSA-N	1	0	359.474	1.641	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](NC(=O)COC)C(C)C)CCC[C@@H]12	ZINC001107570941	905650368	/nfs/dbraw/zinc/65/03/68/905650368.db2.gz	KDWSUHFKIIHHDO-IMFGXOCKSA-N	1	0	363.502	1.158	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1C	ZINC001080598861	905818198	/nfs/dbraw/zinc/81/81/98/905818198.db2.gz	ADAFAAQBLNWIQS-VUNQQRPYSA-N	1	0	362.474	1.728	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCc3ncccn3)CCC[C@@H]12	ZINC001107586383	905836335	/nfs/dbraw/zinc/83/63/35/905836335.db2.gz	UVCKMSSXJJWAOX-YLJYHZDGSA-N	1	0	356.470	1.420	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)Cc1ncc[nH]1	ZINC001080673165	905926814	/nfs/dbraw/zinc/92/68/14/905926814.db2.gz	BFOPIXFMUZFALW-RHSMWYFYSA-N	1	0	353.426	1.491	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cn(CC2CC2)nn1	ZINC001080682083	905949125	/nfs/dbraw/zinc/94/91/25/905949125.db2.gz	WJXITSCKHVBISU-RDTXWAMCSA-N	1	0	364.453	1.810	20	30		FDEDRO
COc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)cc1	ZINC001107615665	906006148	/nfs/dbraw/zinc/00/61/48/906006148.db2.gz	HEQJHIKXUCMODB-YLJYHZDGSA-N	1	0	370.453	1.309	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)CN3C(=O)NC(C)(C)C3=O)CCC[C@@H]12	ZINC001107622430	906022895	/nfs/dbraw/zinc/02/28/95/906022895.db2.gz	HYPPMZNLNRQIED-AUUYWEPGSA-N	1	0	362.474	1.254	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC(=O)N3C)CCC[C@@H]12	ZINC001107622905	906026766	/nfs/dbraw/zinc/02/67/66/906026766.db2.gz	GTROVTJCKINTTC-MBOZVWFJSA-N	1	0	361.486	1.008	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@]3(C)CCS(=O)(=O)N3)CCC[C@@H]12	ZINC001107621332	906062325	/nfs/dbraw/zinc/06/23/25/906062325.db2.gz	NAHJKTRINVSHOX-BPQIPLTHSA-N	1	0	369.531	1.395	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)c3ccccc3F)CCC[C@@H]12	ZINC001107632026	906078896	/nfs/dbraw/zinc/07/88/96/906078896.db2.gz	MSVXJLLIXWXPKT-YLJYHZDGSA-N	1	0	357.429	1.550	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+](CC2CC(OCC)C2)C[C@H]1C	ZINC001080805413	906287441	/nfs/dbraw/zinc/28/74/41/906287441.db2.gz	QOEQDJXJOKHCRX-RMFNQSEZSA-N	1	0	371.481	1.959	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]2OC)nn1	ZINC001082219116	906323374	/nfs/dbraw/zinc/32/33/74/906323374.db2.gz	VVJWCJOYUVOKRJ-NVXWUHKLSA-N	1	0	361.490	1.719	20	30		FDEDRO
COc1cc[nH]c(=O)c1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C	ZINC001080792146	906329380	/nfs/dbraw/zinc/32/93/80/906329380.db2.gz	NOEAHUXYGKKLNZ-CZUORRHYSA-N	1	0	366.421	1.918	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1ccc(N(C)C)nn1	ZINC001080796718	906346755	/nfs/dbraw/zinc/34/67/55/906346755.db2.gz	NOGJCDNTWDSIRF-RDTXWAMCSA-N	1	0	364.453	1.665	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)c3ccc(F)cc3)C[C@H]2C)cn1	ZINC001080810613	906363602	/nfs/dbraw/zinc/36/36/02/906363602.db2.gz	VDILCCWZDLAIQS-JSNMRZPZSA-N	1	0	367.424	1.986	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCCCN2C(C)=O)[C@H](OC)C1	ZINC001082229125	906428354	/nfs/dbraw/zinc/42/83/54/906428354.db2.gz	XRBDAQBSILUYAD-KZNAEPCWSA-N	1	0	351.491	1.559	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1C	ZINC001080851764	906448301	/nfs/dbraw/zinc/44/83/01/906448301.db2.gz	ZLNNIOMNZRXTCK-FUHIMQAGSA-N	1	0	367.493	1.563	20	30		FDEDRO
C=CCC[NH2+][C@H]1CCN(c2cccc(CNC(=O)[C@]34C[C@H]3COC4)n2)C1	ZINC001127840396	906614364	/nfs/dbraw/zinc/61/43/64/906614364.db2.gz	XTKRRGUPTSDPHX-KNBMTAEXSA-N	1	0	356.470	1.479	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)Cc3cccc(F)c3)C2)C1=O	ZINC001080895938	906680693	/nfs/dbraw/zinc/68/06/93/906680693.db2.gz	FNBWYXVYTTWVQC-OLMNPRSZSA-N	1	0	359.445	1.592	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2	ZINC000996975795	906794576	/nfs/dbraw/zinc/79/45/76/906794576.db2.gz	NENOUMUBTXKIPF-ZBRFXRBCSA-N	1	0	373.497	1.312	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC000997004172	906891620	/nfs/dbraw/zinc/89/16/20/906891620.db2.gz	NBWMQLINHRFKBL-QVDCYYDOSA-N	1	0	355.442	1.088	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1OC	ZINC001082345476	906936431	/nfs/dbraw/zinc/93/64/31/906936431.db2.gz	LWOLJZBEUOWJEW-XUVXKRRUSA-N	1	0	356.466	1.595	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1OC	ZINC001082345644	906938251	/nfs/dbraw/zinc/93/82/51/906938251.db2.gz	VNEUPSMRRRSCPU-NHCUHLMSSA-N	1	0	370.493	1.843	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(C)sc2C)C[C@H]1O	ZINC001077699076	906969108	/nfs/dbraw/zinc/96/91/08/906969108.db2.gz	OYDSNVJSWMPLQM-VQHPVUNQSA-N	1	0	350.484	1.617	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@H]1c1ccccc1	ZINC001081090768	907131623	/nfs/dbraw/zinc/13/16/23/907131623.db2.gz	VRRCOCIPDNXANL-BBWFWOEESA-N	1	0	350.846	1.739	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)N2CCCCC2)C1	ZINC001081098907	907167928	/nfs/dbraw/zinc/16/79/28/907167928.db2.gz	NGQSWABTPDSKJB-NZSAHSFTSA-N	1	0	368.481	1.743	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C(C)C)C2)C[C@H]1c1ccccc1	ZINC001081122334	907179128	/nfs/dbraw/zinc/17/91/28/907179128.db2.gz	OJJKJJUKBPYZDO-CEXWTWQISA-N	1	0	353.466	1.461	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3ncncc3C2)C[C@H]1c1ccccc1	ZINC001081124730	907184345	/nfs/dbraw/zinc/18/43/45/907184345.db2.gz	TYZMKAMDOKZHOA-SLYNCCJLSA-N	1	0	360.461	1.799	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccnn2CCOC)C[C@H]1c1ccccc1	ZINC001081129768	907227743	/nfs/dbraw/zinc/22/77/43/907227743.db2.gz	DAUWINKHWGALFL-ZWKOTPCHSA-N	1	0	352.438	1.361	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cn(CC)nn2)CC1	ZINC000997087152	907266523	/nfs/dbraw/zinc/26/65/23/907266523.db2.gz	XFMDMGRLDITGMB-ROUUACIJSA-N	1	0	361.490	1.750	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1	ZINC000658446587	907310667	/nfs/dbraw/zinc/31/06/67/907310667.db2.gz	BMRDYROPXBBIGP-UHFFFAOYSA-N	1	0	359.470	1.430	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn([C@@H]3CCOC3)nn2)C[C@H]1c1ccccc1	ZINC001081208926	907314038	/nfs/dbraw/zinc/31/40/38/907314038.db2.gz	UPFYIVYTSWLGQL-FGTMMUONSA-N	1	0	367.453	1.623	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccn3c(=O)[nH]nc23)C[C@H]1c1ccccc1	ZINC001081213825	907323648	/nfs/dbraw/zinc/32/36/48/907323648.db2.gz	RAQBADZDDZSSFM-DLBZAZTESA-N	1	0	363.421	1.819	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]1c1ccccc1	ZINC001081189404	907366791	/nfs/dbraw/zinc/36/67/91/907366791.db2.gz	SXRMFJILXPVWMI-DLBZAZTESA-N	1	0	364.511	1.970	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C)N2CCOCC2)C[C@H]1c1ccccc1	ZINC001081247196	907446117	/nfs/dbraw/zinc/44/61/17/907446117.db2.gz	XOQGAAMIJCMPHR-YSIASYRMSA-N	1	0	357.498	1.867	20	30		FDEDRO
N#CCOc1ccc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC34CCC4)C2)cc1	ZINC001077749592	907502839	/nfs/dbraw/zinc/50/28/39/907502839.db2.gz	YQGYVHMKBGNBAA-RCCFBDPRSA-N	1	0	355.438	1.440	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2snnc2C)C[C@H]1C	ZINC001082419924	907590666	/nfs/dbraw/zinc/59/06/66/907590666.db2.gz	GUERCYCMZUBCOM-IAQYHMDHSA-N	1	0	371.466	1.977	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cnccn3)C[C@H]2C)cc1C#N	ZINC001082412020	907625626	/nfs/dbraw/zinc/62/56/26/907625626.db2.gz	UHGIICAZLQINPI-CXAGYDPISA-N	1	0	351.410	1.607	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082414926	907640214	/nfs/dbraw/zinc/64/02/14/907640214.db2.gz	LFDBCFOESTVWGZ-RHSMWYFYSA-N	1	0	357.410	1.414	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2cccn2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082427786	907672991	/nfs/dbraw/zinc/67/29/91/907672991.db2.gz	HMJJJADZXAWYRB-RDTXWAMCSA-N	1	0	355.417	1.921	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCN(C(=O)C(C)(C)C)CC2)C1	ZINC001082450653	907728359	/nfs/dbraw/zinc/72/83/59/907728359.db2.gz	CXQHLWDUZUVIJH-ZMSDIMECSA-N	1	0	362.518	1.867	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082453053	907745119	/nfs/dbraw/zinc/74/51/19/907745119.db2.gz	HEOKEBRBQYIROY-IAQYHMDHSA-N	1	0	354.389	1.320	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCOC2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082443223	907786945	/nfs/dbraw/zinc/78/69/45/907786945.db2.gz	SGOMTYZHBFOPPN-HHXXYDBFSA-N	1	0	357.454	1.952	20	30		FDEDRO
CC[C@@H]1CCCCN1C(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC001082464908	907899719	/nfs/dbraw/zinc/89/97/19/907899719.db2.gz	QNPVZOJBOQARLO-QGPMSJSTSA-N	1	0	371.485	1.728	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C)C(=O)N1CCCCCC1	ZINC001082464863	907900329	/nfs/dbraw/zinc/90/03/29/907900329.db2.gz	NAZJYJJPHRSSHJ-IIDMSEBBSA-N	1	0	371.485	1.728	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1[NH2+][C@H]1CCN(C2CCC2)C1=O	ZINC001082483763	907907762	/nfs/dbraw/zinc/90/77/62/907907762.db2.gz	HWAXSHWFDXUGLW-OAUYIBNBSA-N	1	0	355.442	1.090	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cn(C)cn3)C[C@H]2C)cc1C#N	ZINC001082474190	907928224	/nfs/dbraw/zinc/92/82/24/907928224.db2.gz	AVAPWQZBULUKID-CZUORRHYSA-N	1	0	353.426	1.551	20	30		FDEDRO
COc1ncc(C[NH2+][C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)c(C)n1	ZINC001082480168	907947523	/nfs/dbraw/zinc/94/75/23/907947523.db2.gz	KHGMAEGSNLMWEM-BDJLRTHQSA-N	1	0	354.414	1.244	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]Cc1cc(CO)ccc1F	ZINC001082480074	907947844	/nfs/dbraw/zinc/94/78/44/907947844.db2.gz	DIGYYNHHFIQDON-KZULUSFZSA-N	1	0	356.401	1.768	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C)C(=O)N1CCCCC1	ZINC001082480465	907950272	/nfs/dbraw/zinc/95/02/72/907950272.db2.gz	UDYRCVFAWDUKFN-JKIFEVAISA-N	1	0	357.458	1.337	20	30		FDEDRO
COc1cccc([C@@H](O)C[NH2+][C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)c1	ZINC001082482109	907957801	/nfs/dbraw/zinc/95/78/01/907957801.db2.gz	QIYVMKVHJMTKKV-ZNOIYHFQSA-N	1	0	368.437	1.679	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnc(N(C)C)cn2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082511357	908040644	/nfs/dbraw/zinc/04/06/44/908040644.db2.gz	PCJLLDZTRQJAOG-RDTXWAMCSA-N	1	0	364.453	1.665	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]Cc1ccc2c(c1)CCC(=O)N2C	ZINC001082504852	908118423	/nfs/dbraw/zinc/11/84/23/908118423.db2.gz	NADVILWAVPFUNH-DNVCBOLYSA-N	1	0	365.477	1.946	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082506591	908135865	/nfs/dbraw/zinc/13/58/65/908135865.db2.gz	SCNDHPGCFJWPNU-FZKQIMNGSA-N	1	0	355.417	1.610	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@H]2O)cc1	ZINC001077797933	908142446	/nfs/dbraw/zinc/14/24/46/908142446.db2.gz	PTJRGLGPZRHBKY-IPMKNSEASA-N	1	0	358.438	1.043	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc[nH]c2)C3)CC1	ZINC000997309869	908230379	/nfs/dbraw/zinc/23/03/79/908230379.db2.gz	GUNQMNFJNOEDSK-SQNIBIBYSA-N	1	0	354.454	1.222	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H](C)C1CC[NH+](CC(=O)N(C)C)CC1	ZINC000997341216	908272058	/nfs/dbraw/zinc/27/20/58/908272058.db2.gz	BWMYCIORJCGQJV-AYBZRNKSSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccnn3C(C)C)C[C@H]2C)C1=O	ZINC001082533569	908300434	/nfs/dbraw/zinc/30/04/34/908300434.db2.gz	MAWYVOLUKXYBMY-BZUAXINKSA-N	1	0	359.474	1.301	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccns2)CC1	ZINC000997358078	908315451	/nfs/dbraw/zinc/31/54/51/908315451.db2.gz	VODYJFNMGKVOAL-PMPSAXMXSA-N	1	0	372.494	1.350	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)NC2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082555026	908550691	/nfs/dbraw/zinc/55/06/91/908550691.db2.gz	PBSGUJSNZYDUJL-RVKKMQEKSA-N	1	0	354.454	1.411	20	30		FDEDRO
CCn1nnc(C)c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001082555509	908554749	/nfs/dbraw/zinc/55/47/49/908554749.db2.gz	RNNDEYFHDUOOED-CXAGYDPISA-N	1	0	352.442	1.728	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082556179	908577743	/nfs/dbraw/zinc/57/77/43/908577743.db2.gz	FSNLBSZGDYYKLO-HACGYAERSA-N	1	0	358.417	1.160	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082556684	908582848	/nfs/dbraw/zinc/58/28/48/908582848.db2.gz	YRDCXAQUDONHCT-PBFPGSCMSA-N	1	0	358.417	1.160	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082575830	908739884	/nfs/dbraw/zinc/73/98/84/908739884.db2.gz	CGEMDUWLKSBFIA-SRCQZFHVSA-N	1	0	358.417	1.160	20	30		FDEDRO
C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(C#N)CCSCC1	ZINC000866974558	908820121	/nfs/dbraw/zinc/82/01/21/908820121.db2.gz	XJIXDDDPMLNQKM-LBPRGKRZSA-N	1	0	356.492	1.347	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCc3cncn3C2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082604429	908926261	/nfs/dbraw/zinc/92/62/61/908926261.db2.gz	PEDOAUUIIXXXTE-MOXGXCLJSA-N	1	0	363.465	1.954	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082599965	908960320	/nfs/dbraw/zinc/96/03/20/908960320.db2.gz	UGWVPDRKWVGQBD-FZKQIMNGSA-N	1	0	368.412	1.646	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnnn2C)C1	ZINC001082600254	908961999	/nfs/dbraw/zinc/96/19/99/908961999.db2.gz	JSEOZBRKZAFXPN-RHSMWYFYSA-N	1	0	355.442	1.630	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H]3CCN(CC)C3=O)C2)cc1	ZINC001082600433	908963093	/nfs/dbraw/zinc/96/30/93/908963093.db2.gz	WLDCQFDOZBFYEH-ATZDWAIDSA-N	1	0	371.481	1.922	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)[C@H](OC)C1	ZINC001212365891	909215343	/nfs/dbraw/zinc/21/53/43/909215343.db2.gz	QSDYEXNBTKIBMH-ARFHVFGLSA-N	1	0	365.474	1.086	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](CC3CCC(C)CC3)C[C@H]2O)nn1	ZINC001077812268	909221405	/nfs/dbraw/zinc/22/14/05/909221405.db2.gz	BABFFYGWIGQFEJ-AJTLQJAISA-N	1	0	361.490	1.455	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc3n(n2)CCCO3)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082635290	909225385	/nfs/dbraw/zinc/22/53/85/909225385.db2.gz	OGQUPFFFZBBKIN-MLGOLLRUSA-N	1	0	371.466	1.849	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCn2ccccc2=O)[C@H](OC)C1	ZINC001212368577	909253955	/nfs/dbraw/zinc/25/39/55/909253955.db2.gz	SNCQNWAATKAJPB-QZTJIDSGSA-N	1	0	361.486	1.800	20	30		FDEDRO
C[N@H+](CCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)C1CC1	ZINC000282198865	909264547	/nfs/dbraw/zinc/26/45/47/909264547.db2.gz	YUCXGWOQGMMHIK-UHFFFAOYSA-N	1	0	370.331	1.606	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@H]1C	ZINC001082659525	909374241	/nfs/dbraw/zinc/37/42/41/909374241.db2.gz	PZMBVGNKLLDSCS-OWDMVUQNSA-N	1	0	370.453	1.030	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082662591	909390137	/nfs/dbraw/zinc/39/01/37/909390137.db2.gz	LJKCVKCANSZYSX-BDJLRTHQSA-N	1	0	370.384	1.640	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@@H]1O	ZINC001083790236	909520296	/nfs/dbraw/zinc/52/02/96/909520296.db2.gz	WRZRXZTWQFWYQZ-NCOADZHNSA-N	1	0	350.484	1.433	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082694545	909640111	/nfs/dbraw/zinc/64/01/11/909640111.db2.gz	UXKPVOTYABUIOH-SRCQZFHVSA-N	1	0	358.417	1.112	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082699993	909674946	/nfs/dbraw/zinc/67/49/46/909674946.db2.gz	RCTZJNCEHRMKLM-CSMYWGQOSA-N	1	0	358.417	1.255	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnns2)CC1	ZINC000997782114	909689358	/nfs/dbraw/zinc/68/93/58/909689358.db2.gz	QJNQXTGWMALGDP-CVEARBPZSA-N	1	0	350.488	1.848	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC2CCN(C(=O)[C@H]3OCC[C@H]3CC)CC2)C1=O	ZINC000997838293	909802078	/nfs/dbraw/zinc/80/20/78/909802078.db2.gz	BAVQUVBUNBXBIU-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)C1	ZINC001082729216	909858129	/nfs/dbraw/zinc/85/81/29/909858129.db2.gz	GQUWKVNRKCJPLL-GDBMZVCRSA-N	1	0	354.516	1.604	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1=O	ZINC000997919325	909977418	/nfs/dbraw/zinc/97/74/18/909977418.db2.gz	PUXBCCQZCDMEPU-SGYMCOKNSA-N	1	0	373.497	1.025	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2nccn3ccnc23)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082750186	909988021	/nfs/dbraw/zinc/98/80/21/909988021.db2.gz	YPNNULVBVDYLBL-RHSMWYFYSA-N	1	0	360.421	1.851	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc(C(C)C)n[nH]3)C[C@H]2C)C1=O	ZINC001082757386	910019648	/nfs/dbraw/zinc/01/96/48/910019648.db2.gz	YEVATGXXWBHRQY-CKEIUWERSA-N	1	0	359.474	1.370	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cnn(CCC)c3)C[C@H]2C)C1=O	ZINC001082773210	910095148	/nfs/dbraw/zinc/09/51/48/910095148.db2.gz	APCBHBROLIRDRM-DJIMGWMZSA-N	1	0	359.474	1.130	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc4ccccn4c3)C[C@H]2C)C1=O	ZINC001082780347	910130965	/nfs/dbraw/zinc/13/09/65/910130965.db2.gz	KGILYCASGJIPEH-AYOQOUSVSA-N	1	0	366.465	1.776	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCn3cc(Cl)cn3)C2)nn1	ZINC001082791185	910192172	/nfs/dbraw/zinc/19/21/72/910192172.db2.gz	FMAKNJDLXVDWEL-TZMCWYRMSA-N	1	0	363.853	1.064	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)nn1	ZINC001082791442	910193916	/nfs/dbraw/zinc/19/39/16/910193916.db2.gz	QDJQOFKRFPUARD-RHSMWYFYSA-N	1	0	350.426	1.586	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)Cc2nonc2C)C[C@H]1C	ZINC001082833884	910393581	/nfs/dbraw/zinc/39/35/81/910393581.db2.gz	JMXHOYHUTYCTDV-SJKOYZFVSA-N	1	0	369.425	1.438	20	30		FDEDRO
CC[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001082848162	910436385	/nfs/dbraw/zinc/43/63/85/910436385.db2.gz	KTLXTIYGSVICSH-ATZDWAIDSA-N	1	0	368.481	1.896	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC(C[NH2+][C@@H]2CCCNC2=O)CC1	ZINC000998138672	910447410	/nfs/dbraw/zinc/44/74/10/910447410.db2.gz	JGIYEIDYKXCLAO-KSZLIROESA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cnn(CC)n2)CC1	ZINC000998149021	910472514	/nfs/dbraw/zinc/47/25/14/910472514.db2.gz	TXVOOQOVPJYAFV-ROUUACIJSA-N	1	0	361.490	1.607	20	30		FDEDRO
C[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1)N1CCCC1=O	ZINC001082857086	910493388	/nfs/dbraw/zinc/49/33/88/910493388.db2.gz	RRUWEJKKIAFJCJ-JTDSTZFVSA-N	1	0	368.481	1.896	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCCN(C)C2=O)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082857006	910493447	/nfs/dbraw/zinc/49/34/47/910493447.db2.gz	OJWMWITXPPEIPM-ATZDWAIDSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@H]1C	ZINC001082868706	910506366	/nfs/dbraw/zinc/50/63/66/910506366.db2.gz	PITPWAIUNAYNCR-ZWNOBZJWSA-N	1	0	354.248	1.344	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cncc(OC)n3)C2)nc1	ZINC001082870200	910517209	/nfs/dbraw/zinc/51/72/09/910517209.db2.gz	HNEFFJVNDASFJX-CXAGYDPISA-N	1	0	351.410	1.112	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)N3CCCCC3)C2)nc1	ZINC001082870232	910517247	/nfs/dbraw/zinc/51/72/47/910517247.db2.gz	JALJDOMJKIMOAW-GPMSIDNRSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3csnc3OC)C2)cn1	ZINC001082870756	910519065	/nfs/dbraw/zinc/51/90/65/910519065.db2.gz	KGEZNNBZUVOEMM-MLGOLLRUSA-N	1	0	356.451	1.778	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2cnn(C)c2)C1	ZINC001082884935	910664881	/nfs/dbraw/zinc/66/48/81/910664881.db2.gz	RYKJMRKBRCPVGD-OXQOHEQNSA-N	1	0	350.466	1.623	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCC(=O)N2C)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082891568	910679332	/nfs/dbraw/zinc/67/93/32/910679332.db2.gz	NJUTWDNSTRJLNS-OLMNPRSZSA-N	1	0	354.454	1.506	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccc(OCC)cc3)C[C@H]2C)C1=O	ZINC001082894940	910726118	/nfs/dbraw/zinc/72/61/18/910726118.db2.gz	VLCGESKVPDXMRE-ATZDWAIDSA-N	1	0	371.481	1.922	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCOC(C)C)C[C@H]2OC)CCOCC1	ZINC001212395881	910750532	/nfs/dbraw/zinc/75/05/32/910750532.db2.gz	SBEAGCQCDHWMEB-IAGOWNOFSA-N	1	0	352.475	1.047	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082911474	910855847	/nfs/dbraw/zinc/85/58/47/910855847.db2.gz	AUVHFKGNKBFHKW-CZUORRHYSA-N	1	0	356.451	1.418	20	30		FDEDRO
C=CCOCC(=O)OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1	ZINC000733487845	921613763	/nfs/dbraw/zinc/61/37/63/921613763.db2.gz	PNFRSTHFMWXWEJ-UHFFFAOYSA-N	1	0	364.467	1.920	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)COc3cccc(C)c3)C[C@H]2C)C1=O	ZINC001082917157	910904736	/nfs/dbraw/zinc/90/47/36/910904736.db2.gz	YUIYDITZFAUWNH-BHIYHBOVSA-N	1	0	371.481	1.597	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3c[nH]c4ncccc34)C[C@H]2C)C1=O	ZINC001082928818	910941259	/nfs/dbraw/zinc/94/12/59/910941259.db2.gz	GXXLBKQGMKTQAD-KBRIMQKVSA-N	1	0	367.453	1.400	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082932081	910978147	/nfs/dbraw/zinc/97/81/47/910978147.db2.gz	WXKCZRBRRYNNOH-XYPHTWIQSA-N	1	0	361.467	1.072	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCC3)C2)cc1	ZINC001082948164	911085375	/nfs/dbraw/zinc/08/53/75/911085375.db2.gz	IMQGIMQNCVYRDG-VQIMIIECSA-N	1	0	371.481	1.463	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1O	ZINC001077822102	911171513	/nfs/dbraw/zinc/17/15/13/911171513.db2.gz	YZNSFLCWDWHSTQ-MANSERQUSA-N	1	0	366.502	1.336	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C#N)C1)N1CCOCC1	ZINC001082964001	911173341	/nfs/dbraw/zinc/17/33/41/911173341.db2.gz	JCYHOMUJORJWLA-JTDSTZFVSA-N	1	0	356.470	1.215	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2nn(CC)nc2C)C[C@H]1C	ZINC001082961510	911178978	/nfs/dbraw/zinc/17/89/78/911178978.db2.gz	XXQRFWUYTRKZAT-BXKDBHETSA-N	1	0	356.268	1.565	20	30		FDEDRO
CN(C)c1cc[nH+]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1	ZINC000998664894	911417037	/nfs/dbraw/zinc/41/70/37/911417037.db2.gz	FDAHRQQIAWEYCL-HFTRVMKXSA-N	1	0	352.438	1.423	20	30		FDEDRO
C=CCC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@@H]1CCO[C@H]1C=C)CC2	ZINC001128038817	911599882	/nfs/dbraw/zinc/59/98/82/911599882.db2.gz	BILQPKFKGCRRAQ-OAGGEKHMSA-N	1	0	359.474	1.356	20	30		FDEDRO
CC1(C)CO[C@H](C[N@@H+]2C[C@H]3OCCN(C(=O)c4cc(C#N)c[nH]4)[C@H]3C2)C1	ZINC001083040551	911761410	/nfs/dbraw/zinc/76/14/10/911761410.db2.gz	SHOQAVQUSNWEBN-BHYGNILZSA-N	1	0	358.442	1.227	20	30		FDEDRO
CC#CCN1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)[C@H]2C1	ZINC001083082448	911947367	/nfs/dbraw/zinc/94/73/67/911947367.db2.gz	XZCBNKYRKUGZMO-YZGWKJHDSA-N	1	0	359.514	1.576	20	30		FDEDRO
C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC000998986275	911952310	/nfs/dbraw/zinc/95/23/10/911952310.db2.gz	FWRXAEYWWBKUOO-HCWSGVFWSA-N	1	0	356.772	1.664	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnc4cc[nH]cc-4c3=O)[C@H]2C1	ZINC001083095760	911991668	/nfs/dbraw/zinc/99/16/68/911991668.db2.gz	XEGHPBPCZQEVRS-DLBZAZTESA-N	1	0	354.410	1.024	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(-c4cccnc4)c3)[C@H]2C1	ZINC001083104619	912034506	/nfs/dbraw/zinc/03/45/06/912034506.db2.gz	KXFNILRUXIWDHB-ZWKOTPCHSA-N	1	0	353.426	1.369	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CNC(=O)c4ccccc43)[C@H]2C1	ZINC001083107881	912059654	/nfs/dbraw/zinc/05/96/54/912059654.db2.gz	DRFYPUCUWLZGAZ-GBESFXJTSA-N	1	0	369.465	1.391	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3ccc4c(c3)NC(=O)C4)[C@H]2C1	ZINC001083108304	912064407	/nfs/dbraw/zinc/06/44/07/912064407.db2.gz	KZQMCFNOMUXXEY-ZWKOTPCHSA-N	1	0	355.438	1.211	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4nnc(C)n4c3)[C@H]2C1	ZINC001083126685	912100915	/nfs/dbraw/zinc/10/09/15/912100915.db2.gz	DLVRPBMSOUFTJV-DLBZAZTESA-N	1	0	355.442	1.529	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)Cn3ncc4cc(C)cnc43)[C@H]2C1	ZINC001083144892	912204035	/nfs/dbraw/zinc/20/40/35/912204035.db2.gz	GBIYTPRYOPQKDP-DLBZAZTESA-N	1	0	355.442	1.227	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3cn4c(n3)C[C@H](OC)CC4)[C@@H]2C1	ZINC001084445884	914897995	/nfs/dbraw/zinc/89/79/95/914897995.db2.gz	LBEZQIPDRHHWML-JFIYKMOQSA-N	1	0	358.486	1.957	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](CCn4nc(C)nc4C)C[C@H]32)cc1	ZINC001084567656	915400884	/nfs/dbraw/zinc/40/08/84/915400884.db2.gz	CYHPUBXHGMXHNK-WOJBJXKFSA-N	1	0	363.465	1.723	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCN(S(C)(=O)=O)C3)C[C@H]21	ZINC001084578037	915483445	/nfs/dbraw/zinc/48/34/45/915483445.db2.gz	GRHUPUJZFBALCC-ARFHVFGLSA-N	1	0	369.531	1.013	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCCCO3)C[C@H]21	ZINC001084783508	917121311	/nfs/dbraw/zinc/12/13/11/917121311.db2.gz	UUJYWOXWCCKFJC-ZIFCJYIRSA-N	1	0	369.465	1.809	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4oc(C)nc4C)C[C@H]32)CC1	ZINC001084850968	917656618	/nfs/dbraw/zinc/65/66/18/917656618.db2.gz	GTZDFEXGCDTRQK-RTBURBONSA-N	1	0	370.497	1.669	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1	ZINC000731123110	917734323	/nfs/dbraw/zinc/73/43/23/917734323.db2.gz	FNDQDHQARRCPCF-HOTGVXAUSA-N	1	0	373.453	1.253	20	30		FDEDRO
O=C(c1ccc(=O)[nH]n1)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001084884057	917971006	/nfs/dbraw/zinc/97/10/06/917971006.db2.gz	XGUSIHCEXVUPOQ-MJGOQNOKSA-N	1	0	362.433	1.770	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cccn4C)C[C@@H]32)C1=O	ZINC001084890606	918031000	/nfs/dbraw/zinc/03/10/00/918031000.db2.gz	BLVDAZMYIXSTNY-JQHSSLGASA-N	1	0	356.470	1.348	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H]2CC[N@H+](CC(=O)N(C)C3CCCCC3)[C@H]2C1	ZINC001084904599	918185227	/nfs/dbraw/zinc/18/52/27/918185227.db2.gz	OJECTCMGJBXGAM-JZXOWHBKSA-N	1	0	360.502	1.860	20	30		FDEDRO
c1cc(-c2noc(N=NC3CC[NH+](CCN4CCOCC4)CC3)n2)ccn1	ZINC000731558546	918198461	/nfs/dbraw/zinc/19/84/61/918198461.db2.gz	XYLRRDJGVWRBLO-UHFFFAOYSA-N	1	0	371.445	1.328	20	30		FDEDRO
Cc1cc(C)n(CC[N@@H+]2CC[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]32)n1	ZINC001084921814	918364061	/nfs/dbraw/zinc/36/40/61/918364061.db2.gz	WCPJWRISRFCJMS-APWZRJJASA-N	1	0	366.469	1.936	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)CCn3ccnn3)C[C@@H]21	ZINC001084928955	918379462	/nfs/dbraw/zinc/37/94/62/918379462.db2.gz	WVUGHMPFIUAUKQ-APWZRJJASA-N	1	0	364.453	1.663	20	30		FDEDRO
Cn1nncc1C(=O)N1CC[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@H]2C1	ZINC001084932878	918493268	/nfs/dbraw/zinc/49/32/68/918493268.db2.gz	UVEOLXUBQVZHPU-AEFFLSMTSA-N	1	0	350.426	1.423	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2CC[N@H+](C)C2)cc1	ZINC000731895311	918759927	/nfs/dbraw/zinc/75/99/27/918759927.db2.gz	OERIHCCERGIAHE-LAVFMPCWSA-N	1	0	364.471	1.390	20	30		FDEDRO
COc1cc2c(cc1C=NNC(=S)NCCC[NH+](C)C)O[C@H](C)C2	ZINC000731929299	918850547	/nfs/dbraw/zinc/85/05/47/918850547.db2.gz	UZGFUMGRTQUQSX-GFCCVEGCSA-N	1	0	350.488	1.768	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cn4c(n3)C[C@@H](OC)CC4)C[C@@H]21	ZINC001084969240	918956931	/nfs/dbraw/zinc/95/69/31/918956931.db2.gz	BDEPFCVFYSGRRS-RYRKJORJSA-N	1	0	356.470	1.404	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cnc4ccccn4c3=O)C[C@@H]21	ZINC001084973252	918989233	/nfs/dbraw/zinc/98/92/33/918989233.db2.gz	CBOHBVQSSJUDEU-WBVHZDCISA-N	1	0	350.422	1.254	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccnc(N4CCCC4)n3)C[C@@H]21	ZINC001084974938	919045910	/nfs/dbraw/zinc/04/59/10/919045910.db2.gz	BSAGDVSUUXAASB-AEFFLSMTSA-N	1	0	353.470	1.637	20	30		FDEDRO
CN(CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O)[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000732188041	919160243	/nfs/dbraw/zinc/16/02/43/919160243.db2.gz	DOIWPHWRBPUVII-YLJYHZDGSA-N	1	0	367.453	1.451	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cnc4sccn4c3=O)C[C@@H]21	ZINC001084983700	919198999	/nfs/dbraw/zinc/19/89/99/919198999.db2.gz	ICMGDHXDYWUTOM-HIFRSBDPSA-N	1	0	356.451	1.316	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnoc3-c3cnn(C)c3)C[C@@H]21	ZINC001084997695	919439860	/nfs/dbraw/zinc/43/98/60/919439860.db2.gz	RWQQSFXDRBXWGO-PBHICJAKSA-N	1	0	353.426	1.635	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4cncn4)nc3)C[C@@H]21	ZINC001085002565	919490158	/nfs/dbraw/zinc/49/01/58/919490158.db2.gz	QCSQLCZJNLLMLX-WBVHZDCISA-N	1	0	350.426	1.222	20	30		FDEDRO
Cn1c(C(=O)N2CC[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)[C@H]3C2)c[nH]c1=O	ZINC001085006220	919570123	/nfs/dbraw/zinc/57/01/23/919570123.db2.gz	GDJYSCFYMFVMJK-AEFFLSMTSA-N	1	0	365.437	1.734	20	30		FDEDRO
O=C([C@H]1[C@@H]2COC[C@@H]21)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001085009762	919601860	/nfs/dbraw/zinc/60/18/60/919601860.db2.gz	ZLEYLGQBVVFAMS-MJCUULBUSA-N	1	0	350.462	1.853	20	30		FDEDRO
CC(C)(C)[N@@H+]1CCCN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CC1	ZINC000732466533	919652452	/nfs/dbraw/zinc/65/24/52/919652452.db2.gz	OOSNXFTYYRCHMU-FOCLMDBBSA-N	1	0	363.462	1.029	20	30		FDEDRO
Cn1cc(C(=O)N2CC[C@H]3CC[N@H+](Cc4ccccc4C#N)[C@H]3C2)[nH]c1=O	ZINC001085022741	919776606	/nfs/dbraw/zinc/77/66/06/919776606.db2.gz	IVMPRRCRRUNHGJ-KDOFPFPSSA-N	1	0	365.437	1.734	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cnc(C)nc3)[C@H]2C1	ZINC001085038084	919967304	/nfs/dbraw/zinc/96/73/04/919967304.db2.gz	VGVSERZKGVHUNO-YRXWBPOGSA-N	1	0	356.470	1.799	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)cc1	ZINC000732871054	920275872	/nfs/dbraw/zinc/27/58/72/920275872.db2.gz	BQIZUJMPEPVUEW-MOPGFXCFSA-N	1	0	371.481	1.969	20	30		FDEDRO
C=C(Cl)CN1CC[C@@H]2CCN(C(=O)[C@@H]3CCN(C(=O)CC)C3)C[C@@H]21	ZINC001085070228	920444737	/nfs/dbraw/zinc/44/47/37/920444737.db2.gz	SMHZDMRITIUESK-OAGGEKHMSA-N	1	0	353.894	1.920	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4c([nH]c3=O)CCOC4)C[C@@H]21	ZINC001085072321	920487621	/nfs/dbraw/zinc/48/76/21/920487621.db2.gz	SVXCETHULQILQT-KDOFPFPSSA-N	1	0	357.454	1.972	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(NC(=O)NC)c3)C[C@@H]21	ZINC001085074457	920529123	/nfs/dbraw/zinc/52/91/23/920529123.db2.gz	GCMRRBUYQNVRMJ-QAPCUYQASA-N	1	0	354.454	1.998	20	30		FDEDRO
Cn1cncc1CC(=O)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001085074840	920534517	/nfs/dbraw/zinc/53/45/17/920534517.db2.gz	FJVGTALVFHFYSL-CTNGQTDRSA-N	1	0	362.477	1.937	20	30		FDEDRO
N#Cc1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CCC(=O)N4)C[C@@H]32)ccc1F	ZINC001085078658	920545372	/nfs/dbraw/zinc/54/53/72/920545372.db2.gz	FNQZWLLQJOVISI-JLSDUUJJSA-N	1	0	370.428	1.399	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C(=O)N(C)C)cc3)C[C@@H]21	ZINC001085077480	920576566	/nfs/dbraw/zinc/57/65/66/920576566.db2.gz	DSSPRBILDKQJGN-APWZRJJASA-N	1	0	353.466	1.948	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4cnnn4)cc3)C[C@@H]21	ZINC001085088723	920765657	/nfs/dbraw/zinc/76/56/57/920765657.db2.gz	ZIYRPNCQPNFKMF-QAPCUYQASA-N	1	0	352.442	1.775	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)COc3cccc(C(N)=O)c3)C[C@@H]21	ZINC001085099485	920902651	/nfs/dbraw/zinc/90/26/51/920902651.db2.gz	VVMHTQGCZBNPIJ-QAPCUYQASA-N	1	0	357.454	1.663	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C(=O)C(C)C)C[C@@H]21	ZINC001085099675	920905568	/nfs/dbraw/zinc/90/55/68/920905568.db2.gz	FODMVEZTTINWIQ-QYZOEREBSA-N	1	0	359.514	1.970	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)CCC3CCN(C(C)=O)CC3)C[C@@H]21	ZINC001085098356	920933137	/nfs/dbraw/zinc/93/31/37/920933137.db2.gz	MWXSISPWZBRDPO-UXHICEINSA-N	1	0	359.514	1.971	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnccc2C)C1=O	ZINC001085158565	921868008	/nfs/dbraw/zinc/86/80/08/921868008.db2.gz	JQNUHWNWGSZADV-KZNAEPCWSA-N	1	0	356.470	1.808	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C#N)c[nH]2)C1=O	ZINC001085162333	921905460	/nfs/dbraw/zinc/90/54/60/921905460.db2.gz	MDZFWKBUISPKOF-BZUAXINKSA-N	1	0	355.442	1.304	20	30		FDEDRO
Cc1nc(C)n(CC[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C#N)c[nH]2)n1	ZINC001085163999	921911282	/nfs/dbraw/zinc/91/12/82/921911282.db2.gz	KHTNITRNFIDUHB-HZPDHXFCSA-N	1	0	355.446	1.426	20	30		FDEDRO
C[NH+](C)C1(C)CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1	ZINC000823653376	921969778	/nfs/dbraw/zinc/96/97/78/921969778.db2.gz	VTMSWUKJFLJIIW-UHFFFAOYSA-N	1	0	352.442	1.882	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COCCN1C	ZINC001085175660	922000453	/nfs/dbraw/zinc/00/04/53/922000453.db2.gz	WZLLZKJGMOJKKK-MCIONIFRSA-N	1	0	360.296	1.243	20	30		FDEDRO
CC(C)N1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(C#N)c2)C1=O	ZINC001085176805	922007434	/nfs/dbraw/zinc/00/74/34/922007434.db2.gz	XLQYGQHQMQPOAY-BRWVUGGUSA-N	1	0	357.458	1.526	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c(C)ccn2C)C1=O	ZINC001085182238	922043279	/nfs/dbraw/zinc/04/32/79/922043279.db2.gz	QBFAWCPAPGWOLL-BRWVUGGUSA-N	1	0	358.486	1.751	20	30		FDEDRO
CC1CC[NH+](CCCCNC(=O)CCNC(=O)C2N=CC=CC2=O)CC1	ZINC000733890746	922274107	/nfs/dbraw/zinc/27/41/07/922274107.db2.gz	UBBZDJFSQBTEDU-VHEBQXMUSA-N	1	0	362.474	1.531	20	30		FDEDRO
C=CCC1(C(=O)N2CCO[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CCC1	ZINC001065581438	922364127	/nfs/dbraw/zinc/36/41/27/922364127.db2.gz	GMRISZRFXIGVJU-BRWVUGGUSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCCC1(C(=O)N2CCO[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1	ZINC001065581629	922364722	/nfs/dbraw/zinc/36/47/22/922364722.db2.gz	KJFQIULQJMGTPW-IXDOHACOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2cnccc2C)C1=O	ZINC001085229679	922982097	/nfs/dbraw/zinc/98/20/97/922982097.db2.gz	DZLVLIZLGPUEGB-GUDVDZBRSA-N	1	0	370.497	1.736	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccns1	ZINC001085230383	922988561	/nfs/dbraw/zinc/98/85/61/922988561.db2.gz	SZEQNZVZARAPSB-KURKYZTESA-N	1	0	360.527	1.800	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@@H+](CCO)CCCCOC)CC1	ZINC001098368427	923305500	/nfs/dbraw/zinc/30/55/00/923305500.db2.gz	NIWFGAZNYOOQBR-MOPGFXCFSA-N	1	0	368.518	1.680	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CCCCS1(=O)=O	ZINC001085275702	923417744	/nfs/dbraw/zinc/41/77/44/923417744.db2.gz	UVIVBGBXKORAJK-ZIAGYGMSSA-N	1	0	363.911	1.182	20	30		FDEDRO
CCn1cc(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)nn1	ZINC001085281771	923484251	/nfs/dbraw/zinc/48/42/51/923484251.db2.gz	KNYVQLMNKDAZHN-RTBURBONSA-N	1	0	366.469	1.929	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cn(C)nc1OC	ZINC001085295535	923593459	/nfs/dbraw/zinc/59/34/59/923593459.db2.gz	LOGCBDHNUPEWLS-CHWSQXEVSA-N	1	0	371.279	1.968	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnc(C)n2C)C1=O	ZINC001085310804	923754206	/nfs/dbraw/zinc/75/42/06/923754206.db2.gz	QDLKKGHVXHWCIW-BZUAXINKSA-N	1	0	359.474	1.146	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ocnc2CC)C1=O	ZINC001085325872	923916553	/nfs/dbraw/zinc/91/65/53/923916553.db2.gz	KCLLOPAIXSIXDS-OAGGEKHMSA-N	1	0	360.458	1.655	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCn2nc(C)nc2C)c1	ZINC001085325922	923916968	/nfs/dbraw/zinc/91/69/68/923916968.db2.gz	MUONRCBDAKDIIG-RTBURBONSA-N	1	0	366.469	1.602	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCc2ccnn2C)nn1	ZINC001085358804	924172683	/nfs/dbraw/zinc/17/26/83/924172683.db2.gz	UFTPTYNTMZQONY-IAGOWNOFSA-N	1	0	371.489	1.461	20	30		FDEDRO
C[C@@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)[C@H]1C[N@H+](C)CCN1C	ZINC000826791947	924308335	/nfs/dbraw/zinc/30/83/35/924308335.db2.gz	YKARQUSZAPBWOI-CXAGYDPISA-N	1	0	353.426	1.577	20	30		FDEDRO
C[C@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)[C@@H]1C[N@H+](C)CCN1C	ZINC000826791949	924308571	/nfs/dbraw/zinc/30/85/71/924308571.db2.gz	YKARQUSZAPBWOI-GUYCJALGSA-N	1	0	353.426	1.577	20	30		FDEDRO
C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1	ZINC000826776960	924325192	/nfs/dbraw/zinc/32/51/92/924325192.db2.gz	CQCWJMKFEYOYMN-KDOFPFPSSA-N	1	0	362.861	1.315	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc(CC)n2C)cn1	ZINC001085398926	924450996	/nfs/dbraw/zinc/45/09/96/924450996.db2.gz	HYRBEJOUHGHCKG-IAGOWNOFSA-N	1	0	366.469	1.585	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCn1cncn1	ZINC001085406731	924509377	/nfs/dbraw/zinc/50/93/77/924509377.db2.gz	UWISNAWUTJGPTC-RTBURBONSA-N	1	0	351.454	1.519	20	30		FDEDRO
CC(=O)N1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001085407529	924514968	/nfs/dbraw/zinc/51/49/68/924514968.db2.gz	LHSVPRYEBPMMMV-XUVXKRRUSA-N	1	0	368.481	1.944	20	30		FDEDRO
Cn1nc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)ccc1=O	ZINC001085414720	924545062	/nfs/dbraw/zinc/54/50/62/924545062.db2.gz	KYGJWYKGWZQYNV-IAGOWNOFSA-N	1	0	365.437	1.483	20	30		FDEDRO
Cn1nc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)ccc1=O	ZINC001085414671	924545087	/nfs/dbraw/zinc/54/50/87/924545087.db2.gz	IOHVEIKCJWMMGU-IAGOWNOFSA-N	1	0	365.437	1.483	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cncnc2CC)C1=O	ZINC001085425419	924624807	/nfs/dbraw/zinc/62/48/07/924624807.db2.gz	NKLRBTUSKWNMMF-KURKYZTESA-N	1	0	371.485	1.457	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)N[C@@H]2CCOc3ccccc32)CC1	ZINC000735939327	924686506	/nfs/dbraw/zinc/68/65/06/924686506.db2.gz	DWNOMTKLHXHARP-QGZVFWFLSA-N	1	0	356.422	1.515	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCNC2=O)cc1	ZINC001085434248	924698154	/nfs/dbraw/zinc/69/81/54/924698154.db2.gz	ATIFJTAZDLQNPK-QRVBRYPASA-N	1	0	371.481	1.699	20	30		FDEDRO
C[NH+](C)CC1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1	ZINC000738077356	925090205	/nfs/dbraw/zinc/09/02/05/925090205.db2.gz	SXFXKFIPYXGGEC-UHFFFAOYSA-N	1	0	369.469	1.554	20	30		FDEDRO
C=CCCCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC001108216796	925354472	/nfs/dbraw/zinc/35/44/72/925354472.db2.gz	LUSBCLWJRKKQNR-FUHIMQAGSA-N	1	0	365.518	1.842	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCCN2S(=O)(=O)CCC)CC1	ZINC000740735812	925420182	/nfs/dbraw/zinc/42/01/82/925420182.db2.gz	QFVHCFDLTYMLEU-KRWDZBQOSA-N	1	0	369.531	1.185	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000740736842	925421033	/nfs/dbraw/zinc/42/10/33/925421033.db2.gz	OXMWDGXEGQRQHP-UHFFFAOYSA-N	1	0	353.422	1.277	20	30		FDEDRO
C#CCCN1CCO[C@@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1	ZINC001108231598	925713455	/nfs/dbraw/zinc/71/34/55/925713455.db2.gz	YCPMUVPSJGAGIN-URVUXULASA-N	1	0	369.509	1.562	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccnc(OC)n2)C1	ZINC001086089196	925944384	/nfs/dbraw/zinc/94/43/84/925944384.db2.gz	MKWVTKBDBXZOMC-XBVQOTNRSA-N	1	0	360.458	1.451	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)C1=O	ZINC001086092865	925948899	/nfs/dbraw/zinc/94/88/99/925948899.db2.gz	NGRLQFXBDXHPDI-NYLIBXOJSA-N	1	0	357.498	1.860	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@]34CCC[C@H]3OCC4)C2)C1=O	ZINC001086146508	926124212	/nfs/dbraw/zinc/12/42/12/926124212.db2.gz	MBLOGFYUVITZNY-JZBZHOAESA-N	1	0	361.486	1.217	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnc(C)nc2C)[C@@H](n2ccnn2)C1	ZINC001129326805	926143616	/nfs/dbraw/zinc/14/36/16/926143616.db2.gz	MBVIUDMABHJUPB-VHSSKADRSA-N	1	0	369.473	1.695	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2c[nH]c(=O)c(Br)c2)CC1	ZINC000743493237	926378926	/nfs/dbraw/zinc/37/89/26/926378926.db2.gz	KNOPZBYYOAAGIY-UHFFFAOYSA-N	1	0	352.232	1.767	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1	ZINC000743944953	926506295	/nfs/dbraw/zinc/50/62/95/926506295.db2.gz	OTOISWGXLHLUAL-SFHVURJKSA-N	1	0	355.438	1.366	20	30		FDEDRO
COC(=O)CC[N@H+](CCC(=O)Nc1ccccc1C#N)C1CCOCC1	ZINC000744426992	926677379	/nfs/dbraw/zinc/67/73/79/926677379.db2.gz	MVFSPESMDVVUEY-UHFFFAOYSA-N	1	0	359.426	1.931	20	30		FDEDRO
C#CCN(CC#CC)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000745798470	927419348	/nfs/dbraw/zinc/41/93/48/927419348.db2.gz	CQQIPEXSVBPOHD-HXUWFJFHSA-N	1	0	352.482	1.643	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2nnc(C(C)(C)C)[nH]2)C1	ZINC001086480809	927517074	/nfs/dbraw/zinc/51/70/74/927517074.db2.gz	ABPSUOXFFBSFEV-TUVASFSCSA-N	1	0	361.490	1.678	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCN2CCCC2=O)C1	ZINC001086500793	927663113	/nfs/dbraw/zinc/66/31/13/927663113.db2.gz	UAZYNWUTUIYGKT-DWRORGKVSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1	ZINC001086503832	927711553	/nfs/dbraw/zinc/71/15/53/927711553.db2.gz	PXHRNXGPNJHHCV-WSRJKRBPSA-N	1	0	363.502	1.368	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000746267624	927727717	/nfs/dbraw/zinc/72/77/17/927727717.db2.gz	QRRGKJHTXNUHKI-JOCHJYFZSA-N	1	0	364.445	1.952	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccccc2SCC#N)CC1	ZINC000766345030	927883875	/nfs/dbraw/zinc/88/38/75/927883875.db2.gz	LXQNLAHWLQLUTM-INIZCTEOSA-N	1	0	372.494	1.681	20	30		FDEDRO
N#CCn1cc(NC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)cn1	ZINC000746435247	927996865	/nfs/dbraw/zinc/99/68/65/927996865.db2.gz	FLCJECWQXHBWHI-UHFFFAOYSA-N	1	0	358.446	1.258	20	30		FDEDRO
C[C@H]1CN(Cn2cc3c(c(C#N)c2=O)CCC3)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000766631356	928361782	/nfs/dbraw/zinc/36/17/82/928361782.db2.gz	GDZPYTKPOVTSMT-JXFKEZNVSA-N	1	0	369.513	1.124	20	30		FDEDRO
C=CC[NH+](CC=C)CCN1CCN([C@H]2CC[C@@H](C(=O)OCC)OC2)CC1	ZINC001169418739	928569524	/nfs/dbraw/zinc/56/95/24/928569524.db2.gz	OQAQZPDDBLLCKG-OALUTQOASA-N	1	0	365.518	1.389	20	30		FDEDRO
C#C[C@H]([NH2+]C[C@@]1(O)CCCN(C(=O)OCc2ccccc2)C1)[C@H]1CCCO1	ZINC001169494075	928680002	/nfs/dbraw/zinc/68/00/02/928680002.db2.gz	CFCGJESVUIOIID-ZVDOUQERSA-N	1	0	372.465	1.921	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2ncccn2)[C@@H](n2ccnn2)C1	ZINC001129337509	928766926	/nfs/dbraw/zinc/76/69/26/928766926.db2.gz	KSGIHZIOLPGUKL-CVEARBPZSA-N	1	0	357.462	1.694	20	30		FDEDRO
C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@@H+]([C@@H]1CCCN(C(C)=O)C1)C2	ZINC001169604139	928778942	/nfs/dbraw/zinc/77/89/42/928778942.db2.gz	BKVJQCJBIKCZCZ-UYAOXDASSA-N	1	0	362.518	1.180	20	30		FDEDRO
CC(=O)N1CCC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3C#N)CC2)C1	ZINC001169588725	928795366	/nfs/dbraw/zinc/79/53/66/928795366.db2.gz	LKJDMOJGMAYREZ-SFHVURJKSA-N	1	0	354.454	1.763	20	30		FDEDRO
CCOC(=O)N1CCC[C@@H](NC(=[NH2+])c2ccc(S(C)(=O)=O)cc2)CC1	ZINC001169661422	928831324	/nfs/dbraw/zinc/83/13/24/928831324.db2.gz	JHMKAICOUYTFJD-CQSZACIVSA-N	1	0	367.471	1.806	20	30		FDEDRO
C=CCCCCC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CC[C@@H](C)O3)CC2=O)C1	ZINC001108572829	928936673	/nfs/dbraw/zinc/93/66/73/928936673.db2.gz	GCRYZJMSRVAWAA-JFIYKMOQSA-N	1	0	363.502	1.702	20	30		FDEDRO
C=CCN1C(=O)CCC12CC[NH+](C1CCC(S(C)(=O)=O)CC1)CC2	ZINC001169882468	928941504	/nfs/dbraw/zinc/94/15/04/928941504.db2.gz	NIMYNDDBBBGIBC-UHFFFAOYSA-N	1	0	354.516	1.985	20	30		FDEDRO
C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1	ZINC001108718161	929119566	/nfs/dbraw/zinc/11/95/66/929119566.db2.gz	LGDBOCTZTCFAPH-QGTPRVQTSA-N	1	0	364.453	1.610	20	30		FDEDRO
C#C[C@@H](C)N(C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-]	ZINC000767440958	929265968	/nfs/dbraw/zinc/26/59/68/929265968.db2.gz	XTLKDUZXDXKFTO-CYBMUJFWSA-N	1	0	368.459	1.283	20	30		FDEDRO
O=[N+]([O-])c1cc(N=NC2CC[NH+](CCN3CCOCC3)CC2)ccc1F	ZINC000769829906	929711766	/nfs/dbraw/zinc/71/17/66/929711766.db2.gz	KMOJDEVWNHWNLT-UHFFFAOYSA-N	1	0	365.409	1.930	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1Cc3cncn3C(=O)N1)C2	ZINC001109547071	929726411	/nfs/dbraw/zinc/72/64/11/929726411.db2.gz	JLMHOUFNCQZPOU-UBDQQSCGSA-N	1	0	371.485	1.833	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCC1=O	ZINC001109566828	929794540	/nfs/dbraw/zinc/79/45/40/929794540.db2.gz	UOQCKSLCOLEHDL-YLAKUSLOSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)N(C)C	ZINC001109605821	929929789	/nfs/dbraw/zinc/92/97/89/929929789.db2.gz	SLPMTVQZVYMADS-ILXRZTDVSA-N	1	0	357.520	1.202	20	30		FDEDRO
C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCN2C(=O)CNC2=O)CCC1	ZINC001109680526	930121254	/nfs/dbraw/zinc/12/12/54/930121254.db2.gz	MTGBFIOTANTFTI-PMPSAXMXSA-N	1	0	374.485	1.396	20	30		FDEDRO
COC(=O)C[C@]1([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCCOC1	ZINC000770701046	930212230	/nfs/dbraw/zinc/21/22/30/930212230.db2.gz	QGDGXCPWQWFVIV-QGZVFWFLSA-N	1	0	366.439	1.034	20	30		FDEDRO
COC(=O)C[C@@]1([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CCCOC1	ZINC000770703709	930215266	/nfs/dbraw/zinc/21/52/66/930215266.db2.gz	ZCQSUJPUALXCCC-LPHOPBHVSA-N	1	0	362.426	1.194	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1	ZINC000770790682	930261926	/nfs/dbraw/zinc/26/19/26/930261926.db2.gz	GIFGJODRWSDXIC-HOTGVXAUSA-N	1	0	358.504	1.325	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C2	ZINC001109733521	930271079	/nfs/dbraw/zinc/27/10/79/930271079.db2.gz	SOEGEILVTUCFMZ-OWSLCNJRSA-N	1	0	364.534	1.473	20	30		FDEDRO
CC[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1	ZINC001109745588	930309421	/nfs/dbraw/zinc/30/94/21/930309421.db2.gz	UNJAPTHTMDKIOS-YRXWBPOGSA-N	1	0	354.454	1.694	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(NC(N)=O)CCCCC1)C2	ZINC001109798974	930440129	/nfs/dbraw/zinc/44/01/29/930440129.db2.gz	BSLCVHSRSZCUGH-PMPSAXMXSA-N	1	0	364.490	1.282	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCOC	ZINC001109806325	930468381	/nfs/dbraw/zinc/46/83/81/930468381.db2.gz	WWEJBAOMZFKVCD-OWSLCNJRSA-N	1	0	351.491	1.605	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCOC	ZINC001109826589	930530544	/nfs/dbraw/zinc/53/05/44/930530544.db2.gz	OZAIRFHCJPYZAW-FPSMNIFISA-N	1	0	352.475	1.352	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(C(=O)COc3cccc(C#N)c3)CC2)CC1	ZINC000771293856	930572683	/nfs/dbraw/zinc/57/26/83/930572683.db2.gz	CJZDPHWUNKXZFJ-UHFFFAOYSA-N	1	0	370.497	1.954	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC(=O)N(CC)CC)C2	ZINC001109852367	930596198	/nfs/dbraw/zinc/59/61/98/930596198.db2.gz	XBWVFYZSZHOQSS-SQNIBIBYSA-N	1	0	365.518	1.949	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)c1cscn1)C2	ZINC001109939493	930826468	/nfs/dbraw/zinc/82/64/68/930826468.db2.gz	NTAIFIAOCJYIIB-FQLMCAECSA-N	1	0	362.499	1.949	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1CCCC)C2	ZINC001109958192	930872983	/nfs/dbraw/zinc/87/29/83/930872983.db2.gz	YNAQZVKKBHBGRY-XWSJACJDSA-N	1	0	374.529	1.112	20	30		FDEDRO
CN(C)C(=O)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)CC1	ZINC001109963028	930919232	/nfs/dbraw/zinc/91/92/32/930919232.db2.gz	OHMNVXVLXQATIA-SQNIBIBYSA-N	1	0	366.465	1.648	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)C2	ZINC001109973659	930952921	/nfs/dbraw/zinc/95/29/21/930952921.db2.gz	PTSRWVTZUYXWTL-YCPHGPKFSA-N	1	0	372.473	1.723	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1	ZINC000772112427	931080610	/nfs/dbraw/zinc/08/06/10/931080610.db2.gz	AIYIZZHXYPLPTL-QGZVFWFLSA-N	1	0	371.393	1.589	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)NCCc2ccc(F)cc2)CC1	ZINC000772116852	931082805	/nfs/dbraw/zinc/08/28/05/931082805.db2.gz	ZMYLIEUBTQPJPV-OAHLLOKOSA-N	1	0	360.429	1.761	20	30		FDEDRO
CC[NH+](CC)CCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000772190529	931140055	/nfs/dbraw/zinc/14/00/55/931140055.db2.gz	HOFUTFJPSNXAPY-CYBMUJFWSA-N	1	0	353.444	1.110	20	30		FDEDRO
C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](O)COC)CCOCC1	ZINC001110046913	931246674	/nfs/dbraw/zinc/24/66/74/931246674.db2.gz	DAZXBFSGMQXRQA-NCOADZHNSA-N	1	0	352.475	1.088	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1csc(C)c1)C2	ZINC001112545839	931433893	/nfs/dbraw/zinc/43/38/93/931433893.db2.gz	GUAQMNGVOVERAV-LPHOPBHVSA-N	1	0	359.495	1.638	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C)nc(C)n1)C2	ZINC001112545285	931454301	/nfs/dbraw/zinc/45/43/01/931454301.db2.gz	ZWLSFYWJDLZHSP-JXFKEZNVSA-N	1	0	371.485	1.228	20	30		FDEDRO
C#CC[N@@H+](C)[C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1	ZINC001170048068	931469985	/nfs/dbraw/zinc/46/99/85/931469985.db2.gz	KKFDLGKRYPSCST-KBPBESRZSA-N	1	0	353.488	1.462	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(N3CCOCC3)CCC1)C2	ZINC001112554431	931520248	/nfs/dbraw/zinc/52/02/48/931520248.db2.gz	RDHGLJSDEYTWPB-ICSRJNTNSA-N	1	0	359.514	1.483	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC13CCCC3)C2	ZINC001112557002	931543995	/nfs/dbraw/zinc/54/39/95/931543995.db2.gz	ISAJLJPLVAODSC-FIKGOQFSSA-N	1	0	357.498	1.534	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CCCS(=O)(=O)C1)C2	ZINC001112558495	931578309	/nfs/dbraw/zinc/57/83/09/931578309.db2.gz	KFPGWFHMHWDGOI-LNLFQRSKSA-N	1	0	368.543	1.996	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CCCS(=O)(=O)C1)C2	ZINC001112559185	931583222	/nfs/dbraw/zinc/58/32/22/931583222.db2.gz	MUGSNGXMJCAMSU-BQFCYCMXSA-N	1	0	352.500	1.053	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@@H](CC)C(N)=O)C2)cn1	ZINC001112566020	931616901	/nfs/dbraw/zinc/61/69/01/931616901.db2.gz	FZZUXGLVOIMRGD-KNBMTAEXSA-N	1	0	354.454	1.159	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)c1ccc(F)cc1)C2	ZINC001112574252	931680769	/nfs/dbraw/zinc/68/07/69/931680769.db2.gz	XFJUEALFGLGENN-JXFKEZNVSA-N	1	0	359.445	1.960	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccccc1-n1cnnn1)C2	ZINC001112576726	931688587	/nfs/dbraw/zinc/68/85/87/931688587.db2.gz	DLTOZTVZRLKLOW-KXBFYZLASA-N	1	0	350.426	1.127	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)C2	ZINC001112577046	931690201	/nfs/dbraw/zinc/69/02/01/931690201.db2.gz	WZBOGJKXGIJAMU-FIKGOQFSSA-N	1	0	357.498	1.629	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c(C)n[nH]c1C)C2	ZINC001112577653	931693407	/nfs/dbraw/zinc/69/34/07/931693407.db2.gz	XEKMSMCDMMIGQR-PXNSSMCTSA-N	1	0	358.486	1.437	20	30		FDEDRO
C[NH+](C)CCc1ccc(CNc2ccc(S(N)(=O)=O)cc2C#N)cc1	ZINC000786079951	931763357	/nfs/dbraw/zinc/76/33/57/931763357.db2.gz	WPJMFXSTQMQALT-UHFFFAOYSA-N	1	0	358.467	1.922	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCN1C(C)=O)C2	ZINC001112587009	931781408	/nfs/dbraw/zinc/78/14/08/931781408.db2.gz	AVVPQHFLTMHBAX-NSHGMRRFSA-N	1	0	363.502	1.418	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCc3sccc3C1)C2	ZINC001112584776	931786315	/nfs/dbraw/zinc/78/63/15/931786315.db2.gz	JTLKTWIOZGHWIN-PXNSSMCTSA-N	1	0	357.523	1.958	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cnn(CC)n2)C1	ZINC001112588652	931798299	/nfs/dbraw/zinc/79/82/99/931798299.db2.gz	MZHNAZLRAAPBIA-LPHOPBHVSA-N	1	0	361.490	1.609	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(C)C(C)C)C1	ZINC001112588992	931801383	/nfs/dbraw/zinc/80/13/83/931801383.db2.gz	FZPYYDJXXQYQFT-UWVAXJGDSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)C(=O)N(C)C)C1	ZINC001112589210	931802082	/nfs/dbraw/zinc/80/20/82/931802082.db2.gz	PGDVUWYNKJELSP-BXWFABGCSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cc(OC)no2)C1	ZINC001112589405	931802588	/nfs/dbraw/zinc/80/25/88/931802588.db2.gz	YGZGWDVBBCPITD-KXBFYZLASA-N	1	0	363.458	1.994	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnn(C)c1C1CC1)C2	ZINC001112591150	931819476	/nfs/dbraw/zinc/81/94/76/931819476.db2.gz	MHMWBXCBQVKAQV-UWJYYQICSA-N	1	0	370.497	1.779	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccnc(-n3cncn3)c1)C2	ZINC001112590746	931840976	/nfs/dbraw/zinc/84/09/76/931840976.db2.gz	ONLQDLCFISDMAR-PXNSSMCTSA-N	1	0	364.453	1.518	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)NCC(=O)c2ccccc2)CC1	ZINC000786293415	931862908	/nfs/dbraw/zinc/86/29/08/931862908.db2.gz	VTBQKJZCZCPOLL-OAHLLOKOSA-N	1	0	356.422	1.262	20	30		FDEDRO
C[C@H](OC(=O)c1c[nH]c(C#N)c1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000786906140	932085717	/nfs/dbraw/zinc/08/57/17/932085717.db2.gz	CZOWEBORENTGGZ-YOEHRIQHSA-N	1	0	366.421	1.822	20	30		FDEDRO
C[NH+](C)CCCNC(=S)NN=C1CCOc2ccc([N+](=O)[O-])cc21	ZINC000788429629	932692029	/nfs/dbraw/zinc/69/20/29/932692029.db2.gz	LLHVCIWWIHGQQS-UHFFFAOYSA-N	1	0	351.432	1.497	20	30		FDEDRO
N#CCCn1cc(CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(-c2ccncc2)n1	ZINC000788512711	932719878	/nfs/dbraw/zinc/71/98/78/932719878.db2.gz	MZCASFGCPWWXKF-RTBURBONSA-N	1	0	366.469	1.812	20	30		FDEDRO
COc1ccc(CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1C#N	ZINC000746775331	932868503	/nfs/dbraw/zinc/86/85/03/932868503.db2.gz	JMPBWJFYCFXNEC-UHFFFAOYSA-N	1	0	372.469	1.821	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)n1	ZINC000789074436	932925662	/nfs/dbraw/zinc/92/56/62/932925662.db2.gz	FLJVWODJFDDNOH-WBVHZDCISA-N	1	0	359.474	1.300	20	30		FDEDRO
N#Cc1ccccc1CN1C(=O)CN(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)C1=O	ZINC000789509482	933064674	/nfs/dbraw/zinc/06/46/74/933064674.db2.gz	UOSKZBQRRYCAQO-MSOLQXFVSA-N	1	0	368.437	1.923	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)CN(C[N@@H+]3CCC[C@@H]3[C@@H]3CCCO3)C2=O)cc1	ZINC000789516189	933067466	/nfs/dbraw/zinc/06/74/66/933067466.db2.gz	UJOQFSJRYATHPB-MSOLQXFVSA-N	1	0	368.437	1.923	20	30		FDEDRO
C#CCSCCNC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C	ZINC000789524015	933073772	/nfs/dbraw/zinc/07/37/72/933073772.db2.gz	DHTXJQUQMHRDST-OAHLLOKOSA-N	1	0	361.467	1.493	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)CN(C[N@@H+]3CC[C@]4(C3)CCCOC4)C2=O)cc1	ZINC000789544549	933081378	/nfs/dbraw/zinc/08/13/78/933081378.db2.gz	HGBBFXGGYZCPFU-FQEVSTJZSA-N	1	0	368.437	1.782	20	30		FDEDRO
N#Cc1cccc(-c2cc(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)on2)c1	ZINC000789919615	933239463	/nfs/dbraw/zinc/23/94/63/933239463.db2.gz	PSVWXHGDUSCAKF-HZPDHXFCSA-N	1	0	352.394	1.806	20	30		FDEDRO
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(S(=O)(=O)CC(C)(C)C#N)CC1	ZINC000790014431	933317300	/nfs/dbraw/zinc/31/73/00/933317300.db2.gz	IADRFRSQGBLAPU-HZPDHXFCSA-N	1	0	356.536	1.356	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)C1	ZINC001086590902	933711667	/nfs/dbraw/zinc/71/16/67/933711667.db2.gz	GVBOTSTVRZKKIF-BPQIPLTHSA-N	1	0	369.465	1.684	20	30		FDEDRO
Cc1cc(C#N)nc(NCC(C)(C)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1	ZINC001113466188	933834490	/nfs/dbraw/zinc/83/44/90/933834490.db2.gz	IHAUHYJYFXXBCT-GDBMZVCRSA-N	1	0	358.490	1.893	20	30		FDEDRO
N#CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1	ZINC001086594730	933870154	/nfs/dbraw/zinc/87/01/54/933870154.db2.gz	QLCFBJSAMMTOQG-RBUKOAKNSA-N	1	0	352.482	1.970	20	30		FDEDRO
Cc1ccc(C#N)cc1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1	ZINC000822610293	945084024	/nfs/dbraw/zinc/08/40/24/945084024.db2.gz	JTHHILRPVKAJIY-UHFFFAOYSA-N	1	0	356.470	1.393	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](CC)CC)[C@H]1CCCO1	ZINC000793847954	938323609	/nfs/dbraw/zinc/32/36/09/938323609.db2.gz	PYQJICHRFHZZBJ-HRCADAONSA-N	1	0	361.442	1.076	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NCc1cccc(C[N@@H+](C)CC)c1)[C@@H]1CCCO1	ZINC000793872167	938332362	/nfs/dbraw/zinc/33/23/62/938332362.db2.gz	XTEUUXXKXVKKGM-ROUUACIJSA-N	1	0	357.454	1.052	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCN(C(=O)CC)C2)C1	ZINC001086618468	938342960	/nfs/dbraw/zinc/34/29/60/938342960.db2.gz	PJXYXHRKBUTVOQ-HSALFYBXSA-N	1	0	367.493	1.852	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCCN2C(N)=O)C1	ZINC001086619129	938354155	/nfs/dbraw/zinc/35/41/55/938354155.db2.gz	AIUOISGJMIDVHP-RCCFBDPRSA-N	1	0	356.470	1.690	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1	ZINC001086619316	938354531	/nfs/dbraw/zinc/35/45/31/938354531.db2.gz	JZGBDTNZFUJSLT-DLBZAZTESA-N	1	0	370.453	1.041	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCc3n[nH]nc3C2)C1	ZINC001086619908	938358109	/nfs/dbraw/zinc/35/81/09/938358109.db2.gz	NMWATKAYGXGRJI-FUHIMQAGSA-N	1	0	363.465	1.517	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(F)cc2OCC#N)[C@H](C)C1	ZINC000794235595	938374502	/nfs/dbraw/zinc/37/45/02/938374502.db2.gz	AKXHULCCWNXCEW-OLZOCXBDSA-N	1	0	350.394	1.647	20	30		FDEDRO
N#Cc1ccc(C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)o1	ZINC000794307085	938383327	/nfs/dbraw/zinc/38/33/27/938383327.db2.gz	DPSDFOKXBGUCPE-INIZCTEOSA-N	1	0	366.421	1.779	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC1	ZINC000794339477	938389250	/nfs/dbraw/zinc/38/92/50/938389250.db2.gz	OALLYDAVBNEVPC-GOSISDBHSA-N	1	0	352.394	1.344	20	30		FDEDRO
C#CCN1C[C@@H](NC(=O)COC[C@H](C)c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129412788	938408202	/nfs/dbraw/zinc/40/82/02/938408202.db2.gz	WZHCOMCTXSEQCF-UHOSZYNNSA-N	1	0	367.453	1.073	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CCOc2ccccc2F)[C@@H](n2ccnn2)C1	ZINC001129417185	938408893	/nfs/dbraw/zinc/40/88/93/938408893.db2.gz	AONYGKXFSMBAER-SJORKVTESA-N	1	0	371.416	1.251	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)COc2ccc(CC)cc2)[C@@H](n2ccnn2)C1	ZINC001129417239	938409208	/nfs/dbraw/zinc/40/92/08/938409208.db2.gz	CIIOXYRNWFDBIP-MOPGFXCFSA-N	1	0	369.469	1.837	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)Cc2c(C)noc2C)[C@@H](n2ccnn2)C1	ZINC001129428297	938414112	/nfs/dbraw/zinc/41/41/12/938414112.db2.gz	WZBVGHJXTATIBR-SJORKVTESA-N	1	0	358.446	1.433	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H](C)c2cccnc2)[C@@H](n2ccnn2)C1	ZINC001129400273	938415320	/nfs/dbraw/zinc/41/53/20/938415320.db2.gz	BSOLSZXSUHZQRU-NXHRZFHOSA-N	1	0	354.458	1.785	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2ccccc2C)[C@@H](n2ccnn2)C1	ZINC001129470842	938430199	/nfs/dbraw/zinc/43/01/99/938430199.db2.gz	OTMDTQNBLMLGPC-SXLOBPIMSA-N	1	0	365.481	1.830	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCCCCOC)C[C@@H]1n1ccnn1	ZINC001129482275	938434650	/nfs/dbraw/zinc/43/46/50/938434650.db2.gz	SOOBUSZIMIGYHK-BBWFWOEESA-N	1	0	365.478	1.027	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](OC)C2CCCCC2)[C@@H](n2ccnn2)C1	ZINC001129502894	938437635	/nfs/dbraw/zinc/43/76/35/938437635.db2.gz	GKFHHVXMJGXMJO-SQNIBIBYSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]C[C@H](OC)c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129666663	938478305	/nfs/dbraw/zinc/47/83/05/938478305.db2.gz	DURSKHFCUBNFAD-QYZOEREBSA-N	1	0	369.469	1.974	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]Cc2cccc(COC)c2)[C@@H](n2ccnn2)C1	ZINC001129666712	938478395	/nfs/dbraw/zinc/47/83/95/938478395.db2.gz	FULIYXVJFNGRKR-MOPGFXCFSA-N	1	0	369.469	1.932	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CC/C=C\CC)[C@@H](n2ccnn2)C1	ZINC001129675152	938490024	/nfs/dbraw/zinc/49/00/24/938490024.db2.gz	IYZSIEQFGJQPSK-UQUAGTSHSA-N	1	0	361.490	1.957	20	30		FDEDRO
CCOCCC(=O)N1C[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@@H](n2ccnn2)C1	ZINC001129675791	938490450	/nfs/dbraw/zinc/49/04/50/938490450.db2.gz	XZMNALYNCJBIOF-MSOLQXFVSA-N	1	0	368.441	1.118	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H]([NH2+]CCCCOC)[C@@H](n2ccnn2)C1	ZINC001129733100	938496669	/nfs/dbraw/zinc/49/66/69/938496669.db2.gz	NYVRQNHZVKXQMH-SJORKVTESA-N	1	0	365.478	1.029	20	30		FDEDRO
CC(C)(C)CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1n1ccnn1	ZINC001129763247	938503637	/nfs/dbraw/zinc/50/36/37/938503637.db2.gz	YBBQTHCGFLFVIC-SJORKVTESA-N	1	0	369.473	1.959	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H]([NH2+]CCc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129795201	938508999	/nfs/dbraw/zinc/50/89/99/938508999.db2.gz	CJAOAADGCIUYMM-HBFSDRIKSA-N	1	0	369.469	1.189	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2c(C)ccn2C)C[C@@H]1n1ccnn1	ZINC001129783164	938515047	/nfs/dbraw/zinc/51/50/47/938515047.db2.gz	VQFUCOOXPFODML-ZACQAIPSSA-N	1	0	356.474	1.935	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2c(C)ccn2C)C[C@@H]1n1ccnn1	ZINC001129783161	938515155	/nfs/dbraw/zinc/51/51/55/938515155.db2.gz	VQFUCOOXPFODML-BBWFWOEESA-N	1	0	356.474	1.935	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCO[C@@H](C)CC(C)C)C[C@@H]1n1ccnn1	ZINC001129845757	938525677	/nfs/dbraw/zinc/52/56/77/938525677.db2.gz	UJCHBEPQRJHLOZ-KSZLIROESA-N	1	0	361.490	1.484	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[C@H]2CCCCO2)C[C@@H]1n1ccnn1	ZINC001129850026	938527028	/nfs/dbraw/zinc/52/70/28/938527028.db2.gz	KOAAREJDRDRLBQ-IXDOHACOSA-N	1	0	359.474	1.238	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(CC(C)C)n2)C[C@@H]1n1ccnn1	ZINC001129850209	938527349	/nfs/dbraw/zinc/52/73/49/938527349.db2.gz	RYXZXMYCMMAPTE-SJORKVTESA-N	1	0	371.489	1.821	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[C@@H]1CCCO1	ZINC000804695997	938529611	/nfs/dbraw/zinc/52/96/11/938529611.db2.gz	AOTRZDRZJWQGLF-SZMVWBNQSA-N	1	0	371.481	1.529	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(F)cc2F)C[C@@H]1n1ccnn1	ZINC001129857861	938529786	/nfs/dbraw/zinc/52/97/86/938529786.db2.gz	HZYQMABZNAALOI-SJORKVTESA-N	1	0	359.380	1.164	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2ccn(CC)n2)C[C@@H]1n1ccnn1	ZINC001129857823	938529838	/nfs/dbraw/zinc/52/98/38/938529838.db2.gz	GDGPYUSQAIKCAK-NXHRZFHOSA-N	1	0	371.489	1.433	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1	ZINC001086625515	938530468	/nfs/dbraw/zinc/53/04/68/938530468.db2.gz	GOAVMULQHLJLII-ZWKOTPCHSA-N	1	0	368.481	1.888	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H]([NH2+]C[C@H](OCC)C2CC2)[C@@H](n2ccnn2)C1	ZINC001129881518	938537469	/nfs/dbraw/zinc/53/74/69/938537469.db2.gz	LTXQNCPPVBHQOI-SQNIBIBYSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cnn(C)c2C)C[C@@H]1n1ccnn1	ZINC001129887847	938540635	/nfs/dbraw/zinc/54/06/35/938540635.db2.gz	UDYMGXCSOQSQIP-OLMNPRSZSA-N	1	0	371.489	1.259	20	30		FDEDRO
C[N@@H+]1CCN(c2cccc(S(N)(=O)=O)c2C#N)C[C@H]1Cc1ccccc1	ZINC000804719272	938540886	/nfs/dbraw/zinc/54/08/86/938540886.db2.gz	AAIKRYYVUQUQAT-MRXNPFEDSA-N	1	0	370.478	1.569	20	30		FDEDRO
C[N@@H+]1CCN(c2ccc(S(N)(=O)=O)cc2C#N)C[C@H]1Cc1ccccc1	ZINC000804719817	938541203	/nfs/dbraw/zinc/54/12/03/938541203.db2.gz	IPBJQUNSCZVRTC-QGZVFWFLSA-N	1	0	370.478	1.569	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnc(C)nc2OC)C[C@@H]1n1ccnn1	ZINC001129892011	938542639	/nfs/dbraw/zinc/54/26/39/938542639.db2.gz	CPRSJZHVWZUTSV-CVEARBPZSA-N	1	0	371.445	1.007	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(COC)CCCCC2)C[C@@H]1n1ccnn1	ZINC001129892290	938543261	/nfs/dbraw/zinc/54/32/61/938543261.db2.gz	PTLPECCIIOAWTE-SJORKVTESA-N	1	0	359.474	1.240	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(C)[nH]cc2NC(C)=O)C[C@@H]1n1ccnn1	ZINC001129917098	938554110	/nfs/dbraw/zinc/55/41/10/938554110.db2.gz	LTPIDAHUTULOJT-CVEARBPZSA-N	1	0	371.445	1.104	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@@H]1n1ccnn1	ZINC001129898374	938558900	/nfs/dbraw/zinc/55/89/00/938558900.db2.gz	SBWHEYSVTLDPIJ-SRABZTEZSA-N	1	0	355.446	1.113	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(F)c(C)cc2F)C[C@@H]1n1ccnn1	ZINC001129902565	938561734	/nfs/dbraw/zinc/56/17/34/938561734.db2.gz	SECXUWZEDZWYCH-SJORKVTESA-N	1	0	359.380	1.543	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2sc(C)nc2C)C[C@@H]1n1ccnn1	ZINC001129936763	938564113	/nfs/dbraw/zinc/56/41/13/938564113.db2.gz	NTGWKACMUDMCAE-CABCVRRESA-N	1	0	360.487	1.512	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cccnc2)C[C@@H]1n1ccnn1	ZINC001129918839	938567503	/nfs/dbraw/zinc/56/75/03/938567503.db2.gz	KYGLYNMHIJDBNS-SJORKVTESA-N	1	0	354.458	1.569	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3ccnc3C2)C[C@@H]1n1ccnn1	ZINC001129918925	938567598	/nfs/dbraw/zinc/56/75/98/938567598.db2.gz	MFTMLKUQFYAFDB-ZACQAIPSSA-N	1	0	369.473	1.045	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccnc(OC)c2)C[C@@H]1n1ccnn1	ZINC001129923570	938569524	/nfs/dbraw/zinc/56/95/24/938569524.db2.gz	KFSQZXSYMIKKBZ-CVEARBPZSA-N	1	0	356.430	1.303	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2cccnc2)C[C@@H]1n1ccnn1	ZINC001129924606	938570324	/nfs/dbraw/zinc/57/03/24/938570324.db2.gz	BWNXYCOUPDJCIC-MSOLQXFVSA-N	1	0	354.458	1.614	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)cc2F)C[C@@H]1n1ccnn1	ZINC001129924950	938570626	/nfs/dbraw/zinc/57/06/26/938570626.db2.gz	NZTXGGDPRVHRFJ-SJORKVTESA-N	1	0	359.405	1.657	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc3nccn32)C[C@@H]1n1ccnn1	ZINC001129930402	938572757	/nfs/dbraw/zinc/57/27/57/938572757.db2.gz	GAXKJFVZYMCASP-ZBFHGGJFSA-N	1	0	351.414	1.157	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(F)F)nn2C)C[C@@H]1n1ccnn1	ZINC001129930658	938573128	/nfs/dbraw/zinc/57/31/28/938573128.db2.gz	PSHCDKZUMCHJQW-OCCSQVGLSA-N	1	0	365.388	1.181	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCc2ccccc2C)C[C@@H]1n1ccnn1	ZINC001129949105	938573894	/nfs/dbraw/zinc/57/38/94/938573894.db2.gz	PEJNRJKFYQAIEC-UHOSZYNNSA-N	1	0	367.453	1.167	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H]([NH2+]CCOC2CCC2)[C@@H](n2ccnn2)C1	ZINC001129995811	938604361	/nfs/dbraw/zinc/60/43/61/938604361.db2.gz	KLMPZTKFLMGAFP-ZIFCJYIRSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H]([NH2+]CCOCC3CC3)[C@@H](n3ccnn3)C2)C1	ZINC001129997432	938605658	/nfs/dbraw/zinc/60/56/58/938605658.db2.gz	MIPZMLJQVODNEN-SJORKVTESA-N	1	0	359.474	1.403	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2Cc3ccc(Cl)cc3C2)CC1	ZINC000804889439	938609434	/nfs/dbraw/zinc/60/94/34/938609434.db2.gz	BSRBRIHXRVMGKB-KRWDZBQOSA-N	1	0	361.873	1.690	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)cc2C)C[C@@H]1n1ccnn1	ZINC001129986598	938610124	/nfs/dbraw/zinc/61/01/24/938610124.db2.gz	GGQXWTRJCLZDQZ-MSOLQXFVSA-N	1	0	355.442	1.827	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](c3ccccn3)C2)CC1	ZINC000804894826	938610880	/nfs/dbraw/zinc/61/08/80/938610880.db2.gz	AUXFJYDQRWTWMF-INIZCTEOSA-N	1	0	356.470	1.554	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CCc2ccccc2F)CC1	ZINC000804894687	938610997	/nfs/dbraw/zinc/61/09/97/938610997.db2.gz	NWZXPYSRHLLYMO-UHFFFAOYSA-N	1	0	361.461	1.983	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)c(Cl)c2)C[C@@H]1n1ccnn1	ZINC001129990341	938612782	/nfs/dbraw/zinc/61/27/82/938612782.db2.gz	ZGJFLNQXXCMVER-SJORKVTESA-N	1	0	357.845	1.919	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)C[C@@H]1n1ccnn1	ZINC001130020371	938619202	/nfs/dbraw/zinc/61/92/02/938619202.db2.gz	CNJMZGULAAGNON-SJORKVTESA-N	1	0	355.446	1.500	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(OCC)c2)C[C@@H]1n1ccnn1	ZINC001130020356	938619262	/nfs/dbraw/zinc/61/92/62/938619262.db2.gz	CAESMVPXXDKTEQ-MSOLQXFVSA-N	1	0	353.426	1.355	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(F)c(F)c(F)c2)C[C@@H]1n1ccnn1	ZINC001130020702	938619866	/nfs/dbraw/zinc/61/98/66/938619866.db2.gz	SSCWMXKAJQNAKU-CABCVRRESA-N	1	0	365.359	1.927	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCOC2)[C@@H](n2ccnn2)C1	ZINC001130022873	938621031	/nfs/dbraw/zinc/62/10/31/938621031.db2.gz	PTWIBMYCRZQXCT-BBWFWOEESA-N	1	0	361.490	1.649	20	30		FDEDRO
C#CCCCS(=O)(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1	ZINC000804951503	938621601	/nfs/dbraw/zinc/62/16/01/938621601.db2.gz	CCIVPKADVAWZLO-UHFFFAOYSA-N	1	0	350.488	1.056	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130040651	938626973	/nfs/dbraw/zinc/62/69/73/938626973.db2.gz	FEZZMGVBRCLFRD-BNDYYXHWSA-N	1	0	363.465	1.837	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)cc3cn[nH]c32)C[C@@H]1n1ccnn1	ZINC001130040800	938627256	/nfs/dbraw/zinc/62/72/56/938627256.db2.gz	MBSYUPWVPZQRTL-SJORKVTESA-N	1	0	363.425	1.141	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2nn(C)c(C)c2Cl)C[C@@H]1n1ccnn1	ZINC001130024580	938628515	/nfs/dbraw/zinc/62/85/15/938628515.db2.gz	XMDDDLQYDKKOCT-OLZOCXBDSA-N	1	0	363.853	1.205	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccnc(C3CC3)n2)C[C@@H]1n1ccnn1	ZINC001130026323	938629089	/nfs/dbraw/zinc/62/90/89/938629089.db2.gz	LJZLYNWVJXUSAC-SJORKVTESA-N	1	0	367.457	1.567	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnc(C(C)C)nc2C)C[C@@H]1n1ccnn1	ZINC001130027891	938629867	/nfs/dbraw/zinc/62/98/67/938629867.db2.gz	AOSHDNAHMIHXBH-SJORKVTESA-N	1	0	367.457	1.179	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2nc(C)ncc2Cl)C[C@@H]1n1ccnn1	ZINC001130028384	938630758	/nfs/dbraw/zinc/63/07/58/938630758.db2.gz	QDCISPPRPUQLCU-KGLIPLIRSA-N	1	0	361.837	1.261	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2scnc2C2CC2)C[C@@H]1n1ccnn1	ZINC001130030546	938631904	/nfs/dbraw/zinc/63/19/04/938631904.db2.gz	FJDGAWKMXOEXOD-KGLIPLIRSA-N	1	0	358.471	1.843	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)CC(C)(C)C)C[C@@H]1n1ccnn1	ZINC001130030716	938632166	/nfs/dbraw/zinc/63/21/66/938632166.db2.gz	NSHYUXRWYBHZCC-BBWFWOEESA-N	1	0	361.490	1.342	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cn(CC=C)nn2)C[C@@H]1n1ccnn1	ZINC001130033246	938633671	/nfs/dbraw/zinc/63/36/71/938633671.db2.gz	ZPYGVHRETNODDS-UXLLHSPISA-N	1	0	370.461	1.066	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2c(C)noc2Cl)C[C@@H]1n1ccnn1	ZINC001130038250	938636287	/nfs/dbraw/zinc/63/62/87/938636287.db2.gz	UTIWRPRAHIZWIM-KGLIPLIRSA-N	1	0	364.837	1.388	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cn(CCC)nc2C)C[C@@H]1n1ccnn1	ZINC001130057070	938642083	/nfs/dbraw/zinc/64/20/83/938642083.db2.gz	HKUNLTYILCZHKO-MSOLQXFVSA-N	1	0	371.489	1.815	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c(C)nn(CC)c2C)C[C@@H]1n1ccnn1	ZINC001130044052	938643302	/nfs/dbraw/zinc/64/33/02/938643302.db2.gz	NPVKRNUVESDYLU-SJORKVTESA-N	1	0	371.489	1.733	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(CC)nn2C)C[C@@H]1n1ccnn1	ZINC001130059683	938649158	/nfs/dbraw/zinc/64/91/58/938649158.db2.gz	VCFUPIRGGTWPOO-WBVHZDCISA-N	1	0	357.462	1.196	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn(CC)c2C2CC2)C[C@@H]1n1ccnn1	ZINC001130081347	938662607	/nfs/dbraw/zinc/66/26/07/938662607.db2.gz	JZTNQCOAKFIHCT-SJORKVTESA-N	1	0	367.457	1.051	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnn3c2CCCC3)C[C@@H]1n1ccnn1	ZINC001130074835	938669213	/nfs/dbraw/zinc/66/92/13/938669213.db2.gz	HKCHOTAHQKOUHH-AEFFLSMTSA-N	1	0	369.473	1.432	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]CCCCCF)[C@@H](n3ccnn3)C2)cn1	ZINC001130091356	938676668	/nfs/dbraw/zinc/67/66/68/938676668.db2.gz	OEYASMSTGSMQMR-MSOLQXFVSA-N	1	0	370.432	1.450	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2occ3c2CCCC3)C[C@@H]1n1ccnn1	ZINC001130102331	938684559	/nfs/dbraw/zinc/68/45/59/938684559.db2.gz	RZVYVVMKPWZAOS-SJORKVTESA-N	1	0	353.426	1.429	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C2(CCOC)CCC2)C[C@@H]1n1ccnn1	ZINC001130105234	938686229	/nfs/dbraw/zinc/68/62/29/938686229.db2.gz	RLKQCZCFNQYCEU-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n2ccnn2)C1	ZINC001130110184	938689327	/nfs/dbraw/zinc/68/93/27/938689327.db2.gz	YZUAQWXZLOCGQG-GNLKBHMISA-N	1	0	369.856	1.596	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccc(CC)cc2)C[C@@H]1n1ccnn1	ZINC001130112412	938691090	/nfs/dbraw/zinc/69/10/90/938691090.db2.gz	YHQIWRMAILRPIH-MOPGFXCFSA-N	1	0	369.469	1.698	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn3ccccc3n2)C[C@@H]1n1ccnn1	ZINC001130112547	938692044	/nfs/dbraw/zinc/69/20/44/938692044.db2.gz	FWBORZPCCNSCMV-ZBFHGGJFSA-N	1	0	351.414	1.157	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCOc2cc(C)ccc2C)C[C@@H]1n1ccnn1	ZINC001130112662	938692325	/nfs/dbraw/zinc/69/23/25/938692325.db2.gz	LFFRMIHTSPOVHO-MSOLQXFVSA-N	1	0	367.453	1.339	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2ccccc2Cl)C[C@@H]1n1ccnn1	ZINC001130112973	938692937	/nfs/dbraw/zinc/69/29/37/938692937.db2.gz	XGAYGVJLOVLOGP-MSOLQXFVSA-N	1	0	371.872	1.929	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001130115149	938694524	/nfs/dbraw/zinc/69/45/24/938694524.db2.gz	WNKBHRIVUDGIHK-OLMNPRSZSA-N	1	0	371.416	1.250	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COc2ccc(OC)cc2)C[C@@H]1n1ccnn1	ZINC001130119013	938702000	/nfs/dbraw/zinc/70/20/00/938702000.db2.gz	SRBOQCKMHLZEDJ-MSOLQXFVSA-N	1	0	371.441	1.283	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCOc2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001130119063	938702059	/nfs/dbraw/zinc/70/20/59/938702059.db2.gz	UZMGIFDTYRRLDC-MOPGFXCFSA-N	1	0	367.453	1.420	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cccc(OC)c2)C[C@@H]1n1ccnn1	ZINC001130139598	938711781	/nfs/dbraw/zinc/71/17/81/938711781.db2.gz	DWARLXLLUSSMIY-LZQZEXGQSA-N	1	0	367.453	1.455	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)cn2)C[C@@H]1n1ccnn1	ZINC001130142564	938713789	/nfs/dbraw/zinc/71/37/89/938713789.db2.gz	BEPGPNJNFFRSPB-MSOLQXFVSA-N	1	0	369.473	1.361	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2C2CC2)C[C@@H]1n1ccnn1	ZINC001130153491	938717541	/nfs/dbraw/zinc/71/75/41/938717541.db2.gz	UVIZGZWCTRDNNW-SJORKVTESA-N	1	0	369.473	1.511	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnc(C(C)(C)C)nc2)C[C@@H]1n1ccnn1	ZINC001130158634	938720120	/nfs/dbraw/zinc/72/01/20/938720120.db2.gz	PCEUHPOFAUDYEH-CVEARBPZSA-N	1	0	367.457	1.044	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCCn2ccnc2)C[C@@H]1n1ccnn1	ZINC001130158826	938720412	/nfs/dbraw/zinc/72/04/12/938720412.db2.gz	UCRSAPQYMDVIDU-SJORKVTESA-N	1	0	357.462	1.263	20	30		FDEDRO
C#C[C@@H](CC)NC(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000805348660	938721709	/nfs/dbraw/zinc/72/17/09/938721709.db2.gz	WPCPELHZPWRREZ-VQTJNVASSA-N	1	0	354.498	2.000	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]([NH2+]C[C@@H](C)OC)[C@@H](n3ccnn3)C2)CCCC1	ZINC001130163458	938722051	/nfs/dbraw/zinc/72/20/51/938722051.db2.gz	LDTFNHOPMZFYPV-ZACQAIPSSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccccc2)[nH]1	ZINC001130181472	938728387	/nfs/dbraw/zinc/72/83/87/938728387.db2.gz	JJOVIALSIJMNDE-HOTGVXAUSA-N	1	0	355.442	1.773	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H]2CCCO2)[nH]1	ZINC001130187726	938734163	/nfs/dbraw/zinc/73/41/63/938734163.db2.gz	GGSUZIFKLXQQCP-ILXRZTDVSA-N	1	0	363.462	1.028	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H]2C=CCC2)[nH]1	ZINC001130187961	938734498	/nfs/dbraw/zinc/73/44/98/938734498.db2.gz	SDXIFHUIFSAOBV-PMPSAXMXSA-N	1	0	359.474	1.815	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCC(F)(F)F)[nH]1	ZINC001130196160	938739479	/nfs/dbraw/zinc/73/94/79/938739479.db2.gz	UYLBJFZPNXGCKS-QWRGUYRKSA-N	1	0	361.368	1.412	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CC(C)C2)[nH]1	ZINC001130198214	938739965	/nfs/dbraw/zinc/73/99/65/938739965.db2.gz	AGWCIGNLTMIFIE-CKUJCDMFSA-N	1	0	361.490	1.895	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)=C2CCCC2)[nH]1	ZINC001130198633	938740857	/nfs/dbraw/zinc/74/08/57/938740857.db2.gz	SBJYNCHALIZIAJ-HOTGVXAUSA-N	1	0	359.474	1.960	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC=CCC2)[nH]1	ZINC001130183136	938742453	/nfs/dbraw/zinc/74/24/53/938742453.db2.gz	RSJMZUQMCBWAMM-PMPSAXMXSA-N	1	0	359.474	1.815	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(Cl)o2)[nH]1	ZINC001130184777	938743936	/nfs/dbraw/zinc/74/39/36/938743936.db2.gz	FMOOUHJYWTZUGA-JQWIXIFHSA-N	1	0	365.821	1.629	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCCCF)[nH]1	ZINC001130203233	938744813	/nfs/dbraw/zinc/74/48/13/938744813.db2.gz	URCZVRYECMGNFQ-IHRRRGAJSA-N	1	0	366.441	1.182	20	30		FDEDRO
C=CCOCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCC)[nH]1	ZINC001130203271	938745208	/nfs/dbraw/zinc/74/52/08/938745208.db2.gz	WHFCBGYPCOHLEC-GJZGRUSLSA-N	1	0	365.478	1.276	20	30		FDEDRO
C#CCCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)[nH]1	ZINC001130205030	938745655	/nfs/dbraw/zinc/74/56/55/938745655.db2.gz	QHJYNJNFYXFTPR-HOTGVXAUSA-N	1	0	359.474	1.487	20	30		FDEDRO
CC(C)C#CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C/C=C/Cl)[nH]1	ZINC001130210075	938747998	/nfs/dbraw/zinc/74/79/98/938747998.db2.gz	VGRWQZWKMGALHQ-VBMNXFDGSA-N	1	0	365.865	1.295	20	30		FDEDRO
O=C(C#CC1CC1)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C/C=C/Cl)[nH]1	ZINC001130212841	938749956	/nfs/dbraw/zinc/74/99/56/938749956.db2.gz	GTOZQFSFJJXESN-KUMHDORDSA-N	1	0	363.849	1.049	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)C(=C)Cl)[nH]1	ZINC001130215763	938751982	/nfs/dbraw/zinc/75/19/82/938751982.db2.gz	DYAKFVRFEVTSPY-STQMWFEESA-N	1	0	367.881	1.848	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC)[nH]1)OCC	ZINC001130220600	938752941	/nfs/dbraw/zinc/75/29/41/938752941.db2.gz	GEYONULQLHISEG-ZNMIVQPWSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](CC)SC)[nH]1	ZINC001130200338	938754089	/nfs/dbraw/zinc/75/40/89/938754089.db2.gz	IOINQBNMCWURHZ-IHRRRGAJSA-N	1	0	367.519	1.601	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=C(CC)CC)[nH]1	ZINC001130200294	938754100	/nfs/dbraw/zinc/75/41/00/938754100.db2.gz	GRISCEBWBBWQNJ-HOTGVXAUSA-N	1	0	359.474	1.653	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCC2(F)F)[nH]1	ZINC001130220895	938756442	/nfs/dbraw/zinc/75/64/42/938756442.db2.gz	QDFQJXVNEQIPKV-SRVKXCTJSA-N	1	0	355.389	1.114	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)n1	ZINC001130223136	938757227	/nfs/dbraw/zinc/75/72/27/938757227.db2.gz	NTIGAXQUOMKMNB-YJNKXOJESA-N	1	0	359.474	1.198	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cocc2C)[nH]1	ZINC001130227701	938761507	/nfs/dbraw/zinc/76/15/07/938761507.db2.gz	KORUNROCHNFOSX-ZFWWWQNUSA-N	1	0	359.430	1.674	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](CCC)OCC)[nH]1	ZINC001130229713	938763008	/nfs/dbraw/zinc/76/30/08/938763008.db2.gz	BCKGEVMTDZRZDB-ZNMIVQPWSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC#CC)n[nH]1	ZINC001130232468	938765048	/nfs/dbraw/zinc/76/50/48/938765048.db2.gz	IHMISNPPDJIOFD-PMPSAXMXSA-N	1	0	359.474	1.509	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)(C)C(F)F)n1	ZINC001130235184	938766608	/nfs/dbraw/zinc/76/66/08/938766608.db2.gz	XFMZIZKXKDQXIK-RYUDHWBXSA-N	1	0	369.416	1.198	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)C(C)(F)F)[nH]1	ZINC001130237807	938767238	/nfs/dbraw/zinc/76/72/38/938767238.db2.gz	FOXSBCKQARNAPN-AGIUHOORSA-N	1	0	371.432	1.750	20	30		FDEDRO
C=CCC(C)(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCOC)[nH]1	ZINC001130240570	938768429	/nfs/dbraw/zinc/76/84/29/938768429.db2.gz	VGXHXAAJTKYENN-KBPBESRZSA-N	1	0	365.478	1.132	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCC2(C)CC2)n1	ZINC001130244440	938770729	/nfs/dbraw/zinc/77/07/29/938770729.db2.gz	IPTIOOBWZZVKHD-GJZGRUSLSA-N	1	0	359.474	1.487	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(CF)cc2)n1	ZINC001130251484	938774966	/nfs/dbraw/zinc/77/49/66/938774966.db2.gz	XSFONCLQNLDWPT-HOTGVXAUSA-N	1	0	371.416	1.300	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COCCCC)CC1	ZINC001130281944	938779672	/nfs/dbraw/zinc/77/96/72/938779672.db2.gz	MLTMQMZRENGWMP-APWZRJJASA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1	ZINC001130282260	938779805	/nfs/dbraw/zinc/77/98/05/938779805.db2.gz	PISYKHUOYWIJRN-APWZRJJASA-N	1	0	369.481	1.414	20	30		FDEDRO
C=CCOCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC(C)C)CC1	ZINC001130271835	938785590	/nfs/dbraw/zinc/78/55/90/938785590.db2.gz	VRGOVNRKFSHRQK-XLIONFOSSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@@H](C)OC)CC1	ZINC001130276577	938787568	/nfs/dbraw/zinc/78/75/68/938787568.db2.gz	GLPFYNJZEAREJD-OGWOLHLISA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COCCC)CC1	ZINC001130276891	938788024	/nfs/dbraw/zinc/78/80/24/938788024.db2.gz	UMRVIGABCRRAEP-APWZRJJASA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCOCC=C)CC1	ZINC001130276967	938788298	/nfs/dbraw/zinc/78/82/98/938788298.db2.gz	WWBBSXKBZPAOOQ-XLIONFOSSA-N	1	0	363.502	1.631	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)COC)CC1	ZINC001130278815	938788792	/nfs/dbraw/zinc/78/87/92/938788792.db2.gz	FABVMVPCBAJMCJ-LESCRADOSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC)CC1)OCC	ZINC001130290585	938795044	/nfs/dbraw/zinc/79/50/44/938795044.db2.gz	GAYDGVKOJSNWAR-UWVAXJGDSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](CCC)OC)CC1	ZINC001130295792	938798267	/nfs/dbraw/zinc/79/82/67/938798267.db2.gz	SMMICBXDUPIBQS-NUJGCVRESA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2(CF)CC2)CC1	ZINC001130301684	938800306	/nfs/dbraw/zinc/80/03/06/938800306.db2.gz	AITIILKEQFBCPH-WBVHZDCISA-N	1	0	351.466	1.788	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@@H](C)C2CC2)CC1	ZINC001130307529	938805049	/nfs/dbraw/zinc/80/50/49/938805049.db2.gz	SUXCTHJZVREVKJ-FPDPHYFHSA-N	1	0	359.514	1.921	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)c1ccncc1	ZINC000805806545	938829562	/nfs/dbraw/zinc/82/95/62/938829562.db2.gz	QNUVWSJXYRLYGG-GOSISDBHSA-N	1	0	374.485	1.120	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(=O)[nH]n3)C2)cc1	ZINC001086637867	938866340	/nfs/dbraw/zinc/86/63/40/938866340.db2.gz	DDJUVMBCIQTYEB-JKSUJKDBSA-N	1	0	351.410	1.742	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2CCCCC2)C[C@H]1c1cn(C)cn1	ZINC001130479227	938874268	/nfs/dbraw/zinc/87/42/68/938874268.db2.gz	XUEMWLAHSKHFNT-PKOBYXMFSA-N	1	0	358.486	1.534	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2ccsc2)C[C@H]1c1cn(C)cn1	ZINC001130490868	938881321	/nfs/dbraw/zinc/88/13/21/938881321.db2.gz	SLIFCPYJUUSQDJ-DOTOQJQBSA-N	1	0	358.467	1.329	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C)n2cccn2)C[C@H]1c1cn(C)cn1	ZINC001130509840	938888722	/nfs/dbraw/zinc/88/87/22/938888722.db2.gz	RUXPLASTWRNJAU-XYJFISCASA-N	1	0	356.474	1.728	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CNC(=O)CC)C[C@H]1c1cn(C)cn1	ZINC001130531832	938900566	/nfs/dbraw/zinc/90/05/66/938900566.db2.gz	IFMWGPDVFNWKQB-HLLBOEOZSA-N	1	0	361.490	1.185	20	30		FDEDRO
Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)NC1(C#N)CC[NH+](C)CC1	ZINC001136630174	945231777	/nfs/dbraw/zinc/23/17/77/945231777.db2.gz	JEGAPFRGKZAEIY-UHFFFAOYSA-N	1	0	366.425	1.199	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1c1cn(C)cn1	ZINC001130573936	939874467	/nfs/dbraw/zinc/87/44/67/939874467.db2.gz	HBAWAALTFGZTRJ-FUHWJXTLSA-N	1	0	356.474	1.247	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cnn(C)c2)C1	ZINC001086640661	939878749	/nfs/dbraw/zinc/87/87/49/939878749.db2.gz	YTSIMYYITCNWCV-MAUKXSAKSA-N	1	0	367.453	1.989	20	30		FDEDRO
Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1c1cn(C)cn1	ZINC001130583650	939883808	/nfs/dbraw/zinc/88/38/08/939883808.db2.gz	KWLFLXSULWPXDA-AZUAARDMSA-N	1	0	365.481	1.867	20	30		FDEDRO
Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2c2cn(C)cn2)cn1	ZINC001130583597	939883966	/nfs/dbraw/zinc/88/39/66/939883966.db2.gz	HZEKEKISLVVDJS-PKOBYXMFSA-N	1	0	366.469	1.262	20	30		FDEDRO
CCCCOCC[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1c1cn(C)cn1	ZINC001130590585	939897439	/nfs/dbraw/zinc/89/74/39/939897439.db2.gz	XTQUSDZLZVIQEG-PKOBYXMFSA-N	1	0	360.502	1.780	20	30		FDEDRO
Cn1cnc([C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2[NH2+]Cc2ccccn2)c1	ZINC001130593039	939900050	/nfs/dbraw/zinc/90/00/50/939900050.db2.gz	MFNYMIPFJOGGDZ-PKOBYXMFSA-N	1	0	365.481	1.949	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cncc3nc[nH]c32)C[C@H]1c1cn(C)cn1	ZINC001130596654	939903640	/nfs/dbraw/zinc/90/36/40/939903640.db2.gz	OIJQWEHAPGVIFU-WMLDXEAASA-N	1	0	365.441	1.465	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)n2ccnc2)C[C@H]1c1cn(C)cn1	ZINC001130614718	939911864	/nfs/dbraw/zinc/91/18/64/939911864.db2.gz	CSGBCRQWLJZBHM-UHOSZYNNSA-N	1	0	370.501	1.974	20	30		FDEDRO
CCC(C)(C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#CCOC)C1	ZINC001130603016	939915023	/nfs/dbraw/zinc/91/50/23/939915023.db2.gz	VKHILDLCAOMHDC-FUHWJXTLSA-N	1	0	360.502	1.780	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3nccn32)C[C@H]1c1cn(C)cn1	ZINC001130607509	939918980	/nfs/dbraw/zinc/91/89/80/939918980.db2.gz	FNSWADAINUXUGR-CGTJXYLNSA-N	1	0	368.485	1.654	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2cn(C)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130607975	939919984	/nfs/dbraw/zinc/91/99/84/939919984.db2.gz	UYONFRJIRFVULM-PKOBYXMFSA-N	1	0	370.501	1.555	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2CCC)C[C@H]1c1cn(C)cn1	ZINC001130622207	939920788	/nfs/dbraw/zinc/92/07/88/939920788.db2.gz	XDHHRTLDEUSGFR-MAUKXSAKSA-N	1	0	356.474	1.870	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn3cccnc3n2)C[C@H]1c1cn(C)cn1	ZINC001130622223	939920939	/nfs/dbraw/zinc/92/09/39/939920939.db2.gz	XZWHLTCTUWRUGN-GOEBONIOSA-N	1	0	365.441	1.237	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccnnc2C)C[C@H]1c1cn(C)cn1	ZINC001130623782	939921859	/nfs/dbraw/zinc/92/18/59/939921859.db2.gz	FVWWAVVGLCDSJT-FUHWJXTLSA-N	1	0	354.458	1.683	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CC2CC(F)(F)C2)C[C@H]1c1cn(C)cn1	ZINC001130619268	939930106	/nfs/dbraw/zinc/93/01/06/939930106.db2.gz	JKLALHBTJMVHEM-GOEBONIOSA-N	1	0	350.413	1.763	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCn3nccc32)C[C@H]1c1cn(C)cn1	ZINC001130619364	939930203	/nfs/dbraw/zinc/93/02/03/939930203.db2.gz	OBPVWNHGGYHUPA-SOLBZPMBSA-N	1	0	368.485	1.654	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2cnn(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130635348	939937761	/nfs/dbraw/zinc/93/77/61/939937761.db2.gz	VZHLGHDNEFTWLZ-HHXXYDBFSA-N	1	0	370.501	1.808	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)NC(=O)C(C)(C)C)C[C@H]1c1cn(C)cn1	ZINC001130637629	939939468	/nfs/dbraw/zinc/93/94/68/939939468.db2.gz	CWQCDOKHDWRFNR-IJEWVQPXSA-N	1	0	361.490	1.041	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCn2cncn2)C1	ZINC001130652180	939946148	/nfs/dbraw/zinc/94/61/48/939946148.db2.gz	HWFIRAYQIMPDPA-SOLBZPMBSA-N	1	0	371.489	1.198	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC2(C)C)C[C@H]1c1cn(C)cn1	ZINC001130646943	939955343	/nfs/dbraw/zinc/95/53/43/939955343.db2.gz	ORBBVRXJVBLQQY-LZLYRXPVSA-N	1	0	360.502	1.943	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCCF)C2)c1	ZINC001130669531	939970043	/nfs/dbraw/zinc/97/00/43/939970043.db2.gz	GFSJVWOTPBMEGU-FUHWJXTLSA-N	1	0	355.417	1.354	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1c1cn(C)cn1	ZINC001130672566	939971963	/nfs/dbraw/zinc/97/19/63/939971963.db2.gz	SZESRZJMHGVWBA-ZIFCJYIRSA-N	1	0	359.518	1.612	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2csc3cncn32)C[C@H]1c1cn(C)cn1	ZINC001130685522	939975642	/nfs/dbraw/zinc/97/56/42/939975642.db2.gz	XAVVRZFKAZDHLX-DZGCQCFKSA-N	1	0	368.466	1.350	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCCOC)C[C@H]1c1cn(C)cn1	ZINC001130687525	939977082	/nfs/dbraw/zinc/97/70/82/939977082.db2.gz	FBQRYWFGSLJICF-SOLBZPMBSA-N	1	0	364.490	1.322	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cncc(OC)n2)C[C@H]1c1cn(C)cn1	ZINC001130687721	939977488	/nfs/dbraw/zinc/97/74/88/939977488.db2.gz	NWFAQBHBTLQITP-WMLDXEAASA-N	1	0	370.457	1.383	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cn2ccnc2C(C)C)C[C@H]1c1cn(C)cn1	ZINC001130687833	939977894	/nfs/dbraw/zinc/97/78/94/939977894.db2.gz	SOOVTLKVOSZFHV-FUHWJXTLSA-N	1	0	368.485	1.348	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2nc(CC)oc2C)C[C@H]1c1cn(C)cn1	ZINC001130689790	939979509	/nfs/dbraw/zinc/97/95/09/939979509.db2.gz	LQUJOJSUMOJXHJ-GOEBONIOSA-N	1	0	355.442	1.500	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn3ccccc23)C[C@H]1c1cn(C)cn1	ZINC001130692542	939981278	/nfs/dbraw/zinc/98/12/78/939981278.db2.gz	PUTLXXGNQMZNNS-FUHWJXTLSA-N	1	0	364.453	1.842	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cn(CC)nn2)C[C@H]1c1cn(C)cn1	ZINC001130704323	939985148	/nfs/dbraw/zinc/98/51/48/939985148.db2.gz	JRNDLJYCJDSKJU-GOEBONIOSA-N	1	0	357.462	1.196	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCc2cccnc2)C[C@H]1c1cn(C)cn1	ZINC001130706647	939988651	/nfs/dbraw/zinc/98/86/51/939988651.db2.gz	QJGSYQTYQWSVFF-PKOBYXMFSA-N	1	0	351.454	1.355	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cn(C(C)C)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130709758	939997682	/nfs/dbraw/zinc/99/76/82/939997682.db2.gz	DWXYBPLOSBLTBN-PKOBYXMFSA-N	1	0	368.485	1.727	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cccc2)C[C@H]1c1cn(C)cn1	ZINC001130714539	940006478	/nfs/dbraw/zinc/00/64/78/940006478.db2.gz	CUBBTLFYAXJDHG-ZIFCJYIRSA-N	1	0	353.470	1.780	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]C/C=C\Cl)C2)nc1	ZINC001130714868	940007280	/nfs/dbraw/zinc/00/72/80/940007280.db2.gz	NCKLZUYBKBGRHW-RBNYWBGLSA-N	1	0	369.856	1.747	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCCC(=O)N(C)C)C[C@H]1c1cn(C)cn1	ZINC001130714944	940007329	/nfs/dbraw/zinc/00/73/29/940007329.db2.gz	PVYUKQMXEACKMM-DOTOQJQBSA-N	1	0	361.490	1.139	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+][C@@H](C)COC)C2)cn1	ZINC001130715120	940007765	/nfs/dbraw/zinc/00/77/65/940007765.db2.gz	UCWLKVCKKPNSQG-UCLAIMLFSA-N	1	0	367.453	1.029	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COc2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130717452	940010397	/nfs/dbraw/zinc/01/03/97/940010397.db2.gz	LKFPUQAQJIAKFY-PKOBYXMFSA-N	1	0	352.438	1.406	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCCc2nc(C)no2)C[C@H]1c1cn(C)cn1	ZINC001130728390	940016324	/nfs/dbraw/zinc/01/63/24/940016324.db2.gz	CGWZMAHRVHYTAG-DOTOQJQBSA-N	1	0	370.457	1.042	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(F)cccc2F)C[C@H]1c1cn(C)cn1	ZINC001130719528	940023534	/nfs/dbraw/zinc/02/35/34/940023534.db2.gz	WNGACCJBAAAIHZ-SUMWQHHRSA-N	1	0	358.392	1.919	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(F)cc2F)C[C@H]1c1cn(C)cn1	ZINC001130722080	940026478	/nfs/dbraw/zinc/02/64/78/940026478.db2.gz	ZMQYLKXOCIZOKQ-MAUKXSAKSA-N	1	0	358.392	1.919	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2nonc2C)C[C@H]1c1cn(C)cn1	ZINC001130741481	940033328	/nfs/dbraw/zinc/03/33/28/940033328.db2.gz	FAPYEOQZCFBNLW-DUVNUKRYSA-N	1	0	358.446	1.664	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)n2nc(C)cc2C)C[C@H]1c1cn(C)cn1	ZINC001130737197	940038681	/nfs/dbraw/zinc/03/86/81/940038681.db2.gz	WZRWCVAHKUAKPP-ZIFCJYIRSA-N	1	0	368.485	1.402	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2COc3ccccc32)C[C@H]1c1cn(C)cn1	ZINC001130739783	940041709	/nfs/dbraw/zinc/04/17/09/940041709.db2.gz	OIMRLCNCLOMWOJ-JENIJYKNSA-N	1	0	364.449	1.504	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1c1cn(C)cn1	ZINC001130739916	940041883	/nfs/dbraw/zinc/04/18/83/940041883.db2.gz	VODHVOYPHIEENO-PKOBYXMFSA-N	1	0	370.501	1.947	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCCCCOCC)C[C@H]1c1cn(C)cn1	ZINC001130739886	940042044	/nfs/dbraw/zinc/04/20/44/940042044.db2.gz	TYHFOZXNRORBQV-PKOBYXMFSA-N	1	0	360.502	1.924	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCNC(=O)CC(C)C)C[C@H]1c1cn(C)cn1	ZINC001130739969	940042147	/nfs/dbraw/zinc/04/21/47/940042147.db2.gz	XTINDABUYKRCFV-DOTOQJQBSA-N	1	0	361.490	1.043	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc(OCC)cn2)C[C@H]1c1cn(C)cn1	ZINC001130741815	940046293	/nfs/dbraw/zinc/04/62/93/940046293.db2.gz	PZHTVSUCDLNDMH-WMLDXEAASA-N	1	0	370.457	1.383	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)c1	ZINC000806793419	940053253	/nfs/dbraw/zinc/05/32/53/940053253.db2.gz	RVNAZMXXSRGBRM-UHFFFAOYSA-N	1	0	362.477	1.953	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(C)o3)n2)O1	ZINC001130752796	940060119	/nfs/dbraw/zinc/06/01/19/940060119.db2.gz	BFBMYXBODUCKOO-UONOGXRCSA-N	1	0	357.414	1.469	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cnc(C)cn3)n2)O1	ZINC001130753065	940061740	/nfs/dbraw/zinc/06/17/40/940061740.db2.gz	OZXIFOGGLZHMOM-DZGCQCFKSA-N	1	0	371.445	1.219	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CSCCC)n2)O1	ZINC001130761833	940068283	/nfs/dbraw/zinc/06/82/83/940068283.db2.gz	GWNKOWJBFCWWNH-UONOGXRCSA-N	1	0	367.519	1.950	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](CC)OC)n2)O1	ZINC001130762398	940070684	/nfs/dbraw/zinc/07/06/84/940070684.db2.gz	UMSBJVHRCQYSDD-SOUVJXGZSA-N	1	0	365.478	1.622	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccccc3O)n2)O1	ZINC001130757816	940082845	/nfs/dbraw/zinc/08/28/45/940082845.db2.gz	HULKBPIQZDBYIZ-XJKSGUPXSA-N	1	0	371.441	1.826	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(Cl)o3)n2)O1	ZINC001130759655	940086615	/nfs/dbraw/zinc/08/66/15/940086615.db2.gz	DIZRCDKLSGKOAG-WDEREUQCSA-N	1	0	363.805	1.424	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ocnc3C)n2)O1	ZINC001130772197	940111057	/nfs/dbraw/zinc/11/10/57/940111057.db2.gz	COUAVWRHOJVNFJ-QWHCGFSZSA-N	1	0	360.418	1.417	20	30		FDEDRO
C=CC(C)(C)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCOC)O2)n[nH]1	ZINC001130785439	940120125	/nfs/dbraw/zinc/12/01/25/940120125.db2.gz	MNVYJLRHBQLJAN-UONOGXRCSA-N	1	0	365.478	1.479	20	30		FDEDRO
C=C(C)[C@H](CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC)O2)n[nH]1)OCC	ZINC001130785270	940120136	/nfs/dbraw/zinc/12/01/36/940120136.db2.gz	IVVLBUYOCNKKNQ-ZNMIVQPWSA-N	1	0	365.478	1.622	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3c(C)ccn3C)n2)O1	ZINC001130777007	940127955	/nfs/dbraw/zinc/12/79/55/940127955.db2.gz	RKJAKRMLLGTVDD-UONOGXRCSA-N	1	0	358.446	1.377	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC(=C)C)O2)n[nH]1	ZINC001130778020	940130445	/nfs/dbraw/zinc/13/04/45/940130445.db2.gz	AVYDBUHHOLBQJW-IYOUNJFTSA-N	1	0	363.462	1.134	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H](C)SC)n2)O1	ZINC001130781016	940135907	/nfs/dbraw/zinc/13/59/07/940135907.db2.gz	KQPKQSMXGBVDDM-MELADBBJSA-N	1	0	367.519	1.948	20	30		FDEDRO
CC[C@H](F)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C#CC(C)C)n2)O1	ZINC001130783131	940142211	/nfs/dbraw/zinc/14/22/11/940142211.db2.gz	LNAQVLZCZTYCAX-SOUVJXGZSA-N	1	0	365.453	1.638	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(COC)CCC3)n2)O1	ZINC001130794403	940146072	/nfs/dbraw/zinc/14/60/72/940146072.db2.gz	VEBSHWFDINQYRS-UONOGXRCSA-N	1	0	363.462	1.233	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3occ4c3CCC4)n2)O1	ZINC001130796131	940150557	/nfs/dbraw/zinc/15/05/57/940150557.db2.gz	JHSNXCDWYPNGND-DZGCQCFKSA-N	1	0	369.425	1.259	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccncc3CC)n2)O1	ZINC001130790324	940164285	/nfs/dbraw/zinc/16/42/85/940164285.db2.gz	TZJAXAQVIYAPPB-GOEBONIOSA-N	1	0	368.441	1.135	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(C)c(C)n3)n2)O1	ZINC001130792446	940169837	/nfs/dbraw/zinc/16/98/37/940169837.db2.gz	DZMWWXIPQGCTFJ-GOEBONIOSA-N	1	0	368.441	1.189	20	30		FDEDRO
C#Cc1cncc(C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CC=C)O3)n[nH]2)c1	ZINC001130804759	940176195	/nfs/dbraw/zinc/17/61/95/940176195.db2.gz	NYUUCQYMBBSPSU-JKSUJKDBSA-N	1	0	366.425	1.107	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](OC)C(C)C)n2)O1	ZINC001130805387	940177698	/nfs/dbraw/zinc/17/76/98/940177698.db2.gz	ZESYCAYQENAVBG-GUTXKFCHSA-N	1	0	351.451	1.088	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCO[C@H]3C=C)n2)O1	ZINC001130806460	940180602	/nfs/dbraw/zinc/18/06/02/940180602.db2.gz	BVULCCJEVVRBNW-LJISPDSOSA-N	1	0	361.446	1.008	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@]34C[C@H]3CCCC4)n2)O1	ZINC001130806659	940181982	/nfs/dbraw/zinc/18/19/82/940181982.db2.gz	HGHHAKVTOIIPTN-UIVXKWKOSA-N	1	0	371.485	1.834	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(C)CC(=C)C3)n2)O1	ZINC001130809113	940185745	/nfs/dbraw/zinc/18/57/45/940185745.db2.gz	HUFYWIVSLBHEBE-LSDHHAIUSA-N	1	0	357.458	1.610	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)OCC=C)n2)O1	ZINC001130821697	940202521	/nfs/dbraw/zinc/20/25/21/940202521.db2.gz	AFWCFEWTDBOZJK-SOUVJXGZSA-N	1	0	363.462	1.398	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(C(F)(F)F)CC3)n2)O1	ZINC001130812020	940206642	/nfs/dbraw/zinc/20/66/42/940206642.db2.gz	XMDYONPVEJLVQV-WDEREUQCSA-N	1	0	371.363	1.206	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@]3(C)CCOC3)n2)O1	ZINC001130813353	940211534	/nfs/dbraw/zinc/21/15/34/940211534.db2.gz	MQYIOWWYIOWEOU-IYOUNJFTSA-N	1	0	363.462	1.233	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3ccco3)n2)O1	ZINC001130813074	940211792	/nfs/dbraw/zinc/21/17/92/940211792.db2.gz	HGPQKABTGVRYIN-LSDHHAIUSA-N	1	0	359.430	1.642	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC34CCCC4)n2)O1	ZINC001130813817	940213173	/nfs/dbraw/zinc/21/31/73/940213173.db2.gz	YUSAKPTYORZBAI-ARFHVFGLSA-N	1	0	371.485	1.834	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC34CCCC4)n2)O1	ZINC001130813818	940213544	/nfs/dbraw/zinc/21/35/44/940213544.db2.gz	YUSAKPTYORZBAI-HRCADAONSA-N	1	0	371.485	1.834	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3ccccc3F)n2)O1	ZINC001130817504	940222613	/nfs/dbraw/zinc/22/26/13/940222613.db2.gz	QFJAVXYWIVCIHN-GOEBONIOSA-N	1	0	371.416	1.246	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCCOC(C)C)n2)O1	ZINC001130820225	940227704	/nfs/dbraw/zinc/22/77/04/940227704.db2.gz	OZHHALAGOAYELQ-LSDHHAIUSA-N	1	0	363.462	1.069	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cccc(C)n2)C[C@H]1c1cncn1C	ZINC001130910716	940317951	/nfs/dbraw/zinc/31/79/51/940317951.db2.gz	KKHWNKGRCQRDCY-SJLPKXTDSA-N	1	0	369.469	1.524	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C)n2cccn2)C[C@H]1c1cncn1C	ZINC001130920639	940330456	/nfs/dbraw/zinc/33/04/56/940330456.db2.gz	BLONVXJSHOYIQE-GVDBMIGSSA-N	1	0	356.474	1.728	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cn(C)nc2C)C1	ZINC001130935704	940331522	/nfs/dbraw/zinc/33/15/22/940331522.db2.gz	HSOZIKZOYUMVNA-IAGOWNOFSA-N	1	0	356.474	1.512	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCOC)C1	ZINC001130929939	940338691	/nfs/dbraw/zinc/33/86/91/940338691.db2.gz	ZRCNOAOCEYJYED-BRWVUGGUSA-N	1	0	364.490	1.322	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@@H](C)c2cnccn2)C1	ZINC001130948412	940347002	/nfs/dbraw/zinc/34/70/02/940347002.db2.gz	JVPUDIJBJKLACX-ZMSDIMECSA-N	1	0	370.457	1.058	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc[nH]c(=O)c2)C[C@H]1c1cncn1C	ZINC001130956683	940361826	/nfs/dbraw/zinc/36/18/26/940361826.db2.gz	DKQGUWPBRKYCFL-HZPDHXFCSA-N	1	0	355.442	1.685	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2nnc[nH]2)C[C@H]1c1cncn1C	ZINC001130957287	940362665	/nfs/dbraw/zinc/36/26/65/940362665.db2.gz	QFUITOPJSJJZHD-BZUAXINKSA-N	1	0	371.489	1.410	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2nccn2CC)C[C@H]1c1cncn1C	ZINC001130973001	940383611	/nfs/dbraw/zinc/38/36/11/940383611.db2.gz	KTVWKKOOFSOCST-HZPDHXFCSA-N	1	0	356.474	1.801	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C)n2cncn2)C[C@H]1c1cncn1C	ZINC001130966904	940389609	/nfs/dbraw/zinc/38/96/09/940389609.db2.gz	KABBDOCTGMDBLN-ARFHVFGLSA-N	1	0	357.462	1.123	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnn(CC)n2)C[C@H]1c1cncn1C	ZINC001130978229	940391042	/nfs/dbraw/zinc/39/10/42/940391042.db2.gz	YXDKIXZKTCNUDA-GDBMZVCRSA-N	1	0	357.462	1.196	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccccn2)C1	ZINC001130983165	940397989	/nfs/dbraw/zinc/39/79/89/940397989.db2.gz	OJZRCROXODBRCW-MBOZVWFJSA-N	1	0	369.469	1.226	20	30		FDEDRO
CC(C)OCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1c1cncn1C	ZINC001130975721	940403994	/nfs/dbraw/zinc/40/39/94/940403994.db2.gz	NXFPMEVXSCYIAH-IAGOWNOFSA-N	1	0	370.457	1.243	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@@H]2CCCOC2)C1	ZINC001130977917	940408884	/nfs/dbraw/zinc/40/88/84/940408884.db2.gz	HCZCHQDEYJJQHI-RCCFBDPRSA-N	1	0	358.486	1.534	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2c(C)noc2C)C1	ZINC001130978045	940409273	/nfs/dbraw/zinc/40/92/73/940409273.db2.gz	ONVOYHUGQWLYPP-QZTJIDSGSA-N	1	0	369.469	1.913	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)n(C)n2)C[C@H]1c1cncn1C	ZINC001130989110	940411204	/nfs/dbraw/zinc/41/12/04/940411204.db2.gz	VISKEZSDCYVYKR-NVXWUHKLSA-N	1	0	368.485	1.498	20	30		FDEDRO
Cn1cncc1[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1[NH2+]CCn1cccn1	ZINC001130985746	940423474	/nfs/dbraw/zinc/42/34/74/940423474.db2.gz	OCVLNXKONKYIRF-IAGOWNOFSA-N	1	0	368.485	1.250	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C2(COC)CCCCC2)C[C@H]1c1cncn1C	ZINC001131006008	940432321	/nfs/dbraw/zinc/43/23/21/940432321.db2.gz	HTTIXZZIRALRMZ-IAGOWNOFSA-N	1	0	358.486	1.534	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn3c2CCC3)C[C@H]1c1cncn1C	ZINC001131006255	940432650	/nfs/dbraw/zinc/43/26/50/940432650.db2.gz	UAUCKYCGRDPNNN-HZPDHXFCSA-N	1	0	354.458	1.337	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)nnc2CC)C[C@H]1c1cncn1C	ZINC001131017960	940438930	/nfs/dbraw/zinc/43/89/30/940438930.db2.gz	VGDOAXOXRAVMLL-SJLPKXTDSA-N	1	0	368.485	1.855	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)n2ccnc2)C[C@H]1c1cncn1C	ZINC001131012940	940444810	/nfs/dbraw/zinc/44/48/10/940444810.db2.gz	TXHPKRAZSIHCHZ-KZNAEPCWSA-N	1	0	370.501	1.974	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn(CCF)c2)C[C@H]1c1cncn1C	ZINC001131019813	940451895	/nfs/dbraw/zinc/45/18/95/940451895.db2.gz	BUUPLSAJVHJGOK-HZPDHXFCSA-N	1	0	360.437	1.360	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2ccnc(C)n2)C[C@H]1c1cncn1C	ZINC001131038166	940466077	/nfs/dbraw/zinc/46/60/77/940466077.db2.gz	CVXORXGADMXVRP-QZTJIDSGSA-N	1	0	368.485	1.611	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cn(C(C)C)cn2)C[C@H]1c1cncn1C	ZINC001131038610	940467124	/nfs/dbraw/zinc/46/71/24/940467124.db2.gz	ZJIXFVDYCCXRLG-HZPDHXFCSA-N	1	0	354.458	1.419	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCF)C1	ZINC001131040132	940468089	/nfs/dbraw/zinc/46/80/89/940468089.db2.gz	NJYCTCUFMMMZGS-RKVPGOIHSA-N	1	0	352.454	1.502	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2occ3c2CCOC3)C[C@H]1c1cncn1C	ZINC001131040079	940468141	/nfs/dbraw/zinc/46/81/41/940468141.db2.gz	KQJVEHDKXKEXPD-IAGOWNOFSA-N	1	0	368.437	1.307	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2ccc(C)n2)C[C@H]1c1cncn1C	ZINC001131049159	940470678	/nfs/dbraw/zinc/47/06/78/940470678.db2.gz	QWDUTDBXVDKUGI-KZNAEPCWSA-N	1	0	368.485	1.484	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CC2CC(OCC)C2)C[C@H]1c1cncn1C	ZINC001131055574	940481393	/nfs/dbraw/zinc/48/13/93/940481393.db2.gz	CHNOICAEGIUTQC-OPQOLIRYSA-N	1	0	358.486	1.533	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1c1cncn1C	ZINC001131055608	940481530	/nfs/dbraw/zinc/48/15/30/940481530.db2.gz	DWQFDGIGBLAGJS-IIAWOOMASA-N	1	0	370.457	1.056	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2(C(C)C)CC2)C[C@H]1c1cncn1C	ZINC001131068133	940483212	/nfs/dbraw/zinc/48/32/12/940483212.db2.gz	OEOKIWNISZJHPN-IAGOWNOFSA-N	1	0	358.486	1.390	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(CC)cn2)C[C@H]1c1cncn1C	ZINC001131076033	940491204	/nfs/dbraw/zinc/49/12/04/940491204.db2.gz	FQHGDTLTNBXUKQ-RTBURBONSA-N	1	0	365.481	1.528	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@H]1c1cncn1C	ZINC001131076522	940491305	/nfs/dbraw/zinc/49/13/05/940491305.db2.gz	PNXYIMAMEORWOX-WOJBJXKFSA-N	1	0	362.477	1.742	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCn2ccnc2C)C[C@H]1c1cncn1C	ZINC001131089787	940495004	/nfs/dbraw/zinc/49/50/04/940495004.db2.gz	ZTIDTRVMQZCSQJ-QZTJIDSGSA-N	1	0	370.501	1.866	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CCn2cccc2)C[C@H]1c1cncn1C	ZINC001131096637	940497349	/nfs/dbraw/zinc/49/73/49/940497349.db2.gz	JVOCJRZSJHSGTJ-QZTJIDSGSA-N	1	0	371.485	1.399	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cccnc2)C[C@H]1c1cncn1C	ZINC001131112598	940498940	/nfs/dbraw/zinc/49/89/40/940498940.db2.gz	IANXMFWBNGULIO-KBAYOESNSA-N	1	0	351.454	1.526	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc(N(C)C)c2)C[C@H]1c1cncn1C	ZINC001131112785	940498946	/nfs/dbraw/zinc/49/89/46/940498946.db2.gz	MYKVUJMNRMIBBC-RTBURBONSA-N	1	0	365.481	1.707	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn(CCC)nn2)C[C@H]1c1cncn1C	ZINC001131099810	940499452	/nfs/dbraw/zinc/49/94/52/940499452.db2.gz	XDQWWVGKRUFIKA-HUUCEWRRSA-N	1	0	357.462	1.196	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnoc2C2CC2)C[C@H]1c1cncn1C	ZINC001131099907	940499535	/nfs/dbraw/zinc/49/95/35/940499535.db2.gz	ZUMMVKDVGYYAGL-HZPDHXFCSA-N	1	0	353.426	1.507	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ncoc2C2CC2)C[C@H]1c1cncn1C	ZINC001131100880	940500160	/nfs/dbraw/zinc/50/01/60/940500160.db2.gz	AGRQJPLUKIKGHY-HUUCEWRRSA-N	1	0	353.426	1.507	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnc(OC)nc2)C[C@H]1c1cncn1C	ZINC001131101299	940500303	/nfs/dbraw/zinc/50/03/03/940500303.db2.gz	SXRGEYXYWNFKHN-HZPDHXFCSA-N	1	0	370.457	1.383	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2cnccn2)C[C@H]1c1cncn1C	ZINC001131103544	940501043	/nfs/dbraw/zinc/50/10/43/940501043.db2.gz	PJQRKZCOGPWQAF-IAGOWNOFSA-N	1	0	354.458	1.303	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2cnccn2)C[C@H]1c1cncn1C	ZINC001131103711	940501374	/nfs/dbraw/zinc/50/13/74/940501374.db2.gz	YZAIDBSSMVHFHR-QZTJIDSGSA-N	1	0	368.485	1.693	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3c([nH]2)CCCC3)C[C@H]1c1cncn1C	ZINC001131106477	940502075	/nfs/dbraw/zinc/50/20/75/940502075.db2.gz	WWYNGWGLTXMZDS-VQIMIIECSA-N	1	0	365.481	1.848	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)CC(F)(F)F)C[C@H]1c1cncn1C	ZINC001131107819	940502290	/nfs/dbraw/zinc/50/22/90/940502290.db2.gz	AOIFPAVRLYCSFS-MGPQQGTHSA-N	1	0	356.392	1.916	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2cccc(OC)c2)C[C@H]1c1cncn1C	ZINC001131117711	940504499	/nfs/dbraw/zinc/50/44/99/940504499.db2.gz	NUSJCONWFHBQAB-RTBURBONSA-N	1	0	366.465	1.579	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(=O)[nH]c2C)C[C@H]1c1cncn1C	ZINC001131125338	940507612	/nfs/dbraw/zinc/50/76/12/940507612.db2.gz	AOYGFQLSJZYULR-HZPDHXFCSA-N	1	0	367.453	1.359	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2scnc2Cl)C[C@H]1c1cncn1C	ZINC001131125764	940507870	/nfs/dbraw/zinc/50/78/70/940507870.db2.gz	LEVYWOUBWMMTOP-VXGBXAGGSA-N	1	0	363.874	1.751	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)nc2C)C[C@H]1c1cncn1C	ZINC001131125966	940507878	/nfs/dbraw/zinc/50/78/78/940507878.db2.gz	PTLIZPXFTQWLNI-QZTJIDSGSA-N	1	0	351.454	1.653	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000808022647	940512281	/nfs/dbraw/zinc/51/22/81/940512281.db2.gz	PCBJXAJLXFJTQY-QWHCGFSZSA-N	1	0	372.307	1.780	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C/C=C/Cl)C1	ZINC001131132180	940512284	/nfs/dbraw/zinc/51/22/84/940512284.db2.gz	BAUUZAUNVGPBFJ-YVSHFGMPSA-N	1	0	352.866	1.648	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOC(C)C)C1	ZINC001131132775	940512523	/nfs/dbraw/zinc/51/25/23/940512523.db2.gz	QRQBEDSHWKCASN-GVDBMIGSSA-N	1	0	364.490	1.320	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)cc1	ZINC000808139533	940521555	/nfs/dbraw/zinc/52/15/55/940521555.db2.gz	HREVKNKYONSWGQ-GOSISDBHSA-N	1	0	355.438	1.124	20	30		FDEDRO
C#C[C@@H](NC(=O)NCc1ccncc1OCCC[NH+](C)C)[C@H]1CCCO1	ZINC000808291297	940538391	/nfs/dbraw/zinc/53/83/91/940538391.db2.gz	HQTVQXHEWYEEEY-IAGOWNOFSA-N	1	0	360.458	1.392	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1	ZINC000808293052	940538421	/nfs/dbraw/zinc/53/84/21/940538421.db2.gz	RHNUUMTVYNYIAX-GOSISDBHSA-N	1	0	363.483	1.621	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C(C)(F)F)C1	ZINC001131297900	940545040	/nfs/dbraw/zinc/54/50/40/940545040.db2.gz	OGANRZBBRQHNGU-MJBXVCDLSA-N	1	0	357.401	1.714	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)COCCC)C1	ZINC001131306891	940548712	/nfs/dbraw/zinc/54/87/12/940548712.db2.gz	BNUPBVLZQQNBHY-BBWFWOEESA-N	1	0	365.474	1.485	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCOCC)C1	ZINC001131307200	940548982	/nfs/dbraw/zinc/54/89/82/940548982.db2.gz	LXYOEMPBDDDEFG-XHSDSOJGSA-N	1	0	351.447	1.095	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(=O)NCC[N@@H+](CCCCCC)CC1	ZINC001131383417	940559287	/nfs/dbraw/zinc/55/92/87/940559287.db2.gz	HIGUIFFRVBTNQR-MSOLQXFVSA-N	1	0	365.518	1.808	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2OCC[C@H]2C)CC1	ZINC001131383564	940559375	/nfs/dbraw/zinc/55/93/75/940559375.db2.gz	OOLNLEXQLRMKEE-RYRKJORJSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC(C)(C)C)CC1	ZINC001131427204	940566894	/nfs/dbraw/zinc/56/68/94/940566894.db2.gz	QLFOWLJZFKGUIF-APWZRJJASA-N	1	0	365.518	1.711	20	30		FDEDRO
COCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CSCC#N)CC1	ZINC001131429664	940567402	/nfs/dbraw/zinc/56/74/02/940567402.db2.gz	QHYRXCGYWBQBBO-WBVHZDCISA-N	1	0	355.504	1.265	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)NC(C)=O)CC1	ZINC001131416561	940567598	/nfs/dbraw/zinc/56/75/98/940567598.db2.gz	LCOPTPTUSNJIEA-QGTPRVQTSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NCC2CC2)CC1	ZINC001131444965	940592559	/nfs/dbraw/zinc/59/25/59/940592559.db2.gz	CRACFFAZJPULMK-XLIONFOSSA-N	1	0	363.502	1.465	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@@H]3CCc4ncnn43)C2)c1	ZINC001086669299	940598831	/nfs/dbraw/zinc/59/88/31/940598831.db2.gz	XSAWXQZIOSBSNS-CFVMTHIKSA-N	1	0	353.430	1.153	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCC(=O)NCC)CC1	ZINC001131451514	940605163	/nfs/dbraw/zinc/60/51/63/940605163.db2.gz	NVDSUGQHVNPACP-APWZRJJASA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC[C@H]2CCOC2)CC1	ZINC001131461124	940615638	/nfs/dbraw/zinc/61/56/38/940615638.db2.gz	FTYNVSACODYVJM-HQRMLTQVSA-N	1	0	366.502	1.601	20	30		FDEDRO
C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCOCC)CC1	ZINC001131464660	940622797	/nfs/dbraw/zinc/62/27/97/940622797.db2.gz	ZCNNAIXHYSFJLA-MJGOQNOKSA-N	1	0	354.491	1.601	20	30		FDEDRO
C=CCOCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)COC)CC1	ZINC001131467808	940624353	/nfs/dbraw/zinc/62/43/53/940624353.db2.gz	RPYSORZNGMFSGJ-POAQFYNOSA-N	1	0	368.518	1.990	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnnn2C)CC1	ZINC001131487752	940631298	/nfs/dbraw/zinc/63/12/98/940631298.db2.gz	DJOLIQDWMUDDIB-KYJSFNMBSA-N	1	0	361.490	1.769	20	30		FDEDRO
C#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H]2CCCNC2=O)CC1	ZINC001131487917	940631817	/nfs/dbraw/zinc/63/18/17/940631817.db2.gz	NNOONFQLPBKJOI-LMMKCTJWSA-N	1	0	361.486	1.054	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H](C)CC)CC1	ZINC001131478857	940634934	/nfs/dbraw/zinc/63/49/34/940634934.db2.gz	NNVRMPQKVKXRSQ-MDYRTPRTSA-N	1	0	363.502	1.158	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCNC(=O)NC)CC1	ZINC001131490920	940641329	/nfs/dbraw/zinc/64/13/29/940641329.db2.gz	HIAVVTMYCJOONC-AEFFLSMTSA-N	1	0	366.506	1.257	20	30		FDEDRO
Cc1cnc(C[NH2+][C@@H]2CCO[C@H]2C2CCN(C(=O)C#CC(C)C)CC2)cn1	ZINC001131496146	940647526	/nfs/dbraw/zinc/64/75/26/940647526.db2.gz	QTCUFBRSWDAWOI-CTNGQTDRSA-N	1	0	370.497	1.930	20	30		FDEDRO
C#CCOCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCOC)CC1	ZINC001131498661	940648916	/nfs/dbraw/zinc/64/89/16/940648916.db2.gz	IXCSMWHGQAUMSR-MJGOQNOKSA-N	1	0	352.475	1.049	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1	ZINC001131501355	940652031	/nfs/dbraw/zinc/65/20/31/940652031.db2.gz	OULIEQDZCUXRLN-VDZJLULYSA-N	1	0	355.438	1.127	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C/C=C/Cl)CC1	ZINC001131502915	940653198	/nfs/dbraw/zinc/65/31/98/940653198.db2.gz	NCYJXMZDJVBGMQ-UPGKJEGRSA-N	1	0	354.878	1.763	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cccnc2)CC1	ZINC001131502596	940653260	/nfs/dbraw/zinc/65/32/60/940653260.db2.gz	GBTDYZQAYXRHQA-DBVUQKKJSA-N	1	0	371.481	1.606	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC(=O)N(CC)C2)CC1	ZINC001131510530	940659910	/nfs/dbraw/zinc/65/99/10/940659910.db2.gz	OAWCNDKJSWAESN-SCTDSRPQSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)c2ccoc2)CC1	ZINC001131506822	940668997	/nfs/dbraw/zinc/66/89/97/940668997.db2.gz	QXTISEUJHAAZQN-AEFFLSMTSA-N	1	0	361.442	1.181	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)NC(=O)CC)CC1	ZINC001131506967	940669457	/nfs/dbraw/zinc/66/94/57/940669457.db2.gz	YJSSSIYZPQLBMH-UNEWFSDZSA-N	1	0	371.909	1.639	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCc3nccn32)CC1	ZINC001131517374	940684257	/nfs/dbraw/zinc/68/42/57/940684257.db2.gz	NDUXAZSPPMQSFK-GGPKGHCWSA-N	1	0	370.497	1.770	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2nc(C)cc2C)CC1	ZINC001131526556	940711469	/nfs/dbraw/zinc/71/14/69/940711469.db2.gz	ZGMOLVCIZMDFAE-QUCCMNQESA-N	1	0	358.486	1.509	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1	ZINC001131537938	940725989	/nfs/dbraw/zinc/72/59/89/940725989.db2.gz	BYPILZLMPPPBJR-HBFSDRIKSA-N	1	0	368.518	1.583	20	30		FDEDRO
CC#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC#CCOC)CC1	ZINC001131547747	940736774	/nfs/dbraw/zinc/73/67/74/940736774.db2.gz	APTCNXRAIIHJJS-CTNGQTDRSA-N	1	0	360.498	1.816	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCO)CC1	ZINC001131549854	940738297	/nfs/dbraw/zinc/73/82/97/940738297.db2.gz	BVUCXEJPJWMTSV-UHOSZYNNSA-N	1	0	368.518	1.583	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1	ZINC001131564156	940740258	/nfs/dbraw/zinc/74/02/58/940740258.db2.gz	DSZANFWUYMINMV-XDNAFOTISA-N	1	0	363.502	1.450	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc3cccnn32)CC1	ZINC001131574462	940751270	/nfs/dbraw/zinc/75/12/70/940751270.db2.gz	ASSTUGKDXOJBQO-QUCCMNQESA-N	1	0	366.465	1.957	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(COC)on2)CC1	ZINC001131574797	940751577	/nfs/dbraw/zinc/75/15/77/940751577.db2.gz	JUEIJDQFWIKSDL-AEFFLSMTSA-N	1	0	363.458	1.996	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCn2cncn2)CC1	ZINC001131590749	940760831	/nfs/dbraw/zinc/76/08/31/940760831.db2.gz	RCLIQDIGSPASGE-MJGOQNOKSA-N	1	0	361.490	1.620	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn(C)nc2Cl)CC1	ZINC001131593220	940764884	/nfs/dbraw/zinc/76/48/84/940764884.db2.gz	RVUCYAILIXYJAV-CVEARBPZSA-N	1	0	364.877	1.696	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn(CCC)nn2)CC1	ZINC001131584705	940770331	/nfs/dbraw/zinc/77/03/31/940770331.db2.gz	CHSGUTZNHXCEIX-AEFFLSMTSA-N	1	0	359.474	1.311	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn(CC)nn2)CC1	ZINC001131585511	940771270	/nfs/dbraw/zinc/77/12/70/940771270.db2.gz	YISAJLFVASBAJS-AEFFLSMTSA-N	1	0	361.490	1.864	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c[nH]cc2C)CC1	ZINC001131605039	940774689	/nfs/dbraw/zinc/77/46/89/940774689.db2.gz	UFWUBGRMOVKQSS-MOPGFXCFSA-N	1	0	359.470	1.572	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2Cc3cccnc3C2)CC1	ZINC001131599516	940782751	/nfs/dbraw/zinc/78/27/51/940782751.db2.gz	CPNAXBBHEPQERU-ZVDOUQERSA-N	1	0	367.493	1.805	20	30		FDEDRO
C=CCCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCCOC)CC1	ZINC001131610608	940790778	/nfs/dbraw/zinc/79/07/78/940790778.db2.gz	YTNPNIMDDNDCMD-QUCCMNQESA-N	1	0	368.518	1.991	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)[C@@H]1CCCO1	ZINC000809310364	940814886	/nfs/dbraw/zinc/81/48/86/940814886.db2.gz	RDDJAVXCOPLYFL-QYZOEREBSA-N	1	0	369.465	1.016	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)N1CCC(C[N@@H+](C)CCCC)CC1)[C@@H]1CCCO1	ZINC000809313032	940815878	/nfs/dbraw/zinc/81/58/78/940815878.db2.gz	QAEZNAPGJVSDTA-MSOLQXFVSA-N	1	0	363.502	1.254	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)[C@H](C)C1	ZINC000809503446	940845377	/nfs/dbraw/zinc/84/53/77/940845377.db2.gz	ZQXHFOYUSXXQMY-RHSMWYFYSA-N	1	0	372.469	1.372	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1C#N	ZINC000809504117	940846070	/nfs/dbraw/zinc/84/60/70/940846070.db2.gz	GKILQQSBCVIVDY-WBVHZDCISA-N	1	0	370.453	1.126	20	30		FDEDRO
CC(C)n1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)nn1	ZINC001086676082	940924513	/nfs/dbraw/zinc/92/45/13/940924513.db2.gz	TXLVTDZITFBKPE-UONOGXRCSA-N	1	0	355.446	1.747	20	30		FDEDRO
Cc1cc(C)n(CC[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1	ZINC001086676322	940933444	/nfs/dbraw/zinc/93/34/44/940933444.db2.gz	SCCXYNRNEUWVOJ-JKSUJKDBSA-N	1	0	354.458	1.888	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)CC[NH+](CC)CC)c1	ZINC000810042395	940939684	/nfs/dbraw/zinc/93/96/84/940939684.db2.gz	SMVUXSDEAUOCOU-UHFFFAOYSA-N	1	0	351.472	1.210	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H](C2CC[NH+](CC(=O)NCC#N)CC2)C1	ZINC000810086048	940948448	/nfs/dbraw/zinc/94/84/48/940948448.db2.gz	LZXXKCLUDYISLW-OAHLLOKOSA-N	1	0	350.463	1.595	20	30		FDEDRO
CC(C)n1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)nn1	ZINC001086676776	940949132	/nfs/dbraw/zinc/94/91/32/940949132.db2.gz	VENZVLDZXZXZHA-DZGCQCFKSA-N	1	0	355.446	1.747	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1)C(=O)N1CCCCC1	ZINC001086676954	940953527	/nfs/dbraw/zinc/95/35/27/940953527.db2.gz	CCEBHNOQUFSWNQ-YQQAZPJKSA-N	1	0	371.485	1.775	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(Cl)cc1	ZINC000810470335	940998568	/nfs/dbraw/zinc/99/85/68/940998568.db2.gz	IZTWOVXUYOLBGX-OAHLLOKOSA-N	1	0	373.844	1.527	20	30		FDEDRO
CSC1(CNC(=O)NCCNc2ccc(C#N)cn2)CC[NH+](C)CC1	ZINC000811862381	941169050	/nfs/dbraw/zinc/16/90/50/941169050.db2.gz	GDGJWFSHPIAQEM-UHFFFAOYSA-N	1	0	362.503	1.492	20	30		FDEDRO
C#C[C@@H](NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C(C)(C)C	ZINC000812121914	941182973	/nfs/dbraw/zinc/18/29/73/941182973.db2.gz	FKDWGLVIAYLKOX-MRXNPFEDSA-N	1	0	364.534	1.960	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(=O)NCc2ccc(OCCC)cc2)CC1	ZINC000747816787	941271737	/nfs/dbraw/zinc/27/17/37/941271737.db2.gz	WUEYPMIHMMYVCZ-UHFFFAOYSA-N	1	0	371.481	1.553	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCCN(c2ccccc2)C1=O	ZINC001134054214	941530690	/nfs/dbraw/zinc/53/06/90/941530690.db2.gz	AJGZOJKMNXFRQY-KURKYZTESA-N	1	0	357.454	1.479	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cncn1C	ZINC001134049847	941538060	/nfs/dbraw/zinc/53/80/60/941538060.db2.gz	RENOWAVQBXEJNY-HZPDHXFCSA-N	1	0	353.426	1.310	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)COc1ccc(C)cc1C	ZINC001134062108	941540756	/nfs/dbraw/zinc/54/07/56/941540756.db2.gz	RPUMESUVXCPCTN-KURKYZTESA-N	1	0	362.470	1.340	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cncc(C)c2)C1	ZINC001086720758	941619481	/nfs/dbraw/zinc/61/94/81/941619481.db2.gz	MPPMFZIUCLWSOX-SXLOBPIMSA-N	1	0	354.498	1.862	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2oc(C)nc2C)C1	ZINC001086720612	941625343	/nfs/dbraw/zinc/62/53/43/941625343.db2.gz	FYPGUXAINKKFKM-KSZLIROESA-N	1	0	358.486	1.764	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)CC1	ZINC000814667199	941704554	/nfs/dbraw/zinc/70/45/54/941704554.db2.gz	HLTJWLVNAGWKDW-HXUWFJFHSA-N	1	0	355.482	1.257	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(=O)N(C)Cc2cccc(OC)c2)CC1	ZINC000747969158	941707261	/nfs/dbraw/zinc/70/72/61/941707261.db2.gz	SWAFGZYGAWZZID-UHFFFAOYSA-N	1	0	357.454	1.115	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC1	ZINC000747976994	941723335	/nfs/dbraw/zinc/72/33/35/941723335.db2.gz	JXAPMXFPCQYIIZ-SFHVURJKSA-N	1	0	362.518	1.668	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)CC1	ZINC000747981161	941727571	/nfs/dbraw/zinc/72/75/71/941727571.db2.gz	JIZHVPLUAVEGRI-UHFFFAOYSA-N	1	0	362.518	1.812	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(C)c(C(=O)OC(C)C)c1	ZINC000815082480	941777243	/nfs/dbraw/zinc/77/72/43/941777243.db2.gz	UKHQVQJBHSOLNE-UHFFFAOYSA-N	1	0	366.483	1.794	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC(C)(C)CC	ZINC001135067603	941883253	/nfs/dbraw/zinc/88/32/53/941883253.db2.gz	DBXFDCZGMKLXNO-PMPSAXMXSA-N	1	0	353.507	1.757	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccnc1N1CCCCC1	ZINC000815861063	941997487	/nfs/dbraw/zinc/99/74/87/941997487.db2.gz	PCNKEIXAXGAAQH-UHFFFAOYSA-N	1	0	357.458	1.082	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OCC	ZINC000815861347	941997639	/nfs/dbraw/zinc/99/76/39/941997639.db2.gz	DELYHBGDJMHMEH-UHFFFAOYSA-N	1	0	362.386	1.003	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3[nH]c(C)cc3C)C2)C1=O	ZINC001086734097	942084419	/nfs/dbraw/zinc/08/44/19/942084419.db2.gz	SWLKNEDZHFNNBX-BBWFWOEESA-N	1	0	358.486	1.907	20	30		FDEDRO
C#CC[C@]1(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)CCCN1C(=O)OC(C)(C)C	ZINC000816950108	942397890	/nfs/dbraw/zinc/39/78/90/942397890.db2.gz	LXLMAOLEPWLPCE-JXXFODFXSA-N	1	0	361.486	1.942	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=O)NC1CC1	ZINC001170851831	942454015	/nfs/dbraw/zinc/45/40/15/942454015.db2.gz	BCGYWSGCAAWWFY-OIISXLGYSA-N	1	0	351.491	1.511	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H](C)c3nnc(CC)[nH]3)C2)c1	ZINC001086798733	942623307	/nfs/dbraw/zinc/62/33/07/942623307.db2.gz	CTOSNWBTMIFLPC-UKPHBRMFSA-N	1	0	366.469	1.993	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3snnc3C)C2)c1	ZINC001086798304	942634424	/nfs/dbraw/zinc/63/44/24/942634424.db2.gz	GXGDKIIVBRCDHF-GOEBONIOSA-N	1	0	355.467	1.911	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NC1CCC([NH+](C)C)CC1	ZINC000817400052	942758277	/nfs/dbraw/zinc/75/82/77/942758277.db2.gz	FQRMVOOPTSWCTR-UHFFFAOYSA-N	1	0	361.417	1.765	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cn(CC3CC3)nn2)C1	ZINC001086806513	942805554	/nfs/dbraw/zinc/80/55/54/942805554.db2.gz	YCWKPPYRXBKEDH-ISARSNTHSA-N	1	0	373.501	1.654	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)ccc1F	ZINC000818003762	943105183	/nfs/dbraw/zinc/10/51/83/943105183.db2.gz	DNZMPEBCFBKUFE-AWEZNQCLSA-N	1	0	355.435	1.099	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[N@H+](CCCCC2CCOCC2)C[C@H]1O	ZINC001195472585	970975647	/nfs/dbraw/zinc/97/56/47/970975647.db2.gz	BRVBCKMBNRCOFP-RTBURBONSA-N	1	0	350.503	1.938	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2[NH2+]CC2(C)C)c1	ZINC000818498752	943256331	/nfs/dbraw/zinc/25/63/31/943256331.db2.gz	CRKAWKXERRFLHU-AUQXIXNCSA-N	1	0	364.471	1.436	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NCCC[C@H]2CCC[NH2+]2)ccc1F	ZINC000818595326	943325727	/nfs/dbraw/zinc/32/57/27/943325727.db2.gz	HGYFHEIGCOPYIS-CQSZACIVSA-N	1	0	369.462	1.552	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C[C@@H]1CCCN(C(=O)NCC(C)C)C1	ZINC000818606305	943329939	/nfs/dbraw/zinc/32/99/39/943329939.db2.gz	KULCAGQBJXLCQF-KRWDZBQOSA-N	1	0	350.507	1.525	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@H]1COc2ccc(Br)cc21	ZINC000818609450	943330883	/nfs/dbraw/zinc/33/08/83/943330883.db2.gz	XTIFDFMIIGDESH-AWEZNQCLSA-N	1	0	351.244	1.996	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1F	ZINC000818609458	943331130	/nfs/dbraw/zinc/33/11/30/943331130.db2.gz	YGWVRMZUHQDMQW-UHFFFAOYSA-N	1	0	369.462	1.197	20	30		FDEDRO
N#Cc1ccc(NCC[NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)nc1	ZINC000818952364	943361628	/nfs/dbraw/zinc/36/16/28/943361628.db2.gz	JRIKIQBZLMGFJR-OAHLLOKOSA-N	1	0	351.410	1.876	20	30		FDEDRO
N#Cc1ccc(NCC[NH2+]C[C@H](O)COc2cccc3[nH]ccc32)nc1	ZINC000818952363	943361689	/nfs/dbraw/zinc/36/16/89/943361689.db2.gz	JRIKIQBZLMGFJR-HNNXBMFYSA-N	1	0	351.410	1.876	20	30		FDEDRO
CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]CCNc2ccc(C#N)cn2)cc1	ZINC000818952137	943361873	/nfs/dbraw/zinc/36/18/73/943361873.db2.gz	FOKABSIHWWSWCF-KRWDZBQOSA-N	1	0	369.425	1.353	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1CCCCN1C(=O)OC(C)(C)C	ZINC000818979409	943368667	/nfs/dbraw/zinc/36/86/67/943368667.db2.gz	LTGXKCQHODVVFH-HZPDHXFCSA-N	1	0	354.495	1.572	20	30		FDEDRO
CS(=O)(=O)c1ccc([C@H](O)C[NH2+]Cc2ccc(OCC#N)cc2)cc1	ZINC000819011671	943383743	/nfs/dbraw/zinc/38/37/43/943383743.db2.gz	VLKBKUGBJZAQKH-GOSISDBHSA-N	1	0	360.435	1.816	20	30		FDEDRO
Cn1ccnc1[C@@](O)(CC[NH2+]C[C@@H](O)c1ccc(C#N)cc1)C(F)(F)F	ZINC000818969966	943387691	/nfs/dbraw/zinc/38/76/91/943387691.db2.gz	JZCRNBAQHCGIKD-ZBFHGGJFSA-N	1	0	368.359	1.755	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC[C@H]3CCCCO3)C2)nn1	ZINC001086823616	943390210	/nfs/dbraw/zinc/39/02/10/943390210.db2.gz	NBPMOPIQYUOBOR-GVDBMIGSSA-N	1	0	361.490	1.911	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC[C@@H]3CCCCO3)C2)nn1	ZINC001086823615	943390333	/nfs/dbraw/zinc/39/03/33/943390333.db2.gz	NBPMOPIQYUOBOR-BBWFWOEESA-N	1	0	361.490	1.911	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]CCNc2ncccc2C#N)cc1	ZINC000818976133	943390932	/nfs/dbraw/zinc/39/09/32/943390932.db2.gz	UXBIRJPBRULZBT-KRWDZBQOSA-N	1	0	351.410	1.461	20	30		FDEDRO
O=C(NCC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1)C1N=CC=CC1=O	ZINC000819052322	943396306	/nfs/dbraw/zinc/39/63/06/943396306.db2.gz	CLQCWNKQPFBGME-VLUKHXRESA-N	1	0	365.817	1.196	20	30		FDEDRO
O=C(NCC[NH2+]C[C@@H](O)COc1ccccc1Cl)C1N=CC=CC1=O	ZINC000819052255	943396311	/nfs/dbraw/zinc/39/63/11/943396311.db2.gz	AUIOSCRNICMXBR-QIVXWBPLSA-N	1	0	365.817	1.196	20	30		FDEDRO
Cc1cc(C)cc(OC[C@H](O)C[NH2+]CCNC(=O)C2N=CC=CC2=O)c1	ZINC000819055754	943397376	/nfs/dbraw/zinc/39/73/76/943397376.db2.gz	WTAIJNJMRFWOCJ-AMGRQBIBSA-N	1	0	359.426	1.159	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000819093223	943417320	/nfs/dbraw/zinc/41/73/20/943417320.db2.gz	LZOJZPQOYNPVKJ-GPANFISMSA-N	1	0	354.495	1.618	20	30		FDEDRO
CC[C@@H](C#N)Oc1cc(C[NH2+]C[C@@H](O)CN2CCOCC2)ccc1OC	ZINC000819070676	943429228	/nfs/dbraw/zinc/42/92/28/943429228.db2.gz	YUYQPTNSWFNGJI-SJORKVTESA-N	1	0	363.458	1.159	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@@H]3CCCOC3)C2)nn1	ZINC001086824885	943437115	/nfs/dbraw/zinc/43/71/15/943437115.db2.gz	DTQCUDRADWDMTC-YESZJQIVSA-N	1	0	361.490	1.769	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H](C)c3cnccn3)C2)nn1	ZINC001086825042	943437999	/nfs/dbraw/zinc/43/79/99/943437999.db2.gz	NLICLIBMNPOLLS-OWCLPIDISA-N	1	0	369.473	1.894	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nncs3)C2)nn1	ZINC001086825184	943441454	/nfs/dbraw/zinc/44/14/54/943441454.db2.gz	VZXFYXMVRROLOP-QWHCGFSZSA-N	1	0	361.475	1.394	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCc3ccnn3C)C2)nn1	ZINC001086825210	943444410	/nfs/dbraw/zinc/44/44/10/943444410.db2.gz	XXLMONAOZUMBDZ-JKSUJKDBSA-N	1	0	371.489	1.319	20	30		FDEDRO
C[NH+](C)C[C@H]1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1	ZINC000819284496	943502624	/nfs/dbraw/zinc/50/26/24/943502624.db2.gz	RUTVKWBTTCSTQY-CABCVRRESA-N	1	0	352.479	1.984	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)c1ccc(N2CCCNC2=O)cc1	ZINC000819325856	943527318	/nfs/dbraw/zinc/52/73/18/943527318.db2.gz	KJOCBLDMJJIYGM-MAUKXSAKSA-N	1	0	359.474	1.463	20	30		FDEDRO
C#CCN(C)CCC[NH2+]C[C@]1(O)CCCN(C(=O)OC(C)(C)C)CC1	ZINC000819334339	943531088	/nfs/dbraw/zinc/53/10/88/943531088.db2.gz	GWRLQQMQOKVSTF-IBGZPJMESA-N	1	0	353.507	1.683	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[NH2+]CCn2cc(Br)ccc2=O)cc1	ZINC000819339178	943532502	/nfs/dbraw/zinc/53/25/02/943532502.db2.gz	KYRQDOQXWQINAY-HNNXBMFYSA-N	1	0	362.227	1.806	20	30		FDEDRO
C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1	ZINC000819541424	943609634	/nfs/dbraw/zinc/60/96/34/943609634.db2.gz	SUHUUCHYWQIHQD-KKUMJFAQSA-N	1	0	350.463	1.736	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)s1	ZINC000820265821	943985394	/nfs/dbraw/zinc/98/53/94/943985394.db2.gz	OXAAYYRQCQCLRJ-OLZOCXBDSA-N	1	0	371.528	1.354	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1)c1ccc(Cl)cc1	ZINC000820553506	944095985	/nfs/dbraw/zinc/09/59/85/944095985.db2.gz	UCQGBMLFRJMACK-GDBMZVCRSA-N	1	0	363.845	1.761	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC2CCC2)NC(C)=O)C1	ZINC001195587085	971057239	/nfs/dbraw/zinc/05/72/39/971057239.db2.gz	FEMGMCWKEQRDGY-GUDVDZBRSA-N	1	0	365.518	1.589	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnc3ccc(C)cc32)C1	ZINC001195594242	971065381	/nfs/dbraw/zinc/06/53/81/971065381.db2.gz	JWRFTPBATZPXGX-SZVBFZGTSA-N	1	0	356.470	1.861	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O	ZINC001195568341	971079247	/nfs/dbraw/zinc/07/92/47/971079247.db2.gz	XYEJULGPEAUOCE-KFKAGJAMSA-N	1	0	358.482	1.928	20	30		FDEDRO
CCOC(=O)CNC(=S)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC001195567353	971078341	/nfs/dbraw/zinc/07/83/41/971078341.db2.gz	CCXGLXSEULXHNZ-UHFFFAOYSA-N	1	0	360.483	1.550	20	30		FDEDRO
CON=C(C(=O)N1CCC(CCC[NH+](C)C)CC1)c1csc(N)n1	ZINC000821454503	944512103	/nfs/dbraw/zinc/51/21/03/944512103.db2.gz	WBJPSMHFAHBQQO-UHFFFAOYSA-N	1	0	353.492	1.656	20	30		FDEDRO
C[NH+](C)CCSc1nc(CC(=O)N[C@]2(C#N)CCSC2)cs1	ZINC001136560511	944907879	/nfs/dbraw/zinc/90/78/79/944907879.db2.gz	PHSRVYABCLEVJV-AWEZNQCLSA-N	1	0	356.542	1.855	20	30		FDEDRO
CSCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NCC#CC[NH+](C)C	ZINC001170986026	944958238	/nfs/dbraw/zinc/95/82/38/944958238.db2.gz	XLATXIXDMQPPEM-QGZVFWFLSA-N	1	0	361.511	1.148	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C	ZINC000822452184	945007113	/nfs/dbraw/zinc/00/71/13/945007113.db2.gz	WCULWHQPPWHGSN-AWEZNQCLSA-N	1	0	361.446	1.461	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCc2cccs2)C[C@H]1O	ZINC001195726575	971157671	/nfs/dbraw/zinc/15/76/71/971157671.db2.gz	YTBOOEYHTRCFPK-USXIJHARSA-N	1	0	368.499	1.143	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CSC(c2ccccc2O)=N1	ZINC000823735879	945943018	/nfs/dbraw/zinc/94/30/18/945943018.db2.gz	KLMHKAFQXSOHGN-HNNXBMFYSA-N	1	0	360.483	1.948	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCOC)C1	ZINC001111556736	946344825	/nfs/dbraw/zinc/34/48/25/946344825.db2.gz	SLGUZSDYBBYRGP-ZWOKBUDYSA-N	1	0	365.518	1.807	20	30		FDEDRO
C#CCC[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1	ZINC000823845418	946490523	/nfs/dbraw/zinc/49/05/23/946490523.db2.gz	REHDMJAAGOBRSS-UHFFFAOYSA-N	1	0	362.384	1.609	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1	ZINC001090789676	946666267	/nfs/dbraw/zinc/66/62/67/946666267.db2.gz	IWDJYQKNGWWYFU-CRAIPNDOSA-N	1	0	370.501	1.944	20	30		FDEDRO
C#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1	ZINC001573283708	946722125	/nfs/dbraw/zinc/72/21/25/946722125.db2.gz	VCXXOARXZGOFTB-KBPBESRZSA-N	1	0	353.430	1.002	20	30		FDEDRO
C#CCCCC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCCC1	ZINC001573283820	946728487	/nfs/dbraw/zinc/72/84/87/946728487.db2.gz	NDAWIADIKZCTTH-UHFFFAOYSA-N	1	0	353.430	1.328	20	30		FDEDRO
C#CCCCC(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CC1	ZINC001573284633	946753307	/nfs/dbraw/zinc/75/33/07/946753307.db2.gz	IFFRZVLBMXRLDH-QGZVFWFLSA-N	1	0	370.432	1.794	20	30		FDEDRO
C#Cc1ccc(C(=O)NCCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)nc1	ZINC001573286726	946817738	/nfs/dbraw/zinc/81/77/38/946817738.db2.gz	AQGSYBMSHOUNJH-UHFFFAOYSA-N	1	0	361.409	1.153	20	30		FDEDRO
C=C(C)CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1	ZINC001573293802	946966896	/nfs/dbraw/zinc/96/68/96/946966896.db2.gz	JZKBXSZGLWCYNS-KBPBESRZSA-N	1	0	357.462	1.991	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573563812	946985854	/nfs/dbraw/zinc/98/58/54/946985854.db2.gz	COUSGDNGBJPUHM-UGSOOPFHSA-N	1	0	353.430	1.355	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H](C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573564384	946992515	/nfs/dbraw/zinc/99/25/15/946992515.db2.gz	ICGSDLIPAIKOED-DZGCQCFKSA-N	1	0	353.430	1.307	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nn[nH]n3)s1)C2	ZINC001573564500	946995153	/nfs/dbraw/zinc/99/51/53/946995153.db2.gz	JNDRSBRRZGSQLC-NSHDSACASA-N	1	0	357.443	1.122	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC(C)([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC001573564777	946996194	/nfs/dbraw/zinc/99/61/94/946996194.db2.gz	KNDMMNDUBVDMAG-CYBMUJFWSA-N	1	0	353.430	1.497	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1	ZINC001573294831	946999206	/nfs/dbraw/zinc/99/92/06/946999206.db2.gz	HYNPHEQSYOKTAA-LLVKDONJSA-N	1	0	363.853	1.778	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC([N@H+](C)Cc2cc(-c3nn[nH]n3)ccc2F)CC1	ZINC001573565114	947002233	/nfs/dbraw/zinc/00/22/33/947002233.db2.gz	NJDFJKXAZKCSJW-LBPRGKRZSA-N	1	0	371.420	1.588	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nn[nH]n3)cc1F)C2	ZINC001573565707	947013625	/nfs/dbraw/zinc/01/36/25/947013625.db2.gz	URDMRRWEOPTYAO-LBPRGKRZSA-N	1	0	369.404	1.200	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573566405	947026096	/nfs/dbraw/zinc/02/60/96/947026096.db2.gz	CFFVQYFBTVIFSG-SMDDNHRTSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001573566510	947027440	/nfs/dbraw/zinc/02/74/40/947027440.db2.gz	COGIYTSKPMDLKE-HOCLYGCPSA-N	1	0	367.457	1.887	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CCCCNc1ccc2nc([C@@H]3CC[NH2+]C3)nn2c1	ZINC001171075332	947031014	/nfs/dbraw/zinc/03/10/14/947031014.db2.gz	VBHKIKOCPDPWQB-ZBFHGGJFSA-N	1	0	372.473	1.445	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573296099	947040083	/nfs/dbraw/zinc/04/00/83/947040083.db2.gz	ZEDQKBXSQIBEGE-RISCZKNCSA-N	1	0	363.853	1.920	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573567711	947052126	/nfs/dbraw/zinc/05/21/26/947052126.db2.gz	RGFZRIKASJYNJM-OLZOCXBDSA-N	1	0	354.418	1.096	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H](CCCC)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573296878	947053413	/nfs/dbraw/zinc/05/34/13/947053413.db2.gz	ADTGEIDUGPCYPN-GFCCVEGCSA-N	1	0	351.842	1.826	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@H](NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CCCC1	ZINC001573297439	947061750	/nfs/dbraw/zinc/06/17/50/947061750.db2.gz	HPVZRQYYTNOCSR-AWEZNQCLSA-N	1	0	363.853	1.826	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573567994	947061786	/nfs/dbraw/zinc/06/17/86/947061786.db2.gz	WDSXXGZZNKCOCD-RISCZKNCSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1	ZINC001573568237	947071705	/nfs/dbraw/zinc/07/17/05/947071705.db2.gz	ZTWFUQYJXUISMP-NWDGAFQWSA-N	1	0	359.459	1.416	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H](CCCC)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001573298619	947079699	/nfs/dbraw/zinc/07/96/99/947079699.db2.gz	QLWPOIJDWDEZAA-LLVKDONJSA-N	1	0	351.842	1.826	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)CC[C@@H]2C1	ZINC001573569953	947081707	/nfs/dbraw/zinc/08/17/07/947081707.db2.gz	HRGCDDJETCGRLH-XKQJLSEDSA-N	1	0	365.441	1.307	20	30		FDEDRO
C=CC(C)(C)C(=O)N(C)C1CC(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1	ZINC001573299566	947096863	/nfs/dbraw/zinc/09/68/63/947096863.db2.gz	FSTGNFKYMDXDIX-UHFFFAOYSA-N	1	0	355.446	1.606	20	30		FDEDRO
C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573300212	947106440	/nfs/dbraw/zinc/10/64/40/947106440.db2.gz	VVJKCWYBRFNBAH-UHFFFAOYSA-N	1	0	351.842	1.635	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)CC2	ZINC001573572055	947108115	/nfs/dbraw/zinc/10/81/15/947108115.db2.gz	DKILRJNERJCRGF-AZOIQLNYSA-N	1	0	365.441	1.640	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573300476	947112942	/nfs/dbraw/zinc/11/29/42/947112942.db2.gz	YBGDCFITHIXDBN-AAEUAGOBSA-N	1	0	363.853	1.826	20	30		FDEDRO
C[C@H](C#N)C(=O)NC1(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCCC1	ZINC001573573024	947116614	/nfs/dbraw/zinc/11/66/14/947116614.db2.gz	LFRIBSQDRAVJHX-GFCCVEGCSA-N	1	0	371.420	1.684	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C(C)(C)C	ZINC001573573018	947118073	/nfs/dbraw/zinc/11/80/73/947118073.db2.gz	KZOVLDBOSWDJFE-NHYWBVRUSA-N	1	0	373.436	1.786	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1(C)C	ZINC001573574118	947128315	/nfs/dbraw/zinc/12/83/15/947128315.db2.gz	QWXIOSINNCTNNV-BBRMVZONSA-N	1	0	367.457	1.743	20	30		FDEDRO
C[C@H](C#N)C(=O)NC1(C)CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1	ZINC001573574372	947128622	/nfs/dbraw/zinc/12/86/22/947128622.db2.gz	RMPCAEBHBVJGFO-CYBMUJFWSA-N	1	0	353.430	1.497	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC1CC2(C1)CC([NH2+]Cc1ccc(-c3nn[nH]n3)cc1)C2	ZINC001573575408	947139550	/nfs/dbraw/zinc/13/95/50/947139550.db2.gz	YSSRCOVZLIKLKI-PGVXHYKTSA-N	1	0	365.441	1.543	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@H]([NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1	ZINC001573576604	947154168	/nfs/dbraw/zinc/15/41/68/947154168.db2.gz	ICUVFXXSJCLQJU-BMIGLBTASA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1	ZINC001573576627	947154430	/nfs/dbraw/zinc/15/44/30/947154430.db2.gz	IIGHXZZWVYQEGR-YOEHRIQHSA-N	1	0	367.457	1.887	20	30		FDEDRO
C[C@H](C#N)C(=O)NCCC1(C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1	ZINC001573583817	947211763	/nfs/dbraw/zinc/21/17/63/947211763.db2.gz	PJBBMZNAJHTYIY-GFCCVEGCSA-N	1	0	371.420	1.542	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@H]1CCC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573584377	947221874	/nfs/dbraw/zinc/22/18/74/947221874.db2.gz	VATRTOLPZOKUMR-QWHCGFSZSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573584467	947223752	/nfs/dbraw/zinc/22/37/52/947223752.db2.gz	WKMFBIQBNXVRIB-UKRRQHHQSA-N	1	0	353.430	1.355	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1CCC(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1	ZINC001573314352	947229436	/nfs/dbraw/zinc/22/94/36/947229436.db2.gz	BGZFJZLJALLNTJ-CQSZACIVSA-N	1	0	369.473	1.936	20	30		FDEDRO
C[C@H](C#N)C(=O)NCc1ccc(CNc2cc[nH+]cc2-c2nn[nH]n2)cc1	ZINC001573585479	947258645	/nfs/dbraw/zinc/25/86/45/947258645.db2.gz	PUYGOWPWNCRJGN-GFCCVEGCSA-N	1	0	362.397	1.072	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N(CC)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1	ZINC001573315789	947259560	/nfs/dbraw/zinc/25/95/60/947259560.db2.gz	PQFNBKVGLRHUNE-CQSZACIVSA-N	1	0	357.462	1.855	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cccc(-c3nn[nH]n3)c1)C2	ZINC001573586330	947286700	/nfs/dbraw/zinc/28/67/00/947286700.db2.gz	OGYBZIBZHRDNSZ-AXHNFQJDSA-N	1	0	365.441	1.497	20	30		FDEDRO
CCc1ccc(C#CC(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)cc1	ZINC000843884218	947376152	/nfs/dbraw/zinc/37/61/52/947376152.db2.gz	BYZHBPUHYUISNS-LJQANCHMSA-N	1	0	353.466	1.412	20	30		FDEDRO
C=CCCC(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C12CCC2	ZINC001573327329	947386268	/nfs/dbraw/zinc/38/62/68/947386268.db2.gz	CFMCAIJTSQFVLT-GJZGRUSLSA-N	1	0	353.430	1.489	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2ncc[nH]2)C[C@H]1c1ccc(OC)cc1	ZINC001090870262	947387226	/nfs/dbraw/zinc/38/72/26/947387226.db2.gz	BPAQVDFAHIYHOE-ZWKOTPCHSA-N	1	0	352.438	1.568	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cc(C)on2)C[C@H]1c1ccc(OC)cc1	ZINC001090866625	947406351	/nfs/dbraw/zinc/40/63/51/947406351.db2.gz	JPEHVEUHRRQXLA-RBUKOAKNSA-N	1	0	353.422	1.752	20	30		FDEDRO
C=CCCC(=O)N[C@@](C)(CNc1cc(C)[nH+]cc1-c1nn[nH]n1)C1CC1	ZINC001573328578	947409846	/nfs/dbraw/zinc/40/98/46/947409846.db2.gz	YOSOISFNHQTEOX-SFHVURJKSA-N	1	0	355.446	1.655	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(CCOC[C@@H]3CCCCO3)C[C@H]2O)C1	ZINC001196019217	971385420	/nfs/dbraw/zinc/38/54/20/971385420.db2.gz	ACFZFWSVYGYFOS-GVDBMIGSSA-N	1	0	352.475	1.090	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)S(C)(=O)=O)C[C@H]1c1ccc(OC)cc1	ZINC001090875340	947489914	/nfs/dbraw/zinc/48/99/14/947489914.db2.gz	OUAMNKYSBFGHJZ-RRQGHBQHSA-N	1	0	366.483	1.198	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2NCC#N)cc1	ZINC001090875497	947493361	/nfs/dbraw/zinc/49/33/61/947493361.db2.gz	WTGFYMWHSUNKPY-RBUKOAKNSA-N	1	0	368.481	1.731	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H](NCC#N)C1	ZINC001090873019	947505587	/nfs/dbraw/zinc/50/55/87/947505587.db2.gz	XDAFAQTVUMWDBZ-ZCNNSNEGSA-N	1	0	370.497	1.977	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1	ZINC001573336819	947511448	/nfs/dbraw/zinc/51/14/48/947511448.db2.gz	ROIZYUIINKPRNC-MGPQQGTHSA-N	1	0	371.445	1.032	20	30		FDEDRO
C=CCN(C)CC[N@@H+](CC)Cc1cccc(C(=O)OC)c1-c1nn[nH]n1	ZINC001573340777	947522090	/nfs/dbraw/zinc/52/20/90/947522090.db2.gz	AGOBXHWOVLIFKG-UHFFFAOYSA-N	1	0	358.446	1.593	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1c1ccc(OC)cc1	ZINC001090874274	947523265	/nfs/dbraw/zinc/52/32/65/947523265.db2.gz	GPUSHOUAPAYRSK-FZDIXFNVSA-N	1	0	360.454	1.569	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1	ZINC001573347296	947571941	/nfs/dbraw/zinc/57/19/41/947571941.db2.gz	BOUIDGKQNCHJAT-CHWSQXEVSA-N	1	0	359.434	1.028	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(-c2nn[nH]n2)s1	ZINC001573350367	947597300	/nfs/dbraw/zinc/59/73/00/947597300.db2.gz	ASAXNIWSFRXSHZ-JKWAOEONSA-N	1	0	374.470	1.281	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](c3ccc(OC)cc3)[C@H]([NH2+]CC(N)=O)C2)C1	ZINC001090881023	947597886	/nfs/dbraw/zinc/59/78/86/947597886.db2.gz	VGZCJJWYDCFOOU-DLBZAZTESA-N	1	0	357.454	1.421	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](c3ccc(OC)cc3)[C@H]([NH2+]CC)C2)nn1	ZINC001090881763	947605140	/nfs/dbraw/zinc/60/51/40/947605140.db2.gz	OASSTELQADSETF-DLBZAZTESA-N	1	0	355.442	1.690	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1c1ccc(OC)cc1	ZINC001090884284	947638947	/nfs/dbraw/zinc/63/89/47/947638947.db2.gz	IBIFCIPGOBHAGX-OKZBNKHCSA-N	1	0	357.454	1.434	20	30		FDEDRO
CC#CC[NH2+]CCN(Cc1ccccc1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001573358750	947670853	/nfs/dbraw/zinc/67/08/53/947670853.db2.gz	PSTAXCQOFIYZQR-UHFFFAOYSA-N	1	0	363.425	1.450	20	30		FDEDRO
CO[C@@H](CC(C)C)C(=O)N[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@H]1O	ZINC001196036865	971416334	/nfs/dbraw/zinc/41/63/34/971416334.db2.gz	FPUHBNYINIHZQP-KURKYZTESA-N	1	0	363.433	1.420	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CCCCc3ccccc3)C[C@H]2O)c1	ZINC001196044630	971424701	/nfs/dbraw/zinc/42/47/01/971424701.db2.gz	AVBPGKSQQIAOTA-NHCUHLMSSA-N	1	0	363.461	1.861	20	30		FDEDRO
CC[C@@H](C(=O)N[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@H]1OC)[NH+](C)C	ZINC001090904408	947882412	/nfs/dbraw/zinc/88/24/12/947882412.db2.gz	DNFOHIGJJTZVBA-QLFBSQMISA-N	1	0	365.865	1.267	20	30		FDEDRO
N#Cc1cncc(C[N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccno4)[C@H]3C2)c1	ZINC001144080014	948200202	/nfs/dbraw/zinc/20/02/02/948200202.db2.gz	AQGCQHRVSRABRI-XYJFISCASA-N	1	0	367.409	1.208	20	30		FDEDRO
N#Cc1cncc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@@H]3CC(=O)NC3CCC3)C2)c1	ZINC001144080413	948202035	/nfs/dbraw/zinc/20/20/35/948202035.db2.gz	LBZRQSQGCQVMRU-BHIYHBOVSA-N	1	0	354.454	1.849	20	30		FDEDRO
N#Cc1ccc(C[NH+]2CCC3(C[C@@H](C(=O)NC4CCC4)CO3)CC2)nc1	ZINC001144158576	948301966	/nfs/dbraw/zinc/30/19/66/948301966.db2.gz	LOWRNWJQSNLXNR-MRXNPFEDSA-N	1	0	354.454	1.993	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@@H]3CC(=O)NCC3CC3)C2)nc1	ZINC001144158629	948303270	/nfs/dbraw/zinc/30/32/70/948303270.db2.gz	OARVBUNKGAUDTL-BHIYHBOVSA-N	1	0	354.454	1.706	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1Nc1ccc(C#N)nn1	ZINC001091012207	948439559	/nfs/dbraw/zinc/43/95/59/948439559.db2.gz	WJALRFSEMYHRJC-GDBMZVCRSA-N	1	0	356.474	1.872	20	30		FDEDRO
CCn1nc(C)c(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1	ZINC000845005028	948585771	/nfs/dbraw/zinc/58/57/71/948585771.db2.gz	WUQHYOVWRTYOBJ-UHFFFAOYSA-N	1	0	352.442	1.873	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cccn3)n2)C1	ZINC001196123731	971495787	/nfs/dbraw/zinc/49/57/87/971495787.db2.gz	VRYRPVXZUWRLLX-USXIJHARSA-N	1	0	355.442	1.397	20	30		FDEDRO
Cn1ccc(CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1	ZINC000845084172	948642324	/nfs/dbraw/zinc/64/23/24/948642324.db2.gz	WPGMSRHCYQMYGB-UHFFFAOYSA-N	1	0	352.442	1.756	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)CCCO1	ZINC000845151865	948736441	/nfs/dbraw/zinc/73/64/41/948736441.db2.gz	ISNPIPIJYAYZEH-LPHOPBHVSA-N	1	0	374.485	1.734	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)CCc2ccccc2F)C1	ZINC001196152153	971504785	/nfs/dbraw/zinc/50/47/85/971504785.db2.gz	NJMKGEORUYZSET-ATZDWAIDSA-N	1	0	364.461	1.758	20	30		FDEDRO
C[NH+](C)CCCC(=O)N1CCO[C@@H]2CN(c3cccc(F)c3C#N)C[C@@H]21	ZINC001091058202	948765085	/nfs/dbraw/zinc/76/50/85/948765085.db2.gz	HFAQSVVMUDQQDG-ZWKOTPCHSA-N	1	0	360.433	1.455	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@@H]1O	ZINC001091132596	949517337	/nfs/dbraw/zinc/51/73/37/949517337.db2.gz	BUSLURFUBMLOGB-NEPJUHHUSA-N	1	0	371.894	1.066	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)C(C)(C)NC(=O)COC(C)(C)C)CC1	ZINC000845592579	949684705	/nfs/dbraw/zinc/68/47/05/949684705.db2.gz	NUMVECIQEOJXJC-UHFFFAOYSA-N	1	0	351.491	1.300	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C2CC(CNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)cc1	ZINC001091159368	949853690	/nfs/dbraw/zinc/85/36/90/949853690.db2.gz	IBJRMWPNUPRJFK-KPZODNFCSA-N	1	0	369.465	1.594	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCC4(C3)OCCO4)CC2)c1	ZINC000845741244	949872183	/nfs/dbraw/zinc/87/21/83/949872183.db2.gz	UWDWZWZLZFGEGZ-UHFFFAOYSA-N	1	0	370.453	1.681	20	30		FDEDRO
C[N@H+](CCC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O)C1CCCCC1	ZINC001091164051	949945171	/nfs/dbraw/zinc/94/51/71/949945171.db2.gz	NQNNEMVNBNYFFR-MSOLQXFVSA-N	1	0	371.485	1.274	20	30		FDEDRO
C#Cc1ccc(C[N@H+]2C[C@@H]3COC[C@]3(CNC(=O)N3CCCC3)C2)cc1	ZINC001144568900	949946777	/nfs/dbraw/zinc/94/67/77/949946777.db2.gz	HVUBFJLMZNPZHI-CTNGQTDRSA-N	1	0	353.466	1.922	20	30		FDEDRO
C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1ccccc1C#N	ZINC001574739642	950201994	/nfs/dbraw/zinc/20/19/94/950201994.db2.gz	UPUXYFRRKBGIEM-GFCCVEGCSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CC#N)CC1	ZINC000845931542	950206729	/nfs/dbraw/zinc/20/67/29/950206729.db2.gz	JVPFJRXJYQHDNJ-OAHLLOKOSA-N	1	0	352.479	1.984	20	30		FDEDRO
C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F	ZINC001574983955	950251079	/nfs/dbraw/zinc/25/10/79/950251079.db2.gz	TYFJYKHJKXLFKN-JTQLQIEISA-N	1	0	368.376	1.114	20	30		FDEDRO
C[C@H](Cc1cccc(C#N)c1)[NH+]1CC(N2CCN(c3ncccn3)CC2)C1	ZINC001171203144	950295816	/nfs/dbraw/zinc/29/58/16/950295816.db2.gz	JUYUEGZTWDTLEQ-QGZVFWFLSA-N	1	0	362.481	1.786	20	30		FDEDRO
CC[C@@H](C(=O)N[C@@H]1CN(c2nc(C)ccc2C#N)C[C@@H]1O)[NH+](CC)CC	ZINC001091181321	950339197	/nfs/dbraw/zinc/33/91/97/950339197.db2.gz	ZEVVANLFWRRDTP-IKGGRYGDSA-N	1	0	359.474	1.048	20	30		FDEDRO
C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1cccc(C#N)c1	ZINC001574745020	950372380	/nfs/dbraw/zinc/37/23/80/950372380.db2.gz	FDFXFNCBFHKZBH-LBPRGKRZSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[C@@H](Cc1cccc(C#N)c1)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O	ZINC001171210046	950475554	/nfs/dbraw/zinc/47/55/54/950475554.db2.gz	PMNKXCPDMJEHQK-ZDUSSCGKSA-N	1	0	374.466	1.585	20	30		FDEDRO
COc1ccc(CNC(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1C#N	ZINC000846158252	950577969	/nfs/dbraw/zinc/57/79/69/950577969.db2.gz	VUPODORGHGHEGV-KVSKMBFKSA-N	1	0	372.469	1.995	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CN(c2cccc(F)c2C#N)C[C@@H]1O	ZINC001091195638	950685705	/nfs/dbraw/zinc/68/57/05/950685705.db2.gz	YBLFHOBGNHCODS-QBIMZIAESA-N	1	0	360.433	1.237	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CN(c2cccc(F)c2C#N)C[C@@H]1O	ZINC001091195639	950686113	/nfs/dbraw/zinc/68/61/13/950686113.db2.gz	YBLFHOBGNHCODS-XCRHUMRWSA-N	1	0	360.433	1.237	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CC[C@H]2CCN(c3nc(C)cc(C#N)n3)[C@H]2C1	ZINC001091213755	950947849	/nfs/dbraw/zinc/94/78/49/950947849.db2.gz	QOAZPAKFWKISBJ-RDJZCZTQSA-N	1	0	356.474	1.426	20	30		FDEDRO
N#Cc1cncc(N2CC[C@@H]3CCN(C(=O)CCC[NH+]4CCCC4)C[C@@H]32)n1	ZINC001091214102	950952827	/nfs/dbraw/zinc/95/28/27/950952827.db2.gz	ZZIZZULVRLETIO-WMZOPIPTSA-N	1	0	368.485	1.651	20	30		FDEDRO
C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001575019523	951039884	/nfs/dbraw/zinc/03/98/84/951039884.db2.gz	UZRLQDVVYXJWQC-JTQLQIEISA-N	1	0	368.376	1.114	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(N3CC=CC3)c2)C1	ZINC001196461273	971717222	/nfs/dbraw/zinc/71/72/22/971717222.db2.gz	QZQARWVEHOLPBD-RTBURBONSA-N	1	0	357.454	1.040	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC([NH2+]Cc2cnc(OC)nc2C)C1	ZINC001091238627	951125758	/nfs/dbraw/zinc/12/57/58/951125758.db2.gz	BXPLJRNBSIVHOX-BNICSPFPSA-N	1	0	360.458	1.369	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC[C@H]21	ZINC001571003913	951128384	/nfs/dbraw/zinc/12/83/84/951128384.db2.gz	DRVYGKSYZQQVBO-SMDDNHRTSA-N	1	0	361.837	1.484	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)CCN3CCOCC3)CC2)c1	ZINC000846611528	951373559	/nfs/dbraw/zinc/37/35/59/951373559.db2.gz	BSYMDFDUAPAVNK-UHFFFAOYSA-N	1	0	356.470	1.361	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@H]3OCC[C@H]3C)c2)C1	ZINC001091404968	951599940	/nfs/dbraw/zinc/59/99/40/951599940.db2.gz	QDSKKJXWAYZTQU-LZQZEXGQSA-N	1	0	357.454	1.599	20	30		FDEDRO
COc1cc(C)nc(N(C(=O)c2ncccc2C#N)C2CC[NH2+]CC2)n1	ZINC001196553128	971770947	/nfs/dbraw/zinc/77/09/47/971770947.db2.gz	JKFOBPLAMBSRFP-UHFFFAOYSA-N	1	0	352.398	1.459	20	30		FDEDRO
C#C[C@@H]1CCC[N@@H+](CC(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)C1	ZINC000847021707	951775139	/nfs/dbraw/zinc/77/51/39/951775139.db2.gz	AYOOKWLHEVSYCY-ZWKOTPCHSA-N	1	0	359.514	1.829	20	30		FDEDRO
CN1c2ccccc2C(C)(C)/C1=C/C(=O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000847039169	951790132	/nfs/dbraw/zinc/79/01/32/951790132.db2.gz	HFNVGLMDLUCHBW-ZMMDKTBSSA-N	1	0	355.482	1.618	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCOC3)C[C@]2(C)C1	ZINC001091528358	951946600	/nfs/dbraw/zinc/94/66/00/951946600.db2.gz	DPPHRMXAWIVWER-BLIXFSHQSA-N	1	0	369.465	1.884	20	30		FDEDRO
CC(=O)Nc1nc(CN2C[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@]3(C)C2)cs1	ZINC001091546290	951986988	/nfs/dbraw/zinc/98/69/88/951986988.db2.gz	ZPJZKUODFHCABD-PPHDSNJXSA-N	1	0	361.471	1.541	20	30		FDEDRO
Cc1cc(N[C@@H]2CC[C@H](CNC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c(C#N)cn1	ZINC001091593733	952187083	/nfs/dbraw/zinc/18/70/83/952187083.db2.gz	OLISQUCTWJRQBN-XYJFISCASA-N	1	0	355.486	1.722	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(F)cccc2NC(C)=O)C1	ZINC001196624562	971820970	/nfs/dbraw/zinc/82/09/70/971820970.db2.gz	YKPDILRMXJLXHM-CSMYWGQOSA-N	1	0	363.433	1.914	20	30		FDEDRO
C[NH+]1CCN(CCCNS(=O)(=O)c2cc(Cl)ccc2C#N)CC1	ZINC001196639746	971830519	/nfs/dbraw/zinc/83/05/19/971830519.db2.gz	PRTBDKRPDAQQCF-UHFFFAOYSA-N	1	0	356.879	1.127	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)Cc3nn(C)c4ccccc34)C[C@]2(C)C1	ZINC001091672110	952596284	/nfs/dbraw/zinc/59/62/84/952596284.db2.gz	HLEBQRWDPLNINU-IERDGZPVSA-N	1	0	350.466	1.919	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCc3cnn(C)c3)C[C@@]2(C)C1	ZINC001091682807	952629541	/nfs/dbraw/zinc/62/95/41/952629541.db2.gz	KDNJDFBFHICSIE-BNDYYXHWSA-N	1	0	372.513	1.724	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNc1ccnc(C#N)n1	ZINC001091687471	952642811	/nfs/dbraw/zinc/64/28/11/952642811.db2.gz	JBILXLXYBNJLCJ-CVEARBPZSA-N	1	0	358.490	1.541	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cc([C@H]4CCCN4C)[nH]n3)C[C@]2(C)C1	ZINC001091690691	952663559	/nfs/dbraw/zinc/66/35/59/952663559.db2.gz	LGVOHLJWHSSVSD-ZTNFWEORSA-N	1	0	355.486	1.594	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1	ZINC001091702185	952669670	/nfs/dbraw/zinc/66/96/70/952669670.db2.gz	TXKFDDBILWNEAF-VBHSOAQHSA-N	1	0	367.877	1.351	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CCOCCOC)C2	ZINC001148418422	952724853	/nfs/dbraw/zinc/72/48/53/952724853.db2.gz	KLRCVHAUTMEYOD-IRXDYDNUSA-N	1	0	352.475	1.165	20	30		FDEDRO
C[C@]12CN(C(=O)C[C@H]3CCNC3=O)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001091734613	952761196	/nfs/dbraw/zinc/76/11/96/952761196.db2.gz	YJCQVXALBBOLTR-KNKQGSTJSA-N	1	0	365.477	1.345	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](Cn3cccn3)N(C)C)C[C@]2(C)C1	ZINC001091738220	952767025	/nfs/dbraw/zinc/76/70/25/952767025.db2.gz	XPDIJBQCJHVVQC-HBFSDRIKSA-N	1	0	359.518	1.560	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@@]2(C)C1	ZINC001091738660	952767728	/nfs/dbraw/zinc/76/77/28/952767728.db2.gz	BXCWKQAKTZRZNY-LZJOCLMNSA-N	1	0	370.497	1.689	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cnn(CC(F)(F)F)c3)C[C@]2(C)C1	ZINC001091743785	952777692	/nfs/dbraw/zinc/77/76/92/952777692.db2.gz	WFVUDWLWGRFRIH-ZBFHGGJFSA-N	1	0	354.376	1.863	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cncs3)C[C@@]2(C)C1	ZINC001091749293	952788660	/nfs/dbraw/zinc/78/86/60/952788660.db2.gz	ICZSJQZCUWTNRL-AYBZRNKSSA-N	1	0	358.511	1.521	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3oc(C)nc3C)C[C@@]2(C)C1	ZINC001091748813	952795245	/nfs/dbraw/zinc/79/52/45/952795245.db2.gz	WQVMDXVEMRXBLD-LQWHRVPQSA-N	1	0	370.497	1.669	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[C@@H]3N3CCCC3=O)C[C@]2(C)C1	ZINC001091752211	952803083	/nfs/dbraw/zinc/80/30/83/952803083.db2.gz	RHIVZMMALWRMTA-IWQHBPENSA-N	1	0	371.525	1.971	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnon2)C1	ZINC001086856734	952903395	/nfs/dbraw/zinc/90/33/95/952903395.db2.gz	QSCMYHPASSZSGH-UONOGXRCSA-N	1	0	355.398	1.165	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@H]3CCc4ncnn43)C2)nc1	ZINC001086856986	952903900	/nfs/dbraw/zinc/90/39/00/952903900.db2.gz	FGLMAYMWLLOATA-GVDBMIGSSA-N	1	0	364.453	1.330	20	30		FDEDRO
C=C(Cl)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)CC1	ZINC001086943282	952945603	/nfs/dbraw/zinc/94/56/03/952945603.db2.gz	PYEUHNBSPNLINV-SOUVJXGZSA-N	1	0	369.893	1.475	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccccc2F)C1	ZINC001086970671	952972400	/nfs/dbraw/zinc/97/24/00/952972400.db2.gz	DHEMZJOGXJPSMI-RPVQJOFSSA-N	1	0	355.417	1.803	20	30		FDEDRO
CCc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2c2cnn(C)c2)o1	ZINC001086971235	952974005	/nfs/dbraw/zinc/97/40/05/952974005.db2.gz	DFPJTJGHVLDKKD-VBNZEHGJSA-N	1	0	370.457	1.523	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3nccn32)C[C@H]1c1cnn(C)c1	ZINC001086982242	952994917	/nfs/dbraw/zinc/99/49/17/952994917.db2.gz	AOBDLSREBQQYOD-RCCFBDPRSA-N	1	0	368.485	1.654	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nc3cccnc3s2)C[C@H]1c1cnn(C)c1	ZINC001086982589	952995648	/nfs/dbraw/zinc/99/56/48/952995648.db2.gz	RXWAZZVPXBWRFZ-DZGCQCFKSA-N	1	0	366.450	1.256	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2c(C)nnn2CC)C[C@H]1c1cnn(C)c1	ZINC001086982635	952995717	/nfs/dbraw/zinc/99/57/17/952995717.db2.gz	VDXXJQMHXANSQK-JKSUJKDBSA-N	1	0	357.462	1.114	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cncc3C2)C[C@H]1c1cnn(C)c1	ZINC001086984912	952999901	/nfs/dbraw/zinc/99/99/01/952999901.db2.gz	JSKBSMPLXWORFQ-ZYSHUDEJSA-N	1	0	368.485	1.339	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cccc(C(N)=O)c2)C[C@H]1c1cnn(C)c1	ZINC001086984952	953000941	/nfs/dbraw/zinc/00/09/41/953000941.db2.gz	LKKNKTXUDUWPTR-ZWKOTPCHSA-N	1	0	367.453	1.293	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3ccc(C)cc32)C[C@H]1c1cnn(C)c1	ZINC001086985860	953003661	/nfs/dbraw/zinc/00/36/61/953003661.db2.gz	ISMSLVBGIJOBNR-FUHWJXTLSA-N	1	0	362.437	1.436	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cn3cccnc3n2)C[C@H]1c1cnn(C)c1	ZINC001086985883	953003708	/nfs/dbraw/zinc/00/37/08/953003708.db2.gz	JOCIIEUNHBJIMV-JKSUJKDBSA-N	1	0	365.441	1.237	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2nc(C)c(C)nc2C)C[C@H]1c1cnn(C)c1	ZINC001086986765	953007540	/nfs/dbraw/zinc/00/75/40/953007540.db2.gz	IDZYRVSKMBMPDC-ZWKOTPCHSA-N	1	0	368.485	1.909	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[N@H+](CCCOC(C)C)C[C@H]2O)cc1	ZINC001196725447	971887766	/nfs/dbraw/zinc/88/77/66/971887766.db2.gz	FLBLQKFOVFWGPF-RTBURBONSA-N	1	0	360.454	1.289	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@]23CCC[C@H]2OCC3)C[C@H]1c1cnn(C)c1	ZINC001086987441	953010095	/nfs/dbraw/zinc/01/00/95/953010095.db2.gz	SLILMAZYZFIHIU-XFKSJGNHSA-N	1	0	358.486	1.839	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2nc3c(s2)CCC3)C[C@H]1c1cnn(C)c1	ZINC001086987798	953011265	/nfs/dbraw/zinc/01/12/65/953011265.db2.gz	NVFNUPAYWRXKLO-DZGCQCFKSA-N	1	0	357.483	1.749	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc3c2O[C@@H](C)C3)C[C@H]1c1cnn(C)c1	ZINC001086988011	953011558	/nfs/dbraw/zinc/01/15/58/953011558.db2.gz	ZFYZZPUZZMLSMX-ZOCIIQOWSA-N	1	0	364.449	1.575	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc3ncccc3o2)C[C@H]1c1cnn(C)c1	ZINC001086988383	953012213	/nfs/dbraw/zinc/01/22/13/953012213.db2.gz	UELGXAGTEAURCR-GOEBONIOSA-N	1	0	351.410	1.945	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)nc2C)C[C@H]1c1cnn(C)c1	ZINC001086988618	953012669	/nfs/dbraw/zinc/01/26/69/953012669.db2.gz	HZRDMDPTSFQCQZ-ZWKOTPCHSA-N	1	0	351.454	1.571	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccnn2[C@@H](C)CC)C[C@H]1c1cnn(C)c1	ZINC001086981474	953032904	/nfs/dbraw/zinc/03/29/04/953032904.db2.gz	LGZHPFNUIFUCNG-BHYGNILZSA-N	1	0	356.474	1.971	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C(F)F)n[nH]2)C[C@H]1c1cnn(C)c1	ZINC001086996246	953036173	/nfs/dbraw/zinc/03/61/73/953036173.db2.gz	VLMHTGIVVSLRRC-SMDDNHRTSA-N	1	0	350.373	1.465	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]C[C@H]3CCOC3)C2)C1	ZINC001086996294	953036883	/nfs/dbraw/zinc/03/68/83/953036883.db2.gz	XTYIJKPQYPLCDT-BPQIPLTHSA-N	1	0	358.486	1.697	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C[C@H]1c1cnn(C)c1	ZINC001086998391	953042208	/nfs/dbraw/zinc/04/22/08/953042208.db2.gz	IKSXNKQLQCKGJZ-XWTMOSNGSA-N	1	0	354.458	1.027	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2sc(C)cc2OC)C[C@H]1c1cnn(C)c1	ZINC001087000933	953053248	/nfs/dbraw/zinc/05/32/48/953053248.db2.gz	VTHISCJGUBLIHG-LSDHHAIUSA-N	1	0	358.467	1.630	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3[nH]c(C)nc3c2)C[C@H]1c1cnn(C)c1	ZINC001087003417	953059540	/nfs/dbraw/zinc/05/95/40/953059540.db2.gz	XFRIKVGHLYVINT-QFBILLFUSA-N	1	0	364.453	1.989	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001087020122	953082014	/nfs/dbraw/zinc/08/20/14/953082014.db2.gz	CVEBWEYCUNHFIS-CXAGYDPISA-N	1	0	371.466	1.677	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)OCCO3)C[C@H]1c1cnn(C)c1	ZINC001087008947	953096991	/nfs/dbraw/zinc/09/69/91/953096991.db2.gz	GQBKWJALDNPSSX-DLBZAZTESA-N	1	0	366.421	1.022	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)N(C)C)C[C@H]1c1cnn(C)c1	ZINC001087011101	953102948	/nfs/dbraw/zinc/10/29/48/953102948.db2.gz	FRUYNASLEXGZMM-ZCNNSNEGSA-N	1	0	367.497	1.793	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COC2CCC(C)CC2)C[C@H]1c1cnn(C)c1	ZINC001087011913	953105112	/nfs/dbraw/zinc/10/51/12/953105112.db2.gz	XAKGGLGNWNXIBO-SOTJZCEJSA-N	1	0	358.486	1.533	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COc3ccccc32)C[C@H]1c1cnn(C)c1	ZINC001087012290	953106206	/nfs/dbraw/zinc/10/62/06/953106206.db2.gz	OXQDXWZBZRQWQV-RCCFBDPRSA-N	1	0	352.438	1.666	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001087030034	953123617	/nfs/dbraw/zinc/12/36/17/953123617.db2.gz	UCROFAOKICWNPS-CZUORRHYSA-N	1	0	359.455	1.610	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001087030349	953124019	/nfs/dbraw/zinc/12/40/19/953124019.db2.gz	IHFKGLKGFSIGSE-SJLPKXTDSA-N	1	0	371.416	1.687	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001087033314	953134735	/nfs/dbraw/zinc/13/47/35/953134735.db2.gz	OHFPOBSIHRNFFN-CKEIUWERSA-N	1	0	363.483	1.609	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](CC)OC)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087034056	953137026	/nfs/dbraw/zinc/13/70/26/953137026.db2.gz	NVOVMRNHYXBXLW-GUDVDZBRSA-N	1	0	359.470	1.936	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1ncccc1C	ZINC001087045455	953170536	/nfs/dbraw/zinc/17/05/36/953170536.db2.gz	JNZQTVDJGNDMQR-DNVCBOLYSA-N	1	0	367.453	1.857	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+][C@H](C)c1nnc(CC)o1	ZINC001087052734	953183835	/nfs/dbraw/zinc/18/38/35/953183835.db2.gz	JLVPIBZFTKGVOV-FVQBIDKESA-N	1	0	360.458	1.560	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1ccc(C(N)=O)cc1	ZINC001087052884	953184257	/nfs/dbraw/zinc/18/42/57/953184257.db2.gz	PIBXIYGHZRIEKY-RTBURBONSA-N	1	0	369.465	1.152	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087055931	953189501	/nfs/dbraw/zinc/18/95/01/953189501.db2.gz	KWQTYRCCICCCHD-HDAAZOAOSA-N	1	0	369.465	1.548	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1ocnc1C	ZINC001087047130	953195881	/nfs/dbraw/zinc/19/58/81/953195881.db2.gz	UOEZICFQRJVLDL-RHSMWYFYSA-N	1	0	357.414	1.450	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cn(C)nn3)[C@H](OCC)C2)cc1	ZINC001087071255	953225606	/nfs/dbraw/zinc/22/56/06/953225606.db2.gz	GAMSOWXBGAWZAR-IEBWSBKVSA-N	1	0	367.453	1.063	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cnn(C)n3)[C@H](OCC)C2)cc1	ZINC001087071462	953226072	/nfs/dbraw/zinc/22/60/72/953226072.db2.gz	RDEWVTGXAOGEKN-IEBWSBKVSA-N	1	0	367.453	1.063	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]C[C@@H]3CCCCO3)[C@H](OCC)C2)c1	ZINC001087082520	953241204	/nfs/dbraw/zinc/24/12/04/953241204.db2.gz	PDECFSLUSLUNFL-HSALFYBXSA-N	1	0	371.481	1.699	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nccc(C)n2)[C@H](OCC)C1	ZINC001087085656	953247112	/nfs/dbraw/zinc/24/71/12/953247112.db2.gz	PWLPKADJLYNWFD-ZJPYXAASSA-N	1	0	374.485	1.329	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2C2CCOCC2)C1	ZINC001196791088	971916326	/nfs/dbraw/zinc/91/63/26/971916326.db2.gz	YGHRXTKCLYIYED-YXJHDRRASA-N	1	0	362.474	1.364	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](C[NH2+]Cc2cnn(CC)n2)[C@H](OCC)C1	ZINC001087079665	953264553	/nfs/dbraw/zinc/26/45/53/953264553.db2.gz	BFKSEYRBHIJLSB-SZVBFZGTSA-N	1	0	363.506	1.853	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC3CCOCC3)[C@H](OCC)C2)cn1	ZINC001087097581	953285106	/nfs/dbraw/zinc/28/51/06/953285106.db2.gz	YENRPXURGJPPRR-UYAOXDASSA-N	1	0	371.481	1.556	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CCN1c1cncc(C#N)n1	ZINC001091788580	953308519	/nfs/dbraw/zinc/30/85/19/953308519.db2.gz	SJGWYRCIENQGKQ-DLBZAZTESA-N	1	0	356.474	1.698	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H]2CN(C(=O)c3cnc4ccc(OC)nn43)C[C@]2(C)C1	ZINC001091797817	953324724	/nfs/dbraw/zinc/32/47/24/953324724.db2.gz	UWKZQZSTANFQOM-KUHUBIRLSA-N	1	0	353.426	1.155	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCN1c1nc(C)cc(C#N)n1	ZINC001091807590	953338924	/nfs/dbraw/zinc/33/89/24/953338924.db2.gz	AHUYTMUCBRVHMJ-JKSUJKDBSA-N	1	0	356.474	1.615	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4c[nH]nc4CC)C[C@]3(C)C2)C1=O	ZINC001091812023	953346253	/nfs/dbraw/zinc/34/62/53/953346253.db2.gz	QRJTUZMMDWNVBY-ZTQAJYAQSA-N	1	0	371.485	1.153	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@H]3CCS(=O)(=O)C3)C[C@]2(C)C1	ZINC001091831016	953370235	/nfs/dbraw/zinc/37/02/35/953370235.db2.gz	DNERHIWFKWWYGX-NUJGCVRESA-N	1	0	354.516	1.558	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3COCCN3CC3CCC3)C[C@]2(C)C1	ZINC001091883505	953518973	/nfs/dbraw/zinc/51/89/73/953518973.db2.gz	MEBLMDYMWXDJLR-DYXWJJEUSA-N	1	0	361.530	1.844	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[C@H](OC)CN3C(C)=O)C[C@]2(C)C1	ZINC001091886691	953527950	/nfs/dbraw/zinc/52/79/50/953527950.db2.gz	VLFKBMRZQMQMMO-RMJJICAUSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CN3CCCCS3(=O)=O)C[C@]2(C)C1	ZINC001091856215	953561268	/nfs/dbraw/zinc/56/12/68/953561268.db2.gz	LEZMSEXWCZTHGW-AEFFLSMTSA-N	1	0	369.531	1.159	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1C[C@H]2CCN(c3ccnc(C#N)n3)C[C@H]2C1	ZINC001091859924	953582600	/nfs/dbraw/zinc/58/26/00/953582600.db2.gz	YCVOVLSMOXDRSS-CVEARBPZSA-N	1	0	356.474	1.365	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cnn4c3nc(C)cc4C)C[C@]2(C)C1	ZINC001091903612	953667258	/nfs/dbraw/zinc/66/72/58/953667258.db2.gz	OYKTUSHFJICAFJ-UZLBHIALSA-N	1	0	351.454	1.763	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3C[N@@H+]([C@@H](C)C(=O)NC4CC4)C[C@@]3(C)C2)c1	ZINC001091998009	953917978	/nfs/dbraw/zinc/91/79/78/953917978.db2.gz	SCSZPURLRLGSNZ-OXTHUFEASA-N	1	0	366.465	1.124	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)[C@@H]1C)[NH+]1CCCC1	ZINC001091979971	953978399	/nfs/dbraw/zinc/97/83/99/953978399.db2.gz	ZNXJJEORAOVNDV-HFTRVMKXSA-N	1	0	356.474	1.552	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)C2CCCCC2)C1	ZINC001196899465	971980701	/nfs/dbraw/zinc/98/07/01/971980701.db2.gz	YQQRNUGZXIOMKP-IAGOWNOFSA-N	1	0	351.491	1.201	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCCc3nc(C)no3)C[C@@]2(C)C1	ZINC001092030319	954130320	/nfs/dbraw/zinc/13/03/20/954130320.db2.gz	XFSOZDBKFGQVAV-WWNBULGVSA-N	1	0	374.485	1.682	20	30		FDEDRO
C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCC[C@H](C)C3)C[C@]2(C)C1	ZINC001092075258	954217613	/nfs/dbraw/zinc/21/76/13/954217613.db2.gz	LWYSUMBJPYQWFI-JOQOYGCGSA-N	1	0	353.894	1.778	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3C[N@H+](C[C@H]4CCCOC4)C[C@@]3(C)C2)nn1	ZINC001092082432	954229509	/nfs/dbraw/zinc/22/95/09/954229509.db2.gz	ZBXHKPSGMBUOFB-MDZRGWNJSA-N	1	0	359.474	1.285	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4c(C)n[nH]c4C)C[C@]3(C)C2)C1=O	ZINC001092104514	954328230	/nfs/dbraw/zinc/32/82/30/954328230.db2.gz	MCCLFFKAQNLINX-GUXCAODWSA-N	1	0	371.485	1.207	20	30		FDEDRO
C[C@]12CN(C(=O)Cc3ncc[nH]3)C[C@H]1C[N@H+](Cc1cc(C#N)ccc1F)C2	ZINC001092138183	954443210	/nfs/dbraw/zinc/44/32/10/954443210.db2.gz	VOUJOEYCPWOTMO-UZLBHIALSA-N	1	0	367.428	1.943	20	30		FDEDRO
C[C@]12CN(C(=O)Cc3nnc[nH]3)C[C@H]1C[N@H+](Cc1cc(C#N)ccc1F)C2	ZINC001092185411	954483027	/nfs/dbraw/zinc/48/30/27/954483027.db2.gz	HIYSQULQPNTYCN-BEFAXECRSA-N	1	0	368.416	1.338	20	30		FDEDRO
C[C@]12CN(C(=O)Cc3nnc[nH]3)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001092185482	954484529	/nfs/dbraw/zinc/48/45/29/954484529.db2.gz	JKUSCCAQBMPGOY-APWZRJJASA-N	1	0	350.426	1.199	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)CCc3ccccc3C(N)=O)C[C@]2(C)C1	ZINC001092199785	954517862	/nfs/dbraw/zinc/51/78/62/954517862.db2.gz	PGTJITZXIKBUGK-UTKZUKDTSA-N	1	0	353.466	1.522	20	30		FDEDRO
C[C@]12CN(C(=O)Cn3cncn3)C[C@H]1C[N@H+](Cc1ccc(F)c(C#N)c1)C2	ZINC001092255964	954717359	/nfs/dbraw/zinc/71/73/59/954717359.db2.gz	DBAHTLFKUNNNMH-APWZRJJASA-N	1	0	368.416	1.269	20	30		FDEDRO
C[NH+](C)CCC(=O)N1C[C@H]2CN(c3ncc(C#N)cc3Cl)C[C@@]2(C)C1	ZINC001092305097	954767971	/nfs/dbraw/zinc/76/79/71/954767971.db2.gz	AKAZFMFGJNZQAK-KBXCAEBGSA-N	1	0	361.877	1.843	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)N3CCOCC3)C[C@]2(C)C1	ZINC001092291765	954889124	/nfs/dbraw/zinc/88/91/24/954889124.db2.gz	JSZKOZNUWIYVLX-DYXWJJEUSA-N	1	0	361.530	1.844	20	30		FDEDRO
C=C[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@]2(C)C1)c1ccccc1	ZINC001092294516	954903076	/nfs/dbraw/zinc/90/30/76/954903076.db2.gz	VNIGCETVUKCXBR-OPYAIIAOSA-N	1	0	355.482	1.825	20	30		FDEDRO
CC[NH+](CC)CC(=O)N[C@@H]1CN(CC#Cc2cccc(Cl)c2)C[C@H]1O	ZINC001197058086	972057439	/nfs/dbraw/zinc/05/74/39/972057439.db2.gz	NOURFNUKSMHEGH-QZTJIDSGSA-N	1	0	363.889	1.195	20	30		FDEDRO
C=C(Cl)CN1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1nccn12	ZINC001092369568	955037785	/nfs/dbraw/zinc/03/77/85/955037785.db2.gz	FEDJBOAVVUCZAL-KFWWJZLASA-N	1	0	363.893	1.548	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1	ZINC001092423989	955061504	/nfs/dbraw/zinc/06/15/04/955061504.db2.gz	ZWHLHBVPWISRBZ-IDHHARJASA-N	1	0	368.485	1.411	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)C1=COCCO1	ZINC001092436985	955094859	/nfs/dbraw/zinc/09/48/59/955094859.db2.gz	UHESFXWZOOTAMU-CZUORRHYSA-N	1	0	359.401	1.770	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)[C@H]1COCCO1	ZINC001092470149	955206146	/nfs/dbraw/zinc/20/61/46/955206146.db2.gz	YAEZXAIWTSZPHE-MZMPZRCHSA-N	1	0	361.417	1.297	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H](CNC(=O)c3cn[nH]c3)[C@H](C)C2)cc1C#N	ZINC001092479217	955228999	/nfs/dbraw/zinc/22/89/99/955228999.db2.gz	OWDOVZNVNAYIIB-CXAGYDPISA-N	1	0	353.426	1.788	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)[C@H]1CCC(=O)N1	ZINC001092508099	955285598	/nfs/dbraw/zinc/28/55/98/955285598.db2.gz	TVMURLPVTRJIPS-SRCQZFHVSA-N	1	0	358.417	1.160	20	30		FDEDRO
Cc1nc(N2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3CC[N@H+](C)C3)C2)ccc1C#N	ZINC001092519858	955308808	/nfs/dbraw/zinc/30/88/08/955308808.db2.gz	LHOQXLQKMGVNSZ-ZTFGCOKTSA-N	1	0	355.486	1.792	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H](C)[C@H](CCNC(=O)[C@H]3CC[N@H+](C)C3)C2)n1	ZINC001092520301	955309265	/nfs/dbraw/zinc/30/92/65/955309265.db2.gz	WQHLQCSHECLMSJ-OAGGEKHMSA-N	1	0	370.501	1.441	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC[C@@H]2CN(c3ccc(C)nn3)C[C@H]2C)CC1	ZINC001092523158	955319619	/nfs/dbraw/zinc/31/96/19/955319619.db2.gz	AHFMPNZALZQVLE-VQIMIIECSA-N	1	0	369.513	1.709	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CCNC(=O)CC[NH+]1CCCCC1	ZINC001092523260	955319893	/nfs/dbraw/zinc/31/98/93/955319893.db2.gz	FIVGVNMWAROSAZ-IAGOWNOFSA-N	1	0	370.501	1.803	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC[C@@H]2CN(c3cc(C)ncn3)C[C@H]2C)CC1	ZINC001092523484	955320282	/nfs/dbraw/zinc/32/02/82/955320282.db2.gz	LOJAKAHGFUEKGS-VQIMIIECSA-N	1	0	369.513	1.709	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)N2CCCC[C@H]2C)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC001092552401	955410337	/nfs/dbraw/zinc/41/03/37/955410337.db2.gz	WSMIRQBRCDSIRD-BFYDXBDKSA-N	1	0	371.485	1.585	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC001092553355	955416244	/nfs/dbraw/zinc/41/62/44/955416244.db2.gz	WPWNOPBMMWGKBQ-LSBZLQRGSA-N	1	0	352.438	1.918	20	30		FDEDRO
Cc1noc(CCC[N@@H+]2C[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)n1	ZINC001092553275	955416750	/nfs/dbraw/zinc/41/67/50/955416750.db2.gz	MLRXWXOGANEZOY-IUODEOHRSA-N	1	0	356.430	1.508	20	30		FDEDRO
Cc1nc(C)n(CC[N@@H+]2C[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)n1	ZINC001092553316	955416767	/nfs/dbraw/zinc/41/67/67/955416767.db2.gz	QYWLWMVMGMAJSP-MLGOLLRUSA-N	1	0	355.446	1.093	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC001092553350	955416969	/nfs/dbraw/zinc/41/69/69/955416969.db2.gz	VZSYCMYPJYSZHW-XFQXTVEOSA-N	1	0	366.465	1.788	20	30		FDEDRO
C[C@@H]1CN(c2ccncc2C#N)C[C@H]1CCNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001092531229	955489537	/nfs/dbraw/zinc/48/95/37/955489537.db2.gz	BADYBJXHSQTHFX-IXDOHACOSA-N	1	0	355.486	1.874	20	30		FDEDRO
COc1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)ncn1	ZINC001092610287	955666073	/nfs/dbraw/zinc/66/60/73/955666073.db2.gz	RILSLFAQPCGLSR-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)NCC[C@@H]2CN(c3ccncc3C#N)C[C@H]2C)C1	ZINC001092584159	955731285	/nfs/dbraw/zinc/73/12/85/955731285.db2.gz	JRNLWETVBNLBSD-BRWVUGGUSA-N	1	0	355.486	1.874	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1C[C@@H](C)CC(=O)N1	ZINC001092614839	955821142	/nfs/dbraw/zinc/82/11/42/955821142.db2.gz	XYRFZXBVYJBJIX-HNBVOPMISA-N	1	0	367.493	1.637	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CCNc2nc(C)cc(C#N)n2)C1	ZINC001092619665	955846686	/nfs/dbraw/zinc/84/66/86/955846686.db2.gz	NKQJYCSPTXTGQP-GDBMZVCRSA-N	1	0	358.490	1.895	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)[C@H](C)C1	ZINC001092654180	955904471	/nfs/dbraw/zinc/90/44/71/955904471.db2.gz	LQZQEMHDYSLULG-BRWVUGGUSA-N	1	0	351.491	1.132	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](CNc2ccc(C#N)nn2)[C@H](C)C1	ZINC001092662008	955938264	/nfs/dbraw/zinc/93/82/64/955938264.db2.gz	INAWVJLYYSOEBM-IIAWOOMASA-N	1	0	362.453	1.535	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@H]1CCCNC1=O	ZINC001092699647	956083479	/nfs/dbraw/zinc/08/34/79/956083479.db2.gz	OAPXWRGPGGSPQA-OLMNPRSZSA-N	1	0	354.454	1.269	20	30		FDEDRO
C[NH+](C)[C@H](C(=O)NC[C@]12CCC[C@H]1N(c1ccnc(C#N)n1)CC2)C1CC1	ZINC001092705062	956116198	/nfs/dbraw/zinc/11/61/98/956116198.db2.gz	TUHRDDNPPYSSHV-MOXGXCLJSA-N	1	0	368.485	1.554	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@]12CCC[C@H]1N(c1cncc(C#N)n1)CC2	ZINC001092712878	956150904	/nfs/dbraw/zinc/15/09/04/956150904.db2.gz	OGZFCUHIDULMDC-WRWLIDTKSA-N	1	0	368.485	1.698	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cc(C)n(C)n2)C[C@H]1C	ZINC001092689899	956197952	/nfs/dbraw/zinc/19/79/52/956197952.db2.gz	QUYPZLVIAYESGG-SUMDDJOVSA-N	1	0	357.502	1.010	20	30		FDEDRO
C=CCOc1ccccc1C(=O)NC[C@@H]1C[N@H+]([C@@H](CC)C(N)=O)C[C@H]1C	ZINC001092740484	956236965	/nfs/dbraw/zinc/23/69/65/956236965.db2.gz	OFGPIBCJLLLKQD-INMHGKMJSA-N	1	0	359.470	1.813	20	30		FDEDRO
C=CCOc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2C)cc1	ZINC001092740779	956238571	/nfs/dbraw/zinc/23/85/71/956238571.db2.gz	SEMNCSRQWDPLSR-NVXWUHKLSA-N	1	0	371.481	1.828	20	30		FDEDRO
COc1cc(C(=O)NC[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)nn1C	ZINC001092809812	956384447	/nfs/dbraw/zinc/38/44/47/956384447.db2.gz	FPEIWZMZOKLYGV-RHSMWYFYSA-N	1	0	367.453	1.798	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)c1ccc(=O)n(C)c1	ZINC001092768915	956390057	/nfs/dbraw/zinc/39/00/57/956390057.db2.gz	SXXRATBTWOXFQT-DNVCBOLYSA-N	1	0	364.449	1.755	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1)[NH+]1CCCC1	ZINC001092849465	956494224	/nfs/dbraw/zinc/49/42/24/956494224.db2.gz	HQONVCUHPAJKAU-VUHPKUFZSA-N	1	0	368.485	1.695	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H](CNC(=O)c3[nH]nnc3C)[C@H](C)C2)cc1C#N	ZINC001092873399	956607961	/nfs/dbraw/zinc/60/79/61/956607961.db2.gz	PHLPUIRSWCDWHF-MLGOLLRUSA-N	1	0	368.441	1.491	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@H]2C)cc1	ZINC001092875032	956618157	/nfs/dbraw/zinc/61/81/57/956618157.db2.gz	LUSIQEGVXPHMTP-ATZDWAIDSA-N	1	0	353.466	1.586	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2cncc(-n3ccnn3)c2)[C@H](C)C1	ZINC001092852499	956684804	/nfs/dbraw/zinc/68/48/04/956684804.db2.gz	MKSRYUOAAJCWTD-IUODEOHRSA-N	1	0	360.849	1.713	20	30		FDEDRO
Cc1nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)ccc1C#N	ZINC001092859181	956714733	/nfs/dbraw/zinc/71/47/33/956714733.db2.gz	DROQVXRQSCBSGH-IKGGRYGDSA-N	1	0	357.458	1.066	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@H]1CCC(=O)N1C	ZINC001092907366	956740426	/nfs/dbraw/zinc/74/04/26/956740426.db2.gz	JPKUPGPYZFKCLF-ZTFGCOKTSA-N	1	0	354.454	1.363	20	30		FDEDRO
CCc1nc(C#N)cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C3)n1	ZINC001092908718	956744425	/nfs/dbraw/zinc/74/44/25/956744425.db2.gz	WVKCNAKRUNVXAR-PMPSAXMXSA-N	1	0	368.485	1.478	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)c1c[nH]c(=O)cn1	ZINC001092920786	956789504	/nfs/dbraw/zinc/78/95/04/956789504.db2.gz	DTFWDBFDNVZAGX-IUODEOHRSA-N	1	0	369.400	1.279	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@@H+](CCOCCOC)CC1	ZINC001197396809	972220583	/nfs/dbraw/zinc/22/05/83/972220583.db2.gz	PGNBJYAUFZGRDC-ROUUACIJSA-N	1	0	354.491	1.555	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]2C)c1	ZINC001092950889	956880718	/nfs/dbraw/zinc/88/07/18/956880718.db2.gz	DUVGQOJMTRZXIQ-DNVCBOLYSA-N	1	0	364.449	1.260	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)c1cn(C)c(=O)[nH]1	ZINC001092936310	956956482	/nfs/dbraw/zinc/95/64/82/956956482.db2.gz	ARUIJKZAESIRTL-GDBMZVCRSA-N	1	0	370.428	1.614	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccnc(OC)c2)C[C@H]1C	ZINC001092978071	956975698	/nfs/dbraw/zinc/97/56/98/956975698.db2.gz	XWUJKWXDWXWBEU-DDBAPUKQSA-N	1	0	359.470	1.865	20	30		FDEDRO
CCc1nc(C#N)cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C3)n1	ZINC001093022740	957159017	/nfs/dbraw/zinc/15/90/17/957159017.db2.gz	BMGYVQDRHUOWRO-JEWRLFTDSA-N	1	0	368.485	1.477	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccn(C)n3)C[C@H]2C)cc1	ZINC001093031723	957243567	/nfs/dbraw/zinc/24/35/67/957243567.db2.gz	IXNYXUHIOZHYKI-SJLPKXTDSA-N	1	0	366.465	1.930	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@H](CC)C(N)=O)C[C@H]2C)cc1	ZINC001093032087	957246597	/nfs/dbraw/zinc/24/65/97/957246597.db2.gz	WHVGSLMNMOJGIE-QGPMSJSTSA-N	1	0	357.454	1.260	20	30		FDEDRO
Cc1cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(C[NH+](C)C)CC2)C3)c(C#N)cn1	ZINC001093037232	957258278	/nfs/dbraw/zinc/25/82/78/957258278.db2.gz	DFRICLFJEYTXRY-ZACQAIPSSA-N	1	0	353.470	1.829	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3cnc(C)nc3C)[C@H](C)C2)C1=O	ZINC001093061699	957294354	/nfs/dbraw/zinc/29/43/54/957294354.db2.gz	BMNQEWHORMYACC-QBIMZIAESA-N	1	0	371.485	1.178	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@]12CCC[C@H]1CN(c1ccnc(C#N)n1)C2	ZINC001093108808	957443068	/nfs/dbraw/zinc/44/30/68/957443068.db2.gz	ZSKGEYJXGXEZRC-YRNRMSPPSA-N	1	0	368.485	1.698	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(c1nc(C)cc(C#N)n1)C2	ZINC001093091763	957537848	/nfs/dbraw/zinc/53/78/48/957537848.db2.gz	NIVQBLRHCYFXPE-JXFKEZNVSA-N	1	0	370.501	1.864	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2ccc(C#N)nn2)C1	ZINC001093114161	957552663	/nfs/dbraw/zinc/55/26/63/957552663.db2.gz	NUQMJFLXFFFASA-CHWSQXEVSA-N	1	0	370.379	1.491	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1C[C@@H]2CCC[C@]2(CNc2nccnc2C#N)C1	ZINC001093123884	957586349	/nfs/dbraw/zinc/58/63/49/957586349.db2.gz	FQVIEZOOYOPXIJ-KXBFYZLASA-N	1	0	356.474	1.731	20	30		FDEDRO
COC(=O)n1ncc(C#N)c1NC(=O)c1cc(C)n(-c2cc[nH+]cc2)n1	ZINC001197545966	972296117	/nfs/dbraw/zinc/29/61/17/972296117.db2.gz	XOZAANDFJSCRQY-UHFFFAOYSA-N	1	0	351.326	1.511	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(Cc3ncc(C)o3)C[C@H]2C)CC1	ZINC001093223403	957851609	/nfs/dbraw/zinc/85/16/09/957851609.db2.gz	YDLDRPZOHYXITL-CRAIPNDOSA-N	1	0	358.486	1.512	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCc1cccnc1	ZINC001110493587	972303736	/nfs/dbraw/zinc/30/37/36/972303736.db2.gz	WYCPJLZEGYDCPQ-KURKYZTESA-N	1	0	354.454	1.223	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)/C=C\c3ccc[nH]3)C[C@H]2C)C1=O	ZINC001093274051	957944132	/nfs/dbraw/zinc/94/41/32/957944132.db2.gz	KMQVANWBRQVJQE-DHVGWTCFSA-N	1	0	370.497	1.889	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3cc(C)ncn3)C[C@H]2C)C1=O	ZINC001093275318	957945718	/nfs/dbraw/zinc/94/57/18/957945718.db2.gz	YFMGQPVOBGOTKB-DJIMGWMZSA-N	1	0	371.485	1.260	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CC[NH2+][C@@H]1CCN(C(C)(C)C)C1=O	ZINC001093278219	957948976	/nfs/dbraw/zinc/94/89/76/957948976.db2.gz	QNFQXZAUOCHGOT-KBAYOESNSA-N	1	0	359.514	1.873	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCCNC2=O)C1	ZINC001093287813	957976147	/nfs/dbraw/zinc/97/61/47/957976147.db2.gz	IPCNNJRTHQPBBU-NSISKUIASA-N	1	0	367.493	1.563	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCC2(Nc3ccnc(C#N)n3)CCCCC2)CC[N@@H+]1C	ZINC001093412274	958028520	/nfs/dbraw/zinc/02/85/20/958028520.db2.gz	RVLTZDSFOQPIFR-HUUCEWRRSA-N	1	0	356.474	1.919	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccon3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093433325	958059867	/nfs/dbraw/zinc/05/98/67/958059867.db2.gz	CDDIOTOVYUBNID-AHCXZYCDSA-N	1	0	367.877	1.936	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccnn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093443825	958086238	/nfs/dbraw/zinc/08/62/38/958086238.db2.gz	UWUXRAFPUJOJGE-HNBVOPMISA-N	1	0	360.502	1.505	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3ccncn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093445041	958090733	/nfs/dbraw/zinc/09/07/33/958090733.db2.gz	AOKLEPWWHGQEDG-LFGUQSLTSA-N	1	0	358.486	1.561	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(C4CCC4)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093446068	958093033	/nfs/dbraw/zinc/09/30/33/958093033.db2.gz	FJQUVHHLFGYFOX-BNDYYXHWSA-N	1	0	370.497	1.821	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn4c(n3)CCCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093446622	958094998	/nfs/dbraw/zinc/09/49/98/958094998.db2.gz	JCOFSSMESBSKJH-DOSUHQCWSA-N	1	0	370.497	1.432	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnnn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093447184	958099140	/nfs/dbraw/zinc/09/91/40/958099140.db2.gz	SBYDDLTYVWMLDV-MMTVNHQJSA-N	1	0	367.881	1.147	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnc4[nH]cnc43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093448165	958106231	/nfs/dbraw/zinc/10/62/31/958106231.db2.gz	FLJRERGZVPXFNK-MXHNKVEKSA-N	1	0	369.469	1.724	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncc(COC)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093449359	958114980	/nfs/dbraw/zinc/11/49/80/958114980.db2.gz	GAPIOILPMYXWAI-BNDYYXHWSA-N	1	0	371.481	1.441	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@@H]1C(C)C	ZINC001093449527	958116010	/nfs/dbraw/zinc/11/60/10/958116010.db2.gz	PHWVYCSOOLVKES-ZXFNITATSA-N	1	0	358.910	1.724	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncc(F)cc3F)[C@H]2C(C)C)C[C@H]1O	ZINC001093451080	958129412	/nfs/dbraw/zinc/12/94/12/958129412.db2.gz	QSXJXXBRTRFVMI-IIHSZXCVSA-N	1	0	363.408	1.573	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3[nH]c(=O)[nH]c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093451849	958135647	/nfs/dbraw/zinc/13/56/47/958135647.db2.gz	ZGEHENQPGUTBTD-ZLHSVIROSA-N	1	0	362.474	1.580	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)nc[nH]c3=O)[C@H]2C(C)C)C[C@H]1O	ZINC001093460734	958190944	/nfs/dbraw/zinc/19/09/44/958190944.db2.gz	XCWKGLGGSMPIKD-GTACMHHNSA-N	1	0	360.458	1.256	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3cncs3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093464695	958200844	/nfs/dbraw/zinc/20/08/44/958200844.db2.gz	GLBDHNDIBPROIY-PSBWJHGTSA-N	1	0	361.511	1.675	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc4c3OCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093465530	958203841	/nfs/dbraw/zinc/20/38/41/958203841.db2.gz	KBSXFNOVMKRSEA-VFSLUADLSA-N	1	0	368.477	1.834	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc(OC)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093470980	958231579	/nfs/dbraw/zinc/23/15/79/958231579.db2.gz	AYJJVAHVXZZOOR-BNDYYXHWSA-N	1	0	356.466	1.908	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc(OC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093471122	958232924	/nfs/dbraw/zinc/23/29/24/958232924.db2.gz	CCGGJQVQIHELJH-QQTQMKHKSA-N	1	0	357.454	1.303	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH]c4cccnc34)[C@H]2C(C)C)C[C@H]1O	ZINC001093471733	958235357	/nfs/dbraw/zinc/23/53/57/958235357.db2.gz	GLMVNCDQYAHGKK-REHHDOPLSA-N	1	0	366.465	1.776	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(OC)cc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093471987	958236519	/nfs/dbraw/zinc/23/65/19/958236519.db2.gz	HKJPNNQSKCQHIF-BNDYYXHWSA-N	1	0	356.466	1.908	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncccc3OC)[C@H]2C(C)C)C[C@H]1O	ZINC001093474590	958248261	/nfs/dbraw/zinc/24/82/61/958248261.db2.gz	SLJAJRMZNRNCAA-OHRYMORCSA-N	1	0	359.470	1.856	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncnc4[nH]ccc43)[C@H]2C(C)C)C[C@H]1O	ZINC001093453936	958264005	/nfs/dbraw/zinc/26/40/05/958264005.db2.gz	YGESOJOALIBBKQ-RNKNFESXSA-N	1	0	369.469	1.675	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(CC)[nH]c(=O)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093456621	958277429	/nfs/dbraw/zinc/27/74/29/958277429.db2.gz	GIMBEIKXCIMERR-PLOVASNDSA-N	1	0	371.481	1.563	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nc(C)c(C)nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093456541	958277504	/nfs/dbraw/zinc/27/75/04/958277504.db2.gz	FODPISVZVWSCTQ-VGUOSERISA-N	1	0	370.497	1.615	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc4[nH]ccc4n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093456888	958278650	/nfs/dbraw/zinc/27/86/50/958278650.db2.gz	HCOQICUJWAPXHL-ANTGDGSKSA-N	1	0	366.465	1.776	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccn4ccnc4c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093457717	958281117	/nfs/dbraw/zinc/28/11/17/958281117.db2.gz	KZUVHJWBGQPSOE-REHHDOPLSA-N	1	0	366.465	1.547	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncnc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093480841	958305233	/nfs/dbraw/zinc/30/52/33/958305233.db2.gz	PEGLPXBVAIAAFP-SOAMZJECSA-N	1	0	356.470	1.252	20	30		FDEDRO
C=C(C)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001093487580	958310296	/nfs/dbraw/zinc/31/02/96/958310296.db2.gz	IXIZGLUXPZAAKG-XMTFNYHQSA-N	1	0	362.474	1.367	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001093623271	958378630	/nfs/dbraw/zinc/37/86/30/958378630.db2.gz	SVUSUDNHCJYKDW-RDTXWAMCSA-N	1	0	368.412	1.829	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3ncoc3CC)C[C@H]2C)C1=O	ZINC001093685853	958501087	/nfs/dbraw/zinc/50/10/87/958501087.db2.gz	QVHZGBXFBUJNOK-RBSFLKMASA-N	1	0	360.458	1.322	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1ccc2nonc2c1	ZINC001093699730	958566875	/nfs/dbraw/zinc/56/68/75/958566875.db2.gz	JGXCUPLSFAOWTR-IUODEOHRSA-N	1	0	364.409	1.920	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001093715639	958583431	/nfs/dbraw/zinc/58/34/31/958583431.db2.gz	JXUGCPODEAXNNC-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1)n1cncn1	ZINC001093725217	958604336	/nfs/dbraw/zinc/60/43/36/958604336.db2.gz	CSTIFBBQSARERZ-IIDMSEBBSA-N	1	0	352.442	1.595	20	30		FDEDRO
CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)n1C	ZINC001093725720	958609072	/nfs/dbraw/zinc/60/90/72/958609072.db2.gz	BDLXFWZGMFYGGZ-TZMCWYRMSA-N	1	0	355.446	1.075	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093729670	958624098	/nfs/dbraw/zinc/62/40/98/958624098.db2.gz	HZFGPUNHCDQUDA-CZUORRHYSA-N	1	0	352.442	1.372	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cncnc2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001093739898	958656755	/nfs/dbraw/zinc/65/67/55/958656755.db2.gz	MEYQPKWBAUAKLM-RDTXWAMCSA-N	1	0	367.428	1.914	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H](C[NH2+]Cc3ccc(F)c(C#N)c3)[C@H](C)C2)o1	ZINC001093755088	958682722	/nfs/dbraw/zinc/68/27/22/958682722.db2.gz	SFKQJAWXLCVXOH-MLGOLLRUSA-N	1	0	371.416	1.816	20	30		FDEDRO
CCn1ncc(C(=O)N2C[C@@H](C[NH2+]Cc3ccccc3C#N)[C@H](C)C2)n1	ZINC001093756224	958687894	/nfs/dbraw/zinc/68/78/94/958687894.db2.gz	IZHSWMWHDVGWFF-RHSMWYFYSA-N	1	0	352.442	1.668	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3ccncc3C)C[C@H]2C)C1=O	ZINC001093759790	958697566	/nfs/dbraw/zinc/69/75/66/958697566.db2.gz	XXIHDVFRAMQONS-JFIYKMOQSA-N	1	0	356.470	1.475	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1cc(=O)n2ccsc2n1	ZINC001093762823	958703316	/nfs/dbraw/zinc/70/33/16/958703316.db2.gz	HNGCTQMULRZALX-UKRRQHHQSA-N	1	0	370.478	1.354	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001093764515	958706816	/nfs/dbraw/zinc/70/68/16/958706816.db2.gz	ABDQKFKKMNAFIQ-RHSMWYFYSA-N	1	0	369.444	1.858	20	30		FDEDRO
N#Cc1cccc(NC(=S)N2CCC([NH+]3CCC(C(N)=O)CC3)CC2)c1	ZINC001197703142	972372965	/nfs/dbraw/zinc/37/29/65/972372965.db2.gz	JRFLTMXIZFWILR-UHFFFAOYSA-N	1	0	371.510	1.917	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001093796642	958806459	/nfs/dbraw/zinc/80/64/59/958806459.db2.gz	ARJRAULLSLRSGT-CZUORRHYSA-N	1	0	356.405	1.173	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093819473	958883079	/nfs/dbraw/zinc/88/30/79/958883079.db2.gz	UBZBMZNPYUUTLA-IIDMSEBBSA-N	1	0	354.454	1.269	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+][C@@H]2CCN(CC=C)C2=O)[C@H](C)C1	ZINC001093824643	958903017	/nfs/dbraw/zinc/90/30/17/958903017.db2.gz	BACZUZMVAHIKGR-KZNAEPCWSA-N	1	0	370.497	1.759	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+][C@@H](C)c2nncn2C)[C@H](C)C1	ZINC001093824757	958903049	/nfs/dbraw/zinc/90/30/49/958903049.db2.gz	JPKHLWVLSBRJBW-OWCLPIDISA-N	1	0	356.474	1.862	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCc3ncnn32)[C@H](C)C1	ZINC001093824772	958903279	/nfs/dbraw/zinc/90/32/79/958903279.db2.gz	KTIIRIRGMFPQPU-ZACQAIPSSA-N	1	0	368.485	1.751	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2c(C)noc2C)[C@H](C)C1	ZINC001093830508	958919642	/nfs/dbraw/zinc/91/96/42/958919642.db2.gz	DPRSMVOTMNYWJT-BJZITVGISA-N	1	0	358.486	1.573	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnc(C)nc2)[C@H](C)C1	ZINC001093833014	958927237	/nfs/dbraw/zinc/92/72/37/958927237.db2.gz	MXFYRELXHUXGJN-LZQZEXGQSA-N	1	0	355.486	1.067	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093839510	958950154	/nfs/dbraw/zinc/95/01/54/958950154.db2.gz	QUTAQNSPPSHGOQ-OLMNPRSZSA-N	1	0	354.454	1.269	20	30		FDEDRO
C#C[C@H]([NH2+]CCC(=O)N1CCN(c2ccc(F)cc2)CC1)[C@H]1CCCO1	ZINC000775785566	972398514	/nfs/dbraw/zinc/39/85/14/972398514.db2.gz	PYPXYLZFLXFRCP-RBUKOAKNSA-N	1	0	359.445	1.635	20	30		FDEDRO
CNC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1	ZINC001110150886	959243142	/nfs/dbraw/zinc/24/31/42/959243142.db2.gz	MONMRODPMVRCOS-IKGGRYGDSA-N	1	0	369.469	1.487	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cncn2C)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001093894451	959250651	/nfs/dbraw/zinc/25/06/51/959250651.db2.gz	QKAKYISNCVUMDP-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cncn2C)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001093894535	959250822	/nfs/dbraw/zinc/25/08/22/959250822.db2.gz	WKQUULUJPZGOJQ-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093972403	959364772	/nfs/dbraw/zinc/36/47/72/959364772.db2.gz	QXTPLCNXPNGEJW-IOASZLSFSA-N	1	0	360.483	1.425	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001093975541	959521558	/nfs/dbraw/zinc/52/15/58/959521558.db2.gz	LNYHQNNJGNFHDZ-ZTTMTSROSA-N	1	0	369.465	1.665	20	30		FDEDRO
Cc1ccn(CC(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)cc3)[C@H](C)C2)n1	ZINC001094053356	959639413	/nfs/dbraw/zinc/63/94/13/959639413.db2.gz	RRVHDQYIGIDOFZ-DNVCBOLYSA-N	1	0	351.454	1.948	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cc(OC)ccn2)[C@H](C)C1	ZINC001094055591	959646627	/nfs/dbraw/zinc/64/66/27/959646627.db2.gz	YALCSPZAFREKIP-RGCFKVTRSA-N	1	0	359.470	1.865	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cc3n(n2)CCC3)[C@H](C)C1	ZINC001094056998	959651763	/nfs/dbraw/zinc/65/17/63/959651763.db2.gz	BJNBXJTWEBUIDI-RGCFKVTRSA-N	1	0	358.486	1.605	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cnn(C)n3)[C@H](C)C2)cc1	ZINC001094092821	959760630	/nfs/dbraw/zinc/76/06/30/959760630.db2.gz	BUPVZJRFIYPESX-NVXWUHKLSA-N	1	0	367.453	1.325	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nnc(C)o3)[C@H](C)C2)cc1	ZINC001094093085	959762235	/nfs/dbraw/zinc/76/22/35/959762235.db2.gz	IYRDLVCYWIFIPN-RHSMWYFYSA-N	1	0	368.437	1.888	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H]3CCCNC3=O)[C@H](C)C2)cc1	ZINC001094093750	959766140	/nfs/dbraw/zinc/76/61/40/959766140.db2.gz	CVKUDVDSXLXHNH-SUMDDJOVSA-N	1	0	369.465	1.275	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3nccc(C)n3)[C@H](C)C2)nn1	ZINC001094101430	959781238	/nfs/dbraw/zinc/78/12/38/959781238.db2.gz	SNZZDVYGHQYXNG-GDBMZVCRSA-N	1	0	369.473	1.451	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3cnoc3C)[C@H](C)C2)nn1	ZINC001094099758	959782006	/nfs/dbraw/zinc/78/20/06/959782006.db2.gz	LSEIRQRXABGVFG-CZUORRHYSA-N	1	0	358.446	1.649	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccnc(OC)n2)[C@H](C)C1	ZINC001094103730	959884962	/nfs/dbraw/zinc/88/49/62/959884962.db2.gz	ZOBHXPAUFUFDES-LMSBXDPUSA-N	1	0	374.485	1.651	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]C[C@H]3CCNC(=O)CC3)[C@H](C)C2)cn1	ZINC001094174265	959976218	/nfs/dbraw/zinc/97/62/18/959976218.db2.gz	BSPLSADUXYUHDE-JFIYKMOQSA-N	1	0	368.481	1.277	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(OC)nc3)[C@H](C)C2)cn1	ZINC001094174301	959977501	/nfs/dbraw/zinc/97/75/01/959977501.db2.gz	DUQSXFAVDFTSLF-CRAIPNDOSA-N	1	0	364.449	1.964	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+][C@H]2CCCNC2=O)[C@H](C)C1	ZINC001094188335	960068707	/nfs/dbraw/zinc/06/87/07/960068707.db2.gz	PCAAISLBNDTKQH-LZQZEXGQSA-N	1	0	353.466	1.173	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCC(=O)N2C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001094195970	960093668	/nfs/dbraw/zinc/09/36/68/960093668.db2.gz	OXZQZSKWQUDPLW-LZQZEXGQSA-N	1	0	368.481	1.753	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCN2CCCC2=O)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001094229204	960124564	/nfs/dbraw/zinc/12/45/64/960124564.db2.gz	VHCXXIBNUNYYCH-VQIMIIECSA-N	1	0	368.481	1.755	20	30		FDEDRO
CCN1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3ccccc3C#N)[C@H](C)C2)C1	ZINC001094233973	960143534	/nfs/dbraw/zinc/14/35/34/960143534.db2.gz	BPDLDOKBVCWNDF-AHRSYUTCSA-N	1	0	370.497	1.463	20	30		FDEDRO
C=C[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2C)[C@H](C)C1)c1ccccc1	ZINC001094237259	960150066	/nfs/dbraw/zinc/15/00/66/960150066.db2.gz	ZEDDNYRECVPJOR-KBAYOESNSA-N	1	0	353.470	1.969	20	30		FDEDRO
CCn1nc(C)c(C(=O)N2C[C@@H](C[NH2+]Cc3ccccc3C#N)[C@H](C)C2)n1	ZINC001094257611	960232917	/nfs/dbraw/zinc/23/29/17/960232917.db2.gz	IWBJKTAVCHXWCH-RDTXWAMCSA-N	1	0	366.469	1.976	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCOC1	ZINC001110155854	960268002	/nfs/dbraw/zinc/26/80/02/960268002.db2.gz	AZPBCSHBLMBUBJ-WCVJEAGWSA-N	1	0	364.490	1.008	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCC=C	ZINC001110156034	960274404	/nfs/dbraw/zinc/27/44/04/960274404.db2.gz	NPYPZYUDOLJDNJ-PMPSAXMXSA-N	1	0	364.490	1.174	20	30		FDEDRO
C=C(C)CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)nn2)C1	ZINC001094323091	960282377	/nfs/dbraw/zinc/28/23/77/960282377.db2.gz	VYCCKLFBRHCEQG-ZWKOTPCHSA-N	1	0	369.473	1.254	20	30		FDEDRO
C#C[C@@H](NC(=O)NCCc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCCO1	ZINC000773278201	960294210	/nfs/dbraw/zinc/29/42/10/960294210.db2.gz	XKUVCUXLKLJSOD-RTBURBONSA-N	1	0	359.470	1.650	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@@]3(CNC(=O)c4cnn(C)c4)CCC[C@@H]23)C1=O	ZINC001094360816	960315370	/nfs/dbraw/zinc/31/53/70/960315370.db2.gz	WLUFXIZITWHCPI-SQGPQFPESA-N	1	0	371.485	1.181	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCN2CCCC2=O)CC3)c[nH]1	ZINC001094397389	960348593	/nfs/dbraw/zinc/34/85/93/960348593.db2.gz	WDOMXQLZJQGKFG-YLJYHZDGSA-N	1	0	369.469	1.483	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@@]3(CNC(=O)c4cnc(C)[nH]4)CCC[C@@H]23)C1=O	ZINC001094377984	960369586	/nfs/dbraw/zinc/36/95/86/960369586.db2.gz	WAOGLDVMTNKTET-MBOZVWFJSA-N	1	0	371.485	1.479	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC(=O)N(CCOC)C3)CCC[C@@H]12	ZINC001094430152	960435775	/nfs/dbraw/zinc/43/57/75/960435775.db2.gz	DYEISPVDMMPWKX-SQGPQFPESA-N	1	0	363.502	1.418	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc(=O)[nH]c4ncn(C)c43)CCC[C@@H]12	ZINC001094432991	960443671	/nfs/dbraw/zinc/44/36/71/960443671.db2.gz	KVLYHYZVHCYZOW-AUUYWEPGSA-N	1	0	353.426	1.282	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3c(C)oc4nc[nH]c(=O)c43)CCC[C@@H]12	ZINC001094434071	960450074	/nfs/dbraw/zinc/45/00/74/960450074.db2.gz	QVOWPQQWQNYKTO-BFUOFWGJSA-N	1	0	354.410	1.844	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC4N=NC(=O)N4C3)CCC[C@@H]12	ZINC001094453456	960534023	/nfs/dbraw/zinc/53/40/23/960534023.db2.gz	UVTZFSHJMDNMIL-QMTMVMCOSA-N	1	0	359.474	1.483	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(=O)n(CCOC)c3)CCC[C@@H]12	ZINC001094458008	960556952	/nfs/dbraw/zinc/55/69/52/960556952.db2.gz	FXEAFJQLLOGCGB-WIYYLYMNSA-N	1	0	371.481	1.492	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(S(N)(=O)=O)o3)CCC[C@@H]12	ZINC001094459065	960559378	/nfs/dbraw/zinc/55/93/78/960559378.db2.gz	AARQHLZBHQRQMU-CZUORRHYSA-N	1	0	353.444	1.087	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)c3c(C)c(C)nn(C)c3=O)CCC[C@@H]12	ZINC001094485112	960573046	/nfs/dbraw/zinc/57/30/46/960573046.db2.gz	NCOQZAUKPBLFAF-OXQOHEQNSA-N	1	0	358.486	1.948	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)N2CCC2)CC3)cc1	ZINC001094486463	960575197	/nfs/dbraw/zinc/57/51/97/960575197.db2.gz	DHYWPZGYNLCCDJ-DENIHFKCSA-N	1	0	365.477	1.875	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4nnn(C)c4C3)CCC[C@@H]12	ZINC001094497904	960616070	/nfs/dbraw/zinc/61/60/70/960616070.db2.gz	QRHMTVGQEMRDGQ-QKYXUNIQSA-N	1	0	357.502	1.857	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccnc4c3ncn4C)CCC[C@@H]12	ZINC001094507821	960683628	/nfs/dbraw/zinc/68/36/28/960683628.db2.gz	RSFNKXFAFIPROA-OXQOHEQNSA-N	1	0	351.454	1.966	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2cnnn2C)CC3)c1	ZINC001094508978	960688637	/nfs/dbraw/zinc/68/86/37/960688637.db2.gz	XVHZZORRAXBQDZ-UYAOXDASSA-N	1	0	364.453	1.366	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@H]4C[C@H]4C(N)=O)CCC[C@@H]23)s1	ZINC001094513391	960703071	/nfs/dbraw/zinc/70/30/71/960703071.db2.gz	TYFTXGAIZHEJPS-YYAJDYIMSA-N	1	0	372.494	1.602	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCS(=O)(=O)C3)CCC[C@@H]12	ZINC001094527694	960728376	/nfs/dbraw/zinc/72/83/76/960728376.db2.gz	BBNPYDAYHMSWCB-LZLYRXPVSA-N	1	0	352.500	1.195	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cn(C[C@@H]4CCOC4)nn3)CCC[C@@H]12	ZINC001094548094	960738645	/nfs/dbraw/zinc/73/86/45/960738645.db2.gz	OFGIPZZCNQCRGG-ILZDJORESA-N	1	0	371.485	1.312	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)C3CC(=O)NC(=O)C3)CCC[C@@H]12	ZINC001094535057	960753130	/nfs/dbraw/zinc/75/31/30/960753130.db2.gz	YAXXWJNQNMRWGH-CXAGYDPISA-N	1	0	353.850	1.153	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)c3nc4ncccn4n3)CCC[C@@H]12	ZINC001094541291	960779174	/nfs/dbraw/zinc/77/91/74/960779174.db2.gz	BNGXOEOQEDLQBN-CXAGYDPISA-N	1	0	360.849	1.851	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCn2cncn2)CC3)cn1	ZINC001094560816	960811143	/nfs/dbraw/zinc/81/11/43/960811143.db2.gz	ZXIXDHJQPRDCHY-UYAOXDASSA-N	1	0	364.453	1.329	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4nnc(C)n4C3)CCC[C@@H]12	ZINC001094581801	960878204	/nfs/dbraw/zinc/87/82/04/960878204.db2.gz	GBHGFOMREJLZOY-MBOZVWFJSA-N	1	0	355.486	1.533	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH]nc3-c3cnn(C)c3)CCC[C@@H]12	ZINC001094557078	960910660	/nfs/dbraw/zinc/91/06/60/960910660.db2.gz	FDMLUAACJQWETI-YLJYHZDGSA-N	1	0	366.469	1.808	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H]2CCCN(C(=O)OC)C2)CC1	ZINC000773315072	961073431	/nfs/dbraw/zinc/07/34/31/961073431.db2.gz	OEBUZUUFTRCJMK-HUUCEWRRSA-N	1	0	352.479	1.803	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)CC1	ZINC001181769042	961090550	/nfs/dbraw/zinc/09/05/50/961090550.db2.gz	FJZFJSKHUVDSOT-JKSUJKDBSA-N	1	0	367.465	1.795	20	30		FDEDRO
C[N@@H+]1C[C@H](C(=O)NCCCNc2cnc(C#N)cn2)[C@@H](c2ccccc2)C1	ZINC001094796774	961181940	/nfs/dbraw/zinc/18/19/40/961181940.db2.gz	JHFJRAPNKCKEJV-MSOLQXFVSA-N	1	0	364.453	1.612	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H]([N@@H+](C)CC)C2)c1	ZINC001181837994	961197052	/nfs/dbraw/zinc/19/70/52/961197052.db2.gz	AOKCFBHRWVYJNN-HNNXBMFYSA-N	1	0	351.472	1.317	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1	ZINC001181978640	961298093	/nfs/dbraw/zinc/29/80/93/961298093.db2.gz	PSHAHEOGVZRFNW-LSDHHAIUSA-N	1	0	350.463	1.688	20	30		FDEDRO
COc1ccc(C#CC(=O)N(Cc2ccccc2)C2(C[NH3+])COC2)cc1	ZINC001182049050	961379895	/nfs/dbraw/zinc/37/98/95/961379895.db2.gz	XSUAECJFYGWWOE-UHFFFAOYSA-N	1	0	350.418	1.803	20	30		FDEDRO
CNC(=O)CO[C@@H]1COC2(C1)CC[NH+]([C@@H](C)Cc1ccc(C#N)cc1)CC2	ZINC001172304539	961615149	/nfs/dbraw/zinc/61/51/49/961615149.db2.gz	NXTQXFUGORUTOQ-LPHOPBHVSA-N	1	0	371.481	1.875	20	30		FDEDRO
COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2[C@@H](C)Cc2ccc(C#N)cc2)O1	ZINC001172304081	961616485	/nfs/dbraw/zinc/61/64/85/961616485.db2.gz	KNZATEJODHCUOB-PIKADFDJSA-N	1	0	357.454	1.484	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2nnc(Cn3cccn3)n2CC1	ZINC001172308767	961617772	/nfs/dbraw/zinc/61/77/72/961617772.db2.gz	ZTARMNYJTFEFIQ-MRXNPFEDSA-N	1	0	361.453	1.884	20	30		FDEDRO
C#CCN(C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1	ZINC000774171309	961801432	/nfs/dbraw/zinc/80/14/32/961801432.db2.gz	NUMPJPKDJKCJCL-ZACQAIPSSA-N	1	0	369.531	1.186	20	30		FDEDRO
C=C(C)C(=O)NCCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1	ZINC001172966493	961851834	/nfs/dbraw/zinc/85/18/34/961851834.db2.gz	ANZPFGDSTZQRFT-GJZGRUSLSA-N	1	0	350.463	1.950	20	30		FDEDRO
COC(=O)[C@@H](CCC[NH3+])N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1	ZINC001172969841	961856488	/nfs/dbraw/zinc/85/64/88/961856488.db2.gz	YQGJHGLZLNBMIT-MELADBBJSA-N	1	0	354.451	1.148	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H](N2CC[NH+]([C@H]3CCOC3)CC2)C[C@H]1C#N	ZINC001172979537	961862569	/nfs/dbraw/zinc/86/25/69/961862569.db2.gz	FLSUYFUXSZWQQC-IKGGRYGDSA-N	1	0	364.490	1.685	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@]2(C)CCC(=O)NC2=O)C[C@H]1C#N	ZINC001172982557	961865659	/nfs/dbraw/zinc/86/56/59/961865659.db2.gz	DJTNVHJZEFNSGQ-PRXAMGSTSA-N	1	0	350.419	1.063	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CC[C@H](N3CCOCC3)C2)C[C@H]1C#N	ZINC001172984117	961866432	/nfs/dbraw/zinc/86/64/32/961866432.db2.gz	IWIPIOKZQBRFEU-IKGGRYGDSA-N	1	0	364.490	1.685	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](N3CCOCC3)C2)C[C@H]1C#N	ZINC001172984115	961866488	/nfs/dbraw/zinc/86/64/88/961866488.db2.gz	IWIPIOKZQBRFEU-BBWFWOEESA-N	1	0	364.490	1.685	20	30		FDEDRO
CCOC(=O)CN(CC[NH3+])[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1	ZINC001172985439	961869466	/nfs/dbraw/zinc/86/94/66/961869466.db2.gz	OXINDDWPPSFZSC-KBPBESRZSA-N	1	0	354.451	1.102	20	30		FDEDRO
COCC[NH+]1CCN([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1	ZINC001172990835	961901032	/nfs/dbraw/zinc/90/10/32/961901032.db2.gz	YUDXVTPHGWUKRR-HOTGVXAUSA-N	1	0	352.479	1.542	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC3(CNC(=O)N3)CC2)C[C@H]1C#N	ZINC001172991560	961901324	/nfs/dbraw/zinc/90/13/24/961901324.db2.gz	ZLLJSYNMKVIYLY-KBPBESRZSA-N	1	0	363.462	1.425	20	30		FDEDRO
C=CCOC1CCC([N@H+]2CCO[C@@]3(C2)COCCN(C(C)=O)C3)CC1	ZINC001173322079	962005040	/nfs/dbraw/zinc/00/50/40/962005040.db2.gz	YRHIMOOYJZKDHQ-ACBHZAAOSA-N	1	0	352.475	1.450	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[N@@H+](C2CCC(CC#N)CC2)C[C@@H]1C(N)=O	ZINC001173339125	962011084	/nfs/dbraw/zinc/01/10/84/962011084.db2.gz	MAISMZYLCODANI-YMAMQOFZSA-N	1	0	350.463	1.865	20	30		FDEDRO
N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC[C@H]1CCCCO1	ZINC001110301368	962072737	/nfs/dbraw/zinc/07/27/37/962072737.db2.gz	CQTOTDZXGCZMPQ-VQHPVUNQSA-N	1	0	367.515	1.550	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+]CCN3CC4(COC4)C3)CC2)cc1	ZINC001173425428	962131942	/nfs/dbraw/zinc/13/19/42/962131942.db2.gz	UUXNQXGYTSEBKR-UHFFFAOYSA-N	1	0	354.454	1.085	20	30		FDEDRO
CC(=O)N1CC[C@H](C[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1	ZINC001173427878	962139818	/nfs/dbraw/zinc/13/98/18/962139818.db2.gz	SRMZFEDPQLPDRA-QGZVFWFLSA-N	1	0	354.454	1.621	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NCC(C)C)C1	ZINC001182669038	962378394	/nfs/dbraw/zinc/37/83/94/962378394.db2.gz	BLDDUEAESZMZFM-PDOICOKGSA-N	1	0	365.518	1.424	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2cn(C)nc2C)C1	ZINC001182684714	962432406	/nfs/dbraw/zinc/43/24/06/962432406.db2.gz	KQJZFORXSQREHD-XUMLPFHTSA-N	1	0	360.502	1.894	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2csnn2)C1	ZINC001182685049	962432454	/nfs/dbraw/zinc/43/24/54/962432454.db2.gz	NTGLYULVWIKXRD-JJAZEVLHSA-N	1	0	350.488	1.703	20	30		FDEDRO
C=CCOC(=O)N1CC2(C1)CC[NH+]([C@@H]1CCC[C@H](n3ncnn3)C1)CC2	ZINC001173756133	962633126	/nfs/dbraw/zinc/63/31/26/962633126.db2.gz	OEAHAJXXFBGZQE-CVEARBPZSA-N	1	0	360.462	1.877	20	30		FDEDRO
CN1CCN(c2ncccc2NC(=O)COc2ccc(C#N)cc2)CC1	ZINC001182914585	962658275	/nfs/dbraw/zinc/65/82/75/962658275.db2.gz	WTDKRIOBZMLYHX-UHFFFAOYSA-N	1	0	351.410	1.723	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CCN(Cc2ccc(C(=O)OC)cc2)CC1	ZINC001183044331	962757629	/nfs/dbraw/zinc/75/76/29/962757629.db2.gz	HXDJJNIUPGSGCK-UHFFFAOYSA-N	1	0	371.481	1.769	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CCN(c2ccnc(N3CCCC3)n2)CC1	ZINC001183044108	962758440	/nfs/dbraw/zinc/75/84/40/962758440.db2.gz	CUCWNGVSQZQPPF-UHFFFAOYSA-N	1	0	370.501	1.377	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1	ZINC000773415387	962963633	/nfs/dbraw/zinc/96/36/33/962963633.db2.gz	BUYFIWPYRSFXIG-JKSUJKDBSA-N	1	0	357.454	1.968	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1CC	ZINC001175351184	963160137	/nfs/dbraw/zinc/16/01/37/963160137.db2.gz	UIDRRDOZRDDCKC-RBSFLKMASA-N	1	0	352.479	1.309	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cncn1C	ZINC001175360091	963166136	/nfs/dbraw/zinc/16/61/36/963166136.db2.gz	YEZCZWQSYVPCJA-ARFHVFGLSA-N	1	0	361.490	1.090	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=O)N(CC)CC	ZINC001175365434	963169985	/nfs/dbraw/zinc/16/99/85/963169985.db2.gz	KZLHUUPLDTVUQQ-ZACQAIPSSA-N	1	0	353.507	1.711	20	30		FDEDRO
N#C[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCN(Cc2cccnc2)C1	ZINC001183613946	963190326	/nfs/dbraw/zinc/19/03/26/963190326.db2.gz	VLLBZWIRTUQNMQ-MSOLQXFVSA-N	1	0	350.422	1.860	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1cnnn1C	ZINC001175629906	963242285	/nfs/dbraw/zinc/24/22/85/963242285.db2.gz	MYTQHOMMGYBTIU-NJAFHUGGSA-N	1	0	363.506	1.951	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CCS(C)(=O)=O	ZINC001175664661	963260676	/nfs/dbraw/zinc/26/06/76/963260676.db2.gz	XEBRAQAKKRSIGC-PMPSAXMXSA-N	1	0	360.520	1.277	20	30		FDEDRO
C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H]1CCCCN1Cc1ccccc1C#N	ZINC001183830566	963301506	/nfs/dbraw/zinc/30/15/06/963301506.db2.gz	FPOMEVSLBOFEPR-UXHICEINSA-N	1	0	370.497	1.702	20	30		FDEDRO
C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2CN(c3cccc(C#N)c3)C(=O)O2)C1	ZINC001184376372	963562119	/nfs/dbraw/zinc/56/21/19/963562119.db2.gz	RLZSFXCSBLCCQY-PBHICJAKSA-N	1	0	356.426	1.732	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C1	ZINC001184454383	963622941	/nfs/dbraw/zinc/62/29/41/963622941.db2.gz	WWRGFDPTHIDOFY-LMMKCTJWSA-N	1	0	361.486	1.193	20	30		FDEDRO
O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CC[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C1	ZINC001184483901	963631895	/nfs/dbraw/zinc/63/18/95/963631895.db2.gz	XOPGOOIMSJCQBB-OJAHFUOMSA-N	1	0	372.440	1.419	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCC(NC(C)=O)CC1)C2	ZINC001110200586	963692144	/nfs/dbraw/zinc/69/21/44/963692144.db2.gz	NZBJXMZUIYLZMP-GXZRBYELSA-N	1	0	363.502	1.605	20	30		FDEDRO
CC[NH+](CC)CCN(C(=N)N)C(=O)c1cc(Cl)c(C#N)c(Cl)n1	ZINC001184819054	963725365	/nfs/dbraw/zinc/72/53/65/963725365.db2.gz	NOSPWTPLHYCWLF-UHFFFAOYSA-N	1	0	357.245	1.938	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(C(=O)CN(CCC#N)C(=O)OC(C)(C)C)C[C@@H]21	ZINC001184855448	963739543	/nfs/dbraw/zinc/73/95/43/963739543.db2.gz	CGORQVGNRYZESF-CABCVRRESA-N	1	0	350.463	1.690	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCC2(CC[N@H+](CC(=O)NCCC#N)C2)CC1	ZINC000773632799	963749638	/nfs/dbraw/zinc/74/96/38/963749638.db2.gz	RRVMRGDUWRUXHS-UHFFFAOYSA-N	1	0	350.463	1.739	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CCC[NH2+][C@H](C)C(N)=O)CC1CCCC1	ZINC001177319338	963759260	/nfs/dbraw/zinc/75/92/60/963759260.db2.gz	IYBUMWNMSHSPLM-NXHRZFHOSA-N	1	0	365.518	1.840	20	30		FDEDRO
C#CC[NH2+]CCCN(CC1CCCC1)C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1	ZINC001177365542	963804194	/nfs/dbraw/zinc/80/41/94/963804194.db2.gz	DISATESGUKMBAL-MSOLQXFVSA-N	1	0	363.502	1.431	20	30		FDEDRO
C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[C@@H](C(N)=O)O1	ZINC001177416230	963822189	/nfs/dbraw/zinc/82/21/89/963822189.db2.gz	WWZDQSVYURUAMU-ZWKOTPCHSA-N	1	0	365.518	1.984	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1OCC[C@H]1C	ZINC001177423564	963825115	/nfs/dbraw/zinc/82/51/15/963825115.db2.gz	DCBFQBQCGRACSI-APWZRJJASA-N	1	0	365.518	1.712	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(Cc2ccccc2)CC2(O)CN(CC#N)C2)CC[N@@H+]1C	ZINC001177529308	963867405	/nfs/dbraw/zinc/86/74/05/963867405.db2.gz	HCSKSVLTLQQVCV-RBUKOAKNSA-N	1	0	370.497	1.316	20	30		FDEDRO
CC(C)C[C@H](C(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1	ZINC001110211602	963902343	/nfs/dbraw/zinc/90/23/43/963902343.db2.gz	MITADTDWRUNKCK-YRXWBPOGSA-N	1	0	368.481	1.927	20	30		FDEDRO
C#CCC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)nn1	ZINC001186007994	964250659	/nfs/dbraw/zinc/25/06/59/964250659.db2.gz	MUVUHFLPDDGUGX-MLHJIOFPSA-N	1	0	357.458	1.122	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(C)=O)C1	ZINC001186157674	964328329	/nfs/dbraw/zinc/32/83/29/964328329.db2.gz	YEWMVGPDXBZZQM-POZUXBRTSA-N	1	0	359.445	1.505	20	30		FDEDRO
C=CCOCC(=O)NC[C@@H]1C[N@H+](CCCO)CC[C@@H]1c1ccc(F)cc1	ZINC001186180285	964331178	/nfs/dbraw/zinc/33/11/78/964331178.db2.gz	LKVCNUMCBWBRIT-IEBWSBKVSA-N	1	0	364.461	1.932	20	30		FDEDRO
C=CCOCC(=O)NC[C@@H]1C[N@H+](CCO)CC[C@@H]1c1ccc(F)cc1	ZINC001186181373	964332657	/nfs/dbraw/zinc/33/26/57/964332657.db2.gz	VQPLHYHSXHYRSE-SJLPKXTDSA-N	1	0	350.434	1.542	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cn2nccn2)C1	ZINC001186190256	964341020	/nfs/dbraw/zinc/34/10/20/964341020.db2.gz	ZADUIZWIMFKOIH-SJLPKXTDSA-N	1	0	357.433	1.825	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1nc(C#N)c(C#N)nc1N	ZINC001178723797	964361500	/nfs/dbraw/zinc/36/15/00/964361500.db2.gz	YYPQVCXIMFVWMJ-TZMCWYRMSA-N	1	0	361.409	1.509	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N(CC)C2CC2)C1	ZINC001186213434	964379759	/nfs/dbraw/zinc/37/97/59/964379759.db2.gz	HWKYHSNDEIHISB-AYBZRNKSSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](C[NH2+]CCF)C2(C1)CCOCC2	ZINC001186373369	964481839	/nfs/dbraw/zinc/48/18/39/964481839.db2.gz	JAFKLHNSZDDDMU-BBWFWOEESA-N	1	0	354.466	1.782	20	30		FDEDRO
C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccnn2C)CC12CCOCC2	ZINC001186434600	964508985	/nfs/dbraw/zinc/50/89/85/964508985.db2.gz	VSALSANUPQYTCJ-GVDBMIGSSA-N	1	0	358.486	1.554	20	30		FDEDRO
C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)CC12CCOCC2	ZINC001186504111	964531527	/nfs/dbraw/zinc/53/15/27/964531527.db2.gz	LUKXKUIBIDJRCE-GVDBMIGSSA-N	1	0	358.486	1.554	20	30		FDEDRO
C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC([NH2+][C@H]2CCOC2)C1	ZINC001179008628	964623387	/nfs/dbraw/zinc/62/33/87/964623387.db2.gz	OSHBGWSTMWEPLN-HOCLYGCPSA-N	1	0	367.490	1.825	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CCO[C@H]1C1CC1	ZINC001179089451	964711052	/nfs/dbraw/zinc/71/10/52/964711052.db2.gz	BYJKKRHODUDBPJ-JQHSSLGASA-N	1	0	363.502	1.206	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CCO[C@H]1C1CC1	ZINC001179090150	964713488	/nfs/dbraw/zinc/71/34/88/964713488.db2.gz	VKTWXRPRPLEWJO-NXHRZFHOSA-N	1	0	365.518	1.758	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@H]1C	ZINC001179184499	964747009	/nfs/dbraw/zinc/74/70/09/964747009.db2.gz	ZOXYSAITZOPMTG-BMSNMYEMSA-N	1	0	373.497	1.189	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ccc3nonc3c2)C1	ZINC000962321220	1013530978	/nfs/dbraw/zinc/53/09/78/1013530978.db2.gz	IOZKZJUHINCVOU-HNFMNYKYSA-N	1	0	356.426	1.798	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+][C@H]1CCN(CC)C1=O	ZINC001179634276	964941149	/nfs/dbraw/zinc/94/11/49/964941149.db2.gz	PYUPEUYTFTUNKP-IKGGRYGDSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+]CCN1CCCC1=O	ZINC001179638180	964942264	/nfs/dbraw/zinc/94/22/64/964942264.db2.gz	MWDBWMFAQSESHW-SJORKVTESA-N	1	0	351.491	1.466	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]CCCCCCNC(=O)[C@H]1CC[C@@H](C)O1	ZINC001179643115	964942675	/nfs/dbraw/zinc/94/26/75/964942675.db2.gz	NMPVSMZJQUOZKD-IAGOWNOFSA-N	1	0	366.506	1.582	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(C[NH+](C)C)nc2)c1	ZINC000773829095	964973282	/nfs/dbraw/zinc/97/32/82/964973282.db2.gz	DXKIDVPXMZDORA-UHFFFAOYSA-N	1	0	350.422	1.835	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccc2c(c1)OCCO2	ZINC001110388940	964982180	/nfs/dbraw/zinc/98/21/80/964982180.db2.gz	JTRBTDFUQPROLN-KURKYZTESA-N	1	0	372.465	1.924	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOc1cccc(OC)c1	ZINC001110389415	964987247	/nfs/dbraw/zinc/98/72/47/964987247.db2.gz	RXEOVNGOSAVIQG-LZQZEXGQSA-N	1	0	360.454	1.998	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC000957591802	1013556677	/nfs/dbraw/zinc/55/66/77/1013556677.db2.gz	XCQYZISGQCSPKE-CZUORRHYSA-N	1	0	357.458	1.337	20	30		FDEDRO
COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N[C@H](C#N)CC(C)C	ZINC001180411316	965316637	/nfs/dbraw/zinc/31/66/37/965316637.db2.gz	ZHYSUPODGQOWKT-OKZBNKHCSA-N	1	0	357.454	1.962	20	30		FDEDRO
Cc1ncc(C[NH3+])c(=N)n1C(=O)C1CCN(c2ccccc2C#N)CC1	ZINC001180505635	965370160	/nfs/dbraw/zinc/37/01/60/965370160.db2.gz	BTDDAELADWOXHQ-UHFFFAOYSA-N	1	0	350.426	1.558	20	30		FDEDRO
C=CCSCC(=O)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1	ZINC001180559609	965400257	/nfs/dbraw/zinc/40/02/57/965400257.db2.gz	VKAUKTOAFVNKON-UHFFFAOYSA-N	1	0	357.483	1.876	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(C(C)C)n3)C[C@H]21	ZINC001187598507	965520106	/nfs/dbraw/zinc/52/01/06/965520106.db2.gz	QTMYQUBQYJEFOE-QFBILLFUSA-N	1	0	368.481	1.377	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@H+](CCCCc3ccccc3)C[C@H]21	ZINC001187605730	965555306	/nfs/dbraw/zinc/55/53/06/965555306.db2.gz	RHACFJOOHUOGSI-VQTJNVASSA-N	1	0	367.493	1.682	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CC[C@H]2CN(CC(=O)NCC(C)(C)C)C[C@H]21	ZINC001187764036	965729771	/nfs/dbraw/zinc/72/97/71/965729771.db2.gz	XDVFOLMAKLTNPT-QMTMVMCOSA-N	1	0	351.491	1.009	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CC[C@H]2CN(CC(=O)N(C)c3ccccc3)C[C@H]21	ZINC001187763725	965731174	/nfs/dbraw/zinc/73/11/74/965731174.db2.gz	TWZSGHKVPOIYDR-CDXJDZJCSA-N	1	0	371.481	1.509	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC3(O)CCC3)[C@@H]2C1	ZINC001187803664	965747440	/nfs/dbraw/zinc/74/74/40/965747440.db2.gz	FPLDFBUWQMNVIA-DLBZAZTESA-N	1	0	361.486	1.025	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(OC)c(C#N)c3)C[C@H]21	ZINC001187882835	965884641	/nfs/dbraw/zinc/88/46/41/965884641.db2.gz	XCRFBCOVFBARNX-VDZJLULYSA-N	1	0	367.449	1.638	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](CCOCc3ccccc3)C[C@H]21	ZINC001187883029	965885270	/nfs/dbraw/zinc/88/52/70/965885270.db2.gz	ZUHRASJZRYAHQU-YSIASYRMSA-N	1	0	356.466	1.774	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4ccccc4c(=O)o3)[C@@H]2C1	ZINC001188050692	965968334	/nfs/dbraw/zinc/96/83/34/965968334.db2.gz	CVBWUAUEFDGQOG-FUHWJXTLSA-N	1	0	366.417	1.589	20	30		FDEDRO
C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ccnn3[C@@H](C)CC)[C@@H]2C1	ZINC001188067680	965989047	/nfs/dbraw/zinc/98/90/47/965989047.db2.gz	FCBUMGJVLNBQNT-YQQAZPJKSA-N	1	0	359.474	1.303	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cnc4[nH]c(C)nc4c3)[C@@H]2C1	ZINC001188173561	966076290	/nfs/dbraw/zinc/07/62/90/966076290.db2.gz	LAURBLPIVHGMIH-WMLDXEAASA-N	1	0	355.442	1.615	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)c3c(C)noc3C)[C@@H]2C1	ZINC001188369943	966241372	/nfs/dbraw/zinc/24/13/72/966241372.db2.gz	SVJAHSQMFNEGII-FHLIZLRMSA-N	1	0	359.470	1.968	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc4ncn(C)c43)[C@@H]2C1	ZINC001188383133	966252691	/nfs/dbraw/zinc/25/26/91/966252691.db2.gz	OSWQDTINCIPUEA-MAUKXSAKSA-N	1	0	354.454	1.922	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3noc4ccccc43)[C@@H]2C1	ZINC001188484859	966312744	/nfs/dbraw/zinc/31/27/44/966312744.db2.gz	BVUZYOLPRGNEEJ-MAUKXSAKSA-N	1	0	353.422	1.553	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cnc4c3CCCC4)[C@@H]2C1	ZINC001188568290	966399786	/nfs/dbraw/zinc/39/97/86/966399786.db2.gz	JEHZGPKFJZHLMF-QFBILLFUSA-N	1	0	358.486	1.497	20	30		FDEDRO
CCc1nc2c(nccc2C(=O)N2CC[C@H]3C[N@H+](CC#CCOC)C[C@H]32)[nH]1	ZINC001188636235	966481941	/nfs/dbraw/zinc/48/19/41/966481941.db2.gz	KOAGNBYIIOKRIZ-GOEBONIOSA-N	1	0	367.453	1.316	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)NC(=O)C(C)(C)C)[C@@H]2C1	ZINC001188752923	966524157	/nfs/dbraw/zinc/52/41/57/966524157.db2.gz	NHKWMHPTNXDCHD-OWCLPIDISA-N	1	0	351.491	1.273	20	30		FDEDRO
C#CCCCCCC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21	ZINC001188813639	966597989	/nfs/dbraw/zinc/59/79/89/966597989.db2.gz	OSMSAIFNGXHNIZ-OKZBNKHCSA-N	1	0	355.486	1.882	20	30		FDEDRO
C=CCCCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)COCC(F)(F)F)C[C@H]21	ZINC001189006784	966696703	/nfs/dbraw/zinc/69/67/03/966696703.db2.gz	IMMDOZXPZXYYQA-SOUVJXGZSA-N	1	0	364.408	1.815	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3CN(CC(=O)NC(C)(C)C)C[C@H]32)c1	ZINC001189067862	966730788	/nfs/dbraw/zinc/73/07/88/966730788.db2.gz	APFKYQCBQMTEFA-DOTOQJQBSA-N	1	0	354.454	1.124	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)OCc3ccncc3)[C@@H]2C1	ZINC001189181742	966807269	/nfs/dbraw/zinc/80/72/69/966807269.db2.gz	GWWXNNHVKOPKMJ-YTQUADARSA-N	1	0	357.454	1.169	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C	ZINC000964523528	1013679900	/nfs/dbraw/zinc/67/99/00/1013679900.db2.gz	DUJXRRKLJIJPBX-XDNAFOTISA-N	1	0	365.518	1.805	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)COC[C@H]4CCOC4)[C@@H]3C2)c1	ZINC001189294101	966877625	/nfs/dbraw/zinc/87/76/25/966877625.db2.gz	YICAMWLTPNWPOS-SLFFLAALSA-N	1	0	369.465	1.644	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3nn(C)c(C)c3Cl)[C@@H]2C1	ZINC001189267141	966887918	/nfs/dbraw/zinc/88/79/18/966887918.db2.gz	ISHAQMHSBAAPOG-UONOGXRCSA-N	1	0	352.866	1.731	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)COCc3ccccc3C)[C@@H]2C1	ZINC001189391025	966934957	/nfs/dbraw/zinc/93/49/57/966934957.db2.gz	NZDMLZOETPGNLN-AZUAARDMSA-N	1	0	356.466	1.694	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CC#CCOC)C[C@H]32)cc1	ZINC001189359630	966944567	/nfs/dbraw/zinc/94/45/67/966944567.db2.gz	TYZQATKPTRPUIK-AZUAARDMSA-N	1	0	352.434	1.495	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CCN(C(=O)CC2CC[NH+](C)CC2)C1	ZINC000957641325	1013692373	/nfs/dbraw/zinc/69/23/73/1013692373.db2.gz	QXGJFPWHOBFRKJ-UWVAXJGDSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)[C@@H]2C1	ZINC001189515166	967024616	/nfs/dbraw/zinc/02/46/16/967024616.db2.gz	ZTTKDJYVGNBIQY-DUVNUKRYSA-N	1	0	360.458	1.626	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3n[nH]c4c3C[C@H](C)CC4)[C@@H]2C1	ZINC001189597697	967067046	/nfs/dbraw/zinc/06/70/46/967067046.db2.gz	MDKNMQTWDPBKIK-RVKKMQEKSA-N	1	0	358.486	1.883	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC(=O)NC3=O)[C@@H]2C1	ZINC001189682672	967153454	/nfs/dbraw/zinc/15/34/54/967153454.db2.gz	AFWUEIMVHKEMKT-JKSUJKDBSA-N	1	0	364.490	1.431	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852307667	967205929	/nfs/dbraw/zinc/20/59/29/967205929.db2.gz	CDBSOLZLGANJKE-LBPRGKRZSA-N	1	0	356.467	1.622	20	30		FDEDRO
COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3CCC[C@@H](CC#N)C3)CC2)cc1	ZINC000852319984	967219979	/nfs/dbraw/zinc/21/99/79/967219979.db2.gz	UNAQSTBYFLTONA-ICSRJNTNSA-N	1	0	372.513	1.804	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)[C@@H]2C1	ZINC001189780822	967263362	/nfs/dbraw/zinc/26/33/62/967263362.db2.gz	ZLAVGDZRIBUUQX-FRRDWIJNSA-N	1	0	362.430	1.397	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CCOC[C@@H]4CCCO4)C[C@H]32)nc1	ZINC001189844866	967347775	/nfs/dbraw/zinc/34/77/75/967347775.db2.gz	ZLKLFLPCLIUCQI-CMKODMSKSA-N	1	0	369.465	1.405	20	30		FDEDRO
C#CCNC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1	ZINC000852472216	967355940	/nfs/dbraw/zinc/35/59/40/967355940.db2.gz	ALTYWCVLKMILQU-KBPBESRZSA-N	1	0	359.392	1.391	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccn(C)c(=O)c2)CCC1	ZINC001110651124	967382997	/nfs/dbraw/zinc/38/29/97/967382997.db2.gz	OUDCFSSNADVMBE-KURKYZTESA-N	1	0	353.466	1.800	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)CNS(=O)(=O)CCCC)[C@@H]2C1	ZINC001189969723	967423340	/nfs/dbraw/zinc/42/33/40/967423340.db2.gz	LUBFBFGXRSHWLT-JKSUJKDBSA-N	1	0	357.520	1.205	20	30		FDEDRO
N#CCCNC(=O)C[NH+]1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1	ZINC000852600490	967456742	/nfs/dbraw/zinc/45/67/42/967456742.db2.gz	IZFUORDKVXBTNL-AWEZNQCLSA-N	1	0	374.407	1.529	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH+]1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1	ZINC000852600518	967458340	/nfs/dbraw/zinc/45/83/40/967458340.db2.gz	JCMMBZSTGTYWEU-ZFWWWQNUSA-N	1	0	373.419	1.637	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3nc(C)n(C)c3=O)[C@@H]2C1	ZINC001189998630	967489220	/nfs/dbraw/zinc/48/92/20/967489220.db2.gz	GBNOYSJIDGJVRS-DLBZAZTESA-N	1	0	363.506	1.393	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(F)cc3)[C@@H]2C1	ZINC001189999689	967491320	/nfs/dbraw/zinc/49/13/20/967491320.db2.gz	VYDIWWSLFRGKRP-UWWQBHOKSA-N	1	0	357.429	1.039	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)COc3ccc4c(c3)CCC4)[C@@H]2C1	ZINC001190042769	967512748	/nfs/dbraw/zinc/51/27/48/967512748.db2.gz	VSULIFKKKUMNAC-PZJWPPBQSA-N	1	0	368.477	1.737	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccccc3C)[C@@H]2C1	ZINC001190101372	967537376	/nfs/dbraw/zinc/53/73/76/967537376.db2.gz	ZFJFAZOHEASUPP-NZSAHSFTSA-N	1	0	353.466	1.208	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)Nc1ccccc1C(=O)NC[C@H]1CCCO1	ZINC000852806244	967621304	/nfs/dbraw/zinc/62/13/04/967621304.db2.gz	GYHIFKVOVYVOQU-MRXNPFEDSA-N	1	0	355.438	1.537	20	30		FDEDRO
NC(=O)[C@H](NC(=O)C#CC1CC[NH2+]CC1)c1cccc(Br)c1	ZINC000852822557	967633199	/nfs/dbraw/zinc/63/31/99/967633199.db2.gz	CXHMLJXFRJCQJT-OAHLLOKOSA-N	1	0	364.243	1.095	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCC(C(=O)N2CCc3ccccc32)CC1	ZINC000852822061	967633422	/nfs/dbraw/zinc/63/34/22/967633422.db2.gz	HOOLOEFDWICDFX-UHFFFAOYSA-N	1	0	365.477	1.817	20	30		FDEDRO
N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(-c2cccc(Br)c2)no1	ZINC000852827859	967638705	/nfs/dbraw/zinc/63/87/05/967638705.db2.gz	QOSSWPBLNYSEBU-GWCFXTLKSA-N	1	0	361.199	1.945	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC1CCC1	ZINC001110423994	967650493	/nfs/dbraw/zinc/65/04/93/967650493.db2.gz	DTDCJNLRBDJJEE-KURKYZTESA-N	1	0	363.502	1.607	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NCC1CCN(C(=O)c2ccccc2)CC1	ZINC000852844638	967651434	/nfs/dbraw/zinc/65/14/34/967651434.db2.gz	YGCQIYUMYQAVGS-UHFFFAOYSA-N	1	0	353.466	1.658	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)Nc1ccc(F)c(-n2nnnc2C2CC2)c1	ZINC000852844502	967651757	/nfs/dbraw/zinc/65/17/57/967651757.db2.gz	VFVVBURRMZXOPA-UHFFFAOYSA-N	1	0	354.389	1.620	20	30		FDEDRO
COc1ccc(CN2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)cc1F	ZINC000852855131	967659668	/nfs/dbraw/zinc/65/96/68/967659668.db2.gz	FPEVHVKXDNGCTR-UHFFFAOYSA-N	1	0	359.445	1.482	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NC1CCN(CC(=O)Nc2ccccc2)CC1	ZINC000852857430	967661654	/nfs/dbraw/zinc/66/16/54/967661654.db2.gz	SKLRFJADQVJLAE-UHFFFAOYSA-N	1	0	368.481	1.209	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NCc1cccc(NC(=O)c2ccccn2)c1	ZINC000852861089	967667314	/nfs/dbraw/zinc/66/73/14/967667314.db2.gz	OFXSPDIDXDNRCY-UHFFFAOYSA-N	1	0	362.433	1.953	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NC[C@H](c1cccc(F)c1)N1CCOCC1	ZINC000852863153	967668207	/nfs/dbraw/zinc/66/82/07/967668207.db2.gz	RHVOTNVSJVSEDM-LJQANCHMSA-N	1	0	359.445	1.318	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NCCCc1nc(-c2ccc(F)cc2)no1	ZINC000852887978	967691093	/nfs/dbraw/zinc/69/10/93/967691093.db2.gz	FXBNKXMBUMQGTH-UHFFFAOYSA-N	1	0	356.401	1.928	20	30		FDEDRO
C=CCCCCCN1C[C@@H]2CCN(C(=O)[C@H]3CCCS3(=O)=O)[C@@H]2C1	ZINC001190254575	967696909	/nfs/dbraw/zinc/69/69/09/967696909.db2.gz	BRSATHCPYASHOI-GVDBMIGSSA-N	1	0	354.516	1.843	20	30		FDEDRO
C=C[C@H](CC(=O)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21)c1ccccc1	ZINC001190305118	967719235	/nfs/dbraw/zinc/71/92/35/967719235.db2.gz	HLADCOJMUYQVBU-YZGWKJHDSA-N	1	0	358.482	1.888	20	30		FDEDRO
CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CC#Cc4ccccc4)[C@@H]3C2)C1=O	ZINC001190291154	967742379	/nfs/dbraw/zinc/74/23/79/967742379.db2.gz	UNWZMWFPBKVZHU-SLFFLAALSA-N	1	0	365.477	1.582	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)CS(C)(=O)=O)[C@@H]2C1	ZINC001190377658	967813229	/nfs/dbraw/zinc/81/32/29/967813229.db2.gz	HHOCOBDFJKVSSY-IXDOHACOSA-N	1	0	356.532	1.946	20	30		FDEDRO
N#Cc1ccc([C@H](NCc2ccc(N3CCCNC3=O)cc2)C(N)=O)cc1	ZINC000853081214	967815989	/nfs/dbraw/zinc/81/59/89/967815989.db2.gz	JTFLZCNSHKHRTF-SFHVURJKSA-N	1	0	363.421	1.794	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(N(C)C(C)=O)cc3)[C@@H]2C1	ZINC001190409693	967822031	/nfs/dbraw/zinc/82/20/31/967822031.db2.gz	MEFNNJJFXJYPOF-AZUAARDMSA-N	1	0	369.465	1.465	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]21	ZINC001190430688	967842911	/nfs/dbraw/zinc/84/29/11/967842911.db2.gz	KYPLVAFCQOMKLZ-BFHYXJOUSA-N	1	0	350.381	1.425	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]21	ZINC001190450012	967877172	/nfs/dbraw/zinc/87/71/72/967877172.db2.gz	MQGHHCCCWYSQRG-OWCLPIDISA-N	1	0	366.506	1.208	20	30		FDEDRO
CCN(C)c1ccc(C(=O)N2CC[C@H]3C[N@H+](CC#CCOC)C[C@H]32)cc1	ZINC001190467786	967896147	/nfs/dbraw/zinc/89/61/47/967896147.db2.gz	YTIJQQQDJZOXPD-AZUAARDMSA-N	1	0	355.482	1.939	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@](C)(NC(=O)[C@H]3CC[C@@H](C)O3)C2)CC1	ZINC000957675409	1013757804	/nfs/dbraw/zinc/75/78/04/1013757804.db2.gz	KWZOWFCBCIRCHL-WRWLIDTKSA-N	1	0	361.486	1.006	20	30		FDEDRO
C#Cc1cccnc1N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1	ZINC000853324348	967970748	/nfs/dbraw/zinc/97/07/48/967970748.db2.gz	CECCAXFMJAKUDT-QGZVFWFLSA-N	1	0	364.453	1.770	20	30		FDEDRO
CCOC(=O)c1ccc(S(=O)(=O)NN=Cc2cnc(C)n2C)cc1	ZINC000853323581	967970804	/nfs/dbraw/zinc/97/08/04/967970804.db2.gz	HFXBQIFNWGSNTE-UHFFFAOYSA-N	1	0	350.400	1.218	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2	ZINC001110665022	967998593	/nfs/dbraw/zinc/99/85/93/967998593.db2.gz	IOGMFBDTZGMHMC-KURKYZTESA-N	1	0	374.529	1.393	20	30		FDEDRO
C=CCN(CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O)[C@@H](C)COC	ZINC000853533925	968090085	/nfs/dbraw/zinc/09/00/85/968090085.db2.gz	DUPVLDWMDJSRCC-YTQUADARSA-N	1	0	371.481	1.584	20	30		FDEDRO
C#Cc1cnc(NC(=O)c2ccc(CN3CC[NH+](CC)CC3)cc2)c(C#C)n1	ZINC001190840005	968118393	/nfs/dbraw/zinc/11/83/93/968118393.db2.gz	MVIJAWRXQAPJQJ-UHFFFAOYSA-N	1	0	373.460	1.829	20	30		FDEDRO
Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1	ZINC000853584165	968143693	/nfs/dbraw/zinc/14/36/93/968143693.db2.gz	MHAXJUZKCQGYRS-QGZVFWFLSA-N	1	0	367.457	1.770	20	30		FDEDRO
CO[C@H](CO[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCOC1	ZINC000853673502	968240323	/nfs/dbraw/zinc/24/03/23/968240323.db2.gz	WKTWCSDVRPCXMF-CRAIPNDOSA-N	1	0	363.458	1.336	20	30		FDEDRO
C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCC[N@H+]1CCOC	ZINC000853712150	968266747	/nfs/dbraw/zinc/26/67/47/968266747.db2.gz	KSXMQJLTRLGWOT-HNNXBMFYSA-N	1	0	353.463	1.084	20	30		FDEDRO
C#CCCN(CCOC)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1	ZINC000853823963	968350067	/nfs/dbraw/zinc/35/00/67/968350067.db2.gz	PMGVIGCDRFOGIF-UHFFFAOYSA-N	1	0	373.497	1.825	20	30		FDEDRO
CCOC(=O)CC1([NH3+])CCN(C(=O)c2ccc(C#CC(C)(C)O)cc2)CC1	ZINC001191189427	968355715	/nfs/dbraw/zinc/35/57/15/968355715.db2.gz	XTSDGZGVPCUBNI-UHFFFAOYSA-N	1	0	372.465	1.696	20	30		FDEDRO
C#C[C@@H](CC)NC(=O)N1CCC(C(=O)NCCC[NH+](CC)CC)CC1	ZINC000854070228	968571733	/nfs/dbraw/zinc/57/17/33/968571733.db2.gz	KIQSLWHOQHBKRN-KRWDZBQOSA-N	1	0	350.507	1.668	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1	ZINC000854094121	968587477	/nfs/dbraw/zinc/58/74/77/968587477.db2.gz	FDJFPCHRNOZSMZ-OLZOCXBDSA-N	1	0	363.380	1.325	20	30		FDEDRO
C=CCN1CC[C@@H]([NH+]2CCC(c3nccc(N4CCOCC4)n3)CC2)C1=O	ZINC000854102802	968595424	/nfs/dbraw/zinc/59/54/24/968595424.db2.gz	DORWFEHDHNDWAR-QGZVFWFLSA-N	1	0	371.485	1.280	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH+]1CCC(c2nccc(-c3cnn(C)c3)n2)CC1	ZINC000854103734	968598295	/nfs/dbraw/zinc/59/82/95/968598295.db2.gz	PRSZVUDLTOQYOE-CQSZACIVSA-N	1	0	354.458	1.747	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(C(=O)c2cc(C#N)ccc2F)CC1	ZINC000854440521	968891063	/nfs/dbraw/zinc/89/10/63/968891063.db2.gz	SEILLRCSXLIYIA-UHFFFAOYSA-N	1	0	363.433	1.897	20	30		FDEDRO
C=CC[C@]1(C(=O)N[C@H](CO)C[NH+](C)C)CCCN1C(=O)OC(C)(C)C	ZINC000854464950	968913023	/nfs/dbraw/zinc/91/30/23/968913023.db2.gz	NFQSCQNNDNZEQD-KBXCAEBGSA-N	1	0	355.479	1.371	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000854632521	969036930	/nfs/dbraw/zinc/03/69/30/969036930.db2.gz	NHDGMHOYACTBMK-PMACEKPBSA-N	1	0	369.509	1.904	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@H+](CCCc2ccccc2OC)C[C@H]1O	ZINC001192321122	969062310	/nfs/dbraw/zinc/06/23/10/969062310.db2.gz	QMJPELLJVIYFQV-RTBURBONSA-N	1	0	358.482	1.983	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCOCC(F)(F)F)C1	ZINC001192426756	969103043	/nfs/dbraw/zinc/10/30/43/969103043.db2.gz	RURLRDGXPLEDGT-MJBXVCDLSA-N	1	0	350.381	1.689	20	30		FDEDRO
C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2c2ccccc2)C1	ZINC001192794682	969301824	/nfs/dbraw/zinc/30/18/24/969301824.db2.gz	NNEINSNSPXQJSE-NSHGMRRFSA-N	1	0	371.481	1.599	20	30		FDEDRO
C[C@@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1cccc(S(N)(=O)=O)c1	ZINC001192868965	969324936	/nfs/dbraw/zinc/32/49/36/969324936.db2.gz	JZIOGIGBIDKCCK-CYBMUJFWSA-N	1	0	372.450	1.885	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)N2CCCCC2=O)C1	ZINC001192942539	969367449	/nfs/dbraw/zinc/36/74/49/969367449.db2.gz	DBZLAQPCTKTJSX-KZNAEPCWSA-N	1	0	365.518	1.685	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@H]1O	ZINC001192924821	969382600	/nfs/dbraw/zinc/38/26/00/969382600.db2.gz	PDQVTVJXTJPIRN-IPMKNSEASA-N	1	0	368.518	1.870	20	30		FDEDRO
C[NH+](C)CCOCc1ncn2c1CN(C(=O)c1cnccc1C#N)CCC2	ZINC001192971010	969410975	/nfs/dbraw/zinc/41/09/75/969410975.db2.gz	AQNSLIHVWWRGDL-UHFFFAOYSA-N	1	0	368.441	1.274	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)N1CCC2(C[C@@H]([N@H+](C)Cc3ccco3)CO2)CC1	ZINC001193118095	969482598	/nfs/dbraw/zinc/48/25/98/969482598.db2.gz	LHQRHGLOJLVCNI-HUUCEWRRSA-N	1	0	367.471	1.577	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)N1CCc2c(CN(C)Cc3ccco3)cncc2C1	ZINC001193123811	969490359	/nfs/dbraw/zinc/49/03/59/969490359.db2.gz	XTKGFKCHQZRQOL-CQSZACIVSA-N	1	0	374.466	1.907	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1	ZINC001193127695	969494180	/nfs/dbraw/zinc/49/41/80/969494180.db2.gz	UJODFFUYQUGIEY-CYGHRXIMSA-N	1	0	362.499	1.856	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)C2CCCC2)C1	ZINC001193165427	969522729	/nfs/dbraw/zinc/52/27/29/969522729.db2.gz	FIDWLRMNVKLAIJ-CGTJXYLNSA-N	1	0	367.534	1.813	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOC[C@@H]2CCCCO2)c[nH]1	ZINC001110455617	969530102	/nfs/dbraw/zinc/53/01/02/969530102.db2.gz	HVBGUENGYKYGJM-HCXYKTFWSA-N	1	0	372.469	1.807	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)n(C)n2)C1	ZINC001193241568	969570745	/nfs/dbraw/zinc/57/07/45/969570745.db2.gz	SONGMJCSWPFVJM-CYZMBNFOSA-N	1	0	360.380	1.569	20	30		FDEDRO
C[NH+]1CCN(c2ccc(NS(=O)(=O)C[C@@H]3CCCO3)cc2C#N)CC1	ZINC001193263992	969590443	/nfs/dbraw/zinc/59/04/43/969590443.db2.gz	GOSYAARHUORTLL-INIZCTEOSA-N	1	0	364.471	1.231	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1O)OCC	ZINC001193421834	969696921	/nfs/dbraw/zinc/69/69/21/969696921.db2.gz	JKUJCYWQKOKTTR-KURKYZTESA-N	1	0	354.491	1.336	20	30		FDEDRO
C[N@@H+]1CCC[C@H](NC(=O)c2cc(I)ccc2C#N)C1	ZINC001193591535	969753457	/nfs/dbraw/zinc/75/34/57/969753457.db2.gz	RYBGNRZUZUQNGR-LBPRGKRZSA-N	1	0	369.206	1.987	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cccc(OC)c2F)C1	ZINC001193551459	969756375	/nfs/dbraw/zinc/75/63/75/969756375.db2.gz	HGXIFDSUOQVMBR-HZPDHXFCSA-N	1	0	350.434	1.894	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3ccn(C)c3)n[nH]2)C1	ZINC001193628981	969775430	/nfs/dbraw/zinc/77/54/30/969775430.db2.gz	HXPFULNKNGYAFE-MORSLUCNSA-N	1	0	357.458	1.545	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C)cc3)C[C@H]2O)CCOCC1	ZINC001193629676	969776497	/nfs/dbraw/zinc/77/64/97/969776497.db2.gz	RRVWHEAOWNYQSG-RTBURBONSA-N	1	0	356.466	1.476	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3ncncc3C2)C1	ZINC001193670643	969802762	/nfs/dbraw/zinc/80/27/62/969802762.db2.gz	NFQQMDULZVMYGG-KFKAGJAMSA-N	1	0	360.502	1.713	20	30		FDEDRO
COCC#CCN1C[C@@H](O)[C@H](NC(=O)C2(Cc3ccccc3)CCC2)C1	ZINC001193842585	969867322	/nfs/dbraw/zinc/86/73/22/969867322.db2.gz	FIQXZKCSHUDEHL-RTBURBONSA-N	1	0	356.466	1.211	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(c2ccccc2C#N)CC1	ZINC000466761199	970058259	/nfs/dbraw/zinc/05/82/59/970058259.db2.gz	QCMMKNTUOMVANQ-YJBOKZPZSA-N	1	0	353.470	1.873	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCc2cccc(OC)c2)C1	ZINC001194351879	970119364	/nfs/dbraw/zinc/11/93/64/970119364.db2.gz	GFNUVNLSBKYULY-KFKAGJAMSA-N	1	0	362.470	1.728	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cccc(C(F)F)c2)C1	ZINC001194638031	970281308	/nfs/dbraw/zinc/28/13/08/970281308.db2.gz	DODOTLYGHFTOCP-HZPDHXFCSA-N	1	0	354.397	1.531	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccc(OC)c(F)c2)C1	ZINC001194651666	970287451	/nfs/dbraw/zinc/28/74/51/970287451.db2.gz	HKVZMSUBZPWWMH-IAGOWNOFSA-N	1	0	350.434	1.894	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N(CC)[C@@H]2CC[N@H+](CC)C2)c1	ZINC000855491002	970413108	/nfs/dbraw/zinc/41/31/08/970413108.db2.gz	UCOCEJCELBAWRV-MRXNPFEDSA-N	1	0	363.483	1.154	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)c3cccnc32)C1	ZINC001194873010	970488701	/nfs/dbraw/zinc/48/87/01/970488701.db2.gz	YWKQRXOMLSMOMY-IAOVAPTHSA-N	1	0	357.458	1.256	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2-c2ccoc2)C1	ZINC001194893091	970534831	/nfs/dbraw/zinc/53/48/31/970534831.db2.gz	ORMZISNZQYRKEN-KBRIMQKVSA-N	1	0	358.442	1.810	20	30		FDEDRO
CC(C)C[NH+]1CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC1	ZINC000101535446	970572642	/nfs/dbraw/zinc/57/26/42/970572642.db2.gz	HFLUAMLVZRALBA-HXUWFJFHSA-N	1	0	369.469	1.556	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@H]1CC1(Cl)Cl	ZINC001110465428	970657103	/nfs/dbraw/zinc/65/71/03/970657103.db2.gz	CFPYDLUDEMQSBC-DGAVXFQQSA-N	1	0	372.296	1.431	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCc2ccccc21	ZINC001110465827	970667027	/nfs/dbraw/zinc/66/70/27/970667027.db2.gz	VNPFCBGKQOQTCC-OWYHZJEWSA-N	1	0	351.450	1.535	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3ccnc3)nc2)C1	ZINC001195157699	970738863	/nfs/dbraw/zinc/73/88/63/970738863.db2.gz	KGPRNKUMNFMEAR-USXIJHARSA-N	1	0	355.442	1.397	20	30		FDEDRO
C#C[C@H]([NH2+][C@H](C)C(=O)N1CCN(c2ccccc2O)CC1)[C@H]1CCCO1	ZINC000775799875	972569081	/nfs/dbraw/zinc/56/90/81/972569081.db2.gz	NFWJCGNXLAXESW-JTDSTZFVSA-N	1	0	357.454	1.200	20	30		FDEDRO
C#C[C@H]([NH2+][C@@H](C)C(=O)N1CCN(c2ccccc2O)CC1)[C@@H]1CCCO1	ZINC000775799870	972569811	/nfs/dbraw/zinc/56/98/11/972569811.db2.gz	NFWJCGNXLAXESW-BXWFABGCSA-N	1	0	357.454	1.200	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cccc(NC(C)=O)c2)C1	ZINC001197983835	972654630	/nfs/dbraw/zinc/65/46/30/972654630.db2.gz	HOBOTQXZCSKVHI-NIKGAXFTSA-N	1	0	359.470	1.704	20	30		FDEDRO
CCCCCCCCC(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1O	ZINC001198068657	972759104	/nfs/dbraw/zinc/75/91/04/972759104.db2.gz	KRTYHWWRLAGEMY-QZTJIDSGSA-N	1	0	367.534	1.911	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](CCOCCC(C)C)C[C@H]1O	ZINC001198134153	972775255	/nfs/dbraw/zinc/77/52/55/972775255.db2.gz	NOYZHNKXNOZDTG-WOJBJXKFSA-N	1	0	358.482	1.434	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1	ZINC000119421375	972845599	/nfs/dbraw/zinc/84/55/99/972845599.db2.gz	VZAFCMXADDKNSV-YJBOKZPZSA-N	1	0	370.453	1.384	20	30		FDEDRO
C[C@@H]1CCC[C@H](C)[N@H+]1CC(N)=NOCC(=O)NCc1ccc(C#N)cc1	ZINC000794525520	972903138	/nfs/dbraw/zinc/90/31/38/972903138.db2.gz	DVCNEJMKKCBPQZ-GASCZTMLSA-N	1	0	357.458	1.936	20	30		FDEDRO
CC(C)(C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O)C(C)(F)F	ZINC001198193410	972908724	/nfs/dbraw/zinc/90/87/24/972908724.db2.gz	KGEYHGDDZMPXEF-HUUCEWRRSA-N	1	0	351.397	1.901	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C	ZINC000645114396	1014073110	/nfs/dbraw/zinc/07/31/10/1014073110.db2.gz	BSTFNCBLKMEEBU-HOTGVXAUSA-N	1	0	363.458	1.380	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]Cc2ccc(N3CCCC3=O)cc2)CCOCC1	ZINC000863546382	973001906	/nfs/dbraw/zinc/00/19/06/973001906.db2.gz	CLQVYGRYUYUCIE-GOSISDBHSA-N	1	0	357.454	1.974	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]CC[S@](=O)Cc1ccccc1	ZINC000863551084	973007567	/nfs/dbraw/zinc/00/75/67/973007567.db2.gz	CQZUBVJKYZARGK-CJAUYULYSA-N	1	0	358.463	1.836	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@H](C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)C1CC1	ZINC000863553637	973011155	/nfs/dbraw/zinc/01/11/55/973011155.db2.gz	GUHFVDMMCPZOCX-HZPDHXFCSA-N	1	0	367.490	1.951	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCCO[C@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1	ZINC000863557756	973014523	/nfs/dbraw/zinc/01/45/23/973014523.db2.gz	QUWUQXWZXWTNNC-LSDHHAIUSA-N	1	0	353.463	1.657	20	30		FDEDRO
COc1cc(OC)cc([C@@H](O)C[NH2+]C[C@H](O)COc2ccccc2C#N)c1	ZINC000863559158	973016096	/nfs/dbraw/zinc/01/60/96/973016096.db2.gz	IBJRVNKRMWRMGC-LPHOPBHVSA-N	1	0	372.421	1.638	20	30		FDEDRO
C#CC[C@@H](COC)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1	ZINC000863589512	973037096	/nfs/dbraw/zinc/03/70/96/973037096.db2.gz	QHTUEYRTSSRAJF-UONOGXRCSA-N	1	0	360.223	1.956	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)c2cccs2)C1	ZINC001198570582	973260529	/nfs/dbraw/zinc/26/05/29/973260529.db2.gz	CUDXQGKQTKCBIL-RBSFLKMASA-N	1	0	365.499	1.384	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c(cccc3OC)[nH]2)C1	ZINC001198639521	973344961	/nfs/dbraw/zinc/34/49/61/973344961.db2.gz	YOZAUZFFRMQVDK-IAGOWNOFSA-N	1	0	359.426	1.154	20	30		FDEDRO
C#CCC[NH2+][C@H](CNC(=O)[C@H]1C[C@@H](C)CC(=O)N1)c1ccccc1OC	ZINC001198732163	973433031	/nfs/dbraw/zinc/43/30/31/973433031.db2.gz	GYMKAESXHAIAIZ-DJIMGWMZSA-N	1	0	357.454	1.380	20	30		FDEDRO
CCN(CC)c1ccc(/C=[NH+]/C2CN(S(=O)(=O)N(C)C)C2)c(O)c1	ZINC000864346622	973506446	/nfs/dbraw/zinc/50/64/46/973506446.db2.gz	YAHONTGMWFBYFO-LICLKQGHSA-N	1	0	354.476	1.148	20	30		FDEDRO
C=CC[NH2+][C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)c1ccccc1OC	ZINC001198805519	973548907	/nfs/dbraw/zinc/54/89/07/973548907.db2.gz	AQPZYBIHYVPKMW-MFWIUYSUSA-N	1	0	360.454	1.680	20	30		FDEDRO
O=C(CC#Cc1ccccc1)N[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@H]1O	ZINC001198944535	973782717	/nfs/dbraw/zinc/78/27/17/973782717.db2.gz	HJGJPKMXJUGELY-VAMGGRTRSA-N	1	0	356.466	1.406	20	30		FDEDRO
C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1nccc(OCC2CCOCC2)n1	ZINC001199175850	973984528	/nfs/dbraw/zinc/98/45/28/973984528.db2.gz	OKNBOPUCPYQUJS-INIZCTEOSA-N	1	0	360.458	1.662	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000466773624	974006982	/nfs/dbraw/zinc/00/69/82/974006982.db2.gz	CHIDWDONJWKNID-CPUCHLNUSA-N	1	0	369.473	1.051	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cccc(OCC)c2)C1	ZINC001199245766	974067011	/nfs/dbraw/zinc/06/70/11/974067011.db2.gz	IXEFCCDTPYWCHE-RTBURBONSA-N	1	0	362.470	1.382	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N(C)CCC)cc2)C1	ZINC001199439120	974247579	/nfs/dbraw/zinc/24/75/79/974247579.db2.gz	KGHIEOZPMJLLNU-RTBURBONSA-N	1	0	361.486	1.510	20	30		FDEDRO
C#CCOC[C@H](O)C[NH2+][C@@H]1Cc2ccc(I)cc2C1	ZINC001251891127	974349271	/nfs/dbraw/zinc/34/92/71/974349271.db2.gz	MENFRABWNYJNCR-HUUCEWRRSA-N	1	0	371.218	1.359	20	30		FDEDRO
C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC[N@@H+]1C	ZINC000120744657	974491493	/nfs/dbraw/zinc/49/14/93/974491493.db2.gz	YFQCBXVSZJDFHZ-JSGCOSHPSA-N	1	0	362.405	1.608	20	30		FDEDRO
C#CC[N@H+](C)CCCNc1ccc(Br)cc1S(N)(=O)=O	ZINC000865834079	974524456	/nfs/dbraw/zinc/52/44/56/974524456.db2.gz	JTTJJMSXVDCYLZ-UHFFFAOYSA-N	1	0	360.277	1.464	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)Cc3ccco3)C[C@H]2C)CC1	ZINC000958103433	1014204269	/nfs/dbraw/zinc/20/42/69/1014204269.db2.gz	UBYIPKHZYWKLTA-CRAIPNDOSA-N	1	0	357.454	1.130	20	30		FDEDRO
Cn1c(NCC2(c3ccccc3)CC[NH+](C)CC2)c(C#N)c(=O)n(C)c1=O	ZINC000866014851	974622888	/nfs/dbraw/zinc/62/28/88/974622888.db2.gz	AHOZPBLYFQIRFJ-UHFFFAOYSA-N	1	0	367.453	1.031	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOc1cccc(OC)c1	ZINC001110547575	974671454	/nfs/dbraw/zinc/67/14/54/974671454.db2.gz	OJHJFVMYXYSVPK-FIYPYCPBSA-N	1	0	372.465	1.834	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCn1cncn1	ZINC001110551755	974752632	/nfs/dbraw/zinc/75/26/32/974752632.db2.gz	APFFQVYEPIDCEL-MLHJIOFPSA-N	1	0	359.474	1.208	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCOC2CCC2)C1	ZINC001200528511	974807402	/nfs/dbraw/zinc/80/74/02/974807402.db2.gz	LVOQOMPVTSKURS-QRVBRYPASA-N	1	0	366.502	1.744	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccncc2)CCCO1	ZINC001200528345	974807820	/nfs/dbraw/zinc/80/78/20/974807820.db2.gz	IYLGWBSJLPHQIZ-QRVBRYPASA-N	1	0	357.454	1.390	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COCC[C@@H]2c2ccccc2)CCCO1	ZINC001200528181	974807885	/nfs/dbraw/zinc/80/78/85/974807885.db2.gz	GIKVSABUGLZZDV-VAMGGRTRSA-N	1	0	356.466	1.647	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2CC(C)(C)C)CCCO1	ZINC001200549175	974817208	/nfs/dbraw/zinc/81/72/08/974817208.db2.gz	ZCNYJANZQYBSCK-YESZJQIVSA-N	1	0	363.502	1.015	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)CCCO1	ZINC001200937557	974941675	/nfs/dbraw/zinc/94/16/75/974941675.db2.gz	KKZDGIAMUKNPLS-ARFHVFGLSA-N	1	0	351.491	1.178	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCOCC2CCC2)C1	ZINC001201437921	975060521	/nfs/dbraw/zinc/06/05/21/975060521.db2.gz	IODWCWDXJMTVMO-QRVBRYPASA-N	1	0	366.502	1.601	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCC2CCOCC2)C1	ZINC001201438118	975060703	/nfs/dbraw/zinc/06/07/03/975060703.db2.gz	KAPRDVPQODKOTN-QRVBRYPASA-N	1	0	366.502	1.601	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@]2(C)c2ccccc2)CC1	ZINC001201701650	975123057	/nfs/dbraw/zinc/12/30/57/975123057.db2.gz	PDOVFSTXEZCIOV-GHTZIAJQSA-N	1	0	353.466	1.294	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1	ZINC000867404299	975149024	/nfs/dbraw/zinc/14/90/24/975149024.db2.gz	KWMMZCKAVZUXJT-RTBURBONSA-N	1	0	355.482	1.796	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)NCC2([NH+]3CCCC3)CCOCC2)c1	ZINC000866740359	975979817	/nfs/dbraw/zinc/97/98/17/975979817.db2.gz	RHJGKTSVOAXCKU-UHFFFAOYSA-N	1	0	367.446	1.621	20	30		FDEDRO
C=CC[C@H]1N(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](OCC)C2)CCCC1(C)C	ZINC000652731581	1014300566	/nfs/dbraw/zinc/30/05/66/1014300566.db2.gz	OHNXASIUALTUFS-BZUAXINKSA-N	1	0	351.491	1.402	20	30		FDEDRO
COCCC1(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC[NH2+]CC1	ZINC000866820778	976101395	/nfs/dbraw/zinc/10/13/95/976101395.db2.gz	NCBZLRMJJHHLAE-UHFFFAOYSA-N	1	0	357.863	1.649	20	30		FDEDRO
COCC[NH+]1CCC(OC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)CC1	ZINC000847881641	976112680	/nfs/dbraw/zinc/11/26/80/976112680.db2.gz	RFYBJPOHZQTHEL-UHFFFAOYSA-N	1	0	361.442	1.862	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1C(=O)CNC1=O	ZINC001110595406	976209549	/nfs/dbraw/zinc/20/95/49/976209549.db2.gz	OOZOERRUGXWEJA-ZACQAIPSSA-N	1	0	374.485	1.418	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N(CCOC)CC1CC[NH+](C)CC1	ZINC000867582783	976423980	/nfs/dbraw/zinc/42/39/80/976423980.db2.gz	YCNZCKXYOZWRJY-OAHLLOKOSA-N	1	0	360.524	1.003	20	30		FDEDRO
Cc1cc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c(C)n1-c1ccc(C#N)cc1	ZINC000848307687	976592620	/nfs/dbraw/zinc/59/26/20/976592620.db2.gz	JLKIXQRHESETPX-RBUKOAKNSA-N	1	0	364.449	1.857	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCN(C(=O)c2ccccc2)CC1	ZINC000867946051	977125384	/nfs/dbraw/zinc/12/53/84/977125384.db2.gz	LYSNMUMMQHUTME-HXUWFJFHSA-N	1	0	374.444	1.730	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1	ZINC000867949246	977130037	/nfs/dbraw/zinc/13/00/37/977130037.db2.gz	SDWBUBFTIOIVEJ-TZIWHRDSSA-N	1	0	374.444	1.835	20	30		FDEDRO
CCc1nn(C)c(CC)c1CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000867977600	977162173	/nfs/dbraw/zinc/16/21/73/977162173.db2.gz	LMVFTLNMYILMDV-LJQANCHMSA-N	1	0	351.454	1.920	20	30		FDEDRO
CN(C)C(NCc1cccc(CS(N)(=O)=O)c1)=[NH+]Cc1ccccc1	ZINC000849067262	977300583	/nfs/dbraw/zinc/30/05/83/977300583.db2.gz	RNPYGJHIMIVRGU-UHFFFAOYSA-N	1	0	360.483	1.683	20	30		FDEDRO
COc1ccc(N2CC[C@H]([NH2+][C@@H](C(N)=O)c3ccc(C#N)cc3)C2)cc1	ZINC000849322975	977425499	/nfs/dbraw/zinc/42/54/99/977425499.db2.gz	VSQRRXKXYOEBCB-QFBILLFUSA-N	1	0	350.422	1.962	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccn(CCC#N)n2)[C@H](c2cnn(C)c2)C1	ZINC000849549600	977731295	/nfs/dbraw/zinc/73/12/95/977731295.db2.gz	UBTPKEQVGFRAGT-IRXDYDNUSA-N	1	0	369.473	1.983	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1)C2	ZINC001110616851	978039522	/nfs/dbraw/zinc/03/95/22/978039522.db2.gz	TUTIZABCDXBFFI-VQHPVUNQSA-N	1	0	363.502	1.558	20	30		FDEDRO
C=CCCn1cc(C[NH2+]CC[C@@](O)(c2nccn2C)C(F)(F)F)nn1	ZINC000850070719	978140189	/nfs/dbraw/zinc/14/01/89/978140189.db2.gz	UXIKGACODMRLNA-CQSZACIVSA-N	1	0	358.368	1.518	20	30		FDEDRO
Cc1c(Br)cncc1C[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000850137537	978198565	/nfs/dbraw/zinc/19/85/65/978198565.db2.gz	QHCVBHVNUUUFQK-CCEZHUSRSA-N	1	0	365.231	1.769	20	30		FDEDRO
C#CCSCC[NH2+]Cc1cn(C)nc1CN1C(=O)c2ccccc2C1=O	ZINC000850153348	978211507	/nfs/dbraw/zinc/21/15/07/978211507.db2.gz	FVHJYGPTEDVVQE-UHFFFAOYSA-N	1	0	368.462	1.672	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1	ZINC000967954724	1014504880	/nfs/dbraw/zinc/50/48/80/1014504880.db2.gz	BCRWDRYKKIKZMC-SQNIBIBYSA-N	1	0	363.502	1.510	20	30		FDEDRO
C#CCCN(CCOC)C(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C	ZINC000850726499	978650573	/nfs/dbraw/zinc/65/05/73/978650573.db2.gz	OSJYJVWJQPIRET-KRWDZBQOSA-N	1	0	373.453	1.509	20	30		FDEDRO
C[NH2+]C[C@H](C)NC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1	ZINC000850727456	978650951	/nfs/dbraw/zinc/65/09/51/978650951.db2.gz	JYNPSJKVUBOSQW-PQXWDWFGSA-N	1	0	367.475	1.229	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CCO1	ZINC000850730356	978652938	/nfs/dbraw/zinc/65/29/38/978652938.db2.gz	YSFYNOJLLQCNOS-QGZVFWFLSA-N	1	0	374.441	1.097	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CCN1C1CC1	ZINC000850760299	978663542	/nfs/dbraw/zinc/66/35/42/978663542.db2.gz	XHMYYHIAXGUCSO-MSOLQXFVSA-N	1	0	355.442	1.552	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1	ZINC000850897662	978713685	/nfs/dbraw/zinc/71/36/85/978713685.db2.gz	AGARQSJOQBOLRS-AYOQOUSVSA-N	1	0	373.453	1.257	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(CC)C1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1	ZINC000967994123	1014529748	/nfs/dbraw/zinc/52/97/48/1014529748.db2.gz	MRVQRVCYYUUZTC-BZSNNMDCSA-N	1	0	363.502	1.511	20	30		FDEDRO
CC(C)[NH2+]CC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1	ZINC000851628446	978977914	/nfs/dbraw/zinc/97/79/14/978977914.db2.gz	DRHZNLAMBPPWAE-CYVLTUHYSA-N	1	0	352.460	1.436	20	30		FDEDRO
C#CCC1(O)CC[NH+]([C@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)CC1	ZINC000880483661	979224691	/nfs/dbraw/zinc/22/46/91/979224691.db2.gz	IOLYMDQDNPOCLB-YJBOKZPZSA-N	1	0	352.475	1.597	20	30		FDEDRO
C#C[C@@](C)(CC)[NH2+]CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1	ZINC000852101282	979351203	/nfs/dbraw/zinc/35/12/03/979351203.db2.gz	OWBJBQBVBYBADF-FQEVSTJZSA-N	1	0	357.454	1.167	20	30		FDEDRO
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC(CO)([NH2+]CC(C)C)CC1	ZINC000852124037	979367031	/nfs/dbraw/zinc/36/70/31/979367031.db2.gz	NMYKNQICRSUPGE-GOSISDBHSA-N	1	0	359.470	1.845	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NCC2CC[NH+](CCC)CC2)c1	ZINC000128636535	979443926	/nfs/dbraw/zinc/44/39/26/979443926.db2.gz	ZRFZFKVIKZVAOL-UHFFFAOYSA-N	1	0	357.454	1.875	20	30		FDEDRO
CN1c2ccccc2C(C)(C)/C1=C\C(=O)Cn1cc(CC[C@H](O)C[NH3+])nn1	ZINC000880983279	979562181	/nfs/dbraw/zinc/56/21/81/979562181.db2.gz	LZHNSELXBCDAMN-RPJLVFAOSA-N	1	0	369.469	1.411	20	30		FDEDRO
Cc1ccc(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1C#N	ZINC000881624134	980020914	/nfs/dbraw/zinc/02/09/14/980020914.db2.gz	GITATOWAFFSMLV-UHFFFAOYSA-N	1	0	354.454	1.813	20	30		FDEDRO
CC[N@@H+]1CC[C@H]1CNC(=O)COc1ccc(C#N)c(Br)c1	ZINC000882493951	980676776	/nfs/dbraw/zinc/67/67/76/980676776.db2.gz	LULFSKCPNHWVQQ-LBPRGKRZSA-N	1	0	352.232	1.910	20	30		FDEDRO
C#CCC1(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CCCCC1	ZINC000882635209	980772381	/nfs/dbraw/zinc/77/23/81/980772381.db2.gz	RNIIXJHIMHDRCC-IBGZPJMESA-N	1	0	361.530	1.873	20	30		FDEDRO
N#Cc1cnc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(Br)c1	ZINC000882636084	980773221	/nfs/dbraw/zinc/77/32/21/980773221.db2.gz	NUIYPEXDGPHBCQ-ZDUSSCGKSA-N	1	0	351.248	1.751	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNS(=O)(=O)c3ccc(C#N)nc3)cc2)CC1	ZINC000882664120	980803780	/nfs/dbraw/zinc/80/37/80/980803780.db2.gz	KXKVZYWLGWHDDT-UHFFFAOYSA-N	1	0	371.466	1.184	20	30		FDEDRO
C#CCCOc1ccc(C[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)cc1	ZINC000858223401	981925193	/nfs/dbraw/zinc/92/51/93/981925193.db2.gz	ZWUIBOAARQHVGO-OAQYLSRUSA-N	1	0	358.482	1.794	20	30		FDEDRO
C=C(C)C[C@@H](CO)NC(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000883112084	981954444	/nfs/dbraw/zinc/95/44/44/981954444.db2.gz	ZFPNPOXDENEAFX-FQEVSTJZSA-N	1	0	374.529	1.950	20	30		FDEDRO
Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CCC(C(=O)N(C)C)CC1	ZINC000131018792	981957402	/nfs/dbraw/zinc/95/74/02/981957402.db2.gz	PESUCCYJXQLHKG-UHFFFAOYSA-N	1	0	352.442	1.883	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)cc1C#N	ZINC000858307048	981977120	/nfs/dbraw/zinc/97/71/20/981977120.db2.gz	ZHWREUSMROHZPT-IBGZPJMESA-N	1	0	352.438	1.952	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N(C)C2(C[NH3+])CCCCC2)c1	ZINC000883476410	982188835	/nfs/dbraw/zinc/18/88/35/982188835.db2.gz	GVYZBJXCGHSQIQ-UHFFFAOYSA-N	1	0	365.499	1.885	20	30		FDEDRO
COc1cccc([C@H]2C[NH2+]CCN2C(=O)Nc2ccn(CCC#N)n2)c1	ZINC000883541805	982256727	/nfs/dbraw/zinc/25/67/27/982256727.db2.gz	SGFWVHBAAGUWME-MRXNPFEDSA-N	1	0	354.414	1.984	20	30		FDEDRO
C=CCOCCCNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1	ZINC000883723008	982417059	/nfs/dbraw/zinc/41/70/59/982417059.db2.gz	LBHILYNAROQHNY-UHFFFAOYSA-N	1	0	352.479	1.095	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1	ZINC000859019958	982461035	/nfs/dbraw/zinc/46/10/35/982461035.db2.gz	BVNFDTRNMVNUPN-IBGZPJMESA-N	1	0	365.518	1.949	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCC[C@@H]([NH2+]C3CCOCC3)C1)C2	ZINC000883805595	982484627	/nfs/dbraw/zinc/48/46/27/982484627.db2.gz	LSMBQBZDRNQWKY-UXHICEINSA-N	1	0	368.481	1.968	20	30		FDEDRO
CC(C)(C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)c1ccc(C#N)cc1	ZINC000859086992	982517643	/nfs/dbraw/zinc/51/76/43/982517643.db2.gz	SKIAVEOYRSJRDY-GOSISDBHSA-N	1	0	368.481	1.777	20	30		FDEDRO
N#CC1(C[C@H](O)CN2CCOC[C@H]2C[C@H](O)c2ccccc2)CCOCC1	ZINC000859165277	982589870	/nfs/dbraw/zinc/58/98/70/982589870.db2.gz	GLVJCASKUOUXGG-AABGKKOBSA-N	1	0	374.481	1.882	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000133479360	982701796	/nfs/dbraw/zinc/70/17/96/982701796.db2.gz	WIPAKBVFOPXQJE-CABCVRRESA-N	1	0	374.416	1.752	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)OCCC[NH+](CC)CC)cc1	ZINC000800126716	982754092	/nfs/dbraw/zinc/75/40/92/982754092.db2.gz	UWRRFQFVHYDSBR-UHFFFAOYSA-N	1	0	352.456	1.487	20	30		FDEDRO
CCN(C[C@@H]1COc2ccccc2O1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884053864	982772584	/nfs/dbraw/zinc/77/25/84/982772584.db2.gz	JJBVLCFGJHMZLP-KMFGOTIKSA-N	1	0	355.438	1.814	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCN(C(=O)c3cccc(F)c3)CC1)C2	ZINC000884071712	982818711	/nfs/dbraw/zinc/81/87/11/982818711.db2.gz	DFACSZCCXNCYFR-LFDOHDQPSA-N	1	0	370.428	1.249	20	30		FDEDRO
CCN(CC)C(=O)C1(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CCCCC1	ZINC000884099700	982865183	/nfs/dbraw/zinc/86/51/83/982865183.db2.gz	XBHSECNVFYGVBD-WUJZJPHMSA-N	1	0	360.502	1.813	20	30		FDEDRO
Cc1cccc(C)c1OC[C@@H](O)CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884104528	982872191	/nfs/dbraw/zinc/87/21/91/982872191.db2.gz	OLZQFWKGYPPWOP-ASPXRTSYSA-N	1	0	357.454	1.299	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CCN(C(=O)c3ccccc3)C2)CC1	ZINC000859524831	982894952	/nfs/dbraw/zinc/89/49/52/982894952.db2.gz	KATHZTQRCVSTCL-SFHVURJKSA-N	1	0	353.466	1.753	20	30		FDEDRO
CN(C)C(=O)Nc1cccc(CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c1	ZINC000884153842	982932220	/nfs/dbraw/zinc/93/22/20/982932220.db2.gz	SZSUWZPJWVCKMT-HVEKOLDVSA-N	1	0	355.442	1.536	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C(=O)N1c1ccccc1	ZINC000884157086	982934573	/nfs/dbraw/zinc/93/45/73/982934573.db2.gz	SDGXCHAUJGQQPA-PJBLAQMNSA-N	1	0	352.438	1.436	20	30		FDEDRO
Cc1ccc([C@@H](O)CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)cc1	ZINC000133890919	982949621	/nfs/dbraw/zinc/94/96/21/982949621.db2.gz	HKLBUIHAHMNFQE-IRXDYDNUSA-N	1	0	374.485	1.909	20	30		FDEDRO
CCN(CC[NH3+])C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1	ZINC000859634906	982951474	/nfs/dbraw/zinc/95/14/74/982951474.db2.gz	LSYVWWVATIZBMB-XDJHFCHBSA-N	1	0	367.475	1.312	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCN(CCc3cccs3)CC1)C2	ZINC000884192158	982967900	/nfs/dbraw/zinc/96/79/00/982967900.db2.gz	XJHSBFJSPNHCCI-WUJZJPHMSA-N	1	0	358.511	1.574	20	30		FDEDRO
Cc1nc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(C#N)[nH]2)C3)n1	ZINC001095327803	982968608	/nfs/dbraw/zinc/96/86/08/982968608.db2.gz	HBSPKBNXHTXPTP-PVAVHDDUSA-N	1	0	353.430	1.130	20	30		FDEDRO
C[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)N1CCc2sccc2C1	ZINC000884193778	982969718	/nfs/dbraw/zinc/96/97/18/982969718.db2.gz	OYMXQCGGXBFHQU-DOHUUOFWSA-N	1	0	358.511	1.750	20	30		FDEDRO
COc1ccc(N2CCCN(C(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CC2)cc1	ZINC000884197809	982973718	/nfs/dbraw/zinc/97/37/18/982973718.db2.gz	FKRIFIIFRQYBSF-BATSVXPKSA-N	1	0	368.481	1.873	20	30		FDEDRO
COc1ccccc1N1CCC(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1	ZINC000884204126	982979213	/nfs/dbraw/zinc/97/92/13/982979213.db2.gz	OENASGSOXWWSRP-TZQQIIETSA-N	1	0	368.481	1.920	20	30		FDEDRO
CC(C)[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1nnc2ccccn21	ZINC000884208956	982985146	/nfs/dbraw/zinc/98/51/46/982985146.db2.gz	NRJWYYIFJWYGNF-XLMXBGDPSA-N	1	0	352.442	1.682	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCN(C(=O)[C@H](C#N)Cc3ccc(C#N)cc3)CC2)CCO1	ZINC000332062687	982987191	/nfs/dbraw/zinc/98/71/91/982987191.db2.gz	QFILJWGEIZWDLD-LPHOPBHVSA-N	1	0	366.465	1.952	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000332073689	982989878	/nfs/dbraw/zinc/98/98/78/982989878.db2.gz	DSZHRMCWMAHHAV-FUHIMQAGSA-N	1	0	369.513	1.843	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000884223392	982997335	/nfs/dbraw/zinc/99/73/35/982997335.db2.gz	PKDRKMRPTQGKBI-SZMVWBNQSA-N	1	0	359.470	1.460	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1	ZINC000884232958	983007630	/nfs/dbraw/zinc/00/76/30/983007630.db2.gz	DWABTDUMDODGRF-KRWDZBQOSA-N	1	0	360.458	1.214	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CC(=O)N1	ZINC000332517146	983066683	/nfs/dbraw/zinc/06/66/83/983066683.db2.gz	HYDYNEKGQKMTNM-DOTOQJQBSA-N	1	0	354.454	1.576	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCCN(C3CCCCC3)C1=O)C2	ZINC000884321214	983083136	/nfs/dbraw/zinc/08/31/36/983083136.db2.gz	IXULERJUXSYBKC-RHELOZEPSA-N	1	0	358.486	1.566	20	30		FDEDRO
Cc1c(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)nnn1Cc1ccccc1F	ZINC000884334943	983094235	/nfs/dbraw/zinc/09/42/35/983094235.db2.gz	GJKBMSYAZOESMX-HVEKOLDVSA-N	1	0	368.416	1.852	20	30		FDEDRO
C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884335233	983094251	/nfs/dbraw/zinc/09/42/51/983094251.db2.gz	NRXOFOWWEWMWFF-XTIMDLJNSA-N	1	0	368.481	1.804	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000884450290	983162371	/nfs/dbraw/zinc/16/23/71/983162371.db2.gz	DKBYOJMIJUZIEJ-NXHRZFHOSA-N	1	0	359.470	1.317	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H]1C[C@H](S(=O)(=O)c3ccccc3)C1)C2	ZINC000884466819	983171942	/nfs/dbraw/zinc/17/19/42/983171942.db2.gz	IDJPQRPIZUGCRE-ADJQQYAASA-N	1	0	373.478	1.247	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CCO2)cc1	ZINC000884471962	983173828	/nfs/dbraw/zinc/17/38/28/983173828.db2.gz	LEKMCBKZUBLRBV-OUBFZGACSA-N	1	0	355.438	1.734	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1)c1ccc(C#N)cc1	ZINC000884541644	983232905	/nfs/dbraw/zinc/23/29/05/983232905.db2.gz	KCXYYEVYKMNPKB-VLIAUNLRSA-N	1	0	356.470	1.959	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1cccc(C#N)c1	ZINC000884617778	983279573	/nfs/dbraw/zinc/27/95/73/983279573.db2.gz	SIEBIWDWPGFEBN-BPNCWPANSA-N	1	0	368.359	1.331	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccc(C)cc1)C2	ZINC001110788954	983541962	/nfs/dbraw/zinc/54/19/62/983541962.db2.gz	DMGGBNMXZZVJLL-NBYUQASBSA-N	1	0	367.493	1.787	20	30		FDEDRO
N#Cc1ccc(C2(C(=O)NC[C@@H]3C[N@@H+]4CCN3CCC4)CCCC2)cc1	ZINC000861550826	983776243	/nfs/dbraw/zinc/77/62/43/983776243.db2.gz	WULAGPBXKMOVGX-LJQANCHMSA-N	1	0	352.482	1.876	20	30		FDEDRO
C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	ZINC000861752615	983900447	/nfs/dbraw/zinc/90/04/47/983900447.db2.gz	GTYCPDNDUQLBRG-BLLLJJGKSA-N	1	0	368.462	1.770	20	30		FDEDRO
O=C(N[C@H]1CCCN(O)C1=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2	ZINC000861827327	983942936	/nfs/dbraw/zinc/94/29/36/983942936.db2.gz	IBDGKFCGGGSPFN-IRXDYDNUSA-N	1	0	357.454	1.785	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c1	ZINC000862069102	984091270	/nfs/dbraw/zinc/09/12/70/984091270.db2.gz	JEWWXTOAPGRFAU-UHFFFAOYSA-N	1	0	355.438	1.320	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1	ZINC000862092532	984105729	/nfs/dbraw/zinc/10/57/29/984105729.db2.gz	WWRDJHFCKQSIMN-OAHLLOKOSA-N	1	0	374.416	1.800	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C	ZINC000862193099	984228446	/nfs/dbraw/zinc/22/84/46/984228446.db2.gz	UHWCXLCUWGWVRV-PBHICJAKSA-N	1	0	373.453	1.555	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH2+]Cc1cnc2c(C#N)cnn2c1	ZINC000862513994	984402404	/nfs/dbraw/zinc/40/24/04/984402404.db2.gz	XXFWGMXCQQHWQP-HNNXBMFYSA-N	1	0	372.429	1.326	20	30		FDEDRO
N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1	ZINC000923688515	984647486	/nfs/dbraw/zinc/64/74/86/984647486.db2.gz	VMTBPSJANNIYAK-LBPRGKRZSA-N	1	0	369.874	1.730	20	30		FDEDRO
N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1	ZINC000923688510	984647639	/nfs/dbraw/zinc/64/76/39/984647639.db2.gz	VMTBPSJANNIYAK-GFCCVEGCSA-N	1	0	369.874	1.730	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1	ZINC000884855470	984892150	/nfs/dbraw/zinc/89/21/50/984892150.db2.gz	HLKSBZRVEBMTPF-IRXDYDNUSA-N	1	0	365.518	1.840	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)NC1CC[NH+]([C@@H]3CCC[C@H]3O)CC1)C2	ZINC000869188382	984932093	/nfs/dbraw/zinc/93/20/93/984932093.db2.gz	HNLOWLSDMPQRGW-VAMGGRTRSA-N	1	0	368.481	1.702	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NCC[C@H]([NH3+])Cc1ccccc1	ZINC000884893997	984939936	/nfs/dbraw/zinc/93/99/36/984939936.db2.gz	MIWUZGQWMQHXCZ-IBGZPJMESA-N	1	0	364.449	1.593	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2ccc(CCC#N)cc2)C[C@H]1[NH+](C)C	ZINC000885078453	985160421	/nfs/dbraw/zinc/16/04/21/985160421.db2.gz	IGJIDPFWIZEMCV-CVEARBPZSA-N	1	0	353.513	1.809	20	30		FDEDRO
C#CCN(CC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)C(=O)OC(C)(C)C	ZINC000885890883	985762045	/nfs/dbraw/zinc/76/20/45/985762045.db2.gz	LAJQYMNNJJWPMD-MRXNPFEDSA-N	1	0	365.474	1.226	20	30		FDEDRO
CCN(CC)C(=O)CN1CCC[N@H+](C[C@H](O)CC2(C#N)CCC2)CC1	ZINC000885951656	985797060	/nfs/dbraw/zinc/79/70/60/985797060.db2.gz	NCHXJXQHLABTJP-QGZVFWFLSA-N	1	0	350.507	1.307	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)C1	ZINC000870211946	985805476	/nfs/dbraw/zinc/80/54/76/985805476.db2.gz	GRVNNBXSLYSNHE-KRWDZBQOSA-N	1	0	364.425	1.269	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCOC4(CCOCC4)C3)C2=O)cc1	ZINC000886089710	985870658	/nfs/dbraw/zinc/87/06/58/985870658.db2.gz	IAQXMIVVFQVFEU-RTBURBONSA-N	1	0	369.465	1.977	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCn2ncc(I)c2C1	ZINC000886197296	985956744	/nfs/dbraw/zinc/95/67/44/985956744.db2.gz	UBFXKAASJDVXHV-UHFFFAOYSA-N	1	0	374.226	1.338	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@H+](CCN2CCOCC2)[C@@H]2CCSC2)CCC1	ZINC000886274190	986017451	/nfs/dbraw/zinc/01/74/51/986017451.db2.gz	NYXBSWOYEKQHJO-SJORKVTESA-N	1	0	353.532	1.571	20	30		FDEDRO
C#CC[C@@H]1CC[N@@H+](CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)OC)C1	ZINC000886356355	986095140	/nfs/dbraw/zinc/09/51/40/986095140.db2.gz	YKHXADXUARUBHL-DNVCBOLYSA-N	1	0	367.449	1.713	20	30		FDEDRO
CC[C@H](C[NH+](C)C)OC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21	ZINC000870550082	986114627	/nfs/dbraw/zinc/11/46/27/986114627.db2.gz	LSWUCBMABLAMRM-CHWSQXEVSA-N	1	0	367.471	1.387	20	30		FDEDRO
CC[C@@H](C[NH+](C)C)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000870551327	986117290	/nfs/dbraw/zinc/11/72/90/986117290.db2.gz	XMMSIHXWVFWIRN-JSGCOSHPSA-N	1	0	353.444	1.108	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@@H+](CC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000886413811	986177390	/nfs/dbraw/zinc/17/73/90/986177390.db2.gz	DWDOXBZWPIXSLG-CYBMUJFWSA-N	1	0	354.451	1.330	20	30		FDEDRO
CN(CCC[N@H+](C)Cc1ccncc1)S(=O)(=O)c1cncc(C#N)c1	ZINC000886425023	986200628	/nfs/dbraw/zinc/20/06/28/986200628.db2.gz	OTQHOJFDTULOCT-UHFFFAOYSA-N	1	0	359.455	1.491	20	30		FDEDRO
C#CCN(C[C@@H](O)C[NH+]1CCCC1)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886427365	986203313	/nfs/dbraw/zinc/20/33/13/986203313.db2.gz	IEXPREVYCPKKBA-SFHVURJKSA-N	1	0	365.518	1.778	20	30		FDEDRO
CN1CCN(c2cc[nH+]c(NC(=O)[C@H](O)c3ccc(C#N)cc3)c2)CC1	ZINC000870666664	986211762	/nfs/dbraw/zinc/21/17/62/986211762.db2.gz	JCDXEKDMBOGIJS-GOSISDBHSA-N	1	0	351.410	1.377	20	30		FDEDRO
C#CCN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)C1CC[NH+](C)CC1	ZINC000886571501	986371121	/nfs/dbraw/zinc/37/11/21/986371121.db2.gz	YDKOJMTXIJJTRU-HNNXBMFYSA-N	1	0	353.463	1.082	20	30		FDEDRO
C#CCN(C(=O)c1ccc2c(c1)N[C@@H](C)CC(=O)N2)C1CC[NH+](C)CC1	ZINC000886572547	986372695	/nfs/dbraw/zinc/37/26/95/986372695.db2.gz	PPRSHVAMYZMFJZ-AWEZNQCLSA-N	1	0	354.454	1.999	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)C1CC[NH+](C)CC1	ZINC000886587453	986392455	/nfs/dbraw/zinc/39/24/55/986392455.db2.gz	WZPPXBPFWCBDRM-OAHLLOKOSA-N	1	0	357.429	1.735	20	30		FDEDRO
Cn1ccn2c(CC[NH2+][C@@H]3CCCCc4cc(C#N)ccc43)nnc2c1=O	ZINC000886698346	986482686	/nfs/dbraw/zinc/48/26/86/986482686.db2.gz	DDJCEEWVQHUSBC-QGZVFWFLSA-N	1	0	362.437	1.899	20	30		FDEDRO
C=CCC[C@@H]([NH2+]Cc1nnc2c(=O)[nH]ccn12)[C@H]1Cc2ccccc2O1	ZINC000886705926	986489962	/nfs/dbraw/zinc/48/99/62/986489962.db2.gz	FLNSYPZOJUJPPC-GDBMZVCRSA-N	1	0	351.410	1.846	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2C1=O	ZINC000870974495	986551739	/nfs/dbraw/zinc/55/17/39/986551739.db2.gz	MHZOHMBVHCJBRE-YOWGUQMCSA-N	1	0	353.422	1.729	20	30		FDEDRO
C=CCC1(O)CC[NH+]([C@@H](C)C(=O)NC[C@H]2COc3ccccc3O2)CC1	ZINC000886771217	986575882	/nfs/dbraw/zinc/57/58/82/986575882.db2.gz	DVZXHCCKYHKWDZ-HOTGVXAUSA-N	1	0	360.454	1.734	20	30		FDEDRO
C=CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H]2[C@@H](CC[N@H+]2C)C1	ZINC000871060282	986630912	/nfs/dbraw/zinc/63/09/12/986630912.db2.gz	MLZXVFVVGAHJBC-IRXDYDNUSA-N	1	0	355.490	1.856	20	30		FDEDRO
NC(=NOCc1nc(C2CC2)no1)c1ccccc1C[NH+]1CCC(O)CC1	ZINC000123493659	986696922	/nfs/dbraw/zinc/69/69/22/986696922.db2.gz	DKABXCSHQFTIRM-UHFFFAOYSA-N	1	0	371.441	1.741	20	30		FDEDRO
C[NH+](C)CCn1ccc(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)n1	ZINC000871178572	986758743	/nfs/dbraw/zinc/75/87/43/986758743.db2.gz	DOBONFJKKHHDDB-UHFFFAOYSA-N	1	0	363.425	1.813	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)Nc2cc(CC#N)ccn2)CC1	ZINC000871723937	987209082	/nfs/dbraw/zinc/20/90/82/987209082.db2.gz	SFDYYOKQMINZLJ-UHFFFAOYSA-N	1	0	365.441	1.616	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(Cc2nc(C[C@@H](C)[NH2+]C)no2)s1	ZINC000871788380	987242207	/nfs/dbraw/zinc/24/22/07/987242207.db2.gz	JQMBNGJIVRTFMH-SNVBAGLBSA-N	1	0	356.473	1.337	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)ccc1Cl	ZINC000871812694	987263713	/nfs/dbraw/zinc/26/37/13/987263713.db2.gz	BOQALFWOXMSDJR-KOLCDFICSA-N	1	0	367.780	1.969	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N[C@@]12CCC[C@H]1[NH2+]CC2	ZINC000871820659	987275697	/nfs/dbraw/zinc/27/56/97/987275697.db2.gz	SRJQXMVDGNUQEC-ZIAGYGMSSA-N	1	0	370.272	1.884	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2Cc3ccc(C#N)cc3C2)cc1	ZINC000872240080	987536913	/nfs/dbraw/zinc/53/69/13/987536913.db2.gz	VPDRYAMWKSDWAJ-SFHVURJKSA-N	1	0	351.431	1.961	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)NCCN1CCC([NH+](C)C)CC1	ZINC000872460025	987682981	/nfs/dbraw/zinc/68/29/81/987682981.db2.gz	ZUVNYFCCFZDSQO-UHFFFAOYSA-N	1	0	350.488	1.171	20	30		FDEDRO
C#CCNC(=O)c1ccc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)nc1	ZINC000292909275	987929581	/nfs/dbraw/zinc/92/95/81/987929581.db2.gz	XHGFXGWWJZVEPR-JWTNVVGKSA-N	1	0	356.470	1.523	20	30		FDEDRO
CCCC[N@H+](C)CC1CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)CC1	ZINC000293194625	987988753	/nfs/dbraw/zinc/98/87/53/987988753.db2.gz	VXKNZYNKFPAIAH-UHFFFAOYSA-N	1	0	357.458	1.862	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccnn1-c1ccc(Cl)cc1	ZINC000293250052	988005221	/nfs/dbraw/zinc/00/52/21/988005221.db2.gz	DKSALCQJUQZJJB-UHFFFAOYSA-N	1	0	373.844	1.536	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(OC)c1	ZINC000360585712	988081857	/nfs/dbraw/zinc/08/18/57/988081857.db2.gz	SFDMNRHXTUYPKP-ROUUACIJSA-N	1	0	374.481	1.860	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(OC)c1	ZINC000360585717	988082745	/nfs/dbraw/zinc/08/27/45/988082745.db2.gz	SFDMNRHXTUYPKP-ZWKOTPCHSA-N	1	0	374.481	1.860	20	30		FDEDRO
N#Cc1ccc(CNC(=O)CN2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)cc1	ZINC000360889710	988193042	/nfs/dbraw/zinc/19/30/42/988193042.db2.gz	OSHVJQGIMAFXHQ-MOPGFXCFSA-N	1	0	356.470	1.096	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCCN(C(=O)[C@H]3CCCO3)CC2)CC1	ZINC000360972421	988231704	/nfs/dbraw/zinc/23/17/04/988231704.db2.gz	MFMVPRICGLOUQN-QGZVFWFLSA-N	1	0	364.490	1.060	20	30		FDEDRO
CC(=O)N1CCC[C@@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1	ZINC000361069280	988265013	/nfs/dbraw/zinc/26/50/13/988265013.db2.gz	SNBHQMUREOJLTG-LJQANCHMSA-N	1	0	368.481	1.919	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)CC2)cn1	ZINC000872986837	988379094	/nfs/dbraw/zinc/37/90/94/988379094.db2.gz	BXDMYDPYPPNTLA-IBGZPJMESA-N	1	0	368.485	1.802	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CC[NH+]1CCC(c2ccnn2CCO)CC1	ZINC000361581385	988420547	/nfs/dbraw/zinc/42/05/47/988420547.db2.gz	IOLKDZNFHMTGBF-UHFFFAOYSA-N	1	0	367.453	1.955	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000361629175	988429195	/nfs/dbraw/zinc/42/91/95/988429195.db2.gz	IJESXCMNVWUPQU-SJORKVTESA-N	1	0	370.453	1.284	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)c1cc(C#N)cc(N(C)C)c1)[NH+]1CCN(C)CC1	ZINC000294607073	988494945	/nfs/dbraw/zinc/49/49/45/988494945.db2.gz	DOINFRXHJNMJLX-LJQANCHMSA-N	1	0	357.502	1.626	20	30		FDEDRO
CO[C@@H]1COCC[C@@H]1CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000294770519	988536560	/nfs/dbraw/zinc/53/65/60/988536560.db2.gz	QWFDFMCJJCNAFR-RTBURBONSA-N	1	0	359.470	1.890	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c(F)c1	ZINC000873106149	988562994	/nfs/dbraw/zinc/56/29/94/988562994.db2.gz	FEPLLPIJSGYOJH-NXEZZACHSA-N	1	0	358.295	1.231	20	30		FDEDRO
C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC(n2cnc(C#N)n2)CC1	ZINC000366331604	988626423	/nfs/dbraw/zinc/62/64/23/988626423.db2.gz	VHSWFPLOXGSSIU-XHSDSOJGSA-N	1	0	373.505	1.863	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)CCOCC1	ZINC000362712789	988714765	/nfs/dbraw/zinc/71/47/65/988714765.db2.gz	XMPILTJKSZGOIE-GOSISDBHSA-N	1	0	372.469	1.752	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)Nc3ccc4c(c3)C[NH2+]CC4)CC2)cn1	ZINC000873328742	988716399	/nfs/dbraw/zinc/71/63/99/988716399.db2.gz	TZGSDFQOSCQDQZ-UHFFFAOYSA-N	1	0	362.437	1.953	20	30		FDEDRO
C=CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccnc(C)n2)CC1	ZINC000295822663	988779792	/nfs/dbraw/zinc/77/97/92/988779792.db2.gz	BXNKSWOGVIOKDQ-OAHLLOKOSA-N	1	0	355.446	1.741	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)N1CCCN(CC(=O)NC)CC1	ZINC000363143881	988949847	/nfs/dbraw/zinc/94/98/47/988949847.db2.gz	MWLUXHGOYIYOHW-UHFFFAOYSA-N	1	0	359.430	1.243	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1C#N	ZINC000873688299	988994333	/nfs/dbraw/zinc/99/43/33/988994333.db2.gz	NXFGVYLGYYQJKX-UONOGXRCSA-N	1	0	358.442	1.742	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCN3CCOC[C@@H]3C2)c(OC)c1	ZINC000368813308	989009413	/nfs/dbraw/zinc/00/94/13/989009413.db2.gz	FJTBXXBTRNGESO-ROUUACIJSA-N	1	0	362.470	1.180	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)NC2CCCCC2)C1	ZINC000368802888	989009675	/nfs/dbraw/zinc/00/96/75/989009675.db2.gz	UAZAUDOQKYRMES-HUUCEWRRSA-N	1	0	364.490	1.548	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2cn(-c3cccc(OC)c3)nn2)CC1	ZINC000368999605	989020188	/nfs/dbraw/zinc/02/01/88/989020188.db2.gz	BQEUQSZLSWSLFV-UHFFFAOYSA-N	1	0	353.426	1.237	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC[C@H]3OCC[C@H]3C2)CC1	ZINC000369674898	989082278	/nfs/dbraw/zinc/08/22/78/989082278.db2.gz	ATIFVVAIXOENOZ-GVDBMIGSSA-N	1	0	374.510	1.568	20	30		FDEDRO
C#Cc1ccc(CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1	ZINC000296277633	989091537	/nfs/dbraw/zinc/09/15/37/989091537.db2.gz	CTJQREGFWZMLQA-GOSISDBHSA-N	1	0	356.470	1.410	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1C#N	ZINC000873744221	989103224	/nfs/dbraw/zinc/10/32/24/989103224.db2.gz	NLTNQWPVFINMKH-HNNXBMFYSA-N	1	0	370.453	1.696	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1	ZINC000296339967	989131353	/nfs/dbraw/zinc/13/13/53/989131353.db2.gz	UHUOUWQTUGHCBK-CQSZACIVSA-N	1	0	373.428	1.719	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)CC1	ZINC000369756836	989148872	/nfs/dbraw/zinc/14/88/72/989148872.db2.gz	IEFUIWCHCBOWSO-OAQYLSRUSA-N	1	0	369.509	1.788	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1C#N	ZINC000369802405	989192029	/nfs/dbraw/zinc/19/20/29/989192029.db2.gz	CLTGQNQXWIFXJO-LESCRADOSA-N	1	0	352.438	1.748	20	30		FDEDRO
C[C@@]1(C2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)NC(=O)NC1=O	ZINC000363498932	989249144	/nfs/dbraw/zinc/24/91/44/989249144.db2.gz	KMNFTMJJNCXVIP-IBGZPJMESA-N	1	0	369.425	1.197	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(CC(=O)NCc2cccc(C#N)c2)CC1	ZINC000363509916	989256522	/nfs/dbraw/zinc/25/65/22/989256522.db2.gz	DKRCOSJJPKOJRQ-HXUWFJFHSA-N	1	0	369.513	1.276	20	30		FDEDRO
C=CCN(C[C@@H](O)CN1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000363512527	989259200	/nfs/dbraw/zinc/25/92/00/989259200.db2.gz	VPAIHYWXIFFPGQ-RTWAWAEBSA-N	1	0	359.514	1.442	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCCN(c2cc(CC)ncn2)C1	ZINC000296728365	989387160	/nfs/dbraw/zinc/38/71/60/989387160.db2.gz	CQMADRDFYQPVGU-KRWDZBQOSA-N	1	0	358.490	1.262	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccc3c(c2)NC(=O)CCN3C)CC1	ZINC000370016555	989388278	/nfs/dbraw/zinc/38/82/78/989388278.db2.gz	HRFBOKSSDKPSRI-UHFFFAOYSA-N	1	0	354.454	1.683	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCC(=O)NCc1cccc(C#N)c1	ZINC000363706416	989401508	/nfs/dbraw/zinc/40/15/08/989401508.db2.gz	NEIGDAAHXOYMOY-UXPWSPDFSA-N	1	0	370.497	1.653	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1C#N	ZINC000873956287	989526303	/nfs/dbraw/zinc/52/63/03/989526303.db2.gz	KJKCZLXKDOLDKV-INIZCTEOSA-N	1	0	356.426	1.638	20	30		FDEDRO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCC[C@H]3COC[C@H]32)CC1	ZINC000370224861	989563666	/nfs/dbraw/zinc/56/36/66/989563666.db2.gz	NMPNQBACBJDJJF-YESZJQIVSA-N	1	0	374.510	1.568	20	30		FDEDRO
CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N(C)C[C@H](C)C#N	ZINC000297722749	989658665	/nfs/dbraw/zinc/65/86/65/989658665.db2.gz	JTIDCNNRQROQPN-IEBWSBKVSA-N	1	0	370.497	1.975	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)COc3ccc(C#N)cc3)C2)CC1	ZINC000370422083	989730719	/nfs/dbraw/zinc/73/07/19/989730719.db2.gz	HFWSZISXGBDWKB-GOSISDBHSA-N	1	0	356.470	1.564	20	30		FDEDRO
C[C@H](C#N)CN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000297991315	989823058	/nfs/dbraw/zinc/82/30/58/989823058.db2.gz	VDSIMCXLVBBWBT-OAHLLOKOSA-N	1	0	355.442	1.067	20	30		FDEDRO
C[C@H](C#N)CN(C)C(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000298045512	989859558	/nfs/dbraw/zinc/85/95/58/989859558.db2.gz	PMUMPJOYKOTNOU-IAGOWNOFSA-N	1	0	356.470	1.727	20	30		FDEDRO
C[C@@H](CO)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1	ZINC000364976490	989929124	/nfs/dbraw/zinc/92/91/24/989929124.db2.gz	CKMGWAVHKWGXRT-HNNXBMFYSA-N	1	0	372.469	1.341	20	30		FDEDRO
Cc1oc(NC(=O)CN2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)c(C#N)c1C	ZINC000370816367	990008513	/nfs/dbraw/zinc/00/85/13/990008513.db2.gz	KLKKLRHAHPNCNJ-HOTGVXAUSA-N	1	0	360.458	1.628	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)n1	ZINC000365112698	990034968	/nfs/dbraw/zinc/03/49/68/990034968.db2.gz	UIPRECDRBDCGBE-QGZVFWFLSA-N	1	0	373.501	1.691	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1	ZINC000365191121	990092363	/nfs/dbraw/zinc/09/23/63/990092363.db2.gz	QSJSBXGTXQYYJB-VVFCZOMOSA-N	1	0	360.433	1.695	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)cc1	ZINC000370900973	990107309	/nfs/dbraw/zinc/10/73/09/990107309.db2.gz	UWHSNTMVBHFHOM-ROUUACIJSA-N	1	0	357.454	1.775	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000874368169	990194595	/nfs/dbraw/zinc/19/45/95/990194595.db2.gz	NYTCPMTWRZATFD-GJZGRUSLSA-N	1	0	360.389	1.362	20	30		FDEDRO
CC[NH+](CC)CC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000298769543	990272443	/nfs/dbraw/zinc/27/24/43/990272443.db2.gz	FAGMLVLSRALDJJ-UHFFFAOYSA-N	1	0	354.458	1.717	20	30		FDEDRO
Cc1nc(C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)ccc1C#N	ZINC000298776272	990275399	/nfs/dbraw/zinc/27/53/99/990275399.db2.gz	CYDGHICVXZQUJN-UHFFFAOYSA-N	1	0	363.465	1.939	20	30		FDEDRO
CON=C(C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1csc(N)n1	ZINC000874445110	990284991	/nfs/dbraw/zinc/28/49/91/990284991.db2.gz	QPJHCDGRWGLXKZ-LBPRGKRZSA-N	1	0	351.476	1.553	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21	ZINC000298810038	990291746	/nfs/dbraw/zinc/29/17/46/990291746.db2.gz	XQZITQNNQKHIBS-QZTJIDSGSA-N	1	0	354.454	1.459	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCc3c(C(=O)OC)ccc(OC)c3C2)CC1	ZINC000874525303	990355706	/nfs/dbraw/zinc/35/57/06/990355706.db2.gz	UJZUEGANHJFHAI-UHFFFAOYSA-N	1	0	370.449	1.712	20	30		FDEDRO
CN1CC[NH+](C[C@H]2CCCN(CC(=O)Nc3ccc(C#N)cc3)C2)CC1	ZINC000371425098	990422466	/nfs/dbraw/zinc/42/24/66/990422466.db2.gz	QXQSAVQFYZDPKS-GOSISDBHSA-N	1	0	355.486	1.456	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1	ZINC000371474456	990458273	/nfs/dbraw/zinc/45/82/73/990458273.db2.gz	AJMJRZFGWOIGGT-FQEVSTJZSA-N	1	0	367.493	1.887	20	30		FDEDRO
CN(CCCN1CC[NH+](C)CC1)C(=O)[C@]1(C#N)CCc2ccccc2C1	ZINC000371507261	990488763	/nfs/dbraw/zinc/48/87/63/990488763.db2.gz	YXKAKULPRHVMND-OAQYLSRUSA-N	1	0	354.498	1.781	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000874846587	990574149	/nfs/dbraw/zinc/57/41/49/990574149.db2.gz	YTCJYPRGKPMNBF-SJORKVTESA-N	1	0	350.426	1.635	20	30		FDEDRO
C=CCc1cc(C[NH2+]C2CCN(c3nnnn3C)CC2)cc(OC)c1O	ZINC000371679170	990621907	/nfs/dbraw/zinc/62/19/07/990621907.db2.gz	KEGSYWWPQYEAEW-UHFFFAOYSA-N	1	0	358.446	1.411	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3CCN(C4CC4)CC3)n2)c(F)c1	ZINC000371728311	990665010	/nfs/dbraw/zinc/66/50/10/990665010.db2.gz	QIVDSYOAEUHLCG-UHFFFAOYSA-N	1	0	354.389	2.195	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1	ZINC000371743973	990682354	/nfs/dbraw/zinc/68/23/54/990682354.db2.gz	NVWFFWDFXDLUQL-UHFFFAOYSA-N	1	0	370.432	1.849	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)NCc1ccccc1C[NH+]1CCCCC1	ZINC000875014668	990731682	/nfs/dbraw/zinc/73/16/82/990731682.db2.gz	WDKBKTCPRQVUGN-LJQANCHMSA-N	1	0	371.481	1.443	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1	ZINC000875060074	990808296	/nfs/dbraw/zinc/80/82/96/990808296.db2.gz	KMZGKFMSVNXTGI-OALUTQOASA-N	1	0	371.481	1.484	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N1CCN([C@H]2CCC[N@H+](C)C2)CC1	ZINC000371922714	990827379	/nfs/dbraw/zinc/82/73/79/990827379.db2.gz	GQSIKVFIFTZRRO-OALUTQOASA-N	1	0	356.470	1.484	20	30		FDEDRO
CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccn(-c2cccc(C#N)c2)n1	ZINC000409796043	990834675	/nfs/dbraw/zinc/83/46/75/990834675.db2.gz	PNCBBHCVGDHOHT-QGZVFWFLSA-N	1	0	355.442	1.831	20	30		FDEDRO
CN(CC[N@H+](C)C1CC1)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1	ZINC000372160179	990941868	/nfs/dbraw/zinc/94/18/68/990941868.db2.gz	JTXGXABMUTYZKN-UHFFFAOYSA-N	1	0	356.405	2.441	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](OC)C[C@@H]2CC(=O)OCC)CC1	ZINC000372242563	990978645	/nfs/dbraw/zinc/97/86/45/990978645.db2.gz	UKGYDIDJPTZUGG-IAGOWNOFSA-N	1	0	367.490	1.779	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@]3(CC(C(=O)OC)=NO3)C2)CC1	ZINC000875247595	991189598	/nfs/dbraw/zinc/18/95/98/991189598.db2.gz	MXZUFHSYOAZRPQ-SFHVURJKSA-N	1	0	364.446	1.130	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(CCC(=O)Nc3ccccc3C#N)CC2)C1	ZINC000372605609	991263406	/nfs/dbraw/zinc/26/34/06/991263406.db2.gz	IWTXFHQVMPVKKI-GOSISDBHSA-N	1	0	355.486	1.599	20	30		FDEDRO
CN1CC[NH+]([C@@H]2CCCCN(C(=O)COc3ccc(C#N)cc3)C2)CC1	ZINC000372627322	991278967	/nfs/dbraw/zinc/27/89/67/991278967.db2.gz	YWIXFXQXSKVFQC-GOSISDBHSA-N	1	0	356.470	1.566	20	30		FDEDRO
COCCC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1	ZINC000372630635	991282869	/nfs/dbraw/zinc/28/28/69/991282869.db2.gz	IAEPPSKPETXHFG-UHFFFAOYSA-N	1	0	362.405	1.207	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)Cc2ccc(C#N)cc2)C[C@H]1C	ZINC000410736913	991750367	/nfs/dbraw/zinc/75/03/67/991750367.db2.gz	PWXXWXCAVBBMID-CRAIPNDOSA-N	1	0	356.470	1.848	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCC(C)([NH+]2CCCCC2)CC1	ZINC000875593214	991777980	/nfs/dbraw/zinc/77/79/80/991777980.db2.gz	DMSJECDBMPPBDI-KRWDZBQOSA-N	1	0	363.502	1.398	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC(CC)([NH+]2CCCC2)CC1	ZINC000875598502	991785090	/nfs/dbraw/zinc/78/50/90/991785090.db2.gz	YUXHHFBKROMHDH-QGZVFWFLSA-N	1	0	363.502	1.398	20	30		FDEDRO
COCC[N@@H+]1CCCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1	ZINC000373076137	991896336	/nfs/dbraw/zinc/89/63/36/991896336.db2.gz	GVFRENTXROMJLF-UHFFFAOYSA-N	1	0	368.441	1.120	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)c1	ZINC000373118640	991933941	/nfs/dbraw/zinc/93/39/41/991933941.db2.gz	UFHVDKWGEFBXPU-MOPGFXCFSA-N	1	0	356.470	1.407	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1	ZINC000875913753	992185535	/nfs/dbraw/zinc/18/55/35/992185535.db2.gz	HGAPJNTZPWLLQP-RBUKOAKNSA-N	1	0	359.470	1.481	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC	ZINC000875913779	992186195	/nfs/dbraw/zinc/18/61/95/992186195.db2.gz	HPWSYIHZLLMNNV-XNHLSEOASA-N	1	0	351.491	1.698	20	30		FDEDRO
CC(C)(C#N)c1ccc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1	ZINC000373530016	992270913	/nfs/dbraw/zinc/27/09/13/992270913.db2.gz	OOZMPHANMUMVAP-IBGZPJMESA-N	1	0	370.497	1.624	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CC[NH+]([C@H]3CCC[C@@H]3O)CC1)C2	ZINC000876283552	992523495	/nfs/dbraw/zinc/52/34/95/992523495.db2.gz	BQBDWTIDCGKZLD-QYZOEREBSA-N	1	0	354.454	1.266	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1	ZINC000411663028	992538659	/nfs/dbraw/zinc/53/86/59/992538659.db2.gz	CLYUTLWMAVETPA-HNNXBMFYSA-N	1	0	372.469	1.389	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])s1	ZINC000876510891	992674694	/nfs/dbraw/zinc/67/46/94/992674694.db2.gz	YVOPHHPKMPTGCJ-TZMCWYRMSA-N	1	0	371.528	1.483	20	30		FDEDRO
CCC(CC)C(=O)N1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876594026	992727818	/nfs/dbraw/zinc/72/78/18/992727818.db2.gz	KJOTVICIKDAPRN-IBGZPJMESA-N	1	0	368.481	1.852	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1	ZINC000876595737	992729350	/nfs/dbraw/zinc/72/93/50/992729350.db2.gz	FQOLTUFYNJHSEK-HNNXBMFYSA-N	1	0	351.834	1.450	20	30		FDEDRO
Cc1cccc(OC[C@@H](O)CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)c1	ZINC000876619823	992745983	/nfs/dbraw/zinc/74/59/83/992745983.db2.gz	CLBXOBHFMHSTTF-FXAWDEMLSA-N	1	0	365.433	1.610	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1	ZINC000876620451	992746620	/nfs/dbraw/zinc/74/66/20/992746620.db2.gz	LUNDNDVNJCTALX-HZPDHXFCSA-N	1	0	365.861	1.682	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccccc2OCC#N)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000374286410	992753479	/nfs/dbraw/zinc/75/34/79/992753479.db2.gz	GCNSPKMJWAHOFP-AEFFLSMTSA-N	1	0	356.470	1.687	20	30		FDEDRO
CC(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876633818	992758823	/nfs/dbraw/zinc/75/88/23/992758823.db2.gz	XYUZWTCGFOUKLY-LPHOPBHVSA-N	1	0	368.481	1.756	20	30		FDEDRO
CCCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876634445	992759777	/nfs/dbraw/zinc/75/97/77/992759777.db2.gz	RLINVMMRXRILBD-AEFFLSMTSA-N	1	0	354.454	1.510	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1C	ZINC000876672839	992786016	/nfs/dbraw/zinc/78/60/16/992786016.db2.gz	QIFKVHVHXSXXIQ-AWEZNQCLSA-N	1	0	351.834	1.876	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1	ZINC000876711458	992817517	/nfs/dbraw/zinc/81/75/17/992817517.db2.gz	YWGHZEQTTBLCON-CVEARBPZSA-N	1	0	355.841	1.785	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](CN1CCOCC1)c1ccc(C)cc1	ZINC000876714460	992820702	/nfs/dbraw/zinc/82/07/02/992820702.db2.gz	YJGCMSYZZANWSD-IAGOWNOFSA-N	1	0	351.878	1.954	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccccc1N1CCN(C(C)=O)CC1	ZINC000876748206	992868336	/nfs/dbraw/zinc/86/83/36/992868336.db2.gz	YHBZZIIXTYPPJV-INIZCTEOSA-N	1	0	364.877	1.441	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1	ZINC000876754579	992876114	/nfs/dbraw/zinc/87/61/14/992876114.db2.gz	TVCPGKBVBYWSOX-BCLQGDPASA-N	1	0	370.925	1.295	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(Cc2noc(C(C)(C)C)n2)CC1	ZINC000876770682	992894259	/nfs/dbraw/zinc/89/42/59/992894259.db2.gz	PKLODHYFUWKIJO-LBPRGKRZSA-N	1	0	355.870	1.481	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCCN(C(=O)C2CC2)CC1	ZINC000876874632	992944343	/nfs/dbraw/zinc/94/43/43/992944343.db2.gz	IBJQABOXUOZHJI-SFHVURJKSA-N	1	0	352.438	1.216	20	30		FDEDRO
CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(CC(=O)NC2(C#N)CCCCC2)C1	ZINC000374819446	992949119	/nfs/dbraw/zinc/94/91/19/992949119.db2.gz	MVYZOLOUKJKRKM-OAHLLOKOSA-N	1	0	372.473	1.890	20	30		FDEDRO
N#Cc1cnc(Cl)c(C[NH2+]CCCN2CCN(c3ncccn3)CC2)c1	ZINC000876922459	992968780	/nfs/dbraw/zinc/96/87/80/992968780.db2.gz	ADIZIHRAWKHONM-UHFFFAOYSA-N	1	0	371.876	1.699	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CCN(C(=O)c2csc(CC[NH3+])n2)CC1	ZINC000877251656	993151035	/nfs/dbraw/zinc/15/10/35/993151035.db2.gz	SVQRNSOTMAMMLI-UHFFFAOYSA-N	1	0	359.430	1.617	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)C2CC[NH2+]CC2)s1	ZINC000877253300	993152550	/nfs/dbraw/zinc/15/25/50/993152550.db2.gz	RQIHTAQIRJKSJH-LBPRGKRZSA-N	1	0	371.528	1.259	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)c3cccn3C3CC[NH2+]CC3)CC2)cn1	ZINC000877297148	993193009	/nfs/dbraw/zinc/19/30/09/993193009.db2.gz	OHOLMRKMLGYUES-UHFFFAOYSA-N	1	0	364.453	1.642	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])CC2)cn1	ZINC000877297037	993193857	/nfs/dbraw/zinc/19/38/57/993193857.db2.gz	NIWAKDRNYHVSNE-JOUKPKRSSA-N	1	0	353.470	1.755	20	30		FDEDRO
CN1CCN(c2ncc(C[N@H+](C)CCc3cccc(C#N)c3)cn2)CC1	ZINC000877704916	993457785	/nfs/dbraw/zinc/45/77/85/993457785.db2.gz	XJAATCNBJFQYJE-UHFFFAOYSA-N	1	0	350.470	1.775	20	30		FDEDRO
COC(=O)C1=NO[C@]2(CC[N@H+](Cc3ccc(N(C)CCC#N)cc3)C2)C1	ZINC000877714729	993467491	/nfs/dbraw/zinc/46/74/91/993467491.db2.gz	POWKZAVFRFKXQC-LJQANCHMSA-N	1	0	356.426	1.930	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC[C@@](C#N)(C(C)=O)c2ccccc2)CC1	ZINC000878019632	993617422	/nfs/dbraw/zinc/61/74/22/993617422.db2.gz	XOUBYUCQPUTDTF-OAQYLSRUSA-N	1	0	351.450	1.888	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000470693031	994092809	/nfs/dbraw/zinc/09/28/09/994092809.db2.gz	JIOSHMLFZYXLMH-INIZCTEOSA-N	1	0	352.442	1.929	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ncc(Br)s2)CC1	ZINC000923947851	994289064	/nfs/dbraw/zinc/28/90/64/994289064.db2.gz	WURRFVYISHDKBF-UHFFFAOYSA-N	1	0	357.277	1.802	20	30		FDEDRO
C#CCN(C(=O)NCc1ccnc(-c2ccccn2)n1)C1CC[NH+](C)CC1	ZINC000924007927	994319979	/nfs/dbraw/zinc/31/99/79/994319979.db2.gz	MXTQCHZJYJMIOJ-UHFFFAOYSA-N	1	0	364.453	1.778	20	30		FDEDRO
CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	ZINC000968917572	1015863061	/nfs/dbraw/zinc/86/30/61/1015863061.db2.gz	ZZKACZVQPPWRFZ-ZNMIVQPWSA-N	1	0	362.392	1.717	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+][C@@H](C)c1nncn1C)C2	ZINC000965160648	1015864638	/nfs/dbraw/zinc/86/46/38/1015864638.db2.gz	NTWAYDIULXDQEA-FRZXIPKASA-N	1	0	359.474	1.484	20	30		FDEDRO
N#CCc1ccc(CS(=O)(=O)NCCCCCN2CC[NH2+]CC2)cc1	ZINC000923680508	994741632	/nfs/dbraw/zinc/74/16/32/994741632.db2.gz	YSQXHLPZWPFDNR-UHFFFAOYSA-N	1	0	364.515	1.248	20	30		FDEDRO
COC(=O)C[C@](C)([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C1CC1	ZINC000879440456	994914429	/nfs/dbraw/zinc/91/44/29/994914429.db2.gz	DVKJOQRXBLGNSK-KRWDZBQOSA-N	1	0	350.440	1.653	20	30		FDEDRO
COC(=O)C[C@@](C)([NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)C1CC1	ZINC000879442085	994916007	/nfs/dbraw/zinc/91/60/07/994916007.db2.gz	NCICQPWVJFKRSQ-VQIMIIECSA-N	1	0	364.490	1.000	20	30		FDEDRO
COc1ccc([C@@H]2CN(CC(=O)NCc3ccc(C#N)cc3)CC[NH2+]2)cc1	ZINC000879522323	994975100	/nfs/dbraw/zinc/97/51/00/994975100.db2.gz	WMHMGJMDIJCOFA-FQEVSTJZSA-N	1	0	364.449	1.830	20	30		FDEDRO
Cc1cc(C#N)nc(N2CCC(C)(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1	ZINC001110897991	995252998	/nfs/dbraw/zinc/25/29/98/995252998.db2.gz	JHUPTZNGYODFDW-NVXWUHKLSA-N	1	0	370.501	1.720	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc3c([nH]c2=O)CCCC3)CC1	ZINC000651589419	1015937172	/nfs/dbraw/zinc/93/71/72/1015937172.db2.gz	DOOMYFKAGBCMDL-UHFFFAOYSA-N	1	0	358.442	1.371	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(CC2([NH+]3CCCCC3)CCN(C)CC2)C1=O	ZINC000925328542	995498278	/nfs/dbraw/zinc/49/82/78/995498278.db2.gz	ZFILCKSRDBMGAN-INIZCTEOSA-N	1	0	364.490	1.060	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1	ZINC000879976567	995505968	/nfs/dbraw/zinc/50/59/68/995505968.db2.gz	WIFFQHASMRBNGX-KZNAEPCWSA-N	1	0	365.518	1.543	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N[C@@H]1COC[C@@H]1Oc1cnn(-c2ccccc2)c1	ZINC000925779273	995765051	/nfs/dbraw/zinc/76/50/51/995765051.db2.gz	JGPUKWBGRIMRKR-MOPGFXCFSA-N	1	0	370.453	1.643	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)C2	ZINC000926146891	995937850	/nfs/dbraw/zinc/93/78/50/995937850.db2.gz	IAJCPOYCFIWFKC-BNDYYXHWSA-N	1	0	370.497	1.834	20	30		FDEDRO
CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3ncc(C#N)cc3C)C2)[C@@H]1C(C)C	ZINC000926244169	995992801	/nfs/dbraw/zinc/99/28/01/995992801.db2.gz	WPPYYTCWJSIDPG-HBXLWWENSA-N	1	0	356.470	1.861	20	30		FDEDRO
CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)[C@@H](O)c3ccc(C#N)cc3)C2)[C@@H]1C(C)C	ZINC000926248103	995995495	/nfs/dbraw/zinc/99/54/95/995995495.db2.gz	YMHVEVPTXGGXAQ-AGRFSFNASA-N	1	0	371.481	1.578	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2	ZINC000926315295	996049215	/nfs/dbraw/zinc/04/92/15/996049215.db2.gz	PSBPTMPBKUWUSQ-NRFANRHFSA-N	1	0	371.481	1.954	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCC[C@H]3CNC(=O)C3)CC2)cc1	ZINC000926969981	996383477	/nfs/dbraw/zinc/38/34/77/996383477.db2.gz	LVCGEMZYJFHUCK-GOSISDBHSA-N	1	0	369.469	1.302	20	30		FDEDRO
C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC(=O)N(C)[C@@H]3c3cccnc3)C2)C1	ZINC000965397399	1016037869	/nfs/dbraw/zinc/03/78/69/1016037869.db2.gz	JIRBPZWOHPFKRS-BMZTVKAZSA-N	1	0	368.481	1.804	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+][C@H]1CCCNC1=O)C2	ZINC000965424989	1016059343	/nfs/dbraw/zinc/05/93/43/1016059343.db2.gz	PRGCKLAVTGCWCL-PZWKLGFKSA-N	1	0	361.486	1.263	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CCn1cncn1)C2	ZINC000965424696	1016059551	/nfs/dbraw/zinc/05/95/51/1016059551.db2.gz	OOOCTDJAOJXLNR-IOAIVIQVSA-N	1	0	359.474	1.276	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c(F)c1	ZINC000887034892	996848260	/nfs/dbraw/zinc/84/82/60/996848260.db2.gz	BFFGQGOZVKJWNH-JTQLQIEISA-N	1	0	357.307	1.246	20	30		FDEDRO
C[NH+]=C(NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1)NC1CC1	ZINC000264040372	997387424	/nfs/dbraw/zinc/38/74/24/997387424.db2.gz	IKKHQZBGEZTEMD-MRXNPFEDSA-N	1	0	362.474	1.405	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NC[C@@H](O)c2ccccc2OC)cc1OC	ZINC000264067325	997393174	/nfs/dbraw/zinc/39/31/74/997393174.db2.gz	BXBZIDTWNDXLQD-OAHLLOKOSA-N	1	0	359.426	1.850	20	30		FDEDRO
CC[C@H](C)NC(=[NH2+])NCc1ccccc1OCC(=O)NC[C@H]1CCCO1	ZINC000264068785	997394969	/nfs/dbraw/zinc/39/49/69/997394969.db2.gz	CNUPBUXMUPCPIJ-GOEBONIOSA-N	1	0	362.474	1.563	20	30		FDEDRO
CC(C)C(=O)Nc1ccc(CNC(=[NH2+])NCCCN2CCOCC2)cc1	ZINC000264070909	997395823	/nfs/dbraw/zinc/39/58/23/997395823.db2.gz	GCXABLVLAXZLCR-UHFFFAOYSA-N	1	0	361.490	1.408	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCCNC(=O)c2ccc(O)cc2)cc1OC	ZINC000264096983	997401056	/nfs/dbraw/zinc/40/10/56/997401056.db2.gz	MYCBAIBNYHIBTI-UHFFFAOYSA-N	1	0	372.425	1.244	20	30		FDEDRO
CC(C)[N@@H+]1CCCN(CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1	ZINC000264109284	997402799	/nfs/dbraw/zinc/40/27/99/997402799.db2.gz	KCBMIVVMMXQGHC-INIZCTEOSA-N	1	0	367.453	1.928	20	30		FDEDRO
CCCCNC(=[NH2+])NCc1cccc(NC(=O)CCN2CCOCC2)c1	ZINC000264112583	997404295	/nfs/dbraw/zinc/40/42/95/997404295.db2.gz	RKDLITLDEOEJGP-UHFFFAOYSA-N	1	0	361.490	1.552	20	30		FDEDRO
[NH2+]=C(NCc1cccc(NC(=O)CCN2CCOCC2)c1)NC1CCCC1	ZINC000264130768	997408764	/nfs/dbraw/zinc/40/87/64/997408764.db2.gz	YACCRZDCSWZEGZ-UHFFFAOYSA-N	1	0	373.501	1.694	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(Cc3cccnc3)CC2)CC1	ZINC000264371388	997484397	/nfs/dbraw/zinc/48/43/97/997484397.db2.gz	IXUYHRFGXSIWHQ-UHFFFAOYSA-N	1	0	357.502	1.949	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Nc2cnn(CC(=O)NC3CC3)c2)CC1	ZINC000264418817	997503964	/nfs/dbraw/zinc/50/39/64/997503964.db2.gz	STWSVNBLBCNBAF-UHFFFAOYSA-N	1	0	360.462	1.324	20	30		FDEDRO
N#CCOc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1	ZINC000264439303	997511799	/nfs/dbraw/zinc/51/17/99/997511799.db2.gz	DIZMEIXDPDRDCB-MRXNPFEDSA-N	1	0	356.426	1.614	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)/C=C/c2ccc(OCC(N)=O)c(OC)c2)CC1	ZINC000264445969	997513036	/nfs/dbraw/zinc/51/30/36/997513036.db2.gz	BIVOUACHZFYKLK-FNORWQNLSA-N	1	0	373.453	1.339	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Cc2[nH]c(C(C)=O)c(C)c2C(=O)OC)CC1	ZINC000264524302	997531708	/nfs/dbraw/zinc/53/17/08/997531708.db2.gz	XYUOZNLUTGNFTJ-UHFFFAOYSA-N	1	0	361.442	1.621	20	30		FDEDRO
C#CCC1(NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)CCOCC1	ZINC000887667884	997621849	/nfs/dbraw/zinc/62/18/49/997621849.db2.gz	CQAZGAJPIYNGSB-KRWDZBQOSA-N	1	0	350.507	1.130	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)CC1	ZINC000887668090	997622037	/nfs/dbraw/zinc/62/20/37/997622037.db2.gz	JYIVCSSGYMTPHN-KRWDZBQOSA-N	1	0	352.523	1.371	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](C(=O)N2CCO[C@@](C)(C#N)C2)[C@H](c2cnn(C)c2)C1	ZINC000887692416	997657309	/nfs/dbraw/zinc/65/73/09/997657309.db2.gz	MKAWQPUEVZSECM-LNLFQRSKSA-N	1	0	359.474	1.375	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C[C@]2(C)C1	ZINC000887924474	997954600	/nfs/dbraw/zinc/95/46/00/997954600.db2.gz	MBVUAIPMFGGFIW-VCBZYWHSSA-N	1	0	364.490	1.984	20	30		FDEDRO
C#CCN(CC)C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000889869484	998714293	/nfs/dbraw/zinc/71/42/93/998714293.db2.gz	NYZZKPWHYXWENJ-SFHVURJKSA-N	1	0	354.454	1.391	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)NCC[N@@H+]3CCC(C)(C)C3)CC2)o1	ZINC000890072625	998803390	/nfs/dbraw/zinc/80/33/90/998803390.db2.gz	RQGUJNBJUQCPAU-UHFFFAOYSA-N	1	0	359.474	1.919	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NCCN2CCCOCC2)ccc1C1CC1	ZINC000890124773	998829542	/nfs/dbraw/zinc/82/95/42/998829542.db2.gz	GCSVDZVDUMBFMQ-UHFFFAOYSA-N	1	0	356.426	1.213	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)Nc1cccc(CC#N)n1)[C@@H](c1ccccc1)[NH+](C)C	ZINC000890187260	998866017	/nfs/dbraw/zinc/86/60/17/998866017.db2.gz	DKNYITBWSPJPJM-KDOFPFPSSA-N	1	0	365.437	1.894	20	30		FDEDRO
C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000890232827	998875705	/nfs/dbraw/zinc/87/57/05/998875705.db2.gz	XPGPNSXAGMWOBK-YJBOKZPZSA-N	1	0	354.454	1.390	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(Cn3ccnn3)o1)C2	ZINC001110839712	999011918	/nfs/dbraw/zinc/01/19/18/999011918.db2.gz	UVWXHTJQPRPEJW-OIISXLGYSA-N	1	0	371.441	1.457	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(NC(=O)Cc2ccccc2CC#N)CC1	ZINC000777392653	999057130	/nfs/dbraw/zinc/05/71/30/999057130.db2.gz	SOTHYQZSYSLJSL-UHFFFAOYSA-N	1	0	356.470	1.354	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O)C2	ZINC001110876886	999096825	/nfs/dbraw/zinc/09/68/25/999096825.db2.gz	YQMXUIYOHUMXNA-BMFZPTHFSA-N	1	0	360.458	1.817	20	30		FDEDRO
C=CCOCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H](C)C(=O)NCC(C)C)C2	ZINC001111662417	999105558	/nfs/dbraw/zinc/10/55/58/999105558.db2.gz	WMLNHCHCAHCRGO-GJYPPUQNSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(CNC(=O)OC)cc2)CC1	ZINC000266648476	999209624	/nfs/dbraw/zinc/20/96/24/999209624.db2.gz	FUMRSJBFQBZLPN-UHFFFAOYSA-N	1	0	374.441	1.248	20	30		FDEDRO
CN(C)[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)c1c(F)cccc1F	ZINC000267459768	999341910	/nfs/dbraw/zinc/34/19/10/999341910.db2.gz	UPZGVZHUXSJTTN-INIZCTEOSA-N	1	0	369.460	1.194	20	30		FDEDRO
CC(C)(C)c1csc(CCNC(=[NH2+])N2CCN(c3ncccn3)CC2)n1	ZINC000267460840	999342322	/nfs/dbraw/zinc/34/23/22/999342322.db2.gz	VAJVNZNQVDRDBW-UHFFFAOYSA-N	1	0	373.530	1.910	20	30		FDEDRO
COCCOCCN(CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1	ZINC000268258707	999435320	/nfs/dbraw/zinc/43/53/20/999435320.db2.gz	DMXRTDHTXGIWMR-HXUWFJFHSA-N	1	0	359.470	1.960	20	30		FDEDRO
CN(C)c1cccc(CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)n1	ZINC000269926829	999487540	/nfs/dbraw/zinc/48/75/40/999487540.db2.gz	BVJFDYHVIMWFEM-HNNXBMFYSA-N	1	0	374.489	1.528	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CO)C[C@@H](O)c2ccccc2)CC1	ZINC000270062036	999506283	/nfs/dbraw/zinc/50/62/83/999506283.db2.gz	KIDKSFHGCFQBQW-RBUKOAKNSA-N	1	0	361.486	1.811	20	30		FDEDRO
C#CC[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)c1ccccc1	ZINC000270379901	999550087	/nfs/dbraw/zinc/55/00/87/999550087.db2.gz	VQACTYUGYPCHOL-RBUKOAKNSA-N	1	0	368.481	1.699	20	30		FDEDRO
CC(C)N1CC[NH+](C2CCN(CC(=O)Nc3cccc(C#N)c3)CC2)CC1	ZINC000270928870	999635684	/nfs/dbraw/zinc/63/56/84/999635684.db2.gz	PXFRIPHVXDQPIU-UHFFFAOYSA-N	1	0	369.513	1.987	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)nn1CCC#N	ZINC000271116555	999663603	/nfs/dbraw/zinc/66/36/03/999663603.db2.gz	INFDCEPFZOUMMH-MRXNPFEDSA-N	1	0	374.489	1.528	20	30		FDEDRO
COCCOc1ccc([C@@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1	ZINC000271522333	999709591	/nfs/dbraw/zinc/70/95/91/999709591.db2.gz	UZBIALLQUMDZLQ-ORIGZDJFSA-N	1	0	359.426	1.889	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)NCc1ccc(OCC(N)=O)cc1)c1ccc(C#N)cc1	ZINC000271673447	999724052	/nfs/dbraw/zinc/72/40/52/999724052.db2.gz	NXXOXZSVIKLIBB-AWEZNQCLSA-N	1	0	366.421	1.389	20	30		FDEDRO
C#CCN(C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C1CC1	ZINC000274040828	999735548	/nfs/dbraw/zinc/73/55/48/999735548.db2.gz	AVPDJHQRJWFSFG-SFHVURJKSA-N	1	0	368.481	1.691	20	30		FDEDRO
C#CC[N@@H+](Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1)C1CC1	ZINC000274125002	999736225	/nfs/dbraw/zinc/73/62/25/999736225.db2.gz	NUSDNMJJYPXWAD-UHFFFAOYSA-N	1	0	358.438	1.530	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N(C)CCn1cccn1)C(C)C	ZINC000283647868	999759315	/nfs/dbraw/zinc/75/93/15/999759315.db2.gz	AMTFLTGMYGWCHT-KRWDZBQOSA-N	1	0	361.490	1.156	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2cc(F)ccc2OC)CC1	ZINC000283710340	999760674	/nfs/dbraw/zinc/76/06/74/999760674.db2.gz	AAMYOPXLKBTZSL-CYBMUJFWSA-N	1	0	363.433	1.778	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@@H](C)Cn1ccnc1)C(C)C	ZINC000284147498	999778284	/nfs/dbraw/zinc/77/82/84/999778284.db2.gz	YVFWZVDCYBWBBU-DLBZAZTESA-N	1	0	361.490	1.203	20	30		FDEDRO
N#Cc1cccc(OCCC[NH+]2CCC(n3cnc(C(N)=O)c3N)CC2)c1	ZINC000284398855	999824637	/nfs/dbraw/zinc/82/46/37/999824637.db2.gz	WFNYDMDBDFZYPB-UHFFFAOYSA-N	1	0	368.441	1.542	20	30		FDEDRO
CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCCCCC#N)Cc1ccccc1	ZINC000284660117	999862560	/nfs/dbraw/zinc/86/25/60/999862560.db2.gz	TYLKYJBQBJYIHO-GOSISDBHSA-N	1	0	358.486	1.866	20	30		FDEDRO
C#CCNc1nc(N[C@H]2CC[C@H](O)CC2)[nH+]c(N[C@H]2CC[C@H](O)CC2)n1	ZINC000286077672	999936948	/nfs/dbraw/zinc/93/69/48/999936948.db2.gz	CQAQKKTWSLDCGD-KTSLABGISA-N	1	0	360.462	1.348	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2c2ccncc2)CC1	ZINC000286399713	999944245	/nfs/dbraw/zinc/94/42/45/999944245.db2.gz	DQXDQRCORKYLPS-GOSISDBHSA-N	1	0	356.470	1.902	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](Nc3ccccc3)C2)CC1	ZINC000286427378	999944299	/nfs/dbraw/zinc/94/42/99/999944299.db2.gz	GDQDZSOALUHAEU-LJQANCHMSA-N	1	0	370.497	1.856	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H](C)c2ccc(OC)cc2)CC1	ZINC000286404887	999944337	/nfs/dbraw/zinc/94/43/37/999944337.db2.gz	DYFJKIFTFSBFTB-OAHLLOKOSA-N	1	0	359.470	1.981	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)Cc2cccc(N(C)C)c2)CC1	ZINC000286473183	999944720	/nfs/dbraw/zinc/94/47/20/999944720.db2.gz	ITDLMQHBLZZTEP-UHFFFAOYSA-N	1	0	372.513	1.868	20	30		FDEDRO
N#CCCCCNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000286772064	999950407	/nfs/dbraw/zinc/95/04/07/999950407.db2.gz	QXYGBOIWPNFWJI-GOSISDBHSA-N	1	0	372.469	1.204	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[C@@](C)(O)c2ccccc2)CC1	ZINC000286797657	999950895	/nfs/dbraw/zinc/95/08/95/999950895.db2.gz	UROLRUOEIZRNIQ-OAQYLSRUSA-N	1	0	373.497	1.557	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C	ZINC000287287796	999956337	/nfs/dbraw/zinc/95/63/37/999956337.db2.gz	JXHKFLCGASIBNC-WBVHZDCISA-N	1	0	359.470	1.666	20	30		FDEDRO
C[NH+]1CCC(O)(CNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000288123410	999988431	/nfs/dbraw/zinc/98/84/31/999988431.db2.gz	YAZAVDCKTWJATK-OAHLLOKOSA-N	1	0	360.433	1.097	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1	ZINC000288193806	999995650	/nfs/dbraw/zinc/99/56/50/999995650.db2.gz	SANHCENOHDHFFP-SFHVURJKSA-N	1	0	359.470	1.294	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1	ZINC000288199018	999996164	/nfs/dbraw/zinc/99/61/64/999996164.db2.gz	SHHXSGGBBFNRSA-RDJZCZTQSA-N	1	0	355.438	1.722	20	30		FDEDRO
CN(C)c1ncc(CNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)n1C	ZINC000288549623	1000026177	/nfs/dbraw/zinc/02/61/77/1000026177.db2.gz	SUEAFESEPVSXRS-CQSZACIVSA-N	1	0	370.432	1.640	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1	ZINC000288884190	1000055891	/nfs/dbraw/zinc/05/58/91/1000055891.db2.gz	HZHPMRRWYAACKK-NVXWUHKLSA-N	1	0	371.481	1.951	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1	ZINC000289247957	1000084851	/nfs/dbraw/zinc/08/48/51/1000084851.db2.gz	FBAMHUISHXMIKO-MRXNPFEDSA-N	1	0	366.465	1.839	20	30		FDEDRO
COc1ccncc1CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000292359842	1000233825	/nfs/dbraw/zinc/23/38/25/1000233825.db2.gz	QYZIYJOPXWIJOR-AWEZNQCLSA-N	1	0	361.446	1.471	20	30		FDEDRO
CN(CCc1cccc(C#N)c1)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1	ZINC000927630240	1000943743	/nfs/dbraw/zinc/94/37/43/1000943743.db2.gz	OCLVOLONWKKUGO-LJQANCHMSA-N	1	0	356.470	1.995	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cc21	ZINC000927795260	1001053560	/nfs/dbraw/zinc/05/35/60/1001053560.db2.gz	NQIKTIADYNNDRA-USXIJHARSA-N	1	0	367.453	1.747	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)NCC3(C)CC[NH2+]CC3)cc21	ZINC000927796262	1001054428	/nfs/dbraw/zinc/05/44/28/1001054428.db2.gz	ZKTACHDBDCJQOL-UHFFFAOYSA-N	1	0	355.442	1.667	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc[nH]c1CCC)C2	ZINC001110930329	1001064684	/nfs/dbraw/zinc/06/46/84/1001064684.db2.gz	BLRFLOCIVQQMPE-DTDBQYNISA-N	1	0	356.470	1.440	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)cc21	ZINC000927806376	1001066556	/nfs/dbraw/zinc/06/65/56/1001066556.db2.gz	QKFHWUBIKISBOZ-BGYRXZFFSA-N	1	0	367.453	1.619	20	30		FDEDRO
N#CCCc1ccc(NC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1	ZINC000927808053	1001068871	/nfs/dbraw/zinc/06/88/71/1001068871.db2.gz	XXAJOROMZHKXCT-JSGCOSHPSA-N	1	0	368.359	1.677	20	30		FDEDRO
CCOC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)CC1	ZINC000777644679	1001089311	/nfs/dbraw/zinc/08/93/11/1001089311.db2.gz	OUFTWHBKXRFUNX-CXAGYDPISA-N	1	0	358.442	1.931	20	30		FDEDRO
C=CCCC[C@H](NC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)C(=O)OC	ZINC000928323363	1001492358	/nfs/dbraw/zinc/49/23/58/1001492358.db2.gz	PGQDIINVNTXZRN-BBWFWOEESA-N	1	0	362.474	1.470	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@]2(Cc3ccccc3)CCN(C)C2=O)CC1	ZINC000928650093	1001607636	/nfs/dbraw/zinc/60/76/36/1001607636.db2.gz	YDUVAPZMLPLBMJ-NRFANRHFSA-N	1	0	353.466	1.291	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Cc2ccc(Br)cc2O)CC1	ZINC000928652744	1001609702	/nfs/dbraw/zinc/60/97/02/1001609702.db2.gz	KPOOCDIJJKNFHX-UHFFFAOYSA-N	1	0	351.244	1.911	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C[C@@H]2COCCN2C(=O)OC(C)(C)C)CC1	ZINC000928653299	1001610328	/nfs/dbraw/zinc/61/03/28/1001610328.db2.gz	HJCODWWWOVOMGM-MRXNPFEDSA-N	1	0	365.474	1.226	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)CC1	ZINC000928654252	1001610375	/nfs/dbraw/zinc/61/03/75/1001610375.db2.gz	TWLGEQASLPWFRK-HNNXBMFYSA-N	1	0	357.429	1.701	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(OC)cc2)CC1	ZINC000928655150	1001611288	/nfs/dbraw/zinc/61/12/88/1001611288.db2.gz	LWVWAUAXIWUZKB-AZUAARDMSA-N	1	0	369.465	1.428	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1	ZINC000928655520	1001611993	/nfs/dbraw/zinc/61/19/93/1001611993.db2.gz	SEGDBVOGJUJAJY-GOSISDBHSA-N	1	0	353.466	1.753	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CCCN2c2ncnc3ccccc32)CC1	ZINC000928659174	1001614482	/nfs/dbraw/zinc/61/44/82/1001614482.db2.gz	GOIHCLHDFNPMRP-LJQANCHMSA-N	1	0	363.465	1.812	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1cccc(OCC)c1)C1CC[NH+](C)CC1	ZINC000929361484	1001969210	/nfs/dbraw/zinc/96/92/10/1001969210.db2.gz	GTIRHPKXKABGGN-UHFFFAOYSA-N	1	0	357.454	1.258	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1)c1ccc(C#N)cc1	ZINC000929379567	1001982189	/nfs/dbraw/zinc/98/21/89/1001982189.db2.gz	MSTHEFZADBTTML-CYBMUJFWSA-N	1	0	351.410	1.513	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC000948205238	1002175610	/nfs/dbraw/zinc/17/56/10/1002175610.db2.gz	LXNUQECEPYDXQU-KBRIMQKVSA-N	1	0	357.458	1.336	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)CC[N@@H+]1C	ZINC000948207303	1002178568	/nfs/dbraw/zinc/17/85/68/1002178568.db2.gz	NOQDEQBLDQEMLN-JWZBEHFJSA-N	1	0	357.458	1.193	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3oc(C)cc3C)C[C@H]2C)CC1	ZINC000948219453	1002186725	/nfs/dbraw/zinc/18/67/25/1002186725.db2.gz	WOUXUYAMADHYFG-CRAIPNDOSA-N	1	0	371.481	1.818	20	30		FDEDRO
COc1nccc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)n1	ZINC000929583841	1002228421	/nfs/dbraw/zinc/22/84/21/1002228421.db2.gz	DXFKQFYKOPANPN-UHFFFAOYSA-N	1	0	351.410	1.705	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](Cc2cnnn2C)CC1	ZINC000948385313	1002290583	/nfs/dbraw/zinc/29/05/83/1002290583.db2.gz	JWYCYLLXJYVULR-JQHSSLGASA-N	1	0	361.490	1.609	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3coc(C)c3)C[C@H]2C)CC1	ZINC000948681947	1002563419	/nfs/dbraw/zinc/56/34/19/1002563419.db2.gz	WWWXSCJWQJQMKG-RDTXWAMCSA-N	1	0	357.454	1.510	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CCc2cnn(C)c2)CC1	ZINC000948786509	1002693546	/nfs/dbraw/zinc/69/35/46/1002693546.db2.gz	ZRKFAPGBCVUYCA-OTWHNJEPSA-N	1	0	360.502	1.867	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2c(F)cc(C)cc2F)CC1	ZINC000930006411	1002728671	/nfs/dbraw/zinc/72/86/71/1002728671.db2.gz	FUOUKHBICIHYRR-UHFFFAOYSA-N	1	0	351.397	1.656	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH+]ccc1N(C)C)C2	ZINC001111284493	1002737559	/nfs/dbraw/zinc/73/75/59/1002737559.db2.gz	ZZLBJZIDMGUDPO-SZXPJGKVSA-N	1	0	371.485	1.173	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3c(C)coc3C)C[C@H]2C)CC1	ZINC000948866287	1002771047	/nfs/dbraw/zinc/77/10/47/1002771047.db2.gz	ZPPZRVPTTXNSNK-RDTXWAMCSA-N	1	0	371.481	1.818	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](O)C1	ZINC000965999165	1016685865	/nfs/dbraw/zinc/68/58/65/1016685865.db2.gz	VVNNPHPWSUXGRG-SJORKVTESA-N	1	0	359.470	1.262	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCCOC1CCCCCC1)C1CC[NH+](C)CC1	ZINC000930205697	1002926147	/nfs/dbraw/zinc/92/61/47/1002926147.db2.gz	DWIJJQJIVHTKKW-UHFFFAOYSA-N	1	0	363.502	1.398	20	30		FDEDRO
C#CCOc1ccc(NC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1	ZINC000930246494	1002965921	/nfs/dbraw/zinc/96/59/21/1002965921.db2.gz	NAPPNIHHBVARKD-SFHVURJKSA-N	1	0	356.470	1.942	20	30		FDEDRO
CS(=O)(=O)N1CC(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)C1	ZINC000930463903	1003165229	/nfs/dbraw/zinc/16/52/29/1003165229.db2.gz	AJTXJICDDYPQHK-UHFFFAOYSA-N	1	0	367.446	1.432	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1	ZINC000949432855	1003344921	/nfs/dbraw/zinc/34/49/21/1003344921.db2.gz	ZYKSBUROHDJWAT-NTDBWNAOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)C(=O)O1	ZINC000930639171	1003352312	/nfs/dbraw/zinc/35/23/12/1003352312.db2.gz	MANMCZOWWJESQX-MCIONIFRSA-N	1	0	352.431	1.472	20	30		FDEDRO
C#CCC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)CC2)C1	ZINC000949475037	1003376036	/nfs/dbraw/zinc/37/60/36/1003376036.db2.gz	VEZIDHRZFJFCHO-IAGOWNOFSA-N	1	0	356.470	1.240	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC1)C[N@H+]([C@@H](C)COC)CCO2	ZINC000949493326	1003397434	/nfs/dbraw/zinc/39/74/34/1003397434.db2.gz	SUPSRSCDGMGPBP-BZSNNMDCSA-N	1	0	366.502	1.696	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CCN(Cc2ccccc2)C1=O	ZINC000930705889	1003418024	/nfs/dbraw/zinc/41/80/24/1003418024.db2.gz	MJUBNOXQXORBAT-SFHVURJKSA-N	1	0	356.470	1.729	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1	ZINC000930743515	1003462051	/nfs/dbraw/zinc/46/20/51/1003462051.db2.gz	OKAFHZWBECIQKG-UHFFFAOYSA-N	1	0	360.483	1.569	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NC1CCC(C)([NH+]2CCC2)CC1	ZINC000930767796	1003484846	/nfs/dbraw/zinc/48/48/46/1003484846.db2.gz	BZUHDWAPBWCLFL-RPTYLJJZSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1	ZINC000966368088	1016795276	/nfs/dbraw/zinc/79/52/76/1016795276.db2.gz	MACWIKCSNAWRKF-BBWFWOEESA-N	1	0	365.518	1.540	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCOCC	ZINC001111292000	1003604411	/nfs/dbraw/zinc/60/44/11/1003604411.db2.gz	VRPVVRDBNVCIQY-NXHRZFHOSA-N	1	0	357.454	1.855	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc1C#N	ZINC000930948896	1003698192	/nfs/dbraw/zinc/69/81/92/1003698192.db2.gz	KOWHNHPAGAQTDF-HRCADAONSA-N	1	0	372.469	1.097	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H](C)C1CCC(F)(F)CC1)C1CC[NH+](C)CC1	ZINC000930952194	1003703732	/nfs/dbraw/zinc/70/37/32/1003703732.db2.gz	BFVIIQNQONQTMQ-CQSZACIVSA-N	1	0	369.456	1.873	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3ccncc3)C2)CC1	ZINC000949864659	1003757946	/nfs/dbraw/zinc/75/79/46/1003757946.db2.gz	AZMQEJCKFZDKCG-CRAIPNDOSA-N	1	0	354.454	1.004	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3CC34CCC4)C2)CC1	ZINC000949864863	1003759189	/nfs/dbraw/zinc/75/91/89/1003759189.db2.gz	MBVKVMZGTQGFBQ-KBAYOESNSA-N	1	0	357.498	1.485	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H]1CCc2ccc(O)cc21)C1CC[NH+](C)CC1	ZINC000931005544	1003763922	/nfs/dbraw/zinc/76/39/22/1003763922.db2.gz	KAXZBWNPCOFUTJ-GOSISDBHSA-N	1	0	355.438	1.052	20	30		FDEDRO
C[C@H]1[C@H]([NH+](C)C)CCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000931037159	1003801928	/nfs/dbraw/zinc/80/19/28/1003801928.db2.gz	AGDKOSAFPZABDL-WMLDXEAASA-N	1	0	352.442	1.707	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1cccc2ncccc12)C1CC[NH+](C)CC1	ZINC000931203367	1003957962	/nfs/dbraw/zinc/95/79/62/1003957962.db2.gz	CUEOJULOKYNOMJ-UHFFFAOYSA-N	1	0	364.449	1.407	20	30		FDEDRO
COc1cc(C#N)ccc1C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000931217287	1003968031	/nfs/dbraw/zinc/96/80/31/1003968031.db2.gz	OPOFATDGKMXIIA-UHFFFAOYSA-N	1	0	356.470	1.855	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H](Cc1ccccc1)C(C)C)C1CC[NH+](C)CC1	ZINC000931247284	1003993772	/nfs/dbraw/zinc/99/37/72/1003993772.db2.gz	HQOYISDXCXCFOQ-HXUWFJFHSA-N	1	0	369.509	1.926	20	30		FDEDRO
C[NH+](C)[C@@H]1[C@H]2CN(CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)C[C@H]21	ZINC000931281763	1004022620	/nfs/dbraw/zinc/02/26/20/1004022620.db2.gz	XNXBKRJURYZBHT-VQFNDLOPSA-N	1	0	365.399	1.665	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)CN2CC[NH+](CCc3ccncc3)CC2)cc1	ZINC000931346673	1004075189	/nfs/dbraw/zinc/07/51/89/1004075189.db2.gz	KJNABPNYZFVWRG-FQEVSTJZSA-N	1	0	366.465	1.553	20	30		FDEDRO
Cc1cc(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c(C#N)cc1N(C)C	ZINC000931446913	1004170484	/nfs/dbraw/zinc/17/04/84/1004170484.db2.gz	WZFPQRWHJBTWDQ-ROUUACIJSA-N	1	0	371.485	1.996	20	30		FDEDRO
CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)NCc2cc(C#N)ccc2F)CC1	ZINC000931591739	1004295610	/nfs/dbraw/zinc/29/56/10/1004295610.db2.gz	FBLXAHGFLCHMPD-UHFFFAOYSA-N	1	0	360.433	1.646	20	30		FDEDRO
CC1(C)CNC(=O)[C@H]1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000931659511	1004377152	/nfs/dbraw/zinc/37/71/52/1004377152.db2.gz	VSVLGTUILDOJCS-OAHLLOKOSA-N	1	0	367.371	1.287	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)Nc2ccc(C)c(N3C(=O)CNC3=O)c2)C1	ZINC000931716518	1004438961	/nfs/dbraw/zinc/43/89/61/1004438961.db2.gz	MPJVNSPYGKTUKL-OAHLLOKOSA-N	1	0	369.425	1.270	20	30		FDEDRO
C#CCCN(CCOC)C(=O)C(=O)NC1CCC(C)([NH+]2CCCC2)CC1	ZINC000931799244	1004501539	/nfs/dbraw/zinc/50/15/39/1004501539.db2.gz	NCJGZPJSEDBKFP-UHFFFAOYSA-N	1	0	363.502	1.398	20	30		FDEDRO
N#Cc1ccsc1NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000931832436	1004524919	/nfs/dbraw/zinc/52/49/19/1004524919.db2.gz	YLPQVFGMCJCYGZ-HNNXBMFYSA-N	1	0	363.487	1.538	20	30		FDEDRO
Cc1nc([C@H]2CCN(CC#CCN3CC[C@H](c4noc(C)n4)C3)C2)no1	ZINC000931935212	1004620720	/nfs/dbraw/zinc/62/07/20/1004620720.db2.gz	KZMAXDADKPSTMS-HOTGVXAUSA-N	1	0	356.430	1.352	20	30		FDEDRO
COc1cc(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c(F)cc1C#N	ZINC000931983925	1004670675	/nfs/dbraw/zinc/67/06/75/1004670675.db2.gz	NTZGCEDGTBNEKA-HZPDHXFCSA-N	1	0	362.405	1.769	20	30		FDEDRO
C[C@]1([C@@H]2CCC[N@H+](C[C@H](O)CC3(C#N)CCOCC3)C2)COC(=O)N1	ZINC000932024634	1004715657	/nfs/dbraw/zinc/71/56/57/1004715657.db2.gz	SZVDJJJHIVUKAU-BFYDXBDKSA-N	1	0	351.447	1.268	20	30		FDEDRO
C[C@]1([C@@H]2CCC[N@H+](CC(=O)NCc3cccc(C#N)c3)C2)COC(=O)N1	ZINC000932027538	1004716449	/nfs/dbraw/zinc/71/64/49/1004716449.db2.gz	QNOKAIGWQLWQKT-VQIMIIECSA-N	1	0	356.426	1.385	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c3n(c(=O)n1C)CCCC3)C2	ZINC001111023299	1004761887	/nfs/dbraw/zinc/76/18/87/1004761887.db2.gz	DBMZXQNAVMJBAW-OAGGEKHMSA-N	1	0	358.486	1.824	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC([C@@]2(C)COC(=O)N2)CC1	ZINC000932089847	1004764113	/nfs/dbraw/zinc/76/41/13/1004764113.db2.gz	MQEUNWVYUZVVIM-KBXCAEBGSA-N	1	0	362.474	1.928	20	30		FDEDRO
N#Cc1cc(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c(F)cc1F	ZINC000932208925	1004830892	/nfs/dbraw/zinc/83/08/92/1004830892.db2.gz	KOEMPVAKURHRHF-HOTGVXAUSA-N	1	0	350.369	1.899	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1C#N	ZINC000932477219	1004979641	/nfs/dbraw/zinc/97/96/41/1004979641.db2.gz	VXMXPJJSGNVVST-GOSISDBHSA-N	1	0	354.454	1.570	20	30		FDEDRO
CC(C)(C)OC(=O)NC[C@H]1CC2(CO1)CC[NH+](C[C@H](O)CC#N)CC2	ZINC000932678916	1005089479	/nfs/dbraw/zinc/08/94/79/1005089479.db2.gz	SXCTXQYPWAJKHI-HUUCEWRRSA-N	1	0	353.463	1.657	20	30		FDEDRO
N#CC[C@H](NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C(F)(F)F	ZINC000932911680	1005240114	/nfs/dbraw/zinc/24/01/14/1005240114.db2.gz	VIZKCXMBJGFKEW-CABCVRRESA-N	1	0	370.375	1.897	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH+]1CCC(S(=O)(=O)N2CCCCC2)CC1	ZINC000933089513	1005345308	/nfs/dbraw/zinc/34/53/08/1005345308.db2.gz	MPOQBIUKGGJJTB-UHFFFAOYSA-N	1	0	370.519	1.029	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)c1cccnc1)C2	ZINC001111051479	1005523714	/nfs/dbraw/zinc/52/37/14/1005523714.db2.gz	LGRKAMMVRYHNHN-DDBAPUKQSA-N	1	0	356.470	1.888	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)CCC1	ZINC000933297448	1005535379	/nfs/dbraw/zinc/53/53/79/1005535379.db2.gz	JTQBJFRUPKLMHJ-UHFFFAOYSA-N	1	0	353.466	1.943	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)CCC1	ZINC000933301381	1005535384	/nfs/dbraw/zinc/53/53/84/1005535384.db2.gz	FISDDPAZJOURGS-INIZCTEOSA-N	1	0	352.500	1.480	20	30		FDEDRO
C[C@](CO)(Cc1ccccc1F)[NH2+]CC(=O)NCc1ccc(C#N)cc1	ZINC000933433732	1005556274	/nfs/dbraw/zinc/55/62/74/1005556274.db2.gz	BPZIFLJWYWUULM-HXUWFJFHSA-N	1	0	355.413	1.897	20	30		FDEDRO
C[C@](CO)(Cc1ccc(F)cc1)[NH2+]CC(=O)NCc1ccc(C#N)cc1	ZINC000933438021	1005557318	/nfs/dbraw/zinc/55/73/18/1005557318.db2.gz	HIVRJKRZXFHGRB-HXUWFJFHSA-N	1	0	355.413	1.897	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(N3CCCOC3=O)CC2)cc1	ZINC000933616954	1005589598	/nfs/dbraw/zinc/58/95/98/1005589598.db2.gz	UBYYIADRTKNCFC-GOSISDBHSA-N	1	0	373.453	1.799	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)CN2CCO[C@@H](c3ccc(C#N)cc3)C2)CC1	ZINC000933626568	1005591591	/nfs/dbraw/zinc/59/15/91/1005591591.db2.gz	DUDPTHKCWKJXMM-HXUWFJFHSA-N	1	0	370.497	1.921	20	30		FDEDRO
CC(C)(C)OC(=O)NCCOCC[NH+]1CCC2(CC1)CC(=O)C=CO2	ZINC000933647162	1005597961	/nfs/dbraw/zinc/59/79/61/1005597961.db2.gz	XAQNDLONBBTYKE-UHFFFAOYSA-N	1	0	354.447	1.865	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCOC[C@H]2C[C@H]2CCOC2)cc1	ZINC000933666012	1005602816	/nfs/dbraw/zinc/60/28/16/1005602816.db2.gz	LAKUKUNDYUAHQH-GUDVDZBRSA-N	1	0	360.454	1.620	20	30		FDEDRO
C=CCn1cc2ccc(NC(=O)N[C@H](C)CN3CC[NH+](C)CC3)cc2n1	ZINC000933685427	1005608411	/nfs/dbraw/zinc/60/84/11/1005608411.db2.gz	DKPHRZXWKMXQBU-OAHLLOKOSA-N	1	0	356.474	1.980	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)NCC[N@@H+](CC)CCC)c1	ZINC000933997530	1005676695	/nfs/dbraw/zinc/67/66/95/1005676695.db2.gz	MHTPEIIJNMJYMX-UHFFFAOYSA-N	1	0	350.484	1.945	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1C(=O)CNC1=O	ZINC001111072850	1005732239	/nfs/dbraw/zinc/73/22/39/1005732239.db2.gz	WKRGHMNENINXTO-KFWWJZLASA-N	1	0	362.474	1.252	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NC[C@@H](O)Cc3ccccc3)=[NH+]C[C@@H]2C1	ZINC000089120796	1006011850	/nfs/dbraw/zinc/01/18/50/1006011850.db2.gz	YGNKZVCSXGAPCS-SJORKVTESA-N	1	0	374.485	1.471	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCC(C)C	ZINC001111107043	1006076934	/nfs/dbraw/zinc/07/69/34/1006076934.db2.gz	GQCBTUMAIFVAHL-MKXGPGLRSA-N	1	0	365.518	1.851	20	30		FDEDRO
C[C@H](CC#N)N(C)CN1C(=O)N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O	ZINC000246066852	1006381982	/nfs/dbraw/zinc/38/19/82/1006381982.db2.gz	BCSAQMNCVRCBLV-OXQOHEQNSA-N	1	0	369.469	1.764	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH]c(=O)c1=O)C2	ZINC001111152210	1006486407	/nfs/dbraw/zinc/48/64/07/1006486407.db2.gz	SBHFYAXQWRSDFS-JJXSEGSLSA-N	1	0	360.458	1.003	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1	ZINC000954378540	1006646661	/nfs/dbraw/zinc/64/66/61/1006646661.db2.gz	SIFHLPFTQOBYHF-KSZLIROESA-N	1	0	363.502	1.511	20	30		FDEDRO
C=CCN(CC=C)C(=O)Cn1cc(-c2cccc(NC(=O)C[NH2+]C)c2)nn1	ZINC000640791340	1006646925	/nfs/dbraw/zinc/64/69/25/1006646925.db2.gz	BNDQHQQFZHEZPA-UHFFFAOYSA-N	1	0	368.441	1.304	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@H](CC)[NH+](C)C)C1	ZINC000954379118	1006647531	/nfs/dbraw/zinc/64/75/31/1006647531.db2.gz	AGGYDVFOVKBGEF-ULQDDVLXSA-N	1	0	351.491	1.367	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c(C)cc(C)nc1=O)C2	ZINC001111186948	1006738736	/nfs/dbraw/zinc/73/87/36/1006738736.db2.gz	AMUJPWYFJIPYFD-HPBDAGMYSA-N	1	0	358.486	1.936	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CCCC(=O)N2)C3)c1	ZINC001095730442	1006769320	/nfs/dbraw/zinc/76/93/20/1006769320.db2.gz	IVWKDZWVTQXXAO-RDGPPVDQSA-N	1	0	366.465	1.839	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1	ZINC000954787546	1007024965	/nfs/dbraw/zinc/02/49/65/1007024965.db2.gz	IDBUNTBHPWVGCA-SQNIBIBYSA-N	1	0	363.502	1.367	20	30		FDEDRO
C#CCOc1ccccc1C[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1	ZINC000047799064	1007093563	/nfs/dbraw/zinc/09/35/63/1007093563.db2.gz	IFSLKDXMILLMAQ-UHFFFAOYSA-N	1	0	351.406	1.204	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH+]1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1	ZINC000047892839	1007111791	/nfs/dbraw/zinc/11/17/91/1007111791.db2.gz	JXSKBFMQBJUZHS-OAHLLOKOSA-N	1	0	359.445	1.600	20	30		FDEDRO
O=C(NCC#Cc1ccccc1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000641750152	1007132354	/nfs/dbraw/zinc/13/23/54/1007132354.db2.gz	YBNMXXJMLCLDSR-FQEVSTJZSA-N	1	0	370.497	1.134	20	30		FDEDRO
CC#CC[C@@H](CO)[NH2+]Cc1cn(C)nc1CN1C(=O)c2ccccc2C1=O	ZINC000641767417	1007138820	/nfs/dbraw/zinc/13/88/20/1007138820.db2.gz	KRGKWFIQENJEMM-HNNXBMFYSA-N	1	0	366.421	1.080	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC000956978219	1007436868	/nfs/dbraw/zinc/43/68/68/1007436868.db2.gz	PQWJXVVZSULTIF-FSPWUOQZSA-N	1	0	369.469	1.337	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3cccc(C)c3)C[C@H]2C)CC1	ZINC000947314343	1007507826	/nfs/dbraw/zinc/50/78/26/1007507826.db2.gz	XXEZEKAHNOZSRR-YLJYHZDGSA-N	1	0	367.493	1.917	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3ccccc3O)C[C@H]2C)CC1	ZINC000947608094	1007746153	/nfs/dbraw/zinc/74/61/53/1007746153.db2.gz	SENFOCGGBOKZAZ-CRAIPNDOSA-N	1	0	369.465	1.314	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1	ZINC001006425881	1007757056	/nfs/dbraw/zinc/75/70/56/1007757056.db2.gz	IKWMLVHPOODSLE-XWIAVFTESA-N	1	0	368.437	1.502	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1	ZINC000249151215	1008105833	/nfs/dbraw/zinc/10/58/33/1008105833.db2.gz	HIBGUZKOFLZNGR-XJKSGUPXSA-N	1	0	374.416	1.609	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1	ZINC000956500798	1008183472	/nfs/dbraw/zinc/18/34/72/1008183472.db2.gz	IZNOWJPZSCEKLT-ZACQAIPSSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCn1cc(C(=O)NCc2ccc(OCC[NH+](C)C)c(OC)c2)nn1	ZINC000648759837	1008593550	/nfs/dbraw/zinc/59/35/50/1008593550.db2.gz	WJOUNOONMQLJEU-UHFFFAOYSA-N	1	0	359.430	1.343	20	30		FDEDRO
C=CCn1cc(C(=O)N(Cc2ccncc2)C[C@@H]2CCC[N@H+]2CC)nn1	ZINC000648777782	1008613237	/nfs/dbraw/zinc/61/32/37/1008613237.db2.gz	VXJWNCTYKGFRBZ-KRWDZBQOSA-N	1	0	354.458	1.986	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1	ZINC000305253254	1008941428	/nfs/dbraw/zinc/94/14/28/1008941428.db2.gz	JKMUEMFTYJEQGU-RRFJBIMHSA-N	1	0	364.490	1.811	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC000950253805	1008962141	/nfs/dbraw/zinc/96/21/41/1008962141.db2.gz	LQAPWRKDHPWCQB-HSALFYBXSA-N	1	0	367.493	1.658	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(CC#Cc4ccc(F)cc4)C[C@H]32)CC[N@@H+]1C	ZINC000959970037	1009231026	/nfs/dbraw/zinc/23/10/26/1009231026.db2.gz	YXPDWAGPCSOKSV-WRTQPQOASA-N	1	0	369.484	1.954	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(Cc4ccc(C#N)cc4F)C[C@H]32)CC[N@@H+]1C	ZINC000959978167	1009244863	/nfs/dbraw/zinc/24/48/63/1009244863.db2.gz	ZEFDGXUGWQVBEU-FZWVUDROSA-N	1	0	356.445	1.584	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c(C)ccn2C)C1	ZINC000950648552	1009468383	/nfs/dbraw/zinc/46/83/83/1009468383.db2.gz	QIAJDPHVFCXOMU-ZACQAIPSSA-N	1	0	356.470	1.008	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@H](CC)C2)c1	ZINC000647268213	1009569972	/nfs/dbraw/zinc/56/99/72/1009569972.db2.gz	XBTPAKHVHXLMSB-CJNGLKHVSA-N	1	0	351.472	1.350	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occ3c1CCCC3)C2	ZINC001111319711	1009570565	/nfs/dbraw/zinc/57/05/65/1009570565.db2.gz	BMQKGFOPBBREBD-UWIFEVILSA-N	1	0	369.465	1.631	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1cncc(OC)n1	ZINC000960139235	1009583767	/nfs/dbraw/zinc/58/37/67/1009583767.db2.gz	LRAJTNJOOKTDRJ-BBWFWOEESA-N	1	0	360.458	1.547	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCn2cncn2)CCOCC1	ZINC001111330911	1009673049	/nfs/dbraw/zinc/67/30/49/1009673049.db2.gz	ZNWGONJEUVECFZ-ZACQAIPSSA-N	1	0	359.474	1.373	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@H](O)c2ccc(F)cc2)CC1	ZINC000303911881	1009689832	/nfs/dbraw/zinc/68/98/32/1009689832.db2.gz	ZWOXUCQOILHFAH-HNNXBMFYSA-N	1	0	366.437	1.727	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCO[C@H]1c1nccn1C	ZINC000960342479	1010002789	/nfs/dbraw/zinc/00/27/89/1010002789.db2.gz	NILAVJUNEXQUOC-DFBDCSAJSA-N	1	0	358.486	1.900	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)s1	ZINC000960379589	1010074593	/nfs/dbraw/zinc/07/45/93/1010074593.db2.gz	BIQOUVLSKWTGAL-NPCUJANDSA-N	1	0	353.451	1.693	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cn1	ZINC000950996176	1010266210	/nfs/dbraw/zinc/26/62/10/1010266210.db2.gz	JIWMNKIYCHZOOJ-CEXWTWQISA-N	1	0	368.481	1.514	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](NC(=O)[C@@H]3C[C@H]3C3CCC3)C2)CC1	ZINC000951079232	1010428635	/nfs/dbraw/zinc/42/86/35/1010428635.db2.gz	STWJIDBTXPLSPE-HSALFYBXSA-N	1	0	371.525	1.875	20	30		FDEDRO
C=CCn1cc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)nn1	ZINC000648326361	1010436567	/nfs/dbraw/zinc/43/65/67/1010436567.db2.gz	HUGSJIPDFGQQKP-UHFFFAOYSA-N	1	0	355.446	1.642	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1	ZINC000951094581	1010442406	/nfs/dbraw/zinc/44/24/06/1010442406.db2.gz	GOEAFVKSCVDGCD-IKGGRYGDSA-N	1	0	363.502	1.559	20	30		FDEDRO
C[C@H](CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1)CN1CCOCC1	ZINC000304737409	1010476242	/nfs/dbraw/zinc/47/62/42/1010476242.db2.gz	AKRXARUIQWJRQI-MRXNPFEDSA-N	1	0	363.481	1.231	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C3(CF)CCC3)C[C@H]2C)CC1	ZINC000959680978	1010575666	/nfs/dbraw/zinc/57/56/66/1010575666.db2.gz	YJLWBCZDMBAAAY-NVXWUHKLSA-N	1	0	363.477	1.435	20	30		FDEDRO
COCCOCCCCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000304998642	1010689437	/nfs/dbraw/zinc/68/94/37/1010689437.db2.gz	GOCOBCGODJWMSZ-OAHLLOKOSA-N	1	0	370.494	1.310	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)OCCO3)C2	ZINC001111389876	1011009309	/nfs/dbraw/zinc/00/93/09/1011009309.db2.gz	HLFFOGYOFUOQOR-ZACQAIPSSA-N	1	0	358.438	1.996	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2cncc(OC)n2)C1	ZINC000962414241	1011242614	/nfs/dbraw/zinc/24/26/14/1011242614.db2.gz	IZAGUWFVFFASGT-WINAAZSOSA-N	1	0	360.458	1.451	20	30		FDEDRO
C[N@@H+](Cc1ccc(OCC#N)cc1)C[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1C(N)=O	ZINC000960873400	1011586776	/nfs/dbraw/zinc/58/67/76/1011586776.db2.gz	FSAHUUUGSWDNOJ-JQHSSLGASA-N	1	0	370.453	1.133	20	30		FDEDRO
COc1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@H]2C[C@H]2C(N)=O)cc1C#N	ZINC000960874857	1011590862	/nfs/dbraw/zinc/59/08/62/1011590862.db2.gz	JFDNEUBZXYWNBS-BBWFWOEESA-N	1	0	370.453	1.111	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCCC1	ZINC000963117874	1011853154	/nfs/dbraw/zinc/85/31/54/1011853154.db2.gz	WJEGDNFPJFDSIB-OWSLCNJRSA-N	1	0	361.486	1.265	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C	ZINC000952804902	1012052739	/nfs/dbraw/zinc/05/27/39/1012052739.db2.gz	USQKAFRUHCBNHZ-ILOCAZANSA-N	1	0	361.486	1.264	20	30		FDEDRO
C[NH+]=C(NCc1cc(F)ccc1F)N1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000085297574	1012099995	/nfs/dbraw/zinc/09/99/95/1012099995.db2.gz	QCYAGEGXRSDNIV-MRXNPFEDSA-N	1	0	366.412	1.363	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(c3cncc(C#N)n3)CC2)CC[N@@H+]1C	ZINC001066797781	1012441613	/nfs/dbraw/zinc/44/16/13/1012441613.db2.gz	KWTMHNPYONHETN-BHYGNILZSA-N	1	0	356.474	1.554	20	30		FDEDRO
CN(C)C(=O)[C@H]1CC[C@@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)O1	ZINC000305771508	1012471534	/nfs/dbraw/zinc/47/15/34/1012471534.db2.gz	KNBRQRMGLJFDIS-QWHCGFSZSA-N	1	0	374.363	1.948	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1C[NH+](C[C@@H]2CCNC(=O)CC2)C1	ZINC000953831066	1012560627	/nfs/dbraw/zinc/56/06/27/1012560627.db2.gz	PSHQQYONQISBQP-IEZWGBDMSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]21	ZINC000963850170	1012779450	/nfs/dbraw/zinc/77/94/50/1012779450.db2.gz	FLDIQHWRTTUZRW-TZNCUMHOSA-N	1	0	363.502	1.367	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C(=O)NC)cc3)C[C@H]21	ZINC000961806703	1012865539	/nfs/dbraw/zinc/86/55/39/1012865539.db2.gz	BBJNCJLZNQEBGP-GFEQUFNTSA-N	1	0	369.465	1.184	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOc3ccc(F)cc3)C[C@H]21	ZINC000961838319	1012917034	/nfs/dbraw/zinc/91/70/34/1012917034.db2.gz	XCJVTKIDRHUQGK-GFEQUFNTSA-N	1	0	360.429	1.842	20	30		FDEDRO
C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC000963907239	1012938370	/nfs/dbraw/zinc/93/83/70/1012938370.db2.gz	FTVHHVJTIATXJI-SJJHQCBESA-N	1	0	351.491	1.558	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]CC1CC(NC(=O)[C@]23C[C@H]2COC3)C1	ZINC000961855503	1012947317	/nfs/dbraw/zinc/94/73/17/1012947317.db2.gz	SFVDLCAJMNXDFV-VQEPCJJFSA-N	1	0	355.438	1.588	20	30		FDEDRO
CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000192325450	178109791	/nfs/dbraw/zinc/10/97/91/178109791.db2.gz	DSYMLECCCGXEKH-MAUKXSAKSA-N	1	0	371.485	1.689	20	30		FDEDRO
COC1CC[NH+](C2(CNS(=O)(=O)N(C)[C@H](C)CC#N)CCCC2)CC1	ZINC000509372646	538948325	/nfs/dbraw/zinc/94/83/25/538948325.db2.gz	OLUBXTUCVUMSOT-OAHLLOKOSA-N	1	0	372.535	1.478	20	30		FDEDRO
C[C@@H]1CN(C[C@H]2CCCN2S(=O)(=O)c2ccc(C#N)nc2)C[C@H](C)O1	ZINC000245199804	178352467	/nfs/dbraw/zinc/35/24/67/178352467.db2.gz	HYOIBFOGRKYHPO-IJEWVQPXSA-N	1	0	364.471	1.216	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(C#N)cc1F	ZINC000512631192	538977841	/nfs/dbraw/zinc/97/78/41/538977841.db2.gz	PUVOUXUFFOGTRW-GOEBONIOSA-N	1	0	360.433	1.281	20	30		FDEDRO
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)NCC1CC[NH2+]CC1	ZINC000518348466	539410834	/nfs/dbraw/zinc/41/08/34/539410834.db2.gz	OHNIUSUZUXCHAK-ZWKOTPCHSA-N	1	0	354.454	1.401	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)CC1	ZINC000528288514	539744145	/nfs/dbraw/zinc/74/41/45/539744145.db2.gz	WYDXCOJANUJWHD-GOSISDBHSA-N	1	0	368.485	1.802	20	30		FDEDRO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1	ZINC000268272832	180041480	/nfs/dbraw/zinc/04/14/80/180041480.db2.gz	UPPMRNUTFGFZLQ-WBVHZDCISA-N	1	0	356.474	1.514	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1	ZINC000528469639	539759464	/nfs/dbraw/zinc/75/94/64/539759464.db2.gz	ASEGIYUKWIJGBF-QYZOEREBSA-N	1	0	359.470	1.531	20	30		FDEDRO
Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)[nH]c(=O)n1	ZINC000268711099	180147124	/nfs/dbraw/zinc/14/71/24/180147124.db2.gz	ZUFATDAQFBDZDL-UHFFFAOYSA-N	1	0	351.410	1.710	20	30		FDEDRO
COC(=O)N1CC(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1	ZINC000269284752	180263946	/nfs/dbraw/zinc/26/39/46/180263946.db2.gz	NBZSKOVRTKOJTQ-UHFFFAOYSA-N	1	0	371.441	1.226	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1C#N	ZINC000269372891	180287407	/nfs/dbraw/zinc/28/74/07/180287407.db2.gz	JGCWLDRKFUZFTG-CXAGYDPISA-N	1	0	370.453	1.883	20	30		FDEDRO
Cc1cccc(S(=O)(=O)NCC2([NH+]3CCCC3)CCOCC2)c1C#N	ZINC000269641363	180348828	/nfs/dbraw/zinc/34/88/28/180348828.db2.gz	DKJZGOYXUKUROO-UHFFFAOYSA-N	1	0	363.483	1.790	20	30		FDEDRO
CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)C1	ZINC000530230903	539915198	/nfs/dbraw/zinc/91/51/98/539915198.db2.gz	DISFGWSTNVXKQL-AKVMLJAXSA-N	1	0	350.484	1.967	20	30		FDEDRO
CCCCN(C)C(=O)C1CC[NH+](CC(=O)N(CC)C[C@H](C)C#N)CC1	ZINC000532098346	540137861	/nfs/dbraw/zinc/13/78/61/540137861.db2.gz	LVGCOLVWEUEIQG-MRXNPFEDSA-N	1	0	350.507	1.965	20	30		FDEDRO
COC(=O)CC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C[C@H]1CCCO1	ZINC000533435595	540247023	/nfs/dbraw/zinc/24/70/23/540247023.db2.gz	MRHMGHKBKWXOJM-QGZVFWFLSA-N	1	0	359.426	1.931	20	30		FDEDRO
Cc1nc(C)n(C[C@H]2CN(CCC(=O)Nc3ccccc3C#N)CCO2)n1	ZINC000533441262	540247820	/nfs/dbraw/zinc/24/78/20/540247820.db2.gz	QHVZSYTWZLDCSS-QGZVFWFLSA-N	1	0	368.441	1.496	20	30		FDEDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1	ZINC000535758566	540505023	/nfs/dbraw/zinc/50/50/23/540505023.db2.gz	VVDLIRHDHUGSBD-IBGZPJMESA-N	1	0	353.470	1.603	20	30		FDEDRO
C[NH2+]CCCc1[n-][nH]c(=NC(=O)[C@H](c2ccccc2)n2cccn2)c1C#N	ZINC000536304502	540577008	/nfs/dbraw/zinc/57/70/08/540577008.db2.gz	BUZUFRLPOOVCCY-KRWDZBQOSA-N	1	0	363.425	1.858	20	30		FDEDRO
C=CCCOCCCCC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000537187858	540698001	/nfs/dbraw/zinc/69/80/01/540698001.db2.gz	CAGUWRPLJHJIDA-QGZVFWFLSA-N	1	0	351.491	1.514	20	30		FDEDRO
CC[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C1CCOCC1	ZINC000537223223	540703309	/nfs/dbraw/zinc/70/33/09/540703309.db2.gz	FRAAISOBJBBWJJ-ROUUACIJSA-N	1	0	350.507	1.474	20	30		FDEDRO
CCO[C@H]1C[C@]([NH3+])(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1(C)C	ZINC000275385194	181305742	/nfs/dbraw/zinc/30/57/42/181305742.db2.gz	AEMFYVCRLKUUOL-KXBFYZLASA-N	1	0	357.458	1.134	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1	ZINC000538252770	540832387	/nfs/dbraw/zinc/83/23/87/540832387.db2.gz	NJVHPJYRNZZAIK-DLBZAZTESA-N	1	0	358.486	1.744	20	30		FDEDRO
N#Cc1ccccc1N1CCC(NC(=O)NC[C@H]2C[NH2+]CCCO2)CC1	ZINC000892170078	781949174	/nfs/dbraw/zinc/94/91/74/781949174.db2.gz	RYEBLCIIPUZROI-QGZVFWFLSA-N	1	0	357.458	1.205	20	30		FDEDRO
COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCC(CC#N)CC2)c(OC)c1	ZINC000541023899	541138286	/nfs/dbraw/zinc/13/82/86/541138286.db2.gz	YTJXUAGMUJHAAO-INIZCTEOSA-N	1	0	362.426	1.847	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCSC[C@@H]2CO)c(OC)c1	ZINC000541326221	541186731	/nfs/dbraw/zinc/18/67/31/541186731.db2.gz	TVVVILHAGVDVCD-HOTGVXAUSA-N	1	0	353.484	1.573	20	30		FDEDRO
CC[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1c(C)nn(C)c1C	ZINC000541597901	541233406	/nfs/dbraw/zinc/23/34/06/541233406.db2.gz	PCTGEPFWTXPQFM-ROUUACIJSA-N	1	0	374.533	1.770	20	30		FDEDRO
CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cc1	ZINC000269467915	674109612	/nfs/dbraw/zinc/10/96/12/674109612.db2.gz	KRIBSOHSAJYVLH-QGZVFWFLSA-N	1	0	364.515	1.798	20	30		FDEDRO
C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)n1cnc(C#N)n1	ZINC000543069038	541529027	/nfs/dbraw/zinc/52/90/27/541529027.db2.gz	YHKUHPXKBGMHMI-CQSZACIVSA-N	1	0	351.414	1.173	20	30		FDEDRO
CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1	ZINC000269642715	674111025	/nfs/dbraw/zinc/11/10/25/674111025.db2.gz	FDUSDSDCZMGAOT-HJYASDQRSA-N	1	0	366.487	1.811	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)[C@@H]1CCCOC1	ZINC000543677766	541632586	/nfs/dbraw/zinc/63/25/86/541632586.db2.gz	GNSJGAJGHOWOGI-QGZVFWFLSA-N	1	0	351.472	1.431	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@H]3CC[N@@H+](C4CC4)C3)C2=O)cc1	ZINC000543723251	541645692	/nfs/dbraw/zinc/64/56/92/541645692.db2.gz	DSCXAJMQISPQCR-MAUKXSAKSA-N	1	0	367.453	1.590	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000283537568	182209545	/nfs/dbraw/zinc/20/95/45/182209545.db2.gz	KFJRZXNTVOGCND-UHFFFAOYSA-N	1	0	356.470	1.942	20	30		FDEDRO
CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)n1cnc(C#N)n1)c1cccc(OC)c1	ZINC000545257459	541915926	/nfs/dbraw/zinc/91/59/26/541915926.db2.gz	VULGQIGWUGAOPQ-PBHICJAKSA-N	1	0	370.457	1.919	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(C#N)cc1	ZINC000284073085	182355794	/nfs/dbraw/zinc/35/57/94/182355794.db2.gz	RLVWGSKNMRWXLO-HZPDHXFCSA-N	1	0	372.469	1.353	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NCc1cccc(C#N)c1	ZINC000284047725	182348136	/nfs/dbraw/zinc/34/81/36/182348136.db2.gz	PWIKPJWHYNIIRD-UHFFFAOYSA-N	1	0	370.478	1.826	20	30		FDEDRO
CC[NH+]1CCC(CCNC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1	ZINC000284102455	182365864	/nfs/dbraw/zinc/36/58/64/182365864.db2.gz	UBYUNBQILWYCPN-HNNXBMFYSA-N	1	0	356.470	1.974	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)NCc1cccc(C#N)c1)c1cccc(F)c1	ZINC000284120523	182371481	/nfs/dbraw/zinc/37/14/81/182371481.db2.gz	VIRJDJNEHGVQDK-GOSISDBHSA-N	1	0	368.412	1.733	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C	ZINC000546002894	542072378	/nfs/dbraw/zinc/07/23/78/542072378.db2.gz	SNNZYWVPYQDLQD-ZIAGYGMSSA-N	1	0	358.442	1.884	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)CC1	ZINC000286403750	183057513	/nfs/dbraw/zinc/05/75/13/183057513.db2.gz	ODOGNGKIZWLMGA-UHFFFAOYSA-N	1	0	372.469	1.134	20	30		FDEDRO
C[N@@H+]1CC[C@@](O)(CNC(=O)c2occc2COc2cccc(C#N)c2)C1	ZINC000546570209	542167662	/nfs/dbraw/zinc/16/76/62/542167662.db2.gz	WWOCBCKELLHATJ-LJQANCHMSA-N	1	0	355.394	1.527	20	30		FDEDRO
Cc1oc(NC(=O)[C@@H](C)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c(C#N)c1C	ZINC000295356434	184062318	/nfs/dbraw/zinc/06/23/18/184062318.db2.gz	OEBADFLUNVCEDU-PWSUYJOCSA-N	1	0	359.386	1.651	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c(Cl)c1	ZINC000295950294	184116361	/nfs/dbraw/zinc/11/63/61/184116361.db2.gz	AZCMHSOFANQBOJ-CYBMUJFWSA-N	1	0	364.833	1.113	20	30		FDEDRO
N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCCN(CCCO)C1	ZINC000296148741	184134796	/nfs/dbraw/zinc/13/47/96/184134796.db2.gz	JQBMZCXZIQVKOW-AWEZNQCLSA-N	1	0	357.863	1.337	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1	ZINC000297961677	184364646	/nfs/dbraw/zinc/36/46/46/184364646.db2.gz	SQYVWJAKNIUGER-IBGZPJMESA-N	1	0	368.481	1.707	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C	ZINC000547318626	542311142	/nfs/dbraw/zinc/31/11/42/542311142.db2.gz	CBIICSJILLBNED-ZIAGYGMSSA-N	1	0	353.430	2.004	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C	ZINC000547416837	542336029	/nfs/dbraw/zinc/33/60/29/542336029.db2.gz	PAKFCAXPXUZTHN-KBPBESRZSA-N	1	0	358.442	1.884	20	30		FDEDRO
C[NH+]1CCC(CCNC(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1	ZINC000184639863	177640116	/nfs/dbraw/zinc/64/01/16/177640116.db2.gz	PJHSYMZHSDWCSX-UHFFFAOYSA-N	1	0	353.430	1.992	20	30		FDEDRO
CC[NH+]1CCN(c2cccc(NC(=O)CNc3ccc(C#N)cn3)c2)CC1	ZINC000548112188	542558519	/nfs/dbraw/zinc/55/85/19/542558519.db2.gz	OAFYLPYITMRMKL-UHFFFAOYSA-N	1	0	364.453	2.146	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)cc1C#N	ZINC000129449414	258262347	/nfs/dbraw/zinc/26/23/47/258262347.db2.gz	AGDCQZWWFKJDFJ-CQSZACIVSA-N	1	0	366.464	1.553	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@@H](O)Cc2cccc(C(F)(F)F)c2)CC1	ZINC000548304010	542617014	/nfs/dbraw/zinc/61/70/14/542617014.db2.gz	MFKZTFRKJZBUAS-AWEZNQCLSA-N	1	0	355.360	1.713	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1	ZINC000173147039	258291861	/nfs/dbraw/zinc/29/18/61/258291861.db2.gz	AGRFRZDAHPFXJM-HNNXBMFYSA-N	1	0	360.433	1.997	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1	ZINC000079065689	132192588	/nfs/dbraw/zinc/19/25/88/132192588.db2.gz	LHXCBXSJRBXATN-UHFFFAOYSA-N	1	0	354.458	1.412	20	30		FDEDRO
CN(C)C(=O)c1ccc(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cc1	ZINC000548908456	542803108	/nfs/dbraw/zinc/80/31/08/542803108.db2.gz	ULPZVWYPCCJJTP-UHFFFAOYSA-N	1	0	371.462	1.824	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]CCn2cnc3ccccc32)c1	ZINC000549110886	542838452	/nfs/dbraw/zinc/83/84/52/542838452.db2.gz	CBHRIOBGYLXJTR-UHFFFAOYSA-N	1	0	354.435	1.971	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000549260598	542859675	/nfs/dbraw/zinc/85/96/75/542859675.db2.gz	GZPGQVNPNHPLAC-DLBZAZTESA-N	1	0	361.490	1.517	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1	ZINC000550025087	542992774	/nfs/dbraw/zinc/99/27/74/542992774.db2.gz	IFMFTMYLFSCJJO-OAHLLOKOSA-N	1	0	365.499	1.662	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc3cccnc3c(OC)c2)CC1	ZINC000550454155	543105790	/nfs/dbraw/zinc/10/57/90/543105790.db2.gz	IKEBQXLPXXKJLQ-UHFFFAOYSA-N	1	0	368.437	1.949	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1)C(C)C	ZINC000550834784	543184043	/nfs/dbraw/zinc/18/40/43/543184043.db2.gz	OEUIMVKPTCFBLS-XMTFNYHQSA-N	1	0	365.518	1.873	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)c1ccc(C#N)cc1	ZINC000550979558	543210465	/nfs/dbraw/zinc/21/04/65/543210465.db2.gz	NIPPTBIHCXXLIU-CQSZACIVSA-N	1	0	354.454	1.726	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1	ZINC000552504345	543478256	/nfs/dbraw/zinc/47/82/56/543478256.db2.gz	SRAGBHBIICIUMO-KRWDZBQOSA-N	1	0	367.559	1.992	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2nc(C)c3ccccc3n2)CC1	ZINC000552853919	543527450	/nfs/dbraw/zinc/52/74/50/543527450.db2.gz	AQTSPXTWSVJIJS-UHFFFAOYSA-N	1	0	367.453	1.321	20	30		FDEDRO
CC[NH+]1CCC(CCNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1	ZINC000074714833	172085470	/nfs/dbraw/zinc/08/54/70/172085470.db2.gz	STEREPSFYMTGID-UHFFFAOYSA-N	1	0	370.501	1.907	20	30		FDEDRO
C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000077540605	172127927	/nfs/dbraw/zinc/12/79/27/172127927.db2.gz	FBLQITNKMGJNNS-KRWDZBQOSA-N	1	0	368.412	1.925	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@@H](N2CC[NH+](C[C@@H]3CCOC3)CC2)C1=O	ZINC000083250091	172204624	/nfs/dbraw/zinc/20/46/24/172204624.db2.gz	VISCDNIECHSMRA-GOEBONIOSA-N	1	0	360.483	1.379	20	30		FDEDRO
Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](Cc2cnc3ccc(C#N)cn23)C1	ZINC000092010968	172292172	/nfs/dbraw/zinc/29/21/72/172292172.db2.gz	YRRNOEPGPGIOMR-YJBOKZPZSA-N	1	0	350.426	1.885	20	30		FDEDRO
N#Cc1ccccc1S(=O)(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000127535147	173080683	/nfs/dbraw/zinc/08/06/83/173080683.db2.gz	XTVSIXYQOGBDPN-IAGOWNOFSA-N	1	0	363.483	1.604	20	30		FDEDRO
N#Cc1ccccc1S(=O)(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1	ZINC000127535357	173080935	/nfs/dbraw/zinc/08/09/35/173080935.db2.gz	XTVSIXYQOGBDPN-DLBZAZTESA-N	1	0	363.483	1.604	20	30		FDEDRO
CCC(=O)N1CC[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000128529735	173112324	/nfs/dbraw/zinc/11/23/24/173112324.db2.gz	SOFYPXAVSMDSPT-GOSISDBHSA-N	1	0	356.470	1.707	20	30		FDEDRO
N#Cc1cccc(OCCC[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1	ZINC000135729983	173352396	/nfs/dbraw/zinc/35/23/96/173352396.db2.gz	IGGUCHYWTILVLU-SFHVURJKSA-N	1	0	363.483	1.827	20	30		FDEDRO
N#Cc1ccc(OCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1	ZINC000160343403	173707808	/nfs/dbraw/zinc/70/78/08/173707808.db2.gz	RTPSLKUPBSSPKE-MOPGFXCFSA-N	1	0	357.454	1.821	20	30		FDEDRO
C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000175965543	174041024	/nfs/dbraw/zinc/04/10/24/174041024.db2.gz	WREYFNZUTMUKGO-KRWDZBQOSA-N	1	0	368.412	1.925	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCSC(C)(C)C3)CC2)o1	ZINC000177511397	174138043	/nfs/dbraw/zinc/13/80/43/174138043.db2.gz	UEGWHZGJPWGIKD-UHFFFAOYSA-N	1	0	363.487	1.331	20	30		FDEDRO
N#Cc1cc(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)c[nH]1	ZINC000181204781	174211764	/nfs/dbraw/zinc/21/17/64/174211764.db2.gz	MSADIAHRGBKRAI-UHFFFAOYSA-N	1	0	351.454	1.824	20	30		FDEDRO
Cn1cc(CN2CC[NH+](CC(C)(C)O)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000180056845	258361257	/nfs/dbraw/zinc/36/12/57/258361257.db2.gz	VRYXVNMIQDCYFX-UHFFFAOYSA-N	1	0	353.470	1.847	20	30		FDEDRO
C[C@@H]([NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(C#N)cc1	ZINC000180145477	258362923	/nfs/dbraw/zinc/36/29/23/258362923.db2.gz	FABOLNQYPBUDIE-MRXNPFEDSA-N	1	0	364.453	1.738	20	30		FDEDRO
N#Cc1cnc2ccccc2c1N1CC[NH+](CCCN2CCOCC2)CC1	ZINC000173595862	258304500	/nfs/dbraw/zinc/30/45/00/258304500.db2.gz	LEUNLYUGVLLPNS-UHFFFAOYSA-N	1	0	365.481	1.951	20	30		FDEDRO
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000177069979	258326083	/nfs/dbraw/zinc/32/60/83/258326083.db2.gz	CTDHPCOYESSGPU-IEBWSBKVSA-N	1	0	357.454	1.817	20	30		FDEDRO
CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000178776454	258335383	/nfs/dbraw/zinc/33/53/83/258335383.db2.gz	DKOQXNZDYLZNPU-QGZVFWFLSA-N	1	0	357.454	1.896	20	30		FDEDRO
Cc1nc(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ccc1C#N	ZINC000179226547	258346212	/nfs/dbraw/zinc/34/62/12/258346212.db2.gz	ULYFSKXUOZUFNS-JWTNVVGKSA-N	1	0	353.470	1.645	20	30		FDEDRO
CC(C)[C@@H](C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)N1CCOCC1	ZINC000553490824	543646231	/nfs/dbraw/zinc/64/62/31/543646231.db2.gz	PZPRQOHMGWOQJP-UYAOXDASSA-N	1	0	361.486	1.439	20	30		FDEDRO
CN(CCC(=O)N1CCN(c2cnccc2C#N)CC1)c1cc[nH+]cc1	ZINC000553354796	543616820	/nfs/dbraw/zinc/61/68/20/543616820.db2.gz	ZAQLALKLOWOKDQ-UHFFFAOYSA-N	1	0	350.426	1.523	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(C#N)CC2)CC[N@@H+]1Cc1ccccc1	ZINC000553528150	543652159	/nfs/dbraw/zinc/65/21/59/543652159.db2.gz	NLWPFYXJZUNUIC-APWZRJJASA-N	1	0	368.481	1.918	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2SCC)CC1	ZINC000553669542	543677894	/nfs/dbraw/zinc/67/78/94/543677894.db2.gz	GKOYHCJJYYRFJK-HOTGVXAUSA-N	1	0	353.532	1.934	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](COC)Cc2ccccc2)CC1	ZINC000553672305	543678517	/nfs/dbraw/zinc/67/85/17/543678517.db2.gz	POHOXOFQLQWDBI-IBGZPJMESA-N	1	0	373.497	1.517	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)NCC[N@H+]1CC=C(C)CC1	ZINC000553982941	543728696	/nfs/dbraw/zinc/72/86/96/543728696.db2.gz	HQYWFJRAPUCTKZ-UHFFFAOYSA-N	1	0	357.454	1.636	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCC1CC[NH+](CC)CC1	ZINC000553897276	543713576	/nfs/dbraw/zinc/71/35/76/543713576.db2.gz	FCIBDBNODWQDSB-IAGOWNOFSA-N	1	0	351.491	1.322	20	30		FDEDRO
COc1ccccc1[C@@H](C[NH2+]C[C@H]1CNc2c(C#N)cnn2C1)N(C)C	ZINC000554523474	543816565	/nfs/dbraw/zinc/81/65/65/543816565.db2.gz	LEPDLJQUZAGETR-WMLDXEAASA-N	1	0	354.458	1.698	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)c1C#N	ZINC000555144354	543918352	/nfs/dbraw/zinc/91/83/52/543918352.db2.gz	JRTOSOCXAKNVAJ-HZPDHXFCSA-N	1	0	374.514	1.782	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1	ZINC000555592353	543982635	/nfs/dbraw/zinc/98/26/35/543982635.db2.gz	OJMIVBZMQHEHGD-MOPGFXCFSA-N	1	0	372.469	1.576	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1	ZINC000556122652	544100604	/nfs/dbraw/zinc/10/06/04/544100604.db2.gz	HTSJJRCJPMVRPZ-WMZOPIPTSA-N	1	0	365.518	1.855	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000556692164	544177028	/nfs/dbraw/zinc/17/70/28/544177028.db2.gz	GDXWIDASPCEPEG-OALUTQOASA-N	1	0	364.449	1.875	20	30		FDEDRO
N#CCC[C@H](C#N)C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1	ZINC000556793573	544202513	/nfs/dbraw/zinc/20/25/13/544202513.db2.gz	DCCRBVJPORNWFC-KGLIPLIRSA-N	1	0	352.485	1.792	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC000557100940	544244842	/nfs/dbraw/zinc/24/48/42/544244842.db2.gz	GFYPQXUPSLXUTH-AWEZNQCLSA-N	1	0	359.430	1.276	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1	ZINC000557135011	544251231	/nfs/dbraw/zinc/25/12/31/544251231.db2.gz	OCSFJYDEROKMFK-ZACQAIPSSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCS[C@@H](C(C)C)C2)CC1	ZINC000557731937	544337768	/nfs/dbraw/zinc/33/77/68/544337768.db2.gz	YBTPINAQSUUVEO-MRXNPFEDSA-N	1	0	353.532	1.743	20	30		FDEDRO
N#Cc1ccc(SCC(=O)NCC(=O)NCC[NH+]2CCCCCC2)cc1	ZINC000558351383	544413365	/nfs/dbraw/zinc/41/33/65/544413365.db2.gz	OHICTTWQPLTOGL-UHFFFAOYSA-N	1	0	374.510	1.759	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)C1CCN(CC(F)(F)F)CC1	ZINC000559234777	544610474	/nfs/dbraw/zinc/61/04/74/544610474.db2.gz	OKZLSOJJRYYTCF-NSHDSACASA-N	1	0	350.385	1.251	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O	ZINC000560321207	544953204	/nfs/dbraw/zinc/95/32/04/544953204.db2.gz	XHMYIEQGSIBFAH-XYPHTWIQSA-N	1	0	370.453	1.745	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)COc2ccc(C#N)cc2)CC1	ZINC000299672257	259015369	/nfs/dbraw/zinc/01/53/69/259015369.db2.gz	YXHABQMLXPSVRL-HDICACEKSA-N	1	0	370.497	1.954	20	30		FDEDRO
C[C@@H](O)C[N@@H+]1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)[C@@H](C)C1	ZINC000302762129	259045660	/nfs/dbraw/zinc/04/56/60/259045660.db2.gz	KNPHGMKJNYSIJE-QWHCGFSZSA-N	1	0	355.398	1.906	20	30		FDEDRO
CS(=O)(=O)NC[C@H]1CCC[N@H+](CCC(=O)Nc2sccc2C#N)C1	ZINC000330455516	259145440	/nfs/dbraw/zinc/14/54/40/259145440.db2.gz	OHAOOEFOISSBMD-GFCCVEGCSA-N	1	0	370.500	1.210	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@H]1[NH+](C)C	ZINC000330755074	259161368	/nfs/dbraw/zinc/16/13/68/259161368.db2.gz	FWWSGJLOQKXGGT-CHWSQXEVSA-N	1	0	359.904	1.878	20	30		FDEDRO
C[C@H]([NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O)C(=O)Nc1ccccc1C#N	ZINC000331171049	259179962	/nfs/dbraw/zinc/17/99/62/259179962.db2.gz	IGSBGHYLZGLJMA-VBNZEHGJSA-N	1	0	364.471	1.335	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2ccc(C#N)c(C)c2)CC1	ZINC000331271746	259184507	/nfs/dbraw/zinc/18/45/07/259184507.db2.gz	BSFZUKNHCGQMAD-HNNXBMFYSA-N	1	0	350.488	1.171	20	30		FDEDRO
C[NH+]1CCC(C)(CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1	ZINC000331921677	259229040	/nfs/dbraw/zinc/22/90/40/259229040.db2.gz	OIBCUFYNIAXIOG-UHFFFAOYSA-N	1	0	352.442	1.788	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)C[C@@H]1[NH+]1CCCC1	ZINC000332070246	259238618	/nfs/dbraw/zinc/23/86/18/259238618.db2.gz	BPCWLWZEWAQEKA-JKSUJKDBSA-N	1	0	351.497	1.759	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC([NH+](C)C)CC1	ZINC000332581509	259279029	/nfs/dbraw/zinc/27/90/29/259279029.db2.gz	IGTLTZLFZXZJHX-UHFFFAOYSA-N	1	0	354.458	1.703	20	30		FDEDRO
N#Cc1cccc(CS(=O)(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1	ZINC000333482950	259352750	/nfs/dbraw/zinc/35/27/50/259352750.db2.gz	CIQCMDJJTJAMEI-QZTJIDSGSA-N	1	0	363.483	1.606	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@]4(CC[NH2+]C4)C3)C2=O)cc1	ZINC000333579040	259361044	/nfs/dbraw/zinc/36/10/44/259361044.db2.gz	NLBCPZMGBHYJOT-PXNSSMCTSA-N	1	0	367.453	1.054	20	30		FDEDRO
N#Cc1cnc2ccccc2c1N1CCN(C(=O)N[C@H]2CCC[NH2+]C2)CC1	ZINC000333643056	259366020	/nfs/dbraw/zinc/36/60/20/259366020.db2.gz	IPQMJEPZIHVWOE-INIZCTEOSA-N	1	0	364.453	1.690	20	30		FDEDRO
C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1	ZINC000364350087	259741990	/nfs/dbraw/zinc/74/19/90/259741990.db2.gz	DZLQGXBGVCKDIZ-ROUUACIJSA-N	1	0	354.454	1.602	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1	ZINC000368962488	260267517	/nfs/dbraw/zinc/26/75/17/260267517.db2.gz	AIOMTVZLIXEOMV-GOSISDBHSA-N	1	0	354.454	1.507	20	30		FDEDRO
N#Cc1ccccc1/C=C/C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000369355113	260346779	/nfs/dbraw/zinc/34/67/79/260346779.db2.gz	OVAWWWMASPJPTG-UEKDZROGSA-N	1	0	354.454	1.094	20	30		FDEDRO
C[NH+](C)CCN1C[C@H](C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC1=O	ZINC000371414041	260705629	/nfs/dbraw/zinc/70/56/29/260705629.db2.gz	CDLNXUCKJAONIF-LJQANCHMSA-N	1	0	366.465	1.584	20	30		FDEDRO
Cc1cc(C)cc(OC[C@@H](O)C[NH+]2CCC(n3cnc(C#N)n3)CC2)c1	ZINC000373411196	261008547	/nfs/dbraw/zinc/00/85/47/261008547.db2.gz	FNJQWHQOIWCYSH-KRWDZBQOSA-N	1	0	355.442	1.843	20	30		FDEDRO
C[C@H](CNC(=O)N1CCC(n2cnc(C#N)n2)CC1)[NH+]1CCC(C)CC1	ZINC000373443505	261011315	/nfs/dbraw/zinc/01/13/15/261011315.db2.gz	NYRCHGZHHSKMLX-OAHLLOKOSA-N	1	0	359.478	1.617	20	30		FDEDRO
Cc1cn2c(n1)[C@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)CCC2	ZINC000374434696	261131554	/nfs/dbraw/zinc/13/15/54/261131554.db2.gz	BWMPVGHDVOKNJK-LBPRGKRZSA-N	1	0	355.373	1.835	20	30		FDEDRO
CO[C@H]1CCC[N@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1	ZINC000374665246	261171786	/nfs/dbraw/zinc/17/17/86/261171786.db2.gz	QWZDKIWSCCMUGY-HNNXBMFYSA-N	1	0	361.446	1.004	20	30		FDEDRO
CN1CC[NH+](CC2(C)CCN(c3ncc([N+](=O)[O-])cc3C#N)CC2)CC1	ZINC000374931128	261230313	/nfs/dbraw/zinc/23/03/13/261230313.db2.gz	SYEFOPXSSYNMKN-UHFFFAOYSA-N	1	0	358.446	1.715	20	30		FDEDRO
C[C@@H](NCC(=O)N1CCNC1=O)c1nc(-c2ccc(C#N)cc2)cs1	ZINC000374942381	261232310	/nfs/dbraw/zinc/23/23/10/261232310.db2.gz	DQPSZSODZGGXBV-LLVKDONJSA-N	1	0	355.423	1.884	20	30		FDEDRO
COc1ccc(CN2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)cc1C#N	ZINC000375393170	261329013	/nfs/dbraw/zinc/32/90/13/261329013.db2.gz	PQQOPYYPBRWVRN-QGZVFWFLSA-N	1	0	363.483	1.308	20	30		FDEDRO
COC(=O)C1=C(C)O[C@H](C[N@@H+]2CCCN(c3ncccc3C#N)CC2)C1	ZINC000378484651	262035392	/nfs/dbraw/zinc/03/53/92/262035392.db2.gz	MCADUIJBOHQYGN-INIZCTEOSA-N	1	0	356.426	1.701	20	30		FDEDRO
C[C@@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)n1cnc(C#N)n1	ZINC000409451858	262121762	/nfs/dbraw/zinc/12/17/62/262121762.db2.gz	KFOAGBQMHVLRJF-HNNXBMFYSA-N	1	0	352.442	1.534	20	30		FDEDRO
C[C@H](C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)n1cnc(C#N)n1	ZINC000409679031	262132795	/nfs/dbraw/zinc/13/27/95/262132795.db2.gz	GBEDQSOAVKLYIF-OAHLLOKOSA-N	1	0	368.441	1.502	20	30		FDEDRO
C[C@H](C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)n1cnc(C#N)n1	ZINC000409713281	262135788	/nfs/dbraw/zinc/13/57/88/262135788.db2.gz	RLQZONWLMRZGOO-CYBMUJFWSA-N	1	0	351.414	1.866	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1	ZINC000892186730	782043091	/nfs/dbraw/zinc/04/30/91/782043091.db2.gz	BSLBXKZXCYNUAV-QILLFSRXSA-N	1	0	371.460	1.917	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c1C#N	ZINC000534796895	490410721	/nfs/dbraw/zinc/41/07/21/490410721.db2.gz	YNCRSUHCKFNKLF-UHFFFAOYSA-N	1	0	361.337	1.315	20	30		FDEDRO
CCCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)CC1	ZINC000505031954	490817210	/nfs/dbraw/zinc/81/72/10/490817210.db2.gz	FGTBDJGHIOVQPG-UHFFFAOYSA-N	1	0	360.462	1.424	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)c1cccc(C#N)c1	ZINC000610952125	492272119	/nfs/dbraw/zinc/27/21/19/492272119.db2.gz	SSOZJOPNRWUGNE-CYBMUJFWSA-N	1	0	354.414	1.132	20	30		FDEDRO
CNC(=O)c1ccc(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)cc1	ZINC000028920173	519257316	/nfs/dbraw/zinc/25/73/16/519257316.db2.gz	YDZFRZUWUAZBGO-SFHVURJKSA-N	1	0	353.422	1.642	20	30		FDEDRO
COC(=O)CCCCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000069245028	521837570	/nfs/dbraw/zinc/83/75/70/521837570.db2.gz	XUOHFZCJRIWUKN-UHFFFAOYSA-N	1	0	360.458	1.975	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCn3ccnc3)CC2)cc1	ZINC000043311737	521852974	/nfs/dbraw/zinc/85/29/74/521852974.db2.gz	OWTVFBFWGHCWBE-UHFFFAOYSA-N	1	0	352.442	1.672	20	30		FDEDRO
C[C@@H](CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)CN1CC[NH+](C)CC1	ZINC000071972516	522143915	/nfs/dbraw/zinc/14/39/15/522143915.db2.gz	VAMZFMNDXQJRDZ-ZDUSSCGKSA-N	1	0	370.906	1.373	20	30		FDEDRO
CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000046279572	522268480	/nfs/dbraw/zinc/26/84/80/522268480.db2.gz	KYCCQJRULMCPEO-CQSZACIVSA-N	1	0	374.489	1.986	20	30		FDEDRO
CC[C@@H](CNS(=O)(=O)N(C)CCC#N)[N@@H+]1CCc2ccccc2C1	ZINC000046802696	522357223	/nfs/dbraw/zinc/35/72/23/522357223.db2.gz	ARPLZWBHRJAQFI-KRWDZBQOSA-N	1	0	350.488	1.503	20	30		FDEDRO
N#Cc1ccc(N2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)nc1	ZINC000060480939	522386934	/nfs/dbraw/zinc/38/69/34/522386934.db2.gz	ZGHDRZRZIXEHEX-UHFFFAOYSA-N	1	0	360.421	1.976	20	30		FDEDRO
C[NH+]=C(NCc1ccc(C)s1)N1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000073776023	522605063	/nfs/dbraw/zinc/60/50/63/522605063.db2.gz	QRARNUDQVXNBEE-OAHLLOKOSA-N	1	0	350.488	1.455	20	30		FDEDRO
CC[NH+]=C(NCc1c(C)noc1C)N1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000073777916	522607295	/nfs/dbraw/zinc/60/72/95/522607295.db2.gz	WAOLNRZIHJHOSD-MRXNPFEDSA-N	1	0	363.462	1.080	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000074345229	522756667	/nfs/dbraw/zinc/75/66/67/522756667.db2.gz	FWSDQAINCYIXPP-GOSISDBHSA-N	1	0	358.486	1.972	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1	ZINC000074674261	522819804	/nfs/dbraw/zinc/81/98/04/522819804.db2.gz	BQMSEVIJNBWLFF-FQEVSTJZSA-N	1	0	350.466	1.568	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)c3ccc(OC)cc3)CC2)CC1	ZINC000050028559	522877895	/nfs/dbraw/zinc/87/78/95/522877895.db2.gz	XUGLLMZXRVLDCJ-UHFFFAOYSA-N	1	0	369.465	1.325	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1	ZINC000050165560	522894464	/nfs/dbraw/zinc/89/44/64/522894464.db2.gz	BXDXGAJHTVSYOI-HUUCEWRRSA-N	1	0	372.469	1.990	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1	ZINC000050202659	522898612	/nfs/dbraw/zinc/89/86/12/522898612.db2.gz	SYAAFWZIALVCRE-OAHLLOKOSA-N	1	0	356.426	1.592	20	30		FDEDRO
N#Cc1cccc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000065977904	522932401	/nfs/dbraw/zinc/93/24/01/522932401.db2.gz	DRJMOIBXBGGTGJ-UHFFFAOYSA-N	1	0	360.395	1.535	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)CCCC(=O)N3)CC1	ZINC000076512703	523127307	/nfs/dbraw/zinc/12/73/07/523127307.db2.gz	AYDZLVJACPGYCM-UHFFFAOYSA-N	1	0	370.453	1.667	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1	ZINC000076601461	523146697	/nfs/dbraw/zinc/14/66/97/523146697.db2.gz	AMROBUWHJZSJFD-LLVKDONJSA-N	1	0	352.341	1.309	20	30		FDEDRO
C=CCCC[N@@H+](C)CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C	ZINC000076736641	523179816	/nfs/dbraw/zinc/17/98/16/523179816.db2.gz	YJJKTLLCZSTYFI-CYBMUJFWSA-N	1	0	351.472	1.510	20	30		FDEDRO
CC1CC[NH+](CCNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1	ZINC000052525293	523192330	/nfs/dbraw/zinc/19/23/30/523192330.db2.gz	VICJDOMTMUKGKS-UHFFFAOYSA-N	1	0	356.474	1.517	20	30		FDEDRO
C[N@@H+]1CCC[C@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1	ZINC000052590756	523213076	/nfs/dbraw/zinc/21/30/76/523213076.db2.gz	UCVKVCFFOYZHMS-AWEZNQCLSA-N	1	0	358.446	1.349	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)CC1	ZINC000066922004	523267082	/nfs/dbraw/zinc/26/70/82/523267082.db2.gz	SIMGWKWXKQZBJD-IBGZPJMESA-N	1	0	368.481	1.420	20	30		FDEDRO
CCc1nc(CON=C(N)CCN2CC[NH+](Cc3ccccc3)CC2)no1	ZINC000067100073	523319265	/nfs/dbraw/zinc/31/92/65/523319265.db2.gz	GZJGOFHBVZCGGQ-UHFFFAOYSA-N	1	0	372.473	1.629	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)CC1	ZINC000067126907	523327327	/nfs/dbraw/zinc/32/73/27/523327327.db2.gz	OZMCFILIHNDSCU-UHFFFAOYSA-N	1	0	363.483	1.529	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CNC(=O)OC(C)(C)C	ZINC000067202759	523356644	/nfs/dbraw/zinc/35/66/44/523356644.db2.gz	RKSROQCMSHRFIS-UHFFFAOYSA-N	1	0	360.458	1.973	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[N@H+]2CC)ccc1F	ZINC000078250149	523540450	/nfs/dbraw/zinc/54/04/50/523540450.db2.gz	FNBFPMSOEPVHBT-AWEZNQCLSA-N	1	0	369.462	1.504	20	30		FDEDRO
CC[C@H](CO)[NH+]1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1	ZINC000078523363	523597071	/nfs/dbraw/zinc/59/70/71/523597071.db2.gz	ZETHDGMYWKCJOW-CQSZACIVSA-N	1	0	355.398	1.908	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)c2ccccc2OCC[NH+](C)C)CC1	ZINC000068327284	523759770	/nfs/dbraw/zinc/75/97/70/523759770.db2.gz	YMPFDDQOTVAWMY-SFHVURJKSA-N	1	0	358.486	1.933	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)c2ccc(C#N)cc2)CC1	ZINC000079643645	523777043	/nfs/dbraw/zinc/77/70/43/523777043.db2.gz	AIIJODLZFTXUMC-UHFFFAOYSA-N	1	0	356.470	1.915	20	30		FDEDRO
N#CCSCCC[NH+]1CCN(Cc2nc(N)c3ccccc3n2)CC1	ZINC000080722146	523900957	/nfs/dbraw/zinc/90/09/57/523900957.db2.gz	HKAYWJWDHGBISS-UHFFFAOYSA-N	1	0	356.499	1.976	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1	ZINC000110515293	524099047	/nfs/dbraw/zinc/09/90/47/524099047.db2.gz	QYVMEMIWNPCVHZ-INIZCTEOSA-N	1	0	363.483	1.461	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2nnnn2-c2ccccc2)CC1	ZINC000172151069	524136960	/nfs/dbraw/zinc/13/69/60/524136960.db2.gz	YALPDXQGKRUQED-CQSZACIVSA-N	1	0	355.446	1.673	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1	ZINC000156987280	524185879	/nfs/dbraw/zinc/18/58/79/524185879.db2.gz	MPXHOWSRXVDXBW-GFCCVEGCSA-N	1	0	352.416	1.477	20	30		FDEDRO
N#Cc1ccc(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)[nH]1	ZINC000121397323	524245996	/nfs/dbraw/zinc/24/59/96/524245996.db2.gz	IOMHSSPQLXULJY-AWEZNQCLSA-N	1	0	351.410	1.836	20	30		FDEDRO
COc1cc(C#N)ccc1C[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1	ZINC000121404591	524248422	/nfs/dbraw/zinc/24/84/22/524248422.db2.gz	ZPMCITNIQURENO-UHFFFAOYSA-N	1	0	370.497	1.943	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)Nc1cccc(C(=O)NCC[NH+](CC)CC)c1	ZINC000121426199	524254470	/nfs/dbraw/zinc/25/44/70/524254470.db2.gz	IOROTNSIKXYALU-UHFFFAOYSA-N	1	0	360.458	1.341	20	30		FDEDRO
CN(C1CC[NH+](CCc2ccccn2)CC1)S(=O)(=O)CCCC#N	ZINC000111335746	524264531	/nfs/dbraw/zinc/26/45/31/524264531.db2.gz	BTLOZDUJMQAHLU-UHFFFAOYSA-N	1	0	350.488	1.654	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CCc2cc(OC)c(OC)cc2CC1	ZINC000138764484	524264785	/nfs/dbraw/zinc/26/47/85/524264785.db2.gz	CIQPKWXAWKBEAA-ZDUSSCGKSA-N	1	0	361.442	1.505	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)CN2CCN(c3cc[nH+]cc3)CC2)cc1	ZINC000157621996	524308620	/nfs/dbraw/zinc/30/86/20/524308620.db2.gz	GZUOPQZNTIRTDI-LJQANCHMSA-N	1	0	352.438	1.710	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)NCCOc2ccc(C#N)cc2)CC1	ZINC000173177570	524341974	/nfs/dbraw/zinc/34/19/74/524341974.db2.gz	YKOSAIBGQZSBCF-UHFFFAOYSA-N	1	0	360.458	1.737	20	30		FDEDRO
Cc1cc(NC(=O)CO/[NH+]=C/c2ccc(N3CCOCC3)cc2)n(C)n1	ZINC000085256890	524344011	/nfs/dbraw/zinc/34/40/11/524344011.db2.gz	MMAKXHYKQOIMIC-XDHOZWIPSA-N	1	0	357.414	1.554	20	30		FDEDRO
Cc1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)ccc1-n1cnnn1	ZINC000086282303	524380739	/nfs/dbraw/zinc/38/07/39/524380739.db2.gz	QZIRNFAHZULAJS-UHFFFAOYSA-N	1	0	356.434	1.670	20	30		FDEDRO
CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)CC(C)C	ZINC000086446220	524389598	/nfs/dbraw/zinc/38/95/98/524389598.db2.gz	GEVGGWMEXANBSP-OAHLLOKOSA-N	1	0	362.478	1.608	20	30		FDEDRO
N#CCc1ccc(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1	ZINC000112219187	524430049	/nfs/dbraw/zinc/43/00/49/524430049.db2.gz	KSJIOZRWLKGWMJ-QGZVFWFLSA-N	1	0	370.453	1.262	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCCN(C(=O)c3cccs3)CC2)CC1	ZINC000112306718	524456194	/nfs/dbraw/zinc/45/61/94/524456194.db2.gz	VECZWMWKYJWJMK-UHFFFAOYSA-N	1	0	359.495	1.768	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)N1CCCc2ccc(F)cc21	ZINC000122124976	524458781	/nfs/dbraw/zinc/45/87/81/524458781.db2.gz	VISICWXCLMZLNN-UHFFFAOYSA-N	1	0	360.433	1.799	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(-c2ncon2)cc1	ZINC000122149243	524464042	/nfs/dbraw/zinc/46/40/42/524464042.db2.gz	PQPUKEYIDUCDAJ-UHFFFAOYSA-N	1	0	370.413	1.369	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158621042	524499055	/nfs/dbraw/zinc/49/90/55/524499055.db2.gz	PJDLTYMILKVKBT-BBWFWOEESA-N	1	0	361.511	1.657	20	30		FDEDRO
NC(=O)c1ccc(CO[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)cc1	ZINC000174126000	524517092	/nfs/dbraw/zinc/51/70/92/524517092.db2.gz	SZAVFFJOLXQZMQ-UHFFFAOYSA-N	1	0	368.437	1.584	20	30		FDEDRO
C[C@@H]1CCC[C@](CNC(=O)CCNC(=O)C2N=CC=CC2=O)([NH+](C)C)C1	ZINC000174203769	524527327	/nfs/dbraw/zinc/52/73/27/524527327.db2.gz	VHXHVGGYTVZOHZ-NMYDDROSSA-N	1	0	362.474	1.530	20	30		FDEDRO
CC[N@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(OC)cc2)CC1)C1CC1	ZINC000151272355	524545499	/nfs/dbraw/zinc/54/54/99/524545499.db2.gz	GGHXIMDNUQWSLO-LJQANCHMSA-N	1	0	356.470	1.888	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@@H](O)COc1cccc2[nH]ccc21	ZINC000089942527	524554828	/nfs/dbraw/zinc/55/48/28/524554828.db2.gz	KRIKIRIBVIAXJQ-CYBMUJFWSA-N	1	0	368.441	1.649	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000089943204	524556291	/nfs/dbraw/zinc/55/62/91/524556291.db2.gz	CNUQVQIUETWEAJ-UHFFFAOYSA-N	1	0	354.414	1.687	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)[C@@H]1CCN(c2ccccc2F)C1=O	ZINC000089943007	524557540	/nfs/dbraw/zinc/55/75/40/524557540.db2.gz	JAXOMSGJAXJNQX-MRXNPFEDSA-N	1	0	356.405	1.673	20	30		FDEDRO
C=CCNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1	ZINC000174543107	524620367	/nfs/dbraw/zinc/62/03/67/524620367.db2.gz	IRUGPQJIWVGKOG-MRXNPFEDSA-N	1	0	358.442	1.094	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)n1	ZINC000091208906	524663066	/nfs/dbraw/zinc/66/30/66/524663066.db2.gz	RZEXGJSJHQYFSW-LIRRHRJNSA-N	1	0	374.489	1.901	20	30		FDEDRO
CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N	ZINC000091226221	524669141	/nfs/dbraw/zinc/66/91/41/524669141.db2.gz	ZQZIHMJXJHXBEP-HNNXBMFYSA-N	1	0	360.462	1.655	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)c1cccc(F)c1	ZINC000123507369	524764900	/nfs/dbraw/zinc/76/49/00/524764900.db2.gz	GLBOWCZXZOUOLS-OAHLLOKOSA-N	1	0	372.404	1.293	20	30		FDEDRO
N#Cc1ccc(N2CCC(Nc3cc(-n4cccn4)nc(N)[nH+]3)CC2)nc1	ZINC000092894637	524929098	/nfs/dbraw/zinc/92/90/98/524929098.db2.gz	BYEKHOSFMYCHCG-UHFFFAOYSA-N	1	0	361.413	1.592	20	30		FDEDRO
N#Cc1ccc(N2CCN(c3cc(-n4cccn4)nc(N)[nH+]3)CC2)c(F)c1	ZINC000092893809	524930634	/nfs/dbraw/zinc/93/06/34/524930634.db2.gz	PWPDGIYZAAGBPW-UHFFFAOYSA-N	1	0	364.388	1.582	20	30		FDEDRO
CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCN(C)CCC#N)c1	ZINC000152742805	524988184	/nfs/dbraw/zinc/98/81/84/524988184.db2.gz	BNMWHKBPUJNXBE-UHFFFAOYSA-N	1	0	372.878	1.764	20	30		FDEDRO
C=CCc1cc(C[N@H+](C)C[C@@H](O)CN2CCOCC2)cc(OC)c1O	ZINC000093583348	524992760	/nfs/dbraw/zinc/99/27/60/524992760.db2.gz	NUUGXBFWFSNYTD-QGZVFWFLSA-N	1	0	350.459	1.254	20	30		FDEDRO
C[NH+]1CCN(c2cc(CN[C@H](C(N)=O)c3ccc(C#N)cc3)ccn2)CC1	ZINC000115597162	525032357	/nfs/dbraw/zinc/03/23/57/525032357.db2.gz	GKPAFCMHOKRYOP-IBGZPJMESA-N	1	0	364.453	1.021	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCCCC[N@H+]2CCC[C@H]2CO)cc1Cl	ZINC000161735043	525160352	/nfs/dbraw/zinc/16/03/52/525160352.db2.gz	YPGQMNJFXVOPGJ-AWEZNQCLSA-N	1	0	371.890	1.727	20	30		FDEDRO
CCCNC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000125225548	525171089	/nfs/dbraw/zinc/17/10/89/525171089.db2.gz	ZJXQYYNLXKUKSE-FUHWJXTLSA-N	1	0	354.454	1.902	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1	ZINC000101549383	525231057	/nfs/dbraw/zinc/23/10/57/525231057.db2.gz	DVTXUZVMRUEFLI-CVEARBPZSA-N	1	0	350.507	1.867	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)NCCN1CCC([NH+](C)C)CC1	ZINC000177143606	525247440	/nfs/dbraw/zinc/24/74/40/525247440.db2.gz	KEBVKRBOINPGQJ-UHFFFAOYSA-N	1	0	374.533	1.488	20	30		FDEDRO
CC[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N[C@@H]1CCC[C@H](C)C1	ZINC000162548599	525275480	/nfs/dbraw/zinc/27/54/80/525275480.db2.gz	FMVWUSDZADOUEH-GOEBONIOSA-N	1	0	358.552	1.792	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3C[C@@H]4CCCC[C@H]4C3)CC2)o1	ZINC000177533046	525306171	/nfs/dbraw/zinc/30/61/71/525306171.db2.gz	ULKPTGCJNBJKIO-HOTGVXAUSA-N	1	0	357.458	1.625	20	30		FDEDRO
C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000153738407	525306195	/nfs/dbraw/zinc/30/61/95/525306195.db2.gz	ISHSRCZAEIBTBG-LLVKDONJSA-N	1	0	368.359	1.974	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccc(C#N)c(Cl)c2)CC1	ZINC000126390014	525306331	/nfs/dbraw/zinc/30/63/31/525306331.db2.gz	SMFZZSPIBDVNLY-UHFFFAOYSA-N	1	0	362.861	1.838	20	30		FDEDRO
C[C@H](C(=O)Nc1ccccc1C#N)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000162808198	525320323	/nfs/dbraw/zinc/32/03/23/525320323.db2.gz	KDJMVVZWHBDUKK-QAPCUYQASA-N	1	0	369.469	1.124	20	30		FDEDRO
Cn1cc(S(=O)(=O)N2CCC([NH2+]Cc3cc(C#N)cs3)CC2)cn1	ZINC000177705256	525334839	/nfs/dbraw/zinc/33/48/39/525334839.db2.gz	FCYWAMIJNDTCKH-UHFFFAOYSA-N	1	0	365.484	1.296	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC3(CC2)[C@H](OCC)C[C@@H]3O)CC1	ZINC000163008720	525350078	/nfs/dbraw/zinc/35/00/78/525350078.db2.gz	PWQFQFUWCFKHIU-ZWKOTPCHSA-N	1	0	365.518	1.988	20	30		FDEDRO
C#CCC[NH+]1CCN([C@H](C)c2nc(N)nc(Nc3ccccc3)n2)CC1	ZINC000127299824	525408159	/nfs/dbraw/zinc/40/81/59/525408159.db2.gz	FSKHYASXOORHET-OAHLLOKOSA-N	1	0	351.458	1.899	20	30		FDEDRO
COc1cccc([C@@H](CNC(=O)Cn2cnc(C#N)n2)[NH+]2CCCC2)c1	ZINC000178336818	525413613	/nfs/dbraw/zinc/41/36/13/525413613.db2.gz	KAOGUXXUOFBBCF-MRXNPFEDSA-N	1	0	354.414	1.112	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000178414487	525423009	/nfs/dbraw/zinc/42/30/09/525423009.db2.gz	LNVUCXMCFTUMHU-ZIAGYGMSSA-N	1	0	358.442	1.421	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000118097025	525437734	/nfs/dbraw/zinc/43/77/34/525437734.db2.gz	KAKMQLBUQZSNET-INIZCTEOSA-N	1	0	358.442	1.908	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)C1CC1	ZINC000118100432	525441107	/nfs/dbraw/zinc/44/11/07/525441107.db2.gz	LBXHONUMFVQUJW-ZDUSSCGKSA-N	1	0	366.368	1.555	20	30		FDEDRO
COc1ccccc1CNC(=[NH2+])NCc1ccccc1CS(C)(=O)=O	ZINC000178560213	525444633	/nfs/dbraw/zinc/44/46/33/525444633.db2.gz	ZWDNNAOQWDOHDZ-UHFFFAOYSA-N	1	0	361.467	1.844	20	30		FDEDRO
CC[N@H+](CCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C)C1CC1	ZINC000118121472	525464728	/nfs/dbraw/zinc/46/47/28/525464728.db2.gz	SGVMPMUKHCKZQO-UHFFFAOYSA-N	1	0	358.442	1.884	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)Cc2cccc(C#N)c2)CC1=O	ZINC000105316367	525493549	/nfs/dbraw/zinc/49/35/49/525493549.db2.gz	WEWVQHWOFKZESP-RTBURBONSA-N	1	0	368.481	1.849	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)n1	ZINC000154409505	525523795	/nfs/dbraw/zinc/52/37/95/525523795.db2.gz	BSACDZVDWRWFJM-HNNXBMFYSA-N	1	0	360.462	1.607	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)Cc2cc(C#N)ccc2F)C1	ZINC000164836783	525531420	/nfs/dbraw/zinc/53/14/20/525531420.db2.gz	STJRDGJUYXIIOR-RHSMWYFYSA-N	1	0	351.447	1.943	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccnc2OCC(F)F)CC1	ZINC000179266343	525549826	/nfs/dbraw/zinc/54/98/26/525549826.db2.gz	OXRDPOHENDRTKK-UHFFFAOYSA-N	1	0	368.384	1.431	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Cn2nnc(-c3ccc(C)cc3)n2)CC1	ZINC000106038229	525553576	/nfs/dbraw/zinc/55/35/76/525553576.db2.gz	KAALGKXQOJPYPV-UHFFFAOYSA-N	1	0	354.458	1.805	20	30		FDEDRO
CN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C[C@H]1CCC[N@H+](C)C1	ZINC000118843770	525560797	/nfs/dbraw/zinc/56/07/97/525560797.db2.gz	PBVGNNQIZKQGCL-INIZCTEOSA-N	1	0	366.469	1.956	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)CC1	ZINC000128672761	525568959	/nfs/dbraw/zinc/56/89/59/525568959.db2.gz	WMRLMWCSDOVAPX-FHWLQOOXSA-N	1	0	372.517	1.649	20	30		FDEDRO
C=CCNc1ncc(C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)s1	ZINC000128752322	525575796	/nfs/dbraw/zinc/57/57/96/525575796.db2.gz	RORGAUGVOMMBIY-OAHLLOKOSA-N	1	0	363.531	1.983	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCC[NH2+]2)c1	ZINC000154633952	525594468	/nfs/dbraw/zinc/59/44/68/525594468.db2.gz	SUBZCKHTEXZHGT-QOBDKFOYSA-N	1	0	364.471	1.580	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1	ZINC000154639607	525596474	/nfs/dbraw/zinc/59/64/74/525596474.db2.gz	JZICNDCVDZLWJW-UHFFFAOYSA-N	1	0	374.441	1.519	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H](CCCO)c2ccccc2)CC1	ZINC000179743303	525620820	/nfs/dbraw/zinc/62/08/20/525620820.db2.gz	KNZKKHQOEKNRRR-UXHICEINSA-N	1	0	372.513	1.782	20	30		FDEDRO
C#CCSCCNC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000154800840	525642199	/nfs/dbraw/zinc/64/21/99/525642199.db2.gz	GSFCERMLHIWFPW-HZPDHXFCSA-N	1	0	353.532	1.884	20	30		FDEDRO
C#CCSCCNC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000154800738	525643441	/nfs/dbraw/zinc/64/34/41/525643441.db2.gz	GSFCERMLHIWFPW-HOTGVXAUSA-N	1	0	353.532	1.884	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1C#N	ZINC000119126025	525645433	/nfs/dbraw/zinc/64/54/33/525645433.db2.gz	KTZKEMKGJMQKKQ-MRXNPFEDSA-N	1	0	358.442	1.837	20	30		FDEDRO
C=CCNc1ncc(C(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)s1	ZINC000129342584	525646562	/nfs/dbraw/zinc/64/65/62/525646562.db2.gz	YVJMYLAQZJVZBX-HNNXBMFYSA-N	1	0	363.531	1.983	20	30		FDEDRO
C#CCOc1ccccc1C[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1	ZINC000129419087	525651809	/nfs/dbraw/zinc/65/18/09/525651809.db2.gz	DKSIBIJATQVWBE-HNNXBMFYSA-N	1	0	365.476	1.685	20	30		FDEDRO
C[NH+](C)C1CCN(CCNS(=O)(=O)c2ccc(C#N)cc2Cl)CC1	ZINC000180088988	525662139	/nfs/dbraw/zinc/66/21/39/525662139.db2.gz	GFVJFQMVFRRDEJ-UHFFFAOYSA-N	1	0	370.906	1.516	20	30		FDEDRO
C=C[C@H](C)NC(=O)C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000119233424	525678580	/nfs/dbraw/zinc/67/85/80/525678580.db2.gz	DJTQKBRUASMMKW-RDJZCZTQSA-N	1	0	367.453	1.959	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2cc(S(N)(=O)=O)ccc2Cl)CC1	ZINC000106291022	525688260	/nfs/dbraw/zinc/68/82/60/525688260.db2.gz	SUWIRYPJNVSITA-UHFFFAOYSA-N	1	0	371.890	1.758	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Cc2c(C)nc3c(c(=O)[nH]n3C)c2C)CC1	ZINC000106290774	525688765	/nfs/dbraw/zinc/68/87/65/525688765.db2.gz	HHSOESSFELOAGL-UHFFFAOYSA-N	1	0	371.485	1.578	20	30		FDEDRO
Cc1cccc(N2CC[NH+](CCCNC(=O)N3CCO[C@H](C#N)C3)CC2)c1	ZINC000106332063	525695727	/nfs/dbraw/zinc/69/57/27/525695727.db2.gz	YJKBKGRXQXDOAH-LJQANCHMSA-N	1	0	371.485	1.441	20	30		FDEDRO
N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CCO1	ZINC000106349800	525699059	/nfs/dbraw/zinc/69/90/59/525699059.db2.gz	MUJGKOWHODFTLR-KRWDZBQOSA-N	1	0	356.426	1.014	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO	ZINC000180712138	525745578	/nfs/dbraw/zinc/74/55/78/525745578.db2.gz	JFPLPWOVCXZZGP-GOSISDBHSA-N	1	0	352.438	1.783	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(c2ccccc2C#N)CC1	ZINC000106583390	525763068	/nfs/dbraw/zinc/76/30/68/525763068.db2.gz	MNYMMNVMEUEQJR-QGZVFWFLSA-N	1	0	370.501	1.026	20	30		FDEDRO
[NH2+]=C(NCCc1ccc(OCC(=O)NC2CC2)cc1)Nc1ccccn1	ZINC000170909150	525764675	/nfs/dbraw/zinc/76/46/75/525764675.db2.gz	LIXQQVKTYRAGGS-UHFFFAOYSA-N	1	0	353.426	1.708	20	30		FDEDRO
C[NH+](C)[C@H]1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1	ZINC000155189663	525775711	/nfs/dbraw/zinc/77/57/11/525775711.db2.gz	PMMBWBOCVDVGIC-LBPRGKRZSA-N	1	0	358.261	1.645	20	30		FDEDRO
CN(C[C@@H]1CC[N@H+](C)C1)S(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000155196614	525778268	/nfs/dbraw/zinc/77/82/68/525778268.db2.gz	WEICBSCBDJORLT-LLVKDONJSA-N	1	0	372.288	1.893	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000106895674	525817565	/nfs/dbraw/zinc/81/75/65/525817565.db2.gz	DSBGRSJVBYKKPD-GFCCVEGCSA-N	1	0	356.879	1.126	20	30		FDEDRO
C[C@@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)C(C)(C)C[NH+](C)C	ZINC000119658986	525818482	/nfs/dbraw/zinc/81/84/82/525818482.db2.gz	RNQQHVWJZHZWHL-OAHLLOKOSA-N	1	0	358.490	1.761	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)c(OC)c1	ZINC000131060125	525822903	/nfs/dbraw/zinc/82/29/03/525822903.db2.gz	SCIYEMWEBRBLFK-YESZJQIVSA-N	1	0	362.470	1.797	20	30		FDEDRO
C[C@@H]1C[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)CN1Cc1ccccc1	ZINC000119708186	525833215	/nfs/dbraw/zinc/83/32/15/525833215.db2.gz	HJJNGFXXFJYVAW-RFGMHMOMSA-N	1	0	354.454	1.765	20	30		FDEDRO
C=C(C)C[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1	ZINC000181328940	525840916	/nfs/dbraw/zinc/84/09/16/525840916.db2.gz	WFFAETOZKZMMND-UHFFFAOYSA-N	1	0	369.462	1.167	20	30		FDEDRO
N#CCOc1ccc(/C=C/C(=O)NCCCC[N@H+]2CCC[C@H]2CO)cc1	ZINC000131602680	525877947	/nfs/dbraw/zinc/87/79/47/525877947.db2.gz	KPSNLPHVNWQGKO-HKMNZKMDSA-N	1	0	357.454	1.955	20	30		FDEDRO
COCCN(C)CCNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000155534309	525897135	/nfs/dbraw/zinc/89/71/35/525897135.db2.gz	WVWIUZUVSYGQBZ-UHFFFAOYSA-N	1	0	365.377	1.434	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(NC(=O)C2CCOCC2)CC1	ZINC000107684477	525906395	/nfs/dbraw/zinc/90/63/95/525906395.db2.gz	OCDFYPOGYSLNHU-INIZCTEOSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1	ZINC000131968731	525923769	/nfs/dbraw/zinc/92/37/69/525923769.db2.gz	VGCZKHZYPKHWDC-HNNXBMFYSA-N	1	0	372.469	1.532	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N	ZINC000181827646	525946340	/nfs/dbraw/zinc/94/63/40/525946340.db2.gz	FMCPNATUYZEUAY-LSDHHAIUSA-N	1	0	358.442	1.907	20	30		FDEDRO
C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1	ZINC000132236370	525949484	/nfs/dbraw/zinc/94/94/84/525949484.db2.gz	QJFJQUFRFKUMBJ-AWEZNQCLSA-N	1	0	360.483	1.934	20	30		FDEDRO
C[C@@H]([NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)c1cccc(C#N)c1	ZINC000181989612	526010362	/nfs/dbraw/zinc/01/03/62/526010362.db2.gz	UWLKBIVBBXLVOW-MRXNPFEDSA-N	1	0	364.453	1.738	20	30		FDEDRO
N#CCCn1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1	ZINC000155930628	526011924	/nfs/dbraw/zinc/01/19/24/526011924.db2.gz	ZXKWGHSEWBIKHR-ZBFHGGJFSA-N	1	0	370.457	1.211	20	30		FDEDRO
N#CCNC(=O)CN1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000108851703	526032243	/nfs/dbraw/zinc/03/22/43/526032243.db2.gz	SXOCYDRICVIXOU-UHFFFAOYSA-N	1	0	354.376	1.853	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(CCCOc2cccc(C#N)c2)CC1	ZINC000156103246	526057231	/nfs/dbraw/zinc/05/72/31/526057231.db2.gz	JIBKAXQVYVMOJS-UHFFFAOYSA-N	1	0	358.486	1.813	20	30		FDEDRO
C=CCCS(=O)(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000120458341	526069481	/nfs/dbraw/zinc/06/94/81/526069481.db2.gz	IFHYIXWNFZXAPO-KRWDZBQOSA-N	1	0	365.499	1.379	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)CC1	ZINC000171719642	526090931	/nfs/dbraw/zinc/09/09/31/526090931.db2.gz	GQIURMFQCWSXKZ-KRWDZBQOSA-N	1	0	373.432	1.012	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)CC1	ZINC000171739558	526102829	/nfs/dbraw/zinc/10/28/29/526102829.db2.gz	DBWONLVOYPMUHZ-UHFFFAOYSA-N	1	0	374.460	1.944	20	30		FDEDRO
COc1ccc(OC)c(CCCNC(=[NH2+])NCCCN2CCOCC2)c1	ZINC000134221804	526136964	/nfs/dbraw/zinc/13/69/64/526136964.db2.gz	WCGMZFSXTKKMRV-UHFFFAOYSA-N	1	0	364.490	1.263	20	30		FDEDRO
N#CCCCS(=O)(=O)NCc1ccccc1C[NH+]1CCC(O)CC1	ZINC000182487887	526190440	/nfs/dbraw/zinc/19/04/40/526190440.db2.gz	ITNFTEHYKLHILU-UHFFFAOYSA-N	1	0	351.472	1.366	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c(F)c1	ZINC000171978084	526196726	/nfs/dbraw/zinc/19/67/26/526196726.db2.gz	MCRJRMRUFRXDFE-INIZCTEOSA-N	1	0	360.433	1.951	20	30		FDEDRO
N#Cc1ccc(C(=O)Nc2ccccc2C[N@H+]2CCC[C@H](C(N)=O)C2)[nH]1	ZINC000120900490	526214745	/nfs/dbraw/zinc/21/47/45/526214745.db2.gz	XIQGRWGCWPSCBJ-AWEZNQCLSA-N	1	0	351.410	1.836	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C	ZINC000934310402	782165873	/nfs/dbraw/zinc/16/58/73/782165873.db2.gz	AJVGHIGEFNSKAS-GOSISDBHSA-N	1	0	360.502	1.896	20	30		FDEDRO
C[NH+](C)CCSCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000182748932	535857029	/nfs/dbraw/zinc/85/70/29/535857029.db2.gz	YHJMLQAXYYHCDU-CQSZACIVSA-N	1	0	352.529	1.752	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](N3CC[NH+](C4CCOCC4)CC3)C2=O)cc1	ZINC000182822180	535869553	/nfs/dbraw/zinc/86/95/53/535869553.db2.gz	SBDGDOUFTGIBKD-FQEVSTJZSA-N	1	0	368.481	1.850	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)CCC[NH+](C)C)cc1	ZINC000182932188	535889966	/nfs/dbraw/zinc/88/99/66/535889966.db2.gz	REXNXOZUGNXJNJ-UHFFFAOYSA-N	1	0	368.503	1.909	20	30		FDEDRO
COCCC[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000183167387	535932590	/nfs/dbraw/zinc/93/25/90/535932590.db2.gz	ARGNVPZFEMRUNK-SFHVURJKSA-N	1	0	362.449	1.503	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](CCO)C2CCCCC2)CC1	ZINC000183708494	536033790	/nfs/dbraw/zinc/03/37/90/536033790.db2.gz	UBIGYYMZRRGVGA-OALUTQOASA-N	1	0	364.534	1.600	20	30		FDEDRO
COc1cccc([C@@H]2[C@@H](NC(=O)N3CCO[C@H](C#N)C3)CC[N@@H+]2C2CC2)c1	ZINC000183766237	536046626	/nfs/dbraw/zinc/04/66/26/536046626.db2.gz	DHWJOODBWKUCDP-CEXWTWQISA-N	1	0	370.453	1.907	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCNC(=O)[C@@H]2c2ccc(F)cc2C)CC1	ZINC000184345378	536138260	/nfs/dbraw/zinc/13/82/60/536138260.db2.gz	VIKVETUSHNGDKJ-SFHVURJKSA-N	1	0	357.429	1.479	20	30		FDEDRO
CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1	ZINC000184649938	536173388	/nfs/dbraw/zinc/17/33/88/536173388.db2.gz	VSFJEOQYRSYZOY-AWEZNQCLSA-N	1	0	353.430	1.944	20	30		FDEDRO
N#Cc1ccc(Cl)c(S(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1	ZINC000184858225	536188158	/nfs/dbraw/zinc/18/81/58/536188158.db2.gz	MJRLRMBNCLLORW-CYBMUJFWSA-N	1	0	357.863	1.337	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NCc2cnc(N3CCOCC3)c(F)c2)cc1	ZINC000184874914	536189030	/nfs/dbraw/zinc/18/90/30/536189030.db2.gz	PKCBPZPZCNVNRH-UHFFFAOYSA-N	1	0	359.405	1.993	20	30		FDEDRO
CC1CCN(C(=[NH2+])NCc2ccc(N3CCCS3(=O)=O)cc2)CC1	ZINC000185497805	536210362	/nfs/dbraw/zinc/21/03/62/536210362.db2.gz	GNRWAUCRIWHTJU-UHFFFAOYSA-N	1	0	350.488	1.773	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCO[C@]2(CCOC2)C1)C(C)C	ZINC000187128593	536255294	/nfs/dbraw/zinc/25/52/94/536255294.db2.gz	PAUHAJDBWTYVGC-PKOBYXMFSA-N	1	0	351.491	1.886	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c1	ZINC000187392164	536264632	/nfs/dbraw/zinc/26/46/32/536264632.db2.gz	ASFZTQTUPGRDOA-MRXNPFEDSA-N	1	0	374.485	1.332	20	30		FDEDRO
Cc1cc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)ccc1S(N)(=O)=O	ZINC000262802396	536905810	/nfs/dbraw/zinc/90/58/10/536905810.db2.gz	RGKWSGGKQXSSCP-HNNXBMFYSA-N	1	0	374.466	1.571	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)C1	ZINC000266705243	536923632	/nfs/dbraw/zinc/92/36/32/536923632.db2.gz	XHWGFOWXDCJHLW-OAHLLOKOSA-N	1	0	374.441	1.121	20	30		FDEDRO
C[C@H]1CN(C(=O)/C=C/c2ccc(OCC#N)cc2)CC[N@@H+]1CC(C)(C)O	ZINC000188711804	536932937	/nfs/dbraw/zinc/93/29/37/536932937.db2.gz	FEQSMLZURDYBNA-FSNWXROXSA-N	1	0	357.454	1.906	20	30		FDEDRO
C[C@@H](O)C[NH+]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1	ZINC000188722072	536934051	/nfs/dbraw/zinc/93/40/51/536934051.db2.gz	RCALHEZNKRAGCA-QGZVFWFLSA-N	1	0	353.470	1.962	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)CCN1CC(C)(C)O	ZINC000188802244	536951363	/nfs/dbraw/zinc/95/13/63/536951363.db2.gz	KMHJTLTXBNBFCE-LBPRGKRZSA-N	1	0	371.890	1.677	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CCSC1	ZINC000267225513	536963808	/nfs/dbraw/zinc/96/38/08/536963808.db2.gz	VODRKGDFLCBUOD-SFHVURJKSA-N	1	0	374.514	1.222	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1	ZINC000189123454	537001884	/nfs/dbraw/zinc/00/18/84/537001884.db2.gz	XLQCZUNNVMYUBX-INIZCTEOSA-N	1	0	371.485	1.775	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)nc1	ZINC000246721168	537011441	/nfs/dbraw/zinc/01/14/41/537011441.db2.gz	OFQGTYXRAATPQN-MJGOQNOKSA-N	1	0	350.422	1.566	20	30		FDEDRO
CCC[N@H+](CC)CCNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000246803913	537030420	/nfs/dbraw/zinc/03/04/20/537030420.db2.gz	DDGRCUHFVLWQNH-OAHLLOKOSA-N	1	0	359.478	1.300	20	30		FDEDRO
C[C@H](O)C[NH+]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000189351001	537031956	/nfs/dbraw/zinc/03/19/56/537031956.db2.gz	GBONRGOTWKQRSH-ZDUSSCGKSA-N	1	0	350.850	1.539	20	30		FDEDRO
C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(C#N)cc1	ZINC000263654983	537054290	/nfs/dbraw/zinc/05/42/90/537054290.db2.gz	DUNZOUMFSPBJCE-YJBOKZPZSA-N	1	0	371.485	1.861	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1	ZINC000247114335	537083051	/nfs/dbraw/zinc/08/30/51/537083051.db2.gz	VYAWHZKDXWJIHL-KBPBESRZSA-N	1	0	352.479	1.261	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000247316434	537107071	/nfs/dbraw/zinc/10/70/71/537107071.db2.gz	RVNQNYGJWZNCIX-MAUKXSAKSA-N	1	0	364.453	1.882	20	30		FDEDRO
C[C@@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)C(C)(C)C[NH+](C)C	ZINC000247526990	537129377	/nfs/dbraw/zinc/12/93/77/537129377.db2.gz	ZMNMSTANZKMGIN-LSDHHAIUSA-N	1	0	373.505	1.545	20	30		FDEDRO
CCOCCC[NH+]=C(NCc1nncn1CC)NCc1ccc(OC)cc1	ZINC000263967990	537133389	/nfs/dbraw/zinc/13/33/89/537133389.db2.gz	MXINDESTUUALNO-UHFFFAOYSA-N	1	0	374.489	1.969	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(S(=O)(=O)NC)o1)C(C)C	ZINC000263961265	537133453	/nfs/dbraw/zinc/13/34/53/537133453.db2.gz	POFLPKWFIRRWEO-CQSZACIVSA-N	1	0	369.487	1.616	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C	ZINC000247560136	537134598	/nfs/dbraw/zinc/13/45/98/537134598.db2.gz	FWYLSPAWUZGMMG-IHRRRGAJSA-N	1	0	364.877	1.926	20	30		FDEDRO
CN(CCc1ccccn1)C(=O)CNC(=[NH2+])Nc1ccc2c(c1)CCC2	ZINC000264164778	537138799	/nfs/dbraw/zinc/13/87/99/537138799.db2.gz	CADBJLUKKLPROW-UHFFFAOYSA-N	1	0	351.454	1.998	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H](CCSC)NC(N)=O)C(C)C	ZINC000264947839	537150804	/nfs/dbraw/zinc/15/08/04/537150804.db2.gz	XKXSNXDRSMVSOB-CABCVRRESA-N	1	0	356.536	1.591	20	30		FDEDRO
C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1	ZINC000190291894	537161715	/nfs/dbraw/zinc/16/17/15/537161715.db2.gz	AHXJMFLKGUVNKA-CYBMUJFWSA-N	1	0	360.433	1.433	20	30		FDEDRO
C=CCCC[N@@H+](C)CC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O	ZINC000265613893	537162150	/nfs/dbraw/zinc/16/21/50/537162150.db2.gz	LUACZSWKPXJHLU-LJQANCHMSA-N	1	0	374.441	1.391	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1	ZINC000190737481	537184911	/nfs/dbraw/zinc/18/49/11/537184911.db2.gz	XYCYBWYKTPYKQE-UHFFFAOYSA-N	1	0	374.485	1.428	20	30		FDEDRO
[NH2+]=C(NCc1ccc(S(=O)(=O)CCO)cc1)Nc1ccc2c(c1)CCC2	ZINC000191169767	537198914	/nfs/dbraw/zinc/19/89/14/537198914.db2.gz	NKPFXFZYFFGNIJ-UHFFFAOYSA-N	1	0	373.478	1.868	20	30		FDEDRO
CCC[C@]1(COC)CCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000248733474	537209576	/nfs/dbraw/zinc/20/95/76/537209576.db2.gz	LYSPOPFTBPRMRE-UYAOXDASSA-N	1	0	364.534	1.960	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1	ZINC000192154884	537221364	/nfs/dbraw/zinc/22/13/64/537221364.db2.gz	NYVQZJGFUUIYDE-CRAIPNDOSA-N	1	0	362.861	1.964	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1)C[NH+]1CCCC1	ZINC000194157551	537259712	/nfs/dbraw/zinc/25/97/12/537259712.db2.gz	KWNBMZMRTNBTGO-MRXNPFEDSA-N	1	0	356.474	1.517	20	30		FDEDRO
CC(=O)Nc1c[nH]nc1[C@H]1CCCN(CC(=O)N[C@@](C)(C#N)C2CC2)C1	ZINC000332853853	537293132	/nfs/dbraw/zinc/29/31/32/537293132.db2.gz	WBPKZPPUXPXWNJ-UGSOOPFHSA-N	1	0	358.446	1.356	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CCN(CCCO)Cc2ccccc2)nc1	ZINC000290353425	537330423	/nfs/dbraw/zinc/33/04/23/537330423.db2.gz	QGZAHTZANGKUOH-UHFFFAOYSA-N	1	0	359.451	1.612	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@@H](Oc2ncccc2F)C1	ZINC000278851718	537341344	/nfs/dbraw/zinc/34/13/44/537341344.db2.gz	MBPVFMZCRWKFBJ-QWHCGFSZSA-N	1	0	350.394	1.464	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000282905482	537344996	/nfs/dbraw/zinc/34/49/96/537344996.db2.gz	RMAFMOYSKOJTPJ-HNNXBMFYSA-N	1	0	363.487	1.258	20	30		FDEDRO
N#C[C@H](CCc1ccccc1)C(=O)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1	ZINC000333768624	537351390	/nfs/dbraw/zinc/35/13/90/537351390.db2.gz	QXIQPGJYHVCFTL-RBUKOAKNSA-N	1	0	368.481	1.572	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCc2ccc(OC)cc2)CC1	ZINC000283677879	537386252	/nfs/dbraw/zinc/38/62/52/537386252.db2.gz	VVEGPHGBFDDMDH-UHFFFAOYSA-N	1	0	359.470	1.511	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2cccc(COC)c2)CC1	ZINC000283836967	537387746	/nfs/dbraw/zinc/38/77/46/537387746.db2.gz	AKXDMBRVWJTONR-UHFFFAOYSA-N	1	0	359.470	1.606	20	30		FDEDRO
CCC[C@@H]1CN(CC(=O)NCc2ccc(C#N)cc2)CC[N@@H+]1CCOC	ZINC000271016193	537394471	/nfs/dbraw/zinc/39/44/71/537394471.db2.gz	IICBIXPGHQDRAO-LJQANCHMSA-N	1	0	358.486	1.607	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N(C)Cc1cnccn1)C(C)C	ZINC000283970116	537399591	/nfs/dbraw/zinc/39/95/91/537399591.db2.gz	IPFVFMUMFYVNIZ-KRWDZBQOSA-N	1	0	359.474	1.250	20	30		FDEDRO
C=CCN1CC[C@H](N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1=O	ZINC000286008670	537401412	/nfs/dbraw/zinc/40/14/12/537401412.db2.gz	PGTUTZANQBPPCA-RTWAWAEBSA-N	1	0	368.525	1.665	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(C)ccc1Br	ZINC000293261245	537403570	/nfs/dbraw/zinc/40/35/70/537403570.db2.gz	DYPYOBAUCBPLBB-UHFFFAOYSA-N	1	0	366.259	1.767	20	30		FDEDRO
C[NH+](C)CCNC(=O)C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1	ZINC000195340967	537404608	/nfs/dbraw/zinc/40/46/08/537404608.db2.gz	NHIKLNUFRYFBPT-UHFFFAOYSA-N	1	0	356.470	1.407	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000290851002	537427751	/nfs/dbraw/zinc/42/77/51/537427751.db2.gz	RDRDPSLRWNZWOK-XLIONFOSSA-N	1	0	359.470	1.327	20	30		FDEDRO
C#CCNC(=O)CCN(C)CC(=O)Nc1ccc(Br)cc1C	ZINC000293432464	537455119	/nfs/dbraw/zinc/45/51/19/537455119.db2.gz	JJBIUPZBZXICSX-UHFFFAOYSA-N	1	0	366.259	1.767	20	30		FDEDRO
CN1CC[NH+](C[C@@H]2CCCN(C(=O)Cc3ccc(OCC#N)cc3)C2)CC1	ZINC000365222512	537455932	/nfs/dbraw/zinc/45/59/32/537455932.db2.gz	ITXOSLLYBKVKTC-IBGZPJMESA-N	1	0	370.497	1.617	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C(=O)OC)c(C)cc2C)CC1	ZINC000276370455	537455963	/nfs/dbraw/zinc/45/59/63/537455963.db2.gz	VASQTGHGDLLRAC-UHFFFAOYSA-N	1	0	373.453	1.795	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2CC)CC1	ZINC000290913260	537466581	/nfs/dbraw/zinc/46/65/81/537466581.db2.gz	WYMNICXOGWEIQA-UHFFFAOYSA-N	1	0	360.414	1.862	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000271620399	537466796	/nfs/dbraw/zinc/46/67/96/537466796.db2.gz	IGGKHPJWNZJHBE-SMDDNHRTSA-N	1	0	358.446	1.047	20	30		FDEDRO
C=C[C@](C)(CCOC)c1nc(CC(=O)N2CCC([NH+](C)C)CC2)no1	ZINC000350271518	537487859	/nfs/dbraw/zinc/48/78/59/537487859.db2.gz	FNEAAUZMLNMDCC-GOSISDBHSA-N	1	0	350.463	1.645	20	30		FDEDRO
C=CCOCC[NH+]1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000293564959	537515429	/nfs/dbraw/zinc/51/54/29/537515429.db2.gz	SGNLHTYIRJIINK-UHFFFAOYSA-N	1	0	367.471	1.187	20	30		FDEDRO
CN1CCN(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C[C@@H]1C#N	ZINC000274699539	537529595	/nfs/dbraw/zinc/52/95/95/537529595.db2.gz	YAHVNPWWFARYMA-SFHVURJKSA-N	1	0	355.486	1.672	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)c1C#N	ZINC000291155373	537536373	/nfs/dbraw/zinc/53/63/73/537536373.db2.gz	QFDIFNGUWIFRNP-UHFFFAOYSA-N	1	0	352.423	1.933	20	30		FDEDRO
N#Cc1ccc(C[C@@H](C#N)C(=O)NCCCC[N@H+]2CCC[C@H]2CO)cc1	ZINC000281389990	537537089	/nfs/dbraw/zinc/53/70/89/537537089.db2.gz	BLMQGOYIPYNULL-OALUTQOASA-N	1	0	354.454	1.594	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000299326703	537549763	/nfs/dbraw/zinc/54/97/63/537549763.db2.gz	YZYYHQQXXYLCGA-UHFFFAOYSA-N	1	0	366.487	1.340	20	30		FDEDRO
N#Cc1cccc(-n2ccc(C(=O)N[C@H](CO)C[NH+]3CCCCC3)n2)c1	ZINC000293715888	537571438	/nfs/dbraw/zinc/57/14/38/537571438.db2.gz	VCEHQHRUPOAFQG-INIZCTEOSA-N	1	0	353.426	1.321	20	30		FDEDRO
COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)cc1	ZINC000289541081	537577192	/nfs/dbraw/zinc/57/71/92/537577192.db2.gz	MMHBDKWZGYJYRU-UHFFFAOYSA-N	1	0	351.472	1.680	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)ccc1F	ZINC000360399561	537585912	/nfs/dbraw/zinc/58/59/12/537585912.db2.gz	CPTCWUNOMUUQML-CABCVRRESA-N	1	0	367.446	1.307	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)CC1	ZINC000304747992	537598322	/nfs/dbraw/zinc/59/83/22/537598322.db2.gz	GWJXZNGLIDLMPV-MGPQQGTHSA-N	1	0	352.479	1.667	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])N[C@@H]2C[C@@H](OCC)C23CCC3)CC1	ZINC000304791581	537599036	/nfs/dbraw/zinc/59/90/36/537599036.db2.gz	KSKKUQYJKOTRNW-HUUCEWRRSA-N	1	0	352.479	1.859	20	30		FDEDRO
C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000293827659	537602016	/nfs/dbraw/zinc/60/20/16/537602016.db2.gz	WUIQZYOIIWDNBT-VIFPVBQESA-N	1	0	353.220	1.326	20	30		FDEDRO
C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1[C@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000289849396	537602529	/nfs/dbraw/zinc/60/25/29/537602529.db2.gz	PSDCQBWGZOQEAC-LZQZEXGQSA-N	1	0	354.454	1.459	20	30		FDEDRO
C=C(C)COc1cc(C[NH2+]C2CCN(c3nnnn3C)CC2)ccc1OC	ZINC000363485854	537607014	/nfs/dbraw/zinc/60/70/14/537607014.db2.gz	BTGHUNIAVVANPD-UHFFFAOYSA-N	1	0	372.473	1.932	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2CC[NH2+]CC2)c1	ZINC000237090999	537610525	/nfs/dbraw/zinc/61/05/25/537610525.db2.gz	BPTMDBRDAVMPDU-CAPFRKAQSA-N	1	0	364.471	1.438	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)N=c1ccn(CCC#N)[nH]1	ZINC000363554177	537612942	/nfs/dbraw/zinc/61/29/42/537612942.db2.gz	CBRWDABHGZEMCZ-OAGGEKHMSA-N	1	0	360.462	1.808	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CN1C(=S)N=NC1c1cccc(C)c1	ZINC000293912805	537622831	/nfs/dbraw/zinc/62/28/31/537622831.db2.gz	GGKBWXDDHFWSHL-UHFFFAOYSA-N	1	0	357.483	1.614	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3ccc(C#N)c(C)c3)C2)CC1	ZINC000277809769	537623141	/nfs/dbraw/zinc/62/31/41/537623141.db2.gz	HWVKXINXKFZAGL-KRWDZBQOSA-N	1	0	362.499	1.267	20	30		FDEDRO
C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000289960028	537636646	/nfs/dbraw/zinc/63/66/46/537636646.db2.gz	WNGMJWSHBFBGMR-AHRSYUTCSA-N	1	0	368.481	1.849	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[NH2+]C2)ccc1F	ZINC000237732896	537638901	/nfs/dbraw/zinc/63/89/01/537638901.db2.gz	ANRWVDSDYOQRJK-GFCCVEGCSA-N	1	0	355.435	1.019	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)C1	ZINC000329608265	537640187	/nfs/dbraw/zinc/64/01/87/537640187.db2.gz	NAPDPLFHPVQBDG-AIANPOQGSA-N	1	0	352.479	1.888	20	30		FDEDRO
O=C(C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)NC(=O)Nc1ccc2c(c1)OCCO2	ZINC000329609532	537640382	/nfs/dbraw/zinc/64/03/82/537640382.db2.gz	BUUQPSMUKRXANL-YUTCNCBUSA-N	1	0	361.398	1.663	20	30		FDEDRO
C[C@@H](NC(=O)N1CCN(c2ccc(C#N)cn2)CC1)C1=CC[N@H+](C)CC1	ZINC000329712837	537642346	/nfs/dbraw/zinc/64/23/46/537642346.db2.gz	QPGIFIORBBYISX-OAHLLOKOSA-N	1	0	354.458	1.640	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2COCCN2C2CCCC2)C1	ZINC000329864103	537644086	/nfs/dbraw/zinc/64/40/86/537644086.db2.gz	SLDNUXATTPHJBP-MSOLQXFVSA-N	1	0	353.507	1.943	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1	ZINC000330001684	537648808	/nfs/dbraw/zinc/64/88/08/537648808.db2.gz	YETBDEKRRPXFDO-GOEBONIOSA-N	1	0	373.457	1.304	20	30		FDEDRO
C[C@H](NC(=O)N1CCc2c(ncn(C)c2=O)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000330064023	537651253	/nfs/dbraw/zinc/65/12/53/537651253.db2.gz	QOJYQVHLDYINRX-LSDHHAIUSA-N	1	0	373.501	1.705	20	30		FDEDRO
CC(=O)N1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)[C@@H](C)C1	ZINC000330057555	537651452	/nfs/dbraw/zinc/65/14/52/537651452.db2.gz	XRCQUGBPVKJXFE-HNNXBMFYSA-N	1	0	368.547	1.815	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CC[S@](=O)c1ccc2c(c1)OCCO2	ZINC000294077865	537653409	/nfs/dbraw/zinc/65/34/09/537653409.db2.gz	WKRZWMGSCABRRY-VWLOTQADSA-N	1	0	364.467	1.027	20	30		FDEDRO
CCN(C1CCN(C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1)S(C)(=O)=O	ZINC000330661825	537659393	/nfs/dbraw/zinc/65/93/93/537659393.db2.gz	CMRGPCBSUXJSKV-OAHLLOKOSA-N	1	0	374.551	1.378	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](CC(N)=O)C2CCCCC2)nc1	ZINC000290107340	537672552	/nfs/dbraw/zinc/67/25/52/537672552.db2.gz	YANGGYMCHNHRMX-HNNXBMFYSA-N	1	0	364.471	1.141	20	30		FDEDRO
C[NH+]1CCC(CCNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1	ZINC000291821130	537680560	/nfs/dbraw/zinc/68/05/60/537680560.db2.gz	KTPLKMDMTZNXCW-KRWDZBQOSA-N	1	0	357.458	1.848	20	30		FDEDRO
CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc1	ZINC000295984015	537713841	/nfs/dbraw/zinc/71/38/41/537713841.db2.gz	DFVUXDGHDWNLAC-KRWDZBQOSA-N	1	0	372.469	1.389	20	30		FDEDRO
CC(C)(C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cc(F)cc(C#N)c1	ZINC000285475120	537717957	/nfs/dbraw/zinc/71/79/57/537717957.db2.gz	OEBRDBGHFHAWNT-MRXNPFEDSA-N	1	0	360.433	1.431	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1	ZINC000285473738	537717968	/nfs/dbraw/zinc/71/79/68/537717968.db2.gz	KWMCCQRSQIBPHF-HXUWFJFHSA-N	1	0	361.486	1.651	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)N1CCC([NH+](CCOC)CCOC)CC1	ZINC000285526682	537726711	/nfs/dbraw/zinc/72/67/11/537726711.db2.gz	PLTQKJGPWNMRCS-GOSISDBHSA-N	1	0	367.534	1.635	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[N@@H+]2CCCC[C@@H]2COC(=O)N2CCOCC2)cc1	ZINC000375771045	537763104	/nfs/dbraw/zinc/76/31/04/537763104.db2.gz	VCFBUJQXLDZRFL-MOPGFXCFSA-N	1	0	373.453	1.915	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN(CC(=O)NC3(C#N)CCCCC3)C2)CC1	ZINC000375900712	537793813	/nfs/dbraw/zinc/79/38/13/537793813.db2.gz	HZWKTVSMWMLUNI-GOSISDBHSA-N	1	0	361.534	1.429	20	30		FDEDRO
C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCSCc1ccccc1C#N	ZINC000418917812	537846802	/nfs/dbraw/zinc/84/68/02/537846802.db2.gz	IHRDUMDNGHAXSW-RHSMWYFYSA-N	1	0	374.510	1.636	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+]	ZINC000418928737	537855092	/nfs/dbraw/zinc/85/50/92/537855092.db2.gz	VNLJQDMVKNFHQE-GDBMZVCRSA-N	1	0	360.483	1.151	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)NCc1ccc(C[NH+](C)C)c(F)c1	ZINC000409513499	537856940	/nfs/dbraw/zinc/85/69/40/537856940.db2.gz	YFOCNIUMJCPUAZ-UHFFFAOYSA-N	1	0	372.466	1.084	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)NC[C@@H](C1CCCCC1)[NH+](C)C	ZINC000409576562	537863844	/nfs/dbraw/zinc/86/38/44/537863844.db2.gz	WMYNJPVRPKSKHI-INIZCTEOSA-N	1	0	360.524	1.193	20	30		FDEDRO
C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)n1cnc(C#N)n1	ZINC000409806793	537876688	/nfs/dbraw/zinc/87/66/88/537876688.db2.gz	JBGRAPPPEWTLAV-VYDXJSESSA-N	1	0	352.442	1.880	20	30		FDEDRO
COC(=O)[C@@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@H+](C)C1	ZINC000411923663	537905162	/nfs/dbraw/zinc/90/51/62/537905162.db2.gz	WFLWBFVKDHIVJB-ZDUSSCGKSA-N	1	0	364.833	1.187	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(C[NH3+])cc1	ZINC000414803761	537916562	/nfs/dbraw/zinc/91/65/62/537916562.db2.gz	WUACPXFVJRPIDN-UHFFFAOYSA-N	1	0	366.421	1.631	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@](C)(C[NH3+])C2CC2)cc1	ZINC000414886178	537931709	/nfs/dbraw/zinc/93/17/09/537931709.db2.gz	CLETYTDVICEKNW-QGZVFWFLSA-N	1	0	366.487	1.742	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1	ZINC000412076338	537945199	/nfs/dbraw/zinc/94/51/99/537945199.db2.gz	SJRDRWUJMPTISD-CQSZACIVSA-N	1	0	353.463	1.832	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000367135277	537948620	/nfs/dbraw/zinc/94/86/20/537948620.db2.gz	JGTMDRUOXSGKFR-FUHWJXTLSA-N	1	0	364.515	1.824	20	30		FDEDRO
N#CCNC(=O)CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1	ZINC000377033928	537952798	/nfs/dbraw/zinc/95/27/98/537952798.db2.gz	VCWDGINTMNGPGA-SJORKVTESA-N	1	0	355.442	1.075	20	30		FDEDRO
C[N@H+](C[C@H]1CC12CCN(C(=O)N=c1ccn(CCC#N)[nH]1)CC2)C1CC1	ZINC000367302731	537956582	/nfs/dbraw/zinc/95/65/82/537956582.db2.gz	KHQJWORXCXVLNV-OAHLLOKOSA-N	1	0	356.474	2.525	20	30		FDEDRO
N#Cc1cccc(NC(=O)CN2CCC(CC[NH+]3CCOCC3)CC2)c1	ZINC000377482145	537963955	/nfs/dbraw/zinc/96/39/55/537963955.db2.gz	SLODRUAOBIOMTF-UHFFFAOYSA-N	1	0	356.470	1.931	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1	ZINC000419157862	537964104	/nfs/dbraw/zinc/96/41/04/537964104.db2.gz	WULCPTDVSZGNRS-LSDHHAIUSA-N	1	0	351.447	1.114	20	30		FDEDRO
N#Cc1cccc(-c2csc(NC(=O)C(=O)N3CCC(C[NH3+])CC3)n2)c1	ZINC000415304927	537996594	/nfs/dbraw/zinc/99/65/94/537996594.db2.gz	GNYZCFKZPGWSJH-UHFFFAOYSA-N	1	0	369.450	1.818	20	30		FDEDRO
COc1cccc([C@H](CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)[NH+](C)C)c1	ZINC000369219880	538005851	/nfs/dbraw/zinc/00/58/51/538005851.db2.gz	QHBQOIOSINJYNG-HKUYNNGSSA-N	1	0	371.485	1.680	20	30		FDEDRO
CCc1nc(CN2CCC[C@H]([N@H+](C)CC(=O)N[C@@](C)(C#N)C3CC3)C2)no1	ZINC000369234992	538007499	/nfs/dbraw/zinc/00/74/99/538007499.db2.gz	GPARRMLWNIESAR-KXBFYZLASA-N	1	0	374.489	1.337	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)NC[C@@H]3CCC[NH2+]C3)C2)c(F)c1	ZINC000417579897	538053812	/nfs/dbraw/zinc/05/38/12/538053812.db2.gz	QEORUUBGVFGMFY-HZPDHXFCSA-N	1	0	359.449	1.965	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CCCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1	ZINC000415453654	538057178	/nfs/dbraw/zinc/05/71/78/538057178.db2.gz	ZFCQEFFRBJHETC-STQMWFEESA-N	1	0	356.405	2.474	20	30		FDEDRO
C[C@@H]1CCCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)[C@@H]1C[NH3+]	ZINC000415465306	538064324	/nfs/dbraw/zinc/06/43/24/538064324.db2.gz	SHUQVNSDNZNADL-MLGOLLRUSA-N	1	0	356.405	2.474	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC[C@@H]1[NH3+]	ZINC000415466909	538066385	/nfs/dbraw/zinc/06/63/85/538066385.db2.gz	UNMSWZPEIOEHGC-ZANVPECISA-N	1	0	354.332	1.711	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)N2CC[NH2+][C@H](C)C2)c(C#N)cn1CCOC	ZINC000415489514	538068957	/nfs/dbraw/zinc/06/89/57/538068957.db2.gz	MSMZNUCMVQWKDJ-GFCCVEGCSA-N	1	0	363.418	1.008	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1=O	ZINC000369861204	538072132	/nfs/dbraw/zinc/07/21/32/538072132.db2.gz	FSYGOZQUUXUJFZ-SFHVURJKSA-N	1	0	371.485	1.474	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCC(=O)Nc1cccc(C#N)c1	ZINC000369961668	538081857	/nfs/dbraw/zinc/08/18/57/538081857.db2.gz	LNNGSTBBZPIBOP-MNEFBYGVSA-N	1	0	356.470	1.976	20	30		FDEDRO
C=CCN(C(=O)[C@@H]1C[C@]12CC[NH2+]C2)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000444125786	538118740	/nfs/dbraw/zinc/11/87/40/538118740.db2.gz	YWYGIPHCCKAEKW-LJHODMEESA-N	1	0	352.442	1.738	20	30		FDEDRO
C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000423648217	538130861	/nfs/dbraw/zinc/13/08/61/538130861.db2.gz	ILQIMZBWLDLNCX-HOCLYGCPSA-N	1	0	370.453	1.124	20	30		FDEDRO
Cn1ncc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1C(F)(F)F	ZINC000438759207	538131544	/nfs/dbraw/zinc/13/15/44/538131544.db2.gz	RFZSBMCWOWDDQY-UHFFFAOYSA-N	1	0	374.367	1.071	20	30		FDEDRO
N#Cc1cccc(OC2CCN(C(=O)C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CC2)c1	ZINC000419903499	538139518	/nfs/dbraw/zinc/13/95/18/538139518.db2.gz	WVNVTOBOJJSPNE-CVEARBPZSA-N	1	0	370.453	1.314	20	30		FDEDRO
N#Cc1cccc(OC2CCN(C(=O)C(=O)N[C@H]3CCCC[NH2+]C3)CC2)c1	ZINC000419934562	538154443	/nfs/dbraw/zinc/15/44/43/538154443.db2.gz	GFCDHKIOJQRDDY-INIZCTEOSA-N	1	0	370.453	1.186	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1	ZINC000424051746	538223304	/nfs/dbraw/zinc/22/33/04/538223304.db2.gz	KTKKJZNDDHGFQJ-LZWOXQAQSA-N	1	0	365.499	1.596	20	30		FDEDRO
COc1cc(CN2CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C2)cc(OC)c1	ZINC000424150827	538245189	/nfs/dbraw/zinc/24/51/89/538245189.db2.gz	ZOSLDZARAPJQPV-YJBOKZPZSA-N	1	0	360.458	1.415	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O	ZINC000424177466	538249283	/nfs/dbraw/zinc/24/92/83/538249283.db2.gz	UNHUHWQUMGYFQH-STQMWFEESA-N	1	0	368.359	1.948	20	30		FDEDRO
C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)C1	ZINC000433876649	538283261	/nfs/dbraw/zinc/28/32/61/538283261.db2.gz	GEFVGPZCOARAQG-HNNXBMFYSA-N	1	0	358.417	1.826	20	30		FDEDRO
C[C@@H]1C[C@H](NS(=O)(=O)c2cccc(Br)c2C#N)CC[NH2+]1	ZINC000420429651	538294558	/nfs/dbraw/zinc/29/45/58/538294558.db2.gz	AUGWMOILCZFYPX-NXEZZACHSA-N	1	0	358.261	1.740	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1	ZINC000422525958	538295358	/nfs/dbraw/zinc/29/53/58/538295358.db2.gz	JGPXZNDPPWKQOO-MJGOQNOKSA-N	1	0	355.482	1.985	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1CC12CC2	ZINC000422575333	538306922	/nfs/dbraw/zinc/30/69/22/538306922.db2.gz	STTWKARNYWGGGT-QGZVFWFLSA-N	1	0	354.454	1.365	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc(C#N)cc1	ZINC000424535316	538325303	/nfs/dbraw/zinc/32/53/03/538325303.db2.gz	ABZSYYKPLHXWSJ-CABCVRRESA-N	1	0	354.454	1.726	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000441722852	538335717	/nfs/dbraw/zinc/33/57/17/538335717.db2.gz	AOACTFIXEODEOB-DLBZAZTESA-N	1	0	374.416	1.130	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@](C)(C(=O)OC)c1ccc(F)cc1	ZINC000447023918	538341646	/nfs/dbraw/zinc/34/16/46/538341646.db2.gz	RKVZICMEUDTRIW-XIKOKIGWSA-N	1	0	365.405	1.246	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1	ZINC000425873996	538414928	/nfs/dbraw/zinc/41/49/28/538414928.db2.gz	BZJXSEPYKCLHGS-IKGGRYGDSA-N	1	0	365.518	1.711	20	30		FDEDRO
CC(C)(C[NH+]1CCCC1)NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000457051583	538470407	/nfs/dbraw/zinc/47/04/07/538470407.db2.gz	MPFVGHYLHPFBOG-UHFFFAOYSA-N	1	0	352.442	1.930	20	30		FDEDRO
N#CCCCOc1cccnc1NC(=O)NCC1CC[NH+](CCO)CC1	ZINC000466595941	538558492	/nfs/dbraw/zinc/55/84/92/538558492.db2.gz	IINYUQCPCQHZKX-UHFFFAOYSA-N	1	0	361.446	1.590	20	30		FDEDRO
CN1CC[NH+](CCC(C)(C)NC(=O)NCCc2cccc(C#N)c2)CC1	ZINC000466824384	538571347	/nfs/dbraw/zinc/57/13/47/538571347.db2.gz	IFOKBQPPAPCNIZ-UHFFFAOYSA-N	1	0	357.502	1.816	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1	ZINC000483216241	538689009	/nfs/dbraw/zinc/68/90/09/538689009.db2.gz	KAMAUHKRUZAZFG-MRXNPFEDSA-N	1	0	371.485	1.943	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)CC2)c1C#N	ZINC000473001346	538731946	/nfs/dbraw/zinc/73/19/46/538731946.db2.gz	OFXAGYMMDKFXNO-GOSISDBHSA-N	1	0	372.517	1.759	20	30		FDEDRO
CCCCNC(=O)[C@H]1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000497401091	538755638	/nfs/dbraw/zinc/75/56/38/538755638.db2.gz	MPGFDESAWQARSU-SFHVURJKSA-N	1	0	356.470	1.803	20	30		FDEDRO
C[NH+](C)[C@]1(CNS(=O)(=O)c2ccc(C#N)cc2Cl)CCSC1	ZINC000503476777	538807730	/nfs/dbraw/zinc/80/77/30/538807730.db2.gz	PCVCRQBADXNAGY-AWEZNQCLSA-N	1	0	359.904	1.927	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C#N)c2ccccc2F)CC1=O	ZINC000498255820	538818331	/nfs/dbraw/zinc/81/83/31/538818331.db2.gz	UWANIRDRWZSCCJ-IIDMSEBBSA-N	1	0	372.444	1.839	20	30		FDEDRO
C=CCc1cc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc(OC)c1O	ZINC000470023300	538825378	/nfs/dbraw/zinc/82/53/78/538825378.db2.gz	YZHJIFWUZIPUAV-GOSISDBHSA-N	1	0	373.497	1.773	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)CC1(C#N)CCCC1	ZINC000498842153	538858097	/nfs/dbraw/zinc/85/80/97/538858097.db2.gz	DMEDEFYJPJOGIZ-KRWDZBQOSA-N	1	0	370.563	1.748	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)CC[NH+]2CCCC2)cc1	ZINC000481008833	538869018	/nfs/dbraw/zinc/86/90/18/538869018.db2.gz	ZVYUTIJAIXPMSC-AWEZNQCLSA-N	1	0	364.471	1.932	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N[C@@H]3C[C@H]3C3CC[NH2+]CC3)n2)c(F)c1	ZINC000561017924	545655121	/nfs/dbraw/zinc/65/51/21/545655121.db2.gz	KYAKIUVBWONUFU-GOEBONIOSA-N	1	0	368.416	2.393	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2cc(F)ccc2SC)CC1	ZINC000561414499	545838082	/nfs/dbraw/zinc/83/80/82/545838082.db2.gz	FAXOCRDZLXYGNN-UHFFFAOYSA-N	1	0	365.474	1.930	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CCOC)C(CC)CC)CC1	ZINC000561451029	545856754	/nfs/dbraw/zinc/85/67/54/545856754.db2.gz	ZLZHMCZSXRVAER-UHFFFAOYSA-N	1	0	353.507	1.807	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](CC)C2CCOCC2)CC1	ZINC000561453318	545858219	/nfs/dbraw/zinc/85/82/19/545858219.db2.gz	GJFMXBSLHHPCMN-KRWDZBQOSA-N	1	0	351.491	1.465	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N(CCC[NH3+])CC1CCCC1	ZINC000562765474	546258268	/nfs/dbraw/zinc/25/82/68/546258268.db2.gz	QXADXDYSDBHCTP-UHFFFAOYSA-N	1	0	358.442	1.873	20	30		FDEDRO
N#Cc1cccc(NC(=O)C2CCN(C(=O)NC[C@@H]3CCC[NH2+]C3)CC2)c1	ZINC000562812653	546279681	/nfs/dbraw/zinc/27/96/81/546279681.db2.gz	MOZQTNGZIMPCKT-MRXNPFEDSA-N	1	0	369.469	1.918	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H](SC)C2)CC1	ZINC000563322086	546487832	/nfs/dbraw/zinc/48/78/32/546487832.db2.gz	QKPRCAKBBBAXTN-INIZCTEOSA-N	1	0	353.532	1.887	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)ncc1C#N	ZINC000563387692	546513423	/nfs/dbraw/zinc/51/34/23/546513423.db2.gz	WBGMHIRFEBJANM-UHFFFAOYSA-N	1	0	371.466	1.852	20	30		FDEDRO
N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1	ZINC000563432572	546532076	/nfs/dbraw/zinc/53/20/76/546532076.db2.gz	IERNDFNZXIFGCG-SKDRFNHKSA-N	1	0	361.327	1.272	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2	ZINC000563491660	546556211	/nfs/dbraw/zinc/55/62/11/546556211.db2.gz	YDXZPVZFNHZMNL-IBGZPJMESA-N	1	0	357.458	1.655	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)ccc1OC(F)(F)F	ZINC000564059239	546790396	/nfs/dbraw/zinc/79/03/96/546790396.db2.gz	DDNQXRMDIHWMIC-SNVBAGLBSA-N	1	0	370.331	1.593	20	30		FDEDRO
C[C@@H]1CCC[C@@](CNC(=O)C(=O)NCc2ccc(CC#N)cc2)([NH+](C)C)C1	ZINC000564450766	546918042	/nfs/dbraw/zinc/91/80/42/546918042.db2.gz	YWOFRYFUFFSBSZ-IIBYNOLFSA-N	1	0	370.497	1.996	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCC([NH2+]CCOC)CC1	ZINC000564736562	547021089	/nfs/dbraw/zinc/02/10/89/547021089.db2.gz	XWNGANOZPQFCJV-UHFFFAOYSA-N	1	0	373.497	1.471	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1	ZINC000564756540	547026653	/nfs/dbraw/zinc/02/66/53/547026653.db2.gz	VZWYQDXWAXEUFY-CRAIPNDOSA-N	1	0	366.465	1.814	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2CCN(CC(F)(F)F)C2)c1	ZINC000564794155	547040454	/nfs/dbraw/zinc/04/04/54/547040454.db2.gz	VQKGUGYMTNOLNE-ZDUSSCGKSA-N	1	0	361.389	1.558	20	30		FDEDRO
CCc1ccc([C@@H](CNC(=O)Cn2cnc(C#N)n2)[NH+](CC)CC)cc1	ZINC000565140324	547217359	/nfs/dbraw/zinc/21/73/59/547217359.db2.gz	LYYGQHCYBQTEEF-QGZVFWFLSA-N	1	0	354.458	1.911	20	30		FDEDRO
Cc1cc(=NC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)[nH]n1CCC#N	ZINC000565171193	547232387	/nfs/dbraw/zinc/23/23/87/547232387.db2.gz	MCUOPLJOYWTREF-INIZCTEOSA-N	1	0	360.462	1.824	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)NCCCCC#N)c1ccc(Cl)cc1	ZINC000565498463	547374805	/nfs/dbraw/zinc/37/48/05/547374805.db2.gz	YYXYKEFWSNDLJQ-OAHLLOKOSA-N	1	0	350.850	1.869	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C2CCN(c3cccnn3)CC2)cc1	ZINC000566125413	547615727	/nfs/dbraw/zinc/61/57/27/547615727.db2.gz	RXJRAPIDAVTEBJ-UHFFFAOYSA-N	1	0	371.466	1.381	20	30		FDEDRO
N#Cc1ncn(CC[NH2+]C[C@H](O)Cn2c3ccccc3c3ccccc32)n1	ZINC000566129095	547618061	/nfs/dbraw/zinc/61/80/61/547618061.db2.gz	VWOAXUBDCVHHCW-HNNXBMFYSA-N	1	0	360.421	1.908	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)N1CCC(CC[NH3+])CC1	ZINC000566369909	547731772	/nfs/dbraw/zinc/73/17/72/547731772.db2.gz	NPCQJWVOGQCYDF-UHFFFAOYSA-N	1	0	374.510	1.495	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)ncc1C#N	ZINC000566435331	547755323	/nfs/dbraw/zinc/75/53/23/547755323.db2.gz	QNKQJGLGHNAICB-ZDUSSCGKSA-N	1	0	357.439	1.681	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)N[C@]3(CC[N@H+](Cc4ccccc4)C3)C2=O)nc1	ZINC000566469213	547772668	/nfs/dbraw/zinc/77/26/68/547772668.db2.gz	GPWFKHYQDKZRPN-FQEVSTJZSA-N	1	0	361.405	1.650	20	30		FDEDRO
Cc1cccc(N2CC[NH+](CCCNc3ccc(C#N)c(N)n3)CC2)c1	ZINC000566478983	547775122	/nfs/dbraw/zinc/77/51/22/547775122.db2.gz	OZHARYOWHQJRKJ-UHFFFAOYSA-N	1	0	350.470	2.468	20	30		FDEDRO
O=C(NCC#Cc1cccc(F)c1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000566784547	547884008	/nfs/dbraw/zinc/88/40/08/547884008.db2.gz	JNSBEEOXPBGFEQ-MOPGFXCFSA-N	1	0	359.445	1.854	20	30		FDEDRO
CC[NH+]1CCC(N2CCCN(S(=O)(=O)CC3(C#N)CCC3)CC2)CC1	ZINC000566793848	547887519	/nfs/dbraw/zinc/88/75/19/547887519.db2.gz	HRXXGYFRUJTZIK-UHFFFAOYSA-N	1	0	368.547	1.502	20	30		FDEDRO
C[N@H+](C[C@@H](O)CN1CCN([C@H](C#N)c2cccc(Cl)c2)CC1)C1CC1	ZINC000567002414	547960264	/nfs/dbraw/zinc/96/02/64/547960264.db2.gz	OKKHKFOPHDHXLD-RTBURBONSA-N	1	0	362.905	1.977	20	30		FDEDRO
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC([N@@H+]2CCOC[C@H]2C)CC1	ZINC000567062439	547983313	/nfs/dbraw/zinc/98/33/13/547983313.db2.gz	OIFSCCCOHCDYAO-DNVCBOLYSA-N	1	0	357.454	1.957	20	30		FDEDRO
C[NH2+]CCCC(=O)N1CCC(NC(=O)NCC#Cc2ccccc2)CC1	ZINC000567180374	548024732	/nfs/dbraw/zinc/02/47/32/548024732.db2.gz	HKGWLAUHVYUGNE-UHFFFAOYSA-N	1	0	356.470	1.328	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NCCCCC[NH+]1CCCC1	ZINC000567574358	548166411	/nfs/dbraw/zinc/16/64/11/548166411.db2.gz	UXEKIOSVZCBDKQ-UHFFFAOYSA-N	1	0	358.442	1.888	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cc2C1=O	ZINC000567668276	548202214	/nfs/dbraw/zinc/20/22/14/548202214.db2.gz	CIGIFDDDAICPFW-XKQJLSEDSA-N	1	0	353.422	1.668	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c1	ZINC000567686463	548212367	/nfs/dbraw/zinc/21/23/67/548212367.db2.gz	JCQMQFDKJTVCPM-WBVHZDCISA-N	1	0	350.440	1.260	20	30		FDEDRO
N#CCCC1CC[NH+](CC(=O)N(CCC(N)=O)Cc2ccccc2)CC1	ZINC000567790069	548259732	/nfs/dbraw/zinc/25/97/32/548259732.db2.gz	MZYXQEXJNRLXQB-UHFFFAOYSA-N	1	0	356.470	1.906	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N(CC[NH3+])CCc1ccccc1	ZINC000568153686	548416561	/nfs/dbraw/zinc/41/65/61/548416561.db2.gz	SABCZPAOMAILCM-UHFFFAOYSA-N	1	0	353.422	1.976	20	30		FDEDRO
N#CCN1CCC(CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1	ZINC000568201234	548437296	/nfs/dbraw/zinc/43/72/96/548437296.db2.gz	KHCQIPZCLAXQFK-QGZVFWFLSA-N	1	0	350.532	1.556	20	30		FDEDRO
COC[C@]1(CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CCC[NH2+]1	ZINC000568373153	548510666	/nfs/dbraw/zinc/51/06/66/548510666.db2.gz	UYOOMEXZXUFMIW-HXUWFJFHSA-N	1	0	372.469	1.880	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCc2nc(COC)nn2C1	ZINC000569351078	548886691	/nfs/dbraw/zinc/88/66/91/548886691.db2.gz	MJHRQFINNDFDAS-IRXDYDNUSA-N	1	0	372.469	1.497	20	30		FDEDRO
N#CCNC(=O)CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1	ZINC000569828302	549063390	/nfs/dbraw/zinc/06/33/90/549063390.db2.gz	ZHTUNTBXSNEMMJ-UHFFFAOYSA-N	1	0	361.471	1.039	20	30		FDEDRO
CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000569911758	549091736	/nfs/dbraw/zinc/09/17/36/549091736.db2.gz	NRAHBWMGWGMVRZ-UHFFFAOYSA-N	1	0	372.347	1.805	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)NCC(=O)N1CC[NH2+]CC1	ZINC000570303609	549232729	/nfs/dbraw/zinc/23/27/29/549232729.db2.gz	JNTPZBGGVMCEIV-CYBMUJFWSA-N	1	0	361.471	1.492	20	30		FDEDRO
Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]([C@@H](C)C(=O)NC3(C#N)CCC3)C2)nc1	ZINC000570334550	549242884	/nfs/dbraw/zinc/24/28/84/549242884.db2.gz	IMVHXVPNHAEMQN-HOTGVXAUSA-N	1	0	369.469	1.992	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CCC(CC[NH3+])CC1	ZINC000570523511	549310532	/nfs/dbraw/zinc/31/05/32/549310532.db2.gz	WLBMRKOIYVETOP-UHFFFAOYSA-N	1	0	359.470	1.797	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C	ZINC000570759496	549399536	/nfs/dbraw/zinc/39/95/36/549399536.db2.gz	QIAFQVWJJPPXLO-QFBILLFUSA-N	1	0	355.482	1.843	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1	ZINC000570837337	549430638	/nfs/dbraw/zinc/43/06/38/549430638.db2.gz	OJKOGVOWCBUAGG-DKIMLUQUSA-N	1	0	351.491	1.645	20	30		FDEDRO
CC[NH+]1CCC(N2CCCN(S(=O)(=O)c3ccc(C#N)o3)CC2)CC1	ZINC000570839616	549431608	/nfs/dbraw/zinc/43/16/08/549431608.db2.gz	PIEPXRZLACVEGJ-UHFFFAOYSA-N	1	0	366.487	1.332	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CC(=O)N(C3CC3)C2)c(OC)c1	ZINC000570955745	549475536	/nfs/dbraw/zinc/47/55/36/549475536.db2.gz	GNTYDYKUZZUUTN-DOTOQJQBSA-N	1	0	360.454	1.516	20	30		FDEDRO
C[NH+]1CCC(N(C[C@H](O)CC(C)(C)C)S(=O)(=O)CC2(C#N)CC2)CC1	ZINC000570973641	549480997	/nfs/dbraw/zinc/48/09/97/549480997.db2.gz	BAXMBXMYJDWDIZ-MRXNPFEDSA-N	1	0	371.547	1.813	20	30		FDEDRO
N#Cc1csc(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)n1	ZINC000571008653	549491478	/nfs/dbraw/zinc/49/14/78/549491478.db2.gz	CPIZAWHQUVSUHO-NSHDSACASA-N	1	0	368.509	1.877	20	30		FDEDRO
N#CCC1CCN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CC1	ZINC000572032981	549827948	/nfs/dbraw/zinc/82/79/48/549827948.db2.gz	JXOSAMWHYGYWEO-UHFFFAOYSA-N	1	0	370.862	1.552	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)Cc2ccc(CC#N)cc2)C[C@H]1[NH+](C)C	ZINC000572757455	549988420	/nfs/dbraw/zinc/98/84/20/549988420.db2.gz	NTGZKBDANSPEQH-CVEARBPZSA-N	1	0	353.513	1.560	20	30		FDEDRO
C[NH2+]CCSCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000572758502	549988507	/nfs/dbraw/zinc/98/85/07/549988507.db2.gz	MLNAQJIDTBPFTL-MRXNPFEDSA-N	1	0	350.463	1.487	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])cc1F	ZINC000573091044	550062167	/nfs/dbraw/zinc/06/21/67/550062167.db2.gz	UPFQHBNMNDDRGO-GOSISDBHSA-N	1	0	366.396	1.398	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1	ZINC000573344579	550116656	/nfs/dbraw/zinc/11/66/56/550116656.db2.gz	JXYLMAXDDLPLPA-SFHVURJKSA-N	1	0	373.526	1.481	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@H](O)Cc2cccc(F)c2)cc1	ZINC000573564836	550165628	/nfs/dbraw/zinc/16/56/28/550165628.db2.gz	KVSMROOLHMKJSL-MOPGFXCFSA-N	1	0	358.413	1.825	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCN(c3ncccc3F)C2)cc1	ZINC000573597211	550173667	/nfs/dbraw/zinc/17/36/67/550173667.db2.gz	ZAGOLCREGQJVRK-HNNXBMFYSA-N	1	0	374.441	1.735	20	30		FDEDRO
O=C(NCC#Cc1cccc(F)c1)NC1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000573700549	550196005	/nfs/dbraw/zinc/19/60/05/550196005.db2.gz	SNAQLLWCDYJCLA-QGZVFWFLSA-N	1	0	359.445	1.977	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CCn2cnc3ccccc32)c1C#N	ZINC000573965352	550239071	/nfs/dbraw/zinc/23/90/71/550239071.db2.gz	QHPKTEBBBIKVRS-UHFFFAOYSA-N	1	0	351.414	1.812	20	30		FDEDRO
CNC(=O)[C@@H](C[NH2+]Cc1nc(C#N)cs1)Cc1ccc(OC)c(F)c1	ZINC000574039660	550250388	/nfs/dbraw/zinc/25/03/88/550250388.db2.gz	XBHSZUMBGLTUMR-GFCCVEGCSA-N	1	0	362.430	1.857	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1	ZINC000574288347	550289823	/nfs/dbraw/zinc/28/98/23/550289823.db2.gz	ZAXXHASUCQSEEA-OTWHNJEPSA-N	1	0	366.465	1.427	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]CCn2c(=O)[nH]c3ccccc32)cc1	ZINC000574311972	550293949	/nfs/dbraw/zinc/29/39/49/550293949.db2.gz	FEILHAGLGWXOQE-MRXNPFEDSA-N	1	0	366.421	1.837	20	30		FDEDRO
C[C@@H]1[C@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)CC(=O)N1Cc1ccccc1	ZINC000574323604	550295848	/nfs/dbraw/zinc/29/58/48/550295848.db2.gz	BIEPESZJTDSBDY-RDTXWAMCSA-N	1	0	360.421	1.880	20	30		FDEDRO
C[C@@H]1[C@@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)CC(=O)N1Cc1ccccc1	ZINC000574323602	550296185	/nfs/dbraw/zinc/29/61/85/550296185.db2.gz	BIEPESZJTDSBDY-KDOFPFPSSA-N	1	0	360.421	1.880	20	30		FDEDRO
C[NH+]1CCN(C[C@H](NS(=O)(=O)c2ccc(C#N)o2)c2ccccc2)CC1	ZINC000574353054	550300721	/nfs/dbraw/zinc/30/07/21/550300721.db2.gz	XMDYCEHYDNRDLT-KRWDZBQOSA-N	1	0	374.466	1.418	20	30		FDEDRO
CSC1(CNS(=O)(=O)c2ccc(C#N)cc2F)CC[NH+](C)CC1	ZINC000574730220	550361208	/nfs/dbraw/zinc/36/12/08/550361208.db2.gz	ZNCDMVNCDGLJEX-UHFFFAOYSA-N	1	0	357.476	1.803	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@]4(CC[N@@H+](C)C4)C3)cc2C1=O	ZINC000574780154	550369474	/nfs/dbraw/zinc/36/94/74/550369474.db2.gz	YOOKOTCPWSDWFA-HXUWFJFHSA-N	1	0	353.422	1.636	20	30		FDEDRO
CS(=O)(=O)c1ccc(F)c(C[NH2+]C[C@H]2CNc3c(C#N)cnn3C2)c1	ZINC000575046183	550415022	/nfs/dbraw/zinc/41/50/22/550415022.db2.gz	FYZSPEJVQQGFAI-NSHDSACASA-N	1	0	363.418	1.129	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N(C)CCC[N@H+](C)CCN(C)C	ZINC000575831496	550480522	/nfs/dbraw/zinc/48/05/22/550480522.db2.gz	PJHNQOXAGZVUFS-UHFFFAOYSA-N	1	0	368.503	1.071	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)c2cccc(CC#N)c2)(N2CCOCC2)CC1	ZINC000575892646	550487740	/nfs/dbraw/zinc/48/77/40/550487740.db2.gz	JQRVIKVKWZWWMU-UHFFFAOYSA-N	1	0	356.470	1.279	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)ncc1C#N	ZINC000576170357	550519009	/nfs/dbraw/zinc/51/90/09/550519009.db2.gz	HQPJEOREULVJHS-XNRPHZJLSA-N	1	0	355.442	1.389	20	30		FDEDRO
C=C(C)Cn1c(N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)nnc1C(C)(C)C	ZINC000576705117	550577575	/nfs/dbraw/zinc/57/75/75/550577575.db2.gz	LGAFQQQKDNZRRA-INIZCTEOSA-N	1	0	374.533	1.942	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](c3cccnc3)C2)CC1	ZINC000577059405	550615854	/nfs/dbraw/zinc/61/58/54/550615854.db2.gz	OBAZSBUZZGQRRB-OALUTQOASA-N	1	0	355.486	1.563	20	30		FDEDRO
Cc1csc([C@@H](C)C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)n1	ZINC000577485938	550661591	/nfs/dbraw/zinc/66/15/91/550661591.db2.gz	SMJWKDJPLYUOKG-NSHDSACASA-N	1	0	350.469	1.885	20	30		FDEDRO
C=CCn1c(SC[C@@H](O)C[N@@H+](C)CCOC)nc2ccccc2c1=O	ZINC000577510143	550664973	/nfs/dbraw/zinc/66/49/73/550664973.db2.gz	KFPLDQVANPBDBI-AWEZNQCLSA-N	1	0	363.483	1.614	20	30		FDEDRO
N#Cc1ccccc1CSCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000578064089	550724664	/nfs/dbraw/zinc/72/46/64/550724664.db2.gz	RZMNUZLMJLRXOR-MRXNPFEDSA-N	1	0	361.427	1.547	20	30		FDEDRO
Cn1ccnc1[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CCO1	ZINC000578316612	550750807	/nfs/dbraw/zinc/75/08/07/550750807.db2.gz	BCMDHWMJSUIVGG-LNLFQRSKSA-N	1	0	370.453	1.736	20	30		FDEDRO
N#CCCC1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC1	ZINC000578358907	550756133	/nfs/dbraw/zinc/75/61/33/550756133.db2.gz	MZRHJIBAOGEDMX-FUHWJXTLSA-N	1	0	372.444	1.621	20	30		FDEDRO
N#Cc1ncc(C(F)(F)F)cc1N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1	ZINC000578737102	550795643	/nfs/dbraw/zinc/79/56/43/550795643.db2.gz	AVCNZMQOBYUOHF-ZDUSSCGKSA-N	1	0	367.375	1.763	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1	ZINC000578768337	550799999	/nfs/dbraw/zinc/79/99/99/550799999.db2.gz	UBHPXJQKPUCVIM-BBRMVZONSA-N	1	0	353.426	1.367	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1	ZINC000578906751	550814499	/nfs/dbraw/zinc/81/44/99/550814499.db2.gz	SIDBCRZATVUSHM-FUHWJXTLSA-N	1	0	364.515	1.571	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000578981890	550822401	/nfs/dbraw/zinc/82/24/01/550822401.db2.gz	UJVLGBWLEDNISZ-HUUCEWRRSA-N	1	0	372.387	1.908	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]Cc1cc(Br)cc2c1OCC2	ZINC000578999642	550824531	/nfs/dbraw/zinc/82/45/31/550824531.db2.gz	OVEJDPQBHHJOIK-OAHLLOKOSA-N	1	0	368.275	1.680	20	30		FDEDRO
C[N@@H+]1CCCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1	ZINC000579445975	550873734	/nfs/dbraw/zinc/87/37/34/550873734.db2.gz	SYCDKXLHDOCRPU-LJQANCHMSA-N	1	0	373.476	1.172	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1	ZINC000579495228	550879674	/nfs/dbraw/zinc/87/96/74/550879674.db2.gz	RQOVQRFMSDZBAY-UHFFFAOYSA-N	1	0	373.501	1.312	20	30		FDEDRO
CSC[C@H](C)C(=O)N1CCC(C(=O)N[C@@](C)(C#N)CN(C)C)CC1	ZINC000579598628	550891009	/nfs/dbraw/zinc/89/10/09/550891009.db2.gz	MDMXJRDJNLMXCG-GUYCJALGSA-N	1	0	354.520	1.184	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000579696321	550900439	/nfs/dbraw/zinc/90/04/39/550900439.db2.gz	UIKBJLNHSVIXBM-QGZVFWFLSA-N	1	0	352.438	1.426	20	30		FDEDRO
CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)Cc1ccc(CC#N)cc1	ZINC000579953324	550927753	/nfs/dbraw/zinc/92/77/53/550927753.db2.gz	SYYHTHPYWXJNCI-QGZVFWFLSA-N	1	0	353.488	1.529	20	30		FDEDRO
N#Cc1cccc(CCNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1	ZINC000580001921	550932866	/nfs/dbraw/zinc/93/28/66/550932866.db2.gz	AQZDLRZHVVQGEY-OALUTQOASA-N	1	0	356.470	1.778	20	30		FDEDRO
N#Cc1ccc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)nc1N	ZINC000580094720	550943597	/nfs/dbraw/zinc/94/35/97/550943597.db2.gz	UAOQQQPYEVMSPT-UHFFFAOYSA-N	1	0	356.474	1.354	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+][C@@H]3CC(=O)N([C@@H]4C[C@H]4c4ccccc4)C3)cnc12	ZINC000580646549	551004409	/nfs/dbraw/zinc/00/44/09/551004409.db2.gz	LSCGSTBUUSHVFZ-CEXWTWQISA-N	1	0	372.432	1.848	20	30		FDEDRO
C[NH+](C)[C@H]1CN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C[C@@H]1O	ZINC000580784204	551018524	/nfs/dbraw/zinc/01/85/24/551018524.db2.gz	RUBTWUHVMPMMQK-PMACEKPBSA-N	1	0	365.433	1.884	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2	ZINC000581181222	551060921	/nfs/dbraw/zinc/06/09/21/551060921.db2.gz	GALDAQJRZQZEBF-HXUWFJFHSA-N	1	0	357.454	1.470	20	30		FDEDRO
Cn1cc([C@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)C2(CO)CCC2)cn1	ZINC000581407931	551085313	/nfs/dbraw/zinc/08/53/13/551085313.db2.gz	VDBGSKUJNHIROC-HKUYNNGSSA-N	1	0	370.453	1.525	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)C2C[NH+](C3CCCCC3)C2)CC1	ZINC000581473241	551092160	/nfs/dbraw/zinc/09/21/60/551092160.db2.gz	USWUQLYAPXXDNM-UHFFFAOYSA-N	1	0	353.470	1.866	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CCN1Cc1ccccc1	ZINC000581495793	551095965	/nfs/dbraw/zinc/09/59/65/551095965.db2.gz	PBXJFYOAEMTXLF-CVEARBPZSA-N	1	0	363.412	1.403	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1	ZINC000581655707	551117454	/nfs/dbraw/zinc/11/74/54/551117454.db2.gz	SGQMPFIUFZTHDS-HNNXBMFYSA-N	1	0	356.426	1.353	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCc2ccc(C#N)s2)CC1=O	ZINC000582056264	551169370	/nfs/dbraw/zinc/16/93/70/551169370.db2.gz	GBPFHQNICCRCRN-ZIAGYGMSSA-N	1	0	360.483	1.569	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)C1CCN(CC(F)(F)F)CC1	ZINC000582075826	551172858	/nfs/dbraw/zinc/17/28/58/551172858.db2.gz	QZBWDXHOUTVMLH-VXGBXAGGSA-N	1	0	364.412	1.639	20	30		FDEDRO
Cn1nccc1N1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000582176919	551186539	/nfs/dbraw/zinc/18/65/39/551186539.db2.gz	RURLSQDNSNBGDM-QZTJIDSGSA-N	1	0	369.469	1.484	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)cc1	ZINC000582301646	551204306	/nfs/dbraw/zinc/20/43/06/551204306.db2.gz	OIRVZLICAYVOOO-QUCCMNQESA-N	1	0	374.481	1.650	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)Nc3cc(C)cc(C[NH3+])c3)CC2)c1C#N	ZINC000582415502	551221045	/nfs/dbraw/zinc/22/10/45/551221045.db2.gz	ZLWAFOGWXHDSCG-UHFFFAOYSA-N	1	0	367.457	1.721	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2cncc(C#N)c2)C1	ZINC000582455223	551226091	/nfs/dbraw/zinc/22/60/91/551226091.db2.gz	JSMXORXTSFHSFY-HNNXBMFYSA-N	1	0	352.460	1.075	20	30		FDEDRO
Cc1ccc(C(=O)NCC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)cc1	ZINC000582618734	551248760	/nfs/dbraw/zinc/24/87/60/551248760.db2.gz	HOQJYZINIATKMI-GOSISDBHSA-N	1	0	353.422	1.626	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1ccc(CN2CCOCC2)cc1	ZINC000582659282	551252759	/nfs/dbraw/zinc/25/27/59/551252759.db2.gz	GWDMQWRNIDLEST-UHFFFAOYSA-N	1	0	368.485	1.760	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@@H](n4ccnn4)C3)C2=O)cc1	ZINC000582901709	551279077	/nfs/dbraw/zinc/27/90/77/551279077.db2.gz	GVXLMTVJMLKAFS-MSOLQXFVSA-N	1	0	350.426	1.982	20	30		FDEDRO
C=CCCCNC(=O)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1	ZINC000582981709	551288242	/nfs/dbraw/zinc/28/82/42/551288242.db2.gz	DMNAAFHEWZHWNU-UHFFFAOYSA-N	1	0	351.491	1.609	20	30		FDEDRO
Cc1cccc(C[C@@H](CO)[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)c1	ZINC000583024545	551293081	/nfs/dbraw/zinc/29/30/81/551293081.db2.gz	BUVCPOBPLQXJFO-SFHVURJKSA-N	1	0	358.463	1.834	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCN(C(=O)CC)C2)c(OC)c1	ZINC000583258814	551326197	/nfs/dbraw/zinc/32/61/97/551326197.db2.gz	UCOSAOXOCZQYFL-DLBZAZTESA-N	1	0	362.470	1.764	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]CC1(N2CCSCC2)CCCCC1	ZINC000583258750	551326227	/nfs/dbraw/zinc/32/62/27/551326227.db2.gz	SGZUNVNUVMIJMB-QGZVFWFLSA-N	1	0	354.564	1.534	20	30		FDEDRO
C=CCCCNC(=O)C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1	ZINC000583398809	551345757	/nfs/dbraw/zinc/34/57/57/551345757.db2.gz	LVIZMDLSSACUOO-UHFFFAOYSA-N	1	0	365.518	1.999	20	30		FDEDRO
CC(C)[C@@](C)(CO)[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000583410558	551347587	/nfs/dbraw/zinc/34/75/87/551347587.db2.gz	UHPFZEUJJDTIRC-MAUKXSAKSA-N	1	0	364.515	1.454	20	30		FDEDRO
COCC[NH2+]C1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1	ZINC000583505325	551362579	/nfs/dbraw/zinc/36/25/79/551362579.db2.gz	AQVRQXBRAJFNMP-UHFFFAOYSA-N	1	0	364.833	1.377	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCOc2ccc(F)cc2F)nc1	ZINC000583807189	551404747	/nfs/dbraw/zinc/40/47/47/551404747.db2.gz	CGOWYFXAUWGXQY-UHFFFAOYSA-N	1	0	367.377	1.674	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2ccnc(-n3cccn3)c2)cc1	ZINC000583929405	551421948	/nfs/dbraw/zinc/42/19/48/551421948.db2.gz	HMQNTKCLWSRFHR-GOSISDBHSA-N	1	0	363.421	1.863	20	30		FDEDRO
CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1	ZINC000584751017	551541745	/nfs/dbraw/zinc/54/17/45/551541745.db2.gz	SFAUOKWMLIUBBR-CQSZACIVSA-N	1	0	350.394	1.109	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)C1	ZINC000585690412	551582212	/nfs/dbraw/zinc/58/22/12/551582212.db2.gz	ZRLDWIIUMANWLD-MAUKXSAKSA-N	1	0	372.469	1.208	20	30		FDEDRO
CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1	ZINC000586862266	551627045	/nfs/dbraw/zinc/62/70/45/551627045.db2.gz	PQASDVAQVJBSMO-UHFFFAOYSA-N	1	0	374.460	1.894	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c(F)c1	ZINC000586864173	551627449	/nfs/dbraw/zinc/62/74/49/551627449.db2.gz	MXYINXFOUJIPAV-INIZCTEOSA-N	1	0	358.417	1.400	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)NCc1ccc(C#N)cc1F)[N@@H+]1CCC[C@H](C)C1	ZINC000586863519	551627583	/nfs/dbraw/zinc/62/75/83/551627583.db2.gz	PZOVUVHIPKAMLX-KBPBESRZSA-N	1	0	360.433	1.550	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(C#N)cc2F)CC1	ZINC000586864404	551628037	/nfs/dbraw/zinc/62/80/37/551628037.db2.gz	UNNIRPDJVJGPCW-UHFFFAOYSA-N	1	0	358.417	1.470	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)CC1	ZINC000587290852	551631515	/nfs/dbraw/zinc/63/15/15/551631515.db2.gz	NIELBIGFOIUMKL-OAHLLOKOSA-N	1	0	372.469	1.353	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)N[C@H](C)c1cccc(C#N)c1)C[NH+]1CCCCC1	ZINC000587673367	551633903	/nfs/dbraw/zinc/63/39/03/551633903.db2.gz	HUVKOCQANIZZJA-HZPDHXFCSA-N	1	0	356.470	1.974	20	30		FDEDRO
C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1	ZINC000587728916	551635041	/nfs/dbraw/zinc/63/50/41/551635041.db2.gz	IHQBAZSQWPTHBG-LSDHHAIUSA-N	1	0	356.470	1.924	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)c1cccc(C#N)c1	ZINC000587728907	551635321	/nfs/dbraw/zinc/63/53/21/551635321.db2.gz	IHQBAZSQWPTHBG-CABCVRRESA-N	1	0	356.470	1.924	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(C#N)c(Cl)c2)[C@H](C)C1	ZINC000588672851	551674624	/nfs/dbraw/zinc/67/46/24/551674624.db2.gz	LGGWUKHCWQAZND-OLZOCXBDSA-N	1	0	350.850	1.808	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)CC1(C#N)CCCCC1	ZINC000588903516	551698177	/nfs/dbraw/zinc/69/81/77/551698177.db2.gz	BCLNRZLSDANZBY-UHFFFAOYSA-N	1	0	358.552	1.606	20	30		FDEDRO
COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(CC#N)c1	ZINC000589300455	551723764	/nfs/dbraw/zinc/72/37/64/551723764.db2.gz	CTCHIRHVVZYEFK-UHFFFAOYSA-N	1	0	365.499	1.874	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)CC2)c1C#N	ZINC000589612495	551738028	/nfs/dbraw/zinc/73/80/28/551738028.db2.gz	HDKJYYAJFMRESY-HNNXBMFYSA-N	1	0	374.514	1.639	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1	ZINC000589858843	551748451	/nfs/dbraw/zinc/74/84/51/551748451.db2.gz	YWSFYUXIZOWIOS-DLBZAZTESA-N	1	0	354.458	1.412	20	30		FDEDRO
C[NH+](C)CCn1cc(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cn1	ZINC000590121181	551761208	/nfs/dbraw/zinc/76/12/08/551761208.db2.gz	XBOYWNWTNRVESX-INIZCTEOSA-N	1	0	369.429	1.397	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1	ZINC000590204191	551764906	/nfs/dbraw/zinc/76/49/06/551764906.db2.gz	TZCOUQYPDOBVTN-GOSISDBHSA-N	1	0	369.469	1.179	20	30		FDEDRO
C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1	ZINC000590278459	551769142	/nfs/dbraw/zinc/76/91/42/551769142.db2.gz	GKZMUANTNJMOHY-YOEHRIQHSA-N	1	0	356.426	1.470	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1C#N	ZINC000590280419	551769325	/nfs/dbraw/zinc/76/93/25/551769325.db2.gz	HJLKEFRUFRQQNH-CJNGLKHVSA-N	1	0	356.426	1.446	20	30		FDEDRO
N#Cc1ccc(CCC(=O)NC[C@@H]2CCCN(Cc3ncon3)C2)cc1	ZINC000590362576	551775947	/nfs/dbraw/zinc/77/59/47/551775947.db2.gz	QTOQUBYKSGNZFB-KRWDZBQOSA-N	1	0	353.426	1.902	20	30		FDEDRO
CC(C)C[C@H](NC(=O)c1sccc1C#N)C(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000590397924	551779927	/nfs/dbraw/zinc/77/99/27/551779927.db2.gz	JGKPTRPXNOWVGA-CABCVRRESA-N	1	0	362.499	1.927	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@H+]1C	ZINC000590401499	551780170	/nfs/dbraw/zinc/78/01/70/551780170.db2.gz	LTLZCQWGVKGVEH-RBUKOAKNSA-N	1	0	373.501	1.668	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCOC[C@@H]1[C@H]1CCC[N@@H+]1C	ZINC000590562459	551792559	/nfs/dbraw/zinc/79/25/59/551792559.db2.gz	LLHKWQIERNHXRP-HZPDHXFCSA-N	1	0	359.426	1.267	20	30		FDEDRO
C[C@@](CO)([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1cccc(O)c1	ZINC000590742164	551810033	/nfs/dbraw/zinc/81/00/33/551810033.db2.gz	JSPKLTFTGZRSDJ-ICSRJNTNSA-N	1	0	356.422	1.695	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(C(=O)COc3cccc(Br)c3C#N)[C@@H]2C1	ZINC000590765320	551814714	/nfs/dbraw/zinc/81/47/14/551814714.db2.gz	IRAODICSRXGVMQ-BXUZGUMPSA-N	1	0	364.243	1.862	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)[C@@H]2C1	ZINC000590765344	551814758	/nfs/dbraw/zinc/81/47/58/551814758.db2.gz	NIZFCWVKKMDEAS-GRDNDAEWSA-N	1	0	372.856	1.727	20	30		FDEDRO
C[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)C(C)(C)CN1CCOCC1	ZINC000591061085	551840823	/nfs/dbraw/zinc/84/08/23/551840823.db2.gz	SBPPQKPBRVVFGN-SFHVURJKSA-N	1	0	361.486	1.535	20	30		FDEDRO
COC(=O)[C@H]1CN(C(=O)NCc2ccc(C#N)c(Cl)c2)CC[N@H+](C)C1	ZINC000591193182	551850345	/nfs/dbraw/zinc/85/03/45/551850345.db2.gz	DKLFVOYBPJBJEX-CQSZACIVSA-N	1	0	364.833	1.458	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1F	ZINC000591308363	551860048	/nfs/dbraw/zinc/86/00/48/551860048.db2.gz	UEJHCYHUXMDAKN-GJZGRUSLSA-N	1	0	358.417	1.874	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1	ZINC000591308496	551860324	/nfs/dbraw/zinc/86/03/24/551860324.db2.gz	ZHZILXVINRLPRM-DLBZAZTESA-N	1	0	354.454	1.929	20	30		FDEDRO
C[C@@H](NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])c1cccc(C#N)c1	ZINC000591353620	551865147	/nfs/dbraw/zinc/86/51/47/551865147.db2.gz	GEPMKRARONNQLY-RHSMWYFYSA-N	1	0	357.458	1.648	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]([NH3+])c3ccccc3)CC2)c1C#N	ZINC000591359733	551865887	/nfs/dbraw/zinc/86/58/87/551865887.db2.gz	VKALJSRHHKGPGE-QGZVFWFLSA-N	1	0	367.457	1.132	20	30		FDEDRO
C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000591360294	551866253	/nfs/dbraw/zinc/86/62/53/551866253.db2.gz	INIRQUULICMZSE-JSGCOSHPSA-N	1	0	358.446	1.253	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[NH2+][C@@H](C(C)C)C1	ZINC000591574866	551880567	/nfs/dbraw/zinc/88/05/67/551880567.db2.gz	BVZIKSWEYQXDOT-GOSISDBHSA-N	1	0	356.470	1.753	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]CCc1cc(Br)ccc1F	ZINC000591728559	551904333	/nfs/dbraw/zinc/90/43/33/551904333.db2.gz	UKEMAPYOMBJOES-AWEZNQCLSA-N	1	0	358.255	1.927	20	30		FDEDRO
C[S@@](=O)c1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1	ZINC000591750276	551905996	/nfs/dbraw/zinc/90/59/96/551905996.db2.gz	YIORNJHLZRRDAH-HSZRJFAPSA-N	1	0	363.464	1.254	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCN(C3CCCCC3)C2=O)cc1	ZINC000591755947	551906105	/nfs/dbraw/zinc/90/61/05/551906105.db2.gz	CNZHMMHKACQKML-HKUYNNGSSA-N	1	0	357.454	1.821	20	30		FDEDRO
N#C[C@H]1CC[C@@H](NC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000591845247	551911237	/nfs/dbraw/zinc/91/12/37/551911237.db2.gz	YAPNASCLBKBMJP-RBUKOAKNSA-N	1	0	355.486	1.796	20	30		FDEDRO
N#CC[C@]1(O)CCN(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1	ZINC000591909454	551915650	/nfs/dbraw/zinc/91/56/50/551915650.db2.gz	QTQDXTKAOPJBDG-FQEVSTJZSA-N	1	0	371.485	1.259	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H](Cc2cccc(OC)c2)NC(C)=O)CC1	ZINC000592068457	551935447	/nfs/dbraw/zinc/93/54/47/551935447.db2.gz	NEYZKFKQVQOYDU-LJQANCHMSA-N	1	0	359.470	1.509	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN([C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCO2	ZINC000592184716	551955272	/nfs/dbraw/zinc/95/52/72/551955272.db2.gz	NNVPBXAPIFQCBF-LJQANCHMSA-N	1	0	368.481	1.850	20	30		FDEDRO
CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCOc2ccc(C#N)cc2OC)C1	ZINC000592186378	551955473	/nfs/dbraw/zinc/95/54/73/551955473.db2.gz	VTNCFTPQZRZTHC-MRXNPFEDSA-N	1	0	371.359	1.946	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)CC1	ZINC000592351637	551983661	/nfs/dbraw/zinc/98/36/61/551983661.db2.gz	GRZHBLKDMPPWJN-MRXNPFEDSA-N	1	0	372.535	1.140	20	30		FDEDRO
C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000592441966	551996073	/nfs/dbraw/zinc/99/60/73/551996073.db2.gz	BXSRNXXXLFNYII-UONOGXRCSA-N	1	0	358.442	1.170	20	30		FDEDRO
Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]C[C@H]1CNc2c(C#N)cnn2C1	ZINC000592509185	552003648	/nfs/dbraw/zinc/00/36/48/552003648.db2.gz	JIHPLPMFNBDKAY-QRTARXTBSA-N	1	0	355.446	1.267	20	30		FDEDRO
CN(C)C(=O)CCCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593318119	552088666	/nfs/dbraw/zinc/08/86/66/552088666.db2.gz	WBMIXMXRHAYYJC-UHFFFAOYSA-N	1	0	371.485	1.690	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)C[C@H]3CCCC(=O)N3)CC2)c1	ZINC000593350192	552094298	/nfs/dbraw/zinc/09/42/98/552094298.db2.gz	VDYYGBJGVQNDNC-GOSISDBHSA-N	1	0	354.454	1.698	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CC(=O)N(C4CC4)C3)CC2)c1	ZINC000593353053	552094663	/nfs/dbraw/zinc/09/46/63/552094663.db2.gz	MNYPIUQRMCEYFE-KRWDZBQOSA-N	1	0	366.465	1.650	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)CCN3CCCC3=O)CC2)c1	ZINC000593355399	552094718	/nfs/dbraw/zinc/09/47/18/552094718.db2.gz	WPSCJFLYYGWCTE-UHFFFAOYSA-N	1	0	354.454	1.651	20	30		FDEDRO
C[NH+](C)CCN1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1=O	ZINC000593383082	552099835	/nfs/dbraw/zinc/09/98/35/552099835.db2.gz	SOZXYRYPDJOCJT-KRWDZBQOSA-N	1	0	357.458	1.447	20	30		FDEDRO
C[C@]1(CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCC(=O)N1	ZINC000593411666	552104778	/nfs/dbraw/zinc/10/47/78/552104778.db2.gz	BITJFCGTILGVOU-HXUWFJFHSA-N	1	0	369.469	1.491	20	30		FDEDRO
C[NH+](C)CCN1CCN(c2c(C#N)cnc3c(Cl)cccc32)CC1=O	ZINC000593486173	552116133	/nfs/dbraw/zinc/11/61/33/552116133.db2.gz	ODBOLDIJJTYUCY-UHFFFAOYSA-N	1	0	357.845	1.970	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCC(CO)CC3)CC2)c1	ZINC000593509654	552119743	/nfs/dbraw/zinc/11/97/43/552119743.db2.gz	FXPHEPVMZTZRKH-UHFFFAOYSA-N	1	0	356.470	1.937	20	30		FDEDRO
CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc(C#N)cc1C(=O)OC	ZINC000593541600	552127910	/nfs/dbraw/zinc/12/79/10/552127910.db2.gz	CWFWIEDZIJAJFP-GFCCVEGCSA-N	1	0	353.444	1.353	20	30		FDEDRO
C[NH+]1CCC(O)(CNS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)CC1	ZINC000593556834	552132681	/nfs/dbraw/zinc/13/26/81/552132681.db2.gz	LDFLJZODNLAWRH-UHFFFAOYSA-N	1	0	351.472	1.223	20	30		FDEDRO
CN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000593717414	552181460	/nfs/dbraw/zinc/18/14/60/552181460.db2.gz	GBWJVWDMVQAHQU-UHFFFAOYSA-N	1	0	359.474	1.998	20	30		FDEDRO
C[NH2+]Cc1ccccc1CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000593718177	552181873	/nfs/dbraw/zinc/18/18/73/552181873.db2.gz	NBWZFFIYIMOIEL-UHFFFAOYSA-N	1	0	364.453	1.704	20	30		FDEDRO
CC(C)(C#N)c1ccc(S(=O)(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1	ZINC000593732364	552185827	/nfs/dbraw/zinc/18/58/27/552185827.db2.gz	MGSCTYSODUFJSM-INIZCTEOSA-N	1	0	362.499	1.156	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000593733305	552186458	/nfs/dbraw/zinc/18/64/58/552186458.db2.gz	DWFQGKLSFVROAU-YESZJQIVSA-N	1	0	363.483	1.774	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)NCCC2CC[NH2+]CC2)n1	ZINC000593762581	552193479	/nfs/dbraw/zinc/19/34/79/552193479.db2.gz	BISIEIXFQAJSGM-UHFFFAOYSA-N	1	0	356.405	2.394	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cn4cccnc4n3)CC2)c1	ZINC000593881773	552215984	/nfs/dbraw/zinc/21/59/84/552215984.db2.gz	AYQJDIIWMJUPEN-UHFFFAOYSA-N	1	0	360.421	1.995	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)CCCCNC(N)=O)CC2)c1	ZINC000593884554	552216922	/nfs/dbraw/zinc/21/69/22/552216922.db2.gz	YWKXVJHEMVIJSR-UHFFFAOYSA-N	1	0	357.458	1.477	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[C@H](C(N)=O)C3)CC2)c1	ZINC000593886540	552217883	/nfs/dbraw/zinc/21/78/83/552217883.db2.gz	QHRDBJNSZRSMQU-ZWKOTPCHSA-N	1	0	368.481	1.931	20	30		FDEDRO
CCC(C)(C)[NH+]1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1	ZINC000594021890	552239742	/nfs/dbraw/zinc/23/97/42/552239742.db2.gz	ZCUKNBPBNODWIM-GOSISDBHSA-N	1	0	363.550	1.485	20	30		FDEDRO
CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1	ZINC000594351459	552293805	/nfs/dbraw/zinc/29/38/05/552293805.db2.gz	ZOVSXDRMPIQQTM-MJGOQNOKSA-N	1	0	358.486	1.736	20	30		FDEDRO
N#CCCn1ncc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1-c1ccccc1	ZINC000594386172	552300774	/nfs/dbraw/zinc/30/07/74/552300774.db2.gz	MESCWVJMIZXLGS-DLBZAZTESA-N	1	0	365.437	1.355	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000594424292	552308013	/nfs/dbraw/zinc/30/80/13/552308013.db2.gz	AEIJMTISIQPQMU-INIZCTEOSA-N	1	0	364.471	1.821	20	30		FDEDRO
COc1ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc1-n1nnnc1C1CC1	ZINC000594432461	552309156	/nfs/dbraw/zinc/30/91/56/552309156.db2.gz	AQBOXPQKDQRYRD-AWEZNQCLSA-N	1	0	369.429	1.898	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1	ZINC000594432081	552309171	/nfs/dbraw/zinc/30/91/71/552309171.db2.gz	XEKBOZUFYNQNPY-ZWKOTPCHSA-N	1	0	372.469	1.623	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1	ZINC000594436567	552309593	/nfs/dbraw/zinc/30/95/93/552309593.db2.gz	KLWCQXYPHNQMPV-CQSZACIVSA-N	1	0	361.450	1.030	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1	ZINC000594437358	552309876	/nfs/dbraw/zinc/30/98/76/552309876.db2.gz	LNZUGQHFOWZIKA-JKSUJKDBSA-N	1	0	361.421	1.959	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)NCCCc1cc(N)n(-c2ccccc2)n1	ZINC000594439189	552310185	/nfs/dbraw/zinc/31/01/85/552310185.db2.gz	PIRBLQSUHHXZTF-KRWDZBQOSA-N	1	0	354.458	1.915	20	30		FDEDRO
Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)[C@@H]([NH3+])CCCCC#N	ZINC000594442397	552311835	/nfs/dbraw/zinc/31/18/35/552311835.db2.gz	FHFCTVCYYATSNE-RDJZCZTQSA-N	1	0	358.442	1.954	20	30		FDEDRO
CC(=O)N1CCN(Cc2ccccc2NC(=O)[C@H]([NH3+])CCCCC#N)CC1	ZINC000594446773	552311992	/nfs/dbraw/zinc/31/19/92/552311992.db2.gz	SHLKZLDKDXXSIV-GOSISDBHSA-N	1	0	371.485	1.700	20	30		FDEDRO
CC(C)(C)c1csc(NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F)c1C#N	ZINC000594531450	552329282	/nfs/dbraw/zinc/32/92/82/552329282.db2.gz	AUNNJNZYMYVZLP-VIFPVBQESA-N	1	0	362.377	1.862	20	30		FDEDRO
CS(=O)(=O)CC1(CC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000594718868	552362880	/nfs/dbraw/zinc/36/28/80/552362880.db2.gz	WSBYRJZTTJYJTE-OAHLLOKOSA-N	1	0	352.456	1.102	20	30		FDEDRO
Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@@H](CC#N)C1	ZINC000594801019	552389926	/nfs/dbraw/zinc/38/99/26/552389926.db2.gz	JBERRWKTDARRLG-HNNXBMFYSA-N	1	0	353.492	1.376	20	30		FDEDRO
N#CCCCCS(=O)(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1	ZINC000594819548	552397857	/nfs/dbraw/zinc/39/78/57/552397857.db2.gz	KNQVMIYZZGLLDL-KRWDZBQOSA-N	1	0	351.472	1.366	20	30		FDEDRO
N#CCCCCS(=O)(=O)NCC1CC[NH+](Cc2ccncc2)CC1	ZINC000594829478	552400943	/nfs/dbraw/zinc/40/09/43/552400943.db2.gz	KQFQGTSGXDWGGV-UHFFFAOYSA-N	1	0	350.488	1.907	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@]2(CO)COCCN2Cc2ccccc2)s1	ZINC000594989778	552433221	/nfs/dbraw/zinc/43/32/21/552433221.db2.gz	JTLBKJXAVICKPA-IBGZPJMESA-N	1	0	357.479	1.973	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)ccc1C#N	ZINC000595230806	552499039	/nfs/dbraw/zinc/49/90/39/552499039.db2.gz	WJYHTSLCEOBLPK-UHFFFAOYSA-N	1	0	355.442	1.438	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)c1	ZINC000595239891	552502341	/nfs/dbraw/zinc/50/23/41/552502341.db2.gz	FQLXIXNOEUQEGY-QGZVFWFLSA-N	1	0	354.454	1.929	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)ccc1F	ZINC000595240012	552502440	/nfs/dbraw/zinc/50/24/40/552502440.db2.gz	KJVHNFGXEYVOFD-CQSZACIVSA-N	1	0	358.417	1.874	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1	ZINC000595240133	552502775	/nfs/dbraw/zinc/50/27/75/552502775.db2.gz	OVCVPKJMRLAGRS-QGZVFWFLSA-N	1	0	354.454	1.929	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)Nc1cccc(CN2CCCS2(=O)=O)c1	ZINC000595248878	552504890	/nfs/dbraw/zinc/50/48/90/552504890.db2.gz	CSJFNHUCLZKCMX-MRXNPFEDSA-N	1	0	364.471	1.572	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CCCCC1	ZINC000595249272	552505162	/nfs/dbraw/zinc/50/51/62/552505162.db2.gz	LXZFWUGYCIRHBS-UHFFFAOYSA-N	1	0	356.426	1.697	20	30		FDEDRO
N#Cc1ccc(OC2CCC(NC(=O)N3CC4CC3(C[NH3+])C4)CC2)nc1	ZINC000595264927	552507964	/nfs/dbraw/zinc/50/79/64/552507964.db2.gz	ULKVFMLURTUFCB-UHFFFAOYSA-N	1	0	355.442	1.776	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1	ZINC000595283493	552511668	/nfs/dbraw/zinc/51/16/68/552511668.db2.gz	JDQGJULOOFSTFB-HZPDHXFCSA-N	1	0	369.531	1.157	20	30		FDEDRO
C[NH+](C)C[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000595345131	552532220	/nfs/dbraw/zinc/53/22/20/552532220.db2.gz	NAXIZTXLNTZFKP-GFCCVEGCSA-N	1	0	352.416	1.571	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(Cl)c1	ZINC000595384931	552544044	/nfs/dbraw/zinc/54/40/44/552544044.db2.gz	PXGMSELBNRLHAS-AWEZNQCLSA-N	1	0	369.874	1.431	20	30		FDEDRO
Cc1cc(S(=O)(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)ccc1C#N	ZINC000595403782	552551257	/nfs/dbraw/zinc/55/12/57/552551257.db2.gz	IEVCCNLXDZMCSF-INIZCTEOSA-N	1	0	351.472	1.598	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)CCO1	ZINC000595404364	552551515	/nfs/dbraw/zinc/55/15/15/552551515.db2.gz	KUMRQMPTFQXPTR-CQSZACIVSA-N	1	0	355.435	1.429	20	30		FDEDRO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H](Cn2ccnn2)C1	ZINC000595608321	552592080	/nfs/dbraw/zinc/59/20/80/552592080.db2.gz	NRRSYTOZBNFPSA-VZDIDWBNSA-N	1	0	358.490	1.919	20	30		FDEDRO
C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CCC[C@H](CC#N)C1	ZINC000595611924	552592768	/nfs/dbraw/zinc/59/27/68/552592768.db2.gz	PCTXMOKFZZHXCO-JKSUJKDBSA-N	1	0	358.442	1.578	20	30		FDEDRO
N#CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1	ZINC000595618235	552593969	/nfs/dbraw/zinc/59/39/69/552593969.db2.gz	ZNSVCWXRGFBLDF-ZDUSSCGKSA-N	1	0	350.444	1.288	20	30		FDEDRO
N#Cc1sccc1N1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1	ZINC000595632212	552595301	/nfs/dbraw/zinc/59/53/01/552595301.db2.gz	MMVXYFSXMMEFOJ-UHFFFAOYSA-N	1	0	373.526	1.485	20	30		FDEDRO
COc1cc(CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)ccc1C#N	ZINC000595635146	552595815	/nfs/dbraw/zinc/59/58/15/552595815.db2.gz	KMTPILYDFRDLHW-KRWDZBQOSA-N	1	0	358.442	1.619	20	30		FDEDRO
CO[C@]1(CO)CCC[N@@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000595661603	552599355	/nfs/dbraw/zinc/59/93/55/552599355.db2.gz	XPGIAXQEUABOJS-DHRZBBNESA-N	1	0	351.491	1.779	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCC[C@H]2[C@H](C)CO)CC1	ZINC000595673030	552601267	/nfs/dbraw/zinc/60/12/67/552601267.db2.gz	JGKYCFIAOZNXTC-SQNIBIBYSA-N	1	0	350.507	1.162	20	30		FDEDRO
N#Cc1ccc(CCNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1	ZINC000595695147	552603586	/nfs/dbraw/zinc/60/35/86/552603586.db2.gz	OXFQIYAPGOYCDE-RBUKOAKNSA-N	1	0	356.470	1.778	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CCN(c3cnccc3C#N)CC2)C1	ZINC000595704876	552604431	/nfs/dbraw/zinc/60/44/31/552604431.db2.gz	RJOUVRISAIOIBU-INIZCTEOSA-N	1	0	356.474	1.658	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1	ZINC000595717875	552606378	/nfs/dbraw/zinc/60/63/78/552606378.db2.gz	QZXQQTKIBDHHHY-DNVCBOLYSA-N	1	0	352.475	1.701	20	30		FDEDRO
CSC[C@H](O)C[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595730315	552607570	/nfs/dbraw/zinc/60/75/70/552607570.db2.gz	BJJTXQOYOWIVQR-MRXNPFEDSA-N	1	0	357.483	1.794	20	30		FDEDRO
CC[N@H+](C)C[C@@H](O)CN1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595733191	552608459	/nfs/dbraw/zinc/60/84/59/552608459.db2.gz	NGFMRNZVQQXGMQ-GOSISDBHSA-N	1	0	368.485	1.383	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CC[NH+](CC[C@H]4CCNC4=O)CC3)n[nH]2)cc1	ZINC000595736175	552608609	/nfs/dbraw/zinc/60/86/09/552608609.db2.gz	WYIIEDSMLBGLNZ-QGZVFWFLSA-N	1	0	364.453	1.597	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@H](CN4CCCC4=O)C3)C2=O)cc1	ZINC000595828899	552621002	/nfs/dbraw/zinc/62/10/02/552621002.db2.gz	MRAYSQJCEHSDHX-HKUYNNGSSA-N	1	0	366.465	1.998	20	30		FDEDRO
Cn1cc(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000595863077	552625202	/nfs/dbraw/zinc/62/52/02/552625202.db2.gz	KLKIGIMMGDTEMG-FQEVSTJZSA-N	1	0	365.481	1.990	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)C2=O)cc1	ZINC000595862833	552625222	/nfs/dbraw/zinc/62/52/22/552625222.db2.gz	HNPRMCMPDJNYPJ-MOPGFXCFSA-N	1	0	354.454	1.195	20	30		FDEDRO
CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCN(c3ccsc3C#N)CC2)C1(C)C	ZINC000595936517	552635628	/nfs/dbraw/zinc/63/56/28/552635628.db2.gz	BARZKLUKWDJYML-QAPCUYQASA-N	1	0	362.499	1.801	20	30		FDEDRO
COC(=O)c1cnc([C@H]2CCCN(C(=O)[C@H]([NH3+])CCCC#N)C2)s1	ZINC000595996211	552642165	/nfs/dbraw/zinc/64/21/65/552642165.db2.gz	QARUVQYLLZWSSW-NWDGAFQWSA-N	1	0	350.444	1.657	20	30		FDEDRO
CCc1nc(C#N)cc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)n1	ZINC000596189857	552663138	/nfs/dbraw/zinc/66/31/38/552663138.db2.gz	MBTCBLQJMAAKDE-SFHVURJKSA-N	1	0	351.454	2.479	20	30		FDEDRO
Cc1nnc(Cn2c3c(cc(C#N)c2=O)C[N@@H+](Cc2ccccc2)CC3)n1C	ZINC000596316881	552673864	/nfs/dbraw/zinc/67/38/64/552673864.db2.gz	OBELVLRNORAXLZ-UHFFFAOYSA-N	1	0	374.448	1.764	20	30		FDEDRO
C=CCCNc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-]	ZINC000596411525	552677600	/nfs/dbraw/zinc/67/76/00/552677600.db2.gz	CVUBDXVXOKUKTA-UHFFFAOYSA-N	1	0	356.448	1.813	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c1	ZINC000596569937	552689814	/nfs/dbraw/zinc/68/98/14/552689814.db2.gz	OLBBYSIDRSYIKP-QGZVFWFLSA-N	1	0	354.454	1.929	20	30		FDEDRO
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21	ZINC000596632568	552695532	/nfs/dbraw/zinc/69/55/32/552695532.db2.gz	LUXORHWPYJVAOV-SFHVURJKSA-N	1	0	371.485	1.597	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000596675132	552700022	/nfs/dbraw/zinc/70/00/22/552700022.db2.gz	XPLDQDHEYBACQH-FQEVSTJZSA-N	1	0	369.513	1.912	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1	ZINC000596879552	552720662	/nfs/dbraw/zinc/72/06/62/552720662.db2.gz	BZMWKTDLKPTEIX-RTBURBONSA-N	1	0	355.486	1.890	20	30		FDEDRO
Cc1cc(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(C#N)cc1N(C)C	ZINC000596910672	552723842	/nfs/dbraw/zinc/72/38/42/552723842.db2.gz	VTQSSSTYXLTGMP-KRWDZBQOSA-N	1	0	371.485	1.996	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCc2nc[nH]c2C1	ZINC000596974569	552730468	/nfs/dbraw/zinc/73/04/68/552730468.db2.gz	PYCUHNIIQFMFKD-KRWDZBQOSA-N	1	0	351.454	1.977	20	30		FDEDRO
CN(C)S(=O)(=O)N1CCC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)CC1	ZINC000597133765	552750990	/nfs/dbraw/zinc/75/09/90/552750990.db2.gz	XVVDFMLXFUIXAV-UHFFFAOYSA-N	1	0	362.499	1.556	20	30		FDEDRO
CN1CCc2[nH]c3ccc(C(=O)NC4(C#N)CC[NH+](C)CC4)cc3c2C1	ZINC000597166816	552756348	/nfs/dbraw/zinc/75/63/48/552756348.db2.gz	RUPCOQJRZSXVPI-UHFFFAOYSA-N	1	0	351.454	1.874	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+][C@@H]3C[C@@H](N4CCOCC4)C34CCC4)cnc12	ZINC000597227355	552762941	/nfs/dbraw/zinc/76/29/41/552762941.db2.gz	RCQWEWCHVUEVRR-IAGOWNOFSA-N	1	0	352.442	1.334	20	30		FDEDRO
N#CC1(CC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCOCC1	ZINC000597321365	552775006	/nfs/dbraw/zinc/77/50/06/552775006.db2.gz	VUUZXARPPBXKDL-HXUWFJFHSA-N	1	0	357.454	1.450	20	30		FDEDRO
N#CC1(CNC(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC1	ZINC000597433469	552788762	/nfs/dbraw/zinc/78/87/62/552788762.db2.gz	NADMESMNACNJLZ-AWEZNQCLSA-N	1	0	357.462	1.012	20	30		FDEDRO
Cc1nc(SCC(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c(C#N)c(C)c1C	ZINC000597627307	552814226	/nfs/dbraw/zinc/81/42/26/552814226.db2.gz	YJGXGNCFOCCREG-MRXNPFEDSA-N	1	0	373.526	1.477	20	30		FDEDRO
CC(C)C[C@H](NC(=O)c1ccc(C#N)s1)C(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000597693250	552822865	/nfs/dbraw/zinc/82/28/65/552822865.db2.gz	UASFNNMXRIVOOT-ZFWWWQNUSA-N	1	0	362.499	1.927	20	30		FDEDRO
N#CC1(CC(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CCOCC1	ZINC000597993171	552854031	/nfs/dbraw/zinc/85/40/31/552854031.db2.gz	ZWKQFFWAGLCKFG-SFHVURJKSA-N	1	0	357.454	1.580	20	30		FDEDRO
N#Cc1cc(F)cc(C2(C(=O)N3CCC([N@@H+]4CC[C@H](O)C4)CC3)CC2)c1	ZINC000598451752	552897043	/nfs/dbraw/zinc/89/70/43/552897043.db2.gz	ZCZICKIXFMZECB-SFHVURJKSA-N	1	0	357.429	1.787	20	30		FDEDRO
Cc1nc2c(cnn2C)c(N2CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC2)n1	ZINC000598587572	552912013	/nfs/dbraw/zinc/91/20/13/552912013.db2.gz	CBPWCFDNYSMGMP-AWEZNQCLSA-N	1	0	357.462	1.095	20	30		FDEDRO
CC(=O)N[C@]1(c2nc(C)cs2)CC[N@H+](C[C@H](O)CC(C)(C)C#N)C1	ZINC000598607478	552915001	/nfs/dbraw/zinc/91/50/01/552915001.db2.gz	PRCIBBZZRBSJAE-RHSMWYFYSA-N	1	0	350.488	1.789	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC(C)(C)CC[C@H]2CO)CC1	ZINC000598645987	552919670	/nfs/dbraw/zinc/91/96/70/552919670.db2.gz	BISBWOHVRDYFBJ-IRXDYDNUSA-N	1	0	350.507	1.162	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)[C@@H]1COC(C)(C)C1	ZINC000599224671	552992579	/nfs/dbraw/zinc/99/25/79/552992579.db2.gz	CXIUWANBKLBFOX-KRWDZBQOSA-N	1	0	365.499	1.819	20	30		FDEDRO
COc1ccccc1C[N@H+](CCO)C[C@@H](O)COc1ccccc1C#N	ZINC000599283628	553014695	/nfs/dbraw/zinc/01/46/95/553014695.db2.gz	AVZPSJWMLOJOFA-GOSISDBHSA-N	1	0	356.422	1.801	20	30		FDEDRO
COc1ccnc(N2CC[NH+](C[C@H](O)CC3(C#N)CCOCC3)CC2)c1	ZINC000599285252	553014756	/nfs/dbraw/zinc/01/47/56/553014756.db2.gz	NJLQUGBVCMNFBQ-MRXNPFEDSA-N	1	0	360.458	1.284	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)CCOCC1	ZINC000599297826	553019249	/nfs/dbraw/zinc/01/92/49/553019249.db2.gz	PTBVCKYQRVOYGI-DLBZAZTESA-N	1	0	369.469	1.980	20	30		FDEDRO
CCCC[N@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@@H]1CCS(=O)(=O)C1	ZINC000599326877	553028221	/nfs/dbraw/zinc/02/82/21/553028221.db2.gz	OUPYWSGPWNWBOO-HZPDHXFCSA-N	1	0	358.504	1.347	20	30		FDEDRO
CC(=O)N1CC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)CC12CCCCC2	ZINC000599339859	553031805	/nfs/dbraw/zinc/03/18/05/553031805.db2.gz	WNVAHPBYEIDVRC-SFHVURJKSA-N	1	0	363.502	1.925	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1ccc(-n2cncn2)cc1	ZINC000599344510	553032890	/nfs/dbraw/zinc/03/28/90/553032890.db2.gz	DSFRXLGCOQSCTO-YJBOKZPZSA-N	1	0	355.442	1.989	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@]2(C1)C(=O)Nc1ccccc12	ZINC000599380134	553040694	/nfs/dbraw/zinc/04/06/94/553040694.db2.gz	BUKDPXZRRJZVFQ-IIBYNOLFSA-N	1	0	363.417	1.894	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)CC1	ZINC000599381412	553041086	/nfs/dbraw/zinc/04/10/86/553041086.db2.gz	XKHZGOYQJIUJRG-GFCCVEGCSA-N	1	0	362.380	1.422	20	30		FDEDRO
Cn1cc([C@H]2CSCCN2C[C@@H](O)CC2(C#N)CCOCC2)cn1	ZINC000599391611	553043247	/nfs/dbraw/zinc/04/32/47/553043247.db2.gz	OCBLOMBZFMCOIE-JKSUJKDBSA-N	1	0	350.488	1.581	20	30		FDEDRO
Cn1cc([C@@H]([NH2+]C[C@H](O)COc2ccccc2C#N)C2(CO)CCC2)cn1	ZINC000599428444	553054639	/nfs/dbraw/zinc/05/46/39/553054639.db2.gz	KCRIHLPEUKRDEN-PKOBYXMFSA-N	1	0	370.453	1.525	20	30		FDEDRO
COc1ccc(N2CC[NH+](C[C@H](O)CC3(C#N)CCOCC3)CC2)nc1	ZINC000599434726	553056112	/nfs/dbraw/zinc/05/61/12/553056112.db2.gz	GPLFUYPSUFBAOD-MRXNPFEDSA-N	1	0	360.458	1.284	20	30		FDEDRO
CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC#CCN1C(=O)c2ccccc2C1=O	ZINC000599433658	553056195	/nfs/dbraw/zinc/05/61/95/553056195.db2.gz	VDDIAMGNFFPLQL-SJORKVTESA-N	1	0	354.406	1.607	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)CCOCC1	ZINC000599436387	553056220	/nfs/dbraw/zinc/05/62/20/553056220.db2.gz	JXQUIQISLDSNLM-XLIONFOSSA-N	1	0	357.454	1.187	20	30		FDEDRO
N#Cc1ccc(C2([NH2+]CC(=O)N3CCOC[C@@H]3C3CC3)CCOCC2)cc1	ZINC000599633694	553109016	/nfs/dbraw/zinc/10/90/16/553109016.db2.gz	FPYCDDNJWVIZTO-LJQANCHMSA-N	1	0	369.465	1.791	20	30		FDEDRO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)CC1	ZINC000599685483	553121240	/nfs/dbraw/zinc/12/12/40/553121240.db2.gz	YMYRIVYLJQNDOV-YIOZNXECSA-N	1	0	374.510	1.302	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O	ZINC000599725813	553131308	/nfs/dbraw/zinc/13/13/08/553131308.db2.gz	HFAQQBQJHPWNKJ-INIZCTEOSA-N	1	0	373.457	1.807	20	30		FDEDRO
COc1cc(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c(F)cc1C#N	ZINC000599814774	553154184	/nfs/dbraw/zinc/15/41/84/553154184.db2.gz	LOBLRQNGRYRQCS-CYBMUJFWSA-N	1	0	363.437	1.853	20	30		FDEDRO
Cc1nc(SCC(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)c(C#N)c(C)c1C	ZINC000599938078	553178561	/nfs/dbraw/zinc/17/85/61/553178561.db2.gz	LQZOQISJSOYOFA-CVEARBPZSA-N	1	0	374.510	1.638	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NCCCC[N@H+](C)C2CC2)c(F)cc1C#N	ZINC000599981163	553192172	/nfs/dbraw/zinc/19/21/72/553192172.db2.gz	UTDGDKZBCVNTIX-UHFFFAOYSA-N	1	0	362.405	1.635	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCC([N@@H+]2CCCOCC2)CC1	ZINC000600007500	553198717	/nfs/dbraw/zinc/19/87/17/553198717.db2.gz	UXXKFQZBDPUYSM-UHFFFAOYSA-N	1	0	373.453	1.659	20	30		FDEDRO
N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)cc1	ZINC000600009017	553198933	/nfs/dbraw/zinc/19/89/33/553198933.db2.gz	VDJZMYKRQQMKOZ-IBGZPJMESA-N	1	0	366.465	1.954	20	30		FDEDRO
CC(C)(C)c1csc(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c1C#N	ZINC000600071014	553212728	/nfs/dbraw/zinc/21/27/28/553212728.db2.gz	SNJIJDUGXAVUKT-LLVKDONJSA-N	1	0	364.471	1.039	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]Cc1cccc(C(=O)NC2CC2)c1	ZINC000600717153	553306160	/nfs/dbraw/zinc/30/61/60/553306160.db2.gz	OGTMFAKUBAFMSH-IBGZPJMESA-N	1	0	365.433	1.980	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccccc1Cn1cncn1	ZINC000600715883	553306412	/nfs/dbraw/zinc/30/64/12/553306412.db2.gz	DKQUKKHAYQRUAJ-IBGZPJMESA-N	1	0	363.421	1.728	20	30		FDEDRO
CC(C)NS(=O)(=O)c1cccc(C[NH2+]C[C@@H](O)CC2(C#N)CC2)c1	ZINC000600719836	553306681	/nfs/dbraw/zinc/30/66/81/553306681.db2.gz	WYSIHUOSVKGUSJ-HNNXBMFYSA-N	1	0	351.472	1.518	20	30		FDEDRO
C[C@@H]1CN(C(C)(C)C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)C[C@@H](C)O1	ZINC000600718321	553306689	/nfs/dbraw/zinc/30/66/89/553306689.db2.gz	QORULZYXTAMOJD-BRWVUGGUSA-N	1	0	353.507	1.535	20	30		FDEDRO
CC(C)NS(=O)(=O)c1cccc(C[NH2+]C[C@H](O)CC2(C#N)CC2)c1	ZINC000600719841	553306810	/nfs/dbraw/zinc/30/68/10/553306810.db2.gz	WYSIHUOSVKGUSJ-OAHLLOKOSA-N	1	0	351.472	1.518	20	30		FDEDRO
C[C@@H]1CN(C(C)(C)C[NH2+]C[C@H](O)COc2ccccc2C#N)C[C@@H](C)O1	ZINC000600720499	553307101	/nfs/dbraw/zinc/30/71/01/553307101.db2.gz	ZFPRLJVXHCAMMV-NUJGCVRESA-N	1	0	361.486	1.775	20	30		FDEDRO
COc1ccccc1CC(=O)N1CCC([NH2+]C[C@@H](O)CC2(C#N)CC2)CC1	ZINC000600725487	553308076	/nfs/dbraw/zinc/30/80/76/553308076.db2.gz	XIEUWQXXZLHIIR-SFHVURJKSA-N	1	0	371.481	1.873	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)CCOCC1	ZINC000600739731	553309550	/nfs/dbraw/zinc/30/95/50/553309550.db2.gz	UELBVXJVNKDBGV-VQTJNVASSA-N	1	0	373.497	1.067	20	30		FDEDRO
COc1ccc(CN2CC[C@H]([NH2+]C[C@@H](O)CC3(C#N)CC3)C2=O)c(OC)c1	ZINC000600739794	553309640	/nfs/dbraw/zinc/30/96/40/553309640.db2.gz	FVWKFRKOYNHTOK-RDJZCZTQSA-N	1	0	373.453	1.449	20	30		FDEDRO
Cc1cccc2c1C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)CO2	ZINC000600746584	553310238	/nfs/dbraw/zinc/31/02/38/553310238.db2.gz	IRPBTAVSJUWXTE-HNNXBMFYSA-N	1	0	357.435	1.629	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)CCOCC1	ZINC000600749762	553311030	/nfs/dbraw/zinc/31/10/30/553311030.db2.gz	RKLDYVWRIGCMSC-RCCFBDPRSA-N	1	0	363.502	1.291	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1=O	ZINC000600762333	553312519	/nfs/dbraw/zinc/31/25/19/553312519.db2.gz	QRPUFPVOYHCHDT-HIFRSBDPSA-N	1	0	368.840	1.380	20	30		FDEDRO
C[N@H+](CC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)C1CCC1	ZINC000600816225	553318278	/nfs/dbraw/zinc/31/82/78/553318278.db2.gz	LVPNYXOKHIXVGM-UHFFFAOYSA-N	1	0	366.469	1.859	20	30		FDEDRO
CC(C)CN(c1ccc(C#N)cc1)S(=O)(=O)C[C@@H]1CN(C)CCO1	ZINC000601323910	553375983	/nfs/dbraw/zinc/37/59/83/553375983.db2.gz	QWGUFKPFMQFMSN-KRWDZBQOSA-N	1	0	351.472	1.681	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2c(C)cc(F)cc2C#N)CC1	ZINC000601399185	553394383	/nfs/dbraw/zinc/39/43/83/553394383.db2.gz	NXFQZXDNCOQLDB-AWEZNQCLSA-N	1	0	368.478	1.310	20	30		FDEDRO
Cc1cc(F)cc(C#N)c1S(=O)(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	ZINC000601409869	553397747	/nfs/dbraw/zinc/39/77/47/553397747.db2.gz	XYUCLFLWNPHKFT-UHFFFAOYSA-N	1	0	368.478	1.310	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000601482377	553417156	/nfs/dbraw/zinc/41/71/56/553417156.db2.gz	UDZDZXLWICIAGS-WMZOPIPTSA-N	1	0	364.515	1.824	20	30		FDEDRO
Cc1cccc(C[N@H+]2CC[C@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C2)c1	ZINC000601523059	553428232	/nfs/dbraw/zinc/42/82/32/553428232.db2.gz	OBQIUDZSKTYCSB-RDJZCZTQSA-N	1	0	350.488	1.638	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@]2(C(=O)OCC)CCCOC2)CC1	ZINC000601572201	553437809	/nfs/dbraw/zinc/43/78/09/553437809.db2.gz	PQQCETYGWMBVBJ-LJQANCHMSA-N	1	0	367.490	1.686	20	30		FDEDRO
C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000601575477	553438497	/nfs/dbraw/zinc/43/84/97/553438497.db2.gz	QOPNURBNQMORCA-PSASIEDQSA-N	1	0	351.204	1.207	20	30		FDEDRO
C[C@](O)(C[C@@H](O)C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1CC1	ZINC000601967168	553496787	/nfs/dbraw/zinc/49/67/87/553496787.db2.gz	UHVZUAQEBVTJMV-GGPKGHCWSA-N	1	0	357.454	1.555	20	30		FDEDRO
COc1cccc(Cl)c1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000602036382	553505725	/nfs/dbraw/zinc/50/57/25/553505725.db2.gz	WYAULWZIPPAGRC-UHFFFAOYSA-N	1	0	366.849	1.981	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1cc(F)cc(C#N)c1	ZINC000602044191	553506837	/nfs/dbraw/zinc/50/68/37/553506837.db2.gz	SCJWWHVSVJCPHH-CYBMUJFWSA-N	1	0	374.416	1.348	20	30		FDEDRO
C[NH+](C)CCn1c2cc(C(=O)N3CCSC[C@H]3C#N)ccc2[nH]c1=O	ZINC000602132213	553524698	/nfs/dbraw/zinc/52/46/98/553524698.db2.gz	IOBNBGGSNZACCR-CYBMUJFWSA-N	1	0	359.455	1.385	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(C#N)cc1	ZINC000602230244	553543469	/nfs/dbraw/zinc/54/34/69/553543469.db2.gz	LIWVRTBNSDFEFV-RDTXWAMCSA-N	1	0	354.454	1.869	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C2([S@](C)=O)CC[NH2+]CC2)cc1	ZINC000602437888	553581353	/nfs/dbraw/zinc/58/13/53/553581353.db2.gz	FFFOJVKRMSQREH-VWLOTQADSA-N	1	0	364.471	1.433	20	30		FDEDRO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@]1(N2CCOCC2)CCSC1	ZINC000602532987	553600168	/nfs/dbraw/zinc/60/01/68/553600168.db2.gz	XVNPVTSYPYKPAT-WMZOPIPTSA-N	1	0	353.532	1.883	20	30		FDEDRO
CC(C)NC(=O)c1cnn2c1C[C@@H](C[NH2+]Cc1cccc(C#N)n1)CC2	ZINC000602627793	553614243	/nfs/dbraw/zinc/61/42/43/553614243.db2.gz	TZASWRWNOPIKJS-AWEZNQCLSA-N	1	0	352.442	1.640	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@@H](n4ccnn4)CC3)C2=O)cc1	ZINC000602887596	553660317	/nfs/dbraw/zinc/66/03/17/553660317.db2.gz	IAZUJQJQTUFUAJ-QZTJIDSGSA-N	1	0	350.426	1.982	20	30		FDEDRO
N#Cc1cccc(C2([NH2+]C[C@H](O)CC3(O)CCOCC3)CCOCC2)c1	ZINC000602894900	553663859	/nfs/dbraw/zinc/66/38/59/553663859.db2.gz	JPSSBGRDICJACV-GOSISDBHSA-N	1	0	360.454	1.446	20	30		FDEDRO
Cc1cc(N(CCC#N)C(=O)CN2C[C@@H](O)C[C@]2(C)CO)ccc1Cl	ZINC000602905118	553665999	/nfs/dbraw/zinc/66/59/99/553665999.db2.gz	FXTLDMSCXCEAFF-MAUKXSAKSA-N	1	0	365.861	1.713	20	30		FDEDRO
COC(=O)C1CCN(C(=O)C[NH+]2CCC(c3ccc(C#N)cn3)CC2)CC1	ZINC000602912590	553667596	/nfs/dbraw/zinc/66/75/96/553667596.db2.gz	NXFWNSGOAXLJTD-UHFFFAOYSA-N	1	0	370.453	1.544	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1	ZINC000602917960	553669352	/nfs/dbraw/zinc/66/93/52/553669352.db2.gz	JWCCCHYQIUEJOL-KMUNFCNLSA-N	1	0	353.369	1.785	20	30		FDEDRO
C[C@@H]1CN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C[C@@H](C)N1CC#N	ZINC000603082680	553706325	/nfs/dbraw/zinc/70/63/25/553706325.db2.gz	HJEZEVFQXXFUCQ-HUUCEWRRSA-N	1	0	359.478	1.600	20	30		FDEDRO
N#Cc1cccc(CNC(=O)Cn2cc(CC[NH+]3CCCCC3)nn2)c1	ZINC000603211304	553733372	/nfs/dbraw/zinc/73/33/72/553733372.db2.gz	QJYKUWNNJPUJBF-UHFFFAOYSA-N	1	0	352.442	1.495	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000603823205	553819349	/nfs/dbraw/zinc/81/93/49/553819349.db2.gz	MGYUTJLOZBUHCK-DCGLDWPTSA-N	1	0	366.487	1.428	20	30		FDEDRO
COc1ccc(CN2C[C@H](C(=O)NC3(C#N)CC[NH+](C)CC3)CC2=O)cc1	ZINC000608839106	554323683	/nfs/dbraw/zinc/32/36/83/554323683.db2.gz	KZZBXZFCXOLDAV-MRXNPFEDSA-N	1	0	370.453	1.148	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC000608866996	554326131	/nfs/dbraw/zinc/32/61/31/554326131.db2.gz	GIQHMDPSMLPTBD-GOEBONIOSA-N	1	0	358.442	1.029	20	30		FDEDRO
CN1CCN(c2cc[nH+]cc2NC(=O)CNc2ccc(C#N)cc2)CC1	ZINC000608877915	554326838	/nfs/dbraw/zinc/32/68/38/554326838.db2.gz	BVYHBTQKXCCPOQ-UHFFFAOYSA-N	1	0	350.426	1.756	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1	ZINC000609114940	554338556	/nfs/dbraw/zinc/33/85/56/554338556.db2.gz	SOPXOWHELDQAJO-RTBURBONSA-N	1	0	356.470	1.754	20	30		FDEDRO
C[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(C#N)cc1	ZINC000609199559	554349013	/nfs/dbraw/zinc/34/90/13/554349013.db2.gz	AIAKVZXJSGMQMC-RHSMWYFYSA-N	1	0	357.458	1.506	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1	ZINC000609286049	554359702	/nfs/dbraw/zinc/35/97/02/554359702.db2.gz	WDKRAJISOPNBHX-ZCNNSNEGSA-N	1	0	368.481	1.585	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CCNC(=O)NC2CCN(CC#N)CC2)cc1	ZINC000609337207	554368025	/nfs/dbraw/zinc/36/80/25/554368025.db2.gz	ZMTMXXXDACGSQG-UHFFFAOYSA-N	1	0	373.501	1.457	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1	ZINC000609401688	554374837	/nfs/dbraw/zinc/37/48/37/554374837.db2.gz	SMEHXEKGXILPCG-AWEZNQCLSA-N	1	0	372.473	1.597	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CCOCC1	ZINC000609616490	554402458	/nfs/dbraw/zinc/40/24/58/554402458.db2.gz	YSPVMFIMXJUAMN-GOSISDBHSA-N	1	0	356.470	1.754	20	30		FDEDRO
N#CCN1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1	ZINC000609634714	554406269	/nfs/dbraw/zinc/40/62/69/554406269.db2.gz	WGNATXOEFHTORA-LJQANCHMSA-N	1	0	355.486	1.938	20	30		FDEDRO
COc1ccc(CC[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c(OC)c1OC	ZINC000609676776	554410505	/nfs/dbraw/zinc/41/05/05/554410505.db2.gz	TUNBPYYGFXQGHS-KRWDZBQOSA-N	1	0	369.421	1.943	20	30		FDEDRO
COc1cc(OC)c(CC[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c(OC)c1	ZINC000609676774	554410741	/nfs/dbraw/zinc/41/07/41/554410741.db2.gz	SWVPSMGTSWWUOV-IBGZPJMESA-N	1	0	369.421	1.943	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)CC2)nc1	ZINC000609920222	554438142	/nfs/dbraw/zinc/43/81/42/554438142.db2.gz	BHMKKQUGRNNCQU-QGZVFWFLSA-N	1	0	354.458	1.269	20	30		FDEDRO
N#Cc1cccc(-c2nnc(CN3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)o2)c1	ZINC000610368638	554495844	/nfs/dbraw/zinc/49/58/44/554495844.db2.gz	LUHGHQHFWINJOF-IAGOWNOFSA-N	1	0	353.426	1.639	20	30		FDEDRO
C[C@H](NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)c1cccc(C#N)c1	ZINC000610385935	554498789	/nfs/dbraw/zinc/49/87/89/554498789.db2.gz	OFVJHMAZKBXKFY-ZDUSSCGKSA-N	1	0	360.377	1.955	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCCN2CCOCC2)cc1	ZINC000610497442	554519205	/nfs/dbraw/zinc/51/92/05/554519205.db2.gz	UWUWAWVQJBOTMW-UHFFFAOYSA-N	1	0	351.472	1.034	20	30		FDEDRO
N#Cc1c(NC(=O)CC[N@H+]2C[C@H](O)C[C@H](O)C2)sc2c1CCCCC2	ZINC000610605456	554537725	/nfs/dbraw/zinc/53/77/25/554537725.db2.gz	FULMZBVPMACHDX-BETUJISGSA-N	1	0	363.483	1.645	20	30		FDEDRO
N#CCN1CCC(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1	ZINC000610860234	554572081	/nfs/dbraw/zinc/57/20/81/554572081.db2.gz	BEIZZTONQFPKOM-ZWKOTPCHSA-N	1	0	363.506	1.041	20	30		FDEDRO
N#CCCN1CC[NH+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC1	ZINC000611173679	554611807	/nfs/dbraw/zinc/61/18/07/554611807.db2.gz	GHXKREPPBULORO-UHFFFAOYSA-N	1	0	363.849	1.299	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1	ZINC000611210792	554615552	/nfs/dbraw/zinc/61/55/52/554615552.db2.gz	SBOWHZHINZCEKD-LMMKCTJWSA-N	1	0	357.454	1.483	20	30		FDEDRO
COCC[N@H+](CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C1CCCC1	ZINC000611371261	554629327	/nfs/dbraw/zinc/62/93/27/554629327.db2.gz	UIZCZQLATVNKFT-SFHVURJKSA-N	1	0	350.507	1.570	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1	ZINC000611874528	554694290	/nfs/dbraw/zinc/69/42/90/554694290.db2.gz	KLFZZPUFRWLKRN-ULQDDVLXSA-N	1	0	351.491	1.320	20	30		FDEDRO
C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cc(N(C)C)cc[nH+]1	ZINC000612346444	554765324	/nfs/dbraw/zinc/76/53/24/554765324.db2.gz	TXZIGJKSWBYDGS-GFCCVEGCSA-N	1	0	373.438	1.325	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1	ZINC000613104872	554885929	/nfs/dbraw/zinc/88/59/29/554885929.db2.gz	LKHWBMCRMBZLBO-LJQANCHMSA-N	1	0	364.534	1.474	20	30		FDEDRO
N#Cc1cc(O)cc(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1	ZINC000616176338	555278509	/nfs/dbraw/zinc/27/85/09/555278509.db2.gz	DJAXJTJYEAPABN-SFHVURJKSA-N	1	0	351.406	1.760	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000616295212	555288967	/nfs/dbraw/zinc/28/89/67/555288967.db2.gz	XPOGUVCYYKPHLV-LJQANCHMSA-N	1	0	373.497	1.601	20	30		FDEDRO
N#Cc1ccc(C[C@H](C#N)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1	ZINC000619363714	555768453	/nfs/dbraw/zinc/76/84/53/555768453.db2.gz	DOIJNTKERQRXRY-UXHICEINSA-N	1	0	366.465	1.954	20	30		FDEDRO
N#Cc1ccc(C[C@H](C#N)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1	ZINC000619363716	555768476	/nfs/dbraw/zinc/76/84/76/555768476.db2.gz	DOIJNTKERQRXRY-WOJBJXKFSA-N	1	0	366.465	1.954	20	30		FDEDRO
N#CCN1CCC(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000619361872	555768821	/nfs/dbraw/zinc/76/88/21/555768821.db2.gz	XKVSVSBUGDMIRX-GOSISDBHSA-N	1	0	355.486	1.796	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3cccc(CC#N)c3)CC2)C1	ZINC000619483985	555785514	/nfs/dbraw/zinc/78/55/14/555785514.db2.gz	IHNGJSVEHGKUOC-KRWDZBQOSA-N	1	0	362.499	1.153	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2cccc(CC#N)c2)CCCO1	ZINC000619499622	555790442	/nfs/dbraw/zinc/79/04/42/555790442.db2.gz	BTJHKAOBTAAGQK-OAHLLOKOSA-N	1	0	351.472	1.532	20	30		FDEDRO
C[C@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)n1cnc(C#N)n1	ZINC000619594530	555805811	/nfs/dbraw/zinc/80/58/11/555805811.db2.gz	DILPDULMVZFENR-XJKCOSOUSA-N	1	0	358.471	1.972	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+][C@@]2(CO)CCOc3ccccc32)cc1	ZINC000619653859	555817825	/nfs/dbraw/zinc/81/78/25/555817825.db2.gz	KVZQQCPLLBEVHU-LAUBAEHRSA-N	1	0	368.433	1.752	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](CCC)C2)cc1	ZINC000619892400	555852743	/nfs/dbraw/zinc/85/27/43/555852743.db2.gz	HZXUWZRLFYWPJS-OAHLLOKOSA-N	1	0	351.472	1.365	20	30		FDEDRO
C=C(C)COCC[NH2+]Cc1c[nH]nc1CN1C(=O)c2ccccc2C1=O	ZINC000623449648	556423913	/nfs/dbraw/zinc/42/39/13/556423913.db2.gz	FVOLOQGLODBDCW-UHFFFAOYSA-N	1	0	354.410	1.888	20	30		FDEDRO
C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000624987227	556685779	/nfs/dbraw/zinc/68/57/79/556685779.db2.gz	QXMOPXFZDFSNFJ-INIZCTEOSA-N	1	0	357.462	1.545	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCS[C@H]2COCC[C@@H]21	ZINC000625220180	556745841	/nfs/dbraw/zinc/74/58/41/556745841.db2.gz	HNKQJLTXFWLCKY-IRXDYDNUSA-N	1	0	356.447	1.492	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[NH+]1CCC(Cn2cnnc2)CC1	ZINC000625512600	556834857	/nfs/dbraw/zinc/83/48/57/556834857.db2.gz	JVYUFRPTHPTPEG-UHFFFAOYSA-N	1	0	363.421	1.290	20	30		FDEDRO
C=CC[C@@H]1CC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1	ZINC000625705431	556907346	/nfs/dbraw/zinc/90/73/46/556907346.db2.gz	VHMYJZFLAZWMBY-MRXNPFEDSA-N	1	0	365.499	1.281	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1	ZINC000627474141	557415136	/nfs/dbraw/zinc/41/51/36/557415136.db2.gz	GWKWOSHTHSDLRT-LLVKDONJSA-N	1	0	357.863	1.021	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2COCCN2C)c(OC)c1	ZINC000629599605	557816400	/nfs/dbraw/zinc/81/64/00/557816400.db2.gz	JVYRCUYKPWPVAC-IRXDYDNUSA-N	1	0	350.459	1.084	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)c1	ZINC000631994080	558081137	/nfs/dbraw/zinc/08/11/37/558081137.db2.gz	FGKRPTHKDZHDGD-RDJZCZTQSA-N	1	0	363.483	1.365	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H]([NH3+])C[C@@H]2C)cc1	ZINC000632898771	558229677	/nfs/dbraw/zinc/22/96/77/558229677.db2.gz	WBGQEGIDPGCYCL-STQMWFEESA-N	1	0	352.460	1.447	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)cc1	ZINC000633040482	558247698	/nfs/dbraw/zinc/24/76/98/558247698.db2.gz	XOTSGCVQXAJFFI-GDBMZVCRSA-N	1	0	370.453	1.387	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1	ZINC000633076626	558253468	/nfs/dbraw/zinc/25/34/68/558253468.db2.gz	KYBMLOPNROTYHD-VXGBXAGGSA-N	1	0	355.891	1.969	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+]C2CN(c3ccncn3)C2)c(OC)c1	ZINC000634729152	558516906	/nfs/dbraw/zinc/51/69/06/558516906.db2.gz	YXFPORPKKJCFAB-QGZVFWFLSA-N	1	0	370.453	1.432	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)c1C#N	ZINC000291072225	568050143	/nfs/dbraw/zinc/05/01/43/568050143.db2.gz	IZRJMXAMYAUSDJ-UHFFFAOYSA-N	1	0	356.455	1.747	20	30		FDEDRO
COC(=O)[C@H]1CC[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)O1	ZINC000291375573	568129573	/nfs/dbraw/zinc/12/95/73/568129573.db2.gz	BGQBZEKFOHIVEL-DLBZAZTESA-N	1	0	359.426	1.169	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000366034438	568262779	/nfs/dbraw/zinc/26/27/79/568262779.db2.gz	NWKPGRUGBBHADF-KSSFIOAISA-N	1	0	368.485	1.704	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1	ZINC000637042788	568324651	/nfs/dbraw/zinc/32/46/51/568324651.db2.gz	QJDPPRLRKSPRSM-UHFFFAOYSA-N	1	0	365.518	1.712	20	30		FDEDRO
CN(C(=O)COc1ccc(C#N)cc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000365229406	568337611	/nfs/dbraw/zinc/33/76/11/568337611.db2.gz	SOVMILUIPYUHMG-SFHVURJKSA-N	1	0	356.470	1.564	20	30		FDEDRO
COC(=O)[C@H]1CN(C)CCN(c2ccc(C#N)cc2Br)C1	ZINC000413499701	568418894	/nfs/dbraw/zinc/41/88/94/568418894.db2.gz	NSACGZCAGGVAQU-LBPRGKRZSA-N	1	0	352.232	1.862	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@H](C)Oc1ccc(-c2nn[nH]n2)cc1	ZINC000821182555	607322541	/nfs/dbraw/zinc/32/25/41/607322541.db2.gz	WPHBOWIAEIAZHR-GJZGRUSLSA-N	1	0	371.441	1.911	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c1	ZINC000272655785	674464343	/nfs/dbraw/zinc/46/43/43/674464343.db2.gz	FVMNWRFEOQWTLW-CQSZACIVSA-N	1	0	363.483	1.531	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+]Cc1cnc2ccc(Br)cn12	ZINC000272884827	674484567	/nfs/dbraw/zinc/48/45/67/674484567.db2.gz	WJPMXQQQGLJBKC-UHFFFAOYSA-N	1	0	358.261	1.787	20	30		FDEDRO
N#Cc1cnn2c1NC[C@@H](C[NH2+]C1(c3cccc(-c4nn[nH]n4)c3)CC1)C2	ZINC000826387600	607704967	/nfs/dbraw/zinc/70/49/67/607704967.db2.gz	FOTFLYOXJQZWDZ-LBPRGKRZSA-N	1	0	361.413	1.255	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@@H]2C)CC1	ZINC000833369427	605048646	/nfs/dbraw/zinc/04/86/46/605048646.db2.gz	XRDSANXVYRGEDB-HNNXBMFYSA-N	1	0	352.479	1.217	20	30		FDEDRO
C[C@@H]1C[N@@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)CC[C@@H]1N1CC[NH+](C)CC1	ZINC000833621822	605051335	/nfs/dbraw/zinc/05/13/35/605051335.db2.gz	JWNZTWXRXKKHPS-MNEFBYGVSA-N	1	0	356.470	1.642	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC000821586424	606314677	/nfs/dbraw/zinc/31/46/77/606314677.db2.gz	XMUPUJKHWMXBMY-UHFFFAOYSA-N	1	0	364.413	1.270	20	30		FDEDRO
C=C(C)[C@H](CC(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[nH]n1)OCC	ZINC000823873032	608022419	/nfs/dbraw/zinc/02/24/19/608022419.db2.gz	GUPCGJLLWPQOJU-LBPRGKRZSA-N	1	0	362.438	1.052	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCCCC(=O)OC(C)C)cc1OC	ZINC000274085077	674584026	/nfs/dbraw/zinc/58/40/26/674584026.db2.gz	OFPLVROOVODAPD-UHFFFAOYSA-N	1	0	351.447	1.882	20	30		FDEDRO
CSCC[C@@H]([NH2+]CCC(=O)N(C)CCC#N)c1nnc2ccccn21	ZINC000275144005	674609912	/nfs/dbraw/zinc/60/99/12/674609912.db2.gz	FGFXTJCIYBIJBX-CQSZACIVSA-N	1	0	360.487	1.875	20	30		FDEDRO
C[NH+](C)C1(CNS(=O)(=O)c2cccnc2C#N)Cc2ccccc2C1	ZINC000277048606	674844071	/nfs/dbraw/zinc/84/40/71/674844071.db2.gz	PZSQENMLQDHQAL-UHFFFAOYSA-N	1	0	356.451	1.331	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(CC)CCc2nccs2)CC1	ZINC000286455992	675896106	/nfs/dbraw/zinc/89/61/06/675896106.db2.gz	HVSRRFZUHBOTKM-UHFFFAOYSA-N	1	0	350.488	1.301	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1	ZINC000286471067	675896328	/nfs/dbraw/zinc/89/63/28/675896328.db2.gz	KRWXWCZGBITVOQ-UHFFFAOYSA-N	1	0	355.529	1.674	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)c2ncc(C)s2)CC1	ZINC000286500297	675896543	/nfs/dbraw/zinc/89/65/43/675896543.db2.gz	KIARDFHLSZWNFX-GFCCVEGCSA-N	1	0	350.488	1.438	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)cc1	ZINC000042587396	670924631	/nfs/dbraw/zinc/92/46/31/670924631.db2.gz	HQVKLTJQNZRECM-MRXNPFEDSA-N	1	0	365.499	1.304	20	30		FDEDRO
C=CCn1c(C)nn(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)c1=S	ZINC000069796550	671387126	/nfs/dbraw/zinc/38/71/26/671387126.db2.gz	YKAJJQLGBZKOAT-INIZCTEOSA-N	1	0	351.520	1.910	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC[N@H+]2CC=CCC2)cc1	ZINC000287485336	675917070	/nfs/dbraw/zinc/91/70/70/675917070.db2.gz	ZFDSKPICZFZUMG-AWEZNQCLSA-N	1	0	362.455	1.756	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1ccccc1OC(F)(F)F	ZINC000104158622	671594402	/nfs/dbraw/zinc/59/44/02/671594402.db2.gz	DXQDZHRXFIQPOE-UHFFFAOYSA-N	1	0	360.380	1.582	20	30		FDEDRO
CC(C)NS(=O)(=O)Cc1ccccc1CNC(=[NH2+])N1CCCCC1	ZINC000104158639	671594661	/nfs/dbraw/zinc/59/46/61/671594661.db2.gz	ZFFCLCDSXYUIFG-UHFFFAOYSA-N	1	0	352.504	1.815	20	30		FDEDRO
CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C#CC[NH+](CC)CC)c1	ZINC000121485003	671705441	/nfs/dbraw/zinc/70/54/41/671705441.db2.gz	BOGACMQJXCTBCA-OAHLLOKOSA-N	1	0	366.483	1.875	20	30		FDEDRO
Cc1nc(CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)cs1	ZINC000133867410	671824139	/nfs/dbraw/zinc/82/41/39/671824139.db2.gz	KWPPRHVNIPUOHC-ZDUSSCGKSA-N	1	0	351.476	1.832	20	30		FDEDRO
C#CCOc1ccc([C@H](C)[NH2+]C2CCN(CCS(C)(=O)=O)CC2)cc1	ZINC000159926223	671996706	/nfs/dbraw/zinc/99/67/06/671996706.db2.gz	JPUHSLMBEZMGKN-INIZCTEOSA-N	1	0	364.511	1.858	20	30		FDEDRO
CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000161518176	672010129	/nfs/dbraw/zinc/01/01/29/672010129.db2.gz	HWSAZTCVYJDHHK-GFCCVEGCSA-N	1	0	350.394	1.513	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1(C)C)N1CCN(c2cccs2)CC1	ZINC000179210538	672156288	/nfs/dbraw/zinc/15/62/88/672156288.db2.gz	PNNAJMYUGNULLV-UHFFFAOYSA-N	1	0	365.547	1.556	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCC3(CO)CCCC3)=[NH+]C[C@H]2C1	ZINC000184656860	672248336	/nfs/dbraw/zinc/24/83/36/672248336.db2.gz	XOCYVXZLLLAHQM-AWEZNQCLSA-N	1	0	352.479	1.420	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C[C@H]2CC[NH2+]C2)cc1	ZINC000189975466	672318355	/nfs/dbraw/zinc/31/83/55/672318355.db2.gz	ZSJHLKOBSXRINO-SFKFPXOQSA-N	1	0	364.471	1.438	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000192579595	672356327	/nfs/dbraw/zinc/35/63/27/672356327.db2.gz	AZDGJBACHUYRDB-UONOGXRCSA-N	1	0	351.472	1.574	20	30		FDEDRO
COc1ccc([C@H](CNC(=[NH2+])NC[C@H]2CCCO2)N(C)C)cc1OC	ZINC000195522060	672408128	/nfs/dbraw/zinc/40/81/28/672408128.db2.gz	SSBAWFHRLPQBPZ-CABCVRRESA-N	1	0	350.463	1.390	20	30		FDEDRO
C=CCN1CCC([NH2+]Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)CC1	ZINC000237114712	672420710	/nfs/dbraw/zinc/42/07/10/672420710.db2.gz	ORVFXCOSJSAHPI-UHFFFAOYSA-N	1	0	367.877	1.953	20	30		FDEDRO
CCN1CCC[C@H]1CNC(=[NH2+])N[C@H](C)CS(=O)(=O)c1ccc(C)cc1	ZINC000248510947	672534977	/nfs/dbraw/zinc/53/49/77/672534977.db2.gz	ARFCKCROCUXVME-CVEARBPZSA-N	1	0	366.531	1.546	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C	ZINC000249493196	672565588	/nfs/dbraw/zinc/56/55/88/672565588.db2.gz	VQSHXZNPQQMORQ-HRCADAONSA-N	1	0	354.495	1.113	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)C1	ZINC000249502721	672566687	/nfs/dbraw/zinc/56/66/87/672566687.db2.gz	JKLUDEULYMRXRU-OLZOCXBDSA-N	1	0	350.850	1.537	20	30		FDEDRO
C[NH+]1CCC(n2c(=O)c(=Cc3cccs3)sc2=C(C#N)C#N)CC1	ZINC000255390187	672617691	/nfs/dbraw/zinc/61/76/91/672617691.db2.gz	BXKKRLFGGOTOGZ-UHFFFAOYSA-N	1	0	356.476	1.265	20	30		FDEDRO
C[NH+]=C(NCc1ccc(O)c(F)c1)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000261640477	672641126	/nfs/dbraw/zinc/64/11/26/672641126.db2.gz	AGESGWOSGHLPNM-UHFFFAOYSA-N	1	0	350.438	1.938	20	30		FDEDRO
CC[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N[C@H](C)c1ccccc1	ZINC000261649355	672643038	/nfs/dbraw/zinc/64/30/38/672643038.db2.gz	MGTFYJSEUCOOQF-OAHLLOKOSA-N	1	0	366.531	1.974	20	30		FDEDRO
C[NH+]=C(NCCSC(F)(F)F)N1CCO[C@@H](c2cnn(C)c2)C1	ZINC000261665621	672646261	/nfs/dbraw/zinc/64/62/61/672646261.db2.gz	BJLZOAYPEIZMCJ-LLVKDONJSA-N	1	0	351.398	1.622	20	30		FDEDRO
CSCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCc2ccccc21	ZINC000261671481	672647660	/nfs/dbraw/zinc/64/76/60/672647660.db2.gz	HAMPDIGUAYZOFV-AWEZNQCLSA-N	1	0	367.540	1.792	20	30		FDEDRO
CNC(=O)CC1CCN(C(N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)=[NH+]C)CC1	ZINC000261686440	672651506	/nfs/dbraw/zinc/65/15/06/672651506.db2.gz	DQTZFTNEUGFVFW-USXIJHARSA-N	1	0	350.507	1.614	20	30		FDEDRO
CC[C@H]1CN(C(NCCNS(=O)(=O)c2ccccc2)=[NH+]C)CCS1	ZINC000261745898	672663586	/nfs/dbraw/zinc/66/35/86/672663586.db2.gz	BVNZTQVLMBXVFO-AWEZNQCLSA-N	1	0	370.544	1.368	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCSC2(CCCCC2)C1	ZINC000261795753	672673437	/nfs/dbraw/zinc/67/34/37/672673437.db2.gz	GMHPLBJBFYNOLT-AWEZNQCLSA-N	1	0	359.561	1.748	20	30		FDEDRO
CCS(=O)(=O)CCNC(=[NH+]C)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1	ZINC000261847323	672682560	/nfs/dbraw/zinc/68/25/60/672682560.db2.gz	XNZQLJUESIWICK-BBRMVZONSA-N	1	0	371.478	1.598	20	30		FDEDRO
CNS(=O)(=O)c1cccc(CNC(NC[C@H]2CCCS2)=[NH+]C)c1	ZINC000261941505	672698430	/nfs/dbraw/zinc/69/84/30/672698430.db2.gz	DNQSFJUHRATQDW-CYBMUJFWSA-N	1	0	356.517	1.155	20	30		FDEDRO
C[NH+]=C(NCCc1c[nH]c2ccccc12)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261967839	672703857	/nfs/dbraw/zinc/70/38/57/672703857.db2.gz	LWMLBKDTYLIFAN-UHFFFAOYSA-N	1	0	362.499	1.795	20	30		FDEDRO
O=S1(=O)CC[C@@H](C[NH+]=C(NCc2cccs2)N2CCC(O)CC2)C1	ZINC000262265021	672758006	/nfs/dbraw/zinc/75/80/06/672758006.db2.gz	SWIQKLCJXJLTJS-ZDUSSCGKSA-N	1	0	371.528	1.085	20	30		FDEDRO
CN(C)C(=O)CNC(NCc1cccs1)=[NH+][C@@H]1CCOC2(CCC2)C1	ZINC000262270855	672759030	/nfs/dbraw/zinc/75/90/30/672759030.db2.gz	GTDALVPVOYPMEH-CQSZACIVSA-N	1	0	364.515	1.973	20	30		FDEDRO
CC(C)(C)[C@@H]1C[C@H](NC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)CCO1	ZINC000262345662	672774232	/nfs/dbraw/zinc/77/42/32/672774232.db2.gz	DFSCZOWEQDURKR-IMJJTQAJSA-N	1	0	371.547	1.712	20	30		FDEDRO
C=CCNC(=[NH+]C[C@H]1CCS(=O)(=O)C1)N1CCc2ccc(F)cc2C1	ZINC000262372935	672778437	/nfs/dbraw/zinc/77/84/37/672778437.db2.gz	IYHMQIDDMXUVTD-CQSZACIVSA-N	1	0	365.474	1.750	20	30		FDEDRO
CCC[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N[C@H]1CCOc2ccccc21	ZINC000262378397	672779510	/nfs/dbraw/zinc/77/95/10/672779510.db2.gz	JZBFZLPOWOROHD-ZBFHGGJFSA-N	1	0	365.499	1.890	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCOC2(CCCCC2)C1	ZINC000262382769	672780462	/nfs/dbraw/zinc/78/04/62/672780462.db2.gz	KTNGXUNBWGXNQR-GJZGRUSLSA-N	1	0	357.520	1.468	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CC[C@@H](CN2CCOCC2)C1	ZINC000262411646	672785145	/nfs/dbraw/zinc/78/51/45/672785145.db2.gz	PKACKYCRDJSBAT-NXOAAHMSSA-N	1	0	350.507	1.029	20	30		FDEDRO
CC1(C)[C@H](NC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)[C@@H]2CCCO[C@H]21	ZINC000262433774	672788919	/nfs/dbraw/zinc/78/89/19/672788919.db2.gz	STPGHQDRUGWMJA-ARLBYUKCSA-N	1	0	369.531	1.322	20	30		FDEDRO
CC(C)[NH+]=C(NCc1ccc(Cl)cn1)NC[C@@H]1CCS(=O)(=O)C1	ZINC000262461385	672793864	/nfs/dbraw/zinc/79/38/64/672793864.db2.gz	XPZMVDVXBNNDND-LBPRGKRZSA-N	1	0	358.895	1.613	20	30		FDEDRO
CN(C)C(NCc1ccccc1)=[NH+]C[C@@H]1CCCCN1S(C)(=O)=O	ZINC000262479888	672796414	/nfs/dbraw/zinc/79/64/14/672796414.db2.gz	CWVKTGZKVAGPSX-INIZCTEOSA-N	1	0	352.504	1.508	20	30		FDEDRO
CN(C)[C@@]1(CNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)CCSC1	ZINC000262482165	672796854	/nfs/dbraw/zinc/79/68/54/672796854.db2.gz	RTISOEZZBMFFIU-GOSISDBHSA-N	1	0	365.522	1.700	20	30		FDEDRO
C[C@H]1CN(C(=[NH2+])NCCNC(=O)c2ccc(Br)cc2)CCO1	ZINC000262494999	672798931	/nfs/dbraw/zinc/79/89/31/672798931.db2.gz	WDSUMLVAYVFERT-NSHDSACASA-N	1	0	369.263	1.214	20	30		FDEDRO
C[NH+]=C(NCc1cc2c(c(Br)c1)OCO2)NC[C@@H]1CCOC1	ZINC000262774338	672847405	/nfs/dbraw/zinc/84/74/05/672847405.db2.gz	HYKFALVQQNNHJR-JTQLQIEISA-N	1	0	370.247	1.879	20	30		FDEDRO
C[C@@H]1OCC[C@]1(O)CNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1	ZINC000262918405	672854196	/nfs/dbraw/zinc/85/41/96/672854196.db2.gz	ZEBNDYAQIDDZOU-GUYCJALGSA-N	1	0	352.866	1.317	20	30		FDEDRO
CO[C@H]1COCC[C@@H]1CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1	ZINC000263157326	672864672	/nfs/dbraw/zinc/86/46/72/672864672.db2.gz	QEKISAIXJYQPCG-PBHICJAKSA-N	1	0	350.438	1.314	20	30		FDEDRO
C[NH+]=C(NCCCNC(=O)c1cccc(Br)c1)NC1CC1	ZINC000264040282	672898886	/nfs/dbraw/zinc/89/88/86/672898886.db2.gz	IHFXNFUZKWJQPD-UHFFFAOYSA-N	1	0	353.264	1.896	20	30		FDEDRO
CC(C)NS(=O)(=O)Cc1ccccc1CNC(=[NH2+])NC1CCCC1	ZINC000264090283	672901136	/nfs/dbraw/zinc/90/11/36/672901136.db2.gz	KTSPIMCXYXXTGX-UHFFFAOYSA-N	1	0	352.504	1.861	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)NCC[N@@H+](C)C2CCCC2)cc1	ZINC000264220734	672904353	/nfs/dbraw/zinc/90/43/53/672904353.db2.gz	VXNMHJIESCSALY-UHFFFAOYSA-N	1	0	363.483	1.202	20	30		FDEDRO
[NH2+]=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)Nc1ccccc1	ZINC000267461369	673306508	/nfs/dbraw/zinc/30/65/08/673306508.db2.gz	VEGDSWPKVRAWEO-UHFFFAOYSA-N	1	0	364.393	1.975	20	30		FDEDRO
CCOc1cc(CNC(NCCN2CCOCC2)=[NH+]C)ccc1OC	ZINC000267463121	673306788	/nfs/dbraw/zinc/30/67/88/673306788.db2.gz	RJNXOILCLSBYGH-UHFFFAOYSA-N	1	0	350.463	1.091	20	30		FDEDRO
Cc1cc(C)cc(NC(=[NH2+])NCCS(=O)(=O)NC[C@H]2CCCCO2)c1	ZINC000267470447	673307163	/nfs/dbraw/zinc/30/71/63/673307163.db2.gz	XPBVDXBJPFYDSL-MRXNPFEDSA-N	1	0	368.503	1.519	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NC[C@@H](C)CN2CCOCC2)cc1OC	ZINC000267470482	673307356	/nfs/dbraw/zinc/30/73/56/673307356.db2.gz	XQVFYVXGISXETQ-CQSZACIVSA-N	1	0	350.463	1.076	20	30		FDEDRO
CN(CC[C@@H]1CCCC[N@@H+]1C)CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000290293881	676195342	/nfs/dbraw/zinc/19/53/42/676195342.db2.gz	NCFIOMWUERKFCG-INIZCTEOSA-N	1	0	350.488	1.533	20	30		FDEDRO
CC[NH+](CC)C[C@H]1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000290302840	676196183	/nfs/dbraw/zinc/19/61/83/676196183.db2.gz	NSPLKESHOPQXAF-MRXNPFEDSA-N	1	0	350.488	1.391	20	30		FDEDRO
Cc1oc(C#N)cc1C(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1	ZINC000280717349	675451217	/nfs/dbraw/zinc/45/12/17/675451217.db2.gz	UQXDUECTLNQEIR-CYBMUJFWSA-N	1	0	353.444	1.041	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NCc1nc(-c2cccc(Br)c2)no1	ZINC000280751965	675454014	/nfs/dbraw/zinc/45/40/14/675454014.db2.gz	XKLURXALGBZELT-VIFPVBQESA-N	1	0	368.235	1.938	20	30		FDEDRO
C#CCCOc1ccc(C[NH+]2CCC(NS(=O)(=O)NC)CC2)cc1	ZINC000281055928	675485386	/nfs/dbraw/zinc/48/53/86/675485386.db2.gz	RIEMGDWEIAAYBH-UHFFFAOYSA-N	1	0	351.472	1.107	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(C)CCC[NH+]2CCCC2)c1	ZINC000281585472	675532701	/nfs/dbraw/zinc/53/27/01/675532701.db2.gz	BVJBTYYZGLYHFU-UHFFFAOYSA-N	1	0	365.499	1.709	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000281799234	675561074	/nfs/dbraw/zinc/56/10/74/675561074.db2.gz	PVZOJXDNXQYGGE-JFIYKMOQSA-N	1	0	364.515	1.823	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C	ZINC000281856563	675569233	/nfs/dbraw/zinc/56/92/33/675569233.db2.gz	BOEPTUSCQXLSSU-DOTOQJQBSA-N	1	0	368.503	1.374	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N(C)Cc1cscn1)C(C)C	ZINC000283651968	675659498	/nfs/dbraw/zinc/65/94/98/675659498.db2.gz	AUVKFIJUVRLRFX-INIZCTEOSA-N	1	0	364.515	1.916	20	30		FDEDRO
COc1ccccc1CNC(=[NH2+])NC[C@H](N1CCOCC1)C(F)(F)F	ZINC000285207495	675802806	/nfs/dbraw/zinc/80/28/06/675802806.db2.gz	WKBALMHKPPCZSZ-AWEZNQCLSA-N	1	0	360.380	1.363	20	30		FDEDRO
CCS(=O)(=O)NCCC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000285623296	675837551	/nfs/dbraw/zinc/83/75/51/675837551.db2.gz	YHKISMMKARRNRF-UHFFFAOYSA-N	1	0	369.462	1.870	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1nc2c(s1)C[C@H](CC)CC2	ZINC000293264036	676341034	/nfs/dbraw/zinc/34/10/34/676341034.db2.gz	FFECBQHVPBYMMB-CYBMUJFWSA-N	1	0	362.499	1.668	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C[NH+](C)C	ZINC000293293830	676343296	/nfs/dbraw/zinc/34/32/96/676343296.db2.gz	WARJSFZWOABXQA-SNVBAGLBSA-N	1	0	356.348	1.829	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1	ZINC000293297083	676343479	/nfs/dbraw/zinc/34/34/79/676343479.db2.gz	HEHRMYWEXFPDOP-UHFFFAOYSA-N	1	0	359.323	1.854	20	30		FDEDRO
Cc1nsc(NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c1C#N	ZINC000294243281	676379645	/nfs/dbraw/zinc/37/96/45/676379645.db2.gz	PIQVLNZTFASEHE-CQSZACIVSA-N	1	0	350.492	1.717	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCCNC(=O)c1ccc(Cl)cc1	ZINC000296706290	676420343	/nfs/dbraw/zinc/42/03/43/676420343.db2.gz	ZMHBKPYYRPTZBV-UHFFFAOYSA-N	1	0	350.850	1.324	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCOC[C@H]1C[C@@H](O)c1cccs1	ZINC000297501073	676426519	/nfs/dbraw/zinc/42/65/19/676426519.db2.gz	OGCCTHBDLPPURJ-HZPDHXFCSA-N	1	0	365.499	1.537	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)[C@@H]1CCN(c2sccc2C#N)C1=O	ZINC000298701059	676489270	/nfs/dbraw/zinc/48/92/70/676489270.db2.gz	ZXUUTWLHOZUPSK-MRXNPFEDSA-N	1	0	363.531	1.540	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NCc2ccc(S(N)(=O)=O)cc2)cc1OC	ZINC000303695288	676542547	/nfs/dbraw/zinc/54/25/47/676542547.db2.gz	DLKNAMGZNPYHPR-UHFFFAOYSA-N	1	0	364.427	1.278	20	30		FDEDRO
C[NH+]=C(NCCSCc1ccc(C)cc1)NCCN1CCOCC1	ZINC000303785437	676543010	/nfs/dbraw/zinc/54/30/10/676543010.db2.gz	QJAXGXLMGQLEFZ-UHFFFAOYSA-N	1	0	350.532	1.725	20	30		FDEDRO
[NH2+]=C(NCc1ccccc1OCCN1CCOCC1)N1CCSCC1	ZINC000303880175	676543540	/nfs/dbraw/zinc/54/35/40/676543540.db2.gz	KCAOXRYWHJVPSY-UHFFFAOYSA-N	1	0	364.515	1.261	20	30		FDEDRO
[NH2+]=C(NCCCN1CCN(c2ccccc2Cl)CC1)N1CCOCC1	ZINC000303902169	676543620	/nfs/dbraw/zinc/54/36/20/676543620.db2.gz	XRGBCCNHQBHYEB-UHFFFAOYSA-N	1	0	365.909	1.499	20	30		FDEDRO
CC[C@@H](CNC(NCCN1CCOCC1)=[NH+]C)Oc1ccccc1F	ZINC000304755063	676544301	/nfs/dbraw/zinc/54/43/01/676544301.db2.gz	ZEGOBNWLYNMCSL-HNNXBMFYSA-N	1	0	352.454	1.480	20	30		FDEDRO
CC(C)C[C@H](CCO)CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000304777457	676544591	/nfs/dbraw/zinc/54/45/91/676544591.db2.gz	DNCNCJKSVOOMMH-HNNXBMFYSA-N	1	0	356.511	1.899	20	30		FDEDRO
CCOc1cc(Cl)ccc1CNC(NCCN1CCOCC1)=[NH+]C	ZINC000305195329	676544992	/nfs/dbraw/zinc/54/49/92/676544992.db2.gz	IHKGGROFOFMICH-UHFFFAOYSA-N	1	0	354.882	1.736	20	30		FDEDRO
C#CCN(C)CCC[NH2+]C[C@@H](O)COc1ccc(Br)cc1	ZINC000328183067	676598106	/nfs/dbraw/zinc/59/81/06/676598106.db2.gz	NSSGHZPYZSCBGD-OAHLLOKOSA-N	1	0	355.276	1.734	20	30		FDEDRO
CN(CC1(O)CCCC1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000328703005	676603128	/nfs/dbraw/zinc/60/31/28/676603128.db2.gz	JVWSBIJKKWSVPY-SJORKVTESA-N	1	0	353.507	1.905	20	30		FDEDRO
O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1C[C@@H]2COC[C@H](C1)O2	ZINC000328729528	676604586	/nfs/dbraw/zinc/60/45/86/676604586.db2.gz	HMPZICUHOBEPKS-HRCADAONSA-N	1	0	365.499	1.974	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)C[C@H]1C	ZINC000328742716	676604932	/nfs/dbraw/zinc/60/49/32/676604932.db2.gz	OCQFNLAJYFPUEI-QLFBSQMISA-N	1	0	360.524	1.129	20	30		FDEDRO
CC(C)(CNC(=O)C[N@@H+]1CC[C@H](C2CCOCC2)C1)N1CCOCC1	ZINC000328836658	676609052	/nfs/dbraw/zinc/60/90/52/676609052.db2.gz	MTWZSAVXCXLUCK-KRWDZBQOSA-N	1	0	353.507	1.802	20	30		FDEDRO
CC1CC[NH+](C[C@H](O)CNC(=O)[C@@H]2CCO[C@H]2c2nccn2C)CC1	ZINC000328919603	676612101	/nfs/dbraw/zinc/61/21/01/676612101.db2.gz	ASCVKGHSIHTKKM-BZUAXINKSA-N	1	0	350.463	1.547	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000328985094	676614927	/nfs/dbraw/zinc/61/49/27/676614927.db2.gz	TUTJVFBNBGMWSZ-CABCVRRESA-N	1	0	352.479	1.890	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)CCSC1	ZINC000329048350	676617530	/nfs/dbraw/zinc/61/75/30/676617530.db2.gz	KDWXUPJESTWXCS-IVSAIRAKSA-N	1	0	357.520	1.200	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)N1C[C@H](O)C[C@H]1c1cccc(F)c1	ZINC000329048912	676617548	/nfs/dbraw/zinc/61/75/48/676617548.db2.gz	KGFJXCAKURFLEI-ZACQAIPSSA-N	1	0	350.438	1.093	20	30		FDEDRO
CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)[N@H+](C)C1	ZINC000329048195	676617573	/nfs/dbraw/zinc/61/75/73/676617573.db2.gz	KBXUXXKZPOFOIV-VIQHNZTISA-N	1	0	351.491	1.899	20	30		FDEDRO
C[C@H](NC(=O)CN1CC[C@@H]([NH+]2CCCCC2)C1)C(=O)N1CCCCC1	ZINC000329288562	676631187	/nfs/dbraw/zinc/63/11/87/676631187.db2.gz	MRZXXNVFOVWXLX-DLBZAZTESA-N	1	0	350.507	1.904	20	30		FDEDRO
CS(=O)(=O)[C@@H]1CCCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1	ZINC000329602334	676645873	/nfs/dbraw/zinc/64/58/73/676645873.db2.gz	KWNPHBWOIMFXMA-OAHLLOKOSA-N	1	0	373.519	1.054	20	30		FDEDRO
CC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)C1	ZINC000329703177	676650558	/nfs/dbraw/zinc/65/05/58/676650558.db2.gz	IOLRWNLOAXFNLM-POZPTJLLSA-N	1	0	351.451	1.740	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc2nc(C(F)(F)F)cn2c1	ZINC000329911559	676663650	/nfs/dbraw/zinc/66/36/50/676663650.db2.gz	ARBHUJNUBMOTEO-GFCCVEGCSA-N	1	0	355.364	1.904	20	30		FDEDRO
COCc1nc2n(n1)CCC[C@@H]2NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1	ZINC000329970797	676666065	/nfs/dbraw/zinc/66/60/65/676666065.db2.gz	VFDRWPWEIIOYGN-KGLIPLIRSA-N	1	0	350.467	1.447	20	30		FDEDRO
C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000329997721	676668196	/nfs/dbraw/zinc/66/81/96/676668196.db2.gz	QZUYZLVRQNUQDA-MYJIOXHKSA-N	1	0	357.520	1.120	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)N2CCC(N3CCCCC3=O)CC2)CCSC1	ZINC000330093812	676672148	/nfs/dbraw/zinc/67/21/48/676672148.db2.gz	SAEHXPXJAAPZCO-SFHVURJKSA-N	1	0	368.547	1.815	20	30		FDEDRO
O=C(CN1CC[NH+](C[C@H]2CCOC2)CC1)Nc1nc2c(s1)CCC2	ZINC000330205017	676678249	/nfs/dbraw/zinc/67/82/49/676678249.db2.gz	CCGVOOBCAABAOW-CYBMUJFWSA-N	1	0	350.488	1.874	20	30		FDEDRO
Cc1noc(COCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)n1	ZINC000330220709	676679669	/nfs/dbraw/zinc/67/96/69/676679669.db2.gz	QNFIAAGXAVJXND-CABCVRRESA-N	1	0	352.435	1.619	20	30		FDEDRO
Cc1nnsc1CNC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1	ZINC000330271788	676682444	/nfs/dbraw/zinc/68/24/44/676682444.db2.gz	WNIWVURLLPNWNO-UHFFFAOYSA-N	1	0	366.535	1.610	20	30		FDEDRO
NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CCO[C@H]3CCC[C@H]32)c1	ZINC000330285320	676683093	/nfs/dbraw/zinc/68/30/93/676683093.db2.gz	YSDLGXKAGUSKDM-CABCVRRESA-N	1	0	353.444	1.565	20	30		FDEDRO
CC1CC[NH+](C[C@H](O)CNC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)CC1	ZINC000330321567	676683981	/nfs/dbraw/zinc/68/39/81/676683981.db2.gz	GBRRTWYRKRTEHE-IXDOHACOSA-N	1	0	350.463	1.547	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2c(OC)ncnc2N(C)C)C[C@H]1C	ZINC000330449960	676691401	/nfs/dbraw/zinc/69/14/01/676691401.db2.gz	XVBJMNZUJGXVOP-CHWSQXEVSA-N	1	0	350.467	1.901	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc([S@@](C)=O)c(F)c2)[C@@H](C)C1	ZINC000330551784	676696392	/nfs/dbraw/zinc/69/63/92/676696392.db2.gz	NFPAWQGDDHNNPD-BGBYCUJFSA-N	1	0	357.451	1.496	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O	ZINC000330593123	676697594	/nfs/dbraw/zinc/69/75/94/676697594.db2.gz	WGIPJCILJOXHSF-DARIXABFSA-N	1	0	351.491	1.681	20	30		FDEDRO
CSc1cc(C(=O)NC[C@H]2C[N@H+](C)CCN2C)ccc1NC(C)=O	ZINC000330705898	676701452	/nfs/dbraw/zinc/70/14/52/676701452.db2.gz	SWGRPBAEMOVYOT-AWEZNQCLSA-N	1	0	350.488	1.917	20	30		FDEDRO
CSc1cc(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)ccc1NC(C)=O	ZINC000330705899	676701561	/nfs/dbraw/zinc/70/15/61/676701561.db2.gz	SWGRPBAEMOVYOT-CQSZACIVSA-N	1	0	350.488	1.917	20	30		FDEDRO
CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H](NS(C)(=O)=O)C1	ZINC000330859010	676706753	/nfs/dbraw/zinc/70/67/53/676706753.db2.gz	VENMAUFRZLRPRT-HUUCEWRRSA-N	1	0	360.524	1.179	20	30		FDEDRO
CN(C1CCN(C(=O)NCC2(C[NH+](C)C)CCCC2)CC1)S(C)(=O)=O	ZINC000330873026	676707629	/nfs/dbraw/zinc/70/76/29/676707629.db2.gz	SAXVZULYPPUYGQ-UHFFFAOYSA-N	1	0	374.551	1.378	20	30		FDEDRO
COCCC(=O)N1CCC(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1	ZINC000331160549	676719267	/nfs/dbraw/zinc/71/92/67/676719267.db2.gz	RAURGJKODVULBL-OAHLLOKOSA-N	1	0	354.495	1.202	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1nc(C(F)(F)F)n[nH]1	ZINC000331227244	676722758	/nfs/dbraw/zinc/72/27/58/676722758.db2.gz	DLKWUMODKFMSAJ-SECBINFHSA-N	1	0	364.372	1.015	20	30		FDEDRO
C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccccc2S(=O)(=O)N(C)C)CC[N@@H+]1C	ZINC000331253261	676724137	/nfs/dbraw/zinc/72/41/37/676724137.db2.gz	REZMBJGVTOYRDP-KGLIPLIRSA-N	1	0	368.503	1.897	20	30		FDEDRO
C[NH+](C)[C@H]1CC[C@@H](NC(=O)Nc2ccncc2I)C1	ZINC000331263725	676724748	/nfs/dbraw/zinc/72/47/48/676724748.db2.gz	NZGJKNXNXASLMT-ZJUUUORDSA-N	1	0	374.226	1.917	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)C[C@H]1C	ZINC000331298394	676726250	/nfs/dbraw/zinc/72/62/50/676726250.db2.gz	UWRVSVHZBMSDIK-HIFRSBDPSA-N	1	0	368.503	1.993	20	30		FDEDRO
Cn1cc([C@@H]2CCCC[N@@H+]2CCC(=O)NC(=O)NCC(F)(F)F)cn1	ZINC000331317784	676727105	/nfs/dbraw/zinc/72/71/05/676727105.db2.gz	DJEIHWDVIKGPNQ-LBPRGKRZSA-N	1	0	361.368	1.930	20	30		FDEDRO
N#C[C@H]1CCC[C@H]([NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)C1	ZINC000333326362	676768759	/nfs/dbraw/zinc/76/87/59/676768759.db2.gz	QHAUYFDEIHBQLO-HOCLYGCPSA-N	1	0	355.504	1.632	20	30		FDEDRO
N#C[C@@H]1CCC[C@@H]([NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)C1	ZINC000333326359	676768784	/nfs/dbraw/zinc/76/87/84/676768784.db2.gz	QHAUYFDEIHBQLO-GDBMZVCRSA-N	1	0	355.504	1.632	20	30		FDEDRO
C[C@@H]1C[N@@H+](CC2CCN(S(=O)(=O)CC3(CC#N)CC3)CC2)C[C@H](C)O1	ZINC000333402709	676769301	/nfs/dbraw/zinc/76/93/01/676769301.db2.gz	IVOPFJHPCVVLHC-IYBDPMFKSA-N	1	0	369.531	1.831	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21	ZINC000362159793	676910298	/nfs/dbraw/zinc/91/02/98/676910298.db2.gz	IMSJHPNOGRDBHZ-IXDOHACOSA-N	1	0	363.483	1.739	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000362388745	676916806	/nfs/dbraw/zinc/91/68/06/676916806.db2.gz	ITNCJDXDBTYSMM-HZPDHXFCSA-N	1	0	363.483	1.508	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000362388747	676916863	/nfs/dbraw/zinc/91/68/63/676916863.db2.gz	ITNCJDXDBTYSMM-JKSUJKDBSA-N	1	0	363.483	1.508	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)C1	ZINC000363067266	676933043	/nfs/dbraw/zinc/93/30/43/676933043.db2.gz	CXUMMQUGDOVQBR-OAHLLOKOSA-N	1	0	366.462	1.098	20	30		FDEDRO
CC(C)(O)C[N@@H+]1CCCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1	ZINC000364270874	677003770	/nfs/dbraw/zinc/00/37/70/677003770.db2.gz	TVPLGGOFEPGVPM-UHFFFAOYSA-N	1	0	364.877	1.929	20	30		FDEDRO
C[N@@H+]1CC[C@H](CNS(=O)(=O)c2cccnc2C#N)[C@@H]1c1cccs1	ZINC000364331836	677008533	/nfs/dbraw/zinc/00/85/33/677008533.db2.gz	MGKJRCIVMJIHKC-MLGOLLRUSA-N	1	0	362.480	1.986	20	30		FDEDRO
N#Cc1cccnc1N1CCC[N@@H+](C[C@H](O)COCC(F)(F)F)CC1	ZINC000366600147	677454321	/nfs/dbraw/zinc/45/43/21/677454321.db2.gz	HAMNMWKHZNFJSL-AWEZNQCLSA-N	1	0	358.364	1.405	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC23CCSCC3)CC1	ZINC000422294826	680705538	/nfs/dbraw/zinc/70/55/38/680705538.db2.gz	LTKTWUDHSFBXPT-OAHLLOKOSA-N	1	0	365.543	1.793	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H](C1CC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000368616365	677500810	/nfs/dbraw/zinc/50/08/10/677500810.db2.gz	SSJDXDHAPMCYBP-ZBFHGGJFSA-N	1	0	353.463	1.293	20	30		FDEDRO
COCCC[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1	ZINC000369678233	677509084	/nfs/dbraw/zinc/50/90/84/677509084.db2.gz	LMEHVDBLVJTDDT-UHFFFAOYSA-N	1	0	371.890	1.945	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1	ZINC000370179835	677550100	/nfs/dbraw/zinc/55/01/00/677550100.db2.gz	APIKJOGAAXXTTD-ZACQAIPSSA-N	1	0	356.536	1.909	20	30		FDEDRO
N#Cc1csc(C(=O)N2CCC3(CC2)NC(=O)C2(CCCCC2)N3)c1	ZINC000370257568	677558049	/nfs/dbraw/zinc/55/80/49/677558049.db2.gz	RGOYPGDRFRUCDM-UHFFFAOYSA-N	1	0	358.467	1.974	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21	ZINC000370843048	677619744	/nfs/dbraw/zinc/61/97/44/677619744.db2.gz	LNAJDFWGKUBQKD-IXDOHACOSA-N	1	0	363.483	1.739	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(C#N)nc2)[C@@H]1c1cccnc1	ZINC000372437773	677915645	/nfs/dbraw/zinc/91/56/45/677915645.db2.gz	NRRROBSWRYFFLF-YOEHRIQHSA-N	1	0	357.439	1.320	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(COC)(C(=O)OCC)CC1	ZINC000373793252	678067102	/nfs/dbraw/zinc/06/71/02/678067102.db2.gz	SRFIMGHSZLYMCL-INIZCTEOSA-N	1	0	352.475	1.867	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC([NH+]2C[C@H](C)C[C@@H](C)C2)CC1	ZINC000374458003	678082588	/nfs/dbraw/zinc/08/25/88/678082588.db2.gz	XTUPWPTYRWDSHC-BZUAXINKSA-N	1	0	356.536	1.765	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N(C)C1CCN(c2cc[nH+]cc2)CC1	ZINC000374664377	678089356	/nfs/dbraw/zinc/08/93/56/678089356.db2.gz	RTTVVJBOVNLARU-UHFFFAOYSA-N	1	0	366.487	1.293	20	30		FDEDRO
C=CCOCCNC(=O)NCC1([NH+]2CCN(C)CC2)CCCCCC1	ZINC000374731183	678090586	/nfs/dbraw/zinc/09/05/86/678090586.db2.gz	ZMCVSMOYTXGMQE-UHFFFAOYSA-N	1	0	352.523	1.829	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(N2CCN(C)CC2=O)CC1	ZINC000374786594	678091604	/nfs/dbraw/zinc/09/16/04/678091604.db2.gz	ZQANIEXZXHWUDK-MRXNPFEDSA-N	1	0	350.507	1.038	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC1CC[NH+](C2CCC(C)CC2)CC1	ZINC000376384798	678292545	/nfs/dbraw/zinc/29/25/45/678292545.db2.gz	JMLTXJHDMKIVMG-ISXOHVOVSA-N	1	0	356.536	1.955	20	30		FDEDRO
N#Cc1ncccc1S(=O)(=O)NC1CC[NH+](Cc2cccs2)CC1	ZINC000376980462	678417628	/nfs/dbraw/zinc/41/76/28/678417628.db2.gz	DIZAXOZYKRAXKO-UHFFFAOYSA-N	1	0	362.480	1.958	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000378307120	678737044	/nfs/dbraw/zinc/73/70/44/678737044.db2.gz	PHKGRPYXBYXQSN-CRAIPNDOSA-N	1	0	362.499	1.205	20	30		FDEDRO
C=CCNc1ncc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)s1	ZINC000378309406	678737650	/nfs/dbraw/zinc/73/76/50/678737650.db2.gz	NMPJAQQEDNDZHI-CABCVRRESA-N	1	0	363.531	1.839	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000408027489	678824519	/nfs/dbraw/zinc/82/45/19/678824519.db2.gz	LNFSWIHWMNXPME-QAPCUYQASA-N	1	0	362.499	1.205	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000409489839	678849815	/nfs/dbraw/zinc/84/98/15/678849815.db2.gz	BWLJLXQEBFTILZ-AEFFLSMTSA-N	1	0	364.515	1.919	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C	ZINC000409554558	678859103	/nfs/dbraw/zinc/85/91/03/678859103.db2.gz	QQDUOXWCQSDKBL-MRXNPFEDSA-N	1	0	354.476	1.368	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1	ZINC000409561695	678860037	/nfs/dbraw/zinc/86/00/37/678860037.db2.gz	MRYLTIGWELKDIC-HOTGVXAUSA-N	1	0	374.551	1.439	20	30		FDEDRO
CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)N(C)C[C@H](C)C#N	ZINC000409593515	678866095	/nfs/dbraw/zinc/86/60/95/678866095.db2.gz	CXRSKXGCWDFBJA-OAHLLOKOSA-N	1	0	352.504	1.953	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2cc(S(C)(=O)=O)ccc2F)CC1	ZINC000409714566	678868598	/nfs/dbraw/zinc/86/85/98/678868598.db2.gz	LFSUVCXXKQHOMR-UHFFFAOYSA-N	1	0	369.462	1.679	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C)c1	ZINC000410148499	678885868	/nfs/dbraw/zinc/88/58/68/678885868.db2.gz	DBUKTXZHOKWSLB-UHFFFAOYSA-N	1	0	352.504	1.839	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CCC[C@H](C(=O)N(CC)CC(F)(F)F)C2)C1=O	ZINC000410388885	678892244	/nfs/dbraw/zinc/89/22/44/678892244.db2.gz	MDRXUGIRYREXBL-KBPBESRZSA-N	1	0	361.408	1.896	20	30		FDEDRO
COC(=O)[C@H]1CN(Cc2ccc(Br)cc2C#N)CC[N@H+](C)C1	ZINC000411910330	679093476	/nfs/dbraw/zinc/09/34/76/679093476.db2.gz	GIAZPTSJJQNRBQ-CQSZACIVSA-N	1	0	366.259	1.857	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1	ZINC000424102991	680829940	/nfs/dbraw/zinc/82/99/40/680829940.db2.gz	CNPVAFDGZMDHNH-OCCSQVGLSA-N	1	0	359.348	1.582	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl	ZINC000424102623	680829953	/nfs/dbraw/zinc/82/99/53/680829953.db2.gz	BLFUCVVSFDJXFH-PWSUYJOCSA-N	1	0	360.241	1.870	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCSC[C@H](C(=O)OC)C1	ZINC000412101396	679156659	/nfs/dbraw/zinc/15/66/59/679156659.db2.gz	WVTRGCMFOIWKRP-SJORKVTESA-N	1	0	365.495	1.993	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H]([NH2+]C)C2)cc1	ZINC000414899759	679373317	/nfs/dbraw/zinc/37/33/17/679373317.db2.gz	VFHUOMBBBLBYMC-CQSZACIVSA-N	1	0	352.460	1.319	20	30		FDEDRO
C[C@@H](CC[NH3+])NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	ZINC000414912760	679373902	/nfs/dbraw/zinc/37/39/02/679373902.db2.gz	KXHGPXGURDXOKH-JTQLQIEISA-N	1	0	362.484	2.561	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)C(=O)NCC(C)(C)[NH3+]	ZINC000415462568	679435011	/nfs/dbraw/zinc/43/50/11/679435011.db2.gz	HHUXLTXJNVUPNI-UHFFFAOYSA-N	1	0	370.247	1.806	20	30		FDEDRO
CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000415480611	679437673	/nfs/dbraw/zinc/43/76/73/679437673.db2.gz	HUEAIQLEEIRMCY-UHFFFAOYSA-N	1	0	356.348	1.959	20	30		FDEDRO
C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000415537577	679446769	/nfs/dbraw/zinc/44/67/69/679446769.db2.gz	GZBMDPNEUBHOCC-NXEZZACHSA-N	1	0	365.231	1.455	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1	ZINC000415594268	679460605	/nfs/dbraw/zinc/46/06/05/679460605.db2.gz	GBLQOCICARSHJF-JMSVASOKSA-N	1	0	350.444	1.492	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1Br	ZINC000415649238	679471453	/nfs/dbraw/zinc/47/14/53/679471453.db2.gz	PMCPVGXXHMETPW-QWRGUYRKSA-N	1	0	365.231	1.645	20	30		FDEDRO
CC(C)(CCC[NH3+])NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000415760379	679494508	/nfs/dbraw/zinc/49/45/08/679494508.db2.gz	MOZGOFIVODADNI-UHFFFAOYSA-N	1	0	367.247	1.893	20	30		FDEDRO
CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)s1	ZINC000415834232	679519085	/nfs/dbraw/zinc/51/90/85/679519085.db2.gz	NQUJXDVZAOWBLW-GFCCVEGCSA-N	1	0	364.471	1.350	20	30		FDEDRO
C=CCSCCNC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1	ZINC000417328718	679758042	/nfs/dbraw/zinc/75/80/42/679758042.db2.gz	GXOFATLCDXJUFF-HUUCEWRRSA-N	1	0	354.520	1.195	20	30		FDEDRO
CCC[NH2+]CCNC(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000419117132	680193286	/nfs/dbraw/zinc/19/32/86/680193286.db2.gz	PQFQSHQWECVKDX-UHFFFAOYSA-N	1	0	355.360	1.289	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N1CC[C@H](C[NH2+]C)C1)c1ccc(F)c(F)c1	ZINC000419675382	680316247	/nfs/dbraw/zinc/31/62/47/680316247.db2.gz	KGXCGXAKWACFJB-WBMJQRKESA-N	1	0	351.397	1.766	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)c1ccc(F)c(F)c1	ZINC000419676938	680317131	/nfs/dbraw/zinc/31/71/31/680317131.db2.gz	MFLGXBJAQRJQBO-BBRMVZONSA-N	1	0	351.397	1.957	20	30		FDEDRO
C=C(C)[C@@H](NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)c1ccc(F)c(F)c1	ZINC000419677436	680317407	/nfs/dbraw/zinc/31/74/07/680317407.db2.gz	MTESSKYRZIGOOU-MLGOLLRUSA-N	1	0	351.397	1.814	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)c1ccc(F)c(F)c1	ZINC000419677851	680317607	/nfs/dbraw/zinc/31/76/07/680317607.db2.gz	NJTVEAKNAKRNQQ-LYRGGWFBSA-N	1	0	351.397	1.812	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)c1ccc(F)c(F)c1	ZINC000419682974	680319676	/nfs/dbraw/zinc/31/96/76/680319676.db2.gz	UIYZXPFAZXKATA-UVBJJODRSA-N	1	0	351.397	1.894	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)c1Br)C[NH+](C)C	ZINC000419747249	680346624	/nfs/dbraw/zinc/34/66/24/680346624.db2.gz	MTYRUKGSVBNBSV-JTQLQIEISA-N	1	0	367.247	1.573	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N1CCC(C[NH3+])CC1	ZINC000420407573	680441113	/nfs/dbraw/zinc/44/11/13/680441113.db2.gz	UPWMSXCFRSWVRF-UHFFFAOYSA-N	1	0	358.261	1.680	20	30		FDEDRO
C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)C1	ZINC000420410895	680441816	/nfs/dbraw/zinc/44/18/16/680441816.db2.gz	AUAZWAFOMUEYLD-JTQLQIEISA-N	1	0	358.261	1.551	20	30		FDEDRO
C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000420410935	680441898	/nfs/dbraw/zinc/44/18/98/680441898.db2.gz	ACICKASGEDVQGV-NXEZZACHSA-N	1	0	358.261	1.679	20	30		FDEDRO
C[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1	ZINC000420432555	680448009	/nfs/dbraw/zinc/44/80/09/680448009.db2.gz	HNCKJMIOLYTUFH-NSHDSACASA-N	1	0	358.261	1.693	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1	ZINC000425561762	680909820	/nfs/dbraw/zinc/90/98/20/680909820.db2.gz	CSTQBPWSBOGHIF-WMZOPIPTSA-N	1	0	351.491	1.864	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1	ZINC000425868081	680937630	/nfs/dbraw/zinc/93/76/30/680937630.db2.gz	IEIISRSHDPBDTQ-IRXDYDNUSA-N	1	0	351.491	1.322	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1CCCC	ZINC000425882176	680938901	/nfs/dbraw/zinc/93/89/01/680938901.db2.gz	LQXFUODJYTVLSD-ULQDDVLXSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1	ZINC000425909538	680940908	/nfs/dbraw/zinc/94/09/08/680940908.db2.gz	PNASJBSAYAHIPE-HOTGVXAUSA-N	1	0	351.491	1.274	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ncc(C#N)cc1Cl	ZINC000428030842	680992600	/nfs/dbraw/zinc/99/26/00/680992600.db2.gz	FMGNCUBEOVTMNA-AWEZNQCLSA-N	1	0	363.849	1.279	20	30		FDEDRO
C[N@H+](Cc1cccc(OCCCC#N)c1)[C@H]1CCN(S(C)(=O)=O)C1	ZINC000430090903	681062598	/nfs/dbraw/zinc/06/25/98/681062598.db2.gz	UPPKODMPNRBXQQ-INIZCTEOSA-N	1	0	351.472	1.835	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2ccc(C#N)s2)C1	ZINC000435433192	681593331	/nfs/dbraw/zinc/59/33/31/681593331.db2.gz	QTHGAERMQATJOT-ZDUSSCGKSA-N	1	0	357.501	1.741	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N(Cc1scnc1C)C[C@@H]1CC[NH2+]C1	ZINC000436053976	681659682	/nfs/dbraw/zinc/65/96/82/681659682.db2.gz	OXHSNJZODFZOCL-UONOGXRCSA-N	1	0	365.503	1.263	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)Cc2cc(C#N)ccc2F)CC1	ZINC000440070685	681966324	/nfs/dbraw/zinc/96/63/24/681966324.db2.gz	AOYDAGVXFVWDIB-AWEZNQCLSA-N	1	0	368.478	1.143	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1	ZINC000440812144	682026841	/nfs/dbraw/zinc/02/68/41/682026841.db2.gz	SSICGUQSQLPMHP-IUODEOHRSA-N	1	0	358.414	1.090	20	30		FDEDRO
C[C@]1(n2cc(C[NH2+]CC3CCC(C#N)CC3)cn2)CCS(=O)(=O)C1	ZINC000441347794	682070932	/nfs/dbraw/zinc/07/09/32/682070932.db2.gz	MFWXDRAJFFRJFI-DQPZFDDXSA-N	1	0	350.488	1.836	20	30		FDEDRO
Cn1cc(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2F)cc1C#N	ZINC000449753894	682709455	/nfs/dbraw/zinc/70/94/55/682709455.db2.gz	KIWVBRGYIKMEMH-UHFFFAOYSA-N	1	0	366.418	1.194	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CNC(=O)COc1ccc(C#N)c(Br)c1	ZINC000449828160	682716299	/nfs/dbraw/zinc/71/62/99/682716299.db2.gz	WMZMMJXRNPGNHI-GFCCVEGCSA-N	1	0	352.232	1.910	20	30		FDEDRO
C[NH+](C)[C@@H]1CCN(C(=O)COc2cccc(Br)c2C#N)C1	ZINC000449838837	682717394	/nfs/dbraw/zinc/71/73/94/682717394.db2.gz	JCQNHHGHJOKRGJ-LLVKDONJSA-N	1	0	352.232	1.862	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000451164810	682832701	/nfs/dbraw/zinc/83/27/01/682832701.db2.gz	LEPCFGYLMMFELV-MRXNPFEDSA-N	1	0	355.435	1.228	20	30		FDEDRO
CS(=O)(=O)C1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1	ZINC000475429972	685597008	/nfs/dbraw/zinc/59/70/08/685597008.db2.gz	RJUOJCNCQIDGFZ-UHFFFAOYSA-N	1	0	359.455	1.526	20	30		FDEDRO
CO[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000451628331	682908731	/nfs/dbraw/zinc/90/87/31/682908731.db2.gz	DVMMLGCGIPWBDX-OWCLPIDISA-N	1	0	362.499	1.614	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@H](CO)CC(C)(C)C)CC1	ZINC000451794748	682939676	/nfs/dbraw/zinc/93/96/76/682939676.db2.gz	YDVQXNHDLOUFSS-IRXDYDNUSA-N	1	0	352.523	1.408	20	30		FDEDRO
COC[C@@]1(CO)CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000451930083	682971349	/nfs/dbraw/zinc/97/13/49/682971349.db2.gz	NCVHFZYBPROEQT-SFHVURJKSA-N	1	0	363.483	1.768	20	30		FDEDRO
CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2ccc(F)cc2C#N)CC1	ZINC000452043533	683010116	/nfs/dbraw/zinc/01/01/16/683010116.db2.gz	BLSXOIKWJIRDLJ-UHFFFAOYSA-N	1	0	368.478	1.392	20	30		FDEDRO
C[NH+](C)CCC1CCN(C(=O)C(=O)Nc2cnc(C#N)c(Cl)c2)CC1	ZINC000453606832	683169529	/nfs/dbraw/zinc/16/95/29/683169529.db2.gz	ROOOPUOFJNBQMU-UHFFFAOYSA-N	1	0	363.849	1.735	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cnc(C#N)c(Cl)c3)CC[C@H]21	ZINC000453680286	683184158	/nfs/dbraw/zinc/18/41/58/683184158.db2.gz	VJGFUGBZTKCLRF-IAQYHMDHSA-N	1	0	361.833	1.488	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC(C)(C)C[NH+](C)C)cc1	ZINC000455250418	683419826	/nfs/dbraw/zinc/41/98/26/683419826.db2.gz	IWJGSXHAQLAXBO-GFCCVEGCSA-N	1	0	352.460	1.834	20	30		FDEDRO
C=C(C)CCNC(=O)N1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1	ZINC000455325133	683430790	/nfs/dbraw/zinc/43/07/90/683430790.db2.gz	MTDCVRBXRBHSEY-GOSISDBHSA-N	1	0	350.507	1.928	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC([NH+](CCOC)CCOC)CC1	ZINC000455416052	683448060	/nfs/dbraw/zinc/44/80/60/683448060.db2.gz	RZRFMURVEUPKOJ-SJORKVTESA-N	1	0	355.479	1.099	20	30		FDEDRO
C=CCC[C@H](CO)NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1	ZINC000458484114	684272886	/nfs/dbraw/zinc/27/28/86/684272886.db2.gz	UKFHLHZZHBZAFY-QGZVFWFLSA-N	1	0	352.523	1.563	20	30		FDEDRO
C=CC(C)(C)CNC(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1	ZINC000458992829	684353699	/nfs/dbraw/zinc/35/36/99/684353699.db2.gz	WNSJYSIDFANTNN-QGZVFWFLSA-N	1	0	352.523	1.635	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1	ZINC000459026195	684357892	/nfs/dbraw/zinc/35/78/92/684357892.db2.gz	LYAJBYXFHBZVMY-TVFCKZIOSA-N	1	0	350.507	1.530	20	30		FDEDRO
CCC[N@H+](CC)C[C@H](C)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1	ZINC000461544990	684584360	/nfs/dbraw/zinc/58/43/60/684584360.db2.gz	NHXOMNBUZUGITJ-AWEZNQCLSA-N	1	0	366.487	1.073	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)NC(C)C)c[nH]2)CC1	ZINC000469299344	684961350	/nfs/dbraw/zinc/96/13/50/684961350.db2.gz	XATZZWXVPBIHCZ-UHFFFAOYSA-N	1	0	368.503	1.472	20	30		FDEDRO
CC(C)[C@H]([NH2+]CCCSCC#N)C(=O)N(C)Cc1nnc2n1CCC2	ZINC000471000355	685102013	/nfs/dbraw/zinc/10/20/13/685102013.db2.gz	ZWDABHOOWBISHG-INIZCTEOSA-N	1	0	364.519	1.444	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNS(=O)(=O)CC2(C#N)CCC2)ccn1	ZINC000477478560	685858054	/nfs/dbraw/zinc/85/80/54/685858054.db2.gz	SZNBOKXEWWCSNZ-UHFFFAOYSA-N	1	0	352.460	1.135	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1	ZINC000487797724	687002913	/nfs/dbraw/zinc/00/29/13/687002913.db2.gz	JXDSJFNUTCJBQE-INIZCTEOSA-N	1	0	352.523	1.332	20	30		FDEDRO
CSC1(CNS(=O)(=O)c2cnc(C)c(C#N)c2)CC[NH+](C)CC1	ZINC000489874064	687118968	/nfs/dbraw/zinc/11/89/68/687118968.db2.gz	KIXOQTBPMOZIEU-UHFFFAOYSA-N	1	0	354.501	1.367	20	30		FDEDRO
CC(C)N1C(=O)C[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000494214264	687506007	/nfs/dbraw/zinc/50/60/07/687506007.db2.gz	ZKZCHGLMSPKZCI-YOEHRIQHSA-N	1	0	366.824	1.759	20	30		FDEDRO
CC[NH+](CC)[C@@H](C)CNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1	ZINC000497744136	687706398	/nfs/dbraw/zinc/70/63/98/687706398.db2.gz	OPMOXHZDMZBWAJ-AWEZNQCLSA-N	1	0	366.487	1.025	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+](C)CC[C@@H]2C)c1	ZINC000498740762	687847958	/nfs/dbraw/zinc/84/79/58/687847958.db2.gz	VDXOISGVKTZFMU-AWEZNQCLSA-N	1	0	351.472	1.317	20	30		FDEDRO
COC(=O)[C@@H]1CCCN(CCCC2(C#N)CCOCC2)[C@@H]1C(=O)OC	ZINC000499571922	687966650	/nfs/dbraw/zinc/96/66/50/687966650.db2.gz	GKKPEWHTLVXYQB-CABCVRRESA-N	1	0	352.431	1.514	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(CC(N)=O)CC1)C(C)C	ZINC000503410702	688355018	/nfs/dbraw/zinc/35/50/18/688355018.db2.gz	YITMYBWDPHZPIF-KRWDZBQOSA-N	1	0	350.507	1.982	20	30		FDEDRO
CCO[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)[C@@]12CCCO2	ZINC000514856941	689776190	/nfs/dbraw/zinc/77/61/90/689776190.db2.gz	LMFXJKLFTUQGRR-KSZLIROESA-N	1	0	364.467	1.648	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)CC1(CC#N)CC1	ZINC000516683082	689981414	/nfs/dbraw/zinc/98/14/14/689981414.db2.gz	YOXOVJZSBVSXIV-INIZCTEOSA-N	1	0	356.536	1.358	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)ccc1Br	ZINC000517092955	690033916	/nfs/dbraw/zinc/03/39/16/690033916.db2.gz	LAGQXAJAJOIHSR-JTQLQIEISA-N	1	0	365.231	1.457	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)nc1	ZINC000517230791	690047678	/nfs/dbraw/zinc/04/76/78/690047678.db2.gz	IGZBZDQHQSDQPT-ZBFHGGJFSA-N	1	0	367.496	1.371	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CCNS(=O)(=O)c2ccc(C)cc2)CC1	ZINC000517304180	690054181	/nfs/dbraw/zinc/05/41/81/690054181.db2.gz	FVWMZKNOAWYJLI-UHFFFAOYSA-N	1	0	365.499	1.430	20	30		FDEDRO
N#CCCC1CC[NH+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1	ZINC000521621199	694416084	/nfs/dbraw/zinc/41/60/84/694416084.db2.gz	PPFIWXFRAGJFFF-UHFFFAOYSA-N	1	0	364.471	1.678	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC2(C[NH3+])CCOCC2)cc1C(F)(F)F	ZINC000528054790	694697965	/nfs/dbraw/zinc/69/79/65/694697965.db2.gz	AKPJOOBFIMJIIZ-UHFFFAOYSA-N	1	0	363.361	1.363	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@@H]1[NH+](C)C	ZINC000535619904	694907283	/nfs/dbraw/zinc/90/72/83/694907283.db2.gz	GBTABLMFBDEVTN-QWHCGFSZSA-N	1	0	359.904	1.878	20	30		FDEDRO
C=CCN(C(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1)[C@H]1CCS(=O)(=O)C1	ZINC000637943647	695298416	/nfs/dbraw/zinc/29/84/16/695298416.db2.gz	HOUMRBMTDZQILX-BHYGNILZSA-N	1	0	366.483	1.121	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCCC[C@@H]([NH3+])C2)c1	ZINC000638824689	695403606	/nfs/dbraw/zinc/40/36/06/695403606.db2.gz	URJALRRJKPPOFG-OAHLLOKOSA-N	1	0	351.472	1.494	20	30		FDEDRO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncccc2C#N)CC1	ZINC001164825817	720293131	/nfs/dbraw/zinc/29/31/31/720293131.db2.gz	TZVFESDHXNRDQZ-QZTJIDSGSA-N	1	0	353.470	1.865	20	30		FDEDRO
N#Cc1nc(Cl)cnc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1	ZINC001164734249	720553914	/nfs/dbraw/zinc/55/39/14/720553914.db2.gz	XYJVWYXFICBTGU-UHFFFAOYSA-N	1	0	357.849	1.857	20	30		FDEDRO
N#Cc1cc(F)c(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164740919	720608755	/nfs/dbraw/zinc/60/87/55/720608755.db2.gz	KJEVSCOUOPRSED-STQMWFEESA-N	1	0	374.807	1.878	20	30		FDEDRO
N#Cc1ncc(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164739099	720648896	/nfs/dbraw/zinc/64/88/96/720648896.db2.gz	FDGILDXVSUDBRB-NEPJUHHUSA-N	1	0	357.805	1.134	20	30		FDEDRO
N#CCc1cnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c(Cl)c1	ZINC001164748817	720795046	/nfs/dbraw/zinc/79/50/46/720795046.db2.gz	RNGLPZVHQAMIBP-GJZGRUSLSA-N	1	0	370.844	1.933	20	30		FDEDRO
N#Cc1nc(Cl)cnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164871370	721061110	/nfs/dbraw/zinc/06/11/10/721061110.db2.gz	YJUKXKRILTWYHM-LSDHHAIUSA-N	1	0	370.844	1.876	20	30		FDEDRO
CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncc(F)cc4C#N)C3)O2)CC1	ZINC001164884975	721391565	/nfs/dbraw/zinc/39/15/65/721391565.db2.gz	BIBOGFWHKIIDHY-QUCCMNQESA-N	1	0	373.476	1.858	20	30		FDEDRO
CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncc(C#N)cc4F)C3)O2)CC1	ZINC001164890807	721425348	/nfs/dbraw/zinc/42/53/48/721425348.db2.gz	FWWACGNVRZTZDO-YLJYHZDGSA-N	1	0	373.476	1.858	20	30		FDEDRO
CC[C@H](CO)Nc1cc(N2CCN(c3ccc(C#N)cc3F)CC2)ncn1	ZINC000892254304	782525527	/nfs/dbraw/zinc/52/55/27/782525527.db2.gz	OMFDPBYXFHOTRW-OAHLLOKOSA-N	1	0	370.432	1.997	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1ccc(OCC(=O)OC)cc1	ZINC000274493804	768819184	/nfs/dbraw/zinc/81/91/84/768819184.db2.gz	SZBRDFMJHSMEFU-GJZGRUSLSA-N	1	0	361.442	1.897	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(COC)CC1)C2	ZINC001112468420	769017716	/nfs/dbraw/zinc/01/77/16/769017716.db2.gz	JKGOLZJWLOXWFZ-FTRWYGJKSA-N	1	0	363.502	1.322	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(C)c(C)n1)C2	ZINC001112468451	769019550	/nfs/dbraw/zinc/01/95/50/769019550.db2.gz	KQQFZWWVWBYWHB-UWJYYQICSA-N	1	0	370.497	1.833	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CC(C)(C)CO2)C[C@H]1C	ZINC001104412133	782791195	/nfs/dbraw/zinc/79/11/95/782791195.db2.gz	ZWNBCBXSJQCPRB-ZACQAIPSSA-N	1	0	363.502	1.015	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1C	ZINC001020491087	770043392	/nfs/dbraw/zinc/04/33/92/770043392.db2.gz	YBNZJXZNZANFNY-ATIWLJMLSA-N	1	0	363.502	1.558	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)N(C)Cc2ncc(Br)cn2)C1	ZINC000924038883	770307287	/nfs/dbraw/zinc/30/72/87/770307287.db2.gz	XNBYAXKQDANUIB-ZDUSSCGKSA-N	1	0	366.263	1.478	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@](C)(C(=O)NC)C2)c(OC)c1	ZINC000430259806	770826499	/nfs/dbraw/zinc/82/64/99/770826499.db2.gz	FPSJCLAGJZJZSQ-OXJNMPFZSA-N	1	0	362.470	1.621	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc3n2CCCCC3)C1	ZINC001020604575	770978961	/nfs/dbraw/zinc/97/89/61/770978961.db2.gz	DUFOFFJPPWLVKC-FPCVCCKLSA-N	1	0	359.474	1.332	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)OCCO3)C1	ZINC001020604789	770983079	/nfs/dbraw/zinc/98/30/79/770983079.db2.gz	OEWIQCVCCHAUPX-VQHPVUNQSA-N	1	0	358.438	1.786	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)N2CCC(C)CC2)C1	ZINC001020605345	770984494	/nfs/dbraw/zinc/98/44/94/770984494.db2.gz	CXQPPJXCNSZCHH-TXTZMMAHSA-N	1	0	363.502	1.461	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2CCO[C@@H]3CN(Cc4ccc(C#N)cc4)C[C@@H]32)C1	ZINC001083192995	771018185	/nfs/dbraw/zinc/01/81/85/771018185.db2.gz	XLVKJHWEEGCTCM-FFZOFVMBSA-N	1	0	368.481	1.312	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@@H](O)C1	ZINC000969899552	771050146	/nfs/dbraw/zinc/05/01/46/771050146.db2.gz	CZRQTUVPGPNCFG-BBWFWOEESA-N	1	0	365.518	1.399	20	30		FDEDRO
C[NH2+]Cc1c(C)nn(-c2nc3ccccc3nc2[C@@H](C#N)C(=O)OC)c1C	ZINC001167098937	771151501	/nfs/dbraw/zinc/15/15/01/771151501.db2.gz	PLNQPLNOTLYCLE-CYBMUJFWSA-N	1	0	364.409	1.932	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C)oc2C)C1	ZINC001111583183	771208472	/nfs/dbraw/zinc/20/84/72/771208472.db2.gz	KFTIUIMTGUGQAA-UVFQYZLESA-N	1	0	357.454	1.619	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCn4c(C)ncc4C3)[C@H]2C1	ZINC001083193880	771226822	/nfs/dbraw/zinc/22/68/22/771226822.db2.gz	LYSOLVOYWZDEIP-YTQUADARSA-N	1	0	358.486	1.632	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCC(C)CC2)C1	ZINC001020728985	771310891	/nfs/dbraw/zinc/31/08/91/771310891.db2.gz	PLDQCVQULKVXQT-DWRORGKVSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cnccn2)C1=O	ZINC001087112592	771443373	/nfs/dbraw/zinc/44/33/73/771443373.db2.gz	FRUCWEWXXSALOD-PMPSAXMXSA-N	1	0	357.458	1.094	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C1	ZINC001104236358	771461426	/nfs/dbraw/zinc/46/14/26/771461426.db2.gz	WLRMQMHVULEHSB-TZMCWYRMSA-N	1	0	364.939	1.884	20	30		FDEDRO
N#C[C@@H](c1ccc(N2C[C@H]3COC[C@@H](C2)C3[NH3+])nn1)c1ccccc1F	ZINC001167188071	771704265	/nfs/dbraw/zinc/70/42/65/771704265.db2.gz	QAIRXOMCCWSRSS-MUIJYRPGSA-N	1	0	353.401	1.681	20	30		FDEDRO
CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCC2(CC#N)CC2)CC1	ZINC000430382789	771723774	/nfs/dbraw/zinc/72/37/74/771723774.db2.gz	DWFLKONAGHJYOP-UHFFFAOYSA-N	1	0	358.446	1.288	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC(=O)NCC)C1	ZINC001104245305	771756678	/nfs/dbraw/zinc/75/66/78/771756678.db2.gz	AUKCKUIUCZPOPC-OWCLPIDISA-N	1	0	366.506	1.651	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC2CCOCC2)C1	ZINC001104245509	771768278	/nfs/dbraw/zinc/76/82/78/771768278.db2.gz	MCHQHWLLEZSZDQ-IAGOWNOFSA-N	1	0	365.518	1.712	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](OCCOC)C2)c(OC)c1	ZINC000275472169	771833506	/nfs/dbraw/zinc/83/35/06/771833506.db2.gz	CUOJNOQRLBFTHJ-ZWKOTPCHSA-N	1	0	365.470	1.901	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]Cc2ncnn2C(C)C)CC1	ZINC001167274235	771850505	/nfs/dbraw/zinc/85/05/05/771850505.db2.gz	NZTSUDCDZMMGNS-CVEARBPZSA-N	1	0	361.490	1.826	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)N[C@H](C)CC)CC1	ZINC001167274624	771851696	/nfs/dbraw/zinc/85/16/96/771851696.db2.gz	XMPHYTXCQPOBOW-OAGGEKHMSA-N	1	0	351.491	1.368	20	30		FDEDRO
C[C@H](NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1C[NH+](Cc2ccc(C#N)cc2)C1	ZINC000970179725	771917914	/nfs/dbraw/zinc/91/79/14/771917914.db2.gz	PXNCJHXVIJUXAS-WCAUJFKASA-N	1	0	351.450	1.918	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1C[C@H]1C1CC1)C2	ZINC001112481834	771978472	/nfs/dbraw/zinc/97/84/72/771978472.db2.gz	XDTMJLKDDDCQCM-BOSXTWCSSA-N	1	0	358.486	1.281	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc3n(n2)CCC3)C1	ZINC000970220653	772129757	/nfs/dbraw/zinc/12/97/57/772129757.db2.gz	HFWLKYADDLBCMA-MNEFBYGVSA-N	1	0	358.486	1.891	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc(=O)c(OC)co2)C1	ZINC000970239014	772156272	/nfs/dbraw/zinc/15/62/72/772156272.db2.gz	FQBKRFAASCDQEP-XUWXXGDYSA-N	1	0	362.426	1.320	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)CC2)c1	ZINC000277688526	783003241	/nfs/dbraw/zinc/00/32/41/783003241.db2.gz	FQRYDONVERQXCI-SFHVURJKSA-N	1	0	368.485	1.802	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)[C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC001087214266	783020463	/nfs/dbraw/zinc/02/04/63/783020463.db2.gz	NOTCGSAJDTXJRF-ZFVVBOAOSA-N	1	0	372.444	1.535	20	30		FDEDRO
CNC(=O)NCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001104264921	772581741	/nfs/dbraw/zinc/58/17/41/772581741.db2.gz	KQZPVDLZRWOFNT-RHSMWYFYSA-N	1	0	357.458	1.061	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CCN1c1cc[nH+]cc1	ZINC000890985567	772641406	/nfs/dbraw/zinc/64/14/06/772641406.db2.gz	AVPULGXSSUINKF-CYBMUJFWSA-N	1	0	367.384	1.768	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)C3CCC(C(=O)N(C)C)CC3)[C@H]2C1	ZINC001083245971	783035352	/nfs/dbraw/zinc/03/53/52/783035352.db2.gz	RZJFPPBHXFODSQ-ZGUYJTEBSA-N	1	0	363.502	1.369	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H]3CCN(CC)C3=O)C2)CCC1	ZINC001104279619	772755081	/nfs/dbraw/zinc/75/50/81/772755081.db2.gz	HKNDSLRAUBMQAB-KURKYZTESA-N	1	0	359.514	1.875	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCOCC)C2)CCOCC1	ZINC001104279865	772756897	/nfs/dbraw/zinc/75/68/97/772756897.db2.gz	SOYWAMYVMUAPAS-QZTJIDSGSA-N	1	0	350.503	1.917	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H]3CCC(=O)NC3=O)C2)CCC1	ZINC001104279857	772756903	/nfs/dbraw/zinc/75/69/03/772756903.db2.gz	SILZTKXJJDPHGC-OAGGEKHMSA-N	1	0	359.470	1.059	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]C[C@H]3CCOC3)C2)CCOCC1	ZINC001104279951	772757295	/nfs/dbraw/zinc/75/72/95/772757295.db2.gz	WOJWIMFHZHHSBS-GUDVDZBRSA-N	1	0	362.514	1.917	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](C)COC)C2)CCOCC1	ZINC001104279913	772757385	/nfs/dbraw/zinc/75/73/85/772757385.db2.gz	UYCFNBNUVKGTMH-FGTMMUONSA-N	1	0	350.503	1.916	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCN1CCCC1=O	ZINC001021386161	773125422	/nfs/dbraw/zinc/12/54/22/773125422.db2.gz	HMJBHHODBIDLTL-FVAVCCDCSA-N	1	0	361.486	1.312	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1	ZINC001021415195	773256800	/nfs/dbraw/zinc/25/68/00/773256800.db2.gz	KEFNDFNMPYYJPK-BMGDILEWSA-N	1	0	369.469	1.434	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)[C@@H](O)C1	ZINC000970798324	773654607	/nfs/dbraw/zinc/65/46/07/773654607.db2.gz	HVVUGARECISCAC-ZACQAIPSSA-N	1	0	365.518	1.541	20	30		FDEDRO
C[NH+]1CCC2(CCCN2C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1	ZINC000785007933	773895810	/nfs/dbraw/zinc/89/58/10/773895810.db2.gz	XOBTXFDPAJUGNR-UHFFFAOYSA-N	1	0	374.416	1.753	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1C	ZINC001104295921	773991636	/nfs/dbraw/zinc/99/16/36/773991636.db2.gz	XCPMRTUTNSOHIH-IXDOHACOSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cncs2)C1=O	ZINC001087129280	774380401	/nfs/dbraw/zinc/38/04/01/774380401.db2.gz	QQMUFVWNQWMBRI-QLFBSQMISA-N	1	0	362.499	1.760	20	30		FDEDRO
CCC[C@@H]1CN(C(=O)N[C@H](CC#N)C(F)(F)F)CC[N@@H+]1CCOC	ZINC000932912281	774395711	/nfs/dbraw/zinc/39/57/11/774395711.db2.gz	YFBOYLSEMMUKQH-CHWSQXEVSA-N	1	0	350.385	1.973	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC1(C[NH2+]C[C@H](O)COC)CC1	ZINC001167422668	774565476	/nfs/dbraw/zinc/56/54/76/774565476.db2.gz	WJJSYKCBFFBGGK-ULQDDVLXSA-N	1	0	354.491	1.241	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@]2(C3CCCC3)CCNC2=O)C[C@H]1C	ZINC001104312740	774592923	/nfs/dbraw/zinc/59/29/23/774592923.db2.gz	PTTFDCAKUPADRT-LZJOCLMNSA-N	1	0	359.514	1.780	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(-n3cncn3)cc2)C[C@H]1C	ZINC001104315568	774723430	/nfs/dbraw/zinc/72/34/30/774723430.db2.gz	VPSLEJBKBVUDLS-SJLPKXTDSA-N	1	0	351.454	1.978	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1C#N	ZINC000275952588	774744020	/nfs/dbraw/zinc/74/40/20/774744020.db2.gz	ZXIWLOHMQZTCDO-QZTJIDSGSA-N	1	0	370.453	1.299	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)CCNC(=O)c2ccsc2)C[C@H]1C	ZINC001104316289	774747872	/nfs/dbraw/zinc/74/78/72/774747872.db2.gz	SIESVRCJMVNCJH-HZPDHXFCSA-N	1	0	361.511	1.966	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C#N)ccc2OC)[C@@H](C)C1	ZINC000275965213	774767994	/nfs/dbraw/zinc/76/79/94/774767994.db2.gz	GHMGLHNSOSVXHR-BBRMVZONSA-N	1	0	358.442	1.694	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1(C[NH2+]Cc2ncnn2CC)CC1	ZINC001167435306	774843330	/nfs/dbraw/zinc/84/33/30/774843330.db2.gz	RSSQRHMJHRNKSJ-RDJZCZTQSA-N	1	0	361.490	1.655	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C(F)F)C[C@H]1c1ccccc1	ZINC001211505854	775067688	/nfs/dbraw/zinc/06/76/88/775067688.db2.gz	FCETWXBUBLYFJX-VHDGCEQUSA-N	1	0	351.397	1.526	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C[C@H]4C=CCC4)[C@@H]3C2)CC1	ZINC000971261912	775557072	/nfs/dbraw/zinc/55/70/72/775557072.db2.gz	RDICDHFVMDXYKK-DFQSSKMNSA-N	1	0	369.509	1.747	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)Cc2cccnc2)C1=O	ZINC001087149681	775937027	/nfs/dbraw/zinc/93/70/27/775937027.db2.gz	ZIEABTGYUKUKBD-NZSAHSFTSA-N	1	0	370.497	1.628	20	30		FDEDRO
Cc1nn(C)cc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC001087151455	775999479	/nfs/dbraw/zinc/99/94/79/775999479.db2.gz	RAMCCUVAEHSDJJ-DYVFJYSZSA-N	1	0	354.458	1.959	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2COCCN2C)[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001087152438	776095433	/nfs/dbraw/zinc/09/54/33/776095433.db2.gz	DJNOOVBZTKJKEN-LSTHTHJFSA-N	1	0	370.497	1.606	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCNC(=O)[C@H]2CC)c(OC)c1	ZINC000933222632	776220981	/nfs/dbraw/zinc/22/09/81/776220981.db2.gz	FIFVBXREANZNRV-DLBZAZTESA-N	1	0	362.470	1.764	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@]2(C)CCNC(=O)C2)C[C@H]1C	ZINC001104348390	776275606	/nfs/dbraw/zinc/27/56/06/776275606.db2.gz	FLQPXYFGPIBFHE-MDZRGWNJSA-N	1	0	351.491	1.180	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C4(CC)CC4)C[C@H]32)CC1	ZINC001021883895	776488424	/nfs/dbraw/zinc/48/84/24/776488424.db2.gz	OSQQCXPLFOOCQG-ZWKOTPCHSA-N	1	0	357.498	1.581	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)c4cc(C)no4)C[C@H]32)CC1	ZINC001021884269	776498308	/nfs/dbraw/zinc/49/83/08/776498308.db2.gz	VIEVEWLGQYRKKC-DLBZAZTESA-N	1	0	370.453	1.001	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CCNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000892712372	790491954	/nfs/dbraw/zinc/49/19/54/790491954.db2.gz	MYQQAXLSXVIOIO-HNNXBMFYSA-N	1	0	356.474	1.706	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)Cn2cc(Cl)cn2)C[C@H]1C	ZINC001104737589	790507084	/nfs/dbraw/zinc/50/70/84/790507084.db2.gz	KPDQELISSJHSBX-HUUCEWRRSA-N	1	0	352.866	1.261	20	30		FDEDRO
C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1	ZINC000684308025	777083991	/nfs/dbraw/zinc/08/39/91/777083991.db2.gz	WCFCGWZMMVLESG-UHFFFAOYSA-N	1	0	369.469	1.988	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC000973617006	790508162	/nfs/dbraw/zinc/50/81/62/790508162.db2.gz	IUIOCTXTNPAPCT-GJLUPPFNSA-N	1	0	369.469	1.478	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H]2CCNC2=O)C1	ZINC001075421947	777225472	/nfs/dbraw/zinc/22/54/72/777225472.db2.gz	BKTAMASAKHGDRW-QRQLOZEOSA-N	1	0	371.456	1.507	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N(C)CC)C2)cc1	ZINC001112505732	777329282	/nfs/dbraw/zinc/32/92/82/777329282.db2.gz	FEVRBQMPUOWXIV-UGKGYDQZSA-N	1	0	367.493	1.978	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCn3cncc3C2)C[C@H]1C	ZINC001104364040	777492541	/nfs/dbraw/zinc/49/25/41/777492541.db2.gz	UHWUZVMEVCBCRB-KZNAEPCWSA-N	1	0	358.486	1.170	20	30		FDEDRO
Cc1nnc(CNC(=[NH+]C2CCCC2)N2CCN(CC(C)C)CC2)n1C	ZINC000261932464	777500380	/nfs/dbraw/zinc/50/03/80/777500380.db2.gz	BQVCDSUREXAUPD-UHFFFAOYSA-N	1	0	361.538	1.785	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@]2(C(=O)OC)C[C@H]2c2ccccc2)CC1	ZINC000933352370	777500601	/nfs/dbraw/zinc/50/06/01/777500601.db2.gz	APBRMOWFGFPSHV-RXVVDRJESA-N	1	0	354.450	1.937	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cc(=O)[nH]cc2Br)CC1	ZINC000933356628	777515395	/nfs/dbraw/zinc/51/53/95/777515395.db2.gz	ZRXJYBRWQDKLSG-UHFFFAOYSA-N	1	0	352.232	1.767	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2[nH]ccc2C)C1=O	ZINC001087159813	777585789	/nfs/dbraw/zinc/58/57/89/777585789.db2.gz	ISOGPHXDVYKWPB-PVAVHDDUSA-N	1	0	358.486	1.940	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cnn3cc(C)cnc23)C[C@H]1C	ZINC001104741607	790552136	/nfs/dbraw/zinc/55/21/36/790552136.db2.gz	XLTCOEOWNRLVNP-IAGOWNOFSA-N	1	0	371.485	1.928	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cnnn2C)[C@H](C[NH2+]Cc2ccc(C#N)cc2F)C1	ZINC001087160376	777736597	/nfs/dbraw/zinc/73/65/97/777736597.db2.gz	HYBHDUVZKGJPHD-CJNGLKHVSA-N	1	0	370.432	1.856	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1	ZINC001075423202	777836339	/nfs/dbraw/zinc/83/63/39/777836339.db2.gz	POUKUIXQPRAIPB-NXHRZFHOSA-N	1	0	357.429	1.259	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(C3CC3)nn2C)C1	ZINC001022099892	777919073	/nfs/dbraw/zinc/91/90/73/777919073.db2.gz	TUBCXPOXOVYMMJ-QXSJWSMHSA-N	1	0	359.474	1.411	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c1	ZINC000933436972	778128150	/nfs/dbraw/zinc/12/81/50/778128150.db2.gz	XNXHJWNRXFNFDF-QAPCUYQASA-N	1	0	362.495	1.896	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1	ZINC000891556008	778303879	/nfs/dbraw/zinc/30/38/79/778303879.db2.gz	CTSBYYQKRLRSEV-UONOGXRCSA-N	1	0	355.360	1.977	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cccc(SCC#N)c2)CC1	ZINC000430694522	779148877	/nfs/dbraw/zinc/14/88/77/779148877.db2.gz	QHZDVNQQWFGIBJ-UHFFFAOYSA-N	1	0	374.510	1.975	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]32)cn1	ZINC001022294376	779192332	/nfs/dbraw/zinc/19/23/32/779192332.db2.gz	DFXABUBAGQSDAO-CGTJXYLNSA-N	1	0	354.454	1.076	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)COCC)C[C@H]2c2ccccc2)C1=O	ZINC001211524277	779297341	/nfs/dbraw/zinc/29/73/41/779297341.db2.gz	DBFAWGOUXUDWDH-GBESFXJTSA-N	1	0	371.481	1.394	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCC[C@@H]4[NH2+]CC[C@H]43)C2=O)cc1	ZINC000891764730	779303845	/nfs/dbraw/zinc/30/38/45/779303845.db2.gz	LKVIMDKEWLVQSD-OKZBNKHCSA-N	1	0	367.453	1.590	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N(CC[NH3+])Cc1cccc(Cl)c1	ZINC000891767570	779324156	/nfs/dbraw/zinc/32/41/56/779324156.db2.gz	LSBGSIWDJDVFFW-UHFFFAOYSA-N	1	0	359.879	1.411	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)N(C)C1	ZINC000328921534	779343009	/nfs/dbraw/zinc/34/30/09/779343009.db2.gz	CEZGQZDBTQRFEK-OKZBNKHCSA-N	1	0	365.449	1.875	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(F)c4ncccc4c3)[C@H]2C1	ZINC001083225877	779441731	/nfs/dbraw/zinc/44/17/31/779441731.db2.gz	UEAVNJQETWQYMK-ZWKOTPCHSA-N	1	0	353.397	1.922	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)c2ccc(C#N)nc2)CC1	ZINC000430890241	779500917	/nfs/dbraw/zinc/50/09/17/779500917.db2.gz	PHGLHWWQFOCRNM-UHFFFAOYSA-N	1	0	357.458	1.310	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)c1	ZINC000933797618	779671731	/nfs/dbraw/zinc/67/17/31/779671731.db2.gz	GVTMZFCGLBZOFJ-INIZCTEOSA-N	1	0	362.495	1.897	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)CC(=O)NC(C)C)C[C@H]1C	ZINC001104384646	779711397	/nfs/dbraw/zinc/71/13/97/779711397.db2.gz	BTHMCBZEIHPHPE-IAGOWNOFSA-N	1	0	352.523	1.093	20	30		FDEDRO
[NH3+]C[C@H]1CN(C(=O)NCCOCC(F)(F)C(F)F)C[C@@H]1C(F)(F)F	ZINC000891858459	779811677	/nfs/dbraw/zinc/81/16/77/779811677.db2.gz	QHVMQOHGWHBALK-YUMQZZPRSA-N	1	0	369.281	1.682	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1	ZINC000276872837	779978762	/nfs/dbraw/zinc/97/87/62/779978762.db2.gz	CUUNJYQEWUMBMF-YJBOKZPZSA-N	1	0	364.396	1.588	20	30		FDEDRO
C[NH+]=C(NCc1ccc(OC)c(C(=O)OC)c1)N1CC[C@@]2(CCOC2)C1	ZINC000261983702	780026128	/nfs/dbraw/zinc/02/61/28/780026128.db2.gz	PNRWDESTDMFRMV-LJQANCHMSA-N	1	0	361.442	1.670	20	30		FDEDRO
C[N@H+](CC(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1)C1CCC1	ZINC000971872879	780356795	/nfs/dbraw/zinc/35/67/95/780356795.db2.gz	JBVCYXJQEAHGNW-CXAGYDPISA-N	1	0	355.442	1.044	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1	ZINC000971875238	780394651	/nfs/dbraw/zinc/39/46/51/780394651.db2.gz	UBSYBXPQKKJEAS-CKEIUWERSA-N	1	0	355.442	1.044	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3c(c2)N(C)C(=O)C3)C[C@H]1C	ZINC001104390296	780661600	/nfs/dbraw/zinc/66/16/00/780661600.db2.gz	SYFMITYJXUZFFC-CRAIPNDOSA-N	1	0	353.466	1.917	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]21	ZINC001022567009	781171224	/nfs/dbraw/zinc/17/12/24/781171224.db2.gz	OJKQJQZJYDBLGA-FHLIZLRMSA-N	1	0	358.486	1.327	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cocc1C)C2	ZINC001112510315	781494508	/nfs/dbraw/zinc/49/45/08/781494508.db2.gz	HWUQOTYYIYVLRY-FTRWYGJKSA-N	1	0	357.454	1.558	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@H]1C	ZINC001104398358	781655088	/nfs/dbraw/zinc/65/50/88/781655088.db2.gz	HMVDQTJQVJNLJA-BRWVUGGUSA-N	1	0	350.507	1.818	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C)c(OC)c2)C[C@H]1C	ZINC001104398421	781664880	/nfs/dbraw/zinc/66/48/80/781664880.db2.gz	JZPSTHXQAHJTRI-SJLPKXTDSA-N	1	0	371.481	1.441	20	30		FDEDRO
CC[C@@H]([NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@H]1c1ccccc1)C(N)=O	ZINC001211537872	781750415	/nfs/dbraw/zinc/75/04/15/781750415.db2.gz	GKDLWZJYOIKCHB-ARFHVFGLSA-N	1	0	360.483	1.091	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccccc1CC)C2	ZINC001112518598	783644481	/nfs/dbraw/zinc/64/44/81/783644481.db2.gz	RHOXQFKZHZWLSV-AVRDEDQJSA-N	1	0	367.493	1.830	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1	ZINC001024120461	783756765	/nfs/dbraw/zinc/75/67/65/783756765.db2.gz	DTZVRYQUJZNRSZ-OWCLPIDISA-N	1	0	351.491	1.151	20	30		FDEDRO
N#Cc1ccccc1N1CCC(NC(=O)N2CCCO[C@H](C[NH3+])C2)CC1	ZINC000892428595	783780557	/nfs/dbraw/zinc/78/05/57/783780557.db2.gz	FLJXVXZRNBTBBP-QGZVFWFLSA-N	1	0	357.458	1.286	20	30		FDEDRO
N#Cc1ccccc1N1CCC(NC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1	ZINC000892428939	783811438	/nfs/dbraw/zinc/81/14/38/783811438.db2.gz	MRLQTRVEXCJXFX-SJLPKXTDSA-N	1	0	353.470	1.920	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)/C=C/c3ccc[nH]3)C[C@H]21	ZINC000972835485	783904231	/nfs/dbraw/zinc/90/42/31/783904231.db2.gz	WAQQWCLWCHGNHB-XIJJBZNQSA-N	1	0	366.465	1.185	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2nnnn2C(C)C)C1	ZINC001024164595	784154505	/nfs/dbraw/zinc/15/45/05/784154505.db2.gz	DOUDMZKABIQJHB-OAGGEKHMSA-N	1	0	362.478	1.173	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1	ZINC000658554303	784297344	/nfs/dbraw/zinc/29/73/44/784297344.db2.gz	FFIKIDUQRKQLJF-MSOLQXFVSA-N	1	0	362.518	1.040	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cnoc2CC)C[C@H]1C	ZINC001104742762	791021617	/nfs/dbraw/zinc/02/16/17/791021617.db2.gz	KMUPPDZJIXXQMR-QLFBSQMISA-N	1	0	360.458	1.063	20	30		FDEDRO
N#CCSc1ccccc1NC(=O)CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC000375797947	784903843	/nfs/dbraw/zinc/90/38/43/784903843.db2.gz	VXDSGZIDEMSEMH-IRXDYDNUSA-N	1	0	374.510	1.772	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@H]1c1ccccc1	ZINC001211631920	784929180	/nfs/dbraw/zinc/92/91/80/784929180.db2.gz	WEOINUKSKNIWQY-CEXWTWQISA-N	1	0	368.481	1.385	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH+]1CCC([C@H]2CCCCCN2C(=O)COC)CC1	ZINC000375812609	784996133	/nfs/dbraw/zinc/99/61/33/784996133.db2.gz	RELONASTLNTZOI-FUHWJXTLSA-N	1	0	365.518	1.807	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)COc3ccccc3C#N)C2)CC1	ZINC000375887609	785226981	/nfs/dbraw/zinc/22/69/81/785226981.db2.gz	ZELYFXCSXNLJCT-GOSISDBHSA-N	1	0	356.470	1.564	20	30		FDEDRO
CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)C1	ZINC000892499312	785347872	/nfs/dbraw/zinc/34/78/72/785347872.db2.gz	UJWUUUDOSMNVCY-MRXNPFEDSA-N	1	0	356.474	1.563	20	30		FDEDRO
C[C@H]1CCOCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000376149924	786011523	/nfs/dbraw/zinc/01/15/23/786011523.db2.gz	KFMYOMKVKQWKQR-QFBILLFUSA-N	1	0	374.460	1.645	20	30		FDEDRO
COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cnc3ccc(C#N)cn23)C1	ZINC000511475829	786973608	/nfs/dbraw/zinc/97/36/08/786973608.db2.gz	FXJCSYYGDIQUMU-HOCLYGCPSA-N	1	0	355.442	1.569	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@@H]2CN(C(=O)Cn3ccnc3)[C@@H]2C1	ZINC000972993976	787242621	/nfs/dbraw/zinc/24/26/21/787242621.db2.gz	FBRRMYUXAKTRNB-NVXWUHKLSA-N	1	0	353.426	1.244	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(n2cc(C[NH2+]CCCC)nn2)C1	ZINC001105340735	805797036	/nfs/dbraw/zinc/79/70/36/805797036.db2.gz	NWZWQASOTZDGAL-ROUUACIJSA-N	1	0	361.490	1.922	20	30		FDEDRO
N#C[C@H]1CN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1ccccc1	ZINC000892602114	787592069	/nfs/dbraw/zinc/59/20/69/787592069.db2.gz	UTFWFDAZOVGGPP-YRPNKDGESA-N	1	0	367.497	1.937	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3nccnc3C)C[C@H]21	ZINC000978831557	805813341	/nfs/dbraw/zinc/81/33/41/805813341.db2.gz	MJTBKUZBGNAQCA-CBNQQXHVSA-N	1	0	370.497	1.950	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN(C)S(C)(=O)=O)C1	ZINC001104553193	787756444	/nfs/dbraw/zinc/75/64/44/787756444.db2.gz	VUPGUMLYESKNSO-IAGOWNOFSA-N	1	0	371.547	1.146	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2C[C@H]2C(N)=O)cc1C#N	ZINC001025084155	787777281	/nfs/dbraw/zinc/77/72/81/787777281.db2.gz	PQQOEWGDPPJPPN-ZACQAIPSSA-N	1	0	370.453	1.159	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000978868571	805856902	/nfs/dbraw/zinc/85/69/02/805856902.db2.gz	BNIBVHZSNOTNJV-SKWUIDRYSA-N	1	0	353.466	1.633	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1	ZINC000978874494	805870642	/nfs/dbraw/zinc/87/06/42/805870642.db2.gz	LJHGIARGKZCEHJ-LVEJAMMSSA-N	1	0	363.502	1.320	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1	ZINC000978903493	805890498	/nfs/dbraw/zinc/89/04/98/805890498.db2.gz	AVJDLLCDPKXBKO-WKULXVSPSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1	ZINC000973326068	788615460	/nfs/dbraw/zinc/61/54/60/788615460.db2.gz	QAWCMNFFQFJCJP-PANQXIRQSA-N	1	0	361.486	1.217	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3nnn(C)c3C2)C[C@H]1C	ZINC001104587075	788736090	/nfs/dbraw/zinc/73/60/90/788736090.db2.gz	FMNPAIXLOUKEGC-BPLDGKMQSA-N	1	0	365.909	1.747	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cccnc2C)C[C@H]1C	ZINC001104601176	788837881	/nfs/dbraw/zinc/83/78/81/788837881.db2.gz	BMIMGWSKJKGYNU-DJIMGWMZSA-N	1	0	358.486	1.769	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(F)c(C)c2)C[C@H]1C	ZINC001104608935	788879070	/nfs/dbraw/zinc/87/90/70/788879070.db2.gz	UKENFGBZSMAYOR-NVXWUHKLSA-N	1	0	359.445	1.571	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1CC[NH2+]Cc1ccc(C#N)s1	ZINC001104612756	788889530	/nfs/dbraw/zinc/88/95/30/788889530.db2.gz	CUEHUXRQGAFHQS-CHWSQXEVSA-N	1	0	360.483	1.459	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCNC(C)=O)C1	ZINC001104631333	789058234	/nfs/dbraw/zinc/05/82/34/789058234.db2.gz	JPNTZWJJHNXARK-POAQFYNOSA-N	1	0	367.534	1.816	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccn3cc(C)nc3c2)C[C@H]1C	ZINC001104674466	789292354	/nfs/dbraw/zinc/29/23/54/789292354.db2.gz	NWKGRYLPGWJZAD-VQIMIIECSA-N	1	0	368.481	1.980	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)C=C)C[C@H]1c1ccccc1	ZINC001211647294	789357400	/nfs/dbraw/zinc/35/74/00/789357400.db2.gz	YNXVNVFIYRQXFY-ZWKOTPCHSA-N	1	0	353.466	1.532	20	30		FDEDRO
C=C(Br)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C	ZINC001104685431	789374714	/nfs/dbraw/zinc/37/47/14/789374714.db2.gz	JKIHYFRRFDTKSP-JHEVNIALSA-N	1	0	358.280	1.091	20	30		FDEDRO
C=CCn1c([C@H]2CCCO2)nnc1N1CCN(CCOCCOC)CC1	ZINC000652562142	805972924	/nfs/dbraw/zinc/97/29/24/805972924.db2.gz	QYAKFDRQGUBNFD-MRXNPFEDSA-N	1	0	365.478	1.101	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1	ZINC001025436703	789543500	/nfs/dbraw/zinc/54/35/00/789543500.db2.gz	NDVCPSATADYUMR-HZPDHXFCSA-N	1	0	351.491	1.007	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnc(C3CC3)[nH]2)C1	ZINC001104704293	789553332	/nfs/dbraw/zinc/55/33/32/789553332.db2.gz	QPBZWQPOKARVOR-DZUCGIPZSA-N	1	0	373.501	1.847	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccnc(C3CC3)n2)C[C@H]1C	ZINC001104746441	791688202	/nfs/dbraw/zinc/68/82/02/791688202.db2.gz	JKSLHFDVDBWWPF-NVXWUHKLSA-N	1	0	356.470	1.692	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)ccc1OCC(F)(F)F	ZINC000415269611	791792548	/nfs/dbraw/zinc/79/25/48/791792548.db2.gz	PNGAUHZBYDDQGP-NSHDSACASA-N	1	0	370.331	1.388	20	30		FDEDRO
C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1	ZINC000415299426	791876393	/nfs/dbraw/zinc/87/63/93/791876393.db2.gz	MRXLUJQBUOHXGN-LBPRGKRZSA-N	1	0	370.331	1.258	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)ccc1OCC(F)(F)F	ZINC000415301682	791882354	/nfs/dbraw/zinc/88/23/54/791882354.db2.gz	BQVLNSOANOPAII-GFCCVEGCSA-N	1	0	370.331	1.306	20	30		FDEDRO
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)c1C	ZINC000415377526	792135309	/nfs/dbraw/zinc/13/53/09/792135309.db2.gz	MAHKIKWYIYETIN-HNNXBMFYSA-N	1	0	366.425	1.168	20	30		FDEDRO
CCCN(C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H]1CC[NH2+]C1	ZINC000415384799	792138357	/nfs/dbraw/zinc/13/83/57/792138357.db2.gz	AERUZVJMZPNFIU-LBPRGKRZSA-N	1	0	366.368	1.699	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](c2ccccn2)C2CCC2)CC1	ZINC000636676404	806130744	/nfs/dbraw/zinc/13/07/44/806130744.db2.gz	HAQYTWLUYYWJKT-SFHVURJKSA-N	1	0	356.470	1.806	20	30		FDEDRO
C=CCN(C(=O)C(=O)c1cnn(C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000377573308	792247529	/nfs/dbraw/zinc/24/75/29/792247529.db2.gz	NYSAJOILBBORFY-SFHVURJKSA-N	1	0	352.438	1.892	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)CC[NH2+]1	ZINC000415437360	792270496	/nfs/dbraw/zinc/27/04/96/792270496.db2.gz	PFUSSHDNCJFWMH-CYBMUJFWSA-N	1	0	365.393	1.504	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)NCCC[C@H]3CCC[NH2+]3)n2)c(F)c1	ZINC000415462146	792309844	/nfs/dbraw/zinc/30/98/44/792309844.db2.gz	PFDXCUFXIWHECX-CQSZACIVSA-N	1	0	356.405	2.537	20	30		FDEDRO
CC(=O)NCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001112038642	792555996	/nfs/dbraw/zinc/55/59/96/792555996.db2.gz	KECXOJBICYZHSB-HUUCEWRRSA-N	1	0	368.359	1.173	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1C(F)(F)F	ZINC001112038930	792574622	/nfs/dbraw/zinc/57/46/22/792574622.db2.gz	XZYOSLMOJSGVNQ-VXGBXAGGSA-N	1	0	350.337	1.056	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+]	ZINC000415580115	792597634	/nfs/dbraw/zinc/59/76/34/792597634.db2.gz	QYSQKHZWHRZLMF-HNNXBMFYSA-N	1	0	374.489	1.966	20	30		FDEDRO
CCCc1c(NC(=O)N2CCO[C@@H](C[NH3+])C2)cnn1-c1cccc(C#N)c1	ZINC000415582818	792603088	/nfs/dbraw/zinc/60/30/88/792603088.db2.gz	UVYJVWFPHOEBBA-INIZCTEOSA-N	1	0	368.441	1.888	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1	ZINC000415625175	792719642	/nfs/dbraw/zinc/71/96/42/792719642.db2.gz	OYTUXBLZXPCIJX-WFASDCNBSA-N	1	0	359.430	1.047	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2	ZINC000415654236	792754374	/nfs/dbraw/zinc/75/43/74/792754374.db2.gz	XZWQTIRAEMGEBD-UHFFFAOYSA-N	1	0	364.405	1.815	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N(CC[NH3+])CCc2ccccc2)ccc1C#N	ZINC000415696933	792826635	/nfs/dbraw/zinc/82/66/35/792826635.db2.gz	URNIWQJBNVZEOC-UHFFFAOYSA-N	1	0	351.410	1.230	20	30		FDEDRO
CC(C)[NH+]1CCN([C@H]2CCN(CC(=O)Nc3cccc(C#N)c3)C2)CC1	ZINC000377829998	792884629	/nfs/dbraw/zinc/88/46/29/792884629.db2.gz	AARWSKPQIGIIHG-IBGZPJMESA-N	1	0	355.486	1.597	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@@]1(C)C[NH3+]	ZINC000415836647	793104853	/nfs/dbraw/zinc/10/48/53/793104853.db2.gz	FNDYHBSWDKYMFE-BMLIUANNSA-N	1	0	366.368	1.541	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)ccc1C#N	ZINC000415856211	793189125	/nfs/dbraw/zinc/18/91/25/793189125.db2.gz	FAUFKSCLKFJYLU-UHFFFAOYSA-N	1	0	367.453	1.470	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1	ZINC000415880971	793279850	/nfs/dbraw/zinc/27/98/50/793279850.db2.gz	SRBHZOGBZBFDOC-FUHWJXTLSA-N	1	0	370.453	1.550	20	30		FDEDRO
CO[C@@H]1CN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C[C@@H]1OC	ZINC000330177489	793473955	/nfs/dbraw/zinc/47/39/55/793473955.db2.gz	KSXLLWKLAOZUGW-CALCHBBNSA-N	1	0	369.506	1.529	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](C)c3cnccn3)C2)nn1	ZINC001104769292	793555745	/nfs/dbraw/zinc/55/57/45/793555745.db2.gz	OFOAGOCOCFRSBW-OWCLPIDISA-N	1	0	369.473	1.703	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@]2(C)CCCS2(=O)=O)C[C@H]1C	ZINC001104781611	793628054	/nfs/dbraw/zinc/62/80/54/793628054.db2.gz	ZJSTUFDKVUBJNA-JFIYKMOQSA-N	1	0	356.532	1.994	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C)C1	ZINC001104782687	793633379	/nfs/dbraw/zinc/63/33/79/793633379.db2.gz	OJEYKCLOWZTINZ-CBZIJGRNSA-N	1	0	351.491	1.130	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nncn2C)C1	ZINC001104782670	793633450	/nfs/dbraw/zinc/63/34/50/793633450.db2.gz	NPMLYCOZUFIVGZ-CBZIJGRNSA-N	1	0	361.490	1.371	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCO[C@H]2C(=C)C)C[C@H]1C	ZINC001104782915	793634433	/nfs/dbraw/zinc/63/44/33/793634433.db2.gz	ZRIHSQVQJMDIEB-VXNCWWDNSA-N	1	0	363.502	1.344	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1CC[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001104790922	793687100	/nfs/dbraw/zinc/68/71/00/793687100.db2.gz	JLBJJZCCQCXTOA-CZUORRHYSA-N	1	0	370.432	1.714	20	30		FDEDRO
CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C	ZINC001104803870	793767192	/nfs/dbraw/zinc/76/71/92/793767192.db2.gz	ZJEWJRMPAQJYNS-HZPDHXFCSA-N	1	0	366.506	1.583	20	30		FDEDRO
COCCCC[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@H]1C(F)(F)F	ZINC001112052765	793853454	/nfs/dbraw/zinc/85/34/54/793853454.db2.gz	AUNDYQPUNCBSBE-VXGBXAGGSA-N	1	0	353.410	1.649	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnon2)C[C@H]1CC[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001104816508	793870786	/nfs/dbraw/zinc/87/07/86/793870786.db2.gz	BGJIEIYPTPWEAA-TZMCWYRMSA-N	1	0	357.389	1.968	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C[C@H]1C	ZINC001104827959	793933102	/nfs/dbraw/zinc/93/31/02/793933102.db2.gz	NKIHUKRWKNQNEW-UKRRQHHQSA-N	1	0	362.474	1.779	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2nc(C)oc2C)C[C@H]1C	ZINC001104831223	793959361	/nfs/dbraw/zinc/95/93/61/793959361.db2.gz	UZKUDSXLMYAJOY-DVOMOZLQSA-N	1	0	362.474	1.670	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1	ZINC000893223596	794082218	/nfs/dbraw/zinc/08/22/18/794082218.db2.gz	JJJKIJSYRSPSAH-SFHVURJKSA-N	1	0	360.458	1.609	20	30		FDEDRO
C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C[C@@H](C)O2	ZINC001098610920	794243075	/nfs/dbraw/zinc/24/30/75/794243075.db2.gz	QSMYVVQBOPIMEX-BRWVUGGUSA-N	1	0	356.470	1.618	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCCS(C)(=O)=O)C[C@H]1c1ccccc1	ZINC001211690764	806321242	/nfs/dbraw/zinc/32/12/42/806321242.db2.gz	KFFSGEANHICRLN-ZWKOTPCHSA-N	1	0	364.511	1.972	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cc(CC)on2)C[C@H]1C	ZINC001104927633	794435714	/nfs/dbraw/zinc/43/57/14/794435714.db2.gz	NJYOPFUPWXGFMJ-RBSFLKMASA-N	1	0	362.474	1.616	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)Cn2nc(C)ccc2=O)C[C@H]1C	ZINC001104935532	794466012	/nfs/dbraw/zinc/46/60/12/794466012.db2.gz	WFQUNVASTOVGQF-IUODEOHRSA-N	1	0	352.866	1.378	20	30		FDEDRO
COC(=O)[C@@H]1CN(C(=O)Nc2cc(C#N)ccc2OC(C)C)CC[N@H+](C)C1	ZINC000416760105	794603572	/nfs/dbraw/zinc/60/35/72/794603572.db2.gz	GRCNOEKIRWWXES-HNNXBMFYSA-N	1	0	374.441	1.914	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N2CC[N@H+](C)C[C@H](C(=O)OC)C2)cc1	ZINC000416771724	794614572	/nfs/dbraw/zinc/61/45/72/794614572.db2.gz	QTWYBYDCMCIJKI-HNNXBMFYSA-N	1	0	374.441	1.171	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N2CC[N@H+](C)C[C@@H](C(=O)OC)C2)cc1	ZINC000416771725	794614773	/nfs/dbraw/zinc/61/47/73/794614773.db2.gz	QTWYBYDCMCIJKI-OAHLLOKOSA-N	1	0	374.441	1.171	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CNC(=O)CCC(C)C)C[C@H]1c1ccccc1	ZINC001211690904	806345242	/nfs/dbraw/zinc/34/52/42/806345242.db2.gz	PEHXBIURNYNNHT-RBUKOAKNSA-N	1	0	355.482	1.756	20	30		FDEDRO
C#CCCCNC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1	ZINC000173520070	794655853	/nfs/dbraw/zinc/65/58/53/794655853.db2.gz	CAOPJIXNMJXMMQ-UHFFFAOYSA-N	1	0	374.460	1.824	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cn3ccccc3n2)C[C@H]1C	ZINC001104976588	794696034	/nfs/dbraw/zinc/69/60/34/794696034.db2.gz	RRDWHCILADJZJJ-IAGOWNOFSA-N	1	0	354.454	1.672	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)Cc2ccccc2)C[C@H]1C	ZINC001104980844	794722887	/nfs/dbraw/zinc/72/28/87/794722887.db2.gz	SEFUIUXDKSTYKW-IEBWSBKVSA-N	1	0	355.482	1.443	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)C2CCN(C(N)=O)CC2)C[C@H]1C	ZINC001104993249	794751522	/nfs/dbraw/zinc/75/15/22/794751522.db2.gz	PEGZFGRFQGHZAX-NVXWUHKLSA-N	1	0	366.506	1.054	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCCS(C)(=O)=O)C[C@H]1c1ccccc1	ZINC001211691153	806364958	/nfs/dbraw/zinc/36/49/58/806364958.db2.gz	WUCDYIWUIHBOLA-ZWKOTPCHSA-N	1	0	362.495	1.419	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCc2ccc(C)o2)C[C@H]1C	ZINC001105059233	795092458	/nfs/dbraw/zinc/09/24/58/795092458.db2.gz	QRDBDWDYROZBMB-NVXWUHKLSA-N	1	0	359.470	1.344	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2c(C)nnn2CC)C1	ZINC001105090278	795234404	/nfs/dbraw/zinc/23/44/04/795234404.db2.gz	PCCFHOCABNTYLI-HYVNUMGLSA-N	1	0	363.506	1.772	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(CC)CC)C1	ZINC001105091324	795240324	/nfs/dbraw/zinc/24/03/24/795240324.db2.gz	ZGROHIWOQJJQPJ-IXDOHACOSA-N	1	0	367.534	1.957	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)NCCC[C@H]3CCC[NH2+]3)C2=O)cc1	ZINC000418012986	795461437	/nfs/dbraw/zinc/46/14/37/795461437.db2.gz	SRVGPDBWZDNKRO-SJLPKXTDSA-N	1	0	369.469	1.885	20	30		FDEDRO
C[C@@H](CCCC[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000418082637	795520666	/nfs/dbraw/zinc/52/06/66/795520666.db2.gz	XVALNQARAPOLTR-WMLDXEAASA-N	1	0	357.458	1.476	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CCC(=C)C)nn2)C1	ZINC001105242832	795532155	/nfs/dbraw/zinc/53/21/55/795532155.db2.gz	KPNAYPGQETWICO-MSOLQXFVSA-N	1	0	359.474	1.698	20	30		FDEDRO
N#Cc1ccccc1C[NH2+]C1CCC(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1	ZINC001026558355	795550435	/nfs/dbraw/zinc/55/04/35/795550435.db2.gz	JJRDVXPZCQNTPZ-ZGUYJTEBSA-N	1	0	370.453	1.108	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC([NH2+]Cc2ncnn2C(C)C)CC1	ZINC001026563621	795557191	/nfs/dbraw/zinc/55/71/91/795557191.db2.gz	BFJYNCVBNLKMAF-BACDZXNISA-N	1	0	361.490	1.967	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC([NH2+]Cc2nnc(C)n2CC)CC1	ZINC001026563817	795558049	/nfs/dbraw/zinc/55/80/49/795558049.db2.gz	IFLQQADZYKVNSH-BACDZXNISA-N	1	0	361.490	1.715	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCC([NH2+]CCN2CCNC2=O)CC1	ZINC001026575127	795580281	/nfs/dbraw/zinc/58/02/81/795580281.db2.gz	ADODVIIXBWEEJD-GQGLESIBSA-N	1	0	364.490	1.010	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC#N)C1	ZINC001211655576	795707133	/nfs/dbraw/zinc/70/71/33/795707133.db2.gz	PBDPDCQYFUZOHU-RBUKOAKNSA-N	1	0	366.465	1.404	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCOC(C)C)C1	ZINC001112100578	796019863	/nfs/dbraw/zinc/01/98/63/796019863.db2.gz	FPEGRNXDHPWAPS-RBSFLKMASA-N	1	0	364.408	1.819	20	30		FDEDRO
C=C(C)Cn1c(-c2ncon2)nnc1N1CC[NH+](C(C)(C)COC)CC1	ZINC000909330799	796043337	/nfs/dbraw/zinc/04/33/37/796043337.db2.gz	IUHAPJKTZQDWTC-UHFFFAOYSA-N	1	0	361.450	1.451	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1	ZINC000979857008	806566330	/nfs/dbraw/zinc/56/63/30/806566330.db2.gz	RKXGCBJNEQJCHH-DZVNLGKHSA-N	1	0	363.502	1.463	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1Cc3ccncc3C1)C2	ZINC001112530410	806571699	/nfs/dbraw/zinc/57/16/99/806571699.db2.gz	SPUUGNNWPCSKHQ-VCOUNFBDSA-N	1	0	367.493	1.665	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1	ZINC000979967992	806637469	/nfs/dbraw/zinc/63/74/69/806637469.db2.gz	PNYIRSBGKXMTQS-ZKXLYKBJSA-N	1	0	359.514	1.777	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)C2CC[NH+](C)CC2)C1	ZINC000979992076	806662443	/nfs/dbraw/zinc/66/24/43/806662443.db2.gz	GWTUIJZBEJMKJQ-DKIMLUQUSA-N	1	0	363.502	1.320	20	30		FDEDRO
C=CC[C@]1(C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CCC[NH2+]1	ZINC000662460570	806684277	/nfs/dbraw/zinc/68/42/77/806684277.db2.gz	BAYSZFXLFPMAAZ-HXUWFJFHSA-N	1	0	357.454	1.474	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CCC(F)CC1)C2	ZINC001112523377	799937635	/nfs/dbraw/zinc/93/76/35/799937635.db2.gz	PUMPZYYJWIRXDQ-UGZUTAHUSA-N	1	0	363.477	1.482	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ncnn2CCF)C1	ZINC001026849984	800017111	/nfs/dbraw/zinc/01/71/11/800017111.db2.gz	LBHJBEHEBCVEKK-XHSDSOJGSA-N	1	0	365.453	1.167	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1c1ccccc1	ZINC001211659528	800084985	/nfs/dbraw/zinc/08/49/85/800084985.db2.gz	LZSJQXLAHBEQAO-GBESFXJTSA-N	1	0	370.497	1.998	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCN(C(=O)c3ccc(C)c(OC)c3)CC2)CCC[NH2+]1	ZINC000662510666	806807393	/nfs/dbraw/zinc/80/73/93/806807393.db2.gz	OKCJQKUOCKBVHU-NRFANRHFSA-N	1	0	371.481	1.986	20	30		FDEDRO
C=CC[C@@]1(C(=O)N[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CCC[NH2+]1	ZINC000662516856	806812016	/nfs/dbraw/zinc/81/20/16/806812016.db2.gz	HSZKXXBBRXWZTR-KSSFIOAISA-N	1	0	365.499	1.812	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C(C)(C)C1	ZINC000974737380	800221265	/nfs/dbraw/zinc/22/12/65/800221265.db2.gz	RVGXAUKAKNRQDE-XQQFMLRXSA-N	1	0	350.381	1.735	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H](F)C(C)C)[C@@H]3C2)CC1	ZINC000974822095	800359205	/nfs/dbraw/zinc/35/92/05/800359205.db2.gz	VTOJZTAWWWUIOH-KURKYZTESA-N	1	0	363.477	1.385	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)CCC[NH2+]1	ZINC000662587456	806856022	/nfs/dbraw/zinc/85/60/22/806856022.db2.gz	DTSNOKIKTGTFLS-KRWDZBQOSA-N	1	0	351.472	1.397	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)C[N@H+]4CC[C@@H](C)C4)[C@@H]3C2)nc1	ZINC000975221315	801020841	/nfs/dbraw/zinc/02/08/41/801020841.db2.gz	IPVUIXFBAABDED-SZVBFZGTSA-N	1	0	366.465	1.078	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3nn[nH]c32)C[C@H]1c1ccccc1	ZINC001211661920	801034038	/nfs/dbraw/zinc/03/40/38/801034038.db2.gz	MNRXCBZVANRPDP-ZIFCJYIRSA-N	1	0	363.465	1.832	20	30		FDEDRO
C=CC[C@@]1(C(=O)N[C@@H]2CCN(Cc3ccc(OC)cc3)C2=O)CCC[NH2+]1	ZINC000662616361	806882237	/nfs/dbraw/zinc/88/22/37/806882237.db2.gz	SRCGHMBEEGOXOT-XLIONFOSSA-N	1	0	357.454	1.611	20	30		FDEDRO
C=CC[C@]1(C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)CCC[NH2+]1	ZINC000662622850	806885282	/nfs/dbraw/zinc/88/52/82/806885282.db2.gz	UVCGDTGVDBRTBZ-QGZVFWFLSA-N	1	0	367.446	1.903	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1	ZINC000980259110	806909644	/nfs/dbraw/zinc/90/96/44/806909644.db2.gz	MUOMCMQYVLFOOV-FRMKIJSPSA-N	1	0	363.502	1.319	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1	ZINC000660853145	801787169	/nfs/dbraw/zinc/78/71/69/801787169.db2.gz	QZOVEPLUFNNGNS-IAGOWNOFSA-N	1	0	350.507	1.927	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]32)C1	ZINC000975665646	801885603	/nfs/dbraw/zinc/88/56/03/801885603.db2.gz	BVBGAOYKHIZHGN-VKJFTORMSA-N	1	0	369.469	1.291	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@H]2C1	ZINC000975700563	802061683	/nfs/dbraw/zinc/06/16/83/802061683.db2.gz	DXOBJGHLMZZSSA-HFSMHLIXSA-N	1	0	369.509	1.724	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@@H]3CCN(C(=O)C[NH+]4CCCC4)C[C@@H]32)c[nH]1	ZINC000975716478	802109232	/nfs/dbraw/zinc/10/92/32/802109232.db2.gz	OJNZWLUXBXMALM-YOEHRIQHSA-N	1	0	355.442	1.045	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21	ZINC000975804328	802467736	/nfs/dbraw/zinc/46/77/36/802467736.db2.gz	DQOHBOWHTUFKAW-LPHOPBHVSA-N	1	0	362.433	1.811	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)[C@H]4CC45CC5)C[C@@H]32)CC1	ZINC000976095788	802953885	/nfs/dbraw/zinc/95/38/85/802953885.db2.gz	DUTIQKJPLQMBHP-UHOSZYNNSA-N	1	0	369.509	1.581	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)CCC[NH2+]1	ZINC000662756023	803069567	/nfs/dbraw/zinc/06/95/67/803069567.db2.gz	GXJPPTMUNAXTJY-FQEVSTJZSA-N	1	0	360.477	1.762	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCC[N@H+]2C)c1	ZINC000976415293	803345470	/nfs/dbraw/zinc/34/54/70/803345470.db2.gz	GZZHFIMLSPEROM-KZNAEPCWSA-N	1	0	354.454	1.314	20	30		FDEDRO
C=CC[C@@]1(C(=O)NC2CCN(S(=O)(=O)CC(C)C)CC2)CCC[NH2+]1	ZINC000662808603	803388229	/nfs/dbraw/zinc/38/82/29/803388229.db2.gz	WOWQALILJGEQGX-KRWDZBQOSA-N	1	0	357.520	1.251	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2CC(C)C2)CC1	ZINC000976497589	803456328	/nfs/dbraw/zinc/45/63/28/803456328.db2.gz	URKHBZMDWXIEGT-JDGDGYACSA-N	1	0	359.514	1.921	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@]23CC[N@H+](C2)CCC3)[nH]1	ZINC000976539269	803490382	/nfs/dbraw/zinc/49/03/82/803490382.db2.gz	NAFWMMKCHZJLPV-QINHECLXSA-N	1	0	369.469	1.529	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[NH+]3CCC2CC3)[nH]1	ZINC000976539356	803491150	/nfs/dbraw/zinc/49/11/50/803491150.db2.gz	OPCIDJKTCQHRLZ-GVDBMIGSSA-N	1	0	369.469	1.385	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(C#N)c2)CC1	ZINC000976556321	803521256	/nfs/dbraw/zinc/52/12/56/803521256.db2.gz	SYHXUJBBYBQIAR-QZTJIDSGSA-N	1	0	371.485	1.775	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]21	ZINC000976576254	803545724	/nfs/dbraw/zinc/54/57/24/803545724.db2.gz	YEXOACZUGCDRCR-SOMFZHDCSA-N	1	0	363.502	1.271	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@H]21	ZINC000976587051	803564799	/nfs/dbraw/zinc/56/47/99/803564799.db2.gz	UGXDYBXXJOEQMP-ZRTWPRGNSA-N	1	0	361.486	1.025	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2C2CCC2)CC1	ZINC000976587658	803566413	/nfs/dbraw/zinc/56/64/13/803566413.db2.gz	NMQGENNHBXVZSD-PXTPFGJHSA-N	1	0	369.509	1.341	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC000976606284	803575210	/nfs/dbraw/zinc/57/52/10/803575210.db2.gz	BQRRCQUAKZBJDS-DOEOUOAPSA-N	1	0	370.497	1.591	20	30		FDEDRO
CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(c2ccccc2C#N)CC1	ZINC000423064023	814950309	/nfs/dbraw/zinc/95/03/09/814950309.db2.gz	XWPDZJFYAUOZTG-KRWDZBQOSA-N	1	0	371.485	1.039	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1	ZINC000423081248	814956608	/nfs/dbraw/zinc/95/66/08/814956608.db2.gz	CISTWMPIRDMKAY-GOSISDBHSA-N	1	0	368.481	1.753	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC[C@H]([N@H+](C)Cc3ccc(C#N)cc3)C2)C1	ZINC001027415116	803797012	/nfs/dbraw/zinc/79/70/12/803797012.db2.gz	FMJRFMZYTNWCBO-AYOQOUSVSA-N	1	0	368.481	1.896	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCc2ccnn2C)C1	ZINC001027415924	803805580	/nfs/dbraw/zinc/80/55/80/803805580.db2.gz	UURWVMKNFDTMAU-QRVBRYPASA-N	1	0	360.502	1.867	20	30		FDEDRO
[NH3+]C[C@@H](NC(=O)c1ccc(OCC(F)(F)C(F)F)nc1)C(F)(F)F	ZINC000655511743	803943073	/nfs/dbraw/zinc/94/30/73/803943073.db2.gz	KMLIJHWZTJYZDO-SSDOTTSWSA-N	1	0	363.233	1.980	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1	ZINC000423168110	814986280	/nfs/dbraw/zinc/98/62/80/814986280.db2.gz	GSVBRPAGCKXPSQ-FUHWJXTLSA-N	1	0	357.454	1.420	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1	ZINC000423172348	814987600	/nfs/dbraw/zinc/98/76/00/814987600.db2.gz	SLFMKPDBMABTRJ-NRFANRHFSA-N	1	0	371.481	1.812	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C23CC[NH+](CC2)C3)cc1	ZINC000976987391	804242150	/nfs/dbraw/zinc/24/21/50/804242150.db2.gz	HQHLPKAQYPQKBL-RTBURBONSA-N	1	0	365.477	1.921	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1	ZINC000423254413	815021320	/nfs/dbraw/zinc/02/13/20/815021320.db2.gz	XZPUZEKRDSKXND-QGZVFWFLSA-N	1	0	372.469	1.121	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C2(CF)CC2)C[C@H]1c1ccccc1	ZINC001211673308	804800104	/nfs/dbraw/zinc/80/01/04/804800104.db2.gz	BVYUPFYIBBAUEZ-RYQLBKOJSA-N	1	0	371.456	1.458	20	30		FDEDRO
C=CCOCCCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1	ZINC000661795287	804861074	/nfs/dbraw/zinc/86/10/74/804861074.db2.gz	ZZQXLZODTWHLIT-JWTNVVGKSA-N	1	0	350.507	1.532	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1	ZINC000663013805	804883552	/nfs/dbraw/zinc/88/35/52/804883552.db2.gz	ARKIWQRZKMEPKP-CVEARBPZSA-N	1	0	361.490	1.507	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCN2C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC000977803331	804965810	/nfs/dbraw/zinc/96/58/10/804965810.db2.gz	BRISLXLSQXSPHZ-YESZJQIVSA-N	1	0	357.458	1.290	20	30		FDEDRO
N#CCOc1ccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@]45C[C@H]4COC5)[C@@H]3C2)cc1	ZINC000978173504	805274608	/nfs/dbraw/zinc/27/46/08/805274608.db2.gz	WUXZETIMDFBKKW-RFCWIEKVSA-N	1	0	367.449	1.419	20	30		FDEDRO
O=C(NC[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21)[C@@H]1C[C@H]1c1c[nH]cn1	ZINC000978294473	805345477	/nfs/dbraw/zinc/34/54/77/805345477.db2.gz	PYQKENOLZMYDDP-WAPOTWQKSA-N	1	0	360.461	1.859	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cn(CC3CC3)nn2)C[C@H]1c1ccccc1	ZINC001211696256	807173899	/nfs/dbraw/zinc/17/38/99/807173899.db2.gz	CJBUFWHGUPDHIK-RBUKOAKNSA-N	1	0	363.465	1.909	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)C[C@@]1(C)C[NH3+]	ZINC000423530608	815102623	/nfs/dbraw/zinc/10/26/23/815102623.db2.gz	RKWJASFQBKKPMP-QTQZEZTPSA-N	1	0	368.481	1.728	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1	ZINC000423532121	815104763	/nfs/dbraw/zinc/10/47/63/815104763.db2.gz	USGRHACKKQCQFJ-MANSERQUSA-N	1	0	366.465	1.353	20	30		FDEDRO
CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	ZINC000423523817	815112965	/nfs/dbraw/zinc/11/29/65/815112965.db2.gz	ISMLLXMJZBYUGU-IRXDYDNUSA-N	1	0	356.470	1.728	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1CC(C)C)C2	ZINC001112532691	807479226	/nfs/dbraw/zinc/47/92/26/807479226.db2.gz	QPAYNOCBKXXGKW-IIMDRIAPSA-N	1	0	359.514	1.636	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1c1ccccc1	ZINC001211697110	807543236	/nfs/dbraw/zinc/54/32/36/807543236.db2.gz	UUOANURHHSRETP-ZWKOTPCHSA-N	1	0	354.458	1.614	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)CC1	ZINC000981113784	807552726	/nfs/dbraw/zinc/55/27/26/807552726.db2.gz	KEXAUIPCYNTLEC-ABHMUUKNSA-N	1	0	371.525	1.779	20	30		FDEDRO
N#Cc1cccc([C@H]2CN(C(=O)C(=O)N3CCC[C@@H](CC[NH3+])C3)CCO2)c1	ZINC000423549354	815128424	/nfs/dbraw/zinc/12/84/24/815128424.db2.gz	DDCWNZNRYOGWEH-MAUKXSAKSA-N	1	0	370.453	1.046	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1	ZINC000981111660	807569501	/nfs/dbraw/zinc/56/95/01/807569501.db2.gz	WNRSYXXDYNTISE-LXZKKBNFSA-N	1	0	357.458	1.385	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)C2CC2)cc1	ZINC000423556619	815133163	/nfs/dbraw/zinc/13/31/63/815133163.db2.gz	BRUJTTYBJCRXKT-WMZOPIPTSA-N	1	0	352.438	1.260	20	30		FDEDRO
C[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)CC1	ZINC000981175616	807650232	/nfs/dbraw/zinc/65/02/32/807650232.db2.gz	QJDZJCXGJCUXMQ-DZGCQCFKSA-N	1	0	357.458	1.243	20	30		FDEDRO
CC(C)C[C@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC#N)C1	ZINC001211698533	807794551	/nfs/dbraw/zinc/79/45/51/807794551.db2.gz	SVMCMSLMIVHLJA-YTQUADARSA-N	1	0	370.497	1.893	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN([C@H]2CCOC2)CC1)C(C)C	ZINC000663668631	808406001	/nfs/dbraw/zinc/40/60/01/808406001.db2.gz	PWNMCUVSNBGQFO-OALUTQOASA-N	1	0	364.534	1.801	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1)C(C)C	ZINC000663669599	808421929	/nfs/dbraw/zinc/42/19/29/808421929.db2.gz	ZILCCRXILWORKB-FGTMMUONSA-N	1	0	362.518	1.995	20	30		FDEDRO
CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCO[C@H]3c3nccn3C)C2)C1	ZINC000981820770	808556133	/nfs/dbraw/zinc/55/61/33/808556133.db2.gz	IUMRHHZENZGZGE-QZTJIDSGSA-N	1	0	370.497	1.836	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCOC2(CC[NH+](CCCO)CC2)C1	ZINC000949095601	808560102	/nfs/dbraw/zinc/56/01/02/808560102.db2.gz	RUFYEOAGIWYHFA-SJORKVTESA-N	1	0	352.475	1.043	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cccc(C(=O)NC)c1	ZINC001028146407	808684672	/nfs/dbraw/zinc/68/46/72/808684672.db2.gz	FPCXLKOCTFFONA-OTWHNJEPSA-N	1	0	371.481	1.718	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)N1CCC[N@@H+]([C@H](C)CO)CC1	ZINC000504429035	815240193	/nfs/dbraw/zinc/24/01/93/815240193.db2.gz	ITMLKYWMWALJQZ-MRXNPFEDSA-N	1	0	359.470	1.659	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000418605192	809023834	/nfs/dbraw/zinc/02/38/34/809023834.db2.gz	AGSKPTOXYVWKSQ-OAHLLOKOSA-N	1	0	374.407	1.856	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)n1	ZINC000279491327	809024890	/nfs/dbraw/zinc/02/48/90/809024890.db2.gz	OSDGITKDJBECMB-UHFFFAOYSA-N	1	0	367.453	1.565	20	30		FDEDRO
COC[C@@]1(CNC(=O)N(C)CCOCc2ccc(C#N)cc2)CCC[NH2+]1	ZINC000418648246	809102116	/nfs/dbraw/zinc/10/21/16/809102116.db2.gz	ZAYAFJQJTXKYJG-IBGZPJMESA-N	1	0	360.458	1.485	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000437707847	809157295	/nfs/dbraw/zinc/15/72/95/809157295.db2.gz	WEXSXBNHRRMBHP-MAUKXSAKSA-N	1	0	366.506	1.210	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CCN1Cc1ccccc1	ZINC000418750346	809183625	/nfs/dbraw/zinc/18/36/25/809183625.db2.gz	NYOVUDFRWBZLEK-RBUKOAKNSA-N	1	0	355.486	1.938	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)N1CCN(C2CC2)C(=O)C1	ZINC000261656535	809217670	/nfs/dbraw/zinc/21/76/70/809217670.db2.gz	FPPWLSZBEOAVFV-CGTJXYLNSA-N	1	0	360.502	1.606	20	30		FDEDRO
C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000509754354	809432367	/nfs/dbraw/zinc/43/23/67/809432367.db2.gz	GCWRGLNXRVABHF-JTQLQIEISA-N	1	0	372.347	1.504	20	30		FDEDRO
COCCC[N@@H+]1CCCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1	ZINC000366386926	809543965	/nfs/dbraw/zinc/54/39/65/809543965.db2.gz	KBAWSGHEUGJLNH-LJQANCHMSA-N	1	0	354.454	1.811	20	30		FDEDRO
C=CC[C@H](CC)NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1	ZINC000419136262	809602633	/nfs/dbraw/zinc/60/26/33/809602633.db2.gz	NDWLCMSSTAKOLT-GRDNDAEWSA-N	1	0	365.424	1.997	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000893748673	809700760	/nfs/dbraw/zinc/70/07/60/809700760.db2.gz	FKFMQSIPQUOBIN-KRWDZBQOSA-N	1	0	354.454	1.729	20	30		FDEDRO
C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCO[C@](C)(C#N)C2)CC1	ZINC000893782088	809733113	/nfs/dbraw/zinc/73/31/13/809733113.db2.gz	BPMFDBYHJZRBQB-DNVCBOLYSA-N	1	0	357.458	1.931	20	30		FDEDRO
C[C@H](CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC#N)C1)C1CC1	ZINC001211732529	809796984	/nfs/dbraw/zinc/79/69/84/809796984.db2.gz	MMJJFCPDQAJOQY-AYOQOUSVSA-N	1	0	368.481	1.647	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2	ZINC000424165133	815321704	/nfs/dbraw/zinc/32/17/04/815321704.db2.gz	YEICQFRSJIKZCN-IKGGRYGDSA-N	1	0	358.486	1.872	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCN(C(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)[C@@H]2C1	ZINC000893957647	809834212	/nfs/dbraw/zinc/83/42/12/809834212.db2.gz	PWHYYSAURJHKKM-FCCDEINASA-N	1	0	369.469	1.989	20	30		FDEDRO
COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@H](C)C#N)c1	ZINC000410876013	809942402	/nfs/dbraw/zinc/94/24/02/809942402.db2.gz	FEROAXZQUIFGQK-OAHLLOKOSA-N	1	0	360.458	1.203	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)C[C@H]1c1ccccc1	ZINC001211744094	809957675	/nfs/dbraw/zinc/95/76/75/809957675.db2.gz	SBDHIJHTUDSHMD-YESZJQIVSA-N	1	0	355.438	1.200	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2COCCO2)C1	ZINC001087452725	809972227	/nfs/dbraw/zinc/97/22/27/809972227.db2.gz	ILTAOYYYQGHCGB-QRVBRYPASA-N	1	0	360.429	1.539	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cn[nH]c(=O)c2)C1	ZINC001087456479	810111351	/nfs/dbraw/zinc/11/13/51/810111351.db2.gz	ZQPNDSXABVPHIR-QZTJIDSGSA-N	1	0	368.412	1.933	20	30		FDEDRO
CCN(CCC#N)C(=O)CN1C[C@@H](NC(=O)C2CCCCC2)[C@H](OC)C1	ZINC001211787168	810204300	/nfs/dbraw/zinc/20/43/00/810204300.db2.gz	IABXFCBFNFWJOO-IAGOWNOFSA-N	1	0	364.490	1.144	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21	ZINC000249139133	810226960	/nfs/dbraw/zinc/22/69/60/810226960.db2.gz	FHXAIFPMZPZUTC-HLLBOEOZSA-N	1	0	370.453	1.859	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)NC1CCN(C(C)=O)CC1	ZINC000261721972	810320217	/nfs/dbraw/zinc/32/02/17/810320217.db2.gz	KUMDRFQDYVASCK-KSZLIROESA-N	1	0	362.518	1.900	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)c1ccncc1	ZINC000785395750	815363131	/nfs/dbraw/zinc/36/31/31/815363131.db2.gz	IARMOSAPBQPHMW-ZWKOTPCHSA-N	1	0	374.485	1.288	20	30		FDEDRO
C=CCn1c(C(=O)NC(CC)CC)nnc1N1CC[NH+](CC2CC2)CC1	ZINC000508817669	810479691	/nfs/dbraw/zinc/47/96/91/810479691.db2.gz	OZCJSGIIZSVKSJ-UHFFFAOYSA-N	1	0	360.506	1.915	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@](CC)(C(=O)OC)c1ccccc1	ZINC000419353261	810600867	/nfs/dbraw/zinc/60/08/67/810600867.db2.gz	LELZDSQRASJXGZ-AUUYWEPGSA-N	1	0	361.442	1.497	20	30		FDEDRO
C=CCN1CC[C@@H](N2CC[C@H](c3ccc(F)cc3)[C@H](NC(C)=O)C2)C1=O	ZINC001087461085	810667038	/nfs/dbraw/zinc/66/70/38/810667038.db2.gz	QQBWMYUBYZEEPW-GUDVDZBRSA-N	1	0	359.445	1.907	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC000937323472	811181248	/nfs/dbraw/zinc/18/12/48/811181248.db2.gz	NCVVZXKNNVFLKX-XYJFISCASA-N	1	0	371.485	1.728	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)nn1	ZINC000424735155	815428308	/nfs/dbraw/zinc/42/83/08/815428308.db2.gz	VGIBUPYSWVBQQR-QGZVFWFLSA-N	1	0	355.442	1.003	20	30		FDEDRO
[NH2+]=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)N1CCN(c2ncccn2)CC1	ZINC000261704990	811301313	/nfs/dbraw/zinc/30/13/13/811301313.db2.gz	UKDDBCJMDXDVFZ-BZUAXINKSA-N	1	0	356.474	1.261	20	30		FDEDRO
C[NH+]=C(NC[C@@]1(O)CCc2ccccc21)N1CCO[C@H](c2cnn(C)c2)C1	ZINC000261768548	811316561	/nfs/dbraw/zinc/31/65/61/811316561.db2.gz	NUGVKFHLCUQVGI-ICSRJNTNSA-N	1	0	369.469	1.203	20	30		FDEDRO
C[NH+]=C(NCCn1cnc2ccccc21)N1CCO[C@H](c2cnn(C)c2)C1	ZINC000261839930	811330861	/nfs/dbraw/zinc/33/08/61/811330861.db2.gz	WMMPHLFJVOYSDA-SFHVURJKSA-N	1	0	367.457	1.419	20	30		FDEDRO
C[NH+]=C(NCc1ccc(F)cc1F)N[C@H]1CCc2nc(COC)nn2C1	ZINC000261962419	811354749	/nfs/dbraw/zinc/35/47/49/811354749.db2.gz	KQDVJGHOSPRIAX-ZDUSSCGKSA-N	1	0	364.400	1.383	20	30		FDEDRO
C[NH+]=C(NCc1nnc(C)n1C)N(C)Cc1cnn(-c2ccccc2)c1	ZINC000261981321	811360363	/nfs/dbraw/zinc/36/03/63/811360363.db2.gz	OXQPSLNPECIDSE-UHFFFAOYSA-N	1	0	352.446	1.517	20	30		FDEDRO
Cc1ccccc1[C@@H]1CCN(C(NCC(=O)N(C)C)=[NH+]C2CCOCC2)C1	ZINC000262285662	811432675	/nfs/dbraw/zinc/43/26/75/811432675.db2.gz	KCOAZWQMVPZGKF-QGZVFWFLSA-N	1	0	372.513	1.997	20	30		FDEDRO
C=CC[NH+]=C(NCC(=O)N(C)C)N1CCN(C(C)=O)C2(CCCCC2)C1	ZINC000262295019	811434976	/nfs/dbraw/zinc/43/49/76/811434976.db2.gz	MEXNWKJXMHWLFX-UHFFFAOYSA-N	1	0	363.506	1.073	20	30		FDEDRO
[NH2+]=C(NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)N1CCOCC1	ZINC000262329748	811443377	/nfs/dbraw/zinc/44/33/77/811443377.db2.gz	UVGCGHARZGVOSR-UHFFFAOYSA-N	1	0	371.441	1.203	20	30		FDEDRO
C[NH+]=C(NCc1ccc(N2CCCC2)nc1)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000262489949	811477010	/nfs/dbraw/zinc/47/70/10/811477010.db2.gz	UNRVZLIIKRIGDA-QGZVFWFLSA-N	1	0	367.501	1.980	20	30		FDEDRO
O=[N+]([O-])c1ccc(CNC(=[NH+]C[C@H]2CCOC2)N2CCC(O)CC2)cc1	ZINC000262514108	811481253	/nfs/dbraw/zinc/48/12/53/811481253.db2.gz	CGYFJROKACRCGV-OAHLLOKOSA-N	1	0	362.430	1.534	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3CCC)C2)CC1	ZINC000982861850	811740210	/nfs/dbraw/zinc/74/02/10/811740210.db2.gz	ATKKRDPCMNLSBN-QXAKKESOSA-N	1	0	359.514	1.733	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)CNc3ccc(C#N)cc3)CC2)C1=O	ZINC000329152397	811868757	/nfs/dbraw/zinc/86/87/57/811868757.db2.gz	BGDDSFCJAXRZLL-KRWDZBQOSA-N	1	0	355.442	1.622	20	30		FDEDRO
C=C(C)[C@@H](NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)c1ccc(F)c(F)c1	ZINC000419673459	812084676	/nfs/dbraw/zinc/08/46/76/812084676.db2.gz	HKQGBTSUPSYJJL-XJKSGUPXSA-N	1	0	367.396	1.274	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NCC1(C)CC[NH2+]CC1	ZINC000420097226	813451018	/nfs/dbraw/zinc/45/10/18/813451018.db2.gz	BXCZKQVWFFTPKT-UHFFFAOYSA-N	1	0	359.470	1.716	20	30		FDEDRO
C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	ZINC000420105797	813461428	/nfs/dbraw/zinc/46/14/28/813461428.db2.gz	SXJTYNSMZUKVKY-LAVFITLUSA-N	1	0	354.454	1.399	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000501691037	813601330	/nfs/dbraw/zinc/60/13/30/813601330.db2.gz	SNODFLBIEORMGI-MJGOQNOKSA-N	1	0	373.497	1.674	20	30		FDEDRO
CC(C)(CC#N)CNC(=O)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1	ZINC000421545199	814209757	/nfs/dbraw/zinc/20/97/57/814209757.db2.gz	ZYRCJOYRWWSJOD-QGZVFWFLSA-N	1	0	356.470	1.996	20	30		FDEDRO
Cc1oc(NC(=O)CN2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)c(C#N)c1C	ZINC000367111089	814328610	/nfs/dbraw/zinc/32/86/10/814328610.db2.gz	ROQBKNUOPRAPGS-KRWDZBQOSA-N	1	0	373.501	1.666	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000422091538	814400096	/nfs/dbraw/zinc/40/00/96/814400096.db2.gz	JOZKQWHDUJMUGP-ZWKOTPCHSA-N	1	0	355.482	1.891	20	30		FDEDRO
COC[C@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000272049895	814557229	/nfs/dbraw/zinc/55/72/29/814557229.db2.gz	ZGXMBABQSPHOOM-LPHOPBHVSA-N	1	0	374.460	1.503	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](OCC)C1	ZINC000983132593	814800730	/nfs/dbraw/zinc/80/07/30/814800730.db2.gz	KBPDKRXVLJAASD-BZUAXINKSA-N	1	0	351.491	1.130	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CS1	ZINC000422510501	814825615	/nfs/dbraw/zinc/82/56/15/814825615.db2.gz	RJWOQJQUMGWWBW-YOEHRIQHSA-N	1	0	374.510	1.459	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(N2CCc3ccccc32)CC1	ZINC000503414914	814827616	/nfs/dbraw/zinc/82/76/16/814827616.db2.gz	GQEXMWWHAVIKCY-HNNXBMFYSA-N	1	0	356.470	1.914	20	30		FDEDRO
C=C(Br)CN1CC[C@@H](CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1	ZINC001028800749	815672519	/nfs/dbraw/zinc/67/25/19/815672519.db2.gz	DVKIBLAJBAXVBE-RWMBFGLXSA-N	1	0	358.280	1.057	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3CN(Cc4cc5n(n4)CCC5)C[C@H]32)c[nH]1	ZINC001075709993	815775704	/nfs/dbraw/zinc/77/57/04/815775704.db2.gz	VVYSOYPAWRVJQK-SCLBCKFNSA-N	1	0	350.426	1.376	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNc2ncc3c(c2C#N)CCC3)c1	ZINC000425230399	815824393	/nfs/dbraw/zinc/82/43/93/815824393.db2.gz	SQENIAOPPKXFLV-UHFFFAOYSA-N	1	0	363.465	2.345	20	30		FDEDRO
COc1cccc([C@@H]2[C@@H]([NH2+]C[C@H](O)CN(C)CCC#N)CCN2C2CC2)c1	ZINC000514788802	815979445	/nfs/dbraw/zinc/97/94/45/815979445.db2.gz	YYKMXIACEFRUOT-SESVDKBCSA-N	1	0	372.513	1.769	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(F)cn4)[C@@H]3C2)C1=O	ZINC001075716665	816010046	/nfs/dbraw/zinc/01/00/46/816010046.db2.gz	PDSRDOVLQKTUDR-IAOVAPTHSA-N	1	0	358.417	1.154	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[NH2+]C1CCN(C(=O)COC)CC1	ZINC000514855757	816014228	/nfs/dbraw/zinc/01/42/28/816014228.db2.gz	BDAKXRBGSQSWQI-SFHVURJKSA-N	1	0	362.470	1.382	20	30		FDEDRO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1	ZINC000425384291	816053864	/nfs/dbraw/zinc/05/38/64/816053864.db2.gz	LSKKPPZQEJTCSE-RDJZCZTQSA-N	1	0	356.470	1.878	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc([C@H]2CNC(=O)C2)c1	ZINC000435511663	816063319	/nfs/dbraw/zinc/06/33/19/816063319.db2.gz	PIBXWVNIXKDWNF-MRXNPFEDSA-N	1	0	357.458	1.989	20	30		FDEDRO
CCCn1c(N)c(C(=O)CN(C)[C@@H](C)c2cccc(C#N)c2)c(=O)[nH]c1=O	ZINC000425533151	816467529	/nfs/dbraw/zinc/46/75/29/816467529.db2.gz	KMHIPKBUKQQESI-LBPRGKRZSA-N	1	0	369.425	1.688	20	30		FDEDRO
C=CC[N@H+]([C@H](C)c1cccc(-n2cnnn2)c1)[C@@H](C)C(=O)NC(=O)NCC	ZINC000436396422	816477639	/nfs/dbraw/zinc/47/76/39/816477639.db2.gz	XKTZBQPRAQGIQW-KGLIPLIRSA-N	1	0	371.445	1.446	20	30		FDEDRO
CC(=O)N1CC(C(=O)N2CC[C@H]3CN(Cc4ccc(F)c(C#N)c4)C[C@H]32)C1	ZINC001075733356	816870111	/nfs/dbraw/zinc/87/01/11/816870111.db2.gz	GPCRZPVIVHCXTL-HNAYVOBHSA-N	1	0	370.428	1.208	20	30		FDEDRO
CC(=O)N1CC(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1	ZINC001075734149	816917929	/nfs/dbraw/zinc/91/79/29/816917929.db2.gz	MCYDNPLVZCBOFL-PKOBYXMFSA-N	1	0	352.438	1.069	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)ccc1OCC[NH+](C)C	ZINC000425810694	817115932	/nfs/dbraw/zinc/11/59/32/817115932.db2.gz	IVABILNTHCCIDC-UONOGXRCSA-N	1	0	374.441	1.383	20	30		FDEDRO
COc1ccnc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1	ZINC000425849481	817225370	/nfs/dbraw/zinc/22/53/70/817225370.db2.gz	VDQNGNZLYMQAOI-UHFFFAOYSA-N	1	0	368.441	1.630	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000425891382	817329838	/nfs/dbraw/zinc/32/98/38/817329838.db2.gz	OZQBZLLDPWPXAF-OVWQWFNUSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1	ZINC000425891393	817330530	/nfs/dbraw/zinc/33/05/30/817330530.db2.gz	PAKBJPJIFUMHKZ-KANFNMMFSA-N	1	0	371.481	1.473	20	30		FDEDRO
CCc1nc(CN2C[C@@H]3C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C[C@@H]3C2)no1	ZINC000366690923	817528400	/nfs/dbraw/zinc/52/84/00/817528400.db2.gz	BFWGOJBAYONJJK-KHYOSLBOSA-N	1	0	374.489	1.050	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c([N+](=O)[O-])c1	ZINC000517942436	817644123	/nfs/dbraw/zinc/64/41/23/817644123.db2.gz	JDYJNLQAJCWLTR-INIZCTEOSA-N	1	0	358.398	1.537	20	30		FDEDRO
N#Cc1cccc(NC(=O)CC[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1	ZINC000426139182	817696597	/nfs/dbraw/zinc/69/65/97/817696597.db2.gz	NAHPCELYOMVHAA-ZDUSSCGKSA-N	1	0	368.359	1.887	20	30		FDEDRO
COCC[N@@H+]1CCCN(C(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)CC1	ZINC000506494366	817872376	/nfs/dbraw/zinc/87/23/76/817872376.db2.gz	KWBQWRHEYZTRMD-UHFFFAOYSA-N	1	0	367.453	1.847	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCC[NH2+]C(C)(C)C)cc1	ZINC000439557809	818005360	/nfs/dbraw/zinc/00/53/60/818005360.db2.gz	PFIQVHOLFJWLRX-UHFFFAOYSA-N	1	0	361.446	1.437	20	30		FDEDRO
N#CCNC(=O)CNC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000894821764	818509438	/nfs/dbraw/zinc/50/94/38/818509438.db2.gz	ZUXFQKKJPUFZAJ-FGTMMUONSA-N	1	0	369.469	1.226	20	30		FDEDRO
C[C@@H]1[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)CC[N@@H+]1C	ZINC000928436624	818569890	/nfs/dbraw/zinc/56/98/90/818569890.db2.gz	VCMCVNBPHDIUMV-QMTHXVAHSA-N	1	0	352.232	1.908	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccn(C)c(=O)c2)C1	ZINC000983698945	818607515	/nfs/dbraw/zinc/60/75/15/818607515.db2.gz	TWMXWACRBAUGSI-TVFCKZIOSA-N	1	0	359.470	1.351	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]Cc2nc(CC)no2)CC1	ZINC001029146213	818934116	/nfs/dbraw/zinc/93/41/16/818934116.db2.gz	NKWIYANDNVUSHR-BMFZPTHFSA-N	1	0	362.474	1.940	20	30		FDEDRO
CC#CCCNC(=O)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1	ZINC000440720343	819108040	/nfs/dbraw/zinc/10/80/40/819108040.db2.gz	UOYXTFJKCHYIAU-UHFFFAOYSA-N	1	0	356.470	1.685	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@@H+](CCC)[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000729484122	819170903	/nfs/dbraw/zinc/17/09/03/819170903.db2.gz	POEDLDTXGDYVDU-AWEZNQCLSA-N	1	0	368.478	1.720	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)Nc1ccon1	ZINC001167991047	819407647	/nfs/dbraw/zinc/40/76/47/819407647.db2.gz	FVMPKFJLPDXLBW-BBRMVZONSA-N	1	0	350.419	1.080	20	30		FDEDRO
O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCN(C2CC2)C(=O)C1	ZINC000328652096	819522191	/nfs/dbraw/zinc/52/21/91/819522191.db2.gz	BTZFUMQPQFXDQX-GOSISDBHSA-N	1	0	356.470	1.872	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC(=O)N1C	ZINC000328706093	819538032	/nfs/dbraw/zinc/53/80/32/819538032.db2.gz	LJBVDTRJFRAJDX-MRXNPFEDSA-N	1	0	366.506	1.346	20	30		FDEDRO
O=C(NCCN1CCN(C(=O)C2CCC2)CC1)C1CC[NH+](C2CC2)CC1	ZINC000328717706	819540434	/nfs/dbraw/zinc/54/04/34/819540434.db2.gz	FKWBJMUTXIJEHK-UHFFFAOYSA-N	1	0	362.518	1.762	20	30		FDEDRO
C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C)CC1	ZINC000328819072	819554122	/nfs/dbraw/zinc/55/41/22/819554122.db2.gz	PLEGJMYTUDXCMH-IAGOWNOFSA-N	1	0	365.522	1.013	20	30		FDEDRO
COC[C@H]1CCN(C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)C1	ZINC000328787723	819556766	/nfs/dbraw/zinc/55/67/66/819556766.db2.gz	JQFUJOSANGYQFD-KRWDZBQOSA-N	1	0	374.485	1.457	20	30		FDEDRO
C[C@@H]1CN(C[C@@H]2CCCN2C(=O)NCc2nnc3n2CCC3)C[C@@H](C)O1	ZINC000328789904	819557018	/nfs/dbraw/zinc/55/70/18/819557018.db2.gz	QATDNWBEPKBTDE-KFWWJZLASA-N	1	0	362.478	1.212	20	30		FDEDRO
Cn1ccnc1[C@@H]1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1	ZINC000328795272	819558007	/nfs/dbraw/zinc/55/80/07/819558007.db2.gz	TXWSEBVSQIFXKL-MRXNPFEDSA-N	1	0	361.490	1.768	20	30		FDEDRO
Cn1nccc1[C@H]1[C@@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC(=O)N1C	ZINC000328837033	819562027	/nfs/dbraw/zinc/56/20/27/819562027.db2.gz	NBLNFERDJUCBLR-SSDWHGLXSA-N	1	0	359.474	1.911	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)NC2CC[NH+](C(C)C)CC2)C1	ZINC000328972453	819602863	/nfs/dbraw/zinc/60/28/63/819602863.db2.gz	PAPZTWOYGDCJJK-IRXDYDNUSA-N	1	0	366.506	1.485	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](C[C@@H](O)Cc3ccc(F)cc3)C[C@H]21	ZINC001075780277	819621003	/nfs/dbraw/zinc/62/10/03/819621003.db2.gz	HOZPNKKMAQXIIV-YSIASYRMSA-N	1	0	356.441	1.675	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)[C@H]1CCCN(c2cccnn2)C1	ZINC000330642737	819627196	/nfs/dbraw/zinc/62/71/96/819627196.db2.gz	DQBQPUJXGDGDRB-JTDSTZFVSA-N	1	0	358.490	1.820	20	30		FDEDRO
Cc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCC([N@H+](C)CCO)CC1	ZINC000330707889	819636669	/nfs/dbraw/zinc/63/66/69/819636669.db2.gz	NDQMVYVDPQOYAU-UHFFFAOYSA-N	1	0	362.474	1.631	20	30		FDEDRO
CCN(C)C(=O)[C@@H](C)NC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1	ZINC000330990983	819660550	/nfs/dbraw/zinc/66/05/50/819660550.db2.gz	AUOGUNRLJVKLQT-MRXNPFEDSA-N	1	0	367.538	1.117	20	30		FDEDRO
C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC[N@@H+]1C	ZINC000331280555	819673230	/nfs/dbraw/zinc/67/32/30/819673230.db2.gz	FIAFJTVGWXYQSL-WMLDXEAASA-N	1	0	374.485	1.846	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H](O)COC)C2)CC1	ZINC001112160153	820435532	/nfs/dbraw/zinc/43/55/32/820435532.db2.gz	VFFHXILCSJCCOF-RRFJBIMHSA-N	1	0	364.408	1.719	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C2)C1	ZINC001112162032	820649434	/nfs/dbraw/zinc/64/94/34/820649434.db2.gz	GMWMDGAEMMVLTB-YNEHKIRRSA-N	1	0	361.408	1.798	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1	ZINC000520780452	820685540	/nfs/dbraw/zinc/68/55/40/820685540.db2.gz	AHYQLGMKSFHYIB-INIZCTEOSA-N	1	0	370.453	1.982	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)c2cc(C#N)c[nH]2)C1	ZINC000984078092	820734136	/nfs/dbraw/zinc/73/41/36/820734136.db2.gz	YRQWELPPGMNGPT-INMHGKMJSA-N	1	0	371.485	1.585	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1	ZINC000442168862	821074017	/nfs/dbraw/zinc/07/40/17/821074017.db2.gz	KEDARACNJZHMOB-XJKSGUPXSA-N	1	0	358.442	1.140	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccnn3CC)[C@H]2CC)C1=O	ZINC001087553354	821417454	/nfs/dbraw/zinc/41/74/54/821417454.db2.gz	BSYVGFITCFQCSQ-ZMSDIMECSA-N	1	0	359.474	1.273	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1	ZINC000443246810	821424516	/nfs/dbraw/zinc/42/45/16/821424516.db2.gz	PLNFQYDCQXTSNC-IBGZPJMESA-N	1	0	371.462	1.474	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3ccncc3C)[C@H]2CC)C1=O	ZINC001087572365	821569063	/nfs/dbraw/zinc/56/90/63/821569063.db2.gz	NQRLUNQIDPGUNE-OTWHNJEPSA-N	1	0	370.497	1.689	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC(=O)N(CC)C2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087592068	821633574	/nfs/dbraw/zinc/63/35/74/821633574.db2.gz	AARVKWVUQFCXEW-CEXWTWQISA-N	1	0	368.481	1.896	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cnc[nH]c2=O)CC[N@@H+]1CC#Cc1ccc(F)cc1	ZINC001087617110	821761798	/nfs/dbraw/zinc/76/17/98/821761798.db2.gz	HWOSSEPPSXNSJH-ZWKOTPCHSA-N	1	0	368.412	1.956	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCNC(=O)CC2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087673054	821984076	/nfs/dbraw/zinc/98/40/76/821984076.db2.gz	UCSGBAFQYVRFHB-CEXWTWQISA-N	1	0	368.481	1.944	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)[C@@H]2CC)cc1	ZINC001087682251	822014544	/nfs/dbraw/zinc/01/45/44/822014544.db2.gz	NPZKQVSPBMRPJN-ZWKOTPCHSA-N	1	0	367.449	1.400	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087686624	822036867	/nfs/dbraw/zinc/03/68/67/822036867.db2.gz	QOBMDNFSXXAHEE-OTWHNJEPSA-N	1	0	353.466	1.628	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC000984262554	822052539	/nfs/dbraw/zinc/05/25/39/822052539.db2.gz	VQJVOBWUSAQDRR-KBAYOESNSA-N	1	0	368.481	1.466	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2C)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087698088	822096693	/nfs/dbraw/zinc/09/66/93/822096693.db2.gz	HHGYLYJGHZFYJT-RCCFBDPRSA-N	1	0	354.454	1.648	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](C[C@H]3CCNC(=O)CC3)[C@@H]2CC)c1	ZINC001087719049	822186529	/nfs/dbraw/zinc/18/65/29/822186529.db2.gz	XNSAAARUQIBDQI-NZSAHSFTSA-N	1	0	368.481	1.562	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1	ZINC000984312928	822343986	/nfs/dbraw/zinc/34/39/86/822343986.db2.gz	MBTDBWKPKNMTCZ-QXAKKESOSA-N	1	0	368.481	1.743	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087759654	822375255	/nfs/dbraw/zinc/37/52/55/822375255.db2.gz	WZZRSQJHFPDCHM-GBESFXJTSA-N	1	0	353.466	1.676	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCc2ccncc2)C[C@H]1C(F)(F)F	ZINC001112167855	822458851	/nfs/dbraw/zinc/45/88/51/822458851.db2.gz	JILSIYCNEPGPNU-FVQBIDKESA-N	1	0	369.387	1.989	20	30		FDEDRO
C=CCn1cc(CNC(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)nn1	ZINC000895446962	822604743	/nfs/dbraw/zinc/60/47/43/822604743.db2.gz	VIWOZVPPEDSRRY-AEFFLSMTSA-N	1	0	354.458	1.609	20	30		FDEDRO
CCN(CC)C(=O)CN1CCCN(C(=O)c2cnn(CCC#N)c2C)CC1	ZINC000895629656	822680006	/nfs/dbraw/zinc/68/00/06/822680006.db2.gz	DHONOAQBGUNPQD-UHFFFAOYSA-N	1	0	374.489	1.122	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4COCCO4)C[C@@H]3C2)c1	ZINC001087892453	822738696	/nfs/dbraw/zinc/73/86/96/822738696.db2.gz	ARPJSARBEQHTPI-CEXWTWQISA-N	1	0	355.438	1.254	20	30		FDEDRO
C[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC001029841740	828497336	/nfs/dbraw/zinc/49/73/36/828497336.db2.gz	OQJXBJAFANDAFO-QRVBRYPASA-N	1	0	368.481	1.740	20	30		FDEDRO
N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4cc[nH]n4)C[C@@H]3C2)c1	ZINC001087917178	823826879	/nfs/dbraw/zinc/82/68/79/823826879.db2.gz	HLUGKCZLHGAHPC-WBVHZDCISA-N	1	0	367.428	1.943	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cc[nH]c4C)C[C@@H]3C2)C1=O	ZINC001087926725	823944536	/nfs/dbraw/zinc/94/45/36/823944536.db2.gz	VILUIZGHBUQJRB-SOLBZPMBSA-N	1	0	356.470	1.504	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)C3C[NH+](C4CCOCC4)C3)CC2)c(F)c1	ZINC000896047561	823962891	/nfs/dbraw/zinc/96/28/91/823962891.db2.gz	FRHCZCQBQQNSPE-UHFFFAOYSA-N	1	0	372.444	1.457	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CCOCC4)C[C@@H]3C2)c1	ZINC001087937745	824005021	/nfs/dbraw/zinc/00/50/21/824005021.db2.gz	PWFQRRLVUNDNMI-UXHICEINSA-N	1	0	368.481	1.171	20	30		FDEDRO
Cn1nccc1CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C1	ZINC001087938756	824017573	/nfs/dbraw/zinc/01/75/73/824017573.db2.gz	JRUZKUZJWWSJSI-CABCVRRESA-N	1	0	352.442	1.256	20	30		FDEDRO
Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]3C2)ncn1	ZINC001087938986	824018302	/nfs/dbraw/zinc/01/83/02/824018302.db2.gz	UWZBKIMVVPSRKX-CABCVRRESA-N	1	0	350.426	1.579	20	30		FDEDRO
Cn1cnc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)s4)CC[C@@H]3C2)n1	ZINC001087957264	824153771	/nfs/dbraw/zinc/15/37/71/824153771.db2.gz	HZWLOWGHUXSELK-OLZOCXBDSA-N	1	0	356.455	1.342	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccncc4C)C[C@@H]3C2)C1=O	ZINC001087959819	824189946	/nfs/dbraw/zinc/18/99/46/824189946.db2.gz	PMPXIUZJOKUIGO-ZIFCJYIRSA-N	1	0	368.481	1.571	20	30		FDEDRO
C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)C1	ZINC001087962460	824198959	/nfs/dbraw/zinc/19/89/59/824198959.db2.gz	RIWVSFQQVYPABC-UHOSZYNNSA-N	1	0	357.498	1.439	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CN(C)Cc2ncnn2CCC)C1	ZINC001029846266	828645974	/nfs/dbraw/zinc/64/59/74/828645974.db2.gz	DCMOUHUIWUWWJN-ZACQAIPSSA-N	1	0	361.490	1.560	20	30		FDEDRO
CC[N@@H+]1C[C@@H](C)N(CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)C[C@@H]1C	ZINC000329013110	824533644	/nfs/dbraw/zinc/53/36/44/824533644.db2.gz	FEEDRSMMTNYTCV-QWHCGFSZSA-N	1	0	358.442	1.915	20	30		FDEDRO
Cn1nccc1[C@H]1[C@@H](C(=O)NC2CC([NH+]3CCCCC3)C2)CC(=O)N1C	ZINC000329069119	824554656	/nfs/dbraw/zinc/55/46/56/824554656.db2.gz	MRTHAOIHUNAVCS-ZUBZBLCWSA-N	1	0	359.474	1.913	20	30		FDEDRO
Cc1noc([C@H](NC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C2CCOCC2)n1	ZINC000329085666	824568612	/nfs/dbraw/zinc/56/86/12/824568612.db2.gz	UIZFRSRGFSDEGN-SGIREYDYSA-N	1	0	363.462	1.975	20	30		FDEDRO
CN1CCOC[C@@H]1C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1	ZINC000329102492	824587515	/nfs/dbraw/zinc/58/75/15/824587515.db2.gz	CZKSJUISZBVQNR-QGZVFWFLSA-N	1	0	360.458	1.383	20	30		FDEDRO
Cc1nc(Cn2nnc(NC(=O)N3C[C@H]4CCC[N@H+]4C[C@H]3C)c2C)no1	ZINC000329142956	824625316	/nfs/dbraw/zinc/62/53/16/824625316.db2.gz	VIUBVQZEUCERAM-ZWNOBZJWSA-N	1	0	360.422	1.040	20	30		FDEDRO
CC(=O)N[C@H]1CCCN(C(=O)C[NH+]2CCC(Cn3cc(C)cn3)CC2)C1	ZINC000329192880	824661027	/nfs/dbraw/zinc/66/10/27/824661027.db2.gz	SZUNAYNEXRFQES-SFHVURJKSA-N	1	0	361.490	1.871	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)Cn3ncc4ccccc43)CC2)C1=O	ZINC000329198438	824661550	/nfs/dbraw/zinc/66/15/50/824661550.db2.gz	VQAAHYFCZQPHNO-KRWDZBQOSA-N	1	0	355.442	1.688	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)C[N@H+](C)C1CCC1	ZINC000984745964	824674569	/nfs/dbraw/zinc/67/45/69/824674569.db2.gz	PWDFBOCXPGKPPK-DOTOQJQBSA-N	1	0	357.458	1.480	20	30		FDEDRO
CN(CC1CC[NH+](C)CC1)C(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000329261199	824701286	/nfs/dbraw/zinc/70/12/86/824701286.db2.gz	ATTFOPKRBUXURU-KRWDZBQOSA-N	1	0	365.522	1.854	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1	ZINC000329261944	824701818	/nfs/dbraw/zinc/70/18/18/824701818.db2.gz	ZIVZFTPJGRVZOZ-WCXIOVBPSA-N	1	0	367.490	1.470	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CCn2ncc(C(N)=O)c2C1	ZINC000329391430	824768032	/nfs/dbraw/zinc/76/80/32/824768032.db2.gz	STFVHKOKKXKNNE-ZNMIVQPWSA-N	1	0	374.489	1.801	20	30		FDEDRO
C#CCN(C(=O)NCC1C[C@H]2CC[C@@H](C1)S2(=O)=O)C1CC[NH+](C)CC1	ZINC000923979332	824870759	/nfs/dbraw/zinc/87/07/59/824870759.db2.gz	QOQZOUAECJCHQG-ZXFUBFMLSA-N	1	0	367.515	1.081	20	30		FDEDRO
Cc1ccc(NC(=O)CC[NH+]2CCN(c3cccc(C#N)n3)CC2)nc1	ZINC000447294074	828705826	/nfs/dbraw/zinc/70/58/26/828705826.db2.gz	DDRSRKXYSCHWIB-UHFFFAOYSA-N	1	0	350.426	1.808	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)n3nnnc3C(C)(C)C)C[C@@H]2C1	ZINC001087989478	824928018	/nfs/dbraw/zinc/92/80/18/824928018.db2.gz	HELAITXYCDHMCJ-XHSDSOJGSA-N	1	0	360.506	1.888	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1	ZINC000984793928	824939341	/nfs/dbraw/zinc/93/93/41/824939341.db2.gz	YXLQMTJVIXMTQM-RRQGHBQHSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)CC[C@@H]2C1	ZINC001087992831	824956204	/nfs/dbraw/zinc/95/62/04/824956204.db2.gz	OOGSRMARJKGJPX-FGTMMUONSA-N	1	0	370.497	1.689	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCN(CC)C3=O)CC[C@@H]2C1	ZINC001087993068	824956882	/nfs/dbraw/zinc/95/68/82/824956882.db2.gz	YBSUYLMXOHMTAQ-AOIWGVFYSA-N	1	0	370.497	1.689	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ncnn2CC(C)C)C1	ZINC000984825931	825033154	/nfs/dbraw/zinc/03/31/54/825033154.db2.gz	JBENTNFGYBJXBZ-VQHPVUNQSA-N	1	0	361.490	1.510	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2csnc2OC)C1	ZINC000984826559	825033908	/nfs/dbraw/zinc/03/39/08/825033908.db2.gz	WKUVNQVCHOPHKI-NGFQHRJXSA-N	1	0	351.472	1.727	20	30		FDEDRO
CC(C)(C(N)=O)C(=O)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001088001538	825120666	/nfs/dbraw/zinc/12/06/66/825120666.db2.gz	PIQNOHQOUOXFFJ-MSOLQXFVSA-N	1	0	353.466	1.330	20	30		FDEDRO
CN(C)C(=O)CNC(NCC(=O)N(C)C)=[NH+][C@@H]1CC[C@@H]2CCCC[C@H]2C1	ZINC000262321520	825180485	/nfs/dbraw/zinc/18/04/85/825180485.db2.gz	SBGDDSFLDFSWKH-HRCADAONSA-N	1	0	365.522	1.057	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccsn4)C[C@@H]3C2)C1=O	ZINC001088008599	825199780	/nfs/dbraw/zinc/19/97/80/825199780.db2.gz	XESFLWPCSHPCFZ-YCPHGPKFSA-N	1	0	360.483	1.324	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3cn4c(n3)C[C@H](OC)CC4)C[C@@H]2C1	ZINC001088010520	825222706	/nfs/dbraw/zinc/22/27/06/825222706.db2.gz	XWKUAOYRASBEAU-IXDOHACOSA-N	1	0	358.486	1.814	20	30		FDEDRO
C=C(Br)CN1CC[C@@H]2CN(C(=O)[C@H]3CCC(=O)NC3)C[C@@H]2C1	ZINC001088021958	825342753	/nfs/dbraw/zinc/34/27/53/825342753.db2.gz	MVGYKLLUKLWBBA-MJBXVCDLSA-N	1	0	370.291	1.202	20	30		FDEDRO
COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cn[nH]n4)C[C@@H]3C2)cc1C#N	ZINC001088023310	825349842	/nfs/dbraw/zinc/34/98/42/825349842.db2.gz	XQRNBIJRYRJERK-ZBFHGGJFSA-N	1	0	366.425	1.279	20	30		FDEDRO
CCN1CCN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1=O	ZINC000329729338	825385536	/nfs/dbraw/zinc/38/55/36/825385536.db2.gz	CXFAVDVIUYHHBZ-UHFFFAOYSA-N	1	0	366.506	1.347	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccnc4c3CC(=O)N4)C[C@@H]2C1	ZINC001088027187	825396229	/nfs/dbraw/zinc/39/62/29/825396229.db2.gz	XHVXLAHFRQWXJJ-CABCVRRESA-N	1	0	354.454	1.936	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(C)c3C(F)(F)F)C[C@@H]2C1	ZINC001088025841	825401498	/nfs/dbraw/zinc/40/14/98/825401498.db2.gz	DKOPTZLPJUIDBY-OLZOCXBDSA-N	1	0	354.376	1.856	20	30		FDEDRO
O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)N1C[C@@H]2CC[C@H](O)[C@H]2C1	ZINC000329754611	825428879	/nfs/dbraw/zinc/42/88/79/825428879.db2.gz	KXMWLAYQCNJVJJ-BZSNNMDCSA-N	1	0	365.518	1.886	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3cc(=O)n(CC(C)C)[n-]3)C[C@@H]2C1	ZINC001088030619	825446506	/nfs/dbraw/zinc/44/65/06/825446506.db2.gz	YZISNYPEOMGUMN-SJORKVTESA-N	1	0	360.502	1.731	20	30		FDEDRO
Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3C[N@H+](C(C)C)C[C@@H]3C)C2)nn1	ZINC000329815748	825478482	/nfs/dbraw/zinc/47/84/82/825478482.db2.gz	OAHYIAYIOSBATH-BHYGNILZSA-N	1	0	360.506	1.986	20	30		FDEDRO
C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@@H]2C[C@H](F)CN2c2cccnn2)C1	ZINC000329907832	825538553	/nfs/dbraw/zinc/53/85/53/825538553.db2.gz	LFBXDAWBBXKRKD-PMPSAXMXSA-N	1	0	364.469	1.629	20	30		FDEDRO
CCN1CCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@H]1c1ncc[nH]1	ZINC000329929663	825548358	/nfs/dbraw/zinc/54/83/58/825548358.db2.gz	YZOWBVZXJVABAA-KRWDZBQOSA-N	1	0	362.522	1.918	20	30		FDEDRO
CN1CC[NH+](CC2CCN(C(=O)Nc3cccc4c3OCO4)CC2)CC1	ZINC000329938459	825552825	/nfs/dbraw/zinc/55/28/25/825552825.db2.gz	FBLQDMBFEODDMX-UHFFFAOYSA-N	1	0	360.458	1.920	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cc(F)c[nH]4)C[C@@H]3C2)C1=O	ZINC001088044203	825553992	/nfs/dbraw/zinc/55/39/92/825553992.db2.gz	HJUAPIQPZLWZSI-KEYYUXOJSA-N	1	0	360.433	1.335	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3nc(C)c4cccnc43)C[C@@H]2C1	ZINC001088049614	825595090	/nfs/dbraw/zinc/59/50/90/825595090.db2.gz	PUVOEYTWQYSFDF-SJORKVTESA-N	1	0	351.454	1.543	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nc(C)nn4C3)C[C@@H]2C1	ZINC001088050015	825596246	/nfs/dbraw/zinc/59/62/46/825596246.db2.gz	KWSNMWNXUUMPAV-KURKYZTESA-N	1	0	357.502	1.895	20	30		FDEDRO
Cc1nnccc1NC(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1	ZINC000330142946	825673251	/nfs/dbraw/zinc/67/32/51/825673251.db2.gz	YNXVMTSMZFMCON-MRXNPFEDSA-N	1	0	362.478	1.057	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N[C@@H]1CCn2ccnc2C1	ZINC000330202191	825730659	/nfs/dbraw/zinc/73/06/59/825730659.db2.gz	YYKDDERJGCWUMQ-ZACQAIPSSA-N	1	0	361.490	1.469	20	30		FDEDRO
Cc1n[nH]nc1C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)CC[C@@H]2C1	ZINC001088062755	825757519	/nfs/dbraw/zinc/75/75/19/825757519.db2.gz	WNMSKTZIJMCTGN-SJORKVTESA-N	1	0	350.426	1.579	20	30		FDEDRO
Cn1nccc1[C@H]1[C@H](C(=O)NC2CC[NH+](C)CC2)CCC(=O)N1C1CC1	ZINC000330244245	825764174	/nfs/dbraw/zinc/76/41/74/825764174.db2.gz	DBCVHKLIYIECLX-CRAIPNDOSA-N	1	0	359.474	1.913	20	30		FDEDRO
Cc1c([C@@H]2[C@H](C(=O)NC[C@@H](C)C[NH+]3CCCC3)CC(=O)N2C)cnn1C	ZINC000330252458	825767191	/nfs/dbraw/zinc/76/71/91/825767191.db2.gz	ACSJWKICGVDFFG-SIIHOXLZSA-N	1	0	361.490	1.936	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)CC2)o1	ZINC000281195967	825907781	/nfs/dbraw/zinc/90/77/81/825907781.db2.gz	MWGFIMAUSSKHGJ-YOEHRIQHSA-N	1	0	357.458	1.624	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCCN(C)C1=O	ZINC001029511467	825911874	/nfs/dbraw/zinc/91/18/74/825911874.db2.gz	MVLWJZBJUXVFDR-RZFLPCETSA-N	1	0	361.486	1.264	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCCN3C3CCCC3)C[C@@H]2C1	ZINC001088079294	826130824	/nfs/dbraw/zinc/13/08/24/826130824.db2.gz	WKOWCXCLLBFLFM-HBFSDRIKSA-N	1	0	361.530	1.986	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCCN3C3CCCC3)C[C@@H]2C1	ZINC001088079295	826130899	/nfs/dbraw/zinc/13/08/99/826130899.db2.gz	WKOWCXCLLBFLFM-WSTZPKSXSA-N	1	0	361.530	1.986	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4nnn(C)c4C3)C[C@@H]2C1	ZINC001088082717	826178710	/nfs/dbraw/zinc/17/87/10/826178710.db2.gz	HJMQUXLUSUTIQT-BBWFWOEESA-N	1	0	357.502	1.667	20	30		FDEDRO
C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1	ZINC000281833945	826265215	/nfs/dbraw/zinc/26/52/15/826265215.db2.gz	FIPVYBMEDQYAOF-UHFFFAOYSA-N	1	0	370.331	1.559	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)NC1CCN(C(=O)C2CC2)CC1	ZINC000262392885	826297194	/nfs/dbraw/zinc/29/71/94/826297194.db2.gz	MLKLXZPTRGPIBJ-BBWFWOEESA-N	1	0	362.518	1.756	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+](CCN4CCCC4=O)CC[C@@H]3C2)c1	ZINC001088099781	826395298	/nfs/dbraw/zinc/39/52/98/826395298.db2.gz	CLLGDYJURVTOQI-MJGOQNOKSA-N	1	0	366.465	1.079	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+](CC4CCOCC4)CC[C@@H]3C2)c1	ZINC001088100058	826396468	/nfs/dbraw/zinc/39/64/68/826396468.db2.gz	RHSUUJUAIMZKQQ-QUCCMNQESA-N	1	0	353.466	1.883	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOC)C2)cc1	ZINC001112176269	826419097	/nfs/dbraw/zinc/41/90/97/826419097.db2.gz	XHELWIIAVAZMQN-HZPDHXFCSA-N	1	0	370.371	1.938	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(N4CCOCC4)CCCC3)C[C@@H]2C1	ZINC001088126684	826531410	/nfs/dbraw/zinc/53/14/10/826531410.db2.gz	QVARXCGIWLWMJG-MOPGFXCFSA-N	1	0	359.514	1.435	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)NS(C)(=O)=O)C2	ZINC001112536718	826578181	/nfs/dbraw/zinc/57/81/81/826578181.db2.gz	VZKBITPFNGLOMI-ZOBUZTSGSA-N	1	0	357.520	1.109	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3nnn(C)c3C(F)(F)F)C[C@@H]2C1	ZINC001088134127	826590819	/nfs/dbraw/zinc/59/08/19/826590819.db2.gz	SRXHXKKNSXTNFR-NEPJUHHUSA-N	1	0	357.380	1.804	20	30		FDEDRO
O=C(c1cnon1)N1C[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)CC[C@@H]2C1	ZINC001088145485	826706305	/nfs/dbraw/zinc/70/63/05/826706305.db2.gz	HQDRBLLUYMNORE-CVEARBPZSA-N	1	0	354.385	1.654	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cc4ccco4)C[C@@H]3C2)C1=O	ZINC001088146748	826735480	/nfs/dbraw/zinc/73/54/80/826735480.db2.gz	RGQIHIBDSRZXNQ-SOLBZPMBSA-N	1	0	357.454	1.389	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(S(C)(=O)=O)CCC3)C[C@@H]2C1	ZINC001088156308	826899517	/nfs/dbraw/zinc/89/95/17/826899517.db2.gz	GUKXGSHTVOTIAK-CVEARBPZSA-N	1	0	354.516	1.700	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4oncc4C)C[C@@H]3C2)C1=O	ZINC001088158917	826909318	/nfs/dbraw/zinc/90/93/18/826909318.db2.gz	RULXMAWYRHHDSJ-PMPSAXMXSA-N	1	0	358.442	1.164	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)CC1	ZINC000928660972	827179416	/nfs/dbraw/zinc/17/94/16/827179416.db2.gz	VWRISDDIIGSOAY-IBGZPJMESA-N	1	0	365.474	1.226	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2ccnc(C#N)n2)CC[N@@H+]1C	ZINC001059515524	827184203	/nfs/dbraw/zinc/18/42/03/827184203.db2.gz	CAUMMFXLWUAJSX-MOTUXRJWSA-N	1	0	354.458	1.304	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cnnn4)cc3)C[C@@H]2C1	ZINC001088192516	827391220	/nfs/dbraw/zinc/39/12/20/827391220.db2.gz	GVIMVTJREAIEBG-SJORKVTESA-N	1	0	352.442	1.632	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C)nc4cc(C)nn43)C[C@@H]2C1	ZINC001088205103	827478657	/nfs/dbraw/zinc/47/86/57/827478657.db2.gz	DDKFNBNJCBXBJP-SJORKVTESA-N	1	0	351.454	1.763	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1	ZINC000666344126	833207968	/nfs/dbraw/zinc/20/79/68/833207968.db2.gz	AKCWMPSHVQIMNH-LJQANCHMSA-N	1	0	358.486	1.843	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1	ZINC000666344125	833208089	/nfs/dbraw/zinc/20/80/89/833208089.db2.gz	AKCWMPSHVQIMNH-IBGZPJMESA-N	1	0	358.486	1.843	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC2)C1	ZINC001088234567	827599212	/nfs/dbraw/zinc/59/92/12/827599212.db2.gz	WQBLTMYDXLDVNR-GUDVDZBRSA-N	1	0	370.497	1.866	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CO[C@@H]2CC[N@@H+](CC#CC)C2)CC1	ZINC001088238491	827652688	/nfs/dbraw/zinc/65/26/88/827652688.db2.gz	VTORFIVMJNMEQA-AQNXPRMDSA-N	1	0	360.498	1.930	20	30		FDEDRO
C=CCNC(=O)c1ccc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)nc1	ZINC000301870999	827677779	/nfs/dbraw/zinc/67/77/79/827677779.db2.gz	WPVVQYIZLQTGNG-DFNIBXOVSA-N	1	0	369.513	1.745	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+](C)C[C@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1	ZINC001029744162	827971280	/nfs/dbraw/zinc/97/12/80/827971280.db2.gz	FUBFCYWOUYOITN-MMOPVJDHSA-N	1	0	369.465	1.884	20	30		FDEDRO
C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1coc(C#N)c1	ZINC000866931227	827980749	/nfs/dbraw/zinc/98/07/49/827980749.db2.gz	XIFYPULSQYDPSL-KRWDZBQOSA-N	1	0	354.410	1.170	20	30		FDEDRO
C=C(C)C(=O)OCCNc1ccc(S(=O)(=O)NC2CC[NH2+]CC2)cc1	ZINC001168076033	828048225	/nfs/dbraw/zinc/04/82/25/828048225.db2.gz	BPCGESWKEYLODD-UHFFFAOYSA-N	1	0	367.471	1.248	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](CO)[C@@H]1CCCO1	ZINC000447913820	828935415	/nfs/dbraw/zinc/93/54/15/828935415.db2.gz	NNKHLPMDKFGWGW-ZOBUZTSGSA-N	1	0	361.442	1.460	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)n(CCC#N)n1	ZINC000527076927	828951107	/nfs/dbraw/zinc/95/11/07/828951107.db2.gz	LSHFCAZEUJKAST-UHFFFAOYSA-N	1	0	374.489	1.623	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1OCC[C@@H]1c1ccccc1	ZINC001168095751	829126460	/nfs/dbraw/zinc/12/64/60/829126460.db2.gz	ZASIEVUXMAOZMD-CGTJXYLNSA-N	1	0	359.470	1.346	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CCOCC(F)(F)C(F)F	ZINC001168100677	829198147	/nfs/dbraw/zinc/19/81/47/829198147.db2.gz	FYHKPEIQCQIFOL-STQMWFEESA-N	1	0	370.387	1.981	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]CCCNC(=O)[C@H]1CCO[C@H]1C(=C)C	ZINC001168101279	829226040	/nfs/dbraw/zinc/22/60/40/829226040.db2.gz	QATLNPPMSGALCU-WMZOPIPTSA-N	1	0	351.491	1.488	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]C[C@@H](O)COCC(F)(F)F	ZINC001168101109	829226088	/nfs/dbraw/zinc/22/60/88/829226088.db2.gz	MOWROXTYAAFJBY-RDBSUJKOSA-N	1	0	368.396	1.003	20	30		FDEDRO
Cn1c(C#N)ccc1C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000448879819	829283744	/nfs/dbraw/zinc/28/37/44/829283744.db2.gz	AUCQPDMNXWLLBT-UHFFFAOYSA-N	1	0	353.426	1.118	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)CN1CCN(c2cc(C3CC3)[nH]n2)CC1	ZINC000528463068	829416097	/nfs/dbraw/zinc/41/60/97/829416097.db2.gz	FMIFNYZZKIZWIF-KRWDZBQOSA-N	1	0	367.453	1.721	20	30		FDEDRO
O=C([C@@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1)N1CCCC1	ZINC000528500657	829428421	/nfs/dbraw/zinc/42/84/21/829428421.db2.gz	COPKLWNNJZKSGN-MRXNPFEDSA-N	1	0	365.433	1.230	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[NH2+][C@H]1CCC(=O)NC12CCC2	ZINC000528490292	829432226	/nfs/dbraw/zinc/43/22/26/829432226.db2.gz	JXGTXHUQAVLLHV-INIZCTEOSA-N	1	0	351.406	1.077	20	30		FDEDRO
N#Cc1ccc(CC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1	ZINC000528703866	829525010	/nfs/dbraw/zinc/52/50/10/829525010.db2.gz	MBFIWMMFLPBHQQ-HXUWFJFHSA-N	1	0	350.422	1.249	20	30		FDEDRO
N#Cc1ccc(CC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1	ZINC000528703857	829525130	/nfs/dbraw/zinc/52/51/30/829525130.db2.gz	MBFIWMMFLPBHQQ-FQEVSTJZSA-N	1	0	350.422	1.249	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]C[C@@H](O)COc1ccccc1	ZINC001168109582	829530235	/nfs/dbraw/zinc/53/02/35/829530235.db2.gz	BYUODDCRKUALSA-NEWSRXKRSA-N	1	0	362.470	1.503	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCCC[C@@H]1CC	ZINC001168110320	829552426	/nfs/dbraw/zinc/55/24/26/829552426.db2.gz	RSZAZIHSQFLWKD-LNLFQRSKSA-N	1	0	365.518	1.855	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)C[C@@H](C)O1	ZINC000528780168	829558773	/nfs/dbraw/zinc/55/87/73/829558773.db2.gz	AYPGZPRPRPCUGE-HZPDHXFCSA-N	1	0	357.454	1.789	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]3C2)C1	ZINC000985895245	829996632	/nfs/dbraw/zinc/99/66/32/829996632.db2.gz	RFSFTKYRODQRFX-UAGQMJEPSA-N	1	0	369.469	1.149	20	30		FDEDRO
C[N@H+](CC(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C1)C1CCC1	ZINC000985965989	830217554	/nfs/dbraw/zinc/21/75/54/830217554.db2.gz	TUQKPHQISBLASU-CABCVRRESA-N	1	0	369.469	1.291	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C1	ZINC000985979072	830235189	/nfs/dbraw/zinc/23/51/89/830235189.db2.gz	IXKWDFFMBZWNIA-UWWQBHOKSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2csc([C@H]3CCCO3)n2)[C@@H](O)C1	ZINC001083460941	837467533	/nfs/dbraw/zinc/46/75/33/837467533.db2.gz	FTESLOLKZWBFON-VHDGCEQUSA-N	1	0	351.472	1.736	20	30		FDEDRO
N#CCN1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1	ZINC000531358774	830707253	/nfs/dbraw/zinc/70/72/53/830707253.db2.gz	BCWOBPAQMPNUEW-RTBURBONSA-N	1	0	355.486	1.645	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2CCN(C(C)=O)CC2)C[C@H]1C(F)(F)F	ZINC001112204004	830917651	/nfs/dbraw/zinc/91/76/51/830917651.db2.gz	XBUIAJXTLVVELJ-HUUCEWRRSA-N	1	0	359.392	1.247	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccc2ncnn2c1)C(C)C	ZINC000453598976	830953223	/nfs/dbraw/zinc/95/32/23/830953223.db2.gz	PCRNBPJQHWAEGT-MRXNPFEDSA-N	1	0	370.457	1.483	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)ccc1C#N	ZINC000453570185	830954098	/nfs/dbraw/zinc/95/40/98/830954098.db2.gz	DCIBLOHBGUXAIQ-KRWDZBQOSA-N	1	0	365.437	1.489	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1	ZINC000986128787	830981570	/nfs/dbraw/zinc/98/15/70/830981570.db2.gz	ZPYPYYWAVSAEKG-KURKYZTESA-N	1	0	370.497	1.546	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)C1	ZINC000453684235	831019919	/nfs/dbraw/zinc/01/99/19/831019919.db2.gz	BLRYSMMPXSDCES-GOSISDBHSA-N	1	0	372.469	1.650	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)ccc1C#N	ZINC000453705395	831029704	/nfs/dbraw/zinc/02/97/04/831029704.db2.gz	XWJYWPMCEHROMX-AWEZNQCLSA-N	1	0	365.437	1.837	20	30		FDEDRO
C=C(C)CCNC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1	ZINC000453878750	831132931	/nfs/dbraw/zinc/13/29/31/831132931.db2.gz	OGSYOKSJWLHHAG-UHFFFAOYSA-N	1	0	374.485	1.334	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]2C1	ZINC000986247170	831360219	/nfs/dbraw/zinc/36/02/19/831360219.db2.gz	XHNNSZWUGMLWKQ-JZXOWHBKSA-N	1	0	368.481	1.828	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1	ZINC000986426919	831663281	/nfs/dbraw/zinc/66/32/81/831663281.db2.gz	FIFFIUBNUWXUPB-FUHIMQAGSA-N	1	0	359.514	1.991	20	30		FDEDRO
CCn1cccc(CNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)c1=O	ZINC000262909290	831853695	/nfs/dbraw/zinc/85/36/95/831853695.db2.gz	YIEPIVPAWXOMRA-UHFFFAOYSA-N	1	0	357.433	1.644	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N2C[C@@H]3CN(C(=O)C#CC4CC4)CC[C@@H]3C2)CC[N@@H+]1C	ZINC000986545327	831876053	/nfs/dbraw/zinc/87/60/53/831876053.db2.gz	SXBOFZSBWNBMJK-KANFNMMFSA-N	1	0	357.498	1.437	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1C(F)(F)F	ZINC001112207607	831914074	/nfs/dbraw/zinc/91/40/74/831914074.db2.gz	XDOZGEWPWRGIDY-DGCLKSJQSA-N	1	0	358.364	1.672	20	30		FDEDRO
C[N@@H+](Cc1ccccc1C#N)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001029964246	831928333	/nfs/dbraw/zinc/92/83/33/831928333.db2.gz	BGQMYYQQXMHQJE-QZTJIDSGSA-N	1	0	356.426	1.894	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2	ZINC000475744131	831963406	/nfs/dbraw/zinc/96/34/06/831963406.db2.gz	APYOXUQUVMSZIC-NRFANRHFSA-N	1	0	370.497	1.986	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCC2CC2)C1	ZINC001112215921	832373704	/nfs/dbraw/zinc/37/37/04/832373704.db2.gz	ODODULGDKJMVLQ-HUUCEWRRSA-N	1	0	364.408	1.985	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)O1	ZINC000263110710	832444681	/nfs/dbraw/zinc/44/46/81/832444681.db2.gz	ARMQPGPMPDNUQY-ZFWWWQNUSA-N	1	0	362.430	1.210	20	30		FDEDRO
C[C@@]1(C2CC2)NC(=O)N(c2cccc(CNC(=[NH2+])NC3CCC3)c2)C1=O	ZINC000263142125	832555799	/nfs/dbraw/zinc/55/57/99/832555799.db2.gz	OKCBELHDBOBRLH-IBGZPJMESA-N	1	0	355.442	1.868	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3cc(C)oc3C)[C@H]2C)CC1	ZINC000987324517	832791018	/nfs/dbraw/zinc/79/10/18/832791018.db2.gz	QXAWNCMGXBNTDO-BEFAXECRSA-N	1	0	371.481	1.961	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C(C)C)[C@H]2C)nc1	ZINC000987975507	833853993	/nfs/dbraw/zinc/85/39/93/833853993.db2.gz	NEQDSIOXGFFLJG-HHXXYDBFSA-N	1	0	368.481	1.655	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C)cc1	ZINC000988090037	834019742	/nfs/dbraw/zinc/01/97/42/834019742.db2.gz	JKTLMESTPDHXGS-AYBZRNKSSA-N	1	0	371.481	1.922	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@@H]1C	ZINC000988857269	837726416	/nfs/dbraw/zinc/72/64/16/837726416.db2.gz	MRXWQHNYVUOYDB-RYRKJORJSA-N	1	0	371.481	1.922	20	30		FDEDRO
C=CCN(C(=O)C[C@@H]1COCC[NH2+]1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000262570088	837771922	/nfs/dbraw/zinc/77/19/22/837771922.db2.gz	SFRORSUNCIHHNM-GDBMZVCRSA-N	1	0	356.430	1.116	20	30		FDEDRO
Cc1cccn(CC(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)c1=O	ZINC001088565015	834715508	/nfs/dbraw/zinc/71/55/08/834715508.db2.gz	YPWIXDILUGBDAM-APWZRJJASA-N	1	0	364.449	1.808	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)CC(F)(F)F)[C@@H]2C)CC1	ZINC000988505713	835644861	/nfs/dbraw/zinc/64/48/61/835644861.db2.gz	BXZZFHVZFYKSSX-OCCSQVGLSA-N	1	0	359.392	1.390	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3cccnc3)[C@@H]2C)CC1	ZINC000988506922	835661153	/nfs/dbraw/zinc/66/11/53/835661153.db2.gz	ALUIHZIIDRXTNR-QAPCUYQASA-N	1	0	354.454	1.146	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)NCC[N@H+]3CCC[C@H]3C)CC2)c1C#N	ZINC000897506126	835674949	/nfs/dbraw/zinc/67/49/49/835674949.db2.gz	VEOJPQCMPWYNKB-CYBMUJFWSA-N	1	0	362.503	1.639	20	30		FDEDRO
[NH3+]C[C@H](NC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1)C1CC1	ZINC000667360195	844094050	/nfs/dbraw/zinc/09/40/50/844094050.db2.gz	YOTVJKQQXLVZQH-KRWDZBQOSA-N	1	0	353.447	1.940	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1	ZINC000246181161	835960526	/nfs/dbraw/zinc/96/05/26/835960526.db2.gz	LUSFHZRJLPYZDZ-IBGZPJMESA-N	1	0	373.501	1.374	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCc2scnc2C)C[C@H]1OC	ZINC001211995091	836034365	/nfs/dbraw/zinc/03/43/65/836034365.db2.gz	UCZANVCMZYGJJY-BZUAXINKSA-N	1	0	367.515	1.791	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1cnc(Cl)cc1C(F)(F)F	ZINC001212017244	836296442	/nfs/dbraw/zinc/29/64/42/836296442.db2.gz	BBMFGVADBDIFSY-UHFFFAOYSA-N	1	0	369.796	1.987	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cc2ccc(F)cc2)C[C@H]1OC	ZINC001212022603	836300645	/nfs/dbraw/zinc/30/06/45/836300645.db2.gz	YXVXTHVHMDTDPR-KZNAEPCWSA-N	1	0	350.434	1.511	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C	ZINC000988628020	836316927	/nfs/dbraw/zinc/31/69/27/836316927.db2.gz	DQEBFVKAQONPFT-WBVHZDCISA-N	1	0	358.486	1.735	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3ccsn3)[C@H]2C)CC1	ZINC000988696613	836733838	/nfs/dbraw/zinc/73/38/38/836733838.db2.gz	PLUWSOFLMRNETP-HIFRSBDPSA-N	1	0	360.483	1.208	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1	ZINC000938029717	836995811	/nfs/dbraw/zinc/99/58/11/836995811.db2.gz	GQNQDIGHMLSDDE-QAETUUGQSA-N	1	0	351.491	1.271	20	30		FDEDRO
COc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[C@H]3CCNC3=O)[C@H]2C)cc1C#N	ZINC001088618229	837018825	/nfs/dbraw/zinc/01/88/25/837018825.db2.gz	OPWMDMHDBCOKQN-UNEWFSDZSA-N	1	0	370.453	1.172	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@H]1OC	ZINC001212092975	837109826	/nfs/dbraw/zinc/10/98/26/837109826.db2.gz	ZKUAXXKYLRTLOR-KZNAEPCWSA-N	1	0	354.491	1.601	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)nc1	ZINC000988775403	837237163	/nfs/dbraw/zinc/23/71/63/837237163.db2.gz	LCIGLNITJGGOOO-PBHICJAKSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C	ZINC000988779274	837270956	/nfs/dbraw/zinc/27/09/56/837270956.db2.gz	DUHZGNWNYDJQHA-WBVHZDCISA-N	1	0	358.486	1.735	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O	ZINC001083456287	837340151	/nfs/dbraw/zinc/34/01/51/837340151.db2.gz	OSOBWPNSIGYOKI-QRVBRYPASA-N	1	0	356.470	1.092	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CC=CCC1)N1CCN([C@H](C)C(=O)N2CCCC2)CC1	ZINC000261979762	837382635	/nfs/dbraw/zinc/38/26/35/837382635.db2.gz	OPOLRFGKMJJXNT-QZTJIDSGSA-N	1	0	361.534	1.547	20	30		FDEDRO
[NH2+]=C(NCCNC(=O)c1ccc(O)cc1)Nc1ccc2c(c1)OCCCO2	ZINC000262834437	837914407	/nfs/dbraw/zinc/91/44/07/837914407.db2.gz	SDCBEGHINHNKLQ-UHFFFAOYSA-N	1	0	370.409	1.710	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1	ZINC000271935198	838422116	/nfs/dbraw/zinc/42/21/16/838422116.db2.gz	NRWAWGZPAUKBEK-HUUCEWRRSA-N	1	0	355.438	1.876	20	30		FDEDRO
C[NH+](C)CCn1nccc1NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1	ZINC000455658038	838425920	/nfs/dbraw/zinc/42/59/20/838425920.db2.gz	NCCPJSLDROGLHJ-KRWDZBQOSA-N	1	0	368.441	1.922	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C)cn1	ZINC000989165316	838552127	/nfs/dbraw/zinc/55/21/27/838552127.db2.gz	DZMQAUIWMREWMS-RKVPGOIHSA-N	1	0	354.454	1.266	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@]34CC[N@H+](C3)CCC4)[C@@H]2C)cc1	ZINC000989215181	838732785	/nfs/dbraw/zinc/73/27/85/838732785.db2.gz	KUSCKDZAFULBQX-WVBUVRCRSA-N	1	0	365.477	1.873	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCN(C[C@@H](C)O)[C@H](CC)C1	ZINC000459992941	839186486	/nfs/dbraw/zinc/18/64/86/839186486.db2.gz	JKXHHLTUYKZBSQ-IEBWSBKVSA-N	1	0	373.497	1.505	20	30		FDEDRO
COc1ccc(CNC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1C#N	ZINC000841863283	839459241	/nfs/dbraw/zinc/45/92/41/839459241.db2.gz	NTBIDTCKQJWTSA-IEBWSBKVSA-N	1	0	372.469	1.995	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN(c3ncc(C#N)cc3F)C2)CC[N@@H+]1C	ZINC001059968578	839530548	/nfs/dbraw/zinc/53/05/48/839530548.db2.gz	JTPXYCXKYFASGQ-IIAWOOMASA-N	1	0	359.449	1.765	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CCNC(=O)OC(C)(C)C)c1C#N	ZINC000760305680	839771105	/nfs/dbraw/zinc/77/11/05/839771105.db2.gz	XZZYIRWDOIRZPH-UHFFFAOYSA-N	1	0	350.423	1.287	20	30		FDEDRO
C#CCOCCC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@H]1C	ZINC001101961847	839783949	/nfs/dbraw/zinc/78/39/49/839783949.db2.gz	KISLTKQHGKJNDN-QRQLOZEOSA-N	1	0	350.503	1.652	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)F)[C@H]2C(C)C)C[C@H]1O	ZINC001105585488	839995271	/nfs/dbraw/zinc/99/52/71/839995271.db2.gz	QHNQLDYLLCRBRQ-OAFZBRQQSA-N	1	0	356.482	1.903	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+][C@@H]1C[C@]2(CN(C(C)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105582883	840008930	/nfs/dbraw/zinc/00/89/30/840008930.db2.gz	ZEIGELIXHVVTKK-IZBJGVDFSA-N	1	0	363.502	1.173	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccncc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105587882	840031940	/nfs/dbraw/zinc/03/19/40/840031940.db2.gz	OJDKCLMDJKYELG-ANTGDGSKSA-N	1	0	371.481	1.311	20	30		FDEDRO
C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N	ZINC000111220384	844508590	/nfs/dbraw/zinc/50/85/90/844508590.db2.gz	HFUQFIKOGSAANG-VNHYZAJKSA-N	1	0	363.421	1.809	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc(C)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105592193	840135149	/nfs/dbraw/zinc/13/51/49/840135149.db2.gz	ZIUKAEMOOSMZPU-DLVXIWMQSA-N	1	0	356.470	1.388	20	30		FDEDRO
C[C@@H]1[C@H](C)N(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC[N@H+]1C	ZINC000476192538	840153291	/nfs/dbraw/zinc/15/32/91/840153291.db2.gz	NYJFOWBLDXYKJI-RVKKMQEKSA-N	1	0	354.454	1.600	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(C)c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105593858	840297423	/nfs/dbraw/zinc/29/74/23/840297423.db2.gz	HHOSAIXHDMQETJ-SOAMZJECSA-N	1	0	358.486	1.332	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCn3cccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105597038	840763599	/nfs/dbraw/zinc/76/35/99/840763599.db2.gz	BIDQOAXDZCRLTF-IZBJGVDFSA-N	1	0	358.486	1.263	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000898327390	840947857	/nfs/dbraw/zinc/94/78/57/840947857.db2.gz	GNHSMGIGSRAYFY-UHFFFAOYSA-N	1	0	356.470	1.255	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN(C)C(C)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105601058	841027900	/nfs/dbraw/zinc/02/79/00/841027900.db2.gz	RGWJZDAGLBRQOK-FPAYPSAMSA-N	1	0	351.491	1.007	20	30		FDEDRO
CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CSCC#N)[C@@H]2C(C)C)C[C@H]1O	ZINC001105601259	841029920	/nfs/dbraw/zinc/02/99/20/841029920.db2.gz	VJSJCYPMWSLRDG-JOCBIADPSA-N	1	0	369.531	1.246	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN(C)C(C)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105601116	841038860	/nfs/dbraw/zinc/03/88/60/841038860.db2.gz	RYHNJLJWOOCXNM-RWQQGDIJSA-N	1	0	351.491	1.007	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)CSCC#N)C[C@]12C[C@@H](O)[C@H]([NH2+]CC1CC1)C2	ZINC001105601078	841038956	/nfs/dbraw/zinc/03/89/56/841038956.db2.gz	RREMWEJWZYCCNY-AHCXZYCDSA-N	1	0	351.516	1.619	20	30		FDEDRO
C=CCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)N(C)CC)C2)[C@H]1C(C)C	ZINC001105604090	841181490	/nfs/dbraw/zinc/18/14/90/841181490.db2.gz	RDRMXDSCMBGLPB-XNFNUYLZSA-N	1	0	365.518	1.397	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCC(=O)NCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105607158	841222081	/nfs/dbraw/zinc/22/20/81/841222081.db2.gz	MIUMMECWXHDBJO-VVWQDTPRSA-N	1	0	351.491	1.055	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCOCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105607453	841226470	/nfs/dbraw/zinc/22/64/70/841226470.db2.gz	RSZWQSMMBPWIOO-JYBIWHBTSA-N	1	0	368.518	1.582	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cc[nH]n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105609766	841387793	/nfs/dbraw/zinc/38/77/93/841387793.db2.gz	AZYPZUYBUXBWDR-HNBVOPMISA-N	1	0	360.502	1.885	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cc(C)on3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105609821	841396413	/nfs/dbraw/zinc/39/64/13/841396413.db2.gz	BONAZYFJDPTANW-LFGUQSLTSA-N	1	0	359.470	1.515	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)cc1	ZINC000088820466	841676650	/nfs/dbraw/zinc/67/66/50/841676650.db2.gz	BBTOQVXHBVJESV-UHFFFAOYSA-N	1	0	369.421	1.821	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCOC(C)C)C2)[C@@H]1C(C)C	ZINC001105612062	841932666	/nfs/dbraw/zinc/93/26/66/841932666.db2.gz	XHEGZNBFQLYKQH-IZBJGVDFSA-N	1	0	368.518	1.580	20	30		FDEDRO
CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1cnn(C)c1C#N	ZINC000476856794	842175828	/nfs/dbraw/zinc/17/58/28/842175828.db2.gz	RNHLMUALBGCWPL-LJQANCHMSA-N	1	0	353.426	1.001	20	30		FDEDRO
C=CCN1CC[C@H](N2CC[C@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@H]2C)C1=O	ZINC001088710429	842192375	/nfs/dbraw/zinc/19/23/75/842192375.db2.gz	NDZOGFCCYYKBSZ-JLSDUUJJSA-N	1	0	367.453	1.314	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CNC(=O)CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105613804	842224695	/nfs/dbraw/zinc/22/46/95/842224695.db2.gz	CABTVMXXSONSMX-SMOSDQRPSA-N	1	0	365.518	1.445	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)c2cc(C#N)c[nH]2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCF)C2	ZINC001105614996	842228672	/nfs/dbraw/zinc/22/86/72/842228672.db2.gz	NBYDCXUPQQVXEY-YWTNHNAXSA-N	1	0	362.449	1.826	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(OC)no3)[C@H]2C(C)C)C[C@H]1O	ZINC001105618942	842234266	/nfs/dbraw/zinc/23/42/66/842234266.db2.gz	CGTAXRHKYZOKDI-GNSPCKGOSA-N	1	0	361.442	1.286	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)ccn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105619905	842240468	/nfs/dbraw/zinc/24/04/68/842240468.db2.gz	SRVDXEHLRXFQNN-PLOVASNDSA-N	1	0	357.498	1.937	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nccn3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105623887	842252610	/nfs/dbraw/zinc/25/26/10/842252610.db2.gz	UQKBCHUBYBRVEF-VIPLHTEESA-N	1	0	358.486	1.506	20	30		FDEDRO
CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C#CC(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105626436	842256756	/nfs/dbraw/zinc/25/67/56/842256756.db2.gz	AKKXNIDTKFKEIP-LFGUQSLTSA-N	1	0	350.503	1.648	20	30		FDEDRO
CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C#CC(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105626435	842256857	/nfs/dbraw/zinc/25/68/57/842256857.db2.gz	AKKXNIDTKFKEIP-JYBIWHBTSA-N	1	0	350.503	1.648	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncn(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105626794	842257529	/nfs/dbraw/zinc/25/75/29/842257529.db2.gz	HQDPIJLKAQKSKM-NNFUDEMPSA-N	1	0	361.490	1.361	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn4c3CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001105631573	842264697	/nfs/dbraw/zinc/26/46/97/842264697.db2.gz	DUQVQFAPMJROJK-XLBJILASSA-N	1	0	370.497	1.432	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc4n3CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001105636859	842268861	/nfs/dbraw/zinc/26/88/61/842268861.db2.gz	FLJOQXBHYLQZQM-QSRMWPQZSA-N	1	0	370.497	1.432	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3n[nH]c4c3CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001105636916	842269543	/nfs/dbraw/zinc/26/95/43/842269543.db2.gz	GNFZNKROVORBIM-VGUOSERISA-N	1	0	370.497	1.501	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CCOC)C3)[C@@H]2C(C)C)CCC1	ZINC001105637337	842270948	/nfs/dbraw/zinc/27/09/48/842270948.db2.gz	NIUGBXGJKSJWBQ-WIRSXHRWSA-N	1	0	362.514	1.793	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CCOC)C3)[C@H]2C(C)C)CCC1	ZINC001105637335	842271523	/nfs/dbraw/zinc/27/15/23/842271523.db2.gz	NIUGBXGJKSJWBQ-IKVWTGGYSA-N	1	0	362.514	1.793	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccncc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105632135	842278745	/nfs/dbraw/zinc/27/87/45/842278745.db2.gz	IJFCPWPADVGMTC-KRXUUXHPSA-N	1	0	369.509	1.922	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn4c(n3)CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001105632665	842280415	/nfs/dbraw/zinc/28/04/15/842280415.db2.gz	MVQSKZSWJKMAAH-DOSUHQCWSA-N	1	0	370.497	1.432	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC=C(C)C)C2)[C@@H]1C(C)C	ZINC001105632690	842280945	/nfs/dbraw/zinc/28/09/45/842280945.db2.gz	NFURYJFGWCJSFC-RMVXJAJNSA-N	1	0	362.514	1.959	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(F)CCOCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105633055	842281344	/nfs/dbraw/zinc/28/13/44/842281344.db2.gz	POUCGEDPCGEVCN-VXNCWWDNSA-N	1	0	366.477	1.495	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(COC)CCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105643420	842335747	/nfs/dbraw/zinc/33/57/47/842335747.db2.gz	YAZPLHPSJOBBNG-IKVWTGGYSA-N	1	0	362.514	1.793	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)O[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000923792712	842440232	/nfs/dbraw/zinc/44/02/32/842440232.db2.gz	QPBDAJBPCSJPGI-QGZVFWFLSA-N	1	0	357.410	1.318	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccn(CC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105657402	842494370	/nfs/dbraw/zinc/49/43/70/842494370.db2.gz	YWJGHSFDBMTBLN-MLYOOKFZSA-N	1	0	358.486	1.506	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CCOC)C3)[C@H]2C(C)C)c1	ZINC001105657596	842495357	/nfs/dbraw/zinc/49/53/57/842495357.db2.gz	ZKPWOGALRDCOKJ-ANTGDGSKSA-N	1	0	371.481	1.289	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(CF)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105658978	842500660	/nfs/dbraw/zinc/50/06/60/842500660.db2.gz	LPPRXYURRJJMBQ-VIPLHTEESA-N	1	0	366.477	1.352	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCc3ccncc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105662009	842732654	/nfs/dbraw/zinc/73/26/54/842732654.db2.gz	LYUNHHIMSAANQQ-VURPSTOHSA-N	1	0	371.481	1.198	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]32)cc1	ZINC001075958668	842802620	/nfs/dbraw/zinc/80/26/20/842802620.db2.gz	CYLGWJUGKLJURZ-RYQLBKOJSA-N	1	0	357.454	1.662	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]32)cc1	ZINC001075958744	842803596	/nfs/dbraw/zinc/80/35/96/842803596.db2.gz	SNCAHDRBMBLWAS-HHXXYDBFSA-N	1	0	371.481	1.874	20	30		FDEDRO
C=C(C)Cn1c(COCC)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000460802061	842846738	/nfs/dbraw/zinc/84/67/38/842846738.db2.gz	AHOGLARYKGDHMI-QGZVFWFLSA-N	1	0	363.506	1.939	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc(C)nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105664446	842905014	/nfs/dbraw/zinc/90/50/14/842905014.db2.gz	YIYOZNDDVYZULC-ANTGDGSKSA-N	1	0	370.497	1.696	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCCCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105665613	843006414	/nfs/dbraw/zinc/00/64/14/843006414.db2.gz	APJRPQWNDPKZDW-IZBJGVDFSA-N	1	0	368.518	1.582	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H](CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC001060051228	843018557	/nfs/dbraw/zinc/01/85/57/843018557.db2.gz	KMLSZHNVDDRUBW-YVWKXTFCSA-N	1	0	367.493	1.977	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(CC)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105665759	843019283	/nfs/dbraw/zinc/01/92/83/843019283.db2.gz	BVCBPLWRDYDLTO-UIXUWTQFSA-N	1	0	358.486	1.506	20	30		FDEDRO
O=C([C@@H]1CCC(=O)NC1)N1CC[C@H]2CN(CC#Cc3ccc(F)cc3)C[C@H]21	ZINC001075977111	843124605	/nfs/dbraw/zinc/12/46/05/843124605.db2.gz	JPGWYYYMVWUNIN-ZIFCJYIRSA-N	1	0	369.440	1.236	20	30		FDEDRO
N#C[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000461959263	843251943	/nfs/dbraw/zinc/25/19/43/843251943.db2.gz	NNACYEFZDPVNAH-ZSYWTGECSA-N	1	0	356.470	1.861	20	30		FDEDRO
C[NH+](C)Cc1ccc(N2CCN(C(=O)N[C@@H]3CCC[C@@H]3C#N)CC2)nc1	ZINC000461965458	843259831	/nfs/dbraw/zinc/25/98/31/843259831.db2.gz	NGECRSUSLOODSV-IAGOWNOFSA-N	1	0	356.474	1.667	20	30		FDEDRO
N#C[C@H]1CCC[C@@H]1NC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000461972152	843266903	/nfs/dbraw/zinc/26/69/03/843266903.db2.gz	YYDCLKUDTZBFFT-SJORKVTESA-N	1	0	371.489	1.370	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)CCSC1	ZINC000462082602	843307429	/nfs/dbraw/zinc/30/74/29/843307429.db2.gz	HNMLHXMDGQHDFT-KRWDZBQOSA-N	1	0	371.470	1.698	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)CCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105667099	843491379	/nfs/dbraw/zinc/49/13/79/843491379.db2.gz	OAKKNXAJCIHCTO-WWNBULGVSA-N	1	0	350.503	1.648	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cncn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105668080	843753677	/nfs/dbraw/zinc/75/36/77/843753677.db2.gz	WCTNFHPLIXRZTG-IZBJGVDFSA-N	1	0	360.502	1.505	20	30		FDEDRO
CC(=O)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccccc2C#N)C1	ZINC001112265676	844923591	/nfs/dbraw/zinc/92/35/91/844923591.db2.gz	IROVZPDXJALNNC-FPOVZHCZSA-N	1	0	368.481	1.755	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]12CCC[C@H]1[N@H+](CCn1cncn1)CC2	ZINC000990743987	845506164	/nfs/dbraw/zinc/50/61/64/845506164.db2.gz	SMMUXJZQGIUUOA-NTDBWNAOSA-N	1	0	359.474	1.373	20	30		FDEDRO
C#CC[C@@H]1NC(=O)N(CCCC[NH+]2CCN(c3cccc(C)c3)CC2)C1=O	ZINC000842236535	845857216	/nfs/dbraw/zinc/85/72/16/845857216.db2.gz	PLKKCLBWTJFPLR-IBGZPJMESA-N	1	0	368.481	1.841	20	30		FDEDRO
C[NH+](C)CCCN1C(=O)C[C@@H](N2CCO[C@H](c3ccc(C#N)cc3)C2)C1=O	ZINC000899252007	845996785	/nfs/dbraw/zinc/99/67/85/845996785.db2.gz	FYOCFXWJZNEDRH-MSOLQXFVSA-N	1	0	370.453	1.011	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@@H]1O	ZINC001083524518	846265573	/nfs/dbraw/zinc/26/55/73/846265573.db2.gz	XZQCIIQRLUIRSW-AQNXPRMDSA-N	1	0	370.497	1.482	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)C2	ZINC000923947177	846833918	/nfs/dbraw/zinc/83/39/18/846833918.db2.gz	SLOCLQYOGBEUCE-MJGOQNOKSA-N	1	0	354.454	1.578	20	30		FDEDRO
C=CCOC[C@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)C(=O)OC	ZINC000481763207	846877318	/nfs/dbraw/zinc/87/73/18/846877318.db2.gz	NVSKMDQUXOPCES-KRWDZBQOSA-N	1	0	355.394	1.721	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)C[C@@H]1O	ZINC001083536013	846924313	/nfs/dbraw/zinc/92/43/13/846924313.db2.gz	ZGCYIBJBFKTVNR-HKBOAZHASA-N	1	0	367.493	1.323	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCN(CC(=O)Nc2ccccc2CC)CC1	ZINC000899976101	846972845	/nfs/dbraw/zinc/97/28/45/846972845.db2.gz	WIAGFXPPWLOJHJ-UHFFFAOYSA-N	1	0	372.513	1.840	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C[C@@H]4CCCC(=O)N4)[C@@H]3C2)cc1	ZINC001076019705	847034791	/nfs/dbraw/zinc/03/47/91/847034791.db2.gz	YPLFNFWGJBREAA-GBESFXJTSA-N	1	0	366.465	1.650	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)Cc4ccc(=O)[nH]c4)[C@@H]3C2)s1	ZINC001076055895	847173776	/nfs/dbraw/zinc/17/37/76/847173776.db2.gz	UQLSAXHPITXZRA-WMLDXEAASA-N	1	0	368.462	1.996	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3C[N@H+](CCC[C@H]4CCOC4)C[C@H]32)nn1	ZINC001076336315	847883154	/nfs/dbraw/zinc/88/31/54/847883154.db2.gz	RVFIHANJCOQNGJ-XYJFISCASA-N	1	0	359.474	1.427	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cncc(C)c4)C[C@H]32)nn1	ZINC001076344915	847919327	/nfs/dbraw/zinc/91/93/27/847919327.db2.gz	GEWZQRYIIMXTFR-PKOBYXMFSA-N	1	0	366.469	1.904	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4ccccc4C)[C@@H]3C2)C1=O	ZINC001076551959	848390969	/nfs/dbraw/zinc/39/09/69/848390969.db2.gz	BMDUZIKIOGQKAB-XUVXKRRUSA-N	1	0	367.493	1.857	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000938228919	848480365	/nfs/dbraw/zinc/48/03/65/848480365.db2.gz	BORIRCOOEHEELC-HHXXYDBFSA-N	1	0	371.481	1.922	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(Cc4cnc(C)nc4)C[C@H]32)CC1	ZINC001076604911	848554545	/nfs/dbraw/zinc/55/45/45/848554545.db2.gz	XPELMLXDFLLREH-VQTJNVASSA-N	1	0	367.497	1.163	20	30		FDEDRO
CCn1nc(C)c(C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)n1	ZINC001076640187	848632355	/nfs/dbraw/zinc/63/23/55/848632355.db2.gz	XGGSYABWSSUZHS-ZWKOTPCHSA-N	1	0	364.453	1.825	20	30		FDEDRO
COc1ccc(C#N)cc1CN1C[C@@H](O)[C@H](NC(=O)c2ccccc2C)C1	ZINC001076698908	848779504	/nfs/dbraw/zinc/77/95/04/848779504.db2.gz	KWSVFWXCPBEFLP-RTBURBONSA-N	1	0	365.433	1.850	20	30		FDEDRO
Cc1cccc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)c1	ZINC001076898430	849281889	/nfs/dbraw/zinc/28/18/89/849281889.db2.gz	IRGKWKNWXSLKBB-RTBURBONSA-N	1	0	352.438	1.603	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1	ZINC000483205900	849381401	/nfs/dbraw/zinc/38/14/01/849381401.db2.gz	WIZPEFRWBKUKOS-HNAYVOBHSA-N	1	0	359.474	1.655	20	30		FDEDRO
CNC(=O)C[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccccc1	ZINC000483412720	849550691	/nfs/dbraw/zinc/55/06/91/849550691.db2.gz	VVSUXPZDLMMHMO-GOSISDBHSA-N	1	0	350.422	1.641	20	30		FDEDRO
CC#CCCNC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1	ZINC000483427398	849565449	/nfs/dbraw/zinc/56/54/49/849565449.db2.gz	JSXJLPCBIAISNY-UHFFFAOYSA-N	1	0	358.486	1.872	20	30		FDEDRO
CNC(=O)C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccccc1	ZINC000483428976	849566558	/nfs/dbraw/zinc/56/65/58/849566558.db2.gz	XENYBBYXCOIPJV-HKUYNNGSSA-N	1	0	353.422	1.765	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CSC(C)C)C[C@]2(C)C1	ZINC001101135632	849692762	/nfs/dbraw/zinc/69/27/62/849692762.db2.gz	UOTXHXUAQGIZJG-DAYGRLMNSA-N	1	0	353.532	1.599	20	30		FDEDRO
CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CSCC#N)C[C@]2(C)C1	ZINC001101136129	849704706	/nfs/dbraw/zinc/70/47/06/849704706.db2.gz	JXTDNWGOWDUCFF-DAYGRLMNSA-N	1	0	366.531	1.279	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(Cc3ccccc3C#N)C[C@H]2O)C1	ZINC001077128117	849836658	/nfs/dbraw/zinc/83/66/58/849836658.db2.gz	XTUFIJBOCBWJOA-VAMGGRTRSA-N	1	0	370.497	1.197	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@H]1O	ZINC001077139053	849872958	/nfs/dbraw/zinc/87/29/58/849872958.db2.gz	VJTLGNMSBCXMSZ-QWFCFKBJSA-N	1	0	369.465	1.053	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1	ZINC001077167066	849973910	/nfs/dbraw/zinc/97/39/10/849973910.db2.gz	ZBKMKZYPKOQTTJ-JOCBIADPSA-N	1	0	362.474	1.108	20	30		FDEDRO
CCn1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC#CCOC)C2)c(C)n1	ZINC001112537787	850915717	/nfs/dbraw/zinc/91/57/17/850915717.db2.gz	YOBRQZHCNSARDU-PXNSSMCTSA-N	1	0	358.486	1.693	20	30		FDEDRO
CN(Cc1noc(C2CC3(C2)C[NH2+]C[C@@H]3C#N)n1)C(=O)c1ccccc1	ZINC000904094880	850967770	/nfs/dbraw/zinc/96/77/70/850967770.db2.gz	UWRYXVCGCMLQOF-HVEKOLDVSA-N	1	0	351.410	1.949	20	30		FDEDRO
C[NH+](C)CCn1nnnc1S[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000484629746	851014032	/nfs/dbraw/zinc/01/40/32/851014032.db2.gz	LNTBARASFQHJSG-HNNXBMFYSA-N	1	0	371.470	1.394	20	30		FDEDRO
C=C[C@@](C)(O)C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000668408197	851264687	/nfs/dbraw/zinc/26/46/87/851264687.db2.gz	MHRXAJSAIHYPHY-GOSISDBHSA-N	1	0	351.878	1.905	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1	ZINC000904966198	851560777	/nfs/dbraw/zinc/56/07/77/851560777.db2.gz	HMSUPOQVCWBAKG-VXGBXAGGSA-N	1	0	374.388	1.316	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H]([NH2+]C[C@@H](O)CCC3(O)CCC3)C2=O)cc1	ZINC000905227481	851737122	/nfs/dbraw/zinc/73/71/22/851737122.db2.gz	AUIATZHQQRLBIJ-ROUUACIJSA-N	1	0	357.454	1.305	20	30		FDEDRO
C=CCOCC[NH2+]C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2	ZINC000905204512	851748091	/nfs/dbraw/zinc/74/80/91/851748091.db2.gz	VUMPRGHHICMZMU-INIZCTEOSA-N	1	0	372.387	1.959	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1c(F)ccc(S(=O)(=O)CC2CC2)c1F	ZINC000913523435	862288248	/nfs/dbraw/zinc/28/82/48/862288248.db2.gz	ZTAYTAVRBMPPQM-UHFFFAOYSA-N	1	0	370.421	1.443	20	30		FDEDRO
CC1(C)[NH2+]CC[C@H]1NS(=O)(=O)c1cccc(Br)c1C#N	ZINC000905360022	851859653	/nfs/dbraw/zinc/85/96/53/851859653.db2.gz	VIZJQDMTEZNNLT-GFCCVEGCSA-N	1	0	358.261	1.740	20	30		FDEDRO
COc1cccc(-n2ccnc2SCC(=O)NCC#CC[NH+](C)C)c1	ZINC000913515116	862295730	/nfs/dbraw/zinc/29/57/30/862295730.db2.gz	JPJATVHPNYAHDI-UHFFFAOYSA-N	1	0	358.467	1.654	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(N2CCNC2=O)cc1	ZINC000905421726	851917829	/nfs/dbraw/zinc/91/78/29/851917829.db2.gz	ZJJREDZBWKBLGA-SFHVURJKSA-N	1	0	366.421	1.617	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)cc1	ZINC000905447677	851925940	/nfs/dbraw/zinc/92/59/40/851925940.db2.gz	SSVRQRRPEKXJAH-AAEUAGOBSA-N	1	0	368.302	1.640	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F	ZINC000913517458	862300348	/nfs/dbraw/zinc/30/03/48/862300348.db2.gz	BICFVTILXHETHM-UHFFFAOYSA-N	1	0	369.322	1.720	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1csc(CNC(=O)OC(C)(C)C)n1	ZINC000913518679	862301945	/nfs/dbraw/zinc/30/19/45/862301945.db2.gz	XERBGDOABGVFOD-UHFFFAOYSA-N	1	0	352.460	1.463	20	30		FDEDRO
Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCC#CC[NH+](C)C)ccc1[N+](=O)[O-]	ZINC000913518049	862302436	/nfs/dbraw/zinc/30/24/36/862302436.db2.gz	BLJCFMXYUWPZKC-QGZVFWFLSA-N	1	0	372.425	1.189	20	30		FDEDRO
Cn1cc(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)c(Br)n1	ZINC000905516305	852008709	/nfs/dbraw/zinc/00/87/09/852008709.db2.gz	KQZCXSBSCSTUOO-LBPRGKRZSA-N	1	0	357.252	1.344	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCCN1CC(F)(F)F	ZINC000905567127	852040802	/nfs/dbraw/zinc/04/08/02/852040802.db2.gz	YOPBCZGJMBZPBW-CABCVRRESA-N	1	0	357.376	1.914	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1	ZINC000668465612	852044843	/nfs/dbraw/zinc/04/48/43/852044843.db2.gz	IGPUQWZWIFEPIF-KRWDZBQOSA-N	1	0	370.497	1.977	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCN2C2CCOCC2)cc1	ZINC000905617790	852115547	/nfs/dbraw/zinc/11/55/47/852115547.db2.gz	DWIQMKKOEVWUCN-OALUTQOASA-N	1	0	359.470	1.335	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=S)NCCc2ccc3c(c2)OCCO3)CC1	ZINC000905657275	852124555	/nfs/dbraw/zinc/12/45/55/852124555.db2.gz	ISHSPWKFGXTJET-UHFFFAOYSA-N	1	0	359.495	1.562	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)COC2CC[NH+](C)CC2)c(C#N)cn1CC	ZINC000905967740	852445174	/nfs/dbraw/zinc/44/51/74/852445174.db2.gz	IAXBWGYYCWXKFA-UHFFFAOYSA-N	1	0	362.430	1.606	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1	ZINC000668526675	852662710	/nfs/dbraw/zinc/66/27/10/852662710.db2.gz	MDJMJZAZIRSMAX-RKVPGOIHSA-N	1	0	353.532	1.791	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@H]1COC(C)(C)C1)C(C)C	ZINC000668531988	852720778	/nfs/dbraw/zinc/72/07/78/852720778.db2.gz	QMEOFFJFKNZBGJ-CVEARBPZSA-N	1	0	351.491	1.485	20	30		FDEDRO
N#C[C@@]1(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)CC2CCC1CC2	ZINC000906511025	852954821	/nfs/dbraw/zinc/95/48/21/852954821.db2.gz	JOXLDFLVPHEQHX-OVSDUUTQSA-N	1	0	358.486	1.647	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1	ZINC000991479220	862425013	/nfs/dbraw/zinc/42/50/13/862425013.db2.gz	MVEOZVISDAFILQ-KSZLIROESA-N	1	0	363.502	1.558	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)cc1C(F)(F)F	ZINC000906766349	853287160	/nfs/dbraw/zinc/28/71/60/853287160.db2.gz	VHEWRWWEDRWJHK-INIZCTEOSA-N	1	0	366.343	1.870	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@H]1OC	ZINC001212146320	862482589	/nfs/dbraw/zinc/48/25/89/862482589.db2.gz	OJECAUULFLKTEP-GUDVDZBRSA-N	1	0	350.503	1.937	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)C1	ZINC000668584563	853645592	/nfs/dbraw/zinc/64/55/92/853645592.db2.gz	ZJHREZBQDVAYFW-MSOLQXFVSA-N	1	0	364.534	1.191	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@H]1CCN(C(=O)CCC[NH+](C)C)C1	ZINC001060256936	862492509	/nfs/dbraw/zinc/49/25/09/862492509.db2.gz	SPOCLOPRDHOHGO-LNLFQRSKSA-N	1	0	365.518	1.664	20	30		FDEDRO
C#Cc1ccc(S(=O)(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1	ZINC000907278402	853980641	/nfs/dbraw/zinc/98/06/41/853980641.db2.gz	FBKFLJVWADSPHN-IBGZPJMESA-N	1	0	370.474	1.713	20	30		FDEDRO
C=CCN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000486215190	853995396	/nfs/dbraw/zinc/99/53/96/853995396.db2.gz	AROBOVPJNAGDPW-HDMKZQKVSA-N	1	0	354.458	1.936	20	30		FDEDRO
O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc(C#CCO)c1	ZINC000907291062	854032476	/nfs/dbraw/zinc/03/24/76/854032476.db2.gz	HRIMSSKYSNNJPO-OAQYLSRUSA-N	1	0	364.445	1.527	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC2CC[NH+](C3CCOCC3)CC2)c(F)c1	ZINC000907328693	854083671	/nfs/dbraw/zinc/08/36/71/854083671.db2.gz	OOLDZIGZGQYCDQ-UHFFFAOYSA-N	1	0	367.446	1.619	20	30		FDEDRO
C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C(F)(F)c1ccccc1C#N	ZINC000907451665	854234809	/nfs/dbraw/zinc/23/48/09/854234809.db2.gz	FPCGBEMMWSSDMV-AWEZNQCLSA-N	1	0	350.413	1.792	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)c2cccc(C#N)c2)C1	ZINC000027246746	854395116	/nfs/dbraw/zinc/39/51/16/854395116.db2.gz	ILMDXXZVMKOANA-QGZVFWFLSA-N	1	0	359.426	1.188	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2=O)cc1	ZINC000907723344	854568279	/nfs/dbraw/zinc/56/82/79/854568279.db2.gz	ZVPQIXFDGBABCW-FHWLQOOXSA-N	1	0	366.465	1.792	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2=O)cc1	ZINC000907723346	854568745	/nfs/dbraw/zinc/56/87/45/854568745.db2.gz	ZVPQIXFDGBABCW-GBESFXJTSA-N	1	0	366.465	1.792	20	30		FDEDRO
O=C(C[C@H](n1ccnc1)C(F)(F)F)NCc1ccc(C(=O)NO)cc1	ZINC000907812042	854679544	/nfs/dbraw/zinc/67/95/44/854679544.db2.gz	HGUXJWILSVQISN-LBPRGKRZSA-N	1	0	356.304	1.812	20	30		FDEDRO
C#CCCCc1nnc(N2CCC[N@@H+](C3CCN(CC)CC3)CC2)n1C	ZINC000908532172	855539881	/nfs/dbraw/zinc/53/98/81/855539881.db2.gz	XTZYEJQUJGXNAX-UHFFFAOYSA-N	1	0	358.534	1.767	20	30		FDEDRO
C=CCn1c(-c2ccc(=O)n(C)c2)nnc1N1CC[NH+](C2CCCC2)CC1	ZINC000908734836	855729289	/nfs/dbraw/zinc/72/92/89/855729289.db2.gz	MURNRKASKUVRMM-UHFFFAOYSA-N	1	0	368.485	1.894	20	30		FDEDRO
N#C[C@H](CCc1ccccc1)C(=O)NCC(=O)NCC[NH+]1CCCCC1	ZINC000909317686	856400810	/nfs/dbraw/zinc/40/08/10/856400810.db2.gz	FPNXEHOIWVMBFV-SFHVURJKSA-N	1	0	356.470	1.477	20	30		FDEDRO
C=C(C)Cn1c(-c2cccnn2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000909301534	856414499	/nfs/dbraw/zinc/41/44/99/856414499.db2.gz	JZEIGHJRDMFBKM-INIZCTEOSA-N	1	0	369.473	1.612	20	30		FDEDRO
C=C(C)Cn1c(-c2cccnn2)nnc1N1CC[NH+](C2CCOCC2)CC1	ZINC000909301651	856414818	/nfs/dbraw/zinc/41/48/18/856414818.db2.gz	MVVYVLKFRFUGNW-UHFFFAOYSA-N	1	0	369.473	1.612	20	30		FDEDRO
Cc1ccc(C(=O)/C=C/C(=O)NCC(=O)NCC[NH+]2CCCCC2)cc1	ZINC000909314257	856432314	/nfs/dbraw/zinc/43/23/14/856432314.db2.gz	YCCZDNQZYVOBNB-MDZDMXLPSA-N	1	0	357.454	1.452	20	30		FDEDRO
C#CCCCc1nnc(N(C)[C@H]2CC[N@@H+](C3CC3)C2)n1C[C@@H]1CCOC1	ZINC000910141561	856899592	/nfs/dbraw/zinc/89/95/92/856899592.db2.gz	HCEGJJWLDDNZCX-WMZOPIPTSA-N	1	0	357.502	1.943	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1	ZINC000668814978	856989237	/nfs/dbraw/zinc/98/92/37/856989237.db2.gz	ZUPYMPRMXRZYAD-MJGOQNOKSA-N	1	0	373.497	1.865	20	30		FDEDRO
C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N(C)Cc1cc(C#N)cs1	ZINC000910603875	857401110	/nfs/dbraw/zinc/40/11/10/857401110.db2.gz	WGUCERBMQGXMCL-ZDUSSCGKSA-N	1	0	362.499	1.767	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N1CCC(CC)([NH+]2CCCCC2)CC1	ZINC000910695344	857534615	/nfs/dbraw/zinc/53/46/15/857534615.db2.gz	PYQWTOHZFQJUIW-UHFFFAOYSA-N	1	0	365.518	1.905	20	30		FDEDRO
CC[C@]1(C)CCN(C(=O)C(=O)N(c2ccc(C#N)cn2)[C@H]2CCC[NH2+]C2)C1	ZINC000910858673	857787743	/nfs/dbraw/zinc/78/77/43/857787743.db2.gz	RNBREBDGUGRNBH-OXJNMPFZSA-N	1	0	369.469	1.687	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CCOC2(CCCCC2)C1)C1CC[NH+](C)CC1	ZINC000910885205	857835492	/nfs/dbraw/zinc/83/54/92/857835492.db2.gz	HWFNITKPIRMETP-UHFFFAOYSA-N	1	0	361.486	1.104	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CCO[C@@H](c2ccccc2)C1)C1CC[NH+](C)CC1	ZINC000910886355	857839919	/nfs/dbraw/zinc/83/99/19/857839919.db2.gz	UDRDKQFDAFTYQD-LJQANCHMSA-N	1	0	369.465	1.143	20	30		FDEDRO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2	ZINC000911046035	858083414	/nfs/dbraw/zinc/08/34/14/858083414.db2.gz	AXTGATPYWSSWLI-WAOWUJCRSA-N	1	0	355.482	1.938	20	30		FDEDRO
C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1	ZINC000669333345	863000534	/nfs/dbraw/zinc/00/05/34/863000534.db2.gz	NAPTWHQGWQFQTL-HNNXBMFYSA-N	1	0	370.505	1.960	20	30		FDEDRO
CCCCCCCCNC(=O)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1	ZINC000911268848	858384724	/nfs/dbraw/zinc/38/47/24/858384724.db2.gz	RTKOEIWUSKSQIW-MRXNPFEDSA-N	1	0	353.507	1.738	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)c1	ZINC000911402728	858589697	/nfs/dbraw/zinc/58/96/97/858589697.db2.gz	JHEFOJHLWBNIMB-UHFFFAOYSA-N	1	0	368.412	1.691	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)cc1C#N	ZINC000911432955	858614497	/nfs/dbraw/zinc/61/44/97/858614497.db2.gz	UXBUYSMDWUMALB-UHFFFAOYSA-N	1	0	350.422	1.470	20	30		FDEDRO
C=CCCCCNC(=O)C(=O)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21	ZINC000911582334	858811027	/nfs/dbraw/zinc/81/10/27/858811027.db2.gz	PVVBHFKRFAJVJU-JXFKEZNVSA-N	1	0	357.454	1.831	20	30		FDEDRO
C#CCN(C(=O)NCC(=O)N1CCc2ccccc21)C1CC[NH+](C)CC1	ZINC000916121020	881378496	/nfs/dbraw/zinc/37/84/96/881378496.db2.gz	GVNATWZFYDVWNJ-UHFFFAOYSA-N	1	0	354.454	1.315	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1cnn(-c2ncccc2C#N)c1	ZINC000763356986	881389624	/nfs/dbraw/zinc/38/96/24/881389624.db2.gz	GWNBZCMCIJAFRC-HNNXBMFYSA-N	1	0	355.471	1.910	20	30		FDEDRO
C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2C[C@@H]2C[NH3+])nc1C	ZINC000912215197	859460205	/nfs/dbraw/zinc/46/02/05/859460205.db2.gz	SPHBZBFINBXKKH-RKDXNWHRSA-N	1	0	350.473	1.718	20	30		FDEDRO
C=CCn1c(-c2cc[nH]n2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C	ZINC000669030266	860281789	/nfs/dbraw/zinc/28/17/89/860281789.db2.gz	ZTSVDUODOWTYNG-AWEZNQCLSA-N	1	0	357.462	1.544	20	30		FDEDRO
COc1ccc(C(=O)N[C@@H]2CN(Cc3cccc(C#N)c3)C[C@@H]2O)c(C)c1	ZINC001083744987	881524192	/nfs/dbraw/zinc/52/41/92/881524192.db2.gz	MGRHDKOKVJOZKT-UXHICEINSA-N	1	0	365.433	1.850	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C=C(C)C)C[C@H]1C	ZINC001105787743	863182254	/nfs/dbraw/zinc/18/22/54/863182254.db2.gz	XIUJPCAIWLFHAK-RBSFLKMASA-N	1	0	350.463	1.037	20	30		FDEDRO
CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cc(C#N)ccc2F)[C@H](C)C1	ZINC001105793458	863217511	/nfs/dbraw/zinc/21/75/11/863217511.db2.gz	HBHAJQRRYMMYBZ-IIYDPXPESA-N	1	0	360.433	1.406	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000249793187	863253004	/nfs/dbraw/zinc/25/30/04/863253004.db2.gz	VXNVOPKTVRYUON-IRXDYDNUSA-N	1	0	370.501	1.905	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCCOC)C1	ZINC001112101340	863286257	/nfs/dbraw/zinc/28/62/57/863286257.db2.gz	JGPMLRHVQSHUJI-ZIAGYGMSSA-N	1	0	350.381	1.432	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2C[C@H](C[C@@H]3COCC[NH2+]3)c3ccccc32)o1	ZINC000923745518	863314579	/nfs/dbraw/zinc/31/45/79/863314579.db2.gz	UXXHOFKSYXUOMT-UONOGXRCSA-N	1	0	373.434	1.822	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CSC(C)C)C[C@H]1C	ZINC001105842370	863442193	/nfs/dbraw/zinc/44/21/93/863442193.db2.gz	BAHDYKKDBGJGQA-HZPDHXFCSA-N	1	0	368.547	1.574	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]C[C@H](O)Cc1ccccc1	ZINC001105846324	863475894	/nfs/dbraw/zinc/47/58/94/863475894.db2.gz	RMLFOJJQGYEQRD-KBAYOESNSA-N	1	0	361.511	1.531	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C)C(=O)NC(C)(C)C	ZINC001105850622	863489204	/nfs/dbraw/zinc/48/92/04/863489204.db2.gz	RKNVZJLMJXOMQJ-MGPQQGTHSA-N	1	0	354.520	1.230	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]Cc1nnc(C(C)(C)C)[nH]1	ZINC001105848994	863495808	/nfs/dbraw/zinc/49/58/08/863495808.db2.gz	AIAPEGZDUUUKDG-CHWSQXEVSA-N	1	0	364.519	1.543	20	30		FDEDRO
C[C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001105867100	863553391	/nfs/dbraw/zinc/55/33/91/863553391.db2.gz	BCEQYMPONJLHGI-CRAIPNDOSA-N	1	0	371.456	1.388	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cnsn2)C[C@H]1C	ZINC001105868116	863556941	/nfs/dbraw/zinc/55/69/41/863556941.db2.gz	DVDTUJNVWNWWKZ-ZIAGYGMSSA-N	1	0	363.487	1.036	20	30		FDEDRO
COc1cccc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CSCC#N)C2)n1	ZINC001111600591	863757982	/nfs/dbraw/zinc/75/79/82/863757982.db2.gz	YHKZQHWGJQGPHQ-KSSFIOAISA-N	1	0	360.483	1.818	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000761021027	863780579	/nfs/dbraw/zinc/78/05/79/863780579.db2.gz	ZKUWOHQLJZRIFJ-UKRRQHHQSA-N	1	0	360.389	1.410	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)nc1	ZINC000916521061	881710133	/nfs/dbraw/zinc/71/01/33/881710133.db2.gz	SIAWZKWUDMYXSH-UHFFFAOYSA-N	1	0	372.473	1.119	20	30		FDEDRO
CC#CC[C@H](CO)[NH2+]Cc1cn(C)nc1CN1C(=O)c2ccccc2C1=O	ZINC000641767418	863979131	/nfs/dbraw/zinc/97/91/31/863979131.db2.gz	KRGKWFIQENJEMM-OAHLLOKOSA-N	1	0	366.421	1.080	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CCOc2ccc(OC)cc2)[C@H](C)C1	ZINC001105937801	864130367	/nfs/dbraw/zinc/13/03/67/864130367.db2.gz	GFNADJWNLWVWJB-IAGOWNOFSA-N	1	0	362.470	1.961	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)c2ccccc2F)[C@H](C)C1	ZINC001105938742	864133512	/nfs/dbraw/zinc/13/35/12/864133512.db2.gz	XWWRYDQPFOZQAU-IIDMSEBBSA-N	1	0	350.434	1.746	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC(C)C)C2CC2)[C@H](C)C1	ZINC001105941929	864153742	/nfs/dbraw/zinc/15/37/42/864153742.db2.gz	QPUNBZRCUMCBJW-IAGOWNOFSA-N	1	0	365.518	1.520	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCCCC2)[C@H](C)C1	ZINC001105942928	864164054	/nfs/dbraw/zinc/16/40/54/864164054.db2.gz	QMIRQBCPGQLUCS-IAGOWNOFSA-N	1	0	351.491	1.276	20	30		FDEDRO
Cc1ccccc1CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C	ZINC001105951949	864211527	/nfs/dbraw/zinc/21/15/27/864211527.db2.gz	OJIYMABCPSUDIF-ZHALLVOQSA-N	1	0	370.497	1.498	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CC(F)(F)C2)C[C@H]1C	ZINC001105999483	864455366	/nfs/dbraw/zinc/45/53/66/864455366.db2.gz	MEEVGHXOXFRULC-GDBMZVCRSA-N	1	0	369.456	1.916	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC(C)(C)CC)C[C@H]1OC	ZINC001212185635	864627334	/nfs/dbraw/zinc/62/73/34/864627334.db2.gz	ZOTJDHRGHBJFLA-ARFHVFGLSA-N	1	0	351.491	1.299	20	30		FDEDRO
CC[C@@H](SC)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CCC#N)[C@H](C)C1	ZINC001106012535	864645407	/nfs/dbraw/zinc/64/54/07/864645407.db2.gz	KOKKCXXIUYAOTP-BZUAXINKSA-N	1	0	368.547	1.574	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]CCCO[C@H]1CCOC1	ZINC001106015580	864654614	/nfs/dbraw/zinc/65/46/14/864654614.db2.gz	HJPITRLDMAJLPW-INMHGKMJSA-N	1	0	360.458	1.380	20	30		FDEDRO
Cc1nc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)n1	ZINC001106015946	864656016	/nfs/dbraw/zinc/65/60/16/864656016.db2.gz	NFUGOFSQKIEPDV-IUODEOHRSA-N	1	0	355.446	1.093	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]CCn1cc(Cl)cn1	ZINC001106016050	864656383	/nfs/dbraw/zinc/65/63/83/864656383.db2.gz	QGDGHANQUNEHKB-CHWSQXEVSA-N	1	0	360.849	1.734	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCNC2=O)CCN1CC#Cc1ccc(F)cc1	ZINC001088854958	864694564	/nfs/dbraw/zinc/69/45/64/864694564.db2.gz	IYXJVULLOINBEW-LIVBEALHSA-N	1	0	357.429	1.282	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCNC2=O)CCN1Cc1cc(F)ccc1C#N	ZINC001088855010	864696533	/nfs/dbraw/zinc/69/65/33/864696533.db2.gz	LQZFGFHOJAYOJJ-GFJSAUFNSA-N	1	0	358.417	1.303	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+][C@H](C)c2nnnn2C2CC2)[C@H](C)C1	ZINC001106025641	864814445	/nfs/dbraw/zinc/81/44/45/864814445.db2.gz	ARSVKFVZMYPBEY-BZUAXINKSA-N	1	0	358.490	1.947	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](CC)[NH+](C)C)cc1	ZINC001004871556	881805601	/nfs/dbraw/zinc/80/56/01/881805601.db2.gz	URYPZHRZPNUCOE-YRXWBPOGSA-N	1	0	353.466	1.870	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(OC)c2)[C@H](C)C1	ZINC001106029384	864879206	/nfs/dbraw/zinc/87/92/06/864879206.db2.gz	OSHWFFAEUYBUIY-NVXWUHKLSA-N	1	0	357.454	1.019	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]CCCc2ccsc2)[C@H](C)C1	ZINC001106034632	864913840	/nfs/dbraw/zinc/91/38/40/864913840.db2.gz	JCZCJBUZFDQTSH-NVXWUHKLSA-N	1	0	361.511	1.504	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cncnc2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106036557	864928739	/nfs/dbraw/zinc/92/87/39/864928739.db2.gz	ICDNLNFKKDAMJI-CRAIPNDOSA-N	1	0	352.413	1.965	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106053106	865028759	/nfs/dbraw/zinc/02/87/59/865028759.db2.gz	INAFMQSXIRYFJV-SJLPKXTDSA-N	1	0	369.444	1.543	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)C2CN(C(C)=O)C2)C[C@H]1C	ZINC001106056563	865045659	/nfs/dbraw/zinc/04/56/59/865045659.db2.gz	XAFXUIKJCANMNA-ZWNOBZJWSA-N	1	0	358.280	1.057	20	30		FDEDRO
CC(=O)N1CC(C(=O)N2C[C@@H](C[NH2+]CC#Cc3ccccc3)[C@H](C)C2)C1	ZINC001106056392	865049653	/nfs/dbraw/zinc/04/96/53/865049653.db2.gz	OIEMZFJDBMQNHB-VQIMIIECSA-N	1	0	353.466	1.201	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]Cc2nnc(OCC)s2)[C@H](C)C1	ZINC001106056773	865058028	/nfs/dbraw/zinc/05/80/28/865058028.db2.gz	FUSUDBLQOAERMC-ZIAGYGMSSA-N	1	0	350.488	1.924	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C(C)C)C(C)C)[C@H](C)C1	ZINC001106059465	865069759	/nfs/dbraw/zinc/06/97/59/865069759.db2.gz	VMLVSVOGCOPPDH-MBOZVWFJSA-N	1	0	367.534	1.643	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2cc(CO)ccc2F)[C@H](C)C1	ZINC001106064792	865103110	/nfs/dbraw/zinc/10/31/10/865103110.db2.gz	IFLDOBNOLVLKDF-WIBUTAKZSA-N	1	0	364.461	1.829	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CCCCCn2cncn2)[C@H](C)C1	ZINC001106064770	865109265	/nfs/dbraw/zinc/10/92/65/865109265.db2.gz	HXIXOSQOOPXHIV-LMMKCTJWSA-N	1	0	363.506	1.460	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)COC2CCOCC2)[C@H](C)C1	ZINC001106066169	865123734	/nfs/dbraw/zinc/12/37/34/865123734.db2.gz	XAADHDSHVAKXOH-KURKYZTESA-N	1	0	366.502	1.031	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C3CC3)s2)C[C@H]1C	ZINC001106875227	881865494	/nfs/dbraw/zinc/86/54/94/881865494.db2.gz	HHIJCTSOGGQNMO-UKRRQHHQSA-N	1	0	359.495	1.673	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](CCc3cnn(C)c3)[C@@H]2C)nn1	ZINC001088910708	865395548	/nfs/dbraw/zinc/39/55/48/865395548.db2.gz	BPRBZBBKVKJGAW-ZBFHGGJFSA-N	1	0	357.462	1.023	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C[NH2+]CC#Cc1cccc(Cl)c1	ZINC001106075605	865459816	/nfs/dbraw/zinc/45/98/16/865459816.db2.gz	KYFMYZVDKNVLEU-GDBMZVCRSA-N	1	0	371.872	1.818	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCC(F)(F)C3)C[C@@H]2O)nn1	ZINC001083849042	881900018	/nfs/dbraw/zinc/90/00/18/881900018.db2.gz	LBUZECLCLCVKJU-GUTXKFCHSA-N	1	0	369.416	1.065	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+](CCn2cncn2)[C@@H]1C	ZINC001088969447	865794512	/nfs/dbraw/zinc/79/45/12/865794512.db2.gz	XRRDATUGFABPBT-CABCVRRESA-N	1	0	356.430	1.131	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1Cc1cc(F)ccc1C#N	ZINC001088983233	865911545	/nfs/dbraw/zinc/91/15/45/865911545.db2.gz	NABHVDMDCLYSFH-KDOFPFPSSA-N	1	0	356.445	1.872	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCc3cnn(CC)c3)[C@@H]2C)nc1	ZINC001088990532	865949064	/nfs/dbraw/zinc/94/90/64/865949064.db2.gz	BVPAHPLISBPHNG-QAPCUYQASA-N	1	0	351.454	1.715	20	30		FDEDRO
CC[NH+](CC)[C@H]1CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1	ZINC000173466305	865973488	/nfs/dbraw/zinc/97/34/88/865973488.db2.gz	QQNOLCWJTKVFGL-FXAWDEMLSA-N	1	0	369.469	1.699	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](C[C@@H]2CCNC(=O)CC2)[C@@H]1C	ZINC001089006687	866051639	/nfs/dbraw/zinc/05/16/39/866051639.db2.gz	SDIFFDCOAUIJIO-UWVAXJGDSA-N	1	0	367.493	1.706	20	30		FDEDRO
COCCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)cn1	ZINC001089010061	866073271	/nfs/dbraw/zinc/07/32/71/866073271.db2.gz	IJVCRXIWCJGWMV-BEFAXECRSA-N	1	0	367.453	1.794	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@H]1OC	ZINC001212194774	866269336	/nfs/dbraw/zinc/26/93/36/866269336.db2.gz	WSIIGJFKTODGSN-GGPKGHCWSA-N	1	0	362.470	1.346	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@H](OC)C1	ZINC000946769964	881987422	/nfs/dbraw/zinc/98/74/22/881987422.db2.gz	HPCSUNMIDPZRIP-NWANDNLSSA-N	1	0	371.909	1.591	20	30		FDEDRO
C[N@H+](Cc1ccccc1)C1(CNC(=O)CNc2ccc(C#N)cn2)CCC1	ZINC000456127127	866719524	/nfs/dbraw/zinc/71/95/24/866719524.db2.gz	YWPNJDWOVNZUDM-UHFFFAOYSA-N	1	0	363.465	2.536	20	30		FDEDRO
CO[C@]1(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CCOC1	ZINC000462355910	867942859	/nfs/dbraw/zinc/94/28/59/867942859.db2.gz	HAGWVZJQTOPTNI-IBGZPJMESA-N	1	0	360.458	1.437	20	30		FDEDRO
COCc1cccc(CNC(=O)CON=C(N)C[N@@H+]2CCCC[C@H]2C)c1	ZINC000151534849	868005160	/nfs/dbraw/zinc/00/51/60/868005160.db2.gz	NZHZUGVVCXEGOI-OAHLLOKOSA-N	1	0	362.474	1.612	20	30		FDEDRO
CNC(=O)c1ccc(C[NH2+]C[C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2C)cc1	ZINC001106098610	868037195	/nfs/dbraw/zinc/03/71/95/868037195.db2.gz	OUIAZVBOMGISLZ-VQIMIIECSA-N	1	0	355.482	1.890	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CC(F)F)[C@H](C)C1	ZINC001106099216	868046211	/nfs/dbraw/zinc/04/62/11/868046211.db2.gz	DKBKJPNVMZNDPY-ZIAGYGMSSA-N	1	0	353.417	1.387	20	30		FDEDRO
C#CCCCCCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001061621456	882147879	/nfs/dbraw/zinc/14/78/79/882147879.db2.gz	WESYKBUGLFXKET-KZNAEPCWSA-N	1	0	363.502	1.254	20	30		FDEDRO
COc1ccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)cc1	ZINC001106101025	868087723	/nfs/dbraw/zinc/08/77/23/868087723.db2.gz	FESKTMNQEYWVRR-NVXWUHKLSA-N	1	0	369.465	1.731	20	30		FDEDRO
NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@]12CCC[C@H]1[N@H+](CC#Cc1ccc(F)cc1)CC2	ZINC000992177284	868172202	/nfs/dbraw/zinc/17/22/02/868172202.db2.gz	JNSODNBXZLUUOH-IIMDRIAPSA-N	1	0	369.440	1.412	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C(N)=O)cc2)[C@H](C)C1	ZINC001106110725	868380801	/nfs/dbraw/zinc/38/08/01/868380801.db2.gz	CVRSDVJFVIYZBY-IIDMSEBBSA-N	1	0	357.454	1.008	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@]3(NC(=O)[C@H]4C[C@H]4C(N)=O)CCC[C@@H]23)c(F)c1	ZINC000992211693	868382961	/nfs/dbraw/zinc/38/29/61/868382961.db2.gz	RWRLZEXMSWZDHV-DOHHPOSVSA-N	1	0	370.428	1.432	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cccc(C)c2)[C@H](C)C1	ZINC001106111473	868391214	/nfs/dbraw/zinc/39/12/14/868391214.db2.gz	NAPKUIHMBKOLBM-KZNAEPCWSA-N	1	0	371.481	1.656	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccccc2C)[C@H](C)C1	ZINC001106111948	868394981	/nfs/dbraw/zinc/39/49/81/868394981.db2.gz	TZCUQPFJUVOEJC-FGTMMUONSA-N	1	0	371.481	1.656	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)c(C#N)c2)[C@H](C)C1	ZINC001106115276	868518719	/nfs/dbraw/zinc/51/87/19/868518719.db2.gz	RXRJDVKTARYIQC-CRAIPNDOSA-N	1	0	357.429	1.921	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1nccnc1C)CC2	ZINC000992239592	868548386	/nfs/dbraw/zinc/54/83/86/868548386.db2.gz	JVANRBFEZUIZFL-MJKGWSOKSA-N	1	0	356.470	1.989	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)N2CCCCC2)[C@H](C)C1	ZINC001106117494	868609646	/nfs/dbraw/zinc/60/96/46/868609646.db2.gz	RRAUDUWSITWIGP-FGTMMUONSA-N	1	0	363.502	1.111	20	30		FDEDRO
C#Cc1ccc(C(=O)NCC2CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC000992265346	868676148	/nfs/dbraw/zinc/67/61/48/868676148.db2.gz	VWMBGUDEFAUONT-LHUBUQBQSA-N	1	0	354.454	1.028	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)c1	ZINC000463980366	868760568	/nfs/dbraw/zinc/76/05/68/868760568.db2.gz	YKKYLMGHXQDQLZ-SFHVURJKSA-N	1	0	364.405	1.702	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CCS(=O)(=O)NC)C[C@H]1C	ZINC001106122959	868885952	/nfs/dbraw/zinc/88/59/52/868885952.db2.gz	IHRVUVZJLWUNPQ-HZPDHXFCSA-N	1	0	359.536	1.356	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1	ZINC000174719199	869050130	/nfs/dbraw/zinc/05/01/30/869050130.db2.gz	SAELAFMZAXHFKO-UHFFFAOYSA-N	1	0	373.428	1.863	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(CCOc3ccccc3F)C[C@@H]2O)cc1	ZINC001083691310	869088595	/nfs/dbraw/zinc/08/85/95/869088595.db2.gz	JDMRZFNMGLZRIC-MOPGFXCFSA-N	1	0	368.408	1.661	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H](OC)C3CCCC3)C[C@@H]2O)cc1	ZINC001083691429	869091804	/nfs/dbraw/zinc/09/18/04/869091804.db2.gz	ORWZYCSXZDJLTA-HSALFYBXSA-N	1	0	356.466	1.648	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)C3CCCCC3)C[C@@H]2O)cc1	ZINC001083691193	869093237	/nfs/dbraw/zinc/09/32/37/869093237.db2.gz	CUFIJYMARBJZHZ-AQNXPRMDSA-N	1	0	356.466	1.384	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cc1	ZINC000992402645	869226145	/nfs/dbraw/zinc/22/61/45/869226145.db2.gz	ZCYXFXNNHWACKY-RBUKOAKNSA-N	1	0	371.481	1.922	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)C(C)(C)[N@@H+](C)CC)C1	ZINC001060419601	869480668	/nfs/dbraw/zinc/48/06/68/869480668.db2.gz	DXHYTXKEEHXMSD-BBWFWOEESA-N	1	0	365.518	1.663	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)CCCC[NH+](C)C)C1	ZINC001060420134	869492534	/nfs/dbraw/zinc/49/25/34/869492534.db2.gz	MFCDEIMUNKOMSJ-KSZLIROESA-N	1	0	365.518	1.664	20	30		FDEDRO
C[NH+]1CCN(CCCCNS(=O)(=O)Cc2csc(C#N)c2)CC1	ZINC000913915742	869986470	/nfs/dbraw/zinc/98/64/70/869986470.db2.gz	MQPMMILIHOVDEE-UHFFFAOYSA-N	1	0	356.517	1.067	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNS(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)c1	ZINC000913946892	870086731	/nfs/dbraw/zinc/08/67/31/870086731.db2.gz	KOAZAERQMXNZJU-SFHVURJKSA-N	1	0	361.467	1.012	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@@]4(CNC(=O)C4)C3)C2=O)cc1	ZINC000492678624	870235769	/nfs/dbraw/zinc/23/57/69/870235769.db2.gz	FHUOGOAWSILDGK-FXAWDEMLSA-N	1	0	352.438	1.656	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1	ZINC000914023238	870395138	/nfs/dbraw/zinc/39/51/38/870395138.db2.gz	SDDHYICMZZKOTD-GPMSIDNRSA-N	1	0	359.470	1.479	20	30		FDEDRO
CCN1CC[NH+](CCCCNC(=O)N2C[C@@H](C)N(CC#N)[C@@H](C)C2)CC1	ZINC000914100572	870755225	/nfs/dbraw/zinc/75/52/25/870755225.db2.gz	HHXFOCDQXOCUPX-HDICACEKSA-N	1	0	364.538	1.032	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)[C@H](C)CC)C[C@]3(C)C2)CC1	ZINC000992620958	870888556	/nfs/dbraw/zinc/88/85/56/870888556.db2.gz	DMRAAQDZJBBIBQ-PLMTUMEDSA-N	1	0	359.514	1.685	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCO[C@H](C[NH+](C)C)C1	ZINC000914123534	870929553	/nfs/dbraw/zinc/92/95/53/870929553.db2.gz	VSQAOEIYBUQIEB-MRXNPFEDSA-N	1	0	351.472	1.267	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@]3(C)C2)c1	ZINC000992685418	871316220	/nfs/dbraw/zinc/31/62/20/871316220.db2.gz	BIAVXNPKQJNSJP-OPYAIIAOSA-N	1	0	366.465	1.078	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2nn(C)cc2Cl)C[C@H]1C	ZINC001106171258	871575606	/nfs/dbraw/zinc/57/56/06/871575606.db2.gz	PFXQVPXEKVAQSI-JHJVBQTASA-N	1	0	367.881	1.062	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1	ZINC001002872017	871606925	/nfs/dbraw/zinc/60/69/25/871606925.db2.gz	XWEIGQMBIAAEEP-SJORKVTESA-N	1	0	361.486	1.028	20	30		FDEDRO
CCC[C@H](C)CCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106178116	871624655	/nfs/dbraw/zinc/62/46/55/871624655.db2.gz	OCMONYRCSIKSIU-GVDBMIGSSA-N	1	0	350.507	1.917	20	30		FDEDRO
C#CCN(C(=O)NC[C@@H](CC(C)C)NC(=O)OCC)C1CC[NH+](C)CC1	ZINC000914207361	871848505	/nfs/dbraw/zinc/84/85/05/871848505.db2.gz	NBTBKOWEFPDALU-MRXNPFEDSA-N	1	0	366.506	1.886	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCC2CCN(CC(F)(F)F)CC2)CC1	ZINC000922107260	872072201	/nfs/dbraw/zinc/07/22/01/872072201.db2.gz	UZBNBODEHGHUFT-UHFFFAOYSA-N	1	0	360.424	1.658	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1	ZINC000914270904	872099482	/nfs/dbraw/zinc/09/94/82/872099482.db2.gz	ITJYXKJEOAOYDX-AEFFLSMTSA-N	1	0	359.470	1.906	20	30		FDEDRO
Cc1c2cc(C#N)ccc2sc1C(=O)NCC[N@@H+](C)CCOCCO	ZINC000922117160	872171415	/nfs/dbraw/zinc/17/14/15/872171415.db2.gz	ZTGYDEIIXDQYNL-UHFFFAOYSA-N	1	0	361.467	1.752	20	30		FDEDRO
C[N@H+](CC(=O)N1C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@]2(C)C1)C1CCC1	ZINC000992816698	872551383	/nfs/dbraw/zinc/55/13/83/872551383.db2.gz	OFAMAGQFFVKZIE-VLIAUNLRSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cnc3ccccc3c2O)[C@H](OC)C1	ZINC001212499161	872598536	/nfs/dbraw/zinc/59/85/36/872598536.db2.gz	OJOQVOQQBDRTML-QZTJIDSGSA-N	1	0	355.438	1.923	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C2CCC(C(N)=O)CC2)[C@H](OC)C1	ZINC001212499472	872603478	/nfs/dbraw/zinc/60/34/78/872603478.db2.gz	XNRXVMFYWQOKMC-OPQOLIRYSA-N	1	0	365.518	1.840	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C3)cn1	ZINC001003152309	872674684	/nfs/dbraw/zinc/67/46/84/872674684.db2.gz	XBOMRKRZCXXKLP-PYJZQUQOSA-N	1	0	366.465	1.265	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C3)cc1	ZINC001003154383	872676932	/nfs/dbraw/zinc/67/69/32/872676932.db2.gz	CIKHRRCHWGXUKL-CBFGRJNTSA-N	1	0	365.477	1.870	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCOC(C)C)C2)nn1	ZINC001112541762	872846179	/nfs/dbraw/zinc/84/61/79/872846179.db2.gz	NKWTUOYTFUHNQQ-LPHOPBHVSA-N	1	0	361.490	1.721	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1	ZINC000992900723	873151288	/nfs/dbraw/zinc/15/12/88/873151288.db2.gz	YZOFYJKZKGGPKD-NNMXDRDESA-N	1	0	371.525	1.970	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2conc2C)CC1	ZINC001003365158	873187783	/nfs/dbraw/zinc/18/77/83/873187783.db2.gz	IHOFVJXDUNULGF-NXHRZFHOSA-N	1	0	370.453	1.190	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](OC)C2CC2)CC1	ZINC001003366932	873221578	/nfs/dbraw/zinc/22/15/78/873221578.db2.gz	ZDHRSLHGLGZWIJ-AKHDSKFASA-N	1	0	373.497	1.005	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCC(=C)C)C[C@H]1C	ZINC001106192148	873258923	/nfs/dbraw/zinc/25/89/23/873258923.db2.gz	XZUYXQNYHZLMDC-OWCLPIDISA-N	1	0	364.490	1.427	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1	ZINC000992942240	873322918	/nfs/dbraw/zinc/32/29/18/873322918.db2.gz	NIRRLOIGFMLMKZ-LLGFUMIMSA-N	1	0	370.497	1.546	20	30		FDEDRO
C[C@@]12CN(C(=O)C#CC3CC3)C[C@@H]1CN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2	ZINC000992960014	873388716	/nfs/dbraw/zinc/38/87/16/873388716.db2.gz	OBLWCKQDDYAHST-LQWHRVPQSA-N	1	0	355.482	1.049	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1)OCC	ZINC001106197296	873455381	/nfs/dbraw/zinc/45/53/81/873455381.db2.gz	PFRXITWPTUUBLS-ZACQAIPSSA-N	1	0	366.506	1.067	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](C[NH2+]Cc2cn(CC)nn2)[C@H](C)C1)OCC	ZINC001106198530	873604368	/nfs/dbraw/zinc/60/43/68/873604368.db2.gz	DSYPHIFOXJGCKJ-NUJGCVRESA-N	1	0	363.506	1.853	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C3CC3)no1)C2	ZINC001112538090	873614850	/nfs/dbraw/zinc/61/48/50/873614850.db2.gz	OOTWVCIKZCLHBY-LIRRHRJNSA-N	1	0	371.441	1.024	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(OCCC)c2)C[C@H]1C	ZINC001106205161	873689024	/nfs/dbraw/zinc/68/90/24/873689024.db2.gz	FMZPHFOPOSIDMH-SJLPKXTDSA-N	1	0	371.481	1.523	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccsn2)C3)CC1	ZINC001003615076	873841727	/nfs/dbraw/zinc/84/17/27/873841727.db2.gz	QFPCNWYBEYQXPF-OIISXLGYSA-N	1	0	372.494	1.350	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1)C1CC[NH+](C)CC1	ZINC000922213939	873871097	/nfs/dbraw/zinc/87/10/97/873871097.db2.gz	SKKSVFCADGQFFZ-KRWDZBQOSA-N	1	0	372.517	1.436	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C3(CCOC)CC3)C[C@H]2C)C1=O	ZINC001106230521	874029074	/nfs/dbraw/zinc/02/90/74/874029074.db2.gz	UWZDKNSKMUEEQP-BRWVUGGUSA-N	1	0	363.502	1.274	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC3CCC3)[C@H](C)C2)CCC1	ZINC001106236284	874061846	/nfs/dbraw/zinc/06/18/46/874061846.db2.gz	IXIXZRIZLSVUMK-SJLPKXTDSA-N	1	0	359.514	1.780	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3ncnn3CCF)[C@H](C)C2)CCC1	ZINC001106236115	874062194	/nfs/dbraw/zinc/06/21/94/874062194.db2.gz	ARXLLPFTUVRHPB-HZPDHXFCSA-N	1	0	361.465	1.625	20	30		FDEDRO
N#CCCNC(=O)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1	ZINC000427857674	874145449	/nfs/dbraw/zinc/14/54/49/874145449.db2.gz	ZRYYIOASBSLMHG-UHFFFAOYSA-N	1	0	371.441	1.469	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCn2nc(C)cc2C)[C@H](C)C1	ZINC001106266627	874266740	/nfs/dbraw/zinc/26/67/40/874266740.db2.gz	UTAQFVRKHQHUQD-AHRSYUTCSA-N	1	0	371.529	1.282	20	30		FDEDRO
COC[C@@H](C)NC(=S)NN=Cc1ccc(OCC[NH+]2CCCC2)cc1	ZINC000914692022	874499429	/nfs/dbraw/zinc/49/94/29/874499429.db2.gz	LIEPRMZSQGOEDP-OAHLLOKOSA-N	1	0	364.515	1.994	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc3cccn3cn2)C[C@H]1C	ZINC001106305724	874668457	/nfs/dbraw/zinc/66/84/57/874668457.db2.gz	HVAJSTLFSPGCDP-BZUAXINKSA-N	1	0	369.469	1.323	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3cc(C)nc3C2)C[C@H]1C	ZINC001106317743	874760760	/nfs/dbraw/zinc/76/07/60/874760760.db2.gz	RBMCNKGCDZFLAE-KBAYOESNSA-N	1	0	358.486	1.088	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2(C(F)(F)F)CCC2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106323862	874779048	/nfs/dbraw/zinc/77/90/48/874779048.db2.gz	AJQGMZJMYDNINX-VXGBXAGGSA-N	1	0	360.380	1.043	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](CC)C(N)=O)[C@H](C)C2)cc1	ZINC001106330906	874802719	/nfs/dbraw/zinc/80/27/19/874802719.db2.gz	HHYVTKIRENXQDU-KYJSFNMBSA-N	1	0	359.470	1.813	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]C[C@@H](O)COC)[C@H](C)C2)cc1	ZINC001106331102	874803282	/nfs/dbraw/zinc/80/32/82/874803282.db2.gz	MZDYTHSGJMGSKW-KBAYOESNSA-N	1	0	362.470	1.556	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCC3)[C@H](C)C2)cc1	ZINC001106331072	874803298	/nfs/dbraw/zinc/80/32/98/874803298.db2.gz	LRIZZNOZBNDXEK-SJLPKXTDSA-N	1	0	371.481	1.781	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2OCC=C)C[C@H]1C	ZINC001106331395	874805141	/nfs/dbraw/zinc/80/51/41/874805141.db2.gz	XVXQBOZPNGZRFE-IAGOWNOFSA-N	1	0	371.481	1.851	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C	ZINC001106346817	874862495	/nfs/dbraw/zinc/86/24/95/874862495.db2.gz	UTCOESLTECPWNN-HZPDHXFCSA-N	1	0	351.495	1.236	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COC2CCCCC2)C[C@H]1C	ZINC001106355772	874887820	/nfs/dbraw/zinc/88/78/20/874887820.db2.gz	SZIUHSCCUWZBNJ-HZPDHXFCSA-N	1	0	351.491	1.322	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2COC)C[C@H]1C	ZINC001106370222	874955274	/nfs/dbraw/zinc/95/52/74/874955274.db2.gz	IKGOFIFJJPKHGG-NVXWUHKLSA-N	1	0	359.470	1.433	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2sccc2-n2cnnn2)C[C@H]1C	ZINC001106373894	874960760	/nfs/dbraw/zinc/96/07/60/874960760.db2.gz	RJEKGMREAIYWEF-ZIAGYGMSSA-N	1	0	360.487	1.988	20	30		FDEDRO
CC1(C)CC(C[N@@H+]2C[C@@H](NC(=O)CSCC#N)[C@@H](n3ccnn3)C2)C1	ZINC001128724171	882881657	/nfs/dbraw/zinc/88/16/57/882881657.db2.gz	SXVIMLQWDAMISW-CABCVRRESA-N	1	0	362.503	1.313	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3cnccc3o2)C[C@H]1C	ZINC001106378473	874990673	/nfs/dbraw/zinc/99/06/73/874990673.db2.gz	UCWOZQMGVKVIMG-UKRRQHHQSA-N	1	0	356.426	1.428	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(OC)cc2F)C[C@H]1C	ZINC001106383940	875019706	/nfs/dbraw/zinc/01/97/06/875019706.db2.gz	PWMNBFOCJQQMPE-ZIAGYGMSSA-N	1	0	363.433	1.434	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1	ZINC000993156838	875088881	/nfs/dbraw/zinc/08/88/81/875088881.db2.gz	OZGBHVJOOCPKRF-UXPWSPDFSA-N	1	0	359.514	1.991	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2ccc(C)cc2)C[C@H]1C	ZINC001106399962	875096225	/nfs/dbraw/zinc/09/62/25/875096225.db2.gz	AOEVBCHNMPQSLL-WSTZPKSXSA-N	1	0	369.509	1.750	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3c2CCOC3)C[C@H]1C	ZINC001106411960	875158483	/nfs/dbraw/zinc/15/84/83/875158483.db2.gz	CCLFMEQCQPAXBD-NVXWUHKLSA-N	1	0	371.481	1.359	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(F)c[nH]2)C[C@H]1C	ZINC001106444041	875324250	/nfs/dbraw/zinc/32/42/50/875324250.db2.gz	DDZJOXXBHYJOBH-ZIAGYGMSSA-N	1	0	363.437	1.214	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)c(C)cn2)C[C@H]1C	ZINC001106461000	875446152	/nfs/dbraw/zinc/44/61/52/875446152.db2.gz	FQKAAHUDWPCIHA-IXDOHACOSA-N	1	0	358.486	1.687	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2nccc3occc32)C[C@H]1C	ZINC001106460987	875446632	/nfs/dbraw/zinc/44/66/32/875446632.db2.gz	DTHWLBKOJGKLSA-RBSFLKMASA-N	1	0	370.453	1.816	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@H]1C	ZINC001106465111	875505971	/nfs/dbraw/zinc/50/59/71/875505971.db2.gz	ILLOSMVINKAINN-HCKVZZMMSA-N	1	0	358.280	1.105	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cn(C)nc2-c2ccoc2)C[C@H]1C	ZINC001106467109	875521710	/nfs/dbraw/zinc/52/17/10/875521710.db2.gz	DTVSRVFYYIELIA-NVXWUHKLSA-N	1	0	370.453	1.628	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C3(CCF)CC3)C[C@H]2C)C1=O	ZINC001106471033	875544946	/nfs/dbraw/zinc/54/49/46/875544946.db2.gz	PGNUCTMWRXRXNU-BZUAXINKSA-N	1	0	351.466	1.597	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)C1	ZINC000762231426	875546380	/nfs/dbraw/zinc/54/63/80/875546380.db2.gz	BOKGGESBAVSLCT-KRWDZBQOSA-N	1	0	358.438	1.726	20	30		FDEDRO
COC[C@@]1(C(=O)N2C[C@@H](C[NH2+]Cc3cccc(C#N)c3)[C@H](C)C2)CCOC1	ZINC001106486627	875643979	/nfs/dbraw/zinc/64/39/79/875643979.db2.gz	BFQMDQCIENLATO-BSIFCXSSSA-N	1	0	371.481	1.795	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cnc3onc(C)c3c2)C[C@H]1C	ZINC001106506733	875753298	/nfs/dbraw/zinc/75/32/98/875753298.db2.gz	PTFRACQDEWUPGJ-IUODEOHRSA-N	1	0	371.441	1.131	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH]ncc32)C[C@H]1C	ZINC001106505066	875754831	/nfs/dbraw/zinc/75/48/31/875754831.db2.gz	CHPCEIRQRJKPTG-ZIAGYGMSSA-N	1	0	355.442	1.163	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@@H]2CCOC2)[C@H](C)C1	ZINC001106518300	875815831	/nfs/dbraw/zinc/81/58/31/875815831.db2.gz	LBZYXSCTMOJWOK-IXDOHACOSA-N	1	0	365.518	1.426	20	30		FDEDRO
C[C@@H](CC(N)=O)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)c(C#N)c2)[C@H](C)C1	ZINC001106522385	875828672	/nfs/dbraw/zinc/82/86/72/875828672.db2.gz	LKKHDILHNOZHIA-WOSRLPQWSA-N	1	0	360.433	1.393	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC3(CC2)C[C@@H](O)CCO3)CC1	ZINC000917097968	882966756	/nfs/dbraw/zinc/96/67/56/882966756.db2.gz	OQBFKIOHGUKFPT-KRWDZBQOSA-N	1	0	351.491	1.742	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)CC1	ZINC000917097752	882966825	/nfs/dbraw/zinc/96/68/25/882966825.db2.gz	IHJGWQQZAOLXDC-OAHLLOKOSA-N	1	0	368.478	1.877	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NCCCOC)[C@H](C)C1	ZINC001106530610	875862749	/nfs/dbraw/zinc/86/27/49/875862749.db2.gz	JJIUDVLIEABMIS-OWCLPIDISA-N	1	0	353.507	1.424	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](F)C(C)C)C[C@H]1C	ZINC001106548556	875936490	/nfs/dbraw/zinc/93/64/90/875936490.db2.gz	FRLUXVLQGWTKPW-BFYDXBDKSA-N	1	0	354.470	1.427	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]CCNC(=O)NC(C)(C)C)[C@H](C)C1	ZINC001106559277	875966416	/nfs/dbraw/zinc/96/64/16/875966416.db2.gz	MPJAJFRQOLLDGY-IAGOWNOFSA-N	1	0	364.534	1.962	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@H]2CCCO2)[C@H](C)C1	ZINC001106559250	875966657	/nfs/dbraw/zinc/96/66/57/875966657.db2.gz	KVQPFOWJICJACI-KZNAEPCWSA-N	1	0	363.502	1.159	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCOCCOC	ZINC001099234023	875973494	/nfs/dbraw/zinc/97/34/94/875973494.db2.gz	GCCOQYUHPLJQSZ-KURKYZTESA-N	1	0	368.518	1.847	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106579799	876024054	/nfs/dbraw/zinc/02/40/54/876024054.db2.gz	SWEKEUJLJPAWPF-WRWLIDTKSA-N	1	0	362.420	1.990	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc[nH]c2C2CC2)C[C@H]1C	ZINC001106588043	876041912	/nfs/dbraw/zinc/04/19/12/876041912.db2.gz	BOEBRIOTHXWYRE-IJEWVQPXSA-N	1	0	356.470	1.328	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CCC)c2ccccn2)C[C@H]1C	ZINC001106585584	876046006	/nfs/dbraw/zinc/04/60/06/876046006.db2.gz	KWHWCKZTTJDPAX-KZNAEPCWSA-N	1	0	370.497	1.399	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCc3nn(C)cc32)C[C@H]1C	ZINC001106585967	876047562	/nfs/dbraw/zinc/04/75/62/876047562.db2.gz	PMUYQAHRFDFRAS-ZACQAIPSSA-N	1	0	358.486	1.174	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccnc2C)C[C@H]1C	ZINC001106602878	876124381	/nfs/dbraw/zinc/12/43/81/876124381.db2.gz	VVDCVAOABSVFNO-SJLPKXTDSA-N	1	0	370.497	1.888	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(F)c(C)c2)C[C@H]1C	ZINC001106612122	876197180	/nfs/dbraw/zinc/19/71/80/876197180.db2.gz	LZYFINSEVRGMSI-BFYDXBDKSA-N	1	0	359.445	1.570	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c(F)ccc(C)c2F)C[C@H]1C	ZINC001106623240	876254286	/nfs/dbraw/zinc/25/42/86/876254286.db2.gz	OLJVGRKLIVEFTO-ZIAGYGMSSA-N	1	0	363.408	1.320	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)[C@H](C)C2)CC1	ZINC001106629643	876277482	/nfs/dbraw/zinc/27/74/82/876277482.db2.gz	QZIXSKCCMSVFAH-HZSPNIEDSA-N	1	0	350.463	1.000	20	30		FDEDRO
C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O	ZINC001083733196	876305898	/nfs/dbraw/zinc/30/58/98/876305898.db2.gz	CWAGNMUOSRXMEL-MOPGFXCFSA-N	1	0	367.449	1.168	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]C[C@H]3CCS(=O)(=O)C3)[C@H](C)C2)CCC1	ZINC001106635892	876319319	/nfs/dbraw/zinc/31/93/19/876319319.db2.gz	JBLUEEIHBGGEOA-BRWVUGGUSA-N	1	0	368.543	1.852	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(C(C)C)CC2)C[C@H]1C	ZINC001106643697	876350981	/nfs/dbraw/zinc/35/09/81/876350981.db2.gz	AWLNHVUSPUPBEJ-HUUCEWRRSA-N	1	0	364.490	1.119	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]CC(=O)Nc3cnccn3)[C@H](C)C2)C1	ZINC001106647041	876380693	/nfs/dbraw/zinc/38/06/93/876380693.db2.gz	FQXOVSDRWUMRLH-HUUCEWRRSA-N	1	0	357.458	1.456	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC(C)C)[C@H](C)C2)c1	ZINC001106650590	876389476	/nfs/dbraw/zinc/38/94/76/876389476.db2.gz	UXWGCBNPUCNETD-CRAIPNDOSA-N	1	0	356.470	1.133	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccccc2C2(C)CC2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106657470	876425853	/nfs/dbraw/zinc/42/58/53/876425853.db2.gz	FMNBMCDXWQRVIY-HZPDHXFCSA-N	1	0	368.481	1.676	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(C)(C)C)[C@H](C)C1	ZINC001106680332	876547688	/nfs/dbraw/zinc/54/76/88/876547688.db2.gz	LCJSQOCOLABJMT-VQHPVUNQSA-N	1	0	365.518	1.424	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2[C@H]3CCCCCC[C@H]23)C[C@H]1C	ZINC001106699645	876608561	/nfs/dbraw/zinc/60/85/61/876608561.db2.gz	VZEMSPJWPUYEFK-BDXSIMOUSA-N	1	0	359.514	1.636	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4C[C@H]4C)C[C@]3(C)C2)CC1	ZINC000993232118	876630043	/nfs/dbraw/zinc/63/00/43/876630043.db2.gz	FAVQIKWJURRRDT-FLTJSSMESA-N	1	0	357.498	1.295	20	30		FDEDRO
N#Cc1cccc(CN2C[C@@H](NC(=O)c3ccc4n[nH]cc4c3)[C@@H](O)C2)c1	ZINC001083734998	877027015	/nfs/dbraw/zinc/02/70/15/877027015.db2.gz	GHIQOWMTLUTOJD-MOPGFXCFSA-N	1	0	361.405	1.410	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1	ZINC000915704068	877254783	/nfs/dbraw/zinc/25/47/83/877254783.db2.gz	OBLQDRDGXNWKKW-MRXNPFEDSA-N	1	0	365.499	1.304	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2ccnn2C)[C@H](C)C1	ZINC001106733487	877270713	/nfs/dbraw/zinc/27/07/13/877270713.db2.gz	WYMPUMITPWSDSS-QGPMSJSTSA-N	1	0	361.490	1.075	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2ncc(C)o2)[C@H](C)C1	ZINC001106733531	877270887	/nfs/dbraw/zinc/27/08/87/877270887.db2.gz	YLYZIAIXNGNWNV-XYPHTWIQSA-N	1	0	362.474	1.638	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnc(C3CC3)nc2)C[C@H]1C	ZINC001106736767	877320563	/nfs/dbraw/zinc/32/05/63/877320563.db2.gz	VCFWVKVQNCDGEV-CKEIUWERSA-N	1	0	371.485	1.342	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)C2CC2)C[C@H]1C	ZINC001106738088	877332407	/nfs/dbraw/zinc/33/24/07/877332407.db2.gz	CBTQLWAZUUIVRR-WQVCFCJDSA-N	1	0	353.894	1.824	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)c1ccc(C)o1)C2	ZINC001112542211	877339957	/nfs/dbraw/zinc/33/99/57/877339957.db2.gz	LJCGUEZPDDLVTG-FIKGOQFSSA-N	1	0	371.481	1.659	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1cccc(OCC#N)c1)[N@@H+]1CCCC[C@H]1C	ZINC000915766176	877341553	/nfs/dbraw/zinc/34/15/53/877341553.db2.gz	FPOXKLCTZDZIDM-HUUCEWRRSA-N	1	0	358.442	1.907	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1	ZINC000999188369	912224372	/nfs/dbraw/zinc/22/43/72/912224372.db2.gz	ZLBQIPPWMWZSFO-RAIGVLPGSA-N	1	0	358.280	1.390	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]CCO[C@@H]3CC3(F)F)[C@H](C)C2)nn1	ZINC001106743487	877425514	/nfs/dbraw/zinc/42/55/14/877425514.db2.gz	NELXQOILMWHLBP-UMVBOHGHSA-N	1	0	369.416	1.186	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]CCCOC(C)C)[C@H](C)C2)nn1	ZINC001106750183	877508224	/nfs/dbraw/zinc/50/82/24/877508224.db2.gz	RHZTXWZXWREOBI-IAGOWNOFSA-N	1	0	363.506	1.967	20	30		FDEDRO
CNC(=O)C1(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)s3)[C@H](C)C2)CC1	ZINC001106760115	877607185	/nfs/dbraw/zinc/60/71/85/877607185.db2.gz	QAWGJFBFWRSXEZ-CHWSQXEVSA-N	1	0	360.483	1.330	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(C)cc3cn[nH]c32)C[C@H]1C	ZINC001106763318	877619474	/nfs/dbraw/zinc/61/94/74/877619474.db2.gz	BKVQIZCHFNORAR-NVXWUHKLSA-N	1	0	354.454	1.819	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(OC)c(C)c2)C[C@H]1C	ZINC001106763876	877622251	/nfs/dbraw/zinc/62/22/51/877622251.db2.gz	WUCXXMDJSCXINO-SOLBZPMBSA-N	1	0	371.481	1.439	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)C[C@H](C)O3)C[C@H]1C	ZINC001106765318	877634821	/nfs/dbraw/zinc/63/48/21/877634821.db2.gz	WMYLVQGRNMRGBD-RVKKMQEKSA-N	1	0	371.481	1.610	20	30		FDEDRO
N#Cc1ccc(F)c(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)c1	ZINC000922343142	877801088	/nfs/dbraw/zinc/80/10/88/877801088.db2.gz	KERQENNOFUJXFO-MRXNPFEDSA-N	1	0	360.433	1.224	20	30		FDEDRO
C=C(C)Cn1c(COC)nnc1N1CCN(c2cc[nH+]cc2OC)CC1	ZINC000670231590	877939112	/nfs/dbraw/zinc/93/91/12/877939112.db2.gz	KCKSSWXZQLNPQZ-UHFFFAOYSA-N	1	0	358.446	1.731	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccnc4[nH]c(CC)nc43)[C@H]2C1	ZINC001083151416	912297436	/nfs/dbraw/zinc/29/74/36/912297436.db2.gz	XVBJHLBITSYIMC-LSDHHAIUSA-N	1	0	355.442	1.622	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCc2cccnc2)C[C@H]1C	ZINC001106807237	878086260	/nfs/dbraw/zinc/08/62/60/878086260.db2.gz	JKIMPVYGAZBXHK-SJLPKXTDSA-N	1	0	358.486	1.391	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2cn(CCC)nn2)C[C@H]1C	ZINC001106810202	878155198	/nfs/dbraw/zinc/15/51/98/878155198.db2.gz	XIXFSFZXPNCLFS-DGCLKSJQSA-N	1	0	370.295	1.894	20	30		FDEDRO
C=CCN(CCC#N)[C@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1	ZINC000428856806	878239138	/nfs/dbraw/zinc/23/91/38/878239138.db2.gz	PCIZMYIBOJTWAA-GOSISDBHSA-N	1	0	370.497	1.925	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)COC)C[C@H]1C	ZINC001106818914	878270351	/nfs/dbraw/zinc/27/03/51/878270351.db2.gz	FCKPHCPYEGOVLB-RCCFBDPRSA-N	1	0	367.534	1.768	20	30		FDEDRO
CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)C#Cc3ccc4c(c3)OCO4)CC2)CC1	ZINC000763232688	878278480	/nfs/dbraw/zinc/27/84/80/878278480.db2.gz	PLKGAJQTIYBTNP-HDICACEKSA-N	1	0	369.465	1.442	20	30		FDEDRO
Cc1onc(CC(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1C#N	ZINC000499926129	878542451	/nfs/dbraw/zinc/54/24/51/878542451.db2.gz	FYYUTJLWQRKFRW-GJZGRUSLSA-N	1	0	359.474	1.414	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCN(c2cccc3[nH]c(=O)[nH]c32)CC1	ZINC000922629409	878851331	/nfs/dbraw/zinc/85/13/31/878851331.db2.gz	KIIKGCFERGOBHJ-UHFFFAOYSA-N	1	0	370.457	1.055	20	30		FDEDRO
COc1ccc(CN2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C#N	ZINC001033092528	878875205	/nfs/dbraw/zinc/87/52/05/878875205.db2.gz	AOFQRNLOHYYZPO-ATZDWAIDSA-N	1	0	370.497	1.940	20	30		FDEDRO
C#Cc1cccc(CNC(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)c1	ZINC000922782306	879259302	/nfs/dbraw/zinc/25/93/02/879259302.db2.gz	HGIPLXILULPTDF-BNDYYXHWSA-N	1	0	355.482	1.947	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)c3ccoc3)[C@H](C)C2)CC1	ZINC000993755120	879424397	/nfs/dbraw/zinc/42/43/97/879424397.db2.gz	KNXGIARADFEEQN-CRAIPNDOSA-N	1	0	357.454	1.449	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c3ccccc3nn2C)C[C@H]1C	ZINC001106833396	879730020	/nfs/dbraw/zinc/73/00/20/879730020.db2.gz	DFDNMYKYKWOGKH-HUUCEWRRSA-N	1	0	369.469	1.173	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1	ZINC001004535766	879812735	/nfs/dbraw/zinc/81/27/35/879812735.db2.gz	MHGGIZWHTWIUCQ-KURKYZTESA-N	1	0	363.502	1.415	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)[C@H](C)C1	ZINC000993863346	879823546	/nfs/dbraw/zinc/82/35/46/879823546.db2.gz	GYAMDUZMCVCSIK-KYJSFNMBSA-N	1	0	371.485	1.585	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC000993864067	879823619	/nfs/dbraw/zinc/82/36/19/879823619.db2.gz	JEAZBPBHTYJFQO-NVXWUHKLSA-N	1	0	371.485	1.443	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccn2c(=O)[nH]nc12	ZINC000509084302	879927714	/nfs/dbraw/zinc/92/77/14/879927714.db2.gz	VHPGPQHCTTWPHG-UHFFFAOYSA-N	1	0	364.409	1.511	20	30		FDEDRO
C#CCCCCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001061520264	879993156	/nfs/dbraw/zinc/99/31/56/879993156.db2.gz	WBAFCYOGTYTXAR-OKZBNKHCSA-N	1	0	363.502	1.254	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2	ZINC001004664012	880029970	/nfs/dbraw/zinc/02/99/70/880029970.db2.gz	LNUNDGMFKXTHLM-JFOHDYCDSA-N	1	0	364.409	1.289	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(F)CCCCC2)C[C@H]1C	ZINC001106835037	880030763	/nfs/dbraw/zinc/03/07/63/880030763.db2.gz	BZUOIOOGQAFFCN-BZUAXINKSA-N	1	0	351.466	1.481	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC000993910200	880120112	/nfs/dbraw/zinc/12/01/12/880120112.db2.gz	XCTWBQZACZSAMK-FRFSOERESA-N	1	0	369.469	1.052	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)[C@H](C)C1	ZINC000993919632	880151778	/nfs/dbraw/zinc/15/17/78/880151778.db2.gz	VLGJDWUZDYFUKL-KYJSFNMBSA-N	1	0	371.485	1.585	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(-c4ccncc4)on3)[C@H]2C1	ZINC001083179400	912567708	/nfs/dbraw/zinc/56/77/08/912567708.db2.gz	VPDZBSOUWSYIDU-FUHWJXTLSA-N	1	0	354.410	1.838	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)[C@H](C)C2)cc1	ZINC000994040460	880503466	/nfs/dbraw/zinc/50/34/66/880503466.db2.gz	VCHJFMAHOGLQJD-ATZDWAIDSA-N	1	0	353.466	1.444	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)Cc2ccccc2)C[C@H]1C	ZINC001106842390	880659136	/nfs/dbraw/zinc/65/91/36/880659136.db2.gz	KNEXSNKGMZQKJC-IEBWSBKVSA-N	1	0	369.509	1.689	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCN(C(=O)CC)C2)C[C@H]1C	ZINC001106843974	880873097	/nfs/dbraw/zinc/87/30/97/880873097.db2.gz	PKWFNFRHGIJVNG-IXDOHACOSA-N	1	0	351.491	1.132	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)[C@@H](C)C(C)C)C[C@H]2C)CC1	ZINC000994139853	880908380	/nfs/dbraw/zinc/90/83/80/880908380.db2.gz	OBQQKOHNHRZHFW-ZIFCJYIRSA-N	1	0	361.530	1.834	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3c(C)cccc3C)C[C@@H]2O)nn1	ZINC001083846890	881196705	/nfs/dbraw/zinc/19/67/05/881196705.db2.gz	YHZQFFHFHUROEV-MJGOQNOKSA-N	1	0	369.469	1.446	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3ccccc3C)C[C@@H]2O)nn1	ZINC001083846865	881207054	/nfs/dbraw/zinc/20/70/54/881207054.db2.gz	WUZXMAJRQFQXOJ-WDYCEAGBSA-N	1	0	369.469	1.699	20	30		FDEDRO
O=C1Nc2cc(N3CCOCC3)ccc2C1=NNCC[NH+]1CCCCC1	ZINC000915973417	881262684	/nfs/dbraw/zinc/26/26/84/881262684.db2.gz	HXHDTPYYIHRQNR-UHFFFAOYSA-N	1	0	357.458	1.255	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC001005413114	883276080	/nfs/dbraw/zinc/27/60/80/883276080.db2.gz	VVWROXPYELEEJW-HYVNUMGLSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cncnc2C)[C@@H](n2ccnn2)C1	ZINC001128763401	883327646	/nfs/dbraw/zinc/32/76/46/883327646.db2.gz	DDRVRMCVJKZBHL-XKQJLSEDSA-N	1	0	355.446	1.387	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCc3ccccc32)C[C@@H]1n1ccnn1	ZINC001128811845	883700904	/nfs/dbraw/zinc/70/09/04/883700904.db2.gz	GJLLUDSURXMQPY-QRVBRYPASA-N	1	0	367.453	1.510	20	30		FDEDRO
Cc1cc(C)cc(C[N@H+]2C[C@@H](NC(=O)[C@H](C)C#N)[C@@H](n3ccnn3)C2)c1	ZINC001128825300	883746677	/nfs/dbraw/zinc/74/66/77/883746677.db2.gz	PBEABBQRXGGNAX-NXHRZFHOSA-N	1	0	352.442	1.596	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2ocnc2C)[C@@H](n2ccnn2)C1	ZINC001128855136	883836618	/nfs/dbraw/zinc/83/66/18/883836618.db2.gz	OXVBEYZKJUWHOF-CVEARBPZSA-N	1	0	358.446	1.976	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cccc(=O)[nH]2)[C@@H](n2ccnn2)C1	ZINC001128861112	883865220	/nfs/dbraw/zinc/86/52/20/883865220.db2.gz	TUDBEIXTAAKWRH-IMJJTQAJSA-N	1	0	356.430	1.389	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](CC/C=C/CC)C[C@@H]1n1ccnn1	ZINC001128869067	883873904	/nfs/dbraw/zinc/87/39/04/883873904.db2.gz	BEAIBUGCYIOBIV-VGRIIWOTSA-N	1	0	361.490	1.959	20	30		FDEDRO
C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1	ZINC001034257153	884008563	/nfs/dbraw/zinc/00/85/63/884008563.db2.gz	UOAXXRDMEZDIGA-KZNAEPCWSA-N	1	0	358.486	1.882	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2)C[C@@H]1n1ccnn1	ZINC001128939155	884195166	/nfs/dbraw/zinc/19/51/66/884195166.db2.gz	HUUUPKXFVHFWLT-MOPGFXCFSA-N	1	0	367.453	1.502	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cncnc2)[C@@H](n2ccnn2)C1	ZINC001128949281	884359059	/nfs/dbraw/zinc/35/90/59/884359059.db2.gz	KNHGHIQALMPKDD-UAGQMJEPSA-N	1	0	355.446	1.007	20	30		FDEDRO
C[N@H+]1C[C@]2(C)CN(S(=O)(=O)Cc3ccc(F)cc3C#N)C[C@]2(C)C1	ZINC000918360860	884369234	/nfs/dbraw/zinc/36/92/34/884369234.db2.gz	WFFBCBROIWQXOM-CALCHBBNSA-N	1	0	351.447	1.801	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCc2ccnn2C)C1	ZINC001034437526	884372883	/nfs/dbraw/zinc/37/28/83/884372883.db2.gz	AFYLSXLIDMNHTO-NEWSRXKRSA-N	1	0	360.502	1.915	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@@H]1n1ccnn1	ZINC001128961618	884484870	/nfs/dbraw/zinc/48/48/70/884484870.db2.gz	FYQUZKFMXNSPGV-GJYPPUQNSA-N	1	0	363.506	1.773	20	30		FDEDRO
COCCCCC[N@@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)[C@@H](n2ccnn2)C1	ZINC001128979811	884563138	/nfs/dbraw/zinc/56/31/38/884563138.db2.gz	AQAXFMBBNFELME-SJORKVTESA-N	1	0	361.490	1.486	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnnn2C)CC1	ZINC001034753439	884964297	/nfs/dbraw/zinc/96/42/97/884964297.db2.gz	OMXJMXTYGHJADI-LAQRGFTBSA-N	1	0	361.490	1.703	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)C[N@@H+](C)C(C)C)CC1	ZINC001078984671	884967655	/nfs/dbraw/zinc/96/76/55/884967655.db2.gz	SBQRWFIPGPUVIU-KSZLIROESA-N	1	0	365.518	1.757	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2ccncc2C)[C@@H](n2ccnn2)C1	ZINC001129003387	884988970	/nfs/dbraw/zinc/98/89/70/884988970.db2.gz	CLBULORIOHTJSY-QRQLOZEOSA-N	1	0	368.485	1.920	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCOCC)C[C@@H]1n1ccnn1	ZINC001129014730	885129879	/nfs/dbraw/zinc/12/98/79/885129879.db2.gz	PJJCEZHFJPLAMY-CABCVRRESA-N	1	0	369.897	1.825	20	30		FDEDRO
C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)c2ccc(CCC#N)cc2)C1	ZINC000918972776	885132026	/nfs/dbraw/zinc/13/20/26/885132026.db2.gz	SVSNTCCBZNAPPN-QGZVFWFLSA-N	1	0	351.472	1.220	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cccc(C(N)=O)c2)C1	ZINC000999537923	912908521	/nfs/dbraw/zinc/90/85/21/912908521.db2.gz	DOFLRVQOVGNHMW-BTRQGYIVSA-N	1	0	371.481	1.846	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccccc2)C[C@@H]1O	ZINC001083967523	912908941	/nfs/dbraw/zinc/90/89/41/912908941.db2.gz	LJGYUEYDHJDFNW-LZQZEXGQSA-N	1	0	365.433	1.630	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@@H]1O	ZINC001083967625	912909057	/nfs/dbraw/zinc/90/90/57/912909057.db2.gz	QIKXPYOPOSMOAE-MOPGFXCFSA-N	1	0	371.481	1.839	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2(CCOC)CC2)[C@@H](n2ccnn2)C1	ZINC001129043510	885519697	/nfs/dbraw/zinc/51/96/97/885519697.db2.gz	ROYRUIBEIRTPKR-BBWFWOEESA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]cn2)[C@@H](n2ccnn2)C1	ZINC001129048390	885528712	/nfs/dbraw/zinc/52/87/12/885528712.db2.gz	ATUSYACWSRVSRA-MSOLQXFVSA-N	1	0	371.489	1.722	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cncs2)[C@@H](n2ccnn2)C1	ZINC001129054945	885588213	/nfs/dbraw/zinc/58/82/13/885588213.db2.gz	RFFVKWHEAJNANM-BMFZPTHFSA-N	1	0	360.487	1.674	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2CC)[C@@H](n2ccnn2)C1	ZINC001129064519	885626289	/nfs/dbraw/zinc/62/62/89/885626289.db2.gz	IVEXOUDENLAXKF-QGTPRVQTSA-N	1	0	371.489	1.584	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC(C)(C)C1	ZINC001089491606	885644605	/nfs/dbraw/zinc/64/46/05/885644605.db2.gz	QMMTXVFDCBEHHP-ZACQAIPSSA-N	1	0	365.518	1.805	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)CCc2ccncc2)[C@@H](n2ccnn2)C1	ZINC001129093856	885723278	/nfs/dbraw/zinc/72/32/78/885723278.db2.gz	RWSREKHMITYZHD-MSOLQXFVSA-N	1	0	354.458	1.614	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC[N@@H+]([C@H](CC)C(N)=O)C2)CC1	ZINC001035185500	885730151	/nfs/dbraw/zinc/73/01/51/885730151.db2.gz	AYOCPSAOUGFSNX-ZACQAIPSSA-N	1	0	363.502	1.546	20	30		FDEDRO
C=CCNC(=O)NC(=O)COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000923845563	885740902	/nfs/dbraw/zinc/74/09/02/885740902.db2.gz	YOSXPYOVGSOOTK-HOCLYGCPSA-N	1	0	359.426	1.310	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)CC3CC3)[C@H](C)C2)cn1	ZINC001106894415	885751724	/nfs/dbraw/zinc/75/17/24/885751724.db2.gz	KNFPNFVCVRALDD-CRAIPNDOSA-N	1	0	368.481	1.229	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1n1ccnn1	ZINC001129147612	885875728	/nfs/dbraw/zinc/87/57/28/885875728.db2.gz	HMSQAWDNCNMUPK-SJORKVTESA-N	1	0	361.490	1.791	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)OCC(=O)NC1(C#N)CCC1	ZINC000923846214	885950890	/nfs/dbraw/zinc/95/08/90/885950890.db2.gz	HBZAYYCMALPWFV-DOTOQJQBSA-N	1	0	355.438	1.860	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)NCCCC)[C@H](C)C2)cn1	ZINC001106896878	886140285	/nfs/dbraw/zinc/14/02/85/886140285.db2.gz	USGRZYDSNSJKMC-JFIYKMOQSA-N	1	0	370.497	1.665	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1n1ccnn1	ZINC001129189808	886160571	/nfs/dbraw/zinc/16/05/71/886160571.db2.gz	YTPMAHYKKINQOS-KSZLIROESA-N	1	0	359.474	1.240	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)C2(c3cccnc3)CC2)[C@@H](n2ccnn2)C1	ZINC001129194382	886173236	/nfs/dbraw/zinc/17/32/36/886173236.db2.gz	BTNAHYYYLSLIOF-MSOLQXFVSA-N	1	0	366.469	1.713	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C	ZINC000994642540	886329974	/nfs/dbraw/zinc/32/99/74/886329974.db2.gz	LSPKZVCJSVMWBD-DDBAPUKQSA-N	1	0	363.502	1.130	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc(C)nc(OC)c2)[C@@H](n2ccnn2)C1	ZINC001129204124	886363863	/nfs/dbraw/zinc/36/38/63/886363863.db2.gz	AMPWJVJOIXVFFA-SJORKVTESA-N	1	0	370.457	1.612	20	30		FDEDRO
C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCO[C@H]1c1nccn1C)CC2	ZINC001035725808	886379960	/nfs/dbraw/zinc/37/99/60/886379960.db2.gz	FRFCZYGBEUQQRU-IAGOWNOFSA-N	1	0	356.470	1.445	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CN(Cc3cnnn3CC)C2)CC1	ZINC001035800388	886481782	/nfs/dbraw/zinc/48/17/82/886481782.db2.gz	CVDPNVNNHYYXEL-SJORKVTESA-N	1	0	359.474	1.314	20	30		FDEDRO
CC(=O)N[C@@H](C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1)C(C)C	ZINC001106898283	886662913	/nfs/dbraw/zinc/66/29/13/886662913.db2.gz	BQPIHCDKCLPGAK-DUXKGJEZSA-N	1	0	369.509	1.883	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+](CCCCOC)C[C@@H]2n2ccnn2)CCC1	ZINC001129242949	886791357	/nfs/dbraw/zinc/79/13/57/886791357.db2.gz	BWHGOYQZCAJNDO-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cc2C)[C@@H](n2ccnn2)C1	ZINC001129248695	886820154	/nfs/dbraw/zinc/82/01/54/886820154.db2.gz	NQWWSZJICBJOQU-OIISXLGYSA-N	1	0	370.457	1.697	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCc2cc(C)on2)[C@@H](n2ccnn2)C1	ZINC001129252878	886867992	/nfs/dbraw/zinc/86/79/92/886867992.db2.gz	LPINEVXSMAGAFH-SJORKVTESA-N	1	0	358.446	1.515	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CN(C)c3ncccc3C#N)C2)CC[N@@H+]1C	ZINC001062184776	886952019	/nfs/dbraw/zinc/95/20/19/886952019.db2.gz	ACPMWAWOMPWVSD-RYQLBKOJSA-N	1	0	355.486	1.968	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CN(C)c3cnc(C#N)cn3)C2)CC[N@@H+]1C	ZINC001062185183	886953648	/nfs/dbraw/zinc/95/36/48/886953648.db2.gz	HHFSBFFMVMNHKS-HYVNUMGLSA-N	1	0	356.474	1.363	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CN(C)c3nccnc3C#N)C2)CC[N@@H+]1C	ZINC001062185080	886953830	/nfs/dbraw/zinc/95/38/30/886953830.db2.gz	GHCAAXRZVFWSLO-YQQAZPJKSA-N	1	0	356.474	1.363	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)NCc2ccc(C)c(C#N)c2)CC1	ZINC000920459945	886955320	/nfs/dbraw/zinc/95/53/20/886955320.db2.gz	GEPMIWVDYBMDPK-MRXNPFEDSA-N	1	0	357.502	1.940	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CN(C)c3ccc(C#N)cn3)C2)CC[N@@H+]1C	ZINC001062185807	886967661	/nfs/dbraw/zinc/96/76/61/886967661.db2.gz	XHODMSONAZXMHF-FGTMMUONSA-N	1	0	355.486	1.968	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC(CN(C)c3ccnc(C#N)n3)CC2)CC[N@@H+]1C	ZINC001062234432	886990833	/nfs/dbraw/zinc/99/08/33/886990833.db2.gz	CAKDMCYFAFAXBA-GDBMZVCRSA-N	1	0	356.474	1.363	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCN1C(=O)CCC[NH+](C)C	ZINC001062330185	887057545	/nfs/dbraw/zinc/05/75/45/887057545.db2.gz	VXRHPCOMWQMAGE-ZACQAIPSSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)CCCC[NH+](C)C	ZINC001062353739	887070087	/nfs/dbraw/zinc/07/00/87/887070087.db2.gz	CCCPSAHLPYWXIU-KURKYZTESA-N	1	0	365.518	1.807	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(Cl)c(C#N)s2)CC[N@@H+]1C	ZINC001062598497	887141483	/nfs/dbraw/zinc/14/14/83/887141483.db2.gz	UYXFZJATDBHVQW-NOOOWODRSA-N	1	0	365.890	1.798	20	30		FDEDRO
C#CCN(C(=O)NCc1nnc(-c2ccncc2)[nH]1)C1CC[NH+](C)CC1	ZINC000922902286	887166437	/nfs/dbraw/zinc/16/64/37/887166437.db2.gz	MQXISCKIZXRPJL-UHFFFAOYSA-N	1	0	353.430	1.106	20	30		FDEDRO
C=C(Br)C[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1c1ccncc1	ZINC001127547776	887283058	/nfs/dbraw/zinc/28/30/58/887283058.db2.gz	TUUPMIBDXBHNLD-KGLIPLIRSA-N	1	0	354.248	1.774	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C[NH+](CC)CC)c1	ZINC000921078594	887427702	/nfs/dbraw/zinc/42/77/02/887427702.db2.gz	QGGDUZJVEZQYAQ-AWEZNQCLSA-N	1	0	351.472	1.058	20	30		FDEDRO
C#CCN(C(=O)N[C@@H](C)c1ncc(C(=O)OC)s1)C1CC[NH+](C)CC1	ZINC000922962289	887606211	/nfs/dbraw/zinc/60/62/11/887606211.db2.gz	NPYIYJLERIJXJF-LBPRGKRZSA-N	1	0	364.471	1.730	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)CCO[C@H](C)CC(C)C)[C@H](OC)C1	ZINC001212255315	887861308	/nfs/dbraw/zinc/86/13/08/887861308.db2.gz	IZHKIMHSJVVKGV-KZNAEPCWSA-N	1	0	356.507	1.846	20	30		FDEDRO
CC[N@H+]1C[C@H](NC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)[C@@H](C)C1	ZINC000921407397	887902630	/nfs/dbraw/zinc/90/26/30/887902630.db2.gz	ZYVQEXSHBHHQMU-UAGQMJEPSA-N	1	0	356.474	1.879	20	30		FDEDRO
COC[C@@H]1COCCN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000923092997	888007893	/nfs/dbraw/zinc/00/78/93/888007893.db2.gz	WEZFXGJCBGWGMM-LJQANCHMSA-N	1	0	372.469	1.579	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCc2ccc(Cl)cc2)C[C@H]1OC	ZINC001212258517	888082874	/nfs/dbraw/zinc/08/28/74/888082874.db2.gz	VCINJQBBQRCVJH-BMGDILEWSA-N	1	0	364.873	1.736	20	30		FDEDRO
COCC1(CC(=O)N[C@@H]2CN(CC#Cc3ccccc3)C[C@H]2OC)CC1	ZINC001212261292	888124820	/nfs/dbraw/zinc/12/48/20/888124820.db2.gz	YYFYVCPPEAUJDP-RTBURBONSA-N	1	0	356.466	1.670	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(Cl)cn2)C[C@H]1C	ZINC001106901524	888141192	/nfs/dbraw/zinc/14/11/92/888141192.db2.gz	KIBXWHPPNUJMTD-MGPQQGTHSA-N	1	0	362.861	1.171	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001060751256	888308593	/nfs/dbraw/zinc/30/85/93/888308593.db2.gz	IOYAAGBDWYCAIO-DUQPFJRNSA-N	1	0	365.518	1.709	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2sccc2OC)C[C@H]1C	ZINC001106905995	888804244	/nfs/dbraw/zinc/80/42/44/888804244.db2.gz	QXWXQMVSYBWBKW-HZSPNIEDSA-N	1	0	363.483	1.192	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC(N)=O)C1	ZINC000245411019	888816261	/nfs/dbraw/zinc/81/62/61/888816261.db2.gz	UQOOOGCKURAJCH-CVEARBPZSA-N	1	0	372.469	1.918	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CCC[C@@H]1Cc1cnn(C)c1)C1CC[NH+](C)CC1	ZINC000923301898	888823268	/nfs/dbraw/zinc/82/32/68/888823268.db2.gz	KXNWIURGTVOVEJ-MJGOQNOKSA-N	1	0	357.502	1.870	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCC(F)(F)C3)C[C@@H]2O)c1	ZINC001083765145	888891599	/nfs/dbraw/zinc/89/15/99/888891599.db2.gz	POSPIABOTGJVQP-UAGQMJEPSA-N	1	0	363.408	1.663	20	30		FDEDRO
C#C[C@H](NC(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O)C1CCOCC1	ZINC000923326383	888918879	/nfs/dbraw/zinc/91/88/79/888918879.db2.gz	YPACHWBFTDUISK-ILRSOXBSSA-N	1	0	363.502	1.194	20	30		FDEDRO
COc1ccccc1[C@@H]1C[NH2+]CCN1C[C@H](O)COc1ccccc1C#N	ZINC000923349683	888954342	/nfs/dbraw/zinc/95/43/42/888954342.db2.gz	VULGMFBIHGGJDQ-HKUYNNGSSA-N	1	0	367.449	1.953	20	30		FDEDRO
COc1ccccc1[C@H]1C[NH2+]CCN1C[C@H](O)COc1ccc(C#N)cc1	ZINC000923349731	888954465	/nfs/dbraw/zinc/95/44/65/888954465.db2.gz	WCZRNDWKMBEOAR-FXAWDEMLSA-N	1	0	367.449	1.953	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](N(C)C(=O)[C@@H]3C[C@H]3C3CCC3)C2)CC1	ZINC000938669350	889071940	/nfs/dbraw/zinc/07/19/40/889071940.db2.gz	JIJHYUWKIGXRIV-SLFFLAALSA-N	1	0	371.525	1.827	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1	ZINC000946901896	889278985	/nfs/dbraw/zinc/27/89/85/889278985.db2.gz	CQAJYOUGLFYAGH-JQHSSLGASA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2COCC[C@@H]2c2ccccc2)C1=O	ZINC001127594325	889338458	/nfs/dbraw/zinc/33/84/58/889338458.db2.gz	LFZKVLOJBUPPPH-GUDVDZBRSA-N	1	0	371.481	1.299	20	30		FDEDRO
Cc1c(C#N)cccc1C(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1	ZINC000509420408	889541049	/nfs/dbraw/zinc/54/10/49/889541049.db2.gz	XGNNGFKMGGQJNC-IBGZPJMESA-N	1	0	370.497	1.734	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H](c2ccnc(N)n2)C1	ZINC000333009810	889754905	/nfs/dbraw/zinc/75/49/05/889754905.db2.gz	UUOZIRNXMMICJS-LSDHHAIUSA-N	1	0	356.474	1.969	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)CN(Cc2ccccc2)[C@@H]2C[NH2+]C[C@H]2O)cc1	ZINC000923559314	889793678	/nfs/dbraw/zinc/79/36/78/889793678.db2.gz	KPMMDTBHTDMRRQ-CEWLAPEOSA-N	1	0	367.449	1.133	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1	ZINC000923575948	889910869	/nfs/dbraw/zinc/91/08/69/889910869.db2.gz	GRDBCZCQXUDVFI-HXUWFJFHSA-N	1	0	354.498	1.261	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CNC(=O)C2CCCC2)[C@H](OC)C1	ZINC001212310946	890018091	/nfs/dbraw/zinc/01/80/91/890018091.db2.gz	ALRQXGOGLQIPCM-QZTJIDSGSA-N	1	0	365.518	1.855	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2ccnnc2)[C@@H](n2ccnn2)C1	ZINC001129284267	890035428	/nfs/dbraw/zinc/03/54/28/890035428.db2.gz	MISSDDDLBWMRTP-SJORKVTESA-N	1	0	357.462	1.694	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1)OCC	ZINC001063223503	890329526	/nfs/dbraw/zinc/32/95/26/890329526.db2.gz	LJEJXGDWGVMWPD-BRWVUGGUSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(NC(=O)C[N@H+]2CC[C@H](C)C2)CCC1	ZINC001063214475	890339543	/nfs/dbraw/zinc/33/95/43/890339543.db2.gz	JJEDPSSIVIVVCQ-BBWFWOEESA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)NC1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCC1	ZINC001063228676	890354894	/nfs/dbraw/zinc/35/48/94/890354894.db2.gz	FAEIWOSZYAWSTA-HRCADAONSA-N	1	0	351.491	1.463	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1	ZINC000939336192	890474967	/nfs/dbraw/zinc/47/49/67/890474967.db2.gz	KSTVTHUNJNLGEE-WXSAJPJJSA-N	1	0	368.481	1.370	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCC1	ZINC001063376315	890495124	/nfs/dbraw/zinc/49/51/24/890495124.db2.gz	ZYUSOTGGTCWXNQ-IKGGRYGDSA-N	1	0	365.518	1.709	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC([C@@H](C)NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC001006182157	890550803	/nfs/dbraw/zinc/55/08/03/890550803.db2.gz	RDCCQCGCYSCOSI-SPYBWZPUSA-N	1	0	353.466	1.585	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH+]1CCC(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1	ZINC001001840051	891407223	/nfs/dbraw/zinc/40/72/23/891407223.db2.gz	PBUTUSPMQBXSOG-SJORKVTESA-N	1	0	370.453	1.016	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](CCCc2nc(C)no2)CC1	ZINC001001851438	891452236	/nfs/dbraw/zinc/45/22/36/891452236.db2.gz	LQBMOYBXJLKGJP-SJORKVTESA-N	1	0	362.474	1.730	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC[NH+](CCc2cnn(C)c2)CC1	ZINC001001932266	891615961	/nfs/dbraw/zinc/61/59/61/891615961.db2.gz	XNEAWORKZPNKOQ-OALUTQOASA-N	1	0	360.502	1.772	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C#N)c[nH]1)C2	ZINC001001904566	891639221	/nfs/dbraw/zinc/63/92/21/891639221.db2.gz	MRXWALAMGJWXRA-KONPQCLYSA-N	1	0	369.469	1.622	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(C#N)[nH]2)C3)CC1	ZINC001002086173	891907723	/nfs/dbraw/zinc/90/77/23/891907723.db2.gz	QAORDUCLQXLROS-NXHRZFHOSA-N	1	0	369.469	1.480	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CC[NH+]2CCCCC2)[nH]1	ZINC001002090698	891914385	/nfs/dbraw/zinc/91/43/85/891914385.db2.gz	OIKSZYXZYDMYBH-NXHRZFHOSA-N	1	0	369.469	1.624	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1	ZINC001002150399	891994576	/nfs/dbraw/zinc/99/45/76/891994576.db2.gz	MFKVLSUMBZUVKL-IEZWGBDMSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC001002150565	891994660	/nfs/dbraw/zinc/99/46/60/891994660.db2.gz	QKFJAZNIZKTVNW-IRXDYDNUSA-N	1	0	361.486	1.028	20	30		FDEDRO
C=CCCOCC(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000672213380	892089078	/nfs/dbraw/zinc/08/90/78/892089078.db2.gz	HXFXUFRCKZXJNE-FQEVSTJZSA-N	1	0	357.498	1.998	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(CCOC)CCC2)C[C@H]1C	ZINC001106920828	892562170	/nfs/dbraw/zinc/56/21/70/892562170.db2.gz	KUMPKXMSCVIXQW-BRWVUGGUSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)Cn2ccnc2C)C1	ZINC000940688094	892873116	/nfs/dbraw/zinc/87/31/16/892873116.db2.gz	HJESZEGBNMLODJ-RYRKJORJSA-N	1	0	360.458	1.280	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cc3c(cn2)nc[nH]c3=O)C[C@H]1C	ZINC001106929606	893008349	/nfs/dbraw/zinc/00/83/49/893008349.db2.gz	OFKPYBZHOQANCT-ZIAGYGMSSA-N	1	0	371.441	1.231	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2OCc3ccccc32)C[C@H]1C	ZINC001106930608	893018691	/nfs/dbraw/zinc/01/86/91/893018691.db2.gz	ADSBQBKAQLPKOY-YVWKXTFCSA-N	1	0	356.466	1.982	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnc(C)nc2C2CC2)C[C@H]1C	ZINC001106937970	893092388	/nfs/dbraw/zinc/09/23/88/893092388.db2.gz	KNYDPYWIXAQVIU-RHSMWYFYSA-N	1	0	356.470	1.610	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(C(=O)Nc2nc(Cl)c(C#N)s2)CC1	ZINC000888412877	893166245	/nfs/dbraw/zinc/16/62/45/893166245.db2.gz	XTCRUCXLWKEVTK-UHFFFAOYSA-N	1	0	357.867	1.979	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C(C)(C)C1	ZINC000940839523	893322023	/nfs/dbraw/zinc/32/20/23/893322023.db2.gz	MJYTXMOZGRUMIJ-MCIONIFRSA-N	1	0	362.392	1.573	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CC[NH+](C)CC2)C1	ZINC000940880134	893385824	/nfs/dbraw/zinc/38/58/24/893385824.db2.gz	FPRJUINOJMXQTO-AYOQOUSVSA-N	1	0	368.481	1.599	20	30		FDEDRO
COc1ccc(CN2CC[C@@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C)[C@@H]3C2)cc1C#N	ZINC001084231987	913782618	/nfs/dbraw/zinc/78/26/18/913782618.db2.gz	QVIOJXBTYUVVMU-BHIYHBOVSA-N	1	0	368.481	1.694	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C(C)(C)C1	ZINC000941029571	893699318	/nfs/dbraw/zinc/69/93/18/893699318.db2.gz	XCNUVSQESLQYTL-BBWFWOEESA-N	1	0	361.486	1.006	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000921974012	893711511	/nfs/dbraw/zinc/71/15/11/893711511.db2.gz	SVAGBYXGYFIGIQ-HNNXBMFYSA-N	1	0	367.490	1.827	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2oc3ccccc3c2C)C[C@H]1C	ZINC001106950956	894025373	/nfs/dbraw/zinc/02/53/73/894025373.db2.gz	KTFJTSJYGJMWFE-GDBMZVCRSA-N	1	0	367.449	1.788	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@H](CC)C[NH+]1CCCC1	ZINC000672579922	894035411	/nfs/dbraw/zinc/03/54/11/894035411.db2.gz	OFYAIXPOKIHBLP-QGZVFWFLSA-N	1	0	359.470	1.858	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2cccc(F)c2)C[C@H]1C	ZINC001106952804	894362137	/nfs/dbraw/zinc/36/21/37/894362137.db2.gz	ANKHDGTUSZPUNU-BFYDXBDKSA-N	1	0	361.461	1.743	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)CC1(C(=O)OC)CCCC1	ZINC000922023567	894428182	/nfs/dbraw/zinc/42/81/82/894428182.db2.gz	VULYEVCMGFENJU-UHFFFAOYSA-N	1	0	356.488	1.079	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000922023782	894429833	/nfs/dbraw/zinc/42/98/33/894429833.db2.gz	MHPXLIWHVMFYJT-UHFFFAOYSA-N	1	0	351.859	1.930	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)CCCOCc1ccccc1	ZINC000922021628	894460154	/nfs/dbraw/zinc/46/01/54/894460154.db2.gz	AFXFFAQJLPPXPG-UHFFFAOYSA-N	1	0	364.511	1.953	20	30		FDEDRO
CCc1cccc(OCC(=O)N2C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C2)c1	ZINC001106953381	894462402	/nfs/dbraw/zinc/46/24/02/894462402.db2.gz	SJQGANORDWKMIA-IEBWSBKVSA-N	1	0	358.482	1.962	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C(=O)OCC)o1	ZINC000922024639	894513219	/nfs/dbraw/zinc/51/32/19/894513219.db2.gz	RKXWQAGYCZMSFA-UHFFFAOYSA-N	1	0	354.428	1.174	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000922025090	894518414	/nfs/dbraw/zinc/51/84/14/894518414.db2.gz	CQUUYDNNYCFKRE-UHFFFAOYSA-N	1	0	351.428	1.621	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(OCCOC)cc1	ZINC000922027207	894550199	/nfs/dbraw/zinc/55/01/99/894550199.db2.gz	UAUYRDQSOOEKOA-UHFFFAOYSA-N	1	0	366.483	1.430	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccccc2OCC=C)[C@H](OC)C1	ZINC001212471816	894710786	/nfs/dbraw/zinc/71/07/86/894710786.db2.gz	DOTIMKVYYUTSGS-IEBWSBKVSA-N	1	0	360.454	1.883	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)NC(=O)c2ccccc2)C[C@H]1C	ZINC001106955382	894765633	/nfs/dbraw/zinc/76/56/33/894765633.db2.gz	CPOUCDITBDTYIL-ZHALLVOQSA-N	1	0	371.481	1.139	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1	ZINC000995151846	895070279	/nfs/dbraw/zinc/07/02/79/895070279.db2.gz	MGCQNWMTCNZRCT-SQNIBIBYSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3ccncc3)nn2)C1	ZINC000999985286	896514030	/nfs/dbraw/zinc/51/40/30/896514030.db2.gz	AYDWAYJGICGTAC-CEXWTWQISA-N	1	0	366.469	1.916	20	30		FDEDRO
COc1ccccc1C1(CNC(=[NH2+])NCCCN2CCOCC2)CCC1	ZINC000183834697	896562294	/nfs/dbraw/zinc/56/22/94/896562294.db2.gz	BBQVXVOFVYRTSY-UHFFFAOYSA-N	1	0	360.502	1.744	20	30		FDEDRO
C[C@@]1(C(=O)N[C@@H]2CN(Cc3ccc(F)c(C#N)c3)C[C@H]2O)CCCOC1	ZINC001077904993	896776781	/nfs/dbraw/zinc/77/67/81/896776781.db2.gz	AFENPHPFJITZNK-ZHALLVOQSA-N	1	0	361.417	1.175	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1	ZINC000942276645	896785350	/nfs/dbraw/zinc/78/53/50/896785350.db2.gz	QMNSEJBLAHVGEB-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@@H]3CCO[C@H]3CC)C2)n1	ZINC001128113642	897218130	/nfs/dbraw/zinc/21/81/30/897218130.db2.gz	ZPVNXLRNVLQUHO-QRVBRYPASA-N	1	0	370.497	1.705	20	30		FDEDRO
C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)CC2(CCOCC2)C1	ZINC001089959310	897321587	/nfs/dbraw/zinc/32/15/87/897321587.db2.gz	HMTAPZTYJPNJKJ-GVDBMIGSSA-N	1	0	358.486	1.697	20	30		FDEDRO
CCCCCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1	ZINC001108024556	897384717	/nfs/dbraw/zinc/38/47/17/897384717.db2.gz	MMUZMBSEJYKFQI-GGPKGHCWSA-N	1	0	369.550	1.883	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)nc[nH]c3=O)C[C@H]1C	ZINC001106987183	897652756	/nfs/dbraw/zinc/65/27/56/897652756.db2.gz	WADNVSMOTDHJFE-GDBMZVCRSA-N	1	0	370.453	1.836	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCC3(F)F)C[C@H]2O)nc1	ZINC001078031488	897671967	/nfs/dbraw/zinc/67/19/67/897671967.db2.gz	WQGUKEOSWNFFQV-USXIJHARSA-N	1	0	363.408	1.663	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@H](OC)C3CCCC3)C[C@H]2O)cn1	ZINC001078032365	897675962	/nfs/dbraw/zinc/67/59/62/897675962.db2.gz	KJBMBZYBWXROMC-QRVBRYPASA-N	1	0	357.454	1.043	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCCc3ccccc3C)C[C@H]2O)nc1	ZINC001078032498	897677864	/nfs/dbraw/zinc/67/78/64/897677864.db2.gz	QZXIJJSZXOAUJG-NHCUHLMSSA-N	1	0	363.461	1.779	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](C[C@@H](O)c2ccc(F)cc2)C1	ZINC001032044591	897700009	/nfs/dbraw/zinc/70/00/09/897700009.db2.gz	ZDHOYYMXJWHOIX-OTWHNJEPSA-N	1	0	362.445	1.888	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1	ZINC000995277297	897748128	/nfs/dbraw/zinc/74/81/28/897748128.db2.gz	WHHCOGWIQXTIDZ-OTWHNJEPSA-N	1	0	370.497	1.642	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1)C1CC[NH+](C)CC1	ZINC000921765593	897801960	/nfs/dbraw/zinc/80/19/60/897801960.db2.gz	NWKATSPAILHDQG-INIZCTEOSA-N	1	0	360.502	1.659	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCCC2=CCN(c3ccc(C#N)cn3)CC2)CC[N@@H+]1C	ZINC001089870331	897834746	/nfs/dbraw/zinc/83/47/46/897834746.db2.gz	PHKHYFBCPQXIFI-CRAIPNDOSA-N	1	0	353.470	1.936	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1	ZINC000942982124	898232754	/nfs/dbraw/zinc/23/27/54/898232754.db2.gz	FJLSJCPUEWNGBD-KURKYZTESA-N	1	0	363.502	1.511	20	30		FDEDRO
COc1ccccc1CNC(=[NH2+])NCc1nc(COc2ccccc2)n[nH]1	ZINC000184654885	898403569	/nfs/dbraw/zinc/40/35/69/898403569.db2.gz	WIJBESSTOVOEQN-UHFFFAOYSA-N	1	0	366.425	1.997	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2N(C(=O)[C@@H]2C[C@H]2C)CC3)CC1	ZINC000995323589	898411992	/nfs/dbraw/zinc/41/19/92/898411992.db2.gz	METCNLNJFDYKAS-WGQQHEPDSA-N	1	0	371.525	1.875	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000943199779	898508359	/nfs/dbraw/zinc/50/83/59/898508359.db2.gz	OSTMPEJBXVJLAO-VNQPRFMTSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2nccn2CC)C1	ZINC001078471691	898798837	/nfs/dbraw/zinc/79/88/37/898798837.db2.gz	BDWPOJWIJRQYEX-ZACQAIPSSA-N	1	0	362.474	1.201	20	30		FDEDRO
C[C@@H]1CC[C@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3cccc(C#N)c3)C2)O1	ZINC001078475113	898812309	/nfs/dbraw/zinc/81/23/09/898812309.db2.gz	FCRAYGKKOCMUAK-AYOQOUSVSA-N	1	0	357.454	1.833	20	30		FDEDRO
[NH2+]=C(NCCc1ccccc1)NCc1cccc(N2CCCS2(=O)=O)c1	ZINC000184875229	899046689	/nfs/dbraw/zinc/04/66/89/899046689.db2.gz	CMWGFVKIYVHUJB-UHFFFAOYSA-N	1	0	372.494	1.874	20	30		FDEDRO
CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CC#Cc3ccccc3)C[C@H]2C)C1=O	ZINC001107016779	899552535	/nfs/dbraw/zinc/55/25/35/899552535.db2.gz	DSQNUQNTLQDGDT-MISYRCLQSA-N	1	0	367.493	1.733	20	30		FDEDRO
CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C	ZINC001107017401	899554907	/nfs/dbraw/zinc/55/49/07/899554907.db2.gz	UVSLFLCMOUNSPS-IEBWSBKVSA-N	1	0	365.481	1.924	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)nc1	ZINC000944052604	899774977	/nfs/dbraw/zinc/77/49/77/899774977.db2.gz	QCIIPTWLPUQOTN-ZIFCJYIRSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1	ZINC000944086618	899831652	/nfs/dbraw/zinc/83/16/52/899831652.db2.gz	MYMUUJDJAZUESB-KURKYZTESA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCO[C@H]3c3nccn3C)[C@@H]2C1	ZINC001084419539	914391333	/nfs/dbraw/zinc/39/13/33/914391333.db2.gz	YCPIMJCWMNBASY-BRSBDYLESA-N	1	0	356.470	1.444	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2ccon2)[C@H](C)C1	ZINC001107036965	900035181	/nfs/dbraw/zinc/03/51/81/900035181.db2.gz	VFOMOKHUAXEQSQ-ZIAGYGMSSA-N	1	0	363.462	1.123	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2OC)cc1	ZINC000944346422	900144487	/nfs/dbraw/zinc/14/44/87/900144487.db2.gz	UIHIWQFROGTRLE-RTBURBONSA-N	1	0	369.465	1.108	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2ccccc2C)C[C@H]1C	ZINC001107051862	900144659	/nfs/dbraw/zinc/14/46/59/900144659.db2.gz	QVAWQNKUHBYDOZ-QWFCFKBJSA-N	1	0	369.509	1.607	20	30		FDEDRO
CCC[C@H](CC(C)C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001107055964	900185292	/nfs/dbraw/zinc/18/52/92/900185292.db2.gz	PBIMXTBFXNKQED-BRWVUGGUSA-N	1	0	350.507	1.773	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+][C@@H]3CCN(C)C3=O)[C@H](C)C2)CCCCC1	ZINC001107056903	900254068	/nfs/dbraw/zinc/25/40/68/900254068.db2.gz	BEPUBEFVWLXFCN-KZNAEPCWSA-N	1	0	359.514	1.875	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CC(=C)C)[C@H](C)C1	ZINC001107059072	900309076	/nfs/dbraw/zinc/30/90/76/900309076.db2.gz	PYZQQOGLQSUQJF-QZTJIDSGSA-N	1	0	365.518	1.688	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)n2CCC)[C@H](C)C1	ZINC001107059177	900311350	/nfs/dbraw/zinc/31/13/50/900311350.db2.gz	WKDYMOAWEOJDHY-NVXWUHKLSA-N	1	0	363.506	1.773	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2nccs2)[C@H](C)C1	ZINC001107062794	900388941	/nfs/dbraw/zinc/38/89/41/900388941.db2.gz	UEQUKBSOLGTMIJ-HZSPNIEDSA-N	1	0	366.487	1.357	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CCn2cc(Cl)cn2)[C@H](C)C1	ZINC001107063050	900448291	/nfs/dbraw/zinc/44/82/91/900448291.db2.gz	AIEKTNTUCMHZNW-HUUCEWRRSA-N	1	0	354.882	1.813	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+][C@H](C)c2nc(COC)no2)[C@H](C)C1	ZINC001107063313	900449607	/nfs/dbraw/zinc/44/96/07/900449607.db2.gz	KIDWAAGCAZQMOC-RBSFLKMASA-N	1	0	366.462	1.554	20	30		FDEDRO
CC(C)OC[C@@H](CO)[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N	ZINC000763876603	900452085	/nfs/dbraw/zinc/45/20/85/900452085.db2.gz	VMVIHCUMUPCDCP-CVEARBPZSA-N	1	0	368.437	1.941	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)N2CCCCC2)[C@H](C)C1	ZINC001107064974	900453379	/nfs/dbraw/zinc/45/33/79/900453379.db2.gz	CWLJZHQUFGZQIV-FGTMMUONSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CCCCCn2cncn2)[C@H](C)C1	ZINC001107065521	900455839	/nfs/dbraw/zinc/45/58/39/900455839.db2.gz	QXKSQRDDXVCJEI-FGTMMUONSA-N	1	0	363.506	1.724	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)COCCc2ccccc2)C[C@H]1C	ZINC001107086555	900711052	/nfs/dbraw/zinc/71/10/52/900711052.db2.gz	YTUCFGLGSYNAQT-UYAOXDASSA-N	1	0	358.482	1.580	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(c3nc(C)ccc3C#N)CCO2)CC[N@@H+]1C	ZINC001063670563	901092279	/nfs/dbraw/zinc/09/22/79/901092279.db2.gz	LBUNZJKUZOYYTO-OKZBNKHCSA-N	1	0	371.485	1.313	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1	ZINC000945060105	901250941	/nfs/dbraw/zinc/25/09/41/901250941.db2.gz	OVQLJIDDQMWNJN-IKGGRYGDSA-N	1	0	363.502	1.369	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001006189844	901280713	/nfs/dbraw/zinc/28/07/13/901280713.db2.gz	XTGBQBYZOFEBEH-RZQQEMMASA-N	1	0	367.493	1.514	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](NC(=O)CCc2nc(C3CC3)no2)[C@@H](n2ccnn2)C1	ZINC001129312671	901282757	/nfs/dbraw/zinc/28/27/57/901282757.db2.gz	KMUPMGUQMOEOHJ-CABCVRRESA-N	1	0	371.445	1.089	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNC(=O)[C@@H](CC)[NH+](CC)CC)CCC1	ZINC001064473624	901315319	/nfs/dbraw/zinc/31/53/19/901315319.db2.gz	GBALCTNJERFXBR-ZACQAIPSSA-N	1	0	365.518	1.853	20	30		FDEDRO
C#Cc1cncc(C(=O)NCC2(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCC2)c1	ZINC001064463460	901318269	/nfs/dbraw/zinc/31/82/69/901318269.db2.gz	RKBYUXDHYMICGG-ZWKOTPCHSA-N	1	0	368.481	1.562	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCCN(c2cnc(C#N)cn2)C3)CC[N@@H+]1C	ZINC001064570409	901387449	/nfs/dbraw/zinc/38/74/49/901387449.db2.gz	JAYDTJWHNSHFMH-WRWLIDTKSA-N	1	0	368.485	1.507	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCC1	ZINC001064583624	901430607	/nfs/dbraw/zinc/43/06/07/901430607.db2.gz	HJZUZSZYWQGEEG-ZACQAIPSSA-N	1	0	361.486	1.074	20	30		FDEDRO
C[NH+]=C(NCc1cccnc1-n1ccnc1C)N[C@@H]1CCN(C2CC2)C1	ZINC000083167434	901916313	/nfs/dbraw/zinc/91/63/13/901916313.db2.gz	OLUQKAIIDCECIT-MRXNPFEDSA-N	1	0	353.474	1.477	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2COCCO2)C1	ZINC001079127073	901928079	/nfs/dbraw/zinc/92/80/79/901928079.db2.gz	IVVUUXRJHIRRCR-GUDVDZBRSA-N	1	0	360.454	1.052	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccnn2C)C1	ZINC001079128105	901931499	/nfs/dbraw/zinc/93/14/99/901931499.db2.gz	KBPZXWVGDIWADF-RTBURBONSA-N	1	0	354.454	1.684	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cccc(=O)[nH]2)C1	ZINC001079131283	901942192	/nfs/dbraw/zinc/94/21/92/901942192.db2.gz	LJMGOAMVSWNTNI-RTBURBONSA-N	1	0	365.433	1.498	20	30		FDEDRO
CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccc(C#N)[nH]2)C1	ZINC001079132463	901945703	/nfs/dbraw/zinc/94/57/03/901945703.db2.gz	NWXUJPMIILYNHD-RTBURBONSA-N	1	0	352.438	1.984	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccc(C)[nH]c2=O)C1	ZINC001079145155	901956149	/nfs/dbraw/zinc/95/61/49/901956149.db2.gz	UMJHDHACDRFJRT-RTBURBONSA-N	1	0	367.449	1.969	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)CC[C@H]1c1ccc(F)cc1	ZINC001079150052	901981775	/nfs/dbraw/zinc/98/17/75/901981775.db2.gz	ZMBLPBRXNYISOI-OTWHNJEPSA-N	1	0	361.461	1.616	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@]23C[C@H]2COC3)C1	ZINC001079135897	902002889	/nfs/dbraw/zinc/00/28/89/902002889.db2.gz	UAHUZCVGQXXZGO-PXCRPINLSA-N	1	0	354.450	1.120	20	30		FDEDRO
C=CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001079135815	902003948	/nfs/dbraw/zinc/00/39/48/902003948.db2.gz	OIPOVBXJLHRCEK-VBSBHUPXSA-N	1	0	357.498	1.587	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccsn2)C1	ZINC001079137122	902011719	/nfs/dbraw/zinc/01/17/19/902011719.db2.gz	WDGPYLANESLGBT-QZTJIDSGSA-N	1	0	355.463	1.854	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCO[C@H]2CC)C1	ZINC001079139279	902022383	/nfs/dbraw/zinc/02/23/83/902022383.db2.gz	KUIMGYCRJTUEGX-NCYKPQTJSA-N	1	0	370.493	1.899	20	30		FDEDRO
C=CCOCC(=O)N1CC[NH+](CCCCCNC(=O)[C@@H]2C[C@H]2CC)CC1	ZINC001079166804	902039191	/nfs/dbraw/zinc/03/91/91/902039191.db2.gz	BEJBQKZBBWKGEW-QZTJIDSGSA-N	1	0	365.518	1.666	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CCc2ccnn2C)C1	ZINC001079174703	902056251	/nfs/dbraw/zinc/05/62/51/902056251.db2.gz	CPOUEPRCSCRFEN-ZOCIIQOWSA-N	1	0	369.444	1.846	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)CC[C@H]1c1ccc(F)cc1	ZINC001079155664	902073499	/nfs/dbraw/zinc/07/34/99/902073499.db2.gz	MGOFKXHZSLGDID-SQGPQFPESA-N	1	0	357.429	1.259	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCC(=O)N2)CC[C@H]1c1ccc(F)cc1	ZINC001079157882	902077701	/nfs/dbraw/zinc/07/77/01/902077701.db2.gz	HIGZAQDQYPQPRF-IPMKNSEASA-N	1	0	371.456	1.792	20	30		FDEDRO
C[C@H](C#N)C(=O)NCCCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)CC1	ZINC001079165924	902096206	/nfs/dbraw/zinc/09/62/06/902096206.db2.gz	MNVJUYDSTUNFEU-BPQIPLTHSA-N	1	0	360.502	1.623	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCCCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)CC1	ZINC001079165925	902096899	/nfs/dbraw/zinc/09/68/99/902096899.db2.gz	MNVJUYDSTUNFEU-RYQLBKOJSA-N	1	0	360.502	1.623	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1c1cccc(F)c1	ZINC001079198790	902099351	/nfs/dbraw/zinc/09/93/51/902099351.db2.gz	RLWXMOCVTDNRSY-WMLDXEAASA-N	1	0	356.401	1.637	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]1c1cccc(F)c1	ZINC001079201795	902101856	/nfs/dbraw/zinc/10/18/56/902101856.db2.gz	BWJUHEAXUKBMRB-JKSUJKDBSA-N	1	0	368.474	1.719	20	30		FDEDRO
CC1CC[NH+](CC(=O)N2C[C@@H](c3cccc(F)c3)[C@H](NCC#N)C2)CC1	ZINC001079204952	902109745	/nfs/dbraw/zinc/10/97/45/902109745.db2.gz	UZRXOLSEBNBGAD-RBUKOAKNSA-N	1	0	358.461	1.965	20	30		FDEDRO
N#CCN[C@@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C[C@H]1c1cccc(F)c1	ZINC001079208085	902113971	/nfs/dbraw/zinc/11/39/71/902113971.db2.gz	HTBUATUVLLZQQI-NSHGMRRFSA-N	1	0	356.445	1.719	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@]2(CC)CCNC2=O)C[C@H]1c1cccc(F)c1	ZINC001079187506	902133360	/nfs/dbraw/zinc/13/33/60/902133360.db2.gz	JYLPOOGEVNZASI-QKLQHJQFSA-N	1	0	359.445	1.812	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1c1cccc(F)c1	ZINC001079188586	902137259	/nfs/dbraw/zinc/13/72/59/902137259.db2.gz	HDUANXYKNKGBFT-ZWQIFLOQSA-N	1	0	361.461	1.615	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)S(C)(=O)=O)C[C@H]1c1cccc(F)c1	ZINC001079189198	902140210	/nfs/dbraw/zinc/14/02/10/902140210.db2.gz	IEZVAMOAIWRLNL-VBNZEHGJSA-N	1	0	354.447	1.329	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc3ncnn32)C[C@H]1c1cccc(F)c1	ZINC001079190427	902144722	/nfs/dbraw/zinc/14/47/22/902144722.db2.gz	RVNHJLNBQNGBDX-DLBZAZTESA-N	1	0	363.396	1.699	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3n[nH]c(C)c3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079231386	902165046	/nfs/dbraw/zinc/16/50/46/902165046.db2.gz	IJHLPMISBRQLQO-DLBZAZTESA-N	1	0	356.470	1.603	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3c[nH]c(C#N)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079235492	902174463	/nfs/dbraw/zinc/17/44/63/902174463.db2.gz	BELKOYRMPROCJH-ZWKOTPCHSA-N	1	0	352.438	1.463	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)C[C@H]3COC(=O)C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079235555	902174771	/nfs/dbraw/zinc/17/47/71/902174771.db2.gz	FDXZBJZQYBSISB-IXDOHACOSA-N	1	0	362.470	1.455	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC3(CC[NH+](CCCF)CC3)[C@H]3COC[C@H]32)[nH]1	ZINC001079236989	902177494	/nfs/dbraw/zinc/17/74/94/902177494.db2.gz	HQIWSFCKFDUPCS-DOTOQJQBSA-N	1	0	360.433	1.799	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)C3CC(OCC)C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079240294	902187064	/nfs/dbraw/zinc/18/70/64/902187064.db2.gz	FYTYUHYDXLOAMB-WZOJCFFYSA-N	1	0	360.498	1.764	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3cnnn3CC)[C@@H]3COC[C@@H]32)CC1	ZINC001079241233	902192144	/nfs/dbraw/zinc/19/21/44/902192144.db2.gz	QUZCCWOVGGQAHG-DOTOQJQBSA-N	1	0	359.474	1.427	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)CN3CCCC3=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079221850	902222869	/nfs/dbraw/zinc/22/28/69/902222869.db2.gz	KNWJXJOQHXTQAH-DLBZAZTESA-N	1	0	361.486	1.124	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3ccccc3O)[C@@H]3COC[C@@H]32)CC1	ZINC001079224763	902230748	/nfs/dbraw/zinc/23/07/48/902230748.db2.gz	CFNXQEVUSOWPRA-ZWKOTPCHSA-N	1	0	354.450	1.969	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC2(CC[NH+](CCc3ccnn3C)CC2)[C@H]2COC[C@H]21	ZINC001079228230	902241306	/nfs/dbraw/zinc/24/13/06/902241306.db2.gz	CEEKFTVUXSKIMV-RYQLBKOJSA-N	1	0	371.485	1.062	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)Cn3cc(C4CC4)cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079248112	902262860	/nfs/dbraw/zinc/26/28/60/902262860.db2.gz	IPYFLKWRRVGFHD-RBUKOAKNSA-N	1	0	370.497	1.886	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCc4nccn4C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079248406	902265789	/nfs/dbraw/zinc/26/57/89/902265789.db2.gz	XPMZKGLMRZXPJB-FGTMMUONSA-N	1	0	370.497	1.571	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cccc4[nH]ncc43)[C@@H]3COC[C@@H]32)CC1	ZINC001079254861	902283014	/nfs/dbraw/zinc/28/30/14/902283014.db2.gz	ZKVQGYDRLLMZME-PKOBYXMFSA-N	1	0	364.449	1.749	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cn4ccccc4n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079272679	902336440	/nfs/dbraw/zinc/33/64/40/902336440.db2.gz	SCXAQCAPLRHIMW-FUHWJXTLSA-N	1	0	364.449	1.521	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)Cc3c(C)noc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079272386	902336471	/nfs/dbraw/zinc/33/64/71/902336471.db2.gz	LRISZUZOSKVAML-RBUKOAKNSA-N	1	0	371.481	1.797	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)CCc3cncn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079272580	902336486	/nfs/dbraw/zinc/33/64/86/902336486.db2.gz	NPSMVBPTYJBSEN-ZWKOTPCHSA-N	1	0	358.486	1.478	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1c1ccccc1F	ZINC001079299261	902341648	/nfs/dbraw/zinc/34/16/48/902341648.db2.gz	GZIFVSWYTSRHHN-IWKCEXAMSA-N	1	0	359.445	1.062	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCCC(=O)N2)C[C@H]1c1ccccc1F	ZINC001079302422	902351812	/nfs/dbraw/zinc/35/18/12/902351812.db2.gz	YOJVSIRGJUKZAI-QILLFSRXSA-N	1	0	359.445	1.955	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@H](C)c3cnn(C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079276721	902362312	/nfs/dbraw/zinc/36/23/12/902362312.db2.gz	ZDDPPSVTARRXQT-BPQIPLTHSA-N	1	0	358.486	1.649	20	30		FDEDRO
C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1c1ccccc1F	ZINC001079291705	902391653	/nfs/dbraw/zinc/39/16/53/902391653.db2.gz	HESKEKIGJJVPOW-ULFGMLNVSA-N	1	0	356.401	1.604	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(OC)ncn2)C[C@H]1c1ccccc1F	ZINC001079295318	902398754	/nfs/dbraw/zinc/39/87/54/902398754.db2.gz	ALQMTIMHBATYRT-WMLDXEAASA-N	1	0	354.385	1.455	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3n[nH]nc3n2)C[C@H]1c1ccccc1F	ZINC001079297695	902403483	/nfs/dbraw/zinc/40/34/83/902403483.db2.gz	FZWRNMHSPOSEEI-SUMWQHHRSA-N	1	0	366.400	1.876	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN(C)C2=O)C[C@H]1c1ccccc1F	ZINC001079318751	902418951	/nfs/dbraw/zinc/41/89/51/902418951.db2.gz	WAOTYIHKXUEISJ-ZIFCJYIRSA-N	1	0	371.456	1.601	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2OC)C[C@H]1c1ccccc1F	ZINC001079319868	902420522	/nfs/dbraw/zinc/42/05/22/902420522.db2.gz	UHRKOTYDHJAMBK-DOTOQJQBSA-N	1	0	358.417	1.952	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1c1ccccc1F	ZINC001079311391	902447410	/nfs/dbraw/zinc/44/74/10/902447410.db2.gz	XWKHXEJEKQISOH-FUHWJXTLSA-N	1	0	355.417	1.104	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc(=O)n2C)C[C@H]1c1ccccc1F	ZINC001079311346	902447711	/nfs/dbraw/zinc/44/77/11/902447711.db2.gz	WFTLARPUXDOSHY-DOTOQJQBSA-N	1	0	353.397	1.355	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1c1ccccc1F	ZINC001079311390	902447752	/nfs/dbraw/zinc/44/77/52/902447752.db2.gz	XVVVEBCLJPOYMA-SUMWQHHRSA-N	1	0	356.401	1.637	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)C1=COCCO1	ZINC001079374260	902481936	/nfs/dbraw/zinc/48/19/36/902481936.db2.gz	FZQPWAJXKFYBTB-RHSMWYFYSA-N	1	0	357.410	1.414	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc3c2OCCO3)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC001079540693	902774147	/nfs/dbraw/zinc/77/41/47/902774147.db2.gz	VULZHRMAYWMTKK-CXAGYDPISA-N	1	0	366.421	1.908	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)Cc3cc(C)n[nH]3)C2)cc1C#N	ZINC001079559562	902803252	/nfs/dbraw/zinc/80/32/52/902803252.db2.gz	PJWWYHTUXZPWMQ-FZKQIMNGSA-N	1	0	367.453	1.778	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC001079588833	902843796	/nfs/dbraw/zinc/84/37/96/902843796.db2.gz	NSGWUDAXLSNKDS-CXAGYDPISA-N	1	0	366.421	1.908	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)Cc3nnc(C)[nH]3)C2)cc1C#N	ZINC001079668779	902990773	/nfs/dbraw/zinc/99/07/73/902990773.db2.gz	UBVXFUPHXDVUDR-MLGOLLRUSA-N	1	0	368.441	1.173	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CC[NH+]2CCCCC2)[nH]1	ZINC000996104180	903088129	/nfs/dbraw/zinc/08/81/29/903088129.db2.gz	OIKSZYXZYDMYBH-NJAFHUGGSA-N	1	0	369.469	1.624	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(C#N)[nH]2)C3)C1	ZINC000996110119	903114002	/nfs/dbraw/zinc/11/40/02/903114002.db2.gz	UXWATIPDCLXKKA-YVVXQTMVSA-N	1	0	355.442	1.090	20	30		FDEDRO
C[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001079710629	903121770	/nfs/dbraw/zinc/12/17/70/903121770.db2.gz	QAHKHMZHGHVTON-MAODMQOUSA-N	1	0	369.484	1.956	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1C	ZINC001079719830	903134793	/nfs/dbraw/zinc/13/47/93/903134793.db2.gz	DXCVQIGIRNNQIZ-AXUOBQJMSA-N	1	0	371.481	1.703	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1C	ZINC001079721071	903135985	/nfs/dbraw/zinc/13/59/85/903135985.db2.gz	KAJQIQGYIPIKIU-TVFCKZIOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(CC)C(=O)C[NH+](CC)CC)C1	ZINC001079817641	903336271	/nfs/dbraw/zinc/33/62/71/903336271.db2.gz	JHEABWJNPIGVFT-WMZOPIPTSA-N	1	0	351.491	1.369	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1	ZINC001079844012	903490028	/nfs/dbraw/zinc/49/00/28/903490028.db2.gz	VLEQHNBRNRWETJ-KBRIMQKVSA-N	1	0	355.910	1.819	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2sc(C)nc2C)C[C@H]1C	ZINC001079878296	903602591	/nfs/dbraw/zinc/60/25/91/903602591.db2.gz	QPYPOHWHZXAJJJ-XYPHTWIQSA-N	1	0	360.527	1.794	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(CC)C1CN(C(=O)CC[NH+](C)C)C1	ZINC001079850522	903626583	/nfs/dbraw/zinc/62/65/83/903626583.db2.gz	RAVQHKKKEUQQQU-WMZOPIPTSA-N	1	0	351.491	1.369	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(CC)C1CN(C(=O)CC[N@H+](C)CC)C1	ZINC001079850347	903626691	/nfs/dbraw/zinc/62/66/91/903626691.db2.gz	MUECDWJOVDXWGL-HKUYNNGSSA-N	1	0	365.518	1.759	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[C@H]1CCN(C)C1=O	ZINC001079915783	903670130	/nfs/dbraw/zinc/67/01/30/903670130.db2.gz	MHZVMTRWJXGUMH-ZTFGCOKTSA-N	1	0	354.454	1.363	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@]1(C)CCNC(=O)C1	ZINC001079954122	903757135	/nfs/dbraw/zinc/75/71/35/903757135.db2.gz	SNTNIZHROOBBBI-ZTQAJYAQSA-N	1	0	354.454	1.411	20	30		FDEDRO
C=C(Br)CN1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1	ZINC001080036981	903960493	/nfs/dbraw/zinc/96/04/93/903960493.db2.gz	AIJOBOVKYHZBKH-TZMCWYRMSA-N	1	0	356.308	1.960	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2	ZINC000996568439	904180207	/nfs/dbraw/zinc/18/02/07/904180207.db2.gz	XXHCHNLBUJYHLS-ZBRFXRBCSA-N	1	0	361.486	1.312	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)CC)CCC[C@@H]12	ZINC001107286472	904301928	/nfs/dbraw/zinc/30/19/28/904301928.db2.gz	JGDWYGQIUCSWAE-QMTMVMCOSA-N	1	0	364.490	1.405	20	30		FDEDRO
Cc1nn(C)cc1C[N@@H+]1CC[C@@]2(CNC(=O)CSCC#N)CCC[C@@H]12	ZINC001107289770	904310990	/nfs/dbraw/zinc/31/09/90/904310990.db2.gz	OVRIBYGCGGHRME-SJLPKXTDSA-N	1	0	361.515	1.846	20	30		FDEDRO
COC(=O)NCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccc(C#N)cc1)CC2	ZINC001107303106	904345525	/nfs/dbraw/zinc/34/55/25/904345525.db2.gz	KBDCPSNJGVCQMO-YLJYHZDGSA-N	1	0	370.453	1.775	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)OCCCC)CCC[C@@H]12	ZINC001107319357	904448472	/nfs/dbraw/zinc/44/84/72/904448472.db2.gz	LUBFAODDDIQSEW-MBOZVWFJSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCCCC1)CC2	ZINC001107330865	904463248	/nfs/dbraw/zinc/46/32/48/904463248.db2.gz	QVZPPKKDIXOKQD-YLJYHZDGSA-N	1	0	363.502	1.562	20	30		FDEDRO
CC(C)CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C#N)c[nH]3)CCC[C@@H]12	ZINC001107349551	904550595	/nfs/dbraw/zinc/55/05/95/904550595.db2.gz	GOLORBLMCQUOQO-YLJYHZDGSA-N	1	0	371.485	1.633	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CCCCO3)CCC[C@@H]12	ZINC001107358954	904583451	/nfs/dbraw/zinc/58/34/51/904583451.db2.gz	ARCOCJVDUBFBJC-SQGPQFPESA-N	1	0	363.502	1.609	20	30		FDEDRO
C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCCOC(C)C)CC2	ZINC001107373757	904602968	/nfs/dbraw/zinc/60/29/68/904602968.db2.gz	ANDXFOOXCWBNJY-YLJYHZDGSA-N	1	0	363.502	1.302	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(C)C(C)C)CC2	ZINC001107378852	904622388	/nfs/dbraw/zinc/62/23/88/904622388.db2.gz	PDYNIGRNNQPQLI-LSTHTHJFSA-N	1	0	365.518	1.541	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccncc3C)CCC[C@@H]12	ZINC001107395875	904705484	/nfs/dbraw/zinc/70/54/84/904705484.db2.gz	RUADRNOPXYWKFQ-YLJYHZDGSA-N	1	0	356.470	1.667	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CC(C)(C)C3CC3)CCC[C@@H]12	ZINC001107395833	904705810	/nfs/dbraw/zinc/70/58/10/904705810.db2.gz	QNAWDLAEJYIUGM-DYESRHJHSA-N	1	0	359.514	1.923	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3ccncc3C)CCC[C@@H]12	ZINC001107408522	904767802	/nfs/dbraw/zinc/76/78/02/904767802.db2.gz	YRRLBTLIYQFHHE-WIYYLYMNSA-N	1	0	370.497	1.596	20	30		FDEDRO
COc1ccc(CNC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1C#N	ZINC000764477504	904773018	/nfs/dbraw/zinc/77/30/18/904773018.db2.gz	WGUXMCDRKIMLSC-HNNXBMFYSA-N	1	0	360.458	1.867	20	30		FDEDRO
C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCCC1)CC2	ZINC001107401226	904775179	/nfs/dbraw/zinc/77/51/79/904775179.db2.gz	CWLDAYATGGCDSB-MBOZVWFJSA-N	1	0	361.486	1.008	20	30		FDEDRO
C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccn(C)c(=O)c1)CC2	ZINC001107401653	904781946	/nfs/dbraw/zinc/78/19/46/904781946.db2.gz	XXNUZTQYKVXUJW-HGHGUNKESA-N	1	0	371.481	1.284	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cc(C)ncn1)CC2	ZINC001107401754	904781985	/nfs/dbraw/zinc/78/19/85/904781985.db2.gz	BKKNPTHXYOVUKM-ILZDJORESA-N	1	0	356.470	1.684	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)Cc3nnn(C(C)(C)C)n3)CCC[C@@H]12	ZINC001107416992	904787295	/nfs/dbraw/zinc/78/72/95/904787295.db2.gz	YJCYVCNSXTWJDP-DNVCBOLYSA-N	1	0	360.506	1.908	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)NC(=O)CC)CCC[C@@H]12	ZINC001107417537	904788525	/nfs/dbraw/zinc/78/85/25/904788525.db2.gz	JKXMJLBRALVPCG-FRQCXROJSA-N	1	0	351.491	1.465	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C)nc(C)c3)CCC[C@@H]12	ZINC001107419462	904799775	/nfs/dbraw/zinc/79/97/75/904799775.db2.gz	XSSNGZJHRZZZIU-WIYYLYMNSA-N	1	0	368.481	1.422	20	30		FDEDRO
C=C(C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@@H](O)COCCOC)CC2	ZINC001107424501	904830369	/nfs/dbraw/zinc/83/03/69/904830369.db2.gz	QUZKBARCPSNLTR-QWFCFKBJSA-N	1	0	368.518	1.727	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)[C@H](OC)C1	ZINC001081683949	904933121	/nfs/dbraw/zinc/93/31/21/904933121.db2.gz	XGVJYXQKTVEDMQ-NCXUSEDFSA-N	1	0	372.513	1.936	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)COCc3cc[nH]c(=O)c3)CCC[C@@H]12	ZINC001107448135	904966009	/nfs/dbraw/zinc/96/60/09/904966009.db2.gz	DNJXXMPCUSKMRJ-YLJYHZDGSA-N	1	0	357.454	1.688	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1cnn2cccnc12	ZINC001080242199	904989313	/nfs/dbraw/zinc/98/93/13/904989313.db2.gz	OPUBRVQBEDBVIG-RDTXWAMCSA-N	1	0	360.421	1.851	20	30		FDEDRO
C=CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCNS(=O)(=O)CC)C2	ZINC001111649995	904992209	/nfs/dbraw/zinc/99/22/09/904992209.db2.gz	ADOBQPXSWLRVJJ-RDJZCZTQSA-N	1	0	357.520	1.253	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1OC	ZINC001081766873	905051514	/nfs/dbraw/zinc/05/15/14/905051514.db2.gz	HJVMHTGUPCDSKI-VAMGGRTRSA-N	1	0	370.497	1.748	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](CCC)S(N)(=O)=O)CCC[C@@H]12	ZINC001107485165	905159319	/nfs/dbraw/zinc/15/93/19/905159319.db2.gz	NCZBZQTZHXRYOI-ZMSDIMECSA-N	1	0	357.520	1.381	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CCn3ncn(C)c3=O)CCC[C@@H]12	ZINC001107487470	905167217	/nfs/dbraw/zinc/16/72/17/905167217.db2.gz	UGRQJOOUWZTKKS-VQIMIIECSA-N	1	0	361.490	1.299	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CC=CCC3)CCC[C@@H]12	ZINC001107500487	905240734	/nfs/dbraw/zinc/24/07/34/905240734.db2.gz	GOOAAMHOSLVJPK-MBOZVWFJSA-N	1	0	358.486	1.733	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C	ZINC001081856842	905246000	/nfs/dbraw/zinc/24/60/00/905246000.db2.gz	NCJNHWLVHLZDIP-IXDOHACOSA-N	1	0	362.499	1.419	20	30		FDEDRO
C=CC(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCCCOC)CC2	ZINC001107503100	905259739	/nfs/dbraw/zinc/25/97/39/905259739.db2.gz	SJBIJLHIXOZJTD-OXQOHEQNSA-N	1	0	365.518	1.712	20	30		FDEDRO
C#CCN(C(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1)C1CC1	ZINC000764686570	905382629	/nfs/dbraw/zinc/38/26/29/905382629.db2.gz	WVRMXNYKMKOZKG-UHFFFAOYSA-N	1	0	364.490	1.736	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)CCC[C@@H]12	ZINC001107549892	905499297	/nfs/dbraw/zinc/49/92/97/905499297.db2.gz	JWSOBQWILHNWRH-AXVVYFOYSA-N	1	0	363.502	1.451	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccn(C)c3CC)CCC[C@@H]12	ZINC001107546533	905514667	/nfs/dbraw/zinc/51/46/67/905514667.db2.gz	GSVOVASLTVPBJE-WIYYLYMNSA-N	1	0	370.497	1.311	20	30		FDEDRO
Cn1cc(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2cccc(C#N)c2)C3)nn1	ZINC001098822834	905523367	/nfs/dbraw/zinc/52/33/67/905523367.db2.gz	WWRZUGLFXRSHBI-LPHOPBHVSA-N	1	0	350.426	1.471	20	30		FDEDRO
C#CCCN1CC[NH+](C2CCC(NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)CC1	ZINC000996788575	905523538	/nfs/dbraw/zinc/52/35/38/905523538.db2.gz	ZCHOZBSNDFCGQZ-TVWAUZDGSA-N	1	0	371.525	1.478	20	30		FDEDRO
C[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2)c1ccco1	ZINC001107547370	905531261	/nfs/dbraw/zinc/53/12/61/905531261.db2.gz	KVGLNZXFKNDLGM-ZSZQSSIHSA-N	1	0	358.442	1.384	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3[nH]c(C)nc3C)CCC[C@@H]12	ZINC001107553063	905562425	/nfs/dbraw/zinc/56/24/25/905562425.db2.gz	ZVEVMCAKIMRZGW-DNVCBOLYSA-N	1	0	359.474	1.303	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)NS(C)(=O)=O)CCC[C@@H]12	ZINC001107559054	905613612	/nfs/dbraw/zinc/61/36/12/905613612.db2.gz	XMGQDESMFHLDBG-BFYDXBDKSA-N	1	0	357.520	1.251	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC#CCOC)CC3)nn1	ZINC001107571151	905650240	/nfs/dbraw/zinc/65/02/40/905650240.db2.gz	UNHHUNOZTDVVIU-IEBWSBKVSA-N	1	0	357.458	1.088	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc(COC)on3)CCC[C@@H]12	ZINC001107569604	905690040	/nfs/dbraw/zinc/69/00/40/905690040.db2.gz	GEBCFEZCXHOAKL-IEBWSBKVSA-N	1	0	361.442	1.445	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCOc3ccc(C)cc3)C[C@H]2C)nn1	ZINC001080578811	905731892	/nfs/dbraw/zinc/73/18/92/905731892.db2.gz	BHVHQENKXDFZAO-SJLPKXTDSA-N	1	0	369.469	1.902	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCCN1C(=O)C[NH+](CC)CC	ZINC001082090651	905815768	/nfs/dbraw/zinc/81/57/68/905815768.db2.gz	GIYYRZDILKJKJR-LNLFQRSKSA-N	1	0	365.518	1.807	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(OC)o3)CCC[C@@H]12	ZINC001107583316	905818135	/nfs/dbraw/zinc/81/81/35/905818135.db2.gz	WLMJXVFRTBATDM-DNVCBOLYSA-N	1	0	359.426	1.012	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)CCOC)CCC[C@@H]12	ZINC001107594219	905880696	/nfs/dbraw/zinc/88/06/96/905880696.db2.gz	GQODKYKLMKLJNM-OXQOHEQNSA-N	1	0	365.518	1.712	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)COCc3ncnn3C)CCC[C@@H]12	ZINC001107594943	905884793	/nfs/dbraw/zinc/88/47/93/905884793.db2.gz	XNLLRYYKWZWVQM-RHSMWYFYSA-N	1	0	367.881	1.445	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)c3cscn3)CCC[C@@H]12	ZINC001107599476	905903269	/nfs/dbraw/zinc/90/32/69/905903269.db2.gz	GLMCOAPVOCBMPL-CRAIPNDOSA-N	1	0	360.483	1.257	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)Cc4nc[nH]n4)CCC[C@@H]23)s1	ZINC001107604151	905944306	/nfs/dbraw/zinc/94/43/06/905944306.db2.gz	IKENFMKIYSXWNN-CRAIPNDOSA-N	1	0	370.482	1.841	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3conc3COC)CCC[C@@H]12	ZINC001107606223	905952064	/nfs/dbraw/zinc/95/20/64/905952064.db2.gz	QNVYFNXSXNMBIK-IEBWSBKVSA-N	1	0	363.458	1.998	20	30		FDEDRO
CC(C)n1cc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)nn1	ZINC001080685046	905958732	/nfs/dbraw/zinc/95/87/32/905958732.db2.gz	QRDJKWBRWAPSEO-RHSMWYFYSA-N	1	0	352.442	1.981	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)CCc3cncn3C)CCC[C@@H]12	ZINC001107622842	906024631	/nfs/dbraw/zinc/02/46/31/906024631.db2.gz	BQPYSQDSMQSBSZ-UYAOXDASSA-N	1	0	360.502	1.916	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CCc3ccc4c(c3)CCO4)C[C@H]2O)C1	ZINC001077645427	906172248	/nfs/dbraw/zinc/17/22/48/906172248.db2.gz	GMNWCWIDTXXIRZ-QZTJIDSGSA-N	1	0	356.466	1.682	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)CCCCCS(N)(=O)=O)CCC[C@@H]12	ZINC001107662764	906290392	/nfs/dbraw/zinc/29/03/92/906290392.db2.gz	HJJKDYJEMRQYOG-SJLPKXTDSA-N	1	0	371.547	1.772	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2OC)cc1	ZINC001082211992	906293570	/nfs/dbraw/zinc/29/35/70/906293570.db2.gz	RZNDDPKMGLEMTH-ATZDWAIDSA-N	1	0	358.438	1.164	20	30		FDEDRO
C[C@@H]1CN(Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C12CC[NH+](CC1)C2	ZINC001080787834	906316789	/nfs/dbraw/zinc/31/67/89/906316789.db2.gz	VAABWZJDXOQBMB-RDTXWAMCSA-N	1	0	356.445	1.730	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cnn3cccc(OC)c23)[C@H](OC)C1	ZINC001082245025	906398157	/nfs/dbraw/zinc/39/81/57/906398157.db2.gz	VMZHOEHDHITVEV-NVXWUHKLSA-N	1	0	358.442	1.738	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1C	ZINC001080850271	906443980	/nfs/dbraw/zinc/44/39/80/906443980.db2.gz	GLURATLHGXOSEL-SPYBWZPUSA-N	1	0	353.466	1.314	20	30		FDEDRO
C#CCC[NH2+][C@H]1CCN(c2cccc(CNC(=O)[C@@H]3CCO[C@H]3CC)n2)C1	ZINC001127838575	906571733	/nfs/dbraw/zinc/57/17/33/906571733.db2.gz	AATIJLMJESGZOT-OTWHNJEPSA-N	1	0	370.497	1.705	20	30		FDEDRO
CC[C@@H]1C[C@H]1C(=O)NCc1cccc(N2CC[C@@H]([NH2+]CC#CCOC)C2)n1	ZINC001127845780	906717834	/nfs/dbraw/zinc/71/78/34/906717834.db2.gz	KZYXMHAZVOLZLL-BHIYHBOVSA-N	1	0	370.497	1.562	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OC	ZINC001082332213	906814073	/nfs/dbraw/zinc/81/40/73/906814073.db2.gz	YSVVQKFBXKJCOX-RTBURBONSA-N	1	0	365.433	1.723	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCS(=O)(=O)C1)C2	ZINC001112539293	906896117	/nfs/dbraw/zinc/89/61/17/906896117.db2.gz	SURXAODUBZCTTG-BQFCYCMXSA-N	1	0	354.516	1.606	20	30		FDEDRO
C#CCN(C(=O)NCc1cnn(CC(F)(F)F)c1)C1CC[NH+](C)CC1	ZINC000921511783	906909187	/nfs/dbraw/zinc/90/91/87/906909187.db2.gz	GRNYLHFMYRRJEW-UHFFFAOYSA-N	1	0	357.380	1.684	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2ncnn2C(C)(C)C)CC1	ZINC000997010976	906923233	/nfs/dbraw/zinc/92/32/33/906923233.db2.gz	FOFZHAHBEXZSJG-CVEARBPZSA-N	1	0	361.490	1.705	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]CCn2cc(Cl)cn2)CC1	ZINC000997012326	906928854	/nfs/dbraw/zinc/92/88/54/906928854.db2.gz	QLESUQMWVTWVMV-CVEARBPZSA-N	1	0	352.866	1.708	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccccc2CC)C[C@H]1O	ZINC001077698102	906939509	/nfs/dbraw/zinc/93/95/09/906939509.db2.gz	SCQCFZNNFGLVFU-WTGUMLROSA-N	1	0	358.482	1.544	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)[C@H](OC)C1	ZINC001082348183	906951769	/nfs/dbraw/zinc/95/17/69/906951769.db2.gz	NULOUYCPIXSGEM-HZPDHXFCSA-N	1	0	357.414	1.126	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3conc3CC)C[C@H]2C)CC1	ZINC001080998083	906974578	/nfs/dbraw/zinc/97/45/78/906974578.db2.gz	RMRGFFPWAWBJTM-DNVCBOLYSA-N	1	0	358.486	1.519	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CS(=O)(=O)N(CC)CC)C2	ZINC001112539358	906997946	/nfs/dbraw/zinc/99/79/46/906997946.db2.gz	WIXJUOBLENVVKD-WMZOPIPTSA-N	1	0	371.547	1.452	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1	ZINC001077715260	907112743	/nfs/dbraw/zinc/11/27/43/907112743.db2.gz	HHRVMSDWHLGHDM-XHSDSOJGSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nnnn2C2CC2)CC1	ZINC000997080269	907198634	/nfs/dbraw/zinc/19/86/34/907198634.db2.gz	NRNHBAIZJIMCDH-RDJZCZTQSA-N	1	0	360.462	1.070	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+]Cc2c(C)nnn2CC)CC1	ZINC000997082174	907202672	/nfs/dbraw/zinc/20/26/72/907202672.db2.gz	XYVSJHVKGLRGGK-WMZOPIPTSA-N	1	0	361.490	1.668	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(=O)c(OC)c[nH]2)C[C@H]1c1ccccc1	ZINC001081147022	907260249	/nfs/dbraw/zinc/26/02/49/907260249.db2.gz	WDLFXWZHYSWUQI-DOTOQJQBSA-N	1	0	353.422	1.767	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](Cn2cccn2)N(C)C)C[C@H]1c1ccccc1	ZINC001081125861	907308065	/nfs/dbraw/zinc/30/80/65/907308065.db2.gz	UCGCOYQYXWHEFN-ZCNNSNEGSA-N	1	0	365.481	1.031	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C(N)=O)C[C@H]1c1ccccc1	ZINC001081213992	907321925	/nfs/dbraw/zinc/32/19/25/907321925.db2.gz	YVTDJUQFQWFRFQ-RCCFBDPRSA-N	1	0	356.470	1.690	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(OC)cc[nH]c2=O)C[C@H]1c1ccccc1	ZINC001081216012	907324578	/nfs/dbraw/zinc/32/45/78/907324578.db2.gz	YIBDGCLGPTWDIC-JKSUJKDBSA-N	1	0	351.406	1.627	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)[nH]c(=O)n3C)[C@H](OC)C1	ZINC001082386175	907409412	/nfs/dbraw/zinc/40/94/12/907409412.db2.gz	VQIAYNGEWJISKU-NVXWUHKLSA-N	1	0	358.442	1.674	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082415420	907644360	/nfs/dbraw/zinc/64/43/60/907644360.db2.gz	BUYDCYKASVLHGQ-FZKQIMNGSA-N	1	0	354.385	1.581	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)n3cccn3)C[C@H]2C)cc1C#N	ZINC001082433125	907702557	/nfs/dbraw/zinc/70/25/57/907702557.db2.gz	LXYJMTKMBLRYFL-IIDMSEBBSA-N	1	0	367.453	1.961	20	30		FDEDRO
Cc1cnn(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(C#N)ccc3F)C2)c1	ZINC001082439960	907772413	/nfs/dbraw/zinc/77/24/13/907772413.db2.gz	VREFZMIZRYZYJX-RDTXWAMCSA-N	1	0	355.417	1.839	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1C	ZINC001082443557	907790156	/nfs/dbraw/zinc/79/01/56/907790156.db2.gz	PYJJMZKKEUSWOZ-CZUORRHYSA-N	1	0	353.426	1.551	20	30		FDEDRO
Cc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(C#N)ccc3F)C2)nnn1C	ZINC001082456999	907860660	/nfs/dbraw/zinc/86/06/60/907860660.db2.gz	YTLIBFAUWXDUCC-BDJLRTHQSA-N	1	0	356.405	1.385	20	30		FDEDRO
COc1coc(C[NH2+][C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)cc1=O	ZINC001082464683	907898459	/nfs/dbraw/zinc/89/84/59/907898459.db2.gz	AFNHNUFXLLGIPV-IAQYHMDHSA-N	1	0	356.382	1.098	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]CC(=O)N1CCCCCCC1	ZINC001082480170	907947689	/nfs/dbraw/zinc/94/76/89/907947689.db2.gz	KHSPTBJMITXAPW-CRAIPNDOSA-N	1	0	371.485	1.729	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC2OCCCO2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082486982	907981336	/nfs/dbraw/zinc/98/13/36/907981336.db2.gz	FSBTXSLQSMWDOS-CXAGYDPISA-N	1	0	361.417	1.787	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)Cc2cncnc2)C[C@H]1C	ZINC001082491375	908004434	/nfs/dbraw/zinc/00/44/34/908004434.db2.gz	ADSLRBIZNAPQDU-RDTXWAMCSA-N	1	0	365.437	1.536	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cncnc2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082491400	908004790	/nfs/dbraw/zinc/00/47/90/908004790.db2.gz	DPOWZXOYVKWPRN-FZKQIMNGSA-N	1	0	353.401	1.667	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@@H](OC)C2CC2)C[C@H]1C	ZINC001082493942	908021098	/nfs/dbraw/zinc/02/10/98/908021098.db2.gz	QSSDEYSIZWYPQC-XVSDVWIESA-N	1	0	357.454	1.928	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(C#N)[nH]1	ZINC000997337305	908260641	/nfs/dbraw/zinc/26/06/41/908260641.db2.gz	NLAAFEZYSIOWLI-UBDQQSCGSA-N	1	0	369.469	1.622	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1CC[NH+](CC(=O)NC2CC2)CC1	ZINC000997348529	908281470	/nfs/dbraw/zinc/28/14/70/908281470.db2.gz	OZRUQIVZAXIKCK-LJHODMEESA-N	1	0	363.502	1.463	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccnn3CCC)C[C@H]2C)C1=O	ZINC001082535576	908315197	/nfs/dbraw/zinc/31/51/97/908315197.db2.gz	IGHSQEDCKDMVRK-BZUAXINKSA-N	1	0	359.474	1.130	20	30		FDEDRO
C=CCn1c(-c2ccccn2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000282155526	908320579	/nfs/dbraw/zinc/32/05/79/908320579.db2.gz	CLNSWQMSYMHYHS-MRXNPFEDSA-N	1	0	354.458	1.685	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccco2)CC1	ZINC000997357830	908326192	/nfs/dbraw/zinc/32/61/92/908326192.db2.gz	QLTZWVHEXLDMIB-IKGGRYGDSA-N	1	0	355.438	1.487	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](CC)OC)CC1	ZINC000997357676	908327028	/nfs/dbraw/zinc/32/70/28/908327028.db2.gz	NITURWGJQPTDLE-OWSLCNJRSA-N	1	0	361.486	1.005	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3c(C)cccc3C)C[C@H]2O)nn1	ZINC001077802678	908348765	/nfs/dbraw/zinc/34/87/65/908348765.db2.gz	UGMMNXGGQTWSIT-SJLPKXTDSA-N	1	0	355.442	1.056	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2c[nH]cn2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082549483	908486936	/nfs/dbraw/zinc/48/69/36/908486936.db2.gz	BUEGKNGKHKZPDB-FZKQIMNGSA-N	1	0	355.417	1.990	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CN(Cc3ccccc3C#N)CCO2)CC[N@@H+]1C	ZINC001107954922	908500570	/nfs/dbraw/zinc/50/05/70/908500570.db2.gz	YSRKXZLETWXORG-BSIFCXSSSA-N	1	0	370.497	1.606	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@]2(C3CCCC3)CCNC2=O)C[C@H]1C	ZINC001082571953	908569925	/nfs/dbraw/zinc/56/99/25/908569925.db2.gz	HLAHZXIVOGWQBU-DWQUBVKVSA-N	1	0	353.894	1.872	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)C1	ZINC001082560533	908621638	/nfs/dbraw/zinc/62/16/38/908621638.db2.gz	CKIYHNOROZKHMF-BRWVUGGUSA-N	1	0	358.486	1.734	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnc3n[nH]nc3c2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082563294	908652554	/nfs/dbraw/zinc/65/25/54/908652554.db2.gz	SMMLRYWLBMRWHB-SJKOYZFVSA-N	1	0	361.409	1.475	20	30		FDEDRO
Cc1nc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)c(=O)[nH]c1C	ZINC001082585681	908902217	/nfs/dbraw/zinc/90/22/17/908902217.db2.gz	ZMKAXEXBEULCLK-SJKOYZFVSA-N	1	0	365.437	1.509	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCn3ccnc3C2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082604643	908928358	/nfs/dbraw/zinc/92/83/58/908928358.db2.gz	WJDRIYPUUNAEHF-JTDSTZFVSA-N	1	0	363.465	1.954	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@@H]1O	ZINC001083789608	908988377	/nfs/dbraw/zinc/98/83/77/908988377.db2.gz	LJKLAKKSUYCZMS-ZRNYENFQSA-N	1	0	356.466	1.428	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CCc3ccncc3)C[C@H]2C)C1=O	ZINC001082610602	909000110	/nfs/dbraw/zinc/00/01/10/909000110.db2.gz	RJRIWLPRFDWRKF-KBAYOESNSA-N	1	0	356.470	1.238	20	30		FDEDRO
CCO[C@@H](CNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1)C[NH+](C)C	ZINC000921631268	909013563	/nfs/dbraw/zinc/01/35/63/909013563.db2.gz	AMOJIZCUHWASST-HNNXBMFYSA-N	1	0	353.488	1.733	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@@H]1O	ZINC001083789742	909024512	/nfs/dbraw/zinc/02/45/12/909024512.db2.gz	TZIHIRABPDLOAL-YRXWBPOGSA-N	1	0	367.449	1.487	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccccc3COC)C[C@H]2C)C1=O	ZINC001082615398	909056502	/nfs/dbraw/zinc/05/65/02/909056502.db2.gz	AWHCMFWDSDPSBK-ATZDWAIDSA-N	1	0	371.481	1.670	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn3c2OCCC3)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082618368	909086227	/nfs/dbraw/zinc/08/62/27/909086227.db2.gz	DYUXRCXLJPHKOA-RDTXWAMCSA-N	1	0	365.437	1.788	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn3c2OCCC3)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082618325	909087137	/nfs/dbraw/zinc/08/71/37/909087137.db2.gz	BLZVMMDKPDOTKX-RDTXWAMCSA-N	1	0	365.437	1.788	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cccnc3C3CC3)C[C@H]2C)C1=O	ZINC001082618437	909087806	/nfs/dbraw/zinc/08/78/06/909087806.db2.gz	JLSKVGJWLMLHIC-ZTFGCOKTSA-N	1	0	368.481	1.796	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2ccnnc2C)C[C@H]1C	ZINC001082620682	909125174	/nfs/dbraw/zinc/12/51/74/909125174.db2.gz	NXXCAXGZPVYTTM-FZKQIMNGSA-N	1	0	365.437	1.916	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccc(C)c(OC)c3)C[C@H]2C)C1=O	ZINC001082629174	909164449	/nfs/dbraw/zinc/16/44/49/909164449.db2.gz	UGHXEIIMOAVTLR-BPQIPLTHSA-N	1	0	371.481	1.841	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccc(COC)o3)C[C@H]2C)C1=O	ZINC001082631139	909176907	/nfs/dbraw/zinc/17/69/07/909176907.db2.gz	WPCRHAKTZXOCEV-VNQPRFMTSA-N	1	0	361.442	1.263	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cc(=O)c(OC)co2)C[C@H]1C	ZINC001082644590	909295452	/nfs/dbraw/zinc/29/54/52/909295452.db2.gz	UWLPELBZCGGLNA-MWLCHTKSSA-N	1	0	371.231	1.607	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccc(=O)[nH]c2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082648632	909335327	/nfs/dbraw/zinc/33/53/27/909335327.db2.gz	MTMZZOVRRJZUEP-RDTXWAMCSA-N	1	0	350.422	1.838	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccc(=O)[nH]c2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082649044	909337561	/nfs/dbraw/zinc/33/75/61/909337561.db2.gz	OLUGDPMZIATKAC-RDTXWAMCSA-N	1	0	350.422	1.838	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccc(=O)[nH]c2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082649065	909337788	/nfs/dbraw/zinc/33/77/88/909337788.db2.gz	QGIUTPYNFXPCPA-FZKQIMNGSA-N	1	0	368.412	1.977	20	30		FDEDRO
COc1nc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)co1	ZINC001082667143	909465836	/nfs/dbraw/zinc/46/58/36/909465836.db2.gz	CDOFKKMRYKXAMG-IAQYHMDHSA-N	1	0	358.373	1.944	20	30		FDEDRO
Cc1noc(CCC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)n1	ZINC001082674812	909524074	/nfs/dbraw/zinc/52/40/74/909524074.db2.gz	BOKXCDMYYHASPF-SJKOYZFVSA-N	1	0	371.416	1.958	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCn3c(C)csc3=O)C2)cc1	ZINC001082678766	909565396	/nfs/dbraw/zinc/56/53/96/909565396.db2.gz	QXQGKOSBTDYGFL-RDTXWAMCSA-N	1	0	369.490	1.950	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082694334	909638528	/nfs/dbraw/zinc/63/85/28/909638528.db2.gz	MJYORTORLHFFGN-ISTRZQFTSA-N	1	0	358.417	1.112	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)C3(C(C)(F)F)CC3)C[C@H]2C)C1=O	ZINC001082746956	909689950	/nfs/dbraw/zinc/68/99/50/909689950.db2.gz	MUKCKPSAZCHOAK-MGPQQGTHSA-N	1	0	355.429	1.645	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](CC(=O)N(C)C)CC1	ZINC000997786255	909696166	/nfs/dbraw/zinc/69/61/66/909696166.db2.gz	BWMYCIORJCGQJV-IEZWGBDMSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](CC(=O)NC)CC1	ZINC000997787654	909703923	/nfs/dbraw/zinc/70/39/23/909703923.db2.gz	WMNUSVWOFANBGB-ZVZYQTTQSA-N	1	0	351.491	1.320	20	30		FDEDRO
Cc1ncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3F)C2)n1C	ZINC001082705982	909722872	/nfs/dbraw/zinc/72/28/72/909722872.db2.gz	OBSSLUNETUDSDX-SJKOYZFVSA-N	1	0	355.417	1.990	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(S(C)(=O)=O)o3)C2)C1	ZINC001082729717	909860223	/nfs/dbraw/zinc/86/02/23/909860223.db2.gz	XWPRWMKIJMQFSZ-UKRRQHHQSA-N	1	0	366.483	1.976	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cccc4c3OCC4)C[C@H]2C)C1=O	ZINC001082759074	910027943	/nfs/dbraw/zinc/02/79/43/910027943.db2.gz	LCUOYRHGVRJCSV-ZTFGCOKTSA-N	1	0	369.465	1.459	20	30		FDEDRO
C#CCC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@]13CCC[C@H]1OCC3)CC2	ZINC001128012184	910047380	/nfs/dbraw/zinc/04/73/80/910047380.db2.gz	KREXWKHNKWCXRQ-QINHECLXSA-N	1	0	371.485	1.171	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cccc(OCC)c3)C[C@H]2C)C1=O	ZINC001082766210	910059287	/nfs/dbraw/zinc/05/92/87/910059287.db2.gz	GDMQMNMTSIKUBN-AYOQOUSVSA-N	1	0	371.481	1.922	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cn(CC)nc3C)C[C@H]2C)C1=O	ZINC001082772698	910092130	/nfs/dbraw/zinc/09/21/30/910092130.db2.gz	ZOZGIGSYQZXKKH-XOKHGSTOSA-N	1	0	359.474	1.048	20	30		FDEDRO
C#CCC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)C[C@@H]1C[C@H]1C1CC1)CC2	ZINC001128013077	910099904	/nfs/dbraw/zinc/09/99/04/910099904.db2.gz	UYLOJEKUOREUDO-ULQDDVLXSA-N	1	0	355.486	1.648	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cn(C)nc3C)C2)cc1	ZINC001082789883	910155824	/nfs/dbraw/zinc/15/58/24/910155824.db2.gz	ZCOQJDUIVLIICO-FOIQADDNSA-N	1	0	366.465	1.991	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cn[nH]c2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082794817	910206207	/nfs/dbraw/zinc/20/62/07/910206207.db2.gz	KLPKYNUXCVLSPY-FZKQIMNGSA-N	1	0	355.417	1.990	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cncc(Cl)c3)C[C@H]2C)C1=O	ZINC001082805918	910210046	/nfs/dbraw/zinc/21/00/46/910210046.db2.gz	MIEUDTALGBUEMB-UHOFOFEASA-N	1	0	362.861	1.572	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@H]1C	ZINC001082802662	910226877	/nfs/dbraw/zinc/22/68/77/910226877.db2.gz	PWAMNXLDFJQLLS-XOKHGSTOSA-N	1	0	370.453	1.172	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1	ZINC000998046271	910233439	/nfs/dbraw/zinc/23/34/39/910233439.db2.gz	OCGVGUIERSJUOI-ZNMIVQPWSA-N	1	0	362.392	1.669	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nnc(CC)n2C)CC1	ZINC000998093736	910330869	/nfs/dbraw/zinc/33/08/69/910330869.db2.gz	CNVAKGNBPLJQLM-CVEARBPZSA-N	1	0	361.490	1.297	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+][C@@H](C)c2nnc(CC)[nH]2)CC1	ZINC000998095749	910336265	/nfs/dbraw/zinc/33/62/65/910336265.db2.gz	WDVQHVVUZMEJTR-IMJJTQAJSA-N	1	0	361.490	1.847	20	30		FDEDRO
COc1ncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3F)C2)cn1	ZINC001082838250	910373766	/nfs/dbraw/zinc/37/37/66/910373766.db2.gz	FKUUVXHNRJHXBR-SJKOYZFVSA-N	1	0	369.400	1.746	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3csc(Cl)n3)C[C@H]2C)C1=O	ZINC001082843704	910411384	/nfs/dbraw/zinc/41/13/84/910411384.db2.gz	YDBAGCNXTIJZIK-GRYCIOLGSA-N	1	0	368.890	1.634	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC(=O)NC2)[C@H](OC)C1	ZINC001212395852	910750145	/nfs/dbraw/zinc/75/01/45/910750145.db2.gz	QEXFXJIRTCGJBF-BRWVUGGUSA-N	1	0	353.507	1.689	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]2OC)CCC1	ZINC001212399509	910961785	/nfs/dbraw/zinc/96/17/85/910961785.db2.gz	NLSRZHFFTSWBRF-KZNAEPCWSA-N	1	0	366.502	1.029	20	30		FDEDRO
CCN1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)s3)C2)C1	ZINC001082933915	910989783	/nfs/dbraw/zinc/98/97/83/910989783.db2.gz	ORFWPTIMTUTVPK-XYPHTWIQSA-N	1	0	362.499	1.277	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3c(C)nsc3C)C[C@H]2C)C1=O	ZINC001082948713	911088093	/nfs/dbraw/zinc/08/80/93/911088093.db2.gz	WAWZEOWTWZSJFT-KCPJHIHWSA-N	1	0	362.499	1.597	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2ccc(=O)n(Cc3nc(C)no3)c2)CC1	ZINC000527041420	911110545	/nfs/dbraw/zinc/11/05/45/911110545.db2.gz	NNEIATCTRDJSNI-UHFFFAOYSA-N	1	0	371.441	1.358	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCCc1c[nH]nn1	ZINC000273158886	911153686	/nfs/dbraw/zinc/15/36/86/911153686.db2.gz	BLLPODIIOSTIMO-UHFFFAOYSA-N	1	0	354.458	1.980	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(C#N)[nH]2)C1	ZINC000998625896	911330845	/nfs/dbraw/zinc/33/08/45/911330845.db2.gz	PQGOGCCJVMAVHR-IRWJRLHMSA-N	1	0	355.442	1.090	20	30		FDEDRO
CC(C)[N@@H+]1CCCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1	ZINC000727824001	911360736	/nfs/dbraw/zinc/36/07/36/911360736.db2.gz	PRFXYZMUNMZOFZ-UHFFFAOYSA-N	1	0	369.469	1.696	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)cc1	ZINC000998656469	911413105	/nfs/dbraw/zinc/41/31/05/911413105.db2.gz	QWGIYDVXCJUBTC-QYZOEREBSA-N	1	0	363.461	1.625	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2c(C)oc3nc[nH]c(=O)c32)[C@H](OC)C1	ZINC001212406559	911419488	/nfs/dbraw/zinc/41/94/88/911419488.db2.gz	YEPQHKHTRROYSW-CHWSQXEVSA-N	1	0	360.414	1.632	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3[nH]nc4c3cccc4OC)[C@H]2C1	ZINC001083095594	911990056	/nfs/dbraw/zinc/99/00/56/911990056.db2.gz	OJUJKPNJELDQPR-GOEBONIOSA-N	1	0	356.426	1.673	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(Br)n[nH]3)[C@H]2C1	ZINC001083097942	911998363	/nfs/dbraw/zinc/99/83/63/911998363.db2.gz	ZYUPGWXOLVPOKU-QWHCGFSZSA-N	1	0	369.263	1.664	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3nn4c(c3C)OCCC4)[C@H]2C1	ZINC001083099862	912008295	/nfs/dbraw/zinc/00/82/95/912008295.db2.gz	ITQDFKUIALTCET-JKSUJKDBSA-N	1	0	360.458	1.465	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](CC)[NH+](C)C)cc1	ZINC000999073658	912028097	/nfs/dbraw/zinc/02/80/97/912028097.db2.gz	URYPZHRZPNUCOE-XWSJACJDSA-N	1	0	353.466	1.870	20	30		FDEDRO
C=CCC(C)(C)C(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1	ZINC001065206885	915089964	/nfs/dbraw/zinc/08/99/64/915089964.db2.gz	NNFBHVAUKNBHDS-BZUAXINKSA-N	1	0	351.491	1.273	20	30		FDEDRO
Cc1cc(CC(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)n(C)n1	ZINC001084515221	915213058	/nfs/dbraw/zinc/21/30/58/915213058.db2.gz	WBJWMHYACMYDMO-UYAOXDASSA-N	1	0	363.465	1.876	20	30		FDEDRO
C[C@@]1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)CNC(=O)C1	ZINC001084541540	915268003	/nfs/dbraw/zinc/26/80/03/915268003.db2.gz	SCKCGYBYQSXEKF-HLIPFELVSA-N	1	0	352.438	1.117	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(CC#Cc4ccccc4)C[C@H]32)C1	ZINC001084662733	915923396	/nfs/dbraw/zinc/92/33/96/915923396.db2.gz	VGVRNSJQXVXSQG-CEWLAPEOSA-N	1	0	351.494	1.913	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NCc1ccccc1CN1CC[NH+](CC)CC1	ZINC000730106304	916096490	/nfs/dbraw/zinc/09/64/90/916096490.db2.gz	XVBMPZPOCXHZDJ-NRFANRHFSA-N	1	0	368.525	1.538	20	30		FDEDRO
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](C)CN1CC[NH+](C)CC1	ZINC000730227336	916366107	/nfs/dbraw/zinc/36/61/07/916366107.db2.gz	CFFACJUHZYGPFE-AWEZNQCLSA-N	1	0	355.442	1.616	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)cc1F	ZINC001084777826	917053136	/nfs/dbraw/zinc/05/31/36/917053136.db2.gz	QZISZUMLGFZLPD-IEBWSBKVSA-N	1	0	368.456	1.826	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCOC3)C[C@H]21	ZINC001084783222	917117012	/nfs/dbraw/zinc/11/70/12/917117012.db2.gz	GTAFYZKKLPRAKP-JFIYKMOQSA-N	1	0	355.438	1.276	20	30		FDEDRO
C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(Cc4cc(F)ccc4C#N)C[C@H]32)C1	ZINC001084830278	917507139	/nfs/dbraw/zinc/50/71/39/917507139.db2.gz	QFUPUYZDIWGBNJ-GPMSIDNRSA-N	1	0	356.445	1.682	20	30		FDEDRO
Cn1cc(CC(=O)N2CC[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)[C@H]3C2)cn1	ZINC001084900537	918122983	/nfs/dbraw/zinc/12/29/83/918122983.db2.gz	GWLWCHPNVORTTP-UXHICEINSA-N	1	0	363.465	1.957	20	30		FDEDRO
C[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1)n1cncn1	ZINC001084924855	918349709	/nfs/dbraw/zinc/34/97/09/918349709.db2.gz	WIOOMCANHFXJJH-SXLOBPIMSA-N	1	0	363.465	1.814	20	30		FDEDRO
C[C@H](C(=O)N1CC[C@H]2CC[N@H+](Cc3ccc(C#N)s3)[C@H]2C1)n1cncn1	ZINC001084924872	918350557	/nfs/dbraw/zinc/35/05/57/918350557.db2.gz	XIZNANPPQCQCFG-CPUCHLNUSA-N	1	0	370.482	1.895	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](C[C@H]4CCc5ncnn54)[C@H]3C2)[nH]1	ZINC001084921868	918364753	/nfs/dbraw/zinc/36/47/53/918364753.db2.gz	ZKFNJAKUCAXBBJ-UNEWFSDZSA-N	1	0	365.441	1.202	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)CCn4ccnn4)C[C@@H]32)c1	ZINC001084928989	918381501	/nfs/dbraw/zinc/38/15/01/918381501.db2.gz	ZDBZEOSLKYMXAL-MOPGFXCFSA-N	1	0	364.453	1.663	20	30		FDEDRO
Cn1nccc1CC(=O)N1CC[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@H]2C1	ZINC001084929766	918445463	/nfs/dbraw/zinc/44/54/63/918445463.db2.gz	OBXSXFDMBJNKMG-QUCCMNQESA-N	1	0	363.465	1.957	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4COC(=O)N4)C[C@@H]32)c1	ZINC001084931757	918475180	/nfs/dbraw/zinc/47/51/80/918475180.db2.gz	ONIAADQTUVZQEZ-IKGGRYGDSA-N	1	0	354.410	1.089	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)C[C@@H]21	ZINC001084939080	918599386	/nfs/dbraw/zinc/59/93/86/918599386.db2.gz	RGVAKTWHULQIQK-INMHGKMJSA-N	1	0	357.458	1.262	20	30		FDEDRO
C[NH+](C)CCCNC(=S)NN=Cc1ccc(N2CCOCC2)s1	ZINC000731929327	918851012	/nfs/dbraw/zinc/85/10/12/918851012.db2.gz	VLFUMUSXOKKPDA-UHFFFAOYSA-N	1	0	355.533	1.334	20	30		FDEDRO
COc1cc(C)cc2c1OCCC2=NNC(=S)NCCC[NH+](C)C	ZINC000731928937	918852023	/nfs/dbraw/zinc/85/20/23/918852023.db2.gz	RFFJAHNICQGFKA-UHFFFAOYSA-N	1	0	350.488	1.906	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cc(C)no3)[C@H]2C1	ZINC001084961185	918908011	/nfs/dbraw/zinc/90/80/11/918908011.db2.gz	QONPNYAGDRUHET-NEWSRXKRSA-N	1	0	356.470	1.503	20	30		FDEDRO
N#CCOc1ccc(CC(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1	ZINC000732068135	918984658	/nfs/dbraw/zinc/98/46/58/918984658.db2.gz	LJCWVKDNTGBJDV-GOSISDBHSA-N	1	0	370.453	1.072	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC2(O)CCN(C(=O)[C@@H]3C[C@H]3CCC)CC2)C1=O	ZINC000946927866	919326407	/nfs/dbraw/zinc/32/64/07/919326407.db2.gz	OLPFRQGCXAGLEB-ZACQAIPSSA-N	1	0	363.502	1.153	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)C[C@@H]21	ZINC001084997521	919438050	/nfs/dbraw/zinc/43/80/50/919438050.db2.gz	FYXJALAMYWWXHK-PBHICJAKSA-N	1	0	355.442	1.444	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)C[C@@H]21	ZINC001085000903	919451920	/nfs/dbraw/zinc/45/19/20/919451920.db2.gz	DTBXMZWTTWTRFT-ZBFHGGJFSA-N	1	0	360.458	1.628	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CCNC4=O)C[C@@H]32)cc1	ZINC001085005359	919505357	/nfs/dbraw/zinc/50/53/57/919505357.db2.gz	RPNLEVJCUHFCJG-KURKYZTESA-N	1	0	352.438	1.117	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)[C@H]2C1	ZINC001085004881	919549824	/nfs/dbraw/zinc/54/98/24/919549824.db2.gz	QZDAINZFYOPYQV-BBWFWOEESA-N	1	0	368.543	1.946	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccnc4c3nnn4C)C[C@@H]21	ZINC001085018107	919702931	/nfs/dbraw/zinc/70/29/31/919702931.db2.gz	YDLUGYGTGZTZPJ-ZBFHGGJFSA-N	1	0	354.458	1.866	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C[C@@H]21	ZINC001085031831	919888940	/nfs/dbraw/zinc/88/89/40/919888940.db2.gz	YDTZEXCVMGUUTE-VSZNYVQBSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCN3CCCC3=O)[C@H]2C1	ZINC001085038110	919967286	/nfs/dbraw/zinc/96/72/86/919967286.db2.gz	WOHUSSSQPMFHED-BDXSIMOUSA-N	1	0	361.486	1.123	20	30		FDEDRO
C[NH+](C)CCOC1CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CC1	ZINC000732705807	919999353	/nfs/dbraw/zinc/99/93/53/919999353.db2.gz	IQMGFBZQVUJNTG-UHFFFAOYSA-N	1	0	374.441	1.097	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cc(C)[nH]c4C)C[C@@H]32)C1=O	ZINC001085044507	920007865	/nfs/dbraw/zinc/00/78/65/920007865.db2.gz	YGMIOMQQDOBJSR-WDSOQIARSA-N	1	0	370.497	1.955	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3CC[N@H+](Cc4ccccn4)[C@H]3C2)nn1	ZINC001085051813	920098136	/nfs/dbraw/zinc/09/81/36/920098136.db2.gz	KHZUNWIYHNVSSS-QAPCUYQASA-N	1	0	352.442	1.596	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CC[C@H]3CC[N@H+](C[C@@H]4CCOC4)[C@H]3C2)nn1	ZINC001085053448	920126061	/nfs/dbraw/zinc/12/60/61/920126061.db2.gz	VXBCPZCYCWYPRI-JZXOWHBKSA-N	1	0	359.474	1.427	20	30		FDEDRO
C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000732815096	920167258	/nfs/dbraw/zinc/16/72/58/920167258.db2.gz	VQIVKIUOEPSKIW-AWEZNQCLSA-N	1	0	368.359	1.982	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CCn3cccn3)[C@H]2C1	ZINC001085054846	920170875	/nfs/dbraw/zinc/17/08/75/920170875.db2.gz	YAJZRRJRLXGNKP-XWSJACJDSA-N	1	0	358.486	1.787	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn(C4CCOCC4)nn3)C[C@@H]21	ZINC001085070416	920400380	/nfs/dbraw/zinc/40/03/80/920400380.db2.gz	DHRNXSVQISRWON-QAPCUYQASA-N	1	0	357.458	1.189	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccn4c(=O)[nH]nc34)C[C@@H]21	ZINC001085074297	920526567	/nfs/dbraw/zinc/52/65/67/920526567.db2.gz	VMZHXMZDARRDSX-ZBFHGGJFSA-N	1	0	355.442	1.938	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc4c(c3)OCCO4)C[C@@H]21	ZINC001085087949	920752314	/nfs/dbraw/zinc/75/23/14/920752314.db2.gz	JRPQKQBVWOBSCR-MSOLQXFVSA-N	1	0	354.450	1.946	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4c[nH]cc4C)C[C@@H]32)C1=O	ZINC001085092351	920797496	/nfs/dbraw/zinc/79/74/96/920797496.db2.gz	PJNRLRDTYVONOQ-JQHSSLGASA-N	1	0	356.470	1.646	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2nccnc2N)cc1F	ZINC001085154607	921844320	/nfs/dbraw/zinc/84/43/20/921844320.db2.gz	BYHZYYYCOOSIOE-HZPDHXFCSA-N	1	0	368.416	1.900	20	30		FDEDRO
Cc1c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(F)c(C#N)c2)nnn1C	ZINC001085157936	921864581	/nfs/dbraw/zinc/86/45/81/921864581.db2.gz	CPULKBABTCBKCC-IAGOWNOFSA-N	1	0	370.432	1.965	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCN(C3CCC3)C2=O)c1	ZINC001085162260	921904920	/nfs/dbraw/zinc/90/49/20/921904920.db2.gz	JDBGIOKKJVQRAH-ZACQAIPSSA-N	1	0	369.469	1.670	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc3n2CCCC3)c1	ZINC001085164163	921912744	/nfs/dbraw/zinc/91/27/44/921912744.db2.gz	SDMWIWBZZSKZAV-HUUCEWRRSA-N	1	0	367.457	1.645	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCNC(=O)C2)s1	ZINC001085167705	921934804	/nfs/dbraw/zinc/93/48/04/921934804.db2.gz	IQDFEAOKTQAXAQ-DAXOMENPSA-N	1	0	360.483	1.663	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CN=NC1=O	ZINC001085176345	922006676	/nfs/dbraw/zinc/00/66/76/922006676.db2.gz	APULKSLXSPACIG-HZPDHXFCSA-N	1	0	354.414	1.073	20	30		FDEDRO
Cn1oc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)cc1=O	ZINC001085183398	922053317	/nfs/dbraw/zinc/05/33/17/922053317.db2.gz	YVPNSNXTWDTXMM-HZPDHXFCSA-N	1	0	354.410	1.681	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CCN(c3ncc(C#N)cc3F)C2)CC[N@@H+]1C	ZINC001065346397	922245064	/nfs/dbraw/zinc/24/50/64/922245064.db2.gz	UOKNDSVTXWRHTK-GMBSWORKSA-N	1	0	359.449	1.908	20	30		FDEDRO
CC[N@H+](C)Cc1cccc(CNC(=O)CCNC(=O)C2N=CC=CC2=O)c1	ZINC000733890859	922312934	/nfs/dbraw/zinc/31/29/34/922312934.db2.gz	IONAAVCPUWKUQP-VXPUYCOJSA-N	1	0	370.453	1.671	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@](C)(CNc3ccc(C#N)nn3)C2)CC[N@@H+]1C	ZINC001065503727	922334956	/nfs/dbraw/zinc/33/49/56/922334956.db2.gz	HKNQMKABVDFROM-FRQCXROJSA-N	1	0	356.474	1.729	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@](C)(CNc3nccnc3C#N)C2)CC[N@@H+]1C	ZINC001065504646	922336141	/nfs/dbraw/zinc/33/61/41/922336141.db2.gz	WZDXAXQUAXTAEG-GMBSWORKSA-N	1	0	356.474	1.729	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NC(=O)CSCC#N)CC2)CC[N@@H+]1C	ZINC001065876597	922486017	/nfs/dbraw/zinc/48/60/17/922486017.db2.gz	FMSCNUIWEPDDFE-OWCLPIDISA-N	1	0	366.531	1.471	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1	ZINC001085197844	922520441	/nfs/dbraw/zinc/52/04/41/922520441.db2.gz	NYDLHASHVNSMQS-BPLDGKMQSA-N	1	0	365.865	1.532	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)C[NH2+]C2(C(=O)NC)CCCC2)cc1	ZINC000733999800	922820352	/nfs/dbraw/zinc/82/03/52/922820352.db2.gz	NKQPTOANXADEGG-UHFFFAOYSA-N	1	0	372.469	1.980	20	30		FDEDRO
CON=C(C(=O)N1CCCC[C@H]1[C@@H](C)C[NH+](C)C)c1csc(N)n1	ZINC000824495492	923041865	/nfs/dbraw/zinc/04/18/65/923041865.db2.gz	HRUVNOFBIPZVRJ-AAEUAGOBSA-N	1	0	353.492	1.655	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)nc1	ZINC000734268361	923137004	/nfs/dbraw/zinc/13/70/04/923137004.db2.gz	NPQATCXVSFKZQG-QGZVFWFLSA-N	1	0	372.473	1.308	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCNC(=O)CC2)c1	ZINC001085286138	923527575	/nfs/dbraw/zinc/52/75/75/923527575.db2.gz	UQOGWLQJAHNJTB-IPMKNSEASA-N	1	0	368.481	1.992	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCN(CC)C2=O)cc1	ZINC001085293621	923610342	/nfs/dbraw/zinc/61/03/42/923610342.db2.gz	RJLRZOSPFOWNIB-GUDVDZBRSA-N	1	0	353.466	1.919	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c(C)cnn2C)C1=O	ZINC001085301629	923671913	/nfs/dbraw/zinc/67/19/13/923671913.db2.gz	CCRMKLSNCWPQSY-BZUAXINKSA-N	1	0	359.474	1.146	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2csc(C)n2)C1=O	ZINC001085308661	923734213	/nfs/dbraw/zinc/73/42/13/923734213.db2.gz	BYAPFZBGYNQWSL-RBSFLKMASA-N	1	0	362.499	1.869	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)C1	ZINC001085335181	923947298	/nfs/dbraw/zinc/94/72/98/923947298.db2.gz	FSGRRUKGVOCSPK-WTLGNFPFSA-N	1	0	368.481	1.977	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2conc2CC)nn1	ZINC001085357482	924186898	/nfs/dbraw/zinc/18/68/98/924186898.db2.gz	YMOQFNQFQCGEDZ-HZPDHXFCSA-N	1	0	358.446	1.845	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[C@@H]2CCC(=O)N2)c1	ZINC001085360799	924225768	/nfs/dbraw/zinc/22/57/68/924225768.db2.gz	BIKPEIFHBWDUOG-RCCFBDPRSA-N	1	0	354.454	1.744	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c(C)n[nH]c2C)C1=O	ZINC001085365994	924279544	/nfs/dbraw/zinc/27/95/44/924279544.db2.gz	ZLVUJKVBFQURPV-BZUAXINKSA-N	1	0	359.474	1.444	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nncn1C	ZINC001085389122	924403104	/nfs/dbraw/zinc/40/31/04/924403104.db2.gz	SNPCARYKQQNFAN-HUUCEWRRSA-N	1	0	370.457	1.606	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cn(CC)nn2)nc1	ZINC001085398657	924448408	/nfs/dbraw/zinc/44/84/08/924448408.db2.gz	RKZPHQCLNHKUBF-IAGOWNOFSA-N	1	0	352.442	1.505	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnnn1C	ZINC001085406502	924493109	/nfs/dbraw/zinc/49/31/09/924493109.db2.gz	IKVOCNFJTQTAMW-RTBURBONSA-N	1	0	351.454	1.556	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NCc2nnc(C)o2)CC1	ZINC001085432585	924678869	/nfs/dbraw/zinc/67/88/69/924678869.db2.gz	FVPCSFBYELOBTR-IAGOWNOFSA-N	1	0	359.474	1.240	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1	ZINC000735939257	924686534	/nfs/dbraw/zinc/68/65/34/924686534.db2.gz	BDNPYCAKCJZRGL-UHFFFAOYSA-N	1	0	371.481	1.599	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)Nc2cc(OC)ccc2OC)CC1	ZINC000735939252	924686999	/nfs/dbraw/zinc/68/69/99/924686999.db2.gz	BBTWFHFDALNLMO-AWEZNQCLSA-N	1	0	374.437	1.919	20	30		FDEDRO
C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1)N1CCOCC1	ZINC001085443148	924763697	/nfs/dbraw/zinc/76/36/97/924763697.db2.gz	YFGFNJFAFXYHAG-PWIZWCRZSA-N	1	0	370.497	1.796	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)COc2cccnc2)[C@@H](n2ccnn2)C1	ZINC001129320903	925034758	/nfs/dbraw/zinc/03/47/58/925034758.db2.gz	DJBDNUKHNDPXCB-JQHSSLGASA-N	1	0	370.457	1.448	20	30		FDEDRO
C=CC1(CC(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2n2ccnn2)CCCCC1	ZINC001129322817	925288617	/nfs/dbraw/zinc/28/86/17/925288617.db2.gz	YVEWUVYSEDFIGT-BBWFWOEESA-N	1	0	361.490	1.527	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](Cn2c(C)nnc2-c2cccc(C#N)c2)CC1	ZINC000739847878	925308243	/nfs/dbraw/zinc/30/82/43/925308243.db2.gz	XICXFUMPUXIOLQ-UHFFFAOYSA-N	1	0	362.437	1.544	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN([C@@H](C(=O)OC)c2ccc(C#N)cc2)CC1	ZINC000739915119	925323118	/nfs/dbraw/zinc/32/31/18/925323118.db2.gz	NOCZYPLYGNAEFR-LJQANCHMSA-N	1	0	372.469	1.258	20	30		FDEDRO
CC(C)C[N@H+](CCC#N)CCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000740878632	925481770	/nfs/dbraw/zinc/48/17/70/925481770.db2.gz	QDGWENKPHZLDMG-UHFFFAOYSA-N	1	0	352.460	1.534	20	30		FDEDRO
C=C(C)CNC(=S)C(C(=O)c1cnn(C)c1)[n+]1ccc(N(C)C)cc1	ZINC000741240921	925647958	/nfs/dbraw/zinc/64/79/58/925647958.db2.gz	NBZXFCRXSREFLW-UHFFFAOYSA-O	1	0	358.491	1.630	20	30		FDEDRO
C#CCN1CCO[C@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1	ZINC001108231600	925712998	/nfs/dbraw/zinc/71/29/98/925712998.db2.gz	YEXKKCYCJMXYRH-SVFBPWRDSA-N	1	0	355.482	1.172	20	30		FDEDRO
CC[N@@H+]1CCC(=NNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1	ZINC000741451652	925779482	/nfs/dbraw/zinc/77/94/82/925779482.db2.gz	LPTUKYQKKSUNTJ-LBPRGKRZSA-N	1	0	354.432	1.899	20	30		FDEDRO
CC[N@@H+]1CCC(=NNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1	ZINC000741451651	925779620	/nfs/dbraw/zinc/77/96/20/925779620.db2.gz	LPTUKYQKKSUNTJ-GFCCVEGCSA-N	1	0	354.432	1.899	20	30		FDEDRO
CON=Cc1ccc(C(=O)OCC(=O)NC2CC[NH+](C(C)C)CC2)cc1	ZINC000741820754	925874979	/nfs/dbraw/zinc/87/49/79/925874979.db2.gz	MGYUJXUZGKGOMJ-UHFFFAOYSA-N	1	0	361.442	1.813	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)c1	ZINC001086199965	926269504	/nfs/dbraw/zinc/26/95/04/926269504.db2.gz	BAUYTGMDTQEFMM-BDXSIMOUSA-N	1	0	354.454	1.444	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2c(C)nn(C)c2Cl)C1	ZINC001086201824	926284547	/nfs/dbraw/zinc/28/45/47/926284547.db2.gz	TYEFFUVYEBYRFP-CTASWTNQSA-N	1	0	366.893	1.957	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1	ZINC001086223433	926352776	/nfs/dbraw/zinc/35/27/76/926352776.db2.gz	PXHRNXGPNJHHCV-GJGATLCTSA-N	1	0	363.502	1.368	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CCc2c(C)nc3ccnn3c2C)CC1	ZINC000743489871	926377767	/nfs/dbraw/zinc/37/77/67/926377767.db2.gz	LDUWAQDQDZJRID-UHFFFAOYSA-N	1	0	353.470	1.883	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2nn(CC)c3ccccc3c2=O)CC1	ZINC000743491651	926378578	/nfs/dbraw/zinc/37/85/78/926378578.db2.gz	JVQBDAQBKHVVTC-UHFFFAOYSA-N	1	0	352.438	1.634	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)CC1	ZINC000743492069	926379195	/nfs/dbraw/zinc/37/91/95/926379195.db2.gz	OZQWJGRXBLVEAZ-QGZVFWFLSA-N	1	0	362.518	1.668	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC1	ZINC000743843793	926478437	/nfs/dbraw/zinc/47/84/37/926478437.db2.gz	VNENAYFOLPGCKN-UHFFFAOYSA-N	1	0	361.398	1.444	20	30		FDEDRO
COC(=O)CC[N@H+](CC(=O)NCc1cccc(C#N)c1)C1CCOCC1	ZINC000743871867	926483428	/nfs/dbraw/zinc/48/34/28/926483428.db2.gz	YRQNHIGHHQEXBN-UHFFFAOYSA-N	1	0	359.426	1.219	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)c2nnc(CC)[nH]2)C1	ZINC001086369632	926866865	/nfs/dbraw/zinc/86/68/65/926866865.db2.gz	RYZVSWONQDDSCY-GVRJEKJASA-N	1	0	361.490	1.894	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C1	ZINC001086479024	927503945	/nfs/dbraw/zinc/50/39/45/927503945.db2.gz	LJPZNHIPPYROKC-GVAFMPQTSA-N	1	0	360.483	1.328	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N2CCCC[C@@H]2C)C1	ZINC001086480942	927517296	/nfs/dbraw/zinc/51/72/96/927517296.db2.gz	GUHASBXNEMHVSE-TXTZMMAHSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2nnc(C3CC3)n2C)C1	ZINC001086481061	927517581	/nfs/dbraw/zinc/51/75/81/927517581.db2.gz	LSRQUDHPAZYSDR-MIGQKNRLSA-N	1	0	359.474	1.268	20	30		FDEDRO
C[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1	ZINC001086481549	927521905	/nfs/dbraw/zinc/52/19/05/927521905.db2.gz	LZJDPTRFWBHZTP-MYZZLAAOSA-N	1	0	357.454	1.998	20	30		FDEDRO
CC(C)CN(C(=O)CCNC(=O)C1N=CC=CC1=O)C1CC[NH+](C)CC1	ZINC000746021629	927544709	/nfs/dbraw/zinc/54/47/09/927544709.db2.gz	NDGADMJKQDRVOX-HNENSFHCSA-N	1	0	362.474	1.482	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cncc(OC)n2)C1	ZINC001086503882	927710929	/nfs/dbraw/zinc/71/09/29/927710929.db2.gz	RWRIMWRMNAOONC-DNUAJFIVSA-N	1	0	360.458	1.451	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2nnc(C3CC3)[nH]2)C1	ZINC001086504011	927710989	/nfs/dbraw/zinc/71/09/89/927710989.db2.gz	YWHBWYFNRDSGMX-QEWYBTABSA-N	1	0	359.474	1.648	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2nn(CC)nc2C)C1	ZINC001086503979	927711292	/nfs/dbraw/zinc/71/12/92/927711292.db2.gz	WSBGHMYACWAUDM-OVWQWFNUSA-N	1	0	361.490	1.572	20	30		FDEDRO
N#CCn1cc(NC(=O)C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cn1	ZINC000746372689	927921979	/nfs/dbraw/zinc/92/19/79/927921979.db2.gz	RWRYTVNBUHIAAE-UHFFFAOYSA-N	1	0	372.473	1.460	20	30		FDEDRO
CCOC(=O)c1cc(C#N)c(C)nc1NC1(C(=O)OCC)CC[NH+](C)CC1	ZINC001169492050	928707473	/nfs/dbraw/zinc/70/74/73/928707473.db2.gz	VSZUQYKNBFGTCF-UHFFFAOYSA-N	1	0	374.441	1.878	20	30		FDEDRO
COc1ccc(C(=NO)Nc2cccc3nc([C@H]4C[NH2+]CCO4)cn32)nc1	ZINC001169604839	928779804	/nfs/dbraw/zinc/77/98/04/928779804.db2.gz	DKQAWIIPVCOXMA-OAHLLOKOSA-N	1	0	368.397	1.647	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CCC(=O)Nc2ccccc2OCC)CC1	ZINC000766867177	928944861	/nfs/dbraw/zinc/94/48/61/928944861.db2.gz	OGNDCGVTLGFMSS-UHFFFAOYSA-N	1	0	357.454	1.875	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]([C@H](O)c3nccn3C)C2)CC1	ZINC000770022063	929803117	/nfs/dbraw/zinc/80/31/17/929803117.db2.gz	ZRIUKHHULSNCLD-RDJZCZTQSA-N	1	0	361.490	1.526	20	30		FDEDRO
C[C@H](CC(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OCC#N)cc1	ZINC001109597315	929908322	/nfs/dbraw/zinc/90/83/22/929908322.db2.gz	HSSGRWYXOIWYJH-WCZJQEMASA-N	1	0	370.453	1.322	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3ccccn3)c1)C2	ZINC001109776359	930394466	/nfs/dbraw/zinc/39/44/66/930394466.db2.gz	KKPRPUORLVMFFL-SQNIBIBYSA-N	1	0	367.453	1.805	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COC[C@@H]2CCOC2)C3)c1	ZINC001109788357	930423992	/nfs/dbraw/zinc/42/39/92/930423992.db2.gz	FBJKZSAUYSBEQU-ZRNYENFQSA-N	1	0	369.465	1.833	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CCOCC)c1)C2	ZINC001109891618	930695232	/nfs/dbraw/zinc/69/52/32/930695232.db2.gz	QISQVXMRFFDWCJ-SQNIBIBYSA-N	1	0	362.474	1.457	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCC(=O)NC1=O)C2	ZINC001109934015	930800211	/nfs/dbraw/zinc/80/02/11/930800211.db2.gz	KEYXLSDZGSHTGE-PMPSAXMXSA-N	1	0	364.490	1.620	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1nc(C)nc1C)C2	ZINC001109961306	930890573	/nfs/dbraw/zinc/89/05/73/930890573.db2.gz	XYKDTHCUTJYUAT-SQNIBIBYSA-N	1	0	361.490	1.599	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)NC(=O)CC(C)(C)C)C2	ZINC001109967757	930930104	/nfs/dbraw/zinc/93/01/04/930930104.db2.gz	LPKSNGIAIGCKLB-YVSFHVDLSA-N	1	0	365.518	1.851	20	30		FDEDRO
CCc1nc(C#N)cc(NC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C2CC2)n1	ZINC001110002074	931041464	/nfs/dbraw/zinc/04/14/64/931041464.db2.gz	UEDGGJAYCSJAJS-YESZJQIVSA-N	1	0	370.501	1.948	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000772110295	931080206	/nfs/dbraw/zinc/08/02/06/931080206.db2.gz	PPPBRTVIUDJKQZ-SFHVURJKSA-N	1	0	351.406	1.552	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000772112831	931080831	/nfs/dbraw/zinc/08/08/31/931080831.db2.gz	GKCSEGYGDANICV-IBGZPJMESA-N	1	0	365.433	1.942	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)NCCc2ccccc2OC)CC1	ZINC000772116491	931082826	/nfs/dbraw/zinc/08/28/26/931082826.db2.gz	QWTKIMBQIXQHQY-UHFFFAOYSA-N	1	0	358.438	1.242	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)CC1	ZINC000772119195	931086173	/nfs/dbraw/zinc/08/61/73/931086173.db2.gz	FMFCGZQVVSIXQH-MAUKXSAKSA-N	1	0	370.449	1.903	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)Nc2cccc(NC(C)=O)c2)CC1	ZINC000772118972	931086228	/nfs/dbraw/zinc/08/62/28/931086228.db2.gz	AALPBGOLPWPTHF-CQSZACIVSA-N	1	0	371.437	1.860	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)CNC(C)=O)C2	ZINC001112543958	931414920	/nfs/dbraw/zinc/41/49/20/931414920.db2.gz	GJBGJUUSKSCWEA-PXNSSMCTSA-N	1	0	363.502	1.017	20	30		FDEDRO
CCOC(=O)C(C)N=Nc1cc(NC[C@H]2COCC[NH2+]2)ccc1[N+](=O)[O-]	ZINC001170047587	931450320	/nfs/dbraw/zinc/45/03/20/931450320.db2.gz	OTIFAMYZJONGRO-JFENUBAZSA-N	1	0	365.390	1.346	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1nccs1)C2	ZINC001112550841	931461472	/nfs/dbraw/zinc/46/14/72/931461472.db2.gz	RRBWTRLXIIESQM-DEYYWGMASA-N	1	0	360.483	1.113	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1C(=O)NC(=O)C1(C)C)C2	ZINC001112557147	931544347	/nfs/dbraw/zinc/54/43/47/931544347.db2.gz	QHSYGDIFGKLPBF-LIRRHRJNSA-N	1	0	362.474	1.111	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn([C@H]3CCOC3)nn1)C2	ZINC001112558720	931579823	/nfs/dbraw/zinc/57/98/23/931579823.db2.gz	USXGMKGBDSRQJP-BXWFABGCSA-N	1	0	357.458	1.095	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)c1cscn1)C2	ZINC001112559434	931583966	/nfs/dbraw/zinc/58/39/66/931583966.db2.gz	XDFGTBJHBUBWGB-KSSFIOAISA-N	1	0	360.483	1.115	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCC(=O)N(C)C)C2	ZINC001112564981	931610885	/nfs/dbraw/zinc/61/08/85/931610885.db2.gz	DFIBUJDZRXMQTD-PXNSSMCTSA-N	1	0	365.518	1.666	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#CC)C1	ZINC001112565277	931611359	/nfs/dbraw/zinc/61/13/59/931611359.db2.gz	SMCWTVFFNJUAHZ-UWJYYQICSA-N	1	0	351.450	1.949	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC=C)C2)cn1	ZINC001112566138	931617488	/nfs/dbraw/zinc/61/74/88/931617488.db2.gz	MMIRQCWWQFDDOZ-UWJYYQICSA-N	1	0	366.465	1.197	20	30		FDEDRO
Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)cc1	ZINC001112568778	931632673	/nfs/dbraw/zinc/63/26/73/931632673.db2.gz	LOGXCDQIAZSYAR-PXNSSMCTSA-N	1	0	354.454	1.467	20	30		FDEDRO
Cc1ccccc1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1	ZINC001112575774	931706583	/nfs/dbraw/zinc/70/65/83/931706583.db2.gz	BVFKGAXBNGLXGY-RXVVDRJESA-N	1	0	368.481	1.396	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1ccccc1=O)C2	ZINC001112576439	931713682	/nfs/dbraw/zinc/71/36/82/931713682.db2.gz	NQEYZANRAUWWFU-PXNSSMCTSA-N	1	0	359.470	1.269	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccn1C(C)C)C2	ZINC001112579996	931718279	/nfs/dbraw/zinc/71/82/79/931718279.db2.gz	RVQRMEXDPUMSER-UWJYYQICSA-N	1	0	370.497	1.650	20	30		FDEDRO
CC[C@H](C)C(=O)NCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#CCOC)C1	ZINC001112580425	931726624	/nfs/dbraw/zinc/72/66/24/931726624.db2.gz	MZESOOXNDXYMLG-ZWOKBUDYSA-N	1	0	363.502	1.017	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn(C)c(=O)[nH]c1=O)C2	ZINC001112577865	931730812	/nfs/dbraw/zinc/73/08/12/931730812.db2.gz	IZKXJWFFHZPPKY-LIRRHRJNSA-N	1	0	360.458	1.284	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1nc(C3CC3)nn1C)C2	ZINC001112582666	931750683	/nfs/dbraw/zinc/75/06/83/931750683.db2.gz	IZXKDYUBXFWJLA-JXFKEZNVSA-N	1	0	355.486	1.477	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C1CC1)N1CCOCC1)C2	ZINC001112582945	931751352	/nfs/dbraw/zinc/75/13/52/931751352.db2.gz	WTYDLQAOMZRSQV-ZJOUEHCJSA-N	1	0	361.530	1.892	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CS(=O)(=O)CCCC)C2	ZINC001112586810	931778103	/nfs/dbraw/zinc/77/81/03/931778103.db2.gz	QOCSRJJLFWIPLZ-WMZOPIPTSA-N	1	0	356.532	1.996	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COc1cccc(C(N)=O)c1)C2	ZINC001112585079	931787607	/nfs/dbraw/zinc/78/76/07/931787607.db2.gz	YPAHZGAKUKIGFS-JXFKEZNVSA-N	1	0	357.454	1.569	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)CS(C)(=O)=O)C2	ZINC001112588858	931798243	/nfs/dbraw/zinc/79/82/43/931798243.db2.gz	ZFBMNERAVVTMOB-YJBOKZPZSA-N	1	0	356.532	1.852	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nc(CC)no2)C1	ZINC001112589102	931801982	/nfs/dbraw/zinc/80/19/82/931801982.db2.gz	LKRZAIPKSAFVSH-KXBFYZLASA-N	1	0	362.474	1.943	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(CCC(=O)OC)c2)CC1	ZINC000786344544	931877943	/nfs/dbraw/zinc/87/79/43/931877943.db2.gz	QRLIPJSDGSUQTE-UHFFFAOYSA-N	1	0	373.453	1.497	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCCCCC1)[C@H]1CCCO1	ZINC000786629606	931979314	/nfs/dbraw/zinc/97/93/14/931979314.db2.gz	SQIJJSJEZYQXPL-RCCFBDPRSA-N	1	0	363.502	1.300	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)COC(=O)CC[N@@H+]1CCc2ccccc2C1	ZINC000786821742	932054089	/nfs/dbraw/zinc/05/40/89/932054089.db2.gz	PWHYLSYPEJSBIZ-UHFFFAOYSA-N	1	0	368.437	1.634	20	30		FDEDRO
C[C@@H](OC(=O)c1c[nH]c(C#N)c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000786906138	932085617	/nfs/dbraw/zinc/08/56/17/932085617.db2.gz	CZOWEBORENTGGZ-RHSMWYFYSA-N	1	0	366.421	1.822	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1	ZINC000787618844	932339535	/nfs/dbraw/zinc/33/95/35/932339535.db2.gz	ZKOLEVWNCCECRV-AWEZNQCLSA-N	1	0	374.323	1.884	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1	ZINC000787710007	932379850	/nfs/dbraw/zinc/37/98/50/932379850.db2.gz	ZJLQXQMORWEBGP-VXGBXAGGSA-N	1	0	360.296	1.495	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)cc1	ZINC000788474341	932709403	/nfs/dbraw/zinc/70/94/03/932709403.db2.gz	YDQOLAWOWSENIZ-WMZOPIPTSA-N	1	0	356.426	1.467	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)n1	ZINC000788867124	932842920	/nfs/dbraw/zinc/84/29/20/932842920.db2.gz	SOPJTZXRSGTCDE-KRWDZBQOSA-N	1	0	361.490	1.406	20	30		FDEDRO
C#CCSCCNC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C	ZINC000789524014	933073534	/nfs/dbraw/zinc/07/35/34/933073534.db2.gz	DHTXJQUQMHRDST-HNNXBMFYSA-N	1	0	361.467	1.493	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCO1	ZINC000789662344	933135708	/nfs/dbraw/zinc/13/57/08/933135708.db2.gz	UKMPJRCYPHTZIV-QYZOEREBSA-N	1	0	369.465	1.064	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)CC1	ZINC000789780916	933188949	/nfs/dbraw/zinc/18/89/49/933188949.db2.gz	KMERUKWZSBYBAE-INIZCTEOSA-N	1	0	361.486	1.847	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)C1	ZINC001086591047	933720924	/nfs/dbraw/zinc/72/09/24/933720924.db2.gz	QQXPPQRFVVRCNH-BHYGNILZSA-N	1	0	355.438	1.294	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1	ZINC001086593454	933835673	/nfs/dbraw/zinc/83/56/73/933835673.db2.gz	XQOMFIFODKSCBD-FUHWJXTLSA-N	1	0	350.422	1.001	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1	ZINC001086597861	933980231	/nfs/dbraw/zinc/98/02/31/933980231.db2.gz	CRZFDTWGJXZFIU-CEXWTWQISA-N	1	0	370.497	1.937	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1	ZINC001086598072	933981646	/nfs/dbraw/zinc/98/16/46/933981646.db2.gz	NXIKZYIRBKKFIO-CEXWTWQISA-N	1	0	368.481	1.385	20	30		FDEDRO
N#C[C@@H](c1cccc(Cl)c1)N1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1	ZINC000791621476	934068786	/nfs/dbraw/zinc/06/87/86/934068786.db2.gz	VLIYQZGJMMFMJZ-OALUTQOASA-N	1	0	362.905	1.979	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@H]1c1ccccc1	ZINC001114954145	934296982	/nfs/dbraw/zinc/29/69/82/934296982.db2.gz	KUVKUHCRKVMHHQ-SLHNCBLASA-N	1	0	354.450	1.460	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC2(CNc3ccnc(C#N)n3)CCCCC2)CC[N@@H+]1C	ZINC001114186848	938325665	/nfs/dbraw/zinc/32/56/65/938325665.db2.gz	WFJONUBKLUBRMO-HUUCEWRRSA-N	1	0	356.474	1.341	20	30		FDEDRO
C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn([C@H]3CCOC3)nn2)C1	ZINC001086619022	938344849	/nfs/dbraw/zinc/34/48/49/938344849.db2.gz	VXIOPRJYQHKBGG-OKZBNKHCSA-N	1	0	367.453	1.623	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2nc(C)ccc2=O)C1	ZINC001086620829	938365034	/nfs/dbraw/zinc/36/50/34/938365034.db2.gz	OBZSQBRYPCBHKR-ZWKOTPCHSA-N	1	0	352.438	1.322	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCC(F)(F)F)C[C@H]21	ZINC001114299993	938396259	/nfs/dbraw/zinc/39/62/59/938396259.db2.gz	ZLAVKORJXUMLFE-MRLBHPIUSA-N	1	0	362.392	1.593	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC(=O)N2C)C1	ZINC001086622351	938398964	/nfs/dbraw/zinc/39/89/64/938398964.db2.gz	SITIIORJOOYJHP-IPMKNSEASA-N	1	0	353.466	1.605	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CC[C@H]2CC(C)(C)CO2)[C@@H](n2ccnn2)C1	ZINC001129407975	938405525	/nfs/dbraw/zinc/40/55/25/938405525.db2.gz	ZBUZNZFOEQISFP-BBWFWOEESA-N	1	0	359.474	1.238	20	30		FDEDRO
COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129449811	938420370	/nfs/dbraw/zinc/42/03/70/938420370.db2.gz	ZRRYZLMHAQSMHW-UHOSZYNNSA-N	1	0	367.453	1.096	20	30		FDEDRO
C=C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1)c1ccccc1	ZINC001129454166	938421835	/nfs/dbraw/zinc/42/18/35/938421835.db2.gz	YOBNNBVVQONLKS-UHOSZYNNSA-N	1	0	369.469	1.362	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2ccnc(C)n2)[C@@H](n2ccnn2)C1	ZINC001129438054	938425172	/nfs/dbraw/zinc/42/51/72/938425172.db2.gz	MNSLAGDUCPQTQI-MSOLQXFVSA-N	1	0	369.473	1.778	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)COc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129438025	938425363	/nfs/dbraw/zinc/42/53/63/938425363.db2.gz	LOJCBVJLLKUTCL-UHOSZYNNSA-N	1	0	369.469	1.911	20	30		FDEDRO
C#C[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccc(Cl)cc1F	ZINC000804419244	938427773	/nfs/dbraw/zinc/42/77/73/938427773.db2.gz	IHLHGNGOXSPZIQ-BLLLJJGKSA-N	1	0	365.836	1.680	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@@H]1n1ccnn1	ZINC001129476491	938432531	/nfs/dbraw/zinc/43/25/31/938432531.db2.gz	JOLGSPXTGWRJTQ-SJORKVTESA-N	1	0	361.490	1.649	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)Cc2ccsc2)C[C@@H]1n1ccnn1	ZINC001129547745	938451451	/nfs/dbraw/zinc/45/14/51/938451451.db2.gz	KORKIHLNAFRWDX-CVEARBPZSA-N	1	0	361.471	1.126	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cc(Cl)c[nH]2)C[C@@H]1n1ccnn1	ZINC001129568310	938457737	/nfs/dbraw/zinc/45/77/37/938457737.db2.gz	CCUGXGWCICJLCV-CABCVRRESA-N	1	0	364.837	1.118	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C)cc2C)[C@@H](n2ccnn2)C1	ZINC001129681571	938484405	/nfs/dbraw/zinc/48/44/05/938484405.db2.gz	UOVRUWRNXQNKOJ-MOPGFXCFSA-N	1	0	369.469	1.639	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]CCCOc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129689771	938485971	/nfs/dbraw/zinc/48/59/71/938485971.db2.gz	ATIHVDBHJBEURA-JQHSSLGASA-N	1	0	368.441	1.248	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccncc2F)C[C@@H]1n1ccnn1	ZINC001129703388	938489066	/nfs/dbraw/zinc/48/90/66/938489066.db2.gz	AMPXBUVTOQXWCY-XKQJLSEDSA-N	1	0	358.421	1.822	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H]([NH2+]CCCC(C)(C)C)[C@@H](n2ccnn2)C1	ZINC001129796025	938509306	/nfs/dbraw/zinc/50/93/06/938509306.db2.gz	YBWMEQJTDQZAAZ-JTDSTZFVSA-N	1	0	363.506	1.773	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCc3nnc(C)n3C2)C1	ZINC001086625097	938509783	/nfs/dbraw/zinc/50/97/83/938509783.db2.gz	LAUXCSYCAFYBOT-GBESFXJTSA-N	1	0	365.481	1.919	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnnc(C)c2)C[C@@H]1n1ccnn1	ZINC001129782344	938515151	/nfs/dbraw/zinc/51/51/51/938515151.db2.gz	HKTBYNWWPKXNEO-XYPHTWIQSA-N	1	0	355.446	1.387	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCC(F)(F)C2)[C@@H](n2ccnn2)C1	ZINC001129822494	938522167	/nfs/dbraw/zinc/52/21/67/938522167.db2.gz	VEPQVULVMIRBIH-OAGGEKHMSA-N	1	0	365.428	1.714	20	30		FDEDRO
Cc1ncsc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1n1ccnn1	ZINC001129825275	938522889	/nfs/dbraw/zinc/52/28/89/938522889.db2.gz	QVYLKAFPTIABNO-CABCVRRESA-N	1	0	358.471	1.244	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]Cc2ccnc(OC)c2)[C@@H](n2ccnn2)C1	ZINC001129829215	938523364	/nfs/dbraw/zinc/52/33/64/938523364.db2.gz	AYFYVWZDQNSKTA-SJORKVTESA-N	1	0	368.441	1.027	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COc2cc(C)ccc2F)C[C@@H]1n1ccnn1	ZINC001129845152	938525361	/nfs/dbraw/zinc/52/53/61/938525361.db2.gz	NDPGGCREQRUZHF-SJORKVTESA-N	1	0	371.416	1.169	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)noc2CCC)C[C@@H]1n1ccnn1	ZINC001129844771	938525440	/nfs/dbraw/zinc/52/54/40/938525440.db2.gz	KEGYUTLWUROIFP-CABCVRRESA-N	1	0	356.430	1.206	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCC(=C)C)[C@@H](n2ccnn2)C1	ZINC001129855669	938528663	/nfs/dbraw/zinc/52/86/63/938528663.db2.gz	PLVYWYROWBVZOO-BDXSIMOUSA-N	1	0	359.474	1.567	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H]2Cc3ccccc3O2)C[C@@H]1n1ccnn1	ZINC001129863339	938531701	/nfs/dbraw/zinc/53/17/01/938531701.db2.gz	CGMGYFFMSUNRJN-KURKYZTESA-N	1	0	365.437	1.037	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C2(c3ccccn3)CC2)C[C@@H]1n1ccnn1	ZINC001129838364	938535563	/nfs/dbraw/zinc/53/55/63/938535563.db2.gz	VZDILZUNBXKPBS-SJORKVTESA-N	1	0	366.469	1.713	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc(OCCC)c2)C[C@@H]1n1ccnn1	ZINC001129878731	938536073	/nfs/dbraw/zinc/53/60/73/938536073.db2.gz	BYRKTGQEHJWPOK-MOPGFXCFSA-N	1	0	367.453	1.746	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H]([NH2+]CCC2CC2)[C@@H](n2ccnn2)C1)OCC	ZINC001129878810	938536248	/nfs/dbraw/zinc/53/62/48/938536248.db2.gz	GTUSBAPHWFAGMQ-SQNIBIBYSA-N	1	0	361.490	1.791	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCOc2ccc(C)c(C)c2)C[C@@H]1n1ccnn1	ZINC001129884705	938538828	/nfs/dbraw/zinc/53/88/28/938538828.db2.gz	RNEIFZFHKZTGCR-MOPGFXCFSA-N	1	0	367.453	1.339	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(F)(F)C2)C[C@@H]1n1ccnn1	ZINC001129887506	938540046	/nfs/dbraw/zinc/54/00/46/938540046.db2.gz	CCNDPUAJQFUGAF-ZNMIVQPWSA-N	1	0	369.416	1.258	20	30		FDEDRO
C[C@]1(CNC(=O)C(=O)NCCCCC#N)CC[N@H+](Cc2ccccc2)C1	ZINC000804717928	938540521	/nfs/dbraw/zinc/54/05/21/938540521.db2.gz	NBJUBVRQFWWZBG-HXUWFJFHSA-N	1	0	356.470	1.825	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc3c([nH]2)CCOC3)C[C@@H]1n1ccnn1	ZINC001129890681	938541632	/nfs/dbraw/zinc/54/16/32/938541632.db2.gz	VRPONKTWMIYJPS-MSOLQXFVSA-N	1	0	370.457	1.300	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)CC(F)F)C[C@@H]1n1ccnn1	ZINC001129892243	938542883	/nfs/dbraw/zinc/54/28/83/938542883.db2.gz	ODCJTVLSTOKWGL-ZNMIVQPWSA-N	1	0	371.432	1.504	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)CCCC3)C[C@@H]1n1ccnn1	ZINC001129876144	938546468	/nfs/dbraw/zinc/54/64/68/938546468.db2.gz	CNWZEIGVPCJWMP-ZBFHGGJFSA-N	1	0	355.446	1.042	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C/C=C/c2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001129907158	938549009	/nfs/dbraw/zinc/54/90/09/938549009.db2.gz	UMARVFFQPPZBSE-HKVCONOFSA-N	1	0	367.428	1.886	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H]([NH2+]CCCC=C)[C@@H](n3ccnn3)C2)CCOCC1	ZINC001129894862	938556013	/nfs/dbraw/zinc/55/60/13/938556013.db2.gz	VLUDLUMZJUHLMX-MSOLQXFVSA-N	1	0	371.485	1.406	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]([NH2+]CC=C(C)C)[C@@H](n2ccnn2)C1	ZINC001129894659	938556096	/nfs/dbraw/zinc/55/60/96/938556096.db2.gz	NRIZGEPQOSDBCE-AEFFLSMTSA-N	1	0	354.458	1.887	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cccn2CC=C)C[C@@H]1n1ccnn1	ZINC001129894800	938556104	/nfs/dbraw/zinc/55/61/04/938556104.db2.gz	TVZFNVWUOUNSJZ-AEFFLSMTSA-N	1	0	370.457	1.124	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C/C=C\c2cccc(F)c2)C[C@@H]1n1ccnn1	ZINC001129895992	938557435	/nfs/dbraw/zinc/55/74/35/938557435.db2.gz	MRTULXWPFZXHBR-XYDITTIYSA-N	1	0	353.401	1.495	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc3nc(C)oc3c2)C[C@@H]1n1ccnn1	ZINC001129899893	938559550	/nfs/dbraw/zinc/55/95/50/938559550.db2.gz	QSMKNDPDLASNPT-SJORKVTESA-N	1	0	364.409	1.406	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2cnn(C)c2)C[C@@H]1n1ccnn1	ZINC001129941328	938566739	/nfs/dbraw/zinc/56/67/39/938566739.db2.gz	UXOLQGKIGBFWQI-JQHSSLGASA-N	1	0	371.489	1.513	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccnc2C2CC2)C[C@@H]1n1ccnn1	ZINC001129923396	938568948	/nfs/dbraw/zinc/56/89/48/938568948.db2.gz	AERYXEVRSCAQLK-SJORKVTESA-N	1	0	350.426	1.229	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(OC)c(F)c2)C[C@@H]1n1ccnn1	ZINC001129926924	938571104	/nfs/dbraw/zinc/57/11/04/938571104.db2.gz	ILPRNHJLDIBOQH-SJORKVTESA-N	1	0	371.416	1.033	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cn2nc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001129927163	938571408	/nfs/dbraw/zinc/57/14/08/938571408.db2.gz	PEMVQXKZSGAPNM-SJORKVTESA-N	1	0	357.462	1.099	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCc2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001129948978	938573859	/nfs/dbraw/zinc/57/38/59/938573859.db2.gz	IXDZXVKVQKPNHX-UHOSZYNNSA-N	1	0	369.469	1.719	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCc2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001129949125	938574111	/nfs/dbraw/zinc/57/41/11/938574111.db2.gz	QFFVJNMNJNMRBE-UHOSZYNNSA-N	1	0	369.469	1.719	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2OCCc3ccccc32)C[C@@H]1n1ccnn1	ZINC001129952082	938575323	/nfs/dbraw/zinc/57/53/23/938575323.db2.gz	HDLBACAGTBJTSK-QYZOEREBSA-N	1	0	367.453	1.510	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(F)cc2C)C[C@@H]1n1ccnn1	ZINC001129954259	938576379	/nfs/dbraw/zinc/57/63/79/938576379.db2.gz	FFCWCJAPGMUASX-SJORKVTESA-N	1	0	355.417	1.713	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](OCC)C2CCCC2)C[C@@H]1n1ccnn1	ZINC001129957038	938577409	/nfs/dbraw/zinc/57/74/09/938577409.db2.gz	SQNFZMCPBSYJER-FGTMMUONSA-N	1	0	359.474	1.238	20	30		FDEDRO
C[C@@H]1C[C@H]1C(=O)N1C[C@@H]([NH2+]CC#Cc2ccc(F)cc2)[C@@H](n2ccnn2)C1	ZINC001129959045	938577677	/nfs/dbraw/zinc/57/76/77/938577677.db2.gz	DCCMYHDOZJUUOO-AXUOBQJMSA-N	1	0	367.428	1.466	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CN(C(=O)CCCF)C[C@@H]2n2ccnn2)cc1	ZINC001129969457	938586759	/nfs/dbraw/zinc/58/67/59/938586759.db2.gz	TVXUIFJHCFTXQC-SJORKVTESA-N	1	0	356.405	1.441	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H]([NH2+]CCOCC(C)C)[C@@H](n2ccnn2)C1	ZINC001129977867	938593100	/nfs/dbraw/zinc/59/31/00/938593100.db2.gz	IJTMKMKTXHGAKK-KURKYZTESA-N	1	0	363.506	1.895	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2ccc(=O)[nH]c2)C[C@@H]1n1ccnn1	ZINC001129977879	938593114	/nfs/dbraw/zinc/59/31/14/938593114.db2.gz	ISXXXEHIDYDWJD-SJORKVTESA-N	1	0	370.457	1.319	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H]([NH2+]Cc2cn(C)nc2C)[C@@H](n2ccnn2)C1	ZINC001129977974	938593388	/nfs/dbraw/zinc/59/33/88/938593388.db2.gz	MMJABTWJINRFAG-NXHRZFHOSA-N	1	0	371.489	1.464	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2ncccc2F)C[C@@H]1n1ccnn1	ZINC001129980357	938595494	/nfs/dbraw/zinc/59/54/94/938595494.db2.gz	HGORNKNYVYQALA-SJORKVTESA-N	1	0	358.421	1.363	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)Cc2cnoc2)C[C@@H]1n1ccnn1	ZINC001129980684	938595626	/nfs/dbraw/zinc/59/56/26/938595626.db2.gz	UCBCAMUUFCIQQF-SJORKVTESA-N	1	0	360.462	1.821	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cc[nH]c2C2CC2)C[C@@H]1n1ccnn1	ZINC001129980695	938595735	/nfs/dbraw/zinc/59/57/35/938595735.db2.gz	UQPYNVPULKKEPG-SJORKVTESA-N	1	0	370.457	1.342	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C)N2CCOCC2)C1	ZINC001086627501	938596590	/nfs/dbraw/zinc/59/65/90/938596590.db2.gz	MGQSFTKFZBKNEP-YSIASYRMSA-N	1	0	357.498	1.867	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C)N2CCOCC2)C1	ZINC001086627660	938597133	/nfs/dbraw/zinc/59/71/33/938597133.db2.gz	UBRDHHUSCNYULC-YSIASYRMSA-N	1	0	357.498	1.867	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(F)c(F)cc2F)C[C@@H]1n1ccnn1	ZINC001129983235	938598126	/nfs/dbraw/zinc/59/81/26/938598126.db2.gz	SRNKMGCXTKPJAN-CVEARBPZSA-N	1	0	363.343	1.374	20	30		FDEDRO
CCCCC1(C(=O)N2C[C@@H]([NH2+]CC#CCOC)[C@@H](n3ccnn3)C2)CC1	ZINC001130003021	938605617	/nfs/dbraw/zinc/60/56/17/938605617.db2.gz	ZJAXZVUHPXWDCA-SJORKVTESA-N	1	0	359.474	1.240	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H]([NH2+]C[C@H]3CCOC3)[C@@H](n3ccnn3)C2)CC1	ZINC001129998928	938606526	/nfs/dbraw/zinc/60/65/26/938606526.db2.gz	ANTOGQKBFMIJIW-ZACQAIPSSA-N	1	0	359.474	1.403	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCc3ccccc3OC2)CC1	ZINC000804891897	938610842	/nfs/dbraw/zinc/61/08/42/938610842.db2.gz	KFCMGVJNYXXSGK-KRWDZBQOSA-N	1	0	357.454	1.263	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2noc3c2CCCC3)C[C@@H]1n1ccnn1	ZINC001130015319	938616666	/nfs/dbraw/zinc/61/66/66/938616666.db2.gz	RJIZURABDYFFSS-CVEARBPZSA-N	1	0	370.457	1.766	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccc(C)[nH]c2=O)C[C@@H]1n1ccnn1	ZINC001130020638	938619484	/nfs/dbraw/zinc/61/94/84/938619484.db2.gz	PLKCZSWRCRMTQF-XKQJLSEDSA-N	1	0	370.457	1.697	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2ccnc2)C[C@@H]1n1ccnn1	ZINC001130022823	938621096	/nfs/dbraw/zinc/62/10/96/938621096.db2.gz	NXIOORCEACBTAH-BBWFWOEESA-N	1	0	357.462	1.434	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2ccnc2)C[C@@H]1n1ccnn1	ZINC001130023138	938621295	/nfs/dbraw/zinc/62/12/95/938621295.db2.gz	XFTPJVXBHKXRAM-BBWFWOEESA-N	1	0	357.462	1.434	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ocnc2C2CC2)C[C@@H]1n1ccnn1	ZINC001130006135	938623653	/nfs/dbraw/zinc/62/36/53/938623653.db2.gz	UWTMGKPMYSJDQE-CABCVRRESA-N	1	0	356.430	1.765	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2cccnc2)C[C@@H]1n1ccnn1	ZINC001130006236	938623662	/nfs/dbraw/zinc/62/36/62/938623662.db2.gz	YVUYMJZNGBOUNZ-OIISXLGYSA-N	1	0	356.430	1.058	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2cccnc2)C[C@@H]1n1ccnn1	ZINC001130006196	938623664	/nfs/dbraw/zinc/62/36/64/938623664.db2.gz	XICMIIJRIQJTLE-JQHSSLGASA-N	1	0	370.457	1.448	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2cccc(F)c2F)C[C@@H]1n1ccnn1	ZINC001130024278	938628227	/nfs/dbraw/zinc/62/82/27/938628227.db2.gz	PYKREWALRJBSMT-CVEARBPZSA-N	1	0	361.396	1.717	20	30		FDEDRO
CCC[C@@H](C(=O)N1C[C@@H]([NH2+]CC#CCOC)[C@@H](n2ccnn2)C1)C(C)C	ZINC001130026370	938629202	/nfs/dbraw/zinc/62/92/02/938629202.db2.gz	NBNLTCREHJZGIZ-KURKYZTESA-N	1	0	361.490	1.342	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2csc3cncn32)C[C@@H]1n1ccnn1	ZINC001130026627	938629527	/nfs/dbraw/zinc/62/95/27/938629527.db2.gz	WTKOATRKJCHVSH-KGLIPLIRSA-N	1	0	371.470	1.609	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(=O)[nH]c(CCC)c2)C[C@@H]1n1ccnn1	ZINC001130030476	938631979	/nfs/dbraw/zinc/63/19/79/938631979.db2.gz	BXMHHUYWIASXGV-SJORKVTESA-N	1	0	368.441	1.010	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnc(C)nc2C(C)C)C[C@@H]1n1ccnn1	ZINC001130034510	938634653	/nfs/dbraw/zinc/63/46/53/938634653.db2.gz	QRQWSIQQVWRTPW-SJORKVTESA-N	1	0	367.457	1.179	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCOc3ccccc32)C[C@@H]1n1ccnn1	ZINC001130044191	938643638	/nfs/dbraw/zinc/64/36/38/938643638.db2.gz	VJIYEVKEYNDVJU-KURKYZTESA-N	1	0	367.453	1.762	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2ncccn2)C[C@@H]1n1ccnn1	ZINC001130047455	938646924	/nfs/dbraw/zinc/64/69/24/938646924.db2.gz	BRMNEJVASFYZJL-CVEARBPZSA-N	1	0	355.446	1.470	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2coc(CC3CC3)n2)C[C@@H]1n1ccnn1	ZINC001130062693	938650990	/nfs/dbraw/zinc/65/09/90/938650990.db2.gz	RUHSGUFBPBJXHQ-WBVHZDCISA-N	1	0	370.457	1.840	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)nn2C)C[C@@H]1n1ccnn1	ZINC001130066563	938655322	/nfs/dbraw/zinc/65/53/22/938655322.db2.gz	FNXCTLWUVCEIKQ-WBVHZDCISA-N	1	0	357.462	1.366	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccnc(OC(C)C)c2)C[C@@H]1n1ccnn1	ZINC001130081479	938662843	/nfs/dbraw/zinc/66/28/43/938662843.db2.gz	QZBOQHLDNBRNMM-SJORKVTESA-N	1	0	368.441	1.139	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3c([nH]2)CCCC3)C[C@@H]1n1ccnn1	ZINC001130074630	938668888	/nfs/dbraw/zinc/66/88/88/938668888.db2.gz	CLOVNWQRTBOARN-MSOLQXFVSA-N	1	0	352.442	1.164	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnn(C(C)C)c2C)C[C@@H]1n1ccnn1	ZINC001130079427	938672504	/nfs/dbraw/zinc/67/25/04/938672504.db2.gz	JKHNNICKBLFWQA-MSOLQXFVSA-N	1	0	371.489	1.985	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C2CCCC2)C[C@@H]1n1ccnn1	ZINC001130079736	938672711	/nfs/dbraw/zinc/67/27/11/938672711.db2.gz	XKQRUAHQHXXBOM-JQHSSLGASA-N	1	0	359.474	1.096	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2sccc2COC)C[C@@H]1n1ccnn1	ZINC001130089023	938675542	/nfs/dbraw/zinc/67/55/42/938675542.db2.gz	VCMMNSSBPJSALD-CABCVRRESA-N	1	0	359.455	1.165	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]C[C@@H](C)CC)[C@@H](n3ccnn3)C2)nc1	ZINC001130091219	938676407	/nfs/dbraw/zinc/67/64/07/938676407.db2.gz	GPHAIYATLVSCED-QGTPRVQTSA-N	1	0	352.442	1.356	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COC[C@H](C)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130107690	938687445	/nfs/dbraw/zinc/68/74/45/938687445.db2.gz	VXYQLSWNANPCAO-UHOSZYNNSA-N	1	0	367.453	1.073	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](OC)C2CCCC2)C[C@@H]1n1ccnn1	ZINC001130110061	938689006	/nfs/dbraw/zinc/68/90/06/938689006.db2.gz	RWYJCOBPEITAGX-SQNIBIBYSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2ccccc2OC)C[C@@H]1n1ccnn1	ZINC001130112713	938692304	/nfs/dbraw/zinc/69/23/04/938692304.db2.gz	NJYYRQZCWHRWLI-MSOLQXFVSA-N	1	0	369.469	1.837	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)COc2ccccc2C)C[C@@H]1n1ccnn1	ZINC001130112636	938692319	/nfs/dbraw/zinc/69/23/19/938692319.db2.gz	KDMYLJVWOLSCKJ-MSOLQXFVSA-N	1	0	369.469	1.973	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001130112983	938692916	/nfs/dbraw/zinc/69/29/16/938692916.db2.gz	XNEJYMDGVKXGNK-UHOSZYNNSA-N	1	0	369.469	1.972	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(C)c(C)c2)C[C@@H]1n1ccnn1	ZINC001130115046	938694310	/nfs/dbraw/zinc/69/43/10/938694310.db2.gz	QOVGNSUSJAQMJI-MOPGFXCFSA-N	1	0	351.454	1.502	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2C(C)C)C[C@@H]1n1ccnn1	ZINC001130127826	938697529	/nfs/dbraw/zinc/69/75/29/938697529.db2.gz	LDZSINJKQJOULW-SJORKVTESA-N	1	0	371.489	1.757	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2ccnc(C)n2)C[C@@H]1n1ccnn1	ZINC001130129660	938699264	/nfs/dbraw/zinc/69/92/64/938699264.db2.gz	RCAXFXVINJVFIR-MSOLQXFVSA-N	1	0	369.473	1.778	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COc2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001130118483	938701778	/nfs/dbraw/zinc/70/17/78/938701778.db2.gz	HPBWOMKXIUBCSC-MSOLQXFVSA-N	1	0	353.426	1.030	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c(C)onc2CC)C[C@@H]1n1ccnn1	ZINC001130121022	938703547	/nfs/dbraw/zinc/70/35/47/938703547.db2.gz	IVAYQIOHZSZQGG-CVEARBPZSA-N	1	0	358.446	1.758	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c(C)n[nH]c2C)C[C@@H]1n1ccnn1	ZINC001130121656	938703935	/nfs/dbraw/zinc/70/39/35/938703935.db2.gz	XQWCGZBSXOHVOQ-VHSSKADRSA-N	1	0	371.489	1.557	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCc2cc(C)ccc2C)C[C@@H]1n1ccnn1	ZINC001130146653	938706682	/nfs/dbraw/zinc/70/66/82/938706682.db2.gz	VMDIGPCMYLOLKU-UXHICEINSA-N	1	0	365.481	1.893	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCCn2cccn2)C[C@@H]1n1ccnn1	ZINC001130132862	938708022	/nfs/dbraw/zinc/70/80/22/938708022.db2.gz	UFCIAFBVQNECAB-SJORKVTESA-N	1	0	357.462	1.263	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001130137442	938710528	/nfs/dbraw/zinc/71/05/28/938710528.db2.gz	ZNEHUKPNJQTMQD-LZQZEXGQSA-N	1	0	369.444	1.976	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cnccc2C)[C@@H](n2ccnn2)C1	ZINC001130151022	938715352	/nfs/dbraw/zinc/71/53/52/938715352.db2.gz	GCZVMGVZKXPEIG-NXHRZFHOSA-N	1	0	370.457	1.114	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(c3ccccc3C)CC2)C[C@@H]1n1ccnn1	ZINC001130153417	938717158	/nfs/dbraw/zinc/71/71/58/938717158.db2.gz	QFEBMIMLZRMPGZ-MOPGFXCFSA-N	1	0	363.465	1.683	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H]([NH2+]CC#CC)[C@@H](n3ccnn3)C2)CCCCC1	ZINC001130155397	938718438	/nfs/dbraw/zinc/71/84/38/938718438.db2.gz	DRURASPSIFGOOC-MSOLQXFVSA-N	1	0	353.470	1.617	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C2(CCc3ccccc3)CC2)C[C@@H]1n1ccnn1	ZINC001130161044	938721364	/nfs/dbraw/zinc/72/13/64/938721364.db2.gz	NDRNNXSZBXGAHO-MOPGFXCFSA-N	1	0	363.465	1.666	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](OCC)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130148264	938722549	/nfs/dbraw/zinc/72/25/49/938722549.db2.gz	LULKCDOLOSQZCP-QYZOEREBSA-N	1	0	367.453	1.421	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)COC(C)C)n1	ZINC001130190895	938736179	/nfs/dbraw/zinc/73/61/79/938736179.db2.gz	SEGAGRVYJOJLFK-STQMWFEESA-N	1	0	371.869	1.061	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC2=CCCCC2)[nH]1	ZINC001130196078	938739593	/nfs/dbraw/zinc/73/95/93/938739593.db2.gz	QXBINURKJPPBBZ-HOTGVXAUSA-N	1	0	359.474	1.960	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCc2ccco2)[nH]1	ZINC001130182866	938742043	/nfs/dbraw/zinc/74/20/43/938742043.db2.gz	FLZSUKLNSWLYJO-GJZGRUSLSA-N	1	0	359.430	1.295	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCCC)n1	ZINC001130184784	938743813	/nfs/dbraw/zinc/74/38/13/938743813.db2.gz	FYGHKMAAGZPPQO-STQMWFEESA-N	1	0	355.870	1.826	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=CC2CC2)[nH]1	ZINC001130203218	938744830	/nfs/dbraw/zinc/74/48/30/938744830.db2.gz	UCDQCXRUPIQJRQ-XFCCUVRLSA-N	1	0	359.474	1.815	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H](C)SC)[nH]1	ZINC001130203087	938745008	/nfs/dbraw/zinc/74/50/08/938745008.db2.gz	SGISAPFDNKOJRJ-AGIUHOORSA-N	1	0	353.492	1.211	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2ccc(C)o2)[nH]1	ZINC001130202752	938755407	/nfs/dbraw/zinc/75/54/07/938755407.db2.gz	JGWCNRMOVMRHSF-HOTGVXAUSA-N	1	0	371.441	1.050	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCC(F)F)[nH]1	ZINC001130223419	938757540	/nfs/dbraw/zinc/75/75/40/938757540.db2.gz	SPWCELHKZABWSK-STQMWFEESA-N	1	0	371.432	1.895	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(F)ccc2C)n1	ZINC001130224821	938758832	/nfs/dbraw/zinc/75/88/32/938758832.db2.gz	DDGOZWNPFOATND-HOCLYGCPSA-N	1	0	371.416	1.278	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC23CC3)[nH]1	ZINC001130240074	938760259	/nfs/dbraw/zinc/76/02/59/938760259.db2.gz	HHPSVEFOBRORGE-KKUMJFAQSA-N	1	0	359.474	1.649	20	30		FDEDRO
C=CC(C)(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCC2CC2)[nH]1	ZINC001130227750	938761836	/nfs/dbraw/zinc/76/18/36/938761836.db2.gz	NHNAIAOBIHFPIA-GJZGRUSLSA-N	1	0	361.490	1.895	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)c2ccco2)[nH]1	ZINC001130238170	938767630	/nfs/dbraw/zinc/76/76/30/938767630.db2.gz	WWGPFJYJQJMXJA-YDHLFZDLSA-N	1	0	359.430	1.466	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@H]2CCC)n1	ZINC001130240562	938768599	/nfs/dbraw/zinc/76/85/99/938768599.db2.gz	UXSFRHJBRYXYSJ-QXSJWSMHSA-N	1	0	359.474	1.343	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2c(C)cccc2C)n1	ZINC001130240629	938768717	/nfs/dbraw/zinc/76/87/17/938768717.db2.gz	WTELEWGKHSINFI-HOTGVXAUSA-N	1	0	367.453	1.447	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@]2(C)CC=C(C)CC2)n1	ZINC001130251534	938774805	/nfs/dbraw/zinc/77/48/05/938774805.db2.gz	ZPLJTBAZMJTKKM-TWOQFEAHSA-N	1	0	371.485	1.653	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)C(C)(C)C)CC1	ZINC001130282286	938779642	/nfs/dbraw/zinc/77/96/42/938779642.db2.gz	QNSSXMWWNOAVME-WBVHZDCISA-N	1	0	363.502	1.653	20	30		FDEDRO
CC(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CSCC#N)CC1	ZINC001130274287	938786481	/nfs/dbraw/zinc/78/64/81/938786481.db2.gz	FRAFUEXXKBZDGS-QAPCUYQASA-N	1	0	366.531	1.375	20	30		FDEDRO
C=C(C)CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@@H](C)OC)CC1	ZINC001130276679	938787584	/nfs/dbraw/zinc/78/75/84/938787584.db2.gz	KSXWVKPLPKXNDP-MDYRTPRTSA-N	1	0	365.518	1.853	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)OCCC=C)CC1	ZINC001130279045	938789284	/nfs/dbraw/zinc/78/92/84/938789284.db2.gz	RCFRTETVNSMVSF-WDYCEAGBSA-N	1	0	361.486	1.076	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCCCOC)CC1	ZINC001130285380	938790172	/nfs/dbraw/zinc/79/01/72/938790172.db2.gz	GPNCSXFPXCXHKF-XLIONFOSSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC2(O)CCC2)CC1	ZINC001130291101	938795664	/nfs/dbraw/zinc/79/56/64/938795664.db2.gz	WLTBPSMZJXNSDB-APWZRJJASA-N	1	0	363.502	1.343	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2(CC#C)CCC2)CC1	ZINC001130291171	938795943	/nfs/dbraw/zinc/79/59/43/938795943.db2.gz	ZVMBRLSNOWEFNY-MJGOQNOKSA-N	1	0	355.482	1.289	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)CC(F)F)CC1	ZINC001130293243	938796791	/nfs/dbraw/zinc/79/67/91/938796791.db2.gz	PGQSQWUQMSCAGQ-MRRJBJDNSA-N	1	0	357.445	1.939	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C(C)C)CC1	ZINC001130309706	938806697	/nfs/dbraw/zinc/80/66/97/938806697.db2.gz	WQDPSZYPSSHNRB-APWZRJJASA-N	1	0	351.491	1.463	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C3=COCCO3)C2)cc1F	ZINC001086635458	938840695	/nfs/dbraw/zinc/84/06/95/938840695.db2.gz	OXIOYZPIQBEUPL-XJKSGUPXSA-N	1	0	359.401	1.960	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]2C2CCC2)C1	ZINC001130430900	938846254	/nfs/dbraw/zinc/84/62/54/938846254.db2.gz	KQVMJRUUKZGKRG-YTQUADARSA-N	1	0	370.497	1.901	20	30		FDEDRO
CCC[C@@H]1C[C@H]1C(=O)NCc1c[nH]nc1[C@H]1CC[N@H+](CC#CCOC)C1	ZINC001130419933	938848328	/nfs/dbraw/zinc/84/83/28/938848328.db2.gz	HZUJGMUZBXUXDR-SOLBZPMBSA-N	1	0	358.486	1.901	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130482758	938877144	/nfs/dbraw/zinc/87/71/44/938877144.db2.gz	CDXLFUAGKHCEAK-PKOBYXMFSA-N	1	0	354.454	1.821	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCCCC)C[C@H]1c1cn(C)cn1	ZINC001130498223	938882525	/nfs/dbraw/zinc/88/25/25/938882525.db2.gz	VGMAJRLFFZPQCD-DOTOQJQBSA-N	1	0	361.490	1.187	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccccc2O)C[C@H]1c1cn(C)cn1	ZINC001130500625	938884381	/nfs/dbraw/zinc/88/43/81/938884381.db2.gz	MPWFCKVERXYQJO-FUHWJXTLSA-N	1	0	370.453	1.526	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2CC(C)(C)C2)C[C@H]1c1cn(C)cn1	ZINC001130574288	939874563	/nfs/dbraw/zinc/87/45/63/939874563.db2.gz	RTYNFCCQIHIKRG-FUHWJXTLSA-N	1	0	358.486	1.390	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCn2cccn2)C1	ZINC001130574211	939874572	/nfs/dbraw/zinc/87/45/72/939874572.db2.gz	NMQSWNPXQMKIQG-FUHWJXTLSA-N	1	0	354.458	1.004	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCC(F)(F)F)C1	ZINC001130583623	939883848	/nfs/dbraw/zinc/88/38/48/939883848.db2.gz	JIALNWYXUZPFBB-DZGCQCFKSA-N	1	0	356.392	1.916	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC/C=C/CC)C1	ZINC001130587241	939887145	/nfs/dbraw/zinc/88/71/45/939887145.db2.gz	HVZPOIFKIVVRRS-BUPXIBQPSA-N	1	0	358.486	1.700	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC[C@@H]2CCCO2)C1	ZINC001130578606	939891447	/nfs/dbraw/zinc/89/14/47/939891447.db2.gz	VNAMRMWZJIKVKC-JENIJYKNSA-N	1	0	358.486	1.677	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@H](C)c2cnccn2)C1	ZINC001130578631	939891501	/nfs/dbraw/zinc/89/15/01/939891501.db2.gz	WUVXQSUQRXVEQL-JTDSTZFVSA-N	1	0	366.469	1.659	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccnn2CCC)C[C@H]1c1cn(C)cn1	ZINC001130601207	939895396	/nfs/dbraw/zinc/89/53/96/939895396.db2.gz	YVFLKDIANKCNKN-DOTOQJQBSA-N	1	0	354.458	1.248	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2ccncn2)C[C@H]1c1cn(C)cn1	ZINC001130600313	939895413	/nfs/dbraw/zinc/89/54/13/939895413.db2.gz	BMZDAFRZIQLIDD-PKOBYXMFSA-N	1	0	368.485	1.693	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCCCC)C1	ZINC001130592907	939899969	/nfs/dbraw/zinc/89/99/69/939899969.db2.gz	LBXCGLBXQNGOEJ-PKOBYXMFSA-N	1	0	360.502	1.924	20	30		FDEDRO
Cn1cnc([C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2[NH2+]Cc2cccnc2)c1	ZINC001130592856	939899998	/nfs/dbraw/zinc/89/99/98/939899998.db2.gz	IEMGDJZQUHQGDT-PKOBYXMFSA-N	1	0	365.481	1.949	20	30		FDEDRO
Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000747325416	939901069	/nfs/dbraw/zinc/90/10/69/939901069.db2.gz	IZCYFOZTKANUDH-LSDHHAIUSA-N	1	0	354.410	1.843	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2ccn(CC)n2)C[C@H]1c1cn(C)cn1	ZINC001130596523	939903228	/nfs/dbraw/zinc/90/32/28/939903228.db2.gz	HOACEGSNHNBYKT-FUHWJXTLSA-N	1	0	356.474	1.339	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccnn2C(C)C)C[C@H]1c1cn(C)cn1	ZINC001130599119	939904724	/nfs/dbraw/zinc/90/47/24/939904724.db2.gz	JAXGOYJHVMACPH-DOTOQJQBSA-N	1	0	354.458	1.419	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C)NC(=O)CC)C[C@H]1c1cn(C)cn1	ZINC001130599395	939904960	/nfs/dbraw/zinc/90/49/60/939904960.db2.gz	RAWODMSTGDTDBE-YQQAZPJKSA-N	1	0	361.490	1.185	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC=C(C)C)C1	ZINC001130610772	939908225	/nfs/dbraw/zinc/90/82/25/939908225.db2.gz	QCZFFBDPPVEMCR-SXLOBPIMSA-N	1	0	369.513	1.368	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H](OCC)C(C)C)C[C@H]1c1cn(C)cn1	ZINC001130611081	939908298	/nfs/dbraw/zinc/90/82/98/939908298.db2.gz	WVTFVVARUNCDDY-UHOSZYNNSA-N	1	0	360.502	1.779	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnc3[nH]ccc3c2)C[C@H]1c1cn(C)cn1	ZINC001130612394	939910140	/nfs/dbraw/zinc/91/01/40/939910140.db2.gz	YMXJBHBEXICACO-FUHWJXTLSA-N	1	0	362.437	1.469	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1c1cn(C)cn1	ZINC001130604501	939915772	/nfs/dbraw/zinc/91/57/72/939915772.db2.gz	DMJTXDISXRRNGY-DOTOQJQBSA-N	1	0	364.465	1.789	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2cccnc2)C[C@H]1c1cn(C)cn1	ZINC001130623554	939921636	/nfs/dbraw/zinc/92/16/36/939921636.db2.gz	DKMMNJDQKOFYPT-PKOBYXMFSA-N	1	0	351.454	1.355	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3O2)C[C@H]1c1cn(C)cn1	ZINC001130624561	939922714	/nfs/dbraw/zinc/92/27/14/939922714.db2.gz	YGGALLDOERBHOF-HQRMLTQVSA-N	1	0	364.449	1.331	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(OCC)n[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130616936	939928267	/nfs/dbraw/zinc/92/82/67/939928267.db2.gz	KSWHRUAEYIIVIU-XJKSGUPXSA-N	1	0	358.446	1.316	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](F)C(C)C)C[C@H]1c1cn(C)cn1	ZINC001130647281	939955841	/nfs/dbraw/zinc/95/58/41/939955841.db2.gz	YXDKNMXBFXPTKQ-USXIJHARSA-N	1	0	352.454	1.501	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnnn2CC)C1	ZINC001130664129	939957020	/nfs/dbraw/zinc/95/70/20/939957020.db2.gz	HYFOYWXPYAKRPK-FUHWJXTLSA-N	1	0	371.489	1.472	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cncn2C)C1	ZINC001130656353	939960693	/nfs/dbraw/zinc/96/06/93/939960693.db2.gz	GNWLJMKAYAHBLK-VDZJLULYSA-N	1	0	370.501	1.840	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCOc2ccc(F)cc2)C[C@H]1c1cn(C)cn1	ZINC001130659454	939965538	/nfs/dbraw/zinc/96/55/38/939965538.db2.gz	NGONWBWNCLTCAK-PKOBYXMFSA-N	1	0	370.428	1.546	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)C(F)(F)F)C[C@H]1c1cn(C)cn1	ZINC001130659404	939965641	/nfs/dbraw/zinc/96/56/41/939965641.db2.gz	KWATXXVJNKHTEY-VNHYZAJKSA-N	1	0	356.392	1.916	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1c1cn(C)cn1	ZINC001130680178	939968700	/nfs/dbraw/zinc/96/87/00/939968700.db2.gz	DUKUHUUCIBTRJP-UWWQBHOKSA-N	1	0	354.458	1.763	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccn(C)c2CC)C[C@H]1c1cn(C)cn1	ZINC001130671951	939970701	/nfs/dbraw/zinc/97/07/01/939970701.db2.gz	DNTQHZQITLAWNY-FUHWJXTLSA-N	1	0	353.470	1.542	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1c1cn(C)cn1	ZINC001130672796	939971943	/nfs/dbraw/zinc/97/19/43/939971943.db2.gz	ZLVBILNJVZXXAY-JENIJYKNSA-N	1	0	359.518	1.755	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cncc(OC)n2)C[C@H]1c1cn(C)cn1	ZINC001130687455	939977086	/nfs/dbraw/zinc/97/70/86/939977086.db2.gz	AXDBQFXEADHLSX-WMLDXEAASA-N	1	0	370.457	1.383	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130692632	939981260	/nfs/dbraw/zinc/98/12/60/939981260.db2.gz	VBMSOUFQAPAIMO-MAUKXSAKSA-N	1	0	371.489	1.493	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2nonc2C)C[C@H]1c1cn(C)cn1	ZINC001130704296	939985100	/nfs/dbraw/zinc/98/51/00/939985100.db2.gz	IVJNFMXCACWXCL-WMLDXEAASA-N	1	0	358.446	1.204	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)nn2)C[C@H]1c1cn(C)cn1	ZINC001130706345	939988032	/nfs/dbraw/zinc/98/80/32/939988032.db2.gz	AHXDDDXNOMTHEI-WMLDXEAASA-N	1	0	370.457	1.383	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)COC)C[C@H]1c1cn(C)cn1	ZINC001130706873	939988753	/nfs/dbraw/zinc/98/87/53/939988753.db2.gz	XTQNDUMVOZJQQH-XYJFISCASA-N	1	0	364.490	1.179	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn(CCC)nn2)C[C@H]1c1cn(C)cn1	ZINC001130700900	939996014	/nfs/dbraw/zinc/99/60/14/939996014.db2.gz	IRAHDZUZGBCBFY-GOEBONIOSA-N	1	0	357.462	1.196	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCOCCCOC)C[C@H]1c1cn(C)cn1	ZINC001130709929	939998104	/nfs/dbraw/zinc/99/81/04/939998104.db2.gz	IQOHVJQHDHAVEL-FUHWJXTLSA-N	1	0	364.490	1.323	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC[C@@H](C)F)C2)nc1	ZINC001130714552	940006244	/nfs/dbraw/zinc/00/62/44/940006244.db2.gz	CWVYFSSILAKSRU-SIXWZSSISA-N	1	0	369.444	1.742	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC=C(C)C)C2)cn1	ZINC001130714813	940006639	/nfs/dbraw/zinc/00/66/39/940006639.db2.gz	KLPPFKPGWQOBOQ-AZUAARDMSA-N	1	0	363.465	1.960	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCCCC)C2)C1=O	ZINC001111678595	940018287	/nfs/dbraw/zinc/01/82/87/940018287.db2.gz	LVJHXTVTVRMBOF-QKLQHJQFSA-N	1	0	363.502	1.561	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccccc2OC)C[C@H]1c1cn(C)cn1	ZINC001130723544	940028479	/nfs/dbraw/zinc/02/84/79/940028479.db2.gz	PWCOTJKTBJQZSN-PKOBYXMFSA-N	1	0	366.465	1.579	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCCC(C)C)C[C@H]1c1cn(C)cn1	ZINC001130736337	940037153	/nfs/dbraw/zinc/03/71/53/940037153.db2.gz	BOBQETIQXFLQCN-ZIFCJYIRSA-N	1	0	360.502	1.779	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COC[C@@H]2CCCO2)C[C@H]1c1cn(C)cn1	ZINC001130739838	940042142	/nfs/dbraw/zinc/04/21/42/940042142.db2.gz	QKKFAIMKTCHHHD-XYJFISCASA-N	1	0	362.474	1.076	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]C[C@H](C)O)C2)CCCC1	ZINC001130742042	940046589	/nfs/dbraw/zinc/04/65/89/940046589.db2.gz	XDTOBILEHXZSDK-XYJFISCASA-N	1	0	360.502	1.821	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOC(C)C)C1	ZINC001130742026	940046632	/nfs/dbraw/zinc/04/66/32/940046632.db2.gz	WOHGTCYAAUOYJJ-FUHWJXTLSA-N	1	0	364.490	1.322	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3CCC3)n2)O1	ZINC001130744711	940048462	/nfs/dbraw/zinc/04/84/62/940048462.db2.gz	IVADXEQZWNLVLJ-QWHCGFSZSA-N	1	0	353.854	1.783	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cnn(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130749538	940055855	/nfs/dbraw/zinc/05/58/55/940055855.db2.gz	KFCIIIYOLCJHFA-QILLFSRXSA-N	1	0	356.474	1.417	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C2CCOCC2)C[C@H]1c1cn(C)cn1	ZINC001130749721	940056177	/nfs/dbraw/zinc/05/61/77/940056177.db2.gz	OTEZFBLDQRUPTI-VDZJLULYSA-N	1	0	358.486	1.390	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cccs3)n2)O1	ZINC001130753156	940062723	/nfs/dbraw/zinc/06/27/23/940062723.db2.gz	UJUUHLYNXCBNDR-QWHCGFSZSA-N	1	0	359.455	1.629	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCOC3)n2)O1	ZINC001130761828	940068453	/nfs/dbraw/zinc/06/84/53/940068453.db2.gz	GVHIRERHMSWPRY-RWMBFGLXSA-N	1	0	369.853	1.020	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC=C)O2)n[nH]1	ZINC001130762046	940069126	/nfs/dbraw/zinc/06/91/26/940069126.db2.gz	MZJMRUJBWKLDPI-SOUVJXGZSA-N	1	0	363.462	1.398	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC=CCC3)n2)O1	ZINC001130756630	940079691	/nfs/dbraw/zinc/07/96/91/940079691.db2.gz	RHNWBKSGDYTDHY-OWCLPIDISA-N	1	0	357.458	1.610	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)/C=C\C(C)(C)C)n2)O1	ZINC001130767401	940100572	/nfs/dbraw/zinc/10/05/72/940100572.db2.gz	HRQHDHGTUWCFJW-VUFKQPGHSA-N	1	0	359.474	1.856	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cocn3)n2)O1	ZINC001130767645	940101939	/nfs/dbraw/zinc/10/19/39/940101939.db2.gz	QKUGNQKAJXIKAN-CMPLNLGQSA-N	1	0	366.809	1.285	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H]3CCOC3)n2)O1	ZINC001130769299	940105629	/nfs/dbraw/zinc/10/56/29/940105629.db2.gz	BODZKELRLTXKKU-SOUVJXGZSA-N	1	0	363.462	1.233	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C/C=C/Cl)O2)n[nH]1	ZINC001130769987	940108198	/nfs/dbraw/zinc/10/81/98/940108198.db2.gz	SVIPTCIIUMZSNA-KTDZKYTCSA-N	1	0	352.826	1.143	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3ccon3)n2)O1	ZINC001130776827	940127040	/nfs/dbraw/zinc/12/70/40/940127040.db2.gz	NEXZYQNEDJPZBS-UONOGXRCSA-N	1	0	360.418	1.037	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC3(F)F)n2)O1	ZINC001130778291	940131425	/nfs/dbraw/zinc/13/14/25/940131425.db2.gz	PCOLIUCSBYDZEO-SDDRHHMPSA-N	1	0	355.389	1.462	20	30		FDEDRO
C#CCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C/C=C/Cl)O2)n[nH]1	ZINC001130778430	940131992	/nfs/dbraw/zinc/13/19/92/940131992.db2.gz	XTQJSTCNUVFLTM-DBMMHUENSA-N	1	0	365.865	1.787	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(C)nn3)n2)O1	ZINC001130781054	940135844	/nfs/dbraw/zinc/13/58/44/940135844.db2.gz	MVKBROWRNPSRQE-DZGCQCFKSA-N	1	0	371.445	1.219	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C#CC(C)(C)C)n2)O1	ZINC001130781139	940136181	/nfs/dbraw/zinc/13/61/81/940136181.db2.gz	PYJTZELIELAAFZ-LSDHHAIUSA-N	1	0	357.458	1.303	20	30		FDEDRO
C=CC(C)(C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+][C@H](C)COC)O2)n[nH]1	ZINC001130795872	940148995	/nfs/dbraw/zinc/14/89/95/940148995.db2.gz	BRDUKSGMZTTYIS-HZSPNIEDSA-N	1	0	365.478	1.478	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3C=CC=CC=C3)n2)O1	ZINC001130787250	940156086	/nfs/dbraw/zinc/15/60/86/940156086.db2.gz	HIUZTONRMNEPKM-DLBZAZTESA-N	1	0	367.453	1.552	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(CC)o3)n2)O1	ZINC001130790052	940161733	/nfs/dbraw/zinc/16/17/33/940161733.db2.gz	FSFZUUASAYZWHL-UONOGXRCSA-N	1	0	357.414	1.333	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCCC34CC4)n2)O1	ZINC001130790308	940163341	/nfs/dbraw/zinc/16/33/41/940163341.db2.gz	SMFSYFYPWXSKJE-HRCADAONSA-N	1	0	371.485	1.834	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H]3C[C@H]3C3CC3)n2)O1	ZINC001130792715	940172700	/nfs/dbraw/zinc/17/27/00/940172700.db2.gz	UENBDXKTAFKGTD-LUKYLMHMSA-N	1	0	371.485	1.690	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3cccnc3C)n2)O1	ZINC001130808981	940184208	/nfs/dbraw/zinc/18/42/08/940184208.db2.gz	AMBCBENNTPFBJT-JKSUJKDBSA-N	1	0	370.457	1.363	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC34CCC4)n2)O1	ZINC001130809324	940187476	/nfs/dbraw/zinc/18/74/76/940187476.db2.gz	RHJZDYTYPOYARY-SOUVJXGZSA-N	1	0	357.458	1.444	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3occc3Cl)n2)O1	ZINC001130809343	940187697	/nfs/dbraw/zinc/18/76/97/940187697.db2.gz	SRPNQVNEQQGMBP-CMPLNLGQSA-N	1	0	363.805	1.424	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc[nH]c3C(C)C)n2)O1	ZINC001130799392	940191583	/nfs/dbraw/zinc/19/15/83/940191583.db2.gz	FNKWXLOBZFYAIH-DZGCQCFKSA-N	1	0	370.457	1.629	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)c3cncnc3)n2)O1	ZINC001130802198	940196630	/nfs/dbraw/zinc/19/66/30/940196630.db2.gz	HIRNXTKURNQHNO-AEGPPILISA-N	1	0	371.445	1.010	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC#CC)O2)n[nH]1	ZINC001130802196	940196844	/nfs/dbraw/zinc/19/68/44/940196844.db2.gz	HEVJUUOQXCQXRK-QMTMVMCOSA-N	1	0	359.474	1.856	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3c[nH]cc3C3CC3)n2)O1	ZINC001130816490	940218964	/nfs/dbraw/zinc/21/89/64/940218964.db2.gz	ZBRQNWJNLKVPDD-XJKSGUPXSA-N	1	0	370.457	1.936	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccnc(C)n3)n2)O1	ZINC001130819864	940227171	/nfs/dbraw/zinc/22/71/71/940227171.db2.gz	HZZZXJQZJODGHT-DZGCQCFKSA-N	1	0	371.445	1.219	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)/C=C(\C)C2CC2)C[C@H]1c1cncn1C	ZINC001130924919	940321540	/nfs/dbraw/zinc/32/15/40/940321540.db2.gz	JGQKFHBFKRIWSR-MGJGCBFKSA-N	1	0	358.486	1.863	20	30		FDEDRO
C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1	ZINC000807335116	940324177	/nfs/dbraw/zinc/32/41/77/940324177.db2.gz	CJEFOWKDKGAESI-QGZVFWFLSA-N	1	0	367.453	1.134	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C(C)=O)C[C@H]1c1cncn1C	ZINC001130915586	940324847	/nfs/dbraw/zinc/32/48/47/940324847.db2.gz	LSJULAMARNQWNH-DJIMGWMZSA-N	1	0	361.490	1.137	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2C)C[C@H]1c1cncn1C	ZINC001130935821	940332056	/nfs/dbraw/zinc/33/20/56/940332056.db2.gz	NEVHQRODAVGBRE-IAGOWNOFSA-N	1	0	356.474	1.626	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1c1cncn1C	ZINC001130969241	940377361	/nfs/dbraw/zinc/37/73/61/940377361.db2.gz	WDWXYGBVAGITRH-BRWVUGGUSA-N	1	0	371.489	1.341	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnn(CC)n2)C[C@H]1c1cncn1C	ZINC001130978074	940409334	/nfs/dbraw/zinc/40/93/34/940409334.db2.gz	POVFOICUBOGWGK-BFYDXBDKSA-N	1	0	371.489	1.584	20	30		FDEDRO
COCCCCC[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1c1cncn1C	ZINC001130991355	940413542	/nfs/dbraw/zinc/41/35/42/940413542.db2.gz	FLROWKAFQWRJHF-QZTJIDSGSA-N	1	0	360.502	1.780	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC[C@H]2CCCO2)C1	ZINC001130991441	940414126	/nfs/dbraw/zinc/41/41/26/940414126.db2.gz	KTKNKGJZWRPEND-KZNAEPCWSA-N	1	0	358.486	1.533	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)noc2CCC)C[C@H]1c1cncn1C	ZINC001130995586	940419600	/nfs/dbraw/zinc/41/96/00/940419600.db2.gz	HGIQZNUXCAZCSF-HZPDHXFCSA-N	1	0	369.469	1.890	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnnn2CC)C[C@H]1c1cncn1C	ZINC001130986058	940423871	/nfs/dbraw/zinc/42/38/71/940423871.db2.gz	UHRPNOABKFXCGQ-HUUCEWRRSA-N	1	0	357.462	1.196	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2ccncn2)C[C@H]1c1cncn1C	ZINC001131003792	940429943	/nfs/dbraw/zinc/42/99/43/940429943.db2.gz	QFSANUSDXVECRF-IAGOWNOFSA-N	1	0	354.458	1.303	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CC)C1	ZINC001131007771	940434151	/nfs/dbraw/zinc/43/41/51/940434151.db2.gz	KRGBOPRYPDXMGQ-IAGOWNOFSA-N	1	0	351.454	1.629	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)nc(C)c2)C[C@H]1c1cncn1C	ZINC001130999038	940435721	/nfs/dbraw/zinc/43/57/21/940435721.db2.gz	HVMJYASUHJQTQR-QZTJIDSGSA-N	1	0	351.454	1.653	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cncc(Cl)c2C)C[C@H]1c1cncn1C	ZINC001131012107	940443780	/nfs/dbraw/zinc/44/37/80/940443780.db2.gz	BMGOUXNOZPXTKR-NVXWUHKLSA-N	1	0	371.872	1.998	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2(C3CC3)CC2)C[C@H]1c1cncn1C	ZINC001131012471	940444158	/nfs/dbraw/zinc/44/41/58/940444158.db2.gz	KPPWHFHKPGPPIJ-IAGOWNOFSA-N	1	0	356.470	1.144	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C(C)(C)C)C[C@H]1c1cncn1C	ZINC001131014671	940447766	/nfs/dbraw/zinc/44/77/66/940447766.db2.gz	FDEWBOMBUBBMRW-BRWVUGGUSA-N	1	0	360.502	1.636	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cncc2C)C[C@H]1c1cncn1C	ZINC001131031429	940455185	/nfs/dbraw/zinc/45/51/85/940455185.db2.gz	PBOSGYOZFGHKQC-KBAYOESNSA-N	1	0	370.501	1.864	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2CC)C[C@H]1c1cncn1C	ZINC001131022790	940456020	/nfs/dbraw/zinc/45/60/20/940456020.db2.gz	GXZHWNHNKIJXSF-HZPDHXFCSA-N	1	0	356.474	1.490	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccnc(C3CC3)c2)C[C@H]1c1cncn1C	ZINC001131025923	940459067	/nfs/dbraw/zinc/45/90/67/940459067.db2.gz	KJUFFPAYOODVQG-IEBWSBKVSA-N	1	0	363.465	1.914	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(C3CC3)CCOCC2)C[C@H]1c1cncn1C	ZINC001131035713	940465209	/nfs/dbraw/zinc/46/52/09/940465209.db2.gz	OAJCKEXHEAQJGA-QZTJIDSGSA-N	1	0	370.497	1.534	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cn(C(C)C)cn2)C[C@H]1c1cncn1C	ZINC001131038549	940466707	/nfs/dbraw/zinc/46/67/07/940466707.db2.gz	XKANPHLDJSSZDN-HZPDHXFCSA-N	1	0	354.458	1.419	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]C[C@@H](C)OC)C2)cc1	ZINC001131040126	940468111	/nfs/dbraw/zinc/46/81/11/940468111.db2.gz	MOWMMDJGWLKVCI-ATZDWAIDSA-N	1	0	366.465	1.634	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCO1	ZINC000807749309	940471204	/nfs/dbraw/zinc/47/12/04/940471204.db2.gz	SXECOOWQHNDDMW-YSHGAJCASA-N	1	0	369.465	1.063	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@H](CC)OC)C1	ZINC001131051236	940474790	/nfs/dbraw/zinc/47/47/90/940474790.db2.gz	GMDVUDPBDQTHGE-RCCFBDPRSA-N	1	0	360.502	1.923	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CCOC)C1	ZINC001131057367	940477615	/nfs/dbraw/zinc/47/76/15/940477615.db2.gz	FPDKHQVQQFNVJT-KZNAEPCWSA-N	1	0	358.486	1.556	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cncn1C	ZINC001131059907	940478919	/nfs/dbraw/zinc/47/89/19/940478919.db2.gz	ORPNLSWQRFEURL-HUUCEWRRSA-N	1	0	353.898	1.398	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnc(C)n2C)C[C@H]1c1cncn1C	ZINC001131051673	940480132	/nfs/dbraw/zinc/48/01/32/940480132.db2.gz	SXYAJYNOWFYTLD-HZPDHXFCSA-N	1	0	356.474	1.626	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]C[C@@H](F)CC)C2)c1	ZINC001131068083	940483243	/nfs/dbraw/zinc/48/32/43/940483243.db2.gz	LJJXJXFBYHMUDM-RCCFBDPRSA-N	1	0	369.444	1.742	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)C[C@H]1c1cncn1C	ZINC001131075971	940491161	/nfs/dbraw/zinc/49/11/61/940491161.db2.gz	BXTBWLSNPFGYID-RHSMWYFYSA-N	1	0	352.442	1.242	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C[C@H]1c1cncn1C	ZINC001131076152	940491229	/nfs/dbraw/zinc/49/12/29/940491229.db2.gz	GWTNSXSBXSUBGJ-BSDSXHPESA-N	1	0	368.485	1.417	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C(C)C)C1	ZINC001131086294	940493369	/nfs/dbraw/zinc/49/33/69/940493369.db2.gz	KVNKPHBTRUDXLG-BRWVUGGUSA-N	1	0	361.490	1.183	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCCCO2)C[C@H]1c1cncn1C	ZINC001131086367	940493557	/nfs/dbraw/zinc/49/35/57/940493557.db2.gz	ODQRGANNXUBPMO-KZNAEPCWSA-N	1	0	358.486	1.677	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC)C1	ZINC001131086566	940493573	/nfs/dbraw/zinc/49/35/73/940493573.db2.gz	SVMMQHFIDQQUQC-IXDOHACOSA-N	1	0	361.490	1.185	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnc(C)nc2C)C[C@H]1c1cncn1C	ZINC001131089708	940495115	/nfs/dbraw/zinc/49/51/15/940495115.db2.gz	VOKHINRLKGWANK-QZTJIDSGSA-N	1	0	368.485	1.991	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(CC)nn2C)C[C@H]1c1cncn1C	ZINC001131093693	940496567	/nfs/dbraw/zinc/49/65/67/940496567.db2.gz	DFIAMMSNNQDLGY-HZPDHXFCSA-N	1	0	356.474	1.490	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(Cl)cn2)C[C@H]1c1cncn1C	ZINC001131113079	940499204	/nfs/dbraw/zinc/49/92/04/940499204.db2.gz	SNQAJTQNRYUBDA-GDBMZVCRSA-N	1	0	357.845	1.690	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCc2cccnc2)C[C@H]1c1cncn1C	ZINC001131103594	940501124	/nfs/dbraw/zinc/50/11/24/940501124.db2.gz	RVVKWLYQMAVXCW-QZTJIDSGSA-N	1	0	351.454	1.355	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@H]1c1cncn1C	ZINC001131106337	940501830	/nfs/dbraw/zinc/50/18/30/940501830.db2.gz	UUQDVQWEWAPQMJ-HUUCEWRRSA-N	1	0	354.458	1.028	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCOCCCOC)C[C@H]1c1cncn1C	ZINC001131106242	940501941	/nfs/dbraw/zinc/50/19/41/940501941.db2.gz	QQYRJWDZDUSFPV-IAGOWNOFSA-N	1	0	364.490	1.323	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2)C[C@H]1c1cncn1C	ZINC001131117542	940504312	/nfs/dbraw/zinc/50/43/12/940504312.db2.gz	CQXVLOAHUYYVDO-BHIYHBOVSA-N	1	0	366.465	1.795	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCCCNC(C)=O)C[C@H]1c1cncn1C	ZINC001131117742	940504611	/nfs/dbraw/zinc/50/46/11/940504611.db2.gz	PJKKRQGXUFJPSU-IAGOWNOFSA-N	1	0	361.490	1.187	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2CCC=CCC2)C[C@H]1c1cncn1C	ZINC001131121285	940506706	/nfs/dbraw/zinc/50/67/06/940506706.db2.gz	QQTJTDQBXZFEFR-RTBURBONSA-N	1	0	370.497	1.700	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cncnc2CC)C[C@H]1c1cncn1C	ZINC001131125561	940507827	/nfs/dbraw/zinc/50/78/27/940507827.db2.gz	GXOGBNCJRDAKBP-NVXWUHKLSA-N	1	0	354.458	1.546	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCCc2ccccn2)C[C@H]1c1cncn1C	ZINC001131115177	940508625	/nfs/dbraw/zinc/50/86/25/940508625.db2.gz	BLBZPIIKGSIWBC-RTBURBONSA-N	1	0	365.481	1.745	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCO)C2)CCCCC1	ZINC001131130319	940510937	/nfs/dbraw/zinc/51/09/37/940510937.db2.gz	GMFPUWNSWANOPE-IAGOWNOFSA-N	1	0	360.502	1.823	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(N(C)C)ccn2)C[C@H]1c1cncn1C	ZINC001131133033	940512721	/nfs/dbraw/zinc/51/27/21/940512721.db2.gz	YLTCQZNZYHEELM-SJLPKXTDSA-N	1	0	368.485	1.655	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCCn2ccnc2)C[C@H]1c1cncn1C	ZINC001131136273	940513381	/nfs/dbraw/zinc/51/33/81/940513381.db2.gz	FJKCPQDRXSUUNC-IAGOWNOFSA-N	1	0	354.458	1.004	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2cncc(F)c2)C[C@H]1c1cncn1C	ZINC001131136360	940513436	/nfs/dbraw/zinc/51/34/36/940513436.db2.gz	JUATUGDQCTYDSI-QZTJIDSGSA-N	1	0	369.444	1.494	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC23CCOCC3)C[C@H]1c1cncn1C	ZINC001131136471	940513464	/nfs/dbraw/zinc/51/34/64/940513464.db2.gz	OVOUZJHGOYMGBP-BRWVUGGUSA-N	1	0	358.486	1.697	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)C(=O)Nc2ncccc2O)CC1	ZINC000808143570	940522037	/nfs/dbraw/zinc/52/20/37/940522037.db2.gz	BCSZTUBYTGBHRL-UONOGXRCSA-N	1	0	358.442	1.212	20	30		FDEDRO
C=CCOc1ccc(/C=C/C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)cc1OC	ZINC000808156550	940523311	/nfs/dbraw/zinc/52/33/11/940523311.db2.gz	LEIFXKIEGRWNCF-AAXUHFPESA-N	1	0	372.465	1.941	20	30		FDEDRO
C#C[C@@H](NC(=O)NCc1ccncc1OCCC[NH+](C)C)[C@@H]1CCCO1	ZINC000808291299	940538403	/nfs/dbraw/zinc/53/84/03/940538403.db2.gz	HQTVQXHEWYEEEY-SJORKVTESA-N	1	0	360.458	1.392	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1=O	ZINC001131237723	940539704	/nfs/dbraw/zinc/53/97/04/940539704.db2.gz	ONJGVSIOWMUHPB-FIKGOQFSSA-N	1	0	369.465	1.220	20	30		FDEDRO
Cc1c(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(F)ccc3C#N)C2)nnn1C	ZINC001086663826	940543522	/nfs/dbraw/zinc/54/35/22/940543522.db2.gz	JVWDMIUWGCTEMX-SUMWQHHRSA-N	1	0	370.432	1.823	20	30		FDEDRO
C=CCCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CCCOCC)C[C@H]32)C1	ZINC001131303817	940547716	/nfs/dbraw/zinc/54/77/16/940547716.db2.gz	CZTYSHMHFULDPH-ZACQAIPSSA-N	1	0	365.474	1.485	20	30		FDEDRO
C=CCCCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCCOC)C[C@H]32)C1	ZINC001131312982	940552695	/nfs/dbraw/zinc/55/26/95/940552695.db2.gz	CYEAUKYPNINOHL-BBWFWOEESA-N	1	0	365.474	1.485	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1	ZINC001131383647	940559494	/nfs/dbraw/zinc/55/94/94/940559494.db2.gz	STINIWYOOLKWNC-MLHJIOFPSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(C)=O)CC1	ZINC001131412268	940563019	/nfs/dbraw/zinc/56/30/19/940563019.db2.gz	AQCFFXGANHLOSI-YJLNNSPDSA-N	1	0	351.491	1.463	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccnc2)CC1	ZINC001131412576	940563059	/nfs/dbraw/zinc/56/30/59/940563059.db2.gz	IRVQHELNQWMNNG-MOPGFXCFSA-N	1	0	357.454	1.331	20	30		FDEDRO
COc1ncccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1	ZINC001086667934	940565294	/nfs/dbraw/zinc/56/52/94/940565294.db2.gz	BLCIXADELGBHHB-XJKSGUPXSA-N	1	0	353.426	1.978	20	30		FDEDRO
C[C@@H](F)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CSCC#N)CC1	ZINC001131429671	940567369	/nfs/dbraw/zinc/56/73/69/940567369.db2.gz	QOJYPEMMGAAMAD-UNEWFSDZSA-N	1	0	357.495	1.977	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc[n+]([O-])cc2)CC1	ZINC001131416766	940567687	/nfs/dbraw/zinc/56/76/87/940567687.db2.gz	PDCUBXMBDUCSPR-MOPGFXCFSA-N	1	0	359.470	1.886	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc4n(n3)CCC4)C2)c1	ZINC001086668919	940596007	/nfs/dbraw/zinc/59/60/07/940596007.db2.gz	FAIOADAXVHVBFJ-DZGCQCFKSA-N	1	0	352.442	1.717	20	30		FDEDRO
CCOCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC#CCOC)CC1	ZINC001131451788	940605867	/nfs/dbraw/zinc/60/58/67/940605867.db2.gz	UWRUHXOLSPGJLS-MJGOQNOKSA-N	1	0	352.475	1.049	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H]2CCOC2)CC1	ZINC001131458932	940613634	/nfs/dbraw/zinc/61/36/34/940613634.db2.gz	ZGPPOGYQRYKWKS-HQRMLTQVSA-N	1	0	366.502	1.601	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H]2CCOC2)CC1	ZINC001131458902	940613977	/nfs/dbraw/zinc/61/39/77/940613977.db2.gz	XZEPNUGKOKCDGN-POAQFYNOSA-N	1	0	364.486	1.049	20	30		FDEDRO
C#CCCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N(C)C)CC1	ZINC001131475773	940618281	/nfs/dbraw/zinc/61/82/81/940618281.db2.gz	AKCVYZSXOKLEMT-XLIONFOSSA-N	1	0	363.502	1.254	20	30		FDEDRO
CC[C@H](SC)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC#CCOC)CC1	ZINC001131472926	940627611	/nfs/dbraw/zinc/62/76/11/940627611.db2.gz	FSFOGQWBXFUXEI-SQNIBIBYSA-N	1	0	368.543	1.764	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2CN(C(C)=O)C2)CC1	ZINC001131488140	940632499	/nfs/dbraw/zinc/63/24/99/940632499.db2.gz	YTUYLWFRFPYLIC-MOPGFXCFSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NCC1CC[NH+](CCC(C)C)CC1	ZINC000808838490	940634683	/nfs/dbraw/zinc/63/46/83/940634683.db2.gz	YMMGJXDLTYPHEY-UHFFFAOYSA-N	1	0	374.323	1.886	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOC(C)C)CC1	ZINC001131483041	940638372	/nfs/dbraw/zinc/63/83/72/940638372.db2.gz	LFRFHPNFRUXGSL-HOJAQTOUSA-N	1	0	368.518	1.724	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2ccncc2C)CC1	ZINC001131495742	940646752	/nfs/dbraw/zinc/64/67/52/940646752.db2.gz	CPAPSNLRSUHFHT-CTNGQTDRSA-N	1	0	355.482	1.942	20	30		FDEDRO
CC(C)C#CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCn2cccn2)CC1	ZINC001131496042	940647087	/nfs/dbraw/zinc/64/70/87/940647087.db2.gz	LWFMMECVKNEKDW-QUCCMNQESA-N	1	0	358.486	1.528	20	30		FDEDRO
C#CCOCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C/C=C/Cl)CC1	ZINC001131498500	940648375	/nfs/dbraw/zinc/64/83/75/940648375.db2.gz	BQIIKVMSLBUOCT-FQYGRFKFSA-N	1	0	354.878	1.765	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C/C=C\Cl)CC1	ZINC001131502911	940653205	/nfs/dbraw/zinc/65/32/05/940653205.db2.gz	NCYJXMZDJVBGMQ-HMXXREGPSA-N	1	0	354.878	1.763	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCNC(=O)C2CC2)CC1	ZINC001131510505	940659445	/nfs/dbraw/zinc/65/94/45/940659445.db2.gz	MQRIAHPUPHHWHQ-MJGOQNOKSA-N	1	0	363.502	1.465	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn(C)nc2C2CC2)CC1	ZINC001131506719	940669147	/nfs/dbraw/zinc/66/91/47/940669147.db2.gz	MANKSKHRRNOCKH-QUCCMNQESA-N	1	0	370.497	1.920	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCc3nccn32)CC1	ZINC001131517098	940684425	/nfs/dbraw/zinc/68/44/25/940684425.db2.gz	KICDGMMWFRSAKC-GGPKGHCWSA-N	1	0	370.497	1.770	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc3n(n2)CCCC3)CC1	ZINC001131519070	940687887	/nfs/dbraw/zinc/68/78/87/940687887.db2.gz	DGWQGGQNQSZDNX-QUCCMNQESA-N	1	0	370.497	1.842	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc3nc[nH]c3n2)CC1	ZINC001131519187	940688292	/nfs/dbraw/zinc/68/82/92/940688292.db2.gz	IWIWLRZMNOGBAJ-QAPCUYQASA-N	1	0	367.453	1.581	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2ccc(=O)[nH]c2)CC1	ZINC001131533698	940704567	/nfs/dbraw/zinc/70/45/67/940704567.db2.gz	RHRBVHIWOTXMAF-XLIONFOSSA-N	1	0	357.454	1.339	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2ccnc(C)n2)CC1	ZINC001131533827	940704742	/nfs/dbraw/zinc/70/47/42/940704742.db2.gz	VSTYXJHPPJUPMQ-CTNGQTDRSA-N	1	0	370.497	1.727	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c[nH]nc2CCC)CC1	ZINC001131526146	940710670	/nfs/dbraw/zinc/71/06/70/940710670.db2.gz	AWFRPKKFWCJICM-MOPGFXCFSA-N	1	0	358.486	1.985	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2coc(C(N)=O)c2)CC1	ZINC001131535605	940724908	/nfs/dbraw/zinc/72/49/08/940724908.db2.gz	HFTOMNLIAKWZNY-WBVHZDCISA-N	1	0	361.442	1.554	20	30		FDEDRO
C=CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N(C)C)CC1	ZINC001131555847	940731077	/nfs/dbraw/zinc/73/10/77/940731077.db2.gz	ZKVCAGFQOAACPR-APWZRJJASA-N	1	0	351.491	1.417	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c[nH]c(=O)cc2C)CC1	ZINC001131562367	940735907	/nfs/dbraw/zinc/73/59/07/940735907.db2.gz	QZAJNESWFKPQKH-MJGOQNOKSA-N	1	0	357.454	1.718	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]C[C@H](C)OC)CC2)c1	ZINC001131562185	940736046	/nfs/dbraw/zinc/73/60/46/940736046.db2.gz	OBKFSVRTZCMLFC-BEVDRBHNSA-N	1	0	371.481	1.697	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCO)CC1	ZINC001131550522	940739340	/nfs/dbraw/zinc/73/93/40/940739340.db2.gz	XIMLQVBSXQCCPY-POAQFYNOSA-N	1	0	368.518	1.583	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn3ccccc23)CC1	ZINC001131577690	940754534	/nfs/dbraw/zinc/75/45/34/940754534.db2.gz	BKEKOKCWVUWZHW-QUCCMNQESA-N	1	0	366.465	1.957	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2conc2COC)CC1	ZINC001131593281	940764892	/nfs/dbraw/zinc/76/48/92/940764892.db2.gz	VMXKKOARSXLRLU-AEFFLSMTSA-N	1	0	361.442	1.444	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCC(=O)N(C)C)CC1	ZINC001131600173	940783902	/nfs/dbraw/zinc/78/39/02/940783902.db2.gz	ZQWSKHHZAXWQPN-XLIONFOSSA-N	1	0	363.502	1.254	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)C2CCC2)CC1	ZINC001131608500	940787985	/nfs/dbraw/zinc/78/79/85/940787985.db2.gz	BZJZULIUKGSFNT-MJGOQNOKSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2cnn(C)c2)CC1	ZINC001131608645	940788588	/nfs/dbraw/zinc/78/85/88/940788588.db2.gz	JVHFROIELOKRDO-QUCCMNQESA-N	1	0	360.502	1.915	20	30		FDEDRO
C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O	ZINC001090501953	940829001	/nfs/dbraw/zinc/82/90/01/940829001.db2.gz	GLNKQVRUZBEOHA-SJLPKXTDSA-N	1	0	371.485	1.272	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)cc1C#N	ZINC000809502011	940844810	/nfs/dbraw/zinc/84/48/10/940844810.db2.gz	AVEBKAOPFUCHLF-UHFFFAOYSA-N	1	0	358.442	1.126	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1C#N	ZINC000809502106	940844891	/nfs/dbraw/zinc/84/48/91/940844891.db2.gz	HPACPCHNXHDETF-OAHLLOKOSA-N	1	0	372.469	1.421	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1C#N	ZINC000809503967	940846079	/nfs/dbraw/zinc/84/60/79/940846079.db2.gz	CCOUGNBWCFODSK-QGZVFWFLSA-N	1	0	372.469	1.516	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cn(C)cn3)C2)cc1C#N	ZINC001086674010	940848973	/nfs/dbraw/zinc/84/89/73/940848973.db2.gz	JJFZLJHYTCBOBI-DOTOQJQBSA-N	1	0	367.453	1.989	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cn(C)cn2)C1	ZINC001086674112	940853481	/nfs/dbraw/zinc/85/34/81/940853481.db2.gz	NNKPERPDWFECDY-DOTOQJQBSA-N	1	0	367.453	1.989	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-c3nc[nH]n3)c2)C1	ZINC001195214382	970770189	/nfs/dbraw/zinc/77/01/89/970770189.db2.gz	JXAUYHJDVCNRNY-KBRIMQKVSA-N	1	0	355.442	1.601	20	30		FDEDRO
C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCc1cc(C#N)ccc1F	ZINC000809867301	940913274	/nfs/dbraw/zinc/91/32/74/940913274.db2.gz	PFFPRQBQZJJTOS-MRXNPFEDSA-N	1	0	360.433	1.550	20	30		FDEDRO
C#CCN(CC)c1nnc(CN2CC[NH+](Cc3ccc(C)cc3)CC2)n1C	ZINC000809867252	940913437	/nfs/dbraw/zinc/91/34/37/940913437.db2.gz	NULHMJFPFBYXRT-UHFFFAOYSA-N	1	0	366.513	1.901	20	30		FDEDRO
Cn1nc(C2CC2)nc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1	ZINC001086676295	940933107	/nfs/dbraw/zinc/93/31/07/940933107.db2.gz	PSLIZFXHDQMBSQ-GXTWGEPZSA-N	1	0	367.457	1.581	20	30		FDEDRO
CCc1nnc([C@@H](C)[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)[nH]1	ZINC001086676657	940949157	/nfs/dbraw/zinc/94/91/57/940949157.db2.gz	OJUHTQJKXNGXFM-MBNYWOFBSA-N	1	0	355.446	1.816	20	30		FDEDRO
CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000810441485	940994470	/nfs/dbraw/zinc/99/44/70/940994470.db2.gz	NJCVBDVVHBRHME-LBPRGKRZSA-N	1	0	350.394	1.511	20	30		FDEDRO
C#Cc1ccccc1CC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1	ZINC000810487308	941002464	/nfs/dbraw/zinc/00/24/64/941002464.db2.gz	QBZYGYDPLBXBLS-UHFFFAOYSA-N	1	0	369.509	1.953	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)N(CC)CC)CC1	ZINC000747626539	941046070	/nfs/dbraw/zinc/04/60/70/941046070.db2.gz	ZTXZYCASVIKOSI-FQEVSTJZSA-N	1	0	369.509	1.928	20	30		FDEDRO
N#Cc1ccccc1OCC(=O)O[C@@H]1CCCN(c2cc[nH+]c(N)n2)C1	ZINC000810765077	941054380	/nfs/dbraw/zinc/05/43/80/941054380.db2.gz	VWTMXVZRJBFMQJ-CQSZACIVSA-N	1	0	353.382	1.521	20	30		FDEDRO
CCn1ncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(F)ccc3C#N)C2)n1	ZINC001086690378	941099447	/nfs/dbraw/zinc/09/94/47/941099447.db2.gz	IUTNKAJOKZHBKC-SUMWQHHRSA-N	1	0	370.432	1.997	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1	ZINC001086695339	941135201	/nfs/dbraw/zinc/13/52/01/941135201.db2.gz	MSWBAISHTBPNPN-MELADBBJSA-N	1	0	365.865	1.390	20	30		FDEDRO
C[NH+]1CCN(c2ccc(NS(=O)(=O)c3cncc(C#N)c3)cc2)CC1	ZINC000811823509	941168224	/nfs/dbraw/zinc/16/82/24/941168224.db2.gz	ZEMDOXIFBWTLQQ-UHFFFAOYSA-N	1	0	357.439	1.506	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)N2CCCc3ccccc32)CC1	ZINC000747824737	941290499	/nfs/dbraw/zinc/29/04/99/941290499.db2.gz	QKEITXIHSPZKLG-MRXNPFEDSA-N	1	0	353.466	1.816	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c([nH]c1=O)CCC3)C2	ZINC001110103456	941460612	/nfs/dbraw/zinc/46/06/12/941460612.db2.gz	VGTLELLNXCCMOW-JLSDUUJJSA-N	1	0	357.454	1.814	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]Cc1cc(-c2cnn(C)c2C)no1	ZINC001134053015	941529860	/nfs/dbraw/zinc/52/98/60/941529860.db2.gz	KHJZCNGIGCKDHB-PBHICJAKSA-N	1	0	359.430	1.180	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N[C@H](C)CCCC(C)C	ZINC001134054341	941531122	/nfs/dbraw/zinc/53/11/22/941531122.db2.gz	GGLRKPRDLUJTRV-ZACQAIPSSA-N	1	0	353.507	1.614	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(CC(C)C)CC(C)C	ZINC001134055096	941531534	/nfs/dbraw/zinc/53/15/34/941531534.db2.gz	ZEITWLIAOQFVHD-SJORKVTESA-N	1	0	353.507	1.424	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)Nc1cc(C)ccc1C	ZINC001134062383	941541233	/nfs/dbraw/zinc/54/12/33/941541233.db2.gz	YTIMZPAPLAABRO-NUJGCVRESA-N	1	0	359.470	1.927	20	30		FDEDRO
C=C[C@H](O)C(=O)OCC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1	ZINC000814543300	941674070	/nfs/dbraw/zinc/67/40/70/941674070.db2.gz	FAUWAVUGHVJORP-HOTGVXAUSA-N	1	0	366.845	1.683	20	30		FDEDRO
CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N	ZINC000747965974	941697773	/nfs/dbraw/zinc/69/77/73/941697773.db2.gz	CNVSIFADSDAMLG-JSGCOSHPSA-N	1	0	351.410	1.538	20	30		FDEDRO
Cn1ccc(C=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)n1	ZINC000814727248	941709341	/nfs/dbraw/zinc/70/93/41/941709341.db2.gz	KKMLVZACGSGYOI-UHFFFAOYSA-N	1	0	356.499	1.883	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CC[C@@H](C#N)C1	ZINC000815065574	941772612	/nfs/dbraw/zinc/77/26/12/941772612.db2.gz	HOCVTXWJHAGECN-HUUCEWRRSA-N	1	0	350.463	1.690	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCCC(=O)N3)C2)s1	ZINC001086726808	941779896	/nfs/dbraw/zinc/77/98/96/941779896.db2.gz	ZICHRYLJWFYAOS-WOSRLPQWSA-N	1	0	360.483	1.663	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cnc1C(F)(F)F	ZINC000815152400	941786577	/nfs/dbraw/zinc/78/65/77/941786577.db2.gz	RWWUFOJNEKWJLN-OLZOCXBDSA-N	1	0	354.332	1.565	20	30		FDEDRO
COC(OC)c1c(C#C[Si](C)(C)C)ccnc1N[C@H]1C[NH2+]C[C@@H]1CO	ZINC001170779193	941803181	/nfs/dbraw/zinc/80/31/81/941803181.db2.gz	WOBLVOCUJTYJGH-CABCVRRESA-N	1	0	363.534	1.594	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)C1=O	ZINC001135032480	941866258	/nfs/dbraw/zinc/86/62/58/941866258.db2.gz	NAKOIQALDAADQR-RCCFBDPRSA-N	1	0	357.454	1.291	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)C1=O	ZINC001135032478	941866424	/nfs/dbraw/zinc/86/64/24/941866424.db2.gz	NAKOIQALDAADQR-KSZLIROESA-N	1	0	357.454	1.291	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCCCCC1	ZINC001135058101	941873967	/nfs/dbraw/zinc/87/39/67/941873967.db2.gz	FAOIFWVKFHBBNL-WMZOPIPTSA-N	1	0	351.491	1.466	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NCCC(C)C	ZINC001135067776	941883539	/nfs/dbraw/zinc/88/35/39/941883539.db2.gz	LXEZRKKYOUQQIM-IKGGRYGDSA-N	1	0	353.507	1.614	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCCC[C@H]1CC	ZINC001135067930	941884096	/nfs/dbraw/zinc/88/40/96/941884096.db2.gz	SITSFKLWGXJTAQ-AOIWGVFYSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1c2ccccc2C[C@H]1C	ZINC001135146001	941930180	/nfs/dbraw/zinc/93/01/80/941930180.db2.gz	YVRKVZCPKPVIMY-SYNHAJSKSA-N	1	0	371.481	1.651	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@@H]1OCC[C@@H]1c1ccccc1	ZINC001135134954	941931480	/nfs/dbraw/zinc/93/14/80/941931480.db2.gz	HZMUBFOPPLHGAP-UYAOXDASSA-N	1	0	371.481	1.466	20	30		FDEDRO
C#CCN(C)CCC[NH2+][C@@H](C1CC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000815652575	941933092	/nfs/dbraw/zinc/93/30/92/941933092.db2.gz	IWFVXPXBOBLQNR-MSOLQXFVSA-N	1	0	365.518	1.946	20	30		FDEDRO
N#Cc1cccc(C[NH2+]CCNC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)c1	ZINC001135139026	941934509	/nfs/dbraw/zinc/93/45/09/941934509.db2.gz	WYIATRLYCCSZQB-QZTJIDSGSA-N	1	0	353.426	1.066	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(C(F)(F)F)c(OC)c1	ZINC000815860513	941996160	/nfs/dbraw/zinc/99/61/60/941996160.db2.gz	OYTIRKHFJOGVMH-UHFFFAOYSA-N	1	0	371.359	1.724	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)N1CC2(CCC2)c2c1cccc2F	ZINC000815860298	941996199	/nfs/dbraw/zinc/99/61/99/941996199.db2.gz	FWSASZMTECLJME-UHFFFAOYSA-N	1	0	357.429	1.665	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C)c(NC(C)=O)c1C	ZINC000815860324	941996243	/nfs/dbraw/zinc/99/62/43/941996243.db2.gz	GXWMGMUQBNRABE-UHFFFAOYSA-N	1	0	358.442	1.272	20	30		FDEDRO
CN1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)CC1=O	ZINC001086735243	942097414	/nfs/dbraw/zinc/09/74/14/942097414.db2.gz	NSGFVOKCRJOFPI-IPMKNSEASA-N	1	0	368.481	1.801	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccn(C)c(=O)c2)C1	ZINC001086735580	942101706	/nfs/dbraw/zinc/10/17/06/942101706.db2.gz	DJCAZJFFKQKVFB-GXTWGEPZSA-N	1	0	368.275	1.782	20	30		FDEDRO
CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](C[NH2+]CC(C)(C)C#N)C1	ZINC000816568674	942264933	/nfs/dbraw/zinc/26/49/33/942264933.db2.gz	NGYQWNXELVXJDH-CQSZACIVSA-N	1	0	352.479	1.889	20	30		FDEDRO
C#CCOc1ccc(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)cc1	ZINC000816746068	942331147	/nfs/dbraw/zinc/33/11/47/942331147.db2.gz	HQSWJQOQHPQLGD-UHFFFAOYSA-N	1	0	357.454	1.421	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C)c(C)n3)C2)C1=O	ZINC001086759397	942380410	/nfs/dbraw/zinc/38/04/10/942380410.db2.gz	DVMBJRVEFYVNNI-SCTDSRPQSA-N	1	0	370.497	1.973	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3nncn3CC2)C1	ZINC001086761111	942384669	/nfs/dbraw/zinc/38/46/69/942384669.db2.gz	OHDHLUQWAOBERY-SOUVJXGZSA-N	1	0	351.882	1.858	20	30		FDEDRO
Cn1c(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)c[nH]c1=O	ZINC001086777475	942452239	/nfs/dbraw/zinc/45/22/39/942452239.db2.gz	SFJPUYZZZICFBK-NWDGAFQWSA-N	1	0	359.455	1.747	20	30		FDEDRO
Cc1nn[nH]c1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC001086773028	942458390	/nfs/dbraw/zinc/45/83/90/942458390.db2.gz	QIYBNSQTNTUEOJ-SWLSCSKDSA-N	1	0	356.405	1.812	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCNC2=O)C1	ZINC001086776607	942474020	/nfs/dbraw/zinc/47/40/20/942474020.db2.gz	LVXDODNLPDYIAU-UAGQMJEPSA-N	1	0	370.453	1.077	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC(=O)N2C)C1	ZINC001086783055	942490494	/nfs/dbraw/zinc/49/04/94/942490494.db2.gz	GICPQWWQXRJAON-YNEHKIRRSA-N	1	0	358.280	1.390	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(=O)cn3)C2)c1	ZINC001086788364	942523098	/nfs/dbraw/zinc/52/30/98/942523098.db2.gz	LBSRCKLSZHSYTB-JKSUJKDBSA-N	1	0	351.410	1.330	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ocnc3CC)C2)C1=O	ZINC001086798509	942635386	/nfs/dbraw/zinc/63/53/86/942635386.db2.gz	QYZGZGHVYJROJB-SQWLQELKSA-N	1	0	360.458	1.512	20	30		FDEDRO
C#C[C@@H](NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)C1CCOCC1	ZINC000856120484	970924542	/nfs/dbraw/zinc/92/45/42/970924542.db2.gz	QDXDJKIBFIJKLM-HZPDHXFCSA-N	1	0	367.490	1.376	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnc3n2CCCC3)C1	ZINC001086806471	942805339	/nfs/dbraw/zinc/80/53/39/942805339.db2.gz	VKQPGTUAQHMDFQ-HZMVEIRTSA-N	1	0	373.501	1.580	20	30		FDEDRO
CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1nc2cc(C#N)c(C#N)cc2nc1Cl	ZINC001170873993	942851281	/nfs/dbraw/zinc/85/12/81/942851281.db2.gz	OOPOFNOZQUFDRH-BXUZGUMPSA-N	1	0	370.800	1.590	20	30		FDEDRO
N#Cc1cc(N[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)ccc1N1CCC(O)CC1	ZINC000817920567	943078184	/nfs/dbraw/zinc/07/81/84/943078184.db2.gz	PRFBXEDTHRLUAO-VQTJNVASSA-N	1	0	356.470	1.698	20	30		FDEDRO
C=CCn1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)NC(=O)OC(C)(C)C)nn1	ZINC000818346687	943216515	/nfs/dbraw/zinc/21/65/15/943216515.db2.gz	HWHKUFBALHHYCL-NUEKZKHPSA-N	1	0	365.478	1.872	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)CSCC(=O)N(C)C1CCCCC1	ZINC000818584263	943294490	/nfs/dbraw/zinc/29/44/90/943294490.db2.gz	KELCDMHWNHSPSD-UHFFFAOYSA-N	1	0	353.532	1.582	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2OC)C1	ZINC000818593021	943324724	/nfs/dbraw/zinc/32/47/24/943324724.db2.gz	HZUMDNKYDNGKAK-HNNXBMFYSA-N	1	0	373.453	1.128	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@@]1(CC#C)CCCN1C(=O)OC(C)(C)C	ZINC000818592967	943324757	/nfs/dbraw/zinc/32/47/57/943324757.db2.gz	GPLGUWHVIFICDO-HXUWFJFHSA-N	1	0	361.486	1.851	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]CCNc2ncccc2C#N)cc1	ZINC000818976134	943390854	/nfs/dbraw/zinc/39/08/54/943390854.db2.gz	UXBIRJPBRULZBT-QGZVFWFLSA-N	1	0	351.410	1.461	20	30		FDEDRO
N#Cc1cccnc1NCC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000818976086	943390920	/nfs/dbraw/zinc/39/09/20/943390920.db2.gz	STEFREHQSYLSRF-OAHLLOKOSA-N	1	0	357.370	1.303	20	30		FDEDRO
C[N@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](C#N)C1	ZINC001195487773	970987745	/nfs/dbraw/zinc/98/77/45/970987745.db2.gz	KUGJVFOFWKMOOC-STQMWFEESA-N	1	0	352.416	1.497	20	30		FDEDRO
O=C(NCC[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1)C1N=CC=CC1=O	ZINC000819050147	943395637	/nfs/dbraw/zinc/39/56/37/943395637.db2.gz	QUBMBKIMBQXYSA-HDUPEWFZSA-N	1	0	369.343	1.855	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccn3)C2)nn1	ZINC001086824707	943414396	/nfs/dbraw/zinc/41/43/96/943414396.db2.gz	VJXHGAYWZJYFFV-JKSUJKDBSA-N	1	0	354.458	1.938	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cncn3C)C2)nn1	ZINC001086824758	943415213	/nfs/dbraw/zinc/41/52/13/943415213.db2.gz	XRAAJVPUPYSCNW-LSDHHAIUSA-N	1	0	357.462	1.276	20	30		FDEDRO
CS(=O)(=O)c1ccc([C@H](O)C[NH2+]CCOc2ccc(C#N)cc2)cc1	ZINC000819107663	943424432	/nfs/dbraw/zinc/42/44/32/943424432.db2.gz	NHWFWNXVRXMLEN-GOSISDBHSA-N	1	0	360.435	1.664	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl	ZINC000819222047	943493461	/nfs/dbraw/zinc/49/34/61/943493461.db2.gz	LPFXLXANPBOWHZ-NSHDSACASA-N	1	0	368.282	1.924	20	30		FDEDRO
C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)c1ccc(N2CCCOC2=O)cc1	ZINC000819330332	943529550	/nfs/dbraw/zinc/52/95/50/943529550.db2.gz	OBDPTFUCNOZFBN-YJBOKZPZSA-N	1	0	360.458	1.890	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnns2)C1	ZINC001086826591	943544085	/nfs/dbraw/zinc/54/40/85/943544085.db2.gz	YEILFKAYFFPEPV-XRGAULLZSA-N	1	0	350.488	1.894	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)nc1	ZINC000819312418	943544114	/nfs/dbraw/zinc/54/41/14/943544114.db2.gz	RWZFVTZGJVYFPJ-MRXNPFEDSA-N	1	0	352.394	1.367	20	30		FDEDRO
CN(CCC#N)C[C@H](O)CNc1ccc(N2CCC([NH+](C)C)CC2)cc1	ZINC000819466526	943603567	/nfs/dbraw/zinc/60/35/67/943603567.db2.gz	XHEZXIMCDIENFC-HXUWFJFHSA-N	1	0	359.518	1.835	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCCNC(=O)CCCc2ccccc2)CC1	ZINC000819621759	943673233	/nfs/dbraw/zinc/67/32/33/943673233.db2.gz	MXPNLOAWTBPLBH-UHFFFAOYSA-N	1	0	355.482	1.587	20	30		FDEDRO
C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)Cc2cccc(OCC#N)c2)CC1	ZINC000820135152	943909551	/nfs/dbraw/zinc/90/95/51/943909551.db2.gz	ZHULHSWDKNHFMV-MRXNPFEDSA-N	1	0	357.454	1.843	20	30		FDEDRO
CCN1CCc2nc3ccccc3c(C(=O)N[C@@H]3CCN(O)C3=O)c2C1	ZINC000820149029	943914713	/nfs/dbraw/zinc/91/47/13/943914713.db2.gz	KWAZMFUAZUTFEM-MRXNPFEDSA-N	1	0	354.410	1.333	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ncccc3F)C2)C1=O	ZINC001086838418	944205773	/nfs/dbraw/zinc/20/57/73/944205773.db2.gz	CEYBQPBSVQJLCK-SQWLQELKSA-N	1	0	360.433	1.496	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C(N)=O)c[nH]3)C2)cc1	ZINC001086838924	944229909	/nfs/dbraw/zinc/22/99/09/944229909.db2.gz	BOFCVIUJTYIKQQ-DOTOQJQBSA-N	1	0	365.437	1.674	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1	ZINC000856354678	971090953	/nfs/dbraw/zinc/09/09/53/971090953.db2.gz	JFEVCVICMYQKPD-QBNCKDSPSA-N	1	0	368.437	1.294	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(c3cccnc3)CCCC2)C1	ZINC001195640201	971103216	/nfs/dbraw/zinc/10/32/16/971103216.db2.gz	BVASHVJDNZJFHI-QZTJIDSGSA-N	1	0	359.470	1.257	20	30		FDEDRO
C#CCN1C(=O)C[C@@H]([NH+]2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)C1=O	ZINC000821771894	944658367	/nfs/dbraw/zinc/65/83/67/944658367.db2.gz	SFRWWHLOQQDBAC-UKRRQHHQSA-N	1	0	363.458	1.372	20	30		FDEDRO
COc1cc(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)ccc1C#N	ZINC000822322790	944938064	/nfs/dbraw/zinc/93/80/64/944938064.db2.gz	RBYRRKWBRYJTRQ-UHFFFAOYSA-N	1	0	365.437	1.644	20	30		FDEDRO
COC(=O)c1ccc(C(=N)Nc2ccc3c([C@H]4CCC[NH2+]4)nnn3c2)cc1	ZINC001170985346	944950549	/nfs/dbraw/zinc/95/05/49/944950549.db2.gz	RACXSMLUNSBNGT-OAHLLOKOSA-N	1	0	364.409	1.977	20	30		FDEDRO
COC(=O)c1ccc(C(=N)Nc2ccc(O[C@@H]3CCC[NH2+]C3)nn2)cc1	ZINC001170988612	945033073	/nfs/dbraw/zinc/03/30/73/945033073.db2.gz	UIMCMUVHIJJQJZ-CQSZACIVSA-N	1	0	355.398	1.431	20	30		FDEDRO
COC(=O)c1nn(-c2ccccc2)cc1OC[C@@H](O)CN[C@@H](C)CC#N	ZINC001195659105	971143503	/nfs/dbraw/zinc/14/35/03/971143503.db2.gz	IZVNWDWOUYTZCG-ZFWWWQNUSA-N	1	0	358.398	1.290	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)s1	ZINC000823160956	945541424	/nfs/dbraw/zinc/54/14/24/945541424.db2.gz	MVEFOFIEAYQXDJ-TZMCWYRMSA-N	1	0	371.528	1.306	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)OCCO3)C[C@H]1O	ZINC001195732565	971160085	/nfs/dbraw/zinc/16/00/85/971160085.db2.gz	BPLPQLAGWKUPRL-IAGOWNOFSA-N	1	0	360.454	1.518	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1	ZINC000823311035	945627356	/nfs/dbraw/zinc/62/73/56/945627356.db2.gz	WRWQMUFWQVLIDR-KRWDZBQOSA-N	1	0	363.502	1.256	20	30		FDEDRO
C#CC[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2)C(=O)OC	ZINC000823518604	945825497	/nfs/dbraw/zinc/82/54/97/945825497.db2.gz	FMWSRVBFMXTDDU-LVCYWYKZSA-N	1	0	370.449	1.206	20	30		FDEDRO
C[C@@H]1CC2(C[N@@H+]1CC(=O)NCC#N)CCN(C(=O)OC(C)(C)C)CC2	ZINC000823642134	945881856	/nfs/dbraw/zinc/88/18/56/945881856.db2.gz	ANHTYNRFBKSVMZ-CQSZACIVSA-N	1	0	350.463	1.738	20	30		FDEDRO
C[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@H]1NC(=O)COCC[NH+](C)C	ZINC001090741448	946093738	/nfs/dbraw/zinc/09/37/38/946093738.db2.gz	GQJXPWUXRNHOFQ-IUODEOHRSA-N	1	0	365.865	1.126	20	30		FDEDRO
CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C)C(C)C	ZINC001090753219	946243119	/nfs/dbraw/zinc/24/31/19/946243119.db2.gz	OPQCDOSVVNORMX-IIDMSEBBSA-N	1	0	358.490	1.656	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCOC)C1	ZINC001111556735	946369198	/nfs/dbraw/zinc/36/91/98/946369198.db2.gz	SLGUZSDYBBYRGP-UWVAXJGDSA-N	1	0	365.518	1.807	20	30		FDEDRO
C#CCSCC[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000823861415	946493869	/nfs/dbraw/zinc/49/38/69/946493869.db2.gz	HQKGYHJDRHVFCT-UHFFFAOYSA-N	1	0	356.499	1.787	20	30		FDEDRO
CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(CC(=O)NCCC#N)C2)ccn1	ZINC000856599345	971245199	/nfs/dbraw/zinc/24/51/99/971245199.db2.gz	OPQSZQMEVCQMAS-GOSISDBHSA-N	1	0	359.474	1.405	20	30		FDEDRO
C#CCCCCCC(=O)N(C)CCN(C)c1cc[nH+]cc1-c1nn[nH]n1	ZINC001573283804	946727675	/nfs/dbraw/zinc/72/76/75/946727675.db2.gz	YLVVHFRLGOUKON-UHFFFAOYSA-N	1	0	355.446	1.740	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1	ZINC001573285339	946776216	/nfs/dbraw/zinc/77/62/16/946776216.db2.gz	GTBXTWDXHXPGRK-QWHCGFSZSA-N	1	0	374.470	1.047	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CCCCNc1[nH+]cc(C(=O)OC)c2c1ccn2C	ZINC001171067463	946800090	/nfs/dbraw/zinc/80/00/90/946800090.db2.gz	GAPRXJSUZTYZIL-HNNXBMFYSA-N	1	0	374.441	1.999	20	30		FDEDRO
COC(=O)C1(C#N)CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1	ZINC000824871694	946859084	/nfs/dbraw/zinc/85/90/84/946859084.db2.gz	JNDAUJJSWCFOQF-UHFFFAOYSA-N	1	0	356.470	1.717	20	30		FDEDRO
CCc1noc(C[C@@]2(O)CCC[N@H+](CCOc3ccc(C#N)cc3)C2)n1	ZINC000856669563	971294072	/nfs/dbraw/zinc/29/40/72/971294072.db2.gz	AHDAVJKJRPWQFD-IBGZPJMESA-N	1	0	356.426	1.952	20	30		FDEDRO
C=C(Br)C[NH2+][C@H](C)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573291667	946921598	/nfs/dbraw/zinc/92/15/98/946921598.db2.gz	HEOKTOGYNVTGPI-SECBINFHSA-N	1	0	368.239	1.154	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H](C)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573291668	946922493	/nfs/dbraw/zinc/92/24/93/946922493.db2.gz	HEOKTOGYNVTGPI-VIFPVBQESA-N	1	0	368.239	1.154	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(CCOC[C@@H]3CCCO3)C[C@H]2O)CC1	ZINC001195876889	971300998	/nfs/dbraw/zinc/30/09/98/971300998.db2.gz	TWKLLYZKNZRJLI-RCCFBDPRSA-N	1	0	352.475	1.090	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C(C)(C)C1	ZINC001573560382	946950801	/nfs/dbraw/zinc/95/08/01/946950801.db2.gz	BNAGVQBIIOMLPN-ABAIWWIYSA-N	1	0	371.420	1.492	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1	ZINC001573560604	946954042	/nfs/dbraw/zinc/95/40/42/946954042.db2.gz	DLACSQSOZIPIRC-CYBMUJFWSA-N	1	0	353.430	1.449	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573560716	946955970	/nfs/dbraw/zinc/95/59/70/946955970.db2.gz	FOFUQPQRXFJYAA-RISCZKNCSA-N	1	0	357.393	1.198	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C1	ZINC001573293732	946965787	/nfs/dbraw/zinc/96/57/87/946965787.db2.gz	ICZUYZAPVQEWHH-KKUMJFAQSA-N	1	0	369.473	1.991	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)CCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1	ZINC001573562121	946971158	/nfs/dbraw/zinc/97/11/58/946971158.db2.gz	QXEARAPWVCBTIS-GFCCVEGCSA-N	1	0	359.409	1.446	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573294099	946978175	/nfs/dbraw/zinc/97/81/75/946978175.db2.gz	UJZGSWWHZCZTHJ-XJKSGUPXSA-N	1	0	357.462	1.991	20	30		FDEDRO
C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1	ZINC001573294668	946994138	/nfs/dbraw/zinc/99/41/38/946994138.db2.gz	FWUXFOXHJUSRRL-UHFFFAOYSA-N	1	0	363.853	1.922	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1	ZINC001573566063	947021250	/nfs/dbraw/zinc/02/12/50/947021250.db2.gz	ZWOADKRWTAPNJA-NSHDSACASA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F	ZINC001573566485	947027237	/nfs/dbraw/zinc/02/72/37/947027237.db2.gz	CHLZPGQGRJJSCO-SMDDNHRTSA-N	1	0	357.393	1.246	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CCCCNc1ccc2nc([C@H]3CC[NH2+]C3)nn2c1	ZINC001171075328	947030692	/nfs/dbraw/zinc/03/06/92/947030692.db2.gz	VBHKIKOCPDPWQB-HOCLYGCPSA-N	1	0	372.473	1.445	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1	ZINC001573567589	947050023	/nfs/dbraw/zinc/05/00/23/947050023.db2.gz	PBLZMCQAOOEWIL-IFXJQAMLSA-N	1	0	365.441	1.451	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573568016	947061660	/nfs/dbraw/zinc/06/16/60/947061660.db2.gz	WMLJMNXXJBVCIM-CHWSQXEVSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@](C)(C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1	ZINC001573569740	947075656	/nfs/dbraw/zinc/07/56/56/947075656.db2.gz	FCEOEBZFKLRKMD-VOJFVSQTSA-N	1	0	371.420	1.540	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)CC[C@@H]2C1	ZINC001573570199	947084270	/nfs/dbraw/zinc/08/42/70/947084270.db2.gz	LXFLSSNHIIXNSL-FMKPAKJESA-N	1	0	365.441	1.307	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CC1	ZINC001573573096	947120205	/nfs/dbraw/zinc/12/02/05/947120205.db2.gz	MOSUZZZGMGFSTF-MEBBXXQBSA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@@H]([NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CC1	ZINC001573577193	947164544	/nfs/dbraw/zinc/16/45/44/947164544.db2.gz	NEBUQBVJJSGLNL-ZUZCIYMTSA-N	1	0	357.393	1.150	20	30		FDEDRO
C[NH+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H](Nc2ccncc2C#N)C1	ZINC001090853880	947167357	/nfs/dbraw/zinc/16/73/57/947167357.db2.gz	OJVKEXVWGZCDRD-AZUAARDMSA-N	1	0	363.465	1.733	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CC1	ZINC001573577553	947170424	/nfs/dbraw/zinc/17/04/24/947170424.db2.gz	RCNRZDLGBSMSBS-ZUZCIYMTSA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCCC1(C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1	ZINC001573583818	947211315	/nfs/dbraw/zinc/21/13/15/947211315.db2.gz	PJBBMZNAJHTYIY-LBPRGKRZSA-N	1	0	371.420	1.542	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1C	ZINC001573584423	947220454	/nfs/dbraw/zinc/22/04/54/947220454.db2.gz	VRORBCOHUWEVIU-GZBFAFLISA-N	1	0	353.430	1.210	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573310680	947225840	/nfs/dbraw/zinc/22/58/40/947225840.db2.gz	ZEKVQQLEUOCBTM-HNAYVOBHSA-N	1	0	370.457	1.227	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1	ZINC001573585074	947244224	/nfs/dbraw/zinc/24/42/24/947244224.db2.gz	KCMHOXVHHZHJJL-IUIKQTSFSA-N	1	0	371.420	1.682	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)[C@@H]1C	ZINC001573585701	947265640	/nfs/dbraw/zinc/26/56/40/947265640.db2.gz	VDOXKBWZYNYIRF-RWSFTLGLSA-N	1	0	357.393	1.244	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2nnc(C)o2)C[C@H]1c1ccc(OC)cc1	ZINC001090870978	947418062	/nfs/dbraw/zinc/41/80/62/947418062.db2.gz	IPCSXVWINDLYLW-DLBZAZTESA-N	1	0	354.410	1.147	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2nnc(C)o2)C[C@H]1c1ccc(OC)cc1	ZINC001090871288	947429698	/nfs/dbraw/zinc/42/96/98/947429698.db2.gz	MLIUIGXAZCDZJQ-DLBZAZTESA-N	1	0	356.426	1.699	20	30		FDEDRO
C=CCCC(=O)N1CC[C@H](CCNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1	ZINC001573330195	947432192	/nfs/dbraw/zinc/43/21/92/947432192.db2.gz	VIGDNLGGGPNIJS-AWEZNQCLSA-N	1	0	355.446	1.609	20	30		FDEDRO
C=CCCCC(=O)NC[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1	ZINC001573335104	947471426	/nfs/dbraw/zinc/47/14/26/947471426.db2.gz	LNLGHLXLJMYRDE-AWEZNQCLSA-N	1	0	355.446	1.869	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090874785	947483079	/nfs/dbraw/zinc/48/30/79/947483079.db2.gz	RBHXYRBCAWKCRB-NZSAHSFTSA-N	1	0	369.465	1.081	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)CCC3)C[C@H]1c1ccc(OC)cc1	ZINC001090872801	947505020	/nfs/dbraw/zinc/50/50/20/947505020.db2.gz	QYKZOUBJXKFSLP-ZWKOTPCHSA-N	1	0	364.449	1.669	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H]([NH2+][C@H]2CCNC2=O)C1	ZINC001090877664	947541266	/nfs/dbraw/zinc/54/12/66/947541266.db2.gz	YRVVHXMLEFQCOS-OKZBNKHCSA-N	1	0	371.481	1.680	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCNC(=O)CC2)C[C@H]1c1ccc(OC)cc1	ZINC001090875807	947550618	/nfs/dbraw/zinc/55/06/18/947550618.db2.gz	HUSHYJBVQSOMHL-YTQUADARSA-N	1	0	371.481	1.682	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3ccc(OC)cc3)[C@H]([NH2+]CCO)C2)cc1	ZINC001090876782	947561475	/nfs/dbraw/zinc/56/14/75/947561475.db2.gz	ACVIQRRDGZHELH-LEWJYISDSA-N	1	0	364.445	1.867	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2OC)C[C@H]1c1ccc(OC)cc1	ZINC001090876812	947562811	/nfs/dbraw/zinc/56/28/11/947562811.db2.gz	BNQJOHRVOLGLJD-FUHWJXTLSA-N	1	0	368.437	1.268	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1CC	ZINC001573348069	947578421	/nfs/dbraw/zinc/57/84/21/947578421.db2.gz	MDLCYQGUSZLWIT-UKRRQHHQSA-N	1	0	373.461	1.228	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(-c2nn[nH]n2)s1	ZINC001573350369	947597542	/nfs/dbraw/zinc/59/75/42/947597542.db2.gz	ASAXNIWSFRXSHZ-TYHIMRJMSA-N	1	0	374.470	1.281	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H]([NH2+]CCO)C1	ZINC001090881683	947604052	/nfs/dbraw/zinc/60/40/52/947604052.db2.gz	MKJCJOCYKACUSL-HCXYKTFWSA-N	1	0	360.454	1.163	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@H]1c1ccc(OC)cc1	ZINC001090878957	947617972	/nfs/dbraw/zinc/61/79/72/947617972.db2.gz	CEUDEJUOXFNLBC-RBUKOAKNSA-N	1	0	370.453	1.578	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(COC)on2)C[C@H]1c1ccc(OC)cc1	ZINC001090882580	947619699	/nfs/dbraw/zinc/61/96/99/947619699.db2.gz	JYHBQTDMXFBBKU-PKOBYXMFSA-N	1	0	369.421	1.661	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090884758	947648689	/nfs/dbraw/zinc/64/86/89/947648689.db2.gz	IYBITDNEWXYSNH-ZYSHUDEJSA-N	1	0	369.465	1.081	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090884809	947650000	/nfs/dbraw/zinc/65/00/00/947650000.db2.gz	MEEILPFBZOSEKU-ZYSHUDEJSA-N	1	0	371.481	1.634	20	30		FDEDRO
C[N@H+](C[C@@H](O)c1cccc(C#N)c1)C[C@H]1CCCN(S(C)(=O)=O)C1	ZINC000844368395	948019170	/nfs/dbraw/zinc/01/91/70/948019170.db2.gz	DULHLYMPDODQIV-NVXWUHKLSA-N	1	0	351.472	1.195	20	30		FDEDRO
CO[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C	ZINC001090945088	948069466	/nfs/dbraw/zinc/06/94/66/948069466.db2.gz	LWJBOMZNJJRELY-IAGOWNOFSA-N	1	0	359.474	1.251	20	30		FDEDRO
C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@H+](Cc1cncc(C#N)c1)C2	ZINC001144074815	948187263	/nfs/dbraw/zinc/18/72/63/948187263.db2.gz	FRTURLWFCSCYLK-FQEVSTJZSA-N	1	0	353.470	1.636	20	30		FDEDRO
N#Cc1cncc(C[N@H+]2CC[C@H]3OCC[C@@]3(C(=O)Nc3cccnc3)C2)c1	ZINC001144075947	948190090	/nfs/dbraw/zinc/19/00/90/948190090.db2.gz	WSPIVMGTIHJIEU-UYAOXDASSA-N	1	0	363.421	1.968	20	30		FDEDRO
CC[NH+](CC)[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(C#N)n2)C1)C(C)C	ZINC001090993825	948282344	/nfs/dbraw/zinc/28/23/44/948282344.db2.gz	UWHRHOMLGPNGHL-RKVPGOIHSA-N	1	0	358.490	1.395	20	30		FDEDRO
N#Cc1ccc(CN2CCCn3c(=O)cc(C[NH+]4CCCC4)nc3C2)nc1	ZINC001144160857	948305647	/nfs/dbraw/zinc/30/56/47/948305647.db2.gz	VKXUZMURFDMBTL-UHFFFAOYSA-N	1	0	364.453	1.512	20	30		FDEDRO
CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NC1CCN(CC[NH+](C)C)CC1	ZINC000844873931	948494887	/nfs/dbraw/zinc/49/48/87/948494887.db2.gz	VTCMXFPBSOCFQV-LJQANCHMSA-N	1	0	373.501	1.259	20	30		FDEDRO
C[C@H](COCC(=O)N1C[C@@H](C)[C@H](Nc2ccc(C#N)nc2)C1)[NH+]1CCCC1	ZINC001091024406	948517185	/nfs/dbraw/zinc/51/71/85/948517185.db2.gz	KXJDFJBCHVMONM-GPMSIDNRSA-N	1	0	371.485	1.713	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1CCO[C@@H]2CN(c3ccc(C#N)c(C)n3)C[C@@H]21	ZINC001091048988	948648229	/nfs/dbraw/zinc/64/82/29/948648229.db2.gz	BNMYBXCQFOJNJE-DLBZAZTESA-N	1	0	357.458	1.020	20	30		FDEDRO
Cc1cc(N2C[C@H]3OCCN(C(=O)CCC[NH+](C)C)[C@H]3C2)c(C#N)cn1	ZINC001091058278	948766724	/nfs/dbraw/zinc/76/67/24/948766724.db2.gz	IZGIIZSGFYRTOJ-ZWKOTPCHSA-N	1	0	357.458	1.020	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2ccccc2F)C1	ZINC001196160287	971513304	/nfs/dbraw/zinc/51/33/04/971513304.db2.gz	FVWBMGBUEDFZBZ-BMGDILEWSA-N	1	0	350.434	1.368	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@@H]1O	ZINC001091133195	949534720	/nfs/dbraw/zinc/53/47/20/949534720.db2.gz	ONDNKOMNCBEKSS-MNOVXSKESA-N	1	0	371.894	1.066	20	30		FDEDRO
CCCCCC[N@H+](C)CC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O	ZINC001091129710	949578221	/nfs/dbraw/zinc/57/82/21/949578221.db2.gz	BPTDJKZVCZNOEJ-MSOLQXFVSA-N	1	0	359.474	1.131	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCCOc2ccccc2)C[C@H]1O	ZINC001196276101	971601427	/nfs/dbraw/zinc/60/14/27/971601427.db2.gz	KWNRHJQRGDOPSQ-WTGUMLROSA-N	1	0	374.481	1.598	20	30		FDEDRO
C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O	ZINC001091159396	949855668	/nfs/dbraw/zinc/85/56/68/949855668.db2.gz	FYZIQIXEXYRHFP-MSOLQXFVSA-N	1	0	371.485	1.272	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(c2snc(Cl)c2C#N)C[C@@H]1O	ZINC001091160647	949873638	/nfs/dbraw/zinc/87/36/38/949873638.db2.gz	GTWCGYJGGLOELY-MNOVXSKESA-N	1	0	371.894	1.064	20	30		FDEDRO
C#C[C@H]1COCCN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000845748318	949884673	/nfs/dbraw/zinc/88/46/73/949884673.db2.gz	ZJRPENJFSAPAJD-IBGZPJMESA-N	1	0	352.438	1.566	20	30		FDEDRO
C#Cc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C(=O)N4CCCCO4)[C@@H]3C2)cc1	ZINC001144569290	949946410	/nfs/dbraw/zinc/94/64/10/949946410.db2.gz	NJDLXMOXFZQOEV-AQNXPRMDSA-N	1	0	354.450	1.916	20	30		FDEDRO
C[C@H](CN(C)C(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1	ZINC001574738002	950162971	/nfs/dbraw/zinc/16/29/71/950162971.db2.gz	AULBRJJZOIHNNA-GFCCVEGCSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001574982813	950182101	/nfs/dbraw/zinc/18/21/01/950182101.db2.gz	HKTRVRFEOWIWNP-JTQLQIEISA-N	1	0	368.376	1.114	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1	ZINC000857234173	971663803	/nfs/dbraw/zinc/66/38/03/971663803.db2.gz	NEZUSARFYWLMSU-GFCCVEGCSA-N	1	0	371.425	1.438	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCCO[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1	ZINC000857235873	971664642	/nfs/dbraw/zinc/66/46/42/971664642.db2.gz	BLRRKOREVVRFLD-GJZGRUSLSA-N	1	0	355.479	1.903	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)NCc2cccc(O[C@@H](C#N)CC)c2)C[C@H]1C[NH3+]	ZINC000846148423	950561871	/nfs/dbraw/zinc/56/18/71/950561871.db2.gz	ZHGCOHNIQPLCPC-JFIYKMOQSA-N	1	0	360.458	1.873	20	30		FDEDRO
N#Cc1ncccc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1	ZINC000846234173	950757872	/nfs/dbraw/zinc/75/78/72/950757872.db2.gz	BJDXHJAYHVPUOA-BPLDGKMQSA-N	1	0	350.444	1.003	20	30		FDEDRO
CCCN(CCC[NH+](C)C)C(=O)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1	ZINC000846272691	950834058	/nfs/dbraw/zinc/83/40/58/950834058.db2.gz	RJEJFKMMRKOMSS-SFHVURJKSA-N	1	0	374.485	1.240	20	30		FDEDRO
C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC(N2CCS(=O)(=O)CC2)CC1	ZINC001171222986	950974766	/nfs/dbraw/zinc/97/47/66/950974766.db2.gz	KYXUAYPSKGOEQT-MRXNPFEDSA-N	1	0	361.511	1.684	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N1CC[C@H]2CCN(c3ccc(C#N)nn3)[C@H]2C1	ZINC001091216442	951000104	/nfs/dbraw/zinc/00/01/04/951000104.db2.gz	KNFLUGVGSJOGBS-RDJZCZTQSA-N	1	0	356.474	1.507	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC([NH2+]Cc2nnc(C)n2CCC)C1	ZINC001091238600	951126568	/nfs/dbraw/zinc/12/65/68/951126568.db2.gz	ATLRAVPKHQRKDN-BACDZXNISA-N	1	0	361.490	1.572	20	30		FDEDRO
C=C(Cl)C[NH+]1CCC2(CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)CC1	ZINC001571004635	951152777	/nfs/dbraw/zinc/15/27/77/951152777.db2.gz	OMYJRSDIAHHBCL-UHFFFAOYSA-N	1	0	361.837	1.485	20	30		FDEDRO
C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1Nc1ncc(C#N)cc1F	ZINC001091269479	951255646	/nfs/dbraw/zinc/25/56/46/951255646.db2.gz	YQOWMLIERSFKTE-HZPDHXFCSA-N	1	0	363.437	1.510	20	30		FDEDRO
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1	ZINC000846730528	951501424	/nfs/dbraw/zinc/50/14/24/951501424.db2.gz	IEGFZKWLXASMOH-BZSNNMDCSA-N	1	0	372.469	1.039	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@H]3OCC[C@H]3C)c2)C1	ZINC001091404969	951599302	/nfs/dbraw/zinc/59/93/02/951599302.db2.gz	QDSKKJXWAYZTQU-MNEFBYGVSA-N	1	0	357.454	1.599	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)c2)C1	ZINC001091405496	951601083	/nfs/dbraw/zinc/60/10/83/951601083.db2.gz	ACZZMWZJBPKBHI-LULLPPNCSA-N	1	0	355.438	1.352	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+](C)C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1=O	ZINC000846892890	951682305	/nfs/dbraw/zinc/68/23/05/951682305.db2.gz	XSVJZUTWMOSVTP-RDTXWAMCSA-N	1	0	353.463	1.077	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CC1	ZINC001196557748	971774240	/nfs/dbraw/zinc/77/42/40/971774240.db2.gz	PTQSIKYHMYWMIL-BBWFWOEESA-N	1	0	351.491	1.689	20	30		FDEDRO
C[C@]12CN(C(=O)CN3CCCC3=O)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001091468810	951849860	/nfs/dbraw/zinc/84/98/60/951849860.db2.gz	TWSLAFNTHNFZOJ-NQIIRXRSSA-N	1	0	366.465	1.461	20	30		FDEDRO
C[C@]12CN(C(=O)c3cnsn3)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001091511822	951908042	/nfs/dbraw/zinc/90/80/42/951908042.db2.gz	LORIWULOFQJOQG-APWZRJJASA-N	1	0	352.463	1.984	20	30		FDEDRO
C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@H]1C[NH+](C)C	ZINC001146223342	952002949	/nfs/dbraw/zinc/00/29/49/952002949.db2.gz	VSERZHCCVMWUSH-HBUWYVDXSA-N	1	0	353.463	1.245	20	30		FDEDRO
C[C@]12CN(C(=O)CC(N)=O)C[C@H]1C[N@H+](CC#Cc1ccc(Cl)cc1)C2	ZINC001091553922	952039637	/nfs/dbraw/zinc/03/96/37/952039637.db2.gz	XKMHJNJUPQPIAN-BEFAXECRSA-N	1	0	359.857	1.347	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)NC[C@H]1CC[C@@H](Nc2ccc(C#N)nn2)C1	ZINC001091609828	952277806	/nfs/dbraw/zinc/27/78/06/952277806.db2.gz	YLZUMGNUOSFBRY-LZWOXQAQSA-N	1	0	362.453	1.725	20	30		FDEDRO
C[C@H](C(=O)N1C[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@]2(C)C1)n1cncn1	ZINC001091610156	952278477	/nfs/dbraw/zinc/27/84/77/952278477.db2.gz	FSCHTCNZBSWPSF-ZTNFWEORSA-N	1	0	364.453	1.691	20	30		FDEDRO
Cc1cc(CN2C[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@]3(C)C2)nn1C	ZINC001091612936	952287421	/nfs/dbraw/zinc/28/74/21/952287421.db2.gz	IYBIXIVPRZGOSF-BEFAXECRSA-N	1	0	352.442	1.522	20	30		FDEDRO
C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CC[N@@H+](CCOC)C3)[nH]n2)c1C	ZINC001147026148	952291340	/nfs/dbraw/zinc/29/13/40/952291340.db2.gz	FUXPVWMYARIMEF-HNNXBMFYSA-N	1	0	372.473	1.527	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ccnn4CC)C[C@]3(C)C2)C1=O	ZINC001091621987	952341989	/nfs/dbraw/zinc/34/19/89/952341989.db2.gz	NENGRXYMLPFBCQ-GUXCAODWSA-N	1	0	371.485	1.084	20	30		FDEDRO
CC(C)(C(=O)NC[C@H]1CC[C@@H](Nc2ccc(C#N)nn2)C1)[NH+]1CCCC1	ZINC001091622959	952345251	/nfs/dbraw/zinc/34/52/51/952345251.db2.gz	ZSDBMLLPXPLITP-LSDHHAIUSA-N	1	0	356.474	1.919	20	30		FDEDRO
CCn1nncc1C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@]2(C)C1	ZINC001091651937	952502636	/nfs/dbraw/zinc/50/26/36/952502636.db2.gz	XFFJHEDFCFOFOD-XLIONFOSSA-N	1	0	364.453	1.764	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@@]3(C)C2)[nH]1	ZINC001091661847	952526409	/nfs/dbraw/zinc/52/64/09/952526409.db2.gz	PTRVCJGRJZOYBM-XLIONFOSSA-N	1	0	364.453	1.508	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)C[C@]2(C)C1	ZINC001091667908	952565005	/nfs/dbraw/zinc/56/50/05/952565005.db2.gz	BJFYIZCZMKBEAT-CLCXKQKWSA-N	1	0	357.458	1.119	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)C[C@]2(C)C1	ZINC001091667909	952565314	/nfs/dbraw/zinc/56/53/14/952565314.db2.gz	BJFYIZCZMKBEAT-KHYOSLBOSA-N	1	0	357.458	1.119	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)C2)C1	ZINC001147959035	952586814	/nfs/dbraw/zinc/58/68/14/952586814.db2.gz	JWUWFLYYNNOGDN-XLAORIBOSA-N	1	0	357.498	1.485	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CNc1ccc(C#N)cn1	ZINC001091672654	952589243	/nfs/dbraw/zinc/58/92/43/952589243.db2.gz	RGTBCSAUXFWKPR-IAGOWNOFSA-N	1	0	371.485	1.570	20	30		FDEDRO
C=CCn1nc(C)c(-c2cc(C(=O)N3CC[C@@H]([NH+]4CCC4)C3)[nH]n2)c1C	ZINC001148307097	952678771	/nfs/dbraw/zinc/67/87/71/952678771.db2.gz	IPISXRCTTCWIEK-OAHLLOKOSA-N	1	0	354.458	1.996	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1	ZINC001148373745	952717185	/nfs/dbraw/zinc/71/71/85/952717185.db2.gz	GTOPTBBNFSJWLQ-LBPRGKRZSA-N	1	0	357.863	1.368	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cn(-c4cccnc4)nn3)C[C@]2(C)C1	ZINC001091722076	952726704	/nfs/dbraw/zinc/72/67/04/952726704.db2.gz	WIUQTCQBXOPGNI-BEFAXECRSA-N	1	0	350.426	1.080	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCCS3(=O)=O)C[C@]2(C)C1	ZINC001091732100	952753441	/nfs/dbraw/zinc/75/34/41/952753441.db2.gz	DCWFPJCJOLIRMT-NUJGCVRESA-N	1	0	354.516	1.700	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CNC(=O)c4ccccc43)C[C@]2(C)C1	ZINC001091746318	952785960	/nfs/dbraw/zinc/78/59/60/952785960.db2.gz	FJQBFKDZXDXIHW-YWMUFLPLSA-N	1	0	353.466	1.870	20	30		FDEDRO
CC(C)(C(N)=O)C(=O)N1C[C@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@@]2(C)C1	ZINC001091757661	952807864	/nfs/dbraw/zinc/80/78/64/952807864.db2.gz	RAKPRYPVQSWPLT-IERDGZPVSA-N	1	0	371.456	1.469	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN3c3ncccn3)C[C@]2(C)C1	ZINC001091754912	952817375	/nfs/dbraw/zinc/81/73/75/952817375.db2.gz	AEPRLCGTAVDABA-HLIPFELVSA-N	1	0	353.470	1.249	20	30		FDEDRO
C=CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000282738016	952852185	/nfs/dbraw/zinc/85/21/85/952852185.db2.gz	XSCFVOXIDRFRRX-QGZVFWFLSA-N	1	0	368.485	1.993	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NC[C@H]1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1	ZINC001086849581	952855842	/nfs/dbraw/zinc/85/58/42/952855842.db2.gz	QOMGTTRKXOYUDT-ZNMIVQPWSA-N	1	0	358.442	1.023	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C	ZINC000282783651	952860053	/nfs/dbraw/zinc/86/00/53/952860053.db2.gz	OZGHFGPJQKOXDP-QGZVFWFLSA-N	1	0	358.486	1.889	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H](C)c3nnc(C)[nH]3)C2)cn1	ZINC001086857451	952875362	/nfs/dbraw/zinc/87/53/62/952875362.db2.gz	DWCBQGOZDQZCTC-HACGYAERSA-N	1	0	352.442	1.739	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3CCC)C2)nc1	ZINC001086856182	952902459	/nfs/dbraw/zinc/90/24/59/952902459.db2.gz	MRRGZXXNQNDRPM-DLBZAZTESA-N	1	0	366.469	1.753	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccnc(OC)n3)C2)nc1	ZINC001086856405	952902971	/nfs/dbraw/zinc/90/29/71/952902971.db2.gz	YCEFLDFLKGVPHM-JKSUJKDBSA-N	1	0	365.437	1.550	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H]3CCN(CC)C3=O)C2)nc1	ZINC001086857016	952903886	/nfs/dbraw/zinc/90/38/86/952903886.db2.gz	GHMIGVGTXXFUQT-LZLYRXPVSA-N	1	0	354.454	1.172	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C[C@H]1C)CC[NH+](CC(=O)N(C)C)CC2	ZINC001086943898	952945922	/nfs/dbraw/zinc/94/59/22/952945922.db2.gz	IHBCNFUFUFERPV-ZACQAIPSSA-N	1	0	363.502	1.369	20	30		FDEDRO
C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)CC1	ZINC001086934389	952947612	/nfs/dbraw/zinc/94/76/12/952947612.db2.gz	OGYUAPKGEXFKMV-YDZRNGNQSA-N	1	0	360.498	1.764	20	30		FDEDRO
CCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC001086960468	952957491	/nfs/dbraw/zinc/95/74/91/952957491.db2.gz	VEZWTPVDBZMMSP-FUHWJXTLSA-N	1	0	355.417	1.925	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)c(F)c2)C[C@H]1c1cnn(C)c1	ZINC001086982928	952996100	/nfs/dbraw/zinc/99/61/00/952996100.db2.gz	MDKNWGSKSIQZIH-DOTOQJQBSA-N	1	0	356.401	1.399	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(F)c(C)cc2F)C[C@H]1c1cnn(C)c1	ZINC001086983471	952997257	/nfs/dbraw/zinc/99/72/57/952997257.db2.gz	RGOOXAGSWIEEGQ-MAUKXSAKSA-N	1	0	358.392	1.838	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2cnc(C)c2)C[C@H]1c1cnn(C)c1	ZINC001086983796	952997986	/nfs/dbraw/zinc/99/79/86/952997986.db2.gz	IQOPHZPBZQSMPO-DLBZAZTESA-N	1	0	356.474	1.430	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3ccnc3C2)C[C@H]1c1cnn(C)c1	ZINC001086984905	952999884	/nfs/dbraw/zinc/99/98/84/952999884.db2.gz	JNQZOLYUHQUPHZ-RYQLBKOJSA-N	1	0	368.485	1.339	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3cncn3C2)C[C@H]1c1cnn(C)c1	ZINC001086985012	953000674	/nfs/dbraw/zinc/00/06/74/953000674.db2.gz	PCURGHFSUUPGEV-ZYSHUDEJSA-N	1	0	368.485	1.339	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ncnc3[nH]ccc32)C[C@H]1c1cnn(C)c1	ZINC001086986148	953005452	/nfs/dbraw/zinc/00/54/52/953005452.db2.gz	YYHAQBCVCQSHPJ-JKSUJKDBSA-N	1	0	365.441	1.417	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2noc3ccccc23)C[C@H]1c1cnn(C)c1	ZINC001086986343	953006055	/nfs/dbraw/zinc/00/60/55/953006055.db2.gz	KDRXPEXMPBTIDP-FUHWJXTLSA-N	1	0	365.437	1.874	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccc(COC)c2)C[C@H]1c1cnn(C)c1	ZINC001086986412	953006363	/nfs/dbraw/zinc/00/63/63/953006363.db2.gz	NZXVFZHGPXWPHS-RBUKOAKNSA-N	1	0	354.454	1.950	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(OC)c(F)c2)C[C@H]1c1cnn(C)c1	ZINC001086986578	953006789	/nfs/dbraw/zinc/00/67/89/953006789.db2.gz	WQEOGMUPWUZPFD-FUHWJXTLSA-N	1	0	370.428	1.328	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCc2cncc(C)c2)C[C@H]1c1cnn(C)c1	ZINC001086986912	953007981	/nfs/dbraw/zinc/00/79/81/953007981.db2.gz	PMNVNFSXCDPPAS-RBUKOAKNSA-N	1	0	353.470	1.826	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnc3cnccc3c2)C[C@H]1c1cnn(C)c1	ZINC001086987787	953011027	/nfs/dbraw/zinc/01/10/27/953011027.db2.gz	NIHLECBJAFMDDY-PKOBYXMFSA-N	1	0	362.437	1.747	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(C)onc2C2CC2)C[C@H]1c1cnn(C)c1	ZINC001086988220	953011930	/nfs/dbraw/zinc/01/19/30/953011930.db2.gz	KQWBRKMQIQOHSX-JKSUJKDBSA-N	1	0	353.426	1.425	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2c(C)nn(C)c2C)C[C@H]1c1cnn(C)c1	ZINC001086990316	953017322	/nfs/dbraw/zinc/01/73/22/953017322.db2.gz	WKCBWGTXAJYZTR-ZWKOTPCHSA-N	1	0	356.474	1.083	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccnn2C)C1	ZINC001086990628	953018393	/nfs/dbraw/zinc/01/83/93/953018393.db2.gz	MUOLYSMHWVCIKP-ZWKOTPCHSA-N	1	0	370.501	1.840	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cnc(C)cn2)C1	ZINC001086990605	953018560	/nfs/dbraw/zinc/01/85/60/953018560.db2.gz	MAFMLNNNODSQFE-ZWKOTPCHSA-N	1	0	368.485	1.815	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3cccnc32)C[C@H]1c1cnn(C)c1	ZINC001086992997	953025673	/nfs/dbraw/zinc/02/56/73/953025673.db2.gz	AYCCSCMVZIUWCU-CEXWTWQISA-N	1	0	363.465	1.452	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(F)cc(F)cc2F)C[C@H]1c1cnn(C)c1	ZINC001086994275	953028480	/nfs/dbraw/zinc/02/84/80/953028480.db2.gz	RPWKROACCQUXIL-XJKSGUPXSA-N	1	0	362.355	1.668	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1O	ZINC001196691585	971890307	/nfs/dbraw/zinc/89/03/07/971890307.db2.gz	HNVXBJUTLSKDTD-KZNAEPCWSA-N	1	0	351.491	1.199	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2c(F)cncc2F)C[C@H]1c1cnn(C)c1	ZINC001086981199	953031927	/nfs/dbraw/zinc/03/19/27/953031927.db2.gz	VJRQHALQRLOIMI-XJKSGUPXSA-N	1	0	361.396	1.867	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3ncn(C)c3n2)C[C@H]1c1cnn(C)c1	ZINC001086996684	953038494	/nfs/dbraw/zinc/03/84/94/953038494.db2.gz	QAJMSVKHVOAFSG-WMLDXEAASA-N	1	0	365.441	1.086	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(F)c(OC)c2)C[C@H]1c1cnn(C)c1	ZINC001086998397	953042484	/nfs/dbraw/zinc/04/24/84/953042484.db2.gz	ISHCGZGQXYYENV-DOTOQJQBSA-N	1	0	358.417	1.952	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2scnc2COC)C[C@H]1c1cnn(C)c1	ZINC001087000775	953052135	/nfs/dbraw/zinc/05/21/35/953052135.db2.gz	NFFDLISGPFSUOH-UONOGXRCSA-N	1	0	361.471	1.407	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCF)C2)cc1	ZINC001087000917	953052753	/nfs/dbraw/zinc/05/27/53/953052753.db2.gz	VKLLNWRBIDCRJN-RBUKOAKNSA-N	1	0	370.428	1.599	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)nc2OC)C[C@H]1c1cnn(C)c1	ZINC001087000956	953053140	/nfs/dbraw/zinc/05/31/40/953053140.db2.gz	WTUUPTNVIHMLRY-DLBZAZTESA-N	1	0	355.442	1.516	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2coc(CC3CC3)n2)C[C@H]1c1cnn(C)c1	ZINC001087004267	953061795	/nfs/dbraw/zinc/06/17/95/953061795.db2.gz	OICMBLSEDYYAJI-JKSUJKDBSA-N	1	0	355.442	1.744	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3cccnc3C2)C[C@H]1c1cnn(C)c1	ZINC001087007496	953092876	/nfs/dbraw/zinc/09/28/76/953092876.db2.gz	GUWPQCXBCRTHES-XKGZKEIXSA-N	1	0	365.481	1.690	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(NC(N)=O)cc2)C[C@H]1c1cnn(C)c1	ZINC001087008007	953094355	/nfs/dbraw/zinc/09/43/55/953094355.db2.gz	ICENUQWUXQLZTL-DLBZAZTESA-N	1	0	368.441	1.295	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2c(C)noc2C)C[C@H]1c1cnn(C)c1	ZINC001087009246	953098118	/nfs/dbraw/zinc/09/81/18/953098118.db2.gz	XIYBRWICIWLZJM-ZWKOTPCHSA-N	1	0	355.442	1.175	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccc3nnn(C)c32)C[C@H]1c1cnn(C)c1	ZINC001087012122	953105751	/nfs/dbraw/zinc/10/57/51/953105751.db2.gz	GPKDLVZYZDMAQD-DOTOQJQBSA-N	1	0	365.441	1.086	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H]2CCCOC2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087033569	953135035	/nfs/dbraw/zinc/13/50/35/953135035.db2.gz	VYXSQPYMIVHXLH-VAMGGRTRSA-N	1	0	371.481	1.938	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087033685	953135579	/nfs/dbraw/zinc/13/55/79/953135579.db2.gz	ZVBMGJSJLBJYEN-IPMKNSEASA-N	1	0	357.454	1.548	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1nc(C)sc1C	ZINC001087035524	953144972	/nfs/dbraw/zinc/14/49/72/953144972.db2.gz	CVWYEZYLWONNCA-SGIREYDYSA-N	1	0	350.488	1.873	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1nccnc1C	ZINC001087039982	953156307	/nfs/dbraw/zinc/15/63/07/953156307.db2.gz	MIOLXRGNHNEYQR-CRAIPNDOSA-N	1	0	368.441	1.252	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1c(C)noc1C	ZINC001087040136	953156887	/nfs/dbraw/zinc/15/68/87/953156887.db2.gz	SYMFRCYSUBRBHI-CRAIPNDOSA-N	1	0	371.441	1.758	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001087049041	953173343	/nfs/dbraw/zinc/17/33/43/953173343.db2.gz	MHZUENBDJWHHJM-CZUORRHYSA-N	1	0	365.499	1.734	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H]2CCNC2=O)[C@H](OCC)C1	ZINC001087057594	953192259	/nfs/dbraw/zinc/19/22/59/953192259.db2.gz	LFSQNUQJPODZKV-MGPQQGTHSA-N	1	0	357.882	1.107	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2cnn(C)n2)[C@H](OCC)C1	ZINC001087057615	953192619	/nfs/dbraw/zinc/19/26/19/953192619.db2.gz	LZKAQBUZKFIWMA-UKRRQHHQSA-N	1	0	369.897	1.547	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]C[C@H]1CCCOC1	ZINC001087046197	953193341	/nfs/dbraw/zinc/19/33/41/953193341.db2.gz	PRULHDJKEVWXBS-IIDMSEBBSA-N	1	0	360.458	1.380	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cncnc2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087047720	953197225	/nfs/dbraw/zinc/19/72/25/953197225.db2.gz	ZIQBADGTXGPJDW-RTBURBONSA-N	1	0	365.437	1.615	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]Cc2cncn2C)[C@H](OCC)C1	ZINC001087059383	953201617	/nfs/dbraw/zinc/20/16/17/953201617.db2.gz	CELXFCKNNHHPTB-VQIMIIECSA-N	1	0	371.485	1.675	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]nc2C)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087071075	953224804	/nfs/dbraw/zinc/22/48/04/953224804.db2.gz	YRDXRXIMDSPIHJ-IEBWSBKVSA-N	1	0	367.453	1.857	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cncn3C)[C@H](OCC)C2)cc1	ZINC001087071205	953224919	/nfs/dbraw/zinc/22/49/19/953224919.db2.gz	BYXIDLVXNKQSMD-UYAOXDASSA-N	1	0	366.465	1.668	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CC)[C@H](OCC)C1	ZINC001087071569	953225907	/nfs/dbraw/zinc/22/59/07/953225907.db2.gz	WDWDOIQYVFHSHO-HZPDHXFCSA-N	1	0	363.506	1.853	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2cc3n(n2)CCC3)[C@H](OCC)C1	ZINC001087072200	953226829	/nfs/dbraw/zinc/22/68/29/953226829.db2.gz	WPTREMRFPOMVML-CRAIPNDOSA-N	1	0	360.502	1.995	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nocc2C)[C@H](OCC)C1	ZINC001087085589	953246797	/nfs/dbraw/zinc/24/67/97/953246797.db2.gz	MQXRMRBWFWNJAD-XYVMCAHJSA-N	1	0	363.458	1.527	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cc(C)on3)[C@H](OCC)C2)cn1	ZINC001087097214	953283967	/nfs/dbraw/zinc/28/39/67/953283967.db2.gz	BUHWODYQUNYUNT-VQIMIIECSA-N	1	0	368.437	1.626	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ccccn3)[C@H](OCC)C2)cn1	ZINC001087097530	953284812	/nfs/dbraw/zinc/28/48/12/953284812.db2.gz	VJRPPOFZJCWQJQ-YLJYHZDGSA-N	1	0	364.449	1.725	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cn(CC(F)F)nc3C)C[C@]2(C)C1	ZINC001091764859	953287536	/nfs/dbraw/zinc/28/75/36/953287536.db2.gz	OHOFWBYICXJSSQ-KDOFPFPSSA-N	1	0	350.413	1.874	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)CCN1c1cncc(C#N)n1	ZINC001091806584	953336984	/nfs/dbraw/zinc/33/69/84/953336984.db2.gz	UXXKXKNWKVLGRT-HRCADAONSA-N	1	0	362.453	1.502	20	30		FDEDRO
Cc1n[nH]nc1C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@@]2(C)C1	ZINC001091906093	953676527	/nfs/dbraw/zinc/67/65/27/953676527.db2.gz	CVVCWFCNJUEHKD-APWZRJJASA-N	1	0	350.426	1.579	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@H]2C[N@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@@]2(C)C1	ZINC001091917073	953708321	/nfs/dbraw/zinc/70/83/21/953708321.db2.gz	RZLLAQOZYPMLTJ-FCEWJHQRSA-N	1	0	368.543	1.804	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cccnc4C)C[C@]3(C)C2)C1=O	ZINC001091963729	953748305	/nfs/dbraw/zinc/74/83/05/953748305.db2.gz	GJBUFWNXVZZPIC-MMOPVJDHSA-N	1	0	368.481	1.571	20	30		FDEDRO
C[C@]12CN(C(=O)[C@]3(C)CCNC3=O)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001092008648	953952353	/nfs/dbraw/zinc/95/23/53/953952353.db2.gz	UWIGDNZWNCROMA-JRGCBEDISA-N	1	0	366.465	1.365	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)[C@@H]1C)[NH+]1CCCC1	ZINC001091979760	953977505	/nfs/dbraw/zinc/97/75/05/953977505.db2.gz	RTQPOHVLGVOGRO-RVKKMQEKSA-N	1	0	356.474	1.552	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)c3cc(C)c(C(N)=O)cn3)C[C@]2(C)C1	ZINC001092032555	953988576	/nfs/dbraw/zinc/98/85/76/953988576.db2.gz	NFYWIGVDYUSLRZ-QRWLVFNGSA-N	1	0	356.470	1.849	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H]2C)n1	ZINC001092025310	954108084	/nfs/dbraw/zinc/10/80/84/954108084.db2.gz	MPVCXEPRNMZPAS-HIFRSBDPSA-N	1	0	358.490	1.724	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3C[N@H+](CC[C@@H]4CCCO4)C[C@@]3(C)C2)nn1	ZINC001092079179	954225270	/nfs/dbraw/zinc/22/52/70/954225270.db2.gz	LEGRLANYFUYEFD-GJYPPUQNSA-N	1	0	359.474	1.427	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)C[C@]2(C)C1	ZINC001092090293	954251539	/nfs/dbraw/zinc/25/15/39/954251539.db2.gz	KJXUHZMNSPGTSN-MLYOOKFZSA-N	1	0	358.486	1.645	20	30		FDEDRO
C[C@]12CN(C(=O)C[C@@H]3CCC(=O)N3)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001092092910	954261477	/nfs/dbraw/zinc/26/14/77/954261477.db2.gz	JGDQSYLFOSYAKO-LQWHRVPQSA-N	1	0	366.465	1.507	20	30		FDEDRO
C[C@]12CN(C(=O)c3cnon3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1F)C2	ZINC001092115106	954349549	/nfs/dbraw/zinc/34/95/49/954349549.db2.gz	CIWZSLOOEHTGMV-KDOFPFPSSA-N	1	0	355.373	1.674	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc4c(c3)C(=O)NC4=O)C[C@]2(C)C1	ZINC001092209992	954615949	/nfs/dbraw/zinc/61/59/49/954615949.db2.gz	BRABWANQFAXOJK-VLIAUNLRSA-N	1	0	353.422	1.540	20	30		FDEDRO
Cn1cncc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1Nc1ccc(C#N)nc1	ZINC001092314793	954812903	/nfs/dbraw/zinc/81/29/03/954812903.db2.gz	RYWWBTVLDVPZQL-IAGOWNOFSA-N	1	0	367.457	1.045	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)C[C@@H]3c4ccccc4NC3=O)C[C@]2(C)C1	ZINC001092318002	954826403	/nfs/dbraw/zinc/82/64/03/954826403.db2.gz	WERJQJSBNFQVSN-CEQIKUNHSA-N	1	0	351.450	1.916	20	30		FDEDRO
C[C@]12CN(C(=O)Cn3ccnc3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1F)C2	ZINC001092319524	954830985	/nfs/dbraw/zinc/83/09/85/954830985.db2.gz	PWJWEJBZWNGIKD-XLIONFOSSA-N	1	0	367.428	1.874	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CCC([NH2+]Cc2nnc(C)[nH]2)CC1	ZINC000964021888	1013128847	/nfs/dbraw/zinc/12/88/47/1013128847.db2.gz	LKZBFHRZNDXDIJ-OBQMCRIKSA-N	1	0	361.490	1.954	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4nnc(C)n4C3)C[C@]2(C)C1	ZINC001092296949	954909635	/nfs/dbraw/zinc/90/96/35/954909635.db2.gz	NWXNPYKVTBEYEH-QKLQHJQFSA-N	1	0	357.502	1.895	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](CNC(=O)C[C@H]3CC[N@H+](C)C3)[C@H](C)C2)n1	ZINC001092385402	954984592	/nfs/dbraw/zinc/98/45/92/954984592.db2.gz	XZOUMMHLEOZORZ-FVQBIDKESA-N	1	0	356.474	1.187	20	30		FDEDRO
C=C(Cl)CN1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1nccn12	ZINC001092369569	955038155	/nfs/dbraw/zinc/03/81/55/955038155.db2.gz	FEDJBOAVVUCZAL-RBSFLKMASA-N	1	0	363.893	1.548	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)c1cc[n+]([O-])cc1	ZINC001092447221	955127669	/nfs/dbraw/zinc/12/76/69/955127669.db2.gz	NRPBTXJWHAUNDV-DNVCBOLYSA-N	1	0	350.422	1.690	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](CNC(=O)C3([NH+](C)C)CCC3)[C@H](C)C2)n1	ZINC001092415198	955145653	/nfs/dbraw/zinc/14/56/53/955145653.db2.gz	LKKWEDPKXNNYJY-UKRRQHHQSA-N	1	0	356.474	1.330	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C	ZINC001092416153	955148399	/nfs/dbraw/zinc/14/83/99/955148399.db2.gz	UFABAHWMRIJETQ-NUJGCVRESA-N	1	0	370.501	1.800	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3ccc(C)nc3)[C@H](C)C2)C1=O	ZINC001092472329	955211506	/nfs/dbraw/zinc/21/15/06/955211506.db2.gz	FBXLMUXMAVNYSM-ZTFGCOKTSA-N	1	0	356.470	1.475	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)c1cn[nH]c1	ZINC001092479554	955230004	/nfs/dbraw/zinc/23/00/04/955230004.db2.gz	UKFCYILPGKKWNC-RHSMWYFYSA-N	1	0	353.426	1.810	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3cnc(C)s3)[C@H](C)C2)C1=O	ZINC001092501874	955271522	/nfs/dbraw/zinc/27/15/22/955271522.db2.gz	QKJQEMGCQGREGZ-BPLDGKMQSA-N	1	0	362.499	1.536	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2NC(=O)c3ccccc32)C1	ZINC001197067266	972084379	/nfs/dbraw/zinc/08/43/79/972084379.db2.gz	QWTWPZCJGSAVNL-GUDVDZBRSA-N	1	0	371.481	1.769	20	30		FDEDRO
C[C@@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)[C@H](C)C1	ZINC001092528134	955338420	/nfs/dbraw/zinc/33/84/20/955338420.db2.gz	WWRMNBMHQDHFDT-HLLBOEOZSA-N	1	0	371.485	1.585	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC001092552224	955408444	/nfs/dbraw/zinc/40/84/44/955408444.db2.gz	LKNPJGPOBGYHTN-GDBMZVCRSA-N	1	0	357.458	1.197	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CCNC(=O)C1([NH+](C)C)CCC1	ZINC001092552118	955408588	/nfs/dbraw/zinc/40/85/88/955408588.db2.gz	NEITUNDWMUXFSI-HUUCEWRRSA-N	1	0	356.474	1.411	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CCNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001092531260	955490021	/nfs/dbraw/zinc/49/00/21/955490021.db2.gz	CGOBYLNNCXERSI-BZUAXINKSA-N	1	0	356.474	1.269	20	30		FDEDRO
COc1cc(C[N@H+]2C[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)sn1	ZINC001092531630	955492369	/nfs/dbraw/zinc/49/23/69/955492369.db2.gz	FCFHDZWACOIVPR-DGCLKSJQSA-N	1	0	359.455	1.849	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC001092532094	955495513	/nfs/dbraw/zinc/49/55/13/955495513.db2.gz	LANIWQYQSTTYMM-LZQZEXGQSA-N	1	0	366.465	1.788	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)C3CC(F)(F)C3)[C@H](C)C2)C1=O	ZINC001092536212	955515104	/nfs/dbraw/zinc/51/51/04/955515104.db2.gz	FFBVGQHLEKEXNW-YUELXQCFSA-N	1	0	355.429	1.503	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)c1cn(C)nn1	ZINC001092587579	955556569	/nfs/dbraw/zinc/55/65/69/955556569.db2.gz	IDSFJESQSSQMMC-IUODEOHRSA-N	1	0	356.405	1.324	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCC[C@@H]2CN(c3cncc(C#N)n3)C[C@H]2C)CC[N@@H+]1C	ZINC001092597780	955600722	/nfs/dbraw/zinc/60/07/22/955600722.db2.gz	BLWVFPLXDSUEIT-KCYZZUKISA-N	1	0	356.474	1.267	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CCNC(=O)C[N@@H+]1CCC[C@@H]1C	ZINC001092584489	955731451	/nfs/dbraw/zinc/73/14/51/955731451.db2.gz	YVGGQEIOOCFPNV-OWCLPIDISA-N	1	0	356.474	1.411	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNc2nccnc2C#N)C1	ZINC001092618921	955842083	/nfs/dbraw/zinc/84/20/83/955842083.db2.gz	UHDXEKZCGQABED-HZPDHXFCSA-N	1	0	358.490	1.977	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)[C@]12C[C@H]1COC2	ZINC001092624314	955870776	/nfs/dbraw/zinc/87/07/76/955870776.db2.gz	LXYJBMRWQLVQRS-JPUXWFAOSA-N	1	0	357.429	1.918	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](C[C@@H](O)COCC(C)C)CC1	ZINC001197196545	972138736	/nfs/dbraw/zinc/13/87/36/972138736.db2.gz	WDDCSNVWAUUCJD-KURKYZTESA-N	1	0	354.491	1.145	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@@H]1C[N@H+](Cc2ccnc(OC)n2)C[C@H]1C	ZINC001092677335	955993279	/nfs/dbraw/zinc/99/32/79/955993279.db2.gz	CWPZBBUOBIXEGZ-HZPDHXFCSA-N	1	0	369.469	1.971	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@@H]1C[N@H+]([C@@H]2CCN(CC=C)C2=O)C[C@H]1C	ZINC001092678215	955998061	/nfs/dbraw/zinc/99/80/61/955998061.db2.gz	ZMEXCRLDWPJSEO-ZHALLVOQSA-N	1	0	370.497	1.759	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(OC)nn2)C[C@H]1C	ZINC001092678138	955998081	/nfs/dbraw/zinc/99/80/81/955998081.db2.gz	WHBMARUCDDJIBV-HZPDHXFCSA-N	1	0	369.469	1.971	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2nc(C)cs2)C[C@H]1C	ZINC001092688823	956192671	/nfs/dbraw/zinc/19/26/71/956192671.db2.gz	BMHWKQVZDNXZEC-OIISXLGYSA-N	1	0	360.527	1.733	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(OC)cc2)C[C@H]1C	ZINC001092689595	956195625	/nfs/dbraw/zinc/19/56/25/956195625.db2.gz	NNRNKYKOPLDVMZ-QFUCXCTJSA-N	1	0	369.509	1.977	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1)[NH+]1CCCC1	ZINC001092849464	956494544	/nfs/dbraw/zinc/49/45/44/956494544.db2.gz	HQONVCUHPAJKAU-DFEOGRTESA-N	1	0	368.485	1.695	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@H]2C)cc1	ZINC001092875033	956617334	/nfs/dbraw/zinc/61/73/34/956617334.db2.gz	LUSIQEGVXPHMTP-LZQZEXGQSA-N	1	0	353.466	1.586	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]2C)cc1	ZINC001092876624	956624664	/nfs/dbraw/zinc/62/46/64/956624664.db2.gz	JDIPDIGFNGEMEZ-OXQOHEQNSA-N	1	0	363.461	1.865	20	30		FDEDRO
N#Cc1nccnc1N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2	ZINC001092853999	956691280	/nfs/dbraw/zinc/69/12/80/956691280.db2.gz	ZCIJQWIUCGAYAC-RYRKJORJSA-N	1	0	368.485	1.840	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)c1c[nH]c(=O)cn1	ZINC001092921021	956790718	/nfs/dbraw/zinc/79/07/18/956790718.db2.gz	NAIVGZFBKQTNMZ-NVXWUHKLSA-N	1	0	350.422	1.119	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccncc1C#N	ZINC001092977307	956973470	/nfs/dbraw/zinc/97/34/70/956973470.db2.gz	KWPOQVQOXNSDKY-MYZZLAAOSA-N	1	0	369.469	1.147	20	30		FDEDRO
N#Cc1nccnc1N1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2	ZINC001092980035	956982930	/nfs/dbraw/zinc/98/29/30/956982930.db2.gz	ODOFBBOALKPHID-INMHGKMJSA-N	1	0	354.458	1.450	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1	ZINC001092972128	957030071	/nfs/dbraw/zinc/03/00/71/957030071.db2.gz	TYWLYLXKVAEELH-RSPOEFSDSA-N	1	0	367.493	1.624	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1	ZINC001093018300	957142186	/nfs/dbraw/zinc/14/21/86/957142186.db2.gz	BUWLUCPKKAFVBG-TUVASFSCSA-N	1	0	360.437	1.254	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3cncc(C)c3)C[C@H]2C)nn1	ZINC001093035171	957252915	/nfs/dbraw/zinc/25/29/15/957252915.db2.gz	QKCDAWXONBSXOV-NVXWUHKLSA-N	1	0	354.458	1.665	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)c1ncccn1	ZINC001093072275	957328114	/nfs/dbraw/zinc/32/81/14/957328114.db2.gz	UFRUMGSRTZTXOC-NVXWUHKLSA-N	1	0	365.437	1.877	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3c[nH]nc3C3CC3)[C@H](C)C2)C1=O	ZINC001093099621	957404497	/nfs/dbraw/zinc/40/44/97/957404497.db2.gz	FLNKFGULDFRVDP-FRFSOERESA-N	1	0	371.485	1.372	20	30		FDEDRO
COc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2C)nn1	ZINC001093107702	957487607	/nfs/dbraw/zinc/48/76/07/957487607.db2.gz	KVEKDLOJKUYXJV-CHWSQXEVSA-N	1	0	371.466	1.916	20	30		FDEDRO
C[NH+](C)CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2nccnc2C#N)C1	ZINC001093115613	957557805	/nfs/dbraw/zinc/55/78/05/957557805.db2.gz	JQWWSDAXTJJPRA-DGCLKSJQSA-N	1	0	370.379	1.491	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1C	ZINC001093119977	957572800	/nfs/dbraw/zinc/57/28/00/957572800.db2.gz	XLFOZNRPCSQHCW-IXDOHACOSA-N	1	0	359.470	1.981	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2cc3c([nH]c2=O)CCOC3)[C@H](C)C1	ZINC001093119932	957572863	/nfs/dbraw/zinc/57/28/63/957572863.db2.gz	VFFDEKADMZUSJX-BXUZGUMPSA-N	1	0	365.861	1.910	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1C	ZINC001093119976	957573092	/nfs/dbraw/zinc/57/30/92/957573092.db2.gz	XLFOZNRPCSQHCW-BRWVUGGUSA-N	1	0	359.470	1.981	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(CNc2cncc(C#N)n2)C1	ZINC001093124465	957588994	/nfs/dbraw/zinc/58/89/94/957588994.db2.gz	CSUUEUIOUNVIMT-KXBFYZLASA-N	1	0	356.474	1.731	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@H]1CCCC(=O)N1C	ZINC001093167950	957724975	/nfs/dbraw/zinc/72/49/75/957724975.db2.gz	JLXYYJNNPPZNOL-ATZDWAIDSA-N	1	0	368.481	1.753	20	30		FDEDRO
Cc1nonc1C(=O)NC[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1C	ZINC001093252963	957932351	/nfs/dbraw/zinc/93/23/51/957932351.db2.gz	VOXAWNMPNOJKGP-CZUORRHYSA-N	1	0	356.401	1.867	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3c[nH]c(C)n3)C[C@H]2C)C1=O	ZINC001093271303	957938730	/nfs/dbraw/zinc/93/87/30/957938730.db2.gz	GVQDEZFDFOVEQU-FVQBIDKESA-N	1	0	359.474	1.193	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)Cc3cccnc3)C[C@H]2C)C1=O	ZINC001093273864	957943112	/nfs/dbraw/zinc/94/31/12/957943112.db2.gz	IHTHSDIABKQQMO-QRQLOZEOSA-N	1	0	370.497	1.485	20	30		FDEDRO
CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)C1=O	ZINC001093275294	957945982	/nfs/dbraw/zinc/94/59/82/957945982.db2.gz	XVAKVHRZMMQGIO-CKEIUWERSA-N	1	0	357.458	1.195	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C3=COCCO3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093428382	958046574	/nfs/dbraw/zinc/04/65/74/958046574.db2.gz	UCRKFAUUDQCIOQ-FXRXJOCMSA-N	1	0	350.459	1.417	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C)nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093437488	958069335	/nfs/dbraw/zinc/06/93/35/958069335.db2.gz	SFTSQWJWOZYXDC-SOAMZJECSA-N	1	0	360.502	1.884	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)C#CC2CC2)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccccn1)C2	ZINC001093442612	958081501	/nfs/dbraw/zinc/08/15/01/958081501.db2.gz	JHCNZAFEXOMXRA-CZAYHTPWSA-N	1	0	367.493	1.961	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncc[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093443873	958086320	/nfs/dbraw/zinc/08/63/20/958086320.db2.gz	VQYJHOZQKMFZAB-VMUDFCTBSA-N	1	0	352.866	1.742	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccn(CC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093446340	958094209	/nfs/dbraw/zinc/09/42/09/958094209.db2.gz	HHEQBWSXQAUELU-HNBVOPMISA-N	1	0	360.502	1.598	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(F)cncc3F)[C@H]2C(C)C)C[C@H]1O	ZINC001093448488	958108533	/nfs/dbraw/zinc/10/85/33/958108533.db2.gz	KGVDBGFAWNDOPF-RRIFGTCXSA-N	1	0	363.408	1.573	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc(C4CC4)o3)[C@H]2C(C)C)C[C@H]1O	ZINC001093448734	958110100	/nfs/dbraw/zinc/11/01/00/958110100.db2.gz	BVTSEGXFTXAUPT-RNKNFESXSA-N	1	0	357.454	1.765	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C4CC4)cnn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093449784	958118007	/nfs/dbraw/zinc/11/80/07/958118007.db2.gz	QKYKCNCKMWFYBK-PLOVASNDSA-N	1	0	370.497	1.510	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc4n(n3)CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093450035	958120706	/nfs/dbraw/zinc/12/07/06/958120706.db2.gz	SJWBNXXBTLKFMY-FTEYMNFISA-N	1	0	356.470	1.042	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc(C)n3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093459761	958184813	/nfs/dbraw/zinc/18/48/13/958184813.db2.gz	NCJHCVJAPPZYIA-LBKNJMOBSA-N	1	0	360.502	1.884	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(OCC)no3)[C@H]2C(C)C)C[C@H]1O	ZINC001093460099	958187639	/nfs/dbraw/zinc/18/76/39/958187639.db2.gz	XZNLYBUZDNVOHQ-XNWVLMOPSA-N	1	0	361.442	1.286	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CCF)C3)[C@@H]2C(C)C)c1	ZINC001093464111	958198063	/nfs/dbraw/zinc/19/80/63/958198063.db2.gz	CFNPGJRMAMINSO-FTEYMNFISA-N	1	0	359.445	1.612	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc(=O)n3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093464662	958200899	/nfs/dbraw/zinc/20/08/99/958200899.db2.gz	GDBJIHNJQIXGAQ-BIJSTVTOSA-N	1	0	359.470	1.151	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C(C)C)n[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093465349	958202997	/nfs/dbraw/zinc/20/29/97/958202997.db2.gz	JCUVLOJRKRSASM-MLYOOKFZSA-N	1	0	358.486	1.746	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3coc(C4CC4)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093465622	958204736	/nfs/dbraw/zinc/20/47/36/958204736.db2.gz	IPPZRXGIOFKCAP-WVSUBDOOSA-N	1	0	357.454	1.765	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)nn3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001093466092	958206262	/nfs/dbraw/zinc/20/62/62/958206262.db2.gz	LDTYSAHNNHIWFJ-LBKNJMOBSA-N	1	0	358.486	1.424	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncc(OC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093466574	958209984	/nfs/dbraw/zinc/20/99/84/958209984.db2.gz	NYWWJNGMJBMVKQ-OVLVRJBISA-N	1	0	360.458	1.251	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc4cccnn43)[C@H]2C(C)C)C[C@H]1O	ZINC001093466800	958211279	/nfs/dbraw/zinc/21/12/79/958211279.db2.gz	PYBSANDGPPCGRT-RDPOXOKHSA-N	1	0	366.465	1.547	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCC3CCOCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093466908	958212504	/nfs/dbraw/zinc/21/25/04/958212504.db2.gz	QFEXLNWFKNLLQW-UKAVVXHISA-N	1	0	362.514	1.793	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C(C)C)nn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093468992	958221019	/nfs/dbraw/zinc/22/10/19/958221019.db2.gz	CZTHCFWIHLWHIJ-MYZZLAAOSA-N	1	0	361.490	1.625	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3ncccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093469237	958221203	/nfs/dbraw/zinc/22/12/03/958221203.db2.gz	FJFGAOHIQKBRHD-SMOSDQRPSA-N	1	0	356.470	1.009	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncc(Cl)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093469560	958222224	/nfs/dbraw/zinc/22/22/24/958222224.db2.gz	HREBOCQCLIBLFZ-MTNOOBJLSA-N	1	0	361.873	1.948	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(CCC)nn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093469941	958225775	/nfs/dbraw/zinc/22/57/75/958225775.db2.gz	NSUUFTGZKXKIOF-KLICCBINSA-N	1	0	361.490	1.454	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nc(CC)oc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093470150	958227531	/nfs/dbraw/zinc/22/75/31/958227531.db2.gz	QDQCBWNIMAPQSM-CWLMSFPYSA-N	1	0	359.470	1.758	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH]c4cccnc34)[C@@H]2C(C)C)C[C@H]1O	ZINC001093471735	958235823	/nfs/dbraw/zinc/23/58/23/958235823.db2.gz	GLMVNCDQYAHGKK-VGUOSERISA-N	1	0	366.465	1.776	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ncc[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093472738	958239973	/nfs/dbraw/zinc/23/99/73/958239973.db2.gz	MTHMCFUWHZXVLS-DTDBQYNISA-N	1	0	366.893	1.671	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)c2c[nH+]ccc2N(C)C)C[C@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001093472697	958240210	/nfs/dbraw/zinc/24/02/10/958240210.db2.gz	KPJJMQNVJDBIRV-UIXUWTQFSA-N	1	0	371.485	1.251	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn4cc[nH]c34)[C@@H]2C(C)C)C[C@H]1O	ZINC001093473820	958245277	/nfs/dbraw/zinc/24/52/77/958245277.db2.gz	PIFKQXVSHZPMBX-VIPLHTEESA-N	1	0	371.485	1.818	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncccc3Cl)[C@H]2C(C)C)C[C@H]1O	ZINC001093474185	958247641	/nfs/dbraw/zinc/24/76/41/958247641.db2.gz	QPXIBFNAVBBJFM-IIHSZXCVSA-N	1	0	361.873	1.948	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(N(C)C)cc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093474637	958249147	/nfs/dbraw/zinc/24/91/47/958249147.db2.gz	TXSBMFYLJZIBQM-NXLVEIQXSA-N	1	0	369.509	1.966	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3cncn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093476428	958254377	/nfs/dbraw/zinc/25/43/77/958254377.db2.gz	AYIAGAARZPBSNR-IZBJGVDFSA-N	1	0	360.502	1.505	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(CCF)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452509	958257029	/nfs/dbraw/zinc/25/70/29/958257029.db2.gz	KAVYCGVJBWTKHT-YWTNHNAXSA-N	1	0	364.465	1.618	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COc3ccccc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093477211	958257207	/nfs/dbraw/zinc/25/72/07/958257207.db2.gz	FYOLQCQPFOHQMP-UBBRYJJRSA-N	1	0	370.493	1.973	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccn(C)c(=O)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452830	958259616	/nfs/dbraw/zinc/25/96/16/958259616.db2.gz	OMCGRECOYUNAGG-CIWUYKSXSA-N	1	0	359.470	1.151	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc(Cl)n3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093453912	958264245	/nfs/dbraw/zinc/26/42/45/958264245.db2.gz	YAMSLBUGABYAJH-LJGDNWOOSA-N	1	0	366.893	1.839	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3nc(C)cc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093458216	958282423	/nfs/dbraw/zinc/28/24/23/958282423.db2.gz	MLGRQOZENLXKSF-JYBIWHBTSA-N	1	0	360.502	1.652	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccc(OC)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093458271	958283011	/nfs/dbraw/zinc/28/30/11/958283011.db2.gz	BRPGCUUPGNXYKH-VURPSTOHSA-N	1	0	371.481	1.232	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3snnc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001093458863	958285372	/nfs/dbraw/zinc/28/53/72/958285372.db2.gz	PUCDZLPGAWRVGK-AHEZYBDSSA-N	1	0	364.515	1.866	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c(C)noc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093477827	958290457	/nfs/dbraw/zinc/29/04/57/958290457.db2.gz	NJHLTTCTLUPGOL-LFGUQSLTSA-N	1	0	361.486	1.986	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCn3cc(C)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093478653	958294675	/nfs/dbraw/zinc/29/46/75/958294675.db2.gz	GJPJHXUWWDHNBB-LFGUQSLTSA-N	1	0	358.486	1.181	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)n(C)c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093478555	958295307	/nfs/dbraw/zinc/29/53/07/958295307.db2.gz	RBMPNCGSUWMXLV-XCJLJZCSSA-N	1	0	357.498	1.855	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3ccnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093480877	958305372	/nfs/dbraw/zinc/30/53/72/958305372.db2.gz	PPSMOJINWSHTEM-JYBIWHBTSA-N	1	0	360.502	1.734	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCn3cc(C)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093480887	958305443	/nfs/dbraw/zinc/30/54/43/958305443.db2.gz	PWJQQBJUFKJFFI-HNBVOPMISA-N	1	0	360.502	1.734	20	30		FDEDRO
C=CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1	ZINC001093487597	958310447	/nfs/dbraw/zinc/31/04/47/958310447.db2.gz	JORZHMXESSLCRT-FYBDHJHVSA-N	1	0	371.525	1.735	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001093639317	958406973	/nfs/dbraw/zinc/40/69/73/958406973.db2.gz	FNFAGIZUMBDXCY-RHSMWYFYSA-N	1	0	370.432	1.563	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3ccc(C)nc3)C[C@H]2C)C1=O	ZINC001093640412	958409859	/nfs/dbraw/zinc/40/98/59/958409859.db2.gz	LKAXEBNZVPLWTA-ZTFGCOKTSA-N	1	0	356.470	1.475	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCOC2CCOCC2)C1	ZINC001197673760	972345929	/nfs/dbraw/zinc/34/59/29/972345929.db2.gz	LXJPEPIQKGKQEH-CGTJXYLNSA-N	1	0	354.491	1.478	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001093647855	958425888	/nfs/dbraw/zinc/42/58/88/958425888.db2.gz	IYTYDRNIOWCWEU-MZMPZRCHSA-N	1	0	361.417	1.297	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2cccc(S(C)(=O)=O)c2)[C@H](C)C1	ZINC001093679575	958534342	/nfs/dbraw/zinc/53/43/42/958534342.db2.gz	XKHLAVXVOMXMJY-IIAWOOMASA-N	1	0	363.483	1.434	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3oc(C)cc3C)C[C@H]2C)C1=O	ZINC001093699225	958563626	/nfs/dbraw/zinc/56/36/26/958563626.db2.gz	GVSHJLKPQPRZJR-OIISXLGYSA-N	1	0	359.470	1.981	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1ccc(C(N)=O)cc1	ZINC001093699552	958564916	/nfs/dbraw/zinc/56/49/16/958564916.db2.gz	DMVJOOWARITLJI-CXAGYDPISA-N	1	0	365.437	1.483	20	30		FDEDRO
COc1cc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)sn1	ZINC001093699693	958565119	/nfs/dbraw/zinc/56/51/19/958565119.db2.gz	HDUCZSKWYDDINY-DGCLKSJQSA-N	1	0	359.455	1.849	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2nnc[nH]2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001093701426	958568709	/nfs/dbraw/zinc/56/87/09/958568709.db2.gz	NMNNCAHQHZOOSP-CZUORRHYSA-N	1	0	370.432	1.632	20	30		FDEDRO
CCc1noc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)n1	ZINC001093715598	958583711	/nfs/dbraw/zinc/58/37/11/958583711.db2.gz	IHSDDJWYLZINIY-JHJVBQTASA-N	1	0	356.430	1.891	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3cn(C)cn3)C[C@H]2C)cc1C#N	ZINC001093715769	958585618	/nfs/dbraw/zinc/58/56/18/958585618.db2.gz	RJAOHAFGGASYOX-RHSMWYFYSA-N	1	0	367.453	1.798	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1ccc(C(N)=O)cc1	ZINC001093726557	958612774	/nfs/dbraw/zinc/61/27/74/958612774.db2.gz	ZJGGWRRYJRJSFM-CXAGYDPISA-N	1	0	365.437	1.483	20	30		FDEDRO
C[C@@H]1CN(C(=O)CO[C@H]2CCOC2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093768196	958719206	/nfs/dbraw/zinc/71/92/06/958719206.db2.gz	NUZNZCQSICTHRL-LZQZEXGQSA-N	1	0	357.454	1.548	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3cc(C)nc(C)c3)C[C@H]2C)C1=O	ZINC001093796226	958805255	/nfs/dbraw/zinc/80/52/55/958805255.db2.gz	HLOXJIOUNUFACU-ZMYBRWDISA-N	1	0	370.497	1.783	20	30		FDEDRO
C#C[C@@H](NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCCO1	ZINC000773219059	958845210	/nfs/dbraw/zinc/84/52/10/958845210.db2.gz	RJNUFLLNZHKYTO-WOJBJXKFSA-N	1	0	370.497	1.679	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCN(C)C2=O)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093847013	958969998	/nfs/dbraw/zinc/96/99/98/958969998.db2.gz	LKMGBGVAFCDKMI-ATZDWAIDSA-N	1	0	368.481	1.611	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)NC2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093816703	959005849	/nfs/dbraw/zinc/00/58/49/959005849.db2.gz	QQIKUZLEJLOBSE-AYOQOUSVSA-N	1	0	368.481	1.659	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3ccnn3)cc2)C1	ZINC001197733442	972402164	/nfs/dbraw/zinc/40/21/64/972402164.db2.gz	XWQHYZNAHUOWNB-RTBURBONSA-N	1	0	369.469	1.789	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@](C)(NC(C)=O)C2CC2)C1	ZINC001197751647	972413755	/nfs/dbraw/zinc/41/37/55/972413755.db2.gz	DCIIDFIDPXOPGW-LMMKCTJWSA-N	1	0	351.491	1.199	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093992754	959450872	/nfs/dbraw/zinc/45/08/72/959450872.db2.gz	ZOUKKAJONNPNMM-XNJGSVPQSA-N	1	0	351.447	1.932	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093992748	959451330	/nfs/dbraw/zinc/45/13/30/959451330.db2.gz	ZOUKKAJONNPNMM-PBFPGSCMSA-N	1	0	351.447	1.932	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001093975736	959522297	/nfs/dbraw/zinc/52/22/97/959522297.db2.gz	WKSJVFIEKSWJHL-HJLQZSMCSA-N	1	0	357.429	1.774	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3ccn(C)c3C)C[C@H]2C)C1=O	ZINC001094023644	959544115	/nfs/dbraw/zinc/54/41/15/959544115.db2.gz	PQNYLUDMKVCVMD-KYJSFNMBSA-N	1	0	358.486	1.418	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001094055153	959644859	/nfs/dbraw/zinc/64/48/59/959644859.db2.gz	LFAPJJVXBNHYJO-CZUORRHYSA-N	1	0	370.432	1.632	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cncc(OC)n2)[C@H](C)C1	ZINC001094057437	959651172	/nfs/dbraw/zinc/65/11/72/959651172.db2.gz	LCSCVSOKSXQROZ-SRABZTEZSA-N	1	0	360.458	1.260	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3cnc(C)nc3)[C@H](C)C2)nn1	ZINC001094095276	959772406	/nfs/dbraw/zinc/77/24/06/959772406.db2.gz	LHGIYVIQEWWXGU-CZUORRHYSA-N	1	0	355.446	1.060	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001094125708	959832395	/nfs/dbraw/zinc/83/23/95/959832395.db2.gz	BJYIEDHOEFTQFK-NVXWUHKLSA-N	1	0	365.437	1.877	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C3(C)CC(F)(F)C3)C[C@H]2C)C1=O	ZINC001094160019	959935170	/nfs/dbraw/zinc/93/51/70/959935170.db2.gz	QRBBQBYRWHINCQ-KFWWJZLASA-N	1	0	369.456	1.893	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ccn(C)c(=O)c3)[C@H](C)C2)nc1	ZINC001094171754	959968849	/nfs/dbraw/zinc/96/88/49/959968849.db2.gz	CQUVHFUMPIGGAX-CRAIPNDOSA-N	1	0	364.449	1.260	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+][C@H](C)c2nnnn2C)[C@H](C)C1	ZINC001094188317	960069004	/nfs/dbraw/zinc/06/90/04/960069004.db2.gz	OFKKDZGFHPTJKC-IIDMSEBBSA-N	1	0	366.469	1.179	20	30		FDEDRO
C#C[C@@H](NCC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)[C@H]1CCCO1	ZINC000775791351	972483704	/nfs/dbraw/zinc/48/37/04/972483704.db2.gz	LUZHOFUODQFYSP-WOJBJXKFSA-N	1	0	370.497	1.537	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCc1cn(C2C[NH+](CCC(C)C)C2)nn1	ZINC001094292012	960254848	/nfs/dbraw/zinc/25/48/48/960254848.db2.gz	YBABLQQPBBERTE-MSOLQXFVSA-N	1	0	361.490	1.778	20	30		FDEDRO
C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@]23CCC[C@H]2N(CC#N)CC3)CC1	ZINC001094417260	960409178	/nfs/dbraw/zinc/40/91/78/960409178.db2.gz	PKNWRICYSKRKDN-WERVVEIQSA-N	1	0	374.529	1.618	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(C)C)CC2	ZINC001094433358	960445741	/nfs/dbraw/zinc/44/57/41/960445741.db2.gz	GEFZAYFYYPHDKY-YLJYHZDGSA-N	1	0	358.486	1.737	20	30		FDEDRO
Cn1nncc1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccc(C#N)s1)CC2	ZINC001094406099	960455206	/nfs/dbraw/zinc/45/52/06/960455206.db2.gz	DXTUHSYFBTUZMS-SJLPKXTDSA-N	1	0	370.482	1.923	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CCCCCC=C)C[C@H]1O	ZINC001197902960	972510265	/nfs/dbraw/zinc/51/02/65/972510265.db2.gz	ARPXRHRQLMBAKA-QZTJIDSGSA-N	1	0	357.454	1.615	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3c3ncccn3)CCC[C@@H]12	ZINC001094438287	960484443	/nfs/dbraw/zinc/48/44/43/960484443.db2.gz	DBYIJLVPWGQCID-MBOZVWFJSA-N	1	0	355.486	1.992	20	30		FDEDRO
C=CCOc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(N)=O)CC3)cc1	ZINC001094450782	960530267	/nfs/dbraw/zinc/53/02/67/960530267.db2.gz	KIDFBGRXQCABPC-YLJYHZDGSA-N	1	0	357.454	1.711	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC4N=NC(=O)N4C3)CCC[C@@H]12	ZINC001094453094	960532254	/nfs/dbraw/zinc/53/22/54/960532254.db2.gz	MPKCLNLVFPMACZ-QMTMVMCOSA-N	1	0	359.474	1.483	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C(N)=O)cn3C)CCC[C@@H]12	ZINC001094459110	960558076	/nfs/dbraw/zinc/55/80/76/960558076.db2.gz	CVVPVHIDNFSUOH-CRAIPNDOSA-N	1	0	364.877	1.851	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)[nH]c(=O)n3C)C2	ZINC001110157985	960589761	/nfs/dbraw/zinc/58/97/61/960589761.db2.gz	CRUYNLULIFVLJP-HFTRVMKXSA-N	1	0	370.453	1.817	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)c3nc(C)n(-c4nc[nH]n4)n3)CCC[C@@H]12	ZINC001094482036	960666285	/nfs/dbraw/zinc/66/62/85/960666285.db2.gz	UTERYLAFSKPSEJ-RDTXWAMCSA-N	1	0	370.461	1.244	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[C@H](C(=O)N4CCCC4)O3)CCC[C@@H]12	ZINC001094511744	960696863	/nfs/dbraw/zinc/69/68/63/960696863.db2.gz	AAAMDUCPTPFTQZ-XKGFGPFHSA-N	1	0	373.497	1.150	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4nnnn4CC3)CCC[C@@H]12	ZINC001094518444	960714358	/nfs/dbraw/zinc/71/43/58/960714358.db2.gz	FNDKYLCSLGQOJZ-GPMSIDNRSA-N	1	0	356.474	1.010	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3cn(C[C@H]4CCOC4)nn3)CCC[C@@H]12	ZINC001094548043	960725261	/nfs/dbraw/zinc/72/52/61/960725261.db2.gz	MEPDYOBKGNZNKA-SZVBFZGTSA-N	1	0	359.474	1.475	20	30		FDEDRO
N#Cc1ccc(F)c(C[N@@H+]2CC[C@@]3(CNC(=O)c4nnc[nH]4)CCC[C@@H]23)c1	ZINC001094538357	960765530	/nfs/dbraw/zinc/76/55/30/960765530.db2.gz	BLOJGLHJAPQLPI-VQIMIIECSA-N	1	0	368.416	1.990	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(-n4cnnn4)cc3)CCC[C@@H]12	ZINC001094573819	960850354	/nfs/dbraw/zinc/85/03/54/960850354.db2.gz	LMWWLXHLUSOPIB-IEBWSBKVSA-N	1	0	352.442	1.823	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)CCC[C@@H]12	ZINC001094575565	960855501	/nfs/dbraw/zinc/85/55/01/960855501.db2.gz	VFHJEMISMVEACW-HGHGUNKESA-N	1	0	357.498	1.772	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C)nc4c3cnn4C)CCC[C@@H]12	ZINC001094548451	960883654	/nfs/dbraw/zinc/88/36/54/960883654.db2.gz	YYWIDCFWQFIJNY-YLJYHZDGSA-N	1	0	351.454	1.884	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C[C@@H](O)COC)C1	ZINC001181525067	960904775	/nfs/dbraw/zinc/90/47/75/960904775.db2.gz	CYGMWXBLVVNUBP-ZQOJQMTGSA-N	1	0	354.491	1.049	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C(N)=O)ccn3)CCC[C@@H]12	ZINC001094591510	960924084	/nfs/dbraw/zinc/92/40/84/960924084.db2.gz	RGBHTCNOHJUDII-CRAIPNDOSA-N	1	0	362.861	1.907	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@@]1(C)C[NH2+]CC#Cc1ccccc1	ZINC001181772121	961092597	/nfs/dbraw/zinc/09/25/97/961092597.db2.gz	IKGCMPOTBLEUCF-YSNWRPKNSA-N	1	0	370.493	1.916	20	30		FDEDRO
C=C(C)CC[NH+]1CC(N2C[C@@H](NC(=O)[C@]34CCC[C@H]3OCC4)CC2=O)C1	ZINC001094759971	961114276	/nfs/dbraw/zinc/11/42/76/961114276.db2.gz	CUOZTCUWXAGIOG-VPWXQRGCSA-N	1	0	361.486	1.313	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCC(C)C)C2)C1	ZINC001094737391	961128568	/nfs/dbraw/zinc/12/85/68/961128568.db2.gz	UJFGVMFBRGJBMU-NXHRZFHOSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=C(C)CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CCO[C@H]3C(=C)C)CC2=O)C1	ZINC001094795789	961179966	/nfs/dbraw/zinc/17/99/66/961179966.db2.gz	ZAYUYIVVBUJUOG-IEZWGBDMSA-N	1	0	361.486	1.335	20	30		FDEDRO
C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C[C@H]1C	ZINC001181913309	961258916	/nfs/dbraw/zinc/25/89/16/961258916.db2.gz	DJWXZRXTCBHBKV-HGTKMLMNSA-N	1	0	364.408	1.983	20	30		FDEDRO
CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C[C@H]1C	ZINC001181913619	961259614	/nfs/dbraw/zinc/25/96/14/961259614.db2.gz	IHLIKJRTNOOUGU-HGTKMLMNSA-N	1	0	362.392	1.430	20	30		FDEDRO
C[NH+]1CCC(O)(C(=O)Nc2c(C#N)c(CC#N)nn2-c2ccccc2)CC1	ZINC001182027875	961346505	/nfs/dbraw/zinc/34/65/05/961346505.db2.gz	IJYCPBLZQLPHCQ-UHFFFAOYSA-N	1	0	364.409	1.205	20	30		FDEDRO
C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	ZINC001171879194	961357597	/nfs/dbraw/zinc/35/75/97/961357597.db2.gz	QWEXGYGWSSFQDC-QRVBRYPASA-N	1	0	365.518	1.154	20	30		FDEDRO
COc1ccc(C#CC(=O)N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)cc1	ZINC001182046167	961361827	/nfs/dbraw/zinc/36/18/27/961361827.db2.gz	HJSRMRLTGLKWPB-QGZVFWFLSA-N	1	0	352.438	1.463	20	30		FDEDRO
COCCC[NH+]1CCC(N[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC001172245591	961592213	/nfs/dbraw/zinc/59/22/13/961592213.db2.gz	XAHRQOGRJXMTBH-LJQANCHMSA-N	1	0	366.506	1.980	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@H]2C[C@@H](C(=O)N3CCOCC3)[C@@H](C1)O2	ZINC001172305740	961617860	/nfs/dbraw/zinc/61/78/60/961617860.db2.gz	FVSQZRYBFUNIDR-YGWPLHOASA-N	1	0	369.465	1.437	20	30		FDEDRO
CNC(=O)[C@]12C[N@@H+]([C@H](C)CCCC#N)C[C@H]1N(c1ncccn1)CCC2	ZINC001172495615	961686288	/nfs/dbraw/zinc/68/62/88/961686288.db2.gz	SEKYHPOWWFTSTN-GPMSIDNRSA-N	1	0	356.474	1.576	20	30		FDEDRO
CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CC[N@@H+]([C@@H](C)CCCC#N)C2	ZINC001172495677	961687702	/nfs/dbraw/zinc/68/77/02/961687702.db2.gz	SPCSZGWBBYJXKV-KXBFYZLASA-N	1	0	372.473	1.142	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCNC(=O)c2ccncc2)C[C@H]1C#N	ZINC001172971309	961855505	/nfs/dbraw/zinc/85/55/05/961855505.db2.gz	ONTPTOMSMPBQPV-CVEARBPZSA-N	1	0	373.457	1.693	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCN2CCCCC2=O)C[C@H]1C#N	ZINC001172969234	961855850	/nfs/dbraw/zinc/85/58/50/961855850.db2.gz	WTEYSNCDICKTAD-GJZGRUSLSA-N	1	0	350.463	1.880	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC(=O)NC2CCCC2)C[C@H]1C#N	ZINC001172971592	961855887	/nfs/dbraw/zinc/85/58/87/961855887.db2.gz	QVSSQRJPZMJKAD-GJZGRUSLSA-N	1	0	350.463	1.926	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CCN(C(=O)C3CC3)C2)C[C@H]1C#N	ZINC001172975033	961857742	/nfs/dbraw/zinc/85/77/42/961857742.db2.gz	VRLPZNGPQNPSRR-JYJNAYRXSA-N	1	0	362.474	1.879	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@@](C)(CO)[C@@H](O)C2)C[C@H]1C#N	ZINC001172981066	961864719	/nfs/dbraw/zinc/86/47/19/961864719.db2.gz	SDHHJAPXZPFNTO-XSWJXKHESA-N	1	0	353.463	1.343	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@](C)(CO)[C@H](O)C2)C[C@H]1C#N	ZINC001172981065	961865241	/nfs/dbraw/zinc/86/52/41/961865241.db2.gz	SDHHJAPXZPFNTO-OIPACUDHSA-N	1	0	353.463	1.343	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCN2CC3(COC3)C2)C[C@H]1C#N	ZINC001172985427	961869017	/nfs/dbraw/zinc/86/90/17/961869017.db2.gz	OVNDXUCPIGQOTR-GJZGRUSLSA-N	1	0	350.463	1.200	20	30		FDEDRO
C[NH+](C)C[C@@H]1COCCN1[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1	ZINC001172992265	961901504	/nfs/dbraw/zinc/90/15/04/961901504.db2.gz	UPQKUUMQXQIZAB-HRCADAONSA-N	1	0	352.479	1.540	20	30		FDEDRO
COc1cccc2c1C[C@@H](NC(=[NH2+])c1ccc(S(C)(=O)=O)cc1)CO2	ZINC001173158364	961944413	/nfs/dbraw/zinc/94/44/13/961944413.db2.gz	DNEHXQJJFGEXGJ-CYBMUJFWSA-N	1	0	360.435	1.808	20	30		FDEDRO
C#CCOCCOCC[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-]	ZINC001173184143	961955420	/nfs/dbraw/zinc/95/54/20/961955420.db2.gz	OOEJHNFKBMVGNU-CYBMUJFWSA-N	1	0	354.378	1.930	20	30		FDEDRO
C=CCOC1CCC([N@@H+]2C[C@H]3C[C@H](C(=O)N4CCOCC4)[C@@H](C2)O3)CC1	ZINC001173320973	962004297	/nfs/dbraw/zinc/00/42/97/962004297.db2.gz	URKMQNYSKIMAIC-QCRHNUIXSA-N	1	0	364.486	1.448	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[N@@H+](C2CCC(CC#N)CC2)C[C@H]1C(N)=O	ZINC001173339123	962010221	/nfs/dbraw/zinc/01/02/21/962010221.db2.gz	MAISMZYLCODANI-NRXISQOPSA-N	1	0	350.463	1.865	20	30		FDEDRO
CNC(=O)[C@@H]([NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1)C(C)(C)C	ZINC001173425326	962131410	/nfs/dbraw/zinc/13/14/10/962131410.db2.gz	RKEVUAWGTGANRV-QGZVFWFLSA-N	1	0	356.470	1.913	20	30		FDEDRO
CC(=O)NC1CC[NH+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1	ZINC001173429149	962144121	/nfs/dbraw/zinc/14/41/21/962144121.db2.gz	RJTSKEUEEZZDIG-UHFFFAOYSA-N	1	0	354.454	1.763	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([N@@H+]3CC[C@H](N4CCOCC4)C3)CC2)cc1	ZINC001173431381	962148596	/nfs/dbraw/zinc/14/85/96/962148596.db2.gz	HSAWXUWRBFGSFI-FQEVSTJZSA-N	1	0	368.481	1.569	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1	ZINC001173432369	962150275	/nfs/dbraw/zinc/15/02/75/962150275.db2.gz	YXXIKHMWCIYRBX-GOSISDBHSA-N	1	0	368.481	1.963	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH+]3CCC4(COC(=O)N4)CC3)CC2)cc1	ZINC001173434985	962159005	/nfs/dbraw/zinc/15/90/05/962159005.db2.gz	VAATVKWFVYSTFO-UHFFFAOYSA-N	1	0	368.437	1.737	20	30		FDEDRO
N#Cc1ccc(N2CCCN(C(=O)[C@@H]3CCC[N@@H+]3CC3CC3)CC2)nc1	ZINC001182556089	962278212	/nfs/dbraw/zinc/27/82/12/962278212.db2.gz	FWFIHMYSENNATC-SFHVURJKSA-N	1	0	353.470	1.866	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1C	ZINC001182598356	962353392	/nfs/dbraw/zinc/35/33/92/962353392.db2.gz	CAQXTZUKVNJUPO-YYAJDYIMSA-N	1	0	351.491	1.273	20	30		FDEDRO
CC1(C#N)CCC([NH2+]Cc2cc(N3CCS(=O)(=O)CC3)ccn2)CC1	ZINC001173590858	962470285	/nfs/dbraw/zinc/47/02/85/962470285.db2.gz	DNCGAKPVMXSRRY-UHFFFAOYSA-N	1	0	362.499	1.878	20	30		FDEDRO
CC1(C#N)CCC(NS(=O)(=O)c2ccc(N3CC[NH2+]CC3)cc2)CC1	ZINC001173594306	962470967	/nfs/dbraw/zinc/47/09/67/962470967.db2.gz	YULQTXFGIVFZMG-UHFFFAOYSA-N	1	0	362.499	1.847	20	30		FDEDRO
CC1(C#N)CCC(N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)CC1	ZINC001173595737	962472650	/nfs/dbraw/zinc/47/26/50/962472650.db2.gz	VGGWGVRZLBSQLZ-UHFFFAOYSA-N	1	0	352.460	1.554	20	30		FDEDRO
Cn1ccnc1C(=O)N[C@@H]1C[N@@H+](C2CCC(C)(C#N)CC2)[C@@H]2CCCO[C@H]12	ZINC001173596228	962472666	/nfs/dbraw/zinc/47/26/66/962472666.db2.gz	OKXJDMWBCNBSOV-LUJDSPJVSA-N	1	0	371.485	1.854	20	30		FDEDRO
C[N@H+](CCC#N)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC001173694996	962585615	/nfs/dbraw/zinc/58/56/15/962585615.db2.gz	GMVMTSSVLUSOIO-UHFFFAOYSA-N	1	0	352.416	1.593	20	30		FDEDRO
N#CC1CC([NH2+]C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1	ZINC001173696452	962585967	/nfs/dbraw/zinc/58/59/67/962585967.db2.gz	XURYKDDYULWZNO-UHFFFAOYSA-N	1	0	364.427	1.640	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCOCCOC)C1	ZINC001182870033	962615905	/nfs/dbraw/zinc/61/59/05/962615905.db2.gz	ZSCKCKJZEMOWSC-DOADOZAASA-N	1	0	368.518	1.705	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1	ZINC000957519569	1013361954	/nfs/dbraw/zinc/36/19/54/1013361954.db2.gz	MDPSNADAOKOXAR-LZQZEXGQSA-N	1	0	353.466	1.268	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CC[C@H]2[C@H]1CC(=O)N2Cc1cccc(C)n1	ZINC001183042975	962754621	/nfs/dbraw/zinc/75/46/21/962754621.db2.gz	INVDRLMUEJCNOL-RBUKOAKNSA-N	1	0	368.481	1.744	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21	ZINC001183042740	962754933	/nfs/dbraw/zinc/75/49/33/962754933.db2.gz	CEXQQBNBSXSEEG-FHWLQOOXSA-N	1	0	357.454	1.871	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1	ZINC001183043341	962755100	/nfs/dbraw/zinc/75/51/00/962755100.db2.gz	QNDBWPKBSYGXGA-UHFFFAOYSA-N	1	0	357.502	1.516	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H]2CCc3ncnn32)c1	ZINC001095283262	962767562	/nfs/dbraw/zinc/76/75/62/962767562.db2.gz	LRFOPWVZQKBRLJ-HOSILWTGSA-N	1	0	351.414	1.000	20	30		FDEDRO
C#C[C@H](NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@H]1CCCO1	ZINC000773435031	962995584	/nfs/dbraw/zinc/99/55/84/962995584.db2.gz	GUVATGILZZKSPY-GBESFXJTSA-N	1	0	357.454	1.233	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1	ZINC001183369092	963017175	/nfs/dbraw/zinc/01/71/75/963017175.db2.gz	MXLJZSBLYNOTSC-QGTPRVQTSA-N	1	0	362.857	1.686	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@]1(C)COCCN1C(=O)OC(C)(C)C	ZINC001183637986	963178097	/nfs/dbraw/zinc/17/80/97/963178097.db2.gz	NROZGKOMGFIJNT-HNAYVOBHSA-N	1	0	367.490	1.779	20	30		FDEDRO
C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H](C#N)Cc2ccc(O)cc2)CC1	ZINC001183615812	963191537	/nfs/dbraw/zinc/19/15/37/963191537.db2.gz	HIDAGQCTMDCWNY-BRWVUGGUSA-N	1	0	372.469	1.180	20	30		FDEDRO
N#C[C@@H](Cc1ccc(O)cc1)C(=O)N(Cc1ccccc1)C1(C[NH3+])COC1	ZINC001183616599	963191590	/nfs/dbraw/zinc/19/15/90/963191590.db2.gz	OVWQGXNXSBAEQY-GOSISDBHSA-N	1	0	365.433	1.831	20	30		FDEDRO
C[NH+]1CCN(c2ccc(Nc3c(C#N)cnn3C3CCOCC3)cn2)CC1	ZINC001176654293	963518793	/nfs/dbraw/zinc/51/87/93/963518793.db2.gz	AQCJMPAJTRIDQF-UHFFFAOYSA-N	1	0	367.457	1.997	20	30		FDEDRO
CC(C)(C)NS(=O)(=O)C1(C[NH2+]CCNc2ncccc2C#N)CC1	ZINC001184441144	963590303	/nfs/dbraw/zinc/59/03/03/963590303.db2.gz	VMEOREOMPVFKHM-UHFFFAOYSA-N	1	0	351.476	1.205	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1	ZINC001184492732	963617529	/nfs/dbraw/zinc/61/75/29/963617529.db2.gz	YXVPOHBMAFQSNI-VNQPRFMTSA-N	1	0	361.392	1.008	20	30		FDEDRO
CCOC(=O)CO/N=C(\C(=O)Nc1ccc(C[NH2+]C)cc1)c1cc[nH]n1	ZINC001177259065	963719997	/nfs/dbraw/zinc/71/99/97/963719997.db2.gz	ZJZTYAGBMCBHIO-JWGURIENSA-N	1	0	359.386	1.052	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@@H](C)c2ccccc2OC(F)F)CC1	ZINC000774883062	963946836	/nfs/dbraw/zinc/94/68/36/963946836.db2.gz	LBYUKJXLVFIPMV-AWEZNQCLSA-N	1	0	351.397	1.716	20	30		FDEDRO
C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2C(=O)CNC2=O)CCCC1	ZINC001110214553	964012881	/nfs/dbraw/zinc/01/28/81/964012881.db2.gz	MCECLUVFWRJMBP-PMPSAXMXSA-N	1	0	374.485	1.396	20	30		FDEDRO
C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@@H](C#N)Cc2cccs2)C1	ZINC001177907870	964017218	/nfs/dbraw/zinc/01/72/18/964017218.db2.gz	GGXBGHHCNVKZCJ-HUUCEWRRSA-N	1	0	357.483	1.847	20	30		FDEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@H](C#N)Cc1cccs1)CC2	ZINC001177909782	964019487	/nfs/dbraw/zinc/01/94/87/964019487.db2.gz	YXDVKANZOHXSHS-HNNXBMFYSA-N	1	0	374.510	1.633	20	30		FDEDRO
C#CCCCNC(=O)C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1	ZINC000774913496	964042858	/nfs/dbraw/zinc/04/28/58/964042858.db2.gz	DFDWPPWBYXFQKI-QGZVFWFLSA-N	1	0	357.454	1.478	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)CC1	ZINC000774945145	964154622	/nfs/dbraw/zinc/15/46/22/964154622.db2.gz	GUHAEPJQTKLIIG-INIZCTEOSA-N	1	0	359.470	1.440	20	30		FDEDRO
C=CCC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)nn1	ZINC001185961249	964232203	/nfs/dbraw/zinc/23/22/03/964232203.db2.gz	CWGDQKLMIDXEFE-QKDSSNGWSA-N	1	0	371.485	1.531	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCCO1	ZINC000774962841	964232595	/nfs/dbraw/zinc/23/25/95/964232595.db2.gz	JYVXRTWEEBUPOH-GBESFXJTSA-N	1	0	369.465	1.237	20	30		FDEDRO
C=CCC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3CCO[C@H]3C=C)C2)nn1	ZINC001186007973	964250974	/nfs/dbraw/zinc/25/09/74/964250974.db2.gz	MJKNBDYSCAVCQB-KURKYZTESA-N	1	0	359.474	1.698	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(c2cccc(OC)c2)C1	ZINC001178635971	964331942	/nfs/dbraw/zinc/33/19/42/964331942.db2.gz	OHKHAWWMVPDIGT-RDJZCZTQSA-N	1	0	357.454	1.815	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)C2(C(N)=O)CC2)C1	ZINC001186196840	964346264	/nfs/dbraw/zinc/34/62/64/964346264.db2.gz	VTVRXFPBRIVGJT-NVXWUHKLSA-N	1	0	357.429	1.246	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC12CCOCC2	ZINC001186403043	964474240	/nfs/dbraw/zinc/47/42/40/964474240.db2.gz	ZPTAQSOEYGUMEE-BRWVUGGUSA-N	1	0	356.470	1.381	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](C[NH2+]CCCF)C2(C1)CCOCC2	ZINC001186494293	964521715	/nfs/dbraw/zinc/52/17/15/964521715.db2.gz	KMGIKONBOJKXKY-BBWFWOEESA-N	1	0	354.466	1.782	20	30		FDEDRO
CC(=O)N1CCC([NH+]2CCC(C(=O)N3C[C@@H](F)C[C@H]3C#N)CC2)CC1	ZINC001179013017	964628457	/nfs/dbraw/zinc/62/84/57/964628457.db2.gz	WVIHMIYVUQZMDM-RDJZCZTQSA-N	1	0	350.438	1.172	20	30		FDEDRO
CC(=O)N1CCC([NH+]2CCC(C(=O)N(CCC#N)CCC#N)CC2)CC1	ZINC001179012763	964628638	/nfs/dbraw/zinc/62/86/38/964628638.db2.gz	SOTSWGFNLSRIMH-UHFFFAOYSA-N	1	0	359.474	1.365	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001179081234	964706396	/nfs/dbraw/zinc/70/63/96/964706396.db2.gz	ZGZQXEGNLHASGZ-ZXXIGWHRSA-N	1	0	363.502	1.367	20	30		FDEDRO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1c(Br)cccc1C#N	ZINC001186803216	964728939	/nfs/dbraw/zinc/72/89/39/964728939.db2.gz	AHBSWNRNZGYWDV-NSHDSACASA-N	1	0	351.248	1.877	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+][C@H](CC)c1ccccc1OCC(=O)N1CCCC1	ZINC000775049179	964752495	/nfs/dbraw/zinc/75/24/95/964752495.db2.gz	AJKKFTRXUXSJJX-SJLPKXTDSA-N	1	0	371.481	1.866	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCOC(C)C)[C@@H]2C1	ZINC001186931613	964844906	/nfs/dbraw/zinc/84/49/06/964844906.db2.gz	YSXAADFSQRIDNG-ZWKOTPCHSA-N	1	0	363.502	1.535	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C2	ZINC001110386324	964846178	/nfs/dbraw/zinc/84/61/78/964846178.db2.gz	MSKSAJQPBACDIF-BDXSIMOUSA-N	1	0	362.518	1.227	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2nnc(CC)s2)C1	ZINC000962321781	1013530656	/nfs/dbraw/zinc/53/06/56/1013530656.db2.gz	MYDUITHJZXFHOE-PQAZSJQKSA-N	1	0	350.488	1.676	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCCO3)[C@@H]2C1	ZINC001186959188	964911671	/nfs/dbraw/zinc/91/16/71/964911671.db2.gz	QPPRMZUZHRCIIB-OKZBNKHCSA-N	1	0	361.486	1.289	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]CCCCCCNC(=O)[C@H]1OCC[C@H]1C	ZINC001179620178	964927235	/nfs/dbraw/zinc/92/72/35/964927235.db2.gz	CINIMJNRCCTRDQ-AEFFLSMTSA-N	1	0	366.506	1.440	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCCCC[NH2+][C@H]1CCCN(C)C1=O	ZINC001179797226	964993134	/nfs/dbraw/zinc/99/31/34/964993134.db2.gz	RQLAHFXWHLMBSM-BZSNNMDCSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]21	ZINC001187101170	965012902	/nfs/dbraw/zinc/01/29/02/965012902.db2.gz	JSVXLYVHKMGTKP-OKZBNKHCSA-N	1	0	363.502	1.513	20	30		FDEDRO
C[C@@H](C#N)C(=O)n1c2ncnc-2c(OCc2ccc(C[NH3+])cc2)nc1N	ZINC001179900806	965022300	/nfs/dbraw/zinc/02/23/00/965022300.db2.gz	PNARWLBFAHYVGF-JTQLQIEISA-N	1	0	351.370	1.076	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2nnnn2CCCC)C1	ZINC000962329578	1013540989	/nfs/dbraw/zinc/54/09/89/1013540989.db2.gz	ZFPCZIMZSABZGS-FJBKBRRZSA-N	1	0	362.478	1.049	20	30		FDEDRO
COCC#CC(=O)N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1	ZINC001187125798	965029755	/nfs/dbraw/zinc/02/97/55/965029755.db2.gz	SVZSEZMHNFKARE-LJQANCHMSA-N	1	0	371.481	1.561	20	30		FDEDRO
CC(C)[NH+]1CCN(CC(=O)N2CCN(c3ccccc3C#N)CC2)CC1	ZINC001180342319	965232466	/nfs/dbraw/zinc/23/24/66/965232466.db2.gz	PKANSFVEDHIBSC-UHFFFAOYSA-N	1	0	355.486	1.233	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)CCc1ccc(S(N)(=O)=O)cc1	ZINC001180380836	965263287	/nfs/dbraw/zinc/26/32/87/965263287.db2.gz	QZQMFIHQNFDWCW-HNNXBMFYSA-N	1	0	351.472	1.033	20	30		FDEDRO
CC(C)(C)CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1	ZINC001187456348	965371661	/nfs/dbraw/zinc/37/16/61/965371661.db2.gz	RTNOVUTZEUZDJK-DOTOQJQBSA-N	1	0	371.485	1.585	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]21	ZINC001187473115	965386128	/nfs/dbraw/zinc/38/61/28/965386128.db2.gz	UBWHSWIYIVPQLS-YESZJQIVSA-N	1	0	365.518	1.805	20	30		FDEDRO
C=CCSCC(=O)N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1	ZINC001180559616	965400508	/nfs/dbraw/zinc/40/05/08/965400508.db2.gz	VSUUBIFKZBNDRY-UHFFFAOYSA-N	1	0	364.515	1.735	20	30		FDEDRO
C#CCCCCC(=O)N1CC[C@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]21	ZINC001187591891	965511883	/nfs/dbraw/zinc/51/18/83/965511883.db2.gz	XWRRZJZEFXLZFI-ZWKOTPCHSA-N	1	0	366.527	1.538	20	30		FDEDRO
C[N@@H+]1[C@@H](C(=O)N2CCN(CCC#N)CC2)C[C@]2(C)COc3ccccc3[C@H]12	ZINC001187627224	965576315	/nfs/dbraw/zinc/57/63/15/965576315.db2.gz	PGOZINFAZJKRNI-SLYNCCJLSA-N	1	0	368.481	1.888	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@H+](C[C@H]3COc4ccccc4O3)C[C@H]21	ZINC001187874475	965871242	/nfs/dbraw/zinc/87/12/42/965871242.db2.gz	UXCMENDGKVLKKL-OKZBNKHCSA-N	1	0	370.449	1.399	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(COC)c3)C[C@H]21	ZINC001187882981	965885219	/nfs/dbraw/zinc/88/52/19/965885219.db2.gz	ZBQLSSOWUXQNLG-FFZOFVMBSA-N	1	0	356.466	1.904	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]21	ZINC001187882849	965885293	/nfs/dbraw/zinc/88/52/93/965885293.db2.gz	XVSYOHRKJAOFJI-OKZBNKHCSA-N	1	0	363.502	1.203	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1CC[C@H]2C[N@H+](CCOCCOC)C[C@H]21)OCC	ZINC001188095574	966004683	/nfs/dbraw/zinc/00/46/83/966004683.db2.gz	NTKDAQKECUZHHT-KSZLIROESA-N	1	0	354.491	1.553	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1CC[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]21)OCC	ZINC001188095846	966007950	/nfs/dbraw/zinc/00/79/50/966007950.db2.gz	UKDUCDDFNPZARR-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)COCC3CCCC3)[C@@H]2C1	ZINC001188229792	966139890	/nfs/dbraw/zinc/13/98/90/966139890.db2.gz	AOSFEFGHGFYOGE-BPQIPLTHSA-N	1	0	363.502	1.417	20	30		FDEDRO
COCC#CCN1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1	ZINC001188405490	966299261	/nfs/dbraw/zinc/29/92/61/966299261.db2.gz	IOMCYJMLKSKCBM-QFBILLFUSA-N	1	0	352.438	1.439	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)COCc3nnc(C)s3)[C@@H]2C1	ZINC001188469774	966340446	/nfs/dbraw/zinc/34/04/46/966340446.db2.gz	ASHXXRUVWJIYAE-LSDHHAIUSA-N	1	0	350.488	1.862	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cnc4ccc(C)cn43)[C@@H]2C1	ZINC001188554122	966389987	/nfs/dbraw/zinc/38/99/87/966389987.db2.gz	KAIPJFJWMXBTCS-FUHWJXTLSA-N	1	0	354.454	1.992	20	30		FDEDRO
CCc1nc(C)c(CC(=O)N2CC[C@H]3C[N@H+](CC#CCOC)C[C@H]32)c(C)n1	ZINC001188611213	966424620	/nfs/dbraw/zinc/42/46/20/966424620.db2.gz	VNPBTOGIRDELJJ-PKOBYXMFSA-N	1	0	370.497	1.381	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3COc4cc(C)c(C)cc43)[C@@H]2C1	ZINC001188659000	966461975	/nfs/dbraw/zinc/46/19/75/966461975.db2.gz	QYEDBCKQWGHQJZ-DFQSSKMNSA-N	1	0	368.477	1.962	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CCn3ncn(C)c3=O)[C@@H]2C1	ZINC001188636931	966483693	/nfs/dbraw/zinc/48/36/93/966483693.db2.gz	XGYNBKDIBLKQJG-DLBZAZTESA-N	1	0	361.490	1.251	20	30		FDEDRO
N#CCc1cccc(C(=O)n2ccc(=[NH+]CCN3CCOCC3)c(N)c2)c1	ZINC001188666418	966514207	/nfs/dbraw/zinc/51/42/07/966514207.db2.gz	GGNCZXVSJCBBMW-UHFFFAOYSA-N	1	0	365.437	1.058	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCCNC(=O)C(C)(C)C)[C@@H]2C1	ZINC001188743656	966551170	/nfs/dbraw/zinc/55/11/70/966551170.db2.gz	AOTMYBNMTRJVRF-DLBZAZTESA-N	1	0	363.502	1.111	20	30		FDEDRO
COc1ccc(C#N)c(C(=O)N(c2ccc(C[NH3+])cc2)S(C)(=O)=O)c1	ZINC001189096742	966769623	/nfs/dbraw/zinc/76/96/23/966769623.db2.gz	MHZRRAOZXZIZNY-UHFFFAOYSA-N	1	0	359.407	1.632	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccsc3C)[C@@H]2C1	ZINC001189324617	966911712	/nfs/dbraw/zinc/91/17/12/966911712.db2.gz	KVDXQGOMNRFVCD-XOKHGSTOSA-N	1	0	361.511	1.822	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)[C@@H]2C1	ZINC001189515167	967023962	/nfs/dbraw/zinc/02/39/62/967023962.db2.gz	ZTTKDJYVGNBIQY-IVMMDQJWSA-N	1	0	360.458	1.626	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(C4CCOCC4)nn3)[C@@H]2C1	ZINC001189675074	967141270	/nfs/dbraw/zinc/14/12/70/967141270.db2.gz	CNOCIJVMJFOUID-MAUKXSAKSA-N	1	0	359.474	1.742	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(Cn4cccn4)on3)[C@@H]2C1	ZINC001189683609	967156331	/nfs/dbraw/zinc/15/63/31/967156331.db2.gz	QNPBBRSJRMHYMD-MAUKXSAKSA-N	1	0	371.441	1.268	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(CCCOC)c3)[C@@H]2C1	ZINC001189712229	967203803	/nfs/dbraw/zinc/20/38/03/967203803.db2.gz	DQNJSZMRTTZWNH-FUHWJXTLSA-N	1	0	362.474	1.269	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CCCC(=O)NC(C)C)[C@@H]2C1	ZINC001189851189	967351878	/nfs/dbraw/zinc/35/18/78/967351878.db2.gz	FZKCRFYWUILIIZ-DLBZAZTESA-N	1	0	351.491	1.417	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CCCO[C@H]4CCOC4)C[C@H]32)cn1	ZINC001189850996	967352100	/nfs/dbraw/zinc/35/21/00/967352100.db2.gz	FOTXTKQOLZWBPN-YSIASYRMSA-N	1	0	369.465	1.405	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C1CCOCC1	ZINC000852642154	967493455	/nfs/dbraw/zinc/49/34/55/967493455.db2.gz	IPMPYOZVJVKVCO-JIRNRHONSA-N	1	0	374.529	1.367	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1)C1CCOCC1	ZINC000852645216	967497079	/nfs/dbraw/zinc/49/70/79/967497079.db2.gz	ZRUPYPPTSOAIDZ-LJQANCHMSA-N	1	0	363.502	1.701	20	30		FDEDRO
C#CCC[N@H+](CCOC)CCOc1ccc(S(=O)(=O)N(C)C)cc1	ZINC000852752952	967579705	/nfs/dbraw/zinc/57/97/05/967579705.db2.gz	RPTGWOGGVGURAF-UHFFFAOYSA-N	1	0	354.472	1.287	20	30		FDEDRO
COc1cc(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)ccc1C#N	ZINC000852772457	967595934	/nfs/dbraw/zinc/59/59/34/967595934.db2.gz	KNWALTANUGLUME-RHSMWYFYSA-N	1	0	370.453	1.287	20	30		FDEDRO
COc1cc(C(=O)N2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)ccc1C	ZINC000852817691	967630057	/nfs/dbraw/zinc/63/00/57/967630057.db2.gz	HUIGLJBQXVHZNA-UHFFFAOYSA-N	1	0	369.465	1.291	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCCN(C(=O)Cc2cccc(F)c2)CC1	ZINC000852822166	967633437	/nfs/dbraw/zinc/63/34/37/967633437.db2.gz	KBKMRGQOTREEQP-UHFFFAOYSA-N	1	0	371.456	1.432	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1	ZINC000852823730	967635217	/nfs/dbraw/zinc/63/52/17/967635217.db2.gz	JWRZTOHYMWFSPV-IBGZPJMESA-N	1	0	369.465	1.215	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCC[C@@H](CNC(=O)c2ccccc2)C1	ZINC000852828874	967639564	/nfs/dbraw/zinc/63/95/64/967639564.db2.gz	UGTRNYOQLKWGSY-SFHVURJKSA-N	1	0	353.466	1.658	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N(C)C(C)C	ZINC001110423963	967650522	/nfs/dbraw/zinc/65/05/22/967650522.db2.gz	COSSAIHFTDCHOP-ZACQAIPSSA-N	1	0	351.491	1.558	20	30		FDEDRO
Cc1ccc([C@@H](CN2CCOCC2)NC(=O)C#CC2CC[NH2+]CC2)cc1	ZINC000852856763	967660676	/nfs/dbraw/zinc/66/06/76/967660676.db2.gz	FHBDQWISJWSPKV-HXUWFJFHSA-N	1	0	355.482	1.488	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NCc1cccc(C(=O)Nc2ccncc2)c1	ZINC000852870549	967676504	/nfs/dbraw/zinc/67/65/04/967676504.db2.gz	DULJFANRGMQSMP-UHFFFAOYSA-N	1	0	362.433	1.375	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CS(=O)(=O)NC(C)(C)C)[C@@H]2C1	ZINC001190247760	967695004	/nfs/dbraw/zinc/69/50/04/967695004.db2.gz	VTTJMNNUATXGCF-HRCADAONSA-N	1	0	371.547	1.592	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NC1(CN2CCN(c3ccccc3)CC2)CC1	ZINC000852910664	967700439	/nfs/dbraw/zinc/70/04/39/967700439.db2.gz	YQTWHCZFADFJKA-UHFFFAOYSA-N	1	0	366.509	1.460	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3Cc4cccc(F)c4O3)[C@@H]2C1	ZINC001190262606	967701295	/nfs/dbraw/zinc/70/12/95/967701295.db2.gz	FWIGGDBTXYVNAZ-CGTJXYLNSA-N	1	0	358.413	1.312	20	30		FDEDRO
CCOCCOCC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001190357516	967777457	/nfs/dbraw/zinc/77/74/57/967777457.db2.gz	AQYPHROIXZRPKN-RBUKOAKNSA-N	1	0	357.454	1.644	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc4nonc4c3)C[C@H]21	ZINC001190430923	967843992	/nfs/dbraw/zinc/84/39/92/967843992.db2.gz	QHRPZHMEQRXZKL-MAUKXSAKSA-N	1	0	356.426	1.848	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C(N)=O)c3)C[C@H]21	ZINC001190449716	967876277	/nfs/dbraw/zinc/87/62/77/967876277.db2.gz	COXOMTDETGTZHK-FHLIZLRMSA-N	1	0	357.454	1.409	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)CCCC(N)=O)[C@@H]3C2)cc1C#N	ZINC001190508602	967908913	/nfs/dbraw/zinc/90/89/13/967908913.db2.gz	QHTNXMHXXBHRBD-DOTOQJQBSA-N	1	0	370.453	1.255	20	30		FDEDRO
COc1ccccc1CCNC(=O)CON=C(N)C[NH+]1CCCCCC1	ZINC000111178786	967930485	/nfs/dbraw/zinc/93/04/85/967930485.db2.gz	XCNDWQWINGIXAN-UHFFFAOYSA-N	1	0	362.474	1.519	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cccc4nsnc43)[C@@H]2C1	ZINC001190550900	967947012	/nfs/dbraw/zinc/94/70/12/967947012.db2.gz	KJNJQZAPHYWOGN-DOTOQJQBSA-N	1	0	370.478	1.416	20	30		FDEDRO
C#CCN(CC(=O)N1CC[NH+](C2CCOCC2)CC1)C(=O)OC(C)(C)C	ZINC000829564954	967957789	/nfs/dbraw/zinc/95/77/89/967957789.db2.gz	FJGLKCMFPWDLAY-UHFFFAOYSA-N	1	0	365.474	1.180	20	30		FDEDRO
C#CCCN(CCOC)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1	ZINC000853318308	967968592	/nfs/dbraw/zinc/96/85/92/967968592.db2.gz	ASRHHYKAKUGFLE-UHFFFAOYSA-N	1	0	359.474	1.015	20	30		FDEDRO
C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC001190920018	968196007	/nfs/dbraw/zinc/19/60/07/968196007.db2.gz	BJRQSESBAQVBPX-MJBXVCDLSA-N	1	0	350.381	1.832	20	30		FDEDRO
CCOC(=O)C1(NC(=O)c2ccc(C#CC(C)(C)O)cc2)CC[NH+](C)CC1	ZINC001191188844	968356120	/nfs/dbraw/zinc/35/61/20/968356120.db2.gz	KJMRSBSJTJPKHQ-UHFFFAOYSA-N	1	0	372.465	1.566	20	30		FDEDRO
C#Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@H]2CN2CCOCC2)c1	ZINC001191321282	968445842	/nfs/dbraw/zinc/44/58/42/968445842.db2.gz	ZUAJXZXHAISHFC-SFHVURJKSA-N	1	0	370.453	1.113	20	30		FDEDRO
C[N@H+](CC#Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC001191432118	968509902	/nfs/dbraw/zinc/50/99/02/968509902.db2.gz	ZWUNUHCKAIXKSY-ZJKGHYPUSA-N	1	0	350.462	1.994	20	30		FDEDRO
Cn1cc(-c2cc3c(nn2)CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C3)cn1	ZINC000854127054	968617373	/nfs/dbraw/zinc/61/73/73/968617373.db2.gz	MAIADQNFCBRTIE-FQEVSTJZSA-N	1	0	360.421	1.840	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O	ZINC001191622593	968629200	/nfs/dbraw/zinc/62/92/00/968629200.db2.gz	SGXNUIQJNLJSNN-MGPQQGTHSA-N	1	0	368.396	1.098	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](CCCc2ccc(Cl)cc2)C[C@H]1O	ZINC001191777009	968742235	/nfs/dbraw/zinc/74/22/35/968742235.db2.gz	BXNXYEJCYFIABY-IAGOWNOFSA-N	1	0	352.862	1.637	20	30		FDEDRO
C#CCN(CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C(=O)OC(C)(C)C	ZINC000854306392	968757932	/nfs/dbraw/zinc/75/79/32/968757932.db2.gz	GLMZTESRFMYZNW-MRXNPFEDSA-N	1	0	367.490	1.330	20	30		FDEDRO
CC(C)C#CC(=O)Nc1cccc(S(=O)(=O)NCCCC[NH+](C)C)c1	ZINC000854393473	968840899	/nfs/dbraw/zinc/84/08/99/968840899.db2.gz	HGABLQKRSPURHS-UHFFFAOYSA-N	1	0	365.499	1.905	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CCCCc3ccccc3)C[C@H]2O)c1	ZINC001192036686	968918925	/nfs/dbraw/zinc/91/89/25/968918925.db2.gz	CDKGECAPHZYHBR-RTBURBONSA-N	1	0	352.438	1.684	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CC[C@@H](Oc2cncc(Br)c2)C1	ZINC000854577958	968993652	/nfs/dbraw/zinc/99/36/52/968993652.db2.gz	ANYNWUMVWFLKMV-CYBMUJFWSA-N	1	0	354.248	1.942	20	30		FDEDRO
COc1cc(C#N)ccc1C(=O)N[C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1	ZINC001192273039	969035302	/nfs/dbraw/zinc/03/53/02/969035302.db2.gz	PSOLUIBPMSSGEX-SHTZXODSSA-N	1	0	358.442	1.286	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(CC)cc2)C[C@H]1O	ZINC001192320830	969060450	/nfs/dbraw/zinc/06/04/50/969060450.db2.gz	MRWKLSHLHSFUOY-HSALFYBXSA-N	1	0	358.482	1.637	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@H+](CC[C@@H](C)OCc2ccccc2)C[C@H]1O	ZINC001192503739	969145456	/nfs/dbraw/zinc/14/54/56/969145456.db2.gz	JJUCBLPTCIQCIC-MISYRCLQSA-N	1	0	358.482	1.947	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCCc2cccc(OC)c2)C[C@H]1O	ZINC001192547007	969157368	/nfs/dbraw/zinc/15/73/68/969157368.db2.gz	KXGMETOANREFEQ-QWFCFKBJSA-N	1	0	362.470	1.116	20	30		FDEDRO
COc1cccc(/C=C\CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C2)c1	ZINC001192804782	969307713	/nfs/dbraw/zinc/30/77/13/969307713.db2.gz	IUCBECWJTPUKCF-GIHXKGJKSA-N	1	0	356.466	1.919	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCc2ccc3ccccc3c2)C[C@H]1O	ZINC001192899650	969354678	/nfs/dbraw/zinc/35/46/78/969354678.db2.gz	SHWFSEQSHVLDMH-ZLGUVYLKSA-N	1	0	366.461	1.582	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)N[C@H]1CC[C@H](N2CC[NH+](CC3CC3)CC2)CC1	ZINC001193173895	969502570	/nfs/dbraw/zinc/50/25/70/969502570.db2.gz	WSBFTOMFRBVMFY-XIRDDKMYSA-N	1	0	354.520	1.157	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(=O)CC)C2)C1	ZINC001193148510	969515204	/nfs/dbraw/zinc/51/52/04/969515204.db2.gz	XFCOHNHLALXISP-KZNAEPCWSA-N	1	0	365.518	1.543	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)C2CCCC2)C1	ZINC001193200995	969532388	/nfs/dbraw/zinc/53/23/88/969532388.db2.gz	HEDPZULKKBRICH-IAGOWNOFSA-N	1	0	351.491	1.201	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1CN([C@@H](C)C(=O)NCC(C)C)C[C@H]1O	ZINC001193241035	969569748	/nfs/dbraw/zinc/56/97/48/969569748.db2.gz	OWASBOQYMQUZDO-USXIJHARSA-N	1	0	351.491	1.077	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c3c(nn2C)CCCC3)C1	ZINC001193337439	969642262	/nfs/dbraw/zinc/64/22/62/969642262.db2.gz	PCECIUKHLCMCAW-QZTJIDSGSA-N	1	0	360.502	1.820	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@H]1O	ZINC001193312979	969654022	/nfs/dbraw/zinc/65/40/22/969654022.db2.gz	UQMQHRFVCYERJG-BRWVUGGUSA-N	1	0	366.889	1.530	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1CN(Cc2scnc2C)C[C@H]1O)OCC	ZINC001193422354	969697653	/nfs/dbraw/zinc/69/76/53/969697653.db2.gz	PNJRIRCDESXYFZ-RBSFLKMASA-N	1	0	353.488	1.484	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1	ZINC001193422683	969698171	/nfs/dbraw/zinc/69/81/71/969698171.db2.gz	VTWPMFZMEJJDDC-GVDBMIGSSA-N	1	0	367.534	1.765	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CNC(=O)c2cc(I)ccc2C#N)C1	ZINC001193589506	969752570	/nfs/dbraw/zinc/75/25/70/969752570.db2.gz	LDYCVDXGRYCNPU-JTQLQIEISA-N	1	0	369.206	1.844	20	30		FDEDRO
CC[NH+](CC)C[C@H]1CN(S(=O)(=O)c2cc(OC)ccc2C#N)CCO1	ZINC001193679739	969808160	/nfs/dbraw/zinc/80/81/60/969808160.db2.gz	MXJMEBOWEGWTSH-INIZCTEOSA-N	1	0	367.471	1.298	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCCOCC(F)(F)F)C[C@H]2O)CCC1	ZINC001193711767	969838111	/nfs/dbraw/zinc/83/81/11/969838111.db2.gz	ZQSRTKWZLPNOKN-ZIAGYGMSSA-N	1	0	362.392	1.310	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O	ZINC001193892216	969910619	/nfs/dbraw/zinc/91/06/19/969910619.db2.gz	GJKMWZQMNPNSEU-VAMGGRTRSA-N	1	0	355.482	1.074	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(CC(C)C)CCNC2=O)C1	ZINC001193910629	969920021	/nfs/dbraw/zinc/92/00/21/969920021.db2.gz	DXXBVPKSYLYBPR-HLIPFELVSA-N	1	0	365.518	1.447	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCc2ccc(OC)cc2)C1	ZINC001194359557	970126324	/nfs/dbraw/zinc/12/63/24/970126324.db2.gz	SXWJRFSXYXXREV-ATZDWAIDSA-N	1	0	362.470	1.728	20	30		FDEDRO
CC(=NNC1CCS(=O)(=O)CC1)c1ccc(OCC[NH+](C)C)cc1	ZINC000776792654	970138846	/nfs/dbraw/zinc/13/88/46/970138846.db2.gz	QKRYEAHAQBEULA-UHFFFAOYSA-N	1	0	353.488	1.518	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1	ZINC001194415707	970164830	/nfs/dbraw/zinc/16/48/30/970164830.db2.gz	RZEQWTDRIOEOND-HZPDHXFCSA-N	1	0	365.474	1.844	20	30		FDEDRO
COCCn1cncc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC001194658082	970282472	/nfs/dbraw/zinc/28/24/72/970282472.db2.gz	KHDKVQYPZSFFMJ-UHFFFAOYSA-N	1	0	367.453	1.818	20	30		FDEDRO
O=C(NCC[NH2+]Cc1cnn(-c2ccc(F)cc2)c1)C1N=CC=CC1=O	ZINC000113360982	970410084	/nfs/dbraw/zinc/41/00/84/970410084.db2.gz	SFQNJHYQHQZXTL-ZCXUNETKSA-N	1	0	355.373	1.627	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3c(c2)nnn3C)C1	ZINC001194769181	970414666	/nfs/dbraw/zinc/41/46/66/970414666.db2.gz	GBFHLBYNZWSMEB-HZPDHXFCSA-N	1	0	360.462	1.109	20	30		FDEDRO
C[N@@H+]1CCCN(CCNC(=O)c2ccc(C#CBr)cc2)CC1	ZINC001194817075	970440572	/nfs/dbraw/zinc/44/05/72/970440572.db2.gz	DFCNPXANLDXMHJ-UHFFFAOYSA-N	1	0	364.287	1.758	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1	ZINC001194887206	970530913	/nfs/dbraw/zinc/53/09/13/970530913.db2.gz	OPAZWQJFBWMLAG-QXDIGNSFSA-N	1	0	354.491	1.170	20	30		FDEDRO
C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cnn(C(C)C)c2Cl)C1	ZINC001195010931	970614660	/nfs/dbraw/zinc/61/46/60/970614660.db2.gz	CDYMMEGEUHPZIY-ZIAGYGMSSA-N	1	0	356.854	1.095	20	30		FDEDRO
C#C[C@@H]([NH2+]CCCS(=O)(=O)c1ccc(NC(C)=O)cc1)[C@@H]1CCCO1	ZINC000775798697	972567880	/nfs/dbraw/zinc/56/78/80/972567880.db2.gz	LHWSVPRIHUELQV-MSOLQXFVSA-N	1	0	364.467	1.579	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccccc2)C1	ZINC001198075453	972728263	/nfs/dbraw/zinc/72/82/63/972728263.db2.gz	JHRXMHAKPLSMOJ-QZTJIDSGSA-N	1	0	361.486	1.548	20	30		FDEDRO
CCn1ncc(Cn2c3c(cc(C#N)c2=O)C[N@@H+](Cc2ccccc2)CC3)n1	ZINC000863348512	972840075	/nfs/dbraw/zinc/84/00/75/972840075.db2.gz	YVLWGEWWBJZNIG-UHFFFAOYSA-N	1	0	374.448	1.938	20	30		FDEDRO
C[C@@H]1CCC[C@H](C)[N@H+]1CC(N)=NOCC(=O)NCc1cccc(C#N)c1	ZINC000794529365	972901778	/nfs/dbraw/zinc/90/17/78/972901778.db2.gz	RYGPOUOVCPFOLB-GASCZTMLSA-N	1	0	357.458	1.936	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CO[C@@H](C)c2nccn2C)C1	ZINC001198234102	972924899	/nfs/dbraw/zinc/92/48/99/972924899.db2.gz	RQOSQPXWUBJGTF-GVDBMIGSSA-N	1	0	364.490	1.405	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccc(C)s2)C1	ZINC001198328011	972991202	/nfs/dbraw/zinc/99/12/02/972991202.db2.gz	JYQHNZCOSRUCAW-BPLDGKMQSA-N	1	0	365.499	1.302	20	30		FDEDRO
Cc1nccn1-c1ccc(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)cn1	ZINC000863550627	973005673	/nfs/dbraw/zinc/00/56/73/973005673.db2.gz	BZRFIPFAVSRDTE-QGZVFWFLSA-N	1	0	355.442	1.737	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]CC[S@](=O)Cc2ccccc2)CCOCC1	ZINC000863552161	973009301	/nfs/dbraw/zinc/00/93/01/973009301.db2.gz	KESYLJYIDCHZMS-XDHUDOTRSA-N	1	0	350.484	1.596	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3ccccc3)n2)C1	ZINC001198508532	973235910	/nfs/dbraw/zinc/23/59/10/973235910.db2.gz	WJONAULPLHHEIT-ZTFGCOKTSA-N	1	0	355.442	1.397	20	30		FDEDRO
C=CCOCC[NH2+][C@H](CNC(=O)[C@]12C[C@H]1COC2)c1ccccc1OC	ZINC001198733107	973436519	/nfs/dbraw/zinc/43/65/19/973436519.db2.gz	YCFYJIVOPXDHAB-VPWXQRGCSA-N	1	0	360.454	1.681	20	30		FDEDRO
C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CN(C)C[C@@H](C)O1)c1ccccc1OC	ZINC001198777465	973511377	/nfs/dbraw/zinc/51/13/77/973511377.db2.gz	ZVCNEBZGMZABGP-SZVBFZGTSA-N	1	0	361.486	1.737	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3OCC#N)CC[C@@H]21	ZINC000120318884	973968346	/nfs/dbraw/zinc/96/83/46/973968346.db2.gz	YHDNDAMSIPNKDI-BBRMVZONSA-N	1	0	374.416	1.609	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(c3ccc(C)cc3)CCC2)C1	ZINC001199227242	974042053	/nfs/dbraw/zinc/04/20/53/974042053.db2.gz	UDALFIUBCBLXHX-RTBURBONSA-N	1	0	358.482	1.781	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCc3ccccc3C2)C[C@H]1O	ZINC001199292402	974132329	/nfs/dbraw/zinc/13/23/29/974132329.db2.gz	IZAMHTIZAJSTIR-PWIZWCRZSA-N	1	0	358.482	1.546	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)Cc1ncsc1Br	ZINC000867311048	974144329	/nfs/dbraw/zinc/14/43/29/974144329.db2.gz	FPMZSEYSFIEEBX-UHFFFAOYSA-N	1	0	366.306	1.280	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCCCOc2ccccc2)C[C@H]1O	ZINC001199318008	974184250	/nfs/dbraw/zinc/18/42/50/974184250.db2.gz	IHVWMWCFNDFRSZ-BHIYHBOVSA-N	1	0	362.470	1.598	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)N2CCCC2=O)C1	ZINC001199422753	974240068	/nfs/dbraw/zinc/24/00/68/974240068.db2.gz	STLROSKKFKPVLR-LMMKCTJWSA-N	1	0	367.534	1.765	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(-n3cncn3)c2)C1	ZINC001199414631	974268090	/nfs/dbraw/zinc/26/80/90/974268090.db2.gz	FBUFUQNEJPHGAV-IAGOWNOFSA-N	1	0	370.457	1.184	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)CC2CCCCC2)C1	ZINC001199498705	974304703	/nfs/dbraw/zinc/30/47/03/974304703.db2.gz	RKGTVYVGRAPKFD-CGTJXYLNSA-N	1	0	365.518	1.589	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+][C@@H]1CCN(CCN2CCOCC2)C1	ZINC000865466533	974314117	/nfs/dbraw/zinc/31/41/17/974314117.db2.gz	XMNIWNVSJACSKJ-LJQANCHMSA-N	1	0	357.502	1.120	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+][C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1	ZINC000865522284	974337225	/nfs/dbraw/zinc/33/72/25/974337225.db2.gz	NKZIIFQDRFRYSI-SJLPKXTDSA-N	1	0	363.483	1.450	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]C[C@H](N1CCOCC1)C(F)(F)F	ZINC000865566975	974364188	/nfs/dbraw/zinc/36/41/88/974364188.db2.gz	WUCOODGJOCWIPC-INIZCTEOSA-N	1	0	356.392	1.977	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)[nH]c3c2CCCC3)C1	ZINC001199551434	974391462	/nfs/dbraw/zinc/39/14/62/974391462.db2.gz	NAMVRIAXBQWKBD-MORSLUCNSA-N	1	0	359.470	1.796	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)[nH]1	ZINC001199677606	974456872	/nfs/dbraw/zinc/45/68/72/974456872.db2.gz	AOMUPXBRVQMMBV-IRXDYDNUSA-N	1	0	351.410	1.397	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cc(C#N)ccc1F	ZINC001110546346	974639113	/nfs/dbraw/zinc/63/91/13/974639113.db2.gz	UPJBBWGCTVIALT-QVSURHGTSA-N	1	0	355.413	1.957	20	30		FDEDRO
C=CCOC(=O)N1CCC(CNC(=S)NCC[NH+]2CCCCC2)CC1	ZINC001200445647	974770887	/nfs/dbraw/zinc/77/08/87/974770887.db2.gz	SJQFNPLNNGDIFJ-UHFFFAOYSA-N	1	0	368.547	1.971	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NC)cc1	ZINC001110553195	974785291	/nfs/dbraw/zinc/78/52/91/974785291.db2.gz	BNVCCGWSFSSMDA-NXHRZFHOSA-N	1	0	355.438	1.170	20	30		FDEDRO
C#CCN(CC(=O)NC1CC[NH+](CCCOC)CC1)C(=O)OC(C)(C)C	ZINC000825530534	974809942	/nfs/dbraw/zinc/80/99/42/974809942.db2.gz	OCOVICIXFXUISU-UHFFFAOYSA-N	1	0	367.490	1.474	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]C[C@H](O)CC(F)(F)F)CC1	ZINC001200627862	974847788	/nfs/dbraw/zinc/84/77/88/974847788.db2.gz	HRZPXFPIQUUTQX-KFWWJZLASA-N	1	0	364.408	1.862	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CCCO1	ZINC001200804260	974910532	/nfs/dbraw/zinc/91/05/32/974910532.db2.gz	DDXOJHDRSRMCEY-MCIONIFRSA-N	1	0	366.380	1.116	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@H]1CN(C(=O)[C@H]2OCC[C@H]2C)CCCO1	ZINC001201430636	975046295	/nfs/dbraw/zinc/04/62/95/975046295.db2.gz	QJJXXGJAUPRZQD-XBFCOCLRSA-N	1	0	361.280	1.527	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCOCCC(C)C)C1	ZINC001201439799	975061324	/nfs/dbraw/zinc/06/13/24/975061324.db2.gz	XWZRJLIXQBQQGL-OTWHNJEPSA-N	1	0	368.518	1.847	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc([C@H]3CCCN3C)n[nH]1)C2	ZINC001110579661	975288351	/nfs/dbraw/zinc/28/83/51/975288351.db2.gz	FEPXYLAILDZAFO-RGCFKVTRSA-N	1	0	373.501	1.714	20	30		FDEDRO
C[NH+]1CCN(CCOc2ccc(NC(=O)[C@]3(C#N)CCCOC3)cc2)CC1	ZINC000866189858	975468271	/nfs/dbraw/zinc/46/82/71/975468271.db2.gz	XTGTVLMEEVAVTN-FQEVSTJZSA-N	1	0	372.469	1.572	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1	ZINC000645346158	1014266160	/nfs/dbraw/zinc/26/61/60/1014266160.db2.gz	XBVIXFPOVMMPBK-GOSISDBHSA-N	1	0	359.470	1.217	20	30		FDEDRO
C#C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)C1	ZINC000847560654	975826184	/nfs/dbraw/zinc/82/61/84/975826184.db2.gz	HHUWAEZWPDTPAE-OAHLLOKOSA-N	1	0	370.453	1.387	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1	ZINC000866666660	975889808	/nfs/dbraw/zinc/88/98/08/975889808.db2.gz	UHPZNPJWJMGANG-CEXWTWQISA-N	1	0	357.454	1.991	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1	ZINC000866774913	976027590	/nfs/dbraw/zinc/02/75/90/976027590.db2.gz	SDYJTRQQSDIAPD-DJIMGWMZSA-N	1	0	367.446	1.747	20	30		FDEDRO
C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC[C@H]1CC[N@H+](C)C1	ZINC000847823164	976069697	/nfs/dbraw/zinc/06/96/97/976069697.db2.gz	DDHUPHCVTRFELN-UKRRQHHQSA-N	1	0	365.455	1.110	20	30		FDEDRO
COCCC1(NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)CC[NH2+]CC1	ZINC000866826366	976119196	/nfs/dbraw/zinc/11/91/96/976119196.db2.gz	XLQQTZMKPGRTAD-UHFFFAOYSA-N	1	0	365.499	1.925	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cccc(C#N)c1	ZINC000867580910	976417674	/nfs/dbraw/zinc/41/76/74/976417674.db2.gz	IAUWTFDLVYYMQR-UHFFFAOYSA-N	1	0	351.472	1.537	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1	ZINC000867806599	976903706	/nfs/dbraw/zinc/90/37/06/976903706.db2.gz	ARNORFWZEIEUTI-HIFRSBDPSA-N	1	0	363.439	1.060	20	30		FDEDRO
N#CCCn1cc(C[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)c(-c2ccncc2)n1	ZINC000848577710	976906663	/nfs/dbraw/zinc/90/66/63/976906663.db2.gz	PZOXUNUABSKUKT-QGZVFWFLSA-N	1	0	366.425	1.932	20	30		FDEDRO
CC(C)CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cncc(C#N)c1	ZINC000867864390	977000668	/nfs/dbraw/zinc/00/06/68/977000668.db2.gz	XYFOEJYHTSWHFV-UHFFFAOYSA-N	1	0	350.488	1.942	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)COC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000848774851	977082719	/nfs/dbraw/zinc/08/27/19/977082719.db2.gz	NYJJJMZPFJWJHB-GOSISDBHSA-N	1	0	368.437	1.708	20	30		FDEDRO
Cc1cccc(N(CCC(N)=O)C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)c1	ZINC000867947840	977128289	/nfs/dbraw/zinc/12/82/89/977128289.db2.gz	LKMFYQGMHRRKBY-HXUWFJFHSA-N	1	0	362.433	1.962	20	30		FDEDRO
CNC(=O)C[C@@H](NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)c1ccccc1	ZINC000867976386	977159803	/nfs/dbraw/zinc/15/98/03/977159803.db2.gz	ZZFKEIUJXHVJBT-UYAOXDASSA-N	1	0	362.433	1.739	20	30		FDEDRO
CN(C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)[C@H](CC(N)=O)c1ccccc1	ZINC000867977384	977161322	/nfs/dbraw/zinc/16/13/22/977161322.db2.gz	GFITXHKNDKTXOH-UYAOXDASSA-N	1	0	362.433	1.820	20	30		FDEDRO
C=CCNC(=[NH2+])NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1	ZINC000848994178	977286950	/nfs/dbraw/zinc/28/69/50/977286950.db2.gz	BGBRZLMWTTVBHK-UHFFFAOYSA-N	1	0	354.451	1.669	20	30		FDEDRO
C[NH+]=C(NCc1ccco1)NCc1cccc(C(=O)N2CCOCC2)c1	ZINC000849041890	977292500	/nfs/dbraw/zinc/29/25/00/977292500.db2.gz	PDULLMUFMYEKIR-UHFFFAOYSA-N	1	0	356.426	1.617	20	30		FDEDRO
CC[C@H](C)N[C@@H](CNC(NCCN1CCOCC1)=[NH+]C)c1ccco1	ZINC000849051707	977293345	/nfs/dbraw/zinc/29/33/45/977293345.db2.gz	UVAVSLGAHJSDJG-HOTGVXAUSA-N	1	0	351.495	1.206	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1	ZINC000849078842	977306398	/nfs/dbraw/zinc/30/63/98/977306398.db2.gz	DIRGENVGQLIIFK-UHFFFAOYSA-N	1	0	370.906	1.587	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCOCC3CCC3)=[NH+]C[C@@H]2C1	ZINC000849086228	977308026	/nfs/dbraw/zinc/30/80/26/977308026.db2.gz	DLFSLMJMXFCOMP-OAHLLOKOSA-N	1	0	352.479	1.684	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCOC(F)(F)F)=[NH+]C[C@@H]2C1	ZINC000849090210	977309882	/nfs/dbraw/zinc/30/98/82/977309882.db2.gz	VQAPPNYENVWPHK-SNVBAGLBSA-N	1	0	352.357	1.403	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000849106102	977318998	/nfs/dbraw/zinc/31/89/98/977318998.db2.gz	UNNXEVBDSNQUPF-PMPSAXMXSA-N	1	0	364.490	1.848	20	30		FDEDRO
N#Cc1ccc(NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1F	ZINC000868159466	977327374	/nfs/dbraw/zinc/32/73/74/977327374.db2.gz	WWXPRWJXXDDIBR-CFVMTHIKSA-N	1	0	359.361	1.096	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC[C@H]21	ZINC000868200093	977343357	/nfs/dbraw/zinc/34/33/57/977343357.db2.gz	DJBPKAGGCRYKCI-SJLPKXTDSA-N	1	0	368.485	1.658	20	30		FDEDRO
N#Cc1cccc([C@H](NC(=O)NC[C@H]2C[NH2+]CCCO2)C(F)(F)F)c1	ZINC000868209093	977347023	/nfs/dbraw/zinc/34/70/23/977347023.db2.gz	HDEWQFHAGBDOEL-KGLIPLIRSA-N	1	0	356.348	1.839	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1C#N	ZINC000868252410	977396207	/nfs/dbraw/zinc/39/62/07/977396207.db2.gz	IGFNLFYWVQFMAH-KBPBESRZSA-N	1	0	356.426	1.353	20	30		FDEDRO
CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@]1(C#N)CCCOC1	ZINC000868265989	977416909	/nfs/dbraw/zinc/41/69/09/977416909.db2.gz	MGXRNKLMKFCUQU-NRFANRHFSA-N	1	0	370.497	1.583	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCCC2)cc1	ZINC000108610714	977608485	/nfs/dbraw/zinc/60/84/85/977608485.db2.gz	CYNBIBUDYRIHPF-GOSISDBHSA-N	1	0	357.454	1.874	20	30		FDEDRO
C#CCN1CCN(C(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)CC1	ZINC000849540675	977724337	/nfs/dbraw/zinc/72/43/37/977724337.db2.gz	HOXXTTDDWODGKJ-MOPGFXCFSA-N	1	0	357.502	1.011	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccn(C)c(=O)c1)OCC	ZINC001110612610	977743625	/nfs/dbraw/zinc/74/36/25/977743625.db2.gz	JRDBGFZVHAAYHD-YRXWBPOGSA-N	1	0	373.497	1.978	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1	ZINC000849603449	977830331	/nfs/dbraw/zinc/83/03/31/977830331.db2.gz	FJBZGEUVLFAPLN-AITUJVMLSA-N	1	0	360.502	1.941	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cnc(C(F)(F)F)c(C)c1	ZINC000850460129	978382482	/nfs/dbraw/zinc/38/24/82/978382482.db2.gz	QGXMXFJSSKWFIK-UHFFFAOYSA-N	1	0	356.348	1.419	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N(CC)[C@@H]1CC[N@H+](CC)C1	ZINC000850606978	978475103	/nfs/dbraw/zinc/47/51/03/978475103.db2.gz	DHWHJYCZTONFFM-OAHLLOKOSA-N	1	0	361.417	1.719	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1	ZINC000850686150	978608636	/nfs/dbraw/zinc/60/86/36/978608636.db2.gz	QZHFWECXIHMYEM-QGZVFWFLSA-N	1	0	371.437	1.007	20	30		FDEDRO
Cn1c(Cl)cnc1-c1csc(NC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)n1	ZINC000850754256	978661240	/nfs/dbraw/zinc/66/12/40/978661240.db2.gz	NBCMHLBFQJLTRD-YUMQZZPRSA-N	1	0	351.823	1.430	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(c2cnc(F)cn2)CC1	ZINC001110630326	978876660	/nfs/dbraw/zinc/87/66/60/978876660.db2.gz	WYDRZKPJGMWUOX-GDBMZVCRSA-N	1	0	359.449	1.387	20	30		FDEDRO
N#C[C@H]1CN(C(=O)N[C@H]2C[NH2+]CC[C@H]2c2cccc(F)c2)CCN1C1CC1	ZINC000851673117	978992499	/nfs/dbraw/zinc/99/24/99/978992499.db2.gz	PTXAYARITGBSKT-FHWLQOOXSA-N	1	0	371.460	1.653	20	30		FDEDRO
C#CCN(C(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1)C1CCCCC1	ZINC000851679535	978994674	/nfs/dbraw/zinc/99/46/74/978994674.db2.gz	XQYSGPIIFKSRER-UHFFFAOYSA-N	1	0	362.518	1.955	20	30		FDEDRO
C#CCC1(O)CC[NH+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1	ZINC000880478835	979219628	/nfs/dbraw/zinc/21/96/28/979219628.db2.gz	KWMGBBZZNMTWCD-UHFFFAOYSA-N	1	0	373.472	1.715	20	30		FDEDRO
C#C[C@](C)(CC)[NH2+][C@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1	ZINC000852101287	979351069	/nfs/dbraw/zinc/35/10/69/979351069.db2.gz	OYDPCHJGBXLZBZ-DYESRHJHSA-N	1	0	357.498	1.915	20	30		FDEDRO
C#C[C@](C)(CC)[NH2+][C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852102544	979351102	/nfs/dbraw/zinc/35/11/02/979351102.db2.gz	YYFZVNOKTFDACQ-IIYDPXPESA-N	1	0	351.472	1.291	20	30		FDEDRO
COC(=O)[C@@H]1CN(C(=O)Nc2cc(C#N)c(F)cc2F)CC[N@H+](C)C1	ZINC000880711936	979404476	/nfs/dbraw/zinc/40/44/76/979404476.db2.gz	VWMFGPAINKTKOP-NSHDSACASA-N	1	0	352.341	1.405	20	30		FDEDRO
CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1	ZINC000882492635	980676039	/nfs/dbraw/zinc/67/60/39/980676039.db2.gz	BIFWCJLGJZOFND-HIFRSBDPSA-N	1	0	360.845	1.775	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC1	ZINC000882529740	980703170	/nfs/dbraw/zinc/70/31/70/980703170.db2.gz	VIEZWYHOUATRGT-HNNXBMFYSA-N	1	0	367.490	1.208	20	30		FDEDRO
N#CCc1ccccc1CC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000882634005	980770602	/nfs/dbraw/zinc/77/06/02/980770602.db2.gz	HGFFJQTWLMMFOI-FQEVSTJZSA-N	1	0	370.497	1.208	20	30		FDEDRO
CN(C)c1c(C[NH2+]CCNC(=O)C2N=CC=CC2=O)ccc(F)c1F	ZINC000858137491	981854315	/nfs/dbraw/zinc/85/43/15/981854315.db2.gz	RVNNMRUDFHOOGT-ICFOKQHNSA-N	1	0	350.369	1.647	20	30		FDEDRO
COc1ccc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1OC1CC1	ZINC000858137011	981854760	/nfs/dbraw/zinc/85/47/60/981854760.db2.gz	CVRLDSQVEDKNQM-HNENSFHCSA-N	1	0	357.410	1.852	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)cc1	ZINC000858222417	981924495	/nfs/dbraw/zinc/92/44/95/981924495.db2.gz	PNHUWGRXSCXOPF-OXQOHEQNSA-N	1	0	359.470	1.683	20	30		FDEDRO
COCCN(CC[NH+](C)C)C(=O)Nc1ccc(Br)c(C#N)n1	ZINC000883086752	981933094	/nfs/dbraw/zinc/93/30/94/981933094.db2.gz	DIMHJCBBVISAGT-UHFFFAOYSA-N	1	0	370.251	1.758	20	30		FDEDRO
C=C(C)C[C@@H](CO)NC(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1	ZINC000883111856	981954506	/nfs/dbraw/zinc/95/45/06/981954506.db2.gz	RJUQSLMRTPHUTB-KRWDZBQOSA-N	1	0	361.490	1.350	20	30		FDEDRO
C=CCC[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)[C@@H]1CCCO1	ZINC000883203352	982012302	/nfs/dbraw/zinc/01/23/02/982012302.db2.gz	ZKKVIYYFEANTGH-ULQDDVLXSA-N	1	0	360.520	1.578	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000858394085	982026158	/nfs/dbraw/zinc/02/61/58/982026158.db2.gz	FWJKDGDSCGMFJQ-RTBURBONSA-N	1	0	359.470	1.615	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1ccc(OCC#N)cc1	ZINC000858465700	982065043	/nfs/dbraw/zinc/06/50/43/982065043.db2.gz	LEXYHUPEMHRDSZ-OXQOHEQNSA-N	1	0	359.470	1.855	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N[C@@H]1CCc2nc(C)nn2C1	ZINC000132347162	982311268	/nfs/dbraw/zinc/31/12/68/982311268.db2.gz	AKTUMBJJGWHRGR-ATLSCFEFSA-N	1	0	372.517	1.804	20	30		FDEDRO
CON(C)C(=O)[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000858967086	982413994	/nfs/dbraw/zinc/41/39/94/982413994.db2.gz	FRSXLDIBQHPOTE-HNNXBMFYSA-N	1	0	373.457	1.184	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1	ZINC000859033839	982469926	/nfs/dbraw/zinc/46/99/26/982469926.db2.gz	NRCXMCOPRPWYLL-GOSISDBHSA-N	1	0	359.470	1.481	20	30		FDEDRO
N#CC1(C[C@H](O)CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)CCOCC1	ZINC000859073202	982504366	/nfs/dbraw/zinc/50/43/66/982504366.db2.gz	GCDTZICVSUJFLW-ROUUACIJSA-N	1	0	351.491	1.244	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1	ZINC001006346175	982514484	/nfs/dbraw/zinc/51/44/84/982514484.db2.gz	SDRTVWSDNNOKND-QGTPRVQTSA-N	1	0	363.502	1.273	20	30		FDEDRO
CCOC(=O)N(C)C1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1	ZINC000859115775	982543816	/nfs/dbraw/zinc/54/38/16/982543816.db2.gz	GOPYGBMFKCKEDM-QGZVFWFLSA-N	1	0	361.442	1.851	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCO[C@H]2C=C)CC1	ZINC001202559765	982556773	/nfs/dbraw/zinc/55/67/73/982556773.db2.gz	MTLIACMWINAIQL-MSOLQXFVSA-N	1	0	361.486	1.359	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)C(=O)NC(CC)CC)CC1	ZINC001202559919	982560451	/nfs/dbraw/zinc/56/04/51/982560451.db2.gz	UHQTWOABHIKUEC-QGTPRVQTSA-N	1	0	365.518	1.851	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)CCOCC1	ZINC000859170800	982594894	/nfs/dbraw/zinc/59/48/94/982594894.db2.gz	APHMWUVZRHGMGB-DLBZAZTESA-N	1	0	372.469	1.803	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1cccc2c(C(=O)OC)cccc21	ZINC000859173393	982597374	/nfs/dbraw/zinc/59/73/74/982597374.db2.gz	ZYIAHKRTGIWHLZ-UHFFFAOYSA-N	1	0	374.462	1.860	20	30		FDEDRO
C#CCOCCC(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1	ZINC000133144763	982612132	/nfs/dbraw/zinc/61/21/32/982612132.db2.gz	GUWNSEHRJGDURL-UHFFFAOYSA-N	1	0	357.454	1.168	20	30		FDEDRO
COC(=O)[C@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000859302022	982695919	/nfs/dbraw/zinc/69/59/19/982695919.db2.gz	LVNZOLTVIRFKNT-WFASDCNBSA-N	1	0	364.364	1.485	20	30		FDEDRO
Cc1c(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c(=O)n(-c2ccccc2)n1C	ZINC000884044022	982746369	/nfs/dbraw/zinc/74/63/69/982746369.db2.gz	QUGYMBSVMSQUPS-RDYUPDBUSA-N	1	0	365.437	1.562	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCCN1CCO[C@H](C)C1	ZINC000800133542	982759777	/nfs/dbraw/zinc/75/97/77/982759777.db2.gz	IWKYFWYSCUNRQH-CYBMUJFWSA-N	1	0	371.441	1.414	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1ccccc1C(=O)N1CCOCC1)C2	ZINC000884067054	982813017	/nfs/dbraw/zinc/81/30/17/982813017.db2.gz	SUMKGLRTRZFKPO-RDYUPDBUSA-N	1	0	368.437	1.237	20	30		FDEDRO
COc1ccc2[nH]cc(CCNC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)c2c1	ZINC000884071077	982818648	/nfs/dbraw/zinc/81/86/48/982818648.db2.gz	HTNPEYAIXNPNFB-CHWWFWEZSA-N	1	0	352.438	1.975	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCCN(C(=O)CC3CCCC3)CC1)C2	ZINC000884071802	982819225	/nfs/dbraw/zinc/81/92/25/982819225.db2.gz	HRPRWNOXUMTTEV-IDYZSHNDSA-N	1	0	372.513	1.767	20	30		FDEDRO
CN(C)C(=O)COc1ccc(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc1	ZINC000884073507	982822271	/nfs/dbraw/zinc/82/22/71/982822271.db2.gz	MBULWRSPZNSXLC-BIWSTMPVSA-N	1	0	356.426	1.231	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1cccc(CN3CCCC3=O)c1)C2	ZINC000884080492	982835766	/nfs/dbraw/zinc/83/57/66/982835766.db2.gz	XSDJDXIGJQNFBW-LFDOHDQPSA-N	1	0	352.438	1.887	20	30		FDEDRO
CCOCCOCc1cccc(CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c1	ZINC000884081237	982837269	/nfs/dbraw/zinc/83/72/69/982837269.db2.gz	STNRTDJOCXZZBZ-OBXNSHGQSA-N	1	0	371.481	1.995	20	30		FDEDRO
CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1	ZINC000884115074	982890678	/nfs/dbraw/zinc/89/06/78/982890678.db2.gz	IQIIRVFCUVVLPY-ZSTSXUAQSA-N	1	0	360.502	1.669	20	30		FDEDRO
COC(=O)[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1cc(F)ccc1F	ZINC000884122682	982904878	/nfs/dbraw/zinc/90/48/78/982904878.db2.gz	XCHRFAYTQIMMDY-GVUYRYJJSA-N	1	0	363.364	1.434	20	30		FDEDRO
COC(=O)CC[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccccc1	ZINC000884128556	982910308	/nfs/dbraw/zinc/91/03/08/982910308.db2.gz	HCBSCVLMTDRGMF-RXCRORICSA-N	1	0	355.438	1.936	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c2ccccc2N(C)C1=O	ZINC000884155302	982932892	/nfs/dbraw/zinc/93/28/92/982932892.db2.gz	ZHCCPBJFSSHXOD-MGVZARIASA-N	1	0	352.438	1.771	20	30		FDEDRO
CC(C)(NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1cn(-c2ccccc2)nn1	ZINC000884172022	982945966	/nfs/dbraw/zinc/94/59/66/982945966.db2.gz	KGMAMXFAGTUWSV-CHWWFWEZSA-N	1	0	364.453	1.758	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1	ZINC000884186418	982961955	/nfs/dbraw/zinc/96/19/55/982961955.db2.gz	ZHSZTPZFHZYEIS-LPHOPBHVSA-N	1	0	373.497	1.981	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(OCC(F)(F)F)nc1)C2	ZINC000884186571	982962825	/nfs/dbraw/zinc/96/28/25/982962825.db2.gz	DJJKBMKWQBOVBV-UYJPIKCFSA-N	1	0	368.359	1.778	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCC[C@@H]1C(=O)Nc1nccs1)C2	ZINC000884192780	982968579	/nfs/dbraw/zinc/96/85/79/982968579.db2.gz	NWWCATIFZVIPRX-SBUZTJRASA-N	1	0	359.455	1.212	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(N3CCSCC3)cc1)C2	ZINC000884194555	982970862	/nfs/dbraw/zinc/97/08/62/982970862.db2.gz	MEOLWBQCJQAJSW-OHTSDLOESA-N	1	0	370.522	1.995	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N1CCC[N@H+](CC2CCCCC2)CC1	ZINC000884197607	982972890	/nfs/dbraw/zinc/97/28/90/982972890.db2.gz	YRTNUXMWVRFDTM-KRWDZBQOSA-N	1	0	351.491	1.548	20	30		FDEDRO
Cn1cc(C[NH2+]C2CC[NH+](CC(=O)[O-])CC2)c(-c2ccc(C#N)cc2)n1	ZINC001119038435	982974532	/nfs/dbraw/zinc/97/45/32/982974532.db2.gz	DLUHEOBORXEYDX-UHFFFAOYSA-N	1	0	353.426	1.597	20	30		FDEDRO
C[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccc(N2CCOCC2)cc1	ZINC000884203317	982978658	/nfs/dbraw/zinc/97/86/58/982978658.db2.gz	TYZIMUHSZHLAHI-XTIMDLJNSA-N	1	0	368.481	1.840	20	30		FDEDRO
COc1ccccc1CN1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1	ZINC000884210478	982987145	/nfs/dbraw/zinc/98/71/45/982987145.db2.gz	AUQBCUFRRUWWLZ-WBTXTPOCSA-N	1	0	368.481	1.479	20	30		FDEDRO
N#Cc1cccnc1NCCNC(=O)Nc1ccc2c(c1)OCC[NH2+]C2	ZINC000859757538	983001826	/nfs/dbraw/zinc/00/18/26/983001826.db2.gz	IUDVMGRMHWEOHR-UHFFFAOYSA-N	1	0	352.398	1.669	20	30		FDEDRO
COc1ccccc1N1CC[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1	ZINC000884228541	983003026	/nfs/dbraw/zinc/00/30/26/983003026.db2.gz	SGKZTGQYVKHTSI-FZTQNYJHSA-N	1	0	354.454	1.529	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1	ZINC000884279898	983050663	/nfs/dbraw/zinc/05/06/63/983050663.db2.gz	XKTMNRHGXUWRKT-LSDHHAIUSA-N	1	0	351.834	1.260	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCCCN3C[C@@H]2C)CC1	ZINC000332497687	983064219	/nfs/dbraw/zinc/06/42/19/983064219.db2.gz	ZISOMLMZXFTZKF-WMZOPIPTSA-N	1	0	362.518	1.228	20	30		FDEDRO
C[C@@H](c1nccs1)N1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1	ZINC000884321244	983082791	/nfs/dbraw/zinc/08/27/91/983082791.db2.gz	JOXQNMLXFVDUFB-YOFIQYCBSA-N	1	0	359.499	1.488	20	30		FDEDRO
C=CC[C@@H]1N(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CCCC1(C)C	ZINC000332634914	983090041	/nfs/dbraw/zinc/09/00/41/983090041.db2.gz	FEZLPMWBCPSWSQ-IRXDYDNUSA-N	1	0	362.518	1.086	20	30		FDEDRO
Cn1c(CCNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)nnc1-c1ccccc1	ZINC000884332134	983091594	/nfs/dbraw/zinc/09/15/94/983091594.db2.gz	GABFIKMWTVRDGU-LFDOHDQPSA-N	1	0	364.453	1.280	20	30		FDEDRO
Cn1c(CCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)nnc1-c1ccccc1	ZINC000884332135	983091838	/nfs/dbraw/zinc/09/18/38/983091838.db2.gz	GABFIKMWTVRDGU-NGEICVOHSA-N	1	0	364.453	1.280	20	30		FDEDRO
C[C@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CCN1Cc1ccccc1	ZINC000884427119	983149855	/nfs/dbraw/zinc/14/98/55/983149855.db2.gz	IFNMRFFJVDFRTI-WHMCQKABSA-N	1	0	352.482	1.859	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCN(c3cccc4[nH]ccc43)CC1)C2	ZINC000884436810	983154816	/nfs/dbraw/zinc/15/48/16/983154816.db2.gz	OTYTWJAGSHTMLH-ZGOJQLDESA-N	1	0	363.465	1.956	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1)c1ccc(C#N)cc1	ZINC000884541645	983233030	/nfs/dbraw/zinc/23/30/30/983233030.db2.gz	KCXYYEVYKMNPKB-XOBRGWDASA-N	1	0	356.470	1.959	20	30		FDEDRO
CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)C1	ZINC000884585561	983261633	/nfs/dbraw/zinc/26/16/33/983261633.db2.gz	NWKJGNPFARJQCY-LJQANCHMSA-N	1	0	360.433	1.537	20	30		FDEDRO
CCCc1c(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])cnn1-c1cccc(C#N)c1	ZINC000861541471	983770755	/nfs/dbraw/zinc/77/07/55/983770755.db2.gz	CKJJVTIYEYMRKL-ZDUSSCGKSA-N	1	0	368.441	1.441	20	30		FDEDRO
C=CCC(C)(C)CNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1	ZINC000861634998	983798011	/nfs/dbraw/zinc/79/80/11/983798011.db2.gz	WQXRIPFLQSPVJO-CABCVRRESA-N	1	0	350.463	1.555	20	30		FDEDRO
C#CC[C@@H]1CCN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1	ZINC000888512679	983801428	/nfs/dbraw/zinc/80/14/28/983801428.db2.gz	HFCFMXWGTDBFTE-QGZVFWFLSA-N	1	0	362.518	1.668	20	30		FDEDRO
C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	ZINC000861752812	983901022	/nfs/dbraw/zinc/90/10/22/983901022.db2.gz	KQSBLPCUQSNYDB-LBPRGKRZSA-N	1	0	356.451	1.709	20	30		FDEDRO
C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C[C@H]21	ZINC000861914950	983990641	/nfs/dbraw/zinc/99/06/41/983990641.db2.gz	YCIKHRORFIMVCU-QXSJWSMHSA-N	1	0	364.490	1.982	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1	ZINC000862091318	984104925	/nfs/dbraw/zinc/10/49/25/984104925.db2.gz	IOKVYOCTNJXLNN-MRXNPFEDSA-N	1	0	373.428	1.909	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C	ZINC000862194756	984231934	/nfs/dbraw/zinc/23/19/34/984231934.db2.gz	HPUMLHOTVXTXAO-BBRMVZONSA-N	1	0	359.426	1.165	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000862311596	984322767	/nfs/dbraw/zinc/32/27/67/984322767.db2.gz	PCWSILOFWMHDOI-KBPBESRZSA-N	1	0	362.492	1.201	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N[C@@H](C(=O)OCC)[C@H](O)c1ccc(Cl)cc1	ZINC000862332503	984333353	/nfs/dbraw/zinc/33/33/53/984333353.db2.gz	JBESSZHCABCNQR-HUUCEWRRSA-N	1	0	354.834	1.539	20	30		FDEDRO
CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1	ZINC000862551471	984410097	/nfs/dbraw/zinc/41/00/97/984410097.db2.gz	NDVADBSLIYUPSW-GOEBONIOSA-N	1	0	351.472	1.739	20	30		FDEDRO
C[C@H](CNC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1)N1C[C@@H](C)O[C@@H](C)C1	ZINC000868750108	984583614	/nfs/dbraw/zinc/58/36/14/984583614.db2.gz	CWWHKQHUJXWCCP-BKEDOTJMSA-N	1	0	356.470	1.822	20	30		FDEDRO
N#C[C@]1(C(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)CCCOC1	ZINC000868879955	984663303	/nfs/dbraw/zinc/66/33/03/984663303.db2.gz	QZGUYFLAUNIYNU-LJQANCHMSA-N	1	0	357.454	1.450	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000884818611	984828876	/nfs/dbraw/zinc/82/88/76/984828876.db2.gz	JEVSOWNDEXKYTK-UHFFFAOYSA-N	1	0	367.490	1.733	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCOc3ccccc3[C@@H]2C(=O)OC)CC1	ZINC000884851734	984881514	/nfs/dbraw/zinc/88/15/14/984881514.db2.gz	LLWYGMCTJDGLFV-GOSISDBHSA-N	1	0	356.422	1.467	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)NC1CC[NH+]([C@H]3CCC[C@H]3O)CC1)C2	ZINC000869188381	984932197	/nfs/dbraw/zinc/93/21/97/984932197.db2.gz	HNLOWLSDMPQRGW-HSALFYBXSA-N	1	0	368.481	1.702	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2	ZINC000885149842	985204274	/nfs/dbraw/zinc/20/42/74/985204274.db2.gz	CNJZDZRNEFOPSD-SFHVURJKSA-N	1	0	371.481	1.476	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN(C(=O)Cn1cnc(C#N)n1)Cc1ccccc12	ZINC000870183545	985779029	/nfs/dbraw/zinc/77/90/29/985779029.db2.gz	GEHHRCDAJNNVSN-UHFFFAOYSA-N	1	0	350.426	1.156	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CCOC4(CCOCC4)C3)C2=O)cc1	ZINC000886089708	985871099	/nfs/dbraw/zinc/87/10/99/985871099.db2.gz	IAQXMIVVFQVFEU-OALUTQOASA-N	1	0	369.465	1.977	20	30		FDEDRO
C#CC[C@H]1CC[N@@H+](CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)C1	ZINC000886356441	986094237	/nfs/dbraw/zinc/09/42/37/986094237.db2.gz	ZXFXAVFHJRLXDE-SFHVURJKSA-N	1	0	359.514	1.973	20	30		FDEDRO
C#CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)C1	ZINC000886361723	986100159	/nfs/dbraw/zinc/10/01/59/986100159.db2.gz	SQFFDIKISSUOPX-UYAOXDASSA-N	1	0	369.509	1.869	20	30		FDEDRO
C#CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C1	ZINC000886361514	986100553	/nfs/dbraw/zinc/10/05/53/986100553.db2.gz	KJIMRDVTUMDZEB-ZIAGYGMSSA-N	1	0	357.410	1.840	20	30		FDEDRO
C#CC[C@@H]1CC[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1	ZINC000886363911	986103157	/nfs/dbraw/zinc/10/31/57/986103157.db2.gz	ICYPCHVLOZBRKQ-SJORKVTESA-N	1	0	356.495	1.802	20	30		FDEDRO
C#CC[C@H]1CC[N@@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000886364283	986103358	/nfs/dbraw/zinc/10/33/58/986103358.db2.gz	VKJIYEQMOAWREN-FXAWDEMLSA-N	1	0	368.456	1.880	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N(C)CCC[N@H+](C)Cc2ccncc2)cc1C#N	ZINC000886424927	986200589	/nfs/dbraw/zinc/20/05/89/986200589.db2.gz	KLJKBDAWTWJFBH-UHFFFAOYSA-N	1	0	373.482	1.799	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+][C@]1(CO)CCCN(C(=O)OC(C)(C)C)C1	ZINC000886430391	986211007	/nfs/dbraw/zinc/21/10/07/986211007.db2.gz	LXWDMSRXOPKVFZ-LJQANCHMSA-N	1	0	369.506	1.763	20	30		FDEDRO
C#CCN(C(=O)C(=O)Nc1ccc(Cl)c(F)c1)C1CC[NH+](C)CC1	ZINC000886575579	986376156	/nfs/dbraw/zinc/37/61/56/986376156.db2.gz	AQQMRCFGXDYEQG-UHFFFAOYSA-N	1	0	351.809	1.974	20	30		FDEDRO
C#CCN(C(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1)C1CC[NH+](C)CC1	ZINC000886587226	986393072	/nfs/dbraw/zinc/39/30/72/986393072.db2.gz	MPQUFRRDOSZXKW-UHFFFAOYSA-N	1	0	363.483	1.120	20	30		FDEDRO
C#CCN(C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)C1CC[NH+](C)CC1	ZINC000886589383	986396896	/nfs/dbraw/zinc/39/68/96/986396896.db2.gz	SWOWVHVNZWIJHL-UHFFFAOYSA-N	1	0	359.382	1.551	20	30		FDEDRO
C#CCOc1ccc([C@@H](C)[NH2+]CCc2nnc3c(=O)n(C)ccn23)cc1	ZINC000886696190	986480868	/nfs/dbraw/zinc/48/08/68/986480868.db2.gz	ITYPMERORKVOAZ-CQSZACIVSA-N	1	0	351.410	1.333	20	30		FDEDRO
C=CCC[C@@H](COc1ccccc1)[NH2+]CCc1nnc2c(=O)n(C)ccn12	ZINC000886702072	986485604	/nfs/dbraw/zinc/48/56/04/986485604.db2.gz	ZUXUUGWESGCPIV-INIZCTEOSA-N	1	0	367.453	1.974	20	30		FDEDRO
N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cnn(-c2cccc(F)c2)c1C(F)(F)F	ZINC000870940319	986525975	/nfs/dbraw/zinc/52/59/75/986525975.db2.gz	IJPATXPGFLNRLZ-RNCFNFMXSA-N	1	0	367.306	1.872	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)c3cc([C@H]4CC[NH2+]C4)n[nH]3)CC2)cc1	ZINC000870981156	986558620	/nfs/dbraw/zinc/55/86/20/986558620.db2.gz	FCOWRUCHKMDHAF-HNNXBMFYSA-N	1	0	350.426	1.321	20	30		FDEDRO
Cn1c(-c2cccc(C#N)c2)nnc1N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000871042267	986607292	/nfs/dbraw/zinc/60/72/92/986607292.db2.gz	APAOKIQUCIDXKD-UHFFFAOYSA-N	1	0	365.485	1.570	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(C(=O)N(CC#N)CCC(=O)OC)cc2)CC1	ZINC000871340457	986909918	/nfs/dbraw/zinc/90/99/18/986909918.db2.gz	DNLOQNQQOQWVNM-UHFFFAOYSA-N	1	0	358.442	1.357	20	30		FDEDRO
COC(=O)CCN(CC#N)C(=O)CC[NH+]1CCN(c2ccccc2)CC1	ZINC000871342895	986911909	/nfs/dbraw/zinc/91/19/09/986911909.db2.gz	VEHGEDOLGSZYRC-UHFFFAOYSA-N	1	0	358.442	1.114	20	30		FDEDRO
Cn1c(N2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)c(C#N)c(=O)n(C)c1=O	ZINC000871666287	987186168	/nfs/dbraw/zinc/18/61/68/987186168.db2.gz	BHWPRDMPTJUIFW-XJKSGUPXSA-N	1	0	359.474	1.080	20	30		FDEDRO
N#Cc1c(Cn2cnc3c(cnn3C3CC[NH2+]CC3)c2=O)cn2ccccc12	ZINC000871676717	987191017	/nfs/dbraw/zinc/19/10/17/987191017.db2.gz	GSBPMWORHNLSPM-UHFFFAOYSA-N	1	0	373.420	1.690	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c(C#N)c1	ZINC000871805009	987250525	/nfs/dbraw/zinc/25/05/25/987250525.db2.gz	KUANOEGYUISKSW-IRXDYDNUSA-N	1	0	363.483	1.774	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)cc1Br	ZINC000871820456	987275461	/nfs/dbraw/zinc/27/54/61/987275461.db2.gz	PHLDBWIZJXKPSS-KBPBESRZSA-N	1	0	370.272	1.884	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1	ZINC000872223037	987524910	/nfs/dbraw/zinc/52/49/10/987524910.db2.gz	LZOJZPQOYNPVKJ-BZUAXINKSA-N	1	0	354.495	1.618	20	30		FDEDRO
COC[C@@H]([NH2+]C[C@H](O)CN(C)CCC#N)c1cccc(Br)c1	ZINC000872235924	987534918	/nfs/dbraw/zinc/53/49/18/987534918.db2.gz	DFSXXYDHCLJFMV-JKSUJKDBSA-N	1	0	370.291	1.933	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCOC(F)(F)C(F)(F)F)nc1	ZINC000872244019	987538903	/nfs/dbraw/zinc/53/89/03/987538903.db2.gz	AAFLIYHUGYDDAM-UHFFFAOYSA-N	1	0	373.303	1.488	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(c3cc(C(N)=O)nc(Cl)n3)CC2)cc1	ZINC000872398589	987632566	/nfs/dbraw/zinc/63/25/66/987632566.db2.gz	YGZHFWWQNXBDKU-UHFFFAOYSA-N	1	0	370.844	1.813	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c(C#N)c1	ZINC000872448185	987668292	/nfs/dbraw/zinc/66/82/92/987668292.db2.gz	BFVRXACTJSHLHK-QGZVFWFLSA-N	1	0	363.483	1.788	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	ZINC000872484649	987710645	/nfs/dbraw/zinc/71/06/45/987710645.db2.gz	RNQWAFRSGFWQFI-UHFFFAOYSA-N	1	0	350.488	1.171	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292958706	987944938	/nfs/dbraw/zinc/94/49/38/987944938.db2.gz	KDUCVPAUIJRAKI-MRXNPFEDSA-N	1	0	361.446	1.084	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)C[C@H](O)Cc2ccccc2)CC1	ZINC000293161808	987980226	/nfs/dbraw/zinc/98/02/26/987980226.db2.gz	CJFPLZVYYZJQLC-WOJBJXKFSA-N	1	0	372.513	1.214	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(CN3C(=O)N[C@@](C)(c4cccc(C#N)c4)C3=O)CC[C@@H]21	ZINC000872725024	988010586	/nfs/dbraw/zinc/01/05/86/988010586.db2.gz	BFRWOHWHURYJAE-SYNHAJSKSA-N	1	0	367.453	1.309	20	30		FDEDRO
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@H+]2CCC[C@H](O)CC2)CC1	ZINC000293309704	988029207	/nfs/dbraw/zinc/02/92/07/988029207.db2.gz	WZGZDRAIHZRYSX-RBUKOAKNSA-N	1	0	374.460	1.381	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[NH+]2CCC(CC(=O)N3CCOCC3)CC2)cc1	ZINC000360899603	988197928	/nfs/dbraw/zinc/19/79/28/988197928.db2.gz	UZHRLAZEJWNLAH-IBGZPJMESA-N	1	0	357.454	1.553	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)CC2)cn1	ZINC000872902395	988262906	/nfs/dbraw/zinc/26/29/06/988262906.db2.gz	NTNWWWFWFLYMPX-QGZVFWFLSA-N	1	0	354.458	1.269	20	30		FDEDRO
CC(=O)N1CCC[C@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1	ZINC000361069273	988264713	/nfs/dbraw/zinc/26/47/13/988264713.db2.gz	SNBHQMUREOJLTG-IBGZPJMESA-N	1	0	368.481	1.919	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1	ZINC000872926798	988294030	/nfs/dbraw/zinc/29/40/30/988294030.db2.gz	KSRANUBKCUFFEF-INIZCTEOSA-N	1	0	356.474	1.515	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000872930818	988300988	/nfs/dbraw/zinc/30/09/88/988300988.db2.gz	PPIVNPMDDGIPEX-QGZVFWFLSA-N	1	0	352.523	1.685	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C#N)cn2)C[N@@H+]1Cc1ccccc1	ZINC000294096408	988305011	/nfs/dbraw/zinc/30/50/11/988305011.db2.gz	MYFGZNPLWVFDOX-PBHICJAKSA-N	1	0	363.421	1.671	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC000872965891	988346642	/nfs/dbraw/zinc/34/66/42/988346642.db2.gz	NTLZVYBDOSRKTE-MRXNPFEDSA-N	1	0	351.491	1.153	20	30		FDEDRO
CN(C(=O)CN1CCC[N@@H+](C2CCOCC2)CC1)C1(C#N)CCCCC1	ZINC000361461156	988386918	/nfs/dbraw/zinc/38/69/18/988386918.db2.gz	HDURHRWWSZVGPN-UHFFFAOYSA-N	1	0	362.518	1.858	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H](C#N)Cc3ccc(C#N)cc3)CC2)C1	ZINC000366201134	988534608	/nfs/dbraw/zinc/53/46/08/988534608.db2.gz	HJOQENOXKYFOLQ-PMACEKPBSA-N	1	0	365.481	1.479	20	30		FDEDRO
C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(CCN3CCOCC3)C2)cc1	ZINC000366300040	988606021	/nfs/dbraw/zinc/60/60/21/988606021.db2.gz	PZPPDZWVKAQHSM-ICSRJNTNSA-N	1	0	357.498	1.756	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC2(C[C@@H]2C(=O)N2CCCC2)CC1	ZINC000362341273	988637691	/nfs/dbraw/zinc/63/76/91/988637691.db2.gz	NBTKGTCNDYBZEV-DLBZAZTESA-N	1	0	360.502	1.719	20	30		FDEDRO
CC(C)C[N@@H+]1CCCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1	ZINC000362639759	988693232	/nfs/dbraw/zinc/69/32/32/988693232.db2.gz	MTDCQRIFQLYUSK-IBGZPJMESA-N	1	0	363.550	1.342	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCC[C@@]23CCOC3)CC1	ZINC000367456543	988952218	/nfs/dbraw/zinc/95/22/18/988952218.db2.gz	BZJFNCLRWGWTKC-APWZRJJASA-N	1	0	374.510	1.712	20	30		FDEDRO
N#Cc1ccc(SCC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1	ZINC000363217588	989001408	/nfs/dbraw/zinc/00/14/08/989001408.db2.gz	ACUWFGMSUCIKLT-QGZVFWFLSA-N	1	0	374.510	1.173	20	30		FDEDRO
CN1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2CCc2ccccc2)C[C@@H]1C#N	ZINC000368700325	989004059	/nfs/dbraw/zinc/00/40/59/989004059.db2.gz	QURLEJATFZTCCK-OALUTQOASA-N	1	0	355.486	1.543	20	30		FDEDRO
C[C@@H]1C[C@H](CNC(=O)N2CCN(C)[C@H](C#N)C2)C[N@@H+]1Cc1ccccc1	ZINC000368707479	989005515	/nfs/dbraw/zinc/00/55/15/989005515.db2.gz	QVRHCHGBUDLAAA-BHIYHBOVSA-N	1	0	355.486	1.746	20	30		FDEDRO
CCCN1CC[NH+](C2CCN(CC(=O)N(CC)C[C@H](C)C#N)CC2)CC1	ZINC000369155965	989032169	/nfs/dbraw/zinc/03/21/69/989032169.db2.gz	NODFGKXUPZKYFZ-GOSISDBHSA-N	1	0	363.550	1.487	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1	ZINC000369590452	989062041	/nfs/dbraw/zinc/06/20/41/989062041.db2.gz	FELLEWHJZDGQNM-SFHVURJKSA-N	1	0	353.466	1.639	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)c(F)c(F)c2F)CC1	ZINC000873733684	989086243	/nfs/dbraw/zinc/08/62/43/989086243.db2.gz	BYAVDGVQBLLHOL-UHFFFAOYSA-N	1	0	359.323	1.948	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)cc1C#N	ZINC000873763063	989135823	/nfs/dbraw/zinc/13/58/23/989135823.db2.gz	MQHKUBOSANDVAC-UHFFFAOYSA-N	1	0	370.409	1.689	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CCc2nc(-c3ccccn3)no2)CC1	ZINC000369757156	989148867	/nfs/dbraw/zinc/14/88/67/989148867.db2.gz	KHTNNCJAXOGWJY-UHFFFAOYSA-N	1	0	353.426	1.668	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(Cc3noc(C)n3)C2)CC1	ZINC000363400457	989164988	/nfs/dbraw/zinc/16/49/88/989164988.db2.gz	KYIXZKDGGZDLMH-MRXNPFEDSA-N	1	0	362.478	1.292	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000363402504	989166792	/nfs/dbraw/zinc/16/67/92/989166792.db2.gz	MICJQAIDTBBSEZ-ZWKOTPCHSA-N	1	0	359.470	1.992	20	30		FDEDRO
N#Cc1cccc(CCNC(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)c1	ZINC000369862930	989250720	/nfs/dbraw/zinc/25/07/20/989250720.db2.gz	JYIMOPVREJQYDW-RBUKOAKNSA-N	1	0	356.470	1.901	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1cccc(F)c1	ZINC000363519377	989267554	/nfs/dbraw/zinc/26/75/54/989267554.db2.gz	GJBMYNRAMTYZNE-ZWKOTPCHSA-N	1	0	359.449	1.810	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(F)c1	ZINC000873842174	989302126	/nfs/dbraw/zinc/30/21/26/989302126.db2.gz	AXMIDVBGRZLZIV-UHFFFAOYSA-N	1	0	362.449	1.941	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cc1	ZINC000296836326	989432712	/nfs/dbraw/zinc/43/27/12/989432712.db2.gz	LPAKIFWHQVHKEK-KRWDZBQOSA-N	1	0	358.486	1.524	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N(C)CCc1nc(-c2ccccc2)no1	ZINC000296896749	989447204	/nfs/dbraw/zinc/44/72/04/989447204.db2.gz	MSQQDELGDHISTH-UHFFFAOYSA-N	1	0	355.442	1.876	20	30		FDEDRO
C#CC[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1	ZINC000873927532	989466114	/nfs/dbraw/zinc/46/61/14/989466114.db2.gz	FMDUGAHUKGEZCK-OAHLLOKOSA-N	1	0	357.458	1.350	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1	ZINC000297163572	989487994	/nfs/dbraw/zinc/48/79/94/989487994.db2.gz	AGSALMQGLKQNRE-HXUWFJFHSA-N	1	0	361.461	1.717	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc(C#N)c1C	ZINC000873971677	989549849	/nfs/dbraw/zinc/54/98/49/989549849.db2.gz	PQYSGSNZMPWEDG-UHFFFAOYSA-N	1	0	372.469	1.622	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c(OC)c1	ZINC000370223932	989562124	/nfs/dbraw/zinc/56/21/24/989562124.db2.gz	WSQRBKMZDMEVCS-XLSPSMHOSA-N	1	0	374.481	1.749	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)cc1	ZINC000364438653	989568787	/nfs/dbraw/zinc/56/87/87/989568787.db2.gz	FBDMXQQLJXDOAI-KKSFZXQISA-N	1	0	363.417	1.894	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000297612690	989579121	/nfs/dbraw/zinc/57/91/21/989579121.db2.gz	VEKLQFSASXQSQQ-CALCHBBNSA-N	1	0	363.502	1.535	20	30		FDEDRO
CN(C[C@@H]1CC[N@H+](C)C1)C(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000364520111	989615124	/nfs/dbraw/zinc/61/51/24/989615124.db2.gz	VIIXQDCRDQEEGF-QZTJIDSGSA-N	1	0	354.454	1.459	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1C#N	ZINC000364751679	989763929	/nfs/dbraw/zinc/76/39/29/989763929.db2.gz	APKVTOKMCNIACW-OAHLLOKOSA-N	1	0	369.469	1.090	20	30		FDEDRO
CC#CCN(C)C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000297949553	989791731	/nfs/dbraw/zinc/79/17/31/989791731.db2.gz	VYJYHFILKXUPOI-UHFFFAOYSA-N	1	0	358.486	1.872	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1	ZINC000364790087	989792430	/nfs/dbraw/zinc/79/24/30/989792430.db2.gz	BSPCTDRMCZOATC-KRWDZBQOSA-N	1	0	373.453	1.516	20	30		FDEDRO
N#Cc1cccc(-c2cc(C(=O)N[C@H](CO)C[NH+]3CCCCC3)on2)c1	ZINC000298162850	989935647	/nfs/dbraw/zinc/93/56/47/989935647.db2.gz	DQLIDXVSPHCPQW-INIZCTEOSA-N	1	0	354.410	1.790	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)[C@H](C)C(=O)N1CCC(C(N)=O)CC1	ZINC000298249492	989988476	/nfs/dbraw/zinc/98/84/76/989988476.db2.gz	TXVPEFNOXXCFPU-OAHLLOKOSA-N	1	0	354.454	1.659	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1	ZINC000298260004	989994593	/nfs/dbraw/zinc/99/45/93/989994593.db2.gz	FUJUSKGRYWRDJI-NRFANRHFSA-N	1	0	371.481	1.764	20	30		FDEDRO
C[NH+](C)CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)CC(C)(C)C#N	ZINC000298262121	989996097	/nfs/dbraw/zinc/99/60/97/989996097.db2.gz	GDZVMAJFZTWKPA-QGZVFWFLSA-N	1	0	356.470	1.558	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)cc1	ZINC000370900972	990105859	/nfs/dbraw/zinc/10/58/59/990105859.db2.gz	UWHSNTMVBHFHOM-QZTJIDSGSA-N	1	0	357.454	1.775	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N(C)CC[N@H+](C)C1CC1	ZINC000298483941	990127385	/nfs/dbraw/zinc/12/73/85/990127385.db2.gz	XQLKBMMOTFVYOO-UHFFFAOYSA-N	1	0	356.470	1.849	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C)CC1	ZINC000874436530	990277724	/nfs/dbraw/zinc/27/77/24/990277724.db2.gz	JRJHKFUBVITCGP-INIZCTEOSA-N	1	0	366.506	1.304	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1	ZINC000365552789	990288715	/nfs/dbraw/zinc/28/87/15/990288715.db2.gz	ZOLNHPLDMANHSA-JZXOWHBKSA-N	1	0	352.438	1.748	20	30		FDEDRO
CO/N=C/c1ccc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1	ZINC000371355804	990378513	/nfs/dbraw/zinc/37/85/13/990378513.db2.gz	SBCUUTBOUMLVMU-ARMOGDTMSA-N	1	0	358.486	1.765	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1	ZINC000371424740	990421570	/nfs/dbraw/zinc/42/15/70/990421570.db2.gz	PJIVQZYZGSHSCW-LJQANCHMSA-N	1	0	368.481	1.233	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC3(CC2)NC(=O)C2(CCCCC2)N3)CC1	ZINC000371467775	990453873	/nfs/dbraw/zinc/45/38/73/990453873.db2.gz	JLJDZUCPVIVJMF-UHFFFAOYSA-N	1	0	372.513	1.073	20	30		FDEDRO
C[N@@H+]1C[C@@H](NC(=O)CCNC(=O)C2N=CC=CC2=O)[C@@H](c2ccccc2)C1	ZINC000371529723	990505954	/nfs/dbraw/zinc/50/59/54/990505954.db2.gz	UPNUZZVRSPSQFW-WZHXCRBMSA-N	1	0	368.437	1.117	20	30		FDEDRO
C[N@@H+]1C[C@H](NC(=O)CCNC(=O)C2N=CC=CC2=O)[C@@H](c2ccccc2)C1	ZINC000371529721	990506225	/nfs/dbraw/zinc/50/62/25/990506225.db2.gz	UPNUZZVRSPSQFW-SBOQUQFBSA-N	1	0	368.437	1.117	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)cc1	ZINC000371664465	990609566	/nfs/dbraw/zinc/60/95/66/990609566.db2.gz	UFWPFGONPBLCSV-HXUWFJFHSA-N	1	0	371.529	1.533	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)NC[C@H](c1ccc(CC)cc1)[NH+](C)C	ZINC000874993623	990694675	/nfs/dbraw/zinc/69/46/75/990694675.db2.gz	FWPFUJNHKKRWOO-ZWKOTPCHSA-N	1	0	359.470	1.122	20	30		FDEDRO
C[C@@H](C(=O)N(CCCc1ccccc1)CC[NH+](C)C)n1cnc(C#N)n1	ZINC000409738400	990797746	/nfs/dbraw/zinc/79/77/46/990797746.db2.gz	FNKWQOSDYGYFDT-INIZCTEOSA-N	1	0	354.458	1.734	20	30		FDEDRO
CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccn(-c2cccc(C#N)c2)n1	ZINC000409796042	990834191	/nfs/dbraw/zinc/83/41/91/990834191.db2.gz	PNCBBHCVGDHOHT-KRWDZBQOSA-N	1	0	355.442	1.831	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C	ZINC000875107424	990904836	/nfs/dbraw/zinc/90/48/36/990904836.db2.gz	RIADNGRWVGOCRQ-QZTJIDSGSA-N	1	0	359.470	1.259	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1	ZINC000875122362	990926320	/nfs/dbraw/zinc/92/63/20/990926320.db2.gz	MSNSMCZWIYYHFC-CVEARBPZSA-N	1	0	351.491	1.158	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1	ZINC000875122765	990927404	/nfs/dbraw/zinc/92/74/04/990927404.db2.gz	OSQPQGXBJRWNLV-BPQIPLTHSA-N	1	0	357.454	1.093	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000372218564	990967603	/nfs/dbraw/zinc/96/76/03/990967603.db2.gz	PMRYHHLJHCQZIG-SXGZJXTBSA-N	1	0	367.453	1.526	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1	ZINC000372289034	990997184	/nfs/dbraw/zinc/99/71/84/990997184.db2.gz	WJQKKGXAXQYOIF-OALUTQOASA-N	1	0	368.481	1.603	20	30		FDEDRO
CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1	ZINC000372289683	990998344	/nfs/dbraw/zinc/99/83/44/990998344.db2.gz	QMAVLYYBPHWRFB-SJORKVTESA-N	1	0	359.426	1.929	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1	ZINC000875176377	991011047	/nfs/dbraw/zinc/01/10/47/991011047.db2.gz	ZVKOFJBVIQBVLS-YTQUADARSA-N	1	0	371.481	1.310	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCC(=O)Nc1ccc(C#N)cc1	ZINC000372339894	991024213	/nfs/dbraw/zinc/02/42/13/991024213.db2.gz	XDYMMVVMBCHPOR-AYOQOUSVSA-N	1	0	356.470	1.976	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1	ZINC000372362168	991041406	/nfs/dbraw/zinc/04/14/06/991041406.db2.gz	VKKHBTYDBGDHPK-LPHOPBHVSA-N	1	0	368.481	1.091	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1	ZINC000875198382	991054837	/nfs/dbraw/zinc/05/48/37/991054837.db2.gz	MPCKNMMIMUGWHP-CVEARBPZSA-N	1	0	351.491	1.158	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1	ZINC000875198383	991055314	/nfs/dbraw/zinc/05/53/14/991055314.db2.gz	MPCKNMMIMUGWHP-HOTGVXAUSA-N	1	0	351.491	1.158	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CNC(=O)C#Cc2ccc3c(c2)OCO3)[C@@H]1c1cccnc1	ZINC000372408119	991083370	/nfs/dbraw/zinc/08/33/70/991083370.db2.gz	GBPWKRJSGLUPQP-UWJYYQICSA-N	1	0	363.417	1.971	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2	ZINC000372558412	991212444	/nfs/dbraw/zinc/21/24/44/991212444.db2.gz	SXRNNOYRMGVYHZ-ZSOGYDGISA-N	1	0	366.462	1.518	20	30		FDEDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F	ZINC000875270906	991233910	/nfs/dbraw/zinc/23/39/10/991233910.db2.gz	AUYURIXIIQZOOO-LSDHHAIUSA-N	1	0	369.391	1.707	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)c1	ZINC000372578149	991237700	/nfs/dbraw/zinc/23/77/00/991237700.db2.gz	KDAOJSYXDZTHEV-NVXWUHKLSA-N	1	0	356.426	1.114	20	30		FDEDRO
C=CCN(C(=O)Cn1ccc(=O)[nH]c1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000372597406	991256024	/nfs/dbraw/zinc/25/60/24/991256024.db2.gz	ARTCKXKHGSKVKZ-KRWDZBQOSA-N	1	0	368.437	1.238	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1	ZINC000410440578	991376316	/nfs/dbraw/zinc/37/63/16/991376316.db2.gz	XNAMIISIZRQWJM-QZTJIDSGSA-N	1	0	364.534	1.428	20	30		FDEDRO
N#CCCCOc1cccnc1NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000372721905	991398656	/nfs/dbraw/zinc/39/86/56/991398656.db2.gz	FDZWCDJFZYTGGI-HUUCEWRRSA-N	1	0	359.430	1.749	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1	ZINC000875386974	991444536	/nfs/dbraw/zinc/44/45/36/991444536.db2.gz	WHDYUVJUYXQWDI-HITAIPBASA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1	ZINC000875455852	991572561	/nfs/dbraw/zinc/57/25/61/991572561.db2.gz	TYJJMPDIUZWSPV-KRWDZBQOSA-N	1	0	351.491	1.609	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1	ZINC000875558087	991732748	/nfs/dbraw/zinc/73/27/48/991732748.db2.gz	QQCLGWOGXCNUPH-CVEARBPZSA-N	1	0	353.426	1.974	20	30		FDEDRO
C=CCN1CC[C@@H](N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(C)nc(C)c2)C3)C1=O	ZINC001095471290	991841864	/nfs/dbraw/zinc/84/18/64/991841864.db2.gz	BVFLPARVNQFYLF-YDZRNGNQSA-N	1	0	368.481	1.820	20	30		FDEDRO
CSC[C@](C)(C#N)NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1	ZINC000875714974	991933457	/nfs/dbraw/zinc/93/34/57/991933457.db2.gz	YVSNHPUKGZCLGY-JZXOWHBKSA-N	1	0	363.531	1.995	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1	ZINC000410908790	991992757	/nfs/dbraw/zinc/99/27/57/991992757.db2.gz	JINBCIMSLMULAK-GOSISDBHSA-N	1	0	365.518	1.762	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1	ZINC000875913814	992185383	/nfs/dbraw/zinc/18/53/83/992185383.db2.gz	IAQURJWUHFMWKP-RBUKOAKNSA-N	1	0	359.470	1.133	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000875914536	992186356	/nfs/dbraw/zinc/18/63/56/992186356.db2.gz	YAVOCOPBIFGYPJ-CTNGQTDRSA-N	1	0	373.497	1.693	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000875916705	992188685	/nfs/dbraw/zinc/18/86/85/992188685.db2.gz	MEGVTBBRNMBGNQ-FUHWJXTLSA-N	1	0	350.507	1.225	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000875925084	992197422	/nfs/dbraw/zinc/19/74/22/992197422.db2.gz	ZZALQPOTFGKVDB-GUDVDZBRSA-N	1	0	359.470	1.207	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N(C)C1CC[NH+](CC(=O)N2CCCC2)CC1	ZINC000373436932	992220426	/nfs/dbraw/zinc/22/04/26/992220426.db2.gz	XTYWSEFCTQFBON-FQEVSTJZSA-N	1	0	365.518	1.760	20	30		FDEDRO
C[NH+]1CCC(O)(CNC(=O)NC2CCN(c3ccccc3C#N)CC2)CC1	ZINC000876002423	992248617	/nfs/dbraw/zinc/24/86/17/992248617.db2.gz	DMSOLOZQAPRBQF-UHFFFAOYSA-N	1	0	371.485	1.283	20	30		FDEDRO
C[NH+](C)CCOC1CCN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1	ZINC000876278704	992519545	/nfs/dbraw/zinc/51/95/45/992519545.db2.gz	KKKIEOBLBIKUOR-GOSISDBHSA-N	1	0	356.470	1.778	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1	ZINC000876279594	992520089	/nfs/dbraw/zinc/52/00/89/992520089.db2.gz	RACYRYMISKHUSG-GOSISDBHSA-N	1	0	356.470	1.514	20	30		FDEDRO
CC[C@@H](C)[C@@H](NC(N)=O)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000374046463	992572108	/nfs/dbraw/zinc/57/21/08/992572108.db2.gz	VDHSWPBFPMPLGU-NVXWUHKLSA-N	1	0	371.485	1.744	20	30		FDEDRO
C#C[C@@H]([NH2+]Cc1cn(C)nc1CN1C(=O)c2ccccc2C1=O)C(C)C	ZINC000825878933	992613480	/nfs/dbraw/zinc/61/34/80/992613480.db2.gz	XBHWTPMPEWMBHV-QGZVFWFLSA-N	1	0	350.422	1.964	20	30		FDEDRO
CN1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)CC1=O	ZINC001095491963	992649764	/nfs/dbraw/zinc/64/97/64/992649764.db2.gz	NTMHMQHAPPIWLH-MHORFTMASA-N	1	0	352.438	1.258	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC)C1	ZINC000374170176	992670039	/nfs/dbraw/zinc/67/00/39/992670039.db2.gz	IIGQHUXUFXZBEV-CWRNSKLLSA-N	1	0	359.426	1.275	20	30		FDEDRO
COC(=O)[C@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)CC[N@H+](C)C1	ZINC000411925159	992706210	/nfs/dbraw/zinc/70/62/10/992706210.db2.gz	ZBHFCJAQYHQMRB-OAHLLOKOSA-N	1	0	370.371	1.973	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cc(S(=O)(=O)N(C)C)cc(C)c1C	ZINC000876563471	992707139	/nfs/dbraw/zinc/70/71/39/992707139.db2.gz	IHQDCLHMRVKWRF-CYBMUJFWSA-N	1	0	359.879	1.962	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C[C@H](C(F)(F)F)O1	ZINC000876684956	992793789	/nfs/dbraw/zinc/79/37/89/992793789.db2.gz	LMDHUDIBTRBLLS-VCTAVGKDSA-N	1	0	353.344	1.923	20	30		FDEDRO
N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)NCC[N@@H+]1CCc2ccccc2C1	ZINC000876722822	992836795	/nfs/dbraw/zinc/83/67/95/992836795.db2.gz	GANHXRZLVKDUKF-NRFANRHFSA-N	1	0	360.461	1.920	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1	ZINC000876753113	992874205	/nfs/dbraw/zinc/87/42/05/992874205.db2.gz	IMZJRFYUBTWGMH-BMFZPTHFSA-N	1	0	370.925	1.295	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCN(Cc2cc(OC)cc(OC)c2)C1	ZINC000876775723	992901183	/nfs/dbraw/zinc/90/11/83/992901183.db2.gz	DURIYYBHIQEWKG-YOEHRIQHSA-N	1	0	367.877	1.864	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCN(Cc2nc([C@H](C)OC)no2)CC1	ZINC000876779891	992905172	/nfs/dbraw/zinc/90/51/72/992905172.db2.gz	DAJGBUITHIZWLG-QWHCGFSZSA-N	1	0	371.869	1.281	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)s1	ZINC000876849609	992937391	/nfs/dbraw/zinc/93/73/91/992937391.db2.gz	VFSZGMSAOMNFAR-MQIPJXDCSA-N	1	0	371.528	1.258	20	30		FDEDRO
CC[C@@H]1CN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CCN1CC(F)F	ZINC000876888739	992950275	/nfs/dbraw/zinc/95/02/75/992950275.db2.gz	FKUJYBPRVIUXOR-CRAIPNDOSA-N	1	0	362.424	1.933	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cccc(N2CCN(C(C)=O)CC2)c1	ZINC000876895505	992954972	/nfs/dbraw/zinc/95/49/72/992954972.db2.gz	CMHZXSYSWSWQNR-MRXNPFEDSA-N	1	0	350.850	1.764	20	30		FDEDRO
N#Cc1c[nH]c2cc(C(=O)NC3CCC(N4CC[NH2+]CC4)CC3)ccc12	ZINC000876913583	992965128	/nfs/dbraw/zinc/96/51/28/992965128.db2.gz	JDEWWTPTKCTBAU-UHFFFAOYSA-N	1	0	351.454	1.986	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1	ZINC000876992718	992998199	/nfs/dbraw/zinc/99/81/99/992998199.db2.gz	ILHWUIZWSNYNSS-CABCVRRESA-N	1	0	372.874	1.460	20	30		FDEDRO
COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+]C2CCC(C#N)CC2)cc1	ZINC000877095035	993043880	/nfs/dbraw/zinc/04/38/80/993043880.db2.gz	VBKCWUNDHPKSBU-UHFFFAOYSA-N	1	0	364.467	1.946	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@](O)(c1nccn1C)C(F)(F)F	ZINC000877148477	993072330	/nfs/dbraw/zinc/07/23/30/993072330.db2.gz	MDLJRUCNIGVRPT-DOMZBBRYSA-N	1	0	360.380	1.859	20	30		FDEDRO
CNC(=O)CO[C@H]1COC2(C1)CC[NH+](Cc1ccc(OCC#N)cc1)CC2	ZINC001137116448	993080260	/nfs/dbraw/zinc/08/02/60/993080260.db2.gz	DZDNWJSPXLONFS-GOSISDBHSA-N	1	0	373.453	1.475	20	30		FDEDRO
CN(CCc1cccc(C#N)c1)C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1	ZINC000877224442	993115029	/nfs/dbraw/zinc/11/50/29/993115029.db2.gz	XTGICKPMQRIISR-QGZVFWFLSA-N	1	0	352.442	1.779	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1nc(C)nc1C	ZINC001095537931	993300117	/nfs/dbraw/zinc/30/01/17/993300117.db2.gz	PJVFJISJIFTIHM-SQNIBIBYSA-N	1	0	368.485	1.918	20	30		FDEDRO
N#Cc1cnc(Cl)c(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c1	ZINC000877654060	993412335	/nfs/dbraw/zinc/41/23/35/993412335.db2.gz	VAVXLEDKINVXCD-ZDUSSCGKSA-N	1	0	354.805	1.413	20	30		FDEDRO
N#Cc1cnc(Cl)c(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)c1	ZINC000877658952	993418385	/nfs/dbraw/zinc/41/83/85/993418385.db2.gz	ZFPPXLNQSAJCMG-KRWDZBQOSA-N	1	0	357.845	1.992	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1CN1CCN(CCc2cnccn2)CC1	ZINC000877703738	993456005	/nfs/dbraw/zinc/45/60/05/993456005.db2.gz	RSNNBNSESCWKRC-UHFFFAOYSA-N	1	0	350.470	1.775	20	30		FDEDRO
COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000877726762	993482112	/nfs/dbraw/zinc/48/21/12/993482112.db2.gz	MXCNLDJXDLWSCD-IEBWSBKVSA-N	1	0	357.454	1.690	20	30		FDEDRO
CC(=O)[C@@](C#N)(CCN1CCC[C@@H](N2CCNC2=O)C1)c1ccccc1	ZINC000878106623	993714000	/nfs/dbraw/zinc/71/40/00/993714000.db2.gz	LKVXUWJCFDMQMS-QUCCMNQESA-N	1	0	354.454	1.917	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)c1	ZINC000923675553	993989487	/nfs/dbraw/zinc/98/94/87/993989487.db2.gz	CVGYZONROBEAHY-SJLPKXTDSA-N	1	0	363.483	1.413	20	30		FDEDRO
C[NH+](C)CCCOc1ccc(NC(=O)N[C@H]2CCCN(O)C2=O)cc1	ZINC000878660121	994097436	/nfs/dbraw/zinc/09/74/36/994097436.db2.gz	OXXASYUCNGCLNJ-HNNXBMFYSA-N	1	0	350.419	1.519	20	30		FDEDRO
C#CCO[C@H](C)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1	ZINC000826071932	994161317	/nfs/dbraw/zinc/16/13/17/994161317.db2.gz	KWRLLYNSHDLNMU-QAPCUYQASA-N	1	0	357.454	1.830	20	30		FDEDRO
N#CCc1ccccc1S(=O)(=O)NCCCCCN1CC[NH2+]CC1	ZINC000923679193	994232530	/nfs/dbraw/zinc/23/25/30/994232530.db2.gz	ARMJIWRIILHDBJ-UHFFFAOYSA-N	1	0	350.488	1.106	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+][C@H]1CCCN(C)C1=O)C2	ZINC000965159417	1015863941	/nfs/dbraw/zinc/86/39/41/1015863941.db2.gz	DIHHSUMSLJHQTP-AXGZNRHMSA-N	1	0	361.486	1.215	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1cn(CC)nn1)C2	ZINC000965160641	1015864515	/nfs/dbraw/zinc/86/45/15/1015864515.db2.gz	NLLFZBJNUGJZPZ-JUTOSJBISA-N	1	0	359.474	1.406	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)CC1	ZINC000879092686	994533909	/nfs/dbraw/zinc/53/39/09/994533909.db2.gz	USKWFEDWVCLRDU-MJGOQNOKSA-N	1	0	361.873	1.537	20	30		FDEDRO
C[C@@H](CC(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cc(C#N)ccc1F	ZINC001110893313	994597667	/nfs/dbraw/zinc/59/76/67/994597667.db2.gz	FMUMSJGCFZLQBI-WQFMGJDKSA-N	1	0	358.417	1.430	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC[C@H]21	ZINC000879202702	994630809	/nfs/dbraw/zinc/63/08/09/994630809.db2.gz	NEAIRIDDIRCYEJ-GOEBONIOSA-N	1	0	351.414	1.697	20	30		FDEDRO
C=CC[NH+]1CCC(N2C(=O)N[C@H]([C@@H](O)c3ccc(Cl)cc3)C2=O)CC1	ZINC000924596932	994865183	/nfs/dbraw/zinc/86/51/83/994865183.db2.gz	ASPTWXAAHXGJSH-CVEARBPZSA-N	1	0	363.845	1.944	20	30		FDEDRO
COC(=O)C[C@](C)([NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C1CC1	ZINC000879442083	994915745	/nfs/dbraw/zinc/91/57/45/994915745.db2.gz	NCICQPWVJFKRSQ-LPHOPBHVSA-N	1	0	364.490	1.000	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@@H](Cc2cccnc2)C2CCCC2)CC1	ZINC000879674757	995161619	/nfs/dbraw/zinc/16/16/19/995161619.db2.gz	RHKXWMGKHNSPJQ-FQEVSTJZSA-N	1	0	354.498	1.550	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccnn1C	ZINC000879685455	995172757	/nfs/dbraw/zinc/17/27/57/995172757.db2.gz	HGLDSPSFGXKIKJ-ZBFHGGJFSA-N	1	0	372.498	1.541	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@H+]2Cc3cccnc3N3CCC[C@H]3C2)CCOCC1	ZINC000879692747	995186888	/nfs/dbraw/zinc/18/68/88/995186888.db2.gz	CWGDKEZRYJJKAY-ROUUACIJSA-N	1	0	356.470	1.937	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)n1	ZINC000925164874	995354746	/nfs/dbraw/zinc/35/47/46/995354746.db2.gz	XJTWLPNFTNQFEU-DLBZAZTESA-N	1	0	361.515	1.628	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(Cc2ccc(CN3CC[NH+](C)CC3)cc2)C1=O	ZINC000925277514	995447368	/nfs/dbraw/zinc/44/73/68/995447368.db2.gz	UDTDBZPHSARDCB-SFHVURJKSA-N	1	0	372.469	1.057	20	30		FDEDRO
CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H]2C(=O)NCC23CCOCC3)ccc1OC	ZINC000925398639	995558239	/nfs/dbraw/zinc/55/82/39/995558239.db2.gz	ZWBDPUKLLXXQTN-MAUKXSAKSA-N	1	0	373.453	1.761	20	30		FDEDRO
Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCNC(=O)C2N=CC=CC2=O)n(C)n1	ZINC000925415506	995577544	/nfs/dbraw/zinc/57/75/44/995577544.db2.gz	RUOKXERHVLZLPK-YEHYNYCHSA-N	1	0	357.458	1.556	20	30		FDEDRO
C#CCC1(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)CCOCC1	ZINC000925428536	995590211	/nfs/dbraw/zinc/59/02/11/995590211.db2.gz	KQMNPZSMXFPWRZ-UHFFFAOYSA-N	1	0	355.482	1.887	20	30		FDEDRO
N#Cc1ccc(NC(=O)CCN2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)cc1Cl	ZINC000880071705	995609700	/nfs/dbraw/zinc/60/97/00/995609700.db2.gz	HZZQMRAAPSKOJU-JKSUJKDBSA-N	1	0	362.861	1.681	20	30		FDEDRO
Cc1oc(NC(=O)CN2CCC[C@@H]([NH2+]C3CCOCC3)C2)c(C#N)c1C	ZINC000880209812	995723056	/nfs/dbraw/zinc/72/30/56/995723056.db2.gz	GWCFETFDKAFRHI-MRXNPFEDSA-N	1	0	360.458	1.940	20	30		FDEDRO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[NH+]2CCC(F)CC2)CC1	ZINC000880240245	995745848	/nfs/dbraw/zinc/74/58/48/995745848.db2.gz	RCJZPMMRAQYTPH-HNNXBMFYSA-N	1	0	350.463	1.891	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)C2	ZINC000926146895	995938063	/nfs/dbraw/zinc/93/80/63/995938063.db2.gz	IAJCPOYCFIWFKC-XCJLJZCSSA-N	1	0	370.497	1.834	20	30		FDEDRO
C=CCn1cc2ccc(NC(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)cc2n1	ZINC000926223587	995980242	/nfs/dbraw/zinc/98/02/42/995980242.db2.gz	IVCXVICMOUUHHJ-QGZVFWFLSA-N	1	0	354.458	1.734	20	30		FDEDRO
CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)COc3ccc(C#N)cc3)C2)[C@H]1C(C)C	ZINC000926262668	996006957	/nfs/dbraw/zinc/00/69/57/996006957.db2.gz	JFBOFYOHFRAWSI-UKAVVXHISA-N	1	0	371.481	1.923	20	30		FDEDRO
CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)COc3ccc(C#N)cc3)C2)[C@@H]1C(C)C	ZINC000926262666	996007076	/nfs/dbraw/zinc/00/70/76/996007076.db2.gz	JFBOFYOHFRAWSI-QCFAMHMHSA-N	1	0	371.481	1.923	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1ccc(S(=O)(=O)CC(N)=O)cc1	ZINC000926529859	996199356	/nfs/dbraw/zinc/19/93/56/996199356.db2.gz	BJPLFMGHOQMMFE-WQVCFCJDSA-N	1	0	352.456	1.330	20	30		FDEDRO
C#C[C@@H]1COCCN1C(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1	ZINC000926789888	996303797	/nfs/dbraw/zinc/30/37/97/996303797.db2.gz	WOOWUGSXOFLDET-LJQANCHMSA-N	1	0	371.481	1.711	20	30		FDEDRO
CCO[C@H](CNC(=O)N1CCN(c2ccccc2C#N)CC1)C[NH+](C)C	ZINC000926833223	996330299	/nfs/dbraw/zinc/33/02/99/996330299.db2.gz	NXEMJSLNGGNSFI-QGZVFWFLSA-N	1	0	359.474	1.357	20	30		FDEDRO
CCN(C(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)[C@H]1CC[NH2+]C1	ZINC000887004441	996819320	/nfs/dbraw/zinc/81/93/20/996819320.db2.gz	NVXMBKWRQTXKLA-AWEZNQCLSA-N	1	0	369.450	1.831	20	30		FDEDRO
N#CCOc1cccc(NC(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)c1	ZINC000887036967	996855703	/nfs/dbraw/zinc/85/57/03/996855703.db2.gz	RGPRMZCAFOANBN-LJQANCHMSA-N	1	0	356.426	1.520	20	30		FDEDRO
C[C@H](C#N)OCC[N@@H+]1C[C@@H]2CC[C@H]1[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12	ZINC000887112459	996942554	/nfs/dbraw/zinc/94/25/54/996942554.db2.gz	ZJZXHOSRJIGYEO-VINWQNLFSA-N	1	0	367.449	1.811	20	30		FDEDRO
C#CCC1([NH2+]CCN2CCN(C(=O)OC(C)(C)C)CC2)CCOCC1	ZINC000887122003	996953458	/nfs/dbraw/zinc/95/34/58/996953458.db2.gz	GQNKSAKFQUQQJH-UHFFFAOYSA-N	1	0	351.491	1.701	20	30		FDEDRO
C#CCC1([NH2+]Cc2nnc3n2c2ccccc2c(=O)n3CC)CCOCC1	ZINC000887123424	996954328	/nfs/dbraw/zinc/95/43/28/996954328.db2.gz	OMFILCHSRRBBFZ-UHFFFAOYSA-N	1	0	365.437	1.726	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)Nc2ccccc2N2CCCC2=O)CCOCC1	ZINC000887127335	996956223	/nfs/dbraw/zinc/95/62/23/996956223.db2.gz	NEHJYGLVSHNEEV-UHFFFAOYSA-N	1	0	355.438	1.914	20	30		FDEDRO
C[C@@H]1CN(c2cc[nH+]cc2)CCN1CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000887134298	996961085	/nfs/dbraw/zinc/96/10/85/996961085.db2.gz	HCIOMEBNTFKBLJ-OAHLLOKOSA-N	1	0	371.466	1.333	20	30		FDEDRO
C=CCC1(O)CCN([C@H]2CC(=O)N(c3ccc(OC)cc3OC)C2=O)CC1	ZINC000887305975	997137894	/nfs/dbraw/zinc/13/78/94/997137894.db2.gz	FBZWCJUMBGKXRM-INIZCTEOSA-N	1	0	374.437	1.739	20	30		FDEDRO
C#CCOc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1	ZINC000796482591	1016110874	/nfs/dbraw/zinc/11/08/74/1016110874.db2.gz	NSUKBHIDJLHPJS-WMZOPIPTSA-N	1	0	350.484	1.896	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@@H](N2CCC[C@@H](c3ccnc(N)n3)C2)C1=O	ZINC000334018694	997310772	/nfs/dbraw/zinc/31/07/72/997310772.db2.gz	CARCKGZGTNYMKL-UKRRQHHQSA-N	1	0	368.466	1.977	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@@H](N2CCC[C@H](c3ccnc(N)n3)C2)C1=O	ZINC000334018692	997311446	/nfs/dbraw/zinc/31/14/46/997311446.db2.gz	CARCKGZGTNYMKL-DZGCQCFKSA-N	1	0	368.466	1.977	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[C@@H]1C[NH+](C)C	ZINC000263897590	997344808	/nfs/dbraw/zinc/34/48/08/997344808.db2.gz	BGCSZGFERZUJGD-MRXNPFEDSA-N	1	0	354.458	1.703	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)c(OC)c1	ZINC000264056757	997389623	/nfs/dbraw/zinc/38/96/23/997389623.db2.gz	BGQLIXUUCKOZSL-UHFFFAOYSA-N	1	0	356.430	1.131	20	30		FDEDRO
CN(C)[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)c1ccc(F)cc1	ZINC000264066338	997393219	/nfs/dbraw/zinc/39/32/19/997393219.db2.gz	BIJXGGBPRNTUCC-QGZVFWFLSA-N	1	0	371.464	1.355	20	30		FDEDRO
CCCOc1ncccc1CNC(=[NH2+])NC1CCN(C(=O)OCC)CC1	ZINC000264119770	997405243	/nfs/dbraw/zinc/40/52/43/997405243.db2.gz	UQEWFRYCZLTCQN-UHFFFAOYSA-N	1	0	363.462	1.896	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NCCCn2nc3n(c2=O)CCCC3)cc1OC	ZINC000264136837	997411434	/nfs/dbraw/zinc/41/14/34/997411434.db2.gz	ZZMPKEGDLLEYLQ-UHFFFAOYSA-N	1	0	374.445	1.215	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(CC(=O)OC)cc2)CC1	ZINC000264370154	997482947	/nfs/dbraw/zinc/48/29/47/997482947.db2.gz	JJJLHGNZQKBDAK-UHFFFAOYSA-N	1	0	373.453	1.497	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1	ZINC000264451420	997516378	/nfs/dbraw/zinc/51/63/78/997516378.db2.gz	CRSVTLVXIAPILI-USXIJHARSA-N	1	0	361.486	1.707	20	30		FDEDRO
C#CCN(CC)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000264508050	997526731	/nfs/dbraw/zinc/52/67/31/997526731.db2.gz	DZRFOADJPLJKJQ-GOSISDBHSA-N	1	0	356.470	1.549	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CCCN(CC(=O)N3CCCC3)CC2)cc1	ZINC000264539025	997538579	/nfs/dbraw/zinc/53/85/79/997538579.db2.gz	HAVYVNSRQCOYJX-UHFFFAOYSA-N	1	0	356.470	1.719	20	30		FDEDRO
COc1ccc(C[NH2+]CCCN2CCC[C@H]2C(N)=O)cc1OCCCC#N	ZINC000264618456	997555874	/nfs/dbraw/zinc/55/58/74/997555874.db2.gz	RBWOQZDLNOFZHZ-KRWDZBQOSA-N	1	0	374.485	1.807	20	30		FDEDRO
CCC[NH+](CCC)CCCNC(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC000264792289	997611247	/nfs/dbraw/zinc/61/12/47/997611247.db2.gz	RSXPADDIBWMKRD-MSUUIHNZSA-N	1	0	365.478	1.324	20	30		FDEDRO
C[C@]1(C#N)CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)CCO1	ZINC000887692353	997657079	/nfs/dbraw/zinc/65/70/79/997657079.db2.gz	LEJPPEVUJUBIEU-JBACZVJFSA-N	1	0	369.465	1.666	20	30		FDEDRO
C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)N1CCC(C#N)CC1	ZINC000265467457	997793718	/nfs/dbraw/zinc/79/37/18/997793718.db2.gz	ZXAPLZFOIXIYBX-MRXNPFEDSA-N	1	0	356.474	1.537	20	30		FDEDRO
C#CCC1(NC(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)CCOCC1	ZINC000887852345	997892625	/nfs/dbraw/zinc/89/26/25/997892625.db2.gz	VAABRXTVIXBQDM-UHFFFAOYSA-N	1	0	358.442	1.541	20	30		FDEDRO
N#Cc1csc(CNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)n1	ZINC000887981509	997993219	/nfs/dbraw/zinc/99/32/19/997993219.db2.gz	GFYPRMVGWOKZGV-UHFFFAOYSA-N	1	0	356.455	1.238	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)CC1	ZINC000887996011	998002921	/nfs/dbraw/zinc/00/29/21/998002921.db2.gz	CWHASKGZBPFKPT-HZPDHXFCSA-N	1	0	365.474	1.082	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)O2	ZINC000965550409	1016178898	/nfs/dbraw/zinc/17/88/98/1016178898.db2.gz	YGNLRYHCQCZNRN-OWCLPIDISA-N	1	0	363.502	1.415	20	30		FDEDRO
CCOCCCNC(=[NH2+])NC[C@H](c1ccc(OC)cc1)N1CCOCC1	ZINC000104154460	998308175	/nfs/dbraw/zinc/30/81/75/998308175.db2.gz	NANSSASQPXDJAA-GOSISDBHSA-N	1	0	364.490	1.399	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cc1	ZINC000889771360	998635666	/nfs/dbraw/zinc/63/56/66/998635666.db2.gz	ZRWBSABGWXAJIQ-SLFFLAALSA-N	1	0	368.481	1.585	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1	ZINC000826669132	998754398	/nfs/dbraw/zinc/75/43/98/998754398.db2.gz	ZGDBAMPBFVGKAC-JVMRMLDLSA-N	1	0	374.485	1.816	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)C1	ZINC000890364265	998914300	/nfs/dbraw/zinc/91/43/00/998914300.db2.gz	YJOBWTMWVLLOAL-KAKFPZCNSA-N	1	0	362.518	1.367	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1	ZINC000890371473	998917731	/nfs/dbraw/zinc/91/77/31/998917731.db2.gz	WBUJOVIUSFCAIU-TZIWHRDSSA-N	1	0	370.497	1.020	20	30		FDEDRO
CSc1ccc(CNC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc1C#N	ZINC000890451069	998948587	/nfs/dbraw/zinc/94/85/87/998948587.db2.gz	SOONGJJULKCSPK-KGLIPLIRSA-N	1	0	362.499	1.877	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NC)CC1	ZINC000266101354	999115765	/nfs/dbraw/zinc/11/57/65/999115765.db2.gz	RPILDKWGCXTNBV-IBGZPJMESA-N	1	0	366.465	1.286	20	30		FDEDRO
CC(=O)N1CCN(CCNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)CC1	ZINC000266968650	999279688	/nfs/dbraw/zinc/27/96/88/999279688.db2.gz	CSYPXLHBNLVBQN-UHFFFAOYSA-N	1	0	371.407	1.274	20	30		FDEDRO
[NH2+]=C(NC[C@@H](O)CN1CCOCC1)Nc1cccc(Oc2ccccc2)c1	ZINC000266994377	999284936	/nfs/dbraw/zinc/28/49/36/999284936.db2.gz	WWFBPJHNCYJCQH-QGZVFWFLSA-N	1	0	370.453	1.899	20	30		FDEDRO
C[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)N(C)Cc1ccccc1	ZINC000267474198	999344789	/nfs/dbraw/zinc/34/47/89/999344789.db2.gz	YYCJINNDGGYHPV-KRWDZBQOSA-N	1	0	367.501	1.434	20	30		FDEDRO
C#CCCN1CCN(C(=O)c2cc(-c3ccc(OC)c(OC)c3)n[nH]2)CC1	ZINC000267592591	999365564	/nfs/dbraw/zinc/36/55/64/999365564.db2.gz	OHKSJFTVFPKNHC-UHFFFAOYSA-N	1	0	368.437	1.875	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)OCC	ZINC000270023830	999501561	/nfs/dbraw/zinc/50/15/61/999501561.db2.gz	FZGYODAWTMQIOQ-GOSISDBHSA-N	1	0	361.486	1.966	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CO)C[C@H](O)c2ccccc2)CC1	ZINC000270062034	999506091	/nfs/dbraw/zinc/50/60/91/999506091.db2.gz	KIDKSFHGCFQBQW-OALUTQOASA-N	1	0	361.486	1.811	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)nn1CCC#N	ZINC000271002197	999647733	/nfs/dbraw/zinc/64/77/33/999647733.db2.gz	HKIUZUKYOMAXDM-GASCZTMLSA-N	1	0	374.489	1.528	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)nn1CCC#N	ZINC000271178394	999671295	/nfs/dbraw/zinc/67/12/95/999671295.db2.gz	VLMGPYUEMPGKON-UHFFFAOYSA-N	1	0	372.473	1.521	20	30		FDEDRO
C=CCCCNC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000283229552	999746026	/nfs/dbraw/zinc/74/60/26/999746026.db2.gz	AFUMJCHLEFOWEU-UHFFFAOYSA-N	1	0	358.486	1.003	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)NCc1cccc(C#N)c1)C(C)C	ZINC000284114611	999777088	/nfs/dbraw/zinc/77/70/88/999777088.db2.gz	UVNLNDLKUWPIDD-IBGZPJMESA-N	1	0	368.481	1.989	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1	ZINC000284277383	999795681	/nfs/dbraw/zinc/79/56/81/999795681.db2.gz	XFEJTPYNWUJZLF-UHFFFAOYSA-N	1	0	354.454	1.507	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)NCCN1CCN(c2ccc(F)cc2)CC1	ZINC000284699320	999866775	/nfs/dbraw/zinc/86/67/75/999866775.db2.gz	PEFSGXOJBIMHBT-UHFFFAOYSA-N	1	0	362.449	1.098	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1	ZINC000284937500	999885176	/nfs/dbraw/zinc/88/51/76/999885176.db2.gz	DRALCVSGCPBBKB-GOSISDBHSA-N	1	0	368.481	1.896	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCC[N@@H+](C)[C@@H](C)CC	ZINC000285901301	999924026	/nfs/dbraw/zinc/92/40/26/999924026.db2.gz	HQKYZRAQBAABSB-INIZCTEOSA-N	1	0	356.470	1.919	20	30		FDEDRO
CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)c1ccnc(C#N)c1	ZINC000286031705	999932687	/nfs/dbraw/zinc/93/26/87/999932687.db2.gz	GNKTZUYDQGGBCN-UHFFFAOYSA-N	1	0	363.465	1.843	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](C(=O)NC[C@H](O)C[NH+]3CCCCC3)C2)c(F)c1	ZINC000286031958	999932726	/nfs/dbraw/zinc/93/27/26/999932726.db2.gz	BAWPZDAUZACMQT-IRXDYDNUSA-N	1	0	374.460	1.487	20	30		FDEDRO
C#CC(C)(C)N(C)CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1	ZINC000286086030	999937738	/nfs/dbraw/zinc/93/77/38/999937738.db2.gz	KIIJZAWTVNXMQZ-UHFFFAOYSA-N	1	0	357.454	1.119	20	30		FDEDRO
C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)NCCCCC#N)C1CC1	ZINC000286355049	999943984	/nfs/dbraw/zinc/94/39/84/999943984.db2.gz	BZXFMWRYQNVHLF-SFHVURJKSA-N	1	0	356.470	1.823	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2c[nH]c3c2cccc3C)CC1	ZINC000286412413	999944274	/nfs/dbraw/zinc/94/42/74/999944274.db2.gz	FHHSFAPYEPHDJM-UHFFFAOYSA-N	1	0	368.481	1.902	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CCO)Cc2ccccc2)CC1	ZINC000286487499	999944794	/nfs/dbraw/zinc/94/47/94/999944794.db2.gz	JPNVVGNJNBEDLK-UHFFFAOYSA-N	1	0	359.470	1.164	20	30		FDEDRO
C#CCNc1nc(NC[C@@H]2CCCOC2)[nH+]c(NC[C@@H]2CCCOC2)n1	ZINC000286494557	999944884	/nfs/dbraw/zinc/94/48/84/999944884.db2.gz	VOVKXAHSIWGWJR-GJZGRUSLSA-N	1	0	360.462	1.594	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C	ZINC000286818137	999951076	/nfs/dbraw/zinc/95/10/76/999951076.db2.gz	AQGHZPKWARNRFG-RHSMWYFYSA-N	1	0	357.454	1.467	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(Cc2cccnc2)C2CC2)CC1	ZINC000286855492	999952851	/nfs/dbraw/zinc/95/28/51/999952851.db2.gz	ZFFWRFPWCKVFQT-UHFFFAOYSA-N	1	0	356.470	1.729	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCc2nccc(C(F)F)n2)CC1	ZINC000287367357	999957087	/nfs/dbraw/zinc/95/70/87/999957087.db2.gz	YVAGWDXLZZKLSR-UHFFFAOYSA-N	1	0	370.404	1.782	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21	ZINC000287499094	999958275	/nfs/dbraw/zinc/95/82/75/999958275.db2.gz	VSFWVEAMMFRRDQ-DOTOQJQBSA-N	1	0	357.454	1.420	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1	ZINC000288268250	1000002474	/nfs/dbraw/zinc/00/24/74/1000002474.db2.gz	PPVNTKXZOOQMPK-UHFFFAOYSA-N	1	0	373.497	1.684	20	30		FDEDRO
C[NH+](C)CCN1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000288294646	1000005146	/nfs/dbraw/zinc/00/51/46/1000005146.db2.gz	LGRJBBZALOOCGX-QGZVFWFLSA-N	1	0	373.476	1.229	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNc2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1	ZINC000288553491	1000026452	/nfs/dbraw/zinc/02/64/52/1000026452.db2.gz	SYLFXSHCVVUJLC-UHFFFAOYSA-N	1	0	367.413	1.808	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1	ZINC000288852243	1000052757	/nfs/dbraw/zinc/05/27/57/1000052757.db2.gz	PFILYAKPTDUVAX-IFXJQAMLSA-N	1	0	363.433	1.453	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1F	ZINC000290201169	1000126642	/nfs/dbraw/zinc/12/66/42/1000126642.db2.gz	HVQQCTYKKDIJRR-UHFFFAOYSA-N	1	0	374.416	1.397	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1CC[NH3+]	ZINC000927828745	1001087335	/nfs/dbraw/zinc/08/73/35/1001087335.db2.gz	HDBQYLZTYINGQO-ZYHUDNBSSA-N	1	0	368.359	1.959	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cc(F)c(N3CCOCC3)c(F)c2)CC1	ZINC000928648756	1001607135	/nfs/dbraw/zinc/60/71/35/1001607135.db2.gz	BMMZFXCVSRNTPE-UHFFFAOYSA-N	1	0	363.408	1.629	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)CC1	ZINC000928649377	1001607227	/nfs/dbraw/zinc/60/72/27/1001607227.db2.gz	JCLQWMWKVSCPKN-KRWDZBQOSA-N	1	0	371.456	1.431	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2C[C@@]23CCN(C(=O)OC(C)(C)C)C3)CC1	ZINC000928652939	1001609932	/nfs/dbraw/zinc/60/99/32/1001609932.db2.gz	RTBGYNUXHMAIGW-OXJNMPFZSA-N	1	0	361.486	1.847	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@]2(CC#C)CCCN2C(=O)OC(C)(C)C)CC1	ZINC000928652834	1001609940	/nfs/dbraw/zinc/60/99/40/1001609940.db2.gz	OMSNKWXUCQRTPE-OAQYLSRUSA-N	1	0	373.497	1.993	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CCc2c(C)nc3c(c(=O)[nH]n3C)c2C)CC1	ZINC000928655990	1001612065	/nfs/dbraw/zinc/61/20/65/1001612065.db2.gz	GSJDEGHTKITMKU-UHFFFAOYSA-N	1	0	369.469	1.437	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)CC1	ZINC000928657557	1001613124	/nfs/dbraw/zinc/61/31/24/1001613124.db2.gz	NSNMFVXKNIGNSX-IBGZPJMESA-N	1	0	353.466	1.434	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)N2CCCCC2=O)CC1	ZINC000928658694	1001613929	/nfs/dbraw/zinc/61/39/29/1001613929.db2.gz	YWCWKAFJJHGHFE-HXUWFJFHSA-N	1	0	353.466	1.954	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)CC1	ZINC000928658940	1001614743	/nfs/dbraw/zinc/61/47/43/1001614743.db2.gz	ZASDMCLNFQJAGY-UHFFFAOYSA-N	1	0	371.525	1.923	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H](CCOC)NC(=O)OC(C)(C)C)CC1	ZINC000928659914	1001615394	/nfs/dbraw/zinc/61/53/94/1001615394.db2.gz	DRFFDEXIJNFAFN-HNNXBMFYSA-N	1	0	353.463	1.130	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)CC1	ZINC000928717760	1001634604	/nfs/dbraw/zinc/63/46/04/1001634604.db2.gz	SAXBAMCWJZGXDZ-SFHVURJKSA-N	1	0	351.454	1.701	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1	ZINC000947050942	1001701070	/nfs/dbraw/zinc/70/10/70/1001701070.db2.gz	MGGOKNJDFIMBKG-SQNIBIBYSA-N	1	0	363.502	1.559	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1	ZINC000929199017	1001807353	/nfs/dbraw/zinc/80/73/53/1001807353.db2.gz	NDDODKLOPPSAOG-GOSISDBHSA-N	1	0	369.465	1.567	20	30		FDEDRO
C#CCN(C(=O)C(=O)NC[C@@H](CC)c1ccccc1)C1CC[NH+](C)CC1	ZINC000929226660	1001828633	/nfs/dbraw/zinc/82/86/33/1001828633.db2.gz	NRUCMIWBBXYKLF-QGZVFWFLSA-N	1	0	355.482	1.852	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC000948579768	1002466464	/nfs/dbraw/zinc/46/64/64/1002466464.db2.gz	JTVFOQBKRJGEBM-FHLIZLRMSA-N	1	0	371.485	1.726	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)NC1CCC(C[NH+](C)C)CC1	ZINC000929935589	1002618306	/nfs/dbraw/zinc/61/83/06/1002618306.db2.gz	UUMDELVKUBMTRS-UHFFFAOYSA-N	1	0	362.499	1.815	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CC(=O)N2CCCC2)CC1	ZINC000948785309	1002690112	/nfs/dbraw/zinc/69/01/12/1002690112.db2.gz	GOHGGLVAAYZCTK-KSZLIROESA-N	1	0	363.502	1.513	20	30		FDEDRO
CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)CC1	ZINC000948849241	1002756406	/nfs/dbraw/zinc/75/64/06/1002756406.db2.gz	NARLBDCOMRCRDS-CEXWTWQISA-N	1	0	358.486	1.624	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCNC(C)=O)CC1	ZINC001110983069	1002905512	/nfs/dbraw/zinc/90/55/12/1002905512.db2.gz	FBSOZKMZFMVFHB-QRVBRYPASA-N	1	0	363.502	1.607	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)c3c[nH]c(C#N)c3)CC2)CC[N@@H+]1C	ZINC000949011113	1002929438	/nfs/dbraw/zinc/92/94/38/1002929438.db2.gz	PVQAUUZKBVUGFK-CXAGYDPISA-N	1	0	357.458	1.195	20	30		FDEDRO
CCOC(=O)Cn1ccc2cc(NC(=O)NCC#CC[NH+](C)C)ccc21	ZINC000930216628	1002936998	/nfs/dbraw/zinc/93/69/98/1002936998.db2.gz	MGZOUGWKJZMXDN-UHFFFAOYSA-N	1	0	356.426	1.891	20	30		FDEDRO
COc1ccc(NC(=O)NCC#CC[NH+](C)C)cc1-n1nnnc1C1CC1	ZINC000930317057	1003019186	/nfs/dbraw/zinc/01/91/86/1003019186.db2.gz	WSZKRLHWYBHIML-UHFFFAOYSA-N	1	0	369.429	1.235	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1ccnn1C)CCO2	ZINC000949147796	1003037888	/nfs/dbraw/zinc/03/78/88/1003037888.db2.gz	NKYSSPAYDGTZPR-IAGOWNOFSA-N	1	0	358.486	1.793	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCOC2(CC[NH+](C[C@@H](C)O)CC2)C1	ZINC000949207790	1003099957	/nfs/dbraw/zinc/09/99/57/1003099957.db2.gz	WSBILKUGFGBSJB-SQNIBIBYSA-N	1	0	366.502	1.432	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCC[C@@H](OCC)C(C)C)C1CC[NH+](C)CC1	ZINC000930418937	1003107100	/nfs/dbraw/zinc/10/71/00/1003107100.db2.gz	QMFCCKYDDJPKNV-QGZVFWFLSA-N	1	0	351.491	1.110	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2nc(CCC(=O)OC)cs2)CC1	ZINC000930438903	1003131236	/nfs/dbraw/zinc/13/12/36/1003131236.db2.gz	FIIXOEZUUAJNIX-UHFFFAOYSA-N	1	0	350.444	1.468	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1c(C)oc2ccccc21)C1CC[NH+](C)CC1	ZINC000930551187	1003259504	/nfs/dbraw/zinc/25/95/04/1003259504.db2.gz	TXCWMCSTHGEMHD-UHFFFAOYSA-N	1	0	367.449	1.913	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)C[N@H+](C[C@H](CC)OC)CCO2	ZINC000949476642	1003378411	/nfs/dbraw/zinc/37/84/11/1003378411.db2.gz	ADJXDWPCRJSHMU-KSZLIROESA-N	1	0	366.502	1.696	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC1)C[N@H+](CCCO)CCO2	ZINC000949492761	1003395649	/nfs/dbraw/zinc/39/56/49/1003395649.db2.gz	JGGQMOKMVKRNGL-IRXDYDNUSA-N	1	0	352.475	1.043	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@@H](c1c(C)nn(C)c1C)C(F)(F)F	ZINC000930688649	1003402838	/nfs/dbraw/zinc/40/28/38/1003402838.db2.gz	YDKYAAVJHSMUOK-AWEZNQCLSA-N	1	0	359.396	1.895	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@@H](O)C2)C1	ZINC000966306036	1016776831	/nfs/dbraw/zinc/77/68/31/1016776831.db2.gz	OEKBURUYGZGELE-ZACQAIPSSA-N	1	0	363.502	1.009	20	30		FDEDRO
COC[C@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(F)c(C#N)c1	ZINC001111000709	1003644486	/nfs/dbraw/zinc/64/44/86/1003644486.db2.gz	REAJVZADZPKFEE-BGTYHANMSA-N	1	0	361.417	1.580	20	30		FDEDRO
CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@@H+]2CCC[C@@H](CC#N)C2)CCC1	ZINC000930924694	1003668772	/nfs/dbraw/zinc/66/87/72/1003668772.db2.gz	RASRLLQOGRWNSD-LSDHHAIUSA-N	1	0	357.520	1.614	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3cc[nH]c3CC)C2)CC1	ZINC000949864637	1003758029	/nfs/dbraw/zinc/75/80/29/1003758029.db2.gz	ABMXYXWALRQGMQ-DNVCBOLYSA-N	1	0	370.497	1.499	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3cscn3)C2)CC1	ZINC000949864897	1003759337	/nfs/dbraw/zinc/75/93/37/1003759337.db2.gz	NFBPVNXYSMBOIW-UKRRQHHQSA-N	1	0	360.483	1.065	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3oc(C)cc3C)C2)CC1	ZINC000949864909	1003759358	/nfs/dbraw/zinc/75/93/58/1003759358.db2.gz	OAFBQVDPRWNBPZ-CRAIPNDOSA-N	1	0	371.481	1.818	20	30		FDEDRO
C#CC1(O)CC[NH+](C[C@@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000931151885	1003926221	/nfs/dbraw/zinc/92/62/21/1003926221.db2.gz	YUVFGSWMFKBHGD-MRXNPFEDSA-N	1	0	352.475	1.455	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Nc1cc(C(N)=O)ccc1OCC(F)F	ZINC000931505005	1004224136	/nfs/dbraw/zinc/22/41/36/1004224136.db2.gz	RAKISJFEFWBEKT-UHFFFAOYSA-N	1	0	354.357	1.116	20	30		FDEDRO
C[NH+](C)CCn1nccc1NC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1	ZINC000931567141	1004271936	/nfs/dbraw/zinc/27/19/36/1004271936.db2.gz	OGMQOMKPRIKIJO-KRWDZBQOSA-N	1	0	368.441	1.922	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1	ZINC000931591936	1004295463	/nfs/dbraw/zinc/29/54/63/1004295463.db2.gz	IGQFNJRFJVAKRX-INIZCTEOSA-N	1	0	358.417	1.400	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2cccc(N3C(=O)CNC3=O)c2C)CC1	ZINC000931714668	1004436971	/nfs/dbraw/zinc/43/69/71/1004436971.db2.gz	IZVAOTSPCWQBGI-UHFFFAOYSA-N	1	0	369.425	1.270	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c(C#N)cn1CC	ZINC000931781973	1004490714	/nfs/dbraw/zinc/49/07/14/1004490714.db2.gz	FNGXYRINDWTTFR-OKILXGFUSA-N	1	0	359.430	1.582	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)c(C#N)cn1CC	ZINC000931783274	1004490812	/nfs/dbraw/zinc/49/08/12/1004490812.db2.gz	WBTJOPQHSSJHSS-TZMCWYRMSA-N	1	0	359.430	1.724	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N[C@@H]1CCCN2CCSC[C@H]12	ZINC000931820258	1004517400	/nfs/dbraw/zinc/51/74/00/1004517400.db2.gz	RKYVNPLXOKPHGO-HZPDHXFCSA-N	1	0	353.532	1.887	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)N(CCC#N)c2ccc3c(c2)OCCO3)CC1	ZINC000931850145	1004533176	/nfs/dbraw/zinc/53/31/76/1004533176.db2.gz	CKNADNNKXGOUET-UHFFFAOYSA-N	1	0	359.426	1.815	20	30		FDEDRO
COc1cc(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c(F)cc1C#N	ZINC000931983924	1004670496	/nfs/dbraw/zinc/67/04/96/1004670496.db2.gz	NTZGCEDGTBNEKA-HOTGVXAUSA-N	1	0	362.405	1.769	20	30		FDEDRO
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)NC1(C#N)CC[NH+](C)CC1	ZINC000932178206	1004810936	/nfs/dbraw/zinc/81/09/36/1004810936.db2.gz	LHNQUUYNBSVRTL-HUUCEWRRSA-N	1	0	364.490	1.984	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CCC(=O)NC2CCN(CC#N)CC2)cc1	ZINC000932216048	1004834597	/nfs/dbraw/zinc/83/45/97/1004834597.db2.gz	QPDAXQURNOFECP-UHFFFAOYSA-N	1	0	358.486	1.664	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)NC1(C(F)(F)F)CCOCC1	ZINC000932294342	1004885682	/nfs/dbraw/zinc/88/56/82/1004885682.db2.gz	GHJVNISSOVBJBB-UHFFFAOYSA-N	1	0	350.385	1.975	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1C#N	ZINC000932478443	1004980729	/nfs/dbraw/zinc/98/07/29/1004980729.db2.gz	IFEBESAYWAYAON-AEFFLSMTSA-N	1	0	354.454	1.426	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1	ZINC000932854466	1005218169	/nfs/dbraw/zinc/21/81/69/1005218169.db2.gz	JKCLKEABRGGJHS-GOSISDBHSA-N	1	0	356.470	1.334	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1c(F)cc(C)cc1F)C1CC[NH+](C)CC1	ZINC000932901994	1005236613	/nfs/dbraw/zinc/23/66/13/1005236613.db2.gz	KMAIUMNKURBLOX-UHFFFAOYSA-N	1	0	363.408	1.445	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1cn[nH]c1	ZINC000778142734	1005253313	/nfs/dbraw/zinc/25/33/13/1005253313.db2.gz	SZYBHFYPMSDTEF-KDOFPFPSSA-N	1	0	370.432	1.608	20	30		FDEDRO
C[C@H](O)[C@H](O)C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F	ZINC000932945563	1005263507	/nfs/dbraw/zinc/26/35/07/1005263507.db2.gz	ZMMZZQSSHTXSTD-LXGUWJNJSA-N	1	0	357.241	1.831	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCC1	ZINC000933298626	1005535313	/nfs/dbraw/zinc/53/53/13/1005535313.db2.gz	HWLCQRXQEBYZRA-MRXNPFEDSA-N	1	0	356.495	1.993	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCO[C@H](C[NH+]2CCC3(CC2)CC(=O)C=CO3)C1	ZINC000933645402	1005597901	/nfs/dbraw/zinc/59/79/01/1005597901.db2.gz	OISLBKYHVOLWAM-MRXNPFEDSA-N	1	0	366.458	1.960	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1CS(N)(=O)=O	ZINC000933699034	1005611547	/nfs/dbraw/zinc/61/15/47/1005611547.db2.gz	WVCOWJYVFDWTDK-OCCSQVGLSA-N	1	0	360.401	1.913	20	30		FDEDRO
COC(=O)C1([C@]2(O)CCC[N@H+](C[C@@H](O)CC3(C#N)CCC3)C2)CCC1	ZINC000933832591	1005643392	/nfs/dbraw/zinc/64/33/92/1005643392.db2.gz	JYLMMKWAOCPEDW-KXBFYZLASA-N	1	0	350.459	1.601	20	30		FDEDRO
N#Cc1cccc(NC(=O)C[NH2+]C2(C(=O)N3CCOCC3)CCCCC2)c1	ZINC000934057055	1005682945	/nfs/dbraw/zinc/68/29/45/1005682945.db2.gz	DRIPQMKYJIULLN-UHFFFAOYSA-N	1	0	370.453	1.648	20	30		FDEDRO
C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000934467694	1005749715	/nfs/dbraw/zinc/74/97/15/1005749715.db2.gz	YPTMRYWETABEGV-VNHYZAJKSA-N	1	0	351.472	1.550	20	30		FDEDRO
Cc1ccc(CCNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)cn1	ZINC000089120870	1006011794	/nfs/dbraw/zinc/01/17/94/1006011794.db2.gz	GICNZPRZQIXFJF-INIZCTEOSA-N	1	0	359.474	1.813	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC(C)C	ZINC001111107257	1006081800	/nfs/dbraw/zinc/08/18/00/1006081800.db2.gz	NKYAYTIVMDZZQP-TVFCKZIOSA-N	1	0	351.491	1.604	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2	ZINC001111179732	1006658993	/nfs/dbraw/zinc/65/89/93/1006658993.db2.gz	VPNFCTNOITUKNT-MLHJIOFPSA-N	1	0	362.518	1.131	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1	ZINC000954403910	1006718342	/nfs/dbraw/zinc/71/83/42/1006718342.db2.gz	FUWJTQNBRXFEPU-SQNIBIBYSA-N	1	0	363.502	1.511	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)C=CC(=O)Nc2ccc3n[nH]cc3c2)CC1	ZINC000778780732	1006805229	/nfs/dbraw/zinc/80/52/29/1006805229.db2.gz	QTMJUSFGBGPVBR-SREVYHEPSA-N	1	0	365.437	1.662	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1	ZINC000954685880	1006960082	/nfs/dbraw/zinc/96/00/82/1006960082.db2.gz	WAMVEGHGWOKBSH-MSOLQXFVSA-N	1	0	368.437	1.517	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2c(C)nn(C)c2-n2cc(C)cn2)CC1	ZINC000778909887	1006992251	/nfs/dbraw/zinc/99/22/51/1006992251.db2.gz	DHNDYDGISGBYQK-UHFFFAOYSA-N	1	0	354.458	1.440	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)Cn2cc(C[C@@H]3CC[NH2+]C3)nn2)c(OC)c1	ZINC000641209572	1007017403	/nfs/dbraw/zinc/01/74/03/1007017403.db2.gz	YUILGPIRBUAXRD-FUHWJXTLSA-N	1	0	372.469	1.607	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1	ZINC000955365820	1007389968	/nfs/dbraw/zinc/38/99/68/1007389968.db2.gz	YRLZFSWDUMYIDH-SQNIBIBYSA-N	1	0	361.486	1.121	20	30		FDEDRO
CN(CCC#N)c1ccc(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1	ZINC000093047039	1007510749	/nfs/dbraw/zinc/51/07/49/1007510749.db2.gz	YNBYINWFFFTXMP-UHFFFAOYSA-N	1	0	369.513	1.776	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21	ZINC000640098396	1007763386	/nfs/dbraw/zinc/76/33/86/1007763386.db2.gz	DNEGPYINCUKPQT-FHWLQOOXSA-N	1	0	352.434	1.911	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3CCCC[N@H+]3CC)C2)nc1	ZINC000957457860	1008309626	/nfs/dbraw/zinc/30/96/26/1008309626.db2.gz	FUSHEHJBEBAAHY-ATZDWAIDSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)cn1	ZINC000957460967	1008311742	/nfs/dbraw/zinc/31/17/42/1008311742.db2.gz	UHOHZBYSCGYNCC-CRAIPNDOSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)cn1	ZINC000957468187	1008315996	/nfs/dbraw/zinc/31/59/96/1008315996.db2.gz	LPCIDNAPUNRUAY-CRAIPNDOSA-N	1	0	366.465	1.268	20	30		FDEDRO
C=CCn1cc(C(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)nn1	ZINC000648758368	1008590624	/nfs/dbraw/zinc/59/06/24/1008590624.db2.gz	QDAOHVGTGIIWOK-UHFFFAOYSA-N	1	0	354.458	1.638	20	30		FDEDRO
[NH2+]=C(NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)NC[C@H]1CCCO1	ZINC000303251396	1008763867	/nfs/dbraw/zinc/76/38/67/1008763867.db2.gz	AGIOPFWCSKDFAQ-DLBZAZTESA-N	1	0	360.458	1.179	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCN1C(=O)C1CC[NH+](C)CC1	ZINC000950193464	1008818813	/nfs/dbraw/zinc/81/88/13/1008818813.db2.gz	YNGLSPVEKZNKTQ-SQNIBIBYSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)c1	ZINC000958714774	1008985264	/nfs/dbraw/zinc/98/52/64/1008985264.db2.gz	LBBLPNKZXWGXDZ-CRAIPNDOSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1	ZINC000950382176	1009108697	/nfs/dbraw/zinc/10/86/97/1009108697.db2.gz	FYZBPVXCASZUIV-LZJOCLMNSA-N	1	0	370.497	1.737	20	30		FDEDRO
C=C(C)CN(CC)CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O	ZINC000078514932	1009326088	/nfs/dbraw/zinc/32/60/88/1009326088.db2.gz	XTIPUSQYNUBLTF-FQEVSTJZSA-N	1	0	372.469	1.859	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cccn2CC=C)C1	ZINC000950648599	1009468683	/nfs/dbraw/zinc/46/86/83/1009468683.db2.gz	SSZGXFVBVUJEND-LMMKCTJWSA-N	1	0	368.481	1.348	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C(C)(C)C2CCC2)C1	ZINC000950648585	1009468975	/nfs/dbraw/zinc/46/89/75/1009468975.db2.gz	SCCAQHQMAQVRNM-NXHRZFHOSA-N	1	0	359.514	1.873	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C	ZINC000950716188	1009551095	/nfs/dbraw/zinc/55/10/95/1009551095.db2.gz	VAGIHXSSYXXFKL-ATZDWAIDSA-N	1	0	355.482	1.514	20	30		FDEDRO
N#Cc1cccc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2CC[C@@H](C(N)=O)O2)c1	ZINC000960131798	1009563674	/nfs/dbraw/zinc/56/36/74/1009563674.db2.gz	RIFPZFBOWAZQFW-OKZBNKHCSA-N	1	0	370.453	1.062	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCCCOC[C@@H]2CCCO2)CC1	ZINC000303789313	1009583942	/nfs/dbraw/zinc/58/39/42/1009583942.db2.gz	VFVXOYCXYYEASO-HNNXBMFYSA-N	1	0	370.494	1.440	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]21	ZINC001114859084	1009593747	/nfs/dbraw/zinc/59/37/47/1009593747.db2.gz	MXKIYWZWFLWCSF-GJGATLCTSA-N	1	0	363.502	1.269	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1	ZINC000950971884	1010167238	/nfs/dbraw/zinc/16/72/38/1010167238.db2.gz	OZIDAZBOFWBPJQ-IKGGRYGDSA-N	1	0	361.486	1.171	20	30		FDEDRO
C=CCn1cc(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)nn1	ZINC000648220204	1010308296	/nfs/dbraw/zinc/30/82/96/1010308296.db2.gz	NGINRTJLVWRZHQ-UHFFFAOYSA-N	1	0	354.458	1.012	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@H]2OCCN(C(=O)CCc3c[nH]cn3)[C@H]2C1	ZINC000960525560	1010320836	/nfs/dbraw/zinc/32/08/36/1010320836.db2.gz	GXRSPULCTPCRIQ-JKSUJKDBSA-N	1	0	360.458	1.383	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)nn1	ZINC000648271533	1010329661	/nfs/dbraw/zinc/32/96/61/1010329661.db2.gz	JRZOZISUINFKEG-QGZVFWFLSA-N	1	0	354.458	1.183	20	30		FDEDRO
CC(C)[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)NC(=O)OC(C)(C)C	ZINC000304750047	1010478126	/nfs/dbraw/zinc/47/81/26/1010478126.db2.gz	IAWXPRNOONEGPH-OAHLLOKOSA-N	1	0	371.526	1.162	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC[C@H]2C[N@H+](C)Cc2cccc(C#N)c2)C1	ZINC000960646253	1010536071	/nfs/dbraw/zinc/53/60/71/1010536071.db2.gz	INSBABDDFLUKPA-AYOQOUSVSA-N	1	0	368.481	1.896	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1	ZINC000951297743	1010703291	/nfs/dbraw/zinc/70/32/91/1010703291.db2.gz	JCPUHPAGEOMICC-NJAFHUGGSA-N	1	0	368.437	1.646	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccccc1C[NH+](C)C	ZINC000952177774	1011390163	/nfs/dbraw/zinc/39/01/63/1011390163.db2.gz	MIQVGMTXFZQYLQ-QRQLOZEOSA-N	1	0	371.481	1.670	20	30		FDEDRO
C[N@@H+](Cc1ccc(F)c(C#N)c1)C[C@H]1CCCN1C(=O)[C@H]1C[C@H]1C(N)=O	ZINC000960875383	1011591439	/nfs/dbraw/zinc/59/14/39/1011591439.db2.gz	KPNXMVJHYZYNHG-OAGGEKHMSA-N	1	0	358.417	1.242	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1	ZINC000963040053	1011773814	/nfs/dbraw/zinc/77/38/14/1011773814.db2.gz	FWUORRLSCUVXCH-CVEARBPZSA-N	1	0	351.491	1.009	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@H]2CCCN3C(=O)[C@@H]2C[C@H]2CC)CC1	ZINC000963589232	1012442936	/nfs/dbraw/zinc/44/29/36/1012442936.db2.gz	DKMYSRQLQONHBA-AFYVEPGGSA-N	1	0	371.525	1.970	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)O1	ZINC000305771510	1012472106	/nfs/dbraw/zinc/47/21/06/1012472106.db2.gz	KNBRQRMGLJFDIS-STQMWFEESA-N	1	0	374.363	1.948	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC(N2CC[C@@H](O)C2)C1)C(C)C	ZINC000650667820	1012538141	/nfs/dbraw/zinc/53/81/41/1012538141.db2.gz	WKAOGLJZDCHJOL-MSOLQXFVSA-N	1	0	350.507	1.145	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3CN(C(=O)[C@@H]4C[C@H]4CC)C[C@H]32)CC1	ZINC000963761682	1012657436	/nfs/dbraw/zinc/65/74/36/1012657436.db2.gz	XXOUNYOUYFJLRK-GSEOLPGOSA-N	1	0	371.525	1.827	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)[C@]45C[C@H]4CCC5)C[C@@H]3C2)CC1	ZINC000961737863	1012779852	/nfs/dbraw/zinc/77/98/52/1012779852.db2.gz	WOEQWDIOKDIDFF-VQQMMKBISA-N	1	0	369.509	1.439	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CC23CCN(C(=O)c2cc(C#N)c[nH]2)CC3)CC[N@@H+]1C	ZINC000963923446	1012962717	/nfs/dbraw/zinc/96/27/17/1012962717.db2.gz	DBALPJZDVMCWMZ-UNEWFSDZSA-N	1	0	369.469	1.337	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[NH+]2CCCC2)CC1(C)C	ZINC000967141398	1017195009	/nfs/dbraw/zinc/19/50/09/1017195009.db2.gz	DOAAQWFMUZUQGL-IKGGRYGDSA-N	1	0	363.502	1.417	20	30		FDEDRO
C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)N3CCC(F)(C#N)CC3)cccc21	ZINC000506577150	538899018	/nfs/dbraw/zinc/89/90/18/538899018.db2.gz	GGHFHEZUIPIKJJ-HNNXBMFYSA-N	1	0	374.416	1.865	20	30		FDEDRO
C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCC(F)(C#N)CC2)cc1	ZINC000506615370	538900748	/nfs/dbraw/zinc/90/07/48/538900748.db2.gz	NOKZKEQHDFUAKD-UHFFFAOYSA-N	1	0	362.405	1.420	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)N1CCN(C(=O)C[NH+](CC)CC)CC1	ZINC000507759401	538922948	/nfs/dbraw/zinc/92/29/48/538922948.db2.gz	PSEFUEDSHRLOFG-QGZVFWFLSA-N	1	0	350.507	1.062	20	30		FDEDRO
N#Cc1cc(C(=O)N2CCN(CCCOCC(F)(F)F)CC2)ccn1	ZINC000192893583	178137744	/nfs/dbraw/zinc/13/77/44/178137744.db2.gz	GLIVULICSXANKG-UHFFFAOYSA-N	1	0	356.348	1.680	20	30		FDEDRO
N#Cc1cc(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)ccn1	ZINC000193060419	178145317	/nfs/dbraw/zinc/14/53/17/178145317.db2.gz	SUMGVJWRPDYSNU-INIZCTEOSA-N	1	0	363.421	1.903	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[N@@H+]1C1CC1	ZINC000193134240	178149677	/nfs/dbraw/zinc/14/96/77/178149677.db2.gz	MUGYPMHCIRPKLR-GXTWGEPZSA-N	1	0	357.458	1.795	20	30		FDEDRO
CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000193328372	178158313	/nfs/dbraw/zinc/15/83/13/178158313.db2.gz	WGQUWJIHARBTMZ-UHFFFAOYSA-N	1	0	359.474	1.996	20	30		FDEDRO
N#Cc1cc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)ccn1	ZINC000193788179	178181485	/nfs/dbraw/zinc/18/14/85/178181485.db2.gz	OAVMSLROHGUSIN-IBGZPJMESA-N	1	0	350.422	1.840	20	30		FDEDRO
CN(C)S(=O)(=O)CCC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000512840591	538981819	/nfs/dbraw/zinc/98/18/19/538981819.db2.gz	OMIRXDQEZUBFBH-UHFFFAOYSA-N	1	0	369.462	1.822	20	30		FDEDRO
CNC(=O)c1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cn1	ZINC000264124830	179031350	/nfs/dbraw/zinc/03/13/50/179031350.db2.gz	KGFBQZHBUOZSAP-UHFFFAOYSA-N	1	0	365.437	1.517	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000264493692	179122270	/nfs/dbraw/zinc/12/22/70/179122270.db2.gz	HAZJRRHAJKPFIB-KRWDZBQOSA-N	1	0	362.499	1.349	20	30		FDEDRO
N#Cc1cccc(CS(=O)(=O)NCC2([NH+]3CCCC3)CCOCC2)c1	ZINC000264506938	179125496	/nfs/dbraw/zinc/12/54/96/179125496.db2.gz	RECXGOPVWSTXFL-UHFFFAOYSA-N	1	0	363.483	1.623	20	30		FDEDRO
COc1cc(C#N)ccc1OCCCC(=O)NCC[NH+]1CCSCC1	ZINC000264782035	179199693	/nfs/dbraw/zinc/19/96/93/179199693.db2.gz	IPMKAHWAESZGBS-UHFFFAOYSA-N	1	0	363.483	1.891	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)n1	ZINC000546882364	542249369	/nfs/dbraw/zinc/24/93/69/542249369.db2.gz	AOAWOYCBFBGHGK-IRXDYDNUSA-N	1	0	354.458	1.412	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1	ZINC000268596891	180122946	/nfs/dbraw/zinc/12/29/46/180122946.db2.gz	KSUIMJYYXMAUTP-HNNXBMFYSA-N	1	0	358.442	1.599	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ccc(C#N)cc1	ZINC000268926928	180180961	/nfs/dbraw/zinc/18/09/61/180180961.db2.gz	YINYNDSSEMMJEA-YJBOKZPZSA-N	1	0	369.469	1.567	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)Cc2ccc(C#N)nc2)CC1	ZINC000528800005	539787879	/nfs/dbraw/zinc/78/78/79/539787879.db2.gz	RDCHMWBGUYSSEB-UHFFFAOYSA-N	1	0	371.485	1.239	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2ccc(F)cc2C#N)CC1	ZINC000269776050	180385986	/nfs/dbraw/zinc/38/59/86/180385986.db2.gz	HGIAMGLSQNPUHW-UHFFFAOYSA-N	1	0	355.435	1.211	20	30		FDEDRO
CC(=O)NCC(=O)N1CCC[N@H+](Cc2cccc(OCCCC#N)c2)CC1	ZINC000529666349	539839910	/nfs/dbraw/zinc/83/99/10/539839910.db2.gz	XHGLAZPJGDAHRG-UHFFFAOYSA-N	1	0	372.469	1.540	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCCN(c2cccnc2)C1=O	ZINC000530231545	539915164	/nfs/dbraw/zinc/91/51/64/539915164.db2.gz	JPTHHMASRXUPHP-ROUUACIJSA-N	1	0	366.421	1.478	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCN(c2ncccc2F)C1	ZINC000530230936	539915391	/nfs/dbraw/zinc/91/53/91/539915391.db2.gz	DXCJPMFADNYYJR-CVEARBPZSA-N	1	0	356.401	1.701	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)NC[C@@H](C)C[NH+]3CCCC3)CC2)c1C#N	ZINC000530408184	539963618	/nfs/dbraw/zinc/96/36/18/539963618.db2.gz	PGYKIXNFHASOAE-OAHLLOKOSA-N	1	0	373.505	1.164	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)c3sccc3C[NH+](C)C)CC2)c1C#N	ZINC000530522217	539991758	/nfs/dbraw/zinc/99/17/58/539991758.db2.gz	OTTKUCYASAKOPO-UHFFFAOYSA-N	1	0	372.498	1.686	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)n(CCC#N)n1	ZINC000532598530	540175858	/nfs/dbraw/zinc/17/58/58/540175858.db2.gz	MQXFOTKNXMPSGP-CQSZACIVSA-N	1	0	374.489	1.670	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)n(CCC#N)n1	ZINC000532601299	540176141	/nfs/dbraw/zinc/17/61/41/540176141.db2.gz	PTGDDKAZIXJAER-LSDHHAIUSA-N	1	0	360.462	1.423	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)n(CCC#N)n1	ZINC000533329663	540233505	/nfs/dbraw/zinc/23/35/05/540233505.db2.gz	NDJBDXJKIZUWTI-UHFFFAOYSA-N	1	0	360.462	1.282	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)n(CCC#N)n1	ZINC000533457973	540250341	/nfs/dbraw/zinc/25/03/41/540250341.db2.gz	WBGPHKVGIQGTEJ-GJZGRUSLSA-N	1	0	374.489	1.528	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)n(CCC#N)n1	ZINC000533460928	540251043	/nfs/dbraw/zinc/25/10/43/540251043.db2.gz	QURCAXNXDLHUNW-MRXNPFEDSA-N	1	0	374.489	1.528	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC2(C[NH+](C)C)CCC2)c1	ZINC000546903307	542255087	/nfs/dbraw/zinc/25/50/87/542255087.db2.gz	DGKFJOZSGLXSNA-UHFFFAOYSA-N	1	0	351.472	1.365	20	30		FDEDRO
COC(=O)c1cccc(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1C#N	ZINC000535964555	540532240	/nfs/dbraw/zinc/53/22/40/540532240.db2.gz	TXZAAJHKEQRFFL-GOSISDBHSA-N	1	0	370.497	1.947	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1	ZINC000269054767	674106048	/nfs/dbraw/zinc/10/60/48/674106048.db2.gz	WCUWKJOZTLJHRC-SQQITKIUSA-N	1	0	350.444	1.190	20	30		FDEDRO
C[C@@]1(F)CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000538392305	540851757	/nfs/dbraw/zinc/85/17/57/540851757.db2.gz	BTOVECMHMUSUKH-IEBWSBKVSA-N	1	0	362.424	1.968	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)NC[C@@H](c1cccs1)N1CCN(C)CC1	ZINC000539602668	540976431	/nfs/dbraw/zinc/97/64/31/540976431.db2.gz	MROBFGLEAFEZJC-CABCVRRESA-N	1	0	352.504	1.273	20	30		FDEDRO
C=CC[C@H](CO)CNC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000540411679	541054925	/nfs/dbraw/zinc/05/49/25/541054925.db2.gz	GNNZDTZBAQBLPF-IBGZPJMESA-N	1	0	360.502	1.288	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)C[C@@H]1[NH+]1CCCC1	ZINC000275540895	181345978	/nfs/dbraw/zinc/34/59/78/181345978.db2.gz	ZHJVJAIMFLCGCC-GJZGRUSLSA-N	1	0	352.485	1.154	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2CC[NH2+]C2)cc1	ZINC000269243908	674108121	/nfs/dbraw/zinc/10/81/21/674108121.db2.gz	JCNZAXBLWREWRH-IBPDABBASA-N	1	0	350.444	1.047	20	30		FDEDRO
O=C(C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000542252757	541365763	/nfs/dbraw/zinc/36/57/63/541365763.db2.gz	DBABKNHUOYSDLU-UAGQMJEPSA-N	1	0	366.383	1.876	20	30		FDEDRO
CN1CC[NH+](CCCCNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1	ZINC000542802742	541474258	/nfs/dbraw/zinc/47/42/58/541474258.db2.gz	JPFVIVAOJBPFSC-IBGZPJMESA-N	1	0	366.506	1.392	20	30		FDEDRO
C[C@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1C#N)C[NH+]1CCCCC1	ZINC000543753694	541653479	/nfs/dbraw/zinc/65/34/79/541653479.db2.gz	TXONEBOUOWZWSU-CQSZACIVSA-N	1	0	361.494	1.560	20	30		FDEDRO
C[C@@H](O)CN1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C[C@@H]1C	ZINC000282815820	182059744	/nfs/dbraw/zinc/05/97/44/182059744.db2.gz	RJFZSTXEOCHUIK-LSDHHAIUSA-N	1	0	353.426	1.271	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)c1	ZINC000283502587	182200007	/nfs/dbraw/zinc/20/00/07/182200007.db2.gz	AWBNTZLBWYYURX-UHFFFAOYSA-N	1	0	354.454	1.651	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1)[NH+]1CCC(C)CC1	ZINC000283857212	182294560	/nfs/dbraw/zinc/29/45/60/182294560.db2.gz	FXRGRBDHXXFAAG-HOTGVXAUSA-N	1	0	356.470	1.972	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1	ZINC000545294568	541927723	/nfs/dbraw/zinc/92/77/23/541927723.db2.gz	CNZPLWUIFAGWMI-UHFFFAOYSA-N	1	0	356.426	1.592	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NCc1cccc(C#N)c1	ZINC000284074846	182356507	/nfs/dbraw/zinc/35/65/07/182356507.db2.gz	RQDAQCCXSUYABX-INIZCTEOSA-N	1	0	356.470	1.945	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CC[N@H+](Cc2ccccc2)[C@@H](CC)C1	ZINC000545397453	541959077	/nfs/dbraw/zinc/95/90/77/541959077.db2.gz	MGRFEMRBUXAULJ-WMZOPIPTSA-N	1	0	358.486	1.983	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1	ZINC000284236129	182409169	/nfs/dbraw/zinc/40/91/69/182409169.db2.gz	UVNYNAIVURYEBA-UHFFFAOYSA-N	1	0	354.454	1.507	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1	ZINC000286529475	183089031	/nfs/dbraw/zinc/08/90/31/183089031.db2.gz	YBXSVKSJQYHKMR-HZPDHXFCSA-N	1	0	360.433	1.361	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1	ZINC000546605883	542181221	/nfs/dbraw/zinc/18/12/21/542181221.db2.gz	COIHBRHKXVLELZ-ZBFHGGJFSA-N	1	0	367.457	2.394	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)n1	ZINC000286780552	183143241	/nfs/dbraw/zinc/14/32/41/183143241.db2.gz	YWGCXSXRDRQMOC-MRXNPFEDSA-N	1	0	353.430	1.286	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCn1cnc(C#N)n1	ZINC000286671881	183125257	/nfs/dbraw/zinc/12/52/57/183125257.db2.gz	MDVIZUYYADBRKD-NVXWUHKLSA-N	1	0	367.457	1.360	20	30		FDEDRO
CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCn1cnc(C#N)n1	ZINC000286684864	183128533	/nfs/dbraw/zinc/12/85/33/183128533.db2.gz	CQKALYXJTKILHA-KRWDZBQOSA-N	1	0	367.457	1.313	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)n1	ZINC000287120601	183217284	/nfs/dbraw/zinc/21/72/84/183217284.db2.gz	ZDPKKBUIRZBQDE-MRXNPFEDSA-N	1	0	353.430	1.286	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1	ZINC000546707832	542206231	/nfs/dbraw/zinc/20/62/31/542206231.db2.gz	XRQRPSAHHLRTFF-AWEZNQCLSA-N	1	0	358.442	1.886	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000287401139	183283059	/nfs/dbraw/zinc/28/30/59/183283059.db2.gz	AAQMJVYLEQHNMG-LBPRGKRZSA-N	1	0	365.231	1.470	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000287401137	183283339	/nfs/dbraw/zinc/28/33/39/183283339.db2.gz	AAQMJVYLEQHNMG-GFCCVEGCSA-N	1	0	365.231	1.470	20	30		FDEDRO
N#CC1(CS(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCCC1	ZINC000546776888	542223971	/nfs/dbraw/zinc/22/39/71/542223971.db2.gz	KMYUHAZVDHGDQJ-IAGOWNOFSA-N	1	0	369.531	1.758	20	30		FDEDRO
C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000288205327	183427921	/nfs/dbraw/zinc/42/79/21/183427921.db2.gz	PUHGXTNUZZDHJM-HIFRSBDPSA-N	1	0	372.473	1.533	20	30		FDEDRO
N#Cc1ccnc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1	ZINC000288396903	183476948	/nfs/dbraw/zinc/47/69/48/183476948.db2.gz	KRGBLMGFQLBAEX-GOSISDBHSA-N	1	0	350.422	1.974	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC2CC[NH+](CCC)CC2)c1	ZINC000105017108	206731129	/nfs/dbraw/zinc/73/11/29/206731129.db2.gz	YAJIBCIUFGQEOQ-UHFFFAOYSA-N	1	0	365.499	1.755	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(C#N)cc(N(C)C)c3)C2)CC1	ZINC000292676679	183928144	/nfs/dbraw/zinc/92/81/44/183928144.db2.gz	KCEDZDNUFXURDR-GOSISDBHSA-N	1	0	355.486	1.476	20	30		FDEDRO
CN(C)C(=O)C1([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CCCCC1	ZINC000295200176	184044970	/nfs/dbraw/zinc/04/49/70/184044970.db2.gz	VEILYHIFJSOKHC-UHFFFAOYSA-N	1	0	364.471	1.108	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1	ZINC000297795566	184330309	/nfs/dbraw/zinc/33/03/09/184330309.db2.gz	HPODHEJSWQNHTI-YOEHRIQHSA-N	1	0	363.483	1.462	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1	ZINC000547318667	542311505	/nfs/dbraw/zinc/31/15/05/542311505.db2.gz	KEPBDAZHAMAEOH-OAHLLOKOSA-N	1	0	351.414	1.759	20	30		FDEDRO
COC(=O)CC1([NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CCCC1	ZINC000548427176	542664590	/nfs/dbraw/zinc/66/45/90/542664590.db2.gz	ZMTJLMXCVQPRCU-INIZCTEOSA-N	1	0	364.490	1.144	20	30		FDEDRO
C=CCn1c([C@H]2COCCO2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1	ZINC000548850655	542791100	/nfs/dbraw/zinc/79/11/00/542791100.db2.gz	TXVVPPFSBZNPIT-DLBZAZTESA-N	1	0	361.490	1.864	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]C2CCN(Cc3ccncc3)CC2)cc1	ZINC000548926491	542808599	/nfs/dbraw/zinc/80/85/99/542808599.db2.gz	UXCWEWVLZJKOQW-FQEVSTJZSA-N	1	0	366.465	1.947	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)NCC#Cc3cccc(F)c3)C2)CC1	ZINC000549582893	542901164	/nfs/dbraw/zinc/90/11/64/542901164.db2.gz	FTLHBNKMXAJKAG-HXUWFJFHSA-N	1	0	372.488	1.987	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(C)CCC#N)c(C)c2)CC1	ZINC000549710443	542920714	/nfs/dbraw/zinc/92/07/14/542920714.db2.gz	LSFYBICSNPEMBS-UHFFFAOYSA-N	1	0	357.458	1.448	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCC(C)CC1	ZINC000550103356	543007209	/nfs/dbraw/zinc/00/72/09/543007209.db2.gz	KGIJSPCGRPCMBB-SJORKVTESA-N	1	0	351.491	1.322	20	30		FDEDRO
CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000550156739	543024449	/nfs/dbraw/zinc/02/44/49/543024449.db2.gz	MNAZBZMMWTZNET-QGZVFWFLSA-N	1	0	354.454	1.828	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000550407509	543094613	/nfs/dbraw/zinc/09/46/13/543094613.db2.gz	GNXYBLROAXSQDQ-UHFFFAOYSA-N	1	0	372.513	1.345	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000551693640	543323497	/nfs/dbraw/zinc/32/34/97/543323497.db2.gz	QVCLLHGXMBLYNR-RBUKOAKNSA-N	1	0	364.449	1.875	20	30		FDEDRO
CN(CC(C)(C)C#N)C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1	ZINC000551865090	543357215	/nfs/dbraw/zinc/35/72/15/543357215.db2.gz	BCDGRZZLOKQQSE-UHFFFAOYSA-N	1	0	373.457	1.523	20	30		FDEDRO
N#CC1(NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC[NH+](Cc2ccccc2)CC1	ZINC000552426689	543465057	/nfs/dbraw/zinc/46/50/57/543465057.db2.gz	VLIPZDJGLZVIGE-UHFFFAOYSA-N	1	0	354.370	1.606	20	30		FDEDRO
CC[C@H](CO)[NH+]1CCN([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000072797702	172050201	/nfs/dbraw/zinc/05/02/01/172050201.db2.gz	MVWSMOXQTCVZKN-CZUORRHYSA-N	1	0	364.877	1.927	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)ccc1F	ZINC000076541769	172112426	/nfs/dbraw/zinc/11/24/26/172112426.db2.gz	RVJFONFXSUNWEJ-CQSZACIVSA-N	1	0	358.417	1.970	20	30		FDEDRO
N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(NC(N)=O)CC1)CCC2	ZINC000081540861	172192189	/nfs/dbraw/zinc/19/21/89/172192189.db2.gz	MLZHKPANCBMQHP-UHFFFAOYSA-N	1	0	361.471	1.570	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H](N2CC[C@H](C[NH+]3CCOCC3)C2)C1=O	ZINC000083212970	172203188	/nfs/dbraw/zinc/20/31/88/172203188.db2.gz	XDNURKRBIZZDLR-ZBFHGGJFSA-N	1	0	360.483	1.379	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2CCN(c3ccccc3C#N)CC2)CC1	ZINC000101554782	172333859	/nfs/dbraw/zinc/33/38/59/172333859.db2.gz	HDTJFIKIZVAPPD-UHFFFAOYSA-N	1	0	355.486	1.281	20	30		FDEDRO
Cc1noc(CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1	ZINC000102034646	172345280	/nfs/dbraw/zinc/34/52/80/172345280.db2.gz	XBPOVKPTAKXXQZ-UHFFFAOYSA-N	1	0	356.430	1.566	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)CC1CC[NH+](C)CC1	ZINC000103452506	172366149	/nfs/dbraw/zinc/36/61/49/172366149.db2.gz	NNDYBQSVGHREES-UHFFFAOYSA-N	1	0	368.485	1.951	20	30		FDEDRO
CC1(C)NC(=O)N(CC[NH+]2CCC(Oc3cccc(C#N)c3)CC2)C1=O	ZINC000104712908	172383083	/nfs/dbraw/zinc/38/30/83/172383083.db2.gz	IJUGUGDEMSNXFU-UHFFFAOYSA-N	1	0	356.426	1.732	20	30		FDEDRO
C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@H]1CCCN(c2ccccc2C#N)C1	ZINC000126197727	173032328	/nfs/dbraw/zinc/03/23/28/173032328.db2.gz	DDZYGEBBOIPDSP-LPHOPBHVSA-N	1	0	359.474	1.139	20	30		FDEDRO
CN(C)C(=O)CN1CCCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1	ZINC000130116750	173159948	/nfs/dbraw/zinc/15/99/48/173159948.db2.gz	ATJBHKJUKQPQNN-UHFFFAOYSA-N	1	0	372.469	1.338	20	30		FDEDRO
N#Cc1ccc(OCCC[NH+]2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1	ZINC000131184721	173193319	/nfs/dbraw/zinc/19/33/19/173193319.db2.gz	KTILVHTYQYGCKL-IBGZPJMESA-N	1	0	356.470	1.741	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000131539694	173206248	/nfs/dbraw/zinc/20/62/48/173206248.db2.gz	GNZUXSVRJNZYPA-MSOLQXFVSA-N	1	0	370.453	1.186	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c(F)c1	ZINC000135974986	173355157	/nfs/dbraw/zinc/35/51/57/173355157.db2.gz	NJOBKSIPMQWFJQ-UHFFFAOYSA-N	1	0	374.416	1.207	20	30		FDEDRO
Cn1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1=O	ZINC000173493737	258301083	/nfs/dbraw/zinc/30/10/83/258301083.db2.gz	FXTKFYQXKVKXBK-UHFFFAOYSA-N	1	0	353.426	1.853	20	30		FDEDRO
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)n1	ZINC000179508591	258353059	/nfs/dbraw/zinc/35/30/59/258353059.db2.gz	ADRUOEDXGRCPAL-UHFFFAOYSA-N	1	0	372.473	1.439	20	30		FDEDRO
Cn1cc(C[NH2+]CC(=O)NCC(F)(F)F)c(-c2ccc(C#N)cc2)n1	ZINC000180062474	258361290	/nfs/dbraw/zinc/36/12/90/258361290.db2.gz	DMAQPZOPIFEZPO-UHFFFAOYSA-N	1	0	351.332	1.727	20	30		FDEDRO
CNC(=O)CN1CCC([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC000180049286	258361489	/nfs/dbraw/zinc/36/14/89/258361489.db2.gz	FRGMWLXDBOJFRA-UHFFFAOYSA-N	1	0	366.469	1.259	20	30		FDEDRO
C[NH2+]C1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1	ZINC000178951249	258340886	/nfs/dbraw/zinc/34/08/86/258340886.db2.gz	OVMVTNLAWQTVLW-UHFFFAOYSA-N	1	0	358.261	1.693	20	30		FDEDRO
COC(=O)C[C@H]1CCCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000179133648	258344479	/nfs/dbraw/zinc/34/44/79/258344479.db2.gz	BYSPGOIGHLOBLQ-MRXNPFEDSA-N	1	0	367.409	1.710	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[C@@H](SCC)C2)CC1	ZINC000553329813	543610600	/nfs/dbraw/zinc/61/06/00/543610600.db2.gz	QOQKMJNBXJJOHF-JKSUJKDBSA-N	1	0	353.532	1.934	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccc3c(c2)OCCO3)CC1	ZINC000553330151	543610646	/nfs/dbraw/zinc/61/06/46/543610646.db2.gz	YMXZCLWGAOBKDZ-UHFFFAOYSA-N	1	0	373.453	1.183	20	30		FDEDRO
COc1cccc(N2C[C@@H]([NH2+]C[C@@H]3CNc4c(C#N)cnn4C3)CC2=O)c1	ZINC000553425549	543634315	/nfs/dbraw/zinc/63/43/15/543634315.db2.gz	SGAGLLQZHUHOJA-HIFRSBDPSA-N	1	0	366.425	1.200	20	30		FDEDRO
C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)NCC(=O)NCC#N)cc2)C1	ZINC000553447557	543638332	/nfs/dbraw/zinc/63/83/32/543638332.db2.gz	VBNCVJLFXPMNTO-HZPDHXFCSA-N	1	0	371.485	1.603	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C3CCOCC3)C2)CC1	ZINC000553733179	543688343	/nfs/dbraw/zinc/68/83/43/543688343.db2.gz	MDBGVCYSIFXFCC-QGZVFWFLSA-N	1	0	363.502	1.418	20	30		FDEDRO
C[C@H]1OCC[C@]1(O)C[N@H+](CC(=O)NC1(C#N)CCC1)Cc1ccccc1	ZINC000554251992	543768866	/nfs/dbraw/zinc/76/88/66/543768866.db2.gz	XOWHZJYJLCHROL-UZLBHIALSA-N	1	0	357.454	1.591	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCc2nnc(C)n2C1	ZINC000554591331	543831502	/nfs/dbraw/zinc/83/15/02/543831502.db2.gz	RSWMIAUYBSMTIM-WMZOPIPTSA-N	1	0	356.470	1.907	20	30		FDEDRO
CCNC(=O)c1ccc(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)cc1	ZINC000554869160	543883766	/nfs/dbraw/zinc/88/37/66/543883766.db2.gz	PGCWALZJJOLDDP-SFHVURJKSA-N	1	0	353.422	1.837	20	30		FDEDRO
N#CCCN(C(=O)C[NH2+][C@H](C1CC1)[C@@]1(CO)CCCO1)c1ccccc1	ZINC000555761965	544024304	/nfs/dbraw/zinc/02/43/04/544024304.db2.gz	RTUSOFVGLJFUQP-UXHICEINSA-N	1	0	357.454	1.843	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1	ZINC000555860091	544042195	/nfs/dbraw/zinc/04/21/95/544042195.db2.gz	UTPKVYAHXMNABZ-NVXWUHKLSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CCn1c(CC(C)(C)C)nnc1N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1	ZINC000556445367	544144910	/nfs/dbraw/zinc/14/49/10/544144910.db2.gz	ZSNWSCKZVREETO-MRXNPFEDSA-N	1	0	374.533	1.843	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C)C[C@@H]2CC)cc1	ZINC000556684397	544174993	/nfs/dbraw/zinc/17/49/93/544174993.db2.gz	OPNKFBHCTNZKOH-INIZCTEOSA-N	1	0	373.457	1.485	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCO[C@H](c3ccccc3C)C2)CC1	ZINC000557730907	544337402	/nfs/dbraw/zinc/33/74/02/544337402.db2.gz	LWOOKJUXAUJSMQ-IBGZPJMESA-N	1	0	371.481	1.662	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CCNC(=O)N2CCc3ccccc3C2)CC1	ZINC000558293217	544408415	/nfs/dbraw/zinc/40/84/15/544408415.db2.gz	KRLBVBQKKHXRNS-UHFFFAOYSA-N	1	0	369.469	1.249	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CCSC1	ZINC000558077571	544381212	/nfs/dbraw/zinc/38/12/12/544381212.db2.gz	URCNXHCMSDMCRE-MRXNPFEDSA-N	1	0	360.483	1.070	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cncc(C#N)c2)[C@H](C)C1	ZINC000289466824	258824335	/nfs/dbraw/zinc/82/43/35/258824335.db2.gz	MRGVGGAUQJMIEK-RHSMWYFYSA-N	1	0	366.487	1.369	20	30		FDEDRO
CN(CCC[NH+]1CCN(C)CC1)[C@@H]1CCN(c2sccc2C#N)C1=O	ZINC000299710411	259018419	/nfs/dbraw/zinc/01/84/19/259018419.db2.gz	QGFMICMMFCKDAL-MRXNPFEDSA-N	1	0	361.515	1.294	20	30		FDEDRO
N#Cc1cc(S(N)(=O)=O)ccc1N1CC[NH+](CC2CCCCC2)CC1	ZINC000301343822	259025854	/nfs/dbraw/zinc/02/58/54/259025854.db2.gz	GLXNHUQEZQPQSE-UHFFFAOYSA-N	1	0	362.499	1.908	20	30		FDEDRO
Cn1c(NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(C#N)c(=O)n(C)c1=O	ZINC000301428393	259027429	/nfs/dbraw/zinc/02/74/29/259027429.db2.gz	PRRDLNSYCPYRBU-DOMZBBRYSA-N	1	0	373.482	1.512	20	30		FDEDRO
Cn1c(NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)c(C#N)c(=O)n(C)c1=O	ZINC000302509962	259042762	/nfs/dbraw/zinc/04/27/62/259042762.db2.gz	WZUQFSZFWFZQHI-QGZVFWFLSA-N	1	0	367.453	1.278	20	30		FDEDRO
C[C@@H](O)C[N@@H+]1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)[C@H](C)C1	ZINC000302762127	259045599	/nfs/dbraw/zinc/04/55/99/259045599.db2.gz	KNPHGMKJNYSIJE-CHWSQXEVSA-N	1	0	355.398	1.906	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@]4(CC[N@@H+](C)C4)C3)CC2)o1	ZINC000329238139	259086278	/nfs/dbraw/zinc/08/62/78/259086278.db2.gz	PLJPUKWZBVEVQS-IBGZPJMESA-N	1	0	357.458	1.625	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2cnc(C)c(C#N)c2)C[C@@H]1[NH+]1CCCC1	ZINC000330195672	259132715	/nfs/dbraw/zinc/13/27/15/259132715.db2.gz	PHGGSNJHFIWHDX-HOTGVXAUSA-N	1	0	366.512	1.462	20	30		FDEDRO
C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)c2cc(C#N)ccn2)CC1	ZINC000330714194	259159049	/nfs/dbraw/zinc/15/90/49/259159049.db2.gz	ALRLWKWVTMQTSO-UHFFFAOYSA-N	1	0	371.485	1.509	20	30		FDEDRO
Cc1ncc(S(=O)(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)cc1C#N	ZINC000331128571	259177491	/nfs/dbraw/zinc/17/74/91/259177491.db2.gz	INIDIBXPFORGMY-BETUJISGSA-N	1	0	366.487	1.428	20	30		FDEDRO
CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1sccc1C#N	ZINC000331186916	259180563	/nfs/dbraw/zinc/18/05/63/259180563.db2.gz	NUIZRFKHKGRVPI-NEPJUHHUSA-N	1	0	356.473	1.008	20	30		FDEDRO
C[C@@H]1C[N@H+](C)[C@H](C)CN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000331542681	259203031	/nfs/dbraw/zinc/20/30/31/259203031.db2.gz	GTFFTEBMBYHHEZ-HUUCEWRRSA-N	1	0	352.442	1.707	20	30		FDEDRO
C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H](C)[N@H+]1C	ZINC000331840661	259223482	/nfs/dbraw/zinc/22/34/82/259223482.db2.gz	PLIPVOIULLJUPQ-RVKKMQEKSA-N	1	0	369.469	1.788	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1	ZINC000331908236	259227840	/nfs/dbraw/zinc/22/78/40/259227840.db2.gz	ANCGBLJYMROTBX-IEBWSBKVSA-N	1	0	370.497	1.954	20	30		FDEDRO
CN1CC[NH+](CC2(C)CCN(C(=O)CNc3ccc(C#N)cc3)CC2)CC1	ZINC000331982772	259232986	/nfs/dbraw/zinc/23/29/86/259232986.db2.gz	NQLQJKFDVJJFCS-UHFFFAOYSA-N	1	0	369.513	1.846	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC(C[NH+](C)C)CC1	ZINC000332585122	259279590	/nfs/dbraw/zinc/27/95/90/259279590.db2.gz	JNTUMCPHXHCJDM-UHFFFAOYSA-N	1	0	368.485	1.951	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)CC2)c(Cl)c1	ZINC000333424039	259346560	/nfs/dbraw/zinc/34/65/60/259346560.db2.gz	GNPVZTVKMCQVCM-SFHVURJKSA-N	1	0	373.888	1.250	20	30		FDEDRO
N#Cc1cccc(CS(=O)(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1	ZINC000333482952	259352640	/nfs/dbraw/zinc/35/26/40/259352640.db2.gz	CIQCMDJJTJAMEI-ZWKOTPCHSA-N	1	0	363.483	1.606	20	30		FDEDRO
C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000333510350	259355687	/nfs/dbraw/zinc/35/56/87/259355687.db2.gz	FIYXRAZUSNHUMB-IAOVAPTHSA-N	1	0	355.442	1.493	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1	ZINC000333559487	259359036	/nfs/dbraw/zinc/35/90/36/259359036.db2.gz	WCTFNVQDFKWDIC-DOTOQJQBSA-N	1	0	370.453	1.138	20	30		FDEDRO
Cc1cc(S(=O)(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1C#N	ZINC000333697121	259370530	/nfs/dbraw/zinc/37/05/30/259370530.db2.gz	QIAXKLOWYARAKU-WMZOPIPTSA-N	1	0	363.483	1.774	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1C#N	ZINC000333732413	259375570	/nfs/dbraw/zinc/37/55/70/259375570.db2.gz	WIHJGHIDLMCTTK-AEFFLSMTSA-N	1	0	363.483	1.774	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](N3CCNCC3=O)C2)c(Br)c1	ZINC000333925945	259394494	/nfs/dbraw/zinc/39/44/94/259394494.db2.gz	VAEVTYDBFUYEDJ-ZDUSSCGKSA-N	1	0	363.259	1.721	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1	ZINC000363258025	259563616	/nfs/dbraw/zinc/56/36/16/259563616.db2.gz	COBXFWQETSJKDX-KSZLIROESA-N	1	0	352.438	1.231	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc1	ZINC000363258027	259564033	/nfs/dbraw/zinc/56/40/33/259564033.db2.gz	COBXFWQETSJKDX-RCCFBDPRSA-N	1	0	352.438	1.231	20	30		FDEDRO
Cc1cc(S(=O)(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1C#N	ZINC000365234813	259823936	/nfs/dbraw/zinc/82/39/36/259823936.db2.gz	QLNCLWJMLGGVLH-BPQIPLTHSA-N	1	0	363.483	1.739	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@]4(C3)CCCOC4)CC2)o1	ZINC000367450726	260043532	/nfs/dbraw/zinc/04/35/32/260043532.db2.gz	PGQBQHNNDBIGIH-IBGZPJMESA-N	1	0	373.457	1.006	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)c(F)c1	ZINC000367713156	260079803	/nfs/dbraw/zinc/07/98/03/260079803.db2.gz	QLAPNPOOJKABQL-GVDBMIGSSA-N	1	0	372.444	1.503	20	30		FDEDRO
C[C@@H]1C[C@H](CNC(=O)NCCn2cnc(C#N)n2)C[N@@H+]1Cc1ccccc1	ZINC000367736856	260083527	/nfs/dbraw/zinc/08/35/27/260083527.db2.gz	FWHACSNXTZNZSF-NVXWUHKLSA-N	1	0	367.457	1.360	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCCS(=O)(=O)C3)C2)c(F)c1	ZINC000367748481	260085715	/nfs/dbraw/zinc/08/57/15/260085715.db2.gz	IALPOBKQLAKCOG-GJZGRUSLSA-N	1	0	351.447	1.833	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CN(C(=O)NCCn3cnc(C#N)n3)C[C@@H]2[C@@H]1c1ccccc1	ZINC000367855140	260101028	/nfs/dbraw/zinc/10/10/28/260101028.db2.gz	FPDAIGAOYBXBMT-RYRKJORJSA-N	1	0	365.441	1.094	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)NCC1([NH+]2CCN(C)CC2)CCCCCC1	ZINC000368542449	260198932	/nfs/dbraw/zinc/19/89/32/260198932.db2.gz	GEYOIOUPVVMWAR-UHFFFAOYSA-N	1	0	357.502	1.967	20	30		FDEDRO
C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)C1CCN(c2cnccn2)CC1	ZINC000370040751	260477669	/nfs/dbraw/zinc/47/76/69/260477669.db2.gz	MOTNQIGBNXNEHS-GOSISDBHSA-N	1	0	367.453	1.689	20	30		FDEDRO
Cc1nccnc1N1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000374149968	261085299	/nfs/dbraw/zinc/08/52/99/261085299.db2.gz	WDAPFDRGICYPEP-UHFFFAOYSA-N	1	0	350.426	1.808	20	30		FDEDRO
CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCCN(c3ccccc3C#N)CC2)C1	ZINC000374860657	261213630	/nfs/dbraw/zinc/21/36/30/261213630.db2.gz	ZAEVWTIOAAWWGM-MRXNPFEDSA-N	1	0	362.499	1.352	20	30		FDEDRO
COC(=O)c1cn([C@H]2CC[N@H+](CCCOc3cccc(C#N)c3)C2)nn1	ZINC000375191640	261285116	/nfs/dbraw/zinc/28/51/16/261285116.db2.gz	FNMUEINBIPDXSO-HNNXBMFYSA-N	1	0	355.398	1.652	20	30		FDEDRO
N#Cc1ccc(OCCN2CCN(CC[N@@H+]3CCCOCC3)CC2)cc1	ZINC000375392601	261328802	/nfs/dbraw/zinc/32/88/02/261328802.db2.gz	LQVOMFGIXJRWRM-UHFFFAOYSA-N	1	0	358.486	1.277	20	30		FDEDRO
CN1CCC2(CC[NH+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)C1=O	ZINC000376031315	261478559	/nfs/dbraw/zinc/47/85/59/261478559.db2.gz	VNMJKUPDPFZMJW-SFHVURJKSA-N	1	0	366.465	1.998	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@H]1[NH+](C)C	ZINC000270548271	674225850	/nfs/dbraw/zinc/22/58/50/674225850.db2.gz	GHCMFQDIOYSNKN-ZIAGYGMSSA-N	1	0	359.904	1.878	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)cc1	ZINC000892186621	782043722	/nfs/dbraw/zinc/04/37/22/782043722.db2.gz	AHXAZMFIBLJQNI-FGTMMUONSA-N	1	0	353.470	1.778	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1	ZINC000972085856	782044641	/nfs/dbraw/zinc/04/46/41/782044641.db2.gz	DCVZXUKFCJJSEH-GUDVDZBRSA-N	1	0	357.498	1.722	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)CNc1ccc(C#N)cn1	ZINC000497729697	490204231	/nfs/dbraw/zinc/20/42/31/490204231.db2.gz	GJEAFRDNZMSOGO-UHFFFAOYSA-N	1	0	352.398	1.164	20	30		FDEDRO
N#Cc1ccc(NCC(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)nc1	ZINC000501971109	490662146	/nfs/dbraw/zinc/66/21/46/490662146.db2.gz	HTPIXVPSCJVZQK-QGZVFWFLSA-N	1	0	357.458	1.469	20	30		FDEDRO
CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1	ZINC000526102247	490675614	/nfs/dbraw/zinc/67/56/14/490675614.db2.gz	WQDAGHMEENAOBM-UHFFFAOYSA-N	1	0	372.404	1.232	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000513160883	490711510	/nfs/dbraw/zinc/71/15/10/490711510.db2.gz	QHWXQTKXDRANBS-GFCCVEGCSA-N	1	0	370.388	1.032	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)NC[C@@H]3COCC[NH2+]3)n2)c(Cl)c1	ZINC000528690740	490820317	/nfs/dbraw/zinc/82/03/17/490820317.db2.gz	YSYRCZLWNUENPJ-GFCCVEGCSA-N	1	0	360.805	1.507	20	30		FDEDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000542843482	490912034	/nfs/dbraw/zinc/91/20/34/490912034.db2.gz	MNZSJQGIDDKTQP-ZDUSSCGKSA-N	1	0	371.420	1.250	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)nn1CCC#N	ZINC000600063858	492240451	/nfs/dbraw/zinc/24/04/51/492240451.db2.gz	QBXVTBLLZKTQEX-HNNXBMFYSA-N	1	0	358.446	1.177	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CCC(=O)NCCS(=O)(=O)N1CCSCC1	ZINC000330287768	676682955	/nfs/dbraw/zinc/68/29/55/676682955.db2.gz	COTPTFVPPRBTMS-AWEZNQCLSA-N	1	0	363.549	1.586	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)cc1Cl	ZINC000041785320	519667085	/nfs/dbraw/zinc/66/70/85/519667085.db2.gz	YSHZFWCHMNSWQC-UHFFFAOYSA-N	1	0	364.833	1.379	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1	ZINC000041965172	519674312	/nfs/dbraw/zinc/67/43/12/519674312.db2.gz	SBFZUZYIIKLYNG-UHFFFAOYSA-N	1	0	372.494	1.975	20	30		FDEDRO
N#CCCN(C(=O)CN1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1	ZINC000069859647	521962848	/nfs/dbraw/zinc/96/28/48/521962848.db2.gz	RXFWTBBUWXNCRC-LJQANCHMSA-N	1	0	370.497	1.977	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2nc(C)c(SCC(N)=O)s2)CC1	ZINC000057169307	522022083	/nfs/dbraw/zinc/02/20/83/522022083.db2.gz	DALCBCDKFWMWET-UHFFFAOYSA-N	1	0	352.485	1.313	20	30		FDEDRO
N#CCSCC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1	ZINC000058471527	522262820	/nfs/dbraw/zinc/26/28/20/522262820.db2.gz	WUJZWJSDMSATSV-UHFFFAOYSA-N	1	0	360.527	1.957	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN(C)Cc2cccc(C#N)c2)C1	ZINC000046518187	522318563	/nfs/dbraw/zinc/31/85/63/522318563.db2.gz	UCHHDASIFOOSRG-IBGZPJMESA-N	1	0	358.486	1.463	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@@H](C)S[C@@H](C)C3)CC2)o1	ZINC000072771830	522377583	/nfs/dbraw/zinc/37/75/83/522377583.db2.gz	AGYIJMRFGBZDJE-BETUJISGSA-N	1	0	363.487	1.329	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCC[NH+]2CCC(C)CC2)c1	ZINC000046955846	522399667	/nfs/dbraw/zinc/39/96/67/522399667.db2.gz	LYPCVOLRQYGMKO-UHFFFAOYSA-N	1	0	365.499	1.613	20	30		FDEDRO
C[NH+]1CCN(Cc2ccc(CNC(=O)N3CCC(C#N)CC3)cc2)CC1	ZINC000060990063	522429038	/nfs/dbraw/zinc/42/90/38/522429038.db2.gz	SGLCQIANMZXHPS-UHFFFAOYSA-N	1	0	355.486	1.879	20	30		FDEDRO
N#Cc1ccc(CN2CC[NH+](C[C@@H](O)COC[C@H]3CCCO3)CC2)cc1	ZINC000073021444	522452583	/nfs/dbraw/zinc/45/25/83/522452583.db2.gz	FKBUFFVOXZYTNT-WOJBJXKFSA-N	1	0	359.470	1.232	20	30		FDEDRO
C[NH+]=C(NCc1cn2ccc(C)cc2n1)N1CCN(c2ncccn2)CC1	ZINC000073446849	522530185	/nfs/dbraw/zinc/53/01/85/522530185.db2.gz	NYCOQXVKAVGFIK-UHFFFAOYSA-N	1	0	364.457	1.330	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC2(CNC(=O)C2)CC1)C(C)C	ZINC000073710622	522591973	/nfs/dbraw/zinc/59/19/73/522591973.db2.gz	KIXGEUXNBTVDLH-QGZVFWFLSA-N	1	0	362.518	1.997	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CCC[N@H+](Cc2ccccc2C)CC1	ZINC000073872666	522623162	/nfs/dbraw/zinc/62/31/62/522623162.db2.gz	VSPOINVZJVGTGE-KRWDZBQOSA-N	1	0	358.486	1.903	20	30		FDEDRO
Cn1c(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(C#N)c(=O)n(C)c1=O	ZINC000065202211	522790850	/nfs/dbraw/zinc/79/08/50/522790850.db2.gz	AFRKWRYPBFSGJO-INIZCTEOSA-N	1	0	367.453	1.280	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1	ZINC000050145206	522891264	/nfs/dbraw/zinc/89/12/64/522891264.db2.gz	JQJOHDVSADVGJG-UHFFFAOYSA-N	1	0	358.442	1.886	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C	ZINC000050165259	522895604	/nfs/dbraw/zinc/89/56/04/522895604.db2.gz	GUGVXHZYXQWFRD-KBPBESRZSA-N	1	0	358.442	1.884	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CC[NH+](CC2CC2)CC1	ZINC000065950949	522923606	/nfs/dbraw/zinc/92/36/06/522923606.db2.gz	TUSIOLGCQQWGBN-UHFFFAOYSA-N	1	0	364.453	1.710	20	30		FDEDRO
Cc1nc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)ccc1C#N	ZINC000075835864	522974655	/nfs/dbraw/zinc/97/46/55/522974655.db2.gz	ZOHYMUJYLUMNHN-UHFFFAOYSA-N	1	0	350.426	1.339	20	30		FDEDRO
CC1CC[NH+](CCNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1	ZINC000066240454	522994425	/nfs/dbraw/zinc/99/44/25/522994425.db2.gz	NUEWOZOVYRVFPT-UHFFFAOYSA-N	1	0	352.442	1.788	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1	ZINC000075939797	522996163	/nfs/dbraw/zinc/99/61/63/522996163.db2.gz	WJZSPABWSJFNQC-UHFFFAOYSA-N	1	0	354.370	1.498	20	30		FDEDRO
CC(C)[C@H](CNS(=O)(=O)c1cccc(C#N)c1)N1CC[NH+](C)CC1	ZINC000076160887	523030345	/nfs/dbraw/zinc/03/03/45/523030345.db2.gz	MSVAKRFBIPLJDH-KRWDZBQOSA-N	1	0	350.488	1.109	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1	ZINC000076255450	523057725	/nfs/dbraw/zinc/05/77/25/523057725.db2.gz	SJBAVFYRWVNMSW-CQSZACIVSA-N	1	0	361.417	1.624	20	30		FDEDRO
CCC[N@H+](CC(=O)N1CCN(C(=O)C2CC2)CC1)Cc1ccc(C#N)cc1	ZINC000051855345	523089440	/nfs/dbraw/zinc/08/94/40/523089440.db2.gz	ZNUJJNJLTUIYGP-UHFFFAOYSA-N	1	0	368.481	1.851	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1	ZINC000076487273	523123376	/nfs/dbraw/zinc/12/33/76/523123376.db2.gz	HRANMOWVZRKQHG-OAHLLOKOSA-N	1	0	372.469	1.242	20	30		FDEDRO
CC[NH+](CC)Cc1cccc(CNc2c(C#N)c(=O)n(C)c(=O)n2C)c1	ZINC000052427876	523171463	/nfs/dbraw/zinc/17/14/63/523171463.db2.gz	IGNSGZPKIXRBPT-UHFFFAOYSA-N	1	0	355.442	1.410	20	30		FDEDRO
CCCCN1C(=O)c2ccc(C(=O)NC3(C#N)CC[NH+](C)CC3)cc2C1=O	ZINC000077037369	523239612	/nfs/dbraw/zinc/23/96/12/523239612.db2.gz	CEAKDZSOQVJOAU-UHFFFAOYSA-N	1	0	368.437	1.800	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1	ZINC000077542756	523379420	/nfs/dbraw/zinc/37/94/20/523379420.db2.gz	RDVGDSCYNJEUSV-UHFFFAOYSA-N	1	0	362.405	1.253	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1	ZINC000067345526	523397033	/nfs/dbraw/zinc/39/70/33/523397033.db2.gz	BISNTXIFFQORAH-AWEZNQCLSA-N	1	0	358.442	1.744	20	30		FDEDRO
Cc1noc(CCCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1	ZINC000067464059	523460491	/nfs/dbraw/zinc/46/04/91/523460491.db2.gz	JUFIHACIZHCECY-UHFFFAOYSA-N	1	0	370.457	1.956	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)N1CCC(C[NH+]2CCOCC2)CC1	ZINC000053564072	523466296	/nfs/dbraw/zinc/46/62/96/523466296.db2.gz	XWOHJJPHECVHJF-INIZCTEOSA-N	1	0	357.454	1.896	20	30		FDEDRO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H]1CC[N@H+](C)C1	ZINC000077817429	523473844	/nfs/dbraw/zinc/47/38/44/523473844.db2.gz	JVDCDOOUJWQMGO-UONOGXRCSA-N	1	0	360.483	1.945	20	30		FDEDRO
C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)Cn3cnc(C#N)n3)cc2)C1	ZINC000053620561	523475896	/nfs/dbraw/zinc/47/58/96/523475896.db2.gz	LXZLPMKJECMPEE-OAHLLOKOSA-N	1	0	352.442	1.698	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCC1CC[NH+](C)CC1	ZINC000077830547	523482584	/nfs/dbraw/zinc/48/25/84/523482584.db2.gz	YXYWRONYYLGDLK-UHFFFAOYSA-N	1	0	358.442	1.742	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(C(N)=O)c1	ZINC000068310319	523755442	/nfs/dbraw/zinc/75/54/42/523755442.db2.gz	MILKXZXUKPNNED-UHFFFAOYSA-N	1	0	350.422	1.861	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NCC[NH+]2CCC(C)CC2)c1	ZINC000055240563	523776346	/nfs/dbraw/zinc/77/63/46/523776346.db2.gz	TUHCVRLEMSSVAA-UHFFFAOYSA-N	1	0	365.499	1.613	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCc2c[nH]nc2C1	ZINC000079790230	523792447	/nfs/dbraw/zinc/79/24/47/523792447.db2.gz	VGJLBVOLLPPUSC-KRWDZBQOSA-N	1	0	351.454	1.977	20	30		FDEDRO
COC(=O)c1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccn1	ZINC000080471483	523882971	/nfs/dbraw/zinc/88/29/71/523882971.db2.gz	VEMUSNOIBUOUIX-UHFFFAOYSA-N	1	0	366.421	1.944	20	30		FDEDRO
Cn1c(NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c(C#N)c(=O)n(C)c1=O	ZINC000080676582	523896954	/nfs/dbraw/zinc/89/69/54/523896954.db2.gz	GMLBDULDHUXHIQ-AWEZNQCLSA-N	1	0	361.833	1.324	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNS(=O)(=O)c3ccccc3C#N)ccn2)CC1	ZINC000156535055	524095265	/nfs/dbraw/zinc/09/52/65/524095265.db2.gz	ZCSQTEZDVIYJQT-UHFFFAOYSA-N	1	0	371.466	1.184	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)NCc1cccc(OCCN2CCOCC2)c1	ZINC000081725692	524172050	/nfs/dbraw/zinc/17/20/50/524172050.db2.gz	ZAQPKIMKHXZCJK-UHFFFAOYSA-N	1	0	368.437	1.538	20	30		FDEDRO
C=CC[N@@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)Cc1ccccc1	ZINC000121382297	524241042	/nfs/dbraw/zinc/24/10/42/524241042.db2.gz	MNVJDSHPIVHSCU-UHFFFAOYSA-N	1	0	367.453	1.512	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1	ZINC000121522031	524281950	/nfs/dbraw/zinc/28/19/50/524281950.db2.gz	PZWZTYUQGLWVBF-UHFFFAOYSA-N	1	0	356.470	1.802	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000139640406	524293463	/nfs/dbraw/zinc/29/34/63/524293463.db2.gz	DRZGQEACRREMFT-AWEZNQCLSA-N	1	0	358.446	1.349	20	30		FDEDRO
CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000157616842	524308051	/nfs/dbraw/zinc/30/80/51/524308051.db2.gz	NXJXLJZZYUOIFL-LBPRGKRZSA-N	1	0	352.416	1.429	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)Cc2ccc(OCC#N)cc2)CC1	ZINC000111661215	524320950	/nfs/dbraw/zinc/32/09/50/524320950.db2.gz	LMKGXSJIVFQLSB-QGZVFWFLSA-N	1	0	358.486	1.521	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)c(OC)c(F)c2)CC1	ZINC000173274127	524358684	/nfs/dbraw/zinc/35/86/84/524358684.db2.gz	ZYZSJXBPKLOOQU-UHFFFAOYSA-N	1	0	353.369	1.679	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2ccccc2C#N)CC1	ZINC000111866235	524365636	/nfs/dbraw/zinc/36/56/36/524365636.db2.gz	LDAJDUGKVOWJTP-SFHVURJKSA-N	1	0	371.485	1.501	20	30		FDEDRO
CN(C1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1)S(C)(=O)=O	ZINC000143390696	524368590	/nfs/dbraw/zinc/36/85/90/524368590.db2.gz	AMWWFAVCNHBSOZ-UHFFFAOYSA-N	1	0	370.500	1.304	20	30		FDEDRO
N#CCCn1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)n1	ZINC000086462898	524398408	/nfs/dbraw/zinc/39/84/08/524398408.db2.gz	CPRDSBAXLPESCK-HNNXBMFYSA-N	1	0	358.446	1.116	20	30		FDEDRO
CC[C@H](NC(=O)N1CCO[C@H](C#N)C1)[C@H]1CN(Cc2ccccc2)CCO1	ZINC000121903965	524401894	/nfs/dbraw/zinc/40/18/94/524401894.db2.gz	DHHSUKBVKCZEIQ-CEXWTWQISA-N	1	0	372.469	1.600	20	30		FDEDRO
C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC[N@@H+]1C	ZINC000121932934	524412437	/nfs/dbraw/zinc/41/24/37/524412437.db2.gz	KTCIHARSKMHODY-NEPJUHHUSA-N	1	0	352.416	1.570	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccn(CC(F)(F)F)n1	ZINC000122111501	524453717	/nfs/dbraw/zinc/45/37/17/524453717.db2.gz	XTKBXYVXXYYPFM-UHFFFAOYSA-N	1	0	374.367	1.078	20	30		FDEDRO
CCCC[N@H+](C)CCNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000112310554	524457586	/nfs/dbraw/zinc/45/75/86/524457586.db2.gz	FYUWLSCTKNCQOU-UHFFFAOYSA-N	1	0	351.472	1.321	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1	ZINC000149720050	524465630	/nfs/dbraw/zinc/46/56/30/524465630.db2.gz	JZEXWSJUCWZILO-UHFFFAOYSA-N	1	0	356.386	1.663	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000122167049	524467534	/nfs/dbraw/zinc/46/75/34/524467534.db2.gz	HSVUPUNCBJWTPP-UHFFFAOYSA-N	1	0	373.461	1.142	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000088820436	524475006	/nfs/dbraw/zinc/47/50/06/524475006.db2.gz	WDGJYPJRPQXOIP-UHFFFAOYSA-N	1	0	358.373	1.819	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21	ZINC000122226855	524485013	/nfs/dbraw/zinc/48/50/13/524485013.db2.gz	FHXAIFPMZPZUTC-VYDXJSESSA-N	1	0	370.453	1.859	20	30		FDEDRO
C[NH+](C)CCn1ccc(NC(=O)N2CCN(c3ccccc3C#N)CC2)n1	ZINC000173935748	524487159	/nfs/dbraw/zinc/48/71/59/524487159.db2.gz	ATKUOMNWSGTCOH-UHFFFAOYSA-N	1	0	367.457	1.670	20	30		FDEDRO
CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000150883390	524498942	/nfs/dbraw/zinc/49/89/42/524498942.db2.gz	XWFHXPLSEQJEOG-CYBMUJFWSA-N	1	0	359.879	1.847	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)c1C#N	ZINC000089663879	524518818	/nfs/dbraw/zinc/51/88/18/524518818.db2.gz	KOCMVWOMFFMBAE-LBPRGKRZSA-N	1	0	352.398	1.711	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3cccc(OCC#N)c3)C2)CC1	ZINC000089769361	524525555	/nfs/dbraw/zinc/52/55/55/524525555.db2.gz	URCCMKRMPRIXCT-SFHVURJKSA-N	1	0	356.470	1.370	20	30		FDEDRO
Cc1nc(NC(=O)[C@@H](C)[N@H+](C)CCCc2[nH]nc(N)c2C#N)sc1C	ZINC000089943693	524557440	/nfs/dbraw/zinc/55/74/40/524557440.db2.gz	FZUHBERXYMVRLK-SNVBAGLBSA-N	1	0	361.475	1.829	20	30		FDEDRO
N#Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000158950850	524561352	/nfs/dbraw/zinc/56/13/52/524561352.db2.gz	XTQXVJIMDVYZDU-GFCCVEGCSA-N	1	0	357.863	1.337	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)ccc1Cl	ZINC000159016655	524576894	/nfs/dbraw/zinc/57/68/94/524576894.db2.gz	NZGQYUGPMQOPFW-UHFFFAOYSA-N	1	0	357.863	1.337	20	30		FDEDRO
C=CCCOCCNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000122726135	524603728	/nfs/dbraw/zinc/60/37/28/524603728.db2.gz	RQMHMFUCCUACIE-MOPGFXCFSA-N	1	0	361.486	1.761	20	30		FDEDRO
C=CCCOCC[NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000090883482	524616561	/nfs/dbraw/zinc/61/65/61/524616561.db2.gz	SURMAWKVQPMPDB-INIZCTEOSA-N	1	0	368.499	1.951	20	30		FDEDRO
CN(C(=O)CNc1cccc(C#N)c1)C1CC[NH+](CCn2cccn2)CC1	ZINC000159323778	524643397	/nfs/dbraw/zinc/64/33/97/524643397.db2.gz	MAJMZDSJNGXLKE-UHFFFAOYSA-N	1	0	366.469	1.790	20	30		FDEDRO
CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	ZINC000151728819	524665804	/nfs/dbraw/zinc/66/58/04/524665804.db2.gz	FUJKZJLNZYGTKS-AWEZNQCLSA-N	1	0	366.849	1.623	20	30		FDEDRO
CCC(CC)[C@H](CNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N)[NH+](C)C	ZINC000091229082	524670125	/nfs/dbraw/zinc/67/01/25/524670125.db2.gz	BSTMHODNMUIGRC-HNNXBMFYSA-N	1	0	362.478	1.757	20	30		FDEDRO
N#CCCn1cc(C[NH2+]CCC(=O)N2CCOCC2)c(-c2ccccc2)n1	ZINC000113325584	524670713	/nfs/dbraw/zinc/67/07/13/524670713.db2.gz	MFIMRYXNSIKSGD-UHFFFAOYSA-N	1	0	367.453	1.802	20	30		FDEDRO
C#CCOc1ccc(C[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)cc1	ZINC000113341615	524672019	/nfs/dbraw/zinc/67/20/19/524672019.db2.gz	ZLOWBVGWRJOUOW-SFHVURJKSA-N	1	0	366.483	1.277	20	30		FDEDRO
CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000123104054	524680863	/nfs/dbraw/zinc/68/08/63/524680863.db2.gz	DWDCBAVSXBDCNT-CABCVRRESA-N	1	0	359.478	1.299	20	30		FDEDRO
CC[N@H+](CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1)C1CC1	ZINC000151913549	524725477	/nfs/dbraw/zinc/72/54/77/524725477.db2.gz	LFZLHWJEPOXANK-MRXNPFEDSA-N	1	0	358.467	1.883	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCC(n3cccn3)CC2)CC1	ZINC000091559963	524726831	/nfs/dbraw/zinc/72/68/31/524726831.db2.gz	XNOKAIGLKWNHHW-GOSISDBHSA-N	1	0	358.490	1.212	20	30		FDEDRO
C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC	ZINC000174894255	524783399	/nfs/dbraw/zinc/78/33/99/524783399.db2.gz	ZMLMEVVSKDYXDE-HNNXBMFYSA-N	1	0	374.485	1.856	20	30		FDEDRO
N#C[C@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCN1Cc1ccccc1	ZINC000114588661	524835186	/nfs/dbraw/zinc/83/51/86/524835186.db2.gz	YXHJPGDOEUGOGW-ICSRJNTNSA-N	1	0	367.497	1.890	20	30		FDEDRO
CCC[N@H+](C)C[C@H]1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1	ZINC000092618979	524900687	/nfs/dbraw/zinc/90/06/87/524900687.db2.gz	QDCJQGAPNPEZGZ-MOPGFXCFSA-N	1	0	363.550	1.342	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	ZINC000175243953	524915118	/nfs/dbraw/zinc/91/51/18/524915118.db2.gz	HVBRUAUFPVNYLF-UHFFFAOYSA-N	1	0	352.822	1.235	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN([C@H](C#N)c2ccccc2)CC1)[C@@H]1CCSC1	ZINC000160605400	524926710	/nfs/dbraw/zinc/92/67/10/524926710.db2.gz	LJMLRCGYNDPQEI-QZTJIDSGSA-N	1	0	358.511	1.833	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1	ZINC000152565161	524928011	/nfs/dbraw/zinc/92/80/11/524928011.db2.gz	DLKMNDLWJPSEDW-SFHVURJKSA-N	1	0	355.438	1.077	20	30		FDEDRO
C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)c2ccc(C#N)nc2)CC1	ZINC000115049756	524938737	/nfs/dbraw/zinc/93/87/37/524938737.db2.gz	SOWXQTVHXMSGBE-UHFFFAOYSA-N	1	0	363.421	1.983	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1	ZINC000093261431	524975170	/nfs/dbraw/zinc/97/51/70/524975170.db2.gz	BRWIHGANLCFHLC-HNNXBMFYSA-N	1	0	372.469	1.613	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2=O)CC1	ZINC000115500867	525006183	/nfs/dbraw/zinc/00/61/83/525006183.db2.gz	SUXMBQZQOPNSHG-LJQANCHMSA-N	1	0	353.466	1.986	20	30		FDEDRO
C[N@H+](CCCO)C1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000115545932	525015177	/nfs/dbraw/zinc/01/51/77/525015177.db2.gz	LDYRFONCJBAWGN-IBGZPJMESA-N	1	0	356.470	1.442	20	30		FDEDRO
N#Cc1ccc([C@H]([NH2+]CC2(N3CCOCC3)CCCCC2)C(N)=O)cc1	ZINC000115595248	525032807	/nfs/dbraw/zinc/03/28/07/525032807.db2.gz	MBJCFCDVLDTXOK-SFHVURJKSA-N	1	0	356.470	1.709	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)cc1	ZINC000161259576	525067158	/nfs/dbraw/zinc/06/71/58/525067158.db2.gz	NVAWXNZRDBGEBP-GOEBONIOSA-N	1	0	358.360	1.933	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1	ZINC000176348626	525087469	/nfs/dbraw/zinc/08/74/69/525087469.db2.gz	BDLVUHULEGRFEL-QGZVFWFLSA-N	1	0	358.442	1.301	20	30		FDEDRO
Cc1nc([N+](=O)[O-])cn1CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000116045803	525093665	/nfs/dbraw/zinc/09/36/65/525093665.db2.gz	AZPIGRMTMPPQCC-UHFFFAOYSA-N	1	0	370.413	1.562	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1	ZINC000161464727	525113587	/nfs/dbraw/zinc/11/35/87/525113587.db2.gz	PGIJBEOORJYSDX-HNNXBMFYSA-N	1	0	365.499	1.580	20	30		FDEDRO
CCc1nsc(N2CCN(C(NCc3nc(C)cs3)=[NH+]C)CC2)n1	ZINC000153165286	525127466	/nfs/dbraw/zinc/12/74/66/525127466.db2.gz	PRLXNKNSYMARGA-UHFFFAOYSA-N	1	0	365.532	1.763	20	30		FDEDRO
Cc1nnnn1-c1cccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c1	ZINC000176549202	525137278	/nfs/dbraw/zinc/13/72/78/525137278.db2.gz	GXKNQDHXSXBZSK-UHFFFAOYSA-N	1	0	356.434	1.670	20	30		FDEDRO
CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)c2cccc(Cl)c2C#N)CC1	ZINC000161670685	525149377	/nfs/dbraw/zinc/14/93/77/525149377.db2.gz	SWSADUQVAJQPCU-ZDUSSCGKSA-N	1	0	371.890	1.583	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)CC1	ZINC000153234421	525151470	/nfs/dbraw/zinc/15/14/70/525151470.db2.gz	ITNQOJJESUYPHR-KRWDZBQOSA-N	1	0	357.429	1.783	20	30		FDEDRO
Cc1cccc(S(=O)(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1C#N	ZINC000161714358	525158434	/nfs/dbraw/zinc/15/84/34/525158434.db2.gz	PTIXDFFTSVJYGI-HNNXBMFYSA-N	1	0	351.472	1.382	20	30		FDEDRO
N#CCCn1ccc(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)n1	ZINC000125190665	525161133	/nfs/dbraw/zinc/16/11/33/525161133.db2.gz	OKDWZQNMQATBES-JKSUJKDBSA-N	1	0	360.462	1.686	20	30		FDEDRO
COc1ccccc1CCNC(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153316210	525175861	/nfs/dbraw/zinc/17/58/61/525175861.db2.gz	HMIBVMJRAQXFDP-UHFFFAOYSA-N	1	0	370.457	1.095	20	30		FDEDRO
Cc1ccccc1CCNC(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153313845	525176028	/nfs/dbraw/zinc/17/60/28/525176028.db2.gz	BLDHYMPAGJKSQW-UHFFFAOYSA-N	1	0	354.458	1.395	20	30		FDEDRO
COc1ccccc1CNC(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153327740	525180309	/nfs/dbraw/zinc/18/03/09/525180309.db2.gz	KNGQRZQGUBBKBC-CYBMUJFWSA-N	1	0	370.457	1.441	20	30		FDEDRO
C[N@H+](CCNC(=O)C(=O)Nc1ccn(CCC#N)n1)Cc1ccc(F)cc1	ZINC000125527456	525210502	/nfs/dbraw/zinc/21/05/02/525210502.db2.gz	LLIBTUKHORQRLX-UHFFFAOYSA-N	1	0	372.404	1.123	20	30		FDEDRO
C[NH+](C)C[C@@](C)(O)CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1	ZINC000126468449	525314543	/nfs/dbraw/zinc/31/45/43/525314543.db2.gz	LGCAAPASXZKTDZ-UHYCVJNDSA-N	1	0	374.485	1.860	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1C#N	ZINC000153772266	525318073	/nfs/dbraw/zinc/31/80/73/525318073.db2.gz	VAFAEHWJSOXWPB-AWEZNQCLSA-N	1	0	358.442	1.742	20	30		FDEDRO
N#Cc1ccc(CCC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1	ZINC000103122798	525327247	/nfs/dbraw/zinc/32/72/47/525327247.db2.gz	YRSGRUYNMDWSQC-UHFFFAOYSA-N	1	0	354.454	1.257	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CCN1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000103150752	525333919	/nfs/dbraw/zinc/33/39/19/525333919.db2.gz	OUDDONAOHANVTM-UHFFFAOYSA-N	1	0	369.469	1.127	20	30		FDEDRO
CC(C)(C)[NH2+]CCNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1	ZINC000153876808	525351356	/nfs/dbraw/zinc/35/13/56/525351356.db2.gz	NRIKACXFSOBAJK-UHFFFAOYSA-N	1	0	351.472	1.882	20	30		FDEDRO
[NH2+]=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)N1CCOCC1	ZINC000104179788	525397656	/nfs/dbraw/zinc/39/76/56/525397656.db2.gz	CUYTVUCFCQVSIX-CYBMUJFWSA-N	1	0	367.291	1.922	20	30		FDEDRO
CCS(=O)(=O)NCCCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1	ZINC000104183823	525400003	/nfs/dbraw/zinc/40/00/03/525400003.db2.gz	TUGDRLBMRWJFNZ-UHFFFAOYSA-N	1	0	368.381	1.641	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)CC1	ZINC000178308802	525411055	/nfs/dbraw/zinc/41/10/55/525411055.db2.gz	KDEJQKOMIUCWTH-LJQANCHMSA-N	1	0	356.426	1.121	20	30		FDEDRO
C#CCC[NH+]1CCN(Cc2nnc3n2c2ccccc2c(=O)n3CC)CC1	ZINC000127373916	525414345	/nfs/dbraw/zinc/41/43/45/525414345.db2.gz	SVUNQMYTLBYWQK-UHFFFAOYSA-N	1	0	364.453	1.205	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(C[NH+](C)C)cc1	ZINC000163562264	525424793	/nfs/dbraw/zinc/42/47/93/525424793.db2.gz	QRECDAWEUNRUOP-HNNXBMFYSA-N	1	0	364.453	1.761	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1	ZINC000127655286	525447397	/nfs/dbraw/zinc/44/73/97/525447397.db2.gz	UNQVUCCIAROWDA-GOEBONIOSA-N	1	0	363.483	1.153	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(N3CCCC3=O)CC2)cc1	ZINC000104968111	525455043	/nfs/dbraw/zinc/45/50/43/525455043.db2.gz	RHARESVNPPQRKZ-GOSISDBHSA-N	1	0	357.454	1.579	20	30		FDEDRO
C#CCCOc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2NS(C)(=O)=O)cc1	ZINC000154291701	525484568	/nfs/dbraw/zinc/48/45/68/525484568.db2.gz	UWCQQNHINUEWSO-AEFFLSMTSA-N	1	0	350.484	1.896	20	30		FDEDRO
C=CCOc1cccc(C[NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)c1	ZINC000178908164	525501994	/nfs/dbraw/zinc/50/19/94/525501994.db2.gz	SFULQQAKMAKCQP-SFHVURJKSA-N	1	0	359.470	1.274	20	30		FDEDRO
N#Cc1ccc(C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)[nH]1	ZINC000128107940	525506323	/nfs/dbraw/zinc/50/63/23/525506323.db2.gz	XQESEDMSGQUGMN-INIZCTEOSA-N	1	0	365.437	1.514	20	30		FDEDRO
CC[C@@H](CC#N)NC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1	ZINC000128269582	525521870	/nfs/dbraw/zinc/52/18/70/525521870.db2.gz	UUBXPZONNDACMV-INIZCTEOSA-N	1	0	357.458	1.181	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CCNS(=O)(=O)c2ccccc2)CC1	ZINC000106040167	525552940	/nfs/dbraw/zinc/55/29/40/525552940.db2.gz	WNGLSKARVCBNLO-UHFFFAOYSA-N	1	0	365.499	1.512	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1	ZINC000106079453	525567217	/nfs/dbraw/zinc/56/72/17/525567217.db2.gz	DQBQPUJXGDGDRB-GPMSIDNRSA-N	1	0	358.490	1.820	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(F)(F)F)nc2)CC1	ZINC000179426792	525585150	/nfs/dbraw/zinc/58/51/50/525585150.db2.gz	MNFDDRIMQZPVIL-UHFFFAOYSA-N	1	0	356.348	1.806	20	30		FDEDRO
Cn1ncc([N+](=O)[O-])c1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000179592413	525605448	/nfs/dbraw/zinc/60/54/48/525605448.db2.gz	LBNFLCWNQWCLMK-UHFFFAOYSA-N	1	0	356.386	1.404	20	30		FDEDRO
CCC[C@@H]1CN(C(=O)Cn2cnc(C#N)n2)CC[N@@H+]1Cc1ccccc1	ZINC000179659340	525612003	/nfs/dbraw/zinc/61/20/03/525612003.db2.gz	UTLFZYVCPHBHFE-QGZVFWFLSA-N	1	0	352.442	1.663	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@H](CCCO)c2ccccc2)CC1	ZINC000179743285	525621181	/nfs/dbraw/zinc/62/11/81/525621181.db2.gz	KNZKKHQOEKNRRR-WOJBJXKFSA-N	1	0	372.513	1.782	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCN(c2cccnn2)CC1	ZINC000170649587	525657470	/nfs/dbraw/zinc/65/74/70/525657470.db2.gz	OPMXZLRLKINYCP-QGZVFWFLSA-N	1	0	364.453	1.934	20	30		FDEDRO
CC(C)[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)C(=O)N1CCOCC1	ZINC000180067590	525659808	/nfs/dbraw/zinc/65/98/08/525659808.db2.gz	UEIVJENZMXEOPU-SFHVURJKSA-N	1	0	358.442	1.360	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNC(=O)Nc2ccn(CCC#N)n2)ccn1	ZINC000129764154	525689449	/nfs/dbraw/zinc/68/94/49/525689449.db2.gz	NLSJHFNWFSQHIV-UHFFFAOYSA-N	1	0	357.418	1.454	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1	ZINC000119294407	525697693	/nfs/dbraw/zinc/69/76/93/525697693.db2.gz	NGCYWRHCJLVIQC-PBHICJAKSA-N	1	0	372.469	1.340	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1	ZINC000180426262	525707892	/nfs/dbraw/zinc/70/78/92/525707892.db2.gz	FQXNCJWKKDXYPA-CRAIPNDOSA-N	1	0	373.457	1.938	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2c[nH]nc2-c2ccccn2)CC1	ZINC000180474032	525709069	/nfs/dbraw/zinc/70/90/69/525709069.db2.gz	WQLWUCSJDJNKBT-UHFFFAOYSA-N	1	0	368.441	1.567	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C	ZINC000119353858	525717817	/nfs/dbraw/zinc/71/78/17/525717817.db2.gz	XJYTWEOHDVAGIB-CJNGLKHVSA-N	1	0	361.417	1.575	20	30		FDEDRO
COc1ccc(N2CC[NH+](CCCNc3cnc(C#N)cn3)CC2)cc1	ZINC000106463032	525730425	/nfs/dbraw/zinc/73/04/25/525730425.db2.gz	SQJMKRAMMICABQ-UHFFFAOYSA-N	1	0	352.442	1.981	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCCN2c3ccccc3CC2=O)cc1OC	ZINC000170909763	525766215	/nfs/dbraw/zinc/76/62/15/525766215.db2.gz	WRGWNENHTLKAIR-UHFFFAOYSA-N	1	0	368.437	1.697	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1	ZINC000180858448	525766348	/nfs/dbraw/zinc/76/63/48/525766348.db2.gz	HIRJDAADGZERCD-HOCLYGCPSA-N	1	0	350.850	1.687	20	30		FDEDRO
COc1ccccc1CNC(=[NH2+])NCCCS(=O)(=O)c1ccccc1	ZINC000170911807	525768376	/nfs/dbraw/zinc/76/83/76/525768376.db2.gz	YVVVJBPEZMTOQO-UHFFFAOYSA-N	1	0	361.467	1.964	20	30		FDEDRO
C[C@H](Cn1cc(Br)cn1)[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000180874868	525768811	/nfs/dbraw/zinc/76/88/11/525768811.db2.gz	GTIDNCRCBIFAPV-YAWLZAOSSA-N	1	0	368.235	1.150	20	30		FDEDRO
CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)cc1	ZINC000181020141	525790706	/nfs/dbraw/zinc/79/07/06/525790706.db2.gz	KWMDXQSHVMYISX-YVEFUNNKSA-N	1	0	364.471	1.054	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)Oc3ccccc3C#N)C2)CC1	ZINC000106803965	525793866	/nfs/dbraw/zinc/79/38/66/525793866.db2.gz	WSTNQDSBLRWBMJ-AEFFLSMTSA-N	1	0	356.470	1.564	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@H](Cn4ccnn4)C3)C2=O)cc1	ZINC000119916544	525908664	/nfs/dbraw/zinc/90/86/64/525908664.db2.gz	OPXDDEWYZRKCET-FUHWJXTLSA-N	1	0	350.426	1.667	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1	ZINC000181731374	525909485	/nfs/dbraw/zinc/90/94/85/525909485.db2.gz	APWUFYPCUSYKNX-AWEZNQCLSA-N	1	0	370.453	1.907	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)CC1CC[NH+](C)CC1	ZINC000181778161	525930314	/nfs/dbraw/zinc/93/03/14/525930314.db2.gz	ZATIZTVOHSYYNG-CQSZACIVSA-N	1	0	358.442	1.716	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1	ZINC000108404023	525965757	/nfs/dbraw/zinc/96/57/57/525965757.db2.gz	IZEOYMGSINSDSO-MRXNPFEDSA-N	1	0	363.483	1.365	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC(N3CCCNC3=O)CC2)CC1	ZINC000132799925	525994842	/nfs/dbraw/zinc/99/48/42/525994842.db2.gz	NGACKQYIJYWRPD-UHFFFAOYSA-N	1	0	363.506	1.616	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCC1CC[NH+](C)CC1	ZINC000120216695	525998184	/nfs/dbraw/zinc/99/81/84/525998184.db2.gz	AUSLWXNHCNZNIG-UHFFFAOYSA-N	1	0	368.485	1.999	20	30		FDEDRO
C[C@H]([NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1)c1cccc(C#N)c1	ZINC000181986424	526008850	/nfs/dbraw/zinc/00/88/50/526008850.db2.gz	YCIALNAXXYIJEN-AWEZNQCLSA-N	1	0	373.482	1.796	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000108783649	526022776	/nfs/dbraw/zinc/02/27/76/526022776.db2.gz	VWODIMLVHSKAJB-HNNXBMFYSA-N	1	0	366.469	1.751	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(N3CCCCC3=O)CC2)cc1	ZINC000120356562	526037506	/nfs/dbraw/zinc/03/75/06/526037506.db2.gz	VJZXUOBHYYNNBJ-SFHVURJKSA-N	1	0	357.454	1.775	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)N2CCN(C)CC2)CC1	ZINC000171565895	526037975	/nfs/dbraw/zinc/03/79/75/526037975.db2.gz	BUKDPKCCGOHIFC-FQEVSTJZSA-N	1	0	356.514	1.742	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-c3ncon3)cc2)CC1	ZINC000171621084	526052079	/nfs/dbraw/zinc/05/20/79/526052079.db2.gz	ZBQKPVZTFUCBNU-UHFFFAOYSA-N	1	0	369.425	1.832	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1F	ZINC000156161980	526069297	/nfs/dbraw/zinc/06/92/97/526069297.db2.gz	BAMSMIQXHXBANX-GXTWGEPZSA-N	1	0	369.462	1.489	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1	ZINC000120466186	526075672	/nfs/dbraw/zinc/07/56/72/526075672.db2.gz	UGLIKLKWMQOUKP-PBHICJAKSA-N	1	0	372.469	1.482	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)CC1	ZINC000171714780	526089168	/nfs/dbraw/zinc/08/91/68/526089168.db2.gz	GCJAGORAZJCBQF-IBGZPJMESA-N	1	0	355.482	1.987	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2nc3ncc(Br)cn3n2)CC1	ZINC000171714864	526089942	/nfs/dbraw/zinc/08/99/42/526089942.db2.gz	WVHBNHJTLQZYSU-UHFFFAOYSA-N	1	0	365.235	1.267	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccc3c(c2)[nH]c(=O)n(CC)c3=O)CC1	ZINC000171717706	526090655	/nfs/dbraw/zinc/09/06/55/526090655.db2.gz	XXMFBIMUAPHMTI-UHFFFAOYSA-N	1	0	356.426	1.090	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCc2ccc(C#N)cc2)CC1=O	ZINC000171725374	526097212	/nfs/dbraw/zinc/09/72/12/526097212.db2.gz	UEFJUJDFHJQSMA-QZTJIDSGSA-N	1	0	354.454	1.507	20	30		FDEDRO
C[NH+]1CCN(CCOc2ccc(NC(=O)c3c[nH]c(C#N)c3)cc2)CC1	ZINC000182231425	526103143	/nfs/dbraw/zinc/10/31/43/526103143.db2.gz	IFJDBLZGQKAHQE-UHFFFAOYSA-N	1	0	353.426	1.765	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N(CC)CC(=O)Nc1c(F)cccc1F	ZINC000134136156	526128333	/nfs/dbraw/zinc/12/83/33/526128333.db2.gz	PUYIDUJUKYCPPW-LLVKDONJSA-N	1	0	368.384	1.626	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC1	ZINC000156471005	526143466	/nfs/dbraw/zinc/14/34/66/526143466.db2.gz	RPEWTPCDUGUFEN-OAHLLOKOSA-N	1	0	371.489	1.443	20	30		FDEDRO
CC(=O)NC[C@@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000182697457	535847845	/nfs/dbraw/zinc/84/78/45/535847845.db2.gz	PGPXQRYKYVPBPJ-PKOBYXMFSA-N	1	0	354.454	1.902	20	30		FDEDRO
C[C@H]1C[N@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCCO1	ZINC000182747653	535856555	/nfs/dbraw/zinc/85/65/55/535856555.db2.gz	AVKWZQRIXFVERT-LPHOPBHVSA-N	1	0	374.460	1.645	20	30		FDEDRO
C[N@H+](CCCO)C1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000182791922	535863784	/nfs/dbraw/zinc/86/37/84/535863784.db2.gz	XVUHZUUJLINXHS-HXUWFJFHSA-N	1	0	370.497	1.832	20	30		FDEDRO
C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1	ZINC000183182567	535937069	/nfs/dbraw/zinc/93/70/69/535937069.db2.gz	OSNBKBSQCHNDEO-SFHVURJKSA-N	1	0	359.470	1.910	20	30		FDEDRO
COC[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C1CC1	ZINC000183451036	535983256	/nfs/dbraw/zinc/98/32/56/535983256.db2.gz	KIXGYKABFYJLOJ-HZPDHXFCSA-N	1	0	362.499	1.472	20	30		FDEDRO
COC(=O)c1cn(C2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)nn1	ZINC000183729352	536037997	/nfs/dbraw/zinc/03/79/97/536037997.db2.gz	RSCSLSUNFNHLFK-KRWDZBQOSA-N	1	0	355.398	1.307	20	30		FDEDRO
C#CCC(C)(C)C(=O)N1CCN(CCNC(=O)c2ccc(OC)cc2)CC1	ZINC000183818882	536053168	/nfs/dbraw/zinc/05/31/68/536053168.db2.gz	WKRHKEGJYKHJEY-UHFFFAOYSA-N	1	0	371.481	1.619	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCNC(=O)[C@@H]2c2ccc(F)cc2C)CC1	ZINC000184868819	536188651	/nfs/dbraw/zinc/18/86/51/536188651.db2.gz	HCANQBYIPMECQF-SFHVURJKSA-N	1	0	374.460	1.967	20	30		FDEDRO
C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)Cc1cccc(C#N)c1	ZINC000185336963	536205778	/nfs/dbraw/zinc/20/57/78/536205778.db2.gz	KRQPZLWZKCNEKU-OAHLLOKOSA-N	1	0	350.488	1.004	20	30		FDEDRO
C=CC[C@H](CO)[NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000186720066	536242448	/nfs/dbraw/zinc/24/24/48/536242448.db2.gz	MJBQOAUONGIMEV-GOEBONIOSA-N	1	0	354.472	1.295	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)cc1	ZINC000187696530	536271971	/nfs/dbraw/zinc/27/19/71/536271971.db2.gz	CSRILLXZNWYQNI-UHFFFAOYSA-N	1	0	358.442	1.094	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)cc1	ZINC000188208634	536285953	/nfs/dbraw/zinc/28/59/53/536285953.db2.gz	FSJHICIBYYDAJV-UHFFFAOYSA-N	1	0	372.469	1.484	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N(C)Cc1ccc(OC)cc1	ZINC000262822643	536910558	/nfs/dbraw/zinc/91/05/58/536910558.db2.gz	XMBZEWNMAZCPAQ-MRXNPFEDSA-N	1	0	356.474	1.865	20	30		FDEDRO
CC[NH+](CC)[C@H]1CCN(CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1	ZINC000266630189	536911788	/nfs/dbraw/zinc/91/17/88/536911788.db2.gz	PFIYBCMTMIEPIJ-HOCLYGCPSA-N	1	0	367.453	1.928	20	30		FDEDRO
C[C@@H](C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)[NH+]1CCCCCC1	ZINC000246359306	536935219	/nfs/dbraw/zinc/93/52/19/536935219.db2.gz	IGXUARDAUDCQPP-HOTGVXAUSA-N	1	0	356.474	1.650	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2C[C@@H](C)O[C@@H](C(N)=O)C2)c1	ZINC000246408283	536946737	/nfs/dbraw/zinc/94/67/37/536946737.db2.gz	JCZUNEIDEIXWNY-JFIYKMOQSA-N	1	0	372.469	1.513	20	30		FDEDRO
[NH2+]=C(NCc1ccc2c(n1)CCCC2)N1CCN(c2ncccn2)CC1	ZINC000262984541	536954975	/nfs/dbraw/zinc/95/49/75/536954975.db2.gz	UPEITWUWZYBNDS-UHFFFAOYSA-N	1	0	351.458	1.387	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1	ZINC000267397908	536975943	/nfs/dbraw/zinc/97/59/43/536975943.db2.gz	IKPXCFKHWATTSH-LSDHHAIUSA-N	1	0	361.417	1.765	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1ccc(F)cc1C#N	ZINC000267646528	536987115	/nfs/dbraw/zinc/98/71/15/536987115.db2.gz	QSUAEVCCXBJOEU-INIZCTEOSA-N	1	0	361.421	1.762	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000246660499	536998320	/nfs/dbraw/zinc/99/83/20/536998320.db2.gz	RXLVLOIOMNSFCI-IRXDYDNUSA-N	1	0	356.470	1.929	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@H](C)C[C@@H](C)C3)CC2)o1	ZINC000246706889	537007528	/nfs/dbraw/zinc/00/75/28/537007528.db2.gz	NFWXZUXFLZCNJJ-LSDHHAIUSA-N	1	0	359.474	1.871	20	30		FDEDRO
CCOc1ccnc(N2CCC[N@H+](C[C@@H](O)c3ccc(C#N)cc3)CC2)n1	ZINC000246723183	537012508	/nfs/dbraw/zinc/01/25/08/537012508.db2.gz	FVKFWYLVZRVRBE-GOSISDBHSA-N	1	0	367.453	1.993	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N(C)C1CC[NH+](CCC)CC1	ZINC000189274979	537020301	/nfs/dbraw/zinc/02/03/01/537020301.db2.gz	MYVREQXYBHYGDI-UHFFFAOYSA-N	1	0	357.454	1.970	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCCc2nc(C(=O)OCC)cs2)CC1	ZINC000189405295	537041501	/nfs/dbraw/zinc/04/15/01/537041501.db2.gz	MPHTWWAAHVBWAA-UHFFFAOYSA-N	1	0	366.487	1.812	20	30		FDEDRO
C[C@H]1C[N@H+](CC(C)(C)O)CCN1CC(=O)N(C)C1(C#N)CCCCC1	ZINC000189471784	537052456	/nfs/dbraw/zinc/05/24/56/537052456.db2.gz	MGVRLTAUVRLMQP-INIZCTEOSA-N	1	0	350.507	1.448	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)CC1=O	ZINC000246957316	537058023	/nfs/dbraw/zinc/05/80/23/537058023.db2.gz	JONOVRVELKEZKI-VIPLHTEESA-N	1	0	360.502	1.908	20	30		FDEDRO
C=C(C)CS(=O)(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1	ZINC000189593917	537071161	/nfs/dbraw/zinc/07/11/61/537071161.db2.gz	DNSAOFJHZNMWJS-UHFFFAOYSA-N	1	0	351.516	1.642	20	30		FDEDRO
C[C@@H]1CN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1CC(C)(C)O	ZINC000189913160	537115077	/nfs/dbraw/zinc/11/50/77/537115077.db2.gz	MMQBXZFMKHIRNN-CRAIPNDOSA-N	1	0	356.470	1.441	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1	ZINC000263959848	537133088	/nfs/dbraw/zinc/13/30/88/537133088.db2.gz	HRLSVBZFLMDRBI-UHFFFAOYSA-N	1	0	366.368	1.699	20	30		FDEDRO
CCOCCC[NH+]=C(NCCNC(C)=O)NCc1ccc(OC)cc1	ZINC000263964395	537133658	/nfs/dbraw/zinc/13/36/58/537133658.db2.gz	LLNHFMPVEBETBT-UHFFFAOYSA-N	1	0	350.463	1.293	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccc(-n3cccn3)cc2)CC1	ZINC000264101411	537137378	/nfs/dbraw/zinc/13/73/78/537137378.db2.gz	OCGHNRRQWDLIHL-UHFFFAOYSA-N	1	0	370.457	1.898	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NCCCC[NH+](C)C)ccc1F	ZINC000264913815	537150292	/nfs/dbraw/zinc/15/02/92/537150292.db2.gz	NVZYIXCKUNGDBI-UHFFFAOYSA-N	1	0	357.451	1.362	20	30		FDEDRO
C=CCc1cc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)cc(OC)c1O	ZINC000264965630	537150739	/nfs/dbraw/zinc/15/07/39/537150739.db2.gz	PLQLGFUYLUQFKA-ZPHPHTNESA-N	1	0	357.410	1.745	20	30		FDEDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000265492717	537153073	/nfs/dbraw/zinc/15/30/73/537153073.db2.gz	CGAUDDJXWLRFQD-FQEVSTJZSA-N	1	0	363.465	1.849	20	30		FDEDRO
C=CCCC[N@@H+](C)CC(=O)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O	ZINC000265495168	537153295	/nfs/dbraw/zinc/15/32/95/537153295.db2.gz	DAGSMHWNHRGVGX-LJQANCHMSA-N	1	0	374.441	1.391	20	30		FDEDRO
C=CCCC[N@@H+](C)CC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O	ZINC000265613891	537162065	/nfs/dbraw/zinc/16/20/65/537162065.db2.gz	LUACZSWKPXJHLU-IBGZPJMESA-N	1	0	374.441	1.391	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)CC1	ZINC000265649597	537164848	/nfs/dbraw/zinc/16/48/48/537164848.db2.gz	UAABFQNRFWXULR-UHFFFAOYSA-N	1	0	373.884	1.856	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@@]2(O)C[C@@H](OCC)C2(C)C)CC1	ZINC000190559336	537178436	/nfs/dbraw/zinc/17/84/36/537178436.db2.gz	PFTGYLRUBKNAIA-APWZRJJASA-N	1	0	353.507	1.892	20	30		FDEDRO
CCS(=O)(=O)CCCCCN1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000190683177	537182816	/nfs/dbraw/zinc/18/28/16/537182816.db2.gz	XKKDMPHILSWLCL-HNNXBMFYSA-N	1	0	365.503	1.464	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N(CC)CCC[NH+]1CCCC1	ZINC000190684116	537182822	/nfs/dbraw/zinc/18/28/22/537182822.db2.gz	RTLKINUQZCCAFM-UHFFFAOYSA-N	1	0	357.454	1.972	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1	ZINC000248481637	537187049	/nfs/dbraw/zinc/18/70/49/537187049.db2.gz	BJBNWVSVIIUEHV-MAUKXSAKSA-N	1	0	359.470	1.910	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(Nc3nccc(OC)n3)CC2)CC1	ZINC000191391509	537204255	/nfs/dbraw/zinc/20/42/55/537204255.db2.gz	BYYGLBDUEBMMDZ-UHFFFAOYSA-N	1	0	357.458	1.233	20	30		FDEDRO
Cc1ccoc1/C=c1\sc(=C(C#N)C#N)n(C2CC[NH+](C)CC2)c1=O	ZINC000266537718	537205888	/nfs/dbraw/zinc/20/58/88/537205888.db2.gz	KBSLYYWLCZUOBA-SXGWCWSVSA-N	1	0	354.435	1.105	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000248799974	537212921	/nfs/dbraw/zinc/21/29/21/537212921.db2.gz	PZIQKNNGZNPITO-ROUUACIJSA-N	1	0	369.469	1.300	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)C(C)C	ZINC000248847401	537216042	/nfs/dbraw/zinc/21/60/42/537216042.db2.gz	BDHRRIIPLLLMAB-YESZJQIVSA-N	1	0	359.536	1.629	20	30		FDEDRO
C[N@H+]1C[C@H]2CN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)C[C@H]2C1	ZINC000192509610	537225150	/nfs/dbraw/zinc/22/51/50/537225150.db2.gz	GKESAJHBOWYCFA-CALCHBBNSA-N	1	0	354.454	1.733	20	30		FDEDRO
CC[C@]1(CO)CCC[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1	ZINC000249597965	537239368	/nfs/dbraw/zinc/23/93/68/537239368.db2.gz	XJHPUUBESZNYRV-MJGOQNOKSA-N	1	0	350.507	1.163	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000250291450	537244471	/nfs/dbraw/zinc/24/44/71/537244471.db2.gz	TWFHVDNQVKRCIT-MOPGFXCFSA-N	1	0	369.513	1.054	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)CC1	ZINC000251887891	537248727	/nfs/dbraw/zinc/24/87/27/537248727.db2.gz	WMRLMWCSDOVAPX-QRVBRYPASA-N	1	0	372.517	1.649	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1	ZINC000193715095	537254938	/nfs/dbraw/zinc/25/49/38/537254938.db2.gz	RJQJVYJORRNHKF-AWEZNQCLSA-N	1	0	358.442	1.886	20	30		FDEDRO
C[C@H](Cn1cccn1)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000298691204	537275839	/nfs/dbraw/zinc/27/58/39/537275839.db2.gz	DRASZONMIOJSMH-MRXNPFEDSA-N	1	0	354.458	1.917	20	30		FDEDRO
C=CCn1c(C2CC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1	ZINC000282243161	537282076	/nfs/dbraw/zinc/28/20/76/537282076.db2.gz	KEZYRQFAFAALLL-KRWDZBQOSA-N	1	0	366.469	1.690	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2ccc(S(N)(=O)=O)c(C)c2)CC1	ZINC000278280510	537291385	/nfs/dbraw/zinc/29/13/85/537291385.db2.gz	PSXRMPDTFLBUCG-UHFFFAOYSA-N	1	0	366.487	1.092	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1	ZINC000363712139	537293176	/nfs/dbraw/zinc/29/31/76/537293176.db2.gz	NTIIEVBNDGHXBJ-AWEZNQCLSA-N	1	0	372.404	1.725	20	30		FDEDRO
CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000290282668	537312119	/nfs/dbraw/zinc/31/21/19/537312119.db2.gz	CKXDROYDJBKMPZ-CYBMUJFWSA-N	1	0	362.478	1.685	20	30		FDEDRO
C#CCCN1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2c2ncccn2)CC1	ZINC000363796628	537319083	/nfs/dbraw/zinc/31/90/83/537319083.db2.gz	KSNIIGSKYRFXKB-QRVBRYPASA-N	1	0	367.497	1.782	20	30		FDEDRO
O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1c(F)c(F)cc(F)c1F	ZINC000282779829	537337557	/nfs/dbraw/zinc/33/75/57/537337557.db2.gz	PDMVDYKKZAQSEY-SECBINFHSA-N	1	0	373.272	1.809	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1	ZINC000282909805	537344532	/nfs/dbraw/zinc/34/45/32/537344532.db2.gz	GSPDRWMCVBCFOC-FUHWJXTLSA-N	1	0	361.486	1.710	20	30		FDEDRO
CS[C@H]1CN(C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C[C@H]1[NH+](C)C	ZINC000270530473	537347032	/nfs/dbraw/zinc/34/70/32/537347032.db2.gz	VICITZITWNIHBW-CVEARBPZSA-N	1	0	362.499	1.712	20	30		FDEDRO
N#CCCOCC[N@@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1	ZINC000293110748	537348811	/nfs/dbraw/zinc/34/88/11/537348811.db2.gz	ONTZUGLKMVWNPN-LJQANCHMSA-N	1	0	357.502	1.846	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1	ZINC000283069744	537349521	/nfs/dbraw/zinc/34/95/21/537349521.db2.gz	USYJQFYOJQGLNQ-FUHWJXTLSA-N	1	0	364.515	1.619	20	30		FDEDRO
C=C(C)Cn1c(C2CC2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1	ZINC000283109619	537355061	/nfs/dbraw/zinc/35/50/61/537355061.db2.gz	AYMCOWQYIWIAAQ-UHFFFAOYSA-N	1	0	360.506	1.722	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(S(=O)(=O)CCCCCCC)CC1	ZINC000195268235	537382483	/nfs/dbraw/zinc/38/24/83/537382483.db2.gz	DPUXRQWCASIOMN-UHFFFAOYSA-N	1	0	357.520	1.044	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(C2CC[NH+]([C@@H](C)c3ccncc3)CC2)C1=O	ZINC000348609418	537396924	/nfs/dbraw/zinc/39/69/24/537396924.db2.gz	WMJLSYKRXPHYRM-YOEHRIQHSA-N	1	0	358.442	1.730	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)C[NH+](C)C	ZINC000293246832	537399884	/nfs/dbraw/zinc/39/98/84/537399884.db2.gz	RUGICTOJJMGTTR-SNVBAGLBSA-N	1	0	354.357	1.412	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1	ZINC000195340281	537402514	/nfs/dbraw/zinc/40/25/14/537402514.db2.gz	PXIDMSAGRYLPCY-UHFFFAOYSA-N	1	0	359.470	1.781	20	30		FDEDRO
C=CCCCNC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1	ZINC000284250505	537405437	/nfs/dbraw/zinc/40/54/37/537405437.db2.gz	MOOMPIUCMZADGN-IBGZPJMESA-N	1	0	372.513	1.564	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(C)c(N3C(=O)CNC3=O)c2)CC1	ZINC000280393857	537405946	/nfs/dbraw/zinc/40/59/46/537405946.db2.gz	ZVPDQHACJMTUCE-UHFFFAOYSA-N	1	0	354.410	1.335	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)CC2)c1C#N	ZINC000290758220	537405949	/nfs/dbraw/zinc/40/59/49/537405949.db2.gz	PSVWGEUUBSCQRQ-CQSZACIVSA-N	1	0	374.514	1.639	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[C@@H]1C	ZINC000293302254	537411948	/nfs/dbraw/zinc/41/19/48/537411948.db2.gz	DWIFBYFVIIMDOA-ZIAGYGMSSA-N	1	0	369.425	1.795	20	30		FDEDRO
CCOC(=O)c1ccc(N2CC[NH+](CCC(=O)N(C)CCC#N)CC2)nc1	ZINC000271620931	537468146	/nfs/dbraw/zinc/46/81/46/537468146.db2.gz	XEZMHWIVUSRLKU-UHFFFAOYSA-N	1	0	373.457	1.142	20	30		FDEDRO
C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)Nc3ccc(C#N)c(F)c3)C2)CC1	ZINC000290922953	537471914	/nfs/dbraw/zinc/47/19/14/537471914.db2.gz	XWVUATSVZKKHLJ-HNNXBMFYSA-N	1	0	358.417	1.826	20	30		FDEDRO
C#CCN(CC)C(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C	ZINC000299201052	537475791	/nfs/dbraw/zinc/47/57/91/537475791.db2.gz	NVSSYVASJRATPG-UHFFFAOYSA-N	1	0	356.470	1.557	20	30		FDEDRO
CC#CCN(C)C(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1	ZINC000293472880	537480074	/nfs/dbraw/zinc/48/00/74/537480074.db2.gz	OEOAXRPNGBIXOM-UHFFFAOYSA-N	1	0	374.460	1.776	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(-n2nc(C)cc2C)c1	ZINC000293520637	537498899	/nfs/dbraw/zinc/49/88/99/537498899.db2.gz	YVXZVTQDJMDMLW-UHFFFAOYSA-N	1	0	367.453	1.499	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCCN(c3nccs3)CC2)cc1	ZINC000299239361	537500833	/nfs/dbraw/zinc/50/08/33/537500833.db2.gz	LMOOTVRUKXSJLZ-MRXNPFEDSA-N	1	0	358.467	1.967	20	30		FDEDRO
CC#CCN(C)C(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1	ZINC000293565857	537515562	/nfs/dbraw/zinc/51/55/62/537515562.db2.gz	VOHJUOKDNBZOMS-UHFFFAOYSA-N	1	0	370.497	1.885	20	30		FDEDRO
C#CCC[NH+]1CCN(C[C@@H](O)COc2ccc(CC=C)cc2OC)CC1	ZINC000272006844	537518993	/nfs/dbraw/zinc/51/89/93/537518993.db2.gz	JFHLNYGPOYQJEO-LJQANCHMSA-N	1	0	358.482	1.804	20	30		FDEDRO
Cc1cc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)nn1CCC#N	ZINC000272071320	537521561	/nfs/dbraw/zinc/52/15/61/537521561.db2.gz	KLOSKNTVXDOLLG-HOTGVXAUSA-N	1	0	360.462	1.605	20	30		FDEDRO
CC(C)N1CCC[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1	ZINC000274397876	537526619	/nfs/dbraw/zinc/52/66/19/537526619.db2.gz	ACTFUBLIWKPVGO-KRWDZBQOSA-N	1	0	363.483	1.462	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](c3n[nH]cc3CN3CCOCC3)C2)C1=O	ZINC000281327815	537530274	/nfs/dbraw/zinc/53/02/74/537530274.db2.gz	LRBSGEUFAHBGQY-SJLPKXTDSA-N	1	0	373.501	1.208	20	30		FDEDRO
C#CCOc1ccccc1CNc1cc(N2CCN(C)C(=O)C2)ncn1	ZINC000274983053	537534833	/nfs/dbraw/zinc/53/48/33/537534833.db2.gz	ZOQAUJMIVSTZJR-UHFFFAOYSA-N	1	0	351.410	1.379	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CSc1cccc[n+]1[O-]	ZINC000299321928	537547911	/nfs/dbraw/zinc/54/79/11/537547911.db2.gz	GTBHQLCOMWETLH-UHFFFAOYSA-N	1	0	370.478	1.874	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1	ZINC000225428266	537547954	/nfs/dbraw/zinc/54/79/54/537547954.db2.gz	SKZHRJKWTVGXQG-SJORKVTESA-N	1	0	371.462	1.930	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2C)C1=O	ZINC000281565082	537563236	/nfs/dbraw/zinc/56/32/36/537563236.db2.gz	WTSJNGVNNNOSGX-KRWDZBQOSA-N	1	0	372.469	1.240	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC000275850761	537585469	/nfs/dbraw/zinc/58/54/69/537585469.db2.gz	HDCLLJCGTFTSPN-ROUUACIJSA-N	1	0	370.453	1.299	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCC[C@H]2CCC[NH2+]C2)cc1	ZINC000236670532	537595306	/nfs/dbraw/zinc/59/53/06/537595306.db2.gz	IYDIMUJYCOPTLT-CQSZACIVSA-N	1	0	351.472	1.270	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)cc1	ZINC000236665739	537595336	/nfs/dbraw/zinc/59/53/36/537595336.db2.gz	JDLSPNNOXMVPNT-UHFFFAOYSA-N	1	0	369.429	1.762	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCN(C)CC3)C2)c1	ZINC000365883093	537599289	/nfs/dbraw/zinc/59/92/89/537599289.db2.gz	CVYSQSUAZFPDJO-GOSISDBHSA-N	1	0	368.481	1.092	20	30		FDEDRO
CC(C)(CN1CCOCC1)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1	ZINC000308647721	537604498	/nfs/dbraw/zinc/60/44/98/537604498.db2.gz	NLBJXQPNBRTUBH-UHFFFAOYSA-N	1	0	351.472	1.032	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1	ZINC000237330107	537623576	/nfs/dbraw/zinc/62/35/76/537623576.db2.gz	ARLBOOLXAWAMRD-HIFRSBDPSA-N	1	0	351.472	1.350	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1	ZINC000293979510	537633908	/nfs/dbraw/zinc/63/39/08/537633908.db2.gz	MUCAAIBZGVSXBU-QGZVFWFLSA-N	1	0	359.445	1.749	20	30		FDEDRO
C[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)N1CCN(C)CC1	ZINC000329163583	537634871	/nfs/dbraw/zinc/63/48/71/537634871.db2.gz	GJBPFUZQDCAACA-SOLBZPMBSA-N	1	0	362.522	1.395	20	30		FDEDRO
C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]2CCC[NH2+]2)nc1C	ZINC000237671018	537636404	/nfs/dbraw/zinc/63/64/04/537636404.db2.gz	IZBXEIYKPLLSOI-SECBINFHSA-N	1	0	350.473	1.875	20	30		FDEDRO
CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1	ZINC000329417384	537636938	/nfs/dbraw/zinc/63/69/38/537636938.db2.gz	DKWMXBXYGBZXPY-OAHLLOKOSA-N	1	0	372.535	1.131	20	30		FDEDRO
CON(C)C(=O)C1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000291597316	537638040	/nfs/dbraw/zinc/63/80/40/537638040.db2.gz	BSKXWXLHPFOCGO-SFHVURJKSA-N	1	0	370.453	1.785	20	30		FDEDRO
O=C(NC1CC[NH+](CC2CCCC2)CC1)N[C@@H]1CCCS(=O)(=O)C1	ZINC000329829749	537643282	/nfs/dbraw/zinc/64/32/82/537643282.db2.gz	JLNSBDLRYHRUOR-MRXNPFEDSA-N	1	0	357.520	1.722	20	30		FDEDRO
C=C[C@H](CO)[NH2+]Cc1cc(I)c(OC)c(OC)c1	ZINC000289999802	537644841	/nfs/dbraw/zinc/64/48/41/537644841.db2.gz	YBQSJBHIRAMURL-SNVBAGLBSA-N	1	0	363.195	1.945	20	30		FDEDRO
CN1CCO[C@@H]2CN(C(=O)Nc3cccc(C(=O)N4CCCCC4)c3)C[C@H]21	ZINC000329923228	537646962	/nfs/dbraw/zinc/64/69/62/537646962.db2.gz	IHXPGNMDVRESCA-QZTJIDSGSA-N	1	0	372.469	1.873	20	30		FDEDRO
C[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3CCCN3C(N)=O)cc2)CC1	ZINC000329958520	537647593	/nfs/dbraw/zinc/64/75/93/537647593.db2.gz	MRPLAAULQSHHPQ-KRWDZBQOSA-N	1	0	359.474	1.848	20	30		FDEDRO
N#CC1(CS(=O)(=O)N2CCCC[C@H]2CN2CCOCC2)CCCCC1	ZINC000330008393	537649785	/nfs/dbraw/zinc/64/97/85/537649785.db2.gz	GOUYTGXULYMPEW-KRWDZBQOSA-N	1	0	369.531	1.977	20	30		FDEDRO
O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N[C@H]1CC[S@@](=O)C1	ZINC000330026600	537650144	/nfs/dbraw/zinc/65/01/44/537650144.db2.gz	LROJVLPKJJZIJN-QIPPXTIRSA-N	1	0	355.529	1.985	20	30		FDEDRO
CC(=O)N1CCC[C@@H](CNC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C1	ZINC000330029713	537650694	/nfs/dbraw/zinc/65/06/94/537650694.db2.gz	QNBCNOIRHPQTFX-KRWDZBQOSA-N	1	0	367.538	1.117	20	30		FDEDRO
Cn1cc([NH+]=C([O-])N[C@@H]2CCn3ccnc3C2)cc(Br)c1=O	ZINC000330232329	537652828	/nfs/dbraw/zinc/65/28/28/537652828.db2.gz	FKLZMTSGSLSOJL-SECBINFHSA-N	1	0	366.219	1.685	20	30		FDEDRO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1	ZINC000330931867	537661736	/nfs/dbraw/zinc/66/17/36/537661736.db2.gz	VYKXTNCHTYUYKC-CJNGLKHVSA-N	1	0	353.488	1.970	20	30		FDEDRO
CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(S(C)(=O)=O)s2)C1	ZINC000330942449	537662347	/nfs/dbraw/zinc/66/23/47/537662347.db2.gz	DBIDXYUGGADAQI-GFCCVEGCSA-N	1	0	359.517	1.839	20	30		FDEDRO
COc1ccc(OC)c(CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)c1	ZINC000331007246	537663625	/nfs/dbraw/zinc/66/36/25/537663625.db2.gz	TUGAMTWAGATYEY-UHFFFAOYSA-N	1	0	351.447	1.506	20	30		FDEDRO
Cc1nc2ccccn2c(=O)c1CC[NH+]1CCN(c2cc(C#N)ccn2)CC1	ZINC000290073915	537664681	/nfs/dbraw/zinc/66/46/81/537664681.db2.gz	UKRFXXFQHICXJP-UHFFFAOYSA-N	1	0	374.448	1.634	20	30		FDEDRO
CNS(=O)(=O)c1ccc(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)nc1	ZINC000331194742	537665416	/nfs/dbraw/zinc/66/54/16/537665416.db2.gz	YJTGTPHMXFGUJR-LLVKDONJSA-N	1	0	357.480	1.292	20	30		FDEDRO
C=CCOc1ccc(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)cc1OC	ZINC000285411939	537705528	/nfs/dbraw/zinc/70/55/28/537705528.db2.gz	FTUPIGGXGBLGMQ-UHFFFAOYSA-N	1	0	359.426	1.870	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000292202028	537716037	/nfs/dbraw/zinc/71/60/37/537716037.db2.gz	GQPZNOOBYKUHOU-UHFFFAOYSA-N	1	0	356.467	1.201	20	30		FDEDRO
CN(CCC[N@H+](C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O)CC[NH+](C)C	ZINC000298529963	537723135	/nfs/dbraw/zinc/72/31/35/537723135.db2.gz	MCUQHUNXTSXINQ-IBGZPJMESA-N	1	0	357.502	1.479	20	30		FDEDRO
C[C@H](c1ccccc1)[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)C(N)=O	ZINC000292373307	537730881	/nfs/dbraw/zinc/73/08/81/537730881.db2.gz	YRWDQBXNGHXHGF-BJZITVGISA-N	1	0	353.422	1.545	20	30		FDEDRO
Cc1cc(Br)cn2c(C[NH2+]CCn3cnc(C#N)n3)cnc12	ZINC000285636908	537739809	/nfs/dbraw/zinc/73/98/09/537739809.db2.gz	XLGKDYXCGTXQFN-UHFFFAOYSA-N	1	0	360.219	1.658	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2)cc1	ZINC000418793748	537768093	/nfs/dbraw/zinc/76/80/93/537768093.db2.gz	QFDDAPPESXQYTO-RBUKOAKNSA-N	1	0	355.486	1.903	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[N@@H+]2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)cc1	ZINC000375803505	537777687	/nfs/dbraw/zinc/77/76/87/537777687.db2.gz	CTIUKCOTRZRMPF-CEXWTWQISA-N	1	0	373.453	1.961	20	30		FDEDRO
C[C@@H]1C[C@@H](NS(=O)(=O)c2cccnc2C#N)CN1Cc1ccccc1	ZINC000398090018	537791512	/nfs/dbraw/zinc/79/15/12/537791512.db2.gz	NVYOWFHBLKYPSY-GDBMZVCRSA-N	1	0	356.451	1.895	20	30		FDEDRO
CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1	ZINC000407991418	537813972	/nfs/dbraw/zinc/81/39/72/537813972.db2.gz	VBLZEVJKHDTFAF-YPMHNXCESA-N	1	0	353.410	1.967	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1	ZINC000418913438	537844799	/nfs/dbraw/zinc/84/47/99/537844799.db2.gz	FBSKHFBUYZPCDN-USXIJHARSA-N	1	0	372.494	1.103	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC(C[NH+]2CCCCC2)CC1	ZINC000409582196	537865391	/nfs/dbraw/zinc/86/53/91/537865391.db2.gz	ZFOLKITYUFWJEL-INIZCTEOSA-N	1	0	356.536	1.911	20	30		FDEDRO
C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2)c1ccc(C#N)cc1	ZINC000414695737	537885322	/nfs/dbraw/zinc/88/53/22/537885322.db2.gz	OQAMRQYLSNXARI-ZDUSSCGKSA-N	1	0	364.405	1.856	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)cc1	ZINC000411970668	537914670	/nfs/dbraw/zinc/91/46/70/537914670.db2.gz	NPPBYPWYJUZTJR-WIYYLYMNSA-N	1	0	365.433	1.427	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)cc1	ZINC000377117429	537956942	/nfs/dbraw/zinc/95/69/42/537956942.db2.gz	AAVKSLBUACOQGV-XYPHTWIQSA-N	1	0	368.478	1.887	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C	ZINC000377295105	537958136	/nfs/dbraw/zinc/95/81/36/537958136.db2.gz	GHRSFEXIZZDYBE-RYRKJORJSA-N	1	0	364.515	1.965	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCCN(c3nccc(OC)n3)CC2)CC1	ZINC000377574047	537979986	/nfs/dbraw/zinc/97/99/86/537979986.db2.gz	DRPFZXHEOSSKBG-UHFFFAOYSA-N	1	0	374.489	1.357	20	30		FDEDRO
O=C(NC[C@H]1CCC[NH2+]C1)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000415323960	538007428	/nfs/dbraw/zinc/00/74/28/538007428.db2.gz	DSESJAFPNHLETD-KRWDZBQOSA-N	1	0	362.433	1.536	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1	ZINC000410899913	538008872	/nfs/dbraw/zinc/00/88/72/538008872.db2.gz	OFXSNOKDESFUTC-MSOLQXFVSA-N	1	0	364.534	1.426	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1	ZINC000415347802	538018618	/nfs/dbraw/zinc/01/86/18/538018618.db2.gz	DOZBEPVGVXROSR-UKRRQHHQSA-N	1	0	358.442	1.788	20	30		FDEDRO
C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)C1	ZINC000415361854	538024476	/nfs/dbraw/zinc/02/44/76/538024476.db2.gz	NVLUTTQPRFDUOJ-CQSZACIVSA-N	1	0	369.450	1.831	20	30		FDEDRO
N#Cc1ncc(C(F)(F)F)cc1NCCCC[NH+]1CCN(CCO)CC1	ZINC000413131195	538061394	/nfs/dbraw/zinc/06/13/94/538061394.db2.gz	ADCDRTTYIBVSNS-UHFFFAOYSA-N	1	0	371.407	1.774	20	30		FDEDRO
C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1	ZINC000415695712	538083596	/nfs/dbraw/zinc/08/35/96/538083596.db2.gz	SVNCTECNCAXLPT-OAHLLOKOSA-N	1	0	365.231	1.457	20	30		FDEDRO
Cc1ccc(-n2nc(CCCNC(=O)N[C@@H](C)[C@H](C)[NH3+])c(C#N)c2N)cc1	ZINC000418698209	538100004	/nfs/dbraw/zinc/10/00/04/538100004.db2.gz	CPBCHUNKBYGGPB-KBPBESRZSA-N	1	0	369.473	1.602	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CC2)cc1	ZINC000419867591	538123767	/nfs/dbraw/zinc/12/37/67/538123767.db2.gz	IEKFQQBSHGDCGJ-JKSUJKDBSA-N	1	0	370.453	1.314	20	30		FDEDRO
CC(C)n1nc2c(c1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)CCC2	ZINC000438755623	538132267	/nfs/dbraw/zinc/13/22/67/538132267.db2.gz	GNOXYPPJEKBHIC-UHFFFAOYSA-N	1	0	374.489	1.585	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1	ZINC000419896820	538135760	/nfs/dbraw/zinc/13/57/60/538135760.db2.gz	QFSJAZHVQUTIKD-ROUUACIJSA-N	1	0	359.470	1.682	20	30		FDEDRO
C=CCN=c1[nH]cc(C(=O)N2CC[C@H](OCC[NH+](CC)CC)C2)s1	ZINC000433216205	538217138	/nfs/dbraw/zinc/21/71/38/538217138.db2.gz	VYQWWSFODMXKNL-AWEZNQCLSA-N	1	0	352.504	2.314	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1	ZINC000420101625	538219704	/nfs/dbraw/zinc/21/97/04/538219704.db2.gz	LZFXQJAFVOCOTO-IBGZPJMESA-N	1	0	374.441	1.615	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1	ZINC000424115351	538238812	/nfs/dbraw/zinc/23/88/12/538238812.db2.gz	UWCKEDCRMPMLQK-HNNXBMFYSA-N	1	0	353.426	1.473	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2	ZINC000424119098	538240172	/nfs/dbraw/zinc/24/01/72/538240172.db2.gz	FCMMJXATFAAPEV-IRXDYDNUSA-N	1	0	370.453	1.962	20	30		FDEDRO
CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)[C@@H]([NH3+])CCCC#N)C1	ZINC000424119020	538240223	/nfs/dbraw/zinc/24/02/23/538240223.db2.gz	DBWBSXCRMTWWAR-STQMWFEESA-N	1	0	362.396	1.657	20	30		FDEDRO
CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)[C@H]([NH3+])CCCC#N)c1	ZINC000424124549	538241522	/nfs/dbraw/zinc/24/15/22/538241522.db2.gz	PAHWACQPIZOJHF-SWLSCSKDSA-N	1	0	352.460	1.723	20	30		FDEDRO
C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)[C@H]([NH3+])CCCC#N	ZINC000424152101	538247109	/nfs/dbraw/zinc/24/71/09/538247109.db2.gz	IGMUJTYPQHMHOA-IEBWSBKVSA-N	1	0	358.486	1.757	20	30		FDEDRO
C=CCn1cc(CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)nn1	ZINC000424483691	538311778	/nfs/dbraw/zinc/31/17/78/538311778.db2.gz	YQUIQHYOADTNSB-ZWKOTPCHSA-N	1	0	370.457	1.418	20	30		FDEDRO
C=CCn1cc(CNC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)nn1	ZINC000424909694	538358297	/nfs/dbraw/zinc/35/82/97/538358297.db2.gz	VLDYJIFMEAMHFO-UHFFFAOYSA-N	1	0	368.485	1.683	20	30		FDEDRO
C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)CC1(O)CCOCC1	ZINC000434992652	538372203	/nfs/dbraw/zinc/37/22/03/538372203.db2.gz	UJBHERCVJAOJJD-UHFFFAOYSA-N	1	0	355.442	1.832	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)C2(c3cccc(C#N)c3)CC2)CC1	ZINC000435026399	538376969	/nfs/dbraw/zinc/37/69/69/538376969.db2.gz	IGTOSKSMXWSJEJ-KRWDZBQOSA-N	1	0	354.498	1.980	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1	ZINC000443244348	538393180	/nfs/dbraw/zinc/39/31/80/538393180.db2.gz	KZBIVTZDESDNMD-LJQANCHMSA-N	1	0	371.462	1.474	20	30		FDEDRO
C[NH+](C)C1(CNS(=O)(=O)c2ccccc2C#N)Cc2ccccc2C1	ZINC000443244095	538393659	/nfs/dbraw/zinc/39/36/59/538393659.db2.gz	DSGIPHHPXUEUAS-UHFFFAOYSA-N	1	0	355.463	1.936	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1	ZINC000425873824	538414599	/nfs/dbraw/zinc/41/45/99/538414599.db2.gz	QIYLVSGMOXNYCH-GDBMZVCRSA-N	1	0	354.454	1.678	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)cc1	ZINC000448913687	538416503	/nfs/dbraw/zinc/41/65/03/538416503.db2.gz	QRRQVESSOZSMTF-UHFFFAOYSA-N	1	0	373.497	1.807	20	30		FDEDRO
C[C@@H]1CN(Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H](C)[N@H+]1CCO	ZINC000449530038	538424672	/nfs/dbraw/zinc/42/46/72/538424672.db2.gz	BRCKRGMKRDSPBK-CALCHBBNSA-N	1	0	368.485	1.746	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N(CCC#N)CCN2CCOCC2)CCCCC1	ZINC000460198562	538474470	/nfs/dbraw/zinc/47/44/70/538474470.db2.gz	XBPYKALNNPQSGO-UHFFFAOYSA-N	1	0	350.507	1.573	20	30		FDEDRO
C=C[C@H](CO)NC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000460273586	538477673	/nfs/dbraw/zinc/47/76/73/538477673.db2.gz	JGVSFBKFZBHVJD-MRXNPFEDSA-N	1	0	366.893	1.698	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C	ZINC000453954702	538480540	/nfs/dbraw/zinc/48/05/40/538480540.db2.gz	RTFCLMJEEAGLLQ-PVAVHDDUSA-N	1	0	373.453	1.860	20	30		FDEDRO
Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000500738453	538527908	/nfs/dbraw/zinc/52/79/08/538527908.db2.gz	FFJBIQXOQZXLKG-UHFFFAOYSA-N	1	0	354.370	1.158	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ncccc1OCCCC#N	ZINC000466599721	538558222	/nfs/dbraw/zinc/55/82/22/538558222.db2.gz	VGCNOPXASWCODD-OAHLLOKOSA-N	1	0	361.446	1.996	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCN(C(=O)NCC)C1)C(C)C	ZINC000472474158	538644066	/nfs/dbraw/zinc/64/40/66/538644066.db2.gz	ZLMBGEQJBRDNFU-DLBZAZTESA-N	1	0	365.522	1.788	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1	ZINC000483213563	538689575	/nfs/dbraw/zinc/68/95/75/538689575.db2.gz	MOHOHSOLEWERCT-SFHVURJKSA-N	1	0	351.410	1.310	20	30		FDEDRO
COCC[N@H+](C)CCOc1cccc(CNC(=O)c2cc(C#N)ccn2)c1	ZINC000497111887	538732283	/nfs/dbraw/zinc/73/22/83/538732283.db2.gz	CVFMGCOXAVIEPZ-UHFFFAOYSA-N	1	0	368.437	1.840	20	30		FDEDRO
C=CCn1cccc1C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1	ZINC000488852160	538770850	/nfs/dbraw/zinc/77/08/50/538770850.db2.gz	JYIBVRKKHBZCNY-UHFFFAOYSA-N	1	0	354.454	1.896	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1	ZINC000481034422	538870392	/nfs/dbraw/zinc/87/03/92/538870392.db2.gz	HNKCTBFKXIEEMT-BBWFWOEESA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCN(c3ccccc3)CC2)CC1	ZINC000561414129	545837984	/nfs/dbraw/zinc/83/79/84/545837984.db2.gz	OLLXVGQUWQGIKH-UHFFFAOYSA-N	1	0	370.497	1.492	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@H](OC)C2(CC)CC)CC1	ZINC000561413081	545838816	/nfs/dbraw/zinc/83/88/16/545838816.db2.gz	CIDVACGFHSKCNS-IRXDYDNUSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2ccncc2OC)CC1	ZINC000561415342	545839656	/nfs/dbraw/zinc/83/96/56/545839656.db2.gz	RIOSMBGZJHYUKL-AWEZNQCLSA-N	1	0	360.458	1.424	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)NCC[N@H+]3CC=C(C)CC3)CC2)c1C#N	ZINC000562242872	546066288	/nfs/dbraw/zinc/06/62/88/546066288.db2.gz	LGVQEOOTKAEPLV-UHFFFAOYSA-N	1	0	374.514	1.807	20	30		FDEDRO
CC1(C)OCC[C@H]1[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000562543242	546172669	/nfs/dbraw/zinc/17/26/69/546172669.db2.gz	YBRAGYDUOUJEND-GOEBONIOSA-N	1	0	362.499	1.614	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)NCCC2=CC[NH2+]CC2)n1	ZINC000562761414	546257646	/nfs/dbraw/zinc/25/76/46/546257646.db2.gz	WRRMPCJPFBLIDC-UHFFFAOYSA-N	1	0	354.389	2.314	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC1([NH3+])CCCCCC1	ZINC000562812854	546279856	/nfs/dbraw/zinc/27/98/56/546279856.db2.gz	RLOSJOFXXYXGOZ-HNNXBMFYSA-N	1	0	371.489	1.620	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)cc1	ZINC000562957990	546328867	/nfs/dbraw/zinc/32/88/67/546328867.db2.gz	QDZDTPIZGXMDLZ-GOSISDBHSA-N	1	0	371.481	1.607	20	30		FDEDRO
CCS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H](O)CN(C)CCC#N)cc1	ZINC000563013001	546354857	/nfs/dbraw/zinc/35/48/57/546354857.db2.gz	YPCZLXSOHKHZGU-GOEBONIOSA-N	1	0	353.488	1.337	20	30		FDEDRO
Cc1c(I)cn(CC[C@H]2CC[NH2+]C2)c(=O)c1C#N	ZINC000563080773	546393631	/nfs/dbraw/zinc/39/36/31/546393631.db2.gz	SECYLCIRLPCFKF-SNVBAGLBSA-N	1	0	357.195	1.633	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)Nc3cccc4c3CC[NH2+]C4)CC2)nc1	ZINC000563499066	546558922	/nfs/dbraw/zinc/55/89/22/546558922.db2.gz	KOYFIDIORAMMEY-UHFFFAOYSA-N	1	0	362.437	1.953	20	30		FDEDRO
COc1cc(C#N)ccc1OCCN1C(=O)N[C@@]2(CCCC[C@H]2C[NH3+])C1=O	ZINC000563883861	546722078	/nfs/dbraw/zinc/72/20/78/546722078.db2.gz	XPSPANSXAFNSKH-IFXJQAMLSA-N	1	0	372.425	1.385	20	30		FDEDRO
C[N@H+](CCCNCCS(=O)(=O)c1ccc(C#N)cn1)C1CCCCC1	ZINC000564202771	546843134	/nfs/dbraw/zinc/84/31/34/546843134.db2.gz	ATZWZLLDTHLWSY-UHFFFAOYSA-N	1	0	364.515	1.971	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(S(=O)(=O)Cc2ccc(CC#N)cc2)CC1	ZINC000564905555	547091925	/nfs/dbraw/zinc/09/19/25/547091925.db2.gz	OYINLZFTTDMTLG-UHFFFAOYSA-N	1	0	365.499	1.361	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@H]1CCC[N@H+]1CCOC	ZINC000565113924	547208080	/nfs/dbraw/zinc/20/80/80/547208080.db2.gz	BZFYNRQBWUSYLV-OAHLLOKOSA-N	1	0	365.499	1.490	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)ncc1C#N	ZINC000565182287	547239938	/nfs/dbraw/zinc/23/99/38/547239938.db2.gz	YCUAFDXHBHACMN-KRWDZBQOSA-N	1	0	363.421	1.591	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)ncc1C#N	ZINC000565188408	547244213	/nfs/dbraw/zinc/24/42/13/547244213.db2.gz	BTXUKXHOVHHNFJ-OAHLLOKOSA-N	1	0	357.458	1.684	20	30		FDEDRO
N#CCCC1CC[NH+](CC(=O)NCc2ccc(OCC(N)=O)cc2)CC1	ZINC000565361475	547320419	/nfs/dbraw/zinc/32/04/19/547320419.db2.gz	QGIACGDUBNTMNH-UHFFFAOYSA-N	1	0	358.442	1.183	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCOC[C@H]2CCCO2)cc1	ZINC000565397439	547332869	/nfs/dbraw/zinc/33/28/69/547332869.db2.gz	AFKYYBAPSFBQCM-MRXNPFEDSA-N	1	0	352.456	1.507	20	30		FDEDRO
Cc1ccc(C[C@@H](CO)[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)cc1	ZINC000565540124	547391243	/nfs/dbraw/zinc/39/12/43/547391243.db2.gz	IYVPCGYIHWYKHS-VQTJNVASSA-N	1	0	354.450	1.994	20	30		FDEDRO
Cc1ccccc1C[C@@H](CO)[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000565716264	547454645	/nfs/dbraw/zinc/45/46/45/547454645.db2.gz	BGTLVZPRPNYTGR-VQTJNVASSA-N	1	0	354.450	1.994	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCC(OC3CCC3)CC2)CC1	ZINC000565941430	547539586	/nfs/dbraw/zinc/53/95/86/547539586.db2.gz	SCUNFGQPFMAHAG-LJQANCHMSA-N	1	0	362.518	1.712	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)ncc1C#N	ZINC000565959106	547548591	/nfs/dbraw/zinc/54/85/91/547548591.db2.gz	JEQOFZVWHOSLDC-UHFFFAOYSA-N	1	0	357.458	1.781	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(C#N)n2)[C@H](C)C1	ZINC000566204044	547657259	/nfs/dbraw/zinc/65/72/59/547657259.db2.gz	DJCXQOGZRGFMRK-ZBFHGGJFSA-N	1	0	373.457	1.145	20	30		FDEDRO
C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCCn2cnc(C#N)n2)C1	ZINC000566566508	547811036	/nfs/dbraw/zinc/81/10/36/547811036.db2.gz	BKPMSOKSQDVQCK-GDBMZVCRSA-N	1	0	353.430	1.284	20	30		FDEDRO
COCCn1nnc2c1CC[N@H+](CCC(=O)Nc1sccc1C#N)C2	ZINC000566609174	547824449	/nfs/dbraw/zinc/82/44/49/547824449.db2.gz	LOCZIEVHGUPNKD-UHFFFAOYSA-N	1	0	360.443	1.245	20	30		FDEDRO
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC(CO)([NH2+]CC2CC2)CC1	ZINC000566680743	547850958	/nfs/dbraw/zinc/85/09/58/547850958.db2.gz	AGWUKFUEBNAXKC-GOSISDBHSA-N	1	0	357.454	1.599	20	30		FDEDRO
CCn1cc([C@H]2OCC[C@@H]2[NH2+]C[C@H](O)COc2ccc(C#N)cc2)cn1	ZINC000566969775	547947376	/nfs/dbraw/zinc/94/73/76/547947376.db2.gz	NYLJIQYJXSJMTE-YTQUADARSA-N	1	0	356.426	1.634	20	30		FDEDRO
C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000567180256	548024536	/nfs/dbraw/zinc/02/45/36/548024536.db2.gz	DIIUBXKHKYKEPZ-GFCCVEGCSA-N	1	0	363.849	1.782	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)CC1	ZINC000567188726	548026616	/nfs/dbraw/zinc/02/66/16/548026616.db2.gz	ZPIRNUFXLDSQLB-HZPDHXFCSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C	ZINC000567296201	548067115	/nfs/dbraw/zinc/06/71/15/548067115.db2.gz	FECAXJZMJLAELR-KURKYZTESA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCCN(S(C)(=O)=O)C1	ZINC000567681559	548210158	/nfs/dbraw/zinc/21/01/58/548210158.db2.gz	VTFHULNNNPAWIZ-DLBZAZTESA-N	1	0	368.499	1.168	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCC2CCS(=O)(=O)CC2)cc1	ZINC000567686025	548212400	/nfs/dbraw/zinc/21/24/00/548212400.db2.gz	TZAZUHQVBMNELZ-UHFFFAOYSA-N	1	0	370.496	1.136	20	30		FDEDRO
CC(C)n1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1	ZINC000567846269	548288965	/nfs/dbraw/zinc/28/89/65/548288965.db2.gz	NLHICHVVGIVQBG-QGZVFWFLSA-N	1	0	352.442	1.918	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NCC3CC[NH+](CC)CC3)cc2C1=O	ZINC000568121790	548405894	/nfs/dbraw/zinc/40/58/94/548405894.db2.gz	OCETZORKGQPGJB-UHFFFAOYSA-N	1	0	355.438	1.930	20	30		FDEDRO
C[C@@H](C(=O)N1CCCC1)N1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1	ZINC000568457953	548543902	/nfs/dbraw/zinc/54/39/02/548543902.db2.gz	QFZZRQRHPZDZBF-AWEZNQCLSA-N	1	0	357.414	1.599	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H]([NH2+]CCC(=O)Nc3cccnc3)C2=O)cc1	ZINC000568502188	548563075	/nfs/dbraw/zinc/56/30/75/548563075.db2.gz	HCBRBAYKRKXEHP-SFHVURJKSA-N	1	0	363.421	1.673	20	30		FDEDRO
Cc1cc(N2CCC([NH2+]C[C@H](O)COc3ccc(C#N)cc3)CC2)n[nH]1	ZINC000568622138	548610366	/nfs/dbraw/zinc/61/03/66/548610366.db2.gz	YHFDUSZLLBYQBT-KRWDZBQOSA-N	1	0	355.442	1.588	20	30		FDEDRO
COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C[C@H]2CNc3c(C#N)cnn3C2)CC1	ZINC000568765632	548672539	/nfs/dbraw/zinc/67/25/39/548672539.db2.gz	PUCWSDDWJFYTDT-XYPHTWIQSA-N	1	0	373.457	1.087	20	30		FDEDRO
C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000568954982	548743034	/nfs/dbraw/zinc/74/30/34/548743034.db2.gz	PNMKGLBUNQHTGZ-KRWDZBQOSA-N	1	0	370.501	1.905	20	30		FDEDRO
CC(C)NC(=O)c1cnn2c1C[C@H](C[NH2+]Cc1nc(C#N)cs1)CC2	ZINC000569412745	548907650	/nfs/dbraw/zinc/90/76/50/548907650.db2.gz	HFVPUHPDCPBFID-GFCCVEGCSA-N	1	0	358.471	1.702	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000569714544	549023972	/nfs/dbraw/zinc/02/39/72/549023972.db2.gz	ZJXOEOHBAFLWPE-IBGZPJMESA-N	1	0	370.497	1.292	20	30		FDEDRO
Cn1cc(N2CCC[C@H]([NH2+]C[C@@H](O)COc3ccc(CC#N)cc3)C2)cn1	ZINC000569803989	549053360	/nfs/dbraw/zinc/05/33/60/549053360.db2.gz	HMMDVFAEWQJAHN-PKOBYXMFSA-N	1	0	369.469	1.484	20	30		FDEDRO
CN1CC[NH+](CCCCNC(=O)c2cc(-c3cccc(C#N)c3)no2)CC1	ZINC000570495819	549300677	/nfs/dbraw/zinc/30/06/77/549300677.db2.gz	AENLLKVZLPCODG-UHFFFAOYSA-N	1	0	367.453	1.971	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H](CO)Cc2cccnc2)c1	ZINC000570720971	549388505	/nfs/dbraw/zinc/38/85/05/549388505.db2.gz	QWCBEPLCEQCLEN-KRWDZBQOSA-N	1	0	359.451	1.168	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCN(c3ccccc3F)C2=O)cc1	ZINC000570921211	549460472	/nfs/dbraw/zinc/46/04/72/549460472.db2.gz	QDYHVKPNJANNHE-QAPCUYQASA-N	1	0	369.396	1.832	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)cc1	ZINC000570926153	549462699	/nfs/dbraw/zinc/46/26/99/549462699.db2.gz	VDGZCSOORBUZTF-OAHLLOKOSA-N	1	0	359.430	1.191	20	30		FDEDRO
N#CCCn1cc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c(-c2ccncc2)n1	ZINC000571024873	549496684	/nfs/dbraw/zinc/49/66/84/549496684.db2.gz	NVDORSXTCDNEOB-WDYCEAGBSA-N	1	0	364.453	1.945	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)NCC[C@H]3CC[NH2+]C3)n2)c(Cl)c1	ZINC000571028115	549498659	/nfs/dbraw/zinc/49/86/59/549498659.db2.gz	BFQCPOLKDRHOAZ-GFCCVEGCSA-N	1	0	358.833	2.518	20	30		FDEDRO
COCCN(CCc1ccccc1)CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000571201422	549563095	/nfs/dbraw/zinc/56/30/95/549563095.db2.gz	MEWPUAOKCMDTJL-UHFFFAOYSA-N	1	0	373.478	1.918	20	30		FDEDRO
N#CCC[C@H](C#N)C[NH2+]C[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1	ZINC000571382587	549623700	/nfs/dbraw/zinc/62/37/00/549623700.db2.gz	XITQYXWBFDVYMS-QZTJIDSGSA-N	1	0	372.444	1.876	20	30		FDEDRO
CC[NH2+]CCCNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000571420463	549639833	/nfs/dbraw/zinc/63/98/33/549639833.db2.gz	OETBPBZMHNNBKL-UHFFFAOYSA-N	1	0	372.429	1.637	20	30		FDEDRO
C[C@H](C(=O)NCc1ccccc1F)N1CCN(c2cnccc2C#N)CC1	ZINC000571595399	549702139	/nfs/dbraw/zinc/70/21/39/549702139.db2.gz	SRFQTGUUVCFEEZ-OAHLLOKOSA-N	1	0	367.428	1.919	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@H](CO)C1CCOCC1	ZINC000571714808	549741663	/nfs/dbraw/zinc/74/16/63/549741663.db2.gz	XJAWLBLEQXZVLA-QGZVFWFLSA-N	1	0	369.425	1.060	20	30		FDEDRO
CC(C)[C@H](C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)N1CC[NH+](C)CC1	ZINC000571874923	549788182	/nfs/dbraw/zinc/78/81/82/549788182.db2.gz	GQLUKDNGXNMYIP-CTNGQTDRSA-N	1	0	374.529	1.354	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)cc1	ZINC000572158379	549855136	/nfs/dbraw/zinc/85/51/36/549855136.db2.gz	NXRFFOVMYVCMBT-IEBWSBKVSA-N	1	0	360.454	1.455	20	30		FDEDRO
C[NH+]1CCC(N(C[C@H](O)CC(C)(C)C)S(=O)(=O)CCCC#N)CC1	ZINC000572265220	549878839	/nfs/dbraw/zinc/87/88/39/549878839.db2.gz	IZKCYEOLPUYNNY-MRXNPFEDSA-N	1	0	359.536	1.813	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC(C#N)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000572562586	549942970	/nfs/dbraw/zinc/94/29/70/549942970.db2.gz	VVUPLWFMRNIOHK-LPHOPBHVSA-N	1	0	368.481	1.775	20	30		FDEDRO
C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+](C)CCOCc1ccc(C#N)cc1	ZINC000572678219	549970697	/nfs/dbraw/zinc/97/06/97/549970697.db2.gz	JIPSYPNWTYTRBV-CRAIPNDOSA-N	1	0	372.469	1.119	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)n2)c(F)c1	ZINC000572734352	549983577	/nfs/dbraw/zinc/98/35/77/549983577.db2.gz	JSTCYBYLAUSZLC-UKRRQHHQSA-N	1	0	354.389	2.099	20	30		FDEDRO
N#CCCC[C@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1ccccc1	ZINC000572736957	549984074	/nfs/dbraw/zinc/98/40/74/549984074.db2.gz	LDQKGEXODFZXBC-ZACQAIPSSA-N	1	0	355.442	1.375	20	30		FDEDRO
CN1CCN(S(=O)(=O)c2ccccc2C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1	ZINC000572804351	549997777	/nfs/dbraw/zinc/99/77/77/549997777.db2.gz	UJZSTYCOMXYFAY-NVXWUHKLSA-N	1	0	362.499	1.405	20	30		FDEDRO
CCCC[N@H+](C)C[C@@H](C)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1	ZINC000573294727	550105085	/nfs/dbraw/zinc/10/50/85/550105085.db2.gz	NYAGPKOTBXDHKP-CQSZACIVSA-N	1	0	366.487	1.073	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000573334711	550114303	/nfs/dbraw/zinc/11/43/03/550114303.db2.gz	YPOQKFZPIJIUKV-QGZVFWFLSA-N	1	0	363.425	1.405	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)N1CCC[C@H]2CCCC[C@@H]21	ZINC000573348215	550117855	/nfs/dbraw/zinc/11/78/55/550117855.db2.gz	WXJAXEPKBWILIW-PBHICJAKSA-N	1	0	358.490	1.909	20	30		FDEDRO
C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H]1CCC[NH2+]C1	ZINC000573549008	550162008	/nfs/dbraw/zinc/16/20/08/550162008.db2.gz	UQSJHDBPXSGKPO-JCGIZDLHSA-N	1	0	369.469	1.346	20	30		FDEDRO
CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCc1ccc(CC#N)cc1	ZINC000573682619	550191418	/nfs/dbraw/zinc/19/14/18/550191418.db2.gz	LVWXCMKLMIDOHS-GOSISDBHSA-N	1	0	356.470	1.750	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2	ZINC000573818209	550217228	/nfs/dbraw/zinc/21/72/28/550217228.db2.gz	OFWXTHIPLLMYHO-LJQANCHMSA-N	1	0	356.426	1.498	20	30		FDEDRO
Cc1nc2c(n1CCO)CC[C@@H](NC(=O)CSc1ccc(C#N)cc1)C2	ZINC000574788292	550370991	/nfs/dbraw/zinc/37/09/91/550370991.db2.gz	WLXJNEWZRHAUME-OAHLLOKOSA-N	1	0	370.478	1.821	20	30		FDEDRO
C=CCn1c([C@@H]2CCOC2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C	ZINC000574961416	550399734	/nfs/dbraw/zinc/39/97/34/550399734.db2.gz	CRPAWKRDIOHIIL-HZPDHXFCSA-N	1	0	361.490	1.658	20	30		FDEDRO
C=CCSc1ccccc1NC(=O)Cn1cnc2c(c1=O)CC[NH2+]CC2	ZINC000575057062	550417498	/nfs/dbraw/zinc/41/74/98/550417498.db2.gz	ASDVBHXGEGGHLC-UHFFFAOYSA-N	1	0	370.478	1.848	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)Cn3cnc4c3CCCC4)CC2)c1C#N	ZINC000575227046	550446356	/nfs/dbraw/zinc/44/63/56/550446356.db2.gz	HYGBIDCMZIFSQY-UHFFFAOYSA-N	1	0	370.482	1.747	20	30		FDEDRO
COC(=O)c1ccc(N2CCN(c3cc[nH+]cc3OC)CC2)c(C#N)n1	ZINC000575430012	550462906	/nfs/dbraw/zinc/46/29/06/550462906.db2.gz	LFOFJDZXAPLYTI-UHFFFAOYSA-N	1	0	353.382	1.470	20	30		FDEDRO
C=CCn1c(-c2ncccc2C)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000575883998	550486889	/nfs/dbraw/zinc/48/68/89/550486889.db2.gz	AQRGMTXVAKHDSH-QGZVFWFLSA-N	1	0	368.485	1.993	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]CCNC(=O)c2cccs2)cc1	ZINC000576628254	550569642	/nfs/dbraw/zinc/56/96/42/550569642.db2.gz	SMHDCMWRBIYRMX-HNNXBMFYSA-N	1	0	359.451	1.573	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)c1	ZINC000577582524	550671463	/nfs/dbraw/zinc/67/14/63/550671463.db2.gz	FZYIELLKFZZUMQ-UHFFFAOYSA-N	1	0	357.458	1.980	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](CC)C(=O)N1CCOCC1	ZINC000577722092	550687354	/nfs/dbraw/zinc/68/73/54/550687354.db2.gz	GHFCYFURGOEJGI-QZTJIDSGSA-N	1	0	362.470	1.382	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)n1cnc(C#N)n1	ZINC000578060884	550724132	/nfs/dbraw/zinc/72/41/32/550724132.db2.gz	QOUIPIYMKADGPH-NXHRZFHOSA-N	1	0	364.453	1.691	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1	ZINC000578120597	550729788	/nfs/dbraw/zinc/72/97/88/550729788.db2.gz	MHLVXSVQRVDGAO-AEGPPILISA-N	1	0	362.455	1.731	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCC[C@@H]2CCCC[C@H]2O)nc1	ZINC000578192797	550737587	/nfs/dbraw/zinc/73/75/87/550737587.db2.gz	AJLKQSLZJSOAQH-JKSUJKDBSA-N	1	0	351.472	1.648	20	30		FDEDRO
COC(=O)c1ccc(OC[C@H](O)C[NH2+]Cc2ccc(C#N)c(OC)c2)cc1	ZINC000578500261	550770057	/nfs/dbraw/zinc/77/00/57/550770057.db2.gz	SDQLGJPBOIITPP-QGZVFWFLSA-N	1	0	370.405	1.883	20	30		FDEDRO
COc1ccc(Br)c(C[NH2+]C[C@H](O)CN(C)CCC#N)c1	ZINC000578725816	550794116	/nfs/dbraw/zinc/79/41/16/550794116.db2.gz	IJQCZRXFXUMVRE-ZDUSSCGKSA-N	1	0	356.264	1.754	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)cc1	ZINC000579223547	550849210	/nfs/dbraw/zinc/84/92/10/550849210.db2.gz	AJXFKGSDCQVULP-CVEARBPZSA-N	1	0	369.396	1.832	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)cc1	ZINC000579223550	550849245	/nfs/dbraw/zinc/84/92/45/550849245.db2.gz	AJXFKGSDCQVULP-JKSUJKDBSA-N	1	0	369.396	1.832	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H](N2CCC(CO)([NH2+]CC3CC3)CC2)C1=O	ZINC000579480476	550878331	/nfs/dbraw/zinc/87/83/31/550878331.db2.gz	FHCUUWYGZWGBIW-INIZCTEOSA-N	1	0	374.510	1.552	20	30		FDEDRO
CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000579584020	550888664	/nfs/dbraw/zinc/88/86/64/550888664.db2.gz	YCNQTDJESFXAEZ-CABCVRRESA-N	1	0	350.440	1.653	20	30		FDEDRO
N#Cc1cccnc1OC1CCC(NC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1	ZINC000580053017	550937520	/nfs/dbraw/zinc/93/75/20/550937520.db2.gz	PRYVQTYLFSVNSV-MRLCAUJQSA-N	1	0	369.469	1.894	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCc3nc(C)nn3C2)c(OC)c1	ZINC000580231002	550957529	/nfs/dbraw/zinc/95/75/29/550957529.db2.gz	YPMTXCHQYPSPOC-SJORKVTESA-N	1	0	372.469	1.668	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)NCC3([NH3+])CCCCCC3)CC2)c1	ZINC000580882324	551028451	/nfs/dbraw/zinc/02/84/51/551028451.db2.gz	SQFRZSZODDBDBB-UHFFFAOYSA-N	1	0	356.474	1.837	20	30		FDEDRO
N#Cc1c(F)cc(CNC(=O)CN2CCN(c3ccccn3)CC2)cc1F	ZINC000581144501	551056990	/nfs/dbraw/zinc/05/69/90/551056990.db2.gz	LAJPOFCYFMJARC-UHFFFAOYSA-N	1	0	371.391	1.670	20	30		FDEDRO
CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1	ZINC000581303759	551074038	/nfs/dbraw/zinc/07/40/38/551074038.db2.gz	BXBYFCYTFRSLHF-AWEZNQCLSA-N	1	0	356.405	2.441	20	30		FDEDRO
N#CCc1ccc(CS(=O)(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1	ZINC000581310192	551074861	/nfs/dbraw/zinc/07/48/61/551074861.db2.gz	ONHYSCJGKFJBSY-RBUKOAKNSA-N	1	0	355.463	1.928	20	30		FDEDRO
CC(C)=CCCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000581718446	551126626	/nfs/dbraw/zinc/12/66/26/551126626.db2.gz	MJPUFNUGTPLMKL-UHFFFAOYSA-N	1	0	356.470	1.921	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1	ZINC000582241394	551195610	/nfs/dbraw/zinc/19/56/10/551195610.db2.gz	PVGUTWMMGGQJKK-QWRGUYRKSA-N	1	0	370.272	1.551	20	30		FDEDRO
CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cccc(C#N)n1	ZINC000582300220	551204028	/nfs/dbraw/zinc/20/40/28/551204028.db2.gz	LXYQBFKQNPUKMJ-GOEBONIOSA-N	1	0	357.458	1.909	20	30		FDEDRO
N#CCCn1ccc(=NC(=O)NC[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)[nH]1	ZINC000582892894	551278017	/nfs/dbraw/zinc/27/80/17/551278017.db2.gz	FLACKGHDBSJYIN-WBVHZDCISA-N	1	0	370.432	2.451	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)NCC[N@@H+](C)C(C)C)CC2)c1C#N	ZINC000583116451	551305829	/nfs/dbraw/zinc/30/58/29/551305829.db2.gz	NAYQDWNOHVJSND-UHFFFAOYSA-N	1	0	350.492	1.495	20	30		FDEDRO
CC[NH+](CC)CC[C@H](CO)NC(=O)c1cnc(C(F)(F)F)c(C#N)c1	ZINC000583390377	551344464	/nfs/dbraw/zinc/34/44/64/551344464.db2.gz	PFAJGINGBSKRPB-CYBMUJFWSA-N	1	0	358.364	1.795	20	30		FDEDRO
COc1cc(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)ccc1C#N	ZINC000583899497	551418168	/nfs/dbraw/zinc/41/81/68/551418168.db2.gz	SNYCZNYNDQQXFQ-HNNXBMFYSA-N	1	0	363.483	1.861	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	ZINC000584192525	551461562	/nfs/dbraw/zinc/46/15/62/551461562.db2.gz	FNDUKWKYLQMTJB-UHFFFAOYSA-N	1	0	365.518	1.810	20	30		FDEDRO
N#Cc1cccnc1OC1CCC(NC(=O)N2CCO[C@H](C[NH3+])C2)CC1	ZINC000584710370	551534175	/nfs/dbraw/zinc/53/41/75/551534175.db2.gz	YNWCLAUTOSFOJN-UYSNPLJNSA-N	1	0	359.430	1.012	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)c1cccc(C#N)c1	ZINC000585723124	551587687	/nfs/dbraw/zinc/58/76/87/551587687.db2.gz	XYXLABXCPCIWIS-UGSOOPFHSA-N	1	0	360.483	1.289	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCc1ccc(C#N)cc1F	ZINC000585777655	551598352	/nfs/dbraw/zinc/59/83/52/551598352.db2.gz	TXZURFAVDYONCL-ZIAGYGMSSA-N	1	0	360.433	1.550	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)[C@H](C)C1	ZINC000587720014	551635226	/nfs/dbraw/zinc/63/52/26/551635226.db2.gz	UIMBHFIVMUVEIN-VKJFTORMSA-N	1	0	356.470	1.924	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2cc(O)cc(C#N)c2)cc1	ZINC000589180355	551715804	/nfs/dbraw/zinc/71/58/04/551715804.db2.gz	ZJSXGAVQXZOHIZ-UHFFFAOYSA-N	1	0	366.421	1.485	20	30		FDEDRO
C[NH+]1CCN(CCOc2ccc(NC(=O)c3cccc(C#N)n3)cc2)CC1	ZINC000589436965	551730180	/nfs/dbraw/zinc/73/01/80/551730180.db2.gz	FLFHXWVBSCEZMU-UHFFFAOYSA-N	1	0	365.437	1.832	20	30		FDEDRO
CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(C#N)n1	ZINC000589491389	551733529	/nfs/dbraw/zinc/73/35/29/551733529.db2.gz	FHEGBHRTWWDLGG-HXUWFJFHSA-N	1	0	350.422	1.662	20	30		FDEDRO
COc1cc(CNC(=O)NCC(C)(C)N2CC[NH+](C)CC2)ccc1C#N	ZINC000589632366	551739475	/nfs/dbraw/zinc/73/94/75/551739475.db2.gz	GAACJAMXLZOTIX-UHFFFAOYSA-N	1	0	359.474	1.392	20	30		FDEDRO
C[C@H](c1ccccc1)[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)C(N)=O	ZINC000590000497	551755850	/nfs/dbraw/zinc/75/58/50/551755850.db2.gz	KQSUKUDRMMGAFI-ZTNFWEORSA-N	1	0	367.449	1.740	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CC[C@@H]2C[N@H+](C)C[C@@H]21	ZINC000590010717	551756753	/nfs/dbraw/zinc/75/67/53/551756753.db2.gz	UBMUTXOHCIVERD-AEFFLSMTSA-N	1	0	373.501	1.588	20	30		FDEDRO
CN(CC(C)(C)C#N)C(=O)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1	ZINC000590303535	551771601	/nfs/dbraw/zinc/77/16/01/551771601.db2.gz	ZFEDVKBNSLFPQU-UHFFFAOYSA-N	1	0	360.458	1.964	20	30		FDEDRO
COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](CO)C[NH+]1CCCC1	ZINC000590371894	551776511	/nfs/dbraw/zinc/77/65/11/551776511.db2.gz	QHTXSRFEDUBXNZ-MRXNPFEDSA-N	1	0	361.442	1.299	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]2C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cc1	ZINC000590767958	551814872	/nfs/dbraw/zinc/81/48/72/551814872.db2.gz	UAINJHGCBLLLLG-MJGOQNOKSA-N	1	0	356.470	1.490	20	30		FDEDRO
CCOC(=O)c1ncn(C2CC[NH+](Cc3ccnc(C#N)c3)CC2)c1N	ZINC000590957541	551830041	/nfs/dbraw/zinc/83/00/41/551830041.db2.gz	XHHBTNMMCITQQY-UHFFFAOYSA-N	1	0	354.414	1.746	20	30		FDEDRO
N#CC1CCN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1	ZINC000590981139	551832051	/nfs/dbraw/zinc/83/20/51/551832051.db2.gz	DZRBXJLNASSPPD-GOSISDBHSA-N	1	0	360.502	1.863	20	30		FDEDRO
COC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC[N@H+](C)C1	ZINC000591225135	551851944	/nfs/dbraw/zinc/85/19/44/551851944.db2.gz	JOEKSIILELZWRA-AEFFLSMTSA-N	1	0	370.453	1.090	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)c1	ZINC000591292501	551857115	/nfs/dbraw/zinc/85/71/15/551857115.db2.gz	WVZLPTPRLKJMKP-NSHDSACASA-N	1	0	352.341	1.356	20	30		FDEDRO
CC[C@@H]1CN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC[C@H]1[NH3+]	ZINC000591297480	551857891	/nfs/dbraw/zinc/85/78/91/551857891.db2.gz	KQHFACMHWMDUSR-IUODEOHRSA-N	1	0	356.405	2.474	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N(C3CC3)[C@H]3CC[NH2+]C3)n2)c(F)c1	ZINC000591297624	551857942	/nfs/dbraw/zinc/85/79/42/551857942.db2.gz	LHROYEIOPPKGKR-AWEZNQCLSA-N	1	0	354.389	2.241	20	30		FDEDRO
CCCN(C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[C@H]1CC[NH2+]C1	ZINC000591350528	551864986	/nfs/dbraw/zinc/86/49/86/551864986.db2.gz	IMDYTPNVQYIARK-KRWDZBQOSA-N	1	0	356.474	1.706	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@@H]4CC[NH2+][C@@H]4C3)C2=O)cc1	ZINC000591356528	551865643	/nfs/dbraw/zinc/86/56/43/551865643.db2.gz	JLHUMKJSYQYGJA-RYQLBKOJSA-N	1	0	367.453	1.447	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H]3CCCC[NH2+]3)C2=O)cc1	ZINC000591357120	551865652	/nfs/dbraw/zinc/86/56/52/551865652.db2.gz	MBVUHVXGFFHDMN-IRXDYDNUSA-N	1	0	355.442	1.100	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)C2=O)cc1	ZINC000591357109	551865694	/nfs/dbraw/zinc/86/56/94/551865694.db2.gz	KLXVKKVHCINDIB-KSZLIROESA-N	1	0	367.453	1.195	20	30		FDEDRO
C=C[C@H](NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1)C(=O)OC	ZINC000591375107	551866946	/nfs/dbraw/zinc/86/69/46/551866946.db2.gz	TUPSWIAQNPMASH-IBGZPJMESA-N	1	0	373.497	1.675	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)c(F)c1	ZINC000591388857	551867402	/nfs/dbraw/zinc/86/74/02/551867402.db2.gz	OCPRTJGLFRBART-AEFFLSMTSA-N	1	0	372.444	1.694	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O	ZINC000591610439	551884200	/nfs/dbraw/zinc/88/42/00/551884200.db2.gz	KVTCZJFQYNBPDX-KGLIPLIRSA-N	1	0	368.359	1.948	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)cc1	ZINC000591736732	551904856	/nfs/dbraw/zinc/90/48/56/551904856.db2.gz	KZYKPMLLWUYIQU-OCCSQVGLSA-N	1	0	357.332	1.051	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1	ZINC000591766680	551907156	/nfs/dbraw/zinc/90/71/56/551907156.db2.gz	YXQZJAMEQJYJQM-OAHLLOKOSA-N	1	0	367.881	1.069	20	30		FDEDRO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1	ZINC000591876242	551912770	/nfs/dbraw/zinc/91/27/70/551912770.db2.gz	AXPVSKIFZYYDSR-AWEZNQCLSA-N	1	0	368.441	1.474	20	30		FDEDRO
N#CC[C@]1(O)CCN(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1	ZINC000591957789	551920487	/nfs/dbraw/zinc/92/04/87/551920487.db2.gz	HHYGZYOVGFUNSS-FQEVSTJZSA-N	1	0	372.469	1.721	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN(S(=O)(=O)CC1(C#N)CCCCC1)CCO2	ZINC000592103526	551942237	/nfs/dbraw/zinc/94/22/37/551942237.db2.gz	JUEJAXYPHBOBPN-UHFFFAOYSA-N	1	0	355.504	1.587	20	30		FDEDRO
N#CC[C@]1(O)CC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C1	ZINC000592144662	551949141	/nfs/dbraw/zinc/94/91/41/551949141.db2.gz	HHGAXNRRZXXGHY-ZFWWWQNUSA-N	1	0	355.232	1.539	20	30		FDEDRO
N#CC[C@@]1(O)CC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C1	ZINC000592144661	551949169	/nfs/dbraw/zinc/94/91/69/551949169.db2.gz	HHGAXNRRZXXGHY-UKRRQHHQSA-N	1	0	355.232	1.539	20	30		FDEDRO
C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@](O)(CC#N)C1	ZINC000592148921	551949524	/nfs/dbraw/zinc/94/95/24/551949524.db2.gz	FFGQCGJWVDDDEL-UWJYYQICSA-N	1	0	370.497	1.506	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2)C1	ZINC000592156246	551951446	/nfs/dbraw/zinc/95/14/46/551951446.db2.gz	VNXXLSHXSHQLJY-YLJYHZDGSA-N	1	0	356.470	1.679	20	30		FDEDRO
Cc1nn(-c2ccccc2)c(CN2C(=O)NC3(CC[NH2+]CC3)C2=O)c1C#N	ZINC000592167042	551952409	/nfs/dbraw/zinc/95/24/09/551952409.db2.gz	BUXKNIPIFUULSJ-UHFFFAOYSA-N	1	0	364.409	1.226	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)cc1C#N	ZINC000592239876	551965788	/nfs/dbraw/zinc/96/57/88/551965788.db2.gz	SKIYNUIPTBXWJQ-AWEZNQCLSA-N	1	0	373.457	1.929	20	30		FDEDRO
CC1(C)C[NH2+]CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000592372356	551985619	/nfs/dbraw/zinc/98/56/19/551985619.db2.gz	RIWUMUVOQCKGJL-UHFFFAOYSA-N	1	0	358.261	1.693	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC2CCN(C(=O)C(C)(C)C)CC2)CC1	ZINC000592483673	552000390	/nfs/dbraw/zinc/00/03/90/552000390.db2.gz	KGAKTKOYNPNQMW-UHFFFAOYSA-N	1	0	350.507	1.973	20	30		FDEDRO
CC(C)N1CC[NH+](C2CCN(Cc3cnc4c(C#N)cnn4c3)CC2)CC1	ZINC000592504610	552002907	/nfs/dbraw/zinc/00/29/07/552002907.db2.gz	KWZMYJRNNBLUBF-UHFFFAOYSA-N	1	0	367.501	1.591	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+][C@H]3CCN(c4ccccc4C(N)=O)C3)cnc12	ZINC000592505374	552003409	/nfs/dbraw/zinc/00/34/09/552003409.db2.gz	KTAZZYPNSUJHKV-HNNXBMFYSA-N	1	0	361.409	1.068	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+][C@@H]3CCN(c4ccccc4C(N)=O)C3)cnc12	ZINC000592505376	552003411	/nfs/dbraw/zinc/00/34/11/552003411.db2.gz	KTAZZYPNSUJHKV-OAHLLOKOSA-N	1	0	361.409	1.068	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCC([C@H](C)CO)CC2)CC1	ZINC000593083419	552059322	/nfs/dbraw/zinc/05/93/22/552059322.db2.gz	NDFZSCLHENNIGZ-AEFFLSMTSA-N	1	0	350.507	1.019	20	30		FDEDRO
C[C@H](CCO)[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000593108063	552063084	/nfs/dbraw/zinc/06/30/84/552063084.db2.gz	LPLQHPREWUCTJH-CRAIPNDOSA-N	1	0	362.449	1.237	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)CN3CCCCC3=O)CC2)c1	ZINC000593355866	552095261	/nfs/dbraw/zinc/09/52/61/552095261.db2.gz	QTTNDQUOHUBDHM-UHFFFAOYSA-N	1	0	354.454	1.651	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)Cc1ccc(Br)cc1C#N	ZINC000593410757	552104609	/nfs/dbraw/zinc/10/46/09/552104609.db2.gz	XNBADZDGSTVTCM-UHFFFAOYSA-N	1	0	368.275	1.948	20	30		FDEDRO
COC[C@H](O)CCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593513564	552120199	/nfs/dbraw/zinc/12/01/99/552120199.db2.gz	KQGRGUJLKLSWDG-GOSISDBHSA-N	1	0	360.458	1.219	20	30		FDEDRO
CCN1CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1=O	ZINC000593514367	552120541	/nfs/dbraw/zinc/12/05/41/552120541.db2.gz	VSXZFNVDCVQQFS-UHFFFAOYSA-N	1	0	369.469	1.396	20	30		FDEDRO
CC(=O)N[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000593515484	552120651	/nfs/dbraw/zinc/12/06/51/552120651.db2.gz	JVTHGSIXHVJPJQ-LJQANCHMSA-N	1	0	369.469	1.443	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)NC[C@H](C)[N@H+](C)C1CC1	ZINC000593541437	552127881	/nfs/dbraw/zinc/12/78/81/552127881.db2.gz	ASERSOJVSADVKJ-NSHDSACASA-N	1	0	351.428	1.106	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1	ZINC000593543864	552128606	/nfs/dbraw/zinc/12/86/06/552128606.db2.gz	QZVFYACZFORDRO-INIZCTEOSA-N	1	0	365.499	1.877	20	30		FDEDRO
CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)OC)C1	ZINC000593552607	552131380	/nfs/dbraw/zinc/13/13/80/552131380.db2.gz	SVBKWALSUGECBM-AWEZNQCLSA-N	1	0	365.455	1.450	20	30		FDEDRO
CCC[N@H+](CC)CCNS(=O)(=O)c1ccc(C#N)cc1C(=O)OC	ZINC000593556638	552132823	/nfs/dbraw/zinc/13/28/23/552132823.db2.gz	LAMDVJVWYYNUJM-UHFFFAOYSA-N	1	0	353.444	1.355	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1	ZINC000593606323	552150322	/nfs/dbraw/zinc/15/03/22/552150322.db2.gz	QPXMNUTUFWFQCQ-AWEZNQCLSA-N	1	0	365.455	1.448	20	30		FDEDRO
CC[C@H](C#N)C(=O)NCCN(CC[NH+]1CCCCC1)C(=O)[C@@H](C#N)CC	ZINC000593702448	552177820	/nfs/dbraw/zinc/17/78/20/552177820.db2.gz	YCSQOYVQVLXIDD-IAGOWNOFSA-N	1	0	361.490	1.517	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)Nc2cc(C#N)ccc2OCCOC)C[C@H]1C[NH3+]	ZINC000593764403	552193804	/nfs/dbraw/zinc/19/38/04/552193804.db2.gz	UMNRWTQGBOZJIS-RHSMWYFYSA-N	1	0	362.430	1.411	20	30		FDEDRO
C[NH2+]Cc1ccccc1CNC(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1	ZINC000593766294	552194209	/nfs/dbraw/zinc/19/42/09/552194209.db2.gz	CSXOUXMMFALBBB-AWEZNQCLSA-N	1	0	350.422	1.771	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)C[C@H]1C[NH3+]	ZINC000593770549	552195171	/nfs/dbraw/zinc/19/51/71/552195171.db2.gz	KJDVSVVURSLNGY-RHSMWYFYSA-N	1	0	374.441	1.106	20	30		FDEDRO
C[C@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)N1CCN(C)CC1	ZINC000593882913	552216485	/nfs/dbraw/zinc/21/64/85/552216485.db2.gz	NKHLRTSCEOZNFF-QGZVFWFLSA-N	1	0	369.513	1.275	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)C[C@H]3CCC(=O)NC3)CC2)c1	ZINC000593885682	552217074	/nfs/dbraw/zinc/21/70/74/552217074.db2.gz	KSKYTXXJLXHIRP-MRXNPFEDSA-N	1	0	354.454	1.555	20	30		FDEDRO
C[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000593885644	552217154	/nfs/dbraw/zinc/21/71/54/552217154.db2.gz	IZFVUQIKGKWHJJ-MRXNPFEDSA-N	1	0	368.481	1.897	20	30		FDEDRO
CCN1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1=O	ZINC000593929470	552228139	/nfs/dbraw/zinc/22/81/39/552228139.db2.gz	WNNLHIBKTCXSPH-UHFFFAOYSA-N	1	0	355.442	1.354	20	30		FDEDRO
CCCCCNC(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593934750	552229488	/nfs/dbraw/zinc/22/94/88/552229488.db2.gz	YIEVHXOTYWQZSU-UHFFFAOYSA-N	1	0	356.470	1.945	20	30		FDEDRO
COCCCS(=O)(=O)NCC[NH2+]C1(c2ccc(C#N)cc2)CCC1	ZINC000594032590	552242052	/nfs/dbraw/zinc/24/20/52/552242052.db2.gz	XVHGXTKFGNBHJK-UHFFFAOYSA-N	1	0	351.472	1.483	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)Cc3ccc(C#N)cc3)C2)CC1	ZINC000594281164	552276809	/nfs/dbraw/zinc/27/68/09/552276809.db2.gz	CBAGKXMZJSFRGB-PXNSSMCTSA-N	1	0	354.498	1.975	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1	ZINC000594335784	552290997	/nfs/dbraw/zinc/29/09/97/552290997.db2.gz	LQUGAEXPOHNGOY-QGZVFWFLSA-N	1	0	371.481	1.423	20	30		FDEDRO
N#Cc1ccc(Oc2ccc(C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)cc2)nc1	ZINC000594393451	552302333	/nfs/dbraw/zinc/30/23/33/552302333.db2.gz	NEYFSTRZZCZKRW-DLBZAZTESA-N	1	0	364.405	1.637	20	30		FDEDRO
Cc1c(NC(=O)[C@H]([NH3+])CCCCC#N)cccc1C(=O)N1CCOCC1	ZINC000594431671	552308879	/nfs/dbraw/zinc/30/88/79/552308879.db2.gz	PNFVIKYWLJUSKO-MRXNPFEDSA-N	1	0	358.442	1.817	20	30		FDEDRO
Cc1ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc1N1CCCS1(=O)=O	ZINC000594434368	552309362	/nfs/dbraw/zinc/30/93/62/552309362.db2.gz	YDJNXIZPTWYHDN-HNNXBMFYSA-N	1	0	364.471	1.885	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1	ZINC000594438353	552309622	/nfs/dbraw/zinc/30/96/22/552309622.db2.gz	OIKDIJGTCOUGJK-MRXNPFEDSA-N	1	0	364.471	1.271	20	30		FDEDRO
CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)[C@@H]([NH3+])CCCCC#N)c1	ZINC000594440751	552310923	/nfs/dbraw/zinc/31/09/23/552310923.db2.gz	ZFHPVQQPPODNBW-DOMZBBRYSA-N	1	0	352.460	1.183	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1	ZINC000594441024	552311175	/nfs/dbraw/zinc/31/11/75/552311175.db2.gz	LEJNGURGNRLVMV-DLBZAZTESA-N	1	0	357.458	1.486	20	30		FDEDRO
COc1cc(OC)cc(N2CC[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C2=O)c1	ZINC000594445426	552311985	/nfs/dbraw/zinc/31/19/85/552311985.db2.gz	FHSXZUDCXHCYKM-DLBZAZTESA-N	1	0	374.441	1.337	20	30		FDEDRO
COC(=O)c1cc(NC(=O)[C@H]([NH3+])CCCCC#N)cc(S(C)(=O)=O)c1	ZINC000594445435	552312122	/nfs/dbraw/zinc/31/21/22/552312122.db2.gz	FMTGFRAMSIYSMC-CQSZACIVSA-N	1	0	367.427	1.226	20	30		FDEDRO
COc1ccc(OC)c(CN2CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC2)c1	ZINC000594445568	552312317	/nfs/dbraw/zinc/31/23/17/552312317.db2.gz	HXSAGCHVXJMZSW-GOSISDBHSA-N	1	0	374.485	1.759	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O	ZINC000594445616	552312333	/nfs/dbraw/zinc/31/23/33/552312333.db2.gz	JCNRHFPAVUXQAD-UONOGXRCSA-N	1	0	350.369	1.598	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+]C3CCN([C@H]4CCOC4)CC3)CC2)nc1	ZINC000594493967	552326044	/nfs/dbraw/zinc/32/60/44/552326044.db2.gz	CNSNZMIZFZWOJT-IBGZPJMESA-N	1	0	355.486	1.765	20	30		FDEDRO
C=CCCOCC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000594498145	552326106	/nfs/dbraw/zinc/32/61/06/552326106.db2.gz	OEYAJOFIOKDJBY-SFHVURJKSA-N	1	0	359.470	1.593	20	30		FDEDRO
N#Cc1cncc(S(=O)(=O)NCC2CC[NH+](Cc3ccncc3)CC2)c1	ZINC000594831839	552401868	/nfs/dbraw/zinc/40/18/68/552401868.db2.gz	WVGPGKUOLDYACT-UHFFFAOYSA-N	1	0	371.466	1.539	20	30		FDEDRO
COCC[NH2+]CCNS(=O)(=O)c1sc2ccc(C#N)cc2c1C	ZINC000595108675	552453526	/nfs/dbraw/zinc/45/35/26/552453526.db2.gz	SJHDNKXIWFTXJM-UHFFFAOYSA-N	1	0	353.469	1.596	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCN1C[C@@H](C)OC[C@@H]1C	ZINC000595125708	552459167	/nfs/dbraw/zinc/45/91/67/552459167.db2.gz	KPUXHUYBAZEXEK-UONOGXRCSA-N	1	0	374.441	1.121	20	30		FDEDRO
C[C@]1(C#N)CCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1	ZINC000595127292	552460014	/nfs/dbraw/zinc/46/00/14/552460014.db2.gz	JJYUSPHRXDTMRU-HXUWFJFHSA-N	1	0	354.454	1.483	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@](C)(C#N)C1	ZINC000595130538	552461120	/nfs/dbraw/zinc/46/11/20/552461120.db2.gz	LQYUKXUAESRGHU-FQEVSTJZSA-N	1	0	367.453	1.211	20	30		FDEDRO
CN(C(=O)C(=O)N1CC[C@@](C)(C#N)C1)C1CC[NH+](Cc2ccccc2)CC1	ZINC000595151008	552468552	/nfs/dbraw/zinc/46/85/52/552468552.db2.gz	GDPKIPMGTLUOHH-NRFANRHFSA-N	1	0	368.481	1.872	20	30		FDEDRO
CN(C(=O)C(=O)N1CC[C@](C)(C#N)C1)C1CC[NH+](Cc2ccccc2)CC1	ZINC000595151009	552468566	/nfs/dbraw/zinc/46/85/66/552468566.db2.gz	GDPKIPMGTLUOHH-OAQYLSRUSA-N	1	0	368.481	1.872	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1F	ZINC000595196611	552486523	/nfs/dbraw/zinc/48/65/23/552486523.db2.gz	MHDDZUYKXISFOP-OAHLLOKOSA-N	1	0	360.389	1.005	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[C@@](C)(C#N)C2)ccc1OCC[NH+](C)C	ZINC000595213048	552492947	/nfs/dbraw/zinc/49/29/47/552492947.db2.gz	QHXQCHSTQMBMAK-IBGZPJMESA-N	1	0	358.442	1.636	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1	ZINC000595230372	552498964	/nfs/dbraw/zinc/49/89/64/552498964.db2.gz	YMDHJZQPYRXROT-HZSPNIEDSA-N	1	0	373.482	1.714	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1F	ZINC000595239916	552502526	/nfs/dbraw/zinc/50/25/26/552502526.db2.gz	GMYKRUGMNYWEBH-HNNXBMFYSA-N	1	0	358.417	1.874	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c(F)c1	ZINC000595240871	552502826	/nfs/dbraw/zinc/50/28/26/552502826.db2.gz	WLBPPDYGTGBXET-OAHLLOKOSA-N	1	0	358.417	1.874	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1	ZINC000595240098	552502880	/nfs/dbraw/zinc/50/28/80/552502880.db2.gz	OEVJNQMDKFVVTN-INIZCTEOSA-N	1	0	370.453	1.744	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1C#N	ZINC000595242191	552503434	/nfs/dbraw/zinc/50/34/34/552503434.db2.gz	JCBKRRQYSUPVDV-HUUCEWRRSA-N	1	0	357.414	1.121	20	30		FDEDRO
N#CC1(CC(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)CCOCC1	ZINC000595250113	552505142	/nfs/dbraw/zinc/50/51/42/552505142.db2.gz	KXMLYNUUDYHSDW-UHFFFAOYSA-N	1	0	372.469	1.620	20	30		FDEDRO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC12CC(C1)C[NH2+]2	ZINC000595249308	552505310	/nfs/dbraw/zinc/50/53/10/552505310.db2.gz	MOQZBRQZNUYCQG-ZVLZOBCMSA-N	1	0	358.467	1.888	20	30		FDEDRO
COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CC2(C#N)CCOCC2)cc1	ZINC000595256735	552506510	/nfs/dbraw/zinc/50/65/10/552506510.db2.gz	RLSVRKKGCCMMRR-ROUUACIJSA-N	1	0	357.454	1.967	20	30		FDEDRO
C[C@H](C[NH3+])CNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595265110	552507749	/nfs/dbraw/zinc/50/77/49/552507749.db2.gz	JXTMGYRZDTYSPA-CQSZACIVSA-N	1	0	367.457	1.375	20	30		FDEDRO
C[C@@H]1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)[C@H](C[NH3+])C1	ZINC000595265342	552507762	/nfs/dbraw/zinc/50/77/62/552507762.db2.gz	HIOMAZQEFRQPPN-PBHICJAKSA-N	1	0	356.474	1.691	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1	ZINC000595275373	552509947	/nfs/dbraw/zinc/50/99/47/552509947.db2.gz	LPKNPNGTLSGJKA-HZPDHXFCSA-N	1	0	366.425	1.622	20	30		FDEDRO
CC[C@H]([NH3+])CNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595274024	552510066	/nfs/dbraw/zinc/51/00/66/552510066.db2.gz	ONZNAQQTHHWNOW-INIZCTEOSA-N	1	0	367.457	1.517	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)c1cccc(C#N)c1	ZINC000595279396	552511288	/nfs/dbraw/zinc/51/12/88/552511288.db2.gz	KWHGOHKOVOWXMP-KXBFYZLASA-N	1	0	368.481	1.974	20	30		FDEDRO
N#Cc1ccccc1-c1ccc(CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)cc1	ZINC000595282539	552511484	/nfs/dbraw/zinc/51/14/84/552511484.db2.gz	RNUQXJCCLIBDEM-UHFFFAOYSA-N	1	0	374.444	1.710	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(F)c2)CCO1	ZINC000595405571	552551952	/nfs/dbraw/zinc/55/19/52/552551952.db2.gz	YEKOEFMKCONQCL-AWEZNQCLSA-N	1	0	355.435	1.429	20	30		FDEDRO
CC(C)(CO)[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1cccnc1	ZINC000595500979	552573340	/nfs/dbraw/zinc/57/33/40/552573340.db2.gz	QFMSZXQCRGRQNJ-LJQANCHMSA-N	1	0	352.438	1.919	20	30		FDEDRO
N#Cc1cccc(OCC[NH+]2CCC(NC(=O)N3CCOCC3)CC2)c1	ZINC000595549712	552582482	/nfs/dbraw/zinc/58/24/82/552582482.db2.gz	LGGZIOFBLNNMAD-UHFFFAOYSA-N	1	0	358.442	1.443	20	30		FDEDRO
N#CC[C@@H]1CCCN(CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)C1	ZINC000595621057	552593738	/nfs/dbraw/zinc/59/37/38/552593738.db2.gz	RVPJTEGBXKZYME-LBPRGKRZSA-N	1	0	359.821	1.880	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C	ZINC000595663897	552599579	/nfs/dbraw/zinc/59/95/79/552599579.db2.gz	NGIPNDZITQMUEX-CABCVRRESA-N	1	0	371.489	1.441	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2CCO)CC1	ZINC000595698501	552603888	/nfs/dbraw/zinc/60/38/88/552603888.db2.gz	MPOHDZPTWMAGPV-BZSNNMDCSA-N	1	0	350.507	1.162	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000595706297	552604909	/nfs/dbraw/zinc/60/49/09/552604909.db2.gz	YKNHHEZZOVVQIY-HOTGVXAUSA-N	1	0	357.458	1.989	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1	ZINC000595717511	552606303	/nfs/dbraw/zinc/60/63/03/552606303.db2.gz	HZSQCRWUTSBBRB-QMTMVMCOSA-N	1	0	365.474	1.285	20	30		FDEDRO
COC(=O)[C@@H]1CC[N@H+](CC(=O)N(CCC#N)CCC#N)[C@@H]2CCCC[C@H]12	ZINC000595741870	552609600	/nfs/dbraw/zinc/60/96/00/552609600.db2.gz	ZZERAABDYOUUJH-BRWVUGGUSA-N	1	0	360.458	1.696	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1	ZINC000595745698	552610143	/nfs/dbraw/zinc/61/01/43/552610143.db2.gz	ZJIFRMYVGZATQA-NUJGCVRESA-N	1	0	354.454	1.922	20	30		FDEDRO
COC(=O)Cn1cc(CC[NH2+]C2(c3cccc(C#N)c3)CCOCC2)nn1	ZINC000595765724	552612992	/nfs/dbraw/zinc/61/29/92/552612992.db2.gz	WIJNZRBKWDQHLU-UHFFFAOYSA-N	1	0	369.425	1.161	20	30		FDEDRO
COC[C@@H](C)NC(=O)NC(=O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1	ZINC000595775356	552613745	/nfs/dbraw/zinc/61/37/45/552613745.db2.gz	VCQAKBNBKUATGW-CQSZACIVSA-N	1	0	374.441	1.014	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@H]2C[C@H](O)C23CCC3)CC1	ZINC000595780856	552614294	/nfs/dbraw/zinc/61/42/94/552614294.db2.gz	JAAIDBXFXCPGCN-PVAVHDDUSA-N	1	0	374.510	1.350	20	30		FDEDRO
N#Cc1sccc1N1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1	ZINC000595960646	552638925	/nfs/dbraw/zinc/63/89/25/552638925.db2.gz	MREUIGRQZIMKET-INIZCTEOSA-N	1	0	352.463	1.983	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1	ZINC000595988675	552641423	/nfs/dbraw/zinc/64/14/23/552641423.db2.gz	QEIBYDYHDRDCHW-IBGZPJMESA-N	1	0	368.481	1.755	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)cc1	ZINC000596066953	552651827	/nfs/dbraw/zinc/65/18/27/552651827.db2.gz	WVIOVEVFDAJOGX-DFQSSKMNSA-N	1	0	371.481	1.531	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(c2nc3ncccc3cc2C#N)CC1	ZINC000596108302	552655742	/nfs/dbraw/zinc/65/57/42/552655742.db2.gz	TYWKZRQGVLOSKV-UHFFFAOYSA-N	1	0	352.442	1.492	20	30		FDEDRO
N#Cc1cc(Br)cnc1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC000596539265	552687175	/nfs/dbraw/zinc/68/71/75/552687175.db2.gz	NRQYVAYCJLLBPR-CQSZACIVSA-N	1	0	351.248	1.751	20	30		FDEDRO
C[C@H](CCNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[NH+](C)C	ZINC000596584141	552691763	/nfs/dbraw/zinc/69/17/63/552691763.db2.gz	SYDBLXKPTOPHJT-PBHICJAKSA-N	1	0	357.458	1.299	20	30		FDEDRO
N#CCC1(CNC(=O)NC[C@]2(CO)COCCN2Cc2ccccc2)CC1	ZINC000596587812	552691873	/nfs/dbraw/zinc/69/18/73/552691873.db2.gz	QFXCFQNZINVXMC-FQEVSTJZSA-N	1	0	372.469	1.243	20	30		FDEDRO
C[NH+](C)CCOc1cc(-c2noc(CC3(C#N)CCOCC3)n2)ccn1	ZINC000596590958	552692272	/nfs/dbraw/zinc/69/22/72/552692272.db2.gz	LVSYALMECOXAAZ-UHFFFAOYSA-N	1	0	357.414	1.935	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2Cc3c[nH]nc3CC(C)(C)C2)CC1	ZINC000596597385	552692852	/nfs/dbraw/zinc/69/28/52/552692852.db2.gz	QKUGZQVEPYCJRF-SFHVURJKSA-N	1	0	372.517	1.486	20	30		FDEDRO
CO[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@H]1CCOC1	ZINC000596668630	552699187	/nfs/dbraw/zinc/69/91/87/552699187.db2.gz	SNRRLBONKGHNFH-OALUTQOASA-N	1	0	374.485	1.683	20	30		FDEDRO
C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)N=c2ccn(CCC#N)[nH]2)C1	ZINC000596753085	552707302	/nfs/dbraw/zinc/70/73/02/552707302.db2.gz	MMICIJRHQMBOQH-SFHVURJKSA-N	1	0	366.469	2.577	20	30		FDEDRO
N#CCCn1cc(CN2CC[NH+]([C@@H]3CCOC3)CC2)c(-c2ccncc2)n1	ZINC000597202489	552759781	/nfs/dbraw/zinc/75/97/81/552759781.db2.gz	CRKVNWDOTVEVCQ-LJQANCHMSA-N	1	0	366.469	1.765	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(C#N)c1	ZINC000597253675	552765888	/nfs/dbraw/zinc/76/58/88/552765888.db2.gz	HNGXKQRXTKHTME-KDOFPFPSSA-N	1	0	370.453	1.105	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(CCC#N)CCOC	ZINC000597309873	552773197	/nfs/dbraw/zinc/77/31/97/552773197.db2.gz	KOBMKWWCADZGGJ-SJORKVTESA-N	1	0	374.489	1.756	20	30		FDEDRO
C[NH+](C)CCc1ccc(CNC(=O)C(=O)NCC2(C#N)CCCCC2)cc1	ZINC000597332313	552776303	/nfs/dbraw/zinc/77/63/03/552776303.db2.gz	DDOBFLVWRQNLMU-UHFFFAOYSA-N	1	0	370.497	1.997	20	30		FDEDRO
CC(C)(C#N)CNC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1	ZINC000597433222	552788568	/nfs/dbraw/zinc/78/85/68/552788568.db2.gz	PLWBVXAJTCXKMX-AWEZNQCLSA-N	1	0	359.478	1.258	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)N[C@@H]3CC34CC[NH2+]CC4)CC2)cc1	ZINC000597437941	552789226	/nfs/dbraw/zinc/78/92/26/552789226.db2.gz	AXCOUXPWMHWQBY-GOSISDBHSA-N	1	0	353.470	1.528	20	30		FDEDRO
CO[C@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCOC1	ZINC000597474293	552793356	/nfs/dbraw/zinc/79/33/56/552793356.db2.gz	GCLUEAICDJOLRI-MSOLQXFVSA-N	1	0	357.454	1.712	20	30		FDEDRO
N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)cc1	ZINC000597618070	552812497	/nfs/dbraw/zinc/81/24/97/552812497.db2.gz	BXMFGSMYBTVDSY-PMACEKPBSA-N	1	0	366.465	1.954	20	30		FDEDRO
Cc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)nn1-c1cccc(C#N)c1	ZINC000597626373	552814189	/nfs/dbraw/zinc/81/41/89/552814189.db2.gz	SPKSSFAELWUYIY-GOSISDBHSA-N	1	0	364.453	1.172	20	30		FDEDRO
CSc1nc(C2CC2)cc(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c1C#N	ZINC000597627043	552814340	/nfs/dbraw/zinc/81/43/40/552814340.db2.gz	XDIRWJGTCNVHAM-AWEZNQCLSA-N	1	0	371.510	1.672	20	30		FDEDRO
CC(C)C[C@H](NC(=O)c1cc(O)cc(C#N)c1)C(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000597692940	552822891	/nfs/dbraw/zinc/82/28/91/552822891.db2.gz	RFBACPYUMCJOON-WMZOPIPTSA-N	1	0	372.469	1.571	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[NH2+][C@@H](C(C)C)C1	ZINC000598572809	552910469	/nfs/dbraw/zinc/91/04/69/552910469.db2.gz	LRPAIDJMMDAUNH-QGZVFWFLSA-N	1	0	354.458	1.607	20	30		FDEDRO
COc1cccc(OCCN2CC[NH+](C[C@H](O)CC(C)(C)C#N)CC2)c1	ZINC000598593071	552912556	/nfs/dbraw/zinc/91/25/56/552912556.db2.gz	OYLVBKYRIXZRLN-QGZVFWFLSA-N	1	0	361.486	1.992	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H](n2cccn2)C(F)(F)F)c1C#N	ZINC000598652563	552920489	/nfs/dbraw/zinc/92/04/89/552920489.db2.gz	MFWLOXBFLPAAQF-GFCCVEGCSA-N	1	0	369.351	1.762	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1	ZINC000598727398	552928471	/nfs/dbraw/zinc/92/84/71/552928471.db2.gz	WVNIXEFRRKPLGA-JTQLQIEISA-N	1	0	365.908	1.570	20	30		FDEDRO
N#Cc1ccc(NC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1	ZINC000598913963	552944004	/nfs/dbraw/zinc/94/40/04/552944004.db2.gz	SERCODPKNQHSMV-SJORKVTESA-N	1	0	368.441	1.310	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+][C@H]3CCN(c4ccc5nncn5n4)C3)n2c1	ZINC000598991316	552954972	/nfs/dbraw/zinc/95/49/72/552954972.db2.gz	NRVGSCXCNQYKQK-AWEZNQCLSA-N	1	0	359.397	1.012	20	30		FDEDRO
COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2C[C@H](O)COc2ccccc2C#N)O1	ZINC000599404624	553048478	/nfs/dbraw/zinc/04/84/78/553048478.db2.gz	MSOBDQQRJHIAHJ-AYTJEOJGSA-N	1	0	374.437	1.481	20	30		FDEDRO
CC(C)(C[C@@H]1CCC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1)C(N)=O	ZINC000599432691	553055477	/nfs/dbraw/zinc/05/54/77/553055477.db2.gz	ZQAOVFWKCJGOSQ-HOTGVXAUSA-N	1	0	351.491	1.671	20	30		FDEDRO
CCOC(=O)CC[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)C(C)C	ZINC000599454067	553060890	/nfs/dbraw/zinc/06/08/90/553060890.db2.gz	GHZONSIGBQUKAA-UHFFFAOYSA-N	1	0	356.422	1.950	20	30		FDEDRO
N#Cc1ccccc1-c1ccc(C[NH+]2CCC(NS(N)(=O)=O)CC2)cc1	ZINC000599647621	553112291	/nfs/dbraw/zinc/11/22/91/553112291.db2.gz	RCWALSJQAYMJGS-UHFFFAOYSA-N	1	0	370.478	1.983	20	30		FDEDRO
COC(=O)[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)[C@H]2CCC[C@H]21	ZINC000599654819	553113810	/nfs/dbraw/zinc/11/38/10/553113810.db2.gz	SAXKAIFMQAPJIR-KANFNMMFSA-N	1	0	358.438	1.962	20	30		FDEDRO
CCC1(N2CCOCC2)CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1	ZINC000599663574	553116642	/nfs/dbraw/zinc/11/66/42/553116642.db2.gz	IPODYAHQVIRPSV-SFHVURJKSA-N	1	0	365.518	1.635	20	30		FDEDRO
N#Cc1cc(NC(=O)NCC[N@H+]2CC[C@H](O)C2)ccc1OC(F)(F)F	ZINC000599789987	553148371	/nfs/dbraw/zinc/14/83/71/553148371.db2.gz	NXUXOEUNOLDCNX-LBPRGKRZSA-N	1	0	358.320	1.645	20	30		FDEDRO
C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000599903806	553172034	/nfs/dbraw/zinc/17/20/34/553172034.db2.gz	LXEZYRPMQFXARL-GZMMTYOYSA-N	1	0	356.304	1.262	20	30		FDEDRO
C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NC1CCN(c3ccc(C#N)cn3)CC1)C2	ZINC000599908111	553172299	/nfs/dbraw/zinc/17/22/99/553172299.db2.gz	OJVNTMAJUMFZBD-BGYRXZFFSA-N	1	0	368.485	1.563	20	30		FDEDRO
C[NH2+]CCOCCNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000599936332	553177618	/nfs/dbraw/zinc/17/76/18/553177618.db2.gz	OMYYJAWYJMXNQM-UHFFFAOYSA-N	1	0	373.457	1.154	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)cnc1C(F)(F)F	ZINC000599939350	553179362	/nfs/dbraw/zinc/17/93/62/553179362.db2.gz	HUKGJWOFPHUQPI-CHWSQXEVSA-N	1	0	354.332	1.253	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(F)cc1C#N	ZINC000599955721	553184659	/nfs/dbraw/zinc/18/46/59/553184659.db2.gz	OJPZWYVJTUQRAS-WBMJQRKESA-N	1	0	374.416	1.587	20	30		FDEDRO
CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)Nc2cccc(C#N)c2)CC1	ZINC000600052112	553208630	/nfs/dbraw/zinc/20/86/30/553208630.db2.gz	QWJRCNLJUMTQQP-UHFFFAOYSA-N	1	0	356.426	1.210	20	30		FDEDRO
COc1ccc(C(=O)NCC[NH2+]C[C@H](O)CC2(C#N)CCOCC2)cc1	ZINC000600715182	553306406	/nfs/dbraw/zinc/30/64/06/553306406.db2.gz	GLCWKOMRMUWLJU-MRXNPFEDSA-N	1	0	361.442	1.086	20	30		FDEDRO
COC1CCN(C(C)(C)C[NH2+]C[C@H](O)COc2ccccc2C#N)CC1	ZINC000600720250	553306691	/nfs/dbraw/zinc/30/66/91/553306691.db2.gz	GHUWMIKZMUCHTL-KRWDZBQOSA-N	1	0	361.486	1.777	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]CC(=O)Nc2ccc(Cl)cc2)CCOCC1	ZINC000600721794	553306944	/nfs/dbraw/zinc/30/69/44/553306944.db2.gz	XJJQUTPJIONGEY-OAHLLOKOSA-N	1	0	351.834	1.939	20	30		FDEDRO
CN1CCN(C(=O)c2ccc(C[NH2+]C[C@H](O)CC3(C#N)CC3)cc2)CC1	ZINC000600720429	553306988	/nfs/dbraw/zinc/30/69/88/553306988.db2.gz	YJRAWBFSFSNIGO-GOSISDBHSA-N	1	0	356.470	1.219	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1	ZINC000600730675	553308425	/nfs/dbraw/zinc/30/84/25/553308425.db2.gz	MWIMCFRBZJMSDI-MSOLQXFVSA-N	1	0	357.454	1.679	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]C2CCN(c3nccs3)CC2)CCOCC1	ZINC000600734607	553308904	/nfs/dbraw/zinc/30/89/04/553308904.db2.gz	HXGYRJIFEBUKAB-OAHLLOKOSA-N	1	0	350.488	1.773	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)CCOCC1	ZINC000600735871	553309230	/nfs/dbraw/zinc/30/92/30/553309230.db2.gz	WDJFEFCKVLJAPY-ZWKOTPCHSA-N	1	0	363.502	1.971	20	30		FDEDRO
CS(=O)(=O)CC1(C[NH2+]C[C@@H](O)COc2ccccc2C#N)CCC1	ZINC000600735850	553309352	/nfs/dbraw/zinc/30/93/52/553309352.db2.gz	LVLMMYJIAVEFIT-OAHLLOKOSA-N	1	0	352.456	1.102	20	30		FDEDRO
CS(=O)(=O)CC1(C[NH2+]C[C@H](O)COc2ccccc2C#N)CCC1	ZINC000600735848	553309380	/nfs/dbraw/zinc/30/93/80/553309380.db2.gz	LVLMMYJIAVEFIT-HNNXBMFYSA-N	1	0	352.456	1.102	20	30		FDEDRO
Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]C[C@@H](O)CC1(C#N)CC1	ZINC000600740915	553309578	/nfs/dbraw/zinc/30/95/78/553309578.db2.gz	LCSJKUJACXHQEL-AWEZNQCLSA-N	1	0	371.890	1.571	20	30		FDEDRO
C=CCn1cc(C[NH2+]CC2(O)CCC(C(=O)OC(C)(C)C)CC2)nn1	ZINC000600739835	553309598	/nfs/dbraw/zinc/30/95/98/553309598.db2.gz	SYNZZULJVDAEGA-UHFFFAOYSA-N	1	0	350.463	1.817	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)CCOCC1	ZINC000600740767	553309623	/nfs/dbraw/zinc/30/96/23/553309623.db2.gz	BDECEKQESUGYAM-HOTGVXAUSA-N	1	0	368.424	1.777	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)CCOCC1	ZINC000600750449	553310850	/nfs/dbraw/zinc/31/08/50/553310850.db2.gz	WLTUOZNRQGUZMC-BJLQDIEVSA-N	1	0	362.445	1.953	20	30		FDEDRO
CN1C(=O)c2ccccc2[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1C#N	ZINC000600756776	553312041	/nfs/dbraw/zinc/31/20/41/553312041.db2.gz	PLQVXYHKNLMTGH-CRAIPNDOSA-N	1	0	351.406	1.714	20	30		FDEDRO
N#Cc1ccccc1OCc1ccc(C(=O)NCC[N@H+]2CC[C@H](O)C2)o1	ZINC000600806728	553316945	/nfs/dbraw/zinc/31/69/45/553316945.db2.gz	FMCJKDZHWSWNMZ-HNNXBMFYSA-N	1	0	355.394	1.527	20	30		FDEDRO
N#Cc1ccc(OC2CC[NH+](C[C@H](O)CC3(O)CCOCC3)CC2)cc1	ZINC000600847308	553321657	/nfs/dbraw/zinc/32/16/57/553321657.db2.gz	ZCAANDKNLYMERZ-QGZVFWFLSA-N	1	0	360.454	1.694	20	30		FDEDRO
CCc1nc(C#N)cc(N[C@@H](CC(C)C)C(=O)N2CC[C@H]([NH+](C)C)C2)n1	ZINC000601192556	553358412	/nfs/dbraw/zinc/35/84/12/553358412.db2.gz	WVNPSVAYMJSBTC-HOTGVXAUSA-N	1	0	358.490	1.900	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)S(=O)(=O)CCC[NH+]1CCCC1	ZINC000601325114	553376220	/nfs/dbraw/zinc/37/62/20/553376220.db2.gz	FMAPVWOINKNLLH-UHFFFAOYSA-N	1	0	365.499	1.822	20	30		FDEDRO
C=CCN1CCC(NS(=O)(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)CC1	ZINC000601338449	553379061	/nfs/dbraw/zinc/37/90/61/553379061.db2.gz	VSDHBWGIHJNTEE-HNNXBMFYSA-N	1	0	373.519	1.277	20	30		FDEDRO
Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC([N@H+](C)CCCO)CC1	ZINC000601354776	553383875	/nfs/dbraw/zinc/38/38/75/553383875.db2.gz	WHRROKPFMMQYFL-UHFFFAOYSA-N	1	0	369.462	1.473	20	30		FDEDRO
C[NH+](C)CCCOC1CCN(S(=O)(=O)c2ccccc2CC#N)CC1	ZINC000601365667	553386206	/nfs/dbraw/zinc/38/62/06/553386206.db2.gz	WAESRSUOCUQGFF-UHFFFAOYSA-N	1	0	365.499	1.874	20	30		FDEDRO
N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)c2)cc1	ZINC000601572074	553437808	/nfs/dbraw/zinc/43/78/08/553437808.db2.gz	DTAFNXDAPUQFIX-HOTGVXAUSA-N	1	0	362.389	1.862	20	30		FDEDRO
N#CCCN1CCN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1	ZINC000601572181	553437878	/nfs/dbraw/zinc/43/78/78/553437878.db2.gz	PJMDCKRDHBRHQV-FQEVSTJZSA-N	1	0	369.513	1.792	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCn1ccc(C(F)(F)F)n1	ZINC000601975041	553497833	/nfs/dbraw/zinc/49/78/33/553497833.db2.gz	YVUTXXNPNVSJOB-ZDUSSCGKSA-N	1	0	354.332	1.803	20	30		FDEDRO
CC(C)CCN(CCC#N)C(=O)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1	ZINC000602037086	553505687	/nfs/dbraw/zinc/50/56/87/553505687.db2.gz	XFFSQDJPWMNZHU-UHFFFAOYSA-N	1	0	374.489	1.877	20	30		FDEDRO
C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CCC[C@@H](CC#N)C3)cn2)CC1	ZINC000602050463	553508395	/nfs/dbraw/zinc/50/83/95/553508395.db2.gz	IPGHTTSAOAUTBL-AWEZNQCLSA-N	1	0	358.446	1.241	20	30		FDEDRO
CN1CCCC[C@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1=O	ZINC000602178049	553534341	/nfs/dbraw/zinc/53/43/41/553534341.db2.gz	UQEKLKFXRPBFDV-LJQANCHMSA-N	1	0	368.481	1.897	20	30		FDEDRO
C[NH+]1CCN(Cc2ccc(C(=O)N3CCN(CCC#N)CC3)cc2)CC1	ZINC000602209151	553540589	/nfs/dbraw/zinc/54/05/89/553540589.db2.gz	WQMMXYCUYUOLSV-UHFFFAOYSA-N	1	0	355.486	1.105	20	30		FDEDRO
C[NH+](C)C[C@H](NC(=O)NCC(=O)NCC#N)c1cccc(C(F)(F)F)c1	ZINC000602315415	553562348	/nfs/dbraw/zinc/56/23/48/553562348.db2.gz	YEFRUFZTDRQYLG-ZDUSSCGKSA-N	1	0	371.363	1.247	20	30		FDEDRO
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1	ZINC000602533957	553600516	/nfs/dbraw/zinc/60/05/16/553600516.db2.gz	ZYUSZOPDTHDNRW-SFHVURJKSA-N	1	0	356.470	1.801	20	30		FDEDRO
CO[C@@]1(C[NH+]2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CCOC1	ZINC000602709700	553626117	/nfs/dbraw/zinc/62/61/17/553626117.db2.gz	PMVQTUUBOPOKMI-HXUWFJFHSA-N	1	0	367.453	1.876	20	30		FDEDRO
C[C@](O)(C[C@H](O)CN1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C1CC1	ZINC000602799120	553640874	/nfs/dbraw/zinc/64/08/74/553640874.db2.gz	BABBBJMYYJJHQN-UFYCRDLUSA-N	1	0	361.461	1.920	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C[C@H](C)N1CC#N	ZINC000602854172	553651489	/nfs/dbraw/zinc/65/14/89/553651489.db2.gz	AGNRPNIFRSUMDO-HDICACEKSA-N	1	0	370.501	1.038	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C[NH2+][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)c1	ZINC000602888726	553660842	/nfs/dbraw/zinc/66/08/42/553660842.db2.gz	BRYWSYUJFVANDJ-HKUYNNGSSA-N	1	0	357.454	1.474	20	30		FDEDRO
C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C[C@H](O)CC1(C#N)CCOCC1	ZINC000602909156	553666226	/nfs/dbraw/zinc/66/62/26/553666226.db2.gz	ZNXUYVCHNMNYMI-QZTJIDSGSA-N	1	0	365.518	1.633	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)CN1CC2(CCCC2)OC[C@@H]1C[NH+](C)C	ZINC000602912313	553667711	/nfs/dbraw/zinc/66/77/11/553667711.db2.gz	IUDYZHNPVNCRHU-FUHWJXTLSA-N	1	0	350.507	1.616	20	30		FDEDRO
CN1C2(CCC2)COC[C@]1(CO)CNC(=O)Nc1cc(F)cc(C#N)c1	ZINC000603068323	553705138	/nfs/dbraw/zinc/70/51/38/553705138.db2.gz	YECDCPUDBAKYGR-GOSISDBHSA-N	1	0	362.405	1.435	20	30		FDEDRO
Cc1cc(NC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)ncc1C#N	ZINC000603120239	553712347	/nfs/dbraw/zinc/71/23/47/553712347.db2.gz	MXFHJBRSKYWECQ-DOTOQJQBSA-N	1	0	356.474	1.751	20	30		FDEDRO
C[NH+](C)Cc1ccnc(NC(=O)N2CCN(c3cnccc3C#N)CC2)c1	ZINC000603141415	553714272	/nfs/dbraw/zinc/71/42/72/553714272.db2.gz	AZMHEDBZYIWMIL-UHFFFAOYSA-N	1	0	365.441	1.764	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F	ZINC000603142778	553715066	/nfs/dbraw/zinc/71/50/66/553715066.db2.gz	FHESUBLRQOFXSK-YUTCNCBUSA-N	1	0	373.375	1.511	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)Cn2cc(C[C@@H]3CC[NH2+]C3)nn2)c1C	ZINC000603207790	553732407	/nfs/dbraw/zinc/73/24/07/553732407.db2.gz	VZLZYBMFMFUXFT-KRWDZBQOSA-N	1	0	366.469	1.994	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)CCn1ccnc1	ZINC000603275435	553750573	/nfs/dbraw/zinc/75/05/73/553750573.db2.gz	GFBUSYZOIJBWKW-UHFFFAOYSA-N	1	0	361.471	1.148	20	30		FDEDRO
CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)c1nccnc1C#N	ZINC000603402402	553780225	/nfs/dbraw/zinc/78/02/25/553780225.db2.gz	ROFBKJSWMVIXIP-UHFFFAOYSA-N	1	0	364.409	1.012	20	30		FDEDRO
C[N@@H+]1CCCN(CCCNS(=O)(=O)CC2(C#N)CCCCC2)CC1	ZINC000603401714	553780241	/nfs/dbraw/zinc/78/02/41/553780241.db2.gz	GOVKTNOCYFTRKN-UHFFFAOYSA-N	1	0	356.536	1.407	20	30		FDEDRO
C[C@H](C[NH+]1CCC(C)CC1)Nc1ccc(C#N)cc1CS(N)(=O)=O	ZINC000603411361	553781954	/nfs/dbraw/zinc/78/19/54/553781954.db2.gz	BPQLMRWVGREGCL-CQSZACIVSA-N	1	0	350.488	1.879	20	30		FDEDRO
N#Cc1cc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)c2ccccc2n1	ZINC000603422363	553784432	/nfs/dbraw/zinc/78/44/32/553784432.db2.gz	GQKJIOOTQPWVRQ-QGZVFWFLSA-N	1	0	365.481	1.737	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000603919466	553830136	/nfs/dbraw/zinc/83/01/36/553830136.db2.gz	JQYSOYDPIVANDR-DLBZAZTESA-N	1	0	361.467	1.216	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCC[C@H](C(=O)N(C)C)C2)CC1	ZINC000604112566	553843021	/nfs/dbraw/zinc/84/30/21/553843021.db2.gz	YLOMBTJUBVFCQX-RDJZCZTQSA-N	1	0	350.507	1.973	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Cn3cncn3)cc2)c1C#N	ZINC000604285382	553859618	/nfs/dbraw/zinc/85/96/18/553859618.db2.gz	DGACJSWTHQOTFJ-UHFFFAOYSA-N	1	0	364.413	1.325	20	30		FDEDRO
C[NH+](C)CCCNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000604535008	553885465	/nfs/dbraw/zinc/88/54/65/553885465.db2.gz	DZUNDPMUCDDHBO-UHFFFAOYSA-N	1	0	357.458	1.870	20	30		FDEDRO
C=CCCOCC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1	ZINC000606334030	554057263	/nfs/dbraw/zinc/05/72/63/554057263.db2.gz	VFRGFWLVXQAMMQ-UHFFFAOYSA-N	1	0	361.486	1.868	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C1	ZINC000609269423	554353974	/nfs/dbraw/zinc/35/39/74/554353974.db2.gz	QDSLRAZAHQYOOG-IEBWSBKVSA-N	1	0	356.470	1.754	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1	ZINC000609421137	554375546	/nfs/dbraw/zinc/37/55/46/554375546.db2.gz	ROSUDXDYZDUPKX-UHFFFAOYSA-N	1	0	367.453	1.818	20	30		FDEDRO
C[C@@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1cccc(C#N)c1	ZINC000610355187	554495141	/nfs/dbraw/zinc/49/51/41/554495141.db2.gz	KBNAABSKTSPPKC-MRXNPFEDSA-N	1	0	369.469	1.569	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+](C(C)(C)CO)CC1	ZINC000610481027	554516862	/nfs/dbraw/zinc/51/68/62/554516862.db2.gz	DLXREXOFSLIVCR-KRWDZBQOSA-N	1	0	358.486	1.710	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)NC2CCN(CC#N)CC2)C[N@@H+]1Cc1ccccc1	ZINC000610707190	554552623	/nfs/dbraw/zinc/55/26/23/554552623.db2.gz	DFUKLFOCVKTQKP-QFBILLFUSA-N	1	0	355.486	1.937	20	30		FDEDRO
CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000610721429	554554075	/nfs/dbraw/zinc/55/40/75/554554075.db2.gz	JVBZLOZLMWVMOB-QGZVFWFLSA-N	1	0	356.474	1.659	20	30		FDEDRO
Cc1nnc([C@H]2CCC[N@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)[nH]1	ZINC000610764357	554559476	/nfs/dbraw/zinc/55/94/76/554559476.db2.gz	NYSFMWCYKJACNO-IRXDYDNUSA-N	1	0	355.442	1.799	20	30		FDEDRO
N#Cc1cc(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)ccc1OCC(F)(F)F	ZINC000611200929	554614680	/nfs/dbraw/zinc/61/46/80/554614680.db2.gz	KRCQHGCJYCCHAO-AWEZNQCLSA-N	1	0	368.359	1.828	20	30		FDEDRO
N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+](CCCO)C2CC2)CC1	ZINC000611430264	554632744	/nfs/dbraw/zinc/63/27/44/554632744.db2.gz	NJIGYIPMHDDNGA-IBGZPJMESA-N	1	0	374.460	1.381	20	30		FDEDRO
COC[C@@H]1CCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000611430026	554632864	/nfs/dbraw/zinc/63/28/64/554632864.db2.gz	QNRSQZYOPSNRKJ-JKSUJKDBSA-N	1	0	362.499	1.568	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1	ZINC000611888280	554697094	/nfs/dbraw/zinc/69/70/94/554697094.db2.gz	ZSFZOTBWKOGJFP-JZXOWHBKSA-N	1	0	363.502	1.607	20	30		FDEDRO
N#Cc1cc(N2CCC(O)(C[NH+]3CCOCC3)CC2)nc2ccccc12	ZINC000612452090	554784246	/nfs/dbraw/zinc/78/42/46/554784246.db2.gz	SIRXWTGIXAQCRE-UHFFFAOYSA-N	1	0	352.438	1.770	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1	ZINC000612691461	554825911	/nfs/dbraw/zinc/82/59/11/554825911.db2.gz	QNFUFHOHHSASDU-IBGZPJMESA-N	1	0	364.534	1.474	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1	ZINC000613388269	554920406	/nfs/dbraw/zinc/92/04/06/554920406.db2.gz	NBCQYQZZSIOGCB-OALUTQOASA-N	1	0	359.470	1.340	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1	ZINC000613859869	554980583	/nfs/dbraw/zinc/98/05/83/554980583.db2.gz	KKAOTZOLAIDZKQ-WOJBJXKFSA-N	1	0	371.529	1.571	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)c3cc(O)cc(C#N)c3)ccn2)CC1	ZINC000614296585	555034781	/nfs/dbraw/zinc/03/47/81/555034781.db2.gz	JUCPDALTSXSUNU-UHFFFAOYSA-N	1	0	351.410	1.341	20	30		FDEDRO
N#Cc1cc(O)cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)c1	ZINC000614374548	555044333	/nfs/dbraw/zinc/04/43/33/555044333.db2.gz	UACJGXGOGULZBE-FXAWDEMLSA-N	1	0	365.433	1.877	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[N@H+](CCO)C(C)(C)C1	ZINC000614923495	555138679	/nfs/dbraw/zinc/13/86/79/555138679.db2.gz	NYYGTXOGFLMKMN-KRWDZBQOSA-N	1	0	358.486	1.710	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000615225589	555174809	/nfs/dbraw/zinc/17/48/09/555174809.db2.gz	GFADYVIWHYBYQG-ZWOKBUDYSA-N	1	0	367.534	1.909	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](CC)C[NH+]1CCCC1	ZINC000615313591	555190230	/nfs/dbraw/zinc/19/02/30/555190230.db2.gz	SFDVABCYCGIDHD-HNNXBMFYSA-N	1	0	358.442	1.886	20	30		FDEDRO
CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[C@](F)(C#N)C3)c2)CC1	ZINC000615632752	555223102	/nfs/dbraw/zinc/22/31/02/555223102.db2.gz	IZVAAOIIAMSMBX-IBGZPJMESA-N	1	0	373.432	1.231	20	30		FDEDRO
Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3CC[C@@](F)(C#N)C3)CC2)cc1	ZINC000615639427	555224190	/nfs/dbraw/zinc/22/41/90/555224190.db2.gz	SZMGTTVPFHVUCO-HXUWFJFHSA-N	1	0	358.461	1.967	20	30		FDEDRO
CC(C)[C@H]([NH2+]Cc1ccnc(C#N)c1)C(=O)N(C)Cc1nnc2n1CCC2	ZINC000619297702	555758294	/nfs/dbraw/zinc/75/82/94/555758294.db2.gz	FLJNSTSPHQVWSQ-SFHVURJKSA-N	1	0	367.457	1.264	20	30		FDEDRO
C[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)n1cnc(C#N)n1	ZINC000619594527	555805487	/nfs/dbraw/zinc/80/54/87/555805487.db2.gz	DILPDULMVZFENR-DVOMOZLQSA-N	1	0	358.471	1.972	20	30		FDEDRO
CN1CC[NH+](CCCCNC(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1	ZINC000619610785	555808637	/nfs/dbraw/zinc/80/86/37/555808637.db2.gz	RUGYCEARLRRLSD-UHFFFAOYSA-N	1	0	366.469	1.501	20	30		FDEDRO
C=C[C@H](C(=O)OC)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1	ZINC000619719773	555825768	/nfs/dbraw/zinc/82/57/68/555825768.db2.gz	BSFCQVWIYHRJGC-QGZVFWFLSA-N	1	0	351.491	1.418	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](c3ccnc(N)n3)C2)cc1	ZINC000619781913	555833301	/nfs/dbraw/zinc/83/33/01/555833301.db2.gz	DHRYREADSJHWTK-DLBZAZTESA-N	1	0	367.453	1.744	20	30		FDEDRO
C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000624989042	556685882	/nfs/dbraw/zinc/68/58/82/556685882.db2.gz	MVMFXOYAEVFZCT-INIZCTEOSA-N	1	0	371.489	1.793	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[NH2+][C@@]1(CO)CCc2ccccc21	ZINC000625260905	556756619	/nfs/dbraw/zinc/75/66/19/556756619.db2.gz	DNVVDXLFAFGTIQ-JOCHJYFZSA-N	1	0	360.413	1.710	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1	ZINC000625396116	556793024	/nfs/dbraw/zinc/79/30/24/556793024.db2.gz	OSHSQQBXFRFKQR-UHFFFAOYSA-N	1	0	351.491	1.276	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1	ZINC000625847215	556937977	/nfs/dbraw/zinc/93/79/77/556937977.db2.gz	RADRQCZHMCWMNS-ZFWWWQNUSA-N	1	0	366.487	1.755	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1	ZINC000627304370	557344075	/nfs/dbraw/zinc/34/40/75/557344075.db2.gz	RUWIMUITICLXIT-BGYRXZFFSA-N	1	0	357.454	1.326	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2	ZINC000627440225	557402824	/nfs/dbraw/zinc/40/28/24/557402824.db2.gz	GFPWSEZWUDLPQK-KRWDZBQOSA-N	1	0	357.454	1.611	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1	ZINC000631910038	558063115	/nfs/dbraw/zinc/06/31/15/558063115.db2.gz	VJMMCDWSLRTJQQ-NSHDSACASA-N	1	0	350.893	1.708	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1	ZINC000634749552	558520731	/nfs/dbraw/zinc/52/07/31/558520731.db2.gz	XYFXVBIGTNWXCS-HDICACEKSA-N	1	0	363.483	1.223	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cnn(C)c2C)CC1	ZINC000365397845	568613474	/nfs/dbraw/zinc/61/34/74/568613474.db2.gz	VXHLHTSIOOPEEM-YJBOKZPZSA-N	1	0	359.474	1.015	20	30		FDEDRO
Cc1n[nH]cc1CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1	ZINC000328630814	571325189	/nfs/dbraw/zinc/32/51/89/571325189.db2.gz	QFFNPOOPAKBQGI-WMLDXEAASA-N	1	0	359.478	1.881	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)nc1)C(C)C	ZINC000735418533	599032186	/nfs/dbraw/zinc/03/21/86/599032186.db2.gz	FCMYLSWXDHECJE-INIZCTEOSA-N	1	0	355.446	1.690	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)COc1ccccc1-c1nn[nH]n1	ZINC000821182496	607322530	/nfs/dbraw/zinc/32/25/30/607322530.db2.gz	VIYUYPRCUIQQQR-AWEZNQCLSA-N	1	0	357.414	1.522	20	30		FDEDRO
CNC(=O)CC[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1	ZINC000272587785	674458982	/nfs/dbraw/zinc/45/89/82/674458982.db2.gz	FRRWZDMWBCRZSG-HNNXBMFYSA-N	1	0	365.275	1.767	20	30		FDEDRO
C#CC[N@H+](CC#CC)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2	ZINC000819697879	599640589	/nfs/dbraw/zinc/64/05/89/599640589.db2.gz	NAVHZOHSOZBHQV-UHFFFAOYSA-N	1	0	368.466	1.704	20	30		FDEDRO
C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)CN1CC[NH+](CC)CC1	ZINC000819743203	599698248	/nfs/dbraw/zinc/69/82/48/599698248.db2.gz	FPKKTXXPXUJSDD-UHFFFAOYSA-N	1	0	369.473	1.019	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@@H](C)CC(=O)Nc1cccc(C(=O)OC)c1	ZINC000272900368	674486908	/nfs/dbraw/zinc/48/69/08/674486908.db2.gz	UZFLPHXXMXGDPY-ZDUSSCGKSA-N	1	0	368.455	1.381	20	30		FDEDRO
N#Cc1ccccc1N1CCC[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)CC1	ZINC000826387033	607485930	/nfs/dbraw/zinc/48/59/30/607485930.db2.gz	CTXJEMMWDISNKD-UHFFFAOYSA-N	1	0	360.425	1.846	20	30		FDEDRO
C=CCC[C@@H](O)C[NH+]1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1	ZINC000819733833	606746394	/nfs/dbraw/zinc/74/63/94/606746394.db2.gz	BWLUJOXDKZFINI-QGZVFWFLSA-N	1	0	370.457	1.844	20	30		FDEDRO
C=CC[N@@H+](CCCNS(=O)(=O)CC)Cc1cccc(-c2nn[nH]n2)c1	ZINC000823904184	607795377	/nfs/dbraw/zinc/79/53/77/607795377.db2.gz	WRWOAYFRYNXILX-UHFFFAOYSA-N	1	0	364.475	1.184	20	30		FDEDRO
COc1ccc(CO[NH+]=C(N)c2ccc(N(C)C)cc2)cc1-c1nn[nH]n1	ZINC000826206791	607972765	/nfs/dbraw/zinc/97/27/65/607972765.db2.gz	LIVIUVHJQUMNOS-UHFFFAOYSA-N	1	0	367.413	1.778	20	30		FDEDRO
C#CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccccc1	ZINC000823838621	608518890	/nfs/dbraw/zinc/51/88/90/608518890.db2.gz	SAOTYSISDCOAHT-IEBWSBKVSA-N	1	0	363.421	1.961	20	30		FDEDRO
N#CCC1CC[NH+]([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1	ZINC000826380862	609428954	/nfs/dbraw/zinc/42/89/54/609428954.db2.gz	ORVPXVMSRMOFGK-KRWDZBQOSA-N	1	0	365.441	1.988	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1nc(C(C)(C)C)ns1	ZINC000275738223	674630889	/nfs/dbraw/zinc/63/08/89/674630889.db2.gz	ATMNMBROAGQOKW-UHFFFAOYSA-N	1	0	366.491	1.468	20	30		FDEDRO
NC(=NOC[C@H]1CCS(=O)(=O)C1)c1ccccc1C[NH+]1CCCCC1	ZINC000278553721	675152913	/nfs/dbraw/zinc/15/29/13/675152913.db2.gz	BTCJHWMSYVMELN-OAHLLOKOSA-N	1	0	365.499	1.744	20	30		FDEDRO
NC(=[NH+]OC[C@@H]1CCS(=O)(=O)C1)c1ccc(N2CCCCC2)cc1	ZINC000278717607	675184717	/nfs/dbraw/zinc/18/47/17/675184717.db2.gz	SLBJFKJPSQPJLG-AWEZNQCLSA-N	1	0	351.472	1.749	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)Cc2cc(Cl)cn2C)CC1	ZINC000286646298	675897907	/nfs/dbraw/zinc/89/79/07/675897907.db2.gz	NEBGQZYZHKRXJZ-UHFFFAOYSA-N	1	0	366.893	1.794	20	30		FDEDRO
CC1CCN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C[C@@H]2CCCO2)CC1	ZINC000074549975	671412675	/nfs/dbraw/zinc/41/26/75/671412675.db2.gz	FVXUCMAJVQMHMH-HOTGVXAUSA-N	1	0	357.520	1.278	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2C)cc1	ZINC000287078720	675912205	/nfs/dbraw/zinc/91/22/05/675912205.db2.gz	IGGIIAPTOPKBGA-TZMCWYRMSA-N	1	0	350.444	1.588	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC[N@H+]2CC=CCC2)cc1	ZINC000287485337	675917323	/nfs/dbraw/zinc/91/73/23/675917323.db2.gz	ZFDSKPICZFZUMG-CQSZACIVSA-N	1	0	362.455	1.756	20	30		FDEDRO
C[C@@H]1CCCN(C(=[NH2+])NCCN2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000104175030	671594803	/nfs/dbraw/zinc/59/48/03/671594803.db2.gz	YNPINKQEEATFAW-OAHLLOKOSA-N	1	0	353.511	1.586	20	30		FDEDRO
[NH2+]=C(NC[C@H](O)COc1cccc(C(F)(F)F)c1)N1CCSCC1	ZINC000104179989	671595052	/nfs/dbraw/zinc/59/50/52/671595052.db2.gz	PERKSNYBFOOKSY-LBPRGKRZSA-N	1	0	363.405	1.809	20	30		FDEDRO
CC[NH+](CC)CCNC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1	ZINC000287682686	675919279	/nfs/dbraw/zinc/91/92/79/675919279.db2.gz	QUBSUJSANOWOKQ-CYBMUJFWSA-N	1	0	352.460	1.836	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)ccc1F	ZINC000108342322	671615991	/nfs/dbraw/zinc/61/59/91/671615991.db2.gz	SQPZEEYGOCPIOI-CYBMUJFWSA-N	1	0	369.462	1.362	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)oc1C	ZINC000121492366	671705713	/nfs/dbraw/zinc/70/57/13/671705713.db2.gz	NFJJMQBDAZJPAD-CYBMUJFWSA-N	1	0	370.471	1.729	20	30		FDEDRO
C#CCN1CCN(C(=O)CN2CCC[C@H]2CC(=O)c2cccs2)CC1	ZINC000121753603	671709798	/nfs/dbraw/zinc/70/97/98/671709798.db2.gz	SJFOEBQLYIIPOX-INIZCTEOSA-N	1	0	359.495	1.563	20	30		FDEDRO
C[C@H]1CCCN(C(=[NH2+])NCCNS(=O)(=O)c2ccc(Cl)s2)C1	ZINC000130679182	671796648	/nfs/dbraw/zinc/79/66/48/671796648.db2.gz	HCMFZDFFYMAAEM-JTQLQIEISA-N	1	0	364.924	1.726	20	30		FDEDRO
CC[NH+]=C(NCCc1sc(C)nc1C)N[C@H]1CCc2nc(C)nn2C1	ZINC000131626554	671805313	/nfs/dbraw/zinc/80/53/13/671805313.db2.gz	GNHBZJGLEPYVMM-AWEZNQCLSA-N	1	0	361.519	1.772	20	30		FDEDRO
CC(C)Oc1ccc(NC(=[NH2+])NC[C@H]2CCN(S(C)(=O)=O)C2)cc1	ZINC000133838834	671823814	/nfs/dbraw/zinc/82/38/14/671823814.db2.gz	PXWIWNSMTBWEJQ-CYBMUJFWSA-N	1	0	354.476	1.482	20	30		FDEDRO
CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)cc1	ZINC000134109556	671826126	/nfs/dbraw/zinc/82/61/26/671826126.db2.gz	XZRCVSSOXFHXKL-XJKSGUPXSA-N	1	0	368.503	1.918	20	30		FDEDRO
[NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NC[C@H]1CCCS1(=O)=O	ZINC000153251213	671898459	/nfs/dbraw/zinc/89/84/59/671898459.db2.gz	UNVCCQXQZAVBNQ-GFCCVEGCSA-N	1	0	365.377	1.567	20	30		FDEDRO
CC[NH+]=C(NCCC(=O)N1CCOCC1)N1CCS[C@@H](C(C)C)C1	ZINC000153759123	671908142	/nfs/dbraw/zinc/90/81/42/671908142.db2.gz	CRIGUZLDAJQUNI-OAHLLOKOSA-N	1	0	356.536	1.274	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2NS(C)(=O)=O)cc1	ZINC000154290309	671919496	/nfs/dbraw/zinc/91/94/96/671919496.db2.gz	WTLIEWMHNIWUOI-UNEWFSDZSA-N	1	0	351.472	1.785	20	30		FDEDRO
CC[S@@](=O)[C@@H]1CCC[C@H](NC(NCC2CCN(C(C)=O)CC2)=[NH+]C)C1	ZINC000155983450	671949606	/nfs/dbraw/zinc/94/96/06/671949606.db2.gz	WRFOQSWQCHKASZ-QLODZENZSA-N	1	0	370.563	1.490	20	30		FDEDRO
CC[NH+]=C(NCC(C)(C)N1CCCCC1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158571309	671981141	/nfs/dbraw/zinc/98/11/41/671981141.db2.gz	PRGWRVUQBZKHNA-UHFFFAOYSA-N	1	0	372.579	1.725	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1	ZINC000288218302	675977540	/nfs/dbraw/zinc/97/75/40/675977540.db2.gz	DRMJWUALISDYEO-UHFFFAOYSA-N	1	0	351.472	1.167	20	30		FDEDRO
[NH2+]=C(NCc1cc2c(c(Br)c1)OCO2)NC[C@@H]1CCCO1	ZINC000195523222	672408098	/nfs/dbraw/zinc/40/80/98/672408098.db2.gz	JSTSHTVKVRVJNF-JTQLQIEISA-N	1	0	356.220	1.761	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])ccc1F	ZINC000237440183	672422663	/nfs/dbraw/zinc/42/26/63/672422663.db2.gz	CJUZGKABZJRKGO-WFASDCNBSA-N	1	0	369.462	1.632	20	30		FDEDRO
CO[C@@H]1CCC[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1	ZINC000245643820	672456021	/nfs/dbraw/zinc/45/60/21/672456021.db2.gz	FBKBJDFWMUMFLX-HZPDHXFCSA-N	1	0	362.499	1.568	20	30		FDEDRO
CS[C@@H]1CCCC[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1	ZINC000246120018	672493425	/nfs/dbraw/zinc/49/34/25/672493425.db2.gz	QMZOVDHCUKSBMV-IAGOWNOFSA-N	1	0	352.548	1.896	20	30		FDEDRO
CC[C@@]1(C)CCN(C(NCCNS(=O)(=O)c2cccnc2)=[NH+]C)C1	ZINC000261681435	672649996	/nfs/dbraw/zinc/64/99/96/672649996.db2.gz	DEKDVNTWFLFFIH-INIZCTEOSA-N	1	0	353.492	1.057	20	30		FDEDRO
CC[NH+]=C(NCc1cccc(F)c1)NCC1CCN(S(C)(=O)=O)CC1	ZINC000261713645	672657127	/nfs/dbraw/zinc/65/71/27/672657127.db2.gz	VNSHNGPBKMFDAO-UHFFFAOYSA-N	1	0	370.494	1.552	20	30		FDEDRO
C[NH+]=C(NCc1csc(Br)c1)N1CCO[C@H](COC)C1	ZINC000261762647	672667199	/nfs/dbraw/zinc/66/71/99/672667199.db2.gz	DBFNBMVHXHZYGB-NSHDSACASA-N	1	0	362.293	1.933	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCC[C@@H]1O)N(C)Cc1cc(Br)cn1C	ZINC000261844514	672682091	/nfs/dbraw/zinc/68/20/91/672682091.db2.gz	XCIBNWUHRPBEDK-RISCZKNCSA-N	1	0	357.296	1.956	20	30		FDEDRO
CC[NH+]=C(NC[C@]1(C)CCOC1)N1CCN([C@H](C)C(F)(F)F)CC1	ZINC000261857668	672684580	/nfs/dbraw/zinc/68/45/80/672684580.db2.gz	MYBNHGLWKSLJOC-HIFRSBDPSA-N	1	0	350.429	1.947	20	30		FDEDRO
C[C@H]1CCCN(S(=O)(=O)c2ccc(CNC(=[NH2+])NC3CC3)cc2)C1	ZINC000261882865	672688296	/nfs/dbraw/zinc/68/82/96/672688296.db2.gz	RIAOLUUSBLSLKO-ZDUSSCGKSA-N	1	0	350.488	1.674	20	30		FDEDRO
C[NH+]=C(NCCc1cc2ccccc2[nH]1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261946992	672699043	/nfs/dbraw/zinc/69/90/43/672699043.db2.gz	GEFSIWDAGJSADI-UHFFFAOYSA-N	1	0	362.499	1.795	20	30		FDEDRO
CCn1cnnc1CNC(N[C@@H]1CCN(c2ncccc2Cl)C1)=[NH+]C	ZINC000261946708	672699300	/nfs/dbraw/zinc/69/93/00/672699300.db2.gz	GBJQWJRJZLKQDJ-GFCCVEGCSA-N	1	0	362.869	1.290	20	30		FDEDRO
CCn1cnnc1CNC(N[C@H]1CCN(c2ncccc2Cl)C1)=[NH+]C	ZINC000261946712	672699383	/nfs/dbraw/zinc/69/93/83/672699383.db2.gz	GBJQWJRJZLKQDJ-LBPRGKRZSA-N	1	0	362.869	1.290	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1C[C@H](OCC)C12CCC2)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261950161	672700035	/nfs/dbraw/zinc/70/00/35/672700035.db2.gz	HCUIGQMXAHRFSU-CABCVRRESA-N	1	0	371.547	1.809	20	30		FDEDRO
C#CCOc1ccccc1CNC(=[NH+]C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261985169	672707137	/nfs/dbraw/zinc/70/71/37/672707137.db2.gz	PWLGQHHGHKFRSR-UHFFFAOYSA-N	1	0	363.483	1.283	20	30		FDEDRO
CC[NH+]=C(NCCN1CCCC[C@@H]1C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000262019952	672713233	/nfs/dbraw/zinc/71/32/33/672713233.db2.gz	YNYKDGXLIQZQFO-HNNXBMFYSA-N	1	0	358.552	1.335	20	30		FDEDRO
CN(C)C(=[NH+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(C)C	ZINC000262023824	672714094	/nfs/dbraw/zinc/71/40/94/672714094.db2.gz	YSEZOJSODXYCAZ-UHFFFAOYSA-N	1	0	352.504	1.840	20	30		FDEDRO
CC[NH+]=C(NCCc1ncc(CC)s1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000262026481	672714455	/nfs/dbraw/zinc/71/44/55/672714455.db2.gz	ZUHMJGYHGPBAPH-UHFFFAOYSA-N	1	0	372.560	1.723	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N(C)Cc1ccc2c(c1)OCO2	ZINC000262293805	672763466	/nfs/dbraw/zinc/76/34/66/672763466.db2.gz	YCVYWFNAOMBBAH-AWEZNQCLSA-N	1	0	367.471	1.247	20	30		FDEDRO
Cn1ccc(CNC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)c1	ZINC000262342650	672773823	/nfs/dbraw/zinc/77/38/23/672773823.db2.gz	CUNHXZULEIILIW-HNNXBMFYSA-N	1	0	352.504	1.438	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCc2cc(F)ccc2C1	ZINC000262354656	672775600	/nfs/dbraw/zinc/77/56/00/672775600.db2.gz	FREXIIJSZQCWEL-CQSZACIVSA-N	1	0	367.490	1.973	20	30		FDEDRO
CN(C)[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)c1cccs1	ZINC000262356131	672775806	/nfs/dbraw/zinc/77/58/06/672775806.db2.gz	UZONJNIGNHKKIH-AWEZNQCLSA-N	1	0	359.503	1.278	20	30		FDEDRO
C=C(C)CNC(=[NH+]C[C@H]1CCS(=O)(=O)C1)N1CCC2(C1)CCOCC2	ZINC000262359371	672776339	/nfs/dbraw/zinc/77/63/39/672776339.db2.gz	GMMIINFBZZEPKF-MRXNPFEDSA-N	1	0	369.531	1.445	20	30		FDEDRO
Cn1ccc(CNC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCCC2)c1	ZINC000262360243	672776661	/nfs/dbraw/zinc/77/66/61/672776661.db2.gz	GQLPTFBSDNUILL-INIZCTEOSA-N	1	0	366.531	1.828	20	30		FDEDRO
CC[C@H](C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](N2CC=CC2)C1	ZINC000262405601	672783965	/nfs/dbraw/zinc/78/39/65/672783965.db2.gz	OKGRIXOEEBTVSP-ULQDDVLXSA-N	1	0	368.547	1.111	20	30		FDEDRO
Cc1cc(Br)cn2cc(CNC(=[NH2+])NC[C@@H]3CCCO3)nc12	ZINC000262414975	672785775	/nfs/dbraw/zinc/78/57/75/672785775.db2.gz	YUNAOKRRTICNPQ-ZDUSSCGKSA-N	1	0	366.263	1.989	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(=[NH+]C2CC2)N2CC[C@H](N3CCCCC3)C2)C1	ZINC000262422970	672786968	/nfs/dbraw/zinc/78/69/68/672786968.db2.gz	RGCPOICHYROGPG-WBVHZDCISA-N	1	0	368.547	1.089	20	30		FDEDRO
C[NH+]=C(NC[C@@]1(O)CCSC1)N1CCN(c2ccc(F)cc2)CC1	ZINC000262425729	672787593	/nfs/dbraw/zinc/78/75/93/672787593.db2.gz	RPFSTHWHBKXXTM-KRWDZBQOSA-N	1	0	352.479	1.391	20	30		FDEDRO
C[NH+]=C(NCC1(N2CCOCC2)CCCCC1)N1CC[C@H](COC)C1	ZINC000262431443	672788606	/nfs/dbraw/zinc/78/86/06/672788606.db2.gz	FEYXUXAHQVUMEC-KRWDZBQOSA-N	1	0	352.523	1.565	20	30		FDEDRO
CC1(C)[C@H](NC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)[C@@H]2CCCO[C@@H]21	ZINC000262433779	672788911	/nfs/dbraw/zinc/78/89/11/672788911.db2.gz	STPGHQDRUGWMJA-HNKHHVNMSA-N	1	0	369.531	1.322	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(NC[C@H]2CCCS2)=[NH+]C2CCCC2)C1	ZINC000262449612	672791528	/nfs/dbraw/zinc/79/15/28/672791528.db2.gz	VRWJONYWLZTCHO-UKRRQHHQSA-N	1	0	359.561	1.795	20	30		FDEDRO
C[NH+]=C(NC[C@]1(O)CCSC1)N[C@H]1CCCN(c2cccc(F)c2)C1	ZINC000262456573	672792648	/nfs/dbraw/zinc/79/26/48/672792648.db2.gz	WVXONEJIOQAPRE-MAUKXSAKSA-N	1	0	366.506	1.828	20	30		FDEDRO
COC[C@@H]1CCN(C(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)C1	ZINC000262466370	672794383	/nfs/dbraw/zinc/79/43/83/672794383.db2.gz	YHYNXUOXGJFQKU-HUUCEWRRSA-N	1	0	357.520	1.278	20	30		FDEDRO
C[C@H]1CN(C(=[NH2+])NCCNC(=O)c2cccc(Br)c2)CCO1	ZINC000262475585	672795822	/nfs/dbraw/zinc/79/58/22/672795822.db2.gz	PYWNKFMKDBKMIT-NSHDSACASA-N	1	0	369.263	1.214	20	30		FDEDRO
O=S1(=O)CC[C@@H](CNC(NCc2ccc(Cl)cc2)=[NH+]C2CC2)C1	ZINC000262531159	672804049	/nfs/dbraw/zinc/80/40/49/672804049.db2.gz	IJNRJIPLHKZFSI-ZDUSSCGKSA-N	1	0	355.891	1.972	20	30		FDEDRO
CCC(O)(CC)CNC(=[NH+]C)N1CCS(=O)(=O)C2(CCCCC2)C1	ZINC000262766594	672845441	/nfs/dbraw/zinc/84/54/41/672845441.db2.gz	GGHFRDAFHDQDPS-UHFFFAOYSA-N	1	0	359.536	1.546	20	30		FDEDRO
C[NH+]=C(NCCN(C)CC(F)(F)F)N1CCC[C@@]2(CCCOC2)C1	ZINC000262767520	672845589	/nfs/dbraw/zinc/84/55/89/672845589.db2.gz	GPJKCZAVELTRPH-OAHLLOKOSA-N	1	0	350.429	1.949	20	30		FDEDRO
CCc1nc(CNC(N[C@@H]2CCCN(c3cnn(C)c3)C2)=[NH+]C)cs1	ZINC000262805501	672850868	/nfs/dbraw/zinc/85/08/68/672850868.db2.gz	SPSWPIWXVVWMNR-CYBMUJFWSA-N	1	0	361.519	1.773	20	30		FDEDRO
C[NH+]=C(NCCNS(=O)(=O)c1ccc(C)cc1)NC1CCCCC1	ZINC000262949138	672855436	/nfs/dbraw/zinc/85/54/36/672855436.db2.gz	BIFZSDBVMKOICT-UHFFFAOYSA-N	1	0	352.504	1.771	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)NCc1ccccc1)NCc1ccco1	ZINC000264034870	672899165	/nfs/dbraw/zinc/89/91/65/672899165.db2.gz	FYVRODPMJUMZOF-UHFFFAOYSA-N	1	0	350.444	1.064	20	30		FDEDRO
Cc1nc(CCNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)cs1	ZINC000264058054	672899294	/nfs/dbraw/zinc/89/92/94/672899294.db2.gz	BUWZHYDEBRYPCE-UHFFFAOYSA-N	1	0	353.492	1.861	20	30		FDEDRO
Cc1nccn1CCCNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000264066276	672899747	/nfs/dbraw/zinc/89/97/47/672899747.db2.gz	BFWZHSBVDQQIMB-UHFFFAOYSA-N	1	0	350.467	1.449	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCCS(=O)(=O)c2ccccc2)cc1	ZINC000264086366	672900712	/nfs/dbraw/zinc/90/07/12/672900712.db2.gz	JNXNPVFJYVRUHW-UHFFFAOYSA-N	1	0	361.467	1.616	20	30		FDEDRO
CN(C)[C@H](CNC(=[NH2+])NCCCN1CCOCC1)c1ccc(F)cc1	ZINC000264091581	672901077	/nfs/dbraw/zinc/90/10/77/672901077.db2.gz	LCBKPWSSUNDUIT-QGZVFWFLSA-N	1	0	351.470	1.055	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NCC1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000264132748	672902086	/nfs/dbraw/zinc/90/20/86/672902086.db2.gz	YLAMGGBBLBPQEA-CQSZACIVSA-N	1	0	368.503	1.027	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(C(=O)c2ccnc(SCC)c2)CC1	ZINC000264220907	672904296	/nfs/dbraw/zinc/90/42/96/672904296.db2.gz	YAKZQMOXKLFETI-UHFFFAOYSA-N	1	0	360.483	1.091	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCCNC(=O)C(C)(C)C)cc1OC	ZINC000264272288	672906573	/nfs/dbraw/zinc/90/65/73/672906573.db2.gz	LZKHESGURFSXIT-UHFFFAOYSA-N	1	0	350.463	1.313	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)CCOCCOC)c(OC)c1	ZINC000289012505	676083225	/nfs/dbraw/zinc/08/32/25/676083225.db2.gz	NFZCHCRHAGYVMN-KRWDZBQOSA-N	1	0	353.459	1.758	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2)C[C@H]1[NH+]1CCCC1	ZINC000289102468	676093953	/nfs/dbraw/zinc/09/39/53/676093953.db2.gz	HKCYJNYVXOBQJG-IAGOWNOFSA-N	1	0	365.524	1.900	20	30		FDEDRO
C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000266564299	673148330	/nfs/dbraw/zinc/14/83/30/673148330.db2.gz	NRCDNLSJRITXCC-UHFFFAOYSA-N	1	0	356.348	1.972	20	30		FDEDRO
CCC[N@H+](CC)CCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000266889455	673210234	/nfs/dbraw/zinc/21/02/34/673210234.db2.gz	DGTXDCHJYVSXFN-UHFFFAOYSA-N	1	0	366.487	1.340	20	30		FDEDRO
COC(=O)C[C@@H]1CSCC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1	ZINC000266961865	673224060	/nfs/dbraw/zinc/22/40/60/673224060.db2.gz	WVJNPIFUSFQMIW-CABCVRRESA-N	1	0	350.440	1.278	20	30		FDEDRO
CS(=O)(=O)CCOCCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1	ZINC000267448592	673305302	/nfs/dbraw/zinc/30/53/02/673305302.db2.gz	QQAJHMHHWZAPFA-UHFFFAOYSA-N	1	0	367.393	1.171	20	30		FDEDRO
COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)nc1	ZINC000289530858	676149102	/nfs/dbraw/zinc/14/91/02/676149102.db2.gz	LWLIAPJPHRWGCT-UHFFFAOYSA-N	1	0	352.460	1.075	20	30		FDEDRO
COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)cc1C#N	ZINC000289631390	676160774	/nfs/dbraw/zinc/16/07/74/676160774.db2.gz	RYSPNSFREOPZBZ-UHFFFAOYSA-N	1	0	369.462	1.819	20	30		FDEDRO
COC(=O)CC1([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CCCC1	ZINC000280370583	675413507	/nfs/dbraw/zinc/41/35/07/675413507.db2.gz	JKQHZKGACFXKRA-UHFFFAOYSA-N	1	0	350.440	1.797	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)C1=O	ZINC000280915848	675469839	/nfs/dbraw/zinc/46/98/39/675469839.db2.gz	CTMVYLLZTVGQNV-XJKSGUPXSA-N	1	0	351.472	1.374	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H](CO)[C@@H]1CCOC1)C(C)C	ZINC000281896224	675574604	/nfs/dbraw/zinc/57/46/04/675574604.db2.gz	FAJGXURDDPGIFJ-KZNAEPCWSA-N	1	0	353.507	1.629	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@](C)(C(=O)NC)C1)C(C)C	ZINC000281901416	675575489	/nfs/dbraw/zinc/57/54/89/675575489.db2.gz	FMPWLIJGTMQHCR-VQIMIIECSA-N	1	0	350.507	1.853	20	30		FDEDRO
Cc1cccc(CN(CC[NH+](C)C)S(=O)(=O)N(C)[C@H](C)CC#N)c1	ZINC000282420841	675628600	/nfs/dbraw/zinc/62/86/00/675628600.db2.gz	BNEMAGRTLMQEQE-MRXNPFEDSA-N	1	0	352.504	1.837	20	30		FDEDRO
C[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000282478268	675629651	/nfs/dbraw/zinc/62/96/51/675629651.db2.gz	XLALXZVUWQUOEF-JFIYKMOQSA-N	1	0	364.515	1.823	20	30		FDEDRO
Cc1ccccc1C[NH+]1CCC(NS(=O)(=O)N(C)C[C@@H](C)C#N)CC1	ZINC000282797629	675641466	/nfs/dbraw/zinc/64/14/66/675641466.db2.gz	JWRWEXNIXITGJX-HNNXBMFYSA-N	1	0	364.515	1.885	20	30		FDEDRO
C#CCN(C)C(=O)C(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1	ZINC000283721363	675660314	/nfs/dbraw/zinc/66/03/14/675660314.db2.gz	XMRWUKMUKKGAHX-UHFFFAOYSA-N	1	0	362.861	1.512	20	30		FDEDRO
C=CCSCCNC(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1cncn1C	ZINC000284648467	675736848	/nfs/dbraw/zinc/73/68/48/675736848.db2.gz	WOYBFCSRZPXDBA-RHSMWYFYSA-N	1	0	362.499	1.898	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](CC)CC	ZINC000284893539	675760298	/nfs/dbraw/zinc/76/02/98/675760298.db2.gz	HFSIGEQWYGQNMH-HNNXBMFYSA-N	1	0	351.447	1.488	20	30		FDEDRO
C[C@@H]1C[NH+]=C(NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)N1	ZINC000284923854	675765634	/nfs/dbraw/zinc/76/56/34/675765634.db2.gz	CAKRCFWRVPDSDT-SECBINFHSA-N	1	0	351.350	1.296	20	30		FDEDRO
CS(=O)(=O)N1CCC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1	ZINC000286015337	675861567	/nfs/dbraw/zinc/86/15/67/675861567.db2.gz	JKIXFDCOOUZZRC-QGZVFWFLSA-N	1	0	362.499	1.541	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc1	ZINC000286076307	675868841	/nfs/dbraw/zinc/86/88/41/675868841.db2.gz	MNJSSUPCGRNKTJ-DVOMOZLQSA-N	1	0	351.472	1.267	20	30		FDEDRO
C=C[C@H](CO)NC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000291192527	676248872	/nfs/dbraw/zinc/24/88/72/676248872.db2.gz	ICQQRIHDZQSFFD-UKRRQHHQSA-N	1	0	350.438	1.485	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(F)c(SC)c(F)c1	ZINC000293378902	676348151	/nfs/dbraw/zinc/34/81/51/676348151.db2.gz	MQRFSDIVTMTBNQ-UHFFFAOYSA-N	1	0	355.410	1.697	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1F	ZINC000293479041	676352637	/nfs/dbraw/zinc/35/26/37/676352637.db2.gz	RCUYOUOJVTYQFM-HIFRSBDPSA-N	1	0	367.446	1.114	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cnc1C(F)(F)F	ZINC000293722921	676362091	/nfs/dbraw/zinc/36/20/91/676362091.db2.gz	OKVDJNSKGGVZGI-ZDUSSCGKSA-N	1	0	356.348	1.549	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1	ZINC000293947285	676372002	/nfs/dbraw/zinc/37/20/02/676372002.db2.gz	JSOBLFBGRNEJNB-UHFFFAOYSA-N	1	0	358.410	1.297	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1	ZINC000298492833	676468820	/nfs/dbraw/zinc/46/88/20/676468820.db2.gz	XBOBGWRBYUWMEP-AWEZNQCLSA-N	1	0	363.483	1.365	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)NCCCC[NH+](CC)CC)cc1	ZINC000299619457	676538239	/nfs/dbraw/zinc/53/82/39/676538239.db2.gz	HLRUVZVVIYWFNL-UHFFFAOYSA-N	1	0	365.499	1.450	20	30		FDEDRO
CN(CCCNC(=[NH2+])NCCCN1CCOCC1)c1ccccc1F	ZINC000303877252	676543464	/nfs/dbraw/zinc/54/34/64/676543464.db2.gz	IKINFZFXGFGDNQ-UHFFFAOYSA-N	1	0	351.470	1.279	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NCC(=O)Nc1cc(Br)ccc1C	ZINC000303968979	676543977	/nfs/dbraw/zinc/54/39/77/676543977.db2.gz	BFSCVGZDWSIGAC-JTQLQIEISA-N	1	0	357.252	1.635	20	30		FDEDRO
[NH2+]=C(NCCNC(=O)c1ccn[nH]1)Nc1ccc(OC(F)(F)F)cc1	ZINC000305817926	676545233	/nfs/dbraw/zinc/54/52/33/676545233.db2.gz	ANTAVODIAKVHCC-UHFFFAOYSA-N	1	0	356.308	1.465	20	30		FDEDRO
CN(C)C(=[NH+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)N(C)C	ZINC000305720348	676545247	/nfs/dbraw/zinc/54/52/47/676545247.db2.gz	JKERUZIEBKLFPT-UHFFFAOYSA-N	1	0	367.393	1.838	20	30		FDEDRO
N#CCCCS(=O)(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000416615769	679691923	/nfs/dbraw/zinc/69/19/23/679691923.db2.gz	NOJXIGDIJNKZKC-UHFFFAOYSA-N	1	0	351.472	1.237	20	30		FDEDRO
C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)C1	ZINC000328721119	676603916	/nfs/dbraw/zinc/60/39/16/676603916.db2.gz	WPMHELCDCNWKAA-IKGGRYGDSA-N	1	0	353.507	1.790	20	30		FDEDRO
CS(=O)(=O)NC[C@H]1CCCCN1C(=O)NC1CC[NH+](CC2CC2)CC1	ZINC000328802689	676607665	/nfs/dbraw/zinc/60/76/65/676607665.db2.gz	GUTNECMAKYNWFE-MRXNPFEDSA-N	1	0	372.535	1.179	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1	ZINC000328850026	676609545	/nfs/dbraw/zinc/60/95/45/676609545.db2.gz	BKOGFJYPIFKVDB-XNRPHZJLSA-N	1	0	352.479	1.575	20	30		FDEDRO
O=C(C[C@@H]1NC(=O)NC1=O)NCC1(C[NH+]2CCOCC2)CCCCC1	ZINC000328931946	676612678	/nfs/dbraw/zinc/61/26/78/676612678.db2.gz	ICFLEPZPIATEBP-ZDUSSCGKSA-N	1	0	352.435	1.868	20	30		FDEDRO
CCN(CC)C(=O)N1CCN(C(=O)NCCC2CC[NH+](C)CC2)CC1	ZINC000329025727	676616568	/nfs/dbraw/zinc/61/65/68/676616568.db2.gz	VJQXBVACLIEGPW-UHFFFAOYSA-N	1	0	353.511	1.712	20	30		FDEDRO
CCS(=O)(=O)N1CCC[C@@H](C(=O)NC2CC[NH+](CC3CC3)CC2)C1	ZINC000329044592	676617387	/nfs/dbraw/zinc/61/73/87/676617387.db2.gz	ULHCOKPGFIMLHP-OAHLLOKOSA-N	1	0	357.520	1.879	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)nn1	ZINC000329048636	676617539	/nfs/dbraw/zinc/61/75/39/676617539.db2.gz	QNTIATRWRXSFLK-UHFFFAOYSA-N	1	0	350.467	1.616	20	30		FDEDRO
CS(=O)(=O)N1CCC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1	ZINC000329116729	676621026	/nfs/dbraw/zinc/62/10/26/676621026.db2.gz	NNFOLEQIQSBPMO-HOTGVXAUSA-N	1	0	372.535	1.275	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1	ZINC000329228353	676626949	/nfs/dbraw/zinc/62/69/49/676626949.db2.gz	IQJZPIIKKHVQDE-CABCVRRESA-N	1	0	372.535	1.321	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1	ZINC000329230673	676627010	/nfs/dbraw/zinc/62/70/10/676627010.db2.gz	DRGOYUFZXYDMCV-HRCADAONSA-N	1	0	353.463	1.224	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2sccc2-n2cnnn2)C1	ZINC000329282604	676630741	/nfs/dbraw/zinc/63/07/41/676630741.db2.gz	FJUCWYZEJCMNDI-GFCCVEGCSA-N	1	0	350.448	1.385	20	30		FDEDRO
CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1nc(CN2CCOCC2)cs1	ZINC000329286123	676630990	/nfs/dbraw/zinc/63/09/90/676630990.db2.gz	GSVFSJWONCBRQP-CQSZACIVSA-N	1	0	367.519	1.794	20	30		FDEDRO
C[C@@H]1CCC[N@H+](CCNC(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1	ZINC000329298261	676631811	/nfs/dbraw/zinc/63/18/11/676631811.db2.gz	UEUGLNXIFIGQSY-HUUCEWRRSA-N	1	0	372.535	1.179	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)CC[N@@H+]1C	ZINC000329307401	676632368	/nfs/dbraw/zinc/63/23/68/676632368.db2.gz	ZCLZWXLSGRJTJD-ZFRZLUBXSA-N	1	0	351.451	1.880	20	30		FDEDRO
CC(C)c1nc([C@@H]2COCCN2C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)no1	ZINC000329321795	676633026	/nfs/dbraw/zinc/63/30/26/676633026.db2.gz	JHPWCCPOXUIAJO-MJBXVCDLSA-N	1	0	351.451	1.963	20	30		FDEDRO
CCS(=O)(=O)N1CCC(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1	ZINC000329429596	676638321	/nfs/dbraw/zinc/63/83/21/676638321.db2.gz	HXPQZSOQDPTIAW-XYPWUTKMSA-N	1	0	372.535	1.272	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC[N@@H+]1C	ZINC000329730044	676652162	/nfs/dbraw/zinc/65/21/62/676652162.db2.gz	PJVAUYSMADQOKN-DOMZBBRYSA-N	1	0	351.472	1.915	20	30		FDEDRO
Cc1cc(NC(=O)[C@H](C)SCC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)no1	ZINC000329748056	676652694	/nfs/dbraw/zinc/65/26/94/676652694.db2.gz	ZUDQVHCHNDJPKY-KGYLQXTDSA-N	1	0	354.476	2.482	20	30		FDEDRO
COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)CC2	ZINC000329812024	676658240	/nfs/dbraw/zinc/65/82/40/676658240.db2.gz	CDBJEGQJTGVONS-MGPQQGTHSA-N	1	0	350.467	1.068	20	30		FDEDRO
CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[S@](=O)[C@H](C)[C@H]2C)CC1	ZINC000329818530	676658980	/nfs/dbraw/zinc/65/89/80/676658980.db2.gz	XFEDLOXRFVDAOX-DIXGESSZSA-N	1	0	358.552	1.015	20	30		FDEDRO
O=C(NC1CCN(Cc2ccncc2)CC1)[C@H]1CCCCS1(=O)=O	ZINC000330018400	676668834	/nfs/dbraw/zinc/66/88/34/676668834.db2.gz	SRWDLHNYVRQILR-MRXNPFEDSA-N	1	0	351.472	1.970	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)CCSC1	ZINC000330036630	676669624	/nfs/dbraw/zinc/66/96/24/676669624.db2.gz	CQFXVZJTIIECAA-CVEARBPZSA-N	1	0	354.476	1.305	20	30		FDEDRO
CC[C@@H]1CN(CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@]2(CCOC2)O1	ZINC000330085685	676671820	/nfs/dbraw/zinc/67/18/20/676671820.db2.gz	CZUHVENYMYFZMG-IEBWSBKVSA-N	1	0	351.491	1.840	20	30		FDEDRO
C[C@H](CNC(=O)N1CC(=O)N(CC(F)(F)F)C1)[N@@H+]1CCC[C@@H](C)C1	ZINC000330113880	676673315	/nfs/dbraw/zinc/67/33/15/676673315.db2.gz	DIKXCJWYPMRVTA-VXGBXAGGSA-N	1	0	350.385	1.685	20	30		FDEDRO
Cc1nnsc1CNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1	ZINC000330253804	676681391	/nfs/dbraw/zinc/68/13/91/676681391.db2.gz	JCKKINBHRCWJPB-UHFFFAOYSA-N	1	0	352.508	1.220	20	30		FDEDRO
CSC1(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCOCC1	ZINC000330328684	676684359	/nfs/dbraw/zinc/68/43/59/676684359.db2.gz	WCVBGFQEAZHKMR-HZPDHXFCSA-N	1	0	371.547	1.780	20	30		FDEDRO
CS[C@@H]1CN(C(=O)[C@H](NC(=O)c2ccccn2)C(C)C)C[C@@H]1[NH+](C)C	ZINC000330648058	676699581	/nfs/dbraw/zinc/69/95/81/676699581.db2.gz	HUHNWNLUAKEXPQ-ARFHVFGLSA-N	1	0	364.515	1.915	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)CC1	ZINC000330656245	676699877	/nfs/dbraw/zinc/69/98/77/676699877.db2.gz	QKOCMTDGHXOASC-MRXNPFEDSA-N	1	0	372.535	1.345	20	30		FDEDRO
CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)CC1	ZINC000330727281	676702282	/nfs/dbraw/zinc/70/22/82/676702282.db2.gz	FYVIOYHCYKRQCZ-HZPDHXFCSA-N	1	0	374.551	1.471	20	30		FDEDRO
C[C@H](NC(=O)Nc1ccccc1S(=O)(=O)N(C)C)C1=CC[N@H+](C)CC1	ZINC000330784012	676704050	/nfs/dbraw/zinc/70/40/50/676704050.db2.gz	JFRODUJYPNPKHU-ZDUSSCGKSA-N	1	0	366.487	1.913	20	30		FDEDRO
COc1ncnc(N(C)C)c1NC(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1	ZINC000330806151	676704776	/nfs/dbraw/zinc/70/47/76/676704776.db2.gz	HGTKZAMPMNYYSM-QWRGUYRKSA-N	1	0	354.480	1.074	20	30		FDEDRO
COc1ccc(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc1NS(C)(=O)=O	ZINC000330901890	676708787	/nfs/dbraw/zinc/70/87/87/676708787.db2.gz	XCPMTXCPLGMQFB-RYUDHWBXSA-N	1	0	370.475	1.637	20	30		FDEDRO
Cc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1S(=O)(=O)NCC#N	ZINC000330962184	676711252	/nfs/dbraw/zinc/71/12/52/676711252.db2.gz	GAVGSVAIMSGTNV-UHFFFAOYSA-N	1	0	350.444	1.196	20	30		FDEDRO
C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCCN1CCCCC1=O	ZINC000331214286	676722127	/nfs/dbraw/zinc/72/21/27/676722127.db2.gz	BGACEDDXSIFNPQ-HNNXBMFYSA-N	1	0	354.495	1.080	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCCC[C@@H]2C[C@H](C)O)CC1	ZINC000331301101	676726264	/nfs/dbraw/zinc/72/62/64/676726264.db2.gz	BYCZMRVJUIFTNE-RCCFBDPRSA-N	1	0	350.507	1.304	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1	ZINC000332235137	676737575	/nfs/dbraw/zinc/73/75/75/676737575.db2.gz	QREUXQWXRCJJBQ-DLBZAZTESA-N	1	0	364.515	1.919	20	30		FDEDRO
CC[C@@H](CNS(=O)(=O)N(C)C[C@@H](C)C#N)[N@@H+]1CCc2ccccc2C1	ZINC000332665049	676743836	/nfs/dbraw/zinc/74/38/36/676743836.db2.gz	FIPTVDAEYODRPR-YJBOKZPZSA-N	1	0	364.515	1.749	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000333892981	676771844	/nfs/dbraw/zinc/77/18/44/676771844.db2.gz	ZFJYJHUMFLFJKZ-MSOLQXFVSA-N	1	0	350.507	1.578	20	30		FDEDRO
Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1S(=O)(=O)NCC#N	ZINC000334042567	676775578	/nfs/dbraw/zinc/77/55/78/676775578.db2.gz	SLQRBGMGIGBJTI-HIFRSBDPSA-N	1	0	364.471	1.009	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1C[C@@H](CO)OC(C)(C)C1)C(C)C	ZINC000422168627	680695930	/nfs/dbraw/zinc/69/59/30/680695930.db2.gz	KORHAEQSNFSTOX-IRXDYDNUSA-N	1	0	353.507	1.866	20	30		FDEDRO
C[C@@H]1COCC[C@@H]1CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000367499397	677493060	/nfs/dbraw/zinc/49/30/60/677493060.db2.gz	CAOUIQXNEMGDDC-KFWWJZLASA-N	1	0	352.479	1.540	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)c1	ZINC000368594489	677500662	/nfs/dbraw/zinc/50/06/62/677500662.db2.gz	WQXVZOZIMMQVHY-YOEHRIQHSA-N	1	0	363.483	1.317	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CC(=O)N(c3ccccc3Cl)C2)CC1	ZINC000370878383	677625326	/nfs/dbraw/zinc/62/53/26/677625326.db2.gz	ZHHJCJDRJAGNBW-HNNXBMFYSA-N	1	0	359.857	1.907	20	30		FDEDRO
C=CC[C@@H](CO)NC(=O)NCCC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000371982458	677820888	/nfs/dbraw/zinc/82/08/88/677820888.db2.gz	APDKOFFJIYJHMD-KRWDZBQOSA-N	1	0	352.523	1.419	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CN(C(=O)C(C)(C)C)CCO2)CC1	ZINC000373111261	678028481	/nfs/dbraw/zinc/02/84/81/678028481.db2.gz	XTUIGYCQOFUMLJ-INIZCTEOSA-N	1	0	351.491	1.417	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC1CC[NH+](Cc2cccs2)CC1	ZINC000374402890	678078033	/nfs/dbraw/zinc/07/80/33/678078033.db2.gz	OILLONLEPCMCAM-ZDUSSCGKSA-N	1	0	356.517	1.638	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N[C@H]1CCC[N@@H+](C2CCCCC2)C1	ZINC000374454927	678081650	/nfs/dbraw/zinc/08/16/50/678081650.db2.gz	YJHSXPQYLZZVBF-INIZCTEOSA-N	1	0	372.535	1.480	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1	ZINC000374456201	678082005	/nfs/dbraw/zinc/08/20/05/678082005.db2.gz	JJBIFEOQHSDGPU-HNNXBMFYSA-N	1	0	365.503	1.566	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC([N@H+]2C[C@H](C)C[C@H](C)C2)CC1	ZINC000374458007	678082515	/nfs/dbraw/zinc/08/25/15/678082515.db2.gz	XTUPWPTYRWDSHC-OWCLPIDISA-N	1	0	356.536	1.765	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)CC1	ZINC000374655124	678089001	/nfs/dbraw/zinc/08/90/01/678089001.db2.gz	LRBSWVXANHCRKR-NVXWUHKLSA-N	1	0	351.491	1.504	20	30		FDEDRO
N#Cc1ccc(OCCC[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)cc1	ZINC000374822443	678092434	/nfs/dbraw/zinc/09/24/34/678092434.db2.gz	IBTDFOOWSIDYHD-UHFFFAOYSA-N	1	0	363.483	1.827	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@](CO)(C(C)C)C2)CC1	ZINC000377623495	678577052	/nfs/dbraw/zinc/57/70/52/678577052.db2.gz	FEXVZOHCZOEJNI-HKUYNNGSSA-N	1	0	350.507	1.019	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1	ZINC000378009387	678671016	/nfs/dbraw/zinc/67/10/16/678671016.db2.gz	IMPGZDREKUXGLN-VXGBXAGGSA-N	1	0	370.272	1.551	20	30		FDEDRO
CC[NH+](CC)[C@@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)c1ccccc1	ZINC000409533806	678855169	/nfs/dbraw/zinc/85/51/69/678855169.db2.gz	HSKPWIJZNDWROE-SJORKVTESA-N	1	0	366.487	1.128	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)NC1CC[NH+](CCOC(C)C)CC1	ZINC000410119437	678878854	/nfs/dbraw/zinc/87/88/54/678878854.db2.gz	DJCJCMJHWBAKMC-OAHLLOKOSA-N	1	0	360.524	1.192	20	30		FDEDRO
CCCS(=O)(=O)NC1CC[NH+](CCCC2(C#N)CCOCC2)CC1	ZINC000410319889	678890131	/nfs/dbraw/zinc/89/01/31/678890131.db2.gz	BGOSLPJTTNDYLV-UHFFFAOYSA-N	1	0	357.520	1.881	20	30		FDEDRO
COC(=O)CN1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000411562725	679049027	/nfs/dbraw/zinc/04/90/27/679049027.db2.gz	PEAOUBZDBXHULB-UHFFFAOYSA-N	1	0	364.833	1.331	20	30		FDEDRO
COC(=O)[C@@H]1CN(Cc2ccc(Br)cc2C#N)CC[N@H+](C)C1	ZINC000411910327	679093599	/nfs/dbraw/zinc/09/35/99/679093599.db2.gz	GIAZPTSJJQNRBQ-AWEZNQCLSA-N	1	0	366.259	1.857	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1	ZINC000411930722	679099751	/nfs/dbraw/zinc/09/97/51/679099751.db2.gz	HBCBDSHPTSAVBK-CQSZACIVSA-N	1	0	362.861	1.997	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000424085455	680829244	/nfs/dbraw/zinc/82/92/44/680829244.db2.gz	AWZFUKJNUJUSPZ-MRXNPFEDSA-N	1	0	364.471	1.108	20	30		FDEDRO
COC(=O)[C@H]1CSCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000412066438	679149845	/nfs/dbraw/zinc/14/98/45/679149845.db2.gz	DCEMGSLGIDHEFQ-CABCVRRESA-N	1	0	350.440	1.136	20	30		FDEDRO
CC(C)C[C@@H]([NH3+])c1noc(-c2ccc(S(=O)(=O)NCCC#N)cc2)n1	ZINC000414611283	679360366	/nfs/dbraw/zinc/36/03/66/679360366.db2.gz	CBWVAFYLEMHGIN-CQSZACIVSA-N	1	0	363.443	1.974	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1	ZINC000414896733	679373107	/nfs/dbraw/zinc/37/31/07/679373107.db2.gz	PTOJMJPPRBFSON-UONOGXRCSA-N	1	0	366.487	1.707	20	30		FDEDRO
C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)C1	ZINC000415292040	679403220	/nfs/dbraw/zinc/40/32/20/679403220.db2.gz	AVTAVVBSFOVTKQ-CYBMUJFWSA-N	1	0	355.423	1.441	20	30		FDEDRO
CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000415484367	679438129	/nfs/dbraw/zinc/43/81/29/679438129.db2.gz	OBLVVNNZDJUCIC-UHFFFAOYSA-N	1	0	367.247	1.703	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)NC(C)(C)C[NH3+])c(C#N)cn1CCOC	ZINC000415486714	679438653	/nfs/dbraw/zinc/43/86/53/679438653.db2.gz	JZIIICISDACGJN-UHFFFAOYSA-N	1	0	351.407	1.042	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1	ZINC000415557096	679450892	/nfs/dbraw/zinc/45/08/92/679450892.db2.gz	CVQPEZYGIAHJQD-MWLCHTKSSA-N	1	0	365.231	1.455	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000415586598	679459068	/nfs/dbraw/zinc/45/90/68/679459068.db2.gz	YGDYEUZTDRRBNL-MWLCHTKSSA-N	1	0	354.332	1.711	20	30		FDEDRO
CC(C)[C@](C)(C[NH3+])NC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1	ZINC000415598243	679461596	/nfs/dbraw/zinc/46/15/96/679461596.db2.gz	KJDVNDAGYXALTJ-WBMJQRKESA-N	1	0	352.460	1.867	20	30		FDEDRO
COC[C@]1(CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)CCC[NH2+]1	ZINC000415712785	679484197	/nfs/dbraw/zinc/48/41/97/679484197.db2.gz	VVITWNHBVYABDS-MRXNPFEDSA-N	1	0	350.806	1.035	20	30		FDEDRO
C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000415741101	679490299	/nfs/dbraw/zinc/49/02/99/679490299.db2.gz	KEDWNWHNIGQPCT-SNVBAGLBSA-N	1	0	354.357	1.732	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)N(CC[NH3+])CCO	ZINC000415798245	679505142	/nfs/dbraw/zinc/50/51/42/679505142.db2.gz	AHLUTSKLAJUREE-UHFFFAOYSA-N	1	0	358.236	1.799	20	30		FDEDRO
N#Cc1ccccc1N1CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1	ZINC000416014923	679544659	/nfs/dbraw/zinc/54/46/59/679544659.db2.gz	VSMRLFSFRXDEPS-AWEZNQCLSA-N	1	0	355.364	1.670	20	30		FDEDRO
C=C(C)[C@@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH2+]C)c1ccc(F)c(F)c1	ZINC000419679093	680318380	/nfs/dbraw/zinc/31/83/80/680318380.db2.gz	PFBLLSZQCOXFGF-CZUORRHYSA-N	1	0	351.397	1.909	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1	ZINC000419795135	680358187	/nfs/dbraw/zinc/35/81/87/680358187.db2.gz	IXHDMUNFKBJZSJ-UHFFFAOYSA-N	1	0	354.332	1.726	20	30		FDEDRO
C=CCn1cc(CNC(=O)NCC2([NH+]3CCSCC3)CCCC2)nn1	ZINC000425569323	680910421	/nfs/dbraw/zinc/91/04/21/680910421.db2.gz	YOAYCZIMXMIQSJ-UHFFFAOYSA-N	1	0	364.519	1.625	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1	ZINC000425861679	680937146	/nfs/dbraw/zinc/93/71/46/680937146.db2.gz	WDDWFBDTAOICNC-XSLAGTTESA-N	1	0	350.507	1.245	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(CS(C)(=O)=O)c1	ZINC000426542641	680960179	/nfs/dbraw/zinc/96/01/79/680960179.db2.gz	FOFONVQENNETPM-UHFFFAOYSA-N	1	0	366.487	1.930	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC(=O)N(C(C)C)C1)C(C)C	ZINC000428904946	681017579	/nfs/dbraw/zinc/01/75/79/681017579.db2.gz	IVAKHFWCGLQQOB-IAGOWNOFSA-N	1	0	350.507	1.994	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C1(CO)CCC1	ZINC000429249046	681028260	/nfs/dbraw/zinc/02/82/60/681028260.db2.gz	YRRKWSLPDVTPGS-OAHLLOKOSA-N	1	0	362.499	1.304	20	30		FDEDRO
CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]CCCOc1cccc(C#N)c1	ZINC000429705603	681044905	/nfs/dbraw/zinc/04/49/05/681044905.db2.gz	DANQOPCIUPUPMF-IRXDYDNUSA-N	1	0	351.472	1.777	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2[NH2+]CCCC2(C)C)c1	ZINC000430378233	681073857	/nfs/dbraw/zinc/07/38/57/681073857.db2.gz	KXHDAEZXZAJDJW-INIZCTEOSA-N	1	0	365.499	1.659	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)s1	ZINC000435426226	681592753	/nfs/dbraw/zinc/59/27/53/681592753.db2.gz	HBZJGXDZUJHMLY-CABCVRRESA-N	1	0	369.512	1.666	20	30		FDEDRO
COC(=O)C1CC[NH+](CCCNS(=O)(=O)c2ccc(C#N)s2)CC1	ZINC000435433133	681593336	/nfs/dbraw/zinc/59/33/36/681593336.db2.gz	QEDRJUFAUXZDEU-UHFFFAOYSA-N	1	0	371.484	1.173	20	30		FDEDRO
COC(=O)CC1([NH2+]CCOc2cccc(C#N)c2)CCS(=O)(=O)CC1	ZINC000439258526	681917681	/nfs/dbraw/zinc/91/76/81/681917681.db2.gz	LQBCCSDCXJQYAF-UHFFFAOYSA-N	1	0	366.439	1.037	20	30		FDEDRO
COC(=O)CC1([NH2+]CCOc2ccccc2C#N)CCS(=O)(=O)CC1	ZINC000439264796	681919034	/nfs/dbraw/zinc/91/90/34/681919034.db2.gz	HKNFYMNDPKWLNQ-UHFFFAOYSA-N	1	0	366.439	1.037	20	30		FDEDRO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+](CCO)C2CCC2)CC1	ZINC000439271113	681919645	/nfs/dbraw/zinc/91/96/45/681919645.db2.gz	IIMAHQAATWDGDX-INIZCTEOSA-N	1	0	362.499	1.304	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N(CCC)[C@H]2CC[NH2+]C2)c1	ZINC000440332705	681986728	/nfs/dbraw/zinc/98/67/28/681986728.db2.gz	ADPDCAQYTHHILO-HNNXBMFYSA-N	1	0	351.472	1.365	20	30		FDEDRO
C=C[C@H](C)NC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C	ZINC000474911987	685547555	/nfs/dbraw/zinc/54/75/55/685547555.db2.gz	AUHRRWIVLKXWGP-AWEZNQCLSA-N	1	0	353.488	1.529	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCCC(C)(C)[C@@H]2C#N)C1	ZINC000444718495	682422316	/nfs/dbraw/zinc/42/23/16/682422316.db2.gz	KSZNVNNBIKHSMZ-IRXDYDNUSA-N	1	0	350.507	1.474	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c1	ZINC000449640537	682693250	/nfs/dbraw/zinc/69/32/50/682693250.db2.gz	SHUNISJMYRBVMA-UKRRQHHQSA-N	1	0	351.472	1.398	20	30		FDEDRO
C=CCC[C@H](CO)[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000449701772	682701899	/nfs/dbraw/zinc/70/18/99/682701899.db2.gz	XJMMMSNZNKMBMO-MRXNPFEDSA-N	1	0	368.499	1.765	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CNC(=O)COc2ccc(C#N)c(Br)c2)C1	ZINC000449789245	682711880	/nfs/dbraw/zinc/71/18/80/682711880.db2.gz	FMJMNCUVWFMDBH-NSHDSACASA-N	1	0	352.232	1.767	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)CC2(CC#N)CC2)[C@@H](C)C1	ZINC000451207060	682840388	/nfs/dbraw/zinc/84/03/88/682840388.db2.gz	ITBJXFITZUVREG-JKSUJKDBSA-N	1	0	357.520	1.737	20	30		FDEDRO
C[C@@H]1[C@H]([N@H+](C)CCO)CCN1S(=O)(=O)c1ccc(CC#N)cc1Cl	ZINC000451579661	682903107	/nfs/dbraw/zinc/90/31/07/682903107.db2.gz	LDJHEZKXOZQKSR-IUODEOHRSA-N	1	0	371.890	1.482	20	30		FDEDRO
COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000451587703	682904009	/nfs/dbraw/zinc/90/40/09/682904009.db2.gz	CJQHBRYDQXBYKV-KGLIPLIRSA-N	1	0	351.428	1.048	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1	ZINC000451607711	682905482	/nfs/dbraw/zinc/90/54/82/682905482.db2.gz	QFSGZWVVHCVEFQ-CABCVRRESA-N	1	0	367.471	1.117	20	30		FDEDRO
N#Cc1ncc(NC(=O)C(=O)NCCC[NH+]2CCCCCC2)cc1Cl	ZINC000453583585	683166696	/nfs/dbraw/zinc/16/66/96/683166696.db2.gz	UZVZRAGVSJVOQD-UHFFFAOYSA-N	1	0	363.849	1.927	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cnc(C#N)c(Cl)c3)CC[C@H]21	ZINC000453680291	683184356	/nfs/dbraw/zinc/18/43/56/683184356.db2.gz	VJGFUGBZTKCLRF-XHDPSFHLSA-N	1	0	361.833	1.488	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(CC#N)cc3Cl)[C@@H]2C1	ZINC000453705287	683191405	/nfs/dbraw/zinc/19/14/05/683191405.db2.gz	UTFPRSWQPYLNKV-CZUORRHYSA-N	1	0	360.845	1.897	20	30		FDEDRO
CC(C)c1ncsc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000453710624	683192835	/nfs/dbraw/zinc/19/28/35/683192835.db2.gz	PGDOYDSOJYPAPF-UHFFFAOYSA-N	1	0	351.476	1.899	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCCCC[N@@H+](C)C2CC2)c1	ZINC000457189569	683730112	/nfs/dbraw/zinc/73/01/12/683730112.db2.gz	UJLXXFDKJBVBQX-UHFFFAOYSA-N	1	0	365.499	1.755	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1	ZINC000459827347	684464761	/nfs/dbraw/zinc/46/47/61/684464761.db2.gz	YFCKFMNONUMOGV-KRWDZBQOSA-N	1	0	350.507	1.040	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1	ZINC000462887051	684665663	/nfs/dbraw/zinc/66/56/63/684665663.db2.gz	HYPNJOBOFBADST-DLBZAZTESA-N	1	0	363.483	1.269	20	30		FDEDRO
CC[N@@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C[C@H](C)OC	ZINC000463425403	684690426	/nfs/dbraw/zinc/69/04/26/684690426.db2.gz	JCYYEQQDULGGGT-JKSUJKDBSA-N	1	0	364.515	1.814	20	30		FDEDRO
CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(C#N)cc1OC	ZINC000464192896	684727146	/nfs/dbraw/zinc/72/71/46/684727146.db2.gz	NEKSWRKSYSLHKN-CQSZACIVSA-N	1	0	355.460	1.202	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1	ZINC000464195072	684727460	/nfs/dbraw/zinc/72/74/60/684727460.db2.gz	OZWMIMYWUKBQIA-GXTWGEPZSA-N	1	0	355.485	1.233	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1CCC(OCC[NH+](C)C)CC1	ZINC000464417369	684742879	/nfs/dbraw/zinc/74/28/79/684742879.db2.gz	CLQXUSSITKTUJD-UHFFFAOYSA-N	1	0	367.471	1.298	20	30		FDEDRO
C=CC[NH+]1CCC(Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CC1	ZINC000477129876	685819651	/nfs/dbraw/zinc/81/96/51/685819651.db2.gz	UYHBZRQFXXXWIT-UHFFFAOYSA-N	1	0	368.459	1.907	20	30		FDEDRO
C[C@@H]1C[N@@H+](CC2CCN(S(=O)(=O)CC3(C#N)CCC3)CC2)C[C@H](C)O1	ZINC000477540826	685863488	/nfs/dbraw/zinc/86/34/88/685863488.db2.gz	VYWSPZMEWRAMBE-IYBDPMFKSA-N	1	0	369.531	1.831	20	30		FDEDRO
C=CCCS(=O)(=O)N1CCC(C(=O)NCCC[NH+](CC)CC)CC1	ZINC000480927829	686259296	/nfs/dbraw/zinc/25/92/96/686259296.db2.gz	CZALAQLLOFCMCC-UHFFFAOYSA-N	1	0	359.536	1.452	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1	ZINC000483091709	686467889	/nfs/dbraw/zinc/46/78/89/686467889.db2.gz	VSRLMOHLLYZQCF-WBVHZDCISA-N	1	0	361.511	1.974	20	30		FDEDRO
C[C@@H]1OCC[C@@H]1[N@H+](CCO)CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000483282539	686484660	/nfs/dbraw/zinc/48/46/60/686484660.db2.gz	PGOHEBGFEAFVSD-WFASDCNBSA-N	1	0	363.483	1.909	20	30		FDEDRO
CC[N@H+](CCNC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1)C1CC1	ZINC000483439693	686507610	/nfs/dbraw/zinc/50/76/10/686507610.db2.gz	BODZTBIZULNFSN-ZDUSSCGKSA-N	1	0	364.471	1.978	20	30		FDEDRO
CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)c2ccc(C#N)c(F)c2)CC1	ZINC000489441058	687098975	/nfs/dbraw/zinc/09/89/75/687098975.db2.gz	CVFWVHWABFBWOF-AWEZNQCLSA-N	1	0	355.435	1.068	20	30		FDEDRO
C[NH+](C)CCOC1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1	ZINC000489600740	687107025	/nfs/dbraw/zinc/10/70/25/687107025.db2.gz	PYWUJQRZCPQDRL-UHFFFAOYSA-N	1	0	355.435	1.429	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN([C@@H]2CC[NH2+]C2)CC1	ZINC000489909133	687121468	/nfs/dbraw/zinc/12/14/68/687121468.db2.gz	STDNMRHAYOXHSB-DLBZAZTESA-N	1	0	362.543	1.631	20	30		FDEDRO
CCC[C@@H]1CN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC[N@@H+]1CCOC	ZINC000501806556	688216328	/nfs/dbraw/zinc/21/63/28/688216328.db2.gz	RYONPXXVEGOGEP-ZHALLVOQSA-N	1	0	352.523	1.862	20	30		FDEDRO
C=C(C)CC[NH+]1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1	ZINC000509327642	689258833	/nfs/dbraw/zinc/25/88/33/689258833.db2.gz	MBZYHEHPRFYSLD-UHFFFAOYSA-N	1	0	351.516	1.857	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(OCC[NH+]2CCCC2)CC1	ZINC000510321352	689367888	/nfs/dbraw/zinc/36/78/88/689367888.db2.gz	GSSYXFFPKSFTIG-OAHLLOKOSA-N	1	0	358.508	1.042	20	30		FDEDRO
C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000512197574	689594246	/nfs/dbraw/zinc/59/42/46/689594246.db2.gz	SSSXZQUTAMYMOV-AWEZNQCLSA-N	1	0	350.375	1.316	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1	ZINC000517226749	690046700	/nfs/dbraw/zinc/04/67/00/690046700.db2.gz	WVTVPEFKSVXHMJ-DZGCQCFKSA-N	1	0	364.427	1.762	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C[NH+](CC)CC)cc1	ZINC000520622772	690342095	/nfs/dbraw/zinc/34/20/95/690342095.db2.gz	ATDDBOGZNFHKSI-CQSZACIVSA-N	1	0	353.488	1.611	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]CCc2cnc(C3CC3)nc2)c1	ZINC000521610933	694413858	/nfs/dbraw/zinc/41/38/58/694413858.db2.gz	BXMQMAUAJVYWBQ-UHFFFAOYSA-N	1	0	356.451	1.832	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2cccc(S(=O)(=O)NC)c2)CC1	ZINC000521654559	694421401	/nfs/dbraw/zinc/42/14/01/694421401.db2.gz	LWCAYQMCFHGYDH-UHFFFAOYSA-N	1	0	352.460	1.367	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCC[N@H+]2CC[C@@H](C)C2)cc1	ZINC000525805151	694636802	/nfs/dbraw/zinc/63/68/02/694636802.db2.gz	UDLPEDCXBZQZPI-CQSZACIVSA-N	1	0	351.472	1.223	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1	ZINC000531844966	694852784	/nfs/dbraw/zinc/85/27/84/694852784.db2.gz	WIQNTEOTVHVJQU-LBPRGKRZSA-N	1	0	362.396	1.385	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1NC[C@H]1CCC[N@H+]1CCCO	ZINC000641615268	696171081	/nfs/dbraw/zinc/17/10/81/696171081.db2.gz	JXFIEFZIOVNIPZ-OAHLLOKOSA-N	1	0	353.488	1.410	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2	ZINC000641621595	696173381	/nfs/dbraw/zinc/17/33/81/696173381.db2.gz	SAYJYELWAJFXNU-GASCZTMLSA-N	1	0	351.472	1.426	20	30		FDEDRO
N#CCc1ccc(OCc2ccc(N3CCN4CC[NH2+]C[C@@H]4C3)nc2)cc1	ZINC001164408520	718840576	/nfs/dbraw/zinc/84/05/76/718840576.db2.gz	ZQVNVJDPQXOVQZ-LJQANCHMSA-N	1	0	363.465	1.820	20	30		FDEDRO
N#Cc1cccc(Oc2nc(Cl)ncc2N2CCN3CC[NH2+]C[C@@H]3C2)c1	ZINC001164400320	718843456	/nfs/dbraw/zinc/84/34/56/718843456.db2.gz	WIUOVYITFOBIRT-CQSZACIVSA-N	1	0	370.844	1.888	20	30		FDEDRO
N#Cc1cccc(Oc2nc(Cl)ncc2N2CCN3CC[NH2+]C[C@H]3C2)c1	ZINC001164400319	718843541	/nfs/dbraw/zinc/84/35/41/718843541.db2.gz	WIUOVYITFOBIRT-AWEZNQCLSA-N	1	0	370.844	1.888	20	30		FDEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(c1ncnc3[nH]cc(C#N)c31)CC2	ZINC001164688211	719697189	/nfs/dbraw/zinc/69/71/89/719697189.db2.gz	XSEZNXHHGCITFV-UHFFFAOYSA-N	1	0	353.430	1.010	20	30		FDEDRO
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nccc(F)c1C#N)CCC2	ZINC001164813527	720226731	/nfs/dbraw/zinc/22/67/31/720226731.db2.gz	NOQRCGWSSRBRCF-UHFFFAOYSA-N	1	0	370.432	1.900	20	30		FDEDRO
Cc1nc(C#N)cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1	ZINC001164821784	720353076	/nfs/dbraw/zinc/35/30/76/720353076.db2.gz	BWSIOQLYKIHOJZ-QZTJIDSGSA-N	1	0	368.485	1.568	20	30		FDEDRO
N#Cc1cc(Cl)nnc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164741727	720654770	/nfs/dbraw/zinc/65/47/70/720654770.db2.gz	MECXWFPKFJJKKQ-CHWSQXEVSA-N	1	0	357.805	1.134	20	30		FDEDRO
N#Cc1cc(Cl)cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1	ZINC001164743192	720675991	/nfs/dbraw/zinc/67/59/91/720675991.db2.gz	WWXXSDWOBVXKTA-HUUCEWRRSA-N	1	0	356.817	1.739	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C#N)ccc3[N+](=O)[O-])CC[C@H]2C1	ZINC001164856717	720853960	/nfs/dbraw/zinc/85/39/60/720853960.db2.gz	PALCNYNVTXVUSW-XJKSGUPXSA-N	1	0	361.402	1.035	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3ccc4c(C#N)c[nH]c4n3)CC[C@@H]2C1	ZINC001164851530	720860514	/nfs/dbraw/zinc/86/05/14/720860514.db2.gz	ANDFXOUJAGNOJT-PBHICJAKSA-N	1	0	355.442	1.608	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3ncc(Cl)cc3C#N)CC[C@@H]2C1	ZINC001164856866	720868189	/nfs/dbraw/zinc/86/81/89/720868189.db2.gz	PRQDWEVNGWKOCZ-CZUORRHYSA-N	1	0	350.850	1.780	20	30		FDEDRO
N#Cc1ncc(Cl)nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164867779	721063891	/nfs/dbraw/zinc/06/38/91/721063891.db2.gz	KJZICAAVOMEHTQ-GJZGRUSLSA-N	1	0	370.844	1.876	20	30		FDEDRO
N#Cc1cc(Cl)nnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164871962	721065409	/nfs/dbraw/zinc/06/54/09/721065409.db2.gz	ZYJXDXJYZCXHSY-CVEARBPZSA-N	1	0	370.844	1.876	20	30		FDEDRO
CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncc(C#N)cc4F)C3)O2)CC1	ZINC001164890805	721425274	/nfs/dbraw/zinc/42/52/74/721425274.db2.gz	FWWACGNVRZTZDO-PXNSSMCTSA-N	1	0	373.476	1.858	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3nc4cc[nH]cc-4n3)[C@H]2C1	ZINC001083243244	782367355	/nfs/dbraw/zinc/36/73/55/782367355.db2.gz	RJZHUHARRFMIRH-ZWKOTPCHSA-N	1	0	369.469	1.768	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)C[N@H+]4CC[C@H](C)C4)[C@@H]3C2)cn1	ZINC001022719810	782585483	/nfs/dbraw/zinc/58/54/83/782585483.db2.gz	BRLPBZAQRJOXGC-VDZJLULYSA-N	1	0	366.465	1.078	20	30		FDEDRO
CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000784897058	768822157	/nfs/dbraw/zinc/82/21/57/768822157.db2.gz	UGJDOPPNIXRETO-UHFFFAOYSA-N	1	0	350.394	1.467	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2sccc2Cl)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104223377	769078394	/nfs/dbraw/zinc/07/83/94/769078394.db2.gz	ZVUSHWYXKZDHCO-VXGBXAGGSA-N	1	0	368.890	1.729	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@]3(C)c3ccccc3)C2)C1=O	ZINC001020411889	769277597	/nfs/dbraw/zinc/27/75/97/769277597.db2.gz	GOZOZXUFTQOJBK-NJCLPOECSA-N	1	0	367.493	1.988	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1	ZINC001020422845	769406482	/nfs/dbraw/zinc/40/64/82/769406482.db2.gz	GARWSASAIACRTO-VPAKFMSCSA-N	1	0	355.438	1.347	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC(F)F)C2	ZINC001112473035	769478792	/nfs/dbraw/zinc/47/87/92/769478792.db2.gz	UEQUGTUOAIXMHC-DEYYWGMASA-N	1	0	357.445	1.941	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1	ZINC000969223964	769482664	/nfs/dbraw/zinc/48/26/64/769482664.db2.gz	YAXVKZTVMWEPAQ-CVEARBPZSA-N	1	0	356.426	1.238	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1	ZINC000728189522	769854041	/nfs/dbraw/zinc/85/40/41/769854041.db2.gz	NUOPTHHOKCCCMY-CEXWTWQISA-N	1	0	354.454	1.506	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCc3ccccc3NC2=O)C1	ZINC001022737125	782799982	/nfs/dbraw/zinc/79/99/82/782799982.db2.gz	QDIFGURTBRMFCE-DARIXABFSA-N	1	0	369.465	1.768	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)C2CCCC2)C[C@H]1C	ZINC001104225665	770371750	/nfs/dbraw/zinc/37/17/50/770371750.db2.gz	YNAYTLIUEATFKO-SJLPKXTDSA-N	1	0	365.518	1.570	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)NC(=O)CC(F)(F)F)C[C@H]1C	ZINC001104227354	770506894	/nfs/dbraw/zinc/50/68/94/770506894.db2.gz	UUONHVIIAMGWEH-HZSPNIEDSA-N	1	0	361.408	1.541	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2ncoc2C)C[C@H]1c1ccccc1	ZINC001211545735	782855608	/nfs/dbraw/zinc/85/56/08/782855608.db2.gz	GJXKWZVOVHKCIH-ZWKOTPCHSA-N	1	0	353.422	1.831	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(=O)[nH]c(C3CC3)n2)C1	ZINC001020604623	770982053	/nfs/dbraw/zinc/98/20/53/770982053.db2.gz	HFRKVBGZSXEAFQ-XOUADPBQSA-N	1	0	358.442	1.388	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCCC[C@@H]2CC)C1	ZINC001020605475	770987365	/nfs/dbraw/zinc/98/73/65/770987365.db2.gz	JVVCZEMNDOERLI-TXTZMMAHSA-N	1	0	363.502	1.605	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1	ZINC000969969300	771135683	/nfs/dbraw/zinc/13/56/83/771135683.db2.gz	CHILJEVUEHCWAZ-OAGGEKHMSA-N	1	0	358.417	1.112	20	30		FDEDRO
C[NH2+]Cc1c(C)nn(-c2nccnc2[C@@H](C#N)C(=O)OC(C)(C)C)c1C	ZINC001167099172	771163809	/nfs/dbraw/zinc/16/38/09/771163809.db2.gz	UYAQUCKPVNKXFP-CYBMUJFWSA-N	1	0	356.430	1.947	20	30		FDEDRO
C[C@H](C(=O)N[C@H]1c2ccccc2CC[C@H]1[NH+]1CCCC1)n1cnc(C#N)n1	ZINC000892264499	782917390	/nfs/dbraw/zinc/91/73/90/782917390.db2.gz	DSCKGDYORVQOIM-BJZITVGISA-N	1	0	364.453	1.979	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1	ZINC000970145998	771524706	/nfs/dbraw/zinc/52/47/06/771524706.db2.gz	ZWKLWJFQXTWOJH-ZRGWGRIASA-N	1	0	363.458	1.245	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccnn2C(F)F)C[C@H]1C	ZINC001104238510	771564277	/nfs/dbraw/zinc/56/42/77/771564277.db2.gz	HMJPZPVATRINBD-ZIAGYGMSSA-N	1	0	354.401	1.616	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1CC[NH2+]Cc1cc(C#N)ccc1F	ZINC001104241145	771638012	/nfs/dbraw/zinc/63/80/12/771638012.db2.gz	MRPUSTLDMVSVQZ-GDBMZVCRSA-N	1	0	370.432	1.563	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cnc(C)cn2)C1=O	ZINC001087114067	771670587	/nfs/dbraw/zinc/67/05/87/771670587.db2.gz	WUNPEGRPFPASEB-PVAVHDDUSA-N	1	0	371.485	1.402	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)c4cccs4)[C@@H]3C2)CC1	ZINC001020992907	771792877	/nfs/dbraw/zinc/79/28/77/771792877.db2.gz	PPRSLQBYNJUVLU-DLBZAZTESA-N	1	0	371.506	1.766	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NCCCOC)C1	ZINC001104249999	771997932	/nfs/dbraw/zinc/99/79/32/771997932.db2.gz	NUOLGTGYWKCLAH-KZNAEPCWSA-N	1	0	367.534	1.958	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cnc(Cl)n2C)C[C@H]1C	ZINC001104417428	782973622	/nfs/dbraw/zinc/97/36/22/782973622.db2.gz	OLAVEPXNKHGLRY-ZIAGYGMSSA-N	1	0	354.882	1.964	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@@H]2O)CC1	ZINC000970328800	772353388	/nfs/dbraw/zinc/35/33/88/772353388.db2.gz	HUQXKGRVMAOAOR-OWLYRPNTSA-N	1	0	363.502	1.151	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@@H]2O)CC1	ZINC000970335056	772384446	/nfs/dbraw/zinc/38/44/46/772384446.db2.gz	FCMPOOOLECIEAK-MLHJIOFPSA-N	1	0	363.502	1.151	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cn(C)nn2)C1)OCC	ZINC001104255299	772415033	/nfs/dbraw/zinc/41/50/33/772415033.db2.gz	BGOLLTFTMWBGBD-NUJGCVRESA-N	1	0	363.506	1.761	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnnn2C)C1)OCC	ZINC001104255435	772442389	/nfs/dbraw/zinc/44/23/89/772442389.db2.gz	UGFQCJDIRHNNQM-JFIYKMOQSA-N	1	0	363.506	1.761	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(=O)c2cccs2)C[C@H]1C	ZINC001104257990	772461698	/nfs/dbraw/zinc/46/16/98/772461698.db2.gz	NABPWQIHSBRUKS-HZPDHXFCSA-N	1	0	361.511	1.918	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N(CCC)[C@@H]1CC[N@H+](C)C1	ZINC000647031747	772465926	/nfs/dbraw/zinc/46/59/26/772465926.db2.gz	ZWPJOVVJUXHJKV-QGZVFWFLSA-N	1	0	359.470	1.810	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC(F)(F)C2)C[C@H]1C	ZINC001104271713	772697741	/nfs/dbraw/zinc/69/77/41/772697741.db2.gz	CYUYEPJCAVDILG-QLFBSQMISA-N	1	0	355.429	1.245	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(C(N)=O)cc2)C1	ZINC000970569909	772983914	/nfs/dbraw/zinc/98/39/14/772983914.db2.gz	FAFYOGRJSNJDST-JVPBZIDWSA-N	1	0	371.481	1.703	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCc2cnn(CC)c2)C1	ZINC000970571258	772988760	/nfs/dbraw/zinc/98/87/60/772988760.db2.gz	IVEHOCLYRPMBKK-MNEFBYGVSA-N	1	0	360.502	1.863	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1	ZINC000970656714	773202568	/nfs/dbraw/zinc/20/25/68/773202568.db2.gz	WYZHVRWMRNMUJN-ZRGWGRIASA-N	1	0	351.491	1.009	20	30		FDEDRO
CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N(C)C[C@@H](C)C#N)c2)CC1	ZINC000275706715	773250374	/nfs/dbraw/zinc/25/03/74/773250374.db2.gz	PHWMJMBDNDPGRM-HNNXBMFYSA-N	1	0	357.458	1.385	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1	ZINC001021415191	773256954	/nfs/dbraw/zinc/25/69/54/773256954.db2.gz	KAZABUJNBUDQRR-BMGDILEWSA-N	1	0	369.469	1.434	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1	ZINC001021426374	773307495	/nfs/dbraw/zinc/30/74/95/773307495.db2.gz	QUAAZMSYIOACTF-JCGIZDLHSA-N	1	0	369.469	1.434	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1	ZINC001021429143	773311266	/nfs/dbraw/zinc/31/12/66/773311266.db2.gz	GPAPWZLKJMTRAT-JCGIZDLHSA-N	1	0	369.469	1.434	20	30		FDEDRO
O=C(CC[NH+]1CCN(c2ccccn2)CC1)NCC#C[C@@H]1CCCCO1	ZINC000891119729	773326734	/nfs/dbraw/zinc/32/67/34/773326734.db2.gz	SDGUEIPYPYZEKE-SFHVURJKSA-N	1	0	356.470	1.282	20	30		FDEDRO
C[NH+]1CCN(Cc2cccc(C(=O)NCC#C[C@H]3CCCCO3)c2)CC1	ZINC000891118746	773328441	/nfs/dbraw/zinc/32/84/41/773328441.db2.gz	HZMJHMPTHGZFPK-HXUWFJFHSA-N	1	0	355.482	1.736	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3cccc(Cl)c3F)[C@H]2C1	ZINC001083204973	773350836	/nfs/dbraw/zinc/35/08/36/773350836.db2.gz	LOEOACXONLOCRX-JKSUJKDBSA-N	1	0	350.821	1.957	20	30		FDEDRO
O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cnc2ccccn2c1=O	ZINC000329084902	783106909	/nfs/dbraw/zinc/10/69/09/783106909.db2.gz	FZKMTHFLNBMXMW-UHFFFAOYSA-N	1	0	356.426	1.644	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](Cn2cccn2)N(C)C)C[C@H]1C	ZINC001104289987	773663607	/nfs/dbraw/zinc/66/36/07/773663607.db2.gz	VYJFWPYWWXIXPH-OIISXLGYSA-N	1	0	367.925	1.640	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CCCS1(=O)=O)C2	ZINC001112493844	773925714	/nfs/dbraw/zinc/92/57/14/773925714.db2.gz	HOVCUCIWADWGSB-BQFCYCMXSA-N	1	0	352.500	1.195	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnn3ccncc23)C[C@H]1C	ZINC001104295796	773982294	/nfs/dbraw/zinc/98/22/94/773982294.db2.gz	QOHOPDFOWUEMII-HZPDHXFCSA-N	1	0	355.442	1.067	20	30		FDEDRO
N#Cc1ccc(F)c(CN2C[C@H]3OCCN(C(=O)Cc4cnc[nH]4)[C@H]3C2)c1	ZINC001083207618	774003656	/nfs/dbraw/zinc/00/36/56/774003656.db2.gz	GCFULLUURABJMZ-ZWKOTPCHSA-N	1	0	369.400	1.075	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]21	ZINC001021590875	774119762	/nfs/dbraw/zinc/11/97/62/774119762.db2.gz	KRQLZRGXLZLIIQ-VQTJNVASSA-N	1	0	369.509	1.581	20	30		FDEDRO
CC(C)[C@H](C(=O)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1)[NH+]1CCCCC1	ZINC001021592509	774130161	/nfs/dbraw/zinc/13/01/61/774130161.db2.gz	FSSVJRGDRFMBRB-QKNQBKEWSA-N	1	0	371.525	1.970	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)COC(C)C)C[C@H]1c1ccccc1	ZINC001211551403	783156925	/nfs/dbraw/zinc/15/69/25/783156925.db2.gz	NBYQPBFFPVSWSN-NZSAHSFTSA-N	1	0	371.481	1.134	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000275871286	774194816	/nfs/dbraw/zinc/19/48/16/774194816.db2.gz	NGZGRSMFGKICGJ-UHFFFAOYSA-N	1	0	357.414	1.199	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC1(C[NH2+]Cc2cn(C)nn2)CC1	ZINC001167422252	774561601	/nfs/dbraw/zinc/56/16/01/774561601.db2.gz	MDDROYAYWQPMQP-IRXDYDNUSA-N	1	0	361.490	1.563	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1csnn1)C2	ZINC001112498668	774575465	/nfs/dbraw/zinc/57/54/65/774575465.db2.gz	XMYSWXNEDDGEJT-DCGLDWPTSA-N	1	0	363.487	1.061	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)cc1	ZINC001021701709	774677719	/nfs/dbraw/zinc/67/77/19/774677719.db2.gz	DIDACYFRSGXLKG-IPMKNSEASA-N	1	0	351.450	1.293	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cccc(OCC#N)c2)C1	ZINC000785026516	774703329	/nfs/dbraw/zinc/70/33/29/774703329.db2.gz	FPWWEBZBLVAFFQ-WMLDXEAASA-N	1	0	356.426	1.470	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)OC3(CCCCC3)C2)CC1	ZINC000656311853	774904561	/nfs/dbraw/zinc/90/45/61/774904561.db2.gz	PKGOCUGWWMRAHI-MRXNPFEDSA-N	1	0	363.502	1.703	20	30		FDEDRO
CC(C)N1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cc(C#N)c[nH]2)C1=O	ZINC001087144071	775228436	/nfs/dbraw/zinc/22/84/36/775228436.db2.gz	XNHMBLSCLWPOQQ-PVAVHDDUSA-N	1	0	371.485	1.726	20	30		FDEDRO
C#CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000376705364	790341518	/nfs/dbraw/zinc/34/15/18/790341518.db2.gz	FEDCSICFAWVJAL-LJQANCHMSA-N	1	0	354.498	2.000	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCCCS(N)(=O)=O)C1	ZINC001211509128	775388741	/nfs/dbraw/zinc/38/87/41/775388741.db2.gz	ZRLINSPJWKTXNS-BZUAXINKSA-N	1	0	359.536	1.627	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1	ZINC000276070404	775660545	/nfs/dbraw/zinc/66/05/45/775660545.db2.gz	LKWWAEKAKHMYIK-CYBMUJFWSA-N	1	0	359.401	1.543	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21	ZINC001021798682	775695726	/nfs/dbraw/zinc/69/57/26/775695726.db2.gz	OHMQDINTRNYVDV-MLHJIOFPSA-N	1	0	373.497	1.123	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C)[nH]c2=O)C[C@H]1C	ZINC001104724718	790398817	/nfs/dbraw/zinc/39/88/17/790398817.db2.gz	BZSFFSGPAKBHTG-UKRRQHHQSA-N	1	0	360.458	1.086	20	30		FDEDRO
C[NH+](C)CCc1ccc(CNC(=O)CNC(=O)c2ccc(C#N)cc2)cc1	ZINC000276136185	775941616	/nfs/dbraw/zinc/94/16/16/775941616.db2.gz	DJLYHPYMRQURIA-UHFFFAOYSA-N	1	0	364.449	1.709	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H](C[NH2+]Cc2ccn(C)c(=O)c2)C1	ZINC001087151617	776015308	/nfs/dbraw/zinc/01/53/08/776015308.db2.gz	BGPFIHXSPKRKCD-KDOFPFPSSA-N	1	0	367.453	1.616	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)CC(C)(F)F)C[C@H]32)CC1	ZINC001021886795	776502564	/nfs/dbraw/zinc/50/25/64/776502564.db2.gz	RQDPRFTVGPRYSF-JKSUJKDBSA-N	1	0	367.440	1.436	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C[C@H]1C	ZINC001104352089	776603024	/nfs/dbraw/zinc/60/30/24/776603024.db2.gz	BGZUWNAKQOOHPM-TUVASFSCSA-N	1	0	362.392	1.430	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]21	ZINC001021939818	776752166	/nfs/dbraw/zinc/75/21/66/776752166.db2.gz	RTJFWHVTDQRLHY-ZIFCJYIRSA-N	1	0	370.497	1.689	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)CS(=O)(=O)C2CCCC2)C[C@H]1C	ZINC001104357762	777068064	/nfs/dbraw/zinc/06/80/64/777068064.db2.gz	QYGOHDXUKVJMQW-HZPDHXFCSA-N	1	0	356.532	1.994	20	30		FDEDRO
CC(=O)N1CC(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2ccccc2C#N)C1	ZINC001087156422	777071102	/nfs/dbraw/zinc/07/11/02/777071102.db2.gz	HFGOLNVEDCVWJE-QRWLVFNGSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@H](C)n2ccnc2)C[C@H]1C	ZINC001104738264	790511625	/nfs/dbraw/zinc/51/16/25/790511625.db2.gz	NXEMDPZDFZUFAZ-IXDOHACOSA-N	1	0	361.490	1.211	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)/C=C(\C)C4CC4)[C@@H]3C2)CC1	ZINC000971463874	777160214	/nfs/dbraw/zinc/16/02/14/777160214.db2.gz	QEWJYJQWJANDDP-BBVSWNNQSA-N	1	0	369.509	1.747	20	30		FDEDRO
CC#CCN1C[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3ccccc3OC)[C@H]2C1	ZINC001083220026	777277858	/nfs/dbraw/zinc/27/78/58/777277858.db2.gz	ZGMQKIZIOIGTTB-HLNWXESRSA-N	1	0	354.450	1.734	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@@H](C)C(=O)N(C)C)C2)cc1	ZINC001112505856	777385678	/nfs/dbraw/zinc/38/56/78/777385678.db2.gz	LJSQYUDCYLHKQN-BPXKWBHBSA-N	1	0	367.493	1.977	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)[C@H](C[NH2+]Cc2ccc(C#N)s2)C1	ZINC001087159880	777593021	/nfs/dbraw/zinc/59/30/21/777593021.db2.gz	LMHSIEOBQNIFFD-TYNCELHUSA-N	1	0	362.455	1.445	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)C[C@H]1C	ZINC001104365293	777769862	/nfs/dbraw/zinc/76/98/62/777769862.db2.gz	DKAFVHQLBZOVJP-BZUAXINKSA-N	1	0	361.490	1.587	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C(C)(C)C)C2=O)C1	ZINC001022099901	777919126	/nfs/dbraw/zinc/91/91/26/777919126.db2.gz	UGKBHWVNVHMUMQ-JJTUDDRGSA-N	1	0	363.502	1.604	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cn(C(C)(C)C)nn2)C1	ZINC001022100016	777920694	/nfs/dbraw/zinc/92/06/94/777920694.db2.gz	WSQHQWVMWXHXFQ-WTTBNOFXSA-N	1	0	361.490	1.751	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C(=O)NC)c2)C1	ZINC001022101855	777931113	/nfs/dbraw/zinc/93/11/13/777931113.db2.gz	WEXAUXBRAPTJMA-HCXYKTFWSA-N	1	0	371.481	1.764	20	30		FDEDRO
C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]CC(=O)NCCC#N	ZINC000933436312	778124246	/nfs/dbraw/zinc/12/42/46/778124246.db2.gz	CMJCQMXWODACIN-OAHLLOKOSA-N	1	0	354.248	1.362	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3nnc(C)n3c2)C[C@H]1C	ZINC001104371987	778261536	/nfs/dbraw/zinc/26/15/36/778261536.db2.gz	MITACXQNUAOCAY-NVXWUHKLSA-N	1	0	369.469	1.375	20	30		FDEDRO
CC(C)(C#N)C(=O)N(c1nc(N2CCCC2)nc2c1C[NH2+]CC2)C1CC1	ZINC001143398322	778265878	/nfs/dbraw/zinc/26/58/78/778265878.db2.gz	IRPJBHXJDQZSJJ-UHFFFAOYSA-N	1	0	354.458	1.768	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cnccn2)C[C@H]1c1ccccc1	ZINC001211518818	778296461	/nfs/dbraw/zinc/29/64/61/778296461.db2.gz	AZROTBCXTCQXOL-PKOBYXMFSA-N	1	0	350.422	1.324	20	30		FDEDRO
C=CCNC(=O)CN1CCN(C(=O)OC(C)(C)C)CCC12CCOCC2	ZINC000933517706	778311577	/nfs/dbraw/zinc/31/15/77/778311577.db2.gz	ZTRKVYJUJQPPKA-UHFFFAOYSA-N	1	0	367.490	1.781	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC(C)C)C[C@H]1c1ccccc1	ZINC001211518890	778325100	/nfs/dbraw/zinc/32/51/00/778325100.db2.gz	GBMJJRJHVSPXMZ-YTQUADARSA-N	1	0	355.482	1.755	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4cnnc4)cc3)[C@H]2C1	ZINC001083223686	778589483	/nfs/dbraw/zinc/58/94/83/778589483.db2.gz	KSFUAOWTUOCQDB-RBUKOAKNSA-N	1	0	367.453	1.759	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1ccccn1)C2	ZINC001112506895	778717233	/nfs/dbraw/zinc/71/72/33/778717233.db2.gz	KRLVJHRQNJIQHX-UWJYYQICSA-N	1	0	370.497	1.535	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C(N)=O)cc1	ZINC001111489673	778731492	/nfs/dbraw/zinc/73/14/92/778731492.db2.gz	HPYREXNVEASWBU-LIRZEXBASA-N	1	0	357.454	1.598	20	30		FDEDRO
CC1CC[NH+](CC(=O)N2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)CC1	ZINC000971702429	778732835	/nfs/dbraw/zinc/73/28/35/778732835.db2.gz	AIXAKPHDRIIQQK-SJLPKXTDSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCC(C)C	ZINC001111489789	778893436	/nfs/dbraw/zinc/89/34/36/778893436.db2.gz	KYSUISDLUYMYAP-XDNAFOTISA-N	1	0	354.491	1.334	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1	ZINC000657060563	779100608	/nfs/dbraw/zinc/10/06/08/779100608.db2.gz	IMAHMXJKMXMGBL-HNNXBMFYSA-N	1	0	365.499	1.754	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1CC[NH2+]Cc1cc(C#N)ccc1F	ZINC001104380050	779171566	/nfs/dbraw/zinc/17/15/66/779171566.db2.gz	YYBLAPDSZOBITD-TZMCWYRMSA-N	1	0	356.405	1.703	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2ccns2)C1=O	ZINC001087172784	779349519	/nfs/dbraw/zinc/34/95/19/779349519.db2.gz	SCAAJBQOVLYXFA-ILXRZTDVSA-N	1	0	362.499	1.760	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)C[N@H+]4CCC[C@@H]4C)C[C@H]32)cc1	ZINC001022335011	779432359	/nfs/dbraw/zinc/43/23/59/779432359.db2.gz	FUXZYXSKMHUAQV-FFZOFVMBSA-N	1	0	365.477	1.825	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)[C@H](C4CC4)[NH+](C)C)C[C@H]32)cc1	ZINC001022335283	779432938	/nfs/dbraw/zinc/43/29/38/779432938.db2.gz	JXXWMWTUBLUVAX-ZCNNSNEGSA-N	1	0	365.477	1.681	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@H]1CCN(C)C1=O	ZINC001087175340	779460510	/nfs/dbraw/zinc/46/05/10/779460510.db2.gz	IWFKDIINHXFFLU-IKGGRYGDSA-N	1	0	358.486	1.735	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccnc(NC(C)=O)c3)[C@H]2C1	ZINC001083226664	779561566	/nfs/dbraw/zinc/56/15/66/779561566.db2.gz	PRRKCMNAOTTXFC-DLBZAZTESA-N	1	0	358.442	1.531	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(=O)n(CCOC)c2)C[C@H]1C	ZINC001104383096	779680513	/nfs/dbraw/zinc/68/05/13/779680513.db2.gz	ZUTINKAWKVDNDR-IAGOWNOFSA-N	1	0	359.470	1.206	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1C	ZINC001104384053	779701384	/nfs/dbraw/zinc/70/13/84/779701384.db2.gz	RDZLAYQCMQNFJU-BRWVUGGUSA-N	1	0	350.507	1.831	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[C@@H]4[NH2+]CC[C@@H]43)C2=O)cc1	ZINC000891851720	779752865	/nfs/dbraw/zinc/75/28/65/779752865.db2.gz	NZUZZZJIGGQYEH-BZSNNMDCSA-N	1	0	367.453	1.195	20	30		FDEDRO
CC[C@@H](C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[NH+](CC)CC	ZINC000276880945	779990886	/nfs/dbraw/zinc/99/08/86/779990886.db2.gz	ILTFTIRULZDONW-MSOLQXFVSA-N	1	0	356.470	1.896	20	30		FDEDRO
C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000477867009	780036055	/nfs/dbraw/zinc/03/60/55/780036055.db2.gz	ZYWVRJXDCWQUPA-HNNXBMFYSA-N	1	0	354.454	1.828	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2	ZINC000414725022	790782698	/nfs/dbraw/zinc/78/26/98/790782698.db2.gz	HDOQXLXBMVKURK-UHFFFAOYSA-N	1	0	366.396	1.940	20	30		FDEDRO
CN1CCN(Cc2ccc(C#N)cc2Br)CC[N@H+](C)CC1	ZINC000933992049	780524361	/nfs/dbraw/zinc/52/43/61/780524361.db2.gz	HXUXCDYMWJMXSK-UHFFFAOYSA-N	1	0	351.292	2.000	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)CC1	ZINC000277015220	780665669	/nfs/dbraw/zinc/66/56/69/780665669.db2.gz	AMHRHVCFTLXIQE-HUUCEWRRSA-N	1	0	358.442	1.859	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@H]2O)CC1	ZINC001025491424	790830090	/nfs/dbraw/zinc/83/00/90/790830090.db2.gz	ZOKSNNVDEQJTCT-FGTMMUONSA-N	1	0	363.502	1.294	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1C	ZINC001104393275	780943518	/nfs/dbraw/zinc/94/35/18/780943518.db2.gz	MZUXQLJPUDCSGL-OWCLPIDISA-N	1	0	362.474	1.378	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC)cc2)C[C@H]1C	ZINC001104393988	780951172	/nfs/dbraw/zinc/95/11/72/780951172.db2.gz	KGPFBJAZRCXSNK-HZPDHXFCSA-N	1	0	357.454	1.731	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1	ZINC001112508947	781038632	/nfs/dbraw/zinc/03/86/32/781038632.db2.gz	CVYRRBPIWBEARS-HKUYNNGSSA-N	1	0	368.543	1.833	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CC=CCC1)C2	ZINC001112509753	781055886	/nfs/dbraw/zinc/05/58/86/781055886.db2.gz	KHHBVIOZUDOABV-UWVAXJGDSA-N	1	0	358.486	1.591	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)c3cc(CN4CCCC4)on3)C[C@H]21	ZINC001022567795	781178044	/nfs/dbraw/zinc/17/80/44/781178044.db2.gz	IFDCUOPVNOFDDR-GRDNDAEWSA-N	1	0	371.441	1.103	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)C2)c(F)c1	ZINC000408031243	790878815	/nfs/dbraw/zinc/87/88/15/790878815.db2.gz	LNVGRRXSIZOOGS-QFBILLFUSA-N	1	0	371.460	1.172	20	30		FDEDRO
N#CC1CCC(CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1	ZINC000431300372	781458826	/nfs/dbraw/zinc/45/88/26/781458826.db2.gz	HDHFDLBTVAPZFE-UHFFFAOYSA-N	1	0	363.506	1.608	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)cc1	ZINC001087197246	781839181	/nfs/dbraw/zinc/83/91/81/781839181.db2.gz	FNLMROJJFZANIT-PBHICJAKSA-N	1	0	367.453	1.120	20	30		FDEDRO
C[N@H+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC000972346256	783381206	/nfs/dbraw/zinc/38/12/06/783381206.db2.gz	UQJUZAIDHOKLBJ-RDBSUJKOSA-N	1	0	360.483	1.554	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3oc(C)nc3C)C[C@H]21	ZINC000972834625	783900876	/nfs/dbraw/zinc/90/08/76/783900876.db2.gz	CGZZNVCJZDSARD-IXDOHACOSA-N	1	0	370.453	1.062	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3cccn3CC)C[C@H]21	ZINC000972835481	783904340	/nfs/dbraw/zinc/90/43/40/783904340.db2.gz	VUVJCINVBZWJDC-NZSAHSFTSA-N	1	0	368.481	1.279	20	30		FDEDRO
NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#Cc2ccc(Cl)cc2)C1	ZINC001112519915	783938562	/nfs/dbraw/zinc/93/85/62/783938562.db2.gz	GGZUILINIYYQDL-KXBFYZLASA-N	1	0	359.857	1.395	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(F)c(C)c1)C2	ZINC001112520227	783962774	/nfs/dbraw/zinc/96/27/74/783962774.db2.gz	UZTIBSUQKNWJEU-UWJYYQICSA-N	1	0	371.456	1.715	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001024158238	784035982	/nfs/dbraw/zinc/03/59/82/784035982.db2.gz	NGIFQQCMPSLFJI-VUCTXSBTSA-N	1	0	358.417	1.147	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(OC)nn2)C1	ZINC001024164809	784156952	/nfs/dbraw/zinc/15/69/52/784156952.db2.gz	HVTDKVHDKMCIFW-UAGQMJEPSA-N	1	0	360.458	1.405	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCCOCC)C1	ZINC001112520461	784241258	/nfs/dbraw/zinc/24/12/58/784241258.db2.gz	FYVBZOPUYMGQDN-PXNSSMCTSA-N	1	0	365.518	1.714	20	30		FDEDRO
C[C@@H]1C[C@H](N(C)C(=O)NCC(=O)NCC#N)CC[N@@H+]1Cc1ccccc1	ZINC000377052367	791012170	/nfs/dbraw/zinc/01/21/70/791012170.db2.gz	SILMZXSCNOAGRU-NVXWUHKLSA-N	1	0	357.458	1.321	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2cnnn2C)C1	ZINC001024192078	784289761	/nfs/dbraw/zinc/28/97/61/784289761.db2.gz	LWXHGHICRODJOR-SZMVWBNQSA-N	1	0	361.490	1.515	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)COc3c(C)cc(C)cc3C)[C@H]2C1	ZINC001083266443	784587704	/nfs/dbraw/zinc/58/77/04/784587704.db2.gz	YKFUERGBRHJYOU-RBUKOAKNSA-N	1	0	356.466	1.926	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1CNC(=O)NCc1nc(C#N)cs1	ZINC000892479697	785069328	/nfs/dbraw/zinc/06/93/28/785069328.db2.gz	LGHGGQVYGLFDTE-UHFFFAOYSA-N	1	0	359.455	1.955	20	30		FDEDRO
C[C@@H]1CN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C)[NH+]1CCO	ZINC000364839932	785201138	/nfs/dbraw/zinc/20/11/38/785201138.db2.gz	OCYCDSJVPKGMOH-GPMSIDNRSA-N	1	0	356.470	1.441	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(C)s4)[C@@H]3C2)C1=O	ZINC001075496615	785220693	/nfs/dbraw/zinc/22/06/93/785220693.db2.gz	DOFCBIBMQKKTOM-HRCADAONSA-N	1	0	359.495	1.990	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001024652490	785626728	/nfs/dbraw/zinc/62/67/28/785626728.db2.gz	NVARXKAVYRFNCO-GBESFXJTSA-N	1	0	368.481	1.753	20	30		FDEDRO
C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)CS(=O)(=O)CCCCC)C1	ZINC001111936002	785633457	/nfs/dbraw/zinc/63/34/57/785633457.db2.gz	ZZCVIWZQEKGNGG-WMZOPIPTSA-N	1	0	354.516	1.585	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCOc3ccccc3)C[C@H]21	ZINC000978726825	805714440	/nfs/dbraw/zinc/71/44/40/805714440.db2.gz	DBBMDFLIPDZEQU-UEDWAMCQSA-N	1	0	356.466	1.951	20	30		FDEDRO
Cc1cc[nH+]c(NC[C@H]2CCN(c3cc(S(N)(=O)=O)ccc3C#N)C2)c1	ZINC000376202352	786753826	/nfs/dbraw/zinc/75/38/26/786753826.db2.gz	ZSJSHTXMMWVODR-CQSZACIVSA-N	1	0	371.466	1.848	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCc2cccnc2)C1	ZINC001111958660	787404405	/nfs/dbraw/zinc/40/44/05/787404405.db2.gz	PRZGPTCRCPKWEV-ICSRJNTNSA-N	1	0	357.454	1.219	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCNC(=O)[C@@H]2c2ccccc2F)CC1	ZINC000376355524	787426254	/nfs/dbraw/zinc/42/62/54/787426254.db2.gz	SZNFVPHBDXDKPN-KRWDZBQOSA-N	1	0	360.433	1.659	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CCC)OCC)C[C@H]1C	ZINC001104558344	787841799	/nfs/dbraw/zinc/84/17/99/787841799.db2.gz	FMIPGTBFJVSHAA-BRWVUGGUSA-N	1	0	353.507	1.568	20	30		FDEDRO
C=CCN(C(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[C@@H](C)COC	ZINC000659093973	787994289	/nfs/dbraw/zinc/99/42/89/787994289.db2.gz	FWACXIQJGDXSPS-YOEHRIQHSA-N	1	0	361.442	1.336	20	30		FDEDRO
C=CCN(C(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)[C@H](C)COC	ZINC000659093971	787994455	/nfs/dbraw/zinc/99/44/55/787994455.db2.gz	FWACXIQJGDXSPS-RHSMWYFYSA-N	1	0	361.442	1.336	20	30		FDEDRO
CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000659107296	788039745	/nfs/dbraw/zinc/03/97/45/788039745.db2.gz	UIITWBQNOZSOFX-LJQANCHMSA-N	1	0	364.449	1.910	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1	ZINC001025216011	788269564	/nfs/dbraw/zinc/26/95/64/788269564.db2.gz	DPBAFUMBTSFGLA-DZJNRPSUSA-N	1	0	363.502	1.151	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](C)OC2(CC[NH+](CCCO)CC2)C1	ZINC001098599482	788296978	/nfs/dbraw/zinc/29/69/78/788296978.db2.gz	DCNKNNPYKUXGPJ-KSZLIROESA-N	1	0	366.502	1.432	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CNC(=O)CC(C)(C)C)C1	ZINC001111992621	788331674	/nfs/dbraw/zinc/33/16/74/788331674.db2.gz	FRLBZHCYBSSLLF-JXFKEZNVSA-N	1	0	363.502	1.159	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1	ZINC000973324512	788559579	/nfs/dbraw/zinc/55/95/79/788559579.db2.gz	HLJAHTPSRPEVCN-QAETUUGQSA-N	1	0	363.502	1.605	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H](NC(=O)C[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000978907932	805894602	/nfs/dbraw/zinc/89/46/02/805894602.db2.gz	BWVBTUBMWAABQW-QLIIJSOBSA-N	1	0	371.525	1.779	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc3n[nH]cc3c2)C[C@H]1C	ZINC001104594204	788782317	/nfs/dbraw/zinc/78/23/17/788782317.db2.gz	DHILDWFVLVQGCO-GDBMZVCRSA-N	1	0	367.453	1.000	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCS(C)(=O)=O)C[C@H]1c1ccccc1	ZINC001211687850	805913400	/nfs/dbraw/zinc/91/34/00/805913400.db2.gz	CKXZXMJWMQJVCI-DLBZAZTESA-N	1	0	350.484	1.581	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C	ZINC001104609412	788881326	/nfs/dbraw/zinc/88/13/26/788881326.db2.gz	ODIWEUHCQQKVMY-OWCLPIDISA-N	1	0	359.536	1.484	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nc(=O)n(C)[nH]3)C2)CCC1	ZINC001104639246	789111571	/nfs/dbraw/zinc/11/15/71/789111571.db2.gz	MVNMSVSTAKBPLM-HUUCEWRRSA-N	1	0	361.490	1.429	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C(C)C)cn2)C[C@H]1C	ZINC001104676605	789317238	/nfs/dbraw/zinc/31/72/38/789317238.db2.gz	RBIBMYTXTKNQTJ-SJLPKXTDSA-N	1	0	370.497	1.642	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1	ZINC000978974652	805955633	/nfs/dbraw/zinc/95/56/33/805955633.db2.gz	BSANPGCEHJIXRH-SPUZQDLCSA-N	1	0	363.502	1.320	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)c2c3n(c(=O)n2C)CCCC3)C[C@H]1C	ZINC001104681575	789345493	/nfs/dbraw/zinc/34/54/93/789345493.db2.gz	LBDHQLKUOWQZLP-HZPDHXFCSA-N	1	0	360.502	1.787	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2[nH]c(C)nc2C)C[C@H]1C	ZINC001104695588	789441197	/nfs/dbraw/zinc/44/11/97/789441197.db2.gz	NRIHAYWXTNBUOT-XNRPHZJLSA-N	1	0	361.490	1.405	20	30		FDEDRO
C=CCCC1(CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CCCC1	ZINC000659716754	789543910	/nfs/dbraw/zinc/54/39/10/789543910.db2.gz	CKJPURYRWHNHIE-GJZGRUSLSA-N	1	0	351.491	1.858	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3c(C)c(C)sc3=O)[C@H]2C1	ZINC001083283586	791182682	/nfs/dbraw/zinc/18/26/82/791182682.db2.gz	JRRCAYSBFBXRAW-LSDHHAIUSA-N	1	0	351.472	1.014	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)C[C@H](C)O1	ZINC000290266459	791259289	/nfs/dbraw/zinc/25/92/89/791259289.db2.gz	OVXOPDHGWLYJEL-BETUJISGSA-N	1	0	362.405	1.251	20	30		FDEDRO
N#Cc1ccsc1NC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1	ZINC000293759123	791292045	/nfs/dbraw/zinc/29/20/45/791292045.db2.gz	XENMPDYZFMPBOX-UHFFFAOYSA-N	1	0	369.450	1.986	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cccc3nnn(C)c32)C1	ZINC001112027520	791368342	/nfs/dbraw/zinc/36/83/42/791368342.db2.gz	JKUDDGGILOKXPP-YWZLYKJASA-N	1	0	369.469	1.755	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CC23CCN(c2ncccc2C#N)CC3)CC[N@@H+]1C	ZINC001058655515	791688279	/nfs/dbraw/zinc/68/82/79/791688279.db2.gz	AYHLHPATZXKDDZ-OIISXLGYSA-N	1	0	353.470	1.769	20	30		FDEDRO
C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)C1	ZINC000415317533	791920448	/nfs/dbraw/zinc/92/04/48/791920448.db2.gz	LOYXAKOCXAHJJK-CQSZACIVSA-N	1	0	365.393	1.504	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3cnc(C)cn3)C[C@H]21	ZINC001025790801	792040980	/nfs/dbraw/zinc/04/09/80/792040980.db2.gz	QWMNYSBSGZTBRJ-NNRKOQHJSA-N	1	0	356.470	1.874	20	30		FDEDRO
CC[NH2+]CCNC(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	ZINC000415362764	792074773	/nfs/dbraw/zinc/07/47/73/792074773.db2.gz	BZEVYIWATHGUEM-UHFFFAOYSA-N	1	0	367.409	1.718	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)cc1	ZINC000415390808	792162556	/nfs/dbraw/zinc/16/25/56/792162556.db2.gz	VBSLZXCUQOFLCM-ZDUSSCGKSA-N	1	0	373.457	1.518	20	30		FDEDRO
C=CCN(C(=O)Cn1cccnc1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000377572677	792244839	/nfs/dbraw/zinc/24/48/39/792244839.db2.gz	KUUSAPFYUCRVEX-GOSISDBHSA-N	1	0	352.438	1.532	20	30		FDEDRO
CC[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OCC)CC1	ZINC000415482254	792348204	/nfs/dbraw/zinc/34/82/04/792348204.db2.gz	WWZAEPGPAUYOSM-UHFFFAOYSA-N	1	0	358.442	1.744	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO	ZINC000893000872	792412447	/nfs/dbraw/zinc/41/24/47/792412447.db2.gz	JSOYLRLBRFHHKY-MSOLQXFVSA-N	1	0	357.454	1.439	20	30		FDEDRO
CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N	ZINC000415650804	792759227	/nfs/dbraw/zinc/75/92/27/792759227.db2.gz	AEHQGHUQPGNDCW-CYBMUJFWSA-N	1	0	367.409	1.798	20	30		FDEDRO
Cc1c(C(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)cnn1CCC#N	ZINC000893072377	792761501	/nfs/dbraw/zinc/76/15/01/792761501.db2.gz	JORALXFSIZPYBE-INIZCTEOSA-N	1	0	359.474	1.821	20	30		FDEDRO
C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1	ZINC000415691468	792821690	/nfs/dbraw/zinc/82/16/90/792821690.db2.gz	NDGGDSSSBCGPLE-NRFANRHFSA-N	1	0	362.433	1.617	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@@]1(C)C[NH3+]	ZINC000415841514	793122891	/nfs/dbraw/zinc/12/28/91/793122891.db2.gz	NRSDASMFLRMGKM-QLJPJBMISA-N	1	0	368.359	1.959	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21	ZINC001026096060	793284946	/nfs/dbraw/zinc/28/49/46/793284946.db2.gz	NOQWAKXLUXWKLA-KQHFAPEESA-N	1	0	371.485	1.183	20	30		FDEDRO
CC[NH2+]Cc1cccc(NC(=O)N(CCC#N)CCN2CCOCC2)c1	ZINC000415903493	793353613	/nfs/dbraw/zinc/35/36/13/793353613.db2.gz	FDOBGHHVXVTQIM-UHFFFAOYSA-N	1	0	359.474	1.876	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnon2)C1	ZINC001104757722	793475966	/nfs/dbraw/zinc/47/59/66/793475966.db2.gz	JGYRAWSWHKZDSR-UNEWFSDZSA-N	1	0	363.462	1.115	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC000378128130	793550413	/nfs/dbraw/zinc/55/04/13/793550413.db2.gz	SSTNVSGFZJCVBF-BZUAXINKSA-N	1	0	369.473	1.195	20	30		FDEDRO
CCN1C(=O)N=NC1C1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000378135159	793557246	/nfs/dbraw/zinc/55/72/46/793557246.db2.gz	CPLVZFLHKNVLQL-MRXNPFEDSA-N	1	0	371.441	1.495	20	30		FDEDRO
C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	ZINC000290614838	793563589	/nfs/dbraw/zinc/56/35/89/793563589.db2.gz	YRQYZMQJTVOAAV-UHFFFAOYSA-N	1	0	367.409	1.752	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1	ZINC000636502182	793788448	/nfs/dbraw/zinc/78/84/48/793788448.db2.gz	BYELMCJEILFKLD-KRWDZBQOSA-N	1	0	366.550	1.483	20	30		FDEDRO
C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@H]1C(F)(F)F	ZINC001112052882	793865167	/nfs/dbraw/zinc/86/51/67/793865167.db2.gz	HHRXPCDCWFHKQW-IJLUTSLNSA-N	1	0	353.410	1.383	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1CC[NH2+]CC#Cc1ccccc1	ZINC001104832876	793958045	/nfs/dbraw/zinc/95/80/45/793958045.db2.gz	YQYMIOORMGLXQB-IEBWSBKVSA-N	1	0	366.469	1.189	20	30		FDEDRO
CCc1nc(C#N)cc(NC[C@@H](C)N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)n1	ZINC001104845734	794031241	/nfs/dbraw/zinc/03/12/41/794031241.db2.gz	USAVQLKOYVKRGM-VNQPRFMTSA-N	1	0	358.490	1.900	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C1CCN(Cc2ccncc2)CC1	ZINC000378381540	794055568	/nfs/dbraw/zinc/05/55/68/794055568.db2.gz	DZXHRRKRAUCQFF-HNNXBMFYSA-N	1	0	359.474	1.378	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)Cc2cnn(C)c2)C[C@H]1C	ZINC001104851873	794067960	/nfs/dbraw/zinc/06/79/60/794067960.db2.gz	BCLBAKKOWQFBDI-YQVWRLOYSA-N	1	0	362.518	1.876	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1	ZINC000378457643	794174621	/nfs/dbraw/zinc/17/46/21/794174621.db2.gz	WFUHLMZXSGOUHI-BBRMVZONSA-N	1	0	359.401	1.329	20	30		FDEDRO
CC(C)c1ocnc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104878872	794184999	/nfs/dbraw/zinc/18/49/99/794184999.db2.gz	SSGSJGBGPRUXQY-ZIAGYGMSSA-N	1	0	361.446	1.126	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCN(C(=O)CC)C2)C[C@H]1C	ZINC001104879082	794188376	/nfs/dbraw/zinc/18/83/76/794188376.db2.gz	DRPUYEMXFKGFNL-KZNAEPCWSA-N	1	0	365.518	1.522	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(-n3ccnn3)cc2)C[C@H]1C	ZINC001104901422	794306225	/nfs/dbraw/zinc/30/62/25/794306225.db2.gz	DQPGDJSADRZBJS-SJLPKXTDSA-N	1	0	351.454	1.978	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)c2cc(=O)n3[nH]cnc3n2)C[C@H]1C	ZINC001104904604	794311679	/nfs/dbraw/zinc/31/16/79/794311679.db2.gz	BJHUUNTVPIETKU-ZIAGYGMSSA-N	1	0	358.446	1.072	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1	ZINC000236681159	794387622	/nfs/dbraw/zinc/38/76/22/794387622.db2.gz	WPCGXPONDSXTMW-APWZRJJASA-N	1	0	371.481	1.972	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC3CC3)C2)nc1	ZINC001104924963	794423860	/nfs/dbraw/zinc/42/38/60/794423860.db2.gz	VFKFAQPFXMKENU-GDBMZVCRSA-N	1	0	354.454	1.029	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)=O)C[C@H]1C	ZINC001104928920	794441265	/nfs/dbraw/zinc/44/12/65/794441265.db2.gz	QYOVUKXNQTZFMR-NXHRZFHOSA-N	1	0	351.491	1.274	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104932928	794453590	/nfs/dbraw/zinc/45/35/90/794453590.db2.gz	VXTRGOIMACSOJL-VXGBXAGGSA-N	1	0	362.396	1.289	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCC2CC2)C[C@H]1C(F)(F)F	ZINC001112064924	794474862	/nfs/dbraw/zinc/47/48/62/794474862.db2.gz	XIWCPARETFXKKL-NWANDNLSSA-N	1	0	362.392	1.430	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)C)C[C@H]1C	ZINC001104939892	794495132	/nfs/dbraw/zinc/49/51/32/794495132.db2.gz	LNJKPZLBZSOOGE-RBSFLKMASA-N	1	0	366.506	1.507	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000974144176	794524277	/nfs/dbraw/zinc/52/42/77/794524277.db2.gz	NHWZEBPHYSPMGZ-VYCZESIESA-N	1	0	369.465	1.416	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cc2cncn2C)C1	ZINC000974172197	794615993	/nfs/dbraw/zinc/61/59/93/794615993.db2.gz	HGHPWNVPKMUXCG-KPEUIFRASA-N	1	0	360.458	1.097	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cccc(C)c2C)C[C@H]1C	ZINC001104969116	794631295	/nfs/dbraw/zinc/63/12/95/794631295.db2.gz	JMEYZGKGXBWMAO-SJLPKXTDSA-N	1	0	355.482	1.741	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1c1ccccc1	ZINC001211690932	806348567	/nfs/dbraw/zinc/34/85/67/806348567.db2.gz	QANBSHMAFSCRHU-DLBZAZTESA-N	1	0	370.453	1.089	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1	ZINC001104986335	794741746	/nfs/dbraw/zinc/74/17/46/794741746.db2.gz	ATQHERMGTHFBMY-CRAIPNDOSA-N	1	0	352.442	1.424	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)Cn2ccc(C(F)(F)F)n2)C[C@H]1C	ZINC001104987040	794744422	/nfs/dbraw/zinc/74/44/22/794744422.db2.gz	JOZIQCVNPUAPAM-ZIAGYGMSSA-N	1	0	356.392	1.999	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H]2CCCOC2)C1	ZINC001112070021	794757886	/nfs/dbraw/zinc/75/78/86/794757886.db2.gz	XGUOUEGMLBYTDA-BFHYXJOUSA-N	1	0	350.381	1.595	20	30		FDEDRO
O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCCCN1CC[NH2+]CC1	ZINC000416944502	794818127	/nfs/dbraw/zinc/81/81/27/794818127.db2.gz	LVHYRNQSGDQGMU-UHFFFAOYSA-N	1	0	368.403	1.651	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)COc2cccc(F)c2)C[C@H]1C	ZINC001105004789	794857657	/nfs/dbraw/zinc/85/76/57/794857657.db2.gz	KFOQKHQRZBGVFQ-IAGOWNOFSA-N	1	0	362.445	1.929	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000511594907	794857727	/nfs/dbraw/zinc/85/77/27/794857727.db2.gz	KUVZCQUFUFDLFW-AEFFLSMTSA-N	1	0	359.470	1.284	20	30		FDEDRO
C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C	ZINC001105025364	794965751	/nfs/dbraw/zinc/96/57/51/794965751.db2.gz	RYQHBXRWZDZXBN-HZPDHXFCSA-N	1	0	359.536	1.356	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)c2ccccn2)C[C@H]1C	ZINC001105048748	795062489	/nfs/dbraw/zinc/06/24/89/795062489.db2.gz	DWDRQMFKJGLZDO-IAGOWNOFSA-N	1	0	358.486	1.852	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3nnc(C)n3C2)C[C@H]1C	ZINC001105053555	795072895	/nfs/dbraw/zinc/07/28/95/795072895.db2.gz	SIIJZVYZQGAYFM-DAXOMENPSA-N	1	0	365.909	1.976	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)N2CCCCC2=O)C[C@H]1C	ZINC001105054335	795075350	/nfs/dbraw/zinc/07/53/50/795075350.db2.gz	RJAHYZGLGZSGDQ-FGTMMUONSA-N	1	0	363.502	1.111	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)NCc2ccco2)C[C@H]1C	ZINC001105059099	795091904	/nfs/dbraw/zinc/09/19/04/795091904.db2.gz	KQSSLFVANUWBGT-HZPDHXFCSA-N	1	0	360.458	1.176	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cccnc2OCCOC)C[C@H]1C	ZINC001105062354	795107128	/nfs/dbraw/zinc/10/71/28/795107128.db2.gz	MYSUBOQIDLSXLR-IAGOWNOFSA-N	1	0	359.470	1.818	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2c(C)nsc2C)C[C@H]1C	ZINC001105076147	795172277	/nfs/dbraw/zinc/17/22/77/795172277.db2.gz	LMLAUXADIJZNPQ-IUODEOHRSA-N	1	0	364.515	1.750	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2CCC)C1	ZINC001105089915	795232378	/nfs/dbraw/zinc/23/23/78/795232378.db2.gz	AZSZUNCLADAFPO-HZPDHXFCSA-N	1	0	364.494	1.250	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCc2nc(C)no2)C1	ZINC001105090146	795233522	/nfs/dbraw/zinc/23/35/22/795233522.db2.gz	LHCMQZPJLQCYJB-BFYDXBDKSA-N	1	0	364.490	1.976	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)N(CC)CC)C1	ZINC001105090246	795234108	/nfs/dbraw/zinc/23/41/08/795234108.db2.gz	OAWYJPCWTWNJAT-FGTMMUONSA-N	1	0	367.534	1.910	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC(=O)N(CCc3ccccc3)C2)CC1	ZINC000364135168	795254707	/nfs/dbraw/zinc/25/47/07/795254707.db2.gz	UGDCXNCCORTKBE-IBGZPJMESA-N	1	0	367.493	1.539	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cc(N(C)C)ccn2)C[C@H]1C	ZINC001105098635	795286058	/nfs/dbraw/zinc/28/60/58/795286058.db2.gz	LICWKKMDVVLRFC-IAGOWNOFSA-N	1	0	358.486	1.485	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C2)CCCC1	ZINC001105115363	795330059	/nfs/dbraw/zinc/33/00/59/795330059.db2.gz	DHDWYIYNKWJUAZ-HUUCEWRRSA-N	1	0	364.490	1.392	20	30		FDEDRO
C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000418014965	795462984	/nfs/dbraw/zinc/46/29/84/795462984.db2.gz	VKJVIZBXRWINDR-FUHWJXTLSA-N	1	0	369.469	1.695	20	30		FDEDRO
CC(C)C[C@@H](C[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000418077018	795513196	/nfs/dbraw/zinc/51/31/96/795513196.db2.gz	KVCBOASEZYWVJE-DLBZAZTESA-N	1	0	357.458	1.332	20	30		FDEDRO
N#Cc1cccc(C[NH2+]C2CCC(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC2)c1	ZINC001026558143	795550674	/nfs/dbraw/zinc/55/06/74/795550674.db2.gz	ASZXTRAKSRTVJD-ZGUYJTEBSA-N	1	0	370.453	1.108	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC([NH2+]Cc2nnc(C3CC3)[nH]2)CC1	ZINC001026563919	795558271	/nfs/dbraw/zinc/55/82/71/795558271.db2.gz	NVKUCMCVZFFJAZ-FJBKBRRZSA-N	1	0	359.474	1.790	20	30		FDEDRO
N#Cc1cccc(CCNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])c1	ZINC000418155714	795582341	/nfs/dbraw/zinc/58/23/41/795582341.db2.gz	ZRPYVMTUEWUGLK-KRWDZBQOSA-N	1	0	357.458	1.130	20	30		FDEDRO
C=C1CCC(C(=O)N(CCO)CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1	ZINC001058726568	795843341	/nfs/dbraw/zinc/84/33/41/795843341.db2.gz	CHDCOSJLRODDBY-ZWKOTPCHSA-N	1	0	365.518	1.400	20	30		FDEDRO
N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@H](C[NH3+])C3CC3)CC2)c1	ZINC000418399983	795869067	/nfs/dbraw/zinc/86/90/67/795869067.db2.gz	LYGQPBZJWNMPIS-QGZVFWFLSA-N	1	0	355.442	1.656	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](c2ccccc2)[C@H](NCc2nnnn2C)C1	ZINC001211657585	795892222	/nfs/dbraw/zinc/89/22/22/795892222.db2.gz	JKFJQMBLAPOTLC-RYQLBKOJSA-N	1	0	368.485	1.897	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCC(C)C)C1	ZINC001112100386	796006141	/nfs/dbraw/zinc/00/61/41/796006141.db2.gz	AZFXWMPNZQNRCD-RRFJBIMHSA-N	1	0	364.408	1.676	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21	ZINC000974468975	796009266	/nfs/dbraw/zinc/00/92/66/796009266.db2.gz	PEOPTZHWDRMNQG-KBRIMQKVSA-N	1	0	355.442	1.044	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC(F)(F)F)C1	ZINC001112100860	796028516	/nfs/dbraw/zinc/02/85/16/796028516.db2.gz	NSLDUFDEZSIUNI-GMTAPVOTSA-N	1	0	360.298	1.956	20	30		FDEDRO
C=CCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3cccnc3)C2)nn1	ZINC001105331650	796177408	/nfs/dbraw/zinc/17/74/08/796177408.db2.gz	JWEKSYWLMSCBCL-RBUKOAKNSA-N	1	0	366.469	1.916	20	30		FDEDRO
N#CCOc1ccc(CN2C[C@@H](NC(=O)c3ccccc3)[C@@H](O)C2)cc1	ZINC001083313835	806532291	/nfs/dbraw/zinc/53/22/91/806532291.db2.gz	DTSUTUMWILNTCZ-MOPGFXCFSA-N	1	0	351.406	1.564	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3C3CCC3)C2)CC1	ZINC000979851736	806555706	/nfs/dbraw/zinc/55/57/06/806555706.db2.gz	UPPCAEVTTNOMQY-MVJPYGJCSA-N	1	0	371.525	1.779	20	30		FDEDRO
C#Cc1ccc(C(=O)N(CCC(=O)OCC)C[C@@H]2CCC[N@@H+]2CC)nc1	ZINC000728862378	806602985	/nfs/dbraw/zinc/60/29/85/806602985.db2.gz	IIYUNORUTWZDTM-KRWDZBQOSA-N	1	0	357.454	1.943	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(C#N)s3)C2)C1	ZINC001026851801	799999763	/nfs/dbraw/zinc/99/97/63/799999763.db2.gz	PXQNOOPKFXVRRR-XJKCOSOUSA-N	1	0	360.483	1.473	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2c(C)nnn2CC)C1	ZINC001026849625	800015240	/nfs/dbraw/zinc/01/52/40/800015240.db2.gz	AIMBKCOOPMDTNJ-JZXOWHBKSA-N	1	0	361.490	1.526	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2c(C)nnn2CC)C1	ZINC001026849626	800015429	/nfs/dbraw/zinc/01/54/29/800015429.db2.gz	AIMBKCOOPMDTNJ-NUJGCVRESA-N	1	0	361.490	1.526	20	30		FDEDRO
C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C(C)(C)C1	ZINC000974688231	800075309	/nfs/dbraw/zinc/07/53/09/800075309.db2.gz	WSQPOZWGZRCDFG-BPQIPLTHSA-N	1	0	358.486	1.831	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]21	ZINC000974710983	800151142	/nfs/dbraw/zinc/15/11/42/800151142.db2.gz	BKFVVZWYBNOLGF-FGTMMUONSA-N	1	0	359.514	1.990	20	30		FDEDRO
C=CC[C@@]1(C(=O)N[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CCC[NH2+]1	ZINC000662516854	806812263	/nfs/dbraw/zinc/81/22/63/806812263.db2.gz	HSZKXXBBRXWZTR-KDOFPFPSSA-N	1	0	365.499	1.812	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc1	ZINC001026963118	800321375	/nfs/dbraw/zinc/32/13/75/800321375.db2.gz	DGCIIPLDWVINMW-ROMHJBHXSA-N	1	0	351.450	1.920	20	30		FDEDRO
CC1(C)C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)C1	ZINC000975043616	800763366	/nfs/dbraw/zinc/76/33/66/800763366.db2.gz	FCAMRRJRQHOYSW-FGTMMUONSA-N	1	0	368.481	1.786	20	30		FDEDRO
CC1(C)CN(CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O	ZINC000975048512	800772828	/nfs/dbraw/zinc/77/28/28/800772828.db2.gz	QCIYPFZGYCOMJI-IXDOHACOSA-N	1	0	357.429	1.125	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]32)c1	ZINC000975070564	800823356	/nfs/dbraw/zinc/82/33/56/800823356.db2.gz	GNLRIQAQUUSMHA-BPQIPLTHSA-N	1	0	354.454	1.076	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)C1	ZINC001027075211	800887640	/nfs/dbraw/zinc/88/76/40/800887640.db2.gz	NNCMGRIREWBRCB-ZNMIVQPWSA-N	1	0	361.490	1.631	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cccc(C(N)=O)c2)C1	ZINC001027116536	801008250	/nfs/dbraw/zinc/00/82/50/801008250.db2.gz	DKVWJXAMMCSGIM-NEWSRXKRSA-N	1	0	371.481	1.705	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnc(C)s2)C1	ZINC001027116987	801012935	/nfs/dbraw/zinc/01/29/35/801012935.db2.gz	MTFXHNZKAWSHPY-DZKIICNBSA-N	1	0	350.488	1.766	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nn(C)cc2Cl)C1	ZINC001027117440	801016933	/nfs/dbraw/zinc/01/69/33/801016933.db2.gz	YIQIVRORAHLVHW-KEYYUXOJSA-N	1	0	366.893	1.993	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)CC4CC4)C[C@@H]32)CC1	ZINC000975452947	801364093	/nfs/dbraw/zinc/36/40/93/801364093.db2.gz	UCAGHKKPGYPZAI-HKUYNNGSSA-N	1	0	357.498	1.581	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)CCC[NH2+]1	ZINC000662661438	806930640	/nfs/dbraw/zinc/93/06/40/806930640.db2.gz	CLOMDDQMABNEEK-NRFANRHFSA-N	1	0	371.481	1.800	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)C1	ZINC000975644748	801829796	/nfs/dbraw/zinc/82/97/96/801829796.db2.gz	HBTDQMVTYBWJLF-HFTRVMKXSA-N	1	0	369.469	1.291	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)C=C4CCC4)C[C@@H]32)CC1	ZINC000975656149	801855320	/nfs/dbraw/zinc/85/53/20/801855320.db2.gz	MQNWQUCCVMTKIT-ICSRJNTNSA-N	1	0	369.509	1.891	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000660866133	801874681	/nfs/dbraw/zinc/87/46/81/801874681.db2.gz	WOEBGSBHLCPHRE-QRVBRYPASA-N	1	0	364.534	1.827	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@H]2C1	ZINC000975700561	802061219	/nfs/dbraw/zinc/06/12/19/802061219.db2.gz	DXOBJGHLMZZSSA-CUWPLCDZSA-N	1	0	369.509	1.724	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)c4ccon4)[C@H]3C2)CC1	ZINC000975753924	802206237	/nfs/dbraw/zinc/20/62/37/802206237.db2.gz	BJJXMEUNPFSCEA-YJBOKZPZSA-N	1	0	370.453	1.083	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)CC4(C)CC4)[C@H]3C2)CC1	ZINC000975754212	802207775	/nfs/dbraw/zinc/20/77/75/802207775.db2.gz	FTKWFWVXYVPFDP-HKUYNNGSSA-N	1	0	371.525	1.971	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@H]3C2)C1	ZINC000975818334	802467379	/nfs/dbraw/zinc/46/73/79/802467379.db2.gz	HMGNWMHVQGCHJW-ZVZYQTTQSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1n[nH]cc1F)C2	ZINC001112524664	802755489	/nfs/dbraw/zinc/75/54/89/802755489.db2.gz	AVDPSAQCZBJTGU-VBHSOAQHSA-N	1	0	363.437	1.071	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCN2CCNC2=O)C1	ZINC001211664249	802760631	/nfs/dbraw/zinc/76/06/31/802760631.db2.gz	SIMCLHPOWMVMPI-RBUKOAKNSA-N	1	0	370.497	1.952	20	30		FDEDRO
C=CC[C@]1(C(=O)NCc2ccccc2N2CCN(C(C)=O)CC2)CCC[NH2+]1	ZINC000662710291	802782455	/nfs/dbraw/zinc/78/24/55/802782455.db2.gz	WTRXTKNSHHCNSX-OAQYLSRUSA-N	1	0	370.497	1.670	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1conc1CC)C2	ZINC001112524940	802835946	/nfs/dbraw/zinc/83/59/46/802835946.db2.gz	PUYCFGUGYFVOPX-LIRRHRJNSA-N	1	0	360.458	1.371	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)CCC[NH2+]1	ZINC000662717965	802887389	/nfs/dbraw/zinc/88/73/89/802887389.db2.gz	UMFDDZBMFKIVGF-FQEVSTJZSA-N	1	0	362.518	1.278	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccccc4O)[C@@H]3C2)C1=O	ZINC001075564254	803057731	/nfs/dbraw/zinc/05/77/31/803057731.db2.gz	KIPVEJCNWUTHBL-BHYGNILZSA-N	1	0	355.438	1.325	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C(C)C	ZINC000976501709	803439140	/nfs/dbraw/zinc/43/91/40/803439140.db2.gz	FXXGXAWYOORFFP-ZXXIGWHRSA-N	1	0	361.486	1.023	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC000976539237	803490703	/nfs/dbraw/zinc/49/07/03/803490703.db2.gz	MMVZESHKZOOWDV-INMHGKMJSA-N	1	0	357.458	1.528	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]21	ZINC000976576250	803545785	/nfs/dbraw/zinc/54/57/85/803545785.db2.gz	YEXOACZUGCDRCR-MNWMBMHPSA-N	1	0	363.502	1.271	20	30		FDEDRO
C=C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1	ZINC000976601150	803604685	/nfs/dbraw/zinc/60/46/85/803604685.db2.gz	QVZCLKSZFDXLJE-CETDPJCDSA-N	1	0	367.493	1.869	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1	ZINC000423081567	814956866	/nfs/dbraw/zinc/95/68/66/814956866.db2.gz	CZWFRNSPDMOBAT-RBUKOAKNSA-N	1	0	362.433	1.470	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[N@@H+](C)C2)cc1	ZINC000976692607	803722288	/nfs/dbraw/zinc/72/22/88/803722288.db2.gz	OQOVQMKQXUANOZ-IPMKNSEASA-N	1	0	353.466	1.777	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1	ZINC000423124894	814967499	/nfs/dbraw/zinc/96/74/99/814967499.db2.gz	MWMATMSZZVRUGK-QAPCUYQASA-N	1	0	356.470	1.740	20	30		FDEDRO
C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1	ZINC000423150294	814973965	/nfs/dbraw/zinc/97/39/65/814973965.db2.gz	IQUURJDUPFGKTQ-INIZCTEOSA-N	1	0	370.453	1.138	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCC(OCCC[NH3+])CC1	ZINC000423182837	814982614	/nfs/dbraw/zinc/98/26/14/814982614.db2.gz	FRPPWPZUUVNXQX-UHFFFAOYSA-N	1	0	373.497	1.600	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1	ZINC000423206128	814991489	/nfs/dbraw/zinc/99/14/89/814991489.db2.gz	CGNPPCZKFLYSRY-GOEBONIOSA-N	1	0	374.441	1.695	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(C)CC(=C)C2)C[C@H]1c1ccccc1	ZINC001211670722	804499177	/nfs/dbraw/zinc/49/91/77/804499177.db2.gz	FKUOLDSKGUBZMR-RBUKOAKNSA-N	1	0	365.477	1.676	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@H]21	ZINC000977216860	804601367	/nfs/dbraw/zinc/60/13/67/804601367.db2.gz	HKWAUUQXRDPSNI-ZMSHIADSSA-N	1	0	361.486	1.023	20	30		FDEDRO
C=CC[N@@H+](CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C)C(C)(C)C	ZINC000661759184	804822456	/nfs/dbraw/zinc/82/24/56/804822456.db2.gz	CPAWUOKPDOQWEO-ZDUSSCGKSA-N	1	0	365.499	1.898	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C)CC(=C)C1)C2	ZINC001112527249	805154983	/nfs/dbraw/zinc/15/49/83/805154983.db2.gz	VRYLPBTZVBEDPR-FIKGOQFSSA-N	1	0	357.498	1.699	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1c1ccccc1	ZINC001211674744	805174747	/nfs/dbraw/zinc/17/47/47/805174747.db2.gz	IEWXNUSKIVXLNX-YDZRNGNQSA-N	1	0	355.482	1.871	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)co2)C[C@H]1c1ccccc1	ZINC001211674749	805175232	/nfs/dbraw/zinc/17/52/32/805175232.db2.gz	INCKYDMDOFRSAG-DLBZAZTESA-N	1	0	351.406	1.600	20	30		FDEDRO
N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@]45C[C@H]4COC5)[C@@H]3C2)c1	ZINC000978164980	805230465	/nfs/dbraw/zinc/23/04/65/805230465.db2.gz	HJEDKCYSQHIQSG-ZTTBQOKTSA-N	1	0	355.413	1.528	20	30		FDEDRO
Cc1cc(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)nn1CCC#N	ZINC000504100066	815063455	/nfs/dbraw/zinc/06/34/55/815063455.db2.gz	ZIOGHLCMVMSXJL-UHFFFAOYSA-N	1	0	367.457	1.651	20	30		FDEDRO
CC(C)Oc1ccc([C@@H](CNC(=O)NCC(=O)NCC#N)[NH+](C)C)cc1	ZINC000511909938	805306010	/nfs/dbraw/zinc/30/60/10/805306010.db2.gz	LCPJSJYVPILFQS-MRXNPFEDSA-N	1	0	361.446	1.015	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)[C@@H]2C1	ZINC000978338892	805371445	/nfs/dbraw/zinc/37/14/45/805371445.db2.gz	QMJJYIGKENVDQK-QMIVOQANSA-N	1	0	362.392	1.593	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@H]1c1ccccc1	ZINC001211680074	805501872	/nfs/dbraw/zinc/50/18/72/805501872.db2.gz	GAAHLMWCRADALM-HYVNUMGLSA-N	1	0	365.499	1.084	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1	ZINC001087429858	807024088	/nfs/dbraw/zinc/02/40/88/807024088.db2.gz	HULHMHRSSHWFSG-IEBWSBKVSA-N	1	0	364.449	1.392	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1	ZINC000980576513	807076581	/nfs/dbraw/zinc/07/65/81/807076581.db2.gz	QZWJTMYOQHYGAR-DZVNLGKHSA-N	1	0	363.502	1.461	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1	ZINC000423467552	815091399	/nfs/dbraw/zinc/09/13/99/815091399.db2.gz	XRDSMYHIWVQTHN-IAGOWNOFSA-N	1	0	359.470	1.685	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCOC2)C[C@H]1c1ccccc1	ZINC001211696570	807205653	/nfs/dbraw/zinc/20/56/53/807205653.db2.gz	KGYJOJAYHAORHK-QKNQBKEWSA-N	1	0	356.466	1.647	20	30		FDEDRO
C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)C1	ZINC000423533062	815105653	/nfs/dbraw/zinc/10/56/53/815105653.db2.gz	WOACXADLYWLPJY-FUHIMQAGSA-N	1	0	354.454	1.482	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1CCCNC(=O)OC(C)(C)C	ZINC000278924537	807257428	/nfs/dbraw/zinc/25/74/28/807257428.db2.gz	VEQMZWXMPCASMY-CQSZACIVSA-N	1	0	360.462	1.774	20	30		FDEDRO
C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1	ZINC000423557940	815114878	/nfs/dbraw/zinc/11/48/78/815114878.db2.gz	MBEICLYHMGQZGR-GOSISDBHSA-N	1	0	352.438	1.384	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)C3CC=CC3)C2)CC1	ZINC000981078574	807501788	/nfs/dbraw/zinc/50/17/88/807501788.db2.gz	RIINNYAZQRTTJP-QFBILLFUSA-N	1	0	357.498	1.699	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCNC(=O)CC2)C1	ZINC001087433147	807532943	/nfs/dbraw/zinc/53/29/43/807532943.db2.gz	AOAZKJSWGAPICH-XUVXKRRUSA-N	1	0	367.493	1.900	20	30		FDEDRO
C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1	ZINC000423551477	815129835	/nfs/dbraw/zinc/12/98/35/815129835.db2.gz	GRFSQYHWCSSOJS-QGZVFWFLSA-N	1	0	366.465	1.632	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1	ZINC000981175336	807649501	/nfs/dbraw/zinc/64/95/01/807649501.db2.gz	KVPAVGKYHGERLL-SOUVJXGZSA-N	1	0	357.458	1.243	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@]2(CNC(=O)C2)C1	ZINC000278970166	807942789	/nfs/dbraw/zinc/94/27/89/807942789.db2.gz	XUNMBOBNDFCWMP-IFXJQAMLSA-N	1	0	358.417	1.673	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1	ZINC000981540869	808127693	/nfs/dbraw/zinc/12/76/93/808127693.db2.gz	NMOHUGHQYICOGC-YXJHDRRASA-N	1	0	371.485	1.775	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1	ZINC000981582740	808183247	/nfs/dbraw/zinc/18/32/47/808183247.db2.gz	HEXZGOAROGDAFZ-GVDBMIGSSA-N	1	0	358.486	1.783	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)cn1	ZINC000981683804	808337085	/nfs/dbraw/zinc/33/70/85/808337085.db2.gz	BBSTZSMKAQNAKI-IPELMVKDSA-N	1	0	368.481	1.562	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCN(C)C2=O)C1	ZINC001087434236	808343894	/nfs/dbraw/zinc/34/38/94/808343894.db2.gz	CHECXDTYMBZPFN-CEXWTWQISA-N	1	0	353.466	1.462	20	30		FDEDRO
C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)C1	ZINC000423705568	815208746	/nfs/dbraw/zinc/20/87/46/815208746.db2.gz	OVCORAKOVKWIBP-NXHRZFHOSA-N	1	0	354.454	1.210	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+]([C@@H](C)C(=O)N(C)C)C2	ZINC000981776391	808475309	/nfs/dbraw/zinc/47/53/09/808475309.db2.gz	LXMJNKQKUMAJGX-BBWFWOEESA-N	1	0	363.502	1.369	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)nc1	ZINC000981844490	808610366	/nfs/dbraw/zinc/61/03/66/808610366.db2.gz	RMGIZOMUEVBSFH-YESZJQIVSA-N	1	0	354.454	1.029	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CCCCC(N)=O)C[C@H]1c1ccccc1	ZINC001211705710	809056032	/nfs/dbraw/zinc/05/60/32/809056032.db2.gz	PIAVNUKCABFGDD-RBUKOAKNSA-N	1	0	371.481	1.266	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000418691340	809136735	/nfs/dbraw/zinc/13/67/35/809136735.db2.gz	DPSIHZLCLMNNDQ-ZIAGYGMSSA-N	1	0	352.442	1.674	20	30		FDEDRO
C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCO[C@H]3c3cnn(C)c3)C[C@@]2(C)C1	ZINC000982298620	809143193	/nfs/dbraw/zinc/14/31/93/809143193.db2.gz	JOXNRDGLSIXTMW-JYRKZWEQSA-N	1	0	370.497	1.691	20	30		FDEDRO
Cc1cc(C)cc(NC(=O)CN2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)c1	ZINC001075621119	809181516	/nfs/dbraw/zinc/18/15/16/809181516.db2.gz	OUMLBGHMRDKJIS-XYJFISCASA-N	1	0	354.454	1.934	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)NCC[NH2+]C2CCCCCC2)cc1F	ZINC000418888272	809297126	/nfs/dbraw/zinc/29/71/26/809297126.db2.gz	OGVJHEPYLLQMHA-UHFFFAOYSA-N	1	0	360.433	1.742	20	30		FDEDRO
Cc1cnc(N)c(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1	ZINC000500650052	809311785	/nfs/dbraw/zinc/31/17/85/809311785.db2.gz	IZSPDNSKTFLHRC-UHFFFAOYSA-N	1	0	373.482	1.596	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1	ZINC000418922175	809316350	/nfs/dbraw/zinc/31/63/50/809316350.db2.gz	MKFGVKBGNLJXKB-KRWDZBQOSA-N	1	0	374.510	1.541	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1	ZINC000418939612	809330434	/nfs/dbraw/zinc/33/04/34/809330434.db2.gz	RQAWUJFSOKXWTA-USXIJHARSA-N	1	0	357.454	1.372	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCS2(=O)=O)C[C@H]1c1ccccc1	ZINC001211725949	809386278	/nfs/dbraw/zinc/38/62/78/809386278.db2.gz	BFZSWFAWULLBCM-RCCFBDPRSA-N	1	0	360.479	1.171	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2noc3c2COCC3)C[C@H]1c1ccccc1	ZINC001211726211	809398859	/nfs/dbraw/zinc/39/88/59/809398859.db2.gz	QAQURJLSXYNYRD-FUHWJXTLSA-N	1	0	365.433	1.968	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc2)C[C@@H](C)O1	ZINC000424100361	815306918	/nfs/dbraw/zinc/30/69/18/815306918.db2.gz	KNNMZVTWKFEKRU-CPUCHLNUSA-N	1	0	358.442	1.896	20	30		FDEDRO
O=C(NCC#Cc1ccccc1)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1	ZINC000419116874	809588796	/nfs/dbraw/zinc/58/87/96/809588796.db2.gz	PHJMCGOVEBIQOE-RTBURBONSA-N	1	0	353.466	1.535	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)c2)C[C@H]1c1ccccc1	ZINC001211729751	809674097	/nfs/dbraw/zinc/67/40/97/809674097.db2.gz	IDEBOCCDTXGFHF-VQTJNVASSA-N	1	0	350.466	1.960	20	30		FDEDRO
C[C@@H](CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC#N)C1)C1CC1	ZINC001211732530	809796973	/nfs/dbraw/zinc/79/69/73/809796973.db2.gz	MMJJFCPDQAJOQY-ZYSHUDEJSA-N	1	0	368.481	1.647	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)N(C)C2)C[C@H]1c1ccccc1	ZINC001211732496	809801302	/nfs/dbraw/zinc/80/13/02/809801302.db2.gz	KISKWTGFCJPASQ-GBESFXJTSA-N	1	0	353.466	1.462	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1	ZINC001087444005	809807036	/nfs/dbraw/zinc/80/70/36/809807036.db2.gz	RJPZRQLQGVJWKL-QZTJIDSGSA-N	1	0	368.481	1.888	20	30		FDEDRO
CC(C)(C)c1nc(CN2CCCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)no1	ZINC000424171735	815322756	/nfs/dbraw/zinc/32/27/56/815322756.db2.gz	JHPSDPAGPJYPAH-CQSZACIVSA-N	1	0	362.478	1.423	20	30		FDEDRO
Cn1cc(-c2nc([C@@H]3CCCCCN3C(=O)[C@@H]([NH3+])CCCC#N)no2)cn1	ZINC000424184630	815320122	/nfs/dbraw/zinc/32/01/22/815320122.db2.gz	DJEUUDKIYAPHKF-GJZGRUSLSA-N	1	0	371.445	1.935	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1)C1CC1	ZINC000473438343	809886161	/nfs/dbraw/zinc/88/61/61/809886161.db2.gz	OHEQWFONKCBCIW-QZTJIDSGSA-N	1	0	354.454	1.506	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CCCC)NC(N)=O)C[C@H]1c1ccccc1	ZINC001211736140	809925661	/nfs/dbraw/zinc/92/56/61/809925661.db2.gz	JSBCTXOEHUDOFF-IPMKNSEASA-N	1	0	370.497	1.821	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)C(N)=O)C[C@H]1c1ccccc1	ZINC001211745810	809985427	/nfs/dbraw/zinc/98/54/27/809985427.db2.gz	JRHKMWWWSUQQCZ-CEXWTWQISA-N	1	0	355.482	1.742	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC1	ZINC000780932442	810025950	/nfs/dbraw/zinc/02/59/50/810025950.db2.gz	ODKHASLLQQWGSX-RBUKOAKNSA-N	1	0	356.470	1.220	20	30		FDEDRO
C#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCCNC2=O)C1	ZINC001087455894	810070586	/nfs/dbraw/zinc/07/05/86/810070586.db2.gz	UGPHZBNODCIVBY-FGTMMUONSA-N	1	0	357.429	1.259	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc(C)nc3C2)C[C@H]1C(F)(F)F	ZINC001112121328	810070992	/nfs/dbraw/zinc/07/09/92/810070992.db2.gz	HFPRNQIBDDBYES-RBSFLKMASA-N	1	0	368.403	1.756	20	30		FDEDRO
CC#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1	ZINC001087457789	810217446	/nfs/dbraw/zinc/21/74/46/810217446.db2.gz	RGWPTFXYMZWHRZ-SJLPKXTDSA-N	1	0	368.412	1.520	20	30		FDEDRO
CC#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[C@@H]2CCC(=O)N2)C1	ZINC001087458708	810291894	/nfs/dbraw/zinc/29/18/94/810291894.db2.gz	QHPWZJOTPUEVEY-IPMKNSEASA-N	1	0	371.456	1.792	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+](C)C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1=O	ZINC000419296191	810349797	/nfs/dbraw/zinc/34/97/97/810349797.db2.gz	RKFVPLVHSIUWQF-MAUKXSAKSA-N	1	0	373.453	1.030	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C(N)=O)cc4)C[C@H]32)[nH]1	ZINC001075698622	815365035	/nfs/dbraw/zinc/36/50/35/815365035.db2.gz	DIAIVNWLRDSMEV-MAUKXSAKSA-N	1	0	363.421	1.332	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cnn(C)n2)C1	ZINC001087459144	810420809	/nfs/dbraw/zinc/42/08/09/810420809.db2.gz	OWZPVZNVCNRTAM-SJLPKXTDSA-N	1	0	355.417	1.565	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000982610674	810550762	/nfs/dbraw/zinc/55/07/62/810550762.db2.gz	IXXCXRHSLZOWQQ-JLJPHGGASA-N	1	0	357.458	1.195	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@]34C[C@H]3COC4)C2)cc1	ZINC001028554213	810647145	/nfs/dbraw/zinc/64/71/45/810647145.db2.gz	YWQHOXMDXYTWHC-ZWOKBUDYSA-N	1	0	355.438	1.564	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)[C@@H]2C1	ZINC000894186787	810859516	/nfs/dbraw/zinc/85/95/16/810859516.db2.gz	UTRYFUHWQVUJEY-GBJTYRQASA-N	1	0	363.462	1.091	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ncccc4C)[C@@H]3C2)C1=O	ZINC001075668049	811040786	/nfs/dbraw/zinc/04/07/86/811040786.db2.gz	BBSVPDCQZLGLOD-YESZJQIVSA-N	1	0	354.454	1.323	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCc4ccccc43)C[C@@H]2O)c1	ZINC001083390052	811175744	/nfs/dbraw/zinc/17/57/44/811175744.db2.gz	AFXVKAFNPLDCRB-QRVBRYPASA-N	1	0	350.422	1.739	20	30		FDEDRO
CC(C)c1ccccc1C[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1	ZINC001083390248	811177644	/nfs/dbraw/zinc/17/76/44/811177644.db2.gz	IKHOSTATUSIBMF-MOPGFXCFSA-N	1	0	352.438	1.985	20	30		FDEDRO
C[NH+]=C(NCc1cnn(C)c1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1	ZINC000261700939	811300547	/nfs/dbraw/zinc/30/05/47/811300547.db2.gz	GEVUPIGDOSSKCO-UHFFFAOYSA-N	1	0	374.876	1.493	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCOc2ccccc21)N1CCO[C@@H](c2cnn(C)c2)C1	ZINC000261783814	811319792	/nfs/dbraw/zinc/31/97/92/811319792.db2.gz	POWIEUMABMTSRA-HNAYVOBHSA-N	1	0	369.469	1.935	20	30		FDEDRO
CC[NH+]=C(NCc1ccc2c(c1)OCO2)N1CCN(C[C@H]2CCOC2)CC1	ZINC000261800537	811322040	/nfs/dbraw/zinc/32/20/40/811322040.db2.gz	RRJAPFHKOKNWGM-QGZVFWFLSA-N	1	0	374.485	1.535	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCOc2ccccc21)N1CCN(C[C@H]2CCOC2)CC1	ZINC000261856748	811332246	/nfs/dbraw/zinc/33/22/46/811332246.db2.gz	XYHLAMUJLDGTBL-QZTJIDSGSA-N	1	0	372.513	1.782	20	30		FDEDRO
NC(=O)c1cnn2c1C[C@@H](CNC(=[NH2+])Nc1ccc3c(c1)CCC3)CC2	ZINC000261950273	811351352	/nfs/dbraw/zinc/35/13/52/811351352.db2.gz	PKDPVWOKYUOVOC-LBPRGKRZSA-N	1	0	352.442	1.460	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1	ZINC001087464943	811401782	/nfs/dbraw/zinc/40/17/82/811401782.db2.gz	NAPHGCHOIOYUJY-CGTJXYLNSA-N	1	0	359.445	1.764	20	30		FDEDRO
CN(C)C(=O)CNC(=[NH+]C1CCOCC1)N1CC[C@H](c2ccccc2)C1	ZINC000262279481	811431631	/nfs/dbraw/zinc/43/16/31/811431631.db2.gz	ISYJLQURPINHJO-KRWDZBQOSA-N	1	0	358.486	1.689	20	30		FDEDRO
C[NH+]=C(NCC(=O)N1CCCc2ccccc21)NC[C@H](O)c1ccc(C)o1	ZINC000262427450	811465301	/nfs/dbraw/zinc/46/53/01/811465301.db2.gz	RHVBWQHVVQEGFS-KRWDZBQOSA-N	1	0	370.453	1.766	20	30		FDEDRO
C[NH+]=C(NC[C@H](O)C1CCCCC1)N[C@@H]1CCCN(c2ncccn2)C1	ZINC000262767434	811548248	/nfs/dbraw/zinc/54/82/48/811548248.db2.gz	GNWVIPVNOXZMFW-SJORKVTESA-N	1	0	360.506	1.552	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1	ZINC000982870055	811763359	/nfs/dbraw/zinc/76/33/59/811763359.db2.gz	GJEGJYPFYZZOKN-BBWFWOEESA-N	1	0	363.502	1.417	20	30		FDEDRO
CC[NH+]=C(NCc1cccc(C)c1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1	ZINC000261805254	811879788	/nfs/dbraw/zinc/87/97/88/811879788.db2.gz	RXYXXAZEWSOOGX-HXUWFJFHSA-N	1	0	371.485	1.771	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cncc(F)c4)[C@@H]3C2)C1=O	ZINC001075681116	812069806	/nfs/dbraw/zinc/06/98/06/812069806.db2.gz	YHASQBSYLFMHCO-RRQGHBQHSA-N	1	0	358.417	1.154	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1	ZINC000420103856	813460006	/nfs/dbraw/zinc/46/00/06/813460006.db2.gz	OSEWFFYHCHHUPF-FQEVSTJZSA-N	1	0	354.454	1.579	20	30		FDEDRO
CC[NH+]=C(NCC1(C2CC2)CC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1	ZINC000261813823	813462723	/nfs/dbraw/zinc/46/27/23/813462723.db2.gz	SXELECCBPXWCIN-GOSISDBHSA-N	1	0	361.490	1.452	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1	ZINC000420189798	813541752	/nfs/dbraw/zinc/54/17/52/813541752.db2.gz	OQFWWQLHVDWCPF-DDBAPUKQSA-N	1	0	354.454	1.528	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)CN1CCCN(C2CC[NH+](CC)CC2)CC1	ZINC000420983632	813893837	/nfs/dbraw/zinc/89/38/37/813893837.db2.gz	QXTYUZPATOCGCP-SFHVURJKSA-N	1	0	363.550	1.487	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)CN1CCCN(C2CC[NH+](CC)CC2)CC1	ZINC000420983631	813894039	/nfs/dbraw/zinc/89/40/39/813894039.db2.gz	QXTYUZPATOCGCP-GOSISDBHSA-N	1	0	363.550	1.487	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc2c(c1)CC(=O)N2C	ZINC000271798007	814480046	/nfs/dbraw/zinc/48/00/46/814480046.db2.gz	JKCJBDJHLQGZHJ-CQSZACIVSA-N	1	0	353.426	1.512	20	30		FDEDRO
Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(C)CCOCCO)c1C#N	ZINC000503261045	814806877	/nfs/dbraw/zinc/80/68/77/814806877.db2.gz	LCVKCSOTZIHXAL-UHFFFAOYSA-N	1	0	374.441	1.497	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1	ZINC000983318445	815748528	/nfs/dbraw/zinc/74/85/28/815748528.db2.gz	ZQPLLGHRBJVWAA-ZACQAIPSSA-N	1	0	361.486	1.171	20	30		FDEDRO
Cc1noc(CCC[N@@H+]2C[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)n1	ZINC001075710148	815770651	/nfs/dbraw/zinc/77/06/51/815770651.db2.gz	XWSRHJXANGCJNI-XJKSGUPXSA-N	1	0	354.414	1.357	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc5nonc5c4)C[C@H]32)c[nH]1	ZINC001075709932	815775793	/nfs/dbraw/zinc/77/57/93/815775793.db2.gz	UEOKKDGYFSLSQW-SCLBCKFNSA-N	1	0	362.393	1.769	20	30		FDEDRO
N#CCCn1cc(C[NH2+][C@@H]2CCc3nnnn3CC2)c(-c2ccccc2)n1	ZINC000514595452	815895767	/nfs/dbraw/zinc/89/57/67/815895767.db2.gz	DHKHVTPUPMSHDX-QGZVFWFLSA-N	1	0	362.441	1.945	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1	ZINC001087466062	815898350	/nfs/dbraw/zinc/89/83/50/815898350.db2.gz	XMZHIMAESFYJDH-CGTJXYLNSA-N	1	0	359.445	1.812	20	30		FDEDRO
C[C@@]1(NC(=O)NCCn2cnc(C#N)n2)CC[N@H+](Cc2ccccc2)C1	ZINC000514864946	816018919	/nfs/dbraw/zinc/01/89/19/816018919.db2.gz	BRNOWSKPWQFJLO-GOSISDBHSA-N	1	0	353.430	1.114	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCCNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C[C@H](C)O1	ZINC000505735781	816282601	/nfs/dbraw/zinc/28/26/01/816282601.db2.gz	IGDSCGYVHHYAST-ZRGWGRIASA-N	1	0	367.490	1.864	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)NCCCN1CC[NH+](C)CC1	ZINC000505819704	816505614	/nfs/dbraw/zinc/50/56/14/816505614.db2.gz	TYFCAZFQZWZBAK-UHFFFAOYSA-N	1	0	358.486	1.497	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)cc1	ZINC000425544564	816507585	/nfs/dbraw/zinc/50/75/85/816507585.db2.gz	PVYSCBPDMNUMOG-UYAOXDASSA-N	1	0	374.481	1.845	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[NH2+][C@H](C1CCOCC1)C1(CO)CCC1	ZINC000425545208	816510387	/nfs/dbraw/zinc/51/03/87/816510387.db2.gz	QQTORXQMRYSNTJ-GOSISDBHSA-N	1	0	362.474	1.190	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1	ZINC000505878715	816716295	/nfs/dbraw/zinc/71/62/95/816716295.db2.gz	YGXCTEULUDNPTH-UHFFFAOYSA-N	1	0	372.513	1.886	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccc(C[NH+](CC)CC)cc1	ZINC000425858053	817241623	/nfs/dbraw/zinc/24/16/23/817241623.db2.gz	CBPORBMXVXEOSI-OALUTQOASA-N	1	0	373.497	1.852	20	30		FDEDRO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1	ZINC000425867604	817251596	/nfs/dbraw/zinc/25/15/96/817251596.db2.gz	HOBSXRTUYIBPIE-IFXJQAMLSA-N	1	0	374.510	1.631	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000425872571	817265648	/nfs/dbraw/zinc/26/56/48/817265648.db2.gz	OMNKNOLOBYULBZ-ZTFGCOKTSA-N	1	0	354.454	1.821	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1	ZINC000425869670	817271543	/nfs/dbraw/zinc/27/15/43/817271543.db2.gz	KFLAHCRQLPNCFO-JKSUJKDBSA-N	1	0	356.470	1.926	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1	ZINC000425882439	817300370	/nfs/dbraw/zinc/30/03/70/817300370.db2.gz	LYQYKLYNPIHPDS-NJAFHUGGSA-N	1	0	373.497	1.939	20	30		FDEDRO
C=CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1	ZINC001087467423	817819080	/nfs/dbraw/zinc/81/90/80/817819080.db2.gz	WKRXKWLZMOZOPV-IXDOHACOSA-N	1	0	360.433	1.357	20	30		FDEDRO
C[NH+]=C(NCCNC(=O)c1ccc(OC)cc1)N1CC[C@@]2(CCOC2)C1	ZINC000261970654	817870150	/nfs/dbraw/zinc/87/01/50/817870150.db2.gz	MRKFOZSDOLRGJZ-LJQANCHMSA-N	1	0	360.458	1.113	20	30		FDEDRO
C#CCN1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1	ZINC001087470814	818036956	/nfs/dbraw/zinc/03/69/56/818036956.db2.gz	YJPVWHVPFVFQIA-OTWHNJEPSA-N	1	0	369.465	1.271	20	30		FDEDRO
Cc1nc(C(=O)N(Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)ccc1C#N	ZINC000519548627	818089943	/nfs/dbraw/zinc/08/99/43/818089943.db2.gz	UWUDYLNWVKKTTK-QGZVFWFLSA-N	1	0	364.453	1.780	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)Cc2cc[nH]n2)C1	ZINC001087473521	818215885	/nfs/dbraw/zinc/21/58/85/818215885.db2.gz	IYXPFPNOSANBAB-PMACEKPBSA-N	1	0	366.465	1.958	20	30		FDEDRO
CCC[NH+]1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1	ZINC000473778467	818333745	/nfs/dbraw/zinc/33/37/45/818333745.db2.gz	VBGCAAUEEQNBFE-SFHVURJKSA-N	1	0	354.454	1.603	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2cnn(C)n2)C1	ZINC001087475824	818338150	/nfs/dbraw/zinc/33/81/50/818338150.db2.gz	FDTFOHSGFGDJKX-HKUYNNGSSA-N	1	0	369.469	1.988	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CCc3ncnn32)C1	ZINC000983697284	818595935	/nfs/dbraw/zinc/59/59/35/818595935.db2.gz	FFJUOSKAGXAFIA-VIQHNZTISA-N	1	0	359.474	1.231	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnc(C(C)C)[nH]2)C1	ZINC000983697287	818596085	/nfs/dbraw/zinc/59/60/85/818596085.db2.gz	FHBYOJFASDPFBH-FPCVCCKLSA-N	1	0	361.490	1.894	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1	ZINC000519606395	818764666	/nfs/dbraw/zinc/76/46/66/818764666.db2.gz	QZUUVRNWEXONEB-KSZLIROESA-N	1	0	365.518	1.712	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cncn2)C1	ZINC001112152196	819254304	/nfs/dbraw/zinc/25/43/04/819254304.db2.gz	MPEKKWOWAXIMAS-MGPQQGTHSA-N	1	0	359.396	1.859	20	30		FDEDRO
N#Cc1cnn2c1NC[C@@H](C[NH2+]CC(=O)N[C@@H]1CCOc3ccccc31)C2	ZINC000520230245	819262422	/nfs/dbraw/zinc/26/24/22/819262422.db2.gz	HYFBTLRCOIWCOZ-CZUORRHYSA-N	1	0	366.425	1.026	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)C1	ZINC000328647771	819521757	/nfs/dbraw/zinc/52/17/57/819521757.db2.gz	ADKMPOVFDLMRBZ-HUUCEWRRSA-N	1	0	362.478	1.151	20	30		FDEDRO
O=C(CN1C[C@@H]2COC[C@H](C1)O2)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000328661421	819525241	/nfs/dbraw/zinc/52/52/41/819525241.db2.gz	ACWPZSRDBXNCPL-CALCHBBNSA-N	1	0	367.490	1.078	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@@H]3CCCn4cc(C)nc43)C2)CC1	ZINC000328662704	819525262	/nfs/dbraw/zinc/52/52/62/819525262.db2.gz	XMOPZOZVCYGTCN-ZWKOTPCHSA-N	1	0	374.533	1.695	20	30		FDEDRO
Cc1cc([C@@H]2CCCN(C(=O)N[C@@H](C)CC[NH+]3CCN(C)CC3)C2)[nH]n1	ZINC000328755123	819545234	/nfs/dbraw/zinc/54/52/34/819545234.db2.gz	SSLWLMFBDXLVDK-DOTOQJQBSA-N	1	0	362.522	1.838	20	30		FDEDRO
CC1CC[NH+](C[C@H](O)CNC(=O)c2cncc(N3CCOCC3)c2)CC1	ZINC000328832225	819560787	/nfs/dbraw/zinc/56/07/87/819560787.db2.gz	VJAXOFOCNOLVJG-GOSISDBHSA-N	1	0	362.474	1.316	20	30		FDEDRO
CC(C)CC(=O)N1CCC(NC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)CC1	ZINC000328845102	819564370	/nfs/dbraw/zinc/56/43/70/819564370.db2.gz	AAYIMSJBKMFFPL-SJORKVTESA-N	1	0	366.506	1.342	20	30		FDEDRO
Cn1ccnc1[C@H]1CCN(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C1	ZINC000328871270	819573574	/nfs/dbraw/zinc/57/35/74/819573574.db2.gz	PYKPQESKYBFZJX-INIZCTEOSA-N	1	0	374.533	1.682	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2C(=O)CC3(CCCC3)C2=O)C1	ZINC000328984719	819605102	/nfs/dbraw/zinc/60/51/02/819605102.db2.gz	GESCBIVVZLJMTF-HNNXBMFYSA-N	1	0	365.474	1.619	20	30		FDEDRO
CC(C)C(=O)NC[C@@H]1CCCN(C(=O)NCC(C)(C)N2CCOCC2)C1	ZINC000330451134	819614888	/nfs/dbraw/zinc/61/48/88/819614888.db2.gz	UHZSJYXKSOEVNF-INIZCTEOSA-N	1	0	368.522	1.495	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2CN(CC(=O)N3CCCCCCC3)C[C@H]21	ZINC001075780078	819615045	/nfs/dbraw/zinc/61/50/45/819615045.db2.gz	AYVQLYIEWNZXFA-RBUKOAKNSA-N	1	0	357.498	1.725	20	30		FDEDRO
CC[C@H]1CN(C(=O)c2cccc(NC(=O)N(C)C)c2)CC[N@@H+]1C[C@@H](C)O	ZINC000330699456	819631185	/nfs/dbraw/zinc/63/11/85/819631185.db2.gz	XPKASZBASLVDFH-PBHICJAKSA-N	1	0	362.474	1.711	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3ccccc32)C[C@H]1C(F)(F)F	ZINC001112154345	819723502	/nfs/dbraw/zinc/72/35/02/819723502.db2.gz	HEXUFHWYJROCFO-GVDBMIGSSA-N	1	0	366.383	1.955	20	30		FDEDRO
CO[C@H]1COCC[C@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000458976765	819759381	/nfs/dbraw/zinc/75/93/81/819759381.db2.gz	DBIUEJYIJDTRNH-OALUTQOASA-N	1	0	374.485	1.683	20	30		FDEDRO
O=C(C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1C1CC1)NCC#Cc1ccccc1	ZINC001167999331	819847201	/nfs/dbraw/zinc/84/72/01/819847201.db2.gz	VHJGPOUOUWLTKJ-RBUKOAKNSA-N	1	0	353.466	1.296	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)c3ccc(C[NH+](C)C)nc3)CC2)c1C#N	ZINC000427590307	820014456	/nfs/dbraw/zinc/01/44/56/820014456.db2.gz	YZVGBGABYZFJKP-UHFFFAOYSA-N	1	0	370.482	1.742	20	30		FDEDRO
C=CCC1(NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CCCC1	ZINC000665127357	820211066	/nfs/dbraw/zinc/21/10/66/820211066.db2.gz	DEEOFJXINUOGGC-UHFFFAOYSA-N	1	0	364.534	1.971	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C	ZINC000665151010	820366220	/nfs/dbraw/zinc/36/62/20/820366220.db2.gz	NMFGKTQQCIHCPZ-GOSISDBHSA-N	1	0	360.502	1.835	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1	ZINC000441780819	820590696	/nfs/dbraw/zinc/59/06/96/820590696.db2.gz	XXBANIMFINPXEP-UHFFFAOYSA-N	1	0	358.442	1.742	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)c2cc(C#N)c[nH]2)C1	ZINC000984078096	820733810	/nfs/dbraw/zinc/73/38/10/820733810.db2.gz	YRQWELPPGMNGPT-VYDXJSESSA-N	1	0	371.485	1.585	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1CC(=O)N1CCCC[C@H]1C	ZINC001087534574	820868301	/nfs/dbraw/zinc/86/83/01/820868301.db2.gz	BNFQUCCEFIZFPH-UWWQBHOKSA-N	1	0	371.485	1.870	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1CCn1nc(C)nc1C	ZINC001087535145	820904053	/nfs/dbraw/zinc/90/40/53/820904053.db2.gz	WOUVVBJDCYYTGE-DOTOQJQBSA-N	1	0	355.446	1.378	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1(C)C	ZINC000508315544	820927859	/nfs/dbraw/zinc/92/78/59/820927859.db2.gz	IXPPGKNTZLJBLU-GOSISDBHSA-N	1	0	353.470	1.383	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000984120237	820996032	/nfs/dbraw/zinc/99/60/32/820996032.db2.gz	ZEYKAUDVUHDAEJ-XOKHGSTOSA-N	1	0	357.458	1.290	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3cccnc3)[C@H]2CC)C1=O	ZINC001087542641	821169715	/nfs/dbraw/zinc/16/97/15/821169715.db2.gz	XHMBIQDJVWPSQO-RCCFBDPRSA-N	1	0	356.470	1.380	20	30		FDEDRO
C[C@H](C#N)CNC(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000521657913	821327810	/nfs/dbraw/zinc/32/78/10/821327810.db2.gz	RIZKXIOFLZDICX-MJGOQNOKSA-N	1	0	355.486	1.748	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCCN(CCOC)c2ncccc2C#N)CC[N@@H+]1C	ZINC001126537926	821392302	/nfs/dbraw/zinc/39/23/02/821392302.db2.gz	JGAYBUUXPWGMCO-DLBZAZTESA-N	1	0	359.474	1.253	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(C(=O)NCc2ccc(C#N)cc2)CC1	ZINC000474049604	821593275	/nfs/dbraw/zinc/59/32/75/821593275.db2.gz	AFNYKOZAVVPRBV-UHFFFAOYSA-N	1	0	351.410	1.994	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)[C@H]1CC	ZINC001087607911	821720715	/nfs/dbraw/zinc/72/07/15/821720715.db2.gz	FSYHYAACNNSWLB-HCXYKTFWSA-N	1	0	358.486	1.880	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2COCCN2CC)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087633238	821842284	/nfs/dbraw/zinc/84/22/84/821842284.db2.gz	SGWJJGZESDEAFI-ZCNNSNEGSA-N	1	0	370.497	1.748	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087635654	821855821	/nfs/dbraw/zinc/85/58/21/821855821.db2.gz	JBZSMRVUPDWYFB-FGTMMUONSA-N	1	0	354.454	1.554	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccnnc3C)[C@H]2CC)C1=O	ZINC001087643045	821887797	/nfs/dbraw/zinc/88/77/97/821887797.db2.gz	WKVCUISGKPFUMU-GVDBMIGSSA-N	1	0	357.458	1.155	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)CN2CCCNC2=O)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087639793	821907988	/nfs/dbraw/zinc/90/79/88/821907988.db2.gz	SFMMUYASWIITLS-RBUKOAKNSA-N	1	0	368.481	1.423	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CC[N@@H+]1Cc1ccc(OC)c(C#N)c1	ZINC001087685210	822030809	/nfs/dbraw/zinc/03/08/09/822030809.db2.gz	GOMUEVLJORLKEF-IXDOHACOSA-N	1	0	370.453	1.172	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)n2C)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087686580	822037550	/nfs/dbraw/zinc/03/75/50/822037550.db2.gz	NLZVWHXAOOLNIF-JKSUJKDBSA-N	1	0	353.426	1.780	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CCN3CCCS3(=O)=O)[C@@H]2CC)C1	ZINC001087718173	822182153	/nfs/dbraw/zinc/18/21/53/822182153.db2.gz	ZZPRSIZHUMRTSK-JKSUJKDBSA-N	1	0	369.531	1.347	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@]2(C)CCNC2=O)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087723171	822214238	/nfs/dbraw/zinc/21/42/38/822214238.db2.gz	FQPGVWGKFMUBBD-HDMKZQKVSA-N	1	0	360.483	1.615	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCn2nc(C)nc2C)[C@@H]1CC	ZINC001087732091	822275754	/nfs/dbraw/zinc/27/57/54/822275754.db2.gz	AMPLHOYGKXOZTH-XDNAFOTISA-N	1	0	361.490	1.455	20	30		FDEDRO
COC(=O)COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCC2)cc1	ZINC000469787647	822408121	/nfs/dbraw/zinc/40/81/21/822408121.db2.gz	QSQARIKFNZYFHC-UONOGXRCSA-N	1	0	359.426	1.840	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@H]1C(F)(F)F	ZINC001112167783	822442596	/nfs/dbraw/zinc/44/25/96/822442596.db2.gz	FHYHJEJCVCKMNP-AAVRWANBSA-N	1	0	354.376	1.526	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cn(C)nc3C)[C@@H]2CC)nc1	ZINC001087800090	822459019	/nfs/dbraw/zinc/45/90/19/822459019.db2.gz	CEEFFSLJPDZFKX-PKOBYXMFSA-N	1	0	351.454	1.888	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C[C@@H]3CCNC(=O)CC3)[C@@H]2CC)cn1	ZINC001087801372	822461209	/nfs/dbraw/zinc/46/12/09/822461209.db2.gz	LLPZQGUQYTXVGN-ZYSHUDEJSA-N	1	0	368.481	1.562	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C[C@H]3CCc4ncnn43)[C@@H]2CC)cn1	ZINC001087801632	822461504	/nfs/dbraw/zinc/46/15/04/822461504.db2.gz	YYTBQAJGGDTBSF-FGTMMUONSA-N	1	0	364.453	1.425	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N2)CC[N@@H+]1Cc1ccc(OC)c(C#N)c1	ZINC001087802838	822462980	/nfs/dbraw/zinc/46/29/80/822462980.db2.gz	NTEGKXJAXXDOQR-YESZJQIVSA-N	1	0	370.453	1.315	20	30		FDEDRO
N#Cc1cc(S(N)(=O)=O)ccc1N[C@H]1CCC[N@@H+]2CCSC[C@H]12	ZINC000895571787	822654687	/nfs/dbraw/zinc/65/46/87/822654687.db2.gz	OURUSGQXQAJEMJ-LSDHHAIUSA-N	1	0	352.485	1.197	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)cc1	ZINC000474260432	822670848	/nfs/dbraw/zinc/67/08/48/822670848.db2.gz	UAPIUNLYEWXKKR-GOSISDBHSA-N	1	0	370.453	1.001	20	30		FDEDRO
C[C@@H](CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[NH+](C)C	ZINC000895682721	822701812	/nfs/dbraw/zinc/70/18/12/822701812.db2.gz	WZYTWNSPNJNITR-MLBPIDQTSA-N	1	0	364.490	1.840	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+][C@H]3C(=O)NCC34CCOCC4)CC2)cc1	ZINC000895770913	822736170	/nfs/dbraw/zinc/73/61/70/822736170.db2.gz	HLVRADMQIDZNIA-IBGZPJMESA-N	1	0	368.481	1.407	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3cnc(C(F)(F)F)nc3)CC[C@@H]2C1	ZINC001087912092	823778859	/nfs/dbraw/zinc/77/88/59/823778859.db2.gz	WZNFIMQTPSPJEM-YUTCNCBUSA-N	1	0	367.375	1.935	20	30		FDEDRO
Cc1nccnc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C1	ZINC001087924923	823934731	/nfs/dbraw/zinc/93/47/31/823934731.db2.gz	PDXLWKAJBOMTDJ-CVEARBPZSA-N	1	0	350.426	1.579	20	30		FDEDRO
COc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]3C2)sn1	ZINC001087925408	823937599	/nfs/dbraw/zinc/93/75/99/823937599.db2.gz	LQMNTNQKRBHSPO-KGLIPLIRSA-N	1	0	371.466	1.946	20	30		FDEDRO
Cc1cc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]3C2)n1	ZINC001087938906	824018259	/nfs/dbraw/zinc/01/82/59/824018259.db2.gz	PQJIBGZVCHSZNM-SJORKVTESA-N	1	0	366.469	1.794	20	30		FDEDRO
Cc1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]3C2)cn1	ZINC001087940704	824038165	/nfs/dbraw/zinc/03/81/65/824038165.db2.gz	UHBDJMQOKWUDBP-WBVHZDCISA-N	1	0	350.426	1.579	20	30		FDEDRO
Cn1ncc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)CC[C@@H]3C2)c1N	ZINC001087943423	824055687	/nfs/dbraw/zinc/05/56/87/824055687.db2.gz	YOLWLXBNPNWNDR-SJORKVTESA-N	1	0	364.453	1.468	20	30		FDEDRO
Cn1nccc1CC(=O)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001087948720	824083621	/nfs/dbraw/zinc/08/36/21/824083621.db2.gz	RJOWVMUWGOURTF-UXHICEINSA-N	1	0	362.477	1.795	20	30		FDEDRO
Cn1nccc1CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)CC[C@@H]2C1	ZINC001087948743	824083727	/nfs/dbraw/zinc/08/37/27/824083727.db2.gz	SFKQSMIGNKMYRO-CABCVRRESA-N	1	0	369.494	1.876	20	30		FDEDRO
O=C(C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1C1CCC1)NCC#Cc1ccccc1	ZINC001168038234	824144913	/nfs/dbraw/zinc/14/49/13/824144913.db2.gz	JDDMDSAHOCSTFT-VQTJNVASSA-N	1	0	367.493	1.686	20	30		FDEDRO
Cn1cnc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4)CC[C@@H]3C2)n1	ZINC001087957378	824154542	/nfs/dbraw/zinc/15/45/42/824154542.db2.gz	ODCUGHXPLZUYLS-SJORKVTESA-N	1	0	350.426	1.281	20	30		FDEDRO
CC1CCC(NC(=O)C[N@@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)CC1	ZINC001087961909	824182986	/nfs/dbraw/zinc/18/29/86/824182986.db2.gz	PGZDMUUXGLGTAU-BUGOSIMFSA-N	1	0	371.525	1.875	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)CO[C@@H]4CCOC4)C[C@@H]3C2)c1	ZINC001087964342	824217472	/nfs/dbraw/zinc/21/74/72/824217472.db2.gz	HHGZPBZVHQHPFY-HSALFYBXSA-N	1	0	369.465	1.644	20	30		FDEDRO
Cn1ncc(C(=O)N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)c1C#N	ZINC000475646289	828625250	/nfs/dbraw/zinc/62/52/50/828625250.db2.gz	BKWBMQAWHFJMDV-UHFFFAOYSA-N	1	0	366.469	1.182	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CC[C@@H]3[C@@H]1CCC[N@H+]3CCO)C2	ZINC000896264025	824261561	/nfs/dbraw/zinc/26/15/61/824261561.db2.gz	LVPIOPDZRDKUCE-QRVBRYPASA-N	1	0	354.454	1.266	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C(F)(F)F)nn3C)C[C@@H]2C1	ZINC001087976842	824325377	/nfs/dbraw/zinc/32/53/77/824325377.db2.gz	DWITWCMFHSGEEY-OLZOCXBDSA-N	1	0	354.376	1.856	20	30		FDEDRO
N#CCOc1cccc(NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000729557069	824395524	/nfs/dbraw/zinc/39/55/24/824395524.db2.gz	VFYVZNYOUCYHTC-CQSZACIVSA-N	1	0	359.430	1.298	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CC[C@H]2CC[C@H](C3OCCO3)O2)CC1	ZINC000896520381	824475840	/nfs/dbraw/zinc/47/58/40/824475840.db2.gz	IYZWTYBVVUKYPU-IAGOWNOFSA-N	1	0	350.459	1.291	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1NC[C@H]1CC[N@@H+]1C1CCOCC1	ZINC000896525890	824481550	/nfs/dbraw/zinc/48/15/50/824481550.db2.gz	QIZIVDSNLJPXFO-MRXNPFEDSA-N	1	0	365.499	1.816	20	30		FDEDRO
C[C@H](NC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000329059231	824549998	/nfs/dbraw/zinc/54/99/98/824549998.db2.gz	NBDTWLLVKCBDOP-DIECFANBSA-N	1	0	363.506	1.856	20	30		FDEDRO
C=CC[N@@H+](C)CCN(CC)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)OC	ZINC000429712072	828667222	/nfs/dbraw/zinc/66/72/22/828667222.db2.gz	RJLKLFXMEIZZAR-IBGZPJMESA-N	1	0	373.497	1.553	20	30		FDEDRO
Cc1nc(Cn2nnc(NC(=O)N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)c2C)no1	ZINC000329142953	824625270	/nfs/dbraw/zinc/62/52/70/824625270.db2.gz	VIUBVQZEUCERAM-GWCFXTLKSA-N	1	0	360.422	1.040	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc3ccccc3c(=O)n2C)CC1	ZINC000329170506	824644747	/nfs/dbraw/zinc/64/47/47/824644747.db2.gz	KBGZKNBJPFBFIE-HNNXBMFYSA-N	1	0	356.470	1.869	20	30		FDEDRO
CN1CCc2ccc(C(=O)NC3CC[NH+]([C@@H]4CCN(C)C4=O)CC3)cc21	ZINC000329188913	824653905	/nfs/dbraw/zinc/65/39/05/824653905.db2.gz	QPQRSSDNOZKFTL-QGZVFWFLSA-N	1	0	356.470	1.679	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccccc3N3C(=O)CCC3=O)[C@H]2C1	ZINC000329235717	824686317	/nfs/dbraw/zinc/68/63/17/824686317.db2.gz	IVGNPIWUCRXLFZ-BBRMVZONSA-N	1	0	356.426	1.912	20	30		FDEDRO
CCOc1cc(C)nc(N2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)n1	ZINC000329291187	824719688	/nfs/dbraw/zinc/71/96/88/824719688.db2.gz	IOZYHTNBOBXXSE-OAHLLOKOSA-N	1	0	374.489	1.456	20	30		FDEDRO
O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCOC[C@@H]1[C@H]1CCCO1	ZINC000329295894	824720314	/nfs/dbraw/zinc/72/03/14/824720314.db2.gz	SQSURBSRTBSLAT-CGTJXYLNSA-N	1	0	367.490	1.281	20	30		FDEDRO
Cn1nccc1[C@H]1[C@H](NC(=O)N2CCCC23CC[NH+](C)CC3)CC(=O)N1C	ZINC000329314123	824730981	/nfs/dbraw/zinc/73/09/81/824730981.db2.gz	GXQGKQFHYXSCQQ-RHSMWYFYSA-N	1	0	374.489	1.166	20	30		FDEDRO
Cn1cc(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)c(C(C)(C)C)n1	ZINC000329316455	824731318	/nfs/dbraw/zinc/73/13/18/824731318.db2.gz	DYZLCZGYIVNBGI-OAHLLOKOSA-N	1	0	361.490	1.717	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)C=C3CCC3)[C@H]2CC)CC1	ZINC000984757959	824742708	/nfs/dbraw/zinc/74/27/08/824742708.db2.gz	MLAUVRRIORUVDI-RBUKOAKNSA-N	1	0	357.498	1.938	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2cnc3c(c2)CCCC3)CC1	ZINC000329361252	824754996	/nfs/dbraw/zinc/75/49/96/824754996.db2.gz	CLFCULZZMDBQMJ-SFHVURJKSA-N	1	0	371.485	1.744	20	30		FDEDRO
CC(=O)Nc1c[nH]nc1[C@@H]1CCCN([C@H]2CCN(c3cnn(C)c3)C2=O)C1	ZINC000329364595	824756267	/nfs/dbraw/zinc/75/62/67/824756267.db2.gz	GBIJZABDXAQLQZ-CJNGLKHVSA-N	1	0	371.445	1.736	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cnc(OCC4CC4)cn3)CC2)C1=O	ZINC000329438732	824786731	/nfs/dbraw/zinc/78/67/31/824786731.db2.gz	MKGHIYIUVSUODA-MRXNPFEDSA-N	1	0	373.457	1.265	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)C12CC[NH+](CC1)C2	ZINC000984792511	824936030	/nfs/dbraw/zinc/93/60/30/824936030.db2.gz	KEPCNDCKNGHSDD-JKSUJKDBSA-N	1	0	355.442	1.091	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)[C@@]12CC[N@H+](C1)CCC2	ZINC000984793771	824939250	/nfs/dbraw/zinc/93/92/50/824939250.db2.gz	XQKKSUZIUXZXBF-QKLQHJQFSA-N	1	0	369.469	1.482	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2C[N@@H+](CCn3cccn3)CC[C@@H]2C1	ZINC001087992656	824955403	/nfs/dbraw/zinc/95/54/03/824955403.db2.gz	FJSBZTUOAOLDLP-MSOLQXFVSA-N	1	0	353.470	1.965	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnc(C3CC3)n2C)C1	ZINC000984823836	825026828	/nfs/dbraw/zinc/02/68/28/825026828.db2.gz	DAMFMEBVRHPSKF-MIGQKNRLSA-N	1	0	359.474	1.268	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3cn[nH]c(=O)c3)C[C@@H]2C1	ZINC001088004729	825130620	/nfs/dbraw/zinc/13/06/20/825130620.db2.gz	PQELTNYQTCYXRO-AEFFLSMTSA-N	1	0	363.421	1.648	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C[C@@H]2C1	ZINC001088012819	825257486	/nfs/dbraw/zinc/25/74/86/825257486.db2.gz	DDUVOZFPQSGBTR-BARDWOONSA-N	1	0	362.392	1.689	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C([O-])=[NH+][C@@H]2CCc3nc[nH]c3C2)CC1	ZINC000329696485	825323254	/nfs/dbraw/zinc/32/32/54/825323254.db2.gz	BVRDJHIFSIQVFP-IXDOHACOSA-N	1	0	374.533	1.671	20	30		FDEDRO
CCOc1ccnc(N2CCN(C(=O)N[C@H](C)C3=CC[N@H+](C)CC3)CC2)n1	ZINC000329707107	825344899	/nfs/dbraw/zinc/34/48/99/825344899.db2.gz	LHAOTQAQBKEZBZ-OAHLLOKOSA-N	1	0	374.489	1.562	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4c[nH]nc4CC)C[C@@H]3C2)C1=O	ZINC001088023246	825349677	/nfs/dbraw/zinc/34/96/77/825349677.db2.gz	VMWOMMIPIDBJMF-VKJFTORMSA-N	1	0	371.485	1.153	20	30		FDEDRO
C[C@@H]1C[C@H](CCNC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CCO1	ZINC000329723633	825383105	/nfs/dbraw/zinc/38/31/05/825383105.db2.gz	CVUDZQJEICYPBF-BRWVUGGUSA-N	1	0	366.506	1.344	20	30		FDEDRO
Cc1cc(N2CCC[C@H](NC(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)C2=O)n(C)n1	ZINC000329816059	825478462	/nfs/dbraw/zinc/47/84/62/825478462.db2.gz	VSGDIOMWHOJFGX-KFWWJZLASA-N	1	0	362.478	1.210	20	30		FDEDRO
O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)N1CC[C@H](CCO)C1	ZINC000329846468	825499336	/nfs/dbraw/zinc/49/93/36/825499336.db2.gz	YGPQPQHJUXKHSA-MRXNPFEDSA-N	1	0	361.486	1.762	20	30		FDEDRO
C[C@@H]1OCC[C@@]12CN(C(=O)NCC1([NH+]3CCCC3)CCOCC1)CCO2	ZINC000329893567	825525734	/nfs/dbraw/zinc/52/57/34/825525734.db2.gz	AXCRTGGMCHBONM-QFBILLFUSA-N	1	0	367.490	1.425	20	30		FDEDRO
C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H]1C[C@H](F)CN1c1cccnn1	ZINC000329903455	825535833	/nfs/dbraw/zinc/53/58/33/825535833.db2.gz	IJGPULLHGLWYGT-JYJNAYRXSA-N	1	0	364.469	1.771	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)C12CCOCC2	ZINC000329945708	825557569	/nfs/dbraw/zinc/55/75/69/825557569.db2.gz	FYLKZKOGJLGQKK-LTIDMASMSA-N	1	0	369.506	1.262	20	30		FDEDRO
CN1CCc2ccc(NC(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)cc2C1=O	ZINC000329946047	825557924	/nfs/dbraw/zinc/55/79/24/825557924.db2.gz	GDZHUWWQUYTNTG-OAHLLOKOSA-N	1	0	372.469	1.514	20	30		FDEDRO
CCCN1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1=O	ZINC000329985918	825577950	/nfs/dbraw/zinc/57/79/50/825577950.db2.gz	RKPQVPQUXDSUHH-SJORKVTESA-N	1	0	366.506	1.223	20	30		FDEDRO
Cn1ccnc1[C@@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)CCN1C	ZINC000329989862	825580065	/nfs/dbraw/zinc/58/00/65/825580065.db2.gz	INECRDOISUDJOI-JCYILVPMSA-N	1	0	362.522	1.743	20	30		FDEDRO
O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1cn([C@@H]2CCOC2)nn1	ZINC000330054413	825613641	/nfs/dbraw/zinc/61/36/41/825613641.db2.gz	RYDUXUDPDWLLCP-OAHLLOKOSA-N	1	0	363.462	1.579	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cncn4)nc3)C[C@@H]2C1	ZINC001088059921	825718623	/nfs/dbraw/zinc/71/86/23/825718623.db2.gz	BDESTHHSQUIHSJ-SJORKVTESA-N	1	0	350.426	1.080	20	30		FDEDRO
CC(=O)N1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[C@H](C)C1	ZINC000330211217	825736376	/nfs/dbraw/zinc/73/63/76/825736376.db2.gz	CWXMEVOAPNAMSK-OLMNPRSZSA-N	1	0	366.506	1.221	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+]([C@H]4CCCNC4=O)CC[C@@H]3C2)cc1	ZINC001088061922	825748253	/nfs/dbraw/zinc/74/82/53/825748253.db2.gz	FJEIZVFAGVLXKD-QYZOEREBSA-N	1	0	351.450	1.340	20	30		FDEDRO
CC(C)CN1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1=O	ZINC000330236314	825749423	/nfs/dbraw/zinc/74/94/23/825749423.db2.gz	AFAUQFYOZKOORZ-SJORKVTESA-N	1	0	366.506	1.078	20	30		FDEDRO
O=C(CN1CC[NH+](C[C@H]2CCOC2)CC1)Nc1ccc2c(c1)OCCO2	ZINC000330261660	825777947	/nfs/dbraw/zinc/77/79/47/825777947.db2.gz	PHHCPUDUIZBUFM-OAHLLOKOSA-N	1	0	361.442	1.700	20	30		FDEDRO
CNC(=O)[C@]1(C)CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1	ZINC000280886643	825807780	/nfs/dbraw/zinc/80/77/80/825807780.db2.gz	DCXPLRODIIEIBG-LJQANCHMSA-N	1	0	352.442	1.817	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C	ZINC000280936575	825825047	/nfs/dbraw/zinc/82/50/47/825825047.db2.gz	FVTLVQVWZXXZCQ-PBHICJAKSA-N	1	0	360.458	1.950	20	30		FDEDRO
C[NH+]1CCN(c2ccc(NC(=O)c3cn[nH]c3[C@@H]3CCOC3)cn2)CC1	ZINC000330303755	825863040	/nfs/dbraw/zinc/86/30/40/825863040.db2.gz	PMFJVCIIGVKAPA-CYBMUJFWSA-N	1	0	356.430	1.697	20	30		FDEDRO
Cn1ncc2c1CCC[C@H]2NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1	ZINC000330338924	825942873	/nfs/dbraw/zinc/94/28/73/825942873.db2.gz	WAWNZVURHPMGFZ-GOSISDBHSA-N	1	0	374.533	1.671	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC[N@@H+]1CC(C)(C)O	ZINC000281377102	825948355	/nfs/dbraw/zinc/94/83/55/825948355.db2.gz	ZJEHAIYYGLOMDD-CRAIPNDOSA-N	1	0	354.454	1.544	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CC[C@H]1CC[C@H](C2OCCO2)O1	ZINC000896891781	825958756	/nfs/dbraw/zinc/95/87/56/825958756.db2.gz	ZLOCFJIRLJDVEH-HZPDHXFCSA-N	1	0	353.463	1.381	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4[C@@H]5COC[C@@H]54)C[C@@H]3C2)s1	ZINC001088072896	825973221	/nfs/dbraw/zinc/97/32/21/825973221.db2.gz	FCJPKOAZDAFODK-VGVSJJQXSA-N	1	0	357.479	1.792	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@@H]1CC	ZINC000984986531	825987232	/nfs/dbraw/zinc/98/72/32/825987232.db2.gz	ISQNNJVSUDKEQE-CGTJXYLNSA-N	1	0	371.485	1.870	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN(C(C)(C)C)C3=O)C[C@@H]2C1	ZINC001088077341	826065590	/nfs/dbraw/zinc/06/55/90/826065590.db2.gz	UUMWIIFOPNISOY-SQNIBIBYSA-N	1	0	359.514	1.827	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@@]2(CO)CCOc3ccccc32)cc1	ZINC000281689265	826156885	/nfs/dbraw/zinc/15/68/85/826156885.db2.gz	MYYBIVPGGWQPHW-OXQOHEQNSA-N	1	0	354.406	1.558	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN(CC(F)F)C3)C[C@@H]2C1	ZINC001088083906	826221858	/nfs/dbraw/zinc/22/18/58/826221858.db2.gz	OLKMUGQQNVPSLX-ZACQAIPSSA-N	1	0	353.457	1.767	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C)on2)[C@@H]1CC	ZINC000985047813	826232540	/nfs/dbraw/zinc/23/25/40/826232540.db2.gz	ROJRYXYJIXIQFU-UAGQMJEPSA-N	1	0	358.442	1.190	20	30		FDEDRO
C[C@@]1(C(=O)N2C[C@@H]3C[N@@H+](CC#Cc4ccccc4)CC[C@@H]3C2)CCC(=O)N1	ZINC001088093553	826346638	/nfs/dbraw/zinc/34/66/38/826346638.db2.gz	AMRZUVQNDNWDLO-DXIQSLLYSA-N	1	0	365.477	1.487	20	30		FDEDRO
C[N@@H+]1CCCN(c2ccc(-c3noc([C@]4(C#N)CCCOC4)n3)cn2)CC1	ZINC000866903302	826369697	/nfs/dbraw/zinc/36/96/97/826369697.db2.gz	HTZMOAIURZCLLC-IBGZPJMESA-N	1	0	368.441	1.845	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4(C(C)C)CC4)C[C@@H]3C2)C1=O	ZINC001088097858	826381961	/nfs/dbraw/zinc/38/19/61/826381961.db2.gz	MJWYFLQHRRUSEB-SQNIBIBYSA-N	1	0	359.514	1.990	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](C[C@H]4CCCOC4)CC[C@@H]3C2)nn1	ZINC001088133280	826572068	/nfs/dbraw/zinc/57/20/68/826572068.db2.gz	ZMWINWZQKMLZSF-ZACQAIPSSA-N	1	0	359.474	1.285	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC000985160161	826648989	/nfs/dbraw/zinc/64/89/89/826648989.db2.gz	BDGRMVQVPXBURX-XOKHGSTOSA-N	1	0	357.458	1.337	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3[nH]ncc3Br)C[C@@H]2C1	ZINC001088142994	826688588	/nfs/dbraw/zinc/68/85/88/826688588.db2.gz	OOKNKFNCLUUVND-NEPJUHHUSA-N	1	0	351.248	1.589	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C[C@@H]2C1	ZINC001088169135	826987526	/nfs/dbraw/zinc/98/75/26/826987526.db2.gz	JFAACHBCSPWYNM-OLZOCXBDSA-N	1	0	362.430	1.257	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccn4c(=O)[nH]nc34)C[C@@H]2C1	ZINC001088169125	826987668	/nfs/dbraw/zinc/98/76/68/826987668.db2.gz	IJRWBYDKMJHREC-OLZOCXBDSA-N	1	0	361.833	1.581	20	30		FDEDRO
CC(C)[C@@H]([NH2+]Cc1ccc(C#N)s1)C(=O)N(C)Cc1nnc2n1CCC2	ZINC000475360971	827202488	/nfs/dbraw/zinc/20/24/88/827202488.db2.gz	LTHNBMDITGRNCG-QGZVFWFLSA-N	1	0	372.498	1.930	20	30		FDEDRO
Cn1cncc1CC(=O)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001088170892	827234084	/nfs/dbraw/zinc/23/40/84/827234084.db2.gz	MRCNBOAZIYTEBW-UXHICEINSA-N	1	0	362.477	1.795	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cc4c(cn3)nc[nH]c4=O)C[C@@H]2C1	ZINC001088185476	827321823	/nfs/dbraw/zinc/32/18/23/827321823.db2.gz	BOZWQLYMYGTKJC-KGLIPLIRSA-N	1	0	351.410	1.148	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C[C@@H]2C1	ZINC001088196585	827408986	/nfs/dbraw/zinc/40/89/86/827408986.db2.gz	PAPGKHCXXVGTJO-KURKYZTESA-N	1	0	357.498	1.581	20	30		FDEDRO
C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(Cc4cc(F)ccc4C#N)C[C@H]3C2)C1	ZINC001088199660	827431631	/nfs/dbraw/zinc/43/16/31/827431631.db2.gz	YEGFQEHGKKINQJ-AOIWGVFYSA-N	1	0	370.472	1.929	20	30		FDEDRO
N#Cc1csc(CNC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)n1	ZINC000897272842	827596866	/nfs/dbraw/zinc/59/68/66/827596866.db2.gz	FENVWBAIAVSJBI-UHFFFAOYSA-N	1	0	363.487	1.659	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC(CO[C@@H]3CCN(CC#N)C3)CC2)CC[N@@H+]1C	ZINC001088234611	827599174	/nfs/dbraw/zinc/59/91/74/827599174.db2.gz	XNCBFLZMSMPWJQ-CEXWTWQISA-N	1	0	362.518	1.570	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)[C@H]3CN(CC)CCO3)[C@@H]2CC)C1	ZINC000985428075	827803787	/nfs/dbraw/zinc/80/37/87/827803787.db2.gz	QQQFBMUIHOKWGG-GVDBMIGSSA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cn(CC3CC3)nn2)C[C@H]1C(F)(F)F	ZINC001112185078	827877033	/nfs/dbraw/zinc/87/70/33/827877033.db2.gz	SOIAFKIWLDBKBW-CHWSQXEVSA-N	1	0	355.364	1.304	20	30		FDEDRO
CC(C)(C#N)c1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1	ZINC000475519172	827883456	/nfs/dbraw/zinc/88/34/56/827883456.db2.gz	FPVOLSVOPPYJOA-MRXNPFEDSA-N	1	0	356.470	1.805	20	30		FDEDRO
CN(C)C(NCc1ccc(C(=O)NCC(N)=O)cc1)=[NH+]Cc1ccccc1	ZINC000303910024	827943010	/nfs/dbraw/zinc/94/30/10/827943010.db2.gz	YNXMHVGYPBKGKA-UHFFFAOYSA-N	1	0	367.453	1.109	20	30		FDEDRO
COCC(COC)[NH+]1CCN(Cc2ccc(N(C)CCC#N)cc2)CC1	ZINC000840955066	828128830	/nfs/dbraw/zinc/12/88/30/828128830.db2.gz	PYIFMOIOGIJGIT-UHFFFAOYSA-N	1	0	360.502	1.815	20	30		FDEDRO
C=CCN1CC[C@H](N2CCN([C@H]3CCN(CC=C)C3=O)[C@H](CCC)C2)C1=O	ZINC000282017590	828133528	/nfs/dbraw/zinc/13/35/28/828133528.db2.gz	OWHNLZPOGXYADM-QYZOEREBSA-N	1	0	374.529	1.347	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+](C)C2CCN(C(=O)[C@@H]3CCO[C@H]3CC)CC2)C1=O	ZINC000985547708	828138316	/nfs/dbraw/zinc/13/83/16/828138316.db2.gz	KUTBZIKEBCPYIJ-KURKYZTESA-N	1	0	363.502	1.511	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H](CO)C(C)(C)C	ZINC000444703954	828177414	/nfs/dbraw/zinc/17/74/14/828177414.db2.gz	KPCIIRIMVIRRDT-INIZCTEOSA-N	1	0	364.490	1.948	20	30		FDEDRO
COCC[N@H+](C)CCOc1cccc(CNC(=O)c2ccnc(C#N)c2)c1	ZINC000475611071	828188619	/nfs/dbraw/zinc/18/86/19/828188619.db2.gz	XAKSMBLUFCQQLN-UHFFFAOYSA-N	1	0	368.437	1.840	20	30		FDEDRO
Cn1c(C#N)ccc1C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1	ZINC000448826472	829257207	/nfs/dbraw/zinc/25/72/07/829257207.db2.gz	XYVLFTIVLFFSQU-UHFFFAOYSA-N	1	0	353.382	1.619	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@H]2CCCCCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)c1	ZINC001088383117	829361298	/nfs/dbraw/zinc/36/12/98/829361298.db2.gz	VRFHBRJLUHUFRF-KSZLIROESA-N	1	0	354.454	1.540	20	30		FDEDRO
CC(=O)NC[C@H]1CCC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000528359820	829367284	/nfs/dbraw/zinc/36/72/84/829367284.db2.gz	LOIILPMNBQSRKX-MRXNPFEDSA-N	1	0	353.422	1.134	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1	ZINC000528381195	829372425	/nfs/dbraw/zinc/37/24/25/829372425.db2.gz	PUHGJEVRGWEJSE-SJORKVTESA-N	1	0	367.453	1.715	20	30		FDEDRO
CC(=O)N(C)C1CC[NH+](CC#CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000528367605	829373963	/nfs/dbraw/zinc/37/39/63/829373963.db2.gz	SALBBICJLKRFCG-UHFFFAOYSA-N	1	0	353.422	1.229	20	30		FDEDRO
CC[NH+](CC)C[C@H]1CCN(CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000528394509	829382347	/nfs/dbraw/zinc/38/23/47/829382347.db2.gz	LBRQMFFSRCPOCR-QGZVFWFLSA-N	1	0	353.466	1.950	20	30		FDEDRO
CNC(=O)CC1CC[NH+](CC#CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000528398957	829383233	/nfs/dbraw/zinc/38/32/33/829383233.db2.gz	XDSQKPOESNZPOW-UHFFFAOYSA-N	1	0	353.422	1.134	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(N2CCCNC2=O)CC1	ZINC000528417886	829395715	/nfs/dbraw/zinc/39/57/15/829395715.db2.gz	AFXXILXGMNBUGA-QGZVFWFLSA-N	1	0	358.442	1.178	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](c2ccnc(N)n2)C1	ZINC000528480579	829420250	/nfs/dbraw/zinc/42/02/50/829420250.db2.gz	FXAXQVTUVQDJJF-HOTGVXAUSA-N	1	0	353.426	1.550	20	30		FDEDRO
COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N	ZINC000841209281	829422491	/nfs/dbraw/zinc/42/24/91/829422491.db2.gz	ONUZDZVAQVTIQS-COPLHBTASA-N	1	0	352.822	1.987	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[NH2+][C@@H]1CCC(=O)NC12CCC2	ZINC000528490304	829432467	/nfs/dbraw/zinc/43/24/67/829432467.db2.gz	JXGTXHUQAVLLHV-MRXNPFEDSA-N	1	0	351.406	1.077	20	30		FDEDRO
N#Cc1cc(Oc2ccc(NC(=O)NC[C@H]3COCC[NH2+]3)cc2)ccn1	ZINC000528689626	829521193	/nfs/dbraw/zinc/52/11/93/829521193.db2.gz	FRHCVQWLGHCYHR-HNNXBMFYSA-N	1	0	353.382	1.855	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)Nc1cc(C)no1	ZINC001168110383	829559436	/nfs/dbraw/zinc/55/94/36/829559436.db2.gz	SNKGFKMMJVRFRY-YCPHGPKFSA-N	1	0	364.446	1.387	20	30		FDEDRO
CCOC(=O)[C@@H]1CCCc2sc(NC(=O)N[C@@H]3C[NH2+]C[C@@H]3C#N)nc21	ZINC000841253331	829658627	/nfs/dbraw/zinc/65/86/27/829658627.db2.gz	XCNLZCVJIWKZOU-HBNTYKKESA-N	1	0	363.443	1.359	20	30		FDEDRO
CCOC(=O)[C@@H]1CCCc2sc(NC(=O)N[C@H]3C[NH2+]C[C@H]3C#N)nc21	ZINC000841253332	829659516	/nfs/dbraw/zinc/65/95/16/829659516.db2.gz	XCNLZCVJIWKZOU-MXWKQRLJSA-N	1	0	363.443	1.359	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CCN1Cc1ccccc1	ZINC000529358904	829844248	/nfs/dbraw/zinc/84/42/48/829844248.db2.gz	JAQONCGGCPHMTI-QZTJIDSGSA-N	1	0	353.470	1.691	20	30		FDEDRO
CC(C)[NH+]=C(NCCc1ccco1)N1CCN(c2ncc(F)cn2)CC1	ZINC000262665235	829941522	/nfs/dbraw/zinc/94/15/22/829941522.db2.gz	NEQCSHDAOJGURI-UHFFFAOYSA-N	1	0	360.437	1.927	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1COC(=O)CCN1c2ccccc2O[C@H](C)C1=O	ZINC000729808431	837423794	/nfs/dbraw/zinc/42/37/94/837423794.db2.gz	BPMNFCSVDBUWCT-CVEARBPZSA-N	1	0	356.422	1.831	20	30		FDEDRO
COc1cccc(NC(=[NH2+])NCc2cccnc2N2CCN(C)CC2)c1	ZINC000303869149	830333196	/nfs/dbraw/zinc/33/31/96/830333196.db2.gz	DQUGDPBOBDHUEP-UHFFFAOYSA-N	1	0	354.458	1.769	20	30		FDEDRO
CCO[C@@H]1COC[C@H]1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000451937707	830471375	/nfs/dbraw/zinc/47/13/75/830471375.db2.gz	MVSJLPMYJXPFLK-HZPDHXFCSA-N	1	0	370.371	1.567	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CCCC(=O)NC[C@H]1CCC[N@H+]1CCCO	ZINC000452376232	830638486	/nfs/dbraw/zinc/63/84/86/830638486.db2.gz	YWCBTEBABLKRLF-QGZVFWFLSA-N	1	0	372.469	1.630	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCC[N@H+](CCCO)C1	ZINC000452377405	830639583	/nfs/dbraw/zinc/63/95/83/830639583.db2.gz	RCGGCNCPIIQWRP-HKUYNNGSSA-N	1	0	359.470	1.925	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(CC#N)c1)Cc1ccccc1	ZINC000453569565	830946224	/nfs/dbraw/zinc/94/62/24/830946224.db2.gz	CTWPOJLUARJJFH-LJQANCHMSA-N	1	0	364.449	1.980	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1C#N	ZINC000453661488	830992526	/nfs/dbraw/zinc/99/25/26/830992526.db2.gz	CIVNFICXKGHVGP-WBVHZDCISA-N	1	0	367.453	1.676	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)ccc1C#N	ZINC000453667896	830997073	/nfs/dbraw/zinc/99/70/73/830997073.db2.gz	HUZHTCULWOGCMN-UHFFFAOYSA-N	1	0	355.442	1.677	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1	ZINC000453760249	831074354	/nfs/dbraw/zinc/07/43/54/831074354.db2.gz	JVUTYEADVCIOSK-IIDMSEBBSA-N	1	0	354.454	1.994	20	30		FDEDRO
C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)C[C@@H](C)C1	ZINC000453762934	831075504	/nfs/dbraw/zinc/07/55/04/831075504.db2.gz	MXMBOAMOJVZTFE-DAYGRLMNSA-N	1	0	354.454	1.880	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1CCO	ZINC000453822698	831100567	/nfs/dbraw/zinc/10/05/67/831100567.db2.gz	QKSUCVIIVXRSSC-QGZVFWFLSA-N	1	0	359.470	1.707	20	30		FDEDRO
C=C(C)CCNC(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1	ZINC000453882171	831166631	/nfs/dbraw/zinc/16/66/31/831166631.db2.gz	RPPSSQFCFFBLHT-UHFFFAOYSA-N	1	0	360.458	1.988	20	30		FDEDRO
COc1cc(C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)ccc1OCC(N)=O	ZINC000360058454	831284332	/nfs/dbraw/zinc/28/43/32/831284332.db2.gz	LRLOIDKJXHJOAN-NXOAAHMSSA-N	1	0	373.453	1.889	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1	ZINC000986367180	831559737	/nfs/dbraw/zinc/55/97/37/831559737.db2.gz	OKIXVRKEENTFFU-UWWQBHOKSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)C[NH+]2CCCC2)C1	ZINC001059729665	831961114	/nfs/dbraw/zinc/96/11/14/831961114.db2.gz	ZCHSBAMOUDXXTP-KSZLIROESA-N	1	0	363.502	1.418	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C3(C(C)C)CC3)C[C@@H]2C1	ZINC000986634805	832102356	/nfs/dbraw/zinc/10/23/56/832102356.db2.gz	DGODPQSXVLNFPY-QYZOEREBSA-N	1	0	371.525	1.827	20	30		FDEDRO
C#CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC001105438301	832336658	/nfs/dbraw/zinc/33/66/58/832336658.db2.gz	CQRWNENGDYKRBF-MNDCFMPDSA-N	1	0	367.493	1.718	20	30		FDEDRO
CN(C)C(=O)[C@H]1CC[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)O1	ZINC000263109290	832437116	/nfs/dbraw/zinc/43/71/16/832437116.db2.gz	ARMQPGPMPDNUQY-DZGCQCFKSA-N	1	0	362.430	1.210	20	30		FDEDRO
C[C@H](C(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1C)[NH+]1CCCCCC1	ZINC000987647619	833514450	/nfs/dbraw/zinc/51/44/50/833514450.db2.gz	RYGMHGGYQZGLEK-RKVPGOIHSA-N	1	0	371.485	1.870	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC3(F)F)[C@H]2C)CC1	ZINC000987851387	833735001	/nfs/dbraw/zinc/73/50/01/833735001.db2.gz	JGTQWNYKJSOAJZ-SNPRPXQTSA-N	1	0	353.413	1.092	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CN(C)C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000988029598	833946308	/nfs/dbraw/zinc/94/63/08/833946308.db2.gz	BTXMCVZFZLHLIX-FHLIZLRMSA-N	1	0	371.485	1.537	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1C	ZINC000988282969	834304888	/nfs/dbraw/zinc/30/48/88/834304888.db2.gz	KSWVIDRIDMPTAY-WMEZAQDKSA-N	1	0	363.502	1.558	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CN(C)C(=O)C2CC[NH+](C)CC2)C1	ZINC000988357588	834578927	/nfs/dbraw/zinc/57/89/27/834578927.db2.gz	COSNFIDGVBUGRQ-JQHSSLGASA-N	1	0	363.502	1.226	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4cnccc4C)[C@@H]3C2)C1=O	ZINC001075901126	834741909	/nfs/dbraw/zinc/74/19/09/834741909.db2.gz	RAEQBLVSODREJN-QXAKKESOSA-N	1	0	368.481	1.252	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCn2nc(C)nc2C)[C@@H]1C	ZINC001088575927	835019915	/nfs/dbraw/zinc/01/99/15/835019915.db2.gz	NMKIRJDJLXRXAX-ZSGPHXLJSA-N	1	0	361.490	1.455	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC000359883062	835040965	/nfs/dbraw/zinc/04/09/65/835040965.db2.gz	WYULBDVTKISYFH-IRXDYDNUSA-N	1	0	361.417	1.901	20	30		FDEDRO
O=C(NCC#Cc1ccccc1)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1	ZINC000419116869	835435112	/nfs/dbraw/zinc/43/51/12/835435112.db2.gz	PHJMCGOVEBIQOE-OALUTQOASA-N	1	0	353.466	1.535	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(c3ccc(OC)cn3)CC2)CC1	ZINC000454456273	835503061	/nfs/dbraw/zinc/50/30/61/835503061.db2.gz	CTHXIJRMEHJZMJ-UHFFFAOYSA-N	1	0	373.501	1.962	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN([C@@H](C(N)=O)c3ccc(C#N)cc3)C2)CC1	ZINC000532986683	835605842	/nfs/dbraw/zinc/60/58/42/835605842.db2.gz	UDYQOAYIBAENLL-RTBURBONSA-N	1	0	355.486	1.185	20	30		FDEDRO
CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cc(C)nn1CCC#N	ZINC000533002907	835618632	/nfs/dbraw/zinc/61/86/32/835618632.db2.gz	RXVYSMRQLKORHW-INIZCTEOSA-N	1	0	374.489	1.815	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)[C@@H]2C)CC1	ZINC000988506189	835656850	/nfs/dbraw/zinc/65/68/50/835656850.db2.gz	JNBSMTLJRJMTIO-LGKHCZOZSA-N	1	0	371.525	1.873	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3ccc(C)o3)[C@@H]2C)CC1	ZINC000988505977	835657057	/nfs/dbraw/zinc/65/70/57/835657057.db2.gz	GXDKATOSYNMJTA-WBVHZDCISA-N	1	0	357.454	1.652	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CCN1C(=O)C#CC1CC1	ZINC000988512971	835697515	/nfs/dbraw/zinc/69/75/15/835697515.db2.gz	AQTAEOSZLOFMGN-BEFAXECRSA-N	1	0	353.466	1.881	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)CC2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)CC[N@@H+]1C	ZINC000988514155	835712163	/nfs/dbraw/zinc/71/21/63/835712163.db2.gz	SKBDKKZMMAUDDE-RDTXWAMCSA-N	1	0	371.485	1.537	20	30		FDEDRO
CCN1C[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)CC1=O	ZINC001088602724	835961490	/nfs/dbraw/zinc/96/14/90/835961490.db2.gz	PGGKDZNIPFFNST-JLSDUUJJSA-N	1	0	354.454	1.506	20	30		FDEDRO
CC[C@@H](OC)C(=O)N[C@@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@H]1OC	ZINC001211994947	836030166	/nfs/dbraw/zinc/03/01/66/836030166.db2.gz	PJEMRYYMFSHDGA-KZNAEPCWSA-N	1	0	364.873	1.932	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1CN([C@@H](C)C(=O)N2CCCCCC2)C[C@H]1OC	ZINC001212024151	836304301	/nfs/dbraw/zinc/30/43/01/836304301.db2.gz	LDGMWXIAUJSCAQ-GVDBMIGSSA-N	1	0	351.491	1.559	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1OC	ZINC001212036322	836332072	/nfs/dbraw/zinc/33/20/72/836332072.db2.gz	QTXKHGBUFAECTB-RTBURBONSA-N	1	0	370.453	1.390	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn4cc[nH]c34)[C@@H]2C(C)C)C[C@H]1O	ZINC001105669254	844166270	/nfs/dbraw/zinc/16/62/70/844166270.db2.gz	QKXCNQANIYHSNO-WOCWXWTJSA-N	1	0	369.469	1.265	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000428594967	838348725	/nfs/dbraw/zinc/34/87/25/838348725.db2.gz	HQXZGTSUSCABRU-MRXNPFEDSA-N	1	0	357.454	1.535	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000272626003	838438046	/nfs/dbraw/zinc/43/80/46/838438046.db2.gz	VQIJEXWUCGSLOU-LJQANCHMSA-N	1	0	364.449	1.515	20	30		FDEDRO
C#CCNC(=O)c1ccc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)nc1	ZINC000273186647	838444019	/nfs/dbraw/zinc/44/40/19/838444019.db2.gz	MHRPURXUADCBNO-LJQANCHMSA-N	1	0	364.449	1.623	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3ccnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105669943	844338440	/nfs/dbraw/zinc/33/84/40/844338440.db2.gz	WSDXTCRWVYOHOP-LFGUQSLTSA-N	1	0	358.486	1.181	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]1C	ZINC000989189495	838636892	/nfs/dbraw/zinc/63/68/92/838636892.db2.gz	YTJMGXVNOCOVOL-AYOQOUSVSA-N	1	0	355.482	1.656	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@@H](C[NH+]3CCCC3)C2)CC1	ZINC000245563145	844375533	/nfs/dbraw/zinc/37/55/33/844375533.db2.gz	PJORYMRADTVABO-RBUKOAKNSA-N	1	0	361.534	1.096	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@H](C2CC2)C1	ZINC000459925580	839092254	/nfs/dbraw/zinc/09/22/54/839092254.db2.gz	HWWPUPLHKIMHAF-IBGZPJMESA-N	1	0	368.481	1.707	20	30		FDEDRO
C#CC[C@@H](NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1	ZINC000841865208	839519525	/nfs/dbraw/zinc/51/95/25/839519525.db2.gz	NDWWSYOFVOGMTK-HZPDHXFCSA-N	1	0	368.403	1.886	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN(c3nccnc3C#N)C2)CC[N@@H+]1C	ZINC001059969040	839550458	/nfs/dbraw/zinc/55/04/58/839550458.db2.gz	YTOCXOWPVBZKHC-HLLBOEOZSA-N	1	0	356.474	1.411	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccnc(-n3ccnc3)c2)c1C#N	ZINC000760308179	839780257	/nfs/dbraw/zinc/78/02/57/839780257.db2.gz	LXBYPAQWNQXHPC-UHFFFAOYSA-N	1	0	350.386	1.266	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H](C)NC(=O)OC(C)(C)C)c1C#N	ZINC000760310008	839781297	/nfs/dbraw/zinc/78/12/97/839781297.db2.gz	PLKOPWLYXXNFQY-NSHDSACASA-N	1	0	364.450	1.675	20	30		FDEDRO
C#CCOCCC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@H]1C	ZINC001101961846	839783726	/nfs/dbraw/zinc/78/37/26/839783726.db2.gz	KISLTKQHGKJNDN-BHIYHBOVSA-N	1	0	350.503	1.652	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000989390988	839869654	/nfs/dbraw/zinc/86/96/54/839869654.db2.gz	QCNBSBZWRZGKLM-XRGAULLZSA-N	1	0	357.458	1.336	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088796626	844483987	/nfs/dbraw/zinc/48/39/87/844483987.db2.gz	UOGZPMMNSZUKPH-JLSDUUJJSA-N	1	0	370.453	1.289	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCCN1CC[NH+](C)CC1	ZINC000476147675	839979256	/nfs/dbraw/zinc/97/92/56/839979256.db2.gz	JJVGGRYIBNJZSA-IBGZPJMESA-N	1	0	358.486	1.715	20	30		FDEDRO
CC[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1C1(C[NH2+]CC(=O)NCC#N)CCC1	ZINC001105565839	839984110	/nfs/dbraw/zinc/98/41/10/839984110.db2.gz	CEFZXENORLZUKC-ZACQAIPSSA-N	1	0	360.502	1.813	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(F)F)[C@H]2C(C)C)C[C@H]1O	ZINC001105584692	839993665	/nfs/dbraw/zinc/99/36/65/839993665.db2.gz	JKHYIVZMZYIMPW-BSXFFOKHSA-N	1	0	358.429	1.258	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3CCOCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105584167	839993820	/nfs/dbraw/zinc/99/38/20/839993820.db2.gz	FAPAQKDTXUYZDR-MLYOOKFZSA-N	1	0	350.503	1.955	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3CCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105585638	839996671	/nfs/dbraw/zinc/99/66/71/839996671.db2.gz	TXJHOUUDXATJOU-SOAMZJECSA-N	1	0	350.503	1.955	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105587506	840027954	/nfs/dbraw/zinc/02/79/54/840027954.db2.gz	IRNJYSAEHAGBES-ANTGDGSKSA-N	1	0	371.481	1.311	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3=COCCO3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105589853	840117566	/nfs/dbraw/zinc/11/75/66/840117566.db2.gz	GHVGSOLBJIEHLT-CIWUYKSXSA-N	1	0	364.486	1.807	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CNC(C)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105591871	840131873	/nfs/dbraw/zinc/13/18/73/840131873.db2.gz	UYROANMNKJAMAD-RWQQGDIJSA-N	1	0	351.491	1.055	20	30		FDEDRO
O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1	ZINC000667542315	844538281	/nfs/dbraw/zinc/53/82/81/844538281.db2.gz	QPAIXSHDUQGHED-PXNSSMCTSA-N	1	0	374.444	1.630	20	30		FDEDRO
CCOC(=O)N1C[C@H](CO)[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1	ZINC000898359337	840965719	/nfs/dbraw/zinc/96/57/19/840965719.db2.gz	PILCYVKSTCHMPJ-SJLPKXTDSA-N	1	0	361.442	1.908	20	30		FDEDRO
CCOC(=O)N1C[C@@H](CO)[C@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)C1	ZINC000898360010	840966629	/nfs/dbraw/zinc/96/66/29/840966629.db2.gz	WSLKIMBKHSECME-FUHWJXTLSA-N	1	0	360.458	1.575	20	30		FDEDRO
C=CCc1cc(C[NH2+][C@@H]2CN(C(=O)OCC)C[C@H]2CO)cc(OC)c1O	ZINC000898358232	840994714	/nfs/dbraw/zinc/99/47/14/840994714.db2.gz	CCAHKYUCZIDRMD-JKSUJKDBSA-N	1	0	364.442	1.668	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)n(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105601383	841032469	/nfs/dbraw/zinc/03/24/69/841032469.db2.gz	XMTHZXJPTBHJFL-MLYOOKFZSA-N	1	0	358.486	1.332	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2occc2C[NH+](C)C)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC000989539354	841155776	/nfs/dbraw/zinc/15/57/76/841155776.db2.gz	YWEKBDQEFBGEFZ-WBMJQRKESA-N	1	0	369.425	1.574	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CNC(=O)CCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105606554	841214140	/nfs/dbraw/zinc/21/41/40/841214140.db2.gz	FAKCAKBNYWYSAE-SMOSDQRPSA-N	1	0	365.518	1.445	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COC(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105607390	841225537	/nfs/dbraw/zinc/22/55/37/841225537.db2.gz	QGHGHKNJAFLYGY-LFGUQSLTSA-N	1	0	366.502	1.027	20	30		FDEDRO
C=CCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccn(C)n3)C2)[C@@H]1C(C)C	ZINC001105607673	841232940	/nfs/dbraw/zinc/23/29/40/841232940.db2.gz	VNKRTPCAVVICHY-JYBIWHBTSA-N	1	0	360.502	1.852	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C)c1	ZINC000989805100	841476494	/nfs/dbraw/zinc/47/64/94/841476494.db2.gz	CMKKJBGFYZYSOD-MNEFBYGVSA-N	1	0	368.481	1.655	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3[nH]c(C)nc3C)[C@H]2C)CC1	ZINC000990043701	841849449	/nfs/dbraw/zinc/84/94/49/841849449.db2.gz	XJYLJHHSHYEZTK-PBHICJAKSA-N	1	0	371.485	1.091	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1	ZINC001060027111	842122399	/nfs/dbraw/zinc/12/23/99/842122399.db2.gz	VDCMORDIELVWLU-KSZLIROESA-N	1	0	365.518	1.664	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncccc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105613732	842225116	/nfs/dbraw/zinc/22/51/16/842225116.db2.gz	BONPJKLMQNDTGC-VGUOSERISA-N	1	0	355.482	1.993	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3oc(C)nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105613779	842225220	/nfs/dbraw/zinc/22/52/20/842225220.db2.gz	BSXDFDAQPPLOQA-QQTQMKHKSA-N	1	0	359.470	1.894	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)/C=C/C3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105615583	842231010	/nfs/dbraw/zinc/23/10/10/842231010.db2.gz	XUVUPYYVFVAQHD-GOSQPCLYSA-N	1	0	360.498	1.569	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)ccn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105618965	842234938	/nfs/dbraw/zinc/23/49/38/842234938.db2.gz	CMCDIPDALWDLFG-PLOVASNDSA-N	1	0	357.498	1.937	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(OC)no3)[C@H]2C(C)C)C[C@H]1O	ZINC001105619194	842236659	/nfs/dbraw/zinc/23/66/59/842236659.db2.gz	HOEXCSWXTJMZTB-GNSPCKGOSA-N	1	0	363.458	1.839	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(F)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105620035	842240829	/nfs/dbraw/zinc/24/08/29/842240829.db2.gz	VLRDWBQRJLIACI-SOAMZJECSA-N	1	0	359.445	1.824	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3coc(CC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105619998	842241328	/nfs/dbraw/zinc/24/13/28/842241328.db2.gz	VABKZTOYJNODPP-GNUPYSACSA-N	1	0	359.470	1.840	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COC(C)(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105622502	842247787	/nfs/dbraw/zinc/24/77/87/842247787.db2.gz	BSFKXMWBZNESGK-CIWUYKSXSA-N	1	0	350.503	1.791	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nccc(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105622592	842248534	/nfs/dbraw/zinc/24/85/34/842248534.db2.gz	DHHJXTDHMBFRTL-WOCWXWTJSA-N	1	0	356.470	1.388	20	30		FDEDRO
C=CCc1cc(C[N@H+]2CC[C@H](n3cc(C(=O)OC)nn3)C2)c(O)c(OC)c1	ZINC000760543273	842256835	/nfs/dbraw/zinc/25/68/35/842256835.db2.gz	ZPGMMNSZDYAWFQ-HNNXBMFYSA-N	1	0	372.425	1.954	20	30		FDEDRO
CC(C)OCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C#CC3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105626647	842258047	/nfs/dbraw/zinc/25/80/47/842258047.db2.gz	FFRWLHNQIZNRSA-UKAVVXHISA-N	1	0	362.514	1.791	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C#CC3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105626868	842258477	/nfs/dbraw/zinc/25/84/77/842258477.db2.gz	ITDGKCXNPGDBCU-VURPSTOHSA-N	1	0	360.498	1.569	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(=O)n(C)o3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105626811	842258591	/nfs/dbraw/zinc/25/85/91/842258591.db2.gz	HWTKSDVLIZUPME-PHNROFDPSA-N	1	0	363.458	1.134	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(C)C)C2)[C@H]1C(C)C	ZINC001105631432	842263931	/nfs/dbraw/zinc/26/39/31/842263931.db2.gz	BXOZNAVZRFLINF-LFGUQSLTSA-N	1	0	350.503	1.648	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc(=O)[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105614369	842265829	/nfs/dbraw/zinc/26/58/29/842265829.db2.gz	HBCCETOQUSDVJC-CIWUYKSXSA-N	1	0	359.470	1.943	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(COC)CCCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105636848	842268663	/nfs/dbraw/zinc/26/86/63/842268663.db2.gz	FKLGLANEGCLLKZ-NEYJZJCJSA-N	1	0	362.514	1.793	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cnccc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637276	842271016	/nfs/dbraw/zinc/27/10/16/842271016.db2.gz	MMOFBJSLXOPIDS-UGESXGAOSA-N	1	0	369.509	1.922	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(CCOC)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637915	842274728	/nfs/dbraw/zinc/27/47/28/842274728.db2.gz	XKEMEQALMBRDGM-IKVWTGGYSA-N	1	0	362.514	1.793	20	30		FDEDRO
N#Cc1cccc(N2CC[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2)n1	ZINC000760553061	842275559	/nfs/dbraw/zinc/27/55/59/842275559.db2.gz	VQAYRZIKLSVQPS-KRWDZBQOSA-N	1	0	352.394	1.407	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3(COC)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105632024	842279158	/nfs/dbraw/zinc/27/91/58/842279158.db2.gz	HZLWHKIRFWSLIW-REHHDOPLSA-N	1	0	362.514	1.793	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@@H]1C(C)C	ZINC001105632662	842280583	/nfs/dbraw/zinc/28/05/83/842280583.db2.gz	MVCZRXGACUJYIJ-DZJHOTPTSA-N	1	0	365.518	1.301	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC=C(C)C)C2)[C@H]1C(C)C	ZINC001105632691	842280661	/nfs/dbraw/zinc/28/06/61/842280661.db2.gz	NFURYJFGWCJSFC-UKAVVXHISA-N	1	0	362.514	1.959	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC#CCOC)C2)[C@H]1C(C)C	ZINC001105633293	842282166	/nfs/dbraw/zinc/28/21/66/842282166.db2.gz	RRGOWJMRSZVLFA-VURPSTOHSA-N	1	0	362.514	1.959	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccc(=O)[nH]c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105642981	842327266	/nfs/dbraw/zinc/32/72/66/842327266.db2.gz	PULMQWJPZYIKIC-JYWFKMLOSA-N	1	0	371.481	1.319	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)cnn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105645757	842395850	/nfs/dbraw/zinc/39/58/50/842395850.db2.gz	CQHPHFCAXQYKAR-CIWUYKSXSA-N	1	0	358.486	1.332	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1	ZINC001060036231	842452996	/nfs/dbraw/zinc/45/29/96/842452996.db2.gz	YEIZZKYQKYMVDH-KSZLIROESA-N	1	0	365.518	1.664	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(C(N)=O)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105653492	842455591	/nfs/dbraw/zinc/45/55/91/842455591.db2.gz	VXRQHSUTDBAXNR-OAFZBRQQSA-N	1	0	363.502	1.184	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3conc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105655362	842483326	/nfs/dbraw/zinc/48/33/26/842483326.db2.gz	HRWHTPPLONRNER-SOAMZJECSA-N	1	0	359.470	1.840	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccn(C)c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105655303	842483504	/nfs/dbraw/zinc/48/35/04/842483504.db2.gz	HEYVLMUJPVUHBC-XCJLJZCSSA-N	1	0	357.498	1.937	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@@H]1C(C)C	ZINC001105656554	842487317	/nfs/dbraw/zinc/48/73/17/842487317.db2.gz	QXGDTPNXCDXVQH-ZLHSVIROSA-N	1	0	351.491	1.040	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C)[nH]c3=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105657379	842494319	/nfs/dbraw/zinc/49/43/19/842494319.db2.gz	YQMQEOPDQAOSKE-NEYJZJCJSA-N	1	0	371.481	1.699	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccnc3OC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105658014	842495900	/nfs/dbraw/zinc/49/59/00/842495900.db2.gz	CYEHWSHGVGXQOV-IKVWTGGYSA-N	1	0	371.481	1.693	20	30		FDEDRO
C=CCCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC#CCOC)C2)[C@H]1C(C)C	ZINC001105660460	842532978	/nfs/dbraw/zinc/53/29/78/842532978.db2.gz	VHUHBFVXCGBGDF-UKAVVXHISA-N	1	0	362.514	1.959	20	30		FDEDRO
C[C@H](OC(=O)COC1CC[NH+](C)CC1)C(=O)N(CCC#N)c1ccccc1	ZINC000923793775	842545219	/nfs/dbraw/zinc/54/52/19/842545219.db2.gz	HJTOOOZDDKLXGY-INIZCTEOSA-N	1	0	373.453	1.976	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccc(OC)cc2)C[C@@H]1O	ZINC001083470761	842636156	/nfs/dbraw/zinc/63/61/56/842636156.db2.gz	MJGPQOYTJSFLOS-ZRNYENFQSA-N	1	0	374.481	1.380	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)nc(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105661316	842686284	/nfs/dbraw/zinc/68/62/84/842686284.db2.gz	HFGLRUXLERNWKP-XCJLJZCSSA-N	1	0	370.497	1.696	20	30		FDEDRO
CN1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)CC1=O	ZINC001075960231	842847284	/nfs/dbraw/zinc/84/72/84/842847284.db2.gz	XQFIAPUALMWIOP-GBESFXJTSA-N	1	0	366.465	1.459	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCCCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105665615	843006091	/nfs/dbraw/zinc/00/60/91/843006091.db2.gz	APJRPQWNDPKZDW-LFGUQSLTSA-N	1	0	368.518	1.582	20	30		FDEDRO
C[NH+](C)Cc1ccc(N2CCN(C(=O)N[C@H]3CCC[C@@H]3C#N)CC2)nc1	ZINC000461965460	843259777	/nfs/dbraw/zinc/25/97/77/843259777.db2.gz	NGECRSUSLOODSV-SJORKVTESA-N	1	0	356.474	1.667	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H]1CCC[N@H+](C)[C@H]1C	ZINC000462098396	843312589	/nfs/dbraw/zinc/31/25/89/843312589.db2.gz	PJKNXARZFRZYPE-ZFWWWQNUSA-N	1	0	353.430	2.052	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)[C@H]1C	ZINC001088762917	843462289	/nfs/dbraw/zinc/46/22/89/843462289.db2.gz	CGQJAAIKZPINDY-YRXWBPOGSA-N	1	0	365.518	1.411	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3nonc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105667067	843482673	/nfs/dbraw/zinc/48/26/73/843482673.db2.gz	NMDHCVDZNFPJCA-ZAWLATJESA-N	1	0	362.474	1.463	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(C(=O)N(C)C)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105667361	843618781	/nfs/dbraw/zinc/61/87/81/843618781.db2.gz	QZNWXOUNSUHGJO-OAFZBRQQSA-N	1	0	363.502	1.007	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn4cc[nH]c34)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667558	843653362	/nfs/dbraw/zinc/65/33/62/843653362.db2.gz	CGWZONJYCZSSKU-WOCWXWTJSA-N	1	0	369.469	1.265	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH]nc3C3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105668438	843795514	/nfs/dbraw/zinc/79/55/14/843795514.db2.gz	XOIXGYODRJEUER-VGUOSERISA-N	1	0	370.497	1.890	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cncn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105668565	843834317	/nfs/dbraw/zinc/83/43/17/843834317.db2.gz	LCGMUXFLQGTEMH-FPAYPSAMSA-N	1	0	361.490	1.210	20	30		FDEDRO
C=CCN1CC[C@@H]([NH+]2CCC(O)(CNC(=O)OC(C)(C)C)CC2)C1=O	ZINC000842167146	845180489	/nfs/dbraw/zinc/18/04/89/845180489.db2.gz	YHKDPVMAUQHHQZ-CQSZACIVSA-N	1	0	353.463	1.125	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1C#N	ZINC000842180343	845368635	/nfs/dbraw/zinc/36/86/35/845368635.db2.gz	LKCQBBYUDNZYCF-QGZVFWFLSA-N	1	0	370.453	1.174	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCOCC)C2)[C@@H]1C(C)C	ZINC001105673972	845437939	/nfs/dbraw/zinc/43/79/39/845437939.db2.gz	RDOQJOGGMIHSOF-JYBIWHBTSA-N	1	0	368.518	1.582	20	30		FDEDRO
C#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CN(c4ccccn4)C[C@H]3C)CCC[C@@H]12	ZINC000990743455	845493648	/nfs/dbraw/zinc/49/36/48/845493648.db2.gz	RTRAGLUWFDQGNE-NEYJZJCJSA-N	1	0	352.482	1.900	20	30		FDEDRO
CC(C)N1CCO[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)C1	ZINC001088815602	845792883	/nfs/dbraw/zinc/79/28/83/845792883.db2.gz	WTSZWPNLWKLNSV-UXPWSPDFSA-N	1	0	370.497	1.746	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(Cc3cccc(C#N)c3)C[C@@H]2O)C1	ZINC001083521637	846092386	/nfs/dbraw/zinc/09/23/86/846092386.db2.gz	BIAOSHGDEZLFQX-AQNXPRMDSA-N	1	0	370.497	1.197	20	30		FDEDRO
C[N@H+](CCO)CCNC(=O)c1cccc(COc2cccc(C#N)c2)c1	ZINC000899733605	846650040	/nfs/dbraw/zinc/65/00/40/846650040.db2.gz	FIIHHZYYKSNFLC-UHFFFAOYSA-N	1	0	353.422	1.791	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCc2ccccc2C)C[C@@H]1O	ZINC001083535826	846922956	/nfs/dbraw/zinc/92/29/56/846922956.db2.gz	OMXAOCXTWJIYCS-HKBOAZHASA-N	1	0	369.509	1.187	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(C)c(C)n4)[C@@H]3C2)C1=O	ZINC001076047717	847151305	/nfs/dbraw/zinc/15/13/05/847151305.db2.gz	AJUDESLAODWOCC-QXAKKESOSA-N	1	0	368.481	1.632	20	30		FDEDRO
Cn1cc(OCC(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)cn1	ZINC001076183890	847459906	/nfs/dbraw/zinc/45/99/06/847459906.db2.gz	YJPSMGVNTIBWMX-PKOBYXMFSA-N	1	0	365.437	1.403	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ocnc4C4CC4)[C@@H]3C2)C1=O	ZINC001076239001	847622048	/nfs/dbraw/zinc/62/20/48/847622048.db2.gz	KSCRGWIKQCUKFE-HRCADAONSA-N	1	0	370.453	1.485	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4c(C)onc4CC)C[C@H]32)nn1	ZINC001076335228	847880084	/nfs/dbraw/zinc/88/00/84/847880084.db2.gz	WYVUIWZWIBVEPY-KBXCAEBGSA-N	1	0	370.457	1.669	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cnc(C)nc4C)[C@@H]3C2)C1=O	ZINC001076372197	847987588	/nfs/dbraw/zinc/98/75/88/847987588.db2.gz	OWFAPHOCFADKDJ-CGTJXYLNSA-N	1	0	369.469	1.027	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cccc(OC)n4)[C@@H]3C2)C1=O	ZINC001076419814	848124526	/nfs/dbraw/zinc/12/45/26/848124526.db2.gz	OBLNJZCXJMHIHP-USXIJHARSA-N	1	0	370.453	1.023	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)CCN4CCCC4=O)[C@@H]3C2)cc1	ZINC001076583417	848489544	/nfs/dbraw/zinc/48/95/44/848489544.db2.gz	QJWXYINUFONTJP-RBUKOAKNSA-N	1	0	366.465	1.603	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCCS(=O)(=O)C1)C2	ZINC001098172028	848640849	/nfs/dbraw/zinc/64/08/49/848640849.db2.gz	NXBCXZKIIOXHLD-HZMVEIRTSA-N	1	0	354.516	1.889	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C	ZINC001076726780	848858543	/nfs/dbraw/zinc/85/85/43/848858543.db2.gz	XEMDDKWUUUOGDW-NXOAAHMSSA-N	1	0	353.507	1.565	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)nc1	ZINC001076751601	848958202	/nfs/dbraw/zinc/95/82/02/848958202.db2.gz	WLOVWRCXKNGXAM-QILLFSRXSA-N	1	0	356.470	1.418	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CSCCC)C2	ZINC001112273093	849069174	/nfs/dbraw/zinc/06/91/74/849069174.db2.gz	RQQDVVKJHDDSHD-YJBOKZPZSA-N	1	0	351.516	1.097	20	30		FDEDRO
C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(C#N)CC2)C1	ZINC000483097866	849270512	/nfs/dbraw/zinc/27/05/12/849270512.db2.gz	JLKKXOOMJLLCOY-YJBOKZPZSA-N	1	0	354.454	1.700	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCC(F)(F)C3)C[C@H]2O)[nH]1	ZINC001076898723	849284936	/nfs/dbraw/zinc/28/49/36/849284936.db2.gz	XJMBAQZMZNLRNK-NILFDRSVSA-N	1	0	352.385	1.487	20	30		FDEDRO
CCc1ccc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)cc1	ZINC001076905894	849298503	/nfs/dbraw/zinc/29/85/03/849298503.db2.gz	FFRBKPHEGBEJEW-RTBURBONSA-N	1	0	352.438	1.466	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1	ZINC001077158948	849954100	/nfs/dbraw/zinc/95/41/00/849954100.db2.gz	GIKPBSWZIMVMRC-TVFCKZIOSA-N	1	0	362.474	1.015	20	30		FDEDRO
CCC(=O)N1CC[C@@H](NC(NCc2cn3cc(Cl)ccc3n2)=[NH+]C)C1	ZINC000161137300	849998499	/nfs/dbraw/zinc/99/84/99/849998499.db2.gz	IFGXWBAZSWEZCC-CYBMUJFWSA-N	1	0	362.865	1.664	20	30		FDEDRO
COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C3CCC3)C2)cc1C#N	ZINC001077211705	850104962	/nfs/dbraw/zinc/10/49/62/850104962.db2.gz	FIHFCEJTSNESAB-MORSLUCNSA-N	1	0	357.454	1.664	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@@H]2O)cc1	ZINC001083577887	850892301	/nfs/dbraw/zinc/89/23/01/850892301.db2.gz	MJOYEYSFKZUTSL-LZQZEXGQSA-N	1	0	360.454	1.453	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1O	ZINC001083578547	850962248	/nfs/dbraw/zinc/96/22/48/850962248.db2.gz	QUZLVHRWBVEDNE-JQHSSLGASA-N	1	0	360.454	1.595	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O	ZINC000904186080	851005434	/nfs/dbraw/zinc/00/54/34/851005434.db2.gz	PQYSGSWBMGWSDY-OAHLLOKOSA-N	1	0	359.426	1.763	20	30		FDEDRO
COC[C@H]1C[NH2+]CCN1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1	ZINC000904416476	851207472	/nfs/dbraw/zinc/20/74/72/851207472.db2.gz	NIHKHAQDRRRJRU-CQSZACIVSA-N	1	0	374.832	1.849	20	30		FDEDRO
N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)cc2)c1	ZINC000904616851	851313785	/nfs/dbraw/zinc/31/37/85/851313785.db2.gz	WQSWAXXOADGKHM-XJKSGUPXSA-N	1	0	371.828	1.783	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1	ZINC000668419741	851351436	/nfs/dbraw/zinc/35/14/36/851351436.db2.gz	KXBJKRMLHAOPNQ-QZTJIDSGSA-N	1	0	350.507	1.086	20	30		FDEDRO
C#CC[C@H](CCOC)[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1	ZINC000905398829	851904676	/nfs/dbraw/zinc/90/46/76/851904676.db2.gz	KHYQSKVQGOMHGB-CABCVRRESA-N	1	0	360.520	1.006	20	30		FDEDRO
Cn1cc(C[N@H+](C)C2CCN(CCO)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000491090536	862296908	/nfs/dbraw/zinc/29/69/08/862296908.db2.gz	MHYGDHNUADTCHH-UHFFFAOYSA-N	1	0	353.470	1.847	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)CSc1nncn1-c1cccc(Cl)c1	ZINC000913516080	862297630	/nfs/dbraw/zinc/29/76/30/862297630.db2.gz	AAMMFDWMQLSVLF-UHFFFAOYSA-N	1	0	363.874	1.694	20	30		FDEDRO
COc1ccc(C2N=NC(=S)N2CCC(=O)NCC#CC[NH+](C)C)cc1	ZINC000913516504	862298394	/nfs/dbraw/zinc/29/83/94/862298394.db2.gz	SGSHCWDPBBGCDY-UHFFFAOYSA-N	1	0	373.482	1.314	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1	ZINC000913516652	862298755	/nfs/dbraw/zinc/29/87/55/862298755.db2.gz	ZJUOCBDOFFEGIK-UHFFFAOYSA-N	1	0	351.332	1.581	20	30		FDEDRO
CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NCC#CC[NH+](C)C	ZINC000913516988	862300598	/nfs/dbraw/zinc/30/05/98/862300598.db2.gz	NYEQRLFAUHGBJR-QGZVFWFLSA-N	1	0	357.454	1.371	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F	ZINC000905489248	851989969	/nfs/dbraw/zinc/98/99/69/851989969.db2.gz	AIARZQVKFYVROZ-CYBMUJFWSA-N	1	0	359.417	1.608	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@]2(C#N)CC3CCC2CC3)CC1	ZINC000906569174	853028927	/nfs/dbraw/zinc/02/89/27/853028927.db2.gz	MEFNXQGASULVMZ-UHYCVJNDSA-N	1	0	360.502	1.719	20	30		FDEDRO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C	ZINC000906710222	853199329	/nfs/dbraw/zinc/19/93/29/853199329.db2.gz	ZPKWRANENNHELI-SWLSCSKDSA-N	1	0	360.483	1.991	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)NC[C@H]3CCCCC[NH2+]3)cc21	ZINC000906737998	853241884	/nfs/dbraw/zinc/24/18/84/853241884.db2.gz	GJAZCXHFJGLPDC-MRXNPFEDSA-N	1	0	355.442	1.809	20	30		FDEDRO
COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(C2CC2)c(C#N)c1	ZINC000906755152	853322552	/nfs/dbraw/zinc/32/25/52/853322552.db2.gz	NWQFDISTLSOIAY-INIZCTEOSA-N	1	0	356.426	1.211	20	30		FDEDRO
C[NH+](C)CCCOc1ccc(CNS(=O)(=O)c2ccc(C#N)cn2)cc1	ZINC000906913159	853497558	/nfs/dbraw/zinc/49/75/58/853497558.db2.gz	SKWIYGLBYLEGOS-UHFFFAOYSA-N	1	0	374.466	1.762	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cn2)C[C@H]1[NH+]1CCCC1	ZINC000907135354	853846526	/nfs/dbraw/zinc/84/65/26/853846526.db2.gz	UUTNEDCFVDCUCP-ZIAGYGMSSA-N	1	0	352.485	1.154	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)c3ccc(Br)c(C#N)c3)[C@@H]2C1	ZINC000907199372	853908013	/nfs/dbraw/zinc/90/80/13/853908013.db2.gz	WUUICYIVTSVULQ-IINYFYTJSA-N	1	0	370.272	1.645	20	30		FDEDRO
C[NH+]1CCN(CCCS(=O)(=O)Oc2cnc3cccc(C#N)c3c2)CC1	ZINC000907604186	854426799	/nfs/dbraw/zinc/42/67/99/854426799.db2.gz	PGCLQSQOSVJWEJ-UHFFFAOYSA-N	1	0	374.466	1.453	20	30		FDEDRO
C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NC1CCC(Oc2ncccc2C#N)CC1	ZINC000907615032	854459488	/nfs/dbraw/zinc/45/94/88/854459488.db2.gz	PUASGFZTPXDCJM-WIUGKXBGSA-N	1	0	358.442	1.215	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)NCc1ccc(S(=O)(=O)CCOC)cc1	ZINC000907736475	854587602	/nfs/dbraw/zinc/58/76/02/854587602.db2.gz	GZEWNRLBGDZULV-UHFFFAOYSA-N	1	0	354.472	1.231	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N[C@@H](C)CCNS(=O)(=O)c1ccccc1	ZINC000908061192	854939549	/nfs/dbraw/zinc/93/95/49/854939549.db2.gz	HTSMXCQJHYMFPE-HNNXBMFYSA-N	1	0	353.488	1.368	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N(CC(F)F)C1CCN(S(C)(=O)=O)CC1	ZINC000908044538	854952334	/nfs/dbraw/zinc/95/23/34/854952334.db2.gz	DAOYXIWPFQXHMC-UHFFFAOYSA-N	1	0	367.462	1.012	20	30		FDEDRO
CN(C)c1ccc([C@H](CNS(=O)(=O)N(C)CCC#N)[NH+](C)C)cc1	ZINC000908458335	855471615	/nfs/dbraw/zinc/47/16/15/855471615.db2.gz	UUMGVAHCZJPHGR-INIZCTEOSA-N	1	0	353.492	1.035	20	30		FDEDRO
C=CCn1c(-c2ncnc3[nH]cnc32)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1	ZINC000908715346	855720579	/nfs/dbraw/zinc/72/05/79/855720579.db2.gz	SMJOHDKIPGSLSW-CYBMUJFWSA-N	1	0	367.461	1.525	20	30		FDEDRO
C#CCCCc1nnc(N2CCC([NH+]3CCN(C)CC3)CC2)n1CCOC	ZINC000909208248	856306804	/nfs/dbraw/zinc/30/68/04/856306804.db2.gz	RXPSTPGKSAHOND-UHFFFAOYSA-N	1	0	374.533	1.097	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](N(C)c3ccccc3)C2)CC1	ZINC000668835764	857454481	/nfs/dbraw/zinc/45/44/81/857454481.db2.gz	JDFAYWQCROOZKT-LJQANCHMSA-N	1	0	370.497	1.490	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1	ZINC000910651254	857455683	/nfs/dbraw/zinc/45/56/83/857455683.db2.gz	BTLNJOVBDHUHLF-UHFFFAOYSA-N	1	0	374.466	1.762	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC2CC2)C[C@H]1C[NH2+]CC(=O)NCC#Cc1ccccc1	ZINC001105757359	862948877	/nfs/dbraw/zinc/94/88/77/862948877.db2.gz	ZTOMGVYFKDQNBL-YLJYHZDGSA-N	1	0	367.493	1.639	20	30		FDEDRO
CC[C@@]1(C)CCN(C(=O)C(=O)N(c2ccc(C#N)cn2)[C@@H]2CCC[NH2+]C2)C1	ZINC000910858675	857787890	/nfs/dbraw/zinc/78/78/90/857787890.db2.gz	RNBREBDGUGRNBH-UZLBHIALSA-N	1	0	369.469	1.687	20	30		FDEDRO
C#CCN(C(=O)C(=O)N(C)CC1(c2ccccc2)CC1)C1CC[NH+](C)CC1	ZINC000910888009	857842618	/nfs/dbraw/zinc/84/26/18/857842618.db2.gz	WPEBKWNZVZPMIB-UHFFFAOYSA-N	1	0	367.493	1.733	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c1	ZINC000910987518	857987939	/nfs/dbraw/zinc/98/79/39/857987939.db2.gz	PTCCBFZDOZOTNH-KBPBESRZSA-N	1	0	353.344	1.022	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)NCCCCCC2CC[NH2+]CC2)c1	ZINC000910988463	857988920	/nfs/dbraw/zinc/98/89/20/857988920.db2.gz	SACXSFLIFODHFF-UHFFFAOYSA-N	1	0	355.482	1.960	20	30		FDEDRO
CCc1cncc(C(=O)N[C@@H]2CN(Cc3cccc(C#N)c3)C[C@@H]2O)c1	ZINC001083644571	858450332	/nfs/dbraw/zinc/45/03/32/858450332.db2.gz	MRRIHQYPRUNEFK-MOPGFXCFSA-N	1	0	350.422	1.491	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1C#N	ZINC000911436839	858618395	/nfs/dbraw/zinc/61/83/95/858618395.db2.gz	WQUOWDWZLNRDPC-UONOGXRCSA-N	1	0	368.359	1.079	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21	ZINC000911574135	858797254	/nfs/dbraw/zinc/79/72/54/858797254.db2.gz	ODWGREAFUBBMLE-OXJNMPFZSA-N	1	0	355.438	1.559	20	30		FDEDRO
C=CCn1cccc1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000488839297	858823689	/nfs/dbraw/zinc/82/36/89/858823689.db2.gz	FQNJWYFXQUQHHT-UHFFFAOYSA-N	1	0	368.485	1.796	20	30		FDEDRO
COc1ccc(C#N)cc1CN1C[C@@H](NC(=O)c2cc(F)c[nH]2)[C@@H](O)C1	ZINC001083650680	859338725	/nfs/dbraw/zinc/33/87/25/859338725.db2.gz	IJVCEOVBWOSOBV-CVEARBPZSA-N	1	0	358.373	1.009	20	30		FDEDRO
CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)Cc2csc(C#N)c2)CC1	ZINC000916160819	881417408	/nfs/dbraw/zinc/41/74/08/881417408.db2.gz	GUWLYMVSSQAMCA-UHFFFAOYSA-N	1	0	370.544	1.455	20	30		FDEDRO
C#CCN(CC(=O)OC(C)(C)C)C(=O)CCCN1CC[NH+](C(C)C)CC1	ZINC000912401457	859719991	/nfs/dbraw/zinc/71/99/91/859719991.db2.gz	UMNOLSJACACOHR-UHFFFAOYSA-N	1	0	365.518	1.596	20	30		FDEDRO
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C(F)(F)c1ccccc1C#N	ZINC000912461045	859765699	/nfs/dbraw/zinc/76/56/99/859765699.db2.gz	HECZIENAGRVJOC-UHFFFAOYSA-N	1	0	352.385	1.128	20	30		FDEDRO
CCS(=O)(=O)CCNC(NCc1ccc(OC)cc1)=[NH+]C(C)(C)C	ZINC000912508443	859832457	/nfs/dbraw/zinc/83/24/57/859832457.db2.gz	NRSPJGUDNYSOHW-UHFFFAOYSA-N	1	0	355.504	1.964	20	30		FDEDRO
CC(C)[NH+]1CCN(CCCC(=O)N2CC(Nc3cccc(C#N)c3)C2)CC1	ZINC000912774003	860208419	/nfs/dbraw/zinc/20/84/19/860208419.db2.gz	IEGVMANJEUAOCD-UHFFFAOYSA-N	1	0	369.513	1.987	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)cn2)C[C@H]1C	ZINC001106869924	881515007	/nfs/dbraw/zinc/51/50/07/881515007.db2.gz	RYQXVGGHQQLXEC-IAGOWNOFSA-N	1	0	367.453	1.215	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCO[C@@H](C(C)C)C1	ZINC000669034576	860851643	/nfs/dbraw/zinc/85/16/43/860851643.db2.gz	RVIALKNGUCNLHM-ZACQAIPSSA-N	1	0	361.490	1.861	20	30		FDEDRO
C=CCn1c(-c2cn(C)nn2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1	ZINC000669038442	860916630	/nfs/dbraw/zinc/91/66/30/860916630.db2.gz	MEIFKNGKZMXNKY-PBHICJAKSA-N	1	0	368.489	1.713	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CC[C@@H]([NH+]2CCC2)C1	ZINC000912902781	861033543	/nfs/dbraw/zinc/03/35/43/861033543.db2.gz	FXBQMXXJRFDULO-HUUCEWRRSA-N	1	0	350.463	1.880	20	30		FDEDRO
COCCOCC[N@H+](C)CCC(=O)N1CCC(c2ccc(C#N)cn2)CC1	ZINC000912927846	861041181	/nfs/dbraw/zinc/04/11/81/861041181.db2.gz	UKPKOMVUDLZWRI-UHFFFAOYSA-N	1	0	374.485	1.644	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)N2CCC(c3ccc(C#N)cn3)CC2)CC1	ZINC000912932511	861045811	/nfs/dbraw/zinc/04/58/11/861045811.db2.gz	ZGPDUXJMTAMHLD-UHFFFAOYSA-N	1	0	355.486	1.687	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CCC[C@H](C#N)C2)c1	ZINC000916435313	881630516	/nfs/dbraw/zinc/63/05/16/881630516.db2.gz	GYCDLOTYAYCVDO-MRXNPFEDSA-N	1	0	357.458	1.423	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCO2)C[C@H]1C	ZINC001105796002	863227090	/nfs/dbraw/zinc/22/70/90/863227090.db2.gz	HYURRDLWDVBVII-ZACQAIPSSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1C	ZINC001105845852	863473174	/nfs/dbraw/zinc/47/31/74/863473174.db2.gz	YXHFOUFHGUTEFJ-OWCLPIDISA-N	1	0	361.490	1.521	20	30		FDEDRO
CC(C)CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C	ZINC001105849833	863485015	/nfs/dbraw/zinc/48/50/15/863485015.db2.gz	DLGFOQDDMADNJC-RBSFLKMASA-N	1	0	354.520	1.088	20	30		FDEDRO
COC(=O)NCC(=O)N1C[C@@H](C[NH2+]Cc2cc(C#N)ccc2F)[C@H](C)C1	ZINC001105879813	863608165	/nfs/dbraw/zinc/60/81/65/863608165.db2.gz	SIHOGNFOCQIJNA-IUODEOHRSA-N	1	0	362.405	1.237	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CC(F)(F)F)C[C@H]1C	ZINC001105896529	863772471	/nfs/dbraw/zinc/77/24/71/863772471.db2.gz	ZAMIXNFNGVWFSP-ZIAGYGMSSA-N	1	0	361.408	1.824	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccon2)[C@H](C)C1	ZINC001105910640	863925979	/nfs/dbraw/zinc/92/59/79/863925979.db2.gz	VVPVJNLQOQLCOO-RBSFLKMASA-N	1	0	364.446	1.278	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccn(C)c(=O)c2)[C@H](C)C1	ZINC001105912538	863942591	/nfs/dbraw/zinc/94/25/91/863942591.db2.gz	HQOTZMJJLZQRFB-SOLBZPMBSA-N	1	0	361.486	1.551	20	30		FDEDRO
C[NH+]1CCN(C[C@@H](NC(=O)N2CCC[C@@H](C#N)C2)c2ccccc2)CC1	ZINC000916522724	881711683	/nfs/dbraw/zinc/71/16/83/881711683.db2.gz	VUTZRYOQASDYIR-PKOBYXMFSA-N	1	0	355.486	1.920	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CCC2)[C@H](C)C1	ZINC001105912982	863949816	/nfs/dbraw/zinc/94/98/16/863949816.db2.gz	QRCQTBGKTKAUBA-JFIYKMOQSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)OC)C[C@H]1C	ZINC001105919164	864004096	/nfs/dbraw/zinc/00/40/96/864004096.db2.gz	CMODSLUXJYXXHC-IXDOHACOSA-N	1	0	353.507	1.520	20	30		FDEDRO
CC(C)c1cc(C(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@H]2O)no1	ZINC001077462255	864041920	/nfs/dbraw/zinc/04/19/20/864041920.db2.gz	KQEZZEHXHUJJLB-IAGOWNOFSA-N	1	0	354.410	1.645	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCOC[C@H]2C2CC2)[C@H](C)C1	ZINC001105929375	864063018	/nfs/dbraw/zinc/06/30/18/864063018.db2.gz	NGVNCLYBRNGUAY-NXHRZFHOSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NC(C)(C)C)[C@H](C)C1	ZINC001105929595	864069317	/nfs/dbraw/zinc/06/93/17/864069317.db2.gz	YRWLOSFNUDGWNP-QLFBSQMISA-N	1	0	366.506	1.650	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)Nc2ccccc2)[C@H](C)C1	ZINC001105937608	864130012	/nfs/dbraw/zinc/13/00/12/864130012.db2.gz	BSFXCLOJNSVNIZ-BRWVUGGUSA-N	1	0	359.470	1.900	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2nnc(C(F)F)s2)[C@H](C)C1	ZINC001105941760	864152254	/nfs/dbraw/zinc/15/22/54/864152254.db2.gz	KJDWZDDDTIRGNZ-GHMZBOCLSA-N	1	0	360.430	1.862	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)CSC)C[C@H]1C	ZINC001105945241	864180835	/nfs/dbraw/zinc/18/08/35/864180835.db2.gz	QLQLAABHUVSRHO-IXDOHACOSA-N	1	0	367.559	1.870	20	30		FDEDRO
CCC[NH+](CCC)CCCNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1	ZINC000916554590	881745549	/nfs/dbraw/zinc/74/55/49/881745549.db2.gz	QTFJCEVXZRBZFB-WBVHZDCISA-N	1	0	370.519	1.078	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCOC2)C[C@H]1C	ZINC001105969973	864275016	/nfs/dbraw/zinc/27/50/16/864275016.db2.gz	VBRKEWCZOHGJOC-FGTMMUONSA-N	1	0	363.502	1.298	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]C[C@H](O)CC(F)(F)F	ZINC001105985023	864345778	/nfs/dbraw/zinc/34/57/78/864345778.db2.gz	ANAPXONVFJSZJN-RAIGVLPGSA-N	1	0	358.364	1.497	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]Cc2nnc(CC)n2C)[C@H](C)C1	ZINC001105985415	864347471	/nfs/dbraw/zinc/34/74/71/864347471.db2.gz	JBUQAQWIMYYBKN-HZPDHXFCSA-N	1	0	363.506	1.544	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]CCOC[C@@H]1CCCO1	ZINC001105988699	864377135	/nfs/dbraw/zinc/37/71/35/864377135.db2.gz	FJUVBASCDRKJIL-OIISXLGYSA-N	1	0	360.458	1.380	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]CCCN1CCCC1=O	ZINC001105988982	864377637	/nfs/dbraw/zinc/37/76/37/864377637.db2.gz	KGZOMVBCTPNMRI-GDBMZVCRSA-N	1	0	357.458	1.197	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]CCCO[C@@H]1CCOC1	ZINC001105989293	864381764	/nfs/dbraw/zinc/38/17/64/864381764.db2.gz	WIZGOSKHIVMDFW-DJIMGWMZSA-N	1	0	360.458	1.380	20	30		FDEDRO
C=CCN1CC(=O)N(Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1=O	ZINC000761235601	864500313	/nfs/dbraw/zinc/50/03/13/864500313.db2.gz	USICMFGRBNSHSZ-QGZVFWFLSA-N	1	0	370.453	1.334	20	30		FDEDRO
COc1ccc(CN2CC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)[C@H]2C)cc1C#N	ZINC001088859373	864781719	/nfs/dbraw/zinc/78/17/19/864781719.db2.gz	ALKCDPLSHCSVFT-MDZRGWNJSA-N	1	0	370.497	1.988	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1sccc1C	ZINC001127195737	864972472	/nfs/dbraw/zinc/97/24/72/864972472.db2.gz	DEDXUYXDNCISIW-HUUCEWRRSA-N	1	0	362.499	1.628	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)/C=C/c2ccc[nH]2)C[C@H]1C	ZINC001106050488	865013821	/nfs/dbraw/zinc/01/38/21/865013821.db2.gz	QXQAHVYVMZXXPT-RKQNLGICSA-N	1	0	370.497	1.913	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)Nc2cc(C)no2)[C@H](C)C1	ZINC001106056880	865058631	/nfs/dbraw/zinc/05/86/31/865058631.db2.gz	JOAARWONRLZZKM-VNQPRFMTSA-N	1	0	360.458	1.798	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2cnc(OC)nc2C)[C@H](C)C1	ZINC001106059484	865070949	/nfs/dbraw/zinc/07/09/49/865070949.db2.gz	WHPUZLGSLSMKEX-VVFCZOMOSA-N	1	0	362.474	1.305	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nc(CCC)no2)[C@H](C)C1	ZINC001106058488	865071259	/nfs/dbraw/zinc/07/12/59/865071259.db2.gz	BPANZBGLCLLAKX-HBUWYVDXSA-N	1	0	350.463	1.533	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106874815	881861557	/nfs/dbraw/zinc/86/15/57/881861557.db2.gz	UMXVMXVLIJTNCK-SJLPKXTDSA-N	1	0	368.456	1.838	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](C[C@H](OC)C3CCCC3)[C@@H]2C)nn1	ZINC001088906904	865369888	/nfs/dbraw/zinc/36/98/88/865369888.db2.gz	QXZKUOWOFJLBQZ-HFTRVMKXSA-N	1	0	361.490	1.862	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1	ZINC000991894538	865446679	/nfs/dbraw/zinc/44/66/79/865446679.db2.gz	OZVQJQICHVBSSD-BZSNNMDCSA-N	1	0	361.486	1.027	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)C(C)(C)C)C[C@H]1C	ZINC001106877302	881884933	/nfs/dbraw/zinc/88/49/33/881884933.db2.gz	WQPGIHJGPSSLNA-DGCLKSJQSA-N	1	0	350.912	1.636	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](F)CC2CCCCC2)C[C@H]1C	ZINC001106882004	881908774	/nfs/dbraw/zinc/90/87/74/881908774.db2.gz	OJXYBHOVUGONHQ-NXHRZFHOSA-N	1	0	365.493	1.728	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](CC[C@@H]2CCOC2)[C@@H]1C	ZINC001088989787	865945844	/nfs/dbraw/zinc/94/58/44/865945844.db2.gz	OMUNHMSJZWQWOJ-NUJGCVRESA-N	1	0	357.454	1.713	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc4nonc4c3)[C@@H]2C)cn1	ZINC001088991392	865957557	/nfs/dbraw/zinc/95/75/57/865957557.db2.gz	XUIJCAOWGDNBFR-DYVFJYSZSA-N	1	0	361.405	1.992	20	30		FDEDRO
COc1c(C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)cnn1C	ZINC001089007994	866057004	/nfs/dbraw/zinc/05/70/04/866057004.db2.gz	ILMGRVGQTNSAPB-DYVFJYSZSA-N	1	0	353.426	1.693	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3ccn(CC)n3)[C@@H]2C)CC1	ZINC001089059672	866386237	/nfs/dbraw/zinc/38/62/37/866386237.db2.gz	VSZSDCQJERTUER-APWZRJJASA-N	1	0	357.502	1.327	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@H](OC)C1	ZINC000946769938	881987371	/nfs/dbraw/zinc/98/73/71/881987371.db2.gz	HPCSUNMIDPZRIP-BPLDGKMQSA-N	1	0	371.909	1.591	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)c2ccccc2C[NH+](C)C)C1	ZINC000992038582	867375646	/nfs/dbraw/zinc/37/56/46/867375646.db2.gz	ZAFCNKSCCCNIIX-OALUTQOASA-N	1	0	371.481	1.670	20	30		FDEDRO
C=CCC[C@@H](CO)NC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000457444175	867485258	/nfs/dbraw/zinc/48/52/58/867485258.db2.gz	BBWKZRZLKZRHKN-IBGZPJMESA-N	1	0	360.502	1.431	20	30		FDEDRO
C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](C(C)C)CC1	ZINC000282488980	882092077	/nfs/dbraw/zinc/09/20/77/882092077.db2.gz	CXLKWCSXJOJOIX-UHFFFAOYSA-N	1	0	355.446	1.642	20	30		FDEDRO
COc1ccnc(C(=N)Nc2ccccc2C(=O)N[C@H]2CC[C@H]([NH3+])CC2)n1	ZINC001168427586	867615465	/nfs/dbraw/zinc/61/54/65/867615465.db2.gz	FGTMCEUZKMKNSB-JOCQHMNTSA-N	1	0	368.441	1.522	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1	ZINC000992071371	867662062	/nfs/dbraw/zinc/66/20/62/867662062.db2.gz	NLTXBSVQTPOMTN-SQNIBIBYSA-N	1	0	363.502	1.558	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]C[C@@H](O)COCC(F)(F)F	ZINC001106101382	868095268	/nfs/dbraw/zinc/09/52/68/868095268.db2.gz	VRRIGWIUJIIXGL-BPLDGKMQSA-N	1	0	362.392	1.024	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(S(C)(=O)=O)o2)[C@H](C)C1	ZINC001106101809	868107326	/nfs/dbraw/zinc/10/73/26/868107326.db2.gz	HUDMQEVTEHWXRH-HUUCEWRRSA-N	1	0	366.483	1.527	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)CCC[C@@H]12	ZINC000992172190	868145270	/nfs/dbraw/zinc/14/52/70/868145270.db2.gz	NWRIMYCDCUZUCI-YZLZLFLDSA-N	1	0	363.502	1.702	20	30		FDEDRO
Cc1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)c1	ZINC001106105964	868163771	/nfs/dbraw/zinc/16/37/71/868163771.db2.gz	BBXGNMLJBCVYJG-RLLQIKCJSA-N	1	0	370.493	1.832	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C)C(=O)N1CCCCCC1	ZINC001106106002	868164114	/nfs/dbraw/zinc/16/41/14/868164114.db2.gz	CSNDRMZQIGNMFH-ZIFCJYIRSA-N	1	0	359.514	1.875	20	30		FDEDRO
C[C@H](C[NH2+]C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C)CS(C)(=O)=O	ZINC001106108228	868266124	/nfs/dbraw/zinc/26/61/24/868266124.db2.gz	SPYWJJIWWHJSCT-BZUAXINKSA-N	1	0	356.532	1.401	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@](C(=O)OC)(c2ccccc2)C1	ZINC000428804086	868303547	/nfs/dbraw/zinc/30/35/47/868303547.db2.gz	SPYCWMVNSDERTF-UZLBHIALSA-N	1	0	357.454	1.811	20	30		FDEDRO
CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000443333939	868406502	/nfs/dbraw/zinc/40/65/02/868406502.db2.gz	LAHOKEUEVYNMMC-UHFFFAOYSA-N	1	0	372.347	1.900	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@@H](C)CCC)[C@H](C)C1	ZINC001106117316	868594196	/nfs/dbraw/zinc/59/41/96/868594196.db2.gz	LKKYFQPZOZJSGG-IXDOHACOSA-N	1	0	351.491	1.015	20	30		FDEDRO
C=CCCOCCCCC(=O)N1C[C@@H](C[NH2+][C@@H]2CCNC2=O)[C@H](C)C1	ZINC001106122650	868872551	/nfs/dbraw/zinc/87/25/51/868872551.db2.gz	DCUFEZBGGDOPHP-BRWVUGGUSA-N	1	0	351.491	1.322	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@@H]2CCc3ncnn32)C1	ZINC001112330337	868970377	/nfs/dbraw/zinc/97/03/77/868970377.db2.gz	HXCXMMVWTKLVRT-ZWOKBUDYSA-N	1	0	355.486	1.787	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cnn(CCOC)c2C)C[C@H]1C	ZINC001106127883	869028695	/nfs/dbraw/zinc/02/86/95/869028695.db2.gz	WPLNYLWQECOEJO-IUODEOHRSA-N	1	0	354.882	1.888	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3N(C)C)C[C@@H]2O)cc1	ZINC001083690712	869083037	/nfs/dbraw/zinc/08/30/37/869083037.db2.gz	HHSGQLGLQGEHQK-CTNGQTDRSA-N	1	0	363.461	1.709	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)CC1	ZINC000913920827	869996365	/nfs/dbraw/zinc/99/63/65/869996365.db2.gz	XUTULYCZCRXKIJ-HNNXBMFYSA-N	1	0	352.442	1.725	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)CC1	ZINC000913920828	869997782	/nfs/dbraw/zinc/99/77/82/869997782.db2.gz	XUTULYCZCRXKIJ-OAHLLOKOSA-N	1	0	352.442	1.725	20	30		FDEDRO
CCC(=O)N[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1	ZINC001106163890	871498039	/nfs/dbraw/zinc/49/80/39/871498039.db2.gz	ARFJRTZNLCBNRM-HZSPNIEDSA-N	1	0	362.499	1.719	20	30		FDEDRO
Cc1csc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)c1Cl	ZINC001106170484	871561384	/nfs/dbraw/zinc/56/13/84/871561384.db2.gz	WCFNYXFCXZEBSH-ZYHUDNBSSA-N	1	0	368.890	1.647	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)c3ccn(C)c3)C[C@]2(C)C1	ZINC000992800173	872327200	/nfs/dbraw/zinc/32/72/00/872327200.db2.gz	TVJBCEYZRJDHBD-BBTUJRGHSA-N	1	0	368.481	1.043	20	30		FDEDRO
C[NH+](C)C1(C(=O)N2C[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@]3(C)C2)CCC1	ZINC000992814581	872506981	/nfs/dbraw/zinc/50/69/81/872506981.db2.gz	HWHBROBVQAXVIZ-HNAYVOBHSA-N	1	0	369.469	1.291	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)cc1	ZINC000994411134	882641292	/nfs/dbraw/zinc/64/12/92/882641292.db2.gz	JEEGJNOXROTVQI-VQIMIIECSA-N	1	0	365.477	1.588	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)nc(C)c2)C[C@H]1C	ZINC001106182520	873034300	/nfs/dbraw/zinc/03/43/00/873034300.db2.gz	XEBNAXYXWWYMRK-RPVQJOFSSA-N	1	0	358.486	1.687	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C[NH2+]CCNC(=O)NC(C)C)[C@H](C)C1	ZINC001106185528	873174639	/nfs/dbraw/zinc/17/46/39/873174639.db2.gz	OIDSPRYWJPZUFI-HZPDHXFCSA-N	1	0	352.523	1.980	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cscn2)CC1	ZINC001003363890	873218631	/nfs/dbraw/zinc/21/86/31/873218631.db2.gz	WLIQBPZMNRDDIJ-INMHGKMJSA-N	1	0	372.494	1.350	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)[C@H](C)C1	ZINC001106194584	873280615	/nfs/dbraw/zinc/28/06/15/873280615.db2.gz	TZICZOZZDHFZQT-IXDOHACOSA-N	1	0	371.547	1.308	20	30		FDEDRO
C[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000272190630	873415484	/nfs/dbraw/zinc/41/54/84/873415484.db2.gz	FHHFWNNPZHSYLO-ZBFHGGJFSA-N	1	0	367.453	1.278	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C2CC2)[C@H](C)C1)OCC	ZINC001106197028	873444473	/nfs/dbraw/zinc/44/44/73/873444473.db2.gz	BMOXLKXLPWKBMZ-JFIYKMOQSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001003500147	873606007	/nfs/dbraw/zinc/60/60/07/873606007.db2.gz	AMGZNQSZQFVOGB-VQHPVUNQSA-N	1	0	356.470	1.488	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCC(F)(F)C2)C[C@H]1C	ZINC001106225738	873971406	/nfs/dbraw/zinc/97/14/06/873971406.db2.gz	FEXCBNXTMUBKRA-QLFBSQMISA-N	1	0	355.429	1.245	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ncn(C)c32)C[C@H]1C	ZINC001106232937	874038840	/nfs/dbraw/zinc/03/88/40/874038840.db2.gz	QILXHHVPASLNRD-ZYHUDNBSSA-N	1	0	363.849	1.724	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3cnc(C)nc3)[C@H](C)C2)CCOCC1	ZINC001106235039	874046782	/nfs/dbraw/zinc/04/67/82/874046782.db2.gz	JKPPNKDQUGNQMA-VQIMIIECSA-N	1	0	370.497	1.789	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]C[C@@H]3CCNC(=O)CC3)[C@H](C)C2)CCC1	ZINC001106237117	874065300	/nfs/dbraw/zinc/06/53/00/874065300.db2.gz	FNQVFCSLZKIMIF-FGTMMUONSA-N	1	0	359.514	1.780	20	30		FDEDRO
C=CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1	ZINC000282343765	874071788	/nfs/dbraw/zinc/07/17/88/874071788.db2.gz	RUIAHCMFKHOELG-INIZCTEOSA-N	1	0	358.490	1.765	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C)C1	ZINC000993067269	874095594	/nfs/dbraw/zinc/09/55/94/874095594.db2.gz	KBGBNPFSQBIWTQ-LQWHRVPQSA-N	1	0	357.498	1.581	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(C)nc2)[C@@H](n2ccnn2)C1	ZINC001128700932	882796461	/nfs/dbraw/zinc/79/64/61/882796461.db2.gz	NPTKCVBIXPMZAL-NXHRZFHOSA-N	1	0	354.458	1.992	20	30		FDEDRO
CN1CCC(=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)C1=O	ZINC000761750670	874180051	/nfs/dbraw/zinc/18/00/51/874180051.db2.gz	VWCBBLBWBCNHDV-UHFFFAOYSA-N	1	0	359.499	1.333	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)Cc2cn(C)nc2C)C[C@H]1C	ZINC001106259647	874202679	/nfs/dbraw/zinc/20/26/79/874202679.db2.gz	UUGQTBKKINAPHS-IAQYHMDHSA-N	1	0	369.307	1.864	20	30		FDEDRO
CC(C)(C#N)c1ccc(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)cc1	ZINC000193085774	874262873	/nfs/dbraw/zinc/26/28/73/874262873.db2.gz	QJYPNFBIPJCVED-UHFFFAOYSA-N	1	0	372.469	1.655	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106270367	874304598	/nfs/dbraw/zinc/30/45/98/874304598.db2.gz	HFZZFIYVFMWWIS-BWPNAZKDSA-N	1	0	356.466	1.526	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@]2(CC(C)C)CCNC2=O)C[C@H]1C	ZINC001106278992	874367595	/nfs/dbraw/zinc/36/75/95/874367595.db2.gz	SOAQRTFYSRBHGI-HLIPFELVSA-N	1	0	365.518	1.426	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1	ZINC001106289947	874517633	/nfs/dbraw/zinc/51/76/33/874517633.db2.gz	LJQUTKOACXIOFU-RHSMWYFYSA-N	1	0	352.438	1.773	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2c(C)noc2C(F)F)C[C@H]1C	ZINC001106305429	874648738	/nfs/dbraw/zinc/64/87/38/874648738.db2.gz	XHOQIFFROZYLDC-DGCLKSJQSA-N	1	0	355.385	1.868	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1	ZINC001212414584	912216793	/nfs/dbraw/zinc/21/67/93/912216793.db2.gz	OXVKWCSQLMHUFL-IAGOWNOFSA-N	1	0	362.499	1.419	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCNC(=O)C2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106313343	874750495	/nfs/dbraw/zinc/75/04/95/874750495.db2.gz	XKRNBYILRSPAAU-SFGWALBWSA-N	1	0	367.493	1.639	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C/C=C/c2ccc(F)cc2)C[C@H]1C	ZINC001106313371	874751710	/nfs/dbraw/zinc/75/17/10/874751710.db2.gz	YHJHSCPUKIVEEM-FPZRGXOSSA-N	1	0	371.456	1.663	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC)[C@H](C)C1	ZINC001106331375	874805110	/nfs/dbraw/zinc/80/51/10/874805110.db2.gz	XDEHYVMXYDGNNV-BZUAXINKSA-N	1	0	359.470	1.684	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C	ZINC001106342721	874849591	/nfs/dbraw/zinc/84/95/91/874849591.db2.gz	AXHBWJSJXXPYAL-QZTJIDSGSA-N	1	0	366.550	1.415	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1C[NH2+]CC#Cc1cccc(Cl)c1	ZINC001106365732	874919800	/nfs/dbraw/zinc/91/98/00/874919800.db2.gz	YYSRUCJCGDEOTP-UKRRQHHQSA-N	1	0	357.845	1.808	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(=O)NC(C)C)C[C@H]1C	ZINC001106373560	874979075	/nfs/dbraw/zinc/97/90/75/874979075.db2.gz	JSIJAPQTUKUIBK-FGTMMUONSA-N	1	0	366.550	1.482	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(-c3ccco3)o2)C[C@H]1C	ZINC001106406349	875148410	/nfs/dbraw/zinc/14/84/10/875148410.db2.gz	GDARCNAECQEYBA-HUUCEWRRSA-N	1	0	369.421	1.587	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nc(Cl)sc2C)C[C@H]1C	ZINC001106407815	875155761	/nfs/dbraw/zinc/15/57/61/875155761.db2.gz	JEIABWXXVILYNV-ZYHUDNBSSA-N	1	0	370.906	1.705	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nc(C)n3ccccc23)C[C@H]1C	ZINC001106422174	875220838	/nfs/dbraw/zinc/22/08/38/875220838.db2.gz	QDNNGECUBWINQP-GDBMZVCRSA-N	1	0	369.469	1.243	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)[C@H]2C1	ZINC000272269057	875376890	/nfs/dbraw/zinc/37/68/90/875376890.db2.gz	AWPQHVKOWDFULJ-OCCSQVGLSA-N	1	0	358.446	1.001	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)c(C)cn2)C[C@H]1C	ZINC001106459631	875437159	/nfs/dbraw/zinc/43/71/59/875437159.db2.gz	XZCXVVBJIYPZAU-IXDOHACOSA-N	1	0	356.470	1.134	20	30		FDEDRO
CON=Cc1ccc(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1	ZINC000915090440	875497677	/nfs/dbraw/zinc/49/76/77/875497677.db2.gz	VXMKPPGKXHIUSR-UHFFFAOYSA-N	1	0	372.469	1.613	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2cccc(C3CC3)c2)C[C@H]1C	ZINC001106465341	875506433	/nfs/dbraw/zinc/50/64/33/875506433.db2.gz	KPJCKODAHCBARK-OXQOHEQNSA-N	1	0	367.493	1.540	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CC2)[C@H](C)C1	ZINC001106486043	875639930	/nfs/dbraw/zinc/63/99/30/875639930.db2.gz	KALASNVKLSBIJK-WRWLIDTKSA-N	1	0	365.518	1.426	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnn(C)c2-n2cccc2)C[C@H]1C	ZINC001106505072	875754971	/nfs/dbraw/zinc/75/49/71/875754971.db2.gz	CUQCAGHXCPQLEH-IAGOWNOFSA-N	1	0	369.469	1.158	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3cc(C)ccc3[nH]2)C[C@H]1C	ZINC001106508947	875767651	/nfs/dbraw/zinc/76/76/51/875767651.db2.gz	FSOZKLKGTLHCOJ-NVXWUHKLSA-N	1	0	366.465	1.523	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCCC3)[C@H](C)C2)cc1	ZINC001106511219	875779157	/nfs/dbraw/zinc/77/91/57/875779157.db2.gz	FEKOIBUDGQRQGF-VQIMIIECSA-N	1	0	353.466	1.588	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2ccccc2C(N)=O)C[C@H]1C	ZINC001106511638	875789569	/nfs/dbraw/zinc/78/95/69/875789569.db2.gz	OXXSGCOPMMQPGF-NVXWUHKLSA-N	1	0	359.470	1.215	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NCC)[C@H](C)C1	ZINC001106517524	875812185	/nfs/dbraw/zinc/81/21/85/875812185.db2.gz	IYAPVJRZFHVSHE-ZIAGYGMSSA-N	1	0	352.479	1.119	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)Nc2ncccn2)[C@H](C)C1	ZINC001106527182	875846094	/nfs/dbraw/zinc/84/60/94/875846094.db2.gz	KSPXNDYOONLULI-QLFBSQMISA-N	1	0	359.474	1.700	20	30		FDEDRO
C=C/C(C)=C\CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CCC#N)[C@H](C)C1	ZINC001106548579	875936434	/nfs/dbraw/zinc/93/64/34/875936434.db2.gz	GJWMGBPDVQAFMR-OLEITNIESA-N	1	0	360.502	1.955	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)[C@H](C)C1	ZINC001106559198	875966479	/nfs/dbraw/zinc/96/64/79/875966479.db2.gz	IUOVWCQLCAINCE-IXDOHACOSA-N	1	0	354.516	1.299	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)[C@H](C)CO3)C[C@H]1C	ZINC001106567083	875975062	/nfs/dbraw/zinc/97/50/62/875975062.db2.gz	UEPOHXSMUAVQIU-BFYDXBDKSA-N	1	0	369.465	1.230	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2csc(C)n2)C[C@H]1C	ZINC001106577206	876015633	/nfs/dbraw/zinc/01/56/33/876015633.db2.gz	DYTBZSBYOIUTMX-MBNYWOFBSA-N	1	0	350.488	1.440	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2cc(F)ccc2F)C[C@H]1C	ZINC001106593682	876070457	/nfs/dbraw/zinc/07/04/57/876070457.db2.gz	IKAPBABUAKGUOT-GDBMZVCRSA-N	1	0	350.409	1.841	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)COCC(F)(F)F)[C@H](C)C1	ZINC001106612296	876198450	/nfs/dbraw/zinc/19/84/50/876198450.db2.gz	SEVSHZMCEVWDQD-KFWWJZLASA-N	1	0	366.424	1.967	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCc2ccccc2)C[C@H]1C	ZINC001106618342	876233406	/nfs/dbraw/zinc/23/34/06/876233406.db2.gz	MOIVOCYDWVMFLC-IEBWSBKVSA-N	1	0	355.482	1.443	20	30		FDEDRO
N#Cc1cc(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H]3CCOC3)C2)c[nH]1	ZINC001099241297	876294660	/nfs/dbraw/zinc/29/46/60/876294660.db2.gz	WJBPVIPYAXESMP-ZLKJLUDKSA-N	1	0	356.348	1.515	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]C[C@@H]3CCS(=O)(=O)C3)[C@H](C)C2)CCC1	ZINC001106635893	876318977	/nfs/dbraw/zinc/31/89/77/876318977.db2.gz	JBLUEEIHBGGEOA-IXDOHACOSA-N	1	0	368.543	1.852	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]CCn3nc(C)cc3C)[C@H](C)C2)c1	ZINC001106650829	876390498	/nfs/dbraw/zinc/39/04/98/876390498.db2.gz	FSALLCUDAGARAW-FOIQADDNSA-N	1	0	365.481	1.874	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2cccnc2C)C[C@H]1C	ZINC001106663178	876440266	/nfs/dbraw/zinc/44/02/66/876440266.db2.gz	UUQGCMDJULFRLE-UWWQBHOKSA-N	1	0	358.486	1.307	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC(F)(F)C(F)F)C[C@H]1C	ZINC001106670347	876490774	/nfs/dbraw/zinc/49/07/74/876490774.db2.gz	BEPBFWPCMKHBAR-GHMZBOCLSA-N	1	0	353.360	1.263	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cn2nnc3c2CCCC3)C[C@H]1C	ZINC001106674423	876506142	/nfs/dbraw/zinc/50/61/42/876506142.db2.gz	UZDOPVFLOZZIGN-HZPDHXFCSA-N	1	0	361.490	1.044	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ocnc2C(F)F)C[C@H]1C	ZINC001106672350	876513802	/nfs/dbraw/zinc/51/38/02/876513802.db2.gz	RDHGIXBAOVVANJ-GRYCIOLGSA-N	1	0	370.400	1.601	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C3CC3)nc2C)C[C@H]1C	ZINC001106676671	876542491	/nfs/dbraw/zinc/54/24/91/876542491.db2.gz	YFVATZNIUXZVNL-RHSMWYFYSA-N	1	0	370.497	1.867	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2nn(C)c3c2CCCC3)C[C@H]1C	ZINC001106684856	876544232	/nfs/dbraw/zinc/54/42/32/876544232.db2.gz	QJABHDPWNXWKOJ-HZPDHXFCSA-N	1	0	360.502	1.799	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCOCC(F)(F)F)[C@H](C)C1	ZINC001106680146	876546376	/nfs/dbraw/zinc/54/63/76/876546376.db2.gz	AUUHDYILXPHOCI-TUVASFSCSA-N	1	0	364.408	1.841	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH]ccc32)C[C@H]1C	ZINC001106688515	876568832	/nfs/dbraw/zinc/56/88/32/876568832.db2.gz	NUXRXRKVMNCFSA-HUUCEWRRSA-N	1	0	354.454	1.768	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(OCC)c2)C[C@H]1C	ZINC001106701431	876617272	/nfs/dbraw/zinc/61/72/72/876617272.db2.gz	CPMGSVJIGZDHDN-NVXWUHKLSA-N	1	0	359.470	1.685	20	30		FDEDRO
COc1cc(CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)ccc1C#N	ZINC000282112846	876997868	/nfs/dbraw/zinc/99/78/68/876997868.db2.gz	AGZLSEZYPOPQCV-UHFFFAOYSA-N	1	0	356.470	1.697	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C2(NC(N)=O)CCCCC2)C[C@H]1C	ZINC001106729006	877073501	/nfs/dbraw/zinc/07/35/01/877073501.db2.gz	CNBPRWQPADGLLV-TZMCWYRMSA-N	1	0	356.898	1.794	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1	ZINC001003772829	877187146	/nfs/dbraw/zinc/18/71/46/877187146.db2.gz	YZPKFTMRHFIUKL-WBAXXEDZSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2ccccn2)[C@H](C)C1	ZINC001106732888	877262951	/nfs/dbraw/zinc/26/29/51/877262951.db2.gz	BKWQICMIKQIJHN-SUMDDJOVSA-N	1	0	358.486	1.737	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2cscn2)[C@H](C)C1	ZINC001106733749	877276408	/nfs/dbraw/zinc/27/64/08/877276408.db2.gz	GGFHWJKQIYGBGM-FRFSOERESA-N	1	0	364.515	1.798	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CC[C@]2(C1)CN(Cc1ccccc1)C(=O)CO2	ZINC000922283639	877317374	/nfs/dbraw/zinc/31/73/74/877317374.db2.gz	FWCXDLFLSOCNGP-FQEVSTJZSA-N	1	0	357.454	1.134	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1nnnc1C(C)C)C2	ZINC001112542213	877324400	/nfs/dbraw/zinc/32/44/00/877324400.db2.gz	LNDWFHOZTPJRKQ-YOEHRIQHSA-N	1	0	366.897	1.767	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2coc(C3CC3)n2)C[C@H]1C	ZINC001106739299	877349559	/nfs/dbraw/zinc/34/95/59/877349559.db2.gz	RAOZRYLBZSGTCM-VNHYZAJKSA-N	1	0	360.458	1.540	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4nncn4CC3)[C@H]2C1	ZINC001083147740	912224418	/nfs/dbraw/zinc/22/44/18/912224418.db2.gz	BKKHSCJIDAPOER-YESZJQIVSA-N	1	0	359.474	1.108	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cnc(C3CC3)[nH]c2=O)C[C@H]1C	ZINC001106739649	877358470	/nfs/dbraw/zinc/35/84/70/877358470.db2.gz	XXCUNYHWDYUMFK-UKRRQHHQSA-N	1	0	360.458	1.560	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCCCN2C(C)=O)C[C@H]1C	ZINC001106755827	877569383	/nfs/dbraw/zinc/56/93/83/877569383.db2.gz	BQNWTUOAXHCNLE-BHIYHBOVSA-N	1	0	363.502	1.111	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)nn2)C[C@H]1C	ZINC001106757928	877588444	/nfs/dbraw/zinc/58/84/44/877588444.db2.gz	JEESSCRILXISKO-HZPDHXFCSA-N	1	0	370.457	1.163	20	30		FDEDRO
CNC(=O)C1(C(=O)N2C[C@@H](C[NH2+]Cc3cccc(C#N)c3)[C@H](C)C2)CC1	ZINC001106759490	877596043	/nfs/dbraw/zinc/59/60/43/877596043.db2.gz	WCVWQVYKUNITJU-RHSMWYFYSA-N	1	0	354.454	1.269	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2c(C)noc2Cl)C[C@H]1C	ZINC001106761670	877615528	/nfs/dbraw/zinc/61/55/28/877615528.db2.gz	QROPHEDJFGSUKA-TZMCWYRMSA-N	1	0	353.850	1.513	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(C(F)(F)F)n[nH]2)C[C@H]1C	ZINC001106763214	877617498	/nfs/dbraw/zinc/61/74/98/877617498.db2.gz	ZMHRNGSOXFKHEB-VXGBXAGGSA-N	1	0	358.364	1.376	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@]3(C)C2)C1	ZINC000993388143	877782352	/nfs/dbraw/zinc/78/23/52/877782352.db2.gz	VPWJQWMUHOPICN-OXJNMPFZSA-N	1	0	357.498	1.745	20	30		FDEDRO
CCc1ccc(C#CC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)cc1	ZINC000922346391	877829967	/nfs/dbraw/zinc/82/99/67/877829967.db2.gz	SRHFHIHEYBJGQM-OAQYLSRUSA-N	1	0	369.509	1.513	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nccs2)C[C@H]1C	ZINC001106792576	877946351	/nfs/dbraw/zinc/94/63/51/877946351.db2.gz	PUFJQUDVJKBXLD-HUUCEWRRSA-N	1	0	364.515	1.865	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@H]1C	ZINC001106802524	878047631	/nfs/dbraw/zinc/04/76/31/878047631.db2.gz	AKUYDORJJCIAKK-BXKDBHETSA-N	1	0	369.263	1.320	20	30		FDEDRO
CN(C)C(=O)COc1cccc(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)c1	ZINC000763232821	878278384	/nfs/dbraw/zinc/27/83/84/878278384.db2.gz	VHSIEAVIGYYGOK-IBGZPJMESA-N	1	0	353.422	1.848	20	30		FDEDRO
Cc1onc(CC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)c1C#N	ZINC000499932625	878616781	/nfs/dbraw/zinc/61/67/81/878616781.db2.gz	UDVYBFMSKNMRPX-UHFFFAOYSA-N	1	0	356.426	1.697	20	30		FDEDRO
C=CCOc1ccc(C[NH2+]C[C@]2(OC)CCS(=O)(=O)C2)cc1OC	ZINC000922615729	878790526	/nfs/dbraw/zinc/79/05/26/878790526.db2.gz	OFORLQJLNZQZSS-QGZVFWFLSA-N	1	0	355.456	1.553	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2OC)CC1	ZINC000946587683	878801564	/nfs/dbraw/zinc/80/15/64/878801564.db2.gz	RXTPAYGPOZURSA-QZTJIDSGSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCn2nc(C)nc2C)C1	ZINC001033086296	878822131	/nfs/dbraw/zinc/82/21/31/878822131.db2.gz	GJJCENPZQSCOQS-KURKYZTESA-N	1	0	361.490	1.409	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2c2nc(C)cc(C#N)n2)CC[N@@H+]1C	ZINC001061466140	878902626	/nfs/dbraw/zinc/90/26/26/878902626.db2.gz	FPSSLTDEIIGNFM-YESZJQIVSA-N	1	0	356.474	1.472	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)C2=O)cc1	ZINC000329766122	878943814	/nfs/dbraw/zinc/94/38/14/878943814.db2.gz	XSSYZWXCHJSMCS-PKOBYXMFSA-N	1	0	366.465	1.998	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)C3CCN(C(=O)C(C)C)CC3)[C@H]2C1	ZINC001083159316	912406666	/nfs/dbraw/zinc/40/66/66/912406666.db2.gz	UWPPMYRLJHCEBQ-ZWKOTPCHSA-N	1	0	363.502	1.369	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(C#N)c2)C1	ZINC001004351424	879191918	/nfs/dbraw/zinc/19/19/18/879191918.db2.gz	BSVQTTNICJLDCT-YYQUZTFQSA-N	1	0	355.442	1.090	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)c3ccco3)[C@H](C)C2)CC1	ZINC000993687730	879233845	/nfs/dbraw/zinc/23/38/45/879233845.db2.gz	FAAUIDGHKWEARM-NVXWUHKLSA-N	1	0	357.454	1.449	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C3)nc1	ZINC001004370402	879274979	/nfs/dbraw/zinc/27/49/79/879274979.db2.gz	TZBLKZXZVNYTEP-RWQQGDIJSA-N	1	0	366.465	1.266	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3cnc4ccc(C)cc43)[C@H]2C1	ZINC001083174242	912482288	/nfs/dbraw/zinc/48/22/88/912482288.db2.gz	YFBBFJCABBIBKA-RBUKOAKNSA-N	1	0	352.438	1.280	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2OC)C1	ZINC000946618462	879698599	/nfs/dbraw/zinc/69/85/99/879698599.db2.gz	YWQHVLCVOBFYOH-HZPDHXFCSA-N	1	0	363.502	1.559	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccn4c[nH+]cc4c2)C3)c1	ZINC001004561043	879865897	/nfs/dbraw/zinc/86/58/97/879865897.db2.gz	HICXWNFFHDBRSX-KYJSFNMBSA-N	1	0	374.404	1.710	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCC3CCCCCC3)C[C@@H]2O)nn1	ZINC001083843721	879963315	/nfs/dbraw/zinc/96/33/15/879963315.db2.gz	VOYMAWHIPZBSRI-AEFFLSMTSA-N	1	0	361.490	1.600	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)CC[N@@H+]1C	ZINC000993917257	880143062	/nfs/dbraw/zinc/14/30/62/880143062.db2.gz	CERNQKSYOXHIPU-LFVTVUPYSA-N	1	0	371.485	1.441	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1	ZINC000993961934	880180281	/nfs/dbraw/zinc/18/02/81/880180281.db2.gz	VFTLHZWRQBBWDZ-LNLFQRSKSA-N	1	0	363.502	1.558	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC000994050340	880546020	/nfs/dbraw/zinc/54/60/20/880546020.db2.gz	FKJOPYZNKYPUPM-FRFSOERESA-N	1	0	369.469	1.052	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)c3ccco3)C[C@H]2C)CC1	ZINC000994135708	880893667	/nfs/dbraw/zinc/89/36/67/880893667.db2.gz	KCDRXKNKMNQFFK-NVXWUHKLSA-N	1	0	357.454	1.449	20	30		FDEDRO
C=C(C)CNC(=S)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	ZINC000916016130	881293690	/nfs/dbraw/zinc/29/36/90/881293690.db2.gz	LXLUWJIQCBVJRQ-UHFFFAOYSA-N	1	0	352.548	1.751	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNC(=O)N2C[C@H](C)N(CC#N)[C@@H](C)C2)CC1	ZINC000917419322	883397910	/nfs/dbraw/zinc/39/79/10/883397910.db2.gz	PVJIBSDNXHVBMI-HOTGVXAUSA-N	1	0	365.522	1.504	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCCN2C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC001005442629	883399566	/nfs/dbraw/zinc/39/95/66/883399566.db2.gz	QNWBNWXQNFTMTH-HYVNUMGLSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CCC[C@@H]2C2CCCCC2)c1=O	ZINC000917478584	883452947	/nfs/dbraw/zinc/45/29/47/883452947.db2.gz	OVEOGJIQPTUANU-QGZVFWFLSA-N	1	0	374.485	1.546	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC1	ZINC000917545424	883515462	/nfs/dbraw/zinc/51/54/62/883515462.db2.gz	SVBHRHUDNSPSAW-UHFFFAOYSA-N	1	0	369.462	1.352	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)Cc2ccc(CC#N)cc2)CC1	ZINC000917545359	883515816	/nfs/dbraw/zinc/51/58/16/883515816.db2.gz	RWVVUCGOHHQKMY-UHFFFAOYSA-N	1	0	365.499	1.407	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[N@@H+](CCc2ccc(OC)cc2)C[C@@H]1n1ccnn1	ZINC001128821244	883721691	/nfs/dbraw/zinc/72/16/91/883721691.db2.gz	NKUCIOPEAPWWLU-MOPGFXCFSA-N	1	0	369.469	1.837	20	30		FDEDRO
C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000245382424	883776560	/nfs/dbraw/zinc/77/65/60/883776560.db2.gz	JBKPOEWGNIFJLN-OAGGEKHMSA-N	1	0	356.470	1.771	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)[C@@H](n2ccnn2)C1	ZINC001128860829	883865142	/nfs/dbraw/zinc/86/51/42/883865142.db2.gz	PNSVFGKTEMOJAN-WKULXVSPSA-N	1	0	359.474	1.258	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cccc(=O)[nH]2)[C@@H](n2ccnn2)C1	ZINC001128861111	883865701	/nfs/dbraw/zinc/86/57/01/883865701.db2.gz	TUDBEIXTAAKWRH-BMFZPTHFSA-N	1	0	356.430	1.389	20	30		FDEDRO
CCC/C=C/CC[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](n2ccnn2)C1	ZINC001128878388	883917878	/nfs/dbraw/zinc/91/78/78/883917878.db2.gz	RCWZOGQXAPIMHZ-ZLKFPQNLSA-N	1	0	367.457	1.880	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCc2ccnn2C)C1	ZINC001034213394	883940891	/nfs/dbraw/zinc/94/08/91/883940891.db2.gz	UMQAFOPZORERRA-QRQLOZEOSA-N	1	0	360.502	1.915	20	30		FDEDRO
C=CCN1CC[C@@H]([NH+]2CCC(N(C)C(=O)[C@H]3OCC[C@H]3CC)CC2)C1=O	ZINC001005530541	884014838	/nfs/dbraw/zinc/01/48/38/884014838.db2.gz	QPBYYFRNGILVDD-NXHRZFHOSA-N	1	0	363.502	1.511	20	30		FDEDRO
Cc1cccc(C)c1C[N@@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@@H](n2ccnn2)C1	ZINC001128966924	884481715	/nfs/dbraw/zinc/48/17/15/884481715.db2.gz	SUEJDMRQQGDHNG-UXHICEINSA-N	1	0	363.465	1.850	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCCC2CCC2)C[C@@H]1n1ccnn1	ZINC001128988852	884801172	/nfs/dbraw/zinc/80/11/72/884801172.db2.gz	GNMJJQGTPZFZTO-NXHRZFHOSA-N	1	0	359.474	1.238	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1	ZINC000670510604	884927564	/nfs/dbraw/zinc/92/75/64/884927564.db2.gz	UIODRKUCVBNKMC-SFHVURJKSA-N	1	0	359.470	1.983	20	30		FDEDRO
COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)CC2)cc1C#N	ZINC001034736062	884928968	/nfs/dbraw/zinc/92/89/68/884928968.db2.gz	SQKGMEHYQDEZSF-VQHPVUNQSA-N	1	0	370.453	1.205	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CCc3ncnn32)CC1	ZINC001034739442	884933696	/nfs/dbraw/zinc/93/36/96/884933696.db2.gz	SDCWLRCMOZTAGF-HHARLNAUSA-N	1	0	359.474	1.374	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)CNc3ccc(C#N)cn3)cc2)CC1	ZINC000918857448	884963100	/nfs/dbraw/zinc/96/31/00/884963100.db2.gz	OWAPHTICVGMPFH-UHFFFAOYSA-N	1	0	364.453	1.433	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000498538447	885178262	/nfs/dbraw/zinc/17/82/62/885178262.db2.gz	DKELIWNWDIBTPQ-QZTJIDSGSA-N	1	0	369.469	1.300	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ccc(OC)nn2)C1	ZINC000999539782	912910404	/nfs/dbraw/zinc/91/04/04/912910404.db2.gz	PGBANJKTVAANLR-OBQMCRIKSA-N	1	0	360.458	1.545	20	30		FDEDRO
Cc1onc(CC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)c1C#N	ZINC000498560085	885265341	/nfs/dbraw/zinc/26/53/41/885265341.db2.gz	MHYCYYBPDHPMLC-UHFFFAOYSA-N	1	0	368.437	1.670	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO	ZINC000919268537	885475781	/nfs/dbraw/zinc/47/57/81/885475781.db2.gz	LAUPDPPFILUBFD-DLBZAZTESA-N	1	0	363.483	1.146	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3ccc(-n4cccn4)cc3)C[C@@H]2O)C1	ZINC001083758845	885507671	/nfs/dbraw/zinc/50/76/71/885507671.db2.gz	WEKDPISSFHQWGQ-MOPGFXCFSA-N	1	0	366.465	1.890	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CC[C@@H](C(N)=O)C2)cc1	ZINC001035050895	885552986	/nfs/dbraw/zinc/55/29/86/885552986.db2.gz	DAGVQLMIRGRABV-FGTMMUONSA-N	1	0	354.454	1.540	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cnccc2C)[C@@H](n2ccnn2)C1	ZINC001129052453	885578984	/nfs/dbraw/zinc/57/89/84/885578984.db2.gz	FRXBLIHBYFMSHB-UHOSZYNNSA-N	1	0	368.485	1.920	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnnn1CC	ZINC001035071862	885599087	/nfs/dbraw/zinc/59/90/87/885599087.db2.gz	GXCAONJBTCTXKT-NJAFHUGGSA-N	1	0	361.490	1.750	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)c2ccncc2)[C@@H](n2ccnn2)C1	ZINC001129065220	885629410	/nfs/dbraw/zinc/62/94/10/885629410.db2.gz	RLPNKJMYOWDBRR-NXHRZFHOSA-N	1	0	352.442	1.232	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ncc(OC)cn2)[C@@H](n2ccnn2)C1	ZINC001129094079	885724626	/nfs/dbraw/zinc/72/46/26/885724626.db2.gz	YPGGTMLGSXCLML-IMJJTQAJSA-N	1	0	371.445	1.087	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N[C@H](C)CC)[C@H](C)C2)cn1	ZINC001106894236	885739390	/nfs/dbraw/zinc/73/93/90/885739390.db2.gz	GWCCNFXVFPBDKL-BFYDXBDKSA-N	1	0	356.470	1.275	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@](C)(C=C)CCOC)[C@@H](n2ccnn2)C1	ZINC001129127930	885822396	/nfs/dbraw/zinc/82/23/96/885822396.db2.gz	NWDXQSOYXNCREE-ZIFCJYIRSA-N	1	0	361.490	1.815	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)COCC(F)F)[C@@H](n2ccnn2)C1	ZINC001129128594	885827366	/nfs/dbraw/zinc/82/73/66/885827366.db2.gz	ZRUQNMKIVXGFNU-MCIONIFRSA-N	1	0	357.405	1.256	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCCOC)C[C@@H]2n2ccnn2)cc1	ZINC001129143829	885860137	/nfs/dbraw/zinc/86/01/37/885860137.db2.gz	HYJPWMDASCKLTE-MOPGFXCFSA-N	1	0	367.453	1.341	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1	ZINC000994625021	886226090	/nfs/dbraw/zinc/22/60/90/886226090.db2.gz	AYZZAWSBFWMQRS-FRQCXROJSA-N	1	0	370.497	1.775	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CCCc2ccc(C)cc2)[C@@H](n2ccnn2)C1	ZINC001129214559	886583201	/nfs/dbraw/zinc/58/32/01/886583201.db2.gz	HLRGXEKCKFZLON-UXHICEINSA-N	1	0	365.481	1.974	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCN(c2ccc(C)cc2)C1=O)C1CC[NH+](C)CC1	ZINC000920391838	886930901	/nfs/dbraw/zinc/93/09/01/886930901.db2.gz	SQZIBQWQEPMADB-LJQANCHMSA-N	1	0	368.481	1.839	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CCCCCOC)C[C@@H]2n2ccnn2)C1	ZINC001129257595	886931890	/nfs/dbraw/zinc/93/18/90/886931890.db2.gz	KVYBDWNYIOMUNH-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cccnc2C)[C@@H](n2ccnn2)C1	ZINC001129262531	886980392	/nfs/dbraw/zinc/98/03/92/886980392.db2.gz	SCEXQZUPPMOBQF-IPELMVKDSA-N	1	0	368.485	1.920	20	30		FDEDRO
C#CCOCCC(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001062213181	886989337	/nfs/dbraw/zinc/98/93/37/886989337.db2.gz	NFTXTJKMYWLEKI-FGTMMUONSA-N	1	0	363.502	1.254	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C	ZINC001062251524	887014602	/nfs/dbraw/zinc/01/46/02/887014602.db2.gz	KLDZRWYPWNKIOI-ZACQAIPSSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC	ZINC001062292443	887034595	/nfs/dbraw/zinc/03/45/95/887034595.db2.gz	BIIFUCIHRKDIDH-ZACQAIPSSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)OCc2ccncc2)[C@@H](n2ccnn2)C1	ZINC001129266467	887051785	/nfs/dbraw/zinc/05/17/85/887051785.db2.gz	LKKUIFFXGGJEMN-JQHSSLGASA-N	1	0	370.457	1.196	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2OCC[C@H]2C)[C@@H](n2ccnn2)C1	ZINC001129267009	887056375	/nfs/dbraw/zinc/05/63/75/887056375.db2.gz	UHKLBQLGIVOXOQ-BDXSIMOUSA-N	1	0	361.490	1.791	20	30		FDEDRO
Cn1ncc2c1CCC[C@H]2NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1	ZINC000330220860	887277155	/nfs/dbraw/zinc/27/71/55/887277155.db2.gz	QOXGBGHWLWUWHO-OAHLLOKOSA-N	1	0	357.462	2.287	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(CC2CC[NH+](C3CCOCC3)CC2)C1=O	ZINC000925334796	887549117	/nfs/dbraw/zinc/54/91/17/887549117.db2.gz	NMGLSXXQYNKJNO-MRXNPFEDSA-N	1	0	351.447	1.000	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](n2cc(C[NH2+]C(C)C)nn2)C1	ZINC001089592633	887559977	/nfs/dbraw/zinc/55/99/77/887559977.db2.gz	WTRNXRZWFKADSG-SQNIBIBYSA-N	1	0	361.490	1.921	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCC[C@H]([S@](=O)CC)C1)C1CC[NH+](C)CC1	ZINC000921349673	887765816	/nfs/dbraw/zinc/76/58/16/887765816.db2.gz	BSPGRJSXFVHPMA-QEEIZYTISA-N	1	0	353.532	1.805	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F	ZINC000923035534	887861498	/nfs/dbraw/zinc/86/14/98/887861498.db2.gz	MFJMYXUIJXUSMZ-OWCLPIDISA-N	1	0	354.372	1.735	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1	ZINC000763452056	888062720	/nfs/dbraw/zinc/06/27/20/888062720.db2.gz	GBYDUFSQVQDLAM-FQEVSTJZSA-N	1	0	355.482	1.927	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(COC)cc2)C[C@H]1OC	ZINC001212258180	888077306	/nfs/dbraw/zinc/07/73/06/888077306.db2.gz	OHLWPWDYMPYRLQ-KFKAGJAMSA-N	1	0	360.454	1.187	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(Cl)cn2)C[C@H]1C	ZINC001106901405	888132879	/nfs/dbraw/zinc/13/28/79/888132879.db2.gz	COBFBJWXWQEEFP-HZSPNIEDSA-N	1	0	364.877	1.723	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CC2(Cl)Cl)C[C@H]1OC	ZINC001212262603	888169202	/nfs/dbraw/zinc/16/92/02/888169202.db2.gz	ULFXBFQWZVGUOH-BFHYXJOUSA-N	1	0	363.285	1.426	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ccccc3C2)C[C@H]1OC	ZINC001212262727	888171848	/nfs/dbraw/zinc/17/18/48/888171848.db2.gz	XHVDRMDVCBMWLH-DUXKGJEZSA-N	1	0	370.493	1.647	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCCOc2ccccc2)C[C@H]1OC	ZINC001212264175	888223440	/nfs/dbraw/zinc/22/34/40/888223440.db2.gz	BVSIDFAYHDVKCY-BHIYHBOVSA-N	1	0	360.454	1.309	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)c2C)C[C@H]1OC	ZINC001212264660	888245470	/nfs/dbraw/zinc/24/54/70/888245470.db2.gz	NDRKJPVDCLFJKK-SZVBFZGTSA-N	1	0	360.454	1.357	20	30		FDEDRO
C#CCN(C(=O)NCCC1N=NC(=S)N1C(C)C)C1CC[NH+](C)CC1	ZINC000923212167	888410185	/nfs/dbraw/zinc/41/01/85/888410185.db2.gz	LANBWLBCIHSPOS-UHFFFAOYSA-N	1	0	364.519	1.429	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1	ZINC000923246563	888546276	/nfs/dbraw/zinc/54/62/76/888546276.db2.gz	VDKJRWHCHNBWFG-MRXNPFEDSA-N	1	0	370.453	1.197	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1OC	ZINC001212268139	888593444	/nfs/dbraw/zinc/59/34/44/888593444.db2.gz	SUSWDAORLJLKLL-KZNAEPCWSA-N	1	0	354.491	1.601	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](CCCc2nc(C)no2)CC1	ZINC001006015053	888745285	/nfs/dbraw/zinc/74/52/85/888745285.db2.gz	BLHYTTXOCPXFHM-SJORKVTESA-N	1	0	362.474	1.825	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)C[C@@H]2O)c1	ZINC001083765222	888893918	/nfs/dbraw/zinc/89/39/18/888893918.db2.gz	TUIUPKSFKWIVEK-UXHICEINSA-N	1	0	360.417	1.519	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCc3ccccc3CC)C[C@@H]2O)c1	ZINC001083764838	888903908	/nfs/dbraw/zinc/90/39/08/888903908.db2.gz	AAUMLNKNLLWHPO-RTWAWAEBSA-N	1	0	363.461	1.643	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)CC[C@H]2CCCC[N@@H+]2C)CC1	ZINC000245554568	889015068	/nfs/dbraw/zinc/01/50/68/889015068.db2.gz	HGZVIVCVHVGHGM-MOPGFXCFSA-N	1	0	363.550	1.485	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)CN2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)cc1	ZINC000923377158	889048854	/nfs/dbraw/zinc/04/88/54/889048854.db2.gz	GIVMCGAMRILEOF-MOXGXCLJSA-N	1	0	355.413	1.864	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)CN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1	ZINC000923401458	889139702	/nfs/dbraw/zinc/13/97/02/889139702.db2.gz	NHYVOUPBGVTBIR-FMKPAKJESA-N	1	0	357.376	1.757	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnn(CCOC)c2C)[C@H](OC)C1	ZINC001212277652	889140946	/nfs/dbraw/zinc/14/09/46/889140946.db2.gz	RZZSNHVSBOCJBR-ZTFGCOKTSA-N	1	0	364.490	1.622	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccccc2Cl)C[C@H]1C	ZINC001106907855	889193347	/nfs/dbraw/zinc/19/33/47/889193347.db2.gz	GDKYMIGXZKNYKR-RBSFLKMASA-N	1	0	361.873	1.776	20	30		FDEDRO
C[NH+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2Nc2ncccc2C#N)CC1	ZINC001090283648	889416734	/nfs/dbraw/zinc/41/67/34/889416734.db2.gz	FOIOANJPHCAWMN-MJGOQNOKSA-N	1	0	371.485	1.713	20	30		FDEDRO
C[C@@H](NC(=O)CNc1ccc(C#N)cn1)C1([NH+]2CCOCC2)CCCC1	ZINC000329046317	889490415	/nfs/dbraw/zinc/49/04/15/889490415.db2.gz	VAAXVGRHIKYCJV-OAHLLOKOSA-N	1	0	357.458	2.355	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)Nc1nccs1	ZINC001127605272	889514245	/nfs/dbraw/zinc/51/42/45/889514245.db2.gz	WJKDTUMUPPUTND-UPJWGTAASA-N	1	0	352.460	1.157	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1cn(C)nc1-c1ccccc1	ZINC000180792701	889719061	/nfs/dbraw/zinc/71/90/61/889719061.db2.gz	MIFMTCUTONCWGB-UHFFFAOYSA-N	1	0	356.474	1.084	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@H]1CCN(c2ccc(C)cc2)C1=O	ZINC001127608820	889726910	/nfs/dbraw/zinc/72/69/10/889726910.db2.gz	IJZJBGYMWLWVFG-QYZOEREBSA-N	1	0	371.481	1.787	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCCNCc1cn(-c2ccccc2)nn1	ZINC001127609292	889739646	/nfs/dbraw/zinc/73/96/46/889739646.db2.gz	UKEBOTSCMLTLLS-MSOLQXFVSA-N	1	0	355.442	1.454	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC([C@H](C)NC(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC001006165321	889912147	/nfs/dbraw/zinc/91/21/47/889912147.db2.gz	SQUFCTKDTLADLZ-ZOCIIQOWSA-N	1	0	357.498	1.341	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC([C@@H](C)NC(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC001006165314	889912168	/nfs/dbraw/zinc/91/21/68/889912168.db2.gz	SQUFCTKDTLADLZ-MDASCCDHSA-N	1	0	357.498	1.341	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)Cc2nnn(-c3ccc(C)cc3)c2C)C1	ZINC000923583845	889948206	/nfs/dbraw/zinc/94/82/06/889948206.db2.gz	UPDMVSYENMGVIR-QGZVFWFLSA-N	1	0	351.454	1.640	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)C1	ZINC000923582407	889972965	/nfs/dbraw/zinc/97/29/65/889972965.db2.gz	NOUNUKGMWBBDIP-UKRRQHHQSA-N	1	0	361.392	1.532	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)c2cc(C3CC3)nc3c2c(=O)[nH]n3C)C1	ZINC000923582426	889973063	/nfs/dbraw/zinc/97/30/63/889973063.db2.gz	ORWFXFKJJYWSNC-CYBMUJFWSA-N	1	0	353.426	1.379	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2nnn(C(C)(C)C)n2)[C@H](OC)C1	ZINC001212303547	889991046	/nfs/dbraw/zinc/99/10/46/889991046.db2.gz	HTRVXWARUGVXMP-HUUCEWRRSA-N	1	0	366.510	1.828	20	30		FDEDRO
C=CCOCCCC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CCC1	ZINC001062750731	890029663	/nfs/dbraw/zinc/02/96/63/890029663.db2.gz	OMTPMPNSDWCFRB-HUUCEWRRSA-N	1	0	360.458	1.651	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)Cn2ccnc2C(C)C)[C@@H](n2ccnn2)C1	ZINC001129289150	890068714	/nfs/dbraw/zinc/06/87/14/890068714.db2.gz	RNNKPLIQGBUGAJ-SJORKVTESA-N	1	0	371.489	1.606	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cn(CC)nc2C)[C@@H](n2ccnn2)C1	ZINC001129288647	890073079	/nfs/dbraw/zinc/07/30/79/890073079.db2.gz	HGRJCFNRQGBCOY-QGTPRVQTSA-N	1	0	371.489	1.813	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)NCC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCC1	ZINC001062870526	890081295	/nfs/dbraw/zinc/08/12/95/890081295.db2.gz	GKYHPCFFDVPZHL-DAYGRLMNSA-N	1	0	351.491	1.199	20	30		FDEDRO
C[C@H](C#N)CNC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000248452028	890146751	/nfs/dbraw/zinc/14/67/51/890146751.db2.gz	PQZIIDIQZOGQLZ-RHSMWYFYSA-N	1	0	357.458	1.343	20	30		FDEDRO
CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCN(c2nc(C)cc(C#N)n2)C1	ZINC001063146146	890241871	/nfs/dbraw/zinc/24/18/71/890241871.db2.gz	NIIPYWNPMHTAAA-DJIMGWMZSA-N	1	0	356.474	1.424	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1(NC(=O)CC[NH+](C)C)CCC1	ZINC001063188608	890274146	/nfs/dbraw/zinc/27/41/46/890274146.db2.gz	FRSSRKYCVRJJNL-RDJZCZTQSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(NC(=O)C2(C[NH+](C)C)CC2)CCC1	ZINC001063204669	890293847	/nfs/dbraw/zinc/29/38/47/890293847.db2.gz	KJKNTEOYJWVREK-HOTGVXAUSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCN1CC[C@H](N2C[C@@H](NC(=O)C(C)(C)C(=C)Cl)[C@H](OC)C2)C1=O	ZINC001212337317	890322782	/nfs/dbraw/zinc/32/27/82/890322782.db2.gz	HYFJPTNVASWNIX-QLFBSQMISA-N	1	0	369.893	1.367	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1OC	ZINC001212338110	890340019	/nfs/dbraw/zinc/34/00/19/890340019.db2.gz	COZMORHKHSRGCJ-BZUAXINKSA-N	1	0	351.491	1.320	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCCN(c3cnc(C#N)cn3)C2)CC[N@@H+]1C	ZINC001063241335	890377989	/nfs/dbraw/zinc/37/79/89/890377989.db2.gz	VCINKONAVPUQEU-HYVNUMGLSA-N	1	0	356.474	1.554	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1OC	ZINC001212340543	890442630	/nfs/dbraw/zinc/44/26/30/890442630.db2.gz	MSQXAQXMVCZEDH-BRWVUGGUSA-N	1	0	354.491	1.600	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1OC	ZINC001212340545	890444722	/nfs/dbraw/zinc/44/47/22/890444722.db2.gz	MSQXAQXMVCZEDH-GVDBMIGSSA-N	1	0	354.491	1.600	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC(CCNc3ccncc3C#N)CC2)CC[N@@H+]1C	ZINC001063341627	890477244	/nfs/dbraw/zinc/47/72/44/890477244.db2.gz	IZJAFRGXAFYLAX-CRAIPNDOSA-N	1	0	355.486	1.756	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C(C)C)cc2)C[C@H]1C	ZINC001106914379	890641620	/nfs/dbraw/zinc/64/16/20/890641620.db2.gz	JFWSLOQBCNOKIU-VQIMIIECSA-N	1	0	355.482	1.857	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccnn2CC(C)C)[C@H](OC)C1	ZINC001212342863	890746287	/nfs/dbraw/zinc/74/62/87/890746287.db2.gz	XFJOTKJBOYRUJT-NVXWUHKLSA-N	1	0	350.463	1.171	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2C)c1	ZINC000940011139	891627114	/nfs/dbraw/zinc/62/71/14/891627114.db2.gz	PDCDXUBCFXYPOQ-CRAIPNDOSA-N	1	0	366.465	1.268	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(C#N)c[nH]2)C3)CC[N@@H+]1C	ZINC001001906170	891640828	/nfs/dbraw/zinc/64/08/28/891640828.db2.gz	ZJVLYYFNPIPDMV-VJHAZISPSA-N	1	0	369.469	1.478	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cn4cccn4)[C@@H]3C2)cc1	ZINC001084188672	913611664	/nfs/dbraw/zinc/61/16/64/913611664.db2.gz	NAYILMLAPLRAIG-IEBWSBKVSA-N	1	0	365.437	1.518	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(C#N)c1)C2	ZINC001002130351	891964665	/nfs/dbraw/zinc/96/46/65/891964665.db2.gz	LGRDPZBNHYFRMH-TVFCKZIOSA-N	1	0	369.469	1.622	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1	ZINC000940301682	892228283	/nfs/dbraw/zinc/22/82/83/892228283.db2.gz	SGIVJEPBTNETDN-BRWVUGGUSA-N	1	0	358.486	1.593	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=O)NC2CC[NH+](CCOC)CC2)c1	ZINC000140451176	892329207	/nfs/dbraw/zinc/32/92/07/892329207.db2.gz	ZKRUOXDMJSSHNM-UHFFFAOYSA-N	1	0	358.442	1.016	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1cccc(-n2cc(C[NH2+]CC)nn2)c1	ZINC001089973731	892436225	/nfs/dbraw/zinc/43/62/25/892436225.db2.gz	RAOKEIOLKZHCOL-OALUTQOASA-N	1	0	369.469	1.974	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCO)C1	ZINC001112541432	892632345	/nfs/dbraw/zinc/63/23/45/892632345.db2.gz	WXJFOFSDNCYOLO-LNLFQRSKSA-N	1	0	351.491	1.058	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)cc1Cl	ZINC000921913289	892793234	/nfs/dbraw/zinc/79/32/34/892793234.db2.gz	XCCCNKSKSHKMNM-CQSZACIVSA-N	1	0	369.874	1.743	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2coc3ccc(F)cc23)C[C@H]1C	ZINC001106927532	892978129	/nfs/dbraw/zinc/97/81/29/892978129.db2.gz	SYOQHJNHRZZQCC-ZIAGYGMSSA-N	1	0	371.412	1.619	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cncnc2C2CC2)C[C@H]1C	ZINC001106937209	893074031	/nfs/dbraw/zinc/07/40/31/893074031.db2.gz	NZCNXUKBEOIINE-IJEWVQPXSA-N	1	0	371.485	1.342	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC(C)(C)C(F)(F)F)C[C@H]1C	ZINC001106937240	893074812	/nfs/dbraw/zinc/07/48/12/893074812.db2.gz	PTEZKZLUOBRIGX-CHWSQXEVSA-N	1	0	361.408	1.399	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C(F)(F)F)CC[C@H]2C)CC1	ZINC000672355508	893175046	/nfs/dbraw/zinc/17/50/46/893175046.db2.gz	ZEGIDOSSDPIBCJ-OLZOCXBDSA-N	1	0	361.408	1.942	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)COc2ccccc2C)C[C@H]1C	ZINC001106942663	893306863	/nfs/dbraw/zinc/30/68/63/893306863.db2.gz	UBTBJBUGGUTQDI-KZNAEPCWSA-N	1	0	371.481	1.196	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1	ZINC000672442087	893582860	/nfs/dbraw/zinc/58/28/60/893582860.db2.gz	AZJDMTDQWKNCIJ-UHFFFAOYSA-N	1	0	351.491	1.561	20	30		FDEDRO
CC[C@H](C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1OC)[NH+](C)C	ZINC001212461042	893834640	/nfs/dbraw/zinc/83/46/40/893834640.db2.gz	PFQSIPDZQQPXNF-BZUAXINKSA-N	1	0	350.488	1.275	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)CC1(C)C	ZINC000941093353	893846133	/nfs/dbraw/zinc/84/61/33/893846133.db2.gz	NEIVTFPVCWKKMP-JZXOWHBKSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CC[C@@H](CO)[NH2+]Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000921996068	893953784	/nfs/dbraw/zinc/95/37/84/893953784.db2.gz	VSSLPUZWJQTJFV-GJZGRUSLSA-N	1	0	365.478	1.877	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc3ccccc3o2)C[C@H]1C	ZINC001106950311	893999205	/nfs/dbraw/zinc/99/92/05/893999205.db2.gz	AICQQFARUJCFQI-HLLBOEOZSA-N	1	0	367.449	1.868	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1	ZINC000941202591	894195386	/nfs/dbraw/zinc/19/53/86/894195386.db2.gz	FUVSMMTVKZMNDN-KSZLIROESA-N	1	0	363.502	1.513	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cnc3ccccn3c2=O)[C@H](OC)C1	ZINC001212467338	894267086	/nfs/dbraw/zinc/26/70/86/894267086.db2.gz	WWVLJJYHJFQXAK-USXIJHARSA-N	1	0	370.453	1.478	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CNC(=O)Cc2ccccc2)C[C@H]1C	ZINC001106952883	894365095	/nfs/dbraw/zinc/36/50/95/894365095.db2.gz	FFJGZTMDUWVNAC-IEBWSBKVSA-N	1	0	357.498	1.996	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cnn(-c2ccccn2)c1C	ZINC000922022841	894402536	/nfs/dbraw/zinc/40/25/36/894402536.db2.gz	BUSAUWNCULELNL-UHFFFAOYSA-N	1	0	373.482	1.294	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)OC	ZINC000922023329	894422866	/nfs/dbraw/zinc/42/28/66/894422866.db2.gz	GFNTVVUGVNHJBC-HOTGVXAUSA-N	1	0	356.488	1.077	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-]	ZINC000922023650	894430383	/nfs/dbraw/zinc/43/03/83/894430383.db2.gz	KMYPDBKOHMTTSU-UHFFFAOYSA-N	1	0	351.428	1.621	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c[nH]nc1C(F)(F)F	ZINC000922022374	894507880	/nfs/dbraw/zinc/50/78/80/894507880.db2.gz	LIURCSOQEORTJI-UHFFFAOYSA-N	1	0	350.366	1.147	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)C[C@H]1COc2ccccc2O1	ZINC000922027025	894546585	/nfs/dbraw/zinc/54/65/85/894546585.db2.gz	XWMFAEBHAQFNMJ-MRXNPFEDSA-N	1	0	364.467	1.186	20	30		FDEDRO
C=C(Cl)CN1CC(N2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1	ZINC000941413651	894940801	/nfs/dbraw/zinc/94/08/01/894940801.db2.gz	BSCCJWMHBZEVQR-DLBZAZTESA-N	1	0	354.926	1.298	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2ccccc2OC)C[C@H]1C	ZINC001106957081	894959361	/nfs/dbraw/zinc/95/93/61/894959361.db2.gz	NRWKUUGYDUQPKY-SJLPKXTDSA-N	1	0	371.481	1.061	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C2C[NH+](CCCC3CCC3)C2)CC1	ZINC000941574860	895294525	/nfs/dbraw/zinc/29/45/25/895294525.db2.gz	XEFYIEMLDNFNGU-UXHICEINSA-N	1	0	361.530	1.986	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1	ZINC000941645493	895472888	/nfs/dbraw/zinc/47/28/88/895472888.db2.gz	MJYKBLHIKIHACY-ZACQAIPSSA-N	1	0	361.486	1.313	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCc2cccs2)C[C@H]1C	ZINC001106960299	895490903	/nfs/dbraw/zinc/49/09/03/895490903.db2.gz	JGCTYSGBRLPKDO-HZPDHXFCSA-N	1	0	361.511	1.504	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)nn2)C1	ZINC001000013497	896493438	/nfs/dbraw/zinc/49/34/38/896493438.db2.gz	HQDPREKFAAOQFJ-QKDSSNGWSA-N	1	0	371.485	1.531	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3OCC[C@H]3C(C)C)nn2)C1	ZINC000999988706	896522112	/nfs/dbraw/zinc/52/21/12/896522112.db2.gz	XMEKTYLZCPVURY-SQNIBIBYSA-N	1	0	359.474	1.226	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)CCC3)C[C@H]1C	ZINC001106968957	896860199	/nfs/dbraw/zinc/86/01/99/896860199.db2.gz	BRLBDLVJJLIAEJ-DNVCBOLYSA-N	1	0	355.482	1.775	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3cccc(C#N)c3)C[C@H]2O)CC1	ZINC001077927914	896926025	/nfs/dbraw/zinc/92/60/25/896926025.db2.gz	MPTCUANLOGQQAM-WOJBJXKFSA-N	1	0	370.497	1.340	20	30		FDEDRO
C=CC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)n1	ZINC001128113431	897206985	/nfs/dbraw/zinc/20/69/85/897206985.db2.gz	WGBOOCSOWJHTBY-GGPKGHCWSA-N	1	0	370.497	1.867	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@@H]1CN(Cc2ncccc2C)C[C@H]1O	ZINC001077977792	897282116	/nfs/dbraw/zinc/28/21/16/897282116.db2.gz	PIZSUIXHOXEYLX-IAGOWNOFSA-N	1	0	368.437	1.325	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2cccnc2OCC(F)F)CC1	ZINC000921713779	897285792	/nfs/dbraw/zinc/28/57/92/897285792.db2.gz	WXLDCBCUOAEKTL-UHFFFAOYSA-N	1	0	352.385	1.622	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccn(C)c(=O)c2)C1	ZINC001032040800	897597245	/nfs/dbraw/zinc/59/72/45/897597245.db2.gz	UTZIKESTTOIMAR-HKUYNNGSSA-N	1	0	359.470	1.305	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2CCO[C@H]2C=C)C1	ZINC000995269040	897665355	/nfs/dbraw/zinc/66/53/55/897665355.db2.gz	QHWMRTUPHHBXFY-AQNXPRMDSA-N	1	0	353.466	1.956	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)C1(C[NH+](C)C)CC1	ZINC001078074861	897845476	/nfs/dbraw/zinc/84/54/76/897845476.db2.gz	SHLZUNAHFVIVPO-JYJNAYRXSA-N	1	0	351.491	1.320	20	30		FDEDRO
C[N@@H+]1CC[C@H](C(=O)N2CC[C@@]3(CNC(=O)c4ccc(C#N)[nH]4)CCC[C@@H]23)C1	ZINC000995282964	897851184	/nfs/dbraw/zinc/85/11/84/897851184.db2.gz	PXYUXFKGUQOZIF-JNAXZKDPSA-N	1	0	369.469	1.339	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@H]1O	ZINC001078082081	897907737	/nfs/dbraw/zinc/90/77/37/897907737.db2.gz	CBCQFXQKDBYGHG-XUVXKRRUSA-N	1	0	356.466	1.331	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1	ZINC000942846385	897946676	/nfs/dbraw/zinc/94/66/76/897946676.db2.gz	CRSQBYDLYABDSM-KURKYZTESA-N	1	0	363.502	1.369	20	30		FDEDRO
N#Cc1cccc(CN2C[C@@H](O)[C@H](NC(=O)c3cn4ccccc4n3)C2)c1	ZINC001078122189	898090645	/nfs/dbraw/zinc/09/06/45/898090645.db2.gz	OVJJBKGVJQKQTH-SJLPKXTDSA-N	1	0	361.405	1.181	20	30		FDEDRO
CC[C@@H](C)C(=O)NCC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1	ZINC001106994304	898254733	/nfs/dbraw/zinc/25/47/33/898254733.db2.gz	IPFVBUMJFKFCPC-QWFCFKBJSA-N	1	0	369.509	1.885	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000943200451	898509868	/nfs/dbraw/zinc/50/98/68/898509868.db2.gz	SKXSRYWTBXLLQH-XYJFISCASA-N	1	0	371.485	1.728	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cnc(C)nc2)C1	ZINC001078474194	898809572	/nfs/dbraw/zinc/80/95/72/898809572.db2.gz	XGQCGPKYHWQLKO-KSZLIROESA-N	1	0	360.458	1.083	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1occc1C[NH+](C)C	ZINC001078535271	898883750	/nfs/dbraw/zinc/88/37/50/898883750.db2.gz	INSSJTKUYNVUSI-IMJJTQAJSA-N	1	0	363.458	1.557	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)C(C)C)C[C@H]1C	ZINC001107000335	898950290	/nfs/dbraw/zinc/95/02/90/898950290.db2.gz	QDSAYAGWXGSPMF-KURKYZTESA-N	1	0	365.518	1.520	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2ccnc2)[C@H](OC)C1	ZINC001212441984	899034096	/nfs/dbraw/zinc/03/40/96/899034096.db2.gz	BLEHBFRKYRXHGM-FGTMMUONSA-N	1	0	364.490	1.488	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccco2)C[C@H]1C	ZINC001107002452	899159006	/nfs/dbraw/zinc/15/90/06/899159006.db2.gz	APUYEONGYHOJIW-ZIAGYGMSSA-N	1	0	371.441	1.270	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2nc(C3CC3)nn2C)C[C@H]1C	ZINC001107009100	899495215	/nfs/dbraw/zinc/49/52/15/899495215.db2.gz	LESPFOQSOCHCMP-GDBMZVCRSA-N	1	0	361.490	1.122	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C[NH2+]Cc1nncn1C	ZINC001107016777	899552316	/nfs/dbraw/zinc/55/23/16/899552316.db2.gz	DSFVPVWAZIVBDV-SJLPKXTDSA-N	1	0	351.454	1.441	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)NC(=O)NCCC)C[C@H]1C	ZINC001107030603	899646102	/nfs/dbraw/zinc/64/61/02/899646102.db2.gz	OCMNDXOSQOIDHX-TZMCWYRMSA-N	1	0	358.914	1.911	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1	ZINC000944076540	899849523	/nfs/dbraw/zinc/84/95/23/899849523.db2.gz	YFQLVXJMZKDTTM-ZACQAIPSSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)Cc1[nH]cnc1C	ZINC000944175357	899945977	/nfs/dbraw/zinc/94/59/77/899945977.db2.gz	DSRKJJSSVPOGGY-INMHGKMJSA-N	1	0	360.458	1.349	20	30		FDEDRO
CCS(=O)(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1	ZINC001107035674	899992487	/nfs/dbraw/zinc/99/24/87/899992487.db2.gz	TUICWGYNCKIBMA-CHWSQXEVSA-N	1	0	369.512	1.239	20	30		FDEDRO
Cc1ccc2[nH]cc(C(=O)N3C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C3)c2c1	ZINC001107045795	900097784	/nfs/dbraw/zinc/09/77/84/900097784.db2.gz	LRCRIOVEIXDBHQ-HUUCEWRRSA-N	1	0	367.453	1.414	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]CCOCCO)[C@H](C)C2)CCCCC1	ZINC001107057047	900239824	/nfs/dbraw/zinc/23/98/24/900239824.db2.gz	JKLWMHWLWFNWLY-QZTJIDSGSA-N	1	0	350.503	1.653	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C(N)=O)cc2)[C@H](C)C1	ZINC001107062697	900375539	/nfs/dbraw/zinc/37/55/39/900375539.db2.gz	PQHDORPJVYZLIF-RVKKMQEKSA-N	1	0	359.470	1.561	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NCCC(C)C)[C@H](C)C1	ZINC001107062977	900392772	/nfs/dbraw/zinc/39/27/72/900392772.db2.gz	YAQSJIAWBRXAQN-FGTMMUONSA-N	1	0	367.534	1.814	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)N2CCCC2=O)C[C@H]1C	ZINC001107072495	900507140	/nfs/dbraw/zinc/50/71/40/900507140.db2.gz	RQMUVUDAORAOSD-LMMKCTJWSA-N	1	0	365.518	1.520	20	30		FDEDRO
CC(C)C[C@H](C(N)=O)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1	ZINC001107094508	900830064	/nfs/dbraw/zinc/83/00/64/900830064.db2.gz	GNHHJCYJSDEXQZ-ATZDWAIDSA-N	1	0	370.497	1.890	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(C)C(C)(C)C2(C)C)C[C@H]1C	ZINC001107094767	900831280	/nfs/dbraw/zinc/83/12/80/900831280.db2.gz	OGGJZLAKZXMRJZ-OWCLPIDISA-N	1	0	361.530	1.881	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC3(CCN(c4nccnc4C#N)C3)CC2)CC[N@@H+]1C	ZINC001063604214	901024434	/nfs/dbraw/zinc/02/44/34/901024434.db2.gz	MDNKITHWYFRHIE-HZPDHXFCSA-N	1	0	368.485	1.507	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)COCc2ccccc2C)[C@@H](n2ccnn2)C1	ZINC001129312410	901273534	/nfs/dbraw/zinc/27/35/34/901273534.db2.gz	CNDKCBITLMXLEC-MOPGFXCFSA-N	1	0	369.469	1.721	20	30		FDEDRO
COC(=O)C1(C)CCC(NC(=[NH2+])c2ccc(S(C)(=O)=O)cc2)CC1	ZINC001168763966	901289433	/nfs/dbraw/zinc/28/94/33/901289433.db2.gz	JUDZHPGRHIFREN-UHFFFAOYSA-N	1	0	352.456	1.917	20	30		FDEDRO
C[N@@H+]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000272887183	901628517	/nfs/dbraw/zinc/62/85/17/901628517.db2.gz	YRGNBOGKWDWALZ-QGZVFWFLSA-N	1	0	355.442	1.401	20	30		FDEDRO
N#Cc1cncc(N2C[C@@H]3CCN(C(=O)CCC[NH+]4CCCC4)[C@@H]3C2)n1	ZINC001090317704	901650413	/nfs/dbraw/zinc/65/04/13/901650413.db2.gz	GZQJTKLIGQOHSB-DOTOQJQBSA-N	1	0	354.458	1.261	20	30		FDEDRO
O=C(N[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@@H]1O)[C@@H]1CC12CCCC2	ZINC001083921841	901719479	/nfs/dbraw/zinc/71/94/79/901719479.db2.gz	XFHHIHNWWNQLPM-OTWHNJEPSA-N	1	0	356.441	1.919	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2cnc(C#N)cn2)CC[N@@H+]1C	ZINC001065170799	901882769	/nfs/dbraw/zinc/88/27/69/901882769.db2.gz	CJGNUSPACZAHNH-MXASKKJJSA-N	1	0	354.458	1.258	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCCOC2)C1	ZINC001079128495	901934490	/nfs/dbraw/zinc/93/44/90/901934490.db2.gz	ZQFDDQFQVORXSS-XUVXKRRUSA-N	1	0	356.466	1.510	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cc(OC)no2)C1	ZINC001079131351	901942046	/nfs/dbraw/zinc/94/20/46/901942046.db2.gz	PAQNABXNCNNYFV-IAGOWNOFSA-N	1	0	371.437	1.947	20	30		FDEDRO
CC#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccn(C)n2)C1	ZINC001079147036	901970169	/nfs/dbraw/zinc/97/01/69/901970169.db2.gz	SYEXFNPMCGLGSD-RTBURBONSA-N	1	0	352.438	1.131	20	30		FDEDRO
C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[C@H]1c1ccc(F)cc1	ZINC001079150418	901983181	/nfs/dbraw/zinc/98/31/81/901983181.db2.gz	QPLQDBRVJRWMQY-ZNZDAUKMSA-N	1	0	370.428	1.994	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CCn2cccn2)C1	ZINC001079174667	902056218	/nfs/dbraw/zinc/05/62/18/902056218.db2.gz	BPRBZRKNADHFSB-FHLIZLRMSA-N	1	0	355.417	1.766	20	30		FDEDRO
C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1c1cccc(F)c1	ZINC001079178187	902063815	/nfs/dbraw/zinc/06/38/15/902063815.db2.gz	YNCBQQGRDBCPTA-ULFGMLNVSA-N	1	0	356.401	1.604	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2[nH]c(=O)[nH]c2C)CC[C@H]1c1ccc(F)cc1	ZINC001079154799	902069609	/nfs/dbraw/zinc/06/96/09/902069609.db2.gz	WTLYMYNRJPPXJB-JKSUJKDBSA-N	1	0	356.401	1.784	20	30		FDEDRO
O=C(C#CC1CC1)NCCCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)CC1	ZINC001079160653	902084020	/nfs/dbraw/zinc/08/40/20/902084020.db2.gz	DJQGDDHUSSVXCQ-VQTJNVASSA-N	1	0	371.525	1.877	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCCCCC[NH+]1CCN(C(C)=O)CC1	ZINC001079161249	902085511	/nfs/dbraw/zinc/08/55/11/902085511.db2.gz	YGICHWPWTJBTCP-MSOLQXFVSA-N	1	0	351.491	1.418	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@H]1c1cccc(F)c1	ZINC001079199589	902099564	/nfs/dbraw/zinc/09/95/64/902099564.db2.gz	BYZCIVTWIVLFAV-AKHDSKFASA-N	1	0	366.440	1.880	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCC)C2)C[C@H]1c1cccc(F)c1	ZINC001079200616	902101037	/nfs/dbraw/zinc/10/10/37/902101037.db2.gz	BEBZWVXNFWOFSI-NZSAHSFTSA-N	1	0	371.456	1.601	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)=O)C[C@H]1c1cccc(F)c1	ZINC001079207299	902114033	/nfs/dbraw/zinc/11/40/33/902114033.db2.gz	YWKFPAKYEDRDDG-OTWHNJEPSA-N	1	0	359.445	1.907	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1c1cccc(F)c1	ZINC001079186197	902130349	/nfs/dbraw/zinc/13/03/49/902130349.db2.gz	FNQPYZZMAMXWOS-JKSUJKDBSA-N	1	0	363.824	1.754	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCn2ccccc2=O)C[C@H]1c1cccc(F)c1	ZINC001079186468	902131827	/nfs/dbraw/zinc/13/18/27/902131827.db2.gz	NEGAZZZVGLWKGO-RBUKOAKNSA-N	1	0	367.424	1.595	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3nnnn3c2)C[C@H]1c1cccc(F)c1	ZINC001079191566	902147929	/nfs/dbraw/zinc/14/79/29/902147929.db2.gz	WTNUXLJLOHOBES-DLBZAZTESA-N	1	0	364.384	1.094	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cn(CC)nn2)C[C@H]1c1cccc(F)c1	ZINC001079192523	902150969	/nfs/dbraw/zinc/15/09/69/902150969.db2.gz	LVQIUSHVVQSGJU-ZWKOTPCHSA-N	1	0	355.417	1.197	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccoc2CC(N)=O)C[C@H]1c1cccc(F)c1	ZINC001079196304	902159321	/nfs/dbraw/zinc/15/93/21/902159321.db2.gz	IJMHKEWMIVSRJV-DLBZAZTESA-N	1	0	371.412	1.830	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)C3CC(F)(F)C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079234604	902172660	/nfs/dbraw/zinc/17/26/60/902172660.db2.gz	UPQPFBBIABVQBV-JKSUJKDBSA-N	1	0	352.425	1.994	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3cc(=O)n(C)o3)[C@@H]3COC[C@@H]32)CC1	ZINC001079238132	902180846	/nfs/dbraw/zinc/18/08/46/902180846.db2.gz	JIVVUYGJXQOHCE-LSDHHAIUSA-N	1	0	361.442	1.107	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)/C=C/c3ccc[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079239094	902183851	/nfs/dbraw/zinc/18/38/51/902183851.db2.gz	BJFFPMTYVXXFFN-HMTUNPETSA-N	1	0	353.466	1.991	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc(C(C)C)n(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079240320	902186788	/nfs/dbraw/zinc/18/67/88/902186788.db2.gz	HZLHBNGSJWCCES-QFBILLFUSA-N	1	0	370.497	1.730	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)CCc3c[nH]cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079244801	902249422	/nfs/dbraw/zinc/24/94/22/902249422.db2.gz	GNNPIBARTCEUIQ-ZWKOTPCHSA-N	1	0	356.470	1.305	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)CCc3ccn(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079244704	902249485	/nfs/dbraw/zinc/24/94/85/902249485.db2.gz	AOWJGYAFXLXDFA-RBUKOAKNSA-N	1	0	370.497	1.315	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc(C4CC4)nn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079245094	902254175	/nfs/dbraw/zinc/25/41/75/902254175.db2.gz	WUQAMRWPEZXRPF-QFBILLFUSA-N	1	0	368.481	1.484	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc(OC)cs3)[C@@H]3COC[C@@H]32)CC1	ZINC001079254556	902281323	/nfs/dbraw/zinc/28/13/23/902281323.db2.gz	IJZCJQWBXOWKLU-JKSUJKDBSA-N	1	0	360.479	1.943	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)Cc3ccnc(OC)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079260087	902297601	/nfs/dbraw/zinc/29/76/01/902297601.db2.gz	ZSMORYOMMXANDE-ZWKOTPCHSA-N	1	0	369.465	1.205	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cc(C4CC4)n[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079261686	902300338	/nfs/dbraw/zinc/30/03/38/902300338.db2.gz	BXXWBRCQFOSKHT-QFBILLFUSA-N	1	0	368.481	1.863	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3ccnc(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079273774	902301020	/nfs/dbraw/zinc/30/10/20/902301020.db2.gz	PLTLPDXDVDEKTP-FUHWJXTLSA-N	1	0	356.470	1.914	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)COc3cccnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079265307	902310405	/nfs/dbraw/zinc/31/04/05/902310405.db2.gz	COMBNUTWNZMFPV-RBUKOAKNSA-N	1	0	371.481	1.976	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cc(CC)on3)[C@@H]3COC[C@@H]32)CC1	ZINC001079270283	902328080	/nfs/dbraw/zinc/32/80/80/902328080.db2.gz	KWCXPWPMWMJOJD-FUHWJXTLSA-N	1	0	357.454	1.813	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ncccc3Cl)[C@@H]3COC[C@@H]32)CC1	ZINC001079271489	902333961	/nfs/dbraw/zinc/33/39/61/902333961.db2.gz	QYBXYBRBGHDAPI-GOEBONIOSA-N	1	0	359.857	1.921	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(CC[NH+](CCF)CC2)[C@H]2COC[C@H]21	ZINC001079242929	902338598	/nfs/dbraw/zinc/33/85/98/902338598.db2.gz	AVOOCNJZXIZXNQ-XDNAFOTISA-N	1	0	366.477	1.877	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]([NH2+]CCc2ccnn2C)C(C)(C)C1	ZINC000995829759	902344330	/nfs/dbraw/zinc/34/43/30/902344330.db2.gz	DDLIEQXHJYZXJZ-SQNIBIBYSA-N	1	0	360.502	1.770	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccnc3n[nH]nc32)C[C@H]1c1ccccc1F	ZINC001079302690	902351921	/nfs/dbraw/zinc/35/19/21/902351921.db2.gz	FHOYIXOKAMJUAL-GOEBONIOSA-N	1	0	366.400	1.876	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(=O)N2CCC2)C1	ZINC001079286963	902381945	/nfs/dbraw/zinc/38/19/45/902381945.db2.gz	IBFHFZBFKQWWNZ-UKPHBRMFSA-N	1	0	358.417	1.102	20	30		FDEDRO
CCn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1c1ccccc1F	ZINC001079287019	902383411	/nfs/dbraw/zinc/38/34/11/902383411.db2.gz	KPDORLGDKQSGNC-QANKJYHBSA-N	1	0	370.432	1.681	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]Cc2cnnn2C)C1	ZINC001079287173	902383624	/nfs/dbraw/zinc/38/36/24/902383624.db2.gz	QZZDGRMVUMUJLB-YLQAJVPDSA-N	1	0	356.405	1.198	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1c1ccccc1F	ZINC001079303891	902385483	/nfs/dbraw/zinc/38/54/83/902385483.db2.gz	GITUZWBDXNHBER-GOEBONIOSA-N	1	0	357.385	1.901	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1c1ccccc1F	ZINC001079291904	902391952	/nfs/dbraw/zinc/39/19/52/902391952.db2.gz	QJRYEJWAIUECDW-UWWQBHOKSA-N	1	0	359.445	1.812	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn3ncccc23)C[C@H]1c1ccccc1F	ZINC001079298696	902406403	/nfs/dbraw/zinc/40/64/03/902406403.db2.gz	BDIIRGRTZFHWDU-FUHWJXTLSA-N	1	0	363.396	1.699	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3nncn3c2)C[C@H]1c1ccccc1F	ZINC001079315820	902410691	/nfs/dbraw/zinc/41/06/91/902410691.db2.gz	HBYBYNLRRQYRMY-FUHWJXTLSA-N	1	0	363.396	1.699	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2C)C[C@H]1c1ccccc1F	ZINC001079319901	902420475	/nfs/dbraw/zinc/42/04/75/902420475.db2.gz	VWMJOQAQOVEHKW-CGTJXYLNSA-N	1	0	359.445	1.907	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cncc(C(N)=O)c2)C[C@H]1c1ccccc1F	ZINC001079322187	902424794	/nfs/dbraw/zinc/42/47/94/902424794.db2.gz	MBVMELSLTGFMTC-FUHWJXTLSA-N	1	0	368.412	1.703	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3nncn3C2)C[C@H]1c1ccccc1F	ZINC001079322354	902425962	/nfs/dbraw/zinc/42/59/62/902425962.db2.gz	QANKJQSPIZWDCJ-UWWQBHOKSA-N	1	0	369.444	1.750	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)c2)C[C@H]1c1ccccc1F	ZINC001079322405	902426158	/nfs/dbraw/zinc/42/61/58/902426158.db2.gz	ROROXHHLOWINDG-PKOBYXMFSA-N	1	0	354.429	1.709	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+][C@H]3CCNC3=O)C2)C1	ZINC001079309521	902443591	/nfs/dbraw/zinc/44/35/91/902443591.db2.gz	BTLPFJFZYQWSHB-RYQLBKOJSA-N	1	0	371.456	1.955	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]CC(N)=O)C2)CC1	ZINC001079309950	902444594	/nfs/dbraw/zinc/44/45/94/902444594.db2.gz	ZUVYMQXTAVVRNM-FUHWJXTLSA-N	1	0	359.445	1.941	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001079447031	902622064	/nfs/dbraw/zinc/62/20/64/902622064.db2.gz	AOSCQUSVDWLKGR-BFYDXBDKSA-N	1	0	351.491	1.367	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CCC[NH+]2CCC3)c[nH]1	ZINC000996119930	903144962	/nfs/dbraw/zinc/14/49/62/903144962.db2.gz	ZOJOXMCODYUAPY-IKGGRYGDSA-N	1	0	367.453	1.376	20	30		FDEDRO
CC1CC[NH+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c[nH]c(C#N)c2)C3)CC1	ZINC000996120972	903148285	/nfs/dbraw/zinc/14/82/85/903148285.db2.gz	PKSPZPAXJWCBBS-SQNIBIBYSA-N	1	0	369.469	1.480	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CC[NH+]2CCCCC2)c[nH]1	ZINC000996125297	903157493	/nfs/dbraw/zinc/15/74/93/903157493.db2.gz	CRWHJCDILQNHCZ-SQNIBIBYSA-N	1	0	369.469	1.624	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cccn2nnnc12	ZINC001079766167	903233397	/nfs/dbraw/zinc/23/33/97/903233397.db2.gz	UZBVZGJYNCBTKE-CXAGYDPISA-N	1	0	361.409	1.246	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2coc(C)c2)C3)CC1	ZINC000996164798	903283206	/nfs/dbraw/zinc/28/32/06/903283206.db2.gz	AHXPWJQASCHTRG-QYZOEREBSA-N	1	0	369.465	1.795	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@H]1CC(=O)N(C)C1	ZINC001079796261	903350659	/nfs/dbraw/zinc/35/06/59/903350659.db2.gz	HOCMFHHYOCNTLG-UWWQBHOKSA-N	1	0	370.453	1.004	20	30		FDEDRO
COc1ccc(C[NH2+][C@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2(C)C)cc1C#N	ZINC000996302990	903643420	/nfs/dbraw/zinc/64/34/20/903643420.db2.gz	CLRMLQUQIMJGLH-VYDXJSESSA-N	1	0	370.453	1.015	20	30		FDEDRO
C=CCC[C@@H](C)[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)nn2)C1	ZINC001107212130	903956106	/nfs/dbraw/zinc/95/61/06/903956106.db2.gz	PGPNEJGEBDIXTF-PILAGYSTSA-N	1	0	359.474	1.673	20	30		FDEDRO
CC(=O)NCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccc(C#N)cc1)CC2	ZINC001107254773	904151711	/nfs/dbraw/zinc/15/17/11/904151711.db2.gz	AILFPOZIAOVVRG-UYAOXDASSA-N	1	0	354.454	1.555	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCOC)CCC[C@@H]12	ZINC001107251420	904176519	/nfs/dbraw/zinc/17/65/19/904176519.db2.gz	AQTMQLIAXHLPRL-YLJYHZDGSA-N	1	0	363.502	1.584	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@@]3(CNC(=O)C(C)(F)F)CCC[C@@H]23)C1=O	ZINC001107259853	904185585	/nfs/dbraw/zinc/18/55/85/904185585.db2.gz	MGUDKZKSUVJOOF-PMUMKWKESA-N	1	0	355.429	1.789	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@@H]3CCCO[C@H]3C=C)CC2)C1=O	ZINC000996599867	904311436	/nfs/dbraw/zinc/31/14/36/904311436.db2.gz	DDKCEQVGAMZDDT-SQNIBIBYSA-N	1	0	361.486	1.335	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@@]3(CNC(=O)CCCOC)CCC[C@@H]23)C1=O	ZINC001107299858	904354218	/nfs/dbraw/zinc/35/42/18/904354218.db2.gz	LLNUIDUSTPLOTB-MBOZVWFJSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)OCC3CC3)CCC[C@@H]12	ZINC001107316350	904436031	/nfs/dbraw/zinc/43/60/31/904436031.db2.gz	IFPSORDFGUTKKH-WRWLIDTKSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCCOCC)CC2	ZINC001107319408	904448647	/nfs/dbraw/zinc/44/86/47/904448647.db2.gz	NQHDVULZKLDTKO-VQIMIIECSA-N	1	0	351.491	1.466	20	30		FDEDRO
C=C(Br)CNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1	ZINC000764360970	904479203	/nfs/dbraw/zinc/47/92/03/904479203.db2.gz	IUMPPUKRPQJKAA-JSGCOSHPSA-N	1	0	359.312	1.562	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)C#N)CCC[C@@H]12	ZINC001107338929	904515286	/nfs/dbraw/zinc/51/52/86/904515286.db2.gz	ZGBWKSRXNSRGPO-SQGPQFPESA-N	1	0	358.486	1.707	20	30		FDEDRO
CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C#N)c[nH]3)CCC[C@@H]12	ZINC001107349530	904551339	/nfs/dbraw/zinc/55/13/39/904551339.db2.gz	FSNHGMUZGMHMCY-JNAXZKDPSA-N	1	0	371.485	1.775	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCNC(=O)C2CC2)CC3)c1	ZINC001107349870	904552514	/nfs/dbraw/zinc/55/25/14/904552514.db2.gz	VXBCCBGWEJNVJS-YLJYHZDGSA-N	1	0	369.469	1.387	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3CC(F)(F)C3)CCC[C@@H]12	ZINC001107356433	904579917	/nfs/dbraw/zinc/57/99/17/904579917.db2.gz	CAUQOLRDRXUUIP-CZUORRHYSA-N	1	0	354.401	1.032	20	30		FDEDRO
C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@@H]1CCCCO1)CC2	ZINC001107374255	904604421	/nfs/dbraw/zinc/60/44/21/904604421.db2.gz	MWOJFOWZLRSUQJ-SQGPQFPESA-N	1	0	361.486	1.056	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3c(C)coc3C)CCC[C@@H]12	ZINC001107387347	904674289	/nfs/dbraw/zinc/67/42/89/904674289.db2.gz	KAZIJRVXGAWHBQ-OXQOHEQNSA-N	1	0	357.454	1.620	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@@]3(CNC(=O)CC(C)(C)O)CCC[C@@H]23)C1=O	ZINC001107388536	904679207	/nfs/dbraw/zinc/67/92/07/904679207.db2.gz	PCVGGJKTIQQPPB-RZQQEMMASA-N	1	0	363.502	1.295	20	30		FDEDRO
CC(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H]1CCc3ncnn31)CC2	ZINC001107396737	904710788	/nfs/dbraw/zinc/71/07/88/904710788.db2.gz	JPAGAYIOZUJGSE-MBOZVWFJSA-N	1	0	355.486	1.786	20	30		FDEDRO
O=C(C#CC1CC1)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC1CCC1)CC2	ZINC001107398023	904719271	/nfs/dbraw/zinc/71/92/71/904719271.db2.gz	ICUMOMZPTLZPDC-WIYYLYMNSA-N	1	0	357.498	1.677	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@]3(CNC(=O)C#CC4CC4)CCC[C@@H]23)C1=O	ZINC001107399996	904731662	/nfs/dbraw/zinc/73/16/62/904731662.db2.gz	UVPRDBOBGYQNSX-WAOWUJCRSA-N	1	0	355.482	1.548	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1CCCN(C(N)=O)C1	ZINC001080075979	904734403	/nfs/dbraw/zinc/73/44/03/904734403.db2.gz	SCQHYXFWHLZORI-FHLIZLRMSA-N	1	0	369.469	1.285	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)c3ccnn3C)CCC[C@@H]12	ZINC001107411994	904809009	/nfs/dbraw/zinc/80/90/09/904809009.db2.gz	LIRGKUJBJBBPII-ILZDJORESA-N	1	0	358.486	1.534	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)c3ccncc3)CCC[C@@H]12	ZINC001107414778	904822950	/nfs/dbraw/zinc/82/29/50/904822950.db2.gz	SJZGSNRTJLLMCT-YLJYHZDGSA-N	1	0	354.454	1.196	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](Cn3cccn3)N(C)C)CCC[C@@H]12	ZINC001107436294	904902171	/nfs/dbraw/zinc/90/21/71/904902171.db2.gz	UPCAGSJEBGYLKV-NLWGTHIKSA-N	1	0	357.502	1.197	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@]3(CC(C)C)CCNC3=O)CCC[C@@H]12	ZINC001107442727	904938548	/nfs/dbraw/zinc/93/85/48/904938548.db2.gz	MLYHYGOTTYFRFP-DUXKGJEZSA-N	1	0	359.514	1.923	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN(C(=O)CC)C2)[C@H](OC)C1	ZINC001081720438	904954965	/nfs/dbraw/zinc/95/49/65/904954965.db2.gz	NRHZPCONHSIAQN-BRWVUGGUSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCN(C)C(=O)C3)CCC[C@@H]12	ZINC001107453564	904995459	/nfs/dbraw/zinc/99/54/59/904995459.db2.gz	QKHKASBASRZFMJ-SQGPQFPESA-N	1	0	363.502	1.418	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2[nH]c(C)c(C(N)=O)c2CC)[C@H](OC)C1	ZINC001081796467	905017516	/nfs/dbraw/zinc/01/75/16/905017516.db2.gz	XCMKRVACUHUTHP-HUUCEWRRSA-N	1	0	362.474	1.380	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[C@@H]1CCC(=O)N1C	ZINC001080251049	905041272	/nfs/dbraw/zinc/04/12/72/905041272.db2.gz	SGLBQQPVRCRFKI-FHLIZLRMSA-N	1	0	354.454	1.506	20	30		FDEDRO
C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1	ZINC000996724913	905058592	/nfs/dbraw/zinc/05/85/92/905058592.db2.gz	WEWWCXSGBWOPKV-NEPJUHHUSA-N	1	0	356.772	1.666	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccn(CC)c3C)C2)C1=O	ZINC001080306015	905111122	/nfs/dbraw/zinc/11/11/22/905111122.db2.gz	AHWGIEWYKHVFCQ-OLMNPRSZSA-N	1	0	358.486	1.653	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@H]1CCN(C)C1=O	ZINC001080288015	905130653	/nfs/dbraw/zinc/13/06/53/905130653.db2.gz	DQNUDWDIWDPSRV-ZTFGCOKTSA-N	1	0	370.453	1.004	20	30		FDEDRO
Cc1cccc(CC(=O)N[C@@H]2CN(Cc3ccc(C#N)c(F)c3)C[C@H]2O)c1	ZINC001077602942	905176868	/nfs/dbraw/zinc/17/68/68/905176868.db2.gz	VJRUSDFOINYATB-WOJBJXKFSA-N	1	0	367.424	1.910	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)Cc3cnoc3)C2)cc1C#N	ZINC001080312398	905187685	/nfs/dbraw/zinc/18/76/85/905187685.db2.gz	NMRMBPJDMQPWLM-CXAGYDPISA-N	1	0	354.410	1.734	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3C)CCC[C@@H]12	ZINC001107495015	905197482	/nfs/dbraw/zinc/19/74/82/905197482.db2.gz	GOFNTRXLWNHLJB-WOCWXWTJSA-N	1	0	360.502	1.765	20	30		FDEDRO
CC(C)(C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2)C1CCC1	ZINC001107491435	905222817	/nfs/dbraw/zinc/22/28/17/905222817.db2.gz	XPJJWPQGVUGDKR-OXQOHEQNSA-N	1	0	360.502	1.813	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CC=CCC3)CCC[C@@H]12	ZINC001107500630	905240204	/nfs/dbraw/zinc/24/02/04/905240204.db2.gz	KQWBOIQTZTZDIE-WAOWUJCRSA-N	1	0	357.498	1.843	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C	ZINC001081856736	905247596	/nfs/dbraw/zinc/24/75/96/905247596.db2.gz	IZGGFUHOJFHURJ-GUDVDZBRSA-N	1	0	356.470	1.358	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc[nH]c3C(C)C)CCC[C@@H]12	ZINC001107513215	905279589	/nfs/dbraw/zinc/27/95/89/905279589.db2.gz	UVUFSRWYPJMXLS-DYESRHJHSA-N	1	0	370.497	1.862	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CC3CC(C)(C)C3)CCC[C@@H]12	ZINC001107517090	905322228	/nfs/dbraw/zinc/32/22/28/905322228.db2.gz	UDJSEYYJKGUXBW-DYESRHJHSA-N	1	0	359.514	1.923	20	30		FDEDRO
COc1ccc(C#N)cc1CN1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1	ZINC001080446721	905450008	/nfs/dbraw/zinc/45/00/08/905450008.db2.gz	PNUYNKZWZPWTIN-FRQCXROJSA-N	1	0	370.497	1.845	20	30		FDEDRO
Cc1ccoc1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107541988	905459610	/nfs/dbraw/zinc/45/96/10/905459610.db2.gz	STLVXZUAOVPRCU-VQIMIIECSA-N	1	0	358.442	1.131	20	30		FDEDRO
C#CCCN1CC[NH+](C2CCC(NC(=O)[C@@H]3CCO[C@H]3C=C)CC2)CC1	ZINC000996788199	905487167	/nfs/dbraw/zinc/48/71/67/905487167.db2.gz	AAUXVVHOUDWLJD-TUNPWDSISA-N	1	0	359.514	1.646	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H](OC)C1	ZINC001081980866	905508169	/nfs/dbraw/zinc/50/81/69/905508169.db2.gz	GYPVENCVCNMCPY-QZTJIDSGSA-N	1	0	365.905	1.972	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCC([NH+]2CCN(CCO)CC2)CC1	ZINC000996789407	905527845	/nfs/dbraw/zinc/52/78/45/905527845.db2.gz	MHPJKKOFRYXNHD-BTRQGYIVSA-N	1	0	365.518	1.005	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)C3(NC(N)=O)CCCCC3)CCC[C@@H]12	ZINC001107567818	905682155	/nfs/dbraw/zinc/68/21/55/905682155.db2.gz	LTFZBJJORQGDSK-VQIMIIECSA-N	1	0	360.502	1.742	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[N@@H+]2CCC(C)(C)C2)C1	ZINC001080564540	905700981	/nfs/dbraw/zinc/70/09/81/905700981.db2.gz	YSDAMIISDYTROZ-SJORKVTESA-N	1	0	363.502	1.369	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3sc(C)nc3C)C[C@H]2C)nn1	ZINC001080578834	905732279	/nfs/dbraw/zinc/73/22/79/905732279.db2.gz	CBRWGIUOHDSVAT-BXUZGUMPSA-N	1	0	360.487	1.788	20	30		FDEDRO
N#Cc1ccccc1C[NH2+]C1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1	ZINC000996826488	905755947	/nfs/dbraw/zinc/75/59/47/905755947.db2.gz	UYAGSTMAYQGSQZ-YSIASYRMSA-N	1	0	369.465	1.690	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1C	ZINC001080589868	905757808	/nfs/dbraw/zinc/75/78/08/905757808.db2.gz	PGKPORLBSVKFJD-LULLPPNCSA-N	1	0	360.502	1.770	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](CCn3nc(C)cc3C)C[C@H]2C)nn1	ZINC001080589984	905760329	/nfs/dbraw/zinc/76/03/29/905760329.db2.gz	WKAIJVKJDWWZSN-RHSMWYFYSA-N	1	0	371.489	1.418	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)CC2)C1=O	ZINC000996831804	905841485	/nfs/dbraw/zinc/84/14/85/905841485.db2.gz	RBXACLLMYHPXSW-SQNIBIBYSA-N	1	0	361.486	1.169	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH]nc3C3CC3)CCC[C@@H]12	ZINC001107593168	905872950	/nfs/dbraw/zinc/87/29/50/905872950.db2.gz	HVLYYMLCULDKSQ-YLJYHZDGSA-N	1	0	356.470	1.911	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C)c(CC)o3)CCC[C@@H]12	ZINC001107607318	905922426	/nfs/dbraw/zinc/92/24/26/905922426.db2.gz	VRUHUNCOJPHNMN-WIYYLYMNSA-N	1	0	371.481	1.874	20	30		FDEDRO
COCc1nc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)co1	ZINC001080688972	905964668	/nfs/dbraw/zinc/96/46/68/905964668.db2.gz	FHQSVKLDDWTAMG-CZUORRHYSA-N	1	0	354.410	1.943	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCOCCOC)CC3)cn1	ZINC001107610196	905969774	/nfs/dbraw/zinc/96/97/74/905969774.db2.gz	RSKZHLBWDKHTHA-TZIWHRDSSA-N	1	0	371.481	1.700	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)c3cccnc3)CCC[C@@H]12	ZINC001107612006	905974461	/nfs/dbraw/zinc/97/44/61/905974461.db2.gz	NQQALPDQISEYNF-YRISNDGFSA-N	1	0	368.481	1.295	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3cnn(C)c3OC)CCC[C@@H]12	ZINC001107618416	906019460	/nfs/dbraw/zinc/01/94/60/906019460.db2.gz	DGSGGRHXOHADSD-VQIMIIECSA-N	1	0	362.474	1.606	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3c(C)nn(C)c3F)CCC[C@@H]12	ZINC001107621158	906062460	/nfs/dbraw/zinc/06/24/60/906062460.db2.gz	KONAZLCJHUXOFM-DNVCBOLYSA-N	1	0	362.449	1.492	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH]c(C(N)=O)c3)CCC[C@@H]12	ZINC001107633117	906153089	/nfs/dbraw/zinc/15/30/89/906153089.db2.gz	KUSXCRVGKDAABP-VQIMIIECSA-N	1	0	360.458	1.291	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC	ZINC001082197140	906164708	/nfs/dbraw/zinc/16/47/08/906164708.db2.gz	SXVHFRCFSVJVGX-KSZLIROESA-N	1	0	365.518	1.807	20	30		FDEDRO
O=C(CC#Cc1ccccc1)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2	ZINC001107640677	906199403	/nfs/dbraw/zinc/19/94/03/906199403.db2.gz	CMLCLIRJQLWSKW-IFMALSPDSA-N	1	0	370.493	1.798	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CCS(=O)(=O)N(C)C)CCC[C@@H]12	ZINC001107640896	906202799	/nfs/dbraw/zinc/20/27/99/906202799.db2.gz	OZFRQYZYNXZJNQ-SJLPKXTDSA-N	1	0	371.547	1.595	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc4nonc4c3)C[C@H]2C)nc1	ZINC001080807936	906296369	/nfs/dbraw/zinc/29/63/69/906296369.db2.gz	AFQSWLFUGWBFBQ-BFUOFWGJSA-N	1	0	361.405	1.849	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)ccc3C)C[C@H]2OC)nn1	ZINC001082213320	906298239	/nfs/dbraw/zinc/29/82/39/906298239.db2.gz	VSAWJNMYGTYPNR-IEBWSBKVSA-N	1	0	369.469	1.710	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCS(=O)(=O)C1)C2	ZINC001112538928	906486616	/nfs/dbraw/zinc/48/66/16/906486616.db2.gz	BOKXVEGRDFVXJE-BQFCYCMXSA-N	1	0	354.516	1.606	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)C(C)(C)[N@@H+](C)CC	ZINC001082303086	906686605	/nfs/dbraw/zinc/68/66/05/906686605.db2.gz	LXITXPGLXHESTH-BBWFWOEESA-N	1	0	365.518	1.805	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC000997004154	906891401	/nfs/dbraw/zinc/89/14/01/906891401.db2.gz	MSGCUUYSFRPDOO-RGTXSCMUSA-N	1	0	355.442	1.088	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)N2CCC[C@H](C)C2)CC1	ZINC000997011099	906923652	/nfs/dbraw/zinc/92/36/52/906923652.db2.gz	IERSTXYLTASHQY-JQHSSLGASA-N	1	0	363.502	1.417	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](OC)C2CCC2)C[C@H]1OC	ZINC001082345325	906935580	/nfs/dbraw/zinc/93/55/80/906935580.db2.gz	FBYMBASCHAYAFR-NJDAHSKKSA-N	1	0	370.493	1.841	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C2CC2)C[C@H]1O	ZINC001077698870	906969588	/nfs/dbraw/zinc/96/95/88/906969588.db2.gz	DKWNIGAUADATEG-WTGUMLROSA-N	1	0	356.466	1.816	20	30		FDEDRO
COC(=O)CCC[NH+]1CCC(N=Nc2ccc(-n3cccn3)nn2)CC1	ZINC000727061355	907120526	/nfs/dbraw/zinc/12/05/26/907120526.db2.gz	HCTOZUASABEVAN-UHFFFAOYSA-N	1	0	357.418	1.479	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC(C)C)C2)C[C@H]1c1ccccc1	ZINC001081124771	907184537	/nfs/dbraw/zinc/18/45/37/907184537.db2.gz	VTJGEHSRARODKC-SLFFLAALSA-N	1	0	367.493	1.708	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCS(=O)(=O)C2)C[C@H]1c1ccccc1	ZINC001081141273	907249277	/nfs/dbraw/zinc/24/92/77/907249277.db2.gz	MKJDMNHTFWXTGB-BPQIPLTHSA-N	1	0	362.495	1.581	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@H]1c1ccccc1	ZINC001081143040	907253371	/nfs/dbraw/zinc/25/33/71/907253371.db2.gz	IYQOMZCDBURXSR-FGTMMUONSA-N	1	0	356.470	1.547	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3[nH]c(=O)[nH]c3n2)C[C@H]1c1ccccc1	ZINC001081168199	907289615	/nfs/dbraw/zinc/28/96/15/907289615.db2.gz	LLYYLBRTSYRDOQ-WMLDXEAASA-N	1	0	361.405	1.495	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC(=O)N(C)C)CC1	ZINC000997098738	907302086	/nfs/dbraw/zinc/30/20/86/907302086.db2.gz	VQAKFHXQMHXKJX-OIISXLGYSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCO)C2)nn1	ZINC001081195740	907373691	/nfs/dbraw/zinc/37/36/91/907373691.db2.gz	RKTUNCHSEZCWPP-DLBZAZTESA-N	1	0	355.442	1.044	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCCN2C(C)=O)C[C@H]1c1ccccc1	ZINC001081229993	907429939	/nfs/dbraw/zinc/42/99/39/907429939.db2.gz	KJYHINXHABQETR-OTWHNJEPSA-N	1	0	357.454	1.004	20	30		FDEDRO
O=C(CO[NH+]=Cc1ccc(N2CCOCC2)cc1)N1CCOC[C@@H]1C1CC1	ZINC000765530704	907484188	/nfs/dbraw/zinc/48/41/88/907484188.db2.gz	QTBOLWIQMBCMDD-LJQANCHMSA-N	1	0	373.453	1.511	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082452833	907743343	/nfs/dbraw/zinc/74/33/43/907743343.db2.gz	HPNZJBPCNKTSGP-IAQYHMDHSA-N	1	0	354.389	1.320	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnns2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082436253	907751094	/nfs/dbraw/zinc/75/10/94/907751094.db2.gz	AHHRHYBFBWEHFJ-IUODEOHRSA-N	1	0	357.439	1.691	20	30		FDEDRO
N#Cc1cccc(CN2C[C@@H](O)[C@H](NC(=O)c3ccnc(C4CC4)n3)C2)c1	ZINC001077770221	907759132	/nfs/dbraw/zinc/75/91/32/907759132.db2.gz	WJBDFLMHNTWBJW-QZTJIDSGSA-N	1	0	363.421	1.201	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH+]2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)CC1	ZINC000528405134	907769993	/nfs/dbraw/zinc/76/99/93/907769993.db2.gz	TUVBOWOELCLAMM-HNNXBMFYSA-N	1	0	367.453	1.508	20	30		FDEDRO
Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)n(C)n1	ZINC001082440261	907775514	/nfs/dbraw/zinc/77/55/14/907775514.db2.gz	RJIWKVMEPPHXJR-RDTXWAMCSA-N	1	0	367.453	1.881	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O	ZINC001077776175	907838443	/nfs/dbraw/zinc/83/84/43/907838443.db2.gz	GKGPDPCZHJGIPL-HSALFYBXSA-N	1	0	370.497	1.482	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1[NH2+]Cc1ccnc(N(C)C)c1	ZINC001082464109	907896265	/nfs/dbraw/zinc/89/62/65/907896265.db2.gz	BYODTHZQVWLISF-CXAGYDPISA-N	1	0	352.442	1.598	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082472408	907922184	/nfs/dbraw/zinc/92/21/84/907922184.db2.gz	JSGIFSQBKCQRLS-HACGYAERSA-N	1	0	358.417	1.160	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@H](C)n2cncn2)C[C@H]1C	ZINC001082481645	907955785	/nfs/dbraw/zinc/95/57/85/907955785.db2.gz	IIRJXGRLXUPINA-JKIFEVAISA-N	1	0	368.441	1.356	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CCc3ccccc3)C[C@H]2O)cc1	ZINC001077795616	907994975	/nfs/dbraw/zinc/99/49/75/907994975.db2.gz	PPOIBSLODUDDDG-NHCUHLMSSA-N	1	0	364.445	1.716	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccns2)C3)CC1	ZINC000997197411	908002144	/nfs/dbraw/zinc/00/21/44/908002144.db2.gz	KZIPZCZTDUAUMR-PMPSAXMXSA-N	1	0	372.494	1.350	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@H](OC)C2CC2)C[C@H]1C	ZINC001082493941	908021471	/nfs/dbraw/zinc/02/14/71/908021471.db2.gz	QSSDEYSIZWYPQC-OMWUSAIZSA-N	1	0	357.454	1.928	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)Cc3ccncc3C)C[C@H]2C)C1=O	ZINC001082513376	908032141	/nfs/dbraw/zinc/03/21/41/908032141.db2.gz	LSJPYVMJJXVZRG-KBAYOESNSA-N	1	0	356.470	1.156	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082503710	908108618	/nfs/dbraw/zinc/10/86/18/908108618.db2.gz	FRBIWDMZAVCWJK-CRAIPNDOSA-N	1	0	357.454	1.831	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1C	ZINC001082506434	908134112	/nfs/dbraw/zinc/13/41/12/908134112.db2.gz	GIDOIJVIOBQDNB-RDTXWAMCSA-N	1	0	367.453	1.480	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CCc3cccs3)C[C@H]2O)cc1	ZINC001077798020	908150121	/nfs/dbraw/zinc/15/01/21/908150121.db2.gz	VDVGKAHKXMAZIU-RTBURBONSA-N	1	0	370.474	1.778	20	30		FDEDRO
C[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC[NH+](Cc2ccc(C#N)s2)CC1	ZINC000997307323	908223815	/nfs/dbraw/zinc/22/38/15/908223815.db2.gz	MFCCEBDVNIEQCX-LYRGGWFBSA-N	1	0	360.483	1.458	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)C(C)(C)C(=C)Cl)C[C@H]2C)C1=O	ZINC001082533737	908301706	/nfs/dbraw/zinc/30/17/06/908301706.db2.gz	XQBWCLREOFCGDR-VHDGCEQUSA-N	1	0	353.894	1.989	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2nccs2)CC1	ZINC000997358364	908316856	/nfs/dbraw/zinc/31/68/56/908316856.db2.gz	ZQCHBFGBJDMIMH-PMPSAXMXSA-N	1	0	372.494	1.350	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@]23C[C@H]2CCC3)CC1	ZINC000997357342	908323916	/nfs/dbraw/zinc/32/39/16/908323916.db2.gz	KGEMHXJGIVCTFI-ZBHHGKBUSA-N	1	0	369.509	1.770	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@]1(C)C[N@H+](CCCCCOC)CCO1	ZINC001107953250	908428882	/nfs/dbraw/zinc/42/88/82/908428882.db2.gz	WEBOJZJDQVOKAI-HBFSDRIKSA-N	1	0	368.518	1.991	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccnc3ccnn32)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082554583	908546153	/nfs/dbraw/zinc/54/61/53/908546153.db2.gz	QYNCGWZVFKNJFY-RHSMWYFYSA-N	1	0	360.421	1.851	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccnc(N(C)C)c2)C1	ZINC001082568076	908707564	/nfs/dbraw/zinc/70/75/64/908707564.db2.gz	WDZITQZBUVVIGZ-QRQLOZEOSA-N	1	0	369.513	1.182	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccn(C(C)C)n2)C1	ZINC001082568878	908714486	/nfs/dbraw/zinc/71/44/86/908714486.db2.gz	WRGXJJVOIZOKCD-QRQLOZEOSA-N	1	0	357.502	1.498	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2CC)C[C@H]1C	ZINC001082579319	908769726	/nfs/dbraw/zinc/76/97/26/908769726.db2.gz	BXEWERMIOJQKJP-QMTHXVAHSA-N	1	0	355.280	1.941	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(C4CC4)CC2)C3)CC1	ZINC000997487911	908921966	/nfs/dbraw/zinc/92/19/66/908921966.db2.gz	NKHCGFIEMUZTQQ-QYZOEREBSA-N	1	0	369.509	1.770	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC(OC)C2)C3)CC1	ZINC000997491248	908932650	/nfs/dbraw/zinc/93/26/50/908932650.db2.gz	UNDNRHKLMDEALZ-RBGSFJITSA-N	1	0	373.497	1.005	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H]3CCCN(C)C3=O)C2)cc1	ZINC001082600329	908963286	/nfs/dbraw/zinc/96/32/86/908963286.db2.gz	OWYWJPQDKWOLFM-ATZDWAIDSA-N	1	0	371.481	1.922	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082610811	909001878	/nfs/dbraw/zinc/00/18/78/909001878.db2.gz	CSQGFOUXTOHFRS-ISTRZQFTSA-N	1	0	358.417	1.160	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2sccc2-n2cnnn2)C[C@H]1C	ZINC001082614788	909050319	/nfs/dbraw/zinc/05/03/19/909050319.db2.gz	JMHWANADODVXGV-MWLCHTKSSA-N	1	0	352.851	1.526	20	30		FDEDRO
CCO[C@H](CNS(=O)(=O)Cc1c(C)cc(C#N)cc1C)C[NH+](C)C	ZINC000921636873	909090562	/nfs/dbraw/zinc/09/05/62/909090562.db2.gz	QSJGUILDCRDIOD-MRXNPFEDSA-N	1	0	353.488	1.561	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc4cnccc4o3)C[C@H]2C)C1=O	ZINC001082620350	909122195	/nfs/dbraw/zinc/12/21/95/909122195.db2.gz	PAPOLWOVGGOPEI-FVQBIDKESA-N	1	0	368.437	1.665	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](C1CC1)[NH+](C)C	ZINC000997550484	909145588	/nfs/dbraw/zinc/14/55/88/909145588.db2.gz	QMYSEXQOYUZLQV-VUHPKUFZSA-N	1	0	370.497	1.876	20	30		FDEDRO
COc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)nn1C	ZINC001082633624	909198527	/nfs/dbraw/zinc/19/85/27/909198527.db2.gz	ADEAURNMYAMCLX-CXAGYDPISA-N	1	0	353.426	1.551	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ncc4ccccn43)C[C@H]2C)C1=O	ZINC001082642721	909214967	/nfs/dbraw/zinc/21/49/67/909214967.db2.gz	SKWKQWDBKREOJW-DJIMGWMZSA-N	1	0	367.453	1.171	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CN2CCCCCCC2=O)[C@H](OC)C1	ZINC001212371010	909294550	/nfs/dbraw/zinc/29/45/50/909294550.db2.gz	XWGKANDJEULGFH-RCCFBDPRSA-N	1	0	365.518	1.949	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)NC(=O)NCC)C2	ZINC001112539740	909426529	/nfs/dbraw/zinc/42/65/29/909426529.db2.gz	PHGJNXVPUGZBGS-KXBFYZLASA-N	1	0	350.507	1.879	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2csnn2)C[C@H]1C	ZINC001082668792	909476899	/nfs/dbraw/zinc/47/68/99/909476899.db2.gz	OXQMWBRGLNEAPF-BXUZGUMPSA-N	1	0	357.439	1.669	20	30		FDEDRO
COc1nn(C)cc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001082681361	909596279	/nfs/dbraw/zinc/59/62/79/909596279.db2.gz	NFCLWSVAVURIAO-CXAGYDPISA-N	1	0	353.426	1.551	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCc2ccnn2C)CC1	ZINC000997754083	909612482	/nfs/dbraw/zinc/61/24/82/909612482.db2.gz	JMCGZNLAVAVTEJ-IPELMVKDSA-N	1	0	360.502	1.770	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000997770325	909659075	/nfs/dbraw/zinc/65/90/75/909659075.db2.gz	VTYOTRGQDUHRSX-IAGOWNOFSA-N	1	0	360.389	1.691	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082700135	909676994	/nfs/dbraw/zinc/67/69/94/909676994.db2.gz	BVLKTCCNNPVQSH-CSMYWGQOSA-N	1	0	358.417	1.255	20	30		FDEDRO
C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)CC1	ZINC000997795037	909721232	/nfs/dbraw/zinc/72/12/32/909721232.db2.gz	ZCQYPVIZWOZDMS-QXAKKESOSA-N	1	0	358.486	1.528	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccn(C)c3CC)C[C@H]2C)C1=O	ZINC001082742198	909943197	/nfs/dbraw/zinc/94/31/97/909943197.db2.gz	VIMPBHSWQUOXFJ-DJIMGWMZSA-N	1	0	358.486	1.425	20	30		FDEDRO
Cc1ccnn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC001082771139	910082521	/nfs/dbraw/zinc/08/25/21/910082521.db2.gz	LQHAJLBMYJROAH-FZKQIMNGSA-N	1	0	355.417	1.839	20	30		FDEDRO
CC(C)c1nnnn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001082792745	910198849	/nfs/dbraw/zinc/19/88/49/910198849.db2.gz	MHUFULOUMMMFIB-RHSMWYFYSA-N	1	0	367.457	1.305	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnc(OC)nc2C)C1	ZINC001082798696	910215584	/nfs/dbraw/zinc/21/55/84/910215584.db2.gz	HOZYGWWSBKVIMM-RNJTYBCJSA-N	1	0	374.485	1.711	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1	ZINC001082798754	910215670	/nfs/dbraw/zinc/21/56/70/910215670.db2.gz	JWXXQRZYTVWXQD-FDPIWHGQSA-N	1	0	371.481	1.703	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1C	ZINC001082807885	910266255	/nfs/dbraw/zinc/26/62/55/910266255.db2.gz	IXRBRGFFZVWNHO-TZMCWYRMSA-N	1	0	360.296	1.054	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082808077	910267295	/nfs/dbraw/zinc/26/72/95/910267295.db2.gz	TWFAZZYDHCDWJX-VQIMIIECSA-N	1	0	356.470	1.217	20	30		FDEDRO
COc1ncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(C#N)ccc3F)C2)cn1	ZINC001082838467	910375095	/nfs/dbraw/zinc/37/50/95/910375095.db2.gz	VTGVOHMJOBBGAA-SJKOYZFVSA-N	1	0	369.400	1.746	20	30		FDEDRO
CC(=O)N1CC[C@@](C)(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1	ZINC001082847030	910427652	/nfs/dbraw/zinc/42/76/52/910427652.db2.gz	RUHUIKFAJDFXNQ-QFIXIFRTSA-N	1	0	368.481	1.753	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)CCCn2ccnn2)[C@H](OC)C1	ZINC001212390784	910460823	/nfs/dbraw/zinc/46/08/23/910460823.db2.gz	APNCWOAOHZSSHO-IAGOWNOFSA-N	1	0	351.495	1.844	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C)ncn2)C1	ZINC001082851155	910461844	/nfs/dbraw/zinc/46/18/44/910461844.db2.gz	RINUBCACGSBGNH-RHSMWYFYSA-N	1	0	367.453	1.995	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCCN(C)C2=O)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082856991	910493209	/nfs/dbraw/zinc/49/32/09/910493209.db2.gz	NZRUCAXJHKMSOS-AYOQOUSVSA-N	1	0	368.481	1.753	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccnn2C)C1	ZINC001082869180	910512821	/nfs/dbraw/zinc/51/28/21/910512821.db2.gz	WAPGZFDYOQVSAQ-CRAIPNDOSA-N	1	0	367.453	1.120	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082869188	910513520	/nfs/dbraw/zinc/51/35/20/910513520.db2.gz	WVALZNQISNUHHN-FZKQIMNGSA-N	1	0	368.412	1.646	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@H]2OC)CCC1	ZINC001212393398	910664952	/nfs/dbraw/zinc/66/49/52/910664952.db2.gz	MOGHGFCZYGCCRP-RTBURBONSA-N	1	0	356.466	1.688	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)COc3ccc(C)cc3)C[C@H]2C)C1=O	ZINC001082902991	910788303	/nfs/dbraw/zinc/78/83/03/910788303.db2.gz	DAJBHZGHVFLKTM-NZSAHSFTSA-N	1	0	371.481	1.597	20	30		FDEDRO
N#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc4c[nH+]cn4c2)C3)[nH]1	ZINC000998361176	910921892	/nfs/dbraw/zinc/92/18/92/910921892.db2.gz	YAHKYTVEXLNWEF-JLSDUUJJSA-N	1	0	374.404	1.710	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]2OC)CCC1	ZINC001212399511	910961330	/nfs/dbraw/zinc/96/13/30/910961330.db2.gz	NLSRZHFFTSWBRF-RCCFBDPRSA-N	1	0	366.502	1.029	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(C#N)c2)C1	ZINC000998623037	911323929	/nfs/dbraw/zinc/32/39/29/911323929.db2.gz	BSVQTTNICJLDCT-VZEFYGNVSA-N	1	0	355.442	1.090	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C3)nc1	ZINC000998626452	911324627	/nfs/dbraw/zinc/32/46/27/911324627.db2.gz	TZBLKZXZVNYTEP-FPAYPSAMSA-N	1	0	366.465	1.266	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2[nH]c(C)c(C(N)=O)c2CC)[C@H](OC)C1	ZINC001212405800	911341533	/nfs/dbraw/zinc/34/15/33/911341533.db2.gz	CWHWFXQUTNFGME-HUUCEWRRSA-N	1	0	362.474	1.380	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3ccc4c(c3)COC4)C2)s1	ZINC001077825816	911413141	/nfs/dbraw/zinc/41/31/41/911413141.db2.gz	WFQWIXKBFAWPAM-QZTJIDSGSA-N	1	0	369.446	1.625	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N(C)C2CC([NH2+]Cc3ccc(C#N)cc3)C2)O1	ZINC000998985504	911936646	/nfs/dbraw/zinc/93/66/46/911936646.db2.gz	YTSNLCWGZSMMLE-YOODTLSXSA-N	1	0	356.470	1.356	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C(F)(F)F)nn3C)[C@H]2C1	ZINC001083093006	911978930	/nfs/dbraw/zinc/97/89/30/911978930.db2.gz	MJIAXUNQVFCOGN-QWHCGFSZSA-N	1	0	358.364	1.540	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@@H]2CC[N@@H+](C)C2)cc1	ZINC000999073569	912028067	/nfs/dbraw/zinc/02/80/67/912028067.db2.gz	SSDPZDZDPGBCFF-RNQOJCNYSA-N	1	0	365.477	1.871	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)OC)CC1	ZINC000729973762	915888704	/nfs/dbraw/zinc/88/87/04/915888704.db2.gz	DYJZUDDTWVSNSX-QGZVFWFLSA-N	1	0	360.429	1.619	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCc3cnn(CC)c3)C[C@H]21	ZINC001084672788	916066443	/nfs/dbraw/zinc/06/64/43/916066443.db2.gz	NPNOXNXMCZSAGL-MKXGPGLRSA-N	1	0	358.486	1.569	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4cccc(OC)c4)C[C@H]32)nn1	ZINC001084709395	916400278	/nfs/dbraw/zinc/40/02/78/916400278.db2.gz	ZGKLYIFJXINRQG-VQIMIIECSA-N	1	0	367.453	1.819	20	30		FDEDRO
N#Cc1ccc(F)c(CN2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)c1	ZINC001084777854	917052448	/nfs/dbraw/zinc/05/24/48/917052448.db2.gz	SVAXBSHSGHTATH-VQIMIIECSA-N	1	0	368.456	1.826	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](CCCc4nc(C)no4)C[C@H]32)cn1	ZINC001084784152	917092730	/nfs/dbraw/zinc/09/27/30/917092730.db2.gz	CEQLGDNQKDDRJU-SJLPKXTDSA-N	1	0	365.437	1.533	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNC(=O)NCCNc2ccc(C#N)cn2)CC1	ZINC000730823750	917321269	/nfs/dbraw/zinc/32/12/69/917321269.db2.gz	XBZMHTAPQNHTON-UHFFFAOYSA-N	1	0	374.489	1.554	20	30		FDEDRO
CC(C)[NH2+]C1CCN(CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1	ZINC000731031867	917644296	/nfs/dbraw/zinc/64/42/96/917644296.db2.gz	LGZGPFNTYDJOPS-INIZCTEOSA-N	1	0	367.453	1.974	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN([C@H](C)c4nnc(C)[nH]4)C[C@H]32)CC1	ZINC001084850985	917656373	/nfs/dbraw/zinc/65/63/73/917656373.db2.gz	HLBRXHGOOVMVKQ-ZTFGCOKTSA-N	1	0	370.501	1.052	20	30		FDEDRO
C#CCOc1cccc(NC(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)c1	ZINC000731058671	917678634	/nfs/dbraw/zinc/67/86/34/917678634.db2.gz	JSNTVODOMOZHAI-FUHWJXTLSA-N	1	0	369.465	1.970	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2CCCC)CC1	ZINC000731223228	917910559	/nfs/dbraw/zinc/91/05/59/917910559.db2.gz	KHNFORDBYMAQPJ-SFHVURJKSA-N	1	0	362.518	1.812	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)OCC(=O)NCC#N	ZINC000731256523	917925610	/nfs/dbraw/zinc/92/56/10/917925610.db2.gz	LIXDWMWBGGLTIZ-OAHLLOKOSA-N	1	0	359.426	1.736	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ccncc4)C[C@@H]32)C1=O	ZINC001084880439	917960936	/nfs/dbraw/zinc/96/09/36/917960936.db2.gz	MKLYTTGUVQEPDS-SZMVWBNQSA-N	1	0	354.454	1.405	20	30		FDEDRO
O=C(c1cc[n+]([O-])cc1)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001084884155	917974283	/nfs/dbraw/zinc/97/42/83/917974283.db2.gz	FSUSUCRBYCFQQC-CTNGQTDRSA-N	1	0	361.445	1.908	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2ccccc2OCC#N)CC1	ZINC000731481001	918155581	/nfs/dbraw/zinc/15/55/81/918155581.db2.gz	MGZCZPATURAFDB-UHFFFAOYSA-N	1	0	358.442	1.261	20	30		FDEDRO
CCCCCNC(=S)NN=C1CC[NH+](CCN2CCOCC2)CC1	ZINC000731559018	918198639	/nfs/dbraw/zinc/19/86/39/918198639.db2.gz	QAUKYUDESCZNCK-UHFFFAOYSA-N	1	0	355.552	1.425	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N4CCCCC4)[C@H]3C2)c1	ZINC001084915246	918284609	/nfs/dbraw/zinc/28/46/09/918284609.db2.gz	NSTPANLAQLUHAD-AEFFLSMTSA-N	1	0	369.469	1.435	20	30		FDEDRO
CN1CCOC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@H]2C1	ZINC001084925011	918352308	/nfs/dbraw/zinc/35/23/08/918352308.db2.gz	GKZYNALJQWRLPU-AABGKKOBSA-N	1	0	368.481	1.312	20	30		FDEDRO
Cc1cc(C)n(CC[N@@H+]2CC[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]32)n1	ZINC001084925492	918358674	/nfs/dbraw/zinc/35/86/74/918358674.db2.gz	AXJAQRJQAIYCTA-APWZRJJASA-N	1	0	366.469	1.936	20	30		FDEDRO
CC(=O)N1CC(C(=O)N2CC[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)[C@H]3C2)C1	ZINC001084929230	918387820	/nfs/dbraw/zinc/38/78/20/918387820.db2.gz	URUPLJDFJORHPE-QUCCMNQESA-N	1	0	366.465	1.459	20	30		FDEDRO
O=C([C@@H]1COC(=O)N1)N1CC[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)[C@H]2C1	ZINC001084931548	918473118	/nfs/dbraw/zinc/47/31/18/918473118.db2.gz	ANAKMRZZKBJRNS-NJAFHUGGSA-N	1	0	371.412	1.208	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4n[nH]cc4C)C[C@@H]32)C1=O	ZINC001084937399	918520636	/nfs/dbraw/zinc/52/06/36/918520636.db2.gz	REKDRTIIHKJOEU-XHSDSOJGSA-N	1	0	357.458	1.041	20	30		FDEDRO
Cn1cnc(C(=O)N2CC[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)[C@H]3C2)n1	ZINC001084934867	918534686	/nfs/dbraw/zinc/53/46/86/918534686.db2.gz	ILEPINDRWDQQLZ-SJORKVTESA-N	1	0	350.426	1.423	20	30		FDEDRO
Cn1ccc(CC(=O)N2CC[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)[C@H]3C2)n1	ZINC001084938594	918589945	/nfs/dbraw/zinc/58/99/45/918589945.db2.gz	UKGIQPYTXWNRTI-QUCCMNQESA-N	1	0	363.465	1.957	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc([C@@H]4CCCN4C)[nH]n3)C[C@@H]21	ZINC001084946587	918662512	/nfs/dbraw/zinc/66/25/12/918662512.db2.gz	YXKHCCWDKDNXMR-MNEFBYGVSA-N	1	0	355.486	1.736	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cnn4c3cccc4OC)C[C@@H]21	ZINC001084952358	918723339	/nfs/dbraw/zinc/72/33/39/918723339.db2.gz	NJOAOQUPEVAXOC-QAPCUYQASA-N	1	0	352.438	1.903	20	30		FDEDRO
COc1cc(OC)c(C=NNC(=S)NCCC[NH+](C)C)c(OC)c1	ZINC000731928382	918845012	/nfs/dbraw/zinc/84/50/12/918845012.db2.gz	JHFNVBIXJODNHR-UHFFFAOYSA-N	1	0	354.476	1.462	20	30		FDEDRO
CC(C)(C(N)=O)C(=O)N1CC[C@H]2CC[N@H+](Cc3ccc(C#N)s3)[C@H]2C1	ZINC001084964082	918901320	/nfs/dbraw/zinc/90/13/20/918901320.db2.gz	YJPVRVSAQFQDBM-DOMZBBRYSA-N	1	0	360.483	1.554	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3ccccn3)[C@H]2C1	ZINC001084961126	918906694	/nfs/dbraw/zinc/90/66/94/918906694.db2.gz	MOBHGFOFNNRNDF-HOJAQTOUSA-N	1	0	352.482	1.602	20	30		FDEDRO
O=C([C@H]1CCCNC1=O)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001084964496	918923561	/nfs/dbraw/zinc/92/35/61/918923561.db2.gz	BIYWIQNVHBBLHB-AABGKKOBSA-N	1	0	365.477	1.487	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ccsn4)C[C@@H]32)C1=O	ZINC001084967660	918938422	/nfs/dbraw/zinc/93/84/22/918938422.db2.gz	NZJZHFHPAKYMCM-BPUTZDHNSA-N	1	0	360.483	1.466	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N(C)C)[C@H]3C2)cc1	ZINC001084974422	919033752	/nfs/dbraw/zinc/03/37/52/919033752.db2.gz	YDXRUUVQDLPBEW-APWZRJJASA-N	1	0	371.481	1.876	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)o3)C[C@@H]21	ZINC001084980730	919147277	/nfs/dbraw/zinc/14/72/77/919147277.db2.gz	VMPUWMMNWJYQCO-OLZOCXBDSA-N	1	0	353.444	1.040	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnc4sccn4c3=O)C[C@@H]21	ZINC001084983577	919197289	/nfs/dbraw/zinc/19/72/89/919197289.db2.gz	AHHTYXUJEDFXNK-HIFRSBDPSA-N	1	0	358.467	1.869	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3COCCN3CC3CCC3)C[C@@H]21	ZINC001084998387	919387100	/nfs/dbraw/zinc/38/71/00/919387100.db2.gz	JMNZPVHHKQBSJX-HSALFYBXSA-N	1	0	359.514	1.433	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CCN3C(=O)CNC3=O)[C@H]2C1	ZINC001085005221	919506469	/nfs/dbraw/zinc/50/64/69/919506469.db2.gz	LZUSNSGMNHQXJV-CABCVRRESA-N	1	0	362.474	1.063	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CCNC4=O)C[C@@H]32)cc1F	ZINC001085005537	919507658	/nfs/dbraw/zinc/50/76/58/919507658.db2.gz	ZMZYVHBVCOADLS-KYJSFNMBSA-N	1	0	370.428	1.256	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CC[C@@H]3CCS(=O)(=O)C3)[C@H]2C1	ZINC001085006274	919571364	/nfs/dbraw/zinc/57/13/64/919571364.db2.gz	KDYLHEBNDGHTBZ-ZACQAIPSSA-N	1	0	368.543	1.946	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cc(C)co4)C[C@@H]32)C1=O	ZINC001085012534	919597037	/nfs/dbraw/zinc/59/70/37/919597037.db2.gz	XIOVWZBFLQNUDP-ULQDDVLXSA-N	1	0	357.454	1.911	20	30		FDEDRO
C[NH+](C)Cc1cccc(CNC(=O)NCCNC(=O)C2N=CC=CC2=O)c1	ZINC000732445922	919619032	/nfs/dbraw/zinc/61/90/32/919619032.db2.gz	VEQDIFXDKQNODX-ZCXUNETKSA-N	1	0	371.441	1.074	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cc(C)ncn4)[C@H]3C2)c1	ZINC001085027793	919813694	/nfs/dbraw/zinc/81/36/94/919813694.db2.gz	OJSVKXNDGAKYEH-XLIONFOSSA-N	1	0	361.449	1.898	20	30		FDEDRO
Cc1nonc1CC(=O)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001085066588	920388752	/nfs/dbraw/zinc/38/87/52/920388752.db2.gz	ZKWNCVMDORXYSI-QUCCMNQESA-N	1	0	364.449	1.895	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C(=O)N(C)C)c3)C[C@@H]21	ZINC001085077223	920572799	/nfs/dbraw/zinc/57/27/99/920572799.db2.gz	NUMMXOYCZSMDII-APWZRJJASA-N	1	0	353.466	1.948	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3n[nH]c(=O)c4ccccc43)C[C@@H]21	ZINC001085080597	920614969	/nfs/dbraw/zinc/61/49/69/920614969.db2.gz	MAWPLDJELGAMET-PBHICJAKSA-N	1	0	350.422	1.895	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4c(cn3)nc[nH]c4=O)C[C@@H]21	ZINC001085084060	920670122	/nfs/dbraw/zinc/67/01/22/920670122.db2.gz	HLRVTOXJHWCZMQ-DYVFJYSZSA-N	1	0	353.426	1.843	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ccc(=O)[nH]c4)C[C@@H]32)C1=O	ZINC001085086860	920718945	/nfs/dbraw/zinc/71/89/45/920718945.db2.gz	FXXYMSFQESBZTF-UAGQMJEPSA-N	1	0	370.453	1.111	20	30		FDEDRO
O=C(Cn1cncn1)N1CC[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)[C@H]2C1	ZINC001085088155	920756038	/nfs/dbraw/zinc/75/60/38/920756038.db2.gz	CBZWPTRONSUQFU-MJGOQNOKSA-N	1	0	367.428	1.392	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cncc(F)c2)C1=O	ZINC001085167064	921926882	/nfs/dbraw/zinc/92/68/82/921926882.db2.gz	FNHZUNMEHYIWTD-BRWVUGGUSA-N	1	0	360.433	1.638	20	30		FDEDRO
C[C@@H]1CCCCN1C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC001085174061	921969995	/nfs/dbraw/zinc/96/99/95/921969995.db2.gz	UTJQMQHOLJZWDH-DJIMGWMZSA-N	1	0	371.485	1.918	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CCOCC1	ZINC001085173203	921989105	/nfs/dbraw/zinc/98/91/05/921989105.db2.gz	KLOQIOJAYKJMOM-RTBURBONSA-N	1	0	356.470	1.407	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000823675046	921997852	/nfs/dbraw/zinc/99/78/52/921997852.db2.gz	XEAQAUVIOSYWOZ-UHFFFAOYSA-N	1	0	363.483	1.156	20	30		FDEDRO
C[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N)n1cncn1	ZINC001085175637	922000924	/nfs/dbraw/zinc/00/09/24/922000924.db2.gz	WJGQBYNLPVXZSZ-ZTFGCOKTSA-N	1	0	352.442	1.928	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCNC(=O)CC2)c[nH]1	ZINC001085176851	922008016	/nfs/dbraw/zinc/00/80/16/922008016.db2.gz	ZEXLDMCRTLLGJN-KBRIMQKVSA-N	1	0	357.458	1.433	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C[NH+](CC)CC)CC1	ZINC001066217140	922608854	/nfs/dbraw/zinc/60/88/54/922608854.db2.gz	JBXRXXVTOTWIOE-KSZLIROESA-N	1	0	365.518	1.807	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CCN3c2ccc(C#N)nc2)CC[N@@H+]1C	ZINC001066203552	922625241	/nfs/dbraw/zinc/62/52/41/922625241.db2.gz	SXGPHHAADFJOJI-DQEVTTJGSA-N	1	0	353.470	1.863	20	30		FDEDRO
C[C@@](C#N)(NC(=O)C[NH2+][C@]1(CO)CCCN(Cc2ccccc2)C1)C1CC1	ZINC000733998625	922819362	/nfs/dbraw/zinc/81/93/62/922819362.db2.gz	AJNAZKFIRAQUBM-LEWJYISDSA-N	1	0	370.497	1.412	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[C@H]2CCNC2=O)c1	ZINC001085223255	922934260	/nfs/dbraw/zinc/93/42/60/922934260.db2.gz	CYONQWIAWIIEJW-KZNAEPCWSA-N	1	0	354.454	1.601	20	30		FDEDRO
CON=C(C(=O)N1CCCC[C@@H]1[C@H](C)C[NH+](C)C)c1csc(N)n1	ZINC000824495493	923042131	/nfs/dbraw/zinc/04/21/31/923042131.db2.gz	HRUVNOFBIPZVRJ-DGCLKSJQSA-N	1	0	353.492	1.655	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1	ZINC000734242656	923119679	/nfs/dbraw/zinc/11/96/79/923119679.db2.gz	RTVIHZCQARGLSH-SFHVURJKSA-N	1	0	370.453	1.048	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)CCC1N=Nc1nc2[nH][nH]cc-2c(=O)n1	ZINC000734365420	923264048	/nfs/dbraw/zinc/26/40/48/923264048.db2.gz	ZQWRHEOZIICUSW-LBPRGKRZSA-N	1	0	351.414	1.742	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)CCC1N=Nc1nc2[nH][nH]cc-2c(=O)n1	ZINC000734365419	923264648	/nfs/dbraw/zinc/26/46/48/923264648.db2.gz	ZQWRHEOZIICUSW-GFCCVEGCSA-N	1	0	351.414	1.742	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1coc(C(N)=O)c1	ZINC001085283402	923505265	/nfs/dbraw/zinc/50/52/65/923505265.db2.gz	NBSOOPPDOMJGFV-VXGBXAGGSA-N	1	0	370.247	1.918	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCN(C)C1=O	ZINC001085302480	923678949	/nfs/dbraw/zinc/67/89/49/923678949.db2.gz	QWQRLWPSTPWEJR-JHJVBQTASA-N	1	0	358.280	1.390	20	30		FDEDRO
C[C@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)CCC(=O)NC1	ZINC001085304963	923702647	/nfs/dbraw/zinc/70/26/47/923702647.db2.gz	ARIZXJIATZTPIR-OPYAIIAOSA-N	1	0	368.481	1.992	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2occc2C)C1=O	ZINC001085325588	923915343	/nfs/dbraw/zinc/91/53/43/923915343.db2.gz	VRESJGKDHFYVNH-BRWVUGGUSA-N	1	0	359.470	1.934	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cncc(C)c2)nn1	ZINC001085356532	924178519	/nfs/dbraw/zinc/17/85/19/924178519.db2.gz	CJIJAMJYTOWKSC-IAGOWNOFSA-N	1	0	354.458	1.998	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccn(CC)n2)nn1	ZINC001085357132	924185847	/nfs/dbraw/zinc/18/58/47/924185847.db2.gz	GCTXWXRZDZWSLB-HZPDHXFCSA-N	1	0	357.462	1.511	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnc(C)nc2C)C1=O	ZINC001085366881	924260482	/nfs/dbraw/zinc/26/04/82/924260482.db2.gz	HPZVNQMQANJBOS-KZNAEPCWSA-N	1	0	371.485	1.511	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2nc(C)oc2C)C1=O	ZINC001085373507	924321466	/nfs/dbraw/zinc/32/14/66/924321466.db2.gz	SMBNANIYTUTPHA-BZUAXINKSA-N	1	0	360.458	1.709	20	30		FDEDRO
C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)C1	ZINC001085387789	924382387	/nfs/dbraw/zinc/38/23/87/924382387.db2.gz	HJQYMCMDJTZZGB-KFKAGJAMSA-N	1	0	368.481	1.944	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cn(CC)nn2)cn1	ZINC001085397620	924443607	/nfs/dbraw/zinc/44/36/07/924443607.db2.gz	QRZRWKYUKHUOGC-QZTJIDSGSA-N	1	0	352.442	1.505	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3CN(c4nccnc4C#N)C[C@H]32)CC[N@@H+]1C	ZINC001066252472	924491067	/nfs/dbraw/zinc/49/10/67/924491067.db2.gz	PNBPAXYSCIHSLJ-CWLKWCNXSA-N	1	0	368.485	1.506	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN2C(=O)CCC2=O)cc1	ZINC001085417393	924570219	/nfs/dbraw/zinc/57/02/19/924570219.db2.gz	WGDINWVUDWJTAY-IAGOWNOFSA-N	1	0	368.437	1.224	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NCc2ncccn2)CC1	ZINC001085432655	924680080	/nfs/dbraw/zinc/68/00/80/924680080.db2.gz	JLIXPJGBOBXIMX-QZTJIDSGSA-N	1	0	355.486	1.339	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)N[C@H](C)c2ccccc2OC)CC1	ZINC000735937303	924684127	/nfs/dbraw/zinc/68/41/27/924684127.db2.gz	GXUYXQKSFHGKKR-OAHLLOKOSA-N	1	0	358.438	1.761	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2cc(C(=O)OC)ccc2C)CC1	ZINC000735939525	924685735	/nfs/dbraw/zinc/68/57/35/924685735.db2.gz	GTGIQUGOEDLKIZ-UHFFFAOYSA-N	1	0	372.421	1.609	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)NC(=O)N[C@H]2CCCC[C@H]2C)CC1	ZINC000735940937	924688741	/nfs/dbraw/zinc/68/87/41/924688741.db2.gz	WHRQDNKBZODUMH-ZBFHGGJFSA-N	1	0	363.458	1.279	20	30		FDEDRO
CC[N@H+](C[C@@H]1CCOC1)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O	ZINC000738084099	925090486	/nfs/dbraw/zinc/09/04/86/925090486.db2.gz	YSKZJXPUJWRFKG-KXBFYZLASA-N	1	0	356.426	1.641	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(C)nc(C)n2)[C@@H](n2ccnn2)C1	ZINC001129322850	925290719	/nfs/dbraw/zinc/29/07/19/925290719.db2.gz	ZGGJJZSFJKSQEQ-QGTPRVQTSA-N	1	0	369.473	1.695	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CCC(=O)N2CCOc3ccccc32)CC1	ZINC000740735473	925419362	/nfs/dbraw/zinc/41/93/62/925419362.db2.gz	HGALHJZUUHHXJT-UHFFFAOYSA-N	1	0	369.465	1.796	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CSCN2C(=O)[C@H](C)CC)CC1	ZINC000740738063	925422246	/nfs/dbraw/zinc/42/22/46/925422246.db2.gz	SNXVHVWBNDOQKC-GDBMZVCRSA-N	1	0	351.516	1.538	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CSCN2C(=O)/C(C)=C/CC)CC1	ZINC000740748363	925435386	/nfs/dbraw/zinc/43/53/86/925435386.db2.gz	FOHDEJXUICUCFS-SXKJYUOZSA-N	1	0	363.527	1.848	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001086083212	925918400	/nfs/dbraw/zinc/91/84/00/925918400.db2.gz	QVUBDSUYPJYQJD-SLBVQIDZSA-N	1	0	358.398	1.216	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCn2nc(C)nc2C)C1	ZINC001086089838	925938042	/nfs/dbraw/zinc/93/80/42/925938042.db2.gz	TZYMMZGAUMRFKN-XDNAFOTISA-N	1	0	361.490	1.361	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1	ZINC001086089276	925944469	/nfs/dbraw/zinc/94/44/69/925944469.db2.gz	RNALOKZDZKTXNP-LULLPPNCSA-N	1	0	371.481	1.751	20	30		FDEDRO
N#Cc1cc(S(N)(=O)=O)ccc1N1CCC[N@H+](Cc2ccccc2)CC1	ZINC000742175035	925948455	/nfs/dbraw/zinc/94/84/55/925948455.db2.gz	PSXABFUGYWEUJT-UHFFFAOYSA-N	1	0	370.478	1.918	20	30		FDEDRO
C[NH+](C)CCc1ccc(NC(=O)CCNC(=O)C2N=CC=CC2=O)cc1	ZINC000742249796	925984945	/nfs/dbraw/zinc/98/49/45/925984945.db2.gz	AQEOVBDJBYQIQH-HNENSFHCSA-N	1	0	356.426	1.646	20	30		FDEDRO
COc1ccc(C[NH2+]Cc2ccc([C@]3(C)NC(=O)NC3=O)cc2)cc1C#N	ZINC000742368702	926032176	/nfs/dbraw/zinc/03/21/76/926032176.db2.gz	MSTQYJUJLHVZJT-FQEVSTJZSA-N	1	0	364.405	1.911	20	30		FDEDRO
C[NH+](C)CCNC(=O)CC1SC(=Nc2ccc(Cl)cc2F)NC1=O	ZINC000766284454	926189691	/nfs/dbraw/zinc/18/96/91/926189691.db2.gz	STFPJMHAYCWUIH-GFCCVEGCSA-N	1	0	372.853	1.766	20	30		FDEDRO
C[NH+]1CCC(NC(=S)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)CC1	ZINC000743011429	926231101	/nfs/dbraw/zinc/23/11/01/926231101.db2.gz	REZBIPLPZDLVKO-UHFFFAOYSA-N	1	0	373.526	1.900	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C1	ZINC001086197511	926261784	/nfs/dbraw/zinc/26/17/84/926261784.db2.gz	LJPZNHIPPYROKC-SHUKQUCYSA-N	1	0	360.483	1.328	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2csnc2OC)C1	ZINC001086202169	926287573	/nfs/dbraw/zinc/28/75/73/926287573.db2.gz	LBQKSHDEKDSFPU-BEAPCOKYSA-N	1	0	351.472	1.727	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NCc2noc(CCC)n2)C1	ZINC001086223185	926352197	/nfs/dbraw/zinc/35/21/97/926352197.db2.gz	DBBLOWXEUFCWPT-KRXQYRFLSA-N	1	0	362.474	1.988	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1	ZINC001086223288	926353459	/nfs/dbraw/zinc/35/34/59/926353459.db2.gz	JGHXBBYFTOKDDS-NQYYFHDYSA-N	1	0	371.481	1.751	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC(C[NH+](C)C)CC1	ZINC000743891138	926495632	/nfs/dbraw/zinc/49/56/32/926495632.db2.gz	CCXBQOVNMDMBSI-UHFFFAOYSA-N	1	0	361.417	1.576	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2COCCN2c2ccncc2C#N)CC[N@@H+]1C	ZINC001066527210	927139069	/nfs/dbraw/zinc/13/90/69/927139069.db2.gz	VFKUDGQECPGJMF-YESZJQIVSA-N	1	0	357.458	1.005	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2COCCN2c2ccc(C#N)cn2)CC[N@@H+]1C	ZINC001066526903	927148804	/nfs/dbraw/zinc/14/88/04/927148804.db2.gz	OTMVHCXWSMXMDI-YESZJQIVSA-N	1	0	357.458	1.005	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1	ZINC000745823310	927441808	/nfs/dbraw/zinc/44/18/08/927441808.db2.gz	VYCZBOSLHRIMDY-GOSISDBHSA-N	1	0	359.470	1.951	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3c3ccco3)C2)C1=O	ZINC001086485553	927545610	/nfs/dbraw/zinc/54/56/10/927545610.db2.gz	CIKZRTQAWQBYNF-HHARLNAUSA-N	1	0	357.454	1.654	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1	ZINC001066549428	927564149	/nfs/dbraw/zinc/56/41/49/927564149.db2.gz	ZXBOIOPQTRMPJD-ZACQAIPSSA-N	1	0	365.518	1.805	20	30		FDEDRO
C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCCCC[NH+](C)C	ZINC000766383521	927980376	/nfs/dbraw/zinc/98/03/76/927980376.db2.gz	TZSZXDOXJDZFTC-AWEZNQCLSA-N	1	0	367.471	1.500	20	30		FDEDRO
C[C@@H]([NH3+])c1ccn(-c2ccccc2COC(=O)ON2C(=O)CCC2=O)n1	ZINC001169234215	928358305	/nfs/dbraw/zinc/35/83/05/928358305.db2.gz	VJTRKDIBQYLYBK-LLVKDONJSA-N	1	0	358.354	1.609	20	30		FDEDRO
C[C@@H]1CN(Cn2cc3c(c(C#N)c2=O)CCC3)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000766631362	928361311	/nfs/dbraw/zinc/36/13/11/928361311.db2.gz	GDZPYTKPOVTSMT-OXQOHEQNSA-N	1	0	369.513	1.124	20	30		FDEDRO
C=CCOC(=O)N1CC2(C1)CC[NH+]([C@@H]1CC[C@H](C(=O)OCC)OC1)CC2	ZINC001169367881	928476958	/nfs/dbraw/zinc/47/69/58/928476958.db2.gz	QEWHERRTWILHBT-HZPDHXFCSA-N	1	0	366.458	1.818	20	30		FDEDRO
CCC[C@@H]1CN(C(=O)NCCNc2ccc(C#N)cn2)CC[N@@H+]1CCOC	ZINC000766762984	928792476	/nfs/dbraw/zinc/79/24/76/928792476.db2.gz	STSKNVPCWSYOEK-QGZVFWFLSA-N	1	0	374.489	1.507	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)CN2CCC(C)CC2)[C@@H](n2ccnn2)C1	ZINC001129342298	928865069	/nfs/dbraw/zinc/86/50/69/928865069.db2.gz	IYPBAWPTRDHWAI-MSOLQXFVSA-N	1	0	360.506	1.318	20	30		FDEDRO
CN(C[C@H](O)C[NH+]1CCC(C#N)(c2ccccn2)CC1)CC(F)(F)F	ZINC001169746024	928881821	/nfs/dbraw/zinc/88/18/21/928881821.db2.gz	WWAYPEQQNUBSOG-AWEZNQCLSA-N	1	0	356.392	1.794	20	30		FDEDRO
C=CCOC(=O)N1CCC(C[NH2+]C2CCC(S(C)(=O)=O)CC2)CC1	ZINC001169872914	928948616	/nfs/dbraw/zinc/94/86/16/928948616.db2.gz	FXXHIWUKNNWKAM-UHFFFAOYSA-N	1	0	358.504	1.966	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCCCC)C2)C1	ZINC001108580386	928954701	/nfs/dbraw/zinc/95/47/01/928954701.db2.gz	LRROYHCULXEFDH-IEZWGBDMSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](NC(=O)CCCc2cccnc2)[C@@H](n2ccnn2)C1	ZINC001129353228	929025950	/nfs/dbraw/zinc/02/59/50/929025950.db2.gz	HGJGBCCTVQTCEC-MSOLQXFVSA-N	1	0	354.458	1.614	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2C2CC2)[C@@H](n2ccnn2)C1	ZINC001129359782	929157392	/nfs/dbraw/zinc/15/73/92/929157392.db2.gz	OODWNPQZOIZFSI-CVEARBPZSA-N	1	0	355.446	1.500	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nc(C)n(-c3nc[nH]n3)n1)C2	ZINC001109579129	929824065	/nfs/dbraw/zinc/82/40/65/929824065.db2.gz	DLKABFLTFFHWID-RZFFKMDDSA-N	1	0	370.461	1.384	20	30		FDEDRO
C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC[NH+]1CCCCC1	ZINC000770403682	930002337	/nfs/dbraw/zinc/00/23/37/930002337.db2.gz	GIYIDDNIJWDWLE-CQSZACIVSA-N	1	0	365.455	1.254	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2	ZINC001109653420	930027679	/nfs/dbraw/zinc/02/76/79/930027679.db2.gz	UULCGJGCWJQCIY-SQNIBIBYSA-N	1	0	364.534	1.474	20	30		FDEDRO
C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2C(=O)CCC2=O)CCC1	ZINC001109680636	930121227	/nfs/dbraw/zinc/12/12/27/930121227.db2.gz	RQIFGYGXMGZZDM-PMPSAXMXSA-N	1	0	359.470	1.603	20	30		FDEDRO
COC(=O)C[C@@]1([NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)CCCOC1	ZINC000770699849	930212180	/nfs/dbraw/zinc/21/21/80/930212180.db2.gz	ITGDEKPHCMUJOJ-KRWDZBQOSA-N	1	0	365.817	1.852	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000770790342	930261880	/nfs/dbraw/zinc/26/18/80/930261880.db2.gz	DAUNOPTWBAKBPN-HOTGVXAUSA-N	1	0	368.474	1.899	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CC1CN(C(=O)OC(C)(C)C)C1	ZINC000746165988	930359594	/nfs/dbraw/zinc/35/95/94/930359594.db2.gz	XWFBJLRUXABMRQ-UHFFFAOYSA-N	1	0	352.479	1.937	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCOC)cc1	ZINC001109811807	930509015	/nfs/dbraw/zinc/50/90/15/930509015.db2.gz	VVNDUPYYNZOTMM-HOJAQTOUSA-N	1	0	372.465	1.697	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1NC(=O)c3ccccc31)C2	ZINC001109868525	930647624	/nfs/dbraw/zinc/64/76/24/930647624.db2.gz	UUUXNDIFOHWYBE-FCLVOEFKSA-N	1	0	369.465	1.785	20	30		FDEDRO
C#CCOc1ccc(-c2nc(CC(=O)N3CCC([NH+](C)C)CC3)no2)cc1	ZINC000771472371	930684664	/nfs/dbraw/zinc/68/46/64/930684664.db2.gz	KDVKKDHVXRIWAG-UHFFFAOYSA-N	1	0	368.437	1.844	20	30		FDEDRO
Cc1cc(C)n(-c2nncn2N=Cc2ccc(N3CC[NH+](C)CC3)cc2)n1	ZINC000771549677	930734483	/nfs/dbraw/zinc/73/44/83/930734483.db2.gz	IGVBTSAHRFPVIR-UHFFFAOYSA-N	1	0	364.457	1.715	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(=O)NCCCOC)C2	ZINC001109959281	930880332	/nfs/dbraw/zinc/88/03/32/930880332.db2.gz	CVVRZMIXYLAJGD-BDXSIMOUSA-N	1	0	365.518	1.996	20	30		FDEDRO
C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C#N)cc1F	ZINC001109977408	930936192	/nfs/dbraw/zinc/93/61/92/930936192.db2.gz	IEUWGBFLUOJSSC-NEWSRXKRSA-N	1	0	374.460	1.497	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@@H]2CCN(c3ccccc3OC)C2=O)CC1	ZINC000772113453	931080876	/nfs/dbraw/zinc/08/08/76/931080876.db2.gz	FNFLTRYARMJYAQ-GOSISDBHSA-N	1	0	356.422	1.689	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2ccc(OC)cc2OC)CC1	ZINC000772112861	931081257	/nfs/dbraw/zinc/08/12/57/931081257.db2.gz	BILYSNRVDQEFQJ-UHFFFAOYSA-N	1	0	360.410	1.531	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)NCCOc2c(C)cccc2C)CC1	ZINC000772113348	931081402	/nfs/dbraw/zinc/08/14/02/931081402.db2.gz	MQEAKRHODJUGFU-UHFFFAOYSA-N	1	0	372.465	1.687	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)NCCCOC2CCCCC2)CC1	ZINC000772115419	931082634	/nfs/dbraw/zinc/08/26/34/931082634.db2.gz	GGTADPKMXFENMK-UHFFFAOYSA-N	1	0	364.486	1.730	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cc(N3C[C@@H](C)O[C@@H](C)C3)ccn2)CC1	ZINC000772297681	931182442	/nfs/dbraw/zinc/18/24/42/931182442.db2.gz	DCXNPJYTUIBCHX-CALCHBBNSA-N	1	0	370.497	1.913	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccn3ccnc13)C2	ZINC001112545367	931428673	/nfs/dbraw/zinc/42/86/73/931428673.db2.gz	GCHWACCGJVRYEJ-UWJYYQICSA-N	1	0	366.465	1.816	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1nccs1)C2	ZINC001112550676	931460335	/nfs/dbraw/zinc/46/03/35/931460335.db2.gz	IOGCVIZIEQCHCC-GLJUWKHASA-N	1	0	362.499	1.666	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H](C)COC)C2	ZINC001112555112	931525203	/nfs/dbraw/zinc/52/52/03/931525203.db2.gz	ZPYWXSUQZQOVGV-GJYPPUQNSA-N	1	0	351.491	1.180	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)S(=O)(=O)CC)C2	ZINC001112555765	931559881	/nfs/dbraw/zinc/55/98/81/931559881.db2.gz	JPRXVLGEKJILHK-WMZOPIPTSA-N	1	0	371.547	1.452	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CCCS(=O)(=O)C1)C2	ZINC001112558442	931578513	/nfs/dbraw/zinc/57/85/13/931578513.db2.gz	HRADWIYRFGEIIS-AOIWGVFYSA-N	1	0	366.527	1.443	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn(C3CCOCC3)nn1)C2	ZINC001112558548	931578848	/nfs/dbraw/zinc/57/88/48/931578848.db2.gz	MQGNQYSIUYRHQW-KXBFYZLASA-N	1	0	357.458	1.095	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCc3nc[nH]c3C1)C2	ZINC001112558639	931579185	/nfs/dbraw/zinc/57/91/85/931579185.db2.gz	QIPPOVDJIGDIMY-FIKGOQFSSA-N	1	0	370.497	1.383	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC(=O)NCCCOC)C2	ZINC001112561419	931587682	/nfs/dbraw/zinc/58/76/82/931587682.db2.gz	XBMBNNRMTAFVHM-PXNSSMCTSA-N	1	0	363.502	1.161	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccnc3nc(C)nn31)C2	ZINC001112562612	931595678	/nfs/dbraw/zinc/59/56/78/931595678.db2.gz	GMWGTWLOZJEXRG-KXBFYZLASA-N	1	0	352.442	1.288	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)C2	ZINC001112564033	931606815	/nfs/dbraw/zinc/60/68/15/931606815.db2.gz	AGVBMNOLMORFEG-KHYOSLBOSA-N	1	0	350.507	1.864	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(C(=O)NC)nc1)C2	ZINC001112564636	931608615	/nfs/dbraw/zinc/60/86/15/931608615.db2.gz	HBKUAJVNVZWYOE-JXFKEZNVSA-N	1	0	354.454	1.296	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccn(C)c1=O)C2	ZINC001112565287	931611447	/nfs/dbraw/zinc/61/14/47/931611447.db2.gz	SYCYXOWZZNSPGI-JXFKEZNVSA-N	1	0	359.470	1.420	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(C)cc1)C2	ZINC001112568797	931633259	/nfs/dbraw/zinc/63/32/59/931633259.db2.gz	NAUZUDBLOWMEFL-RXVVDRJESA-N	1	0	353.466	1.576	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(C(N)=O)cc1)C2	ZINC001112577450	931693472	/nfs/dbraw/zinc/69/34/72/931693472.db2.gz	KYWCUAUEVZUXNJ-RXVVDRJESA-N	1	0	369.465	1.267	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@@H]1NC(=O)NC1=O)C2	ZINC001112575469	931704078	/nfs/dbraw/zinc/70/40/78/931704078.db2.gz	LHZJVJUYINQOSQ-DOXZYTNZSA-N	1	0	362.474	1.159	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1ccccc1C)C2	ZINC001112575786	931706668	/nfs/dbraw/zinc/70/66/68/931706668.db2.gz	CXGKFVGZJOAAFO-UGKGYDQZSA-N	1	0	367.493	1.505	20	30		FDEDRO
C=CCN(CC=C)C(=O)COC(=O)CC1([NH+]2CCOCC2)CCCC1	ZINC000786105232	931752165	/nfs/dbraw/zinc/75/21/65/931752165.db2.gz	OSNACPASGKBTMT-UHFFFAOYSA-N	1	0	350.459	1.765	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3nnc(C)n3C1)C2	ZINC001112583763	931757712	/nfs/dbraw/zinc/75/77/12/931757712.db2.gz	ILPVKNFNECZESO-UWVAXJGDSA-N	1	0	355.486	1.391	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ncc3n1CCCC3)C2	ZINC001112580911	931762819	/nfs/dbraw/zinc/76/28/19/931762819.db2.gz	MLDITZBHNOWMLM-UWJYYQICSA-N	1	0	370.497	1.701	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CS(=O)(=O)NC)C2	ZINC001112581091	931763305	/nfs/dbraw/zinc/76/33/05/931763305.db2.gz	VPEPTPKEEGDWNI-VYDXJSESSA-N	1	0	357.520	1.109	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)NC(=O)NCCC)C2	ZINC001112585241	931790310	/nfs/dbraw/zinc/79/03/10/931790310.db2.gz	KCZQIXWRALGPAG-JXFKEZNVSA-N	1	0	362.518	1.716	20	30		FDEDRO
NC(=O)CCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#Cc2ccccc2)C1	ZINC001112591834	931823693	/nfs/dbraw/zinc/82/36/93/931823693.db2.gz	HUDOKEAXLPWZDD-UGKGYDQZSA-N	1	0	367.493	1.912	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](CC)CC)[C@@H]1CCCO1	ZINC000786650904	931984614	/nfs/dbraw/zinc/98/46/14/931984614.db2.gz	QHOPYVSHSIZTBP-ULQDDVLXSA-N	1	0	351.491	1.156	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C)[C@H]1CCCO1	ZINC000787160512	932204489	/nfs/dbraw/zinc/20/44/89/932204489.db2.gz	XNICUDLBARIJOF-RBUKOAKNSA-N	1	0	371.481	1.440	20	30		FDEDRO
Cc1ccc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)c(C#N)n1	ZINC001170072563	932279746	/nfs/dbraw/zinc/27/97/46/932279746.db2.gz	BLEOASJVZLFYFN-UHFFFAOYSA-N	1	0	367.434	1.964	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1C#N	ZINC000787753569	932388937	/nfs/dbraw/zinc/38/89/37/932388937.db2.gz	YZQMHXUOAVYSJV-CQSZACIVSA-N	1	0	358.442	1.174	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1ccc(C[NH+](CC)CC)cc1)[C@H]1CCCO1	ZINC000787895522	932478527	/nfs/dbraw/zinc/47/85/27/932478527.db2.gz	KNTWGLOXYLBJAO-ZWKOTPCHSA-N	1	0	357.454	1.764	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1	ZINC000788465030	932705192	/nfs/dbraw/zinc/70/51/92/932705192.db2.gz	YUTXOYBESBXCIV-UHFFFAOYSA-N	1	0	354.248	1.389	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)n1	ZINC000788868554	932843613	/nfs/dbraw/zinc/84/36/13/932843613.db2.gz	HRXMLEZCQDIPQR-MRXNPFEDSA-N	1	0	359.474	1.159	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NC[C@H](C)C[NH+]2CCCC2)n1	ZINC000788882382	932849489	/nfs/dbraw/zinc/84/94/89/932849489.db2.gz	DASVYDFNVMZDHZ-KRWDZBQOSA-N	1	0	361.490	1.406	20	30		FDEDRO
COc1ccc(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1C#N	ZINC000746774734	932891387	/nfs/dbraw/zinc/89/13/87/932891387.db2.gz	AYKGYFXQASGTLG-ZWKOTPCHSA-N	1	0	372.469	1.744	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)CN(C[N@@H+]3CCC[C@H]3[C@H]3CCCO3)C2=O)cc1	ZINC000789516198	933067795	/nfs/dbraw/zinc/06/77/95/933067795.db2.gz	UJOQFSJRYATHPB-ZWKOTPCHSA-N	1	0	368.437	1.923	20	30		FDEDRO
N#Cc1ccccc1COc1cccc(C[NH2+]C[C@H]2CC(C(N)=O)=NO2)c1	ZINC000789562503	933106556	/nfs/dbraw/zinc/10/65/56/933106556.db2.gz	XVAFAYQFNRKPNM-GOSISDBHSA-N	1	0	364.405	1.857	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CC2(NC(=O)OC(C)(C)C)CCC2)CC1	ZINC000746849180	933165112	/nfs/dbraw/zinc/16/51/12/933165112.db2.gz	OMOSDBQOOUEHAI-UHFFFAOYSA-N	1	0	350.463	1.928	20	30		FDEDRO
CC(C)(C#N)CS(=O)(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1	ZINC000790015018	933318377	/nfs/dbraw/zinc/31/83/77/933318377.db2.gz	SNCYSJHGFFRZOU-UHFFFAOYSA-N	1	0	365.503	1.063	20	30		FDEDRO
C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1	ZINC001113341162	933586441	/nfs/dbraw/zinc/58/64/41/933586441.db2.gz	MUCMZEXELJGLGY-KSZLIROESA-N	1	0	363.502	1.655	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(OC)ncn2)C1	ZINC001086588440	933609138	/nfs/dbraw/zinc/60/91/38/933609138.db2.gz	VRTYPWQASREAHJ-FUHWJXTLSA-N	1	0	350.422	1.706	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCN(C(C)=O)C2)C1	ZINC001086598119	933983162	/nfs/dbraw/zinc/98/31/62/933983162.db2.gz	PVAPPYQALKDYLL-QHAWAJNXSA-N	1	0	367.493	1.852	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(OC)n(C)n2)C1	ZINC001086598390	933992680	/nfs/dbraw/zinc/99/26/80/933992680.db2.gz	FVMRUGLJXYODGM-FUHWJXTLSA-N	1	0	352.438	1.650	20	30		FDEDRO
C[C@H]1CCC[C@](CNC(=O)C(=O)NCc2cc(C#N)ccc2F)([NH+](C)C)C1	ZINC000793814417	934290410	/nfs/dbraw/zinc/29/04/10/934290410.db2.gz	RYYAPTOEEOOHIC-XOBRGWDASA-N	1	0	374.460	1.940	20	30		FDEDRO
CCOC(=O)CN(CC[NH3+])c1cccc([C@@H](C#N)C(=O)OC(C)(C)C)n1	ZINC001170992214	945072843	/nfs/dbraw/zinc/07/28/43/945072843.db2.gz	CFATZMNOHXRZRR-CYBMUJFWSA-N	1	0	362.430	1.359	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1	ZINC000793910892	938336607	/nfs/dbraw/zinc/33/66/07/938336607.db2.gz	KPUNIJMELCLRCB-GMXVVIOVSA-N	1	0	360.296	1.494	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCCO1	ZINC000793911394	938336808	/nfs/dbraw/zinc/33/68/08/938336808.db2.gz	BHKDSPDXQWZAMD-VVLHAWIVSA-N	1	0	363.502	1.156	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1	ZINC001086621891	938385375	/nfs/dbraw/zinc/38/53/75/938385375.db2.gz	URQWICPIVRVTDT-ZWKOTPCHSA-N	1	0	369.469	1.051	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1	ZINC001086621863	938393004	/nfs/dbraw/zinc/39/30/04/938393004.db2.gz	SLHZOZLGUHIJRZ-ZWKOTPCHSA-N	1	0	369.469	1.051	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC(=O)N2C)C1	ZINC001086622352	938398873	/nfs/dbraw/zinc/39/88/73/938398873.db2.gz	SITIIORJOOYJHP-OTWHNJEPSA-N	1	0	353.466	1.605	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2[nH]cnc2CC)[C@@H](n2ccnn2)C1	ZINC001129407479	938404773	/nfs/dbraw/zinc/40/47/73/938404773.db2.gz	OQKQPPPIOSDUTP-BMFZPTHFSA-N	1	0	357.462	1.574	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2CN(CC(=C)C)C[C@@H]2n2ccnn2)CCOCC1	ZINC001129412488	938408102	/nfs/dbraw/zinc/40/81/02/938408102.db2.gz	SYAYSJUAFKXADH-SJORKVTESA-N	1	0	359.474	1.569	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)COc2ccccc2C)[C@@H](n2ccnn2)C1	ZINC001129412835	938408387	/nfs/dbraw/zinc/40/83/87/938408387.db2.gz	ZOWAUSKIHBECHE-MSOLQXFVSA-N	1	0	369.469	1.973	20	30		FDEDRO
C=CC[C@H](C(=O)N[C@@H]1CN(CCOC)C[C@@H]1n1ccnn1)c1ccccc1	ZINC001129449660	938419890	/nfs/dbraw/zinc/41/98/90/938419890.db2.gz	UTRQMXGWKATWIG-OTWHNJEPSA-N	1	0	369.469	1.626	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCc2nccs2)[C@@H](n2ccnn2)C1	ZINC001129441102	938426651	/nfs/dbraw/zinc/42/66/51/938426651.db2.gz	MMSRDCJPGZDJHH-CABCVRRESA-N	1	0	360.487	1.675	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)C2(CC#C)CCCCC2)[C@@H](n2ccnn2)C1	ZINC001129476679	938432820	/nfs/dbraw/zinc/43/28/20/938432820.db2.gz	OIVGHZYALXIYID-MSOLQXFVSA-N	1	0	353.470	1.617	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@@H+](CCCCCF)C[C@@H]1n1ccnn1	ZINC001129476732	938432876	/nfs/dbraw/zinc/43/28/76/938432876.db2.gz	PCSVHLGGMZDVED-CVEARBPZSA-N	1	0	353.442	1.352	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)N(C)C)[C@@H](n2ccnn2)C1	ZINC001129461272	938436152	/nfs/dbraw/zinc/43/61/52/938436152.db2.gz	TXUNFGCWCPBCNU-QYZOEREBSA-N	1	0	368.485	1.499	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)CN(C)c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129485194	938440901	/nfs/dbraw/zinc/44/09/01/938440901.db2.gz	YZAFUKMFYVDLMF-MOPGFXCFSA-N	1	0	368.485	1.722	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cc(C)no2)C[C@@H]1n1ccnn1	ZINC001129568609	938458016	/nfs/dbraw/zinc/45/80/16/938458016.db2.gz	IFQSXOQPGSRAAB-CVEARBPZSA-N	1	0	358.446	1.976	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n2ccnn2)C1	ZINC001129656301	938483058	/nfs/dbraw/zinc/48/30/58/938483058.db2.gz	OFIFASOKOWYATB-GADLPXAVSA-N	1	0	353.854	1.353	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]([NH2+]C/C=C/c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129678043	938491021	/nfs/dbraw/zinc/49/10/21/938491021.db2.gz	SLIVDPGBUQEUOU-APTSRADASA-N	1	0	367.453	1.536	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCOC2)[C@@H](n2ccnn2)C1	ZINC001129778628	938514216	/nfs/dbraw/zinc/51/42/16/938514216.db2.gz	YIXMUTJJAYJTAH-KURKYZTESA-N	1	0	359.474	1.240	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cncnc2)C[C@@H]1n1ccnn1	ZINC001129788017	938516242	/nfs/dbraw/zinc/51/62/42/938516242.db2.gz	GHCIEZRTSBKPCY-OIISXLGYSA-N	1	0	355.446	1.007	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CC2=CCCCC2)[C@@H](n2ccnn2)C1	ZINC001129829520	938523707	/nfs/dbraw/zinc/52/37/07/938523707.db2.gz	JRODOBNRHKOIPX-NXHRZFHOSA-N	1	0	357.458	1.158	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2ccnn2C)C[C@@H]1n1ccnn1	ZINC001129850333	938527475	/nfs/dbraw/zinc/52/74/75/938527475.db2.gz	XZMBTLRVHIEZOL-UXLLHSPISA-N	1	0	357.462	1.123	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)N2CCCCC2=O)C1	ZINC001086625535	938530618	/nfs/dbraw/zinc/53/06/18/938530618.db2.gz	HQPWYJMBETWJIB-YZGWKJHDSA-N	1	0	367.493	1.995	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H]([NH2+]C[C@@H](OC)C2CCC2)[C@@H](n2ccnn2)C1	ZINC001129881667	938537589	/nfs/dbraw/zinc/53/75/89/938537589.db2.gz	OGLDPBPSTGWLAB-FGTMMUONSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1n1ccnn1	ZINC001129887605	938540053	/nfs/dbraw/zinc/54/00/53/938540053.db2.gz	HUPNUJKFUVBLQM-CABCVRRESA-N	1	0	351.426	1.105	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(OC)cc2C)C[C@@H]1n1ccnn1	ZINC001129872072	938545167	/nfs/dbraw/zinc/54/51/67/938545167.db2.gz	ROYMUSWWTLJRHX-MOPGFXCFSA-N	1	0	369.469	1.755	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2c(C)cccc2C)C[C@@H]1n1ccnn1	ZINC001129875095	938546209	/nfs/dbraw/zinc/54/62/09/938546209.db2.gz	YBBBIZYDBYHSSU-MOPGFXCFSA-N	1	0	351.454	1.502	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc3n2CCCCC3)C[C@@H]1n1ccnn1	ZINC001129906881	938548753	/nfs/dbraw/zinc/54/87/53/938548753.db2.gz	FJCTXOHISNTCAF-WBVHZDCISA-N	1	0	369.473	1.432	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc3ccccn23)C[C@@H]1n1ccnn1	ZINC001129917238	938554159	/nfs/dbraw/zinc/55/41/59/938554159.db2.gz	OMCOHVDAXBOEPD-ZBFHGGJFSA-N	1	0	351.414	1.157	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2C3CC4CC(C3)CC2C4)C[C@@H]1n1ccnn1	ZINC001129894817	938556135	/nfs/dbraw/zinc/55/61/35/938556135.db2.gz	UEUYOAAFSDDUCT-BAQDPJJQSA-N	1	0	367.497	1.715	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cn(C)nc2C)C[C@@H]1n1ccnn1	ZINC001129895506	938557073	/nfs/dbraw/zinc/55/70/73/938557073.db2.gz	AUUCDGJAOJHJRK-OLMNPRSZSA-N	1	0	371.489	1.259	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnc(C3CC3)o2)C[C@@H]1n1ccnn1	ZINC001129896122	938557336	/nfs/dbraw/zinc/55/73/36/938557336.db2.gz	QTVDGQCPBJSTEL-CABCVRRESA-N	1	0	356.430	1.765	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cccc(CC)n2)C[C@@H]1n1ccnn1	ZINC001129897611	938558281	/nfs/dbraw/zinc/55/82/81/938558281.db2.gz	BXTNSHHZPLJJIY-MSOLQXFVSA-N	1	0	354.458	1.857	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3cc(F)ccc32)C[C@@H]1n1ccnn1	ZINC001129931933	938561925	/nfs/dbraw/zinc/56/19/25/938561925.db2.gz	GLGIESJGPDKWSW-OTWHNJEPSA-N	1	0	367.428	1.512	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnc(Cl)n2C)C[C@@H]1n1ccnn1	ZINC001129932123	938562347	/nfs/dbraw/zinc/56/23/47/938562347.db2.gz	MUHWPXXRUOESQO-OCCSQVGLSA-N	1	0	363.853	1.287	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc3oc(=O)[nH]c32)C[C@@H]1n1ccnn1	ZINC001129932295	938562361	/nfs/dbraw/zinc/56/23/61/938562361.db2.gz	VEVOXQBWCTVPEB-KGLIPLIRSA-N	1	0	368.397	1.356	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)noc2C2CC2)C[C@@H]1n1ccnn1	ZINC001129936688	938564261	/nfs/dbraw/zinc/56/42/61/938564261.db2.gz	KCBXRRWGXLLQJB-CABCVRRESA-N	1	0	354.414	1.131	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C2(COC)CCC2)C[C@@H]1n1ccnn1	ZINC001129938203	938564878	/nfs/dbraw/zinc/56/48/78/938564878.db2.gz	RCOVWXGBDWCUMX-BBWFWOEESA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2cnn(C)c2)C[C@@H]1n1ccnn1	ZINC001129941186	938566407	/nfs/dbraw/zinc/56/64/07/938566407.db2.gz	NFDUMGHMLIRTMK-UAGQMJEPSA-N	1	0	357.462	1.123	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2-c2ccoc2)C[C@@H]1n1ccnn1	ZINC001129941346	938566754	/nfs/dbraw/zinc/56/67/54/938566754.db2.gz	WOFJIZSTGGCRJL-CVEARBPZSA-N	1	0	367.413	1.493	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc3ncn(C)c32)C[C@@H]1n1ccnn1	ZINC001129920957	938568362	/nfs/dbraw/zinc/56/83/62/938568362.db2.gz	HRRCPTVUXADXLG-SJORKVTESA-N	1	0	365.441	1.396	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c3ccccc23)C[C@@H]1n1ccnn1	ZINC001129924789	938570251	/nfs/dbraw/zinc/57/02/51/938570251.db2.gz	JNCGPJYVSLQGTC-MSOLQXFVSA-N	1	0	350.426	1.991	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCc2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001129948977	938573830	/nfs/dbraw/zinc/57/38/30/938573830.db2.gz	IXDZXVKVQKPNHX-QRQLOZEOSA-N	1	0	369.469	1.719	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(C(N)=O)nc2)C1	ZINC001086626570	938576945	/nfs/dbraw/zinc/57/69/45/938576945.db2.gz	UXQDFJYYZVBEDB-PKOBYXMFSA-N	1	0	362.433	1.402	20	30		FDEDRO
C[C@H]1C[C@@H]1C(=O)N1C[C@@H]([NH2+]CC#Cc2ccc(F)cc2)[C@@H](n2ccnn2)C1	ZINC001129961204	938578505	/nfs/dbraw/zinc/57/85/05/938578505.db2.gz	DCCMYHDOZJUUOO-FZDIXFNVSA-N	1	0	367.428	1.466	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H]([NH2+]CC=C(C)C)[C@@H](n2ccnn2)C1	ZINC001129945110	938580399	/nfs/dbraw/zinc/58/03/99/938580399.db2.gz	CWBVWAJNOINPCX-ZIFCJYIRSA-N	1	0	361.490	1.815	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)COCC(F)F)C[C@@H]1n1ccnn1	ZINC001129948054	938582594	/nfs/dbraw/zinc/58/25/94/938582594.db2.gz	WQTHFTIZUMZXOJ-CABCVRRESA-N	1	0	371.432	1.648	20	30		FDEDRO
C#CCN(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1	ZINC000804835557	938590997	/nfs/dbraw/zinc/59/09/97/938590997.db2.gz	RBOJPZSYZRUCRV-UXHICEINSA-N	1	0	367.493	1.981	20	30		FDEDRO
C#Cc1cccc(NC(=O)NC(=O)CN2CCC(CO)([NH2+]C(C)C)CC2)c1	ZINC001170468938	938591237	/nfs/dbraw/zinc/59/12/37/938591237.db2.gz	ITCKFVWVBVOMHI-UHFFFAOYSA-N	1	0	372.469	1.141	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cncn2C)[C@@H](n2ccnn2)C1	ZINC001129977683	938592648	/nfs/dbraw/zinc/59/26/48/938592648.db2.gz	BLOHSEPGTBDXDI-UAGQMJEPSA-N	1	0	357.462	1.156	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H]([NH2+]CCOCC(F)F)[C@@H](n2ccnn2)C1	ZINC001129978023	938593447	/nfs/dbraw/zinc/59/34/47/938593447.db2.gz	OFBMGKUKMWVDDC-KFWWJZLASA-N	1	0	371.432	1.504	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2ncccc2OC)C[C@@H]1n1ccnn1	ZINC001129980394	938595420	/nfs/dbraw/zinc/59/54/20/938595420.db2.gz	JBERZXMKNKSLAI-SJORKVTESA-N	1	0	370.457	1.232	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnc(C)n2C)C[C@@H]1n1ccnn1	ZINC001129980701	938595740	/nfs/dbraw/zinc/59/57/40/938595740.db2.gz	UYBMZDYHZQUVSV-LXZKKBNFSA-N	1	0	357.462	1.330	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2nccc3ccccc32)C[C@@H]1n1ccnn1	ZINC001129980561	938595749	/nfs/dbraw/zinc/59/57/49/938595749.db2.gz	NVAZRJSWOLKQAD-MSOLQXFVSA-N	1	0	360.421	1.505	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2cccc(F)c2)C[C@@H]1n1ccnn1	ZINC001130002438	938608824	/nfs/dbraw/zinc/60/88/24/938608824.db2.gz	BZVZVZHGTCJKKV-IPELMVKDSA-N	1	0	369.444	1.976	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCc3cn(C(C)C)nc32)CC1	ZINC000804892029	938610681	/nfs/dbraw/zinc/61/06/81/938610681.db2.gz	VIKFGUGOZFYBQF-KRWDZBQOSA-N	1	0	373.501	1.724	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc3nonc3c2)C[C@@H]1n1ccnn1	ZINC001129987959	938610984	/nfs/dbraw/zinc/61/09/84/938610984.db2.gz	AJEKZRVOPBGKCP-SJORKVTESA-N	1	0	367.413	1.436	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ncccc2OCCC)C[C@@H]1n1ccnn1	ZINC001129991962	938613512	/nfs/dbraw/zinc/61/35/12/938613512.db2.gz	FDDRABPAXULCSM-CVEARBPZSA-N	1	0	368.441	1.141	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(F)cc(Cl)c2)C[C@@H]1n1ccnn1	ZINC001130015189	938616677	/nfs/dbraw/zinc/61/66/77/938616677.db2.gz	MIALCMNCZWGYBX-CVEARBPZSA-N	1	0	361.808	1.749	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1n1ccnn1	ZINC001130023897	938618633	/nfs/dbraw/zinc/61/86/33/938618633.db2.gz	CXKWDHFGNMTFRP-SJORKVTESA-N	1	0	357.462	1.332	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)ccc2F)C[C@@H]1n1ccnn1	ZINC001130020480	938619174	/nfs/dbraw/zinc/61/91/74/938619174.db2.gz	ISNLADQXYIPDNK-MSOLQXFVSA-N	1	0	371.416	1.031	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001130022584	938620689	/nfs/dbraw/zinc/62/06/89/938620689.db2.gz	FMQIXUSJNDRGTB-UHOSZYNNSA-N	1	0	351.454	1.755	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)COc2cccnc2)C[C@@H]1n1ccnn1	ZINC001130040978	938627452	/nfs/dbraw/zinc/62/74/52/938627452.db2.gz	WKEYNCJCUPKIJO-SJORKVTESA-N	1	0	356.430	1.060	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]([NH2+]CC/C=C\CC)[C@@H](n3ccnn3)C2)nn1	ZINC001130032647	938633315	/nfs/dbraw/zinc/63/33/15/938633315.db2.gz	LSADTSHTQONEKX-FHYYHZITSA-N	1	0	370.461	1.067	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)C[C@@H]1n1ccnn1	ZINC001130033673	938634324	/nfs/dbraw/zinc/63/43/24/938634324.db2.gz	AVXYDIXHKCKYOM-SWBPCFCJSA-N	1	0	361.449	1.229	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2coc(C3CCCC3)n2)C[C@@H]1n1ccnn1	ZINC001130062576	938650665	/nfs/dbraw/zinc/65/06/65/938650665.db2.gz	LXIYFNOGLFOCIB-WBVHZDCISA-N	1	0	368.441	1.602	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2cnccn2)C[C@@H]1n1ccnn1	ZINC001130070636	938657660	/nfs/dbraw/zinc/65/76/60/938657660.db2.gz	BPECAPNRELXXRR-SJORKVTESA-N	1	0	355.446	1.009	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3ccncc3c2)C[C@@H]1n1ccnn1	ZINC001130074973	938669267	/nfs/dbraw/zinc/66/92/67/938669267.db2.gz	KECCLPKOZUBCRE-MOPGFXCFSA-N	1	0	360.421	1.505	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2cc(C)ccc2F)C[C@@H]1n1ccnn1	ZINC001130095088	938679755	/nfs/dbraw/zinc/67/97/55/938679755.db2.gz	ZUUQJBKSKLUDDG-MSOLQXFVSA-N	1	0	357.433	1.886	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(F)cccc2Cl)C[C@@H]1n1ccnn1	ZINC001130099333	938681877	/nfs/dbraw/zinc/68/18/77/938681877.db2.gz	AWPYYRJLMOMTHO-CABCVRRESA-N	1	0	361.808	1.749	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCc2ccccn2)C[C@@H]1n1ccnn1	ZINC001130099331	938681916	/nfs/dbraw/zinc/68/19/16/938681916.db2.gz	AVIQNIUGEWBJFO-MSOLQXFVSA-N	1	0	354.458	1.614	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@H](C)CC2)C[C@@H]1n1ccnn1	ZINC001130099910	938682440	/nfs/dbraw/zinc/68/24/40/938682440.db2.gz	PVBOFOJBXBFROL-TVFCKZIOSA-N	1	0	361.490	1.649	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnn3cc[nH]c23)C[C@@H]1n1ccnn1	ZINC001130102143	938684174	/nfs/dbraw/zinc/68/41/74/938684174.db2.gz	JCIPZEQRGYCZLZ-BMFZPTHFSA-N	1	0	368.445	1.264	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3ccccc32)C[C@@H]1n1ccnn1	ZINC001130111651	938690522	/nfs/dbraw/zinc/69/05/22/938690522.db2.gz	JVTFDSNHKFRKCA-SJORKVTESA-N	1	0	365.441	1.776	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)COc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130125389	938696292	/nfs/dbraw/zinc/69/62/92/938696292.db2.gz	LGPVHABLLPQRND-QRQLOZEOSA-N	1	0	369.469	1.911	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001130145842	938706205	/nfs/dbraw/zinc/70/62/05/938706205.db2.gz	DXZDTDURTLJIEC-MANSERQUSA-N	1	0	367.428	1.586	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](F)Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130134050	938708809	/nfs/dbraw/zinc/70/88/09/938708809.db2.gz	PVUAPNBLIBTMIR-KSZLIROESA-N	1	0	355.417	1.224	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]([NH2+]CC2=CCCCC2)[C@@H](n2ccnn2)C1	ZINC001130148015	938710872	/nfs/dbraw/zinc/71/08/72/938710872.db2.gz	BLTHNXDQFPVUKW-MSOLQXFVSA-N	1	0	359.474	1.713	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)n2c(C)ccc2C)C[C@@H]1n1ccnn1	ZINC001130139563	938711711	/nfs/dbraw/zinc/71/17/11/938711711.db2.gz	DTQYFWLKOYKKFY-KSZLIROESA-N	1	0	356.474	1.875	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CC/C=C\CCC)[C@@H](n2ccnn2)C1	ZINC001130151240	938715652	/nfs/dbraw/zinc/71/56/52/938715652.db2.gz	KQTOVRXCDBNDTM-CBETYXLMSA-N	1	0	361.490	1.957	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2ccc(C)cc2)[C@@H](n2ccnn2)C1	ZINC001130151082	938715694	/nfs/dbraw/zinc/71/56/94/938715694.db2.gz	IDHGVPRATGOMSY-UHOSZYNNSA-N	1	0	369.469	1.719	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2ccccc2C)[C@@H](n2ccnn2)C1	ZINC001130151219	938715749	/nfs/dbraw/zinc/71/57/49/938715749.db2.gz	JOEKHHDQWRZJQE-QRQLOZEOSA-N	1	0	369.469	1.719	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)c2[nH]cnc2C)C[C@@H]1n1ccnn1	ZINC001130159057	938720463	/nfs/dbraw/zinc/72/04/63/938720463.db2.gz	ZQHDGJWUYVTXET-CVEARBPZSA-N	1	0	359.478	1.935	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2sccc2C)n1	ZINC001130177817	938725644	/nfs/dbraw/zinc/72/56/44/938725644.db2.gz	WASHDIIFQRRPOD-STQMWFEESA-N	1	0	359.455	1.200	20	30		FDEDRO
CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]Cc2ccccc2C#N)[nH]1	ZINC001130179347	938726499	/nfs/dbraw/zinc/72/64/99/938726499.db2.gz	CBZGXRZEJBQMSP-HOTGVXAUSA-N	1	0	368.441	1.365	20	30		FDEDRO
C=CCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]Cc2ccccn2)n[nH]1	ZINC001130193412	938738095	/nfs/dbraw/zinc/73/80/95/938738095.db2.gz	WUKKGQPPIQUKQY-HOTGVXAUSA-N	1	0	370.457	1.444	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC2=CCCCC2)[nH]1	ZINC001130196204	938739389	/nfs/dbraw/zinc/73/93/89/938739389.db2.gz	WWWQNECZKIAGTO-IRXDYDNUSA-N	1	0	371.485	1.797	20	30		FDEDRO
C#CCCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1	ZINC001130205213	938746110	/nfs/dbraw/zinc/74/61/10/938746110.db2.gz	VBCVZDSXHTVKCR-KBPBESRZSA-N	1	0	351.426	1.046	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2c(C)coc2C)n1	ZINC001130207479	938746743	/nfs/dbraw/zinc/74/67/43/938746743.db2.gz	CDZSYNZAMXKBRO-GJZGRUSLSA-N	1	0	371.441	1.430	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC2(F)F)[nH]1	ZINC001130207748	938747067	/nfs/dbraw/zinc/74/70/67/938747067.db2.gz	NWECEBARWRHBHS-TUAOUCFPSA-N	1	0	355.389	1.114	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](OCC)C(C)C)[nH]1	ZINC001130207816	938747097	/nfs/dbraw/zinc/74/70/97/938747097.db2.gz	QZJYMQQWYSWHBS-OFQRWUPVSA-N	1	0	365.478	1.130	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)sn2)[nH]1	ZINC001130209975	938747908	/nfs/dbraw/zinc/74/79/08/938747908.db2.gz	SKZXWCRSIRTSNO-AAEUAGOBSA-N	1	0	362.459	1.148	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(F)CCCC2)[nH]1	ZINC001130220548	938749660	/nfs/dbraw/zinc/74/96/60/938749660.db2.gz	CTEOCYDPGSPXEZ-KBPBESRZSA-N	1	0	365.453	1.741	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C#CC2CC2)[nH]1	ZINC001130213075	938750050	/nfs/dbraw/zinc/75/00/50/938750050.db2.gz	SHRCDSYKIVCDKL-XIRDDKMYSA-N	1	0	371.485	1.651	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(C3CC3)CC2)n1	ZINC001130216382	938752684	/nfs/dbraw/zinc/75/26/84/938752684.db2.gz	VVRDHVKTEWDPJJ-GJZGRUSLSA-N	1	0	357.458	1.097	20	30		FDEDRO
C[C@H](C#N)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CCCC2)[nH]1	ZINC001130202872	938755401	/nfs/dbraw/zinc/75/54/01/938755401.db2.gz	NBLSNONACQXEQS-SNPRPXQTSA-N	1	0	360.462	1.233	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCC(F)F)[nH]1	ZINC001130222784	938757146	/nfs/dbraw/zinc/75/71/46/938757146.db2.gz	FYXCTSMFBJTTTD-STQMWFEESA-N	1	0	371.432	1.895	20	30		FDEDRO
C#CCCCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1	ZINC001130224863	938758804	/nfs/dbraw/zinc/75/88/04/938758804.db2.gz	GATPBBGPEXPSFK-GJZGRUSLSA-N	1	0	365.453	1.436	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(CCF)CC2)n1	ZINC001130224995	938759282	/nfs/dbraw/zinc/75/92/82/938759282.db2.gz	MIDLLJSNBLRODW-KBPBESRZSA-N	1	0	363.437	1.046	20	30		FDEDRO
C=C/C(C)=C/CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC#CC)n[nH]1	ZINC001130227600	938761361	/nfs/dbraw/zinc/76/13/61/938761361.db2.gz	GIIWYFDYYSCQOJ-JEYQBLLFSA-N	1	0	357.458	1.429	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CC3(CCC3)C2)n1	ZINC001130230340	938763956	/nfs/dbraw/zinc/76/39/56/938763956.db2.gz	STWQPSXXFMEZJX-GJZGRUSLSA-N	1	0	357.458	1.097	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H](C=C)CC)[nH]1	ZINC001130232725	938765177	/nfs/dbraw/zinc/76/51/77/938765177.db2.gz	PIULXCOYBOVTRD-PMPSAXMXSA-N	1	0	359.474	1.509	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](CC(C)C)OC)[nH]1	ZINC001130232456	938765215	/nfs/dbraw/zinc/76/52/15/938765215.db2.gz	IDLGNXHMIUYRRZ-ZNMIVQPWSA-N	1	0	365.478	1.130	20	30		FDEDRO
C=C[C@H](CC)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCF)[nH]1	ZINC001130233123	938765404	/nfs/dbraw/zinc/76/54/04/938765404.db2.gz	YSIQNVKXXJACNF-ILXRZTDVSA-N	1	0	367.469	1.845	20	30		FDEDRO
C=CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC[C@@H](C)F)[nH]1	ZINC001130238092	938767819	/nfs/dbraw/zinc/76/78/19/938767819.db2.gz	SWUBNRQRSCKKKZ-ILXRZTDVSA-N	1	0	367.469	1.987	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCC(C)C)[nH]1	ZINC001130240460	938768408	/nfs/dbraw/zinc/76/84/08/938768408.db2.gz	PLRNQRBLDFYSIA-HOTGVXAUSA-N	1	0	361.490	1.733	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCCC(C)C)n1	ZINC001130240487	938768456	/nfs/dbraw/zinc/76/84/56/938768456.db2.gz	RBQXDNDFXXBKED-HOTGVXAUSA-N	1	0	361.490	1.733	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)(C)CC(C)C)n1	ZINC001130245976	938771500	/nfs/dbraw/zinc/77/15/00/938771500.db2.gz	AKCQYTILUXYDIY-GJZGRUSLSA-N	1	0	361.490	1.589	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H](C)COC)[nH]1	ZINC001130247092	938772155	/nfs/dbraw/zinc/77/21/55/938772155.db2.gz	UONOJUJJPAJQIE-ILXRZTDVSA-N	1	0	365.478	1.132	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](CC)SC)CC1	ZINC001130282301	938779652	/nfs/dbraw/zinc/77/96/52/938779652.db2.gz	RNWAFUAPSWUHFW-NUJGCVRESA-N	1	0	365.543	1.627	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCSC)CC1	ZINC001130269358	938784049	/nfs/dbraw/zinc/78/40/49/938784049.db2.gz	LVRXZKKWHFWCPI-QAPCUYQASA-N	1	0	353.532	1.791	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)SC)CC1	ZINC001130274411	938786451	/nfs/dbraw/zinc/78/64/51/938786451.db2.gz	MRUKRZHNENSSEX-UNEWFSDZSA-N	1	0	353.532	1.789	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COC2CCCC2)CC1	ZINC001130274557	938786696	/nfs/dbraw/zinc/78/66/96/938786696.db2.gz	UCAIOPKJULXBGJ-XLIONFOSSA-N	1	0	361.486	1.054	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCOCC)CC1	ZINC001130276494	938787270	/nfs/dbraw/zinc/78/72/70/938787270.db2.gz	CFVWOKGHIARXKI-XLIONFOSSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@H](C)OC)CC1	ZINC001130276457	938787348	/nfs/dbraw/zinc/78/73/48/938787348.db2.gz	BCEFYNNDECZFKJ-VPWXQRGCSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](OC)C2CC2)CC1	ZINC001130288298	938793018	/nfs/dbraw/zinc/79/30/18/938793018.db2.gz	NTUVJPLFZSLHKT-NEWSRXKRSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCO)CC1	ZINC001130292838	938796366	/nfs/dbraw/zinc/79/63/66/938796366.db2.gz	DOBUYKCBEITEDO-AEFFLSMTSA-N	1	0	365.518	1.447	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCC(F)F)CC1	ZINC001130293209	938796626	/nfs/dbraw/zinc/79/66/26/938796626.db2.gz	OIVHWPNYVPXBAJ-KDOFPFPSSA-N	1	0	355.429	1.530	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@H](C)OC)CC1	ZINC001130299078	938799305	/nfs/dbraw/zinc/79/93/05/938799305.db2.gz	WLEFVNPIDKXOCA-VPWXQRGCSA-N	1	0	365.518	1.853	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(C)(C)C(F)F)CC1	ZINC001130298950	938799314	/nfs/dbraw/zinc/79/93/14/938799314.db2.gz	OGXIIKHMHUUHBH-HIFRSBDPSA-N	1	0	355.429	1.386	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](OC)C(C)C)CC1	ZINC001130299108	938799475	/nfs/dbraw/zinc/79/94/75/938799475.db2.gz	XQQXFGUKCCORKN-NZSAHSFTSA-N	1	0	365.518	1.709	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)Cc2ccco2)CC1	ZINC001130302096	938800704	/nfs/dbraw/zinc/80/07/04/938800704.db2.gz	ORVKSECRXIOEBG-CVAIRZPRSA-N	1	0	371.481	1.567	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)/C=C/c2ccco2)C[C@H]1c1cn(C)cn1	ZINC001130476507	938867645	/nfs/dbraw/zinc/86/76/45/938867645.db2.gz	RGLBNMIPUPWRHQ-SUVIQUNHSA-N	1	0	368.437	1.260	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2C)C[C@H]1c1cn(C)cn1	ZINC001130497935	938882253	/nfs/dbraw/zinc/88/22/53/938882253.db2.gz	LFRZZTVOXDNFEX-FUHWJXTLSA-N	1	0	356.474	1.626	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(CC)CC)C[C@H]1c1cn(C)cn1	ZINC001130506169	938887340	/nfs/dbraw/zinc/88/73/40/938887340.db2.gz	ZOCRZMKNQTZKBI-DOTOQJQBSA-N	1	0	361.490	1.043	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnns2)C[C@H]1c1cn(C)cn1	ZINC001130509855	938888890	/nfs/dbraw/zinc/88/88/90/938888890.db2.gz	SPNJSJCMRQGRGL-KCQAQPDRSA-N	1	0	360.487	1.824	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)C(C)C)C[C@H]1c1cn(C)cn1	ZINC001130527710	938899657	/nfs/dbraw/zinc/89/96/57/938899657.db2.gz	HNQMJSCEPLYDEH-ZIFCJYIRSA-N	1	0	360.502	1.636	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)NCCn3cnc(C#N)n3)cc2)CC1	ZINC000806153029	938900878	/nfs/dbraw/zinc/90/08/78/938900878.db2.gz	HYGUFZKSSFKFOW-UHFFFAOYSA-N	1	0	368.445	1.113	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@H]2CCc3ncnn32)C1	ZINC001130537662	938901104	/nfs/dbraw/zinc/90/11/04/938901104.db2.gz	AWPFAXPXLQBLCG-HLLBOEOZSA-N	1	0	369.473	1.049	20	30		FDEDRO
Cc1cncc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2c2cn(C)cn2)c1	ZINC001130583797	939884461	/nfs/dbraw/zinc/88/44/61/939884461.db2.gz	RJYHRIWJXJWNAO-AZUAARDMSA-N	1	0	365.481	1.867	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnn(CC)n2)C[C@H]1c1cn(C)cn1	ZINC001130578357	939890536	/nfs/dbraw/zinc/89/05/36/939890536.db2.gz	JHTKJINEUIQCLA-RVKKMQEKSA-N	1	0	371.489	1.584	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cc(C)ncn2)C1	ZINC001130578644	939891473	/nfs/dbraw/zinc/89/14/73/939891473.db2.gz	XFJQGTVXGXFDOV-PKOBYXMFSA-N	1	0	366.469	1.406	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOCC(F)F)C1	ZINC001130578603	939891520	/nfs/dbraw/zinc/89/15/20/939891520.db2.gz	VHJXRJJIMHGYPL-GOEBONIOSA-N	1	0	368.428	1.389	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc3n[nH]nc32)C[C@H]1c1cn(C)cn1	ZINC001130600532	939895236	/nfs/dbraw/zinc/89/52/36/939895236.db2.gz	IEIUAMGCUIHUFL-WMLDXEAASA-N	1	0	365.441	1.465	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccncc2C)C[C@H]1c1cn(C)cn1	ZINC001130590359	939897050	/nfs/dbraw/zinc/89/70/50/939897050.db2.gz	MKFIRDWOGXVJQC-PKOBYXMFSA-N	1	0	351.454	1.274	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCOCC(F)F)C[C@H]1c1cn(C)cn1	ZINC001130593062	939900026	/nfs/dbraw/zinc/90/00/26/939900026.db2.gz	NOHCWYMXCQEVIN-GOEBONIOSA-N	1	0	370.444	1.942	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)C(C)C)C[C@H]1c1cn(C)cn1	ZINC001130599110	939904667	/nfs/dbraw/zinc/90/46/67/939904667.db2.gz	IOCCJCXATYFWTA-FUHWJXTLSA-N	1	0	360.502	1.636	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3occc3[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130599346	939904934	/nfs/dbraw/zinc/90/49/34/939904934.db2.gz	OPSFCWKVUXVWEZ-SUMWQHHRSA-N	1	0	351.410	1.716	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(CC)ccn2)C[C@H]1c1cn(C)cn1	ZINC001130601193	939905369	/nfs/dbraw/zinc/90/53/69/939905369.db2.gz	YAOPZQIXDCOVCO-QFBILLFUSA-N	1	0	351.454	1.599	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cn2cc(C3CC3)nn2)C[C@H]1c1cn(C)cn1	ZINC001130609963	939907705	/nfs/dbraw/zinc/90/77/05/939907705.db2.gz	DBPNGCXPIGHBEG-MAUKXSAKSA-N	1	0	369.473	1.049	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2CC)C[C@H]1c1cn(C)cn1	ZINC001130610359	939908013	/nfs/dbraw/zinc/90/80/13/939908013.db2.gz	KFFPFOXJCRHOIL-HNAYVOBHSA-N	1	0	370.501	1.880	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](OCC)C(C)C)C[C@H]1c1cn(C)cn1	ZINC001130611080	939908153	/nfs/dbraw/zinc/90/81/53/939908153.db2.gz	WVTFVVARUNCDDY-QXAKKESOSA-N	1	0	360.502	1.779	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2C=CCCC2)C[C@H]1c1cn(C)cn1	ZINC001130614859	939912419	/nfs/dbraw/zinc/91/24/19/939912419.db2.gz	FHPYZMGWPFAMMF-CMKODMSKSA-N	1	0	370.497	1.700	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2cnc(C)o2)C[C@H]1c1cn(C)cn1	ZINC001130604670	939916242	/nfs/dbraw/zinc/91/62/42/939916242.db2.gz	IGZILMNULPDCMK-FUHWJXTLSA-N	1	0	357.458	1.809	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C3CC3)cnn2C)C[C@H]1c1cn(C)cn1	ZINC001130607974	939920152	/nfs/dbraw/zinc/92/01/52/939920152.db2.gz	UYEQZQOJWAMLAZ-FUHWJXTLSA-N	1	0	366.469	1.252	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1c1cn(C)cn1	ZINC001130622132	939920825	/nfs/dbraw/zinc/92/08/25/939920825.db2.gz	RRIVPVNAYOUFSO-GOEBONIOSA-N	1	0	367.925	1.787	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccn3ccccc23)C[C@H]1c1cn(C)cn1	ZINC001130626676	939924349	/nfs/dbraw/zinc/92/43/49/939924349.db2.gz	RMEXIKXBXYZZTP-PKOBYXMFSA-N	1	0	361.449	1.894	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3ncccc3o2)C[C@H]1c1cn(C)cn1	ZINC001130632656	939935936	/nfs/dbraw/zinc/93/59/36/939935936.db2.gz	LNOBJCQUGGXRNI-WMLDXEAASA-N	1	0	363.421	1.782	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)on2)C[C@H]1c1cn(C)cn1	ZINC001130635065	939937098	/nfs/dbraw/zinc/93/70/98/939937098.db2.gz	HPLLSVDMQIHXSX-WMLDXEAASA-N	1	0	355.442	1.753	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCOC)C2)cc1	ZINC001130637982	939940203	/nfs/dbraw/zinc/94/02/03/939940203.db2.gz	WEHVDWNLOHUHDY-PKOBYXMFSA-N	1	0	352.438	1.246	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(CCC)n[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130638017	939940231	/nfs/dbraw/zinc/94/02/31/939940231.db2.gz	XSRFCMUURBHOCQ-MAUKXSAKSA-N	1	0	356.474	1.870	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCn2cncn2)C1	ZINC001130652181	939946252	/nfs/dbraw/zinc/94/62/52/939946252.db2.gz	HWFIRAYQIMPDPA-XYJFISCASA-N	1	0	371.489	1.198	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cncnc2)C[C@H]1c1cn(C)cn1	ZINC001130654559	939948395	/nfs/dbraw/zinc/94/83/95/939948395.db2.gz	MCRKIZMXIQLKKA-VDZJLULYSA-N	1	0	368.485	1.864	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)nc(OC)c2)C[C@H]1c1cn(C)cn1	ZINC001130654596	939948403	/nfs/dbraw/zinc/94/84/03/939948403.db2.gz	ODUFZAQMWPKFKN-FUHWJXTLSA-N	1	0	369.469	1.906	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)C=CCC2)C[C@H]1c1cn(C)cn1	ZINC001130644143	939952438	/nfs/dbraw/zinc/95/24/38/939952438.db2.gz	IZDFMWILVZEBMY-HQRMLTQVSA-N	1	0	356.470	1.310	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)C=CCC2)C[C@H]1c1cn(C)cn1	ZINC001130644440	939952568	/nfs/dbraw/zinc/95/25/68/939952568.db2.gz	RXVVYSJNYXFJDQ-HQRMLTQVSA-N	1	0	358.486	1.863	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccnc2OC)C[C@H]1c1cn(C)cn1	ZINC001130659834	939965796	/nfs/dbraw/zinc/96/57/96/939965796.db2.gz	WPWLGSSSBUTNCT-DOTOQJQBSA-N	1	0	355.442	1.598	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)C(F)F)C[C@H]1c1cn(C)cn1	ZINC001130667374	939969395	/nfs/dbraw/zinc/96/93/95/939969395.db2.gz	XKRRHZZTQBWKPE-DZGCQCFKSA-N	1	0	368.428	1.245	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2csc3cncn32)C[C@H]1c1cn(C)cn1	ZINC001130685227	939975039	/nfs/dbraw/zinc/97/50/39/939975039.db2.gz	JMGJGOXXXGEJGJ-DZGCQCFKSA-N	1	0	368.466	1.350	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)COc2cccnc2)C[C@H]1c1cn(C)cn1	ZINC001130692448	939980987	/nfs/dbraw/zinc/98/09/87/939980987.db2.gz	LCHYLKLEYJHGDX-PKOBYXMFSA-N	1	0	369.469	1.744	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccn3ccnc23)C[C@H]1c1cn(C)cn1	ZINC001130692523	939981338	/nfs/dbraw/zinc/98/13/38/939981338.db2.gz	OMPIRJFYWQKNRJ-FUHWJXTLSA-N	1	0	362.437	1.289	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cccc(OC)n2)C[C@H]1c1cn(C)cn1	ZINC001130704117	939984686	/nfs/dbraw/zinc/98/46/86/939984686.db2.gz	DZRIQZCZEHBAAV-MAUKXSAKSA-N	1	0	369.469	1.988	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(OC)n2)C[C@H]1c1cn(C)cn1	ZINC001130704573	939985391	/nfs/dbraw/zinc/98/53/91/939985391.db2.gz	UYABEUZAPZNGIC-WMLDXEAASA-N	1	0	353.426	1.045	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130701140	939996477	/nfs/dbraw/zinc/99/64/77/939996477.db2.gz	NHWGKVYGSQFCGW-WMLDXEAASA-N	1	0	370.457	1.011	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCC(=O)NCC)C[C@H]1c1cn(C)cn1	ZINC001130714565	940006470	/nfs/dbraw/zinc/00/64/70/940006470.db2.gz	DIUONMJMFSOALV-DOTOQJQBSA-N	1	0	361.490	1.187	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2ccccn2)C[C@H]1c1cn(C)cn1	ZINC001130715038	940007080	/nfs/dbraw/zinc/00/70/80/940007080.db2.gz	QJRQECRAUWOZLD-XYJFISCASA-N	1	0	367.453	1.190	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ncc3n2CCCC3)C[C@H]1c1cn(C)cn1	ZINC001130728892	940017711	/nfs/dbraw/zinc/01/77/11/940017711.db2.gz	ONVWEBZRUPTJBQ-FUHWJXTLSA-N	1	0	368.485	1.727	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2sccc2OC)C[C@H]1c1cn(C)cn1	ZINC001130719162	940022003	/nfs/dbraw/zinc/02/20/03/940022003.db2.gz	ADWQDLAISYUCGH-DZGCQCFKSA-N	1	0	358.467	1.711	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COc2ccccc2C)C[C@H]1c1cn(C)cn1	ZINC001130721501	940025348	/nfs/dbraw/zinc/02/53/48/940025348.db2.gz	KFLBAIIGBDLFHC-PKOBYXMFSA-N	1	0	366.465	1.715	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130721876	940026041	/nfs/dbraw/zinc/02/60/41/940026041.db2.gz	URWSSOZKLDTLSO-IMFGXOCKSA-N	1	0	366.465	1.795	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2[nH]cnc2CC)C[C@H]1c1cn(C)cn1	ZINC001130722076	940026334	/nfs/dbraw/zinc/02/63/34/940026334.db2.gz	ZFSWMFRVHRSLQD-WMLDXEAASA-N	1	0	356.474	1.870	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cn3ccccc3n2)C[C@H]1c1cn(C)cn1	ZINC001130725935	940030352	/nfs/dbraw/zinc/03/03/52/940030352.db2.gz	HRYAMOBTUJKGSC-DOTOQJQBSA-N	1	0	362.437	1.289	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCCn2cccn2)C[C@H]1c1cn(C)cn1	ZINC001130734014	940034833	/nfs/dbraw/zinc/03/48/33/940034833.db2.gz	HVKBHGFZVYIIKI-PKOBYXMFSA-N	1	0	370.501	1.947	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2cn(C)nn2)C[C@H]1c1cn(C)cn1	ZINC001130739689	940041671	/nfs/dbraw/zinc/04/16/71/940041671.db2.gz	KAQNTSJDOFWIPN-FUHWJXTLSA-N	1	0	371.489	1.032	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130731670	940045189	/nfs/dbraw/zinc/04/51/89/940045189.db2.gz	KRYBSWUODHJIGA-PZJWPPBQSA-N	1	0	360.461	1.769	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130741898	940046286	/nfs/dbraw/zinc/04/62/86/940046286.db2.gz	VSFJPFJOAHJMTF-FUHWJXTLSA-N	1	0	366.469	1.252	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cnc(C)cn3)n2)O1	ZINC001130752931	940061355	/nfs/dbraw/zinc/06/13/55/940061355.db2.gz	IPNYSJYVNZCNOS-DZGCQCFKSA-N	1	0	371.445	1.219	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](CC)OC)n2)O1	ZINC001130761540	940067316	/nfs/dbraw/zinc/06/73/16/940067316.db2.gz	AUGPXDUMVFNARL-MELADBBJSA-N	1	0	351.451	1.232	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](CC)OC)n2)O1	ZINC001130761970	940068519	/nfs/dbraw/zinc/06/85/19/940068519.db2.gz	KDANDLGCHVFREX-RWMBFGLXSA-N	1	0	371.869	1.408	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](CC)OC)n2)O1	ZINC001130762203	940069740	/nfs/dbraw/zinc/06/97/40/940069740.db2.gz	OUKYULFMJJCVCW-MELADBBJSA-N	1	0	351.451	1.232	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCc3ccco3)n2)O1	ZINC001130756622	940079458	/nfs/dbraw/zinc/07/94/58/940079458.db2.gz	QWTMQNFJKWQNOD-JKSUJKDBSA-N	1	0	371.441	1.480	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CSC(C)C)n2)O1	ZINC001130757622	940081790	/nfs/dbraw/zinc/08/17/90/940081790.db2.gz	COUQGYHJEMQSGL-QWHCGFSZSA-N	1	0	353.492	1.558	20	30		FDEDRO
C=CCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C/C=C\Cl)O2)n[nH]1	ZINC001130767164	940100112	/nfs/dbraw/zinc/10/01/12/940100112.db2.gz	ASOXOQCEFCSAIH-PAELRZLGSA-N	1	0	353.854	1.949	20	30		FDEDRO
C=CCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCCOC)O2)n[nH]1	ZINC001130767492	940101597	/nfs/dbraw/zinc/10/15/97/940101597.db2.gz	KXAWQKNSMKIFHJ-LSDHHAIUSA-N	1	0	365.478	1.623	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCOCC(C)C)n2)O1	ZINC001130767796	940102368	/nfs/dbraw/zinc/10/23/68/940102368.db2.gz	SHZSBQAVIVILDC-LSDHHAIUSA-N	1	0	365.478	1.479	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H](C)OC)n2)O1	ZINC001130769423	940106600	/nfs/dbraw/zinc/10/66/00/940106600.db2.gz	IZFUGZJVTVFZCQ-HZSPNIEDSA-N	1	0	351.451	1.232	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cscn3)n2)O1	ZINC001130769772	940107143	/nfs/dbraw/zinc/10/71/43/940107143.db2.gz	NYOQJTHEEDTTNS-WCQYABFASA-N	1	0	362.459	1.577	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H]3CCOC3)n2)O1	ZINC001130769799	940107606	/nfs/dbraw/zinc/10/76/06/940107606.db2.gz	OTRZAHPDBXEACL-QLFBSQMISA-N	1	0	363.462	1.233	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3oc(C)nc3C)n2)O1	ZINC001130772548	940113079	/nfs/dbraw/zinc/11/30/79/940113079.db2.gz	RFANDMYXTJULEN-QWHCGFSZSA-N	1	0	360.418	1.335	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCO)O2)n[nH]1	ZINC001130785411	940120227	/nfs/dbraw/zinc/12/02/27/940120227.db2.gz	LCOGPCUPVTUISR-NWDGAFQWSA-N	1	0	371.869	1.002	20	30		FDEDRO
C#CCCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCOC)O2)n[nH]1	ZINC001130776356	940125019	/nfs/dbraw/zinc/12/50/19/940125019.db2.gz	ACCFJSHCWHGYIH-LSDHHAIUSA-N	1	0	363.462	1.071	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)n3cccc3)n2)O1	ZINC001130776603	940125620	/nfs/dbraw/zinc/12/56/20/940125620.db2.gz	HMQHTZKBSIJWBQ-SOUVJXGZSA-N	1	0	358.446	1.479	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc[nH]c3CC)n2)O1	ZINC001130780987	940135648	/nfs/dbraw/zinc/13/56/48/940135648.db2.gz	JLDIEUORRSQXRL-SWLSCSKDSA-N	1	0	358.446	1.621	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C#CC(C)(C)C)n2)O1	ZINC001130781331	940137243	/nfs/dbraw/zinc/13/72/43/940137243.db2.gz	ZCEMNZVHYSZBBH-LSDHHAIUSA-N	1	0	357.458	1.303	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3cncc(C)c3)n2)O1	ZINC001130793846	940144289	/nfs/dbraw/zinc/14/42/89/940144289.db2.gz	CJFNKKIAPBNULG-JKSUJKDBSA-N	1	0	370.457	1.363	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@]3(C)C[C@H]4C[C@H]4C3)n2)O1	ZINC001130794137	940145586	/nfs/dbraw/zinc/14/55/86/940145586.db2.gz	NJGNBCSCWJHDIA-OYFMXXACSA-N	1	0	371.485	1.690	20	30		FDEDRO
C=C[C@H](CC)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1	ZINC001130796364	940150684	/nfs/dbraw/zinc/15/06/84/940150684.db2.gz	NZZXQBGBBPKCIC-HZSPNIEDSA-N	1	0	353.442	1.802	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc[nH]c3)n2)O1	ZINC001130787205	940154668	/nfs/dbraw/zinc/15/46/68/940154668.db2.gz	DZDLQOGREDUSFX-LSDHHAIUSA-N	1	0	358.446	1.839	20	30		FDEDRO
C=C(C)CCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCF)O2)n[nH]1	ZINC001130787571	940157290	/nfs/dbraw/zinc/15/72/90/940157290.db2.gz	ZDTCFYUWGQAHQF-UONOGXRCSA-N	1	0	353.442	1.947	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3occc3C)n2)O1	ZINC001130809236	940186780	/nfs/dbraw/zinc/18/67/80/940186780.db2.gz	NDHRXZQBLBXZKC-UONOGXRCSA-N	1	0	357.414	1.008	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](F)CC)n2)O1	ZINC001130799526	940192773	/nfs/dbraw/zinc/19/27/73/940192773.db2.gz	LCVSMOYSAMISLS-SDDRHHMPSA-N	1	0	359.833	1.731	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3Cc4ccccc43)n2)O1	ZINC001130799606	940193466	/nfs/dbraw/zinc/19/34/66/940193466.db2.gz	OKKRAFRHWCZKNB-USXIJHARSA-N	1	0	365.437	1.204	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(Cl)[nH]3)n2)O1	ZINC001130802155	940195720	/nfs/dbraw/zinc/19/57/20/940195720.db2.gz	FQZXGJMWMXSMJP-CMPLNLGQSA-N	1	0	364.837	1.712	20	30		FDEDRO
C=C1CCC(C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCF)O3)n[nH]2)CC1	ZINC001130802418	940197820	/nfs/dbraw/zinc/19/78/20/940197820.db2.gz	STTJWFZMRBXJAB-LSDHHAIUSA-N	1	0	365.453	1.947	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC34CCC4)n2)O1	ZINC001130811704	940205119	/nfs/dbraw/zinc/20/51/19/940205119.db2.gz	FPPQKJILRNRWAS-RRFJBIMHSA-N	1	0	359.474	1.997	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccccc3OC)n2)O1	ZINC001130816096	940217222	/nfs/dbraw/zinc/21/72/22/940217222.db2.gz	KQFBAQYFOWFRLR-XJKSGUPXSA-N	1	0	369.425	1.186	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccoc3CCC)n2)O1	ZINC001130816396	940219198	/nfs/dbraw/zinc/21/91/98/940219198.db2.gz	UVZNLNRDGQRKBD-XJKSGUPXSA-N	1	0	371.441	1.723	20	30		FDEDRO
CCOC(=O)C1C[NH2+]CCC1=Nc1ncc(Br)nc1C#N	ZINC001170517680	940231064	/nfs/dbraw/zinc/23/10/64/940231064.db2.gz	UWYKQOUJDKOHQO-UHFFFAOYSA-N	1	0	352.192	1.333	20	30		FDEDRO
CC[C@@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)c1ccco1	ZINC000807312775	940316241	/nfs/dbraw/zinc/31/62/41/940316241.db2.gz	RYJVHJXWSUUBHK-OCCSQVGLSA-N	1	0	358.402	1.184	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cncnc2C)C[C@H]1c1cncn1C	ZINC001130922628	940320265	/nfs/dbraw/zinc/32/02/65/940320265.db2.gz	NKFCQRPHMJLKOD-IAGOWNOFSA-N	1	0	354.458	1.683	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CC(F)(F)F)C[C@H]1c1cncn1C	ZINC001130924882	940321462	/nfs/dbraw/zinc/32/14/62/940321462.db2.gz	IKGSGWKLMHLOBY-CHWSQXEVSA-N	1	0	360.380	1.459	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccccc2)C1	ZINC001130983738	940398901	/nfs/dbraw/zinc/39/89/01/940398901.db2.gz	ZECMJSFCQUPHQQ-DBXWQHBBSA-N	1	0	368.481	1.831	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(CC)CC)C1	ZINC001130989203	940411629	/nfs/dbraw/zinc/41/16/29/940411629.db2.gz	XLHNPKRGULOTNL-CGTJXYLNSA-N	1	0	360.502	1.779	20	30		FDEDRO
CCCC[C@@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CCOC)C1	ZINC001130985734	940423027	/nfs/dbraw/zinc/42/30/27/940423027.db2.gz	NJDPZXHUOYXPCV-KZNAEPCWSA-N	1	0	360.502	1.780	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cn2ccc(C)n2)C[C@H]1c1cncn1C	ZINC001131001485	940427878	/nfs/dbraw/zinc/42/78/78/940427878.db2.gz	CKMIQYCCWDMEOH-CGTJXYLNSA-N	1	0	370.501	1.721	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COCc2ccc(C)cc2)C[C@H]1c1cncn1C	ZINC001131007672	940434191	/nfs/dbraw/zinc/43/41/91/940434191.db2.gz	FUJUWAVVMLMVLE-RTBURBONSA-N	1	0	366.465	1.463	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccnn2CCC)C[C@H]1c1cncn1C	ZINC001130999229	940435764	/nfs/dbraw/zinc/43/57/64/940435764.db2.gz	LGYNLFDGVCHNOV-HZPDHXFCSA-N	1	0	354.458	1.248	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccnn2C(C)C)C[C@H]1c1cncn1C	ZINC001130999629	940436300	/nfs/dbraw/zinc/43/63/00/940436300.db2.gz	WACVMWVSXWMGHV-HZPDHXFCSA-N	1	0	354.458	1.419	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3nccn3C2)C[C@H]1c1cncn1C	ZINC001131017537	940438157	/nfs/dbraw/zinc/43/81/57/940438157.db2.gz	AEVDWWVDXDQOKU-BRWVUGGUSA-N	1	0	368.485	1.339	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)n2ccnc2)C[C@H]1c1cncn1C	ZINC001131013212	940444785	/nfs/dbraw/zinc/44/47/85/940444785.db2.gz	XXFYKLJAPMCUKC-KZNAEPCWSA-N	1	0	368.485	1.421	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2CCC)C[C@H]1c1cncn1C	ZINC001131022935	940456407	/nfs/dbraw/zinc/45/64/07/940456407.db2.gz	KYRMGDUYPYQVFF-NVXWUHKLSA-N	1	0	354.458	1.317	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ocnc2C(F)F)C[C@H]1c1cncn1C	ZINC001131070125	940484260	/nfs/dbraw/zinc/48/42/60/940484260.db2.gz	GTAJULHSNDWFAE-VXGBXAGGSA-N	1	0	363.368	1.567	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccnc2)C[C@H]1c1cncn1C	ZINC001131073515	940485485	/nfs/dbraw/zinc/48/54/85/940485485.db2.gz	FGTOADLXOGSBAB-WJFTUGDTSA-N	1	0	363.465	1.526	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC23CCC3)C[C@H]1c1cncn1C	ZINC001131082100	940487857	/nfs/dbraw/zinc/48/78/57/940487857.db2.gz	IHOUHFQBULXZFW-BRWVUGGUSA-N	1	0	356.470	1.144	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1c1cncn1C	ZINC001131073587	940490219	/nfs/dbraw/zinc/49/02/19/940490219.db2.gz	ISRRXOZCTFHJTB-VDCDIQELSA-N	1	0	358.486	1.838	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1c1cncn1C	ZINC001131074137	940490368	/nfs/dbraw/zinc/49/03/68/940490368.db2.gz	WGEJHIAVSOLSPW-VDCDIQELSA-N	1	0	358.486	1.838	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn3ccccc23)C[C@H]1c1cncn1C	ZINC001131089576	940494828	/nfs/dbraw/zinc/49/48/28/940494828.db2.gz	OKUOFBZTHGPKHC-IAGOWNOFSA-N	1	0	364.453	1.842	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCN(C)c2ccccc2)C[C@H]1c1cncn1C	ZINC001131089526	940494885	/nfs/dbraw/zinc/49/48/85/940494885.db2.gz	LNOGLYMBMLLTKL-RTBURBONSA-N	1	0	365.481	1.464	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)c(C)c2)C[C@H]1c1cncn1C	ZINC001131089635	940494934	/nfs/dbraw/zinc/49/49/34/940494934.db2.gz	REVYAZNBXUORSZ-QZTJIDSGSA-N	1	0	366.465	1.958	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c(C)n[nH]c2C)C[C@H]1c1cncn1C	ZINC001131091484	940495722	/nfs/dbraw/zinc/49/57/22/940495722.db2.gz	JXLQWKDTMWWINF-HZPDHXFCSA-N	1	0	356.474	1.924	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ncccc2Cl)C[C@H]1c1cncn1C	ZINC001131113418	940499331	/nfs/dbraw/zinc/49/93/31/940499331.db2.gz	ZUQOMPNNQVLDFT-UKRRQHHQSA-N	1	0	357.845	1.690	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cn(C(C)C)nn2)C[C@H]1c1cncn1C	ZINC001131099858	940499516	/nfs/dbraw/zinc/49/95/16/940499516.db2.gz	XXLMUBXQWPQBCJ-HZPDHXFCSA-N	1	0	371.489	1.757	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn(C(C)C)c2C)C[C@H]1c1cncn1C	ZINC001131106069	940501737	/nfs/dbraw/zinc/50/17/37/940501737.db2.gz	NIYCZOXWIOLZQZ-QZTJIDSGSA-N	1	0	368.485	1.727	20	30		FDEDRO
C[NH+](C)CCN1c2ccccc2C(=NNc2cc(Cl)nc(N)n2)C1=O	ZINC000807980987	940503987	/nfs/dbraw/zinc/50/39/87/940503987.db2.gz	FVRRAJXDJUBCTE-UHFFFAOYSA-N	1	0	359.821	1.437	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(F)cc(F)c2)C[C@H]1c1cncn1C	ZINC001131119851	940505553	/nfs/dbraw/zinc/50/55/53/940505553.db2.gz	ZWQOTXNCFLYYDI-IAGOWNOFSA-N	1	0	358.392	1.919	20	30		FDEDRO
CCCCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CCOC)C1	ZINC001131119805	940505659	/nfs/dbraw/zinc/50/56/59/940505659.db2.gz	WYHXEORDERUSHY-QZTJIDSGSA-N	1	0	360.502	1.924	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CNC(=O)[C@H](C)CC)C[C@H]1c1cncn1C	ZINC001131126132	940507937	/nfs/dbraw/zinc/50/79/37/940507937.db2.gz	SKWZRCIRAWQPQH-BZUAXINKSA-N	1	0	361.490	1.043	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)cn2)C[C@H]1c1cncn1C	ZINC001131127995	940509912	/nfs/dbraw/zinc/50/99/12/940509912.db2.gz	POWWBNZWQZHVRZ-SJLPKXTDSA-N	1	0	366.469	1.102	20	30		FDEDRO
C=C[C@@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOC)C1)c1ccccc1	ZINC001131130433	940511054	/nfs/dbraw/zinc/51/10/54/940511054.db2.gz	MOXXSKVPAGPXLW-GUDVDZBRSA-N	1	0	368.481	1.920	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CN(C)Cc2ccccc2)C[C@H]1c1cncn1C	ZINC001131132427	940512425	/nfs/dbraw/zinc/51/24/25/940512425.db2.gz	KFRMIXAMDSUDNW-RTBURBONSA-N	1	0	365.481	1.069	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cnn(CC)c3)C2)C1=O	ZINC001086661983	940536072	/nfs/dbraw/zinc/53/60/72/940536072.db2.gz	SZJHVPWFWUERDV-USXIJHARSA-N	1	0	359.474	1.178	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1	ZINC000808293054	940538355	/nfs/dbraw/zinc/53/83/55/940538355.db2.gz	RHNUUMTVYNYIAX-SFHVURJKSA-N	1	0	363.483	1.621	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cccnc2)C1	ZINC001131298116	940545267	/nfs/dbraw/zinc/54/52/67/940545267.db2.gz	UBEBWSSUUGVDCI-KURKYZTESA-N	1	0	370.453	1.767	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)cc1C#N	ZINC000747495481	940545966	/nfs/dbraw/zinc/54/59/66/940545966.db2.gz	OFVLJONBUSMSHK-UHFFFAOYSA-N	1	0	366.421	1.883	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCCCOC)C1	ZINC001131304269	940547828	/nfs/dbraw/zinc/54/78/28/940547828.db2.gz	JSBCTIAWRSCBCQ-BBWFWOEESA-N	1	0	365.474	1.485	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCCCC)C[C@H]32)C1	ZINC001131307525	940549147	/nfs/dbraw/zinc/54/91/47/940549147.db2.gz	WBESMIRMOBNCHJ-BBWFWOEESA-N	1	0	365.474	1.485	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCC(=C)C)C[C@H]32)C1	ZINC001131307371	940549198	/nfs/dbraw/zinc/54/91/98/940549198.db2.gz	QNKKZAMJZDHHMA-KSZLIROESA-N	1	0	359.470	1.862	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C2(CF)CC2)C1	ZINC001131313125	940552673	/nfs/dbraw/zinc/55/26/73/940552673.db2.gz	HYGMTTJPVXAUQU-XHSDSOJGSA-N	1	0	365.449	1.808	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCC)CC1	ZINC001131441978	940591322	/nfs/dbraw/zinc/59/13/22/940591322.db2.gz	FFKWGRZFVQFYEI-UHOSZYNNSA-N	1	0	368.518	1.990	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCOC)CC1	ZINC001131442648	940592246	/nfs/dbraw/zinc/59/22/46/940592246.db2.gz	VZFOZOYXEIDOQA-UHOSZYNNSA-N	1	0	368.518	1.990	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc(C4CC4)[nH]3)C2)c1	ZINC001086668891	940595840	/nfs/dbraw/zinc/59/58/40/940595840.db2.gz	CXXJBPSFYCQQLV-SMDDNHRTSA-N	1	0	353.430	1.570	20	30		FDEDRO
CCc1nnc([C@@H](C)[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)[nH]1	ZINC001086669126	940597371	/nfs/dbraw/zinc/59/73/71/940597371.db2.gz	PUJHFVGIMQJDOC-MBNYWOFBSA-N	1	0	355.446	1.816	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)C2CC2)CC1	ZINC001131437275	940600836	/nfs/dbraw/zinc/60/08/36/940600836.db2.gz	SJHKKDMUKSVBSP-MJGOQNOKSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)OC)CC1	ZINC001131437274	940601074	/nfs/dbraw/zinc/60/10/74/940601074.db2.gz	SIAOADWPUZHIBR-HIFRSBDPSA-N	1	0	359.854	1.081	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2cc[nH]n2)CC1	ZINC001131458723	940613601	/nfs/dbraw/zinc/61/36/01/940613601.db2.gz	VCJKCVSKKXTLQP-MJGOQNOKSA-N	1	0	362.474	1.141	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC(=O)NC)CC1	ZINC001131482979	940638335	/nfs/dbraw/zinc/63/83/35/940638335.db2.gz	IKRAEGQDWDFKRB-XLIONFOSSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1	ZINC001131494249	940645522	/nfs/dbraw/zinc/64/55/22/940645522.db2.gz	KRJFEOJANMSROF-NXHRZFHOSA-N	1	0	359.470	1.173	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCOCC(F)F)CC1	ZINC001131498699	940648688	/nfs/dbraw/zinc/64/86/88/940648688.db2.gz	KDRLYACUPXCMGH-QAPCUYQASA-N	1	0	358.429	1.667	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCO[C@H]2C=C)CC1	ZINC001131500362	940651218	/nfs/dbraw/zinc/65/12/18/940651218.db2.gz	TVSQGEUETKQSFR-ZRNYENFQSA-N	1	0	360.498	1.977	20	30		FDEDRO
C=C(C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H]2CCN(C)C2=O)CC1	ZINC001131506866	940669193	/nfs/dbraw/zinc/66/91/93/940669193.db2.gz	SZHCRULAXQDIJY-AOIWGVFYSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(=O)NC)CC1	ZINC001131506918	940669662	/nfs/dbraw/zinc/66/96/62/940669662.db2.gz	WIADUYGAIQLMKY-KYJSFNMBSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2OCCO[C@H]2C)CC1	ZINC001131515572	940680834	/nfs/dbraw/zinc/68/08/34/940680834.db2.gz	SGHVMZLTBNCCOA-RANZSIQMSA-N	1	0	352.475	1.352	20	30		FDEDRO
C#CCC1(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCF)CC2)CCOCC1	ZINC001131515711	940681278	/nfs/dbraw/zinc/68/12/78/940681278.db2.gz	ZPUYTVVGGSAPNU-MSOLQXFVSA-N	1	0	366.477	1.762	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ncnc3[nH]ccc32)CC1	ZINC001131526218	940710816	/nfs/dbraw/zinc/71/08/16/940710816.db2.gz	FVXXNVVZZRCBAY-AEFFLSMTSA-N	1	0	367.453	1.532	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn(C)c2CC)CC1	ZINC001131526470	940711487	/nfs/dbraw/zinc/71/14/87/940711487.db2.gz	VCWLBWWXNXYFEI-MJGOQNOKSA-N	1	0	358.486	1.605	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](CCC)OC)CC1	ZINC001131541292	940715290	/nfs/dbraw/zinc/71/52/90/940715290.db2.gz	GYUWJDAUEKCGDP-QYZOEREBSA-N	1	0	368.518	1.990	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCNC(=O)C3)C2)s1	ZINC001086670978	940716697	/nfs/dbraw/zinc/71/66/97/940716697.db2.gz	GGNHXOHDLGILQW-BFHYXJOUSA-N	1	0	360.483	1.520	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(OC)ccn2)CC1	ZINC001131538275	940726423	/nfs/dbraw/zinc/72/64/23/940726423.db2.gz	KUVCKIILNWOFCS-MJGOQNOKSA-N	1	0	357.454	1.713	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1	ZINC001131538229	940726435	/nfs/dbraw/zinc/72/64/35/940726435.db2.gz	JYIVXUUTFGKMJX-AOIWGVFYSA-N	1	0	354.491	1.193	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+][C@H](C)COC)CC2)c1	ZINC001131561753	940735195	/nfs/dbraw/zinc/73/51/95/940735195.db2.gz	CINXZJPWOYEZRC-YSGRDPCXSA-N	1	0	371.481	1.697	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](CC)NC(C)=O)CC1	ZINC001131570662	940746593	/nfs/dbraw/zinc/74/65/93/940746593.db2.gz	MHJCOSPXSWODNG-KURKYZTESA-N	1	0	351.491	1.463	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC23CCC3)CC1	ZINC001131571078	940747117	/nfs/dbraw/zinc/74/71/17/940747117.db2.gz	ZTXCOFVFCCRCIG-QRVBRYPASA-N	1	0	360.498	1.812	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc3nncn3c2)CC1	ZINC001131577902	940755036	/nfs/dbraw/zinc/75/50/36/940755036.db2.gz	HZXWBKJXIMECSH-MJGOQNOKSA-N	1	0	369.469	1.905	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccnn2)CC1	ZINC001131582839	940768503	/nfs/dbraw/zinc/76/85/03/940768503.db2.gz	BZVTXSKZOWAWMY-AEFFLSMTSA-N	1	0	360.458	1.279	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ncc3n2CCCC3)CC1	ZINC001131605113	940775201	/nfs/dbraw/zinc/77/52/01/940775201.db2.gz	XICCXQFXWVUGBJ-MOPGFXCFSA-N	1	0	370.497	1.842	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](NC(C)=O)C(C)C)CC1	ZINC001131594730	940777109	/nfs/dbraw/zinc/77/71/09/940777109.db2.gz	BIVLYHUDGHHVSF-QRVBRYPASA-N	1	0	363.502	1.156	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2cncn2C)CC1	ZINC001131600130	940784044	/nfs/dbraw/zinc/78/40/44/940784044.db2.gz	YHLMBZWSIVARLC-QUCCMNQESA-N	1	0	360.502	1.915	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CN(CC)CCO2)CC1	ZINC001131606796	940784284	/nfs/dbraw/zinc/78/42/84/940784284.db2.gz	GNJAEYRKJQRIMW-QRVBRYPASA-N	1	0	365.518	1.269	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2nn(CC)nc2C)CC1	ZINC001131615083	940793790	/nfs/dbraw/zinc/79/37/90/940793790.db2.gz	CSTISWHFBDZQGN-AEFFLSMTSA-N	1	0	359.474	1.229	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COC[C@H]2CCCO2)CC1	ZINC001131617714	940795018	/nfs/dbraw/zinc/79/50/18/940795018.db2.gz	WMCJRFIQNLTYCG-GGPKGHCWSA-N	1	0	366.502	1.744	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CCNC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)C1=O	ZINC001131627245	940800238	/nfs/dbraw/zinc/80/02/38/940800238.db2.gz	YKADHTMZCDCERJ-CEXWTWQISA-N	1	0	355.482	1.748	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1)[C@H]1CCCO1	ZINC000809311402	940815560	/nfs/dbraw/zinc/81/55/60/940815560.db2.gz	HMUUUTFAZUJQKT-ZGUYJTEBSA-N	1	0	361.486	1.006	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)C[C@@H]1C	ZINC000809503999	940846136	/nfs/dbraw/zinc/84/61/36/940846136.db2.gz	CUGSKNNUSBGMCW-WMLDXEAASA-N	1	0	372.469	1.514	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCCCC3)C2)c[nH]1	ZINC001086676839	940949451	/nfs/dbraw/zinc/94/94/51/940949451.db2.gz	XJHOWHGWLPKZNZ-DOTOQJQBSA-N	1	0	371.485	1.777	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cnnc(C)c3)C2)C1=O	ZINC001086682930	941060703	/nfs/dbraw/zinc/06/07/03/941060703.db2.gz	OEOJHFYKGUGZTQ-USXIJHARSA-N	1	0	357.458	1.060	20	30		FDEDRO
Cn1nncc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1	ZINC001086687980	941080071	/nfs/dbraw/zinc/08/00/71/941080071.db2.gz	UEGQRJVWQFUPFQ-DZGCQCFKSA-N	1	0	356.405	1.514	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1	ZINC001086699182	941170417	/nfs/dbraw/zinc/17/04/17/941170417.db2.gz	YCWBYTZBEGQHSR-ABFRBSLYSA-N	1	0	374.489	1.364	20	30		FDEDRO
C=C(Cl)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)CC1	ZINC001098482426	941176983	/nfs/dbraw/zinc/17/69/83/941176983.db2.gz	FYBLITYPSCCJRV-HZPDHXFCSA-N	1	0	366.893	1.561	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@H](O)COc2c(C)ccc(C)c2C)CC1	ZINC000747816359	941274352	/nfs/dbraw/zinc/27/43/52/941274352.db2.gz	AUUBPFCNPCYUEW-IBGZPJMESA-N	1	0	358.482	1.813	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(=O)N(Cc2ccccc2)C(C)C)CC1	ZINC000747820222	941274553	/nfs/dbraw/zinc/27/45/53/941274553.db2.gz	PCLJVAJTYRYMTA-UHFFFAOYSA-N	1	0	355.482	1.885	20	30		FDEDRO
C#C[C@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccc(F)cc1	ZINC000812939292	941298158	/nfs/dbraw/zinc/29/81/58/941298158.db2.gz	VXIRZKNTARMODN-SFHVURJKSA-N	1	0	372.444	1.450	20	30		FDEDRO
CN1C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)CC1=O	ZINC001086711673	941371540	/nfs/dbraw/zinc/37/15/40/941371540.db2.gz	XMDUDKCURCYKAV-BMGDILEWSA-N	1	0	354.454	1.411	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1sc(C)c(C)c1C	ZINC001134054404	941531033	/nfs/dbraw/zinc/53/10/33/941531033.db2.gz	IDOOGMICTUTXCO-CABCVRRESA-N	1	0	365.499	1.909	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NCC1CCCCC1	ZINC001134061903	941540367	/nfs/dbraw/zinc/54/03/67/941540367.db2.gz	IVFUXDOEEBFXGG-UAGQMJEPSA-N	1	0	351.491	1.368	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)Nc1c(F)cccc1F	ZINC001134061689	941540506	/nfs/dbraw/zinc/54/05/06/941540506.db2.gz	CWTFIJKGMLZHBL-JMSVASOKSA-N	1	0	367.396	1.589	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N[C@@H]1CCCc2ccccc21	ZINC001134061998	941540745	/nfs/dbraw/zinc/54/07/45/941540745.db2.gz	NHBOSCQJQJKPOL-QRVBRYPASA-N	1	0	371.481	1.477	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)N(CC)c1ccccc1	ZINC001134062052	941540864	/nfs/dbraw/zinc/54/08/64/941540864.db2.gz	PLBLFBCJUZVLBU-NXHRZFHOSA-N	1	0	359.470	1.725	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cccnc1	ZINC001134145370	941576115	/nfs/dbraw/zinc/57/61/15/941576115.db2.gz	WKPVCKHXWBSFAE-RYQLBKOJSA-N	1	0	358.486	1.704	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc3n(n2)CCO3)C1	ZINC001086718823	941578789	/nfs/dbraw/zinc/57/87/89/941578789.db2.gz	UOHMBKGBSYGFMP-NWDGAFQWSA-N	1	0	369.263	1.672	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cn(C)nc2C)C1	ZINC001086720787	941620091	/nfs/dbraw/zinc/62/00/91/941620091.db2.gz	OFIHUZRCUCWMPD-UHOSZYNNSA-N	1	0	357.502	1.201	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CCOCC2)C1	ZINC001086721133	941642336	/nfs/dbraw/zinc/64/23/36/941642336.db2.gz	IGPZPAJKHXEBSA-ZCNNSNEGSA-N	1	0	361.530	1.775	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000815082326	941777035	/nfs/dbraw/zinc/77/70/35/941777035.db2.gz	KUNLVHPQZPNFAG-UHFFFAOYSA-N	1	0	370.272	1.554	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1cc(C(=O)OC)c(F)cc1C	ZINC000815082491	941777067	/nfs/dbraw/zinc/77/70/67/941777067.db2.gz	UUHDGRKQTFTIGH-UHFFFAOYSA-N	1	0	356.419	1.154	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(-n2cc(C)cn2)c(F)c1	ZINC000815082215	941777831	/nfs/dbraw/zinc/77/78/31/941777831.db2.gz	FZCGKNGMFJYRSW-UHFFFAOYSA-N	1	0	364.446	1.553	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1	ZINC000815083424	941778409	/nfs/dbraw/zinc/77/84/09/941778409.db2.gz	XZKUHBFVVHZRRI-UHFFFAOYSA-N	1	0	365.499	1.905	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CN2c3ccccc3OC(F)(F)C2=O)CC1	ZINC000815485974	941880875	/nfs/dbraw/zinc/88/08/75/941880875.db2.gz	RCXSTXILCICLSD-UHFFFAOYSA-N	1	0	364.352	1.109	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCN(c2ccccc2)C1=O	ZINC001135067985	941884051	/nfs/dbraw/zinc/88/40/51/941884051.db2.gz	VCMYESHRSAXIAO-OTWHNJEPSA-N	1	0	371.481	1.869	20	30		FDEDRO
N#Cc1ccsc1NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000815524813	941897819	/nfs/dbraw/zinc/89/78/19/941897819.db2.gz	IWUWCWNVZOJROS-CQSZACIVSA-N	1	0	362.455	1.318	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCO[C@H]2c2ccccc2)C1=O	ZINC001135132708	941924428	/nfs/dbraw/zinc/92/44/28/941924428.db2.gz	RBQDVAPPTBJSGN-KURKYZTESA-N	1	0	357.454	1.257	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCCc1ccccc1	ZINC001135142250	941927239	/nfs/dbraw/zinc/92/72/39/941927239.db2.gz	MGDCUNMCWWESLJ-HKUYNNGSSA-N	1	0	359.470	1.032	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]Cc1cc(C(F)(F)F)nn1C	ZINC001135142367	941927809	/nfs/dbraw/zinc/92/78/09/941927809.db2.gz	QYEYKHWZHBDWTC-JSGCOSHPSA-N	1	0	360.380	1.626	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1nc(C)cs1	ZINC001135147455	941942185	/nfs/dbraw/zinc/94/21/85/941942185.db2.gz	HYVINGGAVVJPKF-JSGCOSHPSA-N	1	0	352.460	1.077	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(cnn2C(C)C)c1	ZINC000815860840	941995817	/nfs/dbraw/zinc/99/58/17/941995817.db2.gz	CXGSRIIZOYRIBL-UHFFFAOYSA-N	1	0	355.442	1.627	20	30		FDEDRO
CCN1CCOC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001086738463	942150609	/nfs/dbraw/zinc/15/06/09/942150609.db2.gz	BZAGSRBCYLGBNR-XUVXKRRUSA-N	1	0	370.497	1.653	20	30		FDEDRO
CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](C[NH2+]CC2(C#N)CC2)C1	ZINC000816597656	942271889	/nfs/dbraw/zinc/27/18/89/942271889.db2.gz	AONLSVQEVPJNOT-CQSZACIVSA-N	1	0	350.463	1.643	20	30		FDEDRO
O=C(NCCNC(=O)C1N=CC=CC1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000816923545	942383042	/nfs/dbraw/zinc/38/30/42/942383042.db2.gz	KZYUMFOHIIWNDK-OSCRUYLVSA-N	1	0	368.437	1.151	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3coc(C(N)=O)c3)C2)c1	ZINC001086766558	942427192	/nfs/dbraw/zinc/42/71/92/942427192.db2.gz	WWFPRTMGVCMMIU-DOTOQJQBSA-N	1	0	366.421	1.938	20	30		FDEDRO
Cc1nn[nH]c1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1	ZINC001086773006	942458646	/nfs/dbraw/zinc/45/86/46/942458646.db2.gz	PDSBWTFMHWUKIK-DZGCQCFKSA-N	1	0	356.405	1.812	20	30		FDEDRO
CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cccc([C@H](C#N)C(=O)OC(C)(C)C)n1	ZINC001170868029	942775045	/nfs/dbraw/zinc/77/50/45/942775045.db2.gz	OUFDLZUFZZLGFP-GZBFAFLISA-N	1	0	374.441	1.593	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1	ZINC001086804635	942783220	/nfs/dbraw/zinc/78/32/20/942783220.db2.gz	XDJXTGVVJSPXNS-XJKSGUPXSA-N	1	0	365.437	1.674	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CC2(C[NH3+])CC2)cc1	ZINC000817923081	943080126	/nfs/dbraw/zinc/08/01/26/943080126.db2.gz	REOQWWLFOHHJIA-HKWRFOASSA-N	1	0	364.471	1.567	20	30		FDEDRO
C=CCCN(OCc1ccccc1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1	ZINC000817984980	943118718	/nfs/dbraw/zinc/11/87/18/943118718.db2.gz	DKTRJJCVUBNXPS-MSOLQXFVSA-N	1	0	357.454	1.733	20	30		FDEDRO
C=CCn1cc(CNC(=O)Nc2ccccc2N2CC[NH+](C)CC2)nn1	ZINC000818097537	943160619	/nfs/dbraw/zinc/16/06/19/943160619.db2.gz	WGTHSIBACIBRCF-UHFFFAOYSA-N	1	0	355.446	1.538	20	30		FDEDRO
C=CCNC(=O)c1ccccc1NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1	ZINC000818046616	943165942	/nfs/dbraw/zinc/16/59/42/943165942.db2.gz	AQJNZZGLKQVZJB-ZDUSSCGKSA-N	1	0	354.414	1.371	20	30		FDEDRO
C[NH2+]C[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1	ZINC000818490957	943256460	/nfs/dbraw/zinc/25/64/60/943256460.db2.gz	OPSHEESCJXXRNU-WGBIJJAVSA-N	1	0	352.460	1.293	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)CCn1c2ccccc2n(CCC)c1=O	ZINC000818615376	943303111	/nfs/dbraw/zinc/30/31/11/943303111.db2.gz	LNIVZZOIDAVVKJ-UHFFFAOYSA-N	1	0	356.470	1.674	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)CCc1c(C)nc2c(c(C)nn2C)c1C	ZINC000818615169	943304163	/nfs/dbraw/zinc/30/41/63/943304163.db2.gz	COSXXYFVSKZSLF-UHFFFAOYSA-N	1	0	355.486	1.897	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000818592833	943324246	/nfs/dbraw/zinc/32/42/46/943324246.db2.gz	BCVLKYUREOFXQI-HNNXBMFYSA-N	1	0	365.499	1.112	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C[C@H]1CCCN(C(=O)NCC(C)C)C1	ZINC000818606306	943330113	/nfs/dbraw/zinc/33/01/13/943330113.db2.gz	KULCAGQBJXLCQF-QGZVFWFLSA-N	1	0	350.507	1.525	20	30		FDEDRO
Cc1cc2ncn(C[C@H](O)C[NH2+]CCNc3ccc(C#N)cn3)c2cc1C	ZINC000818951887	943361039	/nfs/dbraw/zinc/36/10/39/943361039.db2.gz	AJRCLXCCBQMBGP-QGZVFWFLSA-N	1	0	364.453	1.982	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@H]3CC(C)(C)CO3)C2)nn1	ZINC001086823824	943370637	/nfs/dbraw/zinc/37/06/37/943370637.db2.gz	YLKALARZHGHOQN-ARFHVFGLSA-N	1	0	361.490	1.767	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncc(C)s3)C2)nn1	ZINC001086823380	943387230	/nfs/dbraw/zinc/38/72/30/943387230.db2.gz	BJINNJIQUGDYOB-UONOGXRCSA-N	1	0	360.487	1.917	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]CC[S@@](=O)Cc2ccccc2)cc1	ZINC000819043827	943392691	/nfs/dbraw/zinc/39/26/91/943392691.db2.gz	VSKQLTLPCKRRPE-IQGLISFBSA-N	1	0	358.463	1.836	20	30		FDEDRO
CN(C)c1ccc(N2CCC([NH2+]C[C@@H](O)CN(C)CCC#N)CC2)cc1	ZINC000819108769	943431250	/nfs/dbraw/zinc/43/12/50/943431250.db2.gz	NHEVNTNQBPPVMO-HXUWFJFHSA-N	1	0	359.518	1.517	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H](C)c3cnccn3)C2)nn1	ZINC001086825041	943437871	/nfs/dbraw/zinc/43/78/71/943437871.db2.gz	NLICLIBMNPOLLS-HRCADAONSA-N	1	0	369.473	1.894	20	30		FDEDRO
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C[C@@H](O)CN(C)CCC#N	ZINC000819247282	943482482	/nfs/dbraw/zinc/48/24/82/943482482.db2.gz	KURHYYNHKGABOX-BZUAXINKSA-N	1	0	354.495	1.428	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([NH2+]C[C@@H](O)c3ccc(F)cn3)C2=O)cc1	ZINC000819219130	943492128	/nfs/dbraw/zinc/49/21/28/943492128.db2.gz	YARMXYYUJYPOIL-QZTJIDSGSA-N	1	0	354.385	1.911	20	30		FDEDRO
C[C@](O)(C[NH2+]CC(=O)NCC#N)c1ccc(Br)cc1Cl	ZINC000819310930	943509941	/nfs/dbraw/zinc/50/99/41/943509941.db2.gz	JQFQOJTWXKWNSH-ZDUSSCGKSA-N	1	0	360.639	1.539	20	30		FDEDRO
CCOC(=O)Nc1ccc(NC[C@@H](O)C[NH+]2CCN(C)CC2)cc1C#N	ZINC000819462359	943601373	/nfs/dbraw/zinc/60/13/73/943601373.db2.gz	QQSDSYOIRKYVGK-MRXNPFEDSA-N	1	0	361.446	1.147	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C[C@@H]21	ZINC000819555521	943646609	/nfs/dbraw/zinc/64/66/09/943646609.db2.gz	WUQPUCHREQGOOI-KFWWJZLASA-N	1	0	350.463	1.736	20	30		FDEDRO
COc1ccc(Br)c(CNN=C2CC[NH+](CCO)CC2)c1	ZINC000819809135	943735269	/nfs/dbraw/zinc/73/52/69/943735269.db2.gz	AKEHXZCXWHGUIZ-UHFFFAOYSA-N	1	0	356.264	1.991	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccc(F)cc1	ZINC000820495087	944072410	/nfs/dbraw/zinc/07/24/10/944072410.db2.gz	MSYIBFSQFXESRV-RTBURBONSA-N	1	0	358.461	1.921	20	30		FDEDRO
C#C[C@H](NC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1)c1ccccc1	ZINC000820604419	944141061	/nfs/dbraw/zinc/14/10/61/944141061.db2.gz	BTNJTSZOIRCSQB-SFHVURJKSA-N	1	0	356.470	1.557	20	30		FDEDRO
C#CCCCOc1cccnc1N1CCN(C(=O)C[NH+](CC)CC)CC1	ZINC000820652756	944145401	/nfs/dbraw/zinc/14/54/01/944145401.db2.gz	WVTGSFMFJDABJS-UHFFFAOYSA-N	1	0	358.486	1.864	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1cc(-c2ccc(OC)c(OC)c2)n(C)n1	ZINC000820687794	944155940	/nfs/dbraw/zinc/15/59/40/944155940.db2.gz	AFLGYMBWGADLEN-UHFFFAOYSA-N	1	0	370.453	1.789	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](CC)[NH2+][C@@H](C)C2)ccc1F	ZINC000856409577	971128257	/nfs/dbraw/zinc/12/82/57/971128257.db2.gz	UVIZGQFNFSZEFW-GXTWGEPZSA-N	1	0	369.462	1.503	20	30		FDEDRO
C#C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)C1CCOCC1	ZINC000823174228	945518875	/nfs/dbraw/zinc/51/88/75/945518875.db2.gz	YYXKGYLYBZYLBJ-NZSAHSFTSA-N	1	0	362.518	1.082	20	30		FDEDRO
O=C(N[C@@H]1CCCN(O)C1=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2	ZINC000823160646	945543120	/nfs/dbraw/zinc/54/31/20/945543120.db2.gz	JCEOYIQYUHYBDY-QKLQHJQFSA-N	1	0	373.453	1.022	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C(C)(C)[C@H]21	ZINC001573282911	946702674	/nfs/dbraw/zinc/70/26/74/946702674.db2.gz	NOJUUYSLKLLIBA-YUELXQCFSA-N	1	0	353.430	1.047	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1	ZINC001573285341	946776690	/nfs/dbraw/zinc/77/66/90/946776690.db2.gz	GTBXTWDXHXPGRK-STQMWFEESA-N	1	0	374.470	1.047	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573285456	946778909	/nfs/dbraw/zinc/77/89/09/946778909.db2.gz	XANAODWPHGOCKW-WBVHZDCISA-N	1	0	366.469	1.997	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1	ZINC000856645603	971281505	/nfs/dbraw/zinc/28/15/05/971281505.db2.gz	BDGHYNYKVMULQC-QFBILLFUSA-N	1	0	359.470	1.940	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001195894185	971284755	/nfs/dbraw/zinc/28/47/55/971284755.db2.gz	WEWWJSPJLISAMP-QZTJIDSGSA-N	1	0	362.518	1.062	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1	ZINC000856654171	971286673	/nfs/dbraw/zinc/28/66/73/971286673.db2.gz	QYNAEVBUSYNEES-LJQANCHMSA-N	1	0	359.470	1.941	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@H+](C[C@H](O)C3CCCCC3)C[C@H]2O)CCC1	ZINC001195897169	971287494	/nfs/dbraw/zinc/28/74/94/971287494.db2.gz	RUFGVSIKPNBKCI-FGTMMUONSA-N	1	0	350.503	1.835	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]2C1	ZINC001573293733	946964581	/nfs/dbraw/zinc/96/45/81/946964581.db2.gz	ICZUYZAPVQEWHH-RRFJBIMHSA-N	1	0	369.473	1.991	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1	ZINC001573562953	946981730	/nfs/dbraw/zinc/98/17/30/946981730.db2.gz	YGNYXOGVLCMJQU-BLLLJJGKSA-N	1	0	353.430	1.353	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC(C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1	ZINC001573564015	946988450	/nfs/dbraw/zinc/98/84/50/946988450.db2.gz	DLWMDOGIVQANLZ-GFCCVEGCSA-N	1	0	371.420	1.494	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](C[C@@H](O)COCC(C)C)CC1	ZINC001195886215	971307900	/nfs/dbraw/zinc/30/79/00/971307900.db2.gz	STQCKOGIBQCQNB-QRVBRYPASA-N	1	0	368.518	1.535	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC([N@H+](C)Cc2ccccc2-c2nn[nH]n2)CC1	ZINC001573564186	946992372	/nfs/dbraw/zinc/99/23/72/946992372.db2.gz	HNURAVFSDSLQBE-CYBMUJFWSA-N	1	0	353.430	1.449	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+](CCCO[C@H]3CCOC3)C[C@H]2O)CCC1	ZINC001195939788	971310180	/nfs/dbraw/zinc/31/01/80/971310180.db2.gz	GINAOWISQZWDPR-GVDBMIGSSA-N	1	0	352.475	1.090	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1	ZINC001573294978	947005601	/nfs/dbraw/zinc/00/56/01/947005601.db2.gz	KHGBKPWUXMROOK-LLVKDONJSA-N	1	0	363.853	1.778	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@](C)(C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573565551	947009832	/nfs/dbraw/zinc/00/98/32/947009832.db2.gz	RWHOTNYXOXSADM-SGTLLEGYSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573565961	947017682	/nfs/dbraw/zinc/01/76/82/947017682.db2.gz	XPWAPQCYANJEOY-FZKQIMNGSA-N	1	0	353.430	1.355	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@H](C[N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)C1	ZINC001573567556	947045927	/nfs/dbraw/zinc/04/59/27/947045927.db2.gz	OPRAKHPYEXVPAD-QWHCGFSZSA-N	1	0	373.486	1.758	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1CC	ZINC001573296948	947057640	/nfs/dbraw/zinc/05/76/40/947057640.db2.gz	CDMSPAGORMIKSK-RYUDHWBXSA-N	1	0	363.853	1.778	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@]2(C1)CCCN(c1cc[nH+]cc1-c1nn[nH]n1)C2	ZINC001573567924	947060625	/nfs/dbraw/zinc/06/06/25/947060625.db2.gz	UYEQJUNSJICWPA-ACJLOTCBSA-N	1	0	366.429	1.240	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@](C)(C[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1	ZINC001573569530	947069621	/nfs/dbraw/zinc/06/96/21/947069621.db2.gz	AQASKDATWRGQKT-SGTLLEGYSA-N	1	0	353.430	1.401	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21	ZINC001573570420	947085575	/nfs/dbraw/zinc/08/55/75/947085575.db2.gz	OGZYOUFDLRJBFL-GMXVVIOVSA-N	1	0	357.443	1.121	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1	ZINC001573571748	947101583	/nfs/dbraw/zinc/10/15/83/947101583.db2.gz	ALXHHRKTCNQKTG-DOMZBBRYSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1	ZINC001573571730	947102195	/nfs/dbraw/zinc/10/21/95/947102195.db2.gz	AJIOIBIPQYIKJP-UNXYVOJBSA-N	1	0	359.459	1.605	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC1(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCCC1	ZINC001573571785	947103683	/nfs/dbraw/zinc/10/36/83/947103683.db2.gz	AWUXGEOVZXJGPQ-LBPRGKRZSA-N	1	0	371.420	1.684	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1	ZINC001573573638	947123997	/nfs/dbraw/zinc/12/39/97/947123997.db2.gz	ORBQFQYVVGLCKL-GXTWGEPZSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCCC1	ZINC001573576045	947148058	/nfs/dbraw/zinc/14/80/58/947148058.db2.gz	CXDNOUWQEZULKG-LBPRGKRZSA-N	1	0	371.420	1.684	20	30		FDEDRO
COc1cc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)ccc1C#N	ZINC000825330783	947155901	/nfs/dbraw/zinc/15/59/01/947155901.db2.gz	CRJMTLILXJVALJ-INIZCTEOSA-N	1	0	358.442	1.239	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@@]1(C)CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573578005	947178169	/nfs/dbraw/zinc/17/81/69/947178169.db2.gz	XDTCKROFTXVHQC-IFXJQAMLSA-N	1	0	367.457	1.745	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H](C)C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1	ZINC001573584929	947237470	/nfs/dbraw/zinc/23/74/70/947237470.db2.gz	HPEACYFDCJNUOA-KBPBESRZSA-N	1	0	367.457	1.743	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F	ZINC001573585762	947267441	/nfs/dbraw/zinc/26/74/41/947267441.db2.gz	VVHAOFZGRPUQLD-IUIKQTSFSA-N	1	0	371.420	1.682	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1-c1nn[nH]n1	ZINC001573586246	947282438	/nfs/dbraw/zinc/28/24/38/947282438.db2.gz	MNDRQZFWHGPZMA-OYNZBZHQSA-N	1	0	351.414	1.248	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N(C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1	ZINC001573317140	947291988	/nfs/dbraw/zinc/29/19/88/947291988.db2.gz	LOWOOGCKCVQBEK-GUYCJALGSA-N	1	0	369.473	1.935	20	30		FDEDRO
C=CCC(C)(C)C(=O)N(C)[C@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1	ZINC001573319917	947337146	/nfs/dbraw/zinc/33/71/46/947337146.db2.gz	SSLIATWJSJAYAD-CYBMUJFWSA-N	1	0	357.462	1.853	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2COCCN2C)C[C@H]1c1ccc(OC)cc1	ZINC001090869171	947383707	/nfs/dbraw/zinc/38/37/07/947383707.db2.gz	SHGUJOSRTOSKCL-IPMKNSEASA-N	1	0	359.470	1.096	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnnc(C)c2)C[C@H]1c1ccc(OC)cc1	ZINC001090870194	947387344	/nfs/dbraw/zinc/38/73/44/947387344.db2.gz	AYEJXFLZXYGTDO-RBUKOAKNSA-N	1	0	350.422	1.625	20	30		FDEDRO
C=CCCC(=O)N[C@H]1CN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1(C)C	ZINC001573328150	947402348	/nfs/dbraw/zinc/40/23/48/947402348.db2.gz	RLXYKRDFYIFMIN-HNNXBMFYSA-N	1	0	355.446	1.867	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2[NH2+]Cc2cnnn2C)cc1	ZINC001090866558	947404229	/nfs/dbraw/zinc/40/42/29/947404229.db2.gz	IQUVQSNPVWAMDU-JEBQAFNWSA-N	1	0	368.441	1.068	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)nn2)C[C@H]1c1ccc(OC)cc1	ZINC001090870932	947417112	/nfs/dbraw/zinc/41/71/12/947417112.db2.gz	GDRFTTMTNVZKND-PKOBYXMFSA-N	1	0	350.422	1.625	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]2NCC#N)cc1	ZINC001090875517	947493396	/nfs/dbraw/zinc/49/33/96/947493396.db2.gz	XUHPTEBBBHDRCW-IPMKNSEASA-N	1	0	356.470	1.587	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090872605	947502593	/nfs/dbraw/zinc/50/25/93/947502593.db2.gz	OJZXZOBAKAJBLT-YTQUADARSA-N	1	0	369.465	1.081	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1c1ccc(OC)cc1	ZINC001090872874	947504740	/nfs/dbraw/zinc/50/47/40/947504740.db2.gz	UFOGOKDOSIOSIJ-ZWQIFLOQSA-N	1	0	369.465	1.127	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2cc(F)cc(C#N)c2)CC1	ZINC000867147654	971391040	/nfs/dbraw/zinc/39/10/40/971391040.db2.gz	NOVJSCPNNCEBQH-ZDUSSCGKSA-N	1	0	354.451	1.002	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1c1ccc(OC)cc1	ZINC001090875987	947552030	/nfs/dbraw/zinc/55/20/30/947552030.db2.gz	LONJHPPOQBFTGE-DLBZAZTESA-N	1	0	367.405	1.218	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccnc(OC)n2)C[C@H]1c1ccc(OC)cc1	ZINC001090876248	947556404	/nfs/dbraw/zinc/55/64/04/947556404.db2.gz	UZNXTNNYQHMLGK-FUHWJXTLSA-N	1	0	368.437	1.878	20	30		FDEDRO
C=CCOCC[NH2+]C1CCC(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1	ZINC001573348507	947583013	/nfs/dbraw/zinc/58/30/13/947583013.db2.gz	RHASYNDWCMAGHY-UHFFFAOYSA-N	1	0	359.434	1.028	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccc(=O)n2C)C[C@H]1c1ccc(OC)cc1	ZINC001090880695	947595334	/nfs/dbraw/zinc/59/53/34/947595334.db2.gz	FTUPEUKHEAOAIS-ZWKOTPCHSA-N	1	0	367.449	1.778	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C[C@H]2NCC#N)cc1	ZINC001090884409	947641868	/nfs/dbraw/zinc/64/18/68/947641868.db2.gz	PNZJDQHTVJERAQ-ZVDOUQERSA-N	1	0	368.481	1.589	20	30		FDEDRO
CO[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C	ZINC001090905337	947908414	/nfs/dbraw/zinc/90/84/14/947908414.db2.gz	SHSWVXFIJHYQEJ-NXHRZFHOSA-N	1	0	362.449	1.603	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(c2cc(C)ncc2C#N)C[C@H]1OC	ZINC001090924546	947934657	/nfs/dbraw/zinc/93/46/57/947934657.db2.gz	LOFXLRJCTFHVLT-NVXWUHKLSA-N	1	0	359.474	1.312	20	30		FDEDRO
C[N@H+](C[C@H](O)c1cccc(C#N)c1)C[C@@](C)(O)CNC(=O)OC(C)(C)C	ZINC000844371394	948000453	/nfs/dbraw/zinc/00/04/53/948000453.db2.gz	OGFPEGJUPOJNOF-LPHOPBHVSA-N	1	0	363.458	1.799	20	30		FDEDRO
CC(C)NC(=O)CNC(=S)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000844596708	948234796	/nfs/dbraw/zinc/23/47/96/948234796.db2.gz	NCBCUUUNJRSNTD-UHFFFAOYSA-N	1	0	373.526	1.511	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)/C=C/c2ccc(F)cc2)CC1	ZINC001144210444	948383102	/nfs/dbraw/zinc/38/31/02/948383102.db2.gz	UUKRQEMODHOFMY-YXMGTMDOSA-N	1	0	361.461	1.798	20	30		FDEDRO
N#CCOc1ccc(C[NH2+]C2CC(CNC(=O)[C@]34C[C@H]3COC4)C2)cc1	ZINC001091038558	948571342	/nfs/dbraw/zinc/57/13/42/948571342.db2.gz	OOFKWZVURCDORG-UGZUTAHUSA-N	1	0	355.438	1.610	20	30		FDEDRO
CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NC[C@@]1([NH+](C)C)CCSC1	ZINC000845023587	948610249	/nfs/dbraw/zinc/61/02/49/948610249.db2.gz	YHHCBBUKQPDIHL-AEFFLSMTSA-N	1	0	362.499	1.670	20	30		FDEDRO
Cc1cc(N2C[C@H]3OCCN(C(=O)CCCC[NH+](C)C)[C@H]3C2)c(C#N)cn1	ZINC001091047638	948637425	/nfs/dbraw/zinc/63/74/25/948637425.db2.gz	IAMUDTQXUYLFKL-RBUKOAKNSA-N	1	0	371.485	1.410	20	30		FDEDRO
COC(=O)N1CC(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000845066440	948662088	/nfs/dbraw/zinc/66/20/88/948662088.db2.gz	WHERYCXABDSRBD-UHFFFAOYSA-N	1	0	371.441	1.272	20	30		FDEDRO
CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	ZINC000845174783	948771838	/nfs/dbraw/zinc/77/18/38/948771838.db2.gz	TUIWSDSBTYJNIM-GOSISDBHSA-N	1	0	373.501	1.259	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(N3CCCC3)ncn2)C1	ZINC001196161957	971514746	/nfs/dbraw/zinc/51/47/46/971514746.db2.gz	SUBFNTUPZZWUOH-DJIMGWMZSA-N	1	0	359.474	1.206	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NCC1CC([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC001091076235	948995711	/nfs/dbraw/zinc/99/57/11/948995711.db2.gz	STEZTNBHHBLOIF-QZXDYEHLSA-N	1	0	361.417	1.486	20	30		FDEDRO
C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2cnc(-c3nn[nH]n3)c(C#N)n2)C1	ZINC001575515067	949181131	/nfs/dbraw/zinc/18/11/31/949181131.db2.gz	FQPGSBXYJICFFA-TZMCWYRMSA-N	1	0	361.413	1.776	20	30		FDEDRO
C#Cc1ccc(C[N@H+]2Cc3ccnn3C[C@H](COCC(=O)N(C)C)C2)cc1	ZINC001144568859	949946876	/nfs/dbraw/zinc/94/68/76/949946876.db2.gz	GHZJHMNQCKBXNU-LJQANCHMSA-N	1	0	366.465	1.601	20	30		FDEDRO
C#Cc1ccc(C[N@H+]2CCC[C@@]3(C[C@@H](OCC(=O)N(C)C)CO3)C2)cc1	ZINC001144572395	949954650	/nfs/dbraw/zinc/95/46/50/949954650.db2.gz	YBSCNEOKQIHKJO-TZIWHRDSSA-N	1	0	356.466	1.896	20	30		FDEDRO
C[C@H](C#N)CN(C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)C1CC1	ZINC000845875073	950047959	/nfs/dbraw/zinc/04/79/59/950047959.db2.gz	LDNPINQIVYZPHC-HIFRSBDPSA-N	1	0	352.479	1.982	20	30		FDEDRO
C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3ccccc3)o2)C1	ZINC001196340358	971631048	/nfs/dbraw/zinc/63/10/48/971631048.db2.gz	ZZHWDWZYFOCJLI-IAGOWNOFSA-N	1	0	356.422	1.924	20	30		FDEDRO
C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1ccc(C#N)cc1	ZINC001574739367	950189908	/nfs/dbraw/zinc/18/99/08/950189908.db2.gz	ODJJFNBKEIXGHM-GFCCVEGCSA-N	1	0	364.413	1.317	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2C(F)(F)F)C1	ZINC001196436958	971669686	/nfs/dbraw/zinc/66/96/86/971669686.db2.gz	DWXXQJIEFACPSF-RAIGVLPGSA-N	1	0	360.380	1.569	20	30		FDEDRO
CC(=O)N1CCOC[C@]2(CN([C@@H](C)Cc3cccc(C#N)c3)CCO2)C1	ZINC001171213206	950545479	/nfs/dbraw/zinc/54/54/79/950545479.db2.gz	WYPLSUMQEWJQIQ-JXFKEZNVSA-N	1	0	357.454	1.439	20	30		FDEDRO
CC(=O)NCc1nnn2c1C[N@H+]([C@H](C)Cc1cccc(C#N)c1)CCC2	ZINC001171216263	950577542	/nfs/dbraw/zinc/57/75/42/950577542.db2.gz	GXAJKTRQIFPREK-CQSZACIVSA-N	1	0	352.442	1.623	20	30		FDEDRO
N#Cc1cccnc1NCCNC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000846139512	950619995	/nfs/dbraw/zinc/61/99/95/950619995.db2.gz	OSURVQVGJQFFOM-ULQDDVLXSA-N	1	0	372.473	1.293	20	30		FDEDRO
CC(C)C[N@H+](C)CCCNC(=O)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1	ZINC000846286950	950852181	/nfs/dbraw/zinc/85/21/81/950852181.db2.gz	PTGRXHYEEWBNCF-SFHVURJKSA-N	1	0	374.485	1.144	20	30		FDEDRO
C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1ccc(C#N)cc1F	ZINC001575017229	950979872	/nfs/dbraw/zinc/97/98/72/950979872.db2.gz	IJNAYIMJFFFMBF-JTQLQIEISA-N	1	0	368.376	1.114	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C12CCC2	ZINC001571003899	951128441	/nfs/dbraw/zinc/12/84/41/951128441.db2.gz	DNXNYDWMNDSHTH-STQMWFEESA-N	1	0	361.837	1.578	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)N2CCCCCC2)C1	ZINC001091239268	951129701	/nfs/dbraw/zinc/12/97/01/951129701.db2.gz	QYSJTMVIBXHEIM-HIEASXQVSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CC([NH2+]CCc2cnn(C)c2)C1	ZINC001091274110	951319925	/nfs/dbraw/zinc/31/99/25/951319925.db2.gz	IPXQUCHMERJHHN-BTRQGYIVSA-N	1	0	360.502	1.818	20	30		FDEDRO
COc1ccc2c(c1)c1c(n2CC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CCCC1	ZINC000846677586	951440097	/nfs/dbraw/zinc/44/00/97/951440097.db2.gz	NUEMKAUUBRBDKK-DYVFJYSZSA-N	1	0	352.438	1.756	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)c2)C1	ZINC001091403803	951596734	/nfs/dbraw/zinc/59/67/34/951596734.db2.gz	ARNMNHTWRZAFSG-NADOGSGZSA-N	1	0	367.449	1.208	20	30		FDEDRO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1	ZINC000847039684	951789235	/nfs/dbraw/zinc/78/92/35/951789235.db2.gz	KXDWAERMSBWAFC-YTQUADARSA-N	1	0	356.470	1.381	20	30		FDEDRO
C[C@@H](CNC(=O)C#CC(C)(C)C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1	ZINC001575100198	951844325	/nfs/dbraw/zinc/84/43/25/951844325.db2.gz	SAOUPHDDIBZRQC-GFCCVEGCSA-N	1	0	360.487	1.820	20	30		FDEDRO
C[C@]12CN(C(=O)c3cn[nH]c3)C[C@H]1C[N@H+](Cc1ccc(OCC#N)cc1)C2	ZINC001091511409	951907691	/nfs/dbraw/zinc/90/76/91/951907691.db2.gz	VXZHFYNTHQUWAY-XLIONFOSSA-N	1	0	365.437	1.906	20	30		FDEDRO
Cn1cc(CC(=O)N2C[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@@]3(C)C2)cn1	ZINC001091528771	951947800	/nfs/dbraw/zinc/94/78/00/951947800.db2.gz	PVUBEMKUJYCYGS-CTNGQTDRSA-N	1	0	363.465	1.815	20	30		FDEDRO
CN1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@@]3(C)C2)C1	ZINC001091565460	952090887	/nfs/dbraw/zinc/09/08/87/952090887.db2.gz	QJPKACLUODEUNE-DYXWJJEUSA-N	1	0	368.481	1.169	20	30		FDEDRO
CC(C)N1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@]3(C)C2)C1=O	ZINC001091574952	952113093	/nfs/dbraw/zinc/11/30/93/952113093.db2.gz	SOSOCZKLINGQCE-SYNHAJSKSA-N	1	0	369.469	1.290	20	30		FDEDRO
Cc1noc(CCC[N@@H+]2C[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@]3(C)C2)n1	ZINC001091575203	952113838	/nfs/dbraw/zinc/11/38/38/952113838.db2.gz	XNJVLLAKZFXLRC-BEFAXECRSA-N	1	0	368.441	1.605	20	30		FDEDRO
N#Cc1cncc(N[C@@H]2CC[C@H](CNC(=O)CC[NH+]3CCCCC3)C2)n1	ZINC001091581635	952135955	/nfs/dbraw/zinc/13/59/55/952135955.db2.gz	ZJFOFPHGMPZFSG-JKSUJKDBSA-N	1	0	356.474	1.921	20	30		FDEDRO
CCc1nc(C#N)cc(N[C@@H]2CC[C@H](CNC(=O)C[C@H]3CC[N@H+](C)C3)C2)n1	ZINC001091593524	952185509	/nfs/dbraw/zinc/18/55/09/952185509.db2.gz	JQATXUUJCXMYTQ-ARFHVFGLSA-N	1	0	370.501	1.949	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C(C)(C)C1	ZINC001571086169	952201394	/nfs/dbraw/zinc/20/13/94/952201394.db2.gz	YMUFKTPHQLWBAG-NHYWBVRUSA-N	1	0	371.420	1.492	20	30		FDEDRO
CC1CC[NH+](CC(=O)NC[C@H]2CC[C@@H](Nc3ccncc3C#N)C2)CC1	ZINC001091601738	952222575	/nfs/dbraw/zinc/22/25/75/952222575.db2.gz	ZFXFVXZCNIJOGW-FUHWJXTLSA-N	1	0	355.486	1.804	20	30		FDEDRO
COc1cccc(C[N@@H+]2C[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@]3(C)C2)n1	ZINC001091607185	952263247	/nfs/dbraw/zinc/26/32/47/952263247.db2.gz	UJCIUUMFOBAMRN-VLIAUNLRSA-N	1	0	365.437	1.884	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(NC(N)=O)CCCCC2)C1	ZINC001196624288	971819777	/nfs/dbraw/zinc/81/97/77/971819777.db2.gz	UJXBLNJNOHFGES-HZPDHXFCSA-N	1	0	368.522	1.489	20	30		FDEDRO
C[C@]12CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]1C[N@H+](C[C@H]1CCNC(=O)CC1)C2	ZINC001091613036	952289173	/nfs/dbraw/zinc/28/91/73/952289173.db2.gz	KTEVREFGHIMSNA-KKVAFCGZSA-N	1	0	369.469	1.197	20	30		FDEDRO
N#Cc1cncc(N[C@@H]2CC[C@H](CNC(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)n1	ZINC001091620668	952336192	/nfs/dbraw/zinc/33/61/92/952336192.db2.gz	BREPKRBBPNGXDD-GMBSWORKSA-N	1	0	368.485	1.919	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@H]3COC(=O)N3)C[C@H]1C[N@H+](Cc1ccc(C#N)s1)C2	ZINC001091641476	952447967	/nfs/dbraw/zinc/44/79/67/952447967.db2.gz	SUSHYQHSSFYXBV-WHCBVINPSA-N	1	0	360.439	1.008	20	30		FDEDRO
Cn1cnc(C(=O)N2C[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@@]3(C)C2)n1	ZINC001091646613	952483395	/nfs/dbraw/zinc/48/33/95/952483395.db2.gz	WUVGGJKOVMASSB-APWZRJJASA-N	1	0	350.426	1.281	20	30		FDEDRO
C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc2c(c1)CCC(=O)N2	ZINC000772984542	952502591	/nfs/dbraw/zinc/50/25/91/952502591.db2.gz	OIXOKACDGOBQDA-ROHOOWMXSA-N	1	0	354.410	1.748	20	30		FDEDRO
C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1C[N@H+](Cc1ccc3nonc3c1)C2	ZINC001091659507	952519504	/nfs/dbraw/zinc/51/95/04/952519504.db2.gz	LWLVCBZEFIMWEC-UZLBHIALSA-N	1	0	350.422	1.917	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@@]3(C)C2)[nH]1	ZINC001091662166	952527037	/nfs/dbraw/zinc/52/70/37/952527037.db2.gz	WCIRCAYMJWHWNC-XLIONFOSSA-N	1	0	364.453	1.508	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1CNc1ccc(C#N)nc1	ZINC001091667363	952554933	/nfs/dbraw/zinc/55/49/33/952554933.db2.gz	NXFWIVHMTIUSNO-CRAIPNDOSA-N	1	0	359.474	1.569	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNc1cccc(F)c1C#N	ZINC001091672587	952589381	/nfs/dbraw/zinc/58/93/81/952589381.db2.gz	NJULSWYLGMQSBP-RDTXWAMCSA-N	1	0	362.449	1.924	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)N(CC)C1CC1)C2	ZINC001148310694	952679651	/nfs/dbraw/zinc/67/96/51/952679651.db2.gz	KCRGNQGWZSPUQL-SJORKVTESA-N	1	0	361.486	1.123	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3ccco3)C2)C1	ZINC001148320979	952686085	/nfs/dbraw/zinc/68/60/85/952686085.db2.gz	LUCOCAFZZSNYLY-BZUAXINKSA-N	1	0	355.438	1.055	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC3CCOCC3)C[C@@]2(C)C1	ZINC001091749561	952789300	/nfs/dbraw/zinc/78/93/00/952789300.db2.gz	NFGURCZKAZOOTN-DYXWJJEUSA-N	1	0	359.514	1.291	20	30		FDEDRO
COCCC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)ccc2C#N)CC1	ZINC001196702290	971870022	/nfs/dbraw/zinc/87/00/22/971870022.db2.gz	WENQDGUTLNHYLQ-UHFFFAOYSA-N	1	0	371.890	1.991	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccccc3OC)C2)C1=O	ZINC001086860208	952881617	/nfs/dbraw/zinc/88/16/17/952881617.db2.gz	OYLRLIGAKICOFQ-LZLYRXPVSA-N	1	0	371.481	1.970	20	30		FDEDRO
COc1c(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)cnn1C	ZINC001086863907	952889449	/nfs/dbraw/zinc/88/94/49/952889449.db2.gz	TUUCPLKUFHJRFD-DLBZAZTESA-N	1	0	367.453	1.989	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCc3ccnn3C)C2)nc1	ZINC001086857296	952904346	/nfs/dbraw/zinc/90/43/46/952904346.db2.gz	VGTRRARCNBDOOQ-DLBZAZTESA-N	1	0	351.454	1.527	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1	ZINC001086870054	952917726	/nfs/dbraw/zinc/91/77/26/952917726.db2.gz	LEPULFPSBWFVKW-NWDGAFQWSA-N	1	0	369.263	1.177	20	30		FDEDRO
CCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1	ZINC001086959688	952956260	/nfs/dbraw/zinc/95/62/60/952956260.db2.gz	PIXUTKLEMSWHHY-RBUKOAKNSA-N	1	0	367.453	1.817	20	30		FDEDRO
Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2c2cnn(C)c2)o1	ZINC001086971447	952974279	/nfs/dbraw/zinc/97/42/79/952974279.db2.gz	ODIZQDXOTWWYCR-KNXALSJPSA-N	1	0	356.430	1.269	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCc2ccns2)C1	ZINC001086971481	952974366	/nfs/dbraw/zinc/97/43/66/952974366.db2.gz	PKZWZHOWGYQSQD-VBNZEHGJSA-N	1	0	358.471	1.163	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]2NCC#N)cn1	ZINC001086979323	952992602	/nfs/dbraw/zinc/99/26/02/952992602.db2.gz	USEYFFHTFMUMGU-DLBZAZTESA-N	1	0	358.490	1.092	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2ccnc2CC)C[C@H]1c1cnn(C)c1	ZINC001086979781	952993470	/nfs/dbraw/zinc/99/34/70/952993470.db2.gz	RNBFUDWIUGVNRE-BPQIPLTHSA-N	1	0	370.501	1.900	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccn3c2CCCC3)C[C@H]1c1cnn(C)c1	ZINC001086982716	952995896	/nfs/dbraw/zinc/99/58/96/952995896.db2.gz	ZOBDJFQQDYITBH-ZWKOTPCHSA-N	1	0	351.454	1.389	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)c(F)cc2F)C[C@H]1c1cnn(C)c1	ZINC001086983753	952997506	/nfs/dbraw/zinc/99/75/06/952997506.db2.gz	GZISVDZSIRJEKO-MAUKXSAKSA-N	1	0	358.392	1.838	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccccc2OCC=C)C[C@H]1c1cnn(C)c1	ZINC001086985178	953001222	/nfs/dbraw/zinc/00/12/22/953001222.db2.gz	XICRUGNEILAKOP-RBUKOAKNSA-N	1	0	364.449	1.816	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc(C(C)C)n2)C[C@H]1c1cnn(C)c1	ZINC001086986504	953006942	/nfs/dbraw/zinc/00/69/42/953006942.db2.gz	SKCYWBHJXNYMAX-QFBILLFUSA-N	1	0	351.454	1.770	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC(C)(C)CO2)C[C@H]1c1cnn(C)c1	ZINC001086988467	953012112	/nfs/dbraw/zinc/01/21/12/953012112.db2.gz	YRJFFNLHSIKZNZ-FGTMMUONSA-N	1	0	358.486	1.533	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC(C)(C)CO2)C[C@H]1c1cnn(C)c1	ZINC001086988468	953012729	/nfs/dbraw/zinc/01/27/29/953012729.db2.gz	YRJFFNLHSIKZNZ-OKZBNKHCSA-N	1	0	358.486	1.533	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc3onc(C)c3c2)C[C@H]1c1cnn(C)c1	ZINC001086990440	953017832	/nfs/dbraw/zinc/01/78/32/953017832.db2.gz	CHQYJIXTGUTJCD-DLBZAZTESA-N	1	0	364.409	1.096	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccc3nonc3c2)C[C@H]1c1cnn(C)c1	ZINC001086994476	953025664	/nfs/dbraw/zinc/02/56/64/953025664.db2.gz	DGQNXZFSSAHQPD-MAUKXSAKSA-N	1	0	366.425	1.730	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC(F)(F)C2)C[C@H]1c1cnn(C)c1	ZINC001086996382	953036807	/nfs/dbraw/zinc/03/68/07/953036807.db2.gz	BLNHGCIMXWRBGQ-CWRNSKLLSA-N	1	0	350.413	1.763	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3ccncc3C2)C[C@H]1c1cnn(C)c1	ZINC001086996772	953038704	/nfs/dbraw/zinc/03/87/04/953038704.db2.gz	VAWLTKJRIGKZPX-LSTHTHJFSA-N	1	0	365.481	1.690	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCn2ccnc2C(C)C)C[C@H]1c1cnn(C)c1	ZINC001087000005	953048498	/nfs/dbraw/zinc/04/84/98/953048498.db2.gz	BKEXOMLNFYOBLF-ZWKOTPCHSA-N	1	0	368.485	1.348	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2cccs2)C[C@H]1c1cnn(C)c1	ZINC001086999972	953048919	/nfs/dbraw/zinc/04/89/19/953048919.db2.gz	AGJOPSGVCYFTIU-FHLIZLRMSA-N	1	0	356.495	1.878	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)C[C@H]1c1cnn(C)c1	ZINC001087000864	953052994	/nfs/dbraw/zinc/05/29/94/953052994.db2.gz	RPBZCLMQONFARO-WRTQPQOASA-N	1	0	360.461	1.523	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cc(F)ccc2OC)C[C@H]1c1cnn(C)c1	ZINC001087003187	953059112	/nfs/dbraw/zinc/05/91/12/953059112.db2.gz	JEPFMXBIBJJZTA-ZWKOTPCHSA-N	1	0	370.428	1.328	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cnn(C)c2)C[C@H]1c1cnn(C)c1	ZINC001087003700	953060379	/nfs/dbraw/zinc/06/03/79/953060379.db2.gz	KPUWHHQWTRRZTL-ZWKOTPCHSA-N	1	0	370.501	1.592	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C2(c3ccccc3F)CC2)C[C@H]1c1cnn(C)c1	ZINC001087004279	953061862	/nfs/dbraw/zinc/06/18/62/953061862.db2.gz	PHNPNKNSFHOLOJ-QFBILLFUSA-N	1	0	366.440	1.808	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc(OC(C)C)n2)C[C@H]1c1cnn(C)c1	ZINC001087004179	953061935	/nfs/dbraw/zinc/06/19/35/953061935.db2.gz	KCFLKUXEALVWFV-FUHWJXTLSA-N	1	0	367.453	1.433	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnn3c2CCCC3)C[C@H]1c1cnn(C)c1	ZINC001087004591	953062557	/nfs/dbraw/zinc/06/25/57/953062557.db2.gz	HJQYKUXFTHWANH-DLBZAZTESA-N	1	0	354.458	1.337	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2C(C)(C)C)C[C@H]1c1cnn(C)c1	ZINC001087005285	953064075	/nfs/dbraw/zinc/06/40/75/953064075.db2.gz	VOPGKFGDUUFGSK-JKSUJKDBSA-N	1	0	354.458	1.272	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2c(C)nn(CC)c2C)C[C@H]1c1cnn(C)c1	ZINC001087005512	953064840	/nfs/dbraw/zinc/06/48/40/953064840.db2.gz	HDGGQZNTUZXPKA-RBUKOAKNSA-N	1	0	370.501	1.566	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087022855	953071017	/nfs/dbraw/zinc/07/10/17/953071017.db2.gz	IUTOPZPMPXKABI-GUDVDZBRSA-N	1	0	357.454	1.690	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nn(C)c3ccccc32)C[C@H]1c1cnn(C)c1	ZINC001087006090	953089625	/nfs/dbraw/zinc/08/96/25/953089625.db2.gz	HSDNNDKCEMERKU-DLBZAZTESA-N	1	0	362.437	1.138	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCC)C1	ZINC001087007800	953093908	/nfs/dbraw/zinc/09/39/08/953093908.db2.gz	XDRPFJKANUQWRZ-VQTJNVASSA-N	1	0	350.466	1.938	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)N(C)CC3)C[C@H]1c1cnn(C)c1	ZINC001087007986	953094241	/nfs/dbraw/zinc/09/42/41/953094241.db2.gz	GPLVLOYYLJIVRN-RBUKOAKNSA-N	1	0	365.481	1.796	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2COc3ccccc3O2)C[C@H]1c1cnn(C)c1	ZINC001087008324	953095179	/nfs/dbraw/zinc/09/51/79/953095179.db2.gz	ZKHAZIBKNPBLNM-FRQCXROJSA-N	1	0	368.437	1.330	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2sc(CCC)nc2C)C[C@H]1c1cnn(C)c1	ZINC001087009416	953098081	/nfs/dbraw/zinc/09/80/81/953098081.db2.gz	FLJJCLUAFLJMTC-JKSUJKDBSA-N	1	0	371.510	1.969	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1cnn(C)c1	ZINC001087009782	953099188	/nfs/dbraw/zinc/09/91/88/953099188.db2.gz	YFXKETRJHPMPSL-VNQPRFMTSA-N	1	0	351.882	1.008	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(Cl)cn2CC)C[C@H]1c1cnn(C)c1	ZINC001087010064	953100548	/nfs/dbraw/zinc/10/05/48/953100548.db2.gz	JYNPYFCJBNBMTC-JKSUJKDBSA-N	1	0	359.861	1.726	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2c(C)nn(C)c2C)C[C@H]1c1cnn(C)c1	ZINC001087011607	953104434	/nfs/dbraw/zinc/10/44/34/953104434.db2.gz	GBRBMAPKMLMKSC-DOPJRALCSA-N	1	0	370.501	1.644	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COc3ccccc32)C[C@H]1c1cnn(C)c1	ZINC001087012282	953106546	/nfs/dbraw/zinc/10/65/46/953106546.db2.gz	OWVXNIUYSYFLHN-RCCFBDPRSA-N	1	0	350.422	1.114	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c3ccc(F)cc32)C[C@H]1c1cnn(C)c1	ZINC001087012818	953107812	/nfs/dbraw/zinc/10/78/12/953107812.db2.gz	QIZRLHMEIHXKEV-PKOBYXMFSA-N	1	0	365.412	1.872	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001087030203	953124094	/nfs/dbraw/zinc/12/40/94/953124094.db2.gz	AWBAHPXRYQQLEE-SJLPKXTDSA-N	1	0	371.416	1.687	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087044629	953168019	/nfs/dbraw/zinc/16/80/19/953168019.db2.gz	XAWXLIWDQTZYSS-IEBWSBKVSA-N	1	0	367.453	1.559	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](OC)C2CC2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087050135	953176813	/nfs/dbraw/zinc/17/68/13/953176813.db2.gz	MRISYNZXPZGJBP-VAMGGRTRSA-N	1	0	371.481	1.936	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2n[nH]cc2C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087053181	953185260	/nfs/dbraw/zinc/18/52/60/953185260.db2.gz	BDRUIRBWDISYJH-QZTJIDSGSA-N	1	0	367.453	1.857	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ncccn2)[C@H](OCC)C1	ZINC001087055044	953188584	/nfs/dbraw/zinc/18/85/84/953188584.db2.gz	ROMVXVINTOXSTO-ZJPYXAASSA-N	1	0	374.485	1.411	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]CC1CCOCC1	ZINC001087047070	953195591	/nfs/dbraw/zinc/19/55/91/953195591.db2.gz	QMZMGCSSYGNHAV-SJLPKXTDSA-N	1	0	360.458	1.380	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc([C@@H]3CCCO3)s2)C1	ZINC001196749251	971908102	/nfs/dbraw/zinc/90/81/02/971908102.db2.gz	ORNJSINNWNRPRV-MCIONIFRSA-N	1	0	351.472	1.736	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H]2CCCNC2=O)[C@H](OCC)C1	ZINC001087071530	953225981	/nfs/dbraw/zinc/22/59/81/953225981.db2.gz	UQTAQNSAKDCFNW-OWCLPIDISA-N	1	0	351.491	1.320	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087075726	953232068	/nfs/dbraw/zinc/23/20/68/953232068.db2.gz	XKXNLFBIDUJADP-OBKDMQGPSA-N	1	0	369.465	1.404	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ncccn2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087092804	953257631	/nfs/dbraw/zinc/25/76/31/953257631.db2.gz	FCKAONHGJZBIPJ-QZTJIDSGSA-N	1	0	365.437	1.615	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3cn4c(n3)C[C@@H](OC)CC4)C[C@]2(C)C1	ZINC001091780003	953355544	/nfs/dbraw/zinc/35/55/44/953355544.db2.gz	SHMQUUGKKOMIRB-GUXCAODWSA-N	1	0	358.486	1.814	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CCN1c1nccnc1C#N	ZINC001091832017	953375439	/nfs/dbraw/zinc/37/54/39/953375439.db2.gz	NVSZZXMXGNUEGS-HLLBOEOZSA-N	1	0	356.474	1.696	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)c3cnc4c(c3)NC(=O)CO4)C[C@]2(C)C1	ZINC001091824783	953493183	/nfs/dbraw/zinc/49/31/83/953493183.db2.gz	BSRBKDBNZGROLU-QRWLVFNGSA-N	1	0	370.453	1.773	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3COCCN3CC3CCC3)C[C@]2(C)C1	ZINC001091883831	953520648	/nfs/dbraw/zinc/52/06/48/953520648.db2.gz	YOWVIOFREPQURC-SBHAEUEKSA-N	1	0	359.514	1.291	20	30		FDEDRO
C[C@]12CN(C(=O)[C@]3(C)CNC(=O)C3)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001091876371	953646363	/nfs/dbraw/zinc/64/63/63/953646363.db2.gz	OIROCPWCQONVDJ-COPCDDAFSA-N	1	0	365.477	1.345	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@H+](CC(=O)N4CCCC4)C[C@@]3(C)C2)cc1	ZINC001091905418	953672140	/nfs/dbraw/zinc/67/21/40/953672140.db2.gz	DXCPUVNOLSPZPS-KNQAVFIVSA-N	1	0	365.477	1.684	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)C[C@]2(C)C1	ZINC001091893932	953730824	/nfs/dbraw/zinc/73/08/24/953730824.db2.gz	VJHSDRNVWPXSRN-KUHUBIRLSA-N	1	0	360.458	1.485	20	30		FDEDRO
C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)C2CCCCC2)C1	ZINC001196852043	971959718	/nfs/dbraw/zinc/95/97/18/971959718.db2.gz	AJJVPOFOFNHJHC-DJIMGWMZSA-N	1	0	351.491	1.056	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3C[N@H+](CC[C@H]4CCOC4)C[C@@]3(C)C2)c1	ZINC001091997409	953915400	/nfs/dbraw/zinc/91/54/00/953915400.db2.gz	CASSZAKFDCXQHT-DSKINZAPSA-N	1	0	353.466	1.883	20	30		FDEDRO
Cc1cc(N2CC[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)[C@H]2C)c(C#N)cn1	ZINC001091972539	953957754	/nfs/dbraw/zinc/95/77/54/953957754.db2.gz	ICXRNAFEPYSOQB-KYJSFNMBSA-N	1	0	371.485	1.313	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCn3nc(C)cc3C)C[C@@]2(C)C1	ZINC001092030079	954128478	/nfs/dbraw/zinc/12/84/78/954128478.db2.gz	QRQXXWMHXFIURN-BNDYYXHWSA-N	1	0	372.513	1.871	20	30		FDEDRO
C[C@H](COCC(=O)N[C@H]1CCN(c2ccc(C#N)nc2)[C@@H]1C)[NH+]1CCCC1	ZINC001092050922	954138748	/nfs/dbraw/zinc/13/87/48/954138748.db2.gz	GZTREQHWFJYHQI-MDZRGWNJSA-N	1	0	371.485	1.538	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@H]3C[N@@H+](Cc4cnoc4C)C[C@@]3(C)C2)nn1	ZINC001092085280	954236023	/nfs/dbraw/zinc/23/60/23/954236023.db2.gz	GFIMQPUOKVYABP-APWZRJJASA-N	1	0	370.457	1.745	20	30		FDEDRO
C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC(=O)N(C)[C@@H]3c3cccnc3)C[C@]2(C)C1	ZINC001092087511	954242749	/nfs/dbraw/zinc/24/27/49/954242749.db2.gz	GVCLCTJSVBBKHJ-FKPGQJDZSA-N	1	0	366.465	1.015	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc(N4CCCC4)nn3)C[C@]2(C)C1	ZINC001092189599	954492107	/nfs/dbraw/zinc/49/21/07/954492107.db2.gz	GDEFVJYVEFXJHT-UZLBHIALSA-N	1	0	353.470	1.494	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)CCC(C)C)C1	ZINC001196986108	972024626	/nfs/dbraw/zinc/02/46/26/972024626.db2.gz	XAJFCOGJNNIGIF-IAGOWNOFSA-N	1	0	353.507	1.447	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(Cc4ccn(C)n4)C[C@@]3(C)C2)CC1	ZINC001092300043	954747906	/nfs/dbraw/zinc/74/79/06/954747906.db2.gz	QLMMBSJTVZXTHQ-NQIIRXRSSA-N	1	0	369.513	1.046	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCN3CC(F)(F)F)C[C@]2(C)C1	ZINC001092302727	954759506	/nfs/dbraw/zinc/75/95/06/954759506.db2.gz	FKKUCCWZEONMHC-VYDXJSESSA-N	1	0	357.420	1.817	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccnc(-n4cncn4)c3)C[C@]2(C)C1	ZINC001092318482	954826247	/nfs/dbraw/zinc/82/62/47/954826247.db2.gz	AXIVQVOHIVEGOC-APWZRJJASA-N	1	0	352.442	1.632	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC2(C[NH+](CC3CC3)C2)n2ccnc21	ZINC001092402636	955020574	/nfs/dbraw/zinc/02/05/74/955020574.db2.gz	RTIMIIQZTAJEOY-ULQDDVLXSA-N	1	0	356.470	1.846	20	30		FDEDRO
C[C@@H](C(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C)[NH+]1CCCCCC1	ZINC001092404997	955025708	/nfs/dbraw/zinc/02/57/08/955025708.db2.gz	IJRYGSKHDPADSG-IXDOHACOSA-N	1	0	370.501	1.801	20	30		FDEDRO
C[C@H](C(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C)[NH+]1CCCCCC1	ZINC001092404996	955026047	/nfs/dbraw/zinc/02/60/47/955026047.db2.gz	IJRYGSKHDPADSG-BRWVUGGUSA-N	1	0	370.501	1.801	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C	ZINC001092411577	955139178	/nfs/dbraw/zinc/13/91/78/955139178.db2.gz	JTUUSSRUIFWHLA-RBSFLKMASA-N	1	0	362.453	1.217	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](CCNC(=O)[C@H]3CCC[N@@H+]3C)C2)n1	ZINC001092484072	955239076	/nfs/dbraw/zinc/23/90/76/955239076.db2.gz	AUDSKONIBWALDQ-FRFSOERESA-N	1	0	356.474	1.330	20	30		FDEDRO
Cc1nsc(N2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1C#N	ZINC001092519448	955307300	/nfs/dbraw/zinc/30/73/00/955307300.db2.gz	BTYSBEJFOXSRSM-BPLDGKMQSA-N	1	0	361.515	1.854	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CCNC(=O)[C@H](C1CC1)[NH+](C)C	ZINC001092549935	955395651	/nfs/dbraw/zinc/39/56/51/955395651.db2.gz	DXPFNXLILAMWSD-SIIHOXLZSA-N	1	0	356.474	1.267	20	30		FDEDRO
C[C@@H]1CN(c2ccncc2C#N)C[C@H]1CCNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001092531228	955490127	/nfs/dbraw/zinc/49/01/27/955490127.db2.gz	BADYBJXHSQTHFX-BRWVUGGUSA-N	1	0	355.486	1.874	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC001092532460	955499097	/nfs/dbraw/zinc/49/90/97/955499097.db2.gz	WELWKERCTWXEJU-BFYDXBDKSA-N	1	0	371.485	1.443	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)[C@@H]1CCNC(=O)C1	ZINC001092535882	955513013	/nfs/dbraw/zinc/51/30/13/955513013.db2.gz	AALYTWWAICUJIN-KBAYOESNSA-N	1	0	371.456	1.388	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)c3ccoc3CC)[C@H](C)C2)C1=O	ZINC001092578926	955709287	/nfs/dbraw/zinc/70/92/87/955709287.db2.gz	OMGKLYOWFSOECN-INMHGKMJSA-N	1	0	359.470	1.927	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1C	ZINC001092615342	955823757	/nfs/dbraw/zinc/82/37/57/955823757.db2.gz	FTKGJJALFUQXHN-OWYHZJEWSA-N	1	0	373.497	1.551	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)c2coc(S(C)(=O)=O)c2)[C@H](C)C1	ZINC001092623111	955865008	/nfs/dbraw/zinc/86/50/08/955865008.db2.gz	NRQHPJFWYAUWSJ-UKRRQHHQSA-N	1	0	354.472	1.947	20	30		FDEDRO
CCN1C[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)CC1=O	ZINC001092654833	955906643	/nfs/dbraw/zinc/90/66/43/955906643.db2.gz	GBNDKNWAFRJZDG-AYOQOUSVSA-N	1	0	368.481	1.611	20	30		FDEDRO
CC[C@@H](C(=O)N1C[C@@H](CNc2ccc(C#N)nn2)[C@H](C)C1)[NH+](CC)CC	ZINC001092675157	955983932	/nfs/dbraw/zinc/98/39/32/955983932.db2.gz	WXNCOSLLXJHXBS-INMHGKMJSA-N	1	0	358.490	1.975	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CC2)C[C@H]1C	ZINC001092676976	955991737	/nfs/dbraw/zinc/99/17/37/955991737.db2.gz	RVDXULZSABNHOV-OWCLPIDISA-N	1	0	358.486	1.639	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1CCCNC1=O	ZINC001092699126	956080352	/nfs/dbraw/zinc/08/03/52/956080352.db2.gz	DPMXYQOAIUPZNE-BHIYHBOVSA-N	1	0	353.466	1.248	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)NC[C@]23CCC[C@H]2N(c2cncc(C#N)n2)CC3)C1	ZINC001092702189	956097821	/nfs/dbraw/zinc/09/78/21/956097821.db2.gz	XLFVPJYCBHZJSZ-WRWLIDTKSA-N	1	0	368.485	1.555	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCN2c2ncccn2)[C@H](C)C1	ZINC001092690285	956201268	/nfs/dbraw/zinc/20/12/68/956201268.db2.gz	FIFVMMHSVILMFO-BMFZPTHFSA-N	1	0	363.893	1.882	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)[C@H]1OCCO[C@H]1C	ZINC001092691697	956206275	/nfs/dbraw/zinc/20/62/75/956206275.db2.gz	ZWUNBVFZLWFHCR-OEUWWYETSA-N	1	0	363.483	1.608	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)[C@H]1OCCO[C@H]1C	ZINC001092691651	956206876	/nfs/dbraw/zinc/20/68/76/956206876.db2.gz	WZGXMJXFRSJWNX-HNAWSFBYSA-N	1	0	374.456	1.665	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)c1cncn1C	ZINC001092788200	956323812	/nfs/dbraw/zinc/32/38/12/956323812.db2.gz	LRXHGXQHKPQQNN-NVXWUHKLSA-N	1	0	354.429	1.909	20	30		FDEDRO
C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2ccc(=O)n(CCOC)c2)[C@H](C)C1	ZINC001092770081	956393273	/nfs/dbraw/zinc/39/32/73/956393273.db2.gz	NGEHEUQQTBYXTK-CZUORRHYSA-N	1	0	367.877	1.545	20	30		FDEDRO
Cc1nc(N2CCO[C@@](C)(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)ccc1C#N	ZINC001092777610	956416182	/nfs/dbraw/zinc/41/61/82/956416182.db2.gz	QFEIQWZYGRBOLG-MDYRTPRTSA-N	1	0	371.485	1.313	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N)[NH+]1CCCC1	ZINC001092850741	956452486	/nfs/dbraw/zinc/45/24/86/956452486.db2.gz	YDNLNGCIQQPCHH-MXSMSXNCSA-N	1	0	368.485	1.695	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)[C@H]1CCC(=O)N1C	ZINC001092907285	956740465	/nfs/dbraw/zinc/74/04/65/956740465.db2.gz	BXAUSUFGCQIJOM-XJKCOSOUSA-N	1	0	360.483	1.425	20	30		FDEDRO
Cc1cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C3)c(C#N)cn1	ZINC001092908047	956743609	/nfs/dbraw/zinc/74/36/09/956743609.db2.gz	DFRICLFJEYTXRY-IKGGRYGDSA-N	1	0	353.470	1.829	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@@H]1CCC(=O)N1C	ZINC001092892937	956811039	/nfs/dbraw/zinc/81/10/39/956811039.db2.gz	JPKUPGPYZFKCLF-OLMNPRSZSA-N	1	0	354.454	1.363	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[N@H+](Cc3ccnc(OC)n3)C[C@H]2C)c1	ZINC001092952882	956887909	/nfs/dbraw/zinc/88/79/09/956887909.db2.gz	UCXQXNWESCEKQR-RHSMWYFYSA-N	1	0	365.437	1.359	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3c(C)noc3C)C[C@H]2C)nn1	ZINC001093035263	957253409	/nfs/dbraw/zinc/25/34/09/957253409.db2.gz	VHAKFRHWRJQYEV-IUODEOHRSA-N	1	0	358.446	1.567	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C)nn1	ZINC001093035975	957255850	/nfs/dbraw/zinc/25/58/50/957255850.db2.gz	ZLNHXIZOKBMSKL-HZPDHXFCSA-N	1	0	354.458	1.747	20	30		FDEDRO
Cc1ccc(C#N)c(N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(C[NH+](C)C)CC2)C3)n1	ZINC001093037165	957258108	/nfs/dbraw/zinc/25/81/08/957258108.db2.gz	AHFFXPXUEIJQIS-ZACQAIPSSA-N	1	0	353.470	1.829	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H]3CCC[C@]3(NC(=O)CCCC[NH+](C)C)C2)n1	ZINC001093090443	957523950	/nfs/dbraw/zinc/52/39/50/957523950.db2.gz	FIZKWKSAKJSEHG-JXFKEZNVSA-N	1	0	370.501	1.864	20	30		FDEDRO
CC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C	ZINC001093143792	957644285	/nfs/dbraw/zinc/64/42/85/957644285.db2.gz	BMQVHADELKGYHG-YSGRDPCXSA-N	1	0	368.481	1.753	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N2C[C@@H]3CCC[C@]3(CNc3ccnc(C#N)n3)C2)CC1	ZINC001093128737	957665887	/nfs/dbraw/zinc/66/58/87/957665887.db2.gz	UEDNYNRRKNQTQV-YWZLYKJASA-N	1	0	368.485	1.153	20	30		FDEDRO
CC(=O)N1CC[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2C)C1	ZINC001093164180	957714474	/nfs/dbraw/zinc/71/44/74/957714474.db2.gz	UGEXUUJQMISDMJ-UIAACRFSSA-N	1	0	368.481	1.611	20	30		FDEDRO
C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2ccc(=O)n(CCC)n2)[C@H](C)C1	ZINC001093187804	957808569	/nfs/dbraw/zinc/80/85/69/957808569.db2.gz	LZECJMARJLVADB-TZMCWYRMSA-N	1	0	352.866	1.704	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(C)c3N)[C@@H]2C(C)C)C[C@H]1O	ZINC001093441576	958077593	/nfs/dbraw/zinc/07/75/93/958077593.db2.gz	BXQJCMVDYKTIRG-NNFUDEMPSA-N	1	0	361.490	1.158	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cncnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093441754	958079144	/nfs/dbraw/zinc/07/91/44/958079144.db2.gz	ANFHMCAFXDUGOL-HNBVOPMISA-N	1	0	358.486	1.561	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnn3C(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001093449180	958114667	/nfs/dbraw/zinc/11/46/67/958114667.db2.gz	NKSFGRZPTZAKTQ-PHXBYCTMSA-N	1	0	358.486	1.677	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cnn(C)c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093449229	958114924	/nfs/dbraw/zinc/11/49/24/958114924.db2.gz	NVNVSNCLZOXSNU-HNBVOPMISA-N	1	0	360.502	1.423	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COc3cc(C)on3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093449401	958115959	/nfs/dbraw/zinc/11/59/59/958115959.db2.gz	GOXAJHKNQUQMNN-RGCFKVTRSA-N	1	0	363.458	1.514	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc4c[nH]ccc-4n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093449437	958116362	/nfs/dbraw/zinc/11/63/62/958116362.db2.gz	GWYKGFJJSWTTIG-WERVVEIQSA-N	1	0	366.465	1.776	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccn(C(F)F)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093450449	958123669	/nfs/dbraw/zinc/12/36/69/958123669.db2.gz	VDQBXGICWKWNJG-ATNYBXOESA-N	1	0	366.412	1.491	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc4n[nH]cc4c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093451580	958134125	/nfs/dbraw/zinc/13/41/25/958134125.db2.gz	VWKWTSKOKXDULI-PDOICOKGSA-N	1	0	367.453	1.171	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccc(F)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093451691	958134415	/nfs/dbraw/zinc/13/44/15/958134415.db2.gz	WSFYDKHEPPIXBG-IZBJGVDFSA-N	1	0	361.461	1.915	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(c4cccnc4)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093459971	958185981	/nfs/dbraw/zinc/18/59/81/958185981.db2.gz	OGAINVMVELMQRW-XCJLJZCSSA-N	1	0	367.493	1.713	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)C(C)(C)[NH+]2CCCC2)C[C@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001093460064	958186082	/nfs/dbraw/zinc/18/60/82/958186082.db2.gz	OVEKNVHNURPUEX-VIPLHTEESA-N	1	0	362.518	1.350	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(OCC)no3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093460017	958186441	/nfs/dbraw/zinc/18/64/41/958186441.db2.gz	XJQCMUVLKOKPKV-BCXHYRKLSA-N	1	0	363.458	1.839	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3ccc(=O)[nH]c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093460228	958187523	/nfs/dbraw/zinc/18/75/23/958187523.db2.gz	QWAAIXVDPTZUQS-DEPWHIHDSA-N	1	0	371.481	1.319	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3ccc(=O)[nH]c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093460233	958189113	/nfs/dbraw/zinc/18/91/13/958189113.db2.gz	QWAAIXVDPTZUQS-SGLNWRHMSA-N	1	0	371.481	1.319	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccnc3OC)[C@H]2C(C)C)C[C@H]1O	ZINC001093462198	958193826	/nfs/dbraw/zinc/19/38/26/958193826.db2.gz	NSJILLNOKLVDAK-WWNBULGVSA-N	1	0	357.454	1.303	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093464933	958201437	/nfs/dbraw/zinc/20/14/37/958201437.db2.gz	DSUZNHGPEKJRMD-KONPQCLYSA-N	1	0	364.877	1.809	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc(C)nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093465848	958206451	/nfs/dbraw/zinc/20/64/51/958206451.db2.gz	JUFUHDWMNYOQLN-XSYGEPLQSA-N	1	0	356.470	1.306	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(CC)c[nH]c3=O)[C@H]2C(C)C)C[C@H]1O	ZINC001093468662	958220975	/nfs/dbraw/zinc/22/09/75/958220975.db2.gz	AUJOJVULZPDFID-DCXXXQMHSA-N	1	0	371.481	1.563	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(C(F)F)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093469922	958224241	/nfs/dbraw/zinc/22/42/41/958224241.db2.gz	NKQRLJNLPSCYKS-ATNYBXOESA-N	1	0	366.412	1.491	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COc3ccccc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093473427	958244436	/nfs/dbraw/zinc/24/44/36/958244436.db2.gz	NWJMBDLKUILIBH-VURPSTOHSA-N	1	0	356.466	1.665	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COc3ccsc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093475613	958253252	/nfs/dbraw/zinc/25/32/52/958253252.db2.gz	YXILKHOYZNSADL-PSBWJHGTSA-N	1	0	362.495	1.726	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CN3CCCCC3=O)[C@H]2C(C)C)C[C@H]1O	ZINC001093454585	958267873	/nfs/dbraw/zinc/26/78/73/958267873.db2.gz	BCWNRJUGDMPAKG-YAJHFMINSA-N	1	0	363.502	1.151	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3nc(C)cc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093456435	958277293	/nfs/dbraw/zinc/27/72/93/958277293.db2.gz	CVKMPPGYOUDOOO-JYBIWHBTSA-N	1	0	358.486	1.099	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(c4cc(C)no4)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093458283	958283681	/nfs/dbraw/zinc/28/36/81/958283681.db2.gz	BWTZJFKEMWJJCU-HBXLWWENSA-N	1	0	371.481	1.614	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3csc(=O)[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093458511	958283960	/nfs/dbraw/zinc/28/39/60/958283960.db2.gz	DNQSGRIHCGWVNF-LSCFUAHRSA-N	1	0	351.472	1.614	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3ccccc3=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001093479049	958297312	/nfs/dbraw/zinc/29/73/12/958297312.db2.gz	SZHANIFNRQDRTK-XNFNUYLZSA-N	1	0	359.470	1.000	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(N(C)C)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093481788	958307290	/nfs/dbraw/zinc/30/72/90/958307290.db2.gz	YACXRVAYXRVSSU-XCJLJZCSSA-N	1	0	370.497	1.361	20	30		FDEDRO
C=CCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@]23C[C@H]2COC3)CC1	ZINC001093487744	958310180	/nfs/dbraw/zinc/31/01/80/958310180.db2.gz	MNFWAAGVLZPQHN-ROPHOZQPSA-N	1	0	359.514	1.739	20	30		FDEDRO
C#CCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1	ZINC001093489937	958312145	/nfs/dbraw/zinc/31/21/45/958312145.db2.gz	MHMAEZLRQSYTJP-XNTOXWQXSA-N	1	0	371.525	1.717	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3scnc3C)C[C@H]2C)C1=O	ZINC001093652831	958438934	/nfs/dbraw/zinc/43/89/34/958438934.db2.gz	RNGXHGGKBFXFQB-BPLDGKMQSA-N	1	0	362.499	1.536	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001093684711	958496379	/nfs/dbraw/zinc/49/63/79/958496379.db2.gz	IKCDWEIGUSVDPA-CZUORRHYSA-N	1	0	355.417	1.847	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001093675782	958525648	/nfs/dbraw/zinc/52/56/48/958525648.db2.gz	XAPTYAGRRJJHSP-SRCQZFHVSA-N	1	0	358.417	1.160	20	30		FDEDRO
CC(C)n1cc(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)nn1	ZINC001093725982	958610647	/nfs/dbraw/zinc/61/06/47/958610647.db2.gz	MBFRCWMBABJQCO-UKRRQHHQSA-N	1	0	355.446	1.557	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1nc(C2CC2)no1	ZINC001093726240	958612233	/nfs/dbraw/zinc/61/22/33/958612233.db2.gz	SPMODIJAJDYDJY-BXUZGUMPSA-N	1	0	354.414	1.645	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2COCCN2C)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093728116	958617314	/nfs/dbraw/zinc/61/73/14/958617314.db2.gz	COFXWOKBFLYYSY-LZQZEXGQSA-N	1	0	356.470	1.073	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001093739649	958653404	/nfs/dbraw/zinc/65/34/04/958653404.db2.gz	VLOLGXGSMHDOEF-RHSMWYFYSA-N	1	0	370.432	1.563	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093765177	958709431	/nfs/dbraw/zinc/70/94/31/958709431.db2.gz	ZOTJENLUBYDYML-CRAIPNDOSA-N	1	0	351.454	1.719	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cc(C)ncn2)[C@H](C)C1	ZINC001093778882	958875640	/nfs/dbraw/zinc/87/56/40/958875640.db2.gz	NQXBDJMFVWGWDZ-OPNNQBFTSA-N	1	0	358.486	1.950	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]Cc2ccnc(OC)n2)[C@H](C)C1	ZINC001093824990	958904494	/nfs/dbraw/zinc/90/44/94/958904494.db2.gz	YDBHHLHACVNRAF-HZPDHXFCSA-N	1	0	369.469	1.971	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nc(C)cs2)[C@H](C)C1	ZINC001093833069	958927209	/nfs/dbraw/zinc/92/72/09/958927209.db2.gz	PRSPENZNJBGLLI-OIISXLGYSA-N	1	0	360.527	1.733	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001093838894	958946553	/nfs/dbraw/zinc/94/65/53/958946553.db2.gz	OSSSTNJJCBAHLJ-IUODEOHRSA-N	1	0	360.433	1.393	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093839158	958947623	/nfs/dbraw/zinc/94/76/23/958947623.db2.gz	ALWRXZQKKQAPKB-IOASZLSFSA-N	1	0	360.483	1.330	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C[NH2+]Cc2nncn2C)[C@H](C)C1	ZINC001093870112	959055218	/nfs/dbraw/zinc/05/52/18/959055218.db2.gz	KYDCARKZXUYAOC-HZPDHXFCSA-N	1	0	369.469	1.878	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3sc(C)nc32)C1	ZINC001197742318	972405566	/nfs/dbraw/zinc/40/55/66/972405566.db2.gz	CMDOSRZMFMOTTN-RRFJBIMHSA-N	1	0	365.499	1.235	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]C[C@@H]3CCNC(=O)CC3)[C@H](C)C2)cc1	ZINC001093957046	959349316	/nfs/dbraw/zinc/34/93/16/959349316.db2.gz	LIARNMMEARIESK-IMFGXOCKSA-N	1	0	367.493	1.882	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093987860	959432028	/nfs/dbraw/zinc/43/20/28/959432028.db2.gz	FALOOEWBRKISRV-ZTFGCOKTSA-N	1	0	354.454	1.363	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C3(C(F)F)CCC3)C[C@H]2C)C1=O	ZINC001093991377	959443703	/nfs/dbraw/zinc/44/37/03/959443703.db2.gz	SUXWSYUTIWTFFR-KFWWJZLASA-N	1	0	369.456	1.893	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001093999948	959483840	/nfs/dbraw/zinc/48/38/40/959483840.db2.gz	PWJGBWMZPOBXOG-IUODEOHRSA-N	1	0	369.400	1.279	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001094008303	959503405	/nfs/dbraw/zinc/50/34/05/959503405.db2.gz	MRLJFJDTQLLLKN-IUODEOHRSA-N	1	0	358.417	1.147	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C(N)=O)co2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001094033048	959564073	/nfs/dbraw/zinc/56/40/73/959564073.db2.gz	YHMGZUYFWXGUBF-CXAGYDPISA-N	1	0	366.421	1.748	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001094048000	959616397	/nfs/dbraw/zinc/61/63/97/959616397.db2.gz	HRWOAKTUJMWWDA-AXUOBQJMSA-N	1	0	368.481	1.467	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCOCCOCC)C1	ZINC001197792997	972443822	/nfs/dbraw/zinc/44/38/22/972443822.db2.gz	VNUNZGBEJDDZOG-QZTJIDSGSA-N	1	0	358.523	1.951	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001094055541	959647377	/nfs/dbraw/zinc/64/73/77/959647377.db2.gz	XDKXTZZCEFUINA-RHSMWYFYSA-N	1	0	352.442	1.493	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C)nc3C)[C@H](C)C2)nn1	ZINC001094095446	959772465	/nfs/dbraw/zinc/77/24/65/959772465.db2.gz	QWAXSEIVJFONNJ-RDTXWAMCSA-N	1	0	368.485	1.974	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnn(C)c2)[C@H](C)C1	ZINC001094099507	959782082	/nfs/dbraw/zinc/78/20/82/959782082.db2.gz	FPIUYRZUTJQHKG-YSHGAJCASA-N	1	0	360.502	1.976	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C3(C)CCOCC3)C[C@H]2C)C1=O	ZINC001094113855	959802327	/nfs/dbraw/zinc/80/23/27/959802327.db2.gz	GQGLBDWJFGQWMX-ZACQAIPSSA-N	1	0	363.502	1.274	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3ccncn3)C[C@H]2C)cc1C#N	ZINC001094119027	959815312	/nfs/dbraw/zinc/81/53/12/959815312.db2.gz	GDBFFCGQRGHPEN-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3cc4c([nH]3)CCC4)C[C@H]2C)C1=O	ZINC001094160154	959935004	/nfs/dbraw/zinc/93/50/04/959935004.db2.gz	ZLHIKJKXDVEQEA-KYJSFNMBSA-N	1	0	370.497	1.588	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ncnn3CCF)[C@H](C)C2)nc1	ZINC001094172804	959971487	/nfs/dbraw/zinc/97/14/87/959971487.db2.gz	YZARHRNQEHJHDQ-GDBMZVCRSA-N	1	0	370.432	1.122	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]Cc2nncs2)[C@H](C)C1	ZINC001094173864	959973805	/nfs/dbraw/zinc/97/38/05/959973805.db2.gz	BXOFAHPRYCVUOG-ZIAGYGMSSA-N	1	0	371.466	1.443	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]Cc2nc(C)no2)[C@H](C)C1	ZINC001094174208	959976322	/nfs/dbraw/zinc/97/63/22/959976322.db2.gz	YRFTZHFRRGZINV-UKRRQHHQSA-N	1	0	369.425	1.283	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(OC)nn3)[C@H](C)C2)cn1	ZINC001094174741	959978390	/nfs/dbraw/zinc/97/83/90/959978390.db2.gz	RNMDJORDZNPLMS-GDBMZVCRSA-N	1	0	365.437	1.359	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cc(OC)ccn3)[C@H](C)C2)cn1	ZINC001094174692	959978801	/nfs/dbraw/zinc/97/88/01/959978801.db2.gz	PKTHKNYXBBXDOF-NVXWUHKLSA-N	1	0	364.449	1.964	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nnc(CC)o3)[C@H](C)C2)cn1	ZINC001094174769	959980028	/nfs/dbraw/zinc/98/00/28/959980028.db2.gz	SNUMDYUTGBEFNJ-UKRRQHHQSA-N	1	0	353.426	1.506	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H]3CCN(C(C)C)C3=O)[C@H](C)C2)cn1	ZINC001094176432	959982070	/nfs/dbraw/zinc/98/20/70/959982070.db2.gz	KLEZRMGDZSSZEE-SUMDDJOVSA-N	1	0	368.481	1.370	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001094215259	960022413	/nfs/dbraw/zinc/02/24/13/960022413.db2.gz	WDMZYJSPBHDNRH-VQIMIIECSA-N	1	0	364.449	1.604	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)COc3ccccc3)C[C@H]2C)C1=O	ZINC001094184361	960062054	/nfs/dbraw/zinc/06/20/54/960062054.db2.gz	VMRKFSDYXOLEMR-LMMKCTJWSA-N	1	0	371.481	1.536	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2nnnn2C)[C@H](C)C1	ZINC001094188318	960069218	/nfs/dbraw/zinc/06/92/18/960069218.db2.gz	OFKKDZGFHPTJKC-RVKKMQEKSA-N	1	0	366.469	1.179	20	30		FDEDRO
C=C[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2cn(C)nn2)[C@H](C)C1)c1ccccc1	ZINC001094236859	960148607	/nfs/dbraw/zinc/14/86/07/960148607.db2.gz	TYYDPURGHAJNSV-SZVBFZGTSA-N	1	0	353.470	1.969	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3cncnc3CC)C[C@H]2C)C1=O	ZINC001094226098	960202814	/nfs/dbraw/zinc/20/28/14/960202814.db2.gz	PYAOCMSBPFCDSU-RKVPGOIHSA-N	1	0	371.485	1.124	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@]3(CNC(=O)c4ccccn4)CCC[C@@H]23)C1=O	ZINC001094348722	960278565	/nfs/dbraw/zinc/27/85/65/960278565.db2.gz	WXEKLMWCKXCZQE-DBXWQHBBSA-N	1	0	368.481	1.843	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@](C)(O)C=C)C2	ZINC001110495827	972492199	/nfs/dbraw/zinc/49/21/99/972492199.db2.gz	KNTGINVBVMPARS-WWNBULGVSA-N	1	0	361.486	1.236	20	30		FDEDRO
Cn1cc(C[N@@H+]2CC[C@@]3(CNC(=O)c4cc(C#N)c[nH]4)CCC[C@@H]23)cn1	ZINC001094387375	960333244	/nfs/dbraw/zinc/33/32/44/960333244.db2.gz	NVLZWCLAGGKCBL-IEBWSBKVSA-N	1	0	352.442	1.794	20	30		FDEDRO
C#C[C@H](NC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1)[C@@H]1CCCO1	ZINC000773289337	960459729	/nfs/dbraw/zinc/45/97/29/960459729.db2.gz	DARPWLGOLUUQDP-ROUUACIJSA-N	1	0	363.502	1.890	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nocc1C)CC2	ZINC001094436440	960479467	/nfs/dbraw/zinc/47/94/67/960479467.db2.gz	SPUQMQLGZGEODI-QKNQBKEWSA-N	1	0	370.497	1.941	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)CCC[C@@H]12	ZINC001094446286	960515828	/nfs/dbraw/zinc/51/58/28/960515828.db2.gz	VZAJHTXODWNHBH-PNBKFKSVSA-N	1	0	374.403	1.717	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3c(C)c(C)nn(C)c3=O)CCC[C@@H]12	ZINC001094485129	960572586	/nfs/dbraw/zinc/57/25/86/960572586.db2.gz	NXHDMYBSVMYHDW-OXQOHEQNSA-N	1	0	356.470	1.395	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3[nH]ncc3Br)CCC[C@@H]12	ZINC001094538297	960768018	/nfs/dbraw/zinc/76/80/18/960768018.db2.gz	WGBFFAGLXFXESG-IUODEOHRSA-N	1	0	351.248	1.780	20	30		FDEDRO
C#C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C)[C@@H]1CCCO1	ZINC000773298045	960790911	/nfs/dbraw/zinc/79/09/11/960790911.db2.gz	KXERGYUCQVTORB-XDNAFOTISA-N	1	0	351.491	1.603	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(CNC(N)=O)cc3)CCC[C@@H]12	ZINC001094575390	960855313	/nfs/dbraw/zinc/85/53/13/960855313.db2.gz	NQZXFGDACNCMOM-YLJYHZDGSA-N	1	0	354.454	1.463	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2ccn(C)n2)C1	ZINC001181525993	960906249	/nfs/dbraw/zinc/90/62/49/960906249.db2.gz	ZNSNJPYNIRRKQR-PHXBYCTMSA-N	1	0	360.502	1.976	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cn(C4CCOCC4)nn3)CCC[C@@H]12	ZINC001094557233	960910674	/nfs/dbraw/zinc/91/06/74/960910674.db2.gz	NMJCXBNHDBUPFJ-IEBWSBKVSA-N	1	0	357.458	1.237	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1	ZINC000954044738	1013220660	/nfs/dbraw/zinc/22/06/60/1013220660.db2.gz	ONOKNRGLLLFGTQ-YRXWBPOGSA-N	1	0	373.497	1.101	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC(=O)N(C2C[NH+](CC(CC)CC)C2)C1	ZINC001094788296	961165932	/nfs/dbraw/zinc/16/59/32/961165932.db2.gz	PKWNFDAOQKDLGW-JQHSSLGASA-N	1	0	363.502	1.415	20	30		FDEDRO
C=CCOCc1nn([C@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)c2c1C[NH2+]C2	ZINC001171707431	961253285	/nfs/dbraw/zinc/25/32/85/961253285.db2.gz	WRNNESNJBXNNNE-LBPRGKRZSA-N	1	0	362.430	1.897	20	30		FDEDRO
C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C[C@H]1C	ZINC001181914879	961259256	/nfs/dbraw/zinc/25/92/56/961259256.db2.gz	XKXWUOKZCAYTEZ-HGTKMLMNSA-N	1	0	362.392	1.430	20	30		FDEDRO
C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)C1	ZINC001171721509	961269352	/nfs/dbraw/zinc/26/93/52/961269352.db2.gz	RAPGBIMMTWZLKH-ZIAGYGMSSA-N	1	0	367.446	1.899	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1	ZINC001181997389	961321561	/nfs/dbraw/zinc/32/15/61/961321561.db2.gz	YXQWRNJMZVXZDA-HUUCEWRRSA-N	1	0	350.463	1.832	20	30		FDEDRO
CC(C)(C)OC(=O)[C@@]12COC[C@@H]1C[N@H+](C[C@H](O)c1ccc(C#N)cc1)C2	ZINC001171861730	961333519	/nfs/dbraw/zinc/33/35/19/961333519.db2.gz	FCGXKWNBFUAXSW-ZWOKBUDYSA-N	1	0	358.438	1.882	20	30		FDEDRO
C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](C3C[C@@H]4COC[C@H](C3)N4C)C2)C1	ZINC001172136111	961477076	/nfs/dbraw/zinc/47/70/76/961477076.db2.gz	XQKALFBLDMDNJS-AQDPXUSMSA-N	1	0	363.502	1.959	20	30		FDEDRO
CC(=O)N[C@H](CCO)C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1	ZINC001182144999	961494034	/nfs/dbraw/zinc/49/40/34/961494034.db2.gz	AXDMDYHFVQLWAZ-GUDVDZBRSA-N	1	0	372.469	1.044	20	30		FDEDRO
C=CCOC[C@H]1c2nnn(C)c2CCN1C1CC[NH+](CCCOC)CC1	ZINC001172251872	961600654	/nfs/dbraw/zinc/60/06/54/961600654.db2.gz	XNYBPAYYVXSOIY-SFHVURJKSA-N	1	0	363.506	1.418	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC(N2CCS(=O)(=O)CC2)CC1	ZINC001172318817	961620162	/nfs/dbraw/zinc/62/01/62/961620162.db2.gz	JIDOJCHUYRSNSR-MRXNPFEDSA-N	1	0	361.511	1.684	20	30		FDEDRO
C[C@H](CCCC#N)[N@H+]1CCc2ncc(CNC(=O)c3cnn(C)c3)n2CC1	ZINC001172498493	961688536	/nfs/dbraw/zinc/68/85/36/961688536.db2.gz	LTYFIQBWQVZRIV-OAHLLOKOSA-N	1	0	369.473	1.487	20	30		FDEDRO
C=CC[NH+](CC=C)CCN1CC[NH+](C2CCN(C(=O)OC)CC2)CC1	ZINC001172740002	961768601	/nfs/dbraw/zinc/76/86/01/961768601.db2.gz	VDCXLBMALPLBRF-UHFFFAOYSA-N	1	0	350.507	1.509	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CCN(c3ncccn3)C2)C[C@H]1C#N	ZINC001172968199	961853804	/nfs/dbraw/zinc/85/38/04/961853804.db2.gz	OTJXERNNQIMALC-JYJNAYRXSA-N	1	0	372.473	1.937	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCN(c3ncccn3)C2)C[C@H]1C#N	ZINC001172968204	961854177	/nfs/dbraw/zinc/85/41/77/961854177.db2.gz	OTJXERNNQIMALC-XHSDSOJGSA-N	1	0	372.473	1.937	20	30		FDEDRO
COC(=O)[C@@H](CCC[NH3+])N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1	ZINC001172969836	961856507	/nfs/dbraw/zinc/85/65/07/961856507.db2.gz	YQGJHGLZLNBMIT-HZSPNIEDSA-N	1	0	354.451	1.148	20	30		FDEDRO
CN1CCC(CO)([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1	ZINC001172977878	961859661	/nfs/dbraw/zinc/85/96/61/961859661.db2.gz	GQHQCSDOTKZEDW-GJZGRUSLSA-N	1	0	352.479	1.324	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)[C@](C)(CO)C2)C[C@H]1C#N	ZINC001172979837	961861954	/nfs/dbraw/zinc/86/19/54/961861954.db2.gz	IDAYHSCPQGLMOV-XSWJXKHESA-N	1	0	353.463	1.343	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H](N2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H]1C#N	ZINC001172979535	961862403	/nfs/dbraw/zinc/86/24/03/961862403.db2.gz	FLSUYFUXSZWQQC-BBWFWOEESA-N	1	0	364.490	1.685	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCN2CCC[C@@H](O)C2)C[C@H]1C#N	ZINC001172982691	961865814	/nfs/dbraw/zinc/86/58/14/961865814.db2.gz	FRDGOZRISQHHLA-OWCLPIDISA-N	1	0	352.479	1.324	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC(C)(C(N)=O)CC2)C[C@H]1C#N	ZINC001172983475	961866349	/nfs/dbraw/zinc/86/63/49/961866349.db2.gz	GGJNNYJAMSDWCN-KBPBESRZSA-N	1	0	350.463	1.865	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([N@@H+]3CCC(=O)N4CCC[C@@H]4C3)CC2)cc1	ZINC001173436556	962104232	/nfs/dbraw/zinc/10/42/32/962104232.db2.gz	XGLJKJWUGJSYJZ-LJQANCHMSA-N	1	0	366.465	1.860	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([N@@H+]3CCO[C@@H]4C[C@H](CO)C[C@@H]43)CC2)cc1	ZINC001173429596	962143737	/nfs/dbraw/zinc/14/37/37/962143737.db2.gz	ABMWZRLHVJUPJR-LSTHTHJFSA-N	1	0	369.465	1.635	20	30		FDEDRO
C[NH+](C)C[C@@H]1CN(C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CCO1	ZINC001173430802	962148360	/nfs/dbraw/zinc/14/83/60/962148360.db2.gz	ZQSVQINUKACSBS-LJQANCHMSA-N	1	0	356.470	1.425	20	30		FDEDRO
N#CCCN1CC[NH+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1	ZINC001173432212	962150846	/nfs/dbraw/zinc/15/08/46/962150846.db2.gz	VFOHKOWNSJRGAO-UHFFFAOYSA-N	1	0	351.454	1.694	20	30		FDEDRO
N#CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccn[nH]2)C3)cc1	ZINC001095196308	962218850	/nfs/dbraw/zinc/21/88/50/962218850.db2.gz	LMXZPACMCNQILT-JLSDUUJJSA-N	1	0	351.410	1.847	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NCC2CC2)C1	ZINC001182684726	962432487	/nfs/dbraw/zinc/43/24/87/962432487.db2.gz	KWCGOYCVQIBKNK-DFYYWFRZSA-N	1	0	363.502	1.178	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)N(CC)CC)C1	ZINC001182685484	962435325	/nfs/dbraw/zinc/43/53/25/962435325.db2.gz	VCRCBHQOOZTGQL-PDOICOKGSA-N	1	0	365.518	1.520	20	30		FDEDRO
CS(=O)(=O)N(CC[NH3+])C(=O)C[C@H](C#N)c1c(Cl)cccc1Cl	ZINC001183092202	962779976	/nfs/dbraw/zinc/77/99/76/962779976.db2.gz	VGDVHVKVTBQLLD-SECBINFHSA-N	1	0	364.254	1.738	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1	ZINC001183361017	962985311	/nfs/dbraw/zinc/98/53/11/962985311.db2.gz	CNXAZNJYAZGGJR-KURKYZTESA-N	1	0	361.486	1.008	20	30		FDEDRO
C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC[C@@H]1CCCCO1	ZINC001110182163	963084786	/nfs/dbraw/zinc/08/47/86/963084786.db2.gz	YRCHYIGCEZLVQL-XWSJACJDSA-N	1	0	366.502	1.886	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=O)N(C)C1CC1	ZINC001175350613	963159975	/nfs/dbraw/zinc/15/99/75/963159975.db2.gz	QMZBKHDPUKJOHR-OIISXLGYSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)N1CCCC1	ZINC001175360099	963165485	/nfs/dbraw/zinc/16/54/85/963165485.db2.gz	YJSBQMUITUOLLW-BBWFWOEESA-N	1	0	351.491	1.465	20	30		FDEDRO
N#C[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1	ZINC001183618999	963193601	/nfs/dbraw/zinc/19/36/01/963193601.db2.gz	WKLXJSCFNYVHQT-KZNAEPCWSA-N	1	0	357.454	1.834	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC(F)(F)F)C1	ZINC001111684263	963230916	/nfs/dbraw/zinc/23/09/16/963230916.db2.gz	IQDCKWJDPZXGFF-WWGRRREGSA-N	1	0	361.408	1.990	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCO[C@H]1C(=C)C	ZINC001175631298	963243708	/nfs/dbraw/zinc/24/37/08/963243708.db2.gz	YEMULPMQVAGTCE-AOIWGVFYSA-N	1	0	363.502	1.372	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2	ZINC001110188898	963272627	/nfs/dbraw/zinc/27/26/27/963272627.db2.gz	VDKGSZUJABAVEJ-SQNIBIBYSA-N	1	0	362.518	1.276	20	30		FDEDRO
N#Cc1ccccc1CN1CCCC[C@@H]1C(=O)N1CCn2nncc2C1	ZINC001183830855	963301410	/nfs/dbraw/zinc/30/14/10/963301410.db2.gz	JMPUCIBWTKTFAK-GOSISDBHSA-N	1	0	350.426	1.547	20	30		FDEDRO
COCCC1([NH3+])CCN(C(=O)[C@H]2CN(c3cccc(C#N)c3)C(=O)O2)CC1	ZINC001184380756	963566571	/nfs/dbraw/zinc/56/65/71/963566571.db2.gz	OJZMEKWGMWTSDR-MRXNPFEDSA-N	1	0	372.425	1.240	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)C1	ZINC001184388425	963575035	/nfs/dbraw/zinc/57/50/35/963575035.db2.gz	BSLSGMHDSFXALL-AQNXPRMDSA-N	1	0	356.466	1.617	20	30		FDEDRO
CN(CCN(C)S(=O)(=O)c1cccc(F)c1C#N)C1CC[NH+](C)CC1	ZINC000774747281	963584744	/nfs/dbraw/zinc/58/47/44/963584744.db2.gz	XFDDAGVDUBWIRU-UHFFFAOYSA-N	1	0	368.478	1.344	20	30		FDEDRO
O=C(C[NH2+][C@@H]1CCN(C(=O)[C@]23C[C@H]2CCC3)C1)NCC#Cc1ccccc1	ZINC001184445410	963594786	/nfs/dbraw/zinc/59/47/86/963594786.db2.gz	WDWNBYWFEVNSHL-WOIUINJBSA-N	1	0	365.477	1.535	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2CC)C1	ZINC001184453155	963621934	/nfs/dbraw/zinc/62/19/34/963621934.db2.gz	FJAOINZNPLJXOP-ZACQAIPSSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=C[C@@H]1C[C@]1(NC(=O)C1CC[NH+](Cc2ccccn2)CC1)C(=O)OCC	ZINC001177214569	963708014	/nfs/dbraw/zinc/70/80/14/963708014.db2.gz	NELLYTKMMUDHGV-OXQOHEQNSA-N	1	0	357.454	1.918	20	30		FDEDRO
C[N@H+](C1CN(C(=O)c2cc(Cl)c(C#N)c(Cl)n2)C1)[C@H]1CCOC1	ZINC001184807582	963713788	/nfs/dbraw/zinc/71/37/88/963713788.db2.gz	CDAGAQPGIURGNR-VIFPVBQESA-N	1	0	355.225	1.805	20	30		FDEDRO
C=CC[C@@H](CO)C[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl	ZINC000774828611	963801196	/nfs/dbraw/zinc/80/11/96/963801196.db2.gz	WGEWGQQORHDRKT-CHWSQXEVSA-N	1	0	361.895	1.479	20	30		FDEDRO
Cn1cnnc1CCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC001177432283	963840507	/nfs/dbraw/zinc/84/05/07/963840507.db2.gz	HVVATXHEZBFOSL-UHFFFAOYSA-N	1	0	352.442	1.422	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1	ZINC001185633539	964017178	/nfs/dbraw/zinc/01/71/78/964017178.db2.gz	QBUHDNYEHBXTFV-IXDOHACOSA-N	1	0	351.491	1.559	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2	ZINC001178527526	964278538	/nfs/dbraw/zinc/27/85/38/964278538.db2.gz	NYGIEHCCPKZRJF-ZSYWTGECSA-N	1	0	359.514	1.993	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)C2(C(N)=O)CC2)C1	ZINC001186196788	964345628	/nfs/dbraw/zinc/34/56/28/964345628.db2.gz	UAXWKBVVRIHUTG-SJLPKXTDSA-N	1	0	371.456	1.636	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cc2nc[nH]n2)C1	ZINC001186203654	964351214	/nfs/dbraw/zinc/35/12/14/964351214.db2.gz	PWTYFSQMFGFHIA-NVXWUHKLSA-N	1	0	355.417	1.341	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)Nc2ccon2)[C@@H]1C	ZINC001178725712	964362682	/nfs/dbraw/zinc/36/26/82/964362682.db2.gz	RSSIXHUGOCOSJW-XGUBFFRZSA-N	1	0	362.430	1.173	20	30		FDEDRO
N#C[C@@H]1CNCCN1C(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1	ZINC001186308522	964434075	/nfs/dbraw/zinc/43/40/75/964434075.db2.gz	YANPFRCLNIUUFP-RTWAWAEBSA-N	1	0	360.461	1.937	20	30		FDEDRO
N#C[C@H]1CNCCN1C(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1	ZINC001186308520	964434357	/nfs/dbraw/zinc/43/43/57/964434357.db2.gz	YANPFRCLNIUUFP-LEWJYISDSA-N	1	0	360.461	1.937	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC12CCOCC2	ZINC001186495203	964524265	/nfs/dbraw/zinc/52/42/65/964524265.db2.gz	ZJQKHKHLYQLDGL-IXDOHACOSA-N	1	0	363.502	1.309	20	30		FDEDRO
COCC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC2)CC12CCOCC2	ZINC001186521398	964546194	/nfs/dbraw/zinc/54/61/94/964546194.db2.gz	DMFHPFUCRFMZMD-GBESFXJTSA-N	1	0	360.498	1.527	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CCO[C@H]1CC	ZINC001179090189	964713376	/nfs/dbraw/zinc/71/33/76/964713376.db2.gz	XBJZBXOWVNIKAL-BBWFWOEESA-N	1	0	353.507	1.758	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CC2CC(NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)cc1	ZINC000962315471	1013523111	/nfs/dbraw/zinc/52/31/11/1013523111.db2.gz	UTILAGSGRFKXGQ-UMQBVGHOSA-N	1	0	354.454	1.444	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ccc3c(c2)nnn3C)C1	ZINC000962322206	1013531684	/nfs/dbraw/zinc/53/16/84/1013531684.db2.gz	SUQRNKLVDYSJRS-FCJNSDPXSA-N	1	0	369.469	1.544	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCCC(C)(C)C)[C@@H]1C	ZINC001179566074	964901144	/nfs/dbraw/zinc/90/11/44/964901144.db2.gz	WZOXWWOFNPGRHQ-YVSFHVDLSA-N	1	0	365.518	1.709	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC(C)(C)CC)[C@@H]1C	ZINC001179565332	964901206	/nfs/dbraw/zinc/90/12/06/964901206.db2.gz	DOCVNOGKOOHDTE-FZKCQIBNSA-N	1	0	351.491	1.461	20	30		FDEDRO
Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]2C)c1	ZINC001179691831	964945269	/nfs/dbraw/zinc/94/52/69/964945269.db2.gz	DJCJXKRFRYFNOJ-OWLYRPNTSA-N	1	0	354.454	1.317	20	30		FDEDRO
CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N	ZINC001187082120	965003106	/nfs/dbraw/zinc/00/31/06/965003106.db2.gz	OUNJZYYJTYZHKE-LBPRGKRZSA-N	1	0	352.416	1.429	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)c3ccc(F)cc3F)C[C@H]21	ZINC001187281591	965163197	/nfs/dbraw/zinc/16/31/97/965163197.db2.gz	WPVFAHLDNPWJFV-VHSSKADRSA-N	1	0	366.408	1.734	20	30		FDEDRO
CCC(=O)NCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(OC)c(C#N)c3)C[C@H]21	ZINC001187312308	965233996	/nfs/dbraw/zinc/23/39/96/965233996.db2.gz	VLBAXCAWVIXHHY-DOTOQJQBSA-N	1	0	370.453	1.126	20	30		FDEDRO
C[N@H+](C1CN(C(=O)C2CCN(c3ccccc3C#N)CC2)C1)[C@H]1CCOC1	ZINC001180506615	965370846	/nfs/dbraw/zinc/37/08/46/965370846.db2.gz	FRKDIXFPEVRAQS-SFHVURJKSA-N	1	0	368.481	1.706	20	30		FDEDRO
C#CCCCCC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21	ZINC001187591304	965509951	/nfs/dbraw/zinc/50/99/51/965509951.db2.gz	JHPUWJVOULOBAF-FGTMMUONSA-N	1	0	366.527	1.538	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)c3ccccc3F)C[C@H]21	ZINC001187597821	965516567	/nfs/dbraw/zinc/51/65/67/965516567.db2.gz	DXAFXKIWHZNKHE-RLFYNMQTSA-N	1	0	357.429	1.559	20	30		FDEDRO
N#CC1(NC(=O)CCNC(=O)C2CC2)CC[NH+](Cc2ccccc2)CC1	ZINC001180854868	965652319	/nfs/dbraw/zinc/65/23/19/965652319.db2.gz	SBCAIYCRWBAZCK-UHFFFAOYSA-N	1	0	354.454	1.577	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(-c4cnn(C)c4)no3)C[C@H]21	ZINC001187736342	965692643	/nfs/dbraw/zinc/69/26/43/965692643.db2.gz	FXLXNYUUCVFWHM-HNAYVOBHSA-N	1	0	367.453	1.911	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)C(C)=C3CCC3)[C@@H]2C1	ZINC001187813178	965756867	/nfs/dbraw/zinc/75/68/67/965756867.db2.gz	OJDNMJFGIWMNAY-JKSUJKDBSA-N	1	0	360.458	1.031	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C(N)=O)cc3)C[C@H]21	ZINC001187832867	965824467	/nfs/dbraw/zinc/82/44/67/965824467.db2.gz	COYOQLFBRUULPG-ZWKOTPCHSA-N	1	0	353.466	1.868	20	30		FDEDRO
C=C(C)CCC(=O)N1CC[C@H]2C[N@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]21	ZINC001188081065	965996423	/nfs/dbraw/zinc/99/64/23/965996423.db2.gz	WBJVMNWZEYUWLA-RRFJBIMHSA-N	1	0	364.408	1.815	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N(CC)CC)C[C@H]21)OCC	ZINC001188096006	966007189	/nfs/dbraw/zinc/00/71/89/966007189.db2.gz	WRVLZAOZRPOHPU-KSZLIROESA-N	1	0	365.518	1.759	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCCN2C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC000964477688	1013626609	/nfs/dbraw/zinc/62/66/09/1013626609.db2.gz	RGJRHTKWLKLQRT-SOLBZPMBSA-N	1	0	371.485	1.728	20	30		FDEDRO
C#Cc1cnc(NC(=O)c2ccccc2CN2CC[NH+](C)CC2)c(C#C)n1	ZINC001188338254	966217078	/nfs/dbraw/zinc/21/70/78/966217078.db2.gz	IRBLCWCLLMBSRW-UHFFFAOYSA-N	1	0	359.433	1.439	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3nc(C)n4ccccc34)[C@@H]2C1	ZINC001188553972	966389599	/nfs/dbraw/zinc/38/95/99/966389599.db2.gz	HIXGZQOIQZRHCA-FUHWJXTLSA-N	1	0	352.438	1.439	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)[C@@H]2C1	ZINC001188659553	966463243	/nfs/dbraw/zinc/46/32/43/966463243.db2.gz	YVQWYLPCWVDWQT-WMLDXEAASA-N	1	0	355.442	1.444	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCCN1C(=O)C[NH+]1CCCC1	ZINC000964507491	1013658507	/nfs/dbraw/zinc/65/85/07/1013658507.db2.gz	PXASJWKWDUBJBL-KURKYZTESA-N	1	0	363.502	1.561	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)Nc4ccccc43)[C@@H]2C1	ZINC001188724089	966536443	/nfs/dbraw/zinc/53/64/43/966536443.db2.gz	LUYBBKJMDKLEDC-KVSKMBFKSA-N	1	0	367.449	1.295	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)[C@@H]2C1	ZINC001188724483	966538529	/nfs/dbraw/zinc/53/85/29/966538529.db2.gz	VYSVYSLXGGHULY-GOEBONIOSA-N	1	0	360.458	1.628	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(CC(=O)N[C@@H](C)C(C)C)C[C@H]32)cc1	ZINC001188744325	966552352	/nfs/dbraw/zinc/55/23/52/966552352.db2.gz	MQCAQHCMXMCSPO-FFZOFVMBSA-N	1	0	367.493	1.975	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]21	ZINC001188909005	966648963	/nfs/dbraw/zinc/64/89/63/966648963.db2.gz	MMOHJQUGEMAKCA-HRCADAONSA-N	1	0	357.520	1.013	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4[nH]c(=O)[nH]c4n3)[C@@H]2C1	ZINC001188942141	966657935	/nfs/dbraw/zinc/65/79/35/966657935.db2.gz	QCYHOXCYCZGCKZ-SWLSCSKDSA-N	1	0	357.414	1.012	20	30		FDEDRO
C=C1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCNC(=O)NC(C)C)C[C@H]32)CC1	ZINC001189041630	966713796	/nfs/dbraw/zinc/71/37/96/966713796.db2.gz	TXNFHANIYIHJMC-ZWKOTPCHSA-N	1	0	362.518	1.973	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4ncn(C)c4n3)[C@@H]2C1	ZINC001189117751	966746376	/nfs/dbraw/zinc/74/63/76/966746376.db2.gz	LXEUTONDVXRWLD-WMLDXEAASA-N	1	0	355.442	1.317	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]32)c1	ZINC001189077984	966754582	/nfs/dbraw/zinc/75/45/82/966754582.db2.gz	ZDDPPLXHJDOGGP-DFQSSKMNSA-N	1	0	371.481	1.243	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CS(=O)(=O)N(CC)CC)[C@@H]2C1	ZINC001189291500	966875064	/nfs/dbraw/zinc/87/50/64/966875064.db2.gz	ARRPMGXSSZSSPN-IXDOHACOSA-N	1	0	371.547	1.545	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CC[C@H]2CN(Cc3cc(C#N)ccc3OC)C[C@H]21	ZINC001189471588	966984744	/nfs/dbraw/zinc/98/47/44/966984744.db2.gz	WSUFUHRBFJGXME-PKOBYXMFSA-N	1	0	370.497	1.941	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CCCC(=O)N(CC)CC)[C@@H]2C1	ZINC001189439811	966991834	/nfs/dbraw/zinc/99/18/34/966991834.db2.gz	WGFRGQUOPXQNCU-ZWKOTPCHSA-N	1	0	365.518	1.760	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3nc4cc[nH]cc-4n3)[C@@H]2C1	ZINC001189669186	967135826	/nfs/dbraw/zinc/13/58/26/967135826.db2.gz	SLMZCTVSAOGGMH-MAUKXSAKSA-N	1	0	367.453	1.073	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCC(=O)NCCCOC)[C@@H]2C1	ZINC001189755228	967229200	/nfs/dbraw/zinc/22/92/00/967229200.db2.gz	FPGBNVVCNZMSNZ-FGTMMUONSA-N	1	0	365.518	1.807	20	30		FDEDRO
N#CCNC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1	ZINC000852475370	967359679	/nfs/dbraw/zinc/35/96/79/967359679.db2.gz	ZWNQUTHFHOBFTO-OLZOCXBDSA-N	1	0	360.380	1.282	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCCc3ccccn3)[C@@H]2C1	ZINC001189898815	967416209	/nfs/dbraw/zinc/41/62/09/967416209.db2.gz	PHFNCXYETOXGIZ-ZIFCJYIRSA-N	1	0	370.497	1.628	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c(cn3)nc[nH]c4=O)[C@@H]2C1	ZINC001189963399	967458764	/nfs/dbraw/zinc/45/87/64/967458764.db2.gz	SREHRTIGGBFBAL-SUMWQHHRSA-N	1	0	369.425	1.079	20	30		FDEDRO
C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N	ZINC001190052210	967520309	/nfs/dbraw/zinc/52/03/09/967520309.db2.gz	FSRSWWFHKWBPTD-DOMZBBRYSA-N	1	0	364.427	1.714	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Oc3ccc(F)cc3)[C@@H]2C1	ZINC001190082677	967549754	/nfs/dbraw/zinc/54/97/54/967549754.db2.gz	UKLBXAVTOFMQRJ-TXPKVOOTSA-N	1	0	360.429	1.776	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H](C(C)C)[C@@H](O)c1ccc(Cl)cc1	ZINC000852730644	967556240	/nfs/dbraw/zinc/55/62/40/967556240.db2.gz	FRCWLPGACXCPRH-CVEARBPZSA-N	1	0	353.850	1.999	20	30		FDEDRO
[NH3+]C[C@@H]1CCCc2ccc(C(=O)NCCNC(=O)C3N=CC=CC3=O)cc21	ZINC000852807686	967622262	/nfs/dbraw/zinc/62/22/62/967622262.db2.gz	XMAWCCZBHYTQOE-ZJYNUGOYSA-N	1	0	368.437	1.321	20	30		FDEDRO
COc1ccccc1[C@H](NC(=O)C#CC1CC[NH2+]CC1)c1noc(C)n1	ZINC000852840573	967649265	/nfs/dbraw/zinc/64/92/65/967649265.db2.gz	QIXGCXWVRVPBCD-SFHVURJKSA-N	1	0	354.410	1.595	20	30		FDEDRO
C[C@@H]1CN(c2ccc(CNC(=O)C#CC3CC[NH2+]CC3)cn2)C[C@@H](C)O1	ZINC000852857941	967661535	/nfs/dbraw/zinc/66/15/35/967661535.db2.gz	KQFKPJREJMRKFS-HZPDHXFCSA-N	1	0	356.470	1.314	20	30		FDEDRO
C[C@@H]1CN(Cc2csc(NC(=O)C#CC3CC[NH2+]CC3)n2)C[C@H](C)O1	ZINC000852857458	967661915	/nfs/dbraw/zinc/66/19/15/967661915.db2.gz	TWZSMDNXGJWYRV-OKILXGFUSA-N	1	0	362.499	1.694	20	30		FDEDRO
COc1cc(OC)cc(N2CC[C@H](NC(=O)C#CC3CC[NH2+]CC3)C2)c1	ZINC000852872970	967679885	/nfs/dbraw/zinc/67/98/85/967679885.db2.gz	UQTRKILFSLWYIT-INIZCTEOSA-N	1	0	357.454	1.402	20	30		FDEDRO
CC(C)(C)[C@H](NC(=O)C#CC1CC[NH2+]CC1)c1nc(-c2nc[nH]n2)no1	ZINC000852885929	967689077	/nfs/dbraw/zinc/68/90/77/967689077.db2.gz	FIJDELUDJVQZCK-CYBMUJFWSA-N	1	0	357.418	1.061	20	30		FDEDRO
COC(=O)[C@H](CNC(=O)C#CC1CC[NH2+]CC1)Cc1ccccc1OC	ZINC000852890561	967692978	/nfs/dbraw/zinc/69/29/78/967692978.db2.gz	ZCAFFLRJTQPPAM-KRWDZBQOSA-N	1	0	358.438	1.146	20	30		FDEDRO
N#Cc1cccc(C2(NC(=O)c3[nH]nc4c3C[NH2+]CC4)CCOCC2)c1	ZINC000852911653	967700874	/nfs/dbraw/zinc/70/08/74/967700874.db2.gz	ZHLPFMRCEFHJAX-UHFFFAOYSA-N	1	0	351.410	1.363	20	30		FDEDRO
C[NH2+]C[C@H](C)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21	ZINC000852919787	967710430	/nfs/dbraw/zinc/71/04/30/967710430.db2.gz	CAKCPZQRMNDURD-ZDUSSCGKSA-N	1	0	366.487	1.010	20	30		FDEDRO
COc1ccccc1[C@H](O)C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1	ZINC000853133043	967850396	/nfs/dbraw/zinc/85/03/96/967850396.db2.gz	GFBHCKFIPPPKPY-QFBILLFUSA-N	1	0	356.422	1.824	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C(N)=O)cc3)C[C@H]21	ZINC001190440105	967851872	/nfs/dbraw/zinc/85/18/72/967851872.db2.gz	GZLBPMLEZRTWGI-JCGIZDLHSA-N	1	0	357.454	1.409	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc4nonc4c3)C[C@H]21	ZINC001190449748	967875778	/nfs/dbraw/zinc/87/57/78/967875778.db2.gz	DLBDSAKUOHLWLF-DHSIGJKJSA-N	1	0	356.426	1.847	20	30		FDEDRO
COc1cc([N+](=O)[O-])ccc1C(C)=NNC(=S)NCCC[NH+](C)C	ZINC000853306168	967964500	/nfs/dbraw/zinc/96/45/00/967964500.db2.gz	RFLZVPCIYKLCKT-UHFFFAOYSA-N	1	0	353.448	1.743	20	30		FDEDRO
N#Cc1ccc(C(=O)N(c2ncccc2F)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)nc1	ZINC001190583524	967968480	/nfs/dbraw/zinc/96/84/80/967968480.db2.gz	CYCQCTALINHLCI-LIRRHRJNSA-N	1	0	367.384	1.655	20	30		FDEDRO
COC(=O)CCN(CCC[NH+](C)C)S(=O)(=O)c1cc(C#N)ccc1F	ZINC001190629978	967994894	/nfs/dbraw/zinc/99/48/94/967994894.db2.gz	ASFIDNKMVRGQSS-UHFFFAOYSA-N	1	0	371.434	1.203	20	30		FDEDRO
N#CC[C@@H]1CCCN(CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)C1	ZINC000853524321	968081143	/nfs/dbraw/zinc/08/11/43/968081143.db2.gz	LWEIYIFHLCNBEM-GBESFXJTSA-N	1	0	366.465	1.687	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCOCC1=O)C2	ZINC001110670759	968148982	/nfs/dbraw/zinc/14/89/82/968148982.db2.gz	CQPNXSGPUFJALI-ZACQAIPSSA-N	1	0	351.491	1.537	20	30		FDEDRO
C#CCCN(CCOC)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000853655055	968228195	/nfs/dbraw/zinc/22/81/95/968228195.db2.gz	RIIASKLJRRJSCI-HXUWFJFHSA-N	1	0	372.513	1.656	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCCC2N=NC(=S)N2C(C)C)CC1	ZINC000853691783	968252673	/nfs/dbraw/zinc/25/26/73/968252673.db2.gz	DVSHFBXKQJNIJA-UHFFFAOYSA-N	1	0	352.508	1.640	20	30		FDEDRO
N#CCSCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCc3ccccc32)C[C@H]1O	ZINC001191149199	968298075	/nfs/dbraw/zinc/29/80/75/968298075.db2.gz	HRUQFTWHDFTOBT-KBAYOESNSA-N	1	0	359.495	1.525	20	30		FDEDRO
C#CCNc1nc(N[C@H](C)C2(CO)CC2)[nH+]c(N[C@H](C)C2(CO)CC2)n1	ZINC000853805742	968333482	/nfs/dbraw/zinc/33/34/82/968333482.db2.gz	YAURNQSUMJOEBS-CHWSQXEVSA-N	1	0	360.462	1.063	20	30		FDEDRO
CC(C)(O)C#Cc1ccc(C(=O)N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)cc1	ZINC001191188201	968353961	/nfs/dbraw/zinc/35/39/61/968353961.db2.gz	DMJQXVAJZCSMPH-IYARVYRRSA-N	1	0	356.466	1.920	20	30		FDEDRO
CCN(CCC#N)C(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1	ZINC001191293346	968402192	/nfs/dbraw/zinc/40/21/92/968402192.db2.gz	BYXFMDBNOIMFOG-GVDBMIGSSA-N	1	0	362.518	1.963	20	30		FDEDRO
N#CCOc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1	ZINC000853996442	968512593	/nfs/dbraw/zinc/51/25/93/968512593.db2.gz	UTJONMWQSNYYMU-INIZCTEOSA-N	1	0	370.453	1.766	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1CN([C@H](C)C(=O)N2CCCc3ccccc32)C[C@H]1O	ZINC001191644962	968684613	/nfs/dbraw/zinc/68/46/13/968684613.db2.gz	BVEGVFDQSYHMRO-SZVBFZGTSA-N	1	0	371.481	1.482	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2N(C)C)C[C@H]1O	ZINC001192054036	968931785	/nfs/dbraw/zinc/93/17/85/968931785.db2.gz	HYUWMVFNQFYZPC-IEBWSBKVSA-N	1	0	361.486	1.397	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCN(C(=O)OCC)C1	ZINC000776752953	969082551	/nfs/dbraw/zinc/08/25/51/969082551.db2.gz	PNISXPFBUSFZDA-HZSPNIEDSA-N	1	0	354.451	1.233	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCCc2cccc(F)c2)C[C@H]1O	ZINC001192530082	969174631	/nfs/dbraw/zinc/17/46/31/969174631.db2.gz	JKPYVTQIIJMBEA-ZHALLVOQSA-N	1	0	350.434	1.247	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H](N(C)CC(=O)NCCCC)C1	ZINC001192780076	969285621	/nfs/dbraw/zinc/28/56/21/969285621.db2.gz	ZAGZNDWFOBOGRC-LNLFQRSKSA-N	1	0	365.518	1.807	20	30		FDEDRO
CO[C@@H](Cc1ccccc1)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1	ZINC001192814000	969314100	/nfs/dbraw/zinc/31/41/00/969314100.db2.gz	UPDDDQKZPCXGNZ-IPMKNSEASA-N	1	0	358.482	1.455	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1C[N@@H+](CC2CCC(C(F)(F)F)CC2)C[C@H]1O	ZINC001192821534	969316262	/nfs/dbraw/zinc/31/62/62/969316262.db2.gz	NBWYXRZMPMOWRB-QDIHITRGSA-N	1	0	358.404	1.930	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1O	ZINC001192925186	969383095	/nfs/dbraw/zinc/38/30/95/969383095.db2.gz	WYLGVLDIRAPLFF-RCCFBDPRSA-N	1	0	354.491	1.480	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1	ZINC001193118236	969482352	/nfs/dbraw/zinc/48/23/52/969482352.db2.gz	MKUVLXMRCVRKIU-HNNXBMFYSA-N	1	0	362.499	2.000	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3c2OCCO3)C1	ZINC001193513874	969731772	/nfs/dbraw/zinc/73/17/72/969731772.db2.gz	JBXPLMVUYAYFBO-IAGOWNOFSA-N	1	0	360.454	1.979	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@H]2O)CCOCC1	ZINC001193726308	969817817	/nfs/dbraw/zinc/81/78/17/969817817.db2.gz	AMFJNAKUULLAPA-HUUCEWRRSA-N	1	0	356.413	1.013	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnn3ccccc23)C1	ZINC001193842915	969868752	/nfs/dbraw/zinc/86/87/52/969868752.db2.gz	LRPSLBLEJNQFPE-IEBWSBKVSA-N	1	0	356.470	1.785	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2c(C)csc2=O)C1	ZINC001193805343	969873125	/nfs/dbraw/zinc/87/31/25/969873125.db2.gz	LXTACVQTGNTITL-NWANDNLSSA-N	1	0	353.488	1.124	20	30		FDEDRO
CCCCCCCCOCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1O	ZINC001193828040	969884834	/nfs/dbraw/zinc/88/48/34/969884834.db2.gz	IFYMJZOOBFZVMD-GUDVDZBRSA-N	1	0	370.534	1.951	20	30		FDEDRO
C[NH+](C)CC1CN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C1	ZINC000854722428	969920995	/nfs/dbraw/zinc/92/09/95/969920995.db2.gz	WNTXEMUBKJDMPG-HNNXBMFYSA-N	1	0	352.479	1.984	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc3cccnc3c2)C1	ZINC001194030509	969961811	/nfs/dbraw/zinc/96/18/11/969961811.db2.gz	CXDPEQYYKWIWPW-RTBURBONSA-N	1	0	355.438	1.141	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nc(C)[nH]c3C2)C1	ZINC001194243750	970069010	/nfs/dbraw/zinc/06/90/10/970069010.db2.gz	CLMNBSWMXHFFGF-KFKAGJAMSA-N	1	0	362.518	1.955	20	30		FDEDRO
C#CCN(CC(=O)N1CCOC2(CC[NH+](C)CC2)C1)C(=O)OC(C)(C)C	ZINC000855009988	970094436	/nfs/dbraw/zinc/09/44/36/970094436.db2.gz	GMKQPHIASYJQMT-UHFFFAOYSA-N	1	0	365.474	1.180	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(OC)ccnc2OC)C1	ZINC001194625706	970275697	/nfs/dbraw/zinc/27/56/97/970275697.db2.gz	QHPBUHLHPRQHNU-HUUCEWRRSA-N	1	0	363.458	1.620	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1ccccc1C	ZINC001110461659	970425830	/nfs/dbraw/zinc/42/58/30/970425830.db2.gz	CPBKOWGACROKOX-ISARSNTHSA-N	1	0	353.466	1.917	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc2c(c1)CCC2	ZINC001110461843	970428190	/nfs/dbraw/zinc/42/81/90/970428190.db2.gz	LATOLKBTXGXZRR-AQNXPRMDSA-N	1	0	365.477	1.536	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(Br)c2)C1	ZINC001194825154	970446723	/nfs/dbraw/zinc/44/67/23/970446723.db2.gz	PUJINTBVLCIUPM-CYZMBNFOSA-N	1	0	356.264	1.907	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1	ZINC000644920934	1013999947	/nfs/dbraw/zinc/99/99/47/1013999947.db2.gz	FOHUFOMSQSMYEL-IRXDYDNUSA-N	1	0	359.474	1.224	20	30		FDEDRO
CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)C1	ZINC000776828163	970661496	/nfs/dbraw/zinc/66/14/96/970661496.db2.gz	PECVALQJYOPVFM-RLFYNMQTSA-N	1	0	352.479	1.887	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)C(C)(C)C)C1	ZINC001195172846	970750785	/nfs/dbraw/zinc/75/07/85/970750785.db2.gz	VRCPHZZIACWXQX-HZPDHXFCSA-N	1	0	353.507	1.447	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)C(=O)NC3=O)C1	ZINC001197912600	972577255	/nfs/dbraw/zinc/57/72/55/972577255.db2.gz	KVUYDWNNDSNIIO-IAGOWNOFSA-N	1	0	371.437	1.092	20	30		FDEDRO
CCCCCCOCC(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1O	ZINC001198142500	972862546	/nfs/dbraw/zinc/86/25/46/972862546.db2.gz	HRVRZZHMGFBNCG-IAGOWNOFSA-N	1	0	365.499	1.878	20	30		FDEDRO
C[C@@H]1CCC[C@@H](C)[NH+]1CC(N)=NOCC(=O)NCc1cccc(C#N)c1	ZINC000794529373	972902206	/nfs/dbraw/zinc/90/22/06/972902206.db2.gz	RYGPOUOVCPFOLB-HUUCEWRRSA-N	1	0	357.458	1.936	20	30		FDEDRO
COc1cncc(CON=C(N)c2ccc(CN3CCOCC3)cc2)n1	ZINC000863456262	972934853	/nfs/dbraw/zinc/93/48/53/972934853.db2.gz	MOZRSVMXWYMQKI-UHFFFAOYSA-N	1	0	357.414	1.155	20	30		FDEDRO
NC(=NOCc1cc(CO)ccc1F)c1ccc(CN2CCOCC2)cc1	ZINC000863456050	972934960	/nfs/dbraw/zinc/93/49/60/972934960.db2.gz	DXVZBGFJOQSWPR-UHFFFAOYSA-N	1	0	373.428	1.987	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NC1CC[NH+](C(C)C)CC1	ZINC000266057872	972998351	/nfs/dbraw/zinc/99/83/51/972998351.db2.gz	ABIPCQVCSKMEKC-UHFFFAOYSA-N	1	0	361.417	1.765	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]CC(=O)Nc2ccc(F)c(F)c2)CCOCC1	ZINC000863549448	973002961	/nfs/dbraw/zinc/00/29/61/973002961.db2.gz	JSSMMXJPABWOMB-CYBMUJFWSA-N	1	0	353.369	1.564	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]CC[S@@](=O)Cc1ccccc1	ZINC000863551086	973007543	/nfs/dbraw/zinc/00/75/43/973007543.db2.gz	CQZUBVJKYZARGK-IQGLISFBSA-N	1	0	358.463	1.836	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]CC[S@@](=O)Cc1ccccc1	ZINC000863551079	973007580	/nfs/dbraw/zinc/00/75/80/973007580.db2.gz	CQZUBVJKYZARGK-AVRWGWEMSA-N	1	0	358.463	1.836	20	30		FDEDRO
COc1ccc(C2=NO[C@H](C[NH2+]C[C@@H](O)CC3(C#N)CCOCC3)C2)cc1	ZINC000863558062	973015249	/nfs/dbraw/zinc/01/52/49/973015249.db2.gz	VIHFJMQKJSPENE-WMZOPIPTSA-N	1	0	373.453	1.849	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCOc2cc(C)ccc2C)C1	ZINC001198359412	973055228	/nfs/dbraw/zinc/05/52/28/973055228.db2.gz	LPIIYLOMJWLOEF-QZTJIDSGSA-N	1	0	362.470	1.436	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ccc3ccccc32)C1	ZINC001198501316	973174961	/nfs/dbraw/zinc/17/49/61/973174961.db2.gz	WRWATKBCCFPZTB-IEBWSBKVSA-N	1	0	357.454	1.395	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCc2nc(CC)no2)C1	ZINC001198644524	973348330	/nfs/dbraw/zinc/34/83/30/973348330.db2.gz	CHRKAVOZRMVXMX-RRFJBIMHSA-N	1	0	350.463	1.471	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1	ZINC000645225633	1014119810	/nfs/dbraw/zinc/11/98/10/1014119810.db2.gz	GRJZJEFEHWPMJC-LJQANCHMSA-N	1	0	373.497	1.981	20	30		FDEDRO
CC(C)[C@H](CO)[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC001198863447	973602426	/nfs/dbraw/zinc/60/24/26/973602426.db2.gz	QJHJMYXWPRWGPA-GJZGRUSLSA-N	1	0	350.488	1.063	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](c2ccc(F)cc2)C(C)C)C1	ZINC001199253006	974078909	/nfs/dbraw/zinc/07/89/09/974078909.db2.gz	MYQYKUWNCOXAOC-QRVBRYPASA-N	1	0	364.461	1.929	20	30		FDEDRO
COc1cc(CNC(=O)[C@@]2(C#N)CCCOC2)ccc1OCC[NH+](C)C	ZINC000865088568	974079928	/nfs/dbraw/zinc/07/99/28/974079928.db2.gz	IEFWKPNHBUBRFD-LJQANCHMSA-N	1	0	361.442	1.572	20	30		FDEDRO
C[N@H+](CCN1CCN(C(=O)[C@@]2(C#N)CCCOC2)CC1)Cc1ccccc1	ZINC000865171849	974157170	/nfs/dbraw/zinc/15/71/70/974157170.db2.gz	PTCKMMYYFKNBIN-OAQYLSRUSA-N	1	0	370.497	1.583	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)C[C@H]2O)CCCCC1	ZINC001199278354	974162638	/nfs/dbraw/zinc/16/26/38/974162638.db2.gz	YQMQPFQVEJYGQD-QZTJIDSGSA-N	1	0	358.486	1.098	20	30		FDEDRO
N#C[C@@]1(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)CCCOC1	ZINC000867312067	974163582	/nfs/dbraw/zinc/16/35/82/974163582.db2.gz	WIQZSRMCIKOJEO-QUCCMNQESA-N	1	0	357.454	1.580	20	30		FDEDRO
CN(C)c1cc[nH+]cc1C(=O)N1CCCN(c2ccc(C#N)cn2)CC1	ZINC001199351517	974177005	/nfs/dbraw/zinc/17/70/05/974177005.db2.gz	HRXWWOVUKZXNOE-UHFFFAOYSA-N	1	0	350.426	1.767	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]CCNS(=O)(=O)Cc1ccccc1	ZINC000865426096	974290832	/nfs/dbraw/zinc/29/08/32/974290832.db2.gz	BHKBWLOPMMIDGP-UHFFFAOYSA-N	1	0	372.494	1.833	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2	ZINC000865429853	974292748	/nfs/dbraw/zinc/29/27/48/974292748.db2.gz	IFBHLNPLLHLHCE-INIZCTEOSA-N	1	0	369.421	1.882	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]C[C@](O)(c1nccn1C)C(F)(F)F	ZINC000865460856	974310419	/nfs/dbraw/zinc/31/04/19/974310419.db2.gz	VRXJRFDQZIKBMM-INIZCTEOSA-N	1	0	367.375	1.897	20	30		FDEDRO
C#CC[C@H](CC(=O)N[C@@H]1C[N@H+](CCCOCC)C[C@H]1O)c1ccccc1	ZINC001199505785	974326473	/nfs/dbraw/zinc/32/64/73/974326473.db2.gz	KLAGLECLIBARFF-VAMGGRTRSA-N	1	0	358.482	1.772	20	30		FDEDRO
COC(=O)c1ccc(Cl)c(C=NNC(=S)NCCC[NH+](C)C)c1	ZINC000794849098	974372369	/nfs/dbraw/zinc/37/23/69/974372369.db2.gz	APELOIWMCXRQEY-UHFFFAOYSA-N	1	0	356.879	1.876	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCc3ccccc3C2)C1	ZINC001199591017	974395732	/nfs/dbraw/zinc/39/57/32/974395732.db2.gz	MCLUDYWDIDQCKM-SBHAEUEKSA-N	1	0	358.482	1.546	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1	ZINC000865640532	974397093	/nfs/dbraw/zinc/39/70/93/974397093.db2.gz	LHHJCOJATGEAPT-MRXNPFEDSA-N	1	0	362.441	1.430	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COc1ccccc1	ZINC001110538092	974410328	/nfs/dbraw/zinc/41/03/28/974410328.db2.gz	NGLJGUKNEURGSI-BWPNAZKDSA-N	1	0	356.466	1.807	20	30		FDEDRO
CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)c1cnc(C#N)cn1)[C@H]2C	ZINC001199665803	974452245	/nfs/dbraw/zinc/45/22/45/974452245.db2.gz	UTWIWGQSXAFZHZ-ZDUSSCGKSA-N	1	0	353.430	1.602	20	30		FDEDRO
C#Cc1cccc(N(C)C(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)c1	ZINC000105324482	974576236	/nfs/dbraw/zinc/57/62/36/974576236.db2.gz	NOIHASUOUDODOR-IEBWSBKVSA-N	1	0	353.466	1.964	20	30		FDEDRO
CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2cc(F)cc(C#N)c2)CC1	ZINC000867373585	974908936	/nfs/dbraw/zinc/90/89/36/974908936.db2.gz	WJEYGJYCNAMTDU-UHFFFAOYSA-N	1	0	368.478	1.392	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)cc1C#N	ZINC001201304333	975001373	/nfs/dbraw/zinc/00/13/73/975001373.db2.gz	QDRNLSWCDVPWLN-OAHLLOKOSA-N	1	0	373.482	1.446	20	30		FDEDRO
CCCCCCC[N@@H+]1CCOC[C@]2(CN(c3cnn(C)c3)C(=O)CO2)C1	ZINC001201776359	975155100	/nfs/dbraw/zinc/15/51/00/975155100.db2.gz	CSKBZSUUEMAADB-LJQANCHMSA-N	1	0	364.490	1.825	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1	ZINC000645327818	1014242826	/nfs/dbraw/zinc/24/28/26/1014242826.db2.gz	BQWSAYUKCROCBN-QGZVFWFLSA-N	1	0	350.507	1.010	20	30		FDEDRO
C#C[C@H]1CCCN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1	ZINC000847308014	975449906	/nfs/dbraw/zinc/44/99/06/975449906.db2.gz	BXHQWPVNZCBWJI-INIZCTEOSA-N	1	0	356.470	1.533	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@]2(C#N)CCCOC2)CC1	ZINC000866413378	975624160	/nfs/dbraw/zinc/62/41/60/975624160.db2.gz	QBAVRSRQKICGJG-IBGZPJMESA-N	1	0	364.490	1.050	20	30		FDEDRO
C#C[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1	ZINC000847559980	975824529	/nfs/dbraw/zinc/82/45/29/975824529.db2.gz	OIGFWVOHRCTSEW-QGZVFWFLSA-N	1	0	368.481	1.244	20	30		FDEDRO
C=CCCC[N@@H+](C)CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O	ZINC000121143888	975830513	/nfs/dbraw/zinc/83/05/13/975830513.db2.gz	YQVRJYYCSNXIPZ-FQEVSTJZSA-N	1	0	372.469	1.859	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1	ZINC000847605537	975899660	/nfs/dbraw/zinc/89/96/60/975899660.db2.gz	CITRPYPHYXTONV-ZWKOTPCHSA-N	1	0	355.438	1.770	20	30		FDEDRO
C#CCOc1cccc(OS(=O)(=O)CCCN2CC[NH+](C)CC2)c1	ZINC000866747995	975989343	/nfs/dbraw/zinc/98/93/43/975989343.db2.gz	AQRSKRXSRWRAIH-UHFFFAOYSA-N	1	0	352.456	1.045	20	30		FDEDRO
CN(C)c1ccccc1CNN=C1CC[NH+](CCN2CCOCC2)CC1	ZINC000794958719	976215788	/nfs/dbraw/zinc/21/57/88/976215788.db2.gz	XNSUNJXHWMUMHM-UHFFFAOYSA-N	1	0	359.518	1.626	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N1CCC([N@H+](C)CCCO)CC1	ZINC000265927481	976477508	/nfs/dbraw/zinc/47/75/08/976477508.db2.gz	IHGQVJOOCYNDBW-UHFFFAOYSA-N	1	0	359.470	1.687	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1	ZINC000867793182	976868846	/nfs/dbraw/zinc/86/88/46/976868846.db2.gz	FCILSPKKKYHUQG-QGZVFWFLSA-N	1	0	372.535	1.480	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCCOC	ZINC001110603896	976900125	/nfs/dbraw/zinc/90/01/25/976900125.db2.gz	UXPHGSPBGVOCSF-TWMKSMIVSA-N	1	0	354.491	1.334	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCCNC(=O)c1cccs1	ZINC000867927592	977100246	/nfs/dbraw/zinc/10/02/46/977100246.db2.gz	JTOLEPUGVWUDCQ-INIZCTEOSA-N	1	0	354.435	1.353	20	30		FDEDRO
CCNC(=O)c1cccc(CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)c1	ZINC000867942990	977120337	/nfs/dbraw/zinc/12/03/37/977120337.db2.gz	ITEDZGVMDWEBMI-LJQANCHMSA-N	1	0	362.433	1.811	20	30		FDEDRO
Cc1ccc(C(=O)NCCNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)cc1	ZINC000867944053	977121966	/nfs/dbraw/zinc/12/19/66/977121966.db2.gz	OGYNYZNGLGNYKL-IBGZPJMESA-N	1	0	362.433	1.600	20	30		FDEDRO
Cc1ccc(C(=O)NCCNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)cc1	ZINC000867944054	977121981	/nfs/dbraw/zinc/12/19/81/977121981.db2.gz	OGYNYZNGLGNYKL-LJQANCHMSA-N	1	0	362.433	1.600	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)N1CCOCC1	ZINC000867963554	977147666	/nfs/dbraw/zinc/14/76/66/977147666.db2.gz	XEZWZFSPICMMPX-RTBURBONSA-N	1	0	356.470	1.218	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@H]1CC2(CO1)CCOCC2	ZINC000867993465	977177518	/nfs/dbraw/zinc/17/75/18/977177518.db2.gz	UEALUBRTFSRXQU-SJLPKXTDSA-N	1	0	355.438	1.447	20	30		FDEDRO
CN(C)C(=[NH+]CCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)N(C)C	ZINC000848994256	977286600	/nfs/dbraw/zinc/28/66/00/977286600.db2.gz	KOUSMGXUCQHKBJ-UHFFFAOYSA-N	1	0	370.494	1.848	20	30		FDEDRO
CCNC(NCCNS(=O)(=O)c1cccc(Cl)c1Cl)=[NH+]CC	ZINC000849051031	977293887	/nfs/dbraw/zinc/29/38/87/977293887.db2.gz	SMXDPLLTCRFXHA-UHFFFAOYSA-N	1	0	367.302	1.847	20	30		FDEDRO
CN(C)C(=[NH+]Cc1ccccc1OCC(=O)NC[C@H]1CCCO1)N(C)C	ZINC000849059116	977297976	/nfs/dbraw/zinc/29/79/76/977297976.db2.gz	CFEUNFQMBJOBKW-MRXNPFEDSA-N	1	0	362.474	1.340	20	30		FDEDRO
C[NH+]=C(NCc1ccco1)NCc1ccc(N(C)S(C)(=O)=O)cc1	ZINC000849077136	977305581	/nfs/dbraw/zinc/30/55/81/977305581.db2.gz	QBHCLGVRGHXUCZ-UHFFFAOYSA-N	1	0	350.444	1.541	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000849106101	977318848	/nfs/dbraw/zinc/31/88/48/977318848.db2.gz	UNNXEVBDSNQUPF-OAGGEKHMSA-N	1	0	364.490	1.848	20	30		FDEDRO
C[C@@H]1C[C@H](CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)[C@@H](C)O1	ZINC000849117337	977330439	/nfs/dbraw/zinc/33/04/39/977330439.db2.gz	ADBKSVKPCDQYPK-KBUPBQIOSA-N	1	0	352.479	1.680	20	30		FDEDRO
COc1ccc(NC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1C#N	ZINC000868207395	977346128	/nfs/dbraw/zinc/34/61/28/977346128.db2.gz	ZKNZLIKCFRJOLX-CQSZACIVSA-N	1	0	371.441	1.243	20	30		FDEDRO
C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C[NH+](C)C)cc1	ZINC000849434133	977588080	/nfs/dbraw/zinc/58/80/80/977588080.db2.gz	WFIFYGKEIHVARR-UHFFFAOYSA-N	1	0	366.483	1.714	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1	ZINC000108606545	977604542	/nfs/dbraw/zinc/60/45/42/977604542.db2.gz	ORYYSZOBUNWUCZ-HOTGVXAUSA-N	1	0	357.454	1.874	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000645473676	1014415534	/nfs/dbraw/zinc/41/55/34/1014415534.db2.gz	VXCCFKMIQVTUBM-RTBURBONSA-N	1	0	359.470	1.351	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1C[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C	ZINC000868654304	977871756	/nfs/dbraw/zinc/87/17/56/977871756.db2.gz	YYHLXKWEOVKCLL-LSDHHAIUSA-N	1	0	352.479	1.639	20	30		FDEDRO
COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000850443249	978374222	/nfs/dbraw/zinc/37/42/22/978374222.db2.gz	PSSZAXPSXWRQBU-JCNXWTJJSA-N	1	0	360.370	1.780	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc1	ZINC000850829982	978687952	/nfs/dbraw/zinc/68/79/52/978687952.db2.gz	YNPFYPNZWZDUIL-KRWDZBQOSA-N	1	0	369.465	1.875	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1	ZINC000850897663	978713844	/nfs/dbraw/zinc/71/38/44/978713844.db2.gz	AGARQSJOQBOLRS-ZYSHUDEJSA-N	1	0	373.453	1.257	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(c2ccc(C#N)cn2)CC1	ZINC001110630089	978875846	/nfs/dbraw/zinc/87/58/46/978875846.db2.gz	KOBAFXDIQMIBBD-VQIMIIECSA-N	1	0	365.481	1.724	20	30		FDEDRO
CC(C)[NH2+]CC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1	ZINC000851629070	978978102	/nfs/dbraw/zinc/97/81/02/978978102.db2.gz	UYXOQNHJQTWXNF-CYVLTUHYSA-N	1	0	352.460	1.436	20	30		FDEDRO
CC[C@H](C#N)Oc1cc(CNC(=O)NCC23CC(C2)C[NH2+]3)ccc1OC	ZINC000851657213	978986586	/nfs/dbraw/zinc/98/65/86/978986586.db2.gz	YCFQPDVVXHLLAP-XAUUPUKJSA-N	1	0	358.442	1.927	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](c3nccs3)C2)CC1	ZINC000880319424	979094983	/nfs/dbraw/zinc/09/49/83/979094983.db2.gz	GGISBAPRKRDAHD-HOTGVXAUSA-N	1	0	361.515	1.625	20	30		FDEDRO
COc1cccc2c1CC[C@]2(CO)[NH2+]CC(=O)NCc1ccc(C#N)cc1	ZINC000880379950	979143816	/nfs/dbraw/zinc/14/38/16/979143816.db2.gz	FMZVKSCDLXCTNB-OAQYLSRUSA-N	1	0	365.433	1.607	20	30		FDEDRO
COc1cccc2c1CC[C@]2(CO)[NH2+]C[C@H](O)COc1ccc(C#N)cc1	ZINC000880379991	979144833	/nfs/dbraw/zinc/14/48/33/979144833.db2.gz	KSRYPEVLINSTDG-HRAATJIYSA-N	1	0	368.433	1.730	20	30		FDEDRO
COc1cccc2c1CC[C@]2(CO)[NH2+]C[C@H](O)CC1(C#N)CCOCC1	ZINC000880383079	979146854	/nfs/dbraw/zinc/14/68/54/979146854.db2.gz	ZQQPGXNPEUPPFP-FOIQADDNSA-N	1	0	360.454	1.490	20	30		FDEDRO
C#CCC1(O)CC[NH+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC1	ZINC000880481150	979222095	/nfs/dbraw/zinc/22/20/95/979222095.db2.gz	NAMWSCPQGAISSO-UHFFFAOYSA-N	1	0	363.845	1.618	20	30		FDEDRO
Cc1cc(F)c(C#N)cc1NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000880992584	979566199	/nfs/dbraw/zinc/56/61/99/979566199.db2.gz	VORPJAWGONZMRN-QGZVFWFLSA-N	1	0	373.432	1.776	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)c1	ZINC000881474449	979967859	/nfs/dbraw/zinc/96/78/59/979967859.db2.gz	AUELDKBUOYMJOC-SFHVURJKSA-N	1	0	356.470	1.997	20	30		FDEDRO
N#Cc1c(F)cccc1C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1	ZINC000881624575	980023488	/nfs/dbraw/zinc/02/34/88/980023488.db2.gz	UYCHBFOZWJUORW-UHFFFAOYSA-N	1	0	358.417	1.643	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1	ZINC000881625007	980023974	/nfs/dbraw/zinc/02/39/74/980023974.db2.gz	HOJYWURVNSNFEZ-UHFFFAOYSA-N	1	0	353.466	1.543	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)c3cc(O)cc(C#N)c3)cc2)CC1	ZINC000881851927	980214225	/nfs/dbraw/zinc/21/42/25/980214225.db2.gz	DLPJTSQUJXHRJP-UHFFFAOYSA-N	1	0	350.422	1.946	20	30		FDEDRO
CN1CCc2c(cccc2S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1	ZINC000881885343	980253953	/nfs/dbraw/zinc/25/39/53/980253953.db2.gz	ZUFCNALSABINOO-MRXNPFEDSA-N	1	0	360.483	1.035	20	30		FDEDRO
N#Cc1cnc(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c(Br)c1	ZINC000881906266	980281480	/nfs/dbraw/zinc/28/14/80/980281480.db2.gz	KDVXXVZRVNMQCF-LBPRGKRZSA-N	1	0	366.263	1.715	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(c2ncc(C#N)cc2Br)CC1	ZINC000881984730	980346706	/nfs/dbraw/zinc/34/67/06/980346706.db2.gz	BBEZXHZDWIGGPD-UHFFFAOYSA-N	1	0	353.264	1.999	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)N=[S@](C)(=O)N(C)C)C(C)C	ZINC000882100836	980423387	/nfs/dbraw/zinc/42/33/87/980423387.db2.gz	MDPHGAAQDVLMDE-FPTDNZKUSA-N	1	0	366.553	1.094	20	30		FDEDRO
COC(=O)[C@H]1CN(c2nccc(Oc3cccc(C#N)c3)n2)CC[N@H+](C)C1	ZINC000882451445	980649949	/nfs/dbraw/zinc/64/99/49/980649949.db2.gz	GEARRMCRANYVOL-OAHLLOKOSA-N	1	0	367.409	1.682	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC1	ZINC000882529741	980702779	/nfs/dbraw/zinc/70/27/79/980702779.db2.gz	VIEZWYHOUATRGT-OAHLLOKOSA-N	1	0	367.490	1.208	20	30		FDEDRO
CN1CC[NH+](CC2CN(c3ncc(C#N)cc3Br)C2)CC1	ZINC000882540315	980711109	/nfs/dbraw/zinc/71/11/09/980711109.db2.gz	MDXBRKICSXFOSZ-UHFFFAOYSA-N	1	0	350.264	1.399	20	30		FDEDRO
N#CCc1ccccc1CC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000882634006	980770484	/nfs/dbraw/zinc/77/04/84/980770484.db2.gz	HGFFJQTWLMMFOI-HXUWFJFHSA-N	1	0	370.497	1.208	20	30		FDEDRO
Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)cc1C#N	ZINC000882635288	980772326	/nfs/dbraw/zinc/77/23/26/980772326.db2.gz	FBJDAYJUBZEYEY-LJQANCHMSA-N	1	0	356.470	1.393	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@](C(=O)OCC)(C2CC2)C(F)(F)F)CC1	ZINC000857663095	981625900	/nfs/dbraw/zinc/62/59/00/981625900.db2.gz	OZBGEVOSKBLAMG-MRXNPFEDSA-N	1	0	360.376	1.722	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO	ZINC001110727555	981675352	/nfs/dbraw/zinc/67/53/52/981675352.db2.gz	NBPXJURZGOPEQX-NXHRZFHOSA-N	1	0	360.454	1.595	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000858151414	981866422	/nfs/dbraw/zinc/86/64/22/981866422.db2.gz	FLFPWPXAEHPLKH-HXUWFJFHSA-N	1	0	372.513	1.662	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)cc1	ZINC000858243037	981937764	/nfs/dbraw/zinc/93/77/64/981937764.db2.gz	AJFFXJBNDRLKRF-GDBMZVCRSA-N	1	0	363.425	1.784	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)cc1	ZINC000858243040	981937771	/nfs/dbraw/zinc/93/77/71/981937771.db2.gz	AJFFXJBNDRLKRF-ZBFHGGJFSA-N	1	0	363.425	1.784	20	30		FDEDRO
C#CC[C@@H](CO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1	ZINC000883124587	981965541	/nfs/dbraw/zinc/96/55/41/981965541.db2.gz	KSKGPRWKPCDIQN-NSHDSACASA-N	1	0	360.151	1.673	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[C@H]1CCOC1	ZINC000883213888	982017871	/nfs/dbraw/zinc/01/78/71/982017871.db2.gz	SFYXOZAVDZZHKV-HRCADAONSA-N	1	0	367.490	1.540	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000858394084	982025712	/nfs/dbraw/zinc/02/57/12/982025712.db2.gz	FWJKDGDSCGMFJQ-RBUKOAKNSA-N	1	0	359.470	1.615	20	30		FDEDRO
COC[C@@](C)(CCO)[NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N	ZINC000132592440	982391010	/nfs/dbraw/zinc/39/10/10/982391010.db2.gz	JPKBWQKOMNCMLH-IFXJQAMLSA-N	1	0	354.410	1.601	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)Nc2nccs2)CC1	ZINC001202559315	982527831	/nfs/dbraw/zinc/52/78/31/982527831.db2.gz	AJOMLYVFEAYYGN-KGLIPLIRSA-N	1	0	364.471	1.253	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)/C=C/c2ccc(S(C)(=O)=O)o2)CC1	ZINC000859251157	982646330	/nfs/dbraw/zinc/64/63/30/982646330.db2.gz	YDXKHVYAKOBRJM-GQCTYLIASA-N	1	0	352.456	1.853	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cnc2c(c1)NC(=O)CN2C)C(C)C	ZINC000859357499	982742729	/nfs/dbraw/zinc/74/27/29/982742729.db2.gz	QJGRWYFQGLCBLD-KRWDZBQOSA-N	1	0	371.485	1.898	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)c1cnc2c(c1)NC(=O)CN2C)C(C)C	ZINC000859357501	982742887	/nfs/dbraw/zinc/74/28/87/982742887.db2.gz	QJGRWYFQGLCBLD-QGZVFWFLSA-N	1	0	371.485	1.898	20	30		FDEDRO
Cc1cccc(C)c1NC(=O)CN(C)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884053845	982772597	/nfs/dbraw/zinc/77/25/97/982772597.db2.gz	IUMDRYLIDILQJH-NGEICVOHSA-N	1	0	354.454	1.840	20	30		FDEDRO
Cc1cccc(NC(=O)CN(C)C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c1C	ZINC000884054490	982773961	/nfs/dbraw/zinc/77/39/61/982773961.db2.gz	HIMOGJXDWHQUOL-NGEICVOHSA-N	1	0	354.454	1.840	20	30		FDEDRO
COc1ccc(OC)c2c1CN(C(=O)C1CC3(C1)C[NH2+]C[C@H]3C#N)C[C@@H]2O	ZINC000884060907	982791679	/nfs/dbraw/zinc/79/16/79/982791679.db2.gz	OVAQKNXVVZXVMK-POPMDCJUSA-N	1	0	371.437	1.219	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCCNC(=O)c1ccc(Cl)cc1)C2	ZINC000884066937	982813494	/nfs/dbraw/zinc/81/34/94/982813494.db2.gz	OQQYKZDGGIJYLA-FVRSWCFKSA-N	1	0	360.845	1.325	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccccc1CN1CCCC1=O)C2	ZINC000884076184	982826568	/nfs/dbraw/zinc/82/65/68/982826568.db2.gz	UGDCBJHODJBMOS-WBTXTPOCSA-N	1	0	366.465	1.565	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1ccc(=O)n(Cc3ccccc3)c1)C2	ZINC000884081973	982838145	/nfs/dbraw/zinc/83/81/45/982838145.db2.gz	PUYLONBQSYXWJS-BATSVXPKSA-N	1	0	362.433	1.974	20	30		FDEDRO
COC(=O)C[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccc(F)cc1	ZINC000884105720	982874236	/nfs/dbraw/zinc/87/42/36/982874236.db2.gz	WIJFGXWVOGRODL-RGUMBQAQSA-N	1	0	359.401	1.685	20	30		FDEDRO
C[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccc(N2CCOC2=O)cc1	ZINC000884109012	982879252	/nfs/dbraw/zinc/87/92/52/982879252.db2.gz	SEKGTBSZAUTNSV-QCGWZAEESA-N	1	0	368.437	1.960	20	30		FDEDRO
CCN1c2ccccc2C(=NNC(=S)NC[C@H]2CCC[N@@H+]2CC)C1=O	ZINC000884128466	982909981	/nfs/dbraw/zinc/90/99/81/982909981.db2.gz	FGIHQZLUDHKFHW-CYBMUJFWSA-N	1	0	359.499	1.706	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)C1	ZINC000884135673	982918768	/nfs/dbraw/zinc/91/87/68/982918768.db2.gz	QORDRLNJBGUNPZ-INIZCTEOSA-N	1	0	350.507	1.273	20	30		FDEDRO
CC(C)Oc1cccc([C@H](O)CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c1	ZINC000884144573	982925009	/nfs/dbraw/zinc/92/50/09/982925009.db2.gz	NWHRIMJWJVZHPN-URTYCYGZSA-N	1	0	357.454	1.763	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1cccn(Cc3ccccc3)c1=O)C2	ZINC000884162513	982938958	/nfs/dbraw/zinc/93/89/58/982938958.db2.gz	GZLVKOQWBVQFEI-BQIYRTECSA-N	1	0	362.433	1.974	20	30		FDEDRO
COc1cc(OC)cc(OCCCNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c1	ZINC000884172258	982945881	/nfs/dbraw/zinc/94/58/81/982945881.db2.gz	PVVJSECJTRBPTQ-RDYUPDBUSA-N	1	0	373.453	1.728	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCCNc3ccccn3)=[NH+]C[C@@H]2C1	ZINC000133886452	982948720	/nfs/dbraw/zinc/94/87/20/982948720.db2.gz	CIWVVWVWYZKWNA-OAHLLOKOSA-N	1	0	374.489	1.764	20	30		FDEDRO
C[C@@H]1CN(c2ccc(CNC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)cn2)CCO1	ZINC000884186641	982962879	/nfs/dbraw/zinc/96/28/79/982962879.db2.gz	FXLVJUCRDNMQLQ-IKNQFMJRSA-N	1	0	369.469	1.062	20	30		FDEDRO
COc1ccccc1N1CC[C@@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1	ZINC000884207892	982983968	/nfs/dbraw/zinc/98/39/68/982983968.db2.gz	JUDWKTANFMNLBV-CLIJALBYSA-N	1	0	368.481	1.777	20	30		FDEDRO
Cn1c(CCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)nc2c1cccc2F	ZINC000884218386	982992814	/nfs/dbraw/zinc/99/28/14/982992814.db2.gz	NBVXSJKGZDOLBC-MLZJXEJWSA-N	1	0	355.417	1.510	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NCC1([NH+]2CCSCC2)CCCCC1	ZINC000884220915	982994988	/nfs/dbraw/zinc/99/49/88/982994988.db2.gz	FQCIZEPOLFISKA-HNNXBMFYSA-N	1	0	369.531	1.301	20	30		FDEDRO
COc1ccccc1N1CC[C@@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1	ZINC000884228543	983003138	/nfs/dbraw/zinc/00/31/38/983003138.db2.gz	SGKZTGQYVKHTSI-QNBXZPKWSA-N	1	0	354.454	1.529	20	30		FDEDRO
Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884315825	983078150	/nfs/dbraw/zinc/07/81/50/983078150.db2.gz	BECQYZDJQCAKDX-WAGVIYRNSA-N	1	0	352.438	1.134	20	30		FDEDRO
C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884335232	983093940	/nfs/dbraw/zinc/09/39/40/983093940.db2.gz	NRXOFOWWEWMWFF-TYJOOELLSA-N	1	0	368.481	1.804	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1	ZINC000780043647	1014912740	/nfs/dbraw/zinc/91/27/40/1014912740.db2.gz	IGXIORZSGZWBTP-CYBMUJFWSA-N	1	0	356.426	1.659	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)c1ccc(C#N)cc1	ZINC000884541370	983232964	/nfs/dbraw/zinc/23/29/64/983232964.db2.gz	CDKFLOKPDHJRDK-QRWLVFNGSA-N	1	0	354.454	1.728	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)ccc1Cl	ZINC000923687449	983292477	/nfs/dbraw/zinc/29/24/77/983292477.db2.gz	XUJFZNREIFTUAV-ZDUSSCGKSA-N	1	0	369.874	1.730	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)/C=C/c1ccc(S(C)(=O)=O)o1	ZINC000860610869	983457957	/nfs/dbraw/zinc/45/79/57/983457957.db2.gz	CCFISCAEXUDOGS-MARXPDLDSA-N	1	0	353.440	1.973	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nc(C)c(C)nc1C)C2	ZINC001110789449	983552170	/nfs/dbraw/zinc/55/21/70/983552170.db2.gz	ZRLIOYUHGQPBPW-HZMVEIRTSA-N	1	0	371.485	1.428	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)CCOC3)C2	ZINC001110797798	983688121	/nfs/dbraw/zinc/68/81/21/983688121.db2.gz	LSSQRASWQLWOHY-QRVBRYPASA-N	1	0	369.465	1.397	20	30		FDEDRO
N#Cc1cccnc1NCCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1	ZINC000861565001	983780060	/nfs/dbraw/zinc/78/00/60/983780060.db2.gz	PLDLONHHSMCGFD-QGZVFWFLSA-N	1	0	372.473	1.165	20	30		FDEDRO
CC[C@H](C#N)Oc1cc(CNC(=O)NC[C@H]2COCC[NH2+]2)ccc1OC	ZINC000861578507	983783821	/nfs/dbraw/zinc/78/38/21/983783821.db2.gz	QIBOCEFPRRCUFA-LSDHHAIUSA-N	1	0	362.430	1.164	20	30		FDEDRO
C=CC[C@@H](NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)c1ccncc1	ZINC000861582260	983784723	/nfs/dbraw/zinc/78/47/23/983784723.db2.gz	RNJWRXBMKLPQCY-QGZVFWFLSA-N	1	0	372.473	1.051	20	30		FDEDRO
COC(=O)C1(C#N)CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1	ZINC000861901729	983983139	/nfs/dbraw/zinc/98/31/39/983983139.db2.gz	XMDPMSYBSMCGKZ-DLBZAZTESA-N	1	0	355.438	1.637	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H]1CCCC[N@H+](C)C1	ZINC000862030971	984065041	/nfs/dbraw/zinc/06/50/41/984065041.db2.gz	BYBMHODOYAWQGF-LSDHHAIUSA-N	1	0	358.442	1.764	20	30		FDEDRO
N#Cc1ccc(N2CCN(Cc3ccc(-n4cncn4)c(F)c3)CC2)cn1	ZINC000862421542	984384751	/nfs/dbraw/zinc/38/47/51/984384751.db2.gz	YKJYYBPNBHHSCW-UHFFFAOYSA-N	1	0	363.400	1.995	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)NC[C@H]1CC[N@@H+]1C1CCCCC1	ZINC000862628957	984446842	/nfs/dbraw/zinc/44/68/42/984446842.db2.gz	KZOWKDKGFRTAKB-RAJOGRCSSA-N	1	0	360.458	1.426	20	30		FDEDRO
Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O	ZINC000862647759	984461425	/nfs/dbraw/zinc/46/14/25/984461425.db2.gz	ZKDRIHFPKLZNKL-HNNXBMFYSA-N	1	0	369.425	1.320	20	30		FDEDRO
N#CCNC(=O)C[NH+]1CCC([C@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1	ZINC000795034473	984574167	/nfs/dbraw/zinc/57/41/67/984574167.db2.gz	TYRTUTQUXJNKKB-MSOLQXFVSA-N	1	0	370.453	1.653	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCOc3ccc(N)cc3C2)CC1	ZINC000884642274	984649060	/nfs/dbraw/zinc/64/90/60/984649060.db2.gz	FORZQLHHTNKWEM-UHFFFAOYSA-N	1	0	372.469	1.147	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@@H]2c3ccccc3CN2C)CC1	ZINC000869104124	984857542	/nfs/dbraw/zinc/85/75/42/984857542.db2.gz	ANCQUDAKTWMBDM-GOSISDBHSA-N	1	0	354.454	1.344	20	30		FDEDRO
C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@@H+]1CC[C@@H](O)C1	ZINC000869462705	985122127	/nfs/dbraw/zinc/12/21/27/985122127.db2.gz	XDRHCXYQZCGISF-CHWSQXEVSA-N	1	0	361.870	1.205	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1ccc(CCC#N)cc1	ZINC000885190964	985230293	/nfs/dbraw/zinc/23/02/93/985230293.db2.gz	FWFPVQDHJFQJBZ-UHFFFAOYSA-N	1	0	366.531	1.647	20	30		FDEDRO
N#C[C@@]12CN(C(=O)c3cccc(C[NH+]4CCCC4)c3)C[C@@H]1CS(=O)(=O)C2	ZINC000885319916	985335535	/nfs/dbraw/zinc/33/55/35/985335535.db2.gz	CDOQVZFUWFPXFE-MJGOQNOKSA-N	1	0	373.478	1.293	20	30		FDEDRO
N#Cc1ccc(C[C@H](C#N)C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)cc1	ZINC000885883666	985750095	/nfs/dbraw/zinc/75/00/95/985750095.db2.gz	YJLSINBNPWLYPH-IEBWSBKVSA-N	1	0	352.438	1.610	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)n1	ZINC000890254362	985835918	/nfs/dbraw/zinc/83/59/18/985835918.db2.gz	CWDYCGAODGRVIU-QGZVFWFLSA-N	1	0	369.469	1.999	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCC2)CCN1C[C@@H](O)CC1(C#N)CCC1	ZINC000886048993	985850455	/nfs/dbraw/zinc/85/04/55/985850455.db2.gz	CPQXUXOOKKFUMI-QYZOEREBSA-N	1	0	374.529	1.882	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)CCC1	ZINC000886202953	985964132	/nfs/dbraw/zinc/96/41/32/985964132.db2.gz	ILBLVAGWUTWBFE-BBWFWOEESA-N	1	0	365.474	1.801	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)CCC1	ZINC000886208111	985971207	/nfs/dbraw/zinc/97/12/07/985971207.db2.gz	WDNKYIQBANNACY-LSDHHAIUSA-N	1	0	355.504	1.225	20	30		FDEDRO
CC(C)(C)OC(=O)[C@]12COC[C@H]1C[N@H+](C[C@@H](O)CC1(C#N)CCC1)C2	ZINC000886278747	986016833	/nfs/dbraw/zinc/01/68/33/986016833.db2.gz	IDFHAJBBVCUOPF-ZRGWGRIASA-N	1	0	350.459	1.721	20	30		FDEDRO
C#CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1	ZINC000886361676	986099435	/nfs/dbraw/zinc/09/94/35/986099435.db2.gz	QPKPCQNGFYKPQL-RRFJBIMHSA-N	1	0	363.483	1.245	20	30		FDEDRO
C#CC[N@@H+](C[C@H](O)CC(=O)OCC)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886426194	986202170	/nfs/dbraw/zinc/20/21/70/986202170.db2.gz	MFXZOIARJUVVPD-MRXNPFEDSA-N	1	0	368.474	1.635	20	30		FDEDRO
CN(C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)[C@@H]1CCC[C@H]1C#N	ZINC000870669125	986215936	/nfs/dbraw/zinc/21/59/36/986215936.db2.gz	OTSAVOMHOMQGAR-SOUVJXGZSA-N	1	0	352.479	1.982	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C1CC[NH+](C)CC1	ZINC000886582526	986386365	/nfs/dbraw/zinc/38/63/65/986386365.db2.gz	YHCFKTIVCRYUHN-OAHLLOKOSA-N	1	0	357.429	1.735	20	30		FDEDRO
C#CCN(C(=O)CNC(=O)c1ccccc1OCC)C1CC[NH+](C)CC1	ZINC000886589183	986397057	/nfs/dbraw/zinc/39/70/57/986397057.db2.gz	MIEZTWBTPBXPFL-UHFFFAOYSA-N	1	0	357.454	1.371	20	30		FDEDRO
C#CCN(C(=O)Cc1cc(OC)c(OC)c(OC)c1)C1CC[NH+](C)CC1	ZINC000886589188	986398278	/nfs/dbraw/zinc/39/82/78/986398278.db2.gz	MPFIYRJIBZJISM-UHFFFAOYSA-N	1	0	360.454	1.811	20	30		FDEDRO
C#CCN1CCC[C@@H]([NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)C1	ZINC000886661228	986465533	/nfs/dbraw/zinc/46/55/33/986465533.db2.gz	PKSRNQAZPAVLFG-GDBMZVCRSA-N	1	0	350.484	1.847	20	30		FDEDRO
C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000871098464	986667399	/nfs/dbraw/zinc/66/73/99/986667399.db2.gz	CMJGWMCJKYELNJ-KRWDZBQOSA-N	1	0	374.533	1.574	20	30		FDEDRO
Cn1c(N2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)c(C#N)c(=O)n(C)c1=O	ZINC000871666286	987185971	/nfs/dbraw/zinc/18/59/71/987185971.db2.gz	BHWPRDMPTJUIFW-CZUORRHYSA-N	1	0	359.474	1.080	20	30		FDEDRO
N#Cc1ccc(F)c(Cn2cnc3c(cnn3C3CC[NH2+]CC3)c2=O)c1	ZINC000871676828	987190913	/nfs/dbraw/zinc/19/09/13/987190913.db2.gz	LBRZCGITHSCZOZ-UHFFFAOYSA-N	1	0	352.373	1.577	20	30		FDEDRO
NC(=NO[C@H]1CCN(C2CCC2)C1=O)c1ccc(CN2CCOCC2)cc1	ZINC000871729120	987209989	/nfs/dbraw/zinc/20/99/89/987209989.db2.gz	BWNDYOUSNSLEQN-SFHVURJKSA-N	1	0	372.469	1.309	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c(C#N)c1	ZINC000871805062	987250060	/nfs/dbraw/zinc/25/00/60/987250060.db2.gz	MHUWNZPMGRHXRU-BRWVUGGUSA-N	1	0	363.483	1.916	20	30		FDEDRO
C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)c1ccc(C#N)c(Br)c1)C2	ZINC000871815841	987269917	/nfs/dbraw/zinc/26/99/17/987269917.db2.gz	WEUKOXZQQIVTTN-SMDDNHRTSA-N	1	0	370.272	1.551	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1	ZINC000872186006	987485868	/nfs/dbraw/zinc/48/58/68/987485868.db2.gz	SAEKPBLTMBWSCQ-YVEFUNNKSA-N	1	0	367.902	1.984	20	30		FDEDRO
N#Cc1ccsc1NC(=O)CC[N@@H+]1CCNC(=O)CC12CCOCC2	ZINC000872289882	987574744	/nfs/dbraw/zinc/57/47/44/987574744.db2.gz	SSRSSGCDUQJCOA-UHFFFAOYSA-N	1	0	362.455	1.319	20	30		FDEDRO
C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N	ZINC000796574263	1015320515	/nfs/dbraw/zinc/32/05/15/1015320515.db2.gz	HTQAYFYACXCEFT-YSVLISHTSA-N	1	0	366.421	1.695	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C[C@H]1c1ccccc1	ZINC000292812547	987906599	/nfs/dbraw/zinc/90/65/99/987906599.db2.gz	WJYZMMVRKKHRHN-SQNIBIBYSA-N	1	0	369.469	1.275	20	30		FDEDRO
C[NH+](C)CCC1CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CC1	ZINC000299008967	988035429	/nfs/dbraw/zinc/03/54/29/988035429.db2.gz	OFBDVNZOGHOTJQ-UHFFFAOYSA-N	1	0	358.442	1.718	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc1	ZINC000293605611	988129501	/nfs/dbraw/zinc/12/95/01/988129501.db2.gz	GLZAEIXASDOGEW-GDBMZVCRSA-N	1	0	353.426	1.367	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[NH+]2CCC(CC(=O)N3CCOCC3)CC2)cc1	ZINC000360899604	988198009	/nfs/dbraw/zinc/19/80/09/988198009.db2.gz	UZHRLAZEJWNLAH-LJQANCHMSA-N	1	0	357.454	1.553	20	30		FDEDRO
COc1ccc([C@H](C[NH+](C)C)NC(=O)C(=O)Nc2ccc(C#N)cn2)cc1	ZINC000293800255	988219091	/nfs/dbraw/zinc/21/90/91/988219091.db2.gz	UXTPUGHNCPEEKI-INIZCTEOSA-N	1	0	367.409	1.319	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1	ZINC000873108258	988571672	/nfs/dbraw/zinc/57/16/72/988571672.db2.gz	VXCNFNFKIPRDJW-MWLCHTKSSA-N	1	0	358.295	1.231	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1	ZINC000873108259	988571912	/nfs/dbraw/zinc/57/19/12/988571912.db2.gz	VXCNFNFKIPRDJW-ONGXEEELSA-N	1	0	358.295	1.231	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[NH+]2CCC(C(=O)Nc3cnccn3)CC2)cc1	ZINC000366271756	988592329	/nfs/dbraw/zinc/59/23/29/988592329.db2.gz	QDEXNWJCXNVTFM-KRWDZBQOSA-N	1	0	351.410	1.732	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@]2(N3CCOCC3)CCCOC2)cc1	ZINC000362214809	988606946	/nfs/dbraw/zinc/60/69/46/988606946.db2.gz	CDSUBPHSXHOMSP-FXAWDEMLSA-N	1	0	359.470	1.948	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@]2(N3CCOCC3)CCCOC2)cc1	ZINC000362214812	988607398	/nfs/dbraw/zinc/60/73/98/988607398.db2.gz	CDSUBPHSXHOMSP-PXNSSMCTSA-N	1	0	359.470	1.948	20	30		FDEDRO
C[N@H+](CC(=O)Nc1ccc(C#N)cc1)C1CCN(c2cccnn2)CC1	ZINC000362241376	988612929	/nfs/dbraw/zinc/61/29/29/988612929.db2.gz	VXFOYQIKURZLLZ-UHFFFAOYSA-N	1	0	350.426	1.888	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCC(n2cnc(C#N)n2)CC1)C[NH+]1CCCCC1	ZINC000366328087	988623899	/nfs/dbraw/zinc/62/38/99/988623899.db2.gz	PVBHVRVFKDZHHY-HNNXBMFYSA-N	1	0	359.478	1.618	20	30		FDEDRO
N#Cc1ncn(C2CC[NH+](CCC(=O)Nc3ccc4c(c3)OCO4)CC2)n1	ZINC000366338769	988630785	/nfs/dbraw/zinc/63/07/85/988630785.db2.gz	GQPNXKGEHDAHSB-UHFFFAOYSA-N	1	0	368.397	1.544	20	30		FDEDRO
CCOC(=O)c1cnn(C2CC[NH+](CCC(=O)N(C)CCC#N)CC2)c1	ZINC000295424201	988681975	/nfs/dbraw/zinc/68/19/75/988681975.db2.gz	CONWHFXLORWPIC-UHFFFAOYSA-N	1	0	361.446	1.459	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)CC1	ZINC000366419595	988687391	/nfs/dbraw/zinc/68/73/91/988687391.db2.gz	LXMUOFYVLZQNDB-QAPCUYQASA-N	1	0	359.474	1.096	20	30		FDEDRO
C=CCN1CC[C@@H](N2C[C@H](C)N([C@H]3CCN(CC=C)C3=O)CC2(C)C)C1=O	ZINC000295849601	988787693	/nfs/dbraw/zinc/78/76/93/988787693.db2.gz	BWFDWCMYEUEEEB-OKZBNKHCSA-N	1	0	374.529	1.345	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CCCN(c3cc(C(=O)OC)ccn3)CC2)C1=O	ZINC000366843406	988812483	/nfs/dbraw/zinc/81/24/83/988812483.db2.gz	FXDXNLFIFCUXGQ-INIZCTEOSA-N	1	0	358.442	1.167	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H]2CCN(C(=O)Cc3ccccc3)C2)CC1	ZINC000367409860	988947897	/nfs/dbraw/zinc/94/78/97/988947897.db2.gz	JWGVHSXPEMVKKQ-IBGZPJMESA-N	1	0	370.497	1.780	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1C#N	ZINC000873662969	988953482	/nfs/dbraw/zinc/95/34/82/988953482.db2.gz	AROWMSLYUZFLCR-KBPBESRZSA-N	1	0	358.442	1.742	20	30		FDEDRO
Cc1ccc(C[NH+]2CCC(CNC(=O)NCC(=O)NCC#N)CC2)cc1	ZINC000367746977	988966098	/nfs/dbraw/zinc/96/60/98/988966098.db2.gz	QGRPXOMMYOQSQZ-UHFFFAOYSA-N	1	0	357.458	1.146	20	30		FDEDRO
N#Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1	ZINC000363163179	988966361	/nfs/dbraw/zinc/96/63/61/988966361.db2.gz	UBNUXFZLKGZDGZ-DOTOQJQBSA-N	1	0	353.382	1.909	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1	ZINC000367770400	988966990	/nfs/dbraw/zinc/96/69/90/988966990.db2.gz	OMHMHVUWXZKPPV-BBRMVZONSA-N	1	0	359.401	1.329	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)cc1C#N	ZINC000873679712	988980574	/nfs/dbraw/zinc/98/05/74/988980574.db2.gz	RGNAUFYBYSPJAK-UHFFFAOYSA-N	1	0	356.426	1.592	20	30		FDEDRO
C[C@@H]1C[C@@H](CNC(=O)N2CCN(C)[C@@H](C#N)C2)C[N@@H+]1Cc1ccccc1	ZINC000368707480	989005411	/nfs/dbraw/zinc/00/54/11/989005411.db2.gz	QVRHCHGBUDLAAA-NEWSRXKRSA-N	1	0	355.486	1.746	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](Cc3ccncc3)C2)CC1	ZINC000368774634	989008080	/nfs/dbraw/zinc/00/80/80/989008080.db2.gz	IUSDDAARHZSSGJ-WOJBJXKFSA-N	1	0	369.513	1.638	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000296179315	989016874	/nfs/dbraw/zinc/01/68/74/989016874.db2.gz	MUJGXSJSKUAEJC-GOOCMWNKSA-N	1	0	359.401	1.518	20	30		FDEDRO
N#Cc1ccc(C[C@H](C#N)C(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)cc1	ZINC000369101940	989025110	/nfs/dbraw/zinc/02/51/10/989025110.db2.gz	STKGZDMZFIECAS-AQNXPRMDSA-N	1	0	366.465	1.858	20	30		FDEDRO
N#CCCN(C(=O)CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccccc1	ZINC000369276593	989041667	/nfs/dbraw/zinc/04/16/67/989041667.db2.gz	BKLHUJQZMAITKJ-OALUTQOASA-N	1	0	356.470	1.464	20	30		FDEDRO
C[NH+](C)Cc1cc(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1F	ZINC000369337913	989045549	/nfs/dbraw/zinc/04/55/49/989045549.db2.gz	LORQYYLCVGZASE-QGZVFWFLSA-N	1	0	359.449	1.769	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1	ZINC000369513478	989057456	/nfs/dbraw/zinc/05/74/56/989057456.db2.gz	YTDMXRKBPOWDBO-SFHVURJKSA-N	1	0	373.501	1.757	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)CC1	ZINC000369594218	989061957	/nfs/dbraw/zinc/06/19/57/989061957.db2.gz	XQCQKODSLOFYIJ-GOSISDBHSA-N	1	0	373.522	1.886	20	30		FDEDRO
C[C@]1(C2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)NC(=O)NC1=O	ZINC000363498933	989248692	/nfs/dbraw/zinc/24/86/92/989248692.db2.gz	KMNFTMJJNCXVIP-LJQANCHMSA-N	1	0	369.425	1.197	20	30		FDEDRO
Cc1cc(F)c(C#N)cc1NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1	ZINC000873853120	989328466	/nfs/dbraw/zinc/32/84/66/989328466.db2.gz	NBSWIPSYAOETNY-UHFFFAOYSA-N	1	0	358.417	1.935	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cc(C#N)cn3C(C)(C)C)C[C@H]21	ZINC000363664495	989379171	/nfs/dbraw/zinc/37/91/71/989379171.db2.gz	JIXFEZKGTLJUSK-LSDHHAIUSA-N	1	0	357.458	1.606	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(F)c1C(C)(F)F	ZINC000873895785	989409431	/nfs/dbraw/zinc/40/94/31/989409431.db2.gz	DOKAEVIWHHYDCP-UHFFFAOYSA-N	1	0	355.360	1.947	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C(=O)C(F)(F)F)cc1	ZINC000873895878	989409776	/nfs/dbraw/zinc/40/97/76/989409776.db2.gz	GDTCALUQBJZTIL-UHFFFAOYSA-N	1	0	369.343	1.441	20	30		FDEDRO
C[N@H+](CCNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)Cc1ccc(F)cc1	ZINC000370067374	989429468	/nfs/dbraw/zinc/42/94/68/989429468.db2.gz	MXRRNZXTWVSPHW-GOSISDBHSA-N	1	0	359.449	1.639	20	30		FDEDRO
CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1	ZINC000364074882	989489093	/nfs/dbraw/zinc/48/90/93/989489093.db2.gz	ULYZICYAUKHTCR-OALUTQOASA-N	1	0	354.454	1.650	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)cc1C#N	ZINC000873949474	989512841	/nfs/dbraw/zinc/51/28/41/989512841.db2.gz	ZPPDRPMSRUNJNX-MRXNPFEDSA-N	1	0	374.441	1.075	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N(CCO)Cc1cc(OC)ccc1OC	ZINC000297504473	989552728	/nfs/dbraw/zinc/55/27/28/989552728.db2.gz	OLGLGXBRLSBBFM-UHFFFAOYSA-N	1	0	363.458	1.163	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CCC3(CC2)CC[NH+](C)CC3)c1	ZINC000874014202	989641758	/nfs/dbraw/zinc/64/17/58/989641758.db2.gz	YVMBNHDOYUNZTH-UHFFFAOYSA-N	1	0	369.465	1.972	20	30		FDEDRO
N#Cc1ccc(N2CCC[N@@H+](C[C@@H](O)COC3CCOCC3)CC2)cc1	ZINC000370346644	989677250	/nfs/dbraw/zinc/67/72/50/989677250.db2.gz	JPUDQOKCEXNGGL-LJQANCHMSA-N	1	0	359.470	1.627	20	30		FDEDRO
CN(C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[C@@H]1CCC[C@H]1C#N	ZINC000874052254	989677991	/nfs/dbraw/zinc/67/79/91/989677991.db2.gz	DDSVMQZLHSZABO-DOTOQJQBSA-N	1	0	369.469	1.528	20	30		FDEDRO
CO/N=C/c1ccc(C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1	ZINC000370425396	989734672	/nfs/dbraw/zinc/73/46/72/989734672.db2.gz	SHESTSGWOMXKEP-ORTNRGLGSA-N	1	0	358.486	1.907	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3OCC#N)CC[C@H]21	ZINC000874175603	989886274	/nfs/dbraw/zinc/88/62/74/989886274.db2.gz	XTHGYBNZDPSLEK-IUODEOHRSA-N	1	0	360.389	1.219	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCCOC(C)(C)C3)CC2)o1	ZINC000370667046	989925441	/nfs/dbraw/zinc/92/54/41/989925441.db2.gz	KIJJMRIFLKKEJP-UHFFFAOYSA-N	1	0	361.446	1.004	20	30		FDEDRO
N#Cc1cccc(-c2cc(C(=O)N[C@@H](CO)C[NH+]3CCCCC3)on2)c1	ZINC000298162851	989935762	/nfs/dbraw/zinc/93/57/62/989935762.db2.gz	DQLIDXVSPHCPQW-MRXNPFEDSA-N	1	0	354.410	1.790	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1	ZINC000370761212	989973675	/nfs/dbraw/zinc/97/36/75/989973675.db2.gz	VOXOFBPYGWOROI-IRXDYDNUSA-N	1	0	373.453	1.563	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3CC(C)C)[C@@H](O)C2)C1	ZINC000968679747	1015524296	/nfs/dbraw/zinc/52/42/96/1015524296.db2.gz	QEAWUHHJFROVHQ-IKGGRYGDSA-N	1	0	363.502	1.151	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2CC[NH+](C)CC2)s1	ZINC000874268258	990000967	/nfs/dbraw/zinc/00/09/67/990000967.db2.gz	IJPKHFZXUBJNBF-UHFFFAOYSA-N	1	0	371.528	1.213	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CCCN(c2ccncn2)C1)C(=O)Nc1cccc(C#N)c1	ZINC000370901056	990107150	/nfs/dbraw/zinc/10/71/50/990107150.db2.gz	VIJGKZDOQMWRKN-RHSMWYFYSA-N	1	0	350.426	1.934	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)[NH+](C)C	ZINC000298583533	990176517	/nfs/dbraw/zinc/17/65/17/990176517.db2.gz	FMITYLZIVRLPRJ-CYBMUJFWSA-N	1	0	367.409	1.750	20	30		FDEDRO
C[N@@H+]1CC[C@H]2OCCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)[C@@H]2C1	ZINC000298626232	990203775	/nfs/dbraw/zinc/20/37/75/990203775.db2.gz	VINMHMKSRRXSAF-HZPDHXFCSA-N	1	0	374.510	1.842	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cc1C#N	ZINC000874370703	990208062	/nfs/dbraw/zinc/20/80/62/990208062.db2.gz	ZTINZNRDOSPPKP-IAGOWNOFSA-N	1	0	370.453	1.979	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c(OC)c1	ZINC000365512478	990260276	/nfs/dbraw/zinc/26/02/76/990260276.db2.gz	LJIHGGVKXBGJJS-SFHVURJKSA-N	1	0	374.481	1.983	20	30		FDEDRO
C[C@@H]1CN(C(=O)COc2ccccc2C#N)CCN1C1CC[NH+](C)CC1	ZINC000371463798	990449907	/nfs/dbraw/zinc/44/99/07/990449907.db2.gz	LLRUGDZSGAWAIR-MRXNPFEDSA-N	1	0	356.470	1.564	20	30		FDEDRO
CCN1CCO[C@H](CN2CCN(Cc3ccc(C#N)cc3OC)CC2)C1	ZINC000371465971	990452556	/nfs/dbraw/zinc/45/25/56/990452556.db2.gz	KBISTQXTGRFODB-IBGZPJMESA-N	1	0	358.486	1.405	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc(=O)c(OC)co2)C1	ZINC000968719336	1015568009	/nfs/dbraw/zinc/56/80/09/1015568009.db2.gz	QVWDAQXVBJKGGF-UNEWFSDZSA-N	1	0	362.426	1.320	20	30		FDEDRO
C[C@H](C(=O)Nc1ccccc1C#N)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000371543514	990513376	/nfs/dbraw/zinc/51/33/76/990513376.db2.gz	MVWTVUOIJLUEMO-KDOFPFPSSA-N	1	0	369.469	1.299	20	30		FDEDRO
CC1(C#N)CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1	ZINC000371640840	990591388	/nfs/dbraw/zinc/59/13/88/990591388.db2.gz	APJBJKZYSWBOAL-UHFFFAOYSA-N	1	0	362.518	1.763	20	30		FDEDRO
C[C@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)n1cnc(C#N)n1	ZINC000409534964	990591721	/nfs/dbraw/zinc/59/17/21/990591721.db2.gz	LLTQGINOLJFVMF-OAHLLOKOSA-N	1	0	352.442	1.739	20	30		FDEDRO
CC(C)[NH+](CCNC(=O)N1CCN(c2ccc(C#N)nc2)CC1)C(C)C	ZINC000874988841	990682145	/nfs/dbraw/zinc/68/21/45/990682145.db2.gz	GIKBVEFECSBBTL-UHFFFAOYSA-N	1	0	358.490	1.904	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1	ZINC000875040917	990778420	/nfs/dbraw/zinc/77/84/20/990778420.db2.gz	ZBGQLRLXYCBALK-UHFFFAOYSA-N	1	0	352.523	1.237	20	30		FDEDRO
CN(CCc1cccc(C#N)c1)C(=O)NCC(C)(C)N1CC[NH+](C)CC1	ZINC000875046100	990785629	/nfs/dbraw/zinc/78/56/29/990785629.db2.gz	BGMFNIKFDLSOFV-UHFFFAOYSA-N	1	0	357.502	1.768	20	30		FDEDRO
CCCC[C@H](ON=C(C)C)C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000371870943	990789404	/nfs/dbraw/zinc/78/94/04/990789404.db2.gz	VUOWQISWPISLPK-SJORKVTESA-N	1	0	366.506	1.898	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C	ZINC000875059254	990805527	/nfs/dbraw/zinc/80/55/27/990805527.db2.gz	MWGDCPDGFMSXNE-IRXDYDNUSA-N	1	0	363.433	1.089	20	30		FDEDRO
C[C@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)n1cnc(C#N)n1	ZINC000409755347	990808862	/nfs/dbraw/zinc/80/88/62/990808862.db2.gz	XPPLOMORPRVQDT-NVXWUHKLSA-N	1	0	352.442	1.691	20	30		FDEDRO
N#Cc1cccc(/C=C/C(=O)N2CCN(CC[N@@H+]3CCCOCC3)CC2)c1	ZINC000372266544	990987166	/nfs/dbraw/zinc/98/71/66/990987166.db2.gz	GNGWYRWAHWTGBX-AATRIKPKSA-N	1	0	368.481	1.438	20	30		FDEDRO
Cc1oc(NC(=O)[C@H](C)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c(C#N)c1C	ZINC000372607783	991265376	/nfs/dbraw/zinc/26/53/76/991265376.db2.gz	WAYWOIPSULRQGI-DOTOQJQBSA-N	1	0	373.501	1.807	20	30		FDEDRO
N#CCCCOc1cccnc1NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000372721900	991398900	/nfs/dbraw/zinc/39/89/00/991398900.db2.gz	FDZWCDJFZYTGGI-CABCVRRESA-N	1	0	359.430	1.749	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO	ZINC000875477346	991608286	/nfs/dbraw/zinc/60/82/86/991608286.db2.gz	XWTSEADGYNRPIV-UXHICEINSA-N	1	0	373.497	1.871	20	30		FDEDRO
CN(C)C(NCc1ccccc1)=[NH+]C[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1	ZINC000372917799	991678666	/nfs/dbraw/zinc/67/86/66/991678666.db2.gz	KRFCKJBIBFFNES-QFBILLFUSA-N	1	0	368.485	1.647	20	30		FDEDRO
COc1cc(CNC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)ccc1C#N	ZINC000875594899	991779302	/nfs/dbraw/zinc/77/93/02/991779302.db2.gz	YSMATKGDNVYCFH-UHFFFAOYSA-N	1	0	372.469	1.821	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000875604848	991794027	/nfs/dbraw/zinc/79/40/27/991794027.db2.gz	SRTZEGYEWWQBHW-RBUKOAKNSA-N	1	0	371.481	1.264	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1Cc2cccnc2N2C[C@@H](OC)C[C@H]2C1	ZINC000875622453	991819562	/nfs/dbraw/zinc/81/95/62/991819562.db2.gz	IKVBPYKCWNCSIG-ROUUACIJSA-N	1	0	371.485	1.156	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@@H](O)C1	ZINC000964760625	1015662867	/nfs/dbraw/zinc/66/28/67/1015662867.db2.gz	CJCGLGGGFIQLLP-JJXSEGSLSA-N	1	0	351.491	1.007	20	30		FDEDRO
C#CCCN(CCOC)C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1	ZINC000875705245	991923867	/nfs/dbraw/zinc/92/38/67/991923867.db2.gz	XALXJOXDRXZMJS-LJQANCHMSA-N	1	0	371.481	1.184	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000875831543	992054295	/nfs/dbraw/zinc/05/42/95/992054295.db2.gz	HPMGDKQYPPVSTD-HOTGVXAUSA-N	1	0	353.507	1.711	20	30		FDEDRO
C=CCC[C@H](O)CN1CC[N@@H+](C[C@@H](O)CCC=C)C[C@@H]1c1cnn(C)c1	ZINC000373272306	992085626	/nfs/dbraw/zinc/08/56/26/992085626.db2.gz	FFMQKGPYYHERMR-SLFFLAALSA-N	1	0	362.518	1.733	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1ccc(OCC#N)cc1	ZINC000373354538	992180673	/nfs/dbraw/zinc/18/06/73/992180673.db2.gz	LOORRLAXDASARR-INIZCTEOSA-N	1	0	372.469	1.984	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000875914539	992186021	/nfs/dbraw/zinc/18/60/21/992186021.db2.gz	YAVOCOPBIFGYPJ-TZIWHRDSSA-N	1	0	373.497	1.693	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCC([N@@H+]3CC[C@@H](O)C3)CC1)C2	ZINC000876278665	992518910	/nfs/dbraw/zinc/51/89/10/992518910.db2.gz	HMWHCUFOCATNSM-PKOBYXMFSA-N	1	0	354.454	1.266	20	30		FDEDRO
C=CC[N@@H+](C)CCN(CC)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000411634711	992524473	/nfs/dbraw/zinc/52/44/73/992524473.db2.gz	APRUPWCRTMXXMV-UHFFFAOYSA-N	1	0	364.402	1.702	20	30		FDEDRO
C=CC[N@@H+](C)CCN(CC)[C@@H](C)C(=O)NC[C@@H]1COc2ccccc2O1	ZINC000411640474	992530532	/nfs/dbraw/zinc/53/05/32/992530532.db2.gz	KQJPGRVKNQXYKZ-DLBZAZTESA-N	1	0	361.486	1.771	20	30		FDEDRO
COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1cc(C#N)ccc1Cl	ZINC000876474698	992645577	/nfs/dbraw/zinc/64/55/77/992645577.db2.gz	GBFFMLDBIYCNCH-QGZVFWFLSA-N	1	0	351.834	1.631	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000876504147	992671623	/nfs/dbraw/zinc/67/16/23/992671623.db2.gz	VDEZRYABHDEOHR-FQEVSTJZSA-N	1	0	372.432	1.361	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CCCC[NH2+]2)s1	ZINC000876515153	992678743	/nfs/dbraw/zinc/67/87/43/992678743.db2.gz	LKTBKFRJFGHRGF-LBPRGKRZSA-N	1	0	357.501	1.013	20	30		FDEDRO
N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000411887374	992681420	/nfs/dbraw/zinc/68/14/20/992681420.db2.gz	CCKSQUMGJJBGKX-FGTMMUONSA-N	1	0	354.454	1.365	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1	ZINC000876581463	992717994	/nfs/dbraw/zinc/71/79/94/992717994.db2.gz	KEUDSHXYZSQQFA-OAHLLOKOSA-N	1	0	353.825	1.970	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c1	ZINC000964935968	1015732910	/nfs/dbraw/zinc/73/29/10/1015732910.db2.gz	RGRSDHJGBZZWAQ-ATZDWAIDSA-N	1	0	368.481	1.514	20	30		FDEDRO
CN1CCN(C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C[C@H]1C#N	ZINC000374276512	992749449	/nfs/dbraw/zinc/74/94/49/992749449.db2.gz	BRRMXEIFHDETIW-UYAOXDASSA-N	1	0	355.486	1.748	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCN(Cc2ccc(OC)cc2)C1=O	ZINC000876672112	992784517	/nfs/dbraw/zinc/78/45/17/992784517.db2.gz	STIUNCXBWYBDJX-GJZGRUSLSA-N	1	0	351.834	1.382	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](CN1CCOCC1)c1ccc(C)cc1	ZINC000876714462	992821180	/nfs/dbraw/zinc/82/11/80/992821180.db2.gz	YJGCMSYZZANWSD-SJORKVTESA-N	1	0	351.878	1.954	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](c1cccc(C)c1)N1CCOCC1	ZINC000876722446	992835727	/nfs/dbraw/zinc/83/57/27/992835727.db2.gz	UXFBQYCBJHHRDU-SJORKVTESA-N	1	0	351.878	1.954	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1	ZINC000876739594	992857527	/nfs/dbraw/zinc/85/75/27/992857527.db2.gz	DEWQNBFNNMAIBC-JKSUJKDBSA-N	1	0	355.841	1.785	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCn2c(CCc3ccccc3)nnc2C1	ZINC000876772044	992895282	/nfs/dbraw/zinc/89/52/82/992895282.db2.gz	FXBCRVCKTORWNZ-HNNXBMFYSA-N	1	0	359.861	1.875	20	30		FDEDRO
C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C#N)C(=O)NCC[NH+]1CCCCC1	ZINC000412320810	992908536	/nfs/dbraw/zinc/90/85/36/992908536.db2.gz	MANFFZZOPZRQQX-HZPDHXFCSA-N	1	0	372.469	1.432	20	30		FDEDRO
O=C(CC(F)(F)C(F)(F)F)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000876841785	992933794	/nfs/dbraw/zinc/93/37/94/992933794.db2.gz	WCUARABDVVOMCW-SSDOTTSWSA-N	1	0	357.245	1.526	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(C(=O)NCc2cccnc2)CC1	ZINC000876874703	992944487	/nfs/dbraw/zinc/94/44/87/992944487.db2.gz	JWXZCAINUHJQLB-OAHLLOKOSA-N	1	0	350.850	1.406	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC(=O)OC)Cc1cc(OC)cc(OC)c1	ZINC000876876026	992945453	/nfs/dbraw/zinc/94/54/53/992945453.db2.gz	IGAAFUNIIUSNQT-OAHLLOKOSA-N	1	0	370.833	1.675	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)N2CC[C@H](c3nccn3C)C2)c(F)c1	ZINC000375000309	992979717	/nfs/dbraw/zinc/97/97/17/992979717.db2.gz	IRQCRFMQQNBULK-LBPRGKRZSA-N	1	0	358.348	1.634	20	30		FDEDRO
CC(C)NC(=O)[C@@H]1CCCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876976075	992992741	/nfs/dbraw/zinc/99/27/41/992992741.db2.gz	MYLODAIAFCYLPZ-SJLPKXTDSA-N	1	0	354.454	1.508	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CC(=O)Nc1ccc2c(c1)OCCO2	ZINC000877113523	993054334	/nfs/dbraw/zinc/05/43/34/993054334.db2.gz	AKSUZSRWSSUUHQ-LBPRGKRZSA-N	1	0	353.806	1.325	20	30		FDEDRO
Cc1cc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c(C#N)cc1[N+](=O)[O-]	ZINC000413212508	993155789	/nfs/dbraw/zinc/15/57/89/993155789.db2.gz	XEQMUBQFPOMUSH-OAHLLOKOSA-N	1	0	357.414	1.518	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CCC(=O)NC2)C3)c1	ZINC001095522143	993193377	/nfs/dbraw/zinc/19/33/77/993193377.db2.gz	CZVWYSLTFBWYGQ-NQYYFHDYSA-N	1	0	366.465	1.696	20	30		FDEDRO
CCCN1C[C@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)CC1=O	ZINC000413273188	993206523	/nfs/dbraw/zinc/20/65/23/993206523.db2.gz	YIKKLYIEKXDLHA-GOSISDBHSA-N	1	0	356.470	1.707	20	30		FDEDRO
C=C(Cl)C[C@H](NC1CC[NH+](CCN2CCOCC2)CC1)C(=O)OCC	ZINC000877672023	993429316	/nfs/dbraw/zinc/42/93/16/993429316.db2.gz	UTMLAJFBECLOOK-KRWDZBQOSA-N	1	0	373.925	1.447	20	30		FDEDRO
C=CCn1c(-c2nnn(C)c2C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1	ZINC000651512100	1015781174	/nfs/dbraw/zinc/78/11/74/1015781174.db2.gz	KWDCRMUVPVHFIJ-HNNXBMFYSA-N	1	0	356.478	1.633	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H](O)CC1(CO)CCCC1	ZINC000878186024	993771942	/nfs/dbraw/zinc/77/19/42/993771942.db2.gz	QMYHQKBDVJLERE-JKSUJKDBSA-N	1	0	359.474	1.162	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000878501952	993988658	/nfs/dbraw/zinc/98/86/58/993988658.db2.gz	XESHKQZKXUJEBW-UHFFFAOYSA-N	1	0	357.458	1.811	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Cc2csc(S[C@H](C)C(N)=O)n2)CC1	ZINC000878750964	994193540	/nfs/dbraw/zinc/19/35/40/994193540.db2.gz	PMAFXSSSWYOTQI-LLVKDONJSA-N	1	0	368.528	1.418	20	30		FDEDRO
C[C@@H]1C[N@H+]([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)C[C@H](C)N1CC#N	ZINC000878773196	994215797	/nfs/dbraw/zinc/21/57/97/994215797.db2.gz	WOTBWACTOJWRML-YYAJDYIMSA-N	1	0	366.506	1.665	20	30		FDEDRO
Cc1ccc(N(CCC#N)C(=O)CN2CCC[C@@](O)(C[NH+](C)C)C2)cc1C	ZINC000878868153	994303145	/nfs/dbraw/zinc/30/31/45/994303145.db2.gz	NGHJUCWMAORKAJ-OAQYLSRUSA-N	1	0	372.513	1.939	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[N@H+](CCN2CCOCC2)[C@H]2CCSC2)cc1	ZINC000878872089	994308560	/nfs/dbraw/zinc/30/85/60/994308560.db2.gz	ZQABJVIWFCMGQI-RBUKOAKNSA-N	1	0	361.511	1.731	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c1	ZINC000965179290	1015873466	/nfs/dbraw/zinc/87/34/66/1015873466.db2.gz	HBNHTLKHFUJHCH-ATZDWAIDSA-N	1	0	368.481	1.514	20	30		FDEDRO
N#Cc1cccc(NC(=O)CC[N@H+]2CCc3c(CC(N)=O)cccc3C2)c1	ZINC000879231160	994675402	/nfs/dbraw/zinc/67/54/02/994675402.db2.gz	NATPKJAKQYUBLU-UHFFFAOYSA-N	1	0	362.433	1.973	20	30		FDEDRO
C=CCCC[C@H]1NC(=O)N(Cc2cccc(C(=O)NCC[NH+](C)C)c2)C1=O	ZINC000924541771	994804183	/nfs/dbraw/zinc/80/41/83/994804183.db2.gz	ORFDLIBLTONGLX-QGZVFWFLSA-N	1	0	372.469	1.755	20	30		FDEDRO
C=CCCC[C@@H]1NC(=O)N(Cc2cccc(C(=O)NCC[NH+](C)C)c2)C1=O	ZINC000924541770	994804839	/nfs/dbraw/zinc/80/48/39/994804839.db2.gz	ORFDLIBLTONGLX-KRWDZBQOSA-N	1	0	372.469	1.755	20	30		FDEDRO
CCOC(=O)C1CCN(C(=O)C[N@H+](C)CCc2cccc(C#N)c2)CC1	ZINC000879434550	994911200	/nfs/dbraw/zinc/91/12/00/994911200.db2.gz	KTFHGUWARXCNKU-UHFFFAOYSA-N	1	0	357.454	1.834	20	30		FDEDRO
CCOC(=O)N1CCN(C(=O)C[N@H+](C)CCc2cccc(C#N)c2)CC1	ZINC000879435071	994911614	/nfs/dbraw/zinc/91/16/14/994911614.db2.gz	VHZPVBJHDUQHCG-UHFFFAOYSA-N	1	0	358.442	1.333	20	30		FDEDRO
COc1ccc([C@H]2CN(CC(=O)N(CCC#N)CCC#N)CC[NH2+]2)cc1	ZINC000879521786	994974777	/nfs/dbraw/zinc/97/47/77/994974777.db2.gz	RIVWEOJNGPLTJA-GOSISDBHSA-N	1	0	355.442	1.297	20	30		FDEDRO
CC(C)(C)OC(=O)NCC[C@H](O)C[NH+]1CCN(c2ccc(C#N)cc2)CC1	ZINC000879586425	995050491	/nfs/dbraw/zinc/05/04/91/995050491.db2.gz	LYXXPEJHEQIBHD-SFHVURJKSA-N	1	0	374.485	1.956	20	30		FDEDRO
CC(C)[C@H]1CN(CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC[N@@H+]1C	ZINC000879601345	995072772	/nfs/dbraw/zinc/07/27/72/995072772.db2.gz	NMXGUHDRNLPEQE-DOTOQJQBSA-N	1	0	367.453	1.784	20	30		FDEDRO
N#Cc1c(NC(=O)CC[N@H+]2C[C@H](CO)[C@H](CO)C2)sc2c1CCCC2	ZINC000879692761	995186966	/nfs/dbraw/zinc/18/69/66/995186966.db2.gz	QLYIRZQYVNGEPK-BETUJISGSA-N	1	0	363.483	1.360	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2CC(=O)NCCC#N)C1	ZINC000879701105	995199437	/nfs/dbraw/zinc/19/94/37/995199437.db2.gz	PYWYUXACEMUNJM-LSDHHAIUSA-N	1	0	350.463	1.738	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2CC(=O)NCCC#N)C1	ZINC000879701104	995200057	/nfs/dbraw/zinc/20/00/57/995200057.db2.gz	PYWYUXACEMUNJM-HUUCEWRRSA-N	1	0	350.463	1.738	20	30		FDEDRO
C=CCCC[C@H]1NC(=O)N([C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1=O	ZINC000925103020	995291226	/nfs/dbraw/zinc/29/12/26/995291226.db2.gz	XQMSIXBTJSADHE-IAGOWNOFSA-N	1	0	364.490	1.060	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1	ZINC000879976562	995506306	/nfs/dbraw/zinc/50/63/06/995506306.db2.gz	WIFFQHASMRBNGX-FGTMMUONSA-N	1	0	365.518	1.543	20	30		FDEDRO
C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	ZINC000968962657	1015954731	/nfs/dbraw/zinc/95/47/31/1015954731.db2.gz	KYKYOHGRPCQORJ-OTWHNJEPSA-N	1	0	365.518	1.413	20	30		FDEDRO
C[C@@H]1[C@@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)CCN1Cc1ccccc1	ZINC000925414473	995575517	/nfs/dbraw/zinc/57/55/17/995575517.db2.gz	OEUFIFQZTULCPQ-RSBDWGPQSA-N	1	0	354.454	1.765	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)c1C	ZINC000880070684	995607341	/nfs/dbraw/zinc/60/73/41/995607341.db2.gz	KIYOZQVZWOLNIF-RBUKOAKNSA-N	1	0	370.497	1.691	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCNC(=O)CC23CCC3)c(OC)c1	ZINC000880172198	995707455	/nfs/dbraw/zinc/70/74/55/995707455.db2.gz	WOYKRVCMYLWDER-KRWDZBQOSA-N	1	0	374.481	1.908	20	30		FDEDRO
C[C@H]1CN(CCS(=O)(=O)c2ccc(C#N)cn2)CCN1c1cc[nH+]cc1	ZINC000880259731	995762371	/nfs/dbraw/zinc/76/23/71/995762371.db2.gz	HCPLROBPKPBBHW-HNNXBMFYSA-N	1	0	371.466	1.333	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ncc(C#N)cc1Cl)C2	ZINC000926168903	995954877	/nfs/dbraw/zinc/95/48/77/995954877.db2.gz	HTRASCPKBPNOFA-SZXPJGKVSA-N	1	0	362.861	1.816	20	30		FDEDRO
N#C[C@@H]1CCCN(C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)C1	ZINC000926169047	995954970	/nfs/dbraw/zinc/95/49/70/995954970.db2.gz	XETYVTGSSWORHP-INIZCTEOSA-N	1	0	357.458	1.738	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2	ZINC000926323008	996054759	/nfs/dbraw/zinc/05/47/59/996054759.db2.gz	YUFAQYAQFKJSFW-OAQYLSRUSA-N	1	0	355.482	1.988	20	30		FDEDRO
C=CCCN(OCc1ccccc1)C(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1	ZINC000926360352	996085867	/nfs/dbraw/zinc/08/58/67/996085867.db2.gz	KPKINHRQNBRBQE-AEFFLSMTSA-N	1	0	359.470	1.966	20	30		FDEDRO
Cc1cc(CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nn1C	ZINC000926369365	996092970	/nfs/dbraw/zinc/09/29/70/996092970.db2.gz	KXHFMCBQHXUPKV-UHFFFAOYSA-N	1	0	368.485	1.916	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)ccc1C1CC1	ZINC000887036626	996854620	/nfs/dbraw/zinc/85/46/20/996854620.db2.gz	KOTOMQLKTAYPCQ-ZDUSSCGKSA-N	1	0	362.380	1.735	20	30		FDEDRO
C#CCOCC[N@H+]1C[C@@H]2CC[C@H]1[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12	ZINC000887112109	996941603	/nfs/dbraw/zinc/94/16/03/996941603.db2.gz	HWBXHCPCDDVENC-CADBVGFASA-N	1	0	352.434	1.532	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1ccc(OC2CCCC2)nc1	ZINC000264087946	997399555	/nfs/dbraw/zinc/39/95/55/997399555.db2.gz	KACSORNVXUMXAB-UHFFFAOYSA-N	1	0	361.490	1.530	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCc2cccnc2N2CCOCC2)cc1	ZINC000264095077	997400904	/nfs/dbraw/zinc/40/09/04/997400904.db2.gz	MJPFQYXHQPZXAJ-UHFFFAOYSA-N	1	0	369.469	1.574	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NC[C@H]2CCN(CC(F)(F)F)C2)cc1OC	ZINC000264114822	997405106	/nfs/dbraw/zinc/40/51/06/997405106.db2.gz	SBSTUBIGDOZUNF-CYBMUJFWSA-N	1	0	374.407	1.992	20	30		FDEDRO
CCNC(=[NH2+])NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1	ZINC000264136094	997411756	/nfs/dbraw/zinc/41/17/56/997411756.db2.gz	ZQVIEJJNGWYUGS-UHFFFAOYSA-N	1	0	356.449	1.972	20	30		FDEDRO
C[C@]1(C#N)CN(C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)CCO1	ZINC000887672936	997630619	/nfs/dbraw/zinc/63/06/19/997630619.db2.gz	LHMSBXXKMLLQGC-FQEVSTJZSA-N	1	0	357.454	1.646	20	30		FDEDRO
C[C@@]1(C#N)CN(C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)CCO1	ZINC000887672937	997631098	/nfs/dbraw/zinc/63/10/98/997631098.db2.gz	LHMSBXXKMLLQGC-HXUWFJFHSA-N	1	0	357.454	1.646	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1cccc(COC(C)(C)C)c1	ZINC000264985833	997668481	/nfs/dbraw/zinc/66/84/81/997668481.db2.gz	NNPGXKPNGXEYEW-UHFFFAOYSA-N	1	0	362.518	1.999	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccc1)C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000265068566	997689154	/nfs/dbraw/zinc/68/91/54/997689154.db2.gz	VMIQYZHYXJOAEH-VXPUYCOJSA-N	1	0	370.453	1.493	20	30		FDEDRO
N#Cc1ccc([C@H]2CN(C(=O)C3C[NH+](C4CCOCC4)C3)CCO2)cc1	ZINC000887738465	997714045	/nfs/dbraw/zinc/71/40/45/997714045.db2.gz	AZAAJYBDBYKOQT-LJQANCHMSA-N	1	0	355.438	1.569	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1	ZINC000265234961	997726976	/nfs/dbraw/zinc/72/69/76/997726976.db2.gz	ZATNBNVLJKHCQV-IBGZPJMESA-N	1	0	370.497	1.620	20	30		FDEDRO
C[NH+]=C(NCCN1CCN(C(=O)OC(C)(C)C)CC1)NCc1ccco1	ZINC000103337557	998141396	/nfs/dbraw/zinc/14/13/96/998141396.db2.gz	BJWUQIWIKTXCFN-UHFFFAOYSA-N	1	0	365.478	1.497	20	30		FDEDRO
[NH2+]=C(NCCC(=O)N1CCN(c2ccccn2)CC1)NC1CCCCC1	ZINC000104183359	998315516	/nfs/dbraw/zinc/31/55/16/998315516.db2.gz	YTSANTUUKIXUJT-UHFFFAOYSA-N	1	0	358.490	1.357	20	30		FDEDRO
C=CCOc1cc(OC)ccc1C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000889760835	998612600	/nfs/dbraw/zinc/61/26/00/998612600.db2.gz	IDWGOKWTDUSSEH-ROUUACIJSA-N	1	0	360.454	1.931	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(CC#N)n1)c1cccs1	ZINC000889762957	998616839	/nfs/dbraw/zinc/61/68/39/998616839.db2.gz	RLVOQBKENJJGBU-CYBMUJFWSA-N	1	0	357.439	1.567	20	30		FDEDRO
N#CCn1c(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cc2ccccc21	ZINC000889768107	998626423	/nfs/dbraw/zinc/62/64/23/998626423.db2.gz	CNCOFHUNCNMGJL-ZWKOTPCHSA-N	1	0	352.438	1.836	20	30		FDEDRO
CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)Nc1cccc(CC#N)n1	ZINC000889814839	998684460	/nfs/dbraw/zinc/68/44/60/998684460.db2.gz	QCXHHHPZOLKDEH-UHFFFAOYSA-N	1	0	359.474	1.913	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCC[N@H+]2CCC(C)(C)C2)cc1	ZINC000890082148	998809543	/nfs/dbraw/zinc/80/95/43/998809543.db2.gz	ROEXKOQFAOYGMY-UHFFFAOYSA-N	1	0	365.499	1.613	20	30		FDEDRO
C[C@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000890153098	998847498	/nfs/dbraw/zinc/84/74/98/998847498.db2.gz	YFIBZCZCYNMFIF-QAPCUYQASA-N	1	0	369.469	1.670	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)N[C@@](C)(CO)Cc2ccccc2OC)C1	ZINC000890361380	998913439	/nfs/dbraw/zinc/91/34/39/998913439.db2.gz	POAXYUAXFGCHHV-FXAWDEMLSA-N	1	0	359.470	1.386	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1	ZINC000890376994	998921348	/nfs/dbraw/zinc/92/13/48/998921348.db2.gz	FPJGEZQAZXCOBM-KRWDZBQOSA-N	1	0	358.486	1.983	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)n1	ZINC000890390981	998927082	/nfs/dbraw/zinc/92/70/82/998927082.db2.gz	QMVANJXVDWAVEE-UHFFFAOYSA-N	1	0	355.442	1.324	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnoc1-c1cnn(C)c1)C2	ZINC001110845613	999023534	/nfs/dbraw/zinc/02/35/34/999023534.db2.gz	PRHACPSNEWPIAN-OIISXLGYSA-N	1	0	371.441	1.613	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCCC1(F)F)C2	ZINC001110848167	999031284	/nfs/dbraw/zinc/03/12/84/999031284.db2.gz	MVMCOITYHIWPLG-TUVASFSCSA-N	1	0	353.413	1.283	20	30		FDEDRO
C=CCOCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)C(=O)NCC(C)C)C2	ZINC001111662416	999105750	/nfs/dbraw/zinc/10/57/50/999105750.db2.gz	WMLNHCHCAHCRGO-BXWFABGCSA-N	1	0	351.491	1.320	20	30		FDEDRO
Cc1cnc(CON=C(N)CCN2CC[NH+](Cc3ccccc3)CC2)o1	ZINC000266244941	999135496	/nfs/dbraw/zinc/13/54/96/999135496.db2.gz	ALNXGOIOCSIYML-UHFFFAOYSA-N	1	0	357.458	1.980	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2	ZINC000266708140	999216874	/nfs/dbraw/zinc/21/68/74/999216874.db2.gz	PZHDWNZYKNBZEH-SLEUVZQESA-N	1	0	374.441	1.847	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)NCCCCC[NH+]1CCCCC1	ZINC000266804071	999236611	/nfs/dbraw/zinc/23/66/11/999236611.db2.gz	DJOUFCISXRABEW-HNENSFHCSA-N	1	0	362.474	1.675	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)N1CCC[C@H]1C[NH+]1CCCCC1	ZINC000266832612	999242797	/nfs/dbraw/zinc/24/27/97/999242797.db2.gz	MEZIBUGAZAZJBI-IJYGLTAASA-N	1	0	360.458	1.380	20	30		FDEDRO
C[C@H]1C(=O)Nc2cc(C(=O)N(CCC#N)CCC[NH+](C)C)ccc2N1C	ZINC000267340545	999315632	/nfs/dbraw/zinc/31/56/32/999315632.db2.gz	JUGJGNHOZRSQQT-AWEZNQCLSA-N	1	0	357.458	1.771	20	30		FDEDRO
N#Cc1c(N)n(-c2ccc(F)cc2)nc1CCCNC(=[NH2+])N1CCOCC1	ZINC000267413004	999328647	/nfs/dbraw/zinc/32/86/47/999328647.db2.gz	ISLGNTREFWUHBF-UHFFFAOYSA-N	1	0	371.420	1.045	20	30		FDEDRO
COc1cccc([C@H](O)CNC(=[NH2+])NCc2ccc(OC)c(OC)c2)c1	ZINC000267437756	999335593	/nfs/dbraw/zinc/33/55/93/999335593.db2.gz	OFVOBIVFUDPCKI-MRXNPFEDSA-N	1	0	359.426	1.850	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000267472988	999344901	/nfs/dbraw/zinc/34/49/01/999344901.db2.gz	XWRFMFYJAWBJDK-QGZVFWFLSA-N	1	0	357.454	1.562	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000267749659	999388918	/nfs/dbraw/zinc/38/89/18/999388918.db2.gz	HGUFSNZNNVYLRZ-UHFFFAOYSA-N	1	0	361.402	1.019	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000268072790	999423521	/nfs/dbraw/zinc/42/35/21/999423521.db2.gz	AVYMTDXUZHPUIQ-BFYDXBDKSA-N	1	0	369.473	1.195	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000268072796	999423639	/nfs/dbraw/zinc/42/36/39/999423639.db2.gz	AVYMTDXUZHPUIQ-VYDXJSESSA-N	1	0	369.473	1.195	20	30		FDEDRO
C[C@@H](O)C[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)c1ccccc1	ZINC000268460602	999440076	/nfs/dbraw/zinc/44/00/76/999440076.db2.gz	UHWZZSFTRDAGOH-AEFFLSMTSA-N	1	0	368.485	1.468	20	30		FDEDRO
CCOC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C)C2)cc1C#N	ZINC000269855059	999476435	/nfs/dbraw/zinc/47/64/35/999476435.db2.gz	YSTGOIPBBXFKQD-LBPRGKRZSA-N	1	0	373.413	1.133	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCc3ccc(C#N)cc32)CC1=O	ZINC000270147345	999519027	/nfs/dbraw/zinc/51/90/27/999519027.db2.gz	AAOOOWCUYNRASJ-QZTJIDSGSA-N	1	0	366.465	1.780	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1	ZINC000270233244	999528194	/nfs/dbraw/zinc/52/81/94/999528194.db2.gz	MMNJIXHZIXUEEW-KRWDZBQOSA-N	1	0	369.465	1.827	20	30		FDEDRO
C=CCCOCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000270241477	999529566	/nfs/dbraw/zinc/52/95/66/999529566.db2.gz	JPLAXOGJCSNSQO-MOPGFXCFSA-N	1	0	361.486	1.761	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)nn1CCC#N	ZINC000271003544	999647787	/nfs/dbraw/zinc/64/77/87/999647787.db2.gz	CFYSTTREWFXBQN-MRXNPFEDSA-N	1	0	372.473	1.521	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCCCCCCC[NH+](C)C)nn1CCC#N	ZINC000271064612	999655383	/nfs/dbraw/zinc/65/53/83/999655383.db2.gz	MEFZBDHCLJKSQA-UHFFFAOYSA-N	1	0	362.478	1.672	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)nn1CCC#N	ZINC000271094361	999660259	/nfs/dbraw/zinc/66/02/59/999660259.db2.gz	VVQGIQNRVNHFLH-RBSFLKMASA-N	1	0	374.489	1.526	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000271504730	999707075	/nfs/dbraw/zinc/70/70/75/999707075.db2.gz	HAWGSINSFFTLIT-UHFFFAOYSA-N	1	0	367.453	1.971	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)NCc1cccc(C#N)c1)c1ccccc1	ZINC000283178880	999744032	/nfs/dbraw/zinc/74/40/32/999744032.db2.gz	DUCVUIOFECSJKA-GOSISDBHSA-N	1	0	350.422	1.594	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCn2cnc3ccccc32)CC1	ZINC000283576611	999757546	/nfs/dbraw/zinc/75/75/46/999757546.db2.gz	QQOMVIDEHPHLCZ-UHFFFAOYSA-N	1	0	369.469	1.309	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1)c1ccc(C#N)cc1	ZINC000283978033	999763614	/nfs/dbraw/zinc/76/36/14/999763614.db2.gz	LXZCKDPQAUCNIW-INIZCTEOSA-N	1	0	364.449	1.984	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CCCOC1)C(C)C	ZINC000284030443	999774121	/nfs/dbraw/zinc/77/41/21/999774121.db2.gz	LNSYDFFCPHFUKO-MSOLQXFVSA-N	1	0	365.518	1.686	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@@H](C)c1cnn(C)c1)C(C)C	ZINC000284084721	999776289	/nfs/dbraw/zinc/77/62/89/999776289.db2.gz	OQKLDRPFVZWLMQ-RDJZCZTQSA-N	1	0	361.490	1.412	20	30		FDEDRO
COc1ccc([C@H](CNC(=O)C(=O)NCCCCC#N)[NH+]2CCCC2)cc1	ZINC000284341870	999811146	/nfs/dbraw/zinc/81/11/46/999811146.db2.gz	KGHUWCSYGVOAQW-SFHVURJKSA-N	1	0	372.469	1.758	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C	ZINC000285076237	999900549	/nfs/dbraw/zinc/90/05/49/999900549.db2.gz	MCMBQRJNPPCHGA-QRVBRYPASA-N	1	0	373.497	1.811	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N3CCO[C@@H]4CC[N@@H+](C)C[C@H]43)CC2)o1	ZINC000285925019	999926215	/nfs/dbraw/zinc/92/62/15/999926215.db2.gz	URSMFJIAPZRALR-IAGOWNOFSA-N	1	0	373.457	1.003	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cccc(C)c3)CC2)CC1	ZINC000286360218	999943970	/nfs/dbraw/zinc/94/39/70/999943970.db2.gz	BWSTZRURLZMLRX-UHFFFAOYSA-N	1	0	370.497	1.410	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)C2Cc3ccccc3C2)CC1	ZINC000286439512	999944502	/nfs/dbraw/zinc/94/45/02/999944502.db2.gz	GYNSSFZRZPPCOI-UHFFFAOYSA-N	1	0	355.482	1.769	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)Cc2ccc(OC)cc2)CC1	ZINC000286664357	999945863	/nfs/dbraw/zinc/94/58/63/999945863.db2.gz	OASMHDOHBHQJDR-MRXNPFEDSA-N	1	0	373.497	1.757	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCc2cccc(C#N)c2)CC1	ZINC000466814190	999949767	/nfs/dbraw/zinc/94/97/67/999949767.db2.gz	HDYAMXUFJBMNFI-UHFFFAOYSA-N	1	0	371.485	1.296	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(CCC)CCc2ccccn2)CC1	ZINC000286801156	999951073	/nfs/dbraw/zinc/95/10/73/999951073.db2.gz	UWUSSHYSFKFXOK-UHFFFAOYSA-N	1	0	358.486	1.629	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C	ZINC000287287793	999956219	/nfs/dbraw/zinc/95/62/19/999956219.db2.gz	JXHKFLCGASIBNC-NVXWUHKLSA-N	1	0	359.470	1.666	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1	ZINC000287304227	999956497	/nfs/dbraw/zinc/95/64/97/999956497.db2.gz	KPDIKRYWVPJUHQ-ZWKOTPCHSA-N	1	0	371.481	1.810	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)NC[C@H]1CC[N@@H+](CCC)C1	ZINC000287414279	999957406	/nfs/dbraw/zinc/95/74/06/999957406.db2.gz	QJBZGXJEVFMYJX-MRXNPFEDSA-N	1	0	359.470	1.716	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C	ZINC000287659855	999959151	/nfs/dbraw/zinc/95/91/51/999959151.db2.gz	BJHGYQVIHCFGBK-GOEBONIOSA-N	1	0	373.428	1.861	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)nn1CCC#N	ZINC000288016445	999982798	/nfs/dbraw/zinc/98/27/98/999982798.db2.gz	CEPLNJJYLFDRRL-HUUCEWRRSA-N	1	0	358.446	1.129	20	30		FDEDRO
C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000288031621	999984397	/nfs/dbraw/zinc/98/43/97/999984397.db2.gz	IHBAERUXCWUSLS-DZGCQCFKSA-N	1	0	372.473	1.533	20	30		FDEDRO
N#CCC(=O)N1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1	ZINC000288164310	999992667	/nfs/dbraw/zinc/99/26/67/999992667.db2.gz	PNRHHVUKDQLOAN-UHFFFAOYSA-N	1	0	354.454	1.483	20	30		FDEDRO
C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000288205338	999996757	/nfs/dbraw/zinc/99/67/57/999996757.db2.gz	PUHGXTNUZZDHJM-ZFWWWQNUSA-N	1	0	372.473	1.533	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCCC)cc1	ZINC000288943749	1000061764	/nfs/dbraw/zinc/06/17/64/1000061764.db2.gz	XXFJMTIOUMUYIA-HNNXBMFYSA-N	1	0	374.485	1.778	20	30		FDEDRO
C[N@H+](C[C@@H](O)CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C1CC1	ZINC000289283159	1000087676	/nfs/dbraw/zinc/08/76/76/1000087676.db2.gz	ADPGOESKTLCRHR-OAHLLOKOSA-N	1	0	371.441	1.383	20	30		FDEDRO
C=CCn1c(CC2CC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1	ZINC000289721581	1000115317	/nfs/dbraw/zinc/11/53/17/1000115317.db2.gz	PLNWKZSIBZZATO-UHFFFAOYSA-N	1	0	372.517	1.551	20	30		FDEDRO
C=CCn1c(-c2cccnc2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1	ZINC000290423741	1000136993	/nfs/dbraw/zinc/13/69/93/1000136993.db2.gz	QDAWJVGSTMDUDZ-SFHVURJKSA-N	1	0	367.501	1.742	20	30		FDEDRO
C[C@@H](CCNC(=O)C(=O)N(C)Cc1ccc(C#N)cc1)[NH+]1CCCCC1	ZINC000290528786	1000142769	/nfs/dbraw/zinc/14/27/69/1000142769.db2.gz	OBOPVFXQRXZLHR-INIZCTEOSA-N	1	0	356.470	1.897	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CCC([NH+](CCOC)CCOC)CC1	ZINC000291148416	1000171715	/nfs/dbraw/zinc/17/17/15/1000171715.db2.gz	XDPKTWRJEXCXRR-UHFFFAOYSA-N	1	0	358.482	1.796	20	30		FDEDRO
C=C[C@H](CO)NC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1	ZINC000291271106	1000178826	/nfs/dbraw/zinc/17/88/26/1000178826.db2.gz	MZFCPTJVYLTIGA-GDBMZVCRSA-N	1	0	364.465	1.875	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1	ZINC000927876780	1001171271	/nfs/dbraw/zinc/17/12/71/1001171271.db2.gz	QNRXDFQFWUWTKK-QGZVFWFLSA-N	1	0	373.453	1.546	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CCO[C@H]2CNC(=O)OC(C)(C)C)CC1	ZINC000928649393	1001607242	/nfs/dbraw/zinc/60/72/42/1001607242.db2.gz	JPRZSYBWYMCPLH-HOTGVXAUSA-N	1	0	365.474	1.130	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H](F)C2CN(C(=O)OC(C)(C)C)C2)CC1	ZINC000928651015	1001608330	/nfs/dbraw/zinc/60/83/30/1001608330.db2.gz	JTPMKUCFPGZDPN-OAHLLOKOSA-N	1	0	353.438	1.405	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC1	ZINC000928653302	1001610624	/nfs/dbraw/zinc/61/06/24/1001610624.db2.gz	HQUXUUMVRXMQFV-INIZCTEOSA-N	1	0	363.255	1.966	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CN2C(=O)N[C@]3(CCCC(C)(C)C3)C2=O)CC1	ZINC000928655208	1001611246	/nfs/dbraw/zinc/61/12/46/1001611246.db2.gz	SAGXYBOHGPFALA-FQEVSTJZSA-N	1	0	374.485	1.091	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CCCOc2ccc3c(c2)CCC(=O)N3)CC1	ZINC000928657155	1001612581	/nfs/dbraw/zinc/61/25/81/1001612581.db2.gz	PMHHRFYBCGYZQV-UHFFFAOYSA-N	1	0	369.465	1.944	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)CC1	ZINC000928658824	1001613909	/nfs/dbraw/zinc/61/39/09/1001613909.db2.gz	UCEVMMKFOGTHKQ-MRXNPFEDSA-N	1	0	373.884	1.902	20	30		FDEDRO
C[N@@H+]1CCC[C@](O)(CC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)C1	ZINC000928715475	1001634228	/nfs/dbraw/zinc/63/42/28/1001634228.db2.gz	DSTRLCHRBGJOMR-APWZRJJASA-N	1	0	357.458	1.203	20	30		FDEDRO
Cc1cc(C#N)nc(N2CCC[C@@](C)(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001110964221	1001826829	/nfs/dbraw/zinc/82/68/29/1001826829.db2.gz	ZWXRAVRIHULWAH-MDYRTPRTSA-N	1	0	370.501	1.720	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCC1(c2ccccc2)CCC1)C1CC[NH+](C)CC1	ZINC000929275857	1001890295	/nfs/dbraw/zinc/89/02/95/1001890295.db2.gz	FDYHMYWBHKJJIF-UHFFFAOYSA-N	1	0	367.493	1.781	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C	ZINC000947969007	1001990773	/nfs/dbraw/zinc/99/07/73/1001990773.db2.gz	YABXIANIPVIVTJ-ATZDWAIDSA-N	1	0	353.466	1.268	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1CCC(NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1	ZINC000948203868	1002175384	/nfs/dbraw/zinc/17/53/84/1002175384.db2.gz	TWFFRVBBZNOMER-IDHHARJASA-N	1	0	351.491	1.415	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)Cc1cc(C#N)cs1	ZINC000929695179	1002354940	/nfs/dbraw/zinc/35/49/40/1002354940.db2.gz	MCIXQQJHGNUIBM-KGLIPLIRSA-N	1	0	362.499	1.815	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)CC1	ZINC000929795791	1002452904	/nfs/dbraw/zinc/45/29/04/1002452904.db2.gz	WGZCQJIIQNKSIY-UHFFFAOYSA-N	1	0	369.425	1.304	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](c2ccncc2)C2CC2)CC1	ZINC000930009590	1002733362	/nfs/dbraw/zinc/73/33/62/1002733362.db2.gz	WFTRKQAAEOULRT-SFHVURJKSA-N	1	0	356.470	1.806	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccc(OCCC(=O)NC)cc2)CC1	ZINC000930236332	1002955351	/nfs/dbraw/zinc/95/53/51/1002955351.db2.gz	LOPFAYQTVRNRAB-UHFFFAOYSA-N	1	0	358.442	1.421	20	30		FDEDRO
CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1ccncc1)CCO2	ZINC000949098723	1002987851	/nfs/dbraw/zinc/98/78/51/1002987851.db2.gz	AZTCREOZAIIBJP-RBUKOAKNSA-N	1	0	353.466	1.902	20	30		FDEDRO
C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCNC(C)=O)CC1	ZINC001110988165	1003083905	/nfs/dbraw/zinc/08/39/05/1003083905.db2.gz	SJROCCOGDUFPPE-KURKYZTESA-N	1	0	363.502	1.607	20	30		FDEDRO
CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)NCC#CC[NH+](C)C)c1	ZINC000930412902	1003097225	/nfs/dbraw/zinc/09/72/25/1003097225.db2.gz	WYHQAWURZUNIQB-CQSZACIVSA-N	1	0	366.487	1.450	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCOC2(CC[NH+](CCOC)CC2)C1	ZINC000949209575	1003103565	/nfs/dbraw/zinc/10/35/65/1003103565.db2.gz	IZSBZKHPGWFKEQ-IRXDYDNUSA-N	1	0	352.475	1.307	20	30		FDEDRO
COC(=O)[C@@H]1C[N@H+](C[C@H](O)CC#N)C[C@H]1c1ccc(Br)cc1	ZINC000930760426	1003480164	/nfs/dbraw/zinc/48/01/64/1003480164.db2.gz	JHMRVIXUYCFIMI-QLFBSQMISA-N	1	0	367.243	1.912	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H]1CCCC12CCOCC2)C1CC[NH+](C)CC1	ZINC000930783780	1003499370	/nfs/dbraw/zinc/49/93/70/1003499370.db2.gz	XETDWVVDSIRNKF-QGZVFWFLSA-N	1	0	361.486	1.008	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)C2(C#N)CCSCC2)CC1	ZINC000930799080	1003518122	/nfs/dbraw/zinc/51/81/22/1003518122.db2.gz	ZCSOQRWJQWKDLZ-UHFFFAOYSA-N	1	0	359.499	1.487	20	30		FDEDRO
CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000190153864	1003527144	/nfs/dbraw/zinc/52/71/44/1003527144.db2.gz	ZDHLSYHATQSUFG-UHFFFAOYSA-N	1	0	364.421	1.857	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O	ZINC000777941237	1003541717	/nfs/dbraw/zinc/54/17/17/1003541717.db2.gz	QNGRERHRZGJJBZ-CQSZACIVSA-N	1	0	354.237	1.828	20	30		FDEDRO
C[N@@H+]1CCCC[C@H](CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1	ZINC000930853510	1003587134	/nfs/dbraw/zinc/58/71/34/1003587134.db2.gz	UQLGHEMUYMPZDR-CQSZACIVSA-N	1	0	353.430	1.992	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H](C1CC1)[C@@H]1CCCCO1)C1CC[NH+](C)CC1	ZINC000930950102	1003699712	/nfs/dbraw/zinc/69/97/12/1003699712.db2.gz	MUQDZZBLPOIQTG-ZWKOTPCHSA-N	1	0	361.486	1.006	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC(=O)NC(C)C)C2	ZINC001111294231	1003701144	/nfs/dbraw/zinc/70/11/44/1003701144.db2.gz	QKUHAYQHZSUBRS-ZACQAIPSSA-N	1	0	351.491	1.605	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1	ZINC000930957810	1003715523	/nfs/dbraw/zinc/71/55/23/1003715523.db2.gz	GCVAQBVHCMCYOG-IRXDYDNUSA-N	1	0	358.417	1.447	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)C3(C)CCCC3)C2)CC1	ZINC000949862088	1003756520	/nfs/dbraw/zinc/75/65/20/1003756520.db2.gz	IUXYCSZNOQOVRZ-SJLPKXTDSA-N	1	0	359.514	1.875	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3ncccc3C)C2)CC1	ZINC000949864753	1003759034	/nfs/dbraw/zinc/75/90/34/1003759034.db2.gz	GOBFUFWKRCFDMK-SJLPKXTDSA-N	1	0	368.481	1.312	20	30		FDEDRO
C=C[C@H](CO)[NH2+]C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2	ZINC000931067153	1003841987	/nfs/dbraw/zinc/84/19/87/1003841987.db2.gz	MDHSMSDVUSGJDS-HUUCEWRRSA-N	1	0	358.360	1.304	20	30		FDEDRO
Cc1ccc(NC(=O)NCC#CC[NH+](C)C)cc1C(=O)N1CCOCC1	ZINC000931105506	1003892225	/nfs/dbraw/zinc/89/22/25/1003892225.db2.gz	TVNMHOYIUUUMSO-UHFFFAOYSA-N	1	0	358.442	1.154	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H](C1CCC1)[C@H]1CCCO1)C1CC[NH+](C)CC1	ZINC000931129916	1003910727	/nfs/dbraw/zinc/91/07/27/1003910727.db2.gz	ZISOWBQRHMKVFF-QZTJIDSGSA-N	1	0	361.486	1.006	20	30		FDEDRO
C#CC1(O)CC[NH+]([C@@H](C)C(=O)N(C)C[C@@H]2COc3ccccc3O2)CC1	ZINC000931143953	1003921546	/nfs/dbraw/zinc/92/15/46/1003921546.db2.gz	NIMCKXKFMNQVPG-JKSUJKDBSA-N	1	0	358.438	1.133	20	30		FDEDRO
C#CC1(O)CCN([C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000931148074	1003924100	/nfs/dbraw/zinc/92/41/00/1003924100.db2.gz	PVCSZANRSMCZOZ-PKOBYXMFSA-N	1	0	355.482	1.226	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)CC1	ZINC000931431925	1004153789	/nfs/dbraw/zinc/15/37/89/1004153789.db2.gz	GJJHVOWFQYLQGO-UHFFFAOYSA-N	1	0	373.432	1.965	20	30		FDEDRO
Cc1cc(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c(C#N)cc1N(C)C	ZINC000931446911	1004170832	/nfs/dbraw/zinc/17/08/32/1004170832.db2.gz	WZFPQRWHJBTWDQ-MSOLQXFVSA-N	1	0	371.485	1.996	20	30		FDEDRO
N#Cc1ncn(CC[NH2+]Cc2ccccc2I)n1	ZINC000796497446	1016856060	/nfs/dbraw/zinc/85/60/60/1016856060.db2.gz	KKCHLIXUYIPHAJ-UHFFFAOYSA-N	1	0	353.167	1.544	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[NH+](CCCCCO)CC1	ZINC000931499934	1004219400	/nfs/dbraw/zinc/21/94/00/1004219400.db2.gz	HVJOPZIJWOWDPW-KRWDZBQOSA-N	1	0	350.507	1.498	20	30		FDEDRO
CC(C)(C)NC(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000932438458	1004958519	/nfs/dbraw/zinc/95/85/19/1004958519.db2.gz	XGUKZDAARDXGNS-SJLPKXTDSA-N	1	0	359.470	1.871	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1C#N	ZINC000932473849	1004976925	/nfs/dbraw/zinc/97/69/25/1004976925.db2.gz	QJCKSUKSEYIRBJ-ZBFHGGJFSA-N	1	0	356.470	1.720	20	30		FDEDRO
C=CC1(CC(=O)NC[C@H]2C[N@@H+](C)CCN2C)CN(C(=O)OC(C)(C)C)C1	ZINC000932527428	1005001870	/nfs/dbraw/zinc/00/18/70/1005001870.db2.gz	WRVJNULDJZUKKP-HNNXBMFYSA-N	1	0	366.506	1.162	20	30		FDEDRO
C=CCNC(=O)C[NH+]1CCC2(CO[C@H](CNC(=O)OC(C)(C)C)C2)CC1	ZINC000932673235	1005084911	/nfs/dbraw/zinc/08/49/11/1005084911.db2.gz	DKQBEXUOCTVLNH-HNNXBMFYSA-N	1	0	367.490	1.684	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH+]2CCC([C@@H]3COC(=O)N3)CC2)cc1	ZINC000932770830	1005159680	/nfs/dbraw/zinc/15/96/80/1005159680.db2.gz	NLEGMHZUOSUBGP-AEFFLSMTSA-N	1	0	359.426	1.313	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)N[C@H]([C@@H]1CCOC1)C(F)(F)F	ZINC000933009591	1005314084	/nfs/dbraw/zinc/31/40/84/1005314084.db2.gz	IMFRYNJZACDHNY-CHWSQXEVSA-N	1	0	350.385	1.831	20	30		FDEDRO
C[C@](CO)(Cc1ccc(F)cc1)[NH2+]C[C@@H](O)CC1(C#N)CCOCC1	ZINC000933445916	1005558697	/nfs/dbraw/zinc/55/86/97/1005558697.db2.gz	RHBOIBZZDZEJEG-ZWKOTPCHSA-N	1	0	350.434	1.780	20	30		FDEDRO
CC(C)(C)OC(=O)NCC[C@@H](O)C[NH+]1CCC2(CC1)CC(=O)C=CO2	ZINC000933648334	1005598210	/nfs/dbraw/zinc/59/82/10/1005598210.db2.gz	XTDITGHMUQNBHC-OAHLLOKOSA-N	1	0	354.447	1.600	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CN(CC(=O)[C@@H](C#N)c3nc4ccccc4c(=O)[nH]3)C[C@]2(C)C1	ZINC000933736345	1005624656	/nfs/dbraw/zinc/62/46/56/1005624656.db2.gz	UPRDOGNYBUEGEZ-RCDCFZSISA-N	1	0	365.437	1.395	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCN(C)CC[N@H+](C)CC1	ZINC000933995154	1005675544	/nfs/dbraw/zinc/67/55/44/1005675544.db2.gz	ZGMYHTUEEMGYEK-SFHVURJKSA-N	1	0	357.502	1.501	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCN(C)CC[N@@H+](C)CC2)c1	ZINC000933997503	1005676627	/nfs/dbraw/zinc/67/66/27/1005676627.db2.gz	LWVMUIHONQXPDH-UHFFFAOYSA-N	1	0	371.529	1.729	20	30		FDEDRO
C#CCN(C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])C1CC1	ZINC000934039785	1005679721	/nfs/dbraw/zinc/67/97/21/1005679721.db2.gz	DQPHDHSUUCMAGU-UHFFFAOYSA-N	1	0	357.414	1.976	20	30		FDEDRO
CCOC(=O)N1CCC([C@H](C)[NH2+]CC(=O)N(CC)C[C@H](C)C#N)CC1	ZINC000778228266	1005709517	/nfs/dbraw/zinc/70/95/17/1005709517.db2.gz	XPZGXMYWRDGEPO-CABCVRRESA-N	1	0	352.479	1.841	20	30		FDEDRO
CCOC(=O)N1CCC([C@H](C)[NH2+]CC(=O)N(CCC#N)CCC#N)CC1	ZINC000778236758	1005734017	/nfs/dbraw/zinc/73/40/17/1005734017.db2.gz	SMMNNJAMQUJWOT-HNNXBMFYSA-N	1	0	363.462	1.489	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@@H](C)[C@@H](OC)c2ccccc2Cl)CC1	ZINC000778242962	1005736890	/nfs/dbraw/zinc/73/68/90/1005736890.db2.gz	IOCJWGNGYATTQR-HNAYVOBHSA-N	1	0	363.889	1.783	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1cccs1)C2	ZINC001111081361	1005809892	/nfs/dbraw/zinc/80/98/92/1005809892.db2.gz	RHEAMOFDZDHBPS-ABFRBSLYSA-N	1	0	359.495	1.398	20	30		FDEDRO
N#CC1(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CCSCC1	ZINC000934915560	1005816552	/nfs/dbraw/zinc/81/65/52/1005816552.db2.gz	ZHEWWROUAHEWNO-JKSUJKDBSA-N	1	0	351.516	1.907	20	30		FDEDRO
COc1cc(C#N)ccc1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000935157618	1005858707	/nfs/dbraw/zinc/85/87/07/1005858707.db2.gz	SYTXCUAWWKZRPG-QAPCUYQASA-N	1	0	356.470	1.665	20	30		FDEDRO
C=CC1(CC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)OC)CCCCC1	ZINC000935800206	1006024075	/nfs/dbraw/zinc/02/40/75/1006024075.db2.gz	UBWBWZXZJMLXMO-UHFFFAOYSA-N	1	0	365.518	1.762	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCOC	ZINC001111107423	1006083797	/nfs/dbraw/zinc/08/37/97/1006083797.db2.gz	UDASUNUVZMUGJK-YRXWBPOGSA-N	1	0	365.518	1.996	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CCOC(=O)CNS(=O)(=O)c1cccc(C#N)c1	ZINC000795328041	1006084550	/nfs/dbraw/zinc/08/45/50/1006084550.db2.gz	SEVJRFWRXMVPHV-OAHLLOKOSA-N	1	0	365.455	1.254	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)nc(C)n1)C2	ZINC001111141282	1006411115	/nfs/dbraw/zinc/41/11/15/1006411115.db2.gz	QETQSUZIKOBJEW-MMTVNHQJSA-N	1	0	357.458	1.119	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncc3ccccc31)C2	ZINC001111158826	1006526062	/nfs/dbraw/zinc/52/60/62/1006526062.db2.gz	FDROGJVVBHBJKQ-LMMKCTJWSA-N	1	0	354.454	1.960	20	30		FDEDRO
C=CCOc1cn(-c2ccccc2)nc1C(=O)NCC1([NH3+])CCOCC1	ZINC000638538999	1006560548	/nfs/dbraw/zinc/56/05/48/1006560548.db2.gz	ZOSLZOXVPOZYOJ-UHFFFAOYSA-N	1	0	356.426	1.675	20	30		FDEDRO
CNC(=O)CCC[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N	ZINC000155263721	1006650525	/nfs/dbraw/zinc/65/05/25/1006650525.db2.gz	XKFILGWJGDPBDP-AWEZNQCLSA-N	1	0	351.410	1.682	20	30		FDEDRO
CC[NH+]=C(NCC1(C2CC2)CCC1)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000155848405	1006731657	/nfs/dbraw/zinc/73/16/57/1006731657.db2.gz	HRHWBEYGDWTEIH-UHFFFAOYSA-N	1	0	358.490	1.615	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)CCC)C2	ZINC001111193507	1006786404	/nfs/dbraw/zinc/78/64/04/1006786404.db2.gz	BUWZLUXYXZPBDQ-JJXSEGSLSA-N	1	0	364.490	1.546	20	30		FDEDRO
O=C(C[C@@H]1CCCC(=O)N1)N[C@H]1C[C@H]2CC[C@@H]1N2CC#Cc1ccccc1	ZINC001095730835	1006789810	/nfs/dbraw/zinc/78/98/10/1006789810.db2.gz	YJVICULAQKQDOS-YRPNKDGESA-N	1	0	365.477	1.818	20	30		FDEDRO
N#Cc1ccccc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(=O)NCC1CC1)C2	ZINC001111194895	1006792515	/nfs/dbraw/zinc/79/25/15/1006792515.db2.gz	KCBOFXWVIPXEDR-KURKYZTESA-N	1	0	352.438	1.306	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC[C@H]1CCCO1	ZINC001111487174	1006802094	/nfs/dbraw/zinc/80/20/94/1006802094.db2.gz	BZMAZXSWHPXVLL-TVFCKZIOSA-N	1	0	352.475	1.496	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@H](C)n1cc(CN2CC[NH2+]CC2)nn1	ZINC000640928739	1006818255	/nfs/dbraw/zinc/81/82/55/1006818255.db2.gz	IAYQSOOXOGTXDG-HNNXBMFYSA-N	1	0	374.514	1.521	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1	ZINC000954772422	1007014600	/nfs/dbraw/zinc/01/46/00/1007014600.db2.gz	OXXBCYNNNHMBEE-SQNIBIBYSA-N	1	0	363.502	1.511	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1	ZINC000778990535	1007109680	/nfs/dbraw/zinc/10/96/80/1007109680.db2.gz	SBRFDOPTCCAFDI-CABCVRRESA-N	1	0	352.479	1.984	20	30		FDEDRO
COCCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1	ZINC001111253790	1007207045	/nfs/dbraw/zinc/20/70/45/1007207045.db2.gz	WTGTXXMDEPYJHR-QRVBRYPASA-N	1	0	357.454	1.833	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(C(C)C)c1C)C2	ZINC001111261398	1007292732	/nfs/dbraw/zinc/29/27/32/1007292732.db2.gz	PEGAKJJSYKXPKV-OIISXLGYSA-N	1	0	359.474	1.410	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC(=O)NCCCOC)C2	ZINC001111262166	1007315086	/nfs/dbraw/zinc/31/50/86/1007315086.db2.gz	CVVRZMIXYLAJGD-MLHJIOFPSA-N	1	0	365.518	1.996	20	30		FDEDRO
C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[C@H](CN3CCOCC3)O1)C2	ZINC001095800957	1007460778	/nfs/dbraw/zinc/46/07/78/1007460778.db2.gz	FWJKHJRCLSFXQV-GFEQUFNTSA-N	1	0	363.502	1.164	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3ccc(C)n3C)C[C@H]2C)CC1	ZINC000947517486	1007668270	/nfs/dbraw/zinc/66/82/70/1007668270.db2.gz	NOTHSRNBEQTUFC-CRAIPNDOSA-N	1	0	370.497	1.255	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)cc1	ZINC000957089476	1007691324	/nfs/dbraw/zinc/69/13/24/1007691324.db2.gz	JRTLHRZWCNYYBH-CRAIPNDOSA-N	1	0	351.450	1.340	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)nc1	ZINC000947631784	1007762663	/nfs/dbraw/zinc/76/26/63/1007762663.db2.gz	MYPIBGJARXUXFY-RHSMWYFYSA-N	1	0	354.454	1.124	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1	ZINC000956038296	1007804197	/nfs/dbraw/zinc/80/41/97/1007804197.db2.gz	CEDKGTLESHKHQN-FHLIZLRMSA-N	1	0	354.454	1.124	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCN2C(=O)[C@]23C[C@H]2CCC3)CC1	ZINC000956143522	1007916039	/nfs/dbraw/zinc/91/60/39/1007916039.db2.gz	ZFPKNZGDMVSASL-LVCYWYKZSA-N	1	0	357.498	1.629	20	30		FDEDRO
C#CCCOc1ccc(CN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1	ZINC000093821216	1007994512	/nfs/dbraw/zinc/99/45/12/1007994512.db2.gz	CXPYDKGDYZDFKU-HXUWFJFHSA-N	1	0	355.482	1.827	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C	ZINC000249124447	1008087453	/nfs/dbraw/zinc/08/74/53/1008087453.db2.gz	CERVYRODTFCFJG-RDJZCZTQSA-N	1	0	357.454	1.826	20	30		FDEDRO
C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCCO[C@@H](C[NH3+])C1	ZINC000643605659	1008160178	/nfs/dbraw/zinc/16/01/78/1008160178.db2.gz	VVWGGBVFYTWEEZ-INIZCTEOSA-N	1	0	356.426	1.627	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCC[N@H+]3CCC)C2)cn1	ZINC000957461014	1008311666	/nfs/dbraw/zinc/31/16/66/1008311666.db2.gz	WNOVHGHVVDPSAP-LZQZEXGQSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]2C)cc1	ZINC000949959285	1008575192	/nfs/dbraw/zinc/57/51/92/1008575192.db2.gz	HKPDKYJGEXIHQZ-ZMYBRWDISA-N	1	0	353.466	1.585	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC(C)C)NC(C)=O)C2	ZINC001111301185	1008593793	/nfs/dbraw/zinc/59/37/93/1008593793.db2.gz	VKTKROLBERSZKQ-TVFCKZIOSA-N	1	0	351.491	1.461	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)C[N@H+]1CCC(C)(C)C1	ZINC000950233112	1008917424	/nfs/dbraw/zinc/91/74/24/1008917424.db2.gz	SGNDOEUCGMBHGZ-ZACQAIPSSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@]34CC[N@H+](C3)CCC4)C2)c1	ZINC000958720821	1008993550	/nfs/dbraw/zinc/99/35/50/1008993550.db2.gz	WVBFHQPMYUDYIT-FPDPHYFHSA-N	1	0	366.465	1.126	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1	ZINC000950382058	1009108458	/nfs/dbraw/zinc/10/84/58/1009108458.db2.gz	CPWGXWNHPJYSRJ-KBAYOESNSA-N	1	0	370.497	1.593	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1	ZINC000950431692	1009165948	/nfs/dbraw/zinc/16/59/48/1009165948.db2.gz	HUHIFACNDYIVKT-LCLWPZTBSA-N	1	0	369.509	1.651	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(Cc2ccc(C)nc2)CC2CC2)CC1	ZINC000647028737	1009402449	/nfs/dbraw/zinc/40/24/49/1009402449.db2.gz	FSGDAGYXPWIIJG-UHFFFAOYSA-N	1	0	370.497	1.895	20	30		FDEDRO
CCN(CC)[C@H](CNC(NCCN1CCOCC1)=[NH+]C)c1ccccc1	ZINC000303690763	1009521240	/nfs/dbraw/zinc/52/12/40/1009521240.db2.gz	AAXDFXGWSBDZCN-LJQANCHMSA-N	1	0	361.534	1.567	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H](CC)C2)c1	ZINC000647268212	1009570297	/nfs/dbraw/zinc/57/02/97/1009570297.db2.gz	XBTPAKHVHXLMSB-BBRMVZONSA-N	1	0	351.472	1.350	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2C(N)=O)cc1F	ZINC000960138489	1009580929	/nfs/dbraw/zinc/58/09/29/1009580929.db2.gz	XQMKYAVIHSPHKA-XHSDSOJGSA-N	1	0	358.417	1.289	20	30		FDEDRO
Cn1ccnc1[C@@](O)(CCNC(=[NH2+])NCCc1ccccc1)C(F)(F)F	ZINC000303783983	1009581893	/nfs/dbraw/zinc/58/18/93/1009581893.db2.gz	OTCFXVGBDWBYHD-INIZCTEOSA-N	1	0	369.391	1.707	20	30		FDEDRO
Cc1cc(NC2CC[NH+](CCNC(=O)[C@]34C[C@H]3CCC4)CC2)c(C#N)cn1	ZINC001111332111	1009682217	/nfs/dbraw/zinc/68/22/17/1009682217.db2.gz	VZOHXONZQPKCER-DYESRHJHSA-N	1	0	367.497	1.866	20	30		FDEDRO
CCOCCCNC(=[NH2+])NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1	ZINC000303902096	1009685399	/nfs/dbraw/zinc/68/53/99/1009685399.db2.gz	XQBIBTHHHZESPP-KRWDZBQOSA-N	1	0	362.474	1.426	20	30		FDEDRO
COc1ccc(OC)c(NC(=[NH2+])NCC(=O)NCCc2ccccc2)c1	ZINC000303986703	1009793474	/nfs/dbraw/zinc/79/34/74/1009793474.db2.gz	UQUZEHGAPJFYSS-UHFFFAOYSA-N	1	0	356.426	1.789	20	30		FDEDRO
C=CCc1ccc(OCC(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c(OC)c1	ZINC000647678155	1009830344	/nfs/dbraw/zinc/83/03/44/1009830344.db2.gz	VKMAUVKDBJZKCA-KRWDZBQOSA-N	1	0	359.470	1.309	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1	ZINC000950875682	1009977429	/nfs/dbraw/zinc/97/74/29/1009977429.db2.gz	PJAJADHVQSFXCV-LNLFQRSKSA-N	1	0	363.502	1.561	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C	ZINC000959654878	1010367057	/nfs/dbraw/zinc/36/70/57/1010367057.db2.gz	KLPAJFAMBNVCGB-MBOZVWFJSA-N	1	0	367.493	1.515	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)c1cccc(C)c1)C2	ZINC001111348927	1010374173	/nfs/dbraw/zinc/37/41/73/1010374173.db2.gz	RZUJPHDDDLYYLN-QRVBRYPASA-N	1	0	371.481	1.649	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](NC(=O)[C@H]3CC[C@@H](C)O3)C2)CC1	ZINC000951078835	1010428602	/nfs/dbraw/zinc/42/86/02/1010428602.db2.gz	KICREIZBCGSBOT-KBAYOESNSA-N	1	0	361.486	1.006	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2cccc(C#N)c2)C1	ZINC000960646249	1010535678	/nfs/dbraw/zinc/53/56/78/1010535678.db2.gz	INSBABDDFLUKPA-ATZDWAIDSA-N	1	0	368.481	1.896	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1	ZINC000951298400	1010703323	/nfs/dbraw/zinc/70/33/23/1010703323.db2.gz	XTDVWWBDDWDRAH-UAGQMJEPSA-N	1	0	354.410	1.256	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nc1	ZINC000951491981	1010880404	/nfs/dbraw/zinc/88/04/04/1010880404.db2.gz	MUQADXCGHPNDGC-JENIJYKNSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)cc1	ZINC000951524925	1010917471	/nfs/dbraw/zinc/91/74/71/1010917471.db2.gz	SWBNDKAKMCHXHR-AYOQOUSVSA-N	1	0	369.465	1.108	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCCN(C(=O)[C@H]3CC[C@@H](C)O3)C2)CC1	ZINC000952113029	1011238742	/nfs/dbraw/zinc/23/87/42/1011238742.db2.gz	WYDBUWUQTHXSCN-BPQIPLTHSA-N	1	0	361.486	1.006	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000952291228	1011571302	/nfs/dbraw/zinc/57/13/02/1011571302.db2.gz	PRCHAJCRRXWLHV-BZSNNMDCSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1	ZINC000963067430	1011802682	/nfs/dbraw/zinc/80/26/82/1011802682.db2.gz	FGVCSRBZRWWGIP-PMPSAXMXSA-N	1	0	351.491	1.149	20	30		FDEDRO
C[NH+]=C(NCc1cc(F)ccc1F)N1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000085297572	1012100519	/nfs/dbraw/zinc/10/05/19/1012100519.db2.gz	QCYAGEGXRSDNIV-INIZCTEOSA-N	1	0	366.412	1.363	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CCC([NH2+]Cc2nncn2C)CC1	ZINC000963338517	1012166604	/nfs/dbraw/zinc/16/66/04/1012166604.db2.gz	YVPHAGBLXYJWEG-BACDZXNISA-N	1	0	361.490	1.656	20	30		FDEDRO
CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)C1	ZINC000961412519	1012349233	/nfs/dbraw/zinc/34/92/33/1012349233.db2.gz	SMDALEMJPHDNNT-CEXWTWQISA-N	1	0	359.514	1.862	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)C2	ZINC001111412358	1012389166	/nfs/dbraw/zinc/38/91/66/1012389166.db2.gz	LLAMLBHINVENGB-QXSJWSMHSA-N	1	0	357.520	1.370	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@H](O)C[C@@H]2COC)c(OC)c1	ZINC000649761110	1012556024	/nfs/dbraw/zinc/55/60/24/1012556024.db2.gz	LTIGCSAIVAEWIY-BRWVUGGUSA-N	1	0	351.443	1.245	20	30		FDEDRO
C=CCN(C(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1)[C@@H](C)COC	ZINC000636160013	1012770135	/nfs/dbraw/zinc/77/01/35/1012770135.db2.gz	JOAOEFZAPFDZGY-AWEZNQCLSA-N	1	0	360.458	1.967	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CC23CCN(C(=O)c2ccc(C#N)[nH]2)CC3)CC[N@@H+]1C	ZINC000963925591	1012969104	/nfs/dbraw/zinc/96/91/04/1012969104.db2.gz	RFXZLGDFJDPSBS-UNEWFSDZSA-N	1	0	369.469	1.337	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)CC2(C)C)CC[N@@H+]1C	ZINC000967048218	1017085523	/nfs/dbraw/zinc/08/55/23/1017085523.db2.gz	ZTTWOBAFAYXZCO-UNEWFSDZSA-N	1	0	371.485	1.583	20	30		FDEDRO
CCC[N@H+](CC)CCNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000192345103	178110448	/nfs/dbraw/zinc/11/04/48/178110448.db2.gz	SMLJUFAULMGPSL-GOSISDBHSA-N	1	0	371.485	1.690	20	30		FDEDRO
CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000193057647	178145178	/nfs/dbraw/zinc/14/51/78/178145178.db2.gz	OJIMIXNHAPYFOC-HNNXBMFYSA-N	1	0	359.474	1.996	20	30		FDEDRO
C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000193397395	178161501	/nfs/dbraw/zinc/16/15/01/178161501.db2.gz	PUGITHGVLINIJY-TVQRCGJNSA-N	1	0	358.261	1.597	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1	ZINC000193880118	178186355	/nfs/dbraw/zinc/18/63/55/178186355.db2.gz	SKEUSPLETYWPIC-ZDUSSCGKSA-N	1	0	370.906	1.516	20	30		FDEDRO
Cc1cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)nn1-c1cccc(C#N)c1	ZINC000509283821	538946510	/nfs/dbraw/zinc/94/65/10/538946510.db2.gz	GKMKQMVYXJWBML-SFHVURJKSA-N	1	0	367.453	1.629	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C	ZINC000245516374	178364115	/nfs/dbraw/zinc/36/41/15/178364115.db2.gz	FYCYOVCSSWQKIW-JTDSTZFVSA-N	1	0	356.470	1.441	20	30		FDEDRO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](CO)C[NH+]1CCCCC1	ZINC000512389331	538973697	/nfs/dbraw/zinc/97/36/97/538973697.db2.gz	JYSWOFCIZGMZPI-IEBWSBKVSA-N	1	0	359.470	1.925	20	30		FDEDRO
CCC(CC)(NC(=O)C1C[NH+](CCCOc2cccc(C#N)c2)C1)C(N)=O	ZINC000513236237	538990838	/nfs/dbraw/zinc/99/08/38/538990838.db2.gz	KAWIGVCJFVMQCN-UHFFFAOYSA-N	1	0	372.469	1.419	20	30		FDEDRO
CO[C@@H](C)C[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000513261786	538991123	/nfs/dbraw/zinc/99/11/23/538991123.db2.gz	PFWOFSXRCMCVIX-GJZGRUSLSA-N	1	0	350.488	1.424	20	30		FDEDRO
COCCOCCCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000264256413	179060901	/nfs/dbraw/zinc/06/09/01/179060901.db2.gz	ZSFSBQFTXATSRC-UHFFFAOYSA-N	1	0	362.474	1.685	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000264281564	179068455	/nfs/dbraw/zinc/06/84/55/179068455.db2.gz	PCUFOJVZICJQTI-UHFFFAOYSA-N	1	0	373.453	1.707	20	30		FDEDRO
Cn1c(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c(C#N)c(=O)n(C)c1=O	ZINC000265147180	179298434	/nfs/dbraw/zinc/29/84/34/179298434.db2.gz	RWAAZZZIOZDLSY-OAHLLOKOSA-N	1	0	353.426	1.032	20	30		FDEDRO
CCOC(=O)CCS(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000265225222	179316395	/nfs/dbraw/zinc/31/63/95/179316395.db2.gz	TYIGWPHWKKEIAH-UHFFFAOYSA-N	1	0	367.471	1.205	20	30		FDEDRO
CC(C)OCCOC[C@@H](O)C[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1	ZINC000265466597	179384753	/nfs/dbraw/zinc/38/47/53/179384753.db2.gz	HDUFJNHPVKUDGY-SFHVURJKSA-N	1	0	363.458	1.621	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCC(C)([NH+]2CCOCC2)CC1	ZINC000528728565	539779334	/nfs/dbraw/zinc/77/93/34/539779334.db2.gz	CKDBAVWUKAFQJA-LPHOPBHVSA-N	1	0	350.507	1.616	20	30		FDEDRO
COc1ccc(CN2CCN(c3nccn4cnnc34)[C@H](C)C2)cc1C#N	ZINC000269728441	180372480	/nfs/dbraw/zinc/37/24/80/180372480.db2.gz	XAGJXVICTMASPY-CQSZACIVSA-N	1	0	363.425	1.715	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]C1CCN(Cc2ccncc2)CC1	ZINC000530232338	539915575	/nfs/dbraw/zinc/91/55/75/539915575.db2.gz	YHSTWLUWBCYAPE-HXUWFJFHSA-N	1	0	366.465	1.947	20	30		FDEDRO
CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC(O)(CC#N)C2)C1	ZINC000530291112	539932924	/nfs/dbraw/zinc/93/29/24/539932924.db2.gz	VIMFVDIFTBVJTN-UHFFFAOYSA-N	1	0	366.465	1.895	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)N[C@H](C)C[NH+]3CCCCC3)CC2)c1C#N	ZINC000530513705	539989101	/nfs/dbraw/zinc/98/91/01/539989101.db2.gz	AWKFNNOZOGQANO-OAHLLOKOSA-N	1	0	373.505	1.306	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1cc([N+](=O)[O-])ccc1Cl	ZINC000268108252	674083223	/nfs/dbraw/zinc/08/32/23/674083223.db2.gz	YJPSXCTWORCELT-UHFFFAOYSA-N	1	0	355.826	1.375	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1	ZINC000533034436	540195891	/nfs/dbraw/zinc/19/58/91/540195891.db2.gz	OUHLURYONLEVKE-QZTJIDSGSA-N	1	0	359.470	1.644	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)n(CCC#N)n1	ZINC000533326897	540233028	/nfs/dbraw/zinc/23/30/28/540233028.db2.gz	VIZKMKUZGNFJHI-CQSZACIVSA-N	1	0	362.478	1.526	20	30		FDEDRO
COC(=O)CC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C[C@@H]1CCCO1	ZINC000533435594	540246726	/nfs/dbraw/zinc/24/67/26/540246726.db2.gz	MRHMGHKBKWXOJM-KRWDZBQOSA-N	1	0	359.426	1.931	20	30		FDEDRO
C[NH+]1CCN(CCCCNS(=O)(=O)c2cccc(Cl)c2C#N)CC1	ZINC000533555034	540264372	/nfs/dbraw/zinc/26/43/72/540264372.db2.gz	CQJCGEBLIHARMT-UHFFFAOYSA-N	1	0	370.906	1.518	20	30		FDEDRO
CC(C)[NH+]1CCN(c2cccc(NC(=O)Cn3cnc(C#N)n3)c2)CC1	ZINC000534326375	540354402	/nfs/dbraw/zinc/35/44/02/540354402.db2.gz	LTWJLMAUVHVAOQ-UHFFFAOYSA-N	1	0	353.430	1.319	20	30		FDEDRO
N#CC1(NC(=O)c2ccc3nnnn3c2)CC[NH+](Cc2ccccc2)CC1	ZINC000537591644	540748119	/nfs/dbraw/zinc/74/81/19/540748119.db2.gz	MYWLHRAMVYQSGQ-UHFFFAOYSA-N	1	0	361.409	1.412	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)cc2C1=O	ZINC000538713990	540884594	/nfs/dbraw/zinc/88/45/94/540884594.db2.gz	BKRQHOZAHHUVMR-DYVFJYSZSA-N	1	0	353.422	1.635	20	30		FDEDRO
C=CC[C@@H](CO)CNC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1	ZINC000540410097	541055268	/nfs/dbraw/zinc/05/52/68/541055268.db2.gz	QSIHCDIDVGNQQV-GOSISDBHSA-N	1	0	361.486	1.627	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)ccc1F	ZINC000269195486	674107419	/nfs/dbraw/zinc/10/74/19/674107419.db2.gz	PYKZBXGDOMFVKD-KGLIPLIRSA-N	1	0	367.446	1.257	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCC1([NH+](C)C)CCCCC1	ZINC000540967934	541126604	/nfs/dbraw/zinc/12/66/04/541126604.db2.gz	PXIRAUJRBNKKCE-UHFFFAOYSA-N	1	0	361.494	1.702	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1	ZINC000269201943	674107537	/nfs/dbraw/zinc/10/75/37/674107537.db2.gz	MVUAMJNEOMSFBX-HIFRSBDPSA-N	1	0	351.472	1.269	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)Nc1ccn(CC[NH+](C)C)n1	ZINC000541469610	541212918	/nfs/dbraw/zinc/21/29/18/541212918.db2.gz	RMMSYHKFCMJGRE-UHFFFAOYSA-N	1	0	372.429	1.986	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(C(N)=O)n1	ZINC000541943967	541303789	/nfs/dbraw/zinc/30/37/89/541303789.db2.gz	JLYLZKZLDVORAP-UHFFFAOYSA-N	1	0	351.410	1.256	20	30		FDEDRO
O=C(C[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000542252761	541365813	/nfs/dbraw/zinc/36/58/13/541365813.db2.gz	DBABKNHUOYSDLU-XIRDDKMYSA-N	1	0	366.383	1.876	20	30		FDEDRO
COC[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C(C)C	ZINC000542526742	541419930	/nfs/dbraw/zinc/41/99/30/541419930.db2.gz	SXKCNMOHINOLRP-JKSUJKDBSA-N	1	0	364.515	1.718	20	30		FDEDRO
COCCN(CC[NH+](C)C)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000542839437	541484316	/nfs/dbraw/zinc/48/43/16/541484316.db2.gz	LEYHSYFVEOEDOP-UHFFFAOYSA-N	1	0	374.420	1.925	20	30		FDEDRO
C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccc(Cl)c(C#N)c2)cn1	ZINC000543645261	541627669	/nfs/dbraw/zinc/62/76/69/541627669.db2.gz	BWIYXTNILGERAY-UHFFFAOYSA-N	1	0	374.832	1.338	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NC[C@H](O)CS(=O)(=O)c2cccs2)cc1	ZINC000269687336	674111911	/nfs/dbraw/zinc/11/19/11/674111911.db2.gz	ICARGSUZONNWDK-LBPRGKRZSA-N	1	0	369.468	1.318	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)[NH+](C)C	ZINC000269822079	674113247	/nfs/dbraw/zinc/11/32/47/674113247.db2.gz	QGTOMPXSXBKNEH-NSHDSACASA-N	1	0	357.439	1.687	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNS(=O)(=O)Cc2cccc(C#N)c2)CC1	ZINC000269847665	674119325	/nfs/dbraw/zinc/11/93/25/674119325.db2.gz	QNZBBIMVOYIPNW-UHFFFAOYSA-N	1	0	351.472	1.213	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+]CC3(OCCO)CCOCC3)CC2)cc1	ZINC000282486635	182019304	/nfs/dbraw/zinc/01/93/04/182019304.db2.gz	HJYLWCQARSUUHZ-UHFFFAOYSA-N	1	0	373.497	1.670	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1	ZINC000283500939	182199587	/nfs/dbraw/zinc/19/95/87/182199587.db2.gz	ARKFMHDORXZRLS-GOSISDBHSA-N	1	0	354.454	1.651	20	30		FDEDRO
C[C@H]1CCC[C@@](CNC(=O)C(=O)NCc2cccc(C#N)c2)([NH+](C)C)C1	ZINC000283535586	182208640	/nfs/dbraw/zinc/20/86/40/182208640.db2.gz	DNDDEEHIXZACDJ-MGPUTAFESA-N	1	0	356.470	1.801	20	30		FDEDRO
C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2ccc(C#N)cn2)c1	ZINC000545199360	541900963	/nfs/dbraw/zinc/90/09/63/541900963.db2.gz	MRAVDOXPHRPKEU-UHFFFAOYSA-N	1	0	373.438	1.045	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC[C@@H]1CCC[N@@H+](C)C1	ZINC000545198334	541901201	/nfs/dbraw/zinc/90/12/01/541901201.db2.gz	AKULPDIQSXXSTJ-HNNXBMFYSA-N	1	0	353.430	1.911	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)C1	ZINC000283852028	182293431	/nfs/dbraw/zinc/29/34/31/182293431.db2.gz	FSTNSNBKNYZUSA-RDJZCZTQSA-N	1	0	356.470	1.972	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NCCC[N@@H+]1CCCC[C@H]1C	ZINC000545295372	541928277	/nfs/dbraw/zinc/92/82/77/541928277.db2.gz	VOYWCPVVJPWNQH-CQSZACIVSA-N	1	0	358.442	1.886	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NCc1cccc(C#N)c1	ZINC000284053937	182349776	/nfs/dbraw/zinc/34/97/76/182349776.db2.gz	QGCPXAQBXGRGTA-UHFFFAOYSA-N	1	0	354.410	1.358	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1)C[NH+]1CCCCC1	ZINC000284149444	182379068	/nfs/dbraw/zinc/37/90/68/182379068.db2.gz	XECFIPFWVHFNKW-HOTGVXAUSA-N	1	0	356.470	1.974	20	30		FDEDRO
CN(CCC(=O)N1CCN(c2cccc(C#N)n2)CC1)c1cc[nH+]cc1	ZINC000545490876	541986530	/nfs/dbraw/zinc/98/65/30/541986530.db2.gz	UOTXILXZAVATGH-UHFFFAOYSA-N	1	0	350.426	1.523	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCC[N@H+]2CC=C(C)CC2)cc1	ZINC000545870991	542033729	/nfs/dbraw/zinc/03/37/29/542033729.db2.gz	KFCIHWCFVOLWQA-UHFFFAOYSA-N	1	0	363.483	1.533	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)CC1(O)CCC1	ZINC000546093741	542096317	/nfs/dbraw/zinc/09/63/17/542096317.db2.gz	YSZUCILGAHMILF-UHFFFAOYSA-N	1	0	362.474	1.798	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)NCCC[NH+]3CCCCC3)CC2)n1	ZINC000546220093	542128447	/nfs/dbraw/zinc/12/84/47/542128447.db2.gz	QWEHMNQFYOWSMN-UHFFFAOYSA-N	1	0	356.474	1.661	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+]CCCN3CCC[C@H]3C(N)=O)CC2)cc1	ZINC000286246153	183023941	/nfs/dbraw/zinc/02/39/41/183023941.db2.gz	UEJUHQQQHLBKHC-IBGZPJMESA-N	1	0	355.486	1.456	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(Cc2ccc(C#N)cc2)C(C)C)C1	ZINC000286412325	183060338	/nfs/dbraw/zinc/06/03/38/183060338.db2.gz	CRKMXNRJYALLJG-GOSISDBHSA-N	1	0	372.469	1.132	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)N(C)Cc1cccc(C#N)c1)[NH+]1CCC(C)CC1	ZINC000286370414	183049846	/nfs/dbraw/zinc/04/98/46/183049846.db2.gz	UDRUFJDDPSRHTJ-INIZCTEOSA-N	1	0	356.470	1.753	20	30		FDEDRO
C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000286458108	183071831	/nfs/dbraw/zinc/07/18/31/183071831.db2.gz	JNAMIPSUEMSDBI-HNNXBMFYSA-N	1	0	372.469	1.384	20	30		FDEDRO
C[C@H](CCNC(=O)NCCn1cnc(C#N)n1)[N@H+](C)Cc1ccccc1	ZINC000286697366	183130372	/nfs/dbraw/zinc/13/03/72/183130372.db2.gz	NPYDPOKJURAKKK-OAHLLOKOSA-N	1	0	355.446	1.360	20	30		FDEDRO
CCC[NH+]1CCC(N(C)CCS(=O)(=O)c2ccc(C#N)cn2)CC1	ZINC000290284508	183623757	/nfs/dbraw/zinc/62/37/57/183623757.db2.gz	MLOZLLJVAWDYNX-UHFFFAOYSA-N	1	0	350.488	1.533	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc(C#N)cc(N(C)C)c2)CC1	ZINC000294843723	184013401	/nfs/dbraw/zinc/01/34/01/184013401.db2.gz	RZOIUJZUTRJAIG-INIZCTEOSA-N	1	0	357.502	1.628	20	30		FDEDRO
C[C@H]1C[C@@H](S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)CCO1	ZINC000295449448	184072734	/nfs/dbraw/zinc/07/27/34/184072734.db2.gz	PKJAHCHNDUCRDO-YJBOKZPZSA-N	1	0	365.499	1.819	20	30		FDEDRO
CN1CCO[C@@H](CNC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)C1	ZINC000296665483	184188878	/nfs/dbraw/zinc/18/88/78/184188878.db2.gz	YBNQOCZAEOZAOO-LBPRGKRZSA-N	1	0	364.471	1.303	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)NCc2ccc3c[nH+]cn3c2)CC1	ZINC000297923504	184356814	/nfs/dbraw/zinc/35/68/14/184356814.db2.gz	UAIIEWFGCCRZOX-UHFFFAOYSA-N	1	0	361.409	1.633	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)Cc2ccc(C#N)cc2)[C@@H](C)C1	ZINC000298117852	184396224	/nfs/dbraw/zinc/39/62/24/184396224.db2.gz	WGMHVNLOULPMIA-YJBOKZPZSA-N	1	0	356.470	1.705	20	30		FDEDRO
CC[C@@H](CNC(=O)[C@@H](C)n1cnc(C#N)n1)[N@@H+]1CCc2ccccc2C1	ZINC000547380328	542325404	/nfs/dbraw/zinc/32/54/04/542325404.db2.gz	RINVKZHKBFGKCQ-PBHICJAKSA-N	1	0	352.442	1.664	20	30		FDEDRO
Cc1nn(C)c(N2CC[NH+](C[C@H](O)CCc3ccccc3)CC2)c1C#N	ZINC000472161473	781993057	/nfs/dbraw/zinc/99/30/57/781993057.db2.gz	LUDBDBIXTDJKMQ-GOSISDBHSA-N	1	0	353.470	1.716	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)CC1CCOCC1	ZINC000173035292	258290106	/nfs/dbraw/zinc/29/01/06/258290106.db2.gz	JLOVYWHSVBEBCN-UHFFFAOYSA-N	1	0	365.499	1.678	20	30		FDEDRO
CN1CCN(C(=O)c2cnn3c2C[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC3)CC1	ZINC000549549208	542897938	/nfs/dbraw/zinc/89/79/38/542897938.db2.gz	NBFJTHTZKWDZRJ-BRWVUGGUSA-N	1	0	370.501	1.115	20	30		FDEDRO
C=C(C)Cn1c(CC2CC2)nnc1N1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000549691472	542918072	/nfs/dbraw/zinc/91/80/72/542918072.db2.gz	GBYJVYUWOOOXGT-UHFFFAOYSA-N	1	0	360.506	1.407	20	30		FDEDRO
CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](CCOCCC#N)CC1	ZINC000549844360	542952470	/nfs/dbraw/zinc/95/24/70/542952470.db2.gz	PLYMENMMAYFFSQ-UHFFFAOYSA-N	1	0	357.398	1.205	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1	ZINC000549980736	542981411	/nfs/dbraw/zinc/98/14/11/542981411.db2.gz	YNUFMQOLWUEHOW-HOTGVXAUSA-N	1	0	351.491	1.465	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1	ZINC000551371429	543276343	/nfs/dbraw/zinc/27/63/43/543276343.db2.gz	VJXMCJBJWWXSQU-JKIFEVAISA-N	1	0	370.453	1.694	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](N3CCC[C@H](C[NH+]4CCOCC4)C3)C2=O)cc1	ZINC000069856852	172032784	/nfs/dbraw/zinc/03/27/84/172032784.db2.gz	KUPSAPMQEJGICS-UYAOXDASSA-N	1	0	368.481	1.708	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1	ZINC000091209732	172278004	/nfs/dbraw/zinc/27/80/04/172278004.db2.gz	GSZDORCAXQKYQX-ZDUSSCGKSA-N	1	0	360.462	1.296	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)n1	ZINC000091249281	172281733	/nfs/dbraw/zinc/28/17/33/172281733.db2.gz	RKYAUEUAQILDFW-UKRRQHHQSA-N	1	0	358.446	1.217	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1	ZINC000105237175	172399996	/nfs/dbraw/zinc/39/99/96/172399996.db2.gz	UEKSYUNYLYIFJG-UHFFFAOYSA-N	1	0	356.474	1.563	20	30		FDEDRO
CCN(C1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1)S(C)(=O)=O	ZINC000127040488	173062504	/nfs/dbraw/zinc/06/25/04/173062504.db2.gz	TVWQXJPIZOUPCB-QGZVFWFLSA-N	1	0	351.472	1.338	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1	ZINC000127420253	173075149	/nfs/dbraw/zinc/07/51/49/173075149.db2.gz	NBBQJCGVFOCJKI-MSOLQXFVSA-N	1	0	363.483	1.604	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCn2ccnc2C1	ZINC000131205299	173193254	/nfs/dbraw/zinc/19/32/54/173193254.db2.gz	LZCNGURIEDUHTM-GOSISDBHSA-N	1	0	351.454	1.908	20	30		FDEDRO
CCS(=O)(=O)NCCC[NH+]1CCC(Oc2cccc(C#N)c2)CC1	ZINC000132451235	173232235	/nfs/dbraw/zinc/23/22/35/173232235.db2.gz	IPUHFWPMFBOKFJ-UHFFFAOYSA-N	1	0	351.472	1.731	20	30		FDEDRO
N#Cc1cc(F)c(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c(F)c1	ZINC000132901079	173247502	/nfs/dbraw/zinc/24/75/02/173247502.db2.gz	IUXAAMFUXLJDRN-OAHLLOKOSA-N	1	0	362.380	1.391	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3cccc(C)c3C#N)C2)CC1	ZINC000133074939	173252750	/nfs/dbraw/zinc/25/27/50/173252750.db2.gz	FGLAIUYDKTUFNV-MRXNPFEDSA-N	1	0	362.499	1.267	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1	ZINC000175866018	174033546	/nfs/dbraw/zinc/03/35/46/174033546.db2.gz	SKQKAUUBLUZMOQ-UHFFFAOYSA-N	1	0	373.501	1.453	20	30		FDEDRO
C[N@H+](CCCO)C1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1	ZINC000177079211	174105341	/nfs/dbraw/zinc/10/53/41/174105341.db2.gz	FYIAXKKIKSMZTP-INIZCTEOSA-N	1	0	362.499	1.504	20	30		FDEDRO
C[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1N1CCOCC1	ZINC000177271375	174118390	/nfs/dbraw/zinc/11/83/90/174118390.db2.gz	QWOMKHPUGHULPW-LZQZEXGQSA-N	1	0	354.454	1.316	20	30		FDEDRO
CN(CCN(C)S(=O)(=O)Cc1cccc(C#N)c1)C1CC[NH+](C)CC1	ZINC000181065827	174204853	/nfs/dbraw/zinc/20/48/53/174204853.db2.gz	FNLULGDFMMSRRV-UHFFFAOYSA-N	1	0	364.515	1.346	20	30		FDEDRO
N#Cc1cc(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)c[nH]1	ZINC000181311489	174217168	/nfs/dbraw/zinc/21/71/68/174217168.db2.gz	UPUYQYBDIREHIX-CQSZACIVSA-N	1	0	351.410	1.836	20	30		FDEDRO
N#Cc1ccccc1S(=O)(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1	ZINC000181475011	174228250	/nfs/dbraw/zinc/22/82/50/174228250.db2.gz	YWGQHRFYKJCRGD-SFHVURJKSA-N	1	0	371.462	1.603	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+]CCCN3CCC(O)CC3)CC2)cc1	ZINC000181560886	174232414	/nfs/dbraw/zinc/23/24/14/174232414.db2.gz	QTUHHRORWDJJEU-UHFFFAOYSA-N	1	0	356.514	1.959	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(O)(COC)CC1)C(C)C	ZINC000270302591	674191980	/nfs/dbraw/zinc/19/19/80/674191980.db2.gz	AWMGCUBKPDYGSV-QGZVFWFLSA-N	1	0	353.507	1.868	20	30		FDEDRO
COC(=O)C[C@@H]1CCCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000179133639	258344565	/nfs/dbraw/zinc/34/45/65/258344565.db2.gz	BYSPGOIGHLOBLQ-INIZCTEOSA-N	1	0	367.409	1.710	20	30		FDEDRO
N#Cc1ccncc1C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO	ZINC000553223323	543590156	/nfs/dbraw/zinc/59/01/56/543590156.db2.gz	ZVPQJSAYCNYPIK-SFHVURJKSA-N	1	0	350.422	1.840	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C	ZINC000553212085	543588368	/nfs/dbraw/zinc/58/83/68/543588368.db2.gz	PDZAXFSYCKCCDH-MQVJKMGUSA-N	1	0	372.469	1.460	20	30		FDEDRO
COc1cccc(N2C[C@H]([NH2+]C[C@@H]3CNc4c(C#N)cnn4C3)CC2=O)c1	ZINC000553425550	543633943	/nfs/dbraw/zinc/63/39/43/543633943.db2.gz	SGAGLLQZHUHOJA-UKRRQHHQSA-N	1	0	366.425	1.200	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1	ZINC000553359874	543618340	/nfs/dbraw/zinc/61/83/40/543618340.db2.gz	FKNALZCCLZNDPH-MRXNPFEDSA-N	1	0	359.470	1.970	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCc2ccc3c(c2)OCCO3)nc1	ZINC000570604541	549342101	/nfs/dbraw/zinc/34/21/01/549342101.db2.gz	PIJJWMGOLGFTDO-UHFFFAOYSA-N	1	0	373.434	1.330	20	30		FDEDRO
C[NH+](C)CCOc1cnccc1CNS(=O)(=O)CC1(C#N)CCCC1	ZINC000554710006	543857613	/nfs/dbraw/zinc/85/76/13/543857613.db2.gz	STDVJABLCGQWFV-UHFFFAOYSA-N	1	0	366.487	1.525	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1	ZINC000555688092	544005804	/nfs/dbraw/zinc/00/58/04/544005804.db2.gz	DDOKXJCGWLDGPN-GOSISDBHSA-N	1	0	359.470	1.601	20	30		FDEDRO
C=CCn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1	ZINC000556445361	544144897	/nfs/dbraw/zinc/14/48/97/544144897.db2.gz	ZEMWSMIQAKGXCI-YESZJQIVSA-N	1	0	372.517	1.867	20	30		FDEDRO
C=CCn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1	ZINC000556445358	544145024	/nfs/dbraw/zinc/14/50/24/544145024.db2.gz	ZEMWSMIQAKGXCI-BRWVUGGUSA-N	1	0	372.517	1.867	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)CC1	ZINC000556740031	544189247	/nfs/dbraw/zinc/18/92/47/544189247.db2.gz	ODRCIZAXTQQTQL-CGTJXYLNSA-N	1	0	351.491	1.598	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)CC1	ZINC000556740033	544189375	/nfs/dbraw/zinc/18/93/75/544189375.db2.gz	ODRCIZAXTQQTQL-KBAYOESNSA-N	1	0	351.491	1.598	20	30		FDEDRO
N#Cc1ccc(C(=O)CNC(=O)CC2([NH+]3CCOCC3)CCCC2)cc1	ZINC000557103465	544245450	/nfs/dbraw/zinc/24/54/50/544245450.db2.gz	PICYQCWXJFZZAP-UHFFFAOYSA-N	1	0	355.438	1.892	20	30		FDEDRO
C[C@]1(CNC(=O)C(=O)N2CCC(C#N)CC2)CCC[N@@H+]1Cc1ccccc1	ZINC000557913300	544362328	/nfs/dbraw/zinc/36/23/28/544362328.db2.gz	MXVJEAQAYLIGQY-OAQYLSRUSA-N	1	0	368.481	1.919	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1	ZINC000558455466	544436596	/nfs/dbraw/zinc/43/65/96/544436596.db2.gz	NTGPCRUMCLONGO-ZWKOTPCHSA-N	1	0	364.534	1.474	20	30		FDEDRO
C[NH+](C)CCNC(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	ZINC000558520390	544455190	/nfs/dbraw/zinc/45/51/90/544455190.db2.gz	RGPDARXJXUQHOG-UHFFFAOYSA-N	1	0	353.382	1.362	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[N@H+]1CCCC[C@@H]1CC	ZINC000558361394	544414978	/nfs/dbraw/zinc/41/49/78/544414978.db2.gz	PJNUIDTZTGFZRN-ULQDDVLXSA-N	1	0	351.491	1.465	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]Cc3cccc(CN4CCOCC4)c3)cnc12	ZINC000559273516	544622279	/nfs/dbraw/zinc/62/22/79/544622279.db2.gz	RDTZQTQTGQVYJT-UHFFFAOYSA-N	1	0	362.437	1.723	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCO[C@@H](C(C)C)C2)CC1	ZINC000559496392	544705962	/nfs/dbraw/zinc/70/59/62/544705962.db2.gz	WFQLDVZBXOTESV-QZTJIDSGSA-N	1	0	350.507	1.426	20	30		FDEDRO
C=CC[C@H]1N(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CCCC1(C)C	ZINC000559834177	544814671	/nfs/dbraw/zinc/81/46/71/544814671.db2.gz	DQEULSVEMZGKTI-QGZVFWFLSA-N	1	0	365.518	1.808	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@H](C)OC[C@H]1C)C(C)C	ZINC000559865025	544825961	/nfs/dbraw/zinc/82/59/61/544825961.db2.gz	ORUGKTFEMJKUAI-IXDOHACOSA-N	1	0	351.491	1.437	20	30		FDEDRO
C[N@@H+]1CC[C@H](CNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1	ZINC000560426288	545004921	/nfs/dbraw/zinc/00/49/21/545004921.db2.gz	CDLFXEDKLBYVSN-GFCCVEGCSA-N	1	0	358.833	2.471	20	30		FDEDRO
CC[C@@H]1CN([C@H]2CCN(c3sccc3C#N)C2=O)C[C@@H]1N1CCOCC1	ZINC000330193519	259132899	/nfs/dbraw/zinc/13/28/99/259132899.db2.gz	ALKSOZAKCMQLAX-PVAVHDDUSA-N	1	0	374.510	1.768	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2C#N)C[C@H]1[NH+](C)C	ZINC000330599508	259152663	/nfs/dbraw/zinc/15/26/63/259152663.db2.gz	XPCNUEDDNGULKM-OLZOCXBDSA-N	1	0	359.904	1.878	20	30		FDEDRO
C[N@H+](CCO)C1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1	ZINC000330761625	259161435	/nfs/dbraw/zinc/16/14/35/259161435.db2.gz	NFQCQFHYSABCOC-UHFFFAOYSA-N	1	0	357.863	1.289	20	30		FDEDRO
CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1	ZINC000330960536	259171220	/nfs/dbraw/zinc/17/12/20/259171220.db2.gz	FKULIGPAGLHWQN-UHFFFAOYSA-N	1	0	366.443	1.960	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N1CCCO[C@H](C[NH3+])C1	ZINC000332241277	259251968	/nfs/dbraw/zinc/25/19/68/259251968.db2.gz	VBZBQYFNVIIQFL-SNVBAGLBSA-N	1	0	374.260	1.059	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[N@H+](C)[C@H](C(C)C)C1	ZINC000332630365	259283931	/nfs/dbraw/zinc/28/39/31/259283931.db2.gz	WHCKSSWURFXRMR-SFHVURJKSA-N	1	0	368.485	1.949	20	30		FDEDRO
Cn1c(NCC[NH+]2CCC3(CCCCC3)CC2)c(C#N)c(=O)n(C)c1=O	ZINC000333310882	259333061	/nfs/dbraw/zinc/33/30/61/259333061.db2.gz	NYHBWDKDPHNOQH-UHFFFAOYSA-N	1	0	359.474	1.414	20	30		FDEDRO
N#Cc1c(C#N)c(N2CCN([C@@H]3CC[NH2+]C3)CC2)nc2c1CCCCCC2	ZINC000333481478	259352485	/nfs/dbraw/zinc/35/24/85/259352485.db2.gz	FPEJRQCWDUTVOW-MRXNPFEDSA-N	1	0	364.497	1.968	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000362164927	259484303	/nfs/dbraw/zinc/48/43/03/259484303.db2.gz	WPNBUWGBPSQZSB-XOKHGSTOSA-N	1	0	367.446	1.570	20	30		FDEDRO
CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1	ZINC000367150914	260001888	/nfs/dbraw/zinc/00/18/88/260001888.db2.gz	KMPDXJCFNWVLIT-MRXNPFEDSA-N	1	0	364.471	1.243	20	30		FDEDRO
CCc1nnc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(C#N)c1CC	ZINC000367199038	260009363	/nfs/dbraw/zinc/00/93/63/260009363.db2.gz	AEJRSFIAYFELJV-KXBFYZLASA-N	1	0	356.518	1.935	20	30		FDEDRO
C[N@H+](C[C@@H]1CC12CCN(c1cc(S(N)(=O)=O)ccc1C#N)CC2)C1CC1	ZINC000367346067	260028049	/nfs/dbraw/zinc/02/80/49/260028049.db2.gz	KBZWJZHWQURRDN-HNNXBMFYSA-N	1	0	374.510	1.906	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)C[C@H]21	ZINC000368592617	260206933	/nfs/dbraw/zinc/20/69/33/260206933.db2.gz	QQCQSZIJSBNJLI-SUMWQHHRSA-N	1	0	350.426	1.492	20	30		FDEDRO
N#Cc1ncn(C2CC[NH+](Cc3cc(=O)n4cc(Cl)ccc4n3)CC2)n1	ZINC000369313348	260338835	/nfs/dbraw/zinc/33/88/35/260338835.db2.gz	ZLPPZIPOWWVOOC-UHFFFAOYSA-N	1	0	369.816	1.648	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(C(=O)CSc3ccc(C#N)cc3)CC2)C1	ZINC000369356862	260347911	/nfs/dbraw/zinc/34/79/11/260347911.db2.gz	ZGNVNSDWXXNQCN-QGZVFWFLSA-N	1	0	358.511	1.889	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000369372595	260351678	/nfs/dbraw/zinc/35/16/78/260351678.db2.gz	KEUWRISUPKVWFV-GOSISDBHSA-N	1	0	355.486	1.868	20	30		FDEDRO
CC[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@]2(CCCOC2)O1	ZINC000369533567	260386334	/nfs/dbraw/zinc/38/63/34/260386334.db2.gz	UABZJCONSVBMJU-GGPKGHCWSA-N	1	0	360.454	1.958	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1C(F)(F)F	ZINC000370674588	260587125	/nfs/dbraw/zinc/58/71/25/260587125.db2.gz	WUQYXYOYYUZYCC-JQWIXIFHSA-N	1	0	359.373	1.807	20	30		FDEDRO
N#Cc1cccc(CS(=O)(=O)N2C[C@@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)c1	ZINC000372178621	260825327	/nfs/dbraw/zinc/82/53/27/260825327.db2.gz	LJASQTJHPMRALR-QZTJIDSGSA-N	1	0	359.426	1.954	20	30		FDEDRO
C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC[N@@H+]1C	ZINC000373697914	261032475	/nfs/dbraw/zinc/03/24/75/261032475.db2.gz	CFQDSHXQTXFTHK-AYOQOUSVSA-N	1	0	368.481	1.990	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000373845604	261046749	/nfs/dbraw/zinc/04/67/49/261046749.db2.gz	PEPBRASCRFGCNJ-LSDHHAIUSA-N	1	0	373.457	1.033	20	30		FDEDRO
N#Cc1cccc(CCNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1	ZINC000373984857	261061359	/nfs/dbraw/zinc/06/13/59/261061359.db2.gz	HALKVDNKHNEJNE-SFHVURJKSA-N	1	0	356.470	1.901	20	30		FDEDRO
COc1cc(CN2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)ccc1C#N	ZINC000374213573	261095310	/nfs/dbraw/zinc/09/53/10/261095310.db2.gz	WYXBLZIHTUNPSE-QGZVFWFLSA-N	1	0	363.483	1.308	20	30		FDEDRO
COc1cc(C[N@@H+]2CCCN(c3ncccc3C(N)=O)CC2)ccc1C#N	ZINC000374241541	261098859	/nfs/dbraw/zinc/09/88/59/261098859.db2.gz	NUIPAHDAAVZJMQ-UHFFFAOYSA-N	1	0	365.437	1.773	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCCc2cccc(C#N)c2)CCN1C1CC[NH+](C)CC1	ZINC000374250046	261099569	/nfs/dbraw/zinc/09/95/69/261099569.db2.gz	QZHSPJUBVSGDEK-QGZVFWFLSA-N	1	0	369.513	1.911	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2ccccc2C#N)CCN1C1CC[NH+](C)CC1	ZINC000374271459	261103353	/nfs/dbraw/zinc/10/33/53/261103353.db2.gz	ODPSJIBZYJOJQS-OAHLLOKOSA-N	1	0	362.499	1.347	20	30		FDEDRO
C[C@@H](C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)n1cnc(C#N)n1	ZINC000409648097	262130810	/nfs/dbraw/zinc/13/08/10/262130810.db2.gz	ODXJMJZXMFVXKB-KFWWJZLASA-N	1	0	360.462	1.059	20	30		FDEDRO
C[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)n1cnc(C#N)n1	ZINC000409726224	262136840	/nfs/dbraw/zinc/13/68/40/262136840.db2.gz	UVWSBJOMOBKBAY-LLVKDONJSA-N	1	0	362.821	1.943	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cnns2)C[C@H]1c1ccccc1	ZINC001211540282	782058016	/nfs/dbraw/zinc/05/80/16/782058016.db2.gz	MPWPQSBAJVOYQQ-JKSUJKDBSA-N	1	0	358.467	1.939	20	30		FDEDRO
[NH2+]=C(NC[C@@H](O)CS(=O)(=O)c1cccs1)NC1CCCCCC1	ZINC000271241417	674327339	/nfs/dbraw/zinc/32/73/39/674327339.db2.gz	DQDHZYNGLUILII-CYBMUJFWSA-N	1	0	359.517	1.510	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCO[C@@H](C[NH+](C)C)C1	ZINC000545192226	490095527	/nfs/dbraw/zinc/09/55/27/490095527.db2.gz	LMUHZOVSDLKBRR-HNNXBMFYSA-N	1	0	369.429	1.242	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCC[N@@H+]1CCCOCC1	ZINC000525848800	490641855	/nfs/dbraw/zinc/64/18/55/490641855.db2.gz	AZGJQVNESKNNNC-UHFFFAOYSA-N	1	0	369.429	1.291	20	30		FDEDRO
CC(C)[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CCN1C	ZINC000488613039	490767167	/nfs/dbraw/zinc/76/71/67/490767167.db2.gz	WRKVYLVJLGIJBJ-CQSZACIVSA-N	1	0	360.462	1.247	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)nn1CCC#N	ZINC000504027718	490786002	/nfs/dbraw/zinc/78/60/02/490786002.db2.gz	YJVSTVMQUAVZDN-HNNXBMFYSA-N	1	0	360.462	1.280	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)n1	ZINC000540263348	490811712	/nfs/dbraw/zinc/81/17/12/490811712.db2.gz	SKYYVYGDDWJVCL-HNNXBMFYSA-N	1	0	358.446	1.361	20	30		FDEDRO
CC(C)[NH2+]CCCNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1	ZINC000518131501	490931319	/nfs/dbraw/zinc/93/13/19/490931319.db2.gz	AGMWFHAUKOLEOI-UHFFFAOYSA-N	1	0	372.404	1.326	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CCC(=O)NCC(=O)c1ccccc1	ZINC000543751249	490944809	/nfs/dbraw/zinc/94/48/09/490944809.db2.gz	KZWSALBSEPKTKN-UHFFFAOYSA-N	1	0	368.441	1.117	20	30		FDEDRO
C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCC[C@@](C)(C#N)C3)n2)CC1	ZINC000618862769	492241704	/nfs/dbraw/zinc/24/17/04/492241704.db2.gz	JHAALUCJIGOPJL-SFHVURJKSA-N	1	0	358.446	1.241	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CNC(=O)OC)C[C@H]1c1ccccc1	ZINC001211540454	782141846	/nfs/dbraw/zinc/14/18/46/782141846.db2.gz	URPVRIFTUROVEV-LSDHHAIUSA-N	1	0	351.834	1.679	20	30		FDEDRO
CC#CCN1C[C@H]2OCCN(C(=O)c3ccoc3Br)[C@H]2C1	ZINC001083241652	782150863	/nfs/dbraw/zinc/15/08/63/782150863.db2.gz	SAKFDOUCKMRAOD-QWHCGFSZSA-N	1	0	353.216	1.591	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+](CCC)CC(=O)N(C)C)c(OC)c1	ZINC000056510564	521872905	/nfs/dbraw/zinc/87/29/05/521872905.db2.gz	SBCODRVUPSIFJQ-KRWDZBQOSA-N	1	0	364.486	1.964	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000056788644	521910293	/nfs/dbraw/zinc/91/02/93/521910293.db2.gz	VXNVOPKTVRYUON-IAGOWNOFSA-N	1	0	370.501	1.905	20	30		FDEDRO
CCCNC(=O)CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000057299360	522060404	/nfs/dbraw/zinc/06/04/04/522060404.db2.gz	DPTONFFLUJMRGK-UHFFFAOYSA-N	1	0	371.485	1.692	20	30		FDEDRO
C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2)cc1	ZINC000070956977	522064635	/nfs/dbraw/zinc/06/46/35/522064635.db2.gz	JDYYVUIKMWIYEW-UHFFFAOYSA-N	1	0	366.421	1.754	20	30		FDEDRO
N#CCCN(CCC#N)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000072948141	522430205	/nfs/dbraw/zinc/43/02/05/522430205.db2.gz	AEJUEAYBYVDFCY-UHFFFAOYSA-N	1	0	361.490	1.267	20	30		FDEDRO
C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[NH+](CCCSCC#N)CC2)C1	ZINC000074981420	522863368	/nfs/dbraw/zinc/86/33/68/522863368.db2.gz	IHENKUKUQKKVPX-IAGOWNOFSA-N	1	0	352.548	1.755	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1CN1CCOCC1	ZINC000075890638	522986928	/nfs/dbraw/zinc/98/69/28/522986928.db2.gz	FPBZSZARASIPFE-WOJBJXKFSA-N	1	0	360.498	1.951	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC(C[NH+]2CCOCC2)CC1	ZINC000051958280	523099407	/nfs/dbraw/zinc/09/94/07/523099407.db2.gz	GESLWBQKXHWTCE-VQIMIIECSA-N	1	0	350.507	1.474	20	30		FDEDRO
CC(C)[C@H](CNC(=O)[C@H](C)Oc1ccccc1C#N)[NH+]1CCN(C)CC1	ZINC000076484076	523123968	/nfs/dbraw/zinc/12/39/68/523123968.db2.gz	RNCROTPIIZFHHY-WMZOPIPTSA-N	1	0	358.486	1.714	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-c3ncon3)cc2)CC1	ZINC000076512865	523127491	/nfs/dbraw/zinc/12/74/91/523127491.db2.gz	REXXMZRFFGHKHE-UHFFFAOYSA-N	1	0	355.398	1.442	20	30		FDEDRO
C[C@@H]1CCC[N@H+](CCNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000052524802	523191156	/nfs/dbraw/zinc/19/11/56/523191156.db2.gz	ZFKPPAALYPPCSL-MRXNPFEDSA-N	1	0	356.474	1.517	20	30		FDEDRO
Cc1nnc(NCc2cccc(C(=O)NCC[NH+](C)C)c2)c(C#N)c1C	ZINC000066816461	523205723	/nfs/dbraw/zinc/20/57/23/523205723.db2.gz	ORTVHAGBABWAFF-UHFFFAOYSA-N	1	0	352.442	1.869	20	30		FDEDRO
CS(=O)(=O)NC[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1	ZINC000076951990	523210692	/nfs/dbraw/zinc/21/06/92/523210692.db2.gz	LBWUPPDRZIOLJH-OAHLLOKOSA-N	1	0	364.471	1.148	20	30		FDEDRO
N#Cc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	ZINC000052662225	523230964	/nfs/dbraw/zinc/23/09/64/523230964.db2.gz	VWYWYMNSSQXJEV-UHFFFAOYSA-N	1	0	371.462	1.869	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(C[NH+](C)C)CC2)cc1	ZINC000052719943	523255523	/nfs/dbraw/zinc/25/55/23/523255523.db2.gz	WUAURWKGAODCSL-UHFFFAOYSA-N	1	0	372.469	1.341	20	30		FDEDRO
C[C@@H](C1CC1)N(C)S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000066914867	523260965	/nfs/dbraw/zinc/26/09/65/523260965.db2.gz	QNNWXJYCORLGJI-HNNXBMFYSA-N	1	0	364.515	1.897	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)nc1	ZINC000067090091	523317292	/nfs/dbraw/zinc/31/72/92/523317292.db2.gz	GMGUVQHFLAMLOQ-ZWKOTPCHSA-N	1	0	368.485	1.848	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1	ZINC000077592047	523391802	/nfs/dbraw/zinc/39/18/02/523391802.db2.gz	WKBXQLIMXJMERE-UHFFFAOYSA-N	1	0	372.469	1.843	20	30		FDEDRO
N#Cc1ccc(CNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c(F)c1	ZINC000077670809	523409278	/nfs/dbraw/zinc/40/92/78/523409278.db2.gz	OXLCORUIILDJBR-HNNXBMFYSA-N	1	0	360.433	1.997	20	30		FDEDRO
CC[N@H+](CCNC(=O)C(=O)Nc1ncn(Cc2ccccc2)n1)C(C)C	ZINC000077770324	523457832	/nfs/dbraw/zinc/45/78/32/523457832.db2.gz	JXKAQYNCYMJUJY-UHFFFAOYSA-N	1	0	358.446	1.761	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1	ZINC000077861811	523492413	/nfs/dbraw/zinc/49/24/13/523492413.db2.gz	BNHKBHYNEIGFBY-UHFFFAOYSA-N	1	0	374.441	1.519	20	30		FDEDRO
CC(C)NC(=O)CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000053987269	523547158	/nfs/dbraw/zinc/54/71/58/523547158.db2.gz	DJAQUEPCYIJWQC-UHFFFAOYSA-N	1	0	357.458	1.300	20	30		FDEDRO
COc1ccccc1N1C[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)CC1=O	ZINC000068233174	523738489	/nfs/dbraw/zinc/73/84/89/523738489.db2.gz	XZRCNAYASHXVQX-MRXNPFEDSA-N	1	0	372.469	1.742	20	30		FDEDRO
COC1CC[NH+](CCNC(=O)CCc2c(C)nn(CCC#N)c2C)CC1	ZINC000079683585	523781162	/nfs/dbraw/zinc/78/11/62/523781162.db2.gz	MREMJSIZCLWVFH-UHFFFAOYSA-N	1	0	361.490	1.573	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000271655402	674365722	/nfs/dbraw/zinc/36/57/22/674365722.db2.gz	JDVBAVFYKYZLCU-HNNXBMFYSA-N	1	0	365.499	1.788	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1	ZINC000156549116	524101300	/nfs/dbraw/zinc/10/13/00/524101300.db2.gz	QCIYTEBRHPPIBU-DZGCQCFKSA-N	1	0	351.472	1.350	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](CN(CC)CC(F)(F)F)C1	ZINC000081558659	524150164	/nfs/dbraw/zinc/15/01/64/524150164.db2.gz	WNVHTNZNPHVFPP-GFCCVEGCSA-N	1	0	350.385	1.204	20	30		FDEDRO
COCCN(CCC#N)C(=O)c1cccc(NC(=O)CCn2ccnc2)c1	ZINC000081716935	524173058	/nfs/dbraw/zinc/17/30/58/524173058.db2.gz	LYLMWWQIFGHKEY-UHFFFAOYSA-N	1	0	369.425	1.914	20	30		FDEDRO
C=CCNc1ncc(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)s1	ZINC000136173521	524185980	/nfs/dbraw/zinc/18/59/80/524185980.db2.gz	WELZPCOGRVOKGP-UHFFFAOYSA-N	1	0	372.498	1.818	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1CCc2cc(OC)c(OC)cc2CC1	ZINC000138764608	524264525	/nfs/dbraw/zinc/26/45/25/524264525.db2.gz	CIQPKWXAWKBEAA-CYBMUJFWSA-N	1	0	361.442	1.505	20	30		FDEDRO
Cc1ncsc1C(=O)N1CCCN([C@H](C)C(=O)N(C)CCC#N)CC1	ZINC000141945021	524342810	/nfs/dbraw/zinc/34/28/10/524342810.db2.gz	OSOVGWFIBOTCGE-CQSZACIVSA-N	1	0	363.487	1.360	20	30		FDEDRO
C[NH+]=C(NCc1cnc(N(C)C)n1C)N[C@H]1CCCN(c2ccccc2)C1	ZINC000088240043	524440381	/nfs/dbraw/zinc/44/03/81/524440381.db2.gz	GOEPHFKZELSYRM-INIZCTEOSA-N	1	0	369.517	1.820	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccn(-c2ccccc2)n1	ZINC000122118038	524456348	/nfs/dbraw/zinc/45/63/48/524456348.db2.gz	CIRFLOQAMZGHHR-UHFFFAOYSA-N	1	0	368.441	1.505	20	30		FDEDRO
C[NH+]1CCN(CCOc2ccc(NC(=O)c3ccc(C#N)[nH]3)cc2)CC1	ZINC000158381551	524459085	/nfs/dbraw/zinc/45/90/85/524459085.db2.gz	LGQAQGXYGRTSIQ-UHFFFAOYSA-N	1	0	353.426	1.765	20	30		FDEDRO
Cc1cc(N(C)C)ccc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000122146939	524462673	/nfs/dbraw/zinc/46/26/73/524462673.db2.gz	RFSFWBUJTYSKJX-UHFFFAOYSA-N	1	0	359.474	1.694	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)c1	ZINC000088820428	524475412	/nfs/dbraw/zinc/47/54/12/524475412.db2.gz	NOEWRLZOTVXFRM-UHFFFAOYSA-N	1	0	369.421	1.821	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21	ZINC000122227194	524486485	/nfs/dbraw/zinc/48/64/85/524486485.db2.gz	FHXAIFPMZPZUTC-INMHGKMJSA-N	1	0	370.453	1.859	20	30		FDEDRO
C[C@@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)CN1CC[NH+](C)CC1	ZINC000122255415	524491800	/nfs/dbraw/zinc/49/18/00/524491800.db2.gz	DLDVBCHIYFOFDP-ZDUSSCGKSA-N	1	0	370.906	1.373	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1	ZINC000271675282	674368986	/nfs/dbraw/zinc/36/89/86/674368986.db2.gz	NKIJKWNHVQZCRD-LSDHHAIUSA-N	1	0	365.499	1.834	20	30		FDEDRO
C=CCCOCCNC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1	ZINC000122417229	524532271	/nfs/dbraw/zinc/53/22/71/524532271.db2.gz	BYBQEZBOKPPYRT-ROUUACIJSA-N	1	0	352.523	1.779	20	30		FDEDRO
C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(S(=O)(=O)CCCCC#N)CC1	ZINC000158822866	524534555	/nfs/dbraw/zinc/53/45/55/524534555.db2.gz	IULSZDRQYBDVAN-IRXDYDNUSA-N	1	0	356.536	1.500	20	30		FDEDRO
CC(C)(CCC#N)C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000174314749	524538620	/nfs/dbraw/zinc/53/86/20/524538620.db2.gz	QMOXILRDPWDZTD-UHFFFAOYSA-N	1	0	354.432	1.793	20	30		FDEDRO
C[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(C#N)cc1	ZINC000151276076	524547594	/nfs/dbraw/zinc/54/75/94/524547594.db2.gz	GCTQSHGRRSTZGI-ZDUSSCGKSA-N	1	0	354.414	1.132	20	30		FDEDRO
C[NH+]=C(NCC1CCN(C(C)=O)CC1)N1CCN(c2cccs2)CC1	ZINC000158914576	524552041	/nfs/dbraw/zinc/55/20/41/524552041.db2.gz	IGEKODVLVCDQAJ-UHFFFAOYSA-N	1	0	363.531	1.704	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NCC[N@H+](C)Cc2ccccc2)n1	ZINC000091209627	524662365	/nfs/dbraw/zinc/66/23/65/524662365.db2.gz	OWTPKOODWPEUKA-UHFFFAOYSA-N	1	0	368.441	1.522	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccnc2Br)CC1	ZINC000091240304	524675521	/nfs/dbraw/zinc/67/55/21/524675521.db2.gz	ZUSXOHMISUFQOW-UHFFFAOYSA-N	1	0	367.247	1.549	20	30		FDEDRO
CCC[NH+]1CCC(N(C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1	ZINC000091589225	524732657	/nfs/dbraw/zinc/73/26/57/524732657.db2.gz	JPLYLVQBPWNPSD-LJQANCHMSA-N	1	0	363.550	1.485	20	30		FDEDRO
C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)C1	ZINC000152154941	524797700	/nfs/dbraw/zinc/79/77/00/524797700.db2.gz	XDWSLAJSHFLNOG-RFGMHMOMSA-N	1	0	354.454	1.938	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1	ZINC000114558157	524831183	/nfs/dbraw/zinc/83/11/83/524831183.db2.gz	BTGABOWUFHTTIA-HXUWFJFHSA-N	1	0	369.513	1.251	20	30		FDEDRO
C[C@H](NC(=O)NCCCC[NH+]1CCN(CCO)CC1)c1ccc(C#N)cc1	ZINC000114589443	524836797	/nfs/dbraw/zinc/83/67/97/524836797.db2.gz	HOJDMGRIFCFXSD-KRWDZBQOSA-N	1	0	373.501	1.309	20	30		FDEDRO
CCN(CCC#N)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1	ZINC000123922548	524860683	/nfs/dbraw/zinc/86/06/83/524860683.db2.gz	FMNXWBDIYOCWTR-UHFFFAOYSA-N	1	0	366.849	1.981	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)c2nnn(C3CC[NH2+]CC3)c2C)cc1	ZINC000152424341	524881080	/nfs/dbraw/zinc/88/10/80/524881080.db2.gz	HKCPMIRFKBBXFE-UHFFFAOYSA-N	1	0	368.441	1.679	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](CCCO)CC(C)(C)C)CC1	ZINC000092618578	524901324	/nfs/dbraw/zinc/90/13/24/524901324.db2.gz	PJXRTWQSYKSVNX-KRWDZBQOSA-N	1	0	352.523	1.409	20	30		FDEDRO
C[NH+]=C(NCC[C@@H]1c2ccccc2NC1=O)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000175577189	524979062	/nfs/dbraw/zinc/97/90/62/524979062.db2.gz	LXZYUZRFMCLFPE-RHSMWYFYSA-N	1	0	366.469	1.911	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	ZINC000176069284	525049826	/nfs/dbraw/zinc/04/98/26/525049826.db2.gz	JBPHLUKBVVQMCX-UHFFFAOYSA-N	1	0	371.485	1.351	20	30		FDEDRO
C#CCOc1cccc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1	ZINC000124897391	525101958	/nfs/dbraw/zinc/10/19/58/525101958.db2.gz	HOTRSTSAFIYERE-GOSISDBHSA-N	1	0	370.453	1.469	20	30		FDEDRO
Cc1cccc(OCCNC(=O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1	ZINC000153300935	525171568	/nfs/dbraw/zinc/17/15/68/525171568.db2.gz	MWVSBJWLFDOROQ-UHFFFAOYSA-N	1	0	370.457	1.232	20	30		FDEDRO
CC(C)[C@H](CCO)[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000162002544	525200401	/nfs/dbraw/zinc/20/04/01/525200401.db2.gz	NPYKJLKXRJMKJR-HOTGVXAUSA-N	1	0	364.515	1.454	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1ccc(CC#N)cc1	ZINC000102051001	525270573	/nfs/dbraw/zinc/27/05/73/525270573.db2.gz	KTVFTNGMYGKFSH-KRWDZBQOSA-N	1	0	357.458	1.817	20	30		FDEDRO
C[NH+]=C(NC[C@@H](OC)c1cccc(Cl)c1)N[C@@H]1CCc2ncnn2C1	ZINC000126114454	525273173	/nfs/dbraw/zinc/27/31/73/525273173.db2.gz	IEYVAIQWJKVWJQ-HUUCEWRRSA-N	1	0	362.865	1.799	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)[C@@H]1CCOC1	ZINC000162689681	525301462	/nfs/dbraw/zinc/30/14/62/525301462.db2.gz	UDTOWBKSANCBLD-WDYCEAGBSA-N	1	0	374.460	1.549	20	30		FDEDRO
N#Cc1csc(C[NH2+]Cc2ccc(C(=O)N3CCNC(=O)C3)cc2)c1	ZINC000177686591	525329965	/nfs/dbraw/zinc/32/99/65/525329965.db2.gz	NGGGCZUDIMSVGZ-UHFFFAOYSA-N	1	0	354.435	1.482	20	30		FDEDRO
C[NH+](C)CCN(C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)C1CCCC1	ZINC000162896972	525331397	/nfs/dbraw/zinc/33/13/97/525331397.db2.gz	YNTKFLHCMTUZOT-UHFFFAOYSA-N	1	0	374.489	1.781	20	30		FDEDRO
CN1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CCC1=O	ZINC000162925200	525336092	/nfs/dbraw/zinc/33/60/92/525336092.db2.gz	IGFPPQDWVQLOGF-KRWDZBQOSA-N	1	0	357.458	1.252	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)CC1	ZINC000177829574	525350615	/nfs/dbraw/zinc/35/06/15/525350615.db2.gz	NXPPQTYAEIWOTA-FQEVSTJZSA-N	1	0	370.453	1.512	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)CC1	ZINC000103449104	525352171	/nfs/dbraw/zinc/35/21/71/525352171.db2.gz	HWORFYCKEIMYKL-MRXNPFEDSA-N	1	0	372.469	1.338	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc(-n2cncn2)cc1	ZINC000163065382	525355838	/nfs/dbraw/zinc/35/58/38/525355838.db2.gz	WBDZTGHKSDYRLP-OAHLLOKOSA-N	1	0	351.414	1.574	20	30		FDEDRO
Cn1cc(S(=O)(=O)N2CCC([NH2+]Cc3cccc(C#N)c3)CC2)cn1	ZINC000154001912	525390027	/nfs/dbraw/zinc/39/00/27/525390027.db2.gz	OIFDIACELOJGJM-UHFFFAOYSA-N	1	0	359.455	1.235	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](O)c2ccc(Cl)cc2)CC1	ZINC000104171881	525397194	/nfs/dbraw/zinc/39/71/94/525397194.db2.gz	GHTVHTIYTVFIEN-HNNXBMFYSA-N	1	0	368.865	1.899	20	30		FDEDRO
CCCC(=O)Nc1ccc(CNC(=[NH2+])NCCCN2CCOCC2)cc1	ZINC000104170484	525397436	/nfs/dbraw/zinc/39/74/36/525397436.db2.gz	JUXGNRMCJDNSGE-UHFFFAOYSA-N	1	0	361.490	1.552	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@@H](c1ccco1)N1CCCCC1	ZINC000104154310	525397562	/nfs/dbraw/zinc/39/75/62/525397562.db2.gz	LIEXVOBHZARONA-KRWDZBQOSA-N	1	0	363.506	1.304	20	30		FDEDRO
C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)Cn2cnc(C#N)n2)C1	ZINC000178418149	525425407	/nfs/dbraw/zinc/42/54/07/525425407.db2.gz	UDUUEORJBACQEQ-IYBDPMFKSA-N	1	0	366.469	1.944	20	30		FDEDRO
CN(C)S(=O)(=O)CCC[NH+]1CCC(Oc2cccc(C#N)c2)CC1	ZINC000104716144	525426992	/nfs/dbraw/zinc/42/69/92/525426992.db2.gz	JTTOPGGTVZTRFB-UHFFFAOYSA-N	1	0	351.472	1.683	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000118095701	525436829	/nfs/dbraw/zinc/43/68/29/525436829.db2.gz	DONCPRVLIWFVKQ-LBPRGKRZSA-N	1	0	366.368	1.699	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1	ZINC000127732116	525454759	/nfs/dbraw/zinc/45/47/59/525454759.db2.gz	AWLYPSZRWJHHCO-HOCLYGCPSA-N	1	0	365.499	1.706	20	30		FDEDRO
N#Cc1cccc(OC2CC[NH+](C[C@@H](O)COC[C@H]3CCCO3)CC2)c1	ZINC000104963110	525455578	/nfs/dbraw/zinc/45/55/78/525455578.db2.gz	ONHAVVNGELPHTR-YLJYHZDGSA-N	1	0	360.454	1.958	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2CC)cc1	ZINC000118124806	525469316	/nfs/dbraw/zinc/46/93/16/525469316.db2.gz	LUPAROVEYGJENX-QGZVFWFLSA-N	1	0	372.469	1.532	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC([C@@H](C)[NH3+])CC2)c1	ZINC000178801588	525484027	/nfs/dbraw/zinc/48/40/27/525484027.db2.gz	HWDCWTGNNNXSPS-CYBMUJFWSA-N	1	0	351.472	1.350	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)CC1	ZINC000178919120	525505159	/nfs/dbraw/zinc/50/51/59/525505159.db2.gz	SILPALRXFBHUJU-DLBZAZTESA-N	1	0	363.458	1.764	20	30		FDEDRO
C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H](CCC#N)c2ccccc2)n1	ZINC000128133471	525506770	/nfs/dbraw/zinc/50/67/70/525506770.db2.gz	PRZQQSJHOQFGSD-INIZCTEOSA-N	1	0	368.441	1.544	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1C#N	ZINC000128154593	525509429	/nfs/dbraw/zinc/50/94/29/525509429.db2.gz	XNFMSDMNTKWMKY-UHFFFAOYSA-N	1	0	371.401	1.782	20	30		FDEDRO
C=CCNc1ncc(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)s1	ZINC000128276159	525521626	/nfs/dbraw/zinc/52/16/26/525521626.db2.gz	VAPPRSACNSAXDU-UHFFFAOYSA-N	1	0	372.498	1.818	20	30		FDEDRO
CC[NH+]=C(NCC(C)(C)C)N1CCN(S(=O)(=O)Cc2ccon2)CC1	ZINC000179069786	525528725	/nfs/dbraw/zinc/52/87/25/525528725.db2.gz	AKUZOINSUDRGFU-UHFFFAOYSA-N	1	0	371.507	1.134	20	30		FDEDRO
C[NH+]=C(NC[C@@H](C)N1CCc2sccc2C1)N1CCO[C@@H](COC)C1	ZINC000179260957	525549748	/nfs/dbraw/zinc/54/97/48/525549748.db2.gz	JSLLQLXDACLEJN-GDBMZVCRSA-N	1	0	366.531	1.417	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CCNS(=O)(=O)c2cccs2)CC1	ZINC000106040542	525553841	/nfs/dbraw/zinc/55/38/41/525553841.db2.gz	FGJKMYKOHSLIES-UHFFFAOYSA-N	1	0	371.528	1.573	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CN2C(=O)c3ccc(C)cc3C2=O)CC1	ZINC000106040118	525554224	/nfs/dbraw/zinc/55/42/24/525554224.db2.gz	STTMCTNYMRJNBU-UHFFFAOYSA-N	1	0	355.438	1.748	20	30		FDEDRO
Cn1cc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)c(-c2cccs2)n1	ZINC000179425944	525583938	/nfs/dbraw/zinc/58/39/38/525583938.db2.gz	WAMGRKQILDWZRQ-MSUUIHNZSA-N	1	0	357.439	1.765	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@H](Cn4cncn4)C3)C2=O)cc1	ZINC000106173770	525653474	/nfs/dbraw/zinc/65/34/74/525653474.db2.gz	HPNDIWDLRBVLGT-WMZOPIPTSA-N	1	0	350.426	1.667	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)C(=O)N(C)CCC#N	ZINC000180122769	525665958	/nfs/dbraw/zinc/66/59/58/525665958.db2.gz	KBWRLQMYYZGUBO-XGWLTEMNSA-N	1	0	362.861	1.962	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1	ZINC000106252977	525684745	/nfs/dbraw/zinc/68/47/45/525684745.db2.gz	IPXVKAQPTXFLBT-UHFFFAOYSA-N	1	0	352.460	1.496	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1	ZINC000130018863	525714582	/nfs/dbraw/zinc/71/45/82/525714582.db2.gz	IIADHSPYESZESG-MRXNPFEDSA-N	1	0	358.486	1.858	20	30		FDEDRO
CC(C)([NH2+]C[C@H](O)COc1ccc(C#N)cc1)C(=O)NCC1CCCC1	ZINC000155082792	525737770	/nfs/dbraw/zinc/73/77/70/525737770.db2.gz	DRELPMDCMAOCGM-KRWDZBQOSA-N	1	0	359.470	1.973	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)CC[C@H]1CCCO1	ZINC000155100264	525743896	/nfs/dbraw/zinc/74/38/96/525743896.db2.gz	SRACJQLDZNKPQZ-GOSISDBHSA-N	1	0	365.499	1.821	20	30		FDEDRO
C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1	ZINC000155189566	525776078	/nfs/dbraw/zinc/77/60/78/525776078.db2.gz	PMMBWBOCVDVGIC-GFCCVEGCSA-N	1	0	358.261	1.645	20	30		FDEDRO
C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1	ZINC000155217178	525784837	/nfs/dbraw/zinc/78/48/37/525784837.db2.gz	JVHWZJCHADCZNE-NSHDSACASA-N	1	0	372.288	1.893	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)Oc3ccc(C#N)cc3)C2)CC1	ZINC000106801981	525790199	/nfs/dbraw/zinc/79/01/99/525790199.db2.gz	DUVFMLIQFWMXAX-FUHWJXTLSA-N	1	0	356.470	1.564	20	30		FDEDRO
CC[N@H+](CCNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)C(C)C	ZINC000119811760	525872432	/nfs/dbraw/zinc/87/24/32/525872432.db2.gz	DIJBXEUSQBOOQX-HNNXBMFYSA-N	1	0	359.478	1.299	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccn(CCC#N)n2)C1	ZINC000155478166	525875700	/nfs/dbraw/zinc/87/57/00/525875700.db2.gz	YHCMAQFDVOGTBU-OAHLLOKOSA-N	1	0	360.462	1.219	20	30		FDEDRO
COC[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1ccccc1	ZINC000181674972	525889677	/nfs/dbraw/zinc/88/96/77/525889677.db2.gz	QFPPHTIWYFRGAI-MOPGFXCFSA-N	1	0	358.486	1.656	20	30		FDEDRO
CC[NH+]=C(NCc1cn(C)nc1C(F)(F)F)N[C@@H]1CCC(=O)N(C)C1	ZINC000155595553	525917361	/nfs/dbraw/zinc/91/73/61/525917361.db2.gz	KTLYQXKOFDXODA-LLVKDONJSA-N	1	0	360.384	1.115	20	30		FDEDRO
CO/N=C/c1ccc(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)cc1	ZINC000155644655	525930719	/nfs/dbraw/zinc/93/07/19/525930719.db2.gz	XDADTHGMKHZWMU-HYARGMPZSA-N	1	0	356.426	1.932	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1	ZINC000108340912	525958950	/nfs/dbraw/zinc/95/89/50/525958950.db2.gz	ZKDLNKFCZUNURU-CQSZACIVSA-N	1	0	351.472	1.223	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1	ZINC000108612008	526003627	/nfs/dbraw/zinc/00/36/27/526003627.db2.gz	BDIYKOLUZBJRHH-MRXNPFEDSA-N	1	0	357.454	1.874	20	30		FDEDRO
C[C@@]1(n2cc(C[NH2+]CCOc3ccc(C#N)cc3)cn2)CCS(=O)(=O)C1	ZINC000133126491	526025735	/nfs/dbraw/zinc/02/57/35/526025735.db2.gz	UDKOOSXBFYYDGY-GOSISDBHSA-N	1	0	374.466	1.457	20	30		FDEDRO
C=CCCS(=O)(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1	ZINC000120363335	526038564	/nfs/dbraw/zinc/03/85/64/526038564.db2.gz	VMQNJEYQEBHEJK-UHFFFAOYSA-N	1	0	351.516	1.642	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1	ZINC000109159159	526083649	/nfs/dbraw/zinc/08/36/49/526083649.db2.gz	HAHAPPFCKCEUMK-UHFFFAOYSA-N	1	0	360.458	1.523	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)N[C@H]1CCCN(c2ccccc2C#N)C1	ZINC000109168298	526086136	/nfs/dbraw/zinc/08/61/36/526086136.db2.gz	DYBGPMZCLSUXRG-SFHVURJKSA-N	1	0	373.501	1.795	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1	ZINC000171721498	526093025	/nfs/dbraw/zinc/09/30/25/526093025.db2.gz	CCBRWEAEDDMTGP-UHFFFAOYSA-N	1	0	356.401	1.752	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc(C#N)c2)[C@H](C)C[NH2+]1	ZINC000156265796	526095599	/nfs/dbraw/zinc/09/55/99/526095599.db2.gz	SLKONNWMEZSCLG-NXEZZACHSA-N	1	0	358.261	1.692	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NC[C@H](O)c3ccccc3)=[NH+]C[C@H]2C1	ZINC000133858197	526100544	/nfs/dbraw/zinc/10/05/44/526100544.db2.gz	BJLWRLGZPNHRIC-HOTGVXAUSA-N	1	0	360.458	1.601	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(c3ncccc3C#N)CC2)CC1	ZINC000171736822	526103240	/nfs/dbraw/zinc/10/32/40/526103240.db2.gz	HEJMVDBKCLKMTG-UHFFFAOYSA-N	1	0	354.458	1.435	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1	ZINC000171871074	526160979	/nfs/dbraw/zinc/16/09/79/526160979.db2.gz	LCYWRDOKWAIBTQ-UHFFFAOYSA-N	1	0	356.382	1.817	20	30		FDEDRO
C[C@H](C(=O)Nc1ccccc1C#N)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1	ZINC000109754329	526175290	/nfs/dbraw/zinc/17/52/90/526175290.db2.gz	HWVMJBGNFPZRSX-IEBWSBKVSA-N	1	0	369.513	1.987	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CNC(=O)C(=O)Nc2ccc(C#N)cc2)cc1	ZINC000120770786	526177691	/nfs/dbraw/zinc/17/76/91/526177691.db2.gz	VDUAWRNJGVKTMA-UHFFFAOYSA-N	1	0	366.421	1.754	20	30		FDEDRO
N#Cc1ccc(C(=O)Nc2ccccc2C[N@H+]2CCC[C@@H](C(N)=O)C2)[nH]1	ZINC000120900651	526214831	/nfs/dbraw/zinc/21/48/31/526214831.db2.gz	XIQGRWGCWPSCBJ-CQSZACIVSA-N	1	0	351.410	1.836	20	30		FDEDRO
COCC(C)(C)[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000182748538	535856538	/nfs/dbraw/zinc/85/65/38/535856538.db2.gz	UMIQCXOEBREGBC-AWEZNQCLSA-N	1	0	350.488	1.472	20	30		FDEDRO
CNC(=O)CC1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000182820381	535869069	/nfs/dbraw/zinc/86/90/69/535869069.db2.gz	DWOWFMQDNOPDQY-SFHVURJKSA-N	1	0	354.454	1.902	20	30		FDEDRO
C=C(C)CN(C)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-]	ZINC000182862809	535877575	/nfs/dbraw/zinc/87/75/75/535877575.db2.gz	FDIXMEFNNLEYOC-UHFFFAOYSA-N	1	0	356.448	1.447	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)NCc1ccccc1CN1CC[NH+](CC)CC1	ZINC000183041689	535908766	/nfs/dbraw/zinc/90/87/66/535908766.db2.gz	SBNQGOFSGCGNOP-LJQANCHMSA-N	1	0	360.502	1.560	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NCC2(C)CC[NH2+]CC2)ccc1F	ZINC000183330459	535963103	/nfs/dbraw/zinc/96/31/03/535963103.db2.gz	KMJZHUZXKJTLBL-UHFFFAOYSA-N	1	0	369.462	1.410	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN[C@H](CO)c1cccc(Br)c1	ZINC000183910400	536065349	/nfs/dbraw/zinc/06/53/49/536065349.db2.gz	BJPZJDCLMBGDNR-GFCCVEGCSA-N	1	0	356.220	1.084	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCNC(=O)[C@H]2c2ccc(F)cc2C)CC1	ZINC000184345356	536137802	/nfs/dbraw/zinc/13/78/02/536137802.db2.gz	VIKVETUSHNGDKJ-GOSISDBHSA-N	1	0	357.429	1.479	20	30		FDEDRO
C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1cccc(Cl)c1C#N	ZINC000185347688	536206165	/nfs/dbraw/zinc/20/61/65/536206165.db2.gz	UDCQKMLOJUNJFZ-ZDUSSCGKSA-N	1	0	370.906	1.516	20	30		FDEDRO
CC[N@H+](CCO)CCNC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000187104977	536254667	/nfs/dbraw/zinc/25/46/67/536254667.db2.gz	KHFAVSSFSRZLSD-UHFFFAOYSA-N	1	0	357.376	1.670	20	30		FDEDRO
C#CCCCCNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1	ZINC000187228497	536258228	/nfs/dbraw/zinc/25/82/28/536258228.db2.gz	WGXXUTXFLQNOCK-UHFFFAOYSA-N	1	0	356.470	1.687	20	30		FDEDRO
COC(=O)C1(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1	ZINC000187304422	536261171	/nfs/dbraw/zinc/26/11/71/536261171.db2.gz	OJICZXNPIOTCLG-UHFFFAOYSA-N	1	0	370.453	1.729	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1	ZINC000188106351	536283027	/nfs/dbraw/zinc/28/30/27/536283027.db2.gz	XBAZLLKRAXGGKA-QGZVFWFLSA-N	1	0	356.470	1.942	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1	ZINC000188286694	536288838	/nfs/dbraw/zinc/28/88/38/536288838.db2.gz	ZFPGPHDDNHPNHR-FQEVSTJZSA-N	1	0	358.486	1.317	20	30		FDEDRO
C[NH+]=C(NCc1c(C)nn(C)c1C)NCc1ccc(-n2ccnc2C)nc1	ZINC000262859640	536922594	/nfs/dbraw/zinc/92/25/94/536922594.db2.gz	YYRLUNBSFPBGCQ-UHFFFAOYSA-N	1	0	366.473	1.791	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cnn([C@H](C)C3CC3)c2)CC1	ZINC000188680957	536926892	/nfs/dbraw/zinc/92/68/92/536926892.db2.gz	JKERKQWGHPQKCI-CQSZACIVSA-N	1	0	359.474	1.949	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000246359279	536935585	/nfs/dbraw/zinc/93/55/85/536935585.db2.gz	IGQZREHHYPMOKN-HUUCEWRRSA-N	1	0	357.462	1.053	20	30		FDEDRO
C[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H]1N1CCOCC1	ZINC000246515427	536971023	/nfs/dbraw/zinc/97/10/23/536971023.db2.gz	QWOMKHPUGHULPW-ATZDWAIDSA-N	1	0	354.454	1.316	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(NCc2ccccn2)=[NH+]C2CCCCC2)C1	ZINC000263116039	536976839	/nfs/dbraw/zinc/97/68/39/536976839.db2.gz	FUWFZBHTKQKAFO-OAHLLOKOSA-N	1	0	364.515	1.884	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccncc2I)CC1	ZINC000268344798	537012309	/nfs/dbraw/zinc/01/23/09/537012309.db2.gz	CULUJPFKPJQPIS-UHFFFAOYSA-N	1	0	369.206	1.970	20	30		FDEDRO
[NH2+]=C(NCCn1cc([N+](=O)[O-])cn1)NCc1cccc(C(F)(F)F)c1	ZINC000269092895	537018815	/nfs/dbraw/zinc/01/88/15/537018815.db2.gz	PFTRYNBNQZCCDW-UHFFFAOYSA-N	1	0	356.308	1.915	20	30		FDEDRO
CCc1nnc(CON=C(N)CCN2CC[NH+](Cc3ccccc3)CC2)o1	ZINC000269422055	537020803	/nfs/dbraw/zinc/02/08/03/537020803.db2.gz	LZAXWHGPIHKOFW-UHFFFAOYSA-N	1	0	372.473	1.629	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)CCNC(=O)C2N=CC=CC2=O)C1	ZINC000269725877	537021949	/nfs/dbraw/zinc/02/19/49/537021949.db2.gz	VCNWFBOXAAGIKU-IJYGLTAASA-N	1	0	362.474	1.387	20	30		FDEDRO
C[C@@H](O)C[NH+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1	ZINC000189355543	537031841	/nfs/dbraw/zinc/03/18/41/537031841.db2.gz	VFHCQJULCUENOF-CYBMUJFWSA-N	1	0	362.499	1.435	20	30		FDEDRO
CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)C1	ZINC000246822890	537033751	/nfs/dbraw/zinc/03/37/51/537033751.db2.gz	DNTPXBHEYNAGTH-DOTOQJQBSA-N	1	0	356.474	1.514	20	30		FDEDRO
C[C@@H](O)C[N@@H+]1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)C1	ZINC000189553885	537064489	/nfs/dbraw/zinc/06/44/89/537064489.db2.gz	JKLUDEULYMRXRU-QWHCGFSZSA-N	1	0	350.850	1.537	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)CC1	ZINC000189728434	537086410	/nfs/dbraw/zinc/08/64/10/537086410.db2.gz	ARLDGUBENLQHRG-ZWKOTPCHSA-N	1	0	361.486	1.194	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)CC1	ZINC000263773156	537095471	/nfs/dbraw/zinc/09/54/71/537095471.db2.gz	TWONIMMXUHWTCJ-SFHVURJKSA-N	1	0	372.444	1.893	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1	ZINC000247484925	537124212	/nfs/dbraw/zinc/12/42/12/537124212.db2.gz	GEBZUWOMHRTEQJ-HZPDHXFCSA-N	1	0	372.469	1.788	20	30		FDEDRO
CCO[C@H]1C[C@@](CO)([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1(C)C	ZINC000189992108	537124667	/nfs/dbraw/zinc/12/46/67/537124667.db2.gz	SHPROABOZISYQR-WMZOPIPTSA-N	1	0	366.483	1.488	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)n1	ZINC000190026665	537128919	/nfs/dbraw/zinc/12/89/19/537128919.db2.gz	DOOASVIDHVHFLT-HNNXBMFYSA-N	1	0	358.446	1.361	20	30		FDEDRO
CCOCCC[NH+]=C(NCCC(=O)OC)NCc1ccc(OC)cc1	ZINC000263967191	537133395	/nfs/dbraw/zinc/13/33/95/537133395.db2.gz	MOVLXROSEHCAJM-UHFFFAOYSA-N	1	0	351.447	1.720	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1cccc(OCC(F)(F)F)c1	ZINC000264055015	537136785	/nfs/dbraw/zinc/13/67/85/537136785.db2.gz	AHLUZSAPMWBPMQ-UHFFFAOYSA-N	1	0	374.407	1.754	20	30		FDEDRO
CCCOc1ccc(CNC(=[NH2+])NCCCN2CCOCC2)cc1OC	ZINC000264106145	537137864	/nfs/dbraw/zinc/13/78/64/537137864.db2.gz	PNUSBFQRBKITKK-UHFFFAOYSA-N	1	0	364.490	1.611	20	30		FDEDRO
COc1ccccc1CNC(=[NH2+])NCC(=O)N1CCc2ccccc2C1	ZINC000264160422	537138514	/nfs/dbraw/zinc/13/85/14/537138514.db2.gz	BFHGGGWXLQWAFY-UHFFFAOYSA-N	1	0	352.438	1.684	20	30		FDEDRO
C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)N3CCO[C@H](C#N)C3)cc2)C1	ZINC000264393853	537143138	/nfs/dbraw/zinc/14/31/38/537143138.db2.gz	CPTXHORTMACGHC-CRAIPNDOSA-N	1	0	370.453	1.608	20	30		FDEDRO
C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)N3CCO[C@@H](C#N)C3)cc2)C1	ZINC000264393857	537143323	/nfs/dbraw/zinc/14/33/23/537143323.db2.gz	CPTXHORTMACGHC-QAPCUYQASA-N	1	0	370.453	1.608	20	30		FDEDRO
N#Cc1c(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cn2ccccc12	ZINC000247659295	537143367	/nfs/dbraw/zinc/14/33/67/537143367.db2.gz	RHOKTZTVGLKXDH-MRXNPFEDSA-N	1	0	352.438	1.882	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1	ZINC000264553459	537145543	/nfs/dbraw/zinc/14/55/43/537145543.db2.gz	KDJVHIQNUFRSLE-GJZGRUSLSA-N	1	0	360.433	1.797	20	30		FDEDRO
CO/N=C/c1ccc(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1	ZINC000264573191	537145649	/nfs/dbraw/zinc/14/56/49/537145649.db2.gz	XMXXNHWEURSAAM-QTKYHAHDSA-N	1	0	358.486	1.909	20	30		FDEDRO
COc1ccc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1OC(F)F	ZINC000264953336	537150699	/nfs/dbraw/zinc/15/06/99/537150699.db2.gz	LJSGBMVSFYEWGZ-NXVVXOECSA-N	1	0	367.352	1.913	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1	ZINC000265532777	537154417	/nfs/dbraw/zinc/15/44/17/537154417.db2.gz	JLRWMOCRRDRIKN-QGZVFWFLSA-N	1	0	372.469	1.832	20	30		FDEDRO
CC[C@@H]1CN([C@H](C)C(=O)NC2(C#N)CCCCC2)CC[N@@H+]1C[C@H](C)O	ZINC000247873062	537155121	/nfs/dbraw/zinc/15/51/21/537155121.db2.gz	XXICDKXLFYEHAR-GVDBMIGSSA-N	1	0	350.507	1.495	20	30		FDEDRO
N#C[C@H]1CCC[C@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1	ZINC000192614356	537227490	/nfs/dbraw/zinc/22/74/90/537227490.db2.gz	OEVLYEGNXAEXKV-IRXDYDNUSA-N	1	0	363.483	1.879	20	30		FDEDRO
C[NH+]=C(NCCc1nc(C)c(C)s1)NC[C@H]1CCc2nnc(C)n2C1	ZINC000261796002	537253239	/nfs/dbraw/zinc/25/32/39/537253239.db2.gz	QXNOXEWGNGQCTC-CQSZACIVSA-N	1	0	361.519	1.630	20	30		FDEDRO
CC1CC[NH+]([C@H](CNC(=O)Cn2cnc(C#N)n2)c2cccs2)CC1	ZINC000193719790	537254907	/nfs/dbraw/zinc/25/49/07/537254907.db2.gz	APHWLOGFNONMQS-CQSZACIVSA-N	1	0	358.471	1.801	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000282229194	537273592	/nfs/dbraw/zinc/27/35/92/537273592.db2.gz	BVQHFHOISWRLHX-VYDXJSESSA-N	1	0	350.488	1.575	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	ZINC000282239119	537280493	/nfs/dbraw/zinc/28/04/93/537280493.db2.gz	NXUDUROUWLRDPE-UHFFFAOYSA-N	1	0	362.449	1.985	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)CC1	ZINC000290243529	537299032	/nfs/dbraw/zinc/29/90/32/537299032.db2.gz	MHVVSWNGPKFUAC-UHFFFAOYSA-N	1	0	365.499	1.348	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)nc1	ZINC000293025258	537299216	/nfs/dbraw/zinc/29/92/16/537299216.db2.gz	LQOLRQRAEQEDPO-KRWDZBQOSA-N	1	0	363.421	1.845	20	30		FDEDRO
CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)CCOc1cccc(C#N)c1	ZINC000272764770	537329574	/nfs/dbraw/zinc/32/95/74/537329574.db2.gz	RGQWNTCZBHZJSP-QGZVFWFLSA-N	1	0	360.458	1.419	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NCC1CC[NH+](Cc2ccccc2)CC1	ZINC000282928435	537346168	/nfs/dbraw/zinc/34/61/68/537346168.db2.gz	TVNZIHUNWVYIEI-INIZCTEOSA-N	1	0	364.515	1.824	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1	ZINC000333538167	537349342	/nfs/dbraw/zinc/34/93/42/537349342.db2.gz	IXQAVLWOMZKKIW-ZJPYXAASSA-N	1	0	351.491	1.896	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)n1	ZINC000279576735	537350028	/nfs/dbraw/zinc/35/00/28/537350028.db2.gz	UEXCVTIFXPZRMC-OALUTQOASA-N	1	0	373.501	1.426	20	30		FDEDRO
C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3cc(C#N)cn3C(C)(C)C)C2)C1	ZINC000293135699	537365819	/nfs/dbraw/zinc/36/58/19/537365819.db2.gz	GEWMWEDTNZAQKS-LJQANCHMSA-N	1	0	357.458	1.607	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1	ZINC000283591506	537382717	/nfs/dbraw/zinc/38/27/17/537382717.db2.gz	VRVXWNDZQYIEFA-OAHLLOKOSA-N	1	0	365.499	1.710	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N(C)Cc1nccn1C)C(C)C	ZINC000283904298	537392357	/nfs/dbraw/zinc/39/23/57/537392357.db2.gz	FYKJATVREHGIHS-MRXNPFEDSA-N	1	0	361.490	1.193	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1	ZINC000293229334	537394205	/nfs/dbraw/zinc/39/42/05/537394205.db2.gz	DUHXSGIIFMITMT-FQEVSTJZSA-N	1	0	355.438	1.581	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(C2CC[NH+]([C@H](C)c3ccncc3)CC2)C1=O	ZINC000348609416	537397820	/nfs/dbraw/zinc/39/78/20/537397820.db2.gz	WMJLSYKRXPHYRM-RHSMWYFYSA-N	1	0	358.442	1.730	20	30		FDEDRO
CC#CCN(C)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1	ZINC000293257349	537401220	/nfs/dbraw/zinc/40/12/20/537401220.db2.gz	BJSDGMVRVKAAAZ-UHFFFAOYSA-N	1	0	351.834	1.701	20	30		FDEDRO
C=CCCCNC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1	ZINC000284250509	537404380	/nfs/dbraw/zinc/40/43/80/537404380.db2.gz	MOOMPIUCMZADGN-LJQANCHMSA-N	1	0	372.513	1.564	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[C@H]1C	ZINC000293302243	537412773	/nfs/dbraw/zinc/41/27/73/537412773.db2.gz	DWIFBYFVIIMDOA-KGLIPLIRSA-N	1	0	369.425	1.795	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)N[C@@H]2CCCN(c3ccccc3C#N)C2)CC1	ZINC000365150498	537439927	/nfs/dbraw/zinc/43/99/27/537439927.db2.gz	HCLIJLTVSJIVKR-LJQANCHMSA-N	1	0	369.513	1.671	20	30		FDEDRO
N#CCCCCNC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1	ZINC000287192557	537440677	/nfs/dbraw/zinc/44/06/77/537440677.db2.gz	UCYFUNCRPXPAQO-UHFFFAOYSA-N	1	0	362.499	1.886	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1	ZINC000218928389	537469812	/nfs/dbraw/zinc/46/98/12/537469812.db2.gz	OTWSWSVIOMUKPB-MRXNPFEDSA-N	1	0	357.366	1.875	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccccc2COCC)CC1	ZINC000284678123	537473196	/nfs/dbraw/zinc/47/31/96/537473196.db2.gz	VGVFQJSWPLJRDJ-UHFFFAOYSA-N	1	0	373.497	1.996	20	30		FDEDRO
CC(C)[C@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)N1CC[NH+](C)CC1	ZINC000293518172	537497374	/nfs/dbraw/zinc/49/73/74/537497374.db2.gz	SRRSQRXZQOHXPP-KRWDZBQOSA-N	1	0	368.478	1.248	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc(N2CCOC2=O)cc1	ZINC000271794239	537498475	/nfs/dbraw/zinc/49/84/75/537498475.db2.gz	KXLCENDZQAJFOV-HNNXBMFYSA-N	1	0	369.425	1.950	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1	ZINC000288464504	537507552	/nfs/dbraw/zinc/50/75/52/537507552.db2.gz	QEKNGMBTNGAKGC-UHFFFAOYSA-N	1	0	371.481	1.460	20	30		FDEDRO
C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CC(=O)NCc2ccc(C#N)cc2)C[C@@H](C)O1	ZINC000299249511	537510404	/nfs/dbraw/zinc/51/04/04/537510404.db2.gz	ATYPKHXLEDQCSN-HLIPFELVSA-N	1	0	370.497	1.748	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1	ZINC000274573018	537527643	/nfs/dbraw/zinc/52/76/43/537527643.db2.gz	BIQZLGYCCYGULK-HNNXBMFYSA-N	1	0	362.449	1.985	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)CC[NH+](C)C)cc1	ZINC000299373086	537557471	/nfs/dbraw/zinc/55/74/71/537557471.db2.gz	MVLQDRBWEOVZDY-AWEZNQCLSA-N	1	0	368.503	1.955	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000276506879	537558470	/nfs/dbraw/zinc/55/84/70/537558470.db2.gz	WWBCMVVHWRHSDZ-UHFFFAOYSA-N	1	0	358.486	1.797	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@](C)(C[NH3+])CC(C)C)cc1	ZINC000236698580	537596717	/nfs/dbraw/zinc/59/67/17/537596717.db2.gz	QYGIGOJSIZQGPJ-KRWDZBQOSA-N	1	0	353.488	1.644	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)CC1	ZINC000363554240	537612396	/nfs/dbraw/zinc/61/23/96/537612396.db2.gz	DAMULUMOMPJXNC-HXUWFJFHSA-N	1	0	367.493	1.824	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1	ZINC000289957214	537636226	/nfs/dbraw/zinc/63/62/26/537636226.db2.gz	YXSZWEXEQARRFB-MRXNPFEDSA-N	1	0	371.481	1.976	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)CSc1nncn1-c1ccc(OC)cc1	ZINC000293995854	537637567	/nfs/dbraw/zinc/63/75/67/537637567.db2.gz	OILDTZWZPCEPET-UHFFFAOYSA-N	1	0	373.482	1.439	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC2CC[NH+](C3CCCCC3)CC2)nc1	ZINC000293994863	537637667	/nfs/dbraw/zinc/63/76/67/537637667.db2.gz	DIDDKEMITXTYFN-UHFFFAOYSA-N	1	0	355.442	1.805	20	30		FDEDRO
NS(=O)(=O)C1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1	ZINC000329611089	537640332	/nfs/dbraw/zinc/64/03/32/537640332.db2.gz	NZKROIXIPJWAEG-UHFFFAOYSA-N	1	0	372.535	1.450	20	30		FDEDRO
Cc1cnn([C@@H]2CCN(C([O-])=[NH+]C3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)C2)c1	ZINC000329653272	537641573	/nfs/dbraw/zinc/64/15/73/537641573.db2.gz	LDJVGXWHSWDRKP-KURKYZTESA-N	1	0	361.490	1.730	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1nnn(-c2cccc3cccnc32)c1C	ZINC000294017827	537642573	/nfs/dbraw/zinc/64/25/73/537642573.db2.gz	QFYLSQGVOWTAAN-UHFFFAOYSA-N	1	0	362.437	1.809	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)N2CCO[C@@H](c3nnc(C(C)C)o3)C2)CC1	ZINC000329917005	537645001	/nfs/dbraw/zinc/64/50/01/537645001.db2.gz	QPJFIRRTLGVYRW-CQSZACIVSA-N	1	0	351.451	1.965	20	30		FDEDRO
Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)NC[C@@H]2CCCO2)on1	ZINC000329919817	537645969	/nfs/dbraw/zinc/64/59/69/537645969.db2.gz	DQBAWCWKRIBEDY-KKUMJFAQSA-N	1	0	354.426	1.920	20	30		FDEDRO
CN1CCO[C@@H]2CN(C(=O)N[C@H](c3ccc4c(c3)OCCO4)C3CC3)C[C@H]21	ZINC000329918673	537646258	/nfs/dbraw/zinc/64/62/58/537646258.db2.gz	RIEIVBDLVFLJSI-LZQZEXGQSA-N	1	0	373.453	1.838	20	30		FDEDRO
CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](S(C)(=O)=O)C2)C1	ZINC000330425113	537656727	/nfs/dbraw/zinc/65/67/27/537656727.db2.gz	RXCJOMKLFDBPPA-CABCVRRESA-N	1	0	359.536	1.920	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(OC)c(S(=O)(=O)NC)c2)C1	ZINC000330515317	537657778	/nfs/dbraw/zinc/65/77/78/537657778.db2.gz	VMFFCYGZRFJIHH-ZDUSSCGKSA-N	1	0	355.460	1.392	20	30		FDEDRO
C[C@H]1CS(=O)(=O)CCN1C(=O)NCc1ccc(C[NH+](C)C)c(F)c1	ZINC000330511827	537658159	/nfs/dbraw/zinc/65/81/59/537658159.db2.gz	FNHQPKOQANXZMS-LBPRGKRZSA-N	1	0	357.451	1.420	20	30		FDEDRO
CNC(=O)c1ccc(OC)c(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)c1	ZINC000330665860	537659754	/nfs/dbraw/zinc/65/97/54/537659754.db2.gz	HJRJPVSLCJWILM-UHFFFAOYSA-N	1	0	364.446	1.564	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCCc2ccc(OC)cc2)CC1	ZINC000285516834	537725091	/nfs/dbraw/zinc/72/50/91/537725091.db2.gz	OILMPHKVOWEBOO-UHFFFAOYSA-N	1	0	373.497	1.901	20	30		FDEDRO
COc1ccc(C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1C#N	ZINC000285606418	537736001	/nfs/dbraw/zinc/73/60/01/537736001.db2.gz	MIPDKFNJDAGUML-HNNXBMFYSA-N	1	0	351.472	1.670	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292450868	537737585	/nfs/dbraw/zinc/73/75/85/537737585.db2.gz	ZDLNVUKVQIWKPN-IAGOWNOFSA-N	1	0	357.458	1.990	20	30		FDEDRO
C=CCCCCNC(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000285708338	537748623	/nfs/dbraw/zinc/74/86/23/537748623.db2.gz	MBDQPAGFOOUYLB-UHFFFAOYSA-N	1	0	374.485	1.067	20	30		FDEDRO
N#CCN1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CC1	ZINC000375801651	537774408	/nfs/dbraw/zinc/77/44/08/537774408.db2.gz	MMLAMDJEOKJDJA-QGZVFWFLSA-N	1	0	362.424	1.812	20	30		FDEDRO
CC(C)[NH+]1CCN([C@H]2CCN([C@H](C)C(=O)Nc3ccccc3C#N)C2)CC1	ZINC000375904878	537797614	/nfs/dbraw/zinc/79/76/14/537797614.db2.gz	LKFKXHVMWBJMNY-MJGOQNOKSA-N	1	0	369.513	1.986	20	30		FDEDRO
CC(C)[NH+]1CCN([C@H]2CCN([C@@H](C)C(=O)Nc3ccccc3C#N)C2)CC1	ZINC000375904876	537798322	/nfs/dbraw/zinc/79/83/22/537798322.db2.gz	LKFKXHVMWBJMNY-HKUYNNGSSA-N	1	0	369.513	1.986	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CC(=O)NCc1cccc(C#N)c1	ZINC000371293903	537805446	/nfs/dbraw/zinc/80/54/46/537805446.db2.gz	IEZZQLJEKDABIW-QYZOEREBSA-N	1	0	356.470	1.358	20	30		FDEDRO
CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCC(C)(C)CC#N)c2)CC1	ZINC000411642549	537811662	/nfs/dbraw/zinc/81/16/62/537811662.db2.gz	ILWWOQPXWFCKCS-UHFFFAOYSA-N	1	0	371.485	1.823	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1	ZINC000418912490	537843995	/nfs/dbraw/zinc/84/39/95/537843995.db2.gz	DEMWZXHPIYTARR-OAHLLOKOSA-N	1	0	374.510	1.495	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C	ZINC000409552874	537859920	/nfs/dbraw/zinc/85/99/20/537859920.db2.gz	LLCLMKXTCFPGOW-YOEHRIQHSA-N	1	0	368.503	1.614	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1	ZINC000409553533	537860558	/nfs/dbraw/zinc/86/05/58/537860558.db2.gz	FDPSJDZEUBYFLH-OAHLLOKOSA-N	1	0	350.488	1.503	20	30		FDEDRO
C[NH2+][C@H](C)CNC(=O)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	ZINC000419036101	537903316	/nfs/dbraw/zinc/90/33/16/537903316.db2.gz	PHQANRLVJQVNCE-IUDNXUCKSA-N	1	0	358.442	1.089	20	30		FDEDRO
C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1	ZINC000372314669	537919687	/nfs/dbraw/zinc/91/96/87/537919687.db2.gz	FVEJMJOHNFLYRV-CQSZACIVSA-N	1	0	356.405	2.298	20	30		FDEDRO
COC(=O)c1cn([C@H]2CCC[N@H+](Cc3ccc(C#N)c(OC)c3)C2)nn1	ZINC000367024161	537920894	/nfs/dbraw/zinc/92/08/94/537920894.db2.gz	ORSDHYBWERENPL-HNNXBMFYSA-N	1	0	355.398	1.782	20	30		FDEDRO
O=C(NCC#Cc1cccc(C(F)(F)F)c1)C(=O)NC[C@@H]1CCC[NH2+]C1	ZINC000419116159	537945145	/nfs/dbraw/zinc/94/51/45/537945145.db2.gz	OOTWIMUDNGVJJT-CQSZACIVSA-N	1	0	367.371	1.289	20	30		FDEDRO
C[N@H+](C[C@@H]1CC12CCN(C(=O)N=c1ccn(CCC#N)[nH]1)CC2)C1CC1	ZINC000367302730	537957205	/nfs/dbraw/zinc/95/72/05/537957205.db2.gz	KHQJWORXCXVLNV-HNNXBMFYSA-N	1	0	356.474	2.525	20	30		FDEDRO
C[N@H+](CC(=O)N(CCC#N)CCC#N)C1CCN(Cc2ccncc2)CC1	ZINC000372587432	537978655	/nfs/dbraw/zinc/97/86/55/537978655.db2.gz	WDKOHTQPTQHIEU-UHFFFAOYSA-N	1	0	368.485	1.634	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CCC[N@@H+]1CCc1ccccc1	ZINC000369212111	538003594	/nfs/dbraw/zinc/00/35/94/538003594.db2.gz	ALQDJYICJAKRML-AEFFLSMTSA-N	1	0	364.515	1.762	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H]1CCCN(Cc2noc(CC)n2)C1	ZINC000369238140	538006608	/nfs/dbraw/zinc/00/66/08/538006608.db2.gz	RFYJBYHPGZWCEY-MRXNPFEDSA-N	1	0	361.490	1.729	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H]1CCCN(Cc2noc(CC)n2)C1	ZINC000369246659	538007421	/nfs/dbraw/zinc/00/74/21/538007421.db2.gz	YOBRWYUQGRYMQD-INIZCTEOSA-N	1	0	363.506	1.953	20	30		FDEDRO
Cc1cc(NC(=O)NCCC[N@@H+](C)CCN(C)C)c(C#N)cc1N(C)C	ZINC000417153471	538010305	/nfs/dbraw/zinc/01/03/05/538010305.db2.gz	JMASEFBFXZISLA-UHFFFAOYSA-N	1	0	360.506	1.938	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1	ZINC000369301093	538013478	/nfs/dbraw/zinc/01/34/78/538013478.db2.gz	ADFIHJKOHCKYBB-AEFFLSMTSA-N	1	0	359.474	1.301	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](Cc2nnc3ccccn32)C1	ZINC000372804436	538033278	/nfs/dbraw/zinc/03/32/78/538033278.db2.gz	MGAHPJHLPWGSTO-HOTGVXAUSA-N	1	0	354.458	1.744	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC[NH2+]1	ZINC000415431587	538045875	/nfs/dbraw/zinc/04/58/75/538045875.db2.gz	KJWRHXJIYKMGEZ-SNVBAGLBSA-N	1	0	370.331	1.258	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC[C@H]1[NH3+]	ZINC000415466908	538065789	/nfs/dbraw/zinc/06/57/89/538065789.db2.gz	UNMSWZPEIOEHGC-TVQRCGJNSA-N	1	0	354.332	1.711	20	30		FDEDRO
CCCN(C(=O)C(=O)NCCOc1ccc(C#N)cc1)C1CC[NH2+]CC1	ZINC000419457810	538070878	/nfs/dbraw/zinc/07/08/78/538070878.db2.gz	AJPXUKAJWOJPFJ-UHFFFAOYSA-N	1	0	358.442	1.044	20	30		FDEDRO
C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000418588617	538096283	/nfs/dbraw/zinc/09/62/83/538096283.db2.gz	IAWMHDGMTRBJOI-KDOFPFPSSA-N	1	0	369.469	1.916	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000419866504	538123277	/nfs/dbraw/zinc/12/32/77/538123277.db2.gz	ULGKXKXGCQMUAC-VEHMJYNQSA-N	1	0	366.465	1.684	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1	ZINC000419877563	538128165	/nfs/dbraw/zinc/12/81/65/538128165.db2.gz	FSZXMKOVHHIFQO-GDBMZVCRSA-N	1	0	374.441	1.614	20	30		FDEDRO
CCCN(C(=O)C(=O)N(C)CCOCc1ccc(C#N)cc1)[C@H]1CC[NH2+]C1	ZINC000423649423	538131470	/nfs/dbraw/zinc/13/14/70/538131470.db2.gz	PHDNGFSAPFZWTL-SFHVURJKSA-N	1	0	372.469	1.134	20	30		FDEDRO
COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2CCC(C#N)CC2)cc1	ZINC000419888235	538131753	/nfs/dbraw/zinc/13/17/53/538131753.db2.gz	LMFQGJFLCDFHKA-ROUUACIJSA-N	1	0	370.453	1.019	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cn(CCCC#N)c2ccccc12	ZINC000444231116	538135087	/nfs/dbraw/zinc/13/50/87/538135087.db2.gz	CLTWKLRINCZESL-MRXNPFEDSA-N	1	0	353.470	1.921	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)NCC(=O)NCC[NH+]1CCCCCC1	ZINC000432430136	538146341	/nfs/dbraw/zinc/14/63/41/538146341.db2.gz	JUCQMQARXAKWPS-UHFFFAOYSA-N	1	0	371.485	1.692	20	30		FDEDRO
CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000419998295	538182733	/nfs/dbraw/zinc/18/27/33/538182733.db2.gz	MRZDCISZLFPMCO-QGZVFWFLSA-N	1	0	358.442	1.028	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C	ZINC000420042789	538195855	/nfs/dbraw/zinc/19/58/55/538195855.db2.gz	QXTKTUZTAOLAJW-RHSMWYFYSA-N	1	0	372.469	1.526	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C[NH3+])C2CCCC2)cc1	ZINC000423945543	538195965	/nfs/dbraw/zinc/19/59/65/538195965.db2.gz	UCJACUWGJQBZNS-INIZCTEOSA-N	1	0	351.472	1.398	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NCC1(C)CC[NH2+]CC1	ZINC000420081500	538209431	/nfs/dbraw/zinc/20/94/31/538209431.db2.gz	IEYKAMZMNPMLOB-UHFFFAOYSA-N	1	0	374.441	1.615	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1	ZINC000420088009	538211714	/nfs/dbraw/zinc/21/17/14/538211714.db2.gz	DDFKDZNVRKVVAV-RHSMWYFYSA-N	1	0	365.424	1.951	20	30		FDEDRO
COC[C@]1(C(=O)OC)CC[N@H+](CCC(=O)Nc2sccc2C#N)C1	ZINC000451327906	538231177	/nfs/dbraw/zinc/23/11/77/538231177.db2.gz	IRJQCOAAQHYSFR-INIZCTEOSA-N	1	0	351.428	1.460	20	30		FDEDRO
CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]([NH3+])CCCC#N	ZINC000424091383	538231571	/nfs/dbraw/zinc/23/15/71/538231571.db2.gz	MORNWWRIXTUHHG-HIFRSBDPSA-N	1	0	373.375	1.925	20	30		FDEDRO
Cc1ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc1N1CCCS1(=O)=O	ZINC000424133237	538244625	/nfs/dbraw/zinc/24/46/25/538244625.db2.gz	XEZITPMXBFSQIW-CQSZACIVSA-N	1	0	350.444	1.495	20	30		FDEDRO
C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)[C@@H]([NH3+])CCCC#N	ZINC000424152100	538247265	/nfs/dbraw/zinc/24/72/65/538247265.db2.gz	IGMUJTYPQHMHOA-HKUYNNGSSA-N	1	0	358.486	1.757	20	30		FDEDRO
C[C@@H]1CSC[C@H]1[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000560495644	545524305	/nfs/dbraw/zinc/52/43/05/545524305.db2.gz	HWYBEYZLZUONRK-KFWWJZLASA-N	1	0	364.540	1.798	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000451689278	538302672	/nfs/dbraw/zinc/30/26/72/538302672.db2.gz	IOOCBEACFKVJDJ-HBMCJLEFSA-N	1	0	369.509	1.996	20	30		FDEDRO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2	ZINC000560506190	545528574	/nfs/dbraw/zinc/52/85/74/545528574.db2.gz	NFLAWTZUHAFNBP-UYAOXDASSA-N	1	0	357.454	1.535	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2CCO)c(Cl)c1	ZINC000453829512	538460661	/nfs/dbraw/zinc/46/06/61/538460661.db2.gz	ZQEGYEXNHXXSRI-CYBMUJFWSA-N	1	0	364.833	1.113	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1	ZINC000454097288	538508589	/nfs/dbraw/zinc/50/85/89/538508589.db2.gz	MLQBPXJXZZVCIM-QGZVFWFLSA-N	1	0	372.469	1.482	20	30		FDEDRO
CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)Cn1cnc(C#N)n1	ZINC000494401985	538536118	/nfs/dbraw/zinc/53/61/18/538536118.db2.gz	CLFHLZUZBFVMFK-QGZVFWFLSA-N	1	0	366.469	1.739	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3C[C@H]([NH+](C)C)[C@@H](C)C3)C2)n1	ZINC000472096754	538580105	/nfs/dbraw/zinc/58/01/05/538580105.db2.gz	TWHACOCMPQUQJL-WBAXXEDZSA-N	1	0	355.486	1.887	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)C1	ZINC000466980859	538587146	/nfs/dbraw/zinc/58/71/46/538587146.db2.gz	KOZLWDZFGYLDNJ-SFHVURJKSA-N	1	0	367.453	1.831	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1	ZINC000487088135	538601240	/nfs/dbraw/zinc/60/12/40/538601240.db2.gz	TVUFFOXIWRKSNU-HOTGVXAUSA-N	1	0	365.499	1.754	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2ccc(C#N)s2)c1	ZINC000487306943	538631482	/nfs/dbraw/zinc/63/14/82/538631482.db2.gz	DKEHLAKPVSSQMY-UHFFFAOYSA-N	1	0	356.451	1.841	20	30		FDEDRO
CC1(C)[C@@H](O)CC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000463222634	538675341	/nfs/dbraw/zinc/67/53/41/538675341.db2.gz	JMDGBBUYKJMZQG-ZBFHGGJFSA-N	1	0	362.499	1.302	20	30		FDEDRO
C[C@H](C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1)n1cnc(C#N)n1	ZINC000456344773	538698078	/nfs/dbraw/zinc/69/80/78/538698078.db2.gz	RWMMXNJIEBMVFC-HZPDHXFCSA-N	1	0	352.442	1.691	20	30		FDEDRO
CS[C@@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)C[C@H]1[NH+]1CCCC1	ZINC000483394149	538699537	/nfs/dbraw/zinc/69/95/37/538699537.db2.gz	MXUSMJOWDLDCHX-IAGOWNOFSA-N	1	0	372.494	1.326	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000474172832	538823090	/nfs/dbraw/zinc/82/30/90/538823090.db2.gz	GDVUJASXVVQBGR-INIZCTEOSA-N	1	0	351.472	1.680	20	30		FDEDRO
CC(C)[C@H]1C[N@H+](C)CCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000471217580	538848833	/nfs/dbraw/zinc/84/88/33/538848833.db2.gz	ZDIAAXNIPUWGEM-GOSISDBHSA-N	1	0	366.469	1.954	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)CC1	ZINC000560863345	545622540	/nfs/dbraw/zinc/62/25/40/545622540.db2.gz	IATTVUAQSYYQJX-GOSISDBHSA-N	1	0	356.470	1.382	20	30		FDEDRO
CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1	ZINC000560900809	545629996	/nfs/dbraw/zinc/62/99/96/545629996.db2.gz	LUYRTVJXGLVMEJ-UHFFFAOYSA-N	1	0	371.485	1.313	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@H](OC)C2(CC)CC)CC1	ZINC000561414456	545838765	/nfs/dbraw/zinc/83/87/65/545838765.db2.gz	CDUVVEYOMKUPBD-CVEARBPZSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H](OC)C2(CC)CC)CC1	ZINC000561414458	545838977	/nfs/dbraw/zinc/83/89/77/545838977.db2.gz	CDUVVEYOMKUPBD-HZPDHXFCSA-N	1	0	351.491	1.463	20	30		FDEDRO
COCC[C@H](COC)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000561415753	545839408	/nfs/dbraw/zinc/83/94/08/545839408.db2.gz	JDRBLDWPVKWDIF-LJQANCHMSA-N	1	0	374.485	1.827	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](CC)C2CCOCC2)CC1	ZINC000561453321	545858111	/nfs/dbraw/zinc/85/81/11/545858111.db2.gz	GJFMXBSLHHPCMN-QGZVFWFLSA-N	1	0	351.491	1.465	20	30		FDEDRO
CC[NH+](CC)CCOC1CCN(S(=O)(=O)c2ccc(C#N)o2)CC1	ZINC000561519962	545882283	/nfs/dbraw/zinc/88/22/83/545882283.db2.gz	RMVDZSNOVKIQIE-UHFFFAOYSA-N	1	0	355.460	1.663	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C	ZINC000562010058	546011993	/nfs/dbraw/zinc/01/19/93/546011993.db2.gz	WGFRLEZODSRKHJ-QGZVFWFLSA-N	1	0	356.470	1.753	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC2)c1C#N	ZINC000562253053	546068767	/nfs/dbraw/zinc/06/87/67/546068767.db2.gz	RCFCBNGTFLXBQT-ZDUSSCGKSA-N	1	0	364.519	1.884	20	30		FDEDRO
Cn1c(Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c(C#N)c(=O)n(C)c1=O	ZINC000562412451	546131338	/nfs/dbraw/zinc/13/13/38/546131338.db2.gz	SLIZXYRQBZCZDD-AWEZNQCLSA-N	1	0	355.398	1.084	20	30		FDEDRO
N#Cc1cccc(NC(=O)C2CCN(C(=O)NC[C@H]3CCC[NH2+]C3)CC2)c1	ZINC000562812650	546279657	/nfs/dbraw/zinc/27/96/57/546279657.db2.gz	MOZQTNGZIMPCKT-INIZCTEOSA-N	1	0	369.469	1.918	20	30		FDEDRO
Cc1ncc2c(n1)CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)C2	ZINC000562988807	546343658	/nfs/dbraw/zinc/34/36/58/546343658.db2.gz	SWQRLVCLKNNRBL-QZTJIDSGSA-N	1	0	352.438	1.738	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000563384206	546511676	/nfs/dbraw/zinc/51/16/76/546511676.db2.gz	DSQKVCREZUEHAV-INIZCTEOSA-N	1	0	366.469	1.777	20	30		FDEDRO
C[N@H+](CCc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2cncc(C#N)c2)C1	ZINC000563437290	546535010	/nfs/dbraw/zinc/53/50/10/546535010.db2.gz	YEZHBJAOJDNIJG-GOSISDBHSA-N	1	0	370.478	1.891	20	30		FDEDRO
C=C(C)[C@@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)c1ccc(F)c(F)c1	ZINC000563583852	546598561	/nfs/dbraw/zinc/59/85/61/546598561.db2.gz	CIDPDSZJOONCQU-MRXNPFEDSA-N	1	0	352.385	1.313	20	30		FDEDRO
C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)Nc2cccc(C#N)n2)C1	ZINC000563956443	546753722	/nfs/dbraw/zinc/75/37/22/546753722.db2.gz	ROLUGGACYYOFFK-HUUCEWRRSA-N	1	0	357.458	1.766	20	30		FDEDRO
CN1CC[NH+](C[C@@H](O)CNc2ccc(Oc3ccnc(C#N)c3)cc2)CC1	ZINC000564867984	547074260	/nfs/dbraw/zinc/07/42/60/547074260.db2.gz	MGRCWFUZWLINNE-SFHVURJKSA-N	1	0	367.453	1.766	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)n1	ZINC000564938304	547115823	/nfs/dbraw/zinc/11/58/23/547115823.db2.gz	WMCJMDJYNZHJBY-UHFFFAOYSA-N	1	0	363.421	1.626	20	30		FDEDRO
Cc1ncc2c(n1)CC[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C2	ZINC000565593884	547410219	/nfs/dbraw/zinc/41/02/19/547410219.db2.gz	LHZYAFICYVWNMM-INIZCTEOSA-N	1	0	356.451	1.578	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1	ZINC000565821949	547493699	/nfs/dbraw/zinc/49/36/99/547493699.db2.gz	HRNPGIQNQNCVFI-HZSPNIEDSA-N	1	0	368.416	2.393	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C#N)n2)[C@H](C)C1	ZINC000566204041	547657184	/nfs/dbraw/zinc/65/71/84/547657184.db2.gz	DJCXQOGZRGFMRK-GDBMZVCRSA-N	1	0	373.457	1.145	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCC(=O)N[C@H]2c2cnn(CC)c2)CC1	ZINC000567009090	547962114	/nfs/dbraw/zinc/96/21/14/547962114.db2.gz	IRXDVGGZPOQLSR-AEFFLSMTSA-N	1	0	374.489	1.172	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N2CCC([NH2+]CCOC)CC2)cc1	ZINC000567117828	548001183	/nfs/dbraw/zinc/00/11/83/548001183.db2.gz	WMHXRDZOSJWKOH-UHFFFAOYSA-N	1	0	360.458	1.835	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000567335936	548081705	/nfs/dbraw/zinc/08/17/05/548081705.db2.gz	OHWUAMAOXIPXTB-NUJGCVRESA-N	1	0	357.454	1.914	20	30		FDEDRO
CCc1n[nH]c(=O)c(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c1CC	ZINC000567687740	548213711	/nfs/dbraw/zinc/21/37/11/548213711.db2.gz	ATCHUJBBLDOCBY-CQSZACIVSA-N	1	0	356.426	1.708	20	30		FDEDRO
CSC1(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CCOCC1	ZINC000567689016	548213933	/nfs/dbraw/zinc/21/39/33/548213933.db2.gz	ANSPJVYYRFAAMK-INIZCTEOSA-N	1	0	350.484	1.994	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)NCCC[NH2+]Cc1cccnc1	ZINC000567986826	548348985	/nfs/dbraw/zinc/34/89/85/548348985.db2.gz	FMPVOWJRNRDGAS-UHFFFAOYSA-N	1	0	360.439	1.420	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC(CO)([NH2+]CC2CC2)CC1	ZINC000568096208	548397364	/nfs/dbraw/zinc/39/73/64/548397364.db2.gz	SXSMNSJNISGINZ-MRXNPFEDSA-N	1	0	362.518	1.544	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)ncc1C#N	ZINC000568106779	548401313	/nfs/dbraw/zinc/40/13/13/548401313.db2.gz	WAGROVRYRHQKBQ-MRXNPFEDSA-N	1	0	355.442	1.677	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C	ZINC000568567929	548589337	/nfs/dbraw/zinc/58/93/37/548589337.db2.gz	XAKPBQFWUBAWPV-JYJNAYRXSA-N	1	0	351.491	1.320	20	30		FDEDRO
CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(c2snc(C)c2C#N)CC1	ZINC000568692041	548639800	/nfs/dbraw/zinc/63/98/00/548639800.db2.gz	RJMJCNKOCUHCIH-CYBMUJFWSA-N	1	0	364.519	1.885	20	30		FDEDRO
N#Cc1ccc(C2(C(=O)NCC(=O)NCC[NH+]3CCCCCC3)CC2)cc1	ZINC000568899293	548725765	/nfs/dbraw/zinc/72/57/65/548725765.db2.gz	PZQZFMSXAHIYHD-UHFFFAOYSA-N	1	0	368.481	1.698	20	30		FDEDRO
N#Cc1ccc(OC2CCC(NC(=O)NCC[C@H]3CC[NH2+]C3)CC2)nc1	ZINC000568966608	548747619	/nfs/dbraw/zinc/74/76/19/548747619.db2.gz	KERFSXHNVOWYOW-ODIFPOPNSA-N	1	0	357.458	1.942	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000569333232	548878524	/nfs/dbraw/zinc/87/85/24/548878524.db2.gz	ZLXNTAALKRSCEO-HOTGVXAUSA-N	1	0	363.483	1.569	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1	ZINC000569570681	548964206	/nfs/dbraw/zinc/96/42/06/548964206.db2.gz	DLLJPZPIXFNGHT-IBGZPJMESA-N	1	0	358.486	1.609	20	30		FDEDRO
C[C@@H]1CCCC[C@H]1OCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000570242573	549208681	/nfs/dbraw/zinc/20/86/81/549208681.db2.gz	AZUNLMLGPGIDLM-GDBMZVCRSA-N	1	0	351.472	1.912	20	30		FDEDRO
CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)cc1	ZINC000571277150	549588417	/nfs/dbraw/zinc/58/84/17/549588417.db2.gz	NGDNDLBWNJAAIJ-KRWDZBQOSA-N	1	0	374.462	1.686	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCO[C@@H](CC(C)C)C2)CC1	ZINC000571590374	549700673	/nfs/dbraw/zinc/70/06/73/549700673.db2.gz	VQTWTEBRYBAYIY-ROUUACIJSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(N3CCOCC3)c2)CC1	ZINC000572228030	549869685	/nfs/dbraw/zinc/86/96/85/549869685.db2.gz	OJSUOGJUBCVBAG-UHFFFAOYSA-N	1	0	372.469	1.228	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2	ZINC000572454981	549917386	/nfs/dbraw/zinc/91/73/86/549917386.db2.gz	ACEXKHDIYODKMO-YUTCNCBUSA-N	1	0	361.398	1.428	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2ccnc(N3CCCC3)c2)nc1	ZINC000572475785	549922448	/nfs/dbraw/zinc/92/24/48/549922448.db2.gz	SZNBOABRRYQAGD-UHFFFAOYSA-N	1	0	371.466	1.512	20	30		FDEDRO
C=CCCCS(=O)(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000573103431	550065113	/nfs/dbraw/zinc/06/51/13/550065113.db2.gz	QJAPZCJALPWGRA-SFHVURJKSA-N	1	0	351.516	1.861	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000573227425	550092417	/nfs/dbraw/zinc/09/24/17/550092417.db2.gz	KNCGDMLTWCOLRW-LJQANCHMSA-N	1	0	372.513	1.516	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1	ZINC000573477102	550147334	/nfs/dbraw/zinc/14/73/34/550147334.db2.gz	DSTCXXLJOMTKGF-NUJGCVRESA-N	1	0	364.877	1.408	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)nc1	ZINC000573565181	550165965	/nfs/dbraw/zinc/16/59/65/550165965.db2.gz	WNPBNKATHCEAQE-MJGOQNOKSA-N	1	0	371.462	1.483	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)c(OC)c1	ZINC000573595997	550173398	/nfs/dbraw/zinc/17/33/98/550173398.db2.gz	JPIHXSXTHOJCRP-KZNAEPCWSA-N	1	0	374.481	1.906	20	30		FDEDRO
C[C@H]1C[NH+](CC2CCN(Cc3cnc4c(C#N)cnn4c3)CC2)C[C@H](C)O1	ZINC000574277794	550287631	/nfs/dbraw/zinc/28/76/31/550287631.db2.gz	OSWWCTBTEBEALM-HOTGVXAUSA-N	1	0	368.485	1.922	20	30		FDEDRO
C=CCC1(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CCOCC1	ZINC000574512362	550326230	/nfs/dbraw/zinc/32/62/30/550326230.db2.gz	LRUUDZIRTKJYIO-UHFFFAOYSA-N	1	0	358.486	1.823	20	30		FDEDRO
COC[C@]1(CNC(=O)N2CCCN(c3ccccc3C#N)CC2)CCC[NH2+]1	ZINC000574623563	550343775	/nfs/dbraw/zinc/34/37/75/550343775.db2.gz	NRMVAAAHCMMDRC-HXUWFJFHSA-N	1	0	371.485	1.549	20	30		FDEDRO
COC1([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CCOCC1	ZINC000574631145	550345184	/nfs/dbraw/zinc/34/51/84/550345184.db2.gz	CIJRUBVKQKMUGS-CQSZACIVSA-N	1	0	352.456	1.506	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)C(=O)N(C)CCC[NH3+]	ZINC000574663841	550350487	/nfs/dbraw/zinc/35/04/87/550350487.db2.gz	SLUYNJHVKLGKOZ-UHFFFAOYSA-N	1	0	370.247	1.760	20	30		FDEDRO
C=C(C)COc1cc(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)ccc1OC	ZINC000574696414	550356162	/nfs/dbraw/zinc/35/61/62/550356162.db2.gz	XUURXRWUWGYSOF-HNNXBMFYSA-N	1	0	354.472	1.774	20	30		FDEDRO
C[NH2+]CCCC(=O)N1CCC(NC(=O)NCc2ccc(C#N)cc2)CC1	ZINC000576174012	550519486	/nfs/dbraw/zinc/51/94/86/550519486.db2.gz	PVGWNNWSHINBEC-UHFFFAOYSA-N	1	0	357.458	1.348	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1	ZINC000576288090	550532254	/nfs/dbraw/zinc/53/22/54/550532254.db2.gz	ABEFOOIIPIISRV-OXQOHEQNSA-N	1	0	373.453	1.691	20	30		FDEDRO
C[NH+](C)CCOCCNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N	ZINC000576771982	550584407	/nfs/dbraw/zinc/58/44/07/550584407.db2.gz	KXVNIOXHPSAYPO-UHFFFAOYSA-N	1	0	366.487	1.550	20	30		FDEDRO
N#Cc1cnc2ccccc2c1NCC(=O)NCC[NH+]1CCCCCC1	ZINC000577042955	550613800	/nfs/dbraw/zinc/61/38/00/550613800.db2.gz	NIAGOIRRTHIFDM-UHFFFAOYSA-N	1	0	351.454	1.932	20	30		FDEDRO
CC(C)[C@H]1OCCC[C@H]1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000577098291	550620329	/nfs/dbraw/zinc/62/03/29/550620329.db2.gz	TTWAKYXFFRRZPI-DOTOQJQBSA-N	1	0	351.472	1.768	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)NC2CC[NH+](C3CCCCC3)CC2)n1	ZINC000577105382	550621107	/nfs/dbraw/zinc/62/11/07/550621107.db2.gz	HRROZJFJIQBOKG-UHFFFAOYSA-N	1	0	355.442	1.805	20	30		FDEDRO
C[NH+]1CCN(c2cc(C(=O)NCc3cc(F)c(C#N)c(F)c3)ccn2)CC1	ZINC000577649003	550679812	/nfs/dbraw/zinc/67/98/12/550679812.db2.gz	PTYCQYOKTQTEJO-UHFFFAOYSA-N	1	0	371.391	1.913	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1	ZINC000578727560	550794165	/nfs/dbraw/zinc/79/41/65/550794165.db2.gz	XBWFFLTYTGVVAJ-UHFFFAOYSA-N	1	0	351.414	1.422	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@]2(C1)CCC[NH2+]C2	ZINC000579108616	550836528	/nfs/dbraw/zinc/83/65/28/550836528.db2.gz	HIICXLHYJUVRRA-HNNXBMFYSA-N	1	0	350.400	1.231	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1	ZINC000579431730	550872575	/nfs/dbraw/zinc/87/25/75/550872575.db2.gz	NNOVPFKPTKUOIT-FAJBIJEISA-N	1	0	350.507	1.662	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000579465465	550876147	/nfs/dbraw/zinc/87/61/47/550876147.db2.gz	APNKEOGLSKIGCD-YJBOKZPZSA-N	1	0	350.507	1.435	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+][C@H]3CCCN(Cc4ccccn4)C3=O)n2c1	ZINC000579600505	550891337	/nfs/dbraw/zinc/89/13/37/550891337.db2.gz	JVBSLYDSMKJGSN-SFHVURJKSA-N	1	0	360.421	1.882	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)cc1	ZINC000579710089	550902210	/nfs/dbraw/zinc/90/22/10/550902210.db2.gz	AHLJNKDGMCMJKG-LMMKCTJWSA-N	1	0	360.454	1.455	20	30		FDEDRO
CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)Cc1ccc(CC#N)cc1	ZINC000579953323	550927824	/nfs/dbraw/zinc/92/78/24/550927824.db2.gz	SYYHTHPYWXJNCI-KRWDZBQOSA-N	1	0	353.488	1.529	20	30		FDEDRO
C[NH2+]C[C@@H]1CCCN1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000580052884	550937492	/nfs/dbraw/zinc/93/74/92/550937492.db2.gz	CASIPIYTZVWBSQ-IRXDYDNUSA-N	1	0	355.442	1.053	20	30		FDEDRO
C=CCn1c(-c2nnn(C)c2C)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C	ZINC000580158265	550948689	/nfs/dbraw/zinc/94/86/89/550948689.db2.gz	NVAWNGCXGYGXJM-ZFWWWQNUSA-N	1	0	358.494	1.735	20	30		FDEDRO
C[N@@H+]1CCC[C@H](CCNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000580164982	550949217	/nfs/dbraw/zinc/94/92/17/550949217.db2.gz	HDWWHZAOIJXVSH-MRXNPFEDSA-N	1	0	356.474	1.517	20	30		FDEDRO
CCC(CC)(C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C(=O)OC	ZINC000580358297	550970923	/nfs/dbraw/zinc/97/09/23/550970923.db2.gz	ZORJJRHHUBPXKT-UHFFFAOYSA-N	1	0	353.444	1.296	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000580436027	550982292	/nfs/dbraw/zinc/98/22/92/550982292.db2.gz	QMNGNUULJWFDKQ-BBRMVZONSA-N	1	0	354.428	1.939	20	30		FDEDRO
CC[C@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1cccc(C#N)n1)c1ccco1	ZINC000580444236	550983077	/nfs/dbraw/zinc/98/30/77/550983077.db2.gz	ZMMPZHRHJCVGGP-GXTWGEPZSA-N	1	0	355.398	1.730	20	30		FDEDRO
C=CCN=c1[nH]cc(C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)s1	ZINC000580563488	550995462	/nfs/dbraw/zinc/99/54/62/550995462.db2.gz	WMIJXLCYXAYOJP-DZGCQCFKSA-N	1	0	350.488	2.100	20	30		FDEDRO
CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](C)C#N)c1	ZINC000580591188	550998504	/nfs/dbraw/zinc/99/85/04/550998504.db2.gz	OJDJAWHOYKNOIV-CYBMUJFWSA-N	1	0	359.430	1.181	20	30		FDEDRO
N#Cc1ccc(Cl)cc1NC(=O)Cn1cnc2c(c1=O)CC[NH2+]CC2	ZINC000580950355	551036236	/nfs/dbraw/zinc/03/62/36/551036236.db2.gz	LKDCXQOGDVUEHS-UHFFFAOYSA-N	1	0	357.801	1.095	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000581022161	551044324	/nfs/dbraw/zinc/04/43/24/551044324.db2.gz	MOKVZDDYOTVUMZ-MRXNPFEDSA-N	1	0	351.491	1.466	20	30		FDEDRO
CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)cc1	ZINC000581301388	551073761	/nfs/dbraw/zinc/07/37/61/551073761.db2.gz	WWBWSYWJRMNLKY-UGSOOPFHSA-N	1	0	363.483	1.939	20	30		FDEDRO
CS(=O)(=O)CC1CCC([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000581305969	551074376	/nfs/dbraw/zinc/07/43/76/551074376.db2.gz	GVULPILGTFPCHP-OFLPRAFFSA-N	1	0	366.483	1.491	20	30		FDEDRO
N#CC1(CNC(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CC1	ZINC000581507459	551097270	/nfs/dbraw/zinc/09/72/70/551097270.db2.gz	FTYGPLIRMWODMD-LJQANCHMSA-N	1	0	367.497	1.892	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]CC1(N2CCOC(C)(C)C2)CCCCC1	ZINC000581543512	551102147	/nfs/dbraw/zinc/10/21/47/551102147.db2.gz	JSHSGPGCUDXPGK-GOSISDBHSA-N	1	0	366.550	1.596	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCc2ccc(C#N)s2)CC1=O	ZINC000582056262	551169290	/nfs/dbraw/zinc/16/92/90/551169290.db2.gz	GBPFHQNICCRCRN-KGLIPLIRSA-N	1	0	360.483	1.569	20	30		FDEDRO
COC(=O)c1ccc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(C#N)n1	ZINC000582072762	551172055	/nfs/dbraw/zinc/17/20/55/551172055.db2.gz	HUFJNKKKNQXXMD-WMLDXEAASA-N	1	0	357.458	1.202	20	30		FDEDRO
COC(=O)c1ccc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(C#N)n1	ZINC000582072763	551172270	/nfs/dbraw/zinc/17/22/70/551172270.db2.gz	HUFJNKKKNQXXMD-YOEHRIQHSA-N	1	0	357.458	1.202	20	30		FDEDRO
C=CCn1c([C@@H]2COCCO2)nnc1N1CC[NH+](Cc2ccccc2)CC1	ZINC000582158068	551183693	/nfs/dbraw/zinc/18/36/93/551183693.db2.gz	KAJZCOUQIINWKA-SFHVURJKSA-N	1	0	369.469	1.874	20	30		FDEDRO
N#Cc1cccc(OC2CCN(C(=O)C(=O)N3CCC[C@H](C[NH3+])C3)CC2)c1	ZINC000582354501	551211643	/nfs/dbraw/zinc/21/16/43/551211643.db2.gz	VAMJHBUKDOATLR-MRXNPFEDSA-N	1	0	370.453	1.125	20	30		FDEDRO
COc1cc(OC)cc(N2CC[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)C2)c1	ZINC000582482290	551230062	/nfs/dbraw/zinc/23/00/62/551230062.db2.gz	YZNTVEMZWAAWCQ-DOTOQJQBSA-N	1	0	362.474	1.078	20	30		FDEDRO
CN(C(=O)C[N@@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1)C1(C#N)CCCCC1	ZINC000582831934	551271442	/nfs/dbraw/zinc/27/14/42/551271442.db2.gz	RUSQSSAOQSQLEP-MSOLQXFVSA-N	1	0	368.481	1.872	20	30		FDEDRO
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@H](O)[C@@H]([NH+](C)C)C1	ZINC000582853877	551274258	/nfs/dbraw/zinc/27/42/58/551274258.db2.gz	NJDKICMTKQBHAO-KBMXLJTQSA-N	1	0	362.499	1.626	20	30		FDEDRO
C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1CC[NH+]([C@H](C)CC)CC1	ZINC000583125890	551307343	/nfs/dbraw/zinc/30/73/43/551307343.db2.gz	FDRVSVITIBFXRC-CQSZACIVSA-N	1	0	358.494	1.879	20	30		FDEDRO
C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNS(=O)(=O)c2cncc(C#N)c2)C1	ZINC000583172581	551313658	/nfs/dbraw/zinc/31/36/58/551313658.db2.gz	HBDPLSCSCYUSJM-KBPBESRZSA-N	1	0	350.488	1.988	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@H+](Cc1ccccc1)C[C@]1(O)CCO[C@@H]1C	ZINC000583361905	551339893	/nfs/dbraw/zinc/33/98/93/551339893.db2.gz	PCULIPJKADCBEL-YLJYHZDGSA-N	1	0	359.470	1.791	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@H]3CCCC[C@@H]3C[NH3+])C2=O)cc1	ZINC000583430495	551350146	/nfs/dbraw/zinc/35/01/46/551350146.db2.gz	BZFQJNPRXVDCEW-SQNIBIBYSA-N	1	0	369.469	1.476	20	30		FDEDRO
C[NH+](C)CCN(CC1CCCCC1)C(=O)C(=O)Nc1cccc(C#N)n1	ZINC000584052010	551439570	/nfs/dbraw/zinc/43/95/70/551439570.db2.gz	GNFKXOHRBHWIBF-UHFFFAOYSA-N	1	0	357.458	1.862	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-n3ccc(C)n3)cc2)CC1	ZINC000584306414	551478114	/nfs/dbraw/zinc/47/81/14/551478114.db2.gz	FZELFKXSQIAGAL-UHFFFAOYSA-N	1	0	367.453	1.886	20	30		FDEDRO
C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](O)Cc1ccccc1	ZINC000584470462	551502170	/nfs/dbraw/zinc/50/21/70/551502170.db2.gz	ZSIYLFIBDOJAFD-KXBFYZLASA-N	1	0	358.463	1.914	20	30		FDEDRO
CSC1(CNC(=O)C(=O)Nc2cc(C)c(C#N)cn2)CC[NH+](C)CC1	ZINC000584539227	551514419	/nfs/dbraw/zinc/51/44/19/551514419.db2.gz	MTMRRLVCPFLZSI-UHFFFAOYSA-N	1	0	361.471	1.144	20	30		FDEDRO
CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1	ZINC000584751016	551541494	/nfs/dbraw/zinc/54/14/94/551541494.db2.gz	SFAUOKWMLIUBBR-AWEZNQCLSA-N	1	0	350.394	1.109	20	30		FDEDRO
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC[C@@H]([NH+]2CCOCC2)CC1	ZINC000585718611	551587142	/nfs/dbraw/zinc/58/71/42/551587142.db2.gz	ONMQNUKIFFRXOB-RTBURBONSA-N	1	0	357.454	1.959	20	30		FDEDRO
N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@](O)(C(=O)N3CCCC3)C2)c1	ZINC000585803901	551608066	/nfs/dbraw/zinc/60/80/66/551608066.db2.gz	KZEAURWCDPXALI-HXUWFJFHSA-N	1	0	370.453	1.336	20	30		FDEDRO
CCN(CCC[NH+](CC)CC)C(=O)C(=O)NCc1ccc(C#N)cc1F	ZINC000586862231	551627301	/nfs/dbraw/zinc/62/73/01/551627301.db2.gz	ONMRLICDEWEKQS-UHFFFAOYSA-N	1	0	362.449	1.894	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c(F)c1	ZINC000586863900	551627632	/nfs/dbraw/zinc/62/76/32/551627632.db2.gz	DAASLSZWROZPQM-QGZVFWFLSA-N	1	0	372.444	1.790	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(C#N)c1	ZINC000587700360	551634102	/nfs/dbraw/zinc/63/41/02/551634102.db2.gz	CSVVGESTMVASEF-CVEARBPZSA-N	1	0	372.469	1.353	20	30		FDEDRO
C=CCOc1ccc(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1	ZINC000588007341	551639980	/nfs/dbraw/zinc/63/99/80/551639980.db2.gz	FVYBOEQLURJCSJ-SFHVURJKSA-N	1	0	359.470	1.924	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000588890080	551696678	/nfs/dbraw/zinc/69/66/78/551696678.db2.gz	UAZPVTYHMJHMSW-UHFFFAOYSA-N	1	0	358.467	1.847	20	30		FDEDRO
COC(=O)C[C@@](C)([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccncc1	ZINC000589164662	551714264	/nfs/dbraw/zinc/71/42/64/551714264.db2.gz	OJYKGTIVSTUJGO-YLJYHZDGSA-N	1	0	369.421	1.761	20	30		FDEDRO
COC(=O)C[C@](C)([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccncc1	ZINC000589164659	551714494	/nfs/dbraw/zinc/71/44/94/551714494.db2.gz	OJYKGTIVSTUJGO-PXNSSMCTSA-N	1	0	369.421	1.761	20	30		FDEDRO
N#Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)n1	ZINC000589483915	551732814	/nfs/dbraw/zinc/73/28/14/551732814.db2.gz	PRWHFGQHEMRBJC-FUHWJXTLSA-N	1	0	350.422	1.566	20	30		FDEDRO
C[C@@H](NC(=O)c1ccc(C#N)c(Cl)c1)C(=O)NCC[NH+]1CCCCC1	ZINC000591079884	551842131	/nfs/dbraw/zinc/84/21/31/551842131.db2.gz	NAJBRVUVYAVIRM-CYBMUJFWSA-N	1	0	362.861	1.932	20	30		FDEDRO
CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	ZINC000591299946	551858084	/nfs/dbraw/zinc/85/80/84/551858084.db2.gz	XDXCXOUHXXXPIO-UHFFFAOYSA-N	1	0	367.409	1.800	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1	ZINC000591304760	551859725	/nfs/dbraw/zinc/85/97/25/551859725.db2.gz	NRAGGCHEAQYIMQ-WCQYABFASA-N	1	0	364.352	1.309	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)NCCC[C@H]3CCC[NH2+]3)CC2)nc1	ZINC000591350607	551865096	/nfs/dbraw/zinc/86/50/96/551865096.db2.gz	WSXGMQCBNKAXSI-MRXNPFEDSA-N	1	0	356.474	1.753	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCCC[NH2+]C2CC2)CC1	ZINC000591358525	551865685	/nfs/dbraw/zinc/86/56/85/551865685.db2.gz	BNMNHDVUEKYCAW-UHFFFAOYSA-N	1	0	358.446	1.397	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)CC1	ZINC000591359585	551865923	/nfs/dbraw/zinc/86/59/23/551865923.db2.gz	ZVGYGNJGAULBOF-CQSZACIVSA-N	1	0	372.473	1.645	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)NCCC3=CC[NH2+]CC3)CC2)cc1	ZINC000591360740	551866088	/nfs/dbraw/zinc/86/60/88/551866088.db2.gz	JPXURNKNUYRRPD-UHFFFAOYSA-N	1	0	353.470	1.695	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1cccc(C#N)c1	ZINC000591404249	551868335	/nfs/dbraw/zinc/86/83/35/551868335.db2.gz	JHOVCPHKBULMCX-KDOFPFPSSA-N	1	0	354.454	1.726	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1	ZINC000591759694	551906537	/nfs/dbraw/zinc/90/65/37/551906537.db2.gz	UGDPGHPXEVAYPC-SJORKVTESA-N	1	0	372.448	1.195	20	30		FDEDRO
CO[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1	ZINC000591769500	551907485	/nfs/dbraw/zinc/90/74/85/551907485.db2.gz	DZNZBWLPLRXAAR-QGZVFWFLSA-N	1	0	359.451	1.574	20	30		FDEDRO
N#Cc1ncccc1S(=O)(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1	ZINC000591817240	551909727	/nfs/dbraw/zinc/90/97/27/551909727.db2.gz	MDZCWNJDFZJSBO-FUHWJXTLSA-N	1	0	368.462	1.848	20	30		FDEDRO
C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)cc1	ZINC000591874988	551912854	/nfs/dbraw/zinc/91/28/54/551912854.db2.gz	RJBHOKONULXZMV-GOEBONIOSA-N	1	0	358.442	1.764	20	30		FDEDRO
C[NH+]1CCN(C[C@H](NC(=O)N2CC[C@](O)(CC#N)C2)c2ccccc2)CC1	ZINC000591946986	551919297	/nfs/dbraw/zinc/91/92/97/551919297.db2.gz	FTIUQYYCSGHGQG-AZUAARDMSA-N	1	0	371.485	1.035	20	30		FDEDRO
C[NH+](C)CCCOc1ccc(CNC(=O)N2CC[C@](O)(CC#N)C2)cc1	ZINC000591954804	551920074	/nfs/dbraw/zinc/92/00/74/551920074.db2.gz	ULRGCDZHLCEUDV-LJQANCHMSA-N	1	0	360.458	1.577	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Cn2nc(-c3ccccc3)oc2=O)CC1	ZINC000592076572	551936728	/nfs/dbraw/zinc/93/67/28/551936728.db2.gz	IARPNYILFQLQJQ-UHFFFAOYSA-N	1	0	356.426	1.660	20	30		FDEDRO
C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@](O)(CC#N)C1	ZINC000592148920	551949665	/nfs/dbraw/zinc/94/96/65/551949665.db2.gz	FFGQCGJWVDDDEL-UTKZUKDTSA-N	1	0	370.497	1.506	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@H](C(=O)NCc2ccccc2)C1	ZINC000592156631	551951746	/nfs/dbraw/zinc/95/17/46/551951746.db2.gz	ZVTMBFQYSYKQSF-WBVHZDCISA-N	1	0	354.454	1.576	20	30		FDEDRO
CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000592185165	551955298	/nfs/dbraw/zinc/95/52/98/551955298.db2.gz	VCWVWSXCPGAZLJ-CZUORRHYSA-N	1	0	371.359	1.298	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)Nc1cccc(C#N)n1	ZINC000592287946	551972798	/nfs/dbraw/zinc/97/27/98/551972798.db2.gz	XIGROUGVLMNUPR-UHFFFAOYSA-N	1	0	369.400	1.621	20	30		FDEDRO
C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CCO1	ZINC000592374296	551985584	/nfs/dbraw/zinc/98/55/84/551985584.db2.gz	KVHDDJKHOVOUCM-NOZJJQNGSA-N	1	0	363.361	1.314	20	30		FDEDRO
N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1	ZINC000592392548	551988580	/nfs/dbraw/zinc/98/85/80/551988580.db2.gz	KIQGGKKHMGZLEU-ZBFHGGJFSA-N	1	0	369.874	1.729	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCCc3c2cnn3CCO)cc1	ZINC000592429919	551994486	/nfs/dbraw/zinc/99/44/86/551994486.db2.gz	UPDMYPUGBIPDPM-YJBOKZPZSA-N	1	0	356.426	1.154	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H](CO)c1cccc(Br)c1	ZINC000592431548	551994569	/nfs/dbraw/zinc/99/45/69/551994569.db2.gz	DLIPRANMFGCLTO-HUUCEWRRSA-N	1	0	356.264	1.278	20	30		FDEDRO
N#Cc1cnn2cc(C[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)cnc12	ZINC000592500107	552002828	/nfs/dbraw/zinc/00/28/28/552002828.db2.gz	RXZVZDPIVRNPLK-UHFFFAOYSA-N	1	0	360.421	1.620	20	30		FDEDRO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000592524231	552004608	/nfs/dbraw/zinc/00/46/08/552004608.db2.gz	UNFFOMWPIWUIKO-OAHLLOKOSA-N	1	0	366.469	1.511	20	30		FDEDRO
C[NH+](C)CCCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1	ZINC000592746309	552023118	/nfs/dbraw/zinc/02/31/18/552023118.db2.gz	SODBYDIEFRKYLA-UHFFFAOYSA-N	1	0	365.275	1.825	20	30		FDEDRO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cnc(C(F)(F)F)c(C#N)c1	ZINC000592871543	552037328	/nfs/dbraw/zinc/03/73/28/552037328.db2.gz	JLGIUISEYVJTPN-SNVBAGLBSA-N	1	0	369.347	1.164	20	30		FDEDRO
CCN1CCN(C(=O)c2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc2)CC1	ZINC000592957578	552048707	/nfs/dbraw/zinc/04/87/07/552048707.db2.gz	PEBSHQCBDFPSGR-KRWDZBQOSA-N	1	0	357.458	1.424	20	30		FDEDRO
N#Cc1ccc(CN2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c([N+](=O)[O-])c1	ZINC000593017065	552053311	/nfs/dbraw/zinc/05/33/11/552053311.db2.gz	GNHVATDEAXAHIG-INIZCTEOSA-N	1	0	357.414	1.381	20	30		FDEDRO
C=CCOCC[NH+]1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1	ZINC000593044459	552055450	/nfs/dbraw/zinc/05/54/50/552055450.db2.gz	MHSBXJCLTYYKQZ-OAHLLOKOSA-N	1	0	352.475	1.844	20	30		FDEDRO
Cn1cc(CN2CCN(CC[NH+](C)C)C(=O)C2)c(-c2ccc(C#N)cc2)n1	ZINC000593049852	552056122	/nfs/dbraw/zinc/05/61/22/552056122.db2.gz	FIMDACCLJNCFGQ-UHFFFAOYSA-N	1	0	366.469	1.165	20	30		FDEDRO
CC[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)cc2C(=O)OC)CC1	ZINC000593196618	552071679	/nfs/dbraw/zinc/07/16/79/552071679.db2.gz	BLRBLCORDQRCNN-UHFFFAOYSA-N	1	0	351.428	1.107	20	30		FDEDRO
CC(=O)N1CC[C@@](C)(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000593355690	552094987	/nfs/dbraw/zinc/09/49/87/552094987.db2.gz	YHNHDRLRFIWVSM-OAQYLSRUSA-N	1	0	368.481	1.897	20	30		FDEDRO
COC[C@H](CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)OC	ZINC000593388992	552100622	/nfs/dbraw/zinc/10/06/22/552100622.db2.gz	PHBFZLNODXNJCF-SFHVURJKSA-N	1	0	360.458	1.483	20	30		FDEDRO
CCN(C)C(=O)CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593395336	552101858	/nfs/dbraw/zinc/10/18/58/552101858.db2.gz	UHIZNBKWJJKREN-UHFFFAOYSA-N	1	0	357.458	1.300	20	30		FDEDRO
COC[C@](C)(O)CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593512509	552119863	/nfs/dbraw/zinc/11/98/63/552119863.db2.gz	WJMPAPWKJCWNBG-LJQANCHMSA-N	1	0	360.458	1.219	20	30		FDEDRO
COC[C@@H](O)CCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593513565	552119972	/nfs/dbraw/zinc/11/99/72/552119972.db2.gz	KQGRGUJLKLSWDG-SFHVURJKSA-N	1	0	360.458	1.219	20	30		FDEDRO
C[C@H](CO)N(C[C@H](C)O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593513277	552120026	/nfs/dbraw/zinc/12/00/26/552120026.db2.gz	HSIFUEVDVGKCBP-CVEARBPZSA-N	1	0	374.485	1.296	20	30		FDEDRO
CN(CC1(CO)CC1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593512967	552120326	/nfs/dbraw/zinc/12/03/26/552120326.db2.gz	ASDODNCBMPFYCC-UHFFFAOYSA-N	1	0	356.470	1.937	20	30		FDEDRO
C[C@H]1CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@@H]1CO	ZINC000593514642	552120391	/nfs/dbraw/zinc/12/03/91/552120391.db2.gz	XSBSHIXKHNGBBS-HNAYVOBHSA-N	1	0	356.470	1.935	20	30		FDEDRO
C[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@@H]1CO	ZINC000593514641	552120530	/nfs/dbraw/zinc/12/05/30/552120530.db2.gz	XSBSHIXKHNGBBS-DNVCBOLYSA-N	1	0	356.470	1.935	20	30		FDEDRO
C[C@@]1(C(N)=O)CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000593514214	552120663	/nfs/dbraw/zinc/12/06/63/552120663.db2.gz	TYYUHGKEPRYAAN-HXUWFJFHSA-N	1	0	369.469	1.430	20	30		FDEDRO
CC(C)(C#N)c1ccc(S(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1	ZINC000593549872	552130263	/nfs/dbraw/zinc/13/02/63/552130263.db2.gz	LVGSKAVCLJSSPI-INIZCTEOSA-N	1	0	365.499	1.613	20	30		FDEDRO
CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(C#N)cc1C(=O)OC	ZINC000593561001	552134440	/nfs/dbraw/zinc/13/44/40/552134440.db2.gz	XFMZPDWLDZDFFX-AWEZNQCLSA-N	1	0	365.455	1.498	20	30		FDEDRO
N#Cc1sccc1S(=O)(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1	ZINC000593564438	552135652	/nfs/dbraw/zinc/13/56/52/552135652.db2.gz	RFJFNBHMULKVFV-UONOGXRCSA-N	1	0	369.512	1.666	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)c2ccsc2C#N)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000593567934	552137386	/nfs/dbraw/zinc/13/73/86/552137386.db2.gz	FOGJOKLVBMUAKI-UONOGXRCSA-N	1	0	368.528	1.266	20	30		FDEDRO
C[NH+]1CCN(CCNS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)CC1	ZINC000593579737	552142308	/nfs/dbraw/zinc/14/23/08/552142308.db2.gz	GGTWZLSJVGLJCV-UHFFFAOYSA-N	1	0	350.488	1.013	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H](C)CN1CCO	ZINC000593609228	552151142	/nfs/dbraw/zinc/15/11/42/552151142.db2.gz	SGRIUUISYORHPB-CABCVRRESA-N	1	0	365.499	1.563	20	30		FDEDRO
COc1ccc(CN2CCN(CC[NH+](C)C)C(=O)C2)cc1OCCCC#N	ZINC000593655658	552165188	/nfs/dbraw/zinc/16/51/88/552165188.db2.gz	VWRKQEMRBPBBFT-UHFFFAOYSA-N	1	0	374.485	1.584	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NCCC3CC[NH2+]CC3)CC2)c(F)c1	ZINC000593718296	552182090	/nfs/dbraw/zinc/18/20/90/552182090.db2.gz	DURPWAGAUZVVKI-UHFFFAOYSA-N	1	0	359.449	1.919	20	30		FDEDRO
Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)ccc1C#N	ZINC000593731822	552185987	/nfs/dbraw/zinc/18/59/87/552185987.db2.gz	FHNQOIGPCHJCJZ-KBAYOESNSA-N	1	0	363.483	1.916	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCC2(C[NH3+])CC2)cc1	ZINC000593763936	552193531	/nfs/dbraw/zinc/19/35/31/552193531.db2.gz	SZZXLSSEMXPNAA-GFCCVEGCSA-N	1	0	350.444	1.623	20	30		FDEDRO
Cc1cc2c(cc1C#N)[nH]nc2NC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C	ZINC000593900121	552220987	/nfs/dbraw/zinc/22/09/87/552220987.db2.gz	IKXWCZDELWJNJP-KRWDZBQOSA-N	1	0	355.442	2.475	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC(=O)N(C4CC4)C3)CC2)c1	ZINC000593925445	552226670	/nfs/dbraw/zinc/22/66/70/552226670.db2.gz	BAKZJJALUAKIOY-UHFFFAOYSA-N	1	0	367.453	1.496	20	30		FDEDRO
N#Cc1c(NC(=O)CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)sc2c1CCCCC2	ZINC000594026469	552240936	/nfs/dbraw/zinc/24/09/36/552240936.db2.gz	DBHLFUFDAYFJCE-UONOGXRCSA-N	1	0	374.510	1.578	20	30		FDEDRO
C[C@@H](CNC(=O)c1ccn(-c2cccc(C#N)c2)n1)N1C[C@@H](C)O[C@@H](C)C1	ZINC000594097704	552248154	/nfs/dbraw/zinc/24/81/54/552248154.db2.gz	AUFGNRUXBQQYHD-HRCADAONSA-N	1	0	367.453	1.971	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H](C)Cc2ccc(C#N)cc2)CC1	ZINC000594283802	552277206	/nfs/dbraw/zinc/27/72/06/552277206.db2.gz	UKNACMJQFYSPLL-QGZVFWFLSA-N	1	0	370.497	1.749	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1	ZINC000594283537	552277451	/nfs/dbraw/zinc/27/74/51/552277451.db2.gz	RZKXFHQMWFHTAD-QZTJIDSGSA-N	1	0	368.485	1.802	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1	ZINC000594311394	552284851	/nfs/dbraw/zinc/28/48/51/552284851.db2.gz	FQWOATCWBFAJKE-MCIONIFRSA-N	1	0	358.442	1.419	20	30		FDEDRO
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1	ZINC000594319545	552286813	/nfs/dbraw/zinc/28/68/13/552286813.db2.gz	ZIQCWCSJXKLINH-TXEJJXNPSA-N	1	0	366.368	1.555	20	30		FDEDRO
COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)[C@@H]([NH3+])CCCCC#N	ZINC000594431036	552308920	/nfs/dbraw/zinc/30/89/20/552308920.db2.gz	GLVQDFHIFSHYKO-HNNXBMFYSA-N	1	0	374.441	1.517	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H](Cc1ccccc1Cl)C(N)=O	ZINC000594433941	552309086	/nfs/dbraw/zinc/30/90/86/552309086.db2.gz	IYNMFVPPTHAWPD-HIFRSBDPSA-N	1	0	350.850	1.511	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1	ZINC000594434959	552309188	/nfs/dbraw/zinc/30/91/88/552309188.db2.gz	XJWRBHZQKMDAIK-CQSZACIVSA-N	1	0	368.434	1.715	20	30		FDEDRO
COc1cc(CN2CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC2)cc(OC)c1	ZINC000594438833	552310230	/nfs/dbraw/zinc/31/02/30/552310230.db2.gz	MIIJRGZMSHOIMH-LJQANCHMSA-N	1	0	374.485	1.759	20	30		FDEDRO
CCc1nsc(N2CCCN(C(=O)[C@H]([NH3+])CCCCC#N)CC2)n1	ZINC000594438863	552310515	/nfs/dbraw/zinc/31/05/15/552310515.db2.gz	MQTJMMICJJQBQA-CYBMUJFWSA-N	1	0	350.492	1.550	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1	ZINC000594444975	552311607	/nfs/dbraw/zinc/31/16/07/552311607.db2.gz	HGCOBWZZTNHFKW-INIZCTEOSA-N	1	0	362.405	1.648	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1	ZINC000594442682	552311667	/nfs/dbraw/zinc/31/16/67/552311667.db2.gz	HSWFEHDVHLRRFY-BXUZGUMPSA-N	1	0	350.369	1.598	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000594482751	552323016	/nfs/dbraw/zinc/32/30/16/552323016.db2.gz	FEIKMKNIUPSBLQ-UKRRQHHQSA-N	1	0	364.427	1.762	20	30		FDEDRO
C[C@H](C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)N1C[C@@H](C)O[C@@H](C)C1	ZINC000594577633	552336556	/nfs/dbraw/zinc/33/65/56/552336556.db2.gz	WHQYFUYXVHIHJA-OAGGEKHMSA-N	1	0	365.499	1.419	20	30		FDEDRO
Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC[C@]1(O)CC[N@@H+](C)C1	ZINC000594768042	552377109	/nfs/dbraw/zinc/37/71/09/552377109.db2.gz	HKPXCSSPLPDPIM-MRXNPFEDSA-N	1	0	365.480	1.426	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCC2CC[NH+](C3CCOCC3)CC2)o1	ZINC000594802374	552390587	/nfs/dbraw/zinc/39/05/87/552390587.db2.gz	OMNODCVERFEKMJ-UHFFFAOYSA-N	1	0	353.444	1.321	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)o1	ZINC000594816464	552396132	/nfs/dbraw/zinc/39/61/32/552396132.db2.gz	HZAORTPEFPXMPL-OAHLLOKOSA-N	1	0	361.423	1.196	20	30		FDEDRO
C[C@H]1CC[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CS1(=O)=O	ZINC000594973964	552429351	/nfs/dbraw/zinc/42/93/51/552429351.db2.gz	IFXFAGPJSDDZJJ-YOEHRIQHSA-N	1	0	373.482	1.914	20	30		FDEDRO
COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCC[C@@H](CC#N)C1	ZINC000595086300	552447906	/nfs/dbraw/zinc/44/79/06/552447906.db2.gz	MDCWGWKFLVZKRP-AWEZNQCLSA-N	1	0	358.442	1.848	20	30		FDEDRO
C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCC[C@H](CC#N)C2)cc1	ZINC000595086756	552447957	/nfs/dbraw/zinc/44/79/57/552447957.db2.gz	PUKVQONLWZXUAO-OAHLLOKOSA-N	1	0	358.442	1.718	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1	ZINC000595150571	552468437	/nfs/dbraw/zinc/46/84/37/552468437.db2.gz	KZULCVPECPVNNQ-UHFFFAOYSA-N	1	0	353.532	1.889	20	30		FDEDRO
CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N1CC[C@@](C)(C#N)C1	ZINC000595153771	552469564	/nfs/dbraw/zinc/46/95/64/552469564.db2.gz	OZSRVSJXNHBKFC-FQEVSTJZSA-N	1	0	356.470	1.859	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1	ZINC000595228447	552498062	/nfs/dbraw/zinc/49/80/62/552498062.db2.gz	RRXMRLCXFHCAGX-UONOGXRCSA-N	1	0	357.414	1.121	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)ncc1C#N	ZINC000595230165	552498877	/nfs/dbraw/zinc/49/88/77/552498877.db2.gz	UOVJHODYOCAWDI-UHFFFAOYSA-N	1	0	355.442	1.438	20	30		FDEDRO
N#Cc1cccc(-c2csc(NC(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)n2)c1	ZINC000595242133	552503170	/nfs/dbraw/zinc/50/31/70/552503170.db2.gz	RTZPPQZXXNCPDS-CHWSQXEVSA-N	1	0	373.413	1.518	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CC4CC3(C[NH3+])C4)C2=O)cc1	ZINC000595264179	552507774	/nfs/dbraw/zinc/50/77/74/552507774.db2.gz	KSJYHINMXNBFIG-NLGTXKQRSA-N	1	0	353.426	1.186	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)NCC34CC(C3)C[NH2+]4)C2=O)cc1	ZINC000595264830	552507949	/nfs/dbraw/zinc/50/79/49/552507949.db2.gz	RICISKNODNKKTM-NLGTXKQRSA-N	1	0	353.426	1.105	20	30		FDEDRO
COC[C@]1(CNC(=O)N2CCN(c3ccsc3C#N)CC2)CCC[NH2+]1	ZINC000595272251	552509531	/nfs/dbraw/zinc/50/95/31/552509531.db2.gz	AHOTZIWJUKTUPM-QGZVFWFLSA-N	1	0	363.487	1.220	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)c1ccc(C#N)cc1	ZINC000595279731	552511353	/nfs/dbraw/zinc/51/13/53/552511353.db2.gz	RIQSJROTODJKQF-BEFAXECRSA-N	1	0	368.481	1.974	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)N3CCC[C@@H](CC#N)C3)ccn2)CC1	ZINC000595445273	552561352	/nfs/dbraw/zinc/56/13/52/552561352.db2.gz	WNJRRDQGVCUBCJ-INIZCTEOSA-N	1	0	356.474	1.669	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)c1	ZINC000595595069	552590103	/nfs/dbraw/zinc/59/01/03/552590103.db2.gz	BVORRQINFYXCSE-IBGZPJMESA-N	1	0	357.454	1.332	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@H](CO)C2CCC2)CC1	ZINC000595616998	552593585	/nfs/dbraw/zinc/59/35/85/552593585.db2.gz	PXVIAMPGFZCZGN-HZPDHXFCSA-N	1	0	362.499	1.208	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CC[N@@H+](C(C)(C)C)C3)CC2)c1C#N	ZINC000595698036	552604193	/nfs/dbraw/zinc/60/41/93/552604193.db2.gz	MNPSIUPCXXCCEG-OAHLLOKOSA-N	1	0	373.505	1.305	20	30		FDEDRO
CC(C)OC[C@H](O)C[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595725250	552607056	/nfs/dbraw/zinc/60/70/56/552607056.db2.gz	CKLIYZDCXIKNFP-GOSISDBHSA-N	1	0	369.469	1.856	20	30		FDEDRO
C[C@H]1CN(C(=O)C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)C[C@H](C)O1	ZINC000595772138	552613499	/nfs/dbraw/zinc/61/34/99/552613499.db2.gz	FCPGBSGYFDZRCJ-HOTGVXAUSA-N	1	0	357.454	1.789	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1	ZINC000595771720	552613554	/nfs/dbraw/zinc/61/35/54/552613554.db2.gz	CKNPFCGWRRUAQC-UHFFFAOYSA-N	1	0	365.437	1.810	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H]1C[C@H](O)C12CCC2	ZINC000595776339	552614038	/nfs/dbraw/zinc/61/40/38/552614038.db2.gz	AMHZDKQNPGNSFQ-SJORKVTESA-N	1	0	374.485	1.845	20	30		FDEDRO
N#CC1(CC(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCCCC1	ZINC000595909058	552632036	/nfs/dbraw/zinc/63/20/36/552632036.db2.gz	LQGDXCJXUXJOFH-DLBZAZTESA-N	1	0	360.502	1.957	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1	ZINC000595960204	552638884	/nfs/dbraw/zinc/63/88/84/552638884.db2.gz	KUQJNCIZQTWYCU-OTWHNJEPSA-N	1	0	356.470	1.509	20	30		FDEDRO
C[C@@H]([NH3+])CCC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595969592	552639835	/nfs/dbraw/zinc/63/98/35/552639835.db2.gz	FXIXLAPOKCTMCD-CQSZACIVSA-N	1	0	352.442	1.724	20	30		FDEDRO
CC[C@@H]([NH2+]C)C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595969234	552640047	/nfs/dbraw/zinc/64/00/47/552640047.db2.gz	CUXVDUNUJSDJAH-MRXNPFEDSA-N	1	0	352.442	1.595	20	30		FDEDRO
C[C@]1(NC(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)CC[NH2+]C1	ZINC000596128792	552658320	/nfs/dbraw/zinc/65/83/20/552658320.db2.gz	NJWKMGLZUDHBDH-IBGZPJMESA-N	1	0	365.393	1.552	20	30		FDEDRO
Cn1ncc(C#N)c1N1CCN(c2ccccc2OCC[NH+](C)C)CC1	ZINC000596133634	552658768	/nfs/dbraw/zinc/65/87/68/552658768.db2.gz	JKBYNAXINCFFTG-UHFFFAOYSA-N	1	0	354.458	1.559	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(Nc3ccc(N)c([N+](=O)[O-])n3)CC2)c1	ZINC000596296749	552671859	/nfs/dbraw/zinc/67/18/59/552671859.db2.gz	ZTUDQBIMNDRHAK-UHFFFAOYSA-N	1	0	352.398	2.520	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1nnn(C(C)(C)C)n1	ZINC000596827673	552715234	/nfs/dbraw/zinc/71/52/34/552715234.db2.gz	GAXRHZKOCJMMNK-UHFFFAOYSA-N	1	0	355.446	1.504	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)CC2(C#N)CCOCC2)c1	ZINC000597111576	552748721	/nfs/dbraw/zinc/74/87/21/552748721.db2.gz	RGZGZKSCQYQWDX-UHFFFAOYSA-N	1	0	372.469	1.305	20	30		FDEDRO
COC(=O)Cc1c2ccccc2[nH]c1C(=O)NC1(C#N)CC[NH+](C)CC1	ZINC000597167407	552756542	/nfs/dbraw/zinc/75/65/42/552756542.db2.gz	VRBNXDVNEFFYFX-UHFFFAOYSA-N	1	0	354.410	1.601	20	30		FDEDRO
CC(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@@](F)(C#N)C1	ZINC000597332924	552776207	/nfs/dbraw/zinc/77/62/07/552776207.db2.gz	UVDOMHSVUCIUFT-RVKKMQEKSA-N	1	0	362.453	1.912	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)CC1	ZINC000597399530	552784226	/nfs/dbraw/zinc/78/42/26/552784226.db2.gz	PPJHFJQKLCZDDG-MRXNPFEDSA-N	1	0	362.380	1.215	20	30		FDEDRO
C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC(=O)N(c3ccc(C#N)c(Cl)c3)C1)C2	ZINC000597569251	552805901	/nfs/dbraw/zinc/80/59/01/552805901.db2.gz	STYOCFAYJNFUQP-AWEZNQCLSA-N	1	0	372.856	1.729	20	30		FDEDRO
C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1	ZINC000597573645	552806635	/nfs/dbraw/zinc/80/66/35/552806635.db2.gz	HMCSIFDZDJEQHS-UZLBHIALSA-N	1	0	374.460	1.439	20	30		FDEDRO
CC(C)C[C@H](NC(=O)c1ccc(C#N)n1C)C(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000597692921	552822732	/nfs/dbraw/zinc/82/27/32/552822732.db2.gz	QWNIGVTYPIDYLV-HOTGVXAUSA-N	1	0	359.474	1.204	20	30		FDEDRO
C[NH+](C)C1CCC2(CC1)CCN(C(=O)CNc1ccc(C#N)cn1)CC2	ZINC000597704352	552824151	/nfs/dbraw/zinc/82/41/51/552824151.db2.gz	ULPNZEQOJDMDDC-UHFFFAOYSA-N	1	0	355.486	2.478	20	30		FDEDRO
CO[C@@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@H]1CCOC1	ZINC000597823102	552836845	/nfs/dbraw/zinc/83/68/45/552836845.db2.gz	XLINRFMTXWRMRK-PKOBYXMFSA-N	1	0	357.454	1.690	20	30		FDEDRO
C[C@H](CCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[NH+](C)C	ZINC000597992006	552853388	/nfs/dbraw/zinc/85/33/88/552853388.db2.gz	IIEBRSYGTTYMOQ-CJNGLKHVSA-N	1	0	371.441	1.220	20	30		FDEDRO
C[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1)n1cnc(C#N)n1	ZINC000598195954	552875161	/nfs/dbraw/zinc/87/51/61/552875161.db2.gz	XSCJEWSRUYFBOJ-RDJZCZTQSA-N	1	0	352.442	1.486	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[NH+]1CCN(C[C@@H](O)COc2ccccc2)CC1	ZINC000598588248	552911894	/nfs/dbraw/zinc/91/18/94/552911894.db2.gz	JKZLFLUMDMMEKH-ZWKOTPCHSA-N	1	0	361.486	1.345	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000598723022	552928312	/nfs/dbraw/zinc/92/83/12/552928312.db2.gz	CRNIJRULHVEHHH-CYBMUJFWSA-N	1	0	355.416	1.259	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1	ZINC000598727236	552928614	/nfs/dbraw/zinc/92/86/14/552928614.db2.gz	VTKJUZGBZROGOG-QMTHXVAHSA-N	1	0	370.272	1.823	20	30		FDEDRO
N#Cc1ccc(NC(=O)N2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1	ZINC000598913961	552944035	/nfs/dbraw/zinc/94/40/35/552944035.db2.gz	SERCODPKNQHSMV-IAGOWNOFSA-N	1	0	368.441	1.310	20	30		FDEDRO
CN1CCOC[C@@H]1CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000599090748	552966452	/nfs/dbraw/zinc/96/64/52/552966452.db2.gz	CKTWUMVKXNLCQR-IBGZPJMESA-N	1	0	371.485	1.152	20	30		FDEDRO
COC(=O)c1cc(C[N@H+](C)C[C@@H](O)CC2(C#N)CCOCC2)oc1C	ZINC000599251868	553003369	/nfs/dbraw/zinc/00/33/69/553003369.db2.gz	ZWTZWLUTQNVCKN-AWEZNQCLSA-N	1	0	350.415	1.878	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH+]2CCN(c3ccc(Cl)cn3)CC2)CCOCC1	ZINC000599271697	553010717	/nfs/dbraw/zinc/01/07/17/553010717.db2.gz	BJZQTXIFOBYJQC-MRXNPFEDSA-N	1	0	364.877	1.928	20	30		FDEDRO
C[N@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@@H]1CCN(c2ccccc2)C1=O	ZINC000599325129	553027694	/nfs/dbraw/zinc/02/76/94/553027694.db2.gz	ACCRMNDHVGVTKK-QZTJIDSGSA-N	1	0	357.454	1.795	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)CCOCC1	ZINC000599386561	553042057	/nfs/dbraw/zinc/04/20/57/553042057.db2.gz	OTHIIRUWGOWWMJ-BZSNNMDCSA-N	1	0	351.491	1.291	20	30		FDEDRO
Cn1cc([C@H]2CSCCN2C[C@H](O)CC2(C#N)CCOCC2)cn1	ZINC000599391188	553043308	/nfs/dbraw/zinc/04/33/08/553043308.db2.gz	OCBLOMBZFMCOIE-HZPDHXFCSA-N	1	0	350.488	1.581	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@]1(CO)CCOc2ccccc21	ZINC000599398083	553045774	/nfs/dbraw/zinc/04/57/74/553045774.db2.gz	SPOFGBKFLMNCPY-JXFKEZNVSA-N	1	0	354.406	1.558	20	30		FDEDRO
CN1CC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C[C@@H]1Cc1ccccc1	ZINC000599403182	553047464	/nfs/dbraw/zinc/04/74/64/553047464.db2.gz	BYZUSUUZSHEQMK-PMACEKPBSA-N	1	0	357.498	1.916	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)CCOCC1	ZINC000599414840	553051676	/nfs/dbraw/zinc/05/16/76/553051676.db2.gz	JRDCMERWWOJMML-ZFWWWQNUSA-N	1	0	350.381	1.837	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)CCOCC1	ZINC000599427842	553054567	/nfs/dbraw/zinc/05/45/67/553054567.db2.gz	YCANIPQUFMSBIF-MOPGFXCFSA-N	1	0	371.481	1.491	20	30		FDEDRO
C[C@H]1CN(CC(F)(F)F)CC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000599434438	553056003	/nfs/dbraw/zinc/05/60/03/553056003.db2.gz	AEFQPINTRXGGJJ-HUUCEWRRSA-N	1	0	363.424	1.874	20	30		FDEDRO
COC(=O)c1cccc2c1CC[N@H+](C[C@H](O)CC1(C#N)CCOCC1)C2	ZINC000599437649	553056747	/nfs/dbraw/zinc/05/67/47/553056747.db2.gz	RAHRKTFEHXUPBB-MRXNPFEDSA-N	1	0	358.438	1.903	20	30		FDEDRO
COC(=O)[C@@H]1C[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C[C@H]1c1ccccc1	ZINC000599451258	553060471	/nfs/dbraw/zinc/06/04/71/553060471.db2.gz	UXUQPXHHDAAMOT-CEXWTWQISA-N	1	0	372.465	1.946	20	30		FDEDRO
COC(=O)[C@@]1(OC)CC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000599565899	553088971	/nfs/dbraw/zinc/08/89/71/553088971.db2.gz	XQGGDJWMUXYJND-LJQANCHMSA-N	1	0	354.410	1.723	20	30		FDEDRO
Cc1noc([C@@H]2OCC[C@@H]2[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1	ZINC000599682118	553120760	/nfs/dbraw/zinc/12/07/60/553120760.db2.gz	CLVXYSOYVQKTBA-GVDBMIGSSA-N	1	0	367.409	1.865	20	30		FDEDRO
CNS(=O)(=O)C[C@H]1CCC[N@H+](CCOc2ccc(C#N)cc2OC)C1	ZINC000599692691	553123043	/nfs/dbraw/zinc/12/30/43/553123043.db2.gz	LPSHVZLEBLACNG-HNNXBMFYSA-N	1	0	367.471	1.207	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC(=O)N1	ZINC000599751813	553137895	/nfs/dbraw/zinc/13/78/95/553137895.db2.gz	PCZYUZYATGMMAE-RDJZCZTQSA-N	1	0	354.454	1.576	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(OC)c(C#N)cc1F	ZINC000599816884	553154591	/nfs/dbraw/zinc/15/45/91/553154591.db2.gz	JYXNDGPETXCTMK-ZDUSSCGKSA-N	1	0	350.394	1.938	20	30		FDEDRO
COc1cc(NC(=O)NCC[NH+]2CCC(OC)CC2)c(F)cc1C#N	ZINC000599817439	553154762	/nfs/dbraw/zinc/15/47/62/553154762.db2.gz	UQWJSYRIQZZCIR-UHFFFAOYSA-N	1	0	350.394	1.938	20	30		FDEDRO
COc1cc(NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c(F)cc1C#N	ZINC000599819083	553154906	/nfs/dbraw/zinc/15/49/06/553154906.db2.gz	JTVIIGXLQISCJB-CYBMUJFWSA-N	1	0	363.437	1.711	20	30		FDEDRO
CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000599887931	553167982	/nfs/dbraw/zinc/16/79/82/553167982.db2.gz	GDOHLQWWDUGDFI-AWEZNQCLSA-N	1	0	368.359	1.972	20	30		FDEDRO
C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)C[NH2+]1	ZINC000599896223	553170424	/nfs/dbraw/zinc/17/04/24/553170424.db2.gz	NPRIMTPLWUQEFC-SMDDNHRTSA-N	1	0	369.450	1.877	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)c(F)cc1C#N	ZINC000599940040	553179579	/nfs/dbraw/zinc/17/95/79/553179579.db2.gz	IIZKDMNUNFMLMA-GFCCVEGCSA-N	1	0	362.405	1.493	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)c(F)cc1C#N	ZINC000599945427	553181288	/nfs/dbraw/zinc/18/12/88/553181288.db2.gz	HXGDREDHVVQFRE-UHFFFAOYSA-N	1	0	362.405	1.587	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c(F)cc1C#N	ZINC000599976479	553190639	/nfs/dbraw/zinc/19/06/39/553190639.db2.gz	DZHTTZJOXAAAED-LRDDRELGSA-N	1	0	374.416	1.730	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(F)cc1C#N	ZINC000599993517	553195836	/nfs/dbraw/zinc/19/58/36/553195836.db2.gz	VHNVHXNTYIQXBJ-ZBFHGGJFSA-N	1	0	374.416	1.778	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)n(CCC#N)n1	ZINC000600011316	553199970	/nfs/dbraw/zinc/19/99/70/553199970.db2.gz	HQNZVMVJKNTAGZ-MRXNPFEDSA-N	1	0	372.473	1.567	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]CC2(N3CCCC3)CCOCC2)CCOCC1	ZINC000600719556	553306797	/nfs/dbraw/zinc/30/67/97/553306797.db2.gz	CGEXVOVYDRKAOK-KRWDZBQOSA-N	1	0	351.491	1.292	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)CC1	ZINC000600726556	553308163	/nfs/dbraw/zinc/30/81/63/553308163.db2.gz	HLSDMZAROLVFCJ-SNVBAGLBSA-N	1	0	363.892	1.324	20	30		FDEDRO
COc1cc(CN2CC[C@@H]([NH2+]C[C@H](O)CC3(C#N)CC3)C2)cc(OC)c1	ZINC000600729479	553308361	/nfs/dbraw/zinc/30/83/61/553308361.db2.gz	HHFJOVADSSQJEF-IAGOWNOFSA-N	1	0	359.470	1.922	20	30		FDEDRO
Cc1cc(N2CCC[C@H]([NH2+]C[C@H](O)CC3(C#N)CCOCC3)C2)n(C)n1	ZINC000600736525	553309418	/nfs/dbraw/zinc/30/94/18/553309418.db2.gz	ZVVQQYBKDVYCBH-DLBZAZTESA-N	1	0	361.490	1.358	20	30		FDEDRO
C[S@](=O)Cc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2C#N)cc1	ZINC000600741556	553309604	/nfs/dbraw/zinc/30/96/04/553309604.db2.gz	PDMZPOLGRCRVIA-CJAUYULYSA-N	1	0	358.463	1.966	20	30		FDEDRO
COC[C@]1(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)OCCc2ccccc21	ZINC000600741824	553309619	/nfs/dbraw/zinc/30/96/19/553309619.db2.gz	QNNYTXITYIWVTM-NQIIRXRSSA-N	1	0	374.481	1.762	20	30		FDEDRO
C[S@@](=O)Cc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2C#N)cc1	ZINC000600741559	553309644	/nfs/dbraw/zinc/30/96/44/553309644.db2.gz	PDMZPOLGRCRVIA-IQGLISFBSA-N	1	0	358.463	1.966	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)CCOCC1	ZINC000600742541	553310090	/nfs/dbraw/zinc/31/00/90/553310090.db2.gz	WTUFROPPQOHQHX-QZTJIDSGSA-N	1	0	372.469	1.954	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]C[C@@H](O)COc2ccc(F)cc2)CCOCC1	ZINC000600745530	553310440	/nfs/dbraw/zinc/31/04/40/553310440.db2.gz	RJPBVATXWHCLGW-JKSUJKDBSA-N	1	0	352.406	1.226	20	30		FDEDRO
C[NH+](C)CCn1cc(C(=O)NCCSCc2ccccc2C#N)cn1	ZINC000600954080	553331339	/nfs/dbraw/zinc/33/13/39/553331339.db2.gz	NBKQTHOTQLHFGW-UHFFFAOYSA-N	1	0	357.483	1.980	20	30		FDEDRO
N#Cc1ncc(C(F)(F)F)cc1-n1cc(CCN2CC[NH2+]CC2)nn1	ZINC000600967823	553332710	/nfs/dbraw/zinc/33/27/10/553332710.db2.gz	WUSJWODTLRVKIJ-UHFFFAOYSA-N	1	0	351.336	1.000	20	30		FDEDRO
CCOC(=O)C1(C)CC([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000601278583	553367908	/nfs/dbraw/zinc/36/79/08/553367908.db2.gz	WDKCXYPFXTWMJC-OHTSDLOESA-N	1	0	355.438	1.981	20	30		FDEDRO
Cc1cc(F)cc(C#N)c1S(=O)(=O)NC[C@@H](C)CN1CC[NH+](C)CC1	ZINC000601357902	553384646	/nfs/dbraw/zinc/38/46/46/553384646.db2.gz	YUHJFJDVSWHTOW-CYBMUJFWSA-N	1	0	368.478	1.168	20	30		FDEDRO
Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@@H](C)CCN1CC[NH+](C)CC1	ZINC000601397184	553393796	/nfs/dbraw/zinc/39/37/96/553393796.db2.gz	KWFKWQLIZOSZMZ-AWEZNQCLSA-N	1	0	368.478	1.310	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CCN(S(=O)(=O)CCC[NH+]3CCCC3)C2)nc1	ZINC000601419635	553400729	/nfs/dbraw/zinc/40/07/29/553400729.db2.gz	LKZKSZLGXJBHMF-INIZCTEOSA-N	1	0	364.471	1.222	20	30		FDEDRO
Cc1cccc(C[N@H+]2CC[C@@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C2)c1	ZINC000601523057	553428190	/nfs/dbraw/zinc/42/81/90/553428190.db2.gz	OBQIUDZSKTYCSB-DOTOQJQBSA-N	1	0	350.488	1.638	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N[C@H]1CC[N@H+](Cc2cccc(C)c2)C1	ZINC000601523933	553428522	/nfs/dbraw/zinc/42/85/22/553428522.db2.gz	QYWHQOCNOBVXHT-KRWDZBQOSA-N	1	0	350.488	1.639	20	30		FDEDRO
C[C@@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)n1cnc(C#N)n1	ZINC000601704656	553459733	/nfs/dbraw/zinc/45/97/33/553459733.db2.gz	IIEXUSITERGFNQ-VYDXJSESSA-N	1	0	352.442	1.595	20	30		FDEDRO
C[C@]([NH3+])(C(=O)N1CCN(CCC#N)CC1)c1ccc(Br)cc1	ZINC000601850264	553481328	/nfs/dbraw/zinc/48/13/28/553481328.db2.gz	BOZQTJWXJMYFSP-MRXNPFEDSA-N	1	0	365.275	1.681	20	30		FDEDRO
C[C@](O)(C[C@H](O)C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1CC1	ZINC000601967167	553496825	/nfs/dbraw/zinc/49/68/25/553496825.db2.gz	UHVZUAQEBVTJMV-BJLQDIEVSA-N	1	0	357.454	1.555	20	30		FDEDRO
COC(=O)c1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1C	ZINC000602018130	553502056	/nfs/dbraw/zinc/50/20/56/553502056.db2.gz	VBNNEQUUHMFHCF-KRWDZBQOSA-N	1	0	366.421	1.574	20	30		FDEDRO
N#CCCN1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1	ZINC000602204855	553539725	/nfs/dbraw/zinc/53/97/25/553539725.db2.gz	ZITIFTGGDDWCLO-LJQANCHMSA-N	1	0	356.470	1.242	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)N2CCN(CCC#N)CC2)C[N@@H+]1Cc1ccccc1	ZINC000602274483	553554474	/nfs/dbraw/zinc/55/44/74/553554474.db2.gz	RUWSOUGGXBWWLZ-PKOBYXMFSA-N	1	0	355.486	1.890	20	30		FDEDRO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCCN1CCN(c2ncccn2)CC1	ZINC000602509350	553595520	/nfs/dbraw/zinc/59/55/20/553595520.db2.gz	GHLSZXWPIPCIKB-SFHVURJKSA-N	1	0	372.517	1.677	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+]CCCN1CCC[C@H]1C(=O)N(C)C	ZINC000602527287	553599121	/nfs/dbraw/zinc/59/91/21/553599121.db2.gz	NRZYORYDXNSAPK-SJORKVTESA-N	1	0	350.507	1.618	20	30		FDEDRO
C[C@H](C[C@H]1CCCC(=O)N1)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000602628544	553614371	/nfs/dbraw/zinc/61/43/71/553614371.db2.gz	BEIBFGVNQXMVMD-OLMNPRSZSA-N	1	0	354.454	1.696	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCCC[C@@H]1NS(C)(=O)=O	ZINC000602661177	553619888	/nfs/dbraw/zinc/61/98/88/553619888.db2.gz	KEDTZDVEYVCWRU-OAGGEKHMSA-N	1	0	357.520	1.783	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)cc1OCCCC#N	ZINC000602732939	553628727	/nfs/dbraw/zinc/62/87/27/553628727.db2.gz	VWDMUVGXCZZFJO-BGYRXZFFSA-N	1	0	371.437	1.862	20	30		FDEDRO
C[NH+](C)CCOc1cccc(NC(=O)N2CCN(C(=O)CC#N)CC2)c1	ZINC000602795993	553640544	/nfs/dbraw/zinc/64/05/44/553640544.db2.gz	JBJJQFWTFARDPE-UHFFFAOYSA-N	1	0	359.430	1.217	20	30		FDEDRO
Cc1ncc(CNC(=O)CC[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)s1	ZINC000602839516	553648247	/nfs/dbraw/zinc/64/82/47/553648247.db2.gz	KDZZEMIGXNQHLQ-OAHLLOKOSA-N	1	0	371.466	1.878	20	30		FDEDRO
C[C@H]1C[NH+](CCC(=O)N2CCN(c3ccccn3)CC2)C[C@H](C)N1CC#N	ZINC000602854176	553651326	/nfs/dbraw/zinc/65/13/26/553651326.db2.gz	AGNRPNIFRSUMDO-ROUUACIJSA-N	1	0	370.501	1.038	20	30		FDEDRO
COC(=O)c1ccc(OC[C@@H](O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1	ZINC000602857796	553652567	/nfs/dbraw/zinc/65/25/67/553652567.db2.gz	VCKNHQVVNGODEK-UXLLHSPISA-N	1	0	361.442	1.131	20	30		FDEDRO
C[NH+](C)C[C@H]1COC2(CCCC2)CN1C[C@H](O)COc1ccccc1C#N	ZINC000602907140	553666452	/nfs/dbraw/zinc/66/64/52/553666452.db2.gz	NJUQMJVQQZQXRD-OALUTQOASA-N	1	0	373.497	1.873	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)CN1CC2(CCCC2)OC[C@H]1C[NH+](C)C	ZINC000602912312	553667531	/nfs/dbraw/zinc/66/75/31/553667531.db2.gz	IUDYZHNPVNCRHU-AEFFLSMTSA-N	1	0	350.507	1.616	20	30		FDEDRO
COC[C@](C)(CO)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000602932500	553672657	/nfs/dbraw/zinc/67/26/57/553672657.db2.gz	OYEMJYKFEVOZDA-KRWDZBQOSA-N	1	0	351.472	1.814	20	30		FDEDRO
C[C@]12C[N@@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C[C@@]1(C)C(=O)NC2=O	ZINC000602937089	553674171	/nfs/dbraw/zinc/67/41/71/553674171.db2.gz	PXAQTNIAXHHORJ-YSGRDPCXSA-N	1	0	366.421	1.038	20	30		FDEDRO
CN(CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1CCC[C@H]1C#N	ZINC000602974013	553684911	/nfs/dbraw/zinc/68/49/11/553684911.db2.gz	IUYKLSXGPOGXGJ-ROUUACIJSA-N	1	0	362.518	1.762	20	30		FDEDRO
Cn1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1=O	ZINC000603015162	553694592	/nfs/dbraw/zinc/69/45/92/553694592.db2.gz	CXVRRSPFTKCMDI-UHFFFAOYSA-N	1	0	365.437	1.997	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C[C@@H](C)N1CC#N	ZINC000603102247	553708908	/nfs/dbraw/zinc/70/89/08/553708908.db2.gz	ZAEHBHFUMONZLG-ZHALLVOQSA-N	1	0	355.486	1.738	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F	ZINC000603145083	553715511	/nfs/dbraw/zinc/71/55/11/553715511.db2.gz	MDGQYLOREWOCEC-HOCLYGCPSA-N	1	0	357.376	1.873	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1	ZINC000603156952	553717756	/nfs/dbraw/zinc/71/77/56/553717756.db2.gz	NQDJCNUCBHXOJQ-APWZRJJASA-N	1	0	356.470	1.564	20	30		FDEDRO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)n1cc(CN2CC[NH2+]CC2)nn1	ZINC000603188262	553726947	/nfs/dbraw/zinc/72/69/47/553726947.db2.gz	IUDGIERJVHSWFJ-GFCCVEGCSA-N	1	0	373.848	1.408	20	30		FDEDRO
CC(C)C[C@H](NS(=O)(=O)CCCCC#N)C(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000603375482	553775096	/nfs/dbraw/zinc/77/50/96/553775096.db2.gz	FVQQROOHVIPJIJ-HOTGVXAUSA-N	1	0	372.535	1.177	20	30		FDEDRO
CSC1(CNc2ccc(C#N)cc2CS(N)(=O)=O)CC[NH+](C)CC1	ZINC000603380046	553775759	/nfs/dbraw/zinc/77/57/59/553775759.db2.gz	BYRRDADLMAOWBU-UHFFFAOYSA-N	1	0	368.528	1.586	20	30		FDEDRO
C[N@@H+]1CCCN(CCCNS(=O)(=O)c2ccc(F)cc2C#N)CC1	ZINC000603401694	553780404	/nfs/dbraw/zinc/78/04/04/553780404.db2.gz	FTMULTLZNWJOBV-UHFFFAOYSA-N	1	0	354.451	1.003	20	30		FDEDRO
N#Cc1ccc(CCC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)cc1	ZINC000603408131	553781554	/nfs/dbraw/zinc/78/15/54/553781554.db2.gz	CAKMXFHKNWJWGG-HXUWFJFHSA-N	1	0	370.497	1.404	20	30		FDEDRO
N#Cc1cccc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)c1[N+](=O)[O-]	ZINC000603423131	553784821	/nfs/dbraw/zinc/78/48/21/553784821.db2.gz	MIJADNRHHGYBIN-MRXNPFEDSA-N	1	0	359.430	1.675	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)CCCC[NH+](C)C)cc1	ZINC000607033351	554114321	/nfs/dbraw/zinc/11/43/21/554114321.db2.gz	RBEYLYMTYKIKLB-UHFFFAOYSA-N	1	0	353.488	1.565	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)nc1	ZINC000608991478	554332240	/nfs/dbraw/zinc/33/22/40/554332240.db2.gz	GMGUVQHFLAMLOQ-MSOLQXFVSA-N	1	0	368.485	1.848	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C1	ZINC000609269424	554353869	/nfs/dbraw/zinc/35/38/69/554353869.db2.gz	QDSLRAZAHQYOOG-MJGOQNOKSA-N	1	0	356.470	1.754	20	30		FDEDRO
CCC(CC)[C@H](CNC(=O)NC1CCN(CC#N)CC1)[NH+]1CCOCC1	ZINC000609336794	554367755	/nfs/dbraw/zinc/36/77/55/554367755.db2.gz	KPEFHDLJPFQPFP-SFHVURJKSA-N	1	0	365.522	1.411	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000609492248	554383512	/nfs/dbraw/zinc/38/35/12/554383512.db2.gz	JFZRLTZWWYZQFP-GOSISDBHSA-N	1	0	366.469	1.859	20	30		FDEDRO
N#CCN1CCC([NH2+]Cc2ccccc2OCC(=O)NCC2CC2)CC1	ZINC000609708406	554414212	/nfs/dbraw/zinc/41/42/12/554414212.db2.gz	BMBZWTRBDPLPNX-UHFFFAOYSA-N	1	0	356.470	1.669	20	30		FDEDRO
Cc1nnc(CN2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)[nH]1	ZINC000609849132	554428881	/nfs/dbraw/zinc/42/88/81/554428881.db2.gz	FHACXKATKZQJNC-UHFFFAOYSA-N	1	0	353.430	1.131	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)C(C)(C)CO	ZINC000609895005	554435621	/nfs/dbraw/zinc/43/56/21/554435621.db2.gz	YNIJNPIREPZMJC-UHFFFAOYSA-N	1	0	350.463	1.654	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)CC1	ZINC000610240349	554476634	/nfs/dbraw/zinc/47/66/34/554476634.db2.gz	QXSJVNZLWRSTOH-UHFFFAOYSA-N	1	0	354.454	1.643	20	30		FDEDRO
CCN(C(=O)[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000610345930	554494177	/nfs/dbraw/zinc/49/41/77/554494177.db2.gz	CWXXYUXIKSCJLW-JKIFEVAISA-N	1	0	363.483	1.633	20	30		FDEDRO
CC(C)[NH+]1CCN([C@H]2CCN(c3ncnc4c3cnn4CCC#N)C2)CC1	ZINC000610726034	554554663	/nfs/dbraw/zinc/55/46/63/554554663.db2.gz	CDNQSFCEPGUSAX-INIZCTEOSA-N	1	0	368.489	1.345	20	30		FDEDRO
COC(=O)CC1([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CCOCC1	ZINC000610989446	554591259	/nfs/dbraw/zinc/59/12/59/554591259.db2.gz	CXYYGAFFVXNIFX-INIZCTEOSA-N	1	0	362.426	1.194	20	30		FDEDRO
CC(C)[NH+]1CCN(C2CCN(S(=O)(=O)CCCCC#N)CC2)CC1	ZINC000611167763	554611188	/nfs/dbraw/zinc/61/11/88/554611188.db2.gz	SPEKTGFMOABUQP-UHFFFAOYSA-N	1	0	356.536	1.500	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1cccc(C#N)c1	ZINC000611388998	554630470	/nfs/dbraw/zinc/63/04/70/554630470.db2.gz	VQBHILDBMPZIGT-GFCCVEGCSA-N	1	0	358.423	1.495	20	30		FDEDRO
CN(CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)C(=O)C1CC1	ZINC000611505012	554638773	/nfs/dbraw/zinc/63/87/73/554638773.db2.gz	OPXWWPPUCKQLHY-UHFFFAOYSA-N	1	0	354.454	1.529	20	30		FDEDRO
N#C[C@H](c1ccc(F)cc1)N1CC[NH+](CCC(=O)N2CCOCC2)CC1	ZINC000611553410	554645811	/nfs/dbraw/zinc/64/58/11/554645811.db2.gz	ZICMIXMAFRIWBM-GOSISDBHSA-N	1	0	360.433	1.257	20	30		FDEDRO
CN(C)C(=O)CC1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000611575631	554648510	/nfs/dbraw/zinc/64/85/10/554648510.db2.gz	ROBKHZKUBYHCNK-SFHVURJKSA-N	1	0	359.470	1.683	20	30		FDEDRO
C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCC[C@](C)(C#N)C2)cc1	ZINC000612272006	554756460	/nfs/dbraw/zinc/75/64/60/554756460.db2.gz	PVDMCVPXUKZADO-LJQANCHMSA-N	1	0	358.442	1.718	20	30		FDEDRO
N#Cc1ncn(CC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1	ZINC000612358327	554766678	/nfs/dbraw/zinc/76/66/78/554766678.db2.gz	RNNZDUMXWVOLDL-KZNAEPCWSA-N	1	0	364.453	1.567	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](CO)[C@@H](C)c2ccccc2)CC1	ZINC000613390783	554920727	/nfs/dbraw/zinc/92/07/27/554920727.db2.gz	YZWHGJLOJWMULP-IHPCNDPISA-N	1	0	372.513	1.433	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1	ZINC000613859867	554980559	/nfs/dbraw/zinc/98/05/59/554980559.db2.gz	KKAOTZOLAIDZKQ-UXHICEINSA-N	1	0	371.529	1.571	20	30		FDEDRO
COC(=O)CC1([NH2+]Cc2ccc(C#N)cc2C)CCS(=O)(=O)CC1	ZINC000615241626	555178159	/nfs/dbraw/zinc/17/81/59/555178159.db2.gz	CYACSMDEYBCWNO-UHFFFAOYSA-N	1	0	350.440	1.467	20	30		FDEDRO
N#Cc1cnn(-c2ccc(C(=O)NCC3CC[NH+](C4CC4)CC3)cc2)c1N	ZINC000618479969	555640402	/nfs/dbraw/zinc/64/04/02/555640402.db2.gz	GENZOXYBDOCSOV-UHFFFAOYSA-N	1	0	364.453	1.930	20	30		FDEDRO
C[C@@H](CNC(=O)N[C@H]1CCc2cc(C#N)ccc21)C[NH+]1CCN(C)CC1	ZINC000618815581	555680787	/nfs/dbraw/zinc/68/07/87/555680787.db2.gz	JTGMXLUYCVBMTQ-KXBFYZLASA-N	1	0	355.486	1.728	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1	ZINC000619064271	555719540	/nfs/dbraw/zinc/71/95/40/555719540.db2.gz	FVSHKFRZEKEKSG-HNNXBMFYSA-N	1	0	357.458	1.654	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H]([NH2+]C[C@H]3CNc4ccnn4C3)C2=O)cc1	ZINC000619264805	555747463	/nfs/dbraw/zinc/74/74/63/555747463.db2.gz	MHVSIAYWWZKNCQ-DLBZAZTESA-N	1	0	350.426	1.187	20	30		FDEDRO
N#CCc1cccc(S(=O)(=O)NCC2([NH+]3CCCC3)CCOCC2)c1	ZINC000619481988	555784982	/nfs/dbraw/zinc/78/49/82/555784982.db2.gz	CQWZUSZYVDPWRZ-UHFFFAOYSA-N	1	0	363.483	1.676	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2cccc(CC#N)c2)C[C@H]1[NH+]1CCCC1	ZINC000619497597	555789452	/nfs/dbraw/zinc/78/94/52/555789452.db2.gz	PMJALDQNADEFGN-SJORKVTESA-N	1	0	365.524	1.953	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC1(C)C	ZINC000619675510	555820476	/nfs/dbraw/zinc/82/04/76/555820476.db2.gz	OIHJLLPSMVUASU-LJQANCHMSA-N	1	0	369.513	1.669	20	30		FDEDRO
C=CC[C@H]1CC[N@@H+](CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)C1	ZINC000625704409	556907372	/nfs/dbraw/zinc/90/73/72/556907372.db2.gz	RXRITDCPFPQRIE-AWEZNQCLSA-N	1	0	351.472	1.787	20	30		FDEDRO
C=CCOc1cn(-c2ccccc2)nc1C(=O)NCC[N@H+]1CC[C@@H](O)C1	ZINC000629177607	557735788	/nfs/dbraw/zinc/73/57/88/557735788.db2.gz	JMRRTRGROJSFEW-MRXNPFEDSA-N	1	0	356.426	1.234	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N(C)CCOCC[NH3+]	ZINC000629786296	557833892	/nfs/dbraw/zinc/83/38/92/557833892.db2.gz	RTZNNUHBODEAOK-UHFFFAOYSA-N	1	0	359.879	1.350	20	30		FDEDRO
C=CCN(Cc1ccccc1F)S(=O)(=O)CCCN1CC[NH+](C)CC1	ZINC000631782506	558041650	/nfs/dbraw/zinc/04/16/50/558041650.db2.gz	PCJJATGQHKNWFB-UHFFFAOYSA-N	1	0	369.506	1.781	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NS(=O)(=O)CCCN1CC[NH+](C)CC1	ZINC000632459135	558157552	/nfs/dbraw/zinc/15/75/52/558157552.db2.gz	FXBSRBRBRZATRR-LJQANCHMSA-N	1	0	365.543	1.731	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000636833562	568124074	/nfs/dbraw/zinc/12/40/74/568124074.db2.gz	PVKPTDYRGCVPNG-DLBZAZTESA-N	1	0	365.518	1.589	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000735375514	598930244	/nfs/dbraw/zinc/93/02/44/598930244.db2.gz	MNIGEVODWYOZGE-AWEZNQCLSA-N	1	0	368.441	1.238	20	30		FDEDRO
C#CCCCNC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000819693417	599468185	/nfs/dbraw/zinc/46/81/85/599468185.db2.gz	RRLYOUZRFZJLHW-UHFFFAOYSA-N	1	0	367.457	1.497	20	30		FDEDRO
COC(=O)CC[N@@H+](CCCOc1cccc(C#N)c1)CC(OC)OC	ZINC000272741380	674471718	/nfs/dbraw/zinc/47/17/18/674471718.db2.gz	HCXRDQOARZYFNQ-UHFFFAOYSA-N	1	0	350.415	1.811	20	30		FDEDRO
C[C@@H]1C[N@@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC[C@H]1N1CC[NH+](C)CC1	ZINC000833621819	605051070	/nfs/dbraw/zinc/05/10/70/605051070.db2.gz	JWNZTWXRXKKHPS-ATZDWAIDSA-N	1	0	356.470	1.642	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=NOCc2ccc(F)cc2-c2nn[nH]n2)cc1	ZINC000821587280	606178519	/nfs/dbraw/zinc/17/85/19/606178519.db2.gz	OUUHAVHVGXSFLT-UHFFFAOYSA-N	1	0	369.404	1.905	20	30		FDEDRO
C=C(C)C[NH+]1CCC(Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1	ZINC000273440278	674537601	/nfs/dbraw/zinc/53/76/01/674537601.db2.gz	CSEUPLNSCFSZIJ-UHFFFAOYSA-N	1	0	354.432	1.695	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C	ZINC000273474918	674540950	/nfs/dbraw/zinc/54/09/50/674540950.db2.gz	RBEBQZZYOQJVJD-HUUCEWRRSA-N	1	0	351.447	1.543	20	30		FDEDRO
C#CCC[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3c(F)ccc(F)c32)CC1	ZINC000823844631	608376718	/nfs/dbraw/zinc/37/67/18/608376718.db2.gz	DUJLHUPQKNOFQB-UHFFFAOYSA-N	1	0	369.379	1.838	20	30		FDEDRO
N#Cc1cccc(C2([NH2+]CC(=O)Nc3ccc(-c4nn[nH]n4)cc3)CC2)c1	ZINC000826386633	608532690	/nfs/dbraw/zinc/53/26/90/608532690.db2.gz	MNRZHUWHSAXVSX-UHFFFAOYSA-N	1	0	359.393	1.956	20	30		FDEDRO
CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000274474500	674592626	/nfs/dbraw/zinc/59/26/26/674592626.db2.gz	QBMGZUCOPDHKPP-UHFFFAOYSA-N	1	0	364.471	1.061	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)CC1(O)CCOCC1)C(C)C	ZINC000275636179	674627095	/nfs/dbraw/zinc/62/70/95/674627095.db2.gz	MPMJUQHMPHZZSX-KRWDZBQOSA-N	1	0	353.507	1.868	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NCC2([NH+](C)C)CCC2)ccc1F	ZINC000276053344	674694767	/nfs/dbraw/zinc/69/47/67/674694767.db2.gz	UNOCHPAOTWSULM-UHFFFAOYSA-N	1	0	369.462	1.504	20	30		FDEDRO
C[NH+](C)CCOc1cccc(CNS(=O)(=O)c2cccnc2C#N)c1	ZINC000277104640	674858253	/nfs/dbraw/zinc/85/82/53/674858253.db2.gz	XEQDNGPKBXDXMH-UHFFFAOYSA-N	1	0	360.439	1.372	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(C)C2CC[NH+](CC)CC2)c1	ZINC000045906785	670984987	/nfs/dbraw/zinc/98/49/87/670984987.db2.gz	PLYMIINJQRGHHT-UHFFFAOYSA-N	1	0	365.499	1.707	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NC[C@H](O)c3ccco3)=[NH+]C[C@H]2C1	ZINC000089120453	671491727	/nfs/dbraw/zinc/49/17/27/671491727.db2.gz	COQNRHCJYXCFFN-STQMWFEESA-N	1	0	350.419	1.194	20	30		FDEDRO
CCC[NH+]1CCN(C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)CC1	ZINC000287493708	675917381	/nfs/dbraw/zinc/91/73/81/675917381.db2.gz	ZSNVULNQNWXVCO-AWEZNQCLSA-N	1	0	364.471	1.932	20	30		FDEDRO
C[C@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)Cn1cccn1	ZINC000104174821	671594674	/nfs/dbraw/zinc/59/46/74/671594674.db2.gz	JUYFANAPJUMROJ-CQSZACIVSA-N	1	0	350.467	1.387	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1	ZINC000104167998	671594708	/nfs/dbraw/zinc/59/47/08/671594708.db2.gz	YCQSBHCIXCFQRP-LSDHHAIUSA-N	1	0	353.511	1.632	20	30		FDEDRO
CC(C)CCNC(=[NH2+])NCc1ccc(S(=O)(=O)N2CCOCC2)s1	ZINC000104171635	671594810	/nfs/dbraw/zinc/59/48/10/671594810.db2.gz	QWQILTTZOYYLHQ-UHFFFAOYSA-N	1	0	374.532	1.219	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)NC2(C#N)CCCCC2)C1	ZINC000106868343	671608458	/nfs/dbraw/zinc/60/84/58/671608458.db2.gz	CSXVVTVUZGNOAY-AWEZNQCLSA-N	1	0	350.463	1.928	20	30		FDEDRO
C[NH+](C)CCNC(=O)CC1S/C(=N/c2ccc3c(c2)CCC3)NC1=O	ZINC000106898577	671608957	/nfs/dbraw/zinc/60/89/57/671608957.db2.gz	RYJKHAAGGORXNS-OAHLLOKOSA-N	1	0	360.483	1.462	20	30		FDEDRO
C[NH+]=C(NCc1nc(C)c(C)s1)N[C@@H]1CCCN(c2cnn(C)c2)C1	ZINC000128701299	671779078	/nfs/dbraw/zinc/77/90/78/671779078.db2.gz	KLQMYAVSOGKNOP-CQSZACIVSA-N	1	0	361.519	1.827	20	30		FDEDRO
CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H]2CCN(S(C)(=O)=O)C2)cc1	ZINC000133838639	671823942	/nfs/dbraw/zinc/82/39/42/671823942.db2.gz	PXWIWNSMTBWEJQ-ZDUSSCGKSA-N	1	0	354.476	1.482	20	30		FDEDRO
C#CCSCCNC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000154089168	671914724	/nfs/dbraw/zinc/91/47/24/671914724.db2.gz	FOEXMCGMIADMNT-UHFFFAOYSA-N	1	0	362.499	1.144	20	30		FDEDRO
C=CCn1c(=S)n(CN2CC[NH+](C3CC3)CC2)nc1-c1cnccn1	ZINC000157497703	671969324	/nfs/dbraw/zinc/96/93/24/671969324.db2.gz	OWZPBIYJUBFRQQ-UHFFFAOYSA-N	1	0	357.487	1.795	20	30		FDEDRO
C[NH+]=C(NCc1cccc(CS(C)(=O)=O)c1)N1CC[C@]2(CCOC2)C1	ZINC000158067177	671976746	/nfs/dbraw/zinc/97/67/46/671976746.db2.gz	NDTWIUQABCKYJU-SFHVURJKSA-N	1	0	365.499	1.419	20	30		FDEDRO
[NH2+]=C(NCC1CCS(=O)(=O)CC1)N1CCN(c2ccc(F)cc2)CC1	ZINC000158344458	671978893	/nfs/dbraw/zinc/97/88/93/671978893.db2.gz	YAANWNRYUSUUGM-UHFFFAOYSA-N	1	0	368.478	1.087	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC(OCC[NH+]3CCCC3)CC2)o1	ZINC000288131599	675964120	/nfs/dbraw/zinc/96/41/20/675964120.db2.gz	MRWCPGYFYOFDMA-UHFFFAOYSA-N	1	0	353.444	1.417	20	30		FDEDRO
C#CCCC[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1	ZINC000178055571	672134563	/nfs/dbraw/zinc/13/45/63/672134563.db2.gz	AWHCCFSBESQTGA-ZDUSSCGKSA-N	1	0	358.485	1.476	20	30		FDEDRO
CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@H]1CCN(c2ncccc2Cl)C1	ZINC000185537768	672260845	/nfs/dbraw/zinc/26/08/45/672260845.db2.gz	QHBJDGXODBGUEG-ZDUSSCGKSA-N	1	0	366.897	1.346	20	30		FDEDRO
CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)CC1(C#N)CC1	ZINC000188955099	672301847	/nfs/dbraw/zinc/30/18/47/672301847.db2.gz	CMNYGAWPNOPAHB-SFHVURJKSA-N	1	0	363.483	1.189	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C(F)(F)F)n2)CC1	ZINC000190855557	672334349	/nfs/dbraw/zinc/33/43/49/672334349.db2.gz	LEZCSXUGVDHLKV-UHFFFAOYSA-N	1	0	356.348	1.806	20	30		FDEDRO
C=CCN(CCOC)CC(=O)Nc1sc2c(c1C(N)=O)CCCC2	ZINC000191109586	672338425	/nfs/dbraw/zinc/33/84/25/672338425.db2.gz	UXWRFFKXWLAHCQ-UHFFFAOYSA-N	1	0	351.472	1.799	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000192579692	672356374	/nfs/dbraw/zinc/35/63/74/672356374.db2.gz	BOORZVVRFHRIDK-UONOGXRCSA-N	1	0	353.488	1.798	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1	ZINC000192585701	672356482	/nfs/dbraw/zinc/35/64/82/672356482.db2.gz	PFDIUYOTLPTWNM-LSDHHAIUSA-N	1	0	365.499	1.506	20	30		FDEDRO
CC(C)(C)OC(=O)NC[C@H]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)C1	ZINC000245201067	672439269	/nfs/dbraw/zinc/43/92/69/672439269.db2.gz	OEOPPXALFBBUMP-FZKQIMNGSA-N	1	0	350.463	1.641	20	30		FDEDRO
C[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCS1	ZINC000245638070	672455627	/nfs/dbraw/zinc/45/56/27/672455627.db2.gz	CRYPKGLCHYCKHD-HUUCEWRRSA-N	1	0	364.540	1.894	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CON=Cc2ccccc2F)C1	ZINC000255371863	672616783	/nfs/dbraw/zinc/61/67/83/672616783.db2.gz	ANROBFAUNLVELK-MRXNPFEDSA-N	1	0	351.422	1.649	20	30		FDEDRO
C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N1CCC[C@H](CC(N)=O)C1	ZINC000261678702	672649524	/nfs/dbraw/zinc/64/95/24/672649524.db2.gz	CUTIOACBWLIDGG-SECBINFHSA-N	1	0	363.409	1.825	20	30		FDEDRO
CS(=O)(=O)N1CCC(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)CC1	ZINC000261727993	672659831	/nfs/dbraw/zinc/65/98/31/672659831.db2.gz	XUXBENOVJUSNHL-UHFFFAOYSA-N	1	0	350.488	1.574	20	30		FDEDRO
CC[C@@H](C)NC(=[NH2+])NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000261877498	672686924	/nfs/dbraw/zinc/68/69/24/672686924.db2.gz	QHHTWJOGIOSSDH-CYBMUJFWSA-N	1	0	351.882	1.691	20	30		FDEDRO
C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNC(=[NH2+])NC3CC3)cc2)C1	ZINC000261882863	672687862	/nfs/dbraw/zinc/68/78/62/672687862.db2.gz	RIAOLUUSBLSLKO-CYBMUJFWSA-N	1	0	350.488	1.674	20	30		FDEDRO
CC[NH+]=C(NCCN1CCC[C@@H](C)C1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261938881	672697809	/nfs/dbraw/zinc/69/78/09/672697809.db2.gz	DBUDASRRODDFKC-OAHLLOKOSA-N	1	0	358.552	1.193	20	30		FDEDRO
C[NH+]=C(NC[C@H](C1CCCCC1)N(C)C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261955883	672701728	/nfs/dbraw/zinc/70/17/28/672701728.db2.gz	ITBSCVUGTCNEKU-MRXNPFEDSA-N	1	0	372.579	1.581	20	30		FDEDRO
C[NH+]=C(NCCNC(=O)c1ccc(Cl)cc1)N1CC[C@]2(CCOC2)C1	ZINC000261963381	672703380	/nfs/dbraw/zinc/70/33/80/672703380.db2.gz	KULXYTQHAXAGCB-SFHVURJKSA-N	1	0	364.877	1.758	20	30		FDEDRO
CC[NH+]=C(NC[C@H](O)c1ccc(C)cc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261982569	672706503	/nfs/dbraw/zinc/70/65/03/672706503.db2.gz	PFDMRHYMQTUYRT-INIZCTEOSA-N	1	0	367.515	1.503	20	30		FDEDRO
C[NH+]=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)NC[C@@H]1COCCO1	ZINC000262002218	672709613	/nfs/dbraw/zinc/70/96/13/672709613.db2.gz	UDSKAOAUOJGJOB-ZIAGYGMSSA-N	1	0	362.257	1.607	20	30		FDEDRO
C[NH+]=C(NCc1nc(C)c(C)s1)N[C@@H]1CCc2nc(COC)nn2C1	ZINC000262023195	672713481	/nfs/dbraw/zinc/71/34/81/672713481.db2.gz	ZFMRJLPGTSWXTC-GFCCVEGCSA-N	1	0	363.491	1.178	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1	ZINC000262034503	672715658	/nfs/dbraw/zinc/71/56/58/672715658.db2.gz	ATZNCANSPVHDSA-UHFFFAOYSA-N	1	0	352.456	1.034	20	30		FDEDRO
C[NH+]=C(NCCNS(=O)(=O)c1ccccc1)N1CCSC(C)(C)C1	ZINC000262046612	672717447	/nfs/dbraw/zinc/71/74/47/672717447.db2.gz	ZBCAYLXXTJWHJS-UHFFFAOYSA-N	1	0	370.544	1.368	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)ccc1C(F)(F)F	ZINC000262109920	672727663	/nfs/dbraw/zinc/72/76/63/672727663.db2.gz	UMKQGGPROJCCBX-CQSZACIVSA-N	1	0	359.373	1.951	20	30		FDEDRO
C#C[C@@H](NC(NCCN1CCOCC1)=[NH+]C)c1ccc(Cl)cc1F	ZINC000262199483	672745110	/nfs/dbraw/zinc/74/51/10/672745110.db2.gz	ANNBZEBISGWXID-MRXNPFEDSA-N	1	0	352.841	1.651	20	30		FDEDRO
CN(C)C(=O)CNC(=[NH+]C1CCCCC1)N1CCC2(C1)CCOCC2	ZINC000262255970	672756037	/nfs/dbraw/zinc/75/60/37/672756037.db2.gz	CQCILEIVPRDJPM-UHFFFAOYSA-N	1	0	350.507	1.855	20	30		FDEDRO
[NH2+]=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)N1CCOCC1	ZINC000262288976	672762552	/nfs/dbraw/zinc/76/25/52/672762552.db2.gz	MRFUQOMFAUYLAH-UHFFFAOYSA-N	1	0	362.743	1.548	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCO[C@H](C2CC2)C1	ZINC000262331976	672771757	/nfs/dbraw/zinc/77/17/57/672771757.db2.gz	BDNYSTUSGBOJIO-IMJJTQAJSA-N	1	0	357.520	1.322	20	30		FDEDRO
CC[C@]1(C)CCN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCOCC2)C1	ZINC000262341703	672773607	/nfs/dbraw/zinc/77/36/07/672773607.db2.gz	CRMIKWXVZDDLIQ-MAUKXSAKSA-N	1	0	371.547	1.668	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(NCc2ccc3c(c2)OCO3)=[NH+]C2CC2)C1	ZINC000262366660	672777729	/nfs/dbraw/zinc/77/77/29/672777729.db2.gz	HWMTXKMCZVUMSR-CYBMUJFWSA-N	1	0	365.455	1.048	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(N[C@@H]2CCO[C@@H](C3CC3)C2)=[NH+]C2CC2)C1	ZINC000262377347	672779210	/nfs/dbraw/zinc/77/92/10/672779210.db2.gz	JTAGGYOLNUTRTQ-DAXOMENPSA-N	1	0	355.504	1.076	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(NCc2ccsc2)=[NH+]C2CCOCC2)C1	ZINC000262386646	672781183	/nfs/dbraw/zinc/78/11/83/672781183.db2.gz	LMAYZCJDBWWKPR-CQSZACIVSA-N	1	0	371.528	1.397	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCc2c(F)cc(F)cc2C1	ZINC000262403032	672783811	/nfs/dbraw/zinc/78/38/11/672783811.db2.gz	OASUQAHOZXXEOS-NSHDSACASA-N	1	0	357.426	1.333	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@@]2(C1)OCc1ccccc12	ZINC000262426010	672787547	/nfs/dbraw/zinc/78/75/47/672787547.db2.gz	RPMDHCFBMZMPJR-KSSFIOAISA-N	1	0	363.483	1.128	20	30		FDEDRO
C[NH+]=C(NCCN1CCCS1(=O)=O)N1CC[C@H](Cc2ccccc2)C1	ZINC000262428548	672787989	/nfs/dbraw/zinc/78/79/89/672787989.db2.gz	DHSZYGDNAKUITR-QGZVFWFLSA-N	1	0	364.515	1.162	20	30		FDEDRO
CC(C)[NH+]=C(NCc1cc(F)ccc1F)NC[C@H]1CCS(=O)(=O)C1	ZINC000262455611	672792672	/nfs/dbraw/zinc/79/26/72/672792672.db2.gz	WSWFIRMMWREMGN-GFCCVEGCSA-N	1	0	359.442	1.843	20	30		FDEDRO
CN(C)C(NCc1ccccc1)=[NH+]C[C@@H]1CCCC[C@H]1NS(C)(=O)=O	ZINC000262631553	672821585	/nfs/dbraw/zinc/82/15/85/672821585.db2.gz	FVWGMNNRSCVMDM-DLBZAZTESA-N	1	0	366.531	1.802	20	30		FDEDRO
C[NH+]=C(NCCc1cc(Cl)c2c(c1)OCCO2)NC[C@@H]1CCOC1	ZINC000262655494	672826230	/nfs/dbraw/zinc/82/62/30/672826230.db2.gz	WXUYCXUASKPWSF-ZDUSSCGKSA-N	1	0	353.850	1.855	20	30		FDEDRO
C[C@@H]1CCCN(C(=[NH2+])NCCNS(=O)(=O)c2ccc(F)cc2F)C1	ZINC000262792721	672850407	/nfs/dbraw/zinc/85/04/07/672850407.db2.gz	OQEOMGJBQNDNAL-LLVKDONJSA-N	1	0	360.430	1.290	20	30		FDEDRO
C[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1	ZINC000262820421	672851602	/nfs/dbraw/zinc/85/16/02/672851602.db2.gz	WTFFTBLCUISTPR-RCJHGTSTSA-N	1	0	352.523	1.740	20	30		FDEDRO
C[NH+]=C(NCC(=O)OC(C)(C)C)N1CCS(=O)(=O)C2(CCCCC2)C1	ZINC000262821649	672851665	/nfs/dbraw/zinc/85/16/65/672851665.db2.gz	YIVUXTOPABAPCR-UHFFFAOYSA-N	1	0	373.519	1.337	20	30		FDEDRO
CCN(CC)C(=[NH2+])NCC1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000264065530	672899703	/nfs/dbraw/zinc/89/97/03/672899703.db2.gz	AYFLYSHKXCVQBM-UHFFFAOYSA-N	1	0	352.504	1.744	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCc2nccn2C(F)F)CC1	ZINC000264084714	672900704	/nfs/dbraw/zinc/90/07/04/672900704.db2.gz	IVUUQTZJUZUANA-UHFFFAOYSA-N	1	0	358.393	1.646	20	30		FDEDRO
CSc1nc(C)c(CCC(=O)N(CCC#N)CCC[NH+](C)C)c(=O)[nH]1	ZINC000264133917	672902506	/nfs/dbraw/zinc/90/25/06/672902506.db2.gz	FGBLCMQOGDMASL-UHFFFAOYSA-N	1	0	365.503	1.839	20	30		FDEDRO
CC(C)CCNC(=[NH2+])NCc1ccccc1CS(=O)(=O)NC(C)C	ZINC000264145872	672903428	/nfs/dbraw/zinc/90/34/28/672903428.db2.gz	XSAMCBNYJPVBEJ-UHFFFAOYSA-N	1	0	354.520	1.965	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2)C[C@H]1[NH+]1CCCC1	ZINC000289102475	676093832	/nfs/dbraw/zinc/09/38/32/676093832.db2.gz	HKCYJNYVXOBQJG-SJORKVTESA-N	1	0	365.524	1.900	20	30		FDEDRO
CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1	ZINC000289353184	676123787	/nfs/dbraw/zinc/12/37/87/676123787.db2.gz	JKKADRHAMKCXPV-SFHVURJKSA-N	1	0	364.515	1.892	20	30		FDEDRO
CCc1cccc(NC(=[NH2+])NCCS(=O)(=O)NC[C@H]2CCCCO2)c1	ZINC000267422320	673302300	/nfs/dbraw/zinc/30/23/00/673302300.db2.gz	KVQCYVGVLRGDOG-MRXNPFEDSA-N	1	0	368.503	1.464	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@](C)(O)c2cccs2)CC1	ZINC000267428129	673302983	/nfs/dbraw/zinc/30/29/83/673302983.db2.gz	LYYOJVJETAOJKF-INIZCTEOSA-N	1	0	354.476	1.481	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)C(C)C	ZINC000281508850	675525725	/nfs/dbraw/zinc/52/57/25/675525725.db2.gz	KYBJRPFPYBJWDB-HNNXBMFYSA-N	1	0	365.861	1.993	20	30		FDEDRO
COc1cc(C[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)ccc1C#N	ZINC000281696791	675546481	/nfs/dbraw/zinc/54/64/81/675546481.db2.gz	NMNYIGQMPFZGJN-UHFFFAOYSA-N	1	0	360.435	1.623	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(S(N)(=O)=O)oc1C)C(C)C	ZINC000281738003	675552841	/nfs/dbraw/zinc/55/28/41/675552841.db2.gz	XXSGECVLFGVGSC-OAHLLOKOSA-N	1	0	369.487	1.664	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1([S@](C)=O)CC1	ZINC000281924721	675576790	/nfs/dbraw/zinc/57/67/90/675576790.db2.gz	JTBGNDNHORBGNJ-VWLOTQADSA-N	1	0	362.499	1.543	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1	ZINC000282988294	675645903	/nfs/dbraw/zinc/64/59/03/675645903.db2.gz	MRJHRPBHIHDVBX-AWEZNQCLSA-N	1	0	356.467	1.668	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC1CC[NH+](CCc2ccccc2)CC1	ZINC000283005134	675647053	/nfs/dbraw/zinc/64/70/53/675647053.db2.gz	ZGCBJDPZOYLBRU-MRXNPFEDSA-N	1	0	364.515	1.619	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000283436114	675656859	/nfs/dbraw/zinc/65/68/59/675656859.db2.gz	CAUYHXWCHBEFIZ-UHFFFAOYSA-N	1	0	361.511	1.803	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N(C)Cc1nccs1)C(C)C	ZINC000283656152	675659827	/nfs/dbraw/zinc/65/98/27/675659827.db2.gz	BAOCBNFOWBUBKW-HNNXBMFYSA-N	1	0	364.515	1.916	20	30		FDEDRO
CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000292047644	676280926	/nfs/dbraw/zinc/28/09/26/676280926.db2.gz	AYEHLSYAOLKDRG-HOTGVXAUSA-N	1	0	364.471	1.078	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Br)c(C)c1	ZINC000293347934	676346595	/nfs/dbraw/zinc/34/65/95/676346595.db2.gz	KRHMLIVQVUDFDE-UHFFFAOYSA-N	1	0	366.259	1.767	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)CC[C@@H]1CCOC1	ZINC000293447990	676351348	/nfs/dbraw/zinc/35/13/48/676351348.db2.gz	KKFPDBSYMYHKMW-INIZCTEOSA-N	1	0	365.499	1.678	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1F	ZINC000293479034	676352483	/nfs/dbraw/zinc/35/24/83/676352483.db2.gz	RCUYOUOJVTYQFM-DZGCQCFKSA-N	1	0	367.446	1.114	20	30		FDEDRO
CN(CC[N@H+](C)CC#Cc1ccccc1)c1ccc(S(N)(=O)=O)cc1	ZINC000295280273	676403648	/nfs/dbraw/zinc/40/36/48/676403648.db2.gz	SRNKETMOYGEPGP-UHFFFAOYSA-N	1	0	357.479	1.754	20	30		FDEDRO
C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)Cc2ccc(F)cc2C#N)C1	ZINC000296101806	676414864	/nfs/dbraw/zinc/41/48/64/676414864.db2.gz	DNCIVZJXKLMZQR-DYVFJYSZSA-N	1	0	351.447	1.943	20	30		FDEDRO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+](CCO)CCO)sc2C1	ZINC000298244274	676444802	/nfs/dbraw/zinc/44/48/02/676444802.db2.gz	SMCSTCGVTQZRCT-GFCCVEGCSA-N	1	0	351.472	1.360	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])N[C@@H]2CCN(CC(F)(F)F)C2)cc1OC	ZINC000303879954	676543471	/nfs/dbraw/zinc/54/34/71/676543471.db2.gz	JVYPDRNHDLNMLM-GFCCVEGCSA-N	1	0	360.380	1.745	20	30		FDEDRO
CCN(CCCNC(=[NH2+])Nc1ccc(OC)c(Cl)c1)S(C)(=O)=O	ZINC000303898150	676543609	/nfs/dbraw/zinc/54/36/09/676543609.db2.gz	VJUNUSVUIDNQON-UHFFFAOYSA-N	1	0	362.883	1.747	20	30		FDEDRO
COCCNS(=O)(=O)c1cccc(CNC(=[NH2+])N2CCC[C@H](C)C2)c1	ZINC000304756733	676544289	/nfs/dbraw/zinc/54/42/89/676544289.db2.gz	NXYWCPLSJQLFCR-AWEZNQCLSA-N	1	0	368.503	1.158	20	30		FDEDRO
NS(=O)(=O)[C@@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1	ZINC000328622697	676600066	/nfs/dbraw/zinc/60/00/66/676600066.db2.gz	YHZDUZVRRREBEV-OAHLLOKOSA-N	1	0	372.535	1.452	20	30		FDEDRO
CS(=O)(=O)N1CC[C@H](CNC(=O)N2CCC([NH+]3CCCCC3)CC2)C1	ZINC000328709247	676603235	/nfs/dbraw/zinc/60/32/35/676603235.db2.gz	FUEHQOAUVJRDQO-OAHLLOKOSA-N	1	0	372.535	1.132	20	30		FDEDRO
O=C(Nc1ccccc1O)C1CC[NH+](CCN2CCCS2(=O)=O)CC1	ZINC000328814608	676608228	/nfs/dbraw/zinc/60/82/28/676608228.db2.gz	GHJDAXFPFYOSGV-UHFFFAOYSA-N	1	0	367.471	1.728	20	30		FDEDRO
CN1CCO[C@@H]2CCN(C(=O)CNC(=O)c3ccc(F)cc3F)C[C@H]21	ZINC000328914824	676611926	/nfs/dbraw/zinc/61/19/26/676611926.db2.gz	QLDLHXWGWQRAQU-HUUCEWRRSA-N	1	0	353.369	1.201	20	30		FDEDRO
COC[C@@H]1C[C@H](OC)CN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000328970750	676614434	/nfs/dbraw/zinc/61/44/34/676614434.db2.gz	BGQMNDWPJYQUDL-NXOAAHMSSA-N	1	0	355.479	1.014	20	30		FDEDRO
Cc1nnsc1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1cncn1C	ZINC000329064551	676618205	/nfs/dbraw/zinc/61/82/05/676618205.db2.gz	ONLANJQBRAKZAA-BXUZGUMPSA-N	1	0	360.443	1.779	20	30		FDEDRO
C[C@@H]1CCC[C@@](CNC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)([NH+](C)C)C1	ZINC000329074891	676618515	/nfs/dbraw/zinc/61/85/15/676618515.db2.gz	BPJDIPKQQACESF-ZXFNITATSA-N	1	0	351.495	1.713	20	30		FDEDRO
C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1nc(CN2CCOCC2)cs1	ZINC000329131311	676621872	/nfs/dbraw/zinc/62/18/72/676621872.db2.gz	XRXJPCIQQJEHDG-STQMWFEESA-N	1	0	353.492	1.545	20	30		FDEDRO
CN(CC1CCOCC1)C(=O)NC[C@@]1(N2CCOCC2)CCSC1	ZINC000329168217	676623272	/nfs/dbraw/zinc/62/32/72/676623272.db2.gz	IQUQGZSTUHJASS-KRWDZBQOSA-N	1	0	357.520	1.467	20	30		FDEDRO
C[C@@H]1Cc2cc(C(=O)NC[C@@H]3CC[N@H+](C)C3)ccc2N1S(C)(=O)=O	ZINC000329171426	676623537	/nfs/dbraw/zinc/62/35/37/676623537.db2.gz	KMZVDVLTJFYPFP-OLZOCXBDSA-N	1	0	351.472	1.654	20	30		FDEDRO
C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)C1	ZINC000329231200	676626932	/nfs/dbraw/zinc/62/69/32/676626932.db2.gz	KLNRDMVOAFPYPE-LVQVYYBASA-N	1	0	353.463	1.222	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C	ZINC000329244710	676628236	/nfs/dbraw/zinc/62/82/36/676628236.db2.gz	USSDTAGKJZECCC-SQWLQELKSA-N	1	0	353.511	1.660	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)O1	ZINC000329364166	676635419	/nfs/dbraw/zinc/63/54/19/676635419.db2.gz	HVGUBGLVUSVMTM-OAGGEKHMSA-N	1	0	353.463	1.222	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)N3CC[C@H](O)C(C)(C)C3)CC2)CC1	ZINC000329414839	676637808	/nfs/dbraw/zinc/63/78/08/676637808.db2.gz	FFDWRBIJCSHGRN-KRWDZBQOSA-N	1	0	352.523	1.552	20	30		FDEDRO
C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000329512627	676642049	/nfs/dbraw/zinc/64/20/49/676642049.db2.gz	NMJIWIAFZVOHIU-LSDHHAIUSA-N	1	0	357.520	1.326	20	30		FDEDRO
Cc1nnc(CCNC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)s1	ZINC000329629023	676646945	/nfs/dbraw/zinc/64/69/45/676646945.db2.gz	UVCOXKNRKIOWSN-LBPRGKRZSA-N	1	0	353.492	1.488	20	30		FDEDRO
C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CC[N@@H+]1C	ZINC000329717824	676651336	/nfs/dbraw/zinc/65/13/36/676651336.db2.gz	XZNJDPFDXKJSOW-RBSFLKMASA-N	1	0	372.535	1.272	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CS(=O)(=O)NC1CCC(C)CC1	ZINC000329805605	676657757	/nfs/dbraw/zinc/65/77/57/676657757.db2.gz	NEGFFPUAZPFJLK-NQKKVCCDSA-N	1	0	357.520	1.924	20	30		FDEDRO
Cc1nc(CCNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cs1	ZINC000329828279	676659662	/nfs/dbraw/zinc/65/96/62/676659662.db2.gz	JGRVXRYFTYNUSL-HNNXBMFYSA-N	1	0	365.503	1.146	20	30		FDEDRO
CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@@H]1CCCS(=O)(=O)C1	ZINC000329851835	676660538	/nfs/dbraw/zinc/66/05/38/676660538.db2.gz	RBOIIMUROONPNP-MRXNPFEDSA-N	1	0	367.515	1.978	20	30		FDEDRO
CCS(=O)(=O)N1CCC(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1	ZINC000329949612	676665126	/nfs/dbraw/zinc/66/51/26/676665126.db2.gz	LMUSPAAVFZKMBB-UHFFFAOYSA-N	1	0	357.520	1.879	20	30		FDEDRO
O=C(NCC1CC[NH+](Cc2cccs2)CC1)N[C@@H]1CC[S@@](=O)C1	ZINC000329984312	676667293	/nfs/dbraw/zinc/66/72/93/676667293.db2.gz	CDBACMQXGATXKV-FATZIPQQSA-N	1	0	355.529	1.985	20	30		FDEDRO
O=C(NC1CCN(Cc2ccncc2)CC1)[C@@H]1CCCCS1(=O)=O	ZINC000330018399	676668712	/nfs/dbraw/zinc/66/87/12/676668712.db2.gz	SRWDLHNYVRQILR-INIZCTEOSA-N	1	0	351.472	1.970	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)Nc2ccnn2C[C@H]2CCOC2)CCSC1	ZINC000330082480	676671730	/nfs/dbraw/zinc/67/17/30/676671730.db2.gz	QCHMVTQDUTUUPC-CJNGLKHVSA-N	1	0	353.492	1.683	20	30		FDEDRO
CC(C)(CNC(=O)N1CCC(N2CCNC2=O)CC1)C[NH+]1CCCC1	ZINC000330114283	676673313	/nfs/dbraw/zinc/67/33/13/676673313.db2.gz	SRYAFQHEIXMRQH-UHFFFAOYSA-N	1	0	351.495	1.716	20	30		FDEDRO
Cn1nccc1C1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1	ZINC000330141110	676674965	/nfs/dbraw/zinc/67/49/65/676674965.db2.gz	JNCOLIIRNNDZQH-QGZVFWFLSA-N	1	0	351.520	1.951	20	30		FDEDRO
CS(=O)(=O)C[C@@H]1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1	ZINC000330176205	676676615	/nfs/dbraw/zinc/67/66/15/676676615.db2.gz	CBPBCDUSSBMTMR-CQSZACIVSA-N	1	0	357.520	1.674	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)CCSC1	ZINC000330212183	676678789	/nfs/dbraw/zinc/67/87/89/676678789.db2.gz	JWOVWRUGUYIMDY-KBMXLJTQSA-N	1	0	359.561	1.982	20	30		FDEDRO
C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CCOC3(CCOCC3)C2)CC1=O	ZINC000330334249	676684476	/nfs/dbraw/zinc/68/44/76/676684476.db2.gz	YPGXAYAABFTMNK-HUUCEWRRSA-N	1	0	353.463	1.081	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000330376650	676686561	/nfs/dbraw/zinc/68/65/61/676686561.db2.gz	PCTMIIDHQQCSMP-AEFFLSMTSA-N	1	0	364.515	1.967	20	30		FDEDRO
C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CC[C@@H](C2CCOCC2)C1	ZINC000330447176	676691158	/nfs/dbraw/zinc/69/11/58/676691158.db2.gz	HUUGQVWCVCNZCP-ZYHUDNBSSA-N	1	0	351.369	1.716	20	30		FDEDRO
CS[C@@H]1CN(CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@@H]1[NH+](C)C	ZINC000330501507	676694212	/nfs/dbraw/zinc/69/42/12/676694212.db2.gz	AILLUVUKAXLYQN-LJISPDSOSA-N	1	0	356.536	1.573	20	30		FDEDRO
CS[C@H]1CN(C(=O)Nc2cnn(CC(F)(F)F)c2)C[C@H]1[NH+](C)C	ZINC000330703317	676701550	/nfs/dbraw/zinc/70/15/50/676701550.db2.gz	IXMQIVRCTXOSMU-MNOVXSKESA-N	1	0	351.398	1.968	20	30		FDEDRO
CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCc1cccc(NS(C)(=O)=O)c1	ZINC000330793898	676704208	/nfs/dbraw/zinc/70/42/08/676704208.db2.gz	CSIQPNXHZPKMSA-HNNXBMFYSA-N	1	0	368.503	1.746	20	30		FDEDRO
CNS(=O)(=O)c1cccc(NC(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c1	ZINC000330836188	676705787	/nfs/dbraw/zinc/70/57/87/676705787.db2.gz	WWIWZSYKPXVUAS-KBPBESRZSA-N	1	0	372.516	1.118	20	30		FDEDRO
CCNC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1	ZINC000331040173	676714893	/nfs/dbraw/zinc/71/48/93/676714893.db2.gz	CLUFOMSSRVPFJF-AWEZNQCLSA-N	1	0	354.476	1.035	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1	ZINC000331248856	676723913	/nfs/dbraw/zinc/72/39/13/676723913.db2.gz	UUJAHIKLBOGFCZ-SCLBCKFNSA-N	1	0	350.463	1.314	20	30		FDEDRO
CNS(=O)(=O)c1ccc(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)cn1	ZINC000331287297	676725653	/nfs/dbraw/zinc/72/56/53/676725653.db2.gz	HRTSJSZASSTHJY-UHFFFAOYSA-N	1	0	354.476	1.416	20	30		FDEDRO
CO[C@]1(C)CCC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1	ZINC000332349496	676740924	/nfs/dbraw/zinc/74/09/24/676740924.db2.gz	VEOUREWHDWJELY-PKOBYXMFSA-N	1	0	350.507	1.570	20	30		FDEDRO
CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)CC2(C#N)CCCCC2)CC1	ZINC000332623199	676743467	/nfs/dbraw/zinc/74/34/67/676743467.db2.gz	UCJGCVLDOWVBDY-INIZCTEOSA-N	1	0	357.520	1.473	20	30		FDEDRO
N#Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO	ZINC000360700925	676872825	/nfs/dbraw/zinc/87/28/25/676872825.db2.gz	VHEUVNKPDDDMDV-CVEARBPZSA-N	1	0	367.446	1.307	20	30		FDEDRO
C=CCNc1ncc(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)s1	ZINC000363706341	676969754	/nfs/dbraw/zinc/96/97/54/676969754.db2.gz	BEOILVPOBMKQAI-QLFBSQMISA-N	1	0	364.515	2.360	20	30		FDEDRO
C#CCSCCNC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1	ZINC000363987793	676983336	/nfs/dbraw/zinc/98/33/36/676983336.db2.gz	RJEHFKWWSFVWEE-UHFFFAOYSA-N	1	0	352.548	1.412	20	30		FDEDRO
CN1CCC[C@@]2(CC[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)C1=O	ZINC000364610450	677035168	/nfs/dbraw/zinc/03/51/68/677035168.db2.gz	JWSGMPRGYNTKRN-KSSFIOAISA-N	1	0	358.467	1.669	20	30		FDEDRO
C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCC(C)(C)CC#N)C1	ZINC000422267721	680702739	/nfs/dbraw/zinc/70/27/39/680702739.db2.gz	YDPODGWCPZSNAX-GJZGRUSLSA-N	1	0	350.507	1.915	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2ccc(C#N)s2)CC1	ZINC000422218501	680698075	/nfs/dbraw/zinc/69/80/75/680698075.db2.gz	MOTSMYUIXWAZGU-UHFFFAOYSA-N	1	0	363.487	1.315	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000367163238	677489754	/nfs/dbraw/zinc/48/97/54/677489754.db2.gz	AWRMRNIFYJWCMU-WMZOPIPTSA-N	1	0	364.515	1.967	20	30		FDEDRO
C[NH+]1CCN([C@H]2CCCCN(S(=O)(=O)CCC(C)(C)C#N)C2)CC1	ZINC000368134813	677497801	/nfs/dbraw/zinc/49/78/01/677497801.db2.gz	ZLPCYXQWQXVVJR-INIZCTEOSA-N	1	0	356.536	1.358	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)N1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1	ZINC000369004017	677502687	/nfs/dbraw/zinc/50/26/87/677502687.db2.gz	VVURULQGRXXRKQ-RDJZCZTQSA-N	1	0	371.547	1.041	20	30		FDEDRO
CN1C[C@H]2C[N@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CCN2C1=O	ZINC000373236029	678049496	/nfs/dbraw/zinc/04/94/96/678049496.db2.gz	GDJPNGOGXSIYIP-AWEZNQCLSA-N	1	0	361.833	1.592	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1	ZINC000373998151	678070281	/nfs/dbraw/zinc/07/02/81/678070281.db2.gz	LEBOMVHDNSWZAG-DLBZAZTESA-N	1	0	350.507	1.831	20	30		FDEDRO
Cc1ccccc1C[N@H+]1CCCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1	ZINC000374449798	678081349	/nfs/dbraw/zinc/08/13/49/678081349.db2.gz	PQJXEDZHFCAZEY-INIZCTEOSA-N	1	0	364.515	1.839	20	30		FDEDRO
C[C@H]1CCOCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000376151770	678232375	/nfs/dbraw/zinc/23/23/75/678232375.db2.gz	PUIFFVCQPDRWEA-HOTGVXAUSA-N	1	0	362.499	1.568	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C	ZINC000376435438	678304869	/nfs/dbraw/zinc/30/48/69/678304869.db2.gz	OFBDTKOYFNUDBI-IYHXRUFHSA-N	1	0	351.491	1.415	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1	ZINC000376739818	678369849	/nfs/dbraw/zinc/36/98/49/678369849.db2.gz	MSUPQEYAJOCOHZ-MRXNPFEDSA-N	1	0	358.508	1.044	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1	ZINC000423025998	680772920	/nfs/dbraw/zinc/77/29/20/680772920.db2.gz	PQOWXDRDGMXTIK-STQMWFEESA-N	1	0	367.902	1.984	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)cc1F	ZINC000377277790	678503649	/nfs/dbraw/zinc/50/36/49/678503649.db2.gz	NKQBIVPRUQCSKN-MRXNPFEDSA-N	1	0	351.447	1.438	20	30		FDEDRO
C=CCn1c(SCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)nnc1-c1cnccn1	ZINC000378618459	678764907	/nfs/dbraw/zinc/76/49/07/678764907.db2.gz	CRBJLRJAZILTHG-OKILXGFUSA-N	1	0	358.471	1.876	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N(CC[NH+](C)C)Cc1ccccc1	ZINC000409532996	678854697	/nfs/dbraw/zinc/85/46/97/678854697.db2.gz	YWIWQLYLYFYHJV-MRXNPFEDSA-N	1	0	352.504	1.777	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1	ZINC000410912181	678965720	/nfs/dbraw/zinc/96/57/20/678965720.db2.gz	SUQMMZCEVDFCTP-UHFFFAOYSA-N	1	0	351.491	1.370	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C[NH3+])C2CCCC2)c1	ZINC000423937171	680822231	/nfs/dbraw/zinc/82/22/31/680822231.db2.gz	FZNPOCRETPUEHD-INIZCTEOSA-N	1	0	351.472	1.398	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1	ZINC000414897551	679373334	/nfs/dbraw/zinc/37/33/34/679373334.db2.gz	RNSNFEYJEBPRMD-BBRMVZONSA-N	1	0	366.487	1.613	20	30		FDEDRO
C[NH2+][C@@H]1CCN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C1	ZINC000414905509	679373622	/nfs/dbraw/zinc/37/36/22/679373622.db2.gz	AYKXYRRAPBYRNR-CYBMUJFWSA-N	1	0	374.495	2.528	20	30		FDEDRO
C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1	ZINC000415468297	679435372	/nfs/dbraw/zinc/43/53/72/679435372.db2.gz	WBZBXQKFRQLFAY-SMDDNHRTSA-N	1	0	358.833	2.517	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)N[C@@H]1C[NH2+]CCC1(F)F	ZINC000415469103	679435632	/nfs/dbraw/zinc/43/56/32/679435632.db2.gz	KZIORDNBGXTEEG-CQSZACIVSA-N	1	0	354.357	1.702	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)C(=O)NCC1C[NH2+]C1	ZINC000415530752	679445779	/nfs/dbraw/zinc/44/57/79/679445779.db2.gz	DFVMBRPEZCVYGR-UHFFFAOYSA-N	1	0	368.231	1.288	20	30		FDEDRO
N#CCc1ccc(NC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)c(Cl)c1	ZINC000415560793	679452008	/nfs/dbraw/zinc/45/20/08/679452008.db2.gz	VOJAQVZDYGSJNO-UHFFFAOYSA-N	1	0	360.845	1.947	20	30		FDEDRO
C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000415564023	679453003	/nfs/dbraw/zinc/45/30/03/679453003.db2.gz	NXHJZYLUUAADAH-VHSXEESVSA-N	1	0	365.231	1.468	20	30		FDEDRO
C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1	ZINC000415693193	679480904	/nfs/dbraw/zinc/48/09/04/679480904.db2.gz	PJMAIBJGMYUSQN-INIZCTEOSA-N	1	0	352.341	1.295	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)c1	ZINC000415869429	679530665	/nfs/dbraw/zinc/53/06/65/679530665.db2.gz	NENJAQBJHQHPCF-NSHDSACASA-N	1	0	352.341	1.356	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)C(=O)N(C)CC[NH3+]	ZINC000415877953	679532466	/nfs/dbraw/zinc/53/24/66/679532466.db2.gz	KKLFEJCJFFJKAC-UHFFFAOYSA-N	1	0	356.220	1.370	20	30		FDEDRO
C[C@@H](NS(=O)(=O)[C@H](C)C#N)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000416392063	679600898	/nfs/dbraw/zinc/60/08/98/679600898.db2.gz	UEKXDDKBCFDJNC-CHWSQXEVSA-N	1	0	354.451	1.470	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000416490217	679638147	/nfs/dbraw/zinc/63/81/47/679638147.db2.gz	UTEPRHQBBQJGRR-FUHWJXTLSA-N	1	0	362.499	1.120	20	30		FDEDRO
C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCCCN1CC[NH2+]CC1	ZINC000418303010	680042630	/nfs/dbraw/zinc/04/26/30/680042630.db2.gz	UMDURUAWDAFXDD-UHFFFAOYSA-N	1	0	350.463	1.155	20	30		FDEDRO
C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCSCc1ccccc1C#N	ZINC000418920947	680153394	/nfs/dbraw/zinc/15/33/94/680153394.db2.gz	LEXUCKGDGPPUPE-BBRMVZONSA-N	1	0	360.483	1.022	20	30		FDEDRO
C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCSCc1ccccc1C#N	ZINC000418923811	680154362	/nfs/dbraw/zinc/15/43/62/680154362.db2.gz	OGUUSXVWAJGPCK-INIZCTEOSA-N	1	0	360.483	1.118	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1	ZINC000418927761	680154695	/nfs/dbraw/zinc/15/46/95/680154695.db2.gz	UALLUEZATNRWAW-INIZCTEOSA-N	1	0	360.483	1.166	20	30		FDEDRO
C[C@@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1cccc(Br)c1C#N	ZINC000420421709	680444986	/nfs/dbraw/zinc/44/49/86/680444986.db2.gz	FTMDHBRLVVXKFL-JOYOIKCWSA-N	1	0	358.261	1.740	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)NC[C@H]1CCC[NH2+]C1	ZINC000420422469	680445364	/nfs/dbraw/zinc/44/53/64/680445364.db2.gz	PWEXMROHYOIQGK-JTQLQIEISA-N	1	0	358.261	1.599	20	30		FDEDRO
C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)CC[NH2+]1	ZINC000420430780	680447038	/nfs/dbraw/zinc/44/70/38/680447038.db2.gz	DTTCBPUAJINHIR-KOLCDFICSA-N	1	0	358.261	1.740	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCCO[C@@H](C[NH3+])C2)cc1C(F)(F)F	ZINC000420474844	680467605	/nfs/dbraw/zinc/46/76/05/680467605.db2.gz	ZAAJVYAVQGRUJI-NSHDSACASA-N	1	0	363.361	1.315	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCC(=O)N(C)C1=O)C(C)C	ZINC000425613372	680912837	/nfs/dbraw/zinc/91/28/37/680912837.db2.gz	WFAHHGHGSOMNQQ-LSDHHAIUSA-N	1	0	350.463	1.132	20	30		FDEDRO
C=CCn1cc(CNC(=O)N2CC[N@H+](CCOC)[C@H](CCC)C2)nn1	ZINC000425872328	680938067	/nfs/dbraw/zinc/93/80/67/680938067.db2.gz	JKZITIUVHNWJFS-MRXNPFEDSA-N	1	0	350.467	1.106	20	30		FDEDRO
C=CCOc1ccc(C[NH2+]CCNS(=O)(=O)NC(C)C)cc1Cl	ZINC000428558123	681006637	/nfs/dbraw/zinc/00/66/37/681006637.db2.gz	GIFZRONFGNTMCV-UHFFFAOYSA-N	1	0	361.895	1.827	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](CCO)[C@H]2CC[C@@H](C)C2)CC1	ZINC000429769855	681047079	/nfs/dbraw/zinc/04/70/79/681047079.db2.gz	JELPGYJKXZSWPK-FGTMMUONSA-N	1	0	350.507	1.162	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1	ZINC000430397453	681075190	/nfs/dbraw/zinc/07/51/90/681075190.db2.gz	VYPMHIMXXHQJMB-IRXDYDNUSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)CC(=O)N1CC[NH2+]CC1	ZINC000430617476	681086720	/nfs/dbraw/zinc/08/67/20/681086720.db2.gz	NAEWXYSEKWPSGR-HNNXBMFYSA-N	1	0	364.515	1.015	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNS(=O)(=O)CC2(C#N)CCCCC2)CCCO1	ZINC000432335868	681153445	/nfs/dbraw/zinc/15/34/45/681153445.db2.gz	MVOCOXMJMQZRLN-MRXNPFEDSA-N	1	0	357.520	1.881	20	30		FDEDRO
Cn1cc(S(=O)(=O)NCC[NH2+][C@@H](CCCC#N)c2ccccc2)cn1	ZINC000433007954	681170864	/nfs/dbraw/zinc/17/08/64/681170864.db2.gz	BRAXIMHXDLFOHO-KRWDZBQOSA-N	1	0	361.471	1.723	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1	ZINC000437776605	681812858	/nfs/dbraw/zinc/81/28/58/681812858.db2.gz	PTLPTYAMRXEQFM-BZSNNMDCSA-N	1	0	352.523	1.540	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)CN1CCOCC1	ZINC000443657505	682328917	/nfs/dbraw/zinc/32/89/17/682328917.db2.gz	MMORGTHVMDBKQL-APWZRJJASA-N	1	0	352.523	1.720	20	30		FDEDRO
Cc1cc(S(=O)(=O)N2CCC(OCC[NH+](C)C)CC2)ccc1C#N	ZINC000443912200	682361578	/nfs/dbraw/zinc/36/15/78/682361578.db2.gz	YJRJYQKASSWOBB-UHFFFAOYSA-N	1	0	351.472	1.598	20	30		FDEDRO
Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]Cc1ccc(C#N)c(C)c1	ZINC000446762201	682512526	/nfs/dbraw/zinc/51/25/26/682512526.db2.gz	NPONKJVITKNCNH-UHFFFAOYSA-N	1	0	366.468	1.405	20	30		FDEDRO
CN(CC[N@H+](C)Cc1cccc(C#N)c1)c1ccc(S(N)(=O)=O)cc1	ZINC000449419869	682680961	/nfs/dbraw/zinc/68/09/61/682680961.db2.gz	COUPYYXRJYAWSW-UHFFFAOYSA-N	1	0	358.467	1.774	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(CC#N)cc1Cl	ZINC000451166770	682833059	/nfs/dbraw/zinc/83/30/59/682833059.db2.gz	UILOJDHHOOSBLD-CQSZACIVSA-N	1	0	371.890	1.795	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@@H](CO)CC(C)(C)C)CC1	ZINC000451794749	682939714	/nfs/dbraw/zinc/93/97/14/682939714.db2.gz	YDVQXNHDLOUFSS-SJORKVTESA-N	1	0	352.523	1.408	20	30		FDEDRO
CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2cc(C#N)ccc2C)CC1	ZINC000452042809	683009810	/nfs/dbraw/zinc/00/98/10/683009810.db2.gz	AARQRBBQUFXCOT-UHFFFAOYSA-N	1	0	364.515	1.561	20	30		FDEDRO
C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1cccc(C#N)c1Br	ZINC000452357834	683058151	/nfs/dbraw/zinc/05/81/51/683058151.db2.gz	RUTSKEFHUVXOHW-BXUZGUMPSA-N	1	0	366.259	1.848	20	30		FDEDRO
C[NH+](C)CC1(CNC(=O)C(=O)Nc2cnc(C#N)c(Cl)c2)CCCC1	ZINC000453684809	683185605	/nfs/dbraw/zinc/18/56/05/683185605.db2.gz	FBVXPHLHNROMAB-UHFFFAOYSA-N	1	0	363.849	1.783	20	30		FDEDRO
CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000453740954	683202371	/nfs/dbraw/zinc/20/23/71/683202371.db2.gz	TXJVEOCMYZLBHT-UHFFFAOYSA-N	1	0	351.838	1.735	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@](COC)(C(=O)OC)C2)CC1	ZINC000454470949	683320533	/nfs/dbraw/zinc/32/05/33/683320533.db2.gz	XOTLELLFOHHBDG-SFHVURJKSA-N	1	0	353.463	1.248	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1	ZINC000458165637	683834815	/nfs/dbraw/zinc/83/48/15/683834815.db2.gz	BTCXJQACSKQKQM-HNNXBMFYSA-N	1	0	365.499	1.613	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NC(C)(C)CN1CC[NH+](CC)CC1	ZINC000458725131	684312021	/nfs/dbraw/zinc/31/20/21/684312021.db2.gz	FXRPBSCCMNOLRE-DLBZAZTESA-N	1	0	352.523	1.683	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1	ZINC000459825863	684464072	/nfs/dbraw/zinc/46/40/72/684464072.db2.gz	VSGXKEFIFYOHIF-UHFFFAOYSA-N	1	0	351.491	1.514	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)NCCCC[N@@H+]1CCC[C@@H]1CO	ZINC000464415468	684742692	/nfs/dbraw/zinc/74/26/92/684742692.db2.gz	XFEJOYVGCVGZNP-OAHLLOKOSA-N	1	0	367.471	1.082	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)C(=O)NC2(C#N)CCC2)[C@H](C)C1	ZINC000469793324	684986451	/nfs/dbraw/zinc/98/64/51/684986451.db2.gz	CXOWDEPZVBZNLX-IKGGRYGDSA-N	1	0	350.507	1.664	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N(C)CCC[N@H+](C)Cc2ccco2)cc1C#N	ZINC000489849721	687117653	/nfs/dbraw/zinc/11/76/53/687117653.db2.gz	VOFGAJHLBYTQLI-UHFFFAOYSA-N	1	0	362.455	1.997	20	30		FDEDRO
CC(C)N1C(=O)C[C@@H]([NH2+]CC(=O)NCC#N)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000494214261	687506171	/nfs/dbraw/zinc/50/61/71/687506171.db2.gz	ZKZCHGLMSPKZCI-PBHICJAKSA-N	1	0	366.824	1.759	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(S(N)(=O)=O)s1)C(C)C	ZINC000498366069	687784284	/nfs/dbraw/zinc/78/42/84/687784284.db2.gz	HNLDVVSYRYIMND-ZDUSSCGKSA-N	1	0	371.528	1.824	20	30		FDEDRO
C[C@H]1CC[N@H+](C)CCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000498735392	687846388	/nfs/dbraw/zinc/84/63/88/687846388.db2.gz	CWYRUFYSJZTORV-AWEZNQCLSA-N	1	0	364.471	1.045	20	30		FDEDRO
CCC[C@@H]1CN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC[N@@H+]1CCOC	ZINC000501806555	688216213	/nfs/dbraw/zinc/21/62/13/688216213.db2.gz	RYONPXXVEGOGEP-YQVWRLOYSA-N	1	0	352.523	1.862	20	30		FDEDRO
C=CCn1c([C@H](C)OCCOC)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1	ZINC000508748852	688749835	/nfs/dbraw/zinc/74/98/35/688749835.db2.gz	SSPOKFIUGFXXGY-HOTGVXAUSA-N	1	0	351.495	1.965	20	30		FDEDRO
C[N@H+](CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)C1CC1	ZINC000515406293	689853971	/nfs/dbraw/zinc/85/39/71/689853971.db2.gz	KDURNFXLGOELAJ-UHFFFAOYSA-N	1	0	365.231	1.470	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Cc1cccc(NS(C)(=O)=O)c1	ZINC000519295770	690198457	/nfs/dbraw/zinc/19/84/57/690198457.db2.gz	LAFWBSCAAOFALB-UHFFFAOYSA-N	1	0	366.487	1.295	20	30		FDEDRO
COCCC1CC[NH+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1	ZINC000528576576	694735160	/nfs/dbraw/zinc/73/51/60/694735160.db2.gz	BBUWROCBTZDPNH-SFHVURJKSA-N	1	0	350.507	1.427	20	30		FDEDRO
N#Cc1nc(Cl)ccc1C(F)(F)N1CC(=O)NC2(CC[NH2+]CC2)C1	ZINC001164390909	718809259	/nfs/dbraw/zinc/80/92/59/718809259.db2.gz	SNZHHPVOBTVDOX-UHFFFAOYSA-N	1	0	355.776	1.210	20	30		FDEDRO
COc1cc(C(F)(F)N2CCN3CC[NH2+]C[C@H]3C2)c(C#N)c(Cl)n1	ZINC001164399389	718836161	/nfs/dbraw/zinc/83/61/61/718836161.db2.gz	VCLVPZHFMSBZSY-JTQLQIEISA-N	1	0	357.792	1.254	20	30		FDEDRO
CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)c(C#N)c1	ZINC001164617826	719014960	/nfs/dbraw/zinc/01/49/60/719014960.db2.gz	QAXLRDICHWGQRD-WXHSDQCUSA-N	1	0	370.787	1.881	20	30		FDEDRO
CC(C)[N@H+]1[C@@H]2CCN(c3nccnc3C#N)C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164834014	720509366	/nfs/dbraw/zinc/50/93/66/720509366.db2.gz	FDJPJDTUEHPUIV-XYJFISCASA-N	1	0	351.458	1.923	20	30		FDEDRO
COc1nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c(F)cc1C#N	ZINC001164742255	720752707	/nfs/dbraw/zinc/75/27/07/720752707.db2.gz	NTJGJBSBZJXKDS-UONOGXRCSA-N	1	0	370.388	1.233	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)cnc3C#N)CC[C@H]2C1	ZINC001164848777	720842075	/nfs/dbraw/zinc/84/20/75/720842075.db2.gz	AZYXKNAAKCVSHB-JSGCOSHPSA-N	1	0	351.838	1.175	20	30		FDEDRO
N#Cc1ccnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1F	ZINC001164864969	721088140	/nfs/dbraw/zinc/08/81/40/721088140.db2.gz	HUMLHJUPRLDUAK-IAGOWNOFSA-N	1	0	353.401	1.967	20	30		FDEDRO
Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)cnc4C#N)C[C@H]3C2)cn1	ZINC001164773614	721092624	/nfs/dbraw/zinc/09/26/24/721092624.db2.gz	XTZQOWJNLKQNDU-UONOGXRCSA-N	1	0	357.849	1.693	20	30		FDEDRO
Cc1cnc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c(C=NO)c1	ZINC001164761216	721177483	/nfs/dbraw/zinc/17/74/83/721177483.db2.gz	AEHGROXOXVLXJP-FUHWJXTLSA-N	1	0	354.458	1.890	20	30		FDEDRO
COc1nc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c(F)cc1C#N	ZINC001164763244	721186888	/nfs/dbraw/zinc/18/68/88/721186888.db2.gz	DXQFUQKHDSOXDJ-ZBFHGGJFSA-N	1	0	370.432	1.793	20	30		FDEDRO
Cc1cc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc(C#N)n1	ZINC001164888827	721417242	/nfs/dbraw/zinc/41/72/42/721417242.db2.gz	OSGUVCIIOQXSRX-XLIONFOSSA-N	1	0	370.501	1.422	20	30		FDEDRO
CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncc([N+](=O)[O-])cc2C#N)CC1	ZINC001165011561	721735845	/nfs/dbraw/zinc/73/58/45/721735845.db2.gz	QMAJIRKKULGKQV-UHFFFAOYSA-N	1	0	372.429	1.384	20	30		FDEDRO
N#Cc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cn1	ZINC001164982292	722104292	/nfs/dbraw/zinc/10/42/92/722104292.db2.gz	NDNNVVQNENDCNB-WMZOPIPTSA-N	1	0	350.426	1.471	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C)cc2F)C[C@H]1C	ZINC001104718714	790325046	/nfs/dbraw/zinc/32/50/46/790325046.db2.gz	KICFFYRHGVHLPR-HZPDHXFCSA-N	1	0	359.445	1.571	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NC[C@@H]2CCN2C(=O)OC(C)(C)C)C1	ZINC000924036419	769110438	/nfs/dbraw/zinc/11/04/38/769110438.db2.gz	MWQGQXJUXFAJTI-GJZGRUSLSA-N	1	0	350.463	1.393	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CCC(C)C)NC(C)=O)C1	ZINC001211495683	769880123	/nfs/dbraw/zinc/88/01/23/769880123.db2.gz	SOOFTHCLLNUMBQ-KBAYOESNSA-N	1	0	353.507	1.566	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnc3c(c1)nnn3C)C2	ZINC001112475698	769920439	/nfs/dbraw/zinc/92/04/39/769920439.db2.gz	SDMDIZBPCUHRKE-KXBFYZLASA-N	1	0	354.458	1.771	20	30		FDEDRO
C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@]1(C)CCc2ccccc2C1	ZINC001211499854	769953297	/nfs/dbraw/zinc/95/32/97/769953297.db2.gz	VACFPMXGWVSBOF-FQELHTAISA-N	1	0	368.481	1.258	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)CC(F)F)C2	ZINC001112477388	770087856	/nfs/dbraw/zinc/08/78/56/770087856.db2.gz	DHFWGCTWIMQWSH-GLJUWKHASA-N	1	0	355.429	1.245	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C#N)c2)C1	ZINC001022736321	782806074	/nfs/dbraw/zinc/80/60/74/782806074.db2.gz	RPYAVHDQEIDPGM-XDNAFOTISA-N	1	0	355.438	1.895	20	30		FDEDRO
C[C@H](CC(F)F)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1	ZINC001112478189	770152347	/nfs/dbraw/zinc/15/23/47/770152347.db2.gz	YTOKPROGAAYXQO-IGCXYCKISA-N	1	0	356.417	1.136	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(-c4ncon4)c3)[C@H]2C1	ZINC001083190718	770278197	/nfs/dbraw/zinc/27/81/97/770278197.db2.gz	XBPLKDJMOSUWGC-DLBZAZTESA-N	1	0	354.410	1.838	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nncn2-c2ccccc2)C1	ZINC001020604766	770982815	/nfs/dbraw/zinc/98/28/15/770982815.db2.gz	NDZMEYCKCMDAMT-AHCXZYCDSA-N	1	0	367.453	1.595	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CC[C@@H](C)C1	ZINC000970009115	771188560	/nfs/dbraw/zinc/18/85/60/771188560.db2.gz	PODIHNFQXBGLLT-SFFUCWETSA-N	1	0	361.486	1.121	20	30		FDEDRO
C=CCCC[N@@H+]1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1	ZINC001209160760	771204448	/nfs/dbraw/zinc/20/44/48/771204448.db2.gz	BNGTZKMZTSNLEM-UHFFFAOYSA-N	1	0	356.426	1.938	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cncc(OC)n2)C1	ZINC001020713901	771286750	/nfs/dbraw/zinc/28/67/50/771286750.db2.gz	HXLLLGSAFVXNOK-DNUAJFIVSA-N	1	0	360.458	1.593	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nccn2C(F)F)C1	ZINC001020728831	771309989	/nfs/dbraw/zinc/30/99/89/771309989.db2.gz	HBKCJQCQJQCTRY-ABHRYQDASA-N	1	0	354.401	1.996	20	30		FDEDRO
C#CCCCN1CCCn2c(=O)cc(CNC(=O)N3CCCC3)nc2C1	ZINC001209266895	771330669	/nfs/dbraw/zinc/33/06/69/771330669.db2.gz	FTZWFNIEIZPEKG-UHFFFAOYSA-N	1	0	357.458	1.168	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)c1	ZINC000120776012	771373486	/nfs/dbraw/zinc/37/34/86/771373486.db2.gz	PRTKIVUGXYONNG-UHFFFAOYSA-N	1	0	365.433	1.863	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1	ZINC000430398387	771781341	/nfs/dbraw/zinc/78/13/41/771781341.db2.gz	YANVLHACYXSPGT-BZSNNMDCSA-N	1	0	363.502	1.561	20	30		FDEDRO
COc1ccc(C[NH2+]CC2(CCNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)cc1C#N	ZINC001167244963	771797601	/nfs/dbraw/zinc/79/76/01/771797601.db2.gz	LJIQSVCINITGOB-CVEARBPZSA-N	1	0	370.453	1.064	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]CC1(CCNC(=O)[C@H]2OCC[C@H]2C)CC1	ZINC001167271582	771845111	/nfs/dbraw/zinc/84/51/11/771845111.db2.gz	ZCMPMQZOMVMEHB-AEFFLSMTSA-N	1	0	363.502	1.488	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]Cc2ccc(C(N)=O)cc2)CC1	ZINC001167274215	771850677	/nfs/dbraw/zinc/85/06/77/771850677.db2.gz	MNBAEUVSCYIIKP-MSOLQXFVSA-N	1	0	371.481	1.753	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]Cc2cc3n(n2)CCC3)CC1	ZINC001167277851	771856983	/nfs/dbraw/zinc/85/69/83/771856983.db2.gz	VLRDAILJNGWLLH-MSOLQXFVSA-N	1	0	358.486	1.797	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]Cc2cncc(OC)n2)CC1	ZINC001167277919	771857702	/nfs/dbraw/zinc/85/77/02/771857702.db2.gz	YLPKPNDXVXGGCT-CVEARBPZSA-N	1	0	360.458	1.452	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1=O	ZINC001167285104	771982096	/nfs/dbraw/zinc/98/20/96/771982096.db2.gz	HYHRFRIUGGBYAV-VQHPVUNQSA-N	1	0	361.486	1.217	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)c4cccn4C)[C@@H]3C2)CC1	ZINC001021095694	772133341	/nfs/dbraw/zinc/13/33/41/772133341.db2.gz	KPEGATCGAHFOSN-PKOBYXMFSA-N	1	0	368.481	1.043	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(C(N)=O)c2)C1	ZINC000970242432	772185853	/nfs/dbraw/zinc/18/58/53/772185853.db2.gz	YBZVTXYMEUBIAW-SQNIBIBYSA-N	1	0	357.454	1.457	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)[C@H](C)SC)[C@@H]3C2)CC1	ZINC001021143454	772259293	/nfs/dbraw/zinc/25/92/93/772259293.db2.gz	UFDGOUIMOBMBEW-BHYGNILZSA-N	1	0	363.527	1.142	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1	ZINC001021239823	772598680	/nfs/dbraw/zinc/59/86/80/772598680.db2.gz	DHRQLUXDDDNBLL-LZLYRXPVSA-N	1	0	356.470	1.441	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ncc(C)cc1C)C2	ZINC001112484374	772628035	/nfs/dbraw/zinc/62/80/35/772628035.db2.gz	MNJMVIFNWINLJQ-UWJYYQICSA-N	1	0	370.497	1.833	20	30		FDEDRO
C[C@@H](CNC(=O)[C@H]1CN(C)C[C@@H](C)O1)CNc1nc(C#N)c(Cl)s1	ZINC001104269717	772662516	/nfs/dbraw/zinc/66/25/16/772662516.db2.gz	DQPSVJWZORWSCU-HOSYDEDBSA-N	1	0	371.894	1.551	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)CCC4CC4)[C@@H]3C2)CC1	ZINC001021257328	772664219	/nfs/dbraw/zinc/66/42/19/772664219.db2.gz	BEZWBDIXLHFQKO-RBUKOAKNSA-N	1	0	357.498	1.581	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cn(-c3cccnc3)nn2)C[C@H]1C	ZINC001104270843	772670406	/nfs/dbraw/zinc/67/04/06/772670406.db2.gz	TZFDQPKCKNCYRU-HZPDHXFCSA-N	1	0	352.442	1.373	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2[nH]ccc2C2CC2)C[C@H]1C	ZINC001104278422	772738301	/nfs/dbraw/zinc/73/83/01/772738301.db2.gz	WRKXTYDVWXYYIB-HLLBOEOZSA-N	1	0	370.497	1.718	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCOCCOC)C2)CCC1	ZINC001104279535	772755204	/nfs/dbraw/zinc/75/52/04/772755204.db2.gz	DEQGJCCJIBNIAJ-QZTJIDSGSA-N	1	0	350.503	1.917	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C[C@H](O)Cn2cccn2)C1	ZINC001211549350	783044032	/nfs/dbraw/zinc/04/40/32/783044032.db2.gz	GGWRLQAZBIKRJY-SLFFLAALSA-N	1	0	368.481	1.794	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1	ZINC000275690947	773200134	/nfs/dbraw/zinc/20/01/34/773200134.db2.gz	IKKVXTTVVOUSEN-FQEVSTJZSA-N	1	0	361.486	1.823	20	30		FDEDRO
CC(C)(C(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1)[NH+]1CCCC1	ZINC001021426780	773304323	/nfs/dbraw/zinc/30/43/23/773304323.db2.gz	ZYBSCTBBVHUZTC-WMLDXEAASA-N	1	0	369.469	1.434	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(-n3cnnn3)cn1)C2	ZINC001112489106	773355028	/nfs/dbraw/zinc/35/50/28/773355028.db2.gz	LQDVFWDEMDBTMM-KSSFIOAISA-N	1	0	353.430	1.075	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(CCF)CC1)C2	ZINC001112491031	773524161	/nfs/dbraw/zinc/52/41/61/773524161.db2.gz	BLHOMTLTHCJXGN-FTRWYGJKSA-N	1	0	363.477	1.482	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1coc(C(N)=O)c1)C2	ZINC001112491379	773524768	/nfs/dbraw/zinc/52/47/68/773524768.db2.gz	TUGOQNNNOWTRAU-KXBFYZLASA-N	1	0	361.442	1.413	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](CCC)S(N)(=O)=O)C2	ZINC001112492596	773699948	/nfs/dbraw/zinc/69/99/48/773699948.db2.gz	DUGJHJBKXDPCRM-BQFCYCMXSA-N	1	0	371.547	1.628	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(=O)c(OC)c[nH]2)C[C@H]1C	ZINC001104420572	783117705	/nfs/dbraw/zinc/11/77/05/783117705.db2.gz	WQQVFUBFTSKAHE-DGCLKSJQSA-N	1	0	353.850	1.824	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3c(c2)OCC(=O)N3)C[C@H]1C	ZINC001104294370	773885361	/nfs/dbraw/zinc/88/53/61/773885361.db2.gz	LWXHVNAGVSPBKU-GDBMZVCRSA-N	1	0	355.438	1.729	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c[nH]nc1[C@H]1CCOC1)C2	ZINC001112493928	773928888	/nfs/dbraw/zinc/92/88/88/773928888.db2.gz	IUJZOHFUXRDCMF-FTRWYGJKSA-N	1	0	356.470	1.769	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C[C@H]21	ZINC001021590527	774117339	/nfs/dbraw/zinc/11/73/39/774117339.db2.gz	GKDRCURFWXPGOC-YSIASYRMSA-N	1	0	369.509	1.866	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1	ZINC001021591458	774124498	/nfs/dbraw/zinc/12/44/98/774124498.db2.gz	SMOAIPAREZOWMT-GBESFXJTSA-N	1	0	357.498	1.722	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C3CC3)CCC1)C2	ZINC001112496317	774330264	/nfs/dbraw/zinc/33/02/64/774330264.db2.gz	QTJOQHZDHXBMPV-MDKPJZGXSA-N	1	0	371.525	1.923	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1	ZINC000275886421	774356213	/nfs/dbraw/zinc/35/62/13/774356213.db2.gz	LXUBEZCAKOSICR-MSOLQXFVSA-N	1	0	355.438	1.100	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(F)c1	ZINC000275898313	774409684	/nfs/dbraw/zinc/40/96/84/774409684.db2.gz	OLMXQIPUNNJAFV-IRXDYDNUSA-N	1	0	374.416	1.130	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCC(C)C)C1	ZINC001104305994	774438098	/nfs/dbraw/zinc/43/80/98/774438098.db2.gz	FHAHIQFEAMWZRL-AQNXPRMDSA-N	1	0	363.546	1.831	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2c[nH]c(C)n2)C1=O	ZINC001087136243	774681691	/nfs/dbraw/zinc/68/16/91/774681691.db2.gz	OWCMPHCZFPVWMH-KBMXLJTQSA-N	1	0	359.474	1.335	20	30		FDEDRO
C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2cccc(OCC#N)c2)C1	ZINC000785026514	774707092	/nfs/dbraw/zinc/70/70/92/774707092.db2.gz	FPWWEBZBLVAFFQ-PBHICJAKSA-N	1	0	356.426	1.470	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2nccnc2N)[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001087137739	774758742	/nfs/dbraw/zinc/75/87/42/774758742.db2.gz	DOWYIKWPJVOJTD-PBHICJAKSA-N	1	0	364.453	1.961	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3cccn3CC)[C@@H]2C1	ZINC001021719249	774835847	/nfs/dbraw/zinc/83/58/47/774835847.db2.gz	CZXYXSIMQQQXOE-JENIJYKNSA-N	1	0	368.481	1.279	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1(C[NH2+]Cc2cnns2)CC1	ZINC001167435201	774841362	/nfs/dbraw/zinc/84/13/62/774841362.db2.gz	NLYYYBMJOIWPER-GJZGRUSLSA-N	1	0	350.488	1.895	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCc3ccc(C#N)cc32)[C@@H](C)C1	ZINC000275987774	774859790	/nfs/dbraw/zinc/85/97/90/774859790.db2.gz	IDTDTJOSAWPBND-YOEHRIQHSA-N	1	0	354.454	1.636	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000656356132	775129754	/nfs/dbraw/zinc/12/97/54/775129754.db2.gz	QSKNRCQITCHSOL-QZTJIDSGSA-N	1	0	359.470	1.970	20	30		FDEDRO
COc1nccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cc(C#N)c[nH]2)n1	ZINC001087143921	775220611	/nfs/dbraw/zinc/22/06/11/775220611.db2.gz	RLUBCFIJHWLGRS-CJNGLKHVSA-N	1	0	368.441	1.715	20	30		FDEDRO
CC(C)N1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cc(C#N)c[nH]2)C1=O	ZINC001087144070	775228598	/nfs/dbraw/zinc/22/85/98/775228598.db2.gz	XNHMBLSCLWPOQQ-HYVNUMGLSA-N	1	0	371.485	1.726	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2ncn(-c3ccccc3)n2)C[C@H]1C	ZINC001104332621	775453832	/nfs/dbraw/zinc/45/38/32/775453832.db2.gz	NYPHTPZSYGFKBZ-IAGOWNOFSA-N	1	0	351.454	1.978	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCCN(C(=O)CCC)C3)[C@H]2C1	ZINC001083281937	790390830	/nfs/dbraw/zinc/39/08/30/790390830.db2.gz	IDLKQNOPZQVBNP-OKZBNKHCSA-N	1	0	363.502	1.513	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC(N)=O)C1	ZINC001104731338	790391598	/nfs/dbraw/zinc/39/15/98/790391598.db2.gz	CVPAJGDSRGJGDQ-MGPQQGTHSA-N	1	0	352.479	1.246	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cn(C)cn2)C1=O	ZINC001087149653	775936005	/nfs/dbraw/zinc/93/60/05/775936005.db2.gz	XSQMNTMYSDOTGQ-OWCLPIDISA-N	1	0	359.474	1.037	20	30		FDEDRO
CC(C)N1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2ccc(C#N)[nH]2)C1=O	ZINC001087151020	775994770	/nfs/dbraw/zinc/99/47/70/775994770.db2.gz	UEAMRFAQGTVNJQ-PVAVHDDUSA-N	1	0	371.485	1.726	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H](C[NH2+]C[C@@H]2CCc3ncnn32)C1	ZINC001087151097	775994798	/nfs/dbraw/zinc/99/47/98/775994798.db2.gz	WNJBSDOACAPPGL-KBMXLJTQSA-N	1	0	367.457	1.496	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)CC4CCCC4)C[C@H]32)CC1	ZINC001021883206	776481735	/nfs/dbraw/zinc/48/17/35/776481735.db2.gz	ATELBPIUOFRIGZ-VQTJNVASSA-N	1	0	371.525	1.971	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C4=COCCC4)C[C@H]32)CC1	ZINC001021883536	776484309	/nfs/dbraw/zinc/48/43/09/776484309.db2.gz	HUQLOUFIQVJHCY-PKOBYXMFSA-N	1	0	371.481	1.085	20	30		FDEDRO
N#Cc1cc(C(=O)N2C[C@@H]3CCN(C(=O)CC[NH+]4CCCCC4)[C@@H]3C2)c[nH]1	ZINC001021884428	776499594	/nfs/dbraw/zinc/49/95/94/776499594.db2.gz	YPTPVJXTBIVKOB-MAUKXSAKSA-N	1	0	369.469	1.435	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@H]4CCC4(C)C)C[C@H]32)CC1	ZINC001021884408	776499816	/nfs/dbraw/zinc/49/98/16/776499816.db2.gz	YKJFETOODHGCQX-IPMKNSEASA-N	1	0	371.525	1.827	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)Cc2ccc(C(N)=O)nc2)C[C@H]1C	ZINC001104352234	776605556	/nfs/dbraw/zinc/60/55/56/776605556.db2.gz	LDIOSDCLXBKOBE-NVXWUHKLSA-N	1	0	358.486	1.763	20	30		FDEDRO
CC(=O)N1CCCN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1	ZINC000328779760	776739267	/nfs/dbraw/zinc/73/92/67/776739267.db2.gz	FBKWZWUHXOWQGJ-UHFFFAOYSA-N	1	0	359.474	1.514	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3CCN(C(=O)C[N@@H+](C)C4CCC4)[C@@H]3C2)c1	ZINC001021941150	776755046	/nfs/dbraw/zinc/75/50/46/776755046.db2.gz	GRQMRLNSAGZFFU-QFBILLFUSA-N	1	0	366.465	1.220	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c[nH]nc1C)C2	ZINC001112505397	776977242	/nfs/dbraw/zinc/97/72/42/776977242.db2.gz	MMGUKZPDJRRNAK-DOXZYTNZSA-N	1	0	359.474	1.241	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)CS(=O)(=O)C2CCCC2)C[C@H]1C	ZINC001104357542	777057275	/nfs/dbraw/zinc/05/72/75/777057275.db2.gz	JQYAOGQWOOWUSS-HZPDHXFCSA-N	1	0	354.516	1.441	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2ccc(CC)cc2)C[C@H]1C	ZINC001104738507	790512647	/nfs/dbraw/zinc/51/26/47/790512647.db2.gz	YMGRSZIDZJZAEV-YLJYHZDGSA-N	1	0	369.509	1.615	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H]2CCC(=O)N2C)C1	ZINC001075422162	777264636	/nfs/dbraw/zinc/26/46/36/777264636.db2.gz	OFSXCAMPWUJXQY-QRQLOZEOSA-N	1	0	371.456	1.601	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CC(C)(C)O)C1=O	ZINC001087158686	777277044	/nfs/dbraw/zinc/27/70/44/777277044.db2.gz	QAJAOHFUOGALSW-OWCLPIDISA-N	1	0	351.491	1.151	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001087160196	777637421	/nfs/dbraw/zinc/63/74/21/777637421.db2.gz	YUINOXWYVGTFJI-XOKHGSTOSA-N	1	0	356.426	1.383	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CCC(=O)N1C)C2	ZINC001112506573	777822880	/nfs/dbraw/zinc/82/28/80/777822880.db2.gz	SYTNBKJWGFFVSJ-DAYGRLMNSA-N	1	0	353.894	1.968	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc(C3CC3)n2C)C1	ZINC001022099638	777926986	/nfs/dbraw/zinc/92/69/86/777926986.db2.gz	LKRQMOMUWBHPRQ-QXSJWSMHSA-N	1	0	359.474	1.411	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)C1	ZINC001022101724	777930348	/nfs/dbraw/zinc/93/03/48/777930348.db2.gz	QHIOPHWTMUMPDW-PEZLKRJXSA-N	1	0	361.486	1.358	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2ncn(C)n2)[C@H](C[NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC001087162108	778001342	/nfs/dbraw/zinc/00/13/42/778001342.db2.gz	PHQRFTTZEIBCTK-CJNGLKHVSA-N	1	0	370.432	1.856	20	30		FDEDRO
COc1ccc(C[C@@](C)(CO)[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)cc1	ZINC000933430293	778109681	/nfs/dbraw/zinc/10/96/81/778109681.db2.gz	MRRAVVVBLKOQKI-HKUYNNGSSA-N	1	0	362.470	1.650	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N3CCCCC[C@H]([NH3+])C3)CC2)nc1	ZINC000891499904	778150784	/nfs/dbraw/zinc/15/07/84/778150784.db2.gz	SPHVCDOSAGXGFM-INIZCTEOSA-N	1	0	356.474	1.835	20	30		FDEDRO
C[C@@]1(C#N)CN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCO1	ZINC000891539775	778256831	/nfs/dbraw/zinc/25/68/31/778256831.db2.gz	DCHXPINEADYYAI-HXUWFJFHSA-N	1	0	371.485	1.128	20	30		FDEDRO
CC(C)(CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1)C[NH+]1CCCC1	ZINC000276600653	778345094	/nfs/dbraw/zinc/34/50/94/778345094.db2.gz	BCLJVZHLTLRFEZ-UHFFFAOYSA-N	1	0	370.501	1.907	20	30		FDEDRO
C[C@@H](NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1cccc(C#N)c1	ZINC000891621080	778586431	/nfs/dbraw/zinc/58/64/31/778586431.db2.gz	FHCDLYHBMOJNDZ-YYQUZTFQSA-N	1	0	369.425	1.196	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1CC[NH2+]Cc1ccccc1C#N	ZINC001104376856	778692059	/nfs/dbraw/zinc/69/20/59/778692059.db2.gz	WQWBGAQYZLLWPG-ATZDWAIDSA-N	1	0	368.481	1.659	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)ccc1F	ZINC001022228977	778778928	/nfs/dbraw/zinc/77/89/28/778778928.db2.gz	SKHUDPARUIUKQZ-QKPAOTATSA-N	1	0	353.401	1.961	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1	ZINC001022229130	778779769	/nfs/dbraw/zinc/77/97/69/778779769.db2.gz	VLPWQSUVUARUOQ-YYIAUSFCSA-N	1	0	353.401	1.961	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccc(C)o2)C[C@H]1c1ccccc1	ZINC001211522202	778961535	/nfs/dbraw/zinc/96/15/35/778961535.db2.gz	HCWAXAMFGAMJHE-ZWKOTPCHSA-N	1	0	365.433	1.535	20	30		FDEDRO
CC(C)N1CC[NH+](C2CCN(C([O-])=[NH+][C@@H]3CCc4c[nH]nc4C3)CC2)CC1	ZINC000328852648	778998054	/nfs/dbraw/zinc/99/80/54/778998054.db2.gz	VTHNBIVVWZEXBE-QGZVFWFLSA-N	1	0	374.533	1.671	20	30		FDEDRO
CC(C)(CNC(=O)N1CCC(C[NH+]2CCOCC2)CC1)N1CCOCC1	ZINC000328866423	779149338	/nfs/dbraw/zinc/14/93/38/779149338.db2.gz	NWPISAPREXFDOH-UHFFFAOYSA-N	1	0	368.522	1.055	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)C[C@H]4CC[N@@H+](C)C4)C[C@H]32)nc1	ZINC001022293617	779187147	/nfs/dbraw/zinc/18/71/47/779187147.db2.gz	YIUUWFKASJKHQC-ZIFCJYIRSA-N	1	0	366.465	1.078	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)C[N@@H+](C)C4CCC4)C[C@H]32)nc1	ZINC001022294667	779195736	/nfs/dbraw/zinc/19/57/36/779195736.db2.gz	PYADVUXAPDZKNB-QFBILLFUSA-N	1	0	366.465	1.220	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cccc(SCC#N)c1	ZINC000430702201	779254804	/nfs/dbraw/zinc/25/48/04/779254804.db2.gz	QPSMPPVZYADLME-KRWDZBQOSA-N	1	0	374.510	1.975	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]21	ZINC001022312582	779285520	/nfs/dbraw/zinc/28/55/20/779285520.db2.gz	BIUAJSXSROQJPW-XUVXKRRUSA-N	1	0	365.477	1.364	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnn4cc(OC)ccc34)[C@H]2C1	ZINC001083225701	779427470	/nfs/dbraw/zinc/42/74/70/779427470.db2.gz	JEPYQVGZFJSZKJ-RBUKOAKNSA-N	1	0	370.453	1.834	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@H]32)cc1	ZINC001022337021	779439049	/nfs/dbraw/zinc/43/90/49/779439049.db2.gz	RTVLDORSWGTPFH-RBUKOAKNSA-N	1	0	351.450	1.437	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)NCc3nc(C#N)cs3)ccn2)CC1	ZINC000891829315	779627753	/nfs/dbraw/zinc/62/77/53/779627753.db2.gz	BSTNBKXRZOQVLN-UHFFFAOYSA-N	1	0	371.470	1.161	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@H]1C	ZINC001104383034	779678487	/nfs/dbraw/zinc/67/84/87/779678487.db2.gz	WGTWVYOPWSTJPH-IAGOWNOFSA-N	1	0	351.491	1.276	20	30		FDEDRO
CC[NH+]=C(NCCN1CCOC[C@@H]1C)N1CC[C@H](C)[C@@H](n2ccnc2)C1	ZINC000261970663	779758573	/nfs/dbraw/zinc/75/85/73/779758573.db2.gz	MRSNZTXFOQXTJK-BZSNNMDCSA-N	1	0	362.522	1.452	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H]3NC(=O)c4ccccc43)[C@H]2C1	ZINC001083229900	780004699	/nfs/dbraw/zinc/00/46/99/780004699.db2.gz	XTMYEWIPVMUBGP-FGTMMUONSA-N	1	0	355.438	1.349	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21	ZINC001022424391	780030074	/nfs/dbraw/zinc/03/00/74/780030074.db2.gz	VBJHURJZIDTHMR-BHYGNILZSA-N	1	0	355.442	1.044	20	30		FDEDRO
C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCC1(CC#N)CC1	ZINC000431189067	780290821	/nfs/dbraw/zinc/29/08/21/780290821.db2.gz	CQRSIAOKOQPTQE-KRWDZBQOSA-N	1	0	371.485	1.269	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1	ZINC000971872646	780352648	/nfs/dbraw/zinc/35/26/48/780352648.db2.gz	DBWFQZZHSRTQPV-XOKHGSTOSA-N	1	0	355.442	1.044	20	30		FDEDRO
Cn1nccc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1	ZINC001022471314	780482623	/nfs/dbraw/zinc/48/26/23/780482623.db2.gz	CJJVPWKKAJHDJK-YYIAUSFCSA-N	1	0	367.428	1.971	20	30		FDEDRO
C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)C1	ZINC001022471866	780490387	/nfs/dbraw/zinc/49/03/87/780490387.db2.gz	UOSDLKXDIHGISI-YVECIDJPSA-N	1	0	353.264	1.669	20	30		FDEDRO
C[NH+](C)[C@H]1CCCN(CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1	ZINC000277056909	780691467	/nfs/dbraw/zinc/69/14/67/780691467.db2.gz	CVKRCIRCBWJCOF-GOEBONIOSA-N	1	0	367.453	1.928	20	30		FDEDRO
CC1CC[NH+](C2CCC(NC(=O)NCCn3cnc(C#N)n3)CC2)CC1	ZINC000376919261	790833100	/nfs/dbraw/zinc/83/31/00/790833100.db2.gz	YDLOPDQSFHWPET-UHFFFAOYSA-N	1	0	359.478	1.492	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]21	ZINC001022567010	781171213	/nfs/dbraw/zinc/17/12/13/781171213.db2.gz	OJKQJQZJYDBLGA-JCGIZDLHSA-N	1	0	358.486	1.327	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3CN(C(=O)[C@@H](C4CC4)[NH+](C)C)C[C@H]32)c1	ZINC001022635125	781693973	/nfs/dbraw/zinc/69/39/73/781693973.db2.gz	MCIZJGMAKRLHJT-QXAKKESOSA-N	1	0	366.465	1.076	20	30		FDEDRO
Cn1ccc(C[NH2+][C@@H]2CN(C(=O)CSCC#N)C[C@H]2c2ccccc2)n1	ZINC001211538126	781806623	/nfs/dbraw/zinc/80/66/23/781806623.db2.gz	TUFNERUWCPLLBA-ZWKOTPCHSA-N	1	0	369.494	1.761	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNC(=O)NCc2ccc(OCC#N)cc2)CCCO1	ZINC000277419102	781821458	/nfs/dbraw/zinc/82/14/58/781821458.db2.gz	MEXBCJREWRUDQD-INIZCTEOSA-N	1	0	360.458	1.889	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(C(=O)NC)c2)C1	ZINC000972375614	783544369	/nfs/dbraw/zinc/54/43/69/783544369.db2.gz	IUPSZTPXKXKWTP-QRVBRYPASA-N	1	0	371.481	1.670	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCc3cnc(C)n3C1)C2	ZINC001112518279	783600299	/nfs/dbraw/zinc/60/02/99/783600299.db2.gz	AQPYDPZWNQGXSR-WFXMLNOXSA-N	1	0	354.498	1.996	20	30		FDEDRO
C=CCn1c([C@@H]2CCO[C@@H]2C)nnc1N1CC[NH+](C(C)(C)COC)CC1	ZINC000647375955	783779829	/nfs/dbraw/zinc/77/98/29/783779829.db2.gz	JPROTHIJCVXPBC-HZPDHXFCSA-N	1	0	363.506	1.904	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1	ZINC001024136520	783815838	/nfs/dbraw/zinc/81/58/38/783815838.db2.gz	KNDKPLHWFLUTSH-OWCLPIDISA-N	1	0	351.491	1.151	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3ccc(C)s3)C[C@H]21	ZINC000972834901	783901862	/nfs/dbraw/zinc/90/18/62/783901862.db2.gz	IBRUVEXYGLPPLF-IXDOHACOSA-N	1	0	371.506	1.827	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3cc(CC)on3)C[C@H]21	ZINC000972835112	783902712	/nfs/dbraw/zinc/90/27/12/783902712.db2.gz	OKHYHBWGBLWKCA-FHLIZLRMSA-N	1	0	370.453	1.008	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3c(C)noc3C)C[C@H]21	ZINC000972835563	783904101	/nfs/dbraw/zinc/90/41/01/783904101.db2.gz	YIAHFSAKTGWXHL-IXDOHACOSA-N	1	0	370.453	1.062	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1	ZINC001024150349	783928897	/nfs/dbraw/zinc/92/88/97/783928897.db2.gz	OEKBURUYGZGELE-BRWVUGGUSA-N	1	0	363.502	1.009	20	30		FDEDRO
NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#Cc2ccccc2Cl)C1	ZINC001112519913	783938772	/nfs/dbraw/zinc/93/87/72/783938772.db2.gz	GEEYRTHBISOCIS-KXBFYZLASA-N	1	0	359.857	1.395	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2nc(CCC)no2)C1	ZINC001024164358	784152668	/nfs/dbraw/zinc/15/26/68/784152668.db2.gz	ARQLOCRCCCIEMZ-OAGGEKHMSA-N	1	0	362.474	1.941	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2nn(C)cc2Cl)C1	ZINC001024165766	784174733	/nfs/dbraw/zinc/17/47/33/784174733.db2.gz	WHVDBYJPKVUGQU-VBQJREDUSA-N	1	0	366.893	1.993	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C[C@H]2O)C1	ZINC001025548773	791005774	/nfs/dbraw/zinc/00/57/74/791005774.db2.gz	OFMQIWKIOFJKLB-BRWVUGGUSA-N	1	0	363.502	1.153	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1	ZINC000658517079	784210945	/nfs/dbraw/zinc/21/09/45/784210945.db2.gz	MGMSUGVENFOAKH-MSOLQXFVSA-N	1	0	365.518	1.808	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1	ZINC000658541641	784254509	/nfs/dbraw/zinc/25/45/09/784254509.db2.gz	JIIQUCTVAPLOSG-UHFFFAOYSA-N	1	0	373.497	1.818	20	30		FDEDRO
C[C@@H]1C[C@@H](N(C)C(=O)NCC(=O)NCC#N)CC[N@@H+]1Cc1ccccc1	ZINC000377052369	791012490	/nfs/dbraw/zinc/01/24/90/791012490.db2.gz	SILMZXSCNOAGRU-WBVHZDCISA-N	1	0	357.458	1.321	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2nncs2)C1	ZINC001024195735	784307429	/nfs/dbraw/zinc/30/74/29/784307429.db2.gz	GBSNQQAACYKRAV-YCPHGPKFSA-N	1	0	350.488	1.848	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1	ZINC000658620871	784693673	/nfs/dbraw/zinc/69/36/73/784693673.db2.gz	VUSWOBQIVOFHNH-ZWKOTPCHSA-N	1	0	363.502	1.372	20	30		FDEDRO
C[N@@H+]1CC[C@H](CNC(=O)NCC#CCO)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000923776025	784786406	/nfs/dbraw/zinc/78/64/06/784786406.db2.gz	WITMEALSHIXRIE-CJNGLKHVSA-N	1	0	353.825	1.767	20	30		FDEDRO
N#CCSc1ccccc1NC(=O)CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000375797948	784903920	/nfs/dbraw/zinc/90/39/20/784903920.db2.gz	VXDSGZIDEMSEMH-SJORKVTESA-N	1	0	374.510	1.772	20	30		FDEDRO
CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1	ZINC000364391208	785045404	/nfs/dbraw/zinc/04/54/04/785045404.db2.gz	YVQWWLKNTOYWCQ-OALUTQOASA-N	1	0	368.481	1.992	20	30		FDEDRO
C[C@H](CO)[N@@H+]1CCCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000364958534	785242908	/nfs/dbraw/zinc/24/29/08/785242908.db2.gz	ZURAGNCFEHUSGM-VQIMIIECSA-N	1	0	356.470	1.442	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccccc4F)[C@@H]3C2)C1=O	ZINC001075500461	785314751	/nfs/dbraw/zinc/31/47/51/785314751.db2.gz	GOZAEKJWWRGAMJ-BMGDILEWSA-N	1	0	357.429	1.759	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cn(CC)cn2)C1	ZINC001111939790	785878523	/nfs/dbraw/zinc/87/85/23/785878523.db2.gz	SJBQZIPPTWDRMA-VCBZYWHSSA-N	1	0	359.474	1.178	20	30		FDEDRO
CC(C)[NH+]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1	ZINC000376287058	787164742	/nfs/dbraw/zinc/16/47/42/787164742.db2.gz	SXFSLJKFLFVRTF-UHFFFAOYSA-N	1	0	356.405	2.441	20	30		FDEDRO
COc1ccc([C@@H]2[C@@H](CNC(=O)NCC(=O)NCC#N)CCC[N@@H+]2C)cc1	ZINC000376316495	787254465	/nfs/dbraw/zinc/25/44/65/787254465.db2.gz	MDVMXADGCWUXQF-CRAIPNDOSA-N	1	0	373.457	1.017	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1	ZINC000936114713	787276815	/nfs/dbraw/zinc/27/68/15/787276815.db2.gz	YENRNAZYCJBDEF-QRVBRYPASA-N	1	0	371.481	1.670	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCO)C1	ZINC001211683768	805780112	/nfs/dbraw/zinc/78/01/12/805780112.db2.gz	ARDJCFXKHVDMLP-IPMKNSEASA-N	1	0	359.470	1.034	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)n1	ZINC000376353050	787410325	/nfs/dbraw/zinc/41/03/25/787410325.db2.gz	QAUUGOVIPOWEQQ-UHFFFAOYSA-N	1	0	373.486	1.423	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)NC(=O)NCC)C[C@H]1c1ccccc1	ZINC001211684294	805806726	/nfs/dbraw/zinc/80/67/26/805806726.db2.gz	QTFNBCIVXOSZDC-DLBZAZTESA-N	1	0	358.486	1.854	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2C[C@H]2C(N)=O)c1	ZINC001025084387	787779860	/nfs/dbraw/zinc/77/98/60/787779860.db2.gz	WJQAFDGSNCFBMM-OAGGEKHMSA-N	1	0	358.417	1.289	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C)C2)C[C@H]1c1ccccc1	ZINC001211684369	805826689	/nfs/dbraw/zinc/82/66/89/805826689.db2.gz	UKNBDLOQUKFRFZ-YSIASYRMSA-N	1	0	367.493	1.852	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC000978870038	805834383	/nfs/dbraw/zinc/83/43/83/805834383.db2.gz	OSSJWJAVFFRVHD-MXASKKJJSA-N	1	0	354.454	1.028	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1cnns1	ZINC001025111255	787959350	/nfs/dbraw/zinc/95/93/50/787959350.db2.gz	FVQHDWNMPIBIIX-BPUTZDHNSA-N	1	0	350.488	1.990	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1	ZINC001025176841	788191829	/nfs/dbraw/zinc/19/18/29/788191829.db2.gz	BCEQYRUOFORLQD-BRWVUGGUSA-N	1	0	363.502	1.153	20	30		FDEDRO
C=CCN(C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)[C@@H]1CCS(=O)(=O)C1	ZINC000659251721	788316342	/nfs/dbraw/zinc/31/63/42/788316342.db2.gz	JVVTUYFNSVEGMA-DLBZAZTESA-N	1	0	362.495	1.881	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2csc(C)n2)C[C@H]1C	ZINC001104578407	788405430	/nfs/dbraw/zinc/40/54/30/788405430.db2.gz	WWWBACISVCSVJC-UMVBOHGHSA-N	1	0	362.499	1.277	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1	ZINC001025291273	788438662	/nfs/dbraw/zinc/43/86/62/788438662.db2.gz	AHDXOJJYPRQHPP-HZPDHXFCSA-N	1	0	351.491	1.009	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000973330958	788594519	/nfs/dbraw/zinc/59/45/19/788594519.db2.gz	VEUOTQGTYCZPNY-WEVKCVHISA-N	1	0	363.502	1.461	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000973330664	788650528	/nfs/dbraw/zinc/65/05/28/788650528.db2.gz	UJZDOWDPOHFEDO-QBPKDAKJSA-N	1	0	371.481	1.969	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2coc(C(F)F)c2)C[C@H]1C	ZINC001104587059	788736193	/nfs/dbraw/zinc/73/61/93/788736193.db2.gz	FDFFSPWHAOTGRF-CHWSQXEVSA-N	1	0	367.396	1.654	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1CC[NH2+]Cc1ccc(C#N)s1	ZINC001104594754	788785670	/nfs/dbraw/zinc/78/56/70/788785670.db2.gz	OYZRJNRVTKRYCJ-CHWSQXEVSA-N	1	0	371.466	1.591	20	30		FDEDRO
CCCc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)cc1	ZINC001104603256	788824671	/nfs/dbraw/zinc/82/46/71/788824671.db2.gz	JBROTBCJQSENAI-VQIMIIECSA-N	1	0	370.497	1.967	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc32)C[C@H]1C	ZINC001104604594	788828088	/nfs/dbraw/zinc/82/80/88/788828088.db2.gz	ANVOCJMQNVBSDI-SZVBFZGTSA-N	1	0	353.466	1.150	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](O)COCCOC)C1	ZINC001104607524	788855232	/nfs/dbraw/zinc/85/52/32/788855232.db2.gz	XZDANXWIOWNTSG-KZNAEPCWSA-N	1	0	356.507	1.441	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnco2)C[C@H]1c1ccccc1	ZINC001211645290	788862934	/nfs/dbraw/zinc/86/29/34/788862934.db2.gz	XOSJXXPXMMLQOM-BHYGNILZSA-N	1	0	366.421	1.010	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000973476695	789128294	/nfs/dbraw/zinc/12/82/94/789128294.db2.gz	ZKCBBFXRAFELLL-SRABZTEZSA-N	1	0	354.410	1.302	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nnnn3C3CC3)C2)C1	ZINC001104652212	789174231	/nfs/dbraw/zinc/17/42/31/789174231.db2.gz	JRPCJFMSJRHEPN-HUUCEWRRSA-N	1	0	358.490	1.939	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3ncn(C)c3n2)C[C@H]1C	ZINC001104673375	789271497	/nfs/dbraw/zinc/27/14/97/789271497.db2.gz	WRJFHCGIKQGSKP-HZPDHXFCSA-N	1	0	371.485	1.859	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cc(-n3cccn3)ccn2)C[C@H]1C	ZINC001104667502	789274354	/nfs/dbraw/zinc/27/43/54/789274354.db2.gz	PKPMFFPGIJGAND-IAGOWNOFSA-N	1	0	351.454	1.978	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)c2cccs2)C[C@H]1C	ZINC001104669510	789277079	/nfs/dbraw/zinc/27/70/79/789277079.db2.gz	HWYDBIWTKBAQFC-OWCLPIDISA-N	1	0	361.511	1.675	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCC(F)(F)C2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104669533	789277315	/nfs/dbraw/zinc/27/73/15/789277315.db2.gz	PYFUDYTXOVVBNC-QLFBSQMISA-N	1	0	370.444	1.526	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc[nH]c2C2CCC2)C[C@H]1C	ZINC001104676554	789317492	/nfs/dbraw/zinc/31/74/92/789317492.db2.gz	POATUXKUVDGCJF-NVXWUHKLSA-N	1	0	370.497	1.719	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CC[NH2+]Cc1ccccc1C#N	ZINC001104687257	789379157	/nfs/dbraw/zinc/37/91/57/789379157.db2.gz	ZXAQKGDEHXCBSR-PILAGYSTSA-N	1	0	354.454	1.254	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2c[nH]c(=O)cc2OC)C[C@H]1C	ZINC001104694381	789464235	/nfs/dbraw/zinc/46/42/35/789464235.db2.gz	OYTYOZBAQWPUPZ-HUUCEWRRSA-N	1	0	361.442	1.133	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC2CC2)C1	ZINC001104699594	789519211	/nfs/dbraw/zinc/51/92/11/789519211.db2.gz	ABLABIFCPZVFHY-DDBAPUKQSA-N	1	0	363.502	1.178	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccncc2Cl)C[C@H]1C	ZINC001104717641	789678679	/nfs/dbraw/zinc/67/86/79/789678679.db2.gz	MCXKIRGSPFNYHX-ZIAGYGMSSA-N	1	0	364.877	1.725	20	30		FDEDRO
N#Cc1cccc([C@@H]2CN(C(=O)C(=O)Nc3ccc(C[NH3+])cc3)CCO2)c1	ZINC000415015379	791201009	/nfs/dbraw/zinc/20/10/09/791201009.db2.gz	YNQXZEADLKORKP-SFHVURJKSA-N	1	0	364.405	1.556	20	30		FDEDRO
C=C[C@H](CO)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br	ZINC000662165758	806048517	/nfs/dbraw/zinc/04/85/17/806048517.db2.gz	OHXCQOPIIPXIMM-MNOVXSKESA-N	1	0	350.640	1.979	20	30		FDEDRO
CC(C)CCN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2	ZINC000415133722	791463783	/nfs/dbraw/zinc/46/37/83/791463783.db2.gz	NMTUBXHAUKAJLW-UHFFFAOYSA-N	1	0	358.442	1.895	20	30		FDEDRO
N#Cc1cccc(CCNC(=O)C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)c1	ZINC000415197655	791620316	/nfs/dbraw/zinc/62/03/16/791620316.db2.gz	DFWPAUBZCLRQJV-UHFFFAOYSA-N	1	0	366.396	1.640	20	30		FDEDRO
C[C@H]1CN(C(=O)COc2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1	ZINC000377373376	791655364	/nfs/dbraw/zinc/65/53/64/791655364.db2.gz	MDIUTSNYGVZSTP-INIZCTEOSA-N	1	0	356.470	1.564	20	30		FDEDRO
C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1	ZINC000415299421	791876372	/nfs/dbraw/zinc/87/63/72/791876372.db2.gz	MRXLUJQBUOHXGN-GFCCVEGCSA-N	1	0	370.331	1.258	20	30		FDEDRO
C=CCc1ccc(OCC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(OC)c1	ZINC000377468245	791911748	/nfs/dbraw/zinc/91/17/48/791911748.db2.gz	ASHLHPIQSMBYRE-IAGOWNOFSA-N	1	0	360.454	1.782	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21	ZINC001025789814	792037247	/nfs/dbraw/zinc/03/72/47/792037247.db2.gz	KHTORNNWOUJIFX-ZXXIGWHRSA-N	1	0	361.486	1.023	20	30		FDEDRO
C[C@@H]1CCCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)[C@H]1C[NH3+]	ZINC000415437567	792270960	/nfs/dbraw/zinc/27/09/60/792270960.db2.gz	KSQGYGJVUSFDER-WBMJQRKESA-N	1	0	356.405	2.474	20	30		FDEDRO
N#Cc1cc(Oc2ccc(NC(=O)C(=O)N[C@H](C[NH3+])C3CC3)cc2)ccn1	ZINC000415447384	792293636	/nfs/dbraw/zinc/29/36/36/792293636.db2.gz	KUKNLMKBXBGDMG-QGZVFWFLSA-N	1	0	365.393	1.538	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3CCCO[C@@H](C[NH3+])C3)n2)c(Cl)c1	ZINC000415460550	792309270	/nfs/dbraw/zinc/30/92/70/792309270.db2.gz	NKHBPNFCCJOSGX-ZDUSSCGKSA-N	1	0	374.832	1.979	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)N[C@@H]2CCC[NH2+]C2)c(C#N)cn1CCOC	ZINC000415486638	792352232	/nfs/dbraw/zinc/35/22/32/792352232.db2.gz	JWWSTBGXUKSGFB-CYBMUJFWSA-N	1	0	363.418	1.056	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[NH2+]C)cc1	ZINC000415503063	792397714	/nfs/dbraw/zinc/39/77/14/792397714.db2.gz	WEAFVWXKAZFNFS-HNNXBMFYSA-N	1	0	359.430	1.143	20	30		FDEDRO
CCC[NH2+]CCNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000415517276	792423699	/nfs/dbraw/zinc/42/36/99/792423699.db2.gz	JHDKIGXIYJIASD-UHFFFAOYSA-N	1	0	350.422	1.536	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1	ZINC000415575490	792570823	/nfs/dbraw/zinc/57/08/23/792570823.db2.gz	XEPYUHPHBVPEGN-QWHCGFSZSA-N	1	0	359.430	1.141	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NC(=O)NCc2nc(C#N)cs2)[C@H](C)C1	ZINC000893050156	792644645	/nfs/dbraw/zinc/64/46/45/792644645.db2.gz	HRSIKVJEFLZANB-HIFRSBDPSA-N	1	0	365.503	1.951	20	30		FDEDRO
C=CCN1CCC([NH2+]Cc2ccc(OCC(=O)NCC)c(OC)c2)CC1	ZINC000236889442	806174542	/nfs/dbraw/zinc/17/45/42/806174542.db2.gz	AFAXGNYMGVWSNK-UHFFFAOYSA-N	1	0	361.486	1.950	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)n1	ZINC000415660356	792767590	/nfs/dbraw/zinc/76/75/90/792767590.db2.gz	NKVMEKKPNIMRLC-UHFFFAOYSA-N	1	0	368.441	1.652	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3cccc(OC(C)C)c3)[C@H]2C1	ZINC001083288097	792836001	/nfs/dbraw/zinc/83/60/01/792836001.db2.gz	NZAZRMRQZXZHHA-VQTJNVASSA-N	1	0	356.466	1.951	20	30		FDEDRO
C=CCNC(=O)CN[C@@H]1CN(C(=O)c2ccsc2)C[C@H]1C(F)(F)F	ZINC001112042333	792903672	/nfs/dbraw/zinc/90/36/72/792903672.db2.gz	NYRCCBPGPSIYQM-VXGBXAGGSA-N	1	0	361.389	1.643	20	30		FDEDRO
C#CCCN1C[C@H]2OCCN(C(=O)c3ccc(C[NH+](CC)CC)o3)[C@H]2C1	ZINC001083289191	792931765	/nfs/dbraw/zinc/93/17/65/792931765.db2.gz	XBJNREKTHUWXRD-PKOBYXMFSA-N	1	0	359.470	1.670	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1	ZINC000415754297	792938058	/nfs/dbraw/zinc/93/80/58/792938058.db2.gz	HWXWIWOSXLRFQC-IYBDPMFKSA-N	1	0	370.453	1.766	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1	ZINC000415814208	793046153	/nfs/dbraw/zinc/04/61/53/793046153.db2.gz	CZDLGHLRYRUTNR-LSDHHAIUSA-N	1	0	356.426	1.353	20	30		FDEDRO
N#CC1(COC(=O)C[C@@H]2CCNC2=O)CC[NH+](Cc2ccccc2)CC1	ZINC000893115352	793052319	/nfs/dbraw/zinc/05/23/19/793052319.db2.gz	LKMCIIVRDVSOCM-KRWDZBQOSA-N	1	0	355.438	1.862	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc1	ZINC000415840759	793116681	/nfs/dbraw/zinc/11/66/81/793116681.db2.gz	GJGZKCQDCZMKBF-ZIAGYGMSSA-N	1	0	373.457	1.376	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)cc1	ZINC000415875386	793250703	/nfs/dbraw/zinc/25/07/03/793250703.db2.gz	YUEMIKNIKXMBBX-OAHLLOKOSA-N	1	0	359.430	1.191	20	30		FDEDRO
CN(CC[NH3+])C(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1	ZINC000415878281	793259234	/nfs/dbraw/zinc/25/92/34/793259234.db2.gz	LYMJWOBXURPGAI-UHFFFAOYSA-N	1	0	368.441	1.397	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1	ZINC000415882725	793288054	/nfs/dbraw/zinc/28/80/54/793288054.db2.gz	YCXDXNPSIVENTR-SJLPKXTDSA-N	1	0	370.453	1.550	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@H](F)C1CN(C(=O)OC(C)(C)C)C1	ZINC000377982084	793297319	/nfs/dbraw/zinc/29/73/19/793297319.db2.gz	GSWSHEJRGGYJMJ-OAHLLOKOSA-N	1	0	370.469	1.885	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H]3C(=O)Nc4ccccc43)[C@H]2C1	ZINC001083290253	793336210	/nfs/dbraw/zinc/33/62/10/793336210.db2.gz	PNIQYPXTZOLWLU-BPQIPLTHSA-N	1	0	353.422	1.047	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(C)=O)C[C@H]2c2ccccc2F)CC1	ZINC001026112247	793367325	/nfs/dbraw/zinc/36/73/25/793367325.db2.gz	AZJVWNYZSZDDHU-AZUAARDMSA-N	1	0	371.456	1.601	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)Nc3ccc(OCC[NH3+])cc3)C2)nc1	ZINC000415942216	793412164	/nfs/dbraw/zinc/41/21/64/793412164.db2.gz	ABDYDAGTJOUFAL-QGZVFWFLSA-N	1	0	367.409	1.976	20	30		FDEDRO
C[C@@H](CC(C)(C)C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104754659	793412976	/nfs/dbraw/zinc/41/29/76/793412976.db2.gz	HCRFHWCHGCCRJI-ARFHVFGLSA-N	1	0	350.507	1.773	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccsc2Cl)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104757894	793489539	/nfs/dbraw/zinc/48/95/39/793489539.db2.gz	RSSJKVKGBNGHDC-VXGBXAGGSA-N	1	0	368.890	1.729	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1	ZINC000378128143	793550575	/nfs/dbraw/zinc/55/05/75/793550575.db2.gz	SSTNVSGFZJCVBF-PMPSAXMXSA-N	1	0	369.473	1.195	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nccn3C)C2)nn1	ZINC001104769199	793554393	/nfs/dbraw/zinc/55/43/93/793554393.db2.gz	JFXHIEPHHKTUES-HUUCEWRRSA-N	1	0	357.462	1.086	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)C(=O)NCc2ccc(F)cc2)C[C@H]1C	ZINC001104768563	793562894	/nfs/dbraw/zinc/56/28/94/793562894.db2.gz	PNGCMAYDTOITCZ-NVXWUHKLSA-N	1	0	359.445	1.539	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C[C@H]1C	ZINC001104782654	793633215	/nfs/dbraw/zinc/63/32/15/793633215.db2.gz	MXTRJANNOTTZED-NCXUSEDFSA-N	1	0	360.502	1.939	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000979331924	806264181	/nfs/dbraw/zinc/26/41/81/806264181.db2.gz	RRMLLTCFKIATLU-SIUPPRGNSA-N	1	0	368.437	1.550	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cn3nc(C)cc3[nH]c2=O)C[C@H]1C	ZINC001104791932	793694385	/nfs/dbraw/zinc/69/43/85/793694385.db2.gz	HKVYOYLRVLAOGI-UKRRQHHQSA-N	1	0	355.442	1.042	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1	ZINC001087425611	806265466	/nfs/dbraw/zinc/26/54/66/806265466.db2.gz	GUAUNLVLZYUSDY-POZUXBRTSA-N	1	0	352.438	1.855	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)N2CCOCC2)C[C@H]1C	ZINC001104794645	793714065	/nfs/dbraw/zinc/71/40/65/793714065.db2.gz	FTYMGGKRXWUGBD-GDBMZVCRSA-N	1	0	357.926	1.924	20	30		FDEDRO
N#CCSCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H]2CCOC2)C1	ZINC001112053126	793877212	/nfs/dbraw/zinc/87/72/12/793877212.db2.gz	UFEQKENNXDTKGA-IJLUTSLNSA-N	1	0	351.394	1.259	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@H]1C(F)(F)F	ZINC001112055342	793993975	/nfs/dbraw/zinc/99/39/75/793993975.db2.gz	LGFIKZXSWXRAQC-MRVWCRGKSA-N	1	0	361.408	1.846	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2nccn3cc(C)nc23)C[C@H]1C	ZINC001104882386	794196851	/nfs/dbraw/zinc/19/68/51/794196851.db2.gz	XAYJYASEABVAEJ-NVXWUHKLSA-N	1	0	369.469	1.375	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(-n3ccnn3)cc2)C[C@H]1C	ZINC001104901574	794306821	/nfs/dbraw/zinc/30/68/21/794306821.db2.gz	GMDFXUXVYKWBHJ-SJLPKXTDSA-N	1	0	351.454	1.978	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1CC[NH2+]Cc1ccc(C#N)s1	ZINC001104927010	794427218	/nfs/dbraw/zinc/42/72/18/794427218.db2.gz	OKDBALZYLZXBIN-IOASZLSFSA-N	1	0	360.483	1.473	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1	ZINC000974132321	794484191	/nfs/dbraw/zinc/48/41/91/794484191.db2.gz	XJMZQPNCTOCPTB-AVEIZBFRSA-N	1	0	363.502	1.605	20	30		FDEDRO
N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O	ZINC000416677255	794526586	/nfs/dbraw/zinc/52/65/86/794526586.db2.gz	DHDUMOHOZCRSMQ-ZWKOTPCHSA-N	1	0	369.469	1.575	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)c2cc3c(cn2)nc[nH]c3=O)C[C@H]1C	ZINC001104961852	794591132	/nfs/dbraw/zinc/59/11/32/794591132.db2.gz	ZRDXTENMCLMUMP-ZIAGYGMSSA-N	1	0	355.442	1.994	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000974181384	794646048	/nfs/dbraw/zinc/64/60/48/794646048.db2.gz	IKKQUDNUHKXDPH-MVJTYMMSSA-N	1	0	368.437	1.693	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2n[nH]c3ccccc32)C[C@H]1C	ZINC001104971715	794662427	/nfs/dbraw/zinc/66/24/27/794662427.db2.gz	VHFLYOVAJDKHHJ-HZPDHXFCSA-N	1	0	354.454	1.901	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CCCc2nc(C)no2)C[C@H]1C	ZINC001105005272	794844360	/nfs/dbraw/zinc/84/43/60/794844360.db2.gz	LDVLVHGOWGSMSB-NVXWUHKLSA-N	1	0	364.490	1.978	20	30		FDEDRO
CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2cc(C)c(N(C)C)cc2C#N)CC1	ZINC000417126000	794991409	/nfs/dbraw/zinc/99/14/09/794991409.db2.gz	CCMNWIOHISHNCT-INIZCTEOSA-N	1	0	359.474	1.853	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCC(C#N)CC1	ZINC000511611842	795076618	/nfs/dbraw/zinc/07/66/18/795076618.db2.gz	NBMOPKZKKFEFOX-QAPCUYQASA-N	1	0	354.454	1.385	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)N2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)cc1	ZINC000364093412	795158956	/nfs/dbraw/zinc/15/89/56/795158956.db2.gz	WDCGOYWKVAMSGR-MSOLQXFVSA-N	1	0	372.469	1.720	20	30		FDEDRO
C=CCc1cc(CNC(=O)N2CCCO[C@@H](C[NH3+])C2)cc(OC)c1OC	ZINC000417381385	795174593	/nfs/dbraw/zinc/17/45/93/795174593.db2.gz	IKHUXDXGEMCBGK-INIZCTEOSA-N	1	0	363.458	1.692	20	30		FDEDRO
CC(C)c1occc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001105083974	795188530	/nfs/dbraw/zinc/18/85/30/795188530.db2.gz	GHYFFSBDUSDPNG-HUUCEWRRSA-N	1	0	360.458	1.731	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H]2CCc3ncnn32)C1	ZINC001105090156	795233600	/nfs/dbraw/zinc/23/36/00/795233600.db2.gz	LSRMUDYONWYKAD-BRWVUGGUSA-N	1	0	361.490	1.432	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOC[C@H]2CCCO2)C1	ZINC001105090224	795234361	/nfs/dbraw/zinc/23/43/61/795234361.db2.gz	NAEQXQURYBBHOR-GUDVDZBRSA-N	1	0	368.518	1.849	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(OC)nn2)C1	ZINC001105090432	795234799	/nfs/dbraw/zinc/23/47/99/795234799.db2.gz	VINPIIBPXLRNFE-OWCLPIDISA-N	1	0	362.474	1.651	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)OCCC(C)C)C[C@H]1C	ZINC001105091070	795238857	/nfs/dbraw/zinc/23/88/57/795238857.db2.gz	RJWMEXRAFLKHIA-KZNAEPCWSA-N	1	0	365.518	1.261	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C(N)=O)cn2)C[C@H]1C	ZINC001105099397	795277790	/nfs/dbraw/zinc/27/77/90/795277790.db2.gz	SYWXOAPOAKHJBD-GDBMZVCRSA-N	1	0	360.458	1.071	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)C2CCC2)C[C@H]1C	ZINC001105111457	795323185	/nfs/dbraw/zinc/32/31/85/795323185.db2.gz	ZKBFRIUAAMQUHQ-JFIYKMOQSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCCO2)C[C@H]1C	ZINC001105111855	795324256	/nfs/dbraw/zinc/32/42/56/795324256.db2.gz	SZZZKYNUAQQKGV-KZNAEPCWSA-N	1	0	365.518	1.712	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCOCC2	ZINC000893318731	795384108	/nfs/dbraw/zinc/38/41/08/795384108.db2.gz	OJIXPIZFCXPCSZ-UONOGXRCSA-N	1	0	353.463	1.341	20	30		FDEDRO
N#CCC[C@@H](NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1	ZINC000417918194	795422254	/nfs/dbraw/zinc/42/22/54/795422254.db2.gz	OSXBOZQUQJGTEO-DLBZAZTESA-N	1	0	357.458	1.528	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C2CCC(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC2)cc1	ZINC001026558580	795551577	/nfs/dbraw/zinc/55/15/77/795551577.db2.gz	PMQNKUDZCCTPTB-ZGUYJTEBSA-N	1	0	370.453	1.108	20	30		FDEDRO
CCCNC(=O)CN1CCC([NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)CC1	ZINC000364289698	795606213	/nfs/dbraw/zinc/60/62/13/795606213.db2.gz	KDYSCYXFRHLHOZ-MANSERQUSA-N	1	0	362.518	1.806	20	30		FDEDRO
C=C(C)CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)nn1	ZINC001105264787	795627819	/nfs/dbraw/zinc/62/78/19/795627819.db2.gz	PUPCKZOACIEXMS-HZPDHXFCSA-N	1	0	355.446	1.244	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H]2CCNC2=O)C1	ZINC001211655504	795677324	/nfs/dbraw/zinc/67/73/24/795677324.db2.gz	LEQNPDUWXCILDL-GBESFXJTSA-N	1	0	353.466	1.653	20	30		FDEDRO
N#Cc1ccc(OC2CN(C(=O)NCCC[NH2+]Cc3cccnc3)C2)cc1	ZINC000418332977	795797043	/nfs/dbraw/zinc/79/70/43/795797043.db2.gz	UKCKJCRJFOTQPE-UHFFFAOYSA-N	1	0	365.437	1.906	20	30		FDEDRO
C=CCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)nn1	ZINC001105288542	795820071	/nfs/dbraw/zinc/82/00/71/795820071.db2.gz	QYTKRWWBALGROR-WKULXVSPSA-N	1	0	357.458	1.141	20	30		FDEDRO
CC(C)[C@H]([NH3+])CNC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000418395862	795865637	/nfs/dbraw/zinc/86/56/37/795865637.db2.gz	CKXQIIJUJHIXEA-QGZVFWFLSA-N	1	0	366.469	1.921	20	30		FDEDRO
CC(C)[C@@H]([NH3+])CNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000418413701	795887598	/nfs/dbraw/zinc/88/75/98/795887598.db2.gz	SJFOMOIMIYETOY-INIZCTEOSA-N	1	0	369.473	1.541	20	30		FDEDRO
C[C@@H](C[NH3+])CNC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000418488927	795985520	/nfs/dbraw/zinc/98/55/20/795985520.db2.gz	LCLKJQWLUGIVGB-AWEZNQCLSA-N	1	0	352.442	1.533	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4CCCC[N@H+]4C)[C@@H]3C2)nc1	ZINC000974471267	796016547	/nfs/dbraw/zinc/01/65/47/796016547.db2.gz	YEVAZSLFOBTSPZ-NZSAHSFTSA-N	1	0	366.465	1.220	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1	ZINC000979856700	806565471	/nfs/dbraw/zinc/56/54/71/806565471.db2.gz	LJHGIARGKZCEHJ-RXYDEIHYSA-N	1	0	363.502	1.320	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC000979874437	806574599	/nfs/dbraw/zinc/57/45/99/806574599.db2.gz	OSSJWJAVFFRVHD-MWQQHZPXSA-N	1	0	354.454	1.028	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)C[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)nc1	ZINC000974582103	799865670	/nfs/dbraw/zinc/86/56/70/799865670.db2.gz	UMIOHQWPAZASQK-ZHALLVOQSA-N	1	0	366.465	1.078	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]3C2)nc1	ZINC000974592096	799891964	/nfs/dbraw/zinc/89/19/64/799891964.db2.gz	OESBEMXKICUSMS-BPQIPLTHSA-N	1	0	354.454	1.076	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cc(C#N)ccc2F)C1	ZINC001026894976	800130865	/nfs/dbraw/zinc/13/08/65/800130865.db2.gz	SYQNBZBCFGKEKD-JOQOYGCGSA-N	1	0	361.417	1.439	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc1	ZINC001026963117	800321303	/nfs/dbraw/zinc/32/13/03/800321303.db2.gz	DGCIIPLDWVINMW-NADOGSGZSA-N	1	0	351.450	1.920	20	30		FDEDRO
N#Cc1cccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1	ZINC001026962095	800336327	/nfs/dbraw/zinc/33/63/27/800336327.db2.gz	BBBNLZKBLGDRPC-NADOGSGZSA-N	1	0	351.450	1.920	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N2C[C@H]3CCN(C(=O)c4ccc(C#N)[nH]4)C[C@H]32)CC[N@@H+]1C	ZINC000974874397	800451984	/nfs/dbraw/zinc/45/19/84/800451984.db2.gz	HFFDLCJXPYCEHP-OIPACUDHSA-N	1	0	369.469	1.290	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)CCC[NH2+]1	ZINC000662567880	806847178	/nfs/dbraw/zinc/84/71/78/806847178.db2.gz	ZUOGIXWYGKKOAU-LJQANCHMSA-N	1	0	363.408	1.948	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3cnn(-c4ccncc4)c3)C[C@H]21	ZINC000974967765	800616395	/nfs/dbraw/zinc/61/63/95/800616395.db2.gz	ACXQHTKLKWLRNL-JJRVBVJISA-N	1	0	364.409	1.100	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2nc(C)nc2C)CC1(C)C	ZINC000975061325	800807028	/nfs/dbraw/zinc/80/70/28/800807028.db2.gz	DYRFXHMYMSGESD-IXDOHACOSA-N	1	0	361.490	1.313	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)CC1(C)C	ZINC000975062134	800808071	/nfs/dbraw/zinc/80/80/71/800808071.db2.gz	GDIYEOBYSVCKDE-IKGGRYGDSA-N	1	0	359.470	1.303	20	30		FDEDRO
C=CC[C@]1(C(=O)NCCCCN2C(=O)c3ccccc3C2=O)CCC[NH2+]1	ZINC000662598583	806867994	/nfs/dbraw/zinc/86/79/94/806867994.db2.gz	WMBQBHRLAONKML-HXUWFJFHSA-N	1	0	355.438	1.877	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnc(OCC)s2)C1	ZINC001027076798	800892754	/nfs/dbraw/zinc/89/27/54/800892754.db2.gz	UYRDQMXARGCLRD-MJBXVCDLSA-N	1	0	366.487	1.466	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nc(CCC)no2)C1	ZINC001027117431	801016603	/nfs/dbraw/zinc/01/66/03/801016603.db2.gz	YEEZUUDYWCZIAZ-VKJFTORMSA-N	1	0	362.474	1.941	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)C[N@H+]4CC[C@@H](C)C4)[C@@H]3C2)cc1	ZINC000975228814	801028472	/nfs/dbraw/zinc/02/84/72/801028472.db2.gz	ZBOGBOHBLQDSQW-NSISKUIASA-N	1	0	365.477	1.683	20	30		FDEDRO
C=CC[C@@]1(C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)CCC[NH2+]1	ZINC000662622849	806885324	/nfs/dbraw/zinc/88/53/24/806885324.db2.gz	UVCGDTGVDBRTBZ-KRWDZBQOSA-N	1	0	367.446	1.903	20	30		FDEDRO
NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#Cc2ccccc2)C1	ZINC001112530923	806904118	/nfs/dbraw/zinc/90/41/18/806904118.db2.gz	VNQPDQDDHMZXTE-WEMPKCCASA-N	1	0	365.477	1.378	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000975452032	801363221	/nfs/dbraw/zinc/36/32/21/801363221.db2.gz	VYCISHJLXMICIY-IMFGXOCKSA-N	1	0	367.493	1.977	20	30		FDEDRO
C=CC[C@]1(C(=O)NC[C@@H](CO)Cc2cc(OC)cc(OC)c2)CCC[NH2+]1	ZINC000662647477	806922994	/nfs/dbraw/zinc/92/29/94/806922994.db2.gz	VNTRCERAYIYDFQ-OXJNMPFZSA-N	1	0	362.470	1.669	20	30		FDEDRO
C=CC[C@]1(C(=O)NCc2cccc(OCCN3CCOCC3)c2)CCC[NH2+]1	ZINC000662697522	806969225	/nfs/dbraw/zinc/96/92/25/806969225.db2.gz	FYJGKBXTSPHWFI-OAQYLSRUSA-N	1	0	373.497	1.712	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)C4CC(C)C4)[C@H]3C2)CC1	ZINC000975754209	802207704	/nfs/dbraw/zinc/20/77/04/802207704.db2.gz	FMZFRASOYSNSBE-RZMNMVRNSA-N	1	0	371.525	1.827	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCN(Cc3nccn3C(F)F)CC2)CCC[NH2+]1	ZINC000662699132	806971289	/nfs/dbraw/zinc/97/12/89/806971289.db2.gz	XASVXKDSCQLUAJ-KRWDZBQOSA-N	1	0	353.417	1.621	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CCN(C(=O)C#CC4CC4)[C@H]3C2)C1	ZINC000975758336	802280699	/nfs/dbraw/zinc/28/06/99/802280699.db2.gz	KJZJKVLUIZMMSB-UFYCRDLUSA-N	1	0	371.525	1.827	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CCN(C(=O)[C@@H]4CCC[N@H+]4C)[C@H]3C2)cc1	ZINC000975843743	802571468	/nfs/dbraw/zinc/57/14/68/802571468.db2.gz	FPNOQCSMZZXTKL-IHPCNDPISA-N	1	0	365.477	1.825	20	30		FDEDRO
C#Cc1ccc(C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)nc1	ZINC000728820214	803424145	/nfs/dbraw/zinc/42/41/45/803424145.db2.gz	DZOFKDVJICOJSZ-UHFFFAOYSA-N	1	0	350.378	1.785	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC000976539196	803490520	/nfs/dbraw/zinc/49/05/20/803490520.db2.gz	LMIHEMHLDOCRNE-NUEKZKHPSA-N	1	0	357.458	1.528	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC000976540045	803492359	/nfs/dbraw/zinc/49/23/59/803492359.db2.gz	WLSPFXDGBDVXHV-DTZQCDIJSA-N	1	0	357.458	1.384	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]21	ZINC000976592010	803582184	/nfs/dbraw/zinc/58/21/84/803582184.db2.gz	IHDQOWGTEJGJFV-ZMSHIADSSA-N	1	0	361.486	1.025	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC000976594465	803587513	/nfs/dbraw/zinc/58/75/13/803587513.db2.gz	CJKDOWPYXCKOSS-JLOCXQCDSA-N	1	0	356.470	1.201	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC000976601020	803604675	/nfs/dbraw/zinc/60/46/75/803604675.db2.gz	IKRBDMPGMYCJRM-OLOXDWRXSA-N	1	0	353.894	1.678	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]C[C@H](O)COC)C2)CCC1	ZINC001112525562	803611711	/nfs/dbraw/zinc/61/17/11/803611711.db2.gz	YYSUUKLOQBEALQ-ZWOKBUDYSA-N	1	0	350.503	1.958	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cn(CCC[NH3+])nn2)cc1	ZINC000423053770	814955030	/nfs/dbraw/zinc/95/50/30/814955030.db2.gz	SWSKISKYUJDMRQ-UHFFFAOYSA-N	1	0	368.441	1.693	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1CC	ZINC000976658945	803677430	/nfs/dbraw/zinc/67/74/30/803677430.db2.gz	XIUTUMWMDYXJGV-ZXXIGWHRSA-N	1	0	361.486	1.025	20	30		FDEDRO
C=CC[C@]1(C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CCC[NH2+]1	ZINC000662850906	803700603	/nfs/dbraw/zinc/70/06/03/803700603.db2.gz	SMGIHTADSGCIOZ-LLGFUMIMSA-N	1	0	367.449	1.328	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@H](C[NH2+]C)C1	ZINC000423121076	814965791	/nfs/dbraw/zinc/96/57/91/814965791.db2.gz	IBFYZAXFLHTTSF-GOSISDBHSA-N	1	0	356.470	1.755	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1	ZINC000423124499	814966965	/nfs/dbraw/zinc/96/69/65/814966965.db2.gz	MOTKNRVMJFOSRF-ROUUACIJSA-N	1	0	354.454	1.365	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1	ZINC000423128287	814968040	/nfs/dbraw/zinc/96/80/40/814968040.db2.gz	QATJPWRQKIRYBU-QGZVFWFLSA-N	1	0	356.470	1.884	20	30		FDEDRO
C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1	ZINC000423153951	814976197	/nfs/dbraw/zinc/97/61/97/814976197.db2.gz	OGNRXSXRSQKRTO-FQEVSTJZSA-N	1	0	370.453	1.125	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1	ZINC000423172729	814987948	/nfs/dbraw/zinc/98/79/48/814987948.db2.gz	UWMZXMAACLKJSQ-WBVHZDCISA-N	1	0	359.470	1.796	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2cccc(C#N)c2)C1	ZINC001027447279	804088106	/nfs/dbraw/zinc/08/81/06/804088106.db2.gz	GAAIVDMWHJICLV-IPELMVKDSA-N	1	0	357.454	1.785	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1	ZINC000423189604	814995512	/nfs/dbraw/zinc/99/55/12/814995512.db2.gz	PTFXAGCKNWERHI-OAQYLSRUSA-N	1	0	366.465	1.675	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1	ZINC000423190220	814995925	/nfs/dbraw/zinc/99/59/25/814995925.db2.gz	QOQSMVFOVGBRQJ-HNNXBMFYSA-N	1	0	354.454	1.659	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1	ZINC000423193598	814996949	/nfs/dbraw/zinc/99/69/49/814996949.db2.gz	XLZMYCXVNDVGNP-CRAIPNDOSA-N	1	0	354.454	1.659	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2cnnn2)C1	ZINC001087421290	804283495	/nfs/dbraw/zinc/28/34/95/804283495.db2.gz	XBAMFTPPGULONO-QZTJIDSGSA-N	1	0	354.458	1.614	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](C(=O)OC(C)(C)C)c2ccnn2C)CC1	ZINC000843730007	815027080	/nfs/dbraw/zinc/02/70/80/815027080.db2.gz	UASMZMHNVPUSPU-MRXNPFEDSA-N	1	0	360.458	1.264	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1	ZINC000977293738	804704247	/nfs/dbraw/zinc/70/42/47/804704247.db2.gz	IOLPJCGKSXCFMO-IGERKEGBSA-N	1	0	366.465	1.064	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[N@@H+](CCc2ccnn2C)CC1(C)C	ZINC000977318161	804749563	/nfs/dbraw/zinc/74/95/63/804749563.db2.gz	QMOOFQQQEOMFGH-BZSNNMDCSA-N	1	0	360.502	1.770	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1	ZINC000423130369	804869918	/nfs/dbraw/zinc/86/99/18/804869918.db2.gz	RYOIILKEEXCYOO-FQEVSTJZSA-N	1	0	354.454	1.651	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]2CN(C)C(=O)[C@@H]2C[C@H]2C2CCC2)CC1	ZINC000977786658	804931191	/nfs/dbraw/zinc/93/11/91/804931191.db2.gz	HHQHBNNTWAXFTK-SLFFLAALSA-N	1	0	371.525	1.827	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC#CCOC)C2)c1	ZINC001112527277	805153353	/nfs/dbraw/zinc/15/33/53/805153353.db2.gz	WQTQHONJATYTOM-FPOVZHCZSA-N	1	0	351.450	1.545	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1	ZINC000978140397	805215414	/nfs/dbraw/zinc/21/54/14/805215414.db2.gz	BWCFSCXPKJAAKM-ATZDWAIDSA-N	1	0	353.466	1.681	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]2CN(C)C(=O)[C@]23C[C@H]2CCC3)CC1	ZINC000978153952	805242135	/nfs/dbraw/zinc/24/21/35/805242135.db2.gz	WGXVUUIAWWENHT-DBXWQHBBSA-N	1	0	357.498	1.581	20	30		FDEDRO
C[C@H]1C[C@@H](CCNC(=O)NCC(=O)NCC#N)C[N@@H+]1Cc1ccccc1	ZINC000511907104	805290042	/nfs/dbraw/zinc/29/00/42/805290042.db2.gz	RNZFQJGQLRLINK-DOTOQJQBSA-N	1	0	357.458	1.226	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]21	ZINC000978298891	805348476	/nfs/dbraw/zinc/34/84/76/805348476.db2.gz	ZWLAXNVOICAHLH-FLTXXLLZSA-N	1	0	355.438	1.156	20	30		FDEDRO
C#CCN(Cc1ccc(F)cc1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000104800638	805355058	/nfs/dbraw/zinc/35/50/58/805355058.db2.gz	STMMNYFRCCQMEN-QGZVFWFLSA-N	1	0	374.460	1.558	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCN2CCCC2=O)C1	ZINC001027612642	805366896	/nfs/dbraw/zinc/36/68/96/805366896.db2.gz	MRWCZAGRDHCNAF-AOIWGVFYSA-N	1	0	363.502	1.513	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(CF)CC1)C2	ZINC001112527670	805560691	/nfs/dbraw/zinc/56/06/91/805560691.db2.gz	QXAQFJFUMPKHOS-DOXZYTNZSA-N	1	0	351.466	1.645	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CCN1Cc1ccccc1	ZINC000418593603	806989980	/nfs/dbraw/zinc/98/99/80/806989980.db2.gz	MIVBEPHGBAWLRN-MOPGFXCFSA-N	1	0	355.486	1.923	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOC)CC[C@@H]1c1ccccc1	ZINC001087429817	807017382	/nfs/dbraw/zinc/01/73/82/807017382.db2.gz	FEKQLNREQONYAX-NJYVYQBISA-N	1	0	369.509	1.705	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)c1	ZINC000980473738	807020648	/nfs/dbraw/zinc/02/06/48/807020648.db2.gz	TYYLEHNGCJPATC-DSLXNQLJSA-N	1	0	368.481	1.418	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CN2CCCNC2=O)C1	ZINC001087431621	807200802	/nfs/dbraw/zinc/20/08/02/807200802.db2.gz	ZIJCEYSQYFAFBQ-RTBURBONSA-N	1	0	370.497	1.952	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3ccco3)C2)CC1	ZINC000980804738	807200881	/nfs/dbraw/zinc/20/08/81/807200881.db2.gz	WZFKHHNYHFTBRJ-DOTOQJQBSA-N	1	0	357.454	1.640	20	30		FDEDRO
CC1(C)CN(C(=O)C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)CC[NH2+]1	ZINC000423528506	815101342	/nfs/dbraw/zinc/10/13/42/815101342.db2.gz	OLBUYCSGSOFVDX-SJORKVTESA-N	1	0	354.454	1.495	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1	ZINC000423533042	815105533	/nfs/dbraw/zinc/10/55/33/815105533.db2.gz	WMFQWOZCLHZKHQ-PJVZLEMVSA-N	1	0	366.465	1.480	20	30		FDEDRO
C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1	ZINC000423515536	815108363	/nfs/dbraw/zinc/10/83/63/815108363.db2.gz	ADWRFUGZAKUICN-CGTJXYLNSA-N	1	0	354.454	1.353	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@H]1c1ccccc1	ZINC001211696921	807333246	/nfs/dbraw/zinc/33/32/46/807333246.db2.gz	QCUHQGGXFLEJCG-FUHWJXTLSA-N	1	0	350.422	1.335	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1	ZINC001087432850	807334797	/nfs/dbraw/zinc/33/47/97/807334797.db2.gz	LWHMLCLELOIYTG-QZTJIDSGSA-N	1	0	366.465	1.944	20	30		FDEDRO
C=CCN(C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@@H](C)COC	ZINC000663546455	807423191	/nfs/dbraw/zinc/42/31/91/807423191.db2.gz	NQRONEMSKYJGTQ-INIZCTEOSA-N	1	0	361.490	1.566	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3cocn3)C2)CC1	ZINC000981037999	807453627	/nfs/dbraw/zinc/45/36/27/807453627.db2.gz	XFFKTDUFIYOJEE-GOEBONIOSA-N	1	0	358.442	1.035	20	30		FDEDRO
CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1	ZINC000423563542	815120257	/nfs/dbraw/zinc/12/02/57/815120257.db2.gz	ROXCIOYJBRFHKZ-ROUUACIJSA-N	1	0	372.469	1.290	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(CF)CCC1)C2	ZINC001112532688	807477961	/nfs/dbraw/zinc/47/79/61/807477961.db2.gz	QNQAYVJJFUMVIL-FTRWYGJKSA-N	1	0	363.477	1.482	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)c1	ZINC000981111123	807567656	/nfs/dbraw/zinc/56/76/56/807567656.db2.gz	CVAZSTZRNPDYJM-XKQJLSEDSA-N	1	0	369.469	1.243	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1	ZINC000981178304	807656086	/nfs/dbraw/zinc/65/60/86/807656086.db2.gz	QYMOYSPVCQGKMI-HDMKZQKVSA-N	1	0	371.485	1.775	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1	ZINC000981188773	807669759	/nfs/dbraw/zinc/66/97/59/807669759.db2.gz	PZXOUYAEJJBJIW-YSVLISHTSA-N	1	0	357.458	1.385	20	30		FDEDRO
C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	ZINC001028043562	807682828	/nfs/dbraw/zinc/68/28/28/807682828.db2.gz	RSNZVZXYTCNXCT-KURKYZTESA-N	1	0	351.491	1.023	20	30		FDEDRO
C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1	ZINC000423575389	815144958	/nfs/dbraw/zinc/14/49/58/815144958.db2.gz	VOHGCOMUEVQPHR-CQSZACIVSA-N	1	0	354.454	1.635	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C(=O)N(Cc2ccc(C#N)cc2)C2CC2)C[C@H]1C[NH3+]	ZINC000423575571	815144998	/nfs/dbraw/zinc/14/49/98/815144998.db2.gz	WAVGLQWDISLERE-RHSMWYFYSA-N	1	0	354.454	1.493	20	30		FDEDRO
C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000423593569	815165054	/nfs/dbraw/zinc/16/50/54/815165054.db2.gz	MMCKCDSYYLVIBC-MRXNPFEDSA-N	1	0	370.453	1.138	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3[nH]ccc3C)C2)CC1	ZINC000981544479	808115241	/nfs/dbraw/zinc/11/52/41/808115241.db2.gz	LRVSKSYZPRXJKS-FUHWJXTLSA-N	1	0	370.497	1.683	20	30		FDEDRO
C[C@H](CN1CCOCC1)[N@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000279062448	808239840	/nfs/dbraw/zinc/23/98/40/808239840.db2.gz	ISEBCSNURBTXHN-VQIMIIECSA-N	1	0	356.470	1.706	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c(C)c[nH]c1CC(N)=O)C2	ZINC001112533575	808734565	/nfs/dbraw/zinc/73/45/65/808734565.db2.gz	RUSOENDQHYOXSN-YWZLYKJASA-N	1	0	356.470	1.206	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)c1C#N	ZINC000279315789	808915771	/nfs/dbraw/zinc/91/57/71/808915771.db2.gz	OAONNBNENVKMDK-HNNXBMFYSA-N	1	0	370.453	1.517	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](C[C@@H](O)Cc2ccccc2)CC1	ZINC000981992827	808945266	/nfs/dbraw/zinc/94/52/66/808945266.db2.gz	KEFLLCREKPEHFA-ZCNNSNEGSA-N	1	0	358.482	1.715	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C)C2)C[C@H]1c1ccccc1	ZINC001211705707	809055849	/nfs/dbraw/zinc/05/58/49/809055849.db2.gz	OZXAOJLWGJORHV-NZSAHSFTSA-N	1	0	353.466	1.462	20	30		FDEDRO
C#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C(=O)N2CCC[C@@H](C)C2)C1	ZINC001087439122	809074505	/nfs/dbraw/zinc/07/45/05/809074505.db2.gz	GKRXRRQHRIVUPK-MISYRCLQSA-N	1	0	367.493	1.852	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1	ZINC000418665624	809119645	/nfs/dbraw/zinc/11/96/45/809119645.db2.gz	JRBVLJUHMAHWJF-WKILWMFISA-N	1	0	356.474	1.550	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCC[C@H]1CCC[NH2+]1	ZINC000418781770	809210011	/nfs/dbraw/zinc/21/00/11/809210011.db2.gz	ZNTOUNWAFTVING-LSDHHAIUSA-N	1	0	357.462	1.101	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1	ZINC000418834737	809256082	/nfs/dbraw/zinc/25/60/82/809256082.db2.gz	RVVFVGOYWYCKPX-XMTFNYHQSA-N	1	0	357.454	1.037	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@H]1c1ccccc1	ZINC001211720943	809275244	/nfs/dbraw/zinc/27/52/44/809275244.db2.gz	UAPJXVJGQTTXNZ-ZWKOTPCHSA-N	1	0	369.465	1.686	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NCCSCc1ccccc1C#N)[C@H]1CCC[NH2+]C1	ZINC000418923869	809319354	/nfs/dbraw/zinc/31/93/54/809319354.db2.gz	ONJUUJMNAKRGJX-ZBFHGGJFSA-N	1	0	374.510	1.412	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C	ZINC000418940776	809331250	/nfs/dbraw/zinc/33/12/50/809331250.db2.gz	UGSGPHHBJIDJIW-DZGCQCFKSA-N	1	0	361.442	1.097	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C	ZINC000418940779	809331391	/nfs/dbraw/zinc/33/13/91/809331391.db2.gz	UGSGPHHBJIDJIW-ZFWWWQNUSA-N	1	0	361.442	1.097	20	30		FDEDRO
C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1	ZINC000419005381	809381014	/nfs/dbraw/zinc/38/10/14/809381014.db2.gz	PHADLOQENLYGDL-STQMWFEESA-N	1	0	355.398	1.906	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CN(CC)CCO2)C[C@H]1c1ccccc1	ZINC001211726266	809404477	/nfs/dbraw/zinc/40/44/77/809404477.db2.gz	SWRORGASOIUBOC-XUVXKRRUSA-N	1	0	357.498	1.867	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C[C@H]1[NH3+]	ZINC000419031557	809434446	/nfs/dbraw/zinc/43/44/46/809434446.db2.gz	JDSFMAIPJHHXCD-LHUBUQBQSA-N	1	0	370.453	1.170	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2cncn2C)C1	ZINC001087441416	809455618	/nfs/dbraw/zinc/45/56/18/809455618.db2.gz	GEHJZSJXGIBXRI-WOJBJXKFSA-N	1	0	350.466	1.960	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)NC(=O)NC)C[C@H]1c1ccccc1	ZINC001211730099	809674733	/nfs/dbraw/zinc/67/47/33/809674733.db2.gz	OKSNMMZOAORIAX-DLBZAZTESA-N	1	0	356.470	1.302	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1	ZINC001087442838	809767795	/nfs/dbraw/zinc/76/77/95/809767795.db2.gz	DUDGXMFZWFSFPW-IEBWSBKVSA-N	1	0	366.465	1.944	20	30		FDEDRO
CCN1CCO[C@H](C(=O)N[C@@H]2CN(CC#N)CC[C@@H]2c2ccccc2)C1	ZINC001087443893	809804726	/nfs/dbraw/zinc/80/47/26/809804726.db2.gz	LXLPFMRYVSDBFL-QRVBRYPASA-N	1	0	356.470	1.205	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](Cc2c3ccccc3[nH]c2C(=O)OC)CC1	ZINC000893972869	809838908	/nfs/dbraw/zinc/83/89/08/809838908.db2.gz	GUAGIZIXQJNRLP-UHFFFAOYSA-N	1	0	353.422	1.916	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1	ZINC001167912213	809898623	/nfs/dbraw/zinc/89/86/23/809898623.db2.gz	BXLHIMKHSPMULU-JCGIZDLHSA-N	1	0	357.454	1.033	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CN2CCCC2=O)C1	ZINC001087452688	809972391	/nfs/dbraw/zinc/97/23/91/809972391.db2.gz	GMXGCYJUMXLZCX-QZTJIDSGSA-N	1	0	359.445	1.908	20	30		FDEDRO
C=CCN(C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)[C@H](C)COC	ZINC000663876420	809973008	/nfs/dbraw/zinc/97/30/08/809973008.db2.gz	GHTQGUYOBIIBDI-MRXNPFEDSA-N	1	0	352.523	1.778	20	30		FDEDRO
C#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cc[n+]([O-])cc2)C1	ZINC001087452351	809975566	/nfs/dbraw/zinc/97/55/66/809975566.db2.gz	PFRKYJBVLWLIOU-RTBURBONSA-N	1	0	353.397	1.680	20	30		FDEDRO
CC#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CN2CCCC2=O)C1	ZINC001087453020	810000631	/nfs/dbraw/zinc/00/06/31/810000631.db2.gz	XTBMQDAZEOBTBO-RTBURBONSA-N	1	0	371.456	1.746	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[C@@H]2CCNC2=O)C1	ZINC001087455696	810065091	/nfs/dbraw/zinc/06/50/91/810065091.db2.gz	IPOLUUWUJGUKGK-QXAKKESOSA-N	1	0	371.456	1.649	20	30		FDEDRO
C#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ccc(=O)n(C)c2)C1	ZINC001087456269	810101240	/nfs/dbraw/zinc/10/12/40/810101240.db2.gz	MGUVRIFNQSQYNT-RTBURBONSA-N	1	0	367.424	1.746	20	30		FDEDRO
C=CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1	ZINC001087457484	810201092	/nfs/dbraw/zinc/20/10/92/810201092.db2.gz	CLLXIJAHFBUFGL-BRWVUGGUSA-N	1	0	360.433	1.357	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@]1(C)C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC000982557144	810335029	/nfs/dbraw/zinc/33/50/29/810335029.db2.gz	LHRFMRIRKJAXBH-OVQGTLEDSA-N	1	0	366.465	1.350	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CCCC[C@H]3[NH3+])C2=O)cc1	ZINC000424467503	815365362	/nfs/dbraw/zinc/36/53/62/815365362.db2.gz	WFRIJKBKNHABFQ-ZACQAIPSSA-N	1	0	355.442	1.623	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2cncc(OC)n2)C1	ZINC001028549675	810618957	/nfs/dbraw/zinc/61/89/57/810618957.db2.gz	UTXGJWOFARUPRM-UAGQMJEPSA-N	1	0	360.458	1.405	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1C[C@@H](NC(=O)c2ccsc2)[C@H](OC)C1	ZINC001211822433	810752424	/nfs/dbraw/zinc/75/24/24/810752424.db2.gz	ATBOQUUARYDQAM-HZPDHXFCSA-N	1	0	363.483	1.378	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@@H+](CCO[C@@H]4CC4(F)F)C[C@H]32)c1	ZINC001075658458	810908015	/nfs/dbraw/zinc/90/80/15/810908015.db2.gz	DBUGIVMVXMUFHJ-NWANDNLSSA-N	1	0	350.369	1.457	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCN(c2ncccn2)CC1	ZINC000261605366	811283915	/nfs/dbraw/zinc/28/39/15/811283915.db2.gz	DFTZTFPXGFYOBJ-BBWFWOEESA-N	1	0	370.501	1.522	20	30		FDEDRO
C[NH+]=C(N[C@@H]1C[C@H]1Cc1ccccc1)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000261613187	811285478	/nfs/dbraw/zinc/28/54/78/811285478.db2.gz	AKWWEHBZXCREMA-XUVXKRRUSA-N	1	0	356.514	1.847	20	30		FDEDRO
CC[NH+]=C(NCc1cn2c(n1)CCCC2)N1CCO[C@H](c2cnn(C)c2)C1	ZINC000261820986	811326423	/nfs/dbraw/zinc/32/64/23/811326423.db2.gz	UMWXKUCIJNZNHC-KRWDZBQOSA-N	1	0	371.489	1.492	20	30		FDEDRO
CNC(=O)c1cccc(CNC(=[NH+]C)N2CC[C@@H](Oc3ccccn3)C2)c1	ZINC000261961025	811353703	/nfs/dbraw/zinc/35/37/03/811353703.db2.gz	KEWHHBITDDKXID-QGZVFWFLSA-N	1	0	367.453	1.670	20	30		FDEDRO
NC(=O)C1CCN(c2ncccc2CNC(=[NH2+])NC2CCCCCC2)CC1	ZINC000261984916	811361049	/nfs/dbraw/zinc/36/10/49/811361049.db2.gz	JOQWROKPMFYTFG-UHFFFAOYSA-N	1	0	372.517	1.910	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1	ZINC000982826662	811383634	/nfs/dbraw/zinc/38/36/34/811383634.db2.gz	ZAHJAYXWSKVUOP-SZMVWBNQSA-N	1	0	363.502	1.274	20	30		FDEDRO
[NH2+]=C(NC[C@H]1COC2(CCCCCC2)O1)N1CCN(c2ncccn2)CC1	ZINC000262126604	811394512	/nfs/dbraw/zinc/39/45/12/811394512.db2.gz	KETCANQWEZVBPV-INIZCTEOSA-N	1	0	374.489	1.379	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cc2nnc(C)[nH]2)C1	ZINC001087464832	811397591	/nfs/dbraw/zinc/39/75/91/811397591.db2.gz	GWZVANVNTHYRRK-IAGOWNOFSA-N	1	0	357.433	1.955	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)N1CCN(C(=O)c2ccco2)CC1	ZINC000262406311	811460167	/nfs/dbraw/zinc/46/01/67/811460167.db2.gz	ONWJKBVIJUGGKG-FVQBIDKESA-N	1	0	360.458	1.426	20	30		FDEDRO
C[NH+]=C(NCCc1c(C)noc1C)N1CCN(C(=O)c2ccco2)CC1	ZINC000262783409	811551584	/nfs/dbraw/zinc/55/15/84/811551584.db2.gz	LWJWAXIDHOXMRY-UHFFFAOYSA-N	1	0	359.430	1.460	20	30		FDEDRO
C[C@@]1(C(N)=O)CC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000280521926	811844755	/nfs/dbraw/zinc/84/47/55/811844755.db2.gz	DZEBHLFVVFUYNT-QGZVFWFLSA-N	1	0	367.371	1.370	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1	ZINC000366504567	813392153	/nfs/dbraw/zinc/39/21/53/813392153.db2.gz	DIZDNZHJASZHBG-XYJFISCASA-N	1	0	352.438	1.748	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C	ZINC000420044477	813420548	/nfs/dbraw/zinc/42/05/48/813420548.db2.gz	TTZMIHPSILNDLK-YOEHRIQHSA-N	1	0	372.469	1.524	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+]	ZINC000420069838	813436333	/nfs/dbraw/zinc/43/63/33/813436333.db2.gz	UYIOSXTYRQRYGM-QZTJIDSGSA-N	1	0	372.469	1.167	20	30		FDEDRO
C[C@]1(CNC(=O)C(=O)N(Cc2ccc(C#N)cc2)C2CC2)CCC[NH2+]C1	ZINC000420109527	813465215	/nfs/dbraw/zinc/46/52/15/813465215.db2.gz	VJEZHEYUCJZYCX-FQEVSTJZSA-N	1	0	354.454	1.555	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)CC[NH2+]1	ZINC000420119849	813481027	/nfs/dbraw/zinc/48/10/27/813481027.db2.gz	JMSDLGUBEMVXTF-DDBAPUKQSA-N	1	0	354.454	1.541	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N[C@@H]1CCc2nc(C)nn2C1	ZINC000261815750	813525046	/nfs/dbraw/zinc/52/50/46/813525046.db2.gz	TWWFTNKEDJLFSF-WTTBNOFXSA-N	1	0	358.490	1.414	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1	ZINC000982940775	813567410	/nfs/dbraw/zinc/56/74/10/813567410.db2.gz	MNDXEUQMOFQWOS-SZMVWBNQSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1	ZINC000982940772	813567416	/nfs/dbraw/zinc/56/74/16/813567416.db2.gz	MNDXEUQMOFQWOS-NJAFHUGGSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1	ZINC000982942979	813573027	/nfs/dbraw/zinc/57/30/27/813573027.db2.gz	UBIABYVWUPBOIB-JQHSSLGASA-N	1	0	363.502	1.274	20	30		FDEDRO
O=C(C[C@H]1COC(=O)C1)N1CC[C@H]2CN(CC#Cc3ccccc3)C[C@H]21	ZINC001075685308	813791173	/nfs/dbraw/zinc/79/11/73/813791173.db2.gz	VLMGRMAVJVPZAQ-CEXWTWQISA-N	1	0	352.434	1.524	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1C#N	ZINC000421293819	814079557	/nfs/dbraw/zinc/07/95/57/814079557.db2.gz	FDSHPOKUEMKPNY-MRXNPFEDSA-N	1	0	358.442	1.837	20	30		FDEDRO
CC[NH+]=C(NC[C@H]1COCCO1)N1CCN(c2cc(F)ccc2F)CC1	ZINC000261841082	814189888	/nfs/dbraw/zinc/18/98/88/814189888.db2.gz	WIPOYYYGKCOYQK-HNNXBMFYSA-N	1	0	368.428	1.468	20	30		FDEDRO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000422091537	814399717	/nfs/dbraw/zinc/39/97/17/814399717.db2.gz	JOZKQWHDUJMUGP-ROUUACIJSA-N	1	0	355.482	1.891	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(=[NH2+])NCc2ccc(OC)c(OC)c2)[C@@]12CCCO2	ZINC000273465587	814795119	/nfs/dbraw/zinc/79/51/19/814795119.db2.gz	JHWXLXTZGRRLFG-SCTDSRPQSA-N	1	0	363.458	1.835	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)CC#N)C[N@@H+]1Cc1ccccc1	ZINC000422373120	814813071	/nfs/dbraw/zinc/81/30/71/814813071.db2.gz	CTFNEAWQSJHQPR-DOTOQJQBSA-N	1	0	356.470	1.822	20	30		FDEDRO
C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)C(=C)Cl)C[C@]2(C)C1	ZINC001101249583	815610096	/nfs/dbraw/zinc/61/00/96/815610096.db2.gz	CKOHBMKFKFYQMT-KDOFPFPSSA-N	1	0	351.878	1.295	20	30		FDEDRO
C[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21)n1cncn1	ZINC001075705715	815663560	/nfs/dbraw/zinc/66/35/60/815663560.db2.gz	VQKIWUWKTCVZQF-JCGIZDLHSA-N	1	0	350.426	1.444	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(Cc2nnc(C(C)(C)C)o2)C1	ZINC001028812573	815815448	/nfs/dbraw/zinc/81/54/48/815815448.db2.gz	GRDLFGPXEYJHTI-KFWWJZLASA-N	1	0	362.474	1.896	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NCC1CCC1	ZINC001167956986	815851690	/nfs/dbraw/zinc/85/16/90/815851690.db2.gz	RLHKJCFQHRGMGY-WMZOPIPTSA-N	1	0	351.491	1.370	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(-c3ccn(C)c3)[nH]n2)c1C#N	ZINC000514738812	815951654	/nfs/dbraw/zinc/95/16/54/815951654.db2.gz	KHSCHJBNFYVLMM-UHFFFAOYSA-N	1	0	352.402	1.414	20	30		FDEDRO
COc1cccc([C@@H]2[C@@H]([NH2+]C[C@@H](O)CN(C)CCC#N)CCN2C2CC2)c1	ZINC000514788800	815979669	/nfs/dbraw/zinc/97/96/69/815979669.db2.gz	YYKMXIACEFRUOT-HLAWJBBLSA-N	1	0	372.513	1.769	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000435640130	816117076	/nfs/dbraw/zinc/11/70/76/816117076.db2.gz	XDNKIWNVMRGZFD-CYBMUJFWSA-N	1	0	374.416	1.253	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC(=O)N2CCCC2)C1	ZINC001028855588	816231494	/nfs/dbraw/zinc/23/14/94/816231494.db2.gz	HUMTWTCEBURPGT-AOIWGVFYSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCCN2CCCC2=O)C1	ZINC001028861023	816291201	/nfs/dbraw/zinc/29/12/01/816291201.db2.gz	INPRWSPRNOMHMM-AOIWGVFYSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCN(Cc2cn(C(C)C)nn2)C1	ZINC001028862416	816298881	/nfs/dbraw/zinc/29/88/81/816298881.db2.gz	RCFGFJXUJFWWOZ-NJAFHUGGSA-N	1	0	361.490	1.778	20	30		FDEDRO
C=CCn1cc(CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)nn1	ZINC000425499942	816381758	/nfs/dbraw/zinc/38/17/58/816381758.db2.gz	CHLHDOOAMGOIAL-CRAIPNDOSA-N	1	0	354.458	1.784	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1C(F)(F)F	ZINC001112136943	816470128	/nfs/dbraw/zinc/47/01/28/816470128.db2.gz	MWCKAHPMZQJIRR-VXGBXAGGSA-N	1	0	359.348	1.937	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)cc1	ZINC000425550236	816521133	/nfs/dbraw/zinc/52/11/33/816521133.db2.gz	WGRCPBIKWXWYQN-HXUWFJFHSA-N	1	0	371.481	1.722	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC1	ZINC000516946978	817120854	/nfs/dbraw/zinc/12/08/54/817120854.db2.gz	NVHHHYWNAYMRJU-UHFFFAOYSA-N	1	0	370.453	1.910	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc1	ZINC000425814956	817121968	/nfs/dbraw/zinc/12/19/68/817121968.db2.gz	CRDAMFAVUFNRSG-DOTOQJQBSA-N	1	0	370.453	1.094	20	30		FDEDRO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1	ZINC000425875341	817267052	/nfs/dbraw/zinc/26/70/52/817267052.db2.gz	SVYPOMOBQKGEAH-HOTGVXAUSA-N	1	0	356.470	1.926	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1	ZINC000425880833	817288063	/nfs/dbraw/zinc/28/80/63/817288063.db2.gz	CCNMJBVCZNXDAE-XWTMOSNGSA-N	1	0	357.454	1.255	20	30		FDEDRO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1	ZINC000425909980	817365669	/nfs/dbraw/zinc/36/56/69/817365669.db2.gz	SAOOTSMZBRUAKW-JKSUJKDBSA-N	1	0	356.470	1.926	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1	ZINC001112142173	817690326	/nfs/dbraw/zinc/69/03/26/817690326.db2.gz	PUEVFQDFPULMMB-CHWSQXEVSA-N	1	0	352.397	1.577	20	30		FDEDRO
C[NH+]=C(NCC1(C2CC2)CC1)N1CCN([C@H](C)C(=O)N2CCCC2)CC1	ZINC000261971706	817874581	/nfs/dbraw/zinc/87/45/81/817874581.db2.gz	MZVPBDQIIRYLDP-MRXNPFEDSA-N	1	0	361.534	1.381	20	30		FDEDRO
C[NH+]=C(NCC(=O)N1CCCc2ccccc21)N1CC[C@@]2(CCOC2)C1	ZINC000261973932	817875748	/nfs/dbraw/zinc/87/57/48/817875748.db2.gz	NHMHGAJIJXYKEZ-HXUWFJFHSA-N	1	0	356.470	1.654	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(=O)N(C)C)cc2)CC1	ZINC000518517082	817906041	/nfs/dbraw/zinc/90/60/41/817906041.db2.gz	FAKQIMWWWCLUGR-UHFFFAOYSA-N	1	0	372.469	1.484	20	30		FDEDRO
C[NH+]=C(NCC1CCN(C(C)=O)CC1)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000261983613	817909480	/nfs/dbraw/zinc/90/94/80/817909480.db2.gz	RQLWTPYLOVBCLN-UHFFFAOYSA-N	1	0	365.522	1.152	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)c2cc[nH]n2)CC1	ZINC000983633901	818315975	/nfs/dbraw/zinc/31/59/75/818315975.db2.gz	RJQHCFPXYKCTAI-WBVHZDCISA-N	1	0	371.485	1.112	20	30		FDEDRO
C[C@H]1[C@H](NC(=O)COc2cccc(Br)c2C#N)CC[N@@H+]1C	ZINC000928432093	818394845	/nfs/dbraw/zinc/39/48/45/818394845.db2.gz	ISNJFFDZYLUBHQ-GXFFZTMASA-N	1	0	352.232	1.908	20	30		FDEDRO
Cc1cc(C(=O)NCC2CC[NH+](CCO)CC2)nn1-c1cccc(C#N)c1	ZINC000507311535	818721869	/nfs/dbraw/zinc/72/18/69/818721869.db2.gz	GNSSFSVEGUJIEG-UHFFFAOYSA-N	1	0	367.453	1.487	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](C[C@@H](O)c3ccc(F)cc3F)C[C@H]21	ZINC001075770998	819012745	/nfs/dbraw/zinc/01/27/45/819012745.db2.gz	QSIVRHJLLSJCHB-GDIGMMSISA-N	1	0	360.404	1.944	20	30		FDEDRO
C[NH+](C)CCCOc1cnccc1CNC(=O)N1CCO[C@@](C)(C#N)C1	ZINC000894885191	819104453	/nfs/dbraw/zinc/10/44/53/819104453.db2.gz	DYIPVQAMRXIWSK-SFHVURJKSA-N	1	0	361.446	1.236	20	30		FDEDRO
COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000520168484	819234108	/nfs/dbraw/zinc/23/41/08/819234108.db2.gz	AMKSMOAJFOWQNF-YJBOKZPZSA-N	1	0	372.469	1.038	20	30		FDEDRO
O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CCN(Cc2ccccc2)C1=O	ZINC000328669618	819527905	/nfs/dbraw/zinc/52/79/05/819527905.db2.gz	FUULFRGBSUEGFB-SJLPKXTDSA-N	1	0	356.470	1.775	20	30		FDEDRO
O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN(C2CC2)C(=O)C1	ZINC000328675963	819528476	/nfs/dbraw/zinc/52/84/76/819528476.db2.gz	RFUXGEXQGLGNKT-QGZVFWFLSA-N	1	0	356.470	1.729	20	30		FDEDRO
CC(C)[C@H](CNC(=O)N[C@@H]1CCC(=O)NC12CCC2)[NH+]1CCN(C)CC1	ZINC000328724288	819532297	/nfs/dbraw/zinc/53/22/97/819532297.db2.gz	YKYCXZXPTNQUEX-JKSUJKDBSA-N	1	0	365.522	1.804	20	30		FDEDRO
COc1cccc([C@H](CNC(=O)N2CC(=O)N(C)[C@@H](C)C2)[NH+]2CCCC2)c1	ZINC000328723696	819532504	/nfs/dbraw/zinc/53/25/04/819532504.db2.gz	SJHJZUVWUKTXOO-YJBOKZPZSA-N	1	0	374.485	1.909	20	30		FDEDRO
Cc1c([C@H]2OCC[C@@H]2C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cnn1C	ZINC000328704667	819537055	/nfs/dbraw/zinc/53/70/55/819537055.db2.gz	KRXBWJWUNQJKHX-RDJZCZTQSA-N	1	0	363.506	1.789	20	30		FDEDRO
O=C(CN1C(=O)Cn2c(cc3ccccc32)C1=O)N[C@H]1CC[N@@H+](C2CC2)C1	ZINC000328739786	819542112	/nfs/dbraw/zinc/54/21/12/819542112.db2.gz	MUJYXOPVXOWCKY-AWEZNQCLSA-N	1	0	366.421	1.817	20	30		FDEDRO
CNC(=O)NC1CN(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1	ZINC000328726470	819548508	/nfs/dbraw/zinc/54/85/08/819548508.db2.gz	ZQMXXGZZXYMFRV-KRWDZBQOSA-N	1	0	359.474	1.773	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1	ZINC000328800730	819559614	/nfs/dbraw/zinc/55/96/14/819559614.db2.gz	IRNAVEFEUONEJC-QGZVFWFLSA-N	1	0	362.449	1.982	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CNC(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1	ZINC000328800728	819560025	/nfs/dbraw/zinc/56/00/25/819560025.db2.gz	IRNAVEFEUONEJC-KRWDZBQOSA-N	1	0	362.449	1.982	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2OCCN(CC(=O)Nc3cccc(N4CCCC4=O)c3)[C@H]2C1	ZINC000328917970	819592581	/nfs/dbraw/zinc/59/25/81/819592581.db2.gz	ACXVLLVPPMVURQ-ROUUACIJSA-N	1	0	372.469	1.806	20	30		FDEDRO
COC[C@@H]1C[C@H](OC)CN1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000328991593	819606554	/nfs/dbraw/zinc/60/65/54/819606554.db2.gz	FPOOXECWOLPHHT-FJIDUMEYSA-N	1	0	369.506	1.404	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC(C)(C)OC(C)(C)C1	ZINC000331274394	819672309	/nfs/dbraw/zinc/67/23/09/819672309.db2.gz	NGJJIHCDEHQGGN-HNNXBMFYSA-N	1	0	368.522	1.733	20	30		FDEDRO
COc1cc(NC(=O)NCC2(O)CC[NH+](C)CC2)c(OC)c(C)c1OC	ZINC000331247694	819674883	/nfs/dbraw/zinc/67/48/83/819674883.db2.gz	QQEVIVQEMGOXLY-UHFFFAOYSA-N	1	0	367.446	1.803	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N(C)C[C@H]1CCN1C(=O)OC(C)(C)C	ZINC000895056499	819705492	/nfs/dbraw/zinc/70/54/92/819705492.db2.gz	MRMNWZVAUZPCOP-OAHLLOKOSA-N	1	0	352.479	1.592	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnn(C)c3C)[C@H]2CC)C1=O	ZINC001087504480	819763815	/nfs/dbraw/zinc/76/38/15/819763815.db2.gz	IKINQZINIGWWHC-GVDBMIGSSA-N	1	0	359.474	1.098	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1F	ZINC000459102048	819973898	/nfs/dbraw/zinc/97/38/98/819973898.db2.gz	AQBFHTQASKBULL-UHFFFAOYSA-N	1	0	360.433	1.951	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC000983915573	820063431	/nfs/dbraw/zinc/06/34/31/820063431.db2.gz	VRZONXMKMOXOLN-GKEYINFOSA-N	1	0	361.417	1.486	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)[C@H](CC)[NH+](C)C)c1	ZINC000983936638	820224798	/nfs/dbraw/zinc/22/47/98/820224798.db2.gz	PHVPJZVOJRMYBI-MNEFBYGVSA-N	1	0	370.497	1.760	20	30		FDEDRO
COC(=O)[C@H]1[C@@H](C(=O)OC)CCCN1CCC(=O)Nc1ccccc1C#N	ZINC000441633315	820226355	/nfs/dbraw/zinc/22/63/55/820226355.db2.gz	HDPPZURGOAXYEM-WMLDXEAASA-N	1	0	373.409	1.313	20	30		FDEDRO
N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1	ZINC000280836800	820296078	/nfs/dbraw/zinc/29/60/78/820296078.db2.gz	OTZDFARJUDDLQX-FQEVSTJZSA-N	1	0	366.465	1.811	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N[C@H](C)CN2CC[NH+](C)CC2)c(OC)c1	ZINC000520720434	820472949	/nfs/dbraw/zinc/47/29/49/820472949.db2.gz	LWPIGEHSQLARCS-MRXNPFEDSA-N	1	0	361.486	1.555	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000984040951	820643470	/nfs/dbraw/zinc/64/34/70/820643470.db2.gz	QQZMONWDALOGGY-FVQBIDKESA-N	1	0	357.458	1.290	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(c4ccccn4)C[C@H]3C)[C@@H]2C1	ZINC001075803896	820671187	/nfs/dbraw/zinc/67/11/87/820671187.db2.gz	JBPMDRKXRMSWOA-FCGDIQPGSA-N	1	0	352.482	1.710	20	30		FDEDRO
COc1cc(C#N)ccc1OCCCC(=O)N1CCN(CCO)[C@H](C)C1	ZINC000428135395	820914953	/nfs/dbraw/zinc/91/49/53/820914953.db2.gz	FLHNUTUKMZXGFC-OAHLLOKOSA-N	1	0	361.442	1.251	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)[C@@H]([NH3+])Cc3c[nH]c4ccccc34)CC2)c1	ZINC000438891971	821025032	/nfs/dbraw/zinc/02/50/32/821025032.db2.gz	WASTZUJUXOIEEG-SFHVURJKSA-N	1	0	374.448	1.653	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC[N@@H+]1C	ZINC000442152178	821070849	/nfs/dbraw/zinc/07/08/49/821070849.db2.gz	FFTDSYYJGPLJPZ-ZBFHGGJFSA-N	1	0	358.442	1.907	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)N[C@@H]3C[NH2+]CCC3(F)F)CC2)cc1	ZINC000521412311	821247031	/nfs/dbraw/zinc/24/70/31/821247031.db2.gz	ZTXBCUJNDBTKRR-MRXNPFEDSA-N	1	0	363.412	1.383	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H](C)n2cncn2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087546713	821271524	/nfs/dbraw/zinc/27/15/24/821271524.db2.gz	BVYCZZIZGJDNET-JCGIZDLHSA-N	1	0	352.442	1.880	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1CCO[C@H]1CC1(F)F	ZINC001087548613	821307452	/nfs/dbraw/zinc/30/74/52/821307452.db2.gz	FVCCLGDKGOPRLN-ZNMIVQPWSA-N	1	0	352.385	1.893	20	30		FDEDRO
C[NH+](C)Cc1cccc(CNC(=O)C(=O)NCc2ccc(CC#N)cc2)c1	ZINC000521873035	821381864	/nfs/dbraw/zinc/38/18/64/821381864.db2.gz	XEIIELINDONEND-UHFFFAOYSA-N	1	0	364.449	1.747	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)Cc2cccnc2C)C[C@H]1C(F)(F)F	ZINC001112164754	821439225	/nfs/dbraw/zinc/43/92/25/821439225.db2.gz	PTZLUUJCXLFIJP-HZPDHXFCSA-N	1	0	369.387	1.561	20	30		FDEDRO
C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)[C@H]1CC	ZINC001087624108	821787520	/nfs/dbraw/zinc/78/75/20/821787520.db2.gz	KJWKDHOCIUETNC-DGAVXFQQSA-N	1	0	350.381	1.878	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087687162	822040452	/nfs/dbraw/zinc/04/04/52/822040452.db2.gz	PQYUZFMRYTUYSB-YESZJQIVSA-N	1	0	355.442	1.051	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087729629	822261362	/nfs/dbraw/zinc/26/13/62/822261362.db2.gz	NDLVGCAFFALUGI-FUMNGEBKSA-N	1	0	367.493	1.909	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)Cc2nonc2C)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087780133	822430078	/nfs/dbraw/zinc/43/00/78/822430078.db2.gz	QRDDVALSMPYIAQ-PKOBYXMFSA-N	1	0	352.438	1.941	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3c[nH]nc3C3CC3)[C@H]2CC)C1=O	ZINC001087781827	822431496	/nfs/dbraw/zinc/43/14/96/822431496.db2.gz	HGKFNAGJULRDNN-BBWFWOEESA-N	1	0	371.485	1.657	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCN(CC=C)C3=O)[C@@H]2CC)nc1	ZINC001087802367	822462220	/nfs/dbraw/zinc/46/22/20/822462220.db2.gz	MHHQTMQZDTXLOC-UHOSZYNNSA-N	1	0	366.465	1.433	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCN(C(C)=O)C2)CCN1Cc1ccccc1C#N	ZINC001087812037	822475682	/nfs/dbraw/zinc/47/56/82/822475682.db2.gz	TZBHMMQTYAEEKK-HSALFYBXSA-N	1	0	368.481	1.896	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)C1=O	ZINC000984385066	822480314	/nfs/dbraw/zinc/48/03/14/822480314.db2.gz	RCDDTKOGPSSRAA-XABWRGDLSA-N	1	0	361.486	1.073	20	30		FDEDRO
N#Cc1ccc([C@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)C(N)=O)cc1	ZINC000522374403	822525631	/nfs/dbraw/zinc/52/56/31/822525631.db2.gz	VQRUEOAIHWCYNS-KRWDZBQOSA-N	1	0	352.394	1.572	20	30		FDEDRO
C=CCSc1nc2ccccc2n1C[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1	ZINC000840153736	822552405	/nfs/dbraw/zinc/55/24/05/822552405.db2.gz	SMWIFSJYZIMADO-HOCLYGCPSA-N	1	0	358.467	1.861	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3coc(C)n3)[C@@H]2CC)CC1	ZINC001087840131	822559268	/nfs/dbraw/zinc/55/92/68/822559268.db2.gz	JDUVGZDWMHEBHZ-RBUKOAKNSA-N	1	0	358.486	1.797	20	30		FDEDRO
N#C[C@H](c1ccccc1)N1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1	ZINC000895600324	822664676	/nfs/dbraw/zinc/66/46/76/822664676.db2.gz	YDZCLPOTBHJUJA-RBUKOAKNSA-N	1	0	354.454	1.116	20	30		FDEDRO
CO[C@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCO1	ZINC000895594513	822667178	/nfs/dbraw/zinc/66/71/78/822667178.db2.gz	RFOHGHIVVORZMR-GOSISDBHSA-N	1	0	358.442	1.537	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)C1C[NH+](C2CCOCC2)C1	ZINC000895651831	822689825	/nfs/dbraw/zinc/68/98/25/822689825.db2.gz	CNOSIKZDRXMHHB-UHFFFAOYSA-N	1	0	357.454	1.644	20	30		FDEDRO
C[C@H](CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[NH+](C)C	ZINC000895682724	822701957	/nfs/dbraw/zinc/70/19/57/822701957.db2.gz	WZYTWNSPNJNITR-XNDRKVBMSA-N	1	0	364.490	1.840	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4occc4C)C[C@@H]3C2)C1=O	ZINC001087886192	822717205	/nfs/dbraw/zinc/71/72/05/822717205.db2.gz	ZVMYERRNIATOBU-IKGGRYGDSA-N	1	0	357.454	1.769	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCCO3)C[C@@H]2C1	ZINC001087893730	822741277	/nfs/dbraw/zinc/74/12/77/822741277.db2.gz	UJVDKRBXTMUBBV-QYZOEREBSA-N	1	0	355.438	1.254	20	30		FDEDRO
O=C([C@@H]1COCCO1)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001087893341	822745606	/nfs/dbraw/zinc/74/56/06/822745606.db2.gz	FKKSNNQMKDJBCO-AABGKKOBSA-N	1	0	354.450	1.234	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC3CCCCCC3)CC[C@@H]2C1	ZINC001087909732	823759119	/nfs/dbraw/zinc/75/91/19/823759119.db2.gz	WGNLEIXPRBVSAL-ZACQAIPSSA-N	1	0	360.502	1.765	20	30		FDEDRO
N#Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4cc[nH]n4)C[C@@H]3C2)ccc1F	ZINC001087917206	823826960	/nfs/dbraw/zinc/82/69/60/823826960.db2.gz	IWWBZEIAQNJULH-WBVHZDCISA-N	1	0	367.428	1.943	20	30		FDEDRO
CN1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4C#N)CC[C@@H]3C2)C1	ZINC001087920050	823866369	/nfs/dbraw/zinc/86/63/69/823866369.db2.gz	CPRIUHDPXJLBOC-HSALFYBXSA-N	1	0	368.481	1.169	20	30		FDEDRO
N#Cc1ccccc1N1CCC(NC(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1	ZINC000895991562	823879253	/nfs/dbraw/zinc/87/92/53/823879253.db2.gz	VTEYWJPOALXQLN-SFHVURJKSA-N	1	0	354.454	1.364	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1	ZINC001088329054	828581659	/nfs/dbraw/zinc/58/16/59/828581659.db2.gz	MPTDEBLPCPOTMD-QRVBRYPASA-N	1	0	358.486	1.882	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@@H]4COC(=O)C4)C[C@@H]3C2)cc1	ZINC001087933940	823990356	/nfs/dbraw/zinc/99/03/56/823990356.db2.gz	LMQPBZPSEDXRHZ-OTWHNJEPSA-N	1	0	367.449	1.792	20	30		FDEDRO
N#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](C[C@@H]4CCc5ncnn54)CC[C@@H]3C2)[nH]1	ZINC001087939058	824019066	/nfs/dbraw/zinc/01/90/66/824019066.db2.gz	XFVZZUGIBSHCHK-YCPHGPKFSA-N	1	0	365.441	1.059	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4nccn4CC)C[C@@H]3C2)C1=O	ZINC001087950992	824110754	/nfs/dbraw/zinc/11/07/54/824110754.db2.gz	VWDXCLOXHIARNQ-IXDOHACOSA-N	1	0	371.485	1.084	20	30		FDEDRO
CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CSCC#N)[C@H](OC)C1)c1ccccc1	ZINC001211886637	824157089	/nfs/dbraw/zinc/15/70/89/824157089.db2.gz	RRQCULXFBYVKKY-IXDOHACOSA-N	1	0	363.483	1.446	20	30		FDEDRO
O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1)NC1CCCCC1	ZINC001087962083	824182845	/nfs/dbraw/zinc/18/28/45/824182845.db2.gz	WXRFCGIKYCWILO-MSOLQXFVSA-N	1	0	357.498	1.629	20	30		FDEDRO
O=C(c1ncc[nH]1)N1C[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)CC[C@@H]2C1	ZINC001087960466	824191241	/nfs/dbraw/zinc/19/12/41/824191241.db2.gz	WXJHKEDDBMNAQU-SJORKVTESA-N	1	0	352.413	1.994	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cn([C@H](C)COC)nc3C)C[C@@H]2C1	ZINC001087966468	824245397	/nfs/dbraw/zinc/24/53/97/824245397.db2.gz	DRKQCVUNJJSKLL-NXHRZFHOSA-N	1	0	358.486	1.816	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN(C(=O)C4CC4)C3)C[C@@H]2C1	ZINC001087977583	824326543	/nfs/dbraw/zinc/32/65/43/824326543.db2.gz	NNTPFTFKOWECJA-QYZOEREBSA-N	1	0	357.498	1.439	20	30		FDEDRO
CC[C@@H](C#N)Oc1cc(CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)ccc1OC	ZINC000896343390	824344533	/nfs/dbraw/zinc/34/45/33/824344533.db2.gz	UHLOAXVNTCGNCX-IRXDYDNUSA-N	1	0	373.453	1.713	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4nccn4)C[C@@H]3C2)c(F)c1	ZINC001087980522	824347134	/nfs/dbraw/zinc/34/71/34/824347134.db2.gz	DJXQRZHHVXZWJT-WBVHZDCISA-N	1	0	368.416	1.269	20	30		FDEDRO
COC(=O)[C@@](C)(C[NH2+][C@H](C)C(=O)NC1(C#N)CCC1)c1ccc(F)cc1	ZINC000447030226	828643925	/nfs/dbraw/zinc/64/39/25/828643925.db2.gz	UILRZSIJIAPZME-ACJLOTCBSA-N	1	0	361.417	1.797	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3CC)C2)CC1	ZINC000984684904	824480492	/nfs/dbraw/zinc/48/04/92/824480492.db2.gz	JRHDMCSSTWWQSJ-BHIYHBOVSA-N	1	0	359.514	1.827	20	30		FDEDRO
C[C@@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@@H]1C[N@H+](C)CCN1C	ZINC000896538359	824521491	/nfs/dbraw/zinc/52/14/91/824521491.db2.gz	CZPITWZNSVRRHW-MFKMUULPSA-N	1	0	355.364	1.336	20	30		FDEDRO
O=C(N[C@H]1CC(=O)N(c2c(F)cccc2F)C1)[C@H]1C[N@@H+]2CCN1CCC2	ZINC000329115186	824601430	/nfs/dbraw/zinc/60/14/30/824601430.db2.gz	MNUZVHBWLHNWFW-SWLSCSKDSA-N	1	0	364.396	1.417	20	30		FDEDRO
CNC(=O)[C@H]1C[N@@H+]([C@H](C)C(=O)NC[C@@H]2CCCO2)C[C@@H]1c1cnn(C)c1	ZINC000329117419	824601858	/nfs/dbraw/zinc/60/18/58/824601858.db2.gz	JAPAMAUQHKSSTC-BVUBDWEXSA-N	1	0	363.462	1.546	20	30		FDEDRO
COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C	ZINC000896570168	824614757	/nfs/dbraw/zinc/61/47/57/824614757.db2.gz	JXNNGVBIVQVEBD-RDJZCZTQSA-N	1	0	374.485	1.476	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C	ZINC000896569650	824631482	/nfs/dbraw/zinc/63/14/82/824631482.db2.gz	VKOBXTQFAQDLFG-WDYCEAGBSA-N	1	0	358.486	1.712	20	30		FDEDRO
C=CCc1cc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)cc(OC)c1OC	ZINC000896576184	824650720	/nfs/dbraw/zinc/65/07/20/824650720.db2.gz	FXFPPXXCVAFSQN-PBHICJAKSA-N	1	0	361.486	1.796	20	30		FDEDRO
CCn1cnc2c(c1=O)CCN(CC(=O)NC1CC[NH+](C3CC3)CC1)C2	ZINC000329193992	824660774	/nfs/dbraw/zinc/66/07/74/824660774.db2.gz	RRGVABAZZODFKS-UHFFFAOYSA-N	1	0	359.474	1.205	20	30		FDEDRO
CC(C)Cc1cc(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)cc(=O)[nH]1	ZINC000329202488	824665282	/nfs/dbraw/zinc/66/52/82/824665282.db2.gz	XBGYIZMHVZOIKU-QGZVFWFLSA-N	1	0	374.485	1.985	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)C[C@H]1CC[N@H+](C)C1	ZINC000984744200	824683952	/nfs/dbraw/zinc/68/39/52/824683952.db2.gz	XUZCCAFXKKNDQA-UKPHBRMFSA-N	1	0	357.458	1.337	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)C1	ZINC000329236257	824686457	/nfs/dbraw/zinc/68/64/57/824686457.db2.gz	OELQFZNGWNXAKP-SJORKVTESA-N	1	0	365.522	1.902	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)C[N@@H+]1C1CC1	ZINC000329248374	824693246	/nfs/dbraw/zinc/69/32/46/824693246.db2.gz	WPVRUESUYJMDHR-OAGGEKHMSA-N	1	0	363.506	1.795	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](C3CCOCC3)C2)CC1	ZINC000329262784	824701841	/nfs/dbraw/zinc/70/18/41/824701841.db2.gz	FDGBSRVKZOETRK-OALUTQOASA-N	1	0	362.518	1.427	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)c3ccc(-n4cncn4)nc3)CC2)CC1	ZINC000329277248	824708734	/nfs/dbraw/zinc/70/87/34/824708734.db2.gz	KRCVLGPLGRPVNA-UHFFFAOYSA-N	1	0	369.473	1.526	20	30		FDEDRO
CCOc1ccnc(N2CCN(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)n1	ZINC000329303054	824724959	/nfs/dbraw/zinc/72/49/59/824724959.db2.gz	NSYIFXQYRLHKDZ-AWEZNQCLSA-N	1	0	360.462	1.148	20	30		FDEDRO
Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCN(C3CC3)C(=O)C2)CCC[N@@H+]1C	ZINC000329456350	824805698	/nfs/dbraw/zinc/80/56/98/824805698.db2.gz	MXKUCBJWEKADAU-KBXCAEBGSA-N	1	0	374.489	1.024	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@H]2CCn3ncc(C(N)=O)c3C2)C1	ZINC000329510336	824844465	/nfs/dbraw/zinc/84/44/65/824844465.db2.gz	MQJHUKQEHHZXID-SQWLQELKSA-N	1	0	374.489	1.659	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)C[N@@H+]1CCC[C@@H]1C	ZINC000984789677	824919119	/nfs/dbraw/zinc/91/91/19/824919119.db2.gz	BPESSDXWRDQFAM-RRQGHBQHSA-N	1	0	357.458	1.480	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)cc1	ZINC000984821598	825019935	/nfs/dbraw/zinc/01/99/35/825019935.db2.gz	UTILAGSGRFKXGQ-ZJPYXAASSA-N	1	0	354.454	1.444	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ncnn2C(C)(C)C)C1	ZINC000984825449	825028480	/nfs/dbraw/zinc/02/84/80/825028480.db2.gz	AFNPVMWLXDLLCI-FPCVCCKLSA-N	1	0	361.490	1.609	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](CNCc2nsc(N(C)C)n2)C1	ZINC000984825387	825031367	/nfs/dbraw/zinc/03/13/67/825031367.db2.gz	XSLRXEAEWRCJRJ-SYQHCUMBSA-N	1	0	365.503	1.180	20	30		FDEDRO
C[C@@H]1CN(C(NCC(=O)N(C)C)=[NH+]C2CC2)C[C@H](c2ccc(F)cc2)O1	ZINC000262310134	825069467	/nfs/dbraw/zinc/06/94/67/825069467.db2.gz	PQIZMQIDGCTGSD-CXAGYDPISA-N	1	0	362.449	1.784	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC4(C3)CS(=O)(=O)C4)C[C@@H]2C1	ZINC001088012302	825235882	/nfs/dbraw/zinc/23/58/82/825235882.db2.gz	CAUFXFFLHLSACC-ZBFHGGJFSA-N	1	0	352.500	1.168	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc4ccccn4c3=O)C[C@@H]2C1	ZINC001088016245	825270786	/nfs/dbraw/zinc/27/07/86/825270786.db2.gz	VZPFLCRJNQSXIP-CVEARBPZSA-N	1	0	350.422	1.112	20	30		FDEDRO
Cc1ccc(N(C)C2CCN(C([O-])=[NH+][C@@H]3CCc4nc[nH]c4C3)CC2)nn1	ZINC000329686591	825302414	/nfs/dbraw/zinc/30/24/14/825302414.db2.gz	FSACYNUSDGWJPI-CQSZACIVSA-N	1	0	369.473	1.880	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COC[C@@H]2CCOC2)C[C@H]1C(F)(F)F	ZINC001112173867	825318007	/nfs/dbraw/zinc/31/80/07/825318007.db2.gz	RRCMWVWIRNYXOI-MGPQQGTHSA-N	1	0	350.381	1.595	20	30		FDEDRO
Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3C[N@H+](C4CC4)C[C@@H]3C)C2)nn1	ZINC000329690949	825319208	/nfs/dbraw/zinc/31/92/08/825319208.db2.gz	DEBPXDOBXLAJPM-JLJPHGGASA-N	1	0	358.490	1.740	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@H]2CCc3ncnn32)C1	ZINC000984918105	825439641	/nfs/dbraw/zinc/43/96/41/825439641.db2.gz	UUFAYDWCFDOKHX-JLOCXQCDSA-N	1	0	359.474	1.231	20	30		FDEDRO
COc1cc(OC)cc(N2CC[C@H](CNC(=O)[C@@H]3CN(C)CCO3)C2)c1	ZINC000329778717	825449023	/nfs/dbraw/zinc/44/90/23/825449023.db2.gz	QJOJZKVTQBAFHI-KDOFPFPSSA-N	1	0	363.458	1.817	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)N2CCN(Cc3cn4ccccc4n3)CC2)CC[N@@H+]1C	ZINC000329814430	825477781	/nfs/dbraw/zinc/47/77/81/825477781.db2.gz	UNFCZVLSHGAZEH-SJORKVTESA-N	1	0	370.501	1.849	20	30		FDEDRO
Cc1nc(CN2CCN(C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@H]3C)CC2)oc1C	ZINC000329819288	825480103	/nfs/dbraw/zinc/48/01/03/825480103.db2.gz	GBKWVYQKIPDUSM-CXAGYDPISA-N	1	0	361.490	1.806	20	30		FDEDRO
Cn1ncc(C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)c1C#N	ZINC000526006418	828789231	/nfs/dbraw/zinc/78/92/31/828789231.db2.gz	HHSZOPBIMVQECY-UHFFFAOYSA-N	1	0	368.441	1.170	20	30		FDEDRO
CCc1ccc(CC[N@@H+]2C[C@@H](NC(=O)CSCC#N)[C@H](OC)C2)cc1	ZINC001211888572	825497195	/nfs/dbraw/zinc/49/71/95/825497195.db2.gz	CRTSAUPOQDNBIT-QZTJIDSGSA-N	1	0	361.511	1.864	20	30		FDEDRO
Cn1cc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)c([C@H]2CCOC2)n1	ZINC000329875834	825518821	/nfs/dbraw/zinc/51/88/21/825518821.db2.gz	HBQAZMUKQQUHMB-HNNXBMFYSA-N	1	0	362.474	1.874	20	30		FDEDRO
Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)no1	ZINC000329901556	825534892	/nfs/dbraw/zinc/53/48/92/825534892.db2.gz	HAMYLFUFFTVFQE-GUTXKFCHSA-N	1	0	366.441	1.031	20	30		FDEDRO
CO[C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@H]1NC(=O)CSCC#N	ZINC001211888927	825546594	/nfs/dbraw/zinc/54/65/94/825546594.db2.gz	VDWOOPNMUSAMQF-IAGOWNOFSA-N	1	0	370.478	1.807	20	30		FDEDRO
CC(=O)N1CC[C@H](NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C1	ZINC000329935485	825550816	/nfs/dbraw/zinc/55/08/16/825550816.db2.gz	RBGOKPZWQVUDPH-SFHVURJKSA-N	1	0	358.486	1.948	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)NC[C@@H]2C[C@H](F)CN2c2cccnn2)C[N@@H+]1C1CC1	ZINC000329950073	825559609	/nfs/dbraw/zinc/55/96/09/825559609.db2.gz	MDHXTIKNVDISKY-HOSILWTGSA-N	1	0	362.453	1.522	20	30		FDEDRO
COc1ccc(CC[N@@H+]2C[C@@H](NC(=O)CSCC#N)[C@H](OC)C2)cc1	ZINC001211888951	825559675	/nfs/dbraw/zinc/55/96/75/825559675.db2.gz	WDZMSWNQGZWJGH-IAGOWNOFSA-N	1	0	363.483	1.310	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@H](C)c1nnc2n1CCCC2	ZINC000329990971	825584256	/nfs/dbraw/zinc/58/42/56/825584256.db2.gz	WNAUYYVSNBETPX-HUUCEWRRSA-N	1	0	363.510	1.205	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1CCN(c2ncccn2)CC1	ZINC000262348346	825608874	/nfs/dbraw/zinc/60/88/74/825608874.db2.gz	DPUYGLANMVXRTE-BBWFWOEESA-N	1	0	372.517	1.768	20	30		FDEDRO
COC1CCC(CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1	ZINC000330148181	825677939	/nfs/dbraw/zinc/67/79/39/825677939.db2.gz	UMSANGYGECTLHD-OFLPRAFFSA-N	1	0	366.506	1.344	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(=O)N2CCC([N@H+](C)CCO)CC2)C12CCOCC2	ZINC000330152156	825682582	/nfs/dbraw/zinc/68/25/82/825682582.db2.gz	LWOUVYLUAGSGEU-DLBZAZTESA-N	1	0	369.506	1.263	20	30		FDEDRO
[O-]C(=[NH+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCC[C@@H](n2cncn2)C1	ZINC000330244822	825763913	/nfs/dbraw/zinc/76/39/13/825763913.db2.gz	XJUUIJOOCMXPNS-ZACQAIPSSA-N	1	0	362.478	1.207	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(=[NH+]C)N2CC[C@H](CN3CCOCC3)C2)C12CCC2	ZINC000262355661	825764454	/nfs/dbraw/zinc/76/44/54/825764454.db2.gz	FVDURWDOCWBWPE-FGTMMUONSA-N	1	0	364.534	1.564	20	30		FDEDRO
Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C	ZINC000330257700	825770017	/nfs/dbraw/zinc/77/00/17/825770017.db2.gz	LTSBNCDEXWITIH-BBRMVZONSA-N	1	0	362.478	1.521	20	30		FDEDRO
N#CCCn1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)n1	ZINC000280915439	825815604	/nfs/dbraw/zinc/81/56/04/825815604.db2.gz	HGICJHNZNHJLMX-MRXNPFEDSA-N	1	0	372.473	1.649	20	30		FDEDRO
CCN1CC[NH+](CCCCNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1	ZINC000280968989	825831786	/nfs/dbraw/zinc/83/17/86/825831786.db2.gz	RNQHGTMIKXXOSL-FQEVSTJZSA-N	1	0	367.497	1.774	20	30		FDEDRO
CC[NH+]1CCN(CCNC(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1	ZINC000281137005	825897658	/nfs/dbraw/zinc/89/76/58/825897658.db2.gz	DMOUZAGLYCLLOR-UHFFFAOYSA-N	1	0	352.442	1.111	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCCN(C)C1=O	ZINC001029511466	825911567	/nfs/dbraw/zinc/91/15/67/825911567.db2.gz	MVLWJZBJUXVFDR-ADHGMGHFSA-N	1	0	361.486	1.264	20	30		FDEDRO
N#Cc1ccc(F)cc1CN1C[C@@H]2CCN(C(=O)Cn3nccn3)[C@@H]2C1	ZINC001075835482	826085933	/nfs/dbraw/zinc/08/59/33/826085933.db2.gz	TYJIONCFWAVGKW-WMLDXEAASA-N	1	0	354.389	1.022	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC000985065464	826268431	/nfs/dbraw/zinc/26/84/31/826268431.db2.gz	JIKQMGVCXUJBQB-DOTOQJQBSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1	ZINC000281855204	826281421	/nfs/dbraw/zinc/28/14/21/826281421.db2.gz	SLHRXPRDSVCFDP-MAUKXSAKSA-N	1	0	360.458	1.903	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C4(C(N)=O)CC4)C[C@@H]3C2)cc1	ZINC001088088729	826321383	/nfs/dbraw/zinc/32/13/83/826321383.db2.gz	JOLZLHMMCKQPRN-SJORKVTESA-N	1	0	352.438	1.104	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3C[N@H+]([C@H](C)C(=O)NC4CC4)CC[C@@H]3C2)c1	ZINC001088099745	826395714	/nfs/dbraw/zinc/39/57/14/826395714.db2.gz	AWNBHEWWNCRCDW-KYJSFNMBSA-N	1	0	366.465	1.124	20	30		FDEDRO
COc1ccc([C@H]([NH2+]C(C)C)C(=O)N2CCN(C(=O)CC#N)CC2)cc1	ZINC000896992352	826739781	/nfs/dbraw/zinc/73/97/81/826739781.db2.gz	CAFOVUOZTZHPRQ-SFHVURJKSA-N	1	0	358.442	1.319	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4nccs4)C[C@@H]3C2)C1=O	ZINC001088149346	826759674	/nfs/dbraw/zinc/75/96/74/826759674.db2.gz	YNDWYDUPWVTQPF-QLFBSQMISA-N	1	0	360.483	1.324	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2CC)cn1	ZINC000985212004	826919597	/nfs/dbraw/zinc/91/95/97/826919597.db2.gz	NTVKNYZRAMFONR-AYOQOUSVSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2CC)nc1	ZINC000985210349	826933204	/nfs/dbraw/zinc/93/32/04/826933204.db2.gz	VWRNFAZOBPZLLV-JQHSSLGASA-N	1	0	354.454	1.266	20	30		FDEDRO
CC(C)[C@@H]([NH2+]Cc1cc(C#N)cs1)C(=O)N(C)Cc1nnc2n1CCC2	ZINC000475346203	827167796	/nfs/dbraw/zinc/16/77/96/827167796.db2.gz	GEUJJRVGHAFTCN-QGZVFWFLSA-N	1	0	372.498	1.930	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2cncc(C#N)n2)CC[N@@H+]1C	ZINC001059515782	827185954	/nfs/dbraw/zinc/18/59/54/827185954.db2.gz	UGHOKVCDPFXLCV-IBWRZXHSSA-N	1	0	354.458	1.304	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+]([C@@H](C)C(=O)NC4CC4)CC[C@@H]3C2)nc1	ZINC001088175072	827223407	/nfs/dbraw/zinc/22/34/07/827223407.db2.gz	CXFNQFJOWVZYBR-UAGQMJEPSA-N	1	0	366.465	1.124	20	30		FDEDRO
Cn1cncc1CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@@H]2C1	ZINC001088171141	827236342	/nfs/dbraw/zinc/23/63/42/827236342.db2.gz	ZJXLUXIDEPWGPU-MOPGFXCFSA-N	1	0	363.465	1.815	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3ccc(C(F)(F)F)n3)C[C@@H]2C1	ZINC001088192152	827387826	/nfs/dbraw/zinc/38/78/26/827387826.db2.gz	MGVXWGGDFFBBPF-KGLIPLIRSA-N	1	0	354.376	1.706	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3-n3cnnn3)C[C@@H]2C1	ZINC001088196970	827411751	/nfs/dbraw/zinc/41/17/51/827411751.db2.gz	KMRPOCXIISQCOK-CVEARBPZSA-N	1	0	350.426	1.080	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@H]3[C@@H]4CCC[C@@H]43)[C@H]2C)CC1	ZINC000987539210	833205447	/nfs/dbraw/zinc/20/54/47/833205447.db2.gz	BAGXBCSVVRBHOE-IQRFUGTFSA-N	1	0	357.498	1.483	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC000985343203	827523896	/nfs/dbraw/zinc/52/38/96/827523896.db2.gz	JWMHPIAFIFWLCW-ZWKOTPCHSA-N	1	0	371.485	1.728	20	30		FDEDRO
Cc1nonc1C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)CC[C@@H]2C1	ZINC001088219955	827543700	/nfs/dbraw/zinc/54/37/00/827543700.db2.gz	DPNLQURSZNGMRS-SJORKVTESA-N	1	0	351.410	1.844	20	30		FDEDRO
Cc1nonc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)CC[C@@H]2C1	ZINC001088220584	827547729	/nfs/dbraw/zinc/54/77/29/827547729.db2.gz	KMIJXPHUOGFYAV-SJORKVTESA-N	1	0	351.410	1.844	20	30		FDEDRO
Cc1nonc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)CC[C@@H]2C1	ZINC001088220621	827547787	/nfs/dbraw/zinc/54/77/87/827547787.db2.gz	MGEVDCQOUDIROP-ZBFHGGJFSA-N	1	0	369.400	1.983	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4[nH]c(=O)n(C)c4c3)C[C@@H]2C1	ZINC001088223344	827559368	/nfs/dbraw/zinc/55/93/68/827559368.db2.gz	XZPZHMYGNIWIDF-CVEARBPZSA-N	1	0	352.438	1.696	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2CC)cc1	ZINC000523040148	827625850	/nfs/dbraw/zinc/62/58/50/827625850.db2.gz	BRDAXOXTNNRMNS-INIZCTEOSA-N	1	0	373.457	1.533	20	30		FDEDRO
Cn1ncc(C(=O)Nc2ccccc2C[N@@H+]2CCC[C@H](C(N)=O)C2)c1C#N	ZINC000475445980	827644555	/nfs/dbraw/zinc/64/45/55/827644555.db2.gz	LJGLFBJRXVHYKK-AWEZNQCLSA-N	1	0	366.425	1.241	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCN(C(C)=O)C2)C[C@H]1C(F)(F)F	ZINC001112188942	828316014	/nfs/dbraw/zinc/31/60/14/828316014.db2.gz	HRVLCROCFWXMLE-FMKPAKJESA-N	1	0	359.392	1.247	20	30		FDEDRO
CC1(C)C[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C[C@H]1O	ZINC000447922589	828937201	/nfs/dbraw/zinc/93/72/01/828937201.db2.gz	AXKCOJBAECXATL-GDBMZVCRSA-N	1	0	362.499	1.160	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)Nc2ccc(C[NH+](C)C)cc2)n(CCC#N)n1	ZINC000527094398	828956073	/nfs/dbraw/zinc/95/60/73/828956073.db2.gz	DBTGROKBMYTQAE-UHFFFAOYSA-N	1	0	354.414	1.744	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([N@@H+](C)[C@@H]2CCN(C)C2=O)CC1	ZINC000985691822	828994663	/nfs/dbraw/zinc/99/46/63/828994663.db2.gz	FMRDIWKSFJQWAS-KSZLIROESA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]Cc1ncnn1CC(F)F	ZINC001168100644	829193892	/nfs/dbraw/zinc/19/38/92/829193892.db2.gz	FKWVOZTWRMUPQO-WFASDCNBSA-N	1	0	357.405	1.120	20	30		FDEDRO
CC[NH+]=C(NCc1cccc(N2CC=CC2)c1)N1CCN(C2CC2)C(=O)C1	ZINC000262616737	829232232	/nfs/dbraw/zinc/23/22/32/829232232.db2.gz	BQVDVBGXLROPKL-UHFFFAOYSA-N	1	0	367.497	1.835	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]C[C@@H](O)Cc1ccc(F)cc1	ZINC001168101621	829238706	/nfs/dbraw/zinc/23/87/06/829238706.db2.gz	VJGIWRHWGHZLMT-FHWLQOOXSA-N	1	0	364.461	1.806	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1	ZINC000528350756	829363396	/nfs/dbraw/zinc/36/33/96/829363396.db2.gz	ADSOMOCQVAZTLV-ROUUACIJSA-N	1	0	357.454	1.536	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CCN1CC[C@H]([NH+]2CCCCC2)C1	ZINC000528377046	829370487	/nfs/dbraw/zinc/37/04/87/829370487.db2.gz	CYRBHORGMBEIEW-KRWDZBQOSA-N	1	0	351.450	1.846	20	30		FDEDRO
CCC[C@H]1CN(C[C@@H](O)COc2ccccc2C#N)CC[N@@H+]1CCOC	ZINC000528427906	829399251	/nfs/dbraw/zinc/39/92/51/829399251.db2.gz	AMHXOPOIELTZRE-RBUKOAKNSA-N	1	0	361.486	1.731	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H]2COCC[NH2+]2)cc1	ZINC000528678870	829508994	/nfs/dbraw/zinc/50/89/94/829508994.db2.gz	ZZQRBTKRLCJTQA-QGZVFWFLSA-N	1	0	358.442	1.611	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(C)n(C)n2)C1	ZINC001029863201	829515339	/nfs/dbraw/zinc/51/53/39/829515339.db2.gz	BTGPXXLFCUIEGR-WDSOQIARSA-N	1	0	360.502	1.990	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NCCC(C)C	ZINC001168109760	829535304	/nfs/dbraw/zinc/53/53/04/829535304.db2.gz	GZVUQDPDFJECHF-ULQDDVLXSA-N	1	0	353.507	1.614	20	30		FDEDRO
N#Cc1cnc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1	ZINC000450344915	829927310	/nfs/dbraw/zinc/92/73/10/829927310.db2.gz	DKUKDLQYGLOGNH-GOSISDBHSA-N	1	0	353.382	1.910	20	30		FDEDRO
COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2cnc3c(C#N)cnn3c2)cc1	ZINC000529644923	829960164	/nfs/dbraw/zinc/96/01/64/829960164.db2.gz	RFNDKEYGHUYNRP-GOSISDBHSA-N	1	0	362.437	1.974	20	30		FDEDRO
Cn1c(C#N)ccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000450447751	829967305	/nfs/dbraw/zinc/96/73/05/829967305.db2.gz	XQOBFXHTYNZGKI-FUHWJXTLSA-N	1	0	352.438	1.510	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H]3CCN(C(=O)c4cnc[nH]c4=O)[C@@H]3C2)cc1F	ZINC001075925568	837417679	/nfs/dbraw/zinc/41/76/79/837417679.db2.gz	UGBAJSCZSXUZGB-WMLDXEAASA-N	1	0	367.384	1.539	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1COC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1	ZINC000729809813	837434589	/nfs/dbraw/zinc/43/45/89/837434589.db2.gz	PPBAUJGDCJJOIR-HOTGVXAUSA-N	1	0	364.467	1.303	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccc(-n3ccnc3)nc2)CC1	ZINC000303779931	830296970	/nfs/dbraw/zinc/29/69/70/830296970.db2.gz	KZEGFUQMNGKEIU-UHFFFAOYSA-N	1	0	371.445	1.293	20	30		FDEDRO
COc1ccc(CN2CC[C@H](NC(=O)C3=COCCO3)[C@H]2C)cc1C#N	ZINC001088455076	830370109	/nfs/dbraw/zinc/37/01/09/830370109.db2.gz	XDVFPTBYIODUNL-CJNGLKHVSA-N	1	0	357.410	1.534	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)C[NH+](CC)CC)C1	ZINC001059688679	830456363	/nfs/dbraw/zinc/45/63/63/830456363.db2.gz	GSXDTJRXWIXEEJ-BBWFWOEESA-N	1	0	351.491	1.274	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1	ZINC000986082275	830591742	/nfs/dbraw/zinc/59/17/42/830591742.db2.gz	INVDOZJSXHVFDN-CEXWTWQISA-N	1	0	357.498	1.581	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1	ZINC000531791751	830873327	/nfs/dbraw/zinc/87/33/27/830873327.db2.gz	JSUUWNSHKPPMRT-JKSUJKDBSA-N	1	0	371.489	1.299	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CN2CCCCCC2=O)C[C@H]1C(F)(F)F	ZINC001112203855	830886727	/nfs/dbraw/zinc/88/67/27/830886727.db2.gz	NGSYTLGEVYSLFF-ZIAGYGMSSA-N	1	0	359.392	1.391	20	30		FDEDRO
C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1	ZINC000453458006	830938236	/nfs/dbraw/zinc/93/82/36/830938236.db2.gz	JYUXFIQEKSESII-AWEZNQCLSA-N	1	0	374.493	1.115	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c1	ZINC000453630506	830987288	/nfs/dbraw/zinc/98/72/88/830987288.db2.gz	RGVIGVGAMCJLBC-KRWDZBQOSA-N	1	0	358.442	1.374	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1	ZINC000453671458	831000746	/nfs/dbraw/zinc/00/07/46/831000746.db2.gz	LCTCCTBIOYELQQ-INIZCTEOSA-N	1	0	370.453	1.376	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)C[NH+](C)C	ZINC000453767872	831062522	/nfs/dbraw/zinc/06/25/22/831062522.db2.gz	TUVWLCVFZPCZBQ-CYBMUJFWSA-N	1	0	360.458	1.988	20	30		FDEDRO
C=CC(C)(C)CNC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1	ZINC000453882566	831167455	/nfs/dbraw/zinc/16/74/55/831167455.db2.gz	RZUROZWAWAAYOV-UHFFFAOYSA-N	1	0	360.458	1.844	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)CC[C@@H]3C2)CC[N@@H+]1C	ZINC000986191809	831262573	/nfs/dbraw/zinc/26/25/73/831262573.db2.gz	YSFDLEKDLQFGCG-AHEZYBDSSA-N	1	0	369.469	1.147	20	30		FDEDRO
C=C1CC(C)(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@@H]3C2)C1	ZINC000986193404	831267244	/nfs/dbraw/zinc/26/72/44/831267244.db2.gz	AGAFSODVDDKGKL-ZJPYXAASSA-N	1	0	359.514	1.990	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)C=C4CCC4)C[C@H]3C2)CC1	ZINC000986244888	831353937	/nfs/dbraw/zinc/35/39/37/831353937.db2.gz	DMEYAJVXTXULEC-UXHICEINSA-N	1	0	369.509	1.749	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CN(C(=O)C#CC4CC4)CC[C@@H]3C2)C1	ZINC000986256731	831383827	/nfs/dbraw/zinc/38/38/27/831383827.db2.gz	MISWSLKCBHDHMY-AABGKKOBSA-N	1	0	371.525	1.685	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1	ZINC000986283219	831429659	/nfs/dbraw/zinc/42/96/59/831429659.db2.gz	NAIYORQTJQJXFK-KURKYZTESA-N	1	0	370.497	1.546	20	30		FDEDRO
C#CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1	ZINC001105429394	831858097	/nfs/dbraw/zinc/85/80/97/831858097.db2.gz	YVQRKFLPSYBWNS-RQGSJKACSA-N	1	0	369.509	1.535	20	30		FDEDRO
CCOC(=O)[C@@H]1CCCN(C(NCC(=O)N2CCc3ccccc32)=[NH+]C)C1	ZINC000262947877	832015895	/nfs/dbraw/zinc/01/58/95/832015895.db2.gz	BCULCJOZXZODEG-MRXNPFEDSA-N	1	0	372.469	1.426	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@@H]2C1	ZINC000986599088	832025551	/nfs/dbraw/zinc/02/55/51/832025551.db2.gz	QNYCLKHXJDLADR-NUJGCVRESA-N	1	0	368.481	1.828	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)CC[C@@H]3C2)C1	ZINC000986686561	832198317	/nfs/dbraw/zinc/19/83/17/832198317.db2.gz	USCGBACEWBDRKJ-UAGQMJEPSA-N	1	0	369.469	1.149	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCC=C)C1	ZINC001112215794	832373334	/nfs/dbraw/zinc/37/33/34/832373334.db2.gz	MYXHXGDKTUCCNQ-ZIAGYGMSSA-N	1	0	350.381	1.761	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](CCCC)NC(N)=O)C[C@H]1C(F)(F)F	ZINC001112215965	832375320	/nfs/dbraw/zinc/37/53/20/832375320.db2.gz	PZVIXPDGTZJTRS-FRRDWIJNSA-N	1	0	362.396	1.216	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](C)OC2(CC[NH+](CCOC)CC2)C1	ZINC001098639128	832465970	/nfs/dbraw/zinc/46/59/70/832465970.db2.gz	LAQHJVHMRHMZJY-BBWFWOEESA-N	1	0	352.475	1.306	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1	ZINC001059790367	832752189	/nfs/dbraw/zinc/75/21/89/832752189.db2.gz	PTLSMBVITVAINA-ZACQAIPSSA-N	1	0	351.491	1.273	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@H]3CC=CCC3)[C@H]2C)CC1	ZINC000987322659	832789570	/nfs/dbraw/zinc/78/95/70/832789570.db2.gz	HBEZJNHLNJFYRP-AOIWGVFYSA-N	1	0	357.498	1.794	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4cc5n(n4)CCO5)[C@@H]3C2)c1	ZINC001075888265	832951718	/nfs/dbraw/zinc/95/17/18/832951718.db2.gz	AFBYGWOMBCWCQK-FUHWJXTLSA-N	1	0	363.421	1.494	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C)C1	ZINC000987626931	833503550	/nfs/dbraw/zinc/50/35/50/833503550.db2.gz	ZIMLAZKLZVNXFU-INMHGKMJSA-N	1	0	371.485	1.728	20	30		FDEDRO
C[C@H](C(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1C)[NH+]1CCCCCC1	ZINC000987952510	833837767	/nfs/dbraw/zinc/83/77/67/833837767.db2.gz	OBZBYYXJOPLKCV-INMHGKMJSA-N	1	0	371.485	1.870	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@@H]1C	ZINC000987965142	833875381	/nfs/dbraw/zinc/87/53/81/833875381.db2.gz	YVHSVDHDYWUHTG-JLSDUUJJSA-N	1	0	371.485	1.868	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H](CN(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC000988173450	834154793	/nfs/dbraw/zinc/15/47/93/834154793.db2.gz	YWLPOJRFGDGZBA-BPQIPLTHSA-N	1	0	368.481	1.324	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C)nc1	ZINC000988199831	834227150	/nfs/dbraw/zinc/22/71/50/834227150.db2.gz	WXBDCFCNFZPRPX-JLSDUUJJSA-N	1	0	366.465	1.124	20	30		FDEDRO
C[C@@H]1CN(Cc2c(C#N)cccc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1	ZINC000459373766	835189548	/nfs/dbraw/zinc/18/95/48/835189548.db2.gz	NCPXEUXYGCYPJN-CRAIPNDOSA-N	1	0	357.458	1.924	20	30		FDEDRO
N#Cc1cccnc1OC1CCC(NC(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1	ZINC000897504518	835641803	/nfs/dbraw/zinc/64/18/03/835641803.db2.gz	JBBFAPMFFXRMCX-ADKAHSJRSA-N	1	0	370.453	1.480	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3cscn3)[C@@H]2C)CC1	ZINC000988506774	835659047	/nfs/dbraw/zinc/65/90/47/835659047.db2.gz	PHNJFBBHXJLGQR-HIFRSBDPSA-N	1	0	360.483	1.208	20	30		FDEDRO
CC(C)N1C[C@H](C(=O)N[C@H]2CCN(CC#Cc3ccccc3)[C@@H]2C)CC1=O	ZINC001088602090	835947700	/nfs/dbraw/zinc/94/77/00/835947700.db2.gz	WHOXSXMIIOXOMN-RLLQIKCJSA-N	1	0	367.493	1.874	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1OC	ZINC001211992202	835967295	/nfs/dbraw/zinc/96/72/95/835967295.db2.gz	GAQHQRDPZTUOSK-ATZDWAIDSA-N	1	0	362.470	1.476	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C[C@H]2CCC(=O)NC2)CCN1CC#Cc1ccc(F)cc1	ZINC001088617134	836948279	/nfs/dbraw/zinc/94/82/79/836948279.db2.gz	ZQKOLQJAOVIUKF-SUMDDJOVSA-N	1	0	371.456	1.673	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC000988747398	836969269	/nfs/dbraw/zinc/96/92/69/836969269.db2.gz	UMJJGXNARMSFNE-ZBFHGGJFSA-N	1	0	369.469	1.482	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCNC2=O)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088617815	837008900	/nfs/dbraw/zinc/00/89/00/837008900.db2.gz	ADHRKLGRDGMTFX-HFTRVMKXSA-N	1	0	370.453	1.194	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1	ZINC000938036581	837078233	/nfs/dbraw/zinc/07/82/33/837078233.db2.gz	ITFJHVUVEVCUSK-BBWFWOEESA-N	1	0	361.486	1.313	20	30		FDEDRO
C=CCN1CC[C@H](N2CC[C@H](NC(=O)c3conc3C(C)C)[C@H]2C)C1=O	ZINC001088618987	837174905	/nfs/dbraw/zinc/17/49/05/837174905.db2.gz	SKGJQLYFWWLIQW-KBMXLJTQSA-N	1	0	360.458	1.778	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(C)([NH3+])CC2)cc1	ZINC000666833225	837906471	/nfs/dbraw/zinc/90/64/71/837906471.db2.gz	WYTKEKSERLKTGQ-UHFFFAOYSA-N	1	0	366.487	1.838	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)[C@H]2C)cc1	ZINC000989051922	838231534	/nfs/dbraw/zinc/23/15/34/838231534.db2.gz	RSNUFBDGZZFDCW-SUMDDJOVSA-N	1	0	353.466	1.729	20	30		FDEDRO
[NH3+][C@@H](CNC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1)C1CC1	ZINC000667442134	844313612	/nfs/dbraw/zinc/31/36/12/844313612.db2.gz	QHXVGYLUNTWPOM-KRWDZBQOSA-N	1	0	353.447	1.940	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc3n(n2)CCO3)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088625241	838558475	/nfs/dbraw/zinc/55/84/75/838558475.db2.gz	ZOVONSZFFAESLJ-CJNGLKHVSA-N	1	0	351.410	1.540	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2sc(C)nc2C)[C@@H]1C	ZINC001088631047	838621811	/nfs/dbraw/zinc/62/18/11/838621811.db2.gz	ONYDUZAHSOCBMV-PVAVHDDUSA-N	1	0	360.527	1.937	20	30		FDEDRO
COCC[N@@H+](Cc1c(C)nn(C)c1C)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000459577934	838851925	/nfs/dbraw/zinc/85/19/25/838851925.db2.gz	WVFVXXFKLNQTBI-GOSISDBHSA-N	1	0	372.469	1.797	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)nc3cc(C)nn32)c1C#N	ZINC000760302660	839756810	/nfs/dbraw/zinc/75/68/10/839756810.db2.gz	CUDROXZJVYUAGO-UHFFFAOYSA-N	1	0	352.402	1.345	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1C1(C[NH2+]CC(=O)NC)CCC1	ZINC001105564272	839963550	/nfs/dbraw/zinc/96/35/50/839963550.db2.gz	YQFQTHQCTIZMAA-IXDOHACOSA-N	1	0	363.502	1.465	20	30		FDEDRO
N#CCOc1cccc(CC(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1	ZINC000760452828	839975716	/nfs/dbraw/zinc/97/57/16/839975716.db2.gz	NJZPRCFLBRDSPQ-SFHVURJKSA-N	1	0	370.453	1.072	20	30		FDEDRO
CCCN1c2ccccc2C(=NNC(=S)NCC2CC[NH+](C)CC2)C1=O	ZINC000760465938	839984496	/nfs/dbraw/zinc/98/44/96/839984496.db2.gz	KHSXZWXGWZOUAN-UHFFFAOYSA-N	1	0	373.526	1.953	20	30		FDEDRO
CC(C)Cc1nc(C#N)c(NNC(=S)NCC2CC[NH+](C)CC2)o1	ZINC000760475942	839998919	/nfs/dbraw/zinc/99/89/19/839998919.db2.gz	GPHFAULBWHLHRR-UHFFFAOYSA-N	1	0	350.492	1.878	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)c2cnn(C3CCC3)c2)[C@H](C)C1	ZINC001101970450	840046401	/nfs/dbraw/zinc/04/64/01/840046401.db2.gz	WRVVIUPMKBNKBP-OWCLPIDISA-N	1	0	371.485	1.044	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CN3CCCC3=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105590214	840123283	/nfs/dbraw/zinc/12/32/83/840123283.db2.gz	IVOUWVZTYSMNCP-XNFNUYLZSA-N	1	0	363.502	1.151	20	30		FDEDRO
N#Cc1c2ccccc2[nH]c1C(=O)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1	ZINC000897927162	840593832	/nfs/dbraw/zinc/59/38/32/840593832.db2.gz	IPFMJYIKSNULKE-AWEZNQCLSA-N	1	0	365.437	1.466	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1	ZINC000842032505	840814781	/nfs/dbraw/zinc/81/47/81/840814781.db2.gz	DLAAPTSOTMEWMA-RBUKOAKNSA-N	1	0	369.465	1.029	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(CC)n[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105600761	841013820	/nfs/dbraw/zinc/01/38/20/841013820.db2.gz	MMZCAISQKVBJMI-XSYGEPLQSA-N	1	0	358.486	1.575	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnc(F)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105603581	841177095	/nfs/dbraw/zinc/17/70/95/841177095.db2.gz	MHILRAJGYGXUKY-CIWUYKSXSA-N	1	0	359.445	1.824	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105604576	841184445	/nfs/dbraw/zinc/18/44/45/841184445.db2.gz	VXYXCVSHUMAZCL-LFGUQSLTSA-N	1	0	366.502	1.029	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CNC(=O)CCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105606990	841210972	/nfs/dbraw/zinc/21/09/72/841210972.db2.gz	JRUFLUORGHWQGI-VVWQDTPRSA-N	1	0	351.491	1.055	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)n(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105607417	841226320	/nfs/dbraw/zinc/22/63/20/841226320.db2.gz	RCVLZNBZVHKMPM-SOAMZJECSA-N	1	0	358.486	1.332	20	30		FDEDRO
C=CCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCc3csnn3)C2)[C@H]1C(C)C	ZINC001105607444	841226410	/nfs/dbraw/zinc/22/64/10/841226410.db2.gz	RQSMEJWIYDRDDN-JOCBIADPSA-N	1	0	364.515	1.970	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncc(C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105610729	841688741	/nfs/dbraw/zinc/68/87/41/841688741.db2.gz	MTJVEVHBTLGUCR-XCJLJZCSSA-N	1	0	355.482	1.993	20	30		FDEDRO
C=CCN1CC[C@H](N2CC[C@H](NC(=O)c3cncc4[nH]ccc43)[C@H]2C)C1=O	ZINC001088707231	842063161	/nfs/dbraw/zinc/06/31/61/842063161.db2.gz	UPPRUHPYMDNDMH-SKDZVZGDSA-N	1	0	367.453	1.542	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2CC(=O)OC)CC1	ZINC000476744632	842109141	/nfs/dbraw/zinc/10/91/41/842109141.db2.gz	JEUYLXJTKRXXHU-UHFFFAOYSA-N	1	0	359.426	1.107	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncccc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105614833	842227827	/nfs/dbraw/zinc/22/78/27/842227827.db2.gz	KBXJZOJTZDUMKW-PLOVASNDSA-N	1	0	355.482	1.993	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)ccn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619907	842239997	/nfs/dbraw/zinc/23/99/97/842239997.db2.gz	SRVDXEHLRXFQNN-VGUOSERISA-N	1	0	357.498	1.937	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COC(C)(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105623120	842250843	/nfs/dbraw/zinc/25/08/43/842250843.db2.gz	NAFGZKDUKNHJTN-QQTQMKHKSA-N	1	0	350.503	1.791	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C#CC3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105626865	842258408	/nfs/dbraw/zinc/25/84/08/842258408.db2.gz	ITDGKCXNPGDBCU-QCFAMHMHSA-N	1	0	360.498	1.569	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncn(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105627178	842259624	/nfs/dbraw/zinc/25/96/24/842259624.db2.gz	LJQIKCOKUBXIKV-NNFUDEMPSA-N	1	0	361.490	1.361	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3onc(C)c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105636963	842269562	/nfs/dbraw/zinc/26/95/62/842269562.db2.gz	HPONHDYANNZACO-HBXLWWENSA-N	1	0	359.470	1.894	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CCOC)C3)[C@@H]2C(C)C)CCC1	ZINC001105637334	842271062	/nfs/dbraw/zinc/27/10/62/842271062.db2.gz	NIUGBXGJKSJWBQ-DCXXXQMHSA-N	1	0	362.514	1.793	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH]nc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105638014	842275362	/nfs/dbraw/zinc/27/53/62/842275362.db2.gz	YSRIGMDRBLCJHF-FTEYMNFISA-N	1	0	358.486	1.575	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)nnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105632698	842280476	/nfs/dbraw/zinc/28/04/76/842280476.db2.gz	NOAFFGRLLPWGER-BNDYYXHWSA-N	1	0	370.497	1.696	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn4c3CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001105633596	842282358	/nfs/dbraw/zinc/28/23/58/842282358.db2.gz	VRTUADOAEQTGGP-XLBJILASSA-N	1	0	370.497	1.432	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=C)Cl)C2)[C@H]1C(C)C	ZINC001105633783	842283234	/nfs/dbraw/zinc/28/32/34/842283234.db2.gz	WVLWCXLZHXOPPG-RWQQGDIJSA-N	1	0	368.905	1.745	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3coc(OC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105641475	842294755	/nfs/dbraw/zinc/29/47/55/842294755.db2.gz	BOKSZOFOZUZMOB-RGPZOAQRSA-N	1	0	361.442	1.286	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(COCC)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105642393	842306197	/nfs/dbraw/zinc/30/61/97/842306197.db2.gz	JCARTRJBOGLJSS-WIRSXHRWSA-N	1	0	362.514	1.793	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccc(=O)[nH]c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105642982	842327007	/nfs/dbraw/zinc/32/70/07/842327007.db2.gz	PULMQWJPZYIKIC-SGLNWRHMSA-N	1	0	371.481	1.319	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(COC)CCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105643276	842334582	/nfs/dbraw/zinc/33/45/82/842334582.db2.gz	WCXDBKAPXYIZNJ-IKVWTGGYSA-N	1	0	362.514	1.793	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(COC)CCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105643421	842335309	/nfs/dbraw/zinc/33/53/09/842335309.db2.gz	YAZPLHPSJOBBNG-NEYJZJCJSA-N	1	0	362.514	1.793	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)O[C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000923792711	842440004	/nfs/dbraw/zinc/44/00/04/842440004.db2.gz	QPBDAJBPCSJPGI-KRWDZBQOSA-N	1	0	357.410	1.318	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cscn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105655866	842478933	/nfs/dbraw/zinc/47/89/33/842478933.db2.gz	LTAVTMCNLZTLGS-PSBWJHGTSA-N	1	0	361.511	1.675	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ocnc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105656605	842487262	/nfs/dbraw/zinc/48/72/62/842487262.db2.gz	ROZJHJSWNXEAJI-HBXLWWENSA-N	1	0	359.470	1.840	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@H]1C(C)C	ZINC001105656552	842487607	/nfs/dbraw/zinc/48/76/07/842487607.db2.gz	QXGDTPNXCDXVQH-UMHPPVOVSA-N	1	0	351.491	1.040	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnoc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105656187	842491618	/nfs/dbraw/zinc/49/16/18/842491618.db2.gz	NMJLFPJHJMZADU-ZTRFORPCSA-N	1	0	359.470	1.840	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088721208	842519115	/nfs/dbraw/zinc/51/91/15/842519115.db2.gz	GGMLUZDYDLBEIH-JLSDUUJJSA-N	1	0	369.469	1.428	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCn3cccc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105661209	842677508	/nfs/dbraw/zinc/67/75/08/842677508.db2.gz	GAJQEAODLMKLPA-QCFAMHMHSA-N	1	0	357.498	1.868	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnc(C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105662027	842733211	/nfs/dbraw/zinc/73/32/11/842733211.db2.gz	MDZSBTWHASLETL-XCJLJZCSSA-N	1	0	355.482	1.993	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cnc3nccn3c2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088747574	842788571	/nfs/dbraw/zinc/78/85/71/842788571.db2.gz	KXBGZVCFBKMWKL-KDOFPFPSSA-N	1	0	360.421	1.994	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCCC(N)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105666415	843135244	/nfs/dbraw/zinc/13/52/44/843135244.db2.gz	FHQPQSJYSNADHP-YKCBXCCJSA-N	1	0	365.518	1.574	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3cnccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105666696	843293680	/nfs/dbraw/zinc/29/36/80/843293680.db2.gz	IIHWPEVWURTPFB-RMVXJAJNSA-N	1	0	370.497	1.399	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nc(C)oc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105666948	843352799	/nfs/dbraw/zinc/35/27/99/843352799.db2.gz	LSSIORYUDMLOIF-CIWUYKSXSA-N	1	0	359.470	1.894	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(=O)NCC3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667176	843517696	/nfs/dbraw/zinc/51/76/96/843517696.db2.gz	OZBJETRFTURVSG-SMOSDQRPSA-N	1	0	363.502	1.055	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cncn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105668078	843753871	/nfs/dbraw/zinc/75/38/71/843753871.db2.gz	WCTNFHPLIXRZTG-HNBVOPMISA-N	1	0	360.502	1.505	20	30		FDEDRO
CC1(C)CC[N@H+](CCNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1	ZINC000898589237	844887004	/nfs/dbraw/zinc/88/70/04/844887004.db2.gz	UQUMRUGRXFIOFX-UHFFFAOYSA-N	1	0	356.474	1.517	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC[N@@H+]1CCC(C)(C)C1	ZINC000898594434	844906530	/nfs/dbraw/zinc/90/65/30/844906530.db2.gz	NQSIIDLYDMJZAF-OAHLLOKOSA-N	1	0	371.489	1.300	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3ccnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105673003	845263770	/nfs/dbraw/zinc/26/37/70/845263770.db2.gz	GDIJHBIFQHXAAC-IZBJGVDFSA-N	1	0	360.502	1.815	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CCCc3nn[nH]c32)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088823821	846382013	/nfs/dbraw/zinc/38/20/13/846382013.db2.gz	FHZDUIILKYTQHR-COXVUDFISA-N	1	0	364.453	1.875	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3cccc(C)c3)[C@H]2C)C1=O	ZINC001088831886	847074943	/nfs/dbraw/zinc/07/49/43/847074943.db2.gz	IODKGDYCVSIUMU-NZSAHSFTSA-N	1	0	355.482	1.903	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCNC(=O)CC4)[C@@H]3C2)cc1	ZINC001076087310	847231228	/nfs/dbraw/zinc/23/12/28/847231228.db2.gz	OIRDMFGEYKHIAI-GBESFXJTSA-N	1	0	366.465	1.507	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](CNc3ccncc3C#N)C2)CC[N@@H+]1C	ZINC001060099166	847279935	/nfs/dbraw/zinc/27/99/35/847279935.db2.gz	UJPWBDNGPMYSKA-VDZJLULYSA-N	1	0	355.486	1.756	20	30		FDEDRO
N#Cc1cnc(NC[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)cn1	ZINC001060103368	847428640	/nfs/dbraw/zinc/42/86/40/847428640.db2.gz	VTRMKXUWWPPIIR-NWANDNLSSA-N	1	0	351.414	1.526	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)COC4CCOCC4)[C@@H]3C2)c1	ZINC001076315850	847810752	/nfs/dbraw/zinc/81/07/52/847810752.db2.gz	SKEKPBVTHKCYOU-AZUAARDMSA-N	1	0	369.465	1.787	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CC[C@H]3C[N@@H+](CCC(F)(F)F)C[C@H]32)nn1	ZINC001076344935	847918929	/nfs/dbraw/zinc/91/89/29/847918929.db2.gz	GYGOYOKXFAENQE-GXTWGEPZSA-N	1	0	357.380	1.953	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CCO[C@@H]4CC4(F)F)C[C@H]32)nc1	ZINC001076475992	848239472	/nfs/dbraw/zinc/23/94/72/848239472.db2.gz	PHUDIFULJYGLMZ-USXIJHARSA-N	1	0	361.392	1.633	20	30		FDEDRO
N#CC1(NC(=O)c2ccc(C(N)=O)nc2)CC[NH+](Cc2ccccc2)CC1	ZINC000482680402	848565916	/nfs/dbraw/zinc/56/59/16/848565916.db2.gz	ZJOLMKAUGUVVFE-UHFFFAOYSA-N	1	0	363.421	1.469	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CC[NH+]1CCCCC1	ZINC001076738216	848906841	/nfs/dbraw/zinc/90/68/41/848906841.db2.gz	SQBAPOALZNZMII-KSZLIROESA-N	1	0	365.518	1.855	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1	ZINC001076740209	848912644	/nfs/dbraw/zinc/91/26/44/848912644.db2.gz	JUZJWNDDGZKLSR-QGTPRVQTSA-N	1	0	370.453	1.940	20	30		FDEDRO
COc1ccccc1CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1	ZINC001076855779	849214034	/nfs/dbraw/zinc/21/40/34/849214034.db2.gz	MWBAALKMZHFGGO-QZTJIDSGSA-N	1	0	368.437	1.303	20	30		FDEDRO
Cc1cccc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)c1	ZINC001076907528	849302123	/nfs/dbraw/zinc/30/21/23/849302123.db2.gz	SBOWXSIZBSUJKY-RTBURBONSA-N	1	0	352.438	1.603	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@](C)(C(N)=O)C2)cc1	ZINC000483269045	849423634	/nfs/dbraw/zinc/42/36/34/849423634.db2.gz	HAEFACJLHVUMFO-LJQANCHMSA-N	1	0	358.442	1.529	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C(N)=O)C1	ZINC000483279896	849433690	/nfs/dbraw/zinc/43/36/90/849433690.db2.gz	NQHUVPOBFXREOI-IFXJQAMLSA-N	1	0	358.442	1.528	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@](C)(C(N)=O)C1	ZINC000483279897	849433861	/nfs/dbraw/zinc/43/38/61/849433861.db2.gz	NQHUVPOBFXREOI-KUHUBIRLSA-N	1	0	358.442	1.528	20	30		FDEDRO
C[NH+](C)CCOC1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1	ZINC000483300050	849452415	/nfs/dbraw/zinc/45/24/15/849452415.db2.gz	PHFIDADVZVZTAC-UHFFFAOYSA-N	1	0	362.405	1.205	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C	ZINC001076973810	849458908	/nfs/dbraw/zinc/45/89/08/849458908.db2.gz	BCXGRALXEIJYMD-XSLAGTTESA-N	1	0	367.534	1.955	20	30		FDEDRO
CC(C)(C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O)[NH+]1CCCCC1	ZINC001076999317	849498151	/nfs/dbraw/zinc/49/81/51/849498151.db2.gz	MVPLIBIODSQDJG-WOJBJXKFSA-N	1	0	369.509	1.464	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn([C@H](C)COC)nc2C)C1	ZINC001076997006	849516934	/nfs/dbraw/zinc/51/69/34/849516934.db2.gz	YXDHVABHVMZRLX-KBRIMQKVSA-N	1	0	350.463	1.140	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccccc2CC)C[C@H]1O	ZINC001077019430	849553885	/nfs/dbraw/zinc/55/38/85/849553885.db2.gz	UORYWPAXVJFRTI-NCYKPQTJSA-N	1	0	372.509	1.934	20	30		FDEDRO
C=CCCC[C@@H]1NC(=O)N(Cc2ccc(N3CC[NH+](C)CC3)nc2)C1=O	ZINC000904135158	850977096	/nfs/dbraw/zinc/97/70/96/850977096.db2.gz	VPXMENBRWDCSCY-INIZCTEOSA-N	1	0	357.458	1.610	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(OCC[NH+](C)C)CC1	ZINC000485119771	851584701	/nfs/dbraw/zinc/58/47/01/851584701.db2.gz	UUKIZVZPBJOTRT-UHFFFAOYSA-N	1	0	374.485	1.778	20	30		FDEDRO
CC1(C)[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000905357432	851856227	/nfs/dbraw/zinc/85/62/27/851856227.db2.gz	MNTOTIGXIPEUIP-LBPRGKRZSA-N	1	0	358.261	1.740	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1	ZINC000913514197	862294062	/nfs/dbraw/zinc/29/40/62/862294062.db2.gz	IIJMMXGGYVKWKV-HXUWFJFHSA-N	1	0	363.461	1.709	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCC2(CCOCC2)CO1	ZINC000905425960	851932595	/nfs/dbraw/zinc/93/25/95/851932595.db2.gz	RIBWQKUAEMMDBQ-QZTJIDSGSA-N	1	0	360.454	1.863	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(N3CCNC3=O)cc2)cc1	ZINC000905427844	851933496	/nfs/dbraw/zinc/93/34/96/851933496.db2.gz	OGMCEWDWJKALIY-GOSISDBHSA-N	1	0	366.421	1.617	20	30		FDEDRO
COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)NCC#CC[NH+](C)C)cc1OC	ZINC000913516919	862300746	/nfs/dbraw/zinc/30/07/46/862300746.db2.gz	LRCOMVVJHQUMFP-UONOGXRCSA-N	1	0	373.453	1.593	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1	ZINC000913521998	862306362	/nfs/dbraw/zinc/30/63/62/862306362.db2.gz	VMNQLDHZEWCQEX-HKUYNNGSSA-N	1	0	370.428	1.770	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1	ZINC000913518533	862302553	/nfs/dbraw/zinc/30/25/53/862302553.db2.gz	TUYDPUMDFBHCDR-OAHLLOKOSA-N	1	0	365.886	1.536	20	30		FDEDRO
C#CCN1CCC[C@@H]([NH2+]CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1	ZINC000905458914	851961917	/nfs/dbraw/zinc/96/19/17/851961917.db2.gz	DPGDJYUHMXJAPR-GOSISDBHSA-N	1	0	368.481	1.829	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@@H](O)[C@@H](O)CC2)c(OC)c1	ZINC000905465019	851964647	/nfs/dbraw/zinc/96/46/47/851964647.db2.gz	JLWWSBBNLLYUMH-TVFCKZIOSA-N	1	0	365.470	1.417	20	30		FDEDRO
CN1CC[N@H+](C)CC(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000905555338	852030845	/nfs/dbraw/zinc/03/08/45/852030845.db2.gz	UBLFBWPVVHLFMF-UHFFFAOYSA-N	1	0	369.513	1.086	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)CC3(O)CCOCC3)CC2)cc1	ZINC000905555742	852031974	/nfs/dbraw/zinc/03/19/74/852031974.db2.gz	WHKHEXGHEGDYQQ-UHFFFAOYSA-N	1	0	357.454	1.524	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCN2C2CCOCC2)cc1	ZINC000905617791	852115148	/nfs/dbraw/zinc/11/51/48/852115148.db2.gz	DWIQMKKOEVWUCN-RBUKOAKNSA-N	1	0	359.470	1.335	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CN[C@@H](C(N)=O)c3ccc(C#N)cc3)cc2)CC1	ZINC000905788872	852258531	/nfs/dbraw/zinc/25/85/31/852258531.db2.gz	NHDYSOJSBBQRMB-HXUWFJFHSA-N	1	0	363.465	1.626	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([NH2+][C@H]3CCCN4CCSC[C@@H]34)C2=O)cc1	ZINC000905852050	852353051	/nfs/dbraw/zinc/35/30/51/852353051.db2.gz	BXOLKQPFQJLTLF-BZSNNMDCSA-N	1	0	356.495	1.833	20	30		FDEDRO
Cc1c(C#N)c(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)n2ccccc12	ZINC000905878438	852397625	/nfs/dbraw/zinc/39/76/25/852397625.db2.gz	ISLBEJTYBRJRAO-QAPCUYQASA-N	1	0	368.437	1.938	20	30		FDEDRO
N#CC1(C[C@@H](O)CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)CCC1	ZINC000905959302	852465822	/nfs/dbraw/zinc/46/58/22/852465822.db2.gz	XHCUDHBFMWSPKE-KURKYZTESA-N	1	0	367.449	1.548	20	30		FDEDRO
CN1CC[N@H+](C)CC(C(=O)N[C@H](C#N)c2ccccc2Br)C1	ZINC000906688183	853167366	/nfs/dbraw/zinc/16/73/66/853167366.db2.gz	UPPADGWJFXNMQQ-OAHLLOKOSA-N	1	0	365.275	1.623	20	30		FDEDRO
Cc1cc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc(C)c1C#N	ZINC000906714122	853204119	/nfs/dbraw/zinc/20/41/19/853204119.db2.gz	OUNPISQIIYKEGK-SFHVURJKSA-N	1	0	356.470	1.311	20	30		FDEDRO
COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N	ZINC000906779464	853308097	/nfs/dbraw/zinc/30/80/97/853308097.db2.gz	JPEKGZYPUPYNMG-NSHDSACASA-N	1	0	364.471	1.303	20	30		FDEDRO
C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000486057752	853562226	/nfs/dbraw/zinc/56/22/26/853562226.db2.gz	ZNZXDXBWDDHZIO-CRAIPNDOSA-N	1	0	363.465	1.953	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)cn2)[C@H](C)C1	ZINC000906947769	853615502	/nfs/dbraw/zinc/61/55/02/853615502.db2.gz	QNAURJHLEBTISW-ZBFHGGJFSA-N	1	0	366.487	1.369	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)CCC[NH+](C)C)C1	ZINC001060257025	862489177	/nfs/dbraw/zinc/48/91/77/862489177.db2.gz	VNDKFPQMYMGYAB-BBWFWOEESA-N	1	0	351.491	1.274	20	30		FDEDRO
CC(C)CC[NH+]1CCC(CNS(=O)(=O)c2ccc(C#N)cn2)CC1	ZINC000907028721	853720554	/nfs/dbraw/zinc/72/05/54/853720554.db2.gz	VZAJFOZSXCWNCG-UHFFFAOYSA-N	1	0	350.488	1.990	20	30		FDEDRO
C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000486138593	853782575	/nfs/dbraw/zinc/78/25/75/853782575.db2.gz	RGZRTHZEQVUAAD-KBXCAEBGSA-N	1	0	354.454	1.933	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(C#N)cn1	ZINC000907120404	853829867	/nfs/dbraw/zinc/82/98/67/853829867.db2.gz	FRAMXTBTKLWAPK-PBHICJAKSA-N	1	0	356.451	1.752	20	30		FDEDRO
C=C(Br)CN1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1	ZINC001083606649	853861415	/nfs/dbraw/zinc/86/14/15/853861415.db2.gz	IWAADRLICOBTRC-KGLIPLIRSA-N	1	0	365.231	1.018	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C	ZINC000907150186	853888996	/nfs/dbraw/zinc/88/89/96/853888996.db2.gz	UJAOZTDTPRITPG-IBGZPJMESA-N	1	0	372.513	1.926	20	30		FDEDRO
C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2ccc(Br)c(C#N)c2)C1	ZINC000907199371	853907147	/nfs/dbraw/zinc/90/71/47/853907147.db2.gz	WUUICYIVTSVULQ-HZMBPMFUSA-N	1	0	370.272	1.645	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3ccc(Br)c(C#N)c3)[C@H]2C1	ZINC000907199374	853908223	/nfs/dbraw/zinc/90/82/23/853908223.db2.gz	WUUICYIVTSVULQ-YGRLFVJLSA-N	1	0	370.272	1.645	20	30		FDEDRO
Cc1cc(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)cc(C)c1C#N	ZINC000907203577	853911728	/nfs/dbraw/zinc/91/17/28/853911728.db2.gz	QKYJGYMERMKTGS-UHFFFAOYSA-N	1	0	357.454	1.474	20	30		FDEDRO
C[NH+](C)C1(CNS(=O)(=O)c2ccc(Br)c(C#N)c2)CC1	ZINC000907255065	853992511	/nfs/dbraw/zinc/99/25/11/853992511.db2.gz	RKSSVIZJKOSCCS-UHFFFAOYSA-N	1	0	358.261	1.693	20	30		FDEDRO
C[N@@H+]1CCC[C@@](O)(CC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1	ZINC000907284209	854023978	/nfs/dbraw/zinc/02/39/78/854023978.db2.gz	LUAKTKTVGOCFGZ-GOSISDBHSA-N	1	0	357.389	1.668	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)c2cccc(C#N)c2)C1	ZINC000027246739	854395225	/nfs/dbraw/zinc/39/52/25/854395225.db2.gz	ILMDXXZVMKOANA-KRWDZBQOSA-N	1	0	359.426	1.188	20	30		FDEDRO
CN1CC[N@H+](C)CC(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1	ZINC000907615641	854460316	/nfs/dbraw/zinc/46/03/16/854460316.db2.gz	UCHOEWNNVCUIAT-UHFFFAOYSA-N	1	0	371.485	1.253	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(c2cccc(C#N)n2)CC1)[NH+]1CCCCC1	ZINC000760673998	862656368	/nfs/dbraw/zinc/65/63/68/862656368.db2.gz	GETIXILMFQPBDE-INIZCTEOSA-N	1	0	356.474	1.659	20	30		FDEDRO
CN(C)c1ccc([C@@H](CNS(=O)(=O)c2cccnc2C#N)[NH+](C)C)cc1	ZINC000908460840	855446401	/nfs/dbraw/zinc/44/64/01/855446401.db2.gz	ZXTBUMJXNQGDFV-QGZVFWFLSA-N	1	0	373.482	1.600	20	30		FDEDRO
C=CCn1c(COC)nnc1N1CC[NH+](CCCOC(C)(C)C)CC1	ZINC000908645733	855653423	/nfs/dbraw/zinc/65/34/23/855653423.db2.gz	PCFCEIYVIYJKCC-UHFFFAOYSA-N	1	0	351.495	1.938	20	30		FDEDRO
C=CCn1c(-c2ncnc3[nH]cnc32)nnc1N1CC[NH+](CC2CC2)CC1	ZINC000908712943	855716451	/nfs/dbraw/zinc/71/64/51/855716451.db2.gz	YYBFULJNRGIWKE-UHFFFAOYSA-N	1	0	365.445	1.281	20	30		FDEDRO
N#Cc1cc(F)cc(C2(C(=O)NCC(=O)NCC[NH+]3CCCCC3)CC2)c1	ZINC000909315132	856434058	/nfs/dbraw/zinc/43/40/58/856434058.db2.gz	JXRRKXNCXZTGOY-UHFFFAOYSA-N	1	0	372.444	1.447	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)[C@@H](O)C1	ZINC001083636029	857067456	/nfs/dbraw/zinc/06/74/56/857067456.db2.gz	ZPIOJQKWIVQDGO-NYUBLWNDSA-N	1	0	356.466	1.854	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H](NC(=O)c3onc4c3CCCC4)[C@@H](O)C2)cc1	ZINC001083637704	857206291	/nfs/dbraw/zinc/20/62/91/857206291.db2.gz	IOYDGCSWHWNGGA-MSOLQXFVSA-N	1	0	366.421	1.400	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1	ZINC000488225926	857391048	/nfs/dbraw/zinc/39/10/48/857391048.db2.gz	ZIXUWATXIYNJBZ-SJORKVTESA-N	1	0	364.534	1.474	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@H](OC(C)(C)C)C2)CC1	ZINC000668835557	857507132	/nfs/dbraw/zinc/50/71/32/857507132.db2.gz	CUQCGIDZQQGPCS-WKILWMFISA-N	1	0	351.491	1.605	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)Cc2ccc(F)cc2C)CC1	ZINC000668836459	857519330	/nfs/dbraw/zinc/51/93/30/857519330.db2.gz	ZDPGJZMZVKBJCF-HNNXBMFYSA-N	1	0	361.461	1.948	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](OC)C2CCCC2)CC1	ZINC000668835963	857525599	/nfs/dbraw/zinc/52/55/99/857525599.db2.gz	NJLDFQYVDYGSQG-KRWDZBQOSA-N	1	0	351.491	1.465	20	30		FDEDRO
C#CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)C1	ZINC000910831202	857774366	/nfs/dbraw/zinc/77/43/66/857774366.db2.gz	WHOHXOAWYMFGSC-IAGOWNOFSA-N	1	0	354.454	1.381	20	30		FDEDRO
N#Cc1ccc(N(C(=O)C(=O)NCC2CC=CC2)[C@@H]2CCC[NH2+]C2)nc1	ZINC000910859350	857790101	/nfs/dbraw/zinc/79/01/01/857790101.db2.gz	ZKTTZHMOQIQZIW-MRXNPFEDSA-N	1	0	353.426	1.121	20	30		FDEDRO
C#CCN(C(=O)C(=O)N(C)Cc1cccc(N(C)C)c1)C1CC[NH+](C)CC1	ZINC000910887349	857841234	/nfs/dbraw/zinc/84/12/34/857841234.db2.gz	QTEZRKMIXVHGNE-UHFFFAOYSA-N	1	0	370.497	1.267	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2	ZINC000911003671	858023479	/nfs/dbraw/zinc/02/34/79/858023479.db2.gz	XGEQCMMFJFVCDL-YLJYHZDGSA-N	1	0	357.454	1.516	20	30		FDEDRO
C=C(C)Cn1c(-c2cn(C)nn2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C	ZINC000669333823	862996305	/nfs/dbraw/zinc/99/63/05/862996305.db2.gz	XOQHZNYUDNHKPS-GDBMZVCRSA-N	1	0	358.494	1.816	20	30		FDEDRO
C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	ZINC000911143561	858223813	/nfs/dbraw/zinc/22/38/13/858223813.db2.gz	ZKUCZOSRDNETIE-MLGOLLRUSA-N	1	0	368.462	1.627	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1	ZINC000911332700	858473767	/nfs/dbraw/zinc/47/37/67/858473767.db2.gz	ZVVMYAKSRXEPCQ-MNOVXSKESA-N	1	0	353.410	1.150	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1	ZINC000911311097	858479051	/nfs/dbraw/zinc/47/90/51/858479051.db2.gz	AERAXXAYZWIKLJ-ZIAGYGMSSA-N	1	0	368.359	1.107	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1	ZINC000911402923	858590766	/nfs/dbraw/zinc/59/07/66/858590766.db2.gz	JYRUSUYQTLTLRS-QGZVFWFLSA-N	1	0	358.417	1.304	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2	ZINC000911541504	858778967	/nfs/dbraw/zinc/77/89/67/858778967.db2.gz	HIBWCPIMMLTBHS-CYZMBNFOSA-N	1	0	353.875	1.925	20	30		FDEDRO
N#C[C@@]1(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC2CCC1CC2	ZINC000911707283	858937882	/nfs/dbraw/zinc/93/78/82/858937882.db2.gz	ZRQDWBXVRAVCFD-UGZUTAHUSA-N	1	0	358.486	1.377	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccn4nccc4n3)CC2)c1	ZINC000911921751	859111180	/nfs/dbraw/zinc/11/11/80/859111180.db2.gz	QEZZWWIIIOKGGD-UHFFFAOYSA-N	1	0	360.421	1.995	20	30		FDEDRO
C=CCc1cc(C(=O)N(CCO)C2CC[NH+](C)CC2)cc(OC)c1OC	ZINC000911936119	859161851	/nfs/dbraw/zinc/16/18/51/859161851.db2.gz	WPFBUKNRSMWLOY-UHFFFAOYSA-N	1	0	362.470	1.961	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@]2(C)C[NH+]3CCC2CC3)cc1	ZINC000912383318	859664097	/nfs/dbraw/zinc/66/40/97/859664097.db2.gz	PDWUDFIZAKOEOR-GOSISDBHSA-N	1	0	363.483	1.365	20	30		FDEDRO
CN(CC[N@H+](C)CCO)C(=O)c1ccc(COc2ccccc2C#N)o1	ZINC000912608399	859951502	/nfs/dbraw/zinc/95/15/02/859951502.db2.gz	HFYXTBFBSNKOBT-UHFFFAOYSA-N	1	0	357.410	1.726	20	30		FDEDRO
O=C(NC[C@H]1CCCN(C(=O)NCC#Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1	ZINC000668994441	860031275	/nfs/dbraw/zinc/03/12/75/860031275.db2.gz	BJWFDMWSJZPKIZ-MOPGFXCFSA-N	1	0	368.481	1.328	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC=C(COC)CC1	ZINC000669032255	860842469	/nfs/dbraw/zinc/84/24/69/860842469.db2.gz	FJZGIBZGBVRSPT-SJORKVTESA-N	1	0	359.474	1.783	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(CC)Cc1cnn(C)c1	ZINC000669033113	860874849	/nfs/dbraw/zinc/87/48/49/860874849.db2.gz	HHIMPIPVWCRBEX-SJORKVTESA-N	1	0	371.489	1.760	20	30		FDEDRO
CC[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#Cc2ccccc2)[C@H](C)C1	ZINC001105836304	863430087	/nfs/dbraw/zinc/43/00/87/863430087.db2.gz	HGBPSDWQHBKHLD-QWFCFKBJSA-N	1	0	369.509	1.885	20	30		FDEDRO
CCn1nc(C)c(C[NH2+]C[C@@H]2CN(C(=O)CSCC#N)C[C@H]2C)n1	ZINC001105846090	863474371	/nfs/dbraw/zinc/47/43/71/863474371.db2.gz	HWXOZMJFEAJOGJ-TZMCWYRMSA-N	1	0	350.492	1.047	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]C[C@@H](O)CC(F)(F)F	ZINC001105846116	863474692	/nfs/dbraw/zinc/47/46/92/863474692.db2.gz	IXZDVXSMWKZSTN-UTUOFQBUSA-N	1	0	353.410	1.241	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)COCCC)C[C@H]1C	ZINC001105910768	863926068	/nfs/dbraw/zinc/92/60/68/863926068.db2.gz	XVXPHFUOBPUWOB-FGTMMUONSA-N	1	0	367.534	1.910	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cscn2)C[C@H]1C	ZINC001105922911	864026556	/nfs/dbraw/zinc/02/65/56/864026556.db2.gz	DHJKVGFDOKIWML-HUUCEWRRSA-N	1	0	362.499	1.641	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2nnc(C)s2)[C@H](C)C1	ZINC001105928831	864064074	/nfs/dbraw/zinc/06/40/74/864064074.db2.gz	ANVCLUOGTXGDRV-DGCLKSJQSA-N	1	0	351.476	1.435	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COCC(F)(F)F)[C@H](C)C1	ZINC001105929489	864069070	/nfs/dbraw/zinc/06/90/70/864069070.db2.gz	RZIGGNVBEPXLFU-MGPQQGTHSA-N	1	0	352.397	1.577	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCc2ccccc2)[C@H](C)C1	ZINC001105929549	864069263	/nfs/dbraw/zinc/06/92/63/864069263.db2.gz	VWXFZWBVFRWQJA-IEBWSBKVSA-N	1	0	357.498	1.996	20	30		FDEDRO
CC(=NN[C@@H]1CCS(=O)(=O)C1)c1ccc(O)c(C[NH+]2CCCCC2)c1	ZINC000916540647	881726395	/nfs/dbraw/zinc/72/63/95/881726395.db2.gz	IVQSJVNCKXVSBM-QGZVFWFLSA-N	1	0	365.499	1.879	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2nc([C@@H](C)OC)no2)[C@H](C)C1	ZINC001105942194	864167708	/nfs/dbraw/zinc/16/77/08/864167708.db2.gz	BEOHHEHZVZXISX-MGPQQGTHSA-N	1	0	352.435	1.164	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCc2ccsc2)[C@H](C)C1	ZINC001105951376	864210640	/nfs/dbraw/zinc/21/06/40/864210640.db2.gz	DPRWZCQHFABXDX-SQWLQELKSA-N	1	0	362.499	1.251	20	30		FDEDRO
C=CCN1CC(=O)N(Cc2cccc(OCCN3CCOCC3)c2)C1=O	ZINC000761167339	864258024	/nfs/dbraw/zinc/25/80/24/864258024.db2.gz	ZLYUUJVINNODSE-UHFFFAOYSA-N	1	0	359.426	1.348	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(C)C)[C@H](C)C1	ZINC001105982560	864335549	/nfs/dbraw/zinc/33/55/49/864335549.db2.gz	RPHAQZVPBFQYLI-IAGOWNOFSA-N	1	0	353.507	1.426	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCOCC=C)C[C@H]1C	ZINC001105984523	864342073	/nfs/dbraw/zinc/34/20/73/864342073.db2.gz	MYIJTGCDMPDRLE-BRWVUGGUSA-N	1	0	351.491	1.344	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C)C(=O)N1CCCCC1	ZINC001105988627	864376183	/nfs/dbraw/zinc/37/61/83/864376183.db2.gz	BGCGIUBGMFPADZ-BFYDXBDKSA-N	1	0	371.485	1.585	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ncccc2C)C[C@H]1C	ZINC001105994396	864429632	/nfs/dbraw/zinc/42/96/32/864429632.db2.gz	YHKDPMRNCLZSRN-QZTJIDSGSA-N	1	0	370.497	1.888	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ncnn2C)C1	ZINC001112291992	864434599	/nfs/dbraw/zinc/43/45/99/864434599.db2.gz	GURQXGZHULNGBP-LPHOPBHVSA-N	1	0	361.490	1.516	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@H]1C	ZINC001106005550	864569308	/nfs/dbraw/zinc/56/93/08/864569308.db2.gz	VLTKZMVVMWYWQB-KGYLQXTDSA-N	1	0	358.280	1.105	20	30		FDEDRO
C[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106018824	864671072	/nfs/dbraw/zinc/67/10/72/864671072.db2.gz	XYXQESZJOAXVRZ-UYAOXDASSA-N	1	0	355.482	1.054	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+]Cc2nnc3n2CCCC3)[C@H](C)C1	ZINC001106026073	864810252	/nfs/dbraw/zinc/81/02/52/864810252.db2.gz	ULUGIOLTCHWLHT-IAGOWNOFSA-N	1	0	357.502	1.992	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cnccn2)[C@H](C)C1	ZINC001106025772	864813889	/nfs/dbraw/zinc/81/38/89/864813889.db2.gz	HHEGIMJTFBFODF-HZPDHXFCSA-N	1	0	357.458	1.293	20	30		FDEDRO
Cc1cc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)n1	ZINC001106025863	864813970	/nfs/dbraw/zinc/81/39/70/864813970.db2.gz	KZISVVBBIRYYCB-CXAGYDPISA-N	1	0	354.458	1.698	20	30		FDEDRO
C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CC[NH+](CC3CC3)CC2)C1=O	ZINC000170637860	864851954	/nfs/dbraw/zinc/85/19/54/864851954.db2.gz	BNFBXCRUXBJEPO-HXUWFJFHSA-N	1	0	367.453	1.310	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(Cl)s2)[C@H](C)C1	ZINC001106028998	864875714	/nfs/dbraw/zinc/87/57/14/864875714.db2.gz	DEIUEKBKQVLJBA-CHWSQXEVSA-N	1	0	367.902	1.725	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088863577	864878864	/nfs/dbraw/zinc/87/88/64/864878864.db2.gz	MGXZIMKYYDCYFE-DOMZBBRYSA-N	1	0	351.410	1.378	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]C[C@@H](OC)c2ccccc2)[C@H](C)C1	ZINC001106034415	864912774	/nfs/dbraw/zinc/91/27/74/864912774.db2.gz	DLDUPAZBEHNTTM-BHIYHBOVSA-N	1	0	371.481	1.198	20	30		FDEDRO
CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)[C@H](C)C1	ZINC001106033499	864923725	/nfs/dbraw/zinc/92/37/25/864923725.db2.gz	TZUZKDYFAVUFLZ-CZUORRHYSA-N	1	0	360.433	1.408	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+][C@H](C)c2cccc(F)c2)[C@H](C)C1	ZINC001106033588	864924740	/nfs/dbraw/zinc/92/47/40/864924740.db2.gz	YBLXYACEWYHBFZ-BFYDXBDKSA-N	1	0	359.445	1.710	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2coc(C)n2)C[C@H]1C	ZINC001106048192	864994930	/nfs/dbraw/zinc/99/49/30/864994930.db2.gz	XQQGMOVZXOMRDR-GDBMZVCRSA-N	1	0	362.474	1.705	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)COCc2ccco2)[C@H](C)C1	ZINC001106057272	865061925	/nfs/dbraw/zinc/06/19/25/865061925.db2.gz	ZDEHWDHJKIGZCD-KURKYZTESA-N	1	0	362.470	1.645	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CC3(OC)CCC3)C[C@H]2C)C1=O	ZINC001106067962	865140923	/nfs/dbraw/zinc/14/09/23/865140923.db2.gz	PZLASUSEDIOFDM-BRWVUGGUSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cccc(OC)c2)C[C@@H]1O	ZINC001083848488	881840198	/nfs/dbraw/zinc/84/01/98/881840198.db2.gz	FWHGTUHAMZPALO-YRPNKDGESA-N	1	0	374.481	1.728	20	30		FDEDRO
CC(C)c1nnnn1CC(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H]1C	ZINC001088908286	865377316	/nfs/dbraw/zinc/37/73/16/865377316.db2.gz	QQHMSCRPLCXCRA-PBHICJAKSA-N	1	0	367.457	1.447	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c3cccnc32)C[C@H]1C	ZINC001106876976	881880405	/nfs/dbraw/zinc/88/04/05/881880405.db2.gz	HJDDZJJZPIRDHR-ZIAGYGMSSA-N	1	0	355.442	1.163	20	30		FDEDRO
C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1	ZINC000763395578	881887971	/nfs/dbraw/zinc/88/79/71/881887971.db2.gz	HSQUTJWBUYGIAK-SCLBCKFNSA-N	1	0	359.451	1.932	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)CC1	ZINC000067846001	865677313	/nfs/dbraw/zinc/67/73/13/865677313.db2.gz	AYDAQSPZHZFJFG-IBGZPJMESA-N	1	0	369.465	1.766	20	30		FDEDRO
COc1ccnc(C(=N)Nc2ccc([C@@]34CC[NH2+][C@@H]3COCC4)cc2)n1	ZINC001168421830	865696029	/nfs/dbraw/zinc/69/60/29/865696029.db2.gz	AVGWSEHKFCQAHU-BEFAXECRSA-N	1	0	353.426	1.542	20	30		FDEDRO
C[NH+](C)CCNC(=O)Cn1cc(NC(=O)/C=C/c2ccccc2C#N)cn1	ZINC000172708738	865744135	/nfs/dbraw/zinc/74/41/35/865744135.db2.gz	TZNYWCSFHPWFBX-BQYQJAHWSA-N	1	0	366.425	1.084	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)CN2CCCC2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001089040102	866226056	/nfs/dbraw/zinc/22/60/56/866226056.db2.gz	YUGJBYLSMLGTTG-APWZRJJASA-N	1	0	356.470	1.764	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3nc(C4CC4)no3)[C@@H]2C)CC1	ZINC001089059712	866387929	/nfs/dbraw/zinc/38/79/29/866387929.db2.gz	XFZXGMIOEOLPHK-PBHICJAKSA-N	1	0	371.485	1.371	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1	ZINC000991986267	866825835	/nfs/dbraw/zinc/82/58/35/866825835.db2.gz	ACVZVCFORCJMCC-BZSNNMDCSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1	ZINC000991987593	866847019	/nfs/dbraw/zinc/84/70/19/866847019.db2.gz	KIYXFLYLSCKZHQ-BZSNNMDCSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCn1c(-c2ccccn2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000669808752	867603524	/nfs/dbraw/zinc/60/35/24/867603524.db2.gz	AUZOZHCPDOMXMT-MRXNPFEDSA-N	1	0	354.458	1.827	20	30		FDEDRO
Cc1cc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)ncc1C#N	ZINC000457662269	867608819	/nfs/dbraw/zinc/60/88/19/867608819.db2.gz	HYMQOLQBPXVWDE-XLIONFOSSA-N	1	0	364.449	1.875	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1	ZINC000992077108	867715703	/nfs/dbraw/zinc/71/57/03/867715703.db2.gz	BOPWKRNENPWLAV-KURKYZTESA-N	1	0	363.502	1.415	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H]2COc3cc(OC)ccc32)c1C#N	ZINC000535511934	867725223	/nfs/dbraw/zinc/72/52/23/867725223.db2.gz	QNLWAFPKENHIPG-GFCCVEGCSA-N	1	0	369.425	1.947	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCOC(C)(C)C1	ZINC000459926966	867924076	/nfs/dbraw/zinc/92/40/76/867924076.db2.gz	KWKXELJFEZMYTQ-UHFFFAOYSA-N	1	0	372.469	1.086	20	30		FDEDRO
COc1cc(CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)ccc1C#N	ZINC000462476351	867994374	/nfs/dbraw/zinc/99/43/74/867994374.db2.gz	TXLUMEVMVYIBQR-AWEZNQCLSA-N	1	0	360.458	1.553	20	30		FDEDRO
C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cccc(C#N)c1	ZINC000462467251	867996843	/nfs/dbraw/zinc/99/68/43/867996843.db2.gz	YTRGPPGNECSEMM-FMJMRLDVSA-N	1	0	368.481	1.862	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]C[C@@H](O)Cc1ccc(F)cc1	ZINC001106101184	868100704	/nfs/dbraw/zinc/10/07/04/868100704.db2.gz	LXJGVAUSIQLSNK-ZTNFWEORSA-N	1	0	358.457	1.827	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]C[C@H](O)COc2ccccc2)[C@H](C)C1	ZINC001106104690	868132419	/nfs/dbraw/zinc/13/24/19/868132419.db2.gz	CHXWSIHHCNRJEB-QRVBRYPASA-N	1	0	358.482	1.770	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C)C(=O)NCc1ccccc1	ZINC001106106186	868179781	/nfs/dbraw/zinc/17/97/81/868179781.db2.gz	MRTQQPJBGQARII-FUHIMQAGSA-N	1	0	367.493	1.789	20	30		FDEDRO
CC[C@H]1CCCCN1C(=O)C[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C	ZINC001106106281	868183468	/nfs/dbraw/zinc/18/34/68/868183468.db2.gz	QGRAJMFPYBADQS-QRQLOZEOSA-N	1	0	359.514	1.875	20	30		FDEDRO
C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2ccc(C#N)cc2)c1	ZINC000462768338	868190706	/nfs/dbraw/zinc/19/07/06/868190706.db2.gz	VBYSGGKWNIXORO-UHFFFAOYSA-N	1	0	372.450	1.650	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC(CNC(=O)C2CC[NH+](C)CC2)C1	ZINC000992204620	868332046	/nfs/dbraw/zinc/33/20/46/868332046.db2.gz	BSANPGCEHJIXRH-SYNTWQANSA-N	1	0	363.502	1.320	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2C(C)(C)C)[C@H](C)C1	ZINC001106111909	868394764	/nfs/dbraw/zinc/39/47/64/868394764.db2.gz	SDPBZOAYDJIDIE-OWCLPIDISA-N	1	0	361.490	1.256	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)n2C2CC2)[C@H](C)C1	ZINC001106112040	868402543	/nfs/dbraw/zinc/40/25/43/868402543.db2.gz	WEAWOBWIFFQNTL-IJEWVQPXSA-N	1	0	359.474	1.144	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1[N@H+](Cc1cn(C)nc1C)CC2	ZINC000992243926	868564430	/nfs/dbraw/zinc/56/44/30/868564430.db2.gz	WWZLGPNSBMYSJS-RMJJICAUSA-N	1	0	358.486	1.933	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2cc(CO)ccc2F)[C@H](C)C1	ZINC001106117167	868587483	/nfs/dbraw/zinc/58/74/83/868587483.db2.gz	IMQVVUWOJIXWRE-CRAIPNDOSA-N	1	0	362.445	1.542	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2	ZINC001077508907	868603677	/nfs/dbraw/zinc/60/36/77/868603677.db2.gz	VQUKONCHNWLBFC-ULQDDVLXSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCn1c(CS(C)(=O)=O)nnc1N1CCC([NH+](CC)CC)CC1	ZINC001121605988	869202548	/nfs/dbraw/zinc/20/25/48/869202548.db2.gz	QIHWWPSGWWOZIR-UHFFFAOYSA-N	1	0	355.508	1.319	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000992400963	869210577	/nfs/dbraw/zinc/21/05/77/869210577.db2.gz	PDWPCSTXSKQMMU-FUHWJXTLSA-N	1	0	371.481	1.922	20	30		FDEDRO
CCOC(=O)N1CCN(C(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)CC1	ZINC000271854169	869326611	/nfs/dbraw/zinc/32/66/11/869326611.db2.gz	YCLQQZXATYOFPN-UHFFFAOYSA-N	1	0	356.426	1.438	20	30		FDEDRO
N#Cc1c(F)cc(CNS(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)cc1F	ZINC000916747938	882375388	/nfs/dbraw/zinc/37/53/88/882375388.db2.gz	UCGVKRPGWCIJRS-INIZCTEOSA-N	1	0	355.410	1.742	20	30		FDEDRO
Cn1cc(C[NH2+]CCCN2CCC[C@H]2C(N)=O)c(-c2ccc(C#N)cc2)n1	ZINC000272101638	870324572	/nfs/dbraw/zinc/32/45/72/870324572.db2.gz	HANKECQUHCCSKB-SFHVURJKSA-N	1	0	366.469	1.388	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCc2ccccc2)C[C@@H]1O	ZINC001083853912	882413400	/nfs/dbraw/zinc/41/34/00/882413400.db2.gz	WCXBWLXAYMERNN-YRPNKDGESA-N	1	0	358.482	1.762	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCC([N@H+](C)CCO)CC1	ZINC000914072010	870580085	/nfs/dbraw/zinc/58/00/85/870580085.db2.gz	FZAZKWMCHLHQQP-UHFFFAOYSA-N	1	0	365.499	1.393	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)N[C@@H](C)CN1CC[NH+](C)CC1	ZINC000914074946	870619704	/nfs/dbraw/zinc/61/97/04/870619704.db2.gz	OPGVUSRPWJCDCP-INIZCTEOSA-N	1	0	364.515	1.230	20	30		FDEDRO
C#CCN(C(=O)NCc1ccc(OCCOC)nc1)C1CC[NH+](C)CC1	ZINC000914107943	870812099	/nfs/dbraw/zinc/81/20/99/870812099.db2.gz	VVJAGPXTYVQUCL-UHFFFAOYSA-N	1	0	360.458	1.346	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1C[C@H](O)C12CCOCC2)C(C)C	ZINC000914127503	870948170	/nfs/dbraw/zinc/94/81/70/870948170.db2.gz	JYSIZWGCMFDVJZ-KURKYZTESA-N	1	0	365.518	1.914	20	30		FDEDRO
COc1ccc(CN2C[C@@H](NC(=O)C3(C)CC=CC3)[C@@H](O)C2)cc1C#N	ZINC001083752360	882472810	/nfs/dbraw/zinc/47/28/10/882472810.db2.gz	QXIZDRHPGOWOHF-SJORKVTESA-N	1	0	355.438	1.584	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNc2nc(C#N)c(Cl)s2)CC[N@@H+]1C	ZINC001106141853	871162450	/nfs/dbraw/zinc/16/24/50/871162450.db2.gz	IMJBEDWRVWTITD-JBLDHEPKSA-N	1	0	371.894	1.287	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[C@H]2CCCCO2)C[C@H]1C	ZINC001106143143	871302282	/nfs/dbraw/zinc/30/22/82/871302282.db2.gz	SSHBJVIKDPOVJY-BRWVUGGUSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCOCCOC)[C@H](C)C1	ZINC001106146978	871401667	/nfs/dbraw/zinc/40/16/67/871401667.db2.gz	PPMYQJXEZLHBAF-TVFCKZIOSA-N	1	0	354.491	1.315	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)[C@H](C)C1	ZINC001106146906	871401823	/nfs/dbraw/zinc/40/18/23/871401823.db2.gz	NRMBLOKQMATHQX-VQHPVUNQSA-N	1	0	365.518	1.566	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C1	ZINC001106177377	871613202	/nfs/dbraw/zinc/61/32/02/871613202.db2.gz	ZRMSYYDAVZSCGL-TZMCWYRMSA-N	1	0	364.939	1.884	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H](CC)c2ccccc2OCC(=O)N(C)C)C1=O	ZINC000499600124	871686823	/nfs/dbraw/zinc/68/68/23/871686823.db2.gz	KLKIUGWDTZMMOC-IRXDYDNUSA-N	1	0	359.470	1.981	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@@H](C)N2CCc3sccc3C2)CC1	ZINC000914192958	871744204	/nfs/dbraw/zinc/74/42/04/871744204.db2.gz	MQWHDMCKKDTHQV-OAHLLOKOSA-N	1	0	360.527	1.892	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cnoc2-c2ccco2)[C@H](OC)C1	ZINC001212477051	871751849	/nfs/dbraw/zinc/75/18/49/871751849.db2.gz	QKADQZOKHCXTLX-GDBMZVCRSA-N	1	0	361.398	1.566	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)CC1	ZINC000922077126	871851083	/nfs/dbraw/zinc/85/10/83/871851083.db2.gz	MINQJBUYRRCSLF-UHFFFAOYSA-N	1	0	374.432	1.543	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cnc3ccc(OC)nn32)[C@H](OC)C1	ZINC001212481248	871934712	/nfs/dbraw/zinc/93/47/12/871934712.db2.gz	IWVIVNMEWYATQI-UKRRQHHQSA-N	1	0	359.430	1.133	20	30		FDEDRO
C=C1CC(C)(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[NH+]4CCC2CC4)C3)C1	ZINC001002947549	871955706	/nfs/dbraw/zinc/95/57/06/871955706.db2.gz	IDXWZVIPDLVDRV-XDNAFOTISA-N	1	0	357.498	1.933	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2cccc(OCC(=O)N(C)C)c2)CC1	ZINC000914249483	872003881	/nfs/dbraw/zinc/00/38/81/872003881.db2.gz	LIYQGZVVDKUWFO-UHFFFAOYSA-N	1	0	372.469	1.050	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ncn3ccc(C)cc23)[C@H](OC)C1	ZINC001212491224	872328781	/nfs/dbraw/zinc/32/87/81/872328781.db2.gz	BHJNFOWAOBYHDB-NVXWUHKLSA-N	1	0	358.442	1.274	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001033490717	882619200	/nfs/dbraw/zinc/61/92/00/882619200.db2.gz	VJKDSUHZQIQDLJ-ZIFCJYIRSA-N	1	0	356.470	1.710	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCc2cnn(C)c2)C1	ZINC001033497133	882626218	/nfs/dbraw/zinc/62/62/18/882626218.db2.gz	SNMPAOHVHNNXMO-QYZOEREBSA-N	1	0	360.502	1.867	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)COCc2ccc(OC)cc2)[C@H](OC)C1	ZINC001212500606	872650412	/nfs/dbraw/zinc/65/04/12/872650412.db2.gz	GCDKWCSHWGXLLJ-RTBURBONSA-N	1	0	362.470	1.993	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC001003150405	872695884	/nfs/dbraw/zinc/69/58/84/872695884.db2.gz	JPVNLMUCYUGRNL-YFTGLANFSA-N	1	0	355.442	1.088	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1	ZINC000992897847	873137866	/nfs/dbraw/zinc/13/78/66/873137866.db2.gz	JIXPJGIBXYWJPY-WAOWUJCRSA-N	1	0	357.498	1.581	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1	ZINC000992898291	873138861	/nfs/dbraw/zinc/13/88/61/873138861.db2.gz	KBGBNPFSQBIWTQ-BBTUJRGHSA-N	1	0	357.498	1.581	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2)c1	ZINC001003364559	873181744	/nfs/dbraw/zinc/18/17/44/873181744.db2.gz	ICFNPQNMBLBZQS-YSIASYRMSA-N	1	0	369.465	1.690	20	30		FDEDRO
C[C@H](C#N)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1C[NH+](C)C)C2	ZINC001003365402	873244405	/nfs/dbraw/zinc/24/44/05/873244405.db2.gz	ANILJPMVBQGHRU-UWIFEVILSA-N	1	0	354.454	1.770	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccns2)CC1	ZINC001003366240	873245966	/nfs/dbraw/zinc/24/59/66/873245966.db2.gz	VODYJFNMGKVOAL-OAGGEKHMSA-N	1	0	372.494	1.350	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCOC(C)C)[C@H](C)C1	ZINC001106191942	873268414	/nfs/dbraw/zinc/26/84/14/873268414.db2.gz	SKLRCKRLDBZGSL-QZTJIDSGSA-N	1	0	367.534	1.958	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)[C@H](C)C1	ZINC001106194583	873280348	/nfs/dbraw/zinc/28/03/48/873280348.db2.gz	TZICZOZZDHFZQT-BRWVUGGUSA-N	1	0	371.547	1.308	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN(C(C)(C)C)C2=O)[C@@H](O)C1	ZINC001083717611	873301461	/nfs/dbraw/zinc/30/14/61/873301461.db2.gz	FWMWNBIRSONMFI-OAGGEKHMSA-N	1	0	351.491	1.151	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)C1	ZINC001003397491	873310246	/nfs/dbraw/zinc/31/02/46/873310246.db2.gz	SWAPTYKXGVPGPT-MANSERQUSA-N	1	0	357.498	1.626	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CC2)[C@H](C)C1)OCC	ZINC001106197224	873453988	/nfs/dbraw/zinc/45/39/88/873453988.db2.gz	MDZMIMXQEROSIE-BFYDXBDKSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCC)[C@H](C)C1)OCC	ZINC001106197299	873456550	/nfs/dbraw/zinc/45/65/50/873456550.db2.gz	PGMKQMFYZGLTHE-BRWVUGGUSA-N	1	0	353.507	1.568	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](C[NH2+]Cc2cnnn2CC)[C@H](C)C1)OCC	ZINC001106197298	873456841	/nfs/dbraw/zinc/45/68/41/873456841.db2.gz	PFZXNYPLZKOVCC-NUJGCVRESA-N	1	0	363.506	1.853	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@@H]2O)C1	ZINC001083719833	873551986	/nfs/dbraw/zinc/55/19/86/873551986.db2.gz	YOELXNUDNJSMCP-ZCNNSNEGSA-N	1	0	370.497	1.342	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(Br)n[nH]2)C[C@H]1C	ZINC001106198438	873602159	/nfs/dbraw/zinc/60/21/59/873602159.db2.gz	ARGDOMWBAKOUQD-VXGBXAGGSA-N	1	0	369.263	1.120	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C)C1	ZINC000993016459	873698924	/nfs/dbraw/zinc/69/89/24/873698924.db2.gz	VKLHKZMMCHSTDS-OPYAIIAOSA-N	1	0	357.498	1.581	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(OCC(N)=O)c2)C[C@H]1C	ZINC001106205592	873703095	/nfs/dbraw/zinc/70/30/95/873703095.db2.gz	RGPCJAHHAHIEJB-IUODEOHRSA-N	1	0	365.861	1.601	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](N(C)c3ccc(C#N)nn3)C2)CC[N@@H+]1C	ZINC001061280923	873727266	/nfs/dbraw/zinc/72/72/66/873727266.db2.gz	JLUGRFPQNLOMMN-IXDOHACOSA-N	1	0	356.474	1.506	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@]2(C)C1)[NH+](C)C	ZINC000993032186	873788488	/nfs/dbraw/zinc/78/84/88/873788488.db2.gz	QHSZOXOYBNSZPI-SYNHAJSKSA-N	1	0	371.485	1.393	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000761662244	873883211	/nfs/dbraw/zinc/88/32/11/873883211.db2.gz	BBFQNSDCCJDQFX-HZPDHXFCSA-N	1	0	362.405	1.791	20	30		FDEDRO
C[NH+]1CCN(C(C)(C)CNC(=O)Nc2ccc(F)cc2OCC#N)CC1	ZINC000761665266	873907497	/nfs/dbraw/zinc/90/74/97/873907497.db2.gz	QWOXKTFKBOIIDT-UHFFFAOYSA-N	1	0	363.437	1.876	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](Cc2cccc(C(N)=O)c2)CC1	ZINC001003649921	873939697	/nfs/dbraw/zinc/93/96/97/873939697.db2.gz	OBCFYWFILQOVLJ-MSOLQXFVSA-N	1	0	357.454	1.457	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)n2nnnc2C(C)(C)C)C[C@H]1C	ZINC001106229380	874004958	/nfs/dbraw/zinc/00/49/58/874004958.db2.gz	UMIIDTOHZZAVPL-KWCYVHTRSA-N	1	0	368.913	1.968	20	30		FDEDRO
CCc1[nH]nc(Cl)c1C(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1	ZINC001106235186	874046838	/nfs/dbraw/zinc/04/68/38/874046838.db2.gz	LUFYVOOMWVONBZ-CHWSQXEVSA-N	1	0	352.866	1.573	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]CCOCCOC)[C@H](C)C2)CCOCC1	ZINC001106234748	874054373	/nfs/dbraw/zinc/05/43/73/874054373.db2.gz	AKDGHXMLFZSWHD-QZTJIDSGSA-N	1	0	366.502	1.154	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]CC(=O)N[C@H](C)C3CC3)[C@H](C)C2)CCC1	ZINC001106236473	874062980	/nfs/dbraw/zinc/06/29/80/874062980.db2.gz	QJYPXLPYAASZCO-JFIYKMOQSA-N	1	0	359.514	1.779	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]C[C@@H](O)Cn3cccn3)[C@H](C)C2)CCC1	ZINC001106236662	874064210	/nfs/dbraw/zinc/06/42/10/874064210.db2.gz	YSWSYEHSVGBGJT-KZNAEPCWSA-N	1	0	358.486	1.122	20	30		FDEDRO
C=CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1	ZINC000282343777	874075382	/nfs/dbraw/zinc/07/53/82/874075382.db2.gz	RUIAHCMFKHOELG-MRXNPFEDSA-N	1	0	358.490	1.765	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(F)c(F)c2)C[C@H]1C	ZINC001106252471	874144665	/nfs/dbraw/zinc/14/46/65/874144665.db2.gz	OOSNEYYEWWQZIO-VNHYZAJKSA-N	1	0	365.424	1.953	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COCC2CCCC2)C[C@H]1C	ZINC001106265091	874249375	/nfs/dbraw/zinc/24/93/75/874249375.db2.gz	SCFPNSRTNDRKQW-NVXWUHKLSA-N	1	0	351.491	1.180	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2nccc3cccnc32)C[C@H]1C	ZINC001106264708	874257586	/nfs/dbraw/zinc/25/75/86/874257586.db2.gz	KEBODTRKEQVHAY-NVXWUHKLSA-N	1	0	352.438	1.577	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2C)[C@@H](n2ccnn2)C1	ZINC001128705700	882814123	/nfs/dbraw/zinc/81/41/23/882814123.db2.gz	RIKPQQUQZAHRDP-XKQJLSEDSA-N	1	0	357.462	1.330	20	30		FDEDRO
Cc1noc(C(C)C)c1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106280646	874393372	/nfs/dbraw/zinc/39/33/72/874393372.db2.gz	VIHRQOBOXWOMFH-TZMCWYRMSA-N	1	0	361.446	1.044	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3nc(C)oc3c2)C[C@H]1C	ZINC001106282090	874414510	/nfs/dbraw/zinc/41/45/10/874414510.db2.gz	TULWZGCFXBIHNF-CZUORRHYSA-N	1	0	370.453	1.736	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)CN1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000495082236	874486389	/nfs/dbraw/zinc/48/63/89/874486389.db2.gz	ILUABTZNFLCFRJ-QUCCMNQESA-N	1	0	360.498	1.809	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cscc2Cl)C[C@H]1C	ZINC001106291245	874537797	/nfs/dbraw/zinc/53/77/97/874537797.db2.gz	XOCYBSZYCHMVSZ-FRRDWIJNSA-N	1	0	367.902	1.837	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3oc(C)nc3c2)C[C@H]1C	ZINC001106297745	874594454	/nfs/dbraw/zinc/59/44/54/874594454.db2.gz	HGJHQCBCJYQVPS-CZUORRHYSA-N	1	0	368.437	1.183	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C)c(F)cc2F)C[C@H]1C	ZINC001106302803	874636129	/nfs/dbraw/zinc/63/61/29/874636129.db2.gz	RIYTUMSASLPWEH-ZIAGYGMSSA-N	1	0	365.424	1.873	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@]2(C)C1	ZINC000993132626	874659546	/nfs/dbraw/zinc/65/95/46/874659546.db2.gz	FXCAKODMXKWZRM-OHNRDTAOSA-N	1	0	351.410	1.414	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2nc(C)sc2C)C[C@H]1C	ZINC001106305647	874666747	/nfs/dbraw/zinc/66/67/47/874666747.db2.gz	FCVNZXLHXZDHFS-LALPHHSUSA-N	1	0	364.515	1.748	20	30		FDEDRO
N#CCSCC(=O)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001128724204	882862463	/nfs/dbraw/zinc/86/24/63/882862463.db2.gz	VHKHREMBZUWWPX-SJORKVTESA-N	1	0	370.482	1.119	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(OCC=C)cc2)C[C@H]1C	ZINC001106331167	874803941	/nfs/dbraw/zinc/80/39/41/874803941.db2.gz	OXXIRVPTDGPYJM-SJLPKXTDSA-N	1	0	369.465	1.299	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(F)cn2)C[C@H]1C	ZINC001106332789	874817798	/nfs/dbraw/zinc/81/77/98/874817798.db2.gz	YYAWLIMDHVBIDG-RBSFLKMASA-N	1	0	362.449	1.138	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)c3ccccc23)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106386938	875021968	/nfs/dbraw/zinc/02/19/68/875021968.db2.gz	PGWMATBLTDJBJT-HUUCEWRRSA-N	1	0	367.453	1.116	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)sc2C)C[C@H]1C	ZINC001106387342	875029505	/nfs/dbraw/zinc/02/95/05/875029505.db2.gz	KSKJUSBSBQNXKZ-IVMMDQJWSA-N	1	0	361.511	1.801	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc3ncccc3o2)C[C@H]1C	ZINC001106441080	875310903	/nfs/dbraw/zinc/31/09/03/875310903.db2.gz	SVSGAVZPIHTQFJ-RBSFLKMASA-N	1	0	368.437	1.263	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCc1ccccc1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1	ZINC001060521789	875352362	/nfs/dbraw/zinc/35/23/62/875352362.db2.gz	KRWQRHXZCCMJEG-IAOVAPTHSA-N	1	0	365.437	1.948	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]C[C@H](C)O)C2)cc1	ZINC001112542584	882928426	/nfs/dbraw/zinc/92/84/26/882928426.db2.gz	GZSUSBDQXPRKSP-MDKPJZGXSA-N	1	0	356.466	1.911	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C)ccc2C2CC2)C[C@H]1C	ZINC001106466905	875521191	/nfs/dbraw/zinc/52/11/91/875521191.db2.gz	AEEDEAQNQUFGIF-SJLPKXTDSA-N	1	0	367.493	1.920	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H](NC(=O)[C@H]3Cc4ccc(F)cc43)[C@@H](O)C2)s1	ZINC001083729984	875526709	/nfs/dbraw/zinc/52/67/09/875526709.db2.gz	KKNBSOLYKPASGE-KSZLIROESA-N	1	0	371.437	1.760	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CCOC2)C[C@H]1C	ZINC001106481242	875617492	/nfs/dbraw/zinc/61/74/92/875617492.db2.gz	OQAPJBLFDPWGTN-BZUAXINKSA-N	1	0	362.474	1.414	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCC2)[C@H](C)C1	ZINC001106486208	875639933	/nfs/dbraw/zinc/63/99/33/875639933.db2.gz	LYOSFNUJIJRLSP-MBOZVWFJSA-N	1	0	365.518	1.522	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]CCc2ccnn2C)[C@H](C)C1	ZINC001106486580	875642723	/nfs/dbraw/zinc/64/27/23/875642723.db2.gz	YLYUGYFERTYZNI-HLIPFELVSA-N	1	0	362.518	1.876	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc3ccsc3[nH]2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106499665	875718452	/nfs/dbraw/zinc/71/84/52/875718452.db2.gz	LNWPOBSPNXEGSS-DGCLKSJQSA-N	1	0	359.455	1.167	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccnc2-n2cccn2)C[C@H]1C	ZINC001106508499	875763271	/nfs/dbraw/zinc/76/32/71/875763271.db2.gz	MEDIQGCNBQIQAR-IAGOWNOFSA-N	1	0	367.453	1.215	20	30		FDEDRO
COc1ccc(OC)c([C@@H](O)C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)c1	ZINC000915223504	875783182	/nfs/dbraw/zinc/78/31/82/875783182.db2.gz	NSHGXJMHNVEVNM-KXBFYZLASA-N	1	0	372.421	1.638	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2cccs2)C[C@H]1C	ZINC001106521652	875840816	/nfs/dbraw/zinc/84/08/16/875840816.db2.gz	VSMPXADDAXKRCC-HUUCEWRRSA-N	1	0	361.511	1.459	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc3n2CCOC3)[C@H](C)C1	ZINC001106563783	875963079	/nfs/dbraw/zinc/96/30/79/875963079.db2.gz	KEJBGFDJVLNFFG-ARFHVFGLSA-N	1	0	361.490	1.595	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](C[NH2+]CCOCCNC(C)=O)[C@H](C)C1	ZINC001106567272	875975956	/nfs/dbraw/zinc/97/59/56/875975956.db2.gz	BSXIKHNJQFMBBE-BPQIPLTHSA-N	1	0	353.507	1.426	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccn(CC)c2C)C[C@H]1C	ZINC001106571342	875985402	/nfs/dbraw/zinc/98/54/02/875985402.db2.gz	VYKVMWJZBLHWFA-BFYDXBDKSA-N	1	0	358.486	1.252	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(F)c(F)c2F)C[C@H]1C	ZINC001106598281	876102485	/nfs/dbraw/zinc/10/24/85/876102485.db2.gz	ZCYIBRPLGFZNKM-VXGBXAGGSA-N	1	0	367.371	1.151	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c(F)ccc(F)c2F)C[C@H]1C	ZINC001106597658	876122781	/nfs/dbraw/zinc/12/27/81/876122781.db2.gz	HECYADGFCJUDIG-VXGBXAGGSA-N	1	0	369.387	1.704	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3[nH]ccc3c2)C[C@H]1C	ZINC001106604928	876140695	/nfs/dbraw/zinc/14/06/95/876140695.db2.gz	FAGPAMPHZKJXHQ-RHSMWYFYSA-N	1	0	354.454	1.768	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(Cl)c(C)c2)C[C@H]1C	ZINC001106616939	876229342	/nfs/dbraw/zinc/22/93/42/876229342.db2.gz	DWBATTLZPLAZQV-GDBMZVCRSA-N	1	0	361.873	1.696	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H](Cc2c[nH]cn2)NC(C)=O)C[C@H]1C	ZINC001106621650	876246414	/nfs/dbraw/zinc/24/64/14/876246414.db2.gz	XEIFKSKHCUZNEW-KYJSFNMBSA-N	1	0	361.490	1.107	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](C[NH2+]CCNS(=O)(=O)CC)[C@H](C)C1	ZINC001106628391	876271455	/nfs/dbraw/zinc/27/14/55/876271455.db2.gz	MTUFQHMYYGCUTA-BFYDXBDKSA-N	1	0	359.536	1.212	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C[NH2+]C[C@@H](O)Cn3cccn3)[C@H](C)C2)CC1	ZINC001106633892	876285368	/nfs/dbraw/zinc/28/53/68/876285368.db2.gz	XDYUPDBHDZYCKJ-BHIYHBOVSA-N	1	0	360.502	1.675	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]CC(=O)Nc3cnccn3)[C@H](C)C2)CCC1	ZINC001106635896	876319071	/nfs/dbraw/zinc/31/90/71/876319071.db2.gz	JFHMXDVUZOEKGH-HZPDHXFCSA-N	1	0	371.485	1.846	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)NCCCOC)[C@H](C)C2)C1	ZINC001106648536	876367967	/nfs/dbraw/zinc/36/79/67/876367967.db2.gz	JDAMTXARWXGTCU-BRWVUGGUSA-N	1	0	365.518	1.568	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCCCC3)[C@H](C)C2)c1	ZINC001106651368	876391322	/nfs/dbraw/zinc/39/13/22/876391322.db2.gz	SKAUUZVWIDILEP-VQIMIIECSA-N	1	0	368.481	1.373	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC/C=C\c2ccccc2)C[C@H]1C	ZINC001106660158	876454608	/nfs/dbraw/zinc/45/46/08/876454608.db2.gz	DEURJZGEIBIYFX-GDSCYZHGSA-N	1	0	367.493	1.914	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1C	ZINC001106672716	876518661	/nfs/dbraw/zinc/51/86/61/876518661.db2.gz	HIGANISGXKKSTB-MWLCHTKSSA-N	1	0	369.263	1.320	20	30		FDEDRO
CC[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1	ZINC001106687648	876566048	/nfs/dbraw/zinc/56/60/48/876566048.db2.gz	XOYBNKRQZDLLPQ-NIKGAXFTSA-N	1	0	356.470	1.657	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1	ZINC000917126112	883067678	/nfs/dbraw/zinc/06/76/78/883067678.db2.gz	NQQRJCRLCVDXFA-UHFFFAOYSA-N	1	0	357.382	1.401	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](O)C3CCCCC3)C[C@@H]2O)CC1	ZINC001083754577	883074521	/nfs/dbraw/zinc/07/45/21/883074521.db2.gz	XOYMLNFGZAIYOG-QYZOEREBSA-N	1	0	350.503	1.835	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnnn2-c2ccccc2)C[C@H]1C	ZINC001106710589	876895635	/nfs/dbraw/zinc/89/56/35/876895635.db2.gz	MNCHPCRIUBBPGV-IAGOWNOFSA-N	1	0	367.453	1.215	20	30		FDEDRO
C[C@@H](CC1CCCCC1)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106723785	876971278	/nfs/dbraw/zinc/97/12/78/876971278.db2.gz	QIJZTBOCQQHAFW-LZLYRXPVSA-N	1	0	362.518	1.917	20	30		FDEDRO
CN(C[C@@H]1CCCN(C)[C@H]1c1ccnn1C)S(=O)(=O)CC(C)(C)C#N	ZINC000915507646	876994877	/nfs/dbraw/zinc/99/48/77/876994877.db2.gz	LYLCLSZMXGWLOP-GOEBONIOSA-N	1	0	367.519	1.614	20	30		FDEDRO
C[C@H](CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)c1ccccc1	ZINC001106731166	877234201	/nfs/dbraw/zinc/23/42/01/877234201.db2.gz	HMNORSVBKDBHJT-ZHALLVOQSA-N	1	0	370.497	1.894	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccsc2Cl)C[C@H]1C	ZINC001106732998	877265113	/nfs/dbraw/zinc/26/51/13/877265113.db2.gz	DSMPKCWMDCIQSG-JHJVBQTASA-N	1	0	367.902	1.837	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)N(C)C)[C@H](C)C2)cc1	ZINC001106740346	877405825	/nfs/dbraw/zinc/40/58/25/877405825.db2.gz	LDMUUSPTKULBIW-JFIYKMOQSA-N	1	0	371.481	1.473	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]CCc3ccns3)[C@H](C)C2)nn1	ZINC001106743856	877427404	/nfs/dbraw/zinc/42/74/04/877427404.db2.gz	WPAWFTJVFWCAPU-ZIAGYGMSSA-N	1	0	360.487	1.461	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCn2cccn2)[C@H](C)C1	ZINC001106749185	877466962	/nfs/dbraw/zinc/46/69/62/877466962.db2.gz	ZXWCEWBWTISSPB-YRXWBPOGSA-N	1	0	360.502	1.939	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2nc(CC)oc2C)C[C@H]1C	ZINC001106753612	877558479	/nfs/dbraw/zinc/55/84/79/877558479.db2.gz	HOUSQBPRFLCJEY-VNHYZAJKSA-N	1	0	362.474	1.534	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CCCCN2CCOCC2)C[C@H]1C	ZINC001106765578	877639984	/nfs/dbraw/zinc/63/99/84/877639984.db2.gz	JMEMDZNWVZMGLF-NVXWUHKLSA-N	1	0	357.926	1.926	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCOc3ccccc32)C[C@H]1C	ZINC001106769824	877683130	/nfs/dbraw/zinc/68/31/30/877683130.db2.gz	LOVYVKDTAWZBAN-NUJGCVRESA-N	1	0	371.481	1.539	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCOc3ccccc32)C[C@H]1C	ZINC001106769965	877683391	/nfs/dbraw/zinc/68/33/91/877683391.db2.gz	NUVSRSKVZYFUGQ-ZHALLVOQSA-N	1	0	356.466	1.887	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2ncc3ccccc32)C[C@H]1C	ZINC001106771955	877713873	/nfs/dbraw/zinc/71/38/73/877713873.db2.gz	FWAGHVQJHILLCZ-NVXWUHKLSA-N	1	0	369.469	1.023	20	30		FDEDRO
C=CCOCC(=O)N(C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1	ZINC001078884047	877812126	/nfs/dbraw/zinc/81/21/26/877812126.db2.gz	ANNYUTFQXGPFPR-OKZBNKHCSA-N	1	0	365.518	1.759	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3CN(C(=O)C[N@H+]4CC[C@@H](C)C4)C[C@@]3(C)C2)C1	ZINC000993397960	877877395	/nfs/dbraw/zinc/87/73/95/877877395.db2.gz	ZFULQXHWSDRHNE-CEQIKUNHSA-N	1	0	359.514	1.991	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2CCN(C(=O)Nc3ccccc3)C2)CC1	ZINC000922379015	877964791	/nfs/dbraw/zinc/96/47/91/877964791.db2.gz	YHSDUJZWQQBRLR-SFHVURJKSA-N	1	0	369.469	1.690	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnn(C(F)F)c2)C[C@H]1C	ZINC001106802278	878031385	/nfs/dbraw/zinc/03/13/85/878031385.db2.gz	YEXKBLVRKBLADE-JHJVBQTASA-N	1	0	369.416	1.267	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)COC)C[C@H]1C	ZINC001106818500	878266514	/nfs/dbraw/zinc/26/65/14/878266514.db2.gz	OFXONIRXNSATLM-BRWVUGGUSA-N	1	0	366.506	1.105	20	30		FDEDRO
C=C(C)COc1cc(C[NH2+]C[C@]2(OC)CCS(=O)(=O)C2)ccc1OC	ZINC000922616765	878794004	/nfs/dbraw/zinc/79/40/04/878794004.db2.gz	RTQQBAVLMIFFHB-GOSISDBHSA-N	1	0	369.483	1.943	20	30		FDEDRO
N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1	ZINC000946589069	878861013	/nfs/dbraw/zinc/86/10/13/878861013.db2.gz	DPIFQAQIPGRXRY-FCGDIQPGSA-N	1	0	368.437	1.894	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCO[C@@H]3C[N@H+](C[C@H]4CCCOC4)C[C@@H]32)cc1	ZINC001083159981	912413781	/nfs/dbraw/zinc/41/37/81/912413781.db2.gz	DKAQISNKGIDYOQ-YZGWKJHDSA-N	1	0	354.450	1.620	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O	ZINC001083832426	879200945	/nfs/dbraw/zinc/20/09/45/879200945.db2.gz	GKGPDPCZHJGIPL-AABGKKOBSA-N	1	0	370.497	1.482	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)cn1	ZINC001004387761	879336994	/nfs/dbraw/zinc/33/69/94/879336994.db2.gz	BPRRCKVYHCCBQX-KURKYZTESA-N	1	0	364.449	1.020	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)c(OC)c1	ZINC000280690101	879492823	/nfs/dbraw/zinc/49/28/23/879492823.db2.gz	HNQBERLRLWSWBH-DJIMGWMZSA-N	1	0	363.454	1.904	20	30		FDEDRO
O=C([C@@H]1CCCO1)N1CCN(C(NCCc2ccco2)=[NH+]C2CC2)CC1	ZINC000073775521	879685431	/nfs/dbraw/zinc/68/54/31/879685431.db2.gz	RTGBDLGKAZRIAO-KRWDZBQOSA-N	1	0	360.458	1.253	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2c3ccccc3nn2C)C[C@H]1C	ZINC001106833523	879740499	/nfs/dbraw/zinc/74/04/99/879740499.db2.gz	LTYAQIBIHKMJJT-HZPDHXFCSA-N	1	0	354.454	1.521	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)CC1	ZINC000993860689	879815708	/nfs/dbraw/zinc/81/57/08/879815708.db2.gz	OXSCZEADJBTLJF-JTDSTZFVSA-N	1	0	355.482	1.261	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCCN(C)C(=O)C1([NH+](C)C)CCC1	ZINC001067636384	879874431	/nfs/dbraw/zinc/87/44/31/879874431.db2.gz	RKASYCDBNQSPNB-CVEARBPZSA-N	1	0	351.491	1.369	20	30		FDEDRO
COc1ccc(C(=O)N2C[C@@H](C[NH2+]CC#Cc3ccccc3)[C@H](C)C2)nn1	ZINC001106835741	879931484	/nfs/dbraw/zinc/93/14/84/879931484.db2.gz	QVEWSMNHIBARIQ-SJLPKXTDSA-N	1	0	364.449	1.835	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]2OC)C1	ZINC000946635412	879957591	/nfs/dbraw/zinc/95/75/91/879957591.db2.gz	PMPYPKHMPBGNPI-IAGOWNOFSA-N	1	0	368.437	1.646	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC000993909585	880117112	/nfs/dbraw/zinc/11/71/12/880117112.db2.gz	SWFSYJXENSYXTA-HZPDHXFCSA-N	1	0	371.485	1.443	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)[C@H](C)C1	ZINC000993919815	880151584	/nfs/dbraw/zinc/15/15/84/880151584.db2.gz	ZEDXTFZWYPFMGO-KYJSFNMBSA-N	1	0	371.485	1.583	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC000994056470	880562765	/nfs/dbraw/zinc/56/27/65/880562765.db2.gz	XCFNAPSIKYUOHJ-QBIMZIAESA-N	1	0	369.469	1.052	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)c3cc[nH]c3)C[C@H]2C)CC1	ZINC000994133602	880732591	/nfs/dbraw/zinc/73/25/91/880732591.db2.gz	CHVQGFAJCZWMMM-CRAIPNDOSA-N	1	0	356.470	1.184	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@]2(C)CCN(C(C)=O)C2)C[C@H]1C	ZINC001106844514	880925234	/nfs/dbraw/zinc/92/52/34/880925234.db2.gz	AHLKLGIQARQKPN-SUMDDJOVSA-N	1	0	351.491	1.132	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)nc1	ZINC000994215630	881051392	/nfs/dbraw/zinc/05/13/92/881051392.db2.gz	DLRODBTXYZBLDW-CRAIPNDOSA-N	1	0	368.481	1.229	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(S(=O)(=O)c2cnc(C)c(C#N)c2)CC1	ZINC000489815852	881167197	/nfs/dbraw/zinc/16/71/97/881167197.db2.gz	DEPAGHXOALOJFY-UHFFFAOYSA-N	1	0	373.438	1.176	20	30		FDEDRO
Cc1c(C(=O)NC[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)ccc2c[nH+]cn21	ZINC000994237160	881204526	/nfs/dbraw/zinc/20/45/26/881204526.db2.gz	MBFANHMYBQCWFU-GZBFAFLISA-N	1	0	353.426	1.627	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](CCc2ccnn2C)C1	ZINC001033837148	883191617	/nfs/dbraw/zinc/19/16/17/883191617.db2.gz	KTUPASZMCYJJOC-QRVBRYPASA-N	1	0	360.502	1.867	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1	ZINC000917441591	883420050	/nfs/dbraw/zinc/42/00/50/883420050.db2.gz	ISORUYOQARQHSU-MRXNPFEDSA-N	1	0	364.490	1.783	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H](C)[NH+]2CCCCC2)c1	ZINC000917661249	883642422	/nfs/dbraw/zinc/64/24/22/883642422.db2.gz	UIRQGHKWJUDDRK-OAHLLOKOSA-N	1	0	365.499	1.755	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000670484202	883763974	/nfs/dbraw/zinc/76/39/74/883763974.db2.gz	ZPSBUPURFPXSSE-UHFFFAOYSA-N	1	0	359.470	1.428	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCCNC(=O)c2cccc(F)c2)CC1	ZINC000917880829	883897268	/nfs/dbraw/zinc/89/72/68/883897268.db2.gz	DGSQQMNGSPWSQH-UHFFFAOYSA-N	1	0	360.433	1.342	20	30		FDEDRO
CC(C)(C)CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](n2ccnn2)C1	ZINC001128878383	883918316	/nfs/dbraw/zinc/91/83/16/883918316.db2.gz	RAOGRUODUAHOFE-SJORKVTESA-N	1	0	369.473	1.959	20	30		FDEDRO
CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1	ZINC001034249846	883975235	/nfs/dbraw/zinc/97/52/35/883975235.db2.gz	ONXDPCRKKLGZEX-QRVBRYPASA-N	1	0	358.486	1.882	20	30		FDEDRO
C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)C1	ZINC001117894082	884027217	/nfs/dbraw/zinc/02/72/17/884027217.db2.gz	FBKQNVWTUGANMC-QFBILLFUSA-N	1	0	358.417	1.183	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1n1ccnn1	ZINC001128908442	884053236	/nfs/dbraw/zinc/05/32/36/884053236.db2.gz	YIJXZOGZBHOWPZ-KSZLIROESA-N	1	0	359.474	1.240	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2cccc(C#N)c2)C1	ZINC001034403706	884316209	/nfs/dbraw/zinc/31/62/09/884316209.db2.gz	AGTREPYRPQOMHU-CEXWTWQISA-N	1	0	368.481	1.753	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C)c1	ZINC000994567113	884319837	/nfs/dbraw/zinc/31/98/37/884319837.db2.gz	OFDYIXBFUQGPNC-OHDICMOHSA-N	1	0	368.481	1.227	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CC/C=C\CCC)C[C@@H]1n1ccnn1	ZINC001128961295	884484655	/nfs/dbraw/zinc/48/46/55/884484655.db2.gz	AWKOPGMGWSYLMJ-MNIZJQTHSA-N	1	0	361.490	1.693	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)C[C@@](C)(O)C=C)[C@@H](n2ccnn2)C1	ZINC001128962289	884487362	/nfs/dbraw/zinc/48/73/62/884487362.db2.gz	RZSCUTMRCHFKDK-AOIWGVFYSA-N	1	0	361.490	1.693	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(CC[NH2+][C@H]2CCCNC2=O)CC1	ZINC001034568497	884506689	/nfs/dbraw/zinc/50/66/89/884506689.db2.gz	CQBPPEFCNCPGDA-SQNIBIBYSA-N	1	0	363.502	1.465	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1C[N@H+](CCc2cccs2)C[C@@H]1n1ccnn1	ZINC001128971405	884521492	/nfs/dbraw/zinc/52/14/92/884521492.db2.gz	JAOXGPKZIQTWEI-SJORKVTESA-N	1	0	357.483	1.583	20	30		FDEDRO
Cc1nn2c(nc3ccccc3c2=O)c1=CNNCC[NH+]1CCCCC1	ZINC000918712178	884848260	/nfs/dbraw/zinc/84/82/60/884848260.db2.gz	FWWYIUGGWZSBAD-UHFFFAOYSA-N	1	0	352.442	1.894	20	30		FDEDRO
N#Cc1ccc(N2CCN(Cc3ccc(OCC(N)=O)cc3)CC2)nc1	ZINC000918749094	884908983	/nfs/dbraw/zinc/90/89/83/884908983.db2.gz	UTCIDMYZHHQNSU-UHFFFAOYSA-N	1	0	351.410	1.140	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC2)c1	ZINC001034732436	884922787	/nfs/dbraw/zinc/92/27/87/884922787.db2.gz	ASZXTRAKSRTVJD-XLAORIBOSA-N	1	0	370.453	1.108	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncnn2CCC)CC1	ZINC001034736612	884930788	/nfs/dbraw/zinc/93/07/88/884930788.db2.gz	HGCLOYCOIJMFCM-VQHPVUNQSA-N	1	0	361.490	1.796	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@@H]1n1ccnn1	ZINC001128998846	884936998	/nfs/dbraw/zinc/93/69/98/884936998.db2.gz	HVMGJSBUVZSECN-MOPGFXCFSA-N	1	0	371.485	1.550	20	30		FDEDRO
C[C@H](CNc1ncccc1C#N)NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1	ZINC001108153887	884982244	/nfs/dbraw/zinc/98/22/44/884982244.db2.gz	JXAJSQWJZYJOII-OLMNPRSZSA-N	1	0	371.485	1.617	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@H+](CCCC2CCC2)C[C@@H]1n1ccnn1	ZINC001129003843	884990934	/nfs/dbraw/zinc/99/09/34/884990934.db2.gz	JLJDTXHQIOVLLR-MSOLQXFVSA-N	1	0	359.474	1.240	20	30		FDEDRO
Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1C#N	ZINC000918906295	885008267	/nfs/dbraw/zinc/00/82/67/885008267.db2.gz	MITJGYZVVOXESI-SFHVURJKSA-N	1	0	355.486	1.834	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCc1ccc(C[NH2+][C@@H]2CCNC2=O)cc1	ZINC001034818476	885167996	/nfs/dbraw/zinc/16/79/96/885167996.db2.gz	HSGRALZPCXMKDN-KURKYZTESA-N	1	0	357.454	1.262	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cncc(OC)n2)C1	ZINC000999540526	912910676	/nfs/dbraw/zinc/91/06/76/912910676.db2.gz	XCNFXFASBKKTLS-NTKFSPQFSA-N	1	0	360.458	1.545	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(C[NH2+][C@@H]2CCCNC2=O)cc1	ZINC001034828969	885236827	/nfs/dbraw/zinc/23/68/27/885236827.db2.gz	OBFJSOUZMRVHIM-KURKYZTESA-N	1	0	357.454	1.262	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CC2CCCCC2)C[C@@H]1O	ZINC001083968326	912912555	/nfs/dbraw/zinc/91/25/55/912912555.db2.gz	PXRKHKSSLPJKQS-MSOLQXFVSA-N	1	0	357.454	1.449	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCc4ccccc43)C[C@@H]2O)cn1	ZINC001083968736	912913815	/nfs/dbraw/zinc/91/38/15/912913815.db2.gz	CESGPKNJPPEOGK-HKBOAZHASA-N	1	0	361.445	1.915	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1n1ccnn1	ZINC001129020133	885252132	/nfs/dbraw/zinc/25/21/32/885252132.db2.gz	LKMZBBOWYRYJPY-BBWFWOEESA-N	1	0	361.490	1.649	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1n1ccnn1	ZINC001129025023	885281007	/nfs/dbraw/zinc/28/10/07/885281007.db2.gz	DCZHFLVXQQMREY-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCC(F)(F)C3)C[C@@H]2O)cn1	ZINC001083970813	912922410	/nfs/dbraw/zinc/92/24/10/912922410.db2.gz	JFRPUEADWPAWIR-XKQJLSEDSA-N	1	0	363.408	1.663	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CCOc2cccc(F)c2)[C@@H](n2ccnn2)C1	ZINC001129031853	885353409	/nfs/dbraw/zinc/35/34/09/885353409.db2.gz	IJPWTSCBKBXUJI-MSOLQXFVSA-N	1	0	371.416	1.251	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCCC=C)C[C@@H]2n2ccnn2)CCOCC1	ZINC001129043172	885515093	/nfs/dbraw/zinc/51/50/93/885515093.db2.gz	KNOIKRUMOOYMDG-MSOLQXFVSA-N	1	0	371.485	1.406	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC(C)(C)C1	ZINC001089490945	885619377	/nfs/dbraw/zinc/61/93/77/885619377.db2.gz	GDBCTHLEXCBQQG-BBWFWOEESA-N	1	0	363.502	1.252	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[N@@H+](C)CC[C@H]1C	ZINC000498730810	885641804	/nfs/dbraw/zinc/64/18/04/885641804.db2.gz	ZURSAAJWRCQETM-CYBMUJFWSA-N	1	0	354.458	1.703	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)Cn2nc(C)cc2C)[C@@H](n2ccnn2)C1	ZINC001129093154	885720719	/nfs/dbraw/zinc/72/07/19/885720719.db2.gz	AFRUZKUJGJNJPA-SJORKVTESA-N	1	0	357.462	1.099	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2nc(C)cc2C)[C@@H](n2ccnn2)C1	ZINC001129093465	885721534	/nfs/dbraw/zinc/72/15/34/885721534.db2.gz	HMSABLCGEPAEAZ-JQHSSLGASA-N	1	0	371.489	1.488	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccc(OC)nc2)[C@@H](n2ccnn2)C1	ZINC001129093284	885722159	/nfs/dbraw/zinc/72/21/59/885722159.db2.gz	CXVBGJXGRKUFAF-CVEARBPZSA-N	1	0	356.430	1.303	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](OC)c2ccccc2)C[C@H]1C	ZINC001106894637	885762750	/nfs/dbraw/zinc/76/27/50/885762750.db2.gz	PXJDNNVKYGHGPH-SZVBFZGTSA-N	1	0	359.470	1.360	20	30		FDEDRO
CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)CC2	ZINC001035209451	885785269	/nfs/dbraw/zinc/78/52/69/885785269.db2.gz	MRPZDHFLGXUZJR-SJORKVTESA-N	1	0	361.486	1.137	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2c(C)nn(C)c2C)[C@@H](n2ccnn2)C1	ZINC001129139057	885840176	/nfs/dbraw/zinc/84/01/76/885840176.db2.gz	DYTFLSMSMUKOBF-XKQJLSEDSA-N	1	0	371.489	1.638	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CCc2ccc(C)cc2C)[C@@H](n2ccnn2)C1	ZINC001129139590	885843118	/nfs/dbraw/zinc/84/31/18/885843118.db2.gz	NFWDCDGFTFLILV-UXHICEINSA-N	1	0	365.481	1.893	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)CC(C)(C)C1	ZINC001089518064	885931039	/nfs/dbraw/zinc/93/10/39/885931039.db2.gz	YERLKIYUUAYGEU-FGTMMUONSA-N	1	0	358.486	1.528	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCC[N@H+]1CC=C(C)CC1	ZINC000498872499	885937468	/nfs/dbraw/zinc/93/74/68/885937468.db2.gz	MRJQLDYKQSPASX-UHFFFAOYSA-N	1	0	366.465	1.841	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(Cc3ccccc3C#N)CCO2)CC[N@@H+]1C	ZINC001035376750	885983851	/nfs/dbraw/zinc/98/38/51/885983851.db2.gz	SVEBAAFXTFSGMO-HSALFYBXSA-N	1	0	370.497	1.606	20	30		FDEDRO
C[N@@H+]1CCCN(CCCNS(=O)(=O)Cc2csc(C#N)c2)CC1	ZINC000919692740	886043142	/nfs/dbraw/zinc/04/31/42/886043142.db2.gz	HLAYZHIKAQTYKE-UHFFFAOYSA-N	1	0	356.517	1.067	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(C)(C)CC)[C@H](C)C2)nc1	ZINC001106897838	886325821	/nfs/dbraw/zinc/32/58/21/886325821.db2.gz	MVPWWWJNIIZUEP-NVXWUHKLSA-N	1	0	370.497	1.665	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(CC#Cc3ccccc3)C[C@H]2O)C1	ZINC001077553199	886358525	/nfs/dbraw/zinc/35/85/25/886358525.db2.gz	FZURDEMBYHUEBO-NJDAHSKKSA-N	1	0	369.509	1.321	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)[C@@H]3C[C@H]3CC)[C@H](C)C2)CC1	ZINC000994656822	886508055	/nfs/dbraw/zinc/50/80/55/886508055.db2.gz	NKOOTDYGIXKQSZ-PSBWJHGTSA-N	1	0	359.514	1.588	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1	ZINC000499185853	886536332	/nfs/dbraw/zinc/53/63/32/886536332.db2.gz	JRYHJSMYJGLHKD-OAHLLOKOSA-N	1	0	374.441	1.075	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001060740463	886628690	/nfs/dbraw/zinc/62/86/90/886628690.db2.gz	HMLIBKLTKWEEQC-CWQOZTLDSA-N	1	0	363.502	1.156	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C(C)(F)F)[C@@H](n2ccnn2)C1	ZINC001129266985	887055078	/nfs/dbraw/zinc/05/50/78/887055078.db2.gz	SHHNKPBSTNTBQZ-MCIONIFRSA-N	1	0	357.405	1.114	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C	ZINC001062354622	887073047	/nfs/dbraw/zinc/07/30/47/887073047.db2.gz	IPZSDYHTECRHDU-VQHPVUNQSA-N	1	0	351.491	1.415	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H](c3nccn3C)C2)CC1	ZINC000373114328	887109401	/nfs/dbraw/zinc/10/94/01/887109401.db2.gz	YMHZGNAZDGPTKP-ZWKOTPCHSA-N	1	0	372.517	1.292	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)C2(C#N)CCCCC2)C1	ZINC000920672960	887156714	/nfs/dbraw/zinc/15/67/14/887156714.db2.gz	CVWAYKLUNFKLDM-MRXNPFEDSA-N	1	0	365.474	1.477	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1=O)C1CC[NH+](C)CC1	ZINC000922900097	887158579	/nfs/dbraw/zinc/15/85/79/887158579.db2.gz	LTXKARRSCSWIEY-SFHVURJKSA-N	1	0	372.444	1.670	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)[C@H]3CC34CC4)[C@H](C)C2)CC1	ZINC000994692241	887199084	/nfs/dbraw/zinc/19/90/84/887199084.db2.gz	HDFOUJKASJEQQR-KBAYOESNSA-N	1	0	357.498	1.342	20	30		FDEDRO
C[C@@]1(CNC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCC[NH2+]C1	ZINC000415440777	887259588	/nfs/dbraw/zinc/25/95/88/887259588.db2.gz	OTIQUCONIIHPFB-GOSISDBHSA-N	1	0	356.405	2.394	20	30		FDEDRO
CN1CCC([NH+]2CCC(CCNc3ncc([N+](=O)[O-])cc3C#N)CC2)CC1	ZINC000371884142	887593652	/nfs/dbraw/zinc/59/36/52/887593652.db2.gz	MTKBMWFHUHMXJW-UHFFFAOYSA-N	1	0	372.473	2.470	20	30		FDEDRO
CO[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@H]1NC(=O)C#CC(C)(C)C	ZINC001212253667	887601245	/nfs/dbraw/zinc/60/12/45/887601245.db2.gz	ICKSIRUHXNKOPC-GUDVDZBRSA-N	1	0	358.482	1.455	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)NC[C@H]3CCC[C@@H]([NH3+])C3)n2)c(F)c1	ZINC000415442251	887662961	/nfs/dbraw/zinc/66/29/61/887662961.db2.gz	FFLFKRUJVXATGB-UONOGXRCSA-N	1	0	356.405	2.522	20	30		FDEDRO
C[C@H]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C[C@@H]1C[NH3+]	ZINC000415433619	887665046	/nfs/dbraw/zinc/66/50/46/887665046.db2.gz	GYNJOMPRUGIWKG-STQMWFEESA-N	1	0	356.405	2.332	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CN(C(=O)Nc3ccn(CCC#N)n3)C[C@H]2[C@H]1c1ccccc1	ZINC000372642415	887665077	/nfs/dbraw/zinc/66/50/77/887665077.db2.gz	CNUTWNZSCNWSIC-ZHALLVOQSA-N	1	0	364.453	2.563	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N[C@H]3CCCC[C@H]3C[NH3+])n2)c(F)c1	ZINC000415462403	887665681	/nfs/dbraw/zinc/66/56/81/887665681.db2.gz	PLUTZVAKZPHKCP-ZFWWWQNUSA-N	1	0	356.405	2.522	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](CC[NH+](C)C)c1cccnc1	ZINC000921479503	888050893	/nfs/dbraw/zinc/05/08/93/888050893.db2.gz	LAYOICIRTOWXGU-GDBMZVCRSA-N	1	0	353.492	1.390	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1OC	ZINC001212257656	888069681	/nfs/dbraw/zinc/06/96/81/888069681.db2.gz	HERUPHVZBAMIRX-DJIMGWMZSA-N	1	0	350.484	1.534	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)C[C@H]1OC	ZINC001212257801	888071091	/nfs/dbraw/zinc/07/10/91/888071091.db2.gz	IVJDYWUIMJUUJE-CWFSZBLJSA-N	1	0	367.449	1.589	20	30		FDEDRO
COc1ccc(C#N)cc1CN1C[C@@H](NC(=O)Cc2ccco2)[C@@H](O)C1	ZINC001083878929	888281011	/nfs/dbraw/zinc/28/10/11/888281011.db2.gz	OSBNVQCSXHHTEP-SJORKVTESA-N	1	0	355.394	1.064	20	30		FDEDRO
CC[NH+](CC)[C@@H](C)CNC(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C	ZINC000462090744	888476811	/nfs/dbraw/zinc/47/68/11/888476811.db2.gz	GRXJJXAJQOVPSP-AWEZNQCLSA-N	1	0	355.446	2.299	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@H]2CCc3ncnn32)CC1	ZINC001006023873	888761108	/nfs/dbraw/zinc/76/11/08/888761108.db2.gz	ZGJQRKAKOCFHIV-ZACQAIPSSA-N	1	0	359.474	1.279	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1	ZINC000938597495	888881058	/nfs/dbraw/zinc/88/10/58/888881058.db2.gz	PWVKHFHGBOJOOR-IKGGRYGDSA-N	1	0	361.486	1.123	20	30		FDEDRO
C#C[C@H](NC(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O)C1CCOCC1	ZINC000923326386	888919558	/nfs/dbraw/zinc/91/95/58/888919558.db2.gz	YPACHWBFTDUISK-JAYZULETSA-N	1	0	363.502	1.194	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)OCCCCCC)[C@H](OC)C1	ZINC001212271595	888939016	/nfs/dbraw/zinc/93/90/16/888939016.db2.gz	BQTXEAVQPSKKAK-KZNAEPCWSA-N	1	0	356.507	1.990	20	30		FDEDRO
CC1(C)CC[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)N(CC#Cc2ccccc2)C1	ZINC001089696749	889142280	/nfs/dbraw/zinc/14/22/80/889142280.db2.gz	HUWGNEHIAUTHFK-OTWHNJEPSA-N	1	0	367.493	1.766	20	30		FDEDRO
CNC(=O)C1(C(=O)N2C[C@@H](C[NH2+]Cc3ccccc3C#N)[C@H](C)C2)CCC1	ZINC001106909854	889404891	/nfs/dbraw/zinc/40/48/91/889404891.db2.gz	PCIUIMPIFMUIOZ-CRAIPNDOSA-N	1	0	368.481	1.659	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CCN(Cc2cn(C)nn2)CC1	ZINC001006107847	889447088	/nfs/dbraw/zinc/44/70/88/889447088.db2.gz	GEIPIMHLBXAOHF-ROUUACIJSA-N	1	0	361.490	1.609	20	30		FDEDRO
C#Cc1ccc(C(=O)NC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cc1	ZINC000946909047	889498234	/nfs/dbraw/zinc/49/82/34/889498234.db2.gz	CXIXVEFMOULUFK-DNVCBOLYSA-N	1	0	353.466	1.729	20	30		FDEDRO
COC(=O)[C@]12C[N@@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C[C@H]1COCC2	ZINC000373797184	889592752	/nfs/dbraw/zinc/59/27/52/889592752.db2.gz	MWSVVKUMGKCDNI-YZVOILCLSA-N	1	0	363.458	1.229	20	30		FDEDRO
C=CCN(Cc1nc(N)nc(N(C)C)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000370234851	889648717	/nfs/dbraw/zinc/64/87/17/889648717.db2.gz	BEBIFODIPPBNFY-KRWDZBQOSA-N	1	0	367.501	1.782	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)c3c[nH]c(C#N)c3)CC2)CC[N@@H+]1C	ZINC000946914418	889653937	/nfs/dbraw/zinc/65/39/37/889653937.db2.gz	MCBJYECCAARWNO-DLBZAZTESA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCCCCCC1	ZINC001127609453	889743073	/nfs/dbraw/zinc/74/30/73/889743073.db2.gz	ZPEUDTHGNHTAPV-SJORKVTESA-N	1	0	351.491	1.466	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CCN(C(=O)[C@]34C[C@H]3CCC4)C2)CC1	ZINC000939024877	889835354	/nfs/dbraw/zinc/83/53/54/889835354.db2.gz	HTISKAIJUMJHCF-DBXWQHBBSA-N	1	0	357.498	1.581	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)c2cc(I)c[nH]2)C1	ZINC000923575488	889908272	/nfs/dbraw/zinc/90/82/72/889908272.db2.gz	IBMIUMNJBACOHW-NSHDSACASA-N	1	0	357.195	1.447	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NCc1ccccc1	ZINC001127613135	889940143	/nfs/dbraw/zinc/94/01/43/889940143.db2.gz	RCJGQAFHGOJORB-NXHRZFHOSA-N	1	0	359.470	1.378	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc1	ZINC000366014153	889971020	/nfs/dbraw/zinc/97/10/20/889971020.db2.gz	XVBLXXXSDTZPNZ-CVEARBPZSA-N	1	0	353.426	1.550	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)[C@H](OC)C1	ZINC001212309289	890030553	/nfs/dbraw/zinc/03/05/53/890030553.db2.gz	RENCZPLJNLWYFH-RCCFBDPRSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)NC(=O)C2CCCC2)[C@H](OC)C1	ZINC001212319062	890085243	/nfs/dbraw/zinc/08/52/43/890085243.db2.gz	XETWXLGMVGZMTR-USXIJHARSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N[C@@H]1CN(CCN2CCCC2=O)C[C@H]1OC	ZINC001212322632	890128343	/nfs/dbraw/zinc/12/83/43/890128343.db2.gz	DMZVDISESXTZMJ-ZIAGYGMSSA-N	1	0	357.882	1.203	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CCN(c3cnc(C#N)cn3)C2)CC[N@@H+]1C	ZINC001063147890	890246888	/nfs/dbraw/zinc/24/68/88/890246888.db2.gz	KJNVKYMSYHBZBZ-YESZJQIVSA-N	1	0	356.474	1.506	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(NC(=O)CC[N@@H+](C)CC)CCC1	ZINC001063205593	890296924	/nfs/dbraw/zinc/29/69/24/890296924.db2.gz	ZFIRKDKYAOKMTB-RDJZCZTQSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCC[C@H]2C(N)=O)c(OC)c1	ZINC000249393324	890344775	/nfs/dbraw/zinc/34/47/75/890344775.db2.gz	SCIYEMWEBRBLFK-BRWVUGGUSA-N	1	0	362.470	1.797	20	30		FDEDRO
C=CCCOCC(=O)NC1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCC1	ZINC001063229188	890359875	/nfs/dbraw/zinc/35/98/75/890359875.db2.gz	ZGWCCNWQRKJQHA-JKSUJKDBSA-N	1	0	351.491	1.465	20	30		FDEDRO
Cc1cc(C#N)nc(N2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001063240836	890376085	/nfs/dbraw/zinc/37/60/85/890376085.db2.gz	GVVRGOAUBUOENV-BFYDXBDKSA-N	1	0	356.474	1.472	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CCNc3ccc(C#N)nn3)C2)CC[N@@H+]1C	ZINC001063301734	890427234	/nfs/dbraw/zinc/42/72/34/890427234.db2.gz	BIZUMSCXWANHHW-HLLBOEOZSA-N	1	0	356.474	1.729	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CCC1	ZINC001063347552	890472435	/nfs/dbraw/zinc/47/24/35/890472435.db2.gz	IMRQVQHJRIMIQB-IKGGRYGDSA-N	1	0	363.502	1.607	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCc2ccc(CNc3cncc(C#N)n3)cc2)CC[N@@H+]1C	ZINC001063424571	890534505	/nfs/dbraw/zinc/53/45/05/890534505.db2.gz	IFUKFDSWYSQIAE-RDTXWAMCSA-N	1	0	364.453	1.917	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCc2cc(OC)no2)[C@H](OC)C1	ZINC001212342636	890680220	/nfs/dbraw/zinc/68/02/20/890680220.db2.gz	KFROXTGEDQPQFN-FVQBIDKESA-N	1	0	351.447	1.786	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC000939565054	890895678	/nfs/dbraw/zinc/89/56/78/890895678.db2.gz	MNZKPMDXIGJGBA-ZTFGCOKTSA-N	1	0	354.454	1.076	20	30		FDEDRO
C=CCOc1ccc(CC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1	ZINC000448947687	890947004	/nfs/dbraw/zinc/94/70/04/890947004.db2.gz	ZIHOBGFHZUOIEW-UHFFFAOYSA-N	1	0	373.497	1.853	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCO[C@H]1C(C)C	ZINC001127632798	890964778	/nfs/dbraw/zinc/96/47/78/890964778.db2.gz	GFKRDYIZVIANOC-SQNIBIBYSA-N	1	0	367.534	1.957	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccccc2OC)C1	ZINC000940065890	891742455	/nfs/dbraw/zinc/74/24/55/891742455.db2.gz	KGGMOJJGUKGUMK-NXHRZFHOSA-N	1	0	369.465	1.370	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000921871697	892300442	/nfs/dbraw/zinc/30/04/42/892300442.db2.gz	YHKBYAMWQVQEHH-INIZCTEOSA-N	1	0	355.442	1.447	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C	ZINC000940383492	892370031	/nfs/dbraw/zinc/37/00/31/892370031.db2.gz	OYRMQXWSDIJCJQ-DDBAPUKQSA-N	1	0	363.502	1.273	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[C@H]3CC(C)C)C2)CC1	ZINC000940391982	892382051	/nfs/dbraw/zinc/38/20/51/892382051.db2.gz	WZJSGMBKTQTWOD-VBSBHUPXSA-N	1	0	373.541	1.977	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCOC)C1	ZINC001112541476	892650508	/nfs/dbraw/zinc/65/05/08/892650508.db2.gz	YZZBOMKMJVTTEJ-BJLQDIEVSA-N	1	0	365.518	1.712	20	30		FDEDRO
COC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C[C@H]1c1ccc(O)cc1	ZINC000451090828	893034376	/nfs/dbraw/zinc/03/43/76/893034376.db2.gz	PVIROUXWCOVLAA-RRQGHBQHSA-N	1	0	359.426	1.341	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc(C)c2C)C[C@H]1C	ZINC001106940096	893120679	/nfs/dbraw/zinc/12/06/79/893120679.db2.gz	AGURBDNEOWKHGX-KBAYOESNSA-N	1	0	355.482	1.739	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3o2)C[C@H]1C	ZINC001106940335	893124058	/nfs/dbraw/zinc/12/40/58/893124058.db2.gz	LKIAWFWWCSVXHE-HZPDHXFCSA-N	1	0	368.433	1.741	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)CC1(C)C	ZINC000940753915	893128069	/nfs/dbraw/zinc/12/80/69/893128069.db2.gz	QJQVSASHAUNJKX-PMPSAXMXSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2nc(C)c(C)[nH]c2=O)[C@H](OC)C1	ZINC001212448571	893149731	/nfs/dbraw/zinc/14/97/31/893149731.db2.gz	SJXPAUMUIDRHJX-HZPDHXFCSA-N	1	0	362.474	1.562	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](OC(F)F)C2)CC1	ZINC000672356938	893180320	/nfs/dbraw/zinc/18/03/20/893180320.db2.gz	OGQGBGAFQMWDLP-AWEZNQCLSA-N	1	0	359.417	1.373	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CN(C)Cc3ccccc32)CC1	ZINC000672356723	893186006	/nfs/dbraw/zinc/18/60/06/893186006.db2.gz	PUBKIIILEHZLBY-IBGZPJMESA-N	1	0	370.497	1.446	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)C[C@@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1	ZINC001002557965	893214307	/nfs/dbraw/zinc/21/43/07/893214307.db2.gz	SHNNHUUHMRGXRQ-AYOQOUSVSA-N	1	0	368.481	1.466	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2COc3ccccc3O2)C[C@H]1C	ZINC001106944155	893516913	/nfs/dbraw/zinc/51/69/13/893516913.db2.gz	UFZLZEHVNWDMTH-GPMSIDNRSA-N	1	0	358.438	1.160	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccsc2)[C@H](OC)C1	ZINC001212458759	893709817	/nfs/dbraw/zinc/70/98/17/893709817.db2.gz	OZIWBQPPVFUEFT-YLFCFFPRSA-N	1	0	350.484	1.870	20	30		FDEDRO
CC[C@H](C(=O)N[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1OC)[NH+](C)C	ZINC001212460716	893831334	/nfs/dbraw/zinc/83/13/34/893831334.db2.gz	KKZFBRFWTQIBGU-GUDVDZBRSA-N	1	0	361.461	1.333	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C(C)(C)C1	ZINC000941091517	893845547	/nfs/dbraw/zinc/84/55/47/893845547.db2.gz	VRBOKVRUESQGGQ-FGTMMUONSA-N	1	0	358.486	1.528	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCN(C(=O)[C@H](CC)[NH+](C)C)CC1	ZINC000941200675	894099055	/nfs/dbraw/zinc/09/90/55/894099055.db2.gz	VWBKTVDYIXFDFT-ULQDDVLXSA-N	1	0	351.491	1.369	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)nc1	ZINC000941222301	894372445	/nfs/dbraw/zinc/37/24/45/894372445.db2.gz	NIXLTEZFLDPAKE-PKOBYXMFSA-N	1	0	368.481	1.468	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)c(NC(C)=O)c1	ZINC000922022978	894399905	/nfs/dbraw/zinc/39/99/05/894399905.db2.gz	FKMJFHZRLFNDOE-UHFFFAOYSA-N	1	0	367.446	1.502	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(C(=O)OCC)c1	ZINC000922023391	894422520	/nfs/dbraw/zinc/42/25/20/894422520.db2.gz	IYSSITBZNAXXTL-UHFFFAOYSA-N	1	0	364.467	1.581	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cnc2onc(CC)c2c1	ZINC000922023637	894430047	/nfs/dbraw/zinc/43/00/47/894430047.db2.gz	KHKINABLMPHINC-UHFFFAOYSA-N	1	0	362.455	1.503	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cnc(-c2ccccc2)nc1	ZINC000922022311	894485612	/nfs/dbraw/zinc/48/56/12/894485612.db2.gz	KNLQVTVSPGDJLM-UHFFFAOYSA-N	1	0	370.478	1.862	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)C[C@@H]1COc2ccccc2O1	ZINC000922027022	894546702	/nfs/dbraw/zinc/54/67/02/894546702.db2.gz	XWMFAEBHAQFNMJ-INIZCTEOSA-N	1	0	364.467	1.186	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(OC)c(OC)cc1C	ZINC000922027258	894550071	/nfs/dbraw/zinc/55/00/71/894550071.db2.gz	VIRQJCHHGXYKMI-UHFFFAOYSA-N	1	0	366.483	1.730	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1	ZINC000941361463	894816994	/nfs/dbraw/zinc/81/69/94/894816994.db2.gz	CPZNDIFHSLIMJE-IKGGRYGDSA-N	1	0	351.491	1.225	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@H]4COC(=O)C4)[C@@H]3C2)cc1	ZINC001084279555	913913741	/nfs/dbraw/zinc/91/37/41/913913741.db2.gz	JCPHLGVJOAITEY-KZNAEPCWSA-N	1	0	353.422	1.544	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C2C[NH+](CC3CCCCC3)C2)CC1	ZINC000941574747	895294848	/nfs/dbraw/zinc/29/48/48/895294848.db2.gz	SAMOWGACIPTSSG-UXHICEINSA-N	1	0	361.530	1.986	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1	ZINC000941695023	895548883	/nfs/dbraw/zinc/54/88/83/895548883.db2.gz	UDNBRWMWDPCHJY-IKGGRYGDSA-N	1	0	361.486	1.171	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1	ZINC000942153190	896507262	/nfs/dbraw/zinc/50/72/62/896507262.db2.gz	SSESSODRAXLEON-UHOSZYNNSA-N	1	0	368.481	1.552	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)CO[C@H]4CCOC4)[C@@H]3C2)c1	ZINC001084339521	914087032	/nfs/dbraw/zinc/08/70/32/914087032.db2.gz	DBFZBQPNBRCKST-CEXWTWQISA-N	1	0	355.438	1.396	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CCCN(C)C(=O)C[N@@H+](C)C(C)C	ZINC001067524825	896783969	/nfs/dbraw/zinc/78/39/69/896783969.db2.gz	QNOULVZFSUJVFI-WMZOPIPTSA-N	1	0	353.507	1.615	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(COC)cc2)C[C@H]1C	ZINC001106967922	896799714	/nfs/dbraw/zinc/79/97/14/896799714.db2.gz	AWAWSLOHKANJQD-CRAIPNDOSA-N	1	0	359.470	1.433	20	30		FDEDRO
CC#CC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@H]3OCC[C@H]3CC)C2)n1	ZINC001128107034	896961987	/nfs/dbraw/zinc/96/19/87/896961987.db2.gz	LGRKJZJFSAGSPF-KPFFTGBYSA-N	1	0	370.497	1.705	20	30		FDEDRO
C#CC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@@H]3CCCO[C@H]3C=C)C2)n1	ZINC001128107668	896970262	/nfs/dbraw/zinc/97/02/62/896970262.db2.gz	XOPHMFBDQFOJRL-OTWHNJEPSA-N	1	0	368.481	1.481	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)cc1	ZINC001000206860	897151177	/nfs/dbraw/zinc/15/11/77/897151177.db2.gz	TTYAACKACHVTEI-SQNIBIBYSA-N	1	0	354.454	1.540	20	30		FDEDRO
CCn1nnc2cc(C(=O)N3C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C3)ccc21	ZINC001106970915	897212620	/nfs/dbraw/zinc/21/26/20/897212620.db2.gz	APXVSLUEMOPFPN-NVXWUHKLSA-N	1	0	369.469	1.399	20	30		FDEDRO
CC#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC2(CCOCC2)C1	ZINC001089957765	897277766	/nfs/dbraw/zinc/27/77/66/897277766.db2.gz	QQICSIHOYQZJPJ-CEXWTWQISA-N	1	0	370.497	1.534	20	30		FDEDRO
C#CC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@@H]3CCO[C@H]3C=C)C2)n1	ZINC001128117683	897298278	/nfs/dbraw/zinc/29/82/78/897298278.db2.gz	HPPNZJIUVYDPKR-KURKYZTESA-N	1	0	354.454	1.090	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC2(CCOCC2)C1	ZINC001089960048	897333669	/nfs/dbraw/zinc/33/36/69/897333669.db2.gz	WZOVCWGYBMOQGO-YESZJQIVSA-N	1	0	363.502	1.274	20	30		FDEDRO
C#CC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@H]3CCO[C@H]3C(=C)C)C2)n1	ZINC001128126000	897382604	/nfs/dbraw/zinc/38/26/04/897382604.db2.gz	JCIZZASCCSEUQB-BJLQDIEVSA-N	1	0	368.481	1.481	20	30		FDEDRO
C#CC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3ccco3)C2)n1	ZINC001128133140	897438559	/nfs/dbraw/zinc/43/85/59/897438559.db2.gz	RMBWYPIEDPGVFJ-RCCFBDPRSA-N	1	0	364.449	1.896	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(Cc4ccccc4C#N)C[C@H]32)CC[N@@H+]1C	ZINC001084354497	914165680	/nfs/dbraw/zinc/16/56/80/914165680.db2.gz	HNKBOPRLZJALEX-HUYLIWGRSA-N	1	0	352.482	1.931	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1N(C(=O)c1ccc(C#N)[nH]1)CC2	ZINC000995261661	897568177	/nfs/dbraw/zinc/56/81/77/897568177.db2.gz	OQGWUDGTULTOFE-SQGPQFPESA-N	1	0	369.469	1.482	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(Cc2cccnc2)C[C@H]2CCN(CC#N)C2)CC[N@@H+]1C	ZINC000995268938	897665923	/nfs/dbraw/zinc/66/59/23/897665923.db2.gz	VZZIPDKIRKQEFV-NZSAHSFTSA-N	1	0	355.486	1.596	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CNC(=O)c3cc(C#N)c[nH]3)CCC[C@@H]12	ZINC000995270308	897678895	/nfs/dbraw/zinc/67/88/95/897678895.db2.gz	MTEAYCFDRVMGIK-MBOZVWFJSA-N	1	0	369.469	1.482	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](CCc2ccc(C)cc2)C[C@H]1O	ZINC001078082446	897909013	/nfs/dbraw/zinc/90/90/13/897909013.db2.gz	MSGGRCFYDXMOMF-FGZHOGPDSA-N	1	0	362.473	1.923	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C[C@H](C)N1CC#N	ZINC000921775835	897926679	/nfs/dbraw/zinc/92/66/79/897926679.db2.gz	KFWFKKZOALBTNP-CALCHBBNSA-N	1	0	370.501	1.926	20	30		FDEDRO
N#Cc1cncc(N2CC=C(CCNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC2)n1	ZINC001089871027	897995356	/nfs/dbraw/zinc/99/53/56/897995356.db2.gz	LJOBIGBPVPBQJB-HZPDHXFCSA-N	1	0	363.425	1.518	20	30		FDEDRO
N#Cc1cccc(CN2C[C@@H](O)[C@H](NC(=O)c3ccc(C4CC4)cn3)C2)c1	ZINC001078103443	898009183	/nfs/dbraw/zinc/00/91/83/898009183.db2.gz	ICOZEJDFBNVOKJ-WOJBJXKFSA-N	1	0	362.433	1.806	20	30		FDEDRO
C[N@@H+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2N(C(=O)c2c[nH]c(C#N)c2)CC3)C1	ZINC000995302900	898194593	/nfs/dbraw/zinc/19/45/93/898194593.db2.gz	PVTYJBAJIQKORT-WIBUTAKZSA-N	1	0	369.469	1.339	20	30		FDEDRO
CC[C@H](C)C(=O)NCC(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1	ZINC001106994756	898274194	/nfs/dbraw/zinc/27/41/94/898274194.db2.gz	QNMTUAJDCSJPFZ-FRQCXROJSA-N	1	0	370.497	1.905	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000943285281	898618573	/nfs/dbraw/zinc/61/85/73/898618573.db2.gz	LWFFEKWQNNVZIC-SOLBZPMBSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2scnc2C)C1	ZINC001078471828	898798614	/nfs/dbraw/zinc/79/86/14/898798614.db2.gz	GDKNGLFRMYIVGR-OAGGEKHMSA-N	1	0	365.499	1.750	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2ncccc2C)C1	ZINC001078472001	898800159	/nfs/dbraw/zinc/80/01/59/898800159.db2.gz	LIAADLIEKQIFPG-SCTDSRPQSA-N	1	0	359.470	1.688	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2conc2C)C1	ZINC001078484574	898834890	/nfs/dbraw/zinc/83/48/90/898834890.db2.gz	MYDZYJGXAOUBFG-SQNIBIBYSA-N	1	0	363.458	1.671	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H](OC)C1	ZINC000943417479	898850344	/nfs/dbraw/zinc/85/03/44/898850344.db2.gz	BZKJGEHSHWYCEV-BRWVUGGUSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)COc2ccc(C(N)=O)cc2)C[C@H]1C	ZINC001107001456	899063368	/nfs/dbraw/zinc/06/33/68/899063368.db2.gz	TUKCXFQTNSGTTP-NVXWUHKLSA-N	1	0	359.470	1.815	20	30		FDEDRO
CN1C[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)CC1=O	ZINC001084385355	914321770	/nfs/dbraw/zinc/32/17/70/914321770.db2.gz	DLRRJWWMWGKRSC-KZNAEPCWSA-N	1	0	352.438	1.069	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C3)cn1	ZINC001001700596	899206978	/nfs/dbraw/zinc/20/69/78/899206978.db2.gz	ULJVIKINUPDPOR-ZJPYXAASSA-N	1	0	352.438	1.019	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1	ZINC000943706091	899258509	/nfs/dbraw/zinc/25/85/09/899258509.db2.gz	WHSBRBROWLPCQP-ATIWLJMLSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](OC)C1	ZINC000943796991	899417578	/nfs/dbraw/zinc/41/75/78/899417578.db2.gz	SWDOZTXOAYCFAX-MBOZVWFJSA-N	1	0	370.453	1.892	20	30		FDEDRO
CCN(CC(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1)c1ccccc1	ZINC001107025110	899623578	/nfs/dbraw/zinc/62/35/78/899623578.db2.gz	KDLXZFYVXMZPRG-RTBURBONSA-N	1	0	357.498	1.847	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001084417947	914377000	/nfs/dbraw/zinc/37/70/00/914377000.db2.gz	NQRZDBBVYARLBU-QHAWAJNXSA-N	1	0	362.477	1.689	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C	ZINC000944077717	899820004	/nfs/dbraw/zinc/82/00/04/899820004.db2.gz	BCKOQOUJOLSITP-OWSLCNJRSA-N	1	0	365.518	1.661	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C	ZINC000944209761	899987571	/nfs/dbraw/zinc/98/75/71/899987571.db2.gz	CHALKAJWNNZOLD-OWSLCNJRSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)NC(=O)NCC=C)C[C@H]1C	ZINC001107036192	899994826	/nfs/dbraw/zinc/99/48/26/899994826.db2.gz	HUZXIYKTJHZQGV-HZPDHXFCSA-N	1	0	350.507	1.901	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]Cc2nc(CCC)no2)[C@H](C)C1	ZINC001107058881	900284575	/nfs/dbraw/zinc/28/45/75/900284575.db2.gz	FWDGKZAAYIMDHP-HUUCEWRRSA-N	1	0	350.463	1.799	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]Cc2ncnn2C(C)(C)C)[C@H](C)C1	ZINC001107059144	900311756	/nfs/dbraw/zinc/31/17/56/900311756.db2.gz	UXHVSDARXAYSPL-HZPDHXFCSA-N	1	0	363.506	1.810	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CCF)[C@H](C)C1	ZINC001107059139	900311779	/nfs/dbraw/zinc/31/17/79/900311779.db2.gz	URKWFFAEVHGVAH-HUUCEWRRSA-N	1	0	353.442	1.024	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2C(C)(C)C)[C@H](C)C1	ZINC001107062598	900374231	/nfs/dbraw/zinc/37/42/31/900374231.db2.gz	OSUQRMYPYXEZRO-BZUAXINKSA-N	1	0	363.506	1.808	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(C)(C)CC)[C@H](C)C1	ZINC001107062848	900390143	/nfs/dbraw/zinc/39/01/43/900390143.db2.gz	VQKPRDRMMVNPCI-BRWVUGGUSA-N	1	0	367.534	1.957	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCCCOCC)C[C@H]1C	ZINC001107061386	900413467	/nfs/dbraw/zinc/41/34/67/900413467.db2.gz	XXRAZLTXAVYDDN-FGTMMUONSA-N	1	0	367.534	1.958	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CC(=C)C)[C@H](C)C1	ZINC001107063570	900449368	/nfs/dbraw/zinc/44/93/68/900449368.db2.gz	SWJCQLLZYJLBPG-KZNAEPCWSA-N	1	0	365.518	1.686	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)CC(F)(F)F)[C@H](C)C1	ZINC001107063751	900450803	/nfs/dbraw/zinc/45/08/03/900450803.db2.gz	ZHAUUAIFNXSMST-MGPQQGTHSA-N	1	0	352.397	1.577	20	30		FDEDRO
C[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@@]1(CO)CCOC1	ZINC000763886300	900480008	/nfs/dbraw/zinc/48/00/08/900480008.db2.gz	SDKBGTCNGBXHEF-AUUYWEPGSA-N	1	0	352.394	1.307	20	30		FDEDRO
CC(C)(C(N)=O)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21	ZINC001084426302	914448675	/nfs/dbraw/zinc/44/86/75/914448675.db2.gz	ZJEXPFAAJNZAFB-NVXWUHKLSA-N	1	0	370.453	1.133	20	30		FDEDRO
CC(C)[NH+]=C(NCC(=O)N(C)C)N1CCN(c2cc(F)ccc2F)CC1	ZINC000185526312	900488410	/nfs/dbraw/zinc/48/84/10/900488410.db2.gz	JVKPHVYBJRYWOI-UHFFFAOYSA-N	1	0	367.444	1.529	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCOC(C)C)C[C@H]1C	ZINC001107080913	900605664	/nfs/dbraw/zinc/60/56/64/900605664.db2.gz	GGBFWSVIDNRIMA-BRWVUGGUSA-N	1	0	353.507	1.566	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(C(=O)C#CC2CC2)CC3)CC[N@@H+]1C	ZINC000944932628	901059883	/nfs/dbraw/zinc/05/98/83/901059883.db2.gz	FCYFYDNALUAXOF-ZWKOTPCHSA-N	1	0	357.498	1.581	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CCn2ccnc2C(C)C)[C@@H](n2ccnn2)C1	ZINC001129307642	901067911	/nfs/dbraw/zinc/06/79/11/901067911.db2.gz	JKEFSTGJUGMPRV-SJORKVTESA-N	1	0	369.473	1.053	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(-c4cccnc4)nn3)[C@@H]2C1	ZINC001084391750	914503183	/nfs/dbraw/zinc/50/31/83/914503183.db2.gz	MBGKSWLRQROZCJ-CRAIPNDOSA-N	1	0	352.442	1.775	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1(CNC(=O)CCCC[NH+](C)C)CCC1	ZINC001063832981	901156261	/nfs/dbraw/zinc/15/62/61/901156261.db2.gz	YQWMTOKLOCEENC-SJORKVTESA-N	1	0	365.518	1.855	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCC1	ZINC001063890398	901179475	/nfs/dbraw/zinc/17/94/75/901179475.db2.gz	BOARNLXLOZLDOS-CVEARBPZSA-N	1	0	363.502	1.607	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@]3(CCN(c4ccc(C#N)cn4)C3)C2)CC[N@@H+]1C	ZINC001064649574	901517381	/nfs/dbraw/zinc/51/73/81/901517381.db2.gz	DJLPXODDGATSDS-MDYRTPRTSA-N	1	0	353.470	1.722	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)[C@@H](O)C1	ZINC001083926714	901784810	/nfs/dbraw/zinc/78/48/10/901784810.db2.gz	JWUWZKYJWKQPHA-OJDYBEQGSA-N	1	0	354.372	1.945	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cc(C)on2)C1	ZINC001079124508	901922954	/nfs/dbraw/zinc/92/29/54/901922954.db2.gz	XWVVACNCIIPDGB-RTBURBONSA-N	1	0	353.422	1.694	20	30		FDEDRO
COCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccc(C#N)[nH]2)C1	ZINC001079132440	901945474	/nfs/dbraw/zinc/94/54/74/901945474.db2.gz	MUUMNJWUHUXEJB-RTBURBONSA-N	1	0	368.437	1.220	20	30		FDEDRO
C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[C@H]1c1ccc(F)cc1	ZINC001079150417	901983067	/nfs/dbraw/zinc/98/30/67/901983067.db2.gz	QPLQDBRVJRWMQY-FASAQXTFSA-N	1	0	370.428	1.994	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC)C2)CC[C@H]1c1ccc(F)cc1	ZINC001079152448	901988471	/nfs/dbraw/zinc/98/84/71/901988471.db2.gz	MWULQOIWTFDFNQ-NZSAHSFTSA-N	1	0	371.456	1.601	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnnc(C)c2)C1	ZINC001079133553	901992483	/nfs/dbraw/zinc/99/24/83/901992483.db2.gz	NJDYVIYCVDILRO-WOJBJXKFSA-N	1	0	364.449	1.496	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cncnc2)C1	ZINC001079133563	901992747	/nfs/dbraw/zinc/99/27/47/901992747.db2.gz	NUYMUQJHGIYJHQ-RTBURBONSA-N	1	0	352.438	1.740	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnn(C)c2N)C1	ZINC001079133614	901994392	/nfs/dbraw/zinc/99/43/92/901994392.db2.gz	QXBDBEUQCGJXSN-QZTJIDSGSA-N	1	0	369.469	1.266	20	30		FDEDRO
C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cn[nH]c(=O)c2)C1	ZINC001079137145	902011352	/nfs/dbraw/zinc/01/13/52/902011352.db2.gz	XQEHQQNCUWIOKY-IAGOWNOFSA-N	1	0	354.410	1.056	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cn[nH]n2)C1	ZINC001079137967	902015583	/nfs/dbraw/zinc/01/55/83/902015583.db2.gz	FMQNNQKGWMJREK-QZTJIDSGSA-N	1	0	355.442	1.458	20	30		FDEDRO
C=CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cc(OCC)no2)C1	ZINC001079138211	902018350	/nfs/dbraw/zinc/01/83/50/902018350.db2.gz	TXNHDQLSLHJNEU-IAGOWNOFSA-N	1	0	371.437	1.947	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]Cc2cnn(C)c2)C1	ZINC001079174987	902058050	/nfs/dbraw/zinc/05/80/50/902058050.db2.gz	PMFSIOIUELBDAH-JEBQAFNWSA-N	1	0	355.417	1.803	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCC[NH+]1CCN(C(=O)CC)CC1	ZINC001079165770	902096138	/nfs/dbraw/zinc/09/61/38/902096138.db2.gz	GZPGIGOMUGWMEO-SJORKVTESA-N	1	0	351.491	1.418	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2cnn(C)c2)C[C@H]1c1cccc(F)c1	ZINC001079204882	902107826	/nfs/dbraw/zinc/10/78/26/902107826.db2.gz	QSFACSXLDPRHEW-UIAACRFSSA-N	1	0	368.456	1.955	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1c1cccc(F)c1	ZINC001079210023	902119109	/nfs/dbraw/zinc/11/91/09/902119109.db2.gz	UIHYOGDZSFDGPU-DOTOQJQBSA-N	1	0	356.401	1.303	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2ccnn2C)C[C@H]1c1cccc(F)c1	ZINC001079183846	902127196	/nfs/dbraw/zinc/12/71/96/902127196.db2.gz	XRCLVYJECYBVLO-FHLIZLRMSA-N	1	0	354.429	1.880	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2ccnn2C)C[C@H]1c1cccc(F)c1	ZINC001079183847	902127432	/nfs/dbraw/zinc/12/74/32/902127432.db2.gz	XRCLVYJECYBVLO-JCGIZDLHSA-N	1	0	354.429	1.880	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCC3)C[C@H]1c1cccc(F)c1	ZINC001079186615	902131852	/nfs/dbraw/zinc/13/18/52/902131852.db2.gz	VAGBMLCHANLTHA-PKOBYXMFSA-N	1	0	352.413	1.799	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2COC)C[C@H]1c1cccc(F)c1	ZINC001079188823	902138883	/nfs/dbraw/zinc/13/88/83/902138883.db2.gz	SGOWPPRKDRHEEF-FUHWJXTLSA-N	1	0	370.428	1.537	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ncc(OC)cn2)C[C@H]1c1cccc(F)c1	ZINC001079190360	902144858	/nfs/dbraw/zinc/14/48/58/902144858.db2.gz	OMPBEDPQXRYTSB-DLBZAZTESA-N	1	0	354.385	1.455	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1c1cccc(F)c1	ZINC001079196315	902159080	/nfs/dbraw/zinc/15/90/80/902159080.db2.gz	JJDWOAXZNCWMMB-LSDHHAIUSA-N	1	0	365.836	1.728	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+][C@H](C)C(N)=O)C2)C1	ZINC001079197365	902162229	/nfs/dbraw/zinc/16/22/29/902162229.db2.gz	FCHLSCBCRFZALC-XOKHGSTOSA-N	1	0	359.445	1.940	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)C3CC(F)(F)C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079234423	902171467	/nfs/dbraw/zinc/17/14/67/902171467.db2.gz	KYBACTWFJVCEER-JKSUJKDBSA-N	1	0	352.425	1.994	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)Cc3nnc(C)[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079241134	902191959	/nfs/dbraw/zinc/19/19/59/902191959.db2.gz	LMWRKNAEQDFLOS-JKSUJKDBSA-N	1	0	359.474	1.171	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)Cn3cc(C)cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079227132	902239927	/nfs/dbraw/zinc/23/99/27/902239927.db2.gz	DFUBKZLHHSFNGW-ZWKOTPCHSA-N	1	0	358.486	1.707	20	30		FDEDRO
Cc1ccncc1C[NH+]1CCC2(CN(C(=O)[C@@H](C)C#N)[C@@H]3COC[C@@H]32)CC1	ZINC001079228388	902242652	/nfs/dbraw/zinc/24/26/52/902242652.db2.gz	JWBKVYAEOCQWRD-YTQUADARSA-N	1	0	368.481	1.989	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3ccc(F)nc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079228386	902242744	/nfs/dbraw/zinc/24/27/44/902242744.db2.gz	JVABGIOWDZMNDY-DLBZAZTESA-N	1	0	357.429	1.797	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)CCc3c[nH]cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079244806	902249226	/nfs/dbraw/zinc/24/92/26/902249226.db2.gz	GVLQHIOEEWOSJS-ZWKOTPCHSA-N	1	0	358.486	1.858	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)Cc3cc(C4CC4)no3)[C@@H]3COC[C@@H]32)CC1	ZINC001079244694	902249612	/nfs/dbraw/zinc/24/96/12/902249612.db2.gz	AEQKOTPQYBDZFS-PKOBYXMFSA-N	1	0	369.465	1.667	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3ccc(=O)n(C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079250048	902267229	/nfs/dbraw/zinc/26/72/29/902267229.db2.gz	IURQRPCHCAOAJV-ZWKOTPCHSA-N	1	0	371.481	1.514	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)CCc3cccnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079250199	902268268	/nfs/dbraw/zinc/26/82/68/902268268.db2.gz	RBJDRBPOPPIKFU-RBUKOAKNSA-N	1	0	353.466	1.587	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)[C@]3(F)CCOC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079257073	902287593	/nfs/dbraw/zinc/28/75/93/902287593.db2.gz	SANKVIXIZVUTQL-FCEWJHQRSA-N	1	0	352.450	1.631	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)CCc3ccc(=O)[nH]c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079257210	902289429	/nfs/dbraw/zinc/28/94/29/902289429.db2.gz	ZZELLDUWBCSZLS-ZWKOTPCHSA-N	1	0	371.481	1.845	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cnn(CCC)c3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079268391	902321212	/nfs/dbraw/zinc/32/12/12/902321212.db2.gz	YFMDNMBNGRPOAB-RBUKOAKNSA-N	1	0	370.497	1.788	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)C[C@@H](C)n3cccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269406	902325479	/nfs/dbraw/zinc/32/54/79/902325479.db2.gz	WRFQCZRLARURGK-FGTMMUONSA-N	1	0	358.486	1.960	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCCOC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269433	902325727	/nfs/dbraw/zinc/32/57/27/902325727.db2.gz	XRLDJGJHLSKPGW-GBESFXJTSA-N	1	0	360.498	1.766	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)Cc3cccc(F)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079272182	902335348	/nfs/dbraw/zinc/33/53/48/902335348.db2.gz	GGVWUKZCTXCVLQ-RBUKOAKNSA-N	1	0	356.441	1.941	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)Cc3ccccc3OC)[C@@H]3COC[C@@H]32)CC1	ZINC001079272697	902337631	/nfs/dbraw/zinc/33/76/31/902337631.db2.gz	SWMCEOUJXJNJBY-RBUKOAKNSA-N	1	0	368.477	1.810	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3ccnc(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079273966	902337749	/nfs/dbraw/zinc/33/77/49/902337749.db2.gz	YSKFYGXIWQHNOX-FUHWJXTLSA-N	1	0	354.454	1.361	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H](C)c3ccnn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079242992	902338860	/nfs/dbraw/zinc/33/88/60/902338860.db2.gz	FBNBDNMTZOIJKW-XYJFISCASA-N	1	0	356.470	1.096	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCN(C)C(=O)C2)C[C@H]1c1ccccc1F	ZINC001079299166	902341943	/nfs/dbraw/zinc/34/19/43/902341943.db2.gz	ALBNKWBHXNGDOZ-QILLFSRXSA-N	1	0	359.445	1.764	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@H]1c1ccccc1F	ZINC001079298884	902406333	/nfs/dbraw/zinc/40/63/33/902406333.db2.gz	LRVWDHGWRFBMEE-MAUKXSAKSA-N	1	0	370.428	1.693	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@H]1c1ccccc1F	ZINC001079316047	902411920	/nfs/dbraw/zinc/41/19/20/902411920.db2.gz	UDEJXAKLHJIOHA-QILLFSRXSA-N	1	0	359.445	1.955	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCN2CCCC2=O)C[C@H]1c1ccccc1F	ZINC001079320852	902423397	/nfs/dbraw/zinc/42/33/97/902423397.db2.gz	NTOZCFFPNFCNKF-FUHWJXTLSA-N	1	0	359.445	1.908	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccnc2C(N)=O)C[C@H]1c1ccccc1F	ZINC001079322157	902424575	/nfs/dbraw/zinc/42/45/75/902424575.db2.gz	LMZLFXFMMCFCPE-DOTOQJQBSA-N	1	0	368.412	1.703	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)N2CCCCC2=O)C[C@H]1c1ccccc1F	ZINC001079321826	902424625	/nfs/dbraw/zinc/42/46/25/902424625.db2.gz	FBVUUSVEQNDZGS-HHXXYDBFSA-N	1	0	371.456	1.744	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3nncn3C2)C[C@H]1c1ccccc1F	ZINC001079322347	902425882	/nfs/dbraw/zinc/42/58/82/902425882.db2.gz	QANKJQSPIZWDCJ-QILLFSRXSA-N	1	0	369.444	1.750	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cncnc2)C[C@H]1c1ccccc1F	ZINC001079307444	902438694	/nfs/dbraw/zinc/43/86/94/902438694.db2.gz	KPRMUKSWADWCKO-DKSSEZFCSA-N	1	0	352.413	1.937	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC001079537916	902735470	/nfs/dbraw/zinc/73/54/70/902735470.db2.gz	LBNSEPXNXYTYMD-PIGZYNQJSA-N	1	0	350.382	1.673	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC001079581353	902834486	/nfs/dbraw/zinc/83/44/86/902834486.db2.gz	LZKZNYNYPAZJLA-PJSAGSTRSA-N	1	0	356.401	1.809	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C#N)c[nH]1)C2)[NH+](C)C	ZINC000996009339	902890001	/nfs/dbraw/zinc/89/00/01/902890001.db2.gz	XIUJLEFWJJCAJD-OHFALNGGSA-N	1	0	357.458	1.334	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C#N)[nH]1)C2)[NH+](C)C	ZINC000996098417	903079920	/nfs/dbraw/zinc/07/99/20/903079920.db2.gz	SYDJPTATKSDBFD-IWCQGFGOSA-N	1	0	357.458	1.334	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(C#N)[nH]2)C3)CC[N@@H+]1C	ZINC000996103976	903087697	/nfs/dbraw/zinc/08/76/97/903087697.db2.gz	NHWRVYGKMVCJAI-KSIDHJATSA-N	1	0	369.469	1.478	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(C#N)[nH]2)C3)CC1	ZINC000996109276	903112592	/nfs/dbraw/zinc/11/25/92/903112592.db2.gz	QAORDUCLQXLROS-NJAFHUGGSA-N	1	0	369.469	1.480	20	30		FDEDRO
C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001079710539	903120418	/nfs/dbraw/zinc/12/04/18/903120418.db2.gz	MPBSNBPLFAUKQP-HEFCMCLBSA-N	1	0	370.472	1.976	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(C#N)c1)C2	ZINC000996126124	903160215	/nfs/dbraw/zinc/16/02/15/903160215.db2.gz	KABALHHXBMVJQI-VSZNYVQBSA-N	1	0	369.469	1.622	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@H]3CC[N@H+](CCn4cncn4)C[C@H]32)cc1	ZINC001084460274	914731145	/nfs/dbraw/zinc/73/11/45/914731145.db2.gz	QVXSSMAEWBTQJO-IEBWSBKVSA-N	1	0	367.453	1.689	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@H]1C	ZINC001079878008	903599882	/nfs/dbraw/zinc/59/98/82/903599882.db2.gz	ARRHMLFUGAVCPP-QRQLOZEOSA-N	1	0	369.513	1.182	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(CC)C(=O)C(C)(C)[N@H+](C)CC)C1	ZINC001079996972	903841137	/nfs/dbraw/zinc/84/11/37/903841137.db2.gz	FXHFBAWERZWMGZ-IRXDYDNUSA-N	1	0	365.518	1.757	20	30		FDEDRO
C#CC[NH2+][C@H]1CN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1(C)C	ZINC000996399993	903847438	/nfs/dbraw/zinc/84/74/38/903847438.db2.gz	CAUAGUKVFZJSAE-XYJFISCASA-N	1	0	354.454	1.061	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1(C)C	ZINC000996403311	903860139	/nfs/dbraw/zinc/86/01/39/903860139.db2.gz	VKPIUYXLVANTOH-LZLYRXPVSA-N	1	0	356.470	1.614	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1ccn(C)c(=O)c1	ZINC001079978020	903877268	/nfs/dbraw/zinc/87/72/68/903877268.db2.gz	UGGBWNQIZVEYAL-RDTXWAMCSA-N	1	0	350.422	1.507	20	30		FDEDRO
C=CCC[C@@H](C)[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCO[C@H]3C=C)nn2)C1	ZINC001107212095	903956000	/nfs/dbraw/zinc/95/60/00/903956000.db2.gz	NUQZYUXQWKHTAD-OLMNPRSZSA-N	1	0	359.474	1.697	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)c3nccc(C)n3)C2)C1=O	ZINC001098815470	904079704	/nfs/dbraw/zinc/07/97/04/904079704.db2.gz	LLNMDVRNEKGKLV-FTRWYGJKSA-N	1	0	369.469	1.156	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCC)CCC[C@@H]12	ZINC001107261641	904192319	/nfs/dbraw/zinc/19/23/19/904192319.db2.gz	LYPDEEMCIOJKOR-RDTXWAMCSA-N	1	0	350.463	1.159	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C)oc3C)CCC[C@@H]12	ZINC001107273951	904293028	/nfs/dbraw/zinc/29/30/28/904293028.db2.gz	JWBAHQVMLUSFEY-YLJYHZDGSA-N	1	0	357.454	1.620	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cccc(C(N)=O)c2)CC1	ZINC000996599848	904311483	/nfs/dbraw/zinc/31/14/83/904311483.db2.gz	CNZHOUCZKRDLCM-MOPGFXCFSA-N	1	0	371.481	1.847	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](CC)OCC)CCC[C@@H]12	ZINC001107306770	904399278	/nfs/dbraw/zinc/39/92/78/904399278.db2.gz	CXXHWGJFNHLUCN-FRQCXROJSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@@]3(CNC(=O)COC(C)C)CCC[C@@H]23)C1=O	ZINC001107316459	904436097	/nfs/dbraw/zinc/43/60/97/904436097.db2.gz	KPUNWUMPZPRWIS-SQGPQFPESA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC[C@H]1CCCO1)CC2	ZINC001107327315	904485510	/nfs/dbraw/zinc/48/55/10/904485510.db2.gz	XYKQEHLIAYSBJR-MBOZVWFJSA-N	1	0	363.502	1.609	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCc1ccccc1)CC2	ZINC001107328938	904490845	/nfs/dbraw/zinc/49/08/45/904490845.db2.gz	CIIMPXFRUJOVGN-HGHGUNKESA-N	1	0	368.481	1.823	20	30		FDEDRO
COc1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)CC(N)=O)CCC[C@@H]23)cc1C#N	ZINC001107343530	904502183	/nfs/dbraw/zinc/50/21/83/904502183.db2.gz	ANOMIZMTVGNTMH-YLJYHZDGSA-N	1	0	370.453	1.303	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ncoc3CC)CCC[C@@H]12	ZINC001107338226	904512174	/nfs/dbraw/zinc/51/21/74/904512174.db2.gz	NRSOOOBLUACRRV-DNVCBOLYSA-N	1	0	360.458	1.514	20	30		FDEDRO
CC[C@H](SC)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107363619	904561945	/nfs/dbraw/zinc/56/19/45/904561945.db2.gz	JNAZHEHVMOZIKG-JJRVBVJISA-N	1	0	352.504	1.129	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCOC)CC2	ZINC001107381304	904650238	/nfs/dbraw/zinc/65/02/38/904650238.db2.gz	HWIVIKMAOAVGMB-BHIYHBOVSA-N	1	0	354.491	1.337	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@@]3(CNC(=O)C#CC(C)C)CCC[C@@H]23)C1=O	ZINC001107397140	904718427	/nfs/dbraw/zinc/71/84/27/904718427.db2.gz	UQTCVQOHMZOWMU-WAOWUJCRSA-N	1	0	357.498	1.794	20	30		FDEDRO
O=C(C#CC1CC1)NC[C@]12CCC[C@H]1[N@H+](CCOC[C@H]1CCCO1)CC2	ZINC001107400019	904731215	/nfs/dbraw/zinc/73/12/15/904731215.db2.gz	VWDCLUKMHNOQIQ-SFHLNBCPSA-N	1	0	360.498	1.956	20	30		FDEDRO
C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(CC)CC)CC2	ZINC001107404944	904748379	/nfs/dbraw/zinc/74/83/79/904748379.db2.gz	WZJJOUSSJZAZFJ-YLJYHZDGSA-N	1	0	363.502	1.256	20	30		FDEDRO
C=C(Br)C[NH2+]C1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1	ZINC000996710206	904849992	/nfs/dbraw/zinc/84/99/92/904849992.db2.gz	AFHMSCFTMVFSAA-TZMCWYRMSA-N	1	0	360.296	1.195	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cnn4c3CCC4)CCC[C@@H]12	ZINC001107429366	904866227	/nfs/dbraw/zinc/86/62/27/904866227.db2.gz	HPTHIVPNWLISOU-YLJYHZDGSA-N	1	0	371.485	1.106	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cc2nn(C)c3ccccc23)[C@H](OC)C1	ZINC001081672979	904920219	/nfs/dbraw/zinc/92/02/19/904920219.db2.gz	RHAPLESOPQQVTB-IEBWSBKVSA-N	1	0	356.470	1.897	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)C[NH+]3CCOCC3)CCC[C@@H]12	ZINC001107449801	904971247	/nfs/dbraw/zinc/97/12/47/904971247.db2.gz	XXOWVMNVHCADGM-WIYYLYMNSA-N	1	0	361.530	1.729	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@]3(C)CCNC(=O)C3)CCC[C@@H]12	ZINC001107451213	904986566	/nfs/dbraw/zinc/98/65/66/904986566.db2.gz	RJFHKJDRSWQIIV-LSTHTHJFSA-N	1	0	363.502	1.466	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]2C)cc1	ZINC001080244947	904996889	/nfs/dbraw/zinc/99/68/89/904996889.db2.gz	SSCQMZACBJCMDU-ATZDWAIDSA-N	1	0	353.466	1.727	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4cncn4C3)CCC[C@@H]12	ZINC001107454771	905015462	/nfs/dbraw/zinc/01/54/62/905015462.db2.gz	NDMVXIQHGHJNJO-FBBABVLZSA-N	1	0	370.497	1.456	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[C@@H]4C[C@@H]4CC3)CCC[C@@H]12	ZINC001107479770	905152686	/nfs/dbraw/zinc/15/26/86/905152686.db2.gz	MWRNDHPRZHQLFR-ZPXGPAEQSA-N	1	0	371.525	1.923	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3(C4CC4)CCC3)CCC[C@@H]12	ZINC001107489528	905216546	/nfs/dbraw/zinc/21/65/46/905216546.db2.gz	XYIPFNVBTSFFNE-YLJYHZDGSA-N	1	0	357.498	1.677	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)CCC[C@@H]12	ZINC001107492242	905226315	/nfs/dbraw/zinc/22/63/15/905226315.db2.gz	VITAVRXHFZDOCU-DNVCBOLYSA-N	1	0	358.442	1.123	20	30		FDEDRO
CO[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C	ZINC001081855531	905242049	/nfs/dbraw/zinc/24/20/49/905242049.db2.gz	IKOSMYAJXQEOIO-GUDVDZBRSA-N	1	0	356.470	1.358	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3Cc4ccccc43)CCC[C@@H]12	ZINC001107522506	905300879	/nfs/dbraw/zinc/30/08/79/905300879.db2.gz	FFRAHZJEYIBFGJ-WAOWUJCRSA-N	1	0	366.465	1.327	20	30		FDEDRO
C=C[C@H](CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCN1CCNC1=O)CC2	ZINC001107515150	905312711	/nfs/dbraw/zinc/31/27/11/905312711.db2.gz	NWLYVLZBWMWPCZ-MBOZVWFJSA-N	1	0	362.518	1.975	20	30		FDEDRO
NC(=O)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC#Cc1cccc(Cl)c1)CC2	ZINC001107530408	905358272	/nfs/dbraw/zinc/35/82/72/905358272.db2.gz	PXMSCVMRLVJXHA-VQIMIIECSA-N	1	0	359.857	1.538	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)Oc3cccnc3)CCC[C@@H]12	ZINC001107542010	905458997	/nfs/dbraw/zinc/45/89/97/905458997.db2.gz	UJSYSWOJBKQMNL-YFVAEKQCSA-N	1	0	371.481	1.860	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C(=O)NC)cc2)C[C@H]1C	ZINC001080470932	905491072	/nfs/dbraw/zinc/49/10/72/905491072.db2.gz	FLHPWGYANMSBSP-AXUOBQJMSA-N	1	0	371.481	1.574	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1C	ZINC001080472215	905495287	/nfs/dbraw/zinc/49/52/87/905495287.db2.gz	JPHMSTKLTFRGOI-PILAGYSTSA-N	1	0	357.454	1.313	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3(C(C)(F)F)CC3)CCC[C@@H]12	ZINC001107550837	905504809	/nfs/dbraw/zinc/50/48/09/905504809.db2.gz	MYGHHLJHOZINHK-RDTXWAMCSA-N	1	0	367.440	1.532	20	30		FDEDRO
C=C(C)CCN1CC[NH+](C2CCC(NC(=O)[C@H]3C[C@H]3C(N)=O)CC2)CC1	ZINC000996789797	905528734	/nfs/dbraw/zinc/52/87/34/905528734.db2.gz	VCKYRVMIMABFNG-HIEASXQVSA-N	1	0	362.518	1.119	20	30		FDEDRO
CCc1c(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)ccn1C	ZINC001107547300	905528988	/nfs/dbraw/zinc/52/89/88/905528988.db2.gz	INSUQVKIINYBAA-YLJYHZDGSA-N	1	0	371.485	1.202	20	30		FDEDRO
N#Cc1cccnc1-n1cc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cn1	ZINC000764739601	905547847	/nfs/dbraw/zinc/54/78/47/905547847.db2.gz	DUAGKIZERAUUMP-JKSUJKDBSA-N	1	0	367.413	1.124	20	30		FDEDRO
CCc1nc(C#N)cc(NC/C=C/CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)n1	ZINC001107553653	905564553	/nfs/dbraw/zinc/56/45/53/905564553.db2.gz	VWEDUWAPOILFRO-BUWFCSEKSA-N	1	0	356.474	1.725	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C(C)C)n[nH]3)CCC[C@@H]12	ZINC001107555911	905577453	/nfs/dbraw/zinc/57/74/53/905577453.db2.gz	ZXXODXFQLOKKDZ-YLJYHZDGSA-N	1	0	371.485	1.257	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccnc(N(C)C)c3)CCC[C@@H]12	ZINC001107563506	905601894	/nfs/dbraw/zinc/60/18/94/905601894.db2.gz	DMNSFGRTXFTVBE-WIYYLYMNSA-N	1	0	370.497	1.772	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccnc(C4CC4)n3)CCC[C@@H]12	ZINC001107563544	905601955	/nfs/dbraw/zinc/60/19/55/905601955.db2.gz	GQMZANCFKGIGHE-WIYYLYMNSA-N	1	0	368.481	1.978	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C)[nH]c3C)CCC[C@@H]12	ZINC001107560348	905628460	/nfs/dbraw/zinc/62/84/60/905628460.db2.gz	IGMUJACPUHMMJJ-YLJYHZDGSA-N	1	0	358.486	1.908	20	30		FDEDRO
CCn1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC#CCOC)CC3)c(C)n1	ZINC001107560670	905630538	/nfs/dbraw/zinc/63/05/38/905630538.db2.gz	VCXSDKLPTHBPTL-UYAOXDASSA-N	1	0	358.486	1.836	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)c3ccc(C)o3)CCC[C@@H]12	ZINC001107570867	905648095	/nfs/dbraw/zinc/64/80/95/905648095.db2.gz	GQNZXSHGBQGMGM-HGHGUNKESA-N	1	0	371.481	1.802	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCN(CC(F)(F)F)C2)[C@H](OC)C1	ZINC001082068638	905718580	/nfs/dbraw/zinc/71/85/80/905718580.db2.gz	ZJLLJSVODHOQLC-RRFJBIMHSA-N	1	0	363.424	1.652	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCn3nc(C)cc3C)C[C@H]2C)nn1	ZINC001080577528	905731497	/nfs/dbraw/zinc/73/14/97/905731497.db2.gz	FPOHRVFQYHAMLM-CZUORRHYSA-N	1	0	357.462	1.028	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](CCO[C@@H]3CC3(F)F)C[C@H]2C)nn1	ZINC001080589938	905758426	/nfs/dbraw/zinc/75/84/26/905758426.db2.gz	UKNZGOSAOFVSOZ-UMVBOHGHSA-N	1	0	369.416	1.329	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)C3CCOCC3)CCC[C@@H]12	ZINC001107579934	905787995	/nfs/dbraw/zinc/78/79/95/905787995.db2.gz	RTXXBEBWVVORFG-YLJYHZDGSA-N	1	0	363.502	1.466	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]2OC)CC1	ZINC001082102228	905798404	/nfs/dbraw/zinc/79/84/04/905798404.db2.gz	ZUXOQMGCMCTQQG-QZTJIDSGSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCn3cccc3)CCC[C@@H]12	ZINC001107585588	905826093	/nfs/dbraw/zinc/82/60/93/905826093.db2.gz	HWQARPMOQRJFHV-YLJYHZDGSA-N	1	0	358.486	1.541	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CNC(=O)CSCC#N)CC[N@@H+]1C	ZINC001082104634	905886472	/nfs/dbraw/zinc/88/64/72/905886472.db2.gz	QYPAOIRIFXFIQZ-HRCADAONSA-N	1	0	366.531	1.471	20	30		FDEDRO
CCCNC(=O)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC#CCOC)CC2	ZINC001107611848	905972603	/nfs/dbraw/zinc/97/26/03/905972603.db2.gz	GYIVKJJUPGVVJO-YLJYHZDGSA-N	1	0	363.502	1.303	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)c3ccc(F)cc3)CCC[C@@H]12	ZINC001107625191	906036446	/nfs/dbraw/zinc/03/64/46/906036446.db2.gz	KGMHUXMGLKHGHH-WIYYLYMNSA-N	1	0	371.456	1.940	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)Cn3ccc(C(F)(F)F)n3)CCC[C@@H]12	ZINC001107627178	906088397	/nfs/dbraw/zinc/08/83/97/906088397.db2.gz	INMOHCWYAOSZRH-GDBMZVCRSA-N	1	0	354.376	1.896	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ncc4n3CCCC4)CCC[C@@H]12	ZINC001107635662	906129999	/nfs/dbraw/zinc/12/99/99/906129999.db2.gz	WVNBJYAEZIMSJO-WIYYLYMNSA-N	1	0	370.497	1.844	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)CCN3CCCC3=O)CCC[C@@H]12	ZINC001107636927	906137827	/nfs/dbraw/zinc/13/78/27/906137827.db2.gz	LOBZNPMOQHXWPW-YLJYHZDGSA-N	1	0	363.502	1.562	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)COc3ccc(C(N)=O)cc3)CCC[C@@H]12	ZINC001107638489	906182120	/nfs/dbraw/zinc/18/21/20/906182120.db2.gz	CEHJYJACVCVHDE-WIYYLYMNSA-N	1	0	369.465	1.548	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)CCOC)CCC[C@@H]12	ZINC001107638865	906186518	/nfs/dbraw/zinc/18/65/18/906186518.db2.gz	PPLCUTSJLWJTHW-FRQCXROJSA-N	1	0	351.491	1.322	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCNC(=O)C1CC1)CC2	ZINC001107651184	906230065	/nfs/dbraw/zinc/23/00/65/906230065.db2.gz	SODSPJIJKUMQCY-XAUMDUMWSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC(=O)N(C)C3)CCC[C@@H]12	ZINC001107646720	906264872	/nfs/dbraw/zinc/26/48/72/906264872.db2.gz	RUODCCFXUNXIRD-SQGPQFPESA-N	1	0	363.502	1.418	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3ccccc3)C[C@H]2OC)nn1	ZINC001082214462	906304836	/nfs/dbraw/zinc/30/48/36/906304836.db2.gz	ZKBJWDZAHPJPON-QGPMSJSTSA-N	1	0	355.442	1.654	20	30		FDEDRO
COc1ccc(C#N)cc1CN1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1	ZINC001080942826	906765676	/nfs/dbraw/zinc/76/56/76/906765676.db2.gz	BNLWJUHBKZKUMT-CRAIPNDOSA-N	1	0	356.470	1.599	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1CCC(=O)N(C)C1	ZINC001081005601	906925524	/nfs/dbraw/zinc/92/55/24/906925524.db2.gz	QDNVASNCCLMOLA-ZTFGCOKTSA-N	1	0	354.454	1.363	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@H]1OC	ZINC001082345323	906935158	/nfs/dbraw/zinc/93/51/58/906935158.db2.gz	FBVFVPWPYTZEGW-NJDAHSKKSA-N	1	0	370.493	1.985	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3c3ccco3)CC2)C1=O	ZINC000997026972	906952788	/nfs/dbraw/zinc/95/27/88/906952788.db2.gz	PCFUOIIPJGMFCO-ZACQAIPSSA-N	1	0	357.454	1.751	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cc2cccc(NC(C)=O)c2)[C@H](OC)C1	ZINC001082336898	906970943	/nfs/dbraw/zinc/97/09/43/906970943.db2.gz	PAPQSGAVZYSOCW-RTBURBONSA-N	1	0	359.470	1.969	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)C(=O)N2CCCCC2)CC1	ZINC000997022798	906972249	/nfs/dbraw/zinc/97/22/49/906972249.db2.gz	SLWGHHDXEVNDII-NXHRZFHOSA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN([C@H](C)c3ncc(C)o3)C[C@H]2C)CC1	ZINC001080998159	906975807	/nfs/dbraw/zinc/97/58/07/906975807.db2.gz	VJOYEKTUDZMUCQ-QGPMSJSTSA-N	1	0	358.486	1.826	20	30		FDEDRO
COc1cncc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2c2ccccc2)n1	ZINC001081098425	907162464	/nfs/dbraw/zinc/16/24/64/907162464.db2.gz	BJCIGQYWMACVBR-JCGIZDLHSA-N	1	0	365.437	1.729	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2nnn(C(C)(C)C)n2)C[C@H]1c1ccccc1	ZINC001081120939	907178008	/nfs/dbraw/zinc/17/80/08/907178008.db2.gz	LOCKTBLELCHOMF-DLBZAZTESA-N	1	0	368.485	1.741	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)COCC3)C[C@H]1c1ccccc1	ZINC001081133801	907234476	/nfs/dbraw/zinc/23/44/76/907234476.db2.gz	FQBOWYZARZIWJS-DLBZAZTESA-N	1	0	352.438	1.797	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)C[C@H]1c1ccccc1	ZINC001081135318	907239059	/nfs/dbraw/zinc/23/90/59/907239059.db2.gz	QKGZQPAMKDWVIQ-YESZJQIVSA-N	1	0	367.453	1.316	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1c1ccccc1	ZINC001081137717	907242990	/nfs/dbraw/zinc/24/29/90/907242990.db2.gz	MCYGBXOQGBHKPI-IXDOHACOSA-N	1	0	361.873	1.849	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1	ZINC001098835087	907245887	/nfs/dbraw/zinc/24/58/87/907245887.db2.gz	JFMHSLRPCPTSRH-FTRWYGJKSA-N	1	0	371.485	1.700	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2c(C)nc[nH]c2=O)C[C@H]1c1ccccc1	ZINC001081140334	907248491	/nfs/dbraw/zinc/24/84/91/907248491.db2.gz	UZQVTOKMQWICIS-RBUKOAKNSA-N	1	0	364.449	1.641	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1c1ccccc1	ZINC001081140777	907249542	/nfs/dbraw/zinc/24/95/42/907249542.db2.gz	AUUKCPPKMQUHPO-FGTMMUONSA-N	1	0	362.495	1.581	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1c1ccccc1	ZINC001081147018	907260867	/nfs/dbraw/zinc/26/08/67/907260867.db2.gz	VQDZDGULEXCLLD-HCXYKTFWSA-N	1	0	371.481	1.570	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCN2CCNC2=O)C1	ZINC001081158214	907276592	/nfs/dbraw/zinc/27/65/92/907276592.db2.gz	MBRSJTVLFFZTSI-ZWKOTPCHSA-N	1	0	370.497	1.808	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)c(C(N)=O)cn2)C[C@H]1c1ccccc1	ZINC001081183484	907357143	/nfs/dbraw/zinc/35/71/43/907357143.db2.gz	MPRMDZUWPJQIMQ-PKOBYXMFSA-N	1	0	362.433	1.320	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]C[C@@H](C)O)C2)nn1	ZINC001081193372	907371975	/nfs/dbraw/zinc/37/19/75/907371975.db2.gz	WLOQCCDCVRJQHN-HYVNUMGLSA-N	1	0	355.442	1.043	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(N)=O)C1	ZINC001081195697	907374485	/nfs/dbraw/zinc/37/44/85/907374485.db2.gz	PIIZETLEXNEIJB-GNBUJSLZSA-N	1	0	371.481	1.427	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)nc2)C[C@H]1c1ccccc1	ZINC001081233966	907436041	/nfs/dbraw/zinc/43/60/41/907436041.db2.gz	RGGYBNMBGKXVRK-PKOBYXMFSA-N	1	0	364.449	1.954	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)ccn2)C[C@H]1c1ccccc1	ZINC001081238894	907442307	/nfs/dbraw/zinc/44/23/07/907442307.db2.gz	VUEFPYAZKZPFCJ-FUHWJXTLSA-N	1	0	350.422	1.564	20	30		FDEDRO
O=C(CO[NH+]=Cc1ccc(N2CCOCC2)cc1)N1CCOC[C@H]1C1CC1	ZINC000765530702	907483469	/nfs/dbraw/zinc/48/34/69/907483469.db2.gz	QTBOLWIQMBCMDD-IBGZPJMESA-N	1	0	373.453	1.511	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cnc(C)cn3)C[C@H]2C)cc1C#N	ZINC001082413670	907634004	/nfs/dbraw/zinc/63/40/04/907634004.db2.gz	AZLANLOQTJATAK-FZKQIMNGSA-N	1	0	365.437	1.916	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082415649	907647192	/nfs/dbraw/zinc/64/71/92/907647192.db2.gz	VRTDWUPMBZBLFK-FZKQIMNGSA-N	1	0	354.385	1.581	20	30		FDEDRO
CC(C)CC(=O)N1CCC(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)CC1	ZINC001082451359	907730041	/nfs/dbraw/zinc/73/00/41/907730041.db2.gz	XOURHHBFVJFVGE-JFIYKMOQSA-N	1	0	362.518	1.867	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NCc1nc(-c2ccco2)no1	ZINC001082464399	907899019	/nfs/dbraw/zinc/89/90/19/907899019.db2.gz	NBCAQUZMFNGSKO-BXUZGUMPSA-N	1	0	366.381	1.780	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C)C(=O)N1CCCCCC1	ZINC001082482149	907958263	/nfs/dbraw/zinc/95/82/63/907958263.db2.gz	XBDGFNAMFKOLPV-IIDMSEBBSA-N	1	0	371.485	1.728	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CC3=CCCCC3)C[C@H]2O)cc1	ZINC001077795101	907979063	/nfs/dbraw/zinc/97/90/63/907979063.db2.gz	AFUYUQUXLVFBDC-WOJBJXKFSA-N	1	0	354.450	1.974	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cc(=O)n(C)o3)C[C@H]2C)cc1C#N	ZINC001082490386	907996955	/nfs/dbraw/zinc/99/69/55/907996955.db2.gz	XILKETIDRBLNCP-IUODEOHRSA-N	1	0	370.409	1.109	20	30		FDEDRO
Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)nn1	ZINC001082505451	908123234	/nfs/dbraw/zinc/12/32/34/908123234.db2.gz	GOVXBLAOSDCWSC-AUUYWEPGSA-N	1	0	365.437	1.938	20	30		FDEDRO
C[C@@H]1CN(C(=O)CO[C@@H]2CCOC2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082508034	908150936	/nfs/dbraw/zinc/15/09/36/908150936.db2.gz	NLQMMTMXCPIGKQ-MZMPZRCHSA-N	1	0	361.417	1.439	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2cnn(CC)c2)C1	ZINC001082519284	908207727	/nfs/dbraw/zinc/20/77/27/908207727.db2.gz	AKRHNMAGXZBHNO-OWYHZJEWSA-N	1	0	360.502	1.863	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cncc3nc[nH]c32)C[C@H]1C	ZINC001082524015	908244324	/nfs/dbraw/zinc/24/43/24/908244324.db2.gz	BHCDEMZZIYEVBR-NOZJJQNGSA-N	1	0	364.247	1.917	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cn(C(C)(C)C)nn2)C[C@H]1C	ZINC001082549165	908484799	/nfs/dbraw/zinc/48/47/99/908484799.db2.gz	UUXVSAYZPCWHNJ-ZYHUDNBSSA-N	1	0	370.295	1.992	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082556701	908582987	/nfs/dbraw/zinc/58/29/87/908582987.db2.gz	ZCLQMRIDQKTHPM-HACGYAERSA-N	1	0	358.417	1.160	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC001082568037	908706658	/nfs/dbraw/zinc/70/66/58/908706658.db2.gz	UBIFDZOXIABCLP-YSGRDPCXSA-N	1	0	368.456	1.731	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C3CC3)no2)C1	ZINC001082568789	908712230	/nfs/dbraw/zinc/71/22/30/908712230.db2.gz	RQNYYEBMTAWOGE-ZMYBRWDISA-N	1	0	356.470	1.586	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H]3CCN(CC)C3=O)C2)cc1	ZINC001082600434	908963063	/nfs/dbraw/zinc/96/30/63/908963063.db2.gz	WLDCQFDOZBFYEH-AYOQOUSVSA-N	1	0	371.481	1.922	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2CCC(C(N)=O)CC2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082609997	908996491	/nfs/dbraw/zinc/99/64/91/908996491.db2.gz	VAHMCDNMOMNUQP-YOODTLSXSA-N	1	0	368.481	1.786	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)COC3CCCCC3)C[C@H]2C)C1=O	ZINC001082610325	908999458	/nfs/dbraw/zinc/99/94/58/908999458.db2.gz	VECZVPVQHUBKDT-BPQIPLTHSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1CN(CC(=O)NCCCC)C[C@H]1OC)OCC	ZINC001212354563	909067571	/nfs/dbraw/zinc/06/75/71/909067571.db2.gz	BHFIQAKQICNUBH-BRWVUGGUSA-N	1	0	369.506	1.089	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn3cccnc3n2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082617065	909074981	/nfs/dbraw/zinc/07/49/81/909074981.db2.gz	QMQHKGTXIRAOMU-IUODEOHRSA-N	1	0	366.450	1.913	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC000997550557	909146587	/nfs/dbraw/zinc/14/65/87/909146587.db2.gz	SCGZAIBFBWFXTE-DZVNLGKHSA-N	1	0	370.497	1.876	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCCC(=O)N2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082632496	909187339	/nfs/dbraw/zinc/18/73/39/909187339.db2.gz	YPUYYSJALWCGOR-ZTFGCOKTSA-N	1	0	354.454	1.554	20	30		FDEDRO
CO[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1)c1cnn(C)c1	ZINC001082667045	909466214	/nfs/dbraw/zinc/46/62/14/909466214.db2.gz	XPYLFIVPRQOBEC-NIKGAXFTSA-N	1	0	367.453	1.616	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2C)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082680068	909508510	/nfs/dbraw/zinc/50/85/10/909508510.db2.gz	OJYWGIQSTXRDHH-FHLIZLRMSA-N	1	0	354.454	1.506	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082688821	909578734	/nfs/dbraw/zinc/57/87/34/909578734.db2.gz	OUMOMWVSQLJHLR-OLMNPRSZSA-N	1	0	370.453	1.146	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccoc3C3CC3)C[C@H]2C)C1=O	ZINC001082707403	909735045	/nfs/dbraw/zinc/73/50/45/909735045.db2.gz	IAYBHGJOYJKTDT-KBRIMQKVSA-N	1	0	357.454	1.994	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082744553	909964995	/nfs/dbraw/zinc/96/49/95/909964995.db2.gz	RWDHQSLHLUQRKS-FZKQIMNGSA-N	1	0	370.432	1.395	20	30		FDEDRO
C=CCC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@@H]1OC[C@@H]3CCC[C@@H]31)CC2	ZINC001128011932	910035571	/nfs/dbraw/zinc/03/55/71/910035571.db2.gz	GFIZOQDLHLOXKK-IUVQAAGXSA-N	1	0	373.501	1.580	20	30		FDEDRO
C#CCC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@]13CCC[C@H]1OCC3)CC2	ZINC001128012185	910046832	/nfs/dbraw/zinc/04/68/32/910046832.db2.gz	KREXWKHNKWCXRQ-YRNRMSPPSA-N	1	0	371.485	1.171	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccnc(C4CC4)n3)C[C@H]2C)C1=O	ZINC001082778620	910125357	/nfs/dbraw/zinc/12/53/57/910125357.db2.gz	UJHNJXPDUDBMSD-XOKHGSTOSA-N	1	0	369.469	1.191	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cncc(OC)n2)C1	ZINC001082795338	910180543	/nfs/dbraw/zinc/18/05/43/910180543.db2.gz	SKTBMMCCGJHUDH-XZKMEQPCSA-N	1	0	374.485	1.793	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cn[nH]c2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082794902	910205772	/nfs/dbraw/zinc/20/57/72/910205772.db2.gz	SXGKFUAEXFLEIA-FZKQIMNGSA-N	1	0	355.417	1.990	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ncccn2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082817820	910296757	/nfs/dbraw/zinc/29/67/57/910296757.db2.gz	XCISKYGMBZUKHR-RHSMWYFYSA-N	1	0	351.410	1.629	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cc(=O)[nH]c3ncn(C)c32)[C@H](OC)C1	ZINC001212389755	910386508	/nfs/dbraw/zinc/38/65/08/910386508.db2.gz	YPEMTKLEUKSQIS-ZIAGYGMSSA-N	1	0	359.430	1.069	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CCC[N@H+](CC(=O)N2CCC2)CC1	ZINC000998124196	910412455	/nfs/dbraw/zinc/41/24/55/910412455.db2.gz	DGDVEZCZFBRGFR-KURKYZTESA-N	1	0	363.502	1.513	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2conc2C)C1	ZINC001082868984	910509781	/nfs/dbraw/zinc/50/97/81/910509781.db2.gz	HXYMFRWQSQLUAF-CXAGYDPISA-N	1	0	354.410	1.640	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2OC)C[C@H]1C	ZINC001082886322	910648137	/nfs/dbraw/zinc/64/81/37/910648137.db2.gz	QSRCUTQTNRACKT-BXKDBHETSA-N	1	0	357.252	1.387	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCCCC(=O)N2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082884252	910659101	/nfs/dbraw/zinc/65/91/01/910659101.db2.gz	KIADWQOGWCTHNZ-AYOQOUSVSA-N	1	0	368.481	1.944	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2snnc2C)C1=O	ZINC001085130269	921607541	/nfs/dbraw/zinc/60/75/41/921607541.db2.gz	GHQZAYCTTHOQJM-MGPQQGTHSA-N	1	0	363.487	1.264	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082911598	910854815	/nfs/dbraw/zinc/85/48/15/910854815.db2.gz	KASRDXNILFATIA-CRAIPNDOSA-N	1	0	350.422	1.357	20	30		FDEDRO
Cc1nccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)n1	ZINC001082927867	910964191	/nfs/dbraw/zinc/96/41/91/910964191.db2.gz	XXFKYOUONPZTMP-AUUYWEPGSA-N	1	0	365.437	1.938	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccnc2C(N)=O)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082936247	910972146	/nfs/dbraw/zinc/97/21/46/910972146.db2.gz	VNWUODZDYPQNHX-IAQYHMDHSA-N	1	0	369.450	1.364	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C#N)ccc1OCCOC	ZINC000273072098	911023213	/nfs/dbraw/zinc/02/32/13/911023213.db2.gz	HIRNJINURGNKCK-HNNXBMFYSA-N	1	0	374.441	1.122	20	30		FDEDRO
CC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001082949233	911063642	/nfs/dbraw/zinc/06/36/42/911063642.db2.gz	BHRLQMOSXHRUPN-NIKGAXFTSA-N	1	0	354.454	1.506	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2scnc2C)C[C@H]1O	ZINC001077821751	911146205	/nfs/dbraw/zinc/14/62/05/911146205.db2.gz	FCJWGGZAYQFLGY-HWMZRRJGSA-N	1	0	365.499	1.137	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(C)n2C)C1=O	ZINC001085133104	921642532	/nfs/dbraw/zinc/64/25/32/921642532.db2.gz	HLQMTOKRBOYMFO-ZACQAIPSSA-N	1	0	358.486	1.751	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)cn1	ZINC000998653886	911397076	/nfs/dbraw/zinc/39/70/76/911397076.db2.gz	BPRRCKVYHCCBQX-SQNIBIBYSA-N	1	0	364.449	1.020	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cccn3)cc2)[C@H](OC)C1	ZINC001212407739	911582201	/nfs/dbraw/zinc/58/22/01/911582201.db2.gz	DONCCUBBDLNLPN-RTBURBONSA-N	1	0	370.453	1.504	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cncc(OC)n2)C1	ZINC000998785493	911662554	/nfs/dbraw/zinc/66/25/54/911662554.db2.gz	RCLDJMDOFOEIIJ-BNICSPFPSA-N	1	0	360.458	1.545	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nnc(C3CC3)[nH]2)C1	ZINC000998788206	911674817	/nfs/dbraw/zinc/67/48/17/911674817.db2.gz	PVSAFBCXIRPMST-FJBKBRRZSA-N	1	0	359.474	1.742	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C(F)(F)F)n(C)n3)[C@H]2C1	ZINC001083093030	911979376	/nfs/dbraw/zinc/97/93/76/911979376.db2.gz	NOMXGBAUHBXYNG-QWHCGFSZSA-N	1	0	358.364	1.540	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(CC)n[nH]2)C1=O	ZINC001085137679	921711016	/nfs/dbraw/zinc/71/10/16/921711016.db2.gz	AVHAZWAYTMLNGP-OAGGEKHMSA-N	1	0	359.474	1.390	20	30		FDEDRO
CN(C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C1CC([NH2+]Cc2cccc(C#N)c2)C1	ZINC000999160233	912139438	/nfs/dbraw/zinc/13/94/38/912139438.db2.gz	HAMSGBQTYSDMLO-AABGDIPYSA-N	1	0	369.465	1.689	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCCN3CC3CCC3)[C@@H]2C1	ZINC001084548043	915314218	/nfs/dbraw/zinc/31/42/18/915314218.db2.gz	YXLIKYJKOGOWNX-AQNXPRMDSA-N	1	0	361.530	1.986	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4cnoc4)[C@@H]3C2)cc1	ZINC001084600141	915528643	/nfs/dbraw/zinc/52/86/43/915528643.db2.gz	LWIGUAAIHHRKSB-IEBWSBKVSA-N	1	0	366.421	1.852	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3CC[N@H+](CCC[C@H]4CCOC4)C[C@H]32)nn1	ZINC001084708775	916393453	/nfs/dbraw/zinc/39/34/53/916393453.db2.gz	SUAQXHSDPLYFKK-LZLYRXPVSA-N	1	0	359.474	1.427	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@@H]4CCC(=O)N4)[C@@H]3C2)cc1	ZINC001084718170	916476716	/nfs/dbraw/zinc/47/67/16/916476716.db2.gz	ZYYDZXYYXVPTQA-FGTMMUONSA-N	1	0	352.438	1.260	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)[C@@H]2C1	ZINC001084715329	916495614	/nfs/dbraw/zinc/49/56/14/916495614.db2.gz	ZZEYWNLWGMAATR-NCXUSEDFSA-N	1	0	358.486	1.787	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](CCn4nc(C)cc4C)C[C@H]32)nc1	ZINC001084783687	917089069	/nfs/dbraw/zinc/08/90/69/917089069.db2.gz	DQIIGRNLYHBNJR-UYAOXDASSA-N	1	0	363.465	1.723	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](C[C@@H](O)c4ccccc4)C[C@H]32)cn1	ZINC001084784504	917093519	/nfs/dbraw/zinc/09/35/19/917093519.db2.gz	SCZZECXBWDCMOK-HMXCVIKNSA-N	1	0	361.445	1.943	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](C[C@@H]4CCNC(=O)CC4)C[C@H]32)cn1	ZINC001084784568	917094607	/nfs/dbraw/zinc/09/46/07/917094607.db2.gz	VNUHMLKLCAKFHX-KVSKMBFKSA-N	1	0	366.465	1.126	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4cc(C)ncn4)C[C@H]32)CC1	ZINC001084851292	917660420	/nfs/dbraw/zinc/66/04/20/917660420.db2.gz	WFCFCFMDZBCILB-UYAOXDASSA-N	1	0	367.497	1.163	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1	ZINC000731125808	917772505	/nfs/dbraw/zinc/77/25/05/917772505.db2.gz	OBZXCRJYEIAXHK-SFHVURJKSA-N	1	0	373.453	1.110	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1	ZINC000731127939	917773980	/nfs/dbraw/zinc/77/39/80/917773980.db2.gz	QDSCTIMWFALTGS-HOTGVXAUSA-N	1	0	357.454	1.874	20	30		FDEDRO
O=C(C1=COCCO1)N1CC[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)[C@H]2C1	ZINC001084884223	917974355	/nfs/dbraw/zinc/97/43/55/917974355.db2.gz	MHCKWCLAFJLOGR-MJGOQNOKSA-N	1	0	370.424	1.988	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cccc(C)n4)C[C@@H]32)C1=O	ZINC001084891749	918041030	/nfs/dbraw/zinc/04/10/30/918041030.db2.gz	PGKJEOVFESDEPX-WDSOQIARSA-N	1	0	368.481	1.713	20	30		FDEDRO
C=CC(C)(C)CC(=O)NC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCO1	ZINC001065212699	918161316	/nfs/dbraw/zinc/16/13/16/918161316.db2.gz	SXAAQFBQBXUBEK-YESZJQIVSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=C1CC(C)(C(=O)NC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCO2)C1	ZINC001065212746	918222088	/nfs/dbraw/zinc/22/20/88/918222088.db2.gz	UZMUUSSVEUCPNW-IXDOHACOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ncccc4C)C[C@@H]32)C1=O	ZINC001084915813	918288095	/nfs/dbraw/zinc/28/80/95/918288095.db2.gz	SLMJBRBAFBIYHO-KSZLIROESA-N	1	0	368.481	1.713	20	30		FDEDRO
CN1CCOC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@H]2C1	ZINC001084925114	918354950	/nfs/dbraw/zinc/35/49/50/918354950.db2.gz	JXRQELDTTKIVBJ-HSALFYBXSA-N	1	0	368.481	1.312	20	30		FDEDRO
O=C([C@@H]1COC(=O)N1)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001084932350	918485435	/nfs/dbraw/zinc/48/54/35/918485435.db2.gz	SUHNUGJQOYQLPV-SQNIBIBYSA-N	1	0	353.422	1.069	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3nccn3)C[C@@H]21	ZINC001084949640	918685096	/nfs/dbraw/zinc/68/50/96/918685096.db2.gz	LCXBVERZISGDKJ-QAPCUYQASA-N	1	0	350.426	1.273	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)C4C=CC=CC=C4)C[C@@H]32)C1=O	ZINC001084951047	918702124	/nfs/dbraw/zinc/70/21/24/918702124.db2.gz	VLOREULQZIUHHU-SXLOBPIMSA-N	1	0	367.493	1.995	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3c3ncccn3)C[C@@H]21	ZINC001084961447	918864790	/nfs/dbraw/zinc/86/47/90/918864790.db2.gz	HRYODFXZHNPGPR-KURKYZTESA-N	1	0	355.486	1.944	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc4c(c3)NC(=O)C4)C[C@@H]21	ZINC001084960888	918903992	/nfs/dbraw/zinc/90/39/92/918903992.db2.gz	VBDMLHIWHDENOE-APWZRJJASA-N	1	0	351.450	1.670	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)C4(C5CC5)CC4)C[C@@H]32)C1=O	ZINC001084966614	918916519	/nfs/dbraw/zinc/91/65/19/918916519.db2.gz	VTAOTNPKTOJONF-SZMVWBNQSA-N	1	0	357.498	1.886	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)o3)C[C@@H]21	ZINC001084980756	919148500	/nfs/dbraw/zinc/14/85/00/919148500.db2.gz	XNOOMRNKYXULAN-OLZOCXBDSA-N	1	0	353.444	1.040	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3OCC(N)=O)C[C@@H]21	ZINC001084984629	919174570	/nfs/dbraw/zinc/17/45/70/919174570.db2.gz	JYFLTOWOKXNFER-WBVHZDCISA-N	1	0	357.454	1.663	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3COCCN3C3CCCC3)C[C@@H]21	ZINC001085015014	919667830	/nfs/dbraw/zinc/66/78/30/919667830.db2.gz	QZCBERRGXRMYEV-HOJAQTOUSA-N	1	0	359.514	1.576	20	30		FDEDRO
Cn1cc(C(=O)N2CC[C@H]3CC[N@H+](CC#Cc4ccccc4)[C@H]3C2)[nH]c1=O	ZINC001085022666	919776078	/nfs/dbraw/zinc/77/60/78/919776078.db2.gz	AGSMIDLAHPUWFX-MJGOQNOKSA-N	1	0	364.449	1.714	20	30		FDEDRO
C[NH+](C)CC1CCN(CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1	ZINC000732569683	919809052	/nfs/dbraw/zinc/80/90/52/919809052.db2.gz	VNPRBSJQCGBORJ-INIZCTEOSA-N	1	0	367.453	1.785	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N4CCCC4)[C@H]3C2)c1	ZINC001085027868	919813337	/nfs/dbraw/zinc/81/33/37/919813337.db2.gz	VYUJRCVIVZVBEH-MJGOQNOKSA-N	1	0	366.465	1.222	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3c4n(c(=O)n3C)CCCC4)C[C@@H]21	ZINC001085032739	919929894	/nfs/dbraw/zinc/92/98/94/919929894.db2.gz	XHJGMKNMVGANCM-WBVHZDCISA-N	1	0	358.486	1.636	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCn3nc(C)nc3C)[C@H]2C1	ZINC001085037687	919964182	/nfs/dbraw/zinc/96/41/82/919964182.db2.gz	WEVKVIMRGIVDQY-YRXWBPOGSA-N	1	0	373.501	1.409	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)Cc1ccccc1	ZINC000732700318	919991318	/nfs/dbraw/zinc/99/13/18/919991318.db2.gz	HQRNYEWFMGSRPY-MOPGFXCFSA-N	1	0	355.486	1.541	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3CC[N@H+](CC4CCOCC4)[C@H]3C2)nn1	ZINC001085051819	920098178	/nfs/dbraw/zinc/09/81/78/920098178.db2.gz	KTGQWXXPYUMFQF-AEFFLSMTSA-N	1	0	359.474	1.427	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3CC[N@H+](CC[C@@H]4CCCO4)[C@H]3C2)nn1	ZINC001085051980	920101318	/nfs/dbraw/zinc/10/13/18/920101318.db2.gz	WMXGACZMXLJKCC-RYRKJORJSA-N	1	0	359.474	1.570	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ccn(CC)n4)C[C@@H]32)C1=O	ZINC001085049772	920132067	/nfs/dbraw/zinc/13/20/67/920132067.db2.gz	YDIIRORYSWEGCJ-SZMVWBNQSA-N	1	0	371.485	1.226	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)C[C@@H]21	ZINC001085054582	920168836	/nfs/dbraw/zinc/16/88/36/920168836.db2.gz	LADUMVFYCWCMDJ-AKHDSKFASA-N	1	0	358.486	1.787	20	30		FDEDRO
N#CCC[C@H](C#N)C[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1	ZINC000732918564	920306681	/nfs/dbraw/zinc/30/66/81/920306681.db2.gz	OHNQTVKGXXWBMS-GFCCVEGCSA-N	1	0	352.382	1.581	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3c(C)cc(C)nc3=O)C[C@@H]21	ZINC001085063070	920315064	/nfs/dbraw/zinc/31/50/64/920315064.db2.gz	SUGTUFBBLUQCCH-MSOLQXFVSA-N	1	0	358.486	1.749	20	30		FDEDRO
Cc1nonc1CC(=O)N1CC[C@H]2CC[N@H+](Cc3ccc(C#N)s3)[C@H]2C1	ZINC001085066348	920387069	/nfs/dbraw/zinc/38/70/69/920387069.db2.gz	CXVFUEKABAFVKF-DYVFJYSZSA-N	1	0	371.466	1.977	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)Cc4nnc[nH]4)C[C@@H]32)c1	ZINC001085071203	920467613	/nfs/dbraw/zinc/46/76/13/920467613.db2.gz	WXJOFWVAIKNUNC-SJORKVTESA-N	1	0	350.426	1.342	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(Cn4cccn4)on3)C[C@@H]21	ZINC001085071021	920467783	/nfs/dbraw/zinc/46/77/83/920467783.db2.gz	IHZCNHPNSDUMIE-QAPCUYQASA-N	1	0	353.426	1.479	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3c[nH]nc3-c3cnn(C)c3)C[C@@H]21	ZINC001085071416	920472915	/nfs/dbraw/zinc/47/29/15/920472915.db2.gz	JXPKJSNMSPRAEZ-PBHICJAKSA-N	1	0	352.442	1.370	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)Cc4nnc[nH]4)C[C@@H]32)cc1F	ZINC001085071350	920474297	/nfs/dbraw/zinc/47/42/97/920474297.db2.gz	GHYIOFRNKIBRPF-PBHICJAKSA-N	1	0	368.416	1.481	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N4CCCC4)[C@H]3C2)cn1	ZINC001085078311	920539988	/nfs/dbraw/zinc/53/99/88/920539988.db2.gz	MSUJBFUFBYLEQQ-APWZRJJASA-N	1	0	366.465	1.222	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc4c(cn3)nc[nH]c4=O)C[C@@H]21	ZINC001085084054	920669274	/nfs/dbraw/zinc/66/92/74/920669274.db2.gz	GTFIPMFAFNKVRL-DYVFJYSZSA-N	1	0	351.410	1.290	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)C[NH+](CC)CC)ccc1F	ZINC000733169016	920722512	/nfs/dbraw/zinc/72/25/12/920722512.db2.gz	OBVQYNLHYDOIHF-CYBMUJFWSA-N	1	0	371.478	1.750	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C(=O)C(C)C)C[C@@H]21	ZINC001085099991	920907598	/nfs/dbraw/zinc/90/75/98/920907598.db2.gz	XFGXOPGRIAPEQM-QYZOEREBSA-N	1	0	359.514	1.970	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c(C)nn(C)c4n3)C[C@@H]21	ZINC001085101517	920926128	/nfs/dbraw/zinc/92/61/28/920926128.db2.gz	OKVFEQHEQYWRLG-QAPCUYQASA-N	1	0	351.454	1.836	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnc(C)s2)C1=O	ZINC001085147826	921814594	/nfs/dbraw/zinc/81/45/94/921814594.db2.gz	QBMQMNRUDMHNEH-KFWWJZLASA-N	1	0	362.499	1.869	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnn(CC)c2)C1=O	ZINC001085154332	921841336	/nfs/dbraw/zinc/84/13/36/921841336.db2.gz	ODPHQVDOLWHGJG-ZACQAIPSSA-N	1	0	359.474	1.321	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCNC(=O)C2)s1	ZINC001085167704	921934388	/nfs/dbraw/zinc/93/43/88/921934388.db2.gz	IQDFEAOKTQAXAQ-APHBMKBZSA-N	1	0	360.483	1.663	20	30		FDEDRO
CC1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)CC1	ZINC001085174032	921970060	/nfs/dbraw/zinc/97/00/60/921970060.db2.gz	SXGRWAQRPAAXLO-IAGOWNOFSA-N	1	0	371.485	1.775	20	30		FDEDRO
CC(C)c1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)n1C	ZINC001085173983	921970219	/nfs/dbraw/zinc/97/02/19/921970219.db2.gz	RDEKPFJOQWHNFC-HUUCEWRRSA-N	1	0	369.473	1.969	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN2CN=NC2=O)cc1	ZINC001085176811	922007668	/nfs/dbraw/zinc/00/76/68/922007668.db2.gz	XQQPFNIJEJTKOI-HZPDHXFCSA-N	1	0	354.414	1.073	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2COC(=O)N2)c1	ZINC001085187570	922075560	/nfs/dbraw/zinc/07/55/60/922075560.db2.gz	MXWATVPZBBJWSR-OAGGEKHMSA-N	1	0	360.389	1.323	20	30		FDEDRO
C[N@H+](CCNC(=O)CCNC(=O)C1N=CC=CC1=O)Cc1ccccc1	ZINC000733890125	922262282	/nfs/dbraw/zinc/26/22/82/922262282.db2.gz	ICGRDXHVBTVUDO-HNENSFHCSA-N	1	0	356.426	1.151	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3c2ccncc2C#N)CC[N@@H+]1C	ZINC001066201759	922620507	/nfs/dbraw/zinc/62/05/07/922620507.db2.gz	GNQLHVMRVVEMBX-YCEFEEMOSA-N	1	0	353.470	1.863	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@H]2CCN3c2ccnc(C#N)n2)CC[N@@H+]1C	ZINC001066202334	922622590	/nfs/dbraw/zinc/62/25/90/922622590.db2.gz	KIEUCTRCCVSEFX-VVLHAWIVSA-N	1	0	368.485	1.648	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCNC1=O	ZINC001085223334	922934298	/nfs/dbraw/zinc/93/42/98/922934298.db2.gz	GPVHNWZHSKIREY-YNEHKIRRSA-N	1	0	358.280	1.438	20	30		FDEDRO
CN1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)CC1=O	ZINC001085247386	923142663	/nfs/dbraw/zinc/14/26/63/923142663.db2.gz	JDTYROYTZPRCSO-GUDVDZBRSA-N	1	0	368.481	1.944	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC(=O)NC1	ZINC001085253797	923218261	/nfs/dbraw/zinc/21/82/61/923218261.db2.gz	GPMFCIFRXMQOEC-RCCFBDPRSA-N	1	0	354.454	1.601	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCCN(C)C2=O)c1	ZINC001085326081	923916642	/nfs/dbraw/zinc/91/66/42/923916642.db2.gz	VCJNIQXVGUKABT-KURKYZTESA-N	1	0	354.454	1.314	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnns2)nn1	ZINC001085358889	924175419	/nfs/dbraw/zinc/17/54/19/924175419.db2.gz	ZGSDDEAQZWNECZ-ZIAGYGMSSA-N	1	0	361.475	1.537	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(C)n(C)n2)nn1	ZINC001085357143	924185514	/nfs/dbraw/zinc/18/55/14/924185514.db2.gz	GMKNGFABWMWBDH-HZPDHXFCSA-N	1	0	357.462	1.337	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCc2cnn(CC)c2)nn1	ZINC001085357107	924185933	/nfs/dbraw/zinc/18/59/33/924185933.db2.gz	FCUZMGJYSCXACF-IAGOWNOFSA-N	1	0	371.489	1.554	20	30		FDEDRO
C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C[C@@H](C)N1CC#N	ZINC000826715413	924298745	/nfs/dbraw/zinc/29/87/45/924298745.db2.gz	LXOOXYHBGOQMAG-BRWVUGGUSA-N	1	0	363.506	1.115	20	30		FDEDRO
CON=C(C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1csc(N)n1	ZINC000822565489	945068321	/nfs/dbraw/zinc/06/83/21/945068321.db2.gz	JOYAEUQHJXTWTC-AWEZNQCLSA-N	1	0	373.482	1.714	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C(N)=O)c[nH]2)cc1	ZINC001085376467	924315846	/nfs/dbraw/zinc/31/58/46/924315846.db2.gz	FBEXMTNDLLPGJJ-IAGOWNOFSA-N	1	0	365.437	1.816	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC1	ZINC001066247053	924353382	/nfs/dbraw/zinc/35/33/82/924353382.db2.gz	FLSGQEPDTBESIJ-AOIWGVFYSA-N	1	0	365.518	1.805	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCN(CC)C2=O)nc1	ZINC001085398528	924448148	/nfs/dbraw/zinc/44/81/48/924448148.db2.gz	LKSVUKHLSCDRIC-JFIYKMOQSA-N	1	0	354.454	1.314	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCNC1=O	ZINC001085398580	924448333	/nfs/dbraw/zinc/44/83/33/924448333.db2.gz	NOKBJCSZKGQOJS-ZACQAIPSSA-N	1	0	370.453	1.003	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2[nH]cnc2CC)C1=O	ZINC001085409224	924524736	/nfs/dbraw/zinc/52/47/36/924524736.db2.gz	MPUMEKMKVYAYAO-BZUAXINKSA-N	1	0	359.474	1.390	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2cc(OC)ccc2OC)CC1	ZINC000735938190	924685193	/nfs/dbraw/zinc/68/51/93/924685193.db2.gz	UWBIHIOSXLWTBW-UHFFFAOYSA-N	1	0	360.410	1.531	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)NCC2(c3ccccc3)CC2)CC1	ZINC000735940177	924687607	/nfs/dbraw/zinc/68/76/07/924687607.db2.gz	MYBRFXPFQPDSCQ-UHFFFAOYSA-N	1	0	354.450	1.723	20	30		FDEDRO
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H]2CC[N@H+](CCOC)C2)c1	ZINC000736660055	924867614	/nfs/dbraw/zinc/86/76/14/924867614.db2.gz	VMIMWPSLHWHWDK-DLBZAZTESA-N	1	0	360.458	1.887	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1	ZINC000740736170	925419721	/nfs/dbraw/zinc/41/97/21/925419721.db2.gz	HPAYXQGQAPBWKM-UHFFFAOYSA-N	1	0	368.397	1.393	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)C[C@@H](NC(N)=O)c2ccccc2C)CC1	ZINC000740737127	925420803	/nfs/dbraw/zinc/42/08/03/925420803.db2.gz	BRMUBWNXQYUFRG-GOSISDBHSA-N	1	0	356.470	1.698	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2snnc2C)C1	ZINC001086089721	925938490	/nfs/dbraw/zinc/93/84/90/925938490.db2.gz	NBKXMOJLZXMBTA-BARDWOONSA-N	1	0	350.488	1.812	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)c2nnc(CC)[nH]2)C1	ZINC001086089823	925938579	/nfs/dbraw/zinc/93/85/79/925938579.db2.gz	RYZVSWONQDDSCY-RBZJEDDUSA-N	1	0	361.490	1.894	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CCNc3ccncc3C#N)C2)CC[N@@H+]1C	ZINC001066393368	925967880	/nfs/dbraw/zinc/96/78/80/925967880.db2.gz	HWXACIPRVVTBPR-VDZJLULYSA-N	1	0	355.486	1.756	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CCNc3ccc(C#N)nn3)C2)CC[N@@H+]1C	ZINC001066394058	925973887	/nfs/dbraw/zinc/97/38/87/925973887.db2.gz	POEKOTLKFPHXBI-BHYGNILZSA-N	1	0	356.474	1.729	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1	ZINC001086109804	926034131	/nfs/dbraw/zinc/03/41/31/926034131.db2.gz	FSURGAZFJAYJGZ-ZKNMIIFVSA-N	1	0	361.417	1.486	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cnn(CC)n2)C1	ZINC001086220768	926326256	/nfs/dbraw/zinc/32/62/56/926326256.db2.gz	PLKBDRLCOYQYBJ-MVJTYMMSSA-N	1	0	361.490	1.654	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CSCC(=O)N2CCCCC2)CC1	ZINC000743489355	926377212	/nfs/dbraw/zinc/37/72/12/926377212.db2.gz	GHTOXXSRGPUGTG-UHFFFAOYSA-N	1	0	351.516	1.336	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CN2c3ccccc3OCCC2=O)CC1	ZINC000743490843	926378421	/nfs/dbraw/zinc/37/84/21/926378421.db2.gz	WRXQNGIZOCESSO-UHFFFAOYSA-N	1	0	355.438	1.406	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CCC[NH+](C)C)CC1	ZINC001066459305	926418601	/nfs/dbraw/zinc/41/86/01/926418601.db2.gz	XTCWNIHGXBWBKD-KURKYZTESA-N	1	0	365.518	1.807	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1	ZINC000743895687	926496517	/nfs/dbraw/zinc/49/65/17/926496517.db2.gz	SBXCXWBDMOCQCK-CQSZACIVSA-N	1	0	361.417	1.767	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CCC)C2)cc1	ZINC000743987806	926541006	/nfs/dbraw/zinc/54/10/06/926541006.db2.gz	FJDDPKGICHRODW-INIZCTEOSA-N	1	0	357.454	1.827	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1	ZINC001086368941	926861116	/nfs/dbraw/zinc/86/11/16/926861116.db2.gz	GUTWRQGNAYCGDQ-TVFCKZIOSA-N	1	0	359.470	1.351	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2nnc(CC)n2C)C1	ZINC001086369231	926862398	/nfs/dbraw/zinc/86/23/98/926862398.db2.gz	XFZRRTZGFHNKJQ-FPCVCCKLSA-N	1	0	361.490	1.343	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)C1=O	ZINC001086372574	926872569	/nfs/dbraw/zinc/87/25/69/926872569.db2.gz	NGRLQFXBDXHPDI-RRQVMCLOSA-N	1	0	357.498	1.860	20	30		FDEDRO
C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001086501865	927687584	/nfs/dbraw/zinc/68/75/84/927687584.db2.gz	XQJBPRULQYQCAL-PCODUJHASA-N	1	0	356.470	1.662	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1	ZINC001086503231	927703187	/nfs/dbraw/zinc/70/31/87/927703187.db2.gz	JGHXBBYFTOKDDS-WNHJNPCNSA-N	1	0	371.481	1.751	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N2CCCCC2)C1	ZINC001086503366	927705279	/nfs/dbraw/zinc/70/52/79/927705279.db2.gz	PQITWJPXEMRWQL-DWRORGKVSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ncnn2CCC)C1	ZINC001086503735	927710906	/nfs/dbraw/zinc/71/09/06/927710906.db2.gz	KZDRADPPHRUWLO-OVWQWFNUSA-N	1	0	361.490	1.654	20	30		FDEDRO
N#CCn1cc(NC(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cn1	ZINC000746355836	927902837	/nfs/dbraw/zinc/90/28/37/927902837.db2.gz	OKLOCLHSOGZFKO-INIZCTEOSA-N	1	0	366.425	1.126	20	30		FDEDRO
O=C(NCCO)C1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1	ZINC000746449105	928027066	/nfs/dbraw/zinc/02/70/66/928027066.db2.gz	HNCINYWUVQMZLG-UHFFFAOYSA-N	1	0	370.371	1.757	20	30		FDEDRO
C#CC[N@H+](CC)CCC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC	ZINC000746457375	928033417	/nfs/dbraw/zinc/03/34/17/928033417.db2.gz	BPBBPXCHXOATCV-UHFFFAOYSA-N	1	0	366.439	1.913	20	30		FDEDRO
COCC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@]13C[C@H]1CCC3)C[C@H](C)O2	ZINC001111545993	928072747	/nfs/dbraw/zinc/07/27/47/928072747.db2.gz	UTGFFZCJQMZFSC-WAOWUJCRSA-N	1	0	360.498	1.908	20	30		FDEDRO
CC(C)(C)C(=O)Nc1ccc(/C=N/O)nc1-n1cc2c(n1)CC[C@H]([NH3+])C2	ZINC001168811096	928112599	/nfs/dbraw/zinc/11/25/99/928112599.db2.gz	HFZROKDQOVIODD-AHURVMIPSA-N	1	0	356.430	1.876	20	30		FDEDRO
C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2	ZINC001169020184	928242274	/nfs/dbraw/zinc/24/22/74/928242274.db2.gz	KEQCPGJQQABODQ-ZHALLVOQSA-N	1	0	364.490	1.615	20	30		FDEDRO
Cc1nc(-n2cncc2C[C@@H]([NH3+])CO)c(C#N)c(C)c1Br	ZINC001169073476	928262346	/nfs/dbraw/zinc/26/23/46/928262346.db2.gz	ISERHGAWNVGKLM-SNVBAGLBSA-N	1	0	350.220	1.380	20	30		FDEDRO
C#CCCN1CCC[C@H]([NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)C1=O	ZINC001169743179	928880505	/nfs/dbraw/zinc/88/05/05/928880505.db2.gz	GQPMDTOBLLLNNU-MOPGFXCFSA-N	1	0	353.466	1.895	20	30		FDEDRO
COC(=O)n1ncc(C#N)c1Nc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1	ZINC001169968381	928969475	/nfs/dbraw/zinc/96/94/75/928969475.db2.gz	QYYPGEFBTHSQRP-UHFFFAOYSA-N	1	0	374.357	1.961	20	30		FDEDRO
C=CC[C@@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ccncc1	ZINC000767018369	929047204	/nfs/dbraw/zinc/04/72/04/929047204.db2.gz	JYNSAFWLWJCEOE-MSOLQXFVSA-N	1	0	371.485	1.647	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCCOC2)[C@@H](n2ccnn2)C1	ZINC001129359562	929110647	/nfs/dbraw/zinc/11/06/47/929110647.db2.gz	HIOFLYZCSUYWBE-KURKYZTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C[C@@H](CNc1nccnc1C#N)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1	ZINC001108718169	929120161	/nfs/dbraw/zinc/12/01/61/929120161.db2.gz	LQYJWTBBFIBULT-UAGQMJEPSA-N	1	0	364.453	1.610	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]nc1[C@H]1CCOC1)C2	ZINC001109562808	929781464	/nfs/dbraw/zinc/78/14/64/929781464.db2.gz	BOSSRRLNIKIEJT-FSDCSDTHSA-N	1	0	360.458	1.451	20	30		FDEDRO
C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COC1CCOCC1	ZINC001109659058	930049870	/nfs/dbraw/zinc/04/98/70/930049870.db2.gz	QDTRZCRVCIKVDI-FPAYPSAMSA-N	1	0	366.502	1.621	20	30		FDEDRO
C=C(Cl)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2	ZINC001109732895	930270757	/nfs/dbraw/zinc/27/07/57/930270757.db2.gz	ARKMYTGTSBSPDD-YVSFHVDLSA-N	1	0	355.910	1.961	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCC1CC1	ZINC001109806222	930466997	/nfs/dbraw/zinc/46/69/97/930466997.db2.gz	RXFFLWHYFIVTEV-HCXYKTFWSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)C2	ZINC001109816076	930521821	/nfs/dbraw/zinc/52/18/21/930521821.db2.gz	FFZCNYAOPKHQHC-UGUYLWEFSA-N	1	0	357.520	1.248	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@](C)(c1ccccc1)[NH+](C)C)C2	ZINC001109966428	930926431	/nfs/dbraw/zinc/92/64/31/930926431.db2.gz	QEMPRCMQOXTPNB-AQCRLBJHSA-N	1	0	369.509	1.835	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)C2	ZINC001109973873	930953680	/nfs/dbraw/zinc/95/36/80/930953680.db2.gz	ZJDUFEDPHRGVQD-XFMPKHEZSA-N	1	0	356.430	1.107	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)NCc2ccc(OCCC)cc2)CC1	ZINC000772109700	931079931	/nfs/dbraw/zinc/07/99/31/931079931.db2.gz	GWFWQTIIXOUCQG-UHFFFAOYSA-N	1	0	372.465	1.980	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)N2CCc3sccc3C2)CC1	ZINC000772110650	931079954	/nfs/dbraw/zinc/07/99/54/931079954.db2.gz	VOZWSPXJOYYMJR-AWEZNQCLSA-N	1	0	360.479	1.910	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)N(CC(C)C)CC(F)(F)F)CC1	ZINC000772112821	931080725	/nfs/dbraw/zinc/08/07/25/931080725.db2.gz	GIPMSIXIHNDEFM-UHFFFAOYSA-N	1	0	362.392	1.922	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)NCc2ccc(COC)cc2)CC1	ZINC000772112530	931080859	/nfs/dbraw/zinc/08/08/59/931080859.db2.gz	FCTOBIGMOWAWSW-UHFFFAOYSA-N	1	0	358.438	1.338	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)N[C@@H](Cc2ccccc2)C(C)=O)CC1	ZINC000772113414	931080922	/nfs/dbraw/zinc/08/09/22/931080922.db2.gz	OBYVYAUIHPMUAR-IBGZPJMESA-N	1	0	370.449	1.191	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1	ZINC000772113684	931081112	/nfs/dbraw/zinc/08/11/12/931081112.db2.gz	QFCIURIOKVDCBT-UHFFFAOYSA-N	1	0	356.382	1.095	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)CCC)C2	ZINC001110019447	931120927	/nfs/dbraw/zinc/12/09/27/931120927.db2.gz	XYNURSPELABSAP-NCOADZHNSA-N	1	0	350.507	1.131	20	30		FDEDRO
Cc1cc(N2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCCC3)C2)c(C#N)cn1	ZINC001090433980	931141792	/nfs/dbraw/zinc/14/17/92/931141792.db2.gz	QBSPBAPZKXDPKJ-IEBWSBKVSA-N	1	0	371.485	1.194	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(=O)N1CCOCC1)C2	ZINC001110070144	931361054	/nfs/dbraw/zinc/36/10/54/931361054.db2.gz	MKHVPKZEKBVUDT-MHORFTMASA-N	1	0	363.502	1.702	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCS(C)(=O)=O)C2	ZINC001112544493	931420221	/nfs/dbraw/zinc/42/02/21/931420221.db2.gz	HRQRIRGCPVVFMM-HOCLYGCPSA-N	1	0	362.923	1.782	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CC(=O)NC1=O)C2	ZINC001112546868	931442225	/nfs/dbraw/zinc/44/22/25/931442225.db2.gz	IMUKQWHKEHFRPP-VCBZYWHSSA-N	1	0	362.474	1.111	20	30		FDEDRO
C[C@H](CO)[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C[C@H](C)O	ZINC000785537232	931443219	/nfs/dbraw/zinc/44/32/19/931443219.db2.gz	PGLALVSIHHGQBZ-IPYPFGDCSA-N	1	0	354.410	1.287	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(=O)n(CC)n1)C2	ZINC001112547926	931449668	/nfs/dbraw/zinc/44/96/68/931449668.db2.gz	YSXFEPOLMYZIMJ-KSSFIOAISA-N	1	0	364.877	1.848	20	30		FDEDRO
CCCn1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC#CCOC)C2)nn1	ZINC001112552935	931530581	/nfs/dbraw/zinc/53/05/81/931530581.db2.gz	WMVZJXQLJCBJTR-LPHOPBHVSA-N	1	0	359.474	1.170	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c[nH]nc1C1CC1)C2	ZINC001112555213	931555205	/nfs/dbraw/zinc/55/52/05/931555205.db2.gz	FYUSNHHPUOFSPW-JXFKEZNVSA-N	1	0	356.470	1.769	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C1CC1)C1CC1)C2	ZINC001112560164	931571704	/nfs/dbraw/zinc/57/17/04/931571704.db2.gz	IPQGYDKUKADGKQ-JXFKEZNVSA-N	1	0	358.486	1.281	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2	ZINC001112562800	931595764	/nfs/dbraw/zinc/59/57/64/931595764.db2.gz	OQVDDXDDAJUAPB-LIRRHRJNSA-N	1	0	370.457	1.216	20	30		FDEDRO
CC(F)(F)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1	ZINC001112570385	931650600	/nfs/dbraw/zinc/65/06/00/931650600.db2.gz	UJZPSIPTCBJZHA-UGSOOPFHSA-N	1	0	370.444	1.526	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CN(C(C)=O)CCO1)C2	ZINC001112572269	931666102	/nfs/dbraw/zinc/66/61/02/931666102.db2.gz	OJQFAFWUIUKKPU-JZXOWHBKSA-N	1	0	369.893	1.205	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c(C(F)(F)F)cnn1C)C2	ZINC001112572399	931666948	/nfs/dbraw/zinc/66/69/48/931666948.db2.gz	WHSJMAGEWRNTEH-LRDDRELGSA-N	1	0	354.376	1.904	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1nc3nccc(C)n3n1)C2	ZINC001112573061	931673283	/nfs/dbraw/zinc/67/32/83/931673283.db2.gz	IJFXUIBHSVGJGE-KXBFYZLASA-N	1	0	354.458	1.841	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)Cc1ccccc1)C2	ZINC001112573971	931679889	/nfs/dbraw/zinc/67/98/89/931679889.db2.gz	GWNZSKQBQAWUQC-UGKGYDQZSA-N	1	0	367.493	1.587	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cncc(C(N)=O)c1)C2	ZINC001112580214	931726018	/nfs/dbraw/zinc/72/60/18/931726018.db2.gz	COXGCBYBMQFUPL-YJBOKZPZSA-N	1	0	362.861	1.765	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1ccc[nH]1)C2	ZINC001112582642	931750765	/nfs/dbraw/zinc/75/07/65/931750765.db2.gz	HYYLCQZPHIXQTC-FTRWYGJKSA-N	1	0	358.486	1.466	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O)[NH+]1CCCCC1	ZINC001090439435	931759845	/nfs/dbraw/zinc/75/98/45/931759845.db2.gz	GZQIZZBNSHKUND-KZNAEPCWSA-N	1	0	371.485	1.129	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCN1C(=O)C(C)C)C2	ZINC001112580913	931762403	/nfs/dbraw/zinc/76/24/03/931762403.db2.gz	MNPDIIFDMLJISS-UEXGIBASSA-N	1	0	359.514	1.875	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nc(CC)no2)C1	ZINC001112589838	931807842	/nfs/dbraw/zinc/80/78/42/931807842.db2.gz	RZOZVZYEMGUHLB-DOXZYTNZSA-N	1	0	362.474	1.941	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)N1CCCC1=O)C2	ZINC001112590167	931834622	/nfs/dbraw/zinc/83/46/22/931834622.db2.gz	HQBZSPIGAPKBFH-DSKINZAPSA-N	1	0	359.514	1.875	20	30		FDEDRO
CCOc1cccnc1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#CCOC)C1	ZINC001112594082	931865915	/nfs/dbraw/zinc/86/59/15/931865915.db2.gz	JXPCQSNIXYGKDN-UWJYYQICSA-N	1	0	371.481	1.962	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc3nnn(C)c31)C2	ZINC001112594673	931886405	/nfs/dbraw/zinc/88/64/05/931886405.db2.gz	NZZYYMKSYGGIAX-YWZLYKJASA-N	1	0	351.454	1.824	20	30		FDEDRO
N#Cc1ccnc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)n1	ZINC001170067785	932180909	/nfs/dbraw/zinc/18/09/09/932180909.db2.gz	WTSLSHQSYIVLFI-UHFFFAOYSA-N	1	0	354.395	1.050	20	30		FDEDRO
S=C(NC[C@@H]1CCCO1)NN=C1CCOC[C@H]1C[NH+]1CCCCC1	ZINC000787150272	932197551	/nfs/dbraw/zinc/19/75/51/932197551.db2.gz	LZKRTESGHMSTCR-CABCVRRESA-N	1	0	354.520	1.508	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1	ZINC000787206275	932224043	/nfs/dbraw/zinc/22/40/43/932224043.db2.gz	QMUWQZPAUZJREG-KGLIPLIRSA-N	1	0	350.463	1.784	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCCO1	ZINC000787289403	932245165	/nfs/dbraw/zinc/24/51/65/932245165.db2.gz	HDMXJLAUEKVSJL-RBUKOAKNSA-N	1	0	369.465	1.196	20	30		FDEDRO
COc1ccc(CNC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1C#N	ZINC000746706006	932366217	/nfs/dbraw/zinc/36/62/17/932366217.db2.gz	UFUOPXCXKOOBKX-GJZGRUSLSA-N	1	0	360.458	1.865	20	30		FDEDRO
C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NCc2cc(C#N)ccc2F)C1	ZINC000787909723	932462029	/nfs/dbraw/zinc/46/20/29/932462029.db2.gz	MOBORQAJXIKSKW-OAHLLOKOSA-N	1	0	374.460	1.942	20	30		FDEDRO
COc1ccc(C[NH2+]Cc2cnc(N3CCN(C)CC3)nc2)cc1C#N	ZINC000746740761	932627936	/nfs/dbraw/zinc/62/79/36/932627936.db2.gz	HMKAXFDNQPNIFK-UHFFFAOYSA-N	1	0	352.442	1.398	20	30		FDEDRO
COC(=O)CC[NH+]1CCC(=NNC(=S)NCc2ccc(F)cc2)CC1	ZINC000788708604	932789805	/nfs/dbraw/zinc/78/98/05/932789805.db2.gz	AUWSNRZFLUBCLO-UHFFFAOYSA-N	1	0	366.462	1.805	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NC2CC[NH+](C(C)C)CC2)n1	ZINC000788849648	932837632	/nfs/dbraw/zinc/83/76/32/932837632.db2.gz	MPUSDXYIBIIBKR-UHFFFAOYSA-N	1	0	361.490	1.547	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NC2CC[NH+](C3CC3)CC2)n1	ZINC000788856145	932859749	/nfs/dbraw/zinc/85/97/49/932859749.db2.gz	XDKOQGMXGRMPPI-UHFFFAOYSA-N	1	0	359.474	1.301	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)n1	ZINC000789091495	932934002	/nfs/dbraw/zinc/93/40/02/932934002.db2.gz	WGVGFUUDXAPVSW-CRAIPNDOSA-N	1	0	359.474	1.157	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn(CCOC)nn2)C1	ZINC001086587076	933546298	/nfs/dbraw/zinc/54/62/98/933546298.db2.gz	BSFWXHBUSDIDJU-DLBZAZTESA-N	1	0	355.442	1.308	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@]2(C)CCNC(=O)C2)C1	ZINC001086594456	933867880	/nfs/dbraw/zinc/86/78/80/933867880.db2.gz	AEMUULPLPDFWLK-WAOWUJCRSA-N	1	0	353.466	1.510	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ncc(OC)cn2)C1	ZINC001086598329	933992384	/nfs/dbraw/zinc/99/23/84/933992384.db2.gz	BTCKBGMHKQMEKA-ZWKOTPCHSA-N	1	0	350.422	1.706	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc3nnnn3c2)C1	ZINC001086599338	934027921	/nfs/dbraw/zinc/02/79/21/934027921.db2.gz	JJPGIWIFRMTDRW-ZWKOTPCHSA-N	1	0	362.437	1.898	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCNC(=O)CC2)C1	ZINC001086601095	934120638	/nfs/dbraw/zinc/12/06/38/934120638.db2.gz	GGJFIABXZJFARM-CEXWTWQISA-N	1	0	353.466	1.510	20	30		FDEDRO
C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2cc(C#N)ccc2F)C1	ZINC000793910935	938337070	/nfs/dbraw/zinc/33/70/70/938337070.db2.gz	QMDRYFMNFYKXMA-CQSZACIVSA-N	1	0	374.460	1.940	20	30		FDEDRO
C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCc1cc(C#N)ccc1F	ZINC000793913973	938337653	/nfs/dbraw/zinc/33/76/53/938337653.db2.gz	RUBCGTPVXWBUET-KFWWJZLASA-N	1	0	374.460	1.796	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129417334	938409196	/nfs/dbraw/zinc/40/91/96/938409196.db2.gz	FLBQJVHJHXKBCV-UHOSZYNNSA-N	1	0	351.454	1.837	20	30		FDEDRO
O=C(CC#Cc1ccccc1)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1	ZINC001129453509	938420673	/nfs/dbraw/zinc/42/06/73/938420673.db2.gz	AQRVQUHHOUKUFM-MSOLQXFVSA-N	1	0	355.417	1.421	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)COc2cccc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129437663	938424737	/nfs/dbraw/zinc/42/47/37/938424737.db2.gz	CYXGLPGTVHIRLM-MOPGFXCFSA-N	1	0	369.469	1.973	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@@H]1n1ccnn1	ZINC001129482433	938434716	/nfs/dbraw/zinc/43/47/16/938434716.db2.gz	WQYJZEPFCGRABN-UAGQMJEPSA-N	1	0	361.490	1.647	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCCn2ccnc2)[C@@H](n2ccnn2)C1	ZINC001129484712	938439912	/nfs/dbraw/zinc/43/99/12/938439912.db2.gz	CPIWMNKAZQLMIO-SJORKVTESA-N	1	0	357.462	1.263	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2c(C)csc2=O)C1	ZINC001086623159	938448853	/nfs/dbraw/zinc/44/88/53/938448853.db2.gz	NSOOTJKEPFRLBX-DLBZAZTESA-N	1	0	357.479	1.988	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1	ZINC001086623847	938470878	/nfs/dbraw/zinc/47/08/78/938470878.db2.gz	AHNZLNDXEGGKHH-FUHWJXTLSA-N	1	0	350.422	1.335	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]CCc2ccccc2F)[C@@H](n2ccnn2)C1	ZINC001129667177	938478551	/nfs/dbraw/zinc/47/85/51/938478551.db2.gz	QHHUHHFFYGNTRG-MSOLQXFVSA-N	1	0	357.433	1.968	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(CO)cc2)[C@@H](n2ccnn2)C1	ZINC001129667338	938478658	/nfs/dbraw/zinc/47/86/58/938478658.db2.gz	TUVZOGJMHWNRHD-MSOLQXFVSA-N	1	0	355.442	1.278	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]CCCCc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129678040	938491092	/nfs/dbraw/zinc/49/10/92/938491092.db2.gz	SCTIGGOCILNJNB-UHOSZYNNSA-N	1	0	366.469	1.802	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H]([NH2+]CCOC(C)C)[C@@H](n2ccnn2)C1	ZINC001129733602	938496926	/nfs/dbraw/zinc/49/69/26/938496926.db2.gz	ZHROVOMAIQPYPF-SJORKVTESA-N	1	0	365.478	1.027	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1n1ccnn1	ZINC001129738099	938497811	/nfs/dbraw/zinc/49/78/11/938497811.db2.gz	ZUZWSMOIJFMGSS-MSOLQXFVSA-N	1	0	367.457	1.880	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H]([NH2+]CC/C=C\CCC)[C@@H](n2ccnn2)C1	ZINC001129795735	938509214	/nfs/dbraw/zinc/50/92/14/938509214.db2.gz	NTMAZMQKQYUMGG-MVFLZGCESA-N	1	0	361.490	1.693	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCOC2)[C@@H](n2ccnn2)C1	ZINC001129822309	938522320	/nfs/dbraw/zinc/52/23/20/938522320.db2.gz	PGSZNIKLADYRNJ-ZACQAIPSSA-N	1	0	359.474	1.096	20	30		FDEDRO
Cc1ccc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@@H]2n2ccnn2)c(C)n1	ZINC001129825002	938522902	/nfs/dbraw/zinc/52/29/02/938522902.db2.gz	JXWDDYKLTCMVMQ-MOPGFXCFSA-N	1	0	366.469	1.491	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H]([NH2+]CCC[C@H](C)O)[C@@H](n2ccnn2)C1	ZINC001129866712	938526094	/nfs/dbraw/zinc/52/60/94/938526094.db2.gz	HXIPCQYPMZPVEU-JQHSSLGASA-N	1	0	361.490	1.549	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(C)(C)C)cn2)C[C@@H]1n1ccnn1	ZINC001129849967	938527132	/nfs/dbraw/zinc/52/71/32/938527132.db2.gz	GFQOZZRRRUZWCS-MSOLQXFVSA-N	1	0	366.469	1.649	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H]([NH2+]CCOCC)[C@@H](n2ccnn2)C1)OCC	ZINC001129878759	938536009	/nfs/dbraw/zinc/53/60/09/938536009.db2.gz	DGXDROACFASGHN-IKGGRYGDSA-N	1	0	365.478	1.027	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCOc2ccc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001129878722	938536064	/nfs/dbraw/zinc/53/60/64/938536064.db2.gz	BHAVCRCERDDMRU-MSOLQXFVSA-N	1	0	369.469	1.892	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H]([NH2+]CCC[C@@H]2CCOC2)[C@@H](n2ccnn2)C1	ZINC001129879041	938536494	/nfs/dbraw/zinc/53/64/94/938536494.db2.gz	ORGAWLHKMSBALO-KURKYZTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@H](OCC)C(=C)C)C[C@@H]1n1ccnn1	ZINC001129879189	938536499	/nfs/dbraw/zinc/53/64/99/938536499.db2.gz	WNEVLHIPVLMREM-SQNIBIBYSA-N	1	0	361.490	1.957	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H]([NH2+]Cc2cnccc2C)[C@@H](n2ccnn2)C1	ZINC001129884363	938538817	/nfs/dbraw/zinc/53/88/17/938538817.db2.gz	LLGYVOGPQYOMSL-MSOLQXFVSA-N	1	0	354.458	1.880	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H]([NH2+]Cc2cccnc2C)[C@@H](n2ccnn2)C1	ZINC001129884739	938539201	/nfs/dbraw/zinc/53/92/01/938539201.db2.gz	TUCHIAMBTHLEGC-MSOLQXFVSA-N	1	0	354.458	1.880	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2c[nH]cn2)C[C@@H]1n1ccnn1	ZINC001129887531	938540175	/nfs/dbraw/zinc/54/01/75/938540175.db2.gz	DGQRAQKBWITRLV-OIISXLGYSA-N	1	0	357.462	1.330	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)n(C)n2)C[C@@H]1n1ccnn1	ZINC001129887841	938540695	/nfs/dbraw/zinc/54/06/95/938540695.db2.gz	UAVFTUIQPAMFAT-AEFFLSMTSA-N	1	0	369.473	1.511	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccn(C(F)F)n2)C[C@@H]1n1ccnn1	ZINC001129874623	938545922	/nfs/dbraw/zinc/54/59/22/938545922.db2.gz	KYVYOZFHOYABSV-KGLIPLIRSA-N	1	0	365.388	1.491	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2ccncn2)C[C@@H]1n1ccnn1	ZINC001129876756	938547291	/nfs/dbraw/zinc/54/72/91/938547291.db2.gz	YJYHBQOLCFJKBK-SJORKVTESA-N	1	0	355.446	1.009	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C/C=C/c2ccccc2F)C[C@@H]1n1ccnn1	ZINC001129906845	938548797	/nfs/dbraw/zinc/54/87/97/938548797.db2.gz	DCJXAALQOSQYIA-ZFYPLVIYSA-N	1	0	367.428	1.886	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H]([NH2+]C[C@H]3CCCCO3)[C@@H](n3ccnn3)C2)CCC1	ZINC001129894383	938555493	/nfs/dbraw/zinc/55/54/93/938555493.db2.gz	DLAONIBEQQEQFY-KURKYZTESA-N	1	0	371.485	1.382	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ncc(C)cc2OC)C[C@@H]1n1ccnn1	ZINC001129896224	938557786	/nfs/dbraw/zinc/55/77/86/938557786.db2.gz	UFBKEECXNIRDIF-CVEARBPZSA-N	1	0	370.457	1.612	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC/C=C/CC)[C@@H](n2ccnn2)C1	ZINC001129898363	938558878	/nfs/dbraw/zinc/55/88/78/938558878.db2.gz	RRMKKOLUWPHEFS-PEHGNSNYSA-N	1	0	370.501	1.074	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ncc(Cl)s2)C[C@@H]1n1ccnn1	ZINC001129936959	938564441	/nfs/dbraw/zinc/56/44/41/938564441.db2.gz	ZHCANLREMFGWPV-MNOVXSKESA-N	1	0	352.851	1.619	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2ccn(C(C)C)n2)C[C@@H]1n1ccnn1	ZINC001129943080	938564742	/nfs/dbraw/zinc/56/47/42/938564742.db2.gz	MHXSLGTUSCBBJN-SJORKVTESA-N	1	0	357.462	1.216	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccnnc2C)C[C@@H]1n1ccnn1	ZINC001129923751	938569738	/nfs/dbraw/zinc/56/97/38/938569738.db2.gz	UKULNMJTDJUPCF-XYPHTWIQSA-N	1	0	355.446	1.387	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)[nH]c3ccccc32)C[C@@H]1n1ccnn1	ZINC001129926822	938571215	/nfs/dbraw/zinc/57/12/15/938571215.db2.gz	FTLWGWTWIPBZFG-MSOLQXFVSA-N	1	0	362.437	1.746	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2nc(Cl)sc2C)C[C@@H]1n1ccnn1	ZINC001129928706	938571893	/nfs/dbraw/zinc/57/18/93/938571893.db2.gz	HDEHAZYFBGMVAR-NEPJUHHUSA-N	1	0	364.862	1.375	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2scnc2C(F)F)C[C@@H]1n1ccnn1	ZINC001129930932	938573349	/nfs/dbraw/zinc/57/33/49/938573349.db2.gz	ZJCNUMJBWRPWAC-MNOVXSKESA-N	1	0	366.397	1.351	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)[nH]c2=O)C[C@@H]1n1ccnn1	ZINC001129949002	938573900	/nfs/dbraw/zinc/57/39/00/938573900.db2.gz	KDDDLEAZLUCOHE-CABCVRRESA-N	1	0	356.430	1.227	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2coc(OC)n2)C[C@@H]1n1ccnn1	ZINC001129949284	938574387	/nfs/dbraw/zinc/57/43/87/938574387.db2.gz	WTYBXOQLEGYFGG-NFAWXSAZSA-N	1	0	360.418	1.285	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H]([NH2+]CCC(C)C)[C@@H](n2ccnn2)C1	ZINC001129954191	938575997	/nfs/dbraw/zinc/57/59/97/938575997.db2.gz	BIKSJCNWUKXMSY-AOIWGVFYSA-N	1	0	363.506	1.895	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]([NH2+]C[C@H](OCC)C2CC2)[C@@H](n2ccnn2)C1	ZINC001129959105	938577958	/nfs/dbraw/zinc/57/79/58/938577958.db2.gz	HLFUPTQCPVGTRW-IKGGRYGDSA-N	1	0	361.490	1.647	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCOC2)[C@@H](n2ccnn2)C1	ZINC001129972821	938591562	/nfs/dbraw/zinc/59/15/62/938591562.db2.gz	NQRSAOWSSGEDRC-KSZLIROESA-N	1	0	359.474	1.240	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccccc2CC)C[C@@H]1n1ccnn1	ZINC001129983002	938597877	/nfs/dbraw/zinc/59/78/77/938597877.db2.gz	MPJSXKPABJUKQZ-MOPGFXCFSA-N	1	0	369.469	1.698	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CCC)c2ccccn2)C[C@@H]1n1ccnn1	ZINC001129983250	938598023	/nfs/dbraw/zinc/59/80/23/938598023.db2.gz	UHIWADCNCUVVPS-JQHSSLGASA-N	1	0	352.442	1.232	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cncnc2)C[C@@H]1n1ccnn1	ZINC001129976663	938600997	/nfs/dbraw/zinc/60/09/97/938600997.db2.gz	UWQCCTFVWLUORN-UAGQMJEPSA-N	1	0	355.446	1.180	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(F)ccc(C)c2F)C[C@@H]1n1ccnn1	ZINC001129995756	938604335	/nfs/dbraw/zinc/60/43/35/938604335.db2.gz	HKAOFGDZVFAFSQ-CABCVRRESA-N	1	0	359.380	1.543	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H]([NH2+]Cc3cnn(C)c3)[C@@H](n3ccnn3)C2)CC1	ZINC001129999340	938606976	/nfs/dbraw/zinc/60/69/76/938606976.db2.gz	XPALEZDRAHHKTF-SJORKVTESA-N	1	0	369.473	1.300	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H](COC)OC)C[C@@H]1n1ccnn1	ZINC001130002601	938608853	/nfs/dbraw/zinc/60/88/53/938608853.db2.gz	JXAWNJIMGDKHMQ-IXDOHACOSA-N	1	0	365.478	1.027	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2cccc(F)c2)C[C@@H]1n1ccnn1	ZINC001130002439	938608887	/nfs/dbraw/zinc/60/88/87/938608887.db2.gz	BZVZVZHGTCJKKV-LZQZEXGQSA-N	1	0	369.444	1.976	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(Cl)cc2C)C[C@@H]1n1ccnn1	ZINC001129992196	938613929	/nfs/dbraw/zinc/61/39/29/938613929.db2.gz	QCUNALAZUDQLRQ-SJORKVTESA-N	1	0	357.845	1.919	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2csc(C)n2)C[C@@H]1n1ccnn1	ZINC001130027873	938629744	/nfs/dbraw/zinc/62/97/44/938629744.db2.gz	AFSNOKRYMWEEDH-CVEARBPZSA-N	1	0	360.487	1.593	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)C[C@H](C)O3)C[C@@H]1n1ccnn1	ZINC001130038305	938636318	/nfs/dbraw/zinc/63/63/18/938636318.db2.gz	WSHGHIMCGCGRGF-QGTPRVQTSA-N	1	0	365.437	1.280	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C2(CCOCC)CCCC2)C[C@@H]1n1ccnn1	ZINC001130057171	938647465	/nfs/dbraw/zinc/64/74/65/938647465.db2.gz	MDPZTXINJUBRAC-SJORKVTESA-N	1	0	359.474	1.240	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)CCN3C)C[C@@H]1n1ccnn1	ZINC001130074583	938668793	/nfs/dbraw/zinc/66/87/93/938668793.db2.gz	BDUVQQRRNGOABP-MJGOQNOKSA-N	1	0	366.469	1.502	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)[nH]nc2C(C)C)C[C@@H]1n1ccnn1	ZINC001130079401	938672475	/nfs/dbraw/zinc/67/24/75/938672475.db2.gz	IMDIUEGZCPTLTR-CABCVRRESA-N	1	0	355.446	1.112	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n3ccnn3)C2)nc1	ZINC001130091109	938676383	/nfs/dbraw/zinc/67/63/83/938676383.db2.gz	AYTCIVRZTPYDLP-DBLORFJXSA-N	1	0	356.817	1.062	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+][C@@H](C)CCC=C)[C@@H](n3ccnn3)C2)nc1	ZINC001130094861	938679727	/nfs/dbraw/zinc/67/97/27/938679727.db2.gz	SUWCISDHELTDFV-IPELMVKDSA-N	1	0	364.453	1.664	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnn3cc[nH]c23)C[C@@H]1n1ccnn1	ZINC001130102144	938684199	/nfs/dbraw/zinc/68/41/99/938684199.db2.gz	JCIPZEQRGYCZLZ-IMJJTQAJSA-N	1	0	368.445	1.264	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cccc(N(C)C)c2)C[C@@H]1n1ccnn1	ZINC001130102355	938684552	/nfs/dbraw/zinc/68/45/52/938684552.db2.gz	UHKWWDIRIYSGKK-MOPGFXCFSA-N	1	0	368.485	1.966	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]([NH2+]CC[C@@H](C)F)[C@@H](n2ccnn2)C1	ZINC001130109554	938688390	/nfs/dbraw/zinc/68/83/90/938688390.db2.gz	AOFAKWGSOWIPIT-LZQZEXGQSA-N	1	0	369.444	1.592	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001130110046	938688936	/nfs/dbraw/zinc/68/89/36/938688936.db2.gz	RAZQUMDNOWCPIJ-MSOLQXFVSA-N	1	0	357.433	1.968	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COc2ccc(CC)cc2)C[C@@H]1n1ccnn1	ZINC001130112499	938692108	/nfs/dbraw/zinc/69/21/08/938692108.db2.gz	CRYQPAQLOZTNHW-MOPGFXCFSA-N	1	0	367.453	1.284	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCOc2ccccc2F)C[C@@H]1n1ccnn1	ZINC001130112657	938692335	/nfs/dbraw/zinc/69/23/35/938692335.db2.gz	KUBATSCJZRUHQJ-SJORKVTESA-N	1	0	371.416	1.251	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1	ZINC001130132404	938707414	/nfs/dbraw/zinc/70/74/14/938707414.db2.gz	DHIXNSFNPFAKPB-QRVBRYPASA-N	1	0	369.469	1.047	20	30		FDEDRO
O=C(CC#Cc1ccccc1)N1C[C@@H]([NH2+]CC2CCC2)[C@@H](n2ccnn2)C1	ZINC001130133882	938708525	/nfs/dbraw/zinc/70/85/25/938708525.db2.gz	HWXLRVQHAUSOEE-UXHICEINSA-N	1	0	363.465	1.862	20	30		FDEDRO
C=C[C@@H](CC(=O)N1C[C@@H]([NH2+]CCOC)[C@@H](n2ccnn2)C1)c1ccccc1	ZINC001130134122	938708944	/nfs/dbraw/zinc/70/89/44/938708944.db2.gz	TVNLBADWABTWRY-UHOSZYNNSA-N	1	0	369.469	1.626	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCn2cc(C)cn2)C[C@@H]1n1ccnn1	ZINC001130140028	938712050	/nfs/dbraw/zinc/71/20/50/938712050.db2.gz	NLPIWGWWTISPKE-SJORKVTESA-N	1	0	357.462	1.181	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)cn2)C[C@@H]1n1ccnn1	ZINC001130143250	938714387	/nfs/dbraw/zinc/71/43/87/938714387.db2.gz	QFKQWUZVNABBLM-MSOLQXFVSA-N	1	0	369.473	1.361	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001130151244	938715662	/nfs/dbraw/zinc/71/56/62/938715662.db2.gz	KURZQUPDGLNLNY-JQHSSLGASA-N	1	0	355.442	1.411	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)CCOc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130158790	938720097	/nfs/dbraw/zinc/72/00/97/938720097.db2.gz	RKMLVYDYAJAHHK-UHOSZYNNSA-N	1	0	367.453	1.358	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccccc2F)n1	ZINC001130177864	938725559	/nfs/dbraw/zinc/72/55/59/938725559.db2.gz	YSEHMGTVGXBYRW-HOCLYGCPSA-N	1	0	371.416	1.359	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccccn2)[nH]1	ZINC001130181888	938729243	/nfs/dbraw/zinc/72/92/43/938729243.db2.gz	VYCABZDHWGIAAN-ZFWWWQNUSA-N	1	0	356.430	1.168	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)no2)[nH]1	ZINC001130186439	938732223	/nfs/dbraw/zinc/73/22/23/938732223.db2.gz	CZBIERZXNNSXLR-JSGCOSHPSA-N	1	0	360.418	1.069	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc[nH]2)n1	ZINC001130187004	938732631	/nfs/dbraw/zinc/73/26/31/938732631.db2.gz	RAIVXMXEABDDOZ-AAEUAGOBSA-N	1	0	364.837	1.277	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCC)[nH]1	ZINC001130190825	938736059	/nfs/dbraw/zinc/73/60/59/938736059.db2.gz	OZEAAYCSKVIDCU-KKUMJFAQSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)OCCCC)[nH]1	ZINC001130192932	938737309	/nfs/dbraw/zinc/73/73/09/938737309.db2.gz	BLKYMXRXFGIVED-KKUMJFAQSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](CC)OC)[nH]1	ZINC001130193186	938737678	/nfs/dbraw/zinc/73/76/78/938737678.db2.gz	LVFTXZQCVHWQNH-KKUMJFAQSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cncc(C)c2)[nH]1	ZINC001130195948	938739214	/nfs/dbraw/zinc/73/92/14/938739214.db2.gz	KDWPQGVPQQDPRA-HOTGVXAUSA-N	1	0	370.457	1.476	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc[nH]c2C)[nH]1	ZINC001130196172	938739566	/nfs/dbraw/zinc/73/95/66/938739566.db2.gz	VHZJFSMOWKWSHQ-GJZGRUSLSA-N	1	0	358.446	1.409	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)[nH]1	ZINC001130198224	938740207	/nfs/dbraw/zinc/74/02/07/938740207.db2.gz	ATKIRDTWGDZCPU-CEEVZKBLSA-N	1	0	359.474	1.505	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=Cc2ccc[nH]2)[nH]1	ZINC001130204625	938745412	/nfs/dbraw/zinc/74/54/12/938745412.db2.gz	ABIQIPHNKVRQSI-WHJWBVKISA-N	1	0	356.430	1.111	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=Cc2ccc[nH]2)[nH]1	ZINC001130204624	938745443	/nfs/dbraw/zinc/74/54/43/938745443.db2.gz	ABIQIPHNKVRQSI-LUNKNMTDSA-N	1	0	356.430	1.111	20	30		FDEDRO
C#CCCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCF)[nH]1	ZINC001130205336	938746174	/nfs/dbraw/zinc/74/61/74/938746174.db2.gz	WRRBGJPXBAZZBA-GJZGRUSLSA-N	1	0	365.453	1.436	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C(F)F)CC2)[nH]1	ZINC001130212747	938749559	/nfs/dbraw/zinc/74/95/59/938749559.db2.gz	ASJAAAZEAFVAKM-QWRGUYRKSA-N	1	0	355.389	1.114	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCCC3(CC3)C2)n1	ZINC001130212876	938750003	/nfs/dbraw/zinc/75/00/03/938750003.db2.gz	IUJJAYBYAZPZLA-PMPSAXMXSA-N	1	0	371.485	1.487	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)C(C)(C)C)n1	ZINC001130221044	938756398	/nfs/dbraw/zinc/75/63/98/938756398.db2.gz	QTWQLBOLPHTWLX-KKUMJFAQSA-N	1	0	361.490	1.589	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCC2(F)F)[nH]1	ZINC001130221174	938756743	/nfs/dbraw/zinc/75/67/43/938756743.db2.gz	YEUVQJLEAUEUEE-XQQFMLRXSA-N	1	0	369.416	1.504	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)C2CCC2)n1	ZINC001130221139	938756785	/nfs/dbraw/zinc/75/67/85/938756785.db2.gz	WGQAAVOVNXOVII-KBMXLJTQSA-N	1	0	359.474	1.343	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCCC23CC3)[nH]1	ZINC001130221162	938756796	/nfs/dbraw/zinc/75/67/96/938756796.db2.gz	XMYPNEDCZAJTEP-ZNMIVQPWSA-N	1	0	359.474	1.649	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2conc2C)[nH]1	ZINC001130232916	938765356	/nfs/dbraw/zinc/76/53/56/938765356.db2.gz	TYRBVNPSKPUAFG-JSGCOSHPSA-N	1	0	360.418	1.069	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](OC)C(C)C)[nH]1	ZINC001130234953	938766341	/nfs/dbraw/zinc/76/63/41/938766341.db2.gz	QPRTTWGPVKMSFW-OFQRWUPVSA-N	1	0	365.478	1.130	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(F)c(C)c2)n1	ZINC001130237752	938767170	/nfs/dbraw/zinc/76/71/70/938767170.db2.gz	CSBVANAEJMYGHB-HOCLYGCPSA-N	1	0	371.416	1.278	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)C(C)(F)F)[nH]1	ZINC001130237953	938767583	/nfs/dbraw/zinc/76/75/83/938767583.db2.gz	LUPYVLDCVONIDQ-AGIUHOORSA-N	1	0	371.432	1.750	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)c2ccco2)n1	ZINC001130238152	938767687	/nfs/dbraw/zinc/76/76/87/938767687.db2.gz	WBLCBWCXJKCQKU-YCPHGPKFSA-N	1	0	371.441	1.303	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2nccs2)[nH]1	ZINC001130244936	938770803	/nfs/dbraw/zinc/77/08/03/938770803.db2.gz	RTFYJZCOLHFNRV-RYUDHWBXSA-N	1	0	362.459	1.229	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H](C)C2CC2)[nH]1	ZINC001130251337	938774435	/nfs/dbraw/zinc/77/44/35/938774435.db2.gz	OOQBRYVJAQWHOT-BPUTZDHNSA-N	1	0	361.490	1.895	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2c(C)cccc2F)n1	ZINC001130253836	938775469	/nfs/dbraw/zinc/77/54/69/938775469.db2.gz	RSHXJUWXLWDLQH-ZFWWWQNUSA-N	1	0	371.416	1.278	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCCOCC)CC1	ZINC001130276742	938787783	/nfs/dbraw/zinc/78/77/83/938787783.db2.gz	NNQQTXOGEGGZLA-XLIONFOSSA-N	1	0	363.502	1.302	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)OCC2CC2)CC1	ZINC001130276957	938788325	/nfs/dbraw/zinc/78/83/25/938788325.db2.gz	WCXUYSJMFAVNQJ-BJZITVGISA-N	1	0	363.502	1.463	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](CC)OCC)CC1	ZINC001130279000	938789299	/nfs/dbraw/zinc/78/92/99/938789299.db2.gz	OXROPBMYDUYJNH-LMMKCTJWSA-N	1	0	365.518	1.853	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)CSC)CC1	ZINC001130285155	938789960	/nfs/dbraw/zinc/78/99/60/938789960.db2.gz	BWIVEEXPSCAGPB-LESCRADOSA-N	1	0	365.543	1.484	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCOC)CC1	ZINC001130290531	938795129	/nfs/dbraw/zinc/79/51/29/938795129.db2.gz	BQWPFHPNFXGCAA-APWZRJJASA-N	1	0	351.491	1.465	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCF)CC1	ZINC001130290693	938795396	/nfs/dbraw/zinc/79/53/96/938795396.db2.gz	KFTJSSBYASSNIT-APWZRJJASA-N	1	0	351.466	1.481	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCC=C)CC1	ZINC001130291150	938795932	/nfs/dbraw/zinc/79/59/32/938795932.db2.gz	ZFVLMUZAHBKREA-WDYCEAGBSA-N	1	0	361.486	1.076	20	30		FDEDRO
C#CCCCCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1	ZINC001130292770	938796464	/nfs/dbraw/zinc/79/64/64/938796464.db2.gz	AQOGYFWVISFWSD-XLIONFOSSA-N	1	0	363.502	1.038	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCC)CC1	ZINC001130313159	938807777	/nfs/dbraw/zinc/80/77/77/938807777.db2.gz	NWCKGUFXNKPRFI-WDYCEAGBSA-N	1	0	365.518	1.853	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C[C@@H]2C[C@H]2C2CC2)C1	ZINC001130401862	938836695	/nfs/dbraw/zinc/83/66/95/938836695.db2.gz	PMHAOKZELHDIJF-LNLFQRSKSA-N	1	0	370.497	1.901	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(=O)[nH]n2)C1	ZINC001086635684	938845784	/nfs/dbraw/zinc/84/57/84/938845784.db2.gz	AMFZTWWNLMJSFI-WDEREUQCSA-N	1	0	355.236	1.579	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130488487	938880738	/nfs/dbraw/zinc/88/07/38/938880738.db2.gz	XLWQCPGBOQLZIE-QILLFSRXSA-N	1	0	356.474	1.706	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)SC)C[C@H]1c1cn(C)cn1	ZINC001130502558	938885432	/nfs/dbraw/zinc/88/54/32/938885432.db2.gz	SEQFJQWIPNHIME-IJEWVQPXSA-N	1	0	352.504	1.258	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@H]1c1cn(C)cn1	ZINC001130502394	938885519	/nfs/dbraw/zinc/88/55/19/938885519.db2.gz	KNLIOZPWPZPMPW-YQQAZPJKSA-N	1	0	361.515	1.916	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)/C=C(\C)C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130513423	938893145	/nfs/dbraw/zinc/89/31/45/938893145.db2.gz	WHKNVZOZAIVSPS-FYSWROEESA-N	1	0	356.470	1.310	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCCCF)C1	ZINC001130573879	939874191	/nfs/dbraw/zinc/87/41/91/939874191.db2.gz	DLWCGUDVYYGYFW-KVSKMBFKSA-N	1	0	366.481	1.771	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2conc2C)C1	ZINC001130578072	939878144	/nfs/dbraw/zinc/87/81/44/939878144.db2.gz	CDXQSYUVSLYZCV-FUHWJXTLSA-N	1	0	355.442	1.604	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CC2OCCCO2)C[C@H]1c1cn(C)cn1	ZINC001130576001	939878667	/nfs/dbraw/zinc/87/86/67/939878667.db2.gz	FWOFFVPXIICWBC-DOTOQJQBSA-N	1	0	362.474	1.423	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnn(CC)n2)C[C@H]1c1cn(C)cn1	ZINC001130578523	939890891	/nfs/dbraw/zinc/89/08/91/939890891.db2.gz	QISGFEYPPRGUGS-WMLDXEAASA-N	1	0	357.462	1.196	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1c1cn(C)cn1	ZINC001130580410	939892807	/nfs/dbraw/zinc/89/28/07/939892807.db2.gz	DSQKJLWYIOGVAD-IJEWVQPXSA-N	1	0	357.462	1.101	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2[nH]cnc2C(C)(C)C)C[C@H]1c1cn(C)cn1	ZINC001130594433	939901546	/nfs/dbraw/zinc/90/15/46/939901546.db2.gz	HUTRABFJIPFDHO-GOEBONIOSA-N	1	0	368.485	1.662	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2[nH]cnc2C(C)(C)C)C[C@H]1c1cn(C)cn1	ZINC001130594558	939901728	/nfs/dbraw/zinc/90/17/28/939901728.db2.gz	OHGCWWUOCUVLND-GOEBONIOSA-N	1	0	368.485	1.662	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)n2ccnc2)C[C@H]1c1cn(C)cn1	ZINC001130615080	939912357	/nfs/dbraw/zinc/91/23/57/939912357.db2.gz	KCTIZSRUGVPHSL-QXAKKESOSA-N	1	0	368.485	1.421	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC2(F)F)C[C@H]1c1cn(C)cn1	ZINC001130615494	939917132	/nfs/dbraw/zinc/91/71/32/939917132.db2.gz	SEWJQOKUHCJNQE-OFQRWUPVSA-N	1	0	368.428	1.552	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cncn2C)C[C@H]1c1cn(C)cn1	ZINC001130623537	939921654	/nfs/dbraw/zinc/92/16/54/939921654.db2.gz	CTVCRCOQLPGCJI-HLLBOEOZSA-N	1	0	356.474	1.706	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc3nccn32)C[C@H]1c1cn(C)cn1	ZINC001130625883	939923324	/nfs/dbraw/zinc/92/33/24/939923324.db2.gz	ADUDDOXHNUKEBU-DOTOQJQBSA-N	1	0	362.437	1.289	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(=O)oc2C)C[C@H]1c1cn(C)cn1	ZINC001130625921	939923722	/nfs/dbraw/zinc/92/37/22/939923722.db2.gz	CKHHJWRGTHRDAI-DOTOQJQBSA-N	1	0	368.437	1.211	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ncc(OC)cn2)C[C@H]1c1cn(C)cn1	ZINC001130627036	939924658	/nfs/dbraw/zinc/92/46/58/939924658.db2.gz	XKTYYEMLQPYOFR-DOTOQJQBSA-N	1	0	370.457	1.383	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2occ3c2CCOC3)C[C@H]1c1cn(C)cn1	ZINC001130632509	939935944	/nfs/dbraw/zinc/93/59/44/939935944.db2.gz	CTJCZCMWGAPBRM-FUHWJXTLSA-N	1	0	368.437	1.307	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2coc(OC)n2)C[C@H]1c1cn(C)cn1	ZINC001130634990	939937210	/nfs/dbraw/zinc/93/72/10/939937210.db2.gz	CYWKQYKXKBEYDT-DZGCQCFKSA-N	1	0	359.430	1.581	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnc(C)n2C)C[C@H]1c1cn(C)cn1	ZINC001130652175	939946176	/nfs/dbraw/zinc/94/61/76/939946176.db2.gz	HSLCOADFQIUNLQ-DOTOQJQBSA-N	1	0	356.474	1.626	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#CCOC)C1	ZINC001130652474	939946877	/nfs/dbraw/zinc/94/68/77/939946877.db2.gz	WJZJKLHIPRPZTF-ZIFCJYIRSA-N	1	0	358.486	1.556	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCc2cnn(C)c2)C1	ZINC001130664725	939957700	/nfs/dbraw/zinc/95/77/00/939957700.db2.gz	ZLUJHMLAZMDFAS-PKOBYXMFSA-N	1	0	370.501	1.637	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnnn2C)C1	ZINC001130657026	939961108	/nfs/dbraw/zinc/96/11/08/939961108.db2.gz	VXVKYVKIBGYGQZ-UWWQBHOKSA-N	1	0	371.489	1.235	20	30		FDEDRO
CCC[C@@H]1C[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#CCOC)C1	ZINC001130667200	939962786	/nfs/dbraw/zinc/96/27/86/939962786.db2.gz	OBRBLNPLMIXDAF-VXIBKDFQSA-N	1	0	358.486	1.390	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCC[C@@H](C)O)C2)C1	ZINC001130667388	939969310	/nfs/dbraw/zinc/96/93/10/939969310.db2.gz	YRWMSHHHUPPRKT-SOLBZPMBSA-N	1	0	360.502	1.821	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2cccnc2)C[C@H]1c1cn(C)cn1	ZINC001130672104	939971231	/nfs/dbraw/zinc/97/12/31/939971231.db2.gz	GYPGFPRDCKJJST-HHXXYDBFSA-N	1	0	367.453	1.190	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ocnc2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130672808	939972094	/nfs/dbraw/zinc/97/20/94/939972094.db2.gz	ZZRQUKQYEKOLCI-GOEBONIOSA-N	1	0	353.426	1.507	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2csc3cncn32)C[C@H]1c1cn(C)cn1	ZINC001130685092	939974590	/nfs/dbraw/zinc/97/45/90/939974590.db2.gz	DEFKOQTUDFJQDN-DZGCQCFKSA-N	1	0	370.482	1.903	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]C[C@@H](C)CC)C2)nn1	ZINC001130687635	939977501	/nfs/dbraw/zinc/97/75/01/939977501.db2.gz	JKXUOPAQRNPCDS-YQQAZPJKSA-N	1	0	371.489	1.442	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)COC)C[C@H]1c1cn(C)cn1	ZINC001130706872	939988820	/nfs/dbraw/zinc/98/88/20/939988820.db2.gz	XTQNDUMVOZJQQH-SOLBZPMBSA-N	1	0	364.490	1.179	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cccnn2)C[C@H]1c1cn(C)cn1	ZINC001130701172	939996463	/nfs/dbraw/zinc/99/64/63/939996463.db2.gz	OHILJGYZPJHOTN-RLFYNMQTSA-N	1	0	354.458	1.763	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3n[nH]cc3C2)C[C@H]1c1cn(C)cn1	ZINC001130712651	939999566	/nfs/dbraw/zinc/99/95/66/939999566.db2.gz	FSFHNXZDWFRTSD-URLQWDBASA-N	1	0	368.485	1.408	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C3CC3)cn2)C[C@H]1c1cn(C)cn1	ZINC001130721663	940025679	/nfs/dbraw/zinc/02/56/79/940025679.db2.gz	NDLQHMJTTDVGPX-FXAWDEMLSA-N	1	0	363.465	1.914	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(F)cc2)C[C@H]1c1cn(C)cn1	ZINC001130721648	940025707	/nfs/dbraw/zinc/02/57/07/940025707.db2.gz	MJLQVRAJYQZGET-PKOBYXMFSA-N	1	0	354.429	1.709	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCCN(C)C(C)=O)C[C@H]1c1cn(C)cn1	ZINC001130723502	940028384	/nfs/dbraw/zinc/02/83/84/940028384.db2.gz	NDMGABSLTHRCDC-FUHWJXTLSA-N	1	0	361.490	1.139	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)nsc2C)C[C@H]1c1cn(C)cn1	ZINC001130734311	940034585	/nfs/dbraw/zinc/03/45/85/940034585.db2.gz	ODGSLTVXVZBYIF-GOEBONIOSA-N	1	0	357.483	1.715	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2cscn2)C[C@H]1c1cn(C)cn1	ZINC001130737016	940038233	/nfs/dbraw/zinc/03/82/33/940038233.db2.gz	UTBPCZWLVHILMU-DOTOQJQBSA-N	1	0	359.499	1.970	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C)c(C)o3)n2)O1	ZINC001130774841	940091309	/nfs/dbraw/zinc/09/13/09/940091309.db2.gz	DQMJLXGXVLKHQF-LSDHHAIUSA-N	1	0	371.441	1.778	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3=COCCC3)n2)O1	ZINC001130767249	940100817	/nfs/dbraw/zinc/10/08/17/940100817.db2.gz	FORDAXSFFDUQOW-LSDHHAIUSA-N	1	0	361.446	1.501	20	30		FDEDRO
O=C(C#CC1CC1)NCc1nc([C@H]2CC[C@@H](C[NH2+]C/C=C\Cl)O2)n[nH]1	ZINC001130785253	940120061	/nfs/dbraw/zinc/12/00/61/940120061.db2.gz	HPMAVNYLPQOKHU-SDQWQZCASA-N	1	0	363.849	1.397	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C=Cc3ccc[nH]3)n2)O1	ZINC001130776606	940125506	/nfs/dbraw/zinc/12/55/06/940125506.db2.gz	HNKSKHNSBYIDIZ-VKFONMJVSA-N	1	0	370.457	1.848	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](CC)SC)n2)O1	ZINC001130776619	940126099	/nfs/dbraw/zinc/12/60/99/940126099.db2.gz	IMVNCEPLXMYJDH-XQQFMLRXSA-N	1	0	353.492	1.558	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccoc3Cl)n2)O1	ZINC001130778182	940131105	/nfs/dbraw/zinc/13/11/05/940131105.db2.gz	KGTOGEBDDFOSEX-CMPLNLGQSA-N	1	0	363.805	1.424	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC(C)(C)O)n2)O1	ZINC001130780764	940135191	/nfs/dbraw/zinc/13/51/91/940135191.db2.gz	AXKSRANHMYPIHH-NWDGAFQWSA-N	1	0	371.869	1.144	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccoc3CC)n2)O1	ZINC001130783313	940143055	/nfs/dbraw/zinc/14/30/55/940143055.db2.gz	WQIBMGNJVFTWFB-SWLSCSKDSA-N	1	0	357.414	1.333	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(F)c[nH]3)n2)O1	ZINC001130794560	940146102	/nfs/dbraw/zinc/14/61/02/940146102.db2.gz	ZHYARSYCSUFEQJ-GXTWGEPZSA-N	1	0	360.393	1.035	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCCC34CC4)n2)O1	ZINC001130790307	940163406	/nfs/dbraw/zinc/16/34/06/940163406.db2.gz	SMFSYFYPWXSKJE-ARFHVFGLSA-N	1	0	371.485	1.834	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](CC)CC(F)F)n2)O1	ZINC001130790391	940164193	/nfs/dbraw/zinc/16/41/93/940164193.db2.gz	XZGWZWJMYAHMFQ-FRRDWIJNSA-N	1	0	369.416	1.545	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@]34C[C@H]3CCC4)n2)O1	ZINC001130792564	940170694	/nfs/dbraw/zinc/17/06/94/940170694.db2.gz	KMJAEVMOGMTPDR-NXEZDXNNSA-N	1	0	357.458	1.444	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(C)(C)CC=C)n2)O1	ZINC001130809185	940186138	/nfs/dbraw/zinc/18/61/38/940186138.db2.gz	LHOZCLJAWNUKFV-LSDHHAIUSA-N	1	0	359.474	1.856	20	30		FDEDRO
C=CCC(C)(C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCOC)O2)n[nH]1	ZINC001130809312	940187873	/nfs/dbraw/zinc/18/78/73/940187873.db2.gz	QVNQLTHKYAZBHH-UONOGXRCSA-N	1	0	365.478	1.479	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc[nH]c3CCC)n2)O1	ZINC001130799753	940194005	/nfs/dbraw/zinc/19/40/05/940194005.db2.gz	WKKXLASHBYIWSM-XJKSGUPXSA-N	1	0	370.457	1.458	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3CC4(CCC4)C3)n2)O1	ZINC001130802465	940197787	/nfs/dbraw/zinc/19/77/87/940197787.db2.gz	VNZUCTRNDHTXNI-JKSUJKDBSA-N	1	0	371.485	1.834	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC34CCC4)n2)O1	ZINC001130811733	940204526	/nfs/dbraw/zinc/20/45/26/940204526.db2.gz	GXFFTHUBXSTVAM-RRFJBIMHSA-N	1	0	357.458	1.444	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccncn3)n2)O1	ZINC001130811901	940205883	/nfs/dbraw/zinc/20/58/83/940205883.db2.gz	QZIBHVPTDRCUKN-DZGCQCFKSA-N	1	0	371.445	1.301	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC34CCCC4)n2)O1	ZINC001130813489	940212659	/nfs/dbraw/zinc/21/26/59/940212659.db2.gz	QJZSJBHSDCTMSL-ARFHVFGLSA-N	1	0	371.485	1.834	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@]3(C)CCOC3)n2)O1	ZINC001130813560	940212674	/nfs/dbraw/zinc/21/26/74/940212674.db2.gz	QYFLDRKUJBLUSE-PMUMKWKESA-N	1	0	363.462	1.233	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)Cc3ccco3)n2)O1	ZINC001130813783	940213449	/nfs/dbraw/zinc/21/34/49/940213449.db2.gz	XIVFLUMGKJGNQG-CWRNSKLLSA-N	1	0	371.441	1.336	20	30		FDEDRO
COCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#Cc2ccccc2)C1	ZINC001130882866	940279682	/nfs/dbraw/zinc/27/96/82/940279682.db2.gz	OYLDYDWSNZSPEO-QZTJIDSGSA-N	1	0	352.438	1.002	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1c1cncn1C	ZINC001130902750	940311790	/nfs/dbraw/zinc/31/17/90/940311790.db2.gz	CXHIHDLHBXIXCQ-QZTJIDSGSA-N	1	0	370.501	1.947	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)oc2C)C[C@H]1c1cncn1C	ZINC001130908840	940315494	/nfs/dbraw/zinc/31/54/94/940315494.db2.gz	OOPINEDRYDKFLQ-QZTJIDSGSA-N	1	0	370.453	1.478	20	30		FDEDRO
CC1CC(C[NH2+][C@@H]2CN(C(=O)CSCC#N)C[C@H]2c2cncn2C)C1	ZINC001130921030	940331346	/nfs/dbraw/zinc/33/13/46/940331346.db2.gz	TZHRBSNELWSTHL-QDIHITRGSA-N	1	0	361.515	1.607	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(=O)N[C@H](C)CC)C1	ZINC001130935674	940331509	/nfs/dbraw/zinc/33/15/09/940331509.db2.gz	GCZQJQCAJPWXQG-BZUAXINKSA-N	1	0	361.490	1.185	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CNC(=O)CCC)C[C@H]1c1cncn1C	ZINC001130928722	940337393	/nfs/dbraw/zinc/33/73/93/940337393.db2.gz	GXCQABKCOKPUAY-HZPDHXFCSA-N	1	0	361.490	1.187	20	30		FDEDRO
C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1	ZINC000807406641	940352575	/nfs/dbraw/zinc/35/25/75/940352575.db2.gz	YLMZXAFTKWHGIW-UHFFFAOYSA-N	1	0	353.426	1.045	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccccn2)C1	ZINC001130946422	940358127	/nfs/dbraw/zinc/35/81/27/940358127.db2.gz	UGQBVUYMDBGMCK-IAGOWNOFSA-N	1	0	355.442	1.102	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)/C=C/C(C)(C)C)C[C@H]1c1cncn1C	ZINC001130956811	940361768	/nfs/dbraw/zinc/36/17/68/940361768.db2.gz	FQTVZUKSZGCQOR-PIIXRYACSA-N	1	0	358.486	1.556	20	30		FDEDRO
C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC000807452796	940363470	/nfs/dbraw/zinc/36/34/70/940363470.db2.gz	GCFTYISZIFNKIY-YOEHRIQHSA-N	1	0	356.426	1.613	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2conc2CC)C1	ZINC001130977925	940408907	/nfs/dbraw/zinc/40/89/07/940408907.db2.gz	HMOOKTWSPJFVME-SJLPKXTDSA-N	1	0	369.469	1.858	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOCC(C)C)C1	ZINC001130977953	940409060	/nfs/dbraw/zinc/40/90/60/940409060.db2.gz	JOOQUUHSJVWMJV-QZTJIDSGSA-N	1	0	360.502	1.780	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H](NC(=O)c2ccccn2)C(C)C)CC1	ZINC000747405041	940413137	/nfs/dbraw/zinc/41/31/37/940413137.db2.gz	SNHLNUNJISLWHL-SFHVURJKSA-N	1	0	356.470	1.440	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cncs2)C1	ZINC001130991654	940414432	/nfs/dbraw/zinc/41/44/32/940414432.db2.gz	VVPAAAJXSQKWPQ-HZPDHXFCSA-N	1	0	357.483	1.620	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cncc(F)c2)C1	ZINC001130991674	940414670	/nfs/dbraw/zinc/41/46/70/940414670.db2.gz	WXPQZXYQZMTBKK-QZTJIDSGSA-N	1	0	369.444	1.698	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2OCC[C@H]2C(C)C)C[C@H]1c1cncn1C	ZINC001130994103	940416634	/nfs/dbraw/zinc/41/66/34/940416634.db2.gz	GPIDXPPQLLCBFB-FAJBIJEISA-N	1	0	358.486	1.389	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3cn[nH]c32)C[C@H]1c1cncn1C	ZINC001130994304	940417080	/nfs/dbraw/zinc/41/70/80/940417080.db2.gz	RXBWXBPXYVMQTH-GVDBMIGSSA-N	1	0	366.469	1.171	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)CCCC3)C[C@H]1c1cncn1C	ZINC001131001483	940427948	/nfs/dbraw/zinc/42/79/48/940427948.db2.gz	CEHVFXMLVAUXHH-HZPDHXFCSA-N	1	0	368.485	1.727	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccns2)C[C@H]1c1cncn1C	ZINC001130999233	940435785	/nfs/dbraw/zinc/43/57/85/940435785.db2.gz	LHGYVAYRWBZZPO-ZIAGYGMSSA-N	1	0	361.471	1.277	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2Cl)C[C@H]1c1cncn1C	ZINC001131017787	940438585	/nfs/dbraw/zinc/43/85/85/940438585.db2.gz	LPWOEMFMJNTBQS-ZIAGYGMSSA-N	1	0	360.849	1.028	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1c1cncn1C	ZINC001131015530	940448924	/nfs/dbraw/zinc/44/89/24/940448924.db2.gz	ZOEARQPNIBDJLN-HUUCEWRRSA-N	1	0	356.430	1.080	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C)CC(F)F)C[C@H]1c1cncn1C	ZINC001131030803	940450678	/nfs/dbraw/zinc/45/06/78/940450678.db2.gz	AEMDSOVJMWPLBM-RBSFLKMASA-N	1	0	370.444	1.798	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc3nccn3c2)C[C@H]1c1cncn1C	ZINC001131031141	940451104	/nfs/dbraw/zinc/45/11/04/940451104.db2.gz	IWSWTEKZHHDKFH-HZPDHXFCSA-N	1	0	365.441	1.237	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2nc3c(s2)CCC3)C[C@H]1c1cncn1C	ZINC001131031603	940461451	/nfs/dbraw/zinc/46/14/51/940461451.db2.gz	SRRVIJGLEIIPCS-UKRRQHHQSA-N	1	0	369.494	1.586	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc3nccn32)C[C@H]1c1cncn1C	ZINC001131029072	940464071	/nfs/dbraw/zinc/46/40/71/940464071.db2.gz	ZGDUCKXHHOUICS-HZPDHXFCSA-N	1	0	362.437	1.289	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)[nH]c2=O)C[C@H]1c1cncn1C	ZINC001131038164	940466150	/nfs/dbraw/zinc/46/61/50/940466150.db2.gz	CRYAHOJYTPLLMT-HZPDHXFCSA-N	1	0	367.453	1.359	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c(C)cnn2C)C[C@H]1c1cncn1C	ZINC001131046372	940475399	/nfs/dbraw/zinc/47/53/99/940475399.db2.gz	NHLOZFZSLZCPOH-HZPDHXFCSA-N	1	0	356.474	1.626	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnn(C)c2)C1	ZINC001131059654	940478788	/nfs/dbraw/zinc/47/87/88/940478788.db2.gz	CDHGUDZURWCXHX-IAGOWNOFSA-N	1	0	356.474	1.594	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)C(F)(F)F)C[C@H]1c1cncn1C	ZINC001131061580	940479661	/nfs/dbraw/zinc/47/96/61/940479661.db2.gz	GQJBYMYDMFEPIU-MGPQQGTHSA-N	1	0	356.392	1.916	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ncccc2F)C[C@H]1c1cncn1C	ZINC001131051698	940480311	/nfs/dbraw/zinc/48/03/11/940480311.db2.gz	UOEJEDMBTSVKSE-RHSMWYFYSA-N	1	0	355.417	1.104	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1c1cncn1C	ZINC001131054030	940480861	/nfs/dbraw/zinc/48/08/61/940480861.db2.gz	NZFOAPLYYKHRCP-ZIAGYGMSSA-N	1	0	350.413	1.763	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CCCC2CC2)C[C@H]1c1cncn1C	ZINC001131056137	940481958	/nfs/dbraw/zinc/48/19/58/940481958.db2.gz	ZUVCJDIYDXUNKX-QZTJIDSGSA-N	1	0	358.486	1.534	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(=O)NCC)C1	ZINC001131067056	940482585	/nfs/dbraw/zinc/48/25/85/940482585.db2.gz	QVPVQUGVSTWZJH-CLCXKQKWSA-N	1	0	361.490	1.043	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)co2)C[C@H]1c1cncn1C	ZINC001131071891	940484962	/nfs/dbraw/zinc/48/49/62/940484962.db2.gz	BJQCPAICPQVKEX-HUUCEWRRSA-N	1	0	371.441	1.276	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1	ZINC001131064264	940486484	/nfs/dbraw/zinc/48/64/84/940486484.db2.gz	DPCSYMMFDKPXFZ-ARFHVFGLSA-N	1	0	361.490	1.137	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccnc(N(C)C)c2)C[C@H]1c1cncn1C	ZINC001131082315	940488070	/nfs/dbraw/zinc/48/80/70/940488070.db2.gz	MKGCCAZDIGZDDO-IAGOWNOFSA-N	1	0	366.469	1.102	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)nc2OC)C[C@H]1c1cncn1C	ZINC001131083976	940489183	/nfs/dbraw/zinc/48/91/83/940489183.db2.gz	GTWVYZQFQICSCE-IAGOWNOFSA-N	1	0	367.453	1.353	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)CNC(C)=O)C[C@H]1c1cncn1C	ZINC001131089548	940494902	/nfs/dbraw/zinc/49/49/02/940494902.db2.gz	MXHONMOPVPHCMC-HZPDHXFCSA-N	1	0	361.490	1.043	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCCn2ccnc2C)C[C@H]1c1cncn1C	ZINC001131089725	940495040	/nfs/dbraw/zinc/49/50/40/940495040.db2.gz	WNWBTXBNNKGBTF-QZTJIDSGSA-N	1	0	370.501	1.866	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccncn2)C[C@H]1c1cncn1C	ZINC001131091226	940495549	/nfs/dbraw/zinc/49/55/49/940495549.db2.gz	AVTFPFPTECQFGT-ZMSDIMECSA-N	1	0	354.458	1.763	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ncccn2)C[C@H]1c1cncn1C	ZINC001131093773	940496530	/nfs/dbraw/zinc/49/65/30/940496530.db2.gz	JIHKONCXYXGPPX-ARFHVFGLSA-N	1	0	354.458	1.763	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+][C@@H](C)COC)C2)cn1	ZINC001131113156	940499314	/nfs/dbraw/zinc/49/93/14/940499314.db2.gz	VVWDJDPZNBMKOD-BMGDILEWSA-N	1	0	367.453	1.029	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1c1cncn1C	ZINC001131101038	940500337	/nfs/dbraw/zinc/50/03/37/940500337.db2.gz	JLCTVVOSYQBKEM-HUUCEWRRSA-N	1	0	353.898	1.398	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cccn2)C[C@H]1c1cncn1C	ZINC001131103641	940501130	/nfs/dbraw/zinc/50/11/30/940501130.db2.gz	UNVFTYVQHWPFQK-GVDBMIGSSA-N	1	0	354.458	1.175	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)COCCCOC)C[C@H]1c1cncn1C	ZINC001131105741	940501628	/nfs/dbraw/zinc/50/16/28/940501628.db2.gz	GJBXDDFPRNFKQS-IAGOWNOFSA-N	1	0	364.490	1.323	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cn(CC)cn2)C[C@H]1c1cncn1C	ZINC001131108082	940502447	/nfs/dbraw/zinc/50/24/47/940502447.db2.gz	ITEQNIZQSVYLPR-HZPDHXFCSA-N	1	0	356.474	1.801	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3nccn3c2)C[C@H]1c1cncn1C	ZINC001131108628	940502856	/nfs/dbraw/zinc/50/28/56/940502856.db2.gz	ZLLKXBMESUCITL-IAGOWNOFSA-N	1	0	362.437	1.289	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCCF)C2)nc1	ZINC001131110134	940503370	/nfs/dbraw/zinc/50/33/70/940503370.db2.gz	DTNFBMMKACLBMC-NVXWUHKLSA-N	1	0	355.417	1.354	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)noc2CC)C[C@H]1c1cncn1C	ZINC001131121485	940506604	/nfs/dbraw/zinc/50/66/04/940506604.db2.gz	VUAAAXISDXBJNN-HUUCEWRRSA-N	1	0	355.442	1.500	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)noc2CC)C[C@H]1c1cncn1C	ZINC001131121555	940506827	/nfs/dbraw/zinc/50/68/27/940506827.db2.gz	ZMRXKRHHBZDIJP-HUUCEWRRSA-N	1	0	355.442	1.500	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COc2cccc(F)c2)C[C@H]1c1cncn1C	ZINC001131123511	940506985	/nfs/dbraw/zinc/50/69/85/940506985.db2.gz	IFDAGEQINRSWLC-QZTJIDSGSA-N	1	0	370.428	1.546	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)nc2C)C[C@H]1c1cncn1C	ZINC001131125979	940507945	/nfs/dbraw/zinc/50/79/45/940507945.db2.gz	QIJKKICEPJXZMN-QZTJIDSGSA-N	1	0	351.454	1.653	20	30		FDEDRO
Cn1cncc1[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1[NH2+]CCF	ZINC001131127893	940509670	/nfs/dbraw/zinc/50/96/70/940509670.db2.gz	KJWUITMNTSFFMY-QZTJIDSGSA-N	1	0	354.429	1.715	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOCC=C)C1	ZINC001131136323	940513324	/nfs/dbraw/zinc/51/33/24/940513324.db2.gz	HHLLAJQVCWWERB-IAGOWNOFSA-N	1	0	362.474	1.099	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@@H](CC)OC)C1	ZINC001131136534	940513607	/nfs/dbraw/zinc/51/36/07/940513607.db2.gz	RMNLGPBLLMMDFU-BRWVUGGUSA-N	1	0	364.490	1.322	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1	ZINC000808057748	940514240	/nfs/dbraw/zinc/51/42/40/940514240.db2.gz	CWYIWAHXUXNLOU-KGLIPLIRSA-N	1	0	366.259	1.573	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1C1CCOCC1	ZINC001131242535	940537858	/nfs/dbraw/zinc/53/78/58/940537858.db2.gz	SYPFPSPHRVAMSP-ZWKOTPCHSA-N	1	0	357.454	1.835	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ncoc3CC)C2)C1=O	ZINC001086662796	940539757	/nfs/dbraw/zinc/53/97/57/940539757.db2.gz	IUQPFKGCDHPSFT-RRFJBIMHSA-N	1	0	360.458	1.512	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C(C)(C)F)C1	ZINC001131297887	940545063	/nfs/dbraw/zinc/54/50/63/940545063.db2.gz	NZJGIMJCBUEFFM-KFWWJZLASA-N	1	0	353.438	1.807	20	30		FDEDRO
CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CSCC#N)C1	ZINC001131300774	940546632	/nfs/dbraw/zinc/54/66/32/940546632.db2.gz	DIOFLGREVJFPME-KFWWJZLASA-N	1	0	366.487	1.149	20	30		FDEDRO
C#CCC1(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[N@@H+](CC5CC5)C[C@H]43)C2)CCC1	ZINC001131310180	940549790	/nfs/dbraw/zinc/54/97/90/940549790.db2.gz	KLLXVTWJQWJWPJ-KURKYZTESA-N	1	0	371.481	1.696	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCCC)CC1	ZINC001131427414	940566992	/nfs/dbraw/zinc/56/69/92/940566992.db2.gz	ZVRFDGSHEKLYIC-XLIONFOSSA-N	1	0	365.518	1.855	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(CC)CC)CC1	ZINC001131427321	940567035	/nfs/dbraw/zinc/56/70/35/940567035.db2.gz	WASRHFKEEFJMNQ-MJGOQNOKSA-N	1	0	363.502	1.158	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOC)CC1	ZINC001131442208	940591294	/nfs/dbraw/zinc/59/12/94/940591294.db2.gz	LDAINXNRDQBTAN-JQHSSLGASA-N	1	0	354.491	1.600	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1=O	ZINC001086668841	940595979	/nfs/dbraw/zinc/59/59/79/940595979.db2.gz	ARQNQCZUDTWAES-NUEKZKHPSA-N	1	0	355.442	1.161	20	30		FDEDRO
C=CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](CCCC)C(N)=O)CC1	ZINC001131448943	940602790	/nfs/dbraw/zinc/60/27/90/940602790.db2.gz	YBNOMZJWVYVFDV-LMMKCTJWSA-N	1	0	365.518	1.982	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCC=C)CC1	ZINC001131448968	940603484	/nfs/dbraw/zinc/60/34/84/940603484.db2.gz	ZKJSEHQIBDENGF-SUMDDJOVSA-N	1	0	361.486	1.076	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2nccnc2N)CC1	ZINC001131454382	940608945	/nfs/dbraw/zinc/60/89/45/940608945.db2.gz	YSELLHDCJUCJSF-WBVHZDCISA-N	1	0	359.474	1.624	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCNC(=O)C2)CC1	ZINC001131467473	940623599	/nfs/dbraw/zinc/62/35/99/940623599.db2.gz	ARPSDGLZZDZZSS-SCTDSRPQSA-N	1	0	363.502	1.465	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H](C)SC)CC1	ZINC001131472856	940627605	/nfs/dbraw/zinc/62/76/05/940627605.db2.gz	AYUVQJVSIPGQTK-WDYCEAGBSA-N	1	0	368.543	1.764	20	30		FDEDRO
COC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1	ZINC001131478810	940634610	/nfs/dbraw/zinc/63/46/10/940634610.db2.gz	LQNRNLCAEWWCNO-VHSSKADRSA-N	1	0	360.458	1.521	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[C@@H](C)OC)CC1	ZINC001131478798	940634718	/nfs/dbraw/zinc/63/47/18/940634718.db2.gz	LAOMUAPLJOWZBC-POAQFYNOSA-N	1	0	366.502	1.437	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C/C=C/Cl)CC1	ZINC001131502913	940653234	/nfs/dbraw/zinc/65/32/34/940653234.db2.gz	NCYJXMZDJVBGMQ-NHIJPGKPSA-N	1	0	354.878	1.763	20	30		FDEDRO
C=C(C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NC(C)C)CC1	ZINC001131510345	940658865	/nfs/dbraw/zinc/65/88/65/940658865.db2.gz	BZUKVZLJAVEYSD-XLIONFOSSA-N	1	0	365.518	1.853	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccnn2C(F)F)CC1	ZINC001131506479	940668325	/nfs/dbraw/zinc/66/83/25/940668325.db2.gz	AHCMWARXHSYFGD-ZBFHGGJFSA-N	1	0	366.412	1.901	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2nccn2)CC1	ZINC001131506758	940669241	/nfs/dbraw/zinc/66/92/41/940669241.db2.gz	NSPSOEGTBZXEEX-SUMDDJOVSA-N	1	0	361.490	1.619	20	30		FDEDRO
CCCN(CC[NH+]1CCCCCC1)C(=O)C(=O)Nc1cnn(CC#N)c1	ZINC000808958941	940693231	/nfs/dbraw/zinc/69/32/31/940693231.db2.gz	QUAIIRPRAIHPIW-UHFFFAOYSA-N	1	0	360.462	1.460	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc3n[nH]nc3n2)CC1	ZINC001131511983	940693729	/nfs/dbraw/zinc/69/37/29/940693729.db2.gz	GVAGUNQHKJFSSB-PBHICJAKSA-N	1	0	370.457	1.528	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc3n(n2)CCC3)CC1	ZINC001131512164	940694340	/nfs/dbraw/zinc/69/43/40/940694340.db2.gz	QOAFXJFIJBPXGB-MJGOQNOKSA-N	1	0	356.470	1.452	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn(C)ccc2=O)CC1	ZINC001131527858	940696996	/nfs/dbraw/zinc/69/69/96/940696996.db2.gz	CFFNTLOQBVDCPH-MJGOQNOKSA-N	1	0	359.470	1.561	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCc3cncn3C2)CC1	ZINC001131522332	940705425	/nfs/dbraw/zinc/70/54/25/940705425.db2.gz	CNWSUHCDTVRCFV-RLLQIKCJSA-N	1	0	370.497	1.455	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCn3nccc32)CC1	ZINC001131522504	940705998	/nfs/dbraw/zinc/70/59/98/940705998.db2.gz	KTELJIXZSVNJIT-NSHGMRRFSA-N	1	0	370.497	1.770	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COc2cnn(C)c2)CC1	ZINC001131550193	940738738	/nfs/dbraw/zinc/73/87/38/940738738.db2.gz	NSOUYJBZECULPK-MJGOQNOKSA-N	1	0	362.474	1.361	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(CF)CCOCC2)CC1	ZINC001131570673	940746675	/nfs/dbraw/zinc/74/66/75/940746675.db2.gz	NEAWVQYLWXVFFO-MSOLQXFVSA-N	1	0	366.477	1.762	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)OCCOC)CC1	ZINC001131577744	940754624	/nfs/dbraw/zinc/75/46/24/940754624.db2.gz	FDUWHSHUXSZZMA-UHOSZYNNSA-N	1	0	368.518	1.990	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(=O)N2CC[C@H](C)C2)CC1	ZINC001131590553	940760196	/nfs/dbraw/zinc/76/01/96/940760196.db2.gz	JBEQBUFWCSZTGY-JQHSSLGASA-N	1	0	363.502	1.417	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn3c2CCCC3)CC1	ZINC001131590739	940760884	/nfs/dbraw/zinc/76/08/84/940760884.db2.gz	QTZWLSNAZJHLRX-QUCCMNQESA-N	1	0	370.497	1.842	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn(C)nc2Cl)CC1	ZINC001131593057	940764315	/nfs/dbraw/zinc/76/43/15/940764315.db2.gz	KILAYBOPQMPEBT-CVEARBPZSA-N	1	0	364.877	1.696	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+][C@@H](C)COC)CC2)cn1	ZINC001131596906	940780554	/nfs/dbraw/zinc/78/05/54/940780554.db2.gz	ALQMZIRZQIJKET-BEVDRBHNSA-N	1	0	371.481	1.697	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCc2cccnc2)CC1	ZINC001131599517	940782530	/nfs/dbraw/zinc/78/25/30/940782530.db2.gz	CPPLQUXPPSDOFK-CTNGQTDRSA-N	1	0	371.481	1.607	20	30		FDEDRO
C=CCCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCOCC)CC1	ZINC001131610409	940790309	/nfs/dbraw/zinc/79/03/09/940790309.db2.gz	PIBKKXVOGPHGNE-QUCCMNQESA-N	1	0	368.518	1.991	20	30		FDEDRO
C=CCCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCC[C@@H](C)O)CC1	ZINC001131610595	940790735	/nfs/dbraw/zinc/79/07/35/940790735.db2.gz	YEWXPHASEMGCAO-POAQFYNOSA-N	1	0	368.518	1.726	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)N2CCOCC2)CC1	ZINC001131615338	940794021	/nfs/dbraw/zinc/79/40/21/940794021.db2.gz	FHKXWGSYRRHSFL-UHOSZYNNSA-N	1	0	365.518	1.269	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](CC(C)C)C(N)=O)CC1	ZINC001131620037	940796023	/nfs/dbraw/zinc/79/60/23/940796023.db2.gz	BCAXFFGGHCUYQY-KSZLIROESA-N	1	0	363.502	1.143	20	30		FDEDRO
O=C(NCC[NH2+]CC#Cc1ccc(Cl)cc1)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC001131641579	940808259	/nfs/dbraw/zinc/80/82/59/940808259.db2.gz	QLMPTZDYZQJSEH-RYQLBKOJSA-N	1	0	362.857	1.449	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1C#N	ZINC000809504426	940845896	/nfs/dbraw/zinc/84/58/96/940845896.db2.gz	LKCRVAOHMDWPHZ-CZUORRHYSA-N	1	0	358.442	1.124	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)C[C@@H]1C	ZINC000809504000	940846143	/nfs/dbraw/zinc/84/61/43/940846143.db2.gz	CUGSKNNUSBGMCW-YOEHRIQHSA-N	1	0	372.469	1.514	20	30		FDEDRO
CN1CCOC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001086675273	940910412	/nfs/dbraw/zinc/91/04/12/940910412.db2.gz	WQNCVLHUHWIPKX-IPMKNSEASA-N	1	0	356.470	1.263	20	30		FDEDRO
Cn1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)cc1=O	ZINC001086676029	940923991	/nfs/dbraw/zinc/92/39/91/940923991.db2.gz	NSTXCILPRFDPNP-DZGCQCFKSA-N	1	0	353.426	1.273	20	30		FDEDRO
N#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc4n3CCCC4)C2)[nH]1	ZINC001086676094	940924529	/nfs/dbraw/zinc/92/45/29/940924529.db2.gz	UTBGWMCXTHFXKV-UONOGXRCSA-N	1	0	367.457	1.502	20	30		FDEDRO
CCc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)s1	ZINC001086676208	940932601	/nfs/dbraw/zinc/93/26/01/940932601.db2.gz	GEIOYZWQUCOCHD-NWDGAFQWSA-N	1	0	358.471	1.989	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1)c1nnnn1C1CC1	ZINC001086676238	940932903	/nfs/dbraw/zinc/93/29/03/940932903.db2.gz	JNYVTNCBUQANMS-RWMBFGLXSA-N	1	0	368.445	1.457	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1)c1nnnn1C1CC1	ZINC001086676497	940948899	/nfs/dbraw/zinc/94/88/99/940948899.db2.gz	GRVQZHKQRDLKIY-MBNYWOFBSA-N	1	0	368.445	1.457	20	30		FDEDRO
CCn1cc(CC[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)cn1	ZINC001086676681	940949168	/nfs/dbraw/zinc/94/91/68/940949168.db2.gz	PSJNQWSXPAXTFF-WMLDXEAASA-N	1	0	354.458	1.834	20	30		FDEDRO
COc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)ccn1	ZINC001086676820	940949456	/nfs/dbraw/zinc/94/94/56/940949456.db2.gz	WNZCPMDUDNTMJM-XJKSGUPXSA-N	1	0	353.426	1.978	20	30		FDEDRO
CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000810438262	940993560	/nfs/dbraw/zinc/99/35/60/940993560.db2.gz	QPLOWXXNBYQMSO-CYBMUJFWSA-N	1	0	364.421	1.903	20	30		FDEDRO
Cn1ncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)c1N	ZINC001086679429	941015818	/nfs/dbraw/zinc/01/58/18/941015818.db2.gz	RATASPJKQDLPRQ-SWLSCSKDSA-N	1	0	370.432	1.701	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3COC(=O)N3)C2)c(F)c1	ZINC001086685941	941071885	/nfs/dbraw/zinc/07/18/85/941071885.db2.gz	BSPCTXACYNDQPM-JGGQBBKZSA-N	1	0	360.389	1.180	20	30		FDEDRO
Cn1cnc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)n1	ZINC001086688320	941080687	/nfs/dbraw/zinc/08/06/87/941080687.db2.gz	LIZMBDHXFYQQMJ-JKSUJKDBSA-N	1	0	368.441	1.406	20	30		FDEDRO
CCn1nncc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2C#N)C1	ZINC001086690236	941099158	/nfs/dbraw/zinc/09/91/58/941099158.db2.gz	AXQVHBJVOOXZFX-SUMWQHHRSA-N	1	0	370.432	1.997	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ncc[nH]3)C2)cc1C#N	ZINC001086691530	941110833	/nfs/dbraw/zinc/11/08/33/941110833.db2.gz	PJYLOXMVXXXFFB-GOEBONIOSA-N	1	0	353.426	1.978	20	30		FDEDRO
CSC1(CNc2cccc(S(N)(=O)=O)c2C#N)CC[NH+](C)CC1	ZINC000811854418	941168647	/nfs/dbraw/zinc/16/86/47/941168647.db2.gz	YWEDKTOZWFGPEK-UHFFFAOYSA-N	1	0	354.501	1.445	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1	ZINC000812331256	941193370	/nfs/dbraw/zinc/19/33/70/941193370.db2.gz	DRZZWDJPYAVTDN-WBVHZDCISA-N	1	0	366.469	1.561	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N[C@@H]2CN(c3ncccc3C#N)C[C@H]2O)CCCCC1	ZINC001090507081	941196032	/nfs/dbraw/zinc/19/60/32/941196032.db2.gz	SQWOFBWAYZCUJM-IAGOWNOFSA-N	1	0	371.485	1.131	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)CC1	ZINC000747816748	941271761	/nfs/dbraw/zinc/27/17/61/941271761.db2.gz	UJEGVCMVCPSSHF-GOSISDBHSA-N	1	0	368.481	1.475	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CCC(=O)NC(=O)Nc2ccccc2)CC1	ZINC000747820232	941274644	/nfs/dbraw/zinc/27/46/44/941274644.db2.gz	PQUGYKCFOOLKDN-UHFFFAOYSA-N	1	0	356.426	1.186	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]1CCC=CO1	ZINC000805503101	941471771	/nfs/dbraw/zinc/47/17/71/941471771.db2.gz	SQEJNSRVGBCIDD-SFHVURJKSA-N	1	0	370.453	1.257	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccc(Cl)cc1F	ZINC001134054357	941531017	/nfs/dbraw/zinc/53/10/17/941531017.db2.gz	GWGPLYDPMUPCQX-DOMZBBRYSA-N	1	0	369.824	1.715	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)Nc1cccc(C)c1C	ZINC001134061846	941540302	/nfs/dbraw/zinc/54/03/02/941540302.db2.gz	GOWQJNDASWNJFN-JZXOWHBKSA-N	1	0	359.470	1.927	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(CC)C1CCCCC1	ZINC001134061709	941540484	/nfs/dbraw/zinc/54/04/84/941540484.db2.gz	FKJUUMFXHWNREC-SJORKVTESA-N	1	0	351.491	1.465	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ncccc2C)C1	ZINC001086720745	941619523	/nfs/dbraw/zinc/61/95/23/941619523.db2.gz	LWSFTPZFDIMGAJ-NSHGMRRFSA-N	1	0	354.498	1.862	20	30		FDEDRO
C#CCOc1cccc(NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)c1	ZINC000814635219	941690376	/nfs/dbraw/zinc/69/03/76/941690376.db2.gz	SODUWZHGNMMEMK-UHFFFAOYSA-N	1	0	372.469	1.812	20	30		FDEDRO
CC(C)NS(=O)(=O)c1ccc(N=NC(C)C2CC[NH+](C)CC2)nc1	ZINC000814802529	941723326	/nfs/dbraw/zinc/72/33/26/941723326.db2.gz	LPBAMQYHVFANBB-UHFFFAOYSA-N	1	0	353.492	1.898	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1	ZINC000747981129	941727602	/nfs/dbraw/zinc/72/76/02/941727602.db2.gz	IVPKTVGXLKEZOV-CALCHBBNSA-N	1	0	362.518	1.525	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1c(C)n[nH]c1C	ZINC001135067822	941883841	/nfs/dbraw/zinc/88/38/41/941883841.db2.gz	NSLHNRFKVSDUFL-YOEHRIQHSA-N	1	0	363.462	1.042	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NCC1CCCCC1	ZINC001135145172	941929064	/nfs/dbraw/zinc/92/90/64/941929064.db2.gz	ADQZDXIWKWJSFE-SZMVWBNQSA-N	1	0	365.518	1.758	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(N(C)C(=O)OCC)cc1	ZINC000815860657	941995997	/nfs/dbraw/zinc/99/59/97/941995997.db2.gz	VKMATBOMXJSNBU-UHFFFAOYSA-N	1	0	374.441	1.289	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(-c2nc(C)co2)c1	ZINC000815861047	941997528	/nfs/dbraw/zinc/99/75/28/941997528.db2.gz	OAGUINUXBDRILH-UHFFFAOYSA-N	1	0	354.410	1.660	20	30		FDEDRO
COC(=O)C[C@@](C)([NH2+]CCC(=O)N(C)CCC#N)c1cccc(OC)c1	ZINC001170813361	942070335	/nfs/dbraw/zinc/07/03/35/942070335.db2.gz	LCYCEVQWKSQOBN-LJQANCHMSA-N	1	0	361.442	1.825	20	30		FDEDRO
N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1	ZINC001135504699	942132518	/nfs/dbraw/zinc/13/25/18/942132518.db2.gz	HECSBISIGMAJNL-ZWKOTPCHSA-N	1	0	350.422	1.289	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCOCCOC	ZINC001170851851	942453982	/nfs/dbraw/zinc/45/39/82/942453982.db2.gz	BNFPAVCWDBEPKG-KURKYZTESA-N	1	0	356.507	1.895	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCNC3=O)C2)c1	ZINC001086777014	942474635	/nfs/dbraw/zinc/47/46/35/942474635.db2.gz	YWNPIKVHUFLVRN-IMJJTQAJSA-N	1	0	358.417	1.208	20	30		FDEDRO
Cn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)[nH]c1=O	ZINC001086794394	942535193	/nfs/dbraw/zinc/53/51/93/942535193.db2.gz	QXQLLTLRJDUIPI-XJKSGUPXSA-N	1	0	353.426	1.686	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCCCC(=O)N3)C2)c1	ZINC001086800344	942702239	/nfs/dbraw/zinc/70/22/39/942702239.db2.gz	GWXGLDHSQUIAFE-OTWHNJEPSA-N	1	0	368.481	1.992	20	30		FDEDRO
CN(C[C@H]1CCC[N@@H+]1C)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O	ZINC000817375053	942727102	/nfs/dbraw/zinc/72/71/02/942727102.db2.gz	XVKRGWXJESTPEE-QGZVFWFLSA-N	1	0	355.442	1.306	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C(N)=O)[nH]3)C2)cc1	ZINC001086804273	942759227	/nfs/dbraw/zinc/75/92/27/942759227.db2.gz	BUZYUWJGTGEUHA-JKSUJKDBSA-N	1	0	365.437	1.674	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC)nn2)C1	ZINC001086806277	942803091	/nfs/dbraw/zinc/80/30/91/942803091.db2.gz	LSJAQVACEQQJMQ-ABFRBSLYSA-N	1	0	360.458	1.451	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCn2nc(C)cc2C)C1	ZINC001086807462	942830596	/nfs/dbraw/zinc/83/05/96/942830596.db2.gz	BJNSTHFGTFYOKI-MANSERQUSA-N	1	0	360.502	1.966	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1	ZINC000817786275	942977234	/nfs/dbraw/zinc/97/72/34/942977234.db2.gz	VEWIFLCMZZPMGM-JKSUJKDBSA-N	1	0	351.491	1.951	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)c1	ZINC000817844845	943008830	/nfs/dbraw/zinc/00/88/30/943008830.db2.gz	YZEZTQQDCWFRKY-UHFFFAOYSA-N	1	0	353.466	1.761	20	30		FDEDRO
Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@@H]1CC[C@H](C#N)C1	ZINC000818231459	943202125	/nfs/dbraw/zinc/20/21/25/943202125.db2.gz	XAIDDTTWJOOIAQ-XQQFMLRXSA-N	1	0	356.879	1.986	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C[NH2+]C2CC2)cc1	ZINC000818490531	943256660	/nfs/dbraw/zinc/25/66/60/943256660.db2.gz	DVIIUWSZCKJDMC-XDJHFCHBSA-N	1	0	350.444	1.190	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@H]1Cc2cc(Br)ccc2O1	ZINC000818584762	943295613	/nfs/dbraw/zinc/29/56/13/943295613.db2.gz	XOTLPJKIAJVVNH-OAHLLOKOSA-N	1	0	351.244	1.824	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CNC(=O)c1cc(-c2ccccc2)on1	ZINC000818589359	943297187	/nfs/dbraw/zinc/29/71/87/943297187.db2.gz	YUFJYXKIOMJSKL-UHFFFAOYSA-N	1	0	354.410	1.143	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)CN1CCc2cc(OC)c(OC)cc2C1	ZINC000818609384	943330631	/nfs/dbraw/zinc/33/06/31/943330631.db2.gz	SGPDZRKHFHRKGY-UHFFFAOYSA-N	1	0	359.470	1.133	20	30		FDEDRO
CS(=O)(=O)NC1(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)CCCCC1	ZINC000818946275	943357125	/nfs/dbraw/zinc/35/71/25/943357125.db2.gz	IUEJOAWBZWRKHD-INIZCTEOSA-N	1	0	351.472	1.433	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCc3cnn(CC)c3)C2)nn1	ZINC001086823774	943370153	/nfs/dbraw/zinc/37/01/53/943370153.db2.gz	VFOHEGCTLAALSJ-DOTOQJQBSA-N	1	0	371.489	1.411	20	30		FDEDRO
Cc1cc2ncn(C[C@H](O)C[NH2+]CCNc3ncccc3C#N)c2cc1C	ZINC000818976112	943390927	/nfs/dbraw/zinc/39/09/27/943390927.db2.gz	UFCKPJJCFPJYLR-QGZVFWFLSA-N	1	0	364.453	1.982	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]CC[S@](=O)Cc2ccccc2)cc1	ZINC000819043825	943392481	/nfs/dbraw/zinc/39/24/81/943392481.db2.gz	VSKQLTLPCKRRPE-BVZFJXPGSA-N	1	0	358.463	1.836	20	30		FDEDRO
Cc1ccc(OC[C@H](O)C[NH2+]CCNC(=O)C2N=CC=CC2=O)c(C)c1	ZINC000819048731	943394419	/nfs/dbraw/zinc/39/44/19/943394419.db2.gz	AOVMGKNQZKSWKQ-RAJOGRCSSA-N	1	0	359.426	1.159	20	30		FDEDRO
O=C(NCC[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)C1N=CC=CC1=O	ZINC000819049451	943394734	/nfs/dbraw/zinc/39/47/34/943394734.db2.gz	KBLYVNUAFGTXSB-PQDJCJPTSA-N	1	0	369.343	1.855	20	30		FDEDRO
O=C(NCC[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)C1N=CC=CC1=O	ZINC000819050886	943395352	/nfs/dbraw/zinc/39/53/52/943395352.db2.gz	XNQGCKCFRMTPLO-DQHOPXMZSA-N	1	0	353.781	1.629	20	30		FDEDRO
C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+]C[C@@H](O)c1ccc(C#N)cc1	ZINC000819080174	943411780	/nfs/dbraw/zinc/41/17/80/943411780.db2.gz	DLMSNITUPXYQBO-YLJYHZDGSA-N	1	0	365.481	1.787	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnns3)C2)nn1	ZINC001086824806	943428263	/nfs/dbraw/zinc/42/82/63/943428263.db2.gz	AGTAGESDJJRETJ-QWHCGFSZSA-N	1	0	361.475	1.394	20	30		FDEDRO
CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1	ZINC000819068453	943428384	/nfs/dbraw/zinc/42/83/84/943428384.db2.gz	PZQFUDHGOXSMLU-HZPDHXFCSA-N	1	0	359.386	1.623	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	ZINC000819121200	943449460	/nfs/dbraw/zinc/44/94/60/943449460.db2.gz	SVFMSNCBQVXEJH-CQSZACIVSA-N	1	0	351.397	1.986	20	30		FDEDRO
CCNS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)cc1	ZINC000819167916	943457935	/nfs/dbraw/zinc/45/79/35/943457935.db2.gz	KBWFGIKZAZBOEM-GOSISDBHSA-N	1	0	359.451	1.680	20	30		FDEDRO
C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)NC(=O)OC(C)(C)C	ZINC000819274859	943522445	/nfs/dbraw/zinc/52/24/45/943522445.db2.gz	MWLFRJNGQFENKR-ZDUSSCGKSA-N	1	0	367.471	1.835	20	30		FDEDRO
C[C@@H]([NH2+]C[C@H](O)CN(C)CCC#N)c1ccc(N2CCCNC2=O)cc1	ZINC000819325857	943527982	/nfs/dbraw/zinc/52/79/82/943527982.db2.gz	KJOCBLDMJJIYGM-QAPCUYQASA-N	1	0	359.474	1.463	20	30		FDEDRO
CCNS(=O)(=O)c1cccc(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)c1	ZINC000819361841	943555762	/nfs/dbraw/zinc/55/57/62/943555762.db2.gz	UMNLJLGVWRVDOG-GOSISDBHSA-N	1	0	359.451	1.680	20	30		FDEDRO
C[N@H+]1CC=C(CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1	ZINC000819465821	943603383	/nfs/dbraw/zinc/60/33/83/943603383.db2.gz	CUIZPJACBLMHMS-HNNXBMFYSA-N	1	0	350.463	1.952	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1	ZINC000110520300	943912121	/nfs/dbraw/zinc/91/21/21/943912121.db2.gz	VMWTXGAYHAASIT-HNNXBMFYSA-N	1	0	351.491	1.951	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)s1	ZINC000820265823	943986551	/nfs/dbraw/zinc/98/65/51/943986551.db2.gz	OXAAYYRQCQCLRJ-STQMWFEESA-N	1	0	371.528	1.354	20	30		FDEDRO
C#C[C@H](NC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccc(F)cc1	ZINC000820495085	944071870	/nfs/dbraw/zinc/07/18/70/944071870.db2.gz	MSYIBFSQFXESRV-OALUTQOASA-N	1	0	358.461	1.921	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1)c1ccc(Cl)cc1	ZINC000820553514	944095644	/nfs/dbraw/zinc/09/56/44/944095644.db2.gz	UCQGBMLFRJMACK-GOEBONIOSA-N	1	0	363.845	1.761	20	30		FDEDRO
C#C[C@@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)c1ccc(Br)cc1	ZINC000820615305	944119938	/nfs/dbraw/zinc/11/99/38/944119938.db2.gz	BFUJWWNJTMHIJZ-ZBFHGGJFSA-N	1	0	368.275	1.735	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N[C@@H]1CN(Cc2cccc3c2OCCO3)C[C@H]1O	ZINC001195566624	971076095	/nfs/dbraw/zinc/07/60/95/971076095.db2.gz	AFTPIRPWUFMKIU-DJIMGWMZSA-N	1	0	360.454	1.721	20	30		FDEDRO
CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(CCC#N)c3cc(C)cc(C)c3)C[C@@H]2C1	ZINC000821328298	944420453	/nfs/dbraw/zinc/42/04/53/944420453.db2.gz	HTYITJQPFFDEIY-KDURUIRLSA-N	1	0	368.481	1.960	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)s1	ZINC000821528042	944540690	/nfs/dbraw/zinc/54/06/90/944540690.db2.gz	PMFRRHUOTMWVFE-OLZOCXBDSA-N	1	0	371.528	1.306	20	30		FDEDRO
C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCCC[NH+](C)C	ZINC000821698152	944609499	/nfs/dbraw/zinc/60/94/99/944609499.db2.gz	SJDBSDMNHQCBQS-FQEVSTJZSA-N	1	0	371.437	1.646	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@H]1C	ZINC001090744346	946141863	/nfs/dbraw/zinc/14/18/63/946141863.db2.gz	CPLWMCLUKVVMSQ-GHMZBOCLSA-N	1	0	355.895	1.951	20	30		FDEDRO
N#CCSCCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1	ZINC000822815583	946194343	/nfs/dbraw/zinc/19/43/43/946194343.db2.gz	UDJFSLNTDDFUOW-UHFFFAOYSA-N	1	0	361.450	1.775	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCc2ccc(OC)cc2)C1	ZINC001195850653	971251572	/nfs/dbraw/zinc/25/15/72/971251572.db2.gz	MXYTULKEDGNCFT-RTBURBONSA-N	1	0	362.470	1.382	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1	ZINC001090790276	946681546	/nfs/dbraw/zinc/68/15/46/946681546.db2.gz	TYJGIRONXDABBZ-CRAIPNDOSA-N	1	0	370.501	1.944	20	30		FDEDRO
C#CCCCCCC(=O)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573282966	946701765	/nfs/dbraw/zinc/70/17/65/946701765.db2.gz	PGQBBEXTGWOQEU-HNNXBMFYSA-N	1	0	367.457	1.788	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1	ZINC001090795555	946771888	/nfs/dbraw/zinc/77/18/88/946771888.db2.gz	GLUHFELAQYXRJI-GDBMZVCRSA-N	1	0	356.474	1.554	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C	ZINC001573285585	946783636	/nfs/dbraw/zinc/78/36/36/946783636.db2.gz	ZQNAJTNGXLOKTH-YOEHRIQHSA-N	1	0	352.442	1.749	20	30		FDEDRO
C#CCCCC(=O)N1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1C	ZINC001573285655	946785828	/nfs/dbraw/zinc/78/58/28/946785828.db2.gz	ZZDWXFHJMAXEBU-UKRRQHHQSA-N	1	0	370.432	1.888	20	30		FDEDRO
C#CCOc1ccc(C[NH2+]C2CCN(CCN3CCOCC3)CC2)cc1	ZINC000824925858	946879115	/nfs/dbraw/zinc/87/91/15/946879115.db2.gz	GKRHFLSKNRDANW-UHFFFAOYSA-N	1	0	357.498	1.585	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)nc1	ZINC001573291235	946916500	/nfs/dbraw/zinc/91/65/00/946916500.db2.gz	ZBDPNCOKVHAXOA-IYBDPMFKSA-N	1	0	373.420	1.294	20	30		FDEDRO
C=C(Br)C[NH2+][C@H](C)[C@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573292207	946929022	/nfs/dbraw/zinc/92/90/22/946929022.db2.gz	PTKMRYFWOMFLLJ-BDAKNGLRSA-N	1	0	368.239	1.200	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CC1	ZINC001573557958	946933257	/nfs/dbraw/zinc/93/32/57/946933257.db2.gz	CXXJFLYYWIONCF-MEDUHNTESA-N	1	0	371.420	1.492	20	30		FDEDRO
CCc1noc(C[C@@]2(O)CCC[N@H+](C[C@H](O)c3ccc(C#N)cc3)C2)n1	ZINC000856675420	971300861	/nfs/dbraw/zinc/30/08/61/971300861.db2.gz	YCEBUKUGFOKROG-LPHOPBHVSA-N	1	0	356.426	1.607	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1	ZINC001573560247	946949090	/nfs/dbraw/zinc/94/90/90/946949090.db2.gz	AQVWUUFWAMSQKU-LBPRGKRZSA-N	1	0	371.420	1.588	20	30		FDEDRO
CC[C@@H](C(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1C)[NH+](CC)CC	ZINC001090815952	946952364	/nfs/dbraw/zinc/95/23/64/946952364.db2.gz	OMNCJDDISGNHNX-XYPHTWIQSA-N	1	0	358.490	1.718	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H]2C1	ZINC001573293704	946964462	/nfs/dbraw/zinc/96/44/62/946964462.db2.gz	HFGSDCRRFVQCJD-XJKSGUPXSA-N	1	0	355.446	1.697	20	30		FDEDRO
C=C(C)CCC(=O)NC[C@@H]1CN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CCO1	ZINC001573293738	946965773	/nfs/dbraw/zinc/96/57/73/946965773.db2.gz	IHUQBDPADJRSKK-CQSZACIVSA-N	1	0	371.445	1.248	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@](C)(C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573563810	946986208	/nfs/dbraw/zinc/98/62/08/946986208.db2.gz	COUSGDNGBJPUHM-FZKQIMNGSA-N	1	0	353.430	1.355	20	30		FDEDRO
C=C(Cl)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1	ZINC001573294673	946994004	/nfs/dbraw/zinc/99/40/04/946994004.db2.gz	GEYCDNVOBLWPQD-NWDGAFQWSA-N	1	0	363.853	1.778	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)C1	ZINC001573565407	947008936	/nfs/dbraw/zinc/00/89/36/947008936.db2.gz	QTHOBXBTPNBOPZ-NWDGAFQWSA-N	1	0	359.459	1.368	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2CN([C@H](C)C(=O)NC(CC)CC)C[C@H]2O)CCC1	ZINC001195940700	971311416	/nfs/dbraw/zinc/31/14/16/971311416.db2.gz	ZZOMWJAPENSCBS-DJIMGWMZSA-N	1	0	365.518	1.587	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1	ZINC001573565714	947012460	/nfs/dbraw/zinc/01/24/60/947012460.db2.gz	UXQWQFBBFKEWOJ-LLVKDONJSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1	ZINC001573565674	947014488	/nfs/dbraw/zinc/01/44/88/947014488.db2.gz	UDZRTLABYYZWBC-BDJLRTHQSA-N	1	0	359.459	1.416	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573565755	947016015	/nfs/dbraw/zinc/01/60/15/947016015.db2.gz	VJYLYSDUQFAJBR-WCQYABFASA-N	1	0	357.393	1.198	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573566542	947026142	/nfs/dbraw/zinc/02/61/42/947026142.db2.gz	DHDQQHHMSGWIQD-BBRMVZONSA-N	1	0	353.430	1.449	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)Cn1cnc2c(C)cccc2c1=O	ZINC000121436285	971314594	/nfs/dbraw/zinc/31/45/94/971314594.db2.gz	VMMQHESVWGEIGR-INIZCTEOSA-N	1	0	355.438	1.982	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1CC	ZINC001573296949	947056054	/nfs/dbraw/zinc/05/60/54/947056054.db2.gz	CDMSPAGORMIKSK-VXGBXAGGSA-N	1	0	363.853	1.778	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C(C)(C)C	ZINC001573297343	947062139	/nfs/dbraw/zinc/06/21/39/947062139.db2.gz	GFMJJMGTOPNSIL-LBPRGKRZSA-N	1	0	351.842	1.681	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1	ZINC001573568176	947067542	/nfs/dbraw/zinc/06/75/42/947067542.db2.gz	YXTHDEKCYPOHSR-AAEUAGOBSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@](C)(C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CC1	ZINC001573569542	947072836	/nfs/dbraw/zinc/07/28/36/947072836.db2.gz	AWJJGGXDWYVSNW-QFYYESIMSA-N	1	0	359.459	1.462	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)ccc1F	ZINC000825197237	947076345	/nfs/dbraw/zinc/07/63/45/947076345.db2.gz	VJGOIUVDJRLUOS-WCQYABFASA-N	1	0	355.435	1.147	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F	ZINC001573569785	947076533	/nfs/dbraw/zinc/07/65/33/947076533.db2.gz	FJVAUMWWRQOCTL-SMDDNHRTSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@](C)(C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CC1	ZINC001573569807	947080110	/nfs/dbraw/zinc/08/01/10/947080110.db2.gz	FQCKJNXEUYHCNP-ZMZPIMSZSA-N	1	0	371.420	1.540	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@](C)(C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CC1	ZINC001573570030	947080456	/nfs/dbraw/zinc/08/04/56/947080456.db2.gz	IPNMXMAPWOIOFH-VOJFVSQTSA-N	1	0	371.420	1.540	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C[C@@H]2C1	ZINC001573570341	947086310	/nfs/dbraw/zinc/08/63/10/947086310.db2.gz	MVCQMDSLWNTDRY-DFBGVHRSSA-N	1	0	369.404	1.056	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573570504	947090818	/nfs/dbraw/zinc/09/08/18/947090818.db2.gz	QTBFIOBIANKSKK-CPUCHLNUSA-N	1	0	367.457	1.743	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H](C)[C@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)n1	ZINC001090842288	947097695	/nfs/dbraw/zinc/09/76/95/947097695.db2.gz	LVKFXMVNZZFKHP-HYVNUMGLSA-N	1	0	370.501	1.726	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C)[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1	ZINC001573299693	947100210	/nfs/dbraw/zinc/10/02/10/947100210.db2.gz	KVQHOUNRLNBFOW-WBMJQRKESA-N	1	0	355.446	1.607	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1(C)C	ZINC001573571891	947104830	/nfs/dbraw/zinc/10/48/30/947104830.db2.gz	BIBVKZYZFOGERH-BBRMVZONSA-N	1	0	367.457	1.743	20	30		FDEDRO
C[C@H](C#N)C(=O)NC1(C)CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1	ZINC001573572480	947114443	/nfs/dbraw/zinc/11/44/43/947114443.db2.gz	ITVZCNSLNKTXND-CYBMUJFWSA-N	1	0	353.430	1.497	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CCCC1	ZINC001573573039	947119591	/nfs/dbraw/zinc/11/95/91/947119591.db2.gz	LKVXVTUPWUPTDS-SUMWQHHRSA-N	1	0	367.457	1.791	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1(C)C	ZINC001573574121	947128273	/nfs/dbraw/zinc/12/82/73/947128273.db2.gz	QWXIOSINNCTNNV-CZUORRHYSA-N	1	0	367.457	1.743	20	30		FDEDRO
C[C@H](C#N)C(=O)NC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCCCC1	ZINC001573574356	947128921	/nfs/dbraw/zinc/12/89/21/947128921.db2.gz	RKVWZTDPENRLML-GFCCVEGCSA-N	1	0	354.418	1.074	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC1(C2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)CC1	ZINC001573575366	947139634	/nfs/dbraw/zinc/13/96/34/947139634.db2.gz	XUJVKIIKHUHJIQ-LBPRGKRZSA-N	1	0	366.429	1.287	20	30		FDEDRO
C[C@H](C#N)C(=O)NC1(C)CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1	ZINC001573575540	947139720	/nfs/dbraw/zinc/13/97/20/947139720.db2.gz	YWHDWBHWTJHFIS-LLVKDONJSA-N	1	0	359.459	1.559	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1	ZINC001573575661	947140714	/nfs/dbraw/zinc/14/07/14/947140714.db2.gz	AHZNVUVOCQYARO-STQMWFEESA-N	1	0	373.486	1.949	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573576246	947150039	/nfs/dbraw/zinc/15/00/39/947150039.db2.gz	FRKQMPHUNFMVPC-PBHICJAKSA-N	1	0	367.457	1.887	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC1([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCCC1	ZINC001573576579	947154468	/nfs/dbraw/zinc/15/44/68/947154468.db2.gz	HQZWSBGFGQUJPP-LBPRGKRZSA-N	1	0	371.420	1.684	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC1(C)CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1	ZINC001573576646	947155925	/nfs/dbraw/zinc/15/59/25/947155925.db2.gz	IVCCUYVKPFUYSZ-AWEZNQCLSA-N	1	0	367.457	1.745	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC1(C)CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1	ZINC001573576647	947156070	/nfs/dbraw/zinc/15/60/70/947156070.db2.gz	IVCCUYVKPFUYSZ-CQSZACIVSA-N	1	0	367.457	1.745	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1	ZINC001573306549	947172663	/nfs/dbraw/zinc/17/26/63/947172663.db2.gz	LCSBISISJBPRSO-CYBMUJFWSA-N	1	0	355.446	1.867	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1C	ZINC001573583831	947210986	/nfs/dbraw/zinc/21/09/86/947210986.db2.gz	PNIPCVMFZSJLEK-OUCADQQQSA-N	1	0	371.420	1.350	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C12CCC2	ZINC001573327334	947385857	/nfs/dbraw/zinc/38/58/57/947385857.db2.gz	CFMCAIJTSQFVLT-LSDHHAIUSA-N	1	0	353.430	1.489	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1CCC[C@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1	ZINC001573327409	947386528	/nfs/dbraw/zinc/38/65/28/947386528.db2.gz	DIXGOROYUADBEF-ACJLOTCBSA-N	1	0	373.461	1.106	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CO[C@@H]2CCOC2)C[C@H]1c1ccc(OC)cc1	ZINC001090871114	947421775	/nfs/dbraw/zinc/42/17/75/947421775.db2.gz	RZTWPROXAXGKLR-CEXWTWQISA-N	1	0	358.438	1.018	20	30		FDEDRO
C=CCCCC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1	ZINC001573335043	947469669	/nfs/dbraw/zinc/46/96/69/947469669.db2.gz	VMAFLYXUCFVGSM-HIFRSBDPSA-N	1	0	355.446	1.689	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C2CN(C(C)=O)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090870649	947475719	/nfs/dbraw/zinc/47/57/19/947475719.db2.gz	KNZMPCUAIPOICG-RBUKOAKNSA-N	1	0	357.454	1.244	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(C)ccc2=O)C[C@H]1c1ccc(OC)cc1	ZINC001090875054	947487003	/nfs/dbraw/zinc/48/70/03/947487003.db2.gz	FQVDOSKZASDMMW-PKOBYXMFSA-N	1	0	365.433	1.225	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1c1ccc(OC)cc1	ZINC001090875401	947491100	/nfs/dbraw/zinc/49/11/00/947491100.db2.gz	RXRHLOYLLUSAMC-DLBZAZTESA-N	1	0	352.394	1.022	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1OCC	ZINC001573335967	947494926	/nfs/dbraw/zinc/49/49/26/947494926.db2.gz	XZFCCXADRZEAGR-GDBMZVCRSA-N	1	0	373.461	1.228	20	30		FDEDRO
COC(=O)c1cc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)n2c1CCCC2	ZINC000856770429	971389164	/nfs/dbraw/zinc/38/91/64/971389164.db2.gz	JTIHYSQSMFNUCO-ZCXUNETKSA-N	1	0	372.425	1.227	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090876034	947552297	/nfs/dbraw/zinc/55/22/97/947552297.db2.gz	NXLKPRWPROQPTC-SQGPQFPESA-N	1	0	357.454	1.291	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1	ZINC001573347297	947572353	/nfs/dbraw/zinc/57/23/53/947572353.db2.gz	BOUIDGKQNCHJAT-OLZOCXBDSA-N	1	0	359.434	1.028	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1c1ccc(OC)cc1	ZINC001090880739	947595351	/nfs/dbraw/zinc/59/53/51/947595351.db2.gz	IHVMCJRQMHJZHQ-RBUKOAKNSA-N	1	0	369.469	1.527	20	30		FDEDRO
CC#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573358167	947659109	/nfs/dbraw/zinc/65/91/09/947659109.db2.gz	HKNHRKGEGMGXMX-NVXWUHKLSA-N	1	0	361.409	1.204	20	30		FDEDRO
CO[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)CCC[NH+]1CCCCC1	ZINC001090893571	947757743	/nfs/dbraw/zinc/75/77/43/947757743.db2.gz	YIPCGTIHNIKSFP-RTBURBONSA-N	1	0	371.485	1.539	20	30		FDEDRO
C[C@H](Sc1ncccc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)C(=O)N1CCCC1	ZINC000844195010	947819630	/nfs/dbraw/zinc/81/96/30/947819630.db2.gz	PASRNMFVKWTLRT-GZBFAFLISA-N	1	0	373.482	1.026	20	30		FDEDRO
CN1C(=O)C[C@H](C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000844195458	947864505	/nfs/dbraw/zinc/86/45/05/947864505.db2.gz	UENJVRNZZWVHQF-WYURAEBNSA-N	1	0	364.808	1.226	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1OC	ZINC001090924580	947934591	/nfs/dbraw/zinc/93/45/91/947934591.db2.gz	NGGQFJBLUKZNFM-HUUCEWRRSA-N	1	0	363.437	1.142	20	30		FDEDRO
CO[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1	ZINC001090926963	947970003	/nfs/dbraw/zinc/97/00/03/947970003.db2.gz	UUKDEYPKHDVXIS-IAGOWNOFSA-N	1	0	371.485	1.538	20	30		FDEDRO
C#CC(=O)N(CC(C)C)c1nc2c(cc1C(=O)N1CCCC1)CC[NH2+]CC2	ZINC001143907216	947981159	/nfs/dbraw/zinc/98/11/59/947981159.db2.gz	MNRSCDJFUHWYRV-UHFFFAOYSA-N	1	0	368.481	1.628	20	30		FDEDRO
CO[C@@H]1CN(c2cc(C)ncc2C#N)C[C@H]1NC(=O)C[N@H+](C)C1CCC1	ZINC001090948024	948080304	/nfs/dbraw/zinc/08/03/04/948080304.db2.gz	HUMOILQFUBXJJR-SJLPKXTDSA-N	1	0	357.458	1.066	20	30		FDEDRO
CO[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C	ZINC001090950028	948088729	/nfs/dbraw/zinc/08/87/29/948088729.db2.gz	ZIHQCUNYNLVUOP-GVDBMIGSSA-N	1	0	357.458	1.147	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH+]1CCC(CCNC(=O)OC(C)(C)C)CC1	ZINC000844444685	948093325	/nfs/dbraw/zinc/09/33/25/948093325.db2.gz	XCPBBNXRPDDCEX-UHFFFAOYSA-N	1	0	368.478	1.625	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1Nc1ccnc(C#N)n1	ZINC001090984164	948227135	/nfs/dbraw/zinc/22/71/35/948227135.db2.gz	KGTDANOWKFADMI-HZPDHXFCSA-N	1	0	356.474	1.295	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)CC1	ZINC000844672306	948297650	/nfs/dbraw/zinc/29/76/50/948297650.db2.gz	HEZDCIWUXXTXOB-HXUWFJFHSA-N	1	0	365.477	1.564	20	30		FDEDRO
N#Cc1ccc(C[NH+]2CCC3(C[C@H](C(=O)NC4CCC4)CO3)CC2)nc1	ZINC001144158575	948301789	/nfs/dbraw/zinc/30/17/89/948301789.db2.gz	LOWRNWJQSNLXNR-INIZCTEOSA-N	1	0	354.454	1.993	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ncnn2C(C)C)C1	ZINC001091034744	948560231	/nfs/dbraw/zinc/56/02/31/948560231.db2.gz	TXKOSDKXRHWDKA-BACDZXNISA-N	1	0	361.490	1.825	20	30		FDEDRO
Cn1nccc1CCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000845114520	948693703	/nfs/dbraw/zinc/69/37/03/948693703.db2.gz	PJTUOPWOICVFCW-UHFFFAOYSA-N	1	0	366.469	1.798	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)OC)C1	ZINC000845220253	948825671	/nfs/dbraw/zinc/82/56/71/948825671.db2.gz	GAOOJKBMAPKVFZ-ZWKOTPCHSA-N	1	0	357.454	1.540	20	30		FDEDRO
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1	ZINC000845192562	948834838	/nfs/dbraw/zinc/83/48/38/948834838.db2.gz	TZFMSGXLFVEDGH-GOSISDBHSA-N	1	0	356.470	1.036	20	30		FDEDRO
C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1ncc(C#N)cn1	ZINC000845238662	948925694	/nfs/dbraw/zinc/92/56/94/948925694.db2.gz	JWFBNPMJQCFAIW-ZDUSSCGKSA-N	1	0	363.418	1.236	20	30		FDEDRO
C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1	ZINC001196199876	971534431	/nfs/dbraw/zinc/53/44/31/971534431.db2.gz	ONZJHPXJBOVGBU-CHWSQXEVSA-N	1	0	362.312	1.034	20	30		FDEDRO
C[C@H](Cc1cccc(C#N)c1)[NH2+]CC(=O)NCC(=O)OCc1ccccc1	ZINC001171181480	949166992	/nfs/dbraw/zinc/16/69/92/949166992.db2.gz	LRSSHHBYPBRMRC-MRXNPFEDSA-N	1	0	365.433	1.938	20	30		FDEDRO
N#Cc1ccccc1CN1C(=O)CN(CN2CC[NH+](CC3CC3)CC2)C1=O	ZINC000102390753	971590905	/nfs/dbraw/zinc/59/09/05/971590905.db2.gz	XLULGDOILJWWFN-UHFFFAOYSA-N	1	0	367.453	1.308	20	30		FDEDRO
CCCCCC[N@H+](C)CC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O	ZINC001091130156	949584791	/nfs/dbraw/zinc/58/47/91/949584791.db2.gz	RJRVTCVWKUBUFD-SJORKVTESA-N	1	0	359.474	1.131	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1	ZINC001576168421	949637219	/nfs/dbraw/zinc/63/72/19/949637219.db2.gz	UGMAOOSOHQVCPX-KBPBESRZSA-N	1	0	367.461	1.619	20	30		FDEDRO
C=C[C@@H](C)ONC(=O)N1CCC(C(=O)NCCC[NH+](CC)CC)CC1	ZINC000845640050	949732549	/nfs/dbraw/zinc/73/25/49/949732549.db2.gz	UCQSOCJHWMWVJT-OAHLLOKOSA-N	1	0	354.495	1.762	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C[NH+]2CCCC2)c1	ZINC000845665544	949805002	/nfs/dbraw/zinc/80/50/02/949805002.db2.gz	VXHFLVAHAWNOBF-AWEZNQCLSA-N	1	0	350.440	1.239	20	30		FDEDRO
Cc1cc(N2C[C@@H](NC(=O)CC3([NH+](C)C)CCCC3)[C@@H](O)C2)c(C#N)cn1	ZINC001091163545	949934650	/nfs/dbraw/zinc/93/46/50/949934650.db2.gz	ALUOBCFUXPXOJI-AEFFLSMTSA-N	1	0	371.485	1.192	20	30		FDEDRO
C#Cc1ccc(C[N@H+]2CCC[C@@]3(C2)COCCN(CC(=O)NC)C3)cc1	ZINC001144569699	949947889	/nfs/dbraw/zinc/94/78/89/949947889.db2.gz	XKEATUBQKRGUIT-NRFANRHFSA-N	1	0	355.482	1.328	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)NC[C@H](C)[NH+]1CCCCC1	ZINC000845826572	949996732	/nfs/dbraw/zinc/99/67/32/949996732.db2.gz	VXVDZNPYEOESRG-ZDUSSCGKSA-N	1	0	365.455	1.498	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1	ZINC001570962548	950031311	/nfs/dbraw/zinc/03/13/11/950031311.db2.gz	FPIUPAIVZWZIJX-BBRMVZONSA-N	1	0	353.430	1.497	20	30		FDEDRO
CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@@H](C)C#N	ZINC001574150814	950043162	/nfs/dbraw/zinc/04/31/62/950043162.db2.gz	DTGMRVFLBXERRR-BBRMVZONSA-N	1	0	355.446	1.647	20	30		FDEDRO
CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@@H](C)C#N	ZINC001574151865	950098831	/nfs/dbraw/zinc/09/88/31/950098831.db2.gz	ZTKFVOQJRCPUMA-XJKSGUPXSA-N	1	0	355.446	1.647	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cccc(Cl)c2F)C1	ZINC001196401192	971664802	/nfs/dbraw/zinc/66/48/02/971664802.db2.gz	ZKUMDAJZVLROOV-HUUCEWRRSA-N	1	0	356.825	1.386	20	30		FDEDRO
C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)/C=C/C(=O)c2ccccc2)C1	ZINC001144705729	950485327	/nfs/dbraw/zinc/48/53/27/950485327.db2.gz	XVBOJPKMUJSROW-ROJDOSBLSA-N	1	0	352.438	1.842	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)C1	ZINC001196415567	971684270	/nfs/dbraw/zinc/68/42/70/971684270.db2.gz	KMKQVKXDZFTKFC-QZTJIDSGSA-N	1	0	361.417	1.213	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2c3ccccc3CC2=O)C1	ZINC001196422068	971689449	/nfs/dbraw/zinc/68/94/49/971689449.db2.gz	UUQXZUXEHZOSIO-YXJHDRRASA-N	1	0	357.454	1.092	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]CC(=O)Nc2ccc(F)c(F)c2)cc1	ZINC000857280048	971692049	/nfs/dbraw/zinc/69/20/49/971692049.db2.gz	GXUMBPFITKNXNV-AWEZNQCLSA-N	1	0	361.348	1.804	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N1CC[C@H]2CCN(c3nc(C)cc(C#N)n3)[C@H]2C1	ZINC001091219498	951013716	/nfs/dbraw/zinc/01/37/16/951013716.db2.gz	PNXPNJJIRNKSJU-RDJZCZTQSA-N	1	0	356.474	1.426	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)c[nH]1	ZINC001571004057	951134326	/nfs/dbraw/zinc/13/43/26/951134326.db2.gz	COSGGRWQDKDLPV-OAHLLOKOSA-N	1	0	362.397	1.071	20	30		FDEDRO
C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC(NC(=O)N2CCOCC2)CC1	ZINC001171230705	951257657	/nfs/dbraw/zinc/25/76/57/951257657.db2.gz	GCXSQWKWWUGSFU-INIZCTEOSA-N	1	0	356.470	1.995	20	30		FDEDRO
C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001091275938	951285620	/nfs/dbraw/zinc/28/56/20/951285620.db2.gz	XQJBPRULQYQCAL-HJRFIPHPSA-N	1	0	356.470	1.662	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1	ZINC001571018176	951342977	/nfs/dbraw/zinc/34/29/77/951342977.db2.gz	CEAUVOGQBRNIPV-XOKHGSTOSA-N	1	0	365.441	1.592	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H](O)c3ccccn3)CC2)c1	ZINC000846612108	951374558	/nfs/dbraw/zinc/37/45/58/951374558.db2.gz	NFAGBNLLWUVBKT-IBGZPJMESA-N	1	0	350.422	1.767	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(CC[NH3+])CC2)ccc1F	ZINC000846694833	951463018	/nfs/dbraw/zinc/46/30/18/951463018.db2.gz	CTPVOKXUFGQZFI-UHFFFAOYSA-N	1	0	369.462	1.491	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)NCCC[N@@H+](CC)C1CCCCC1)[C@H]1CCCO1	ZINC000846738991	951544750	/nfs/dbraw/zinc/54/47/50/951544750.db2.gz	NXNMDUINIAGQNJ-QZTJIDSGSA-N	1	0	363.502	1.444	20	30		FDEDRO
COC(=O)c1cc(C#N)cc(NC(=O)[C@@H]([NH3+])Cc2cccc(OC)c2)c1	ZINC001144941329	951572386	/nfs/dbraw/zinc/57/23/86/951572386.db2.gz	IYKYZERUKRDPSL-KRWDZBQOSA-N	1	0	353.378	1.862	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1cc(O[C@@H]2CC[N@@H+](CC#CC)C2)ccn1	ZINC001091405894	951602413	/nfs/dbraw/zinc/60/24/13/951602413.db2.gz	LWHQEMQMAPBGTJ-AQNXPRMDSA-N	1	0	369.465	1.765	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1cc(O[C@H]2CC[N@@H+](CC#CC)C2)ccn1	ZINC001091405895	951603220	/nfs/dbraw/zinc/60/32/20/951603220.db2.gz	LWHQEMQMAPBGTJ-ZCNNSNEGSA-N	1	0	369.465	1.765	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+](C)C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1=O	ZINC000846892889	951682363	/nfs/dbraw/zinc/68/23/63/951682363.db2.gz	XSVJZUTWMOSVTP-KSSFIOAISA-N	1	0	353.463	1.077	20	30		FDEDRO
CN1C[C@H]([N@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCC1=O	ZINC000846919995	951694042	/nfs/dbraw/zinc/69/40/42/951694042.db2.gz	JMABHPSHZKSRBA-HUUCEWRRSA-N	1	0	363.421	1.776	20	30		FDEDRO
C#C[C@@H]1CCC[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000847022507	951776056	/nfs/dbraw/zinc/77/60/56/951776056.db2.gz	UPKWVXCSUONWKE-XLIONFOSSA-N	1	0	368.456	1.880	20	30		FDEDRO
C#C[C@H]1CCC[N@@H+](CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)C1	ZINC000847028515	951779334	/nfs/dbraw/zinc/77/93/34/951779334.db2.gz	HEQWLWGDSXLZGQ-KRWDZBQOSA-N	1	0	353.466	1.753	20	30		FDEDRO
C[C@H](CNC(=O)c1ccc(C#N)[nH]1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1	ZINC001575094336	951805031	/nfs/dbraw/zinc/80/50/31/951805031.db2.gz	MVBDHFJWGPUESU-LBPRGKRZSA-N	1	0	364.413	1.222	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)/C=C\c4ccco4)C[C@]3(C)C2)C1=O	ZINC001091443056	951805663	/nfs/dbraw/zinc/80/56/63/951805663.db2.gz	YYKBRQGGKFWMBA-UNGYTHKISA-N	1	0	369.465	1.860	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ccc(C)n4C)C[C@]3(C)C2)C1=O	ZINC001091481410	951863404	/nfs/dbraw/zinc/86/34/04/951863404.db2.gz	QZNBXGYORJHNDX-MMOPVJDHSA-N	1	0	370.497	1.514	20	30		FDEDRO
C[C@H](CNC(=O)c1cc(C#N)c[nH]1)C[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001575113966	951950731	/nfs/dbraw/zinc/95/07/31/951950731.db2.gz	JIGSZIMMLXNGCK-LBPRGKRZSA-N	1	0	364.413	1.222	20	30		FDEDRO
C[C@H](C[NH2+]Cc1cccc(C#N)c1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001575114033	951950816	/nfs/dbraw/zinc/95/08/16/951950816.db2.gz	KYHPYHKEAAMWAX-GFCCVEGCSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[NH+](C)CCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1c1ccccc1	ZINC001091531368	951958350	/nfs/dbraw/zinc/95/83/50/951958350.db2.gz	FFJYQLIIQBCPLP-ZWKOTPCHSA-N	1	0	364.453	1.389	20	30		FDEDRO
Cc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@]3(C)C2)ncn1	ZINC001091574445	952110496	/nfs/dbraw/zinc/11/04/96/952110496.db2.gz	HXYUKHKAZBPUDS-BEFAXECRSA-N	1	0	350.426	1.579	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001571084286	952187928	/nfs/dbraw/zinc/18/79/28/952187928.db2.gz	GHSSTKQBNNQWNG-OCCSQVGLSA-N	1	0	371.420	1.446	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)NC[C@H]2CC[C@@H](Nc3ccc(C#N)nc3)C2)CC1	ZINC001091600179	952216554	/nfs/dbraw/zinc/21/65/54/952216554.db2.gz	UOAHQKOEIXZCTM-JKSUJKDBSA-N	1	0	371.485	1.761	20	30		FDEDRO
CN1CCOC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@]2(C)C1	ZINC001091611736	952291667	/nfs/dbraw/zinc/29/16/67/952291667.db2.gz	FYRHGIORYWHEFO-DYXWJJEUSA-N	1	0	368.481	1.169	20	30		FDEDRO
Cc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@]3(C)C2)ncn1	ZINC001091613354	952306821	/nfs/dbraw/zinc/30/68/21/952306821.db2.gz	UWIDHCPWQGTDLX-BEFAXECRSA-N	1	0	350.426	1.579	20	30		FDEDRO
CC(C)(C(=O)NC[C@H]1CC[C@@H](Nc2cncc(C#N)n2)C1)[NH+]1CCCC1	ZINC001091622841	952345689	/nfs/dbraw/zinc/34/56/89/952345689.db2.gz	XIQQFQXLXZDWHL-LSDHHAIUSA-N	1	0	356.474	1.919	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ccncc4C)C[C@]3(C)C2)C1=O	ZINC001091649956	952480289	/nfs/dbraw/zinc/48/02/89/952480289.db2.gz	UAIBNONNJYUNEG-MMOPVJDHSA-N	1	0	368.481	1.571	20	30		FDEDRO
Cc1ccc(C(=NC(=O)c2ccc(CC[NH+]3CCCC3)nc2)NO)nc1	ZINC001147974514	952580710	/nfs/dbraw/zinc/58/07/10/952580710.db2.gz	GDNHKASBMJNBKB-UHFFFAOYSA-N	1	0	353.426	1.989	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cn([C@@H](C)COC)nc3C)C[C@]2(C)C1	ZINC001091672699	952596489	/nfs/dbraw/zinc/59/64/89/952596489.db2.gz	SDINFDDWQNWXAC-VPWXQRGCSA-N	1	0	358.486	1.816	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN(C(=O)C4CC4)C3)C[C@]2(C)C1	ZINC001091695179	952651413	/nfs/dbraw/zinc/65/14/13/952651413.db2.gz	ASODDXQSLSDPTD-UEXGIBASSA-N	1	0	357.498	1.439	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3cccc(OCC(N)=O)c3)C[C@]2(C)C1	ZINC001091717031	952717166	/nfs/dbraw/zinc/71/71/66/952717166.db2.gz	QYPFEMNMAIZQTD-UZLBHIALSA-N	1	0	357.454	1.521	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+]([C@H](C)C(=O)NCCC)C2	ZINC001148423899	952726433	/nfs/dbraw/zinc/72/64/33/952726433.db2.gz	FSUCGDWFTTZUAB-IKGGRYGDSA-N	1	0	363.502	1.417	20	30		FDEDRO
C[C@]12CN(C(=O)C[C@@H]3CCNC3=O)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001091734505	952761322	/nfs/dbraw/zinc/76/13/22/952761322.db2.gz	WWRDQBLISAKPAO-KLHJMIIUSA-N	1	0	366.465	1.365	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nncs2)C1	ZINC001086855476	952866105	/nfs/dbraw/zinc/86/61/05/952866105.db2.gz	ARDQIYJIYNTMDG-UONOGXRCSA-N	1	0	371.466	1.633	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCC(=O)N3)C2)cc1C#N	ZINC001086856144	952902502	/nfs/dbraw/zinc/90/25/02/952902502.db2.gz	KYDXJHMQQBLDTD-UAGQMJEPSA-N	1	0	370.453	1.220	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnc(C)[nH]2)C1	ZINC001086856691	952903360	/nfs/dbraw/zinc/90/33/60/952903360.db2.gz	OSWHRTFGDOYDEQ-LSDHHAIUSA-N	1	0	368.441	1.208	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)C3CC3)C[C@H]2[NH2+]Cc2ccc(C#N)c(F)c2)cn1	ZINC001086961561	952958746	/nfs/dbraw/zinc/95/87/46/952958746.db2.gz	KNAAQEYUYLNWDN-PKOBYXMFSA-N	1	0	367.428	1.925	20	30		FDEDRO
CO[C@@H](C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001086969351	952969319	/nfs/dbraw/zinc/96/93/19/952969319.db2.gz	OJZLWNYIUSSRHH-ZOCIIQOWSA-N	1	0	367.453	1.411	20	30		FDEDRO
CO[C@@H](C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001086969466	952969739	/nfs/dbraw/zinc/96/97/39/952969739.db2.gz	UKXSZQCKINDOJN-ZOCIIQOWSA-N	1	0	367.453	1.411	20	30		FDEDRO
Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2c2cnn(C)c2)o1	ZINC001086978077	952989484	/nfs/dbraw/zinc/98/94/84/952989484.db2.gz	CLYYVPNDOAIYEL-ZWKOTPCHSA-N	1	0	367.453	1.523	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2ccncc2C)C[C@H]1c1cnn(C)c1	ZINC001086979077	952992205	/nfs/dbraw/zinc/99/22/05/952992205.db2.gz	HSLPXFNUIOQIDV-RBUKOAKNSA-N	1	0	353.470	1.826	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnc3ccccc3n2)C[C@H]1c1cnn(C)c1	ZINC001086982656	952995646	/nfs/dbraw/zinc/99/56/46/952995646.db2.gz	WHWCWYSJELBIKC-HNAYVOBHSA-N	1	0	362.437	1.747	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH]c(=O)[nH]c32)C[C@H]1c1cnn(C)c1	ZINC001086982723	952995883	/nfs/dbraw/zinc/99/58/83/952995883.db2.gz	ZYCDXDCSDACFAY-GOEBONIOSA-N	1	0	366.425	1.386	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2ccncc2)C[C@H]1c1cnn(C)c1	ZINC001086984499	952999163	/nfs/dbraw/zinc/99/91/63/952999163.db2.gz	QHPAXMSASUHRGE-ZYSHUDEJSA-N	1	0	351.454	1.526	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2CCC)C[C@H]1c1cnn(C)c1	ZINC001086985604	953002973	/nfs/dbraw/zinc/00/29/73/953002973.db2.gz	SVWHNQOQQVOMJJ-FUHWJXTLSA-N	1	0	356.474	1.870	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cnc(Cl)n2C)C[C@H]1c1cnn(C)c1	ZINC001086987466	953009961	/nfs/dbraw/zinc/00/99/61/953009961.db2.gz	UGGMASBXPPIRJE-UONOGXRCSA-N	1	0	362.865	1.581	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCc2cnn(C)c2)C1	ZINC001086990697	953018423	/nfs/dbraw/zinc/01/84/23/953018423.db2.gz	PYYUAMZVTWNCRV-ZWKOTPCHSA-N	1	0	370.501	1.493	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ncn(C(C)(C)C)n2)C[C@H]1c1cnn(C)c1	ZINC001086996534	953037846	/nfs/dbraw/zinc/03/78/46/953037846.db2.gz	IZAUVYAMTLGELO-LSDHHAIUSA-N	1	0	357.462	1.150	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C2CCC(F)(F)CC2)C[C@H]1c1cnn(C)c1	ZINC001086999180	953046088	/nfs/dbraw/zinc/04/60/88/953046088.db2.gz	WGSXSUKFGTTWGA-JKSUJKDBSA-N	1	0	350.413	1.763	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC(C)C)C1	ZINC001087001190	953054063	/nfs/dbraw/zinc/05/40/63/953054063.db2.gz	IKDMODSHAVBZTM-OKYOBFRVSA-N	1	0	360.502	1.941	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCC)C2)nn1	ZINC001087001185	953054320	/nfs/dbraw/zinc/05/43/20/953054320.db2.gz	IAENZSDUMIZKQJ-JKSUJKDBSA-N	1	0	357.462	1.196	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3ccccc3O2)C[C@H]1c1cnn(C)c1	ZINC001087002202	953057355	/nfs/dbraw/zinc/05/73/55/953057355.db2.gz	MWMVQBUUGVBXHG-NSHGMRRFSA-N	1	0	366.465	1.884	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3nc[nH]c3C2)C[C@H]1c1cnn(C)c1	ZINC001087005203	953064225	/nfs/dbraw/zinc/06/42/25/953064225.db2.gz	QOMPNGRESUOLBB-DHSIGJKJSA-N	1	0	354.458	1.018	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C2CC2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001087015353	953070404	/nfs/dbraw/zinc/07/04/04/953070404.db2.gz	GZJSWGIOKQXKCW-IEBWSBKVSA-N	1	0	357.454	1.952	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087021884	953086520	/nfs/dbraw/zinc/08/65/20/953086520.db2.gz	OKDNWKUMVSGQTO-QZTJIDSGSA-N	1	0	371.437	1.400	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2ccccn2)C[C@H]1c1cnn(C)c1	ZINC001087006028	953089636	/nfs/dbraw/zinc/08/96/36/953089636.db2.gz	FUHMFNFDYZVVCM-HYVNUMGLSA-N	1	0	355.442	1.353	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cc(C)ccc2F)C[C@H]1c1cnn(C)c1	ZINC001087006785	953091267	/nfs/dbraw/zinc/09/12/67/953091267.db2.gz	WNTYRPHMTATFML-PKOBYXMFSA-N	1	0	354.429	1.628	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2ccccc2OC)C[C@H]1c1cnn(C)c1	ZINC001087008437	953095820	/nfs/dbraw/zinc/09/58/20/953095820.db2.gz	FSEFDHLALLNZPQ-ZWKOTPCHSA-N	1	0	354.454	1.741	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2C(C)C)C[C@H]1c1cnn(C)c1	ZINC001087009134	953097251	/nfs/dbraw/zinc/09/72/51/953097251.db2.gz	QSDKBARDOPEWKB-DOTOQJQBSA-N	1	0	356.474	1.661	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3c2CCCCC3)C[C@H]1c1cnn(C)c1	ZINC001087009744	953099061	/nfs/dbraw/zinc/09/90/61/953099061.db2.gz	WCOKURPMQYTRCM-FUHWJXTLSA-N	1	0	366.469	1.243	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)N(C)C)C[C@H]1c1cnn(C)c1	ZINC001087011153	953103189	/nfs/dbraw/zinc/10/31/89/953103189.db2.gz	HRXVZTFXUSUONL-XUVXKRRUSA-N	1	0	365.481	1.240	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc3n(c2)CCCC3)C[C@H]1c1cnn(C)c1	ZINC001087012957	953108526	/nfs/dbraw/zinc/10/85/26/953108526.db2.gz	XOXGOUOCVZJBAO-RBUKOAKNSA-N	1	0	351.454	1.389	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccon2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001087030431	953124702	/nfs/dbraw/zinc/12/47/02/953124702.db2.gz	LUECNHZACVAEGX-MLGOLLRUSA-N	1	0	360.439	1.875	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087030744	953125261	/nfs/dbraw/zinc/12/52/61/953125261.db2.gz	XMRMFBNMVQJBCH-QZTJIDSGSA-N	1	0	353.426	1.548	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1nc(C)c(C)s1	ZINC001087035572	953144956	/nfs/dbraw/zinc/14/49/56/953144956.db2.gz	FTLMAWQKYNLZSF-KCPJHIHWSA-N	1	0	350.488	1.873	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001087035486	953145136	/nfs/dbraw/zinc/14/51/36/953145136.db2.gz	BYCSOZWJMMLCKO-KVSKMBFKSA-N	1	0	370.453	1.702	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C[C@H]2CCOC2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087037469	953150512	/nfs/dbraw/zinc/15/05/12/953150512.db2.gz	OHIBXMXJJWCLNN-VAMGGRTRSA-N	1	0	371.481	1.938	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C[C@@H]2CCOC2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087037470	953150535	/nfs/dbraw/zinc/15/05/35/953150535.db2.gz	OHIBXMXJJWCLNN-XUVXKRRUSA-N	1	0	371.481	1.938	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1conc1C	ZINC001087046995	953195503	/nfs/dbraw/zinc/19/55/03/953195503.db2.gz	MKTUNBNQXCWDEM-RHSMWYFYSA-N	1	0	357.414	1.450	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C2CC(OC)C2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087061407	953205649	/nfs/dbraw/zinc/20/56/49/953205649.db2.gz	DMILBPQNMHEYRI-CQJJOKNBSA-N	1	0	371.481	1.936	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]C[C@@H]3CCOC3)[C@H](OCC)C2)cc1	ZINC001087071370	953225450	/nfs/dbraw/zinc/22/54/50/953225450.db2.gz	MJRGLHKJSNSOML-DFQSSKMNSA-N	1	0	356.466	1.771	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H]2CCN(C)C2=O)[C@H](OCC)C1	ZINC001087072164	953226948	/nfs/dbraw/zinc/22/69/48/953226948.db2.gz	UOAADMLXHPCXRZ-BZUAXINKSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C3CC3)[nH]2)[C@H](OCC)C1	ZINC001087072129	953226955	/nfs/dbraw/zinc/22/69/55/953226955.db2.gz	SODQHCOINKWHFZ-HUUCEWRRSA-N	1	0	361.490	1.847	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CCC)[C@H](OCC)C1	ZINC001087072603	953227328	/nfs/dbraw/zinc/22/73/28/953227328.db2.gz	OTHOANQECXBKNS-HZPDHXFCSA-N	1	0	363.506	1.853	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nccnc2C)[C@H](OCC)C1	ZINC001087085821	953247212	/nfs/dbraw/zinc/24/72/12/953247212.db2.gz	ZJWNYTKREARTKG-ZAWLATJESA-N	1	0	374.485	1.329	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087088250	953250566	/nfs/dbraw/zinc/25/05/66/953250566.db2.gz	PRWINXGFOIFINX-IEBWSBKVSA-N	1	0	367.453	1.477	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCOC2)[C@H](OCC)C1	ZINC001087099012	953268850	/nfs/dbraw/zinc/26/88/50/953268850.db2.gz	ZKVDHCIPGZUXCX-IOMROCGXSA-N	1	0	370.493	1.700	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cccnc3)[C@H](OCC)C2)nc1	ZINC001087097524	953284798	/nfs/dbraw/zinc/28/47/98/953284798.db2.gz	VCKACIFFXUNTBB-UYAOXDASSA-N	1	0	364.449	1.725	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cnc(C)o3)[C@H](OCC)C2)cn1	ZINC001087097556	953284844	/nfs/dbraw/zinc/28/48/44/953284844.db2.gz	XBZNSXISLHLPAB-VQIMIIECSA-N	1	0	368.437	1.626	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]C[C@H]3CCOC3)[C@H](OCC)C2)nc1	ZINC001087097593	953285273	/nfs/dbraw/zinc/28/52/73/953285273.db2.gz	YRCQPIYFVIEMFK-ZHALLVOQSA-N	1	0	357.454	1.166	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CCN1c1cnc(C#N)cn1	ZINC001091832361	953376121	/nfs/dbraw/zinc/37/61/21/953376121.db2.gz	WJUFWYXFMYKPGP-YESZJQIVSA-N	1	0	356.474	1.696	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(OCC(N)=O)cc3)C[C@]2(C)C1	ZINC001091834263	953385275	/nfs/dbraw/zinc/38/52/75/953385275.db2.gz	LTFNPOJSGPXYFU-UTKZUKDTSA-N	1	0	371.481	1.911	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H]2CN(C(=O)c3cnc4cc(OC)ccn34)C[C@]2(C)C1	ZINC001091853405	953484248	/nfs/dbraw/zinc/48/42/48/953484248.db2.gz	MTWIUYQXEVVVGL-QRWLVFNGSA-N	1	0	352.438	1.760	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3COCCN3CC(F)F)C[C@]2(C)C1	ZINC001091883236	953517775	/nfs/dbraw/zinc/51/77/75/953517775.db2.gz	CRNMOLOERIGZEF-VKJFTORMSA-N	1	0	357.445	1.309	20	30		FDEDRO
Cc1ccc(C#N)c(N2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)C[C@@H]3C2)n1	ZINC001091870131	953624771	/nfs/dbraw/zinc/62/47/71/953624771.db2.gz	FTAAIBZSAYMUKQ-MSOLQXFVSA-N	1	0	367.497	1.888	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@H]3CCNC3=O)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1F)C2	ZINC001091910783	953696673	/nfs/dbraw/zinc/69/66/73/953696673.db2.gz	HNGGWQUNXVNZNU-QINHECLXSA-N	1	0	370.428	1.114	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)CC(C)(F)F)C[C@]3(C)C2)C1=O	ZINC001091986109	953874473	/nfs/dbraw/zinc/87/44/73/953874473.db2.gz	VYPCKRGRGYIRBX-CPUCHLNUSA-N	1	0	355.429	1.599	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3C[N@@H+](Cc4conc4C)C[C@@]3(C)C2)c1	ZINC001091997115	953914093	/nfs/dbraw/zinc/91/40/93/953914093.db2.gz	MGCHMLFGTUJNCT-QUCCMNQESA-N	1	0	350.422	1.953	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3C[N@H+](CCN4CCCC4=O)C[C@@]3(C)C2)c1	ZINC001091997945	953917795	/nfs/dbraw/zinc/91/77/95/953917795.db2.gz	RIACLPXOQVCIIZ-NQIIRXRSSA-N	1	0	366.465	1.079	20	30		FDEDRO
CCCCCC[N@H+](C)CC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)[C@@H]1C	ZINC001092000708	953927257	/nfs/dbraw/zinc/92/72/57/953927257.db2.gz	IQJHCQRCYMTNGG-WBVHZDCISA-N	1	0	358.490	1.944	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)n[nH]2)C1	ZINC001196905198	971983550	/nfs/dbraw/zinc/98/35/50/971983550.db2.gz	RGCLECBFQGLGMD-CHWSQXEVSA-N	1	0	360.380	1.950	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cccnc3OC)C[C@@]2(C)C1	ZINC001092030000	954128552	/nfs/dbraw/zinc/12/85/52/954128552.db2.gz	OFDCDUWTLMMYRY-WIRSXHRWSA-N	1	0	371.481	1.962	20	30		FDEDRO
C[C@]12CN(C(=O)Cc3ncc[nH]3)C[C@H]1C[N@H+](CC#Cc1ccc(F)cc1)C2	ZINC001092137653	954443816	/nfs/dbraw/zinc/44/38/16/954443816.db2.gz	LVCFGKYBQJHIBR-UTKZUKDTSA-N	1	0	366.440	1.923	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3cc4c([nH]c3=O)CCOC4)C[C@]2(C)C1	ZINC001092186050	954487244	/nfs/dbraw/zinc/48/72/44/954487244.db2.gz	UICGAEQNYDFYHP-QRWLVFNGSA-N	1	0	357.454	1.830	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@@]2(C)C1	ZINC001092232332	954578047	/nfs/dbraw/zinc/57/80/47/954578047.db2.gz	HTFFRZSZDLMVSN-PERKRYKHSA-N	1	0	367.493	1.467	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1C[C@H]2CN(c3nc(C)cc(C#N)n3)C[C@@]2(C)C1	ZINC001092297599	954734281	/nfs/dbraw/zinc/73/42/81/954734281.db2.gz	OTCHADINIYKELE-HNAYVOBHSA-N	1	0	356.474	1.283	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H]3C(=O)Nc4ccccc43)C[C@]2(C)C1	ZINC001092317361	954823280	/nfs/dbraw/zinc/82/32/80/954823280.db2.gz	KVULSIVKJUECJE-KUDFPVQQSA-N	1	0	351.450	1.916	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)C[C@H]3c4ccccc4NC3=O)C[C@]2(C)C1	ZINC001092318004	954825926	/nfs/dbraw/zinc/82/59/26/954825926.db2.gz	WERJQJSBNFQVSN-KUDFPVQQSA-N	1	0	351.450	1.916	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)Cc3nc(C4CC4)nn3C)C[C@]2(C)C1	ZINC001092291738	954888524	/nfs/dbraw/zinc/88/85/24/954888524.db2.gz	JMPOONGGMBBOHH-UZLBHIALSA-N	1	0	357.502	1.982	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@@H](CNC(=O)C[C@H]3CC[N@H+](C)C3)[C@H](C)C2)n1	ZINC001092384697	954982818	/nfs/dbraw/zinc/98/28/18/954982818.db2.gz	GAZSINICKZZAHE-QGPMSJSTSA-N	1	0	355.486	1.792	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC2(C[NH+](CC3CCC3)C2)n2ccnc21	ZINC001092396430	955001522	/nfs/dbraw/zinc/00/15/22/955001522.db2.gz	BWECVMFWMCONFG-ZACQAIPSSA-N	1	0	356.470	1.846	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1C	ZINC001092366187	955032352	/nfs/dbraw/zinc/03/23/52/955032352.db2.gz	CZBSENGEJYIULP-JFIYKMOQSA-N	1	0	371.485	1.110	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CNC(=O)CC1([NH+](C)C)CCCC1	ZINC001092426238	955068783	/nfs/dbraw/zinc/06/87/83/955068783.db2.gz	WXSAUJJJRKKUPO-HZPDHXFCSA-N	1	0	370.501	1.801	20	30		FDEDRO
Cc1nc(N2C[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@H](C)C2)ccc1C#N	ZINC001092434772	955088696	/nfs/dbraw/zinc/08/86/96/955088696.db2.gz	KZWKXVDTWPYCRC-RHSMWYFYSA-N	1	0	355.486	1.792	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)c1cnccn1	ZINC001092438776	955098514	/nfs/dbraw/zinc/09/85/14/955098514.db2.gz	FSSWINOSTQCNOY-NVXWUHKLSA-N	1	0	352.413	1.965	20	30		FDEDRO
Cc1nc(N2C[C@@H](CNC(=O)C[N@@H+]3CCC[C@@H]3C)[C@H](C)C2)ccc1C#N	ZINC001092444615	955116306	/nfs/dbraw/zinc/11/63/06/955116306.db2.gz	GEAWHIZPDZPJQB-RVKKMQEKSA-N	1	0	355.486	1.935	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)c1ccc(=O)[nH]n1	ZINC001092447391	955129536	/nfs/dbraw/zinc/12/95/36/955129536.db2.gz	WMKJTCLAZANWLO-CZUORRHYSA-N	1	0	351.410	1.552	20	30		FDEDRO
Cc1cc(N2C[C@@H](CNC(=O)C[N@H+](C)C3CCC3)[C@H](C)C2)c(C#N)cn1	ZINC001092456812	955171192	/nfs/dbraw/zinc/17/11/92/955171192.db2.gz	LTIQZJUTBNTKKJ-RHSMWYFYSA-N	1	0	355.486	1.935	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)c1ccnn1C	ZINC001092499177	955267064	/nfs/dbraw/zinc/26/70/64/955267064.db2.gz	MSKMVFFKRYIAKL-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC(=O)N2)[C@H](C)C1	ZINC001092507559	955283198	/nfs/dbraw/zinc/28/31/98/955283198.db2.gz	GPQLKYWZSYPONM-KBRIMQKVSA-N	1	0	370.453	1.030	20	30		FDEDRO
C[C@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)[C@H](C)C1	ZINC001092528102	955338220	/nfs/dbraw/zinc/33/82/20/955338220.db2.gz	VHQCEIOPELEAAP-IIAWOOMASA-N	1	0	371.485	1.631	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C	ZINC001092547619	955386934	/nfs/dbraw/zinc/38/69/34/955386934.db2.gz	CBMNXYSBISXDPZ-JFIYKMOQSA-N	1	0	370.501	1.800	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)NC2CCCCC2)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC001092552004	955407311	/nfs/dbraw/zinc/40/73/11/955407311.db2.gz	HYRGBOGDBKCDMT-GDBMZVCRSA-N	1	0	371.485	1.633	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1CCNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001092531891	955494148	/nfs/dbraw/zinc/49/41/48/955494148.db2.gz	VCYXEELYBKAFQM-IXDOHACOSA-N	1	0	355.486	1.874	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CCNC(=O)C[N@@H+]1CCC(C)(C)C1	ZINC001092585456	955548297	/nfs/dbraw/zinc/54/82/97/955548297.db2.gz	IEGRYRIWFPAIHT-HZPDHXFCSA-N	1	0	370.501	1.659	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CCNC(=O)C[N@@H+]1CCC(C)(C)C1	ZINC001092585729	955549674	/nfs/dbraw/zinc/54/96/74/955549674.db2.gz	OQJAXYMROWZVCB-HZPDHXFCSA-N	1	0	370.501	1.659	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)c3cc[nH]c3CC)[C@H](C)C2)C1=O	ZINC001092586765	955552936	/nfs/dbraw/zinc/55/29/36/955552936.db2.gz	YINTZYZOJJSBAI-RKVPGOIHSA-N	1	0	358.486	1.662	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CN(c2nccnc2C#N)C[C@H]1C	ZINC001092595593	955590769	/nfs/dbraw/zinc/59/07/69/955590769.db2.gz	UOMCWJAYOCKNEP-NUJGCVRESA-N	1	0	370.501	1.801	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CCNC(=O)C1(C[NH+](C)C)CC1	ZINC001092574639	955694378	/nfs/dbraw/zinc/69/43/78/955694378.db2.gz	RSCYNOHDYSOCJN-HUUCEWRRSA-N	1	0	356.474	1.269	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(N3CCCC3)c2)C1	ZINC001197154662	972123702	/nfs/dbraw/zinc/12/37/02/972123702.db2.gz	GVPGHNLATOANMB-RTBURBONSA-N	1	0	359.470	1.264	20	30		FDEDRO
CCc1nc(C#N)cc(NC[C@@H]2CN(C(=O)C[NH+](CC)CC)C[C@H]2C)n1	ZINC001092649070	955791945	/nfs/dbraw/zinc/79/19/45/955791945.db2.gz	CMKOTHMKDPIZSD-HUUCEWRRSA-N	1	0	358.490	1.759	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1CCNc1nccnc1C#N	ZINC001092618581	955839117	/nfs/dbraw/zinc/83/91/17/955839117.db2.gz	CRQMMDQNKHUEQP-HZPDHXFCSA-N	1	0	358.490	1.977	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1CCNc1ccnc(C#N)n1	ZINC001092619892	955847829	/nfs/dbraw/zinc/84/78/29/955847829.db2.gz	SWBKATDDFQVGSI-IAGOWNOFSA-N	1	0	370.501	1.543	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CC(=O)N(CCOC)C2)[C@H](C)C1	ZINC001092654181	955904025	/nfs/dbraw/zinc/90/40/25/955904025.db2.gz	LQZQEMHDYSLULG-IXDOHACOSA-N	1	0	351.491	1.132	20	30		FDEDRO
Cc1cc(NC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2C)c(C#N)cn1	ZINC001092656709	955916675	/nfs/dbraw/zinc/91/66/75/955916675.db2.gz	UGHLOOLDQDLMES-CRAIPNDOSA-N	1	0	357.502	1.922	20	30		FDEDRO
CC[C@@H](C(=O)N1C[C@@H](CNc2cnc(C#N)cn2)[C@H](C)C1)[NH+](CC)CC	ZINC001092674650	955982378	/nfs/dbraw/zinc/98/23/78/955982378.db2.gz	NADOXCJARVMZST-INMHGKMJSA-N	1	0	358.490	1.975	20	30		FDEDRO
Cc1cc(C#N)nc(N2CC[C@@]3(CNC(=O)C[NH+]4CCCC4)CCC[C@@H]23)n1	ZINC001092697903	956071086	/nfs/dbraw/zinc/07/10/86/956071086.db2.gz	KAAHGUGHNSSCAA-YLJYHZDGSA-N	1	0	368.485	1.618	20	30		FDEDRO
N#Cc1cnc(N2CC[C@@]3(CNC(=O)C[NH+]4CCCC4)CCC[C@@H]23)cn1	ZINC001092698331	956073505	/nfs/dbraw/zinc/07/35/05/956073505.db2.gz	SCKAZVOBCKUARY-VQIMIIECSA-N	1	0	354.458	1.309	20	30		FDEDRO
C[NH+](C)CCOCC(=O)NC[C@]12CCC[C@H]1N(c1ccc(C#N)nc1)CC2	ZINC001092700627	956088966	/nfs/dbraw/zinc/08/89/66/956088966.db2.gz	GNDNXWHSTLKAET-UYAOXDASSA-N	1	0	371.485	1.397	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)c1cn[nH]c(=O)c1	ZINC001092702750	956101825	/nfs/dbraw/zinc/10/18/25/956101825.db2.gz	PFVBAHGYDGWEEY-CXAGYDPISA-N	1	0	351.410	1.552	20	30		FDEDRO
C[NH+](C)[C@@H](C(=O)NC[C@]12CCC[C@H]1N(c1nccnc1C#N)CC2)C1CC1	ZINC001092704840	956116130	/nfs/dbraw/zinc/11/61/30/956116130.db2.gz	PHAXRSOPZJSSJO-MBOZVWFJSA-N	1	0	368.485	1.554	20	30		FDEDRO
CC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1N(c1nccnc1C#N)CC2	ZINC001092706430	956124539	/nfs/dbraw/zinc/12/45/39/956124539.db2.gz	NSCQGBFMCGVCTF-VQIMIIECSA-N	1	0	356.474	1.555	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)[C@H]1CCCC(=O)N1	ZINC001092708220	956134003	/nfs/dbraw/zinc/13/40/03/956134003.db2.gz	XPANERMUCKZGGX-SZVBFZGTSA-N	1	0	371.456	1.530	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@]12CCC[C@H]1N(c1ccc(C#N)nn1)CC2	ZINC001092712828	956150554	/nfs/dbraw/zinc/15/05/54/956150554.db2.gz	MEBCDXRVRPJYII-WRWLIDTKSA-N	1	0	368.485	1.698	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)NC[C@]23CCC[C@H]2N(c2ccnc(C#N)n2)CC3)C1	ZINC001092714879	956161515	/nfs/dbraw/zinc/16/15/15/956161515.db2.gz	LTUURALZSRYSSC-RZQQEMMASA-N	1	0	368.485	1.555	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cncc(F)c2)C[C@H]1C	ZINC001092688802	956192878	/nfs/dbraw/zinc/19/28/78/956192878.db2.gz	ASQHFNXYUXGNSN-SUMDDJOVSA-N	1	0	358.461	1.502	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ncc(C)s2)C[C@H]1C	ZINC001092689686	956197650	/nfs/dbraw/zinc/19/76/50/956197650.db2.gz	PSVFXJBBRPFNRM-OIISXLGYSA-N	1	0	360.527	1.733	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2cnc3ccccn3c2=O)[C@H](C)C1	ZINC001092736312	956226888	/nfs/dbraw/zinc/22/68/88/956226888.db2.gz	PGTJFZROABTPMX-TZMCWYRMSA-N	1	0	360.845	1.745	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CNC(=O)c2cn[nH]n2)[C@H](C)C1	ZINC001092759118	956291966	/nfs/dbraw/zinc/29/19/66/956291966.db2.gz	LQAQLVDVYNYYJE-IUODEOHRSA-N	1	0	354.414	1.183	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@H]1CCC(=O)NC1	ZINC001092760811	956296951	/nfs/dbraw/zinc/29/69/51/956296951.db2.gz	RDECQUBDRYPGIG-UWWQBHOKSA-N	1	0	354.454	1.269	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1CCC(=O)NC1	ZINC001092760880	956298407	/nfs/dbraw/zinc/29/84/07/956298407.db2.gz	SPQHZJYYMVRGLS-BHIYHBOVSA-N	1	0	353.466	1.248	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)c1ccc(C(N)=O)o1	ZINC001092807920	956377523	/nfs/dbraw/zinc/37/75/23/956377523.db2.gz	XAQXFZODTVPTKI-CZUORRHYSA-N	1	0	366.421	1.748	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@]2(C)CN(c3ncccc3C#N)CCO2)CC[N@@H+]1C	ZINC001092776919	956415373	/nfs/dbraw/zinc/41/53/73/956415373.db2.gz	DRPAKSWHCGHXCC-IDHHARJASA-N	1	0	357.458	1.005	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)c1cn(C)c(=O)cn1	ZINC001092841595	956468134	/nfs/dbraw/zinc/46/81/34/956468134.db2.gz	UTJCIOJLHAOEAW-CHWSQXEVSA-N	1	0	371.466	1.211	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)[C@H](C)C1	ZINC001092847985	956488849	/nfs/dbraw/zinc/48/88/49/956488849.db2.gz	JYHYODRBFMCOKE-MKXGPGLRSA-N	1	0	365.518	1.126	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)Cc2cnn(C)c2)C1	ZINC001197349104	972202483	/nfs/dbraw/zinc/20/24/83/972202483.db2.gz	CFPGFKPXPDPFBB-KBAYOESNSA-N	1	0	350.507	1.730	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1	ZINC001092887407	956676709	/nfs/dbraw/zinc/67/67/09/956676709.db2.gz	BUWLUCPKKAFVBG-KBXIAJHMSA-N	1	0	360.437	1.254	20	30		FDEDRO
Cc1cc(C#N)nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C3)n1	ZINC001092887137	956676725	/nfs/dbraw/zinc/67/67/25/956676725.db2.gz	WJAQVTKOVKZREG-QZWWFDLISA-N	1	0	354.458	1.223	20	30		FDEDRO
CCc1nc(C#N)cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C3)n1	ZINC001092861314	956722370	/nfs/dbraw/zinc/72/23/70/956722370.db2.gz	VPVVJQZPODIMEX-UGUYLWEFSA-N	1	0	356.474	1.477	20	30		FDEDRO
C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(Cl)c(C#N)s1	ZINC001092908216	956743739	/nfs/dbraw/zinc/74/37/39/956743739.db2.gz	JIHVJJMCOMWMSI-VWYCJHECSA-N	1	0	353.879	1.846	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[N@@H+](Cc3snnc3C)C[C@H]2C)c1	ZINC001092952879	956888522	/nfs/dbraw/zinc/88/85/22/956888522.db2.gz	UCEZHSKOPOCBKN-MLGOLLRUSA-N	1	0	355.467	1.721	20	30		FDEDRO
C=C1CCC(C(=O)NC[C@@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]2C)CC1	ZINC001092935134	956953880	/nfs/dbraw/zinc/95/38/80/956953880.db2.gz	REKJPXWOJHNCOK-QRQLOZEOSA-N	1	0	360.502	1.675	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2c(C)nnn2CC)C[C@H]1C	ZINC001092977864	956975443	/nfs/dbraw/zinc/97/54/43/956975443.db2.gz	MMKWUBRPOLAQLR-IIVZCXTMSA-N	1	0	361.490	1.382	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C	ZINC001092973168	957034694	/nfs/dbraw/zinc/03/46/94/957034694.db2.gz	UDPRGHGAAULVQZ-RSPOEFSDSA-N	1	0	367.493	1.447	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@H]1C	ZINC001093049496	957219502	/nfs/dbraw/zinc/21/95/02/957219502.db2.gz	UJAWGOWZTSAJMI-NWGLXNPWSA-N	1	0	358.486	1.950	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@H+](CC3CC(OCC)C3)C[C@H]2C)nn1	ZINC001093035128	957252302	/nfs/dbraw/zinc/25/23/02/957252302.db2.gz	OJHDCGNFIKPQPI-KZYLPZIUSA-N	1	0	361.490	1.577	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@H+]([C@H](C)c3cnccn3)C[C@H]2C)nn1	ZINC001093034950	957252854	/nfs/dbraw/zinc/25/28/54/957252854.db2.gz	GXMGCRAFBJCQJX-RBSFLKMASA-N	1	0	355.446	1.313	20	30		FDEDRO
N#Cc1ccc(N2C[C@@H]3CCC[C@]3(NC(=O)CCC[NH+]3CCCC3)C2)nn1	ZINC001093087703	957372206	/nfs/dbraw/zinc/37/22/06/957372206.db2.gz	OTNUPSJDMRZOJG-JXFKEZNVSA-N	1	0	368.485	1.699	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1C[C@@H]2CCC[C@]2(CNc2ccnc(C#N)n2)C1	ZINC001093124108	957587305	/nfs/dbraw/zinc/58/73/05/957587305.db2.gz	OWVXVHRSAXAWEH-KXBFYZLASA-N	1	0	356.474	1.153	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]2C)nc1	ZINC001093142905	957639777	/nfs/dbraw/zinc/63/97/77/957639777.db2.gz	IBQLEEJHHNEDOF-SUMDDJOVSA-N	1	0	368.481	1.370	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1C	ZINC001093143380	957641899	/nfs/dbraw/zinc/64/18/99/957641899.db2.gz	DJELZUJGCNPZLV-KZNAEPCWSA-N	1	0	371.481	1.960	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)c3[nH]cnc3CC)[C@H](C)C2)C1=O	ZINC001093165665	957718711	/nfs/dbraw/zinc/71/87/11/957718711.db2.gz	CZUVNIBRUBKJON-FMKPAKJESA-N	1	0	359.474	1.057	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(CC)nn(C)c2Cl)C1	ZINC001197559211	972302438	/nfs/dbraw/zinc/30/24/38/972302438.db2.gz	PEEGYDALMKTBRK-MRVWCRGKSA-N	1	0	354.882	1.766	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3cccnc3)C[C@H]2C)C1=O	ZINC001093273059	957941919	/nfs/dbraw/zinc/94/19/19/957941919.db2.gz	YUSBQUCGORKWRK-KBAYOESNSA-N	1	0	356.470	1.556	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3cc[nH]c3C)C[C@H]2C)C1=O	ZINC001093273919	957944094	/nfs/dbraw/zinc/94/40/94/957944094.db2.gz	JGVSSSLZDGLLIQ-KYJSFNMBSA-N	1	0	358.486	1.798	20	30		FDEDRO
CC#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC1	ZINC001093378862	958017682	/nfs/dbraw/zinc/01/76/82/958017682.db2.gz	VDZGKISRNWGDQE-QYZOEREBSA-N	1	0	371.525	1.827	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1	ZINC001093378316	958018018	/nfs/dbraw/zinc/01/80/18/958018018.db2.gz	NJYJRLRFGPNIOC-OWCLPIDISA-N	1	0	365.905	1.953	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)n(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093432733	958058754	/nfs/dbraw/zinc/05/87/54/958058754.db2.gz	FEUDISJUANIWLH-FTEYMNFISA-N	1	0	360.502	1.884	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cc[nH]n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093439399	958073957	/nfs/dbraw/zinc/07/39/57/958073957.db2.gz	MENOFMOEMRJOGR-LMSBXDPUSA-N	1	0	366.893	1.671	20	30		FDEDRO
Cc1oncc1C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C#CC3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093443518	958085137	/nfs/dbraw/zinc/08/51/37/958085137.db2.gz	RIVPAWRVVMRRHZ-UKAVVXHISA-N	1	0	371.481	1.863	20	30		FDEDRO
Cc1cc(C[NH2+][C@@H]2C[C@]3(CN(C(=O)C#CC4CC4)[C@@H]3C(C)C)C[C@H]2O)on1	ZINC001093443569	958085598	/nfs/dbraw/zinc/08/55/98/958085598.db2.gz	RQSXSGRKLWEXKL-VURPSTOHSA-N	1	0	371.481	1.863	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3nnc(C)o3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093443923	958088134	/nfs/dbraw/zinc/08/81/34/958088134.db2.gz	WMHPVLYXMOXGNY-RGCFKVTRSA-N	1	0	362.474	1.463	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(OCC)nc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093445213	958090809	/nfs/dbraw/zinc/09/08/09/958090809.db2.gz	BDBPKEZPROXSIA-REHHDOPLSA-N	1	0	371.481	1.693	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(OC)no3)[C@H]2C(C)C)C[C@H]1O	ZINC001093445800	958092526	/nfs/dbraw/zinc/09/25/26/958092526.db2.gz	YYHVMTBQZWKCLZ-GNSPCKGOSA-N	1	0	363.458	1.839	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(OC)no3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093445798	958092655	/nfs/dbraw/zinc/09/26/55/958092655.db2.gz	YYHVMTBQZWKCLZ-BCXHYRKLSA-N	1	0	363.458	1.839	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccn(CC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093446341	958093939	/nfs/dbraw/zinc/09/39/39/958093939.db2.gz	HHEQBWSXQAUELU-IZBJGVDFSA-N	1	0	360.502	1.598	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(Cl)cnn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093446743	958096717	/nfs/dbraw/zinc/09/67/17/958096717.db2.gz	LJNFWMGCHRUILE-DEICHXMPSA-N	1	0	364.877	1.286	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccn(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093447102	958097588	/nfs/dbraw/zinc/09/75/88/958097588.db2.gz	QUYGEWYALBJMJP-HNBVOPMISA-N	1	0	360.502	1.505	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn4c(n3)CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093447541	958100509	/nfs/dbraw/zinc/10/05/09/958100509.db2.gz	XHZVGPUIPUOSRH-GNUPYSACSA-N	1	0	358.486	1.595	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nn(C)cc3Cl)[C@@H]2C(C)C)C[C@H]1O	ZINC001093447647	958101689	/nfs/dbraw/zinc/10/16/89/958101689.db2.gz	XUZVDWQLEKNXGK-GZOSKZMVSA-N	1	0	364.877	1.286	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)nnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093449794	958117807	/nfs/dbraw/zinc/11/78/07/958117807.db2.gz	QLMJFTGCZYJFEL-SOAMZJECSA-N	1	0	356.470	1.306	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C4CC4)nn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093449831	958119062	/nfs/dbraw/zinc/11/90/62/958119062.db2.gz	QQJMPBKNSNBRAZ-VELGLUOQSA-N	1	0	370.497	1.510	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(C(N)=O)cc3)C[C@H]21	ZINC000962017788	1013167322	/nfs/dbraw/zinc/16/73/22/1013167322.db2.gz	NQLRICHSCYJROP-QTMHVTGLSA-N	1	0	369.465	1.313	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C)nc3OC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093459923	958185892	/nfs/dbraw/zinc/18/58/92/958185892.db2.gz	NOLUTVKEXVJDHI-YKTARERQSA-N	1	0	362.474	1.194	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn[nH]n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093460040	958185962	/nfs/dbraw/zinc/18/59/62/958185962.db2.gz	XPPPTZNTGUESMB-XKVFNRALSA-N	1	0	353.854	1.137	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3cncs3)[C@H]2C(C)C)C[C@H]1O	ZINC001093464694	958200630	/nfs/dbraw/zinc/20/06/30/958200630.db2.gz	GLBDHNDIBPROIY-FPAYPSAMSA-N	1	0	361.511	1.675	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncc(OC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093466575	958210232	/nfs/dbraw/zinc/21/02/32/958210232.db2.gz	NYWWJNGMJBMVKQ-VWMOJTHMSA-N	1	0	360.458	1.251	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(CC)nn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093469572	958221882	/nfs/dbraw/zinc/22/18/82/958221882.db2.gz	IBLNRZURGHZRHL-DLVXIWMQSA-N	1	0	360.502	1.748	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cncn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093472033	958237289	/nfs/dbraw/zinc/23/72/89/958237289.db2.gz	HYYMMRFWTFFWQQ-JYBIWHBTSA-N	1	0	360.502	1.505	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH]nc3C3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093472667	958240308	/nfs/dbraw/zinc/24/03/08/958240308.db2.gz	MEEXQJVEIRJEEN-ZTRFORPCSA-N	1	0	356.470	1.500	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COc3ccccc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093473414	958244075	/nfs/dbraw/zinc/24/40/75/958244075.db2.gz	NWJMBDLKUILIBH-RMVXJAJNSA-N	1	0	356.466	1.665	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc4nccn4c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093473727	958245188	/nfs/dbraw/zinc/24/51/88/958245188.db2.gz	RWDKITKDIOFSMJ-ZJSJBZJDSA-N	1	0	366.465	1.547	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc(N(C)C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093474178	958247592	/nfs/dbraw/zinc/24/75/92/958247592.db2.gz	QPFCVQXEPXTTEF-VMBXEPDQSA-N	1	0	369.509	1.966	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)c3cnc[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093474621	958248225	/nfs/dbraw/zinc/24/82/25/958248225.db2.gz	SWFAMLZMCNFNDU-RNKNFESXSA-N	1	0	358.486	1.287	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)onc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093476565	958254630	/nfs/dbraw/zinc/25/46/30/958254630.db2.gz	CPAZBONHHCTECI-CIWUYKSXSA-N	1	0	359.470	1.758	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn4cccnc4n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093452610	958257992	/nfs/dbraw/zinc/25/79/92/958257992.db2.gz	LKYWECDOUUBFHW-DFYYWFRZSA-N	1	0	369.469	1.495	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccn(C)c(=O)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093452831	958259215	/nfs/dbraw/zinc/25/92/15/958259215.db2.gz	OMCGRECOYUNAGG-HBXLWWENSA-N	1	0	359.470	1.151	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH]c(=O)n3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093455350	958272863	/nfs/dbraw/zinc/27/28/63/958272863.db2.gz	MFBVOMPNKVVRTH-ZIGSKRJUSA-N	1	0	362.474	1.282	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C(C)C)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093455374	958273419	/nfs/dbraw/zinc/27/34/19/958273419.db2.gz	MKCKMHVMTGABHV-UIXUWTQFSA-N	1	0	358.486	1.677	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3coc(C(N)=O)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093456113	958276418	/nfs/dbraw/zinc/27/64/18/958276418.db2.gz	VMSHFRDOHGDJFY-GTACMHHNSA-N	1	0	361.442	1.144	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccn4ccnc4c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093457714	958281268	/nfs/dbraw/zinc/28/12/68/958281268.db2.gz	KZUVHJWBGQPSOE-PLOVASNDSA-N	1	0	366.465	1.547	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3cncnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093457954	958281328	/nfs/dbraw/zinc/28/13/28/958281328.db2.gz	LZRHWUJEQIQPCB-JYBIWHBTSA-N	1	0	356.470	1.009	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccnc3OCC)[C@H]2C(C)C)C[C@H]1O	ZINC001093478028	958291993	/nfs/dbraw/zinc/29/19/93/958291993.db2.gz	OVRLGFBDIFOOHH-DCXXXQMHSA-N	1	0	371.481	1.693	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)n(C)c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093478553	958294848	/nfs/dbraw/zinc/29/48/48/958294848.db2.gz	RBMPNCGSUWMXLV-WERVVEIQSA-N	1	0	357.498	1.855	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccccc3OC)[C@H]2C(C)C)C[C@H]1O	ZINC001093480429	958302728	/nfs/dbraw/zinc/30/27/28/958302728.db2.gz	ZRCQWCCXJQWAFQ-UBBRYJJRSA-N	1	0	370.493	1.837	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(C)c3ccccc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093482031	958308891	/nfs/dbraw/zinc/30/88/91/958308891.db2.gz	ZMNUETVLYVKLNN-KRXUUXHPSA-N	1	0	369.509	1.722	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CNC(=O)C2CCC2)C3)cc1	ZINC001110145999	958314454	/nfs/dbraw/zinc/31/44/54/958314454.db2.gz	FEJBIDIVBLHJKR-QYZOEREBSA-N	1	0	366.465	1.696	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001093639428	958406616	/nfs/dbraw/zinc/40/66/16/958406616.db2.gz	MZWQDXUUJWZCML-RHSMWYFYSA-N	1	0	370.432	1.563	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093639439	958406688	/nfs/dbraw/zinc/40/66/88/958406688.db2.gz	NNAYBAPEFJRQPV-CRAIPNDOSA-N	1	0	352.442	1.424	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001093674977	958522269	/nfs/dbraw/zinc/52/22/69/958522269.db2.gz	BUAYJZDISNJDCQ-SRCQZFHVSA-N	1	0	358.417	1.160	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001093675611	958523083	/nfs/dbraw/zinc/52/30/83/958523083.db2.gz	QOFIFARKXPWPLM-SRCQZFHVSA-N	1	0	358.417	1.160	20	30		FDEDRO
Cc1c(-c2cc(C[NH2+]C[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C)on2)cnn1C	ZINC001093677820	958529835	/nfs/dbraw/zinc/52/98/35/958529835.db2.gz	FFJVTOMHQVHRBR-GZBFAFLISA-N	1	0	370.457	1.727	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3cnccc3C)C[C@H]2C)C1=O	ZINC001093690695	958550348	/nfs/dbraw/zinc/55/03/48/958550348.db2.gz	BWHVIDWLZDFLMS-NUJGCVRESA-N	1	0	356.470	1.475	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093691225	958553335	/nfs/dbraw/zinc/55/33/35/958553335.db2.gz	NTJGTZVUENMQCE-CPUCHLNUSA-N	1	0	362.499	1.134	20	30		FDEDRO
COc1ccnc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)c1	ZINC001093722531	958598334	/nfs/dbraw/zinc/59/83/34/958598334.db2.gz	MHAFJAOAJGIAII-ZIAGYGMSSA-N	1	0	353.426	1.788	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1ccc2nonc2c1	ZINC001093725863	958610596	/nfs/dbraw/zinc/61/05/96/958610596.db2.gz	HZAVZSAUYIYMHI-IUODEOHRSA-N	1	0	364.409	1.920	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3ccc(F)cn3)C[C@H]2C)C1=O	ZINC001093731108	958628686	/nfs/dbraw/zinc/62/86/86/958628686.db2.gz	GZDGEVJBRDTHAQ-CKEIUWERSA-N	1	0	360.433	1.305	20	30		FDEDRO
CCn1nncc1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1	ZINC001093756194	958687482	/nfs/dbraw/zinc/68/74/82/958687482.db2.gz	GUSSZIXSFDNCHI-RHSMWYFYSA-N	1	0	352.442	1.668	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@H]2C)cc1C#N	ZINC001093759357	958693835	/nfs/dbraw/zinc/69/38/35/958693835.db2.gz	XNUFFLOGJAFFEF-CZUORRHYSA-N	1	0	353.426	1.788	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1nnnn1-c1ccccc1	ZINC001093762172	958700560	/nfs/dbraw/zinc/70/05/60/958700560.db2.gz	UTLNZWKEKWXJQC-NVXWUHKLSA-N	1	0	364.453	1.260	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1cn(C)nc1C(F)F	ZINC001093763975	958705230	/nfs/dbraw/zinc/70/52/30/958705230.db2.gz	HJWUXEVARXVIHV-TZMCWYRMSA-N	1	0	350.413	1.955	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093804459	958840285	/nfs/dbraw/zinc/84/02/85/958840285.db2.gz	LXUHNSIFBQPOBP-FHLIZLRMSA-N	1	0	354.454	1.221	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093857432	959015088	/nfs/dbraw/zinc/01/50/88/959015088.db2.gz	FXQVMQBXOSLILK-XNFNUYLZSA-N	1	0	370.497	1.461	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3ccnn3)cc2)C1	ZINC001197733004	972401671	/nfs/dbraw/zinc/40/16/71/972401671.db2.gz	VLXBLWHJMDYAKE-BMGDILEWSA-N	1	0	355.442	1.397	20	30		FDEDRO
C[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093888362	959139041	/nfs/dbraw/zinc/13/90/41/959139041.db2.gz	FCHJHWBRVMQEGU-CRAIPNDOSA-N	1	0	369.469	1.158	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CCc3ccon3)C[C@H]2C)C1=O	ZINC001093918026	959205865	/nfs/dbraw/zinc/20/58/65/959205865.db2.gz	MKLODTLCUYQYIT-INMHGKMJSA-N	1	0	360.458	1.078	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)c2csnn2)C[C@H]1C	ZINC001093946970	959316435	/nfs/dbraw/zinc/31/64/35/959316435.db2.gz	PKQPQDZIBKSUPL-IUODEOHRSA-N	1	0	371.466	1.916	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCOc3ccccc32)C1	ZINC001197812033	972419788	/nfs/dbraw/zinc/41/97/88/972419788.db2.gz	FJECZUUJUZSMPW-HLIPFELVSA-N	1	0	360.454	1.091	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001094023186	959543080	/nfs/dbraw/zinc/54/30/80/959543080.db2.gz	LMLSZODUKPPHPU-UKRRQHHQSA-N	1	0	371.416	1.949	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3nc(CC)no3)[C@H](C)C2)c1	ZINC001094028136	959550500	/nfs/dbraw/zinc/55/05/00/959550500.db2.gz	SITHPBWIFQPAKY-CZUORRHYSA-N	1	0	353.426	1.506	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(OC)nc3)[C@H](C)C2)c1	ZINC001094028987	959551788	/nfs/dbraw/zinc/55/17/88/959551788.db2.gz	NXUXRHQDZNAEAZ-DNVCBOLYSA-N	1	0	364.449	1.964	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCCC(=O)N2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001094035977	959575004	/nfs/dbraw/zinc/57/50/04/959575004.db2.gz	XZYMYJAQMMZUNK-ATZDWAIDSA-N	1	0	368.481	1.801	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C3(CF)CCC3)C[C@H]2C)C1=O	ZINC001094055865	959649614	/nfs/dbraw/zinc/64/96/14/959649614.db2.gz	JBEVKQHWYKSGKW-OAGGEKHMSA-N	1	0	351.466	1.597	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001094016896	959660703	/nfs/dbraw/zinc/66/07/03/959660703.db2.gz	ZCBFOUXLRLSBFP-CZUORRHYSA-N	1	0	353.426	1.495	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3nnnn3C3CC3)[C@H](C)C2)CC1	ZINC001094017652	959661281	/nfs/dbraw/zinc/66/12/81/959661281.db2.gz	AIBRTESYUZFUES-GDBMZVCRSA-N	1	0	358.490	1.939	20	30		FDEDRO
C[C@@H]1CN(C(=O)COC2CCOCC2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001094082637	959732375	/nfs/dbraw/zinc/73/23/75/959732375.db2.gz	YCKVEAAVGUNWSB-VQIMIIECSA-N	1	0	371.481	1.938	20	30		FDEDRO
COc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)s3)[C@H](C)C2)n1	ZINC001094090647	959752339	/nfs/dbraw/zinc/75/23/39/959752339.db2.gz	AXVBBEIUSJSZIF-CHWSQXEVSA-N	1	0	371.466	1.916	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ncccn3)[C@H](C)C2)cc1	ZINC001094093559	959763662	/nfs/dbraw/zinc/76/36/62/959763662.db2.gz	XHQJIUTUTBPRIW-SJLPKXTDSA-N	1	0	364.449	1.987	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)s3)[C@H](C)C2)nn1	ZINC001094095085	959770617	/nfs/dbraw/zinc/77/06/17/959770617.db2.gz	DRJPWGBEMNLLKS-ZIAGYGMSSA-N	1	0	370.482	1.895	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnnn2C)[C@H](C)C1	ZINC001094098637	959779362	/nfs/dbraw/zinc/77/93/62/959779362.db2.gz	KRAUKMZJLMPCNF-LMSBXDPUSA-N	1	0	361.490	1.371	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]C[C@H]3CCCCO3)[C@H](C)C2)nn1	ZINC001094099512	959782751	/nfs/dbraw/zinc/78/27/51/959782751.db2.gz	FRECJURJZRCPOA-BRWVUGGUSA-N	1	0	361.490	1.721	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ncccn2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001094125596	959830558	/nfs/dbraw/zinc/83/05/58/959830558.db2.gz	SNKGJUPEOZAGJO-CZUORRHYSA-N	1	0	353.401	1.985	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CCn3cccc3)C[C@H]2C)C1=O	ZINC001094133988	959858843	/nfs/dbraw/zinc/85/88/43/959858843.db2.gz	CSMZWSVKISMSDZ-KZNAEPCWSA-N	1	0	358.486	1.349	20	30		FDEDRO
CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)cc3F)[C@H](C)C2)nn1	ZINC001094138862	959877715	/nfs/dbraw/zinc/87/77/15/959877715.db2.gz	VLWMRKSSCLOLSG-CZUORRHYSA-N	1	0	370.432	1.807	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nnc(C4CC4)[nH]3)[C@H](C)C2)cn1	ZINC001094174253	959976259	/nfs/dbraw/zinc/97/62/59/959976259.db2.gz	BENGVUPBBZNUDF-CZUORRHYSA-N	1	0	364.453	1.556	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)c3nc(C)no3)[C@H](C)C2)nc1	ZINC001094174332	959977299	/nfs/dbraw/zinc/97/72/99/959977299.db2.gz	GYNNERBNUODGDA-DVOMOZLQSA-N	1	0	353.426	1.813	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](C)c3nncn3C)[C@H](C)C2)cn1	ZINC001094174762	959978829	/nfs/dbraw/zinc/97/88/29/959978829.db2.gz	SADRHDWEQQUIFY-IIAWOOMASA-N	1	0	352.442	1.250	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]C[C@H]2CCOC2)[C@H](C)C1	ZINC001094176427	959981791	/nfs/dbraw/zinc/98/17/91/959981791.db2.gz	KCZJSMUTYMLAKH-BRWVUGGUSA-N	1	0	357.454	1.428	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001094177136	959984132	/nfs/dbraw/zinc/98/41/32/959984132.db2.gz	MOVATVYRYQKGFX-KYJSFNMBSA-N	1	0	370.453	1.052	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C	ZINC001094206292	960001997	/nfs/dbraw/zinc/00/19/97/960001997.db2.gz	DJRKLURRVOOYMQ-RHSMWYFYSA-N	1	0	368.441	1.043	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]Cc2cn(CC)nn2)[C@H](C)C1	ZINC001094187976	960068172	/nfs/dbraw/zinc/06/81/72/960068172.db2.gz	BQXMEDOZAWXYNX-VQIMIIECSA-N	1	0	365.481	1.706	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]Cc2nc(C)no2)[C@H](C)C1	ZINC001094188221	960068750	/nfs/dbraw/zinc/06/87/50/960068750.db2.gz	KAFPXTUNPZNRNX-RDTXWAMCSA-N	1	0	352.438	1.786	20	30		FDEDRO
C=C[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2cnnn2C)[C@H](C)C1)c1ccccc1	ZINC001094236874	960148180	/nfs/dbraw/zinc/14/81/80/960148180.db2.gz	UFGSPCWSEJMPMN-SZVBFZGTSA-N	1	0	353.470	1.969	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cn(C)nn2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001094258673	960235944	/nfs/dbraw/zinc/23/59/44/960235944.db2.gz	RRPOFLFNURAVLO-CRAIPNDOSA-N	1	0	366.469	1.504	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC[C@H](C)O	ZINC001110155905	960269878	/nfs/dbraw/zinc/26/98/78/960269878.db2.gz	FFVRZPDKFWUXLF-FZKCQIBNSA-N	1	0	366.506	1.133	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@]3(CNC(=O)c4ccn[nH]4)CCC[C@@H]23)C1=O	ZINC001094366482	960324903	/nfs/dbraw/zinc/32/49/03/960324903.db2.gz	CVNYYGNWFRJRIP-GPMSIDNRSA-N	1	0	357.458	1.171	20	30		FDEDRO
CN(C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH]c(C#N)c3)CCC[C@@H]12)C1CC1	ZINC001094393681	960340921	/nfs/dbraw/zinc/34/09/21/960340921.db2.gz	QWRTUOBWMCHBHT-YLJYHZDGSA-N	1	0	369.469	1.482	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cn(CCOC)nc3C)CCC[C@@H]12	ZINC001094415055	960403820	/nfs/dbraw/zinc/40/38/20/960403820.db2.gz	LCYIXGLSEUWQCK-UYAOXDASSA-N	1	0	358.486	1.836	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@]3(CNC(=O)c4cc[nH]c4)CCC[C@@H]23)C1=O	ZINC001094422928	960419957	/nfs/dbraw/zinc/41/99/57/960419957.db2.gz	IODHUOYPBDORSQ-MBOZVWFJSA-N	1	0	356.470	1.776	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4c(c3)NC(=O)CO4)CCC[C@@H]12	ZINC001094459484	960561554	/nfs/dbraw/zinc/56/15/54/960561554.db2.gz	MONUDENBABDZNV-OXQOHEQNSA-N	1	0	368.437	1.410	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cncc(-n4ccnn4)c3)CCC[C@@H]12	ZINC001094478915	960655427	/nfs/dbraw/zinc/65/54/27/960655427.db2.gz	PXYYKEJAEAGEMX-IEBWSBKVSA-N	1	0	350.426	1.270	20	30		FDEDRO
NC(=NOCC(=O)NC1CCCC1)c1ccccc1C[NH+]1CCC(O)CC1	ZINC000104054385	972526947	/nfs/dbraw/zinc/52/69/47/972526947.db2.gz	VRSKDNLJNCARNP-UHFFFAOYSA-N	1	0	374.485	1.339	20	30		FDEDRO
C#C[C@H](NCC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)[C@@H]1CCCO1	ZINC000775794169	972528866	/nfs/dbraw/zinc/52/88/66/972528866.db2.gz	PVCHUSDYICZLCZ-SFTDATJTSA-N	1	0	369.509	1.800	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C(N)=O)c[nH]3)CCC[C@@H]12	ZINC001094546921	960799730	/nfs/dbraw/zinc/79/97/30/960799730.db2.gz	YXGFLTKDPMSKAD-RHSMWYFYSA-N	1	0	350.850	1.841	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4c(c3)C(=O)NC4=O)CCC[C@@H]12	ZINC001094563778	960825718	/nfs/dbraw/zinc/82/57/18/960825718.db2.gz	NOSXAAQTGSHDTO-DYESRHJHSA-N	1	0	365.433	1.568	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCS3(=O)=O)CCC[C@@H]12	ZINC001094581672	960879299	/nfs/dbraw/zinc/87/92/99/960879299.db2.gz	CPICTJHIRXWWSX-LZLYRXPVSA-N	1	0	354.516	1.891	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C[C@H](O)COC)C1	ZINC001181525065	960904808	/nfs/dbraw/zinc/90/48/08/960904808.db2.gz	CYGMWXBLVVNUBP-OYNZLANYSA-N	1	0	354.491	1.049	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc(OCC4CC4)cn3)CCC[C@@H]12	ZINC001094559135	960914522	/nfs/dbraw/zinc/91/45/22/960914522.db2.gz	FBYSAGHCQZCHGN-YLJYHZDGSA-N	1	0	354.454	1.873	20	30		FDEDRO
C#C[C@H](C)N(C)C(=O)C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1	ZINC000773944029	961091628	/nfs/dbraw/zinc/09/16/28/961091628.db2.gz	VPCIBOSOIKOODF-KRWDZBQOSA-N	1	0	370.497	1.944	20	30		FDEDRO
C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1	ZINC000773945773	961103955	/nfs/dbraw/zinc/10/39/55/961103955.db2.gz	XYLKDASGVLTDBF-INIZCTEOSA-N	1	0	357.454	1.970	20	30		FDEDRO
C=C(C)CC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3OCC[C@H]3C(C)C)CC2=O)C1	ZINC001094738784	961133830	/nfs/dbraw/zinc/13/38/30/961133830.db2.gz	NXMIHMYBDSPQTC-AYBZRNKSSA-N	1	0	363.502	1.415	20	30		FDEDRO
C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1	ZINC000773948153	961187791	/nfs/dbraw/zinc/18/77/91/961187791.db2.gz	JGSAIGSNBKKYTG-OAHLLOKOSA-N	1	0	356.470	1.636	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccnn1C	ZINC001171884950	961340712	/nfs/dbraw/zinc/34/07/12/961340712.db2.gz	XTVRKMJAJWKTFK-ARFHVFGLSA-N	1	0	361.490	1.090	20	30		FDEDRO
CC(=O)N1CCO[C@]2(C1)COCC[N@@H+]([C@@H](C)Cc1ccc(C#N)cc1)C2	ZINC001172304923	961616369	/nfs/dbraw/zinc/61/63/69/961616369.db2.gz	BLOTWGGJEPWASC-OXJNMPFZSA-N	1	0	357.454	1.439	20	30		FDEDRO
CC(=O)N1CC2(C1)C[N@H+]([C@H](C)Cc1ccc(C#N)cc1)C[C@H]2C(=O)N(C)C	ZINC001172317567	961620269	/nfs/dbraw/zinc/62/02/69/961620269.db2.gz	RUJCJBMVQCFGCS-BEFAXECRSA-N	1	0	368.481	1.358	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)CC1	ZINC000954095560	1013277511	/nfs/dbraw/zinc/27/75/11/1013277511.db2.gz	KNIOVBWRIGHGNO-JQHSSLGASA-N	1	0	363.502	1.369	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(-n3ccnc3)cc2)c1C#N	ZINC001182252830	961658026	/nfs/dbraw/zinc/65/80/26/961658026.db2.gz	JTFGLSINUZFFLZ-UHFFFAOYSA-N	1	0	363.425	1.800	20	30		FDEDRO
C#CCCN1CCC[C@@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C(=O)C2)C1=O	ZINC001172664345	961742926	/nfs/dbraw/zinc/74/29/26/961742926.db2.gz	MTVLKIDGUYHJMS-RTBURBONSA-N	1	0	353.466	1.782	20	30		FDEDRO
CCOC(=O)[C@H](CCC[NH3+])N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1	ZINC001172969475	961856465	/nfs/dbraw/zinc/85/64/65/961856465.db2.gz	WRRGURZFAJDRCG-KKUMJFAQSA-N	1	0	368.478	1.538	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@](C)(CO)[C@@H](O)C2)C[C@H]1C#N	ZINC001172981067	961863705	/nfs/dbraw/zinc/86/37/05/961863705.db2.gz	SDHHJAPXZPFNTO-YRBFXIGRSA-N	1	0	353.463	1.343	20	30		FDEDRO
CC(=O)N1C[C@@H]2C[C@]2([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1	ZINC001173422606	962120790	/nfs/dbraw/zinc/12/07/90/962120790.db2.gz	SRVMHHOCZVMNLU-PXNSSMCTSA-N	1	0	352.438	1.373	20	30		FDEDRO
C[NH+](C)C[C@H]1CN(C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CCO1	ZINC001173430800	962148213	/nfs/dbraw/zinc/14/82/13/962148213.db2.gz	ZQSVQINUKACSBS-IBGZPJMESA-N	1	0	356.470	1.425	20	30		FDEDRO
C=CCN1CCN(C)C2(CC[NH+]([C@@H](C)CCCCC(=O)OC)CC2)C1=O	ZINC001173452653	962181614	/nfs/dbraw/zinc/18/16/14/962181614.db2.gz	UGJOYJNPXHHICN-KRWDZBQOSA-N	1	0	365.518	1.903	20	30		FDEDRO
C=C(C)C(=O)OCC[NH2+][C@@H]1CCN(C(=O)c2ccccc2)[C@H](C(=O)OC)C1	ZINC001173504775	962219540	/nfs/dbraw/zinc/21/95/40/962219540.db2.gz	WKUQAZFTWMNTIM-SJORKVTESA-N	1	0	374.437	1.542	20	30		FDEDRO
CC[C@@H]1OCC[C@H]1C(=O)NC1(CCOC)CC[NH+](CC#CCOC)CC1	ZINC001151242633	962266156	/nfs/dbraw/zinc/26/61/56/962266156.db2.gz	SGZJPXKNESFBIW-MSOLQXFVSA-N	1	0	366.502	1.439	20	30		FDEDRO
C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C[C@H]1C	ZINC001182598738	962352786	/nfs/dbraw/zinc/35/27/86/962352786.db2.gz	IQYGUWQYWPSAAQ-PDOICOKGSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2nncs2)C1	ZINC001182669040	962378704	/nfs/dbraw/zinc/37/87/04/962378704.db2.gz	BQLCSGPMWWRKGM-VWPFQQQWSA-N	1	0	350.488	1.703	20	30		FDEDRO
COCC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@H]1C	ZINC001182669372	962379418	/nfs/dbraw/zinc/37/94/18/962379418.db2.gz	NTXBYSHRVYBHME-WOCWXWTJSA-N	1	0	358.486	1.248	20	30		FDEDRO
COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCCN(O)C2=O)c(OC)c1	ZINC001182674228	962384942	/nfs/dbraw/zinc/38/49/42/962384942.db2.gz	DIWCHZQFBXTDFD-RISCZKNCSA-N	1	0	351.403	1.391	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NC)C1	ZINC001182846947	962559751	/nfs/dbraw/zinc/55/97/51/962559751.db2.gz	UEWOIGPYSVKEII-WXSAJPJJSA-N	1	0	351.491	1.178	20	30		FDEDRO
C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C[C@H]1C	ZINC001182869910	962616015	/nfs/dbraw/zinc/61/60/15/962616015.db2.gz	YYSJEBYOOXZHNG-UKHYVGRKSA-N	1	0	370.497	1.861	20	30		FDEDRO
CN1CCN(c2ncc(NC(=O)COc3ccc(C#N)cc3)cn2)CC1	ZINC001182914161	962657958	/nfs/dbraw/zinc/65/79/58/962657958.db2.gz	MUZOGZUGZZVKBT-UHFFFAOYSA-N	1	0	352.398	1.118	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1	ZINC001183042996	962754557	/nfs/dbraw/zinc/75/45/57/962754557.db2.gz	JFOKMGGQLRZGGA-SCTDSRPQSA-N	1	0	361.486	1.267	20	30		FDEDRO
Cn1cnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(OCC#N)cc2)c1	ZINC001095310369	962888231	/nfs/dbraw/zinc/88/82/31/962888231.db2.gz	RTJPEMVCUHHVNB-AYBZRNKSSA-N	1	0	365.437	1.858	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1	ZINC000773415383	962963856	/nfs/dbraw/zinc/96/38/56/962963856.db2.gz	BUYFIWPYRSFXIG-CVEARBPZSA-N	1	0	357.454	1.968	20	30		FDEDRO
C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1	ZINC001175237347	963103633	/nfs/dbraw/zinc/10/36/33/963103633.db2.gz	PQMYVGLFSNIBPF-FGTMMUONSA-N	1	0	363.502	1.444	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CCN(C(=O)[C@@H]3CCN(c4cc[nH+]cc4)C3)C2)nc1	ZINC001183611690	963143507	/nfs/dbraw/zinc/14/35/07/963143507.db2.gz	OQIJUWLOYLUZAR-AEFFLSMTSA-N	1	0	363.421	1.854	20	30		FDEDRO
C[C@](CO)([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1cccc([N+](=O)[O-])c1	ZINC001175323807	963148123	/nfs/dbraw/zinc/14/81/23/963148123.db2.gz	PZLVVRIFSJDYOA-IAGOWNOFSA-N	1	0	363.414	1.463	20	30		FDEDRO
N#Cc1ccccc1CN1CCCC[C@H]1C(=O)N1CCC2(C1)OCCO2	ZINC001183831685	963301151	/nfs/dbraw/zinc/30/11/51/963301151.db2.gz	PFFYWEODJFFEEY-SFHVURJKSA-N	1	0	355.438	1.888	20	30		FDEDRO
N#Cc1ccccc1CN1CCCC[C@H]1C(=O)n1cnc(C[NH3+])cc1=N	ZINC001183838926	963305873	/nfs/dbraw/zinc/30/58/73/963305873.db2.gz	NZVFCQBTLMINFX-KRWDZBQOSA-N	1	0	350.426	1.388	20	30		FDEDRO
CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CN(c4cccc(C#N)c4)C(=O)O3)C[C@H]2C1	ZINC001184382568	963569540	/nfs/dbraw/zinc/56/95/40/963569540.db2.gz	XCTLVTANIQJLRH-JZXOWHBKSA-N	1	0	368.437	1.684	20	30		FDEDRO
C=C1CC(C)(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)C1	ZINC001184782925	963717088	/nfs/dbraw/zinc/71/70/88/963717088.db2.gz	MDSXYXGWQNNOOD-UHFFFAOYSA-N	1	0	362.518	1.040	20	30		FDEDRO
C#CC[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO)c1ccccc1	ZINC001110201711	963722653	/nfs/dbraw/zinc/72/26/53/963722653.db2.gz	PUQCONMDSAOXSS-CGXNFDGLSA-N	1	0	370.493	1.914	20	30		FDEDRO
CO/N=C(\C(=O)N1CCC(COCC[NH+]2CCCC2)CC1)c1ccco1	ZINC001177348130	963792895	/nfs/dbraw/zinc/79/28/95/963792895.db2.gz	DGMDMRBBWNBUCZ-ZZEZOPTASA-N	1	0	363.458	1.981	20	30		FDEDRO
C=CC[C@H](CO)C[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl	ZINC000774828614	963801573	/nfs/dbraw/zinc/80/15/73/963801573.db2.gz	WGEWGQQORHDRKT-STQMWFEESA-N	1	0	361.895	1.479	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CCC[NH2+][C@@H](C)C(N)=O)CC1CCCC1	ZINC001177423585	963824972	/nfs/dbraw/zinc/82/49/72/963824972.db2.gz	FCLXNQUTEDAFIB-UAGQMJEPSA-N	1	0	351.491	1.450	20	30		FDEDRO
CC1(C)CCCC[C@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N	ZINC001110207810	963848892	/nfs/dbraw/zinc/84/88/92/963848892.db2.gz	UANAGPXZMLWWPM-YVSFHVDLSA-N	1	0	360.502	1.954	20	30		FDEDRO
O=C(C#Cc1cccnc1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001177776904	963949171	/nfs/dbraw/zinc/94/91/71/963949171.db2.gz	HZIRZEMOZXFIIO-PMACEKPBSA-N	1	0	362.433	1.330	20	30		FDEDRO
O=C(C#Cc1cccnc1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001177776910	963949194	/nfs/dbraw/zinc/94/91/94/963949194.db2.gz	HZIRZEMOZXFIIO-UXHICEINSA-N	1	0	362.433	1.330	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N(CC(C)C)C2CC2)C1	ZINC001185749418	964104602	/nfs/dbraw/zinc/10/46/02/964104602.db2.gz	IORLARJVQAMAQJ-NXHRZFHOSA-N	1	0	363.502	1.415	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](C)C)[C@H]1CCCO1	ZINC000774950045	964199253	/nfs/dbraw/zinc/19/92/53/964199253.db2.gz	UINLWPNSZHYLOS-GBESFXJTSA-N	1	0	371.481	1.265	20	30		FDEDRO
C=CCC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)nn1	ZINC001185961250	964232344	/nfs/dbraw/zinc/23/23/44/964232344.db2.gz	CWGDQKLMIDXEFE-WXJALIKYSA-N	1	0	371.485	1.531	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](n2cc(C[NH2+]CCC)nn2)C1	ZINC001186018521	964255788	/nfs/dbraw/zinc/25/57/88/964255788.db2.gz	IBGKLMLSVAUFRP-SQNIBIBYSA-N	1	0	361.490	1.922	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CCCO[C@H]1C=C	ZINC001178506375	964260466	/nfs/dbraw/zinc/26/04/66/964260466.db2.gz	RHSYTFLZKYCMFP-KSZLIROESA-N	1	0	365.518	1.925	20	30		FDEDRO
CS(=O)(=O)N(C(=O)C#Cc1ccc(F)cc1F)c1ccc(C[NH3+])cc1	ZINC001178574286	964307357	/nfs/dbraw/zinc/30/73/57/964307357.db2.gz	VMYGELGJHATMIW-UHFFFAOYSA-N	1	0	364.373	1.768	20	30		FDEDRO
C#CCOCCC(=O)NC[C@@H]1C[N@H+](CCO)CC[C@@H]1c1ccc(F)cc1	ZINC001186188937	964338591	/nfs/dbraw/zinc/33/85/91/964338591.db2.gz	FZZBGGWYRHGVPM-IEBWSBKVSA-N	1	0	362.445	1.380	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cc2nonc2C)C1	ZINC001186203378	964350269	/nfs/dbraw/zinc/35/02/69/964350269.db2.gz	JRYDYIJMVXVROT-SJLPKXTDSA-N	1	0	370.428	1.915	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cc2ncc[nH]2)C1	ZINC001186203388	964350406	/nfs/dbraw/zinc/35/04/06/964350406.db2.gz	KIRLBJDKJHDXAI-SJLPKXTDSA-N	1	0	354.429	1.946	20	30		FDEDRO
N#CCN1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cn2ccnc2)C1	ZINC001186203195	964350512	/nfs/dbraw/zinc/35/05/12/964350512.db2.gz	GJFKQDWUVHJESK-SJLPKXTDSA-N	1	0	355.417	1.768	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cc2cnn(C)c2)C1	ZINC001186172105	964356783	/nfs/dbraw/zinc/35/67/83/964356783.db2.gz	PMNKDRITYIFSDW-UYAOXDASSA-N	1	0	368.456	1.957	20	30		FDEDRO
C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C	ZINC001178725643	964362612	/nfs/dbraw/zinc/36/26/12/964362612.db2.gz	OIHPZJSPZRTZAB-WQCNXYOZSA-N	1	0	368.481	1.645	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N(CC)CC)C1	ZINC001186212953	964378392	/nfs/dbraw/zinc/37/83/92/964378392.db2.gz	CURZOOQDZKRXQH-RYRKJORJSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CCCCCCNC(=O)[C@H]2OCC[C@H]2CC)C1=O	ZINC001178733876	964401756	/nfs/dbraw/zinc/40/17/56/964401756.db2.gz	UASLUHYOGCBSPZ-KURKYZTESA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC12CCOCC2	ZINC001186493594	964521863	/nfs/dbraw/zinc/52/18/63/964521863.db2.gz	DCMAEVDWYKFSOD-IKGGRYGDSA-N	1	0	363.502	1.309	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cc1	ZINC000957567095	1013502051	/nfs/dbraw/zinc/50/20/51/1013502051.db2.gz	GNGDPMBNAFPLTE-CDHQVMDDSA-N	1	0	365.477	1.586	20	30		FDEDRO
C[C@]1(c2ccccc2)C[C@H]1C(=O)NCCCCCC[NH2+]CC(=O)NCC#N	ZINC001179081230	964706375	/nfs/dbraw/zinc/70/63/75/964706375.db2.gz	YZFPVBACPLAKRU-GHTZIAJQSA-N	1	0	370.497	1.870	20	30		FDEDRO
CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	ZINC001179097948	964718875	/nfs/dbraw/zinc/71/88/75/964718875.db2.gz	VPJWJMGTODNFQX-MOPGFXCFSA-N	1	0	365.518	1.156	20	30		FDEDRO
C#C[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1	ZINC001179156385	964751844	/nfs/dbraw/zinc/75/18/44/964751844.db2.gz	PBMSGEQEUODJDW-CABCVRRESA-N	1	0	365.474	1.225	20	30		FDEDRO
N#Cc1cccc(C[NH2+]CC2CC(NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)c1	ZINC000962314784	1013521983	/nfs/dbraw/zinc/52/19/83/1013521983.db2.gz	NRZBTHORHVQQGL-UMQBVGHOSA-N	1	0	354.454	1.444	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)CN(C)C(C)=O)[C@@H]3C2)cc1C#N	ZINC001186940174	964854803	/nfs/dbraw/zinc/85/48/03/964854803.db2.gz	LTTQBRWPACENPB-FUHWJXTLSA-N	1	0	370.453	1.078	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N(CCC)CCC)[C@@H]1C	ZINC001179566097	964901161	/nfs/dbraw/zinc/90/11/61/964901161.db2.gz	XUBVXJPIHFEERT-MHORFTMASA-N	1	0	365.518	1.805	20	30		FDEDRO
C[N@H+](CCC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)C1CCCCC1	ZINC001179651670	964935156	/nfs/dbraw/zinc/93/51/56/964935156.db2.gz	NJBXKWOBIJYLAB-WMLDXEAASA-N	1	0	353.488	1.038	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1=O	ZINC001179654843	964935907	/nfs/dbraw/zinc/93/59/07/964935907.db2.gz	ONJQGNDDDBEWRS-TVFCKZIOSA-N	1	0	363.502	1.607	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)[C@H]1C	ZINC001179685800	964943984	/nfs/dbraw/zinc/94/39/84/964943984.db2.gz	ODVDUGJOZTURCH-FZDIXFNVSA-N	1	0	369.465	1.127	20	30		FDEDRO
CC#CC(=O)N1Cc2cc(OC)c(OC)cc2C(=O)C12CC[NH+](C)CC2	ZINC001179751148	964979569	/nfs/dbraw/zinc/97/95/69/964979569.db2.gz	ASSQTARRPHEWRO-UHFFFAOYSA-N	1	0	356.422	1.716	20	30		FDEDRO
CC#CC(=O)N(CC1([NH3+])CCCCC1)S(=O)(=O)c1c(C)noc1C	ZINC001179758254	964982516	/nfs/dbraw/zinc/98/25/16/964982516.db2.gz	CEWXFVJIYUIYPL-UHFFFAOYSA-N	1	0	353.444	1.494	20	30		FDEDRO
COCC#CC(=O)NC[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1	ZINC001187135755	965036093	/nfs/dbraw/zinc/03/60/93/965036093.db2.gz	BYZRNPYRPBGHGI-NRFANRHFSA-N	1	0	366.461	1.816	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C(=O)N(C)C)cc1	ZINC001110390336	965057001	/nfs/dbraw/zinc/05/70/01/965057001.db2.gz	IKLQJHCHGDBFBB-QRVBRYPASA-N	1	0	371.481	1.813	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@@H+](CCOc3ccccc3OC)C[C@H]21	ZINC001187280373	965159731	/nfs/dbraw/zinc/15/97/31/965159731.db2.gz	JYRSDMSPEGDABW-DLBZAZTESA-N	1	0	360.454	1.809	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)[C@H]1C	ZINC001180249824	965178591	/nfs/dbraw/zinc/17/85/91/965178591.db2.gz	BQDFDKHSUSOZSF-RUGDWHBFSA-N	1	0	359.445	1.810	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]21	ZINC001187466308	965380673	/nfs/dbraw/zinc/38/06/73/965380673.db2.gz	XMTTXSFPZBKRBH-SOUVJXGZSA-N	1	0	364.408	1.815	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc[nH]c(=O)c3)[C@@H]2C1	ZINC001187511132	965401544	/nfs/dbraw/zinc/40/15/44/965401544.db2.gz	QFDHDRMKUZOGSN-DLBZAZTESA-N	1	0	370.453	1.134	20	30		FDEDRO
CC(=O)Nc1ccc(NC(=O)CC[NH+]2CCC(C(N)=O)CC2)cc1C#N	ZINC001180614273	965410363	/nfs/dbraw/zinc/41/03/63/965410363.db2.gz	VSAAMDMADCYSAD-UHFFFAOYSA-N	1	0	357.414	1.043	20	30		FDEDRO
N#CC1(CNC(=O)[C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)CCOCC1	ZINC001180617540	965413895	/nfs/dbraw/zinc/41/38/95/965413895.db2.gz	SKLKZWMXMUCNGS-HXUWFJFHSA-N	1	0	357.454	1.450	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)c3cccc(C)c3)C[C@H]21	ZINC001187598295	965520079	/nfs/dbraw/zinc/52/00/79/965520079.db2.gz	KRURMNMNQMNQEZ-YTQUADARSA-N	1	0	353.466	1.728	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](CC3CCC(C)(C)CC3)C[C@H]21	ZINC001187605299	965553415	/nfs/dbraw/zinc/55/34/15/965553415.db2.gz	COXIFWFCZZOIOX-ZWKOTPCHSA-N	1	0	359.514	1.875	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)c3ccccc3C)C[C@H]21	ZINC001187605815	965555578	/nfs/dbraw/zinc/55/55/78/965555578.db2.gz	UYAQUWLGWCUTFO-JENIJYKNSA-N	1	0	353.466	1.728	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CC[C@H]2C[N@H+](CCCCCn3cncn3)C[C@H]21	ZINC001187699241	965645467	/nfs/dbraw/zinc/64/54/67/965645467.db2.gz	VISPFJVJMQNOJY-YQVWRLOYSA-N	1	0	361.490	1.308	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(C(=O)NC)c3)C[C@H]21	ZINC001187699403	965647003	/nfs/dbraw/zinc/64/70/03/965647003.db2.gz	XDHIBSFSLZBUGZ-WAOWUJCRSA-N	1	0	371.481	1.406	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2CN(CC(=O)NCCC3=CCCCC3)C[C@H]21	ZINC001187819682	965759978	/nfs/dbraw/zinc/75/99/78/965759978.db2.gz	HTZMKXXUZAZTJX-VQTJNVASSA-N	1	0	369.509	1.939	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@@H+](CCCOCC(F)(F)F)C[C@H]21	ZINC001187857419	965797530	/nfs/dbraw/zinc/79/75/30/965797530.db2.gz	MMHHIYQTTHEZSL-LSDHHAIUSA-N	1	0	362.392	1.528	20	30		FDEDRO
Cc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)C#CC(C)C)[C@@H]2C1	ZINC001187827216	965817837	/nfs/dbraw/zinc/81/78/37/965817837.db2.gz	AMQZDCIHJOECLG-XUVXKRRUSA-N	1	0	370.493	1.927	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1	ZINC001187833866	965829413	/nfs/dbraw/zinc/82/94/13/965829413.db2.gz	WHPIAZRUYYUEJK-YTQUADARSA-N	1	0	357.498	1.746	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cnc4cc(C)ccn43)[C@@H]2C1	ZINC001188004112	965956372	/nfs/dbraw/zinc/95/63/72/965956372.db2.gz	AAPTUQLGVFEEIY-FUHWJXTLSA-N	1	0	354.454	1.992	20	30		FDEDRO
C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3scc(C)c3Cl)[C@@H]2C1	ZINC001188004477	965957434	/nfs/dbraw/zinc/95/74/34/965957434.db2.gz	LCFZHXIKHODZMN-QWHCGFSZSA-N	1	0	365.886	1.606	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4ncncc4C3)[C@@H]2C1	ZINC001188173142	966076136	/nfs/dbraw/zinc/07/61/36/966076136.db2.gz	FMJHPZLNHFQSMS-JTDSTZFVSA-N	1	0	356.470	1.317	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC1)CC[NH+](CC(=O)NC)CC2	ZINC000957618965	1013626451	/nfs/dbraw/zinc/62/64/51/1013626451.db2.gz	KMBQSXHVIKLVOI-WMZOPIPTSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)Cc3nc(C)sc3C)[C@@H]2C1	ZINC001188349304	966265265	/nfs/dbraw/zinc/26/52/65/966265265.db2.gz	NQTIKXNYSONREL-GOEBONIOSA-N	1	0	362.499	1.137	20	30		FDEDRO
C#Cc1ccc(C(=O)N(Cc2noc3c2C[NH2+]CC3)c2ncccn2)cc1	ZINC001188722319	966535435	/nfs/dbraw/zinc/53/54/35/966535435.db2.gz	GCKPUWPXNKTWDT-UHFFFAOYSA-N	1	0	359.389	1.939	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cncn4)nc3)[C@@H]2C1	ZINC001188730692	966540959	/nfs/dbraw/zinc/54/09/59/966540959.db2.gz	BTWCRGAPYLDOCK-DLBZAZTESA-N	1	0	368.441	1.011	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cncn4)nc3)[C@@H]2C1	ZINC001188731095	966542031	/nfs/dbraw/zinc/54/20/31/966542031.db2.gz	IHQWZTPFKIMVFR-DLBZAZTESA-N	1	0	352.442	1.775	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CCCNC(=O)C(C)(C)C)[C@@H]2C1	ZINC001188745025	966553996	/nfs/dbraw/zinc/55/39/96/966553996.db2.gz	YEMVIDKXHIMSBI-DLBZAZTESA-N	1	0	365.518	1.664	20	30		FDEDRO
C#CCCCCCC(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)NC(C)C)C[C@H]21	ZINC001188808168	966595938	/nfs/dbraw/zinc/59/59/38/966595938.db2.gz	YKVQYHWXWFFVNZ-ZWKOTPCHSA-N	1	0	362.518	1.810	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)c3ccncc3Cl)[C@@H]2C1	ZINC001189223595	966834397	/nfs/dbraw/zinc/83/43/97/966834397.db2.gz	GAZABIPIDXSZAM-DVOMOZLQSA-N	1	0	360.845	1.019	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CC[C@H]3C[N@@H+](CCOCCCC)C[C@H]32)nn1	ZINC001189382671	966932668	/nfs/dbraw/zinc/93/26/68/966932668.db2.gz	OSCAUCYHQJWJQV-FUHWJXTLSA-N	1	0	361.490	1.817	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3ccccc3NC(C)=O)[C@@H]2C1	ZINC001189445096	966994645	/nfs/dbraw/zinc/99/46/45/966994645.db2.gz	WGYLUBXZBIDUHN-AZUAARDMSA-N	1	0	371.481	1.923	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc(N2CCOCC2)cc1	ZINC000775260471	967028975	/nfs/dbraw/zinc/02/89/75/967028975.db2.gz	PBNPVJXIYWRSGR-QGZVFWFLSA-N	1	0	369.469	1.830	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2	ZINC000964536235	1013697804	/nfs/dbraw/zinc/69/78/04/1013697804.db2.gz	NSVLNPGEZHNSOK-ZACQAIPSSA-N	1	0	361.486	1.171	20	30		FDEDRO
C#CCOCC[NH+]1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1	ZINC000852209095	967100148	/nfs/dbraw/zinc/10/01/48/967100148.db2.gz	KXBXIVDZDYVFDX-HNNXBMFYSA-N	1	0	350.459	1.291	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3scc4c3OCCO4)[C@@H]2C1	ZINC001189627928	967127393	/nfs/dbraw/zinc/12/73/93/967127393.db2.gz	CURMKABBRCEKDM-UONOGXRCSA-N	1	0	364.467	1.868	20	30		FDEDRO
C#C[C@H](NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CCOCC1	ZINC000852248272	967148019	/nfs/dbraw/zinc/14/80/19/967148019.db2.gz	FNHFUZWFHCNEMU-PMACEKPBSA-N	1	0	371.481	1.481	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3nc(C)ccc3=O)[C@@H]2C1	ZINC001189872301	967325461	/nfs/dbraw/zinc/32/54/61/967325461.db2.gz	YFEOMCAZTYJJOZ-ZWKOTPCHSA-N	1	0	358.486	1.831	20	30		FDEDRO
C=CCNC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1	ZINC000852473098	967356707	/nfs/dbraw/zinc/35/67/07/967356707.db2.gz	JCNHMRMTPLYSNL-KBPBESRZSA-N	1	0	361.408	1.944	20	30		FDEDRO
CN(C)C(=O)CCCC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001189856966	967361177	/nfs/dbraw/zinc/36/11/77/967361177.db2.gz	HTELPUQKMKNEHU-RBUKOAKNSA-N	1	0	368.481	1.849	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3OCc4ccccc43)[C@@H]2C1	ZINC001189969294	967423278	/nfs/dbraw/zinc/42/32/78/967423278.db2.gz	DXCLFLPLKMUAGZ-DBVUQKKJSA-N	1	0	354.450	1.831	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)COc3cc(C)ccc3C)[C@@H]2C1	ZINC001190133674	967550916	/nfs/dbraw/zinc/55/09/16/967550916.db2.gz	XOUJNGQBMYCWJV-RBUKOAKNSA-N	1	0	356.466	1.865	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)[C@@H]2C1	ZINC001190140469	967554010	/nfs/dbraw/zinc/55/40/10/967554010.db2.gz	SLCIHLDVWOPPBN-GOEBONIOSA-N	1	0	362.474	1.603	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852800155	967615619	/nfs/dbraw/zinc/61/56/19/967615619.db2.gz	LKEDZOMHNZFPNN-UHFFFAOYSA-N	1	0	361.467	1.413	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CCCc3nc(CC)no3)[C@@H]2C1	ZINC001190167711	967619521	/nfs/dbraw/zinc/61/95/21/967619521.db2.gz	IADBSIGYJGEZSR-JKSUJKDBSA-N	1	0	362.474	1.690	20	30		FDEDRO
CCc1ccc(C(=O)N2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)cc1	ZINC000852815340	967627448	/nfs/dbraw/zinc/62/74/48/967627448.db2.gz	VRPLMRDKFQSTOB-UHFFFAOYSA-N	1	0	353.466	1.536	20	30		FDEDRO
COc1ccc(CCC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c(Br)c1	ZINC000852827309	967638364	/nfs/dbraw/zinc/63/83/64/967638364.db2.gz	GFGWNDDEMKQEST-RISCZKNCSA-N	1	0	352.232	1.618	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)Nc1ccc(F)c(N2CCCS2(=O)=O)c1	ZINC000852834722	967645469	/nfs/dbraw/zinc/64/54/69/967645469.db2.gz	XTHXPLYMVYIRQN-UHFFFAOYSA-N	1	0	365.430	1.307	20	30		FDEDRO
C[C@@H]1CN(Cc2cccc(CNC(=O)C#CC3CC[NH2+]CC3)c2)CCO1	ZINC000852862820	967668252	/nfs/dbraw/zinc/66/82/52/967668252.db2.gz	KWHULKHBKGHLTK-QGZVFWFLSA-N	1	0	355.482	1.527	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3cccnc3)c1)C2	ZINC001110658408	967707274	/nfs/dbraw/zinc/70/72/74/967707274.db2.gz	VKAGBBVIWWYWNK-QRQLOZEOSA-N	1	0	367.453	1.805	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)CNC(=O)C4CCC4)[C@@H]3C2)cc1	ZINC001190333164	967757485	/nfs/dbraw/zinc/75/74/85/967757485.db2.gz	GEELIARVDTYREO-RBUKOAKNSA-N	1	0	366.465	1.507	20	30		FDEDRO
N#Cc1ncc(Br)cc1N1CCC[C@H](n2cc(C[NH3+])nn2)C1	ZINC000853015914	967775032	/nfs/dbraw/zinc/77/50/32/967775032.db2.gz	HLNIMMYWBZMCGN-LBPRGKRZSA-N	1	0	362.235	1.607	20	30		FDEDRO
Cc1ccc2[nH]cc(C(=O)N3CC[C@H]4CN(CC(=O)NCC#N)C[C@H]43)c2c1	ZINC001190377506	967811422	/nfs/dbraw/zinc/81/14/22/967811422.db2.gz	CKIMCYWYTOQCDI-KBXCAEBGSA-N	1	0	365.437	1.262	20	30		FDEDRO
C#C[C@H]([NH2+]C[C@H](O)COc1ccc(CCC(C)=O)cc1)C1CCOCC1	ZINC000853115441	967840968	/nfs/dbraw/zinc/84/09/68/967840968.db2.gz	JFDVYXGZCPQHHJ-FPOVZHCZSA-N	1	0	359.466	1.966	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]2C[N@H+](CCOC[C@@H]3CCCCO3)C[C@H]21	ZINC001190441229	967852709	/nfs/dbraw/zinc/85/27/09/967852709.db2.gz	QMLFDMLGNPHEFZ-GBESFXJTSA-N	1	0	366.502	1.698	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]21	ZINC001190440873	967853275	/nfs/dbraw/zinc/85/32/75/967853275.db2.gz	LZEJLLXXHSVONW-HRCADAONSA-N	1	0	351.491	1.415	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)c3c(C)nn(C)c3C)[C@@H]2C1	ZINC001190494341	967929792	/nfs/dbraw/zinc/92/97/92/967929792.db2.gz	JVTBTZUPAJTKNV-JCGIZDLHSA-N	1	0	358.486	1.323	20	30		FDEDRO
N#Cc1ncc(Br)cc1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000853266414	967950576	/nfs/dbraw/zinc/95/05/76/967950576.db2.gz	DRJHNXOEGVMYIZ-DZGCQCFKSA-N	1	0	351.248	1.751	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1	ZINC001190589964	967971547	/nfs/dbraw/zinc/97/15/47/967971547.db2.gz	NHUVPVBSHDPCFV-ZWKOTPCHSA-N	1	0	363.421	1.464	20	30		FDEDRO
CCO[C@@H]1C[C@H]2CN(S(=O)(=O)c3cc(C#N)ccc3F)CCN2C1	ZINC001190631129	967994542	/nfs/dbraw/zinc/99/45/42/967994542.db2.gz	FDFJZUUGZWPEFO-UONOGXRCSA-N	1	0	353.419	1.181	20	30		FDEDRO
CC[NH+](CC)C[C@@H]1CN(S(=O)(=O)c2cc(C#N)ccc2F)CCO1	ZINC001190648315	968002947	/nfs/dbraw/zinc/00/29/47/968002947.db2.gz	LBDMDMSGGHMJBJ-CQSZACIVSA-N	1	0	355.435	1.429	20	30		FDEDRO
C#CC[C@@H]([NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1	ZINC000775405073	968031181	/nfs/dbraw/zinc/03/11/81/968031181.db2.gz	UZZYDCUZNGQTSZ-QGZVFWFLSA-N	1	0	357.435	1.627	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccc(C(=O)N3CCN(CCC#N)CC3)cc2)CC1	ZINC001190841070	968118053	/nfs/dbraw/zinc/11/80/53/968118053.db2.gz	REIIKVWLOOGZFJ-UHFFFAOYSA-N	1	0	369.513	1.496	20	30		FDEDRO
C#CCCN(CCOC)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000853873100	968387884	/nfs/dbraw/zinc/38/78/84/968387884.db2.gz	TVYVAJXKHTZYOK-MSOLQXFVSA-N	1	0	351.491	1.436	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@H]2CCN(Cc3ccc(OC)cc3)C2=O)CC1	ZINC000853898605	968414640	/nfs/dbraw/zinc/41/46/40/968414640.db2.gz	LAKHOMCIVKZWBF-IBGZPJMESA-N	1	0	370.449	1.685	20	30		FDEDRO
C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1	ZINC000854024494	968538881	/nfs/dbraw/zinc/53/88/81/968538881.db2.gz	AMFIDVXBAGEZTQ-INIZCTEOSA-N	1	0	367.490	1.474	20	30		FDEDRO
CCOC(=O)C1CC[NH+](C2CCN(C(=O)c3ccnc(C#N)c3)CC2)CC1	ZINC001191549240	968606478	/nfs/dbraw/zinc/60/64/78/968606478.db2.gz	YLPZSLRYJMEXJV-UHFFFAOYSA-N	1	0	370.453	1.833	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[N@H+](CC2CCN(C(=O)CC(C)C)CC2)C[C@H]1O	ZINC001191724309	968714125	/nfs/dbraw/zinc/71/41/25/968714125.db2.gz	AQBDLQSENSOGDX-QZTJIDSGSA-N	1	0	365.518	1.399	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](CCCOc2cccc3ccccc32)C[C@H]1O	ZINC001191882927	968834414	/nfs/dbraw/zinc/83/44/14/968834414.db2.gz	ZXEAQMUOZDSCIH-ATZDWAIDSA-N	1	0	367.449	1.930	20	30		FDEDRO
COCC[C@@H](c1ccccc1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1	ZINC001192298302	969050376	/nfs/dbraw/zinc/05/03/76/969050376.db2.gz	KWLRVUBXXDMBEF-CEXWTWQISA-N	1	0	368.437	1.439	20	30		FDEDRO
C#CCN(CC(=O)N1CCO[C@@H]2CC[N@@H+](CC)C[C@@H]21)C(=O)OC(C)(C)C	ZINC000854658188	969062898	/nfs/dbraw/zinc/06/28/98/969062898.db2.gz	SZVZJGFPNXBUCG-JKSUJKDBSA-N	1	0	365.474	1.178	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1csc(I)n1	ZINC000854664139	969067323	/nfs/dbraw/zinc/06/73/23/969067323.db2.gz	NUYGVGOBBASQRS-UHFFFAOYSA-N	1	0	363.224	1.433	20	30		FDEDRO
CCC[C@H](C)NC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C#N)[nH]1)C2	ZINC001110450143	969322231	/nfs/dbraw/zinc/32/22/31/969322231.db2.gz	UIPFQSYSPIPETL-JFOHDYCDSA-N	1	0	357.458	1.526	20	30		FDEDRO
N#CCS(=O)(=O)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1	ZINC001192959299	969377043	/nfs/dbraw/zinc/37/70/43/969377043.db2.gz	XDLRTTRAYSLJBB-HNNXBMFYSA-N	1	0	370.425	1.468	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@H+](C[C@H](OC)C2CCC2)C[C@H]1O	ZINC001192924291	969381286	/nfs/dbraw/zinc/38/12/86/969381286.db2.gz	GNFFRGRYPWABEO-QRVBRYPASA-N	1	0	368.518	1.726	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(F)cc3ccncc32)C1	ZINC001193076774	969452184	/nfs/dbraw/zinc/45/21/84/969452184.db2.gz	ZLUIULGMBLIUMW-QZTJIDSGSA-N	1	0	359.401	1.351	20	30		FDEDRO
COC(=O)c1cn([C@@H]2CCC[N@H+](C[C@@H](O)c3cccc(C#N)c3)C2)nn1	ZINC001193055536	969460301	/nfs/dbraw/zinc/46/03/01/969460301.db2.gz	XNJMRXMBVXTGOX-NVXWUHKLSA-N	1	0	355.398	1.307	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCO[C@H]2CCOC2)c[nH]1	ZINC001110455488	969556574	/nfs/dbraw/zinc/55/65/74/969556574.db2.gz	DSCPQHCSVSSMJS-XDNAFOTISA-N	1	0	358.442	1.417	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccc(F)cc2)C[C@H]1O	ZINC001193400296	969681703	/nfs/dbraw/zinc/68/17/03/969681703.db2.gz	LVHWXMVFLVFANI-KZNAEPCWSA-N	1	0	350.434	1.247	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1CN(CCOCC(F)(F)F)C[C@H]1O)OCC	ZINC001193422271	969697549	/nfs/dbraw/zinc/69/75/49/969697549.db2.gz	NVZQDOSSVKJJLO-MCIONIFRSA-N	1	0	368.396	1.098	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1C[N@H+](CCc2scnc2C)C[C@H]1O)OCC	ZINC001193422405	969698495	/nfs/dbraw/zinc/69/84/95/969698495.db2.gz	QUFJAXCWWVSDNT-OAGGEKHMSA-N	1	0	367.515	1.527	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)C(=O)c2cccs2)C1	ZINC001193472340	969708703	/nfs/dbraw/zinc/70/87/03/969708703.db2.gz	BPUWPTCZQLKVFF-RRFJBIMHSA-N	1	0	365.499	1.336	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(OCCOC)nc2)C1	ZINC001193535411	969721778	/nfs/dbraw/zinc/72/17/78/969721778.db2.gz	KSDRCBHTZUTUAN-DJIMGWMZSA-N	1	0	363.458	1.236	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCCCCC2=O)C1	ZINC001193520941	969734442	/nfs/dbraw/zinc/73/44/42/969734442.db2.gz	YDZDMXLWXVDWLN-QZTJIDSGSA-N	1	0	365.518	1.687	20	30		FDEDRO
CCCCCCCCOCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1O	ZINC001193828041	969885126	/nfs/dbraw/zinc/88/51/26/969885126.db2.gz	IFYMJZOOBFZVMD-IPMKNSEASA-N	1	0	370.534	1.951	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3c2CCCCC3)C1	ZINC001193971475	969941763	/nfs/dbraw/zinc/94/17/63/969941763.db2.gz	VGVCLZVYMLMYFD-WOJBJXKFSA-N	1	0	358.482	1.933	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncn(-c3ccccc3)n2)C1	ZINC001193989508	969948885	/nfs/dbraw/zinc/94/88/85/969948885.db2.gz	ZPOYDHFAIUHVQM-DJIMGWMZSA-N	1	0	355.442	1.397	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@H]2C=CCCC2)C1	ZINC001194038607	969957645	/nfs/dbraw/zinc/95/76/45/969957645.db2.gz	GORFSUZAYSFUKX-RCCFBDPRSA-N	1	0	363.502	1.319	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2CCOC)C1	ZINC001193998267	969967619	/nfs/dbraw/zinc/96/76/19/969967619.db2.gz	QWVMQHCKEWWYTQ-NVXWUHKLSA-N	1	0	350.463	1.051	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn3c(n2)C[C@@H](C)CC3)C1	ZINC001194074074	969988496	/nfs/dbraw/zinc/98/84/96/969988496.db2.gz	DQKIWSOYKMOSIA-LZLYRXPVSA-N	1	0	360.502	1.987	20	30		FDEDRO
Cc1[nH]c(=O)ncc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC001194184660	970035014	/nfs/dbraw/zinc/03/50/14/970035014.db2.gz	AMNNGXNYSVQESU-UHFFFAOYSA-N	1	0	351.410	1.779	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3nnc(C)n3c2)C1	ZINC001194298658	970090289	/nfs/dbraw/zinc/09/02/89/970090289.db2.gz	IXAIEZYYAKNOLI-IAGOWNOFSA-N	1	0	357.458	1.559	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3cc[nH]c(=O)c3s2)C1	ZINC001194284104	970109998	/nfs/dbraw/zinc/10/99/98/970109998.db2.gz	YCBQKUHXNGVFEB-IACUBPJLSA-N	1	0	361.467	1.719	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](c2ccccc2)C2(CO)CCOCC2)CC1	ZINC000855122453	970163396	/nfs/dbraw/zinc/16/33/96/970163396.db2.gz	JWZULOCTQGWSKF-FQEVSTJZSA-N	1	0	370.493	1.978	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)CCC(=O)N3)C1	ZINC001194527503	970233483	/nfs/dbraw/zinc/23/34/83/970233483.db2.gz	SARWJNQLTKSPSN-MORSLUCNSA-N	1	0	357.454	1.701	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COc3ccc(Cl)cc32)C1	ZINC001194652972	970289723	/nfs/dbraw/zinc/28/97/23/970289723.db2.gz	YZKCDNZHUMSDCL-BZUAXINKSA-N	1	0	366.845	1.180	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(OC)c1	ZINC001110462094	970430058	/nfs/dbraw/zinc/43/00/58/970430058.db2.gz	WZHGKTFHORLXAD-NXHRZFHOSA-N	1	0	355.438	1.056	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(-c3ncc[nH]3)n2)C1	ZINC001194840760	970463264	/nfs/dbraw/zinc/46/32/64/970463264.db2.gz	NQHBOSXEGKZVSZ-OUCADQQQSA-N	1	0	361.471	1.663	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C3(CC)CCC3)C[C@H]2C)CC1	ZINC000957882501	1013995039	/nfs/dbraw/zinc/99/50/39/1013995039.db2.gz	IBMJKVFWWWHWQJ-SJLPKXTDSA-N	1	0	359.514	1.875	20	30		FDEDRO
CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)C1	ZINC000776819774	970485055	/nfs/dbraw/zinc/48/50/55/970485055.db2.gz	CSVYZQOAEGGCFN-QWQRMKEZSA-N	1	0	350.463	1.641	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2CCCC)C1	ZINC001194998018	970599370	/nfs/dbraw/zinc/59/93/70/970599370.db2.gz	WTHRMHKAQMLKTI-GUDVDZBRSA-N	1	0	367.534	1.395	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(-n3ccnn3)c2)C1	ZINC001194998014	970599778	/nfs/dbraw/zinc/59/97/78/970599778.db2.gz	WSSBDBUWRSHRTK-QZTJIDSGSA-N	1	0	370.457	1.184	20	30		FDEDRO
C#C[C@@H]([NH2+]CCCS(=O)(=O)c1ccc(NC(C)=O)cc1)[C@H]1CCCO1	ZINC000775798699	972568334	/nfs/dbraw/zinc/56/83/34/972568334.db2.gz	LHWSVPRIHUELQV-QZTJIDSGSA-N	1	0	364.467	1.579	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1	ZINC000645111664	1014072124	/nfs/dbraw/zinc/07/21/24/1014072124.db2.gz	DLZLHAILKGWUBP-IEBWSBKVSA-N	1	0	359.470	1.906	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC([NH2+]CC#Cc2ccccc2)CC1	ZINC001202509312	972982255	/nfs/dbraw/zinc/98/22/55/972982255.db2.gz	ACVJHUYVICUTSS-MOPGFXCFSA-N	1	0	353.466	1.343	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]Cc1ccccc1N1CCOCC1	ZINC000863551137	973007217	/nfs/dbraw/zinc/00/72/17/973007217.db2.gz	IMPFOGLWOVDCEG-LJQANCHMSA-N	1	0	367.449	1.924	20	30		FDEDRO
Cc1nccn1-c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2C#N)cn1	ZINC000863551998	973009136	/nfs/dbraw/zinc/00/91/36/973009136.db2.gz	VBJJVMJQULGGLV-GOSISDBHSA-N	1	0	363.421	1.977	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCOc2cccc(C)c2)C1	ZINC001198380688	973037526	/nfs/dbraw/zinc/03/75/26/973037526.db2.gz	QOLSQLGSUJEANV-RTBURBONSA-N	1	0	362.470	1.518	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc3c(c2)OCCO3)C1	ZINC001198416642	973076079	/nfs/dbraw/zinc/07/60/79/973076079.db2.gz	KAFRCQXPNPVAHD-USXIJHARSA-N	1	0	360.454	1.516	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(c3cc(C)cc(C)c3)CC2)C1	ZINC001198688045	973415911	/nfs/dbraw/zinc/41/59/11/973415911.db2.gz	DIVWYJAMLRPJGU-RTBURBONSA-N	1	0	358.482	1.699	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)nc3cc(C)nn32)C1	ZINC001198753308	973481329	/nfs/dbraw/zinc/48/13/29/973481329.db2.gz	IGFLILQOLIZOFV-ZMSDIMECSA-N	1	0	357.458	1.476	20	30		FDEDRO
Cn1c(CC#N)nn(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1=S	ZINC000794632620	973493256	/nfs/dbraw/zinc/49/32/56/973493256.db2.gz	JDISRNWSHHIZCP-HZSPNIEDSA-N	1	0	350.492	1.158	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CCNC(=O)NCc2ccc(C#N)cn2)cc1	ZINC000780406363	973545382	/nfs/dbraw/zinc/54/53/82/973545382.db2.gz	RXVQCLRSJPATSV-UHFFFAOYSA-N	1	0	367.453	1.936	20	30		FDEDRO
C=C[C@H](C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1O)c1ccccc1	ZINC001198956484	973742362	/nfs/dbraw/zinc/74/23/62/973742362.db2.gz	YFLPAQLLHHAHNQ-IPMKNSEASA-N	1	0	354.454	1.094	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nnc(C)n3C2)C1	ZINC001198975427	973768323	/nfs/dbraw/zinc/76/83/23/973768323.db2.gz	MWOAZCZQWSUIBW-BRWVUGGUSA-N	1	0	361.490	1.057	20	30		FDEDRO
N#Cc1ccccc1CN1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1	ZINC001199071055	973887234	/nfs/dbraw/zinc/88/72/34/973887234.db2.gz	FYUXKNWOOBTESE-RTBURBONSA-N	1	0	356.470	1.096	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N(C)C(C)=O)cc2)C1	ZINC001199246154	974068233	/nfs/dbraw/zinc/06/82/33/974068233.db2.gz	YAMQFVMEQMRWKS-GDIGMMSISA-N	1	0	359.470	1.799	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCc3ccc(F)cc32)C[C@H]1O	ZINC001199292723	974133520	/nfs/dbraw/zinc/13/35/20/974133520.db2.gz	RPCRQEJCGHBEEK-CEXWTWQISA-N	1	0	362.445	1.957	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](C[C@H](OC)C3CCC3)C[C@H]2O)CCCCC1	ZINC001199278265	974160666	/nfs/dbraw/zinc/16/06/66/974160666.db2.gz	VODVSYNLUBSUHQ-QRVBRYPASA-N	1	0	362.514	1.937	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC[N@@H+]1C	ZINC000967565299	1014173454	/nfs/dbraw/zinc/17/34/54/1014173454.db2.gz	LJPCZHBPXHIJMW-DJIMGWMZSA-N	1	0	371.485	1.680	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2=O)C1	ZINC001199422455	974239944	/nfs/dbraw/zinc/23/99/44/974239944.db2.gz	NXWBXEGPMVDXKP-ZHALLVOQSA-N	1	0	365.518	1.541	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(OCC)cn2)C1	ZINC001199489771	974297415	/nfs/dbraw/zinc/29/74/15/974297415.db2.gz	NZTOGZWQJDVNKZ-HZPDHXFCSA-N	1	0	350.463	1.621	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+]Cc3cn(C[C@@H]4CCCO4)nn3)CC2)nc1	ZINC000865445063	974300545	/nfs/dbraw/zinc/30/05/45/974300545.db2.gz	DEOGLRXJBRBLHS-SFHVURJKSA-N	1	0	367.457	1.482	20	30		FDEDRO
C#CC[C@H](CC(=O)N[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1O)c1ccccc1	ZINC001199505208	974324928	/nfs/dbraw/zinc/32/49/28/974324928.db2.gz	BNYAAZMQODMJIK-VAMGGRTRSA-N	1	0	366.465	1.279	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCc3ccccc3C2)C1	ZINC001199591018	974395079	/nfs/dbraw/zinc/39/50/79/974395079.db2.gz	MCLUDYWDIDQCKM-SFHLNBCPSA-N	1	0	358.482	1.546	20	30		FDEDRO
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)c1ccc(C#N)[nH]1)CCC2	ZINC001199678208	974458365	/nfs/dbraw/zinc/45/83/65/974458365.db2.gz	IVLMRWGINLIJMG-UHFFFAOYSA-N	1	0	368.441	1.329	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cc1ccc(F)cc1	ZINC001110540616	974463203	/nfs/dbraw/zinc/46/32/03/974463203.db2.gz	ZZDBUQGQOIJCEV-WTGUMLROSA-N	1	0	356.441	1.864	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOc1ccc(F)cc1	ZINC001110544854	974591479	/nfs/dbraw/zinc/59/14/79/974591479.db2.gz	IFYBDWQSZGBROU-QRQLOZEOSA-N	1	0	360.429	1.966	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc2ccccc2n1C	ZINC001110546271	974639043	/nfs/dbraw/zinc/63/90/43/974639043.db2.gz	RZVVDMXSRQVWJZ-MGTHKWJCSA-N	1	0	366.465	1.833	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COc1ccccc1	ZINC001110551061	974733881	/nfs/dbraw/zinc/73/38/81/974733881.db2.gz	NHWQNWCHGIPMLY-LFGUQSLTSA-N	1	0	372.465	1.188	20	30		FDEDRO
C=CCOCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccncc2)CCCO1	ZINC001200536905	974811182	/nfs/dbraw/zinc/81/11/82/974811182.db2.gz	JANBIRUJTSFENU-GBESFXJTSA-N	1	0	359.470	1.595	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCO[C@H]2C(C)C)CCCO1	ZINC001200537387	974812196	/nfs/dbraw/zinc/81/21/96/974812196.db2.gz	OMQXIRMEEMFSNE-QYZOEREBSA-N	1	0	366.502	1.295	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1	ZINC001200658581	974874446	/nfs/dbraw/zinc/87/44/46/974874446.db2.gz	QCKSHSYFEYBBMR-HLLBOEOZSA-N	1	0	374.485	1.181	20	30		FDEDRO
C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)CCCO1	ZINC001200722100	974883187	/nfs/dbraw/zinc/88/31/87/974883187.db2.gz	TWPMVECWDFQMST-LZLYRXPVSA-N	1	0	362.474	1.374	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CCCO1	ZINC001201448001	975064425	/nfs/dbraw/zinc/06/44/25/975064425.db2.gz	PLPRONUUJPQIJH-TUVASFSCSA-N	1	0	373.291	1.670	20	30		FDEDRO
COCC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccnc2)CCCO1	ZINC001201454196	975068303	/nfs/dbraw/zinc/06/83/03/975068303.db2.gz	KQPVMMDBTNLKFK-GBESFXJTSA-N	1	0	357.454	1.042	20	30		FDEDRO
N#Cc1c(F)cccc1S(=O)(=O)N1CCC([N@@H+]2CCCOCC2)CC1	ZINC000867400018	975087341	/nfs/dbraw/zinc/08/73/41/975087341.db2.gz	QKQFZQBJXJYAEH-UHFFFAOYSA-N	1	0	367.446	1.573	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccccc2)CCCO1	ZINC001201611820	975097374	/nfs/dbraw/zinc/09/73/74/975097374.db2.gz	INROUOJMJGKBMH-AQNXPRMDSA-N	1	0	356.466	1.995	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCCCOC)C1	ZINC001201621918	975100852	/nfs/dbraw/zinc/10/08/52/975100852.db2.gz	QSADWQDCVWMQTB-BZSNNMDCSA-N	1	0	354.491	1.601	20	30		FDEDRO
CCCCCCC[N@@H+]1CCCn2c(=O)cc(CNC(=O)COC)nc2C1	ZINC001201762692	975143264	/nfs/dbraw/zinc/14/32/64/975143264.db2.gz	QYNQXOIGSOTVKB-UHFFFAOYSA-N	1	0	364.490	1.682	20	30		FDEDRO
CCCCCCC[N@@H+]1CCOC[C@@]2(CN(c3cnn(C)c3)C(=O)CO2)C1	ZINC001201776358	975155211	/nfs/dbraw/zinc/15/52/11/975155211.db2.gz	CSKBZSUUEMAADB-IBGZPJMESA-N	1	0	364.490	1.825	20	30		FDEDRO
C#C[C@H](NC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCO1	ZINC000776223436	975182984	/nfs/dbraw/zinc/18/29/84/975182984.db2.gz	AMLTYAGXBBYRBC-CMKODMSKSA-N	1	0	357.454	1.103	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCN(C(=O)CC)C1)C2	ZINC001110584810	975316855	/nfs/dbraw/zinc/31/68/55/975316855.db2.gz	LPSKKXWMNNZTRO-TVFCKZIOSA-N	1	0	363.502	1.559	20	30		FDEDRO
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1	ZINC000847352074	975516478	/nfs/dbraw/zinc/51/64/78/975516478.db2.gz	AZAGRGHRUQAYIK-KBXIAJHMSA-N	1	0	365.478	1.385	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1	ZINC000652729518	1014282987	/nfs/dbraw/zinc/28/29/87/1014282987.db2.gz	JAGUCFUYIVSXRG-KSZLIROESA-N	1	0	365.518	1.936	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NC(=O)C1CCCC1)C2	ZINC001110590943	975880164	/nfs/dbraw/zinc/88/01/64/975880164.db2.gz	LIAVIGQZILYQTE-HPBDAGMYSA-N	1	0	363.502	1.605	20	30		FDEDRO
CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1cc(F)cc(C#N)c1	ZINC000866740878	975979979	/nfs/dbraw/zinc/97/99/79/975979979.db2.gz	XLWVGVICGSCIJG-UHFFFAOYSA-N	1	0	357.451	1.676	20	30		FDEDRO
C=CCN1CCC(NS(=O)(=O)c2cnn(C)c2Br)CC1	ZINC000866744373	975985293	/nfs/dbraw/zinc/98/52/93/975985293.db2.gz	JQRMPUZRJRKRBG-UHFFFAOYSA-N	1	0	363.281	1.111	20	30		FDEDRO
Cc1nn(C)c(N2CCOCC2)c1C=[NH+]NCc1ccccc1N(C)C	ZINC000794949863	976072779	/nfs/dbraw/zinc/07/27/79/976072779.db2.gz	UDMCUVATFFNXAY-UHFFFAOYSA-N	1	0	356.474	1.755	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C)C2CC[NH2+]CC2)c1	ZINC000866811559	976086978	/nfs/dbraw/zinc/08/69/78/976086978.db2.gz	BMDAKVSYVFAEBV-CYBMUJFWSA-N	1	0	351.472	1.269	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1CC#N	ZINC000867580837	976416737	/nfs/dbraw/zinc/41/67/37/976416737.db2.gz	HAZFGUJCEWGJHQ-UHFFFAOYSA-N	1	0	365.499	1.732	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1	ZINC000848397286	976718374	/nfs/dbraw/zinc/71/83/74/976718374.db2.gz	YRQXLDCHWHOTMK-HOCLYGCPSA-N	1	0	358.442	1.945	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N1CCn2c(CCc3ccccc3)nnc2C1	ZINC000848414432	976723172	/nfs/dbraw/zinc/72/31/72/976723172.db2.gz	MXBFWIZEYCMSJL-KRWDZBQOSA-N	1	0	366.469	1.817	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1	ZINC000867806601	976903158	/nfs/dbraw/zinc/90/31/58/976903158.db2.gz	ARNORFWZEIEUTI-UKRRQHHQSA-N	1	0	363.439	1.060	20	30		FDEDRO
Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000867941250	977119984	/nfs/dbraw/zinc/11/99/84/977119984.db2.gz	FEUHSDFWLBESKY-CWTRNNRKSA-N	1	0	351.454	1.843	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCCN1C(=O)Cc2ccccc21	ZINC000867942721	977120126	/nfs/dbraw/zinc/12/01/26/977120126.db2.gz	VILVLMOZAVKRLN-HXUWFJFHSA-N	1	0	360.417	1.451	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1	ZINC000867949243	977130113	/nfs/dbraw/zinc/13/01/13/977130113.db2.gz	SDWBUBFTIOIVEJ-CTNGQTDRSA-N	1	0	374.444	1.835	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCc1ccc2c(c1)C(=O)NCC2	ZINC000867979188	977163243	/nfs/dbraw/zinc/16/32/43/977163243.db2.gz	GJTRQJJTMKWZLZ-LJQANCHMSA-N	1	0	360.417	1.347	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccncc1	ZINC000848933574	977250533	/nfs/dbraw/zinc/25/05/33/977250533.db2.gz	OOJOITYSBDPONH-OKZBNKHCSA-N	1	0	356.470	1.948	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@@H](O)c1cc2ccccc2s1	ZINC000848994987	977286672	/nfs/dbraw/zinc/28/66/72/977286672.db2.gz	XBOMNKVYBQSICW-OAHLLOKOSA-N	1	0	362.499	1.432	20	30		FDEDRO
CC(C)OC(=O)CCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000849087122	977307921	/nfs/dbraw/zinc/30/79/21/977307921.db2.gz	ZEWBIQNMKXLELN-CYBMUJFWSA-N	1	0	354.451	1.209	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@@H](COC)c1ccc(Cl)cc1	ZINC000849114357	977326705	/nfs/dbraw/zinc/32/67/05/977326705.db2.gz	FNHFONHZBBHAKD-INIZCTEOSA-N	1	0	368.909	1.567	20	30		FDEDRO
N#Cc1ccc(NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1F	ZINC000868159467	977326900	/nfs/dbraw/zinc/32/69/00/977326900.db2.gz	WWXPRWJXXDDIBR-YUELXQCFSA-N	1	0	359.361	1.096	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCC1(N(C)Cc2ccccc2)CCC1	ZINC000849114899	977327000	/nfs/dbraw/zinc/32/70/00/977327000.db2.gz	YIBSLSORBQGJIO-UHFFFAOYSA-N	1	0	373.545	1.538	20	30		FDEDRO
Cc1cccnc1CCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000849115569	977328130	/nfs/dbraw/zinc/32/81/30/977328130.db2.gz	ZCGYYCLDTVOCTA-OAHLLOKOSA-N	1	0	359.474	1.813	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCC[C@@H]3CCOC3)=[NH+]C[C@H]2C1	ZINC000849116489	977328822	/nfs/dbraw/zinc/32/88/22/977328822.db2.gz	LFYLYVSNTFSBGJ-CABCVRRESA-N	1	0	352.479	1.684	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc1C#N	ZINC000868255572	977400538	/nfs/dbraw/zinc/40/05/38/977400538.db2.gz	FIXMFGGFMYGUST-HNNXBMFYSA-N	1	0	370.453	1.744	20	30		FDEDRO
CN(C)C(=O)CN(CC[NH+](C)C)C(=S)Nc1ccc(C#N)c(Cl)c1	ZINC000849292351	977403043	/nfs/dbraw/zinc/40/30/43/977403043.db2.gz	CZUBOSUDIWJPGJ-UHFFFAOYSA-N	1	0	367.906	1.860	20	30		FDEDRO
Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)CCc2cccc(C#N)c2)c1	ZINC000868299975	977470691	/nfs/dbraw/zinc/47/06/91/977470691.db2.gz	RGTLQHQNPVATEI-UHFFFAOYSA-N	1	0	350.422	1.965	20	30		FDEDRO
CN(CCc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2	ZINC000868300118	977470796	/nfs/dbraw/zinc/47/07/96/977470796.db2.gz	SADAZZNBBIWTJF-UHFFFAOYSA-N	1	0	362.433	1.844	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccc4c(C#N)c[nH]c4c3)CC2)C1=O	ZINC000868328463	977500396	/nfs/dbraw/zinc/50/03/96/977500396.db2.gz	GJMFYKGHKNZGOX-GOSISDBHSA-N	1	0	365.437	1.464	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1	ZINC000868359488	977531593	/nfs/dbraw/zinc/53/15/93/977531593.db2.gz	OOPVQRHDXTXIGS-FQEVSTJZSA-N	1	0	356.470	1.740	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccncc2C#N)[C@H](c2cnn(C)c2)C1	ZINC000849546380	977727141	/nfs/dbraw/zinc/72/71/41/977727141.db2.gz	AGBJIBKZEBVLRL-IRXDYDNUSA-N	1	0	352.442	1.561	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccc(C#N)cn2)[C@@H](c2cnn(C)c2)C1	ZINC000849592355	977799128	/nfs/dbraw/zinc/79/91/28/977799128.db2.gz	KYNJLNJSDGENAG-RBUKOAKNSA-N	1	0	366.469	1.817	20	30		FDEDRO
Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2ccc(C#N)c(F)c2)cn1	ZINC000849599869	977821087	/nfs/dbraw/zinc/82/10/87/977821087.db2.gz	DGUQRJGABAMHLG-IAGOWNOFSA-N	1	0	355.417	1.783	20	30		FDEDRO
Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2n[nH]c(C3CC3)c2C#N)cn1	ZINC000849612370	977849074	/nfs/dbraw/zinc/84/90/74/977849074.db2.gz	HTDFRTGVJGLVEY-HIFRSBDPSA-N	1	0	353.430	1.566	20	30		FDEDRO
Cc1[nH]nc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1C#N	ZINC000849612197	977849258	/nfs/dbraw/zinc/84/92/58/977849258.db2.gz	GMHAPVZGQRRWMZ-GDBMZVCRSA-N	1	0	355.446	1.776	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000967884045	1014451843	/nfs/dbraw/zinc/45/18/43/1014451843.db2.gz	KELJMTUHIGXSFP-DOTOQJQBSA-N	1	0	357.458	1.290	20	30		FDEDRO
C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CCC[C@H](CC#N)C2)CC1	ZINC000850541583	978424140	/nfs/dbraw/zinc/42/41/40/978424140.db2.gz	YEAWABRAGCVTIM-MRXNPFEDSA-N	1	0	369.469	1.529	20	30		FDEDRO
CCN(C(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N)[C@H]1CC[N@H+](CC)C1	ZINC000850607824	978478198	/nfs/dbraw/zinc/47/81/98/978478198.db2.gz	RVNOBVIOQKUHBP-GJZGRUSLSA-N	1	0	358.442	1.859	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3c1OCCO3)C2	ZINC001110625845	978707087	/nfs/dbraw/zinc/70/70/87/978707087.db2.gz	UBUGKPQSZMPGCZ-OIISXLGYSA-N	1	0	358.438	1.996	20	30		FDEDRO
N#Cc1cccnc1NCCNC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1	ZINC000851654727	978985915	/nfs/dbraw/zinc/98/59/15/978985915.db2.gz	GRSZJDLMAXYZAS-KRWDZBQOSA-N	1	0	356.474	1.786	20	30		FDEDRO
CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1	ZINC000851733801	979021209	/nfs/dbraw/zinc/02/12/09/979021209.db2.gz	HBCYBEWCKFTUMV-MRXNPFEDSA-N	1	0	368.374	1.660	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2cccc(F)c2C#N)CCO1	ZINC000851887322	979160965	/nfs/dbraw/zinc/16/09/65/979160965.db2.gz	VFSSQZFXZJOHOJ-CYBMUJFWSA-N	1	0	355.435	1.429	20	30		FDEDRO
CO[C@@H]1COCC[C@H]1[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N	ZINC000880431174	979190938	/nfs/dbraw/zinc/19/09/38/979190938.db2.gz	SSTCUGNHWFFYPR-ZTFGCOKTSA-N	1	0	366.421	1.959	20	30		FDEDRO
C#C[C@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)C1CCOCC1	ZINC000851940941	979205188	/nfs/dbraw/zinc/20/51/88/979205188.db2.gz	FLBCKQRQCQEXHL-SFHVURJKSA-N	1	0	371.485	1.061	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(COC)CCOCC1)C2	ZINC001110638942	979219416	/nfs/dbraw/zinc/21/94/16/979219416.db2.gz	YDRWBEFZASTPDT-ZACQAIPSSA-N	1	0	352.475	1.354	20	30		FDEDRO
C#CCC1(O)CC[NH+](CC(=O)N2CCN(Cc3ccccc3C)CC2)CC1	ZINC000880478179	979219604	/nfs/dbraw/zinc/21/96/04/979219604.db2.gz	WKGHNDYKQOXXDB-UHFFFAOYSA-N	1	0	369.509	1.489	20	30		FDEDRO
C#CCC1(O)CC[NH+](C[C@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000880482682	979223419	/nfs/dbraw/zinc/22/34/19/979223419.db2.gz	OHIFSQUGXPHFQX-FQEVSTJZSA-N	1	0	366.502	1.989	20	30		FDEDRO
C#CCC1(O)CC[NH+](C[C@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000880482232	979223449	/nfs/dbraw/zinc/22/34/49/979223449.db2.gz	BQHUDGZFMOHMHR-KRWDZBQOSA-N	1	0	366.502	1.845	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H]([N@@H+]3C[C@H](O)CC4(CCOCC4)C3)C2=O)cc1	ZINC000880585493	979331206	/nfs/dbraw/zinc/33/12/06/979331206.db2.gz	XOGCVMLGIJPBBR-QZTJIDSGSA-N	1	0	355.438	1.527	20	30		FDEDRO
C#C[C@@](C)(CC)[NH2+]CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098146	979350196	/nfs/dbraw/zinc/35/01/96/979350196.db2.gz	GGTOZIUIQILZCT-XLIONFOSSA-N	1	0	355.438	1.760	20	30		FDEDRO
C#C[C@](C)(CC)[NH2+]CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1	ZINC000852100886	979351239	/nfs/dbraw/zinc/35/12/39/979351239.db2.gz	BKPJZMFPWWRFNM-OAQYLSRUSA-N	1	0	355.482	1.657	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)NCC2CC[NH+](CCC)CC2)cc1	ZINC000128631038	979440485	/nfs/dbraw/zinc/44/04/85/979440485.db2.gz	DQAZUHJIVOZTBN-UHFFFAOYSA-N	1	0	357.454	1.875	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2ccc(OC)c(C#N)c2)CC1	ZINC000880876616	979507037	/nfs/dbraw/zinc/50/70/37/979507037.db2.gz	YDTBLNKENJAKKH-UHFFFAOYSA-N	1	0	373.457	1.585	20	30		FDEDRO
C[C@@H]1CN(C(=O)Nc2cccc(CC#N)n2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000881148856	979718058	/nfs/dbraw/zinc/71/80/58/979718058.db2.gz	GQGWHTWZEVRINW-NVXWUHKLSA-N	1	0	356.474	1.637	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1	ZINC000968043016	1014603222	/nfs/dbraw/zinc/60/32/22/1014603222.db2.gz	ACGHAGCRFGBEKZ-SQNIBIBYSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C(Br)Cn1cc(Cn2ccc(C[NH2+]CCOC)n2)nn1	ZINC000881428352	979936254	/nfs/dbraw/zinc/93/62/54/979936254.db2.gz	FVYGFAXCNNBQHJ-UHFFFAOYSA-N	1	0	355.240	1.168	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1coc(S(N)(=O)=O)c1)C2	ZINC001110732551	981692099	/nfs/dbraw/zinc/69/20/99/981692099.db2.gz	JZFMWQXEJXGBHG-NGFQHRJXSA-N	1	0	367.471	1.617	20	30		FDEDRO
C[N@H+](CCNc1cc(Br)c(C#N)cc1F)CCOCCO	ZINC000882951751	981822358	/nfs/dbraw/zinc/82/23/58/981822358.db2.gz	SSDYSGBXAYAEOD-UHFFFAOYSA-N	1	0	360.227	1.812	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000858189884	981902871	/nfs/dbraw/zinc/90/28/71/981902871.db2.gz	VCXZREONYSCZIF-MRXNPFEDSA-N	1	0	350.507	1.273	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1	ZINC000858210889	981917180	/nfs/dbraw/zinc/91/71/80/981917180.db2.gz	ZYPCQRXRFMISDK-SFHVURJKSA-N	1	0	359.470	1.999	20	30		FDEDRO
C#CCOc1ccc([C@H](C)[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)cc1	ZINC000858465774	982064872	/nfs/dbraw/zinc/06/48/72/982064872.db2.gz	MQZNQALFUZWVPO-UWJYYQICSA-N	1	0	358.482	1.965	20	30		FDEDRO
C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000883390232	982108762	/nfs/dbraw/zinc/10/87/62/982108762.db2.gz	IIGSKXZERRPVJF-WBVHZDCISA-N	1	0	368.499	1.685	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)ccc1C1CC1	ZINC000883607352	982303879	/nfs/dbraw/zinc/30/38/79/982303879.db2.gz	SFMIGMVHCWOJPS-UHFFFAOYSA-N	1	0	352.438	1.976	20	30		FDEDRO
CCC1([NH+]2CCCCC2)CCN(C(=O)NCCn2cnc(C#N)n2)CC1	ZINC000883642710	982338929	/nfs/dbraw/zinc/33/89/29/982338929.db2.gz	SUAUBEXSYMBKEL-UHFFFAOYSA-N	1	0	359.478	1.590	20	30		FDEDRO
COC[C@](C)(CCO)[NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N	ZINC000132592219	982390836	/nfs/dbraw/zinc/39/08/36/982390836.db2.gz	JPKBWQKOMNCMLH-KUHUBIRLSA-N	1	0	354.410	1.601	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	ZINC000859025998	982464932	/nfs/dbraw/zinc/46/49/32/982464932.db2.gz	ZSYHQRUPWDTTGO-SFHVURJKSA-N	1	0	365.518	1.997	20	30		FDEDRO
C=C(C)C[C@@H](CO)NC(=O)NC[C@H]1CN(Cc2ccc(C)cc2)CCO1	ZINC000883803876	982481102	/nfs/dbraw/zinc/48/11/02/982481102.db2.gz	QPSXUADBWBFDAB-OALUTQOASA-N	1	0	361.486	1.822	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@H]1CN(C2CCCCC2)C(=O)O1	ZINC000828097755	982503549	/nfs/dbraw/zinc/50/35/49/982503549.db2.gz	BPRIQTCBNNNKRL-AWEZNQCLSA-N	1	0	360.462	1.881	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]C2CCN(C(=O)[C@H]3CC[C@@H](C)O3)CC2)c1	ZINC001202575683	982613129	/nfs/dbraw/zinc/61/31/29/982613129.db2.gz	UWLDLNKKONKULG-DNVCBOLYSA-N	1	0	369.465	1.755	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)/C=C\c2ccc(S(C)(=O)=O)o2)CC1	ZINC000859251158	982646430	/nfs/dbraw/zinc/64/64/30/982646430.db2.gz	YDXKHVYAKOBRJM-XQRVVYSFSA-N	1	0	352.456	1.853	20	30		FDEDRO
CCOC(=O)N1CCC([C@H](C)[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CC1	ZINC000859260302	982654700	/nfs/dbraw/zinc/65/47/00/982654700.db2.gz	QNHMYNNRLMZKCE-RDJZCZTQSA-N	1	0	367.490	1.904	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N(C)Cc1ccc(C[NH+](C)C)cc1	ZINC000800039706	982714475	/nfs/dbraw/zinc/71/44/75/982714475.db2.gz	SHXIJQBXSKTDPO-OAHLLOKOSA-N	1	0	352.504	1.906	20	30		FDEDRO
COc1cc(CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc(OC)c1OC	ZINC000884059324	982788193	/nfs/dbraw/zinc/78/81/93/982788193.db2.gz	NQUUKUQABKWCKB-SHYRYGCCSA-N	1	0	359.426	1.468	20	30		FDEDRO
CCCCCNC(=O)C1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1	ZINC000884079595	982835255	/nfs/dbraw/zinc/83/52/55/982835255.db2.gz	UWKXFVTZMFZNOG-GNZRSQJKSA-N	1	0	360.502	1.671	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1cccc(N3CCCC3=O)c1)C2	ZINC000884082379	982838239	/nfs/dbraw/zinc/83/82/39/982838239.db2.gz	DVUNUYZMMHTBIK-LFDOHDQPSA-N	1	0	352.438	1.569	20	30		FDEDRO
CNC(=O)Cn1ccc2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)cc21	ZINC000884116236	982893211	/nfs/dbraw/zinc/89/32/11/982893211.db2.gz	PSFBAKBPEUGUCZ-RDYUPDBUSA-N	1	0	365.437	1.465	20	30		FDEDRO
C[C@H]([NH3+])CN(C)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1	ZINC000859635807	982952299	/nfs/dbraw/zinc/95/22/99/982952299.db2.gz	YBTGTQHWUWRCLF-IBPDABBASA-N	1	0	367.475	1.310	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCC[C@H]1C(=O)Nc1nccs1)C2	ZINC000884192781	982968856	/nfs/dbraw/zinc/96/88/56/982968856.db2.gz	NWWCATIFZVIPRX-UDRCLVEDSA-N	1	0	359.455	1.212	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1ccccc1N1CCC(O)CC1)C2	ZINC000884197088	982972264	/nfs/dbraw/zinc/97/22/64/982972264.db2.gz	JVIMMNOGFASEAF-CHWWFWEZSA-N	1	0	354.454	1.726	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCN(Cc3cccc(O)c3)CC1)C2	ZINC000884210436	982986472	/nfs/dbraw/zinc/98/64/72/982986472.db2.gz	ZRFCDZWZFIBOTI-OHTSDLOESA-N	1	0	354.454	1.176	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000884219830	982994177	/nfs/dbraw/zinc/99/41/77/982994177.db2.gz	YUINQRNSGUAUCQ-ROUUACIJSA-N	1	0	359.470	1.414	20	30		FDEDRO
Cc1ccc(CN2CCOCC2)cc1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884224790	982998734	/nfs/dbraw/zinc/99/87/34/982998734.db2.gz	ZBEOIDZQNHKAIA-IDYZSHNDSA-N	1	0	368.481	1.905	20	30		FDEDRO
N#Cc1ccc(C2([NH2+][C@@H]3CCN(C4CCOCC4)C3=O)CCOCC2)cc1	ZINC000859882364	983060111	/nfs/dbraw/zinc/06/01/11/983060111.db2.gz	RGNVFWCFHAGNJR-LJQANCHMSA-N	1	0	369.465	1.933	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)[N@@H+]1CCCC[C@H]1C	ZINC000332560722	983075444	/nfs/dbraw/zinc/07/54/44/983075444.db2.gz	RDFIWBULOIRUNH-ZIAGYGMSSA-N	1	0	374.489	1.827	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)cc1C#N	ZINC000884592587	983264159	/nfs/dbraw/zinc/26/41/59/983264159.db2.gz	RFJNEIMNHOOHJG-HXUWFJFHSA-N	1	0	370.453	1.175	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H]4CCC[C@]4(C[NH3+])C3)cc2C1=O	ZINC000653197352	1014944568	/nfs/dbraw/zinc/94/45/68/1014944568.db2.gz	BDKVEDOWPCPCNO-XOBRGWDASA-N	1	0	353.422	1.670	20	30		FDEDRO
COC(=O)CCN1CCN(C(=O)C(C)(C)c2ccc(C#N)cc2)[C@H](C)C1	ZINC000860599170	983454486	/nfs/dbraw/zinc/45/44/86/983454486.db2.gz	XMPARYHWSWQALX-OAHLLOKOSA-N	1	0	357.454	1.932	20	30		FDEDRO
N#CC1(COC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC[NH+](Cc2ccccc2)CC1	ZINC000860856053	983540075	/nfs/dbraw/zinc/54/00/75/983540075.db2.gz	DKYYCVPICIVQRV-DLBZAZTESA-N	1	0	371.437	1.368	20	30		FDEDRO
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N(C)C[C@@H](C)[NH3+]	ZINC000861539537	983769606	/nfs/dbraw/zinc/76/96/06/983769606.db2.gz	NSDVZWBINCSPIY-CYBMUJFWSA-N	1	0	367.409	1.798	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])cc1	ZINC000861540466	983770403	/nfs/dbraw/zinc/77/04/03/983770403.db2.gz	NRLPOHSANGYPKC-CQSZACIVSA-N	1	0	358.442	1.245	20	30		FDEDRO
CCCC[C@H](ON=C(C)C)C(=O)NC[C@]1(CO)COCC2(CCC2)N1C	ZINC000862641525	984453685	/nfs/dbraw/zinc/45/36/85/984453685.db2.gz	BOZYNUOOYWPDIS-LPHOPBHVSA-N	1	0	369.506	1.690	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](Cc2cccc(OC)c2)C(=O)OC)CC1	ZINC000862725853	984507168	/nfs/dbraw/zinc/50/71/68/984507168.db2.gz	YKIFHDAGJZGXBP-GOSISDBHSA-N	1	0	358.438	1.241	20	30		FDEDRO
C[C@@H](CNC(=O)Nc1ccc(F)cc1OCC#N)C[NH+]1CCN(C)CC1	ZINC000135340584	984670856	/nfs/dbraw/zinc/67/08/56/984670856.db2.gz	UJJWJBYRKIUUDB-AWEZNQCLSA-N	1	0	363.437	1.733	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NCC[C@H]([NH3+])Cc1ccccc1	ZINC000884889501	984935359	/nfs/dbraw/zinc/93/53/59/984935359.db2.gz	HYBLDJNGKLFVHV-ZDUSSCGKSA-N	1	0	354.248	1.088	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC[C@H]([NH3+])Cc1ccccc1	ZINC000884894465	984939882	/nfs/dbraw/zinc/93/98/82/984939882.db2.gz	SICXJOCJFPWTOA-IBGZPJMESA-N	1	0	364.449	1.593	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCc3ccccc3[C@@H](C)C2)CC1	ZINC000653392839	1015119087	/nfs/dbraw/zinc/11/90/87/1015119087.db2.gz	LTPSEGQKQUJRDI-INIZCTEOSA-N	1	0	355.482	1.941	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](CC)OC[C@@H]2CC)CC1	ZINC000653393107	1015119260	/nfs/dbraw/zinc/11/92/60/1015119260.db2.gz	SKGNSIHABUEOSS-DLBZAZTESA-N	1	0	351.491	1.559	20	30		FDEDRO
Cn1cc(C(=O)NCC2CC[NH+](C[C@H](O)CC3(C#N)CCC3)CC2)cn1	ZINC000886017271	985832884	/nfs/dbraw/zinc/83/28/84/985832884.db2.gz	WJGKZZAVRXHBGQ-QGZVFWFLSA-N	1	0	359.474	1.307	20	30		FDEDRO
C#CCN1CCC[C@H]([NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1	ZINC000886211108	985975586	/nfs/dbraw/zinc/97/55/86/985975586.db2.gz	JFZSGVOXZLCVHP-HNNXBMFYSA-N	1	0	361.398	1.334	20	30		FDEDRO
CC[C@H](C[NH+](C)C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000870550786	986115189	/nfs/dbraw/zinc/11/51/89/986115189.db2.gz	TVQLNQFVTKVNKK-TZMCWYRMSA-N	1	0	353.444	1.108	20	30		FDEDRO
C#CC[N@@H+](CCN1CCOC1=O)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886426052	986201604	/nfs/dbraw/zinc/20/16/04/986201604.db2.gz	FSONERIVMGINPL-UHFFFAOYSA-N	1	0	351.447	1.773	20	30		FDEDRO
N#Cc1ncn(CCNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)n1	ZINC000795140242	986204925	/nfs/dbraw/zinc/20/49/25/986204925.db2.gz	XHRPRWHXMXKATQ-UHFFFAOYSA-N	1	0	369.498	1.278	20	30		FDEDRO
C#CCN(C(=O)Cn1cnc(-c2ccccc2)cc1=O)C1CC[NH+](C)CC1	ZINC000886570922	986370619	/nfs/dbraw/zinc/37/06/19/986370619.db2.gz	CFPXTXCISZVRHZ-UHFFFAOYSA-N	1	0	364.449	1.466	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1)C1CC[NH+](C)CC1	ZINC000886573331	986372514	/nfs/dbraw/zinc/37/25/14/986372514.db2.gz	FNHAZQYYSNRLJP-GOSISDBHSA-N	1	0	353.466	1.705	20	30		FDEDRO
C#CCN(C(=O)C1CCN(Cc2nccn2C)CC1)C1CC[NH+](C)CC1	ZINC000886581416	986383881	/nfs/dbraw/zinc/38/38/81/986383881.db2.gz	WRECARWWFXRTME-UHFFFAOYSA-N	1	0	357.502	1.188	20	30		FDEDRO
C#CCN(C(=O)c1cccc(S(=O)(=O)NCC)c1)C1CC[NH+](C)CC1	ZINC000886587051	986391145	/nfs/dbraw/zinc/39/11/45/986391145.db2.gz	DXZNMLSCJXEDBJ-UHFFFAOYSA-N	1	0	363.483	1.154	20	30		FDEDRO
C#CCN(C(=O)COc1ccc(N2CCCC2=O)cc1)C1CC[NH+](C)CC1	ZINC000886585425	986391826	/nfs/dbraw/zinc/39/18/26/986391826.db2.gz	WGANMEYBYZGQQZ-UHFFFAOYSA-N	1	0	369.465	1.748	20	30		FDEDRO
C#CCN(C(=O)CN1c2ccccc2SCC1=O)C1CC[NH+](C)CC1	ZINC000886587479	986393427	/nfs/dbraw/zinc/39/34/27/986393427.db2.gz	XYRHTWHFGQZEGU-UHFFFAOYSA-N	1	0	357.479	1.681	20	30		FDEDRO
C#CCN(C(=O)c1ccc(S(=O)(=O)NCC)cc1)C1CC[NH+](C)CC1	ZINC000886587419	986393644	/nfs/dbraw/zinc/39/36/44/986393644.db2.gz	VPLPMQIQBDFXPU-UHFFFAOYSA-N	1	0	363.483	1.154	20	30		FDEDRO
C=CCC1(O)CC[NH+](CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000886776758	986579448	/nfs/dbraw/zinc/57/94/48/986579448.db2.gz	OHSXWCRHXWHLJA-UHFFFAOYSA-N	1	0	353.507	1.942	20	30		FDEDRO
C=CCn1c(Cc2cc(C)[nH]n2)nnc1N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1	ZINC000871049823	986616270	/nfs/dbraw/zinc/61/62/70/986616270.db2.gz	SQBSIBOZQDSANK-IYBDPMFKSA-N	1	0	373.505	1.632	20	30		FDEDRO
C=CCn1c([C@@H]2CCO[C@H]2C)nnc1N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000871051108	986617301	/nfs/dbraw/zinc/61/73/01/986617301.db2.gz	PFGVYZSHTDRDSV-FUHWJXTLSA-N	1	0	374.533	1.573	20	30		FDEDRO
C=CCn1c([C@@H]2CCOC2)nnc1N(CCOC)CC1CC[NH+](C)CC1	ZINC000871054471	986621984	/nfs/dbraw/zinc/62/19/84/986621984.db2.gz	SYQYDBRYAKELSP-QGZVFWFLSA-N	1	0	363.506	1.763	20	30		FDEDRO
C=C(C)Cn1c(-c2cc[nH]n2)nnc1N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000871101676	986671979	/nfs/dbraw/zinc/67/19/79/986671979.db2.gz	WJTHZLHOKCGBLN-UHFFFAOYSA-N	1	0	370.505	1.461	20	30		FDEDRO
CCN1CCC([NH+]2CCC(C(=O)N(CC#N)CCC(=O)OC)CC2)CC1	ZINC000871343511	986912276	/nfs/dbraw/zinc/91/22/76/986912276.db2.gz	CANJTDMZFWTJIZ-UHFFFAOYSA-N	1	0	364.490	1.098	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(-c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)cc1	ZINC000871796662	987244953	/nfs/dbraw/zinc/24/49/53/987244953.db2.gz	FCYMBACQWGNCHL-GOOCMWNKSA-N	1	0	372.450	1.646	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c(C#N)c1	ZINC000871805061	987250248	/nfs/dbraw/zinc/25/02/48/987250248.db2.gz	MHUWNZPMGRHXRU-BBWFWOEESA-N	1	0	363.483	1.916	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NC2CCC(N3CC[NH2+]CC3)CC2)c(C#N)c1	ZINC000871805987	987251322	/nfs/dbraw/zinc/25/13/22/987251322.db2.gz	UQNUUKVHGNCJFE-UHFFFAOYSA-N	1	0	362.499	1.361	20	30		FDEDRO
CC(C)(O)C[C@@H](O)C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000871976106	987394078	/nfs/dbraw/zinc/39/40/78/987394078.db2.gz	BKDSOIJNKABMAZ-MRXNPFEDSA-N	1	0	354.454	1.750	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1	ZINC000872187309	987488543	/nfs/dbraw/zinc/48/85/43/987488543.db2.gz	UGKNFLYOWISDHL-KBPBESRZSA-N	1	0	368.359	1.112	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+]C[C@@H](O)COc1cc(Cl)cc(Cl)c1	ZINC000872205978	987514924	/nfs/dbraw/zinc/51/49/24/987514924.db2.gz	NINFWWOSYGSSDQ-CYBMUJFWSA-N	1	0	368.282	1.924	20	30		FDEDRO
N#Cc1ccccc1N1CCC([NH2+]C[C@@H](O)CC2(O)CCOCC2)CC1	ZINC000872218840	987521360	/nfs/dbraw/zinc/52/13/60/987521360.db2.gz	BCGYDEVNVDRMLQ-SFHVURJKSA-N	1	0	359.470	1.409	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CC(=O)c3ccccc3O2)cc1	ZINC000872233169	987532150	/nfs/dbraw/zinc/53/21/50/987532150.db2.gz	OSPKNEULILHZOH-HNNXBMFYSA-N	1	0	370.430	1.956	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)NCCC[N@@H+]1CCCO[C@H](C)C1	ZINC000872478745	987703326	/nfs/dbraw/zinc/70/33/26/987703326.db2.gz	ASMJZZZEMPYHPQ-OAHLLOKOSA-N	1	0	351.472	1.646	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C)cc1C#N	ZINC000872510053	987733420	/nfs/dbraw/zinc/73/34/20/987733420.db2.gz	HDSGHKJBXSCEIR-UHFFFAOYSA-N	1	0	365.499	1.846	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1	ZINC000293082456	987963566	/nfs/dbraw/zinc/96/35/66/987963566.db2.gz	AAVJACKRVBRUGE-LJQANCHMSA-N	1	0	356.426	1.450	20	30		FDEDRO
C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)Nc2ccc(C#N)cn2)C1	ZINC000293214046	987991485	/nfs/dbraw/zinc/99/14/85/987991485.db2.gz	ZVOCUFMGEMAFEO-HUUCEWRRSA-N	1	0	357.458	1.766	20	30		FDEDRO
C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3cccc(OCC#N)c3)C2)C1	ZINC000293232318	987998797	/nfs/dbraw/zinc/99/87/97/987998797.db2.gz	DVHARHSERXPVCW-LJQANCHMSA-N	1	0	356.426	1.472	20	30		FDEDRO
N#Cc1ccccc1CN1C(=O)CN(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)C1=O	ZINC000872723093	988008785	/nfs/dbraw/zinc/00/87/85/988008785.db2.gz	XYFFGTPCYAJMLY-IRXDYDNUSA-N	1	0	370.478	1.965	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)c1	ZINC000293342377	988040389	/nfs/dbraw/zinc/04/03/89/988040389.db2.gz	CXACDHLPGHZLKM-DFNIBXOVSA-N	1	0	369.465	1.707	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(-c2ccccc2C)nn1C	ZINC000293396439	988060514	/nfs/dbraw/zinc/06/05/14/988060514.db2.gz	NZZKCZXMLKAEBN-UHFFFAOYSA-N	1	0	367.453	1.405	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1	ZINC000293483448	988088294	/nfs/dbraw/zinc/08/82/94/988088294.db2.gz	VUMWWGIYOHTLQH-UHFFFAOYSA-N	1	0	371.416	1.330	20	30		FDEDRO
C=CCCn1cc(CN(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1	ZINC000653625984	1015369398	/nfs/dbraw/zinc/36/93/98/1015369398.db2.gz	ZZSSHNPEFOPXEG-HXUWFJFHSA-N	1	0	355.486	1.923	20	30		FDEDRO
C#CCN(CC)C(=O)C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000299219661	988241960	/nfs/dbraw/zinc/24/19/60/988241960.db2.gz	YNSRNYUMYZOZAR-UHFFFAOYSA-N	1	0	356.470	1.244	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1	ZINC000361013864	988247818	/nfs/dbraw/zinc/24/78/18/988247818.db2.gz	WKSIDVOVLPCHJR-KRWDZBQOSA-N	1	0	372.469	1.184	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)CC1	ZINC000361144478	988282025	/nfs/dbraw/zinc/28/20/25/988282025.db2.gz	RDZAVEQZEVUNBM-KRWDZBQOSA-N	1	0	371.481	1.744	20	30		FDEDRO
CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC000873018627	988423802	/nfs/dbraw/zinc/42/38/02/988423802.db2.gz	OQNUHKUFWNKZKO-MRXNPFEDSA-N	1	0	358.490	1.905	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1	ZINC000873106722	988565032	/nfs/dbraw/zinc/56/50/32/988565032.db2.gz	KHYXUMKGHIMHQH-VXGBXAGGSA-N	1	0	369.343	1.233	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1	ZINC000362066306	988572863	/nfs/dbraw/zinc/57/28/63/988572863.db2.gz	MYDWVVOKFRFQNO-ABSDTBQOSA-N	1	0	370.497	1.810	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000362718765	988714644	/nfs/dbraw/zinc/71/46/44/988714644.db2.gz	BAEAHLPPZXGKNF-UZLBHIALSA-N	1	0	369.513	1.986	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)N[C@H]2CCC[N@@H+](C3CCCCC3)C2)CC1	ZINC000362861282	988754266	/nfs/dbraw/zinc/75/42/66/988754266.db2.gz	YGVQOOOCUOZZSZ-SFHVURJKSA-N	1	0	374.529	1.955	20	30		FDEDRO
N#CCOc1ccc(CC(=O)N2CCC[N@@H+](C3CCOCC3)CC2)cc1	ZINC000362910742	988775325	/nfs/dbraw/zinc/77/53/25/988775325.db2.gz	LXUNNDMWEUEVFM-UHFFFAOYSA-N	1	0	357.454	1.845	20	30		FDEDRO
C=CCN1CC[C@@H]([NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)C1=O	ZINC000366835273	988804909	/nfs/dbraw/zinc/80/49/09/988804909.db2.gz	NKGSSODXPQOGDD-MRXNPFEDSA-N	1	0	371.437	1.853	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cn1	ZINC000367388619	988948011	/nfs/dbraw/zinc/94/80/11/988948011.db2.gz	QGQIBVZQYVQHLP-HXUWFJFHSA-N	1	0	363.465	1.993	20	30		FDEDRO
N#Cc1ccc(SCC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1	ZINC000363217587	989001611	/nfs/dbraw/zinc/00/16/11/989001611.db2.gz	ACUWFGMSUCIKLT-KRWDZBQOSA-N	1	0	374.510	1.173	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(NC(=O)c2cc(C)on2)CC1	ZINC000368802249	989009385	/nfs/dbraw/zinc/00/93/85/989009385.db2.gz	KJNKXFSBMZSLFO-OAHLLOKOSA-N	1	0	360.458	1.766	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(-n3nccn3)c2)CC1	ZINC000873705812	989026321	/nfs/dbraw/zinc/02/63/21/989026321.db2.gz	IJKDLUFSPGZCKQ-UHFFFAOYSA-N	1	0	368.441	1.363	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3cccc(OC)c3)C2)CC1	ZINC000369590275	989062010	/nfs/dbraw/zinc/06/20/10/989062010.db2.gz	DGSKGYQCTWXXDD-INIZCTEOSA-N	1	0	369.465	1.652	20	30		FDEDRO
CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(OC)c(C#N)c2)CC1	ZINC000873733853	989086971	/nfs/dbraw/zinc/08/69/71/989086971.db2.gz	RPXCHANULUJNPH-UHFFFAOYSA-N	1	0	358.442	1.744	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1	ZINC000363383037	989148590	/nfs/dbraw/zinc/14/85/90/989148590.db2.gz	IEUDLAILGMLDCJ-CVEARBPZSA-N	1	0	364.490	1.501	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)CC1	ZINC000369758567	989150182	/nfs/dbraw/zinc/15/01/82/989150182.db2.gz	ZBYOKGJVXAHBFZ-SFHVURJKSA-N	1	0	369.465	1.601	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)C2CCN(c3nccc(OC)n3)CC2)CC1	ZINC000363422968	989186268	/nfs/dbraw/zinc/18/62/68/989186268.db2.gz	QQUYHRJBOZZOEW-UHFFFAOYSA-N	1	0	371.485	1.306	20	30		FDEDRO
N#Cc1cccc(/C=C/C(=O)NC2CC[NH+](CC(=O)N3CCCC3)CC2)c1	ZINC000363651535	989369165	/nfs/dbraw/zinc/36/91/65/989369165.db2.gz	MPCDLJBYOMXYKI-VOTSOKGWSA-N	1	0	366.465	1.774	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)cc1C(=O)OCC	ZINC000873895931	989409578	/nfs/dbraw/zinc/40/95/78/989409578.db2.gz	IFYRFDNMKKXVQS-UHFFFAOYSA-N	1	0	363.389	1.012	20	30		FDEDRO
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000296978979	989455071	/nfs/dbraw/zinc/45/50/71/989455071.db2.gz	WNZJIBPNWAZYGX-HNNXBMFYSA-N	1	0	360.462	1.362	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCNC(=O)Nc1ncccc1OCCCC#N	ZINC000296985469	989456781	/nfs/dbraw/zinc/45/67/81/989456781.db2.gz	TYVPKKRGXIXWRO-UHFFFAOYSA-N	1	0	362.478	1.769	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCCN(c2ncccc2C#N)CC1	ZINC000363969099	989467675	/nfs/dbraw/zinc/46/76/75/989467675.db2.gz	XTAVUJCYLCEWPL-MAUKXSAKSA-N	1	0	368.485	1.658	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccccc1	ZINC000297322393	989514567	/nfs/dbraw/zinc/51/45/67/989514567.db2.gz	IXFREMWGXAUSOH-RBUKOAKNSA-N	1	0	359.470	1.476	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)c2cnn(CC[NH+]3CCCCC3)c2)n1	ZINC000364449519	989571801	/nfs/dbraw/zinc/57/18/01/989571801.db2.gz	UYZAZDACKMAKGB-UHFFFAOYSA-N	1	0	368.485	1.861	20	30		FDEDRO
COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1	ZINC000370234986	989576244	/nfs/dbraw/zinc/57/62/44/989576244.db2.gz	BMNDVAOTVNIERP-VQTJNVASSA-N	1	0	370.497	1.873	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000364517768	989613736	/nfs/dbraw/zinc/61/37/36/989613736.db2.gz	KZMKGBBCCHVZCV-MDASCCDHSA-N	1	0	366.465	1.648	20	30		FDEDRO
C[NH+]1CCC(n2ccc(N[C@@H]3CCN(c4sccc4C#N)C3=O)n2)CC1	ZINC000364606400	989674626	/nfs/dbraw/zinc/67/46/26/989674626.db2.gz	NDDVIINMPCRSCI-OAHLLOKOSA-N	1	0	370.482	2.300	20	30		FDEDRO
N#Cc1cccc(CNC(=O)CN2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)c1	ZINC000370354542	989683010	/nfs/dbraw/zinc/68/30/10/989683010.db2.gz	DRWRNVNAAPYVRB-MOPGFXCFSA-N	1	0	356.470	1.096	20	30		FDEDRO
C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@]1(C#N)CCc2ccccc2C1	ZINC000370373208	989697028	/nfs/dbraw/zinc/69/70/28/989697028.db2.gz	BVLIUHFYIGUYNQ-LAUBAEHRSA-N	1	0	354.498	1.827	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1	ZINC000874120228	989768056	/nfs/dbraw/zinc/76/80/56/989768056.db2.gz	SRJIXGOPRHOWIQ-UHFFFAOYSA-N	1	0	358.442	1.884	20	30		FDEDRO
C[NH+]1CCN(C[C@@H]2CN(C(=O)CSc3ccc(C#N)cc3)CCO2)CC1	ZINC000370840884	990034071	/nfs/dbraw/zinc/03/40/71/990034071.db2.gz	XSMOJPOIARICNB-QGZVFWFLSA-N	1	0	374.510	1.125	20	30		FDEDRO
CC[C@H](C)[N@H+](C)CCNC(=O)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000371098965	990247960	/nfs/dbraw/zinc/24/79/60/990247960.db2.gz	JEJQJOGNOGYOFG-BXTJHSDWSA-N	1	0	369.469	1.772	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1)n1cnc(C#N)n1	ZINC000874510137	990339191	/nfs/dbraw/zinc/33/91/91/990339191.db2.gz	JIIVBLWICKOKCP-OXFYSEKESA-N	1	0	364.453	1.691	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C[C@@H](O)COc1ccc(C#N)cc1	ZINC000371295543	990344010	/nfs/dbraw/zinc/34/40/10/990344010.db2.gz	SHBNRVXUKNEYJE-LFGUQSLTSA-N	1	0	359.470	1.481	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2	ZINC000874589208	990397816	/nfs/dbraw/zinc/39/78/16/990397816.db2.gz	ZOEKVVCNTUXWHO-YVSFHVDLSA-N	1	0	361.486	1.988	20	30		FDEDRO
N#C[C@H]1CN(C(=O)NCC2CC[NH+](CCc3ccccc3)CC2)CCO1	ZINC000371549816	990517396	/nfs/dbraw/zinc/51/73/96/990517396.db2.gz	ZXXCBHQXKHKIBW-IBGZPJMESA-N	1	0	356.470	1.875	20	30		FDEDRO
Cc1c(C(=O)N(C)[C@H](C)CC#N)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000371586475	990549354	/nfs/dbraw/zinc/54/93/54/990549354.db2.gz	UAHYGVNXHHXDAB-CYBMUJFWSA-N	1	0	352.442	1.938	20	30		FDEDRO
C[C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)n1cnc(C#N)n1	ZINC000409534963	990591749	/nfs/dbraw/zinc/59/17/49/990591749.db2.gz	LLTQGINOLJFVMF-HNNXBMFYSA-N	1	0	352.442	1.739	20	30		FDEDRO
C[C@@H](CNC(=O)c1ccn(-c2cccc(C#N)c2)n1)N1CC[NH+](C)CC1	ZINC000409744039	990794405	/nfs/dbraw/zinc/79/44/05/990794405.db2.gz	CQJIGPWPKBZHQK-HNNXBMFYSA-N	1	0	352.442	1.110	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(C)(C)CN1CCn2ccnc2C1	ZINC000371888734	990800149	/nfs/dbraw/zinc/80/01/49/990800149.db2.gz	RBVPUFPYTWCEFZ-UHFFFAOYSA-N	1	0	360.506	1.419	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1	ZINC000371906198	990815849	/nfs/dbraw/zinc/81/58/49/990815849.db2.gz	QNFQHVQMYFPXFD-LXZKKBNFSA-N	1	0	356.401	1.579	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(CO)(CO)CC1)C(C)C	ZINC000875087852	990868765	/nfs/dbraw/zinc/86/87/65/990868765.db2.gz	SBPIXMWWVQHSOJ-QGZVFWFLSA-N	1	0	353.507	1.461	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000875123272	990927735	/nfs/dbraw/zinc/92/77/35/990927735.db2.gz	SRBBKJSZNKDDQA-YYIAUSFCSA-N	1	0	351.491	1.014	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ncc(Cl)s2)CC1	ZINC000875182565	991022340	/nfs/dbraw/zinc/02/23/40/991022340.db2.gz	RQYQUYTXJPDTHX-UHFFFAOYSA-N	1	0	356.879	1.569	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccccc1C#N)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000372369294	991049714	/nfs/dbraw/zinc/04/97/14/991049714.db2.gz	XZDLYDABSKDNED-QFBILLFUSA-N	1	0	369.513	1.986	20	30		FDEDRO
CN1CCC[C@]2(CC[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)C1=O	ZINC000372552126	991205375	/nfs/dbraw/zinc/20/53/75/991205375.db2.gz	JEMHQBDUKZDQSK-FXAWDEMLSA-N	1	0	352.438	1.608	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000875267959	991228264	/nfs/dbraw/zinc/22/82/64/991228264.db2.gz	BOQKVPPMRBRQTN-BHIYHBOVSA-N	1	0	371.481	1.168	20	30		FDEDRO
Cn1cc(C(=O)NCC2CC[NH+](CCCC3(C#N)CCOCC3)CC2)cn1	ZINC000410378875	991281120	/nfs/dbraw/zinc/28/11/20/991281120.db2.gz	NSCFGHQNKROXIC-UHFFFAOYSA-N	1	0	373.501	1.962	20	30		FDEDRO
CCN1CCO[C@H](CN2CCN(Cc3cc(C#N)ccc3OC)CC2)C1	ZINC000372764433	991496890	/nfs/dbraw/zinc/49/68/90/991496890.db2.gz	HJMHGMPOAGSRNB-IBGZPJMESA-N	1	0	358.486	1.405	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO	ZINC000875477345	991608422	/nfs/dbraw/zinc/60/84/22/991608422.db2.gz	XWTSEADGYNRPIV-PMACEKPBSA-N	1	0	373.497	1.871	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N	ZINC000875489793	991637499	/nfs/dbraw/zinc/63/74/99/991637499.db2.gz	PIPAPBJTDASEFR-MELADBBJSA-N	1	0	351.451	1.139	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000372936176	991699759	/nfs/dbraw/zinc/69/97/59/991699759.db2.gz	WIVHXVXUSFIIPD-JKSUJKDBSA-N	1	0	359.426	1.003	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1	ZINC000875598842	991786546	/nfs/dbraw/zinc/78/65/46/991786546.db2.gz	LYSAZVUIQVXPSR-MOPGFXCFSA-N	1	0	371.481	1.264	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1	ZINC000875607479	991797782	/nfs/dbraw/zinc/79/77/82/991797782.db2.gz	JTZWMBTYPCHCCY-GOSISDBHSA-N	1	0	359.470	1.251	20	30		FDEDRO
CN(CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000373215562	992019814	/nfs/dbraw/zinc/01/98/14/992019814.db2.gz	JLFHIKJCTXJBOO-LJQANCHMSA-N	1	0	355.486	1.597	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CN4CCC[C@H]4CO3)CC2)cc1	ZINC000373224284	992032758	/nfs/dbraw/zinc/03/27/58/992032758.db2.gz	RMFLZOKQEHFFMC-SFTDATJTSA-N	1	0	354.498	1.975	20	30		FDEDRO
CC(C)(C#N)c1ccc(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)cc1	ZINC000373510953	992259164	/nfs/dbraw/zinc/25/91/64/992259164.db2.gz	XYDXOKFRUVPAHP-UHFFFAOYSA-N	1	0	371.481	1.787	20	30		FDEDRO
N#CC[C@H](CC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1	ZINC000373527741	992268682	/nfs/dbraw/zinc/26/86/82/992268682.db2.gz	IEYBWSLEPSQGTN-WOJBJXKFSA-N	1	0	370.497	1.597	20	30		FDEDRO
CC(C)[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)C(=O)N1CCOCC1	ZINC000411479103	992454724	/nfs/dbraw/zinc/45/47/24/992454724.db2.gz	YWIKWBJMBBWGSH-GOSISDBHSA-N	1	0	358.442	1.360	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CC[NH+](C[C@H]3CCOC3)CC1)C2	ZINC000876279023	992519702	/nfs/dbraw/zinc/51/97/02/992519702.db2.gz	LYADYLHQRPMHAJ-APWZRJJASA-N	1	0	354.454	1.389	20	30		FDEDRO
CO[C@H]1c2ccccc2C[C@H]1[NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000411896570	992684839	/nfs/dbraw/zinc/68/48/39/992684839.db2.gz	RXCGIINIKNWVQV-DYXWJJEUSA-N	1	0	370.497	1.581	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(C)c(F)c2)CC1	ZINC000876581172	992717885	/nfs/dbraw/zinc/71/78/85/992717885.db2.gz	BQNWCYNMTBKEKB-OAHLLOKOSA-N	1	0	353.825	1.888	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1	ZINC000876581295	992717905	/nfs/dbraw/zinc/71/79/05/992717905.db2.gz	FWLBHRIIPASQDK-OAHLLOKOSA-N	1	0	353.825	1.970	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(C(=O)NCCCOC(C)C)CC1	ZINC000876589061	992723237	/nfs/dbraw/zinc/72/32/37/992723237.db2.gz	IGFWBDSZHNHEDK-HNNXBMFYSA-N	1	0	359.898	1.626	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1	ZINC000876590545	992725169	/nfs/dbraw/zinc/72/51/69/992725169.db2.gz	XBOIGCIGJIDVQR-BLLLJJGKSA-N	1	0	365.861	1.991	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@H](CO)Cc1ccc(F)cc1	ZINC000876593308	992727161	/nfs/dbraw/zinc/72/71/61/992727161.db2.gz	ZGHLDBGQGFZLRR-OXQOHEQNSA-N	1	0	367.424	1.852	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1	ZINC000876601650	992732518	/nfs/dbraw/zinc/73/25/18/992732518.db2.gz	WYNNMLLNDSVAFD-AWEZNQCLSA-N	1	0	357.788	1.719	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(OCC(=O)N(C)C)c(OC)c1	ZINC000876603882	992734320	/nfs/dbraw/zinc/73/43/20/992734320.db2.gz	DHLUQJYALPTUFQ-CYBMUJFWSA-N	1	0	369.849	1.248	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1	ZINC000876616519	992744032	/nfs/dbraw/zinc/74/40/32/992744032.db2.gz	YRJZETATXVXRSU-OAHLLOKOSA-N	1	0	371.890	1.380	20	30		FDEDRO
Cc1cccc(OC[C@H](O)CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)c1	ZINC000876619826	992746092	/nfs/dbraw/zinc/74/60/92/992746092.db2.gz	CLBXOBHFMHSTTF-YLJYHZDGSA-N	1	0	365.433	1.610	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](CO)[C@@H]2CCCOC2)c1	ZINC000411978798	992750015	/nfs/dbraw/zinc/75/00/15/992750015.db2.gz	DKELWVVAMUIIKE-IEBWSBKVSA-N	1	0	359.470	1.927	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1	ZINC000412011856	992764848	/nfs/dbraw/zinc/76/48/48/992764848.db2.gz	PUCDDGVQYDNZQI-LJQANCHMSA-N	1	0	359.470	1.869	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000876643041	992765854	/nfs/dbraw/zinc/76/58/54/992765854.db2.gz	RVMGFOZHWPSBQY-RISCZKNCSA-N	1	0	359.879	1.584	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)CC1	ZINC000412049774	992784522	/nfs/dbraw/zinc/78/45/22/992784522.db2.gz	ZPRZIQFNKYVIPP-CQSZACIVSA-N	1	0	355.438	1.828	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCN(CC(F)(F)F)CC1	ZINC000876714626	992820361	/nfs/dbraw/zinc/82/03/61/992820361.db2.gz	AJAUHCYUUPFXML-HNNXBMFYSA-N	1	0	352.360	1.452	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1	ZINC000876718642	992828354	/nfs/dbraw/zinc/82/83/54/992828354.db2.gz	XJTRWYGCDDJWJC-CQSZACIVSA-N	1	0	350.850	1.483	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1	ZINC000876719425	992829408	/nfs/dbraw/zinc/82/94/08/992829408.db2.gz	LBSDCZFSWHAMOC-INIZCTEOSA-N	1	0	364.877	1.160	20	30		FDEDRO
COc1ccc([N+](=O)[O-])c(CC(=O)N(CCC#N)CCC[NH+](C)C)c1F	ZINC000412163017	992848544	/nfs/dbraw/zinc/84/85/44/992848544.db2.gz	BNGOCUDJVMIDMB-UHFFFAOYSA-N	1	0	366.393	1.979	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N2CCC(C#N)(c3ccccn3)CC2)CCOCC1	ZINC000374487711	992860572	/nfs/dbraw/zinc/86/05/72/992860572.db2.gz	IVAMIPHFLWIPPQ-UHFFFAOYSA-N	1	0	371.485	1.759	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CC[NH2+]C2(C)C)s1	ZINC000876872263	992943340	/nfs/dbraw/zinc/94/33/40/992943340.db2.gz	WRRLVFXMXGPOMK-LBPRGKRZSA-N	1	0	357.501	1.012	20	30		FDEDRO
CCOC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876875142	992944571	/nfs/dbraw/zinc/94/45/71/992944571.db2.gz	QFQOVFLUGYRZBR-NVXWUHKLSA-N	1	0	356.426	1.482	20	30		FDEDRO
CC(=O)Nc1c[nH]nc1[C@H]1CCCN(CC(=O)NC2(C#N)CCCCC2)C1	ZINC000374819442	992949197	/nfs/dbraw/zinc/94/91/97/992949197.db2.gz	MVYZOLOUKJKRKM-HNNXBMFYSA-N	1	0	372.473	1.890	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(c2ccc(F)cc2C(N)=O)CC1	ZINC000876984702	992996178	/nfs/dbraw/zinc/99/61/78/992996178.db2.gz	KKCNEUYRFVPZSQ-CYBMUJFWSA-N	1	0	354.813	1.043	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3C3CC3)CC2)CC1	ZINC000964962364	1015754425	/nfs/dbraw/zinc/75/44/25/1015754425.db2.gz	RAMSUXFLRHESON-SLFFLAALSA-N	1	0	371.525	1.875	20	30		FDEDRO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F	ZINC000877148479	993072471	/nfs/dbraw/zinc/07/24/71/993072471.db2.gz	MDLJRUCNIGVRPT-SWLSCSKDSA-N	1	0	360.380	1.859	20	30		FDEDRO
N#Cc1ccccc1N1CCC(NC(=O)c2csc(CC[NH3+])n2)CC1	ZINC000877175176	993087100	/nfs/dbraw/zinc/08/71/00/993087100.db2.gz	HYUSONMSIIBZPS-UHFFFAOYSA-N	1	0	355.467	1.915	20	30		FDEDRO
N#Cc1ccccc1N1CCC(NC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1	ZINC000877175392	993088639	/nfs/dbraw/zinc/08/86/39/993088639.db2.gz	JDYYMIDIAIOPMS-HNNXBMFYSA-N	1	0	364.453	1.757	20	30		FDEDRO
COCC1(C(=O)NC2CCN(c3ccccc3C#N)CC2)CC[NH2+]CC1	ZINC000877177075	993089235	/nfs/dbraw/zinc/08/92/35/993089235.db2.gz	YWHRAUGUNNUBLC-UHFFFAOYSA-N	1	0	356.470	1.659	20	30		FDEDRO
COc1ccc(CCNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)cc1O	ZINC000877349559	993237174	/nfs/dbraw/zinc/23/71/74/993237174.db2.gz	LXRQYPHKACUQRG-IBGZPJMESA-N	1	0	351.406	1.818	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCO[C@@H](C(F)(F)F)CC1	ZINC000877382682	993263713	/nfs/dbraw/zinc/26/37/13/993263713.db2.gz	RYKSKSRYPHSNJB-HUUCEWRRSA-N	1	0	353.344	1.925	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@@H](CC[NH3+])C2)cc1Br	ZINC000923698194	993339939	/nfs/dbraw/zinc/33/99/39/993339939.db2.gz	DQFTYIGQCAUYBC-SNVBAGLBSA-N	1	0	358.261	1.680	20	30		FDEDRO
C=CCc1cc(CNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)cc(OC)c1OC	ZINC000467701556	993352822	/nfs/dbraw/zinc/35/28/22/993352822.db2.gz	WMIYQKSHBLMSKS-ALOPSCKCSA-N	1	0	372.465	1.863	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)c1	ZINC000923701775	993404658	/nfs/dbraw/zinc/40/46/58/993404658.db2.gz	XCGOSYOWZVTBGA-DZGCQCFKSA-N	1	0	351.472	1.208	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)c1	ZINC000923701779	993405268	/nfs/dbraw/zinc/40/52/68/993405268.db2.gz	XCGOSYOWZVTBGA-ZFWWWQNUSA-N	1	0	351.472	1.208	20	30		FDEDRO
C=CCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000651515995	1015785836	/nfs/dbraw/zinc/78/58/36/1015785836.db2.gz	ZOKKCRASLUHQSH-IRXDYDNUSA-N	1	0	361.490	1.864	20	30		FDEDRO
COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000877727088	993484242	/nfs/dbraw/zinc/48/42/42/993484242.db2.gz	QHGAXZODYWQZQO-CRAIPNDOSA-N	1	0	354.410	1.626	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)c2cccc(Br)c2C#N)CC[C@H]1C[NH3+]	ZINC000923705230	993502237	/nfs/dbraw/zinc/50/22/37/993502237.db2.gz	YTFGYXKZFHELAC-QWRGUYRKSA-N	1	0	372.288	1.926	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CCCO1	ZINC000470114871	993953712	/nfs/dbraw/zinc/95/37/12/993953712.db2.gz	YGGGTUFITZUUNT-BEFAXECRSA-N	1	0	367.490	1.865	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CCCO1	ZINC000470114874	993953881	/nfs/dbraw/zinc/95/38/81/993953881.db2.gz	YGGGTUFITZUUNT-KXBFYZLASA-N	1	0	367.490	1.865	20	30		FDEDRO
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1	ZINC000878686886	994119204	/nfs/dbraw/zinc/11/92/04/994119204.db2.gz	HDTCDBXNQUIAJH-IEBWSBKVSA-N	1	0	370.453	1.059	20	30		FDEDRO
C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCC(C(=O)[O-])CC1	ZINC001598633570	994209631	/nfs/dbraw/zinc/20/96/31/994209631.db2.gz	PYOKALAZOOGTPA-UHFFFAOYSA-N	1	0	352.479	1.003	20	30		FDEDRO
C[C@@H]1C[N@@H+](C[C@@](C)(O)CN(C)C(=O)OC(C)(C)C)C[C@H](C)N1CC#N	ZINC000878772146	994214349	/nfs/dbraw/zinc/21/43/49/994214349.db2.gz	GPOUKWMKWXQFSJ-DAYGRLMNSA-N	1	0	354.495	1.522	20	30		FDEDRO
C#CC[N@@H+](CCC(=O)Nc1ccccc1C(=O)NC1CC1)C1CSC1	ZINC000878911845	994344375	/nfs/dbraw/zinc/34/43/75/994344375.db2.gz	UAFKLRBBQHHRBF-UHFFFAOYSA-N	1	0	357.479	1.958	20	30		FDEDRO
CC(C)(O)C[C@H](O)C[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000878935019	994364357	/nfs/dbraw/zinc/36/43/57/994364357.db2.gz	ZDQFLVUDSSAQEK-KRWDZBQOSA-N	1	0	369.469	1.592	20	30		FDEDRO
Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CCCOc2ccc(C#N)cc2)cn1	ZINC000879190315	994615491	/nfs/dbraw/zinc/61/54/91/994615491.db2.gz	MOMQKZBMYFMCNS-SFHVURJKSA-N	1	0	367.453	1.955	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+]C(C)(C)[C@@H]2CCCCO2)CC1	ZINC000879407181	994883465	/nfs/dbraw/zinc/88/34/65/994883465.db2.gz	VTUNMNHSTMIFIP-SJORKVTESA-N	1	0	350.507	1.616	20	30		FDEDRO
N#Cc1ccc(OCCC[NH+]2CCN(CCc3cnccn3)CC2)cc1	ZINC000879420258	994900593	/nfs/dbraw/zinc/90/05/93/994900593.db2.gz	KGSLYJBLHLSGPR-UHFFFAOYSA-N	1	0	351.454	1.977	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CC(=O)NCCC#N	ZINC000879437537	994912706	/nfs/dbraw/zinc/91/27/06/994912706.db2.gz	CCEZIKOREFBJTE-JJXSEGSLSA-N	1	0	362.474	1.594	20	30		FDEDRO
COc1ccc(N2CC[NH+](CCC(=O)N(C)CCC#N)CC2)c(OC)c1	ZINC000879461498	994927958	/nfs/dbraw/zinc/92/79/58/994927958.db2.gz	DRTNNRZZBWPKNY-UHFFFAOYSA-N	1	0	360.458	1.588	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@H+]2Cc3cccnc3N3CCC[C@H]3C2)CCOCC1	ZINC000879692751	995185637	/nfs/dbraw/zinc/18/56/37/995185637.db2.gz	CWGDKEZRYJJKAY-ZWKOTPCHSA-N	1	0	356.470	1.937	20	30		FDEDRO
Cn1nc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccc1=O	ZINC000879896411	995363912	/nfs/dbraw/zinc/36/39/12/995363912.db2.gz	VXCMDLXGFJHYHJ-UHFFFAOYSA-N	1	0	354.414	1.248	20	30		FDEDRO
C#CC[C@@H]1NC(=O)N(CC2([N@H+](C)Cc3ccccc3)CCOCC2)C1=O	ZINC000925235519	995419525	/nfs/dbraw/zinc/41/95/25/995419525.db2.gz	HRRXCGWMXXTOPM-KRWDZBQOSA-N	1	0	355.438	1.611	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@]2(C)C1	ZINC000880028029	995565360	/nfs/dbraw/zinc/56/53/60/995565360.db2.gz	PNZFBDXKEDKPMH-KHYOSLBOSA-N	1	0	364.490	1.936	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@H]([NH2+]C2CCOCC2)C1	ZINC000880211510	995723606	/nfs/dbraw/zinc/72/36/06/995723606.db2.gz	PIFHGKLCKVYFOR-AEFFLSMTSA-N	1	0	362.518	1.951	20	30		FDEDRO
C#CCNC(=O)CC[N@H+]1C[C@@H](C)O[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000880220712	995734275	/nfs/dbraw/zinc/73/42/75/995734275.db2.gz	XHGJBDWEAIAUCS-BEFAXECRSA-N	1	0	365.474	1.226	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)[C@@H](O)c1ccc(C#N)cc1)C2	ZINC000926163100	995950451	/nfs/dbraw/zinc/95/04/51/995950451.db2.gz	WJDSKSFIWOZMTO-JGLNRKDHSA-N	1	0	357.454	1.188	20	30		FDEDRO
CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)c(O)c3)C2)[C@@H]1C(C)C	ZINC000926245560	995993880	/nfs/dbraw/zinc/99/38/80/995993880.db2.gz	XDYUQVHCLQZYGD-PHXBYCTMSA-N	1	0	357.454	1.863	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC1	ZINC000887028212	996838332	/nfs/dbraw/zinc/83/83/32/996838332.db2.gz	MWQOOXQJYJNQEE-UHFFFAOYSA-N	1	0	359.426	1.037	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1	ZINC000887037838	996856901	/nfs/dbraw/zinc/85/69/01/996856901.db2.gz	FKVISQISHPWGRA-FQEVSTJZSA-N	1	0	370.453	1.888	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)NCc2cccc(OCCOC)c2)CCOCC1	ZINC000887124349	996954186	/nfs/dbraw/zinc/95/41/86/996954186.db2.gz	ACUUFQSRTMXPSE-UHFFFAOYSA-N	1	0	360.454	1.490	20	30		FDEDRO
COc1ccc(-n2ccc(CNC(=[NH2+])NCCCN3CCOCC3)n2)cc1	ZINC000264069984	997395277	/nfs/dbraw/zinc/39/52/77/997395277.db2.gz	CUVPFLIUKJLWQQ-UHFFFAOYSA-N	1	0	372.473	1.008	20	30		FDEDRO
[NH2+]=C(NCCCOCCc1ccccc1)N1CCN(c2ncccn2)CC1	ZINC000264075626	997396833	/nfs/dbraw/zinc/39/68/33/997396833.db2.gz	FQEYPDRWPYAYQH-UHFFFAOYSA-N	1	0	368.485	1.563	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NCc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1	ZINC000264075552	997396844	/nfs/dbraw/zinc/39/68/44/997396844.db2.gz	FNYZZENLVJBFQU-KKUMJFAQSA-N	1	0	362.474	1.375	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1	ZINC000264798858	997614241	/nfs/dbraw/zinc/61/42/41/997614241.db2.gz	XRNOCFRWGWYCHJ-QGZVFWFLSA-N	1	0	355.438	1.724	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(C(=O)c2ccc(-c3cnco3)cc2)CC1	ZINC000264823880	997624751	/nfs/dbraw/zinc/62/47/51/997624751.db2.gz	DRGAIEMSOJKOSG-UHFFFAOYSA-N	1	0	366.421	1.239	20	30		FDEDRO
CC[NH+](CC)CCN(CC(C)C)C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000264986641	997668507	/nfs/dbraw/zinc/66/85/07/997668507.db2.gz	AJADTTZXSQAHKY-HNENSFHCSA-N	1	0	364.490	1.729	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCC1(c2ccccc2C)CCOCC1	ZINC000264993090	997670218	/nfs/dbraw/zinc/67/02/18/997670218.db2.gz	RARNFAMEKBHTJD-UHFFFAOYSA-N	1	0	374.529	1.540	20	30		FDEDRO
C#CCSCC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000887776150	997776160	/nfs/dbraw/zinc/77/61/60/997776160.db2.gz	VXGHGDRBCQPGJG-UHFFFAOYSA-N	1	0	361.511	1.690	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N3C[C@H]4C[N@@H+](C)C[C@@]4(C)C3)CC2)o1	ZINC000887927815	997957507	/nfs/dbraw/zinc/95/75/07/997957507.db2.gz	KJSVOVJOYKYPEV-BEFAXECRSA-N	1	0	357.458	1.481	20	30		FDEDRO
C#CCC1(NC(=O)NCc2ccccc2OCC[NH+](C)C)CCOCC1	ZINC000888003752	998014613	/nfs/dbraw/zinc/01/46/13/998014613.db2.gz	ZZYNHHNIBVOKPE-UHFFFAOYSA-N	1	0	359.470	1.999	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)n1	ZINC000889766132	998622218	/nfs/dbraw/zinc/62/22/18/998622218.db2.gz	OJSSITXJSCISMK-KRWDZBQOSA-N	1	0	363.421	1.477	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000889781137	998653928	/nfs/dbraw/zinc/65/39/28/998653928.db2.gz	LWXGTXLPHWEENH-HOTGVXAUSA-N	1	0	359.426	1.003	20	30		FDEDRO
CC1CC[NH+](CCCCNC(=O)C(=O)Nc2cccc(CC#N)n2)CC1	ZINC000889799487	998668655	/nfs/dbraw/zinc/66/86/55/998668655.db2.gz	VLWAWYLADWWMJB-UHFFFAOYSA-N	1	0	357.458	1.714	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N[C@@H]1Cc2cc(Br)cnc2NC1=O	ZINC000889817623	998688052	/nfs/dbraw/zinc/68/80/52/998688052.db2.gz	YJODKUOIOQBRLO-GFCCVEGCSA-N	1	0	367.247	1.331	20	30		FDEDRO
C#CCN(CC)C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000889869483	998714361	/nfs/dbraw/zinc/71/43/61/998714361.db2.gz	NYZZKPWHYXWENJ-GOSISDBHSA-N	1	0	354.454	1.391	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)n1	ZINC000889908528	998724872	/nfs/dbraw/zinc/72/48/72/998724872.db2.gz	MFOSWPLHECNZLI-MRXNPFEDSA-N	1	0	355.442	1.563	20	30		FDEDRO
C#CCN(CC(=O)N[C@H]1CCC[N@@H+](CCOC)C1)C(=O)OC(C)(C)C	ZINC000826662662	998731470	/nfs/dbraw/zinc/73/14/70/998731470.db2.gz	MBRCQZWWIZVWNO-HNNXBMFYSA-N	1	0	353.463	1.084	20	30		FDEDRO
C#CCCCNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000889965598	998750711	/nfs/dbraw/zinc/75/07/11/998750711.db2.gz	OOQRNQUSEAMNLU-SFHVURJKSA-N	1	0	354.454	1.439	20	30		FDEDRO
C[NH+](C)CCCOC1CCN(C(=O)C(=O)Nc2cccc(CC#N)n2)CC1	ZINC000889984217	998758940	/nfs/dbraw/zinc/75/89/40/998758940.db2.gz	MFAHFWFIBGXDNN-UHFFFAOYSA-N	1	0	373.457	1.045	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ocnc1C(F)(F)F)C2	ZINC001110848323	999031454	/nfs/dbraw/zinc/03/14/54/999031454.db2.gz	POWOYFRSDVEHGU-UTUOFQBUSA-N	1	0	357.332	1.678	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1nc3ccccn3c1=O)C2	ZINC001110880270	999104161	/nfs/dbraw/zinc/10/41/61/999104161.db2.gz	JBKHVNCCJSXARM-HZMVEIRTSA-N	1	0	369.469	1.572	20	30		FDEDRO
CCCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(OCC#N)c2)CC1	ZINC000266691387	999214257	/nfs/dbraw/zinc/21/42/57/999214257.db2.gz	VLAPOJGLTHQUOV-UHFFFAOYSA-N	1	0	358.442	1.908	20	30		FDEDRO
[NH2+]=C(NCC#Cc1ccc(C(F)(F)F)cc1)NCCCN1CCOCC1	ZINC000267455469	999340624	/nfs/dbraw/zinc/34/06/24/999340624.db2.gz	SSXRQQDHJYVJKN-UHFFFAOYSA-N	1	0	368.403	1.684	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000267495246	999349421	/nfs/dbraw/zinc/34/94/21/999349421.db2.gz	XLXUBFPKJGASAV-OALUTQOASA-N	1	0	370.497	1.976	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCc3ccc(C(N)=O)cc3)=[NH+]C[C@H]2C1	ZINC000268064811	999421745	/nfs/dbraw/zinc/42/17/45/999421745.db2.gz	GTHOCJQITDEUEA-HNNXBMFYSA-N	1	0	373.457	1.166	20	30		FDEDRO
COc1ncccc1CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000268100990	999429427	/nfs/dbraw/zinc/42/94/27/999429427.db2.gz	WWSGJCGEIHGCAA-AWEZNQCLSA-N	1	0	361.446	1.471	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2O[C@@H]2CCOC2)CC1	ZINC000268407503	999437354	/nfs/dbraw/zinc/43/73/54/999437354.db2.gz	BZIHLPJEYSDCGX-MRXNPFEDSA-N	1	0	373.453	1.559	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)cc1	ZINC000268651740	999446684	/nfs/dbraw/zinc/44/66/84/999446684.db2.gz	WAZBDQICPHGISX-IBGZPJMESA-N	1	0	350.422	1.513	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1c2c(nn1C)CCC2)C(C)C	ZINC000270674786	999597108	/nfs/dbraw/zinc/59/71/08/999597108.db2.gz	RANCXFCZIRXTDL-QGZVFWFLSA-N	1	0	373.501	1.662	20	30		FDEDRO
N#CCN1CCN(C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)CC1	ZINC000271064204	999655394	/nfs/dbraw/zinc/65/53/94/999655394.db2.gz	WSFOQIUERWKYJY-UHFFFAOYSA-N	1	0	356.470	1.172	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(C#N)cc1	ZINC000284005402	999768054	/nfs/dbraw/zinc/76/80/54/999768054.db2.gz	NGWCHDKHDPTGJT-RDJZCZTQSA-N	1	0	354.454	1.680	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1	ZINC000284281119	999796417	/nfs/dbraw/zinc/79/64/17/999796417.db2.gz	XIOLWZJZHAQXDH-QZTJIDSGSA-N	1	0	359.470	1.462	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccccc2COCCC)CC1	ZINC000284286626	999797928	/nfs/dbraw/zinc/79/79/28/999797928.db2.gz	MISANONCUQRHBB-UHFFFAOYSA-N	1	0	373.497	1.996	20	30		FDEDRO
C=CCCCNC(=O)C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1	ZINC000284381999	999820948	/nfs/dbraw/zinc/82/09/48/999820948.db2.gz	HDRKGEHFKAYSPC-IRXDYDNUSA-N	1	0	373.497	1.994	20	30		FDEDRO
C=CCCCNC(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000284420112	999829208	/nfs/dbraw/zinc/82/92/08/999829208.db2.gz	YFBVUUIICDFOJU-UHFFFAOYSA-N	1	0	372.513	1.393	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)N(C)c2ccccc2)CC1	ZINC000284471882	999839299	/nfs/dbraw/zinc/83/92/99/999839299.db2.gz	GTZDHMRXJXOURH-INIZCTEOSA-N	1	0	358.486	1.394	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)NC1CC[NH+](CCOC)CC1	ZINC000285594234	999915984	/nfs/dbraw/zinc/91/59/84/999915984.db2.gz	SOLSHZABSRYEGR-UHFFFAOYSA-N	1	0	359.470	1.428	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(OCC)c(F)c2)CC1	ZINC000286211760	999942873	/nfs/dbraw/zinc/94/28/73/999942873.db2.gz	AAODHGVVVGUCEA-UHFFFAOYSA-N	1	0	363.433	1.607	20	30		FDEDRO
C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NCCCCC#N)C1CC1	ZINC000286355047	999944011	/nfs/dbraw/zinc/94/40/11/999944011.db2.gz	BZXFMWRYQNVHLF-GOSISDBHSA-N	1	0	356.470	1.823	20	30		FDEDRO
C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCCn2cnc(C#N)n2)CC1	ZINC000287802913	999961750	/nfs/dbraw/zinc/96/17/50/999961750.db2.gz	IPXQAUBKCLMYBW-UHFFFAOYSA-N	1	0	367.457	1.456	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)nn1CCC#N	ZINC000288016451	999982767	/nfs/dbraw/zinc/98/27/67/999982767.db2.gz	CEPLNJJYLFDRRL-LSDHHAIUSA-N	1	0	358.446	1.129	20	30		FDEDRO
C#C[C@H](NC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)C(C)(C)C	ZINC000288766366	1000045429	/nfs/dbraw/zinc/04/54/29/1000045429.db2.gz	ZKUJLEKQUQELDY-KRWDZBQOSA-N	1	0	358.486	1.825	20	30		FDEDRO
C[N@H+](C[C@H](O)CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C1CC1	ZINC000289283158	1000087708	/nfs/dbraw/zinc/08/77/08/1000087708.db2.gz	ADPGOESKTLCRHR-HNNXBMFYSA-N	1	0	371.441	1.383	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1	ZINC000289521468	1000104012	/nfs/dbraw/zinc/10/40/12/1000104012.db2.gz	PTFFOUIGWLILPQ-RTBURBONSA-N	1	0	373.497	1.504	20	30		FDEDRO
C=CCn1c(CC2CC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000289802504	1000119915	/nfs/dbraw/zinc/11/99/15/1000119915.db2.gz	VAOUSUBGCUXFBD-MRXNPFEDSA-N	1	0	358.490	1.159	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CC[N@@H+](CCn3cnc4ccccc4c3=O)C2)nc1	ZINC000292151046	1000215182	/nfs/dbraw/zinc/21/51/82/1000215182.db2.gz	KFSPHHPNZBXUIW-INIZCTEOSA-N	1	0	361.405	1.816	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCOC[C@H]([NH2+]CCNc2ccc(C#N)cn2)C1	ZINC000927167971	1000664523	/nfs/dbraw/zinc/66/45/23/1000664523.db2.gz	PCVXQFVLOHIQKB-OAHLLOKOSA-N	1	0	361.446	1.591	20	30		FDEDRO
CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1	ZINC000927633626	1000947935	/nfs/dbraw/zinc/94/79/35/1000947935.db2.gz	PKIRPKQQJGLPFY-RBUKOAKNSA-N	1	0	372.469	1.486	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N(C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc21	ZINC000927796479	1001054949	/nfs/dbraw/zinc/05/49/49/1001054949.db2.gz	MTXYKTQPJVESRQ-FKEKPDDDSA-N	1	0	367.453	1.902	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CCC4(CC[NH2+]4)CC3)cc21	ZINC000927802098	1001061933	/nfs/dbraw/zinc/06/19/33/1001061933.db2.gz	APDVOUATFZXKJQ-UHFFFAOYSA-N	1	0	353.426	1.515	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC[C@@H]1C[NH3+]	ZINC000927894055	1001196885	/nfs/dbraw/zinc/19/68/85/1001196885.db2.gz	JYPOYALXRUONAG-WDEREUQCSA-N	1	0	368.359	1.959	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)N(C)CC(F)(F)F)C2	ZINC001110939721	1001374174	/nfs/dbraw/zinc/37/41/74/1001374174.db2.gz	ZMDIPBNAJIUNHZ-TUVASFSCSA-N	1	0	363.424	1.793	20	30		FDEDRO
C[C@@H]1[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC[N@@H+]1C	ZINC000928438234	1001520875	/nfs/dbraw/zinc/52/08/75/1001520875.db2.gz	YXFJEXIVVGLGEN-AXAPSJFSSA-N	1	0	360.845	1.773	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC[N@@H+]1C	ZINC000928438235	1001521168	/nfs/dbraw/zinc/52/11/68/1001521168.db2.gz	YXFJEXIVVGLGEN-FFSVYQOJSA-N	1	0	360.845	1.773	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1	ZINC000928649746	1001607713	/nfs/dbraw/zinc/60/77/13/1001607713.db2.gz	QRIIQCFHXOIDOW-MRXNPFEDSA-N	1	0	362.474	1.787	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C[C@@H]2CCCN(C(=O)NCC(C)C)C2)CC1	ZINC000928654752	1001611345	/nfs/dbraw/zinc/61/13/45/1001611345.db2.gz	BVXCZUAGLAEFNU-KRWDZBQOSA-N	1	0	362.518	1.668	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1	ZINC000928656998	1001612729	/nfs/dbraw/zinc/61/27/29/1001612729.db2.gz	LPAIGEMZBQUUKI-UHFFFAOYSA-N	1	0	353.382	1.608	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)CC1	ZINC000928659318	1001615268	/nfs/dbraw/zinc/61/52/68/1001615268.db2.gz	LAPDEKPERLWSPA-UHFFFAOYSA-N	1	0	366.421	1.675	20	30		FDEDRO
N#Cc1ccc(N[C@H]2CCCN(C(=O)C3C[NH+](C4CCOCC4)C3)C2)nc1	ZINC000928722630	1001637439	/nfs/dbraw/zinc/63/74/39/1001637439.db2.gz	VGSABFVKGSAOCQ-KRWDZBQOSA-N	1	0	369.469	1.467	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C[NH+](C)C)C2	ZINC001110948871	1001643645	/nfs/dbraw/zinc/64/36/45/1001643645.db2.gz	OWYQFBRZJMGNPS-SVGFKBNWSA-N	1	0	374.485	1.367	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](CC#N)C(F)(F)F)CC1=O	ZINC000928808923	1001673367	/nfs/dbraw/zinc/67/33/67/1001673367.db2.gz	KGCCFESVDBFIFB-UPJWGTAASA-N	1	0	360.380	1.280	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1C#N	ZINC000929161633	1001784639	/nfs/dbraw/zinc/78/46/39/1001784639.db2.gz	UEHAXEKGYKCYMI-MRXNPFEDSA-N	1	0	370.478	1.964	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[NH+]2CCC(C(=O)N3CCOCC3)CC2)cc1	ZINC000929235844	1001835617	/nfs/dbraw/zinc/83/56/17/1001835617.db2.gz	AVQAIADFAIADIX-UHFFFAOYSA-N	1	0	369.465	1.567	20	30		FDEDRO
N#Cc1ccc(N2CC[NH+](C[C@@H](O)CC[C@@H](O)c3ccccc3)CC2)nc1	ZINC000929327908	1001939954	/nfs/dbraw/zinc/93/99/54/1001939954.db2.gz	PCGGSDGCOGWMNT-VQTJNVASSA-N	1	0	366.465	1.950	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)N(C)Cc1cc(C#N)cs1)[NH+]1CCC(C)CC1	ZINC000929785302	1002437155	/nfs/dbraw/zinc/43/71/55/1002437155.db2.gz	QMWOCKWACVDYRN-CQSZACIVSA-N	1	0	362.499	1.815	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCC(C)(C)c1ccc(F)cc1)C1CC[NH+](C)CC1	ZINC000929984400	1002700598	/nfs/dbraw/zinc/70/05/98/1002700598.db2.gz	RXZJAFZWHSSZTL-UHFFFAOYSA-N	1	0	373.472	1.776	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc3c(c2)C[C@@H](C)O3)CC1	ZINC000930007002	1002729419	/nfs/dbraw/zinc/72/94/19/1002729419.db2.gz	KTZWSJLHMZAXEV-CQSZACIVSA-N	1	0	357.454	1.393	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2cccc3oc(C)nc32)CC1	ZINC000930006924	1002729599	/nfs/dbraw/zinc/72/95/99/1002729599.db2.gz	IPMJEBMHAMAHID-UHFFFAOYSA-N	1	0	370.453	1.562	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@]23C[C@H]2COC32CCC2)CC1	ZINC000930008821	1002731528	/nfs/dbraw/zinc/73/15/28/1002731528.db2.gz	PAEFIMXFVBAUMI-HNAYVOBHSA-N	1	0	361.486	1.219	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Nc1cccc(OCCS(C)(=O)=O)c1	ZINC000930087691	1002799497	/nfs/dbraw/zinc/79/94/97/1002799497.db2.gz	VJRUTKJUDCBBMG-UHFFFAOYSA-N	1	0	367.471	1.187	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1ccc(N2CCOCC2)cc1	ZINC000930110695	1002829592	/nfs/dbraw/zinc/82/95/92/1002829592.db2.gz	OHDVCJOWRBVNGS-UHFFFAOYSA-N	1	0	354.458	1.765	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccc(OC)c(N3CCOC3=O)c2)CC1	ZINC000930254960	1002973177	/nfs/dbraw/zinc/97/31/77/1002973177.db2.gz	DWYZIHGQXOFKQN-UHFFFAOYSA-N	1	0	372.425	1.871	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1	ZINC000930368495	1003061642	/nfs/dbraw/zinc/06/16/42/1003061642.db2.gz	TWDCAIZCWRHYTI-HNNXBMFYSA-N	1	0	360.479	1.698	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO	ZINC000930390318	1003082644	/nfs/dbraw/zinc/08/26/44/1003082644.db2.gz	HLAAZDOPDXQPTR-CVEARBPZSA-N	1	0	362.405	1.791	20	30		FDEDRO
C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](O)Cn2cccn2)CC1	ZINC001110989530	1003095502	/nfs/dbraw/zinc/09/55/02/1003095502.db2.gz	OQJAVMCHEDGQAN-XDNAFOTISA-N	1	0	358.486	1.712	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCOC2(CC[NH+](CCCO)CC2)C1	ZINC000949207676	1003099063	/nfs/dbraw/zinc/09/90/63/1003099063.db2.gz	SLMKASCNVBQOJZ-ROUUACIJSA-N	1	0	366.502	1.434	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC2CCN(C(=O)[C@@H]3C[C@H]3CC)CC2)CC1	ZINC000949526805	1003441000	/nfs/dbraw/zinc/44/10/00/1003441000.db2.gz	LPFSGHFCZIONHJ-IEBWSBKVSA-N	1	0	359.514	1.733	20	30		FDEDRO
C#CC1(O)CCN(C(=O)Nc2cccc(N3CC[NH+](CC)CC3)c2)CC1	ZINC000930891726	1003639359	/nfs/dbraw/zinc/63/93/59/1003639359.db2.gz	ABCWRLQFVYFLHQ-UHFFFAOYSA-N	1	0	356.470	1.821	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)C(=O)NC3=O)C2	ZINC001111293160	1003681077	/nfs/dbraw/zinc/68/10/77/1003681077.db2.gz	SZFUJGHURZSZKI-XYPHTWIQSA-N	1	0	369.421	1.108	20	30		FDEDRO
C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCc1cc(C#N)ccc1F	ZINC000931004556	1003763028	/nfs/dbraw/zinc/76/30/28/1003763028.db2.gz	MIQWIPVIRWWNNB-AWEZNQCLSA-N	1	0	360.433	1.550	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@H]2C)nc1	ZINC000949887355	1003778980	/nfs/dbraw/zinc/77/89/80/1003778980.db2.gz	RJSTWELEZCKEGP-ATZDWAIDSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccnn2-c2nc(C)cc(C)n2)CC1	ZINC000931050191	1003816534	/nfs/dbraw/zinc/81/65/34/1003816534.db2.gz	OEVNSCZAYOCUOM-UHFFFAOYSA-N	1	0	353.430	1.498	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(-n3cncn3)c1)C2	ZINC001111003259	1003883782	/nfs/dbraw/zinc/88/37/82/1003883782.db2.gz	QMTAIFYBAKPEBZ-QRQLOZEOSA-N	1	0	367.453	1.805	20	30		FDEDRO
N#C[C@H]1CC[C@@H]([NH+]2CCN(CCNS(=O)(=O)c3ccccc3)CC2)C1	ZINC000931127716	1003908269	/nfs/dbraw/zinc/90/82/69/1003908269.db2.gz	WXZSWYLAAXOQPA-DLBZAZTESA-N	1	0	362.499	1.275	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H](C1CCC1)[C@H]1CCCO1)C1CC[NH+](C)CC1	ZINC000931129915	1003910657	/nfs/dbraw/zinc/91/06/57/1003910657.db2.gz	ZISOWBQRHMKVFF-MSOLQXFVSA-N	1	0	361.486	1.006	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCNC(=O)CC2(C)C)c(OC)c1	ZINC000931207797	1003961791	/nfs/dbraw/zinc/96/17/91/1003961791.db2.gz	SJRBGDYNYWDEMO-INIZCTEOSA-N	1	0	362.470	1.764	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)CN2CCC([N@@H+]3CCCOCC3)CC2)cc1	ZINC000931292404	1004031997	/nfs/dbraw/zinc/03/19/97/1004031997.db2.gz	KZMAEWWHJBAEHH-IBGZPJMESA-N	1	0	359.470	1.485	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)CN1CC[NH+](CCc2ccncc2)CC1	ZINC000931340419	1004070281	/nfs/dbraw/zinc/07/02/81/1004070281.db2.gz	LKUOJYOVQBBXKM-FQEVSTJZSA-N	1	0	366.465	1.553	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-n3cccn3)ccn1)C2	ZINC001111012960	1004225905	/nfs/dbraw/zinc/22/59/05/1004225905.db2.gz	ZEKTVKXYBLRASU-SUMDDJOVSA-N	1	0	367.453	1.805	20	30		FDEDRO
COc1cc(C#N)ccc1C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000931539263	1004249645	/nfs/dbraw/zinc/24/96/45/1004249645.db2.gz	PSXZPMQLBNDMKS-INIZCTEOSA-N	1	0	356.426	1.121	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NC1CCC(C)([NH+]2CCCC2)CC1	ZINC000931787632	1004492795	/nfs/dbraw/zinc/49/27/95/1004492795.db2.gz	JCJXIEIDZTZTBE-UHFFFAOYSA-N	1	0	372.307	1.925	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@H]1CN(CC(=O)NC2(C#N)CCC2)CC1(C)C	ZINC000931992182	1004681725	/nfs/dbraw/zinc/68/17/25/1004681725.db2.gz	PVBSBWFVCPAHNA-ZDUSSCGKSA-N	1	0	350.463	1.784	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C1	ZINC000931992758	1004682841	/nfs/dbraw/zinc/68/28/41/1004682841.db2.gz	SYGQDIPLAQZDEC-CQSZACIVSA-N	1	0	352.479	1.984	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C3OCCO3)C2)c(OC)c1	ZINC000932008210	1004699326	/nfs/dbraw/zinc/69/93/26/1004699326.db2.gz	PZBDSZIEIREJDX-IAGOWNOFSA-N	1	0	363.454	1.858	20	30		FDEDRO
C[C@]1([C@H]2CCC[N@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)COC(=O)N1	ZINC000932016711	1004708155	/nfs/dbraw/zinc/70/81/55/1004708155.db2.gz	GDTCBFYFOGAJEU-ABSDTBQOSA-N	1	0	373.453	1.703	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F	ZINC000932068590	1004750965	/nfs/dbraw/zinc/75/09/65/1004750965.db2.gz	MAFVVCVYVYQMAR-FVQBIDKESA-N	1	0	353.388	1.777	20	30		FDEDRO
C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)C1	ZINC000932182990	1004812832	/nfs/dbraw/zinc/81/28/32/1004812832.db2.gz	OHTLRERSJYMAGH-WMZOPIPTSA-N	1	0	350.426	1.971	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1ccc2c(c1)C[C@@H](C)O2)C1CC[NH+](C)CC1	ZINC000932289422	1004881349	/nfs/dbraw/zinc/88/13/49/1004881349.db2.gz	LJUPVGQDXIPGOL-OAHLLOKOSA-N	1	0	369.465	1.182	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[NH+]2CCN(c3cccc4[nH]c(=O)[nH]c43)CC2)cc1	ZINC000932512776	1004995716	/nfs/dbraw/zinc/99/57/16/1004995716.db2.gz	BEVFPBCIBNTBCS-SFHVURJKSA-N	1	0	363.421	1.996	20	30		FDEDRO
COc1ncc(NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1C#N	ZINC000932515856	1004997459	/nfs/dbraw/zinc/99/74/59/1004997459.db2.gz	OJNUUVDWRJNJOR-CQSZACIVSA-N	1	0	359.430	1.538	20	30		FDEDRO
CSCC1CC[NH+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1	ZINC000932587448	1005026578	/nfs/dbraw/zinc/02/65/78/1005026578.db2.gz	LDIZKABHQDBGMM-KRWDZBQOSA-N	1	0	352.548	1.754	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CCNC(=O)OC(C)(C)C)C1	ZINC000932702374	1005109372	/nfs/dbraw/zinc/10/93/72/1005109372.db2.gz	JICINNCCHMXSAK-ZIAGYGMSSA-N	1	0	368.478	1.623	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H](CN(C)C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000966883321	1016943983	/nfs/dbraw/zinc/94/39/83/1016943983.db2.gz	LUZOKZUMGMZZTC-BFYDXBDKSA-N	1	0	371.485	1.537	20	30		FDEDRO
COC(=O)[C@@H]1CC[N@H+](C[C@H](O)CC2(C#N)CCC2)[C@H]([C@H]2CCCO2)C1	ZINC000933188933	1005512148	/nfs/dbraw/zinc/51/21/48/1005512148.db2.gz	VBUUGVPYQJRBIL-WCXIOVBPSA-N	1	0	350.459	1.864	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(N2CCCOC2=O)CC1	ZINC000933615770	1005589561	/nfs/dbraw/zinc/58/95/61/1005589561.db2.gz	WFYUYQYRCVDAIK-QGZVFWFLSA-N	1	0	359.426	1.605	20	30		FDEDRO
C=CCn1cc2ccc(NC(=O)N3CN(CC[NH+](C)C)C(=O)[C@H]3C)cc2n1	ZINC000933676054	1005605904	/nfs/dbraw/zinc/60/59/04/1005605904.db2.gz	OZWLCNMSBSIVQE-CQSZACIVSA-N	1	0	370.457	1.806	20	30		FDEDRO
CC[N@H+](CCC(=O)NC)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000933864735	1005649932	/nfs/dbraw/zinc/64/99/32/1005649932.db2.gz	FZNDPMDYNUQPBX-UHFFFAOYSA-N	1	0	369.387	1.631	20	30		FDEDRO
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCN(C)CC[N@H+](C)CC2)cc1	ZINC000933995043	1005675132	/nfs/dbraw/zinc/67/51/32/1005675132.db2.gz	BTTGQUGUCWAZOV-LJQANCHMSA-N	1	0	371.529	1.809	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3[nH]c(=O)[nH]c3c1)C2	ZINC001111069134	1005708023	/nfs/dbraw/zinc/70/80/23/1005708023.db2.gz	KOHQWBBGHXQMRI-XYPHTWIQSA-N	1	0	356.426	1.806	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H]3[C@@H]2CCCN3CCO)cc1	ZINC000934253673	1005721696	/nfs/dbraw/zinc/72/16/96/1005721696.db2.gz	GPHIMIQGQVOEFN-YZGWKJHDSA-N	1	0	359.470	1.023	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc(NC(C)=O)c1)C2	ZINC001111168457	1006572479	/nfs/dbraw/zinc/57/24/79/1006572479.db2.gz	UOIWTEYZSSPNIY-ZACQAIPSSA-N	1	0	358.442	1.578	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1	ZINC000954277386	1006587359	/nfs/dbraw/zinc/58/73/59/1006587359.db2.gz	YRQYZVFRPFSXPU-SQNIBIBYSA-N	1	0	363.502	1.510	20	30		FDEDRO
C#CCOc1ccc(C(=O)N(C)C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000954306344	1006602979	/nfs/dbraw/zinc/60/29/79/1006602979.db2.gz	HTEUWHHNGLCSIL-DNVCBOLYSA-N	1	0	369.465	1.322	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000954405653	1006724168	/nfs/dbraw/zinc/72/41/68/1006724168.db2.gz	FEOAKFYVKDGJGO-DNVCBOLYSA-N	1	0	353.466	1.220	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000954409154	1006740130	/nfs/dbraw/zinc/74/01/30/1006740130.db2.gz	LVLJITPFECKOPR-NVXWUHKLSA-N	1	0	371.481	1.874	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC[C@@H]1CCCO1	ZINC001111487175	1006801419	/nfs/dbraw/zinc/80/14/19/1006801419.db2.gz	BZMAZXSWHPXVLL-XDNAFOTISA-N	1	0	352.475	1.496	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)Cn2cc(C[C@H]3CC[NH2+]C3)nn2)c(OC)c1	ZINC000641209575	1007017481	/nfs/dbraw/zinc/01/74/81/1007017481.db2.gz	YUILGPIRBUAXRD-SJLPKXTDSA-N	1	0	372.469	1.607	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)Cn2cc(C(C)(C)[NH2+]C)nn2)c(OC)c1	ZINC000641208749	1007017496	/nfs/dbraw/zinc/01/74/96/1007017496.db2.gz	SUNLWBNINPPEFJ-HNNXBMFYSA-N	1	0	360.458	1.910	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1	ZINC000641841159	1007189425	/nfs/dbraw/zinc/18/94/25/1007189425.db2.gz	NDABEAOSYCOGQY-MOPGFXCFSA-N	1	0	364.534	1.781	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(C(C)C)c1C)C2	ZINC001111261457	1007293187	/nfs/dbraw/zinc/29/31/87/1007293187.db2.gz	SEMVCLPPFSJKLK-IDCNUPLLSA-N	1	0	371.485	1.245	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cccc(C[NH+](C)C)c2)C1	ZINC000955364995	1007387278	/nfs/dbraw/zinc/38/72/78/1007387278.db2.gz	AHNBCZHFERHQRE-MOPGFXCFSA-N	1	0	371.481	1.622	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccccc2C[NH+](C)C)C1	ZINC000955365225	1007387928	/nfs/dbraw/zinc/38/79/28/1007387928.db2.gz	GWSHEWXLWYYSAF-MOPGFXCFSA-N	1	0	371.481	1.622	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1	ZINC000955365959	1007390584	/nfs/dbraw/zinc/39/05/84/1007390584.db2.gz	CFMMXRPYNRFIDL-KURKYZTESA-N	1	0	363.502	1.367	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CCN(C(=O)C[N@@H+](C)C2CCC2)C1	ZINC000957011043	1007517102	/nfs/dbraw/zinc/51/71/02/1007517102.db2.gz	ACBXZSMHQCNFMR-FUHIMQAGSA-N	1	0	363.502	1.559	20	30		FDEDRO
C[N@@H+]1CCN(CC#CCN2C(=O)c3ccccc3C2=O)C[C@H]1C(C)(C)C	ZINC000639745730	1007542121	/nfs/dbraw/zinc/54/21/21/1007542121.db2.gz	POUGZGYRSQTHKX-SFHVURJKSA-N	1	0	353.466	1.948	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1	ZINC000947507382	1007656332	/nfs/dbraw/zinc/65/63/32/1007656332.db2.gz	MQJKYIYUKKIFLQ-IEZWGBDMSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3ccc(C)nc3)C[C@H]2C)CC1	ZINC000947561632	1007704586	/nfs/dbraw/zinc/70/45/86/1007704586.db2.gz	UQSPLETYZJTPBQ-DNVCBOLYSA-N	1	0	368.481	1.312	20	30		FDEDRO
C=CCc1cc(C[NH+]2CCC(CNS(C)(=O)=O)CC2)c(O)c(OC)c1	ZINC000795678678	1007852055	/nfs/dbraw/zinc/85/20/55/1007852055.db2.gz	PACCZUNCMCMYOA-UHFFFAOYSA-N	1	0	368.499	1.891	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1	ZINC000956210098	1007942429	/nfs/dbraw/zinc/94/24/29/1007942429.db2.gz	IGGSGOLOSHAABZ-FHLIZLRMSA-N	1	0	354.454	1.124	20	30		FDEDRO
CC(C)[C@@H]1C[N@H+](C)CCN1CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O	ZINC000247249455	1008071957	/nfs/dbraw/zinc/07/19/57/1008071957.db2.gz	ZSDFGSXGSHRSKV-PXNSSMCTSA-N	1	0	369.469	1.555	20	30		FDEDRO
C=CCn1cc(C(=O)N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)nn1	ZINC000648769095	1008601055	/nfs/dbraw/zinc/60/10/55/1008601055.db2.gz	GZWJIEOJPKQINK-UHFFFAOYSA-N	1	0	368.485	1.354	20	30		FDEDRO
C=CCn1cc(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)nn1	ZINC000648804650	1008636977	/nfs/dbraw/zinc/63/69/77/1008636977.db2.gz	QZDFVCLKFQSJMR-UHFFFAOYSA-N	1	0	355.442	1.351	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)C12CCC[NH+]1CCC2	ZINC000950216605	1008866751	/nfs/dbraw/zinc/86/67/51/1008866751.db2.gz	NAJLYMMPEJTCLX-ULQDDVLXSA-N	1	0	361.486	1.313	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3nc(C)cc3C)C[C@H]21	ZINC000959947765	1009183603	/nfs/dbraw/zinc/18/36/03/1009183603.db2.gz	QQZQQZCBJQNFJQ-GFEQUFNTSA-N	1	0	358.486	1.528	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccc(C#N)cc2)O1	ZINC000960045383	1009382203	/nfs/dbraw/zinc/38/22/03/1009382203.db2.gz	HWIDCDLBBJXPIC-LSTHTHJFSA-N	1	0	370.497	1.748	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@H]2C)cn1	ZINC000950674461	1009503094	/nfs/dbraw/zinc/50/30/94/1009503094.db2.gz	ZVTPPTSXQOPBAT-ATZDWAIDSA-N	1	0	368.481	1.514	20	30		FDEDRO
CC(C)(CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1)N1CCOCC1	ZINC000303778970	1009577569	/nfs/dbraw/zinc/57/75/69/1009577569.db2.gz	KFEKGLJXZWAQFL-UHFFFAOYSA-N	1	0	363.481	1.373	20	30		FDEDRO
C[C@@H]1CC[C@H](C(=O)NCC[NH+]2CCC(Nc3ccc(C#N)cn3)CC2)O1	ZINC001111322447	1009591529	/nfs/dbraw/zinc/59/15/29/1009591529.db2.gz	KEZTXQXFEGGOTL-RHSMWYFYSA-N	1	0	357.458	1.513	20	30		FDEDRO
CCN(CCC#N)C(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1ccco1	ZINC001114861501	1009691167	/nfs/dbraw/zinc/69/11/67/1009691167.db2.gz	GIQZOFPTINFING-RMWBKXBUSA-N	1	0	370.453	1.192	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCC(C)(C)c1ccc2c(c1)OCO2	ZINC000303981112	1009791605	/nfs/dbraw/zinc/79/16/05/1009791605.db2.gz	OUOZGJWKYYQJBA-UHFFFAOYSA-N	1	0	362.474	1.190	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1	ZINC000950947086	1010088248	/nfs/dbraw/zinc/08/82/48/1010088248.db2.gz	HEGSIAFBEIQVAB-AOIWGVFYSA-N	1	0	363.502	1.561	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nc1	ZINC000950997111	1010270191	/nfs/dbraw/zinc/27/01/91/1010270191.db2.gz	UUFYMBAJSMBVNT-JENIJYKNSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H](NC(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000951079277	1010428652	/nfs/dbraw/zinc/42/86/52/1010428652.db2.gz	UWCCZEDHZYILHY-GBESFXJTSA-N	1	0	357.498	1.485	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)cc1	ZINC000951109061	1010461502	/nfs/dbraw/zinc/46/15/02/1010461502.db2.gz	FDHOCFOTVGETJD-ATZDWAIDSA-N	1	0	371.481	1.922	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1	ZINC000951113087	1010466586	/nfs/dbraw/zinc/46/65/86/1010466586.db2.gz	OZPTWKPHOXHGDV-HHXXYDBFSA-N	1	0	371.481	1.780	20	30		FDEDRO
[NH2+]=C(NCCN1C(=O)CNC1=O)Nc1cccc(Oc2ccccc2)c1	ZINC000304764635	1010489602	/nfs/dbraw/zinc/48/96/02/1010489602.db2.gz	YGWZRBMSRLLFBH-UHFFFAOYSA-N	1	0	353.382	1.757	20	30		FDEDRO
Cc1nc(N2CCC[C@](CO)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)ccc1C#N	ZINC001111373394	1010836126	/nfs/dbraw/zinc/83/61/26/1010836126.db2.gz	HLRMIIFCBWHAME-MDYRTPRTSA-N	1	0	371.485	1.049	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nc1	ZINC000951491982	1010880265	/nfs/dbraw/zinc/88/02/65/1010880265.db2.gz	MUQADXCGHPNDGC-ZIFCJYIRSA-N	1	0	368.481	1.514	20	30		FDEDRO
CC(N=Nc1nc2[nH][nH]cc-2c(=O)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000779775840	1011001363	/nfs/dbraw/zinc/00/13/63/1011001363.db2.gz	IKRXYWCRALSQCS-CQSZACIVSA-N	1	0	351.414	1.742	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000952064777	1011198595	/nfs/dbraw/zinc/19/85/95/1011198595.db2.gz	LGZPGTQNQHTTBM-JQHSSLGASA-N	1	0	368.437	1.646	20	30		FDEDRO
C[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CCCN1C(=O)[C@H]1CC[C@@H](C(N)=O)C1	ZINC000960872488	1011583676	/nfs/dbraw/zinc/58/36/76/1011583676.db2.gz	CVKIBORPRVRYDU-QYZOEREBSA-N	1	0	368.481	1.883	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)[C@H]3CCCC[N@H+]3C(C)C)[C@@H](O)C2)C1	ZINC000963044225	1011781586	/nfs/dbraw/zinc/78/15/86/1011781586.db2.gz	ZGTCFCLHKUJLLC-ZACQAIPSSA-N	1	0	363.502	1.294	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1	ZINC000963067427	1011802429	/nfs/dbraw/zinc/80/24/29/1011802429.db2.gz	FGVCSRBZRWWGIP-OAGGEKHMSA-N	1	0	351.491	1.149	20	30		FDEDRO
N#Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCNC2=O)C3)cc1F	ZINC001095866833	1011988005	/nfs/dbraw/zinc/98/80/05/1011988005.db2.gz	QJHIQRCNNKUWPB-JHNDHUHGSA-N	1	0	356.401	1.055	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)s1	ZINC000961225378	1012073917	/nfs/dbraw/zinc/07/39/17/1012073917.db2.gz	BEABGSIWVWUUTI-NAJMEWCQSA-N	1	0	357.479	1.981	20	30		FDEDRO
CCN(CCC#N)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]cc1C)C2	ZINC001111405756	1012176018	/nfs/dbraw/zinc/17/60/18/1012176018.db2.gz	BNKPBGMPODBZHL-OIISXLGYSA-N	1	0	357.458	1.420	20	30		FDEDRO
C=CCn1cc(C(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)nn1	ZINC000650542400	1012189222	/nfs/dbraw/zinc/18/92/22/1012189222.db2.gz	FXSBHDLHGMLHJM-OALUTQOASA-N	1	0	367.453	1.580	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCO[C@H]2C2CC2)cc1	ZINC000961299066	1012197394	/nfs/dbraw/zinc/19/73/94/1012197394.db2.gz	DCZOTOPYILPUPV-SLHNCBLASA-N	1	0	351.450	1.920	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2)C1	ZINC000961390225	1012322187	/nfs/dbraw/zinc/32/21/87/1012322187.db2.gz	AININPDOSRMDFE-FUMNGEBKSA-N	1	0	360.498	1.622	20	30		FDEDRO
Cc1cc(C#N)nc(N2CCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1	ZINC001066797499	1012388826	/nfs/dbraw/zinc/38/88/26/1012388826.db2.gz	GLNBDYQANUAZBV-BFYDXBDKSA-N	1	0	356.474	1.472	20	30		FDEDRO
CC[C@@H](C)C(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1	ZINC001111416386	1012444858	/nfs/dbraw/zinc/44/48/58/1012444858.db2.gz	OFLNYYDHHBVYFA-AXUOBQJMSA-N	1	0	368.481	1.942	20	30		FDEDRO
CC[C@H](C)C(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#Cc1ccccc1	ZINC001111417036	1012447317	/nfs/dbraw/zinc/44/73/17/1012447317.db2.gz	WKLPLGFNGWDSAQ-NBYUQASBSA-N	1	0	367.493	1.922	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1cnnn1C)C2	ZINC000963815149	1012729947	/nfs/dbraw/zinc/72/99/47/1012729947.db2.gz	DQZTXDGLLIYYPD-JUTOSJBISA-N	1	0	359.474	1.313	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1	ZINC000953976183	1013002173	/nfs/dbraw/zinc/00/21/73/1013002173.db2.gz	LYAQKGGYMWBHPY-SQNIBIBYSA-N	1	0	365.518	1.757	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC[N@@H+]1C	ZINC000953979434	1013021847	/nfs/dbraw/zinc/02/18/47/1013021847.db2.gz	GXVRKLSOXDKSHP-FUHWJXTLSA-N	1	0	371.485	1.680	20	30		FDEDRO
C=CCC[C@@H](NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1)c1ccccc1	ZINC000652689178	1017573835	/nfs/dbraw/zinc/57/38/35/1017573835.db2.gz	QHYFLMJAKONJEM-KZNAEPCWSA-N	1	0	359.470	1.632	20	30		FDEDRO
C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C1(CO)CCOCC1	ZINC000190999410	178035626	/nfs/dbraw/zinc/03/56/26/178035626.db2.gz	XOIRBLAQYKWDEH-UHFFFAOYSA-N	1	0	363.483	1.910	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000192220505	178103615	/nfs/dbraw/zinc/10/36/15/178103615.db2.gz	WCIGQZMRCJZVBP-SFHVURJKSA-N	1	0	352.438	1.918	20	30		FDEDRO
CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000192344062	178110567	/nfs/dbraw/zinc/11/05/67/178110567.db2.gz	YYXWFDJXQWONCN-QAPCUYQASA-N	1	0	371.485	1.689	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000192344477	178110878	/nfs/dbraw/zinc/11/08/78/178110878.db2.gz	BBSKQARYPGNTQH-IAGOWNOFSA-N	1	0	355.442	1.053	20	30		FDEDRO
COC(=O)C1CCC([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000192448801	178114070	/nfs/dbraw/zinc/11/40/70/178114070.db2.gz	NJXWJPRXKPCSFR-DAWZGUTISA-N	1	0	355.438	1.981	20	30		FDEDRO
C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000192565935	178120234	/nfs/dbraw/zinc/12/02/34/178120234.db2.gz	HRETXOJZGFZLJT-CQSZACIVSA-N	1	0	359.474	1.901	20	30		FDEDRO
CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000193059050	178145374	/nfs/dbraw/zinc/14/53/74/178145374.db2.gz	CMAZRBZKPKZBBD-CQSZACIVSA-N	1	0	359.474	1.853	20	30		FDEDRO
CC[NH+]1CCN(CCNS(=O)(=O)c2cc(C#N)ccc2Cl)CC1	ZINC000193989151	178192096	/nfs/dbraw/zinc/19/20/96/178192096.db2.gz	PLSJFKQJEASDCR-UHFFFAOYSA-N	1	0	356.879	1.127	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@@H](N4CCOCC4)C3)C2=O)cc1	ZINC000245531061	178363458	/nfs/dbraw/zinc/36/34/58/178363458.db2.gz	SYDBIPGUECCQSD-RTBURBONSA-N	1	0	354.454	1.460	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN([C@H](C)C(=O)Nc3ccccc3C#N)C2)CC1	ZINC000245903122	178387851	/nfs/dbraw/zinc/38/78/51/178387851.db2.gz	GWWKBAYOKOUQGD-AEFFLSMTSA-N	1	0	355.486	1.597	20	30		FDEDRO
COc1cc(C#N)ccc1OCCCC(=O)NCCNc1cc[nH+]cc1	ZINC000512089857	538968735	/nfs/dbraw/zinc/96/87/35/538968735.db2.gz	NFZXDOZOEYYYTJ-UHFFFAOYSA-N	1	0	354.410	1.771	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NCCC[NH+]2CCCC2)C[C@@]12C(=O)Nc1ccccc12	ZINC000513848949	539007394	/nfs/dbraw/zinc/00/73/94/539007394.db2.gz	QGYFNQOITOJKIP-FOIQADDNSA-N	1	0	367.453	1.527	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C	ZINC000515989975	539024715	/nfs/dbraw/zinc/02/47/15/539024715.db2.gz	VWCALOHJTGQIOM-ZBFHGGJFSA-N	1	0	367.471	1.213	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)[C@@H](C)C1	ZINC000249145597	178551935	/nfs/dbraw/zinc/55/19/35/178551935.db2.gz	GIDLOTVQOGMANT-DZGCQCFKSA-N	1	0	374.489	1.637	20	30		FDEDRO
CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)CCC(=O)N(C)CCC#N)CC1	ZINC000517199352	539350891	/nfs/dbraw/zinc/35/08/91/539350891.db2.gz	RGHVCAHAOGOMRU-OAHLLOKOSA-N	1	0	372.535	1.131	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000264317765	179076769	/nfs/dbraw/zinc/07/67/69/179076769.db2.gz	IYIWZMSUGYALGC-UHFFFAOYSA-N	1	0	370.453	1.566	20	30		FDEDRO
N#Cc1nccnc1NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000264498731	179123118	/nfs/dbraw/zinc/12/31/18/179123118.db2.gz	VCUWCMATYJPWOZ-MRXNPFEDSA-N	1	0	350.426	1.658	20	30		FDEDRO
Cn1c(NCc2ccccc2C[NH+]2CCCCC2)c(C#N)c(=O)n(C)c1=O	ZINC000054369114	210069404	/nfs/dbraw/zinc/06/94/04/210069404.db2.gz	GBCKJARPTQFCAG-UHFFFAOYSA-N	1	0	367.453	1.554	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000268140450	180007145	/nfs/dbraw/zinc/00/71/45/180007145.db2.gz	KERJSEDIUQNHCR-WMLDXEAASA-N	1	0	354.458	1.268	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCO[C@H]1CCOC1	ZINC000268203183	180023905	/nfs/dbraw/zinc/02/39/05/180023905.db2.gz	YMRQZIMKVWBISK-IBGZPJMESA-N	1	0	374.485	1.827	20	30		FDEDRO
CC1(N2CCOCC2)CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000528728823	539779741	/nfs/dbraw/zinc/77/97/41/539779741.db2.gz	LDLOBGWQKCKVIR-GOSISDBHSA-N	1	0	359.470	1.485	20	30		FDEDRO
CC1([NH+]2CCOCC2)CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1	ZINC000528728843	539780011	/nfs/dbraw/zinc/78/00/11/539780011.db2.gz	PRKQQAXEGULLJC-INIZCTEOSA-N	1	0	374.510	1.912	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CCCC(=O)Nc1ccccc1C#N	ZINC000269272711	180259840	/nfs/dbraw/zinc/25/98/40/180259840.db2.gz	HGFAALKPEZMSDE-INIZCTEOSA-N	1	0	371.485	1.419	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)CCCC(=O)Nc1ccccc1C#N	ZINC000269292240	180265650	/nfs/dbraw/zinc/26/56/50/180265650.db2.gz	QBONJWRADWBIPE-UHFFFAOYSA-N	1	0	360.458	1.752	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1C#N	ZINC000269372893	180287248	/nfs/dbraw/zinc/28/72/48/180287248.db2.gz	JGCWLDRKFUZFTG-DYVFJYSZSA-N	1	0	370.453	1.883	20	30		FDEDRO
CS[C@@H]1CN(C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C[C@@H]1[NH+](C)C	ZINC000270530476	180494232	/nfs/dbraw/zinc/49/42/32/180494232.db2.gz	VICITZITWNIHBW-JKSUJKDBSA-N	1	0	362.499	1.712	20	30		FDEDRO
COC[C@]1([NH2+]C[C@@H]2CNc3c(C#N)cnn3C2)COc2ccccc2C1	ZINC000529667757	539840534	/nfs/dbraw/zinc/84/05/34/539840534.db2.gz	DKGQPWOVGIVHTK-LIRRHRJNSA-N	1	0	353.426	1.406	20	30		FDEDRO
Cn1nccc1[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)CCO1	ZINC000530233089	539916403	/nfs/dbraw/zinc/91/64/03/539916403.db2.gz	HFRZXFRRDXNSKC-FCEWJHQRSA-N	1	0	356.426	1.541	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCN(C2CCCCC2)C1=O	ZINC000530230942	539915447	/nfs/dbraw/zinc/91/54/47/539915447.db2.gz	DYAWKMSSYMJFSL-ROUUACIJSA-N	1	0	357.454	1.821	20	30		FDEDRO
CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2ccccc2C#N)C1	ZINC000530230905	539915936	/nfs/dbraw/zinc/91/59/36/539915936.db2.gz	DISFGWSTNVXKQL-POESELISSA-N	1	0	350.484	1.967	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)CC2)c1C#N	ZINC000530408519	539963843	/nfs/dbraw/zinc/96/38/43/539963843.db2.gz	ZXCYEDGMOWDBFY-UKRRQHHQSA-N	1	0	371.489	1.057	20	30		FDEDRO
CC[N@H+](CCO)CCNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000274466399	181100910	/nfs/dbraw/zinc/10/09/10/181100910.db2.gz	YLQSKQLTFYEYRX-UHFFFAOYSA-N	1	0	365.377	1.170	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCOc2ccc(Cl)cn2)CC1	ZINC000268469283	674089802	/nfs/dbraw/zinc/08/98/02/674089802.db2.gz	XLMYCENILKHVAN-UHFFFAOYSA-N	1	0	369.853	1.639	20	30		FDEDRO
C=CCN1CC[C@H](N(C)CC(=O)Nc2ccc3c(c2)OCCCO3)C1=O	ZINC000532217120	540145549	/nfs/dbraw/zinc/14/55/49/540145549.db2.gz	LNTJCYDGRVJLQY-HNNXBMFYSA-N	1	0	359.426	1.505	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)n(CCC#N)n1	ZINC000533317782	540231204	/nfs/dbraw/zinc/23/12/04/540231204.db2.gz	COELTIAOEFBRJX-CQSZACIVSA-N	1	0	358.446	1.177	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)n(CCC#N)n1	ZINC000533318878	540231529	/nfs/dbraw/zinc/23/15/29/540231529.db2.gz	OEFQBAOHUHKOLV-UHFFFAOYSA-N	1	0	358.446	1.131	20	30		FDEDRO
C[C@@H]1CN(c2c(C#N)nnc3ccccc32)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000535006521	540437568	/nfs/dbraw/zinc/43/75/68/540437568.db2.gz	TVEAMMIDTURVJL-BEFAXECRSA-N	1	0	350.470	1.964	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1Cc1cnc(N2CCCC2)nc1	ZINC000535820143	540516051	/nfs/dbraw/zinc/51/60/51/540516051.db2.gz	CVWIWWPMKASFIO-HNNXBMFYSA-N	1	0	364.457	1.449	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c1C#N	ZINC000536305474	540577610	/nfs/dbraw/zinc/57/76/10/540577610.db2.gz	PELFERXBAIZAIO-UHFFFAOYSA-N	1	0	374.405	1.184	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH+]1CCC(OCCN2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000536933196	540661638	/nfs/dbraw/zinc/66/16/38/540661638.db2.gz	NILMWOVFPCSWHZ-ULQDDVLXSA-N	1	0	353.507	1.267	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1	ZINC000537168467	540694921	/nfs/dbraw/zinc/69/49/21/540694921.db2.gz	UUQHNBLDEHBWFT-QGZVFWFLSA-N	1	0	358.486	1.887	20	30		FDEDRO
N#CC1(c2ccc(C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)CC1	ZINC000537474554	540733398	/nfs/dbraw/zinc/73/33/98/540733398.db2.gz	OXCJKOVOQXBAJT-MRXNPFEDSA-N	1	0	354.454	1.559	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCC[NH2+]2)cc1	ZINC000269043405	674105734	/nfs/dbraw/zinc/10/57/34/674105734.db2.gz	LJGANPDNWKSCSS-MPUISCFQSA-N	1	0	364.471	1.580	20	30		FDEDRO
Cc1ccc([C@H](CN2CCOCC2)[NH2+]CCC(=O)N(C)CCC#N)cc1	ZINC000538143376	540816134	/nfs/dbraw/zinc/81/61/34/540816134.db2.gz	JHLCDKKIBVGAOX-IBGZPJMESA-N	1	0	358.486	1.720	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](CN1CCOCC1)c1ccc(C)cc1	ZINC000538141491	540816271	/nfs/dbraw/zinc/81/62/71/540816271.db2.gz	PAJTZPYLVLJIHA-QUCCMNQESA-N	1	0	372.513	1.966	20	30		FDEDRO
Cc1ccc([C@@H](CN2CCOCC2)[NH2+]CCC(=O)N(C)CCC#N)cc1	ZINC000538143382	540816366	/nfs/dbraw/zinc/81/63/66/540816366.db2.gz	JHLCDKKIBVGAOX-LJQANCHMSA-N	1	0	358.486	1.720	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@]2(C)CCCO)CC1	ZINC000538514447	540865225	/nfs/dbraw/zinc/86/52/25/540865225.db2.gz	DMBHGNDRQJVTLX-PKOBYXMFSA-N	1	0	350.507	1.306	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2ccccc2C#N)C[C@H]1[NH+]1CCCC1	ZINC000275482091	181328753	/nfs/dbraw/zinc/32/87/53/181328753.db2.gz	NXWHFAWEYFSCBX-CABCVRRESA-N	1	0	351.497	1.759	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2	ZINC000540456556	541062176	/nfs/dbraw/zinc/06/21/76/541062176.db2.gz	MWSLDVFDHVXUDA-RISCZKNCSA-N	1	0	360.414	1.459	20	30		FDEDRO
C[C@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C1=CC[N@H+](C)CC1	ZINC000541896832	541293037	/nfs/dbraw/zinc/29/30/37/541293037.db2.gz	JIZRFIPACGTBED-ZDUSSCGKSA-N	1	0	350.426	1.706	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1	ZINC000269265080	674108456	/nfs/dbraw/zinc/10/84/56/674108456.db2.gz	UJADPTALJXBHDN-BXYCKKKPSA-N	1	0	364.471	1.565	20	30		FDEDRO
CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2cc(C#N)ccc2OC)CC1	ZINC000275622069	181370951	/nfs/dbraw/zinc/37/09/51/181370951.db2.gz	ATLBZVOGPMZJSW-UHFFFAOYSA-N	1	0	358.442	1.838	20	30		FDEDRO
N#C[C@@H]1CN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CCO1	ZINC000269488306	674109514	/nfs/dbraw/zinc/10/95/14/674109514.db2.gz	YCEXJVXWRIAGOV-QGZVFWFLSA-N	1	0	360.483	1.398	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1	ZINC000275641734	181375635	/nfs/dbraw/zinc/37/56/35/181375635.db2.gz	ARXGUIIIJLYDOZ-MRXNPFEDSA-N	1	0	370.453	1.982	20	30		FDEDRO
CC[C@H]1C[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC(=O)N1	ZINC000543550931	541609599	/nfs/dbraw/zinc/60/95/99/541609599.db2.gz	FSUXPXJEJMHYQL-ROUUACIJSA-N	1	0	356.470	1.753	20	30		FDEDRO
C[C@@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1C#N)C[NH+]1CCCCC1	ZINC000543753693	541653364	/nfs/dbraw/zinc/65/33/64/541653364.db2.gz	TXONEBOUOWZWSU-AWEZNQCLSA-N	1	0	361.494	1.560	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)CC1(C#N)CCCC1	ZINC000544725031	541817509	/nfs/dbraw/zinc/81/75/09/541817509.db2.gz	CPPCMMSTSXKUBN-BZUAXINKSA-N	1	0	355.504	1.584	20	30		FDEDRO
CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1	ZINC000283638252	182237633	/nfs/dbraw/zinc/23/76/33/182237633.db2.gz	CAICDBZUOLCKRH-KRWDZBQOSA-N	1	0	366.469	1.995	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)c1ccc(C#N)cc1	ZINC000284048111	182348252	/nfs/dbraw/zinc/34/82/52/182348252.db2.gz	PYKOSAYOKJHTHW-HNNXBMFYSA-N	1	0	356.470	1.974	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CC[N@H+](Cc2ccccc2)[C@H](CC)C1	ZINC000545397451	541959003	/nfs/dbraw/zinc/95/90/03/541959003.db2.gz	MGRFEMRBUXAULJ-FUHWJXTLSA-N	1	0	358.486	1.983	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1)c1ccc(C#N)cc1	ZINC000284145563	182378603	/nfs/dbraw/zinc/37/86/03/182378603.db2.gz	WYDNYTDASPJUKF-HNNXBMFYSA-N	1	0	356.470	1.974	20	30		FDEDRO
C[NH+](C)[C@@]1(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)CCSC1	ZINC000546187646	542119597	/nfs/dbraw/zinc/11/95/97/542119597.db2.gz	KTEJODVHJHPZKU-GOSISDBHSA-N	1	0	374.514	1.222	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCn1cnc(C#N)n1	ZINC000286671878	183125470	/nfs/dbraw/zinc/12/54/70/183125470.db2.gz	MDVIZUYYADBRKD-DOTOQJQBSA-N	1	0	367.457	1.360	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C	ZINC000546612653	542182604	/nfs/dbraw/zinc/18/26/04/542182604.db2.gz	AGHXTKXQSJNUNZ-XJKSGUPXSA-N	1	0	367.457	2.298	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1	ZINC000546708860	542205844	/nfs/dbraw/zinc/20/58/44/542205844.db2.gz	KDYPARDIKRTNDH-MRXNPFEDSA-N	1	0	370.453	1.840	20	30		FDEDRO
N#Cc1ncn(CC[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)n1	ZINC000287545544	183319440	/nfs/dbraw/zinc/31/94/40/183319440.db2.gz	PNGBUTXVKCVJPA-UHFFFAOYSA-N	1	0	358.833	1.698	20	30		FDEDRO
CN1CC[NH+](CC2CCN(C(=O)NCC#Cc3ccccc3)CC2)CC1	ZINC000277465899	781970700	/nfs/dbraw/zinc/97/07/00/781970700.db2.gz	PFKYVMOSCSATBC-UHFFFAOYSA-N	1	0	354.498	1.707	20	30		FDEDRO
CN(C)CC[NH+]1CCC(CNC(=O)c2cc(C#N)cc(N(C)C)c2)CC1	ZINC000294700861	184001891	/nfs/dbraw/zinc/00/18/91/184001891.db2.gz	IZWLXZIEJWGWAY-UHFFFAOYSA-N	1	0	357.502	1.628	20	30		FDEDRO
Cn1cc(C[NH2+][C@@H]2CCCN(CCCO)C2)c(-c2ccc(C#N)cc2)n1	ZINC000295078539	184032756	/nfs/dbraw/zinc/03/27/56/184032756.db2.gz	HYORWCYLCAUHGI-LJQANCHMSA-N	1	0	353.470	1.895	20	30		FDEDRO
CC[C@H](CNS(C)(=O)=O)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000295105890	184034010	/nfs/dbraw/zinc/03/40/10/184034010.db2.gz	UFKLTESTLLZNLY-QGZVFWFLSA-N	1	0	364.515	1.440	20	30		FDEDRO
CCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)C(=O)N1CCC(C(N)=O)CC1	ZINC000297945125	184359937	/nfs/dbraw/zinc/35/99/37/184359937.db2.gz	SHBWCSSPXWUXAS-OAHLLOKOSA-N	1	0	356.470	1.883	20	30		FDEDRO
CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(C#N)cc2)C1	ZINC000297952129	184362139	/nfs/dbraw/zinc/36/21/39/184362139.db2.gz	RZJXMNRNFZCNHA-GOSISDBHSA-N	1	0	356.470	1.707	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1	ZINC000547319206	542311242	/nfs/dbraw/zinc/31/12/42/542311242.db2.gz	DOSIGUNYKXHFMS-AWEZNQCLSA-N	1	0	353.430	1.991	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2OCCN(CCC(=O)Nc3ccc(C#N)c(Cl)c3)[C@@H]2C1	ZINC000298562543	184461114	/nfs/dbraw/zinc/46/11/14/184461114.db2.gz	PPGWIGOCWUPHLC-SJORKVTESA-N	1	0	362.861	1.945	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)c1coc(S(=O)(=O)NC)c1)C(C)C	ZINC000270022793	674155271	/nfs/dbraw/zinc/15/52/71/674155271.db2.gz	DYLXZZDMULSZKK-OAHLLOKOSA-N	1	0	369.487	1.616	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1	ZINC000972073944	781982218	/nfs/dbraw/zinc/98/22/18/781982218.db2.gz	UGCAXSHJBJHLPV-GUDVDZBRSA-N	1	0	357.498	1.580	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1	ZINC000172412960	258275738	/nfs/dbraw/zinc/27/57/38/258275738.db2.gz	BFFYUENKJPQVEX-UHFFFAOYSA-N	1	0	354.454	1.765	20	30		FDEDRO
N#Cc1ncc(OCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cn1	ZINC000548283804	542611209	/nfs/dbraw/zinc/61/12/09/542611209.db2.gz	PVZKNUNTQPXWTI-UHFFFAOYSA-N	1	0	369.450	1.915	20	30		FDEDRO
Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[NH+](CC2CC2)CC1	ZINC000548852805	542791644	/nfs/dbraw/zinc/79/16/44/542791644.db2.gz	IQDFYODVMFEXDB-UHFFFAOYSA-N	1	0	352.442	1.798	20	30		FDEDRO
Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](CC2CCOCC2)CC1	ZINC000548911598	542804164	/nfs/dbraw/zinc/80/41/64/542804164.db2.gz	MNTTVLWKLQOLPD-UHFFFAOYSA-N	1	0	366.469	1.902	20	30		FDEDRO
C[C@H]1CN(CCC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C[C@H](C)O1	ZINC000549111127	542838331	/nfs/dbraw/zinc/83/83/31/542838331.db2.gz	NWHNAVZHCXAWIT-HOTGVXAUSA-N	1	0	365.499	1.421	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccc(C#N)cc1	ZINC000549173522	542847304	/nfs/dbraw/zinc/84/73/04/542847304.db2.gz	MNUIMMCNZLYESQ-LBPRGKRZSA-N	1	0	358.423	1.495	20	30		FDEDRO
Cc1ccc(NC(=O)C(=O)N(C)CCC#N)cc1NC(=O)CC[NH+](C)C	ZINC000549716501	542921524	/nfs/dbraw/zinc/92/15/24/542921524.db2.gz	JCKXLWAHMFAQLO-UHFFFAOYSA-N	1	0	359.430	1.196	20	30		FDEDRO
COc1cc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)cc(OC)c1OC	ZINC000549761471	542933068	/nfs/dbraw/zinc/93/30/68/542933068.db2.gz	JLALISUPLHBTBO-UHFFFAOYSA-N	1	0	353.382	1.917	20	30		FDEDRO
C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000550197961	543036132	/nfs/dbraw/zinc/03/61/32/543036132.db2.gz	XVFNAXUWLCQVSD-BZUAXINKSA-N	1	0	368.481	1.930	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CCc2c[nH]nc2C1)C(C)C	ZINC000551220633	543253856	/nfs/dbraw/zinc/25/38/56/543253856.db2.gz	CNDDERPSFVSGBX-FUHWJXTLSA-N	1	0	373.501	1.198	20	30		FDEDRO
N#Cc1cccc(F)c1CC(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1	ZINC000552133011	543423043	/nfs/dbraw/zinc/42/30/43/543423043.db2.gz	TVLXOMCSVQILNA-QZTJIDSGSA-N	1	0	367.424	1.991	20	30		FDEDRO
N#CC1(NC(=O)c2ccoc2CC(N)=O)CC[NH+](Cc2ccccc2)CC1	ZINC000552426535	543464977	/nfs/dbraw/zinc/46/49/77/543464977.db2.gz	OZFCAEVLSIDDOE-UHFFFAOYSA-N	1	0	366.421	1.596	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000552515271	543478956	/nfs/dbraw/zinc/47/89/56/543478956.db2.gz	FMDRKHVZYODYPP-UHFFFAOYSA-N	1	0	350.507	1.086	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2cccc3cccnc32)CC1	ZINC000552876913	543530374	/nfs/dbraw/zinc/53/03/74/543530374.db2.gz	BGFYJPPVCMJZSG-UHFFFAOYSA-N	1	0	352.438	1.618	20	30		FDEDRO
C=CC[C@H]1N(C(=O)C(=O)NC[C@H]2CCC[N@H+]2CCOC)CCCC1(C)C	ZINC000552939305	543539253	/nfs/dbraw/zinc/53/92/53/543539253.db2.gz	GCYAHJKRCAWPAC-IAGOWNOFSA-N	1	0	365.518	1.807	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C(C)=C4CCC4)[C@@H]3C2)CC1	ZINC000972081708	782009783	/nfs/dbraw/zinc/00/97/83/782009783.db2.gz	KWWCIUXOWFRFDA-WOJBJXKFSA-N	1	0	369.509	1.891	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC(C[NH+]2CCOCC2)CC1	ZINC000069030291	172024662	/nfs/dbraw/zinc/02/46/62/172024662.db2.gz	LRUWHHLAJHLEDA-INIZCTEOSA-N	1	0	356.470	1.929	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N2CCN(c3ccccc3C#N)CC2)CCOCC1	ZINC000073236609	172059433	/nfs/dbraw/zinc/05/94/33/172059433.db2.gz	ULOVEXNDIPXBLN-UHFFFAOYSA-N	1	0	371.485	1.501	20	30		FDEDRO
C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CCN1CCOCC1	ZINC000074290209	172078298	/nfs/dbraw/zinc/07/82/98/172078298.db2.gz	HTFZKBKROWUYJC-UHFFFAOYSA-N	1	0	350.850	1.804	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)N(C)Cc2cccc(C#N)c2)CC1	ZINC000074659050	172085772	/nfs/dbraw/zinc/08/57/72/172085772.db2.gz	CSTVUAGKJBJLJD-QGZVFWFLSA-N	1	0	357.502	1.973	20	30		FDEDRO
CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CCCN(c3ccccc3C#N)CC2)CC1	ZINC000076969636	172119581	/nfs/dbraw/zinc/11/95/81/172119581.db2.gz	FYWZYIDKEGMYPW-GOSISDBHSA-N	1	0	369.513	1.623	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H](N2CC[NH+](CC3CCOCC3)CC2)C1=O	ZINC000083199117	172202919	/nfs/dbraw/zinc/20/29/19/172202919.db2.gz	NEXWHWIHVBGVEW-KRWDZBQOSA-N	1	0	374.510	1.769	20	30		FDEDRO
N#Cc1cccc(CNC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1	ZINC000089889537	172249359	/nfs/dbraw/zinc/24/93/59/172249359.db2.gz	JUNRXTAYDJJNGB-UXHICEINSA-N	1	0	364.449	1.993	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCc1cccc(C#N)c1	ZINC000102049599	172346091	/nfs/dbraw/zinc/34/60/91/172346091.db2.gz	SFAVDYUDAQIIIH-QGZVFWFLSA-N	1	0	357.458	1.300	20	30		FDEDRO
Cc1oc(NC(=O)CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c(C#N)c1C	ZINC000104067562	172373648	/nfs/dbraw/zinc/37/36/48/172373648.db2.gz	AXUGJJIRPODPCU-INIZCTEOSA-N	1	0	373.457	1.121	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1ccc(F)c(C#N)c1	ZINC000105036912	172392941	/nfs/dbraw/zinc/39/29/41/172392941.db2.gz	ZOWSWNYZIUOBAL-INIZCTEOSA-N	1	0	361.421	1.762	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1C#N	ZINC000118954893	172731475	/nfs/dbraw/zinc/73/14/75/172731475.db2.gz	IPCJQSNESOLREP-KRWDZBQOSA-N	1	0	368.437	1.757	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(N3CCCCC3=O)CC2)cc1	ZINC000120356409	172794357	/nfs/dbraw/zinc/79/43/57/172794357.db2.gz	VJZXUOBHYYNNBJ-GOSISDBHSA-N	1	0	357.454	1.775	20	30		FDEDRO
CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000125984568	173025282	/nfs/dbraw/zinc/02/52/82/173025282.db2.gz	GVJQDOQGBRZZMN-AWEZNQCLSA-N	1	0	359.879	1.847	20	30		FDEDRO
CC(C)NS(=O)(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1	ZINC000134338103	173323115	/nfs/dbraw/zinc/32/31/15/173323115.db2.gz	UBNWWRNCHDLLBI-INIZCTEOSA-N	1	0	364.471	1.289	20	30		FDEDRO
CSC[C@H]1CCC[N@@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000135465509	173345975	/nfs/dbraw/zinc/34/59/75/173345975.db2.gz	UFOQPMWQCJKTRA-CQSZACIVSA-N	1	0	363.487	1.331	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000141563792	173377041	/nfs/dbraw/zinc/37/70/41/173377041.db2.gz	UKEHQVDEAJVPRI-GOSISDBHSA-N	1	0	369.469	1.125	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(CC[NH+](C)C)C(C)C	ZINC000151894129	173415349	/nfs/dbraw/zinc/41/53/49/173415349.db2.gz	MDMVBSDYVZZCJA-UHFFFAOYSA-N	1	0	356.474	1.949	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N(C)CCN(C)C2CC[NH+](C)CC2)c1C#N	ZINC000181061347	174205243	/nfs/dbraw/zinc/20/52/43/174205243.db2.gz	UFEODWQOJBQHIO-UHFFFAOYSA-N	1	0	364.515	1.513	20	30		FDEDRO
CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1	ZINC000275756902	258462455	/nfs/dbraw/zinc/46/24/55/258462455.db2.gz	ZHUCXLFWMXBSJH-UHFFFAOYSA-N	1	0	354.454	1.780	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cc(C#N)cn3C(C)(C)C)[C@@H]2C1	ZINC000279409301	258554143	/nfs/dbraw/zinc/55/41/43/258554143.db2.gz	NNSYZEDJTDKUEF-LSDHHAIUSA-N	1	0	357.458	1.606	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[C@H](SCC)C2)CC1	ZINC000553329811	543610766	/nfs/dbraw/zinc/61/07/66/543610766.db2.gz	QOQKMJNBXJJOHF-HOTGVXAUSA-N	1	0	353.532	1.934	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)C[C@H]2c2cccnc2)CC1	ZINC000553325634	543609275	/nfs/dbraw/zinc/60/92/75/543609275.db2.gz	UIYXGBIONBXVMS-QAPCUYQASA-N	1	0	356.470	1.758	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCCCN2S(C)(=O)=O)CC1	ZINC000553533428	543653559	/nfs/dbraw/zinc/65/35/59/543653559.db2.gz	LETKPLIQYCXMDE-MRXNPFEDSA-N	1	0	372.535	1.140	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](c2ncc(C)s2)C2CC2)CC1	ZINC000553671971	543678663	/nfs/dbraw/zinc/67/86/63/543678663.db2.gz	CYQKDMUZFXWFSO-OAHLLOKOSA-N	1	0	362.499	1.785	20	30		FDEDRO
C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)C2)C1	ZINC000554142372	543751428	/nfs/dbraw/zinc/75/14/28/543751428.db2.gz	PLHPTCLCMWBTJJ-IBGZPJMESA-N	1	0	350.426	1.494	20	30		FDEDRO
CC(C)CN1CCO[C@@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000555388672	543951071	/nfs/dbraw/zinc/95/10/71/543951071.db2.gz	FPKVRSLXWKHIPZ-KRWDZBQOSA-N	1	0	365.499	1.278	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)cc1	ZINC000555761772	544024576	/nfs/dbraw/zinc/02/45/76/544024576.db2.gz	LCRXJUHSEYFZGB-QZTJIDSGSA-N	1	0	364.467	1.242	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1	ZINC000555688093	544005651	/nfs/dbraw/zinc/00/56/51/544005651.db2.gz	DDOKXJCGWLDGPN-SFHVURJKSA-N	1	0	359.470	1.601	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)c1ccc(F)cc1	ZINC000555872820	544044800	/nfs/dbraw/zinc/04/48/00/544044800.db2.gz	NOCKQUXDJYCAOE-HNNXBMFYSA-N	1	0	355.373	1.450	20	30		FDEDRO
C=CCn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1	ZINC000556445359	544144749	/nfs/dbraw/zinc/14/47/49/544144749.db2.gz	ZEMWSMIQAKGXCI-GVDBMIGSSA-N	1	0	372.517	1.867	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1	ZINC000556482753	544147755	/nfs/dbraw/zinc/14/77/55/544147755.db2.gz	JTPSCXYAGXDPKC-QIIPPGSGSA-N	1	0	354.454	1.994	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[C@H](SC)C2)CC1	ZINC000557768792	544344071	/nfs/dbraw/zinc/34/40/71/544344071.db2.gz	YPPOMFSVHCDJPB-HOTGVXAUSA-N	1	0	353.532	1.934	20	30		FDEDRO
C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc(C#N)c(F)c1	ZINC000558519958	544454894	/nfs/dbraw/zinc/45/48/94/544454894.db2.gz	KAGFCEMZVONKMJ-OAHLLOKOSA-N	1	0	362.405	1.205	20	30		FDEDRO
CC[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@@H]1CCOC1	ZINC000558661531	544495470	/nfs/dbraw/zinc/49/54/70/544495470.db2.gz	JXXLFDURJASANZ-CVEARBPZSA-N	1	0	362.499	1.568	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cn(Cc3ccccc3)nn2)CC1	ZINC000559648951	544755779	/nfs/dbraw/zinc/75/57/79/544755779.db2.gz	FLXSHOBNGUCQGN-UHFFFAOYSA-N	1	0	368.441	1.032	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)nc1	ZINC000559715886	544773295	/nfs/dbraw/zinc/77/32/95/544773295.db2.gz	DPROLGLALPSJES-UHFFFAOYSA-N	1	0	364.409	1.320	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@H](C)CC[NH+](C)C)CC2)c1C#N	ZINC000290690543	258850454	/nfs/dbraw/zinc/85/04/54/258850454.db2.gz	IXKMLSGXLTYHJN-GFCCVEGCSA-N	1	0	350.492	1.495	20	30		FDEDRO
N#Cc1ccc2c(c1)N(C(=O)C(=O)NCCCCC[NH+]1CCCC1)CC2	ZINC000293618529	258887292	/nfs/dbraw/zinc/88/72/92/258887292.db2.gz	FYJXABQKWHBGLP-UHFFFAOYSA-N	1	0	354.454	1.830	20	30		FDEDRO
N#Cc1ccc(OCC(=O)N2CCN(Cc3cccc(O)c3)CC2)cc1	ZINC000299697205	259017315	/nfs/dbraw/zinc/01/73/15/259017315.db2.gz	YIZLZKVVOSWNJX-UHFFFAOYSA-N	1	0	351.406	1.987	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@H](C(=O)N4CCCC4)C3)C2=O)cc1	ZINC000329403514	259094046	/nfs/dbraw/zinc/09/40/46/259094046.db2.gz	ZSZFTIYTVIQQBK-FUHWJXTLSA-N	1	0	352.438	1.608	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000329813801	259112527	/nfs/dbraw/zinc/11/25/27/259112527.db2.gz	CXKNPDNKRKYTPP-SJCJKPOMSA-N	1	0	350.426	1.539	20	30		FDEDRO
C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)[N@@H+]1CCC[C@@H](C)C1	ZINC000331287463	259185505	/nfs/dbraw/zinc/18/55/05/259185505.db2.gz	UPIUADXETJUZQS-CHWSQXEVSA-N	1	0	366.443	1.865	20	30		FDEDRO
C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[C@H]1[NH3+]	ZINC000331904789	259227991	/nfs/dbraw/zinc/22/79/91/259227991.db2.gz	SVHWCRVGOQKWAQ-KBRIMQKVSA-N	1	0	355.442	1.432	20	30		FDEDRO
Cc1cc(S(=O)(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1C#N	ZINC000333697119	259370672	/nfs/dbraw/zinc/37/06/72/259370672.db2.gz	QIAXKLOWYARAKU-FUHWJXTLSA-N	1	0	363.483	1.774	20	30		FDEDRO
Cc1cc(S(=O)(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1C#N	ZINC000365234816	259824004	/nfs/dbraw/zinc/82/40/04/259824004.db2.gz	QLNCLWJMLGGVLH-RYQLBKOJSA-N	1	0	363.483	1.739	20	30		FDEDRO
C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H]1COc2ccccc21	ZINC000368561805	260202517	/nfs/dbraw/zinc/20/25/17/260202517.db2.gz	NFFGQJMLADVVQF-BBRMVZONSA-N	1	0	357.435	1.881	20	30		FDEDRO
COC(=O)c1cn([C@H]2CC[N@H+](CCCOc3ccc(C#N)cc3)C2)nn1	ZINC000368854458	260248887	/nfs/dbraw/zinc/24/88/87/260248887.db2.gz	NXQIKMUEHAJQPA-HNNXBMFYSA-N	1	0	355.398	1.652	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)N2CCCN(c3ccc(C#N)cc3)CC2)CC1	ZINC000368860947	260250357	/nfs/dbraw/zinc/25/03/57/260250357.db2.gz	QBDYGBRZGDIFTC-UHFFFAOYSA-N	1	0	369.513	1.625	20	30		FDEDRO
N#Cc1ccc(CNC(=O)CN2CCC(NC(=O)C3CCC3)CC2)cc1	ZINC000368922469	260261347	/nfs/dbraw/zinc/26/13/47/260261347.db2.gz	IYNBELRKZIEUOU-UHFFFAOYSA-N	1	0	354.454	1.555	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1	ZINC000371323287	260691062	/nfs/dbraw/zinc/69/10/62/260691062.db2.gz	MLPIRYVWESAOGJ-QGZVFWFLSA-N	1	0	354.454	1.996	20	30		FDEDRO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@H](O)C[C@H]3CO)sc2C1	ZINC000373494990	261015320	/nfs/dbraw/zinc/01/53/20/261015320.db2.gz	VADLEBYJDTWVTF-RWMBFGLXSA-N	1	0	363.483	1.501	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C3CCC3)CC2)o1	ZINC000373969796	261059305	/nfs/dbraw/zinc/05/93/05/261059305.db2.gz	ILBDWXWHUUECCY-KRWDZBQOSA-N	1	0	357.458	1.768	20	30		FDEDRO
Cn1c(NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c(C#N)c(=O)n(C)c1=O	ZINC000373986898	261061936	/nfs/dbraw/zinc/06/19/36/261061936.db2.gz	VCDWDOFREZEUFS-FQEVSTJZSA-N	1	0	367.453	1.280	20	30		FDEDRO
N#Cc1cc(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)ccc1OC(F)(F)F	ZINC000374202930	261093576	/nfs/dbraw/zinc/09/35/76/261093576.db2.gz	AMKNFYLYCFHQAE-CYBMUJFWSA-N	1	0	354.332	1.785	20	30		FDEDRO
N#Cc1cccc(-n2ccc(C(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)n2)c1	ZINC000374228187	261097012	/nfs/dbraw/zinc/09/70/12/261097012.db2.gz	FYCLJQMBVOWGAS-GOSISDBHSA-N	1	0	365.437	1.727	20	30		FDEDRO
Cc1oc(NC(=O)CN2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c(C#N)c1C	ZINC000374257516	261100512	/nfs/dbraw/zinc/10/05/12/261100512.db2.gz	FEHKVGMGCQACGV-AWEZNQCLSA-N	1	0	373.501	1.807	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2ccc(C#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000374296806	261106410	/nfs/dbraw/zinc/10/64/10/261106410.db2.gz	OWNRHBKAQWRDTJ-YLJYHZDGSA-N	1	0	354.498	1.975	20	30		FDEDRO
Cn1ccnc1[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1	ZINC000374329483	261111361	/nfs/dbraw/zinc/11/13/61/261111361.db2.gz	LKXAMEWWOFYHNJ-NSHDSACASA-N	1	0	357.801	1.900	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)C[C@@H]21	ZINC000375033636	261253354	/nfs/dbraw/zinc/25/33/54/261253354.db2.gz	XAYATMDLOGQHLQ-QAPCUYQASA-N	1	0	364.453	1.708	20	30		FDEDRO
COc1ccc(CN2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)cc1C#N	ZINC000375393163	261328941	/nfs/dbraw/zinc/32/89/41/261328941.db2.gz	PQQOPYYPBRWVRN-KRWDZBQOSA-N	1	0	363.483	1.308	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1	ZINC000409725152	262136660	/nfs/dbraw/zinc/13/66/60/262136660.db2.gz	RCZSXFQIHXJHHU-MRXNPFEDSA-N	1	0	374.485	1.417	20	30		FDEDRO
C[C@H](C(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)n1cnc(C#N)n1	ZINC000409961396	262147653	/nfs/dbraw/zinc/14/76/53/262147653.db2.gz	UQTIQEXNWNORKM-KMFMINBZSA-N	1	0	353.430	1.257	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCC[NH+]2CCCC2)n1	ZINC000513128777	490709920	/nfs/dbraw/zinc/70/99/20/490709920.db2.gz	HKBXLIAJIBLVDX-UHFFFAOYSA-N	1	0	370.388	1.034	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)nn1CCC#N	ZINC000504580159	490805107	/nfs/dbraw/zinc/80/51/07/490805107.db2.gz	QALLARYNNOZEQA-UHFFFAOYSA-N	1	0	368.441	1.422	20	30		FDEDRO
CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1nn(C)cc1C#N	ZINC000614688554	492048474	/nfs/dbraw/zinc/04/84/74/492048474.db2.gz	DLVMNDQMLPFMNI-IBGZPJMESA-N	1	0	368.441	1.392	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)Nc2nn(C)cc2C#N)CC1	ZINC000610563136	492252272	/nfs/dbraw/zinc/25/22/72/492252272.db2.gz	SXKQMOORCONQNU-GASCZTMLSA-N	1	0	359.478	1.314	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cnn(-c3ccccn3)c2C)c1C#N	ZINC000611166414	492280323	/nfs/dbraw/zinc/28/03/23/492280323.db2.gz	JYFHJDMUDHOMSG-UHFFFAOYSA-N	1	0	364.413	1.575	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2CCN(Cc3ccc(C#N)cc3)CC2)CC1	ZINC000023258204	518940219	/nfs/dbraw/zinc/94/02/19/518940219.db2.gz	WASBYIZKDXWOEV-UHFFFAOYSA-N	1	0	369.513	1.276	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@@H+](CCC(N)=O)Cc2ccccc2)cc1	ZINC000025302964	519052222	/nfs/dbraw/zinc/05/22/22/519052222.db2.gz	CPXSXCYRSLFFBF-SFHVURJKSA-N	1	0	353.422	1.676	20	30		FDEDRO
CCCCNC(=O)NC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000037114994	519628885	/nfs/dbraw/zinc/62/88/85/519628885.db2.gz	QZLLHFJWXAPEMU-UHFFFAOYSA-N	1	0	371.485	1.692	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C(C)C	ZINC000042393672	519690424	/nfs/dbraw/zinc/69/04/24/519690424.db2.gz	SNRSEYOPXNZDEY-DLBZAZTESA-N	1	0	371.547	1.473	20	30		FDEDRO
CC[NH+]1CCN(CCNC(=O)CCc2c(C)nn(CCC#N)c2C)CC1	ZINC000042591751	519697137	/nfs/dbraw/zinc/69/71/37/519697137.db2.gz	FMIACRITISZLSG-UHFFFAOYSA-N	1	0	360.506	1.100	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CCCC1	ZINC000043146584	521831940	/nfs/dbraw/zinc/83/19/40/521831940.db2.gz	DEDIMDWYBYYFGY-UHFFFAOYSA-N	1	0	356.474	1.659	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](c2nccn2C)c2cccc(OC)c2)CC1	ZINC000057154076	522015680	/nfs/dbraw/zinc/01/56/80/522015680.db2.gz	YOZIJTMGIOMINA-LJQANCHMSA-N	1	0	366.465	1.980	20	30		FDEDRO
C[NH+](C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C#N)cc1	ZINC000060348558	522362831	/nfs/dbraw/zinc/36/28/31/522362831.db2.gz	PBJPHWOYIGIKJY-UHFFFAOYSA-N	1	0	367.471	1.452	20	30		FDEDRO
N#CCCNS(=O)(=O)c1ccc(C(=O)NCCC[NH+]2CCCC2)cc1	ZINC000072785818	522381126	/nfs/dbraw/zinc/38/11/26/522381126.db2.gz	KRFSEFUOCVSGHZ-UHFFFAOYSA-N	1	0	364.471	1.094	20	30		FDEDRO
CC[C@H](CO)[NH+]1CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1	ZINC000072798546	522385211	/nfs/dbraw/zinc/38/52/11/522385211.db2.gz	KEKDXLXPGOYSSP-ZWKOTPCHSA-N	1	0	358.486	1.710	20	30		FDEDRO
C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1nncn1C	ZINC000046962965	522402811	/nfs/dbraw/zinc/40/28/11/522402811.db2.gz	RUHDZJSECXPXGS-CQSZACIVSA-N	1	0	355.446	1.521	20	30		FDEDRO
CC(C)c1nc(CO[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)no1	ZINC000072921433	522426864	/nfs/dbraw/zinc/42/68/64/522426864.db2.gz	OKAUKIVSGFDACN-UHFFFAOYSA-N	1	0	359.430	1.991	20	30		FDEDRO
C[NH+]=C(NCCN1CCCS1(=O)=O)N(C)Cc1cccc(Cl)c1	ZINC000073780432	522607385	/nfs/dbraw/zinc/60/73/85/522607385.db2.gz	IMXZKEXIWOIMHB-UHFFFAOYSA-N	1	0	358.895	1.383	20	30		FDEDRO
C=CCNC(N[C@H]1CCOc2ccccc21)=[NH+]C[C@@H]1CCS(=O)(=O)C1	ZINC000073807128	522610951	/nfs/dbraw/zinc/61/09/51/522610951.db2.gz	SKQJICXHCMOISE-HOCLYGCPSA-N	1	0	363.483	1.666	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(CC(N)=O)CC2)c(OC)c1	ZINC000048026267	522657121	/nfs/dbraw/zinc/65/71/21/522657121.db2.gz	JCEYHYRIVNGFFQ-QGZVFWFLSA-N	1	0	362.470	1.751	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1	ZINC000048047286	522659103	/nfs/dbraw/zinc/65/91/03/522659103.db2.gz	TUMKZBYNXQSVCV-CABCVRRESA-N	1	0	364.490	1.357	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1CC[NH+](CCCOCC(F)(F)F)CC1	ZINC000064518412	522725169	/nfs/dbraw/zinc/72/51/69/522725169.db2.gz	RVOYTYGJRXJCFO-UHFFFAOYSA-N	1	0	363.424	1.774	20	30		FDEDRO
C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCCOc1ccc(C#N)cc1	ZINC000074736865	522828492	/nfs/dbraw/zinc/82/84/92/522828492.db2.gz	WCWHFCZZWYJBTB-SFHVURJKSA-N	1	0	360.458	1.689	20	30		FDEDRO
CN(c1c(C#N)c(=O)n(C)c(=O)n1C)[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000074775039	522835703	/nfs/dbraw/zinc/83/57/03/522835703.db2.gz	LXNDCBSFQSTXRV-INIZCTEOSA-N	1	0	367.453	1.056	20	30		FDEDRO
CC(C)[C@H](CNS(=O)(=O)c1ccccc1C#N)N1CC[NH+](C)CC1	ZINC000049737026	522859951	/nfs/dbraw/zinc/85/99/51/522859951.db2.gz	QLKXUJRZKMBXQH-INIZCTEOSA-N	1	0	350.488	1.109	20	30		FDEDRO
Cn1nnnc1SCCC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000065930280	522921289	/nfs/dbraw/zinc/92/12/89/522921289.db2.gz	PMVGHJDKNMPCKI-UHFFFAOYSA-N	1	0	373.486	1.154	20	30		FDEDRO
COC(=O)c1cccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)n1	ZINC000065930447	522922126	/nfs/dbraw/zinc/92/21/26/522922126.db2.gz	CZYRCAGBDYQKAO-UHFFFAOYSA-N	1	0	366.421	1.944	20	30		FDEDRO
N#Cc1ccc(-c2nnc(CN3CC[C@H](C[NH+]4CCOCC4)C3)o2)cc1	ZINC000075768338	522965671	/nfs/dbraw/zinc/96/56/71/522965671.db2.gz	BVWONJVOSXBUIZ-MRXNPFEDSA-N	1	0	353.426	1.762	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1CN1CCOCC1	ZINC000075890640	522988954	/nfs/dbraw/zinc/98/89/54/522988954.db2.gz	FPBZSZARASIPFE-UXHICEINSA-N	1	0	360.498	1.951	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H](C)Oc2ccccc2C#N)CC1	ZINC000076485634	523123669	/nfs/dbraw/zinc/12/36/69/523123669.db2.gz	KKLBYBYFDRDCRH-SJORKVTESA-N	1	0	358.486	1.715	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(CC[NH+]2CCCC2)CC1	ZINC000052850921	523287108	/nfs/dbraw/zinc/28/71/08/523287108.db2.gz	JMKAYKFAGXDBEP-KRWDZBQOSA-N	1	0	356.470	1.566	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+]C3(c4ccccc4)CC3)CC2)o1	ZINC000077378696	523314138	/nfs/dbraw/zinc/31/41/38/523314138.db2.gz	OSGDFQRSYZCAAH-UHFFFAOYSA-N	1	0	365.437	1.782	20	30		FDEDRO
C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ncn(Cc2ccccc2)n1	ZINC000077706168	523421832	/nfs/dbraw/zinc/42/18/32/523421832.db2.gz	RKQMVWCDFWMASB-HNNXBMFYSA-N	1	0	370.457	1.905	20	30		FDEDRO
C=C(Cl)CNC(=O)C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000077779363	523462632	/nfs/dbraw/zinc/46/26/32/523462632.db2.gz	RBFIXMVNEHTLKO-UHFFFAOYSA-N	1	0	364.877	1.631	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCc2nn(C)c(=O)cc2C1	ZINC000078616589	523617415	/nfs/dbraw/zinc/61/74/15/523617415.db2.gz	JQKZMEVXGHLKCG-KRWDZBQOSA-N	1	0	355.438	1.307	20	30		FDEDRO
N#CCN(CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CCCC1	ZINC000156648793	524124208	/nfs/dbraw/zinc/12/42/08/524124208.db2.gz	SDTMLJKBWJVKJE-UHFFFAOYSA-N	1	0	362.518	1.906	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2ccc(S(N)(=O)=O)c(C)c2)CC1	ZINC000135464170	524144053	/nfs/dbraw/zinc/14/40/53/524144053.db2.gz	WTJMKJIBSHTLLZ-UHFFFAOYSA-N	1	0	351.472	1.413	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCC[NH+]1CCC(O)CC1	ZINC000136140824	524186601	/nfs/dbraw/zinc/18/66/01/524186601.db2.gz	BNBHKERJYZMSBG-IBGZPJMESA-N	1	0	359.470	1.925	20	30		FDEDRO
CS(=O)(=O)N1CCC(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CC1	ZINC000083034554	524234600	/nfs/dbraw/zinc/23/46/00/524234600.db2.gz	MKCZVWRSGSSFFT-OAHLLOKOSA-N	1	0	366.487	1.086	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](N3CCCN(C(=O)C4CC4)CC3)C2=O)cc1	ZINC000121370356	524236874	/nfs/dbraw/zinc/23/68/74/524236874.db2.gz	UUPKIEDJKLNJSY-SFHVURJKSA-N	1	0	352.438	1.608	20	30		FDEDRO
CNC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1	ZINC000111264104	524238024	/nfs/dbraw/zinc/23/80/24/524238024.db2.gz	WOFLYKJTAWJOMC-CABCVRRESA-N	1	0	360.433	1.919	20	30		FDEDRO
CCN1CC[NH+](CCCCNC(=O)C#Cc2ccc3c(c2)OCO3)CC1	ZINC000137529637	524241041	/nfs/dbraw/zinc/24/10/41/524241041.db2.gz	DEMUPDLVLKDJIK-UHFFFAOYSA-N	1	0	357.454	1.301	20	30		FDEDRO
C=CCC[C@H](O)C[N@@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000121425727	524254831	/nfs/dbraw/zinc/25/48/31/524254831.db2.gz	GHXXNAPFIRGWDQ-INIZCTEOSA-N	1	0	356.463	1.849	20	30		FDEDRO
CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000157617012	524309059	/nfs/dbraw/zinc/30/90/59/524309059.db2.gz	NXJXLJZZYUOIFL-GFCCVEGCSA-N	1	0	352.416	1.429	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H](c2ccccc2F)N2CCOCC2)CC1	ZINC000173101781	524319995	/nfs/dbraw/zinc/31/99/95/524319995.db2.gz	RHJZVHRWXUZYLE-IBGZPJMESA-N	1	0	361.461	1.966	20	30		FDEDRO
N#CC1CCN(CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)CC1	ZINC000141969250	524343495	/nfs/dbraw/zinc/34/34/95/524343495.db2.gz	XJBNMJSTXPPUMO-UHFFFAOYSA-N	1	0	360.502	1.863	20	30		FDEDRO
CO/N=C/c1ccc(C(=O)N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)cc1	ZINC000173280127	524363554	/nfs/dbraw/zinc/36/35/54/524363554.db2.gz	KLCQCTCBBRJZDP-DDNKWHRWSA-N	1	0	358.486	1.909	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccnc1N1CCOCC1	ZINC000086283967	524380721	/nfs/dbraw/zinc/38/07/21/524380721.db2.gz	UUJJKPSEKJLZPX-UHFFFAOYSA-N	1	0	360.462	1.617	20	30		FDEDRO
CCC[NH+]1CCC(N2CCN(CC(=O)Nc3ccc(C#N)cc3)CC2)CC1	ZINC000112358188	524468709	/nfs/dbraw/zinc/46/87/09/524468709.db2.gz	IKWWYDKFEYFXGE-UHFFFAOYSA-N	1	0	369.513	1.989	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCc3cccc(CO)c3)=[NH+]C[C@@H]2C1	ZINC000089120876	524477561	/nfs/dbraw/zinc/47/75/61/524477561.db2.gz	RNZTXTZLQLTPGC-MRXNPFEDSA-N	1	0	360.458	1.559	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCc2nn(C)c(=O)cc2C1)C(C)C	ZINC000173927539	524488527	/nfs/dbraw/zinc/48/85/27/524488527.db2.gz	WZKKHHKFUYREAV-GOSISDBHSA-N	1	0	373.501	1.547	20	30		FDEDRO
N#CC1(NC(=O)CN2CCC(OCC[NH+]3CCCC3)CC2)CCCCC1	ZINC000173958979	524492854	/nfs/dbraw/zinc/49/28/54/524492854.db2.gz	KSXQSPVTFFRMLM-UHFFFAOYSA-N	1	0	362.518	1.906	20	30		FDEDRO
C[NH+](C)CCn1nnnc1SCc1nnc(-c2ccc(C#N)cc2)o1	ZINC000150885855	524500885	/nfs/dbraw/zinc/50/08/85/524500885.db2.gz	ABFUAMBKANPGHY-UHFFFAOYSA-N	1	0	356.415	1.449	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3c(F)cc(C#N)cc3F)CC[C@@H]21	ZINC000122334422	524512576	/nfs/dbraw/zinc/51/25/76/524512576.db2.gz	SPIVCCKPDHXASZ-DOMZBBRYSA-N	1	0	355.410	1.941	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H](C)NC(=O)C2CCCCC2)c1C#N	ZINC000089677682	524519471	/nfs/dbraw/zinc/51/94/71/524519471.db2.gz	OZRUXURSTPIWLZ-CYBMUJFWSA-N	1	0	374.489	1.847	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1C#N	ZINC000089675420	524520030	/nfs/dbraw/zinc/52/00/30/524520030.db2.gz	WMWKSTNSGFRQDI-UHFFFAOYSA-N	1	0	358.358	1.602	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)c1ccc(C#N)cc1F	ZINC000151168176	524531885	/nfs/dbraw/zinc/53/18/85/524531885.db2.gz	XBNKTHCMXVURKC-UHFFFAOYSA-N	1	0	362.430	1.845	20	30		FDEDRO
COc1ccc(-c2nnc(C[N@H+](C)CCCc3[nH]nc(N)c3C#N)o2)cc1	ZINC000089942878	524553490	/nfs/dbraw/zinc/55/34/90/524553490.db2.gz	ZGBXRQUSOVGDLM-UHFFFAOYSA-N	1	0	367.413	1.987	20	30		FDEDRO
Cc1ccccc1CNC(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000089943294	524557358	/nfs/dbraw/zinc/55/73/58/524557358.db2.gz	NKYBQIUDHCVXCW-AWEZNQCLSA-N	1	0	354.458	1.741	20	30		FDEDRO
C=CCC[C@@H](CCC)[NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1	ZINC000090026850	524574087	/nfs/dbraw/zinc/57/40/87/524574087.db2.gz	KGIIQPSXLHRHNQ-MRXNPFEDSA-N	1	0	359.536	1.752	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1csc(S(N)(=O)=O)c1)C(C)C	ZINC000112919935	524594963	/nfs/dbraw/zinc/59/49/63/524594963.db2.gz	VYMOSSYVBLWVPK-AWEZNQCLSA-N	1	0	371.528	1.824	20	30		FDEDRO
C[C@H]1C[C@H](N(C)C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC[N@@H+]1C	ZINC000122742656	524608295	/nfs/dbraw/zinc/60/82/95/524608295.db2.gz	OHXRIZIKMZWCBS-WMLDXEAASA-N	1	0	363.483	1.414	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCN(c3ccn(C)n3)C2=O)cc1	ZINC000174588356	524637390	/nfs/dbraw/zinc/63/73/90/524637390.db2.gz	KXFQJCKKFFXLSW-RHSMWYFYSA-N	1	0	353.426	1.996	20	30		FDEDRO
C[C@H](Sc1nnnn1CC[NH+](C)C)C(=O)NC1(C#N)CCCCC1	ZINC000151666340	524647229	/nfs/dbraw/zinc/64/72/29/524647229.db2.gz	BNWNGPQMLCQMQH-LBPRGKRZSA-N	1	0	351.480	1.058	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NCC[N@H+]1CCCC[C@@H]1C	ZINC000174633814	524662624	/nfs/dbraw/zinc/66/26/24/524662624.db2.gz	FQQPLWUYQUXCTH-AWEZNQCLSA-N	1	0	361.417	1.767	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)n1	ZINC000091209360	524662854	/nfs/dbraw/zinc/66/28/54/524662854.db2.gz	PDVFJHZIXPBHPV-CQSZACIVSA-N	1	0	360.462	1.512	20	30		FDEDRO
CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000151721175	524664355	/nfs/dbraw/zinc/66/43/55/524664355.db2.gz	ZCEKNSWMBZVAHB-AWEZNQCLSA-N	1	0	350.394	1.109	20	30		FDEDRO
O=C(NCC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)C1N=CC=CC1=O	ZINC000113360951	524670501	/nfs/dbraw/zinc/67/05/01/524670501.db2.gz	FNDDJVODMMLJCH-ZCXUNETKSA-N	1	0	355.373	1.832	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@H](C)C#N)c(C)c2)CC1	ZINC000091268216	524687925	/nfs/dbraw/zinc/68/79/25/524687925.db2.gz	MMHYRUMLAUOTLA-CQSZACIVSA-N	1	0	357.458	1.351	20	30		FDEDRO
C#CCC[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2C(F)(F)F)CC1	ZINC000091480567	524712182	/nfs/dbraw/zinc/71/21/82/524712182.db2.gz	SUVKRIQIPGLYJL-UHFFFAOYSA-N	1	0	361.389	1.498	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1	ZINC000123312790	524724457	/nfs/dbraw/zinc/72/44/57/524724457.db2.gz	VYQYEUMZSVAZCC-INIZCTEOSA-N	1	0	355.438	1.581	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)Nc2cc(C#N)ccc2C)CC1	ZINC000174769765	524730469	/nfs/dbraw/zinc/73/04/69/524730469.db2.gz	PTPMBEKYYCNSGT-OAHLLOKOSA-N	1	0	371.485	1.195	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N(CC[NH+](C)C)C(C)C)ccc1F	ZINC000151969944	524744610	/nfs/dbraw/zinc/74/46/10/524744610.db2.gz	IQJYSDIHZBSPNQ-UHFFFAOYSA-N	1	0	371.478	1.702	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCCCC2)N1CC[C@@H](C)[C@H](n2ccnc2)C1	ZINC000159956335	524774841	/nfs/dbraw/zinc/77/48/41/524774841.db2.gz	VAGGIGQYBBFACA-HZPDHXFCSA-N	1	0	370.505	1.860	20	30		FDEDRO
CCc1cccc(/N=C2\NC(=O)C(CC(=O)NCCC[NH+](C)C)S2)c1	ZINC000174892740	524782766	/nfs/dbraw/zinc/78/27/66/524782766.db2.gz	JEDCBNWYYMHGPN-OAHLLOKOSA-N	1	0	362.499	1.926	20	30		FDEDRO
C[NH+](C)CCCNC(=O)CC1S/C(=N/c2ccc3c(c2)CCC3)NC1=O	ZINC000174892830	524784555	/nfs/dbraw/zinc/78/45/55/524784555.db2.gz	LWBRAQQBFLVSAF-MRXNPFEDSA-N	1	0	374.510	1.852	20	30		FDEDRO
CC[NH+]=C(NCC1CCN(C(C)=O)CC1)N1CC[C@@H](C)[C@@H](n2ccnc2)C1	ZINC000160041175	524793947	/nfs/dbraw/zinc/79/39/47/524793947.db2.gz	CRAQNTXUUCNJPA-APWZRJJASA-N	1	0	374.533	1.990	20	30		FDEDRO
C=CCc1ccc(OCC(=O)NC[C@H](O)C[NH+]2CCCCC2)c(OC)c1	ZINC000160340477	524862279	/nfs/dbraw/zinc/86/22/79/524862279.db2.gz	TXAPILOEHSNAFE-KRWDZBQOSA-N	1	0	362.470	1.766	20	30		FDEDRO
C=C(C)COc1cc(C[N@H+](C)C[C@H](O)CN2CCOCC2)ccc1OC	ZINC000093584151	524995162	/nfs/dbraw/zinc/99/51/62/524995162.db2.gz	YWJCAEQGIQJGCX-SFHVURJKSA-N	1	0	364.486	1.775	20	30		FDEDRO
C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1	ZINC000160966835	525007089	/nfs/dbraw/zinc/00/70/89/525007089.db2.gz	HNSLSHCJCVZDJX-UHFFFAOYSA-N	1	0	359.474	1.443	20	30		FDEDRO
CN(C(=O)CN1CCC([N@H+](C)CCCO)CC1)C1(C#N)CCCCC1	ZINC000115550054	525016546	/nfs/dbraw/zinc/01/65/46/525016546.db2.gz	LOQCDVDZNSRGNW-UHFFFAOYSA-N	1	0	350.507	1.450	20	30		FDEDRO
N#Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)nc1	ZINC000176040198	525045958	/nfs/dbraw/zinc/04/59/58/525045958.db2.gz	UTEHDRXLLQGSIL-UHFFFAOYSA-N	1	0	350.422	1.840	20	30		FDEDRO
C[NH+](C)Cc1cc(CNC(=O)CNC(=O)c2ccc(C#N)cc2)ccc1F	ZINC000115716040	525049970	/nfs/dbraw/zinc/04/99/70/525049970.db2.gz	XPBNXDYITAQYPN-UHFFFAOYSA-N	1	0	368.412	1.805	20	30		FDEDRO
COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1C#N)CC2	ZINC000124692650	525053740	/nfs/dbraw/zinc/05/37/40/525053740.db2.gz	XEGZFJMJGYADRP-TZMCWYRMSA-N	1	0	354.414	1.228	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C)c1	ZINC000124953290	525114156	/nfs/dbraw/zinc/11/41/56/525114156.db2.gz	JEZBAHJTZWOZPE-INIZCTEOSA-N	1	0	353.488	1.596	20	30		FDEDRO
Cc1cccc(S(=O)(=O)NCCN2CCC([NH+](C)C)CC2)c1C#N	ZINC000124980754	525118077	/nfs/dbraw/zinc/11/80/77/525118077.db2.gz	UWMVONXLYQZBAT-UHFFFAOYSA-N	1	0	350.488	1.171	20	30		FDEDRO
CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)c2ccc(Cl)cc2C#N)CC1	ZINC000161669893	525147262	/nfs/dbraw/zinc/14/72/62/525147262.db2.gz	VQDPIWNHWBUMAX-HNNXBMFYSA-N	1	0	371.890	1.583	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCCCC[N@H+]2CCC[C@H]2CO)c(F)c1	ZINC000161699287	525153650	/nfs/dbraw/zinc/15/36/50/525153650.db2.gz	CRZIJBRSMQWPDK-AWEZNQCLSA-N	1	0	355.435	1.213	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cccc(C[S@@](=O)CCOC)c2)CC1	ZINC000116681440	525191880	/nfs/dbraw/zinc/19/18/80/525191880.db2.gz	ZRLLWOGELCPTJY-RUZDIDTESA-N	1	0	362.495	1.865	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CCC(=O)N2CCN(c3ccccn3)CC2)s1	ZINC000176959024	525206261	/nfs/dbraw/zinc/20/62/61/525206261.db2.gz	ARDVZTOUMCQMGJ-UHFFFAOYSA-N	1	0	355.467	1.843	20	30		FDEDRO
CC[C@@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)CCN1CC(F)F	ZINC000153561151	525248536	/nfs/dbraw/zinc/24/85/36/525248536.db2.gz	LSAJNEHYIPTYFQ-CVEARBPZSA-N	1	0	353.413	1.959	20	30		FDEDRO
C=CC[C@H](C)NC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1	ZINC000117075927	525285218	/nfs/dbraw/zinc/28/52/18/525285218.db2.gz	OCGNPNOONAQSET-AWEZNQCLSA-N	1	0	372.469	1.403	20	30		FDEDRO
COC(=O)CN(CC#N)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1	ZINC000177622163	525321822	/nfs/dbraw/zinc/32/18/22/525321822.db2.gz	WUKXLUWYUROLPJ-UHFFFAOYSA-N	1	0	372.469	1.074	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000103237452	525340591	/nfs/dbraw/zinc/34/05/91/525340591.db2.gz	SDSDOXJSCOWUHY-UHFFFAOYSA-N	1	0	355.442	1.639	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1	ZINC000178015090	525369134	/nfs/dbraw/zinc/36/91/34/525369134.db2.gz	WVYXZZGFBFCYSC-DLBZAZTESA-N	1	0	372.469	1.530	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1	ZINC000177999323	525369794	/nfs/dbraw/zinc/36/97/94/525369794.db2.gz	RNEQQQFJQCZKQN-CABCVRRESA-N	1	0	361.417	1.765	20	30		FDEDRO
COCCN(CCC#N)C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1	ZINC000163248808	525381779	/nfs/dbraw/zinc/38/17/79/525381779.db2.gz	FHJOUIQMUFKXPS-UHFFFAOYSA-N	1	0	359.470	1.893	20	30		FDEDRO
CC(C)CNC(=[NH2+])NCc1cccc(NC(=O)CCN2CCOCC2)c1	ZINC000104166463	525397824	/nfs/dbraw/zinc/39/78/24/525397824.db2.gz	WGJFUGAYFHVNFQ-UHFFFAOYSA-N	1	0	361.490	1.408	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCC(C)(C)N2CCOCC2)cc1OC	ZINC000104154924	525398212	/nfs/dbraw/zinc/39/82/12/525398212.db2.gz	NGARVLLLYMLVRJ-UHFFFAOYSA-N	1	0	350.463	1.219	20	30		FDEDRO
C#CCCN1CCN(CC(=O)N[C@@H](c2nccs2)c2ccccc2)CC1	ZINC000127272409	525404212	/nfs/dbraw/zinc/40/42/12/525404212.db2.gz	JSZHMLGFMGFABP-LJQANCHMSA-N	1	0	368.506	1.990	20	30		FDEDRO
N#Cc1ccc(F)c(CS(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1	ZINC000163503407	525417744	/nfs/dbraw/zinc/41/77/44/525417744.db2.gz	PXOYZQONOSWYOR-HNNXBMFYSA-N	1	0	351.447	1.945	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NC[C@H](C)CN2CCOCC2)cc1OC	ZINC000178564746	525445520	/nfs/dbraw/zinc/44/55/20/525445520.db2.gz	GCZSZHZHBISXIN-HNNXBMFYSA-N	1	0	364.490	1.119	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H](O)COc2ccc(F)c(F)c2)CC1	ZINC000104932737	525453619	/nfs/dbraw/zinc/45/36/19/525453619.db2.gz	QYVQXXSGOFDVKE-AWEZNQCLSA-N	1	0	352.381	1.166	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC[N@@H+](C)[C@H](C)CC)cc1	ZINC000118116426	525460583	/nfs/dbraw/zinc/46/05/83/525460583.db2.gz	VNSBOXXSWHGXHX-CQSZACIVSA-N	1	0	360.458	1.387	20	30		FDEDRO
C[NH+](C)C[C@H](O)COc1ccc(NC(=O)CNc2ccc(C#N)cc2)cc1	ZINC000164717940	525527439	/nfs/dbraw/zinc/52/74/39/525527439.db2.gz	YMPIMJPWIWJXHR-SFHVURJKSA-N	1	0	368.437	1.910	20	30		FDEDRO
C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N1CCO[C@H](COC)C1	ZINC000179261596	525550821	/nfs/dbraw/zinc/55/08/21/525550821.db2.gz	SMZXBWUXRXSMLW-VIFPVBQESA-N	1	0	352.382	1.585	20	30		FDEDRO
C[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@@H]1CCCN1c1cccnn1	ZINC000106085644	525570716	/nfs/dbraw/zinc/57/07/16/525570716.db2.gz	KGEOTFSZPPCLCQ-INIZCTEOSA-N	1	0	355.446	1.033	20	30		FDEDRO
C[C@@H](O)C[N@@H+]1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C	ZINC000106100989	525584535	/nfs/dbraw/zinc/58/45/35/525584535.db2.gz	HGPLBSODWUEJAH-CHWSQXEVSA-N	1	0	350.850	1.537	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1C#N	ZINC000118955014	525588258	/nfs/dbraw/zinc/58/82/58/525588258.db2.gz	IPCJQSNESOLREP-QGZVFWFLSA-N	1	0	368.437	1.757	20	30		FDEDRO
N#CCCN(C(=O)CN1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1	ZINC000129109063	525616382	/nfs/dbraw/zinc/61/63/82/525616382.db2.gz	VAGYWERRDQIWGN-SFHVURJKSA-N	1	0	356.470	1.587	20	30		FDEDRO
CN(C)C(=O)CN1CCC[N@H+](Cc2ccc(N(C)CCC#N)cc2)CC1	ZINC000129400760	525651453	/nfs/dbraw/zinc/65/14/53/525651453.db2.gz	NLLVOZUOPBIWKS-UHFFFAOYSA-N	1	0	357.502	1.632	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000154891106	525673610	/nfs/dbraw/zinc/67/36/10/525673610.db2.gz	GTOALSLRYZUKAM-AWEZNQCLSA-N	1	0	369.425	1.939	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CCO[C@H](C#N)C3)cc2)CC1	ZINC000106331281	525692976	/nfs/dbraw/zinc/69/29/76/525692976.db2.gz	NIMXZROVIGCRQU-LJQANCHMSA-N	1	0	371.485	1.258	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1	ZINC000180426280	525706499	/nfs/dbraw/zinc/70/64/99/525706499.db2.gz	FQXNCJWKKDXYPA-QAPCUYQASA-N	1	0	373.457	1.938	20	30		FDEDRO
CC(C)C[C@H](NC(=O)Nc1ccn(CCC#N)n1)C(=O)NCC[NH+](C)C	ZINC000130053970	525718134	/nfs/dbraw/zinc/71/81/34/525718134.db2.gz	YSKNZPLXRXMXLD-AWEZNQCLSA-N	1	0	363.466	1.011	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@H](O)COc1ccc(C#N)cc1	ZINC000119402508	525733565	/nfs/dbraw/zinc/73/35/65/525733565.db2.gz	SSSIPBADZKNQDT-AWEZNQCLSA-N	1	0	354.414	1.040	20	30		FDEDRO
C[NH+]1CCN(CCNC(=O)c2occc2COc2cccc(C#N)c2)CC1	ZINC000170920294	525769881	/nfs/dbraw/zinc/76/98/81/525769881.db2.gz	SFZNOQBTGKLWCP-UHFFFAOYSA-N	1	0	368.437	1.707	20	30		FDEDRO
CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)cc1	ZINC000181024656	525791563	/nfs/dbraw/zinc/79/15/63/525791563.db2.gz	BRJKADGUXMJZMS-CXAGYDPISA-N	1	0	366.487	1.300	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cc(Br)c(=O)n(C)c2)CC1	ZINC000119622600	525807412	/nfs/dbraw/zinc/80/74/12/525807412.db2.gz	BTIGOOHBUUEEEJ-UHFFFAOYSA-N	1	0	352.232	1.432	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1	ZINC000131102876	525827961	/nfs/dbraw/zinc/82/79/61/525827961.db2.gz	VZSBIZKPOSODLW-MRXNPFEDSA-N	1	0	358.490	1.946	20	30		FDEDRO
CN(C(=[NH2+])NCc1cccc(NC(=O)CCN2CCOCC2)c1)C1CC1	ZINC000181463181	525855939	/nfs/dbraw/zinc/85/59/39/525855939.db2.gz	IQKWZVHXONVGTO-UHFFFAOYSA-N	1	0	359.474	1.256	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)CC1	ZINC000107369113	525874840	/nfs/dbraw/zinc/87/48/40/525874840.db2.gz	KUPSMAKQHVPQNI-ROUUACIJSA-N	1	0	361.534	1.429	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)CC1	ZINC000107369112	525876344	/nfs/dbraw/zinc/87/63/44/525876344.db2.gz	KUPSMAKQHVPQNI-ZWKOTPCHSA-N	1	0	361.534	1.429	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN([C@@H](C)C(=O)Nc3ccccc3C#N)C2)CC1	ZINC000107369346	525877068	/nfs/dbraw/zinc/87/70/68/525877068.db2.gz	GWWKBAYOKOUQGD-FUHWJXTLSA-N	1	0	355.486	1.597	20	30		FDEDRO
CCN(CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1)C[C@@H](C)C#N	ZINC000155638725	525928475	/nfs/dbraw/zinc/92/84/75/525928475.db2.gz	LTCVQZIELCBOSP-INIZCTEOSA-N	1	0	357.458	1.844	20	30		FDEDRO
C[NH+]=C(NCCc1ccc(OCC(=O)NC2CC2)cc1)NCc1ccco1	ZINC000171410160	525983909	/nfs/dbraw/zinc/98/39/09/525983909.db2.gz	HNSVZGDKAPNZNM-UHFFFAOYSA-N	1	0	370.453	1.845	20	30		FDEDRO
C[C@@H]([NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1)c1cccc(C#N)c1	ZINC000181986440	526009391	/nfs/dbraw/zinc/00/93/91/526009391.db2.gz	YCIALNAXXYIJEN-CQSZACIVSA-N	1	0	373.482	1.796	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)N2CCC(O)CC2)CC1	ZINC000171565906	526038346	/nfs/dbraw/zinc/03/83/46/526038346.db2.gz	XGMPGGDHBGQPJP-FQEVSTJZSA-N	1	0	357.498	1.951	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)CC1	ZINC000171697388	526081612	/nfs/dbraw/zinc/08/16/12/526081612.db2.gz	OGUUQKTYXNVPCO-UHFFFAOYSA-N	1	0	370.375	1.992	20	30		FDEDRO
CCC[NH+]1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1	ZINC000156219517	526083006	/nfs/dbraw/zinc/08/30/06/526083006.db2.gz	XEALYIKCZWKEES-UHFFFAOYSA-N	1	0	352.416	1.619	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2cccnc2N2CCOCC2)CC1	ZINC000171710018	526088298	/nfs/dbraw/zinc/08/82/98/526088298.db2.gz	UHTLZRVEEPYZAK-UHFFFAOYSA-N	1	0	359.474	1.368	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)CC1	ZINC000171716597	526091339	/nfs/dbraw/zinc/09/13/39/526091339.db2.gz	RFOMOJRUQNCMLG-KRWDZBQOSA-N	1	0	371.481	1.810	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H](NC(=O)COc2ccccc2)C(C)C)CC1	ZINC000171723454	526093421	/nfs/dbraw/zinc/09/34/21/526093421.db2.gz	BYEXHDOBYOPFCI-FQEVSTJZSA-N	1	0	373.497	1.973	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](CNC(=O)CCC)C2)CC1	ZINC000171738631	526103796	/nfs/dbraw/zinc/10/37/96/526103796.db2.gz	BEWFEOGOUWUCEH-MRXNPFEDSA-N	1	0	350.507	1.975	20	30		FDEDRO
C[NH+]1CCN(c2cc(C(=O)NCc3ccc(C#N)cc3F)ccn2)CC1	ZINC000171804577	526128912	/nfs/dbraw/zinc/12/89/12/526128912.db2.gz	PBSPSVVVJOFVRO-UHFFFAOYSA-N	1	0	353.401	1.774	20	30		FDEDRO
COc1cc(C#N)ccc1C[N@@H+]1CCCC[C@H]1CCNS(C)(=O)=O	ZINC000120666272	526145113	/nfs/dbraw/zinc/14/51/13/526145113.db2.gz	DQHSPRZNAYNWIN-INIZCTEOSA-N	1	0	351.472	1.861	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1	ZINC000120717735	526163772	/nfs/dbraw/zinc/16/37/72/526163772.db2.gz	IDQHTRVBRWKLQK-UHFFFAOYSA-N	1	0	358.442	1.716	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](N3CC[NH+](C[C@@H]4CCOC4)CC3)C2=O)cc1	ZINC000182829888	535871455	/nfs/dbraw/zinc/87/14/55/535871455.db2.gz	MASNDNCHQKSPMU-AZUAARDMSA-N	1	0	368.481	1.708	20	30		FDEDRO
CCC[N@H+](CCO)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000183161189	535931354	/nfs/dbraw/zinc/93/13/54/535931354.db2.gz	NJSUJQUYZGIFET-HNNXBMFYSA-N	1	0	350.488	1.161	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1	ZINC000183432260	535980801	/nfs/dbraw/zinc/98/08/01/535980801.db2.gz	ATMYVYBVEVDYOY-UHFFFAOYSA-N	1	0	360.414	1.400	20	30		FDEDRO
COC[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C1CC1	ZINC000183442742	535982623	/nfs/dbraw/zinc/98/26/23/535982623.db2.gz	UBOLVDKQVBRUMP-RTBURBONSA-N	1	0	374.460	1.549	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2cnc(N3CCOCC3)c(F)c2)CC1	ZINC000183755240	536044027	/nfs/dbraw/zinc/04/40/27/536044027.db2.gz	AIKZBLFYDWNNLY-UHFFFAOYSA-N	1	0	360.433	1.019	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](N3CCOCC4(CCOCC4)C3)C2=O)cc1	ZINC000184125770	536100503	/nfs/dbraw/zinc/10/05/03/536100503.db2.gz	DVKREIDJHVTAOH-GOSISDBHSA-N	1	0	355.438	1.793	20	30		FDEDRO
C=C(C)COCCNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1	ZINC000187233265	536258357	/nfs/dbraw/zinc/25/83/57/536258357.db2.gz	MHQCORKIWIZCSS-UHFFFAOYSA-N	1	0	374.485	1.476	20	30		FDEDRO
C=C(C)COCCNC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000187593289	536269638	/nfs/dbraw/zinc/26/96/38/536269638.db2.gz	QCCZTKUYVIEZHI-HXUWFJFHSA-N	1	0	361.486	1.858	20	30		FDEDRO
C[NH+]=C(NC[C@](C)(O)c1ccco1)N[C@@H]1CCc2nnc(C(C)C)n2C1	ZINC000262822452	536910773	/nfs/dbraw/zinc/91/07/73/536910773.db2.gz	XHLMQTDBLWEDTO-ACJLOTCBSA-N	1	0	360.462	1.382	20	30		FDEDRO
CC[NH+](CC)[C@H]1CCN(CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1	ZINC000266630188	536911912	/nfs/dbraw/zinc/91/19/12/536911912.db2.gz	PFIYBCMTMIEPIJ-GOEBONIOSA-N	1	0	367.453	1.928	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1	ZINC000188662945	536922942	/nfs/dbraw/zinc/92/29/42/536922942.db2.gz	HOAKPEKJTBVYEV-GOSISDBHSA-N	1	0	366.465	1.355	20	30		FDEDRO
CC(C)(C)[NH+]1CCC(NC(=O)C(=O)Nc2cccc(OCC#N)c2)CC1	ZINC000266998417	536947325	/nfs/dbraw/zinc/94/73/25/536947325.db2.gz	ZGIBBVCKBGCLMQ-UHFFFAOYSA-N	1	0	358.442	1.907	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(F)c(C#N)c2)CC1=O	ZINC000246472882	536961275	/nfs/dbraw/zinc/96/12/75/536961275.db2.gz	QSXHHVGIIBHIKX-HOCLYGCPSA-N	1	0	358.417	1.969	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCc2cnc(N(C)C)n2C)cc1OC	ZINC000267387399	536972914	/nfs/dbraw/zinc/97/29/14/536972914.db2.gz	CBVKIUZCZLAEHS-UHFFFAOYSA-N	1	0	360.462	1.150	20	30		FDEDRO
C[NH+]=C(NCc1cc(Cl)c2c(c1)OCCO2)N1CCN(C(C)=O)CC1	ZINC000263265430	537004812	/nfs/dbraw/zinc/00/48/12/537004812.db2.gz	VAFPKGLPDWIUMH-UHFFFAOYSA-N	1	0	366.849	1.351	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCC([C@@H]3CCCO3)CC2)CC1	ZINC000189174621	537008262	/nfs/dbraw/zinc/00/82/62/537008262.db2.gz	WUGQKTSHBQTSLG-MOPGFXCFSA-N	1	0	362.518	1.570	20	30		FDEDRO
O=C(C#Cc1ccc2c(c1)OCO2)NCC1([NH+]2CCCC2)CCOCC1	ZINC000268524110	537014585	/nfs/dbraw/zinc/01/45/85/537014585.db2.gz	GOPYNKTXXBDIFO-UHFFFAOYSA-N	1	0	356.422	1.528	20	30		FDEDRO
N#CCCn1ccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)n1	ZINC000189386246	537037799	/nfs/dbraw/zinc/03/77/99/537037799.db2.gz	YPHMNLMFTVUATE-HNNXBMFYSA-N	1	0	358.446	1.212	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccccc1OCC#N	ZINC000263681170	537063669	/nfs/dbraw/zinc/06/36/69/537063669.db2.gz	KXUQTAKQVMJLRG-INIZCTEOSA-N	1	0	358.442	1.261	20	30		FDEDRO
C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000247080486	537078962	/nfs/dbraw/zinc/07/89/62/537078962.db2.gz	JELJHUQBMVKMEV-NUJGCVRESA-N	1	0	370.501	1.896	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CC1(O)CCOCC1	ZINC000189752945	537089728	/nfs/dbraw/zinc/08/97/28/537089728.db2.gz	XNZCRLGHJGUHNY-OAHLLOKOSA-N	1	0	363.433	1.934	20	30		FDEDRO
CCCC(=O)NC[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000263771446	537094853	/nfs/dbraw/zinc/09/48/53/537094853.db2.gz	SSCGLMNFDSHTDX-MSOLQXFVSA-N	1	0	359.470	1.926	20	30		FDEDRO
C=C(C)C[N@@H+](CC)CC(=O)N(CC)c1c(N)n(CCCC)c(=O)[nH]c1=O	ZINC000263842008	537115137	/nfs/dbraw/zinc/11/51/37/537115137.db2.gz	DBHKANUNXAFWEB-UHFFFAOYSA-N	1	0	365.478	1.582	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C[N@@H+]1C1CC1	ZINC000247509797	537128038	/nfs/dbraw/zinc/12/80/38/537128038.db2.gz	YGMOHYHMXCNAHG-ZNMIVQPWSA-N	1	0	369.473	1.194	20	30		FDEDRO
CC(C)c1nc(CCNC(=[NH2+])N2CCN(c3ncccn3)CC2)cs1	ZINC000264103478	537137383	/nfs/dbraw/zinc/13/73/83/537137383.db2.gz	OUIULTNCKISHKY-UHFFFAOYSA-N	1	0	359.503	1.736	20	30		FDEDRO
C#CCCOc1ccc(C[NH2+]CCS(=O)(=O)N2CCSCC2)cc1	ZINC000264972501	537150610	/nfs/dbraw/zinc/15/06/10/537150610.db2.gz	RBJUHRUSKVTVEZ-UHFFFAOYSA-N	1	0	368.524	1.557	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)CC1	ZINC000265417129	537152760	/nfs/dbraw/zinc/15/27/60/537152760.db2.gz	VCLLRRMMKXPYTJ-UHFFFAOYSA-N	1	0	371.485	1.268	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1	ZINC000248370012	537174089	/nfs/dbraw/zinc/17/40/89/537174089.db2.gz	WYCAWPJLKOIVSJ-HOTGVXAUSA-N	1	0	372.469	1.529	20	30		FDEDRO
CC#CCNC(=O)C(=O)Nc1ccc(C)c(NC(=O)CN2CCCCC2)c1	ZINC000190500796	537175577	/nfs/dbraw/zinc/17/55/77/537175577.db2.gz	SHXUVVWDAPSZMQ-UHFFFAOYSA-N	1	0	370.453	1.497	20	30		FDEDRO
CC#CCNC(=O)C(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1	ZINC000190509229	537175847	/nfs/dbraw/zinc/17/58/47/537175847.db2.gz	SREUIFQAVUSKCE-UHFFFAOYSA-N	1	0	362.861	1.560	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1	ZINC000248556185	537191269	/nfs/dbraw/zinc/19/12/69/537191269.db2.gz	IEDRBJHDNJZLBS-MOPGFXCFSA-N	1	0	360.502	1.601	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@H]3[C@H](C)CCC[C@@H]3C)CC2)o1	ZINC000248561578	537192210	/nfs/dbraw/zinc/19/22/10/537192210.db2.gz	JPPZFTBMFGFBAT-UOIKSKOESA-N	1	0	359.474	1.918	20	30		FDEDRO
C=CCOCCCC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000266377766	537199933	/nfs/dbraw/zinc/19/99/33/537199933.db2.gz	SRKOPWYNQNHFEP-IBGZPJMESA-N	1	0	373.497	1.983	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000248991066	537224335	/nfs/dbraw/zinc/22/43/35/537224335.db2.gz	HEZDZBYBDAFJCO-ZWKOTPCHSA-N	1	0	354.454	1.650	20	30		FDEDRO
Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCc1ccc(C#N)cc1	ZINC000192510310	537224891	/nfs/dbraw/zinc/22/48/91/537224891.db2.gz	SFARUWDSBDWYIL-UHFFFAOYSA-N	1	0	361.471	1.412	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H]1C(=O)NCC[C@H]1C	ZINC000249598107	537239576	/nfs/dbraw/zinc/23/95/76/537239576.db2.gz	QBPVYOQTEHQOJK-XNJGSVPQSA-N	1	0	360.483	1.991	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)N2CCN(c3ncccc3C#N)CC2)CC1	ZINC000193131799	537240565	/nfs/dbraw/zinc/24/05/65/537240565.db2.gz	UZQXGOHQTQUBTJ-UHFFFAOYSA-N	1	0	356.474	1.658	20	30		FDEDRO
N#Cc1cc(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)ccn1	ZINC000193250291	537243085	/nfs/dbraw/zinc/24/30/85/537243085.db2.gz	JEVZLYRGTGKUHA-UHFFFAOYSA-N	1	0	369.469	1.408	20	30		FDEDRO
C[NH+]=C(NCc1nnc(C)n1C)NC1CCN(c2ccccc2OC)CC1	ZINC000261990121	537253679	/nfs/dbraw/zinc/25/36/79/537253679.db2.gz	RDFVJUIZONLFKU-UHFFFAOYSA-N	1	0	371.489	1.466	20	30		FDEDRO
CCOC1CC(CNC(=[NH2+])NC2CCCCCC2)(N2CCOCC2)C1	ZINC000193828078	537255871	/nfs/dbraw/zinc/25/58/71/537255871.db2.gz	NQEUCXMATIPPDD-UHFFFAOYSA-N	1	0	352.523	1.883	20	30		FDEDRO
N#CCOc1ccc(CC(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)cc1	ZINC000363638901	537265969	/nfs/dbraw/zinc/26/59/69/537265969.db2.gz	UXFDJNZRLOHJCM-IEBWSBKVSA-N	1	0	357.454	1.749	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)CN2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)cc1	ZINC000363675501	537273715	/nfs/dbraw/zinc/27/37/15/537273715.db2.gz	XSQKCPKOVJTTBO-CEXWTWQISA-N	1	0	359.470	1.219	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)cc1	ZINC000363675506	537273844	/nfs/dbraw/zinc/27/38/44/537273844.db2.gz	OKIZLOWAYBFRES-HOTGVXAUSA-N	1	0	369.462	1.471	20	30		FDEDRO
C#Cc1ccccc1CC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000290160755	537275182	/nfs/dbraw/zinc/27/51/82/537275182.db2.gz	QULQXHISXHLWLC-UHFFFAOYSA-N	1	0	363.461	1.818	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1	ZINC000272649573	537313110	/nfs/dbraw/zinc/31/31/10/537313110.db2.gz	AKZQPKBZTAYIPY-CQSZACIVSA-N	1	0	363.483	1.531	20	30		FDEDRO
C#CCCN1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2c2ncccn2)CC1	ZINC000363796627	537318746	/nfs/dbraw/zinc/31/87/46/537318746.db2.gz	KSNIIGSKYRFXKB-OTWHNJEPSA-N	1	0	367.497	1.782	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1	ZINC000282520861	537327457	/nfs/dbraw/zinc/32/74/57/537327457.db2.gz	ACUXEQXKYPMPBY-WFASDCNBSA-N	1	0	358.895	1.869	20	30		FDEDRO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1	ZINC000194916690	537346319	/nfs/dbraw/zinc/34/63/19/537346319.db2.gz	YTAAYRSJUBBSPO-SOUVJXGZSA-N	1	0	372.494	1.897	20	30		FDEDRO
Cc1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)ccc1C#N	ZINC000270531316	537347384	/nfs/dbraw/zinc/34/73/84/537347384.db2.gz	BCMWWNNHSVTUSP-MOPGFXCFSA-N	1	0	364.449	1.875	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1	ZINC000333538164	537349355	/nfs/dbraw/zinc/34/93/55/537349355.db2.gz	IXQAVLWOMZKKIW-BDXSIMOUSA-N	1	0	351.491	1.896	20	30		FDEDRO
CCC[C@]1(COC)CCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000194931228	537350961	/nfs/dbraw/zinc/35/09/61/537350961.db2.gz	LYSPOPFTBPRMRE-AZUAARDMSA-N	1	0	364.534	1.960	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1	ZINC000293123477	537358414	/nfs/dbraw/zinc/35/84/14/537358414.db2.gz	ZIKSQRGLUOJVJC-INIZCTEOSA-N	1	0	357.414	1.367	20	30		FDEDRO
COC(=O)c1cn([C@H]2CC[N@H+](Cc3ccc(O[C@H](C)C#N)cc3)C2)nn1	ZINC000363908486	537360132	/nfs/dbraw/zinc/36/01/32/537360132.db2.gz	OFYBGFFFBVJHAA-HIFRSBDPSA-N	1	0	355.398	1.803	20	30		FDEDRO
C=CCN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cnn(C)c1	ZINC000364170357	537390970	/nfs/dbraw/zinc/39/09/70/537390970.db2.gz	WYGMPXLJYPPBFX-QGZVFWFLSA-N	1	0	360.483	1.871	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cnc1C(F)(F)F	ZINC000293276633	537404963	/nfs/dbraw/zinc/40/49/63/537404963.db2.gz	GPHLRDGQHUSGNW-LBPRGKRZSA-N	1	0	368.359	1.766	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@@H](C)C1CCOCC1)C(C)C	ZINC000284253895	537405215	/nfs/dbraw/zinc/40/52/15/537405215.db2.gz	ZLTQSOWNADBSTG-WMZOPIPTSA-N	1	0	365.518	1.733	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(c3nccnc3C#N)CC2)C1	ZINC000288302721	537475125	/nfs/dbraw/zinc/47/51/25/537475125.db2.gz	SRWRFOLOCHYKQF-CQSZACIVSA-N	1	0	358.446	1.480	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](CCO)c2ccccc2)CC1	ZINC000271695351	537476938	/nfs/dbraw/zinc/47/69/38/537476938.db2.gz	RQCGMXVRXYARIY-RBUKOAKNSA-N	1	0	358.486	1.392	20	30		FDEDRO
CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000293520697	537499291	/nfs/dbraw/zinc/49/92/91/537499291.db2.gz	STRHIKLAJOCCFZ-UHFFFAOYSA-N	1	0	357.451	1.676	20	30		FDEDRO
Cc1cc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)nn1CCC#N	ZINC000272071316	537521752	/nfs/dbraw/zinc/52/17/52/537521752.db2.gz	KLOSKNTVXDOLLG-CVEARBPZSA-N	1	0	360.462	1.605	20	30		FDEDRO
CC(C)N1CCC[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1	ZINC000274397878	537526834	/nfs/dbraw/zinc/52/68/34/537526834.db2.gz	ACTFUBLIWKPVGO-QGZVFWFLSA-N	1	0	363.483	1.462	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1	ZINC000293632135	537542860	/nfs/dbraw/zinc/54/28/60/537542860.db2.gz	ZSYVADATFYPCRM-UHFFFAOYSA-N	1	0	370.375	1.891	20	30		FDEDRO
C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000293634738	537544835	/nfs/dbraw/zinc/54/48/35/537544835.db2.gz	ZMHJKCCSZHYPLS-BBWFWOEESA-N	1	0	357.458	1.989	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1	ZINC000299402420	537566604	/nfs/dbraw/zinc/56/66/04/537566604.db2.gz	VADHPKXAIUHFKU-UHFFFAOYSA-N	1	0	353.426	1.782	20	30		FDEDRO
C#CCCOc1ccc(C[NH+]2CCC(NS(=O)(=O)CC)CC2)cc1	ZINC000289541842	537577249	/nfs/dbraw/zinc/57/72/49/537577249.db2.gz	WWELLDINUCWXSL-UHFFFAOYSA-N	1	0	350.484	1.992	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCC2	ZINC000293791996	537591035	/nfs/dbraw/zinc/59/10/35/537591035.db2.gz	MNRKUTLQCDPOET-UHFFFAOYSA-N	1	0	363.483	1.219	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cn1	ZINC000275930619	537597714	/nfs/dbraw/zinc/59/77/14/537597714.db2.gz	VVTIDAWMCPHHMD-UHFFFAOYSA-N	1	0	361.446	1.501	20	30		FDEDRO
C=CCNC(=O)c1ccccc1NC(=O)c1nnn(C2CC[NH2+]CC2)c1C	ZINC000237582972	537633243	/nfs/dbraw/zinc/63/32/43/537633243.db2.gz	ILSGZWHPCKDRSG-UHFFFAOYSA-N	1	0	368.441	1.679	20	30		FDEDRO
Cc1noc([C@@H]2CCCN2C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)n1	ZINC000329502195	537637411	/nfs/dbraw/zinc/63/74/11/537637411.db2.gz	WEJVZIYTWZBJOU-AWEZNQCLSA-N	1	0	350.467	1.455	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CCOCC(F)(F)C1	ZINC000329544284	537638565	/nfs/dbraw/zinc/63/85/65/537638565.db2.gz	FXBGZQDFWOLVKW-CABCVRRESA-N	1	0	361.433	1.636	20	30		FDEDRO
CC(C)CNC(=O)N1CCC[C@@H](C(=O)N2CC[NH+](C3CCC3)CC2)C1	ZINC000329549453	537638715	/nfs/dbraw/zinc/63/87/15/537638715.db2.gz	FEXHPWFIZRTFJF-MRXNPFEDSA-N	1	0	350.507	1.965	20	30		FDEDRO
C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccccc1CN1C(=O)CCC1=O	ZINC000329658258	537641702	/nfs/dbraw/zinc/64/17/02/537641702.db2.gz	HEEBCONZQNOIRE-KBPBESRZSA-N	1	0	358.442	1.906	20	30		FDEDRO
CN1CCO[C@@H]2CN(C(=O)Nc3cccc(N4CCCCC4=O)c3)C[C@H]21	ZINC000329915235	537644705	/nfs/dbraw/zinc/64/47/05/537644705.db2.gz	DAFMBZOWAZDWKM-IAGOWNOFSA-N	1	0	358.442	1.764	20	30		FDEDRO
CN1CCO[C@@H]2CN(C(=O)Nc3ccccc3C(=O)N3CCCC3)C[C@H]21	ZINC000329918198	537645533	/nfs/dbraw/zinc/64/55/33/537645533.db2.gz	FWNJTQJCQKCGQJ-IAGOWNOFSA-N	1	0	358.442	1.483	20	30		FDEDRO
CN1CCO[C@H]2CN(C(=O)Nc3ccccc3C(=O)N3CCCC3)C[C@H]21	ZINC000329918200	537646051	/nfs/dbraw/zinc/64/60/51/537646051.db2.gz	FWNJTQJCQKCGQJ-SJORKVTESA-N	1	0	358.442	1.483	20	30		FDEDRO
C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3COCCN3CC(F)F)cn2)CC1	ZINC000329958207	537647437	/nfs/dbraw/zinc/64/74/37/537647437.db2.gz	MMLBIXFPLUGONZ-AWEZNQCLSA-N	1	0	369.416	1.387	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@@H](C#N)C1	ZINC000285180073	537650606	/nfs/dbraw/zinc/65/06/06/537650606.db2.gz	IDENAWVBLWYOHH-HNNXBMFYSA-N	1	0	355.398	1.919	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC(C(=O)OC(C)(C)C)CC1	ZINC000330663917	537659930	/nfs/dbraw/zinc/65/99/30/537659930.db2.gz	XWFUCJFTMKNNDJ-OAHLLOKOSA-N	1	0	368.522	1.590	20	30		FDEDRO
CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1	ZINC000330751942	537660492	/nfs/dbraw/zinc/66/04/92/537660492.db2.gz	CAYXVAFLNKQPIM-HUUCEWRRSA-N	1	0	360.524	1.179	20	30		FDEDRO
C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC([NH+]2CCCCC2)CC1	ZINC000330749859	537660704	/nfs/dbraw/zinc/66/07/04/537660704.db2.gz	HQKBBIIBGULFLO-LBPRGKRZSA-N	1	0	364.412	1.918	20	30		FDEDRO
CC(C)(O)C[NH+]1CCN(C(=O)NCc2nccn2CC(F)(F)F)CC1	ZINC000331001256	537663653	/nfs/dbraw/zinc/66/36/53/537663653.db2.gz	XAWHGOGYRKYFJR-UHFFFAOYSA-N	1	0	363.384	1.248	20	30		FDEDRO
COc1ccncc1CNC(=O)N1CCN(c2snc(C)c2C#N)CC1	ZINC000294187218	537672093	/nfs/dbraw/zinc/67/20/93/537672093.db2.gz	JZPPMTNDQVZKLV-UHFFFAOYSA-N	1	0	372.454	1.759	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1	ZINC000291817926	537680109	/nfs/dbraw/zinc/68/01/09/537680109.db2.gz	NSIBVRQUVBKQJB-OXJNMPFZSA-N	1	0	359.470	1.704	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCCc2ccc(C(=O)OC)cc2OC)CC1	ZINC000294315037	537683403	/nfs/dbraw/zinc/68/34/03/537683403.db2.gz	TVHKVZXJOZUIHX-UHFFFAOYSA-N	1	0	358.438	1.486	20	30		FDEDRO
COC(=O)[C@H]1CC[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)O1	ZINC000291951821	537693011	/nfs/dbraw/zinc/69/30/11/537693011.db2.gz	BPQUNORACSFTEF-DLBZAZTESA-N	1	0	359.426	1.169	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000292062004	537704320	/nfs/dbraw/zinc/70/43/20/537704320.db2.gz	BZXJJMKCXVSGBN-PKOBYXMFSA-N	1	0	364.405	1.718	20	30		FDEDRO
CN(CCC[N@H+](C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)CC[NH+](C)C	ZINC000298529966	537723377	/nfs/dbraw/zinc/72/33/77/537723377.db2.gz	MCUQHUNXTSXINQ-LJQANCHMSA-N	1	0	357.502	1.479	20	30		FDEDRO
C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1COC[C@H]1O	ZINC000285512610	537723514	/nfs/dbraw/zinc/72/35/14/537723514.db2.gz	JVYBUYOMXMCBJL-HUUCEWRRSA-N	1	0	363.483	1.909	20	30		FDEDRO
CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1	ZINC000285560351	537730326	/nfs/dbraw/zinc/73/03/26/537730326.db2.gz	SMAJKJZRVXGIDP-DLBZAZTESA-N	1	0	361.442	1.851	20	30		FDEDRO
N#Cc1ncn(CC[NH2+]Cc2cccc(I)c2)n1	ZINC000285657999	537742561	/nfs/dbraw/zinc/74/25/61/537742561.db2.gz	YUXROHMVYYTDCM-UHFFFAOYSA-N	1	0	353.167	1.544	20	30		FDEDRO
Cc1oc(NC(=O)[C@H](C)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(C#N)c1C	ZINC000375794055	537768795	/nfs/dbraw/zinc/76/87/95/537768795.db2.gz	OKRWSTQPYYHOGM-IAOVAPTHSA-N	1	0	360.458	1.626	20	30		FDEDRO
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](C[NH+]2CCN(C)CC2)C1	ZINC000371266273	537796086	/nfs/dbraw/zinc/79/60/86/537796086.db2.gz	KUZPUIIDPVDAFS-AZUAARDMSA-N	1	0	370.497	1.732	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1	ZINC000366677206	537819941	/nfs/dbraw/zinc/81/99/41/537819941.db2.gz	HVVBVEHKEKNABA-OTWHNJEPSA-N	1	0	364.534	1.779	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[N@@H+](C2CCOCC2)CC1	ZINC000366710154	537829003	/nfs/dbraw/zinc/82/90/03/537829003.db2.gz	ORJHJJRKCFBEBR-WMZOPIPTSA-N	1	0	351.491	1.864	20	30		FDEDRO
C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCCSCc2ccccc2C#N)C1	ZINC000418911896	537841300	/nfs/dbraw/zinc/84/13/00/537841300.db2.gz	CJADZERHCLKWHI-SFHVURJKSA-N	1	0	360.483	1.105	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)NC(C)(C)CC[NH+]1CCCCCC1	ZINC000409511377	537856246	/nfs/dbraw/zinc/85/62/46/537856246.db2.gz	DQKSPNRAEFZASI-UHFFFAOYSA-N	1	0	374.551	1.728	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1	ZINC000366796066	537862543	/nfs/dbraw/zinc/86/25/43/537862543.db2.gz	BVMDHEOIZPKILX-SJORKVTESA-N	1	0	356.470	1.979	20	30		FDEDRO
CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N1CCC(C#N)CC1	ZINC000410479396	537898902	/nfs/dbraw/zinc/89/89/02/537898902.db2.gz	UBHHXCZGXRBHEC-UHFFFAOYSA-N	1	0	356.470	1.859	20	30		FDEDRO
C[NH+]1CCC(NC(=O)N2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)CC1	ZINC000372219988	537899838	/nfs/dbraw/zinc/89/98/38/537899838.db2.gz	WOEUSFGBYONHDA-YJYMSZOUSA-N	1	0	353.426	1.136	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1	ZINC000410512043	537912841	/nfs/dbraw/zinc/91/28/41/537912841.db2.gz	IORIKZGERWYMPU-QGZVFWFLSA-N	1	0	350.507	1.040	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1	ZINC000419144945	537957632	/nfs/dbraw/zinc/95/76/32/537957632.db2.gz	HDWZBKPUPHRVNW-KRWDZBQOSA-N	1	0	357.479	1.991	20	30		FDEDRO
CN1C(=O)NC2(CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)C1=O	ZINC000367687294	537968057	/nfs/dbraw/zinc/96/80/57/537968057.db2.gz	QADNAJCUAWCMCR-UHFFFAOYSA-N	1	0	356.426	1.885	20	30		FDEDRO
CN1CC[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)[C@@H]1c1ccc(F)cc1	ZINC000377655214	537993732	/nfs/dbraw/zinc/99/37/32/537993732.db2.gz	SXHFQZPLGDUPJI-MJGOQNOKSA-N	1	0	357.433	1.816	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1	ZINC000368980231	537996136	/nfs/dbraw/zinc/99/61/36/537996136.db2.gz	CUEAVWBRDYGAMZ-QZTJIDSGSA-N	1	0	358.442	1.330	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000410846042	537997920	/nfs/dbraw/zinc/99/79/20/537997920.db2.gz	YHMRDNKRDHSHQY-IAGOWNOFSA-N	1	0	365.518	1.759	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C	ZINC000369123316	538001452	/nfs/dbraw/zinc/00/14/52/538001452.db2.gz	ZUTTUJDYZQGUAO-IAGOWNOFSA-N	1	0	364.515	1.919	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)[N@H+](C)Cc1ccccc1	ZINC000369220523	538006095	/nfs/dbraw/zinc/00/60/95/538006095.db2.gz	SWNHHLAPLQOTLU-LPHOPBHVSA-N	1	0	355.486	1.889	20	30		FDEDRO
CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)sc2C1	ZINC000415340328	538013686	/nfs/dbraw/zinc/01/36/86/538013686.db2.gz	WFVXHMCQDDPFLJ-VXGBXAGGSA-N	1	0	360.483	1.797	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)NCc1nc2ncccn2n1)C(C)C	ZINC000413109198	538053112	/nfs/dbraw/zinc/05/31/12/538053112.db2.gz	FVUIFBQXUBTWEK-OAHLLOKOSA-N	1	0	357.462	1.622	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)CC[N@@H+]1C	ZINC000377982758	538054784	/nfs/dbraw/zinc/05/47/84/538054784.db2.gz	AHWNVBIIHYQTRU-CJXDPKRBSA-N	1	0	352.438	1.589	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N[C@H](CC[NH3+])C(F)F)n2)c(Cl)c1	ZINC000415463390	538061391	/nfs/dbraw/zinc/06/13/91/538061391.db2.gz	QLPUEDQUMVKNMD-LLVKDONJSA-N	1	0	368.775	2.501	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(c2cc(C(F)(F)F)cnc2C#N)CC1	ZINC000413130885	538061818	/nfs/dbraw/zinc/06/18/18/538061818.db2.gz	ZBQKEGHKJHQBDW-UHFFFAOYSA-N	1	0	369.391	1.962	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1	ZINC000378194476	538077430	/nfs/dbraw/zinc/07/74/30/538077430.db2.gz	ZCNRXDALSRQZDE-KRWDZBQOSA-N	1	0	369.469	1.044	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000378263406	538082067	/nfs/dbraw/zinc/08/20/67/538082067.db2.gz	VASGIDNCRKMTTO-ZTQAJYAQSA-N	1	0	352.438	1.733	20	30		FDEDRO
Cc1nc(CN2CCC[C@@H]([NH2+][C@H](C)C(=O)Nc3cccc(C#N)c3)C2)no1	ZINC000370979856	538096281	/nfs/dbraw/zinc/09/62/81/538096281.db2.gz	QNDZBKKRCNOXBA-CXAGYDPISA-N	1	0	368.441	1.831	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+]C3CCC(N4CCCS4(=O)=O)CC3)n2c1	ZINC000371085605	538098243	/nfs/dbraw/zinc/09/82/43/538098243.db2.gz	IZSWXVAQOLOMNN-UHFFFAOYSA-N	1	0	373.482	1.642	20	30		FDEDRO
CNS(=O)(=O)CC[NH2+]Cc1cccc(OCc2ccccc2C#N)c1	ZINC000438912051	538144823	/nfs/dbraw/zinc/14/48/23/538144823.db2.gz	NFODZSUFJVVFRH-UHFFFAOYSA-N	1	0	359.451	1.776	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]3)CC2)cc1	ZINC000419930478	538152164	/nfs/dbraw/zinc/15/21/64/538152164.db2.gz	BBLLSCXZBIDQPW-GOSISDBHSA-N	1	0	352.438	1.432	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]3)CC2)cc1	ZINC000419936297	538156450	/nfs/dbraw/zinc/15/64/50/538156450.db2.gz	LCRQRPRGFFTZRG-MRXNPFEDSA-N	1	0	370.453	1.186	20	30		FDEDRO
CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	ZINC000419947629	538160087	/nfs/dbraw/zinc/16/00/87/538160087.db2.gz	DAHMSGVBQDCOOE-KURKYZTESA-N	1	0	356.470	1.774	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)cc1	ZINC000419952077	538164451	/nfs/dbraw/zinc/16/44/51/538164451.db2.gz	NVLOPRBBGPORHH-MRXNPFEDSA-N	1	0	370.453	1.186	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C2CC2)cc1	ZINC000419973175	538172073	/nfs/dbraw/zinc/17/20/73/538172073.db2.gz	HHIKVCMGVLHVEY-INIZCTEOSA-N	1	0	354.454	1.555	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1	ZINC000419999646	538183856	/nfs/dbraw/zinc/18/38/56/538183856.db2.gz	NCLPBEQWEJJYIH-QXAKKESOSA-N	1	0	368.481	1.791	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C2CC2)cc1	ZINC000420072784	538201854	/nfs/dbraw/zinc/20/18/54/538201854.db2.gz	NNMLICPRCRJZCM-GOSISDBHSA-N	1	0	354.454	1.683	20	30		FDEDRO
N#CCC1(CS(=O)(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000451242273	538213781	/nfs/dbraw/zinc/21/37/81/538213781.db2.gz	MGKUUCNSBATLIS-GOSISDBHSA-N	1	0	363.483	1.237	20	30		FDEDRO
C=CCn1c([C@@H]2COCCO2)nnc1N1CC[NH+](C(C)(C)COC)CC1	ZINC000424120279	538239543	/nfs/dbraw/zinc/23/95/43/538239543.db2.gz	DRWHPIZMFYGTIW-HNNXBMFYSA-N	1	0	365.478	1.099	20	30		FDEDRO
CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)[C@H]([NH3+])CCCC#N)c1	ZINC000424124548	538241196	/nfs/dbraw/zinc/24/11/96/538241196.db2.gz	PAHWACQPIZOJHF-IUODEOHRSA-N	1	0	352.460	1.723	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C	ZINC000420163707	538245256	/nfs/dbraw/zinc/24/52/56/538245256.db2.gz	FQILEOYWOVAQKM-SFHVURJKSA-N	1	0	368.481	1.967	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NCc1csc(CNC(=O)c2ccccc2)n1	ZINC000424147316	538245723	/nfs/dbraw/zinc/24/57/23/538245723.db2.gz	CLEBSEXVTXSQHP-HNNXBMFYSA-N	1	0	371.466	1.710	20	30		FDEDRO
Cc1nc(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1C#N	ZINC000440502588	538247603	/nfs/dbraw/zinc/24/76/03/538247603.db2.gz	HSUFCBOMHGGVRA-FQEVSTJZSA-N	1	0	350.422	1.629	20	30		FDEDRO
C[C@@H]1CSC[C@@H]1[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000560495638	545524139	/nfs/dbraw/zinc/52/41/39/545524139.db2.gz	HWYBEYZLZUONRK-ILXRZTDVSA-N	1	0	364.540	1.798	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N[C@H]1CCC[C@H]([NH3+])C1	ZINC000420425209	538291745	/nfs/dbraw/zinc/29/17/45/538291745.db2.gz	OUTIFXJXPCAEEH-UWVGGRQHSA-N	1	0	358.261	1.869	20	30		FDEDRO
CC(C)[NH+](CCNC(=O)C1CCN(c2cncc(C#N)n2)CC1)C(C)C	ZINC000420582790	538325763	/nfs/dbraw/zinc/32/57/63/538325763.db2.gz	JJHCZPKCCVSNOM-UHFFFAOYSA-N	1	0	358.490	1.800	20	30		FDEDRO
C[NH+](C)C1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1	ZINC000420722645	538344315	/nfs/dbraw/zinc/34/43/15/538344315.db2.gz	FQIQSEHGPQQLRH-UHFFFAOYSA-N	1	0	352.416	1.618	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)nn1	ZINC000424785221	538347131	/nfs/dbraw/zinc/34/71/31/538347131.db2.gz	SCVVLDAJODTOBR-UHFFFAOYSA-N	1	0	360.506	1.344	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C)c2ccc3n[nH]cc3c2)CC1	ZINC000560508885	545530460	/nfs/dbraw/zinc/53/04/60/545530460.db2.gz	MKEQNQPSOVDEAT-BEFAXECRSA-N	1	0	368.485	1.906	20	30		FDEDRO
CC[NH+]1CCC(N2CCCN([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)CC1	ZINC000420973465	538371492	/nfs/dbraw/zinc/37/14/92/538371492.db2.gz	CNEWFCOSOWDDSF-HXUWFJFHSA-N	1	0	369.513	1.577	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)C2CC2)cc1	ZINC000423577019	538401144	/nfs/dbraw/zinc/40/11/44/538401144.db2.gz	ZPUBTVCIRZMJLH-DLBZAZTESA-N	1	0	352.438	1.117	20	30		FDEDRO
N#Cc1ccc([C@@H](Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)C(N)=O)cc1	ZINC000461090466	538502604	/nfs/dbraw/zinc/50/26/04/538502604.db2.gz	SXRLYSRSTMDSOK-RBUKOAKNSA-N	1	0	350.422	1.763	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NC[C@H](C3CC3)[NH+](C)C)C2)n1	ZINC000471790125	538539660	/nfs/dbraw/zinc/53/96/60/538539660.db2.gz	UVDGPYLMNSTNHG-QZTJIDSGSA-N	1	0	355.486	1.935	20	30		FDEDRO
N#CCCn1cc(C(=O)NCC[NH+]2CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000500838357	538567332	/nfs/dbraw/zinc/56/73/32/538567332.db2.gz	OVGHCZVPBWBMGK-UHFFFAOYSA-N	1	0	368.397	1.807	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1	ZINC000472089459	538576660	/nfs/dbraw/zinc/57/66/60/538576660.db2.gz	UHCUYADZKODDJL-CQSZACIVSA-N	1	0	373.501	1.351	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1cn[nH]c1	ZINC000494687643	538577558	/nfs/dbraw/zinc/57/75/58/538577558.db2.gz	FXABJRNQIFHPAH-HIFRSBDPSA-N	1	0	358.471	1.531	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)N(C)CCC#N	ZINC000487160299	538611889	/nfs/dbraw/zinc/61/18/89/538611889.db2.gz	XTFLGLQTRWVAKI-RDJZCZTQSA-N	1	0	350.488	1.577	20	30		FDEDRO
COCCOC[C@H]1CC[N@@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1	ZINC000462285023	538613635	/nfs/dbraw/zinc/61/36/35/538613635.db2.gz	FKPXPYNFLBQVIM-RDJZCZTQSA-N	1	0	357.410	1.175	20	30		FDEDRO
C=CCC[C@H](CO)NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000458708720	538636341	/nfs/dbraw/zinc/63/63/41/538636341.db2.gz	HSBVZVBXBXFGPJ-MOPGFXCFSA-N	1	0	361.486	1.904	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCCC[N@H+](C)C1CC1	ZINC000455608269	538679638	/nfs/dbraw/zinc/67/96/38/538679638.db2.gz	JPOOOEVSFFXOKU-HNNXBMFYSA-N	1	0	371.489	1.443	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C	ZINC000488215725	538725545	/nfs/dbraw/zinc/72/55/45/538725545.db2.gz	ITQMEIIJJRMQKM-JKSUJKDBSA-N	1	0	351.491	1.559	20	30		FDEDRO
N#Cc1ccc(N2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)nc1	ZINC000497488851	538763581	/nfs/dbraw/zinc/76/35/81/538763581.db2.gz	KBKCRSPOCWLDKX-UHFFFAOYSA-N	1	0	360.421	1.976	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000497671611	538779056	/nfs/dbraw/zinc/77/90/56/538779056.db2.gz	KIWPBLVRHFSYSD-MRXNPFEDSA-N	1	0	362.474	1.607	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CC[C@@H](C[NH+](C)C)C1	ZINC000484652473	538796085	/nfs/dbraw/zinc/79/60/85/538796085.db2.gz	JFPCPUZVYRWZOX-HNNXBMFYSA-N	1	0	353.430	1.863	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2ccc(C#N)c(F)c2)CC1	ZINC000489668447	538834285	/nfs/dbraw/zinc/83/42/85/538834285.db2.gz	QMUQQXHKFYVOGA-ZDUSSCGKSA-N	1	0	354.451	1.002	20	30		FDEDRO
Cn1ncc(C(=O)N2CCC[C@@H]([N@H+](C)Cc3ccccn3)CC2)c1C#N	ZINC000476013354	538853864	/nfs/dbraw/zinc/85/38/64/538853864.db2.gz	RWNFYQIXQGUYFT-MRXNPFEDSA-N	1	0	352.442	1.813	20	30		FDEDRO
CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000486511551	538866154	/nfs/dbraw/zinc/86/61/54/538866154.db2.gz	IEQIRCXVUYOYIT-MAUKXSAKSA-N	1	0	371.485	1.689	20	30		FDEDRO
C[C@H](C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)n1cnc(C#N)n1	ZINC000560760709	545597043	/nfs/dbraw/zinc/59/70/43/545597043.db2.gz	QMOZBOKOQUUEAT-UZLBHIALSA-N	1	0	364.453	1.835	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C	ZINC000561353220	545814598	/nfs/dbraw/zinc/81/45/98/545814598.db2.gz	CUIQTBPBHQHDGB-DLBZAZTESA-N	1	0	353.507	1.664	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1	ZINC000561488432	545872197	/nfs/dbraw/zinc/87/21/97/545872197.db2.gz	BAFRTVALHWMUON-KRWDZBQOSA-N	1	0	373.497	1.989	20	30		FDEDRO
C[C@H]1CN(CCOC2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)C[C@H](C)O1	ZINC000561979852	546000140	/nfs/dbraw/zinc/00/01/40/546000140.db2.gz	GZTZNKADKCMESD-IRXDYDNUSA-N	1	0	360.502	1.987	20	30		FDEDRO
N#Cc1csc(CN[C@H](Cc2ccccc2)C(=O)N2CCOCC2)n1	ZINC000562078670	546027866	/nfs/dbraw/zinc/02/78/66/546027866.db2.gz	RMPOEIKTCNASEF-MRXNPFEDSA-N	1	0	356.451	1.574	20	30		FDEDRO
C=C(C)Cn1c(CC2CC2)nnc1N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1	ZINC000562566625	546181837	/nfs/dbraw/zinc/18/18/37/546181837.db2.gz	YQUPLTMOBHRZJA-KRWDZBQOSA-N	1	0	372.517	1.597	20	30		FDEDRO
N#CCc1ccc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c(Cl)c1	ZINC000562765995	546258855	/nfs/dbraw/zinc/25/88/55/546258855.db2.gz	VNRPGQOROVWXPN-SFHVURJKSA-N	1	0	360.845	1.947	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC1([NH3+])CCCCCC1	ZINC000562812859	546279868	/nfs/dbraw/zinc/27/98/68/546279868.db2.gz	RLOSJOFXXYXGOZ-OAHLLOKOSA-N	1	0	371.489	1.620	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1	ZINC000562995937	546346970	/nfs/dbraw/zinc/34/69/70/546346970.db2.gz	MYMGMYIVLAWVNY-GJZGRUSLSA-N	1	0	368.428	1.663	20	30		FDEDRO
Cn1nccc1[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCO1	ZINC000562998342	546348167	/nfs/dbraw/zinc/34/81/67/546348167.db2.gz	GDYYBICBZMMVAM-MAUKXSAKSA-N	1	0	374.466	1.575	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1	ZINC000563013034	546354839	/nfs/dbraw/zinc/35/48/39/546354839.db2.gz	ZIASNCHUCYKKDX-REHHDOPLSA-N	1	0	374.481	1.571	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)cc1	ZINC000563108389	546409371	/nfs/dbraw/zinc/40/93/71/546409371.db2.gz	BYHBYTNKNTZRTM-UHFFFAOYSA-N	1	0	368.481	1.892	20	30		FDEDRO
CC1CC[NH+](C[C@@H](O)CNC[C@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000563140043	546422043	/nfs/dbraw/zinc/42/20/43/546422043.db2.gz	AZRQFNHUDKWOHH-OALUTQOASA-N	1	0	361.486	1.175	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]C[C@H]3C[C@H](O)CN3Cc3ccccc3)cnc12	ZINC000563149079	546425617	/nfs/dbraw/zinc/42/56/17/546425617.db2.gz	DQPMLRSHTUVJJU-MOPGFXCFSA-N	1	0	362.437	1.326	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCc3ccc(C#N)cc32)C[C@@H]1C	ZINC000563340515	546493961	/nfs/dbraw/zinc/49/39/61/546493961.db2.gz	CRTXAWUOXKXPLS-WMLDXEAASA-N	1	0	354.454	1.779	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NCC3=CC[NH2+]CC3)CC2)c(Cl)c1	ZINC000563603327	546609791	/nfs/dbraw/zinc/60/97/91/546609791.db2.gz	GDCFCCGQNOCPPU-UHFFFAOYSA-N	1	0	359.861	1.963	20	30		FDEDRO
CN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc(C#N)c1Br	ZINC000563633821	546624895	/nfs/dbraw/zinc/62/48/95/546624895.db2.gz	SFYNKEGOGXPVQJ-UHFFFAOYSA-N	1	0	367.247	1.669	20	30		FDEDRO
CC[NH2+]CCCNC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000563661104	546634425	/nfs/dbraw/zinc/63/44/25/546634425.db2.gz	RFDWVQIJEURWAV-UHFFFAOYSA-N	1	0	358.442	1.044	20	30		FDEDRO
C[C@@H]1CCC[C@](CNC(=O)C(=O)NCc2ccc(CC#N)cc2)([NH+](C)C)C1	ZINC000564450763	546917600	/nfs/dbraw/zinc/91/76/00/546917600.db2.gz	YWOFRYFUFFSBSZ-IERDGZPVSA-N	1	0	370.497	1.996	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)NCC[C@H]1CCC[NH2+]C1	ZINC000565303464	547298488	/nfs/dbraw/zinc/29/84/88/547298488.db2.gz	OAUBFPJWYKMDBP-LLVKDONJSA-N	1	0	372.288	1.989	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1	ZINC000566058598	547582960	/nfs/dbraw/zinc/58/29/60/547582960.db2.gz	KTERYQDAYDSLJP-DLBZAZTESA-N	1	0	354.458	1.173	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCNC(=O)CC2CCCC2)nc1	ZINC000566109946	547607771	/nfs/dbraw/zinc/60/77/71/547607771.db2.gz	UITLUFYLCZEBFF-UHFFFAOYSA-N	1	0	364.471	1.013	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1	ZINC000566109702	547607903	/nfs/dbraw/zinc/60/79/03/547607903.db2.gz	SOUUOPVMCARSKY-IBGZPJMESA-N	1	0	367.453	1.630	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CC[C@@H](C(=O)N(C)C)O1	ZINC000566113682	547609993	/nfs/dbraw/zinc/60/99/93/547609993.db2.gz	VKKXUFPZRZFEEX-LMMKCTJWSA-N	1	0	362.470	1.380	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1	ZINC000566113681	547610594	/nfs/dbraw/zinc/61/05/94/547610594.db2.gz	VKKXUFPZRZFEEX-AOIWGVFYSA-N	1	0	362.470	1.380	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1CCCN(C)[C@H]1c1cccs1	ZINC000566117041	547612176	/nfs/dbraw/zinc/61/21/76/547612176.db2.gz	RUUCQFHKKLSWOK-JFIYKMOQSA-N	1	0	350.532	1.927	20	30		FDEDRO
CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1cccc(C#N)n1)c1ccco1	ZINC000566195744	547653542	/nfs/dbraw/zinc/65/35/42/547653542.db2.gz	MEIVRHRRATVHRO-CQSZACIVSA-N	1	0	355.398	1.684	20	30		FDEDRO
C=CCn1c(C)cc(C(=O)CN2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1C	ZINC000566562132	547807789	/nfs/dbraw/zinc/80/77/89/547807789.db2.gz	IKAHELNCNCVUCV-SFHVURJKSA-N	1	0	372.513	1.617	20	30		FDEDRO
N#CC1(CCC[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)CCOCC1	ZINC000567021030	547965941	/nfs/dbraw/zinc/96/59/41/547965941.db2.gz	LQYNMUCTYZZMJJ-MRXNPFEDSA-N	1	0	369.531	1.881	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)CC1	ZINC000567188724	548026439	/nfs/dbraw/zinc/02/64/39/548026439.db2.gz	ZPIRNUFXLDSQLB-CVEARBPZSA-N	1	0	351.491	1.463	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1	ZINC000567378014	548097919	/nfs/dbraw/zinc/09/79/19/548097919.db2.gz	MKPDRCQIJROXGS-JLSDUUJJSA-N	1	0	352.429	1.506	20	30		FDEDRO
C[C@@H]1COCC[N@@H+]1C1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000567403010	548106460	/nfs/dbraw/zinc/10/64/60/548106460.db2.gz	DFFDKKMPQMDDNT-UZLBHIALSA-N	1	0	368.481	1.849	20	30		FDEDRO
C[NH+](C)[C@H]1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C[C@@H]1O	ZINC000567485548	548136504	/nfs/dbraw/zinc/13/65/04/548136504.db2.gz	JZKKELMMPPEPEV-IRXDYDNUSA-N	1	0	355.394	1.477	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NCc1ccc(CC#N)cc1	ZINC000567612652	548181991	/nfs/dbraw/zinc/18/19/91/548181991.db2.gz	ZTCLQKBCDQJOIM-UHFFFAOYSA-N	1	0	368.437	1.552	20	30		FDEDRO
COCCN1CCC[C@@H]1C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1	ZINC000567680314	548210077	/nfs/dbraw/zinc/21/00/77/548210077.db2.gz	VRSJTWDLIYDXOY-MRXNPFEDSA-N	1	0	351.472	1.032	20	30		FDEDRO
N#Cc1ccccc1OCC[N@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1	ZINC000567787061	548258170	/nfs/dbraw/zinc/25/81/70/548258170.db2.gz	IRUXFEDQKKKDEB-OAHLLOKOSA-N	1	0	363.483	1.731	20	30		FDEDRO
N#CCc1ccc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C[NH3+])C2=O)cc1	ZINC000567808374	548267395	/nfs/dbraw/zinc/26/73/95/548267395.db2.gz	OHUCGTJJVPVITP-LIRRHRJNSA-N	1	0	369.425	1.131	20	30		FDEDRO
Cc1ccc(C[C@H](CO)[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cc1	ZINC000567873081	548302012	/nfs/dbraw/zinc/30/20/12/548302012.db2.gz	MTCBKUKHGLMPNR-GOSISDBHSA-N	1	0	358.463	1.834	20	30		FDEDRO
CN(C)c1noc([C@H]2CCC[N@H+](C[C@H]3CNc4c(C#N)cnn4C3)C2)n1	ZINC000567889145	548310020	/nfs/dbraw/zinc/31/00/20/548310020.db2.gz	ZHWQEULBXMUVSR-OLZOCXBDSA-N	1	0	356.434	1.125	20	30		FDEDRO
Cn1cc(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)c(-c2ccc(C#N)cc2)n1	ZINC000568038663	548372663	/nfs/dbraw/zinc/37/26/63/548372663.db2.gz	HZPWXXOQKDOJIY-INIZCTEOSA-N	1	0	359.455	1.082	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCC[C@@H](C[NH3+])C3)C2=O)cc1	ZINC000568730899	548654256	/nfs/dbraw/zinc/65/42/56/548654256.db2.gz	SLQYZJDRIHTVHR-RDJZCZTQSA-N	1	0	355.442	1.434	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(C#N)cc2F)CCCO1	ZINC000569067312	548783562	/nfs/dbraw/zinc/78/35/62/548783562.db2.gz	XNRFPJNEROFPQP-ZDUSSCGKSA-N	1	0	355.435	1.477	20	30		FDEDRO
CN(C)c1noc([C@H]2CCC[N@H+](Cc3cnc4c(C#N)cnn4c3)C2)n1	ZINC000569363880	548892691	/nfs/dbraw/zinc/89/26/91/548892691.db2.gz	OIHWZPAQOSJANF-ZDUSSCGKSA-N	1	0	352.402	1.430	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1Br	ZINC000569457458	548925665	/nfs/dbraw/zinc/92/56/65/548925665.db2.gz	UUCFGTSLVHFMGO-VXGBXAGGSA-N	1	0	370.272	1.551	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1	ZINC000569575573	548966209	/nfs/dbraw/zinc/96/62/09/548966209.db2.gz	OQZIMHHCHYJTSO-GJZGRUSLSA-N	1	0	372.469	1.681	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1	ZINC000569809533	549056944	/nfs/dbraw/zinc/05/69/44/549056944.db2.gz	MVXCFQVDLYOURU-INIZCTEOSA-N	1	0	363.421	1.530	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)cc1	ZINC000570111554	549162384	/nfs/dbraw/zinc/16/23/84/549162384.db2.gz	ULCCJTAWSPSBIE-RLLQIKCJSA-N	1	0	360.454	1.402	20	30		FDEDRO
CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCN(c2cccc(C#N)n2)CC1	ZINC000570136442	549170676	/nfs/dbraw/zinc/17/06/76/549170676.db2.gz	VSNGAKOHZNQBAI-MRXNPFEDSA-N	1	0	358.490	1.905	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1	ZINC000570357351	549251504	/nfs/dbraw/zinc/25/15/04/549251504.db2.gz	NICJKIBBOGWFCY-ZACQAIPSSA-N	1	0	351.491	1.465	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2OC)[C@H](C)C1	ZINC000570560473	549325237	/nfs/dbraw/zinc/32/52/37/549325237.db2.gz	RHDXOGKPIPLFOJ-CZUORRHYSA-N	1	0	358.442	1.694	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CCC[NH2+]C1	ZINC000570786055	549409470	/nfs/dbraw/zinc/40/94/70/549409470.db2.gz	WSUOQPDSBYITPH-QFBILLFUSA-N	1	0	355.486	1.774	20	30		FDEDRO
Cc1ccc(NCCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)nc1	ZINC000570795493	549413182	/nfs/dbraw/zinc/41/31/82/549413182.db2.gz	VQAIRFOZWLYCJQ-UHFFFAOYSA-N	1	0	358.467	2.127	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)c(OC)c1	ZINC000570823759	549425810	/nfs/dbraw/zinc/42/58/10/549425810.db2.gz	MSDYDLBXVYFERT-SJORKVTESA-N	1	0	362.470	1.716	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1	ZINC000571261900	549582877	/nfs/dbraw/zinc/58/28/77/549582877.db2.gz	UTKWUBLRJYWETB-KSZLIROESA-N	1	0	350.507	1.530	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CNS(=O)(=O)CC2(C#N)CCC2)cc1	ZINC000571366553	549618579	/nfs/dbraw/zinc/61/85/79/549618579.db2.gz	WTNZTYSKRDMYQW-UHFFFAOYSA-N	1	0	351.472	1.740	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)NCc3ccc(CC#N)cc3)C2)CC1	ZINC000571437605	549645427	/nfs/dbraw/zinc/64/54/27/549645427.db2.gz	YKLCZPFCFUDOTJ-LJQANCHMSA-N	1	0	355.486	1.674	20	30		FDEDRO
N#CCC[C@H](NC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1	ZINC000571659638	549726138	/nfs/dbraw/zinc/72/61/38/549726138.db2.gz	OMDXKIFAZKBDEZ-FXAWDEMLSA-N	1	0	354.454	1.750	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@@H]2COc3ccccc32)CC1	ZINC000571888111	549792686	/nfs/dbraw/zinc/79/26/86/549792686.db2.gz	HZQHVRPWBJIZTP-YJBOKZPZSA-N	1	0	371.481	1.824	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1	ZINC000572025280	549826432	/nfs/dbraw/zinc/82/64/32/549826432.db2.gz	XVIGAHHPDWJSQM-UHFFFAOYSA-N	1	0	354.374	1.713	20	30		FDEDRO
CCNC(=O)c1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1	ZINC000572078392	549837100	/nfs/dbraw/zinc/83/71/00/549837100.db2.gz	YGMVTPVWJADZPH-UHFFFAOYSA-N	1	0	372.450	1.266	20	30		FDEDRO
CN1CCN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)[C@H](C[NH3+])C1	ZINC000572224145	549868228	/nfs/dbraw/zinc/86/82/28/549868228.db2.gz	YAYSAWPCQNIRJL-CYBMUJFWSA-N	1	0	371.363	1.606	20	30		FDEDRO
C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)cn2)C1	ZINC000572345957	549893931	/nfs/dbraw/zinc/89/39/31/549893931.db2.gz	ZJAVKFDAKDQBGW-PBHICJAKSA-N	1	0	363.421	1.843	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)n2)c(F)c1	ZINC000572734353	549983501	/nfs/dbraw/zinc/98/35/01/549983501.db2.gz	JSTCYBYLAUSZLC-ZFWWWQNUSA-N	1	0	354.389	2.099	20	30		FDEDRO
C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000572762033	549988974	/nfs/dbraw/zinc/98/89/74/549988974.db2.gz	SJEFNYFDASQGQU-DTWKUNHWSA-N	1	0	358.320	1.637	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1	ZINC000572971042	550035696	/nfs/dbraw/zinc/03/56/96/550035696.db2.gz	LSJZDWARHSUZJB-FQEVSTJZSA-N	1	0	370.453	1.143	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)[C@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000573334710	550114546	/nfs/dbraw/zinc/11/45/46/550114546.db2.gz	YPOQKFZPIJIUKV-KRWDZBQOSA-N	1	0	363.425	1.405	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCc2nc(-c3ccccn3)n[nH]2)CC1	ZINC000573422662	550133155	/nfs/dbraw/zinc/13/31/55/550133155.db2.gz	LCUHQLDFIQIJKI-UHFFFAOYSA-N	1	0	355.446	1.706	20	30		FDEDRO
CC(C)(CC[NH2+]C[C@H](O)COc1ccc(CC#N)cc1)S(C)(=O)=O	ZINC000573596406	550173345	/nfs/dbraw/zinc/17/33/45/550173345.db2.gz	MZLQEMVVJUKNMM-HNNXBMFYSA-N	1	0	354.472	1.295	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1	ZINC000573743598	550203762	/nfs/dbraw/zinc/20/37/62/550203762.db2.gz	OZWDIMRDFKOXLJ-KRWDZBQOSA-N	1	0	350.488	1.325	20	30		FDEDRO
N#Cc1ncn(CC[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)n1	ZINC000573834679	550219197	/nfs/dbraw/zinc/21/91/97/550219197.db2.gz	CGRADOJNIWECQQ-SNVBAGLBSA-N	1	0	356.213	1.486	20	30		FDEDRO
Cc1ccc([C@H](C[NH2+]C[C@H](O)CN(C)CCC#N)N2CCOCC2)cc1	ZINC000573901374	550228881	/nfs/dbraw/zinc/22/88/81/550228881.db2.gz	BHJMEAYLHTZCBU-PMACEKPBSA-N	1	0	360.502	1.164	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2[nH]nc3c2cccc3OC)c1C#N	ZINC000573960670	550238068	/nfs/dbraw/zinc/23/80/68/550238068.db2.gz	DGBCNEDCCCYPQF-UHFFFAOYSA-N	1	0	353.386	1.571	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)NCc1ccc(CC#N)cc1)c1ccccc1	ZINC000574201629	550274786	/nfs/dbraw/zinc/27/47/86/550274786.db2.gz	YAUVTKDKXPFWLW-IBGZPJMESA-N	1	0	364.449	1.788	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCN1CCN(c2ncccn2)CC1	ZINC000574282160	550288561	/nfs/dbraw/zinc/28/85/61/550288561.db2.gz	DSCSNLLYVBAEOG-IRXDYDNUSA-N	1	0	359.474	1.086	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)NCc2ccc(C#N)c(OC)c2)CC1	ZINC000574804663	550373082	/nfs/dbraw/zinc/37/30/82/550373082.db2.gz	OTUGRSPBHOCNRY-INIZCTEOSA-N	1	0	373.501	1.640	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1	ZINC000574913451	550391342	/nfs/dbraw/zinc/39/13/42/550391342.db2.gz	SIQXKXQILFKFDN-INIZCTEOSA-N	1	0	358.442	1.123	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)NC1CCC(N2CC[NH2+]CC2)CC1	ZINC000575355454	550457313	/nfs/dbraw/zinc/45/73/13/550457313.db2.gz	GMHUIVBJXAJFSE-UHFFFAOYSA-N	1	0	355.486	1.916	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)N[C@@H]3C[C@H]3C3CC[NH2+]CC3)CC2)c1	ZINC000576255660	550528739	/nfs/dbraw/zinc/52/87/39/550528739.db2.gz	NFIRRBONEOBRGB-DLBZAZTESA-N	1	0	354.458	1.173	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)NC[C@@H]([NH3+])c3ccccc3)CC2)c1C#N	ZINC000576492913	550555533	/nfs/dbraw/zinc/55/55/33/550555533.db2.gz	UNOSGBIQMPNSPK-MRXNPFEDSA-N	1	0	370.482	1.855	20	30		FDEDRO
C[C@@H](CCNC(=O)C(=O)N1CCC(C#N)CC1)[N@H+](C)Cc1ccccc1	ZINC000576547418	550560983	/nfs/dbraw/zinc/56/09/83/550560983.db2.gz	ICPXBDIBWSUDGP-INIZCTEOSA-N	1	0	356.470	1.775	20	30		FDEDRO
CC[NH+](CC)CCCCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1	ZINC000576585939	550565641	/nfs/dbraw/zinc/56/56/41/550565641.db2.gz	ISHNLWWOGGQUFM-UHFFFAOYSA-N	1	0	366.487	1.075	20	30		FDEDRO
CC[C@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)c1ccco1	ZINC000576772741	550584764	/nfs/dbraw/zinc/58/47/64/550584764.db2.gz	SPIBQOKVPACMKX-GXTWGEPZSA-N	1	0	355.398	1.730	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)NCC[C@H]3CCC[NH2+]3)C2=O)cc1	ZINC000577047915	550614247	/nfs/dbraw/zinc/61/42/47/550614247.db2.gz	WLMYLWXODPPCRE-SJORKVTESA-N	1	0	355.442	1.100	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](OC)C1)C(C)C	ZINC000577205405	550632061	/nfs/dbraw/zinc/63/20/61/550632061.db2.gz	CRUCVUUNXXZYKB-KURKYZTESA-N	1	0	365.518	1.685	20	30		FDEDRO
C[NH+]1CCN(C[C@H](NC(=O)N[C@@H]2CC[C@H](C#N)C2)c2ccccc2)CC1	ZINC000577505626	550664203	/nfs/dbraw/zinc/66/42/03/550664203.db2.gz	HXAPYZXJIBCBBV-UHOSZYNNSA-N	1	0	355.486	1.967	20	30		FDEDRO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H](O)CN(C)CCC#N	ZINC000577602693	550673851	/nfs/dbraw/zinc/67/38/51/550673851.db2.gz	JZYYXBBOJFJLAA-JYRKZWEQSA-N	1	0	358.530	1.939	20	30		FDEDRO
COc1cccc(OCCN2CCN(C(=O)NCC3(C#N)CC3)CC2)c1	ZINC000577616596	550675953	/nfs/dbraw/zinc/67/59/53/550675953.db2.gz	CWGWZQCZVZZBAJ-UHFFFAOYSA-N	1	0	358.442	1.705	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H](CO)c2ccc(F)cc2)c1	ZINC000577730727	550688704	/nfs/dbraw/zinc/68/87/04/550688704.db2.gz	VNIDKAYSEGSZFY-INIZCTEOSA-N	1	0	362.426	1.837	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)NCCC3=CC[NH2+]CC3)C2=O)cc1	ZINC000577831611	550698821	/nfs/dbraw/zinc/69/88/21/550698821.db2.gz	HKLGOZUEBXTFAX-SFHVURJKSA-N	1	0	367.453	1.663	20	30		FDEDRO
N#Cc1csc(C[NH2+]CCN2CCN(C(=O)C3CCCCC3)CC2)n1	ZINC000577989859	550716024	/nfs/dbraw/zinc/71/60/24/550716024.db2.gz	WSEROXJFEDKHBA-UHFFFAOYSA-N	1	0	361.515	1.829	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCC[C@](C)(O)C1)C(C)C	ZINC000578148788	550733134	/nfs/dbraw/zinc/73/31/34/550733134.db2.gz	ZELZPUHUKBECDN-LPHOPBHVSA-N	1	0	351.491	1.175	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C(C)C)C1)C(C)C	ZINC000578251859	550745069	/nfs/dbraw/zinc/74/50/69/550745069.db2.gz	SPQNQSPNLZVJJS-ZWKOTPCHSA-N	1	0	365.518	1.685	20	30		FDEDRO
C[C@@]1(n2cc(C[NH2+]Cc3ccc(CC#N)cc3)cn2)CCS(=O)(=O)C1	ZINC000578357556	550756215	/nfs/dbraw/zinc/75/62/15/550756215.db2.gz	DZRFNDWXEARDBK-GOSISDBHSA-N	1	0	358.467	1.773	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]CCc2cccc(C(N)=O)c2)cc1	ZINC000578639649	550785857	/nfs/dbraw/zinc/78/58/57/550785857.db2.gz	BAWUUPMYTRNGCY-SFHVURJKSA-N	1	0	353.422	1.424	20	30		FDEDRO
N#Cc1ccc(NCCCN2CC[NH+](Cc3ccccc3)CC2)nc1N	ZINC000578668641	550789050	/nfs/dbraw/zinc/78/90/50/550789050.db2.gz	JTXBIMDTXCCQLB-UHFFFAOYSA-N	1	0	350.470	2.155	20	30		FDEDRO
N#CCCC1CCN(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1	ZINC000578762565	550799131	/nfs/dbraw/zinc/79/91/31/550799131.db2.gz	VWHVUFIXPAIIEM-UHFFFAOYSA-N	1	0	363.506	1.704	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1	ZINC000578768339	550800102	/nfs/dbraw/zinc/80/01/02/550800102.db2.gz	UBHPXJQKPUCVIM-CJNGLKHVSA-N	1	0	353.426	1.367	20	30		FDEDRO
C=CCn1c(C2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000578820921	550804881	/nfs/dbraw/zinc/80/48/81/550804881.db2.gz	TZMRWKKKXRPYIO-KRWDZBQOSA-N	1	0	372.517	1.865	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N(C)C[C@@H]1CCC[N@@H+]1C	ZINC000578874965	550810881	/nfs/dbraw/zinc/81/08/81/550810881.db2.gz	HDHAMDSFQBPKFQ-HNNXBMFYSA-N	1	0	353.430	2.005	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCN(c3ccccc3)C2=O)cc1	ZINC000579228591	550849741	/nfs/dbraw/zinc/84/97/41/550849741.db2.gz	UJDWNNXVQFMQRA-AZUAARDMSA-N	1	0	365.433	1.887	20	30		FDEDRO
C[N@H+](CCNC(=O)C(=O)N1CCc2ccc(C#N)cc21)C1CCCCC1	ZINC000579259875	550853826	/nfs/dbraw/zinc/85/38/26/550853826.db2.gz	NDMHMOPZFPXTOT-UHFFFAOYSA-N	1	0	354.454	1.828	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000579465584	550876223	/nfs/dbraw/zinc/87/62/23/550876223.db2.gz	PBJFJNYRDRHKEC-ZCNNSNEGSA-N	1	0	372.513	1.865	20	30		FDEDRO
CC(=O)N1CCN(C(=O)[C@H](C)[N@H+](C)CCOCc2ccc(C#N)cc2)CC1	ZINC000579520892	550882399	/nfs/dbraw/zinc/88/23/99/550882399.db2.gz	MDSXTRHHBBZNQK-INIZCTEOSA-N	1	0	372.469	1.086	20	30		FDEDRO
CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)Nc3cccc(C#N)n3)C2)CC1	ZINC000579590212	550889766	/nfs/dbraw/zinc/88/97/66/550889766.db2.gz	QNSGGOKEMWZGNT-INIZCTEOSA-N	1	0	369.469	1.862	20	30		FDEDRO
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1	ZINC000579973849	550930020	/nfs/dbraw/zinc/93/00/20/550930020.db2.gz	OADYWMSXLQYGOC-HZSPNIEDSA-N	1	0	373.482	1.857	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(CC[NH3+])CC2)c1	ZINC000580722123	551011880	/nfs/dbraw/zinc/01/18/80/551011880.db2.gz	XNNGYJXLHNHLRL-UHFFFAOYSA-N	1	0	351.472	1.352	20	30		FDEDRO
C[C@](CO)(C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1	ZINC000580834316	551023795	/nfs/dbraw/zinc/02/37/95/551023795.db2.gz	NRBKQOOBWCGHRX-LJQANCHMSA-N	1	0	373.478	1.558	20	30		FDEDRO
CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)NCC2(C#N)CC2)cc1	ZINC000580929304	551033686	/nfs/dbraw/zinc/03/36/86/551033686.db2.gz	PTKHZDNVPKWWRY-UHFFFAOYSA-N	1	0	358.442	1.766	20	30		FDEDRO
Cn1nc2c(c1C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)CCCC2	ZINC000580948349	551036012	/nfs/dbraw/zinc/03/60/12/551036012.db2.gz	UJNNNAZKSZUUTF-MRXNPFEDSA-N	1	0	354.454	1.894	20	30		FDEDRO
Cn1cc([C@@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C2(CO)CCC2)cn1	ZINC000581407932	551085431	/nfs/dbraw/zinc/08/54/31/551085431.db2.gz	VDBGSKUJNHIROC-IEBWSBKVSA-N	1	0	370.453	1.525	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1	ZINC000581702065	551123971	/nfs/dbraw/zinc/12/39/71/551123971.db2.gz	PCMXEHFBFRTDLN-MRXNPFEDSA-N	1	0	367.457	2.251	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccsc2)N(C)C)ncc1C#N	ZINC000581734379	551129315	/nfs/dbraw/zinc/12/93/15/551129315.db2.gz	JEXURWNDHLDGIM-AWEZNQCLSA-N	1	0	357.439	1.681	20	30		FDEDRO
CN(C)[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1	ZINC000581751342	551131535	/nfs/dbraw/zinc/13/15/35/551131535.db2.gz	VGQVKDWJUHAXCE-QGZVFWFLSA-N	1	0	358.467	1.619	20	30		FDEDRO
C[C@H]1C[NH2+]CC[C@H]1NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000582409930	551220023	/nfs/dbraw/zinc/22/00/23/551220023.db2.gz	JDODAYCTDSCAOI-YJNKEBTESA-N	1	0	357.458	1.940	20	30		FDEDRO
C[NH+](C)CCOc1cnccc1CNS(=O)(=O)c1ccccc1C#N	ZINC000582493935	551232432	/nfs/dbraw/zinc/23/24/32/551232432.db2.gz	FKCXDEUPHBAQRL-UHFFFAOYSA-N	1	0	360.439	1.372	20	30		FDEDRO
Cc1ccccc1C[NH+]1CCC(NC(=O)COc2cnc(C#N)nc2)CC1	ZINC000582522358	551235710	/nfs/dbraw/zinc/23/57/10/551235710.db2.gz	INSRWFVIIMAAPR-UHFFFAOYSA-N	1	0	365.437	1.816	20	30		FDEDRO
CC1CC[NH+](C[C@H](O)CNCCS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000582666523	551254193	/nfs/dbraw/zinc/25/41/93/551254193.db2.gz	VFNIGSMNINTTKG-QGZVFWFLSA-N	1	0	365.499	1.014	20	30		FDEDRO
C[C@@H](C#N)CN(C)C(=O)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1	ZINC000582976288	551287425	/nfs/dbraw/zinc/28/74/25/551287425.db2.gz	OYAFZCBRYDFOEY-FUHWJXTLSA-N	1	0	356.470	1.380	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cn2)[C@H](C)C1	ZINC000583886178	551416343	/nfs/dbraw/zinc/41/63/43/551416343.db2.gz	AELBMDNJPRAELM-GDBMZVCRSA-N	1	0	373.457	1.145	20	30		FDEDRO
N#Cc1cccc(NC(=O)C2CCN(C(=O)NCC3=CC[NH2+]CC3)CC2)c1	ZINC000584043121	551438000	/nfs/dbraw/zinc/43/80/00/551438000.db2.gz	CJAOQCMQGHEEOQ-UHFFFAOYSA-N	1	0	367.453	1.838	20	30		FDEDRO
C[NH+](C)CCOc1cnccc1CNS(=O)(=O)Cc1cccc(C#N)c1	ZINC000584432313	551496391	/nfs/dbraw/zinc/49/63/91/551496391.db2.gz	AVFKWPHWKJASCH-UHFFFAOYSA-N	1	0	374.466	1.513	20	30		FDEDRO
C[NH+](C)CCn1ccc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)n1	ZINC000584477895	551503671	/nfs/dbraw/zinc/50/36/71/551503671.db2.gz	AJNLNZOISMJTDS-LJQANCHMSA-N	1	0	366.469	1.467	20	30		FDEDRO
CC(C)(CNC(=O)C(=O)NCc1ccc(CC#N)cc1)[NH+]1CCCCC1	ZINC000584528596	551512358	/nfs/dbraw/zinc/51/23/58/551512358.db2.gz	FJMBFJWUTTULIT-UHFFFAOYSA-N	1	0	356.470	1.750	20	30		FDEDRO
C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1	ZINC000585800895	551607009	/nfs/dbraw/zinc/60/70/09/551607009.db2.gz	RWCNTFSLPVBXQU-HBFSDRIKSA-N	1	0	357.454	1.426	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)C1	ZINC000586831612	551623669	/nfs/dbraw/zinc/62/36/69/551623669.db2.gz	VACKRSIZQDUGNU-NVXWUHKLSA-N	1	0	356.470	1.972	20	30		FDEDRO
CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1	ZINC000586859995	551626752	/nfs/dbraw/zinc/62/67/52/551626752.db2.gz	OOGRJAKUJYZJTJ-UHFFFAOYSA-N	1	0	374.460	1.892	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1cccc(C#N)c1	ZINC000587730435	551635056	/nfs/dbraw/zinc/63/50/56/551635056.db2.gz	NCHDEEFXZSVLTN-YJBOKZPZSA-N	1	0	354.454	1.822	20	30		FDEDRO
C=C(C)COc1cc(C[NH2+]CCNC(=O)c2cnccn2)ccc1OC	ZINC000588179540	551655450	/nfs/dbraw/zinc/65/54/50/551655450.db2.gz	KSTAEMNZKFZAMR-UHFFFAOYSA-N	1	0	356.426	1.960	20	30		FDEDRO
CC[N@@H+]1CCN(C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)C[C@@H]1C	ZINC000588293398	551664697	/nfs/dbraw/zinc/66/46/97/551664697.db2.gz	QMIPZCZFPSPXGS-UONOGXRCSA-N	1	0	364.471	1.930	20	30		FDEDRO
CN(C)S(=O)(=O)N1CCC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CC1	ZINC000589296740	551723714	/nfs/dbraw/zinc/72/37/14/551723714.db2.gz	GQXKVZNNLGEFKY-UHFFFAOYSA-N	1	0	364.515	1.802	20	30		FDEDRO
N#Cc1cccc(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)n1	ZINC000589369009	551726041	/nfs/dbraw/zinc/72/60/41/551726041.db2.gz	QOUXBVWCNRSNID-OAHLLOKOSA-N	1	0	363.421	1.903	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1	ZINC000589527472	551734965	/nfs/dbraw/zinc/73/49/65/551734965.db2.gz	CNNQNQHZQDDDDX-LJQANCHMSA-N	1	0	357.502	1.527	20	30		FDEDRO
C[NH+]1CCN(CCCCNS(=O)(=O)c2ccc(C#N)c(F)c2)CC1	ZINC000589886281	551749349	/nfs/dbraw/zinc/74/93/49/551749349.db2.gz	ZCBTUNVCATXOIB-UHFFFAOYSA-N	1	0	354.451	1.003	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)CC1	ZINC000589924461	551751710	/nfs/dbraw/zinc/75/17/10/551751710.db2.gz	CZZPDVLOJFSMRM-UHFFFAOYSA-N	1	0	368.485	1.802	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC3COCCOC3)CC2)cc1	ZINC000589940429	551753049	/nfs/dbraw/zinc/75/30/49/551753049.db2.gz	WTMROIFJLRNKGY-UHFFFAOYSA-N	1	0	358.442	1.191	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2OCCN(C[C@@H](O)COc3ccc(CC#N)cc3)[C@H]2C1	ZINC000590190473	551764145	/nfs/dbraw/zinc/76/41/45/551764145.db2.gz	FUJZYDBKXMRQHP-YZGWKJHDSA-N	1	0	359.470	1.287	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1	ZINC000590254519	551767656	/nfs/dbraw/zinc/76/76/56/551767656.db2.gz	JACLGESQBZUBOG-SFHVURJKSA-N	1	0	355.486	1.476	20	30		FDEDRO
CC(C)C[C@H](NC(=O)c1cc(C#N)ccn1)C(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000590397405	551779863	/nfs/dbraw/zinc/77/98/63/551779863.db2.gz	BNXMOZZJXKGILN-RDJZCZTQSA-N	1	0	357.458	1.260	20	30		FDEDRO
CC(C)C[C@H](NC(=O)c1sccc1C#N)C(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000590397926	551780007	/nfs/dbraw/zinc/78/00/07/551780007.db2.gz	JGKPTRPXNOWVGA-GJZGRUSLSA-N	1	0	362.499	1.927	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccn(-c2cccc(C#N)c2)n1	ZINC000590402398	551780767	/nfs/dbraw/zinc/78/07/67/551780767.db2.gz	STQUGOOZPWBUFW-RTBURBONSA-N	1	0	365.437	1.679	20	30		FDEDRO
CC(C)(CO)[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1cccnc1	ZINC000590600272	551796974	/nfs/dbraw/zinc/79/69/74/551796974.db2.gz	IRRRATRNZUADNK-IBGZPJMESA-N	1	0	352.438	1.919	20	30		FDEDRO
CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3ccc(C#N)c(F)c3)C2)CC1	ZINC000590806469	551818939	/nfs/dbraw/zinc/81/89/39/551818939.db2.gz	IIQPDAGWHVITDJ-MRXNPFEDSA-N	1	0	359.449	1.665	20	30		FDEDRO
C=CCNC(=O)CN1CCN(C(=O)[C@H](c2ccccc2)[NH+](CC)CC)CC1	ZINC000591067642	551840981	/nfs/dbraw/zinc/84/09/81/551840981.db2.gz	ZFYWVADWCMXEAN-FQEVSTJZSA-N	1	0	372.513	1.516	20	30		FDEDRO
N#Cc1cccc(C(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)n1	ZINC000591102181	551843628	/nfs/dbraw/zinc/84/36/28/551843628.db2.gz	SRTXYTBFMFWADO-UHFFFAOYSA-N	1	0	350.422	1.710	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)c1	ZINC000591292500	551857146	/nfs/dbraw/zinc/85/71/46/551857146.db2.gz	WVZLPTPRLKJMKP-LLVKDONJSA-N	1	0	352.341	1.356	20	30		FDEDRO
CCCC[C@H](C[NH3+])NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000591359786	551865892	/nfs/dbraw/zinc/86/58/92/551865892.db2.gz	MDHQTDXXKQAURG-CQSZACIVSA-N	1	0	360.462	1.773	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c(F)c1	ZINC000591388106	551867287	/nfs/dbraw/zinc/86/72/87/551867287.db2.gz	LRTKYGCWQHHVSQ-QGZVFWFLSA-N	1	0	358.417	1.304	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCN2Cc3ccccc3C2)cc1	ZINC000591728531	551904160	/nfs/dbraw/zinc/90/41/60/551904160.db2.gz	SGRPTTNCVDNNNX-UHFFFAOYSA-N	1	0	355.463	1.937	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+]C2CCN(CC#N)CC2)c(OC)c1	ZINC000591736423	551904863	/nfs/dbraw/zinc/90/48/63/551904863.db2.gz	SASUCMPEZUYGMT-SFHVURJKSA-N	1	0	359.470	1.741	20	30		FDEDRO
Cc1nc(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)sc1C	ZINC000591754686	551906178	/nfs/dbraw/zinc/90/61/78/551906178.db2.gz	QAFXYLIFZYUNCT-UHFFFAOYSA-N	1	0	350.469	1.633	20	30		FDEDRO
N#CC[C@]1(O)CCN(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C1	ZINC000591953591	551919942	/nfs/dbraw/zinc/91/99/42/551919942.db2.gz	CVIRUVAKEWSVTK-FQEVSTJZSA-N	1	0	372.469	1.203	20	30		FDEDRO
C[C@H](NC(=O)N1CC[C@@](O)(CC#N)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000592006278	551925570	/nfs/dbraw/zinc/92/55/70/551925570.db2.gz	LKLOPOZVXIIURB-QRFRQXIXSA-N	1	0	356.470	1.957	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1ccc(F)c(C#N)c1)CCO2	ZINC000592102888	551941884	/nfs/dbraw/zinc/94/18/84/551941884.db2.gz	BWOVVFKNDSJITL-UHFFFAOYSA-N	1	0	353.419	1.183	20	30		FDEDRO
CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2ccncc2C#N)CC1	ZINC000592121743	551945884	/nfs/dbraw/zinc/94/58/84/551945884.db2.gz	HVYKYMDHRBYRGC-CQSZACIVSA-N	1	0	350.488	1.835	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](C(=O)NCc2ccccc2)C1	ZINC000592156278	551951224	/nfs/dbraw/zinc/95/12/24/551951224.db2.gz	WLOHJTRLBMXJGY-SFHVURJKSA-N	1	0	367.453	1.281	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2)C1	ZINC000592155584	551951270	/nfs/dbraw/zinc/95/12/70/551951270.db2.gz	PQZXKPLGURDBMH-SJLPKXTDSA-N	1	0	356.470	1.633	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](C(=O)NCc2ccccc2)C1	ZINC000592156244	551951351	/nfs/dbraw/zinc/95/13/51/551951351.db2.gz	VNXXLSHXSHQLJY-PXNSSMCTSA-N	1	0	356.470	1.679	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN(CC(=O)Nc1cc(Cl)ccc1C#N)CCO2	ZINC000592182727	551954747	/nfs/dbraw/zinc/95/47/47/551954747.db2.gz	QQERDMPOJLLBSR-UHFFFAOYSA-N	1	0	362.861	1.947	20	30		FDEDRO
N#CC[C@@]1(O)CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1	ZINC000592304615	551976162	/nfs/dbraw/zinc/97/61/62/551976162.db2.gz	PZVKHIHTQSDURB-HXUWFJFHSA-N	1	0	370.453	1.140	20	30		FDEDRO
CC1([NH3+])CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1	ZINC000592380328	551986011	/nfs/dbraw/zinc/98/60/11/551986011.db2.gz	RUNYLDACLAQPJP-UHFFFAOYSA-N	1	0	358.261	1.823	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1	ZINC000592381610	551986298	/nfs/dbraw/zinc/98/62/98/551986298.db2.gz	YVIIWOFWOSDSBS-GXFFZTMASA-N	1	0	370.272	1.693	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)cc1	ZINC000592429188	551994197	/nfs/dbraw/zinc/99/41/97/551994197.db2.gz	BLFDGWKOJSHBKB-PKOBYXMFSA-N	1	0	358.413	1.878	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]CC3(CN4CCOCC4)CCCCC3)cnc12	ZINC000592503959	552002971	/nfs/dbraw/zinc/00/29/71/552002971.db2.gz	MGPWRESCDKQFHS-UHFFFAOYSA-N	1	0	368.485	1.973	20	30		FDEDRO
CC[C@@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)C(=O)NCc1cccs1	ZINC000592525516	552004838	/nfs/dbraw/zinc/00/48/38/552004838.db2.gz	PDGXONUOWWHUDF-OAHLLOKOSA-N	1	0	354.439	1.847	20	30		FDEDRO
CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[C@](O)(CC#N)C3)cc2)CC1	ZINC000592843788	552035071	/nfs/dbraw/zinc/03/50/71/552035071.db2.gz	UNNPYTASPMXLCT-HXUWFJFHSA-N	1	0	356.470	1.708	20	30		FDEDRO
C[NH+](C)CCN1CCN(Cc2ccc(C#N)cc2Br)CC1=O	ZINC000593053063	552056545	/nfs/dbraw/zinc/05/65/45/552056545.db2.gz	WDUMCDNRVLLMRX-UHFFFAOYSA-N	1	0	365.275	1.527	20	30		FDEDRO
CCOC(=O)[C@H]1NC(=O)N(C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1=O	ZINC000593230818	552075058	/nfs/dbraw/zinc/07/50/58/552075058.db2.gz	FZJZBGSTAXLFOI-INIZCTEOSA-N	1	0	370.409	1.006	20	30		FDEDRO
C[C@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)n1cnc(C#N)n1	ZINC000593350259	552094330	/nfs/dbraw/zinc/09/43/30/552094330.db2.gz	CVDBPLXMGZFNNW-CQSZACIVSA-N	1	0	363.425	1.363	20	30		FDEDRO
Cn1c(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cccc1=O	ZINC000593352272	552094801	/nfs/dbraw/zinc/09/48/01/552094801.db2.gz	XRBXAHTUBUEGCO-UHFFFAOYSA-N	1	0	350.422	1.651	20	30		FDEDRO
C[C@@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ncn(C)n1	ZINC000593394544	552101432	/nfs/dbraw/zinc/10/14/32/552101432.db2.gz	PVIMPLZFRMWFQZ-CQSZACIVSA-N	1	0	367.457	1.712	20	30		FDEDRO
C[NH+]1CCN(CCNC(=O)Cc2ccc(Br)cc2C#N)CC1	ZINC000593394072	552101629	/nfs/dbraw/zinc/10/16/29/552101629.db2.gz	KMADOXMQKZACRE-UHFFFAOYSA-N	1	0	365.275	1.227	20	30		FDEDRO
CC(C)C[N@H+](C)CCCNC(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000593422966	552106197	/nfs/dbraw/zinc/10/61/97/552106197.db2.gz	OZRXTONPTYGPRU-UHFFFAOYSA-N	1	0	358.490	1.763	20	30		FDEDRO
CC(C)(C)[C@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C(N)=O	ZINC000593513041	552119935	/nfs/dbraw/zinc/11/99/35/552119935.db2.gz	DDQHMXKMOFPSJB-QGZVFWFLSA-N	1	0	371.485	1.722	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3C[C@H]4[C@H](CO)[C@H]4C3)CC2)c1	ZINC000593516870	552121163	/nfs/dbraw/zinc/12/11/63/552121163.db2.gz	OHDCBTJVTMMINR-BWTSREIZSA-N	1	0	354.454	1.402	20	30		FDEDRO
C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC(=O)N1	ZINC000593518903	552121631	/nfs/dbraw/zinc/12/16/31/552121631.db2.gz	XVVYCOSPHHGLBL-CQSZACIVSA-N	1	0	355.442	1.053	20	30		FDEDRO
CC(C)(C#N)c1ccc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1	ZINC000593549873	552130101	/nfs/dbraw/zinc/13/01/01/552130101.db2.gz	LVGSKAVCLJSSPI-MRXNPFEDSA-N	1	0	365.499	1.613	20	30		FDEDRO
COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccsc1C#N	ZINC000593598652	552147923	/nfs/dbraw/zinc/14/79/23/552147923.db2.gz	PSGGJLLTBNYMCS-UHFFFAOYSA-N	1	0	357.501	1.741	20	30		FDEDRO
N#Cc1c2c(sc1NC(=O)CCN1CC[N@@H+]3C[C@H](O)C[C@H]3C1)CCC2	ZINC000594027975	552241439	/nfs/dbraw/zinc/24/14/39/552241439.db2.gz	XJKIZWBGGJNOFB-QWHCGFSZSA-N	1	0	360.483	1.188	20	30		FDEDRO
CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCC2)C1	ZINC000594031612	552242059	/nfs/dbraw/zinc/24/20/59/552242059.db2.gz	JNRLZSZGRFNMRR-GOSISDBHSA-N	1	0	354.454	1.654	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC000594285904	552278326	/nfs/dbraw/zinc/27/83/26/552278326.db2.gz	NQJLZUPYBQRNCH-MAUKXSAKSA-N	1	0	356.470	1.440	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H](Cc1ccccc1Cl)C(N)=O	ZINC000594433934	552309110	/nfs/dbraw/zinc/30/91/10/552309110.db2.gz	IYNMFVPPTHAWPD-DZGCQCFKSA-N	1	0	350.850	1.511	20	30		FDEDRO
COc1cc(CN2CC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)C2)cc(OC)c1	ZINC000594439548	552310189	/nfs/dbraw/zinc/31/01/89/552310189.db2.gz	RREBNJDNZVGORB-QFBILLFUSA-N	1	0	374.485	1.806	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)NCCN1CCN(c2ccc(F)cc2)CC1	ZINC000594439185	552310685	/nfs/dbraw/zinc/31/06/85/552310685.db2.gz	PHWPYPNMLDAKIC-GOSISDBHSA-N	1	0	361.465	1.475	20	30		FDEDRO
CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)[C@@H]([NH3+])CCCCC#N	ZINC000594446693	552312232	/nfs/dbraw/zinc/31/22/32/552312232.db2.gz	RLHDJPBYBFVPJG-ZBFHGGJFSA-N	1	0	351.472	1.766	20	30		FDEDRO
C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)[C@H]([NH3+])CCCCC#N	ZINC000594455614	552314294	/nfs/dbraw/zinc/31/42/94/552314294.db2.gz	ADDKTEDVYQVSJK-GOEBONIOSA-N	1	0	366.487	1.271	20	30		FDEDRO
C[C@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)N1C[C@@H](C)O[C@@H](C)C1	ZINC000594472126	552318745	/nfs/dbraw/zinc/31/87/45/552318745.db2.gz	WXJLOOXTUZCZRN-UPJWGTAASA-N	1	0	371.890	1.988	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N[C@@H](C[NH3+])C(F)(F)F)CC2)nc1	ZINC000594525868	552327710	/nfs/dbraw/zinc/32/77/10/552327710.db2.gz	XJTHJINORKTHMC-LBPRGKRZSA-N	1	0	356.352	1.111	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC2)c(F)c1	ZINC000594524892	552327783	/nfs/dbraw/zinc/32/77/83/552327783.db2.gz	MRQYSIPVEVLYBM-ZDUSSCGKSA-N	1	0	359.327	1.419	20	30		FDEDRO
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1	ZINC000594621631	552343132	/nfs/dbraw/zinc/34/31/32/552343132.db2.gz	MOXHPKSNYAUXEP-KDURUIRLSA-N	1	0	370.497	1.999	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000594625529	552344620	/nfs/dbraw/zinc/34/46/20/552344620.db2.gz	KJAZDQRJGJXKTA-ZWKOTPCHSA-N	1	0	354.454	1.650	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1	ZINC000594790530	552386119	/nfs/dbraw/zinc/38/61/19/552386119.db2.gz	MIAWIMGEXWCINQ-CQSZACIVSA-N	1	0	351.472	1.966	20	30		FDEDRO
CN(CCC[NH+](C)C)CCNS(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000594821235	552398506	/nfs/dbraw/zinc/39/85/06/552398506.db2.gz	LKBUGWJNYPZVHS-UHFFFAOYSA-N	1	0	358.895	1.373	20	30		FDEDRO
C[C@@H](CCNS(=O)(=O)c1cc(Br)ccc1C#N)[NH+](C)C	ZINC000594822730	552399212	/nfs/dbraw/zinc/39/92/12/552399212.db2.gz	ZZXLTLGRNAEPET-JTQLQIEISA-N	1	0	360.277	1.939	20	30		FDEDRO
CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1	ZINC000594953922	552426500	/nfs/dbraw/zinc/42/65/00/552426500.db2.gz	JVDVQUWDBMHWES-QGZVFWFLSA-N	1	0	362.499	1.602	20	30		FDEDRO
CCN(C(=O)C(=O)Nc1cccc(OCCCC#N)c1)[C@H]1CC[N@H+](C)C1	ZINC000595102483	552451022	/nfs/dbraw/zinc/45/10/22/552451022.db2.gz	ISWOVIFOJPLWFJ-INIZCTEOSA-N	1	0	358.442	1.860	20	30		FDEDRO
C[C@@]1(C#N)CCN(C(=O)C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)C1	ZINC000595131977	552461826	/nfs/dbraw/zinc/46/18/26/552461826.db2.gz	ODOXZARGOYYLKL-FQEVSTJZSA-N	1	0	360.502	1.863	20	30		FDEDRO
C[C@]1(C#N)CCN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1	ZINC000595153779	552469531	/nfs/dbraw/zinc/46/95/31/552469531.db2.gz	PAFSVPBLQXDAKC-YLJYHZDGSA-N	1	0	360.502	1.863	20	30		FDEDRO
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CC3CC2(C[NH3+])C3)n1	ZINC000595231348	552499467	/nfs/dbraw/zinc/49/94/67/552499467.db2.gz	QIVUFTMDUYKMKM-UHFFFAOYSA-N	1	0	356.817	2.352	20	30		FDEDRO
C[C@@]1(C#N)CCN(C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)C1	ZINC000595236762	552501598	/nfs/dbraw/zinc/50/15/98/552501598.db2.gz	MYUKTQCANJQVHO-IBGZPJMESA-N	1	0	357.458	1.738	20	30		FDEDRO
N#Cc1sccc1N1CCN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)CC1	ZINC000595240060	552502256	/nfs/dbraw/zinc/50/22/56/552502256.db2.gz	MCHLCXNYNZYSMD-UHFFFAOYSA-N	1	0	369.450	1.366	20	30		FDEDRO
C[C@]1(C#N)CCCN(C(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C1	ZINC000595239691	552502480	/nfs/dbraw/zinc/50/24/80/552502480.db2.gz	XIFRBKFEFISZCH-VQIMIIECSA-N	1	0	356.426	1.438	20	30		FDEDRO
N#Cc1ccc(CCNC(=O)C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)cc1	ZINC000595240865	552502852	/nfs/dbraw/zinc/50/28/52/552502852.db2.gz	WFWCJVOFPOTKOG-UHFFFAOYSA-N	1	0	366.396	1.640	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)c1	ZINC000595253523	552505539	/nfs/dbraw/zinc/50/55/39/552505539.db2.gz	XQNVYHAZLPEZKP-UHFFFAOYSA-N	1	0	350.325	1.048	20	30		FDEDRO
CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000595264182	552507756	/nfs/dbraw/zinc/50/77/56/552507756.db2.gz	KYCURMZQVXDATJ-SJORKVTESA-N	1	0	357.458	1.726	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)c1cccc(C#N)c1	ZINC000595279394	552511147	/nfs/dbraw/zinc/51/11/47/552511147.db2.gz	KWHGOHKOVOWXMP-DNVCBOLYSA-N	1	0	368.481	1.974	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1	ZINC000595283494	552511502	/nfs/dbraw/zinc/51/15/02/552511502.db2.gz	JDQGJULOOFSTFB-JKSUJKDBSA-N	1	0	369.531	1.157	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1	ZINC000595283591	552511596	/nfs/dbraw/zinc/51/15/96/552511596.db2.gz	KLLXXERQQJFNOD-MRXNPFEDSA-N	1	0	353.532	1.650	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(F)c1	ZINC000595384400	552543992	/nfs/dbraw/zinc/54/39/92/552543992.db2.gz	KLYNWPQDLZRVMR-MRXNPFEDSA-N	1	0	367.446	1.058	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CCO1	ZINC000595403351	552551273	/nfs/dbraw/zinc/55/12/73/552551273.db2.gz	CPMRNRYAINQXQB-CQSZACIVSA-N	1	0	371.890	1.943	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2F)CCO1	ZINC000595405530	552551912	/nfs/dbraw/zinc/55/19/12/552551912.db2.gz	XWVPKMKVUVTDRH-INIZCTEOSA-N	1	0	369.462	1.570	20	30		FDEDRO
CC(C)[C@H]1CN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC[NH2+]1	ZINC000595413485	552554873	/nfs/dbraw/zinc/55/48/73/552554873.db2.gz	SMIZDLTUMITRDE-CQSZACIVSA-N	1	0	372.288	1.939	20	30		FDEDRO
CC(C)C[NH2+]C1(CO)CCN([C@H](C)C(=O)Nc2ccccc2C#N)CC1	ZINC000595511043	552576129	/nfs/dbraw/zinc/57/61/29/552576129.db2.gz	HGKCQDOEEKHQIR-MRXNPFEDSA-N	1	0	358.486	1.958	20	30		FDEDRO
N#CC1(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CCCCC1	ZINC000595548086	552582123	/nfs/dbraw/zinc/58/21/23/552582123.db2.gz	AAYFANFYGRAVOY-KRWDZBQOSA-N	1	0	363.506	1.166	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H](CO)C1CCC1	ZINC000595614585	552593191	/nfs/dbraw/zinc/59/31/91/552593191.db2.gz	DTBDWFGGVSALIG-QGZVFWFLSA-N	1	0	362.474	1.702	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@@H]4NC(=O)CC[C@@H]4C3)C2=O)cc1	ZINC000595728136	552607390	/nfs/dbraw/zinc/60/73/90/552607390.db2.gz	JWAMALKEVAGSCI-NJAFHUGGSA-N	1	0	352.438	1.654	20	30		FDEDRO
C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCN(c2cccc(C#N)n2)CC1	ZINC000595789107	552615483	/nfs/dbraw/zinc/61/54/83/552615483.db2.gz	VRLBTQZMWGUYBC-QGZVFWFLSA-N	1	0	370.501	1.905	20	30		FDEDRO
CC(C)NC(=O)[C@@H]1CCCN([C@@H]2CCN(c3sccc3C#N)C2=O)C1	ZINC000595851885	552623716	/nfs/dbraw/zinc/62/37/16/552623716.db2.gz	WHOIZTQEISDDJA-HUUCEWRRSA-N	1	0	360.483	1.962	20	30		FDEDRO
Cc1oc(NC(=O)[C@H](C)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(C#N)c1C	ZINC000595864947	552625429	/nfs/dbraw/zinc/62/54/29/552625429.db2.gz	XULPCDYJSZGBOI-XJKSGUPXSA-N	1	0	360.458	1.626	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1	ZINC000595907794	552631766	/nfs/dbraw/zinc/63/17/66/552631766.db2.gz	YLRKDEFAKDTMHM-RTBURBONSA-N	1	0	356.470	1.706	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CCN(C(=O)C[C@@H]4CCC[NH2+]4)CC3)n[nH]2)cc1	ZINC000595972135	552640369	/nfs/dbraw/zinc/64/03/69/552640369.db2.gz	UFEAJJUYOXFLQO-KRWDZBQOSA-N	1	0	364.453	1.739	20	30		FDEDRO
N#Cc1cc(F)c(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1Br	ZINC000596014090	552644512	/nfs/dbraw/zinc/64/45/12/552644512.db2.gz	MSUQRXXWDMMJSM-BXKDBHETSA-N	1	0	353.195	1.208	20	30		FDEDRO
COc1cc(CNC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ccc1C#N	ZINC000596604822	552693787	/nfs/dbraw/zinc/69/37/87/552693787.db2.gz	LFCYIOYPXDRZIA-QGZVFWFLSA-N	1	0	358.442	1.307	20	30		FDEDRO
Cn1cc(CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nn1	ZINC000596693501	552702561	/nfs/dbraw/zinc/70/25/61/552702561.db2.gz	HTIIDGBIXGBLJV-UHFFFAOYSA-N	1	0	352.442	1.354	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CN1CCN(C2CC2)C1=O	ZINC000596828455	552715068	/nfs/dbraw/zinc/71/50/68/552715068.db2.gz	KAIFIEVDUSTMDJ-UHFFFAOYSA-N	1	0	369.469	1.348	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@H]2CCC(=O)N(c3cccc(F)c3)C2)CC1	ZINC000597167782	552756678	/nfs/dbraw/zinc/75/66/78/552756678.db2.gz	ZCTQQCKZFPUNOO-AWEZNQCLSA-N	1	0	358.417	1.673	20	30		FDEDRO
COc1ccc(N2C[C@H]([NH2+]Cc3cnc4c(C#N)cnn4c3)CC2=O)cc1	ZINC000597194163	552759615	/nfs/dbraw/zinc/75/96/15/552759615.db2.gz	ZGGJNOZOMXEWIU-OAHLLOKOSA-N	1	0	362.393	1.505	20	30		FDEDRO
CN(C)CC[NH+]1CCC(CNC(=O)c2cc(F)c(C#N)c(F)c2)CC1	ZINC000597226641	552763060	/nfs/dbraw/zinc/76/30/60/552763060.db2.gz	VBUKEXNPVYFXPB-UHFFFAOYSA-N	1	0	350.413	1.840	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000597250588	552765495	/nfs/dbraw/zinc/76/54/95/552765495.db2.gz	HEQDYFVEMLKHKS-UHFFFAOYSA-N	1	0	369.531	1.173	20	30		FDEDRO
N#CCC1(CNC(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC1	ZINC000597432258	552788259	/nfs/dbraw/zinc/78/82/59/552788259.db2.gz	DDJWRLKZZBACKT-OAHLLOKOSA-N	1	0	371.489	1.402	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@@]1(NC(=O)[C@@H](C)C#N)CC[N@H+](Cc2ccccc2)C1	ZINC000597621823	552813002	/nfs/dbraw/zinc/81/30/02/552813002.db2.gz	NBQAMLTZUVZGPN-GUXCAODWSA-N	1	0	367.453	1.183	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)n1	ZINC000597641772	552816533	/nfs/dbraw/zinc/81/65/33/552816533.db2.gz	AWSREENNSHFHLV-KRWDZBQOSA-N	1	0	352.442	1.221	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cc1Br	ZINC000598723400	552928276	/nfs/dbraw/zinc/92/82/76/552928276.db2.gz	GXCRPTBJGSTVPL-FZMZJTMJSA-N	1	0	370.272	1.823	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1	ZINC000598731307	552928773	/nfs/dbraw/zinc/92/87/73/552928773.db2.gz	JTHVZSZJQLPZOG-YLJYHZDGSA-N	1	0	354.454	1.637	20	30		FDEDRO
CCC1([NH+]2CCOCC2)CCN(C(=O)NC2CCN(CC#N)CC2)CC1	ZINC000598984522	552953978	/nfs/dbraw/zinc/95/39/78/552953978.db2.gz	OMLIBNLOWLQIEW-UHFFFAOYSA-N	1	0	363.506	1.261	20	30		FDEDRO
C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CCc2c(CC#N)cccc2C1	ZINC000599032245	552960355	/nfs/dbraw/zinc/96/03/55/552960355.db2.gz	JLKVJJVYFRGCBD-KRWDZBQOSA-N	1	0	369.513	1.846	20	30		FDEDRO
CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)Cc1ccc(C#N)nc1	ZINC000599165922	552977428	/nfs/dbraw/zinc/97/74/28/552977428.db2.gz	WAZWYJGNKQEEOE-GOSISDBHSA-N	1	0	372.469	1.762	20	30		FDEDRO
COc1ccccc1CN1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1	ZINC000599280805	553013654	/nfs/dbraw/zinc/01/36/54/553013654.db2.gz	MPCXYCVLKJEHIK-IBGZPJMESA-N	1	0	373.497	1.884	20	30		FDEDRO
COc1ccccc1C[N@H+](CCO)C[C@H](O)COc1ccccc1C#N	ZINC000599283629	553014702	/nfs/dbraw/zinc/01/47/02/553014702.db2.gz	AVZPSJWMLOJOFA-SFHVURJKSA-N	1	0	356.422	1.801	20	30		FDEDRO
COC(=O)CN(CC#CCN1C(=O)c2ccccc2C1=O)C1CCCC1	ZINC000599310607	553023069	/nfs/dbraw/zinc/02/30/69/553023069.db2.gz	XDNBUUQCFSVBIF-UHFFFAOYSA-N	1	0	354.406	1.704	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)CCOCC1	ZINC000599346224	553033091	/nfs/dbraw/zinc/03/30/91/553033091.db2.gz	BGKPKKZTYRRQIE-PMACEKPBSA-N	1	0	373.497	1.721	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)CCOCC1	ZINC000599396081	553044865	/nfs/dbraw/zinc/04/48/65/553044865.db2.gz	PHGQZMCGBYWUFT-ROUUACIJSA-N	1	0	351.491	1.244	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C	ZINC000599442209	553058153	/nfs/dbraw/zinc/05/81/53/553058153.db2.gz	QOAYTZHVDXTHEC-SJLPKXTDSA-N	1	0	364.515	1.967	20	30		FDEDRO
N#Cc1cccc(OCCC[NH+]2CCC(n3cc(C(N)=O)nn3)CC2)c1	ZINC000599574816	553092753	/nfs/dbraw/zinc/09/27/53/553092753.db2.gz	CPHZMWKZPUGJAA-UHFFFAOYSA-N	1	0	354.414	1.355	20	30		FDEDRO
C[NH2+]CCOCCNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	ZINC000599606656	553101828	/nfs/dbraw/zinc/10/18/28/553101828.db2.gz	QDWAXYZZDPVURY-UHFFFAOYSA-N	1	0	373.457	1.627	20	30		FDEDRO
N#Cc1ccc(C2([NH2+]CC(=O)N3CCOC[C@H]3C3CC3)CCOCC2)cc1	ZINC000599633693	553109022	/nfs/dbraw/zinc/10/90/22/553109022.db2.gz	FPYCDDNJWVIZTO-IBGZPJMESA-N	1	0	369.465	1.791	20	30		FDEDRO
CNS(=O)(=O)C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1	ZINC000599692992	553123031	/nfs/dbraw/zinc/12/30/31/553123031.db2.gz	MOIBFWGFGFWTCH-OAHLLOKOSA-N	1	0	364.471	1.148	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[NH2+]C[C@H]1C(C)C	ZINC000599890622	553168854	/nfs/dbraw/zinc/16/88/54/553168854.db2.gz	SKUKYZHWTMBIOC-INIZCTEOSA-N	1	0	358.442	1.740	20	30		FDEDRO
C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)C[NH2+]1	ZINC000599896220	553170248	/nfs/dbraw/zinc/17/02/48/553170248.db2.gz	NPRIMTPLWUQEFC-BXUZGUMPSA-N	1	0	369.450	1.877	20	30		FDEDRO
C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C[NH2+]1	ZINC000599896274	553170360	/nfs/dbraw/zinc/17/03/60/553170360.db2.gz	OSEJGQGYAJXTBS-SKDRFNHKSA-N	1	0	365.231	1.516	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1	ZINC000599899152	553170936	/nfs/dbraw/zinc/17/09/36/553170936.db2.gz	IVINMWHOQJCDLT-DGCLKSJQSA-N	1	0	354.332	1.482	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1	ZINC000599900999	553171344	/nfs/dbraw/zinc/17/13/44/553171344.db2.gz	WOSBNUUHKVVZGH-STQMWFEESA-N	1	0	368.359	1.791	20	30		FDEDRO
N#Cc1ccc(OC2CCC(NC(=O)NCC3([NH3+])CCOCC3)CC2)nc1	ZINC000599921263	553174330	/nfs/dbraw/zinc/17/43/30/553174330.db2.gz	QBIBUIOQCRSUOD-UHFFFAOYSA-N	1	0	373.457	1.450	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)c(F)cc1C#N	ZINC000599933687	553176753	/nfs/dbraw/zinc/17/67/53/553176753.db2.gz	IJSVCULYRYADNB-UHFFFAOYSA-N	1	0	362.405	1.635	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NCC2(C)CC[NH+](C)CC2)c(F)cc1C#N	ZINC000599966223	553188109	/nfs/dbraw/zinc/18/81/09/553188109.db2.gz	WYAQSQBGDFUUHN-UHFFFAOYSA-N	1	0	362.405	1.493	20	30		FDEDRO
CCC1([NH+]2CCOCC2)CCN(Cc2cnc3c(C#N)cnn3c2)CC1	ZINC000600208619	553230649	/nfs/dbraw/zinc/23/06/49/553230649.db2.gz	OXFCAEBSMFLIJA-UHFFFAOYSA-N	1	0	354.458	1.678	20	30		FDEDRO
N#Cc1ccccc1OCc1cccc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)c1	ZINC000600530363	553281141	/nfs/dbraw/zinc/28/11/41/553281141.db2.gz	DAULQZHYCOBGJJ-LJQANCHMSA-N	1	0	365.433	1.934	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]CC(=O)N2CCCc3ccccc32)CCOCC1	ZINC000600719365	553306641	/nfs/dbraw/zinc/30/66/41/553306641.db2.gz	DMDSFGCWDWDFER-KRWDZBQOSA-N	1	0	357.454	1.627	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)CC1	ZINC000600735008	553308638	/nfs/dbraw/zinc/30/86/38/553308638.db2.gz	LVYAOQLCUJCPLN-CQSZACIVSA-N	1	0	367.446	1.510	20	30		FDEDRO
COC(=O)c1ccsc1N1CC[C@H]([NH2+]C[C@H](O)CC2(C#N)CC2)C1=O	ZINC000600731653	553308641	/nfs/dbraw/zinc/30/86/41/553308641.db2.gz	XMXJAAJOZCRASG-YPMHNXCESA-N	1	0	363.439	1.284	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F	ZINC000600740852	553309739	/nfs/dbraw/zinc/30/97/39/553309739.db2.gz	KTQZFHNVXPEILS-GOEBONIOSA-N	1	0	373.375	1.151	20	30		FDEDRO
CC1(C)Oc2ccsc2[C@@H]([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)[C@@H]1O	ZINC000600750437	553310837	/nfs/dbraw/zinc/31/08/37/553310837.db2.gz	WJFBKFXOEMHNDR-BJJXKVORSA-N	1	0	366.483	1.982	20	30		FDEDRO
COC(=O)c1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n(C)n1	ZINC000600999883	553337927	/nfs/dbraw/zinc/33/79/27/553337927.db2.gz	JLKCHDGOJFQYFX-UHFFFAOYSA-N	1	0	369.425	1.282	20	30		FDEDRO
CO[C@@H]1CCC[C@H]1S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000601320810	553375480	/nfs/dbraw/zinc/37/54/80/553375480.db2.gz	CTUWVUUHPQAINS-QZTJIDSGSA-N	1	0	365.499	1.819	20	30		FDEDRO
N#CCc1ccccc1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1	ZINC000601342306	553379935	/nfs/dbraw/zinc/37/99/35/553379935.db2.gz	BOBHVDQVUFSORF-STQMWFEESA-N	1	0	361.389	1.900	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccccc3CC#N)CC2)C1	ZINC000601347350	553381615	/nfs/dbraw/zinc/38/16/15/553381615.db2.gz	IUJWZMZBXULFRW-QGZVFWFLSA-N	1	0	362.499	1.153	20	30		FDEDRO
Cc1cc(F)cc(C#N)c1S(=O)(=O)NCCC[NH+]1CCC(O)CC1	ZINC000601352239	553383282	/nfs/dbraw/zinc/38/32/82/553383282.db2.gz	HSCRUZIWMJYUST-UHFFFAOYSA-N	1	0	355.435	1.131	20	30		FDEDRO
Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCN(C[C@H]2CCOC2)CC1	ZINC000601366173	553386237	/nfs/dbraw/zinc/38/62/37/553386237.db2.gz	BAWUJAFAZQFJLN-CQSZACIVSA-N	1	0	367.446	1.349	20	30		FDEDRO
C[NH+]1CCN(CCCS(=O)(=O)N[C@@H](CCC#N)c2ccccc2)CC1	ZINC000601376332	553388664	/nfs/dbraw/zinc/38/86/64/553388664.db2.gz	BYZVSFICBCNRSX-SFHVURJKSA-N	1	0	364.515	1.588	20	30		FDEDRO
C[NH+]1CCN(CCCS(=O)(=O)N[C@H](CCC#N)c2ccccc2)CC1	ZINC000601376331	553388792	/nfs/dbraw/zinc/38/87/92/553388792.db2.gz	BYZVSFICBCNRSX-GOSISDBHSA-N	1	0	364.515	1.588	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2CCC([N@@H+]3CCCOCC3)CC2)ccc1F	ZINC000601440872	553406654	/nfs/dbraw/zinc/40/66/54/553406654.db2.gz	ZWKRHGADDXQCOG-UHFFFAOYSA-N	1	0	367.446	1.573	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000601482596	553417184	/nfs/dbraw/zinc/41/71/84/553417184.db2.gz	XRGPBOQMXBHQJL-SOLBZPMBSA-N	1	0	364.515	1.680	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCCN(c3cc[nH+]cc3)CC2)cc1F	ZINC000601523269	553428253	/nfs/dbraw/zinc/42/82/53/553428253.db2.gz	TZWWRQULMAHPHA-UHFFFAOYSA-N	1	0	360.414	1.993	20	30		FDEDRO
N#CCCN1CCN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1	ZINC000601556532	553435145	/nfs/dbraw/zinc/43/51/45/553435145.db2.gz	UIZWGEPWBFHXHO-UHFFFAOYSA-N	1	0	356.474	1.287	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCN(CCC#N)CC2)[C@@H](C)C1	ZINC000601575808	553438537	/nfs/dbraw/zinc/43/85/37/553438537.db2.gz	JYVXEYXWKXAQMB-ROUUACIJSA-N	1	0	365.522	1.364	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cc(F)cc(C#N)c2)C1	ZINC000602020796	553502271	/nfs/dbraw/zinc/50/22/71/553502271.db2.gz	VLCACRVNWAIVQB-INIZCTEOSA-N	1	0	362.405	1.109	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc(C#N)c2)CC[N@@H+](C2CCC2)C1	ZINC000602047929	553507840	/nfs/dbraw/zinc/50/78/40/553507840.db2.gz	IVOIJZMVMBZESB-ZDUSSCGKSA-N	1	0	358.417	1.969	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)cc1	ZINC000602173430	553533674	/nfs/dbraw/zinc/53/36/74/553533674.db2.gz	QCXNUEILOOTRES-CALCHBBNSA-N	1	0	361.467	1.216	20	30		FDEDRO
N#Cc1cccc2c1CN(C(=O)c1nnn([C@H]3CC[NH2+]C3)c1C(F)F)C2	ZINC000602519627	553597392	/nfs/dbraw/zinc/59/73/92/553597392.db2.gz	CAGDOPWSTXJJQB-LBPRGKRZSA-N	1	0	358.352	1.778	20	30		FDEDRO
N#CC1CCC([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1	ZINC000602538084	553601637	/nfs/dbraw/zinc/60/16/37/553601637.db2.gz	USIIGBRJGLKYGG-DAWZGUTISA-N	1	0	370.501	1.954	20	30		FDEDRO
CN(CCO)S(=O)(=O)c1ccccc1C[NH2+]C1CCC(C#N)CC1	ZINC000602544779	553603489	/nfs/dbraw/zinc/60/34/89/553603489.db2.gz	LEAHOIZVQGBTMK-UHFFFAOYSA-N	1	0	351.472	1.471	20	30		FDEDRO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1	ZINC000602566239	553606470	/nfs/dbraw/zinc/60/64/70/553606470.db2.gz	DYNWITGSCCBIPP-AWEZNQCLSA-N	1	0	355.504	1.632	20	30		FDEDRO
N#CC[C@@]1(O)CCN(CC(C[N@@H+]2CC[C@](O)(CC#N)C2)c2ccccc2)C1	ZINC000602850937	553650821	/nfs/dbraw/zinc/65/08/21/553650821.db2.gz	INEGGMPKCVHTHI-NHCUHLMSSA-N	1	0	368.481	1.471	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H](c3cccnc3)C2)CC1	ZINC000602857426	553652738	/nfs/dbraw/zinc/65/27/38/553652738.db2.gz	WQWVRKIDVPDGNN-VQTJNVASSA-N	1	0	369.513	1.953	20	30		FDEDRO
CNC(=O)c1cc(O[C@H]2CCC[N@H+](CCC(=O)N(C)CCC#N)C2)ccn1	ZINC000602863949	553654691	/nfs/dbraw/zinc/65/46/91/553654691.db2.gz	OVCMWVVBDHZYCA-INIZCTEOSA-N	1	0	373.457	1.047	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[N@H+](C)[C@H](C(C)(C)C)C2)CC1	ZINC000602874419	553656658	/nfs/dbraw/zinc/65/66/58/553656658.db2.gz	PKWUIAZYTMHXDS-ROUUACIJSA-N	1	0	363.550	1.341	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C[NH2+][C@@H]([C@H]2CCCO2)C2(CO)CCC2)cc1	ZINC000602893328	553663063	/nfs/dbraw/zinc/66/30/63/553663063.db2.gz	UTRDCKFULRSGPM-MJGOQNOKSA-N	1	0	357.454	1.474	20	30		FDEDRO
CN(C)S(=O)(=O)CCC[NH+]1CCC(Nc2ccccc2C#N)CC1	ZINC000602897761	553664097	/nfs/dbraw/zinc/66/40/97/553664097.db2.gz	ZHJLJEDXEMDSSD-UHFFFAOYSA-N	1	0	350.488	1.716	20	30		FDEDRO
CC1(C)NC(=O)N(CCC[NH+]2CCC(c3ccc(C#N)cn3)CC2)C1=O	ZINC000602908666	553666206	/nfs/dbraw/zinc/66/62/06/553666206.db2.gz	GKUBGHNNSQDOIN-UHFFFAOYSA-N	1	0	355.442	1.853	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](N3CCO[C@@H](Cn4ccnn4)C3)C2=O)cc1	ZINC000602909319	553666478	/nfs/dbraw/zinc/66/64/78/553666478.db2.gz	STEAVLJKAHHEOX-MSOLQXFVSA-N	1	0	366.425	1.046	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)CN1CC2(CCCC2)OC[C@@H]1C[NH+](C)C	ZINC000602912315	553667489	/nfs/dbraw/zinc/66/74/89/553667489.db2.gz	IUDYZHNPVNCRHU-WMZOPIPTSA-N	1	0	350.507	1.616	20	30		FDEDRO
COC[C@](C)(CO)[NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N	ZINC000602931705	553672061	/nfs/dbraw/zinc/67/20/61/553672061.db2.gz	JPHLTTBACHAMJP-DYVFJYSZSA-N	1	0	351.472	1.864	20	30		FDEDRO
COC[C@](C)(CO)[NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N	ZINC000602931706	553672182	/nfs/dbraw/zinc/67/21/82/553672182.db2.gz	JPHLTTBACHAMJP-GUYCJALGSA-N	1	0	351.472	1.864	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1	ZINC000602935378	553673278	/nfs/dbraw/zinc/67/32/78/553673278.db2.gz	LWVCWZOQOLUMIT-JSNMRZPZSA-N	1	0	368.437	1.306	20	30		FDEDRO
Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CCOc2cccc(C#N)c2)cn1	ZINC000602939962	553674955	/nfs/dbraw/zinc/67/49/55/553674955.db2.gz	CTZWLXLGURCIOW-KRWDZBQOSA-N	1	0	353.426	1.565	20	30		FDEDRO
Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CCCOc2cccc(C#N)c2)cn1	ZINC000602944654	553676278	/nfs/dbraw/zinc/67/62/78/553676278.db2.gz	WKFDDCMRKHDTMM-SFHVURJKSA-N	1	0	367.453	1.955	20	30		FDEDRO
CC1([NH+]2CCCC2)CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1	ZINC000602950837	553677818	/nfs/dbraw/zinc/67/78/18/553677818.db2.gz	OJJOJBIJTHJUQD-UHFFFAOYSA-N	1	0	362.499	1.677	20	30		FDEDRO
CO[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@](C)(CO)C1	ZINC000602964283	553681971	/nfs/dbraw/zinc/68/19/71/553681971.db2.gz	OFZIFBNKPFBPKW-XIKOKIGWSA-N	1	0	363.483	1.909	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2c(C)cc(=O)oc2C)C[C@H]1C	ZINC001104401679	782175413	/nfs/dbraw/zinc/17/54/13/782175413.db2.gz	YOJYOLHAYVXJCF-NVXWUHKLSA-N	1	0	360.454	1.594	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1cc(F)cc(C#N)c1	ZINC000603083295	553706965	/nfs/dbraw/zinc/70/69/65/553706965.db2.gz	YWVFNRAZYQZUOR-INIZCTEOSA-N	1	0	361.421	1.762	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C[C@@H](C)N1CC#N	ZINC000603091848	553707530	/nfs/dbraw/zinc/70/75/30/553707530.db2.gz	OQDWLTKBLLFACA-INMHGKMJSA-N	1	0	350.532	1.649	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)Nc2ccnc(C#N)c2)CC1	ZINC000603131322	553713364	/nfs/dbraw/zinc/71/33/64/553713364.db2.gz	NVKWTMWGFIQDDZ-IYBDPMFKSA-N	1	0	356.474	1.976	20	30		FDEDRO
N#CCCN(C(=O)Cn1cc(C[C@H]2CCC[NH2+]C2)nn1)c1ccccc1	ZINC000603166640	553719783	/nfs/dbraw/zinc/71/97/83/553719783.db2.gz	QFQAGDNIMIQSMA-MRXNPFEDSA-N	1	0	352.442	1.767	20	30		FDEDRO
COCC[NH2+]Cc1ccn(Cc2cn(Cc3cccc(C#N)c3F)nn2)n1	ZINC000603233829	553738201	/nfs/dbraw/zinc/73/82/01/553738201.db2.gz	CMSJOKIFIUESMX-UHFFFAOYSA-N	1	0	369.404	1.318	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1O2	ZINC000603270831	553748940	/nfs/dbraw/zinc/74/89/40/553748940.db2.gz	GUXQIFDOUMYMIV-RCCFBDPRSA-N	1	0	363.483	1.572	20	30		FDEDRO
C[C@@H]1COCC[C@@H]1S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000603278536	553751617	/nfs/dbraw/zinc/75/16/17/553751617.db2.gz	YGHQTSLSUUSKRC-QAPCUYQASA-N	1	0	365.499	1.677	20	30		FDEDRO
C[C@@H](CNc1ccc(C#N)cc1CS(N)(=O)=O)[N@@H+]1CCC[C@@H](C)C1	ZINC000603284049	553753930	/nfs/dbraw/zinc/75/39/30/553753930.db2.gz	NZSTVQRVGYZTRT-KGLIPLIRSA-N	1	0	350.488	1.879	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](CNc2ccc(C#N)cc2CS(N)(=O)=O)C1	ZINC000603311045	553761926	/nfs/dbraw/zinc/76/19/26/553761926.db2.gz	RQHNCBPLMKZVIX-OAHLLOKOSA-N	1	0	350.488	1.737	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1N1C[C@@H](SC)[C@H]([NH+](C)C)C1	ZINC000603331371	553765363	/nfs/dbraw/zinc/76/53/63/553765363.db2.gz	RTEHAGOIKMYVLS-HUUCEWRRSA-N	1	0	355.529	1.633	20	30		FDEDRO
C[C@@H]1CN(c2cc(C#N)c(Br)cn2)CC[N@@H+]1CC(C)(C)O	ZINC000603362547	553772115	/nfs/dbraw/zinc/77/21/15/553772115.db2.gz	SYZULCVUWKXLNH-LLVKDONJSA-N	1	0	353.264	1.997	20	30		FDEDRO
CC(C)C[C@H](NS(=O)(=O)CCCCC#N)C(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000603375481	553775091	/nfs/dbraw/zinc/77/50/91/553775091.db2.gz	FVQQROOHVIPJIJ-CVEARBPZSA-N	1	0	372.535	1.177	20	30		FDEDRO
N#Cc1cccc(F)c1CC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000603413560	553782389	/nfs/dbraw/zinc/78/23/89/553782389.db2.gz	YNEJAWTXLJTHDD-QGZVFWFLSA-N	1	0	374.460	1.153	20	30		FDEDRO
COc1cc(C[NH2+][C@H]2CCCN(CCN3CCOCC3)C2)ccc1C#N	ZINC000603428723	553786271	/nfs/dbraw/zinc/78/62/71/553786271.db2.gz	QBWORFKTUWNRRK-IBGZPJMESA-N	1	0	358.486	1.453	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1	ZINC000604370803	553868411	/nfs/dbraw/zinc/86/84/11/553868411.db2.gz	MTPLWLCNQKTKLE-SFHVURJKSA-N	1	0	359.470	1.388	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)cc1	ZINC000606035669	554037173	/nfs/dbraw/zinc/03/71/73/554037173.db2.gz	CNJOXXHCPSFADT-UHFFFAOYSA-N	1	0	373.457	1.485	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)NCCC[NH+]3CCCC3)CC2)nc1	ZINC000608997962	554333367	/nfs/dbraw/zinc/33/33/67/554333367.db2.gz	QSXKDGJZFPFPNJ-UHFFFAOYSA-N	1	0	356.474	1.707	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cc(C)nn2CCC#N)CC1=O	ZINC000609581665	554396732	/nfs/dbraw/zinc/39/67/32/554396732.db2.gz	TVQJBCWJDMYGFF-HOTGVXAUSA-N	1	0	372.473	1.377	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](C)C1CC[NH+](C)CC1	ZINC000609583486	554397549	/nfs/dbraw/zinc/39/75/49/554397549.db2.gz	LJRDJIKIDKGLQH-ZDUSSCGKSA-N	1	0	368.485	1.997	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([NH2+]C[C@H]3CCCN3c3cccnn3)C2=O)cc1	ZINC000609599913	554399658	/nfs/dbraw/zinc/39/96/58/554399658.db2.gz	RYOZMWQYXZJDQZ-MSOLQXFVSA-N	1	0	362.437	1.712	20	30		FDEDRO
CC(C)(CO)[NH+]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000609846031	554428522	/nfs/dbraw/zinc/42/85/22/554428522.db2.gz	YVSABFACQJJGPQ-UHFFFAOYSA-N	1	0	364.877	1.929	20	30		FDEDRO
CN(CC1CC1)S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000610007296	554448499	/nfs/dbraw/zinc/44/84/99/554448499.db2.gz	JKNLYZFYLTWIQZ-UHFFFAOYSA-N	1	0	350.488	1.508	20	30		FDEDRO
CCc1cc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)no1	ZINC000610102513	554461049	/nfs/dbraw/zinc/46/10/49/554461049.db2.gz	NGKTWJKAZQJFCK-UHFFFAOYSA-N	1	0	369.425	1.638	20	30		FDEDRO
C[C@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(C#N)c1	ZINC000610351109	554494744	/nfs/dbraw/zinc/49/47/44/554494744.db2.gz	OCWFEZCFMVXXLE-HNNXBMFYSA-N	1	0	371.485	1.861	20	30		FDEDRO
C[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(C#N)c1	ZINC000610401717	554499891	/nfs/dbraw/zinc/49/98/91/554499891.db2.gz	YVSAVKYXWMWQAL-QAPCUYQASA-N	1	0	371.485	1.861	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC[N@@H+]1C	ZINC000610402039	554499985	/nfs/dbraw/zinc/49/99/85/554499985.db2.gz	PYYPGJJOFRGKKB-YOEHRIQHSA-N	1	0	356.474	1.704	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC[N@@H+]1C	ZINC000610404713	554500772	/nfs/dbraw/zinc/50/07/72/554500772.db2.gz	ROWWMDFUNBKVHK-DZGCQCFKSA-N	1	0	372.473	1.738	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCO[C@H](C(=O)OC(C)(C)C)C2)CC1	ZINC000610460111	554512244	/nfs/dbraw/zinc/51/22/44/554512244.db2.gz	YYVOKKZGEGYHGT-HNNXBMFYSA-N	1	0	353.463	1.389	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)CN2CC[NH+](C(C)(C)CO)CC2)c1C	ZINC000610481201	554516563	/nfs/dbraw/zinc/51/65/63/554516563.db2.gz	PDOONGBPRVXIOT-UHFFFAOYSA-N	1	0	372.513	1.939	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]2C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1	ZINC000610527112	554523009	/nfs/dbraw/zinc/52/30/09/554523009.db2.gz	JXOUZJGBWULVQD-QUCCMNQESA-N	1	0	368.481	1.708	20	30		FDEDRO
CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000610721428	554554293	/nfs/dbraw/zinc/55/42/93/554554293.db2.gz	JVBZLOZLMWVMOB-KRWDZBQOSA-N	1	0	356.474	1.659	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCN(c2c(C#N)cnc3c(F)ccc(F)c32)CC1	ZINC000610758537	554558822	/nfs/dbraw/zinc/55/88/22/554558822.db2.gz	HTIHPKPGLPPJOQ-UHFFFAOYSA-N	1	0	373.407	1.985	20	30		FDEDRO
CS(=O)(=O)N1CCC([NH2+]CCSCc2ccccc2C#N)CC1	ZINC000610804896	554564753	/nfs/dbraw/zinc/56/47/53/554564753.db2.gz	SDXYNLCBOUREDK-UHFFFAOYSA-N	1	0	353.513	1.805	20	30		FDEDRO
C[C@H]1CN(C(=O)NCc2ccc(C#N)cc2F)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000611209878	554615326	/nfs/dbraw/zinc/61/53/26/554615326.db2.gz	LJSBJWIARUPPEY-KXBFYZLASA-N	1	0	373.476	1.865	20	30		FDEDRO
CC(C)[NH+](CCNC(=O)C1CCN(c2ccc(C#N)nn2)CC1)C(C)C	ZINC000611240098	554618860	/nfs/dbraw/zinc/61/88/60/554618860.db2.gz	HKXKRUARKATISX-UHFFFAOYSA-N	1	0	358.490	1.800	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@](C)(CO)c2ccccc2)CC1	ZINC000611371746	554629300	/nfs/dbraw/zinc/62/93/00/554629300.db2.gz	YMEFNRJVVIJGTH-AZUAARDMSA-N	1	0	358.486	1.176	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)Nc1cccc(S(N)(=O)=O)c1)c1cccc(C#N)c1	ZINC000611388344	554630413	/nfs/dbraw/zinc/63/04/13/554630413.db2.gz	FONJYQLYDYSWEB-LBPRGKRZSA-N	1	0	358.423	1.495	20	30		FDEDRO
COC1CC[NH+](CCNC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)CC1	ZINC000611558303	554645655	/nfs/dbraw/zinc/64/56/55/554645655.db2.gz	BEGHVXCVCZPUJB-UHFFFAOYSA-N	1	0	367.453	1.893	20	30		FDEDRO
N#Cc1ccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cn1	ZINC000611908881	554700716	/nfs/dbraw/zinc/70/07/16/554700716.db2.gz	GGYBKACGYBJBAW-LJQANCHMSA-N	1	0	350.422	1.840	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@H](C)c3cnccc3C)CC2)o1	ZINC000611938787	554705940	/nfs/dbraw/zinc/70/59/40/554705940.db2.gz	ILLHAOYFDRJDMB-CQSZACIVSA-N	1	0	368.441	1.558	20	30		FDEDRO
N#Cc1cccnc1-n1cc(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)cn1	ZINC000613156946	554893703	/nfs/dbraw/zinc/89/37/03/554893703.db2.gz	OZVJTXVGMYESRI-UHFFFAOYSA-N	1	0	374.408	1.888	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)CC1	ZINC000613246191	554904098	/nfs/dbraw/zinc/90/40/98/554904098.db2.gz	ZNFKFBIKACHNGI-ROUUACIJSA-N	1	0	350.507	1.472	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CNC(=O)c1ccncc1	ZINC000613620778	554945895	/nfs/dbraw/zinc/94/58/95/554945895.db2.gz	DBOMAPKMGFMFQH-UHFFFAOYSA-N	1	0	365.437	1.273	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1	ZINC000613690274	554954900	/nfs/dbraw/zinc/95/49/00/554954900.db2.gz	BJXKBBKHSPNNDS-XLIONFOSSA-N	1	0	369.513	1.669	20	30		FDEDRO
C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)C1CCS(=O)(=O)CC1	ZINC000614631633	555084399	/nfs/dbraw/zinc/08/43/99/555084399.db2.gz	JPKLNRCMFKQFAJ-CQSZACIVSA-N	1	0	362.499	1.725	20	30		FDEDRO
N#CCCN(Cc1ccco1)C(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1	ZINC000615048803	555151620	/nfs/dbraw/zinc/15/16/20/555151620.db2.gz	IPMFYTHRFXUOFH-UHFFFAOYSA-N	1	0	364.365	1.741	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CC[C@@](F)(C#N)C2)CC1	ZINC000615592604	555217052	/nfs/dbraw/zinc/21/70/52/555217052.db2.gz	SPMGQZASEWUHEA-GOSISDBHSA-N	1	0	367.469	1.260	20	30		FDEDRO
N#C[C@@]1(F)CCN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1	ZINC000615591274	555217068	/nfs/dbraw/zinc/21/70/68/555217068.db2.gz	IEEUREZAMKQEOR-SFHVURJKSA-N	1	0	352.454	1.916	20	30		FDEDRO
CC(C)N1CC[NH+](C2CCN([C@H](C)C(=O)NC3(C#N)CCC3)CC2)CC1	ZINC000615793480	555241430	/nfs/dbraw/zinc/24/14/30/555241430.db2.gz	OCSQJFSCWIVYBH-QGZVFWFLSA-N	1	0	361.534	1.428	20	30		FDEDRO
CC(C)[C@@H]1CN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC[N@@H+]1C	ZINC000617015633	555373527	/nfs/dbraw/zinc/37/35/27/555373527.db2.gz	ZEEOLNRCGWFTJY-SFHVURJKSA-N	1	0	370.501	1.904	20	30		FDEDRO
C=CCCn1cc(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)nn1	ZINC000617974249	555551477	/nfs/dbraw/zinc/55/14/77/555551477.db2.gz	FVHCLGDBNDSWJV-UHFFFAOYSA-N	1	0	354.458	1.891	20	30		FDEDRO
COC1(CO)CC[NH+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1	ZINC000618551259	555648793	/nfs/dbraw/zinc/64/87/93/555648793.db2.gz	RPRZUHBCHRTGQS-UPTPFMHGSA-N	1	0	351.491	1.779	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)o1	ZINC000619429424	555775293	/nfs/dbraw/zinc/77/52/93/555775293.db2.gz	IWXWVEOCHCOYLE-CVEARBPZSA-N	1	0	357.458	1.814	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(S(=O)(=O)c3cccc(CC#N)c3)CC2)c1	ZINC000619482112	555784675	/nfs/dbraw/zinc/78/46/75/555784675.db2.gz	SAOKUNHHIRWPPK-UHFFFAOYSA-N	1	0	372.450	1.667	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[N@@H+](CCC)C2)c1	ZINC000619894383	555854031	/nfs/dbraw/zinc/85/40/31/555854031.db2.gz	XDICIIVFQLGDRC-OAHLLOKOSA-N	1	0	351.472	1.365	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)Nc3cnn(CC[NH+](C)C)c3)cc2C1=O	ZINC000622407812	556259146	/nfs/dbraw/zinc/25/91/46/556259146.db2.gz	UXSYDMITOURNNI-UHFFFAOYSA-N	1	0	367.409	1.479	20	30		FDEDRO
CCN(C)C(=O)[C@@H]([NH2+]CC#CCN1C(=O)c2ccccc2C1=O)C(C)C	ZINC000625453017	556811568	/nfs/dbraw/zinc/81/15/68/556811568.db2.gz	HBAGDDMDPCFQBF-KRWDZBQOSA-N	1	0	355.438	1.379	20	30		FDEDRO
COCC[N@@H+]1CCN(CC#CCN2C(=O)c3ccccc3C2=O)C(C)(C)C1	ZINC000625515040	556836281	/nfs/dbraw/zinc/83/62/81/556836281.db2.gz	YMXKOMLPUOHQQX-UHFFFAOYSA-N	1	0	369.465	1.329	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccnc(N2CCOCC2)n1)C(C)C	ZINC000625556496	556853163	/nfs/dbraw/zinc/85/31/63/556853163.db2.gz	ISCUIDWFOPJOLM-SFHVURJKSA-N	1	0	373.501	1.742	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC[N@H+]2CC[C@@H](O)C2)cc1	ZINC000626323021	557053373	/nfs/dbraw/zinc/05/33/73/557053373.db2.gz	PFCCGYLFUBGGCN-GOSISDBHSA-N	1	0	372.469	1.689	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(CC)([NH+]2CCOCC2)CC1	ZINC000629414748	557782102	/nfs/dbraw/zinc/78/21/02/557782102.db2.gz	SILLXLHBXFSYEQ-QGZVFWFLSA-N	1	0	351.491	1.561	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCN(C3CCC3)C2=O)c(OC)c1	ZINC000629617220	557818260	/nfs/dbraw/zinc/81/82/60/557818260.db2.gz	HNPSDHZXMJQNOO-ZWKOTPCHSA-N	1	0	374.481	1.906	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCCC[C@@H]([NH3+])C2)c1	ZINC000631960110	558074221	/nfs/dbraw/zinc/07/42/21/558074221.db2.gz	IWVJMIZVRZXLOC-OAHLLOKOSA-N	1	0	351.472	1.494	20	30		FDEDRO
C=C(C)Cn1c(COCCOC)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1	ZINC000634383312	558457436	/nfs/dbraw/zinc/45/74/36/558457436.db2.gz	XHTFZMJVPLSHBA-INIZCTEOSA-N	1	0	351.495	1.794	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1	ZINC000634749411	558520664	/nfs/dbraw/zinc/52/06/64/558520664.db2.gz	RNOUPRFZNOKNBN-HDICACEKSA-N	1	0	363.483	1.223	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC(CCO)(CCO)CC2)CC1	ZINC000636742904	568007229	/nfs/dbraw/zinc/00/72/29/568007229.db2.gz	PQQLVHHPOMLLNE-UHFFFAOYSA-N	1	0	353.507	1.584	20	30		FDEDRO
C=C(CC)C[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C	ZINC000521427621	568018410	/nfs/dbraw/zinc/01/84/10/568018410.db2.gz	LANIEYVNYQLXJI-UHFFFAOYSA-N	1	0	360.501	1.266	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1	ZINC000637012923	568302430	/nfs/dbraw/zinc/30/24/30/568302430.db2.gz	SKLCJVHHDBPSOJ-GOSISDBHSA-N	1	0	359.470	1.394	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)CC1	ZINC000365397832	568613433	/nfs/dbraw/zinc/61/34/33/568613433.db2.gz	VXHLHTSIOOPEEM-CRAIPNDOSA-N	1	0	359.474	1.015	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)COc1ccccc1-c1nn[nH]n1	ZINC000821182498	607322487	/nfs/dbraw/zinc/32/24/87/607322487.db2.gz	VIYUYPRCUIQQQR-CQSZACIVSA-N	1	0	357.414	1.522	20	30		FDEDRO
CN(C)C(=S)NN=C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000736753116	598585285	/nfs/dbraw/zinc/58/52/85/598585285.db2.gz	FPYZPZIUEMOBIM-UHFFFAOYSA-N	1	0	358.475	1.255	20	30		FDEDRO
C[C@@H]1C[N@@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)CC[C@H]1N1CC[NH+](C)CC1	ZINC000833621821	605051050	/nfs/dbraw/zinc/05/10/50/605051050.db2.gz	JWNZTWXRXKKHPS-LZQZEXGQSA-N	1	0	356.470	1.642	20	30		FDEDRO
N#CCc1ccc(C[NH+]2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)cc1	ZINC000826382603	609515885	/nfs/dbraw/zinc/51/58/85/609515885.db2.gz	MHHOVMYQIOASLF-UHFFFAOYSA-N	1	0	360.425	1.650	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1	ZINC000274990508	674600029	/nfs/dbraw/zinc/60/00/29/674600029.db2.gz	UYPAHBXCABJLBV-GOSISDBHSA-N	1	0	361.467	1.191	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCC2([NH+](C)C)CCC2)cc1	ZINC000275825466	674645975	/nfs/dbraw/zinc/64/59/75/674645975.db2.gz	FRNDTIWHPVIWJM-UHFFFAOYSA-N	1	0	351.472	1.365	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNS(=O)(=O)Cc2cccc(C#N)c2)CCCO1	ZINC000277978857	675072973	/nfs/dbraw/zinc/07/29/73/675072973.db2.gz	TVDDZFYKALTJRQ-OAHLLOKOSA-N	1	0	351.472	1.479	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCOCC(F)(F)F)=[NH+]C[C@@H]2C1	ZINC000089120323	671491702	/nfs/dbraw/zinc/49/17/02/671491702.db2.gz	RUMAFDZFMMQRKR-LLVKDONJSA-N	1	0	366.384	1.446	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)CC1	ZINC000098093476	671582667	/nfs/dbraw/zinc/58/26/67/671582667.db2.gz	LWTUYTZUASQXDN-UHFFFAOYSA-N	1	0	361.467	1.510	20	30		FDEDRO
CCNC(NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)=[NH+]CC	ZINC000133685531	671822898	/nfs/dbraw/zinc/82/28/98/671822898.db2.gz	PCSJYILAGPWQRE-UHFFFAOYSA-N	1	0	367.393	1.934	20	30		FDEDRO
Cc1cc(S(=O)(=O)NCCNC(=[NH2+])N2CCSCC2)c(C)s1	ZINC000151408412	671864653	/nfs/dbraw/zinc/86/46/53/671864653.db2.gz	XUKSCSYQJSPASI-UHFFFAOYSA-N	1	0	362.546	1.007	20	30		FDEDRO
C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)Cc2ccc(C#N)cc2)CC1	ZINC000288307005	675990477	/nfs/dbraw/zinc/99/04/77/675990477.db2.gz	KEEVOMZRLKNLQT-OAHLLOKOSA-N	1	0	365.499	1.413	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1	ZINC000185201698	672257452	/nfs/dbraw/zinc/25/74/52/672257452.db2.gz	ZFCWQKUHDWBLDG-KDOFPFPSSA-N	1	0	352.479	1.934	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH2+]CC2CCN(S(C)(=O)=O)CC2)cc1	ZINC000237196117	672421179	/nfs/dbraw/zinc/42/11/79/672421179.db2.gz	VQFDVXDHFBANMM-UHFFFAOYSA-N	1	0	364.515	1.798	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c1	ZINC000238016698	672432241	/nfs/dbraw/zinc/43/22/41/672432241.db2.gz	OVKKKSABBUZITB-GDBMZVCRSA-N	1	0	351.472	1.398	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)NC[C@@](C)(O)c1cccs1	ZINC000261629108	672639676	/nfs/dbraw/zinc/63/96/76/672639676.db2.gz	CFIYPVSUMYUTFB-SUMWQHHRSA-N	1	0	362.503	1.283	20	30		FDEDRO
C[NH+]=C(NCc1nc(C)c(C)s1)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000261679797	672649643	/nfs/dbraw/zinc/64/96/43/672649643.db2.gz	HMEDRGYFUANKAM-HNNXBMFYSA-N	1	0	351.520	1.489	20	30		FDEDRO
C[NH+]=C(NCc1nc(C)no1)N(C)Cc1cc(Br)cn1C	ZINC000261795993	672673381	/nfs/dbraw/zinc/67/33/81/672673381.db2.gz	QXMSCDQWLCSKFA-UHFFFAOYSA-N	1	0	355.240	1.686	20	30		FDEDRO
CC[NH+]=C(NC[C@]1(C)CCOC1)N1CCN(c2nc(CC)ns2)CC1	ZINC000261836217	672680759	/nfs/dbraw/zinc/68/07/59/672680759.db2.gz	WBYDDKBTDZBKOW-KRWDZBQOSA-N	1	0	366.535	1.615	20	30		FDEDRO
[NH2+]=C(NCc1cc(Br)c2c(c1)OCCO2)NC[C@H]1CCCO1	ZINC000261891591	672689608	/nfs/dbraw/zinc/68/96/08/672689608.db2.gz	UAWHHWVIMNJYBC-LLVKDONJSA-N	1	0	370.247	1.804	20	30		FDEDRO
[NH2+]=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)NC[C@@H]1CCCO1	ZINC000261895929	672690410	/nfs/dbraw/zinc/69/04/10/672690410.db2.gz	UWACMUGERZUQHJ-HNNXBMFYSA-N	1	0	366.487	1.054	20	30		FDEDRO
CC[NH+]=C(NC[C@@H](C)Oc1ccccc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261933773	672696931	/nfs/dbraw/zinc/69/69/31/672696931.db2.gz	BZOFXUKXUFEIBX-OAHLLOKOSA-N	1	0	367.515	1.928	20	30		FDEDRO
C[NH+]=C(NC[C@@H](c1cccs1)N(C)C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261951593	672700480	/nfs/dbraw/zinc/70/04/80/672700480.db2.gz	HOJQSNIMIKEATH-ZDUSSCGKSA-N	1	0	372.560	1.435	20	30		FDEDRO
CCC1(CC)CCN(C(NCc2ccc(S(N)(=O)=O)s2)=[NH+]C)C1	ZINC000261976226	672705293	/nfs/dbraw/zinc/70/52/93/672705293.db2.gz	NSGYWUWJGKXVAR-UHFFFAOYSA-N	1	0	358.533	1.983	20	30		FDEDRO
[NH2+]=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)N1CCOCC1	ZINC000261983878	672706859	/nfs/dbraw/zinc/70/68/59/672706859.db2.gz	JHLPVJNUWCSLFC-ZDUSSCGKSA-N	1	0	367.291	1.922	20	30		FDEDRO
C[NH+]=C(NCCO)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1	ZINC000262020437	672713255	/nfs/dbraw/zinc/71/32/55/672713255.db2.gz	YPYVPBQVGOINKL-JTQLQIEISA-N	1	0	365.787	1.490	20	30		FDEDRO
CN(C)C(=O)CNC(=[NH+]C[C@H]1CCCO1)N1CCC2(C1)CCCCC2	ZINC000262263937	672757948	/nfs/dbraw/zinc/75/79/48/672757948.db2.gz	FHUMLUWANUZXHV-MRXNPFEDSA-N	1	0	350.507	1.855	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@@H]1CCN(c2ccc(Cl)cc2)C1)=[NH+]C1CC1	ZINC000262271777	672759335	/nfs/dbraw/zinc/75/93/35/672759335.db2.gz	HARVBHNJOGWRBR-OAHLLOKOSA-N	1	0	363.893	1.705	20	30		FDEDRO
[NH2+]=C(NC[C@H](N1CCOCC1)C(F)(F)F)Nc1cc(F)ccc1F	ZINC000262273915	672759680	/nfs/dbraw/zinc/75/96/80/672759680.db2.gz	JDIPPHPIFWMDKD-LBPRGKRZSA-N	1	0	352.307	1.955	20	30		FDEDRO
[NH2+]=C(NC[C@@H]1CCCS(=O)(=O)C1)Nc1ccc2c(c1)OCCCO2	ZINC000262311299	672766929	/nfs/dbraw/zinc/76/69/29/672766929.db2.gz	NVDPEZHJIWBKPS-LBPRGKRZSA-N	1	0	353.444	1.399	20	30		FDEDRO
C[NH+]=C(N[C@@H]1C[C@](C)(OC)C1(C)C)NC1CCN(C(=O)C2CC2)CC1	ZINC000262395343	672782769	/nfs/dbraw/zinc/78/27/69/672782769.db2.gz	MWUHJLPPMVRFOW-BEFAXECRSA-N	1	0	350.507	1.756	20	30		FDEDRO
C[C@@H]1C[C@H](NC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CCCCC2)CCO1	ZINC000262414078	672785428	/nfs/dbraw/zinc/78/54/28/672785428.db2.gz	PVOZYIWQRFIHII-BFYDXBDKSA-N	1	0	371.547	1.857	20	30		FDEDRO
Cc1nc(CNC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C(C)C)sc1C	ZINC000262416920	672786275	/nfs/dbraw/zinc/78/62/75/672786275.db2.gz	QGJJTWPQFCQUTA-ZDUSSCGKSA-N	1	0	358.533	1.638	20	30		FDEDRO
Cc1nc(CNC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C(C)C)sc1C	ZINC000262416918	672786281	/nfs/dbraw/zinc/78/62/81/672786281.db2.gz	QGJJTWPQFCQUTA-CYBMUJFWSA-N	1	0	358.533	1.638	20	30		FDEDRO
C[C@H]1CN(C(=[NH2+])NCCN2CCN(c3cccc(Cl)c3)CC2)CCO1	ZINC000262420610	672786455	/nfs/dbraw/zinc/78/64/55/672786455.db2.gz	AYIGMUYGRFYSKB-HNNXBMFYSA-N	1	0	365.909	1.497	20	30		FDEDRO
CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCOC2(CCCC2)C1	ZINC000262437232	672789388	/nfs/dbraw/zinc/78/93/88/672789388.db2.gz	UCEDNMWIOXBNKI-HOTGVXAUSA-N	1	0	371.547	1.858	20	30		FDEDRO
C[NH+]=C(NCCN1CCCS1(=O)=O)N1CC[C@@H](c2ccccc2)C1	ZINC000262437984	672789467	/nfs/dbraw/zinc/78/94/67/672789467.db2.gz	GWNNXMHVDWVHPY-MRXNPFEDSA-N	1	0	350.488	1.087	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(=[NH+]C[C@@H]2CCCO2)N2CC[C@@H](C3CC3)C2)C1	ZINC000262447749	672791072	/nfs/dbraw/zinc/79/10/72/672791072.db2.gz	VNJZIAQRNZANCB-OIISXLGYSA-N	1	0	369.531	1.278	20	30		FDEDRO
Cc1nc(C)c(CNC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)s1	ZINC000262456511	672792711	/nfs/dbraw/zinc/79/27/11/672792711.db2.gz	WVHSPPNHJWGGHL-LBPRGKRZSA-N	1	0	356.517	1.392	20	30		FDEDRO
CC(C)C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](O)C(C)(C)C1	ZINC000262467276	672794273	/nfs/dbraw/zinc/79/42/73/672794273.db2.gz	YLRGKEWRMYYGLF-GJZGRUSLSA-N	1	0	359.536	1.116	20	30		FDEDRO
C[NH+]=C(NCc1cn2cc(Cl)ccc2n1)NC[C@H](O)c1cnn(C)c1	ZINC000262490261	672797984	/nfs/dbraw/zinc/79/79/84/672797984.db2.gz	ZHWZEXSUSQGUER-AWEZNQCLSA-N	1	0	361.837	1.120	20	30		FDEDRO
C#CCCS(=O)(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1	ZINC000288862305	676064762	/nfs/dbraw/zinc/06/47/62/676064762.db2.gz	NEBMLIJWXYNFBR-HZPDHXFCSA-N	1	0	350.484	1.739	20	30		FDEDRO
C#CCCS(=O)(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1	ZINC000288862302	676064770	/nfs/dbraw/zinc/06/47/70/676064770.db2.gz	NEBMLIJWXYNFBR-HOTGVXAUSA-N	1	0	350.484	1.739	20	30		FDEDRO
C#CCCS(=O)(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000288862307	676064811	/nfs/dbraw/zinc/06/48/11/676064811.db2.gz	NEBMLIJWXYNFBR-IYBDPMFKSA-N	1	0	350.484	1.739	20	30		FDEDRO
CS(=O)(=O)C1(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CCCC1	ZINC000262674567	672828671	/nfs/dbraw/zinc/82/86/71/672828671.db2.gz	SQMWPVVANKAEBU-UHFFFAOYSA-N	1	0	367.471	1.932	20	30		FDEDRO
CO[C@H](C)c1nc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)cs1	ZINC000262685490	672830416	/nfs/dbraw/zinc/83/04/16/672830416.db2.gz	AIGAUJBNVZLVSJ-GFCCVEGCSA-N	1	0	361.475	1.277	20	30		FDEDRO
C[NH+]=C(NCc1ccsc1)NC[C@@]1(N2CCOCC2)CCSC1	ZINC000262732871	672837699	/nfs/dbraw/zinc/83/76/99/672837699.db2.gz	UWMSAHCYMKROFX-INIZCTEOSA-N	1	0	354.545	1.621	20	30		FDEDRO
C[NH+]=C(NCCN(C)CC(F)(F)F)N1CCC[C@]2(CCCOC2)C1	ZINC000262767515	672845679	/nfs/dbraw/zinc/84/56/79/672845679.db2.gz	GPJKCZAVELTRPH-HNNXBMFYSA-N	1	0	350.429	1.949	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000288891842	676068975	/nfs/dbraw/zinc/06/89/75/676068975.db2.gz	VJPYHACEBBATNQ-UHFFFAOYSA-N	1	0	365.865	1.150	20	30		FDEDRO
CC(C)CCNC(=[NH2+])NCc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000264078773	672900099	/nfs/dbraw/zinc/90/00/99/672900099.db2.gz	GNRWIPCMFYYHRC-UHFFFAOYSA-N	1	0	352.504	1.922	20	30		FDEDRO
CCS(=O)(=O)NCCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1	ZINC000264068756	672900139	/nfs/dbraw/zinc/90/01/39/672900139.db2.gz	CMEOPCFXQPMGNS-UHFFFAOYSA-N	1	0	354.354	1.251	20	30		FDEDRO
COCCNC(=[NH2+])NC[C@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1	ZINC000264083958	672900759	/nfs/dbraw/zinc/90/07/59/672900759.db2.gz	IHQNDFVEPQJTHB-IUODEOHRSA-N	1	0	372.872	1.792	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](c2ccsc2)N(C)C)CC1	ZINC000264134212	672902574	/nfs/dbraw/zinc/90/25/74/672902574.db2.gz	ZCQFICKHCSNCPH-HNNXBMFYSA-N	1	0	367.519	1.876	20	30		FDEDRO
COc1ccc(C[NH2+]CCS(=O)(=O)NC(C)C)cc1OCCCC#N	ZINC000264409592	672912678	/nfs/dbraw/zinc/91/26/78/672912678.db2.gz	ZEPONIKUJICHME-UHFFFAOYSA-N	1	0	369.487	1.795	20	30		FDEDRO
C=C(C)C[NH+]1CCC(Nc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1	ZINC000264468621	672914244	/nfs/dbraw/zinc/91/42/44/672914244.db2.gz	IAEICOHUWRQPEJ-UHFFFAOYSA-N	1	0	354.432	1.695	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H](C(N)=O)C(C)(C)C)c(OC)c1	ZINC000264540685	672917398	/nfs/dbraw/zinc/91/73/98/672917398.db2.gz	BTYDZGWFPYJTHU-WMLDXEAASA-N	1	0	350.459	1.653	20	30		FDEDRO
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(CCO)CCCO	ZINC000264644459	672919903	/nfs/dbraw/zinc/91/99/03/672919903.db2.gz	WCSUYMIARKYGMG-AWEZNQCLSA-N	1	0	351.472	1.696	20	30		FDEDRO
N#CCCCS(=O)(=O)NCc1ccccc1OCCN1CCOCC1	ZINC000264798336	672925469	/nfs/dbraw/zinc/92/54/69/672925469.db2.gz	ZGDYTWCBIUVFMN-UHFFFAOYSA-N	1	0	367.471	1.121	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+](C)CCOCCOC)c(OC)c1	ZINC000289012509	676083257	/nfs/dbraw/zinc/08/32/57/676083257.db2.gz	NFZCHCRHAGYVMN-QGZVFWFLSA-N	1	0	353.459	1.758	20	30		FDEDRO
C[NH+](C)C1(CNS(=O)(=O)c2ccc(C#N)nc2)Cc2ccccc2C1	ZINC000266226390	673086880	/nfs/dbraw/zinc/08/68/80/673086880.db2.gz	SVJWXEXUZZSHLO-UHFFFAOYSA-N	1	0	356.451	1.331	20	30		FDEDRO
C#CC[N@H+](CC)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000266930437	673217148	/nfs/dbraw/zinc/21/71/48/673217148.db2.gz	OLWOVWRIQIZIAS-UHFFFAOYSA-N	1	0	352.456	1.041	20	30		FDEDRO
C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CCSC1	ZINC000267329804	673291526	/nfs/dbraw/zinc/29/15/26/673291526.db2.gz	RCGRUJDKWHDGDO-MRXNPFEDSA-N	1	0	366.874	1.704	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@](C)(O)c2ccsc2)CC1	ZINC000267403845	673300062	/nfs/dbraw/zinc/30/00/62/673300062.db2.gz	GPIFABFIBSOMTC-MRXNPFEDSA-N	1	0	354.476	1.481	20	30		FDEDRO
CO[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)c1ccc(Cl)cc1	ZINC000267405299	673300302	/nfs/dbraw/zinc/30/03/02/673300302.db2.gz	GWKCTBYDLHJODP-INIZCTEOSA-N	1	0	354.882	1.654	20	30		FDEDRO
N#Cc1cncc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1	ZINC000289783065	676177861	/nfs/dbraw/zinc/17/78/61/676177861.db2.gz	LVOGZIVOKDLBDT-KRWDZBQOSA-N	1	0	356.451	1.896	20	30		FDEDRO
N#Cc1cncc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1	ZINC000289806288	676180472	/nfs/dbraw/zinc/18/04/72/676180472.db2.gz	OAGZEDVKDDYPDN-UHFFFAOYSA-N	1	0	356.451	1.896	20	30		FDEDRO
CCCC[N@H+](C)C[C@@H](C)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000290447428	676206015	/nfs/dbraw/zinc/20/60/15/676206015.db2.gz	BMLIPCYWNBZCHR-OAHLLOKOSA-N	1	0	365.499	1.710	20	30		FDEDRO
COc1cc(C[NH2+]CCNS(=O)(=O)c2cccs2)ccc1C#N	ZINC000281462735	675521544	/nfs/dbraw/zinc/52/15/44/675521544.db2.gz	AYSHYEIYHPFNBD-UHFFFAOYSA-N	1	0	351.453	1.696	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1	ZINC000281505632	675525294	/nfs/dbraw/zinc/52/52/94/675525294.db2.gz	IEHMVMMSHPMBAX-UHFFFAOYSA-N	1	0	371.890	1.758	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(S(N)(=O)=O)oc1C)C(C)C	ZINC000281737985	675552817	/nfs/dbraw/zinc/55/28/17/675552817.db2.gz	XXSGECVLFGVGSC-HNNXBMFYSA-N	1	0	369.487	1.664	20	30		FDEDRO
CC[N@H+](CCOCCO)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1	ZINC000282020218	675587094	/nfs/dbraw/zinc/58/70/94/675587094.db2.gz	KFZFXUXFOUKKRQ-OAHLLOKOSA-N	1	0	351.422	1.792	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000282814497	675642582	/nfs/dbraw/zinc/64/25/82/675642582.db2.gz	LDRHNVFKEVFNOD-DOTOQJQBSA-N	1	0	350.488	1.577	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(CCOc2ccccc2)CC1	ZINC000283059318	675648035	/nfs/dbraw/zinc/64/80/35/675648035.db2.gz	SYTBFDVFBVRWKC-INIZCTEOSA-N	1	0	366.487	1.162	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@H](CO)C1)C(C)C	ZINC000283155828	675649564	/nfs/dbraw/zinc/64/95/64/675649564.db2.gz	KGJULIJPDKHDAJ-DLBZAZTESA-N	1	0	351.491	1.032	20	30		FDEDRO
C#CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1	ZINC000285102700	675798668	/nfs/dbraw/zinc/79/86/68/675798668.db2.gz	LXHMXDNTQRZHGO-CGTJXYLNSA-N	1	0	362.495	1.245	20	30		FDEDRO
C#CCNC(=O)CC[N@@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1	ZINC000292659170	676304010	/nfs/dbraw/zinc/30/40/10/676304010.db2.gz	AHYVJXQDLBLLMR-OAHLLOKOSA-N	1	0	361.873	1.555	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(F)c2)C[C@H]1[NH+]1CCCC1	ZINC000292734216	676308330	/nfs/dbraw/zinc/30/83/30/676308330.db2.gz	VCNQIGWCXNKOHK-CVEARBPZSA-N	1	0	369.487	1.898	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Br)nc1C	ZINC000293362555	676347412	/nfs/dbraw/zinc/34/74/12/676347412.db2.gz	LOQOJIQSLLPFID-UHFFFAOYSA-N	1	0	367.247	1.162	20	30		FDEDRO
CN(C)S(=O)(=O)NCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1	ZINC000297302263	676425579	/nfs/dbraw/zinc/42/55/79/676425579.db2.gz	AOIKPTWVEHDHOZ-UHFFFAOYSA-N	1	0	350.488	1.376	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)NC2CC[NH+](C(C)C)CC2)cc1	ZINC000298205246	676440659	/nfs/dbraw/zinc/44/06/59/676440659.db2.gz	ZEUIXEURGHTFPJ-UHFFFAOYSA-N	1	0	363.483	1.201	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1	ZINC000299188943	676522180	/nfs/dbraw/zinc/52/21/80/676522180.db2.gz	CIODTYBRKKCLMX-UHFFFAOYSA-N	1	0	357.241	1.585	20	30		FDEDRO
C=CC[N@@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C1CC1	ZINC000299727515	676539005	/nfs/dbraw/zinc/53/90/05/676539005.db2.gz	VISNMAMTOAYCLS-UHFFFAOYSA-N	1	0	351.472	1.033	20	30		FDEDRO
CNS(=O)(=O)Cc1ccc(CNC(=[NH2+])Nc2cccc(OC)c2)cc1	ZINC000303770593	676542826	/nfs/dbraw/zinc/54/28/26/676542826.db2.gz	BYUOJYBKTZWDHQ-UHFFFAOYSA-N	1	0	362.455	1.671	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCCOC[C@H]2CCCO2)CC1	ZINC000303789926	676543085	/nfs/dbraw/zinc/54/30/85/676543085.db2.gz	VWEQMDZCOBDIHW-OAHLLOKOSA-N	1	0	356.467	1.097	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NCc2cccc(S(N)(=O)=O)c2)cc1OC	ZINC000303887508	676543506	/nfs/dbraw/zinc/54/35/06/676543506.db2.gz	KXLBWTIRDUWBQF-UHFFFAOYSA-N	1	0	364.427	1.278	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCc2c(C)nn(C)c2C)CC1	ZINC000303905332	676543644	/nfs/dbraw/zinc/54/36/44/676543644.db2.gz	ZHPGENOOOBDHIN-UHFFFAOYSA-N	1	0	350.467	1.105	20	30		FDEDRO
COc1cccc(NC(=[NH2+])NCCS(=O)(=O)NCc2ccccc2)c1	ZINC000303907168	676543800	/nfs/dbraw/zinc/54/38/00/676543800.db2.gz	WPTVJRZIIGBFJI-UHFFFAOYSA-N	1	0	362.455	1.541	20	30		FDEDRO
CC(C)CCC[C@H](C)NC(=[NH2+])NCCS(=O)(=O)N1CCSCC1	ZINC000304763163	676544567	/nfs/dbraw/zinc/54/45/67/676544567.db2.gz	WNKCXBGGJSORBS-AWEZNQCLSA-N	1	0	364.581	1.484	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1	ZINC000305260588	676544983	/nfs/dbraw/zinc/54/49/83/676544983.db2.gz	NZDLJBUTOKFDSF-ZNMIVQPWSA-N	1	0	350.463	1.469	20	30		FDEDRO
COC(=O)CC[N@H+](CCC(=O)Nc1sccc1C#N)C[C@H]1CCCO1	ZINC000327246480	676590324	/nfs/dbraw/zinc/59/03/24/676590324.db2.gz	RSHTVDMVGBJTFI-CQSZACIVSA-N	1	0	365.455	1.992	20	30		FDEDRO
CCS(=O)(=O)NC1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1	ZINC000328614676	676599874	/nfs/dbraw/zinc/59/98/74/676599874.db2.gz	RFSDXRWXEWDHPC-UHFFFAOYSA-N	1	0	372.535	1.179	20	30		FDEDRO
CN(C)S(=O)(=O)c1cccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1	ZINC000328641761	676600545	/nfs/dbraw/zinc/60/05/45/676600545.db2.gz	DKBMNLPOZWFMBJ-HOTGVXAUSA-N	1	0	366.487	1.699	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)NC[C@@]2(N3CCOCC3)CCSC2)CC1	ZINC000328657398	676600881	/nfs/dbraw/zinc/60/08/81/676600881.db2.gz	OXXQBLHITXNVSA-KRWDZBQOSA-N	1	0	356.536	1.182	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CCCCCC1	ZINC000328673972	676601706	/nfs/dbraw/zinc/60/17/06/676601706.db2.gz	JMHFJDRBBDTCOZ-OAHLLOKOSA-N	1	0	374.551	1.569	20	30		FDEDRO
O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O	ZINC000328705161	676603047	/nfs/dbraw/zinc/60/30/47/676603047.db2.gz	PEYYLKPJVCUYQJ-YQQAZPJKSA-N	1	0	351.491	1.542	20	30		FDEDRO
Cc1nc(S(=O)(=O)NCC(=O)NC2CC[NH+](CC(C)C)CC2)cn1C	ZINC000328758235	676605504	/nfs/dbraw/zinc/60/55/04/676605504.db2.gz	VPRSYJOAXZSMBR-UHFFFAOYSA-N	1	0	371.507	1.084	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2csc(-c3nc[nH]n3)n2)C1	ZINC000328759708	676605723	/nfs/dbraw/zinc/60/57/23/676605723.db2.gz	WPUITXILAYBKDS-LLVKDONJSA-N	1	0	350.448	1.590	20	30		FDEDRO
C[NH+]1CCC(NC(=O)N2CCC(C(=O)Nc3nncs3)CC2)CC1	ZINC000328789412	676607055	/nfs/dbraw/zinc/60/70/55/676607055.db2.gz	PWXBNKGILGDACQ-UHFFFAOYSA-N	1	0	352.464	1.846	20	30		FDEDRO
CS(=O)(=O)N1CCC[C@@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1	ZINC000328847145	676609389	/nfs/dbraw/zinc/60/93/89/676609389.db2.gz	XXQKQJQISWNEQZ-MRXNPFEDSA-N	1	0	372.535	1.132	20	30		FDEDRO
CN1CCO[C@@H]2CCN(C(=O)CNC(=O)c3ccc(F)cc3F)C[C@@H]21	ZINC000328914825	676611892	/nfs/dbraw/zinc/61/18/92/676611892.db2.gz	QLDLHXWGWQRAQU-LSDHHAIUSA-N	1	0	353.369	1.201	20	30		FDEDRO
O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O	ZINC000329198575	676624684	/nfs/dbraw/zinc/62/46/84/676624684.db2.gz	URCBHYUEUJLPEQ-FJIDUMEYSA-N	1	0	351.491	1.779	20	30		FDEDRO
C[C@H](NC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O)C1=CC[N@H+](C)CC1	ZINC000329287727	676631139	/nfs/dbraw/zinc/63/11/39/676631139.db2.gz	HKFJMGFKOZCRRO-GOEBONIOSA-N	1	0	372.535	1.345	20	30		FDEDRO
CC[C@@H]1CN(C(=O)NC2CC[NH+](CC(C)C)CC2)C[C@@H](C)S1(=O)=O	ZINC000329308432	676632586	/nfs/dbraw/zinc/63/25/86/676632586.db2.gz	YVMBHHZVQXHWJY-GDBMZVCRSA-N	1	0	359.536	1.918	20	30		FDEDRO
C[NH+]1CCC(C)(CNC(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)CC1	ZINC000329362957	676635381	/nfs/dbraw/zinc/63/53/81/676635381.db2.gz	ZFMBKUWQIJFSRZ-GFCCVEGCSA-N	1	0	364.412	1.775	20	30		FDEDRO
CCC[NH+]1CCC(CNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)CC1	ZINC000329378103	676635982	/nfs/dbraw/zinc/63/59/82/676635982.db2.gz	MJUKJOLVGAUAQO-RCCFBDPRSA-N	1	0	353.507	1.884	20	30		FDEDRO
C[C@H](NC(=O)NC[C@@H]1CCCS(=O)(=O)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000329395012	676636924	/nfs/dbraw/zinc/63/69/24/676636924.db2.gz	VLNCXHRPKYBEOB-HRCADAONSA-N	1	0	371.547	1.968	20	30		FDEDRO
Cn1ccnc1CN1CCC(C(=O)NCCN2CCSCC2)CC1	ZINC000329405437	676637256	/nfs/dbraw/zinc/63/72/56/676637256.db2.gz	BTDOZPGHICZEAS-UHFFFAOYSA-N	1	0	351.520	1.637	20	30		FDEDRO
O=C(NCC1CC[NH+](C2CC2)CC1)N1CCN(CC(F)(F)F)C(=O)C1	ZINC000329411066	676637498	/nfs/dbraw/zinc/63/74/98/676637498.db2.gz	CBJBKOYVTGFJHR-UHFFFAOYSA-N	1	0	362.396	1.481	20	30		FDEDRO
Cc1nc([C@@H]2CCCN2C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)no1	ZINC000329411845	676637572	/nfs/dbraw/zinc/63/75/72/676637572.db2.gz	YEZDUESHTTXACP-HIFRSBDPSA-N	1	0	350.467	1.312	20	30		FDEDRO
C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000329446657	676639070	/nfs/dbraw/zinc/63/90/70/676639070.db2.gz	NXUMZKPTVHGRRG-JHJVBQTASA-N	1	0	362.396	1.622	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)NC[C@H]2CCCN2C)c2ccsc2S1(=O)=O	ZINC000329539608	676643313	/nfs/dbraw/zinc/64/33/13/676643313.db2.gz	CMQXIQPIZHOOAZ-LOWVWBTDSA-N	1	0	357.501	1.953	20	30		FDEDRO
C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1	ZINC000329600253	676645618	/nfs/dbraw/zinc/64/56/18/676645618.db2.gz	KBHQLYKJVRDFLL-KONPQCLYSA-N	1	0	369.531	1.750	20	30		FDEDRO
Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1	ZINC000329655883	676648062	/nfs/dbraw/zinc/64/80/62/676648062.db2.gz	MHPKTECMOGXCRG-MPKXVKKWSA-N	1	0	371.507	1.143	20	30		FDEDRO
C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1	ZINC000329676010	676648878	/nfs/dbraw/zinc/64/88/78/676648878.db2.gz	PINOSSWVEWEGEF-OKXMYEFYSA-N	1	0	370.563	1.300	20	30		FDEDRO
CC[N@H+](C)C[C@H]1CCN(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)C1	ZINC000329703178	676650588	/nfs/dbraw/zinc/65/05/88/676650588.db2.gz	IOLRWNLOAXFNLM-SFYCDEOASA-N	1	0	351.451	1.740	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCOCC2(CCOCC2)C1	ZINC000329731041	676652125	/nfs/dbraw/zinc/65/21/25/676652125.db2.gz	GLQQYUOFJHMUCW-MRXNPFEDSA-N	1	0	355.479	1.140	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)CC[N@@H+]1C	ZINC000329769154	676654542	/nfs/dbraw/zinc/65/45/42/676654542.db2.gz	HLLJXYGIIJIQMX-UMVBOHGHSA-N	1	0	351.472	1.891	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CC[C@]2(CCOC2)C1	ZINC000329793517	676656821	/nfs/dbraw/zinc/65/68/21/676656821.db2.gz	FRZJDPMEQLUQOT-LRDDRELGSA-N	1	0	353.444	1.423	20	30		FDEDRO
[O-]C(=[NH+][C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCn2c(nnc2C(F)(F)F)C1	ZINC000329801864	676657490	/nfs/dbraw/zinc/65/74/90/676657490.db2.gz	YWALRSUWKVCWLU-GHMZBOCLSA-N	1	0	358.368	1.653	20	30		FDEDRO
CCc1nsc(N2CCCN(C(=O)NC[C@H]3CCC[N@@H+]3C)CC2)n1	ZINC000329836388	676660086	/nfs/dbraw/zinc/66/00/86/676660086.db2.gz	VDKQKEPTITWJSD-CYBMUJFWSA-N	1	0	352.508	1.621	20	30		FDEDRO
O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N[C@H]1CCCS(=O)(=O)C1	ZINC000329848406	676660639	/nfs/dbraw/zinc/66/06/39/676660639.db2.gz	PPKAZBVNQAQOMV-KRWDZBQOSA-N	1	0	365.499	1.863	20	30		FDEDRO
CCC(=O)N1CC[C@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1	ZINC000329993756	676667905	/nfs/dbraw/zinc/66/79/05/676667905.db2.gz	LRDVVOAWNKTXHI-HNNXBMFYSA-N	1	0	352.479	1.146	20	30		FDEDRO
Cn1nc(CC(=O)NC[C@@]2([NH+](C)C)CCSC2)c2ccccc2c1=O	ZINC000330046305	676670266	/nfs/dbraw/zinc/67/02/66/676670266.db2.gz	IQLGICKGUSRWRH-SFHVURJKSA-N	1	0	360.483	1.870	20	30		FDEDRO
C[C@@H](CNC(=O)N1CC(=O)N(CC(F)(F)F)C1)[N@@H+]1CCC[C@@H](C)C1	ZINC000330113879	676673400	/nfs/dbraw/zinc/67/34/00/676673400.db2.gz	DIKXCJWYPMRVTA-NEPJUHHUSA-N	1	0	350.385	1.685	20	30		FDEDRO
CC(C)(C)S(=O)(=O)N1CCC(NC(=O)[C@H]2CCn3cncc3C2)CC1	ZINC000330219331	676679475	/nfs/dbraw/zinc/67/94/75/676679475.db2.gz	KBZWAANLUKJEBG-ZDUSSCGKSA-N	1	0	368.503	1.995	20	30		FDEDRO
C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)CC1=O	ZINC000330237808	676680010	/nfs/dbraw/zinc/68/00/10/676680010.db2.gz	HRWUXXULOKPUMK-CPUCHLNUSA-N	1	0	355.504	1.408	20	30		FDEDRO
CSc1nnc(CNC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)s1	ZINC000330240101	676680205	/nfs/dbraw/zinc/68/02/05/676680205.db2.gz	VUHUSKKMJZPCGK-NSHDSACASA-N	1	0	371.532	1.859	20	30		FDEDRO
CC(C)N1C[C@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1=O	ZINC000330260430	676681701	/nfs/dbraw/zinc/68/17/01/676681701.db2.gz	SPVUDKVUYYWMJY-OAHLLOKOSA-N	1	0	352.479	1.144	20	30		FDEDRO
CC1CC[NH+](C[C@@H](O)CNC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)CC1	ZINC000330336952	676684776	/nfs/dbraw/zinc/68/47/76/676684776.db2.gz	SUMAJEXNYRCHFV-ZMSDIMECSA-N	1	0	350.463	1.547	20	30		FDEDRO
CC1CC[NH+](CCCNC(=O)N2CCC(N(C)S(C)(=O)=O)CC2)CC1	ZINC000330435491	676690509	/nfs/dbraw/zinc/69/05/09/676690509.db2.gz	OWSFTGRSRQAICN-UHFFFAOYSA-N	1	0	374.551	1.378	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H](CNC(N)=O)C2)C1	ZINC000330474886	676692404	/nfs/dbraw/zinc/69/24/04/676692404.db2.gz	IIAJWSUDCBYZRE-LSDHHAIUSA-N	1	0	355.483	1.052	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)CC1	ZINC000330504119	676694522	/nfs/dbraw/zinc/69/45/22/676694522.db2.gz	DKCWGIUPZWARGK-HNNXBMFYSA-N	1	0	360.524	1.179	20	30		FDEDRO
CS[C@@H]1CN(C(=O)CNC(=O)Nc2cccc(C)c2)C[C@@H]1[NH+](C)C	ZINC000330648034	676699516	/nfs/dbraw/zinc/69/95/16/676699516.db2.gz	HRPBJCGHMPHEBD-LSDHHAIUSA-N	1	0	350.488	1.825	20	30		FDEDRO
C[NH2+]C(C)(C)CNC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F	ZINC000330679399	676700378	/nfs/dbraw/zinc/70/03/78/676700378.db2.gz	DJEXDXLRZOEFLD-UHFFFAOYSA-N	1	0	358.439	1.690	20	30		FDEDRO
CS[C@@H]1CN([C@H](C)C(=O)NC(=O)NC2CCCCC2)C[C@@H]1[NH+](C)C	ZINC000330677089	676700396	/nfs/dbraw/zinc/70/03/96/676700396.db2.gz	UTOACJJKALNYTA-VHDGCEQUSA-N	1	0	356.536	1.715	20	30		FDEDRO
C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1	ZINC000330690286	676700713	/nfs/dbraw/zinc/70/07/13/676700713.db2.gz	APIAOPWLJKLILR-VWYCJHECSA-N	1	0	353.385	1.696	20	30		FDEDRO
C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C1=CC[N@H+](C)CC1	ZINC000330775231	676703776	/nfs/dbraw/zinc/70/37/76/676703776.db2.gz	RZOKCEXHPLZOLD-ZDUSSCGKSA-N	1	0	351.472	1.892	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1c[nH]c(=O)c(Br)c1	ZINC000330913558	676710229	/nfs/dbraw/zinc/71/02/29/676710229.db2.gz	XQMRLGRHTUFILB-SNVBAGLBSA-N	1	0	357.252	1.490	20	30		FDEDRO
C[NH2+]C(C)(C)CNC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cn1	ZINC000331113669	676717254	/nfs/dbraw/zinc/71/72/54/676717254.db2.gz	JTIRJGZRPPQRPO-UHFFFAOYSA-N	1	0	369.491	1.580	20	30		FDEDRO
C[C@H](CNC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cn1)[NH+](C)C	ZINC000331124879	676717756	/nfs/dbraw/zinc/71/77/56/676717756.db2.gz	OIDUGSTYGSNJBT-CYBMUJFWSA-N	1	0	369.491	1.532	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(S(C)(=O)=O)nc2)C[C@H]1C	ZINC000331144233	676718528	/nfs/dbraw/zinc/71/85/28/676718528.db2.gz	GHEMSLXAXHQROJ-TZMCWYRMSA-N	1	0	354.476	1.835	20	30		FDEDRO
CSC1(CNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CCOCC1	ZINC000331153428	676718880	/nfs/dbraw/zinc/71/88/80/676718880.db2.gz	CLAXAGUORNKVCT-AWEZNQCLSA-N	1	0	359.536	1.590	20	30		FDEDRO
Cn1cc(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c(C(F)(F)F)n1	ZINC000331261645	676724617	/nfs/dbraw/zinc/72/46/17/676724617.db2.gz	CFYPTEIRSMNKRD-UHFFFAOYSA-N	1	0	362.400	1.791	20	30		FDEDRO
N#C[C@H]1CCC[C@@H]([NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)C1	ZINC000333326360	676768739	/nfs/dbraw/zinc/76/87/39/676768739.db2.gz	QHAUYFDEIHBQLO-GOEBONIOSA-N	1	0	355.504	1.632	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)c1C#N	ZINC000360700238	676872855	/nfs/dbraw/zinc/87/28/55/676872855.db2.gz	RXVRMSQSFMVDLF-HZPDHXFCSA-N	1	0	363.483	1.477	20	30		FDEDRO
N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]CCc2ccc(S(N)(=O)=O)cc2)O1	ZINC000360792626	676875615	/nfs/dbraw/zinc/87/56/15/676875615.db2.gz	MCVKPFGAJNVCCN-VDHUWJSZSA-N	1	0	363.483	1.706	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)CC1	ZINC000363588620	676964009	/nfs/dbraw/zinc/96/40/09/676964009.db2.gz	HNXHPWOAPKCOEY-LSDHHAIUSA-N	1	0	353.463	1.123	20	30		FDEDRO
CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1CCC(=O)Nc1sccc1C#N	ZINC000364338185	677008910	/nfs/dbraw/zinc/00/89/10/677008910.db2.gz	OQFMYCIKTTZRST-ZIAGYGMSSA-N	1	0	365.455	1.991	20	30		FDEDRO
O=C1NC(=O)[C@H]2C[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)CC[C@@H]12	ZINC000366336477	677435032	/nfs/dbraw/zinc/43/50/32/677435032.db2.gz	XLXRRRQOVMHRSR-KGLIPLIRSA-N	1	0	352.312	1.531	20	30		FDEDRO
N#CC1(CCC[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)CCOCC1	ZINC000366855233	677471038	/nfs/dbraw/zinc/47/10/38/677471038.db2.gz	WMXZIVYTICSCJU-INIZCTEOSA-N	1	0	355.504	1.587	20	30		FDEDRO
C#CCCS(=O)(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	ZINC000367956817	677497225	/nfs/dbraw/zinc/49/72/25/677497225.db2.gz	GXDJCKKIPIOIIV-OAHLLOKOSA-N	1	0	356.875	1.953	20	30		FDEDRO
O=C(C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000368331595	677499336	/nfs/dbraw/zinc/49/93/36/677499336.db2.gz	FKQHPNJLKHBPMU-ZSHCYNCHSA-N	1	0	352.356	1.343	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[NH2+]CC2)ccc1F	ZINC000368721371	677501369	/nfs/dbraw/zinc/50/13/69/677501369.db2.gz	GYEQWMFLHRQBRC-CYBMUJFWSA-N	1	0	355.435	1.162	20	30		FDEDRO
COCCC[N@@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1	ZINC000370405435	677573931	/nfs/dbraw/zinc/57/39/31/677573931.db2.gz	VPBQNDLCQQZQEX-UHFFFAOYSA-N	1	0	355.435	1.430	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1	ZINC000371624833	677745120	/nfs/dbraw/zinc/74/51/20/677745120.db2.gz	PBOMDZPEWMMTDI-FUHWJXTLSA-N	1	0	352.500	1.466	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@@H](C(=O)Nc2nccs2)C1	ZINC000373920957	678068724	/nfs/dbraw/zinc/06/87/24/678068724.db2.gz	JQVDRKYLDRTMJQ-NWDGAFQWSA-N	1	0	365.459	1.194	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC1CC[NH+](Cc2cccs2)CC1	ZINC000374402883	678078021	/nfs/dbraw/zinc/07/80/21/678078021.db2.gz	OILLONLEPCMCAM-CYBMUJFWSA-N	1	0	356.517	1.638	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[C@H](O)CC1)C(C)C	ZINC000422620453	680746864	/nfs/dbraw/zinc/74/68/64/680746864.db2.gz	SNQOOWCGKPLCRJ-ULQDDVLXSA-N	1	0	351.491	1.221	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2[C@@H]3CC[C@H]2C[C@H]([NH3+])C3)ccc1F	ZINC000375261171	678098689	/nfs/dbraw/zinc/09/86/89/678098689.db2.gz	WZYGOJMDHMDBPX-ZSOGYDGISA-N	1	0	367.446	1.384	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CCC[NH2+]CC2)ccc1F	ZINC000376147842	678231133	/nfs/dbraw/zinc/23/11/33/678231133.db2.gz	IXBOWUOFMITQOB-CQSZACIVSA-N	1	0	369.462	1.504	20	30		FDEDRO
C[C@@H]1CCOCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000376151769	678232399	/nfs/dbraw/zinc/23/23/99/678232399.db2.gz	PUIFFVCQPDRWEA-CVEARBPZSA-N	1	0	362.499	1.568	20	30		FDEDRO
CC(C)(CCC#N)CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000376768879	678376150	/nfs/dbraw/zinc/37/61/50/678376150.db2.gz	ZISYYWWECJGAER-INIZCTEOSA-N	1	0	351.495	1.022	20	30		FDEDRO
C=CCCOCCNC(=O)N1CCC(N2CC[NH+](CCC)CC2)CC1	ZINC000378273596	678732606	/nfs/dbraw/zinc/73/26/06/678732606.db2.gz	BNZLXFRGOYNKTB-UHFFFAOYSA-N	1	0	352.523	1.781	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1	ZINC000409473218	678846326	/nfs/dbraw/zinc/84/63/26/678846326.db2.gz	BIZWYCOSWDFZIM-MRXNPFEDSA-N	1	0	360.524	1.051	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC(OCCC[NH+](C)C)CC1	ZINC000409493275	678850970	/nfs/dbraw/zinc/85/09/70/678850970.db2.gz	ITBHVWHNMBSSOU-HNNXBMFYSA-N	1	0	360.524	1.145	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)NCc1ccc(OCC[NH+](C)C)cc1	ZINC000409545952	678857825	/nfs/dbraw/zinc/85/78/25/678857825.db2.gz	BDUBOJUOLPRPML-OAHLLOKOSA-N	1	0	368.503	1.443	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NCC1CC[NH+](Cc2ccccc2)CC1	ZINC000409588357	678864292	/nfs/dbraw/zinc/86/42/92/678864292.db2.gz	VEHLTIKZLZHWOP-UHFFFAOYSA-N	1	0	364.515	1.969	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)C1=O	ZINC000410098213	678878249	/nfs/dbraw/zinc/87/82/49/678878249.db2.gz	IYIFEQQRSZXJGL-YVSFHVDLSA-N	1	0	351.491	1.366	20	30		FDEDRO
C[C@H]([NH2+]C(C)(C)CNS(=O)(=O)N1CCO[C@H](C#N)C1)c1ccccc1	ZINC000410130112	678881322	/nfs/dbraw/zinc/88/13/22/678881322.db2.gz	JPPUXPQPWJOSGM-GOEBONIOSA-N	1	0	366.487	1.175	20	30		FDEDRO
COC(=O)[C@H]1CN(Cc2ccc(C#N)cc2Br)CC[N@H+](C)C1	ZINC000411916427	679096347	/nfs/dbraw/zinc/09/63/47/679096347.db2.gz	MOLYWXUNKDCJQD-CQSZACIVSA-N	1	0	366.259	1.857	20	30		FDEDRO
CCCCNS(=O)(=O)c1cccc(NC(=O)[C@@H]([NH3+])CCCC#N)c1	ZINC000424063591	680827877	/nfs/dbraw/zinc/82/78/77/680827877.db2.gz	IHIPAAGGPXUXAO-HNNXBMFYSA-N	1	0	352.460	1.725	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1	ZINC000424081950	680829009	/nfs/dbraw/zinc/82/90/09/680829009.db2.gz	ASXPDSRSNFYSRZ-CYBMUJFWSA-N	1	0	370.500	1.039	20	30		FDEDRO
COC(=O)[C@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccc(OC(F)F)cc1	ZINC000424169526	680831175	/nfs/dbraw/zinc/83/11/75/680831175.db2.gz	JUMHNZWYEYKZOK-CHWSQXEVSA-N	1	0	355.341	1.639	20	30		FDEDRO
C[NH+]1CCN(C[C@H](O)COc2cc(Br)ccc2C#N)CC1	ZINC000414146270	679331832	/nfs/dbraw/zinc/33/18/32/679331832.db2.gz	OUOOQXXLBNDBPV-AWEZNQCLSA-N	1	0	354.248	1.308	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)C(=O)NCC[C@H](C)[NH3+]	ZINC000415362548	679414510	/nfs/dbraw/zinc/41/45/10/679414510.db2.gz	PVUDIGDYELFPRF-JTQLQIEISA-N	1	0	370.247	1.806	20	30		FDEDRO
C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000415415130	679426724	/nfs/dbraw/zinc/42/67/24/679426724.db2.gz	QDEMZOMVVCILMC-SECBINFHSA-N	1	0	353.220	1.231	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc1	ZINC000415591306	679460016	/nfs/dbraw/zinc/46/00/16/679460016.db2.gz	AKBQLDLCUFIXJF-WWGRRREGSA-N	1	0	364.471	1.963	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1	ZINC000415594274	679460720	/nfs/dbraw/zinc/46/07/20/679460720.db2.gz	GBLQOCICARSHJF-TYNCELHUSA-N	1	0	350.444	1.492	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)ccc1Br	ZINC000415646097	679470973	/nfs/dbraw/zinc/47/09/73/679470973.db2.gz	MINWTDLYWIQKPC-MNOVXSKESA-N	1	0	365.231	1.645	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1Br	ZINC000415649239	679471415	/nfs/dbraw/zinc/47/14/15/679471415.db2.gz	PMCPVGXXHMETPW-WDEREUQCSA-N	1	0	365.231	1.645	20	30		FDEDRO
C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000415735071	679488724	/nfs/dbraw/zinc/48/87/24/679488724.db2.gz	YTZXRUFNQNZQEQ-UFBFGSQYSA-N	1	0	351.204	1.207	20	30		FDEDRO
CC(C)(C)c1csc(NC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)c1C#N	ZINC000415867546	679530339	/nfs/dbraw/zinc/53/03/39/679530339.db2.gz	WWICHQFSGVGYAH-LLVKDONJSA-N	1	0	364.471	1.432	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccc(CNS(=O)(=O)[C@H](C)C#N)cc2)CC1	ZINC000416370361	679588639	/nfs/dbraw/zinc/58/86/39/679588639.db2.gz	JYRRSOWZRJYMJW-OAHLLOKOSA-N	1	0	350.488	1.156	20	30		FDEDRO
C[N@H+](CCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C1CC1	ZINC000416508676	679643128	/nfs/dbraw/zinc/64/31/28/679643128.db2.gz	SBDGLMSSCXMJFX-UHFFFAOYSA-N	1	0	352.416	1.619	20	30		FDEDRO
C=CC[C@H](CO)CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1	ZINC000418557902	680089944	/nfs/dbraw/zinc/08/99/44/680089944.db2.gz	BFEVFWKACHETAS-DXCKQFNASA-N	1	0	353.413	1.894	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)c(Cl)c1	ZINC000418767130	680119952	/nfs/dbraw/zinc/11/99/52/680119952.db2.gz	NPHSRTADSTWFJU-AWEZNQCLSA-N	1	0	363.849	1.032	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSCc2ncc(C#N)cn2)C1	ZINC000419624178	680296228	/nfs/dbraw/zinc/29/62/28/680296228.db2.gz	GIGKDWOMMLJQGY-HNNXBMFYSA-N	1	0	363.487	1.054	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)[C@@H](C)C[NH2+]1	ZINC000420431259	680447349	/nfs/dbraw/zinc/44/73/49/680447349.db2.gz	XBAINAVZBQVRFF-UWVGGRQHSA-N	1	0	358.261	1.692	20	30		FDEDRO
CNC(=O)[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1	ZINC000420968390	680581504	/nfs/dbraw/zinc/58/15/04/680581504.db2.gz	BRUVXTDRDIEKEC-AWEZNQCLSA-N	1	0	362.861	1.963	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C1CCOCC1)C1(CO)CCC1	ZINC000425538450	680908535	/nfs/dbraw/zinc/90/85/35/680908535.db2.gz	JIXGNGFTCGGGPR-MAUKXSAKSA-N	1	0	351.491	1.542	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C1CCOCC1)C1(CO)CCC1	ZINC000425538453	680908558	/nfs/dbraw/zinc/90/85/58/680908558.db2.gz	JIXGNGFTCGGGPR-QAPCUYQASA-N	1	0	351.491	1.542	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1	ZINC000430394992	681075061	/nfs/dbraw/zinc/07/50/61/681075061.db2.gz	QBFQKJLYGJAXEK-IKGGRYGDSA-N	1	0	351.491	1.178	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC3(CC[NH2+]C3)CC2)c1	ZINC000431014416	681104165	/nfs/dbraw/zinc/10/41/65/681104165.db2.gz	NJRNMLKGKXWXHO-UHFFFAOYSA-N	1	0	363.483	1.367	20	30		FDEDRO
N#Cc1c(NC(=O)CC[NH2+][C@H](CO)[C@H]2CCCO2)sc2c1CCCC2	ZINC000447920911	682579440	/nfs/dbraw/zinc/57/94/40/682579440.db2.gz	ISTVSLQGKLYVND-HUUCEWRRSA-N	1	0	363.483	1.957	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C#N)c2Br)C1	ZINC000448932260	682649256	/nfs/dbraw/zinc/64/92/56/682649256.db2.gz	HNZSQXPBNFCFBA-GFCCVEGCSA-N	1	0	352.232	1.771	20	30		FDEDRO
CC1(C)CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC[NH2+]1	ZINC000450081447	682733254	/nfs/dbraw/zinc/73/32/54/682733254.db2.gz	LZSNXXCBUCNBPK-CYBMUJFWSA-N	1	0	360.845	1.775	20	30		FDEDRO
CCOC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)CC12COC2	ZINC000451136357	682826668	/nfs/dbraw/zinc/82/66/68/682826668.db2.gz	NLSOEFVNJDWZOW-ZDUSSCGKSA-N	1	0	363.439	1.460	20	30		FDEDRO
CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000451599143	682904723	/nfs/dbraw/zinc/90/47/23/682904723.db2.gz	NESDYNGPIQAYAU-CABCVRRESA-N	1	0	365.455	1.438	20	30		FDEDRO
C[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H](C)[N@H+]1CCO	ZINC000451653020	682913002	/nfs/dbraw/zinc/91/30/02/682913002.db2.gz	LQEAEQSGVLUXAH-BETUJISGSA-N	1	0	350.850	1.537	20	30		FDEDRO
COC[C@H]1CCC[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1	ZINC000452107303	683029827	/nfs/dbraw/zinc/02/98/27/683029827.db2.gz	SEJKXKWNOCYQQI-ZWKOTPCHSA-N	1	0	350.507	1.427	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cnc(C#N)c(Cl)c3)CC[C@@H]21	ZINC000453680284	683184145	/nfs/dbraw/zinc/18/41/45/683184145.db2.gz	VJGFUGBZTKCLRF-ABAIWWIYSA-N	1	0	361.833	1.488	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN(CCO)C[C@@H]1C)C(C)C	ZINC000457744628	683783195	/nfs/dbraw/zinc/78/31/95/683783195.db2.gz	KSYMHDBZZVOWCZ-ZWKOTPCHSA-N	1	0	352.523	1.393	20	30		FDEDRO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@H](O)[C@@H](CO)C3)sc2C1	ZINC000459711665	684448747	/nfs/dbraw/zinc/44/87/47/684448747.db2.gz	SVDDGQSMCIBFIH-JMSVASOKSA-N	1	0	363.483	1.358	20	30		FDEDRO
C[NH+](C)C1(CNS(=O)(=O)c2ccc(C#N)cc2)Cc2ccccc2C1	ZINC000462329540	684629625	/nfs/dbraw/zinc/62/96/25/684629625.db2.gz	XERWZZFTPQIPDU-UHFFFAOYSA-N	1	0	355.463	1.936	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1	ZINC000464195074	684727345	/nfs/dbraw/zinc/72/73/45/684727345.db2.gz	OZWMIMYWUKBQIA-OCCSQVGLSA-N	1	0	355.485	1.233	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N(C)Cc2nc([C@@H](C)OCC)no2)CC1	ZINC000465858741	684795936	/nfs/dbraw/zinc/79/59/36/684795936.db2.gz	KZBXMMKUJSMURK-CYBMUJFWSA-N	1	0	351.451	1.959	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N(C)Cc2nc([C@H](C)OCC)no2)CC1	ZINC000465858742	684795982	/nfs/dbraw/zinc/79/59/82/684795982.db2.gz	KZBXMMKUJSMURK-ZDUSSCGKSA-N	1	0	351.451	1.959	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCOC[C@@H]1C[C@@H](C)O)C(C)C	ZINC000467807445	684877659	/nfs/dbraw/zinc/87/76/59/684877659.db2.gz	YEZLRXNZZDMZQP-FGTMMUONSA-N	1	0	353.507	1.866	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2ccc(F)c(S(=O)(=O)NC)c2)CC1	ZINC000486547551	686909730	/nfs/dbraw/zinc/90/97/30/686909730.db2.gz	JQKMIIBHRREGOW-UHFFFAOYSA-N	1	0	370.450	1.506	20	30		FDEDRO
COC(=O)C1CC[NH+](CCCNC(=O)c2ncc(C#N)cc2Cl)CC1	ZINC000487654902	686993086	/nfs/dbraw/zinc/99/30/86/686993086.db2.gz	JGSLLSPBAFZTIJ-UHFFFAOYSA-N	1	0	364.833	1.612	20	30		FDEDRO
C[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000488807991	687060547	/nfs/dbraw/zinc/06/05/47/687060547.db2.gz	PVXNJHSKTBNQPE-OWCLPIDISA-N	1	0	362.499	1.160	20	30		FDEDRO
C=CCCCS(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	ZINC000489110393	687078655	/nfs/dbraw/zinc/07/86/55/687078655.db2.gz	XFHXIPJDZKPWJR-UHFFFAOYSA-N	1	0	371.547	1.597	20	30		FDEDRO
Cc1ncc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1C#N	ZINC000489721669	687112118	/nfs/dbraw/zinc/11/21/18/687112118.db2.gz	QXMQMHODWPIMCT-HNNXBMFYSA-N	1	0	350.488	1.908	20	30		FDEDRO
Cc1ncc(S(=O)(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1C#N	ZINC000489821249	687116100	/nfs/dbraw/zinc/11/61/00/687116100.db2.gz	XNPRLLYHEFZRPW-ZDUSSCGKSA-N	1	0	352.460	1.041	20	30		FDEDRO
COCC1(C#N)CCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1	ZINC000502905582	688317350	/nfs/dbraw/zinc/31/73/50/688317350.db2.gz	YYJBBHBUWYLIBJ-MRXNPFEDSA-N	1	0	352.479	1.449	20	30		FDEDRO
CSC[C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000505544469	688507876	/nfs/dbraw/zinc/50/78/76/688507876.db2.gz	DMYJNRVQRFAXBG-AWEZNQCLSA-N	1	0	362.499	1.316	20	30		FDEDRO
Cn1cc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)cc1C#N	ZINC000509411884	689266200	/nfs/dbraw/zinc/26/62/00/689266200.db2.gz	XLMKHSOSAIZZNZ-UHFFFAOYSA-N	1	0	370.837	1.757	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)[C@H](C)C1	ZINC000510146447	689350852	/nfs/dbraw/zinc/35/08/52/689350852.db2.gz	HXFHTMQGBQJAQQ-PMPSAXMXSA-N	1	0	360.524	1.192	20	30		FDEDRO
CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1cccc(C#N)c1	ZINC000510775207	689420138	/nfs/dbraw/zinc/42/01/38/689420138.db2.gz	CZVCTHAYJJGIRY-HZPDHXFCSA-N	1	0	364.471	1.337	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C	ZINC000511173358	689481121	/nfs/dbraw/zinc/48/11/21/689481121.db2.gz	VHJBARVNIKZNDN-QGZVFWFLSA-N	1	0	364.515	1.967	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCN(c2ccccc2Cl)C1=O	ZINC000514933685	689788167	/nfs/dbraw/zinc/78/81/67/689788167.db2.gz	VQFXHQZTSJSXLW-ZFWWWQNUSA-N	1	0	350.850	1.241	20	30		FDEDRO
CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@@H]([NH3+])CCCC#N	ZINC000516864097	689999331	/nfs/dbraw/zinc/99/93/31/689999331.db2.gz	OPPLCKOZXBDYTE-NSHDSACASA-N	1	0	368.235	1.262	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@H](C)n1cc(C[C@H]([NH3+])COC)nn1	ZINC000640928928	695645605	/nfs/dbraw/zinc/64/56/05/695645605.db2.gz	ISVGDKQYCVLTIF-KBPBESRZSA-N	1	0	363.487	1.632	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@H](C)n1cc(CC[C@H](O)C[NH3+])nn1	ZINC000640930284	695645767	/nfs/dbraw/zinc/64/57/67/695645767.db2.gz	RSXREDNYDYHLGG-ZFWWWQNUSA-N	1	0	363.487	1.368	20	30		FDEDRO
N#Cc1cnc(Cl)cc1C(F)(F)N1CC(=O)NC2(CC[NH2+]CC2)C1	ZINC001164391091	718809276	/nfs/dbraw/zinc/80/92/76/718809276.db2.gz	UMLGJDYJELZDSQ-UHFFFAOYSA-N	1	0	355.776	1.210	20	30		FDEDRO
CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccnc(Cl)c1C#N	ZINC001164618179	719013137	/nfs/dbraw/zinc/01/31/37/719013137.db2.gz	QOIBDDSZKYZZCF-ICCXJUOJSA-N	1	0	370.787	1.881	20	30		FDEDRO
Cc1nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cnc1C#N	ZINC001164832881	720332470	/nfs/dbraw/zinc/33/24/70/720332470.db2.gz	UQPBPLHTMPQAQY-MSOLQXFVSA-N	1	0	368.485	1.568	20	30		FDEDRO
N#Cc1nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)ccc1Cl	ZINC001164743004	720628096	/nfs/dbraw/zinc/62/80/96/720628096.db2.gz	NXXKFRHVKLXAEM-CHWSQXEVSA-N	1	0	356.817	1.739	20	30		FDEDRO
N#Cc1c(Cl)ccnc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164739170	720653595	/nfs/dbraw/zinc/65/35/95/720653595.db2.gz	FURBQVMQPNNMCN-STQMWFEESA-N	1	0	356.817	1.739	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3ncc(C#N)cc3Cl)CC[C@@H]2C1	ZINC001164851806	720836570	/nfs/dbraw/zinc/83/65/70/720836570.db2.gz	HYCIYRLMVTYCIM-ZBFHGGJFSA-N	1	0	350.850	1.780	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3nc4c(cc3C#N)CCC4)CC[C@@H]2C1	ZINC001164863052	720875947	/nfs/dbraw/zinc/87/59/47/720875947.db2.gz	SKJHRJHEXRAQPF-VQIMIIECSA-N	1	0	356.470	1.615	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC001022721710	782599039	/nfs/dbraw/zinc/59/90/39/782599039.db2.gz	YQDPGUPTUTXEDU-XUWVNRHRSA-N	1	0	358.417	1.158	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCC23CCC[NH+]2CCC3)cc1	ZINC000684846446	782681933	/nfs/dbraw/zinc/68/19/33/782681933.db2.gz	AFEBMCDUXMXFFT-UHFFFAOYSA-N	1	0	363.483	1.509	20	30		FDEDRO
C=C1CCC(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+][C@@H]2CCC(=O)NC2=O)CC1	ZINC001087208760	782691097	/nfs/dbraw/zinc/69/10/97/782691097.db2.gz	VNXMTYKLJSIBRA-HYVNUMGLSA-N	1	0	361.486	1.755	20	30		FDEDRO
C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCN(C)[C@H](C#N)C1	ZINC000274548907	768863381	/nfs/dbraw/zinc/86/33/81/768863381.db2.gz	WPGFXCRPVFKUCA-ZHALLVOQSA-N	1	0	369.513	1.992	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)CC)C[C@H]1C	ZINC001104223265	769055176	/nfs/dbraw/zinc/05/51/76/769055176.db2.gz	VCSLMQRXTOZEEQ-MRVWCRGKSA-N	1	0	365.927	1.141	20	30		FDEDRO
CC(C)(O)c1ccc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)cc1	ZINC000274733232	769711975	/nfs/dbraw/zinc/71/19/75/769711975.db2.gz	DCKQPKDOFDSVIN-UHFFFAOYSA-N	1	0	354.458	1.341	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ncc(Cl)s2)C[C@H]1C	ZINC001104411941	782776041	/nfs/dbraw/zinc/77/60/41/782776041.db2.gz	PCDBVFJCDSUPOT-VXGBXAGGSA-N	1	0	370.906	1.787	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc(OC)c2)C1	ZINC001022737138	782800322	/nfs/dbraw/zinc/80/03/22/782800322.db2.gz	QQVYTYFMAISNBE-CGHHPOIWSA-N	1	0	360.454	1.557	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2COc3ccccc3O2)C1	ZINC001022737370	782809202	/nfs/dbraw/zinc/80/92/02/782809202.db2.gz	WQBPMFDNARKQOL-NNXHMXCWSA-N	1	0	358.438	1.654	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ccc(C(N)=O)cc2)C1	ZINC000969683825	770637975	/nfs/dbraw/zinc/63/79/75/770637975.db2.gz	FTYVGEFKYQQYDH-ZMYBRWDISA-N	1	0	371.481	1.703	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@](C)(C(=O)NC)C2)cc1	ZINC000430262213	770863126	/nfs/dbraw/zinc/86/31/26/770863126.db2.gz	LGBQKBOSROOVPZ-FQEVSTJZSA-N	1	0	372.469	1.790	20	30		FDEDRO
CN1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](CCc3ccc(C#N)cc3)CC[C@@H]21	ZINC001208926190	770974930	/nfs/dbraw/zinc/97/49/30/770974930.db2.gz	CWFZZMXIBUSLBR-AABGKKOBSA-N	1	0	350.470	1.787	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc3oc(=O)n(C)c3c2)C1	ZINC001020604875	770983145	/nfs/dbraw/zinc/98/31/45/770983145.db2.gz	RVVIUXOZKUKTBI-ANQUJSFKSA-N	1	0	371.437	1.459	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc(OC)c2)C1	ZINC001020605617	770988226	/nfs/dbraw/zinc/98/82/26/770988226.db2.gz	QQVYTYFMAISNBE-YRGVVPAESA-N	1	0	360.454	1.557	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)cc1C#N	ZINC000969973963	771145718	/nfs/dbraw/zinc/14/57/18/771145718.db2.gz	YUSJWXGFXNFMLU-HLLBOEOZSA-N	1	0	370.453	1.159	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(N[C@@H]2CCCN(c3ncccn3)C2)=[NH+]C)C12CCC2	ZINC000176673239	782906187	/nfs/dbraw/zinc/90/61/87/782906187.db2.gz	YIUNBAABAAQUIJ-IXDOHACOSA-N	1	0	372.517	1.958	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ncc(Cl)n2C)C1	ZINC001020726645	771307955	/nfs/dbraw/zinc/30/79/55/771307955.db2.gz	PXUAVRWFDMWQOJ-QCQGSNGOSA-N	1	0	352.866	1.792	20	30		FDEDRO
COc1cc(/C=C/C(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)ccc1OCC#N	ZINC000275192197	771379358	/nfs/dbraw/zinc/37/93/58/771379358.db2.gz	FWCILWPBNPYVBK-MCXNIAKKSA-N	1	0	373.453	1.524	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1	ZINC000430390641	771742116	/nfs/dbraw/zinc/74/21/16/771742116.db2.gz	DSLUQFPAMQNNMC-KURKYZTESA-N	1	0	363.502	1.561	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CC3CCCC3)[C@@H]2C1	ZINC001020988838	771781360	/nfs/dbraw/zinc/78/13/60/771781360.db2.gz	VDYYOBNCEUIGHI-GBESFXJTSA-N	1	0	357.498	1.724	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(Cc3c(C)noc3C)C[C@@H]21	ZINC001083198852	771826530	/nfs/dbraw/zinc/82/65/30/771826530.db2.gz	UWDIMQXRAOFHSB-LAVFITLUSA-N	1	0	361.442	1.294	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]Cc2nnc(C(C)C)[nH]2)CC1	ZINC001167274217	771850389	/nfs/dbraw/zinc/85/03/89/771850389.db2.gz	MVWAWPIPTDKCDS-CABCVRRESA-N	1	0	361.490	1.895	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1	ZINC000655633381	772149052	/nfs/dbraw/zinc/14/90/52/772149052.db2.gz	NSZARVXVIHMNQW-OTVXOJSOSA-N	1	0	351.472	1.221	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C1)OCC	ZINC001104255396	772433177	/nfs/dbraw/zinc/43/31/77/772433177.db2.gz	OKVHFIKUFVDPNM-KZNAEPCWSA-N	1	0	356.507	1.441	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CNS(=O)(=O)CC)C[C@H]1C	ZINC001104257915	772458082	/nfs/dbraw/zinc/45/80/82/772458082.db2.gz	JAHIQLCBUDDSES-OWCLPIDISA-N	1	0	359.536	1.355	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)C[C@H]1C	ZINC001104259454	772499463	/nfs/dbraw/zinc/49/94/63/772499463.db2.gz	OGUNPIYRHKYILE-BRWVUGGUSA-N	1	0	351.491	1.132	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1nc(C)c3cccnc31)C2	ZINC001112484338	772624474	/nfs/dbraw/zinc/62/44/74/772624474.db2.gz	KJXHLROGHOQONJ-JXFKEZNVSA-N	1	0	351.454	1.591	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)C[C@H]1C	ZINC001104266569	772631992	/nfs/dbraw/zinc/63/19/92/772631992.db2.gz	NLXLPUCBTLACRX-HZPDHXFCSA-N	1	0	357.520	1.062	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CCN1c1cc[nH+]cc1	ZINC000890986128	772644379	/nfs/dbraw/zinc/64/43/79/772644379.db2.gz	GOZASZWSYRGFRC-CYBMUJFWSA-N	1	0	367.384	1.768	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CC#N)c2)CCN1c1cc[nH+]cc1	ZINC000890991256	772696156	/nfs/dbraw/zinc/69/61/56/772696156.db2.gz	UUWQGDRSCSZDCV-OAHLLOKOSA-N	1	0	363.421	1.823	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC)CC(F)F)C[C@H]1C	ZINC001104279606	772754908	/nfs/dbraw/zinc/75/49/08/772754908.db2.gz	GXOUONNSIDXXEL-QLFBSQMISA-N	1	0	357.445	1.491	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](C)COC)C2)CCOCC1	ZINC001104279914	772757316	/nfs/dbraw/zinc/75/73/16/772757316.db2.gz	UYCFNBNUVKGTMH-KZNAEPCWSA-N	1	0	350.503	1.916	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2conc2C(C)C)C[C@H]1C	ZINC001104286615	773040077	/nfs/dbraw/zinc/04/00/77/773040077.db2.gz	GLBOEDFHANWNMW-HUUCEWRRSA-N	1	0	362.474	1.788	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CC1	ZINC000892268752	783066325	/nfs/dbraw/zinc/06/63/25/783066325.db2.gz	YXWYPNZSDBVIDC-KRWDZBQOSA-N	1	0	357.433	1.671	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1	ZINC001021415196	773256936	/nfs/dbraw/zinc/25/69/36/773256936.db2.gz	KEFNDFNMPYYJPK-JCGIZDLHSA-N	1	0	369.469	1.434	20	30		FDEDRO
C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)NCC#C[C@H]3CCCCO3)cc21	ZINC000891112697	773295675	/nfs/dbraw/zinc/29/56/75/773295675.db2.gz	MXJJIIIGLBSIKP-MRXNPFEDSA-N	1	0	370.453	1.606	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCn1ncn(C)c1=O)C2	ZINC001112488967	773336248	/nfs/dbraw/zinc/33/62/48/773336248.db2.gz	DRFOBGJKDVUFLD-LPHOPBHVSA-N	1	0	361.490	1.156	20	30		FDEDRO
CCN(CCC#N)C(=O)C(=O)Nc1cccc([C@H](C)N2CCOCC2)c1	ZINC000275765634	773686648	/nfs/dbraw/zinc/68/66/48/773686648.db2.gz	VEFKGDCFULATNG-HNNXBMFYSA-N	1	0	358.442	1.780	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1occ3c1CCC3)C2	ZINC001112493305	773780529	/nfs/dbraw/zinc/78/05/29/773780529.db2.gz	VCMNFTUTHCUCBE-YWZLYKJASA-N	1	0	370.453	1.240	20	30		FDEDRO
N#Cc1c2c(cnc1-n1cnc(CN)cc1=N)CCN2Cc1ccccc1	ZINC001167354644	773785822	/nfs/dbraw/zinc/78/58/22/773785822.db2.gz	AZNSQEHVMZYKDL-UHFFFAOYSA-N	1	0	357.421	1.640	20	30		FDEDRO
N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ncc(Br)cc1Br	ZINC000834500851	773963812	/nfs/dbraw/zinc/96/38/12/773963812.db2.gz	XFOLQDVVFLWOHU-MUWHJKNJSA-N	1	0	374.036	1.448	20	30		FDEDRO
C=CCc1cc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)cc(OC)c1OC	ZINC000683910535	774217935	/nfs/dbraw/zinc/21/79/35/774217935.db2.gz	UXZZUNGLDYNNSM-FQEVSTJZSA-N	1	0	362.470	1.961	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N2CC[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@H]32)CC1	ZINC001021636751	774323447	/nfs/dbraw/zinc/32/34/47/774323447.db2.gz	XHGHBZYOKSZFKJ-FUHWJXTLSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1	ZINC001112496214	774332358	/nfs/dbraw/zinc/33/23/58/774332358.db2.gz	LUQWWGKBODWLJH-SXLOBPIMSA-N	1	0	368.518	1.442	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)COCCC)C[C@H]1c1ccccc1	ZINC001211551509	783177826	/nfs/dbraw/zinc/17/78/26/783177826.db2.gz	SJXUPBYHXUIAPD-NZSAHSFTSA-N	1	0	371.481	1.135	20	30		FDEDRO
C#CC1(NC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CCCC1	ZINC000891312031	774629153	/nfs/dbraw/zinc/62/91/53/774629153.db2.gz	BROBZDCSIKCNCD-UHFFFAOYSA-N	1	0	368.481	1.435	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1	ZINC000277758866	783205255	/nfs/dbraw/zinc/20/52/55/783205255.db2.gz	KGWGAJWIYZFHOW-SFHVURJKSA-N	1	0	368.485	1.802	20	30		FDEDRO
CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1cc(C)n(CCC#N)n1	ZINC000275972967	774781995	/nfs/dbraw/zinc/78/19/95/774781995.db2.gz	OLNJSQJGOIEFFS-UHFFFAOYSA-N	1	0	362.478	1.624	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](CC)[C@@H]2CCCCO2)CC1	ZINC000656311379	774907954	/nfs/dbraw/zinc/90/79/54/774907954.db2.gz	MGJOZQKAULWYNQ-IRXDYDNUSA-N	1	0	351.491	1.607	20	30		FDEDRO
Cc1cccc([C@@H]2C[C@H]2C(=O)NCCC2(C[NH2+]CC(=O)NCC#N)CC2)c1	ZINC001167437575	774942637	/nfs/dbraw/zinc/94/26/37/774942637.db2.gz	DCQXALHKWGDUIP-ZWKOTPCHSA-N	1	0	368.481	1.614	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)COCc2ccc(OC)nc2)C[C@H]1C	ZINC001104348608	776284069	/nfs/dbraw/zinc/28/40/69/776284069.db2.gz	KVFMAEHYRLVUQY-SJLPKXTDSA-N	1	0	359.470	1.704	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21	ZINC001021899124	776549099	/nfs/dbraw/zinc/54/90/99/776549099.db2.gz	IMANVUKLNLUKNH-IPMKNSEASA-N	1	0	357.498	1.722	20	30		FDEDRO
C=CCn1cc(C(=O)N2CCO[C@@H]3CN(Cc4cccc(C)c4)C[C@@H]32)nn1	ZINC001083217780	776593427	/nfs/dbraw/zinc/59/34/27/776593427.db2.gz	OINDDYPOEKXLPV-RBUKOAKNSA-N	1	0	367.453	1.498	20	30		FDEDRO
CN(C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[C@H]1CCC[N@H+](C)C1	ZINC000892713751	790487063	/nfs/dbraw/zinc/48/70/63/790487063.db2.gz	YLBMDSKZCYNZDU-KRWDZBQOSA-N	1	0	356.474	1.658	20	30		FDEDRO
Cc1nsc(N(C)C(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c1C#N	ZINC000891424029	777015024	/nfs/dbraw/zinc/01/50/24/777015024.db2.gz	QDFCAUKZUKCGQD-ZFWWWQNUSA-N	1	0	358.471	1.755	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cn(-c3ccc(OC)cc3)nn2)CC1	ZINC000933352404	777501143	/nfs/dbraw/zinc/50/11/43/777501143.db2.gz	BBEYUHZMTGGZAW-UHFFFAOYSA-N	1	0	353.426	1.493	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCn3ccnc3C2)C[C@H]1C	ZINC001104367555	777952838	/nfs/dbraw/zinc/95/28/38/777952838.db2.gz	YLBYEIGILRMVLP-FGTMMUONSA-N	1	0	360.502	1.722	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)Cn2cc(C3CC3)cn2)C[C@H]1C	ZINC001104368348	777990740	/nfs/dbraw/zinc/99/07/40/777990740.db2.gz	MJJAMBVRFJFLBS-SJLPKXTDSA-N	1	0	358.486	1.485	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2ncn(C)n2)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087161991	778004574	/nfs/dbraw/zinc/00/45/74/778004574.db2.gz	JQSVODXLDNAIMP-PBHICJAKSA-N	1	0	352.442	1.717	20	30		FDEDRO
C#CCNC(=O)CC[NH+]1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2	ZINC000933462630	778197866	/nfs/dbraw/zinc/19/78/66/778197866.db2.gz	BQGLHXIJPDMPIG-UHFFFAOYSA-N	1	0	365.474	1.228	20	30		FDEDRO
Cc1cc(C)nc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)c1	ZINC001104373598	778303670	/nfs/dbraw/zinc/30/36/70/778303670.db2.gz	ZHFOZSSZEOHAKV-GDBMZVCRSA-N	1	0	357.458	1.026	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1	ZINC000891556003	778304286	/nfs/dbraw/zinc/30/42/86/778304286.db2.gz	CTSBYYQKRLRSEV-KBPBESRZSA-N	1	0	355.360	1.977	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccn3nnnc3c1)C2	ZINC001112507006	778750608	/nfs/dbraw/zinc/75/06/08/778750608.db2.gz	RJKWXQNNURYVPC-LPHOPBHVSA-N	1	0	354.458	1.922	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CSC)C[C@H]1c1ccccc1	ZINC001211522564	779114738	/nfs/dbraw/zinc/11/47/38/779114738.db2.gz	XAZDJATWNVPXEY-HYVNUMGLSA-N	1	0	359.495	1.072	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N[C@@H](C)CN2CCN(c3ccccn3)CC2)[N@H+](C)C1	ZINC000328921034	779343289	/nfs/dbraw/zinc/34/32/89/779343289.db2.gz	BJZNTSNOJIZKGC-ULQDDVLXSA-N	1	0	361.490	1.268	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]32)cc1	ZINC001022334314	779429154	/nfs/dbraw/zinc/42/91/54/779429154.db2.gz	PUISTPBFIDRZIQ-IPMKNSEASA-N	1	0	353.466	1.681	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCCO4)[C@@H]3C2)cc1C#N	ZINC001075525908	790717450	/nfs/dbraw/zinc/71/74/50/790717450.db2.gz	WKZYQFOGOOLMOG-KVSKMBFKSA-N	1	0	355.438	1.779	20	30		FDEDRO
C#CCN(C(=O)C(=O)NC1CC2(C1)COC(C)(C)C2)C1CC[NH+](C)CC1	ZINC000933779908	779641782	/nfs/dbraw/zinc/64/17/82/779641782.db2.gz	SLDMDJNVUFNALI-UHFFFAOYSA-N	1	0	361.486	1.006	20	30		FDEDRO
CC(C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1)[NH+](C)C	ZINC000971848128	779961775	/nfs/dbraw/zinc/96/17/75/779961775.db2.gz	QAQZPYRCDLRGSS-KBRIMQKVSA-N	1	0	357.458	1.145	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCCCOC)C1	ZINC001112508283	780203313	/nfs/dbraw/zinc/20/33/13/780203313.db2.gz	XYBIESTWIPFDCE-JXFKEZNVSA-N	1	0	365.518	1.570	20	30		FDEDRO
C#C[C@H]1COCCN1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-]	ZINC000934039947	780636635	/nfs/dbraw/zinc/63/66/35/780636635.db2.gz	FNRBJNDCINTURQ-AWEZNQCLSA-N	1	0	373.413	1.213	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnc3c(c2)NC(=O)CO3)C[C@H]1C	ZINC001104390081	780657276	/nfs/dbraw/zinc/65/72/76/780657276.db2.gz	GMINHYQGFPHHEQ-ZIAGYGMSSA-N	1	0	356.426	1.124	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)Cc4ccoc4)[C@@H]3C2)CC1	ZINC000971909075	780853345	/nfs/dbraw/zinc/85/33/45/780853345.db2.gz	ZDXLHPXUPUNPMO-RTBURBONSA-N	1	0	369.465	1.227	20	30		FDEDRO
CCC1([NH+]2CCC2)CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)CC1	ZINC000891968790	780894290	/nfs/dbraw/zinc/89/42/90/780894290.db2.gz	XXXOHEGRLKRQBG-UHFFFAOYSA-N	1	0	372.473	1.521	20	30		FDEDRO
C[C@@H](NC(=O)N1CCN(c2ccc(F)cc2C#N)CC1)[C@H]1CCC[NH2+]C1	ZINC000891979697	781019253	/nfs/dbraw/zinc/01/92/53/781019253.db2.gz	AYKLQMHXTDFAKX-CABCVRRESA-N	1	0	359.449	1.917	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1C	ZINC001104397172	781243174	/nfs/dbraw/zinc/24/31/74/781243174.db2.gz	BAGMIJYJLDZHPF-TZMCWYRMSA-N	1	0	355.866	1.352	20	30		FDEDRO
C[C@]1(C#N)CN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CCO1	ZINC000892026005	781259433	/nfs/dbraw/zinc/25/94/33/781259433.db2.gz	XEOXBXQMYOSIJH-INIZCTEOSA-N	1	0	352.504	1.672	20	30		FDEDRO
O=C(CNC(=O)NCC#Cc1cccc(F)c1)NCC[NH+]1CCCCCC1	ZINC000431311126	781534602	/nfs/dbraw/zinc/53/46/02/781534602.db2.gz	GPSFIEZFHBUKFQ-UHFFFAOYSA-N	1	0	374.460	1.469	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2COc3ccccc3C2)C[C@H]1C	ZINC001104399265	781759631	/nfs/dbraw/zinc/75/96/31/781759631.db2.gz	AOOJROLSFQBMFS-MISYRCLQSA-N	1	0	370.493	1.962	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(OCC(N)=O)cc2)C[C@H]1C	ZINC001104399365	781776573	/nfs/dbraw/zinc/77/65/73/781776573.db2.gz	GEHDABQQUSITRQ-NVXWUHKLSA-N	1	0	357.454	1.262	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+][C@@H]2CCCNC2=O)cc1	ZINC001087197330	781827870	/nfs/dbraw/zinc/82/78/70/781827870.db2.gz	JKLYJQDNXKKCGO-AYOQOUSVSA-N	1	0	353.466	1.777	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)CC2)CC1	ZINC001075452628	783302376	/nfs/dbraw/zinc/30/23/76/783302376.db2.gz	MJBIOOODXXVRGS-ZIFCJYIRSA-N	1	0	359.514	1.875	20	30		FDEDRO
N#Cc1nc(NCC(=O)NCC[NH+]2CCCCCC2)ccc1C(F)(F)F	ZINC000431473580	783362667	/nfs/dbraw/zinc/36/26/67/783362667.db2.gz	RLIBLFHHMVUQGH-UHFFFAOYSA-N	1	0	369.391	2.376	20	30		FDEDRO
C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000892285997	783405932	/nfs/dbraw/zinc/40/59/32/783405932.db2.gz	WXDIOVFEJCXJNT-ZDUSSCGKSA-N	1	0	367.384	1.768	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N2CCO[C@@H]3CN(Cc4cccc(C#N)c4)C[C@@H]32)C1	ZINC001083248129	783426976	/nfs/dbraw/zinc/42/69/76/783426976.db2.gz	SGHKIMHBKBBVJA-SLFFLAALSA-N	1	0	368.481	1.312	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)C(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)C1=O	ZINC000685012050	783544048	/nfs/dbraw/zinc/54/40/48/783544048.db2.gz	OKAJBYORNUPJON-MRXNPFEDSA-N	1	0	374.489	1.709	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCn2c(C)csc2=O)C1	ZINC000972375632	783544564	/nfs/dbraw/zinc/54/45/64/783544564.db2.gz	JMQGYXRALHWYNU-XHSDSOJGSA-N	1	0	365.499	1.342	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2cccc(C(=O)NC)c2)C1	ZINC000972375613	783544623	/nfs/dbraw/zinc/54/46/23/783544623.db2.gz	IUPSZTPXKXKWTP-OTWHNJEPSA-N	1	0	371.481	1.670	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cc1	ZINC000658123112	783678536	/nfs/dbraw/zinc/67/85/36/783678536.db2.gz	IASHDFNANIRWQE-MRXNPFEDSA-N	1	0	372.469	1.530	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC000658488682	784169354	/nfs/dbraw/zinc/16/93/54/784169354.db2.gz	VOSZLTAUSQEMCE-IBGZPJMESA-N	1	0	371.481	1.259	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)C1	ZINC000658539294	784246033	/nfs/dbraw/zinc/24/60/33/784246033.db2.gz	VHYGYSDTGVRNDX-INIZCTEOSA-N	1	0	372.469	1.554	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1	ZINC001024462925	784776098	/nfs/dbraw/zinc/77/60/98/784776098.db2.gz	YTTDPDBEWOMHFE-MBOZVWFJSA-N	1	0	370.453	1.547	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCCCNC(N)=O)C[C@H]1c1ccccc1	ZINC001211631764	784894500	/nfs/dbraw/zinc/89/45/00/784894500.db2.gz	MZRSBJUYMTVWCY-ZWKOTPCHSA-N	1	0	356.470	1.433	20	30		FDEDRO
C[N@H+](CC(=O)Nc1ccc(C#N)cc1)C1CCN(c2cnccn2)CC1	ZINC000364809471	785190146	/nfs/dbraw/zinc/19/01/46/785190146.db2.gz	CYPOLKRPWIUUMH-UHFFFAOYSA-N	1	0	350.426	1.888	20	30		FDEDRO
NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCCN2CC#Cc2ccccc2)O1	ZINC001024650976	785620187	/nfs/dbraw/zinc/62/01/87/785620187.db2.gz	RXUDGWHSJRSZLA-GBESFXJTSA-N	1	0	369.465	1.042	20	30		FDEDRO
CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC001024702191	785769707	/nfs/dbraw/zinc/76/97/07/785769707.db2.gz	PUZOADJDHCAIKD-WSTZPKSXSA-N	1	0	368.481	1.595	20	30		FDEDRO
N#Cc1ccsc1NC(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1	ZINC000511951735	805646345	/nfs/dbraw/zinc/64/63/45/805646345.db2.gz	GXJVHZYXLKXNOI-UHFFFAOYSA-N	1	0	369.450	1.734	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COC[C@H]2CCOC2)C[C@H]1c1ccccc1	ZINC001211682146	805657885	/nfs/dbraw/zinc/65/78/85/805657885.db2.gz	MBTFLTAIFOBUKO-YSIASYRMSA-N	1	0	356.466	1.647	20	30		FDEDRO
C=C(Br)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@@H]2C1	ZINC000978711152	805686716	/nfs/dbraw/zinc/68/67/16/805686716.db2.gz	QACBDACHUQRDSZ-ITGHMWBKSA-N	1	0	370.291	1.091	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCCC(=O)N1)C2	ZINC001112528305	805688505	/nfs/dbraw/zinc/68/85/05/805688505.db2.gz	WAOWUAYAFVZRKV-ZWOKBUDYSA-N	1	0	363.502	1.466	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3c(C)noc3CC)C[C@H]21	ZINC000978736640	805708158	/nfs/dbraw/zinc/70/81/58/805708158.db2.gz	YLAAXVNOTDWELG-XQZMSQOBSA-N	1	0	359.470	1.931	20	30		FDEDRO
C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21	ZINC000978727135	805715413	/nfs/dbraw/zinc/71/54/13/805715413.db2.gz	HFBZNFMEIIJYLJ-SBUWESJJSA-N	1	0	356.441	1.896	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1	ZINC000376310982	787224953	/nfs/dbraw/zinc/22/49/53/787224953.db2.gz	KZMDWINARHLZKJ-LZLYRXPVSA-N	1	0	367.449	1.580	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1	ZINC000936116635	787285465	/nfs/dbraw/zinc/28/54/65/787285465.db2.gz	OMZCCJWMXFGCNR-ZACQAIPSSA-N	1	0	363.502	1.559	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)nc1	ZINC000892604223	787620148	/nfs/dbraw/zinc/62/01/48/787620148.db2.gz	DCUFZENISLKRQL-BJWYYQGGSA-N	1	0	354.458	1.315	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCOCC)C1	ZINC001104562756	787916957	/nfs/dbraw/zinc/91/69/57/787916957.db2.gz	FIMHYIFWSQRDGR-FGTMMUONSA-N	1	0	367.534	1.816	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)cc1	ZINC000659107250	788039861	/nfs/dbraw/zinc/03/98/61/788039861.db2.gz	RYPBLCWOAJPJMV-OAHLLOKOSA-N	1	0	361.446	1.422	20	30		FDEDRO
CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1	ZINC000376493533	788048152	/nfs/dbraw/zinc/04/81/52/788048152.db2.gz	AGJYKSKTMCOMEK-YSIASYRMSA-N	1	0	357.454	1.773	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1	ZINC000978867248	805853033	/nfs/dbraw/zinc/85/30/33/805853033.db2.gz	RCOQBYJABBZUQJ-SFFUCWETSA-N	1	0	363.502	1.320	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1	ZINC001104572832	788177060	/nfs/dbraw/zinc/17/70/60/788177060.db2.gz	UFEPTCUNYLCYIB-ATZDWAIDSA-N	1	0	368.481	1.753	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccoc2C2CC2)C[C@H]1C	ZINC001104585803	788722215	/nfs/dbraw/zinc/72/22/15/788722215.db2.gz	XYXSKVNZWALCSL-GDBMZVCRSA-N	1	0	357.454	1.594	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCN(CC(F)(F)F)C2)C[C@H]1C	ZINC001104590213	788769241	/nfs/dbraw/zinc/76/92/41/788769241.db2.gz	IQUNMXLXDMTATI-BZUAXINKSA-N	1	0	359.436	1.968	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1	ZINC001104594957	788786845	/nfs/dbraw/zinc/78/68/45/788786845.db2.gz	XKRFNPURXZBVHW-RHSMWYFYSA-N	1	0	365.437	1.530	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccccc2CC)C[C@H]1C	ZINC001104600102	788834280	/nfs/dbraw/zinc/83/42/80/788834280.db2.gz	UFBRKBQQRGCOAE-SJLPKXTDSA-N	1	0	355.482	1.686	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2CCC(OC)CC2)C[C@H]1C	ZINC001104601457	788839121	/nfs/dbraw/zinc/83/91/21/788839121.db2.gz	OBHJRTYOGOGPBE-RZZCCWGQSA-N	1	0	365.518	1.568	20	30		FDEDRO
CC1(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(=O)NCC#N)C2)CCCC1	ZINC001211645305	788875308	/nfs/dbraw/zinc/87/53/08/788875308.db2.gz	YETKYKBQJQLIJG-ZWKOTPCHSA-N	1	0	368.481	1.791	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCN3CCNC3=O)C2)CC1	ZINC001104631318	789058262	/nfs/dbraw/zinc/05/82/62/789058262.db2.gz	JGBCWZGLFITLNZ-IAGOWNOFSA-N	1	0	362.518	1.832	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCC)C2)c1	ZINC001104659401	789180988	/nfs/dbraw/zinc/18/09/88/789180988.db2.gz	JQEQHXBCONIJKY-NVXWUHKLSA-N	1	0	356.470	1.277	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC=C)C2)c1	ZINC001104659635	789181924	/nfs/dbraw/zinc/18/19/24/789181924.db2.gz	QFEPTMIDPAPROO-NVXWUHKLSA-N	1	0	354.454	1.053	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cn(CC)nn3)C2)c1	ZINC001104659407	789181983	/nfs/dbraw/zinc/18/19/83/789181983.db2.gz	JTKSLECUPNAIRL-NVXWUHKLSA-N	1	0	366.469	1.562	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](CCCC)C(N)=O)C2)c1	ZINC001104659707	789209870	/nfs/dbraw/zinc/20/98/70/789209870.db2.gz	UOEMAAPHCANWFB-SUMDDJOVSA-N	1	0	370.497	1.795	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1	ZINC001104698846	789495680	/nfs/dbraw/zinc/49/56/80/789495680.db2.gz	PQNMDJJXIDRUKG-CRAIPNDOSA-N	1	0	366.469	1.883	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cc(OC)no2)C1	ZINC001104699347	789519033	/nfs/dbraw/zinc/51/90/33/789519033.db2.gz	OPQVDPNPQSDOKE-SRABZTEZSA-N	1	0	363.458	1.849	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCc2cnn(C)c2)C1	ZINC001104699846	789520784	/nfs/dbraw/zinc/52/07/84/789520784.db2.gz	NENFOVZKXLIWRQ-OWYHZJEWSA-N	1	0	360.502	1.628	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(CF)CCC2)C[C@H]1C	ZINC001104699772	789520971	/nfs/dbraw/zinc/52/09/71/789520971.db2.gz	KBOCASYKNWNSRR-OWCLPIDISA-N	1	0	351.466	1.338	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3nnnn3CC2)C[C@H]1C	ZINC001104708749	789580624	/nfs/dbraw/zinc/58/06/24/789580624.db2.gz	NMNMSNJOQOHROJ-IXDOHACOSA-N	1	0	360.506	1.666	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(C(C)C)n[nH]2)C[C@H]1C	ZINC001104710156	789644337	/nfs/dbraw/zinc/64/43/37/789644337.db2.gz	VKIZXMOJVKOEEH-HUUCEWRRSA-N	1	0	361.490	1.523	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccncc2Cl)C[C@H]1C	ZINC001104717507	789678674	/nfs/dbraw/zinc/67/86/74/789678674.db2.gz	CMFPRIUOUODKIZ-ZIAGYGMSSA-N	1	0	362.861	1.172	20	30		FDEDRO
C=CCOc1ccc(CNC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1	ZINC000377197930	791233092	/nfs/dbraw/zinc/23/30/92/791233092.db2.gz	PRIIBBMYUCDHON-RTBURBONSA-N	1	0	359.470	1.992	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC[C@H]2CCCCO2)C[C@H]1C	ZINC001104744596	791233700	/nfs/dbraw/zinc/23/37/00/791233700.db2.gz	SHIHCWZEPHKFPG-KZNAEPCWSA-N	1	0	365.518	1.712	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNC(=O)NCc2nc(C#N)cs2)CC1	ZINC000892885131	791552290	/nfs/dbraw/zinc/55/22/90/791552290.db2.gz	UGCRBEHKLHWTFX-UHFFFAOYSA-N	1	0	351.476	1.703	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CC23CCN(c2cnc(C#N)cn2)CC3)CC[N@@H+]1C	ZINC001058655622	791693073	/nfs/dbraw/zinc/69/30/73/791693073.db2.gz	DSVCBEMVJLLDLG-BBWFWOEESA-N	1	0	368.485	1.554	20	30		FDEDRO
COc1cc(CNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)ccc1C#N	ZINC000415236993	791713662	/nfs/dbraw/zinc/71/36/62/791713662.db2.gz	HCDDVEOBPOCECQ-UHFFFAOYSA-N	1	0	364.405	1.467	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC2CCC([NH3+])CC2)ccc1OC(F)(F)F	ZINC000415359569	792060999	/nfs/dbraw/zinc/06/09/99/792060999.db2.gz	RTMXHYWAKIMMHT-UHFFFAOYSA-N	1	0	370.331	1.781	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C2CCS(=O)(=O)CC2)C[C@H]1C	ZINC001104748356	792172658	/nfs/dbraw/zinc/17/26/58/792172658.db2.gz	NQSGDJSZPFNALJ-IUODEOHRSA-N	1	0	362.923	1.638	20	30		FDEDRO
CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000415486124	792353370	/nfs/dbraw/zinc/35/33/70/792353370.db2.gz	KQNLSRKNSSIAKI-UHFFFAOYSA-N	1	0	364.449	1.863	20	30		FDEDRO
C[C@]1(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(=O)NCC#N)C2)C=CCC1	ZINC001211650306	792374807	/nfs/dbraw/zinc/37/48/07/792374807.db2.gz	CLASUMCFARWYQU-UEXGIBASSA-N	1	0	366.465	1.567	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)[C@H](C)C[NH2+]1	ZINC000415577243	792580399	/nfs/dbraw/zinc/58/03/99/792580399.db2.gz	YXTJJBBMJXZRIX-NXEZZACHSA-N	1	0	370.331	1.604	20	30		FDEDRO
C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1	ZINC000415578581	792590908	/nfs/dbraw/zinc/59/09/08/792590908.db2.gz	PFKTXZKXIZMKQN-WBVHZDCISA-N	1	0	362.433	1.616	20	30		FDEDRO
CCCc1c(NC(=O)N2CCO[C@H](C[NH3+])C2)cnn1-c1cccc(C#N)c1	ZINC000415582819	792603334	/nfs/dbraw/zinc/60/33/34/792603334.db2.gz	UVYJVWFPHOEBBA-MRXNPFEDSA-N	1	0	368.441	1.888	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(N(C)C(C)=O)cc3)[C@H]2C1	ZINC001083288206	792847398	/nfs/dbraw/zinc/84/73/98/792847398.db2.gz	UFCGASXTUYJXQP-RBUKOAKNSA-N	1	0	357.454	1.771	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)NCC2(COC)CC[NH2+]CC2)c1	ZINC000415705109	792855652	/nfs/dbraw/zinc/85/56/52/792855652.db2.gz	KWWMBFWYNIUJSA-UHFFFAOYSA-N	1	0	361.442	1.322	20	30		FDEDRO
O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1	ZINC000415751100	792910047	/nfs/dbraw/zinc/91/00/47/792910047.db2.gz	VOYWIEXIIXLEQB-ZWKOTPCHSA-N	1	0	374.444	1.488	20	30		FDEDRO
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N(C)C2CC([NH3+])C2)c1C	ZINC000415801731	793018006	/nfs/dbraw/zinc/01/80/06/793018006.db2.gz	FPMGNBCMSUBXMR-UHFFFAOYSA-N	1	0	366.425	1.247	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NCCC[C@H]2CCC[NH2+]2)c1	ZINC000415810624	793038845	/nfs/dbraw/zinc/03/88/45/793038845.db2.gz	XRNQRQYLGKZIHX-GFCCVEGCSA-N	1	0	366.368	1.747	20	30		FDEDRO
N#Cc1cccc(-c2csc(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)n2)c1	ZINC000415812384	793044435	/nfs/dbraw/zinc/04/44/35/793044435.db2.gz	DCRKBHSXVKRWDK-HIFRSBDPSA-N	1	0	367.434	1.441	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2cccnc2)C1=O	ZINC001026062231	793048565	/nfs/dbraw/zinc/04/85/65/793048565.db2.gz	BJPDJSFELZMAPC-UDFCFZJOSA-N	1	0	366.465	1.018	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1	ZINC000415875791	793254968	/nfs/dbraw/zinc/25/49/68/793254968.db2.gz	ZRMBLXRDTZIOHO-QLFBSQMISA-N	1	0	356.426	1.400	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN([C@@H](C)c3nnc(CC)o3)C[C@H]21	ZINC001026101803	793302316	/nfs/dbraw/zinc/30/23/16/793302316.db2.gz	IGGWARIRMWZCHI-FBZYFPJBSA-N	1	0	360.458	1.721	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN([C@@H](C)c3nc(CC)no3)C[C@H]21	ZINC001026101816	793302572	/nfs/dbraw/zinc/30/25/72/793302572.db2.gz	JTMYHOCJCGHLDO-FBZYFPJBSA-N	1	0	360.458	1.721	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21	ZINC001026101956	793303937	/nfs/dbraw/zinc/30/39/37/793303937.db2.gz	ZWKJSVADNKIOBD-MNWMBMHPSA-N	1	0	361.486	1.023	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3C(=O)Nc4ccccc43)[C@H]2C1	ZINC001083290254	793336897	/nfs/dbraw/zinc/33/68/97/793336897.db2.gz	PNIQYPXTZOLWLU-RYQLBKOJSA-N	1	0	353.422	1.047	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC2)c(F)c1	ZINC000416013754	793491489	/nfs/dbraw/zinc/49/14/89/793491489.db2.gz	UNWBLUNQXOZPLS-AWEZNQCLSA-N	1	0	373.354	1.809	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](NC(=O)COC)C(C)C)C[C@H]1C	ZINC001104761342	793532093	/nfs/dbraw/zinc/53/20/93/793532093.db2.gz	FOWDXSAVBBPAKQ-NUJGCVRESA-N	1	0	353.507	1.424	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC[C@H]3CCCO3)C2)nn1	ZINC001104769107	793554384	/nfs/dbraw/zinc/55/43/84/793554384.db2.gz	DKFRPQQXWWMRJA-BRWVUGGUSA-N	1	0	361.490	1.721	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cncn3C)C2)nn1	ZINC001104769196	793554907	/nfs/dbraw/zinc/55/49/07/793554907.db2.gz	IVXVUWFFGGWUQQ-HUUCEWRRSA-N	1	0	357.462	1.086	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnn(C)n2)C1	ZINC001104782831	793634550	/nfs/dbraw/zinc/63/45/50/793634550.db2.gz	WFPUVKMCVIWJBV-LMSBXDPUSA-N	1	0	361.490	1.371	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000378263395	793822534	/nfs/dbraw/zinc/82/25/34/793822534.db2.gz	VASGIDNCRKMTTO-JNAXZKDPSA-N	1	0	352.438	1.733	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1CC[NH2+]Cc1cc(C#N)ccc1F	ZINC001104810378	793826145	/nfs/dbraw/zinc/82/61/45/793826145.db2.gz	OVTZHDFFWLSQRY-TZMCWYRMSA-N	1	0	356.405	1.703	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnon2)C[C@H]1CC[NH2+]CC#Cc1ccc(F)cc1	ZINC001104816589	793871029	/nfs/dbraw/zinc/87/10/29/793871029.db2.gz	DHCSUGBUBYXAHE-GDBMZVCRSA-N	1	0	356.401	1.948	20	30		FDEDRO
Cc1cc(NCC[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)n2ncnc2n1	ZINC000378456597	794172270	/nfs/dbraw/zinc/17/22/70/794172270.db2.gz	PALLVIQQPOSFPY-FPCVCCKLSA-N	1	0	355.446	1.674	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C	ZINC001104878970	794186493	/nfs/dbraw/zinc/18/64/93/794186493.db2.gz	YRJWQHMQIZKFPR-OWCLPIDISA-N	1	0	364.490	1.357	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@H](C)n2cccn2)C[C@H]1C	ZINC001104885981	794213731	/nfs/dbraw/zinc/21/37/31/794213731.db2.gz	WNEZRWNPAZWMMZ-IXDOHACOSA-N	1	0	361.490	1.211	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C[C@H]1C	ZINC001104904611	794311340	/nfs/dbraw/zinc/31/13/40/794311340.db2.gz	CAYIMSIAGRHVFE-VXGBXAGGSA-N	1	0	350.419	1.160	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CC[N@@H+](CCC)C2)c1	ZINC000660029252	794369364	/nfs/dbraw/zinc/36/93/64/794369364.db2.gz	XUUOBCPCRWVJMN-OAHLLOKOSA-N	1	0	351.472	1.365	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)NC3=O)C[C@H]1C	ZINC001104926998	794426766	/nfs/dbraw/zinc/42/67/66/794426766.db2.gz	NWIQDYJTLFXDRY-UKRRQHHQSA-N	1	0	353.422	1.281	20	30		FDEDRO
CC[C@@H](C(=O)OC)N1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1	ZINC000511568712	794433668	/nfs/dbraw/zinc/43/36/68/794433668.db2.gz	XMMAOXZDGWVHAD-KRWDZBQOSA-N	1	0	358.442	1.456	20	30		FDEDRO
CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1	ZINC000363894416	794446377	/nfs/dbraw/zinc/44/63/77/794446377.db2.gz	RGSOUOMLSRZKIO-CYBMUJFWSA-N	1	0	359.430	1.302	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ncccc2Cl)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104930816	794457916	/nfs/dbraw/zinc/45/79/16/794457916.db2.gz	FHLUCQRNHRFFMV-CHWSQXEVSA-N	1	0	363.849	1.063	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccccc2Cl)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104939711	794494495	/nfs/dbraw/zinc/49/44/95/794494495.db2.gz	DIBKFBJDAVETRF-ZIAGYGMSSA-N	1	0	362.861	1.668	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2ccccc2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104943421	794503787	/nfs/dbraw/zinc/50/37/87/794503787.db2.gz	VMMGQAZKUYKOAK-SJLPKXTDSA-N	1	0	356.470	1.333	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)COCc2cccnc2)C[C@H]1C	ZINC001104957966	794573796	/nfs/dbraw/zinc/57/37/96/794573796.db2.gz	YFSWMXPDENOHAN-IEBWSBKVSA-N	1	0	359.470	1.322	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](OC)C2CCCC2)C[C@H]1C	ZINC001104960060	794595887	/nfs/dbraw/zinc/59/58/87/794595887.db2.gz	NPRMVHMVKOMASF-BHIYHBOVSA-N	1	0	350.503	1.916	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1	ZINC000974188448	794677584	/nfs/dbraw/zinc/67/75/84/794677584.db2.gz	OVWRSFKHPUIHOO-TWMKSMIVSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2cccc(F)c2)C[C@H]1C	ZINC001104980131	794728246	/nfs/dbraw/zinc/72/82/46/794728246.db2.gz	FPLSVLBWRDYQKM-NVXWUHKLSA-N	1	0	361.461	1.745	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](CN(C)c3nccnc3C#N)C2)CC[N@@H+]1C	ZINC001058708481	794758794	/nfs/dbraw/zinc/75/87/94/794758794.db2.gz	NCHAKHRANHHUJB-SOLBZPMBSA-N	1	0	370.501	1.753	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc3c(c2)CCC3)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104996140	794792063	/nfs/dbraw/zinc/79/20/63/794792063.db2.gz	WYHUSCJTEQILOW-DNVCBOLYSA-N	1	0	368.481	1.503	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)CCNC(=O)c2cccs2)C[C@H]1C	ZINC001105001267	794839865	/nfs/dbraw/zinc/83/98/65/794839865.db2.gz	HHYJSCKVKFZMHF-HZPDHXFCSA-N	1	0	361.511	1.966	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)COc2cccc(C)c2)C[C@H]1C	ZINC001105004965	794841680	/nfs/dbraw/zinc/84/16/80/794841680.db2.gz	RUWWNVNQOGSPLO-QZTJIDSGSA-N	1	0	371.481	1.197	20	30		FDEDRO
CC(C)(O)C[N@@H+]1CCCN(C(=O)NCc2ccc(OCC#N)cc2)CC1	ZINC000363989071	794862922	/nfs/dbraw/zinc/86/29/22/794862922.db2.gz	ZEHCVUPWQIHYKP-UHFFFAOYSA-N	1	0	360.458	1.577	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CC2CCOCC2)C[C@H]1C(F)(F)F	ZINC001112073487	795003419	/nfs/dbraw/zinc/00/34/19/795003419.db2.gz	SGSGZJUECUNAEM-HUUCEWRRSA-N	1	0	364.408	1.985	20	30		FDEDRO
Cc1cc(NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)c(C#N)cc1N(C)C	ZINC000417151788	795012764	/nfs/dbraw/zinc/01/27/64/795012764.db2.gz	HVBNOQJMBKBGGC-MRXNPFEDSA-N	1	0	359.474	1.901	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC)N2CCCC2=O)C[C@H]1C	ZINC001105034032	795013697	/nfs/dbraw/zinc/01/36/97/795013697.db2.gz	JQJBNSKJAIOPIB-KZNAEPCWSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2noc3c2COCC3)C[C@H]1C	ZINC001105037080	795017679	/nfs/dbraw/zinc/01/76/79/795017679.db2.gz	IXJFXDKCRZODNP-HUUCEWRRSA-N	1	0	363.458	1.638	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1CC[NH2+][C@@H]1CCNC1=O	ZINC001105045613	795048169	/nfs/dbraw/zinc/04/81/69/795048169.db2.gz	YPXPZNDJLSVYEB-BHIYHBOVSA-N	1	0	353.466	1.391	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)COCCOC)C[C@H]1C(F)(F)F	ZINC001112074693	795049171	/nfs/dbraw/zinc/04/91/71/795049171.db2.gz	SJJXPRDQMFGGFV-BFHYXJOUSA-N	1	0	352.397	1.983	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2ccc(C)s2)C[C@H]1C	ZINC001105060558	795102701	/nfs/dbraw/zinc/10/27/01/795102701.db2.gz	JHOPXMMLLSRJLF-GDBMZVCRSA-N	1	0	363.527	1.975	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@H]1C(F)(F)F	ZINC001112076537	795105229	/nfs/dbraw/zinc/10/52/29/795105229.db2.gz	CYGAMARHHGAQRG-DGCLKSJQSA-N	1	0	357.332	1.030	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(N3CCN(C)CC3=O)CC2)cc1	ZINC000364105706	795181806	/nfs/dbraw/zinc/18/18/06/795181806.db2.gz	MKTRKNGWSKFZGV-INIZCTEOSA-N	1	0	356.470	1.716	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N[C@@H](C)C(C)C)C1	ZINC001105085514	795206213	/nfs/dbraw/zinc/20/62/13/795206213.db2.gz	UBBIQSPAXIFLNX-FGTMMUONSA-N	1	0	367.534	1.814	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(Cl)o4)[C@@H]3C2)C1=O	ZINC001075548498	795227482	/nfs/dbraw/zinc/22/74/82/795227482.db2.gz	FZYJKCMXKUVOII-BFHYXJOUSA-N	1	0	363.845	1.866	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)N(CC)CC)C1	ZINC001105090247	795234486	/nfs/dbraw/zinc/23/44/86/795234486.db2.gz	OAWYJPCWTWNJAT-KZNAEPCWSA-N	1	0	367.534	1.910	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2COc3ccccc32)C[C@H]1C	ZINC001105108788	795314775	/nfs/dbraw/zinc/31/47/75/795314775.db2.gz	RXDSHAWPKPJHIO-ZHALLVOQSA-N	1	0	356.466	1.887	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)c1	ZINC000663312234	806405962	/nfs/dbraw/zinc/40/59/62/806405962.db2.gz	WBRFRFKUTNDJDO-GFCCVEGCSA-N	1	0	365.377	1.113	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCCO2)C[C@H]1C	ZINC001105111542	795322920	/nfs/dbraw/zinc/32/29/20/795322920.db2.gz	DYBIZNBFYOGCPH-BMFZPTHFSA-N	1	0	371.909	1.498	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)n(C)c3c2)C[C@H]1C	ZINC001105118253	795339998	/nfs/dbraw/zinc/33/99/98/795339998.db2.gz	KPPYEEDTFMICOP-GDBMZVCRSA-N	1	0	354.454	1.990	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2	ZINC000893318729	795383865	/nfs/dbraw/zinc/38/38/65/795383865.db2.gz	OJIXPIZFCXPCSZ-KGLIPLIRSA-N	1	0	353.463	1.341	20	30		FDEDRO
CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1c(F)c(F)cc(F)c1F	ZINC000663312496	806419763	/nfs/dbraw/zinc/41/97/63/806419763.db2.gz	YDCUUVGZYOFHLW-LURJTMIESA-N	1	0	354.247	1.753	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)C[C@H]1c1ccccc1	ZINC001211655073	795502044	/nfs/dbraw/zinc/50/20/44/795502044.db2.gz	ASZMOQFWQDDGGF-UEXGIBASSA-N	1	0	353.466	1.510	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)Cn4cccn4)[C@@H]3C2)cc1	ZINC001075550130	795528462	/nfs/dbraw/zinc/52/84/62/795528462.db2.gz	GJLMZMVDKDTJIS-PKOBYXMFSA-N	1	0	365.437	1.518	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC([NH2+]Cc2cc3n(n2)CCC3)CC1	ZINC001026563809	795557926	/nfs/dbraw/zinc/55/79/26/795557926.db2.gz	HTFHYGNKRAHSDE-FUICEZJUSA-N	1	0	358.486	1.937	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1	ZINC000162604235	795648298	/nfs/dbraw/zinc/64/82/98/795648298.db2.gz	LVVAVWAZSMEUKO-CYBMUJFWSA-N	1	0	362.405	1.515	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)nc[nH]c2=O)C[C@H]1c1ccccc1	ZINC001211655495	795669591	/nfs/dbraw/zinc/66/95/91/795669591.db2.gz	KPHYAKUQERGDJP-DLBZAZTESA-N	1	0	350.422	1.712	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1	ZINC001026621589	795716435	/nfs/dbraw/zinc/71/64/35/795716435.db2.gz	PPFIOGHKBZEXGM-DNVCBOLYSA-N	1	0	353.466	1.738	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])CC2)cc1	ZINC000418418082	795894954	/nfs/dbraw/zinc/89/49/54/795894954.db2.gz	VWNBPICVESVRBG-RBUKOAKNSA-N	1	0	355.486	1.903	20	30		FDEDRO
COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)Cn2cnc(C#N)n2)cc1	ZINC000500393714	796043836	/nfs/dbraw/zinc/04/38/36/796043836.db2.gz	ZADQPZQWTKEBJB-INIZCTEOSA-N	1	0	354.414	1.112	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000364467942	796090648	/nfs/dbraw/zinc/09/06/48/796090648.db2.gz	WOPRQTNQAKWREH-IRXDYDNUSA-N	1	0	359.474	1.326	20	30		FDEDRO
C=C(C)Cn1c(-c2ncon2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000909332429	796111726	/nfs/dbraw/zinc/11/17/26/796111726.db2.gz	UZWOMQGZVAHPKZ-AWEZNQCLSA-N	1	0	359.434	1.205	20	30		FDEDRO
C=C(C)CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C2)nn1	ZINC001105330072	796143251	/nfs/dbraw/zinc/14/32/51/796143251.db2.gz	NGEMQQLAOYZJAM-IAGOWNOFSA-N	1	0	369.473	1.254	20	30		FDEDRO
C=CC[C@]1(C(=O)NCCCS(=O)(=O)Cc2ccccc2)CCC[NH2+]1	ZINC000662495725	806766078	/nfs/dbraw/zinc/76/60/78/806766078.db2.gz	PSXASYZPSOWQID-GOSISDBHSA-N	1	0	350.484	1.806	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(C(N)=O)cc2)C1	ZINC001026850747	799994376	/nfs/dbraw/zinc/99/43/76/799994376.db2.gz	CKMPASVNYRNXBS-QRQLOZEOSA-N	1	0	371.481	1.705	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnc(C(C)C)[nH]2)C1	ZINC001026849662	800015669	/nfs/dbraw/zinc/01/56/69/800015669.db2.gz	BGLRJHLDYJNICB-XHSDSOJGSA-N	1	0	361.490	1.847	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1	ZINC000974654093	800016901	/nfs/dbraw/zinc/01/69/01/800016901.db2.gz	CQGCZNBVIGFTPI-CKEIUWERSA-N	1	0	364.409	1.100	20	30		FDEDRO
C=C(C)Cn1c(-c2ccc(=O)n(C)c2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1	ZINC000909341692	800279613	/nfs/dbraw/zinc/27/96/13/800279613.db2.gz	YORGNCJMZBZJEL-HNNXBMFYSA-N	1	0	356.474	1.750	20	30		FDEDRO
CC(C)OCC[NH+]1CCC(NC(=O)NCC#C[C@@H]2CCCCO2)CC1	ZINC000893399245	800518428	/nfs/dbraw/zinc/51/84/28/800518428.db2.gz	UFIQLIQOUGPTIX-SFHVURJKSA-N	1	0	351.491	1.748	20	30		FDEDRO
C=CC[C@]1(C(=O)N[C@H](C)c2cccc(S(=O)(=O)NC)c2)CCC[NH2+]1	ZINC000662565547	806846589	/nfs/dbraw/zinc/84/65/89/806846589.db2.gz	DEMQELMPQGOVDW-CXAGYDPISA-N	1	0	351.472	1.470	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001027066578	800702075	/nfs/dbraw/zinc/70/20/75/800702075.db2.gz	ULTRNFSKMYCDJH-KURKYZTESA-N	1	0	354.454	1.221	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)CC(C)(F)F)[C@@H]3C2)CC1	ZINC000975036170	800747687	/nfs/dbraw/zinc/74/76/87/800747687.db2.gz	NDFQQWWYXIWIPB-HZPDHXFCSA-N	1	0	367.440	1.436	20	30		FDEDRO
C=CC[C@@]1(C(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)CCC[NH2+]1	ZINC000662580717	806862308	/nfs/dbraw/zinc/86/23/08/806862308.db2.gz	UIXMZODGSXERJB-SFHVURJKSA-N	1	0	374.466	1.913	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cccc(C(=O)NC)c2)C1	ZINC001027075762	800890372	/nfs/dbraw/zinc/89/03/72/800890372.db2.gz	ARRSWTCLAHFOFZ-QRQLOZEOSA-N	1	0	371.481	1.575	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnc(C3CC3)s2)C1	ZINC001027076360	800891385	/nfs/dbraw/zinc/89/13/85/800891385.db2.gz	LQVXFBUIWFYBAX-YUELXQCFSA-N	1	0	362.499	1.945	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(CCCC)CC1)C2	ZINC001112524242	801378038	/nfs/dbraw/zinc/37/80/38/801378038.db2.gz	CXIZUZMIRZXBDQ-UWJYYQICSA-N	1	0	359.514	1.925	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC(N)=O)C2)CC1	ZINC001112524429	801456455	/nfs/dbraw/zinc/45/64/55/801456455.db2.gz	NONXJQVDLYDQNM-LIRRHRJNSA-N	1	0	362.474	1.146	20	30		FDEDRO
C=CC[C@]1(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)CCC[NH2+]1	ZINC000662646812	806923024	/nfs/dbraw/zinc/92/30/24/806923024.db2.gz	NKBIFNGCLRKSQS-OEMYIYORSA-N	1	0	353.466	1.958	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21	ZINC000975650776	801837412	/nfs/dbraw/zinc/83/74/12/801837412.db2.gz	PIYFBGNGMVWSTK-XIRDDKMYSA-N	1	0	355.442	1.044	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)CC[N@@H+]1C	ZINC000975695750	801997700	/nfs/dbraw/zinc/99/77/00/801997700.db2.gz	CNMYJFRBVSQEBS-WNHJNPCNSA-N	1	0	357.498	1.580	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)c4cc[nH]c4)C[C@@H]32)CC1	ZINC000975751379	802198414	/nfs/dbraw/zinc/19/84/14/802198414.db2.gz	SFDXLORRFJLDOM-LPHOPBHVSA-N	1	0	368.481	1.423	20	30		FDEDRO
CC1CC[NH+](CC(=O)N2CC[C@H]3CCN(C(=O)C#CC4CC4)[C@H]3C2)CC1	ZINC000975925614	802698789	/nfs/dbraw/zinc/69/87/89/802698789.db2.gz	YZANWDFHMIPQEL-OALUTQOASA-N	1	0	357.498	1.581	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)c1c(N)n(CCOC)c(=O)[nH]c1=O	ZINC000661117560	802754990	/nfs/dbraw/zinc/75/49/90/802754990.db2.gz	SATFQIVNNFPDRG-OLZOCXBDSA-N	1	0	364.446	1.085	20	30		FDEDRO
C=CC[C@@H]1CC[C@H]([NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)C1	ZINC000651720161	802794845	/nfs/dbraw/zinc/79/48/45/802794845.db2.gz	RTTXTTUSLYHRPI-ZBFHGGJFSA-N	1	0	352.504	1.908	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)C(C)(C)C)C[C@@H]32)CC1	ZINC000975997525	802825757	/nfs/dbraw/zinc/82/57/57/802825757.db2.gz	XJMXYANLONPRGK-WMZOPIPTSA-N	1	0	359.514	1.827	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2cc(C#N)c[nH]2)C1	ZINC000976480484	803415553	/nfs/dbraw/zinc/41/55/53/803415553.db2.gz	HTDVOZRSRRQLEE-FVQBIDKESA-N	1	0	357.458	1.385	20	30		FDEDRO
C=CC[C@H]1CCC[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1	ZINC000661379210	803431943	/nfs/dbraw/zinc/43/19/43/803431943.db2.gz	AIJCUQYVQJVXOV-INIZCTEOSA-N	1	0	359.536	1.451	20	30		FDEDRO
C=CCCS(=O)(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21	ZINC000651841728	803462120	/nfs/dbraw/zinc/46/21/20/803462120.db2.gz	YUJYAYMGLGTBCU-ZWKOTPCHSA-N	1	0	350.484	1.868	20	30		FDEDRO
CC1CC[NH+](CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)CC1	ZINC000976536231	803504757	/nfs/dbraw/zinc/50/47/57/803504757.db2.gz	FKCIEIQIXZTATE-IAGOWNOFSA-N	1	0	371.485	1.775	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)cc1	ZINC000976609658	803631376	/nfs/dbraw/zinc/63/13/76/803631376.db2.gz	ODTABQOVYBKYCM-CENDIDJXSA-N	1	0	365.477	1.585	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)c2c(C)cc(C#N)cc2C)CC1	ZINC000894278309	814962380	/nfs/dbraw/zinc/96/23/80/814962380.db2.gz	FUQUOSZMBFEDIM-UHFFFAOYSA-N	1	0	356.470	1.801	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1	ZINC000423121368	814965828	/nfs/dbraw/zinc/96/58/28/814965828.db2.gz	INJSXYVCJUEIAP-MOPGFXCFSA-N	1	0	371.481	1.556	20	30		FDEDRO
C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1	ZINC000423153001	814975742	/nfs/dbraw/zinc/97/57/42/814975742.db2.gz	MRALRQDHHDPSTM-HXUWFJFHSA-N	1	0	370.453	1.125	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1	ZINC000423185636	814983112	/nfs/dbraw/zinc/98/31/12/814983112.db2.gz	JVTOOCRYERKCLR-ROUUACIJSA-N	1	0	352.438	1.141	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1	ZINC000423184762	814983624	/nfs/dbraw/zinc/98/36/24/814983624.db2.gz	IPRJCMKYTPNWNE-QZTJIDSGSA-N	1	0	352.438	1.283	20	30		FDEDRO
C=CCN(C(=O)COC1CC[NH2+]CC1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000423164704	814985459	/nfs/dbraw/zinc/98/54/59/814985459.db2.gz	OYKKOBMTHHRMLI-OAHLLOKOSA-N	1	0	370.457	1.507	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1	ZINC000423168112	814986201	/nfs/dbraw/zinc/98/62/01/814986201.db2.gz	GSVBRPAGCKXPSQ-WMZOPIPTSA-N	1	0	357.454	1.420	20	30		FDEDRO
C=CCN(Cc1ccccc1F)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1	ZINC000423190427	814995597	/nfs/dbraw/zinc/99/55/97/814995597.db2.gz	SGEOFAFIDNAFPO-LESCRADOSA-N	1	0	359.445	1.926	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1	ZINC000423214392	815004433	/nfs/dbraw/zinc/00/44/33/815004433.db2.gz	MHAZKMVCVDHTQK-DOTOQJQBSA-N	1	0	372.425	1.320	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C	ZINC000423243504	815016195	/nfs/dbraw/zinc/01/61/95/815016195.db2.gz	GINMULKCCOABGS-SFHVURJKSA-N	1	0	374.485	1.365	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](COC)OC)C[C@H]1c1ccccc1	ZINC001211670965	804587589	/nfs/dbraw/zinc/58/75/89/804587589.db2.gz	QVERUDJEMJZTGK-IPMKNSEASA-N	1	0	362.470	1.435	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1	ZINC000662962345	804731065	/nfs/dbraw/zinc/73/10/65/804731065.db2.gz	VTEWDGMBHXSYFR-VSZNYVQBSA-N	1	0	363.502	1.546	20	30		FDEDRO
N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2CC3(CC3)C2)C[C@H]1c1ccccc1	ZINC001211673447	804826071	/nfs/dbraw/zinc/82/60/71/804826071.db2.gz	JXLPRPSMXZGAMZ-ZWKOTPCHSA-N	1	0	366.465	1.401	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1	ZINC000504053519	815045069	/nfs/dbraw/zinc/04/50/69/815045069.db2.gz	KITYNRGLJVFYKW-KRWDZBQOSA-N	1	0	372.513	1.743	20	30		FDEDRO
C[N@H+](Cc1cccc(C#N)c1)[C@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1	ZINC001027573934	805061822	/nfs/dbraw/zinc/06/18/22/805061822.db2.gz	KRPPSJTVUPJPAP-OKZBNKHCSA-N	1	0	370.453	1.014	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(Cc3nccn3CC)C[C@H]21	ZINC000978164627	805230538	/nfs/dbraw/zinc/23/05/38/805230538.db2.gz	GARSZPIMZAYAGA-DZVNLGKHSA-N	1	0	358.486	1.678	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1	ZINC000978179042	805258640	/nfs/dbraw/zinc/25/86/40/805258640.db2.gz	LTWDHIHUGOPLNB-QSGLGXSPSA-N	1	0	366.465	1.267	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2nccn3ccnc23)C[C@H]1c1ccccc1	ZINC001211676873	805286150	/nfs/dbraw/zinc/28/61/50/805286150.db2.gz	UNQSDCJIPZLMSY-ZWKOTPCHSA-N	1	0	359.433	1.950	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCO[C@H]3c3ccnn3CC)[C@@H]2C1	ZINC000978286040	805337229	/nfs/dbraw/zinc/33/72/29/805337229.db2.gz	WPLSKQIUNYVRBW-ZQOJQMTGSA-N	1	0	358.486	1.851	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CN(C)CCO2)C1	ZINC001087423922	805517400	/nfs/dbraw/zinc/51/74/00/805517400.db2.gz	ALBYYMDKGATTHO-AQNXPRMDSA-N	1	0	355.482	1.315	20	30		FDEDRO
COc1ccc(CN2C[C@@H](NC(=O)CC3CCCC3)[C@@H](O)C2)cc1C#N	ZINC001083317817	806981682	/nfs/dbraw/zinc/98/16/82/806981682.db2.gz	OLNLSJGZSFILSH-MSOLQXFVSA-N	1	0	357.454	1.808	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c3n(c(=O)n1C)CCCC3)C2	ZINC001112531237	807001368	/nfs/dbraw/zinc/00/13/68/807001368.db2.gz	NANKUDPKRKFWGI-KKSFZXQISA-N	1	0	370.497	1.378	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2COCCN2CC)C1	ZINC001087431287	807189688	/nfs/dbraw/zinc/18/96/88/807189688.db2.gz	ILLVGXFCCIBBMC-AQNXPRMDSA-N	1	0	357.498	1.867	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C2CC2)cc1	ZINC000423557634	815114437	/nfs/dbraw/zinc/11/44/37/815114437.db2.gz	CITATTFKRQTLPZ-CALCHBBNSA-N	1	0	352.438	1.402	20	30		FDEDRO
C[C@H]1CCN(C(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C[C@@H]1C[NH3+]	ZINC000423561444	815118307	/nfs/dbraw/zinc/11/83/07/815118307.db2.gz	PLWZSIDWCYMKBH-KXBFYZLASA-N	1	0	366.465	1.617	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1	ZINC000981178303	807656257	/nfs/dbraw/zinc/65/62/57/807656257.db2.gz	QYMOYSPVCQGKMI-DAYGRLMNSA-N	1	0	371.485	1.775	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1	ZINC000981179327	807658325	/nfs/dbraw/zinc/65/83/25/807658325.db2.gz	NYLVRNWYKZBJMF-DAYGRLMNSA-N	1	0	371.485	1.774	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](C[C@H]2CCNC(=O)CC2)CC1	ZINC000981190096	807688822	/nfs/dbraw/zinc/68/88/22/807688822.db2.gz	PQUIHXLWSOPLBF-KURKYZTESA-N	1	0	363.502	1.418	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3CCC[N@@H+](CC)C3)cc2C1=O	ZINC000512056858	807880920	/nfs/dbraw/zinc/88/09/20/807880920.db2.gz	JYEDYYQVDYQDTL-CQSZACIVSA-N	1	0	355.438	1.930	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1	ZINC000981340769	807917564	/nfs/dbraw/zinc/91/75/64/807917564.db2.gz	VURJHMZRVWSZKV-YXJHDRRASA-N	1	0	371.485	1.774	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)C(C)(C)F)C2)CC1	ZINC000981544106	808113986	/nfs/dbraw/zinc/11/39/86/808113986.db2.gz	GFBFMVBPQOQBPM-GOEBONIOSA-N	1	0	351.466	1.481	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3cocn3)C2)CC1	ZINC000981544282	808115195	/nfs/dbraw/zinc/11/51/95/808115195.db2.gz	HDHJGTKJFYKBTD-GOEBONIOSA-N	1	0	358.442	1.035	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1cccc(C#N)c1	ZINC001028135564	808597454	/nfs/dbraw/zinc/59/74/54/808597454.db2.gz	UVWCBVXZOSCURK-FGTMMUONSA-N	1	0	354.454	1.363	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)nc1	ZINC000981843819	808607882	/nfs/dbraw/zinc/60/78/82/808607882.db2.gz	VICGKUBMPGBPLU-JZXOWHBKSA-N	1	0	354.454	1.172	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1	ZINC000981844275	808609540	/nfs/dbraw/zinc/60/95/40/808609540.db2.gz	LOAUFUHGQYCOTB-QILLFSRXSA-N	1	0	354.454	1.029	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCCN1CCCC1=O	ZINC001028195947	808978870	/nfs/dbraw/zinc/97/88/70/808978870.db2.gz	ZLCVSIRGELUHJL-LNLFQRSKSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1	ZINC001087439571	809095255	/nfs/dbraw/zinc/09/52/55/809095255.db2.gz	FWMXQGJMLYGITF-QZTJIDSGSA-N	1	0	369.465	1.590	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CCN1Cc1ccccc1	ZINC000418745716	809184860	/nfs/dbraw/zinc/18/48/60/809184860.db2.gz	WCVMWCDNHXHVOR-IPMKNSEASA-N	1	0	355.486	1.923	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)NCCC[C@H]3CCC[NH2+]3)CC2)cc1	ZINC000418765957	809190537	/nfs/dbraw/zinc/19/05/37/809190537.db2.gz	KFEYSSSFMOMMLC-LJQANCHMSA-N	1	0	355.486	1.918	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCCSCc2ccccc2C#N)C1	ZINC000418931362	809323304	/nfs/dbraw/zinc/32/33/04/809323304.db2.gz	YCIURFIUXGPUOM-GOEBONIOSA-N	1	0	374.510	1.493	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)CCC)C[C@H]1c1ccccc1	ZINC001211724245	809342760	/nfs/dbraw/zinc/34/27/60/809342760.db2.gz	WUIQNDDNTWSZEJ-ZWKOTPCHSA-N	1	0	364.511	1.972	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1	ZINC000419061891	809500424	/nfs/dbraw/zinc/50/04/24/809500424.db2.gz	VMQKZRSFKUBJHA-MANSERQUSA-N	1	0	355.482	1.876	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)c1	ZINC000419078781	809538083	/nfs/dbraw/zinc/53/80/83/809538083.db2.gz	LOZRQKCLQNVWQA-QZTJIDSGSA-N	1	0	354.454	1.555	20	30		FDEDRO
CN(C(=[NH2+])NCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1)C1CC1	ZINC000261897085	815307888	/nfs/dbraw/zinc/30/78/88/815307888.db2.gz	VBQHDGGLYJQRCA-IBGZPJMESA-N	1	0	355.442	1.820	20	30		FDEDRO
CN(Cc1ccccc1)C(=O)N1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1	ZINC000424086482	815309641	/nfs/dbraw/zinc/30/96/41/815309641.db2.gz	BYGAEKFEDWLPPD-KRWDZBQOSA-N	1	0	357.458	1.404	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1	ZINC000473283215	809712161	/nfs/dbraw/zinc/71/21/61/809712161.db2.gz	LSVDEYHILQTQTQ-KRWDZBQOSA-N	1	0	354.454	1.996	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1	ZINC000424106145	815311553	/nfs/dbraw/zinc/31/15/53/815311553.db2.gz	LQEDULZVAGMPMV-DLBZAZTESA-N	1	0	358.442	1.233	20	30		FDEDRO
C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1	ZINC000473292478	809726817	/nfs/dbraw/zinc/72/68/17/809726817.db2.gz	CKTTWNOBRUQJEJ-CQSZACIVSA-N	1	0	358.417	1.826	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1	ZINC000424107488	815312293	/nfs/dbraw/zinc/31/22/93/815312293.db2.gz	UYNXKRLIQGXQBD-OAHLLOKOSA-N	1	0	359.426	1.601	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C)CS(C)(=O)=O)C[C@H]1c1ccccc1	ZINC001211732770	809826062	/nfs/dbraw/zinc/82/60/62/809826062.db2.gz	ZFBPZOAPOHJVHR-BPQIPLTHSA-N	1	0	364.511	1.827	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C(C)=O)C[C@H]1c1ccccc1	ZINC001211732787	809826112	/nfs/dbraw/zinc/82/61/12/809826112.db2.gz	ZSJDENYZHONJAD-XUVXKRRUSA-N	1	0	353.466	1.605	20	30		FDEDRO
COC(=O)c1cccc(NC2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)c1	ZINC000424168359	815322337	/nfs/dbraw/zinc/32/23/37/815322337.db2.gz	GIGJFUDTOAVGRF-QGZVFWFLSA-N	1	0	358.442	1.897	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1	ZINC001087445282	809837696	/nfs/dbraw/zinc/83/76/96/809837696.db2.gz	GJGUBUHQFJYMHJ-BRWVUGGUSA-N	1	0	355.438	1.200	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1	ZINC001087445283	809838091	/nfs/dbraw/zinc/83/80/91/809838091.db2.gz	GJGUBUHQFJYMHJ-GVDBMIGSSA-N	1	0	355.438	1.200	20	30		FDEDRO
C#CCN(CC#CC)Cc1cn(CC(=O)OCC)nc1-c1cccnc1	ZINC000894034212	809872424	/nfs/dbraw/zinc/87/24/24/809872424.db2.gz	MCQQNQHDFHPIPE-UHFFFAOYSA-N	1	0	350.422	1.967	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)nn1	ZINC000424158889	815320727	/nfs/dbraw/zinc/32/07/27/815320727.db2.gz	UNWVUNMBYQOCTN-SJORKVTESA-N	1	0	355.442	1.738	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC#N)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1	ZINC000245388451	809907566	/nfs/dbraw/zinc/90/75/66/809907566.db2.gz	CYMSZTUAUMAPRN-XJKSGUPXSA-N	1	0	361.421	1.782	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000894098580	809941829	/nfs/dbraw/zinc/94/18/29/809941829.db2.gz	IYSPKWYPOIQGLA-CRAIPNDOSA-N	1	0	369.469	1.837	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1	ZINC000411380305	810162032	/nfs/dbraw/zinc/16/20/32/810162032.db2.gz	AFEDJHNHYBGFNJ-AWEZNQCLSA-N	1	0	360.458	1.882	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1	ZINC001087457338	810185192	/nfs/dbraw/zinc/18/51/92/810185192.db2.gz	VQUUHRBNVRCVFS-QRVBRYPASA-N	1	0	371.456	1.744	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000937182135	810245339	/nfs/dbraw/zinc/24/53/39/810245339.db2.gz	YSTXROJSLKLHIR-HLLBOEOZSA-N	1	0	357.458	1.290	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1ccc(C#N)cc1	ZINC000419289603	810329152	/nfs/dbraw/zinc/32/91/52/810329152.db2.gz	QRRKONAAZLEVDP-KBXCAEBGSA-N	1	0	354.454	1.726	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000937211636	810405481	/nfs/dbraw/zinc/40/54/81/810405481.db2.gz	NSKFWITULPORLS-IXDOHACOSA-N	1	0	357.458	1.290	20	30		FDEDRO
N#CCN1CCN(C(=O)[C@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CC1	ZINC000333125038	810467706	/nfs/dbraw/zinc/46/77/06/810467706.db2.gz	VOYIAFPCYCVCDT-CTNGQTDRSA-N	1	0	352.482	1.956	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCn2nc(C)cc2C)C1	ZINC001028549054	810616953	/nfs/dbraw/zinc/61/69/53/810616953.db2.gz	LAYJROIBFFXHCU-QRVBRYPASA-N	1	0	360.502	1.919	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@]2(C)C[N@@H+](C[C@@H](C)O)C[C@]2(C)C1	ZINC000982630682	810627839	/nfs/dbraw/zinc/62/78/39/810627839.db2.gz	OWPYUTJDFTYOBY-QQBOBMDFSA-N	1	0	350.503	1.909	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)C1	ZINC001028546012	810631595	/nfs/dbraw/zinc/63/15/95/810631595.db2.gz	PKTBKJNDCOYYGT-XJKCOSOUSA-N	1	0	360.483	1.473	20	30		FDEDRO
Cc1cc(C)n(CC[N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)n1	ZINC001075658441	810907991	/nfs/dbraw/zinc/90/79/91/810907991.db2.gz	CCADTFPIAXJAMW-FUHWJXTLSA-N	1	0	352.442	1.546	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@H+](CCCO)CC[C@@H]2c2ccc(F)cc2)c[nH]1	ZINC001087463542	811106181	/nfs/dbraw/zinc/10/61/81/811106181.db2.gz	OOBYDVIDMNLVNE-RTBURBONSA-N	1	0	370.428	1.996	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCC4)C[C@@H]2O)c1	ZINC001083390403	811179091	/nfs/dbraw/zinc/17/90/91/811179091.db2.gz	PCGVPINNACINOI-MOPGFXCFSA-N	1	0	350.422	1.350	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1	ZINC000982817126	811273451	/nfs/dbraw/zinc/27/34/51/811273451.db2.gz	OOURHYPNVCKFDJ-NXHRZFHOSA-N	1	0	363.502	1.274	20	30		FDEDRO
C[NH+]=C(NCc1cn2c(n1)CCCC2)N1CCO[C@@H](c2cnn(C)c2)C1	ZINC000261748886	811310466	/nfs/dbraw/zinc/31/04/66/811310466.db2.gz	LQJIIJDYSRTUQG-MRXNPFEDSA-N	1	0	357.462	1.102	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)nn1	ZINC000424798867	815442998	/nfs/dbraw/zinc/44/29/98/815442998.db2.gz	GLRIFPHMVVDBMG-SFHVURJKSA-N	1	0	369.469	1.875	20	30		FDEDRO
CC[NH+]=C(NCc1nnc2n1CCC2)N1CC[C@H](C)[C@@H](n2ccnc2)C1	ZINC000261983426	811360801	/nfs/dbraw/zinc/36/08/01/811360801.db2.gz	PMWPULLFDMOXTJ-GJZGRUSLSA-N	1	0	356.478	1.469	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1	ZINC000982826659	811383408	/nfs/dbraw/zinc/38/34/08/811383408.db2.gz	ZAHJAYXWSKVUOP-NJAFHUGGSA-N	1	0	363.502	1.274	20	30		FDEDRO
C[NH+]=C(NCc1ccc(N2CCCC2)nc1)N1CC[C@H](c2cnn(C)c2)C1	ZINC000262489947	811476778	/nfs/dbraw/zinc/47/67/78/811476778.db2.gz	UNRVZLIIKRIGDA-KRWDZBQOSA-N	1	0	367.501	1.980	20	30		FDEDRO
C[NH+]=C(NCc1cn2c(n1)CCCC2)N1CCN(c2ccccn2)CC1	ZINC000262524473	811483803	/nfs/dbraw/zinc/48/38/03/811483803.db2.gz	GAVWUWSVCDTYAL-UHFFFAOYSA-N	1	0	353.474	1.512	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000262749668	811544792	/nfs/dbraw/zinc/54/47/92/811544792.db2.gz	BOIMHPJPDXRLPV-JKSUJKDBSA-N	1	0	370.505	1.337	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](C[C@H](O)Cc4ccccc4)C[C@H]32)[nH]1	ZINC001075700334	815457055	/nfs/dbraw/zinc/45/70/55/815457055.db2.gz	LSRVSRWJCXFBDY-ILZDJORESA-N	1	0	364.449	1.636	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](O)c4ccccc4)C[C@H]32)[nH]1	ZINC001075700451	815462139	/nfs/dbraw/zinc/46/21/39/815462139.db2.gz	QNBKCBBXIGGRHZ-KFKAGJAMSA-N	1	0	350.422	1.766	20	30		FDEDRO
CC(C)(C)N1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)C1=O	ZINC001075700458	815462236	/nfs/dbraw/zinc/46/22/36/815462236.db2.gz	QXUZKOSGDCKZRI-IAOVAPTHSA-N	1	0	369.469	1.432	20	30		FDEDRO
C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1	ZINC000280026734	811697019	/nfs/dbraw/zinc/69/70/19/811697019.db2.gz	MWFUNWGMHTXDHF-QFBILLFUSA-N	1	0	353.470	1.383	20	30		FDEDRO
C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)c1	ZINC000505282434	815470103	/nfs/dbraw/zinc/47/01/03/815470103.db2.gz	ZJJQITMUWCHNQU-UHFFFAOYSA-N	1	0	358.442	1.718	20	30		FDEDRO
Cc1cc(CC(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@H]32)[nH]n1	ZINC001075677390	811721801	/nfs/dbraw/zinc/72/18/01/811721801.db2.gz	CLHHIFUMVZZGDK-SUMWQHHRSA-N	1	0	355.467	1.927	20	30		FDEDRO
C[NH+](C)CCn1cc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)ccc1=O	ZINC000280277925	811769064	/nfs/dbraw/zinc/76/90/64/811769064.db2.gz	YRUUDAHNBIKTTE-KRWDZBQOSA-N	1	0	363.421	1.603	20	30		FDEDRO
C[C@]1(C(N)=O)CC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000280521924	811844790	/nfs/dbraw/zinc/84/47/90/811844790.db2.gz	DZEBHLFVVFUYNT-KRWDZBQOSA-N	1	0	367.371	1.370	20	30		FDEDRO
C[C@@]1(C2CC2)NC(=O)N(c2cccc(CNC(=[NH2+])N3CCOCC3)c2)C1=O	ZINC000261913174	815488051	/nfs/dbraw/zinc/48/80/51/815488051.db2.gz	YTLJAFYUAGTZNF-IBGZPJMESA-N	1	0	371.441	1.058	20	30		FDEDRO
C=C(C)[C@@H](NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)c1ccc(F)c(F)c1	ZINC000419672040	812082984	/nfs/dbraw/zinc/08/29/84/812082984.db2.gz	FYHUAHFPBCXOBT-CZUORRHYSA-N	1	0	367.396	1.193	20	30		FDEDRO
C[NH+]=C(NCC(C)(C)N1CCOCC1)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000261811317	812141709	/nfs/dbraw/zinc/14/17/09/812141709.db2.gz	HQRGLINPRVJMRK-UHFFFAOYSA-N	1	0	367.538	1.004	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NCCC[NH2+]Cc1cccnc1	ZINC000419845314	812252788	/nfs/dbraw/zinc/25/27/88/812252788.db2.gz	DNRDPCIAKJMXAO-UHFFFAOYSA-N	1	0	365.437	1.208	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)[C@@H]1CCC[NH2+]C1	ZINC000419882686	812274027	/nfs/dbraw/zinc/27/40/27/812274027.db2.gz	IOYKYBLOXQPTHQ-JCHJZTRSSA-N	1	0	368.481	1.789	20	30		FDEDRO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000434416508	815563127	/nfs/dbraw/zinc/56/31/27/815563127.db2.gz	PEYIMFNCPVVLRL-PKOBYXMFSA-N	1	0	359.470	1.925	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1	ZINC000419995651	813391308	/nfs/dbraw/zinc/39/13/08/813391308.db2.gz	ICJPQOMEAFLEFC-QGZVFWFLSA-N	1	0	372.469	1.039	20	30		FDEDRO
CC1(C)CCCc2cc(C#N)c(N3CCC[C@@H](C(=O)NCC[NH3+])C3)nc21	ZINC000420177083	813515954	/nfs/dbraw/zinc/51/59/54/813515954.db2.gz	YGOPRRFHQZZBJK-OAHLLOKOSA-N	1	0	355.486	1.858	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCC(C#N)CC1	ZINC000501690658	813599803	/nfs/dbraw/zinc/59/98/03/813599803.db2.gz	RIAYTIQJLBSTJX-QFBILLFUSA-N	1	0	368.481	1.775	20	30		FDEDRO
N#Cc1ccc(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)[nH]1	ZINC000501980579	813771177	/nfs/dbraw/zinc/77/11/77/813771177.db2.gz	SUHHCCNXZCVAHS-UHFFFAOYSA-N	1	0	353.430	1.009	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCCC[C@@H]1C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1	ZINC000261846529	814233123	/nfs/dbraw/zinc/23/31/23/814233123.db2.gz	XJXBUYJITDDMDU-CKFHNAJUSA-N	1	0	363.506	1.698	20	30		FDEDRO
CC(C)(CC#N)CNC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000422101770	814391138	/nfs/dbraw/zinc/39/11/38/814391138.db2.gz	QPVUTLMIEKLRTG-QGZVFWFLSA-N	1	0	356.470	1.823	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1cccc(N2CCOC2=O)c1	ZINC000271852534	814497331	/nfs/dbraw/zinc/49/73/31/814497331.db2.gz	WYDAQIDDDUFOOF-OAHLLOKOSA-N	1	0	369.425	1.950	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CCN(C(=O)[C@]34C[C@H]3CCC4)C2)CC1	ZINC000983091264	814580424	/nfs/dbraw/zinc/58/04/24/814580424.db2.gz	GETNTPHPTPRWJZ-HGHGUNKESA-N	1	0	357.498	1.487	20	30		FDEDRO
C[NH+](C)CC1(CNC(=O)C(=O)Nc2cccc(OCC#N)c2)CCCC1	ZINC000273595373	814797483	/nfs/dbraw/zinc/79/74/83/814797483.db2.gz	NMPCBLCBFFHVKV-UHFFFAOYSA-N	1	0	358.442	1.766	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C	ZINC000422432119	814820011	/nfs/dbraw/zinc/82/00/11/814820011.db2.gz	WSPCMMYATLPBSY-WDYCEAGBSA-N	1	0	355.482	1.889	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCC(C)(C)CC#N	ZINC000422487044	814824729	/nfs/dbraw/zinc/82/47/29/814824729.db2.gz	IZBAPHPJSJLIOZ-UHFFFAOYSA-N	1	0	362.449	1.772	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)cc1	ZINC001028709949	814832211	/nfs/dbraw/zinc/83/22/11/814832211.db2.gz	QGIKWXPVJMQLDY-LWYYNNOASA-N	1	0	369.465	1.548	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1	ZINC001028710797	814833655	/nfs/dbraw/zinc/83/36/55/814833655.db2.gz	ZYVQHHNAGXTGSM-XFWGSAIBSA-N	1	0	369.465	1.548	20	30		FDEDRO
C[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21)n1cncn1	ZINC001075705314	815658422	/nfs/dbraw/zinc/65/84/22/815658422.db2.gz	IKCMCGGFHMYEPT-FHLIZLRMSA-N	1	0	350.426	1.444	20	30		FDEDRO
C[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21)n1cncn1	ZINC001075705315	815658619	/nfs/dbraw/zinc/65/86/19/815658619.db2.gz	IKCMCGGFHMYEPT-JCGIZDLHSA-N	1	0	350.426	1.444	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cc(OC)ns2)C1	ZINC001028809956	815785202	/nfs/dbraw/zinc/78/52/02/815785202.db2.gz	ROTQGMTZXLDXEO-CFVMTHIKSA-N	1	0	351.472	1.681	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cc(CO)ccc2F)C1	ZINC001028812988	815818848	/nfs/dbraw/zinc/81/88/48/815818848.db2.gz	REHJHXATYVEMJI-SUMDDJOVSA-N	1	0	362.445	1.847	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C	ZINC000434884854	815830042	/nfs/dbraw/zinc/83/00/42/815830042.db2.gz	BHSOLVKXZMPWOJ-MRXNPFEDSA-N	1	0	361.442	1.719	20	30		FDEDRO
COc1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)on1	ZINC001075712257	815844475	/nfs/dbraw/zinc/84/44/75/815844475.db2.gz	OOWVMTGHTMAZEE-JKSUJKDBSA-N	1	0	352.394	1.901	20	30		FDEDRO
COC1(CO)CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1	ZINC000434988087	815872016	/nfs/dbraw/zinc/87/20/16/815872016.db2.gz	QOYZVHZUWUTLOA-UHFFFAOYSA-N	1	0	355.442	1.832	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)C[C@@H](CC#N)c3ccccc3)CC2)C1=O	ZINC000425311354	815970251	/nfs/dbraw/zinc/97/02/51/815970251.db2.gz	PENGMMORCNXRMX-IEBWSBKVSA-N	1	0	368.481	1.885	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)N[C@H](C)CN1CC[NH+](C)CC1	ZINC000505679350	816024565	/nfs/dbraw/zinc/02/45/65/816024565.db2.gz	VUDORJSJGRUOFT-MRXNPFEDSA-N	1	0	358.486	1.496	20	30		FDEDRO
CNC(=O)c1cccc(CC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)c1	ZINC000515414294	816249352	/nfs/dbraw/zinc/24/93/52/816249352.db2.gz	FWLKZKVWBUNIGS-SFHVURJKSA-N	1	0	353.422	1.490	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)NCc1ccc(S(C)(=O)=O)cc1)c1ccc(C#N)cc1	ZINC000425460240	816326908	/nfs/dbraw/zinc/32/69/08/816326908.db2.gz	QPNQBYQIXOYFLN-CQSZACIVSA-N	1	0	371.462	1.929	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOC)C1	ZINC001112137836	816701333	/nfs/dbraw/zinc/70/13/33/816701333.db2.gz	HAQDOOGKOCEVTD-NFAWXSAZSA-N	1	0	352.397	1.841	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1	ZINC000425642133	816767086	/nfs/dbraw/zinc/76/70/86/816767086.db2.gz	FJIQCOZBAINRQO-FHWLQOOXSA-N	1	0	359.470	1.778	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N[C@@H]2CC[C@H](C#N)C2)CC1	ZINC000425688929	816853814	/nfs/dbraw/zinc/85/38/14/816853814.db2.gz	DLMHHLBPYWUAQD-JKSUJKDBSA-N	1	0	363.506	1.605	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCN(C(C)C)C2=O)c(OC)c1	ZINC000516762021	816994971	/nfs/dbraw/zinc/99/49/71/816994971.db2.gz	RJLFHOMGZBQQTH-SJORKVTESA-N	1	0	362.470	1.762	20	30		FDEDRO
C=CCn1cc(CNC(=O)C(=O)Nc2cccc(C[NH+](CC)CC)c2)nn1	ZINC000425796139	817039943	/nfs/dbraw/zinc/03/99/43/817039943.db2.gz	NPKCQMYBSKYNKP-UHFFFAOYSA-N	1	0	370.457	1.561	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)CC1	ZINC000425879298	817284203	/nfs/dbraw/zinc/28/42/03/817284203.db2.gz	ZMFMHHOAZQYAFX-HNNXBMFYSA-N	1	0	372.469	1.305	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1	ZINC000425882841	817300245	/nfs/dbraw/zinc/30/02/45/817300245.db2.gz	MNHKUQDIOVNDQA-BVBHFADKSA-N	1	0	371.481	1.645	20	30		FDEDRO
CC[NH+]1CCC(CNC(=O)C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)CC1	ZINC000517232459	817346938	/nfs/dbraw/zinc/34/69/38/817346938.db2.gz	WLGIEGRWXPRKEH-HNNXBMFYSA-N	1	0	356.470	1.926	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1	ZINC001087466775	817377710	/nfs/dbraw/zinc/37/77/10/817377710.db2.gz	KOMNNGHSTKQLAS-KURKYZTESA-N	1	0	359.445	1.907	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(c2cc[nH+]cc2OC)CC1	ZINC000437986028	817424916	/nfs/dbraw/zinc/42/49/16/817424916.db2.gz	NAOHSRGXYDTOQW-QAPCUYQASA-N	1	0	360.458	1.903	20	30		FDEDRO
COC(=O)/C(C)=C/CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000925032983	817582122	/nfs/dbraw/zinc/58/21/22/817582122.db2.gz	APJGEFCEPWFHKV-OQLLNIDSSA-N	1	0	358.442	1.751	20	30		FDEDRO
COC(=O)c1ccc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)c(C#N)n1	ZINC000518564364	817927081	/nfs/dbraw/zinc/92/70/81/817927081.db2.gz	NJGOQDFGRSBKGJ-HNNXBMFYSA-N	1	0	358.442	1.821	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CC[C@@H](CC#N)C3)cn2)CC1	ZINC000296594604	817948474	/nfs/dbraw/zinc/94/84/74/817948474.db2.gz	NXAYNHFZUNFVMX-RDJZCZTQSA-N	1	0	356.474	1.715	20	30		FDEDRO
C[NH+]=C(NCC(=O)N1CCc2ccccc2C1)N(C)Cc1cccn1C	ZINC000261990068	817957822	/nfs/dbraw/zinc/95/78/22/817957822.db2.gz	RCHMDFIRXJELJQ-UHFFFAOYSA-N	1	0	353.470	1.617	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)c2ccco2)CC1	ZINC000983517028	818009763	/nfs/dbraw/zinc/00/97/63/818009763.db2.gz	YMAMPEPQMIDYSR-AEFFLSMTSA-N	1	0	371.481	1.982	20	30		FDEDRO
COC(=O)[C@@H]1[C@@H](C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1(F)F	ZINC000894430687	818046258	/nfs/dbraw/zinc/04/62/58/818046258.db2.gz	IVEAMNZZOUKDKO-ILXRZTDVSA-N	1	0	363.364	1.698	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)c2cn[nH]n2)C1	ZINC001087471291	818047142	/nfs/dbraw/zinc/04/71/42/818047142.db2.gz	YATQELNYSMRFIH-HKUYNNGSSA-N	1	0	367.453	1.815	20	30		FDEDRO
C#CCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)Cc2cc(C)[nH]n2)C1	ZINC001087473602	818236830	/nfs/dbraw/zinc/23/68/30/818236830.db2.gz	MNPZDODAXBRZOF-PMACEKPBSA-N	1	0	366.465	1.877	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2cn(C)nn2)C1	ZINC001087474122	818245405	/nfs/dbraw/zinc/24/54/05/818245405.db2.gz	MVIJPBORJSNNGQ-ROUUACIJSA-N	1	0	367.453	1.435	20	30		FDEDRO
C#CCN(C)CCC[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCOCC2	ZINC000894639666	818275389	/nfs/dbraw/zinc/27/53/89/818275389.db2.gz	QWEVRWLQDFNUKW-IAGOWNOFSA-N	1	0	365.518	1.994	20	30		FDEDRO
C#CCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2cnc[nH]c2=O)C1	ZINC001087474849	818292716	/nfs/dbraw/zinc/29/27/16/818292716.db2.gz	BYYYXEHMKVSWNB-WMZOPIPTSA-N	1	0	366.421	1.412	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)Cc2c[nH]cn2)C1	ZINC001087475817	818342076	/nfs/dbraw/zinc/34/20/76/818342076.db2.gz	DNXAODWIGZGINK-PMACEKPBSA-N	1	0	366.465	1.958	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)Cn2cncn2)C1	ZINC001087476443	818377528	/nfs/dbraw/zinc/37/75/28/818377528.db2.gz	MWMDGFZAVFLRNY-OALUTQOASA-N	1	0	367.453	1.284	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)COc2cccc(Br)c2C#N)CC[N@@H+]1C	ZINC000928432094	818394871	/nfs/dbraw/zinc/39/48/71/818394871.db2.gz	ISNJFFDZYLUBHQ-MFKMUULPSA-N	1	0	352.232	1.908	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1	ZINC000983729896	818845629	/nfs/dbraw/zinc/84/56/29/818845629.db2.gz	XTJMWMDNMYSXSF-XOKHGSTOSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@@H](C)[NH2+]Cc2cnn(C)n2)CC1	ZINC001029155405	818949421	/nfs/dbraw/zinc/94/94/21/818949421.db2.gz	CMNSYPHARMVDKR-JLSDUUJJSA-N	1	0	361.490	1.513	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1	ZINC000664941266	818973022	/nfs/dbraw/zinc/97/30/22/818973022.db2.gz	XRRDLNNJHPIJTN-QGZVFWFLSA-N	1	0	369.469	1.687	20	30		FDEDRO
CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000519846072	819096023	/nfs/dbraw/zinc/09/60/23/819096023.db2.gz	HUNVBJKOPOHKHD-NSHDSACASA-N	1	0	368.384	1.943	20	30		FDEDRO
COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000519903279	819120085	/nfs/dbraw/zinc/12/00/85/819120085.db2.gz	QRORMGKEKGSIIK-MAUKXSAKSA-N	1	0	372.469	1.038	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC([C@H](O)C(=O)OC)CC1	ZINC000441245721	819283388	/nfs/dbraw/zinc/28/33/88/819283388.db2.gz	MXFBLIDLKLFAOO-HKUYNNGSSA-N	1	0	363.454	1.401	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccccc2CNC(=O)N[C@H]2CCCNC2=O)CC1	ZINC000328693211	819535418	/nfs/dbraw/zinc/53/54/18/819535418.db2.gz	SBMDCIWHJKHGKS-SFHVURJKSA-N	1	0	373.501	1.947	20	30		FDEDRO
COc1ccc([C@H](CNC(=O)N2CC(=O)N(C)[C@H](C)C2)[NH+]2CCCC2)cc1	ZINC000328703132	819537228	/nfs/dbraw/zinc/53/72/28/819537228.db2.gz	JZYHDDKPXSLWPL-QAPCUYQASA-N	1	0	374.485	1.909	20	30		FDEDRO
O=C(CN1C(=O)Cn2c(cc3ccccc32)C1=O)N[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000328739787	819542509	/nfs/dbraw/zinc/54/25/09/819542509.db2.gz	MUJYXOPVXOWCKY-CQSZACIVSA-N	1	0	366.421	1.817	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](C)N3CCN(C)CC3)cn2)CC1	ZINC000328761384	819546439	/nfs/dbraw/zinc/54/64/39/819546439.db2.gz	XZEOYPQJZCBDTB-KRWDZBQOSA-N	1	0	374.533	1.316	20	30		FDEDRO
CC(C)c1nnc2ccc(NC(=O)N3CC[NH+](CC(C)(C)O)CC3)cn21	ZINC000328727878	819548474	/nfs/dbraw/zinc/54/84/74/819548474.db2.gz	DMCQAGWVDKOLPH-UHFFFAOYSA-N	1	0	360.462	1.787	20	30		FDEDRO
CC(C)(C)n1ncnc1CNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000328780695	819556077	/nfs/dbraw/zinc/55/60/77/819556077.db2.gz	JFYYFTFWKFHLQV-AWEZNQCLSA-N	1	0	364.494	1.538	20	30		FDEDRO
COCCN1C[C@H](C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1=O	ZINC000328921548	819594179	/nfs/dbraw/zinc/59/41/79/819594179.db2.gz	CFKDZEKVPIAVKO-DJIMGWMZSA-N	1	0	367.490	1.206	20	30		FDEDRO
CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1	ZINC000330471242	819616255	/nfs/dbraw/zinc/61/62/55/819616255.db2.gz	NPJUWFSTPSYAPY-UONOGXRCSA-N	1	0	361.446	1.479	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CCC(CC(=O)N(C)C)CC1	ZINC000331022399	819659581	/nfs/dbraw/zinc/65/95/81/819659581.db2.gz	SRSSSHDEZDVAPP-MRXNPFEDSA-N	1	0	367.538	1.117	20	30		FDEDRO
CCCNC(=O)C1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1	ZINC000331294189	819676698	/nfs/dbraw/zinc/67/66/98/819676698.db2.gz	LZOJVUOYQMDLTM-UHFFFAOYSA-N	1	0	367.538	1.165	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CC[C@H]2COc3ccccc3O2)nc1	ZINC000520569037	820092320	/nfs/dbraw/zinc/09/23/20/820092320.db2.gz	PTJCGHAKWFAOGL-HNNXBMFYSA-N	1	0	373.434	1.547	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3ccc(C)o3)[C@H]2CC)C1=O	ZINC001087545911	821251883	/nfs/dbraw/zinc/25/18/83/821251883.db2.gz	HTYIPCCPFSRRPT-RCCFBDPRSA-N	1	0	359.470	1.887	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)CC1	ZINC000521601135	821302191	/nfs/dbraw/zinc/30/21/91/821302191.db2.gz	RYDBEACAPKJMMA-HOTGVXAUSA-N	1	0	366.506	1.210	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C(=O)NCC2([NH+]3CCCCC3)CCOCC2)cc1	ZINC000780938710	821557524	/nfs/dbraw/zinc/55/75/24/821557524.db2.gz	JLPOMSADXPVRNM-GOSISDBHSA-N	1	0	357.454	1.743	20	30		FDEDRO
CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)[C@H]1CC	ZINC001087608177	821720572	/nfs/dbraw/zinc/72/05/72/821720572.db2.gz	UCGVETIBXVQWHR-HCXYKTFWSA-N	1	0	358.486	1.880	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@H]1CC	ZINC001087622782	821782992	/nfs/dbraw/zinc/78/29/92/821782992.db2.gz	FANUNUCSVSNPHW-JKSUJKDBSA-N	1	0	354.516	1.747	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087628000	821806302	/nfs/dbraw/zinc/80/63/02/821806302.db2.gz	WUVMTVUWWQDLRR-HSALFYBXSA-N	1	0	367.493	1.876	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)[C@H]1CC	ZINC001087635937	821857490	/nfs/dbraw/zinc/85/74/90/821857490.db2.gz	UERFBYFAORAPSP-LSDHHAIUSA-N	1	0	358.446	1.868	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([NH2+]C3CCN(C(=O)C4CC4)CC3)C2=O)cc1	ZINC000524450756	828381024	/nfs/dbraw/zinc/38/10/24/828381024.db2.gz	CVSVSHRDRGKXMK-SFHVURJKSA-N	1	0	352.438	1.654	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CC[N@@H+]1Cc1ccc(OC)c(C#N)c1	ZINC001087685211	822029886	/nfs/dbraw/zinc/02/98/86/822029886.db2.gz	GOMUEVLJORLKEF-YESZJQIVSA-N	1	0	370.453	1.172	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CC[N@@H+]1Cc1ccc(C#N)c(F)c1	ZINC001087685478	822032157	/nfs/dbraw/zinc/03/21/57/822032157.db2.gz	PMXPVAMQXUZLJG-BHYGNILZSA-N	1	0	358.417	1.303	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087686577	822037459	/nfs/dbraw/zinc/03/74/59/822037459.db2.gz	NDXWRHWGFJBPFV-KSZLIROESA-N	1	0	354.454	1.648	20	30		FDEDRO
C=C1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)[C@@H]2CC)CC1	ZINC001087712147	822165891	/nfs/dbraw/zinc/16/58/91/822165891.db2.gz	RBFHPCKFJXMKQW-CEXWTWQISA-N	1	0	360.502	1.960	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](C[C@@H]3CCc4ncnn43)[C@@H]2CC)c1	ZINC001087718961	822186438	/nfs/dbraw/zinc/18/64/38/822186438.db2.gz	SQZIWTMURZJROE-OKZBNKHCSA-N	1	0	364.453	1.425	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@]34CCC[C@H]3OCC4)C2)C1=O	ZINC000984314792	822337004	/nfs/dbraw/zinc/33/70/04/822337004.db2.gz	UFNXJRNRMOLYJZ-RXFYRGCNSA-N	1	0	361.486	1.217	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(C)=O)CC[C@@H]2c2ccccc2)CC1	ZINC000984312766	822343578	/nfs/dbraw/zinc/34/35/78/822343578.db2.gz	YNEBDPQNCMVFRH-NHCUHLMSSA-N	1	0	367.493	1.852	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](CC3CCOCC3)[C@@H]2CC)nn1	ZINC001087756474	822379115	/nfs/dbraw/zinc/37/91/15/822379115.db2.gz	SFNMUHAUUYCSOY-FUHWJXTLSA-N	1	0	361.490	1.864	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3c(C)n[nH]c3C)[C@H]2CC)C1=O	ZINC001087764969	822400114	/nfs/dbraw/zinc/40/01/14/822400114.db2.gz	SPHBACFLZCUOHG-ARFHVFGLSA-N	1	0	359.474	1.396	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CCC(=O)NC[C@H]2CCCN(CC#N)C2)cc1	ZINC000895411571	822588519	/nfs/dbraw/zinc/58/85/19/822588519.db2.gz	LMBFJRWIRAATLU-LJQANCHMSA-N	1	0	372.513	1.911	20	30		FDEDRO
C=CCn1cc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)nn1	ZINC000895445735	822603332	/nfs/dbraw/zinc/60/33/32/822603332.db2.gz	LFYNRAPABXXJPS-GOSISDBHSA-N	1	0	371.489	1.632	20	30		FDEDRO
C[NH+](C)CCCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N	ZINC000895469887	822617600	/nfs/dbraw/zinc/61/76/00/822617600.db2.gz	MTQAPFGUZAZQQO-XAUUPUKJSA-N	1	0	364.490	1.841	20	30		FDEDRO
C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCCCC[C@H](NCC#N)C2)CC1	ZINC001088316045	828465072	/nfs/dbraw/zinc/46/50/72/828465072.db2.gz	OVZYEFBHLGCTPK-OTWHNJEPSA-N	1	0	362.518	1.618	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(C)o4)C[C@@H]3C2)C1=O	ZINC001087875886	822681226	/nfs/dbraw/zinc/68/12/26/822681226.db2.gz	PVKPXZBNBACUIU-IKGGRYGDSA-N	1	0	357.454	1.769	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cn[nH]c4)C[C@@H]3C2)cc1	ZINC001087896224	822751310	/nfs/dbraw/zinc/75/13/10/822751310.db2.gz	UAFQXCHHBDPPQA-AEFFLSMTSA-N	1	0	365.437	1.906	20	30		FDEDRO
C#CC[NH+]1CCC(Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1	ZINC000895808412	822754163	/nfs/dbraw/zinc/75/41/63/822754163.db2.gz	MBSCDHWWYRRKRT-UHFFFAOYSA-N	1	0	358.442	1.937	20	30		FDEDRO
COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCOC4)C[C@@H]3C2)cc1C#N	ZINC001087902677	822779332	/nfs/dbraw/zinc/77/93/32/822779332.db2.gz	JZNYKIYVKFGEQD-AOIWGVFYSA-N	1	0	369.465	1.884	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4n[nH]c(C)c4C)C[C@@H]3C2)C1=O	ZINC001087914883	823808623	/nfs/dbraw/zinc/80/86/23/823808623.db2.gz	JNYPLWVHJDVHRV-IKGGRYGDSA-N	1	0	371.485	1.207	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3cccn3C)[C@H]2CC)CC1	ZINC000984580737	823923353	/nfs/dbraw/zinc/92/33/53/823923353.db2.gz	KSHIPYFWCWMCFM-ZWKOTPCHSA-N	1	0	370.497	1.480	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCc4ccoc4)C[C@@H]3C2)C1=O	ZINC001087928944	823953714	/nfs/dbraw/zinc/95/37/14/823953714.db2.gz	OHVBXXZAGXNUIY-QYZOEREBSA-N	1	0	371.481	1.779	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4CC(F)(F)C4)C[C@@H]3C2)C1=O	ZINC001087929404	823956069	/nfs/dbraw/zinc/95/60/69/823956069.db2.gz	JRWYJRXFFBAHRR-KBMXLJTQSA-N	1	0	367.440	1.599	20	30		FDEDRO
COc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]3C2)n1	ZINC001087940451	824036561	/nfs/dbraw/zinc/03/65/61/824036561.db2.gz	JYFAZGLOFDBOOZ-ZBFHGGJFSA-N	1	0	365.437	1.884	20	30		FDEDRO
N#Cc1cc(C(=O)N2C[C@@H]3C[N@H+](CC(=O)N4CCCCC4)CC[C@@H]3C2)c[nH]1	ZINC001087940491	824037109	/nfs/dbraw/zinc/03/71/09/824037109.db2.gz	LFHRRJHOSWFBDT-WBVHZDCISA-N	1	0	369.469	1.293	20	30		FDEDRO
N#Cc1cc(C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC4CCCC4)CC[C@@H]3C2)c[nH]1	ZINC001087940692	824037623	/nfs/dbraw/zinc/03/76/23/824037623.db2.gz	TTZOWHOXBLNSQV-ZBFHGGJFSA-N	1	0	369.469	1.339	20	30		FDEDRO
C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1	ZINC001087962061	824183161	/nfs/dbraw/zinc/18/31/61/824183161.db2.gz	WIIWYDWPCOIFPD-UHOSZYNNSA-N	1	0	357.498	1.581	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cn([C@@H](C)COC)nc3C)C[C@@H]2C1	ZINC001087966752	824246563	/nfs/dbraw/zinc/24/65/63/824246563.db2.gz	TVQRUAJAZRSGCQ-JQHSSLGASA-N	1	0	358.486	1.816	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)CC(C)(C)C3=O)C[C@@H]2C1	ZINC001087967770	824255741	/nfs/dbraw/zinc/25/57/41/824255741.db2.gz	LAZREHCWZCVNLM-CVEARBPZSA-N	1	0	361.486	1.518	20	30		FDEDRO
CC(C)CNC(=O)N1CCC[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)C1	ZINC000525477855	828630963	/nfs/dbraw/zinc/63/09/63/828630963.db2.gz	MUZBXIOFVTVGMC-QGZVFWFLSA-N	1	0	365.522	1.758	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3coc(S(C)(=O)=O)c3)C[C@@H]2C1	ZINC001087972006	824301854	/nfs/dbraw/zinc/30/18/54/824301854.db2.gz	FRIFADMOSHWMCW-HIFRSBDPSA-N	1	0	350.440	1.100	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)C(C)(C)C)C[C@@H]2C1	ZINC001087976471	824324213	/nfs/dbraw/zinc/32/42/13/824324213.db2.gz	PSJGAMLPCMNOKB-SQNIBIBYSA-N	1	0	359.514	1.827	20	30		FDEDRO
CN(C)C(=O)CNC(NC[C@H]1COC2(CCCCC2)O1)=[NH+]C1CCCC1	ZINC000262266834	824358856	/nfs/dbraw/zinc/35/88/56/824358856.db2.gz	GBEHYXXIQCYXOD-INIZCTEOSA-N	1	0	366.506	1.628	20	30		FDEDRO
N#CCOc1cccc(NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000729557068	824395745	/nfs/dbraw/zinc/39/57/45/824395745.db2.gz	VFYVZNYOUCYHTC-AWEZNQCLSA-N	1	0	359.430	1.298	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NC2(c3ccc4c(c3)OCCO4)CC2)C1	ZINC000896489397	824440874	/nfs/dbraw/zinc/44/08/74/824440874.db2.gz	NOMMMWOKQPQSSR-INIZCTEOSA-N	1	0	355.438	1.844	20	30		FDEDRO
CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)C1	ZINC000329034290	824539977	/nfs/dbraw/zinc/53/99/77/824539977.db2.gz	MJHASJZRTJJTBR-SFNKJDCFSA-N	1	0	367.490	1.206	20	30		FDEDRO
COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCCC12CC[NH+](C)CC2	ZINC000329044372	824544553	/nfs/dbraw/zinc/54/45/53/824544553.db2.gz	FHSNLBIIXSJNAT-AWEZNQCLSA-N	1	0	362.478	1.734	20	30		FDEDRO
Cc1nc(Cn2nnc(NC(=O)N(C)C[C@@H]3CCC[N@H+](C)C3)c2C)no1	ZINC000329074883	824559327	/nfs/dbraw/zinc/55/93/27/824559327.db2.gz	BPBIPTCKJKTKRX-CYBMUJFWSA-N	1	0	362.438	1.145	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@]1(C)O	ZINC000329116800	824602213	/nfs/dbraw/zinc/60/22/13/824602213.db2.gz	ISTQEDXOUKTIBH-AJYBTWMASA-N	1	0	366.550	1.942	20	30		FDEDRO
CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N[C@H](C)[C@H](C)N1CCOCC1	ZINC000329144248	824626118	/nfs/dbraw/zinc/62/61/18/824626118.db2.gz	WDZRDCJVVYGXOA-UGUYLWEFSA-N	1	0	365.478	1.346	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)C2C[NH+](C3CCOCC3)C2)n1	ZINC000897352419	828671144	/nfs/dbraw/zinc/67/11/44/828671144.db2.gz	KSLDFLXEQBWRFI-UHFFFAOYSA-N	1	0	369.400	1.932	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)CC1	ZINC000329153138	824632466	/nfs/dbraw/zinc/63/24/66/824632466.db2.gz	BOQHCEURXDJSEL-QRVBRYPASA-N	1	0	361.534	1.237	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)c3cccc(-n4ccnc4)c3)CC2)C1=O	ZINC000329158242	824633708	/nfs/dbraw/zinc/63/37/08/824633708.db2.gz	DJXPISMNHSDVCI-SFHVURJKSA-N	1	0	367.453	1.872	20	30		FDEDRO
CC(C)[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CCO1	ZINC000329160400	824637839	/nfs/dbraw/zinc/63/78/39/824637839.db2.gz	YEDXLTIGLCXBPC-IKGGRYGDSA-N	1	0	366.506	1.342	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)CNC(=O)c3cccc(O)c3)CC2)C1=O	ZINC000329197228	824661349	/nfs/dbraw/zinc/66/13/49/824661349.db2.gz	VDJKHRWKJNDYDJ-INIZCTEOSA-N	1	0	374.441	1.348	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2CCO[C@@H](Cn3nc(C)nc3C)C2)CC1	ZINC000329198476	824661758	/nfs/dbraw/zinc/66/17/58/824661758.db2.gz	WQIZTNOCKVEVJP-QGZVFWFLSA-N	1	0	364.494	1.037	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cccc(-c4nc[nH]n4)c3)CC2)C1=O	ZINC000329196949	824661766	/nfs/dbraw/zinc/66/17/66/824661766.db2.gz	UZVWFYDHPDHCEH-MRXNPFEDSA-N	1	0	368.441	1.471	20	30		FDEDRO
CC(C)Cc1cc(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)cc(=O)[nH]1	ZINC000329202486	824665155	/nfs/dbraw/zinc/66/51/55/824665155.db2.gz	XBGYIZMHVZOIKU-KRWDZBQOSA-N	1	0	374.485	1.985	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2C2CCOCC2)CC1	ZINC000329429525	824782632	/nfs/dbraw/zinc/78/26/32/824782632.db2.gz	HWVPWZLVLHROGW-RBUKOAKNSA-N	1	0	362.518	1.570	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)[C@]12CCCO2	ZINC000329443430	824795167	/nfs/dbraw/zinc/79/51/67/824795167.db2.gz	AUYGTKIQLRPZKO-IMBTUZDBSA-N	1	0	367.490	1.281	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)[C@@H]1CCCOC1	ZINC000329483125	824828454	/nfs/dbraw/zinc/82/84/54/824828454.db2.gz	FBMCOAAACJHVSZ-UONOGXRCSA-N	1	0	373.461	1.214	20	30		FDEDRO
COc1nnccc1NC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000329587519	824904552	/nfs/dbraw/zinc/90/45/52/824904552.db2.gz	XIJAPCJGOTWMCG-OKILXGFUSA-N	1	0	363.462	1.852	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C	ZINC000984790464	824920854	/nfs/dbraw/zinc/92/08/54/824920854.db2.gz	TZYBQWBCMGOXKX-KSZLIROESA-N	1	0	371.485	1.868	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)n3nnnc3C(C)(C)C)C[C@@H]2C1	ZINC001087989529	824927948	/nfs/dbraw/zinc/92/79/48/824927948.db2.gz	KWLORWBHRWWYMF-OAGGEKHMSA-N	1	0	358.490	1.335	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC(F)(F)F)c3)C[C@@H]2C1	ZINC001087995173	824972265	/nfs/dbraw/zinc/97/22/65/824972265.db2.gz	XAIDKVSWBFGFJI-HIFRSBDPSA-N	1	0	354.376	1.863	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2OCC[C@H]2C)C1	ZINC000984817314	825005022	/nfs/dbraw/zinc/00/50/22/825005022.db2.gz	YPKJSLKUBHHGBC-VWMOJTHMSA-N	1	0	357.454	1.976	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3c3ncccn3)C[C@@H]2C1	ZINC001087999966	825057021	/nfs/dbraw/zinc/05/70/21/825057021.db2.gz	JPZFFMUVMJDWLR-FGTMMUONSA-N	1	0	353.470	1.249	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3c3ncccn3)C[C@@H]2C1	ZINC001088000056	825058497	/nfs/dbraw/zinc/05/84/97/825058497.db2.gz	NTMBCQFQGOADKV-SQNIBIBYSA-N	1	0	355.486	1.802	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCO[C@H]3c3cnn(C)c3)C[C@@H]2C1	ZINC001087998463	825078345	/nfs/dbraw/zinc/07/83/45/825078345.db2.gz	JYFIVJIKNVBOHB-MDNKFWRPSA-N	1	0	370.497	1.691	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@H]3CC3(F)F)[C@H]2CC)CC1	ZINC000984840219	825102608	/nfs/dbraw/zinc/10/26/08/825102608.db2.gz	QCDHFMIXUALWAX-OWCLPIDISA-N	1	0	367.440	1.483	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@@H]1CCCN(c2cccc(F)c2)C1)=[NH+]C1CC1	ZINC000262320463	825174658	/nfs/dbraw/zinc/17/46/58/825174658.db2.gz	RSSGQVUMWFSMAI-MRXNPFEDSA-N	1	0	361.465	1.580	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000984871939	825193730	/nfs/dbraw/zinc/19/37/30/825193730.db2.gz	TUSQYZCUNDJFAE-JQHSSLGASA-N	1	0	371.485	1.868	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cn4c(n3)C[C@H](OC)CC4)C[C@@H]2C1	ZINC001088009892	825213841	/nfs/dbraw/zinc/21/38/41/825213841.db2.gz	AKXPDBLNENPXCI-IXDOHACOSA-N	1	0	358.486	1.814	20	30		FDEDRO
CN1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1=O	ZINC000329680435	825299528	/nfs/dbraw/zinc/29/95/28/825299528.db2.gz	WLJVBUOPKOFMPB-YQQQUEKLSA-N	1	0	370.497	1.913	20	30		FDEDRO
Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N1CCCC12CC[NH+](C)CC2	ZINC000329695293	825322821	/nfs/dbraw/zinc/32/28/21/825322821.db2.gz	BIDKSRCFXSEDQW-DOTOQJQBSA-N	1	0	361.490	1.972	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ncnn2CC)C1	ZINC000984902300	825339417	/nfs/dbraw/zinc/33/94/17/825339417.db2.gz	IAFVWOLGFFQVME-OVWQWFNUSA-N	1	0	361.490	1.654	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3sccc3-n3cnnn3)C[C@@H]2C1	ZINC001088026650	825405678	/nfs/dbraw/zinc/40/56/78/825405678.db2.gz	VDVTXMVGPQOOIV-KGLIPLIRSA-N	1	0	356.455	1.141	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2cc(F)cc3c2OCOC3)C[C@@H]1C	ZINC000329730673	825405710	/nfs/dbraw/zinc/40/57/10/825405710.db2.gz	DGECLYVHVOEJSP-STQMWFEESA-N	1	0	367.421	1.493	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2cc(F)cc3c2OCOC3)C[C@H]1C	ZINC000329730672	825405833	/nfs/dbraw/zinc/40/58/33/825405833.db2.gz	DGECLYVHVOEJSP-OLZOCXBDSA-N	1	0	367.421	1.493	20	30		FDEDRO
CNC(=O)c1ccc(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)cn1	ZINC000329737498	825408641	/nfs/dbraw/zinc/40/86/41/825408641.db2.gz	MEAJCRCQJSXZRL-UHFFFAOYSA-N	1	0	373.501	1.696	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)N[C@@H]1CCCN(c2cnn(C)c2)C1	ZINC000262341003	825499397	/nfs/dbraw/zinc/49/93/97/825499397.db2.gz	CQWWEKVGFIFUCS-BZZMCLGOSA-N	1	0	374.533	1.758	20	30		FDEDRO
COc1cccc([C@H](C)N2C[C@@H](NC(=O)CSCC#N)[C@H](OC)C2)c1	ZINC001211888808	825517940	/nfs/dbraw/zinc/51/79/40/825517940.db2.gz	PNCPSKOZBIBPHN-IAOVAPTHSA-N	1	0	363.483	1.828	20	30		FDEDRO
CC(C)CNC(=O)N1CCC[C@H](CC(=O)N2C[C@@H]3[C@H](C2)OCCN3C)C1	ZINC000329931536	825550376	/nfs/dbraw/zinc/55/03/76/825550376.db2.gz	IHXICVSNGGHTTF-ZACQAIPSSA-N	1	0	366.506	1.200	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1C[C@H](F)CN1c1cccnn1	ZINC000329953447	825562052	/nfs/dbraw/zinc/56/20/52/825562052.db2.gz	NUOAQIIIJGXMSH-XHSDSOJGSA-N	1	0	364.469	1.771	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4nncn4CC3)C[C@@H]2C1	ZINC001088045592	825563301	/nfs/dbraw/zinc/56/33/01/825563301.db2.gz	BUDVKDFQCGQZDP-KSZLIROESA-N	1	0	357.502	1.977	20	30		FDEDRO
O=C(CN1CC[C@@H]([NH+]2CCCCC2)C1)Nc1cc(-n2cnnn2)ccc1F	ZINC000329978429	825574388	/nfs/dbraw/zinc/57/43/88/825574388.db2.gz	HOBFUWZPIRSFMX-OAHLLOKOSA-N	1	0	373.436	1.950	20	30		FDEDRO
C[C@H]1c2nncn2CCN1C(=O)NC1CC[NH+](Cc2ccncc2)CC1	ZINC000330046115	825609395	/nfs/dbraw/zinc/60/93/95/825609395.db2.gz	GSKUWFNCILHQFK-AWEZNQCLSA-N	1	0	355.446	1.628	20	30		FDEDRO
C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)CC[N@@H+]1C	ZINC000330054512	825613441	/nfs/dbraw/zinc/61/34/41/825613441.db2.gz	SCPTXYFZBDLURS-MMTVNHQJSA-N	1	0	362.478	1.909	20	30		FDEDRO
C[C@H](CNC(=O)N[C@H](C)c1nnc2n1CCCC2)C[NH+]1CCN(C)CC1	ZINC000330074567	825622552	/nfs/dbraw/zinc/62/25/52/825622552.db2.gz	LGCGTNXBBKEECJ-HUUCEWRRSA-N	1	0	363.510	1.063	20	30		FDEDRO
O=C(NCc1cccc(N2CCOCC2)n1)NC[C@H]1CC[N@@H+](C2CC2)C1	ZINC000330095529	825634907	/nfs/dbraw/zinc/63/49/07/825634907.db2.gz	VREAKKMKYUDQPV-OAHLLOKOSA-N	1	0	359.474	1.406	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)CS(=O)(=O)N(CC)CC)C[C@]2(C)C1	ZINC001101380148	825654428	/nfs/dbraw/zinc/65/44/28/825654428.db2.gz	PXZKHNVTFSQMQL-AEFFLSMTSA-N	1	0	371.547	1.405	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cn(C)nc3[C@@H]3CCOC3)C[C@@H]2C1	ZINC001088054852	825658797	/nfs/dbraw/zinc/65/87/97/825658797.db2.gz	YTPCJEDQEYGNNV-ZACQAIPSSA-N	1	0	358.486	1.894	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCn2c(nnc2C2CC2)C1	ZINC000330216503	825738085	/nfs/dbraw/zinc/73/80/85/825738085.db2.gz	HVVZJRNROZCVBE-CVEARBPZSA-N	1	0	374.489	1.263	20	30		FDEDRO
CC(C)N1C[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1=O	ZINC000330236428	825749827	/nfs/dbraw/zinc/74/98/27/825749827.db2.gz	AGWGRNHDROOFHW-MRXNPFEDSA-N	1	0	366.506	1.534	20	30		FDEDRO
CC(C)OCCN1CCN(C(=O)N[C@H]2CCOC3(CCOCC3)C2)CC1	ZINC000330254905	825767994	/nfs/dbraw/zinc/76/79/94/825767994.db2.gz	JPWYFOKHYIBUNY-KRWDZBQOSA-N	1	0	369.506	1.671	20	30		FDEDRO
Cn1c(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)s4)CC[C@@H]3C2)c[nH]c1=O	ZINC001088065767	825797063	/nfs/dbraw/zinc/79/70/63/825797063.db2.gz	HVWNELLEMFTVNW-OLZOCXBDSA-N	1	0	371.466	1.653	20	30		FDEDRO
Cn1c(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4)CC[C@@H]3C2)c[nH]c1=O	ZINC001088065746	825797165	/nfs/dbraw/zinc/79/71/65/825797165.db2.gz	GYSNDVPUSCUHNB-SJORKVTESA-N	1	0	365.437	1.591	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](C[C@@H]3CCCS(=O)(=O)C3)CC[C@@H]2C1	ZINC001088067221	825803048	/nfs/dbraw/zinc/80/30/48/825803048.db2.gz	UDFSFNKHKLFTEM-BBWFWOEESA-N	1	0	368.543	1.804	20	30		FDEDRO
Cc1nnc([C@@H]2CN(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)CCO2)[nH]1	ZINC000330290380	825814743	/nfs/dbraw/zinc/81/47/43/825814743.db2.gz	FRWDSWSJCPWWNU-SJORKVTESA-N	1	0	370.457	1.675	20	30		FDEDRO
CO[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cnn(C)c1	ZINC000280994449	825840574	/nfs/dbraw/zinc/84/05/74/825840574.db2.gz	JJPGLPAPYFGWLB-SFHVURJKSA-N	1	0	355.442	1.570	20	30		FDEDRO
N#Cc1ccc(C[C@H](C#N)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1	ZINC000280981197	825844590	/nfs/dbraw/zinc/84/45/90/825844590.db2.gz	ZXTVOGXHAIXHOH-HXUWFJFHSA-N	1	0	365.481	1.481	20	30		FDEDRO
CCCCNc1cc(N2CCN(c3ncccc3C#N)CC2)nc(N)n1	ZINC000281042674	825861346	/nfs/dbraw/zinc/86/13/46/825861346.db2.gz	VVCVYHKAMRJSDT-UHFFFAOYSA-N	1	0	352.446	1.864	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CCCO1	ZINC000281187982	825905752	/nfs/dbraw/zinc/90/57/52/825905752.db2.gz	LDHCLEZCJPUUEH-LPHOPBHVSA-N	1	0	354.454	1.858	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H](Oc3cccnc3N(C)C)C2)C1	ZINC000330322990	825915954	/nfs/dbraw/zinc/91/59/54/825915954.db2.gz	HGNABSVNPCBPJU-JKSUJKDBSA-N	1	0	361.490	1.999	20	30		FDEDRO
Cn1ncc2c1CCC[C@@H]2NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1	ZINC000330338925	825943078	/nfs/dbraw/zinc/94/30/78/825943078.db2.gz	WAWNZVURHPMGFZ-SFHVURJKSA-N	1	0	374.533	1.671	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccn(CC[NH+](C)C)n1	ZINC000522721854	825997265	/nfs/dbraw/zinc/99/72/65/825997265.db2.gz	FWIYIBUFTDFYMV-UHFFFAOYSA-N	1	0	356.430	1.605	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)/C=C/C3CC3)[C@@H]2CC)CC1	ZINC000984989395	826006645	/nfs/dbraw/zinc/00/66/45/826006645.db2.gz	QTQYRSFWZWJSAS-YZPMEYCISA-N	1	0	357.498	1.794	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[C@H]5C[C@H]5C4)C[C@@H]3C2)C1=O	ZINC001088077713	826060397	/nfs/dbraw/zinc/06/03/97/826060397.db2.gz	NFTIJQQHSQGSTM-VLUPQCQJSA-N	1	0	357.498	1.600	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCCN3C3CCCC3)C[C@@H]2C1	ZINC001088079055	826130269	/nfs/dbraw/zinc/13/02/69/826130269.db2.gz	KODZMVJHQZPTKF-WSTZPKSXSA-N	1	0	361.530	1.986	20	30		FDEDRO
N#Cc1ccc(C2(C(=O)NCCCC[NH+]3CCN(CCO)CC3)CC2)cc1	ZINC000444254257	826490807	/nfs/dbraw/zinc/49/08/07/826490807.db2.gz	RYCPGQUFULMLHO-UHFFFAOYSA-N	1	0	370.497	1.096	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CCS(=O)(=O)CC3)C[C@@H]2C1	ZINC001088127835	826548562	/nfs/dbraw/zinc/54/85/62/826548562.db2.gz	PTWIZGOGKBQASO-SJORKVTESA-N	1	0	354.516	1.558	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H]3C[N@@H+](CCn4cccn4)CC[C@@H]3C2)nn1	ZINC001088135315	826588020	/nfs/dbraw/zinc/58/80/20/826588020.db2.gz	FWAQMVXJHBERMV-SJORKVTESA-N	1	0	369.473	1.145	20	30		FDEDRO
Cn1ncc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)c(F)c4)CC[C@@H]3C2)n1	ZINC001088139610	826641712	/nfs/dbraw/zinc/64/17/12/826641712.db2.gz	VRUWZXRUGSOBEL-CVEARBPZSA-N	1	0	368.416	1.420	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4c(C)n[nH]c4C)C[C@@H]3C2)C1=O	ZINC001088143173	826689568	/nfs/dbraw/zinc/68/95/68/826689568.db2.gz	XHOWLBZWGFOBCN-IXDOHACOSA-N	1	0	371.485	1.207	20	30		FDEDRO
CS(=O)(=O)Nc1ccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)cc1	ZINC000262444976	826945346	/nfs/dbraw/zinc/94/53/46/826945346.db2.gz	DCAWHCCMXUSZDW-INIZCTEOSA-N	1	0	374.466	1.986	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2CC)cc1	ZINC000985230783	826968235	/nfs/dbraw/zinc/96/82/35/826968235.db2.gz	XBMREXFFKBIDBC-IPMKNSEASA-N	1	0	353.466	1.871	20	30		FDEDRO
CC[NH+]=C(NCC(C)(C)N1CCOCC1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C	ZINC000262449488	826969195	/nfs/dbraw/zinc/96/91/95/826969195.db2.gz	QVRAUOUXZXADQY-BBWFWOEESA-N	1	0	366.550	1.856	20	30		FDEDRO
N#Cc1cc(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)ncc1Br	ZINC000897219328	827179482	/nfs/dbraw/zinc/17/94/82/827179482.db2.gz	KLOFRMKVPSLCJN-ZIAGYGMSSA-N	1	0	351.248	1.751	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2ccc(C#N)nn2)CC[N@@H+]1C	ZINC001059515712	827184929	/nfs/dbraw/zinc/18/49/29/827184929.db2.gz	PUGULQLZSZUQRN-DNUGQZQRSA-N	1	0	354.458	1.304	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H]2C[N@H+](C[C@@H](CC)OC)CC[C@@H]2C1	ZINC001088175004	827223945	/nfs/dbraw/zinc/22/39/45/827223945.db2.gz	YYEZRTYXLLJMAH-FGTMMUONSA-N	1	0	371.481	1.913	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](CCc4cnn(C)c4)CC[C@@H]3C2)cn1	ZINC001088175494	827225848	/nfs/dbraw/zinc/22/58/48/827225848.db2.gz	YXIFMYDEZUBPHS-MOPGFXCFSA-N	1	0	363.465	1.433	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cccc(NC(C)=O)c3)C[C@@H]2C1	ZINC001088177941	827259144	/nfs/dbraw/zinc/25/91/44/827259144.db2.gz	JGBDEHUIUHMTKK-MOPGFXCFSA-N	1	0	353.466	1.991	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CC1CC[NH+](C)CC1	ZINC000987539437	833206499	/nfs/dbraw/zinc/20/64/99/833206499.db2.gz	CCHHKHHEOHPZAQ-CJNGLKHVSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2C)cc1	ZINC000523034481	827584939	/nfs/dbraw/zinc/58/49/39/827584939.db2.gz	MGYQXXZSWJNQLC-OAHLLOKOSA-N	1	0	359.430	1.143	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2CC)c1	ZINC000985437472	827828546	/nfs/dbraw/zinc/82/85/46/827828546.db2.gz	XQULBMIIAVNLCS-ZWKOTPCHSA-N	1	0	354.454	1.268	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCCOC2)C[C@H]1C(F)(F)F	ZINC001112184932	827853749	/nfs/dbraw/zinc/85/37/49/827853749.db2.gz	LVJDAYJJJJVERN-FMKPAKJESA-N	1	0	362.392	1.432	20	30		FDEDRO
CN1C[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)CC1=O	ZINC001075855682	827938855	/nfs/dbraw/zinc/93/88/55/827938855.db2.gz	OEZFNAFZRRBDHT-RCCFBDPRSA-N	1	0	352.438	1.069	20	30		FDEDRO
COc1cc(C[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)ccc1C#N	ZINC000440802906	828328529	/nfs/dbraw/zinc/32/85/29/828328529.db2.gz	TVULSSJIIZGDCT-UHFFFAOYSA-N	1	0	352.394	1.072	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)C[C@@H]2CCc3ncnn32)CC1	ZINC000985662375	828864332	/nfs/dbraw/zinc/86/43/32/828864332.db2.gz	SMGGQGAUMSSARI-BBWFWOEESA-N	1	0	359.474	1.279	20	30		FDEDRO
O=C(C[NH2+][C@H](CO)[C@@H]1CCCO1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000447905909	828932808	/nfs/dbraw/zinc/93/28/08/828932808.db2.gz	VYWPKTABMKIAKP-CVEARBPZSA-N	1	0	370.371	1.303	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc2ccncc21	ZINC000527117517	828965530	/nfs/dbraw/zinc/96/55/30/828965530.db2.gz	LGJLEWOJLUMINV-UHFFFAOYSA-N	1	0	353.426	1.867	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)C[C@H]4CCNC4=O)[C@@H]3C2)c1	ZINC001075874148	828986541	/nfs/dbraw/zinc/98/65/41/828986541.db2.gz	IWPXNFPMDWLTDH-FGTMMUONSA-N	1	0	352.438	1.117	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cnn(C)c1C#N	ZINC000527244513	829001844	/nfs/dbraw/zinc/00/18/44/829001844.db2.gz	BKJVESIRIIOQEF-MRXNPFEDSA-N	1	0	352.442	1.813	20	30		FDEDRO
COC(=O)C1(CN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1	ZINC000448525283	829166981	/nfs/dbraw/zinc/16/69/81/829166981.db2.gz	PMOHUXMHXTZJJS-UHFFFAOYSA-N	1	0	356.382	1.881	20	30		FDEDRO
CCCCNC(=O)[C@H](C)N1C[C@@H]2CCC[C@]2(NC(=O)CSCC#N)C1	ZINC001111602555	829259788	/nfs/dbraw/zinc/25/97/88/829259788.db2.gz	HPAYMMQPABXBCN-MPGHIAIKSA-N	1	0	366.531	1.519	20	30		FDEDRO
CN(C)C(=O)C1CC[NH+](CC#CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000528337472	829357901	/nfs/dbraw/zinc/35/79/01/829357901.db2.gz	IQKSKOQPMBIHEV-UHFFFAOYSA-N	1	0	353.422	1.086	20	30		FDEDRO
C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C[C@@H](O)COc2ccccc2C#N)C[C@H](C)O1	ZINC000528355950	829365691	/nfs/dbraw/zinc/36/56/91/829365691.db2.gz	AAMNIRWMLIGFLP-KVPLUYHFSA-N	1	0	373.497	1.872	20	30		FDEDRO
CC[NH+](CC)C[C@@H]1CCN(CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000528394507	829382135	/nfs/dbraw/zinc/38/21/35/829382135.db2.gz	LBRQMFFSRCPOCR-KRWDZBQOSA-N	1	0	353.466	1.950	20	30		FDEDRO
Cn1ccnc1[C@@H](O)C1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1	ZINC000528424262	829404267	/nfs/dbraw/zinc/40/42/67/829404267.db2.gz	LMGLWZHYTRRGTQ-MJGOQNOKSA-N	1	0	370.453	1.477	20	30		FDEDRO
Cc1cc(NC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)nn1CCC#N	ZINC000528684455	829511434	/nfs/dbraw/zinc/51/14/34/829511434.db2.gz	FZQDKGAWODZEPM-INIZCTEOSA-N	1	0	360.462	1.728	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1	ZINC000528780938	829560279	/nfs/dbraw/zinc/56/02/79/829560279.db2.gz	FDVSSOUCXLPZHE-MDZRGWNJSA-N	1	0	355.394	1.518	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](CN(C)Cc2cn(CC)nn2)C1	ZINC001029864159	829565653	/nfs/dbraw/zinc/56/56/53/829565653.db2.gz	GPAGIQUCXXBZKV-SZMVWBNQSA-N	1	0	361.490	1.560	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001059648051	829601918	/nfs/dbraw/zinc/60/19/18/829601918.db2.gz	LTCSAGUMCAHKNM-OKZBNKHCSA-N	1	0	363.502	1.111	20	30		FDEDRO
COCc1ccc(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cc1C#N	ZINC000529205537	829761060	/nfs/dbraw/zinc/76/10/60/829761060.db2.gz	ODZIBFBGDCLDMV-UHFFFAOYSA-N	1	0	359.474	1.852	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC(=O)N2C)C[C@H]1C(F)(F)F	ZINC001112199963	829993012	/nfs/dbraw/zinc/99/30/12/829993012.db2.gz	FEVAZWXUZVHVJU-MCIONIFRSA-N	1	0	361.408	1.942	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C4=CCCC4)C[C@@H]3C2)CC1	ZINC000985951934	830178155	/nfs/dbraw/zinc/17/81/55/830178155.db2.gz	PYSCBPJAKUMGQM-UXHICEINSA-N	1	0	369.509	1.749	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@](C[NH2+]CCO)(c2ccccc2)C1	ZINC001105425510	830229577	/nfs/dbraw/zinc/22/95/77/830229577.db2.gz	KLSWLRPFQPAGJN-BNDYYXHWSA-N	1	0	358.482	1.766	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1	ZINC000451684258	830427369	/nfs/dbraw/zinc/42/73/69/830427369.db2.gz	UVWWFXMWXOTDNQ-UXHICEINSA-N	1	0	357.498	1.854	20	30		FDEDRO
CN(C)C(=O)N[C@H]1CCCN(CC(=O)N(CCC#N)c2ccccc2)C1	ZINC000451989134	830485606	/nfs/dbraw/zinc/48/56/06/830485606.db2.gz	HTDQFCQBLLUVIR-INIZCTEOSA-N	1	0	357.458	1.669	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@@H]([NH2+]C[C@H]2CCCN2c2cccnn2)C1=O	ZINC000530961793	830491495	/nfs/dbraw/zinc/49/14/95/830491495.db2.gz	BVMSVTAHHHDJKK-HUUCEWRRSA-N	1	0	368.466	1.774	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1	ZINC000986082276	830591609	/nfs/dbraw/zinc/59/16/09/830591609.db2.gz	INVDOZJSXHVFDN-QYZOEREBSA-N	1	0	357.498	1.581	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1	ZINC000986084340	830605798	/nfs/dbraw/zinc/60/57/98/830605798.db2.gz	SRARIMAIARAPFM-HSALFYBXSA-N	1	0	371.525	1.970	20	30		FDEDRO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCC[N@H+](CCCO)C1	ZINC000452377408	830639563	/nfs/dbraw/zinc/63/95/63/830639563.db2.gz	RCGGCNCPIIQWRP-PKOBYXMFSA-N	1	0	359.470	1.925	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N2C[C@@H]3CN(C(=O)C#CC4CC4)CC[C@@H]3C2)CC1	ZINC000986096520	830719375	/nfs/dbraw/zinc/71/93/75/830719375.db2.gz	CUQYRZPMNVISMD-MOPGFXCFSA-N	1	0	357.498	1.439	20	30		FDEDRO
C=C(C)Cn1c(CCCC)nnc1N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1	ZINC000453450846	830942497	/nfs/dbraw/zinc/94/24/97/830942497.db2.gz	IIFYDRFSRLJUMP-QGZVFWFLSA-N	1	0	374.533	1.988	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)ccc1C#N	ZINC000453584589	830958050	/nfs/dbraw/zinc/95/80/50/830958050.db2.gz	WMNPFJKPHSBETR-INIZCTEOSA-N	1	0	351.410	1.619	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1cccc(CC#N)c1	ZINC000453646239	830981461	/nfs/dbraw/zinc/98/14/61/830981461.db2.gz	UJBTZWJPVKZXDT-UHFFFAOYSA-N	1	0	365.437	1.677	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)ccc1C#N	ZINC000453645221	830981699	/nfs/dbraw/zinc/98/16/99/830981699.db2.gz	FVMFCFLONHKRFU-INIZCTEOSA-N	1	0	355.442	1.677	20	30		FDEDRO
CC(C)(C)Oc1ccc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)cc1C#N	ZINC000453720280	831040801	/nfs/dbraw/zinc/04/08/01/831040801.db2.gz	ARYVFLKFNQQIFS-UHFFFAOYSA-N	1	0	370.453	1.981	20	30		FDEDRO
C=CC(C)(C)CNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1	ZINC000453883142	831167362	/nfs/dbraw/zinc/16/73/62/831167362.db2.gz	UCPLTHQNHVMQCT-UHFFFAOYSA-N	1	0	374.441	1.423	20	30		FDEDRO
CC#CC[N@@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001029921705	831238416	/nfs/dbraw/zinc/23/84/16/831238416.db2.gz	PPCYSFTVDNGNJP-OTWHNJEPSA-N	1	0	353.466	1.624	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4C[C@H]4C)C[C@H]3C2)CC1	ZINC000986246222	831357249	/nfs/dbraw/zinc/35/72/49/831357249.db2.gz	NSISTXLXBRXTIQ-OQIJWPOYSA-N	1	0	357.498	1.295	20	30		FDEDRO
C[NH+]=C(NCCNC(=O)c1ccc(O)cc1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	ZINC000262777265	831380885	/nfs/dbraw/zinc/38/08/85/831380885.db2.gz	JQKKLOQTQUDYMS-XHSDSOJGSA-N	1	0	360.458	1.101	20	30		FDEDRO
C[NH+](C)C1(C(=O)N2C[C@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@H]3C2)CCC1	ZINC000986260100	831392813	/nfs/dbraw/zinc/39/28/13/831392813.db2.gz	SMSFOMYPHNIFFM-ZBFHGGJFSA-N	1	0	369.469	1.291	20	30		FDEDRO
C[NH+](C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1)C1CC1	ZINC000986261455	831397100	/nfs/dbraw/zinc/39/71/00/831397100.db2.gz	MTBDBXBJTBGITM-UWWQBHOKSA-N	1	0	369.469	1.147	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1)[NH+](C)C	ZINC000986263608	831402127	/nfs/dbraw/zinc/40/21/27/831402127.db2.gz	XQEZIKKCPJKQOP-HFTRVMKXSA-N	1	0	371.485	1.393	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)CCc4c[nH]cn4)C[C@@H]3C2)[nH]1	ZINC000986276759	831418839	/nfs/dbraw/zinc/41/88/39/831418839.db2.gz	QBXOPRVSRBMPSB-KGLIPLIRSA-N	1	0	366.425	1.163	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]2C1	ZINC000986249722	831422337	/nfs/dbraw/zinc/42/23/37/831422337.db2.gz	LTVZDPSBKWXBQB-CEXWTWQISA-N	1	0	357.498	1.581	20	30		FDEDRO
C[N@H+](CC(=O)N1C[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1)C1CCC1	ZINC000986284031	831431440	/nfs/dbraw/zinc/43/14/40/831431440.db2.gz	WUNDIHZQNZYCCW-ZBFHGGJFSA-N	1	0	369.469	1.291	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]3C2)nc1	ZINC000986320946	831484267	/nfs/dbraw/zinc/48/42/67/831484267.db2.gz	KPINRGUNBBUOBC-ZIFCJYIRSA-N	1	0	368.481	1.324	20	30		FDEDRO
CCOc1cccc([C@@H]2C[C@H]2NC(=[NH2+])N2CCN(c3ncccn3)CC2)c1	ZINC000262803626	831510341	/nfs/dbraw/zinc/51/03/41/831510341.db2.gz	MXBPIPIIHIAGOG-ZWKOTPCHSA-N	1	0	366.469	1.868	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[C@H]1C(=O)N(C)C)C[C@@H](C)O2	ZINC001098635501	831849074	/nfs/dbraw/zinc/84/90/74/831849074.db2.gz	LGUYZVOLUYOCGO-ZACQAIPSSA-N	1	0	363.502	1.369	20	30		FDEDRO
C[NH+](C)Cc1ccoc1C(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]2C1	ZINC000986572064	831956693	/nfs/dbraw/zinc/95/66/93/831956693.db2.gz	DNRMFUZPMVAYNQ-AEFFLSMTSA-N	1	0	369.465	1.675	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)[C@H]2C)c1	ZINC000988839952	837593114	/nfs/dbraw/zinc/59/31/14/837593114.db2.gz	CQRJLAUDJSKING-FHLIZLRMSA-N	1	0	354.454	1.266	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCOC)C1	ZINC001112215931	832371901	/nfs/dbraw/zinc/37/19/01/832371901.db2.gz	ORWJFTSISBKQKL-ZIAGYGMSSA-N	1	0	368.396	1.221	20	30		FDEDRO
[NH2+]=C(NCC1(N2CCOCC2)CCOCC1)N[C@@H]1CCOc2ccccc21	ZINC000263101182	832393307	/nfs/dbraw/zinc/39/33/07/832393307.db2.gz	JYFRHQQYUJVWHZ-QGZVFWFLSA-N	1	0	374.485	1.296	20	30		FDEDRO
C[NH+]=C(NC[C@@]1(N2CCOCC2)CCSC1)N1CCc2ccccc2C1	ZINC000263107203	832408765	/nfs/dbraw/zinc/40/87/65/832408765.db2.gz	DBJUNDQTKOJSJB-FQEVSTJZSA-N	1	0	374.554	1.828	20	30		FDEDRO
COc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[C@H]3COC(=O)C3)[C@H]2C)cc1C#N	ZINC001088523147	832410089	/nfs/dbraw/zinc/41/00/89/832410089.db2.gz	SSKSNJZPMWPBFN-UNEWFSDZSA-N	1	0	371.437	1.599	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21	ZINC001075885090	832511819	/nfs/dbraw/zinc/51/18/19/832511819.db2.gz	DYVQEJQMRVOFGI-LZLYRXPVSA-N	1	0	356.470	1.441	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1C	ZINC000987646427	833511929	/nfs/dbraw/zinc/51/19/29/833511929.db2.gz	GHJUUULWSUFEPF-JLSDUUJJSA-N	1	0	371.485	1.868	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[NH+]1CCC(CCO)(CCO)CC1	ZINC000640010552	833612484	/nfs/dbraw/zinc/61/24/84/833612484.db2.gz	HVKQESYGLIJDQR-UHFFFAOYSA-N	1	0	370.449	1.133	20	30		FDEDRO
C#CC[C@H]1CCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1	ZINC000888160156	833697956	/nfs/dbraw/zinc/69/79/56/833697956.db2.gz	BBNAHIOCEYVMJA-SFHVURJKSA-N	1	0	370.501	1.434	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3ccncc3C)[C@H]2C)CC1	ZINC000987863945	833733576	/nfs/dbraw/zinc/73/35/76/833733576.db2.gz	VTWGARVFMFYNNA-APWZRJJASA-N	1	0	368.481	1.454	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C(C)C)[C@H]2C)cn1	ZINC000987974156	833850971	/nfs/dbraw/zinc/85/09/71/833850971.db2.gz	GCXPRFIPXOCWQM-AYOQOUSVSA-N	1	0	368.481	1.655	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@@H]1C	ZINC000987978104	833857982	/nfs/dbraw/zinc/85/79/82/833857982.db2.gz	WVTJLWKUUPIMKP-KMFMINBZSA-N	1	0	357.458	1.478	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC000988033361	833905617	/nfs/dbraw/zinc/90/56/17/833905617.db2.gz	WKBSFGQHNKXLHX-KBAYOESNSA-N	1	0	368.481	1.324	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2C)cc1	ZINC000988090044	834020242	/nfs/dbraw/zinc/02/02/42/834020242.db2.gz	JKTLMESTPDHXGS-SUMDDJOVSA-N	1	0	371.481	1.922	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C)cc1	ZINC000988099782	834048290	/nfs/dbraw/zinc/04/82/90/834048290.db2.gz	XBBQQBWVJCADNH-AYBZRNKSSA-N	1	0	369.465	1.370	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)Cc3ccccc3)[C@H]2C)CC1	ZINC000988858801	837730360	/nfs/dbraw/zinc/73/03/60/837730360.db2.gz	VDRCEXXVXSUMNR-XLIONFOSSA-N	1	0	367.493	1.680	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@](O)(C3(C(=O)OC)CCC3)C2)CC1	ZINC000888201546	834431278	/nfs/dbraw/zinc/43/12/78/834431278.db2.gz	RUWIDXSKYXSSSZ-FQEVSTJZSA-N	1	0	362.470	1.028	20	30		FDEDRO
COC(=O)c1ccn(CC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1	ZINC000888222886	835197274	/nfs/dbraw/zinc/19/72/74/835197274.db2.gz	SUIDJOUZBMSXSH-UHFFFAOYSA-N	1	0	369.425	1.132	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)[C@@H]2C)CC1	ZINC000988505950	835657351	/nfs/dbraw/zinc/65/73/51/835657351.db2.gz	FSWLZHSYRUPWKK-FDPIWHGQSA-N	1	0	357.498	1.483	20	30		FDEDRO
N#Cc1cccnc1-n1cc(NC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)cn1	ZINC000455138303	835919850	/nfs/dbraw/zinc/91/98/50/835919850.db2.gz	ISJXTEWVOBNWBA-HNNXBMFYSA-N	1	0	369.429	1.107	20	30		FDEDRO
C[C@@H](Cc1cnn(C)c1)NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000455488344	836089225	/nfs/dbraw/zinc/08/92/25/836089225.db2.gz	UQXAWEPZPAAXFU-INIZCTEOSA-N	1	0	366.469	1.750	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3[nH]cnc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105669232	844158724	/nfs/dbraw/zinc/15/87/24/844158724.db2.gz	QGWVITFTLRQJGS-CIWUYKSXSA-N	1	0	358.486	1.575	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(CC(=O)N3CCO[C@@H](C)C3)[C@@H]2C)cc1	ZINC001088786850	844170826	/nfs/dbraw/zinc/17/08/26/844170826.db2.gz	CGIVFWSDVPVRQF-FCEWJHQRSA-N	1	0	369.465	1.108	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(CC)on3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105669336	844208340	/nfs/dbraw/zinc/20/83/40/844208340.db2.gz	QWXPLHRRRYEAHD-MLYOOKFZSA-N	1	0	359.470	1.840	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001075919461	836938115	/nfs/dbraw/zinc/93/81/15/836938115.db2.gz	LMHRIQAWSMFEPH-JKSUJKDBSA-N	1	0	351.410	1.642	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)/C=C\c2ccc[nH]2)[C@@H]1C	ZINC000988738366	836943242	/nfs/dbraw/zinc/94/32/42/836943242.db2.gz	NKYLPMRCUJRSBW-KIXTVLGQSA-N	1	0	354.454	1.231	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1OC	ZINC001212092469	837104523	/nfs/dbraw/zinc/10/45/23/837104523.db2.gz	BPDWBNMOMQQCFK-RTBURBONSA-N	1	0	362.470	1.477	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cn1	ZINC000938040069	837193648	/nfs/dbraw/zinc/19/36/48/837193648.db2.gz	UKJNMLDOFJUNGC-OKZBNKHCSA-N	1	0	354.454	1.124	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)[C@H]2C)nc1	ZINC000989047925	838209832	/nfs/dbraw/zinc/20/98/32/838209832.db2.gz	AGVFBVASGRRLTL-OIISXLGYSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)OC2(CC[NH+](CCO)CC2)C1	ZINC001098646886	838326616	/nfs/dbraw/zinc/32/66/16/838326616.db2.gz	YRQWDKUKJMSKAQ-IKGGRYGDSA-N	1	0	352.475	1.042	20	30		FDEDRO
C[N@H+](CCCCNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)C1CC1	ZINC000455624262	838396893	/nfs/dbraw/zinc/39/68/93/838396893.db2.gz	WONWJDMZLJNQES-KRWDZBQOSA-N	1	0	357.458	1.990	20	30		FDEDRO
C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1	ZINC000273395211	838445612	/nfs/dbraw/zinc/44/56/12/838445612.db2.gz	HHIXMXDRQNNMBW-INIZCTEOSA-N	1	0	363.458	1.399	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C	ZINC000989140334	838463427	/nfs/dbraw/zinc/46/34/27/838463427.db2.gz	UZEUMMLPAOERIK-NFAWXSAZSA-N	1	0	352.398	1.146	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1C	ZINC000989190974	838643720	/nfs/dbraw/zinc/64/37/20/838643720.db2.gz	MECXDRNGBPAKPY-UZLBHIALSA-N	1	0	367.493	1.800	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C	ZINC000989191614	838647246	/nfs/dbraw/zinc/64/72/46/838647246.db2.gz	RIBZAEQONJHNGA-APWZRJJASA-N	1	0	353.466	1.412	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C[NH2+]C2(C(N)=O)C3CC4CC(C3)CC2C4)cc1	ZINC000459764903	838941254	/nfs/dbraw/zinc/94/12/54/838941254.db2.gz	CVIFGWPEXBVWJT-UHFFFAOYSA-N	1	0	366.465	1.444	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C[C@@H]1C	ZINC000459925169	839090242	/nfs/dbraw/zinc/09/02/42/839090242.db2.gz	HNSOFUAWEKVONE-SJORKVTESA-N	1	0	370.497	1.953	20	30		FDEDRO
COc1ccc(CNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1C#N	ZINC000841864603	839485595	/nfs/dbraw/zinc/48/55/95/839485595.db2.gz	ZXXPNUPJGDNOTQ-MRXNPFEDSA-N	1	0	373.457	1.096	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+][C@@H]1C[C@]2(CN(C(C)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105582882	840009277	/nfs/dbraw/zinc/00/92/77/840009277.db2.gz	ZEIGELIXHVVTKK-HNBVOPMISA-N	1	0	363.502	1.173	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)[C@@H](C)C[N@@H+]1C	ZINC000476161986	840052317	/nfs/dbraw/zinc/05/23/17/840052317.db2.gz	NQSNHBPBMOCZFR-RVKKMQEKSA-N	1	0	354.454	1.600	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccoc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105593465	840260012	/nfs/dbraw/zinc/26/00/12/840260012.db2.gz	ADKINKYOEWTIIR-MLYOOKFZSA-N	1	0	360.454	1.509	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1	ZINC000667541956	844539652	/nfs/dbraw/zinc/53/96/52/844539652.db2.gz	GJGNLOKHGNOKDR-CZUORRHYSA-N	1	0	371.441	1.143	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1	ZINC000667551911	844560426	/nfs/dbraw/zinc/56/04/26/844560426.db2.gz	BVURDPXMYUMVCA-XJKSGUPXSA-N	1	0	373.457	1.518	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)CCCC[NH+]1CCCCC1	ZINC000898044922	840685506	/nfs/dbraw/zinc/68/55/06/840685506.db2.gz	DGGCMLNJZMTPFE-ROUUACIJSA-N	1	0	365.518	1.808	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N(C)CCCC[NH+]1CCCCC1	ZINC000898044924	840685654	/nfs/dbraw/zinc/68/56/54/840685654.db2.gz	DGGCMLNJZMTPFE-ZWKOTPCHSA-N	1	0	365.518	1.808	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)c1	ZINC000898050862	840691323	/nfs/dbraw/zinc/69/13/23/840691323.db2.gz	IMRSBQLDVDECAQ-MRXNPFEDSA-N	1	0	362.433	1.416	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C)nc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105598243	840767575	/nfs/dbraw/zinc/76/75/75/840767575.db2.gz	MWYAXDSQSDORJC-XCJLJZCSSA-N	1	0	355.482	1.993	20	30		FDEDRO
CCOC(=O)N1C[C@H](CO)[C@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)C1	ZINC000898360011	840966390	/nfs/dbraw/zinc/96/63/90/840966390.db2.gz	WSLKIMBKHSECME-SJLPKXTDSA-N	1	0	360.458	1.575	20	30		FDEDRO
C=CCN(C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C(C)C	ZINC000898329988	840969246	/nfs/dbraw/zinc/96/92/46/840969246.db2.gz	UPYQWIVODZLDAA-UHFFFAOYSA-N	1	0	358.486	1.478	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnc(F)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105603087	841163395	/nfs/dbraw/zinc/16/33/95/841163395.db2.gz	DFHHTRBHWJZGTM-QQTQMKHKSA-N	1	0	359.445	1.824	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCOCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105604708	841184375	/nfs/dbraw/zinc/18/43/75/841184375.db2.gz	WUDUZPQGRNCWBU-JYBIWHBTSA-N	1	0	350.503	1.793	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(CC)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105607582	841232208	/nfs/dbraw/zinc/23/22/08/841232208.db2.gz	UGDJXRCWXILINI-XSYGEPLQSA-N	1	0	358.486	1.506	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COC(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105607742	841233401	/nfs/dbraw/zinc/23/34/01/841233401.db2.gz	WYZGFUPJVJWWAQ-LFGUQSLTSA-N	1	0	368.518	1.580	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3ccn(C)c3C)[C@H]2C)CC1	ZINC000989767259	841444395	/nfs/dbraw/zinc/44/43/95/841444395.db2.gz	IHKPLXJQGNPORD-APWZRJJASA-N	1	0	370.497	1.398	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H]2C)c1	ZINC000989804225	841473963	/nfs/dbraw/zinc/47/39/63/841473963.db2.gz	NRUZSADSGODTEI-LZQZEXGQSA-N	1	0	368.481	1.657	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1C[C@H](OCC)C12CCC2)N[C@@H]1CCc2nc(C)nn2C1	ZINC000151045262	861234372	/nfs/dbraw/zinc/23/43/72/861234372.db2.gz	WJYSAXMZXBIGFC-OAGGEKHMSA-N	1	0	360.506	1.804	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnccc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105612177	841961967	/nfs/dbraw/zinc/96/19/67/841961967.db2.gz	YDGQLBPQIZKFNE-ANTGDGSKSA-N	1	0	355.482	1.993	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CNC(=O)CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105614941	842228544	/nfs/dbraw/zinc/22/85/44/842228544.db2.gz	LTYGCLZZKOALQK-LTDCPUDJSA-N	1	0	351.491	1.055	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnn3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105618792	842234440	/nfs/dbraw/zinc/23/44/40/842234440.db2.gz	ARMCREKPPFAGPR-DLVXIWMQSA-N	1	0	358.486	1.506	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(=O)NCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619101	842235895	/nfs/dbraw/zinc/23/58/95/842235895.db2.gz	FTAWAOJBBXSQIZ-SMOSDQRPSA-N	1	0	365.518	1.445	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)ncn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619322	842236692	/nfs/dbraw/zinc/23/66/92/842236692.db2.gz	IZDPVZPPSFUIOU-MLYOOKFZSA-N	1	0	358.486	1.941	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(=O)NCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105620241	842243010	/nfs/dbraw/zinc/24/30/10/842243010.db2.gz	YNAIXPLHENYGNN-SMOSDQRPSA-N	1	0	365.518	1.445	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cncnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105622552	842247335	/nfs/dbraw/zinc/24/73/35/842247335.db2.gz	CPIVQFXGPIFONE-JYBIWHBTSA-N	1	0	356.470	1.009	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COC(C)(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105623121	842250425	/nfs/dbraw/zinc/25/04/25/842250425.db2.gz	NAFGZKDUKNHJTN-ZTRFORPCSA-N	1	0	350.503	1.791	20	30		FDEDRO
COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C#CC(C)(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105626501	842257173	/nfs/dbraw/zinc/25/71/73/842257173.db2.gz	CEADSAXFFJYGDR-CIWUYKSXSA-N	1	0	350.503	1.648	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccn(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105626771	842257863	/nfs/dbraw/zinc/25/78/63/842257863.db2.gz	HJDGHDJWSIZRFZ-JYBIWHBTSA-N	1	0	360.502	1.505	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C)nn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105626917	842258992	/nfs/dbraw/zinc/25/89/92/842258992.db2.gz	JIXUPSSEXIOSHJ-FTEYMNFISA-N	1	0	356.470	1.388	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCOCC3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105631471	842265139	/nfs/dbraw/zinc/26/51/39/842265139.db2.gz	COFXSJUZDCCZKB-UKAVVXHISA-N	1	0	362.514	1.793	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3[nH]c(=O)[nH]c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637984	842275534	/nfs/dbraw/zinc/27/55/34/842275534.db2.gz	YMMKJCNZTGKBSM-UMHPPVOVSA-N	1	0	360.458	1.027	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3nccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105632061	842279193	/nfs/dbraw/zinc/27/91/93/842279193.db2.gz	HZPRTYFSNUIRTC-FPAYPSAMSA-N	1	0	361.490	1.210	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@@H]1C(C)C	ZINC001105633058	842281306	/nfs/dbraw/zinc/28/13/06/842281306.db2.gz	PQOQNCNVRTYEEN-HBXLWWENSA-N	1	0	363.502	1.206	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc4n(n3)CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001105633113	842281502	/nfs/dbraw/zinc/28/15/02/842281502.db2.gz	QTILTKJKOCLKCX-ANTGDGSKSA-N	1	0	370.497	1.432	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cncc(C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105643096	842328864	/nfs/dbraw/zinc/32/88/64/842328864.db2.gz	SFRGNHCFMLVAFQ-KRXUUXHPSA-N	1	0	369.509	1.922	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCn3ccnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105646839	842399958	/nfs/dbraw/zinc/39/99/58/842399958.db2.gz	MHOUVHZMUDHUQK-HNBVOPMISA-N	1	0	360.502	1.815	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3csc(=O)[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105648316	842419843	/nfs/dbraw/zinc/41/98/43/842419843.db2.gz	XWSLZTFENRIQSB-DRRHNWJESA-N	1	0	363.483	1.452	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3cn[nH]c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105655696	842479328	/nfs/dbraw/zinc/47/93/28/842479328.db2.gz	JYGSSFZXJTXPMK-IZBJGVDFSA-N	1	0	358.486	1.332	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cnc[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105654994	842481053	/nfs/dbraw/zinc/48/10/53/842481053.db2.gz	COARBBRUWZZIEW-JYBIWHBTSA-N	1	0	360.502	1.885	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3cn[nH]n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105657152	842491493	/nfs/dbraw/zinc/49/14/93/842491493.db2.gz	XCKWCTZOWGRLPB-ZAWLATJESA-N	1	0	361.490	1.280	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3ccc(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105656323	842492130	/nfs/dbraw/zinc/49/21/30/842492130.db2.gz	OXWUFWULHWXYMA-JYBIWHBTSA-N	1	0	358.486	1.181	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CCCO)C3)[C@H]2C(C)C)C1	ZINC001105656292	842492339	/nfs/dbraw/zinc/49/23/39/842492339.db2.gz	OPQNROMNGRHXPH-VIPLHTEESA-N	1	0	350.503	1.691	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)N(C)C)C2)[C@@H]1C(C)C	ZINC001105658840	842499300	/nfs/dbraw/zinc/49/93/00/842499300.db2.gz	KDBQVAWTFKWGMK-YAJHFMINSA-N	1	0	365.518	1.397	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(C(=O)NC)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105661136	842666523	/nfs/dbraw/zinc/66/65/23/842666523.db2.gz	FCBAGWISGYBFFF-YKTARERQSA-N	1	0	363.502	1.055	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)nc(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105661423	842702113	/nfs/dbraw/zinc/70/21/13/842702113.db2.gz	IONVIXUNNRBEDU-WERVVEIQSA-N	1	0	370.497	1.696	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(OC)o3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105661440	842702993	/nfs/dbraw/zinc/70/29/93/842702993.db2.gz	IQYXMOLMMWEVNK-YZDADXEPSA-N	1	0	360.454	1.891	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+]C1CCN(C(C)=O)CC1	ZINC000461621563	843099719	/nfs/dbraw/zinc/09/97/19/843099719.db2.gz	VQKPBVRTCPGGIW-OAHLLOKOSA-N	1	0	372.469	1.931	20	30		FDEDRO
C[C@H](C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1)n1cnc(C#N)n1	ZINC000462121277	843322792	/nfs/dbraw/zinc/32/27/92/843322792.db2.gz	NHHZUOZABJFFRR-GFCCVEGCSA-N	1	0	355.402	1.217	20	30		FDEDRO
C=CCN1CC[C@@H](N2CC[C@H](NC(=O)c3ncc(C)cc3C)[C@H]2C)C1=O	ZINC001088762170	843368662	/nfs/dbraw/zinc/36/86/62/843368662.db2.gz	VOZOIQISRCWYNW-IXDOHACOSA-N	1	0	356.470	1.678	20	30		FDEDRO
O=C(Nc1cccc(C#Cc2cccs2)c1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21	ZINC000667627003	844812453	/nfs/dbraw/zinc/81/24/53/844812453.db2.gz	JJLZMBOFWMVGGO-FVQHAEBGSA-N	1	0	351.431	1.420	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnc(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105672630	845180572	/nfs/dbraw/zinc/18/05/72/845180572.db2.gz	CAVOZHKRICPUGQ-SOAMZJECSA-N	1	0	356.470	1.388	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCC(N)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105672730	845205899	/nfs/dbraw/zinc/20/58/99/845205899.db2.gz	BBKQPXIDFFIBCX-LTDCPUDJSA-N	1	0	351.491	1.184	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCOCCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105672867	845223738	/nfs/dbraw/zinc/22/37/38/845223738.db2.gz	DEYPGFFGYJZOAW-IZBJGVDFSA-N	1	0	366.502	1.029	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3ccnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105673004	845263638	/nfs/dbraw/zinc/26/36/38/845263638.db2.gz	GDIJHBIFQHXAAC-JYBIWHBTSA-N	1	0	360.502	1.815	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3ccnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105673002	845263971	/nfs/dbraw/zinc/26/39/71/845263971.db2.gz	GDIJHBIFQHXAAC-HNBVOPMISA-N	1	0	360.502	1.815	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]12CCC[C@H]1[N@H+](CC(=O)NC1CC1)CC2	ZINC000990745950	845540689	/nfs/dbraw/zinc/54/06/89/845540689.db2.gz	ZQZMMENECXCNGA-YZLZLFLDSA-N	1	0	361.486	1.359	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CC#Cc3ccccc3)C[C@@H]2O)C1	ZINC001083521642	846092036	/nfs/dbraw/zinc/09/20/36/846092036.db2.gz	BNNRNXHXMFJTQQ-NJYVYQBISA-N	1	0	369.509	1.177	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1=COCCC1)C2	ZINC001112281500	861640879	/nfs/dbraw/zinc/64/08/79/861640879.db2.gz	MAYSJNANXCPZQL-SYNHAJSKSA-N	1	0	361.486	1.590	20	30		FDEDRO
CCC1([NH+]2CCC2)CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1	ZINC000899562137	846410740	/nfs/dbraw/zinc/41/07/40/846410740.db2.gz	ORZVSESYTBYSIF-UHFFFAOYSA-N	1	0	354.454	1.765	20	30		FDEDRO
COc1nn(C)cc1C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001076126057	847353180	/nfs/dbraw/zinc/35/31/80/847353180.db2.gz	KIAUIBMFEMNVME-FUHWJXTLSA-N	1	0	365.437	1.647	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4csc(C)n4)[C@@H]3C2)C1=O	ZINC001076170087	847448874	/nfs/dbraw/zinc/44/88/74/847448874.db2.gz	PRGHULROIHOHMA-NUEKZKHPSA-N	1	0	360.483	1.385	20	30		FDEDRO
Cn1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)[nH]c1=O	ZINC001076207910	847564811	/nfs/dbraw/zinc/56/48/11/847564811.db2.gz	WSMHEKKJFQNLRN-DOTOQJQBSA-N	1	0	351.410	1.344	20	30		FDEDRO
CCCn1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)nn1	ZINC001076408174	848052617	/nfs/dbraw/zinc/05/26/17/848052617.db2.gz	GQZJWUDSYZAFBT-PKOBYXMFSA-N	1	0	364.453	1.906	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCn4cccc4)[C@@H]3C2)C1=O	ZINC001076403281	848066531	/nfs/dbraw/zinc/06/65/31/848066531.db2.gz	RXCYUMLCWJJNBM-RCCFBDPRSA-N	1	0	356.470	1.198	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCn4cccc4)[C@@H]3C2)C1=O	ZINC001076403280	848066882	/nfs/dbraw/zinc/06/68/82/848066882.db2.gz	RXCYUMLCWJJNBM-OKZBNKHCSA-N	1	0	356.470	1.198	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)C4(F)CCCCC4)[C@@H]3C2)C1=O	ZINC001076426225	848110005	/nfs/dbraw/zinc/11/00/05/848110005.db2.gz	SHRNFFPUPQFUFA-YESZJQIVSA-N	1	0	363.477	1.978	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)cc1F	ZINC001076467039	848192853	/nfs/dbraw/zinc/19/28/53/848192853.db2.gz	ABMJWCJHYFCYGG-PKOBYXMFSA-N	1	0	368.456	1.826	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccn(C)c(=O)c4)C[C@H]32)cn1	ZINC001076477230	848242847	/nfs/dbraw/zinc/24/28/47/848242847.db2.gz	VMYCYKZTZRCWDM-PKOBYXMFSA-N	1	0	362.433	1.108	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C1([NH+](C)C)CCC1	ZINC001076739193	848909765	/nfs/dbraw/zinc/90/97/65/848909765.db2.gz	MGBOBOPZYGMKIT-XHSDSOJGSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1	ZINC001076740222	848913145	/nfs/dbraw/zinc/91/31/45/848913145.db2.gz	KLUCJNNEJPMEPP-BBWFWOEESA-N	1	0	365.518	1.711	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000938271984	848926572	/nfs/dbraw/zinc/92/65/72/848926572.db2.gz	FFRBVSIBPVZNMO-UAGQMJEPSA-N	1	0	354.410	1.256	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1	ZINC001076748214	848929166	/nfs/dbraw/zinc/92/91/66/848929166.db2.gz	MPGPLULYHAAMJN-FRQCXROJSA-N	1	0	371.481	1.663	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(C)([NH+](C)C)CC2)c1	ZINC000913399992	861961333	/nfs/dbraw/zinc/96/13/33/861961333.db2.gz	DDUXFQBKIRDVST-UHFFFAOYSA-N	1	0	363.483	1.154	20	30		FDEDRO
C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(C#N)CC2)C1	ZINC000483097850	849270408	/nfs/dbraw/zinc/27/04/08/849270408.db2.gz	JLKKXOOMJLLCOY-CRAIPNDOSA-N	1	0	354.454	1.700	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1	ZINC000483129944	849319307	/nfs/dbraw/zinc/31/93/07/849319307.db2.gz	MUCIHRKEYMJRNL-FUHWJXTLSA-N	1	0	359.470	1.599	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nc(=O)n(C)[nH]2)C1	ZINC001112537729	849414456	/nfs/dbraw/zinc/41/44/56/849414456.db2.gz	WBQBJMDWOYKBJK-LIRRHRJNSA-N	1	0	361.490	1.429	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2c(C)cccc2C)C[C@H]1O	ZINC001077018979	849552794	/nfs/dbraw/zinc/55/27/94/849552794.db2.gz	GWKXNZBZWUPLOW-AFYVEPGGSA-N	1	0	358.482	1.946	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@H]2O)C1	ZINC001077127999	849837105	/nfs/dbraw/zinc/83/71/05/849837105.db2.gz	SXLKWMUVLRNDTL-VAMGGRTRSA-N	1	0	370.497	1.197	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2C)C[C@H]1O	ZINC001077159115	849955298	/nfs/dbraw/zinc/95/52/98/849955298.db2.gz	PFZNNEVMDSLGMX-HSALFYBXSA-N	1	0	355.482	1.062	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H](C[C@@H]2COCCO2)C(F)(F)F)CC1	ZINC000668369759	851048966	/nfs/dbraw/zinc/04/89/66/851048966.db2.gz	DPTYPHVRTWLNFD-KGLIPLIRSA-N	1	0	350.381	1.737	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1	ZINC000668376560	851127676	/nfs/dbraw/zinc/12/76/76/851127676.db2.gz	IFXLUGXYZOFIBM-GOSISDBHSA-N	1	0	374.485	1.065	20	30		FDEDRO
N#Cc1ccc([C@H]2CN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CCO2)cc1	ZINC000904520335	851272405	/nfs/dbraw/zinc/27/24/05/851272405.db2.gz	QMEWMLPCWZYFAU-ZIAGYGMSSA-N	1	0	356.348	1.921	20	30		FDEDRO
C=CCN1CCC([NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1	ZINC000905093813	851677152	/nfs/dbraw/zinc/67/71/52/851677152.db2.gz	CGCNYXKWZVDOQT-INIZCTEOSA-N	1	0	373.563	1.228	20	30		FDEDRO
CCS(=O)(=O)Nc1ccc(NC(=O)NCC#CC[NH+](C)C)cc1OC	ZINC000905151236	851706764	/nfs/dbraw/zinc/70/67/64/851706764.db2.gz	JHJUAINWRDXHIZ-UHFFFAOYSA-N	1	0	368.459	1.143	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H]([NH2+]C[C@H](O)CC3(O)CCCCC3)C2=O)cc1	ZINC000905230912	851738603	/nfs/dbraw/zinc/73/86/03/851738603.db2.gz	OQXZVZVIVDJXDD-RTBURBONSA-N	1	0	371.481	1.695	20	30		FDEDRO
C#Cc1ccc(C[NH2+]C[C@@H](O)CC2(O)CCC(C(=O)OCC)CC2)cc1	ZINC000905273318	851806979	/nfs/dbraw/zinc/80/69/79/851806979.db2.gz	LGPFJUUFNBEPAX-SCCNAQOGSA-N	1	0	359.466	1.993	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1ccc(I)cc1F	ZINC000913522927	862288132	/nfs/dbraw/zinc/28/81/32/862288132.db2.gz	FUBDFFDRWSWIAF-UHFFFAOYSA-N	1	0	360.170	1.725	20	30		FDEDRO
Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NCC#CC[NH+](C)C)c1	ZINC000913523852	862289720	/nfs/dbraw/zinc/28/97/20/862289720.db2.gz	OVYKEVVRNQBOBG-UHFFFAOYSA-N	1	0	355.398	1.443	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1	ZINC000913515497	862295281	/nfs/dbraw/zinc/29/52/81/862295281.db2.gz	YXEJJUZEMXJMLH-INIZCTEOSA-N	1	0	361.873	1.873	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1ccc(Br)c(S(C)(=O)=O)c1	ZINC000913517866	862300417	/nfs/dbraw/zinc/30/04/17/862300417.db2.gz	SQHJXFOMSALYOO-UHFFFAOYSA-N	1	0	373.272	1.147	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1cn(-c2ccccc2Br)nn1	ZINC000913517152	862300830	/nfs/dbraw/zinc/30/08/30/862300830.db2.gz	VEUUGPWEJFDCFJ-UHFFFAOYSA-N	1	0	362.231	1.325	20	30		FDEDRO
C[C@H](Sc1ncccc1C(=O)NCC#CC[NH+](C)C)C(=O)N1CCCC1	ZINC000913518523	862303155	/nfs/dbraw/zinc/30/31/55/862303155.db2.gz	SKAYUWRUFLJTJL-HNNXBMFYSA-N	1	0	374.510	1.479	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)CO[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000913519493	862305434	/nfs/dbraw/zinc/30/54/34/862305434.db2.gz	CIOCDFDKCWWVPT-OAHLLOKOSA-N	1	0	353.463	1.084	20	30		FDEDRO
COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC#CC[NH+](C)C	ZINC000913520794	862305830	/nfs/dbraw/zinc/30/58/30/862305830.db2.gz	YSXOJDKJMULTAY-UHFFFAOYSA-N	1	0	351.428	1.628	20	30		FDEDRO
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC#CC[NH+](C)C	ZINC000913522492	862306979	/nfs/dbraw/zinc/30/69/79/862306979.db2.gz	LTNHMESJFYEFRS-UHFFFAOYSA-N	1	0	354.204	1.961	20	30		FDEDRO
CN(C)S(=O)(=O)Cc1ccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)cc1	ZINC000905520693	852012860	/nfs/dbraw/zinc/01/28/60/852012860.db2.gz	OJAFWRSUYAMWKT-MRXNPFEDSA-N	1	0	353.488	1.468	20	30		FDEDRO
C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1	ZINC000668464410	852026282	/nfs/dbraw/zinc/02/62/82/852026282.db2.gz	BSDOBJNVZUJXNY-WMZOPIPTSA-N	1	0	364.534	1.380	20	30		FDEDRO
C[NH+](C)CC[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1cccnc1	ZINC000905555786	852031723	/nfs/dbraw/zinc/03/17/23/852031723.db2.gz	GEJNYKAJGIWLIO-QUCCMNQESA-N	1	0	354.454	1.976	20	30		FDEDRO
COc1cc(Br)cc(C[NH2+]C[C@H](O)CN(C)CCC#N)c1	ZINC000905556814	852032774	/nfs/dbraw/zinc/03/27/74/852032774.db2.gz	QFQGYIJCIJTZCQ-AWEZNQCLSA-N	1	0	356.264	1.754	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]1C[NH2+]C[C@H](O)COc1ccc(C#N)cc1	ZINC000905595035	852085485	/nfs/dbraw/zinc/08/54/85/852085485.db2.gz	XIHKWBOKCJZVGQ-CVEARBPZSA-N	1	0	361.442	1.897	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCC3(CCOCC3)O2)cc1	ZINC000905596052	852086757	/nfs/dbraw/zinc/08/67/57/852086757.db2.gz	POCUUWIGRZOPLF-IEBWSBKVSA-N	1	0	360.454	1.810	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]CCc2cccc3c2OCCO3)cc1	ZINC000905617197	852114391	/nfs/dbraw/zinc/11/43/91/852114391.db2.gz	OABZZSRNDQWXCI-QGZVFWFLSA-N	1	0	354.406	1.901	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CC(O)(c2cccc(Br)c2)C1	ZINC000913538585	862331053	/nfs/dbraw/zinc/33/10/53/862331053.db2.gz	DVHGWUUVDCISLD-UHFFFAOYSA-N	1	0	353.260	1.987	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1	ZINC001060252881	862419011	/nfs/dbraw/zinc/41/90/11/862419011.db2.gz	PSGKQUIGXAVSRR-BBWFWOEESA-N	1	0	363.502	1.274	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CC(=O)NC1CCN(CC(=O)N(C)C)CC1	ZINC000906634407	853121917	/nfs/dbraw/zinc/12/19/17/853121917.db2.gz	WGRXBLRARLLCLM-UHFFFAOYSA-N	1	0	356.470	1.386	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CC(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1	ZINC000906684132	853161753	/nfs/dbraw/zinc/16/17/53/853161753.db2.gz	XCDSFSXGYIHMHP-UHFFFAOYSA-N	1	0	370.497	1.634	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)NC[C@@H]3CCCCC[NH2+]3)cc21	ZINC000906737997	853242319	/nfs/dbraw/zinc/24/23/19/853242319.db2.gz	GJAZCXHFJGLPDC-INIZCTEOSA-N	1	0	355.442	1.809	20	30		FDEDRO
O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N[C@]12CCC[C@H]1C[NH2+]C2	ZINC000906779327	853308198	/nfs/dbraw/zinc/30/81/98/853308198.db2.gz	QCKNVEMUWOUXDE-JTSKRJEESA-N	1	0	374.444	1.678	20	30		FDEDRO
C#Cc1ccc(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1	ZINC000907052533	853755697	/nfs/dbraw/zinc/75/56/97/853755697.db2.gz	HLOOCJQSINDFKO-RBUKOAKNSA-N	1	0	362.495	1.714	20	30		FDEDRO
C[N@H+]1C[C@@H](c2ccccc2)[C@H](CNS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000907260683	853998047	/nfs/dbraw/zinc/99/80/47/853998047.db2.gz	ZJFWTJUFFYXAJG-SJORKVTESA-N	1	0	356.451	1.577	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)NCCCNS(=O)(=O)c1ccccc1Cl	ZINC000907960674	854849564	/nfs/dbraw/zinc/84/95/64/854849564.db2.gz	VHAFOWRHYUQHSC-UHFFFAOYSA-N	1	0	373.906	1.633	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1	ZINC000668652663	855057436	/nfs/dbraw/zinc/05/74/36/855057436.db2.gz	AKOURWQURWMBLV-FUHWJXTLSA-N	1	0	359.470	1.647	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1	ZINC000668654266	855076408	/nfs/dbraw/zinc/07/64/08/855076408.db2.gz	KJFFGEDJIXVZSZ-HOTGVXAUSA-N	1	0	353.507	1.568	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCC(CO)([NH2+]C(C)C)CC1	ZINC000908588188	855617145	/nfs/dbraw/zinc/61/71/45/855617145.db2.gz	AYEPWULKLRFJSR-UHFFFAOYSA-N	1	0	361.442	1.297	20	30		FDEDRO
C#CCCCc1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CC=C	ZINC000908722651	855702106	/nfs/dbraw/zinc/70/21/06/855702106.db2.gz	JZFCGZUFIVMKPE-UHFFFAOYSA-N	1	0	357.502	1.969	20	30		FDEDRO
C=CCn1c(-c2ccc(=O)n(C)c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C	ZINC000908739680	855736286	/nfs/dbraw/zinc/73/62/86/855736286.db2.gz	AJXVNGAMZGVUJT-LSDHHAIUSA-N	1	0	356.474	1.749	20	30		FDEDRO
C=C(C)Cn1c(-c2cccnn2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000909308594	856422272	/nfs/dbraw/zinc/42/22/72/856422272.db2.gz	GBLGRJABEBKNTE-MRXNPFEDSA-N	1	0	369.473	1.470	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1	ZINC000487581703	856484602	/nfs/dbraw/zinc/48/46/02/856484602.db2.gz	JXPZRDJGLFJJGA-QZTJIDSGSA-N	1	0	360.433	1.874	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C	ZINC000668820443	857083593	/nfs/dbraw/zinc/08/35/93/857083593.db2.gz	VFVMVLGUOBLBOJ-SZMVWBNQSA-N	1	0	353.507	1.711	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1	ZINC000488225906	857391413	/nfs/dbraw/zinc/39/14/13/857391413.db2.gz	ZIXUWATXIYNJBZ-DLBZAZTESA-N	1	0	364.534	1.474	20	30		FDEDRO
C[C@@H]1C[C@H](C)CN(C(=O)C(=O)N(c2ccc(C#N)cn2)[C@@H]2CCC[NH2+]C2)C1	ZINC000910858410	857787685	/nfs/dbraw/zinc/78/76/85/857787685.db2.gz	NPVCTKLIQOJQAV-HLLBOEOZSA-N	1	0	369.469	1.543	20	30		FDEDRO
C#CCN(C(=O)C(=O)N(C)Cc1cccc(Cl)c1)C1CC[NH+](C)CC1	ZINC000910885806	857837249	/nfs/dbraw/zinc/83/72/49/857837249.db2.gz	NWMXLYMDWDXROV-UHFFFAOYSA-N	1	0	361.873	1.854	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CCC(OCC(C)C)CC1)C1CC[NH+](C)CC1	ZINC000910885840	857838818	/nfs/dbraw/zinc/83/88/18/857838818.db2.gz	OLRAHQCLMMGHEN-UHFFFAOYSA-N	1	0	363.502	1.206	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccncc1	ZINC000911000068	858015319	/nfs/dbraw/zinc/01/53/19/858015319.db2.gz	BQWHDQAERFIFKK-SJORKVTESA-N	1	0	372.469	1.090	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1)c1ccncc1	ZINC000911001706	858019071	/nfs/dbraw/zinc/01/90/71/858019071.db2.gz	NBZZRALPGXFCOG-IHRRRGAJSA-N	1	0	370.375	1.553	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]CC2)CC1	ZINC000911013777	858038314	/nfs/dbraw/zinc/03/83/14/858038314.db2.gz	DNZYJHYCQWFMMM-MRXNPFEDSA-N	1	0	351.491	1.324	20	30		FDEDRO
C[NH2+]Cc1ccccc1CNC(=O)C(=O)NCc1ccc(C)c(C#N)c1	ZINC000911321354	858494003	/nfs/dbraw/zinc/49/40/03/858494003.db2.gz	CQUOEHNQFXRXID-UHFFFAOYSA-N	1	0	350.422	1.519	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1	ZINC000911341157	858533650	/nfs/dbraw/zinc/53/36/50/858533650.db2.gz	LWYGOQHWPOSBDS-CALCHBBNSA-N	1	0	362.518	1.132	20	30		FDEDRO
C=CCCC[C@H](NC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)c1ccccc1	ZINC000911367168	858557689	/nfs/dbraw/zinc/55/76/89/858557689.db2.gz	XQTQGHOPNDROSV-FXAWDEMLSA-N	1	0	359.470	1.512	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)c1	ZINC000911404204	858593588	/nfs/dbraw/zinc/59/35/88/858593588.db2.gz	XYEORJLAYUTXAQ-MRXNPFEDSA-N	1	0	372.444	1.552	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)c1	ZINC000911404454	858593591	/nfs/dbraw/zinc/59/35/91/858593591.db2.gz	ZFUDTDFSOHNIIW-MAUKXSAKSA-N	1	0	372.444	1.694	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2	ZINC000911442156	858625181	/nfs/dbraw/zinc/62/51/81/858625181.db2.gz	KTYIYRIGACYCCL-WIYYLYMNSA-N	1	0	355.482	1.892	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c(OC)c1	ZINC000488864666	858850162	/nfs/dbraw/zinc/85/01/62/858850162.db2.gz	ZHDCLUZHTPHXCE-GOSISDBHSA-N	1	0	374.481	1.983	20	30		FDEDRO
C[NH+](C)CCn1nccc1C(=O)N1CCC[C@](C#N)(c2ccccn2)C1	ZINC000912296631	859570444	/nfs/dbraw/zinc/57/04/44/859570444.db2.gz	UKHUTUOADQRFLF-LJQANCHMSA-N	1	0	352.442	1.537	20	30		FDEDRO
C#CC[NH2+]CC(=O)N[C@@H](CC(=O)OC)c1ccc(Br)cc1	ZINC000912453281	859786884	/nfs/dbraw/zinc/78/68/84/859786884.db2.gz	BXLRPIURDKSTKQ-ZDUSSCGKSA-N	1	0	353.216	1.392	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1	ZINC000668990844	859988476	/nfs/dbraw/zinc/98/84/76/859988476.db2.gz	KWIMXDUJQQILJF-QGZVFWFLSA-N	1	0	351.491	1.609	20	30		FDEDRO
C=CCn1c(-c2cc[nH]n2)nnc1N1CCC(CC[NH+]2CCOCC2)CC1	ZINC000669029054	860269996	/nfs/dbraw/zinc/26/99/96/860269996.db2.gz	RJQCFRPSNNAIML-UHFFFAOYSA-N	1	0	371.489	1.793	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)CC1CCOCC1	ZINC000669034874	860848625	/nfs/dbraw/zinc/84/86/25/860848625.db2.gz	ZPSICGHDBHMCBA-SJORKVTESA-N	1	0	361.490	1.863	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC(COC)CC1	ZINC000669034748	860850277	/nfs/dbraw/zinc/85/02/77/860850277.db2.gz	XDLDZGZMYSJOPF-SJORKVTESA-N	1	0	361.490	1.863	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC2(CCO2)CC1	ZINC000669034562	860851551	/nfs/dbraw/zinc/85/15/51/860851551.db2.gz	RGTLTZWYVOSCJI-CVEARBPZSA-N	1	0	359.474	1.759	20	30		FDEDRO
C=CCn1c(-c2cn(C)nn2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1	ZINC000669038445	860916665	/nfs/dbraw/zinc/91/66/65/860916665.db2.gz	MEIFKNGKZMXNKY-YOEHRIQHSA-N	1	0	368.489	1.713	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)NCC[N@@H+]2CCc3ccccc3C2)nc1	ZINC000916443255	881617644	/nfs/dbraw/zinc/61/76/44/881617644.db2.gz	IOBJTKRWGBUGLN-UHFFFAOYSA-N	1	0	364.453	1.723	20	30		FDEDRO
CC(=O)N[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cc(C#N)ccc2F)[C@H](C)C1	ZINC001105793459	863216810	/nfs/dbraw/zinc/21/68/10/863216810.db2.gz	HBHAJQRRYMMYBZ-PBFPGSCMSA-N	1	0	360.433	1.406	20	30		FDEDRO
CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)c(C#N)c2)[C@H](C)C1	ZINC001105793517	863218375	/nfs/dbraw/zinc/21/83/75/863218375.db2.gz	IZXKBJWPLQIBLS-IIYDPXPESA-N	1	0	360.433	1.406	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCCO3)C[C@H]2C)c1	ZINC001105797511	863234436	/nfs/dbraw/zinc/23/44/36/863234436.db2.gz	FXMNYHJUIBHCKE-SUMDDJOVSA-N	1	0	369.465	1.470	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cn2cccc(C)c2=O)C[C@H]1C(F)(F)F	ZINC001112101542	863296339	/nfs/dbraw/zinc/29/63/39/863296339.db2.gz	RIWNKFDUGFTGBC-ZIAGYGMSSA-N	1	0	355.360	1.159	20	30		FDEDRO
CCn1nc(C)c(CN2C[C@@H]3CCC[C@]3(NC(=O)CSCC#N)C2)n1	ZINC001111599846	863312913	/nfs/dbraw/zinc/31/29/13/863312913.db2.gz	FZRHVKAURVEFGZ-YOEHRIQHSA-N	1	0	362.503	1.334	20	30		FDEDRO
COc1cccc([C@H](O)CN(CC(=O)NCC#N)Cc2ccccc2)c1	ZINC000157515868	863418579	/nfs/dbraw/zinc/41/85/79/863418579.db2.gz	FLZYQNKUFRIOKW-LJQANCHMSA-N	1	0	353.422	1.871	20	30		FDEDRO
CCOCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CCC#N)[C@H](C)C1	ZINC001105861139	863529785	/nfs/dbraw/zinc/52/97/85/863529785.db2.gz	YOQSWDHDBIKVEO-IAGOWNOFSA-N	1	0	366.506	1.249	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)COCC2CC2)C[C@H]1C	ZINC001105870130	863562930	/nfs/dbraw/zinc/56/29/30/863562930.db2.gz	SOKDQBKTQBOXOK-SJLPKXTDSA-N	1	0	363.502	1.298	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCN2CCCC2=O)C1	ZINC001112109007	863651852	/nfs/dbraw/zinc/65/18/52/863651852.db2.gz	UMGZNGWCLIGVJE-ZIAGYGMSSA-N	1	0	361.408	1.944	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)CNC(=O)CCC)C[C@H]1C	ZINC001105891088	863709085	/nfs/dbraw/zinc/70/90/85/863709085.db2.gz	ROFKHXJRBAPMBB-DGCLKSJQSA-N	1	0	360.296	1.495	20	30		FDEDRO
CCN1CC[NH+](CCCCNC(=O)NCCNc2ccc(C#N)cn2)CC1	ZINC000916503648	881704071	/nfs/dbraw/zinc/70/40/71/881704071.db2.gz	DAVZDIUYWNGVGM-UHFFFAOYSA-N	1	0	373.505	1.082	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CCN2CCCC2=O)[C@H](C)C1	ZINC001105910151	863919316	/nfs/dbraw/zinc/91/93/16/863919316.db2.gz	PTVVSTRBDPFWRU-BRWVUGGUSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)[C@H](C)C1	ZINC001105923349	864034535	/nfs/dbraw/zinc/03/45/35/864034535.db2.gz	WOKKCPVYCXNZBC-MCIONIFRSA-N	1	0	361.408	1.800	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C2=COCCC2)C[C@H]1C	ZINC001105924507	864041022	/nfs/dbraw/zinc/04/10/22/864041022.db2.gz	UGWPMWNWWFQVJM-SJLPKXTDSA-N	1	0	363.502	1.789	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)Nc2cc(C)no2)[C@H](C)C1	ZINC001105938314	864132390	/nfs/dbraw/zinc/13/23/90/864132390.db2.gz	PKPJYUDBMNDFEJ-BPLDGKMQSA-N	1	0	364.446	1.197	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CCOC[C@@H]2CCCCO2)[C@H](C)C1	ZINC001105941520	864150490	/nfs/dbraw/zinc/15/04/90/864150490.db2.gz	ABWKFWZDCLMAOG-KURKYZTESA-N	1	0	354.491	1.459	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)CSC)C[C@H]1C	ZINC001105945240	864181243	/nfs/dbraw/zinc/18/12/43/864181243.db2.gz	QLQLAABHUVSRHO-BRWVUGGUSA-N	1	0	367.559	1.870	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)Nc2ccccc2)[C@H](C)C1	ZINC001105946397	864190474	/nfs/dbraw/zinc/19/04/74/864190474.db2.gz	SIRBSUKMBWCQLS-RRFJBIMHSA-N	1	0	371.441	1.178	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccon2)C[C@H]1C	ZINC001105965088	864256147	/nfs/dbraw/zinc/25/61/47/864256147.db2.gz	LJHZXUXSRXLMPK-HZPDHXFCSA-N	1	0	360.458	1.102	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)/C=C\C2CC2)C[C@H]1C	ZINC001105977600	864309737	/nfs/dbraw/zinc/30/97/37/864309737.db2.gz	XTPNNSKGUGKRNR-RJYNPGADSA-N	1	0	362.474	1.037	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]CCCO[C@@H]2CCOC2)[C@H](C)C1	ZINC001105981839	864326890	/nfs/dbraw/zinc/32/68/90/864326890.db2.gz	GQQTUHBJGDANTN-GUDVDZBRSA-N	1	0	368.518	1.849	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cccc(=O)n2C)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088847700	864561312	/nfs/dbraw/zinc/56/13/12/864561312.db2.gz	IHMKVXWKVCRLEY-PBHICJAKSA-N	1	0	350.422	1.650	20	30		FDEDRO
Cc1ccc(F)cc1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1O	ZINC001077471416	864561817	/nfs/dbraw/zinc/56/18/17/864561817.db2.gz	KIDSKXPZYLTZHX-RTBURBONSA-N	1	0	353.397	1.981	20	30		FDEDRO
C=CCN1C(=O)N([C@H]2CC[N@@H+](CCOC)C2)C(=O)[C@H]1Cc1ccccc1	ZINC000761256209	864647540	/nfs/dbraw/zinc/64/75/40/864647540.db2.gz	MKMATKVOHWMINB-ZWKOTPCHSA-N	1	0	357.454	1.769	20	30		FDEDRO
Cc1noc(CCC[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)n1	ZINC001106015400	864654845	/nfs/dbraw/zinc/65/48/45/864654845.db2.gz	CHNDENJVVFRSHF-TZMCWYRMSA-N	1	0	356.430	1.508	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2csnc2C)C[C@H]1C	ZINC001106022827	864739393	/nfs/dbraw/zinc/73/93/93/864739393.db2.gz	VBWKDBBCIMRLGP-KWCYVHTRSA-N	1	0	350.488	1.440	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@@H]2CCCO2)[C@H](C)C1	ZINC001106026080	864810771	/nfs/dbraw/zinc/81/07/71/864810771.db2.gz	UTIVSENTYVMHSN-KURKYZTESA-N	1	0	363.502	1.159	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+]Cc2nnc3n2CCOC3)[C@H](C)C1	ZINC001106025943	864814555	/nfs/dbraw/zinc/81/45/55/864814555.db2.gz	OETJYRAOEOYAOZ-HZPDHXFCSA-N	1	0	359.474	1.186	20	30		FDEDRO
CC(C)COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC001106029170	864875287	/nfs/dbraw/zinc/87/52/87/864875287.db2.gz	JMHIQPSHKMDEFT-QGPMSJSTSA-N	1	0	362.474	1.218	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)c(F)c2)[C@H](C)C1	ZINC001106029552	864885056	/nfs/dbraw/zinc/88/50/56/864885056.db2.gz	XWKPGRKWONSFOL-UKRRQHHQSA-N	1	0	363.408	1.288	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NCCCOC)[C@H](C)C1	ZINC001106031158	864903400	/nfs/dbraw/zinc/90/34/00/864903400.db2.gz	SSDNYUAMXUKSIO-KZNAEPCWSA-N	1	0	365.518	1.405	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCCC2)[C@H](C)C1	ZINC001106058754	865065200	/nfs/dbraw/zinc/06/52/00/865065200.db2.gz	HPRGEWJCXKHELC-SPYBWZPUSA-N	1	0	351.491	1.056	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CC(C)C)[C@H](C)C1	ZINC001106059433	865069853	/nfs/dbraw/zinc/06/98/53/865069853.db2.gz	UXHKXLRKELSKPF-MDZRGWNJSA-N	1	0	363.506	1.445	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2noc3c2COCC3)[C@H](C)C1	ZINC001106065139	865105626	/nfs/dbraw/zinc/10/56/26/865105626.db2.gz	QUYURAJEVFPCON-PJIJBLCYSA-N	1	0	363.458	1.259	20	30		FDEDRO
CCCN1C[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)CC1=O	ZINC001088890499	865267698	/nfs/dbraw/zinc/26/76/98/865267698.db2.gz	WODUPAGECJYBBS-LZQZEXGQSA-N	1	0	368.481	1.896	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2Cc3c(cccc3C)O2)C[C@H]1C	ZINC001106883950	881897459	/nfs/dbraw/zinc/89/74/59/881897459.db2.gz	QMWJYSOMFWDKOY-MBOZVWFJSA-N	1	0	356.466	1.632	20	30		FDEDRO
CCC(=O)N1CC[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)C1	ZINC001088963447	865740548	/nfs/dbraw/zinc/74/05/48/865740548.db2.gz	HSBYKNPRQHPYQL-LZQZEXGQSA-N	1	0	368.481	1.896	20	30		FDEDRO
CC[N@H+](C)C[C@H]1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000173500331	865977420	/nfs/dbraw/zinc/97/74/20/865977420.db2.gz	RRKNEQRGWUYOEV-GOSISDBHSA-N	1	0	369.469	1.554	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CC2CCC(F)(F)CC2)C[C@H]1OC	ZINC001212193881	866045888	/nfs/dbraw/zinc/04/58/88/866045888.db2.gz	KYXYRFVTEVRCBQ-BFYDXBDKSA-N	1	0	360.445	1.954	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCOc2ccc(C)cc2)C[C@H]1OC	ZINC001212194411	866085173	/nfs/dbraw/zinc/08/51/73/866085173.db2.gz	RPVYSQGAIJKVTK-QWFCFKBJSA-N	1	0	362.470	1.516	20	30		FDEDRO
Cc1csc(=O)n1CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C	ZINC001089032689	866181715	/nfs/dbraw/zinc/18/17/15/866181715.db2.gz	BFPBBVAYGOUDLE-PBHICJAKSA-N	1	0	370.478	1.869	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3nnc(C4CC4)o3)[C@@H]2C)CC1	ZINC001089059830	866388325	/nfs/dbraw/zinc/38/83/25/866388325.db2.gz	DJIQVRJUFSXGOE-PBHICJAKSA-N	1	0	371.485	1.371	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1	ZINC000442525906	866659180	/nfs/dbraw/zinc/65/91/80/866659180.db2.gz	RCTNECSBZSFNGH-MRXNPFEDSA-N	1	0	370.453	1.886	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCc2ccc(C#N)c(F)c2)CC1=O	ZINC000456848104	867101658	/nfs/dbraw/zinc/10/16/58/867101658.db2.gz	WEINPNQYWMXZPG-IRXDYDNUSA-N	1	0	372.444	1.646	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H](OC)C3CCCC3)C[C@H]2O)cc1	ZINC001077493882	867962843	/nfs/dbraw/zinc/96/28/43/867962843.db2.gz	ORWZYCSXZDJLTA-VAMGGRTRSA-N	1	0	356.466	1.648	20	30		FDEDRO
C[C@@H]1CCCC[C@@H]1OCCNC(=O)CON=C(N)C[N@@H+]1CCCC[C@@H]1C	ZINC000151535063	868007199	/nfs/dbraw/zinc/00/71/99/868007199.db2.gz	GLTJDUOQNLHKBN-IKGGRYGDSA-N	1	0	368.522	1.861	20	30		FDEDRO
CC(C)CN(C(=O)C[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C)C(C)C	ZINC001106101159	868091148	/nfs/dbraw/zinc/09/11/48/868091148.db2.gz	KPQCUNFXCYFIOB-IEBWSBKVSA-N	1	0	361.530	1.977	20	30		FDEDRO
C=CCCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001061622152	882159208	/nfs/dbraw/zinc/15/92/08/882159208.db2.gz	MPFKDNZUFCFXSL-YESZJQIVSA-N	1	0	351.491	1.417	20	30		FDEDRO
CC(C)S(=O)(=O)CCC[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C	ZINC001106106109	868167336	/nfs/dbraw/zinc/16/73/36/868167336.db2.gz	IRAQDELKUKAYAQ-NVXWUHKLSA-N	1	0	354.516	1.297	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C[NH2+]CC(=O)NCC(F)(F)F	ZINC001106106155	868167359	/nfs/dbraw/zinc/16/73/59/868167359.db2.gz	LRAPENQUIRNVMZ-CHWSQXEVSA-N	1	0	361.408	1.399	20	30		FDEDRO
Cc1ccccc1CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C	ZINC001106106276	868183533	/nfs/dbraw/zinc/18/35/33/868183533.db2.gz	QCXWSFOOEPBWSL-YLJYHZDGSA-N	1	0	367.493	1.709	20	30		FDEDRO
CC(C)C[C@@H](C)N(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C	ZINC001106106446	868187277	/nfs/dbraw/zinc/18/72/77/868187277.db2.gz	XRLSHHIAFNXBIO-ZHALLVOQSA-N	1	0	361.530	1.977	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(NC(=O)[C@H]4C[C@H]4C(N)=O)CCC[C@@H]23)s1	ZINC000992183077	868198166	/nfs/dbraw/zinc/19/81/66/868198166.db2.gz	SKIRXVUHFBSWEX-FSZRXZPDSA-N	1	0	358.467	1.354	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(Nc2c(C#N)cnc3ccccc32)CC1	ZINC000462842446	868220719	/nfs/dbraw/zinc/22/07/19/868220719.db2.gz	CYAOOKPJDAFHLP-UHFFFAOYSA-N	1	0	351.454	1.883	20	30		FDEDRO
CC(C)COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C	ZINC001106107910	868261572	/nfs/dbraw/zinc/26/15/72/868261572.db2.gz	MQZSIQKANIZTMD-KZNAEPCWSA-N	1	0	352.519	1.754	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cccc(NC(C)=O)c2)[C@H](C)C1	ZINC001106111102	868380829	/nfs/dbraw/zinc/38/08/29/868380829.db2.gz	HKZQLPYVIJYOIP-GPMSIDNRSA-N	1	0	371.481	1.867	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nc(C(C)(C)C)no2)[C@H](C)C1	ZINC001106112013	868400049	/nfs/dbraw/zinc/40/00/49/868400049.db2.gz	VMLBZPBSYBDOBH-RBSFLKMASA-N	1	0	362.474	1.590	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(CCC)CCC)[C@H](C)C1	ZINC001106114530	868496834	/nfs/dbraw/zinc/49/68/34/868496834.db2.gz	AXRQLPCYUDPDNP-QZTJIDSGSA-N	1	0	365.518	1.359	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2cn(C)nc2C(F)F)[C@H](C)C1	ZINC001106115042	868514447	/nfs/dbraw/zinc/51/44/47/868514447.db2.gz	NDLVPBGXDLYWOQ-ZIAGYGMSSA-N	1	0	368.428	1.582	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1[N@H+](CCc1ccnn1C)CC2	ZINC000992238552	868542918	/nfs/dbraw/zinc/54/29/18/868542918.db2.gz	FLCWEBXPDYIWFF-DOADOZAASA-N	1	0	358.486	1.667	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C(=O)NC)c2)[C@H](C)C1	ZINC001106117104	868585936	/nfs/dbraw/zinc/58/59/36/868585936.db2.gz	ZSAHEEYWSGBPKN-GPMSIDNRSA-N	1	0	371.481	1.269	20	30		FDEDRO
C#Cc1ccc(C(=O)NCC2CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC000992265824	868687100	/nfs/dbraw/zinc/68/71/00/868687100.db2.gz	CKUOFBKIUVGFOQ-YHDCKOJYSA-N	1	0	354.454	1.028	20	30		FDEDRO
C=C(C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1cncn1C	ZINC001061630880	882241046	/nfs/dbraw/zinc/24/10/46/882241046.db2.gz	GNCFHXBKOTZMSJ-ARFHVFGLSA-N	1	0	360.458	1.224	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)N2CCCCC2=O)C[C@H]1C	ZINC001106124541	868918493	/nfs/dbraw/zinc/91/84/93/868918493.db2.gz	SYNUHAAOGHZZBC-KZNAEPCWSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CSCCC)C1	ZINC001111626315	869108058	/nfs/dbraw/zinc/10/80/58/869108058.db2.gz	ZDGOHHIXLUPBDU-MPGHIAIKSA-N	1	0	353.532	1.791	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000946803980	882280079	/nfs/dbraw/zinc/28/00/79/882280079.db2.gz	CVIYECZRQJPAOB-HKUYNNGSSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC(NC(=O)C[N@H+]2CCC(C)(C)C2)C1	ZINC000992418884	869299141	/nfs/dbraw/zinc/29/91/41/869299141.db2.gz	ZHTADSRHBNDOJD-BACDZXNISA-N	1	0	363.502	1.320	20	30		FDEDRO
C[NH+](C)CC1(O)CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1	ZINC000913676745	869353445	/nfs/dbraw/zinc/35/34/45/869353445.db2.gz	JNMXKUCVMGLDKH-UHFFFAOYSA-N	1	0	353.426	1.273	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+]CCCN3CCC[C@@H]3C(N)=O)CC2)cc1	ZINC000271871446	869359393	/nfs/dbraw/zinc/35/93/93/869359393.db2.gz	MTWYKRDULUXZMD-HXUWFJFHSA-N	1	0	369.513	1.452	20	30		FDEDRO
CC(C)[NH+]1CCN(CCCC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1	ZINC000913771977	869606899	/nfs/dbraw/zinc/60/68/99/869606899.db2.gz	VAGJNKNPFUNUMM-FQEVSTJZSA-N	1	0	354.498	1.948	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1	ZINC000994367180	882326502	/nfs/dbraw/zinc/32/65/02/882326502.db2.gz	RDTDXGSRPJAOSH-RRFJBIMHSA-N	1	0	366.425	1.251	20	30		FDEDRO
COc1cccc([C@H](CNC(=O)N2C[C@@H](C)N(CC#N)[C@H](C)C2)[NH+](C)C)c1	ZINC000913890099	869916503	/nfs/dbraw/zinc/91/65/03/869916503.db2.gz	MOQNGWPZXSCCCL-MDZRGWNJSA-N	1	0	373.501	1.926	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)COc2cc(C)ccc2F)C[C@H]1C	ZINC001106132938	869958483	/nfs/dbraw/zinc/95/84/83/869958483.db2.gz	FYYYVZUALQPYGQ-IAGOWNOFSA-N	1	0	362.445	1.847	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000913977006	870189004	/nfs/dbraw/zinc/18/90/04/870189004.db2.gz	DGDUJOFUECARNV-IYBDPMFKSA-N	1	0	350.507	1.271	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2cccc(NC(=O)COC)c2)CC1	ZINC000914014304	870348456	/nfs/dbraw/zinc/34/84/56/870348456.db2.gz	UNCYEKWNAXKUPM-UHFFFAOYSA-N	1	0	358.442	1.168	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)C[C@@H](C)N1CC#N	ZINC000914026184	870382169	/nfs/dbraw/zinc/38/21/69/870382169.db2.gz	RTANRUQHNDIBKZ-IAGOWNOFSA-N	1	0	373.501	1.755	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1	ZINC000914023240	870395342	/nfs/dbraw/zinc/39/53/42/870395342.db2.gz	SDDHYICMZZKOTD-TXPKVOOTSA-N	1	0	359.470	1.479	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCc1cccc(C#N)c1)C2	ZINC000914051321	870480457	/nfs/dbraw/zinc/48/04/57/870480457.db2.gz	KFLSGHBHCOUCOS-MLYOOKFZSA-N	1	0	356.470	1.837	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1)C(C)C	ZINC000914127223	870948119	/nfs/dbraw/zinc/94/81/19/870948119.db2.gz	AJUAVKMLNOOIEK-OWSLCNJRSA-N	1	0	351.491	1.788	20	30		FDEDRO
CCC(=O)N1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1	ZINC001106163484	871497040	/nfs/dbraw/zinc/49/70/40/871497040.db2.gz	VSINWSVQOWKUQS-KURKYZTESA-N	1	0	363.502	1.111	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Oc2cccc(F)c2)C[C@H]1C	ZINC001106161666	871505951	/nfs/dbraw/zinc/50/59/51/871505951.db2.gz	ZZOBLTRBUIEUFL-BRWVUGGUSA-N	1	0	362.445	1.927	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)NC(=O)c2ccoc2)C[C@H]1C	ZINC001106169627	871560406	/nfs/dbraw/zinc/56/04/06/871560406.db2.gz	GAXIAHYKAQDMAB-BFYDXBDKSA-N	1	0	363.458	1.285	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCOCC2)[C@H](C)C1	ZINC001106175728	871580730	/nfs/dbraw/zinc/58/07/30/871580730.db2.gz	RILRQLJGORUOCZ-SJLPKXTDSA-N	1	0	363.502	1.298	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H](C[NH2+]C[C@@H](O)Cn2cccn2)[C@H](C)C1	ZINC001106173892	871604072	/nfs/dbraw/zinc/60/40/72/871604072.db2.gz	KQWQHADZNRMGKW-BHIYHBOVSA-N	1	0	360.502	1.697	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)NCC1(O)CC[NH+](C)CC1	ZINC000914172747	871669654	/nfs/dbraw/zinc/66/96/54/871669654.db2.gz	SKZGLTCFSBYLOL-UHFFFAOYSA-N	1	0	351.472	1.051	20	30		FDEDRO
C#CCN(C(=O)NCc1cccc(OCC(=O)NC)c1)C1CC[NH+](C)CC1	ZINC000914274038	872150566	/nfs/dbraw/zinc/15/05/66/872150566.db2.gz	YLXZLHVDZOHCNJ-UHFFFAOYSA-N	1	0	372.469	1.050	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCN(C[C@H](C)O)C[C@@H]1C	ZINC000914395926	872670006	/nfs/dbraw/zinc/67/00/06/872670006.db2.gz	SJMMWULVBAJYKD-HOTGVXAUSA-N	1	0	365.499	1.392	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCN(C[C@@H](C)O)C[C@@H]1C	ZINC000914395928	872670049	/nfs/dbraw/zinc/67/00/49/872670049.db2.gz	SJMMWULVBAJYKD-JKSUJKDBSA-N	1	0	365.499	1.392	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1nnn(C)c1C(F)(F)F)C2	ZINC001112541597	872760527	/nfs/dbraw/zinc/76/05/27/872760527.db2.gz	FJQLYEHJNVIWRV-NHYWBVRUSA-N	1	0	355.364	1.299	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2sc(C)cc2C)C[C@H]1C	ZINC001106182167	873026351	/nfs/dbraw/zinc/02/63/51/873026351.db2.gz	IYFGRXUWFOKYTM-FVQBIDKESA-N	1	0	361.511	1.801	20	30		FDEDRO
N#Cc1sc(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)nc1Cl	ZINC000888425950	873076374	/nfs/dbraw/zinc/07/63/74/873076374.db2.gz	FVNLARCIWNDOKO-SNVBAGLBSA-N	1	0	355.851	1.731	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C(C)(C)C=C)CC1	ZINC001003362829	873215655	/nfs/dbraw/zinc/21/56/55/873215655.db2.gz	GAMVYRXLKLKAAH-KURKYZTESA-N	1	0	357.498	1.792	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C)SC)CC1	ZINC001003363604	873216878	/nfs/dbraw/zinc/21/68/78/873216878.db2.gz	RHRCYKGNFNPJTO-SVGFKBNWSA-N	1	0	363.527	1.331	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCC2CC2)CC1	ZINC001003364114	873219785	/nfs/dbraw/zinc/21/97/85/873219785.db2.gz	YPAHGAFSMSPIGZ-QRVBRYPASA-N	1	0	357.498	1.770	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[C@H]2CC)CC1	ZINC001003366217	873245784	/nfs/dbraw/zinc/24/57/84/873245784.db2.gz	VAAUSQAJLCQDTG-SJQORLFUSA-N	1	0	357.498	1.626	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccn(C3CCCC3)n2)C[C@H]1C	ZINC001106191922	873268559	/nfs/dbraw/zinc/26/85/59/873268559.db2.gz	RNNXHLMHGOHFTD-HZPDHXFCSA-N	1	0	371.485	1.045	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@]2(C)C1	ZINC000992939797	873307647	/nfs/dbraw/zinc/30/76/47/873307647.db2.gz	PJYYKSHEDZJFQG-YRNRMSPPSA-N	1	0	360.502	1.717	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@]3(C)C2)cc1	ZINC000992950838	873367089	/nfs/dbraw/zinc/36/70/89/873367089.db2.gz	FAVKVKRAGLOXQE-SIKLNZKXSA-N	1	0	365.477	1.684	20	30		FDEDRO
CC(C)C(=O)N(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1	ZINC001106198623	873605811	/nfs/dbraw/zinc/60/58/11/873605811.db2.gz	HQCAVKPFVLLSED-VQIMIIECSA-N	1	0	370.497	1.857	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](CC)[NH+](C)C	ZINC001003502058	873611940	/nfs/dbraw/zinc/61/19/40/873611940.db2.gz	DECWZFNGJPDGAP-VQHPVUNQSA-N	1	0	358.486	1.876	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C(C)C)C2)C[C@H]1C	ZINC001106198887	873632028	/nfs/dbraw/zinc/63/20/28/873632028.db2.gz	RMRVPHJYLJHIPX-IXDOHACOSA-N	1	0	351.491	1.130	20	30		FDEDRO
CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@H](O)CC2(C#N)CCC2)c1	ZINC001168466129	873657522	/nfs/dbraw/zinc/65/75/22/873657522.db2.gz	LBCHYSAQXBAKNW-UKRRQHHQSA-N	1	0	351.472	1.690	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC(C)C)C2)C[C@H]1C	ZINC001106202731	873672794	/nfs/dbraw/zinc/67/27/94/873672794.db2.gz	BFKXOTBCLVXJGL-FGTMMUONSA-N	1	0	365.518	1.378	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@]2(C)C1	ZINC000993018071	873696135	/nfs/dbraw/zinc/69/61/35/873696135.db2.gz	FHTWPLWFJKVFOQ-CEQIKUNHSA-N	1	0	368.481	1.828	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](N(C)c3ccnc(C#N)n3)C2)CC[N@@H+]1C	ZINC001061281120	873728784	/nfs/dbraw/zinc/72/87/84/873728784.db2.gz	OLKCLPLZIAJPGO-HRCADAONSA-N	1	0	356.474	1.506	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1)C1CC[NH+](C)CC1	ZINC000922213940	873871505	/nfs/dbraw/zinc/87/15/05/873871505.db2.gz	SKKSVFCADGQFFZ-QGZVFWFLSA-N	1	0	372.517	1.436	20	30		FDEDRO
C[C@H]1CN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C[C@H](C)N1CC#N	ZINC000916992618	882768848	/nfs/dbraw/zinc/76/88/48/882768848.db2.gz	RTRAEPABJFJEHY-IRXDYDNUSA-N	1	0	363.506	1.259	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC001003637287	873913474	/nfs/dbraw/zinc/91/34/74/873913474.db2.gz	ALACHDVNKJUXMM-ZWKOTPCHSA-N	1	0	354.454	1.363	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2scnc2CC)C[C@H]1C	ZINC001106221055	873946393	/nfs/dbraw/zinc/94/63/93/873946393.db2.gz	ZRAIWCZZPOVUAD-MGPQQGTHSA-N	1	0	364.515	1.694	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3nnc(C)[nH]3)[C@H](C)C2)CCOCC1	ZINC001106235218	874047160	/nfs/dbraw/zinc/04/71/60/874047160.db2.gz	MSAJAFBYHQMKKM-GDBMZVCRSA-N	1	0	359.474	1.117	20	30		FDEDRO
C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)C#Cc1ccc2c(c1)OCO2	ZINC000761710451	874054471	/nfs/dbraw/zinc/05/44/71/874054471.db2.gz	NVPLAFGKETXXBO-UHFFFAOYSA-N	1	0	374.437	1.499	20	30		FDEDRO
C[C@@]12CN(C(=O)C#CC3CC3)C[C@@H]1CN(C(=O)C13CCC[NH+](CCC1)C3)C2	ZINC000993066356	874078742	/nfs/dbraw/zinc/07/87/42/874078742.db2.gz	AMZXKCLAAIUGIF-NQIIRXRSSA-N	1	0	369.509	1.583	20	30		FDEDRO
C=CCCC(=O)N(C)[C@H]1CCCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1	ZINC001078876077	874102107	/nfs/dbraw/zinc/10/21/07/874102107.db2.gz	NUVKNPIBYVGWDX-IXDOHACOSA-N	1	0	351.491	1.511	20	30		FDEDRO
CCCCCCCCOCC(=O)N1C[C@@H](C[NH2+][C@@H]2CCNC2=O)[C@H](C)C1	ZINC001106255630	874169950	/nfs/dbraw/zinc/16/99/50/874169950.db2.gz	BLPNRVHILMPGFV-KZNAEPCWSA-N	1	0	367.534	1.936	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc3ccncc3s2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106256008	874172972	/nfs/dbraw/zinc/17/29/72/874172972.db2.gz	TZJHYWCGEZFLBY-TZMCWYRMSA-N	1	0	371.466	1.234	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccccc2O)[C@@H](n2ccnn2)C1	ZINC001128704941	882809527	/nfs/dbraw/zinc/80/95/27/882809527.db2.gz	AUPOZHWVFRWZFO-OIISXLGYSA-N	1	0	355.442	1.994	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(NC(=O)CNc2cccc(C#N)c2)CC1	ZINC000494959121	874311773	/nfs/dbraw/zinc/31/17/73/874311773.db2.gz	QGVDUCDCZGNWMH-UHFFFAOYSA-N	1	0	357.458	1.029	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C/C=C/Cc2ccccc2)C[C@H]1C	ZINC001106277647	874359641	/nfs/dbraw/zinc/35/96/41/874359641.db2.gz	QWBLFVSMCLEZPL-PORCLINASA-N	1	0	367.493	1.609	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccsn2)C[C@H]1C	ZINC001106301582	874614456	/nfs/dbraw/zinc/61/44/56/874614456.db2.gz	UEYMXBYHQJPLHN-HUUCEWRRSA-N	1	0	364.515	1.865	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@]2(C)C1	ZINC000993137079	874717069	/nfs/dbraw/zinc/71/70/69/874717069.db2.gz	RTGYHNQOEMWHPL-FPDPHYFHSA-N	1	0	368.481	1.828	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnc3n2CCCCC3)C[C@H]1C	ZINC001106312388	874748983	/nfs/dbraw/zinc/74/89/83/874748983.db2.gz	FCLAXMAHPFMTDL-IAGOWNOFSA-N	1	0	358.486	1.557	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)C2CCCC2)C[C@H]1C	ZINC001106328789	874794593	/nfs/dbraw/zinc/79/45/93/874794593.db2.gz	QIDONUWGOOXQKY-HZPDHXFCSA-N	1	0	356.532	1.994	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2coc(S(N)(=O)=O)c2)C[C@H]1C	ZINC001106333495	874820087	/nfs/dbraw/zinc/82/00/87/874820087.db2.gz	JSJSUKWDQLNRFW-VNHYZAJKSA-N	1	0	369.487	1.579	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(C)CCC(F)(F)CC2)C[C@H]1C	ZINC001106333256	874820227	/nfs/dbraw/zinc/82/02/27/874820227.db2.gz	GPKWCPQYMPVIPU-HUUCEWRRSA-N	1	0	369.456	1.636	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)NCc1ccc(C#N)cc1F)C2	ZINC000917055963	882874364	/nfs/dbraw/zinc/87/43/64/882874364.db2.gz	NBMXDHPUFCEENJ-SOAMZJECSA-N	1	0	374.460	1.976	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C)n(CC)c2C)C[C@H]1C	ZINC001106387184	875028199	/nfs/dbraw/zinc/02/81/99/875028199.db2.gz	CAFXNRKGHGOCAY-RHSMWYFYSA-N	1	0	358.486	1.172	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(N3CCCC3)ccn2)C[C@H]1C	ZINC001106389737	875046753	/nfs/dbraw/zinc/04/67/53/875046753.db2.gz	UYSMQHSHIGLWOW-QZTJIDSGSA-N	1	0	370.497	1.629	20	30		FDEDRO
CC(C)(C#N)CS(=O)(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000914978810	875097328	/nfs/dbraw/zinc/09/73/28/875097328.db2.gz	XIABDWMPEZJFRZ-QGZVFWFLSA-N	1	0	365.499	1.747	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCCC(=O)N2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106400160	875101140	/nfs/dbraw/zinc/10/11/40/875101140.db2.gz	GRSQMPMFHDPTQN-RLLQIKCJSA-N	1	0	367.493	1.781	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2ccc3n[nH]cc3c2)C[C@H]1C	ZINC001106415289	875180045	/nfs/dbraw/zinc/18/00/45/875180045.db2.gz	FLHVVBMXTQLVSO-CRAIPNDOSA-N	1	0	356.470	1.992	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cn2ncc3cc(C)cnc32)C[C@H]1C	ZINC001106435994	875285733	/nfs/dbraw/zinc/28/57/33/875285733.db2.gz	XBVAMHDLCOMKMB-SJLPKXTDSA-N	1	0	371.485	1.626	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3cc(F)ccc32)C[C@H]1C	ZINC001106436018	875286141	/nfs/dbraw/zinc/28/61/41/875286141.db2.gz	YBVWTFRASMKMEV-IDHHARJASA-N	1	0	371.456	1.289	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](NC(=O)COC)C(C)C)C2	ZINC001112542495	882922421	/nfs/dbraw/zinc/92/24/21/882922421.db2.gz	AUSFQVYYIFORJN-QRFRQXIXSA-N	1	0	363.502	1.015	20	30		FDEDRO
COC[C@]1(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)cc3)[C@H](C)C2)CCOC1	ZINC001106486687	875624670	/nfs/dbraw/zinc/62/46/70/875624670.db2.gz	DCVLLLOBDATVQL-OZOXKJRCSA-N	1	0	371.481	1.795	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(F)ccc2OC)C[C@H]1C	ZINC001106499932	875719669	/nfs/dbraw/zinc/71/96/69/875719669.db2.gz	QCXWWXXQZSZZRO-ZIAGYGMSSA-N	1	0	363.433	1.434	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)nc2)C[C@H]1C	ZINC001106502611	875745742	/nfs/dbraw/zinc/74/57/42/875745742.db2.gz	RYEJBIPPTMOMEC-SJLPKXTDSA-N	1	0	367.453	1.215	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(CCC)n[nH]2)C[C@H]1C	ZINC001106508360	875761774	/nfs/dbraw/zinc/76/17/74/875761774.db2.gz	DPJBWIIGGGOKNE-QLFBSQMISA-N	1	0	361.490	1.351	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH]ncc32)C[C@H]1C	ZINC001106508569	875765049	/nfs/dbraw/zinc/76/50/49/875765049.db2.gz	QARGGDSQAOOWOR-RBSFLKMASA-N	1	0	369.469	1.551	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(F)cc2C)C[C@H]1C	ZINC001106513672	875781731	/nfs/dbraw/zinc/78/17/31/875781731.db2.gz	IPFBGUZXCABNDC-HZPDHXFCSA-N	1	0	359.445	1.490	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3ncccc3s2)C[C@H]1C	ZINC001106516211	875801328	/nfs/dbraw/zinc/80/13/28/875801328.db2.gz	JKPKVMQJVQETSI-ZIAGYGMSSA-N	1	0	370.478	1.343	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCOCCNC(C)=O)[C@H](C)C1	ZINC001106517429	875812173	/nfs/dbraw/zinc/81/21/73/875812173.db2.gz	DYGQOHIAVWJMJZ-NVXWUHKLSA-N	1	0	353.507	1.426	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H](C[NH2+]Cc2nc(N(C)C)no2)[C@H](C)C1	ZINC001106533748	875886655	/nfs/dbraw/zinc/88/66/55/875886655.db2.gz	JFIQOMWVXNIFEG-HZPDHXFCSA-N	1	0	361.490	1.903	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H](C)C1	ZINC000994483106	882976066	/nfs/dbraw/zinc/97/60/66/882976066.db2.gz	QYLFUWOSXYDBAE-BRWVUGGUSA-N	1	0	365.518	1.519	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](F)C(C)C)C[C@H]1C	ZINC001106548563	875936545	/nfs/dbraw/zinc/93/65/45/875936545.db2.gz	FZQJFFCQYXJTEK-NUJGCVRESA-N	1	0	353.482	1.865	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2CCCC)[C@H](C)C1	ZINC001106556097	875945729	/nfs/dbraw/zinc/94/57/29/875945729.db2.gz	FOIRXKWVCPRMHC-IAGOWNOFSA-N	1	0	360.506	1.851	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NCCC)[C@H](C)C1	ZINC001106564335	875964763	/nfs/dbraw/zinc/96/47/63/875964763.db2.gz	YDHIDTQJBIFPOD-ARFHVFGLSA-N	1	0	366.506	1.509	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)[C@H](C)C1	ZINC001106559139	875965634	/nfs/dbraw/zinc/96/56/34/875965634.db2.gz	GDUQTKBIZORLIS-FGTMMUONSA-N	1	0	368.543	1.689	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106569329	875982137	/nfs/dbraw/zinc/98/21/37/875982137.db2.gz	FSUWEZFRDISJJN-JUXOCIIHSA-N	1	0	367.493	1.639	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cncc3sccc32)C[C@H]1C	ZINC001106575236	875996055	/nfs/dbraw/zinc/99/60/55/875996055.db2.gz	ZSFDSXDRVSMAFX-ZIAGYGMSSA-N	1	0	370.478	1.343	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CCC)c2ccccn2)C[C@H]1C	ZINC001106585583	876045904	/nfs/dbraw/zinc/04/59/04/876045904.db2.gz	KWHWCKZTTJDPAX-KURKYZTESA-N	1	0	370.497	1.399	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CCC(OC)CC2)C[C@H]1C	ZINC001106596343	876081095	/nfs/dbraw/zinc/08/10/95/876081095.db2.gz	SWFGMLDGNZBOQN-KZYLPZIUSA-N	1	0	351.491	1.178	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(F)c2F)C[C@H]1C	ZINC001106594835	876091928	/nfs/dbraw/zinc/09/19/28/876091928.db2.gz	JMZNOKYHLNVVHJ-CHWSQXEVSA-N	1	0	351.397	1.565	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c(F)cc(F)cc2F)C[C@H]1C	ZINC001106603357	876125424	/nfs/dbraw/zinc/12/54/24/876125424.db2.gz	DEHZPZXCVFZZNK-VXGBXAGGSA-N	1	0	369.387	1.704	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+]CCCS(=O)(=O)N(C)C)[C@H](C)C1	ZINC001106611906	876197407	/nfs/dbraw/zinc/19/74/07/876197407.db2.gz	GQPIKVDAACWEGR-HZPDHXFCSA-N	1	0	359.536	1.308	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C	ZINC001106612394	876198818	/nfs/dbraw/zinc/19/88/18/876198818.db2.gz	USTQSOVXVVWJMG-HZPDHXFCSA-N	1	0	359.536	1.486	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2cccc(Cl)c2)C[C@H]1C	ZINC001106614455	876208993	/nfs/dbraw/zinc/20/89/93/876208993.db2.gz	MJFLISRIFLBNBW-GDBMZVCRSA-N	1	0	363.889	1.869	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc3ncccc3c2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106618290	876233497	/nfs/dbraw/zinc/23/34/97/876233497.db2.gz	JSMDJCARSMCNTJ-RHSMWYFYSA-N	1	0	365.437	1.172	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(=O)NCC)[C@H](C)C2)CCC1	ZINC001106635777	876316583	/nfs/dbraw/zinc/31/65/83/876316583.db2.gz	CJUYTZXKIZRLOV-HUUCEWRRSA-N	1	0	364.490	1.263	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)NC(C)(C)C)[C@H](C)C2)c1	ZINC001106650280	876387072	/nfs/dbraw/zinc/38/70/72/876387072.db2.gz	HMMKRWYVSPQANF-RVKKMQEKSA-N	1	0	370.497	1.664	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N[C@@H](C)CCC)[C@H](C)C2)c1	ZINC001106650403	876388117	/nfs/dbraw/zinc/38/81/17/876388117.db2.gz	MNRYSPIHHJDPAN-JTDSTZFVSA-N	1	0	370.497	1.665	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccc3ncn(C)c3n2)C[C@H]1C	ZINC001106663154	876440313	/nfs/dbraw/zinc/44/03/13/876440313.db2.gz	SUDJBBDCRNAVMK-HUUCEWRRSA-N	1	0	357.458	1.469	20	30		FDEDRO
CC(C)c1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)nc1	ZINC001106665241	876472663	/nfs/dbraw/zinc/47/26/63/876472663.db2.gz	NKZQTTOXQSEPGP-GDBMZVCRSA-N	1	0	357.458	1.142	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1C	ZINC001106669793	876504001	/nfs/dbraw/zinc/50/40/01/876504001.db2.gz	GQNSWCOUOZDNEH-ZRJCITRHSA-N	1	0	372.307	1.303	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2CCC(F)(F)CC2)C[C@H]1C	ZINC001106700589	876609651	/nfs/dbraw/zinc/60/96/51/876609651.db2.gz	QEZRPWJYEYWFJH-IJEWVQPXSA-N	1	0	369.456	1.634	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCCO2)[C@@H](n2ccnn2)C1	ZINC001128736568	883050992	/nfs/dbraw/zinc/05/09/92/883050992.db2.gz	OZPXCRKSFRONRL-KURKYZTESA-N	1	0	361.490	1.935	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](c2ccccc2)C(C)C)C[C@H]1C	ZINC001106705962	876887777	/nfs/dbraw/zinc/88/77/77/876887777.db2.gz	QOFIBGFZXRYINV-QFUCXCTJSA-N	1	0	369.509	1.860	20	30		FDEDRO
Cc1cccc([C@@H](C)C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)c1	ZINC001106710885	876899286	/nfs/dbraw/zinc/89/92/86/876899286.db2.gz	AOBOGQXOHRGTEP-JFIYKMOQSA-N	1	0	356.470	1.422	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCOC)[C@H](C)C1	ZINC001106708660	876916938	/nfs/dbraw/zinc/91/69/38/876916938.db2.gz	FBVNZFMSMGXKJB-HZPDHXFCSA-N	1	0	353.507	1.426	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2cccs2)C[C@H]1C	ZINC001106716196	876936459	/nfs/dbraw/zinc/93/64/59/876936459.db2.gz	ZNFNHYPFMKCWGD-ARFHVFGLSA-N	1	0	361.511	1.360	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCC2CCC(S(C)(=O)=O)CC2)CC1	ZINC000917136363	883106031	/nfs/dbraw/zinc/10/60/31/883106031.db2.gz	BEZBMZIFDKYXIL-UHFFFAOYSA-N	1	0	357.520	1.539	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2ccn(C)n2)[C@H](C)C1	ZINC001106733563	877272124	/nfs/dbraw/zinc/27/21/24/877272124.db2.gz	ZQXLVXMXSLKPNS-QGPMSJSTSA-N	1	0	361.490	1.075	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]CCOCC(C)C)[C@H](C)C1	ZINC001106733588	877273009	/nfs/dbraw/zinc/27/30/09/877273009.db2.gz	AWSPGYNXZUPYBN-BHIYHBOVSA-N	1	0	367.534	1.814	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2ocnc2C)[C@H](C)C1	ZINC001106734360	877282064	/nfs/dbraw/zinc/28/20/64/877282064.db2.gz	XHIWBXMMZCLNMS-KBRIMQKVSA-N	1	0	362.474	1.638	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2cscn2)C[C@H]1C	ZINC001106736684	877320537	/nfs/dbraw/zinc/32/05/37/877320537.db2.gz	PPDHCISVSXRIQM-MGPQQGTHSA-N	1	0	350.488	1.060	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CCN(c3ccccc3OC)C2)CC1	ZINC000915789200	877375781	/nfs/dbraw/zinc/37/57/81/877375781.db2.gz	QUEZLJYUUOZVOX-KRWDZBQOSA-N	1	0	370.497	1.918	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)NC)[C@H](C)C2)cc1	ZINC001106740231	877404191	/nfs/dbraw/zinc/40/41/91/877404191.db2.gz	FPBXENWEPGPKSK-BFYDXBDKSA-N	1	0	357.454	1.131	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@]2(C)C1	ZINC000993349186	877448028	/nfs/dbraw/zinc/44/80/28/877448028.db2.gz	WINNXPYRIBWZJE-JTDSTZFVSA-N	1	0	358.486	1.329	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2cc(F)ccc2OC)C[C@H]1C	ZINC001106788507	877925176	/nfs/dbraw/zinc/92/51/76/877925176.db2.gz	ZLGOQLGEFMDCMP-NVXWUHKLSA-N	1	0	362.445	1.711	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[C@@H](C)CC)C[C@H]1C	ZINC001106793116	877950098	/nfs/dbraw/zinc/95/00/98/877950098.db2.gz	KCFGHHAIOTYHDR-ARFHVFGLSA-N	1	0	366.506	1.509	20	30		FDEDRO
C=CCn1c(-c2cccnc2)nnc1N1CC[NH+](C2CCOCC2)CC1	ZINC000282358212	877969754	/nfs/dbraw/zinc/96/97/54/877969754.db2.gz	STENVGQNFUWLDN-UHFFFAOYSA-N	1	0	354.458	1.827	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C[C@H]1C	ZINC001106795815	877972237	/nfs/dbraw/zinc/97/22/37/877972237.db2.gz	HEZNXKUWLXLCOT-BXKDBHETSA-N	1	0	354.838	1.175	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C[C@H]1C	ZINC001106796449	877978785	/nfs/dbraw/zinc/97/87/85/877978785.db2.gz	PLTUEBRYFFRCET-UMVBOHGHSA-N	1	0	362.474	1.778	20	30		FDEDRO
C=C(C)CN(C)C(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1	ZINC000499809579	878018193	/nfs/dbraw/zinc/01/81/93/878018193.db2.gz	HJYAOHKODXZYLS-UHFFFAOYSA-N	1	0	360.458	1.940	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H](c2nccn2C)C2CCOCC2)CC1	ZINC000922405869	878105073	/nfs/dbraw/zinc/10/50/73/878105073.db2.gz	MMHLFOOIYKAATC-KRWDZBQOSA-N	1	0	359.474	1.285	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)cc1	ZINC000763239055	878275378	/nfs/dbraw/zinc/27/53/78/878275378.db2.gz	DZRXQMYAPUQQPR-HXUWFJFHSA-N	1	0	365.433	1.854	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2OC)CC1	ZINC000946585143	878666334	/nfs/dbraw/zinc/66/63/34/878666334.db2.gz	MIFKDNROHKUMOZ-KBAYOESNSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C	ZINC000673594743	878808097	/nfs/dbraw/zinc/80/80/97/878808097.db2.gz	FDVAZQIMZCODQR-SFHVURJKSA-N	1	0	373.497	1.818	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N[C@H](C1CCOCC1)C1(CO)CCC1	ZINC000922631834	878857473	/nfs/dbraw/zinc/85/74/73/878857473.db2.gz	XJDOIUPONWLXGS-QGZVFWFLSA-N	1	0	351.491	1.199	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)C1	ZINC001033092103	878873534	/nfs/dbraw/zinc/87/35/34/878873534.db2.gz	OVCGVTXSXHCEAI-FHLIZLRMSA-N	1	0	354.454	1.506	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)OCc2cncc(C#N)c2)CC1=O	ZINC000922663254	878938048	/nfs/dbraw/zinc/93/80/48/878938048.db2.gz	FPGHQALYTQQLTF-SJORKVTESA-N	1	0	356.426	1.329	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)cc1	ZINC000922727575	879092662	/nfs/dbraw/zinc/09/26/62/879092662.db2.gz	BTMIEQPILIYWPP-SFHVURJKSA-N	1	0	357.454	1.751	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C3)cc1	ZINC001004359339	879223683	/nfs/dbraw/zinc/22/36/83/879223683.db2.gz	HKLJDHQCBYSWFM-NBYUQASBSA-N	1	0	365.477	1.871	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCC([NH2+]C2CCOCC2)CC1	ZINC000922857611	879535510	/nfs/dbraw/zinc/53/55/10/879535510.db2.gz	UUXQESKXBLBTDJ-UHFFFAOYSA-N	1	0	373.453	1.705	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NCCC[NH+](CCC)CCC)CC1	ZINC000728131995	912468250	/nfs/dbraw/zinc/46/82/50/912468250.db2.gz	ZQEHHRFSJFFOBH-UHFFFAOYSA-N	1	0	350.507	1.670	20	30		FDEDRO
CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1	ZINC001004498675	879723720	/nfs/dbraw/zinc/72/37/20/879723720.db2.gz	OODRKICCPDVERM-LWYYNNOASA-N	1	0	360.498	1.764	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2OC)C1	ZINC000946629560	879883840	/nfs/dbraw/zinc/88/38/40/879883840.db2.gz	ACQDEGGBXGPUBU-HZPDHXFCSA-N	1	0	361.486	1.313	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)COC)C1	ZINC001111657139	879946381	/nfs/dbraw/zinc/94/63/81/879946381.db2.gz	FLVIBPGBPZRZDL-UWVAXJGDSA-N	1	0	365.518	1.664	20	30		FDEDRO
C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)CC[C@@H]2C1	ZINC000946642635	880011705	/nfs/dbraw/zinc/01/17/05/880011705.db2.gz	OIPOVYKRHJLEDR-BARDWOONSA-N	1	0	360.376	1.136	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3ccn(C)c3c2)C[C@H]1C	ZINC001106835039	880030798	/nfs/dbraw/zinc/03/07/98/880030798.db2.gz	CACYAQJILRDQKP-CRAIPNDOSA-N	1	0	368.481	1.778	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2csc(Cl)n2)C[C@H]1C	ZINC001106838316	880231306	/nfs/dbraw/zinc/23/13/06/880231306.db2.gz	RFMFRNTUJMQPCR-GRYCIOLGSA-N	1	0	368.890	1.232	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)[C@@H](F)C(C)C)C[C@H]2C)CC1	ZINC000994133216	880731136	/nfs/dbraw/zinc/73/11/36/880731136.db2.gz	AORLDDAMCDVQNM-NXHRZFHOSA-N	1	0	365.493	1.536	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)C(CC)CC)C[C@H]2C)CC1	ZINC000994133611	880732552	/nfs/dbraw/zinc/73/25/52/880732552.db2.gz	CJYZHRCLLLSOOL-VQIMIIECSA-N	1	0	361.530	1.979	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)C1	ZINC000994142529	880800184	/nfs/dbraw/zinc/80/01/84/880800184.db2.gz	IFANGMVPRRNKFM-BHIYHBOVSA-N	1	0	359.514	1.588	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)[C@@]3(C)C=CCC3)C[C@H]2C)CC1	ZINC000994135693	880893148	/nfs/dbraw/zinc/89/31/48/880893148.db2.gz	JZQGOLXIPJLITM-JUXOCIIHSA-N	1	0	371.525	1.899	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC000994136073	880895124	/nfs/dbraw/zinc/89/51/24/880895124.db2.gz	ICFYUXRNMGUPOV-QGPMSJSTSA-N	1	0	371.485	1.585	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)c3ccccn3)C[C@H]2C)CC1	ZINC000994137257	880898089	/nfs/dbraw/zinc/89/80/89/880898089.db2.gz	REMLAFNIORLQAF-SJLPKXTDSA-N	1	0	368.481	1.251	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)c3occc3C)C[C@H]2C)CC1	ZINC000994137816	880900367	/nfs/dbraw/zinc/90/03/67/880900367.db2.gz	WQAZEYULGNPOLI-SJLPKXTDSA-N	1	0	371.481	1.758	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3c([nH]2)CCCC3)C[C@H]1C	ZINC001106844238	881017404	/nfs/dbraw/zinc/01/74/04/881017404.db2.gz	VIYXKGFNVXJAJE-GDBMZVCRSA-N	1	0	358.486	1.493	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(-n3cccc3)ccn2)C[C@H]1C	ZINC001106846675	881019786	/nfs/dbraw/zinc/01/97/86/881019786.db2.gz	HIXQRKZWPGIURM-QZTJIDSGSA-N	1	0	366.465	1.820	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC(=O)NCC2CC2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001106855903	881116505	/nfs/dbraw/zinc/11/65/05/881116505.db2.gz	WUBSFPZFSDHXAS-DNVCBOLYSA-N	1	0	368.481	1.659	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@H]2CC[N@@H+](C)C2)cn1	ZINC001004744096	881196940	/nfs/dbraw/zinc/19/69/40/881196940.db2.gz	IKEZCCQMZPDIIU-AXUOBQJMSA-N	1	0	366.465	1.266	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@@H+](C)C2CCC2)nc1	ZINC001004745215	881198478	/nfs/dbraw/zinc/19/84/78/881198478.db2.gz	RVEKQEQZDKPNIG-QRQLOZEOSA-N	1	0	366.465	1.409	20	30		FDEDRO
C#CCSCCNC(=O)NCc1ccccc1CN1CC[NH+](CC)CC1	ZINC000153795224	881260726	/nfs/dbraw/zinc/26/07/26/881260726.db2.gz	OPEZKPXCORAFNA-UHFFFAOYSA-N	1	0	374.554	1.990	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](CCN2CCCC2=O)C1	ZINC001033837182	883193107	/nfs/dbraw/zinc/19/31/07/883193107.db2.gz	LQOXXICOAAZTLK-KURKYZTESA-N	1	0	363.502	1.513	20	30		FDEDRO
CC(C)(C#N)CS(=O)(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1	ZINC000917238415	883259619	/nfs/dbraw/zinc/25/96/19/883259619.db2.gz	ZWQVTDJKVAEWNE-MRXNPFEDSA-N	1	0	351.472	1.222	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)Cc2csc(C#N)c2)CC1	ZINC000917551598	883542593	/nfs/dbraw/zinc/54/25/93/883542593.db2.gz	DUEHNDDFPJTKKW-UHFFFAOYSA-N	1	0	357.501	1.274	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCCOCC)C[C@@H]1n1ccnn1	ZINC001128784672	883601306	/nfs/dbraw/zinc/60/13/06/883601306.db2.gz	DRUIJKBOZHUSJD-ZACQAIPSSA-N	1	0	365.478	1.027	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)C[C@@H]1O	ZINC001083998949	912755098	/nfs/dbraw/zinc/75/50/98/912755098.db2.gz	XCYQLRDMSQBAKK-QGTPRVQTSA-N	1	0	362.420	1.807	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN(C(=O)OC)CC1)C(C)C	ZINC000918069707	884026673	/nfs/dbraw/zinc/02/66/73/884026673.db2.gz	UQHURZYMIHGBKG-INIZCTEOSA-N	1	0	352.479	1.779	20	30		FDEDRO
CC(=O)OCCn1c2c(cc(C#N)c1=O)C[N@@H+](Cc1ccccc1)CC2	ZINC000918096336	884078613	/nfs/dbraw/zinc/07/86/13/884078613.db2.gz	SYDHWRBCANUMGX-UHFFFAOYSA-N	1	0	351.406	1.841	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106890860	884106267	/nfs/dbraw/zinc/10/62/67/884106267.db2.gz	KPTOHNCVILQDKL-IEBWSBKVSA-N	1	0	363.461	1.735	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@@H]1n1ccnn1	ZINC001128939429	884183341	/nfs/dbraw/zinc/18/33/41/884183341.db2.gz	QQGYGGADAKIOLI-BBWFWOEESA-N	1	0	359.474	1.238	20	30		FDEDRO
C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1	ZINC001034398387	884293856	/nfs/dbraw/zinc/29/38/56/884293856.db2.gz	OCEXFEPNGYMATI-FGTMMUONSA-N	1	0	363.502	1.703	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCCN2CCCC2=O)C1	ZINC001034409869	884313153	/nfs/dbraw/zinc/31/31/53/884313153.db2.gz	ZGRWNMNDMLRLCY-KSZLIROESA-N	1	0	363.502	1.561	20	30		FDEDRO
CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001034435567	884364880	/nfs/dbraw/zinc/36/48/80/884364880.db2.gz	KARCDOJXRWZBFT-CMKODMSKSA-N	1	0	368.481	1.595	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](C[C@@H](OC)C2CCC2)C[C@@H]1O	ZINC001083999458	912823698	/nfs/dbraw/zinc/82/36/98/912823698.db2.gz	QSWCJMGRUSQSMB-HSALFYBXSA-N	1	0	356.466	1.187	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001128962257	884485801	/nfs/dbraw/zinc/48/58/01/884485801.db2.gz	RAIVLQYWKFWXDF-WSTZPKSXSA-N	1	0	369.469	1.455	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@@H]1n1ccnn1	ZINC001128961694	884486104	/nfs/dbraw/zinc/48/61/04/884486104.db2.gz	GVVYZUMKLLMKME-AOIWGVFYSA-N	1	0	359.474	1.447	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C)C[C@@H]1n1ccnn1	ZINC001128979974	884566614	/nfs/dbraw/zinc/56/66/14/884566614.db2.gz	IEGKOYFGKURPLE-UHOSZYNNSA-N	1	0	367.453	1.167	20	30		FDEDRO
C=C(Br)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2OCCO[C@H]2C)CC1	ZINC001034664227	884633314	/nfs/dbraw/zinc/63/33/14/884633314.db2.gz	ZERIZPUHYQSJPP-XUXIUFHCSA-N	1	0	361.280	1.716	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCOCC2CC2)[C@@H](n2ccnn2)C1	ZINC001128984920	884692258	/nfs/dbraw/zinc/69/22/58/884692258.db2.gz	CFMCKYKAMWRVQY-JQHSSLGASA-N	1	0	361.490	1.791	20	30		FDEDRO
CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@@H](n2ccnn2)C1)C1CCCC1	ZINC001128984998	884699541	/nfs/dbraw/zinc/69/95/41/884699541.db2.gz	GJYJIRVSVXMBSQ-QYZOEREBSA-N	1	0	371.485	1.238	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@@H]1n1ccnn1	ZINC001128989194	884804390	/nfs/dbraw/zinc/80/43/90/884804390.db2.gz	MIKYVLSGZPHRHH-JQHSSLGASA-N	1	0	359.474	1.238	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3n[nH]cc32)[C@@H](n2ccnn2)C1	ZINC001128993929	884901953	/nfs/dbraw/zinc/90/19/53/884901953.db2.gz	ZJRQZRSFDGFCGG-QGTPRVQTSA-N	1	0	369.473	1.429	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)CC(C)C)C[C@@H]1n1ccnn1	ZINC001128998733	884935850	/nfs/dbraw/zinc/93/58/50/884935850.db2.gz	DUKZCFHDKQPDRV-KURKYZTESA-N	1	0	361.490	1.342	20	30		FDEDRO
Cc1onc(CC(=O)NCc2ccc(CN3CCOCC3)cc2)c1C#N	ZINC000498515549	885108447	/nfs/dbraw/zinc/10/84/47/885108447.db2.gz	UNSIRTCKYKEIRL-UHFFFAOYSA-N	1	0	354.410	1.546	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(C[NH2+][C@@H]2CCN(C)C2=O)cc1	ZINC001034827181	885233680	/nfs/dbraw/zinc/23/36/80/885233680.db2.gz	UQGMKZDRELKNFS-KURKYZTESA-N	1	0	357.454	1.214	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2c(F)cncc2F)[C@@H](n2ccnn2)C1	ZINC001129019879	885248913	/nfs/dbraw/zinc/24/89/13/885248913.db2.gz	COUVHFMFOBRHAB-CABCVRRESA-N	1	0	362.384	1.573	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C3CC3)C[C@@H]2O)nc1	ZINC001083969489	912917795	/nfs/dbraw/zinc/91/77/95/912917795.db2.gz	FSFNGEKUHZCZAW-RTWAWAEBSA-N	1	0	361.445	1.915	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1CN(Cc2conc2CC)C[C@@H]1n1ccnn1	ZINC001129026033	885287948	/nfs/dbraw/zinc/28/79/48/885287948.db2.gz	XBIWTJIZEJRMNT-SJORKVTESA-N	1	0	358.446	1.727	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H](OC)C3CCCC3)C[C@@H]2O)nc1	ZINC001083969792	912918875	/nfs/dbraw/zinc/91/88/75/912918875.db2.gz	UZSVHWVWRHFETO-CEXWTWQISA-N	1	0	357.454	1.043	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001034939489	885382637	/nfs/dbraw/zinc/38/26/37/885382637.db2.gz	BKQPCKXDNWJUJC-ZTFGCOKTSA-N	1	0	354.454	1.554	20	30		FDEDRO
C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1	ZINC001005754944	885480041	/nfs/dbraw/zinc/48/00/41/885480041.db2.gz	FARJVIRRMUXQQN-MOPGFXCFSA-N	1	0	365.518	1.365	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)CC(F)F)[C@@H](n2ccnn2)C1	ZINC001129053411	885582588	/nfs/dbraw/zinc/58/25/88/885582588.db2.gz	YHZCUNOCEJQLRJ-ZNMIVQPWSA-N	1	0	371.432	1.504	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC(C)(C)C1	ZINC001089490461	885609406	/nfs/dbraw/zinc/60/94/06/885609406.db2.gz	BIVSXFINOGDOQD-ZACQAIPSSA-N	1	0	363.502	1.252	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2(COCC)CC2)[C@@H](n2ccnn2)C1	ZINC001129084653	885712450	/nfs/dbraw/zinc/71/24/50/885712450.db2.gz	RGQQMCXPTHWTJD-BBWFWOEESA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ncc(OC)cn2)[C@@H](n2ccnn2)C1	ZINC001129094078	885725988	/nfs/dbraw/zinc/72/59/88/885725988.db2.gz	YPGGTMLGSXCLML-BMFZPTHFSA-N	1	0	371.445	1.087	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(C)(C)CC)[C@H](C)C2)cn1	ZINC001106894264	885739550	/nfs/dbraw/zinc/73/95/50/885739550.db2.gz	HYFVYZRYDMAAGH-NVXWUHKLSA-N	1	0	370.497	1.665	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC3CCC3)[C@H](C)C2)cn1	ZINC001106894425	885753058	/nfs/dbraw/zinc/75/30/58/885753058.db2.gz	LFNXHHIODXTYIN-CRAIPNDOSA-N	1	0	368.481	1.277	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC[N@H+](CC(=O)N3CCC3)C2)CC1	ZINC001035230316	885816070	/nfs/dbraw/zinc/81/60/70/885816070.db2.gz	GYMQRPPLJWRNNU-SJORKVTESA-N	1	0	361.486	1.124	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2c(C)c(C)n[nH]c2=O)[C@@H](n2ccnn2)C1	ZINC001129144855	885866789	/nfs/dbraw/zinc/86/67/89/885866789.db2.gz	VKLHBOBSTQCELK-CABCVRRESA-N	1	0	371.445	1.012	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](OCC)C2CC2)C[C@@H]1n1ccnn1	ZINC001129159082	885890350	/nfs/dbraw/zinc/89/03/50/885890350.db2.gz	CLFNLKJQRRKUPH-IXDOHACOSA-N	1	0	361.490	1.647	20	30		FDEDRO
C=CCCN1CCO[C@@H](CNC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1	ZINC001035401352	885972209	/nfs/dbraw/zinc/97/22/09/885972209.db2.gz	AAAXJPBBSGMVQU-KSZLIROESA-N	1	0	363.502	1.561	20	30		FDEDRO
CC#CCN1CCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1	ZINC001035517387	886111187	/nfs/dbraw/zinc/11/11/87/886111187.db2.gz	SLGNYPYXRPCJJZ-ZCNNSNEGSA-N	1	0	355.482	1.172	20	30		FDEDRO
C[C@@H](Nc1ccncc1C#N)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001061890421	886228621	/nfs/dbraw/zinc/22/86/21/886228621.db2.gz	ZSJOGBIVKUDQLI-IIDMSEBBSA-N	1	0	355.486	1.754	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N[C@@H](C)C(C)C)[C@H](C)C2)nc1	ZINC001106898245	886390138	/nfs/dbraw/zinc/39/01/38/886390138.db2.gz	ZVPDTNJJENUBCT-SOLBZPMBSA-N	1	0	370.497	1.521	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(C[NH+](Cc3ccn(C)c(=O)c3)C2)CC1	ZINC001035801050	886484663	/nfs/dbraw/zinc/48/46/63/886484663.db2.gz	SKSXROKOXLEBLO-MSOLQXFVSA-N	1	0	371.481	1.401	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2conc2C)[C@@H](n2ccnn2)C1	ZINC001129220350	886629799	/nfs/dbraw/zinc/62/97/99/886629799.db2.gz	VULKZMSLMZWJPV-SJORKVTESA-N	1	0	358.446	1.976	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2C[N@@H+](CCC[C@@H](C)O)C[C@@H]2n2ccnn2)CC1	ZINC001129228322	886706727	/nfs/dbraw/zinc/70/67/27/886706727.db2.gz	NJTQISYVIYQXRJ-NXHRZFHOSA-N	1	0	361.490	1.527	20	30		FDEDRO
C=CCCC1(C(=O)N[C@@H]2C[N@@H+](CCC[C@@H](C)O)C[C@@H]2n2ccnn2)CC1	ZINC001129239134	886749830	/nfs/dbraw/zinc/74/98/30/886749830.db2.gz	PZPIZBNWINZEGQ-ZACQAIPSSA-N	1	0	361.490	1.527	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H](C)Oc2cccnc2)[C@@H](n2ccnn2)C1	ZINC001129252663	886864064	/nfs/dbraw/zinc/86/40/64/886864064.db2.gz	GLOZDCCJBAFWNP-JQHSSLGASA-N	1	0	370.457	1.448	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)c2cccc(F)c2)[C@@H](n2ccnn2)C1	ZINC001129252725	886866636	/nfs/dbraw/zinc/86/66/36/886866636.db2.gz	HYWPRPRIFXUELX-LZQZEXGQSA-N	1	0	369.444	1.976	20	30		FDEDRO
CCc1nc(C#N)cc(N(C)C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001062186033	886986598	/nfs/dbraw/zinc/98/65/98/886986598.db2.gz	DOTDAEXXUXVLAL-BFYDXBDKSA-N	1	0	370.501	1.536	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC(CN(C)c3nccnc3C#N)CC2)CC[N@@H+]1C	ZINC001062234837	886992275	/nfs/dbraw/zinc/99/22/75/886992275.db2.gz	PVOGNPDGSJUZHC-GDBMZVCRSA-N	1	0	356.474	1.363	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCCN1C(=O)C[NH+](CC)CC	ZINC001062227633	886993802	/nfs/dbraw/zinc/99/38/02/886993802.db2.gz	GIYYRZDILKJKJR-AOIWGVFYSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC	ZINC001062293102	887033785	/nfs/dbraw/zinc/03/37/85/887033785.db2.gz	SXVHFRCFSVJVGX-KURKYZTESA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCCN1C(=O)CCC[NH+](C)C	ZINC001062329639	887057111	/nfs/dbraw/zinc/05/71/11/887057111.db2.gz	CANRPQWSGPNQNL-KURKYZTESA-N	1	0	365.518	1.807	20	30		FDEDRO
C=CCN(C(=O)Cc1nnc(NC)s1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000376295941	887151474	/nfs/dbraw/zinc/15/14/74/887151474.db2.gz	KEJCZZGNJSZRSZ-INIZCTEOSA-N	1	0	371.510	2.411	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C(=O)NC)cc2)C1	ZINC001031678768	887317201	/nfs/dbraw/zinc/31/72/01/887317201.db2.gz	UXNCIINEKLJJCW-MOPGFXCFSA-N	1	0	371.481	1.575	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CCOCC)C[C@H]2OC)cc1	ZINC001212255366	887864350	/nfs/dbraw/zinc/86/43/50/887864350.db2.gz	JYKSPZOJMCADJZ-RTBURBONSA-N	1	0	360.454	1.554	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NCC[C@@H]3CNC(=O)C3)CC2)c1	ZINC000923093060	888007607	/nfs/dbraw/zinc/00/76/07/888007607.db2.gz	XNYIEHLSMWUAEL-INIZCTEOSA-N	1	0	369.469	1.348	20	30		FDEDRO
C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](C2CCC2)CC1	ZINC000282143734	888087535	/nfs/dbraw/zinc/08/75/35/888087535.db2.gz	BPESXUHRIBNBAN-UHFFFAOYSA-N	1	0	367.457	1.786	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)C[C@H]1OC	ZINC001212262803	888174047	/nfs/dbraw/zinc/17/40/47/888174047.db2.gz	ZFMLAHWOCNAISD-WOJBJXKFSA-N	1	0	356.466	1.919	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC([C@@H](C)NC(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC001005942535	888178343	/nfs/dbraw/zinc/17/83/43/888178343.db2.gz	DUZWNLAQQMDVPX-OAUYIBNBSA-N	1	0	357.458	1.193	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(CN(C)C)on2)C1	ZINC001005951797	888199841	/nfs/dbraw/zinc/19/98/41/888199841.db2.gz	RJHMRKYMYHQRBE-UNEWFSDZSA-N	1	0	372.469	1.954	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@H]1OC	ZINC001212265009	888276742	/nfs/dbraw/zinc/27/67/42/888276742.db2.gz	XDMPTMMBEYADDS-QXAKKESOSA-N	1	0	360.454	1.057	20	30		FDEDRO
CC1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(C#N)[nH]2)CC1	ZINC000999711516	913235574	/nfs/dbraw/zinc/23/55/74/913235574.db2.gz	LRULQCWRXDKRDF-NJAFHUGGSA-N	1	0	369.469	1.480	20	30		FDEDRO
C=C(C)CN1C[C@@H](NC(=O)COc2cccc(OC)c2)[C@@H](n2ccnn2)C1	ZINC001129281678	888478312	/nfs/dbraw/zinc/47/83/12/888478312.db2.gz	ZXPYOSWZGOVNEQ-MSOLQXFVSA-N	1	0	371.441	1.283	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCCc3cccc(C)c3)C[C@@H]2O)c1	ZINC001083765022	888908273	/nfs/dbraw/zinc/90/82/73/888908273.db2.gz	JPZPUKWSKUBFNV-RTWAWAEBSA-N	1	0	363.461	1.779	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2c[nH]cc2-c2cnn(C)c2)[C@H](OC)C1	ZINC001212272373	888971729	/nfs/dbraw/zinc/97/17/29/888971729.db2.gz	OYCIAIUCUWMCKI-QZTJIDSGSA-N	1	0	357.458	1.810	20	30		FDEDRO
COc1ccc(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)nn1	ZINC000329109020	889085393	/nfs/dbraw/zinc/08/53/93/889085393.db2.gz	FTYUJYSKPWYDKY-UHFFFAOYSA-N	1	0	363.462	2.094	20	30		FDEDRO
Cn1cc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)c(-c2ccccc2)n1	ZINC000180236771	889302248	/nfs/dbraw/zinc/30/22/48/889302248.db2.gz	XIAUPTWZOIACJC-HNENSFHCSA-N	1	0	351.410	1.703	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)N[C@@H]1C[C@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O	ZINC000923487729	889414913	/nfs/dbraw/zinc/41/49/13/889414913.db2.gz	HCXRCCFKCBKRFE-VYIWNADRSA-N	1	0	351.491	1.194	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)N[C@@H]1C[C@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O	ZINC000923487732	889415359	/nfs/dbraw/zinc/41/53/59/889415359.db2.gz	HCXRCCFKCBKRFE-ZQOJQMTGSA-N	1	0	351.491	1.194	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1	ZINC000938860921	889465226	/nfs/dbraw/zinc/46/52/26/889465226.db2.gz	UTLBEHBEOIHWDT-OTWHNJEPSA-N	1	0	371.481	1.670	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1	ZINC000938861556	889468390	/nfs/dbraw/zinc/46/83/90/889468390.db2.gz	RVVCAXOGAIJEBS-KSZLIROESA-N	1	0	363.502	1.415	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CCc1ccc2c(c1)OCCO2	ZINC001127604639	889503554	/nfs/dbraw/zinc/50/35/54/889503554.db2.gz	IGDKNEYZOAQVBC-SJORKVTESA-N	1	0	360.454	1.687	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1C1CCC1)C2	ZINC001112543815	889610512	/nfs/dbraw/zinc/61/05/12/889610512.db2.gz	XDIUABIVIOWWNR-UGNRZPKXSA-N	1	0	357.498	1.390	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccc2c(c1)CCC2	ZINC001127612696	889901402	/nfs/dbraw/zinc/90/14/02/889901402.db2.gz	AEKPBQWPYYNSRU-MOPGFXCFSA-N	1	0	371.481	1.801	20	30		FDEDRO
Nc1nccc([C@H]2CCCN(CC(=O)NC3CC[NH+](C4CC4)CC3)C2)n1	ZINC000328763259	889909271	/nfs/dbraw/zinc/90/92/71/889909271.db2.gz	ZYMCUMFAJZFRJA-AWEZNQCLSA-N	1	0	358.490	1.822	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)c2ccc(CSc3nc[nH]n3)cc2)C1	ZINC000923578953	889932516	/nfs/dbraw/zinc/93/25/16/889932516.db2.gz	JXWKAKOAYPAEIX-MRXNPFEDSA-N	1	0	355.467	1.924	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@@H]1CN([C@@H](C)c2cnccn2)C[C@@H]1n1ccnn1	ZINC001129283853	890029290	/nfs/dbraw/zinc/02/92/90/890029290.db2.gz	BNLLNUBIFNBBST-UAGQMJEPSA-N	1	0	369.473	1.773	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1CN(CC(=O)N[C@@H](C)CC)C[C@H]1OC	ZINC001212321280	890116356	/nfs/dbraw/zinc/11/63/56/890116356.db2.gz	ZUWHEQIEANPPMZ-USXIJHARSA-N	1	0	351.491	1.485	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1CN(CC(=O)N[C@@H](C)C(C)C)C[C@H]1OC	ZINC001212325255	890149008	/nfs/dbraw/zinc/14/90/08/890149008.db2.gz	UKTUNQNIVUVOMO-ARFHVFGLSA-N	1	0	353.507	1.565	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CCN(c3ccc(C#N)nn3)C2)CC[N@@H+]1C	ZINC001063148694	890248943	/nfs/dbraw/zinc/24/89/43/890248943.db2.gz	VCFXIRQPFTVRIR-YESZJQIVSA-N	1	0	356.474	1.506	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1	ZINC001063222241	890326916	/nfs/dbraw/zinc/32/69/16/890326916.db2.gz	ZXWHJUGORZFIHL-BZUAXINKSA-N	1	0	351.491	1.463	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2CCCCN(c3ncc(C#N)cc3F)C2)CC[N@@H+]1C	ZINC001063240792	890376033	/nfs/dbraw/zinc/37/60/33/890376033.db2.gz	FYEREAQMQWYONX-FVQBIDKESA-N	1	0	359.449	1.908	20	30		FDEDRO
C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1	ZINC000077840265	890401137	/nfs/dbraw/zinc/40/11/37/890401137.db2.gz	MRZDSDVGKJPWHB-LJQANCHMSA-N	1	0	365.433	1.064	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1OC	ZINC001212341201	890461392	/nfs/dbraw/zinc/46/13/92/890461392.db2.gz	WDLSBVXQBZBONX-GVDBMIGSSA-N	1	0	354.491	1.600	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CCC2)CC1	ZINC001063341193	890474708	/nfs/dbraw/zinc/47/47/08/890474708.db2.gz	MJXRKJJTTGCXMO-KURKYZTESA-N	1	0	373.497	1.054	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cnc3cc[nH]cc-3c2=O)[C@H](OC)C1	ZINC001212342502	890625629	/nfs/dbraw/zinc/62/56/29/890625629.db2.gz	CVFCMJICHGVCET-MORSLUCNSA-N	1	0	370.453	1.707	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[NH+]3CCC(C)CC3)C2)cn1	ZINC000939491265	890743793	/nfs/dbraw/zinc/74/37/93/890743793.db2.gz	UJONTWMRCJWLAA-VQIMIIECSA-N	1	0	368.481	1.372	20	30		FDEDRO
C=CCCC1(C(=O)NC[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)CC1	ZINC001065205670	913521389	/nfs/dbraw/zinc/52/13/89/913521389.db2.gz	GHXWVIPXCKSKAW-IXDOHACOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](CC(=O)NC2CCCC2)CC1	ZINC001001852762	891456653	/nfs/dbraw/zinc/45/66/53/891456653.db2.gz	WRGFYPPSUQLKJQ-MSOLQXFVSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CC[NH+](CC(=O)NC2CC2)CC1	ZINC001001933313	891684851	/nfs/dbraw/zinc/68/48/51/891684851.db2.gz	HYPWCZGSQSNPHP-HKUYNNGSSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CC[NH+](CCn2cncn2)CC1	ZINC001001935092	891689357	/nfs/dbraw/zinc/68/93/57/891689357.db2.gz	VETDNDWXGSVCKV-ROUUACIJSA-N	1	0	361.490	1.478	20	30		FDEDRO
CC1([NH2+]Cc2cc(F)ccc2C#N)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000940107645	891818882	/nfs/dbraw/zinc/81/88/82/891818882.db2.gz	MDFAGBCJZJXYHZ-HZPDHXFCSA-N	1	0	360.389	1.833	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(C#N)[nH]2)C3)C1	ZINC001002086417	891908833	/nfs/dbraw/zinc/90/88/33/891908833.db2.gz	VBQOIFFUPZEACI-WNOSKKOXSA-N	1	0	355.442	1.090	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CN(C(=O)C2CC[NH+](C)CC2)C1	ZINC001002150055	891993316	/nfs/dbraw/zinc/99/33/16/891993316.db2.gz	GJOQLDULSDEMSD-ROUUACIJSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CN(C(=O)C2([NH+](C)C)CCC2)C1	ZINC001002150382	891994244	/nfs/dbraw/zinc/99/42/44/891994244.db2.gz	LQOMWJNTWSJMNU-IRXDYDNUSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1	ZINC000940287581	892156240	/nfs/dbraw/zinc/15/62/40/892156240.db2.gz	JUIXBRQDOYEKDQ-MBOZVWFJSA-N	1	0	367.493	1.658	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1	ZINC000940309626	892249502	/nfs/dbraw/zinc/24/95/02/892249502.db2.gz	MXBUHPNJFSTJNV-OXQOHEQNSA-N	1	0	367.493	1.781	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C	ZINC000940383645	892370225	/nfs/dbraw/zinc/37/02/25/892370225.db2.gz	RGIBKDKEKALIEN-TVFCKZIOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001002259170	892399364	/nfs/dbraw/zinc/39/93/64/892399364.db2.gz	YKGKAUNNGKWSKB-DLBZAZTESA-N	1	0	358.486	1.593	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CC)[C@H](C)C1	ZINC001106922583	892595544	/nfs/dbraw/zinc/59/55/44/892595544.db2.gz	IYTPOPKGLYSJDB-YLJYHZDGSA-N	1	0	369.509	1.763	20	30		FDEDRO
N#CCCc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)cc1	ZINC000921910866	892749635	/nfs/dbraw/zinc/74/96/35/892749635.db2.gz	GUOSOODDZVZQGS-QGZVFWFLSA-N	1	0	363.483	1.674	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCC2(NC(=O)OC(C)(C)C)CCC2)CC1	ZINC000921926023	892981530	/nfs/dbraw/zinc/98/15/30/892981530.db2.gz	RYFHKJCUHSDHLA-UHFFFAOYSA-N	1	0	364.490	1.831	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1	ZINC000940720203	893009992	/nfs/dbraw/zinc/00/99/92/893009992.db2.gz	GQNQDIGHMLSDDE-TWMKSMIVSA-N	1	0	351.491	1.271	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1	ZINC000940720400	893011248	/nfs/dbraw/zinc/01/12/48/893011248.db2.gz	RQGZJZYKTPFIRQ-RYRKJORJSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)NC)[C@H](C)C2)CCOCC1	ZINC001106933577	893042065	/nfs/dbraw/zinc/04/20/65/893042065.db2.gz	ZCSREQDSBMZALB-OWCLPIDISA-N	1	0	351.491	1.178	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000921932372	893055398	/nfs/dbraw/zinc/05/53/98/893055398.db2.gz	FNZDBNCYCWPKEA-HNNXBMFYSA-N	1	0	364.490	1.640	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1COCCN1CC)C2	ZINC001112441044	893094140	/nfs/dbraw/zinc/09/41/40/893094140.db2.gz	NYDXWGQAHSERBC-JZXOWHBKSA-N	1	0	355.910	1.678	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2OCC)C[C@H]1C	ZINC001106939670	893104790	/nfs/dbraw/zinc/10/47/90/893104790.db2.gz	FUSPRSITDCGZEB-HZPDHXFCSA-N	1	0	357.454	1.132	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC(C)(C)C(F)(F)F)C[C@H]1C	ZINC001106937100	893165596	/nfs/dbraw/zinc/16/55/96/893165596.db2.gz	HYPNVBXOQSSBOU-CHWSQXEVSA-N	1	0	363.424	1.951	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CCCc3c2cnn3C)CC1	ZINC000672355321	893174781	/nfs/dbraw/zinc/17/47/81/893174781.db2.gz	HZBUYRCURONIHI-INIZCTEOSA-N	1	0	359.474	1.023	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CN(C)C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC001002556783	893209053	/nfs/dbraw/zinc/20/90/53/893209053.db2.gz	NSEHXSPNFJYBQR-XYJFISCASA-N	1	0	371.485	1.680	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCO[C@H](c3ccccc3)C2)CC1	ZINC000672354846	893216632	/nfs/dbraw/zinc/21/66/32/893216632.db2.gz	PNYJHRLZZMRBRK-IBGZPJMESA-N	1	0	371.481	1.743	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(F)cc2Cl)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106942767	893307085	/nfs/dbraw/zinc/30/70/85/893307085.db2.gz	WLDLETBCGUTYKO-VXGBXAGGSA-N	1	0	366.824	1.417	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1	ZINC001002603314	893372557	/nfs/dbraw/zinc/37/25/57/893372557.db2.gz	JPCQUDKMRMNAKB-AKHDSKFASA-N	1	0	357.498	1.911	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1	ZINC000921954938	893415328	/nfs/dbraw/zinc/41/53/28/893415328.db2.gz	BBTAFLPJFNMECO-CHWSQXEVSA-N	1	0	351.451	1.139	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C(C)(C)C1	ZINC000941028802	893697324	/nfs/dbraw/zinc/69/73/24/893697324.db2.gz	OSEPZLCPNVCXHH-OWCLPIDISA-N	1	0	351.491	1.415	20	30		FDEDRO
CC1(C)C[N@H+](Cc2ccc(C#N)s2)CC[C@@H]1NC(=O)[C@H]1C[C@H]1C(N)=O	ZINC000941034118	893711762	/nfs/dbraw/zinc/71/17/62/893711762.db2.gz	BHJHULOACADRMR-ILXRZTDVSA-N	1	0	360.483	1.458	20	30		FDEDRO
Cc1c(-c2cc(CN3CC[C@@H]4CN(C(=O)[C@@H](C)C#N)[C@@H]4C3)on2)cnn1C	ZINC001084236586	913798639	/nfs/dbraw/zinc/79/86/39/913798639.db2.gz	KFIFPQBMGVFNTE-WPKBUWHJSA-N	1	0	368.441	1.576	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C(C)(C)C1	ZINC000941091479	893845250	/nfs/dbraw/zinc/84/52/50/893845250.db2.gz	UYCZXYUDBZTULH-FGTMMUONSA-N	1	0	358.486	1.528	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000941112105	893919843	/nfs/dbraw/zinc/91/98/43/893919843.db2.gz	YKRXKBIMRGKUES-HKUYNNGSSA-N	1	0	363.502	1.514	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)Cc2nc(C)sc2C)[C@H](OC)C1	ZINC001212462311	893923501	/nfs/dbraw/zinc/92/35/01/893923501.db2.gz	AYAARKJXAYVEHB-HZPDHXFCSA-N	1	0	353.488	1.320	20	30		FDEDRO
C=CCOc1ccc(C(=O)NC2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cc1	ZINC000995127782	893961420	/nfs/dbraw/zinc/96/14/20/893961420.db2.gz	MFGOIKICIWVDGW-RBUKOAKNSA-N	1	0	371.481	1.922	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1	ZINC000941200431	894097158	/nfs/dbraw/zinc/09/71/58/894097158.db2.gz	IXKBHUQSFVUFHR-BZSNNMDCSA-N	1	0	365.518	1.615	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cnc(Cl)c(OC)c1	ZINC000922022099	894481827	/nfs/dbraw/zinc/48/18/27/894481827.db2.gz	IAAAPMQCUUAMSC-UHFFFAOYSA-N	1	0	357.863	1.462	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc2oc(=O)ccc2c1	ZINC000922027677	894553288	/nfs/dbraw/zinc/55/32/88/894553288.db2.gz	ZKBSXYKCWGSCJE-UHFFFAOYSA-N	1	0	360.435	1.511	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](CCO[C@H]2CC2(F)F)CC1	ZINC001002846702	894583947	/nfs/dbraw/zinc/58/39/47/894583947.db2.gz	IZXGSEBWBPMXOI-PMPSAXMXSA-N	1	0	358.429	1.972	20	30		FDEDRO
C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)[C@@H]3CCCO[C@H]3C=C)CC2)C1=O	ZINC001002849135	894595986	/nfs/dbraw/zinc/59/59/86/894595986.db2.gz	PVXWUNMEGSKSNL-KURKYZTESA-N	1	0	361.486	1.335	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCN(Cc2ccnc(OC)n2)CC1	ZINC001002849631	894597439	/nfs/dbraw/zinc/59/74/39/894597439.db2.gz	WDOJTWZHMPBWIP-SJORKVTESA-N	1	0	360.458	1.547	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCCN(C(=O)[C@@H]3C[C@H]3CCC)CC2)CC1	ZINC000941329480	894734023	/nfs/dbraw/zinc/73/40/23/894734023.db2.gz	ZOUZWABOPHJXTO-RTBURBONSA-N	1	0	359.514	1.829	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@@H]4COC(=O)C4)[C@@H]3C2)cc1	ZINC001084279556	913913420	/nfs/dbraw/zinc/91/34/20/913913420.db2.gz	JCPHLGVJOAITEY-RCCFBDPRSA-N	1	0	353.422	1.544	20	30		FDEDRO
C=C(Cl)CN1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1	ZINC000999985814	896515450	/nfs/dbraw/zinc/51/54/50/896515450.db2.gz	FNOYBQAETUTAMW-FVQBIDKESA-N	1	0	366.897	1.234	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)nn2)C1	ZINC000999998476	896548562	/nfs/dbraw/zinc/54/85/62/896548562.db2.gz	SJKLOGLRGDVHDS-ARFHVFGLSA-N	1	0	355.446	1.244	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCC1(c2ccccc2OC)CCC1	ZINC000183834147	896562317	/nfs/dbraw/zinc/56/23/17/896562317.db2.gz	JNAWHGYSHAIQMS-UHFFFAOYSA-N	1	0	360.502	1.614	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C	ZINC001077884041	896637218	/nfs/dbraw/zinc/63/72/18/896637218.db2.gz	AZRLXIVBXKQESZ-QAETUUGQSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1	ZINC000942451406	897063702	/nfs/dbraw/zinc/06/37/02/897063702.db2.gz	HVWGACXNUCSXIB-ZACQAIPSSA-N	1	0	361.486	1.171	20	30		FDEDRO
COc1cc(CNC(=O)NCC2(O)CC[NH+](C(C)C)CC2)ccc1C#N	ZINC000462474046	897123073	/nfs/dbraw/zinc/12/30/73/897123073.db2.gz	QLGKPAQGVABKBW-UHFFFAOYSA-N	1	0	360.458	1.601	20	30		FDEDRO
C#CC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)C[C@@H]3C[C@H]3C3CC3)C2)n1	ZINC001128112701	897183620	/nfs/dbraw/zinc/18/36/20/897183620.db2.gz	MAKWHPZURUQKEY-UHOSZYNNSA-N	1	0	352.482	1.936	20	30		FDEDRO
CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C	ZINC000942575701	897391254	/nfs/dbraw/zinc/39/12/54/897391254.db2.gz	BKUSZEPBYMOLEG-QZTJIDSGSA-N	1	0	366.421	1.012	20	30		FDEDRO
C=CC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)n1	ZINC001128133482	897438196	/nfs/dbraw/zinc/43/81/96/897438196.db2.gz	ZTGYYWNAZRQLNZ-MLHJIOFPSA-N	1	0	356.470	1.620	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCO[C@H]2C(=C)C)CC2(CCOCC2)C1	ZINC001089962980	897466099	/nfs/dbraw/zinc/46/60/99/897466099.db2.gz	DGGIYABNYZEKET-FHWLQOOXSA-N	1	0	360.498	1.978	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2cc(C)ccc2OC)CC1	ZINC000671141369	897492602	/nfs/dbraw/zinc/49/26/02/897492602.db2.gz	DSPZJLFPXHMBCM-UHFFFAOYSA-N	1	0	359.470	1.777	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2nc(C)c(Cl)c2C)C[C@H]1C	ZINC001106990779	897866862	/nfs/dbraw/zinc/86/68/62/897866862.db2.gz	AXBBYCCKVZBTFL-CZUORRHYSA-N	1	0	366.893	1.487	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C	ZINC001212437062	897941105	/nfs/dbraw/zinc/94/11/05/897941105.db2.gz	YVHKXSDIHWTACG-QRVBRYPASA-N	1	0	358.486	1.460	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cncnc2C(C)C)C[C@H]1C	ZINC001106991338	897998071	/nfs/dbraw/zinc/99/80/71/897998071.db2.gz	XZUJQJTXDIOLQN-HUUCEWRRSA-N	1	0	359.474	1.200	20	30		FDEDRO
C=CCOCC(=O)N1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CC2	ZINC001060952232	898048823	/nfs/dbraw/zinc/04/88/23/898048823.db2.gz	WYUSFTNIYUIOGW-DLBZAZTESA-N	1	0	363.502	1.370	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN2C(=O)CCC)C1	ZINC001078219886	898399580	/nfs/dbraw/zinc/39/95/80/898399580.db2.gz	QHSNDYNGTUFFEM-BRWVUGGUSA-N	1	0	351.491	1.295	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000943284553	898613137	/nfs/dbraw/zinc/61/31/37/898613137.db2.gz	CWQZARMMFHSXOE-SOLBZPMBSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CC1CC[NH+](C)CC1	ZINC001078535617	898885418	/nfs/dbraw/zinc/88/54/18/898885418.db2.gz	ZTKFOOZNLZNCCF-UAGQMJEPSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)C2CC[NH+](C)CC2)C1	ZINC000943546593	898998920	/nfs/dbraw/zinc/99/89/20/898998920.db2.gz	FPNVOJDUJGJIPO-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C[C@@H](Cc1ccccc1)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001107012016	899536763	/nfs/dbraw/zinc/53/67/63/899536763.db2.gz	WFHRCYCYFJSOKC-LZLYRXPVSA-N	1	0	356.470	1.189	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C3CC3)cc2)C[C@H]1C	ZINC001107015558	899545766	/nfs/dbraw/zinc/54/57/66/899545766.db2.gz	URXABZDQHRKHGF-DNVCBOLYSA-N	1	0	353.466	1.611	20	30		FDEDRO
CCn1ncc(C[NH2+]C[C@@H]2CN(C(=O)CC#Cc3ccccc3)C[C@H]2C)n1	ZINC001107016752	899549787	/nfs/dbraw/zinc/54/97/87/899549787.db2.gz	CTXUQLVXKQJVSY-IEBWSBKVSA-N	1	0	365.481	1.924	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)c2ccccc2C)C[C@H]1C	ZINC001107017034	899553358	/nfs/dbraw/zinc/55/33/58/899553358.db2.gz	MATAWJKFGDHESK-KZNAEPCWSA-N	1	0	355.482	1.532	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3nnc(C)n3C2)C[C@H]1C	ZINC001107022941	899616817	/nfs/dbraw/zinc/61/68/17/899616817.db2.gz	BTOSUZWCKIACNP-HYVNUMGLSA-N	1	0	361.490	1.036	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C[NH2+]CCC[C@@H](C)O)[C@H](C)C1	ZINC001107037201	900036624	/nfs/dbraw/zinc/03/66/24/900036624.db2.gz	WNUKRSHGVXGVBR-BZUAXINKSA-N	1	0	368.522	1.095	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C	ZINC000944300421	900098735	/nfs/dbraw/zinc/09/87/35/900098735.db2.gz	IBKQSKNIGUWUJI-NCOADZHNSA-N	1	0	351.491	1.415	20	30		FDEDRO
CC[C@]1(C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)CCNC1=O	ZINC001084422379	914417297	/nfs/dbraw/zinc/41/72/97/914417297.db2.gz	WTDDYJGZJUASHN-OPYAIIAOSA-N	1	0	366.465	1.507	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2C[C@@H](C[NH2+][C@@H](C)C(N)=O)[C@H](C)C2)cc1	ZINC001107049972	900175312	/nfs/dbraw/zinc/17/53/12/900175312.db2.gz	KBYYWMBGMMKIOP-HLLBOEOZSA-N	1	0	359.470	1.352	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(CF)cc2)C[C@H]1C	ZINC001107052232	900192583	/nfs/dbraw/zinc/19/25/83/900192583.db2.gz	GZHDDHHBPVGTLC-RVKKMQEKSA-N	1	0	359.445	1.592	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnc(CC)s2)C[C@H]1C	ZINC001107060545	900362438	/nfs/dbraw/zinc/36/24/38/900362438.db2.gz	GMGPINZHBYFUFW-HZSPNIEDSA-N	1	0	362.499	1.141	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1CCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000944618915	900383818	/nfs/dbraw/zinc/38/38/18/900383818.db2.gz	QQKNETMYRHAEPM-IXDOHACOSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CC(C)C)[C@H](C)C1	ZINC001107062211	900442379	/nfs/dbraw/zinc/44/23/79/900442379.db2.gz	CQZSVOYRWHMTCS-IXDOHACOSA-N	1	0	363.506	1.709	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nc(C(C)C)no2)[C@H](C)C1	ZINC001107063679	900449379	/nfs/dbraw/zinc/44/93/79/900449379.db2.gz	XIBDSKBNIIWFGN-RBSFLKMASA-N	1	0	350.463	1.968	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(c3ccc(C#N)cn3)CCO2)CC[N@@H+]1C	ZINC001063670382	901090606	/nfs/dbraw/zinc/09/06/06/901090606.db2.gz	IRVPUXBXRYXDMG-IXDOHACOSA-N	1	0	357.458	1.005	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCC1	ZINC001063849618	901166626	/nfs/dbraw/zinc/16/66/26/901166626.db2.gz	NJNJPQMUAVLWDG-OWCLPIDISA-N	1	0	351.491	1.319	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCC1	ZINC001064584633	901438659	/nfs/dbraw/zinc/43/86/59/901438659.db2.gz	WJEMJOWTWJYHHG-HZMVEIRTSA-N	1	0	363.502	1.463	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@@H]2O)CC1	ZINC001083908412	901564446	/nfs/dbraw/zinc/56/44/46/901564446.db2.gz	BJXNTZQFPWNGOY-UXHICEINSA-N	1	0	370.497	1.340	20	30		FDEDRO
C[NH+](C)C1CCN(C(=O)Cc2noc(-c3cccc(CC#N)c3)n2)CC1	ZINC000350926552	901701374	/nfs/dbraw/zinc/70/13/74/901701374.db2.gz	MMXKLEJORVAZQW-UHFFFAOYSA-N	1	0	353.426	1.898	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2CN(c3ccnc(C#N)n3)C[C@H]21	ZINC001090340925	901758493	/nfs/dbraw/zinc/75/84/93/901758493.db2.gz	ONPCKVRQKIPKPU-SOUVJXGZSA-N	1	0	360.437	1.065	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)n1	ZINC001090351221	901780519	/nfs/dbraw/zinc/78/05/19/901780519.db2.gz	BGCILUNVBMDSSO-GOEBONIOSA-N	1	0	368.485	1.290	20	30		FDEDRO
CC[C@@H](C(=O)N1CC[C@H]2CN(c3ccnc(C#N)n3)C[C@H]21)[NH+](CC)CC	ZINC001090355407	901826483	/nfs/dbraw/zinc/82/64/83/901826483.db2.gz	KWSMVAIQJBTHHY-HRCADAONSA-N	1	0	356.474	1.506	20	30		FDEDRO
CC[C@@H](C(=O)N1CC[C@H]2CN(c3cncc(C#N)n3)C[C@H]21)[NH+](CC)CC	ZINC001090355442	901826508	/nfs/dbraw/zinc/82/65/08/901826508.db2.gz	LOYKGAWVLUDPBB-BHYGNILZSA-N	1	0	356.474	1.506	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H]3CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]3C2)n1	ZINC001090355428	901826547	/nfs/dbraw/zinc/82/65/47/901826547.db2.gz	LHEUOQIJTFFMBK-DOTOQJQBSA-N	1	0	370.501	1.672	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cc(C)nn2C)C1	ZINC001079129736	901935699	/nfs/dbraw/zinc/93/56/99/901935699.db2.gz	DBGVEFPKXPTHPX-WOJBJXKFSA-N	1	0	368.481	1.992	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccncc2F)C1	ZINC001079131258	901942234	/nfs/dbraw/zinc/94/22/34/901942234.db2.gz	JFKBZMBFARGXAC-WOJBJXKFSA-N	1	0	367.424	1.932	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N(Cc2ccccc2)[C@@H]2C[N@@H+](CCCF)C[C@H]2O)c1	ZINC001079132654	901947222	/nfs/dbraw/zinc/94/72/22/901947222.db2.gz	ZHDYEWMNHWCUQM-RTBURBONSA-N	1	0	370.428	1.933	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCN2Cc3ccccc3C2)CC1	ZINC000671395113	901954504	/nfs/dbraw/zinc/95/45/04/901954504.db2.gz	XRERAEVUSNTLIC-UHFFFAOYSA-N	1	0	370.497	1.275	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C2CN(C(C)=O)C2)CC[C@H]1c1ccc(F)cc1	ZINC001079151160	901984288	/nfs/dbraw/zinc/98/42/88/901984288.db2.gz	CXJVIFUFLLPRJM-RBUKOAKNSA-N	1	0	357.429	1.211	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH2+]CCO)C2)[nH]1	ZINC001079151383	901985809	/nfs/dbraw/zinc/98/58/09/901985809.db2.gz	OMDWNHRYVALISI-FUHWJXTLSA-N	1	0	356.401	1.606	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]1CN(CC#N)C[C@H]1O	ZINC001079135816	902003460	/nfs/dbraw/zinc/00/34/60/902003460.db2.gz	ONNHUPXVRMIIHY-VAMGGRTRSA-N	1	0	370.497	1.458	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cn[nH]c(=O)c2)C1	ZINC001079136978	902009885	/nfs/dbraw/zinc/00/98/85/902009885.db2.gz	NMHAKGDZITYCBC-QZTJIDSGSA-N	1	0	368.437	1.446	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2OCCO[C@H]2C)C1	ZINC001079136992	902010524	/nfs/dbraw/zinc/01/05/24/902010524.db2.gz	NYLOKXAPALKMSL-NBYUQASBSA-N	1	0	374.481	1.440	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2c[nH]nc2CC)C1	ZINC001079138305	902020967	/nfs/dbraw/zinc/02/09/67/902020967.db2.gz	YHDSGIITXIMFAI-WOJBJXKFSA-N	1	0	366.465	1.683	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1c1cccc(F)c1	ZINC001079174689	902056203	/nfs/dbraw/zinc/05/62/03/902056203.db2.gz	CEYFGMKPVMDYPV-ARFHVFGLSA-N	1	0	365.836	1.741	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)CC[C@H]1c1ccc(F)cc1	ZINC001079156749	902074743	/nfs/dbraw/zinc/07/47/43/902074743.db2.gz	FZNKXPXUFDFBOH-JKSUJKDBSA-N	1	0	358.421	1.513	20	30		FDEDRO
C#CC[NH+]1CCC(N2C(=O)N[C@@H]3CN(C(=O)[C@@H]4C[C@H]4CC)CC[C@@H]32)CC1	ZINC001079165334	902093277	/nfs/dbraw/zinc/09/32/77/902093277.db2.gz	ORAGPDWUQPOZLX-DDBAPUKQSA-N	1	0	358.486	1.125	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)C2)C[C@H]1c1cccc(F)c1	ZINC001079205763	902109330	/nfs/dbraw/zinc/10/93/30/902109330.db2.gz	DHYQWMBCNPZDDR-JCGIZDLHSA-N	1	0	359.445	1.764	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]C[C@@H](C)O)C2)cn1	ZINC001079207235	902113895	/nfs/dbraw/zinc/11/38/95/902113895.db2.gz	VIMGJWNNLYYHGC-VOBQZIQPSA-N	1	0	367.424	1.781	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCN(C(C)=O)C2)C[C@H]1c1cccc(F)c1	ZINC001079207953	902114460	/nfs/dbraw/zinc/11/44/60/902114460.db2.gz	AUZQKAADRIPCMV-NZSAHSFTSA-N	1	0	359.445	1.764	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(C)nn(C)c2F)C[C@H]1c1cccc(F)c1	ZINC001079208160	902115601	/nfs/dbraw/zinc/11/56/01/902115601.db2.gz	LQQWEXGMKRWTAP-JKSUJKDBSA-N	1	0	358.392	1.838	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH]nc3C2)C[C@H]1c1cccc(F)c1	ZINC001079210857	902119178	/nfs/dbraw/zinc/11/91/78/902119178.db2.gz	FBLOUPBTPQEQRL-MOXGXCLJSA-N	1	0	366.440	1.871	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C[C@H]1c1cccc(F)c1	ZINC001079194828	902155827	/nfs/dbraw/zinc/15/58/27/902155827.db2.gz	OXQMJWHOOJMBNA-BBWFWOEESA-N	1	0	360.433	1.309	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3ncccc3O)[C@@H]3COC[C@@H]32)CC1	ZINC001079238242	902182053	/nfs/dbraw/zinc/18/20/53/902182053.db2.gz	PCPLCXMICXGISR-JKSUJKDBSA-N	1	0	357.454	1.916	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)Cc3cncnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079239453	902185648	/nfs/dbraw/zinc/18/56/48/902185648.db2.gz	VBQUDDWTSJWTQF-ZWKOTPCHSA-N	1	0	356.470	1.535	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCc2cn(C)nn2)C[C@H]1c1cccc(F)c1	ZINC001079212015	902196568	/nfs/dbraw/zinc/19/65/68/902196568.db2.gz	FFEIVNWSIPZSLW-ZWKOTPCHSA-N	1	0	357.433	1.657	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)CCn3cccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079224939	902231963	/nfs/dbraw/zinc/23/19/63/902231963.db2.gz	MFKCJRLJLLDXKB-ZWKOTPCHSA-N	1	0	358.486	1.789	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cc(CC)n[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079226161	902236740	/nfs/dbraw/zinc/23/67/40/902236740.db2.gz	NWNGFSBZBVNBGY-FUHWJXTLSA-N	1	0	356.470	1.548	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)CC3CCOCC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079228249	902241545	/nfs/dbraw/zinc/24/15/45/902241545.db2.gz	CQPPUTBCARMJLZ-RBUKOAKNSA-N	1	0	360.498	1.766	20	30		FDEDRO
Cc1cc(C[NH+]2CCC3(CN(C(=O)[C@@H](C)C#N)[C@@H]4COC[C@@H]43)CC2)on1	ZINC001079228280	902242504	/nfs/dbraw/zinc/24/25/04/902242504.db2.gz	FAKJYRVBOYFBRT-RRQGHBQHSA-N	1	0	358.442	1.582	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)Cc3cn(C)nc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079246258	902258816	/nfs/dbraw/zinc/25/88/16/902258816.db2.gz	YNXVLLYEVBTPCZ-RBUKOAKNSA-N	1	0	370.497	1.234	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ccc4nc[nH]c4n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079247111	902259634	/nfs/dbraw/zinc/25/96/34/902259634.db2.gz	MGIVQMMGLSEQNS-WMLDXEAASA-N	1	0	365.437	1.144	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3coc(OC)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079253737	902277208	/nfs/dbraw/zinc/27/72/08/902277208.db2.gz	DRLIZATZRZNRPJ-GOEBONIOSA-N	1	0	359.426	1.260	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)Cc3ncccc3F)[C@@H]3COC[C@@H]32)CC1	ZINC001079257857	902289278	/nfs/dbraw/zinc/28/92/78/902289278.db2.gz	AGJHABBSYMOEOJ-MAUKXSAKSA-N	1	0	357.429	1.336	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3ccn(C)c3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079259522	902294206	/nfs/dbraw/zinc/29/42/06/902294206.db2.gz	DMLLYRIICNISOS-RBUKOAKNSA-N	1	0	355.482	1.910	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)Cc3cccnc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079260995	902300905	/nfs/dbraw/zinc/30/09/05/902300905.db2.gz	ZTQMYRAREWCAJI-VQTJNVASSA-N	1	0	367.493	1.895	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)CCC3CCOCC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079263744	902306355	/nfs/dbraw/zinc/30/63/55/902306355.db2.gz	JDBKMYZTQJYCDR-RBUKOAKNSA-N	1	0	360.498	1.766	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cnn(C(F)F)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079267995	902317739	/nfs/dbraw/zinc/31/77/39/902317739.db2.gz	GRHODKDWEVZCKF-LSDHHAIUSA-N	1	0	364.396	1.464	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCc4n[nH]nc4C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079270519	902330203	/nfs/dbraw/zinc/33/02/03/902330203.db2.gz	WMJDXIXFPRVCSR-RVKKMQEKSA-N	1	0	371.485	1.035	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C)S(C)(=O)=O)C[C@H]1c1ccccc1F	ZINC001079299364	902343603	/nfs/dbraw/zinc/34/36/03/902343603.db2.gz	MDKCCBRDYAHYAY-JLJPHGGASA-N	1	0	368.474	1.719	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2cn(CC)nn2)C[C@H]1c1ccccc1F	ZINC001079303916	902388590	/nfs/dbraw/zinc/38/85/90/902388590.db2.gz	HGGTUYWWCDMFGO-FUHWJXTLSA-N	1	0	357.433	1.750	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H](c2ccccc2F)[C@H]([NH2+][C@H]2CCNC2=O)C1	ZINC001079295930	902400672	/nfs/dbraw/zinc/40/06/72/902400672.db2.gz	XULLIWOPXMQEKK-RYQLBKOJSA-N	1	0	355.413	1.012	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@H]1c1ccccc1F	ZINC001079299049	902407821	/nfs/dbraw/zinc/40/78/21/902407821.db2.gz	UMQLZCOWFBPGJM-WMLDXEAASA-N	1	0	356.401	1.303	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCN(C(=O)CC)C2)C[C@H]1c1ccccc1F	ZINC001079317829	902416158	/nfs/dbraw/zinc/41/61/58/902416158.db2.gz	QOUXBSPMCPCULW-VDZJLULYSA-N	1	0	371.456	1.601	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(CC)CCO2)C[C@H]1c1ccccc1F	ZINC001079321996	902424517	/nfs/dbraw/zinc/42/45/17/902424517.db2.gz	IGNPQBORPGIHKF-UHOSZYNNSA-N	1	0	361.461	1.616	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cncs2)C3)CC1	ZINC000995851355	902461011	/nfs/dbraw/zinc/46/10/11/902461011.db2.gz	XCQZNVIMZSXUTF-PMPSAXMXSA-N	1	0	372.494	1.350	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)CN3CCCC3=O)C2)cc1C#N	ZINC001079402035	902557229	/nfs/dbraw/zinc/55/72/29/902557229.db2.gz	WYBSGBLIZFZLIK-RHSMWYFYSA-N	1	0	370.453	1.126	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H](O)c2ccccc2F)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC001079581091	902832967	/nfs/dbraw/zinc/83/29/67/902832967.db2.gz	DHBIDNKGSAGTMV-PJSAGSTRSA-N	1	0	356.401	1.809	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC001079581352	902835366	/nfs/dbraw/zinc/83/53/66/902835366.db2.gz	LZKZNYNYPAZJLA-NXOUGTEYSA-N	1	0	356.401	1.809	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)c1cncnc1	ZINC001079608257	902859956	/nfs/dbraw/zinc/85/99/56/902859956.db2.gz	DIDQTZPQZAHNDM-RDTXWAMCSA-N	1	0	351.410	1.629	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)c1ncccc1O	ZINC001079609702	902862840	/nfs/dbraw/zinc/86/28/40/902862840.db2.gz	SQRVXXRKERDCKI-RHSMWYFYSA-N	1	0	366.421	1.940	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(C#N)c[nH]2)C3)C1	ZINC000996009717	902891328	/nfs/dbraw/zinc/89/13/28/902891328.db2.gz	YIIRDKLOVPGHRD-VYDXJSESSA-N	1	0	369.469	1.480	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H]2COc3ccccc3O2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC001079601091	902898898	/nfs/dbraw/zinc/89/88/98/902898898.db2.gz	IDYLEJGGAYZSGT-KBRIMQKVSA-N	1	0	366.421	1.776	20	30		FDEDRO
C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C#N)[nH]1)C2)C1CCC1	ZINC000996087774	903052348	/nfs/dbraw/zinc/05/23/48/903052348.db2.gz	BRXICJOCJXFAMB-PVAVHDDUSA-N	1	0	355.442	1.232	20	30		FDEDRO
C[C@H](CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(C#N)c1)C2)n1ccnc1	ZINC000996123591	903154661	/nfs/dbraw/zinc/15/46/61/903154661.db2.gz	URQVNTCOZIJORD-VZEFYGNVSA-N	1	0	366.425	1.596	20	30		FDEDRO
CCN1C[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)CC1=O	ZINC001079798171	903360378	/nfs/dbraw/zinc/36/03/78/903360378.db2.gz	KHHIWMKPBKRULB-ZTFGCOKTSA-N	1	0	354.454	1.363	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)Cn1cc(C2CC2)nn1	ZINC001079846683	903507076	/nfs/dbraw/zinc/50/70/76/903507076.db2.gz	YHSMKSJZEZOQHD-RDTXWAMCSA-N	1	0	364.453	1.664	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1C	ZINC001079855845	903523121	/nfs/dbraw/zinc/52/31/21/903523121.db2.gz	UUFLRCMQRHNEGA-RHSMWYFYSA-N	1	0	356.474	1.633	20	30		FDEDRO
CCN(C(=O)CC#Cc1ccccc1)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001079871885	903582339	/nfs/dbraw/zinc/58/23/39/903582339.db2.gz	QSLDSJKGYYEVRC-YLJYHZDGSA-N	1	0	367.493	1.828	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@H]1C	ZINC001079878077	903600994	/nfs/dbraw/zinc/60/09/94/903600994.db2.gz	FFNKNDHXEQZNBG-RSPOEFSDSA-N	1	0	355.482	1.254	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(CC)C1CN(C(=O)CCC[NH+](C)C)C1	ZINC001079850804	903627079	/nfs/dbraw/zinc/62/70/79/903627079.db2.gz	YFLUPRFFMGLPBB-HKUYNNGSSA-N	1	0	365.518	1.759	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(F)cc3)CCC[C@@H]12	ZINC001107252876	904139725	/nfs/dbraw/zinc/13/97/25/904139725.db2.gz	VBYGNGSYKXZNLW-YLJYHZDGSA-N	1	0	357.429	1.550	20	30		FDEDRO
CC(=O)N[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccc(C#N)c1)CC2	ZINC001107267002	904229753	/nfs/dbraw/zinc/22/97/53/904229753.db2.gz	YBPCLZYONGMMGO-QFIXIFRTSA-N	1	0	368.481	1.944	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)OCCC=C)CCC[C@@H]12	ZINC001107318202	904443228	/nfs/dbraw/zinc/44/32/28/904443228.db2.gz	JYGWTRIOPLVCSA-SQGPQFPESA-N	1	0	361.486	1.078	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H](O)CC(F)(F)F)CC2	ZINC001107330773	904463266	/nfs/dbraw/zinc/46/32/66/904463266.db2.gz	NMBKVYKIZIGLKX-IIAWOOMASA-N	1	0	364.408	1.863	20	30		FDEDRO
C=CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(=O)NCC)CC2	ZINC001107326623	904480034	/nfs/dbraw/zinc/48/00/34/904480034.db2.gz	CJSQHRSVWXMICT-RDTXWAMCSA-N	1	0	350.463	1.159	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CC3=CCCCC3)CCC[C@@H]12	ZINC001107326841	904482442	/nfs/dbraw/zinc/48/24/42/904482442.db2.gz	JUQCZTHZAQSUGT-YLJYHZDGSA-N	1	0	358.486	1.877	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCc1ccco1)CC2	ZINC001107336329	904506024	/nfs/dbraw/zinc/50/60/24/904506024.db2.gz	LIBVDHTVRCQFQY-ZSZQSSIHSA-N	1	0	358.442	1.416	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)/C(C)=C/C)CCC[C@@H]12	ZINC001107356051	904577313	/nfs/dbraw/zinc/57/73/13/904577313.db2.gz	RSPMJMZRNGAXMG-UPCCBTDXSA-N	1	0	362.474	1.325	20	30		FDEDRO
CO[C@@H]1C[N@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC001081507457	904719551	/nfs/dbraw/zinc/71/95/51/904719551.db2.gz	XIRMCWLOVYGYOB-KCPJHIHWSA-N	1	0	352.385	1.751	20	30		FDEDRO
C[C@@H](NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C#CC3CC3)CCC[C@@H]12)C1CC1	ZINC001107399702	904729724	/nfs/dbraw/zinc/72/97/24/904729724.db2.gz	FPIOINJLKQEERG-FQELHTAISA-N	1	0	357.498	1.675	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cc3n(n1)CCC3)CC2	ZINC001107402536	904739728	/nfs/dbraw/zinc/73/97/28/904739728.db2.gz	OAKXFWRPIBRGBC-LDQXTDLNSA-N	1	0	370.497	1.728	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1snnc1C)CC2	ZINC001107403123	904741889	/nfs/dbraw/zinc/74/18/89/904741889.db2.gz	WTMQCMOZLVDHKN-YXJHDRRASA-N	1	0	362.499	1.746	20	30		FDEDRO
C=CCCOCCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC)CC2	ZINC001107404908	904748843	/nfs/dbraw/zinc/74/88/43/904748843.db2.gz	VDUOEBYMQBEAJL-YLJYHZDGSA-N	1	0	365.518	1.856	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc4n[nH]nc43)CCC[C@@H]12	ZINC001107417866	904790804	/nfs/dbraw/zinc/79/08/04/904790804.db2.gz	RPNYOXVSYBIDFV-YLJYHZDGSA-N	1	0	367.453	1.582	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(CC)C(=O)CCCC[NH+](C)C)C1	ZINC001080182575	904846241	/nfs/dbraw/zinc/84/62/41/904846241.db2.gz	QRVIXSQPCDBZBO-HKUYNNGSSA-N	1	0	365.518	1.759	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)CCNC(=O)COC)CCC[C@@H]12	ZINC001107426421	904848782	/nfs/dbraw/zinc/84/87/82/904848782.db2.gz	OIVKCTNWMKOULE-VQIMIIECSA-N	1	0	351.491	1.466	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[N@@H+](C)CCC)C1	ZINC001080194295	904867914	/nfs/dbraw/zinc/86/79/14/904867914.db2.gz	XTKRDRDPNVRYIM-SJORKVTESA-N	1	0	351.491	1.369	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C(C)C	ZINC001081658939	904890101	/nfs/dbraw/zinc/89/01/01/904890101.db2.gz	GKEBWPNSXNLNSY-HSALFYBXSA-N	1	0	370.497	1.746	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3cnn4ncccc34)CCC[C@@H]12	ZINC001107436776	904905664	/nfs/dbraw/zinc/90/56/64/904905664.db2.gz	PFYDCIRTTKZBQF-UYAOXDASSA-N	1	0	369.469	1.906	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)CCNC(=O)c3ccsc3)CCC[C@@H]12	ZINC001107442951	904939838	/nfs/dbraw/zinc/93/98/38/904939838.db2.gz	SUWFRYNZDHUZAD-VQIMIIECSA-N	1	0	359.495	1.862	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)Cc3cncc(C)c3)C2)C1=O	ZINC001080202748	904943424	/nfs/dbraw/zinc/94/34/24/904943424.db2.gz	OKXXPMOBNNQAOO-NXHRZFHOSA-N	1	0	356.470	1.156	20	30		FDEDRO
N#Cc1ccc(NC(=O)CONC(=[NH2+])[C@H]2COc3ccccc3O2)cc1	ZINC000764568195	905032734	/nfs/dbraw/zinc/03/27/34/905032734.db2.gz	DUMPCLAREUHZCD-MRXNPFEDSA-N	1	0	352.350	1.835	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1OC	ZINC001081766784	905052369	/nfs/dbraw/zinc/05/23/69/905052369.db2.gz	CYSUNPIVBSFCHK-QHAWAJNXSA-N	1	0	369.509	1.728	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3ccncc3)CCC[C@@H]12	ZINC001107460855	905061850	/nfs/dbraw/zinc/06/18/50/905061850.db2.gz	IPKCERDFZLPZJW-YLJYHZDGSA-N	1	0	369.469	1.015	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3(COC)CCC3)CCC[C@@H]12	ZINC001107476930	905143016	/nfs/dbraw/zinc/14/30/16/905143016.db2.gz	VOWQRHUOEHUNIC-VQIMIIECSA-N	1	0	363.502	1.466	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CC(C)(C)COC)CCC[C@@H]12	ZINC001107487526	905167012	/nfs/dbraw/zinc/16/70/12/905167012.db2.gz	XABNXTOSRMWJGC-OXQOHEQNSA-N	1	0	365.518	1.712	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cccc(-n3ccnc3)n2)[C@H](OC)C1	ZINC001081880094	905192794	/nfs/dbraw/zinc/19/27/94/905192794.db2.gz	JSKSXZMDAWAJRB-IAGOWNOFSA-N	1	0	355.442	1.663	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C#C)cc3)CCC[C@@H]12	ZINC001107494520	905193893	/nfs/dbraw/zinc/19/38/93/905193893.db2.gz	MLKINIZJCWTZAJ-DENIHFKCSA-N	1	0	363.461	1.392	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3cn(C)nc3OC)CCC[C@@H]12	ZINC001107495034	905197513	/nfs/dbraw/zinc/19/75/13/905197513.db2.gz	HCUKLSKELICCRV-VQIMIIECSA-N	1	0	362.474	1.606	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[C@@H]3C)CCC[C@@H]12	ZINC001107500640	905239803	/nfs/dbraw/zinc/23/98/03/905239803.db2.gz	LNLRUYXXJPUKLH-XTDOFWJNSA-N	1	0	362.474	1.015	20	30		FDEDRO
CCCc1[nH]ccc1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107514854	905309622	/nfs/dbraw/zinc/30/96/22/905309622.db2.gz	ZBRWPXLTYJYGFF-YLJYHZDGSA-N	1	0	371.485	1.581	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(=O)NC)CC2	ZINC001107514607	905309994	/nfs/dbraw/zinc/30/99/94/905309994.db2.gz	OBMXAJWNBLJKBH-SPYBWZPUSA-N	1	0	364.490	1.405	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc[nH]c3C3CC3)CCC[C@@H]12	ZINC001107519243	905333097	/nfs/dbraw/zinc/33/30/97/905333097.db2.gz	AWWKTEUULJYNQQ-OXQOHEQNSA-N	1	0	369.469	1.506	20	30		FDEDRO
CO[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2	ZINC001081894897	905339522	/nfs/dbraw/zinc/33/95/22/905339522.db2.gz	HPZBYJYXORLBBL-WOJBJXKFSA-N	1	0	367.493	1.482	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(=O)NC)CC2	ZINC001107531874	905394927	/nfs/dbraw/zinc/39/49/27/905394927.db2.gz	GSEKLSJROHTXFM-MDASCCDHSA-N	1	0	364.490	1.405	20	30		FDEDRO
C=CCCC1(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NC(N)=O)CC3)CC1	ZINC001107536659	905421487	/nfs/dbraw/zinc/42/14/87/905421487.db2.gz	UINWQRUUYDIOFD-AUUYWEPGSA-N	1	0	362.474	1.289	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(Cl)[nH]3)CCC[C@@H]12	ZINC001107537050	905431090	/nfs/dbraw/zinc/43/10/90/905431090.db2.gz	OUQYVFGUFKEJNY-RDTXWAMCSA-N	1	0	364.877	1.945	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2COCCN2CC2CCC2)[C@H](OC)C1	ZINC001081985073	905473964	/nfs/dbraw/zinc/47/39/64/905473964.db2.gz	COYYQUQZJJUFON-GUDVDZBRSA-N	1	0	365.518	1.269	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cnn3c2nc(C)cc3C)[C@H](OC)C1	ZINC001082012193	905553757	/nfs/dbraw/zinc/55/37/57/905553757.db2.gz	YIADXRMWKJZRMB-IAGOWNOFSA-N	1	0	357.458	1.741	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3cncn3C)CCC[C@@H]12	ZINC001107552680	905561440	/nfs/dbraw/zinc/56/14/40/905561440.db2.gz	RGJYARVDMLNMHT-VGUOSERISA-N	1	0	370.497	1.534	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3ccco3)CCC[C@@H]12	ZINC001107555040	905571790	/nfs/dbraw/zinc/57/17/90/905571790.db2.gz	RDIMMFRARIDMQZ-MXHNKVEKSA-N	1	0	370.453	1.384	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)Cn3nccc3C)C2)cc1C#N	ZINC001080532872	905629077	/nfs/dbraw/zinc/62/90/77/905629077.db2.gz	BGRNYCKJZHQRRF-RDTXWAMCSA-N	1	0	367.453	1.709	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(OC)o3)CCC[C@@H]12	ZINC001107582958	905756883	/nfs/dbraw/zinc/75/68/83/905756883.db2.gz	ICNFNIHDEXQGJW-DNVCBOLYSA-N	1	0	361.442	1.565	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1ccc2nncn2c1	ZINC001080611408	905787083	/nfs/dbraw/zinc/78/70/83/905787083.db2.gz	HEUVBBIGBWYVEO-RDTXWAMCSA-N	1	0	360.421	1.851	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@]3(CNC(=O)Cc4ncc[nH]4)CCC[C@@H]23)C1=O	ZINC001107588951	905798657	/nfs/dbraw/zinc/79/86/57/905798657.db2.gz	WCABYMHXXXUWBK-JXXFODFXSA-N	1	0	371.485	1.100	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@]3(C)CCCOC3)CCC[C@@H]12	ZINC001107593442	905874883	/nfs/dbraw/zinc/87/48/83/905874883.db2.gz	MEGUTVRIGQNJDC-NSISKUIASA-N	1	0	363.502	1.466	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCc3cnccn3)CCC[C@@H]12	ZINC001107599436	905903910	/nfs/dbraw/zinc/90/39/10/905903910.db2.gz	FZFYTHPFGQUAEC-UYAOXDASSA-N	1	0	356.470	1.420	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C	ZINC001082133505	905929492	/nfs/dbraw/zinc/92/94/92/905929492.db2.gz	FPKJSZLCFMSDJQ-ATZDWAIDSA-N	1	0	356.470	1.358	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1	ZINC001082134766	905939359	/nfs/dbraw/zinc/93/93/59/905939359.db2.gz	BVIHCWUQIRSQBG-KFKAGJAMSA-N	1	0	356.470	1.215	20	30		FDEDRO
C=C(Br)CN1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H](OC)C1	ZINC001082135113	905941219	/nfs/dbraw/zinc/94/12/19/905941219.db2.gz	PEBCPTSJLSHSOL-IACUBPJLSA-N	1	0	360.296	1.052	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3conc3COC)CCC[C@@H]12	ZINC001107605992	905950663	/nfs/dbraw/zinc/95/06/63/905950663.db2.gz	GWEHVNZRLVPNAZ-IEBWSBKVSA-N	1	0	361.442	1.445	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(COC)cc2)C[C@H]1OC	ZINC001082146371	905982631	/nfs/dbraw/zinc/98/26/31/905982631.db2.gz	BFFDQQAVBRGWJB-YSTOQKLRSA-N	1	0	374.481	1.740	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccccc2F)C[C@H]1OC	ZINC001082149668	905993040	/nfs/dbraw/zinc/99/30/40/905993040.db2.gz	HTRNEUDPCCACLQ-OQIJWPOYSA-N	1	0	362.445	1.775	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@]3(C)CCS(=O)(=O)N3)CCC[C@@H]12	ZINC001107620294	906053736	/nfs/dbraw/zinc/05/37/36/906053736.db2.gz	IICPUCFTBWKFQA-HYVNUMGLSA-N	1	0	355.504	1.005	20	30		FDEDRO
O=C(Cn1cncn1)NC[C@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2	ZINC001107627305	906088941	/nfs/dbraw/zinc/08/89/41/906088941.db2.gz	OVGLIYPXUHPNBZ-TZIWHRDSSA-N	1	0	363.465	1.691	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)CS(=O)(=O)NC(C)(C)C)CCC[C@@H]12	ZINC001107637211	906141857	/nfs/dbraw/zinc/14/18/57/906141857.db2.gz	ZYCCRNCJXAXGSN-CRAIPNDOSA-N	1	0	371.547	1.641	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3COCCN3C(C)=O)CCC[C@@H]12	ZINC001107637281	906143691	/nfs/dbraw/zinc/14/36/91/906143691.db2.gz	FHCIPOZYAGTFDQ-QWFCFKBJSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CCCC(=O)NC1(CO)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1	ZINC001080768271	906190694	/nfs/dbraw/zinc/19/06/94/906190694.db2.gz	QKNAWSCIQZMSSG-JKSUJKDBSA-N	1	0	351.491	1.153	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CN(CC)CCO3)CCC[C@@H]12	ZINC001107639173	906191814	/nfs/dbraw/zinc/19/18/14/906191814.db2.gz	ZHSMVTNXIQRPRE-NLWGTHIKSA-N	1	0	365.518	1.271	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)NCc3ccco3)CCC[C@@H]12	ZINC001107643504	906220152	/nfs/dbraw/zinc/22/01/52/906220152.db2.gz	MGFYTJSSAKTTIU-VQIMIIECSA-N	1	0	360.458	1.626	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCOC)CC2	ZINC001107651365	906229278	/nfs/dbraw/zinc/22/92/78/906229278.db2.gz	YTOPBEPZAVDOTQ-YQVWRLOYSA-N	1	0	354.491	1.601	20	30		FDEDRO
C[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001080779515	906245962	/nfs/dbraw/zinc/24/59/62/906245962.db2.gz	RAAKVYGPDXCXOV-IDHHARJASA-N	1	0	358.461	1.976	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCNC(=O)[C@@H]3CCCO3)CCC[C@@H]12	ZINC001107654954	906255326	/nfs/dbraw/zinc/25/53/26/906255326.db2.gz	MJICIXGYQONQJW-SQGPQFPESA-N	1	0	361.486	1.056	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2sc(N(C)C)nc2C)[C@H](OC)C1	ZINC001082208190	906267622	/nfs/dbraw/zinc/26/76/22/906267622.db2.gz	BIKVVQLDFOWVGG-ZIAGYGMSSA-N	1	0	352.504	1.913	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)c3cnn(C)c3)CCC[C@@H]12	ZINC001107662562	906291298	/nfs/dbraw/zinc/29/12/98/906291298.db2.gz	ANOYCXSXBLCYNW-ILZDJORESA-N	1	0	358.486	1.534	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1C	ZINC001080850293	906443403	/nfs/dbraw/zinc/44/34/03/906443403.db2.gz	HGHFJOVJUOZSJV-VQIMIIECSA-N	1	0	353.466	1.269	20	30		FDEDRO
Cc1nn(C)c(F)c1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C	ZINC001080863639	906488683	/nfs/dbraw/zinc/48/86/83/906488683.db2.gz	WYHQHQQECVZEQJ-MLGOLLRUSA-N	1	0	355.417	1.990	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CS(=O)(=O)N(CC)CC)C2	ZINC001112538982	906502974	/nfs/dbraw/zinc/50/29/74/906502974.db2.gz	DROSORABYHGMFA-WMZOPIPTSA-N	1	0	371.547	1.452	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1CCCC(=O)N1C	ZINC001080869516	906522443	/nfs/dbraw/zinc/52/24/43/906522443.db2.gz	NNUBRBBSLSBEFK-OLMNPRSZSA-N	1	0	354.454	1.506	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CCC(CO)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1	ZINC001080877688	906565568	/nfs/dbraw/zinc/56/55/68/906565568.db2.gz	ISKNQBVHOGABMW-JKSUJKDBSA-N	1	0	365.518	1.399	20	30		FDEDRO
CC#CC[NH2+][C@H]1CCN(c2cccc(CNC(=O)[C@@H]3CCO[C@H]3CC)n2)C1	ZINC001127838633	906571762	/nfs/dbraw/zinc/57/17/62/906571762.db2.gz	BJBSOTYLDFFSSB-OTWHNJEPSA-N	1	0	370.497	1.705	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C1CCN(C(N)=O)CC1	ZINC001080916770	906660579	/nfs/dbraw/zinc/66/05/79/906660579.db2.gz	FZRQFCQKRVFQAZ-RDTXWAMCSA-N	1	0	369.469	1.285	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@@H]1C[N@@H+](C[C@H](CC)OC)C[C@H]1OC	ZINC001082317384	906757948	/nfs/dbraw/zinc/75/79/48/906757948.db2.gz	CWFBZUUWZNHMAI-ZMSDIMECSA-N	1	0	363.458	1.500	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(S(C)(=O)=O)o1)C2	ZINC001112539199	906773710	/nfs/dbraw/zinc/77/37/10/906773710.db2.gz	PBQAWEQOCJDWTK-KSSFIOAISA-N	1	0	364.467	1.538	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CN2Cc3ccccc3C2=O)[C@H](OC)C1	ZINC001082333129	906823827	/nfs/dbraw/zinc/82/38/27/906823827.db2.gz	PTIYZVMMPSOVOI-QZTJIDSGSA-N	1	0	357.454	1.424	20	30		FDEDRO
CC#CC[NH2+][C@H]1CCN(c2cccc(CNC(=O)[C@H]3CC[C@@H](C)O3)n2)C1	ZINC001127852714	906910898	/nfs/dbraw/zinc/91/08/98/906910898.db2.gz	VJORSIUFMNBMRA-BPQIPLTHSA-N	1	0	356.470	1.457	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(C(N)=O)cc2)CC1	ZINC000997012318	906927825	/nfs/dbraw/zinc/92/78/25/906927825.db2.gz	QCDRYZHTABARNV-MSOLQXFVSA-N	1	0	357.454	1.457	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2csc(COC)n2)CC1	ZINC000997012411	906928991	/nfs/dbraw/zinc/92/89/91/906928991.db2.gz	TUTNJIZQQPSZDZ-CVEARBPZSA-N	1	0	365.499	1.961	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCc2cccc(C)c2)C[C@H]1O	ZINC001077698130	906939539	/nfs/dbraw/zinc/93/95/39/906939539.db2.gz	UREBJQNTAHUOCM-WTGUMLROSA-N	1	0	358.482	1.680	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]2C)cc1	ZINC001081011344	906942986	/nfs/dbraw/zinc/94/29/86/906942986.db2.gz	VZSKTUWPNJTOLJ-LZQZEXGQSA-N	1	0	371.481	1.509	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccnc(C3CC3)n1)C2	ZINC001112539416	907079554	/nfs/dbraw/zinc/07/95/54/907079554.db2.gz	ZHULNXBCOKSGSC-UWJYYQICSA-N	1	0	368.481	1.836	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1	ZINC000765425397	907080519	/nfs/dbraw/zinc/08/05/19/907080519.db2.gz	CKZLYJXMGUVLDY-INIZCTEOSA-N	1	0	367.490	1.779	20	30		FDEDRO
CC[C@H]([NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1c1ccccc1)C(N)=O	ZINC001081106717	907198283	/nfs/dbraw/zinc/19/82/83/907198283.db2.gz	WCDMSPOXOGMTFX-XYJFISCASA-N	1	0	365.437	1.348	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCCN2CCCC)C[C@H]1c1ccccc1	ZINC001081151222	907263826	/nfs/dbraw/zinc/26/38/26/907263826.db2.gz	AWBVPPYJGPVANP-HBMCJLEFSA-N	1	0	369.509	1.705	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](OC)c2cnn(C)c2)C[C@H]1c1ccccc1	ZINC001081151614	907265782	/nfs/dbraw/zinc/26/57/82/907265782.db2.gz	NUMKZWNYYSGRTK-OTWHNJEPSA-N	1	0	354.454	1.878	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1c1ccccc1	ZINC001081180036	907353990	/nfs/dbraw/zinc/35/39/90/907353990.db2.gz	XDLVYXLTSQPVBT-XWTMOSNGSA-N	1	0	357.454	1.180	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN2C(=O)CCC)[C@H](OC)C1	ZINC001082381712	907357611	/nfs/dbraw/zinc/35/76/11/907357611.db2.gz	XUNFGSUDHYBGKZ-IXDOHACOSA-N	1	0	351.491	1.559	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C)C2)C[C@H]1c1ccccc1	ZINC001081193121	907371162	/nfs/dbraw/zinc/37/11/62/907371162.db2.gz	JVOBWFZXPOHFIU-YTQUADARSA-N	1	0	353.466	1.462	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cccc(-n3ccnn3)c2)[C@H](OC)C1	ZINC001082397904	907514977	/nfs/dbraw/zinc/51/49/77/907514977.db2.gz	YGXZWFJIXATYSL-QZTJIDSGSA-N	1	0	355.442	1.663	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)CC1	ZINC000997141729	907665163	/nfs/dbraw/zinc/66/51/63/907665163.db2.gz	KESFLSPYCYOGAG-KBAYOESNSA-N	1	0	358.486	1.738	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)C[C@H]2CCOC2)C[C@H]1C	ZINC001082455982	907853301	/nfs/dbraw/zinc/85/33/01/907853301.db2.gz	KYHCLHPECMVFCP-QGPMSJSTSA-N	1	0	357.454	1.930	20	30		FDEDRO
COc1ccc(C#N)cc1CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001032410265	907879397	/nfs/dbraw/zinc/87/93/97/907879397.db2.gz	AUCBGOHGPRMDPL-GRGSLBFTSA-N	1	0	368.481	1.692	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1[NH2+]C[C@@H](O)c1ccccc1F	ZINC001082465025	907900473	/nfs/dbraw/zinc/90/04/73/907900473.db2.gz	YZVKEWNKNVFVPH-NXOUGTEYSA-N	1	0	356.401	1.809	20	30		FDEDRO
CCn1ncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3F)C2)n1	ZINC001082500603	908087561	/nfs/dbraw/zinc/08/75/61/908087561.db2.gz	DQHPGMUDZZYZAA-SJKOYZFVSA-N	1	0	356.405	1.559	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]Cc1cnc(C(F)(F)F)nc1	ZINC001082504762	908115788	/nfs/dbraw/zinc/11/57/88/908115788.db2.gz	FLYQQPFSPTYMGN-BXUZGUMPSA-N	1	0	352.360	1.845	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]Cc1c(Br)cnn1C	ZINC001082504837	908117877	/nfs/dbraw/zinc/11/78/77/908117877.db2.gz	LRXASDMRFSMUQE-BXUZGUMPSA-N	1	0	365.275	1.533	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC000997300947	908151500	/nfs/dbraw/zinc/15/15/00/908151500.db2.gz	MWWYKJBPJIOPGQ-OIISXLGYSA-N	1	0	351.491	1.415	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2nocc2C)CC1	ZINC000997356831	908312404	/nfs/dbraw/zinc/31/24/04/908312404.db2.gz	GEAXFSVOEINKSA-IKGGRYGDSA-N	1	0	370.453	1.190	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CCCc3cccc(C)c3)C[C@H]2O)nn1	ZINC001077802305	908321111	/nfs/dbraw/zinc/32/11/11/908321111.db2.gz	AXHLTLFLHYMEEX-IEBWSBKVSA-N	1	0	369.469	1.180	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cn(C)nc3C3CC3)C[C@H]2C)C1=O	ZINC001082536300	908323704	/nfs/dbraw/zinc/32/37/04/908323704.db2.gz	CFPWHVBNHIYLBO-XOKHGSTOSA-N	1	0	371.485	1.135	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2ccc3n[nH]nc3n2)C[C@H]1C	ZINC001082545765	908450204	/nfs/dbraw/zinc/45/02/04/908450204.db2.gz	AQUNJHBZAHDRKK-PRHODGIISA-N	1	0	365.235	1.312	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2c[nH]cn2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082549567	908487463	/nfs/dbraw/zinc/48/74/63/908487463.db2.gz	JOTMOAQILVPHAW-FZKQIMNGSA-N	1	0	355.417	1.990	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3conc3C(C)C)C[C@H]2C)C1=O	ZINC001082555302	908554855	/nfs/dbraw/zinc/55/48/55/908554855.db2.gz	ADVRBBITPFMUAO-VNQPRFMTSA-N	1	0	360.458	1.635	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(COC)cc2)C1	ZINC001082568022	908706200	/nfs/dbraw/zinc/70/62/00/908706200.db2.gz	SOTCVQAFAUCDHX-UIFIKXQLSA-N	1	0	369.509	1.867	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc3c(c2)COC3)C1	ZINC001082568137	908707095	/nfs/dbraw/zinc/70/70/95/908707095.db2.gz	ZVQYVJHOEXTAPX-HBGVWJBISA-N	1	0	367.493	1.751	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082578914	908767753	/nfs/dbraw/zinc/76/77/53/908767753.db2.gz	XUJNVFQBZRGXRY-CXAGYDPISA-N	1	0	367.409	1.335	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCN(C)C2=O)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082581514	908787451	/nfs/dbraw/zinc/78/74/51/908787451.db2.gz	PZLANJIKSHKLDN-FHLIZLRMSA-N	1	0	354.454	1.363	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCNC(=O)C2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082589686	908843066	/nfs/dbraw/zinc/84/30/66/908843066.db2.gz	LFBRFBUWBYVJGP-WIBUTAKZSA-N	1	0	354.454	1.411	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc(C)nnc3CC)C[C@H]2C)C1=O	ZINC001082602495	908975215	/nfs/dbraw/zinc/97/52/15/908975215.db2.gz	GVKHYVWEPBYFGC-FSPWUOQZSA-N	1	0	371.485	1.184	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccc(C)c(F)c3)C[C@H]2C)C1=O	ZINC001082628727	909161395	/nfs/dbraw/zinc/16/13/95/909161395.db2.gz	PTWLYSXVJWUIJT-ZTFGCOKTSA-N	1	0	359.445	1.971	20	30		FDEDRO
Cc1cncn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC001082646399	909313800	/nfs/dbraw/zinc/31/38/00/909313800.db2.gz	RZPIDTVTWOZVHO-FZKQIMNGSA-N	1	0	355.417	1.839	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccnn2C)C[C@H]1C	ZINC001082656870	909416597	/nfs/dbraw/zinc/41/65/97/909416597.db2.gz	YGOWTNQOXOUYKD-FMKGYKFTSA-N	1	0	367.291	1.869	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082658268	909424684	/nfs/dbraw/zinc/42/46/84/909424684.db2.gz	UVZNJZTVWSKDJB-RBUQIHAASA-N	1	0	369.465	1.546	20	30		FDEDRO
CO[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C#N)C1)c1cnn(C)c1	ZINC001082667051	909466259	/nfs/dbraw/zinc/46/62/59/909466259.db2.gz	XQTGMYHGZLQJGC-NIKGAXFTSA-N	1	0	367.453	1.616	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCn3nc(C)nc3C)C2)cc1	ZINC001082678264	909560137	/nfs/dbraw/zinc/56/01/37/909560137.db2.gz	JOKBWUPVZNSAMX-AUUYWEPGSA-N	1	0	351.454	1.627	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCOC[C@@H]2C2CC2)C1	ZINC001082685883	909573436	/nfs/dbraw/zinc/57/34/36/909573436.db2.gz	VAVJXDWSUJIKFD-DJIMGWMZSA-N	1	0	363.502	1.273	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3nn[nH]c32)C[C@H]1C	ZINC001082710045	909758751	/nfs/dbraw/zinc/75/87/51/909758751.db2.gz	CTCORWALKJUDLO-IRUJWGPZSA-N	1	0	368.279	1.570	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCc3nn[nH]c32)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082710594	909766666	/nfs/dbraw/zinc/76/66/66/909766666.db2.gz	ZKPPINDKYBBHNG-RPVQJOFSSA-N	1	0	364.453	1.733	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)CC1	ZINC001082722942	909833111	/nfs/dbraw/zinc/83/31/11/909833111.db2.gz	PEVWQCQSWPJFLF-CRAIPNDOSA-N	1	0	368.543	1.994	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3occc3Cl)C[C@H]2C)C1=O	ZINC001082724395	909839039	/nfs/dbraw/zinc/83/90/39/909839039.db2.gz	FIQFRGTZQLNMPG-MRVWCRGKSA-N	1	0	351.834	1.770	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)cc1	ZINC000843069275	909877979	/nfs/dbraw/zinc/87/79/79/909877979.db2.gz	OZLMPJGAOFJQOQ-NVXWUHKLSA-N	1	0	356.378	1.350	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ncccc2NC(C)=O)[C@H](OC)C1	ZINC001212381622	909966571	/nfs/dbraw/zinc/96/65/71/909966571.db2.gz	AZJVFQCYRTWHFZ-IAOVAPTHSA-N	1	0	360.458	1.824	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082746169	909975992	/nfs/dbraw/zinc/97/59/92/909975992.db2.gz	NTNNDSCPZANVQJ-PIGZYNQJSA-N	1	0	369.400	1.375	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2-c2ccccn2)[C@H](OC)C1	ZINC001212385820	910123611	/nfs/dbraw/zinc/12/36/11/910123611.db2.gz	UAFOCFDSOPEYFZ-IAGOWNOFSA-N	1	0	371.441	1.103	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C)C2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082788241	910170353	/nfs/dbraw/zinc/17/03/53/910170353.db2.gz	DDDLVLFSOJFRFM-FRQCXROJSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(F)cn3)C2)nn1	ZINC001082795933	910182443	/nfs/dbraw/zinc/18/24/43/910182443.db2.gz	MAGIQBLBFTVHRH-CZUORRHYSA-N	1	0	358.421	1.639	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3F)C2)nn1	ZINC001082791145	910191846	/nfs/dbraw/zinc/19/18/46/910191846.db2.gz	CSMQGPRFKMWQKI-CXAGYDPISA-N	1	0	368.416	1.725	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCc3scnc3C)C2)nn1	ZINC001082791377	910193499	/nfs/dbraw/zinc/19/34/99/910193499.db2.gz	OAUAWYMRPSLTBA-TZMCWYRMSA-N	1	0	360.487	1.522	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2nnn(C)c2C(F)(F)F)C[C@H]1C	ZINC001082791793	910195207	/nfs/dbraw/zinc/19/52/07/910195207.db2.gz	BTJFLYMEHATPTP-VXNVDRBHSA-N	1	0	351.760	1.637	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCc3ccc(OC)cc3)C2)nn1	ZINC001082791769	910195358	/nfs/dbraw/zinc/19/53/58/910195358.db2.gz	APIDCJADDFXWBV-CRAIPNDOSA-N	1	0	369.469	1.766	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082802613	910226345	/nfs/dbraw/zinc/22/63/45/910226345.db2.gz	ONCVPMXUQXXPID-SRCQZFHVSA-N	1	0	358.417	1.303	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccncn2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082813971	910277612	/nfs/dbraw/zinc/27/76/12/910277612.db2.gz	KWZPDWCPQZHDIO-RDTXWAMCSA-N	1	0	351.410	1.629	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CC2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)cc1F	ZINC000998083806	910313730	/nfs/dbraw/zinc/31/37/30/910313730.db2.gz	MQBVDGJJBOGIEQ-CVEARBPZSA-N	1	0	358.417	1.147	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](OC)C1	ZINC000946465135	910317148	/nfs/dbraw/zinc/31/71/48/910317148.db2.gz	UIGHRTAMIUCPJO-HUUCEWRRSA-N	1	0	363.458	1.509	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1=O	ZINC000998102725	910345806	/nfs/dbraw/zinc/34/58/06/910345806.db2.gz	AFBULSSRLKODQH-TVFCKZIOSA-N	1	0	361.486	1.169	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3nc[nH]c3C2)C[C@H]1C	ZINC001082846429	910425011	/nfs/dbraw/zinc/42/50/11/910425011.db2.gz	VGFNLQSISFHTDZ-IFUGULHKSA-N	1	0	367.291	1.860	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2c(C)nn(C)c2F)C[C@H]1C	ZINC001082889605	910699045	/nfs/dbraw/zinc/69/90/45/910699045.db2.gz	KUBZIYBNNVYEIN-LDYMZIIASA-N	1	0	359.243	1.826	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ccc(CNC(N)=O)cc2)C[C@H]1C	ZINC001082911597	910855877	/nfs/dbraw/zinc/85/58/77/910855877.db2.gz	JZKQSZFAJNZDBT-IAQYHMDHSA-N	1	0	350.850	1.658	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc4c[nH+]cn4c2)C3)c1	ZINC000998360596	910920447	/nfs/dbraw/zinc/92/04/47/910920447.db2.gz	RNGIEUSRPWHLBA-HFTRVMKXSA-N	1	0	374.404	1.710	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3nc(C)c(C)s3)C[C@H]2C)C1=O	ZINC001082929480	910945526	/nfs/dbraw/zinc/94/55/26/910945526.db2.gz	XSYFXMBHTXLRKG-BYCMXARLSA-N	1	0	362.499	1.597	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cnn(C)c2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082940630	911014042	/nfs/dbraw/zinc/01/40/42/911014042.db2.gz	INCLVJZYCLCVEY-DNVCBOLYSA-N	1	0	351.454	1.861	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NCc3ncc(C4CC4)o3)C2)CC1	ZINC001082941482	911018081	/nfs/dbraw/zinc/01/80/81/911018081.db2.gz	SEUWTLQBVMVTGC-CRAIPNDOSA-N	1	0	370.497	1.834	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C(N)=O)cs2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082947516	911082436	/nfs/dbraw/zinc/08/24/36/911082436.db2.gz	XGDARZJOOYAELN-MLGOLLRUSA-N	1	0	368.462	1.969	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cc(CC)n(C)n2)C[C@H]1C	ZINC001082961497	911179047	/nfs/dbraw/zinc/17/90/47/911179047.db2.gz	XBCGHRSLSBDARD-QMTHXVAHSA-N	1	0	355.280	1.941	20	30		FDEDRO
N#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CCC[NH+]2CCC4)C3)[nH]1	ZINC000998563628	911242797	/nfs/dbraw/zinc/24/27/97/911242797.db2.gz	VQVPXPBBLABZKO-PVAVHDDUSA-N	1	0	367.453	1.376	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)CC4CCCC4)[C@H]3C2)C1=O	ZINC001082986695	911331653	/nfs/dbraw/zinc/33/16/53/911331653.db2.gz	PNQNOYYCVXNYSX-FGTMMUONSA-N	1	0	361.486	1.265	20	30		FDEDRO
CC(=O)N1C[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)Oc2ccccc21	ZINC000727863367	911406233	/nfs/dbraw/zinc/40/62/33/911406233.db2.gz	IVKIUWUOGQYROV-SFHVURJKSA-N	1	0	358.442	1.494	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)/C=C(/C)C4CC4)[C@H]3C2)C1=O	ZINC001083014521	911524456	/nfs/dbraw/zinc/52/44/56/911524456.db2.gz	IXQYXAIKLOPDMQ-LWGBDSPQSA-N	1	0	359.470	1.041	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](C[C@H](OCC)C2CC2)C[C@H]1OC	ZINC001212409194	911713934	/nfs/dbraw/zinc/71/39/34/911713934.db2.gz	AINNCCLELHHYIF-NZSAHSFTSA-N	1	0	361.486	1.918	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](C2CC2)[NH+](C)C)cn1	ZINC000998953143	911922356	/nfs/dbraw/zinc/92/23/56/911922356.db2.gz	BIPCSVWMHCAUQE-YDZRNGNQSA-N	1	0	366.465	1.265	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N(C)C2CC([NH2+]Cc3ccccc3C#N)C2)O1	ZINC000998983121	911932985	/nfs/dbraw/zinc/93/29/85/911932985.db2.gz	JGLTWAQMYPGQPV-YOODTLSXSA-N	1	0	356.470	1.356	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(-c4cnco4)cc3)[C@H]2C1	ZINC001083122180	911936636	/nfs/dbraw/zinc/93/66/36/911936636.db2.gz	XGTWLBWCBOZDJT-PKOBYXMFSA-N	1	0	351.406	1.890	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)COc3c(C)nn(C)c3C)[C@H]2C1	ZINC001083080883	911943020	/nfs/dbraw/zinc/94/30/20/911943020.db2.gz	JUGHFKPWGHOUJI-DLBZAZTESA-N	1	0	362.474	1.294	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H]3COc4ccccc4O3)[C@H]2C1	ZINC001083095204	911987937	/nfs/dbraw/zinc/98/79/37/911987937.db2.gz	UCLGJLHICOTPNO-TXPKVOOTSA-N	1	0	358.438	1.704	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)[C@H]2C1	ZINC001083098894	912000826	/nfs/dbraw/zinc/00/08/26/912000826.db2.gz	LCHSKOCYJSMDDV-YESZJQIVSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)n3nnnc3C(C)(C)C)[C@H]2C1	ZINC001083102095	912024952	/nfs/dbraw/zinc/02/49/52/912024952.db2.gz	LXEIOURONBUTQF-QLFBSQMISA-N	1	0	362.478	1.019	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3coc(-c4ccccn4)n3)[C@H]2C1	ZINC001083130355	912122776	/nfs/dbraw/zinc/12/27/76/912122776.db2.gz	KZQDVQMMNWUMDQ-DLBZAZTESA-N	1	0	354.410	1.838	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)CCc3ccc(OC)c(F)c3)[C@H]2C1	ZINC001083141064	912154616	/nfs/dbraw/zinc/15/46/16/912154616.db2.gz	MBNOXRCBBOPSRU-PKOBYXMFSA-N	1	0	360.429	1.702	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)C(=O)Nc3ccc(Cl)cc3)[C@H]2C1	ZINC001083134527	912168607	/nfs/dbraw/zinc/16/86/07/912168607.db2.gz	FDZGMRRBLGYOPV-JKSUJKDBSA-N	1	0	363.845	1.766	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cncc(OC)n2)C1	ZINC000999179532	912208958	/nfs/dbraw/zinc/20/89/58/912208958.db2.gz	BIASYRICPFKZHE-OIISXLGYSA-N	1	0	360.458	1.547	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCNC(=O)CC4)[C@@H]3C2)c1	ZINC001084547854	915312317	/nfs/dbraw/zinc/31/23/17/915312317.db2.gz	QIAIDBQDUBSXPY-GUDVDZBRSA-N	1	0	366.465	1.507	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(Cc4ccc(C#N)s4)C[C@H]32)C1	ZINC001084662508	915921432	/nfs/dbraw/zinc/92/14/32/915921432.db2.gz	MSKQNOMHATXJSV-IIDMSEBBSA-N	1	0	358.511	1.994	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)CC1	ZINC000730092215	916111586	/nfs/dbraw/zinc/11/15/86/916111586.db2.gz	DNWVTJKQGXSBBS-UHFFFAOYSA-N	1	0	353.426	1.269	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3CC[N@@H+](CCc4ccccc4F)C[C@H]32)nn1	ZINC001084709394	916399301	/nfs/dbraw/zinc/39/93/01/916399301.db2.gz	ZEWDFEZZJBCDJT-VQIMIIECSA-N	1	0	369.444	1.992	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@H]3CC[N@H+](C[C@H]4CCCOC4)C[C@H]32)nn1	ZINC001084713078	916449495	/nfs/dbraw/zinc/44/94/95/916449495.db2.gz	JGNUSKRRUWPTBW-JFIYKMOQSA-N	1	0	359.474	1.427	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4cnoc4C)C[C@H]32)CC1	ZINC001084851174	917658882	/nfs/dbraw/zinc/65/88/82/917658882.db2.gz	PUYMIUBWAQBYMB-IEBWSBKVSA-N	1	0	356.470	1.361	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN([C@@H](C)c4nnc(C)o4)C[C@H]32)CC1	ZINC001084851298	917660453	/nfs/dbraw/zinc/66/04/53/917660453.db2.gz	WRXCZSAJVXTOPH-BMGDILEWSA-N	1	0	371.485	1.317	20	30		FDEDRO
C#CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)cc1	ZINC000731058523	917678699	/nfs/dbraw/zinc/67/86/99/917678699.db2.gz	HTBBKRNEGAZURS-AEFFLSMTSA-N	1	0	369.465	1.970	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1	ZINC000731126388	917772501	/nfs/dbraw/zinc/77/25/01/917772501.db2.gz	UJIHNKODZOCLQC-QGZVFWFLSA-N	1	0	355.438	1.724	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4COCCO4)C[C@@H]32)c1	ZINC001084894660	918075893	/nfs/dbraw/zinc/07/58/93/918075893.db2.gz	QJKGFFQSOYTLRE-QYZOEREBSA-N	1	0	355.438	1.396	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H]2CC[N@H+](Cc3cccc(C(=O)N(C)C)c3)[C@H]2C1	ZINC001084904936	918189092	/nfs/dbraw/zinc/18/90/92/918189092.db2.gz	KUTJKSQAUGGBMA-WDYCEAGBSA-N	1	0	368.481	1.971	20	30		FDEDRO
CN1CCO[C@H](C(=O)N2CC[C@H]3CCN(Cc4ccccc4C#N)[C@H]3C2)C1	ZINC001084911310	918248354	/nfs/dbraw/zinc/24/83/54/918248354.db2.gz	WZDZQXZOLAIWMP-UXPWSPDFSA-N	1	0	368.481	1.312	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)C1=O	ZINC001084915164	918282572	/nfs/dbraw/zinc/28/25/72/918282572.db2.gz	HOBUVDBINJTDMW-SZMVWBNQSA-N	1	0	367.453	1.210	20	30		FDEDRO
Cn1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]32)cc1=O	ZINC001084923484	918333197	/nfs/dbraw/zinc/33/31/97/918333197.db2.gz	UCGWMYFWEHBAJF-QAPCUYQASA-N	1	0	365.437	1.322	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4coc(C)c4)C[C@@H]32)C1=O	ZINC001084927703	918414538	/nfs/dbraw/zinc/41/45/38/918414538.db2.gz	NFJPAOCQZPVKEZ-SZMVWBNQSA-N	1	0	357.454	1.911	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2CC[N@H+](Cc3cc(=O)[nH]c(C4CC4)n3)[C@H]2C1	ZINC001084937860	918580246	/nfs/dbraw/zinc/58/02/46/918580246.db2.gz	JHKIKFIGDHSVEF-QAPCUYQASA-N	1	0	366.465	1.896	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3c[nH]cc3-c3cnn(C)c3)C[C@@H]21	ZINC001084939241	918599277	/nfs/dbraw/zinc/59/92/77/918599277.db2.gz	XYYYOKHVWVXZHP-BEFAXECRSA-N	1	0	351.454	1.975	20	30		FDEDRO
O=C(C[C@H]1CCNC1=O)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001084956367	918797517	/nfs/dbraw/zinc/79/75/17/918797517.db2.gz	JCDZCKSZRWUJAE-AQNXPRMDSA-N	1	0	365.477	1.487	20	30		FDEDRO
C[NH+](C)CCCNC(=S)NN=C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000731930387	918851706	/nfs/dbraw/zinc/85/17/06/918851706.db2.gz	WTURVQCBMWNGID-UHFFFAOYSA-N	1	0	357.524	1.789	20	30		FDEDRO
C[NH+](C)CCCNC(=S)NN=C1CCS(=O)(=O)c2ccc(F)cc21	ZINC000731931209	918855243	/nfs/dbraw/zinc/85/52/43/918855243.db2.gz	ZSTZSXQJWUJSAA-UHFFFAOYSA-N	1	0	372.491	1.123	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@H]2C1	ZINC001084961472	918864695	/nfs/dbraw/zinc/86/46/95/918864695.db2.gz	JFJRUDJVZSNJQZ-LDTOTXGLSA-N	1	0	369.465	1.785	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@]3(C4CCCC4)CCNC3=O)C[C@@H]21	ZINC001084961708	918866371	/nfs/dbraw/zinc/86/63/71/918866371.db2.gz	VPYMEXLNOCDLDI-PLMTUMEDSA-N	1	0	357.498	1.629	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCO[C@H]3c3ccnn3CC)C[C@@H]21	ZINC001084963374	918889144	/nfs/dbraw/zinc/88/91/44/918889144.db2.gz	PWDGPPRVCNZDLI-ZAWLATJESA-N	1	0	356.470	1.537	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CCCNC4=O)C[C@@H]32)c1	ZINC001084964636	918924885	/nfs/dbraw/zinc/92/48/85/918924885.db2.gz	JOKHNUNIONVRHR-QYZOEREBSA-N	1	0	366.465	1.507	20	30		FDEDRO
C[C@@]1(C(=O)N2CC[C@H]3CC[N@H+](Cc4cccc(C#N)c4)[C@H]3C2)CNC(=O)C1	ZINC001084996029	919347267	/nfs/dbraw/zinc/34/72/67/919347267.db2.gz	NFUHHBYIGHNFEW-LQWHRVPQSA-N	1	0	366.465	1.507	20	30		FDEDRO
CN1CC[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CC#Cc4ccccc4)[C@H]3C2)C1=O	ZINC001085012012	919587439	/nfs/dbraw/zinc/58/74/39/919587439.db2.gz	PXJKSAKNVRERIG-AQNXPRMDSA-N	1	0	365.477	1.439	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)[C@H]4C[C@H]5C[C@H]5C4)C[C@@H]32)C1=O	ZINC001085013587	919639934	/nfs/dbraw/zinc/63/99/34/919639934.db2.gz	SVPQOMPGZKYWCQ-YCOHNSLCSA-N	1	0	357.498	1.742	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3COCCN3C3CCCC3)C[C@@H]21	ZINC001085015015	919667051	/nfs/dbraw/zinc/66/70/51/919667051.db2.gz	QZCBERRGXRMYEV-YZGWKJHDSA-N	1	0	359.514	1.576	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)c4c[nH]c(=O)cn4)C[C@@H]32)s1	ZINC001085018782	919714560	/nfs/dbraw/zinc/71/45/60/919714560.db2.gz	PXHLOZJDXPFXEB-WBMJQRKESA-N	1	0	369.450	1.440	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3nnn(C)c3C(F)(F)F)C[C@@H]21	ZINC001085051948	920101182	/nfs/dbraw/zinc/10/11/82/920101182.db2.gz	TWQKMFBVDQVWML-NEPJUHHUSA-N	1	0	357.380	1.946	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(C)nc4c3cnn4C)C[C@@H]21	ZINC001085064148	920344003	/nfs/dbraw/zinc/34/40/03/920344003.db2.gz	CBJOJGVSCFPGAB-QAPCUYQASA-N	1	0	351.454	1.836	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(N4CCCC4)nn3)C[C@@H]21	ZINC001085072094	920485483	/nfs/dbraw/zinc/48/54/83/920485483.db2.gz	HHOYIFFJQHELAR-AEFFLSMTSA-N	1	0	353.470	1.637	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(C)nc4cc(C)nn43)C[C@@H]21	ZINC001085095811	920879364	/nfs/dbraw/zinc/87/93/64/920879364.db2.gz	MKMBLYWOVOYNFA-AEFFLSMTSA-N	1	0	351.454	1.906	20	30		FDEDRO
C#CCOc1ccc(C[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)cc1	ZINC000733325389	920981137	/nfs/dbraw/zinc/98/11/37/920981137.db2.gz	LFJVRUQKTBCEAO-INIZCTEOSA-N	1	0	355.390	1.957	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2oc(C)nc2C)C1=O	ZINC001085160178	921888514	/nfs/dbraw/zinc/88/85/14/921888514.db2.gz	WCNZPHUZUZAILD-OAGGEKHMSA-N	1	0	360.458	1.709	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc[nH]c(=O)c2)C1=O	ZINC001085167912	921937251	/nfs/dbraw/zinc/93/72/51/921937251.db2.gz	QACIYTOJDNDBJX-BZUAXINKSA-N	1	0	358.442	1.205	20	30		FDEDRO
CN1CCOC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001085175134	921998097	/nfs/dbraw/zinc/99/80/97/921998097.db2.gz	FXOYOBYJALNZHV-BRWVUGGUSA-N	1	0	362.499	1.467	20	30		FDEDRO
C#CCCCCCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001065431887	922293384	/nfs/dbraw/zinc/29/33/84/922293384.db2.gz	XJFAMIYLMPZOOB-FGTMMUONSA-N	1	0	363.502	1.254	20	30		FDEDRO
Cc1nnc(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)c(F)c2)[nH]1	ZINC001085195081	922343611	/nfs/dbraw/zinc/34/36/11/922343611.db2.gz	GVBAYHYRCLPPSE-IAGOWNOFSA-N	1	0	370.432	1.884	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@]1(CO)CCCN(Cc2ccccc2)C1	ZINC000733898685	922468406	/nfs/dbraw/zinc/46/84/06/922468406.db2.gz	RWNQPFKLYNCMHR-SFTDATJTSA-N	1	0	372.513	1.658	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C)nnc2C)C1=O	ZINC001085211514	922789514	/nfs/dbraw/zinc/78/95/14/922789514.db2.gz	GJAODWPSOCJTEO-KZNAEPCWSA-N	1	0	371.485	1.511	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[C@@H]2CCNC2=O)cc1	ZINC001085223800	922938084	/nfs/dbraw/zinc/93/80/84/922938084.db2.gz	XAGQRTCKUTWHMS-RCCFBDPRSA-N	1	0	354.454	1.601	20	30		FDEDRO
CN1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)C1=O	ZINC001085237256	923031374	/nfs/dbraw/zinc/03/13/74/923031374.db2.gz	PAXAOKUVIFDFGK-IPMKNSEASA-N	1	0	368.481	1.944	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000734216473	923072351	/nfs/dbraw/zinc/07/23/51/923072351.db2.gz	TULGFWFDKDRWQO-MSOLQXFVSA-N	1	0	357.454	1.439	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)O1	ZINC001085242619	923117681	/nfs/dbraw/zinc/11/76/81/923117681.db2.gz	ZQHURTXKWNKFAY-HUYLIWGRSA-N	1	0	370.497	1.794	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn(C)c(=O)c1	ZINC001085247457	923143088	/nfs/dbraw/zinc/14/30/88/923143088.db2.gz	MMFPGPIPSDRPHS-ZIAGYGMSSA-N	1	0	368.275	1.925	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@@H+](CCO)CCOC(C)C)CC1	ZINC001098368432	923308405	/nfs/dbraw/zinc/30/84/05/923308405.db2.gz	NKXZJRRPOAJADU-MOPGFXCFSA-N	1	0	368.518	1.678	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCNC1=O	ZINC001085296238	923655861	/nfs/dbraw/zinc/65/58/61/923655861.db2.gz	UWNZLMCJLNJYOZ-GVDBMIGSSA-N	1	0	370.453	1.220	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(=O)cn2)cc1F	ZINC001085312361	923730930	/nfs/dbraw/zinc/73/09/30/923730930.db2.gz	AKOYYMMWISNPIR-HZPDHXFCSA-N	1	0	369.400	1.611	20	30		FDEDRO
C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)s2)CCC(=O)N1	ZINC001085321698	923869588	/nfs/dbraw/zinc/86/95/88/923869588.db2.gz	DTOCWNWIZLRYIL-RKVPGOIHSA-N	1	0	360.483	1.805	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(C(N)=O)[nH]1	ZINC001085334132	923966509	/nfs/dbraw/zinc/96/65/09/923966509.db2.gz	XGGMQAOXRAKXMF-HZPDHXFCSA-N	1	0	365.437	1.816	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc2n(n1)CCC2	ZINC001085337999	924019590	/nfs/dbraw/zinc/01/95/90/924019590.db2.gz	HDMILMPNAZEXTI-MKXGPGLRSA-N	1	0	358.486	1.937	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCn1nc(C)nc1C	ZINC001085337966	924019668	/nfs/dbraw/zinc/01/96/68/924019668.db2.gz	FISZJVABUXQMGB-TVFCKZIOSA-N	1	0	361.490	1.503	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cn(C)nc2C)nn1	ZINC001085358626	924171196	/nfs/dbraw/zinc/17/11/96/924171196.db2.gz	KSNLLLXNJOTGTB-IAGOWNOFSA-N	1	0	371.489	1.727	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2c(C)noc2C)nn1	ZINC001085356523	924178803	/nfs/dbraw/zinc/17/88/03/924178803.db2.gz	CAKKXZHXGWXDAS-HZPDHXFCSA-N	1	0	358.446	1.900	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H](C)c2nnc(C)[nH]2)nn1	ZINC001085357372	924187251	/nfs/dbraw/zinc/18/72/51/924187251.db2.gz	RNYJIDQFRRZVST-IACUBPJLSA-N	1	0	358.450	1.282	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[C@@H]2CCC(=O)N2)s1	ZINC001085360951	924225995	/nfs/dbraw/zinc/22/59/95/924225995.db2.gz	HXBPXGMFBATYNB-APHBMKBZSA-N	1	0	360.483	1.805	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCOC1	ZINC001085398721	924449917	/nfs/dbraw/zinc/44/99/17/924449917.db2.gz	WPJKOLUYARVNRH-CGTJXYLNSA-N	1	0	357.454	1.761	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCc3ncnn32)nc1	ZINC001085398735	924449955	/nfs/dbraw/zinc/44/99/55/924449955.db2.gz	XHIMDMZJXCQKCM-GVDBMIGSSA-N	1	0	364.453	1.473	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCc3ncnn32)cn1	ZINC001085398898	924450737	/nfs/dbraw/zinc/45/07/37/924450737.db2.gz	GKUGBQHXXXHHNS-KZNAEPCWSA-N	1	0	364.453	1.473	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCN(CC)C2=O)cn1	ZINC001085398938	924451098	/nfs/dbraw/zinc/45/10/98/924451098.db2.gz	IPXNSWIHKHLOJD-KZNAEPCWSA-N	1	0	354.454	1.314	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(OC)nn2)cn1	ZINC001085399237	924452045	/nfs/dbraw/zinc/45/20/45/924452045.db2.gz	YIVBKGMADVKCCJ-QZTJIDSGSA-N	1	0	365.437	1.692	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(=O)[nH]c2)C1=O	ZINC001085412762	924527243	/nfs/dbraw/zinc/52/72/43/924527243.db2.gz	MPKIBPYYIMESMP-OAGGEKHMSA-N	1	0	358.442	1.205	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCc2cccc(S(=O)(=O)N(C)C)c2)CC1	ZINC000735938539	924685214	/nfs/dbraw/zinc/68/52/14/924685214.db2.gz	ZXUPXLLGVJNOPW-UHFFFAOYSA-N	1	0	364.467	1.325	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCNC2=O)cc1	ZINC001085434247	924697993	/nfs/dbraw/zinc/69/79/93/924697993.db2.gz	ATIFJTAZDLQNPK-GUDVDZBRSA-N	1	0	371.481	1.699	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC(=O)NC1=O	ZINC001085441482	924734356	/nfs/dbraw/zinc/73/43/56/924734356.db2.gz	AUYAFBVXCOFGKR-GVDBMIGSSA-N	1	0	368.437	1.128	20	30		FDEDRO
C[NH+](C)C[C@H]1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1	ZINC000738226621	925139872	/nfs/dbraw/zinc/13/98/72/925139872.db2.gz	YEZDSMFXPRQWKY-BEFAXECRSA-N	1	0	355.442	1.166	20	30		FDEDRO
N#CCn1c(=O)c2ccccc2nc1CN1CC[C@H](C[NH+]2CCCC2)C1	ZINC000739927603	925324497	/nfs/dbraw/zinc/32/44/97/925324497.db2.gz	ZHNXXCFHYBWWDA-MRXNPFEDSA-N	1	0	351.454	1.838	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1	ZINC001086089672	925938060	/nfs/dbraw/zinc/93/80/60/925938060.db2.gz	KNJXLKIGKVWULR-SFFUCWETSA-N	1	0	363.502	1.368	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001086197486	926260638	/nfs/dbraw/zinc/26/06/38/926260638.db2.gz	KAUUTDBORURSKC-XWTMOSNGSA-N	1	0	354.454	1.267	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCCCC2)C1	ZINC001086202286	926287195	/nfs/dbraw/zinc/28/71/95/926287195.db2.gz	QYSJTMVIBXHEIM-XDNAFOTISA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccccc2F)C1	ZINC001086202789	926289721	/nfs/dbraw/zinc/28/97/21/926289721.db2.gz	QPJNALBOIKIIPE-CIMZGTONSA-N	1	0	362.445	1.935	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3ccco3)C2)C1=O	ZINC001086205649	926298147	/nfs/dbraw/zinc/29/81/47/926298147.db2.gz	CIKZRTQAWQBYNF-JJTUDDRGSA-N	1	0	357.454	1.654	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000743947691	926522945	/nfs/dbraw/zinc/52/29/45/926522945.db2.gz	SQTUMGWDIGDVLT-KRWDZBQOSA-N	1	0	370.453	1.565	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC[N@H+]2CCC[C@@H]2C)cc1	ZINC000743982479	926538432	/nfs/dbraw/zinc/53/84/32/926538432.db2.gz	PQEYZAJLRZTAKY-AWEZNQCLSA-N	1	0	358.442	1.141	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1	ZINC001066496959	926694523	/nfs/dbraw/zinc/69/45/23/926694523.db2.gz	LVGWKCPCGUTGRM-AOIWGVFYSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@]1(C)C[N@H+](CCCOCC)CCO1	ZINC001108271637	927081183	/nfs/dbraw/zinc/08/11/83/927081183.db2.gz	ZHMQVQQPITYRMC-CMKODMSKSA-N	1	0	368.518	1.991	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)CC1	ZINC001066547710	927505836	/nfs/dbraw/zinc/50/58/36/927505836.db2.gz	LEXLMNDRUQKYDB-KURKYZTESA-N	1	0	365.518	1.807	20	30		FDEDRO
C[NH+](C)Cc1ccccc1CNC(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000746021777	927544202	/nfs/dbraw/zinc/54/42/02/927544202.db2.gz	VHPJKSRLMGYROP-HNENSFHCSA-N	1	0	356.426	1.281	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCN(CC)C2=O)C1	ZINC001086500605	927663390	/nfs/dbraw/zinc/66/33/90/927663390.db2.gz	JWFJCFJTFOHTBC-ATIWLJMLSA-N	1	0	363.502	1.463	20	30		FDEDRO
C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cnn(CC#N)c2)C1	ZINC000746377814	927926227	/nfs/dbraw/zinc/92/62/27/927926227.db2.gz	PDBFJXUUQALOLQ-ZBFHGGJFSA-N	1	0	366.425	1.297	20	30		FDEDRO
CC(C)(C)OC(=O)[C@H](C#N)c1cccc(-n2cncc2C[C@@H]([NH3+])CO)n1	ZINC001169072750	928262800	/nfs/dbraw/zinc/26/28/00/928262800.db2.gz	WHCPMJCUNNINRC-TZMCWYRMSA-N	1	0	357.414	1.078	20	30		FDEDRO
C#C[C@@](C)(CC)[NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC001169177624	928340663	/nfs/dbraw/zinc/34/06/63/928340663.db2.gz	SLNLQKYONDVVKB-KUHUBIRLSA-N	1	0	359.474	1.384	20	30		FDEDRO
C=CCOC(=O)N1CCC(C[NH2+][C@H]2CC[C@@H](C(=O)OCC)OC2)CC1	ZINC001169373026	928485112	/nfs/dbraw/zinc/48/51/12/928485112.db2.gz	NMKFFTMOZQBWND-HOTGVXAUSA-N	1	0	354.447	1.721	20	30		FDEDRO
CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)CO1	ZINC001169404854	928507807	/nfs/dbraw/zinc/50/78/07/928507807.db2.gz	PVRLXWJFFQCOLR-SJORKVTESA-N	1	0	358.442	1.576	20	30		FDEDRO
C[C@H](CC#N)N(C)CN1C(=O)N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O	ZINC000103460361	928950924	/nfs/dbraw/zinc/95/09/24/928950924.db2.gz	BCSAQMNCVRCBLV-UZLBHIALSA-N	1	0	369.469	1.764	20	30		FDEDRO
C=CCCC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CCO[C@H]3C(=C)C)CC2=O)C1	ZINC001108581022	928955404	/nfs/dbraw/zinc/95/54/04/928955404.db2.gz	ZJXSHKKFOWSHBB-AYBZRNKSSA-N	1	0	361.486	1.335	20	30		FDEDRO
C[C@@H](CNc1ncccc1C#N)NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1	ZINC001108725129	929139765	/nfs/dbraw/zinc/13/97/65/929139765.db2.gz	JXAJSQWJZYJOII-QGTPRVQTSA-N	1	0	371.485	1.617	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C)cc2=O)[C@@H](n2ccnn2)C1	ZINC001129366693	929270713	/nfs/dbraw/zinc/27/07/13/929270713.db2.gz	YDAROYBAHDRYNO-UAGQMJEPSA-N	1	0	370.457	1.285	20	30		FDEDRO
CNC(=O)c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CSCC#N)C3)cc1	ZINC001108947264	929582815	/nfs/dbraw/zinc/58/28/15/929582815.db2.gz	LFQYRSNGIBXEEP-IKGGRYGDSA-N	1	0	372.494	1.524	20	30		FDEDRO
C#C[C@H](C)[N@H+](C)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000769962105	929756238	/nfs/dbraw/zinc/75/62/38/929756238.db2.gz	QZQIJXAQGZGVBN-HNNXBMFYSA-N	1	0	352.456	1.040	20	30		FDEDRO
C=CCNc1ncc(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)s1	ZINC000770117834	929865006	/nfs/dbraw/zinc/86/50/06/929865006.db2.gz	VDWONWBDQQRGBM-UHFFFAOYSA-N	1	0	364.471	1.641	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1	ZINC000770790683	930262202	/nfs/dbraw/zinc/26/22/02/930262202.db2.gz	GIFGJODRWSDXIC-HZPDHXFCSA-N	1	0	358.504	1.325	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)OCc1ccncc1)C2	ZINC001109738598	930280494	/nfs/dbraw/zinc/28/04/94/930280494.db2.gz	VGEOKSWQVKKJHQ-NQYYFHDYSA-N	1	0	359.470	1.911	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn3cc(C)cnc13)C2	ZINC001109771136	930375890	/nfs/dbraw/zinc/37/58/90/930375890.db2.gz	OQLPZMYJGUKUCV-PVAVHDDUSA-N	1	0	355.442	1.575	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCOCC1	ZINC001109805722	930497408	/nfs/dbraw/zinc/49/74/08/930497408.db2.gz	IIEVQVCQRDOWEL-XWSJACJDSA-N	1	0	363.502	1.605	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c(F)c1	ZINC000771219048	930543538	/nfs/dbraw/zinc/54/35/38/930543538.db2.gz	DQJBIXMWQSVFQV-OAHLLOKOSA-N	1	0	374.416	1.395	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C[C@H]3CCOC3)nn1)C2	ZINC001109900844	930714714	/nfs/dbraw/zinc/71/47/14/930714714.db2.gz	IYKCOSDAIZETJC-CBZIJGRNSA-N	1	0	359.474	1.616	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1C(=O)NC(=O)C1(C)C)C2	ZINC001109925847	930767832	/nfs/dbraw/zinc/76/78/32/930767832.db2.gz	GRKOYVISIRVWOR-XGUBFFRZSA-N	1	0	362.474	1.393	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)NC(=O)CC(C)(C)C)C2	ZINC001109967756	930930200	/nfs/dbraw/zinc/93/02/00/930930200.db2.gz	LPKSNGIAIGCKLB-NCOADZHNSA-N	1	0	365.518	1.851	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC(=O)NC(C)C)C2	ZINC001110001183	931010172	/nfs/dbraw/zinc/01/01/72/931010172.db2.gz	QKUHAYQHZSUBRS-IKGGRYGDSA-N	1	0	351.491	1.605	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H](CNc2cc(C)ncc2C#N)C2CC2)CC[N@@H+]1C	ZINC001110001654	931013125	/nfs/dbraw/zinc/01/31/25/931013125.db2.gz	HSWPSXUZFFUHRS-YTQUADARSA-N	1	0	355.486	1.721	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)NCc2ccccc2COCC)CC1	ZINC000772134657	931093412	/nfs/dbraw/zinc/09/34/12/931093412.db2.gz	WFFCAKHSYLKPJF-UHFFFAOYSA-N	1	0	372.465	1.728	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CN(C(C)=O)CCO1)C2	ZINC001110049098	931260165	/nfs/dbraw/zinc/26/01/65/931260165.db2.gz	MKMVEMICNZMYHP-XWSJACJDSA-N	1	0	363.502	1.702	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1NC(=O)NC1=O)C2	ZINC001110077382	931411634	/nfs/dbraw/zinc/41/16/34/931411634.db2.gz	RFOFWKOZSLWJNX-WCVJEAGWSA-N	1	0	364.490	1.667	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(CNC(C)=O)o1)C2	ZINC001112546866	931441806	/nfs/dbraw/zinc/44/18/06/931441806.db2.gz	IMMNRVSJHBSOKP-JXFKEZNVSA-N	1	0	357.454	1.771	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnon1)C2	ZINC001112548773	931473413	/nfs/dbraw/zinc/47/34/13/931473413.db2.gz	QVXDRYLCWYFKLZ-FZMZJTMJSA-N	1	0	355.236	1.810	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CC(=O)N(C)C1=O)C2	ZINC001112562880	931596780	/nfs/dbraw/zinc/59/67/80/931596780.db2.gz	SNZFRZSCVNYBHZ-KXBFYZLASA-N	1	0	362.474	1.065	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CN(C(C)=O)CCO1)C2	ZINC001112572094	931666182	/nfs/dbraw/zinc/66/61/82/931666182.db2.gz	DLCPCQDXOWOKGD-NSHGMRRFSA-N	1	0	363.502	1.418	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1ccc(C(F)(F)F)n1)C2	ZINC001112575502	931704346	/nfs/dbraw/zinc/70/43/46/931704346.db2.gz	NCUQVKDSFXPUHS-BBRMVZONSA-N	1	0	354.376	1.753	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)C(C)(C)C)C2	ZINC001112577734	931730857	/nfs/dbraw/zinc/73/08/57/931730857.db2.gz	BASCGPBSFWPDSL-JXFKEZNVSA-N	1	0	365.518	1.570	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCS1(=O)=O)C2	ZINC001112582875	931750790	/nfs/dbraw/zinc/75/07/90/931750790.db2.gz	SSZKDPWBONIQRQ-DZKIICNBSA-N	1	0	360.907	1.534	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCc3nnc(C)n3C1)C2	ZINC001112583782	931757648	/nfs/dbraw/zinc/75/76/48/931757648.db2.gz	JDPDNWWPXNOBCN-ZWOKBUDYSA-N	1	0	357.502	1.943	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC3CCC1CC3)C2	ZINC001112586731	931777881	/nfs/dbraw/zinc/77/78/81/931777881.db2.gz	NGGKHOSSPWIYRW-OQNKIJFISA-N	1	0	371.525	1.780	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)CS(C)(=O)=O)C2	ZINC001112588580	931797531	/nfs/dbraw/zinc/79/75/31/931797531.db2.gz	IFYGYXWVRQPVTB-YJBOKZPZSA-N	1	0	354.516	1.299	20	30		FDEDRO
COCC[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@H]1CCOC1	ZINC000786193308	931797856	/nfs/dbraw/zinc/79/78/56/931797856.db2.gz	ZHDXSGIFFWXGOR-JKSUJKDBSA-N	1	0	366.421	1.961	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+]C(C)(C)C2CCOCC2)CC1	ZINC000786166493	931809542	/nfs/dbraw/zinc/80/95/42/931809542.db2.gz	RQNHJBZKFBJCQA-QGZVFWFLSA-N	1	0	350.507	1.474	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)CN3CC[C@@](F)(C#N)C3)cc2)CC1	ZINC000786439960	931917158	/nfs/dbraw/zinc/91/71/58/931917158.db2.gz	BPBFIWCWVNJIDL-LJQANCHMSA-N	1	0	359.449	1.705	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC)[C@@H]1CCCO1	ZINC000786650902	931984482	/nfs/dbraw/zinc/98/44/82/931984482.db2.gz	QHOPYVSHSIZTBP-IKGGRYGDSA-N	1	0	351.491	1.156	20	30		FDEDRO
N#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)CCC3)C2	ZINC001110083743	932285767	/nfs/dbraw/zinc/28/57/67/932285767.db2.gz	SUEYCEZEGIFGOL-SQNIBIBYSA-N	1	0	352.438	1.150	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1	ZINC000787473458	932302949	/nfs/dbraw/zinc/30/29/49/932302949.db2.gz	LNURKKCILADZEB-UHFFFAOYSA-N	1	0	370.251	1.113	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cccc(F)c1C#N	ZINC000746701828	932363934	/nfs/dbraw/zinc/36/39/34/932363934.db2.gz	KAIKCMCXRYWGOZ-DAXOMENPSA-N	1	0	367.446	1.570	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCCNc2ccc(C#N)cn2)C1	ZINC000746750995	932740840	/nfs/dbraw/zinc/74/08/40/932740840.db2.gz	FWIZFJYYFRNZNQ-KRWDZBQOSA-N	1	0	374.489	1.507	20	30		FDEDRO
COC(=O)CC[NH+]1CCC(N=Nc2nc3ccccc3c(=O)n2C)CC1	ZINC000788701551	932788404	/nfs/dbraw/zinc/78/84/04/932788404.db2.gz	GKVQIPXEVHXWAO-UHFFFAOYSA-N	1	0	357.414	1.360	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC(=O)N(C(C)C)C2)C1	ZINC001086591304	933766307	/nfs/dbraw/zinc/76/63/07/933766307.db2.gz	GQLUSQOHVUQIAP-SLFFLAALSA-N	1	0	367.493	1.851	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1	ZINC000790976021	933823577	/nfs/dbraw/zinc/82/35/77/933823577.db2.gz	WXXDTNMCHYGHOL-QGZVFWFLSA-N	1	0	357.454	1.874	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2nc(C)c(C)[nH]c2=O)C1	ZINC001086594423	933881706	/nfs/dbraw/zinc/88/17/06/933881706.db2.gz	YDWRUSDRMPGYRA-DLBZAZTESA-N	1	0	352.438	1.771	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(C(N)=O)cn2C)C1	ZINC001086597382	933970397	/nfs/dbraw/zinc/97/03/97/933970397.db2.gz	BQKSYCZCBHZFPU-ZWKOTPCHSA-N	1	0	366.465	1.898	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1	ZINC001086597841	933980521	/nfs/dbraw/zinc/98/05/21/933980521.db2.gz	CEIADVDEIVTQJS-DLBZAZTESA-N	1	0	368.437	1.109	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCCO1	ZINC000793911396	938336715	/nfs/dbraw/zinc/33/67/15/938336715.db2.gz	BHKDSPDXQWZAMD-YVSFHVDLSA-N	1	0	363.502	1.156	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@]2(C)CCN(C(C)=O)C2)C1	ZINC001086618708	938350431	/nfs/dbraw/zinc/35/04/31/938350431.db2.gz	HGBAUUWCLGROHR-TUNNFDKTSA-N	1	0	367.493	1.852	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCc3n[nH]nc3C2)C1	ZINC001086619557	938355048	/nfs/dbraw/zinc/35/50/48/938355048.db2.gz	WQJLOBNOWVYLIO-ABSDTBQOSA-N	1	0	363.465	1.517	20	30		FDEDRO
C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2c(OC)cc[nH]c2=O)C1	ZINC001086620272	938358933	/nfs/dbraw/zinc/35/89/33/938358933.db2.gz	IPZJUOJZUFXGSN-JKSUJKDBSA-N	1	0	351.406	1.627	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H](OC)C2CCCC2)[C@@H](n2ccnn2)C1	ZINC001129412180	938407726	/nfs/dbraw/zinc/40/77/26/938407726.db2.gz	LMSIHVJPTFOTOA-FGTMMUONSA-N	1	0	361.490	1.791	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)COc2cc(C)cc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129437698	938424866	/nfs/dbraw/zinc/42/48/66/938424866.db2.gz	FKHRFHJRDHIOSA-MOPGFXCFSA-N	1	0	367.453	1.339	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCn2cccn2)[C@@H](n2ccnn2)C1	ZINC001129438335	938425597	/nfs/dbraw/zinc/42/55/97/938425597.db2.gz	RSDDXTZVOACWRZ-KSZLIROESA-N	1	0	371.489	1.651	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C)C[C@@H]1n1ccnn1	ZINC001129477155	938433230	/nfs/dbraw/zinc/43/32/30/938433230.db2.gz	ZSKGFZPHFQSJAL-MOPGFXCFSA-N	1	0	369.469	1.721	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)Cc2ccc(F)cc2)[C@@H](n2ccnn2)C1	ZINC001129484817	938439931	/nfs/dbraw/zinc/43/99/31/938439931.db2.gz	JPFNUFNZQOLPGN-LZQZEXGQSA-N	1	0	369.444	1.661	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2C(=O)CNC2=O)C1	ZINC001086623000	938446299	/nfs/dbraw/zinc/44/62/99/938446299.db2.gz	FISXYXQIEVOGAN-DLBZAZTESA-N	1	0	370.453	1.089	20	30		FDEDRO
O=C(C1CC1)N1C[C@@H]([NH2+]CC#Cc2ccc(Cl)cc2)[C@@H](n2ccnn2)C1	ZINC001129511090	938447151	/nfs/dbraw/zinc/44/71/51/938447151.db2.gz	IWDJKHIUMIRLDL-MSOLQXFVSA-N	1	0	369.856	1.735	20	30		FDEDRO
CC(C)C(=O)N1C[C@@H]([NH2+]CC#Cc2ccc(Cl)cc2)[C@@H](n2ccnn2)C1	ZINC001129582679	938459029	/nfs/dbraw/zinc/45/90/29/938459029.db2.gz	MWWFTZGSMKNPIC-MSOLQXFVSA-N	1	0	371.872	1.981	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C=C2CCCCC2)C[C@@H]1n1ccnn1	ZINC001129638413	938475995	/nfs/dbraw/zinc/47/59/95/938475995.db2.gz	WXMIXRBGJYFOJH-MSOLQXFVSA-N	1	0	359.474	1.713	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]CCn2cc(Cl)cn2)[C@@H](n2ccnn2)C1	ZINC001129667153	938478731	/nfs/dbraw/zinc/47/87/31/938478731.db2.gz	PRJCPJFFWSTZAK-CABCVRRESA-N	1	0	363.853	1.136	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]CCc2scnc2C)[C@@H](n2ccnn2)C1	ZINC001129667506	938478922	/nfs/dbraw/zinc/47/89/22/938478922.db2.gz	XELCNOHDLVVTII-CABCVRRESA-N	1	0	360.487	1.593	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]([NH2+]CCC2=CCCCC2)[C@@H](n2ccnn2)C1	ZINC001129681364	938484078	/nfs/dbraw/zinc/48/40/78/938484078.db2.gz	PGJODIKNJSLHEY-MSOLQXFVSA-N	1	0	359.474	1.713	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)cc2)[C@@H](n2ccnn2)C1	ZINC001129681722	938484250	/nfs/dbraw/zinc/48/42/50/938484250.db2.gz	WZWRUXHPQDDRDN-MSOLQXFVSA-N	1	0	371.441	1.031	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]CCCc2ccsc2)[C@@H](n2ccnn2)C1	ZINC001129677319	938490828	/nfs/dbraw/zinc/49/08/28/938490828.db2.gz	DWIGITYADAMQKL-BMFZPTHFSA-N	1	0	358.471	1.474	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H]([NH2+]Cc2ccsc2)[C@@H](n2ccnn2)C1	ZINC001129795364	938508874	/nfs/dbraw/zinc/50/88/74/938508874.db2.gz	GVKMHTLFORFFNJ-HLLBOEOZSA-N	1	0	361.471	1.208	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H]([NH2+]Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129795351	938508887	/nfs/dbraw/zinc/50/88/87/938508887.db2.gz	GMACIEFNRCBAQH-ZIFCJYIRSA-N	1	0	355.442	1.147	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccoc2CC)C[C@@H]1n1ccnn1	ZINC001129798189	938510845	/nfs/dbraw/zinc/51/08/45/938510845.db2.gz	QJYHMQDCYWPAIJ-CVEARBPZSA-N	1	0	359.430	1.291	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC2(COC)CC2)C[C@@H]1n1ccnn1	ZINC001129825124	938522908	/nfs/dbraw/zinc/52/29/08/938522908.db2.gz	MITMMMGKYKKOLZ-ZACQAIPSSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n2ccnn2)C1	ZINC001129855763	938528684	/nfs/dbraw/zinc/52/86/84/938528684.db2.gz	QQDCZMXOHUJIMP-RMLIRQRHSA-N	1	0	365.865	1.353	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2ccn(CC)n2)C[C@@H]1n1ccnn1	ZINC001129857590	938529597	/nfs/dbraw/zinc/52/95/97/938529597.db2.gz	ARCQRHMPSQXUSS-SJORKVTESA-N	1	0	357.462	1.045	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H]([NH2+]CCCCOC)[C@@H](n2ccnn2)C1	ZINC001129866511	938531185	/nfs/dbraw/zinc/53/11/85/938531185.db2.gz	DAJGEUWDMMCZJE-MSOLQXFVSA-N	1	0	361.490	1.815	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]C[C@@H](O)c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129834172	938533370	/nfs/dbraw/zinc/53/33/70/938533370.db2.gz	OMAPJBLIWZPJOF-CEXWTWQISA-N	1	0	367.453	1.157	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]CC2CC(F)(F)C2)[C@@H](n2ccnn2)C1	ZINC001129834424	938533728	/nfs/dbraw/zinc/53/37/28/938533728.db2.gz	XLCRDJLMEPPKMC-CABCVRRESA-N	1	0	351.401	1.468	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCOc2cccc(F)c2)C[C@@H]1n1ccnn1	ZINC001129884908	938539290	/nfs/dbraw/zinc/53/92/90/938539290.db2.gz	WLKOJMPNHMOEDI-MSOLQXFVSA-N	1	0	371.416	1.251	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c(C)[nH]nc2Cl)C[C@@H]1n1ccnn1	ZINC001129892106	938542667	/nfs/dbraw/zinc/54/26/67/938542667.db2.gz	IILKHXNIRVRNBG-OLZOCXBDSA-N	1	0	363.853	1.585	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cn2ccc(C)n2)C[C@@H]1n1ccnn1	ZINC001129872051	938545009	/nfs/dbraw/zinc/54/50/09/938545009.db2.gz	RIFGKYMTEHTXHU-JQHSSLGASA-N	1	0	371.489	1.427	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2onc(C)c2C)C[C@@H]1n1ccnn1	ZINC001129902679	938547245	/nfs/dbraw/zinc/54/72/45/938547245.db2.gz	YFEUEBWZZKTIFC-WQVCFCJDSA-N	1	0	358.446	1.893	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2cnc(C)c2)C[C@@H]1n1ccnn1	ZINC001129910504	938550314	/nfs/dbraw/zinc/55/03/14/938550314.db2.gz	WIUPGHYEMKYZDM-CVEARBPZSA-N	1	0	357.462	1.136	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cccc(CC)n2)C[C@@H]1n1ccnn1	ZINC001129898552	938559008	/nfs/dbraw/zinc/55/90/08/938559008.db2.gz	WMPWCMJLNKGFHY-MSOLQXFVSA-N	1	0	370.457	1.093	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc3c2O[C@@H](C)C3)C[C@@H]1n1ccnn1	ZINC001129936622	938563753	/nfs/dbraw/zinc/56/37/53/938563753.db2.gz	HTKNGQQRRORHNR-QGTPRVQTSA-N	1	0	365.437	1.280	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ncc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001129939406	938565377	/nfs/dbraw/zinc/56/53/77/938565377.db2.gz	DXUNQGFPCFGGBG-SJORKVTESA-N	1	0	354.458	1.911	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2C(C)C)C[C@@H]1n1ccnn1	ZINC001129921036	938568303	/nfs/dbraw/zinc/56/83/03/938568303.db2.gz	LOWGSVQFRAVVRB-CVEARBPZSA-N	1	0	357.462	1.746	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3cnccc3o2)C[C@@H]1n1ccnn1	ZINC001129925306	938570864	/nfs/dbraw/zinc/57/08/64/938570864.db2.gz	ZEMJTMRRQQKJFD-CABCVRRESA-N	1	0	350.382	1.098	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(Cl)ccc2F)C[C@@H]1n1ccnn1	ZINC001129926714	938571094	/nfs/dbraw/zinc/57/10/94/938571094.db2.gz	CLIYBPALJQIOAW-CVEARBPZSA-N	1	0	361.808	1.749	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(OC)c(F)c2)C[C@@H]1n1ccnn1	ZINC001129927152	938571355	/nfs/dbraw/zinc/57/13/55/938571355.db2.gz	OODUFWIGQCRWGE-SJORKVTESA-N	1	0	371.416	1.033	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)nc2)C[C@@H]1n1ccnn1	ZINC001129927231	938571429	/nfs/dbraw/zinc/57/14/29/938571429.db2.gz	QXEGQYPFUUNWQV-CVEARBPZSA-N	1	0	356.430	1.303	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(COC)c2)C[C@@H]1n1ccnn1	ZINC001129928587	938571982	/nfs/dbraw/zinc/57/19/82/938571982.db2.gz	ALUGWQYYHILDMT-MSOLQXFVSA-N	1	0	353.426	1.103	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001129930325	938572764	/nfs/dbraw/zinc/57/27/64/938572764.db2.gz	DGUHVKYICXFOIO-JQHSSLGASA-N	1	0	355.442	1.411	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1	ZINC001086626334	938574676	/nfs/dbraw/zinc/57/46/76/938574676.db2.gz	HWZLRYCSQNGBOY-KSZLIROESA-N	1	0	354.454	1.137	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]([NH2+]CCOc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129959119	938577942	/nfs/dbraw/zinc/57/79/42/938577942.db2.gz	HUGFLMDRGNNDCQ-MSOLQXFVSA-N	1	0	369.469	1.911	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H]([NH2+]CCC[C@H](C)O)[C@@H](n2ccnn2)C1	ZINC001129964165	938579851	/nfs/dbraw/zinc/57/98/51/938579851.db2.gz	ZOHLPIDELZHBGS-KSZLIROESA-N	1	0	361.490	1.364	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1	ZINC001086626711	938586684	/nfs/dbraw/zinc/58/66/84/938586684.db2.gz	BKLGNQUTOZBYMQ-IXDOHACOSA-N	1	0	355.438	1.200	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@@H]1n1ccnn1	ZINC001129978131	938593648	/nfs/dbraw/zinc/59/36/48/938593648.db2.gz	RURGDZRBPDTEPH-SOLBZPMBSA-N	1	0	367.469	1.719	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3ccccc32)C[C@@H]1n1ccnn1	ZINC001129982333	938597205	/nfs/dbraw/zinc/59/72/05/938597205.db2.gz	DPSOJFADUBPLDK-OTWHNJEPSA-N	1	0	351.454	1.926	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCOCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001129982614	938597284	/nfs/dbraw/zinc/59/72/84/938597284.db2.gz	FXJXLASMNVEOCA-MOPGFXCFSA-N	1	0	367.453	1.250	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3cccnc32)C[C@@H]1n1ccnn1	ZINC001129983240	938598055	/nfs/dbraw/zinc/59/80/55/938598055.db2.gz	TWIIOKAQNUHUAK-KSZLIROESA-N	1	0	366.469	1.711	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H]([NH2+]CC#CCOC)[C@@H](n3ccnn3)C2)CC1	ZINC001129994658	938603496	/nfs/dbraw/zinc/60/34/96/938603496.db2.gz	ZTDIYCFZMFGHMD-MSOLQXFVSA-N	1	0	357.458	1.016	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H]([NH2+]CCOC(C)C)[C@@H](n3ccnn3)C2)CC1	ZINC001129994635	938603550	/nfs/dbraw/zinc/60/35/50/938603550.db2.gz	YVPMXAYYKGFDOI-MSOLQXFVSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccnc(OCC)c2)C[C@@H]1n1ccnn1	ZINC001130002809	938609257	/nfs/dbraw/zinc/60/92/57/938609257.db2.gz	SBXHEGXTKGJQHP-SJORKVTESA-N	1	0	370.457	1.693	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]([NH2+]Cc2cn(C)nc2C)[C@@H](n2ccnn2)C1	ZINC001129987124	938610229	/nfs/dbraw/zinc/61/02/29/938610229.db2.gz	ZKVJZRVDMAOZOP-SJORKVTESA-N	1	0	357.462	1.218	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]([NH2+]CCc2cnn(CC)c2)[C@@H](n2ccnn2)C1	ZINC001129987100	938610384	/nfs/dbraw/zinc/61/03/84/938610384.db2.gz	YCQPKXTVEJAKQJ-MSOLQXFVSA-N	1	0	371.489	1.435	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCC[C@](C)(O)c2ccccc2)CC1	ZINC000804893679	938610992	/nfs/dbraw/zinc/61/09/92/938610992.db2.gz	HBJPGIDTOMMVNT-FQEVSTJZSA-N	1	0	359.470	1.167	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1n1ccnn1	ZINC001130012069	938614769	/nfs/dbraw/zinc/61/47/69/938614769.db2.gz	MWFCLUJYJGJPDU-CABCVRRESA-N	1	0	368.913	1.350	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2noc3c2CCCC3)C[C@@H]1n1ccnn1	ZINC001130014972	938616163	/nfs/dbraw/zinc/61/61/63/938616163.db2.gz	KJHOWEQDYDKFPO-CVEARBPZSA-N	1	0	370.457	1.766	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(OC)c2C)C[C@@H]1n1ccnn1	ZINC001130020671	938619535	/nfs/dbraw/zinc/61/95/35/938619535.db2.gz	RCFXAZNELWZXRN-SJORKVTESA-N	1	0	353.426	1.274	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2CCC(F)(F)CC2)C[C@@H]1n1ccnn1	ZINC001130020782	938619868	/nfs/dbraw/zinc/61/98/68/938619868.db2.gz	XEHBOGIBGUCFOO-CABCVRRESA-N	1	0	351.401	1.468	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cncc(OC)n2)C[C@@H]1n1ccnn1	ZINC001130027950	938630193	/nfs/dbraw/zinc/63/01/93/938630193.db2.gz	DKGGKFGRPWHPEC-BMFZPTHFSA-N	1	0	371.445	1.087	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)COCc2ccccc2C)C[C@@H]1n1ccnn1	ZINC001130032333	938633082	/nfs/dbraw/zinc/63/30/82/938633082.db2.gz	BZALOWPXSYGDTB-MOPGFXCFSA-N	1	0	369.469	1.721	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)nc2OC)C[C@@H]1n1ccnn1	ZINC001130033133	938633714	/nfs/dbraw/zinc/63/37/14/938633714.db2.gz	VWSJANRTRPKZJP-SJORKVTESA-N	1	0	370.457	1.612	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCOC2)C[C@@H]1n1ccnn1	ZINC001130057239	938640839	/nfs/dbraw/zinc/64/08/39/938640839.db2.gz	PSSOHDVBIIMSDD-ZIFCJYIRSA-N	1	0	361.490	1.793	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCOc3ccccc32)C[C@@H]1n1ccnn1	ZINC001130043816	938642716	/nfs/dbraw/zinc/64/27/16/938642716.db2.gz	BBNOIBNFKRWMLT-KURKYZTESA-N	1	0	365.437	1.209	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(OC)c2F)C[C@@H]1n1ccnn1	ZINC001130049952	938648153	/nfs/dbraw/zinc/64/81/53/938648153.db2.gz	BBUJDRZRISWWDO-CABCVRRESA-N	1	0	357.389	1.104	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3[nH]c(C)nc3c2)C[C@@H]1n1ccnn1	ZINC001130066624	938655371	/nfs/dbraw/zinc/65/53/71/938655371.db2.gz	HLZOAQYPPWOCBZ-MSOLQXFVSA-N	1	0	365.441	1.694	20	30		FDEDRO
N#Cc1cccc(OCC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)c1	ZINC000747226681	938659982	/nfs/dbraw/zinc/65/99/82/938659982.db2.gz	RQNULCTVSHXCHG-UHFFFAOYSA-N	1	0	357.454	1.898	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnc(C3CC3)s2)C[C@@H]1n1ccnn1	ZINC001130100066	938682745	/nfs/dbraw/zinc/68/27/45/938682745.db2.gz	XCACWHMOYUIQNA-KGLIPLIRSA-N	1	0	356.455	1.291	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2cncn2C)C[C@@H]1n1ccnn1	ZINC001130109935	938688674	/nfs/dbraw/zinc/68/86/74/938688674.db2.gz	LUWKGKAAMZWJEJ-NXHRZFHOSA-N	1	0	371.489	1.341	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2ccccc2F)C[C@@H]1n1ccnn1	ZINC001130112767	938692611	/nfs/dbraw/zinc/69/26/11/938692611.db2.gz	QOLYVQKMSXTVJG-MSOLQXFVSA-N	1	0	357.433	1.968	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)CCC3)C[C@@H]1n1ccnn1	ZINC001130123100	938705127	/nfs/dbraw/zinc/70/51/27/938705127.db2.gz	GNJITUPFVCSIJI-MOPGFXCFSA-N	1	0	351.454	1.998	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C[C@@H]1n1ccnn1	ZINC001130146692	938706700	/nfs/dbraw/zinc/70/67/00/938706700.db2.gz	WJWOCIIQNLORSR-PTQIDZKGSA-N	1	0	355.486	1.878	20	30		FDEDRO
C=CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCOC)[C@@H](n2ccnn2)C1)c1ccccc1	ZINC001130132593	938707397	/nfs/dbraw/zinc/70/73/97/938707397.db2.gz	HDAVPZZLINRPKD-QRVBRYPASA-N	1	0	369.469	1.626	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](OCC)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130148071	938712322	/nfs/dbraw/zinc/71/23/22/938712322.db2.gz	DIKQEPBCWWAYRA-CEXWTWQISA-N	1	0	369.469	1.974	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CCCCCOC)[C@@H](n2ccnn2)C1	ZINC001130151495	938715931	/nfs/dbraw/zinc/71/59/31/938715931.db2.gz	SYUJGQPJZZECRI-ZACQAIPSSA-N	1	0	365.478	1.027	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)COCCC=C)C[C@@H]1n1ccnn1	ZINC001130151375	938715993	/nfs/dbraw/zinc/71/59/93/938715993.db2.gz	OLSWLUXXRHVQMD-MSOLQXFVSA-N	1	0	361.490	1.959	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2ccc(C)s2)C[C@@H]1n1ccnn1	ZINC001130155366	938718361	/nfs/dbraw/zinc/71/83/61/938718361.db2.gz	CHAALRLXVUJEFG-SJORKVTESA-N	1	0	357.483	1.646	20	30		FDEDRO
C#CC[C@@H](CC(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1)c1ccccc1	ZINC001130158393	938719803	/nfs/dbraw/zinc/71/98/03/938719803.db2.gz	HQYBQAOHKVWJIZ-OTWHNJEPSA-N	1	0	369.444	1.786	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCc2ccc(C)s2)C[C@@H]1n1ccnn1	ZINC001130158554	938719855	/nfs/dbraw/zinc/71/98/55/938719855.db2.gz	LBZZAXYOLHIDJQ-SJORKVTESA-N	1	0	357.483	1.646	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCc3ccccc32)C[C@@H]1n1ccnn1	ZINC001130158803	938720152	/nfs/dbraw/zinc/72/01/52/938720152.db2.gz	RYAUGQKSJJRLNK-DYXWJJEUSA-N	1	0	363.465	1.547	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccc(C)c2)[nH]1	ZINC001130188010	938734578	/nfs/dbraw/zinc/73/45/78/938734578.db2.gz	USBBVOSTIZWDSB-HOTGVXAUSA-N	1	0	355.442	1.691	20	30		FDEDRO
C=CCOCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCC(C)C)[nH]1	ZINC001130203250	938744845	/nfs/dbraw/zinc/74/48/45/938744845.db2.gz	VFEWJOMIBJPHHM-GJZGRUSLSA-N	1	0	365.478	1.132	20	30		FDEDRO
C#CCCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCC=C)[nH]1	ZINC001130204659	938745439	/nfs/dbraw/zinc/74/54/39/938745439.db2.gz	BXUJQTHYAYHREI-HOTGVXAUSA-N	1	0	359.474	1.653	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)COC(C)(C)C)[nH]1	ZINC001130205349	938745918	/nfs/dbraw/zinc/74/59/18/938745918.db2.gz	XCMPFMGTZNKPSJ-KBPBESRZSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)COC(C)(C)C)[nH]1	ZINC001130205342	938746119	/nfs/dbraw/zinc/74/61/19/938746119.db2.gz	WZANCQOCOSRQCP-KBPBESRZSA-N	1	0	365.478	1.274	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccoc2CC)[nH]1	ZINC001130209853	938747947	/nfs/dbraw/zinc/74/79/47/938747947.db2.gz	ODAHILANDHSAOB-BBRMVZONSA-N	1	0	371.441	1.376	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C#CC2CC2)[nH]1	ZINC001130213074	938749908	/nfs/dbraw/zinc/74/99/08/938749908.db2.gz	SHRCDSYKIVCDKL-PVAVHDDUSA-N	1	0	371.485	1.651	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(C)cc2F)n1	ZINC001130240313	938755827	/nfs/dbraw/zinc/75/58/27/938755827.db2.gz	NFPOCJWJSDTLKP-HOCLYGCPSA-N	1	0	371.416	1.278	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC23CC3)[nH]1	ZINC001130239894	938756210	/nfs/dbraw/zinc/75/62/10/938756210.db2.gz	BUHWACFOZNIQPX-KKUMJFAQSA-N	1	0	359.474	1.649	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H]2C=CCCC2)n1	ZINC001130220860	938756536	/nfs/dbraw/zinc/75/65/36/938756536.db2.gz	OYJOCXKGLJEAMX-ULQDDVLXSA-N	1	0	371.485	1.653	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C3CC3)CC2)[nH]1	ZINC001130223109	938757199	/nfs/dbraw/zinc/75/71/99/938757199.db2.gz	MGKDKNGTSMBOKV-GJZGRUSLSA-N	1	0	357.458	1.097	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H]2C[C@H]2C2CC2)[nH]1	ZINC001130223426	938757508	/nfs/dbraw/zinc/75/75/08/938757508.db2.gz	SZFHNIVYEKFMIU-QAETUUGQSA-N	1	0	371.485	1.343	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)CC(F)F)[nH]1	ZINC001130224908	938758993	/nfs/dbraw/zinc/75/89/93/938758993.db2.gz	IKDLEBHFJWNPSL-AGIUHOORSA-N	1	0	371.432	1.750	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@]2(C)C=CCC2)[nH]1	ZINC001130227685	938761578	/nfs/dbraw/zinc/76/15/78/938761578.db2.gz	KCIGHKBMIXKUGA-YZVOILCLSA-N	1	0	359.474	1.815	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H]2CC=CCC2)[nH]1	ZINC001130230443	938764246	/nfs/dbraw/zinc/76/42/46/938764246.db2.gz	WFKLFBNGEGOPQK-PMPSAXMXSA-N	1	0	359.474	1.815	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCF)[nH]1	ZINC001130233124	938765455	/nfs/dbraw/zinc/76/54/55/938765455.db2.gz	YSIQNVKXXJACNF-KKUMJFAQSA-N	1	0	367.469	1.845	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2occc2C)n1	ZINC001130234875	938766315	/nfs/dbraw/zinc/76/63/15/938766315.db2.gz	NBMLRZXHHOGPNZ-HOCLYGCPSA-N	1	0	371.441	1.050	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CCC(=C)CC2)n1	ZINC001130235074	938766619	/nfs/dbraw/zinc/76/66/19/938766619.db2.gz	SWEWVWYRLVHIJQ-HOTGVXAUSA-N	1	0	357.458	1.263	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@H]2CC)n1	ZINC001130238203	938767669	/nfs/dbraw/zinc/76/76/69/938767669.db2.gz	YQVOCCBQKCGKCW-RQJABVFESA-N	1	0	367.881	1.682	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2occc2CC)n1	ZINC001130242159	938769183	/nfs/dbraw/zinc/76/91/83/938769183.db2.gz	JNWPMULUGYHWJQ-GJZGRUSLSA-N	1	0	371.441	1.376	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2C2CC2)[nH]1	ZINC001130242266	938769543	/nfs/dbraw/zinc/76/95/43/938769543.db2.gz	OUKFGANNEKFGDU-NXOAAHMSSA-N	1	0	373.501	1.895	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC(CC)CC)n1	ZINC001130244326	938770619	/nfs/dbraw/zinc/77/06/19/938770619.db2.gz	GYOHXDOIQBHKKN-HOTGVXAUSA-N	1	0	361.490	1.733	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)(C)C)n1	ZINC001130248987	938773272	/nfs/dbraw/zinc/77/32/72/938773272.db2.gz	DFUXCDBQVXGHNH-RYUDHWBXSA-N	1	0	355.870	1.682	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)COCCC=C)[nH]1	ZINC001130253514	938775362	/nfs/dbraw/zinc/77/53/62/938775362.db2.gz	ADVSKWVMFWSVJW-GJZGRUSLSA-N	1	0	363.462	1.052	20	30		FDEDRO
C=C(C)CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCOC)CC1	ZINC001130266625	938782698	/nfs/dbraw/zinc/78/26/98/938782698.db2.gz	IRPHGGKRMVDLPA-APWZRJJASA-N	1	0	351.491	1.465	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[C@@H]2CCCO2)CC1	ZINC001130274330	938786541	/nfs/dbraw/zinc/78/65/41/938786541.db2.gz	HMENUCBOBLYGMF-QKLQHJQFSA-N	1	0	361.486	1.054	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C(C)C)CC1	ZINC001130278986	938789391	/nfs/dbraw/zinc/78/93/91/938789391.db2.gz	OEAAXQIJAHRBAI-WDYCEAGBSA-N	1	0	365.518	1.851	20	30		FDEDRO
CCOCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C#CC(C)C)CC1	ZINC001130290568	938795078	/nfs/dbraw/zinc/79/50/78/938795078.db2.gz	DZBYVACNMWHFBI-XLIONFOSSA-N	1	0	363.502	1.158	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](CCC)OC)CC1	ZINC001130295854	938798365	/nfs/dbraw/zinc/79/83/65/938798365.db2.gz	VNNWJKINFZLLGM-AOIWGVFYSA-N	1	0	363.502	1.300	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCOC)CC1	ZINC001130295909	938798567	/nfs/dbraw/zinc/79/85/67/938798567.db2.gz	XIOCVFJAFGUJGD-WDYCEAGBSA-N	1	0	365.518	1.711	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)o2)C[C@H]1c1cn(C)cn1	ZINC001130490445	938880997	/nfs/dbraw/zinc/88/09/97/938880997.db2.gz	ICHOYPZHLMWMKQ-DOTOQJQBSA-N	1	0	356.426	1.169	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC[C@@H]2CCOC2)C1	ZINC001130578111	939880516	/nfs/dbraw/zinc/88/05/16/939880516.db2.gz	FBTYOJKRRHTEFK-ZIFCJYIRSA-N	1	0	358.486	1.534	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2cccc(-c3nn[nH]n3)c2)CC1	ZINC000819750220	945278948	/nfs/dbraw/zinc/27/89/48/945278948.db2.gz	AFMNZQUHGXFVFO-CYBMUJFWSA-N	1	0	355.446	1.877	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1c1cn(C)cn1	ZINC001130586912	939886988	/nfs/dbraw/zinc/88/69/88/939886988.db2.gz	CLJNLNXNNXNSLW-SOLBZPMBSA-N	1	0	360.502	1.964	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1c1cn(C)cn1	ZINC001130593382	939900283	/nfs/dbraw/zinc/90/02/83/939900283.db2.gz	ZKQODXVMGIYAGC-FUHWJXTLSA-N	1	0	356.470	1.003	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(Cl)cnn2C)C[C@H]1c1cn(C)cn1	ZINC001130596527	939903637	/nfs/dbraw/zinc/90/36/37/939903637.db2.gz	HOKKRHPVCPCLBM-SWLSCSKDSA-N	1	0	362.865	1.581	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CC=CCC2)C[C@H]1c1cn(C)cn1	ZINC001130599155	939904659	/nfs/dbraw/zinc/90/46/59/939904659.db2.gz	LIHBYSCCKGCMTG-DSKINZAPSA-N	1	0	370.497	1.700	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC3CC3)C2)CCOCC1	ZINC001130610918	939908346	/nfs/dbraw/zinc/90/83/46/939908346.db2.gz	VGVMRMRXQWQFGN-PKOBYXMFSA-N	1	0	370.497	1.534	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnnn2CC)C1	ZINC001130602859	939914490	/nfs/dbraw/zinc/91/44/90/939914490.db2.gz	QNYBQDWRIGXQJL-FUHWJXTLSA-N	1	0	371.489	1.472	20	30		FDEDRO
C#CC[C@@H](Cc1ccccc1)NC(=O)NCC(C)(C)N1CC[NH+](C)CC1	ZINC000806361256	939914666	/nfs/dbraw/zinc/91/46/66/939914666.db2.gz	JPEYGWDLMNFTMH-IBGZPJMESA-N	1	0	356.514	1.946	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnn3c2CCC3)C[C@H]1c1cn(C)cn1	ZINC001130604479	939915585	/nfs/dbraw/zinc/91/55/85/939915585.db2.gz	BWOYYRLZYORONL-FUHWJXTLSA-N	1	0	368.485	1.727	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2conc2C(C)C)C[C@H]1c1cn(C)cn1	ZINC001130607696	939919344	/nfs/dbraw/zinc/91/93/44/939919344.db2.gz	JVLLQMUPOHVHLJ-WMLDXEAASA-N	1	0	355.442	1.753	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c(C)nnn2CC)C[C@H]1c1cn(C)cn1	ZINC001130607904	939919698	/nfs/dbraw/zinc/91/96/98/939919698.db2.gz	QOBXGLLUEPYXHU-DOTOQJQBSA-N	1	0	371.489	1.504	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C3CC3)cnn2C)C[C@H]1c1cn(C)cn1	ZINC001130607836	939919711	/nfs/dbraw/zinc/91/97/11/939919711.db2.gz	MYFDZHBAWODPDK-FUHWJXTLSA-N	1	0	366.469	1.252	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CCCO1	ZINC000806425815	939922687	/nfs/dbraw/zinc/92/26/87/939922687.db2.gz	PEKVWXRBXZBCMK-CEXWTWQISA-N	1	0	369.465	1.064	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)nc2)C[C@H]1c1cn(C)cn1	ZINC001130625909	939923288	/nfs/dbraw/zinc/92/32/88/939923288.db2.gz	BRWOODILGDEQII-FUHWJXTLSA-N	1	0	369.469	1.988	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cc(F)c[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130628276	939927659	/nfs/dbraw/zinc/92/76/59/939927659.db2.gz	ISSMEKPXAGVAFD-WMLDXEAASA-N	1	0	361.421	1.288	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3cnccc3o2)C[C@H]1c1cn(C)cn1	ZINC001130621718	939931356	/nfs/dbraw/zinc/93/13/56/939931356.db2.gz	ANEOFCCHFJFZTD-DOTOQJQBSA-N	1	0	363.421	1.782	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccn3nccc23)C[C@H]1c1cn(C)cn1	ZINC001130621771	939931381	/nfs/dbraw/zinc/93/13/81/939931381.db2.gz	DCCLRMSBLXZOEW-FUHWJXTLSA-N	1	0	362.437	1.289	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(=O)[nH]c2)C[C@H]1c1cn(C)cn1	ZINC001130632579	939935899	/nfs/dbraw/zinc/93/58/99/939935899.db2.gz	HDDUCKYQAWGTFK-FUHWJXTLSA-N	1	0	369.469	1.614	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCn2nc(C)cc2C)C[C@H]1c1cn(C)cn1	ZINC001130637912	939939779	/nfs/dbraw/zinc/93/97/79/939939779.db2.gz	RQEOBQJFQCWURY-PKOBYXMFSA-N	1	0	368.485	1.231	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH]ncc32)C[C@H]1c1cn(C)cn1	ZINC001130637896	939939845	/nfs/dbraw/zinc/93/98/45/939939845.db2.gz	QVAAJLNEGGKKNB-QFBILLFUSA-N	1	0	362.437	1.518	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2csc(=O)[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130649260	939944271	/nfs/dbraw/zinc/94/42/71/939944271.db2.gz	CONCSEIMQVLBGS-GXTWGEPZSA-N	1	0	361.471	1.746	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(=O)NC(C)C)C1	ZINC001130664347	939957389	/nfs/dbraw/zinc/95/73/89/939957389.db2.gz	OWUHWUXEIHMGHY-DOTOQJQBSA-N	1	0	361.490	1.185	20	30		FDEDRO
CCCC1(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC#CCOC)C2)CC1	ZINC001130667393	939969455	/nfs/dbraw/zinc/96/94/55/939969455.db2.gz	YUZQSBYRJANJKZ-FUHWJXTLSA-N	1	0	358.486	1.534	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]C/C=C\Cl)C2)c1	ZINC001130672496	939971469	/nfs/dbraw/zinc/97/14/69/939971469.db2.gz	QIXAHLJRISYARM-IMBPEULASA-N	1	0	369.856	1.747	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)NC(C)=O)C[C@H]1c1cn(C)cn1	ZINC001130685244	939975049	/nfs/dbraw/zinc/97/50/49/939975049.db2.gz	KOGVJEONMQVAHB-LZLYRXPVSA-N	1	0	361.490	1.185	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccnc(N(C)C)c2)C[C@H]1c1cn(C)cn1	ZINC001130685533	939975825	/nfs/dbraw/zinc/97/58/25/939975825.db2.gz	XXEBVHIBNVYJLE-FUHWJXTLSA-N	1	0	368.485	1.655	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCC(=C)C)C2)nn1	ZINC001130687467	939977098	/nfs/dbraw/zinc/97/70/98/939977098.db2.gz	BEYUCWKSVYTLJH-DOTOQJQBSA-N	1	0	369.473	1.362	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCCOC)C[C@H]1c1cn(C)cn1	ZINC001130687526	939977125	/nfs/dbraw/zinc/97/71/25/939977125.db2.gz	FBQRYWFGSLJICF-XYJFISCASA-N	1	0	364.490	1.322	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccnc(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130692316	939980957	/nfs/dbraw/zinc/98/09/57/939980957.db2.gz	DPKHZYNAMBVIHO-PKOBYXMFSA-N	1	0	369.469	1.524	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC23CCC3)C[C@H]1c1cn(C)cn1	ZINC001130682494	939982407	/nfs/dbraw/zinc/98/24/07/939982407.db2.gz	BKRRUFGKRWWKCB-LZLYRXPVSA-N	1	0	356.470	1.144	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)CCO3)C[C@H]1c1cn(C)cn1	ZINC001130682759	939982674	/nfs/dbraw/zinc/98/26/74/939982674.db2.gz	JKNXFZAIRCPLJB-PKOBYXMFSA-N	1	0	364.449	1.576	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc(OC)n2)C[C@H]1c1cn(C)cn1	ZINC001130704365	939985041	/nfs/dbraw/zinc/98/50/41/939985041.db2.gz	MDWLHBSCEQELDQ-WMLDXEAASA-N	1	0	355.442	1.598	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cnn(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130704503	939985386	/nfs/dbraw/zinc/98/53/86/939985386.db2.gz	QZFDBZYLVFCZCX-FUHWJXTLSA-N	1	0	368.485	1.039	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn(CC)c2C)C[C@H]1c1cn(C)cn1	ZINC001130698325	939992313	/nfs/dbraw/zinc/99/23/13/939992313.db2.gz	GHIQJBIQLYDDGT-FUHWJXTLSA-N	1	0	354.458	1.166	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2nccs2)C[C@H]1c1cn(C)cn1	ZINC001130698718	939992743	/nfs/dbraw/zinc/99/27/43/939992743.db2.gz	QSJJDPAQMLNCBV-DZGCQCFKSA-N	1	0	361.471	1.277	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCn2nc(C)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130709693	939997636	/nfs/dbraw/zinc/99/76/36/939997636.db2.gz	BGLKQYNRKZRKSZ-FUHWJXTLSA-N	1	0	371.489	1.179	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2coc(CCC)n2)C[C@H]1c1cn(C)cn1	ZINC001130712738	939999576	/nfs/dbraw/zinc/99/95/76/939999576.db2.gz	JOCPWEQEASSNLF-GOEBONIOSA-N	1	0	355.442	1.582	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(Cl)cn2)C[C@H]1c1cn(C)cn1	ZINC001130717313	940001217	/nfs/dbraw/zinc/00/12/17/940001217.db2.gz	GOZDMUKRFPWETH-WMLDXEAASA-N	1	0	357.845	1.690	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]C[C@@H](C)OC)C2)cn1	ZINC001130714841	940006581	/nfs/dbraw/zinc/00/65/81/940006581.db2.gz	LOURNWVEXKNXJG-DKSSEZFCSA-N	1	0	367.453	1.029	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ncoc2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130708329	940014130	/nfs/dbraw/zinc/01/41/30/940014130.db2.gz	JKCJILRIUUBRCK-GOEBONIOSA-N	1	0	353.426	1.507	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCOc2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130728844	940017726	/nfs/dbraw/zinc/01/77/26/940017726.db2.gz	OFRKHTOYEHAOLR-AZUAARDMSA-N	1	0	366.465	1.797	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)cc2)C[C@H]1c1cn(C)cn1	ZINC001130717664	940018327	/nfs/dbraw/zinc/01/83/27/940018327.db2.gz	OWPPYJYZJQOYCT-PKOBYXMFSA-N	1	0	352.438	1.650	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ncccc2OC)C[C@H]1c1cn(C)cn1	ZINC001130719277	940022570	/nfs/dbraw/zinc/02/25/70/940022570.db2.gz	HAXPGVUXYMKTAH-GOEBONIOSA-N	1	0	353.426	1.045	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130721612	940025446	/nfs/dbraw/zinc/02/54/46/940025446.db2.gz	KRXZSUCWPMVRLR-IMFGXOCKSA-N	1	0	366.465	1.795	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cncnc2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130721824	940026079	/nfs/dbraw/zinc/02/60/79/940026079.db2.gz	QREJFBVGCGNKJZ-FUHWJXTLSA-N	1	0	364.453	1.309	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](OC)C2CCCC2)C[C@H]1c1cn(C)cn1	ZINC001130723476	940028007	/nfs/dbraw/zinc/02/80/07/940028007.db2.gz	LWZZKJDEPMXAQM-UHOSZYNNSA-N	1	0	358.486	1.533	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cncnc2CC)C[C@H]1c1cn(C)cn1	ZINC001130725962	940030559	/nfs/dbraw/zinc/03/05/59/940030559.db2.gz	ITJRHSRTACXGKO-QFBILLFUSA-N	1	0	368.485	1.937	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3n[nH]nc3c2)C[C@H]1c1cn(C)cn1	ZINC001130726385	940031371	/nfs/dbraw/zinc/03/13/71/940031371.db2.gz	VNXAEBUZRVQMRR-KBXCAEBGSA-N	1	0	365.441	1.465	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)cn2)C[C@H]1c1cn(C)cn1	ZINC001130736974	940038445	/nfs/dbraw/zinc/03/84/45/940038445.db2.gz	RVSFHBRKYCSURH-QFBILLFUSA-N	1	0	366.469	1.102	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOCC=C)C1	ZINC001130741539	940042623	/nfs/dbraw/zinc/04/26/23/940042623.db2.gz	HTDVDBBKCUEWIC-FUHWJXTLSA-N	1	0	362.474	1.099	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cccnc3)n2)O1	ZINC001130744407	940048197	/nfs/dbraw/zinc/04/81/97/940048197.db2.gz	FTTWBBYEVAPIID-JKSUJKDBSA-N	1	0	370.457	1.906	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC23CCOCC3)C[C@H]1c1cn(C)cn1	ZINC001130744986	940049308	/nfs/dbraw/zinc/04/93/08/940049308.db2.gz	PDCZHMQSXHGRLL-XYJFISCASA-N	1	0	356.470	1.144	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC3CC3)n2)O1	ZINC001130756346	940077810	/nfs/dbraw/zinc/07/78/10/940077810.db2.gz	BIPRCXMXKRLPNI-LSDHHAIUSA-N	1	0	363.462	1.233	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCc3ccco3)n2)O1	ZINC001130756696	940080600	/nfs/dbraw/zinc/08/06/00/940080600.db2.gz	VKUAHNMKKJWJDB-LSDHHAIUSA-N	1	0	357.414	1.090	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)/C=C(/C)C3CC3)n2)O1	ZINC001130759598	940086379	/nfs/dbraw/zinc/08/63/79/940086379.db2.gz	ALLNXMCFONFFNW-WLDSXTBVSA-N	1	0	357.458	1.610	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cccc(C)n3)n2)O1	ZINC001130759644	940086548	/nfs/dbraw/zinc/08/65/48/940086548.db2.gz	CPLWVWPMRKOMQA-DZGCQCFKSA-N	1	0	356.430	1.434	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C)c(C)o3)n2)O1	ZINC001130775296	940092830	/nfs/dbraw/zinc/09/28/30/940092830.db2.gz	QYWWNAMYQTXZCU-LSDHHAIUSA-N	1	0	371.441	1.778	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H](C)C(C)C)n2)O1	ZINC001130765011	940094396	/nfs/dbraw/zinc/09/43/96/940094396.db2.gz	CZMQBPNPZQKVTO-HRCADAONSA-N	1	0	361.490	1.936	20	30		FDEDRO
C=CCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C[C@H](C)OC)O2)n[nH]1	ZINC001130767884	940102788	/nfs/dbraw/zinc/10/27/88/940102788.db2.gz	VISFPOLBBGPNAW-MELADBBJSA-N	1	0	351.451	1.232	20	30		FDEDRO
C=CCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCOCC)O2)n[nH]1	ZINC001130767988	940103108	/nfs/dbraw/zinc/10/31/08/940103108.db2.gz	XJVMZVMLLPGIJA-LSDHHAIUSA-N	1	0	365.478	1.623	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)COC)n2)O1	ZINC001130769331	940105694	/nfs/dbraw/zinc/10/56/94/940105694.db2.gz	CUYIUKJKSRBTEX-WCFLWFBJSA-N	1	0	371.869	1.266	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C#N)c[nH]3)n2)O1	ZINC001130769822	940107902	/nfs/dbraw/zinc/10/79/02/940107902.db2.gz	PUOCLLYMRMKRMO-DZGCQCFKSA-N	1	0	369.429	1.320	20	30		FDEDRO
C[C@H](C#N)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C/C=C\Cl)O2)n[nH]1	ZINC001130769990	940108302	/nfs/dbraw/zinc/10/83/02/940108302.db2.gz	SVIPTCIIUMZSNA-SKAVNHFNSA-N	1	0	352.826	1.143	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(C)CC3)n2)O1	ZINC001130785724	940120496	/nfs/dbraw/zinc/12/04/96/940120496.db2.gz	YAKDZKYSQNYNIZ-UONOGXRCSA-N	1	0	363.462	1.233	20	30		FDEDRO
C#CCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C[C@@H](F)CC)O2)n[nH]1	ZINC001130778123	940131086	/nfs/dbraw/zinc/13/10/86/940131086.db2.gz	GTYZAXPABBWMSU-SOUVJXGZSA-N	1	0	365.453	1.782	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC3(F)F)n2)O1	ZINC001130778290	940131698	/nfs/dbraw/zinc/13/16/98/940131698.db2.gz	PCOLIUCSBYDZEO-QJPTWQEYSA-N	1	0	355.389	1.462	20	30		FDEDRO
C#CCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCF)O2)n[nH]1	ZINC001130778448	940132303	/nfs/dbraw/zinc/13/23/03/940132303.db2.gz	YIJMGIBWCJDUMO-UONOGXRCSA-N	1	0	351.426	1.394	20	30		FDEDRO
CC(C)C#CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCF)O2)n[nH]1	ZINC001130780835	940135131	/nfs/dbraw/zinc/13/51/31/940135131.db2.gz	FUNXLZLXCMJSEJ-UONOGXRCSA-N	1	0	351.426	1.250	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3CC(C)(C)C3)n2)O1	ZINC001130781288	940137060	/nfs/dbraw/zinc/13/70/60/940137060.db2.gz	WZXYUQHPFODWKX-LSDHHAIUSA-N	1	0	359.474	1.690	20	30		FDEDRO
CC(C)C#CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC3CCC3)O2)n[nH]1	ZINC001130782785	940141797	/nfs/dbraw/zinc/14/17/97/940141797.db2.gz	CYXJMHNBBHKWLG-JKSUJKDBSA-N	1	0	359.474	1.690	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(C#C)cc3)n2)O1	ZINC001130794017	940144742	/nfs/dbraw/zinc/14/47/42/940144742.db2.gz	HZIPSOYNHGEKCR-DLBZAZTESA-N	1	0	363.421	1.159	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC)O2)n[nH]1	ZINC001130794497	940146259	/nfs/dbraw/zinc/14/62/59/940146259.db2.gz	WFBBGGULUIDSOG-PMUMKWKESA-N	1	0	365.478	1.479	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](F)C(C)C)n2)O1	ZINC001130796561	940152432	/nfs/dbraw/zinc/15/24/32/940152432.db2.gz	XYCBTGPNBSHLGX-GZBFAFLISA-N	1	0	353.442	1.801	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3[nH]c(C)cc3C)n2)O1	ZINC001130790319	940164589	/nfs/dbraw/zinc/16/45/89/940164589.db2.gz	SXKLTPRVPLZVPW-UONOGXRCSA-N	1	0	358.446	1.675	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@]34C[C@H]3CCC4)n2)O1	ZINC001130792703	940172075	/nfs/dbraw/zinc/17/20/75/940172075.db2.gz	SWASMXFSTAHFGC-NXEZDXNNSA-N	1	0	359.474	1.997	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC[C@@H](C)O3)n2)O1	ZINC001130804245	940174737	/nfs/dbraw/zinc/17/47/37/940174737.db2.gz	AVRRVFHIIGZFDQ-LXTVHRRPSA-N	1	0	363.462	1.374	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(CF)CCC3)n2)O1	ZINC001130806495	940180650	/nfs/dbraw/zinc/18/06/50/940180650.db2.gz	CNSUXOLVFDENFS-UONOGXRCSA-N	1	0	363.437	1.394	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3C[C@H]3CCC)n2)O1	ZINC001130807152	940181922	/nfs/dbraw/zinc/18/19/22/940181922.db2.gz	QXBPSOIGTMXKDU-QKPAOTATSA-N	1	0	359.474	1.690	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3C[C@H]3C)n2)O1	ZINC001130799690	940194580	/nfs/dbraw/zinc/19/45/80/940194580.db2.gz	SGRMYTSEVQSQBZ-LXTVHRRPSA-N	1	0	363.462	1.089	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccn(C)c3C)n2)O1	ZINC001130802317	940196998	/nfs/dbraw/zinc/19/69/98/940196998.db2.gz	NUKASMLLGPSVQN-GOEBONIOSA-N	1	0	370.457	1.215	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCCC#CC)n2)O1	ZINC001130802439	940197883	/nfs/dbraw/zinc/19/78/83/940197883.db2.gz	URQJQCDEXBLUQI-JKSUJKDBSA-N	1	0	357.458	1.448	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCn3cccc3)n2)O1	ZINC001130813101	940211388	/nfs/dbraw/zinc/21/13/88/940211388.db2.gz	IBBDHTPNMJITQY-JKSUJKDBSA-N	1	0	370.457	1.146	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCC3(C)CC3)n2)O1	ZINC001130816506	940218880	/nfs/dbraw/zinc/21/88/80/940218880.db2.gz	ZRIIRFHBPUVNIU-LSDHHAIUSA-N	1	0	359.474	1.834	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C)n(C)c3C)n2)O1	ZINC001130817330	940221884	/nfs/dbraw/zinc/22/18/84/940221884.db2.gz	MCBUVCDRRSBWSA-GOEBONIOSA-N	1	0	370.457	1.133	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(C)cc3)n2)O1	ZINC001130817237	940221905	/nfs/dbraw/zinc/22/19/05/940221905.db2.gz	HPGVARHOEOSHAD-DLBZAZTESA-N	1	0	367.453	1.876	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3CCC=CCC3)n2)O1	ZINC001130820074	940227145	/nfs/dbraw/zinc/22/71/45/940227145.db2.gz	MYFIVXHRALNYGW-JKSUJKDBSA-N	1	0	357.458	1.610	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(CC)n[nH]2)C[C@H]1c1cncn1C	ZINC001130922238	940319526	/nfs/dbraw/zinc/31/95/26/940319526.db2.gz	BHCXZKOHRMFAAT-NVXWUHKLSA-N	1	0	356.474	1.870	20	30		FDEDRO
CC[C@H](F)C[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@H]1c1cncn1C	ZINC001130920902	940330977	/nfs/dbraw/zinc/33/09/77/940330977.db2.gz	MNOHORKUFWFTEP-BFHYXJOUSA-N	1	0	353.467	1.309	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CCCCOC)C[C@H]1c1cncn1C	ZINC001130930648	940339892	/nfs/dbraw/zinc/33/98/92/940339892.db2.gz	AWKOJYWFEQFJLE-IAGOWNOFSA-N	1	0	364.490	1.323	20	30		FDEDRO
CCC[C@H](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CCOC)C1	ZINC001130930691	940340139	/nfs/dbraw/zinc/34/01/39/940340139.db2.gz	CEMRVQPWQBYFKF-RCCFBDPRSA-N	1	0	360.502	1.780	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC[C@H]2CCCO2)C1	ZINC001130948271	940346705	/nfs/dbraw/zinc/34/67/05/940346705.db2.gz	CQJOEKLKHSFHRT-BRWVUGGUSA-N	1	0	362.474	1.076	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@](C)(O)C2CC2)C[C@H]1c1cncn1C	ZINC001130959329	940364811	/nfs/dbraw/zinc/36/48/11/940364811.db2.gz	KMBIMPUROSBEIP-HLIPFELVSA-N	1	0	360.502	1.821	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(C)ncn2)C[C@H]1c1cncn1C	ZINC001130959602	940365311	/nfs/dbraw/zinc/36/53/11/940365311.db2.gz	QRBHVXPUJCVSRQ-NVXWUHKLSA-N	1	0	354.458	1.683	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2coc(C)n2)C[C@H]1c1cncn1C	ZINC001130971404	940380063	/nfs/dbraw/zinc/38/00/63/940380063.db2.gz	MWCFQRZRLRZPOL-HUUCEWRRSA-N	1	0	359.430	1.117	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccns2)C1	ZINC001130971370	940380258	/nfs/dbraw/zinc/38/02/58/940380258.db2.gz	LNMBJWWGEXFSHL-HZPDHXFCSA-N	1	0	357.483	1.764	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ocnc2C)C1	ZINC001130964600	940386157	/nfs/dbraw/zinc/38/61/57/940386157.db2.gz	UGPDLUPPIQRNIZ-IAGOWNOFSA-N	1	0	369.469	1.994	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2CC(C)(C)C2)C[C@H]1c1cncn1C	ZINC001130978114	940390780	/nfs/dbraw/zinc/39/07/80/940390780.db2.gz	RWIWQYACAHXVBR-IAGOWNOFSA-N	1	0	360.502	1.943	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1c1cncn1C	ZINC001130975653	940403613	/nfs/dbraw/zinc/40/36/13/940403613.db2.gz	JUICPXQMTSCDCH-IAGOWNOFSA-N	1	0	352.442	1.784	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(OC)ncn2)C[C@H]1c1cncn1C	ZINC001130989208	940411602	/nfs/dbraw/zinc/41/16/02/940411602.db2.gz	XMVVMDVSGNZHBG-GDBMZVCRSA-N	1	0	370.457	1.383	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2OCC[C@H]2C(C)C)C[C@H]1c1cncn1C	ZINC001130994050	940416150	/nfs/dbraw/zinc/41/61/50/940416150.db2.gz	CCZFHXFXHWCALJ-FAJBIJEISA-N	1	0	360.502	1.941	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCF)C1)OCC	ZINC001131001539	940427916	/nfs/dbraw/zinc/42/79/16/940427916.db2.gz	FIJNFFCRTCQYLP-INMHGKMJSA-N	1	0	352.454	1.645	20	30		FDEDRO
CCC(C)(C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CCOC)C1	ZINC001131003531	940429518	/nfs/dbraw/zinc/42/95/18/940429518.db2.gz	ISYHOQFDCHIFGY-IAGOWNOFSA-N	1	0	360.502	1.780	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](OCC)C(=C)C)C[C@H]1c1cncn1C	ZINC001131003831	940430226	/nfs/dbraw/zinc/43/02/26/940430226.db2.gz	RVMUMVXDWFQDCL-ZHALLVOQSA-N	1	0	358.486	1.699	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)C2CCC2)C[C@H]1c1cncn1C	ZINC001131018026	940439194	/nfs/dbraw/zinc/43/91/94/940439194.db2.gz	YFKRBKZLZLXJKJ-KBAYOESNSA-N	1	0	358.486	1.390	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCCC3)C[C@H]1c1cncn1C	ZINC001131017988	940439229	/nfs/dbraw/zinc/43/92/29/940439229.db2.gz	WQSZLETVNSSHAH-SJLPKXTDSA-N	1	0	366.469	1.174	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccn3c2CCCC3)C[C@H]1c1cncn1C	ZINC001131010446	940441071	/nfs/dbraw/zinc/44/10/71/940441071.db2.gz	MGSUWSUGOSGJPZ-QZTJIDSGSA-N	1	0	365.481	1.779	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2nc3c(s2)CCC3)C[C@H]1c1cncn1C	ZINC001131030914	940450642	/nfs/dbraw/zinc/45/06/42/940450642.db2.gz	DWXGLYJBGSFYBK-UKRRQHHQSA-N	1	0	369.494	1.586	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)cc(C)n2)C[C@H]1c1cncn1C	ZINC001131019827	940452291	/nfs/dbraw/zinc/45/22/91/940452291.db2.gz	CICRTPWTZKFDMJ-SJLPKXTDSA-N	1	0	351.454	1.653	20	30		FDEDRO
C=CCn1c(Cc2noc([C@@H]3CC[NH2+][C@@H]3CC)n2)nnc1N1CCOCC1	ZINC000822942582	945324488	/nfs/dbraw/zinc/32/44/88/945324488.db2.gz	ZPMKARSLVNGSCT-ZIAGYGMSSA-N	1	0	373.461	1.130	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)noc2C2CC2)C[C@H]1c1cncn1C	ZINC001131029001	940464001	/nfs/dbraw/zinc/46/40/01/940464001.db2.gz	VRWALOLNMOVTRU-HZPDHXFCSA-N	1	0	367.453	1.815	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3ncccc3o2)C[C@H]1c1cncn1C	ZINC001131029081	940464007	/nfs/dbraw/zinc/46/40/07/940464007.db2.gz	ZUCYJMRQMJNQKD-GDBMZVCRSA-N	1	0	363.421	1.782	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1c1cncn1C	ZINC001131038312	940466551	/nfs/dbraw/zinc/46/65/51/940466551.db2.gz	LMJOHVIWFVIXBO-HUUCEWRRSA-N	1	0	371.441	1.276	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+][C@H](C)COC)C2)cc1	ZINC001131039911	940467819	/nfs/dbraw/zinc/46/78/19/940467819.db2.gz	AUSBUDLVYAWUMS-ATZDWAIDSA-N	1	0	366.465	1.634	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOC)C1	ZINC001131040511	940468567	/nfs/dbraw/zinc/46/85/67/940468567.db2.gz	XNFUHUUSEAXOPN-GPMSIDNRSA-N	1	0	364.490	1.179	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc[nH]c2C2CC2)C[C@H]1c1cncn1C	ZINC001131054320	940481145	/nfs/dbraw/zinc/48/11/45/940481145.db2.gz	ZUFWUCDVXFPQKQ-IAGOWNOFSA-N	1	0	351.454	1.847	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc3n[nH]cc3c2)C[C@H]1c1cncn1C	ZINC001131055528	940481406	/nfs/dbraw/zinc/48/14/06/940481406.db2.gz	AAFZKMPDGIAWCU-SJLPKXTDSA-N	1	0	362.437	1.518	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cncn2C)C1	ZINC001131056030	940481961	/nfs/dbraw/zinc/48/19/61/940481961.db2.gz	UBWSIPVNNQFBHD-KBAYOESNSA-N	1	0	370.501	1.840	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC=C(C)C)C2)c1	ZINC001131068310	940483383	/nfs/dbraw/zinc/48/33/83/940483383.db2.gz	YIGFCMRBGFVLFR-RTBURBONSA-N	1	0	363.465	1.960	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccn(C)c2CC)C[C@H]1c1cncn1C	ZINC001131070128	940484244	/nfs/dbraw/zinc/48/42/44/940484244.db2.gz	GTVAESXEMPIQFB-IAGOWNOFSA-N	1	0	353.470	1.542	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc3cccnn32)C[C@H]1c1cncn1C	ZINC001131083825	940488967	/nfs/dbraw/zinc/48/89/67/940488967.db2.gz	CSAABPKXFCHZTI-IAGOWNOFSA-N	1	0	362.437	1.289	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)NC(C)=O)C[C@H]1c1cncn1C	ZINC001131073976	940490406	/nfs/dbraw/zinc/49/04/06/940490406.db2.gz	RXTVYDDCORIYFM-BRWVUGGUSA-N	1	0	361.490	1.185	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)nn2CC)C[C@H]1c1cncn1C	ZINC001131076593	940491359	/nfs/dbraw/zinc/49/13/59/940491359.db2.gz	SBVFYMWAFFCVQX-HZPDHXFCSA-N	1	0	356.474	1.719	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]cc2C2CC2)C[C@H]1c1cncn1C	ZINC001131098408	940492693	/nfs/dbraw/zinc/49/26/93/940492693.db2.gz	CMQMCPFVCOHZKG-QZTJIDSGSA-N	1	0	351.454	1.847	20	30		FDEDRO
CCCCCC[N@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H](NCC#N)C1	ZINC001131092048	940495933	/nfs/dbraw/zinc/49/59/33/940495933.db2.gz	YOIKSKOAPUMDPL-IAGOWNOFSA-N	1	0	360.506	1.340	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)ccc1F	ZINC000807924607	940496397	/nfs/dbraw/zinc/49/63/97/940496397.db2.gz	ONERMHHRMOLDBF-HUUCEWRRSA-N	1	0	369.462	1.503	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc3nc[nH]c32)C[C@H]1c1cncn1C	ZINC001131093963	940496740	/nfs/dbraw/zinc/49/67/40/940496740.db2.gz	NQLPFGPUKDKBGB-NVXWUHKLSA-N	1	0	362.437	1.518	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CCC2(C)CC2)C[C@H]1c1cncn1C	ZINC001131101315	940500369	/nfs/dbraw/zinc/50/03/69/940500369.db2.gz	ULZVKKVWLQVNJD-IAGOWNOFSA-N	1	0	358.486	1.534	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)[nH]nc2C(C)C)C[C@H]1c1cncn1C	ZINC001131105870	940501723	/nfs/dbraw/zinc/50/17/23/940501723.db2.gz	ISPPBOLEMUDBHN-HZPDHXFCSA-N	1	0	368.485	1.796	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1c1cncn1C	ZINC001131108248	940502707	/nfs/dbraw/zinc/50/27/07/940502707.db2.gz	NRYHGDGVBRBNAY-CGTJXYLNSA-N	1	0	370.501	1.635	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]C[C@H](F)CC)C2)nc1	ZINC001131110243	940503397	/nfs/dbraw/zinc/50/33/97/940503397.db2.gz	JBHNSQMIWURCKR-JFIYKMOQSA-N	1	0	369.444	1.742	20	30		FDEDRO
C[NH+](C)CCN1c2ccccc2C(=NNCCC(=O)OC(C)(C)C)C1=O	ZINC000807982539	940503949	/nfs/dbraw/zinc/50/39/49/940503949.db2.gz	DTHOAHBYHYZNHJ-UHFFFAOYSA-N	1	0	360.458	1.620	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COCc2ccccc2)C[C@H]1c1cncn1C	ZINC001131123588	940507245	/nfs/dbraw/zinc/50/72/45/940507245.db2.gz	NDZDQTPPVMZFGJ-RTBURBONSA-N	1	0	366.465	1.544	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cncnc2CC)C[C@H]1c1cncn1C	ZINC001131125399	940507795	/nfs/dbraw/zinc/50/77/95/940507795.db2.gz	CQCNERYEOJLVTL-SJLPKXTDSA-N	1	0	368.485	1.937	20	30		FDEDRO
C#CCOc1ccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1	ZINC000808424371	940544518	/nfs/dbraw/zinc/54/45/18/940544518.db2.gz	AMPHQAWBPXTNTR-MRXNPFEDSA-N	1	0	351.472	1.059	20	30		FDEDRO
C[NH+](C)CCOc1ccc(/C=C\C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1	ZINC000808400412	940545570	/nfs/dbraw/zinc/54/55/70/940545570.db2.gz	LQISXJMKODZUSW-AJWDXOCTSA-N	1	0	368.481	1.839	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCOCC)C1	ZINC001131307008	940548745	/nfs/dbraw/zinc/54/87/45/940548745.db2.gz	FNDGHDJSNCDCPS-ZACQAIPSSA-N	1	0	365.474	1.485	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CCC(=C)C)C[C@H]32)C1	ZINC001131307372	940549168	/nfs/dbraw/zinc/54/91/68/940549168.db2.gz	QNKKZAMJZDHHMA-KURKYZTESA-N	1	0	359.470	1.862	20	30		FDEDRO
C#CCC1(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[N@@H+](CCC=C)C[C@H]43)C2)CCC1	ZINC001131310122	940549834	/nfs/dbraw/zinc/54/98/34/940549834.db2.gz	IWBRGJOQHLDPOC-KURKYZTESA-N	1	0	371.481	1.862	20	30		FDEDRO
C#CCCCCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CC4CC4)C[C@H]32)C1	ZINC001131310526	940550418	/nfs/dbraw/zinc/55/04/18/940550418.db2.gz	URXAMXBQKLMYOT-KURKYZTESA-N	1	0	359.470	1.696	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(C)o2)CC1	ZINC001131412339	940563013	/nfs/dbraw/zinc/56/30/13/940563013.db2.gz	CTAYDENCOPTUCI-MJGOQNOKSA-N	1	0	360.454	1.837	20	30		FDEDRO
CC[C@@H](F)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CSCC#N)CC1	ZINC001131429728	940567442	/nfs/dbraw/zinc/56/74/42/940567442.db2.gz	UFAXTVFJRYKVKA-INMHGKMJSA-N	1	0	357.495	1.977	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1	ZINC001131442641	940592350	/nfs/dbraw/zinc/59/23/50/940592350.db2.gz	VPYMNPSMPHYSOZ-NXHRZFHOSA-N	1	0	354.491	1.336	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@H]3CCNC(=O)CC3)C2)c1	ZINC001086669023	940596492	/nfs/dbraw/zinc/59/64/92/940596492.db2.gz	KRWWWBHJMMRTRD-IJEWVQPXSA-N	1	0	357.458	1.291	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCCOC)CC1	ZINC001131451806	940606032	/nfs/dbraw/zinc/60/60/32/940606032.db2.gz	VMZOMZAUDJFLBL-WBVHZDCISA-N	1	0	360.882	1.388	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cncnc2)CC1	ZINC001131475891	940619012	/nfs/dbraw/zinc/61/90/12/940619012.db2.gz	HFGZGMABRXBQOD-MSOLQXFVSA-N	1	0	360.458	1.279	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCCO2)CC1	ZINC001131476168	940619423	/nfs/dbraw/zinc/61/94/23/940619423.db2.gz	USPJVHMEZYVJKE-QRVBRYPASA-N	1	0	364.486	1.191	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCC(=O)NC)CC1	ZINC001131480067	940636276	/nfs/dbraw/zinc/63/62/76/940636276.db2.gz	CNKVSFQVEPTPQN-XLIONFOSSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2nnc(C)o2)CC1	ZINC001131490846	940640709	/nfs/dbraw/zinc/64/07/09/940640709.db2.gz	DCCZSDJOZWBSGR-APWZRJJASA-N	1	0	362.474	1.872	20	30		FDEDRO
CC[C@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C#CC(C)(C)C)CC1)C(N)=O	ZINC001131495769	940647220	/nfs/dbraw/zinc/64/72/20/940647220.db2.gz	DLTXOHDJRVAXFZ-JZXOWHBKSA-N	1	0	363.502	1.286	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCO)CC1	ZINC001131506625	940668690	/nfs/dbraw/zinc/66/86/90/940668690.db2.gz	HWURMYCKNJKORZ-MJGOQNOKSA-N	1	0	368.518	1.583	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccc(C(N)=O)c2)CC1	ZINC001131519191	940688438	/nfs/dbraw/zinc/68/84/38/940688438.db2.gz	JDXSUHDXBLMKFK-MOPGFXCFSA-N	1	0	369.465	1.408	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(OC)n(C)n2)CC1	ZINC001131528564	940698830	/nfs/dbraw/zinc/69/88/30/940698830.db2.gz	YYBHDPCYRDYJCI-QAPCUYQASA-N	1	0	362.474	1.604	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCc3cncn3C2)CC1	ZINC001131522333	940705550	/nfs/dbraw/zinc/70/55/50/940705550.db2.gz	CNWSUHCDTVRCFV-SXLOBPIMSA-N	1	0	370.497	1.455	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCc3nccn3C2)CC1	ZINC001131522375	940705615	/nfs/dbraw/zinc/70/56/15/940705615.db2.gz	DSXLZGWZSXSMCS-NSHGMRRFSA-N	1	0	370.497	1.455	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1	ZINC001131526303	940711209	/nfs/dbraw/zinc/71/12/09/940711209.db2.gz	KWUUPMGINZUZGZ-GIVPXCGWSA-N	1	0	368.477	1.999	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2nc(C)no2)CC1	ZINC001131543666	940719596	/nfs/dbraw/zinc/71/95/96/940719596.db2.gz	NTCHKGWSUUKBSR-APWZRJJASA-N	1	0	360.458	1.320	20	30		FDEDRO
CCC(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NCC#N)CC1	ZINC001131552406	940728872	/nfs/dbraw/zinc/72/88/72/940728872.db2.gz	NQZIASBQUGONRY-WBVHZDCISA-N	1	0	364.490	1.048	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(CF)CC2)CC1	ZINC001131560101	940734661	/nfs/dbraw/zinc/73/46/61/940734661.db2.gz	XLQIOBJGJWZBGM-SJORKVTESA-N	1	0	354.466	1.924	20	30		FDEDRO
CC#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NCC)CC1	ZINC001131548569	940737538	/nfs/dbraw/zinc/73/75/38/940737538.db2.gz	ZAHHPDRRXWHRDQ-XLIONFOSSA-N	1	0	363.502	1.302	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2ccc(C)cc2=O)CC1	ZINC001131573378	940749293	/nfs/dbraw/zinc/74/92/93/940749293.db2.gz	XTLWKFDOYCTGLC-NQIIRXRSSA-N	1	0	371.481	1.166	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc3ncccn3n2)CC1	ZINC001131580536	940766857	/nfs/dbraw/zinc/76/68/57/940766857.db2.gz	VZRWQQLEFANBFY-APWZRJJASA-N	1	0	367.453	1.352	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](CC(C)C)NC(C)=O)CC1	ZINC001131594719	940776778	/nfs/dbraw/zinc/77/67/78/940776778.db2.gz	ANVAVANAULSZHT-QYZOEREBSA-N	1	0	363.502	1.156	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCC(=O)N2C)CC1	ZINC001131601354	940785181	/nfs/dbraw/zinc/78/51/81/940785181.db2.gz	BVBNAZJHMTXFRH-AOIWGVFYSA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc3n[nH]nc3c2)CC1	ZINC001131601478	940785337	/nfs/dbraw/zinc/78/53/37/940785337.db2.gz	FAKAHWQPSYZXGP-MJGOQNOKSA-N	1	0	367.453	1.581	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@](C)(NC(C)=O)C(C)C)CC1	ZINC001131608518	940788085	/nfs/dbraw/zinc/78/80/85/940788085.db2.gz	COYRPLARJQAAKQ-WSTZPKSXSA-N	1	0	365.518	1.709	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCCOCC)CC1	ZINC001131610483	940790276	/nfs/dbraw/zinc/79/02/76/940790276.db2.gz	SDURJWRRVVHEHH-QUCCMNQESA-N	1	0	368.518	1.991	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](CC(C)C)C(N)=O)CC1	ZINC001131612888	940792381	/nfs/dbraw/zinc/79/23/81/940792381.db2.gz	QXUNJSHDVIWVOL-BBWFWOEESA-N	1	0	351.491	1.306	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)NC(=O)C2CCC2)CC1	ZINC001131614842	940793786	/nfs/dbraw/zinc/79/37/86/940793786.db2.gz	BODNYFOCYXICNA-QGTPRVQTSA-N	1	0	363.502	1.463	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1)C(=O)N1CCCCC1	ZINC001086673479	940836269	/nfs/dbraw/zinc/83/62/69/940836269.db2.gz	JDDQSCZNKYTPHW-OWCLPIDISA-N	1	0	371.485	1.775	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1	ZINC000809588978	940870892	/nfs/dbraw/zinc/87/08/92/940870892.db2.gz	ARQOLBKEHGZHRQ-OAQYLSRUSA-N	1	0	373.497	1.676	20	30		FDEDRO
C#CCNC(=O)CN1CC[NH+](CCn2ccc3cc(Cl)ccc32)CC1	ZINC000809942717	940924775	/nfs/dbraw/zinc/92/47/75/940924775.db2.gz	NPHKBEUHUXMJFA-UHFFFAOYSA-N	1	0	358.873	1.662	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)cn1	ZINC001086676493	940948836	/nfs/dbraw/zinc/94/88/36/940948836.db2.gz	GORBQXCFLJBRIF-XJKSGUPXSA-N	1	0	353.426	1.978	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1	ZINC000810068408	940951563	/nfs/dbraw/zinc/95/15/63/940951563.db2.gz	OLDZBCVKDGPJBS-CHWSQXEVSA-N	1	0	362.396	1.385	20	30		FDEDRO
N#Cc1ccc(NC(=O)CN2CCC[C@H](CNC(=O)C(F)(F)F)C2)cc1	ZINC000810070905	940951928	/nfs/dbraw/zinc/95/19/28/940951928.db2.gz	UDXCHZSACKLUOM-CYBMUJFWSA-N	1	0	368.359	1.887	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@@H](CNC(=O)C(F)(F)F)C1	ZINC000810070911	940951962	/nfs/dbraw/zinc/95/19/62/940951962.db2.gz	YHAJZSMSNIJGJF-SWLSCSKDSA-N	1	0	362.396	1.431	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(c2snc(Cl)c2C#N)C[C@H]1O	ZINC001090503703	940957935	/nfs/dbraw/zinc/95/79/35/940957935.db2.gz	GTWCGYJGGLOELY-GHMZBOCLSA-N	1	0	371.894	1.064	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1	ZINC000810411135	940986804	/nfs/dbraw/zinc/98/68/04/940986804.db2.gz	JQRVMAXMGVYGGU-UHFFFAOYSA-N	1	0	373.388	1.173	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)CC(C)C)CC1	ZINC000810429915	940989758	/nfs/dbraw/zinc/98/97/58/940989758.db2.gz	UKDXPTXEBVUWPR-GOSISDBHSA-N	1	0	373.501	1.087	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1	ZINC000810678440	941037213	/nfs/dbraw/zinc/03/72/13/941037213.db2.gz	XUVKCAPLGFGQOT-LJQANCHMSA-N	1	0	359.449	1.814	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@H]1CCCN(c2cc[nH+]c(N)n2)C1	ZINC000810771415	941056277	/nfs/dbraw/zinc/05/62/77/941056277.db2.gz	QQPQZQRBTGEHTK-BBRMVZONSA-N	1	0	367.409	1.910	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3COC(=O)N3)C2)c(F)c1	ZINC001086685940	941071776	/nfs/dbraw/zinc/07/17/76/941071776.db2.gz	BSPCTXACYNDQPM-BJJXKVORSA-N	1	0	360.389	1.180	20	30		FDEDRO
Cn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3F)C2)nn1	ZINC001086689628	941098049	/nfs/dbraw/zinc/09/80/49/941098049.db2.gz	ZQQVFHHUZFBRQZ-DZGCQCFKSA-N	1	0	356.405	1.514	20	30		FDEDRO
CC1(C)[C@H](O)CC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000812865394	941288773	/nfs/dbraw/zinc/28/87/73/941288773.db2.gz	NSWNWULJHJJLDX-ZWKOTPCHSA-N	1	0	374.460	1.380	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(c2cnccc2C#N)CC1)[NH+]1CCCCC1	ZINC000813595560	941412887	/nfs/dbraw/zinc/41/28/87/941412887.db2.gz	YWBWWDDGZAEDGV-INIZCTEOSA-N	1	0	356.474	1.659	20	30		FDEDRO
C[NH+](C)C[C@@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)c1ccc(F)cc1	ZINC000813618611	941423005	/nfs/dbraw/zinc/42/30/05/941423005.db2.gz	NGDWJIUQFBYSMH-RAJOGRCSSA-N	1	0	374.416	1.461	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N[C@@H](c1ccccc1)C1CC1	ZINC001134053391	941529793	/nfs/dbraw/zinc/52/97/93/941529793.db2.gz	VITBJSQHQZQADY-HBFSDRIKSA-N	1	0	371.481	1.551	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2)C1	ZINC001134052785	941539662	/nfs/dbraw/zinc/53/96/62/941539662.db2.gz	BGLXXMVRNMSJCG-UHOSZYNNSA-N	1	0	371.481	1.446	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1	ZINC000814180729	941569164	/nfs/dbraw/zinc/56/91/64/941569164.db2.gz	OQEQOUHNFDBVJW-MOPGFXCFSA-N	1	0	373.497	1.804	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(OC)n2)C1	ZINC001086720901	941620635	/nfs/dbraw/zinc/62/06/35/941620635.db2.gz	UJMZNKKMEGHDGH-SCTDSRPQSA-N	1	0	370.497	1.562	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@@H](O)COc2cccc(C(C)=O)c2)CC1	ZINC000747968434	941701249	/nfs/dbraw/zinc/70/12/49/941701249.db2.gz	JJAYSFMCCBYMKW-GOSISDBHSA-N	1	0	358.438	1.090	20	30		FDEDRO
S=C(NN=Cc1cncnc1)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000814727642	941709554	/nfs/dbraw/zinc/70/95/54/941709554.db2.gz	RDJJGZNWGXPMQA-UHFFFAOYSA-N	1	0	354.483	1.939	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1	ZINC000747984347	941734464	/nfs/dbraw/zinc/73/44/64/941734464.db2.gz	TYZWIXKCZNERDX-IBGZPJMESA-N	1	0	370.497	1.330	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCCC(=O)N3)C2)c1	ZINC001086726399	941770307	/nfs/dbraw/zinc/77/03/07/941770307.db2.gz	BTTVZIBMQJWQAZ-RCCFBDPRSA-N	1	0	354.454	1.601	20	30		FDEDRO
C=CCOCC[N@H+]1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1	ZINC000815095620	941782507	/nfs/dbraw/zinc/78/25/07/941782507.db2.gz	RQOOLRJMQXWLSH-INIZCTEOSA-N	1	0	367.490	1.733	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCCC(C)(C)C	ZINC001135058137	941874152	/nfs/dbraw/zinc/87/41/52/941874152.db2.gz	GYNSOUMPYBKORS-RDJZCZTQSA-N	1	0	353.507	1.616	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N(C)CC(F)(F)F	ZINC001135067489	941883296	/nfs/dbraw/zinc/88/32/96/941883296.db2.gz	ADMBOBIXHCUXIY-JSGCOSHPSA-N	1	0	365.396	1.084	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)c1ccccc1	ZINC001135145987	941930218	/nfs/dbraw/zinc/93/02/18/941930218.db2.gz	YMVXSGLTGHMVIC-SZMVWBNQSA-N	1	0	359.470	1.725	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2	ZINC000815860831	941996008	/nfs/dbraw/zinc/99/60/08/941996008.db2.gz	CMQGGBPEXJREMR-UHFFFAOYSA-N	1	0	371.437	1.440	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21	ZINC001135472159	942104306	/nfs/dbraw/zinc/10/43/06/942104306.db2.gz	ZXHFNGNGQCDXFO-UIAACRFSSA-N	1	0	363.461	1.787	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC(=O)NC2)C1	ZINC001086740977	942182940	/nfs/dbraw/zinc/18/29/40/942182940.db2.gz	YJNAPDIXCDCNKB-YNEHKIRRSA-N	1	0	358.280	1.296	20	30		FDEDRO
C[C@@H](C#N)C[N@H+](C)C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1	ZINC000816492950	942223099	/nfs/dbraw/zinc/22/30/99/942223099.db2.gz	KAMGDJDHAXGTTL-LSDHHAIUSA-N	1	0	352.479	1.841	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cnc3c(c2)NC(=O)CO3)C1	ZINC001086747207	942237816	/nfs/dbraw/zinc/23/78/16/942237816.db2.gz	NCDGLALNHIURIE-WCQYABFASA-N	1	0	364.833	1.653	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1OCC[C@H]1C(C)C	ZINC001170842733	942340633	/nfs/dbraw/zinc/34/06/33/942340633.db2.gz	UPPJDOMLUNASPL-BQFCYCMXSA-N	1	0	351.491	1.062	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cncc(CC)c3)C2)C1=O	ZINC001086759592	942380486	/nfs/dbraw/zinc/38/04/86/942380486.db2.gz	POFHESNQSJPVPM-UHOSZYNNSA-N	1	0	370.497	1.919	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCNC(=O)CC3)C2)c1	ZINC001086767462	942441451	/nfs/dbraw/zinc/44/14/51/942441451.db2.gz	MOCXPJNVCFQSGG-IPMKNSEASA-N	1	0	368.481	1.849	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2[nH]nnc2C)C1	ZINC001086772717	942457798	/nfs/dbraw/zinc/45/77/98/942457798.db2.gz	AFVBABSFCAJNGY-GOEBONIOSA-N	1	0	368.441	1.682	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)N1CCC1	ZINC001170853207	942485791	/nfs/dbraw/zinc/48/57/91/942485791.db2.gz	OMVMQUFAIZITHW-BBWFWOEESA-N	1	0	351.491	1.465	20	30		FDEDRO
N#Cc1cccc(OCC(=O)NCC(=O)NCC[NH+]2CCCCCC2)c1	ZINC000817157741	942593823	/nfs/dbraw/zinc/59/38/23/942593823.db2.gz	MDSMQIFWFNQMEZ-UHFFFAOYSA-N	1	0	358.442	1.045	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@H+]2C[C@H](C(=O)OC(C)(C)C)CC[C@@H]2C)CC1	ZINC000817279674	942655584	/nfs/dbraw/zinc/65/55/84/942655584.db2.gz	SHJFIWXWGWNCJE-DLBZAZTESA-N	1	0	363.502	1.206	20	30		FDEDRO
C#CCNC(=O)CC[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@H]1C	ZINC000817292240	942661524	/nfs/dbraw/zinc/66/15/24/942661524.db2.gz	KJWAOTUZEZDZTL-OAGGEKHMSA-N	1	0	351.491	1.997	20	30		FDEDRO
C#C[C@@H](NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)C1CCOCC1	ZINC000856120482	970924283	/nfs/dbraw/zinc/92/42/83/970924283.db2.gz	QDXDJKIBFIJKLM-CVEARBPZSA-N	1	0	367.490	1.376	20	30		FDEDRO
C#C[C@H](NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1)C1CCOCC1	ZINC000856119743	970924346	/nfs/dbraw/zinc/92/43/46/970924346.db2.gz	VXQUVVNUAPFUJB-ZCNNSNEGSA-N	1	0	372.513	1.779	20	30		FDEDRO
N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CC[C@@H](n2cncn2)C1	ZINC000776877880	970929743	/nfs/dbraw/zinc/92/97/43/970929743.db2.gz	KWLSQPXIXQZQMG-CABCVRRESA-N	1	0	359.393	1.762	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001086803047	942713559	/nfs/dbraw/zinc/71/35/59/942713559.db2.gz	NFDQHXSPTJKLPX-ZSYWTGECSA-N	1	0	368.481	1.657	20	30		FDEDRO
CN(C[C@@H]1CCC[N@@H+]1C)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O	ZINC000817375052	942727178	/nfs/dbraw/zinc/72/71/78/942727178.db2.gz	XVKRGWXJESTPEE-KRWDZBQOSA-N	1	0	355.442	1.306	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C(N)=O)[nH]3)C2)s1	ZINC001086804442	942763787	/nfs/dbraw/zinc/76/37/87/942763787.db2.gz	LLOSHGZADPAWHF-NWDGAFQWSA-N	1	0	371.466	1.735	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)ccc1F	ZINC000817492251	942795649	/nfs/dbraw/zinc/79/56/49/942795649.db2.gz	WMVJXRLRFRXGHB-CQSZACIVSA-N	1	0	369.462	1.456	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c1	ZINC000817467294	942801368	/nfs/dbraw/zinc/80/13/68/942801368.db2.gz	YLCJBICYAXSIQX-KRWDZBQOSA-N	1	0	355.482	1.912	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc3n(n2)CCC3)C1	ZINC001086807786	942831297	/nfs/dbraw/zinc/83/12/97/942831297.db2.gz	USONQKVCTIVLDG-SFUIVIKGSA-N	1	0	358.486	1.795	20	30		FDEDRO
CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1nc(C)c(Br)c(C)c1C#N	ZINC001170873942	942848121	/nfs/dbraw/zinc/84/81/21/942848121.db2.gz	MMDLVFDXNINQDK-VXGBXAGGSA-N	1	0	367.247	1.896	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1	ZINC000817834546	942996303	/nfs/dbraw/zinc/99/63/03/942996303.db2.gz	CCNYNQOBAPPVAV-UXHICEINSA-N	1	0	361.445	1.846	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl	ZINC000818224129	943200748	/nfs/dbraw/zinc/20/07/48/943200748.db2.gz	DMDGRNJOAGIBGJ-GUTXKFCHSA-N	1	0	373.906	1.885	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CC(C(=O)OCC)=NN1c1ccccc1	ZINC000818588787	943297160	/nfs/dbraw/zinc/29/71/60/943297160.db2.gz	GNSOWRODORNAPZ-SFHVURJKSA-N	1	0	370.453	1.256	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnnn3C)C2)cc1	ZINC001086821952	943319234	/nfs/dbraw/zinc/31/92/34/943319234.db2.gz	JFSHPASSIKYPOH-DOTOQJQBSA-N	1	0	367.453	1.515	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1	ZINC000818592867	943324556	/nfs/dbraw/zinc/32/45/56/943324556.db2.gz	BYHVUSKXVILRJL-GOSISDBHSA-N	1	0	353.466	1.600	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@@H](C)SCC(=O)Nc1ccc(F)cc1	ZINC000818606418	943329792	/nfs/dbraw/zinc/32/97/92/943329792.db2.gz	SLEXBNBKYLTHKI-CQSZACIVSA-N	1	0	365.474	1.957	20	30		FDEDRO
C=C[C@H]1C[C@@]1(Nc1nc(N2CCC(C[NH3+])CC2)ncc1C)C(=O)OCC	ZINC001170914511	943339849	/nfs/dbraw/zinc/33/98/49/943339849.db2.gz	HNQTTZKVVIOQQA-KXBFYZLASA-N	1	0	359.474	1.880	20	30		FDEDRO
CCCS(=O)(=O)N1CCC([NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1	ZINC000818957678	943365000	/nfs/dbraw/zinc/36/50/00/943365000.db2.gz	YQJZKZMFDNCHSQ-KRWDZBQOSA-N	1	0	351.472	1.385	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@@H](O)c3ccccc3)C2)nn1	ZINC001086823778	943369990	/nfs/dbraw/zinc/36/99/90/943369990.db2.gz	VNGLIVQZHUHUQG-KVSKMBFKSA-N	1	0	369.469	1.686	20	30		FDEDRO
Cc1c(F)cccc1NC(=O)CC[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000819050935	943395244	/nfs/dbraw/zinc/39/52/44/943395244.db2.gz	YAIFVPRICUXOCM-ISLYRVAYSA-N	1	0	360.389	1.579	20	30		FDEDRO
CC(C)c1ccccc1OC[C@H](O)C[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000819053027	943396119	/nfs/dbraw/zinc/39/61/19/943396119.db2.gz	IBPASKBLWDPSQV-MVZUJROASA-N	1	0	373.453	1.666	20	30		FDEDRO
CN(c1ccc(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)cc1)S(C)(=O)=O	ZINC000819054113	943397300	/nfs/dbraw/zinc/39/73/00/943397300.db2.gz	VWWOSHQBNFCHMQ-SFHVURJKSA-N	1	0	359.451	1.777	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]C1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1	ZINC000819080327	943411953	/nfs/dbraw/zinc/41/19/53/943411953.db2.gz	JNXIOJPBCAMTLN-UHFFFAOYSA-N	1	0	373.453	1.038	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cncs3)C2)nn1	ZINC001086824882	943437078	/nfs/dbraw/zinc/43/70/78/943437078.db2.gz	DSBOCHQECBFAMQ-UONOGXRCSA-N	1	0	360.487	1.999	20	30		FDEDRO
C#C[C@H]([NH2+]C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCCO1	ZINC000819243231	943480243	/nfs/dbraw/zinc/48/02/43/943480243.db2.gz	ZRLURLBGRMSBHM-YESZJQIVSA-N	1	0	352.475	1.765	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1	ZINC000819246173	943481463	/nfs/dbraw/zinc/48/14/63/943481463.db2.gz	DNAFNGCYNBJUNE-HZPDHXFCSA-N	1	0	354.495	1.572	20	30		FDEDRO
COCCS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)cc1	ZINC000819264240	943516511	/nfs/dbraw/zinc/51/65/11/943516511.db2.gz	ORPFSAJDZVTSLI-IBGZPJMESA-N	1	0	374.462	1.802	20	30		FDEDRO
C#CCNC(=O)CCNc1ccc2c(ccn2CC[NH+]2CCOCC2)c1	ZINC000819430220	943584086	/nfs/dbraw/zinc/58/40/86/943584086.db2.gz	ACIROFRZRIOTIN-UHFFFAOYSA-N	1	0	354.454	1.525	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1	ZINC000110520303	943911993	/nfs/dbraw/zinc/91/19/93/943911993.db2.gz	VMWTXGAYHAASIT-OAHLLOKOSA-N	1	0	351.491	1.951	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)c1ccccc1	ZINC000820600183	944139006	/nfs/dbraw/zinc/13/90/06/944139006.db2.gz	UCDSYITXTCZUFC-QZTJIDSGSA-N	1	0	354.454	1.309	20	30		FDEDRO
C#C[C@H](NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccc(Cl)cc1F	ZINC000820755844	944183176	/nfs/dbraw/zinc/18/31/76/944183176.db2.gz	RQGSSTQMXPIIEP-ZENOOKHLSA-N	1	0	351.809	1.614	20	30		FDEDRO
N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH+]1[C@H](CO)CC[C@H]1CO	ZINC001195588720	971060020	/nfs/dbraw/zinc/06/00/20/971060020.db2.gz	GDKCKHHGOLSHAC-SOUVJXGZSA-N	1	0	352.394	1.041	20	30		FDEDRO
COC(=O)c1ccc(C(=[NH2+])Nc2ccc([C@]3(C)NC(=O)NC3=O)cc2)cc1	ZINC001170989122	945036835	/nfs/dbraw/zinc/03/68/35/945036835.db2.gz	JXXRCEIDFARLTM-IBGZPJMESA-N	1	0	366.377	1.565	20	30		FDEDRO
C#C[C@H](NC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)C1CCOCC1	ZINC000823185617	945531181	/nfs/dbraw/zinc/53/11/81/945531181.db2.gz	DTKDQUKIEDTSCC-OALUTQOASA-N	1	0	362.518	1.226	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)n1	ZINC001090721409	945970403	/nfs/dbraw/zinc/97/04/03/945970403.db2.gz	NOIDYFGEZVAGOV-OLMNPRSZSA-N	1	0	370.501	1.718	20	30		FDEDRO
C[C@@H]1CN(c2snc(Cl)c2C#N)C[C@H]1NC(=O)COCC[NH+](C)C	ZINC001090741848	946096483	/nfs/dbraw/zinc/09/64/83/946096483.db2.gz	PEGSOGRTWUQSFM-ZYHUDNBSSA-N	1	0	371.894	1.187	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@H]1C	ZINC001090778340	946568675	/nfs/dbraw/zinc/56/86/75/946568675.db2.gz	VCGSWGOZABBZIX-KBRIMQKVSA-N	1	0	361.465	1.883	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1	ZINC000856597174	971244649	/nfs/dbraw/zinc/24/46/49/971244649.db2.gz	FMSFUJRYGVMOPE-QFBILLFUSA-N	1	0	358.486	1.513	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1	ZINC001090788256	946693029	/nfs/dbraw/zinc/69/30/29/946693029.db2.gz	LYKZIUUUJQXQLU-DNVCBOLYSA-N	1	0	364.453	1.816	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@H]1C	ZINC001573284559	946750666	/nfs/dbraw/zinc/75/06/66/946750666.db2.gz	GIRYAYKMJWPVNG-HIFRSBDPSA-N	1	0	353.430	1.197	20	30		FDEDRO
CON=C(C(=O)NCC1CC[NH+](CC2CC2)CC1)c1csc(N)n1	ZINC000824753732	946761000	/nfs/dbraw/zinc/76/10/00/946761000.db2.gz	MJNPHGPMDOUSPV-UHFFFAOYSA-N	1	0	351.476	1.314	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1CC[C@@H]([C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573293089	946947350	/nfs/dbraw/zinc/94/73/50/946947350.db2.gz	LWXHKXDBIOSXDD-ZIAGYGMSSA-N	1	0	369.473	1.935	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1	ZINC001573562663	946977038	/nfs/dbraw/zinc/97/70/38/946977038.db2.gz	VPRJORBESKABTH-BDJLRTHQSA-N	1	0	371.420	1.492	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1	ZINC001573294590	946992255	/nfs/dbraw/zinc/99/22/55/946992255.db2.gz	DJSFJZSDOQMTOM-CYBMUJFWSA-N	1	0	363.853	1.922	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573564386	946993186	/nfs/dbraw/zinc/99/31/86/946993186.db2.gz	ICGSDLIPAIKOED-HIFRSBDPSA-N	1	0	353.430	1.307	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1-c1nn[nH]n1)C2	ZINC001573564803	946996547	/nfs/dbraw/zinc/99/65/47/946996547.db2.gz	LDJQAOJHFSXECU-CYBMUJFWSA-N	1	0	351.414	1.061	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1-c1nn[nH]n1	ZINC001573565179	947002528	/nfs/dbraw/zinc/00/25/28/947002528.db2.gz	OAGZYXOEFRXSMR-YUELXQCFSA-N	1	0	351.414	1.202	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573565655	947009863	/nfs/dbraw/zinc/00/98/63/947009863.db2.gz	TVZRCHYAQZRZHK-KZULUSFZSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573566701	947029740	/nfs/dbraw/zinc/02/97/40/947029740.db2.gz	FUXABZBSOXLYMU-IUODEOHRSA-N	1	0	371.420	1.588	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1	ZINC001573566869	947031614	/nfs/dbraw/zinc/03/16/14/947031614.db2.gz	HBNKZAJZLKWIGY-QWHCGFSZSA-N	1	0	373.486	1.901	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573567471	947045833	/nfs/dbraw/zinc/04/58/33/947045833.db2.gz	NPVCPZUNPRYGKP-BBRMVZONSA-N	1	0	353.430	1.497	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@](C)(C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1	ZINC001573569742	947075626	/nfs/dbraw/zinc/07/56/26/947075626.db2.gz	FCEOEBZFKLRKMD-ZMZPIMSZSA-N	1	0	371.420	1.540	20	30		FDEDRO
C=CCCC1(C(=O)N[C@@H]2C[N@@H+](CCCO[C@H]3CCOC3)C[C@H]2O)CC1	ZINC001195923567	971323193	/nfs/dbraw/zinc/32/31/93/971323193.db2.gz	FXRUNKREKFKQQW-GVDBMIGSSA-N	1	0	352.475	1.090	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1	ZINC001573570198	947083691	/nfs/dbraw/zinc/08/36/91/947083691.db2.gz	LUGPRJFAEMBRCH-KEYYUXOJSA-N	1	0	367.457	1.743	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C(C)(C)C	ZINC001573572063	947109212	/nfs/dbraw/zinc/10/92/12/947109212.db2.gz	DOBASCDEELGUPB-IAQYHMDHSA-N	1	0	373.436	1.786	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001573300572	947116173	/nfs/dbraw/zinc/11/61/73/947116173.db2.gz	ZJNLRBRGZVDVDY-PWSUYJOCSA-N	1	0	363.853	1.778	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC1([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCC1	ZINC001573575887	947145357	/nfs/dbraw/zinc/14/53/57/947145357.db2.gz	BKVIPJJDKCGAAG-NSHDSACASA-N	1	0	357.393	1.294	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1	ZINC001573304889	947145912	/nfs/dbraw/zinc/14/59/12/947145912.db2.gz	IUGVAFKBOWELKA-UONOGXRCSA-N	1	0	369.473	1.901	20	30		FDEDRO
CC(C)[C@@H](CCNC(=O)[C@H](C)C#N)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1	ZINC001573583812	947208123	/nfs/dbraw/zinc/20/81/23/947208123.db2.gz	PEIIGKKYWMOQIF-MLGOLLRUSA-N	1	0	373.436	1.786	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573585160	947247375	/nfs/dbraw/zinc/24/73/75/947247375.db2.gz	LKDVEOXGXQZGQM-SRMUXQRQSA-N	1	0	351.414	1.248	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573585770	947267496	/nfs/dbraw/zinc/26/74/96/947267496.db2.gz	WBGNPEBXUZJLPP-IVMMDQJWSA-N	1	0	353.430	1.401	20	30		FDEDRO
C=CCCC(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(OC)c(-c2nn[nH]n2)c1	ZINC001573328159	947402443	/nfs/dbraw/zinc/40/24/43/947402443.db2.gz	RMFHGVUZOQXVEB-ZDUSSCGKSA-N	1	0	358.446	1.778	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2nnc(C)[nH]2)C[C@H]1c1ccc(OC)cc1	ZINC001090870935	947417033	/nfs/dbraw/zinc/41/70/33/947417033.db2.gz	GIHWIRRHSMKBSV-DLBZAZTESA-N	1	0	355.442	1.434	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1CCCC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1	ZINC001573334735	947461964	/nfs/dbraw/zinc/46/19/64/947461964.db2.gz	HTMNQXTWJVXKQF-HZPDHXFCSA-N	1	0	355.446	1.879	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1c1ccc(OC)cc1	ZINC001090875429	947491195	/nfs/dbraw/zinc/49/11/95/947491195.db2.gz	SVLDUZDISJQNDT-NZSAHSFTSA-N	1	0	371.481	1.682	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1	ZINC001573337429	947519620	/nfs/dbraw/zinc/51/96/20/947519620.db2.gz	XLQYXOKEMNIESP-AWEZNQCLSA-N	1	0	371.445	1.200	20	30		FDEDRO
C=CC[N@@H+](C)CCN(CC)C(=O)c1ccc2c(c1)[nH]cc2-c1nn[nH]n1	ZINC001573340823	947521100	/nfs/dbraw/zinc/52/11/00/947521100.db2.gz	BHCYMYZGDHVKIF-UHFFFAOYSA-N	1	0	353.430	1.928	20	30		FDEDRO
C=CCOc1ccc(/C=C\C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1OC	ZINC000843993301	947543686	/nfs/dbraw/zinc/54/36/86/947543686.db2.gz	CXFLQFRGDOHCQX-XTKXOIQPSA-N	1	0	358.438	1.551	20	30		FDEDRO
C=CCOCC(=O)NC1(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCCC1	ZINC001573343190	947552228	/nfs/dbraw/zinc/55/22/28/947552228.db2.gz	KQOPKPITDOQZJN-UHFFFAOYSA-N	1	0	370.457	1.588	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(=O)[nH]c2)C[C@H]1c1ccc(OC)cc1	ZINC001090876205	947555175	/nfs/dbraw/zinc/55/51/75/947555175.db2.gz	RRIFKXQGSKHQSE-RBUKOAKNSA-N	1	0	365.433	1.556	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573343772	947561381	/nfs/dbraw/zinc/56/13/81/947561381.db2.gz	SEQUAIPHWUYYGY-IAGOWNOFSA-N	1	0	370.457	1.586	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H]([NH2+]CC(N)=O)C1	ZINC001090879447	947575225	/nfs/dbraw/zinc/57/52/25/947575225.db2.gz	LZVDNVUGMRQZRJ-SQGPQFPESA-N	1	0	359.470	1.667	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)Cc1ccc(S(=O)(=O)CC)cc1	ZINC001143721382	947591726	/nfs/dbraw/zinc/59/17/26/947591726.db2.gz	IXXAWGNHEYFHRQ-INIZCTEOSA-N	1	0	350.484	1.789	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573350664	947600926	/nfs/dbraw/zinc/60/09/26/947600926.db2.gz	IIZFKDIKNFFMQD-XYPHTWIQSA-N	1	0	370.457	1.394	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)CCc3ccccc3)C[C@H]2O)C1	ZINC001196029732	971411054	/nfs/dbraw/zinc/41/10/54/971411054.db2.gz	INIJRZMEQCNEQS-IPMKNSEASA-N	1	0	358.482	1.498	20	30		FDEDRO
CC#CCCCC(=O)NC[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1	ZINC001573359047	947676078	/nfs/dbraw/zinc/67/60/78/947676078.db2.gz	VEBXOPPOKTYGJA-ZDUSSCGKSA-N	1	0	358.421	1.794	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1CCn2c(CCc3ccccc3)nnc2C1	ZINC000844186971	947824682	/nfs/dbraw/zinc/82/46/82/947824682.db2.gz	AJTOAOSASDTTHY-MRXNPFEDSA-N	1	0	352.442	1.427	20	30		FDEDRO
CN1C(=O)C[C@H](C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)[C@H]1c1ccc(Cl)c(F)c1	ZINC000844195456	947864722	/nfs/dbraw/zinc/86/47/22/947864722.db2.gz	UENJVRNZZWVHQF-FNNPODNZSA-N	1	0	364.808	1.226	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+](C)C[C@](C)(O)CN(C)C(=O)OC(C)(C)C)C1=O	ZINC000844324825	947993089	/nfs/dbraw/zinc/99/30/89/947993089.db2.gz	MNVWLOYRTLOVMJ-KSSFIOAISA-N	1	0	355.479	1.323	20	30		FDEDRO
C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)C[C@H](O)c1cccc(C#N)c1	ZINC000844367300	948017003	/nfs/dbraw/zinc/01/70/03/948017003.db2.gz	STFCNZDDLJIBHS-QUCCMNQESA-N	1	0	351.406	1.835	20	30		FDEDRO
N#Cc1cncc(C[N@@H+]2CCc3ncnc(N4CCOCC4)c3CC2)c1	ZINC001144074867	948187929	/nfs/dbraw/zinc/18/79/29/948187929.db2.gz	HFQUOTFPXMHQFO-UHFFFAOYSA-N	1	0	350.426	1.181	20	30		FDEDRO
N#Cc1cncc(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)c2cnccn2)C3)c1	ZINC001144080020	948200688	/nfs/dbraw/zinc/20/06/88/948200688.db2.gz	ARJVGCLNYRORKJ-FQEVSTJZSA-N	1	0	362.437	1.872	20	30		FDEDRO
N#Cc1cncc(C[NH+]2CCC3(CCN(C(=O)c4cnccn4)C3)CC2)c1	ZINC001144080640	948201679	/nfs/dbraw/zinc/20/16/79/948201679.db2.gz	UEVPNJPJTJHBHN-UHFFFAOYSA-N	1	0	362.437	1.872	20	30		FDEDRO
N#Cc1cccn(CN2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)c1=O	ZINC000844729466	948337633	/nfs/dbraw/zinc/33/76/33/948337633.db2.gz	NAUIZGXPENBGPO-PMACEKPBSA-N	1	0	364.449	1.653	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1Nc1cnc(C#N)cn1	ZINC001091014424	948443740	/nfs/dbraw/zinc/44/37/40/948443740.db2.gz	MBJWGIBQMBARHM-GDBMZVCRSA-N	1	0	356.474	1.872	20	30		FDEDRO
C[NH+](C)CCC(=O)N1CCO[C@@H]2CN(c3snc(Cl)c3C#N)C[C@@H]21	ZINC001091056258	948804081	/nfs/dbraw/zinc/80/40/81/948804081.db2.gz	IVTCPXOXPGQZGX-NWDGAFQWSA-N	1	0	369.878	1.036	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c(C)ncc3C2)C1	ZINC001196168489	971517089	/nfs/dbraw/zinc/51/70/89/971517089.db2.gz	KYTHRNXNTYUZIV-BHIYHBOVSA-N	1	0	360.502	1.662	20	30		FDEDRO
CC[NH+](CC)CC[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC001196184328	971530264	/nfs/dbraw/zinc/53/02/64/971530264.db2.gz	USWIMEXEKKMRJA-GFCCVEGCSA-N	1	0	354.432	1.865	20	30		FDEDRO
C[C@@H](CN(C)C(=O)C#CC1CC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001574692968	949047338	/nfs/dbraw/zinc/04/73/38/949047338.db2.gz	FBDGYNZBIVXCPD-LBPRGKRZSA-N	1	0	356.405	1.356	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N1CC[NH2+][C@H](c2cccc(OC)c2)C1	ZINC001196226370	971563747	/nfs/dbraw/zinc/56/37/47/971563747.db2.gz	AGLMAANMCWELJE-INIZCTEOSA-N	1	0	352.460	1.122	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1CCCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1	ZINC001573793348	949290396	/nfs/dbraw/zinc/29/03/96/949290396.db2.gz	PQNQEOSZDGEDQC-CQSZACIVSA-N	1	0	367.457	1.526	20	30		FDEDRO
Cc1cc(N2C[C@@H](NC(=O)CCCC[NH+]3CCCC3)[C@@H](O)C2)c(C#N)cn1	ZINC001091119842	949373151	/nfs/dbraw/zinc/37/31/51/949373151.db2.gz	WSTHQJNIKIBXPK-MJGOQNOKSA-N	1	0	371.485	1.194	20	30		FDEDRO
C=C[C@H](C)ONC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1	ZINC000845631753	949715431	/nfs/dbraw/zinc/71/54/31/949715431.db2.gz	SSLPPVNPONZZFJ-INIZCTEOSA-N	1	0	362.474	1.965	20	30		FDEDRO
N#Cc1cccc(C[NH2+]C2CC(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1	ZINC001091151744	949724524	/nfs/dbraw/zinc/72/45/24/949724524.db2.gz	OVXREIDJBODCTQ-BAMZZKKUSA-N	1	0	351.450	1.966	20	30		FDEDRO
C#Cc1ccc(CN2Cc3nccn3C[C@H](C[NH+]3CCN(C)CC3)C2)cc1	ZINC001144572363	949954422	/nfs/dbraw/zinc/95/44/22/949954422.db2.gz	XMKMZMVKXBIEKE-OAQYLSRUSA-N	1	0	363.509	1.744	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(C#N)CCSCC1	ZINC000845878333	950052060	/nfs/dbraw/zinc/05/20/60/950052060.db2.gz	MBYOLDDKLMCIFP-CYBMUJFWSA-N	1	0	370.519	1.737	20	30		FDEDRO
C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCSC[C@H]1C#N	ZINC000845916292	950085338	/nfs/dbraw/zinc/08/53/38/950085338.db2.gz	WXIHKNCHCHJONH-OLZOCXBDSA-N	1	0	356.492	1.299	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1	ZINC000857234174	971663762	/nfs/dbraw/zinc/66/37/62/971663762.db2.gz	NEZUSARFYWLMSU-LBPRGKRZSA-N	1	0	371.425	1.438	20	30		FDEDRO
CC(=O)N1CCO[C@@]2(C1)COCC[N@@H+]([C@H](C)Cc1cccc(C#N)c1)C2	ZINC001171216737	950690015	/nfs/dbraw/zinc/69/00/15/950690015.db2.gz	KFMXFUQKHFCYNX-UZLBHIALSA-N	1	0	357.454	1.439	20	30		FDEDRO
C[C@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1	ZINC001576217315	950754994	/nfs/dbraw/zinc/75/49/94/950754994.db2.gz	MEHQMVUCJHIIMI-KSSFIOAISA-N	1	0	364.453	1.607	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1	ZINC000846318281	950914644	/nfs/dbraw/zinc/91/46/44/950914644.db2.gz	DYHGIVGQLNJZSQ-SGTLLEGYSA-N	1	0	360.389	1.254	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C(F)(F)F)CCCC1)C2	ZINC001111508686	971716422	/nfs/dbraw/zinc/71/64/22/971716422.db2.gz	ALNNUEUHEDBXMP-MCIONIFRSA-N	1	0	371.403	1.580	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cc(Cl)cs2)C1	ZINC001196460870	971717378	/nfs/dbraw/zinc/71/73/78/971717378.db2.gz	NUNOVCSEJIENLH-HUUCEWRRSA-N	1	0	358.891	1.698	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2ncnn2CC)C1	ZINC001091271650	951261919	/nfs/dbraw/zinc/26/19/19/951261919.db2.gz	TXMRJSGUFSKKSM-OBQMCRIKSA-N	1	0	361.490	1.654	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)Nc1cnn(C2CC[NH2+]CC2)c1	ZINC000846675113	951438403	/nfs/dbraw/zinc/43/84/03/951438403.db2.gz	BBHDFVUNDQLUMG-UHFFFAOYSA-N	1	0	355.398	1.705	20	30		FDEDRO
CC[C@@H](OC1CCCC1)C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O	ZINC001196543613	971764650	/nfs/dbraw/zinc/76/46/50/971764650.db2.gz	PPZOFMWSZQGOST-NJDAHSKKSA-N	1	0	370.493	1.937	20	30		FDEDRO
N#Cc1cccnc1C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1	ZINC001196554743	971772252	/nfs/dbraw/zinc/77/22/52/971772252.db2.gz	LJZNGVHTUOPIPX-HRCADAONSA-N	1	0	364.409	1.015	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH+]2CCC(Cc3nc(CC)cs3)CC2)CC1	ZINC000847035086	951763145	/nfs/dbraw/zinc/76/31/45/951763145.db2.gz	PGDNCFQDZAKULC-UHFFFAOYSA-N	1	0	374.554	1.737	20	30		FDEDRO
C#C[C@@H]1CCC[N@@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000847022511	951775897	/nfs/dbraw/zinc/77/58/97/951775897.db2.gz	UPKWVXCSUONWKE-YLJYHZDGSA-N	1	0	368.456	1.880	20	30		FDEDRO
C[C@]12CN(C(=O)C3=COCCO3)C[C@H]1C[N@H+](Cc1ccc(C#N)c(F)c1)C2	ZINC001091457094	951816006	/nfs/dbraw/zinc/81/60/06/951816006.db2.gz	OJYVZCFVBRHRHW-UZLBHIALSA-N	1	0	371.412	1.866	20	30		FDEDRO
C[C@]12CN(C(=O)CN3CCCC3=O)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001091468612	951843522	/nfs/dbraw/zinc/84/35/22/951843522.db2.gz	QJGUHJSYHCRQHN-KNQAVFIVSA-N	1	0	365.477	1.441	20	30		FDEDRO
Cn1cc(C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@@]3(C)C2)cn1	ZINC001091472227	951849521	/nfs/dbraw/zinc/84/95/21/951849521.db2.gz	WEQBIJQVCHVVST-KDOFPFPSSA-N	1	0	355.467	1.947	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)CC(F)(F)F)C[C@]3(C)C2)C1=O	ZINC001091525814	951935980	/nfs/dbraw/zinc/93/59/80/951935980.db2.gz	MZGIZPDTUXBVSW-WWGRRREGSA-N	1	0	359.392	1.506	20	30		FDEDRO
C=C(Br)CN1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@]2(C)C1	ZINC001091531246	951957180	/nfs/dbraw/zinc/95/71/80/951957180.db2.gz	NGGOVAUDJUHBPJ-FMKPAKJESA-N	1	0	356.308	1.770	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O	ZINC001146281903	952013860	/nfs/dbraw/zinc/01/38/60/952013860.db2.gz	HRZAECUZEVQPFQ-UONOGXRCSA-N	1	0	355.479	1.417	20	30		FDEDRO
Cc1c(C(=O)N2C[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@@]3(C)C2)nnn1C	ZINC001091561831	952074174	/nfs/dbraw/zinc/07/41/74/952074174.db2.gz	KVAPADDIRGSXHG-XLIONFOSSA-N	1	0	364.453	1.589	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[C@@H](Nc2ccncc2C#N)C1	ZINC001091579140	952126667	/nfs/dbraw/zinc/12/66/67/952126667.db2.gz	YWZLOLVTRDLYLE-SOLBZPMBSA-N	1	0	371.485	1.040	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@H]3CCNC(=O)C3)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001091590211	952194130	/nfs/dbraw/zinc/19/41/30/952194130.db2.gz	IRGPYHBUTINIMT-KNKQGSTJSA-N	1	0	365.477	1.345	20	30		FDEDRO
C[C@]12CN(C(=O)C[C@@H]3COC(=O)C3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001091598075	952199918	/nfs/dbraw/zinc/19/99/18/952199918.db2.gz	UFBUDGBOLFTPKN-UEXGIBASSA-N	1	0	367.449	1.792	20	30		FDEDRO
CC[NH+]1CCC(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1	ZINC001146781508	952202909	/nfs/dbraw/zinc/20/29/09/952202909.db2.gz	ARYFOICNFUKITB-OAHLLOKOSA-N	1	0	350.463	1.690	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)NC[C@H]2CC[C@@H](Nc3ccncc3C#N)C2)CC1	ZINC001091599979	952215663	/nfs/dbraw/zinc/21/56/63/952215663.db2.gz	PLPAFWXUDKWIKU-DOTOQJQBSA-N	1	0	371.485	1.183	20	30		FDEDRO
CC1CC[NH+](CC(=O)NC[C@H]2CC[C@@H](Nc3cnc(C#N)cn3)C2)CC1	ZINC001091601654	952221569	/nfs/dbraw/zinc/22/15/69/952221569.db2.gz	VNVMROOEMYVBFB-JKSUJKDBSA-N	1	0	356.474	1.777	20	30		FDEDRO
C[C@]12CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]1C[N@H+](CCO[C@@H]1CC1(F)F)C2	ZINC001091612779	952285456	/nfs/dbraw/zinc/28/54/56/952285456.db2.gz	CZMDRGGRJWSTDA-UNEWFSDZSA-N	1	0	364.396	1.704	20	30		FDEDRO
CC(C)N1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@]3(C)C2)C1=O	ZINC001091612964	952287374	/nfs/dbraw/zinc/28/73/74/952287374.db2.gz	KIWGVJDVJMVPSO-MDYRTPRTSA-N	1	0	369.469	1.290	20	30		FDEDRO
C[C@]12CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]1C[N@H+](C[C@@H]1CCNC(=O)CC1)C2	ZINC001091613037	952288830	/nfs/dbraw/zinc/28/88/30/952288830.db2.gz	KTEVREFGHIMSNA-NBQZKYEYSA-N	1	0	369.469	1.197	20	30		FDEDRO
N#Cc1nccnc1N[C@@H]1CC[C@H](CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1	ZINC001091620730	952336328	/nfs/dbraw/zinc/33/63/28/952336328.db2.gz	DWGSJUDKZBXOQX-LESCRADOSA-N	1	0	368.485	1.919	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4nccn4CC)C[C@]3(C)C2)C1=O	ZINC001091631898	952390561	/nfs/dbraw/zinc/39/05/61/952390561.db2.gz	XBJZKTWPAMGSKF-QINHECLXSA-N	1	0	371.485	1.084	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[C@@H](Nc2ccncc2C#N)C1	ZINC001091646122	952478364	/nfs/dbraw/zinc/47/83/64/952478364.db2.gz	BUKRBWAUTSLTNF-JQHSSLGASA-N	1	0	355.486	1.946	20	30		FDEDRO
C[C@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1	ZINC001091655815	952517911	/nfs/dbraw/zinc/51/79/11/952517911.db2.gz	PUNPQOXCZVJANH-CEQIKUNHSA-N	1	0	357.498	1.627	20	30		FDEDRO
COc1ncc(C[N@@H+]2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]3(C)C2)c(C)n1	ZINC001091659670	952519665	/nfs/dbraw/zinc/51/96/65/952519665.db2.gz	QWKFOEXDCQHFDQ-XLIONFOSSA-N	1	0	354.454	1.487	20	30		FDEDRO
C[C@]12CN(C(=O)CO[C@@H]3CCOC3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001091669609	952574266	/nfs/dbraw/zinc/57/42/66/952574266.db2.gz	RZRSBGNZLAVBBS-SBHAEUEKSA-N	1	0	369.465	1.644	20	30		FDEDRO
C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000772986460	952605095	/nfs/dbraw/zinc/60/50/95/952605095.db2.gz	WGFABHPJYPWLDK-UNQMGURYSA-N	1	0	357.410	1.852	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@]2(C)C1	ZINC001091701800	952668990	/nfs/dbraw/zinc/66/89/90/952668990.db2.gz	IVYOBVKTSNHFBG-KDOFPFPSSA-N	1	0	353.894	1.778	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[C@@H](C)O3)C2)C1	ZINC001148304519	952678286	/nfs/dbraw/zinc/67/82/86/952678286.db2.gz	FUUKWOWCNPQKLH-IAGOWNOFSA-N	1	0	363.502	1.513	20	30		FDEDRO
CN(C1CN(S(=O)(=O)c2cc(Cl)ccc2C#N)C1)[C@H]1CCOC1	ZINC001196672175	971857414	/nfs/dbraw/zinc/85/74/14/971857414.db2.gz	KCRUFCULDYTHKI-ZDUSSCGKSA-N	1	0	355.847	1.305	20	30		FDEDRO
CN1C[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@@]3(C)C2)CC1=O	ZINC001091714919	952710057	/nfs/dbraw/zinc/71/00/57/952710057.db2.gz	NJAZXYXBXQWTKD-UEXGIBASSA-N	1	0	366.465	1.317	20	30		FDEDRO
CC[NH+](CC)CCCNC(=S)N1CCN(c2nccnc2C#N)CC1	ZINC001196677916	971864245	/nfs/dbraw/zinc/86/42/45/971864245.db2.gz	ZMGVRYWWNGIMJK-UHFFFAOYSA-N	1	0	361.519	1.077	20	30		FDEDRO
C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCO[C@H]3c3nccn3C)C[C@]2(C)C1	ZINC001091752236	952802823	/nfs/dbraw/zinc/80/28/23/952802823.db2.gz	SDKKBTPRCVJTHU-VIPLHTEESA-N	1	0	356.470	1.301	20	30		FDEDRO
C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3OCCO[C@@H]3c3ccccc3)C[C@]2(C)C1	ZINC001091754293	952815099	/nfs/dbraw/zinc/81/50/99/952815099.db2.gz	NFUGABKVEIUZDP-XCJLJZCSSA-N	1	0	354.450	1.557	20	30		FDEDRO
Cc1cc(C)cc([C@H](O)CNC(=[NH2+])N2CCN(c3ncccn3)CC2)c1	ZINC000282733549	952851636	/nfs/dbraw/zinc/85/16/36/952851636.db2.gz	XHNSXGKNBGJSMI-QGZVFWFLSA-N	1	0	354.458	1.264	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(Cl)no3)C2)C1=O	ZINC001086859830	952880422	/nfs/dbraw/zinc/88/04/22/952880422.db2.gz	VGOJDMPKZZICSC-YNEHKIRRSA-N	1	0	366.849	1.603	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(OC)nn3)C2)nc1	ZINC001086856001	952902083	/nfs/dbraw/zinc/90/20/83/952902083.db2.gz	CYCZJPQJIDJDNY-JKSUJKDBSA-N	1	0	365.437	1.550	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3snnc3C)C2)nc1	ZINC001086856957	952903835	/nfs/dbraw/zinc/90/38/35/952903835.db2.gz	CSRJJMUQMCYEDZ-LSDHHAIUSA-N	1	0	355.467	1.911	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C)nc3C)C2)C1=O	ZINC001086882065	952913429	/nfs/dbraw/zinc/91/34/29/952913429.db2.gz	YPSVJOQJSPYIGS-YQVWRLOYSA-N	1	0	370.497	1.973	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C[C@H]1C)CC[NH+](CC(=O)NC)CC2	ZINC001086923430	952944092	/nfs/dbraw/zinc/94/40/92/952944092.db2.gz	RISVEKYNLFCVOP-ZACQAIPSSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cccc3n[nH]nc32)C[C@H]1c1cnn(C)c1	ZINC001086980060	952973348	/nfs/dbraw/zinc/97/33/48/952973348.db2.gz	HTLNPAYDOWVIHF-DOTOQJQBSA-N	1	0	365.441	1.465	20	30		FDEDRO
Cc1ncsc1C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1cnn(C)c1	ZINC001086978447	952990382	/nfs/dbraw/zinc/99/03/82/952990382.db2.gz	XCSXYAZZSPRTIY-DLBZAZTESA-N	1	0	369.494	1.683	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(C)noc2CCC)C[C@H]1c1cnn(C)c1	ZINC001086978393	952990471	/nfs/dbraw/zinc/99/04/71/952990471.db2.gz	UMFTXQGVMNVLLK-JKSUJKDBSA-N	1	0	355.442	1.500	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc3n2[C@H](C)CCC3)C[C@H]1c1cnn(C)c1	ZINC001086979749	952993419	/nfs/dbraw/zinc/99/34/19/952993419.db2.gz	PTBOQXMAQGTTFY-HYVNUMGLSA-N	1	0	366.469	1.345	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cnn3ncccc23)C[C@H]1c1cnn(C)c1	ZINC001086982671	952995808	/nfs/dbraw/zinc/99/58/08/952995808.db2.gz	WWLVZEOWASVSDW-DLBZAZTESA-N	1	0	365.441	1.237	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2nc(CC)c[nH]2)C[C@H]1c1cnn(C)c1	ZINC001086983043	952996561	/nfs/dbraw/zinc/99/65/61/952996561.db2.gz	SSFRCLWJAFBJPW-DLBZAZTESA-N	1	0	356.474	1.408	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ncc(C)cc2OC)C[C@H]1c1cnn(C)c1	ZINC001086983096	952996637	/nfs/dbraw/zinc/99/66/37/952996637.db2.gz	WTMTUIHNHMPQTM-JKSUJKDBSA-N	1	0	355.442	1.516	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccccc2COC)C[C@H]1c1cnn(C)c1	ZINC001086985972	953004836	/nfs/dbraw/zinc/00/48/36/953004836.db2.gz	NZFNAGXBQYSPAB-RBUKOAKNSA-N	1	0	354.454	1.950	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)cc2F)C[C@H]1c1cnn(C)c1	ZINC001086986189	953005581	/nfs/dbraw/zinc/00/55/81/953005581.db2.gz	BCAMOOVRLGQFNR-FUHWJXTLSA-N	1	0	356.401	1.399	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cnc3nccn3c2)C[C@H]1c1cnn(C)c1	ZINC001086987328	953009621	/nfs/dbraw/zinc/00/96/21/953009621.db2.gz	LYYKSFJDZKUZCN-DLBZAZTESA-N	1	0	365.441	1.237	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCc2nc(C)cs2)C[C@H]1c1cnn(C)c1	ZINC001086987983	953011588	/nfs/dbraw/zinc/01/15/88/953011588.db2.gz	YDLDHRQZYNMWSF-JKSUJKDBSA-N	1	0	359.499	1.888	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3cnc(C)n3C2)C[C@H]1c1cnn(C)c1	ZINC001086993802	953028273	/nfs/dbraw/zinc/02/82/73/953028273.db2.gz	SDPQHGQMYRXKID-ZYSHUDEJSA-N	1	0	368.485	1.258	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccnn2C(C)C)C[C@H]1c1cnn(C)c1	ZINC001086980916	953030835	/nfs/dbraw/zinc/03/08/35/953030835.db2.gz	DICLQZZKWUZEEK-DLBZAZTESA-N	1	0	356.474	1.971	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccnn2CC(C)C)C[C@H]1c1cnn(C)c1	ZINC001086981506	953033159	/nfs/dbraw/zinc/03/31/59/953033159.db2.gz	MYWWDXSNZYEOHS-DLBZAZTESA-N	1	0	356.474	1.656	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c(Cl)n[nH]c2CC)C[C@H]1c1cnn(C)c1	ZINC001086981947	953034543	/nfs/dbraw/zinc/03/45/43/953034543.db2.gz	LVYAYEXTKMRTSD-GXTWGEPZSA-N	1	0	362.865	1.743	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(CC)ncnc2CC)C[C@H]1c1cnn(C)c1	ZINC001086997279	953040078	/nfs/dbraw/zinc/04/00/78/953040078.db2.gz	WAKNYWOWQWQAGH-MAUKXSAKSA-N	1	0	366.469	1.166	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C[C@H]1c1cnn(C)c1	ZINC001086998278	953042183	/nfs/dbraw/zinc/04/21/83/953042183.db2.gz	BKVSKQZBZUAWPG-ZSYWTGECSA-N	1	0	368.485	1.417	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)c(F)c2F)C[C@H]1c1cnn(C)c1	ZINC001086998329	953042230	/nfs/dbraw/zinc/04/22/30/953042230.db2.gz	DSQUPPOKFLLZIC-JKSUJKDBSA-N	1	0	358.392	1.838	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCc2csc(C)n2)C[C@H]1c1cnn(C)c1	ZINC001087000143	953049371	/nfs/dbraw/zinc/04/93/71/953049371.db2.gz	IVHYMKVCVAWLBA-DLBZAZTESA-N	1	0	359.499	1.888	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(Cl)s2)C[C@H]1c1cnn(C)c1	ZINC001087000987	953054030	/nfs/dbraw/zinc/05/40/30/953054030.db2.gz	YOUOVYMBBKDICQ-LSDHHAIUSA-N	1	0	362.886	1.895	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc3c2ccn3C)C[C@H]1c1cnn(C)c1	ZINC001087002433	953058114	/nfs/dbraw/zinc/05/81/14/953058114.db2.gz	ZDCZAGYWHLGHNS-RBUKOAKNSA-N	1	0	361.449	1.743	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cn(C(C)C)nn2)C[C@H]1c1cnn(C)c1	ZINC001087004313	953061957	/nfs/dbraw/zinc/06/19/57/953061957.db2.gz	RLWCZHKAEDRRDH-JKSUJKDBSA-N	1	0	357.462	1.366	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1c1cnn(C)c1	ZINC001087005461	953064889	/nfs/dbraw/zinc/06/48/89/953064889.db2.gz	DNRIPGCYLHAHQL-BHYGNILZSA-N	1	0	365.909	1.398	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C3CCCC3)C[C@H]2OCC)C1=O	ZINC001087016900	953073633	/nfs/dbraw/zinc/07/36/33/953073633.db2.gz	BWGOVNZCPKQKPV-KZNAEPCWSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3nnn(C)c3c2)C[C@H]1c1cnn(C)c1	ZINC001087007688	953093420	/nfs/dbraw/zinc/09/34/20/953093420.db2.gz	QNYDGICIKXUVEL-DOTOQJQBSA-N	1	0	365.441	1.086	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C[C@H]1c1cnn(C)c1	ZINC001087011884	953105029	/nfs/dbraw/zinc/10/50/29/953105029.db2.gz	VTGMDOSTHWLTOU-ZGXWSNOMSA-N	1	0	366.440	1.880	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3cccc(C)c3O2)C[C@H]1c1cnn(C)c1	ZINC001087012515	953106773	/nfs/dbraw/zinc/10/67/73/953106773.db2.gz	BDYCQTFBGJRLJJ-OTWHNJEPSA-N	1	0	364.449	1.249	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3cccc(C)c3O2)C[C@H]1c1cnn(C)c1	ZINC001087012514	953106975	/nfs/dbraw/zinc/10/69/75/953106975.db2.gz	BDYCQTFBGJRLJJ-IPMKNSEASA-N	1	0	364.449	1.249	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087024015	953140178	/nfs/dbraw/zinc/14/01/78/953140178.db2.gz	KJVGNGWWANKWNH-IEBWSBKVSA-N	1	0	367.453	1.559	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1nc2c(o1)CCCC2	ZINC001087036104	953146895	/nfs/dbraw/zinc/14/68/95/953146895.db2.gz	YSQFSMXUVNZART-JJRVBVJISA-N	1	0	360.458	1.666	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CCC3CC3)C[C@H]2OCC)C1=O	ZINC001087037036	953149044	/nfs/dbraw/zinc/14/90/44/953149044.db2.gz	RSZSBMHXTFCOKW-FGTMMUONSA-N	1	0	363.502	1.417	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1nnc(C2CC2)n1C	ZINC001087052861	953184372	/nfs/dbraw/zinc/18/43/72/953184372.db2.gz	OESCUHWLUMXKGY-IAGOWNOFSA-N	1	0	371.485	1.059	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+][C@H](C)c1ncccn1	ZINC001087046086	953193193	/nfs/dbraw/zinc/19/31/93/953193193.db2.gz	JLTOADHSEOQFBE-CKEIUWERSA-N	1	0	368.441	1.504	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3ncccn3)[C@H](OCC)C2)c1	ZINC001087082288	953240649	/nfs/dbraw/zinc/24/06/49/953240649.db2.gz	FBTXMIAQCFFYBZ-QZTJIDSGSA-N	1	0	365.437	1.120	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3ncc(C)o3)[C@H](OCC)C2)c1	ZINC001087082434	953241195	/nfs/dbraw/zinc/24/11/95/953241195.db2.gz	LTKBDJFEVQNPPE-QZTJIDSGSA-N	1	0	368.437	1.626	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3cscn3)[C@H](OCC)C2)c1	ZINC001087082646	953241381	/nfs/dbraw/zinc/24/13/81/953241381.db2.gz	UWJFRARYUMSBIN-SJLPKXTDSA-N	1	0	370.478	1.786	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2nc(C)c[nH]2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087089960	953253440	/nfs/dbraw/zinc/25/34/40/953253440.db2.gz	NGJJPOQFZNCYFS-QZTJIDSGSA-N	1	0	367.453	1.857	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)c3nc4ncc(C)cn4n3)C[C@]2(C)C1	ZINC001091769807	953292771	/nfs/dbraw/zinc/29/27/71/953292771.db2.gz	NZSBNPWIMNMVRP-BEFAXECRSA-N	1	0	354.458	1.793	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4[nH]c(C)cc4C)C[C@]3(C)C2)C1=O	ZINC001091789664	953309622	/nfs/dbraw/zinc/30/96/22/953309622.db2.gz	MXDXQRVAHBKJJZ-LZJOCLMNSA-N	1	0	370.497	1.812	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)Cc4ccccc4)C[C@]3(C)C2)C1=O	ZINC001091792622	953315102	/nfs/dbraw/zinc/31/51/02/953315102.db2.gz	IJPPMEDDWKXBRT-DXIQSLLYSA-N	1	0	367.493	1.796	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)CCN1c1nc(C)cc(C#N)n1	ZINC001091807323	953338191	/nfs/dbraw/zinc/33/81/91/953338191.db2.gz	YOWCBLWCQCVTOL-GVDBMIGSSA-N	1	0	356.474	1.470	20	30		FDEDRO
CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)c2cc(-c3cccc(C#N)c3)on2)O1	ZINC001196774269	971925779	/nfs/dbraw/zinc/92/57/79/971925779.db2.gz	GQAXDDYZOBGUKS-LMMKCTJWSA-N	1	0	370.409	1.668	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CCN1c1cnc(C#N)cn1	ZINC001091826191	953500676	/nfs/dbraw/zinc/50/06/76/953500676.db2.gz	LBNSKNUAOUXWSM-JKSUJKDBSA-N	1	0	358.490	1.800	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(OC)cc3)C[C@]2(C)C1	ZINC001091828274	953507435	/nfs/dbraw/zinc/50/74/35/953507435.db2.gz	LZNYPGLDJZCMAA-QRWLVFNGSA-N	1	0	355.438	1.437	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@@]2(C)C1	ZINC001091978659	953974588	/nfs/dbraw/zinc/97/45/88/953974588.db2.gz	ZWVJMIRUBJCTSC-AHRSYUTCSA-N	1	0	363.502	1.228	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)c3c(C)c[nH]c3CC(N)=O)C[C@]2(C)C1	ZINC001092033685	953991264	/nfs/dbraw/zinc/99/12/64/953991264.db2.gz	JROFGMLEQDYZSF-QRWLVFNGSA-N	1	0	358.486	1.711	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1F)C2	ZINC001092017693	954074366	/nfs/dbraw/zinc/07/43/66/954074366.db2.gz	NOXUCMWLLVMXDO-DICRZQGBSA-N	1	0	370.428	1.099	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cc(OC)ccn3)C[C@@]2(C)C1	ZINC001092029840	954128581	/nfs/dbraw/zinc/12/85/81/954128581.db2.gz	KUICZSRRZGYYDJ-ZXFPDNNPSA-N	1	0	371.481	1.962	20	30		FDEDRO
C[C@]12CN(C(=O)Cc3cnc[nH]3)C[C@H]1C[N@H+](Cc1cc(C#N)ccc1F)C2	ZINC001092052560	954146238	/nfs/dbraw/zinc/14/62/38/954146238.db2.gz	KYFDXUCBQPSYTK-UZLBHIALSA-N	1	0	367.428	1.943	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3C[N@@H+](Cc4cc(C)ncn4)C[C@@]3(C)C2)nn1	ZINC001092079701	954226952	/nfs/dbraw/zinc/22/69/52/954226952.db2.gz	UJYAOPLITNNEBK-BEFAXECRSA-N	1	0	367.457	1.157	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@@]2(C)C1	ZINC001092090101	954381682	/nfs/dbraw/zinc/38/16/82/954381682.db2.gz	BDAZOHXSWAZKAI-CQEAQJRCSA-N	1	0	361.486	1.027	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)C3CCC(C(=O)N(C)C)CC3)C[C@]2(C)C1	ZINC001092192428	954499443	/nfs/dbraw/zinc/49/94/43/954499443.db2.gz	MSNOSJJRUYZTHS-PKZBPHAMSA-N	1	0	359.514	1.685	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)CN3Cc4ccccc4C3=O)C[C@]2(C)C1	ZINC001092210688	954617709	/nfs/dbraw/zinc/61/77/09/954617709.db2.gz	PKJOQRBKNGCRJA-UTKZUKDTSA-N	1	0	351.450	1.446	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C[C@]2(C)C1	ZINC001092267344	954635971	/nfs/dbraw/zinc/63/59/71/954635971.db2.gz	VJBHFUIDPXHGJZ-LZJOCLMNSA-N	1	0	357.498	1.581	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C[C@]2(C)C1	ZINC001092267343	954636099	/nfs/dbraw/zinc/63/60/99/954636099.db2.gz	VJBHFUIDPXHGJZ-FVJLSDCUSA-N	1	0	357.498	1.581	20	30		FDEDRO
Cc1nc(N2C[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@]3(C)C2)ccc1C#N	ZINC001092305150	954767882	/nfs/dbraw/zinc/76/78/82/954767882.db2.gz	CZFHPZMMABFAEA-XLIONFOSSA-N	1	0	355.486	1.888	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cc(C)nc4cc(C)nn43)C[C@]2(C)C1	ZINC001092286051	954863965	/nfs/dbraw/zinc/86/39/65/954863965.db2.gz	IYHODXOBRVWLFV-UZLBHIALSA-N	1	0	351.454	1.763	20	30		FDEDRO
C=C[C@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@]2(C)C1)c1ccccc1	ZINC001092294515	954902857	/nfs/dbraw/zinc/90/28/57/954902857.db2.gz	VNIGCETVUKCXBR-LQWHRVPQSA-N	1	0	355.482	1.825	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H]3CN(C(=O)CC[N@@H+](C)CC)C[C@]3(C)C2)n1	ZINC001092295970	954905993	/nfs/dbraw/zinc/90/59/93/954905993.db2.gz	RMGDZQQKZZUJRY-QRWLVFNGSA-N	1	0	370.501	1.537	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCCN3C(=O)CCC)C[C@]2(C)C1	ZINC001092296501	954908599	/nfs/dbraw/zinc/90/85/99/954908599.db2.gz	IZOHOSFIRVLICJ-OPYAIIAOSA-N	1	0	359.514	1.971	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CNC(=O)C[NH+]1CCC(C)CC1	ZINC001092393710	954995712	/nfs/dbraw/zinc/99/57/12/954995712.db2.gz	IQLUNTNYBWPYRA-HZPDHXFCSA-N	1	0	356.474	1.269	20	30		FDEDRO
C[C@H](C(=O)NC[C@@H]1CN(c2nccnc2C#N)C[C@H]1C)[NH+]1CCCCCC1	ZINC001092404840	955026104	/nfs/dbraw/zinc/02/61/04/955026104.db2.gz	CIBBTGQCCRVVOZ-BRWVUGGUSA-N	1	0	370.501	1.801	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1	ZINC001092423454	955059925	/nfs/dbraw/zinc/05/99/25/955059925.db2.gz	KNGZFWKBHQWYLY-OGWOLHLISA-N	1	0	368.485	1.411	20	30		FDEDRO
C[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H]1CNC(=O)CC[NH+](C)C	ZINC001092438297	955098054	/nfs/dbraw/zinc/09/80/54/955098054.db2.gz	VMUCLOCXUODBJQ-GHMZBOCLSA-N	1	0	355.895	1.808	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)c1ccc(=O)[nH]n1	ZINC001092439109	955102401	/nfs/dbraw/zinc/10/24/01/955102401.db2.gz	WWCVCLBVXAFCBK-IUODEOHRSA-N	1	0	369.400	1.691	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C	ZINC001092411603	955139222	/nfs/dbraw/zinc/13/92/22/955139222.db2.gz	KWTIGPVOYWJGRM-FMKPAKJESA-N	1	0	362.453	1.217	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](CNC(=O)c3ccn[nH]3)[C@H](C)C2)c1	ZINC001092478962	955227785	/nfs/dbraw/zinc/22/77/85/955227785.db2.gz	ONASKPWCPWEJCD-GDBMZVCRSA-N	1	0	365.437	1.327	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3CCC[N@@H+]3C)C2)n1	ZINC001092484443	955240047	/nfs/dbraw/zinc/24/00/47/955240047.db2.gz	OQQFMUXMWKQGFD-INMHGKMJSA-N	1	0	370.501	1.583	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H](C)[C@H](CCNC(=O)[C@H]3CCC[N@@H+]3C)C2)n1	ZINC001092484442	955240251	/nfs/dbraw/zinc/24/02/51/955240251.db2.gz	OQQFMUXMWKQGFD-BFYDXBDKSA-N	1	0	370.501	1.583	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CN(C)CCO1	ZINC001092522872	955316473	/nfs/dbraw/zinc/31/64/73/955316473.db2.gz	WPYIRXJEPISDNH-MISYRCLQSA-N	1	0	355.482	1.053	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CCNC(=O)CCC[NH+]1CCCC1	ZINC001092523446	955320262	/nfs/dbraw/zinc/32/02/62/955320262.db2.gz	JOSNDOHPEWYIHY-IAGOWNOFSA-N	1	0	370.501	1.803	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC001092553206	955414188	/nfs/dbraw/zinc/41/41/88/955414188.db2.gz	APDRDPROXNKUHD-UKRRQHHQSA-N	1	0	357.458	1.243	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C	ZINC001092595279	955589383	/nfs/dbraw/zinc/58/93/83/955589383.db2.gz	HELOWZDZRKUOPX-JFIYKMOQSA-N	1	0	370.501	1.801	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC001092573396	955688306	/nfs/dbraw/zinc/68/83/06/955688306.db2.gz	QKKFCAIDFPSIQH-LTIDMASMSA-N	1	0	370.501	1.657	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1CNC(=O)c1ncn(C)n1	ZINC001092583607	955728026	/nfs/dbraw/zinc/72/80/26/955728026.db2.gz	IBOXLDDTGFKQDQ-GDBMZVCRSA-N	1	0	371.872	1.818	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3cc4occc4[nH]3)[C@H](C)C2)C1=O	ZINC001092651297	955803254	/nfs/dbraw/zinc/80/32/54/955803254.db2.gz	OPHQPUWHGCFHDA-CPUCHLNUSA-N	1	0	370.453	1.846	20	30		FDEDRO
Cc1cc(C#N)nc(NCC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)n1	ZINC001092627683	955884097	/nfs/dbraw/zinc/88/40/97/955884097.db2.gz	WHEKBBKWFMRWOF-GDBMZVCRSA-N	1	0	358.490	1.895	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](C[C@H](O)COCC(C)C)CC1	ZINC001197196544	972139012	/nfs/dbraw/zinc/13/90/12/972139012.db2.gz	WDDCSNVWAUUCJD-KSZLIROESA-N	1	0	354.491	1.145	20	30		FDEDRO
CCN1C[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)CC1=O	ZINC001092654832	955907181	/nfs/dbraw/zinc/90/71/81/955907181.db2.gz	GBNDKNWAFRJZDG-ATZDWAIDSA-N	1	0	368.481	1.611	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CC(=O)N(C)C1	ZINC001092656104	955914575	/nfs/dbraw/zinc/91/45/75/955914575.db2.gz	YCCQJHZSWCXBFV-NZSAHSFTSA-N	1	0	353.466	1.201	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C	ZINC001092689316	956196394	/nfs/dbraw/zinc/19/63/94/956196394.db2.gz	ILCRJLMLRPJEJI-MDZRGWNJSA-N	1	0	370.522	1.901	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)[C@H](C)C1	ZINC001092725722	956315164	/nfs/dbraw/zinc/31/51/64/956315164.db2.gz	XKILVYWTEYCAKO-SYQHCUMBSA-N	1	0	350.381	1.593	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](CNC(=O)c2ccc(=O)n(CCOC)c2)[C@H](C)C1	ZINC001092769808	956392802	/nfs/dbraw/zinc/39/28/02/956392802.db2.gz	HINMMDXFQTVHSW-SJLPKXTDSA-N	1	0	361.486	1.759	20	30		FDEDRO
N#Cc1cncc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+]2CCCC2)C3)n1	ZINC001092847457	956488426	/nfs/dbraw/zinc/48/84/26/956488426.db2.gz	OLRCGJMFEXTHQA-IKGGRYGDSA-N	1	0	354.458	1.450	20	30		FDEDRO
N#Cc1nccc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+]2CCCC2)C3)n1	ZINC001092847553	956488633	/nfs/dbraw/zinc/48/86/33/956488633.db2.gz	TZDJOGDSBBPGHN-PMPSAXMXSA-N	1	0	354.458	1.450	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)c1cn(C)ccc1=O	ZINC001092813560	956506532	/nfs/dbraw/zinc/50/65/32/956506532.db2.gz	OOYMRAGMSVCTMP-ZIAGYGMSSA-N	1	0	370.478	1.816	20	30		FDEDRO
CCc1nc(C#N)cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[N@@H+](C)CC)C3)n1	ZINC001092874217	956611542	/nfs/dbraw/zinc/61/15/42/956611542.db2.gz	UYDSHNQLPGNBSF-PMPSAXMXSA-N	1	0	356.474	1.478	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@H]2C)cc1	ZINC001092874734	956614636	/nfs/dbraw/zinc/61/46/36/956614636.db2.gz	WUQOVRQRIVQLGN-CRAIPNDOSA-N	1	0	353.466	1.586	20	30		FDEDRO
Cc1ccc(C#N)c(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C3)n1	ZINC001092886399	956672853	/nfs/dbraw/zinc/67/28/53/956672853.db2.gz	JICBJLGKVYBNJV-OWSLCNJRSA-N	1	0	353.470	1.828	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)c1c[nH]c(=O)n1C	ZINC001092886542	956674554	/nfs/dbraw/zinc/67/45/54/956674554.db2.gz	VHCISZZDYDUWCH-VXGBXAGGSA-N	1	0	359.455	1.557	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)c1c[nH]c(=O)n1C	ZINC001092886583	956674679	/nfs/dbraw/zinc/67/46/79/956674679.db2.gz	WEFBIUBFSMPZAJ-IUODEOHRSA-N	1	0	371.416	1.634	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(=O)N(C)C(C)C)CC2)C1	ZINC001197327092	972208190	/nfs/dbraw/zinc/20/81/90/972208190.db2.gz	OQXTWFXZDVOXIK-IAGOWNOFSA-N	1	0	367.534	1.765	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@H](C)C2)cc1C#N	ZINC001092890216	956803145	/nfs/dbraw/zinc/80/31/45/956803145.db2.gz	SKSRSNXNKGNOKK-REPJOTQGSA-N	1	0	369.465	1.643	20	30		FDEDRO
Cc1nc[nH]c(=O)c1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C	ZINC001092903336	956845420	/nfs/dbraw/zinc/84/54/20/956845420.db2.gz	IZNKJBSYTYHKEK-DGCLKSJQSA-N	1	0	371.466	1.922	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N	ZINC001092926650	956931298	/nfs/dbraw/zinc/93/12/98/956931298.db2.gz	IXICBWRUFNUJIN-IVSAIRAKSA-N	1	0	354.458	1.449	20	30		FDEDRO
C=C1CCC(C(=O)NC[C@@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]2C)CC1	ZINC001092939886	956963948	/nfs/dbraw/zinc/96/39/48/956963948.db2.gz	BMEDRCZSJHMNIF-JFIYKMOQSA-N	1	0	368.543	1.852	20	30		FDEDRO
Cc1cc(C#N)nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC[NH+]2CCCC2)C3)n1	ZINC001092979705	956981886	/nfs/dbraw/zinc/98/18/86/956981886.db2.gz	ICZLWAGJMCCPGC-KURKYZTESA-N	1	0	368.485	1.759	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2snnc2C)C[C@H]1C	ZINC001092981581	956985889	/nfs/dbraw/zinc/98/58/89/956985889.db2.gz	DIAUEXRPHLYJMB-NGFQHRJXSA-N	1	0	350.488	1.622	20	30		FDEDRO
CCc1nc(C#N)cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@H+](C)C(C)C)C3)n1	ZINC001092981784	956986770	/nfs/dbraw/zinc/98/67/70/956986770.db2.gz	BARJTWXACSCNDE-OAGGEKHMSA-N	1	0	356.474	1.477	20	30		FDEDRO
N#Cc1cncc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+]2CCCCC2)C3)n1	ZINC001092981863	956987143	/nfs/dbraw/zinc/98/71/43/956987143.db2.gz	CZQWKWRCBIBRGD-ZACQAIPSSA-N	1	0	354.458	1.450	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2csnc2OC)C[C@H]1C	ZINC001092982262	956988082	/nfs/dbraw/zinc/98/80/82/956988082.db2.gz	YEAWCSBBZPXCJI-XOUADPBQSA-N	1	0	365.499	1.927	20	30		FDEDRO
CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1)[NH+](CC)CC	ZINC001093042727	957206047	/nfs/dbraw/zinc/20/60/47/957206047.db2.gz	HCBPBOBBNAKIMR-NCOADZHNSA-N	1	0	356.474	1.695	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)[C@H](C)C1	ZINC001093044061	957207727	/nfs/dbraw/zinc/20/77/27/957207727.db2.gz	VQOVGFICBSWNHE-VYCZESIESA-N	1	0	356.470	1.471	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cncc(OC)n2)C[C@H]1C	ZINC001093048462	957217457	/nfs/dbraw/zinc/21/74/57/957217457.db2.gz	HRHKRHLKFXNTQK-RRIFGTCXSA-N	1	0	374.485	1.651	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)c1cnn(C)n1	ZINC001093052236	957227424	/nfs/dbraw/zinc/22/74/24/957227424.db2.gz	XQNMCUHMSOIGOX-GDBMZVCRSA-N	1	0	368.441	1.215	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@H+](Cc3cccnc3OC)C[C@H]2C)nn1	ZINC001093035235	957253439	/nfs/dbraw/zinc/25/34/39/957253439.db2.gz	UAJNAADYLBFASL-GDBMZVCRSA-N	1	0	370.457	1.366	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(C)nc3C)C[C@H]2C)nn1	ZINC001093035189	957253666	/nfs/dbraw/zinc/25/36/66/957253666.db2.gz	RIUXSCFULSCRMH-RDTXWAMCSA-N	1	0	368.485	1.974	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ocnc3C)C[C@H]2C)nn1	ZINC001093040348	957264401	/nfs/dbraw/zinc/26/44/01/957264401.db2.gz	NKKBYDVFOLPENT-UKRRQHHQSA-N	1	0	358.446	1.649	20	30		FDEDRO
N#Cc1nccc(N2C[C@@H]3CCC[C@]3(NC(=O)CC[NH+]3CCCCC3)C2)n1	ZINC001093087431	957298503	/nfs/dbraw/zinc/29/85/03/957298503.db2.gz	GFWJJYGRCJLQBS-JXFKEZNVSA-N	1	0	368.485	1.699	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)c1ncccn1	ZINC001093072402	957329112	/nfs/dbraw/zinc/32/91/12/957329112.db2.gz	YSGZBUMSZOBLSY-CZUORRHYSA-N	1	0	353.401	1.985	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2CN(c2ccc(C#N)nc2)C3)CC1	ZINC001093104889	957458372	/nfs/dbraw/zinc/45/83/72/957458372.db2.gz	MQVOIZGQDWLSFC-YWZLYKJASA-N	1	0	353.470	1.770	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2CN(c2ccncc2C#N)C3)CC1	ZINC001093105140	957460126	/nfs/dbraw/zinc/46/01/26/957460126.db2.gz	YNWPRDWDKJCSKQ-JXFKEZNVSA-N	1	0	353.470	1.770	20	30		FDEDRO
C[N@H+](CC(=O)N[C@]12CCC[C@H]1CN(c1ncccc1C#N)C2)C1CCC1	ZINC001093105968	957466348	/nfs/dbraw/zinc/46/63/48/957466348.db2.gz	BINMSLNSVRTUMO-JXFKEZNVSA-N	1	0	353.470	1.913	20	30		FDEDRO
CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1CN(c1ncc(C#N)cc1F)C2	ZINC001093088817	957511070	/nfs/dbraw/zinc/51/10/70/957511070.db2.gz	RJAOVYVDGSUMRX-KXBFYZLASA-N	1	0	359.449	1.909	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(c1nc(C)cc(C#N)n1)C2	ZINC001093092166	957540349	/nfs/dbraw/zinc/54/03/49/957540349.db2.gz	HEMWRBLYTJVLGH-KXBFYZLASA-N	1	0	356.474	1.474	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(CNc2cnc(C#N)cn2)C1	ZINC001093124899	957590420	/nfs/dbraw/zinc/59/04/20/957590420.db2.gz	RMIZTSWOHUFGRM-KXBFYZLASA-N	1	0	356.474	1.731	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1C	ZINC001093137572	957630166	/nfs/dbraw/zinc/63/01/66/957630166.db2.gz	DRDQXFSYBSBFGF-IXDOHACOSA-N	1	0	357.454	1.428	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3cncc(OC)n3)C[C@H]2C)nc1	ZINC001093142977	957641039	/nfs/dbraw/zinc/64/10/39/957641039.db2.gz	MBYAIEXTIRDHDN-GDBMZVCRSA-N	1	0	365.437	1.359	20	30		FDEDRO
C[N@@H+]1CCCN(Cc2cccc(C(=O)N3CCN(CCC#N)CC3)c2)CC1	ZINC001197499156	972284974	/nfs/dbraw/zinc/28/49/74/972284974.db2.gz	AWULBBLWKJBZER-UHFFFAOYSA-N	1	0	369.513	1.496	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)c3cccn3CC)[C@H](C)C2)C1=O	ZINC001093199523	957771657	/nfs/dbraw/zinc/77/16/57/957771657.db2.gz	UIAVCHAHYZLSNA-NUJGCVRESA-N	1	0	358.486	1.593	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2C2CC2)c1	ZINC000962015074	1013162099	/nfs/dbraw/zinc/16/20/99/1013162099.db2.gz	GEZBAJYUWAEHRK-NJYSJTHYSA-N	1	0	363.461	1.699	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@@H]1CCCN1C(N)=O	ZINC001093253490	957933822	/nfs/dbraw/zinc/93/38/22/957933822.db2.gz	KBUDOQLOGRIWHV-OLMNPRSZSA-N	1	0	369.469	1.285	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)Cc3ccc[nH]3)C[C@H]2C)C1=O	ZINC001093292810	957989210	/nfs/dbraw/zinc/98/92/10/957989210.db2.gz	YGPXUZGBFISELX-JFIYKMOQSA-N	1	0	358.486	1.418	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(C)c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093430306	958051173	/nfs/dbraw/zinc/05/11/73/958051173.db2.gz	LFBLOOWBCZSHJL-SOAMZJECSA-N	1	0	360.502	1.884	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cnn(C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093438045	958070761	/nfs/dbraw/zinc/07/07/61/958070761.db2.gz	YMLASCGSSGJABW-IZBJGVDFSA-N	1	0	360.502	1.505	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cc(C)n[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093442864	958083123	/nfs/dbraw/zinc/08/31/23/958083123.db2.gz	KXQQKNDFPLITFG-LFGUQSLTSA-N	1	0	360.502	1.803	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)ncn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093443576	958085190	/nfs/dbraw/zinc/08/51/90/958085190.db2.gz	PLCMMGLJMBOYMR-FTEYMNFISA-N	1	0	358.486	1.941	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3CN(C(C)=O)C3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093444564	958090267	/nfs/dbraw/zinc/09/02/67/958090267.db2.gz	TVOLGIVNFSKUBO-MLYOOKFZSA-N	1	0	363.502	1.007	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(OC)ns3)[C@H]2C(C)C)C[C@H]1O	ZINC001093446361	958094300	/nfs/dbraw/zinc/09/43/00/958094300.db2.gz	HKACGDNDAXGHHW-GQGSAGHOSA-N	1	0	363.483	1.365	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(Cl)cnn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093446742	958096128	/nfs/dbraw/zinc/09/61/28/958096128.db2.gz	LJNFWMGCHRUILE-AHEZYBDSSA-N	1	0	364.877	1.286	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3ncc[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093447674	958101428	/nfs/dbraw/zinc/10/14/28/958101428.db2.gz	YLRYAWKEJLDSOP-XNFNUYLZSA-N	1	0	360.502	1.885	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnn3CCC)[C@H]2C(C)C)C[C@H]1O	ZINC001093448494	958109180	/nfs/dbraw/zinc/10/91/80/958109180.db2.gz	KMTHKXAPWOBQOD-LBKNJMOBSA-N	1	0	358.486	1.506	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccc(F)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093449085	958113193	/nfs/dbraw/zinc/11/31/93/958113193.db2.gz	FHEGAFRSLCJDKL-HNBVOPMISA-N	1	0	359.445	1.363	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cnn(C)c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093449239	958114743	/nfs/dbraw/zinc/11/47/43/958114743.db2.gz	NVNVSNCLZOXSNU-LFGUQSLTSA-N	1	0	360.502	1.423	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@@H]1C(C)C	ZINC001093449526	958116462	/nfs/dbraw/zinc/11/64/62/958116462.db2.gz	PHWVYCSOOLVKES-BSXFFOKHSA-N	1	0	358.910	1.724	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncc(OC)c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093449868	958119321	/nfs/dbraw/zinc/11/93/21/958119321.db2.gz	JMFXMVNOGATGQC-PLOVASNDSA-N	1	0	371.481	1.612	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn[nH]n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093460037	958185945	/nfs/dbraw/zinc/18/59/45/958185945.db2.gz	XPPPTZNTGUESMB-MEWXFMAXSA-N	1	0	353.854	1.137	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc4nccn43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093460023	958186065	/nfs/dbraw/zinc/18/60/65/958186065.db2.gz	XKGRXMVUFYFZRM-STQYRHOTSA-N	1	0	366.465	1.547	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C)nc3OC)[C@H]2C(C)C)C[C@H]1O	ZINC001093459922	958186121	/nfs/dbraw/zinc/18/61/21/958186121.db2.gz	NOLUTVKEXVJDHI-OAFZBRQQSA-N	1	0	362.474	1.194	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)C(C)(C)[NH+]2CCCC2)C[C@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001093460067	958186295	/nfs/dbraw/zinc/18/62/95/958186295.db2.gz	OVEKNVHNURPUEX-WWNBULGVSA-N	1	0	362.518	1.350	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C#C)cc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093460107	958187629	/nfs/dbraw/zinc/18/76/29/958187629.db2.gz	PFYMPHMQDOMMSE-XWSHUIEDSA-N	1	0	350.462	1.881	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CCO)C3)[C@@H]2C(C)C)CC1	ZINC001093463719	958196191	/nfs/dbraw/zinc/19/61/91/958196191.db2.gz	YMAHUMJKRGKAMV-FTEYMNFISA-N	1	0	350.503	1.691	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)CC2CC[NH+](C)CC2)C[C@@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001093464218	958199321	/nfs/dbraw/zinc/19/93/21/958199321.db2.gz	ASHWHIFLMRKVID-HNBVOPMISA-N	1	0	362.518	1.208	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(CCC)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093464167	958199549	/nfs/dbraw/zinc/19/95/49/958199549.db2.gz	ALRPOUDPDFHUEC-XSYGEPLQSA-N	1	0	358.486	1.506	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3n[nH]cc3F)[C@@H]2C(C)C)C[C@H]1O	ZINC001093465754	958205401	/nfs/dbraw/zinc/20/54/01/958205401.db2.gz	LMFYMRINKRNLKB-SZXPJGKVSA-N	1	0	350.438	1.705	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]C(C)C)C3)[C@H]2C(C)C)nn1	ZINC001093468364	958218330	/nfs/dbraw/zinc/21/83/30/958218330.db2.gz	YZIIXVDTRXAXLX-MYZZLAAOSA-N	1	0	361.490	1.452	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc4nc[nH]c43)[C@H]2C(C)C)C[C@H]1O	ZINC001093469624	958223288	/nfs/dbraw/zinc/22/32/88/958223288.db2.gz	JCOJRJYRLXNXQZ-PLOVASNDSA-N	1	0	366.465	1.776	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnoc3C3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093470879	958231734	/nfs/dbraw/zinc/23/17/34/958231734.db2.gz	ATRGNAAOIGJUIN-CIWUYKSXSA-N	1	0	357.454	1.765	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C#C)nc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093472003	958236570	/nfs/dbraw/zinc/23/65/70/958236570.db2.gz	HOZIGSSXPGMWFU-BNDYYXHWSA-N	1	0	351.450	1.276	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C#C)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093472286	958238352	/nfs/dbraw/zinc/23/83/52/958238352.db2.gz	ITTIEQYZJQIMSC-XCJLJZCSSA-N	1	0	351.450	1.276	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC)C2)[C@H]1C(C)C	ZINC001093472830	958241403	/nfs/dbraw/zinc/24/14/03/958241403.db2.gz	KXNBXFUIUXRSSG-NEYJZJCJSA-N	1	0	371.481	1.693	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(N(C)C)cc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093474639	958250056	/nfs/dbraw/zinc/25/00/56/958250056.db2.gz	TXSBMFYLJZIBQM-XWSHUIEDSA-N	1	0	369.509	1.966	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(CCF)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093452507	958256789	/nfs/dbraw/zinc/25/67/89/958256789.db2.gz	KAVYCGVJBWTKHT-VXIBKDFQSA-N	1	0	364.465	1.618	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(Cl)n(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093456478	958277952	/nfs/dbraw/zinc/27/79/52/958277952.db2.gz	DKRXQKPDRPOOPH-DEICHXMPSA-N	1	0	366.893	1.839	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc4n[nH]nc4c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093477788	958290024	/nfs/dbraw/zinc/29/00/24/958290024.db2.gz	MSZPUQIPDZUYSL-FTEYMNFISA-N	1	0	367.453	1.171	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(N(C)C)ccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093477871	958290560	/nfs/dbraw/zinc/29/05/60/958290560.db2.gz	AEBJVZXWLCQMQO-XCJLJZCSSA-N	1	0	370.497	1.361	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3nccs3)[C@H]2C(C)C)C[C@H]1O	ZINC001093478092	958291379	/nfs/dbraw/zinc/29/13/79/958291379.db2.gz	BSSBJQHBVGOWTQ-LTDCPUDJSA-N	1	0	361.511	1.675	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nc(C)c(C)s3)[C@H]2C(C)C)C[C@H]1O	ZINC001093478308	958293501	/nfs/dbraw/zinc/29/35/01/958293501.db2.gz	DRCWWPIUYJXWHD-JEWRLFTDSA-N	1	0	361.511	1.973	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001093621558	958354170	/nfs/dbraw/zinc/35/41/70/958354170.db2.gz	VMHMOFDBDYXAKS-CZUORRHYSA-N	1	0	359.401	1.770	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)/C=C\c3ccco3)C[C@H]2C)C1=O	ZINC001093616618	958377247	/nfs/dbraw/zinc/37/72/47/958377247.db2.gz	ZKRMFTOQOBPVRW-VUROMXLHSA-N	1	0	357.454	1.764	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001093630434	958389943	/nfs/dbraw/zinc/38/99/43/958389943.db2.gz	QSZNBGIMJVHNGL-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001093635039	958398456	/nfs/dbraw/zinc/39/84/56/958398456.db2.gz	JGRPUKDKTZLRPA-RHSMWYFYSA-N	1	0	355.417	1.778	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3scnc3C)C[C@H]2C)C1=O	ZINC001093652832	958439215	/nfs/dbraw/zinc/43/92/15/958439215.db2.gz	RNGXHGGKBFXFQB-YUELXQCFSA-N	1	0	362.499	1.536	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001093669678	958475547	/nfs/dbraw/zinc/47/55/47/958475547.db2.gz	LPBWJMVLVSZBLT-RDTXWAMCSA-N	1	0	369.444	1.858	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C(=O)N(C)C)cc2)[C@H](C)C1	ZINC001093672830	958514783	/nfs/dbraw/zinc/51/47/83/958514783.db2.gz	FUQVVPYOBZXXRP-HDMKZQKVSA-N	1	0	356.470	1.732	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2c(Br)cnn2C)[C@H](C)C1	ZINC001093677853	958530233	/nfs/dbraw/zinc/53/02/33/958530233.db2.gz	FVNDKMXRPWSGKU-IJLUTSLNSA-N	1	0	368.279	1.526	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2nc3ccsc3c(=O)[nH]2)[C@H](C)C1	ZINC001093678065	958530603	/nfs/dbraw/zinc/53/06/03/958530603.db2.gz	GXTILEINZMPTMV-QJPTWQEYSA-N	1	0	359.455	1.741	20	30		FDEDRO
C#C[C@H](NCC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CCCO1	ZINC000775783743	972358986	/nfs/dbraw/zinc/35/89/86/972358986.db2.gz	CZVAPZFMRAWQOR-RBUKOAKNSA-N	1	0	369.465	1.309	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]C[C@@H]1CCNC(=O)CC1	ZINC001093722452	958598252	/nfs/dbraw/zinc/59/82/52/958598252.db2.gz	FGYFRUDIMDZCOA-QLFBSQMISA-N	1	0	357.458	1.100	20	30		FDEDRO
CC(C)c1nnc(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)n1C	ZINC001093725723	958609252	/nfs/dbraw/zinc/60/92/52/958609252.db2.gz	BEWYPXJBTNECCM-UKRRQHHQSA-N	1	0	369.473	1.636	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3coc(CC)n3)C[C@H]2C)C1=O	ZINC001093727953	958615851	/nfs/dbraw/zinc/61/58/51/958615851.db2.gz	RRKABQZZJQZKGO-KFWWJZLASA-N	1	0	360.458	1.322	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3csnc3C)C[C@H]2C)C1=O	ZINC001093728732	958620864	/nfs/dbraw/zinc/62/08/64/958620864.db2.gz	QMEGVJACHQRPDV-XPKDYRNWSA-N	1	0	362.499	1.536	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001093753012	958680219	/nfs/dbraw/zinc/68/02/19/958680219.db2.gz	MPOHSQXMSQNDJC-IUODEOHRSA-N	1	0	356.405	1.324	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N3CCCC3)nn2)C1	ZINC001197699542	972369937	/nfs/dbraw/zinc/36/99/37/972369937.db2.gz	OQWCJOAJRBDSPJ-USXIJHARSA-N	1	0	359.474	1.206	20	30		FDEDRO
C[C@@H]1CN(C(=O)CO[C@@H]2CCOC2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093768014	958717779	/nfs/dbraw/zinc/71/77/79/958717779.db2.gz	IZZLAROJLJMBKL-ATZDWAIDSA-N	1	0	357.454	1.548	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093778277	958872058	/nfs/dbraw/zinc/87/20/58/958872058.db2.gz	OSHRZINQQQPVDV-VMUDFCTBSA-N	1	0	374.510	1.719	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093818783	958879615	/nfs/dbraw/zinc/87/96/15/958879615.db2.gz	CYJQMTQAGGEWAG-HZSPNIEDSA-N	1	0	360.483	1.330	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnc(C)cn2)[C@H](C)C1	ZINC001093833019	958927148	/nfs/dbraw/zinc/92/71/48/958927148.db2.gz	NEPODTAVSMIFDT-SUMDDJOVSA-N	1	0	355.486	1.067	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cc(C3CC3)no2)[C@H](C)C1	ZINC001093833165	958928572	/nfs/dbraw/zinc/92/85/72/958928572.db2.gz	VKRUHKUEXICCSV-MDYRTPRTSA-N	1	0	370.497	1.834	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2C#N)[C@H](C)C1	ZINC001093844090	958963168	/nfs/dbraw/zinc/96/31/68/958963168.db2.gz	ZYEOWMLFPZTFDD-IAQYHMDHSA-N	1	0	371.416	1.932	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2c(C)nn(CC)c2C)CC1	ZINC000636675915	1013184742	/nfs/dbraw/zinc/18/47/42/1013184742.db2.gz	CRRJQXDMMVYERM-UHFFFAOYSA-N	1	0	361.490	1.245	20	30		FDEDRO
CCn1nnc(C)c1C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1	ZINC001093816141	959003862	/nfs/dbraw/zinc/00/38/62/959003862.db2.gz	BYQACFWJCZMWQT-RDTXWAMCSA-N	1	0	366.469	1.976	20	30		FDEDRO
C#C[C@@H]([NH2+]CCC(=O)N1CCN(c2ccc(F)cc2)CC1)[C@H]1CCCO1	ZINC000775785567	972398993	/nfs/dbraw/zinc/39/89/93/972398993.db2.gz	PYPXYLZFLXFRCP-RTBURBONSA-N	1	0	359.445	1.635	20	30		FDEDRO
C[C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093887180	959130456	/nfs/dbraw/zinc/13/04/56/959130456.db2.gz	MGSZPHSIVAGKRH-VQIMIIECSA-N	1	0	368.481	1.755	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc3nc(C)nn32)C1	ZINC001197751614	972413629	/nfs/dbraw/zinc/41/36/29/972413629.db2.gz	CAKGQVPHQZZNRL-GDBMZVCRSA-N	1	0	360.462	1.178	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1	ZINC000119126692	972414723	/nfs/dbraw/zinc/41/47/23/972414723.db2.gz	NKLFOJPWAZGXCJ-CQSZACIVSA-N	1	0	374.416	1.611	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2nc(CCOC)no2)[C@H](C)C1	ZINC001093965865	959376093	/nfs/dbraw/zinc/37/60/93/959376093.db2.gz	VOGVLTWHJOCEQP-ZIAGYGMSSA-N	1	0	350.463	1.655	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1C	ZINC001093987836	959431875	/nfs/dbraw/zinc/43/18/75/959431875.db2.gz	BRARMRYDSNSZQQ-RDTXWAMCSA-N	1	0	368.437	1.982	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C3(C(F)F)CCC3)C[C@H]2C)C1=O	ZINC001093991378	959443123	/nfs/dbraw/zinc/44/31/23/959443123.db2.gz	SUXWSYUTIWTFFR-RBSFLKMASA-N	1	0	369.456	1.893	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001094008360	959503283	/nfs/dbraw/zinc/50/32/83/959503283.db2.gz	QOEUFIHYPYVHBV-IUODEOHRSA-N	1	0	358.417	1.147	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001094023147	959541109	/nfs/dbraw/zinc/54/11/09/959541109.db2.gz	JGDJFDIIRRHRKD-ZTQAJYAQSA-N	1	0	354.454	1.411	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3nn(CC)nc3C)[C@H](C)C2)c1	ZINC001094027930	959549179	/nfs/dbraw/zinc/54/91/79/959549179.db2.gz	KAQHQAKICOWEQS-RDTXWAMCSA-N	1	0	366.469	1.481	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3ccnc(OC)c3)[C@H](C)C2)c1	ZINC001094028040	959550212	/nfs/dbraw/zinc/55/02/12/959550212.db2.gz	OWHCOGBDHDLNES-DNVCBOLYSA-N	1	0	364.449	1.964	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+][C@@H]3CCN(C(C)C)C3=O)[C@H](C)C2)c1	ZINC001094028241	959550334	/nfs/dbraw/zinc/55/03/34/959550334.db2.gz	WJUAIDQHVGRHFR-ATZDWAIDSA-N	1	0	368.481	1.370	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001094048095	959618518	/nfs/dbraw/zinc/61/85/18/959618518.db2.gz	LUEWEROPIJUTHH-CRAIPNDOSA-N	1	0	366.469	1.504	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccnc(OC)c2)[C@H](C)C1	ZINC001094055297	959647026	/nfs/dbraw/zinc/64/70/26/959647026.db2.gz	RQBHUUBHPRFQER-DDBAPUKQSA-N	1	0	359.470	1.865	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C2	ZINC001110153292	959668163	/nfs/dbraw/zinc/66/81/63/959668163.db2.gz	RHSCHKCXCQZNBP-AIANPOQGSA-N	1	0	374.489	1.056	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ccn(C)n3)[C@H](C)C2)cc1	ZINC001094093507	959764540	/nfs/dbraw/zinc/76/45/40/959764540.db2.gz	VQJTWKNZDHZTQC-SJLPKXTDSA-N	1	0	366.465	1.930	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(OC)cc3)[C@H](C)C2)nn1	ZINC001094095024	959770587	/nfs/dbraw/zinc/77/05/87/959770587.db2.gz	AHKYPEFDRMDESJ-NVXWUHKLSA-N	1	0	369.469	1.971	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3conc3CC)[C@H](C)C2)nn1	ZINC001094095310	959772108	/nfs/dbraw/zinc/77/21/08/959772108.db2.gz	MRZHCPKYPWFRGL-ZIAGYGMSSA-N	1	0	358.446	1.512	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001094108406	959785762	/nfs/dbraw/zinc/78/57/62/959785762.db2.gz	BAXHUQIKGGJDAY-IUODEOHRSA-N	1	0	356.405	1.324	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001094125721	959831825	/nfs/dbraw/zinc/83/18/25/959831825.db2.gz	CEXZXQMPQGIBOH-CZUORRHYSA-N	1	0	353.401	1.985	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001094107186	959892982	/nfs/dbraw/zinc/89/29/82/959892982.db2.gz	IXADKXFQVHTOJH-OLMNPRSZSA-N	1	0	354.454	1.411	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001094156751	959927385	/nfs/dbraw/zinc/92/73/85/959927385.db2.gz	GRQBCIWKFWTLTP-IUODEOHRSA-N	1	0	356.405	1.242	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCCCO2)[C@H](C)C1	ZINC001094174019	959975032	/nfs/dbraw/zinc/97/50/32/959975032.db2.gz	MWSPBKSTKOAYSO-KURKYZTESA-N	1	0	371.481	1.960	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(=O)ccoc3c2)C1	ZINC001197851395	972475686	/nfs/dbraw/zinc/47/56/86/972475686.db2.gz	NYTQDCVCJQGIAM-FDQGKXFDSA-N	1	0	356.422	1.923	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(=O)NC)nc2)C1	ZINC001197851840	972476508	/nfs/dbraw/zinc/47/65/08/972476508.db2.gz	RPOBYVFMISQRGP-IAGOWNOFSA-N	1	0	362.474	1.187	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]Cc2nonc2C)[C@H](C)C1	ZINC001094188040	960067722	/nfs/dbraw/zinc/06/77/22/960067722.db2.gz	DVCVIDKHHFQRTC-RDTXWAMCSA-N	1	0	352.438	1.786	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001094195850	960094138	/nfs/dbraw/zinc/09/41/38/960094138.db2.gz	ITXVQPIBPNQKEY-ATZDWAIDSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC(=O)N(CC)C3)CCC[C@@H]12	ZINC001094430939	960439268	/nfs/dbraw/zinc/43/92/68/960439268.db2.gz	ZTSZGRRMTFNDFU-HDMKZQKVSA-N	1	0	353.894	1.968	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cn4c(n3)C[C@@H](OC)CC4)CCC[C@@H]12	ZINC001094444983	960511993	/nfs/dbraw/zinc/51/19/93/960511993.db2.gz	MTIKBKXVUVTVIE-YRISNDGFSA-N	1	0	370.497	1.842	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4nnn(C)c4C3)CCC[C@@H]12	ZINC001094497494	960613137	/nfs/dbraw/zinc/61/31/37/960613137.db2.gz	ATQZASYZPCINNO-QKYXUNIQSA-N	1	0	355.486	1.304	20	30		FDEDRO
C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)Cc2ccc(F)c(C#N)c2)C1	ZINC001181183213	960640397	/nfs/dbraw/zinc/64/03/97/960640397.db2.gz	YKVJKGZCGOHGHJ-OAHLLOKOSA-N	1	0	355.417	1.657	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2cncn2C)CC3)c1	ZINC001094508726	960686167	/nfs/dbraw/zinc/68/61/67/960686167.db2.gz	KSYGIVZDGGAIJV-TZIWHRDSSA-N	1	0	363.465	1.971	20	30		FDEDRO
[NH3+]Cc1nccnc1Nc1ccccc1COC(=O)ON1C(=O)CCC1=O	ZINC001171447815	960793623	/nfs/dbraw/zinc/79/36/23/960793623.db2.gz	OSKDCMCYQVNDCC-UHFFFAOYSA-N	1	0	371.353	1.396	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2ccn(C)n2)CC3)nc1	ZINC001094560593	960808267	/nfs/dbraw/zinc/80/82/67/960808267.db2.gz	STFDBXUUHQHBPL-TZIWHRDSSA-N	1	0	363.465	1.971	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3nc4nc(C)cc(C)n4n3)CCC[C@@H]12	ZINC001094571609	960841706	/nfs/dbraw/zinc/84/17/06/960841706.db2.gz	NRFWMZKQLAIWGR-DNVCBOLYSA-N	1	0	352.442	1.349	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3nc4nccc(C)n4n3)CCC[C@@H]12	ZINC001094571683	960841910	/nfs/dbraw/zinc/84/19/10/960841910.db2.gz	TUHRXLZYECSSHY-DNVCBOLYSA-N	1	0	352.442	1.430	20	30		FDEDRO
COCC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2OCC[C@H]2C(C)C)C[C@H]1C	ZINC001181499726	960879203	/nfs/dbraw/zinc/87/92/03/960879203.db2.gz	ZZKIOHHXBOAQED-DOADOZAASA-N	1	0	350.503	1.772	20	30		FDEDRO
C=C(C)CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CCO[C@H]3C3CC3)CC2=O)C1	ZINC001094765793	961122520	/nfs/dbraw/zinc/12/25/20/961122520.db2.gz	ZITQOYQETHWUSD-SUMDDJOVSA-N	1	0	361.486	1.169	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@]1(C)c1ccccc1	ZINC001171850567	961325076	/nfs/dbraw/zinc/32/50/76/961325076.db2.gz	SSULTPYNZJGTFY-ZWCUEREDSA-N	1	0	369.509	1.978	20	30		FDEDRO
CNC(=O)CO[C@@H]1COC2(C1)CC[NH+]([C@H](C)Cc1ccc(C#N)cc1)CC2	ZINC001172304534	961615679	/nfs/dbraw/zinc/61/56/79/961615679.db2.gz	NXTQXFUGORUTOQ-APWZRJJASA-N	1	0	371.481	1.875	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CCN(C(=O)N2CCOCC2)CC1	ZINC001172294725	961633282	/nfs/dbraw/zinc/63/32/82/961633282.db2.gz	LDGJSCICTRJSRF-INIZCTEOSA-N	1	0	356.470	1.995	20	30		FDEDRO
C[C@@H](CCCC#N)[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)c3cnccn3)[C@H]2C1	ZINC001172499807	961688191	/nfs/dbraw/zinc/68/81/91/961688191.db2.gz	UEHHHTQZLCEIRM-NBOOPKSLSA-N	1	0	357.458	1.626	20	30		FDEDRO
C=CCN1CCN(C)C2(CC[NH+]([C@@H]3CCC[C@@H](C(=O)OC)C3)CC2)C1=O	ZINC001172620389	961697212	/nfs/dbraw/zinc/69/72/12/961697212.db2.gz	YMBBQTPXHGMNLR-IAGOWNOFSA-N	1	0	363.502	1.513	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCC(=O)N2CCOCC2)C[C@H]1C#N	ZINC001172966337	961851948	/nfs/dbraw/zinc/85/19/48/961851948.db2.gz	AUFFQYGSYWLRLZ-GJZGRUSLSA-N	1	0	366.462	1.117	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCNC(=O)c2ccncc2)C[C@H]1C#N	ZINC001172971310	961855431	/nfs/dbraw/zinc/85/54/31/961855431.db2.gz	ONTPTOMSMPBQPV-HOTGVXAUSA-N	1	0	373.457	1.693	20	30		FDEDRO
CC(=O)NC1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1	ZINC001172979314	961863202	/nfs/dbraw/zinc/86/32/02/961863202.db2.gz	CYFXKHVLZORNCQ-CVEARBPZSA-N	1	0	350.463	1.879	20	30		FDEDRO
C[N@H+](C1CN([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1)[C@@H]1CCOC1	ZINC001172989684	961871691	/nfs/dbraw/zinc/87/16/91/961871691.db2.gz	JMXPPMHZOWYUKB-XHSDSOJGSA-N	1	0	364.490	1.683	20	30		FDEDRO
CCOC(=O)c1cc(C#N)c(C)nc1N1CCN([C@H]2CC[N@H+](CC)C2)CC1	ZINC001173365701	962061767	/nfs/dbraw/zinc/06/17/67/962061767.db2.gz	NONBTDSMXJMBDP-KRWDZBQOSA-N	1	0	371.485	1.655	20	30		FDEDRO
N#CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2=COCCO2)C3)cc1	ZINC001095128300	962067206	/nfs/dbraw/zinc/06/72/06/962067206.db2.gz	REFDJNZLXSEIGE-NJAFHUGGSA-N	1	0	369.421	1.699	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+]CC(=O)NC3CCCC3)CC2)cc1	ZINC001173424608	962127266	/nfs/dbraw/zinc/12/72/66/962127266.db2.gz	ZWUDXEUUWJVABY-UHFFFAOYSA-N	1	0	354.454	1.811	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([N@@H+]3CC[C@]4(CCNC4=O)C3)CC2)cc1	ZINC001173430757	962147559	/nfs/dbraw/zinc/14/75/59/962147559.db2.gz	YNSAXDVBSLVLBO-HXUWFJFHSA-N	1	0	352.438	1.375	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncnc1C)C2	ZINC001110319450	962356589	/nfs/dbraw/zinc/35/65/89/962356589.db2.gz	BXBUNOMUYDFBIA-NXHRZFHOSA-N	1	0	369.469	1.321	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2cc(OC)no2)C1	ZINC001182669099	962380080	/nfs/dbraw/zinc/38/00/80/962380080.db2.gz	FUICOQIJGIPVBW-JNNRSPCRSA-N	1	0	363.458	1.849	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2cc(C)no2)C1	ZINC001182669848	962380488	/nfs/dbraw/zinc/38/04/88/962380488.db2.gz	CILVNOWYHBHJAQ-KFWWJZLASA-N	1	0	362.430	1.093	20	30		FDEDRO
CC1(C#N)CCC([NH2+]Cc2ccnc(N3CCS(=O)(=O)CC3)c2)CC1	ZINC001173591007	962469931	/nfs/dbraw/zinc/46/99/31/962469931.db2.gz	GVEKFQMIPGPWGR-UHFFFAOYSA-N	1	0	362.499	1.878	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCO1	ZINC000774546731	962539961	/nfs/dbraw/zinc/53/99/61/962539961.db2.gz	XMTLFJCZHPCQNC-RBUKOAKNSA-N	1	0	369.465	1.064	20	30		FDEDRO
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([NH2+]CCCS)CC1	ZINC001173693132	962583762	/nfs/dbraw/zinc/58/37/62/962583762.db2.gz	APKHPKPOZBEPEC-UHFFFAOYSA-N	1	0	359.473	1.657	20	30		FDEDRO
C=CCOC(=O)N1CC2(C1)CC[NH+]([C@@H]1CCC[C@@H](n3ncnn3)C1)CC2	ZINC001173756137	962633703	/nfs/dbraw/zinc/63/37/03/962633703.db2.gz	OEAHAJXXFBGZQE-HZPDHXFCSA-N	1	0	360.462	1.877	20	30		FDEDRO
C=CCOC(=O)N1CCC2(C[NH+]([C@@H]3CCC[C@@H](n4ncnn4)C3)C2)CC1	ZINC001173757516	962639360	/nfs/dbraw/zinc/63/93/60/962639360.db2.gz	YAMPXPCFURLNHC-HZPDHXFCSA-N	1	0	360.462	1.877	20	30		FDEDRO
N#Cc1ccc(N2CCC[N@@H+]([C@H]3CCC[C@@H](n4ncnn4)C3)CC2)nc1	ZINC001173762407	962650792	/nfs/dbraw/zinc/65/07/92/962650792.db2.gz	BORWKBWEZHUPAA-DLBZAZTESA-N	1	0	352.446	1.636	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1C[C@H]2OCC(=O)N(c3cccc(F)c3)[C@@H]2C1	ZINC001183042766	962754828	/nfs/dbraw/zinc/75/48/28/962754828.db2.gz	CZJLHIQULRCAJF-QZTJIDSGSA-N	1	0	373.428	1.420	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)NCC1(c2cc(OC)ccn2)CCOCC1	ZINC001183092470	962806226	/nfs/dbraw/zinc/80/62/26/962806226.db2.gz	ZJPAXEQUTBSIBL-UHFFFAOYSA-N	1	0	359.470	1.907	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](O)COC)cc1	ZINC001110172664	962929272	/nfs/dbraw/zinc/92/92/72/962929272.db2.gz	GOOYOBKPJWKCEJ-JYBIWHBTSA-N	1	0	374.481	1.523	20	30		FDEDRO
N#CC1(NC(=O)[C@@H](CO)C(F)(F)F)CC[NH+](Cc2ccccc2)CC1	ZINC001183287055	962978897	/nfs/dbraw/zinc/97/88/97/962978897.db2.gz	IWEDHXOIWBDFIP-CQSZACIVSA-N	1	0	355.360	1.832	20	30		FDEDRO
C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1	ZINC001175237351	963105052	/nfs/dbraw/zinc/10/50/52/963105052.db2.gz	PQMYVGLFSNIBPF-OKZBNKHCSA-N	1	0	363.502	1.444	20	30		FDEDRO
N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)C1	ZINC001183580940	963150185	/nfs/dbraw/zinc/15/01/85/963150185.db2.gz	AETYUSTZRBQVRD-KZNAEPCWSA-N	1	0	354.454	1.401	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=O)N(C)C(C)C	ZINC001175364936	963169820	/nfs/dbraw/zinc/16/98/20/963169820.db2.gz	DYXORKKPIZRFGF-ZACQAIPSSA-N	1	0	353.507	1.709	20	30		FDEDRO
Cn1cc(C[N@@H+]2CC[C@H](CNS(C)(=O)=O)C2)c(-c2ccc(C#N)cc2)n1	ZINC001183686173	963221871	/nfs/dbraw/zinc/22/18/71/963221871.db2.gz	PBBYULZXLOEMEF-OAHLLOKOSA-N	1	0	373.482	1.330	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1ccc(Nc2cc(=O)[nH]c3c(C#N)cnn32)cc1	ZINC001175809007	963300040	/nfs/dbraw/zinc/30/00/40/963300040.db2.gz	WZQIVAOZSCWXHQ-UHFFFAOYSA-N	1	0	365.397	1.342	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](CCNC(=O)CN(CCC#N)C(=O)OC(C)(C)C)C1	ZINC001184861705	963742091	/nfs/dbraw/zinc/74/20/91/963742091.db2.gz	NYSIJGGSACGCBK-HNNXBMFYSA-N	1	0	352.479	1.985	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3[nH]c(=O)n(C)c3c1)C2	ZINC001110211583	963902132	/nfs/dbraw/zinc/90/21/32/963902132.db2.gz	LMXZWNKVMGLZJO-PVAVHDDUSA-N	1	0	370.453	1.817	20	30		FDEDRO
O=C(C#Cc1ccccn1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001177800620	963974094	/nfs/dbraw/zinc/97/40/94/963974094.db2.gz	CQQITXFTBBMGNR-UXHICEINSA-N	1	0	362.433	1.330	20	30		FDEDRO
C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2CCNC2=O)CCCC1	ZINC001110214373	964027498	/nfs/dbraw/zinc/02/74/98/964027498.db2.gz	GKCHDGNFYKYPHI-IKGGRYGDSA-N	1	0	360.502	1.870	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N(CC)c2ccccc2)C1	ZINC001185759367	964089642	/nfs/dbraw/zinc/08/96/42/964089642.db2.gz	UJJXXUQFSSKEOJ-QRQLOZEOSA-N	1	0	371.481	1.821	20	30		FDEDRO
N#Cc1ccc(I)c(C(=O)N2CC[N@@H+]3CC[C@@H]3C2)c1	ZINC001185795778	964108392	/nfs/dbraw/zinc/10/83/92/964108392.db2.gz	VATSZYLMQONZEX-LLVKDONJSA-N	1	0	367.190	1.693	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1ccncc1	ZINC001178518659	964268357	/nfs/dbraw/zinc/26/83/57/964268357.db2.gz	UVMURGDCUKYMTL-ZWKOTPCHSA-N	1	0	356.470	1.201	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CC(=O)N(C)C)C1	ZINC001186196769	964344792	/nfs/dbraw/zinc/34/47/92/964344792.db2.gz	SAHXEVHCMUGIMT-SJLPKXTDSA-N	1	0	359.445	1.459	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1	ZINC001178752661	964430450	/nfs/dbraw/zinc/43/04/50/964430450.db2.gz	XMBQGSKNHVTQCC-BZUAXINKSA-N	1	0	361.490	1.470	20	30		FDEDRO
CC#CC[NH2+]C[C@H]1CN(C(=O)[C@]23CCC[C@H]2OCC3)CC12CCOCC2	ZINC001186425831	964503961	/nfs/dbraw/zinc/50/39/61/964503961.db2.gz	YIHXWGVWXZBGFS-UEXGIBASSA-N	1	0	360.498	1.814	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)[C@H]1C	ZINC001178932205	964545267	/nfs/dbraw/zinc/54/52/67/964545267.db2.gz	GBNGYCBDMMDHLZ-HZMVEIRTSA-N	1	0	371.485	1.293	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cc1	ZINC000957567257	1013502966	/nfs/dbraw/zinc/50/29/66/1013502966.db2.gz	SHTWNELHEDSWHG-CRAIPNDOSA-N	1	0	351.450	1.340	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@]1(C)c1ccccc1	ZINC001179080636	964704990	/nfs/dbraw/zinc/70/49/90/964704990.db2.gz	FXPUXVWCLVBQKX-SIKLNZKXSA-N	1	0	369.509	1.980	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)C1	ZINC000962321888	1013531079	/nfs/dbraw/zinc/53/10/79/1013531079.db2.gz	PYHKRWDDNPQWLH-CVSAEHQPSA-N	1	0	361.490	1.678	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2nnc(C)n2CCC)C1	ZINC000962322651	1013531566	/nfs/dbraw/zinc/53/15/66/1013531566.db2.gz	YMLNZAMPLNDISZ-BACDZXNISA-N	1	0	361.490	1.572	20	30		FDEDRO
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCOC)C1CC[NH+](C)CC1	ZINC001179582907	964930959	/nfs/dbraw/zinc/93/09/59/964930959.db2.gz	AUQHMFBMKPIMDD-INIZCTEOSA-N	1	0	367.490	1.472	20	30		FDEDRO
COCC#CC(=O)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1	ZINC001187125519	965029664	/nfs/dbraw/zinc/02/96/64/965029664.db2.gz	MUNMNDZMCVYJLJ-SFHVURJKSA-N	1	0	363.408	1.791	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)[C@H]1C	ZINC001180250095	965178904	/nfs/dbraw/zinc/17/89/04/965178904.db2.gz	PKRQSYAAGDDTFD-RUGDWHBFSA-N	1	0	357.429	1.258	20	30		FDEDRO
COCCOCC(=O)N1CC[C@H]2CN(Cc3ccc(F)c(C#N)c3)C[C@H]21	ZINC001187343520	965268282	/nfs/dbraw/zinc/26/82/82/965268282.db2.gz	JETQSVZFTKGMJI-MAUKXSAKSA-N	1	0	361.417	1.393	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21	ZINC001187473202	965385995	/nfs/dbraw/zinc/38/59/95/965385995.db2.gz	VPDSEVAAUOKKQU-GVDBMIGSSA-N	1	0	359.474	1.281	20	30		FDEDRO
CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](CC#N)NC(=O)OC(C)(C)C)C[C@H]2C1	ZINC001180781065	965591141	/nfs/dbraw/zinc/59/11/41/965591141.db2.gz	IDVGELMWXOYSTC-ZNMIVQPWSA-N	1	0	350.463	1.594	20	30		FDEDRO
CCC[NH+]1C[C@H]2CN(C(=O)[C@H](CC#N)NC(=O)OC(C)(C)C)C[C@@H]2C1	ZINC001180781064	965591676	/nfs/dbraw/zinc/59/16/76/965591676.db2.gz	IDVGELMWXOYSTC-KKUMJFAQSA-N	1	0	350.463	1.594	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CC[C@H]2CN(CC(=O)NCCC(C)(C)C)C[C@H]21	ZINC001187763743	965729817	/nfs/dbraw/zinc/72/98/17/965729817.db2.gz	UFRMXWLCYBCNEN-YRNRMSPPSA-N	1	0	365.518	1.399	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](CCc3ccc4c(c3)CCO4)C[C@H]21	ZINC001187865255	965809361	/nfs/dbraw/zinc/80/93/61/965809361.db2.gz	NMCMXQOQPFURRP-FFZOFVMBSA-N	1	0	368.477	1.735	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C#CC(C)C)[C@@H]2C1	ZINC001187827391	965817973	/nfs/dbraw/zinc/81/79/73/965817973.db2.gz	GYNWRQDTBYDRBS-CEXWTWQISA-N	1	0	359.514	1.992	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4c(C)cnc4c3)[C@@H]2C1	ZINC001187925479	965908664	/nfs/dbraw/zinc/90/86/64/965908664.db2.gz	OMYSZHSQNVFOLG-ZWKOTPCHSA-N	1	0	354.454	1.992	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]nc4c3CCCC4)[C@@H]2C1	ZINC001187925012	965908795	/nfs/dbraw/zinc/90/87/95/965908795.db2.gz	HJBBDYZBPOGVFW-HNAYVOBHSA-N	1	0	356.470	1.014	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCOCCOC)C[C@H]21	ZINC001187952268	965927133	/nfs/dbraw/zinc/92/71/33/965927133.db2.gz	YPKIWKYWYMZTBI-MLHJIOFPSA-N	1	0	352.475	1.163	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)c3cc(CC)ccn3)[C@@H]2C1	ZINC001188004441	965957672	/nfs/dbraw/zinc/95/76/72/965957672.db2.gz	JOBNNOGSFKHJAJ-QILLFSRXSA-N	1	0	356.470	1.481	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3c(Cl)cnn3CC)[C@@H]2C1	ZINC001188012680	965973153	/nfs/dbraw/zinc/97/31/53/965973153.db2.gz	OQAGCXCKBHEMIO-DZGCQCFKSA-N	1	0	352.866	1.905	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)NC(=O)CC(F)(F)F)[C@@H]2C1	ZINC001188018885	965976765	/nfs/dbraw/zinc/97/67/65/965976765.db2.gz	WVMXWNYNKBSKIR-HZSPNIEDSA-N	1	0	361.408	1.942	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CC[C@H]2CN(C[C@@H]3CCS(=O)(=O)C3)C[C@H]21	ZINC001188063288	965986339	/nfs/dbraw/zinc/98/63/39/965986339.db2.gz	HGTFZFGUNPWUGX-HRCADAONSA-N	1	0	354.516	1.556	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N(C)C(C)C)C[C@H]21)OCC	ZINC001188095150	966004327	/nfs/dbraw/zinc/00/43/27/966004327.db2.gz	GRYNXIDFZGWKQX-RCCFBDPRSA-N	1	0	365.518	1.757	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCNS(C)(=O)=O)[C@@H]2C1	ZINC001188102899	966013353	/nfs/dbraw/zinc/01/33/53/966013353.db2.gz	TWMVIDZAPFPUGJ-JKSUJKDBSA-N	1	0	359.536	1.429	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CN(C)C(=O)COC)[C@@H]2C1	ZINC001188125636	966044228	/nfs/dbraw/zinc/04/42/28/966044228.db2.gz	SVYGZJAHADTMGH-DLBZAZTESA-N	1	0	351.491	1.370	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3nn4c(c3C)OCCC4)[C@@H]2C1	ZINC001188138060	966053374	/nfs/dbraw/zinc/05/33/74/966053374.db2.gz	NNRIISHSCVFOOQ-JKSUJKDBSA-N	1	0	360.458	1.323	20	30		FDEDRO
N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)C/C=C/c3cccc(F)c3)[C@@H]2C1	ZINC001188229806	966139060	/nfs/dbraw/zinc/13/90/60/966139060.db2.gz	BGMNCXVQMIKYJA-FXNRXUADSA-N	1	0	370.428	1.401	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)c3cn4c(n3)C[C@@H](OC)CC4)[C@@H]2C1	ZINC001188329132	966207008	/nfs/dbraw/zinc/20/70/08/966207008.db2.gz	HCJRNBPSDCSVCH-XYJFISCASA-N	1	0	358.486	1.957	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)c3coc(S(N)(=O)=O)c3)[C@@H]2C1	ZINC001188368940	966240185	/nfs/dbraw/zinc/24/01/85/966240185.db2.gz	DSRUANKUGPDACJ-GXTWGEPZSA-N	1	0	353.444	1.040	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)[C@@H]2C1	ZINC001188387144	966254439	/nfs/dbraw/zinc/25/44/39/966254439.db2.gz	ANYCAMYFJQXSHF-ZWKOTPCHSA-N	1	0	364.534	1.264	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnc4ccccn4c3=O)[C@@H]2C1	ZINC001188356363	966271463	/nfs/dbraw/zinc/27/14/63/966271463.db2.gz	FRGIJFRVZLWDII-DOTOQJQBSA-N	1	0	368.437	1.043	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CCOCCO)C[C@H]32)cc1	ZINC001188356901	966274326	/nfs/dbraw/zinc/27/43/26/966274326.db2.gz	VAWGDOKCAKXENG-PKOBYXMFSA-N	1	0	360.454	1.407	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)o3)[C@@H]2C1	ZINC001188441318	966290624	/nfs/dbraw/zinc/29/06/24/966290624.db2.gz	DNONRIDNMLJVHX-HZSPNIEDSA-N	1	0	367.471	1.428	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3ccc(N(C)C)cc3)[C@@H]2C1	ZINC001188476998	966348600	/nfs/dbraw/zinc/34/86/00/966348600.db2.gz	XWGHFTIPFCHJPH-PZJWPPBQSA-N	1	0	369.509	1.868	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3cccc(OC)c3)[C@@H]2C1	ZINC001188527990	966361461	/nfs/dbraw/zinc/36/14/61/966361461.db2.gz	DDKOSNLMHVEYSU-AZUAARDMSA-N	1	0	356.466	1.810	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4ccncc4n3)[C@@H]2C1	ZINC001188568760	966400536	/nfs/dbraw/zinc/40/05/36/966400536.db2.gz	RQWRPQLWUCEHHB-QFBILLFUSA-N	1	0	352.438	1.979	20	30		FDEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)c1cccc(CC#N)c1)CC2	ZINC001188667767	966514539	/nfs/dbraw/zinc/51/45/39/966514539.db2.gz	OBRGTBWTDIEGQJ-UHFFFAOYSA-N	1	0	354.454	1.569	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1C[C@@H]2CCN(C(=O)c3c[nH]nc3C)[C@@H]2C1	ZINC001188732164	966542962	/nfs/dbraw/zinc/54/29/62/966542962.db2.gz	WQBBABVDFJSNNY-DOTOQJQBSA-N	1	0	357.458	1.065	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H](C)CC(=C)C)[C@@H]2C1	ZINC001188885565	966606708	/nfs/dbraw/zinc/60/67/08/966606708.db2.gz	QNWLAJICCWJJPZ-HRCADAONSA-N	1	0	362.474	1.133	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](CCCNS(=O)(=O)CC)C[C@H]21	ZINC001188884423	966615087	/nfs/dbraw/zinc/61/50/87/966615087.db2.gz	ISRUUKFDKDZWDV-YESZJQIVSA-N	1	0	371.547	1.451	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@H+](CCCN3C(=O)CNC3=O)C[C@H]21	ZINC001188885941	966638254	/nfs/dbraw/zinc/63/82/54/966638254.db2.gz	SNELAEJEUYEHAE-HRCADAONSA-N	1	0	362.474	1.063	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4cc(C)nc4c3)[C@@H]2C1	ZINC001189126376	966779931	/nfs/dbraw/zinc/77/99/31/966779931.db2.gz	GLIXBXYLCVRRLZ-ZWKOTPCHSA-N	1	0	354.454	1.992	20	30		FDEDRO
COCCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001189302676	966881588	/nfs/dbraw/zinc/88/15/88/966881588.db2.gz	HDHZITTYGFUXSR-AYOQOUSVSA-N	1	0	357.454	1.642	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4cccc(OC)c43)[C@@H]2C1	ZINC001189350237	966937175	/nfs/dbraw/zinc/93/71/75/966937175.db2.gz	KKNLLYPSXZBISV-GBESFXJTSA-N	1	0	368.477	1.908	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CCN(C(=O)C[NH+]2CCC(C)CC2)C1	ZINC000957640170	1013689288	/nfs/dbraw/zinc/68/92/88/1013689288.db2.gz	AMTFDHMEACZFCE-UWVAXJGDSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1C[C@@H]2CCN(C(=O)C[NH+](CC)CC)[C@@H]2C1	ZINC001189470297	966981969	/nfs/dbraw/zinc/98/19/69/966981969.db2.gz	FOSFIAWTEANCPT-ZWKOTPCHSA-N	1	0	364.534	1.286	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(N2CCOCC2)cc1	ZINC000775256248	966984383	/nfs/dbraw/zinc/98/43/83/966984383.db2.gz	XKTNZSKHTTXYEN-YWZLYKJASA-N	1	0	356.470	1.982	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ncc4ccccc43)[C@@H]2C1	ZINC001189438951	966990153	/nfs/dbraw/zinc/99/01/53/966990153.db2.gz	JFEWKLDVDBEKHC-PKOBYXMFSA-N	1	0	352.438	1.219	20	30		FDEDRO
C=CCNC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1	ZINC000852473101	967356606	/nfs/dbraw/zinc/35/66/06/967356606.db2.gz	JCNHMRMTPLYSNL-ZIAGYGMSSA-N	1	0	361.408	1.944	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)c3nc4nc(C)cc(C)n4n3)[C@@H]2C1	ZINC001190019635	967468544	/nfs/dbraw/zinc/46/85/44/967468544.db2.gz	GFOYHZKNMWOHOT-JKSUJKDBSA-N	1	0	354.458	1.854	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1)C1CCOCC1	ZINC000852644476	967496059	/nfs/dbraw/zinc/49/60/59/967496059.db2.gz	PKFSFKUMAUPFPS-QZTJIDSGSA-N	1	0	351.491	1.557	20	30		FDEDRO
C#CCC[N@@H+](CCOC)CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852748508	967576023	/nfs/dbraw/zinc/57/60/23/967576023.db2.gz	BSAHIFZWOHEQLQ-UHFFFAOYSA-N	1	0	367.490	1.428	20	30		FDEDRO
Cc1ccc(C(=O)N2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)cc1F	ZINC000852809999	967622955	/nfs/dbraw/zinc/62/29/55/967622955.db2.gz	PKBDTSOFFNLRKT-UHFFFAOYSA-N	1	0	357.429	1.422	20	30		FDEDRO
C=CC[C@]1(C(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)CCC[NH2+]1	ZINC000852809350	967623311	/nfs/dbraw/zinc/62/33/11/967623311.db2.gz	DGONOMJMFDFEGI-CABCVRRESA-N	1	0	360.380	1.375	20	30		FDEDRO
COc1ccc(CCC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c(Br)c1	ZINC000852827310	967638417	/nfs/dbraw/zinc/63/84/17/967638417.db2.gz	GFGWNDDEMKQEST-SMDDNHRTSA-N	1	0	352.232	1.618	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCNC(=O)NC(C)C)C1	ZINC001190229358	967643159	/nfs/dbraw/zinc/64/31/59/967643159.db2.gz	COGJQRKZFADYOU-BBWFWOEESA-N	1	0	366.506	1.208	20	30		FDEDRO
Cc1ccc(NC(=O)C#CC2CC[NH2+]CC2)cc1N1CCCS1(=O)=O	ZINC000852844910	967652561	/nfs/dbraw/zinc/65/25/61/967652561.db2.gz	NKXRVHAZSLPACG-UHFFFAOYSA-N	1	0	361.467	1.476	20	30		FDEDRO
COc1cc(OC)cc(OCCCN(C)C(=O)C#CC2CC[NH2+]CC2)c1	ZINC000852853264	967658160	/nfs/dbraw/zinc/65/81/60/967658160.db2.gz	XHFJUGLPKGQYOP-UHFFFAOYSA-N	1	0	360.454	1.934	20	30		FDEDRO
CSCC[C@H](NC(=O)C#CC1CC[NH2+]CC1)c1nnc2ccccn21	ZINC000852856600	967660693	/nfs/dbraw/zinc/66/06/93/967660693.db2.gz	BUNHVDNBLDKESW-HNNXBMFYSA-N	1	0	357.483	1.643	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1	ZINC000852860159	967666130	/nfs/dbraw/zinc/66/61/30/967666130.db2.gz	LPPOWKKARILSMQ-OAHLLOKOSA-N	1	0	374.872	1.915	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCN(c2ncnc3ccsc32)CC1	ZINC000852868044	967673751	/nfs/dbraw/zinc/67/37/51/967673751.db2.gz	LXVAESLXMHUZJK-UHFFFAOYSA-N	1	0	355.467	1.343	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NCc1nc2cc(Br)cnc2[nH]1	ZINC000852869289	967675523	/nfs/dbraw/zinc/67/55/23/967675523.db2.gz	BKRZQHMTXFBDMF-UHFFFAOYSA-N	1	0	362.231	1.340	20	30		FDEDRO
COc1cc(CN2CC[C@@H](NC(=O)C#CC3CC[NH2+]CC3)C2)cc(OC)c1	ZINC000852871902	967677752	/nfs/dbraw/zinc/67/77/52/967677752.db2.gz	DTMNVWYHEHVYGY-GOSISDBHSA-N	1	0	371.481	1.397	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCC[C@H](c2nnc3n2CCCCC3)C1	ZINC000852882254	967687143	/nfs/dbraw/zinc/68/71/43/967687143.db2.gz	BBNBOGQIUMOGDK-KRWDZBQOSA-N	1	0	355.486	1.714	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCS(=O)(=O)N(C)C)[C@@H]2C1	ZINC001190311723	967724350	/nfs/dbraw/zinc/72/43/50/967724350.db2.gz	IXCXKZFDTCSGSN-HRCADAONSA-N	1	0	357.520	1.155	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]21	ZINC001190430693	967841837	/nfs/dbraw/zinc/84/18/37/967841837.db2.gz	KYPLVAFCQOMKLZ-MELADBBJSA-N	1	0	350.381	1.425	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H]([N@H+](C)CC#Cc3ccccc3)C2)O1	ZINC001190901056	968133649	/nfs/dbraw/zinc/13/36/49/968133649.db2.gz	UAGQTOJSUZVNAW-MISYRCLQSA-N	1	0	355.482	1.290	20	30		FDEDRO
C#CC[N@@H+](C)CCCNc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC	ZINC000853647107	968222111	/nfs/dbraw/zinc/22/21/11/968222111.db2.gz	OPEDZLQIBSTUHE-UHFFFAOYSA-N	1	0	368.459	1.650	20	30		FDEDRO
C#CCCN(CCOC)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1	ZINC000853686151	968249319	/nfs/dbraw/zinc/24/93/19/968249319.db2.gz	VESYDRRKDQJCOG-UHFFFAOYSA-N	1	0	373.497	1.825	20	30		FDEDRO
N#CCSCC(=O)N[C@@H]1C[N@@H+](CCCOCc2ccccc2)C[C@H]1O	ZINC001191161480	968305270	/nfs/dbraw/zinc/30/52/70/968305270.db2.gz	CZNJOMRUIQFCOR-IAGOWNOFSA-N	1	0	363.483	1.011	20	30		FDEDRO
C[C@H](c1ccc2c(c1)CCC2)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1	ZINC001191162320	968306811	/nfs/dbraw/zinc/30/68/11/968306811.db2.gz	QJTWYLGBSVGXDO-FSPWUOQZSA-N	1	0	359.495	1.654	20	30		FDEDRO
COc1ccc(CNC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1C#N	ZINC000853882751	968396769	/nfs/dbraw/zinc/39/67/69/968396769.db2.gz	SAJBDUCFYVGZLD-KRWDZBQOSA-N	1	0	358.442	1.307	20	30		FDEDRO
C=C[C@H](CO)NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1	ZINC000853942446	968453995	/nfs/dbraw/zinc/45/39/95/968453995.db2.gz	GBNIJCOFMSURAN-GOSISDBHSA-N	1	0	358.486	1.565	20	30		FDEDRO
C#C[C@H](NC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)[C@H]1CCCO1	ZINC000854002990	968519471	/nfs/dbraw/zinc/51/94/71/968519471.db2.gz	DYFYFMVYXQLHIK-CEXWTWQISA-N	1	0	357.454	1.233	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH+]1CCC(c2nccc(-c3cnn(C)c3)n2)CC1	ZINC000854103733	968598338	/nfs/dbraw/zinc/59/83/38/968598338.db2.gz	PRSZVUDLTOQYOE-AWEZNQCLSA-N	1	0	354.458	1.747	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCc2ccc(CC)cc2)C[C@H]1O	ZINC001191622663	968630814	/nfs/dbraw/zinc/63/08/14/968630814.db2.gz	VGPXMGXDHAPENQ-PWIZWCRZSA-N	1	0	360.498	1.934	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@H+](CCCOc2ccc(C)c(C)c2)C[C@H]1O	ZINC001191754619	968758775	/nfs/dbraw/zinc/75/87/75/968758775.db2.gz	AMTGPEASDGDTOL-RTBURBONSA-N	1	0	362.470	1.436	20	30		FDEDRO
C[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(C#N)c(F)c1	ZINC000776742949	968908588	/nfs/dbraw/zinc/90/85/88/968908588.db2.gz	MBLWXEZAVDZNSF-BBRMVZONSA-N	1	0	369.462	1.836	20	30		FDEDRO
COc1cc(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)ccc1C#N	ZINC000854637007	969041816	/nfs/dbraw/zinc/04/18/16/969041816.db2.gz	YQRCZIUNBQXLKL-UHFFFAOYSA-N	1	0	358.442	1.289	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2)C[C@H]1O	ZINC001192529913	969174587	/nfs/dbraw/zinc/17/45/87/969174587.db2.gz	IPKVEEWGOMRWKK-OPYAIIAOSA-N	1	0	360.498	1.973	20	30		FDEDRO
C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1	ZINC001192794857	969302186	/nfs/dbraw/zinc/30/21/86/969302186.db2.gz	OUWGSPRROWAKHM-FGTMMUONSA-N	1	0	362.474	1.024	20	30		FDEDRO
CC(C)(C)C#CC(=O)N[C@@H]1C[N@H+](CCCOCc2ccccc2)C[C@H]1O	ZINC001192870587	969325367	/nfs/dbraw/zinc/32/53/67/969325367.db2.gz	AVFKGPPKAMYTIV-RTBURBONSA-N	1	0	358.482	1.804	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2c(C)ccc3ccccc32)C[C@H]1O	ZINC001192892510	969352257	/nfs/dbraw/zinc/35/22/57/969352257.db2.gz	YVCAXDKNVUFQGI-MAODMQOUSA-N	1	0	366.461	1.848	20	30		FDEDRO
C[NH+](C)CCN([C@H]1CCCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)CC#N	ZINC001192972733	969412989	/nfs/dbraw/zinc/41/29/89/969412989.db2.gz	ABSDCAFETZGZOU-AWEZNQCLSA-N	1	0	374.507	1.103	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@H]1O	ZINC001193069376	969448227	/nfs/dbraw/zinc/44/82/27/969448227.db2.gz	ZWTNHBKFHPXYSK-WTGUMLROSA-N	1	0	374.481	1.346	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCC[C@@H]2c2ccccc2)C1	ZINC001193076366	969450748	/nfs/dbraw/zinc/45/07/48/969450748.db2.gz	SSNHTXRHMWQAIS-UAFMIMERSA-N	1	0	374.481	1.171	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1O)OCC	ZINC001193421803	969696608	/nfs/dbraw/zinc/69/66/08/969696608.db2.gz	IZRGHZQPPQCRFQ-QRVBRYPASA-N	1	0	362.470	1.212	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C(CC)CC)C2)C1	ZINC001193455470	969718276	/nfs/dbraw/zinc/71/82/76/969718276.db2.gz	CTCRZWPIHLQLCU-DJIMGWMZSA-N	1	0	351.491	1.151	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCCCCC2=O)C1	ZINC001193520016	969733279	/nfs/dbraw/zinc/73/32/79/969733279.db2.gz	FZJHIVBUDDKIGE-QZTJIDSGSA-N	1	0	367.534	1.911	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cncn3)cc2)C1	ZINC001193919444	969925649	/nfs/dbraw/zinc/92/56/49/969925649.db2.gz	XNZPXMQBJHADRE-ZTFGCOKTSA-N	1	0	355.442	1.397	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCc2cc(C)no2)C1	ZINC001194045672	969972101	/nfs/dbraw/zinc/97/21/01/969972101.db2.gz	CWCHUUAZGDPXDJ-IAGOWNOFSA-N	1	0	351.447	1.407	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCc2cc[nH]c(=O)c2)C1	ZINC001194076459	969990106	/nfs/dbraw/zinc/99/01/06/969990106.db2.gz	QQRHNJSEKBEOQV-IAGOWNOFSA-N	1	0	365.474	1.436	20	30		FDEDRO
CC(=[NH+]NC1CCS(=O)(=O)CC1)c1ccc(N2CCOCC2)cc1	ZINC000776790814	970147019	/nfs/dbraw/zinc/14/70/19/970147019.db2.gz	CZBBSCHTPSLNEQ-UHFFFAOYSA-N	1	0	351.472	1.414	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1ccccc1C	ZINC001110461660	970425173	/nfs/dbraw/zinc/42/51/73/970425173.db2.gz	CPBKOWGACROKOX-RWQQGDIJSA-N	1	0	353.466	1.917	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(CC)cc1	ZINC001110465848	970667783	/nfs/dbraw/zinc/66/77/83/970667783.db2.gz	WMKWFBNUTBATDD-QRVBRYPASA-N	1	0	353.466	1.610	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)C1	ZINC001195181729	970727110	/nfs/dbraw/zinc/72/71/10/970727110.db2.gz	LZSKNRDHNTYXCA-IAGOWNOFSA-N	1	0	363.845	1.799	20	30		FDEDRO
C#C[C@H]([NH2+][C@H](C)C(=O)N(C)Cc1ccc(OC)c(OC)c1)[C@H]1CCCO1	ZINC000775796873	972557194	/nfs/dbraw/zinc/55/71/94/972557194.db2.gz	AQHPWQRTWYDZCG-HYVNUMGLSA-N	1	0	360.454	1.821	20	30		FDEDRO
O=S1(=O)CCC[C@@H](N[NH+]=Cc2ccc(N3CCC(O)CC3)cc2)C1	ZINC000863135290	972678608	/nfs/dbraw/zinc/67/86/08/972678608.db2.gz	YTMFUKRRYYUJTR-OAHLLOKOSA-N	1	0	351.472	1.148	20	30		FDEDRO
CC(=NNc1cc[nH+]cc1C)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000863156971	972686273	/nfs/dbraw/zinc/68/62/73/972686273.db2.gz	FHDFXIAUPGLRQH-UHFFFAOYSA-N	1	0	374.466	1.669	20	30		FDEDRO
CCOC(=O)[C@@H](C#N)NC(=O)c1ccc(CN(C)CCC[NH+](C)C)cc1	ZINC001198035722	972714172	/nfs/dbraw/zinc/71/41/72/972714172.db2.gz	BFMULQNJANIUTK-QGZVFWFLSA-N	1	0	360.458	1.255	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3c2C[C@@H](C)CC3)C1	ZINC001198226778	972919241	/nfs/dbraw/zinc/91/92/41/972919241.db2.gz	RAZCWJFUVUGCNY-KVSKMBFKSA-N	1	0	360.502	1.987	20	30		FDEDRO
CC(=O)[C@@H]1CC(C(=O)N(CCC#N)CCC[NH+](C)C)=NN1c1ccccc1	ZINC000104327300	972933022	/nfs/dbraw/zinc/93/30/22/972933022.db2.gz	RIFGFBINOWIIMV-IBGZPJMESA-N	1	0	369.469	1.904	20	30		FDEDRO
CCC1([NH+]2CCOCC2)CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC1	ZINC000863492491	972952933	/nfs/dbraw/zinc/95/29/33/972952933.db2.gz	ZJJPADOYVPLWEQ-GOSISDBHSA-N	1	0	357.454	1.695	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COc2ccccc2OCC)C1	ZINC001198328569	972991212	/nfs/dbraw/zinc/99/12/12/972991212.db2.gz	OIHSPVAOMRUVRU-BRWVUGGUSA-N	1	0	362.470	1.980	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]CCCNC(=O)/C=C/c2ccccc2)CCOCC1	ZINC000863555360	973012729	/nfs/dbraw/zinc/01/27/29/973012729.db2.gz	QRXJGXDDNQUVGK-IHHMQQGQSA-N	1	0	371.481	1.867	20	30		FDEDRO
CSC1(CNS(=O)(=O)c2cc(F)cc(C#N)c2)CC[NH+](C)CC1	ZINC000867279583	973259232	/nfs/dbraw/zinc/25/92/32/973259232.db2.gz	FDLKAVKEJWFKCZ-UHFFFAOYSA-N	1	0	357.476	1.803	20	30		FDEDRO
C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1	ZINC000119862028	973375989	/nfs/dbraw/zinc/37/59/89/973375989.db2.gz	VMTFGLXDNXSCFU-KBPBESRZSA-N	1	0	362.405	1.656	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)c(Cl)c2C)C1	ZINC001198708374	973457188	/nfs/dbraw/zinc/45/71/88/973457188.db2.gz	WWICNCMHHQWFBD-NILFDRSVSA-N	1	0	354.882	1.669	20	30		FDEDRO
COc1cc([C@@H](C)[NH2+]CCC(=O)N(C)CCC#N)ccc1S(C)(=O)=O	ZINC001198778236	973513240	/nfs/dbraw/zinc/51/32/40/973513240.db2.gz	DHMLUMWJPKKINH-CYBMUJFWSA-N	1	0	367.471	1.511	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)nn(CC)c2Cl)C1	ZINC001198793269	973536523	/nfs/dbraw/zinc/53/65/23/973536523.db2.gz	SLLGVCQEQKHNCE-MRVWCRGKSA-N	1	0	354.882	1.994	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CC[C@@H](C(=O)NCc3ccccc3)C2)CC1	ZINC000645232828	1014123138	/nfs/dbraw/zinc/12/31/38/1014123138.db2.gz	UKJRAWDWRZEZBN-GOSISDBHSA-N	1	0	370.497	1.985	20	30		FDEDRO
O=C(CC#Cc1ccccc1)N[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1O	ZINC001198933780	973706490	/nfs/dbraw/zinc/70/64/90/973706490.db2.gz	JHHFRWLDLXXJEX-RTBURBONSA-N	1	0	354.475	1.894	20	30		FDEDRO
C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN1CC[NH+](C)CC1	ZINC000864658951	973733666	/nfs/dbraw/zinc/73/36/66/973733666.db2.gz	WCXAIWQYIJRDOA-CQSZACIVSA-N	1	0	374.913	1.386	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)/C=C/CN3CCOCC3)CC2)cc1	ZINC000864660277	973735056	/nfs/dbraw/zinc/73/50/56/973735056.db2.gz	YMKKHRRGQLYDIM-HNQUOIGGSA-N	1	0	368.481	1.481	20	30		FDEDRO
CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC#Cc3ccccc3)C2)cn1	ZINC001198944369	973783243	/nfs/dbraw/zinc/78/32/43/973783243.db2.gz	FHSUHPQSKLIJAH-WOJBJXKFSA-N	1	0	366.465	1.049	20	30		FDEDRO
O=C(CC#Cc1ccccc1)N[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@H]1O	ZINC001198944983	973787204	/nfs/dbraw/zinc/78/72/04/973787204.db2.gz	RZVHUHKLTZSDML-VAMGGRTRSA-N	1	0	356.466	1.549	20	30		FDEDRO
C=C[C@@H](C(=O)N[C@@H]1CN(Cc2cccnc2OC)C[C@H]1O)c1ccccc1	ZINC001198950070	973790497	/nfs/dbraw/zinc/79/04/97/973790497.db2.gz	JHHVRILTRYBDMB-GUDVDZBRSA-N	1	0	367.449	1.721	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)N2CCCCC2=O)C1	ZINC001198991111	973814981	/nfs/dbraw/zinc/81/49/81/973814981.db2.gz	XNGCCONUYQZPEZ-BRWVUGGUSA-N	1	0	351.491	1.295	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)c2ccc(F)cc2)C1	ZINC001198997748	973823206	/nfs/dbraw/zinc/82/32/06/973823206.db2.gz	LJJYRJYOQAGVSA-BMGDILEWSA-N	1	0	350.434	1.683	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC(c4ccccc4)(C2)C3)C1	ZINC001199205755	974014006	/nfs/dbraw/zinc/01/40/06/974014006.db2.gz	CTPWWHGAELYNOK-IGBVOLGGSA-N	1	0	356.466	1.472	20	30		FDEDRO
C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C#N)cc1F	ZINC000865182655	974167622	/nfs/dbraw/zinc/16/76/22/974167622.db2.gz	KOEPOXPQLRBAOF-HNNXBMFYSA-N	1	0	364.421	1.768	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCCOCc2ccccc2)C[C@H]1O	ZINC001199318383	974185528	/nfs/dbraw/zinc/18/55/28/974185528.db2.gz	SFKGUUJBDHCCLO-QXAKKESOSA-N	1	0	362.470	1.346	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)NC(=O)C2CCCC2)C1	ZINC001199489403	974296453	/nfs/dbraw/zinc/29/64/53/974296453.db2.gz	JGLVBEVAEKPNRC-DJIMGWMZSA-N	1	0	351.491	1.199	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)C2CCC2)C1	ZINC001199497329	974303348	/nfs/dbraw/zinc/30/33/48/974303348.db2.gz	AODTWHWFWCZOGP-DJIMGWMZSA-N	1	0	351.491	1.199	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F	ZINC000865460857	974310807	/nfs/dbraw/zinc/31/08/07/974310807.db2.gz	VRXJRFDQZIKBMM-MRXNPFEDSA-N	1	0	367.375	1.897	20	30		FDEDRO
C#CC[C@H](CC(=O)N[C@@H]1CN(Cc2conc2C)C[C@H]1O)c1ccccc1	ZINC001199505178	974324968	/nfs/dbraw/zinc/32/49/68/974324968.db2.gz	BAEREBHNFWWZOF-MISYRCLQSA-N	1	0	367.449	1.842	20	30		FDEDRO
CCOC1CC(C[NH2+]Cc2cc(C#N)ccc2N(C)C)(N2CCOCC2)C1	ZINC000865544755	974352168	/nfs/dbraw/zinc/35/21/68/974352168.db2.gz	DVTKPLOPPDXYTI-UHFFFAOYSA-N	1	0	372.513	1.984	20	30		FDEDRO
COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)Cc2cccc(Cl)c2)C1	ZINC001199531666	974353810	/nfs/dbraw/zinc/35/38/10/974353810.db2.gz	BWMKKXIJHGEGEN-ZTFGCOKTSA-N	1	0	364.873	1.330	20	30		FDEDRO
COC(=O)[C@]1(NC(=O)c2ccc(C#N)[nH]2)CC[N@H+](Cc2ccccc2)C1	ZINC001199682728	974461858	/nfs/dbraw/zinc/46/18/58/974461858.db2.gz	GGWLMNOJXPISBE-IBGZPJMESA-N	1	0	352.394	1.434	20	30		FDEDRO
CCOC(=O)[C@@H](C)NC(=S)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC001199852058	974536664	/nfs/dbraw/zinc/53/66/64/974536664.db2.gz	MOSNFWUSBZVBNI-CQSZACIVSA-N	1	0	374.510	1.938	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C#N)cc1F	ZINC001110546301	974639061	/nfs/dbraw/zinc/63/90/61/974639061.db2.gz	SRCVMJGDQCRRGK-QVSURHGTSA-N	1	0	355.413	1.957	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc2ccccc2n1C	ZINC001110546270	974639214	/nfs/dbraw/zinc/63/92/14/974639214.db2.gz	RZVVDMXSRQVWJZ-LFEHRJTNSA-N	1	0	366.465	1.833	20	30		FDEDRO
COC(=O)[C@@H](Cc1ccc(C#N)cc1)NC(=S)NCC[NH+]1CCCCC1	ZINC001200445082	974771153	/nfs/dbraw/zinc/77/11/53/974771153.db2.gz	RMEOLKLKUVCUCG-QGZVFWFLSA-N	1	0	374.510	1.592	20	30		FDEDRO
COCC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@]2(C)c2ccccc2)CCCO1	ZINC001201024162	974946688	/nfs/dbraw/zinc/94/66/88/974946688.db2.gz	VCQMEYJFDQDILW-JAXLGGSGSA-N	1	0	370.493	1.821	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)CC1	ZINC001201224339	974988232	/nfs/dbraw/zinc/98/82/32/974988232.db2.gz	RXAZROZIBDBRGA-QZTJIDSGSA-N	1	0	368.481	1.791	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCOCCC(C)C)C1	ZINC001201439800	975061412	/nfs/dbraw/zinc/06/14/12/975061412.db2.gz	XWZRJLIXQBQQGL-QRVBRYPASA-N	1	0	368.518	1.847	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2CC(C)C)CCCO1	ZINC001201439252	975061461	/nfs/dbraw/zinc/06/14/61/975061461.db2.gz	SYZJPSCBBFQNRI-IXDOHACOSA-N	1	0	351.491	1.178	20	30		FDEDRO
C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)CCCO1	ZINC001201613029	975098564	/nfs/dbraw/zinc/09/85/64/975098564.db2.gz	VXSAJMVFGNLELN-FGTMMUONSA-N	1	0	362.474	1.071	20	30		FDEDRO
CCC[N@H+](CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(C)(C)CC(=O)N1CCCC1	ZINC001201647739	975110019	/nfs/dbraw/zinc/11/00/19/975110019.db2.gz	NZJQWOOENKKNEJ-HOTGVXAUSA-N	1	0	366.481	1.952	20	30		FDEDRO
C=CCc1cccc(F)c1OS(=O)(=O)CCCN1CC[NH+](C)CC1	ZINC000867425171	975227808	/nfs/dbraw/zinc/22/78/08/975227808.db2.gz	CQJQKFJJONNCMX-UHFFFAOYSA-N	1	0	356.463	1.900	20	30		FDEDRO
N#CCn1c(CN2CC[NH+](C[C@@H]3CCCO3)CC2)nc2ccccc2c1=O	ZINC000776254534	975254905	/nfs/dbraw/zinc/25/49/05/975254905.db2.gz	YSRKRLQRJZKJHT-INIZCTEOSA-N	1	0	367.453	1.217	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)c1ccncc1)C2	ZINC001110584036	975330466	/nfs/dbraw/zinc/33/04/66/975330466.db2.gz	VPEIPBUABRHBAE-HPBDAGMYSA-N	1	0	356.470	1.888	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000652729519	1014282732	/nfs/dbraw/zinc/28/27/32/1014282732.db2.gz	JAGUCFUYIVSXRG-OKZBNKHCSA-N	1	0	365.518	1.936	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12	ZINC000847606383	975901832	/nfs/dbraw/zinc/90/18/32/975901832.db2.gz	CIJVIGJXTYMZKA-HOCLYGCPSA-N	1	0	374.416	1.800	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1	ZINC000866771698	976022688	/nfs/dbraw/zinc/02/26/88/976022688.db2.gz	ISZFFYPNQRPJNY-SJORKVTESA-N	1	0	367.446	1.604	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1	ZINC000866779924	976035237	/nfs/dbraw/zinc/03/52/37/976035237.db2.gz	WRQXRVHJBDUBLR-MFKMUULPSA-N	1	0	365.352	1.845	20	30		FDEDRO
C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC[C@@H]1CC[N@H+](C)C1	ZINC000847823183	976069861	/nfs/dbraw/zinc/06/98/61/976069861.db2.gz	DFEUDVNTUIIZEM-KGLIPLIRSA-N	1	0	365.455	1.110	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21	ZINC000866824960	976114792	/nfs/dbraw/zinc/11/47/92/976114792.db2.gz	OOZKUGZRXDOZFR-OLZOCXBDSA-N	1	0	370.272	1.836	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)OC[C@@H](C)[NH+]2CCCCC2)c1	ZINC000847961029	976200539	/nfs/dbraw/zinc/20/05/39/976200539.db2.gz	SLEPKNNTRLNFSU-OAHLLOKOSA-N	1	0	364.467	1.629	20	30		FDEDRO
CCN(CC)C(=O)C[NH+]1CCC(NC(=O)Cc2ccccc2CC#N)CC1	ZINC000848063740	976296798	/nfs/dbraw/zinc/29/67/98/976296798.db2.gz	KEHAPBXXCRCEKP-UHFFFAOYSA-N	1	0	370.497	1.744	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)[C@@H]2C1	ZINC000848120956	976343495	/nfs/dbraw/zinc/34/34/95/976343495.db2.gz	STYBCFWJDMOODL-IAGOWNOFSA-N	1	0	361.486	1.799	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)NCCC1CC[NH+](Cc2ccccc2)CC1	ZINC000867653609	976581256	/nfs/dbraw/zinc/58/12/56/976581256.db2.gz	JBOUYRDRCNFPKW-UHFFFAOYSA-N	1	0	364.515	1.969	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	ZINC000848412236	976723391	/nfs/dbraw/zinc/72/33/91/976723391.db2.gz	ZRXQFMVFDBZRCX-SJLPKXTDSA-N	1	0	371.485	1.416	20	30		FDEDRO
COc1ccc(N2CCN(CCNC(=O)[C@H]([NH3+])CCCCC#N)CC2)cc1	ZINC000848414977	976723436	/nfs/dbraw/zinc/72/34/36/976723436.db2.gz	GSJGDOFUVZXGHM-LJQANCHMSA-N	1	0	373.501	1.345	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCNC(C)=O	ZINC001110603887	976899181	/nfs/dbraw/zinc/89/91/81/976899181.db2.gz	UPFHISHEILQGEC-ZACQAIPSSA-N	1	0	351.491	1.463	20	30		FDEDRO
C[C@]1(c2ccc(-c3noc([C@@H](N)CCCCC#N)n3)cc2)NC(=O)NC1=O	ZINC000848623192	976958820	/nfs/dbraw/zinc/95/88/20/976958820.db2.gz	CDXRDGVBODJRLE-SCLBCKFNSA-N	1	0	368.397	1.875	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000867928134	977101656	/nfs/dbraw/zinc/10/16/56/977101656.db2.gz	WLSQNBNCPUQAGQ-SOLBZPMBSA-N	1	0	354.454	1.508	20	30		FDEDRO
CN(C)C(=O)c1cccc(CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)c1	ZINC000867957254	977140062	/nfs/dbraw/zinc/14/00/62/977140062.db2.gz	HEXPOQVFDDVUAA-IBGZPJMESA-N	1	0	362.433	1.763	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCCOc1ncccc1Cl	ZINC000867957863	977141631	/nfs/dbraw/zinc/14/16/31/977141631.db2.gz	AQVLQEPBHBNVRK-INIZCTEOSA-N	1	0	356.813	1.989	20	30		FDEDRO
CN(CCCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)CC(F)(F)F	ZINC000867959066	977143589	/nfs/dbraw/zinc/14/35/89/977143589.db2.gz	NFMCSHIGYJJRNF-HNNXBMFYSA-N	1	0	354.376	1.745	20	30		FDEDRO
CNC(=O)C[C@H](NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)c1ccccc1	ZINC000867976383	977160330	/nfs/dbraw/zinc/16/03/30/977160330.db2.gz	ZZFKEIUJXHVJBT-AZUAARDMSA-N	1	0	362.433	1.739	20	30		FDEDRO
Cn1c(=O)ccc2c1CCC[C@H]2NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000867983066	977167285	/nfs/dbraw/zinc/16/72/85/977167285.db2.gz	JBKSNLSLYSZSSB-XLIONFOSSA-N	1	0	362.433	1.638	20	30		FDEDRO
Cn1c(=O)ccc2c1CCC[C@@H]2NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000867983064	977167714	/nfs/dbraw/zinc/16/77/14/977167714.db2.gz	JBKSNLSLYSZSSB-FXAWDEMLSA-N	1	0	362.433	1.638	20	30		FDEDRO
CC(C)(C)C(=O)N1CCC(NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000867983889	977169457	/nfs/dbraw/zinc/16/94/57/977169457.db2.gz	SIKDZQBWIHORPP-SFHVURJKSA-N	1	0	368.481	1.898	20	30		FDEDRO
C[NH+]=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)NC1CC1	ZINC000849021060	977291375	/nfs/dbraw/zinc/29/13/75/977291375.db2.gz	JYPVXETZNIYCDG-UHFFFAOYSA-N	1	0	350.488	1.689	20	30		FDEDRO
CC(C)CC(=O)N1CCN(C(=O)CCCCCNC2=[NH+]C[C@@H](C)N2)CC1	ZINC000849050614	977293462	/nfs/dbraw/zinc/29/34/62/977293462.db2.gz	ZWLZFAFHLZUPRV-MRXNPFEDSA-N	1	0	365.522	1.201	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1c(F)cccc1N1CCCC1	ZINC000849052580	977294535	/nfs/dbraw/zinc/29/45/35/977294535.db2.gz	JDLANCIBBSEGAR-UHFFFAOYSA-N	1	0	363.481	1.423	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCOCC3CCC3)=[NH+]C[C@H]2C1	ZINC000849086227	977308135	/nfs/dbraw/zinc/30/81/35/977308135.db2.gz	DLFSLMJMXFCOMP-HNNXBMFYSA-N	1	0	352.479	1.684	20	30		FDEDRO
C[NH+]=C(NCCn1cc(Br)ccc1=O)NCc1ccco1	ZINC000849109799	977320486	/nfs/dbraw/zinc/32/04/86/977320486.db2.gz	HXTQTXQZXGEXEL-UHFFFAOYSA-N	1	0	353.220	1.569	20	30		FDEDRO
C[NH+]=C(NCc1ccco1)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000849110484	977321314	/nfs/dbraw/zinc/32/13/14/977321314.db2.gz	ZUICBKJTIWDMGQ-CQSZACIVSA-N	1	0	352.435	1.581	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1	ZINC000868163464	977328838	/nfs/dbraw/zinc/32/88/38/977328838.db2.gz	IQPQSCDYDZMLPF-OAGGEKHMSA-N	1	0	355.398	1.266	20	30		FDEDRO
C[C@@H]1C[C@H](CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)[C@H](C)O1	ZINC000849117338	977330558	/nfs/dbraw/zinc/33/05/58/977330558.db2.gz	ADBKSVKPCDQYPK-LXTVHRRPSA-N	1	0	352.479	1.680	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC[C@@H]21	ZINC000868199983	977343184	/nfs/dbraw/zinc/34/31/84/977343184.db2.gz	DJBPKAGGCRYKCI-AEFFLSMTSA-N	1	0	368.485	1.658	20	30		FDEDRO
COc1ccc(NC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)cc1C#N	ZINC000868204752	977345095	/nfs/dbraw/zinc/34/50/95/977345095.db2.gz	WJWADRHDFBYOEZ-UHFFFAOYSA-N	1	0	357.458	1.905	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1	ZINC000868267847	977421624	/nfs/dbraw/zinc/42/16/24/977421624.db2.gz	QJAQSCMXPOHXHM-CQSZACIVSA-N	1	0	361.417	1.671	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)N1CCN(c2ccc(C#N)cc2)CC1	ZINC000868311000	977490045	/nfs/dbraw/zinc/49/00/45/977490045.db2.gz	ZZRQAXIXVXOEAJ-UHFFFAOYSA-N	1	0	359.474	1.358	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)NCC[N@@H+](C)Cc2ccccc2)cc1	ZINC000108611327	977609493	/nfs/dbraw/zinc/60/94/93/977609493.db2.gz	RNOOJOVZEQOTCL-UHFFFAOYSA-N	1	0	365.433	1.885	20	30		FDEDRO
Cc1cc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)nn1CCC#N	ZINC000849571028	977770606	/nfs/dbraw/zinc/77/06/06/977770606.db2.gz	GDXUFRMSYZEFOY-HZPDHXFCSA-N	1	0	355.446	1.513	20	30		FDEDRO
COc1cc(CNC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)ccc1C#N	ZINC000849597141	977814317	/nfs/dbraw/zinc/81/43/17/977814317.db2.gz	RIAKPVLUGGAYDG-ZWKOTPCHSA-N	1	0	367.453	1.652	20	30		FDEDRO
Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2n[nH]c(C3CC3)c2C#N)cn1	ZINC000849612373	977848771	/nfs/dbraw/zinc/84/87/71/977848771.db2.gz	HTDFRTGVJGLVEY-UKRRQHHQSA-N	1	0	353.430	1.566	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H]1CN(Cc2ccc(C)cc2)CCO1	ZINC000868672024	977888494	/nfs/dbraw/zinc/88/84/94/977888494.db2.gz	FLAFOQYPPVZHEN-OTWHNJEPSA-N	1	0	359.470	1.839	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCOC)OCC	ZINC001110616829	978039693	/nfs/dbraw/zinc/03/96/93/978039693.db2.gz	SNDBGUUIUKFMGT-ZJPYXAASSA-N	1	0	354.491	1.742	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCNC(=O)c1ccncc1)C2	ZINC001110624118	978665976	/nfs/dbraw/zinc/66/59/76/978665976.db2.gz	IGBFFRAZAMJJDZ-KURKYZTESA-N	1	0	356.470	1.889	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1	ZINC000850899801	978714206	/nfs/dbraw/zinc/71/42/06/978714206.db2.gz	YBMIYOHVEUTLAZ-JLTOFOAXSA-N	1	0	371.437	1.632	20	30		FDEDRO
COc1cccc2c1CC[C@]2(CO)[NH2+]CC(=O)NCc1cccc(C#N)c1	ZINC000880379909	979143429	/nfs/dbraw/zinc/14/34/29/979143429.db2.gz	DDLDLJQMGJNEDV-OAQYLSRUSA-N	1	0	365.433	1.607	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000968008500	1014555827	/nfs/dbraw/zinc/55/58/27/1014555827.db2.gz	FQXVMXYLGIXFNJ-DDBAPUKQSA-N	1	0	363.502	1.367	20	30		FDEDRO
C#C[C@@H](NC(=O)NC1CC[NH+](Cc2ccncc2)CC1)C1CCOCC1	ZINC000851963045	979226822	/nfs/dbraw/zinc/22/68/22/979226822.db2.gz	GCUIAHVOECZFOW-LJQANCHMSA-N	1	0	356.470	1.774	20	30		FDEDRO
C#C[C@H](NC(=O)NCc1cccc(OCC[NH+](C)C)c1)C1CCOCC1	ZINC000851974151	979234653	/nfs/dbraw/zinc/23/46/53/979234653.db2.gz	TUYLDQCTEVKWAJ-IBGZPJMESA-N	1	0	359.470	1.855	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1CC[C@]2(C1)C[N@H+](Cc1ccccc1)C[C@H](C)O2	ZINC000880502632	979253645	/nfs/dbraw/zinc/25/36/45/979253645.db2.gz	SLBBCNHRUGMEAP-BBTUJRGHSA-N	1	0	355.482	1.490	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]3CCNC(=O)[C@H]32)c(OC)c1	ZINC000880530619	979277617	/nfs/dbraw/zinc/27/76/17/979277617.db2.gz	HMUYNARWPNFPGJ-QKLQHJQFSA-N	1	0	374.481	1.764	20	30		FDEDRO
N#Cc1cccc([C@@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)C(F)(F)F)c1	ZINC000880924570	979528697	/nfs/dbraw/zinc/52/86/97/979528697.db2.gz	FYFPAZZKJRMZFU-ZIAGYGMSSA-N	1	0	356.348	1.527	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000881130863	979704849	/nfs/dbraw/zinc/70/48/49/979704849.db2.gz	QFAQZJBJRVAQAV-PKOBYXMFSA-N	1	0	356.470	1.867	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)N=[S@](C)(=O)N(C)C)C(C)C	ZINC000882100840	980423629	/nfs/dbraw/zinc/42/36/29/980423629.db2.gz	MDPHGAAQDVLMDE-PEBXRYMYSA-N	1	0	366.553	1.094	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1	ZINC000882523332	980699665	/nfs/dbraw/zinc/69/96/65/980699665.db2.gz	MGUWPSPLRUTRDR-IBGZPJMESA-N	1	0	356.466	1.561	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2)CCN1c1cc[nH+]cc1	ZINC000882620965	980761028	/nfs/dbraw/zinc/76/10/28/980761028.db2.gz	DXJKHLJQSWLHTP-OAHLLOKOSA-N	1	0	356.451	1.994	20	30		FDEDRO
C=CCC[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)[C@@H]1CCCO1	ZINC000883207106	982014607	/nfs/dbraw/zinc/01/46/07/982014607.db2.gz	GSGDOGZYOUUCNL-ILXRZTDVSA-N	1	0	359.513	1.986	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C[NH2+]C)c1	ZINC000883474406	982182450	/nfs/dbraw/zinc/18/24/50/982182450.db2.gz	ODYRCXSLFMQIHP-OAHLLOKOSA-N	1	0	351.472	1.365	20	30		FDEDRO
N#Cc1cccnc1-n1cc(NC(=O)N2CC[NH2+]CCC23CCC3)cn1	ZINC000883555319	982264840	/nfs/dbraw/zinc/26/48/40/982264840.db2.gz	WLBSDEDQAWHSFQ-UHFFFAOYSA-N	1	0	351.414	1.889	20	30		FDEDRO
CC[N@@H+]1CC[C@H]1CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000883601803	982298618	/nfs/dbraw/zinc/29/86/18/982298618.db2.gz	GTOUFBUDKJRKRJ-DLBZAZTESA-N	1	0	355.442	1.053	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC1	ZINC000883773473	982460180	/nfs/dbraw/zinc/46/01/80/982460180.db2.gz	UXKRYVKOSJPIAJ-UHFFFAOYSA-N	1	0	370.497	1.853	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH+]2CCC(OC[C@H]3CCCO3)CC2)CCOCC1	ZINC000859158269	982584366	/nfs/dbraw/zinc/58/43/66/982584366.db2.gz	CEWYIIFZILIPNR-SJLPKXTDSA-N	1	0	352.475	1.718	20	30		FDEDRO
N#CC1(C[C@H](O)CN2CCOC[C@H]2C[C@@H](O)c2ccco2)CCOCC1	ZINC000859165272	982589622	/nfs/dbraw/zinc/58/96/22/982589622.db2.gz	GKCDPDGQHDMXLI-IXDOHACOSA-N	1	0	364.442	1.475	20	30		FDEDRO
C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)C[C@@H](O)CC1(C#N)CCOCC1	ZINC000859191683	982610097	/nfs/dbraw/zinc/61/00/97/982610097.db2.gz	RRIGYEGHRPRAER-GJZGRUSLSA-N	1	0	355.479	1.903	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1	ZINC000859274477	982671058	/nfs/dbraw/zinc/67/10/58/982671058.db2.gz	RLUAAHOHIYVXIL-WMZOPIPTSA-N	1	0	356.426	1.467	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCN(C(=O)Cc3ccccc3)CC1)C2	ZINC000884070693	982817833	/nfs/dbraw/zinc/81/78/33/982817833.db2.gz	VBOSPQGEAHSVQD-IDYZSHNDSA-N	1	0	366.465	1.039	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCC1(c3ccccc3)CCOCC1)C2	ZINC000884090187	982850906	/nfs/dbraw/zinc/85/09/06/982850906.db2.gz	MIQUKMJNHKRYIY-JGCRXCKMSA-N	1	0	353.466	1.990	20	30		FDEDRO
CC[N@H+](CCNC(=O)OC(C)(C)C)C[C@H](O)CC1(C#N)CCOCC1	ZINC000859532740	982901641	/nfs/dbraw/zinc/90/16/41/982901641.db2.gz	IIBWMIYEKVDBFR-OAHLLOKOSA-N	1	0	355.479	1.904	20	30		FDEDRO
CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884122118	982905039	/nfs/dbraw/zinc/90/50/39/982905039.db2.gz	HZWAANBXXSALDI-LASWEOPPSA-N	1	0	362.380	1.501	20	30		FDEDRO
CSc1ccc(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1C#N	ZINC000884128225	982909997	/nfs/dbraw/zinc/90/99/97/982909997.db2.gz	XSMOHOLOOBCFRS-HZPDHXFCSA-N	1	0	360.483	1.943	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCN(c3c(F)cccc3F)C1=O)C2	ZINC000884165756	982941551	/nfs/dbraw/zinc/94/15/51/982941551.db2.gz	NPBYSLRNWPGDAP-UYOZNQOWSA-N	1	0	374.391	1.326	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1nc(CN3CCOCC3)cs1)C2	ZINC000884178305	982950878	/nfs/dbraw/zinc/95/08/78/982950878.db2.gz	IGFSSRRKNPHDBE-UIORMTCPSA-N	1	0	361.471	1.053	20	30		FDEDRO
Cn1ccnc1[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccc(F)cc1	ZINC000884181481	982956582	/nfs/dbraw/zinc/95/65/82/982956582.db2.gz	HIKAAEOADKBHTQ-KLRDNXEFSA-N	1	0	367.428	1.904	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1cccnc1OCC(F)(F)F)C2	ZINC000884186586	982962801	/nfs/dbraw/zinc/96/28/01/982962801.db2.gz	DPAWWRLUKKJCOF-MFOWVQHXSA-N	1	0	368.359	1.778	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(OCC(F)(F)F)nc1)C2	ZINC000884186570	982962885	/nfs/dbraw/zinc/96/28/85/982962885.db2.gz	DJJKBMKWQBOVBV-MFOWVQHXSA-N	1	0	368.359	1.778	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@@H](c1ccccc1)N1CCOCC1)C2	ZINC000884191095	982967054	/nfs/dbraw/zinc/96/70/54/982967054.db2.gz	VTRSWJQOOUTJOP-LSNYBQGISA-N	1	0	368.481	1.315	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1cc(Br)c[nH]c1=O)C2	ZINC000884199575	982975717	/nfs/dbraw/zinc/97/57/17/982975717.db2.gz	DGFRZDHXMDBWRE-ZYTOWTHASA-N	1	0	351.204	1.628	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1	ZINC000884214232	982991920	/nfs/dbraw/zinc/99/19/20/982991920.db2.gz	WVFJPYAGVZSQSQ-QAPCUYQASA-N	1	0	359.470	1.775	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000884223391	982997404	/nfs/dbraw/zinc/99/74/04/982997404.db2.gz	PKDRKMRPTQGKBI-RYQLBKOJSA-N	1	0	359.470	1.460	20	30		FDEDRO
C[C@H](c1cccnc1)N1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1	ZINC000884236342	983013940	/nfs/dbraw/zinc/01/39/40/983013940.db2.gz	SCFLJUFVSSRMLE-FTSJTYPLSA-N	1	0	353.470	1.426	20	30		FDEDRO
C=CC[C@H]1N(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CCCC1(C)C	ZINC000332255346	983025578	/nfs/dbraw/zinc/02/55/78/983025578.db2.gz	BAXFLEGOAPVCPU-IAGOWNOFSA-N	1	0	362.518	1.086	20	30		FDEDRO
N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(OC(F)F)c(Br)c1	ZINC000884250593	983027199	/nfs/dbraw/zinc/02/71/99/983027199.db2.gz	JDAMBJOOIKFRRQ-WPRPVWTQSA-N	1	0	360.158	1.892	20	30		FDEDRO
Cc1cccc([C@@H]2C(=O)NCCN2C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c1	ZINC000884416394	983145709	/nfs/dbraw/zinc/14/57/09/983145709.db2.gz	AFQXNJHFLPNZLE-MUZJZNNISA-N	1	0	352.438	1.134	20	30		FDEDRO
C#CCNC(=O)CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)OC(C)(C)C	ZINC000860041062	983189589	/nfs/dbraw/zinc/18/95/89/983189589.db2.gz	SNIMPKFNSXYVIL-NXOAAHMSSA-N	1	0	361.486	1.703	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)c1	ZINC000923688272	983307328	/nfs/dbraw/zinc/30/73/28/983307328.db2.gz	QMYRMBXYKAZXCQ-AWEZNQCLSA-N	1	0	353.419	1.216	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3ccccc13)C2	ZINC001110794837	983611834	/nfs/dbraw/zinc/61/18/34/983611834.db2.gz	WHHDHSRLZPTBNA-LFEHRJTNSA-N	1	0	366.465	1.965	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])cc1	ZINC000861540465	983770359	/nfs/dbraw/zinc/77/03/59/983770359.db2.gz	NRLPOHSANGYPKC-AWEZNQCLSA-N	1	0	358.442	1.245	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1onc3c1CCCC3)C2	ZINC001110806438	983840810	/nfs/dbraw/zinc/84/08/10/983840810.db2.gz	PSNIXQGAQDXYHK-KFZJALRRSA-N	1	0	372.469	1.579	20	30		FDEDRO
CSc1nc(C2CC2)cc(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)c1C#N	ZINC000861711051	983849916	/nfs/dbraw/zinc/84/99/16/983849916.db2.gz	SANDDPGNHVPFFD-KBPBESRZSA-N	1	0	372.494	1.834	20	30		FDEDRO
C#CC[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C(=O)OC	ZINC000861950379	984008804	/nfs/dbraw/zinc/00/88/04/984008804.db2.gz	DNFYJIIAYHBKFY-ROUUACIJSA-N	1	0	354.450	1.970	20	30		FDEDRO
C[N@@H+]1CCCC[C@H](CNC(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1	ZINC000862032051	984066368	/nfs/dbraw/zinc/06/63/68/984066368.db2.gz	NAGZSGUAAGJURW-CYBMUJFWSA-N	1	0	362.405	1.515	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1	ZINC000118896069	984357758	/nfs/dbraw/zinc/35/77/58/984357758.db2.gz	KLVMNJYCVPOJQH-INIZCTEOSA-N	1	0	357.454	1.875	20	30		FDEDRO
COc1c(O)c(CN2CCN(c3ccc(C#N)nc3)CC2)ccc1[N+](=O)[O-]	ZINC000862421879	984384233	/nfs/dbraw/zinc/38/42/33/984384233.db2.gz	KMHMVQYFYHQVRT-UHFFFAOYSA-N	1	0	369.381	1.898	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)c1	ZINC000862791125	984536375	/nfs/dbraw/zinc/53/63/75/984536375.db2.gz	XPRUNZRKHUFGNK-OAHLLOKOSA-N	1	0	363.483	1.060	20	30		FDEDRO
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C1	ZINC000868751084	984585038	/nfs/dbraw/zinc/58/50/38/984585038.db2.gz	GSDMXDXCBOJHKL-KDYLLFBJSA-N	1	0	359.449	1.869	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(CC[NH3+])Cc1cccc(Cl)c1	ZINC000884728359	984734419	/nfs/dbraw/zinc/73/44/19/984734419.db2.gz	PCBCVWNPRMVHFR-HOCLYGCPSA-N	1	0	365.861	1.335	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H](C[C@H]2COCCO2)C(F)(F)F)CC1	ZINC000828472696	984771020	/nfs/dbraw/zinc/77/10/20/984771020.db2.gz	LNYVGAOELMMYBD-GJZGRUSLSA-N	1	0	362.392	1.574	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000869164273	984919390	/nfs/dbraw/zinc/91/93/90/984919390.db2.gz	MYWQHXAKZHBNQP-RDTXWAMCSA-N	1	0	354.454	1.554	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)/C=C\CN3CCOCC3)CC2)c1	ZINC000869164470	984920389	/nfs/dbraw/zinc/92/03/89/984920389.db2.gz	WIQYNFARCJYHTJ-DJWKRKHSSA-N	1	0	368.481	1.527	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC000884960587	985006817	/nfs/dbraw/zinc/00/68/17/985006817.db2.gz	XVIRMMWEUZSPLC-UONOGXRCSA-N	1	0	363.439	1.250	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC000884960588	985008215	/nfs/dbraw/zinc/00/82/15/985008215.db2.gz	XVIRMMWEUZSPLC-ZIAGYGMSSA-N	1	0	363.439	1.250	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1	ZINC000885096630	985172556	/nfs/dbraw/zinc/17/25/56/985172556.db2.gz	KVRPQNVDASXQSO-SJORKVTESA-N	1	0	365.518	1.840	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)CC1	ZINC000869572702	985202552	/nfs/dbraw/zinc/20/25/52/985202552.db2.gz	XSTUQPZBRKGQJW-INIZCTEOSA-N	1	0	367.490	1.018	20	30		FDEDRO
C=CCC1(O)CCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)CC1	ZINC000885697710	985535199	/nfs/dbraw/zinc/53/51/99/985535199.db2.gz	DWHFKLGJIUQZJR-UHFFFAOYSA-N	1	0	370.519	1.153	20	30		FDEDRO
CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](CCOCC(F)(F)C(F)F)C1	ZINC000646112390	1015150455	/nfs/dbraw/zinc/15/04/55/1015150455.db2.gz	PVQFKHBARHCLAP-JTQLQIEISA-N	1	0	354.266	1.904	20	30		FDEDRO
CO[C@@H]1C[C@H]2C[N@H+](C[C@@H](O)CC3(C#N)CCC3)Cc3cccnc3N2C1	ZINC000886307081	986053495	/nfs/dbraw/zinc/05/34/95/986053495.db2.gz	JCWGPNGBAHCETP-OKZBNKHCSA-N	1	0	356.470	1.936	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@](COC)(C(=O)OC(C)(C)C)C2)CC1	ZINC000870518213	986078767	/nfs/dbraw/zinc/07/87/67/986078767.db2.gz	MNLPSIRSVDSTAK-HXUWFJFHSA-N	1	0	364.486	1.538	20	30		FDEDRO
Cc1nc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c[nH]c(C#N)c2)C3)n1	ZINC001095337487	986146057	/nfs/dbraw/zinc/14/60/57/986146057.db2.gz	YFJOYGIEUJIAGK-IKGGRYGDSA-N	1	0	353.430	1.130	20	30		FDEDRO
C#CCN(C(=O)[C@H]1CCN(Cc2ccccc2)C1=O)C1CC[NH+](C)CC1	ZINC000886571517	986369983	/nfs/dbraw/zinc/36/99/83/986369983.db2.gz	YWEZUEVBORKUQO-IBGZPJMESA-N	1	0	353.466	1.591	20	30		FDEDRO
C#CCN(C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C1CC[NH+](C)CC1	ZINC000886577763	986377930	/nfs/dbraw/zinc/37/79/30/986377930.db2.gz	WJWXEBPTCNTNQL-UHFFFAOYSA-N	1	0	362.405	1.970	20	30		FDEDRO
C#CCN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CC[NH+](C)CC1	ZINC000886583593	986389961	/nfs/dbraw/zinc/38/99/61/986389961.db2.gz	WQKJVWGEPSRICJ-UHFFFAOYSA-N	1	0	367.409	1.950	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1)C1CC[NH+](C)CC1	ZINC000886585450	986390887	/nfs/dbraw/zinc/39/08/87/986390887.db2.gz	WTVWLTVUPYMNKD-MRXNPFEDSA-N	1	0	369.465	1.604	20	30		FDEDRO
C#CCN(C(=O)[C@H](C)N1C(=O)c2ccc(C)cc2C1=O)C1CC[NH+](C)CC1	ZINC000886585463	986391419	/nfs/dbraw/zinc/39/14/19/986391419.db2.gz	XGRRRUZGCINXMA-HNNXBMFYSA-N	1	0	367.449	1.536	20	30		FDEDRO
C#CCN1CCC[C@@H]([NH2+][C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)C1	ZINC000886660892	986465296	/nfs/dbraw/zinc/46/52/96/986465296.db2.gz	IDLURQQYODTMTE-FUHWJXTLSA-N	1	0	361.511	1.975	20	30		FDEDRO
N#Cc1ncn(CC(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)n1	ZINC000870966222	986545564	/nfs/dbraw/zinc/54/55/64/986545564.db2.gz	DEFLQTRVYCRKSS-UHFFFAOYSA-N	1	0	352.442	1.568	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1	ZINC000870982129	986559969	/nfs/dbraw/zinc/55/99/69/986559969.db2.gz	XNMHHUYPOROWQZ-CYBMUJFWSA-N	1	0	368.416	1.460	20	30		FDEDRO
C=CCC1(O)CC[NH+](CCCN2C(=O)CS/C2=C/C(=O)OC)CC1	ZINC000886774581	986578622	/nfs/dbraw/zinc/57/86/22/986578622.db2.gz	QJFAWEHJOBMDTP-NTCAYCPXSA-N	1	0	354.472	1.369	20	30		FDEDRO
COCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1	ZINC000871081666	986652166	/nfs/dbraw/zinc/65/21/66/986652166.db2.gz	AVEGWWSYHSWFFR-QZTJIDSGSA-N	1	0	366.469	1.994	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(c3cc(C(=O)OC)on3)CC2)CC1	ZINC000871219239	986798417	/nfs/dbraw/zinc/79/84/17/986798417.db2.gz	AAPCDKKVKYEENN-UHFFFAOYSA-N	1	0	359.426	1.512	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c(C#N)c1	ZINC000871805008	987250184	/nfs/dbraw/zinc/25/01/84/987250184.db2.gz	KUANOEGYUISKSW-IAGOWNOFSA-N	1	0	363.483	1.774	20	30		FDEDRO
C#CC1CCN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1	ZINC000825574620	987450426	/nfs/dbraw/zinc/45/04/26/987450426.db2.gz	YKZPRCATXUAOHF-UHFFFAOYSA-N	1	0	354.498	1.859	20	30		FDEDRO
C[C@@H]([NH2+]C[C@H](O)CN(C)CCC#N)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000872235396	987533996	/nfs/dbraw/zinc/53/39/96/987533996.db2.gz	UJAQPMRQMMFPIF-WBVHZDCISA-N	1	0	368.522	1.818	20	30		FDEDRO
C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000872235395	987534131	/nfs/dbraw/zinc/53/41/31/987534131.db2.gz	UJAQPMRQMMFPIF-RDJZCZTQSA-N	1	0	368.522	1.818	20	30		FDEDRO
N#CC1(CC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CCCCC1	ZINC000872254239	987544313	/nfs/dbraw/zinc/54/43/13/987544313.db2.gz	XFJGHWBJUFIDNO-CVEARBPZSA-N	1	0	360.458	1.634	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[NH2+]CCC2(C)C)c1	ZINC000872291701	987576811	/nfs/dbraw/zinc/57/68/11/987576811.db2.gz	PMJIBLGGYFCNLH-UHFFFAOYSA-N	1	0	351.472	1.365	20	30		FDEDRO
CN1CC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)Cc2cccnc21	ZINC000872317145	987596899	/nfs/dbraw/zinc/59/68/99/987596899.db2.gz	IKXFPKCYUAAHIC-SFHVURJKSA-N	1	0	352.438	1.839	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N2CCC(OCC[NH+](C)C)CC2)c(C#N)c1	ZINC000872455542	987677428	/nfs/dbraw/zinc/67/74/28/987677428.db2.gz	VEYAGEAEGNKRCH-UHFFFAOYSA-N	1	0	351.472	1.598	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000365679182	987968474	/nfs/dbraw/zinc/96/84/74/987968474.db2.gz	LGLFSCJPQSPVLQ-IAGOWNOFSA-N	1	0	361.417	1.901	20	30		FDEDRO
CN(C)c1ccc(C(N)=[NH+]OCC(=O)NCc2ccc3c(c2)OCO3)cc1	ZINC000299001472	988026363	/nfs/dbraw/zinc/02/63/63/988026363.db2.gz	MMDBJYHVWMFVRU-UHFFFAOYSA-N	1	0	370.409	1.435	20	30		FDEDRO
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@H+]2CCC[C@@H](O)CC2)CC1	ZINC000293309705	988028864	/nfs/dbraw/zinc/02/88/64/988028864.db2.gz	WZGZDRAIHZRYSX-RTBURBONSA-N	1	0	374.460	1.381	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(NC(=O)NCC)ccc1C	ZINC000293427150	988072837	/nfs/dbraw/zinc/07/28/37/988072837.db2.gz	QNVXSLCGMUDJIK-UHFFFAOYSA-N	1	0	373.457	1.146	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCCCCN2C(=O)COC)CC1	ZINC000360588626	988081976	/nfs/dbraw/zinc/08/19/76/988081976.db2.gz	QNPJZUFWBVAZJV-AEFFLSMTSA-N	1	0	363.502	1.254	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC000299169643	988190816	/nfs/dbraw/zinc/19/08/16/988190816.db2.gz	ITTBAWQGVXBRER-CABCVRRESA-N	1	0	358.442	1.764	20	30		FDEDRO
C[N@H+](CCNC(=O)N1CCN(c2ccc(C#N)nc2)CC1)C1CCCC1	ZINC000872883793	988232066	/nfs/dbraw/zinc/23/20/66/988232066.db2.gz	WGAKGMYFGOFLKK-UHFFFAOYSA-N	1	0	356.474	1.659	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1cnn(CC(=O)NC2CCCCC2)c1	ZINC000293877595	988245707	/nfs/dbraw/zinc/24/57/07/988245707.db2.gz	CJXVILCCAGHRAE-UHFFFAOYSA-N	1	0	359.474	1.017	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)CCCC1	ZINC000872923732	988288848	/nfs/dbraw/zinc/28/88/48/988288848.db2.gz	LNSZVZXMFQNAHD-UHFFFAOYSA-N	1	0	356.474	1.659	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1	ZINC000872926799	988293754	/nfs/dbraw/zinc/29/37/54/988293754.db2.gz	KSRANUBKCUFFEF-MRXNPFEDSA-N	1	0	356.474	1.515	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000872967121	988350047	/nfs/dbraw/zinc/35/00/47/988350047.db2.gz	ASMVBLUPVQHZBK-INIZCTEOSA-N	1	0	353.507	1.664	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1	ZINC000361450604	988384480	/nfs/dbraw/zinc/38/44/80/988384480.db2.gz	BTFLDLHOROAUSX-INIZCTEOSA-N	1	0	373.428	1.863	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)ccc1F	ZINC000873103743	988554237	/nfs/dbraw/zinc/55/42/37/988554237.db2.gz	GRAKTNQGXZPFDU-GXSJLCMTSA-N	1	0	358.295	1.231	20	30		FDEDRO
N#Cc1ccc(C[C@H](C#N)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1	ZINC000366274611	988594175	/nfs/dbraw/zinc/59/41/75/988594175.db2.gz	UZDXPMNCOKKGSI-RBUKOAKNSA-N	1	0	366.465	1.858	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCCC4(CCC4)C3)CC2)o1	ZINC000366339968	988631849	/nfs/dbraw/zinc/63/18/49/988631849.db2.gz	FAZQUYKZVPBQRZ-UHFFFAOYSA-N	1	0	357.458	1.769	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)CC1	ZINC000366419592	988687476	/nfs/dbraw/zinc/68/74/76/988687476.db2.gz	LXMUOFYVLZQNDB-CRAIPNDOSA-N	1	0	359.474	1.096	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000362718762	988714876	/nfs/dbraw/zinc/71/48/76/988714876.db2.gz	BAEAHLPPZXGKNF-JXFKEZNVSA-N	1	0	369.513	1.986	20	30		FDEDRO
COc1cccc(Cc2cnc(NC(=O)N[C@@H]3C[NH2+]C[C@H]3C#N)s2)c1	ZINC000873338962	988722762	/nfs/dbraw/zinc/72/27/62/988722762.db2.gz	STQKHCCMJJHYKS-IUODEOHRSA-N	1	0	357.439	1.976	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1	ZINC000366706604	988753009	/nfs/dbraw/zinc/75/30/09/988753009.db2.gz	ZWLWNSADEPJUJW-OTWHNJEPSA-N	1	0	364.534	1.779	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1	ZINC000366712790	988754566	/nfs/dbraw/zinc/75/45/66/988754566.db2.gz	IPWFAXNAZOHVOR-FYQPLNBISA-N	1	0	373.497	1.902	20	30		FDEDRO
CO/N=C/c1ccc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1	ZINC000363071525	988900569	/nfs/dbraw/zinc/90/05/69/988900569.db2.gz	PSNAAKPHABZGLA-RSZPVBOMSA-N	1	0	358.442	1.221	20	30		FDEDRO
N#CC1(c2ccccn2)CCN(C(=O)NCCCC[NH+]2CCOCC2)CC1	ZINC000367157906	988938103	/nfs/dbraw/zinc/93/81/03/988938103.db2.gz	GAHUVTVOEZNQNV-UHFFFAOYSA-N	1	0	371.485	1.761	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC(C(C)=O)CC1	ZINC000873661063	988951063	/nfs/dbraw/zinc/95/10/63/988951063.db2.gz	AMDHQLBXXUWYER-SJORKVTESA-N	1	0	359.474	1.805	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000363185106	988976990	/nfs/dbraw/zinc/97/69/90/988976990.db2.gz	PMDLORAEMYNQJO-MSOLQXFVSA-N	1	0	374.510	1.954	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCNC(=O)[C@H]2c2ccccc2C)CC1	ZINC000368100933	988977769	/nfs/dbraw/zinc/97/77/69/988977769.db2.gz	WSYQTIHTXKUSLW-GOSISDBHSA-N	1	0	356.470	1.828	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C#N	ZINC000873689470	988996326	/nfs/dbraw/zinc/99/63/26/988996326.db2.gz	WWFDDYOCNZAUDG-ZNMIVQPWSA-N	1	0	372.469	1.988	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)CC1	ZINC000368774633	989007972	/nfs/dbraw/zinc/00/79/72/989007972.db2.gz	IUSDDAARHZSSGJ-VQTJNVASSA-N	1	0	369.513	1.638	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCCN(C(=O)c3ccoc3)CC2)CC1	ZINC000369077504	989024163	/nfs/dbraw/zinc/02/41/63/989024163.db2.gz	VHZPYTQYNGPNFU-UHFFFAOYSA-N	1	0	360.458	1.788	20	30		FDEDRO
C[NH+]1CCC(n2ccc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)n2)CC1	ZINC000369383407	989049765	/nfs/dbraw/zinc/04/97/65/989049765.db2.gz	KLEUDBVDMULIBE-KRWDZBQOSA-N	1	0	362.437	2.342	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccccc3OC)C2)CC1	ZINC000369593525	989062031	/nfs/dbraw/zinc/06/20/31/989062031.db2.gz	UTUBEEABLAGDCP-MRXNPFEDSA-N	1	0	369.465	1.652	20	30		FDEDRO
CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OC)c(C#N)c2)C1	ZINC000873737434	989091594	/nfs/dbraw/zinc/09/15/94/989091594.db2.gz	CULMETRSQDANCY-AWEZNQCLSA-N	1	0	358.442	1.696	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1C#N	ZINC000873745590	989106429	/nfs/dbraw/zinc/10/64/29/989106429.db2.gz	JMJWVQOYSNEVFI-QGZVFWFLSA-N	1	0	362.455	1.059	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(NC(=O)c2cccn2C)CC1	ZINC000363379285	989143847	/nfs/dbraw/zinc/14/38/47/989143847.db2.gz	NQBHUAJAFWKZTB-MRXNPFEDSA-N	1	0	358.486	1.808	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1C#N	ZINC000873773573	989156014	/nfs/dbraw/zinc/15/60/14/989156014.db2.gz	RVDHSZPQWYCTMZ-CJNGLKHVSA-N	1	0	356.426	1.448	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCN([C@H]2CCC[N@H+](C)C2)CC1	ZINC000363419906	989181963	/nfs/dbraw/zinc/18/19/63/989181963.db2.gz	YJZHZWNBCUSSBD-MSOLQXFVSA-N	1	0	361.534	1.429	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)nc1	ZINC000363462053	989219380	/nfs/dbraw/zinc/21/93/80/989219380.db2.gz	GLOJWXRINROFJN-MSOLQXFVSA-N	1	0	368.485	1.848	20	30		FDEDRO
C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCCCCC2)C1)C1CC1	ZINC000363480429	989234265	/nfs/dbraw/zinc/23/42/65/989234265.db2.gz	CQGDAIDBYKWYQL-UZLBHIALSA-N	1	0	360.502	1.909	20	30		FDEDRO
C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCCCCC2)C1)C1CC1	ZINC000363480427	989234562	/nfs/dbraw/zinc/23/45/62/989234562.db2.gz	CQGDAIDBYKWYQL-OXQOHEQNSA-N	1	0	360.502	1.909	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(OC)c(C#N)c2)[C@H](C)C1	ZINC000873831451	989275094	/nfs/dbraw/zinc/27/50/94/989275094.db2.gz	UVRVYGZGCBUNTF-CZUORRHYSA-N	1	0	358.442	1.694	20	30		FDEDRO
C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(F)c1	ZINC000873852709	989327017	/nfs/dbraw/zinc/32/70/17/989327017.db2.gz	UYYLNRGKUNEGRS-AWEZNQCLSA-N	1	0	360.433	1.386	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1	ZINC000296974589	989455106	/nfs/dbraw/zinc/45/51/06/989455106.db2.gz	ITDKWDLPPSCRLW-VQTJNVASSA-N	1	0	371.481	1.876	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1C#N	ZINC000873939251	989490895	/nfs/dbraw/zinc/49/08/95/989490895.db2.gz	ZLAQEMWSPVDEGX-ZDUSSCGKSA-N	1	0	358.442	1.742	20	30		FDEDRO
C[C@@H]1CN(CC(=O)Nc2ccc(C#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000370151356	989497744	/nfs/dbraw/zinc/49/77/44/989497744.db2.gz	VOHXGWIHYZBNHX-APWZRJJASA-N	1	0	355.486	1.455	20	30		FDEDRO
CN1CCC([N@@H+]2CC[C@@H](NC(=O)C3(c4ccc(C#N)cc4)CC3)C2)CC1	ZINC000364142773	989501509	/nfs/dbraw/zinc/50/15/09/989501509.db2.gz	LTOXNSJNFZNZCI-GOSISDBHSA-N	1	0	352.482	1.875	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(C#N)cc1	ZINC000873972072	989551104	/nfs/dbraw/zinc/55/11/04/989551104.db2.gz	XADWQCSRJUMTOZ-UHFFFAOYSA-N	1	0	358.442	1.314	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCC(n2c3ccccc3[nH]c2=O)CC1	ZINC000297497183	989551283	/nfs/dbraw/zinc/55/12/83/989551283.db2.gz	NYGBLNVDHRZSOZ-UHFFFAOYSA-N	1	0	369.469	1.631	20	30		FDEDRO
CON=C(C(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1csc(N)n1	ZINC000873975860	989564007	/nfs/dbraw/zinc/56/40/07/989564007.db2.gz	ICMAVUXGVKFLHI-LLVKDONJSA-N	1	0	353.473	1.556	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)COc1ccc(C#N)cc1	ZINC000364540645	989635789	/nfs/dbraw/zinc/63/57/89/989635789.db2.gz	CTAMXZJCOLNAPZ-AYOQOUSVSA-N	1	0	357.454	1.943	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CCC2(CC1)CC[NH+](C)CC2	ZINC000874015386	989644130	/nfs/dbraw/zinc/64/41/30/989644130.db2.gz	WVKWVKWCHJDUGC-UHFFFAOYSA-N	1	0	369.465	1.972	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)[C@H](C#N)C1	ZINC000370307799	989646006	/nfs/dbraw/zinc/64/60/06/989646006.db2.gz	DYXQOLAFRPPWNR-OWCLPIDISA-N	1	0	362.474	1.832	20	30		FDEDRO
CN(C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[C@H]1CCC[C@@H]1C#N	ZINC000874052257	989678057	/nfs/dbraw/zinc/67/80/57/989678057.db2.gz	DDSVMQZLHSZABO-WBVHZDCISA-N	1	0	369.469	1.528	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)cc1	ZINC000364660876	989705223	/nfs/dbraw/zinc/70/52/23/989705223.db2.gz	SZNJDJKUGXVFFP-XVSDVWIESA-N	1	0	353.426	1.820	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN(C)C(=O)C(C)(C)C[NH+]2CCOCC2)c1	ZINC000874096620	989740155	/nfs/dbraw/zinc/74/01/55/989740155.db2.gz	UKDSWSLPVSQPKB-UHFFFAOYSA-N	1	0	357.454	1.423	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1	ZINC000874169428	989855123	/nfs/dbraw/zinc/85/51/23/989855123.db2.gz	DWOCQPHDXJBNSU-RDJZCZTQSA-N	1	0	370.453	1.094	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1	ZINC000874171787	989865179	/nfs/dbraw/zinc/86/51/79/989865179.db2.gz	FPRBYPWOQTWVNP-XJKSGUPXSA-N	1	0	359.401	1.329	20	30		FDEDRO
N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1	ZINC000365048423	989985421	/nfs/dbraw/zinc/98/54/21/989985421.db2.gz	YNLRTNVCQFQSJG-IEBWSBKVSA-N	1	0	366.465	1.650	20	30		FDEDRO
C[NH+](C)C1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1	ZINC000365093249	990018286	/nfs/dbraw/zinc/01/82/86/990018286.db2.gz	ZAGTXLFXDOEVRV-SFHVURJKSA-N	1	0	354.454	1.602	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1	ZINC000365178118	990082765	/nfs/dbraw/zinc/08/27/65/990082765.db2.gz	NKQNRCUHVDUSGR-DNVCBOLYSA-N	1	0	353.426	1.787	20	30		FDEDRO
Cn1cc([C@@H]2[C@H](CNC(=O)COc3ccccc3C#N)CCC[N@@H+]2C)cn1	ZINC000370906451	990111326	/nfs/dbraw/zinc/11/13/26/990111326.db2.gz	VXDVHLDJNMPNCF-JXFKEZNVSA-N	1	0	367.453	1.870	20	30		FDEDRO
Cn1cc([C@@H]2[C@@H](CNC(=O)COc3ccccc3C#N)CCC[N@@H+]2C)cn1	ZINC000370906454	990112882	/nfs/dbraw/zinc/11/28/82/990112882.db2.gz	VXDVHLDJNMPNCF-UZLBHIALSA-N	1	0	367.453	1.870	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000874368168	990194054	/nfs/dbraw/zinc/19/40/54/990194054.db2.gz	NYTCPMTWRZATFD-CABCVRRESA-N	1	0	360.389	1.362	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)cc1C#N	ZINC000874370702	990208498	/nfs/dbraw/zinc/20/84/98/990208498.db2.gz	ZTINZNRDOSPPKP-DLBZAZTESA-N	1	0	370.453	1.979	20	30		FDEDRO
C#C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC1	ZINC000874372373	990209127	/nfs/dbraw/zinc/20/91/27/990209127.db2.gz	WTHUMUCDPODAAP-SHTZXODSSA-N	1	0	357.458	1.397	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)NCC[N@H+]3CC=CCC3)CC2)nc1	ZINC000365414202	990213713	/nfs/dbraw/zinc/21/37/13/990213713.db2.gz	ZJWQOVORFAKZGD-UHFFFAOYSA-N	1	0	354.458	1.483	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)[N@@H+]1CCC[C@@H](C)C1	ZINC000298645349	990213845	/nfs/dbraw/zinc/21/38/45/990213845.db2.gz	FGSHNXCAZVIFSL-IAGOWNOFSA-N	1	0	370.501	1.905	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NCC[N@@H+](CC)C(C)C)s1	ZINC000874470975	990314478	/nfs/dbraw/zinc/31/44/78/990314478.db2.gz	SEATWYMVZOBRSX-UHFFFAOYSA-N	1	0	373.544	1.601	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CC(=O)NCc1ccc(C#N)cc1	ZINC000371292476	990344175	/nfs/dbraw/zinc/34/41/75/990344175.db2.gz	CEZXADXERDBDHY-QYZOEREBSA-N	1	0	356.470	1.358	20	30		FDEDRO
CC(C)N1CC[NH+](C2CCN(CC(=O)N[C@](C)(C#N)C3CC3)CC2)CC1	ZINC000371344399	990370083	/nfs/dbraw/zinc/37/00/83/990370083.db2.gz	LAFJOZIVRQRPMY-HXUWFJFHSA-N	1	0	361.534	1.285	20	30		FDEDRO
C=CCN1CCC(NC(=O)Cc2ccccc2S(=O)(=O)C(F)F)CC1	ZINC000825746020	990436053	/nfs/dbraw/zinc/43/60/53/990436053.db2.gz	BWRQIGDNUISWOL-UHFFFAOYSA-N	1	0	372.437	1.992	20	30		FDEDRO
C=CCN(C(=O)C1CC(=O)NC(=O)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000371585265	990548507	/nfs/dbraw/zinc/54/85/07/990548507.db2.gz	IHEVYWCBAKEACA-KRWDZBQOSA-N	1	0	355.438	1.328	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C	ZINC000371999641	990884634	/nfs/dbraw/zinc/88/46/34/990884634.db2.gz	QKJNUWOFPKVBLJ-XHSDSOJGSA-N	1	0	367.490	1.683	20	30		FDEDRO
C[NH+](C)C[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)c2ccccc2O1	ZINC000372004158	990884671	/nfs/dbraw/zinc/88/46/71/990884671.db2.gz	NFWMZZGLIPROLZ-MRXNPFEDSA-N	1	0	355.442	1.472	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1	ZINC000372106178	990924173	/nfs/dbraw/zinc/92/41/73/990924173.db2.gz	WFEZAZVTYRAREG-FUHWJXTLSA-N	1	0	370.453	1.422	20	30		FDEDRO
Cc1cc(NC(=O)CCN2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)no1	ZINC000372228656	990972775	/nfs/dbraw/zinc/97/27/75/990972775.db2.gz	ORISRJBNWZCECD-DJJJIMSYSA-N	1	0	365.393	1.657	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000875166899	990991460	/nfs/dbraw/zinc/99/14/60/990991460.db2.gz	OGEFQTQDOLBHNW-MOPGFXCFSA-N	1	0	371.481	1.169	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)CN2CCCC[C@H]2C(=[NH2+])NO)c(OC)c1	ZINC000372309006	991006761	/nfs/dbraw/zinc/00/67/61/991006761.db2.gz	MHAIUOOATZJGOD-CVEARBPZSA-N	1	0	363.458	1.974	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1	ZINC000875178202	991013410	/nfs/dbraw/zinc/01/34/10/991013410.db2.gz	LGLFUJCJMWWODW-DOTOQJQBSA-N	1	0	359.470	1.387	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CSC[C@H]3C2)CC1	ZINC000875182283	991022531	/nfs/dbraw/zinc/02/25/31/991022531.db2.gz	JTQCUVAQIDEEFP-HUUCEWRRSA-N	1	0	351.516	1.355	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1	ZINC000372362171	991041438	/nfs/dbraw/zinc/04/14/38/991041438.db2.gz	VKKHBTYDBGDHPK-VQIMIIECSA-N	1	0	368.481	1.091	20	30		FDEDRO
C=CCN(C(=O)C(=O)Nc1ccnn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000372636240	991288352	/nfs/dbraw/zinc/28/83/52/991288352.db2.gz	ZVSGZQKFYFROJV-QGZVFWFLSA-N	1	0	367.453	1.648	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@H]1CO	ZINC000372651711	991300929	/nfs/dbraw/zinc/30/09/29/991300929.db2.gz	KFLRDFRCFFQXAE-IRXDYDNUSA-N	1	0	370.453	1.253	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)c1C#N	ZINC000372662877	991317352	/nfs/dbraw/zinc/31/73/52/991317352.db2.gz	HDSXCMJQIUZVIG-CVEARBPZSA-N	1	0	370.453	1.253	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N1CCC(CC)([NH+]2CCCC2)CC1)[C@@H]1CCCO1	ZINC000875325058	991321568	/nfs/dbraw/zinc/32/15/68/991321568.db2.gz	ONRNZFHFMRQIAW-IRXDYDNUSA-N	1	0	361.486	1.150	20	30		FDEDRO
Cc1ccc(N(CCC#N)C(=O)CN2CCC[N@@H+]([C@H](C)CO)CC2)cc1C	ZINC000372736047	991427027	/nfs/dbraw/zinc/42/70/27/991427027.db2.gz	GLKSIXXUWNPHFP-LJQANCHMSA-N	1	0	372.513	1.939	20	30		FDEDRO
C[NH+](C)C1CCN(CCNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1	ZINC000875428097	991528441	/nfs/dbraw/zinc/52/84/41/991528441.db2.gz	BSBZUEFAEJAEFT-GOSISDBHSA-N	1	0	355.486	1.351	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1	ZINC000372834185	991577788	/nfs/dbraw/zinc/57/77/88/991577788.db2.gz	BKRBRKVLLQBBLU-SFHVURJKSA-N	1	0	360.458	1.609	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1Cc2cccnc2N2C[C@H](OC)C[C@H]2C1	ZINC000875622454	991819911	/nfs/dbraw/zinc/81/99/11/991819911.db2.gz	IKVBPYKCWNCSIG-ZWKOTPCHSA-N	1	0	371.485	1.156	20	30		FDEDRO
O=C(Cn1nccn1)N[C@H]1C[C@H]2CC[C@@H]1N2CC#Cc1ccc(F)cc1	ZINC001095473813	991916181	/nfs/dbraw/zinc/91/61/81/991916181.db2.gz	RDOBYBVTIXIXLT-SQNIBIBYSA-N	1	0	353.401	1.190	20	30		FDEDRO
CC1(C[NH+]2CCOCC2)CCN(CC(=O)NCc2cccc(C#N)c2)CC1	ZINC000373142469	991952607	/nfs/dbraw/zinc/95/26/07/991952607.db2.gz	UEIFJQIZWXYESK-UHFFFAOYSA-N	1	0	370.497	1.609	20	30		FDEDRO
CON(C)C(=O)[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000875898679	992149577	/nfs/dbraw/zinc/14/95/77/992149577.db2.gz	JXRSEUDZXNNMQX-AWEZNQCLSA-N	1	0	361.446	1.040	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCC[C@@H]([NH+]3CCOCC3)CC1)C2	ZINC000876278807	992519184	/nfs/dbraw/zinc/51/91/84/992519184.db2.gz	HYNFUWOFRIODIQ-VQTJNVASSA-N	1	0	368.481	1.922	20	30		FDEDRO
CN(CCCN1CC[NH+](C)CC1)C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1	ZINC000876278673	992519735	/nfs/dbraw/zinc/51/97/35/992519735.db2.gz	JQEJRAXEFQLSRN-LJQANCHMSA-N	1	0	355.486	1.304	20	30		FDEDRO
C#CC1CCN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC1	ZINC000825876789	992593370	/nfs/dbraw/zinc/59/33/70/992593370.db2.gz	OJELFNVOWIMJHD-UHFFFAOYSA-N	1	0	356.470	1.533	20	30		FDEDRO
C#C[C@H]1CC[C@H](NC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1	ZINC000876442457	992610553	/nfs/dbraw/zinc/61/05/53/992610553.db2.gz	KORDXYXBMGOSOO-NSISKUIASA-N	1	0	355.482	1.897	20	30		FDEDRO
COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1ncc(C#N)cc1Cl	ZINC000876471699	992632035	/nfs/dbraw/zinc/63/20/35/992632035.db2.gz	GKJVAFOLPLXOJL-MRXNPFEDSA-N	1	0	352.822	1.026	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(C(=O)N(C)Cc2ccccc2)CC1	ZINC000876603775	992734497	/nfs/dbraw/zinc/73/44/97/992734497.db2.gz	ACORAMCDUFKNSB-INIZCTEOSA-N	1	0	364.877	1.853	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1	ZINC000876621048	992747390	/nfs/dbraw/zinc/74/73/90/992747390.db2.gz	UAZGVCJZDDHSLG-LSDHHAIUSA-N	1	0	351.834	1.890	20	30		FDEDRO
C[C@H]1CN(C(=O)c2ccccc2OCC#N)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000374286420	992753006	/nfs/dbraw/zinc/75/30/06/992753006.db2.gz	GCNSPKMJWAHOFP-WMZOPIPTSA-N	1	0	356.470	1.687	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCC1N=NC(=S)N1C1CC1	ZINC000876649064	992770574	/nfs/dbraw/zinc/77/05/74/992770574.db2.gz	LAZYMRATBPXLTO-HNNXBMFYSA-N	1	0	354.439	1.277	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCOCC1	ZINC000876709961	992814841	/nfs/dbraw/zinc/81/48/41/992814841.db2.gz	CCEDMUHUCJNUAC-IRXDYDNUSA-N	1	0	367.877	1.655	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](c1cccc(C)c1)N1CCOCC1	ZINC000876722445	992835436	/nfs/dbraw/zinc/83/54/36/992835436.db2.gz	UXFBQYCBJHHRDU-IRXDYDNUSA-N	1	0	351.878	1.954	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1	ZINC000876753771	992874419	/nfs/dbraw/zinc/87/44/19/992874419.db2.gz	OCVIZVOPNXRDQE-MRXNPFEDSA-N	1	0	370.925	1.392	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C	ZINC000374535990	992881092	/nfs/dbraw/zinc/88/10/92/992881092.db2.gz	IWABLOYYFRHRGC-KRWDZBQOSA-N	1	0	358.486	1.889	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)s1	ZINC000876787613	992913971	/nfs/dbraw/zinc/91/39/71/992913971.db2.gz	SKNVATWFVNOTNJ-CYBMUJFWSA-N	1	0	369.512	1.108	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCC[C@@H]1C(=O)Nc2ccccc21	ZINC000876872508	992943202	/nfs/dbraw/zinc/94/32/02/992943202.db2.gz	FVJWFVXEOSLPEZ-PKOBYXMFSA-N	1	0	360.417	1.987	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cccc(CN2CCN(C(C)=O)CC2)c1	ZINC000876895701	992955824	/nfs/dbraw/zinc/95/58/24/992955824.db2.gz	IVSIIWFTUDMXIL-KRWDZBQOSA-N	1	0	364.877	1.759	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CC[C@@H](CN2CCCC2=O)C1	ZINC000876974771	992992037	/nfs/dbraw/zinc/99/20/37/992992037.db2.gz	SFQKKBXHBQUUHL-HNAYVOBHSA-N	1	0	352.438	1.216	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC(N2CCOC2=O)CC1	ZINC000876975185	992992183	/nfs/dbraw/zinc/99/21/83/992992183.db2.gz	BTXDGCKGJFXCEE-QGZVFWFLSA-N	1	0	354.410	1.188	20	30		FDEDRO
COc1ccc(N2CCN(CC[NH2+]Cc3cccc(C#N)n3)CC2)cc1	ZINC000876980880	992994906	/nfs/dbraw/zinc/99/49/06/992994906.db2.gz	OMQWNWKIFGZLOX-UHFFFAOYSA-N	1	0	351.454	1.874	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(-c3cccnc3)nn1)C2	ZINC001095507968	993013370	/nfs/dbraw/zinc/01/33/70/993013370.db2.gz	OGDJRFXJOGTTQQ-HFTRVMKXSA-N	1	0	352.442	1.964	20	30		FDEDRO
N#Cc1ccccc1N1CCC(NC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1	ZINC000877176091	993088677	/nfs/dbraw/zinc/08/86/77/993088677.db2.gz	OLEQDIPZSKHDOD-OAHLLOKOSA-N	1	0	364.453	1.757	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@](C(N)=O)(c3ccccc3)C2)CC1	ZINC000413249786	993189599	/nfs/dbraw/zinc/18/95/99/993189599.db2.gz	ZOFHXUBNQMQMLL-NRFANRHFSA-N	1	0	370.497	1.866	20	30		FDEDRO
CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1(C)C	ZINC000877297522	993195210	/nfs/dbraw/zinc/19/52/10/993195210.db2.gz	SZBGWDFBFVBWEI-QFBILLFUSA-N	1	0	357.458	1.134	20	30		FDEDRO
C=CCOCCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1	ZINC000375541914	993221773	/nfs/dbraw/zinc/22/17/73/993221773.db2.gz	UEESAAAKHJSEGG-UXHICEINSA-N	1	0	368.481	1.955	20	30		FDEDRO
COc1cccc([C@@H](CNC(=O)[C@H](C)n2cnc(C#N)n2)[NH+]2CCCC2)c1	ZINC000466938029	993250690	/nfs/dbraw/zinc/25/06/90/993250690.db2.gz	KKVFFSNAWDHKSV-WMLDXEAASA-N	1	0	368.441	1.673	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCNC(=O)CC1	ZINC001095537637	993302290	/nfs/dbraw/zinc/30/22/90/993302290.db2.gz	AXMCXCOUMWHKFV-BDXSIMOUSA-N	1	0	370.497	1.926	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1	ZINC001095579102	993561900	/nfs/dbraw/zinc/56/19/00/993561900.db2.gz	NOFUUBKFHLBUQS-PMPSAXMXSA-N	1	0	351.410	1.831	20	30		FDEDRO
Cc1nn(C)c(N2CC[NH+](C[C@@H](O)CC3(CO)CCCC3)CC2)c1C#N	ZINC000878494038	993983080	/nfs/dbraw/zinc/98/30/80/993983080.db2.gz	GUUDVPYNPUGCQF-INIZCTEOSA-N	1	0	361.490	1.026	20	30		FDEDRO
C[C@H](CO)[N@@H+]1CCCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1	ZINC000470492142	994034359	/nfs/dbraw/zinc/03/43/59/994034359.db2.gz	LZORZOIQRFORTA-CQSZACIVSA-N	1	0	369.429	1.059	20	30		FDEDRO
C[C@@H]1C[N@@H+](C[C@](C)(O)CN(C)C(=O)OC(C)(C)C)C[C@H](C)N1CC#N	ZINC000878772149	994214638	/nfs/dbraw/zinc/21/46/38/994214638.db2.gz	GPOUKWMKWXQFSJ-RVKKMQEKSA-N	1	0	354.495	1.522	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000471021182	994233724	/nfs/dbraw/zinc/23/37/24/994233724.db2.gz	ZKFPQNXRLSIXCH-NXHRZFHOSA-N	1	0	356.470	1.451	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(=O)n(CCOC)n1)C2	ZINC001095722029	994244933	/nfs/dbraw/zinc/24/49/33/994244933.db2.gz	LQTQTAMOUWEGBV-PVAVHDDUSA-N	1	0	360.458	1.191	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+]C2CC3(CC(NC(=O)[C@H]4C[C@H]4C(N)=O)C3)C2)c1	ZINC000965122643	1015848773	/nfs/dbraw/zinc/84/87/73/1015848773.db2.gz	ZLLGWZWCFRNANR-KDFLPGDSSA-N	1	0	370.428	1.336	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+][C@@H](C)c1nnc(C)[nH]1)C2	ZINC000965159933	1015864490	/nfs/dbraw/zinc/86/44/90/1015864490.db2.gz	HZRCYAJHJOHCCF-NFQPEHEYSA-N	1	0	359.474	1.782	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCCCCCN2CC[NH2+]CC2)cc1F	ZINC000923680766	994744580	/nfs/dbraw/zinc/74/45/80/994744580.db2.gz	CBQPMKSGUSXUPQ-UHFFFAOYSA-N	1	0	354.451	1.051	20	30		FDEDRO
COc1ccc(N2CC[NH+](C[C@H](O)CN(C)[C@H]3CCC[C@H]3C#N)CC2)cc1	ZINC000879309264	994761123	/nfs/dbraw/zinc/76/11/23/994761123.db2.gz	FEPXFSLYRKLOOW-DSKINZAPSA-N	1	0	372.513	1.802	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@@H+](CC(=O)NCCC#N)C1	ZINC000879437539	994912635	/nfs/dbraw/zinc/91/26/35/994912635.db2.gz	CCEZIKOREFBJTE-VGWMRTNUSA-N	1	0	362.474	1.594	20	30		FDEDRO
COC(=O)c1cccc(CN2CCC([NH+]3CCN(C)CC3)CC2)c1C#N	ZINC000879593929	995064109	/nfs/dbraw/zinc/06/41/09/995064109.db2.gz	RLSLMDNGBCIEBT-UHFFFAOYSA-N	1	0	356.470	1.557	20	30		FDEDRO
C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@H]1C[C@H](O)C[N@H+]1C	ZINC000924985109	995211542	/nfs/dbraw/zinc/21/15/42/995211542.db2.gz	DCPKRPYUBGOMPP-CVEARBPZSA-N	1	0	356.426	1.232	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1	ZINC000925379542	995544258	/nfs/dbraw/zinc/54/42/58/995544258.db2.gz	WBOJSIFVKVVULQ-WBVHZDCISA-N	1	0	351.397	1.861	20	30		FDEDRO
COC(=O)c1ccc(OC)c2c1CC[N@H+](CCC(=O)N(C)CCC#N)C2	ZINC000880036567	995574249	/nfs/dbraw/zinc/57/42/49/995574249.db2.gz	LZMQYFSQEPFRTH-UHFFFAOYSA-N	1	0	359.426	1.602	20	30		FDEDRO
C#CC[C@@H]1NC(=O)N(C[C@H]2CCC[N@H+](C3CC3)[C@@H]2c2ccnn2C)C1=O	ZINC000925417214	995578582	/nfs/dbraw/zinc/57/85/82/995578582.db2.gz	NSDXKMYFVVUGJY-KMFMINBZSA-N	1	0	355.442	1.279	20	30		FDEDRO
N#CC1(C[C@H](O)CN2CCC[C@H]([NH2+]C3CCOCC3)C2)CCOCC1	ZINC000880201567	995719678	/nfs/dbraw/zinc/71/96/78/995719678.db2.gz	OVPGAQPXDZFARY-ROUUACIJSA-N	1	0	351.491	1.291	20	30		FDEDRO
CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)COc3ccc(C#N)cc3)C2)[C@H]1C(C)C	ZINC000926262669	996006562	/nfs/dbraw/zinc/00/65/62/996006562.db2.gz	JFBOFYOHFRAWSI-VURPSTOHSA-N	1	0	371.481	1.923	20	30		FDEDRO
N#Cc1cccc(OC2CCN(C(=O)C(=O)N3CC[C@@H](CC[NH3+])C3)CC2)c1	ZINC000926309588	996045597	/nfs/dbraw/zinc/04/55/97/996045597.db2.gz	JZSXXEBGZFOQSP-OAHLLOKOSA-N	1	0	370.453	1.125	20	30		FDEDRO
COC[C@H](CO)[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1	ZINC000926337133	996068096	/nfs/dbraw/zinc/06/80/96/996068096.db2.gz	JEDZCIVAFOEBLP-GJZGRUSLSA-N	1	0	355.479	1.903	20	30		FDEDRO
C#CCN(C(=O)NC[C@H]1CCCN1CC(F)(F)F)C1CC[NH+](C)CC1	ZINC000926533454	996201272	/nfs/dbraw/zinc/20/12/72/996201272.db2.gz	ZORQGZSXUKTESR-OAHLLOKOSA-N	1	0	360.424	1.752	20	30		FDEDRO
Cc1ccc(CNC(=O)N2CCO[C@H](CN3CC[NH+](C)CC3)C2)cc1C#N	ZINC000926856161	996344772	/nfs/dbraw/zinc/34/47/72/996344772.db2.gz	RAWXVDVXTSASIW-LJQANCHMSA-N	1	0	371.485	1.025	20	30		FDEDRO
Cc1ccc(CNC(=O)N2CCC([NH+]3CCN(C)CC3)CC2)cc1C#N	ZINC000926873509	996351765	/nfs/dbraw/zinc/35/17/65/996351765.db2.gz	KBIBVTXRVMFFFU-UHFFFAOYSA-N	1	0	355.486	1.788	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)c(Cl)c1	ZINC000887034314	996847032	/nfs/dbraw/zinc/84/70/32/996847032.db2.gz	QMAHHNTZOINLAP-SNVBAGLBSA-N	1	0	356.760	1.511	20	30		FDEDRO
N#Cc1ccc(Cl)c(NC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)c1	ZINC000887034292	996847463	/nfs/dbraw/zinc/84/74/63/996847463.db2.gz	PMLIHOFOOIONGK-SNVBAGLBSA-N	1	0	356.760	1.511	20	30		FDEDRO
C#CCC1([NH2+]C[C@H](O)COc2cccc(C(=O)OCC)c2)CCOCC1	ZINC000887125864	996955414	/nfs/dbraw/zinc/95/54/14/996955414.db2.gz	MUSHVWJLHDUSRS-KRWDZBQOSA-N	1	0	361.438	1.765	20	30		FDEDRO
C[C@@H]1CN(c2cc[nH+]cc2)CCN1C[C@H](O)COc1ccccc1C#N	ZINC000887134467	996961151	/nfs/dbraw/zinc/96/11/51/996961151.db2.gz	KFTVFOVWPCQKAH-APWZRJJASA-N	1	0	352.438	1.904	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cnccc1-c1ccc(F)cc1	ZINC000890300438	997168034	/nfs/dbraw/zinc/16/80/34/997168034.db2.gz	OXCMXAWDYPXRER-UHFFFAOYSA-N	1	0	368.412	1.898	20	30		FDEDRO
CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)N[C@@H]3CC[C@H](C#N)C3)CC2)C1	ZINC000333421716	997215312	/nfs/dbraw/zinc/21/53/12/997215312.db2.gz	RUUAAYZZXAGZRT-KSZLIROESA-N	1	0	363.506	1.115	20	30		FDEDRO
COc1ccc(CNC(=O)CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)cc1	ZINC000264125918	997407445	/nfs/dbraw/zinc/40/74/45/997407445.db2.gz	WHUFZRFJJBLXJO-UHFFFAOYSA-N	1	0	372.425	1.755	20	30		FDEDRO
C[C@H]1CN(C(=O)c2ccc(CNC(=[NH2+])N3CCOCC3)cc2)C[C@H](C)O1	ZINC000264136353	997411376	/nfs/dbraw/zinc/41/13/76/997411376.db2.gz	ZTCABPOZLLIGDX-GJZGRUSLSA-N	1	0	360.458	1.083	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](c2ccccc2)N(C)C)CC1	ZINC000264147157	997414743	/nfs/dbraw/zinc/41/47/43/997414743.db2.gz	YBLOQURXUSJLDE-KRWDZBQOSA-N	1	0	361.490	1.815	20	30		FDEDRO
[NH2+]=C(NCCCCOCc1ccccc1)N1CCN(c2ncccn2)CC1	ZINC000264265646	997443713	/nfs/dbraw/zinc/44/37/13/997443713.db2.gz	KJYDMHBGGBEUEA-UHFFFAOYSA-N	1	0	368.485	1.910	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1	ZINC000264523338	997530501	/nfs/dbraw/zinc/53/05/01/997530501.db2.gz	INOBLUCHPUYRJC-IYBDPMFKSA-N	1	0	373.453	1.253	20	30		FDEDRO
CO/N=C/c1ccc(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)cc1	ZINC000264787631	997609705	/nfs/dbraw/zinc/60/97/05/997609705.db2.gz	SFDPGLCGJXVETL-RCCKNPSSSA-N	1	0	358.486	1.767	20	30		FDEDRO
C[NH+]=C(NCCCCOCCc1ccccc1)NCCN1CCOCC1	ZINC000264986802	997668281	/nfs/dbraw/zinc/66/82/81/997668281.db2.gz	NZFSZUCMKAYFOX-UHFFFAOYSA-N	1	0	362.518	1.523	20	30		FDEDRO
Cc1nnc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)[nH]1	ZINC001095395962	998092517	/nfs/dbraw/zinc/09/25/17/998092517.db2.gz	BFFPAVRLUYZJDP-IKGGRYGDSA-N	1	0	350.426	1.449	20	30		FDEDRO
CN1CCN(C)CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1	ZINC000888984932	998097381	/nfs/dbraw/zinc/09/73/81/998097381.db2.gz	FMSMOKSGZOXHLJ-UHFFFAOYSA-N	1	0	353.426	1.533	20	30		FDEDRO
C#CCC1(NC(=O)NCc2ccncc2OCCC[NH+](C)C)CCOCC1	ZINC000889051726	998131923	/nfs/dbraw/zinc/13/19/23/998131923.db2.gz	IDXGMZANCWLVEB-UHFFFAOYSA-N	1	0	374.485	1.784	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cnc1C(F)(F)F	ZINC000889749213	998585711	/nfs/dbraw/zinc/58/57/11/998585711.db2.gz	GDHBLECOLZVSRZ-ZIAGYGMSSA-N	1	0	368.359	1.643	20	30		FDEDRO
N#Cc1cccc(-c2cc(C(=O)N3CC[C@H]4[C@H]3CCC[N@H+]4CCO)on2)c1	ZINC000889758358	998610733	/nfs/dbraw/zinc/61/07/33/998610733.db2.gz	ZHEJRXBLDDGRLR-ZWKOTPCHSA-N	1	0	366.421	1.884	20	30		FDEDRO
C=C(Cl)CNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000889941374	998737250	/nfs/dbraw/zinc/73/72/50/998737250.db2.gz	TZBNWLZKVUDNDW-MRXNPFEDSA-N	1	0	362.861	1.778	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N(C)C(=O)CC)cc2)CC1	ZINC000889960904	998747896	/nfs/dbraw/zinc/74/78/96/998747896.db2.gz	HWPZDRZAVRNERV-UHFFFAOYSA-N	1	0	372.469	1.765	20	30		FDEDRO
C#CCCCCNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000890011627	998772558	/nfs/dbraw/zinc/77/25/58/998772558.db2.gz	ZHLNBUOQZURYTM-LJQANCHMSA-N	1	0	368.481	1.829	20	30		FDEDRO
CCN(CCC#N)C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000890129487	998831428	/nfs/dbraw/zinc/83/14/28/998831428.db2.gz	RVSCBGZUHSHNGR-GOSISDBHSA-N	1	0	369.469	1.672	20	30		FDEDRO
CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000890149511	998844504	/nfs/dbraw/zinc/84/45/04/998844504.db2.gz	UFTFXIFPXITAHQ-MAUKXSAKSA-N	1	0	369.469	1.718	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)Nc1cccc(CC#N)n1)[C@H](c1ccccc1)[NH+](C)C	ZINC000890187263	998866103	/nfs/dbraw/zinc/86/61/03/998866103.db2.gz	DKNYITBWSPJPJM-RDTXWAMCSA-N	1	0	365.437	1.894	20	30		FDEDRO
CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)Nc2cccc(CC#N)n2)CC1	ZINC000890416472	998935833	/nfs/dbraw/zinc/93/58/33/998935833.db2.gz	BEHWVHKEMQFHDL-UHFFFAOYSA-N	1	0	369.469	1.953	20	30		FDEDRO
C[NH+]1CCC2(CCN(C(=O)C(=O)Nc3cccc(CC#N)n3)CC2)CC1	ZINC000890418931	998936512	/nfs/dbraw/zinc/93/65/12/998936512.db2.gz	MRAGNEBBFBHURU-UHFFFAOYSA-N	1	0	355.442	1.421	20	30		FDEDRO
Cc1ccc(C#N)c(NC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CCO2)n1	ZINC001066686884	999016578	/nfs/dbraw/zinc/01/65/78/999016578.db2.gz	CCPGUDGDBWARKO-BZUAXINKSA-N	1	0	366.425	1.428	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3cnnn3)cn1)C2	ZINC001110844153	999020897	/nfs/dbraw/zinc/02/08/97/999020897.db2.gz	LVEDRNHKMJEAEJ-XYPHTWIQSA-N	1	0	353.430	1.359	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccccc2CC#N)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000777408983	999069617	/nfs/dbraw/zinc/06/96/17/999069617.db2.gz	HSGNLFWYHBLGFP-YLJYHZDGSA-N	1	0	354.498	1.780	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1	ZINC000266779553	999231612	/nfs/dbraw/zinc/23/16/12/999231612.db2.gz	VRTHZYDTPFGFCH-UHFFFAOYSA-N	1	0	362.386	1.309	20	30		FDEDRO
C[NH+](C)CCN(C(=O)CCNC(=O)C1N=CC=CC1=O)c1ccccc1	ZINC000266901846	999261126	/nfs/dbraw/zinc/26/11/26/999261126.db2.gz	ZIRRVPREQGYXHX-HNENSFHCSA-N	1	0	356.426	1.498	20	30		FDEDRO
C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CCSC1	ZINC000267295024	999304778	/nfs/dbraw/zinc/30/47/78/999304778.db2.gz	JDZKBLYDLXDPJZ-LJQANCHMSA-N	1	0	374.510	1.980	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NC[C@@H]2CCc3nnc(C)n3C2)cc1OC	ZINC000267422474	999331547	/nfs/dbraw/zinc/33/15/47/999331547.db2.gz	LADZOKKSXAMHLA-HNNXBMFYSA-N	1	0	372.473	1.313	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000268072794	999423626	/nfs/dbraw/zinc/42/36/26/999423626.db2.gz	AVYMTDXUZHPUIQ-INMHGKMJSA-N	1	0	369.473	1.195	20	30		FDEDRO
COc1cc(/C=C/C(=O)NC[C@@H](O)C[NH+]2CCCCC2)ccc1OCC#N	ZINC000269651465	999471251	/nfs/dbraw/zinc/47/12/51/999471251.db2.gz	ZSGOMVKEGQQLOO-DBWMJRBXSA-N	1	0	373.453	1.574	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCc2ccc(C#N)cc21)c1cccs1	ZINC000270194796	999524299	/nfs/dbraw/zinc/52/42/99/999524299.db2.gz	ODBMFJAQDTYXBM-INIZCTEOSA-N	1	0	368.462	1.928	20	30		FDEDRO
C[N@H+](CCNC(=O)C(=O)N1CCc2ccc(C#N)cc21)Cc1ccccc1	ZINC000270204717	999526300	/nfs/dbraw/zinc/52/63/00/999526300.db2.gz	PQZAZZGMXJCMLF-UHFFFAOYSA-N	1	0	362.433	1.696	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(C(=O)/C=C/c2ccc(OCC#N)cc2)CC1	ZINC000270375817	999549653	/nfs/dbraw/zinc/54/96/53/999549653.db2.gz	NDUIKNVFJBPZQC-VMPITWQZSA-N	1	0	357.454	1.907	20	30		FDEDRO
COc1ccc(C[C@H](C)CNC(=[NH2+])N2CCN(c3ncccn3)CC2)cc1	ZINC000270410517	999555134	/nfs/dbraw/zinc/55/51/34/999555134.db2.gz	HZFVXSBRJUYIPC-INIZCTEOSA-N	1	0	368.485	1.801	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1cc(OC)ccc1OC(F)F	ZINC000270594264	999583241	/nfs/dbraw/zinc/58/32/41/999583241.db2.gz	MPWDMYGFAACGMA-UHFFFAOYSA-N	1	0	372.416	1.294	20	30		FDEDRO
CCOCCC[NH+]=C(NCc1ncn(C)n1)NCc1ccc(OC)cc1	ZINC000271059559	999654559	/nfs/dbraw/zinc/65/45/59/999654559.db2.gz	VWEFDBVJHNUZOK-UHFFFAOYSA-N	1	0	360.462	1.486	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)nn1CCC#N	ZINC000271187238	999672688	/nfs/dbraw/zinc/67/26/88/999672688.db2.gz	WVCMPVBQSCHVQB-UHFFFAOYSA-N	1	0	374.489	1.624	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1	ZINC000271628384	999718630	/nfs/dbraw/zinc/71/86/30/999718630.db2.gz	BAQSMSBYRUIUPD-HNNXBMFYSA-N	1	0	372.469	1.757	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)CNC(=O)Cc1ccc(O)cc1)C(C)C	ZINC000274299859	999737734	/nfs/dbraw/zinc/73/77/34/999737734.db2.gz	SAZPBWLXQBHUIT-LJQANCHMSA-N	1	0	373.497	1.866	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(F)c1	ZINC000283286760	999747933	/nfs/dbraw/zinc/74/79/33/999747933.db2.gz	OATJVMFOLWGXOL-XJKSGUPXSA-N	1	0	361.392	1.827	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1	ZINC000283447812	999754451	/nfs/dbraw/zinc/75/44/51/999754451.db2.gz	MKCKZNDWRDMNHA-SFHVURJKSA-N	1	0	359.470	1.649	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1nccs1	ZINC000284407076	999826530	/nfs/dbraw/zinc/82/65/30/999826530.db2.gz	QBSWVEMRMDCBPG-UHFFFAOYSA-N	1	0	371.466	1.221	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)CN2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)c1C	ZINC000284918673	999882516	/nfs/dbraw/zinc/88/25/16/999882516.db2.gz	SZXWRBQWTSLNBC-PMACEKPBSA-N	1	0	370.497	1.955	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCOc3ccccc32)CC1	ZINC000285909802	999924674	/nfs/dbraw/zinc/92/46/74/999924674.db2.gz	KERPOXAPNJMYEL-QGZVFWFLSA-N	1	0	357.454	1.783	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(CC)Cc2ccc3c(c2)OCO3)CC1	ZINC000286372720	999944166	/nfs/dbraw/zinc/94/41/66/999944166.db2.gz	CLXHNHRWJNVFTG-UHFFFAOYSA-N	1	0	373.453	1.530	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ncc(C)c(OC)c2C)CC1	ZINC000286466383	999944686	/nfs/dbraw/zinc/94/46/86/999944686.db2.gz	IJLFBFYNIILSQY-UHFFFAOYSA-N	1	0	374.485	1.432	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCO[C@@H](c3ccccc3)C2)CC1	ZINC000286672880	999945906	/nfs/dbraw/zinc/94/59/06/999945906.db2.gz	ONIJMLBMDVRRGT-LJQANCHMSA-N	1	0	371.481	1.743	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2c2cccn2C)CC1	ZINC000286702193	999946909	/nfs/dbraw/zinc/94/69/09/999946909.db2.gz	QAVVBZGYULXGQY-GOSISDBHSA-N	1	0	358.486	1.845	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCCC#N)CC[N@@H+]1Cc1ccccc1	ZINC000286751038	999948758	/nfs/dbraw/zinc/94/87/58/999948758.db2.gz	ROLFYXRCMUREMB-AEFFLSMTSA-N	1	0	356.470	1.966	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NCCCCC#N	ZINC000286795691	999950839	/nfs/dbraw/zinc/95/08/39/999950839.db2.gz	ULGYAMPUMOFXOY-UHFFFAOYSA-N	1	0	366.412	1.665	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc3c(n2)CCCC3)CC1	ZINC000286843140	999952752	/nfs/dbraw/zinc/95/27/52/999952752.db2.gz	YJKNJVUZZBYBIG-UHFFFAOYSA-N	1	0	370.497	1.733	20	30		FDEDRO
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCCc1cccc(C#N)c1	ZINC000466819315	999978596	/nfs/dbraw/zinc/97/85/96/999978596.db2.gz	LXUKJOIHJRNFKH-UHFFFAOYSA-N	1	0	357.502	1.768	20	30		FDEDRO
CC[N@@H+]1CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)[C@H](C)C1	ZINC000288480127	1000020460	/nfs/dbraw/zinc/02/04/60/1000020460.db2.gz	PFTMCCKBAJCBGO-CYBMUJFWSA-N	1	0	354.458	1.703	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C	ZINC000288756050	1000044219	/nfs/dbraw/zinc/04/42/19/1000044219.db2.gz	JIWNROXNPDDHGS-UHFFFAOYSA-N	1	0	359.474	1.147	20	30		FDEDRO
Cn1cc(C[NH2+]CCCn2cc(CO)nn2)c(-c2ccc(C#N)cc2)n1	ZINC000289442646	1000099264	/nfs/dbraw/zinc/09/92/64/1000099264.db2.gz	AWMPGINNKZCDGQ-UHFFFAOYSA-N	1	0	351.414	1.222	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1	ZINC000289521460	1000104210	/nfs/dbraw/zinc/10/42/10/1000104210.db2.gz	PTFFOUIGWLILPQ-MOPGFXCFSA-N	1	0	373.497	1.504	20	30		FDEDRO
C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1	ZINC000290162294	1000125526	/nfs/dbraw/zinc/12/55/26/1000125526.db2.gz	WYMCQYBCHQXGAR-OAHLLOKOSA-N	1	0	361.442	1.153	20	30		FDEDRO
C#CCOc1ccccc1C[NH2+]C[C@@H]1CCCC[C@H]1NS(C)(=O)=O	ZINC000796486761	1016387834	/nfs/dbraw/zinc/38/78/34/1016387834.db2.gz	QBMXZJIFCHWWBH-DOTOQJQBSA-N	1	0	350.484	1.896	20	30		FDEDRO
C[NH+](C)C[C@H]1NC(=O)N(c2ccc3c(c2)CCC(=O)N3CCCC#N)C1=O	ZINC000927211383	1000708458	/nfs/dbraw/zinc/70/84/58/1000708458.db2.gz	BWTVZAZYOPVSPY-OAHLLOKOSA-N	1	0	369.425	1.256	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2	ZINC000927868153	1001152827	/nfs/dbraw/zinc/15/28/27/1001152827.db2.gz	FPUAXRWQFICNGP-AUUYWEPGSA-N	1	0	357.458	1.702	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]CC3)CC2)nc1	ZINC000927896041	1001200934	/nfs/dbraw/zinc/20/09/34/1001200934.db2.gz	XBLMGYRYATVTNT-OAHLLOKOSA-N	1	0	355.442	1.520	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCNC(C)=O	ZINC001110933561	1001204741	/nfs/dbraw/zinc/20/47/41/1001204741.db2.gz	NFEHFZUOMVBLLS-DDBAPUKQSA-N	1	0	351.491	1.463	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H](C)[C@@H](O)CN(C)C(=O)OC(C)(C)C)CC1	ZINC000928648515	1001606151	/nfs/dbraw/zinc/60/61/51/1001606151.db2.gz	MIOORBCSMJGFHW-ZBFHGGJFSA-N	1	0	367.490	1.064	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2C[C@]23CCN(C(=O)OC(C)(C)C)C3)CC1	ZINC000928652938	1001609787	/nfs/dbraw/zinc/60/97/87/1001609787.db2.gz	RTBGYNUXHMAIGW-JXFKEZNVSA-N	1	0	361.486	1.847	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C2CCN(C(=O)[C@@H](C)CSC)CC2)CC1	ZINC000928653445	1001610498	/nfs/dbraw/zinc/61/04/98/1001610498.db2.gz	MMJHHXWMSADQEC-HNNXBMFYSA-N	1	0	365.543	1.438	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C=CC(=O)Nc2ccc3n[nH]cc3c2)CC1	ZINC000928655414	1001611352	/nfs/dbraw/zinc/61/13/52/1001611352.db2.gz	WIKUKBDSVLGPRW-WAYWQWQTSA-N	1	0	351.410	1.271	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)CC1	ZINC000928655892	1001611732	/nfs/dbraw/zinc/61/17/32/1001611732.db2.gz	BWPYLVKXYGQRKP-LJQANCHMSA-N	1	0	359.445	1.413	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C[C@@H](NC(C)=O)c2ccc(F)cc2F)CC1	ZINC000928655832	1001612006	/nfs/dbraw/zinc/61/20/06/1001612006.db2.gz	ZUAHXBLQTARURV-GOSISDBHSA-N	1	0	363.408	1.746	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1	ZINC000928656689	1001612701	/nfs/dbraw/zinc/61/27/01/1001612701.db2.gz	FDMHUEKGKQKJHS-UHFFFAOYSA-N	1	0	354.385	1.199	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)CC1	ZINC000928657047	1001612715	/nfs/dbraw/zinc/61/27/15/1001612715.db2.gz	NQKFYJSMDFHPRN-IYBDPMFKSA-N	1	0	356.470	1.523	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)CC1	ZINC000928659167	1001614517	/nfs/dbraw/zinc/61/45/17/1001614517.db2.gz	GKFDLQISHAGIIN-OAHLLOKOSA-N	1	0	357.429	1.701	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccc(OCc3nc(C)no3)nc2)CC1	ZINC000928660263	1001615330	/nfs/dbraw/zinc/61/53/30/1001615330.db2.gz	JVCDQCFQSRMPRK-UHFFFAOYSA-N	1	0	355.398	1.179	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCC)CC1	ZINC000928660294	1001615369	/nfs/dbraw/zinc/61/53/69/1001615369.db2.gz	LHNGDCDGAQEJIC-SFHVURJKSA-N	1	0	357.454	1.558	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)cc1C#N	ZINC000929154462	1001778628	/nfs/dbraw/zinc/77/86/28/1001778628.db2.gz	MEEOOFAFJCFGMZ-UHFFFAOYSA-N	1	0	356.470	1.864	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1	ZINC000929305847	1001919350	/nfs/dbraw/zinc/91/93/50/1001919350.db2.gz	SLVGPASGHYONFH-UHFFFAOYSA-N	1	0	371.409	1.902	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2cccc(OCC(=O)NCC)c2)CC1	ZINC000929536614	1002178903	/nfs/dbraw/zinc/17/89/03/1002178903.db2.gz	PCUXMWWCPBKIGF-UHFFFAOYSA-N	1	0	358.442	1.421	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1	ZINC000948579722	1002466889	/nfs/dbraw/zinc/46/68/89/1002466889.db2.gz	GCQJXAWFDUIYJW-CXAGYDPISA-N	1	0	357.458	1.195	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H]1CCc2c1cccc2O)C1CC[NH+](C)CC1	ZINC000929950557	1002636933	/nfs/dbraw/zinc/63/69/33/1002636933.db2.gz	KLSPFAHOLMNTQD-KRWDZBQOSA-N	1	0	355.438	1.052	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1	ZINC000948776124	1002665501	/nfs/dbraw/zinc/66/55/01/1002665501.db2.gz	ZUOBNJPPKISWEK-OKZBNKHCSA-N	1	0	363.502	1.655	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](c3ccn(C)n3)C2)CC1	ZINC000930010869	1002734348	/nfs/dbraw/zinc/73/43/48/1002734348.db2.gz	VKJDEMOSHABQNO-MRXNPFEDSA-N	1	0	373.501	1.283	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C(=O)N(C)C)cc1)C2	ZINC001111285048	1002770383	/nfs/dbraw/zinc/77/03/83/1002770383.db2.gz	BBJJCQGRULUNEK-QRVBRYPASA-N	1	0	371.481	1.926	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1	ZINC000930093937	1002804734	/nfs/dbraw/zinc/80/47/34/1002804734.db2.gz	OVHDLZCMWDMBQO-UHFFFAOYSA-N	1	0	360.439	1.569	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1	ZINC000930126748	1002850401	/nfs/dbraw/zinc/85/04/01/1002850401.db2.gz	QTONKFGQOMJKKI-UHFFFAOYSA-N	1	0	359.470	1.716	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1	ZINC000948985595	1002906392	/nfs/dbraw/zinc/90/63/92/1002906392.db2.gz	JGMKUULFELYJND-ZTFGCOKTSA-N	1	0	371.485	1.726	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC000948994876	1002913222	/nfs/dbraw/zinc/91/32/22/1002913222.db2.gz	LBGQGCFPAWOJMY-CXAGYDPISA-N	1	0	357.458	1.195	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H]1CCCC[C@H]1SCC)C1CC[NH+](C)CC1	ZINC000930251730	1002971014	/nfs/dbraw/zinc/97/10/14/1002971014.db2.gz	VLJNSIXOSJZLET-DLBZAZTESA-N	1	0	365.543	1.723	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)N(C)C	ZINC001110984584	1002974697	/nfs/dbraw/zinc/97/46/97/1002974697.db2.gz	IYBGCJIWENSNIU-CBZIJGRNSA-N	1	0	371.547	1.592	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCOC2(CC[NH+]([C@@H](C)COC)CC2)C1	ZINC000949095585	1002985067	/nfs/dbraw/zinc/98/50/67/1002985067.db2.gz	QRZKJDDHCDFRKY-KSZLIROESA-N	1	0	366.502	1.696	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Nc1cccn(Cc2ccccc2)c1=O	ZINC000930337177	1003031904	/nfs/dbraw/zinc/03/19/04/1003031904.db2.gz	QHVMOWGZKPVLJK-UHFFFAOYSA-N	1	0	352.438	1.973	20	30		FDEDRO
C#CCN(C(=O)C(=O)NC[C@@H](SC)C(C)(C)C)C1CC[NH+](C)CC1	ZINC000930349702	1003043658	/nfs/dbraw/zinc/04/36/58/1003043658.db2.gz	ZHESOQICPLVYFI-OAHLLOKOSA-N	1	0	353.532	1.436	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1	ZINC000930363754	1003055575	/nfs/dbraw/zinc/05/55/75/1003055575.db2.gz	BPWPJBONJHQGBZ-UHFFFAOYSA-N	1	0	355.435	1.447	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccnn2C(C)C)C[C@H]1C	ZINC000949371779	1003269684	/nfs/dbraw/zinc/26/96/84/1003269684.db2.gz	GJOXGHLQIXCIAF-ZACQAIPSSA-N	1	0	371.485	1.138	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1	ZINC000949487636	1003389075	/nfs/dbraw/zinc/38/90/75/1003389075.db2.gz	IEJHAEJAEYVCJQ-JQHSSLGASA-N	1	0	363.502	1.274	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCC(C)(C)c1cccnc1)C1CC[NH+](C)CC1	ZINC000930864976	1003604613	/nfs/dbraw/zinc/60/46/13/1003604613.db2.gz	KLONWKRKNHVPBI-UHFFFAOYSA-N	1	0	356.470	1.031	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1	ZINC000949835228	1003737500	/nfs/dbraw/zinc/73/75/00/1003737500.db2.gz	BINRVSWOBWUNPN-KBRIMQKVSA-N	1	0	357.458	1.337	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(O)(Cc3ccccn3)CC2)cc1	ZINC000930983786	1003741283	/nfs/dbraw/zinc/74/12/83/1003741283.db2.gz	UCGCCEXNTCTZGT-LJQANCHMSA-N	1	0	367.449	1.763	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3ccc(CC)o3)C2)CC1	ZINC000949862319	1003757821	/nfs/dbraw/zinc/75/78/21/1003757821.db2.gz	VRXQROSCQWHJLP-CRAIPNDOSA-N	1	0	371.481	1.764	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Nc1ccc(C)c(C(=O)N2CCOCC2)c1	ZINC000931107336	1003894794	/nfs/dbraw/zinc/89/47/94/1003894794.db2.gz	LWHGOHUHIYCSDM-UHFFFAOYSA-N	1	0	372.469	1.544	20	30		FDEDRO
N#C[C@@H]1CC[C@@H]([NH+]2CCN(CCNS(=O)(=O)c3ccccc3)CC2)C1	ZINC000931127718	1003908205	/nfs/dbraw/zinc/90/82/05/1003908205.db2.gz	WXZSWYLAAXOQPA-IAGOWNOFSA-N	1	0	362.499	1.275	20	30		FDEDRO
C#CC1(O)CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1	ZINC000931144690	1003922158	/nfs/dbraw/zinc/92/21/58/1003922158.db2.gz	BKDDUAURGJBWFX-UHFFFAOYSA-N	1	0	355.482	1.359	20	30		FDEDRO
C#CC1(O)CCN(CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)CC1	ZINC000931144884	1003922240	/nfs/dbraw/zinc/92/22/40/1003922240.db2.gz	IZLZFSBMJKSUOV-UHFFFAOYSA-N	1	0	369.509	1.536	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccc(OC(C)C)c(C(N)=O)c2)CC1	ZINC000931235510	1003984669	/nfs/dbraw/zinc/98/46/69/1003984669.db2.gz	FJMCMYGAXWOVRK-UHFFFAOYSA-N	1	0	358.442	1.792	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)Nc1ccc(O[C@H]2CCN(C)C2=O)cc1C	ZINC000931267718	1004009243	/nfs/dbraw/zinc/00/92/43/1004009243.db2.gz	UINTVRSMFXUHSU-SFHVURJKSA-N	1	0	372.469	1.681	20	30		FDEDRO
CN(C(=O)CN1CCC([N@@H+]2CCCOCC2)CC1)C1(C#N)CCCCC1	ZINC000931293318	1004032963	/nfs/dbraw/zinc/03/29/63/1004032963.db2.gz	XREQLICSFWEROL-UHFFFAOYSA-N	1	0	362.518	1.858	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC(F)(F)C1)C2	ZINC001111012090	1004193215	/nfs/dbraw/zinc/19/32/15/1004193215.db2.gz	GSIPXGRGCIJYCZ-TUVASFSCSA-N	1	0	355.429	1.836	20	30		FDEDRO
CC[C@@H]1NC(=O)N(c2cccc(NC(=O)NCC#CC[NH+](C)C)c2)C1=O	ZINC000931504733	1004224087	/nfs/dbraw/zinc/22/40/87/1004224087.db2.gz	KHKWLRAOUKRLMT-HNNXBMFYSA-N	1	0	357.414	1.208	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000966560177	1016861151	/nfs/dbraw/zinc/86/11/51/1016861151.db2.gz	CCDCPSLDNLSMAN-RVKKMQEKSA-N	1	0	371.485	1.537	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[NH+]2CCN(c3nc(C)cc(=O)[nH]3)CC2)cc1	ZINC000931746208	1004470703	/nfs/dbraw/zinc/47/07/03/1004470703.db2.gz	AWPTZAWMBSMMNC-UHFFFAOYSA-N	1	0	365.437	1.623	20	30		FDEDRO
C=C(C)[C@@H](CO)[N@@H+]1C[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C[C@]2(C(=O)OC)C1	ZINC000931949411	1004631847	/nfs/dbraw/zinc/63/18/47/1004631847.db2.gz	BQWHYCMWRTWXJX-HRLGVUPISA-N	1	0	368.474	1.702	20	30		FDEDRO
C#CC[N@@H+](C[C@@H](O)COc1cn(-c2ccccc2)nc1C(=O)OC)C(C)C	ZINC000932386383	1004934115	/nfs/dbraw/zinc/93/41/15/1004934115.db2.gz	PRIXZOLKYAGIJK-QGZVFWFLSA-N	1	0	371.437	1.742	20	30		FDEDRO
COc1ncc(NC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cc1C#N	ZINC000932509114	1004992667	/nfs/dbraw/zinc/99/26/67/1004992667.db2.gz	XINSWJNRXFAZEE-UHFFFAOYSA-N	1	0	373.457	1.928	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(CO)(C(F)(F)F)CC1	ZINC000932831535	1005203842	/nfs/dbraw/zinc/20/38/42/1005203842.db2.gz	PNLIMHCYRHAMMR-AWEZNQCLSA-N	1	0	358.360	1.935	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)N3CC[N@H+](C)C[C@H](C(=O)OC)C3)cc21	ZINC000933084215	1005344112	/nfs/dbraw/zinc/34/41/12/1005344112.db2.gz	OAYADOIGJUPRLD-HNNXBMFYSA-N	1	0	371.441	1.791	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH+]2CCC(S(=O)(=O)N3CCCCC3)CC2)CCC1	ZINC000933085423	1005344568	/nfs/dbraw/zinc/34/45/68/1005344568.db2.gz	GATNRFGVELYBRN-MRXNPFEDSA-N	1	0	369.531	1.711	20	30		FDEDRO
COc1ccc(C[C@@](C)(CO)[NH2+]CC(=O)NC2(C#N)CCCCC2)cc1	ZINC000933424274	1005555644	/nfs/dbraw/zinc/55/56/44/1005555644.db2.gz	HCPIGPUDPUGWKS-IBGZPJMESA-N	1	0	359.470	1.921	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)NC2CCN(c3ccccc3C#N)CC2)CC1	ZINC000933557105	1005579789	/nfs/dbraw/zinc/57/97/89/1005579789.db2.gz	OLMJOFBNIYHCAS-UHFFFAOYSA-N	1	0	356.470	1.754	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H]2CCOC23CCCCC3)CC1	ZINC000933871199	1005651561	/nfs/dbraw/zinc/65/15/61/1005651561.db2.gz	HCXIMEKJSGKLOM-QZTJIDSGSA-N	1	0	362.518	1.760	20	30		FDEDRO
CN1CCN(CC(=O)[C@@H](C#N)c2nc3ccccc3s2)CC[N@H+](C)CC1	ZINC000933993534	1005674386	/nfs/dbraw/zinc/67/43/86/1005674386.db2.gz	WSUYOQXNRNEGIX-OAHLLOKOSA-N	1	0	371.510	1.652	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCN(C)CC[N@H+](C)CC1	ZINC000933995152	1005675153	/nfs/dbraw/zinc/67/51/53/1005675153.db2.gz	ZGMYHTUEEMGYEK-GOSISDBHSA-N	1	0	357.502	1.501	20	30		FDEDRO
C=CC[C@@H]1CC[N@@H+]1CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1	ZINC000934463414	1005748978	/nfs/dbraw/zinc/74/89/78/1005748978.db2.gz	AFDUVBXNBGJPAE-GOSISDBHSA-N	1	0	357.454	1.426	20	30		FDEDRO
C#Cc1ccc(NC(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1	ZINC000934936417	1005818214	/nfs/dbraw/zinc/81/82/14/1005818214.db2.gz	LEWHPZPPJNINKK-UHFFFAOYSA-N	1	0	354.414	1.186	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1=O	ZINC000637664521	1006119623	/nfs/dbraw/zinc/11/96/23/1006119623.db2.gz	IYKLNXHBXKQMOZ-INIZCTEOSA-N	1	0	360.462	1.400	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1	ZINC000954380509	1006649987	/nfs/dbraw/zinc/64/99/87/1006649987.db2.gz	DTIXDPYLRIPYOY-IEZWGBDMSA-N	1	0	363.502	1.369	20	30		FDEDRO
C[C@H](O)C[C@@H]1CCC[N@@H+]1CN1CC(=O)N(Cc2ccccc2C#N)C1=O	ZINC000155428207	1006680674	/nfs/dbraw/zinc/68/06/74/1006680674.db2.gz	HFRHNSOTLOXLFT-YOEHRIQHSA-N	1	0	356.426	1.515	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@H](C)Cc2c[nH]cn2)C1	ZINC000954394407	1006691281	/nfs/dbraw/zinc/69/12/81/1006691281.db2.gz	JQLJSRZONRWEFC-COXVUDFISA-N	1	0	360.458	1.239	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](c1cccnc1)C(C)C)C2	ZINC001111187113	1006744313	/nfs/dbraw/zinc/74/43/13/1006744313.db2.gz	JNFRVWCULUFEML-XSYGEPLQSA-N	1	0	370.497	1.845	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)Cn2cc([C@@H]3CCC[NH2+]C3)nn2)c(OC)c1	ZINC000641207486	1007016720	/nfs/dbraw/zinc/01/67/20/1007016720.db2.gz	JQACQHZEKGXDFJ-SJORKVTESA-N	1	0	372.469	1.922	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+](C)Cc2ccc(OCCN3CCOCC3)cc2)C1=O	ZINC000639132159	1007043712	/nfs/dbraw/zinc/04/37/12/1007043712.db2.gz	GHLLZGPYMQXKKW-FQEVSTJZSA-N	1	0	373.497	1.616	20	30		FDEDRO
C[C@]1(NC(=O)c2ccc(C#N)[nH]2)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1	ZINC000956832719	1007191799	/nfs/dbraw/zinc/19/17/99/1007191799.db2.gz	IMXHSZJFPLHBOA-VFVRVIDISA-N	1	0	352.398	1.134	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1	ZINC000955365960	1007390943	/nfs/dbraw/zinc/39/09/43/1007390943.db2.gz	CFMMXRPYNRFIDL-SQNIBIBYSA-N	1	0	363.502	1.367	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C	ZINC000957074428	1007660664	/nfs/dbraw/zinc/66/06/64/1007660664.db2.gz	DHIMUAZOPLCLOL-IXDOHACOSA-N	1	0	358.486	1.593	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)CC1	ZINC000075180671	1007733850	/nfs/dbraw/zinc/73/38/50/1007733850.db2.gz	SACSMCROIFIHTL-UHFFFAOYSA-N	1	0	366.465	1.803	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2CNC(=O)[C@H]2CC[C@@H](C)O2)CC1	ZINC000956052762	1007827286	/nfs/dbraw/zinc/82/72/86/1007827286.db2.gz	WGRAQLHSUHGUAG-BPQIPLTHSA-N	1	0	361.486	1.006	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2	ZINC000956112533	1007885657	/nfs/dbraw/zinc/88/56/57/1007885657.db2.gz	LQXUTFQHPLDXFM-BBWFWOEESA-N	1	0	361.486	1.171	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@](C)(NC(=O)C23CC[NH+](CC2)C3)C1	ZINC000957224771	1008013618	/nfs/dbraw/zinc/01/36/18/1008013618.db2.gz	VREUJJYXOHEESY-TXPKVOOTSA-N	1	0	361.486	1.171	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nc1	ZINC000957458509	1008310337	/nfs/dbraw/zinc/31/03/37/1008310337.db2.gz	YCPBEYBJOGDHFL-IWKCEXAMSA-N	1	0	368.481	1.370	20	30		FDEDRO
C=CCn1cc(C(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)nn1	ZINC000648790898	1008625669	/nfs/dbraw/zinc/62/56/69/1008625669.db2.gz	GDKYCECBFYFCGS-UHFFFAOYSA-N	1	0	373.432	1.876	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCN1C(=O)C12CC[NH+](CC1)C2	ZINC000950185745	1008815690	/nfs/dbraw/zinc/81/56/90/1008815690.db2.gz	VXYLQJUDHTVOJR-IKGGRYGDSA-N	1	0	361.486	1.171	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCS(=O)(=O)NC)C1	ZINC001111745421	1008870792	/nfs/dbraw/zinc/87/07/92/1008870792.db2.gz	YCZOBOAQAORJLA-VYDXJSESSA-N	1	0	357.520	1.251	20	30		FDEDRO
COC1(CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)CCOCC1	ZINC000305224104	1008876627	/nfs/dbraw/zinc/87/66/27/1008876627.db2.gz	VBBWRCWUGJEZNS-AWEZNQCLSA-N	1	0	368.478	1.063	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)C(C)(C)[NH+]1CCCC1	ZINC000950218969	1008877932	/nfs/dbraw/zinc/87/79/32/1008877932.db2.gz	YTPJUMIHLSYJHL-ULQDDVLXSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C12CCC[NH+]1CCC2	ZINC000950231246	1008913447	/nfs/dbraw/zinc/91/34/47/1008913447.db2.gz	UXDOWTBCEKOAGM-BBWFWOEESA-N	1	0	361.486	1.313	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000950386513	1009114468	/nfs/dbraw/zinc/11/44/68/1009114468.db2.gz	XEPSFIBTBURBTD-XMTFNYHQSA-N	1	0	372.513	1.981	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(Cc4ccccc4C#N)C[C@H]32)CC[N@@H+]1C	ZINC000959963810	1009215113	/nfs/dbraw/zinc/21/51/13/1009215113.db2.gz	FMGQIYSEDVADKU-CENDIDJXSA-N	1	0	352.482	1.835	20	30		FDEDRO
CN1C(=O)CC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1	ZINC001095906665	1009240900	/nfs/dbraw/zinc/24/09/00/1009240900.db2.gz	HQIQQBPPPARIMZ-VSZNYVQBSA-N	1	0	352.438	1.401	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC000950673656	1009495620	/nfs/dbraw/zinc/49/56/20/1009495620.db2.gz	FAMQJBHWBATNQA-UKPHBRMFSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H](CC)C2)c1	ZINC000647268215	1009570374	/nfs/dbraw/zinc/57/03/74/1009570374.db2.gz	XBTPAKHVHXLMSB-XJKSGUPXSA-N	1	0	351.472	1.350	20	30		FDEDRO
CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1	ZINC001111320853	1009587513	/nfs/dbraw/zinc/58/75/13/1009587513.db2.gz	LOODHXGSNMKVGQ-TVFCKZIOSA-N	1	0	369.469	1.617	20	30		FDEDRO
C[C@@H]1CC[C@H](C(=O)NCC[NH+]2CCC(Nc3ccc(C#N)nc3)CC2)O1	ZINC001111322664	1009590719	/nfs/dbraw/zinc/59/07/19/1009590719.db2.gz	UXVPMMAOBGHVOQ-RDTXWAMCSA-N	1	0	357.458	1.513	20	30		FDEDRO
CNC(=O)c1cccc(CNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)c1	ZINC000303910684	1009688587	/nfs/dbraw/zinc/68/85/87/1009688587.db2.gz	ZCSLUHHJNDLTBG-UHFFFAOYSA-N	1	0	369.444	1.822	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](O)COC)CCOCC1	ZINC001111332520	1009711090	/nfs/dbraw/zinc/71/10/90/1009711090.db2.gz	DAZXBFSGMQXRQA-TWMKSMIVSA-N	1	0	352.475	1.088	20	30		FDEDRO
C=CCc1ccc(OCC(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c(OC)c1	ZINC000647678156	1009831072	/nfs/dbraw/zinc/83/10/72/1009831072.db2.gz	VKMAUVKDBJZKCA-QGZVFWFLSA-N	1	0	359.470	1.309	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C	ZINC000950978474	1010195207	/nfs/dbraw/zinc/19/52/07/1010195207.db2.gz	CFQORSYNMTVTDU-NUJGCVRESA-N	1	0	358.486	1.735	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1	ZINC000950982303	1010209850	/nfs/dbraw/zinc/20/98/50/1010209850.db2.gz	SXLLUNRAOSZJPI-BBWFWOEESA-N	1	0	361.486	1.171	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2C)nc1	ZINC000950987586	1010226740	/nfs/dbraw/zinc/22/67/40/1010226740.db2.gz	CURGESBHASQMTJ-OLMNPRSZSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1	ZINC000648245411	1010319090	/nfs/dbraw/zinc/31/90/90/1010319090.db2.gz	ZCZBBEALOJNPGK-IBGZPJMESA-N	1	0	371.481	1.735	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]2C)cc1	ZINC000959656895	1010387263	/nfs/dbraw/zinc/38/72/63/1010387263.db2.gz	VBNONDZOCIBSER-GPMSIDNRSA-N	1	0	353.466	1.586	20	30		FDEDRO
CCc1cccc2c(CCNC(NCCN3CCOCC3)=[NH+]C)c[nH]c21	ZINC000304758153	1010477802	/nfs/dbraw/zinc/47/78/02/1010477802.db2.gz	PPNLVKOOGUQJSW-UHFFFAOYSA-N	1	0	357.502	1.770	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccc(C[NH+](C)C)cc1	ZINC000952173047	1011362770	/nfs/dbraw/zinc/36/27/70/1011362770.db2.gz	LPLSDFITDLYXAY-QRVBRYPASA-N	1	0	371.481	1.670	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3[C@@H]2CCCN3C(=O)C#CC2CC2)CC[N@@H+]1C	ZINC000963059645	1011796529	/nfs/dbraw/zinc/79/65/29/1011796529.db2.gz	SZFKSPBCMOSEFU-ZSYWTGECSA-N	1	0	357.498	1.722	20	30		FDEDRO
N#Cc1ccc(F)c(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCNC2=O)C3)c1	ZINC001095868008	1011991858	/nfs/dbraw/zinc/99/18/58/1011991858.db2.gz	BWICWNQUEJKWNU-OHFALNGGSA-N	1	0	356.401	1.055	20	30		FDEDRO
O=C(N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21)[C@@H]1CCO[C@H]1C1CC1	ZINC000961305787	1012215259	/nfs/dbraw/zinc/21/52/59/1012215259.db2.gz	WUZJYNSAWGBOTR-MJCUULBUSA-N	1	0	350.462	1.900	20	30		FDEDRO
CN(C)C(=O)[C@H]1CC[C@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)O1	ZINC000305771505	1012471802	/nfs/dbraw/zinc/47/18/02/1012471802.db2.gz	KNBRQRMGLJFDIS-CHWSQXEVSA-N	1	0	374.363	1.948	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1	ZINC000953973949	1012992575	/nfs/dbraw/zinc/99/25/75/1012992575.db2.gz	IHSAUDZQZFZULF-SZMVWBNQSA-N	1	0	363.502	1.369	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H]([NH2+]C3CCC4(CC3)OCCO4)C2=O)cc1	ZINC000190602216	178013384	/nfs/dbraw/zinc/01/33/84/178013384.db2.gz	WRUMBRUUKCHHKD-SFHVURJKSA-N	1	0	355.438	1.934	20	30		FDEDRO
CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000190613492	178014022	/nfs/dbraw/zinc/01/40/22/178014022.db2.gz	UZZRUOVDVMCACL-MAUKXSAKSA-N	1	0	356.470	1.896	20	30		FDEDRO
C[C@H](O)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H](C)CO	ZINC000190809683	178024389	/nfs/dbraw/zinc/02/43/89/178024389.db2.gz	YUHDYCCFXBBARB-STQMWFEESA-N	1	0	365.499	1.891	20	30		FDEDRO
N#Cc1ccc2c(c1)N(C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)CC2	ZINC000277444732	781919002	/nfs/dbraw/zinc/91/90/02/781919002.db2.gz	HIAKREKAGKPVLP-KRWDZBQOSA-N	1	0	352.438	1.580	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1	ZINC000246472791	178427124	/nfs/dbraw/zinc/42/71/24/178427124.db2.gz	QDHRLZNBKMFOBY-PMPSAXMXSA-N	1	0	371.489	1.441	20	30		FDEDRO
CO[C@H](C)C[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000513261787	538991281	/nfs/dbraw/zinc/99/12/81/538991281.db2.gz	PFWOFSXRCMCVIX-HUUCEWRRSA-N	1	0	350.488	1.424	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)C[C@H](C)[N@H+]1C	ZINC000513269245	538991923	/nfs/dbraw/zinc/99/19/23/538991923.db2.gz	SUKPORYQBPOUJF-RVKKMQEKSA-N	1	0	354.454	1.600	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@](C)(CCO)COC)c(OC)c1	ZINC000267964545	674043793	/nfs/dbraw/zinc/04/37/93/674043793.db2.gz	UKBDIKJVQIMQIS-LPHOPBHVSA-N	1	0	353.459	1.541	20	30		FDEDRO
CC(C)OCCOC[C@H](O)C[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000265279102	179328398	/nfs/dbraw/zinc/32/83/98/179328398.db2.gz	WOHYKBOCQRBWKM-QZTJIDSGSA-N	1	0	366.458	1.032	20	30		FDEDRO
C[C@H]1C[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)C[N@@H+]1Cc1ccccc1	ZINC000268125940	180003818	/nfs/dbraw/zinc/00/38/18/180003818.db2.gz	GWXTVYIKDWPZFA-ZFWWWQNUSA-N	1	0	353.426	1.031	20	30		FDEDRO
CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000268054928	179986718	/nfs/dbraw/zinc/98/67/18/179986718.db2.gz	NITPPMOHUZBBEP-ZDUSSCGKSA-N	1	0	366.849	1.623	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@](CO)(c2ccccc2)C1	ZINC000528510028	539764077	/nfs/dbraw/zinc/76/40/77/539764077.db2.gz	OXJFEDNPDNBYNJ-TZIWHRDSSA-N	1	0	352.434	1.934	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1	ZINC000528517061	539765666	/nfs/dbraw/zinc/76/56/66/539765666.db2.gz	MMFUOLBOILOSEV-JQHSSLGASA-N	1	0	365.433	1.579	20	30		FDEDRO
C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CCc3ccc(C#N)cc32)c1	ZINC000270216720	180460640	/nfs/dbraw/zinc/46/06/40/180460640.db2.gz	RRGSIWQQJWAQNE-UHFFFAOYSA-N	1	0	362.433	1.825	20	30		FDEDRO
Cc1nnc(-c2cccc(C#N)c2)n1CN1CC[C@H]2CC[C@@H](C1)S2(=O)=O	ZINC000530109201	539887440	/nfs/dbraw/zinc/88/74/40/539887440.db2.gz	XSEFYDTVPFYUNM-SJORKVTESA-N	1	0	371.466	1.734	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)CNc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1	ZINC000530237702	539917767	/nfs/dbraw/zinc/91/77/67/539917767.db2.gz	IYZAAYMDNGXNJL-UXHICEINSA-N	1	0	367.449	1.977	20	30		FDEDRO
C[C@@H]([NH2+]CC1(N2CCSCC2)CCCC1)C(=O)NC1(C#N)CCC1	ZINC000530327541	539942766	/nfs/dbraw/zinc/94/27/66/539942766.db2.gz	DWGGWBJTFXIVCJ-OAHLLOKOSA-N	1	0	350.532	1.889	20	30		FDEDRO
C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000530768406	540038977	/nfs/dbraw/zinc/03/89/77/540038977.db2.gz	BMRFIYWKVMLVQB-LJQANCHMSA-N	1	0	355.486	1.727	20	30		FDEDRO
CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CC(=O)N(CCC#N)CCC#N)C1	ZINC000532097829	540137973	/nfs/dbraw/zinc/13/79/73/540137973.db2.gz	RCVFATOWCPOKGM-SJORKVTESA-N	1	0	361.490	1.659	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)n(CCC#N)n1	ZINC000532601296	540176304	/nfs/dbraw/zinc/17/63/04/540176304.db2.gz	PTGDDKAZIXJAER-CABCVRRESA-N	1	0	360.462	1.423	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NC[C@H](O)COc1ccccc1Br	ZINC000268716093	674096247	/nfs/dbraw/zinc/09/62/47/674096247.db2.gz	MNJOXYKYIHLZRR-MNOVXSKESA-N	1	0	360.252	1.128	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)[C@H]1OC	ZINC000275193152	181258197	/nfs/dbraw/zinc/25/81/97/181258197.db2.gz	FUGUCJBNACFEGI-IPMKNSEASA-N	1	0	374.485	1.824	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@H]4COCC[C@H]43)CC2)o1	ZINC000533345944	540236404	/nfs/dbraw/zinc/23/64/04/540236404.db2.gz	IAIWLYPGDLKJDA-DOTOQJQBSA-N	1	0	373.457	1.004	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)n(CCC#N)n1	ZINC000533460926	540251097	/nfs/dbraw/zinc/25/10/97/540251097.db2.gz	QURCAXNXDLHUNW-INIZCTEOSA-N	1	0	374.489	1.528	20	30		FDEDRO
C=C(C)COc1cccc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)c1	ZINC000533814863	540290461	/nfs/dbraw/zinc/29/04/61/540290461.db2.gz	NWYSKVWKHYVGOA-UHFFFAOYSA-N	1	0	354.410	1.625	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)COc2ccccc2Br)CC1	ZINC000535017997	540440560	/nfs/dbraw/zinc/44/05/60/540440560.db2.gz	SLZVBMXNKJEVBW-UHFFFAOYSA-N	1	0	352.232	1.932	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1	ZINC000535758569	540505337	/nfs/dbraw/zinc/50/53/37/540505337.db2.gz	VVDLIRHDHUGSBD-LJQANCHMSA-N	1	0	353.470	1.603	20	30		FDEDRO
COC(=O)CCN1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)[C@H](C)C1	ZINC000537141859	540691400	/nfs/dbraw/zinc/69/14/00/540691400.db2.gz	OFHOFIBNUKVNIY-OAHLLOKOSA-N	1	0	373.453	1.811	20	30		FDEDRO
CC(C)CN(C)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000537587732	540747436	/nfs/dbraw/zinc/74/74/36/540747436.db2.gz	VSYHZLUUQRXRTI-UHFFFAOYSA-N	1	0	352.504	1.754	20	30		FDEDRO
CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1(C)C	ZINC000275385184	181305751	/nfs/dbraw/zinc/30/57/51/181305751.db2.gz	AEMFYVCRLKUUOL-DNVCBOLYSA-N	1	0	357.458	1.134	20	30		FDEDRO
COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C)c2=O)c1	ZINC000539597719	540976383	/nfs/dbraw/zinc/97/63/83/540976383.db2.gz	WMMKHSQVLZZSSX-UHFFFAOYSA-N	1	0	371.462	1.277	20	30		FDEDRO
C=CC[C@@H](CO)CNC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000540411680	541054895	/nfs/dbraw/zinc/05/48/95/541054895.db2.gz	GNNZDTZBAQBLPF-LJQANCHMSA-N	1	0	360.502	1.288	20	30		FDEDRO
COCCNS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C#N)s2)cc1	ZINC000540590967	541079021	/nfs/dbraw/zinc/07/90/21/541079021.db2.gz	BYCYMYHMLMFGEP-UHFFFAOYSA-N	1	0	365.480	1.834	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCC2=CC[N@H+](C)CC2)cc1	ZINC000540563357	541075228	/nfs/dbraw/zinc/07/52/28/541075228.db2.gz	KIQQPIJMVIZHKY-UHFFFAOYSA-N	1	0	371.441	1.311	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N=c2cc(C)n([C@H](C)C3CC3)[nH]2)CC1	ZINC000541362561	541194817	/nfs/dbraw/zinc/19/48/17/541194817.db2.gz	GQNVJWKUZGXLQY-CQSZACIVSA-N	1	0	359.474	1.868	20	30		FDEDRO
CC[C@H]1C[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)CC(=O)N1	ZINC000541675173	541244518	/nfs/dbraw/zinc/24/45/18/541244518.db2.gz	STKLSIFTEZMCGV-MSOLQXFVSA-N	1	0	356.470	1.753	20	30		FDEDRO
C#CCCOc1ccc(C[N@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cc1	ZINC000269542225	674110119	/nfs/dbraw/zinc/11/01/19/674110119.db2.gz	XFMXECDHVMUPNQ-QGZVFWFLSA-N	1	0	350.484	1.850	20	30		FDEDRO
CC[C@@H]1C[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC(=O)N1	ZINC000543550932	541609550	/nfs/dbraw/zinc/60/95/50/541609550.db2.gz	FSUXPXJEJMHYQL-ZWKOTPCHSA-N	1	0	356.470	1.753	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1	ZINC000544882322	541850136	/nfs/dbraw/zinc/85/01/36/541850136.db2.gz	WQRIJEUAPVCGLQ-MSOLQXFVSA-N	1	0	359.470	1.691	20	30		FDEDRO
C[C@@H]1CCC[C@@](CNC(=O)C(=O)NCc2cccc(C#N)c2)([NH+](C)C)C1	ZINC000283535581	182209032	/nfs/dbraw/zinc/20/90/32/182209032.db2.gz	DNDDEEHIXZACDJ-FOIQADDNSA-N	1	0	356.470	1.801	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)C1	ZINC000283852023	182293445	/nfs/dbraw/zinc/29/34/45/182293445.db2.gz	FSTNSNBKNYZUSA-NVXWUHKLSA-N	1	0	356.470	1.972	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1	ZINC000283873439	182299532	/nfs/dbraw/zinc/29/95/32/182299532.db2.gz	GQAXMVUUZMKCBD-HNNXBMFYSA-N	1	0	372.469	1.353	20	30		FDEDRO
C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(COc3ccccc3C#N)o2)C1	ZINC000545863066	542030676	/nfs/dbraw/zinc/03/06/76/542030676.db2.gz	PHLNAHFCVDLALP-LJQANCHMSA-N	1	0	355.394	1.527	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1	ZINC000545900021	542044391	/nfs/dbraw/zinc/04/43/91/542044391.db2.gz	OBBYMDURGVSQNB-UHFFFAOYSA-N	1	0	367.457	1.414	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNS(=O)(=O)CC2(C#N)CCCC2)ccn1	ZINC000546075854	542091899	/nfs/dbraw/zinc/09/18/99/542091899.db2.gz	DGJBPJMQKAGBBF-UHFFFAOYSA-N	1	0	366.487	1.525	20	30		FDEDRO
CCO[C@@H]1COCC[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000546159535	542112664	/nfs/dbraw/zinc/11/26/64/542112664.db2.gz	SKTZNJLFYVGQIL-RBUKOAKNSA-N	1	0	374.485	1.825	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)CC2)n1	ZINC000546219755	542128049	/nfs/dbraw/zinc/12/80/49/542128049.db2.gz	KLVHZACVUFOZNT-QGZVFWFLSA-N	1	0	368.485	1.802	20	30		FDEDRO
C[NH+](C)CCCOc1ccc(CNS(=O)(=O)c2ccc(C#N)o2)cc1	ZINC000286711649	183132856	/nfs/dbraw/zinc/13/28/56/183132856.db2.gz	BDLQTLKTHORNPB-UHFFFAOYSA-N	1	0	363.439	1.960	20	30		FDEDRO
CC[N@@H+]1C[C@H](C)N(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C[C@H]1C	ZINC000546612242	542182332	/nfs/dbraw/zinc/18/23/32/542182332.db2.gz	HLLVGZCKOVNTAU-CABCVRRESA-N	1	0	367.457	2.394	20	30		FDEDRO
C[C@H](C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)n1cnc(C#N)n1	ZINC000546688431	542200393	/nfs/dbraw/zinc/20/03/93/542200393.db2.gz	XAZBBGQFSQKYNR-OAHLLOKOSA-N	1	0	352.442	1.834	20	30		FDEDRO
C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NCCn1cnc(C#N)n1)C1CC1	ZINC000287194536	183233241	/nfs/dbraw/zinc/23/32/41/183233241.db2.gz	PEFUWENSVGKYSP-QGZVFWFLSA-N	1	0	367.457	1.360	20	30		FDEDRO
C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)c2ccc(C#N)cc2F)CC1	ZINC000546732809	542211768	/nfs/dbraw/zinc/21/17/68/542211768.db2.gz	VNFVBBPCFXAXKE-UHFFFAOYSA-N	1	0	368.478	1.392	20	30		FDEDRO
CC(C)O[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1(C)C	ZINC000296283997	184149357	/nfs/dbraw/zinc/14/93/57/184149357.db2.gz	OXDLYKZKVCQPND-HUUCEWRRSA-N	1	0	351.472	1.909	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2nnn(C)n2)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087200715	781973400	/nfs/dbraw/zinc/97/34/00/781973400.db2.gz	KDCYNAKOFSVXBL-CJNGLKHVSA-N	1	0	353.430	1.112	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1	ZINC000547312069	542309968	/nfs/dbraw/zinc/30/99/68/542309968.db2.gz	GFLFBEKCPDSVSZ-AWEZNQCLSA-N	1	0	365.441	2.219	20	30		FDEDRO
CCC[NH+]1CCN(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1	ZINC000547319382	542312054	/nfs/dbraw/zinc/31/20/54/542312054.db2.gz	MLUCVVOUWRCLEW-UHFFFAOYSA-N	1	0	353.430	2.007	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1	ZINC000547418416	542336220	/nfs/dbraw/zinc/33/62/20/542336220.db2.gz	USTCNMBSBOFKMM-UHFFFAOYSA-N	1	0	356.426	1.496	20	30		FDEDRO
CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)[C@@H](C)C1	ZINC000161155357	258263540	/nfs/dbraw/zinc/26/35/40/258263540.db2.gz	QPZMENGBHQTMIJ-GUYCJALGSA-N	1	0	352.442	1.785	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000169076102	258264091	/nfs/dbraw/zinc/26/40/91/258264091.db2.gz	PRJFGTLVZFLHCE-KRWDZBQOSA-N	1	0	355.442	1.637	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000173209980	258293593	/nfs/dbraw/zinc/29/35/93/258293593.db2.gz	XFOWBGBJDUNOQO-INIZCTEOSA-N	1	0	368.437	1.757	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)Nc1cc(-n2cnnn2)ccc1F)c1ccc(C#N)cc1	ZINC000548932925	542809721	/nfs/dbraw/zinc/80/97/21/542809721.db2.gz	JEOVCQRDDQSLKA-GFCCVEGCSA-N	1	0	365.372	1.962	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C2CC2)C(C)(C)CO)CC1	ZINC000550101671	543006107	/nfs/dbraw/zinc/00/61/07/543006107.db2.gz	RRMPPSQPFVRSKE-SJLPKXTDSA-N	1	0	350.507	1.065	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1	ZINC000550715289	543157483	/nfs/dbraw/zinc/15/74/83/543157483.db2.gz	CMJPJCLSVDTSHN-LBPRGKRZSA-N	1	0	369.391	1.728	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1	ZINC000550842703	543186026	/nfs/dbraw/zinc/18/60/26/543186026.db2.gz	FHJWOEVIQFSQRN-KRWDZBQOSA-N	1	0	363.421	1.530	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1	ZINC000550995000	543212377	/nfs/dbraw/zinc/21/23/77/543212377.db2.gz	YSKVCSXDTITALU-UHFFFAOYSA-N	1	0	373.501	1.264	20	30		FDEDRO
C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)C[C@@H](C)C1	ZINC000551685197	543321636	/nfs/dbraw/zinc/32/16/36/543321636.db2.gz	YUBJZCKPTZBJDC-AHIWAGSCSA-N	1	0	358.417	1.825	20	30		FDEDRO
C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CCn1cnc(C#N)n1	ZINC000552335575	543452064	/nfs/dbraw/zinc/45/20/64/543452064.db2.gz	WUAXWPAAHQHTKR-AWEZNQCLSA-N	1	0	366.425	1.594	20	30		FDEDRO
N#CC1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1	ZINC000552402421	543462882	/nfs/dbraw/zinc/46/28/82/543462882.db2.gz	NNDMEGZMVAIREM-LJQANCHMSA-N	1	0	368.481	1.429	20	30		FDEDRO
N#CC1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1	ZINC000552510669	543478960	/nfs/dbraw/zinc/47/89/60/543478960.db2.gz	CSAMCIQWACNKKO-MRXNPFEDSA-N	1	0	374.510	1.838	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCN(CC[NH+]3CCCCC3)CC2)cc1	ZINC000072980781	172055335	/nfs/dbraw/zinc/05/53/35/172055335.db2.gz	IEAMEOYYEAXYMV-UHFFFAOYSA-N	1	0	362.499	1.350	20	30		FDEDRO
C[C@@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)C[C@@H](C)O1	ZINC000077538586	172127684	/nfs/dbraw/zinc/12/76/84/172127684.db2.gz	GSZXMELSMMBJCF-CHWSQXEVSA-N	1	0	362.405	1.251	20	30		FDEDRO
C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000079290727	172160663	/nfs/dbraw/zinc/16/06/63/172160663.db2.gz	KTIQTNYUXYQWFE-INIZCTEOSA-N	1	0	356.474	1.659	20	30		FDEDRO
COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCN(S(C)(=O)=O)C1	ZINC000085789894	172219653	/nfs/dbraw/zinc/21/96/53/172219653.db2.gz	XFUUZJBQGKRJNN-GOSISDBHSA-N	1	0	365.499	1.678	20	30		FDEDRO
CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1	ZINC000091242367	172281472	/nfs/dbraw/zinc/28/14/72/172281472.db2.gz	ZQVOSKFEDOUDPR-CQSZACIVSA-N	1	0	360.462	1.391	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1	ZINC000097024937	172325868	/nfs/dbraw/zinc/32/58/68/172325868.db2.gz	LMPGUJPYTZQRRM-KRWDZBQOSA-N	1	0	370.453	1.458	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2CCN(c3ccc(C#N)cc3F)CC2)CC1	ZINC000101558512	172334607	/nfs/dbraw/zinc/33/46/07/172334607.db2.gz	RTBVDJGLOSZFPZ-UHFFFAOYSA-N	1	0	373.476	1.420	20	30		FDEDRO
CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000102812032	172355451	/nfs/dbraw/zinc/35/54/51/172355451.db2.gz	GWAJWILPTBTCNA-LLVKDONJSA-N	1	0	368.384	1.945	20	30		FDEDRO
CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1	ZINC000123589562	172940313	/nfs/dbraw/zinc/94/03/13/172940313.db2.gz	KWSVEDDTFUELDU-LBPRGKRZSA-N	1	0	352.416	1.429	20	30		FDEDRO
C[NH2+]CC1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1	ZINC000123805639	172948401	/nfs/dbraw/zinc/94/84/01/172948401.db2.gz	DJRJTTHYCZDPPK-UHFFFAOYSA-N	1	0	372.288	1.941	20	30		FDEDRO
CC1CC[NH+](CCNC(=O)N2CCN(c3ncccc3C#N)CC2)CC1	ZINC000127027961	173062640	/nfs/dbraw/zinc/06/26/40/173062640.db2.gz	BNWKOHCRIGJZLZ-UHFFFAOYSA-N	1	0	356.474	1.517	20	30		FDEDRO
Cc1ccc(CN2CCOCC2)cc1[N-]S(=O)(=O)c1ccc(C#N)nc1	ZINC000127329503	173071668	/nfs/dbraw/zinc/07/16/68/173071668.db2.gz	GERBHRZZRQBIDL-UHFFFAOYSA-N	1	0	372.450	1.895	20	30		FDEDRO
N#Cc1ccc2ncc(CN3CCCN(C(=O)c4ccncc4)CC3)n2c1	ZINC000128861436	173121871	/nfs/dbraw/zinc/12/18/71/173121871.db2.gz	JGJYIHKLZPHKKA-UHFFFAOYSA-N	1	0	360.421	1.949	20	30		FDEDRO
COc1cc(C#N)ccc1OCCN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000131169057	173192193	/nfs/dbraw/zinc/19/21/93/173192193.db2.gz	CXFLEBWTENCCNJ-QGZVFWFLSA-N	1	0	372.469	1.360	20	30		FDEDRO
N#Cc1cc(F)c(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c(F)c1	ZINC000132901306	173246993	/nfs/dbraw/zinc/24/69/93/173246993.db2.gz	IUXAAMFUXLJDRN-HNNXBMFYSA-N	1	0	362.380	1.391	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1nn(C(C)C)cc1C#N	ZINC000133416733	173264196	/nfs/dbraw/zinc/26/41/96/173264196.db2.gz	KAIOOMZYHNSTEV-CABCVRRESA-N	1	0	358.446	1.359	20	30		FDEDRO
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC1	ZINC000133928623	173315163	/nfs/dbraw/zinc/31/51/63/173315163.db2.gz	OPQBHHLWNGSKAE-HUUCEWRRSA-N	1	0	358.446	1.856	20	30		FDEDRO
C[C@@H]1OCC[C@@H]1S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000135520535	173346950	/nfs/dbraw/zinc/34/69/50/173346950.db2.gz	LLUQKNKNOAGRRQ-YOEHRIQHSA-N	1	0	351.472	1.429	20	30		FDEDRO
C[C@@H]1OCC[C@@H]1S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000135550482	173348186	/nfs/dbraw/zinc/34/81/86/173348186.db2.gz	LJDTVPIZDHJGME-YOEHRIQHSA-N	1	0	351.472	1.429	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2cc(C#N)ccc2C)CC1	ZINC000171382789	173878436	/nfs/dbraw/zinc/87/84/36/173878436.db2.gz	IDCDSOHERKHSKM-UHFFFAOYSA-N	1	0	357.458	1.885	20	30		FDEDRO
CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000176918200	174094726	/nfs/dbraw/zinc/09/47/26/174094726.db2.gz	CRHRVAKEFCFWSZ-CQSZACIVSA-N	1	0	366.849	1.623	20	30		FDEDRO
CC[C@@H](CO)[NH+]1CCN(CC(=O)Nc2sc(C)c(C)c2C#N)CC1	ZINC000177351348	174122917	/nfs/dbraw/zinc/12/29/17/174122917.db2.gz	JMFKGQBIOYZAKO-AWEZNQCLSA-N	1	0	350.488	1.564	20	30		FDEDRO
C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1	ZINC000177530496	174139343	/nfs/dbraw/zinc/13/93/43/174139343.db2.gz	CFTCCHXUPDWBJN-LBPRGKRZSA-N	1	0	366.368	1.651	20	30		FDEDRO
CS(=O)(=O)NCCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000181431561	174224864	/nfs/dbraw/zinc/22/48/64/174224864.db2.gz	SXCHMIACJPKGLD-UHFFFAOYSA-N	1	0	350.488	1.052	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1	ZINC000173794413	258311115	/nfs/dbraw/zinc/31/11/15/258311115.db2.gz	BCCPMFILARNWEX-SFHVURJKSA-N	1	0	372.469	1.691	20	30		FDEDRO
N#Cc1ncn(CC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1	ZINC000178724892	258333469	/nfs/dbraw/zinc/33/34/69/258333469.db2.gz	RXLMPIIHQQDGNE-MSOLQXFVSA-N	1	0	364.453	1.663	20	30		FDEDRO
CC[N@H+](CCOC)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000553238603	543593293	/nfs/dbraw/zinc/59/32/93/543593293.db2.gz	RFETZSPGEMFTQX-HNNXBMFYSA-N	1	0	350.488	1.425	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@]3(C2)OCc2ccccc23)CC1	ZINC000553330738	543611037	/nfs/dbraw/zinc/61/10/37/543611037.db2.gz	SBMPTJWCZVLHRE-OAQYLSRUSA-N	1	0	369.465	1.411	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@]3(CCCOC3)C2)CC1	ZINC000553373431	543621968	/nfs/dbraw/zinc/62/19/68/543621968.db2.gz	BFLKVYUHFQZWLA-FQEVSTJZSA-N	1	0	363.502	1.562	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1	ZINC000553712069	543686347	/nfs/dbraw/zinc/68/63/47/543686347.db2.gz	PVCHEZBFGWJQAB-BRWVUGGUSA-N	1	0	361.486	1.217	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(OC)cc2C)CC1	ZINC000553735779	543689096	/nfs/dbraw/zinc/68/90/96/543689096.db2.gz	YZESXFTYTAADEV-UHFFFAOYSA-N	1	0	359.470	1.777	20	30		FDEDRO
Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC(C)(C)CCC#N	ZINC000553570474	543660521	/nfs/dbraw/zinc/66/05/21/543660521.db2.gz	NSJVYGAXVUHEIS-UHFFFAOYSA-N	1	0	355.508	1.670	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]C2CCN(C(=O)c3ccco3)CC2)cc1	ZINC000555564650	543975052	/nfs/dbraw/zinc/97/50/52/543975052.db2.gz	RSIXSBRVZJVPQZ-KRWDZBQOSA-N	1	0	369.421	1.785	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NCc1ccccc1C[NH+]1CCCCC1	ZINC000555779278	544027498	/nfs/dbraw/zinc/02/74/98/544027498.db2.gz	QWBKYEPFPJGTQM-UHFFFAOYSA-N	1	0	373.497	1.950	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1	ZINC000555691167	544006909	/nfs/dbraw/zinc/00/69/09/544006909.db2.gz	FXMZRKPLHXIONQ-QGZVFWFLSA-N	1	0	361.511	1.975	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000555893286	544048485	/nfs/dbraw/zinc/04/84/85/544048485.db2.gz	BPWHSIQVJAOTOY-IRXDYDNUSA-N	1	0	351.491	1.912	20	30		FDEDRO
N#CC1CCN(C(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC1	ZINC000557028745	544236240	/nfs/dbraw/zinc/23/62/40/544236240.db2.gz	JOZXFTWOCULDKR-UHFFFAOYSA-N	1	0	374.510	1.838	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCCC1	ZINC000557180385	544257907	/nfs/dbraw/zinc/25/79/07/544257907.db2.gz	GOAIXALOGHWUSY-IBGZPJMESA-N	1	0	368.481	1.798	20	30		FDEDRO
COc1cc(CNC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)ccc1C#N	ZINC000557199779	544261978	/nfs/dbraw/zinc/26/19/78/544261978.db2.gz	KAPHZZHXXWYALX-IEBWSBKVSA-N	1	0	372.469	1.995	20	30		FDEDRO
CC(C)[N@@H+]1CCO[C@@H](CN2CCN(c3nccc(C#N)c3Cl)CC2)C1	ZINC000557585283	544313685	/nfs/dbraw/zinc/31/36/85/544313685.db2.gz	QVEALHYZKAJRFD-INIZCTEOSA-N	1	0	363.893	1.838	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)cc1Cl	ZINC000558351001	544413731	/nfs/dbraw/zinc/41/37/31/544413731.db2.gz	WGNCOULZVCCEDD-UHFFFAOYSA-N	1	0	362.861	1.934	20	30		FDEDRO
CC[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@@H]1CCOC1	ZINC000558661533	544494892	/nfs/dbraw/zinc/49/48/92/544494892.db2.gz	JXXLFDURJASANZ-HZPDHXFCSA-N	1	0	362.499	1.568	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)c1ccc(C#N)cc1	ZINC000559717126	544773250	/nfs/dbraw/zinc/77/32/50/544773250.db2.gz	XHXZTSGJVJMSOO-RWBZWWBESA-N	1	0	354.454	1.869	20	30		FDEDRO
C[C@@H](C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)n1cnc(C#N)n1	ZINC000560142869	544896070	/nfs/dbraw/zinc/89/60/70/544896070.db2.gz	VUUHHJUNIVJKOO-AWEZNQCLSA-N	1	0	368.441	1.500	20	30		FDEDRO
CCN1CCN(C(=O)Cc2ccc(NC(=O)N3CC(C)(C#N)C3)cc2)CC1	ZINC000560358246	544973538	/nfs/dbraw/zinc/97/35/38/544973538.db2.gz	NXMBDNXSLJJTMW-UHFFFAOYSA-N	1	0	369.469	1.771	20	30		FDEDRO
CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000288908515	258785324	/nfs/dbraw/zinc/78/53/24/258785324.db2.gz	UNGCQPSEQFEYEJ-ZDUSSCGKSA-N	1	0	362.478	1.685	20	30		FDEDRO
CC(C)CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(C#N)cn2)CC1	ZINC000294062287	258911169	/nfs/dbraw/zinc/91/11/69/258911169.db2.gz	KHBYRIZGDQZNMY-UHFFFAOYSA-N	1	0	357.458	1.766	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000299128029	258973903	/nfs/dbraw/zinc/97/39/03/258973903.db2.gz	YNYWRDJQNYXCLL-QZTJIDSGSA-N	1	0	366.469	1.893	20	30		FDEDRO
C[NH+](C)[C@H](CNc1ccc(S(N)(=O)=O)cc1C#N)Cc1ccccc1	ZINC000301171285	259022329	/nfs/dbraw/zinc/02/23/29/259022329.db2.gz	GLTMWMLMDIMNOR-INIZCTEOSA-N	1	0	358.467	1.790	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@@H]3[C@@H]3COCC[C@H]3O)C2=O)cc1	ZINC000328774675	259058004	/nfs/dbraw/zinc/05/80/04/259058004.db2.gz	HRNHHSFXGVAHPT-ZSYWTGECSA-N	1	0	355.438	1.525	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1	ZINC000331119469	259177035	/nfs/dbraw/zinc/17/70/35/259177035.db2.gz	LQMNMXSWADFVEU-DLBZAZTESA-N	1	0	355.442	1.373	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C#N	ZINC000331128386	259177322	/nfs/dbraw/zinc/17/73/22/259177322.db2.gz	IGMIDGZOTUVZPG-HZSPNIEDSA-N	1	0	350.488	1.906	20	30		FDEDRO
C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNS(=O)(=O)c2cccnc2C#N)C1	ZINC000331191378	259180803	/nfs/dbraw/zinc/18/08/03/259180803.db2.gz	VKJHMJWQIMLXRA-ZIAGYGMSSA-N	1	0	350.488	1.988	20	30		FDEDRO
Cc1cc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c(C#N)cc1N(C)C	ZINC000331248295	259183212	/nfs/dbraw/zinc/18/32/12/259183212.db2.gz	WWCVMGGRHACSPZ-HUUCEWRRSA-N	1	0	359.474	1.852	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000331795487	259220298	/nfs/dbraw/zinc/22/02/98/259220298.db2.gz	LCCYYAKRBCTUQF-ZDUSSCGKSA-N	1	0	359.405	1.373	20	30		FDEDRO
C[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(C#N)c2Br)CC1	ZINC000332273697	259254412	/nfs/dbraw/zinc/25/44/12/259254412.db2.gz	COPIZQZXYFPCQC-UHFFFAOYSA-N	1	0	365.231	1.423	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C	ZINC000332568590	259278245	/nfs/dbraw/zinc/27/82/45/259278245.db2.gz	CAFISTCSJZRLKY-KBPBESRZSA-N	1	0	354.458	1.701	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)CC2)c(Cl)c1	ZINC000333424038	259346709	/nfs/dbraw/zinc/34/67/09/259346709.db2.gz	GNPVZTVKMCQVCM-GOSISDBHSA-N	1	0	373.888	1.250	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(c2cccc(F)c2C#N)CC1)[C@H]1CCC[NH2+]C1	ZINC000333638935	259365909	/nfs/dbraw/zinc/36/59/09/259365909.db2.gz	HUGAWZGNAYVQQP-GJZGRUSLSA-N	1	0	359.449	1.917	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1	ZINC000333655828	259367429	/nfs/dbraw/zinc/36/74/29/259367429.db2.gz	KPSNALCHMDXWQT-IRXDYDNUSA-N	1	0	363.483	1.774	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1	ZINC000333667267	259368248	/nfs/dbraw/zinc/36/82/48/259368248.db2.gz	MNPNCEJKLWARNK-WMZOPIPTSA-N	1	0	363.483	1.774	20	30		FDEDRO
N#Cc1ccccc1N1CCCN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC1	ZINC000333844350	259386608	/nfs/dbraw/zinc/38/66/08/259386608.db2.gz	OWOCUBXMORTFOM-QGZVFWFLSA-N	1	0	357.458	1.158	20	30		FDEDRO
C[C@H]1C[C@@H](N2CCOCC2)CN1N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000367574172	260063104	/nfs/dbraw/zinc/06/31/04/260063104.db2.gz	HBESRBDGGPROAY-GHTZIAJQSA-N	1	0	371.529	1.632	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)Nc2cnn(CC[NH+]3CCCCC3)c2)c1	ZINC000367750008	260085447	/nfs/dbraw/zinc/08/54/47/260085447.db2.gz	PHAYTPNHPSSLLO-UHFFFAOYSA-N	1	0	366.425	1.818	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2c3ccccc3CC[C@@H]2CO)nc1	ZINC000367986827	260119516	/nfs/dbraw/zinc/11/95/16/260119516.db2.gz	CASIBBSKNRBPQA-APWZRJJASA-N	1	0	371.462	1.613	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)s2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000368541206	260199315	/nfs/dbraw/zinc/19/93/15/260199315.db2.gz	XLIKQTYCUSZFMM-HIFRSBDPSA-N	1	0	368.528	1.266	20	30		FDEDRO
CN1CC[C@H](NC(=O)NCCn2cnc(C#N)n2)[C@@H]1c1ccc(Cl)cc1	ZINC000368626775	260211897	/nfs/dbraw/zinc/21/18/97/260211897.db2.gz	VLRSKMLBWURCDV-HOCLYGCPSA-N	1	0	373.848	1.548	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(C(=O)CSc3ccc(C#N)cc3)CC2)C1	ZINC000369356861	260347426	/nfs/dbraw/zinc/34/74/26/260347426.db2.gz	ZGNVNSDWXXNQCN-KRWDZBQOSA-N	1	0	358.511	1.889	20	30		FDEDRO
CN1CCC2(CC[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)C1=O	ZINC000373157216	260987739	/nfs/dbraw/zinc/98/77/39/260987739.db2.gz	BVGNNWSLYYMUCR-KRWDZBQOSA-N	1	0	352.438	1.608	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)c1C#N	ZINC000373350598	261002994	/nfs/dbraw/zinc/00/29/94/261002994.db2.gz	OAONNBNENVKMDK-OAHLLOKOSA-N	1	0	370.453	1.517	20	30		FDEDRO
CCN(Cc1cccc(F)c1)C(=O)C[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000373403979	261007993	/nfs/dbraw/zinc/00/79/93/261007993.db2.gz	JRJIVRSYMQIION-UHFFFAOYSA-N	1	0	370.432	1.974	20	30		FDEDRO
N#Cc1cccc(CCNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1	ZINC000374194166	261091946	/nfs/dbraw/zinc/09/19/46/261091946.db2.gz	OYRKFGMUELBEQM-UHFFFAOYSA-N	1	0	356.470	1.855	20	30		FDEDRO
C[C@@H](C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)n1cnc(C#N)n1	ZINC000409651500	262131846	/nfs/dbraw/zinc/13/18/46/262131846.db2.gz	IASQAEVTJOFEAG-DOTOQJQBSA-N	1	0	352.442	1.392	20	30		FDEDRO
C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)n1cnc(C#N)n1	ZINC000409780226	262139742	/nfs/dbraw/zinc/13/97/42/262139742.db2.gz	RNFUAECKMKNWQP-INMHGKMJSA-N	1	0	352.442	1.738	20	30		FDEDRO
CC[C@H]1C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@@H]1O	ZINC000270968193	674293119	/nfs/dbraw/zinc/29/31/19/674293119.db2.gz	VVRDODBSUSQGFI-HOCLYGCPSA-N	1	0	354.372	1.876	20	30		FDEDRO
C[NH+](C)CC1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1	ZINC000539179274	490766627	/nfs/dbraw/zinc/76/66/27/490766627.db2.gz	XDMZDYFVZVCAFP-UHFFFAOYSA-N	1	0	360.462	1.248	20	30		FDEDRO
CN(C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@H]1CCC[C@H]1C#N	ZINC000602065988	491959339	/nfs/dbraw/zinc/95/93/39/491959339.db2.gz	FQOFEUMSVGQOLM-ZFWWWQNUSA-N	1	0	358.446	1.239	20	30		FDEDRO
Cc1cc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)ncc1C#N	ZINC000603118769	492015516	/nfs/dbraw/zinc/01/55/16/492015516.db2.gz	JKUAFQFSEMHKOX-OAHLLOKOSA-N	1	0	356.430	1.032	20	30		FDEDRO
Cn1cc(C#N)c(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)n1	ZINC000610876685	492265962	/nfs/dbraw/zinc/26/59/62/492265962.db2.gz	OSTGVUMPGGYBOA-RDJZCZTQSA-N	1	0	368.441	1.296	20	30		FDEDRO
C[C@@H]1CN(C(=O)Nc2ccn(CCC#N)n2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000611201395	492281151	/nfs/dbraw/zinc/28/11/51/492281151.db2.gz	CNZXQPDEOYCQAT-CVEARBPZSA-N	1	0	359.478	1.286	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2ccccc2)CC1	ZINC000024738752	519012049	/nfs/dbraw/zinc/01/20/49/519012049.db2.gz	RVXNPQCKWBZIHQ-AWEZNQCLSA-N	1	0	358.442	1.737	20	30		FDEDRO
C[C@H]1C[NH+](CC2CCN(S(=O)(=O)CCCCC#N)CC2)C[C@H](C)O1	ZINC000068910801	521758375	/nfs/dbraw/zinc/75/83/75/521758375.db2.gz	PBOJWZMAXNGTOC-HOTGVXAUSA-N	1	0	357.520	1.831	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000069741748	521946279	/nfs/dbraw/zinc/94/62/79/521946279.db2.gz	PNGUQTYKRUZTKI-FUHWJXTLSA-N	1	0	357.454	1.896	20	30		FDEDRO
C[NH+](C)Cc1cccc(NC(=O)C(=O)NCc2ccc(OCC#N)cc2)c1	ZINC000069937741	521983550	/nfs/dbraw/zinc/98/35/50/521983550.db2.gz	UGOCKCFLIDFQGM-UHFFFAOYSA-N	1	0	366.421	1.905	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)CC1	ZINC000057174427	522024405	/nfs/dbraw/zinc/02/44/05/522024405.db2.gz	QNNDQJMQIIZINV-UHFFFAOYSA-N	1	0	355.438	1.443	20	30		FDEDRO
N#Cc1cccc(NC(=O)CC[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)c1	ZINC000072602333	522330555	/nfs/dbraw/zinc/33/05/55/522330555.db2.gz	QYOMRUUWIMPLNW-SFHVURJKSA-N	1	0	370.453	1.600	20	30		FDEDRO
CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(C#N)ccc1OC	ZINC000072855670	522409178	/nfs/dbraw/zinc/40/91/78/522409178.db2.gz	UBVFBFPGNNIQMK-HNNXBMFYSA-N	1	0	358.442	1.886	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC)cc1	ZINC000047157313	522459185	/nfs/dbraw/zinc/45/91/85/522459185.db2.gz	ALXHAGXRQIRIKX-OAHLLOKOSA-N	1	0	351.472	1.365	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)CNc1ccc(C#N)cc1	ZINC000073101269	522466302	/nfs/dbraw/zinc/46/63/02/522466302.db2.gz	IRDIDJGCVUNGEK-UHFFFAOYSA-N	1	0	351.410	1.769	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)NCCOc1ccc(C#N)cc1)[NH+]1CCN(C)CC1	ZINC000073596035	522555423	/nfs/dbraw/zinc/55/54/23/522555423.db2.gz	AYHMQUVNKUKGJY-LJQANCHMSA-N	1	0	373.501	1.508	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1	ZINC000048047287	522657750	/nfs/dbraw/zinc/65/77/50/522657750.db2.gz	TUMKZBYNXQSVCV-GJZGRUSLSA-N	1	0	364.490	1.357	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCOc2ccc(C#N)cc2)CC1	ZINC000074659360	522815780	/nfs/dbraw/zinc/81/57/80/522815780.db2.gz	NPZACKVTCALHGG-KRWDZBQOSA-N	1	0	373.501	1.510	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)CC1	ZINC000050028059	522877362	/nfs/dbraw/zinc/87/73/62/522877362.db2.gz	BVGXPOIPXNDEGK-UHFFFAOYSA-N	1	0	368.481	1.115	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)CC1	ZINC000050025751	522877971	/nfs/dbraw/zinc/87/79/71/522877971.db2.gz	VSESCOPXDCDNLA-HXUWFJFHSA-N	1	0	355.482	1.349	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1	ZINC000050165315	522894421	/nfs/dbraw/zinc/89/44/21/522894421.db2.gz	BGOBPODPZLGLJF-KBPBESRZSA-N	1	0	358.442	1.742	20	30		FDEDRO
CC[C@@H](C)[N@H+](C)CCNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C	ZINC000066125819	522962730	/nfs/dbraw/zinc/96/27/30/522962730.db2.gz	FUEVNGLREFJKTM-CYBMUJFWSA-N	1	0	356.474	1.997	20	30		FDEDRO
N#Cc1ccc(CN2CCC[N@@H+](CCCN3C(=O)CNC3=O)CC2)cc1	ZINC000066411801	523051249	/nfs/dbraw/zinc/05/12/49/523051249.db2.gz	SGCNOBCOUKSWEM-UHFFFAOYSA-N	1	0	355.442	1.008	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](CCC)C1	ZINC000076266373	523056380	/nfs/dbraw/zinc/05/63/80/523056380.db2.gz	GNNFVULYOSTXIH-CQSZACIVSA-N	1	0	361.417	1.624	20	30		FDEDRO
CCN1CC[NH+](CCCCNC(=O)[C@H](C)Oc2ccccc2C#N)CC1	ZINC000076484262	523123938	/nfs/dbraw/zinc/12/39/38/523123938.db2.gz	JHBMBATTWWSUDP-KRWDZBQOSA-N	1	0	358.486	1.859	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)CC1	ZINC000076525968	523130945	/nfs/dbraw/zinc/13/09/45/523130945.db2.gz	RNVCZAJOBOTAOZ-UHFFFAOYSA-N	1	0	368.441	1.485	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1	ZINC000077038011	523239712	/nfs/dbraw/zinc/23/97/12/523239712.db2.gz	IKXCZHMHFXPPFA-UHFFFAOYSA-N	1	0	357.414	1.913	20	30		FDEDRO
CCS(=O)(=O)N(C)C1CC[NH+](CCOc2ccc(C#N)cc2)CC1	ZINC000066879712	523240767	/nfs/dbraw/zinc/24/07/67/523240767.db2.gz	WXEFIBACONKIJT-UHFFFAOYSA-N	1	0	351.472	1.683	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC(N(CC)S(C)(=O)=O)CC2)CC1	ZINC000066978740	523289073	/nfs/dbraw/zinc/28/90/73/523289073.db2.gz	FLZYVXCGQUNUQK-UHFFFAOYSA-N	1	0	372.535	1.092	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1	ZINC000077538283	523377213	/nfs/dbraw/zinc/37/72/13/523377213.db2.gz	JZAFKRUPRDEOAM-OAHLLOKOSA-N	1	0	362.405	1.109	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1cc(CC)nn1C)C(C)C	ZINC000077707083	523423937	/nfs/dbraw/zinc/42/39/37/523423937.db2.gz	BSPVCWFEZFMMOC-INIZCTEOSA-N	1	0	361.490	1.736	20	30		FDEDRO
O=C(Nc1ncn(Cc2ccccc2)n1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1	ZINC000077760913	523450953	/nfs/dbraw/zinc/45/09/53/523450953.db2.gz	OJVUUDQSXCVTRH-INIZCTEOSA-N	1	0	368.441	1.515	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N3CC[NH+](CC4CC4)CC3)CC2)nc1	ZINC000067470330	523464850	/nfs/dbraw/zinc/46/48/50/523464850.db2.gz	JCGVFFYDIDFVOA-UHFFFAOYSA-N	1	0	368.485	1.659	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1	ZINC000054203020	523591655	/nfs/dbraw/zinc/59/16/55/523591655.db2.gz	IUALMMDYORBTQL-HOTGVXAUSA-N	1	0	357.458	1.740	20	30		FDEDRO
CC[NH+]1CCN(CCCNC(=O)COc2ccc(C#N)cc2OC)CC1	ZINC000078726956	523644910	/nfs/dbraw/zinc/64/49/10/523644910.db2.gz	YFKSLPOBHJTHKJ-UHFFFAOYSA-N	1	0	360.458	1.089	20	30		FDEDRO
Cc1nc(C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)ccc1C#N	ZINC000068024062	523669925	/nfs/dbraw/zinc/66/99/25/523669925.db2.gz	ZZGGSPVUAPXRIB-HXUWFJFHSA-N	1	0	363.465	1.980	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCn1cncn1	ZINC000079155076	523714685	/nfs/dbraw/zinc/71/46/85/523714685.db2.gz	UVTFBUXDOWPEDI-UHFFFAOYSA-N	1	0	355.446	1.313	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000079491199	523756280	/nfs/dbraw/zinc/75/62/80/523756280.db2.gz	CGSSCYASMCDJKR-UHFFFAOYSA-N	1	0	373.501	1.354	20	30		FDEDRO
Cc1ccc(NC(=O)C2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC2)nc1	ZINC000079895577	523802772	/nfs/dbraw/zinc/80/27/72/523802772.db2.gz	RVJOFKIRDJSJTL-OAHLLOKOSA-N	1	0	357.458	1.801	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NC3(C#N)CC[NH+](C)CC3)cc2C1=O	ZINC000080011872	523821143	/nfs/dbraw/zinc/82/11/43/523821143.db2.gz	DOIORIDDOHKPKO-UHFFFAOYSA-N	1	0	352.394	1.186	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[N@@H+](C(C)C)CC2)c1	ZINC000068782490	523859065	/nfs/dbraw/zinc/85/90/65/523859065.db2.gz	SRRXXOMLZAXGSK-UHFFFAOYSA-N	1	0	363.483	1.154	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000081085399	523939320	/nfs/dbraw/zinc/93/93/20/523939320.db2.gz	BPKNDMBOADNPMX-SFHVURJKSA-N	1	0	351.454	1.615	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCCNc2nccc(C(F)(F)F)n2)CC1	ZINC000172384228	524214827	/nfs/dbraw/zinc/21/48/27/524214827.db2.gz	GFKQEEOHSRCLMF-UHFFFAOYSA-N	1	0	372.395	1.857	20	30		FDEDRO
C=CC1CC[NH+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000111257161	524237319	/nfs/dbraw/zinc/23/73/19/524237319.db2.gz	AWIBFOFPVANSSO-AWEZNQCLSA-N	1	0	365.499	1.279	20	30		FDEDRO
C#CCSCCNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1	ZINC000172542749	524237615	/nfs/dbraw/zinc/23/76/15/524237615.db2.gz	UYOADQNTFYKOAY-UHFFFAOYSA-N	1	0	374.510	1.250	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)NCCOc1ccc(F)cc1	ZINC000121437489	524259972	/nfs/dbraw/zinc/25/99/72/524259972.db2.gz	TXKISGOPHKJYAO-UHFFFAOYSA-N	1	0	374.420	1.062	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1cc2c(cc1OC)C[C@H](C)O2	ZINC000157414613	524269517	/nfs/dbraw/zinc/26/95/17/524269517.db2.gz	ACXRHDFPNWKOGR-AWEZNQCLSA-N	1	0	362.474	1.016	20	30		FDEDRO
C=CCOc1cccc(C[NH2+][C@@H](C)C(=O)NC[C@H]2CCS(=O)(=O)C2)c1	ZINC000111402940	524279067	/nfs/dbraw/zinc/27/90/67/524279067.db2.gz	FFDDDMHVIYOMRJ-GOEBONIOSA-N	1	0	366.483	1.280	20	30		FDEDRO
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NCCC[NH+](C)C)c1C	ZINC000121625068	524312591	/nfs/dbraw/zinc/31/25/91/524312591.db2.gz	QRGPUWKLOQAIKV-UHFFFAOYSA-N	1	0	368.441	1.367	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(c3nc(CC)ns3)CC2)CC1	ZINC000173198804	524343094	/nfs/dbraw/zinc/34/30/94/524343094.db2.gz	GAGYJQLZOJRTLN-UHFFFAOYSA-N	1	0	364.519	1.583	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)N1CC[NH+](CCCOCC(F)(F)F)CC1	ZINC000143385296	524369155	/nfs/dbraw/zinc/36/91/55/524369155.db2.gz	WIDFWWSVAOKUAF-CQSZACIVSA-N	1	0	364.412	1.334	20	30		FDEDRO
N#CCCn1ccc(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)n1	ZINC000173372289	524376582	/nfs/dbraw/zinc/37/65/82/524376582.db2.gz	PGOMRSCRIXCDIF-UHFFFAOYSA-N	1	0	353.430	1.978	20	30		FDEDRO
CC(C)c1nnnn1CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000173419274	524383926	/nfs/dbraw/zinc/38/39/26/524383926.db2.gz	YQWGYPKHLICYPU-UHFFFAOYSA-N	1	0	355.446	1.259	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2cn(-c3ccc(OC)cc3)nn2)CC1	ZINC000087116356	524413812	/nfs/dbraw/zinc/41/38/12/524413812.db2.gz	WKUVJGMXBQNILE-UHFFFAOYSA-N	1	0	370.457	1.726	20	30		FDEDRO
CC[N@H+](CCNS(=O)(=O)c1cnn(C)c1)[C@H](C)c1ccc(C#N)cc1	ZINC000173562118	524416654	/nfs/dbraw/zinc/41/66/54/524416654.db2.gz	SYMODVVIYDUMOA-CQSZACIVSA-N	1	0	361.471	1.653	20	30		FDEDRO
CC(=O)c1ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc1C	ZINC000122087291	524447678	/nfs/dbraw/zinc/44/76/78/524447678.db2.gz	ZHPXZYVBDINITG-UHFFFAOYSA-N	1	0	358.442	1.830	20	30		FDEDRO
CC[NH+]=C(NC[C@@H](O)c1cccc(F)c1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158642027	524503915	/nfs/dbraw/zinc/50/39/15/524503915.db2.gz	DGQOMKFVOLWMEJ-OAHLLOKOSA-N	1	0	371.478	1.334	20	30		FDEDRO
C[NH+]1CCN(CCOc2ccc(NC(=O)c3ccc(C#N)cn3)cc2)CC1	ZINC000174046088	524508424	/nfs/dbraw/zinc/50/84/24/524508424.db2.gz	OISUWUFGTXXRLX-UHFFFAOYSA-N	1	0	365.437	1.832	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CCc2c(C)noc2Cl)c1C#N	ZINC000089662729	524517771	/nfs/dbraw/zinc/51/77/71/524517771.db2.gz	WUTCTCXDVOHBJS-UHFFFAOYSA-N	1	0	350.810	1.955	20	30		FDEDRO
CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1	ZINC000122396465	524526273	/nfs/dbraw/zinc/52/62/73/524526273.db2.gz	ILGNJGAGIHTFMM-GFCCVEGCSA-N	1	0	352.416	1.571	20	30		FDEDRO
COc1ccc(-n2cc(CNC(=[NH2+])NCc3ccccc3OC)nn2)cc1	ZINC000151230273	524541101	/nfs/dbraw/zinc/54/11/01/524541101.db2.gz	JIFLFZDLPLQEGE-UHFFFAOYSA-N	1	0	366.425	1.889	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1	ZINC000158904347	524549635	/nfs/dbraw/zinc/54/96/35/524549635.db2.gz	WGBBGLKHGHQWDN-MRXNPFEDSA-N	1	0	350.507	1.975	20	30		FDEDRO
CC[C@@H](C)NC(=[NH2+])NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1	ZINC000122488559	524550047	/nfs/dbraw/zinc/55/00/47/524550047.db2.gz	YDFZZVXLRFZDNY-UKRRQHHQSA-N	1	0	368.503	1.347	20	30		FDEDRO
C[C@H](C(=O)N1CCc2sccc2C1)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000089942841	524553577	/nfs/dbraw/zinc/55/35/77/524553577.db2.gz	QGBZBBWUWMGUCI-GFCCVEGCSA-N	1	0	372.498	1.763	20	30		FDEDRO
Cc1oc(NC(=O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)c(C#N)c1C	ZINC000089942678	524553618	/nfs/dbraw/zinc/55/36/18/524553618.db2.gz	YZBDVJKMKCVJPK-UHFFFAOYSA-N	1	0	355.402	1.448	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCCN(c3ccn(C)n3)C2=O)cc1	ZINC000174588377	524637639	/nfs/dbraw/zinc/63/76/39/524637639.db2.gz	KXFQJCKKFFXLSW-PBHICJAKSA-N	1	0	353.426	1.996	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)n1	ZINC000091208903	524660853	/nfs/dbraw/zinc/66/08/53/524660853.db2.gz	RZEXGJSJHQYFSW-AUUYWEPGSA-N	1	0	374.489	1.901	20	30		FDEDRO
C[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1	ZINC000123075442	524674862	/nfs/dbraw/zinc/67/48/62/524674862.db2.gz	RSKUKTOEEPRGPW-AWEZNQCLSA-N	1	0	360.483	1.635	20	30		FDEDRO
CC(C)CO[C@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1	ZINC000091591858	524734556	/nfs/dbraw/zinc/73/45/56/524734556.db2.gz	ZJDAXTKMZLDOJH-ROUUACIJSA-N	1	0	350.507	1.426	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c1C#N	ZINC000174814549	524748207	/nfs/dbraw/zinc/74/82/07/524748207.db2.gz	PFNZQYAWFMDQKE-HNNXBMFYSA-N	1	0	358.442	1.374	20	30		FDEDRO
Cc1oc(NC(=O)CN2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)c(C#N)c1C	ZINC000174893290	524783738	/nfs/dbraw/zinc/78/37/38/524783738.db2.gz	DIRGJXBWUIXCHF-QGZVFWFLSA-N	1	0	373.501	1.809	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)[NH+]1CCCCCC1	ZINC000123624644	524795500	/nfs/dbraw/zinc/79/55/00/524795500.db2.gz	RBDFWABECLXZDR-MRXNPFEDSA-N	1	0	374.489	1.752	20	30		FDEDRO
C[NH+](C)CCCOC1CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1	ZINC000152185533	524804987	/nfs/dbraw/zinc/80/49/87/524804987.db2.gz	UUNMZYKAFQGWEC-UHFFFAOYSA-N	1	0	369.462	1.819	20	30		FDEDRO
[NH2+]=C(NCCC(=O)N1CCN(c2ncccn2)CC1)NC1CCCCCC1	ZINC000092277984	524862727	/nfs/dbraw/zinc/86/27/27/524862727.db2.gz	PNGFFEZRUYRMRU-UHFFFAOYSA-N	1	0	373.505	1.142	20	30		FDEDRO
COCCCNC(=O)C1CC[NH+](Cc2cnc3ccc(C#N)cn23)CC1	ZINC000092361943	524875024	/nfs/dbraw/zinc/87/50/24/524875024.db2.gz	ZLRKQIJIVQDYMW-UHFFFAOYSA-N	1	0	355.442	1.571	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1)[C@@H]1CCSC1	ZINC000160605253	524927307	/nfs/dbraw/zinc/92/73/07/524927307.db2.gz	LJMLRCGYNDPQEI-MSOLQXFVSA-N	1	0	358.511	1.833	20	30		FDEDRO
Cn1c(NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)c(C#N)c(=O)n(C)c1=O	ZINC000160802122	524973577	/nfs/dbraw/zinc/97/35/77/524973577.db2.gz	NWFMNTNQQDTUJY-FQEVSTJZSA-N	1	0	367.453	1.422	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(CN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1	ZINC000093821065	525001197	/nfs/dbraw/zinc/00/11/97/525001197.db2.gz	YQNUGGKVYPOMTO-VQIMIIECSA-N	1	0	356.470	1.716	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000152802349	525011240	/nfs/dbraw/zinc/01/12/40/525011240.db2.gz	ARXOBVVLMIFHMQ-RDJZCZTQSA-N	1	0	370.453	1.091	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1	ZINC000115543458	525014478	/nfs/dbraw/zinc/01/44/78/525014478.db2.gz	BVIUEDFVMIPTEH-OALUTQOASA-N	1	0	355.486	1.187	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC([N@H+](C)CCCO)CC1	ZINC000115549759	525016721	/nfs/dbraw/zinc/01/67/21/525016721.db2.gz	JMFPBAFWYDGQFF-MRXNPFEDSA-N	1	0	350.507	1.496	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000115739236	525055753	/nfs/dbraw/zinc/05/57/53/525055753.db2.gz	DOEJSPGWKOZOPD-LJQANCHMSA-N	1	0	361.486	1.271	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CCCOCC)C[C@H]2C)c1	ZINC000115890839	525084467	/nfs/dbraw/zinc/08/44/67/525084467.db2.gz	AHCXJDVKIWQCJL-APWZRJJASA-N	1	0	371.481	1.860	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccc1)C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000161673253	525149027	/nfs/dbraw/zinc/14/90/27/525149027.db2.gz	WALJFZYXJXRPQM-UHFFFAOYSA-N	1	0	364.449	1.878	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@H]1CCCO[C@H]1c1ccc(C)cc1	ZINC000176650504	525161180	/nfs/dbraw/zinc/16/11/80/525161180.db2.gz	GFJRFJWCBJDPKZ-UXHICEINSA-N	1	0	374.529	1.960	20	30		FDEDRO
C[NH+]=C(N[C@H]1[C@H]2CCO[C@@H]2C1(C)C)N[C@@H]1CCCN(c2ncccn2)C1	ZINC000176673176	525164777	/nfs/dbraw/zinc/16/47/77/525164777.db2.gz	DGJMKNLWDJTTBO-WCVJEAGWSA-N	1	0	358.490	1.424	20	30		FDEDRO
C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000125494192	525206334	/nfs/dbraw/zinc/20/63/34/525206334.db2.gz	XSRJZLXQXBWIRU-NSHDSACASA-N	1	0	351.414	1.726	20	30		FDEDRO
C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000125494355	525207047	/nfs/dbraw/zinc/20/70/47/525207047.db2.gz	XSRJZLXQXBWIRU-LLVKDONJSA-N	1	0	351.414	1.726	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1	ZINC000101549384	525230330	/nfs/dbraw/zinc/23/03/30/525230330.db2.gz	DVTXUZVMRUEFLI-JKSUJKDBSA-N	1	0	350.507	1.867	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1	ZINC000177184414	525252950	/nfs/dbraw/zinc/25/29/50/525252950.db2.gz	DMBVXACXRNJDNY-DZGCQCFKSA-N	1	0	363.483	1.506	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)CC1	ZINC000177272891	525268564	/nfs/dbraw/zinc/26/85/64/525268564.db2.gz	BNKVBYZVUVLHFH-UHFFFAOYSA-N	1	0	359.445	1.828	20	30		FDEDRO
CN1CC[NH+](CC2CCN(C(=O)c3c(F)cc(C#N)cc3F)CC2)CC1	ZINC000153631855	525272582	/nfs/dbraw/zinc/27/25/82/525272582.db2.gz	KVDGVUHUIRLZAN-UHFFFAOYSA-N	1	0	362.424	1.936	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1	ZINC000126165831	525279948	/nfs/dbraw/zinc/27/99/48/525279948.db2.gz	WJPZYEXZZXOIJT-YOEHRIQHSA-N	1	0	365.499	1.563	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H](C)[C@H]1CCOC1	ZINC000162646818	525291751	/nfs/dbraw/zinc/29/17/51/525291751.db2.gz	XTVYQYQCVPFQJG-HOCLYGCPSA-N	1	0	362.474	1.966	20	30		FDEDRO
C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000177447182	525292044	/nfs/dbraw/zinc/29/20/44/525292044.db2.gz	UYVIFNMHAUDWRV-RDJZCZTQSA-N	1	0	352.442	1.929	20	30		FDEDRO
C[C@@](C#N)(NC(=O)C[NH2+][C@H](CN1CCOCC1)c1ccccc1)C1CC1	ZINC000102700878	525300797	/nfs/dbraw/zinc/30/07/97/525300797.db2.gz	XLFTYWBHQCCKML-QUCCMNQESA-N	1	0	356.470	1.458	20	30		FDEDRO
C#CCSCCNC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1	ZINC000153771713	525317288	/nfs/dbraw/zinc/31/72/88/525317288.db2.gz	SFKDIPNMKMSEFS-UHFFFAOYSA-N	1	0	360.527	1.600	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CO[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1	ZINC000177613782	525320276	/nfs/dbraw/zinc/32/02/76/525320276.db2.gz	UDRRJQWOAAXIPR-UHFFFAOYSA-N	1	0	374.485	1.709	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)CC[NH+]2CCCC2)cc1	ZINC000103120333	525324523	/nfs/dbraw/zinc/32/45/23/525324523.db2.gz	FZFDYBUDITTWBD-UHFFFAOYSA-N	1	0	351.472	1.319	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000103122307	525327146	/nfs/dbraw/zinc/32/71/46/525327146.db2.gz	XZPCBPRVJBNUMO-MRXNPFEDSA-N	1	0	370.453	1.092	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2ccc(CC#N)cc2)CC1	ZINC000103568735	525370432	/nfs/dbraw/zinc/37/04/32/525370432.db2.gz	SJBVFCSDRQIXEG-UHFFFAOYSA-N	1	0	357.458	1.771	20	30		FDEDRO
N#CCOc1ccc(/C=C/C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1	ZINC000178081581	525383140	/nfs/dbraw/zinc/38/31/40/525383140.db2.gz	OIECYMIGDSWENU-PXPSOEEZSA-N	1	0	355.438	1.783	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](O)c2ccc(Cl)cc2)CC1	ZINC000104171885	525397259	/nfs/dbraw/zinc/39/72/59/525397259.db2.gz	GHTVHTIYTVFIEN-OAHLLOKOSA-N	1	0	368.865	1.899	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NCC[C@](O)(c2nccn2C)C(F)(F)F)cc1	ZINC000104162533	525397270	/nfs/dbraw/zinc/39/72/70/525397270.db2.gz	UVGFYZSXPLQLLH-HNNXBMFYSA-N	1	0	371.363	1.996	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NCc1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000104190772	525400408	/nfs/dbraw/zinc/40/04/08/525400408.db2.gz	SDLIDGOMTQANQD-CQSZACIVSA-N	1	0	368.503	1.300	20	30		FDEDRO
C[C@@H]([NH2+]C1(CNC(=O)Cn2cnc(C#N)n2)CCCC1)c1ccccc1	ZINC000178579159	525448178	/nfs/dbraw/zinc/44/81/78/525448178.db2.gz	IITDTLWQJONSFL-OAHLLOKOSA-N	1	0	352.442	1.930	20	30		FDEDRO
C=CCn1c(SC[C@@H](O)CN2CCOCC2)nnc1-c1ccccn1	ZINC000163866266	525457724	/nfs/dbraw/zinc/45/77/24/525457724.db2.gz	SOJUUWRXVACLBE-AWEZNQCLSA-N	1	0	361.471	1.311	20	30		FDEDRO
C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)Cn1cnc(C#N)n1	ZINC000178721380	525469613	/nfs/dbraw/zinc/46/96/13/525469613.db2.gz	IKKUWRWLKGVZQJ-GJZGRUSLSA-N	1	0	352.442	1.423	20	30		FDEDRO
CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(C#N)cc1)C(=O)NCC[NH+](C)C	ZINC000128005286	525492351	/nfs/dbraw/zinc/49/23/51/525492351.db2.gz	GRIHTXQARMVVHD-QAPCUYQASA-N	1	0	374.485	1.534	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCc2cccc(C#N)c2)CC1=O	ZINC000105316743	525495951	/nfs/dbraw/zinc/49/59/51/525495951.db2.gz	CMHKQSYBECWTTG-QZTJIDSGSA-N	1	0	354.454	1.507	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N(CCC)[C@H]2CC[NH2+]C2)ccc1F	ZINC000178884446	525499001	/nfs/dbraw/zinc/49/90/01/525499001.db2.gz	JAINUGONGUQWNN-AWEZNQCLSA-N	1	0	369.462	1.504	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(S(=O)(=O)CC2(C#N)CC2)CC1	ZINC000165032227	525541176	/nfs/dbraw/zinc/54/11/76/525541176.db2.gz	UYXWKYNEIBUIQJ-IYBDPMFKSA-N	1	0	354.520	1.110	20	30		FDEDRO
C=CCNc1ncc(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)s1	ZINC000128513085	525551024	/nfs/dbraw/zinc/55/10/24/525551024.db2.gz	KDEGQYVJIGPACP-GFCCVEGCSA-N	1	0	351.476	1.058	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CCCS(=O)(=O)N2CCCC2)CC1	ZINC000106035057	525553907	/nfs/dbraw/zinc/55/39/07/525553907.db2.gz	MDRKXWMSBDNLDD-UHFFFAOYSA-N	1	0	357.520	1.349	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H](C)Cn2ncc3ccccc3c2=O)CC1	ZINC000179340664	525560865	/nfs/dbraw/zinc/56/08/65/525560865.db2.gz	PJBKADHSVSGYKY-HNNXBMFYSA-N	1	0	369.469	1.735	20	30		FDEDRO
C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C[C@@H]1CCCN1c1cccnn1	ZINC000106087350	525569799	/nfs/dbraw/zinc/56/97/99/525569799.db2.gz	STKHLLPCYNFKBH-ROUUACIJSA-N	1	0	367.453	1.689	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(NC(=O)c3ccoc3)CC2)cc1	ZINC000166504537	525582596	/nfs/dbraw/zinc/58/25/96/525582596.db2.gz	GKOGMXIPCSHUQR-GOSISDBHSA-N	1	0	369.421	1.785	20	30		FDEDRO
C#CCSCCNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1	ZINC000179840372	525638215	/nfs/dbraw/zinc/63/82/15/525638215.db2.gz	SNOXQSQVANZCPS-UHFFFAOYSA-N	1	0	359.495	1.746	20	30		FDEDRO
C=CCn1c(SCC(=O)NCCC[NH+](C)C)nnc1-c1ccccn1	ZINC000179987167	525648671	/nfs/dbraw/zinc/64/86/71/525648671.db2.gz	FFROXVFTPUGBAT-UHFFFAOYSA-N	1	0	360.487	1.686	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000106291151	525689048	/nfs/dbraw/zinc/68/90/48/525689048.db2.gz	MLCFSTVQWRKLDC-UHFFFAOYSA-N	1	0	360.414	1.481	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000119402654	525734462	/nfs/dbraw/zinc/73/44/62/525734462.db2.gz	SSSIPBADZKNQDT-CQSZACIVSA-N	1	0	354.414	1.040	20	30		FDEDRO
C=C(C)C[N@@H+](CC)[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000155137546	525757512	/nfs/dbraw/zinc/75/75/12/525757512.db2.gz	BKYRPYZVUCASKR-CQSZACIVSA-N	1	0	353.488	1.279	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(c2ccccc2C#N)CC1	ZINC000106583387	525763848	/nfs/dbraw/zinc/76/38/48/525763848.db2.gz	MNYMMNVMEUEQJR-KRWDZBQOSA-N	1	0	370.501	1.026	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCCN2CCOCC2(C)C)cc1OC	ZINC000170914930	525767240	/nfs/dbraw/zinc/76/72/40/525767240.db2.gz	NPEHRTLJUCPJBA-UHFFFAOYSA-N	1	0	364.490	1.261	20	30		FDEDRO
CC(C)[C@H](CNC(=O)NCc1ccc(C#N)cc1F)[NH+]1CCN(C)CC1	ZINC000170935040	525779784	/nfs/dbraw/zinc/77/97/84/525779784.db2.gz	QXXJFSDMKVMRMA-SFHVURJKSA-N	1	0	361.465	1.769	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Br)cc(C#N)c2)C1	ZINC000155204941	525781177	/nfs/dbraw/zinc/78/11/77/525781177.db2.gz	UTBZBNCYQUEVPG-NSHDSACASA-N	1	0	372.288	1.941	20	30		FDEDRO
CSc1nc(C2CC2)cc(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1C#N	ZINC000106820996	525799757	/nfs/dbraw/zinc/79/97/57/525799757.db2.gz	ZWOUEAYKFAZKEX-CYBMUJFWSA-N	1	0	373.526	1.918	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@]2(O)CCc3ccccc32)CC1	ZINC000130915592	525806751	/nfs/dbraw/zinc/80/67/51/525806751.db2.gz	IHDOFAAUSWJUDE-LJQANCHMSA-N	1	0	360.458	1.346	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@]2(O)CCc3ccccc32)CC1	ZINC000130915806	525807232	/nfs/dbraw/zinc/80/72/32/525807232.db2.gz	IHDOFAAUSWJUDE-IBGZPJMESA-N	1	0	360.458	1.346	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NC[C@@]2(O)CCc3ccccc32)cc1OC	ZINC000130921965	525809698	/nfs/dbraw/zinc/80/96/98/525809698.db2.gz	IIDWGAMTHRERES-FQEVSTJZSA-N	1	0	355.438	1.942	20	30		FDEDRO
C[N@H+](CCCNC(=O)CNC(=O)c1ccc(C#N)cc1)Cc1ccccc1	ZINC000171107322	525849302	/nfs/dbraw/zinc/84/93/02/525849302.db2.gz	SZXCKHWFFIJDOV-UHFFFAOYSA-N	1	0	364.449	1.926	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1	ZINC000131517604	525868796	/nfs/dbraw/zinc/86/87/96/525868796.db2.gz	OSRRIBZOOBONLC-UHFFFAOYSA-N	1	0	360.462	1.217	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1CCOc1ccccc1[N+](=O)[O-]	ZINC000155509074	525887637	/nfs/dbraw/zinc/88/76/37/525887637.db2.gz	OXQSRXRCRUVQDG-CQSZACIVSA-N	1	0	368.397	1.846	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1	ZINC000107407195	525887879	/nfs/dbraw/zinc/88/78/79/525887879.db2.gz	AQLJCMWFRZYLAK-IBGZPJMESA-N	1	0	368.481	1.235	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(NC(=O)C2CCOCC2)CC1	ZINC000107686265	525909791	/nfs/dbraw/zinc/90/97/91/525909791.db2.gz	PKMGVKBKXAFFPR-INIZCTEOSA-N	1	0	363.502	1.583	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C[NH3+])C2CCCCC2)c1	ZINC000155583982	525913880	/nfs/dbraw/zinc/91/38/80/525913880.db2.gz	PYKYJSFNDWJZLB-KRWDZBQOSA-N	1	0	365.499	1.788	20	30		FDEDRO
CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1	ZINC000155620441	525924666	/nfs/dbraw/zinc/92/46/66/525924666.db2.gz	SFONOWCTEIFSOQ-IRXDYDNUSA-N	1	0	351.472	1.385	20	30		FDEDRO
C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1	ZINC000132046434	525932466	/nfs/dbraw/zinc/93/24/66/525932466.db2.gz	QKRYGOUHCYQDBN-LBPRGKRZSA-N	1	0	366.849	1.979	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1	ZINC000108389681	525962043	/nfs/dbraw/zinc/96/20/43/525962043.db2.gz	LOEXQIAVGWHAQE-DYVFJYSZSA-N	1	0	363.433	1.971	20	30		FDEDRO
CNS(=O)(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000155845140	525988707	/nfs/dbraw/zinc/98/87/07/525988707.db2.gz	FTVKERLULPRULX-CYBMUJFWSA-N	1	0	370.862	1.164	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Cc2c(C)nc3nc(SC)nn3c2C)CC1	ZINC000171566130	526038646	/nfs/dbraw/zinc/03/86/46/526038646.db2.gz	ZHAYHSWKTMOCSC-UHFFFAOYSA-N	1	0	374.514	1.772	20	30		FDEDRO
COC(=O)CC[N@@H+]1CCN(CCC(=O)Nc2sccc2C#N)[C@@H](C)C1	ZINC000182097029	526053640	/nfs/dbraw/zinc/05/36/40/526053640.db2.gz	MWDYLSDBMKXQNG-ZDUSSCGKSA-N	1	0	364.471	1.518	20	30		FDEDRO
N#Cc1cc(CN(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)ccc1F	ZINC000120477021	526077538	/nfs/dbraw/zinc/07/75/38/526077538.db2.gz	HXXZGOFDAXCIBQ-HZPDHXFCSA-N	1	0	352.431	1.865	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2cccs2)CC1	ZINC000171721504	526093738	/nfs/dbraw/zinc/09/37/38/526093738.db2.gz	OWISRMRZBPYTNM-LBPRGKRZSA-N	1	0	357.501	1.182	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)CC1	ZINC000171727213	526095209	/nfs/dbraw/zinc/09/52/09/526095209.db2.gz	BDPJLNPCEYSTIJ-IFXJQAMLSA-N	1	0	362.474	1.254	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)NCc3ccc(C#N)cc3F)C2)CC1	ZINC000171735829	526101800	/nfs/dbraw/zinc/10/18/00/526101800.db2.gz	VLLURSSIOBSOMH-QGZVFWFLSA-N	1	0	359.449	1.619	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)CC1	ZINC000171740234	526102772	/nfs/dbraw/zinc/10/27/72/526102772.db2.gz	SKNDDEBAIGOXSK-UHFFFAOYSA-N	1	0	372.469	1.931	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(C(=O)c3ccccc3O)CC2)CC1	ZINC000171738508	526103328	/nfs/dbraw/zinc/10/33/28/526103328.db2.gz	PWOURTIJGNQMCS-UHFFFAOYSA-N	1	0	372.469	1.510	20	30		FDEDRO
CN1CCN(c2ncc(C[NH2+]CCOc3ccc(C#N)cc3)cn2)CC1	ZINC000134366238	526150477	/nfs/dbraw/zinc/15/04/77/526150477.db2.gz	APRZUKFFUSMRAY-UHFFFAOYSA-N	1	0	352.442	1.269	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)CC1	ZINC000171871064	526161835	/nfs/dbraw/zinc/16/18/35/526161835.db2.gz	WBDZBORGYJHFBS-UHFFFAOYSA-N	1	0	353.426	1.351	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCn1ccnn1	ZINC000182481944	526186104	/nfs/dbraw/zinc/18/61/04/526186104.db2.gz	YDDVJXYCWBZCFD-UHFFFAOYSA-N	1	0	355.446	1.313	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000120881548	526208760	/nfs/dbraw/zinc/20/87/60/526208760.db2.gz	SAHDXFGEMYDPBK-HNNXBMFYSA-N	1	0	355.435	1.228	20	30		FDEDRO
CCn1nc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccc1=O	ZINC000110219640	526229181	/nfs/dbraw/zinc/22/91/81/526229181.db2.gz	AJUSXMTUHXJEKD-UHFFFAOYSA-N	1	0	353.426	1.339	20	30		FDEDRO
C[C@@H](C#N)CNC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000182651226	535839536	/nfs/dbraw/zinc/83/95/36/535839536.db2.gz	PQZIIDIQZOGQLZ-YOEHRIQHSA-N	1	0	357.458	1.343	20	30		FDEDRO
C#CCSCCNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO	ZINC000182678958	535844925	/nfs/dbraw/zinc/84/49/25/535844925.db2.gz	FWJSNUCBNJZVRQ-GOSISDBHSA-N	1	0	361.511	1.809	20	30		FDEDRO
C[C@@H](C#N)CNC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1	ZINC000182779588	535861724	/nfs/dbraw/zinc/86/17/24/535861724.db2.gz	VMBHNHVULMMMNY-AWEZNQCLSA-N	1	0	351.495	1.272	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](N3CC[NH+](C[C@@H]4CCOC4)CC3)C2=O)cc1	ZINC000182829870	535872075	/nfs/dbraw/zinc/87/20/75/535872075.db2.gz	MASNDNCHQKSPMU-ICSRJNTNSA-N	1	0	368.481	1.708	20	30		FDEDRO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC[C@]3(CCOC3)C2)CC1	ZINC000183186349	535938833	/nfs/dbraw/zinc/93/88/33/535938833.db2.gz	IZXQNGZPBLNDTO-LPHOPBHVSA-N	1	0	374.510	1.569	20	30		FDEDRO
COC[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C1CC1	ZINC000183450982	535983784	/nfs/dbraw/zinc/98/37/84/535983784.db2.gz	KIXGYKABFYJLOJ-HOTGVXAUSA-N	1	0	362.499	1.472	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)NCCC[NH+]1CCC(C)CC1	ZINC000184783767	536183025	/nfs/dbraw/zinc/18/30/25/536183025.db2.gz	YDOYAYKLSPKSDM-UHFFFAOYSA-N	1	0	351.472	1.967	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2cccc3c2CCN3C(=O)COC)CC1	ZINC000184784139	536183123	/nfs/dbraw/zinc/18/31/23/536183123.db2.gz	UGNSDGQIHQYBGZ-UHFFFAOYSA-N	1	0	372.469	1.994	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1C(N)=O	ZINC000184839484	536187109	/nfs/dbraw/zinc/18/71/09/536187109.db2.gz	ZJBAZNAYLMMEQG-HZPDHXFCSA-N	1	0	366.425	1.316	20	30		FDEDRO
Cn1cc(S(=O)(=O)N2CCC([NH2+][C@@H]3CCC[C@@H](C#N)C3)CC2)cn1	ZINC000185842304	536219018	/nfs/dbraw/zinc/21/90/18/536219018.db2.gz	XZKMYJPIXGCRKK-UKRRQHHQSA-N	1	0	351.476	1.245	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N(CC[NH+](C)C)Cc1ccco1	ZINC000185842542	536219057	/nfs/dbraw/zinc/21/90/57/536219057.db2.gz	HWJZFXNVEYIQMC-UHFFFAOYSA-N	1	0	363.439	1.912	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)ccc1F	ZINC000186694383	536241571	/nfs/dbraw/zinc/24/15/71/536241571.db2.gz	JHHJLLGDUCLUJX-BXUZGUMPSA-N	1	0	355.435	1.018	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N(C)CC[N@H+](C)C2CC2)ccc1F	ZINC000186743783	536242996	/nfs/dbraw/zinc/24/29/96/536242996.db2.gz	HGOJQQOZUANQIJ-UHFFFAOYSA-N	1	0	369.462	1.456	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCO[C@@]2(CCOC2)C1)C(C)C	ZINC000187128613	536255292	/nfs/dbraw/zinc/25/52/92/536255292.db2.gz	PAUHAJDBWTYVGC-MJGOQNOKSA-N	1	0	351.491	1.886	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c1	ZINC000187392143	536264649	/nfs/dbraw/zinc/26/46/49/536264649.db2.gz	ASFZTQTUPGRDOA-INIZCTEOSA-N	1	0	374.485	1.332	20	30		FDEDRO
CC[C@@]1(CO)CCC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1	ZINC000187545547	536268950	/nfs/dbraw/zinc/26/89/50/536268950.db2.gz	XJHPUUBESZNYRV-PKOBYXMFSA-N	1	0	350.507	1.163	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1	ZINC000188080441	536282148	/nfs/dbraw/zinc/28/21/48/536282148.db2.gz	PXZRGXYGWRKEJM-UHFFFAOYSA-N	1	0	372.469	1.620	20	30		FDEDRO
C[NH+]=C(NCc1ccc2c(c1)OCO2)NC[C@@H]1CCc2nnc(C)n2C1	ZINC000262799356	536903944	/nfs/dbraw/zinc/90/39/44/536903944.db2.gz	QLYWWSWMTCUDBR-AWEZNQCLSA-N	1	0	356.430	1.243	20	30		FDEDRO
C[NH+]=C(NCCc1nc(-c2ccc(Cl)cc2)no1)N1CCC(O)CC1	ZINC000262814307	536908357	/nfs/dbraw/zinc/90/83/57/536908357.db2.gz	VEPIVVYILDHJIC-UHFFFAOYSA-N	1	0	363.849	1.965	20	30		FDEDRO
C[NH+](C)CCN1CCC(NC(=O)Nc2ncccc2OCCCC#N)CC1	ZINC000188784568	536948798	/nfs/dbraw/zinc/94/87/98/536948798.db2.gz	LQFDMZDOLKZADC-UHFFFAOYSA-N	1	0	374.489	1.912	20	30		FDEDRO
CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)CCCC#N	ZINC000188959741	536977477	/nfs/dbraw/zinc/97/74/77/536977477.db2.gz	IORQQEXWKHVXRN-QGZVFWFLSA-N	1	0	351.472	1.189	20	30		FDEDRO
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1	ZINC000246631214	536993413	/nfs/dbraw/zinc/99/34/13/536993413.db2.gz	ZKUNWGNSSUSNNC-WOJBJXKFSA-N	1	0	370.497	1.874	20	30		FDEDRO
COC(=O)C1CC[NH+](CCCNC(=O)c2c(F)cc(C#N)cc2F)CC1	ZINC000267931849	537003689	/nfs/dbraw/zinc/00/36/89/537003689.db2.gz	FFQDSEJONQVNLX-UHFFFAOYSA-N	1	0	365.380	1.841	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)CN1CC[N@@H+](CC(C)(C)O)C[C@@H]1C	ZINC000189430066	537045553	/nfs/dbraw/zinc/04/55/53/537045553.db2.gz	WTMXRXQZRIICSX-HKUYNNGSSA-N	1	0	362.514	1.932	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000189475500	537053219	/nfs/dbraw/zinc/05/32/19/537053219.db2.gz	VETARDSKVFNSSR-CQSZACIVSA-N	1	0	355.442	1.885	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCN(c3cccc(OC)c3)C2)CC1	ZINC000263739523	537084171	/nfs/dbraw/zinc/08/41/71/537084171.db2.gz	DAQKNECYIZKYTF-KRWDZBQOSA-N	1	0	355.482	1.983	20	30		FDEDRO
C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)CC1(O)CCOCC1	ZINC000189777979	537094180	/nfs/dbraw/zinc/09/41/80/537094180.db2.gz	YYCZLOURLYNOLI-UHFFFAOYSA-N	1	0	369.425	1.156	20	30		FDEDRO
CCCC(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000263771452	537094379	/nfs/dbraw/zinc/09/43/79/537094379.db2.gz	SSCGLMNFDSHTDX-ROUUACIJSA-N	1	0	359.470	1.926	20	30		FDEDRO
C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000247316443	537106918	/nfs/dbraw/zinc/10/69/18/537106918.db2.gz	RVNQNYGJWZNCIX-YJBOKZPZSA-N	1	0	364.453	1.882	20	30		FDEDRO
Cc1ncc(CO)c(/C=N/Cc2cccc(C(=O)NCC[NH+](C)C)c2)c1O	ZINC000263844256	537115586	/nfs/dbraw/zinc/11/55/86/537115586.db2.gz	MJKMOQNAXYJMFV-CIAFOILYSA-N	1	0	370.453	1.498	20	30		FDEDRO
CCO[C@@H]1C[C@@](CO)([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1(C)C	ZINC000189992091	537124723	/nfs/dbraw/zinc/12/47/23/537124723.db2.gz	SHPROABOZISYQR-AEFFLSMTSA-N	1	0	366.483	1.488	20	30		FDEDRO
CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CCO[C@@H](C#N)C3)c2C1	ZINC000247573888	537135963	/nfs/dbraw/zinc/13/59/63/537135963.db2.gz	HNPFKOBKBUPMCY-HOCLYGCPSA-N	1	0	370.453	1.736	20	30		FDEDRO
CN(C)c1ccc(CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)cn1	ZINC000264106155	537137843	/nfs/dbraw/zinc/13/78/43/537137843.db2.gz	POLDVRSBNMFPGB-UHFFFAOYSA-N	1	0	362.478	1.515	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H]2CSCN2C(=O)c2ccccc2)CC1	ZINC000264346850	537142017	/nfs/dbraw/zinc/14/20/17/537142017.db2.gz	ATEZGHIRVRQLCA-QGZVFWFLSA-N	1	0	359.495	1.968	20	30		FDEDRO
C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)N3CCO[C@@H](C#N)C3)cc2)C1	ZINC000264393858	537143491	/nfs/dbraw/zinc/14/34/91/537143491.db2.gz	CPTXHORTMACGHC-YJBOKZPZSA-N	1	0	370.453	1.608	20	30		FDEDRO
C#CCN(Cc1ccc(F)cc1)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O	ZINC000264430123	537145172	/nfs/dbraw/zinc/14/51/72/537145172.db2.gz	BKZRNFNGWXRSFF-KRWDZBQOSA-N	1	0	360.433	1.310	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000264708253	537147725	/nfs/dbraw/zinc/14/77/25/537147725.db2.gz	CZDMNESUABIZGC-MRXNPFEDSA-N	1	0	368.403	1.602	20	30		FDEDRO
C=CCOc1ccc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1OC	ZINC000264938045	537150173	/nfs/dbraw/zinc/15/01/73/537150173.db2.gz	FBOPWORMRKKFRM-HNENSFHCSA-N	1	0	357.410	1.876	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N1CC[NH+](CC2CCOCC2)CC1	ZINC000265542936	537154791	/nfs/dbraw/zinc/15/47/91/537154791.db2.gz	GMFSDXROSUEZLS-UHFFFAOYSA-N	1	0	371.481	1.952	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000266396496	537200380	/nfs/dbraw/zinc/20/03/80/537200380.db2.gz	NYNHCIKSYDKOSX-CYBMUJFWSA-N	1	0	355.364	1.944	20	30		FDEDRO
O=C1NC(=O)[C@@]2(CCC[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)N1	ZINC000192672819	537229883	/nfs/dbraw/zinc/22/98/83/537229883.db2.gz	SNOJINFZZVIZHX-INIZCTEOSA-N	1	0	351.328	1.731	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1	ZINC000249414555	537235050	/nfs/dbraw/zinc/23/50/50/537235050.db2.gz	VXEMIJNGXMNDEN-JKSUJKDBSA-N	1	0	350.507	1.495	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC#N)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000249553836	537238424	/nfs/dbraw/zinc/23/84/24/537238424.db2.gz	IZRFXFUOGKMNEI-PXNSSMCTSA-N	1	0	358.486	1.316	20	30		FDEDRO
C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000193429149	537247390	/nfs/dbraw/zinc/24/73/90/537247390.db2.gz	XRZIZKPMIJYKBJ-HIFRSBDPSA-N	1	0	359.474	1.852	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(CC[NH2+]C)CC2)c1	ZINC000262050095	537253843	/nfs/dbraw/zinc/25/38/43/537253843.db2.gz	MMBCXNLEONJCCX-UHFFFAOYSA-N	1	0	365.499	1.613	20	30		FDEDRO
C[C@@H]1C[NH+](Cc2ccc(CNC(=O)Cn3cnc(C#N)n3)cc2)C[C@@H](C)O1	ZINC000193719941	537254976	/nfs/dbraw/zinc/25/49/76/537254976.db2.gz	ZMOBMWZQOJBOMO-HUUCEWRRSA-N	1	0	368.441	1.075	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1	ZINC000193732546	537255099	/nfs/dbraw/zinc/25/50/99/537255099.db2.gz	RQAJEXUIEQOKFQ-UHFFFAOYSA-N	1	0	370.453	1.886	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)cc1	ZINC000194219810	537260126	/nfs/dbraw/zinc/26/01/26/537260126.db2.gz	MMCKUIUQZJHKLN-UHFFFAOYSA-N	1	0	372.469	1.533	20	30		FDEDRO
CN(C(=O)CN1CCC[C@H]1C[N@@H+]1CCC[C@@H]1CO)C1(C#N)CCCCC1	ZINC000363639228	537267013	/nfs/dbraw/zinc/26/70/13/537267013.db2.gz	WVJZVYCAHLKAHR-ZWKOTPCHSA-N	1	0	362.518	1.592	20	30		FDEDRO
C[NH+]1CCC([C@H]2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)C2)CC1	ZINC000270152904	537286047	/nfs/dbraw/zinc/28/60/47/537286047.db2.gz	RLCMOKLAHIVYLH-SFHVURJKSA-N	1	0	354.454	1.478	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1	ZINC000282249443	537286960	/nfs/dbraw/zinc/28/69/60/537286960.db2.gz	FKRMISXHVRVWJL-INMHGKMJSA-N	1	0	350.488	1.718	20	30		FDEDRO
C#Cc1ccc(C[NH2+]Cc2cccc(S(=O)(=O)NCCOC)c2)cc1	ZINC000290298528	537317222	/nfs/dbraw/zinc/31/72/22/537317222.db2.gz	HQXZXFNEKGSLCE-UHFFFAOYSA-N	1	0	358.463	1.882	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@H](C)Cn1cccn1)C(C)C	ZINC000282934350	537347844	/nfs/dbraw/zinc/34/78/44/537347844.db2.gz	APGTYFIXZJUXQN-SJORKVTESA-N	1	0	361.490	1.203	20	30		FDEDRO
N#C[C@@H](CCc1ccccc1)C(=O)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1	ZINC000333768626	537351440	/nfs/dbraw/zinc/35/14/40/537351440.db2.gz	QXIQPGJYHVCFTL-RTBURBONSA-N	1	0	368.481	1.572	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2csc(CC)n2)CC1	ZINC000285948825	537381851	/nfs/dbraw/zinc/38/18/51/537381851.db2.gz	MJPGNFZGKGGTNX-UHFFFAOYSA-N	1	0	350.488	1.131	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)Nc1ccc(C#N)cn1	ZINC000293197019	537384762	/nfs/dbraw/zinc/38/47/62/537384762.db2.gz	WBZGFJHVWGJIPN-UHFFFAOYSA-N	1	0	367.409	1.149	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000293200694	537386459	/nfs/dbraw/zinc/38/64/59/537386459.db2.gz	AJHQGDAVBMBLOK-UHFFFAOYSA-N	1	0	352.778	1.258	20	30		FDEDRO
C=CCCCNC(=O)C(=O)NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C	ZINC000283949799	537396499	/nfs/dbraw/zinc/39/64/99/537396499.db2.gz	FJVKTMDUXFFNGI-OAHLLOKOSA-N	1	0	363.458	1.505	20	30		FDEDRO
CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C1	ZINC000271161020	537409396	/nfs/dbraw/zinc/40/93/96/537409396.db2.gz	SCSSIMYECGKUAX-HNNXBMFYSA-N	1	0	360.462	1.234	20	30		FDEDRO
C[C@H]1C[N@H+](CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[C@H]1C	ZINC000293302236	537412351	/nfs/dbraw/zinc/41/23/51/537412351.db2.gz	DWIFBYFVIIMDOA-KBPBESRZSA-N	1	0	369.425	1.795	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc2c(cc1OCC)C[C@H](C)O2	ZINC000293439456	537461166	/nfs/dbraw/zinc/46/11/66/537461166.db2.gz	RLYALZBNBCADOY-AWEZNQCLSA-N	1	0	373.453	1.419	20	30		FDEDRO
C[C@H]1[C@@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)CC[N@@H+]1Cc1ccccc1	ZINC000288208624	537466213	/nfs/dbraw/zinc/46/62/13/537466213.db2.gz	LLHPVESBDIRIKR-BBRMVZONSA-N	1	0	353.426	1.031	20	30		FDEDRO
COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1	ZINC000299230976	537493521	/nfs/dbraw/zinc/49/35/21/537493521.db2.gz	PODTXBSSCBAWRT-NVXWUHKLSA-N	1	0	372.469	1.750	20	30		FDEDRO
CO[C@H]1C[C@@H](CN(C)CC(=O)Nc2sc(C)c(C)c2C#N)[N@H+](C)C1	ZINC000284786424	537541424	/nfs/dbraw/zinc/54/14/24/537541424.db2.gz	JEZUFEOHMQTVCN-KBPBESRZSA-N	1	0	350.488	1.826	20	30		FDEDRO
N#Cc1ccsc1NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000293694881	537566029	/nfs/dbraw/zinc/56/60/29/537566029.db2.gz	LLXZNROTLOHNMM-ZDUSSCGKSA-N	1	0	362.455	1.129	20	30		FDEDRO
COCC[NH2+]CCCNC(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000275931717	537597005	/nfs/dbraw/zinc/59/70/05/537597005.db2.gz	WCJYJPNAXCLNEJ-UHFFFAOYSA-N	1	0	364.471	1.373	20	30		FDEDRO
CC[C@H](C)NC(=O)CCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000305003066	537598990	/nfs/dbraw/zinc/59/89/90/537598990.db2.gz	HWRVDIAVDWFSOU-KBPBESRZSA-N	1	0	367.494	1.172	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2CCO[C@@H]2c2cccnc2)C1	ZINC000329027611	537634060	/nfs/dbraw/zinc/63/40/60/537634060.db2.gz	KEUIQSXPPUNXSX-FGTMMUONSA-N	1	0	362.474	1.772	20	30		FDEDRO
Cc1noc([C@@H]2CCCN(C(=O)N[C@H](C)CN3CC[NH+](C)CC3)C2)n1	ZINC000329179158	537635472	/nfs/dbraw/zinc/63/54/72/537635472.db2.gz	NUSSSWSKGSMCMG-UKRRQHHQSA-N	1	0	350.467	1.107	20	30		FDEDRO
CNS(=O)(=O)N1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)CC1	ZINC000329178804	537635925	/nfs/dbraw/zinc/63/59/25/537635925.db2.gz	NFOQNCBRNAFSOW-OAHLLOKOSA-N	1	0	360.524	1.240	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC3(CCOCC3)[C@@H]2C)CC1	ZINC000329654043	537641679	/nfs/dbraw/zinc/64/16/79/537641679.db2.gz	FDLAOCLULIKSIF-ZWKOTPCHSA-N	1	0	362.518	1.570	20	30		FDEDRO
CN1CCO[C@H]2CN(C(=O)Nc3ccccc3C(=O)N3CCCC3)C[C@@H]21	ZINC000329918199	537645840	/nfs/dbraw/zinc/64/58/40/537645840.db2.gz	FWNJTQJCQKCGQJ-IRXDYDNUSA-N	1	0	358.442	1.483	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)CC1	ZINC000330231916	537652816	/nfs/dbraw/zinc/65/28/16/537652816.db2.gz	RFWLCZQXMMPMGQ-QAPCUYQASA-N	1	0	371.547	1.780	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2sc(S(N)(=O)=O)cc2C)CC1	ZINC000330662201	537659888	/nfs/dbraw/zinc/65/98/88/537659888.db2.gz	RYGTUUSBNZHJBI-UHFFFAOYSA-N	1	0	357.501	1.474	20	30		FDEDRO
Cc1cnn([C@@H]2CC[N@@H+](CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)C2)c1	ZINC000290090675	537669323	/nfs/dbraw/zinc/66/93/23/537669323.db2.gz	ZPGXGTUIHNIRLD-QZTJIDSGSA-N	1	0	358.490	1.131	20	30		FDEDRO
CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1sccc1C#N	ZINC000294564030	537705932	/nfs/dbraw/zinc/70/59/32/537705932.db2.gz	BNSKNRMTRYSKNP-UHFFFAOYSA-N	1	0	363.487	1.043	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N2CC[C@H](N3CC[NH+](CC)CC3)C2)cc1	ZINC000294573265	537707284	/nfs/dbraw/zinc/70/72/84/537707284.db2.gz	KFYRCRYCNGYGPH-IBGZPJMESA-N	1	0	355.482	1.941	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2OCCN(CCC(=O)Nc3ccc(C#N)c(Cl)c3)[C@H]2C1	ZINC000298562539	537724361	/nfs/dbraw/zinc/72/43/61/537724361.db2.gz	PPGWIGOCWUPHLC-IRXDYDNUSA-N	1	0	362.861	1.945	20	30		FDEDRO
C[NH2+]CCC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1	ZINC000285739415	537752956	/nfs/dbraw/zinc/75/29/56/537752956.db2.gz	XCDSNDHVERDKOQ-CAPFRKAQSA-N	1	0	366.487	1.828	20	30		FDEDRO
COc1cc(NC(=O)Cc2noc(C)c2C#N)ccc1OCC[NH+](C)C	ZINC000416332905	537807781	/nfs/dbraw/zinc/80/77/81/537807781.db2.gz	JELCKSAAHFUAPJ-UHFFFAOYSA-N	1	0	358.398	1.985	20	30		FDEDRO
C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCC(C)(C)CC#N)c2)CC1	ZINC000411643298	537811409	/nfs/dbraw/zinc/81/14/09/537811409.db2.gz	YURBXYDIWLJNEK-UHFFFAOYSA-N	1	0	371.485	1.429	20	30		FDEDRO
COC(=O)[C@]12C[N@H+](CCOc3ccc(C#N)cc3OC)C[C@H]1COCC2	ZINC000376008332	537818838	/nfs/dbraw/zinc/81/88/38/537818838.db2.gz	RITBKCIHAOPKDH-HNAYVOBHSA-N	1	0	360.410	1.457	20	30		FDEDRO
CC(C)N1CC[NH+](C2CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC2)CC1	ZINC000371343192	537820111	/nfs/dbraw/zinc/82/01/11/537820111.db2.gz	FTCJPNRECFWDED-HXUWFJFHSA-N	1	0	363.550	1.531	20	30		FDEDRO
N#CC1CCC(CNC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CC1	ZINC000418892486	537826520	/nfs/dbraw/zinc/82/65/20/537826520.db2.gz	OALJUSGNKDLYGF-UHFFFAOYSA-N	1	0	356.470	1.810	20	30		FDEDRO
CC[NH+](CC)CCCC1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1	ZINC000409506642	537855622	/nfs/dbraw/zinc/85/56/22/537855622.db2.gz	DDVXZWAUUVALRK-QGZVFWFLSA-N	1	0	372.535	1.290	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NCCC[N@@H+]1CCc2ccccc2C1	ZINC000409577296	537863439	/nfs/dbraw/zinc/86/34/39/537863439.db2.gz	RDINVFAFQMFHOY-UHFFFAOYSA-N	1	0	350.488	1.505	20	30		FDEDRO
N#Cc1cccc(CS(=O)(=O)N2C[C@H]([NH3+])[C@H](c3ccc(F)cc3)C2)c1	ZINC000372178622	537892946	/nfs/dbraw/zinc/89/29/46/537892946.db2.gz	LJASQTJHPMRALR-ROUUACIJSA-N	1	0	359.426	1.954	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](CO)[C@@H]2CCCOC2)c1C	ZINC000411994187	537926686	/nfs/dbraw/zinc/92/66/86/537926686.db2.gz	MXLIEGUECAYERM-MSOLQXFVSA-N	1	0	359.470	1.927	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1	ZINC000414888019	537932337	/nfs/dbraw/zinc/93/23/37/537932337.db2.gz	DTKMIAZFRQTZOV-XJKSGUPXSA-N	1	0	366.487	1.694	20	30		FDEDRO
C[C@@H](CO)[N@@H+]1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1	ZINC000368970867	537995717	/nfs/dbraw/zinc/99/57/17/537995717.db2.gz	ACENGPTWMOHWRO-ROUUACIJSA-N	1	0	358.486	1.710	20	30		FDEDRO
C[C@@H](NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccc(C#N)cc1	ZINC000417107561	538002523	/nfs/dbraw/zinc/00/25/23/538002523.db2.gz	HKUCLQIHVQTDTC-RHSMWYFYSA-N	1	0	357.458	1.648	20	30		FDEDRO
N#Cc1ccnc(C(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)c1	ZINC000412773562	538018650	/nfs/dbraw/zinc/01/86/50/538018650.db2.gz	MIKQZEKCXDLDGE-UHFFFAOYSA-N	1	0	350.422	1.710	20	30		FDEDRO
COCC[NH2+]CCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000417568344	538050065	/nfs/dbraw/zinc/05/00/65/538050065.db2.gz	BIJTXIDHYDYQTI-HNNXBMFYSA-N	1	0	363.437	1.201	20	30		FDEDRO
CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000415453153	538056055	/nfs/dbraw/zinc/05/60/55/538056055.db2.gz	YWTSZPXSPSQPHM-GFCCVEGCSA-N	1	0	353.220	1.359	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CC[N@@H+](C2CCCCCC2)C1	ZINC000369923357	538075514	/nfs/dbraw/zinc/07/55/14/538075514.db2.gz	LQZIGRQLDZBMDB-OAHLLOKOSA-N	1	0	357.520	1.684	20	30		FDEDRO
Cc1cc(S(=O)(=O)N2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)ccc1C#N	ZINC000373049488	538086564	/nfs/dbraw/zinc/08/65/64/538086564.db2.gz	NVIRIOZZENRPER-SJORKVTESA-N	1	0	363.483	1.477	20	30		FDEDRO
COC(=O)CC1([NH2+]Cc2ccc(C#N)cc2OC)CCS(=O)(=O)CC1	ZINC000439255736	538163392	/nfs/dbraw/zinc/16/33/92/538163392.db2.gz	GWMYAIWAWRDJJR-UHFFFAOYSA-N	1	0	366.439	1.167	20	30		FDEDRO
C=CCC[C@@H]1NC(=O)N(CCCC[NH+]2CCN(c3ncccn3)CC2)C1=O	ZINC000420003813	538184664	/nfs/dbraw/zinc/18/46/64/538184664.db2.gz	TZZADARZRLECFN-INIZCTEOSA-N	1	0	372.473	1.265	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C	ZINC000420053507	538199603	/nfs/dbraw/zinc/19/96/03/538199603.db2.gz	GKZMVQACOWULKG-WBVHZDCISA-N	1	0	359.470	1.473	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NCCC(=O)Nc1ccc(Br)cc1	ZINC000424095124	538234167	/nfs/dbraw/zinc/23/41/67/538234167.db2.gz	WKZFXBXPYLIHPW-CYBMUJFWSA-N	1	0	367.247	1.915	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1	ZINC000424113403	538237176	/nfs/dbraw/zinc/23/71/76/538237176.db2.gz	NAUXQUUKCCCLBT-HNNXBMFYSA-N	1	0	366.824	1.785	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC[NH2+]1	ZINC000420138789	538237405	/nfs/dbraw/zinc/23/74/05/538237405.db2.gz	XTHYKQWVHNABDA-HOCLYGCPSA-N	1	0	370.453	1.185	20	30		FDEDRO
COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)[C@H]([NH3+])CCCC#N)C2=O)c1	ZINC000424118028	538240242	/nfs/dbraw/zinc/24/02/42/538240242.db2.gz	CAQZGLMPMURQJO-SJORKVTESA-N	1	0	374.441	1.289	20	30		FDEDRO
C[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C(=O)Nc1cccc(N2CCCC2)c1	ZINC000424156757	538247731	/nfs/dbraw/zinc/24/77/31/538247731.db2.gz	OTOYERLOJDPSCB-PBHICJAKSA-N	1	0	357.458	1.751	20	30		FDEDRO
CCOC(=O)c1ccc(N2CCCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)nc1	ZINC000424194656	538251746	/nfs/dbraw/zinc/25/17/46/538251746.db2.gz	SDTDQWDAKHUHJJ-MRXNPFEDSA-N	1	0	373.457	1.318	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NCc1ccccc1Cn1cccn1	ZINC000451678646	538302054	/nfs/dbraw/zinc/30/20/54/538302054.db2.gz	FFBCNAVJLLEXDJ-MOPGFXCFSA-N	1	0	354.454	1.871	20	30		FDEDRO
C=CCn1cc(CNC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)nn1	ZINC000424905240	538356928	/nfs/dbraw/zinc/35/69/28/538356928.db2.gz	AORWFMBOZTWUDY-UHFFFAOYSA-N	1	0	354.458	1.142	20	30		FDEDRO
N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1	ZINC000442862989	538381215	/nfs/dbraw/zinc/38/12/15/538381215.db2.gz	WKJUNHNBJNCTTM-BRWVUGGUSA-N	1	0	356.474	1.564	20	30		FDEDRO
Cc1cc(C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)ncc1C#N	ZINC000457672327	538506779	/nfs/dbraw/zinc/50/67/79/538506779.db2.gz	BYFJWZYJGRTJTB-ZWKOTPCHSA-N	1	0	350.422	1.627	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC(=O)NCC[NH+]1CCCCCC1	ZINC000457809981	538518394	/nfs/dbraw/zinc/51/83/94/538518394.db2.gz	DQQMZYHEUWVVDZ-WMZOPIPTSA-N	1	0	351.491	1.466	20	30		FDEDRO
C[N@H+](CCCCO)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000472179853	538599012	/nfs/dbraw/zinc/59/90/12/538599012.db2.gz	CSFMQJFNVIENBR-OAHLLOKOSA-N	1	0	350.488	1.161	20	30		FDEDRO
COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)[C@@H](C)n2cnc(C#N)n2)cc1	ZINC000467502238	538653625	/nfs/dbraw/zinc/65/36/25/538653625.db2.gz	BXQOENFNYBKZIV-RHSMWYFYSA-N	1	0	368.441	1.673	20	30		FDEDRO
C=CC[C@H](CO)CNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1	ZINC000473414409	538777358	/nfs/dbraw/zinc/77/73/58/538777358.db2.gz	ZAMVAZWVNVSLCT-INIZCTEOSA-N	1	0	374.485	1.068	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCO[C@H]2C(C)(C)C)CC1	ZINC000561415186	545839803	/nfs/dbraw/zinc/83/98/03/545839803.db2.gz	MQQXCEGAXWQRIO-NVXWUHKLSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCC[C@H]2CCCCO2)CC1	ZINC000561453632	545857353	/nfs/dbraw/zinc/85/73/53/545857353.db2.gz	YLKHCQVQOYBXHD-QGZVFWFLSA-N	1	0	351.491	1.609	20	30		FDEDRO
Cc1nnc2n1C[C@H](C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1)CC2	ZINC000561507079	545878531	/nfs/dbraw/zinc/87/85/31/545878531.db2.gz	REWIUVIYDXEVEW-IRXDYDNUSA-N	1	0	355.442	1.245	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CC[C@@H]([NH+](CC)CC)C1	ZINC000561952852	545991181	/nfs/dbraw/zinc/99/11/81/545991181.db2.gz	UNFRRUGNVDJBEE-QGZVFWFLSA-N	1	0	359.470	1.810	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1	ZINC000561956454	545993160	/nfs/dbraw/zinc/99/31/60/545993160.db2.gz	ABNKZHKWZVPMSJ-SFHVURJKSA-N	1	0	371.481	1.954	20	30		FDEDRO
N#C[C@H](CCc1ccccc1)C(=O)NCC(=O)NCC[NH+]1CCCCCC1	ZINC000562195203	546053743	/nfs/dbraw/zinc/05/37/43/546053743.db2.gz	TZZPAVVEGNNDCU-IBGZPJMESA-N	1	0	370.497	1.867	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](c3ccncc3)C2)CC1	ZINC000562478863	546151917	/nfs/dbraw/zinc/15/19/17/546151917.db2.gz	PWHGJPNVLKVPOF-OALUTQOASA-N	1	0	355.486	1.563	20	30		FDEDRO
N#Cc1ccc(CNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1F	ZINC000562638838	546204767	/nfs/dbraw/zinc/20/47/67/546204767.db2.gz	RNAMDMLALDDTRS-FQEVSTJZSA-N	1	0	353.397	1.951	20	30		FDEDRO
CC1(C)COC[C@H]1[NH2+]CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000562738078	546249530	/nfs/dbraw/zinc/24/95/30/546249530.db2.gz	OCUXWTNHRZXFDH-ZWKOTPCHSA-N	1	0	374.460	1.549	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H](SCC)C2)CC1	ZINC000562869026	546301722	/nfs/dbraw/zinc/30/17/22/546301722.db2.gz	FATIFBADFUPLPV-INIZCTEOSA-N	1	0	353.532	1.887	20	30		FDEDRO
C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000563144045	546423329	/nfs/dbraw/zinc/42/33/29/546423329.db2.gz	OWWCNUYRNRZXIJ-LOCSVTFISA-N	1	0	373.457	1.001	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCc3ccc(C#N)cc32)C[C@H]1C	ZINC000563340514	546494436	/nfs/dbraw/zinc/49/44/36/546494436.db2.gz	CRTXAWUOXKXPLS-RHSMWYFYSA-N	1	0	354.454	1.779	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1	ZINC000563895874	546727041	/nfs/dbraw/zinc/72/70/41/546727041.db2.gz	XKVFNOCNIFCCJU-BBRMVZONSA-N	1	0	354.414	1.239	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)NCc1ccc(CC#N)cc1)[N@@H+]1CCC[C@H](C)C1	ZINC000564084258	546801767	/nfs/dbraw/zinc/80/17/67/546801767.db2.gz	SWRHPPVAFXSSNH-HOTGVXAUSA-N	1	0	356.470	1.605	20	30		FDEDRO
C[NH+](C)CCOc1cccc(CNS(=O)(=O)CCC(C)(C)C#N)c1	ZINC000564340716	546885121	/nfs/dbraw/zinc/88/51/21/546885121.db2.gz	WXFQIANNERJFHY-UHFFFAOYSA-N	1	0	353.488	1.986	20	30		FDEDRO
Cn1nccc1N1CCC[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000564865072	547073606	/nfs/dbraw/zinc/07/36/06/547073606.db2.gz	VZOSFXOZBCBMPX-INIZCTEOSA-N	1	0	373.482	1.324	20	30		FDEDRO
Cc1cnc([C@@H](C)C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)s1	ZINC000564874416	547077139	/nfs/dbraw/zinc/07/71/39/547077139.db2.gz	ZWTGYLGFPKGPGJ-NSHDSACASA-N	1	0	350.469	1.885	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)N[C@]3(CCC[NH2+]C3)C2=O)c(OC(F)F)c1	ZINC000564925842	547107611	/nfs/dbraw/zinc/10/76/11/547107611.db2.gz	HSASAXBLNJWGKN-INIZCTEOSA-N	1	0	350.325	1.334	20	30		FDEDRO
Cc1cc(=NC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)[nH]n1CCC#N	ZINC000565171194	547232030	/nfs/dbraw/zinc/23/20/30/547232030.db2.gz	MCUOPLJOYWTREF-MRXNPFEDSA-N	1	0	360.462	1.824	20	30		FDEDRO
CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@H](O)COc3ccc(CC#N)cc3)[C@@H]2C1	ZINC000565272902	547282987	/nfs/dbraw/zinc/28/29/87/547282987.db2.gz	XITIKHFQMAWJQN-MMKMLUHNSA-N	1	0	371.481	1.729	20	30		FDEDRO
C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000565346155	547314526	/nfs/dbraw/zinc/31/45/26/547314526.db2.gz	ODALDEKSCMOMML-BBWFWOEESA-N	1	0	361.490	1.863	20	30		FDEDRO
CCS(=O)(=O)c1ccc(C[N@H+](C)CCCc2[nH]nc(N)c2C#N)cc1	ZINC000565462516	547358535	/nfs/dbraw/zinc/35/85/35/547358535.db2.gz	QYZJQPZOJBXSEN-UHFFFAOYSA-N	1	0	361.471	1.722	20	30		FDEDRO
COC[C@H](C)OC[C@H](O)C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000565535937	547388877	/nfs/dbraw/zinc/38/88/77/547388877.db2.gz	PMEKRSVIOQSCCM-BHYGNILZSA-N	1	0	365.449	1.668	20	30		FDEDRO
C[C@]1(CNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CCC[NH2+]C1	ZINC000565645574	547429558	/nfs/dbraw/zinc/42/95/58/547429558.db2.gz	DGTOZQLQWMBLFU-IBGZPJMESA-N	1	0	359.449	1.919	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1	ZINC000565821950	547493731	/nfs/dbraw/zinc/49/37/31/547493731.db2.gz	HRNPGIQNQNCVFI-MELADBBJSA-N	1	0	368.416	2.393	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)cc1	ZINC000566106768	547607087	/nfs/dbraw/zinc/60/70/87/547607087.db2.gz	ZHQMRRLTJOWYQN-HZPDHXFCSA-N	1	0	371.403	1.966	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]CC1(CN2CCOCC2)CCCCC1	ZINC000566112693	547608814	/nfs/dbraw/zinc/60/88/14/547608814.db2.gz	QMUFZJQWDVKGSI-GOSISDBHSA-N	1	0	352.523	1.065	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1	ZINC000566117052	547612963	/nfs/dbraw/zinc/61/29/63/547612963.db2.gz	RUUCQFHKKLSWOK-JZXOWHBKSA-N	1	0	350.532	1.927	20	30		FDEDRO
CC(C)(C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)C1(O)CCOCC1	ZINC000566119327	547613642	/nfs/dbraw/zinc/61/36/42/547613642.db2.gz	YIPRHLVDIDRBJH-QGZVFWFLSA-N	1	0	362.470	1.650	20	30		FDEDRO
COC[C@H](C)CS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000566942784	547939070	/nfs/dbraw/zinc/93/90/70/547939070.db2.gz	OBSCCXFENRZZBV-HNNXBMFYSA-N	1	0	353.488	1.534	20	30		FDEDRO
CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000566962899	547944896	/nfs/dbraw/zinc/94/48/96/547944896.db2.gz	SDUZITKZORHNRK-CVEARBPZSA-N	1	0	357.458	1.894	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)C[C@H](C)[NH3+])cc1	ZINC000567501661	548143049	/nfs/dbraw/zinc/14/30/49/548143049.db2.gz	ASKGQYGFJFMTIX-QWHCGFSZSA-N	1	0	354.476	1.740	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1	ZINC000567650939	548195321	/nfs/dbraw/zinc/19/53/21/548195321.db2.gz	FBDZJTWBWQMKQW-JQHSSLGASA-N	1	0	354.454	1.482	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000567692486	548216290	/nfs/dbraw/zinc/21/62/90/548216290.db2.gz	VHLZOWUFWTUREQ-IRXDYDNUSA-N	1	0	359.449	1.462	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[NH2+]C1CCC2(CC1)NC(=O)NC2=O	ZINC000567706905	548222592	/nfs/dbraw/zinc/22/25/92/548222592.db2.gz	CRLQDMVGBFFXSX-NGEICVOHSA-N	1	0	373.453	1.265	20	30		FDEDRO
CNC(=O)COc1cccc(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c1	ZINC000567756740	548244754	/nfs/dbraw/zinc/24/47/54/548244754.db2.gz	KNKWNNPOPZKKOT-QGZVFWFLSA-N	1	0	369.421	1.213	20	30		FDEDRO
N#Cc1ccc(N2C[C@@H](C(=O)N3CC[NH+]4CCC3CC4)CC2=O)cc1Cl	ZINC000568592822	548596832	/nfs/dbraw/zinc/59/68/32/548596832.db2.gz	DKKUEXRRRVRWPC-AWEZNQCLSA-N	1	0	372.856	1.871	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H](CO)Cc2ccccc2)nc1	ZINC000569124287	548806313	/nfs/dbraw/zinc/80/63/13/548806313.db2.gz	ZYMCNSPQRCDPEK-QGZVFWFLSA-N	1	0	359.451	1.168	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1	ZINC000569605330	548979983	/nfs/dbraw/zinc/97/99/83/548979983.db2.gz	VSOHVQJRDPVDTN-KGLIPLIRSA-N	1	0	364.471	1.836	20	30		FDEDRO
CS(=O)(=O)Cc1cccc(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c1	ZINC000570201736	549194148	/nfs/dbraw/zinc/19/41/48/549194148.db2.gz	FJIHYZDZLVIPTB-GOSISDBHSA-N	1	0	374.462	1.632	20	30		FDEDRO
Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)NC3(C#N)CCC3)C2)nc1	ZINC000570334554	549242947	/nfs/dbraw/zinc/24/29/47/549242947.db2.gz	IMVHXVPNHAEMQN-JKSUJKDBSA-N	1	0	369.469	1.992	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1	ZINC000570357349	549250513	/nfs/dbraw/zinc/25/05/13/549250513.db2.gz	NICJKIBBOGWFCY-IKGGRYGDSA-N	1	0	351.491	1.465	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1	ZINC000570803083	549417823	/nfs/dbraw/zinc/41/78/23/549417823.db2.gz	DXRHNXINEHGOQW-MOPGFXCFSA-N	1	0	361.486	1.313	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1	ZINC000570815805	549422441	/nfs/dbraw/zinc/42/24/41/549422441.db2.gz	BHNOQLKBORODOB-ZWKOTPCHSA-N	1	0	363.483	1.606	20	30		FDEDRO
CC(=O)NCC[C@@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000570994405	549486923	/nfs/dbraw/zinc/48/69/23/549486923.db2.gz	JYPXBZGTXKSJSI-HKUYNNGSSA-N	1	0	354.454	1.902	20	30		FDEDRO
C[NH+](C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)CC1(CC#N)CC1	ZINC000571034771	549501170	/nfs/dbraw/zinc/50/11/70/549501170.db2.gz	LJQSCXBEVXAVDN-UHFFFAOYSA-N	1	0	359.492	1.215	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)C2=O)cc1	ZINC000571069568	549514990	/nfs/dbraw/zinc/51/49/90/549514990.db2.gz	BKNWUHZNNSQKDV-SJLPKXTDSA-N	1	0	367.453	1.195	20	30		FDEDRO
CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)cc1	ZINC000571277151	549588740	/nfs/dbraw/zinc/58/87/40/549588740.db2.gz	NGDNDLBWNJAAIJ-QGZVFWFLSA-N	1	0	374.462	1.686	20	30		FDEDRO
C[C@@H]1CN(C[C@@H](O)C[NH2+]CCSCc2ccccc2C#N)C[C@H](C)O1	ZINC000571396477	549628871	/nfs/dbraw/zinc/62/88/71/549628871.db2.gz	FQCLLBLZWXSJGJ-FCEWJHQRSA-N	1	0	363.527	1.851	20	30		FDEDRO
C[N@H+](CCOCc1ccc(C#N)cc1)CCN1C(=O)NC2(CCCC2)C1=O	ZINC000571478338	549660016	/nfs/dbraw/zinc/66/00/16/549660016.db2.gz	GKYFARDFOSWNCA-UHFFFAOYSA-N	1	0	370.453	1.871	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NCCCC(=O)N1CCN(c2ccccc2)CC1	ZINC000571675400	549731892	/nfs/dbraw/zinc/73/18/92/549731892.db2.gz	HLPMDGUKXDCASS-GOSISDBHSA-N	1	0	371.485	1.253	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(C#N)cc1	ZINC000571836756	549778070	/nfs/dbraw/zinc/77/80/70/549778070.db2.gz	LCCRQGVHRZUHKM-YOEHRIQHSA-N	1	0	350.488	1.870	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@H]2COc3ccccc32)CC1	ZINC000571888109	549792659	/nfs/dbraw/zinc/79/26/59/549792659.db2.gz	HZQHVRPWBJIZTP-MAUKXSAKSA-N	1	0	371.481	1.824	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1	ZINC000572506680	549930986	/nfs/dbraw/zinc/93/09/86/549930986.db2.gz	IWUMBLZYVFGUEH-UHFFFAOYSA-N	1	0	353.532	1.745	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000572579426	549945881	/nfs/dbraw/zinc/94/58/81/549945881.db2.gz	LHBXQQDNCWWOIM-HBFSDRIKSA-N	1	0	359.470	1.656	20	30		FDEDRO
C[NH+](C)CCn1cc(NS(=O)(=O)Cc2ccc(CC#N)cc2)ccc1=O	ZINC000572842138	550007234	/nfs/dbraw/zinc/00/72/34/550007234.db2.gz	SECNWTSJENZFBF-UHFFFAOYSA-N	1	0	374.466	1.418	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)C1	ZINC000573040059	550050367	/nfs/dbraw/zinc/05/03/67/550050367.db2.gz	NYIQYZCLIQESGJ-GOSISDBHSA-N	1	0	365.499	1.821	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)NCC[C@@H]3CCC[NH2+]C3)CC2)cc1	ZINC000573073665	550057488	/nfs/dbraw/zinc/05/74/88/550057488.db2.gz	NBTVHKBTINOKGD-SFHVURJKSA-N	1	0	355.486	1.775	20	30		FDEDRO
CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000573183836	550081272	/nfs/dbraw/zinc/08/12/72/550081272.db2.gz	TXXPOALCJHVBFL-UHFFFAOYSA-N	1	0	372.469	1.338	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H]2COc3ccccc3O2)nc1	ZINC000573404569	550129983	/nfs/dbraw/zinc/12/99/83/550129983.db2.gz	KMRVDXWZCKAPSO-AWEZNQCLSA-N	1	0	359.407	1.157	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1	ZINC000573743599	550203980	/nfs/dbraw/zinc/20/39/80/550203980.db2.gz	OZWDIMRDFKOXLJ-QGZVFWFLSA-N	1	0	350.488	1.325	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2	ZINC000573818208	550217110	/nfs/dbraw/zinc/21/71/10/550217110.db2.gz	OFWXTHIPLLMYHO-IBGZPJMESA-N	1	0	356.426	1.498	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000574098288	550256997	/nfs/dbraw/zinc/25/69/97/550256997.db2.gz	KYIJGBFBOGKBJW-KRWDZBQOSA-N	1	0	354.454	1.902	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1	ZINC000574105519	550258193	/nfs/dbraw/zinc/25/81/93/550258193.db2.gz	YPEVXMPSOOYJMS-FQEVSTJZSA-N	1	0	370.453	1.336	20	30		FDEDRO
COC[C@@]1(CNC(=O)N2CCCN(c3ccccc3C#N)CC2)CCC[NH2+]1	ZINC000574623562	550343674	/nfs/dbraw/zinc/34/36/74/550343674.db2.gz	NRMVAAAHCMMDRC-FQEVSTJZSA-N	1	0	371.485	1.549	20	30		FDEDRO
CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000574964633	550400483	/nfs/dbraw/zinc/40/04/83/550400483.db2.gz	OMKNRXWKJGEUCN-GFCCVEGCSA-N	1	0	354.432	1.865	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1	ZINC000575029289	550411974	/nfs/dbraw/zinc/41/19/74/550411974.db2.gz	AHZQYTNECXONMB-QZTJIDSGSA-N	1	0	365.518	1.712	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2	ZINC000575160237	550436786	/nfs/dbraw/zinc/43/67/86/550436786.db2.gz	CJEZGJZRKTWFST-NQIIRXRSSA-N	1	0	355.482	1.892	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1	ZINC000575218394	550445512	/nfs/dbraw/zinc/44/55/12/550445512.db2.gz	ROTPXASGVWRUAG-MSOLQXFVSA-N	1	0	373.501	1.756	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000575355965	550457307	/nfs/dbraw/zinc/45/73/07/550457307.db2.gz	PXZCVYWISCJAMM-UAGQMJEPSA-N	1	0	351.491	1.341	20	30		FDEDRO
CC[S@](=O)[C@H]1CCC[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000575741967	550470497	/nfs/dbraw/zinc/47/04/97/550470497.db2.gz	ZIITYYJAKMVRBM-NPGVVQFXSA-N	1	0	369.512	1.396	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1	ZINC000575972858	550496937	/nfs/dbraw/zinc/49/69/37/550496937.db2.gz	AMYJXGDHYVTPSC-MOPGFXCFSA-N	1	0	372.469	1.865	20	30		FDEDRO
C[N@H+](CCCCNC(=O)N1CCN(c2cnccc2C#N)CC1)C1CC1	ZINC000575997303	550499902	/nfs/dbraw/zinc/49/99/02/550499902.db2.gz	FCERGRUSOFYSKU-UHFFFAOYSA-N	1	0	356.474	1.659	20	30		FDEDRO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCOC[C@@H](O)C3)sc2C1	ZINC000576791063	550585997	/nfs/dbraw/zinc/58/59/97/550585997.db2.gz	WMVQOGHCLCBCKW-OLZOCXBDSA-N	1	0	363.483	1.766	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](c3cccnc3)C2)CC1	ZINC000577848448	550701464	/nfs/dbraw/zinc/70/14/64/550701464.db2.gz	YQVUKCQQUWIGQC-KRWDZBQOSA-N	1	0	356.470	1.554	20	30		FDEDRO
C[N@@H+]1CCN(CCNS(=O)(=O)CC2(C#N)CCCCC2)CC1(C)C	ZINC000578016473	550719246	/nfs/dbraw/zinc/71/92/46/550719246.db2.gz	UBELQHUJKNYQHP-UHFFFAOYSA-N	1	0	356.536	1.406	20	30		FDEDRO
C=CCC[C@@H](CO)NC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000578038316	550721842	/nfs/dbraw/zinc/72/18/42/550721842.db2.gz	QLNUGODTHCJPMM-OALUTQOASA-N	1	0	360.502	1.601	20	30		FDEDRO
CCN(Cc1ccccc1)C(=O)C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1	ZINC000578231968	550742524	/nfs/dbraw/zinc/74/25/24/550742524.db2.gz	AMNNEQBDDDCOJU-LJQANCHMSA-N	1	0	367.449	1.936	20	30		FDEDRO
Cc1ccnc([C@H]2CC[N@@H+](CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)C2)c1	ZINC000578784479	550801760	/nfs/dbraw/zinc/80/17/60/550801760.db2.gz	MHMSQOCLKNNZPV-AZUAARDMSA-N	1	0	369.513	1.872	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000579028343	550827856	/nfs/dbraw/zinc/82/78/56/550827856.db2.gz	ZYTWYZOHQAMZSU-HOTGVXAUSA-N	1	0	371.489	1.443	20	30		FDEDRO
C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000579688584	550899421	/nfs/dbraw/zinc/89/94/21/550899421.db2.gz	SBYKXVFBNWIDAC-BXUZGUMPSA-N	1	0	372.404	2.118	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000579827894	550914497	/nfs/dbraw/zinc/91/44/97/550914497.db2.gz	ZGQDSZXULJGTKL-RTBURBONSA-N	1	0	358.486	1.016	20	30		FDEDRO
CS(=O)(=O)C1CCC([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000580315868	550965958	/nfs/dbraw/zinc/96/59/58/550965958.db2.gz	NLDPDAXIVISXJA-UPTPFMHGSA-N	1	0	366.483	1.438	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N(C3CC3)[C@H]3CC[NH2+]C3)C2=O)cc1	ZINC000580420335	550980258	/nfs/dbraw/zinc/98/02/58/550980258.db2.gz	RKWHKRUZOWYSPT-ROUUACIJSA-N	1	0	367.453	1.590	20	30		FDEDRO
C[NH2+]CCCC(=O)N1CCC(NC(=O)Nc2ccc(C#N)cc2OC)CC1	ZINC000580583756	550997887	/nfs/dbraw/zinc/99/78/87/550997887.db2.gz	YFZFEQXAEFEEFK-UHFFFAOYSA-N	1	0	373.457	1.679	20	30		FDEDRO
Cn1ccnc1[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCO1	ZINC000580947354	551035668	/nfs/dbraw/zinc/03/56/68/551035668.db2.gz	AEFKHHGJOKQDFI-WBVHZDCISA-N	1	0	374.466	1.575	20	30		FDEDRO
N#CCCC1CCN(C(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CC1	ZINC000581311077	551075180	/nfs/dbraw/zinc/07/51/80/551075180.db2.gz	ZLJXXEYGRUHANW-UHFFFAOYSA-N	1	0	356.470	1.906	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCOC[C@@H]1C1CC1)C(C)C	ZINC000581360473	551080224	/nfs/dbraw/zinc/08/02/24/551080224.db2.gz	GVDPMZPJERKWGM-QZTJIDSGSA-N	1	0	363.502	1.439	20	30		FDEDRO
CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000581809596	551135617	/nfs/dbraw/zinc/13/56/17/551135617.db2.gz	OEUQWKGMDYNMKO-JFIYKMOQSA-N	1	0	366.483	1.438	20	30		FDEDRO
C[C@H]1CCC[C@@](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)(N(C)C)C1	ZINC000581849185	551140209	/nfs/dbraw/zinc/14/02/09/551140209.db2.gz	DPOUZFUKZYHXRJ-MAUKXSAKSA-N	1	0	364.515	1.827	20	30		FDEDRO
CN(C)C[C@@](C)(C#N)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000582065988	551171377	/nfs/dbraw/zinc/17/13/77/551171377.db2.gz	LTNPEKSVYYRJGC-CYBMUJFWSA-N	1	0	355.192	1.931	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1	ZINC000582221507	551192426	/nfs/dbraw/zinc/19/24/26/551192426.db2.gz	BEKGWWCOHOMXDD-AEFFLSMTSA-N	1	0	357.454	1.994	20	30		FDEDRO
C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(C#N)n2)C1	ZINC000582485657	551230774	/nfs/dbraw/zinc/23/07/74/551230774.db2.gz	YEZCHFKLSHGGNR-YOEHRIQHSA-N	1	0	363.421	1.843	20	30		FDEDRO
C=CCCCCNC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	ZINC000582626645	551249450	/nfs/dbraw/zinc/24/94/50/551249450.db2.gz	AISWDISYOWVMRH-UHFFFAOYSA-N	1	0	365.518	1.858	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)Nc2cccc(C#N)n2)c1	ZINC000582784664	551266692	/nfs/dbraw/zinc/26/66/92/551266692.db2.gz	OGYAHGDMGLZKDY-UHFFFAOYSA-N	1	0	366.425	1.566	20	30		FDEDRO
CCN1CCC([NH+]2CCC(C(=O)N3CCSC[C@H]3C#N)CC2)CC1	ZINC000582914080	551280823	/nfs/dbraw/zinc/28/08/23/551280823.db2.gz	AKXXBMQIDAMQOR-QGZVFWFLSA-N	1	0	350.532	1.650	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)cc1	ZINC000582963801	551286141	/nfs/dbraw/zinc/28/61/41/551286141.db2.gz	IVVMUKZDYXCRRS-UHFFFAOYSA-N	1	0	354.454	1.359	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)CC1	ZINC000583228813	551322125	/nfs/dbraw/zinc/32/21/25/551322125.db2.gz	KLLQWGLMIILBNU-NZSAHSFTSA-N	1	0	362.518	1.973	20	30		FDEDRO
CN(C)C(=O)c1cccc(CC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c1	ZINC000583258725	551326140	/nfs/dbraw/zinc/32/61/40/551326140.db2.gz	RMCSPLRHOHZNGG-LJQANCHMSA-N	1	0	367.449	1.832	20	30		FDEDRO
Cc1nn(C)c(C)c1CCC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1	ZINC000583376507	551342306	/nfs/dbraw/zinc/34/23/06/551342306.db2.gz	RBIOYVAOOZRIGK-UHFFFAOYSA-N	1	0	360.483	1.905	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@H](N2CCOCC2)C(F)(F)F)CC1	ZINC000583556156	551368875	/nfs/dbraw/zinc/36/88/75/551368875.db2.gz	IPXUYBWXUAUQQP-AWEZNQCLSA-N	1	0	364.412	1.199	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)cc1	ZINC000583626824	551378684	/nfs/dbraw/zinc/37/86/84/551378684.db2.gz	MPKWLVVYVURYOS-HQRMLTQVSA-N	1	0	369.421	1.713	20	30		FDEDRO
CN1CC[NH+](CC2(C)CCN(S(=O)(=O)CC3(C#N)CCC3)CC2)CC1	ZINC000584319400	551479708	/nfs/dbraw/zinc/47/97/08/551479708.db2.gz	AIFCQHJPCBPCNX-UHFFFAOYSA-N	1	0	368.547	1.360	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)Cc3c(F)cccc3C#N)CC2)C1=O	ZINC000584347287	551483995	/nfs/dbraw/zinc/48/39/95/551483995.db2.gz	XDWWLQMEHFQSGP-KRWDZBQOSA-N	1	0	358.417	1.051	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]CCC(=O)NC2CCCCC2)cc1	ZINC000584585705	551522440	/nfs/dbraw/zinc/52/24/40/551522440.db2.gz	SEDMWCWINQGNBJ-GOSISDBHSA-N	1	0	359.470	1.921	20	30		FDEDRO
C=CCSc1ccccc1NC(=O)CN1C(=O)NC2(CC[NH2+]CC2)C1=O	ZINC000584778668	551546721	/nfs/dbraw/zinc/54/67/21/551546721.db2.gz	TWUBZOLHEQYCDN-UHFFFAOYSA-N	1	0	374.466	1.577	20	30		FDEDRO
C[NH+](C)Cc1cccc(CNC(=O)C(=O)NCc2ccc(C#N)cc2F)c1	ZINC000585725003	551587789	/nfs/dbraw/zinc/58/77/89/551587789.db2.gz	IRJDHBRIBSRNBK-UHFFFAOYSA-N	1	0	368.412	1.692	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCCC[C@@H]2CCO)CC1	ZINC000585754617	551593327	/nfs/dbraw/zinc/59/33/27/551593327.db2.gz	SZEVSSBPTXAILQ-MSOLQXFVSA-N	1	0	350.507	1.306	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CCC(=O)N1CCc2ccccc21	ZINC000585816072	551610350	/nfs/dbraw/zinc/61/03/50/551610350.db2.gz	RCYDKBXRFIXXEQ-UHFFFAOYSA-N	1	0	352.442	1.707	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)c2ccc(C[NH+]3CCSCC3)cc2)n1	ZINC000586828151	551623017	/nfs/dbraw/zinc/62/30/17/551623017.db2.gz	CWFGGORIFZJTRF-UHFFFAOYSA-N	1	0	356.455	1.129	20	30		FDEDRO
C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)C1	ZINC000586858892	551626366	/nfs/dbraw/zinc/62/63/66/551626366.db2.gz	KRXRYTMJGQDEIJ-MRXNPFEDSA-N	1	0	372.444	1.504	20	30		FDEDRO
C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCc2ccc(C#N)cc2F)C1	ZINC000586860382	551626595	/nfs/dbraw/zinc/62/65/95/551626595.db2.gz	CSIMGFPAVHJXLN-WBVHZDCISA-N	1	0	358.417	1.256	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)c1cccc(C#N)c1	ZINC000587674975	551633725	/nfs/dbraw/zinc/63/37/25/551633725.db2.gz	ROROXVIXQXUVLO-DNVCBOLYSA-N	1	0	368.481	1.926	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)c1cccc(C#N)c1	ZINC000587702811	551634324	/nfs/dbraw/zinc/63/43/24/551634324.db2.gz	IXSLQJYJPMNAMD-OAHLLOKOSA-N	1	0	372.469	1.305	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)c1cccc(C#N)c1	ZINC000587719488	551634840	/nfs/dbraw/zinc/63/48/40/551634840.db2.gz	RJEAHECRMBYBCJ-YJBOKZPZSA-N	1	0	372.469	1.305	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)n(CCC#N)n1	ZINC000588728279	551680203	/nfs/dbraw/zinc/68/02/03/551680203.db2.gz	XMTCAYHFXUHEOS-HUUCEWRRSA-N	1	0	358.446	1.129	20	30		FDEDRO
COC(=O)c1ccccc1-c1ccc(C[NH2+]CCn2cnc(C#N)n2)o1	ZINC000589188193	551716250	/nfs/dbraw/zinc/71/62/50/551716250.db2.gz	ISTUCOHSRXKKAT-UHFFFAOYSA-N	1	0	351.366	1.986	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1	ZINC000590120474	551761468	/nfs/dbraw/zinc/76/14/68/551761468.db2.gz	HFXRZJFPRZVJLL-UHFFFAOYSA-N	1	0	374.408	1.888	20	30		FDEDRO
N#CC1(CC(=O)N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)CC1	ZINC000590247033	551767366	/nfs/dbraw/zinc/76/73/66/551767366.db2.gz	JROLZEWEDXDMMB-UHFFFAOYSA-N	1	0	360.502	1.911	20	30		FDEDRO
COC1CC[NH+](CCNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1	ZINC000590295136	551770978	/nfs/dbraw/zinc/77/09/78/551770978.db2.gz	NIUNAKFFEOLOLI-UHFFFAOYSA-N	1	0	356.348	1.813	20	30		FDEDRO
CC(C)C[C@H](NC(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000590397891	551780028	/nfs/dbraw/zinc/78/00/28/551780028.db2.gz	INWHRKKFMLZPRO-ROUUACIJSA-N	1	0	356.470	1.865	20	30		FDEDRO
N#Cc1cccc(F)c1CC(=O)NCC(=O)NCC[NH+]1CCCCCC1	ZINC000590470886	551786461	/nfs/dbraw/zinc/78/64/61/551786461.db2.gz	CAOXLOHYBCFOGJ-UHFFFAOYSA-N	1	0	360.433	1.348	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCc3ccc(C#N)c(F)c3)CC2)C1	ZINC000590947254	551828921	/nfs/dbraw/zinc/82/89/21/551828921.db2.gz	VYQFFFWEGJWFEG-QGZVFWFLSA-N	1	0	359.449	1.619	20	30		FDEDRO
COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC[N@H+](C)C1	ZINC000591189468	551850326	/nfs/dbraw/zinc/85/03/26/551850326.db2.gz	GMYBQEJPQWWFAU-DOTOQJQBSA-N	1	0	356.426	1.292	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N[C@@H](C[NH3+])C3CCCC3)CC2)nc1	ZINC000591350537	551864858	/nfs/dbraw/zinc/86/48/58/551864858.db2.gz	KOPIQHAVGIMYIN-KRWDZBQOSA-N	1	0	356.474	1.739	20	30		FDEDRO
N#CCN1CCC(NC(=O)NC[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)CC1	ZINC000591351376	551864939	/nfs/dbraw/zinc/86/49/39/551864939.db2.gz	UGMOXWRPEIKIKB-APWZRJJASA-N	1	0	373.476	1.806	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N[C@H](C[NH3+])C3CCCC3)CC2)nc1	ZINC000591350538	551864948	/nfs/dbraw/zinc/86/49/48/551864948.db2.gz	KOPIQHAVGIMYIN-QGZVFWFLSA-N	1	0	356.474	1.739	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@H](C[NH3+])C3CCCC3)C2=O)cc1	ZINC000591357133	551865724	/nfs/dbraw/zinc/86/57/24/551865724.db2.gz	OQOLHAZISOUDTO-QZTJIDSGSA-N	1	0	369.469	1.476	20	30		FDEDRO
N#Cc1cnc2ccccc2c1N1CCN(C(=O)NCC2C[NH2+]C2)CC1	ZINC000591360020	551865995	/nfs/dbraw/zinc/86/59/95/551865995.db2.gz	NYLDNIZHHCEKJB-UHFFFAOYSA-N	1	0	350.426	1.157	20	30		FDEDRO
C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000591360296	551866269	/nfs/dbraw/zinc/86/62/69/551866269.db2.gz	INIRQUULICMZSE-TZMCWYRMSA-N	1	0	358.446	1.253	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)C(=O)NC[C@H]3CCCC[NH2+]3)CC2)cc1	ZINC000591418379	551869146	/nfs/dbraw/zinc/86/91/46/551869146.db2.gz	ABBTVLCUOHUYFO-MRXNPFEDSA-N	1	0	370.453	1.186	20	30		FDEDRO
CC[NH+]1CCC(N2CCCN(C(=O)CNc3ccc(C#N)cc3)CC2)CC1	ZINC000591539553	551877027	/nfs/dbraw/zinc/87/70/27/551877027.db2.gz	AVDJVZATABYNKY-UHFFFAOYSA-N	1	0	369.513	1.989	20	30		FDEDRO
C=CCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1	ZINC000591611591	551884767	/nfs/dbraw/zinc/88/47/67/551884767.db2.gz	AGAFFRSLQKCZRV-ZWKOTPCHSA-N	1	0	374.533	1.574	20	30		FDEDRO
CC(=O)Nc1ccc(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1	ZINC000591734517	551904819	/nfs/dbraw/zinc/90/48/19/551904819.db2.gz	JMCZHAIOMYXRSF-UHFFFAOYSA-N	1	0	372.450	1.518	20	30		FDEDRO
C[C@@H](O)C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1	ZINC000591754063	551905832	/nfs/dbraw/zinc/90/58/32/551905832.db2.gz	YTEMZGFYRMQMDE-QAPCUYQASA-N	1	0	373.478	1.871	20	30		FDEDRO
COC(=O)c1cccc(CC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c1	ZINC000591757438	551906640	/nfs/dbraw/zinc/90/66/40/551906640.db2.gz	CHHDIUJGQKTKBF-GOSISDBHSA-N	1	0	354.406	1.917	20	30		FDEDRO
COc1ccc2c(c1)CC[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C2	ZINC000591759508	551906724	/nfs/dbraw/zinc/90/67/24/551906724.db2.gz	XHHVPOQOVRHURJ-KRWDZBQOSA-N	1	0	371.462	1.883	20	30		FDEDRO
Cc1cccnc1C(C)(C)C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000591768236	551907354	/nfs/dbraw/zinc/90/73/54/551907354.db2.gz	YOCGGOFSCVZKJP-UHFFFAOYSA-N	1	0	358.467	1.998	20	30		FDEDRO
COc1ccc2ncc(C#N)c(N3CC[NH+](CCC(=O)N(C)C)CC3)c2c1	ZINC000591922478	551916967	/nfs/dbraw/zinc/91/69/67/551916967.db2.gz	ILCUICLPGCAYIR-UHFFFAOYSA-N	1	0	367.453	1.715	20	30		FDEDRO
N#CC[C@@]1(O)CCN(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1	ZINC000591926354	551917344	/nfs/dbraw/zinc/91/73/44/551917344.db2.gz	NRMIDNLVOUKFQN-LJQANCHMSA-N	1	0	360.433	1.850	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)cc1Br	ZINC000592367832	551984900	/nfs/dbraw/zinc/98/49/00/551984900.db2.gz	ZNEIHMZBFSDDBD-NSHDSACASA-N	1	0	358.261	1.741	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](CO)CC2CCCCC2)nc1	ZINC000592431330	551994516	/nfs/dbraw/zinc/99/45/16/551994516.db2.gz	SZYXQNZKVFBNQF-INIZCTEOSA-N	1	0	351.472	1.648	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(C(=O)c3cccn3C)CC2)CC1	ZINC000592526098	552004863	/nfs/dbraw/zinc/00/48/63/552004863.db2.gz	FCGLGBYWSFRKHA-UHFFFAOYSA-N	1	0	359.474	1.143	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)CC[N@@H+]1C	ZINC000592756095	552024258	/nfs/dbraw/zinc/02/42/58/552024258.db2.gz	PQBJMLBWEKTZMR-DAXOMENPSA-N	1	0	358.467	1.738	20	30		FDEDRO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C1(c2cc(F)cc(C#N)c2)CC1	ZINC000592875437	552037784	/nfs/dbraw/zinc/03/77/84/552037784.db2.gz	YNKDOUPGTXJRCZ-ZDUSSCGKSA-N	1	0	358.417	1.307	20	30		FDEDRO
COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)[C@H]([NH3+])CCCC#N	ZINC000592957595	552048605	/nfs/dbraw/zinc/04/86/05/552048605.db2.gz	PQFRFXFLENDSCR-OAHLLOKOSA-N	1	0	373.457	1.042	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(Cn3cnnc3)CC2)cc1	ZINC000593075542	552058514	/nfs/dbraw/zinc/05/85/14/552058514.db2.gz	GSGFFWNQMBOYJC-GOSISDBHSA-N	1	0	355.442	1.496	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)[C@H](C)CCO	ZINC000593109693	552063444	/nfs/dbraw/zinc/06/34/44/552063444.db2.gz	LRZKLYPIEYOYEB-CYBMUJFWSA-N	1	0	350.463	1.654	20	30		FDEDRO
COCCOCCN1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1	ZINC000593118818	552064574	/nfs/dbraw/zinc/06/45/74/552064574.db2.gz	WEIVHBQAPHQBTI-UHFFFAOYSA-N	1	0	360.458	1.167	20	30		FDEDRO
N#Cc1cccc(CN2CCC([NH2+][C@H](C3CC3)[C@H]3CNCCO3)CC2)c1	ZINC000593324562	552089781	/nfs/dbraw/zinc/08/97/81/552089781.db2.gz	XFXXUTWEYPLVHH-NHCUHLMSSA-N	1	0	354.498	1.879	20	30		FDEDRO
COC[C@@H](CCO)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593347696	552093229	/nfs/dbraw/zinc/09/32/29/552093229.db2.gz	FOKBPQNUPQFGPS-GOSISDBHSA-N	1	0	360.458	1.219	20	30		FDEDRO
CNC(=O)C[C@@H](C)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593411045	552104673	/nfs/dbraw/zinc/10/46/73/552104673.db2.gz	DELNNXFHMCUCCX-CQSZACIVSA-N	1	0	357.458	1.346	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)Cc2ccc(Br)cc2C#N)C1	ZINC000593457022	552111182	/nfs/dbraw/zinc/11/11/82/552111182.db2.gz	DPQIBZQMKWBZEI-HNNXBMFYSA-N	1	0	366.259	1.700	20	30		FDEDRO
CN(C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@@H]1CCN(C)C1=O	ZINC000593511937	552120245	/nfs/dbraw/zinc/12/02/45/552120245.db2.gz	GZHXSAFRBFYLOI-GOSISDBHSA-N	1	0	369.469	1.395	20	30		FDEDRO
C[C@@H](O)[C@H]1CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000593514085	552120427	/nfs/dbraw/zinc/12/04/27/552120427.db2.gz	OPEJDXYDCDFYAX-QAPCUYQASA-N	1	0	356.470	1.935	20	30		FDEDRO
Cc1nc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)nc(N(C)C)n1	ZINC000593515977	552121157	/nfs/dbraw/zinc/12/11/57/552121157.db2.gz	VJDVCJGMULKEBR-UHFFFAOYSA-N	1	0	351.458	2.194	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)NC[C@@H](C)[NH+]1CCCC1	ZINC000593528620	552123679	/nfs/dbraw/zinc/12/36/79/552123679.db2.gz	PIOYXAPZISVRDZ-GFCCVEGCSA-N	1	0	351.428	1.107	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000593532070	552124930	/nfs/dbraw/zinc/12/49/30/552124930.db2.gz	TVHOXIZAMFXYKS-ZDUSSCGKSA-N	1	0	363.439	1.107	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCCC1CC[NH+](C)CC1	ZINC000593537367	552126635	/nfs/dbraw/zinc/12/66/35/552126635.db2.gz	BRUXFBGLFVLJQG-UHFFFAOYSA-N	1	0	365.455	1.355	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1	ZINC000593550676	552130696	/nfs/dbraw/zinc/13/06/96/552130696.db2.gz	GMVWGBNOZOYLIC-OCCSQVGLSA-N	1	0	365.455	1.448	20	30		FDEDRO
C[NH+](C)CCCOC1CCN(S(=O)(=O)c2ccsc2C#N)CC1	ZINC000593560770	552134414	/nfs/dbraw/zinc/13/44/14/552134414.db2.gz	HZNRILNSQXFZGI-UHFFFAOYSA-N	1	0	357.501	1.741	20	30		FDEDRO
CCN1C[C@@H](C)N(S(=O)(=O)c2ccc(C#N)cc2C(=O)OC)C[C@@H]1C	ZINC000593568971	552137937	/nfs/dbraw/zinc/13/79/37/552137937.db2.gz	LOQUDHWPWYHXPW-QWHCGFSZSA-N	1	0	365.455	1.448	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1	ZINC000593706479	552178494	/nfs/dbraw/zinc/17/84/94/552178494.db2.gz	LDNASWDHDBGELD-LNLFQRSKSA-N	1	0	372.469	1.865	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CCN(C(=O)NCc3ccc(C[NH3+])cc3F)C2)nc1	ZINC000593725854	552183583	/nfs/dbraw/zinc/18/35/83/552183583.db2.gz	ZHTIUIWOLRQJNH-INIZCTEOSA-N	1	0	369.400	1.914	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1	ZINC000593732916	552186275	/nfs/dbraw/zinc/18/62/75/552186275.db2.gz	RHEMKBUMTDVTGJ-BRWVUGGUSA-N	1	0	363.483	1.916	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C[C@H]1C[NH3+]	ZINC000593762584	552193497	/nfs/dbraw/zinc/19/34/97/552193497.db2.gz	BMCXKYGNZAUFNW-MLGOLLRUSA-N	1	0	372.404	1.711	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(F)c1	ZINC000593766017	552193766	/nfs/dbraw/zinc/19/37/66/552193766.db2.gz	BGYGMEGOBDQZFK-GRDNDAEWSA-N	1	0	374.416	1.381	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NCCC2(C[NH3+])CC2)ccc1OC(F)(F)F	ZINC000593767749	552194496	/nfs/dbraw/zinc/19/44/96/552194496.db2.gz	TWLAPHUKBJAGMW-UHFFFAOYSA-N	1	0	370.331	1.641	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)C3CN(CC(F)F)C3)CC2)c1	ZINC000593885378	552217397	/nfs/dbraw/zinc/21/73/97/552217397.db2.gz	DVYZPQAIMMLIRV-UHFFFAOYSA-N	1	0	362.424	1.836	20	30		FDEDRO
COCC[N@H+](C)C[C@H](O)CN1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000593986836	552234892	/nfs/dbraw/zinc/23/48/92/552234892.db2.gz	IGMMUGHNDUXOMZ-INIZCTEOSA-N	1	0	365.449	1.480	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)c1	ZINC000594284227	552277948	/nfs/dbraw/zinc/27/79/48/552277948.db2.gz	WYXANBGRTTZEED-QZTJIDSGSA-N	1	0	368.485	1.802	20	30		FDEDRO
CCN(CC[NH+]1CCCCCC1)C(=O)C(=O)Nc1cc(C)c(C#N)cn1	ZINC000594298508	552281303	/nfs/dbraw/zinc/28/13/03/552281303.db2.gz	TYVWHQBQCTYGSP-UHFFFAOYSA-N	1	0	357.458	1.925	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000594299706	552281622	/nfs/dbraw/zinc/28/16/22/552281622.db2.gz	NSJUEXLMMNJUII-YLJYHZDGSA-N	1	0	370.497	1.260	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1	ZINC000594426753	552308260	/nfs/dbraw/zinc/30/82/60/552308260.db2.gz	GTKPMAVCLUJQNQ-KRWDZBQOSA-N	1	0	360.433	1.911	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)Nc1cccc(N2CCCS2(=O)=O)c1	ZINC000594428083	552308576	/nfs/dbraw/zinc/30/85/76/552308576.db2.gz	LBVVUNPPPSHRCA-HNNXBMFYSA-N	1	0	350.444	1.576	20	30		FDEDRO
CC[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1cccc(S(N)(=O)=O)c1	ZINC000594435154	552309061	/nfs/dbraw/zinc/30/90/61/552309061.db2.gz	BMPMMSCETOUNBP-HUUCEWRRSA-N	1	0	352.460	1.313	20	30		FDEDRO
CN(CCN1CCN(c2ccccc2)CC1)C(=O)[C@@H]([NH3+])CCCCC#N	ZINC000594438497	552310244	/nfs/dbraw/zinc/31/02/44/552310244.db2.gz	JGWOTRABSLSOAW-IBGZPJMESA-N	1	0	357.502	1.678	20	30		FDEDRO
COc1cc(CN2CC[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)C2)cc(OC)c1	ZINC000594439549	552310689	/nfs/dbraw/zinc/31/06/89/552310689.db2.gz	RREBNJDNZVGORB-VQIMIIECSA-N	1	0	374.485	1.806	20	30		FDEDRO
N#Cc1ccc(C2(NC(=O)c3cn(C[C@H]4CCC[NH2+]4)nn3)CCC2)cc1	ZINC000594450489	552313157	/nfs/dbraw/zinc/31/31/57/552313157.db2.gz	OYWRYTYFNMLENF-MRXNPFEDSA-N	1	0	350.426	1.711	20	30		FDEDRO
CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)cc1	ZINC000594502752	552326602	/nfs/dbraw/zinc/32/66/02/552326602.db2.gz	QPZQZLDHBHGESP-HXUWFJFHSA-N	1	0	356.514	1.984	20	30		FDEDRO
N#Cc1ccc2c(c1)CN(C(=O)C(=O)Nc1ccc3c(c1)C[NH2+]CCO3)C2	ZINC000594533037	552330020	/nfs/dbraw/zinc/33/00/20/552330020.db2.gz	XBFGNZCVZGOKSO-UHFFFAOYSA-N	1	0	362.389	1.521	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1	ZINC000595075803	552445213	/nfs/dbraw/zinc/44/52/13/552445213.db2.gz	YYCKOJDQOIDLEH-AWEZNQCLSA-N	1	0	358.442	1.742	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1	ZINC000595148985	552468009	/nfs/dbraw/zinc/46/80/09/552468009.db2.gz	MJKYZUKWFJOHTE-MRXNPFEDSA-N	1	0	353.532	1.889	20	30		FDEDRO
C[C@@]1(C#N)CCN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1	ZINC000595153778	552469632	/nfs/dbraw/zinc/46/96/32/552469632.db2.gz	PAFSVPBLQXDAKC-XLIONFOSSA-N	1	0	360.502	1.863	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C1	ZINC000595194050	552485493	/nfs/dbraw/zinc/48/54/93/552485493.db2.gz	HHLYLXINBJVJOR-INIZCTEOSA-N	1	0	358.442	1.884	20	30		FDEDRO
C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)C1	ZINC000595202003	552488872	/nfs/dbraw/zinc/48/88/72/552488872.db2.gz	VTTXDFLFLNZYBR-RXVVDRJESA-N	1	0	368.481	1.524	20	30		FDEDRO
N#Cc1cccc(NC(=O)C2CCN(C(=O)NCC34CC(C3)C[NH2+]4)CC2)c1	ZINC000595272893	552509487	/nfs/dbraw/zinc/50/94/87/552509487.db2.gz	HDXLDFYNEVVWDB-UHFFFAOYSA-N	1	0	367.453	1.670	20	30		FDEDRO
N#Cc1cccnc1OC1CCC(NC(=O)N2CC3CC2(C[NH3+])C3)CC1	ZINC000595273885	552509924	/nfs/dbraw/zinc/50/99/24/552509924.db2.gz	MRCAQQMFBWQUEP-UHFFFAOYSA-N	1	0	355.442	1.776	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)c1cccc(C#N)c1	ZINC000595279393	552511169	/nfs/dbraw/zinc/51/11/69/552511169.db2.gz	KWHGOHKOVOWXMP-BEFAXECRSA-N	1	0	368.481	1.974	20	30		FDEDRO
C=CCCSCCNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000595549723	552582657	/nfs/dbraw/zinc/58/26/57/552582657.db2.gz	LQNFIRZJAXCHFE-MRXNPFEDSA-N	1	0	356.536	1.001	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(c2ccsc2C#N)CC1	ZINC000595555791	552584025	/nfs/dbraw/zinc/58/40/25/552584025.db2.gz	UPHIGEZSNWTRDG-UKRRQHHQSA-N	1	0	359.499	1.934	20	30		FDEDRO
COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](CC#N)C2)c(OC)c1	ZINC000595609930	552592028	/nfs/dbraw/zinc/59/20/28/552592028.db2.gz	QJYVLSKCYZEXRC-GDBMZVCRSA-N	1	0	362.426	1.847	20	30		FDEDRO
CNC(=O)[C@H](NC(=O)C[NH2+]C(C)(C)c1cccc(C#N)c1)c1ccccc1	ZINC000595639156	552596088	/nfs/dbraw/zinc/59/60/88/552596088.db2.gz	ICKQAKPIPLIXFS-LJQANCHMSA-N	1	0	364.449	1.986	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@@H](CO)C3CCC3)CC2)c1	ZINC000595652157	552597541	/nfs/dbraw/zinc/59/75/41/552597541.db2.gz	GISJQGJSEGSVOU-IBGZPJMESA-N	1	0	356.470	1.983	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[NH2+]C2(C(N)=O)CCOCC2)cc1Cl	ZINC000595729872	552607770	/nfs/dbraw/zinc/60/77/70/552607770.db2.gz	VPZFNLIFHHMLSD-UHFFFAOYSA-N	1	0	350.806	1.164	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@H](CCF)C3)CC2)o1	ZINC000595754410	552611625	/nfs/dbraw/zinc/61/16/25/552611625.db2.gz	BBCFITRMRGPCJW-OAHLLOKOSA-N	1	0	363.437	1.575	20	30		FDEDRO
CS(=O)(=O)N1CC[C@H](C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)C1	ZINC000595767546	552613314	/nfs/dbraw/zinc/61/33/14/552613314.db2.gz	DLALEHFXDATZLK-MRXNPFEDSA-N	1	0	363.483	1.435	20	30		FDEDRO
N#Cc1cccc(C2([NH2+]C[C@@H](O)COC[C@@H]3CCCO3)CCOCC2)c1	ZINC000595772551	552613545	/nfs/dbraw/zinc/61/35/45/552613545.db2.gz	IOVKLIFVAXQHHG-MOPGFXCFSA-N	1	0	360.454	1.710	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](NC(=O)N2CCN(c3snc(C)c3C#N)CC2)C1	ZINC000595808074	552618498	/nfs/dbraw/zinc/61/84/98/552618498.db2.gz	SFWYZAVASMTMEG-AWEZNQCLSA-N	1	0	362.503	1.639	20	30		FDEDRO
CC(C)NC(=O)[C@@H]1CCCN([C@H]2CCN(c3sccc3C#N)C2=O)C1	ZINC000595851884	552623720	/nfs/dbraw/zinc/62/37/20/552623720.db2.gz	WHOIZTQEISDDJA-CABCVRRESA-N	1	0	360.483	1.962	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@@H](N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1=O	ZINC000595862683	552625163	/nfs/dbraw/zinc/62/51/63/552625163.db2.gz	FVVLUDQRUFJZFA-JKSUJKDBSA-N	1	0	360.483	1.256	20	30		FDEDRO
C=C[C@H](CO)[NH2+][C@@H](C)C(=O)Nc1ccc(I)cc1	ZINC000595864051	552625538	/nfs/dbraw/zinc/62/55/38/552625538.db2.gz	NVJPJBPEEGMNKB-GXSJLCMTSA-N	1	0	360.195	1.755	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000595904190	552631137	/nfs/dbraw/zinc/63/11/37/552631137.db2.gz	ACZJMOKWQFGQPI-SJORKVTESA-N	1	0	350.507	1.760	20	30		FDEDRO
N#CC1(CC(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCCCC1	ZINC000595909060	552632064	/nfs/dbraw/zinc/63/20/64/552632064.db2.gz	LQGDXCJXUXJOFH-IAGOWNOFSA-N	1	0	360.502	1.957	20	30		FDEDRO
C=CC[C@@]1(C(=O)Nc2nnc(SCC(=O)OCC)s2)CCC[NH2+]1	ZINC000595931734	552635067	/nfs/dbraw/zinc/63/50/67/552635067.db2.gz	WUKLBGKDCJXNIX-AWEZNQCLSA-N	1	0	356.473	1.830	20	30		FDEDRO
N#CC1(CC(=O)N2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)CCCCC1	ZINC000595937108	552635511	/nfs/dbraw/zinc/63/55/11/552635511.db2.gz	QHXIURIYZDJFQK-IRXDYDNUSA-N	1	0	373.501	1.597	20	30		FDEDRO
CC(C)[C@@H]([NH3+])C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595971418	552640228	/nfs/dbraw/zinc/64/02/28/552640228.db2.gz	PVMOSURGRMGPQQ-GOSISDBHSA-N	1	0	352.442	1.580	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1	ZINC000595986615	552641327	/nfs/dbraw/zinc/64/13/27/552641327.db2.gz	IWRMQGCAFVGNKV-LJQANCHMSA-N	1	0	368.481	1.755	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1	ZINC000596569924	552690007	/nfs/dbraw/zinc/69/00/07/552690007.db2.gz	NVRJSTLQPDXRLG-AWEZNQCLSA-N	1	0	358.417	1.874	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c(F)c1	ZINC000596569915	552690034	/nfs/dbraw/zinc/69/00/34/552690034.db2.gz	NJAYRAKJGJMCGN-OAHLLOKOSA-N	1	0	358.417	1.874	20	30		FDEDRO
C[NH+]1CCN(c2cc(-c3noc(CC4(C#N)CCOCC4)n3)ccn2)CC1	ZINC000596603327	552693422	/nfs/dbraw/zinc/69/34/22/552693422.db2.gz	VSMUHJQJWYFJNE-UHFFFAOYSA-N	1	0	368.441	1.746	20	30		FDEDRO
N#CC1(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCCCC1	ZINC000596865724	552719488	/nfs/dbraw/zinc/71/94/88/552719488.db2.gz	GCEHNSZEBPOWRY-UHFFFAOYSA-N	1	0	361.490	1.410	20	30		FDEDRO
N#Cc1c(F)cc(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1F	ZINC000597063099	552741232	/nfs/dbraw/zinc/74/12/32/552741232.db2.gz	FNBXDMDTYKCLNE-MRXNPFEDSA-N	1	0	362.380	1.391	20	30		FDEDRO
Cn1c(-c2cc[nH]n2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000597271976	552768052	/nfs/dbraw/zinc/76/80/52/552768052.db2.gz	XSXKYRBVPDNJKR-UHFFFAOYSA-N	1	0	362.441	1.789	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1C	ZINC000597274229	552768384	/nfs/dbraw/zinc/76/83/84/552768384.db2.gz	VZILDJDSPDFNDN-SJORKVTESA-N	1	0	352.442	1.859	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCO[C@@H](C#N)C1	ZINC000597310374	552773153	/nfs/dbraw/zinc/77/31/53/552773153.db2.gz	OAKQVIZTBVREOZ-PMPSAXMXSA-N	1	0	358.446	1.119	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1	ZINC000597380620	552782237	/nfs/dbraw/zinc/78/22/37/552782237.db2.gz	MRXGGXGBWMQRLF-ZWKOTPCHSA-N	1	0	350.507	1.084	20	30		FDEDRO
N#CC1(CC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)CCOCC1	ZINC000597410264	552785517	/nfs/dbraw/zinc/78/55/17/552785517.db2.gz	QREQNDWSQKLLGQ-MOPGFXCFSA-N	1	0	371.481	1.696	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)N[C@H]3CC34CC[NH2+]CC4)CC2)cc1	ZINC000597437945	552789308	/nfs/dbraw/zinc/78/93/08/552789308.db2.gz	AXCOUXPWMHWQBY-SFHVURJKSA-N	1	0	353.470	1.528	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3CC34CC[NH2+]CC4)C2=O)cc1	ZINC000597442950	552790156	/nfs/dbraw/zinc/79/01/56/552790156.db2.gz	ZOPWTKSSPXPKNT-DLBZAZTESA-N	1	0	367.453	1.100	20	30		FDEDRO
C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1	ZINC000597573644	552806605	/nfs/dbraw/zinc/80/66/05/552806605.db2.gz	HMCSIFDZDJEQHS-OXQOHEQNSA-N	1	0	374.460	1.439	20	30		FDEDRO
C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1	ZINC000597573643	552806614	/nfs/dbraw/zinc/80/66/14/552806614.db2.gz	HMCSIFDZDJEQHS-OXJNMPFZSA-N	1	0	374.460	1.439	20	30		FDEDRO
CSc1[n-]c(=O)c(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@@H+]2C)cc1C#N	ZINC000597697677	552823644	/nfs/dbraw/zinc/82/36/44/552823644.db2.gz	YWYROFZZTNQUKK-ZIAGYGMSSA-N	1	0	362.455	1.316	20	30		FDEDRO
Cc1cc(C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)ncc1C#N	ZINC000597993152	552854008	/nfs/dbraw/zinc/85/40/08/552854008.db2.gz	ZSKRKWLTGHUGQU-GOSISDBHSA-N	1	0	350.422	1.758	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC2(C#N)CCCCC2)CC1=O	ZINC000598304332	552884514	/nfs/dbraw/zinc/88/45/14/552884514.db2.gz	KGYXBSCZZAQKNK-IAGOWNOFSA-N	1	0	360.502	1.909	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000598600808	552913604	/nfs/dbraw/zinc/91/36/04/552913604.db2.gz	KEPBPPSSVOGEST-ZFWWWQNUSA-N	1	0	353.488	1.888	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O	ZINC000598700959	552926615	/nfs/dbraw/zinc/92/66/15/552926615.db2.gz	SEEUJHDTOCKEJE-AWEZNQCLSA-N	1	0	350.463	1.522	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cc1Br	ZINC000598723399	552928222	/nfs/dbraw/zinc/92/82/22/552928222.db2.gz	GXCRPTBJGSTVPL-BXUZGUMPSA-N	1	0	370.272	1.823	20	30		FDEDRO
COCCNS(=O)(=O)c1cccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)c1	ZINC000598722119	552928267	/nfs/dbraw/zinc/92/82/67/552928267.db2.gz	ZGMPFOQWDKPHSY-OAHLLOKOSA-N	1	0	369.487	1.002	20	30		FDEDRO
CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]Cc1ccc(C2(C#N)CC2)cc1	ZINC000598991428	552955038	/nfs/dbraw/zinc/95/50/38/552955038.db2.gz	YTUSFASXXIHGKM-NRFANRHFSA-N	1	0	355.482	1.947	20	30		FDEDRO
C[NH2+]CCOCCN(C)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000599107613	552968728	/nfs/dbraw/zinc/96/87/28/552968728.db2.gz	OVDNDIHCJNSQEE-UHFFFAOYSA-N	1	0	365.377	1.434	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H](CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000599160853	552977037	/nfs/dbraw/zinc/97/70/37/552977037.db2.gz	QQVCADCQXVZJOA-KRWDZBQOSA-N	1	0	356.474	1.517	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CCN(C(=O)c2ccccc2)C1	ZINC000599165331	552977586	/nfs/dbraw/zinc/97/75/86/552977586.db2.gz	QCUHOUWVEGWPEW-SFHVURJKSA-N	1	0	356.470	1.843	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)CCOCC1	ZINC000599281743	553014328	/nfs/dbraw/zinc/01/43/28/553014328.db2.gz	KHTBFPPLXDZWCP-MSOLQXFVSA-N	1	0	357.454	1.621	20	30		FDEDRO
C[N@@H+](Cc1ccc([S@@](C)=O)cc1)C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599307057	553021858	/nfs/dbraw/zinc/02/18/58/553021858.db2.gz	LMFBOYZTBBLENE-UPCLLVRISA-N	1	0	350.484	1.927	20	30		FDEDRO
CCOC(=O)[C@@]1(COC)CCC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000599397519	553045191	/nfs/dbraw/zinc/04/51/91/553045191.db2.gz	PXJKZXPYNYLECE-LPHOPBHVSA-N	1	0	368.474	1.349	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)CCOCC1	ZINC000599401209	553046803	/nfs/dbraw/zinc/04/68/03/553046803.db2.gz	OFJOFDPEDSMSNI-ZWKOTPCHSA-N	1	0	351.491	1.102	20	30		FDEDRO
C[C@@H]1C[C@]2(CCO1)C[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)C[C@@H](C)O2	ZINC000599400810	553046906	/nfs/dbraw/zinc/04/69/06/553046906.db2.gz	YJRGMQUAGYZRBO-VXIBKDFQSA-N	1	0	352.475	1.716	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C	ZINC000599441612	553057737	/nfs/dbraw/zinc/05/77/37/553057737.db2.gz	FHUMYFIDYZEPGG-NUJGCVRESA-N	1	0	364.515	1.823	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[N@H+](CCN1CCOCC1)CC1CC1	ZINC000599474686	553068133	/nfs/dbraw/zinc/06/81/33/553068133.db2.gz	AXJQKXHJHGDCET-IBGZPJMESA-N	1	0	359.470	1.342	20	30		FDEDRO
CCOC(=O)CC1([NH2+]C[C@H](O)COc2ccccc2C#N)CCOCC1	ZINC000599481827	553069589	/nfs/dbraw/zinc/06/95/89/553069589.db2.gz	PEUBZXGCIHSTGE-INIZCTEOSA-N	1	0	362.426	1.390	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)N[C@@H]2CC[NH2+][C@H]2C)c(C#N)cn1CCOC	ZINC000599604613	553101207	/nfs/dbraw/zinc/10/12/07/553101207.db2.gz	PMKYOBKOKXDGGJ-WCQYABFASA-N	1	0	363.418	1.055	20	30		FDEDRO
COC(=O)[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)[C@H]2CCC[C@@H]21	ZINC000599660601	553115732	/nfs/dbraw/zinc/11/57/32/553115732.db2.gz	RETREPLTOMCDGL-KURKYZTESA-N	1	0	355.438	1.838	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CCN(Cc2cc3ccccc3[nH]2)CC1	ZINC000599661557	553116008	/nfs/dbraw/zinc/11/60/08/553116008.db2.gz	YJGZJMAQWXFKTB-HNNXBMFYSA-N	1	0	369.469	1.686	20	30		FDEDRO
CNS(=O)(=O)C[C@H]1CCC[N@H+](CCC(=O)Nc2sccc2C#N)C1	ZINC000599695286	553123938	/nfs/dbraw/zinc/12/39/38/553123938.db2.gz	WUSKKMXQRNDBOO-LBPRGKRZSA-N	1	0	370.500	1.210	20	30		FDEDRO
CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1ccc(C#N)nc1	ZINC000599792466	553149004	/nfs/dbraw/zinc/14/90/04/553149004.db2.gz	VMIBZNXGDQPNIH-NRFANRHFSA-N	1	0	364.449	1.591	20	30		FDEDRO
COc1cc(NC(=O)N2C[C@@H](C)N(CCO)C[C@@H]2C)c(F)cc1C#N	ZINC000599808648	553153548	/nfs/dbraw/zinc/15/35/48/553153548.db2.gz	QALFKTCHNYQMHB-NEPJUHHUSA-N	1	0	350.394	1.625	20	30		FDEDRO
N#Cc1ccc2c(c1)CN(C(=O)C(=O)Nc1ccc3c(c1)OCC[NH2+]C3)C2	ZINC000599885392	553167055	/nfs/dbraw/zinc/16/70/55/553167055.db2.gz	PWUBLBUYIQFWDA-UHFFFAOYSA-N	1	0	362.389	1.521	20	30		FDEDRO
C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C[NH2+]1	ZINC000599896668	553170218	/nfs/dbraw/zinc/17/02/18/553170218.db2.gz	QMCFTEZNGGAWBD-MWLCHTKSSA-N	1	0	352.341	1.355	20	30		FDEDRO
C[NH2+]CCOCCN(C)C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N	ZINC000599895959	553170401	/nfs/dbraw/zinc/17/04/01/553170401.db2.gz	IKXRMIAYUBNMEK-UHFFFAOYSA-N	1	0	366.487	1.550	20	30		FDEDRO
C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	ZINC000599904245	553171908	/nfs/dbraw/zinc/17/19/08/553171908.db2.gz	ZEICNLSOVBFHFK-BLLLJJGKSA-N	1	0	365.393	1.551	20	30		FDEDRO
C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C[NH2+]1	ZINC000599962392	553187089	/nfs/dbraw/zinc/18/70/89/553187089.db2.gz	OABJEWBKAQRNTK-GOEBONIOSA-N	1	0	370.453	1.185	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)c(F)cc1C#N	ZINC000599968771	553188834	/nfs/dbraw/zinc/18/88/34/553188834.db2.gz	OQRVUSRHTYAJGJ-LLVKDONJSA-N	1	0	362.405	1.491	20	30		FDEDRO
CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cc(OC)c(C#N)cc1F	ZINC000599970688	553189068	/nfs/dbraw/zinc/18/90/68/553189068.db2.gz	XHBPHBIICCUNCY-CYBMUJFWSA-N	1	0	362.405	1.635	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)c(F)cc1C#N	ZINC000599973274	553189891	/nfs/dbraw/zinc/18/98/91/553189891.db2.gz	RSXKWHMKQVKFJG-UHFFFAOYSA-N	1	0	374.416	1.731	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NCCC[N@H+](C)CC(C)C)c(F)cc1C#N	ZINC000599987192	553194264	/nfs/dbraw/zinc/19/42/64/553194264.db2.gz	FVVBUNIQYSIBGO-UHFFFAOYSA-N	1	0	364.421	1.739	20	30		FDEDRO
C[C@@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@@H]1CCC(=O)N1	ZINC000600081141	553214842	/nfs/dbraw/zinc/21/48/42/553214842.db2.gz	JSIQJGLVXZPEQT-KDOFPFPSSA-N	1	0	354.454	1.554	20	30		FDEDRO
C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)C[C@H]21	ZINC000600669137	553297112	/nfs/dbraw/zinc/29/71/12/553297112.db2.gz	HPFQJMRWYSUKNP-IMRBUKKESA-N	1	0	359.373	1.758	20	30		FDEDRO
COc1cccc([C@@H](C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)N(C)C)c1	ZINC000600715567	553306228	/nfs/dbraw/zinc/30/62/28/553306228.db2.gz	SSXRMNVOJMJXSB-PKOBYXMFSA-N	1	0	361.486	1.959	20	30		FDEDRO
CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)CC2(C#N)CC2)s1	ZINC000600720356	553306704	/nfs/dbraw/zinc/30/67/04/553306704.db2.gz	YQQUACYDPSPYAT-ZDUSSCGKSA-N	1	0	371.528	1.923	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]Cc2cccc(CN3CCCC3=O)c2)CCOCC1	ZINC000600717789	553306832	/nfs/dbraw/zinc/30/68/32/553306832.db2.gz	OAMVQTDKFFHPGT-LJQANCHMSA-N	1	0	371.481	1.970	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]CCCN(C(=O)C2CCC2)C2CC2)CCOCC1	ZINC000600722426	553307098	/nfs/dbraw/zinc/30/70/98/553307098.db2.gz	PRTRTPIHDQCGLD-GOSISDBHSA-N	1	0	363.502	1.829	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)CCOCC1	ZINC000600723232	553307472	/nfs/dbraw/zinc/30/74/72/553307472.db2.gz	WSOADSIGFNTPGY-ROUUACIJSA-N	1	0	357.454	1.448	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]CCNC(=O)CC2CCCCC2)CCOCC1	ZINC000600725802	553307925	/nfs/dbraw/zinc/30/79/25/553307925.db2.gz	YSPRPMJJAQHPEG-KRWDZBQOSA-N	1	0	351.491	1.734	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)CC1	ZINC000600730927	553308412	/nfs/dbraw/zinc/30/84/12/553308412.db2.gz	JKMIBJVXNOQBBV-GBESFXJTSA-N	1	0	368.481	1.230	20	30		FDEDRO
CCc1n[nH]c(=O)c(C[NH2+]C[C@H](O)COc2ccccc2C#N)c1CC	ZINC000600729878	553308553	/nfs/dbraw/zinc/30/85/53/553308553.db2.gz	IXFJLTPWRCVXTQ-AWEZNQCLSA-N	1	0	356.426	1.708	20	30		FDEDRO
CC(C)OCCN1CCC([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CC1	ZINC000600730465	553308557	/nfs/dbraw/zinc/30/85/57/553308557.db2.gz	OYZIUFUOPULZBL-SFHVURJKSA-N	1	0	353.507	1.537	20	30		FDEDRO
COc1ccc2c(c1)nc(C[NH2+]C[C@@H](O)COc1ccccc1C#N)n2C	ZINC000600738086	553309303	/nfs/dbraw/zinc/30/93/03/553309303.db2.gz	YBMVWHNZJXZTLK-OAHLLOKOSA-N	1	0	366.421	1.983	20	30		FDEDRO
C[C@@H]1[C@@H]([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CC(=O)N1Cc1ccccc1	ZINC000600737906	553309320	/nfs/dbraw/zinc/30/93/20/553309320.db2.gz	XEAKFSQDUFLTIL-NEWSRXKRSA-N	1	0	371.481	1.837	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCN1C[C@H]2CCCCN2C1=O	ZINC000600744337	553309881	/nfs/dbraw/zinc/30/98/81/553309881.db2.gz	MKHINSDWPDYFGS-SJORKVTESA-N	1	0	358.442	1.178	20	30		FDEDRO
C[NH2+]C1(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCC1	ZINC000600827537	553319312	/nfs/dbraw/zinc/31/93/12/553319312.db2.gz	WHXWXHMZOUUUDI-ZDUSSCGKSA-N	1	0	360.845	1.823	20	30		FDEDRO
COCCn1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cn1	ZINC000600999807	553337969	/nfs/dbraw/zinc/33/79/69/553337969.db2.gz	HDKYJEMEVFSYJR-UHFFFAOYSA-N	1	0	355.442	1.605	20	30		FDEDRO
CCC(CC)CN(CCC#N)S(=O)(=O)CCCN1CC[NH+](C)CC1	ZINC000601338594	553378964	/nfs/dbraw/zinc/37/89/64/553378964.db2.gz	ZBFCYUBLLMDADC-UHFFFAOYSA-N	1	0	358.552	1.606	20	30		FDEDRO
N#CCc1ccccc1S(=O)(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1	ZINC000601341934	553379964	/nfs/dbraw/zinc/37/99/64/553379964.db2.gz	MCSLYZORZDMHCD-AEFFLSMTSA-N	1	0	363.483	1.660	20	30		FDEDRO
CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2ccccc2CC#N)CC1	ZINC000601363137	553385850	/nfs/dbraw/zinc/38/58/50/553385850.db2.gz	LLSGJSZTTBLFJO-UHFFFAOYSA-N	1	0	365.499	1.920	20	30		FDEDRO
COCCn1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cn1	ZINC000601413191	553398741	/nfs/dbraw/zinc/39/87/41/553398741.db2.gz	URWABHSCPOIYGQ-UHFFFAOYSA-N	1	0	367.453	1.818	20	30		FDEDRO
CC1([NH+]2CCCC2)CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1	ZINC000601737960	553466285	/nfs/dbraw/zinc/46/62/85/553466285.db2.gz	GWXMGLSBNZPGOJ-UHFFFAOYSA-N	1	0	354.454	1.765	20	30		FDEDRO
CS(=O)(=O)C1(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)CCCCC1	ZINC000601959667	553496472	/nfs/dbraw/zinc/49/64/72/553496472.db2.gz	OPNNKFVUONRVNM-OAHLLOKOSA-N	1	0	358.504	1.395	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)cc(C#N)c2)CC1	ZINC000602022458	553502685	/nfs/dbraw/zinc/50/26/85/553502685.db2.gz	LGMNQQMAUQLWAD-UHFFFAOYSA-N	1	0	362.405	1.253	20	30		FDEDRO
COCC(C)(C)N1CCN(C(=O)C(=O)Nc2cc(F)cc(C#N)c2)CC1	ZINC000602045197	553507102	/nfs/dbraw/zinc/50/71/02/553507102.db2.gz	FRKXNSLUGSCYSN-UHFFFAOYSA-N	1	0	362.405	1.205	20	30		FDEDRO
CC(C)(C[NH+]1CCOCC1)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000602096369	553518381	/nfs/dbraw/zinc/51/83/81/553518381.db2.gz	NDAGCTAUYDPODD-UHFFFAOYSA-N	1	0	371.485	1.397	20	30		FDEDRO
CC(C)(C[NH+]1CCOCC1)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000602154040	553530050	/nfs/dbraw/zinc/53/00/50/553530050.db2.gz	RQOBNSWEKUOIIV-MRXNPFEDSA-N	1	0	358.442	1.291	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC(C)(C)CC#N	ZINC000602280736	553555832	/nfs/dbraw/zinc/55/58/32/553555832.db2.gz	ZCUBCZCYWJPURK-SJLPKXTDSA-N	1	0	370.497	1.927	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NCC[C@@H](O)C(F)F)CC2)c1	ZINC000602336543	553565568	/nfs/dbraw/zinc/56/55/68/553565568.db2.gz	ZVQXKEZLPFNEIY-MRXNPFEDSA-N	1	0	366.412	1.838	20	30		FDEDRO
CO[C@]1(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCOC1	ZINC000602445535	553583277	/nfs/dbraw/zinc/58/32/77/553583277.db2.gz	WXSPAXLNYQPVPA-SFHVURJKSA-N	1	0	358.398	1.734	20	30		FDEDRO
CCCNC(=O)CN1CCC([NH2+][C@@H](C)CC2(C#N)CCOCC2)CC1	ZINC000602508326	553595572	/nfs/dbraw/zinc/59/55/72/553595572.db2.gz	BCKHDLVDDDSNPV-INIZCTEOSA-N	1	0	350.507	1.666	20	30		FDEDRO
C[C@@H](CCC#N)C[NH2+]Cc1ccccc1CS(=O)(=O)N1CCOCC1	ZINC000602512631	553596491	/nfs/dbraw/zinc/59/64/91/553596491.db2.gz	WTHBADXRSSXBFA-INIZCTEOSA-N	1	0	365.499	1.878	20	30		FDEDRO
Cc1cc(N2CCC[C@H](N3CC[NH+](C[C@H](C)CCC#N)CC3)C2=O)n(C)n1	ZINC000602598591	553609928	/nfs/dbraw/zinc/60/99/28/553609928.db2.gz	XIJXVQFXARTVTH-AEFFLSMTSA-N	1	0	372.517	1.781	20	30		FDEDRO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(S(=O)(=O)CCO)cc1	ZINC000602629454	553614566	/nfs/dbraw/zinc/61/45/66/553614566.db2.gz	HKVOXJYPUXVNPZ-HNNXBMFYSA-N	1	0	366.483	1.641	20	30		FDEDRO
N#Cc1cccc(NC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)c1	ZINC000602768001	553634385	/nfs/dbraw/zinc/63/43/85/553634385.db2.gz	PWZPSOWCXNQYHI-GOSISDBHSA-N	1	0	357.458	1.476	20	30		FDEDRO
C[C@](O)(C[C@H](O)CN1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C1CC1	ZINC000602799123	553640858	/nfs/dbraw/zinc/64/08/58/553640858.db2.gz	BABBBJMYYJJHQN-ZCNNSNEGSA-N	1	0	361.461	1.920	20	30		FDEDRO
Cc1cc2ncn(C[C@H](O)C[N@@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)c2cc1C	ZINC000602858598	553652580	/nfs/dbraw/zinc/65/25/80/553652580.db2.gz	TXACLVYWSJWLRE-FGTMMUONSA-N	1	0	355.486	1.932	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](n3ccnn3)CC2)cc1	ZINC000602889038	553661050	/nfs/dbraw/zinc/66/10/50/553661050.db2.gz	QBIZIJPHRUQECJ-MSOLQXFVSA-N	1	0	355.442	1.811	20	30		FDEDRO
N#Cc1ccc(C2CC[NH+](CCN3C(=O)NC4(CCCC4)C3=O)CC2)nc1	ZINC000602911111	553667069	/nfs/dbraw/zinc/66/70/69/553667069.db2.gz	WYFIWDAQGHZXQB-UHFFFAOYSA-N	1	0	367.453	1.997	20	30		FDEDRO
Cc1ccc(C(=O)NC2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC2)cc1	ZINC000602932030	553672500	/nfs/dbraw/zinc/67/25/00/553672500.db2.gz	OUOQMWQWMLLMBW-MRXNPFEDSA-N	1	0	356.470	1.950	20	30		FDEDRO
COC[C@@]1(C(=O)OC(C)(C)C)CC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C1	ZINC000602960640	553680805	/nfs/dbraw/zinc/68/08/05/553680805.db2.gz	HDBGQOZSAPNMNG-RDTXWAMCSA-N	1	0	353.463	1.427	20	30		FDEDRO
COC[C@]1(C(=O)OC(C)(C)C)CC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C1	ZINC000602960638	553680811	/nfs/dbraw/zinc/68/08/11/553680811.db2.gz	HDBGQOZSAPNMNG-KDOFPFPSSA-N	1	0	353.463	1.427	20	30		FDEDRO
COCC[NH2+]Cc1ccn(Cc2cn(Cc3ccccc3C#N)nn2)n1	ZINC000603173648	553722189	/nfs/dbraw/zinc/72/21/89/553722189.db2.gz	MYJRPFSGEGLIIR-UHFFFAOYSA-N	1	0	351.414	1.179	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](n3cc(C[C@@H]4CCC[NH2+]C4)nn3)C2=O)cc1	ZINC000603190209	553727390	/nfs/dbraw/zinc/72/73/90/553727390.db2.gz	DRAPTGCDIBCAJT-YJBOKZPZSA-N	1	0	350.426	1.670	20	30		FDEDRO
CC[NH2+]Cc1ccn(Cc2cn(Cc3cn4ccccc4c3C#N)nn2)n1	ZINC000603193595	553728647	/nfs/dbraw/zinc/72/86/47/553728647.db2.gz	QUUNWZZGIXMJKG-UHFFFAOYSA-N	1	0	360.425	1.805	20	30		FDEDRO
CC[NH2+]Cc1ccn(Cc2cn(Cc3ccc(C#N)cc3OC)nn2)n1	ZINC000603240789	553740507	/nfs/dbraw/zinc/74/05/07/553740507.db2.gz	LZHPTYVOAPWNII-UHFFFAOYSA-N	1	0	351.414	1.561	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](CNc2ccc(C#N)cc2CS(N)(=O)=O)C1	ZINC000603311043	553762063	/nfs/dbraw/zinc/76/20/63/553762063.db2.gz	RQHNCBPLMKZVIX-HNNXBMFYSA-N	1	0	350.488	1.737	20	30		FDEDRO
C[N@@H+]1CCCN(CCCNS(=O)(=O)c2ccc(Cl)cc2C#N)CC1	ZINC000603404116	553780799	/nfs/dbraw/zinc/78/07/99/553780799.db2.gz	UMNIYGVDGLTEPX-UHFFFAOYSA-N	1	0	370.906	1.518	20	30		FDEDRO
N#Cc1c(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)nc2ccccn21	ZINC000603421735	553784313	/nfs/dbraw/zinc/78/43/13/553784313.db2.gz	BCIGGUZVQHQVCE-INIZCTEOSA-N	1	0	354.458	1.414	20	30		FDEDRO
COCc1cc(C#N)ccc1N[C@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000603424414	553785294	/nfs/dbraw/zinc/78/52/94/553785294.db2.gz	VCGCGWIWBPUJLI-IBGZPJMESA-N	1	0	358.486	1.913	20	30		FDEDRO
N#CC1(CNC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CCCC1	ZINC000603434609	553788072	/nfs/dbraw/zinc/78/80/72/553788072.db2.gz	DNAHAZQXUKJPPR-QGZVFWFLSA-N	1	0	363.506	1.166	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000603919468	553830096	/nfs/dbraw/zinc/83/00/96/553830096.db2.gz	JQYSOYDPIVANDR-IRXDYDNUSA-N	1	0	361.467	1.216	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC)C[NH+]2CCCC2)c1	ZINC000605374334	553979003	/nfs/dbraw/zinc/97/90/03/553979003.db2.gz	XFHJMEADLNIRSV-INIZCTEOSA-N	1	0	365.499	1.755	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1	ZINC000608426198	554268327	/nfs/dbraw/zinc/26/83/27/554268327.db2.gz	VZULAHWWEOEZGD-WMLDXEAASA-N	1	0	374.489	1.254	20	30		FDEDRO
N#CCN1CCC([NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)CC1	ZINC000609334955	554367116	/nfs/dbraw/zinc/36/71/16/554367116.db2.gz	MQIYGTSNPOWJQZ-UHFFFAOYSA-N	1	0	353.426	1.925	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CNC(=O)NC2CCN(CC#N)CC2)cc1	ZINC000609336962	554367930	/nfs/dbraw/zinc/36/79/30/554367930.db2.gz	QMUAQPKHVWEXSX-UHFFFAOYSA-N	1	0	359.474	1.414	20	30		FDEDRO
N#CCN1CCC(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1	ZINC000609338350	554368223	/nfs/dbraw/zinc/36/82/23/554368223.db2.gz	ZQSMQTFDWYQCCW-LJQANCHMSA-N	1	0	369.513	1.838	20	30		FDEDRO
C[NH+]1CCC(N(Cc2ccco2)C(=O)NC2CCN(CC#N)CC2)CC1	ZINC000609341178	554369623	/nfs/dbraw/zinc/36/96/23/554369623.db2.gz	NXJDNYRTURSJIP-UHFFFAOYSA-N	1	0	359.474	1.873	20	30		FDEDRO
C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1	ZINC000609401691	554374699	/nfs/dbraw/zinc/37/46/99/554374699.db2.gz	SMEHXEKGXILPCG-CQSZACIVSA-N	1	0	372.473	1.597	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNC(=O)c2cc3ccccc3n2CC#N)CC1	ZINC000609582971	554396995	/nfs/dbraw/zinc/39/69/95/554396995.db2.gz	QFBICLPYBPEHHH-MRXNPFEDSA-N	1	0	353.470	1.921	20	30		FDEDRO
N#CCCn1cc(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)c(-c2ccccc2)n1	ZINC000609598464	554399651	/nfs/dbraw/zinc/39/96/51/554399651.db2.gz	LPRJCXLVOVMFQL-HNNXBMFYSA-N	1	0	358.467	1.988	20	30		FDEDRO
COC(=O)[C@@H]1CC12CC[NH+](C[C@@H](O)COc1ccc(CC#N)cc1)CC2	ZINC000609616884	554402974	/nfs/dbraw/zinc/40/29/74/554402974.db2.gz	BJYBJTFLTKNBLT-AEFFLSMTSA-N	1	0	358.438	1.767	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)NCCCN1CCC[N@H+](C)CC1	ZINC000609619893	554403631	/nfs/dbraw/zinc/40/36/31/554403631.db2.gz	VRCJIBRVQGBXMP-UHFFFAOYSA-N	1	0	360.458	1.089	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC[N@H+](C[C@H]2CCCO2)CC1	ZINC000610002391	554448046	/nfs/dbraw/zinc/44/80/46/554448046.db2.gz	FURHMAIVDFPPSL-ZHALLVOQSA-N	1	0	350.507	1.616	20	30		FDEDRO
C[NH+](C)CCn1nnnc1SCc1nnc(-c2cccc(C#N)c2)o1	ZINC000610218130	554474864	/nfs/dbraw/zinc/47/48/64/554474864.db2.gz	YZLUPKXKQBYRGV-UHFFFAOYSA-N	1	0	356.415	1.449	20	30		FDEDRO
C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1)c1cccc(C#N)c1	ZINC000610345839	554494203	/nfs/dbraw/zinc/49/42/03/554494203.db2.gz	ABHNBOMNRIQOEW-OLZOCXBDSA-N	1	0	372.450	1.883	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)CC2)c1	ZINC000610478199	554516083	/nfs/dbraw/zinc/51/60/83/554516083.db2.gz	QFDJDBNGXHYLDO-UHFFFAOYSA-N	1	0	374.408	1.888	20	30		FDEDRO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[NH+](C(C)(C)CO)CC1	ZINC000610481161	554516670	/nfs/dbraw/zinc/51/66/70/554516670.db2.gz	LTSKPJVSKXJDPV-GNZRSQJKSA-N	1	0	364.534	1.694	20	30		FDEDRO
CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000610722179	554554169	/nfs/dbraw/zinc/55/41/69/554554169.db2.gz	WAACYVSZSUXLJX-KRWDZBQOSA-N	1	0	356.474	1.659	20	30		FDEDRO
CC[N@@H+]1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@H]1C	ZINC000611092132	554604148	/nfs/dbraw/zinc/60/41/48/554604148.db2.gz	JLGODVJFESPWJS-OAHLLOKOSA-N	1	0	352.442	1.708	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H](n3ccnc3)C2)CC1	ZINC000611371598	554629312	/nfs/dbraw/zinc/62/93/12/554629312.db2.gz	CMOUKDZTDABCCS-ROUUACIJSA-N	1	0	358.490	1.212	20	30		FDEDRO
CC[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1OCC(=O)NC	ZINC000611379713	554629977	/nfs/dbraw/zinc/62/99/77/554629977.db2.gz	BNHSCJCDQBACGL-JXFKEZNVSA-N	1	0	372.469	1.661	20	30		FDEDRO
CC[C@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1ccccc1OCC(=O)NC	ZINC000611379729	554629997	/nfs/dbraw/zinc/62/99/97/554629997.db2.gz	BZYKPTXSTKZFAP-HOCLYGCPSA-N	1	0	360.458	1.613	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)Nc1cc(-n2cnnn2)ccc1F)c1cccc(C#N)c1	ZINC000611388516	554630622	/nfs/dbraw/zinc/63/06/22/554630622.db2.gz	PKZFNHUJVHEKTR-GFCCVEGCSA-N	1	0	365.372	1.962	20	30		FDEDRO
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCN(c2cc[nH+]cc2)CC1	ZINC000611551603	554645251	/nfs/dbraw/zinc/64/52/51/554645251.db2.gz	OBSWAHRRWAEONU-IBGZPJMESA-N	1	0	358.442	1.992	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1	ZINC000611703945	554668642	/nfs/dbraw/zinc/66/86/42/554668642.db2.gz	BIHRSWQFBTYEQZ-FQEVSTJZSA-N	1	0	373.497	1.730	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1	ZINC000612334610	554764098	/nfs/dbraw/zinc/76/40/98/554764098.db2.gz	NMWVXZSUXVPHLJ-MSOLQXFVSA-N	1	0	351.491	1.561	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc2ccccc2n1CC#N	ZINC000613690322	554954924	/nfs/dbraw/zinc/95/49/24/554954924.db2.gz	NCMNTUMQGXJRNA-MRXNPFEDSA-N	1	0	353.470	1.921	20	30		FDEDRO
C=C[C@](C)(O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2	ZINC000615354293	555195326	/nfs/dbraw/zinc/19/53/26/555195326.db2.gz	NHEZGYHVHHRHLS-ICSRJNTNSA-N	1	0	358.482	1.968	20	30		FDEDRO
C[NH+]1CCN(C[C@@H](NC(=O)N2CC[C@](F)(C#N)C2)c2ccccc2)CC1	ZINC000615542863	555210064	/nfs/dbraw/zinc/21/00/64/555210064.db2.gz	DFVSYOOQCGPKED-MJGOQNOKSA-N	1	0	359.449	1.622	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([NH2+]C[C@@H]3CNc4ccnn4C3)C2=O)cc1	ZINC000619264900	555747545	/nfs/dbraw/zinc/74/75/45/555747545.db2.gz	MTYVTSUGOAQCMM-NVXWUHKLSA-N	1	0	350.426	1.582	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH2+]C[C@@H]3CNc4ccnn4C3)C2=O)cc1	ZINC000619264902	555747774	/nfs/dbraw/zinc/74/77/74/555747774.db2.gz	MTYVTSUGOAQCMM-WBVHZDCISA-N	1	0	350.426	1.582	20	30		FDEDRO
C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)c2cccc(CC#N)c2)CC1	ZINC000619497348	555789597	/nfs/dbraw/zinc/78/95/97/555789597.db2.gz	JWWFJNTVGGVBCH-UHFFFAOYSA-N	1	0	364.515	1.447	20	30		FDEDRO
C[C@@H](C(=O)NCC1([NH+]2CCSCC2)CCCCC1)n1cnc(C#N)n1	ZINC000619592399	555805382	/nfs/dbraw/zinc/80/53/82/555805382.db2.gz	QNNYXYJDXROINP-AWEZNQCLSA-N	1	0	362.503	1.579	20	30		FDEDRO
CC[NH+]1CCN(c2cccc(NC(=O)[C@@H](C)n3cnc(C#N)n3)c2)CC1	ZINC000619599456	555806432	/nfs/dbraw/zinc/80/64/32/555806432.db2.gz	ZPVXTNYWNZMUIS-CQSZACIVSA-N	1	0	353.430	1.491	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)NCc1ccc(C)nc1N1CCCC1	ZINC000619712992	555824793	/nfs/dbraw/zinc/82/47/93/555824793.db2.gz	INGSYNNAZVPLOZ-CQSZACIVSA-N	1	0	365.503	1.806	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc1	ZINC000619781916	555833327	/nfs/dbraw/zinc/83/33/27/555833327.db2.gz	DHRYREADSJHWTK-SJORKVTESA-N	1	0	367.453	1.744	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+](CCO)CCc1ccccc1	ZINC000625165605	556731609	/nfs/dbraw/zinc/73/16/09/556731609.db2.gz	OPALPLWBHFDNNN-UHFFFAOYSA-N	1	0	362.429	1.823	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1	ZINC000625473419	556817460	/nfs/dbraw/zinc/81/74/60/556817460.db2.gz	DBJDFFLOCIEYAK-KRWDZBQOSA-N	1	0	364.534	1.333	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1	ZINC000625847213	556938040	/nfs/dbraw/zinc/93/80/40/556938040.db2.gz	RADRQCZHMCWMNS-HIFRSBDPSA-N	1	0	366.487	1.755	20	30		FDEDRO
C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1	ZINC000626908439	557225276	/nfs/dbraw/zinc/22/52/76/557225276.db2.gz	ARTNCKYXDHNYGG-SUMWQHHRSA-N	1	0	353.447	1.953	20	30		FDEDRO
Cc1cccc(N2CC[NH+](CCC(=O)N3CCSC[C@H]3C#N)CC2)c1	ZINC000271761532	674379147	/nfs/dbraw/zinc/37/91/47/674379147.db2.gz	PBIRTAPOYRAPDM-GOSISDBHSA-N	1	0	358.511	1.975	20	30		FDEDRO
C=C(C)C[C@@H]1NC(=O)N(CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1=O	ZINC000630977995	557965696	/nfs/dbraw/zinc/96/56/96/557965696.db2.gz	HDACRQVCXMZXNL-HNNXBMFYSA-N	1	0	364.490	1.500	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(CC)([NH+](C)C)CC1	ZINC000636936305	568213052	/nfs/dbraw/zinc/21/30/52/568213052.db2.gz	MELKBNJCTAYZDB-HOTGVXAUSA-N	1	0	351.491	1.417	20	30		FDEDRO
Cc1cccc(S(=O)(=O)NC2CCN(c3nccn3C)CC2)c1C#N	ZINC000365256313	568375517	/nfs/dbraw/zinc/37/55/17/568375517.db2.gz	OERFEJDTQVSMGG-UHFFFAOYSA-N	1	0	359.455	1.548	20	30		FDEDRO
Cc1ccc(CCC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)cc1	ZINC001104402254	782186228	/nfs/dbraw/zinc/18/62/28/782186228.db2.gz	CMFQUFPUSHORTM-IEBWSBKVSA-N	1	0	370.497	1.642	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cnn(C)c2C)CC1	ZINC000365392017	568602962	/nfs/dbraw/zinc/60/29/62/568602962.db2.gz	RGIUXLBMAAJMMN-APWZRJJASA-N	1	0	373.501	1.405	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCC3(CCOCC3)CC2)CC1	ZINC000367452717	568649734	/nfs/dbraw/zinc/64/97/34/568649734.db2.gz	VUMPJCFSHGFQGI-SFHVURJKSA-N	1	0	362.518	1.571	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H](NC(=O)C1CC1)[C@H](C)O)C(C)C	ZINC000272518317	674453287	/nfs/dbraw/zinc/45/32/87/674453287.db2.gz	VOIZSCITKXPWPP-UAGQMJEPSA-N	1	0	351.491	1.077	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@H](C)c1cccc(N2CCCS2(=O)=O)c1	ZINC000272821411	674477837	/nfs/dbraw/zinc/47/78/37/674477837.db2.gz	FVVOYVRCBMULKQ-CQSZACIVSA-N	1	0	372.512	1.478	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)c1ccc(OCC[NH+](CC)CC)cc1	ZINC000273032391	674498318	/nfs/dbraw/zinc/49/83/18/674498318.db2.gz	DSCNVMLIGHVRGX-UHFFFAOYSA-N	1	0	368.499	1.738	20	30		FDEDRO
CCOC(=O)c1cn(C)nc1NC(=O)N(CCC#N)CCC[NH+](C)C	ZINC000273083043	674504594	/nfs/dbraw/zinc/50/45/94/674504594.db2.gz	ASWUWEFGIPIYSU-UHFFFAOYSA-N	1	0	350.423	1.296	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@@H](CN1CCOCC1)c1ccc(CC)cc1	ZINC000273200000	674515924	/nfs/dbraw/zinc/51/59/24/674515924.db2.gz	IJPMJVAKLJQQFX-IBGZPJMESA-N	1	0	366.527	1.813	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@H](CN1CCOCC1)c1ccccc1C	ZINC000273248822	674520355	/nfs/dbraw/zinc/52/03/55/674520355.db2.gz	KSMOGLHYHWOXMY-GOSISDBHSA-N	1	0	352.500	1.559	20	30		FDEDRO
C[C@@H]1C[N@@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC[C@H]1N1CC[NH+](C)CC1	ZINC000833625357	605052380	/nfs/dbraw/zinc/05/23/80/605052380.db2.gz	UQDLIYSAWMPYIM-ATZDWAIDSA-N	1	0	356.470	1.642	20	30		FDEDRO
C=CC[C@@H](CO)NC(=O)NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C	ZINC000273474912	674540947	/nfs/dbraw/zinc/54/09/47/674540947.db2.gz	RBEBQZZYOQJVJD-GJZGRUSLSA-N	1	0	351.447	1.543	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@@H](C)Oc1ccc(-c2nn[nH]n2)cc1	ZINC000823849824	607923953	/nfs/dbraw/zinc/92/39/53/607923953.db2.gz	ANCURXMNAVEJBP-UKRRQHHQSA-N	1	0	355.398	1.275	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1ccc(OCC#N)cc1	ZINC000825935069	608035707	/nfs/dbraw/zinc/03/57/07/608035707.db2.gz	UBIXASMLAZOZMW-UHFFFAOYSA-N	1	0	367.417	1.139	20	30		FDEDRO
C[N@@H+](CC#Cc1cccc(Cl)c1)CCCc1[nH]nc(N)c1-c1nn[nH]n1	ZINC000825886894	608036825	/nfs/dbraw/zinc/03/68/25/608036825.db2.gz	AMCFRNPCRXLCCR-UHFFFAOYSA-N	1	0	370.848	1.742	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1ccc(C#N)cc1	ZINC000824564875	608464957	/nfs/dbraw/zinc/46/49/57/608464957.db2.gz	XMJNMOYDOMKFOU-CYBMUJFWSA-N	1	0	361.409	1.705	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1cccc(-c2nn[nH]n2)c1	ZINC000824554726	608491878	/nfs/dbraw/zinc/49/18/78/608491878.db2.gz	RJJBONLREWQPFS-CYBMUJFWSA-N	1	0	352.402	1.173	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NC[C@H](CO)Cc1ccccc1Br	ZINC000277514522	674958566	/nfs/dbraw/zinc/95/85/66/674958566.db2.gz	WMSDQLZFJUYXHM-NWDGAFQWSA-N	1	0	358.280	1.539	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1	ZINC000277852903	675053731	/nfs/dbraw/zinc/05/37/31/675053731.db2.gz	MTAYMHQXTGSQQM-HNNXBMFYSA-N	1	0	351.472	1.646	20	30		FDEDRO
Cc1cc(S(=O)(=O)N2CCC([N@H+](C)CCCO)CC2)ccc1C#N	ZINC000277970952	675071917	/nfs/dbraw/zinc/07/19/17/675071917.db2.gz	LJZJZRFDZNNPRO-UHFFFAOYSA-N	1	0	351.472	1.334	20	30		FDEDRO
C[C@H](CC[NH+](C)C)NC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1	ZINC000278607270	675160292	/nfs/dbraw/zinc/16/02/92/675160292.db2.gz	MIDYSVGMQVBEGM-CHWSQXEVSA-N	1	0	352.460	1.834	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2csc(CC)n2)CC1	ZINC000286624327	675897551	/nfs/dbraw/zinc/89/75/51/675897551.db2.gz	MBUMVYVDGHOKNI-GFCCVEGCSA-N	1	0	350.488	1.649	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)c2nc(C)cs2)CC1	ZINC000286819992	675907043	/nfs/dbraw/zinc/90/70/43/675907043.db2.gz	WGKMUOOKBQOXAC-CYBMUJFWSA-N	1	0	364.515	1.828	20	30		FDEDRO
COc1cccc(NC(=[NH2+])NCc2ccccc2S(=O)(=O)N(C)C)c1	ZINC000104159274	671594663	/nfs/dbraw/zinc/59/46/63/671594663.db2.gz	KNSIKGJQFCCCGO-UHFFFAOYSA-N	1	0	362.455	1.872	20	30		FDEDRO
CN(C)S(=O)(=O)c1ccc(CON=C(N)C[NH+]2CCCCCC2)o1	ZINC000111178927	671630994	/nfs/dbraw/zinc/63/09/94/671630994.db2.gz	PZBJSOQLEPAUJA-UHFFFAOYSA-N	1	0	358.464	1.195	20	30		FDEDRO
[NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NC[C@@]1(CCO)CCOC1	ZINC000126131733	671756041	/nfs/dbraw/zinc/75/60/41/671756041.db2.gz	AKBMAQNALWUHFZ-OAHLLOKOSA-N	1	0	361.364	1.779	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C[C@@H]2CC[NH2+]C2)cc1	ZINC000128405534	671776884	/nfs/dbraw/zinc/77/68/84/671776884.db2.gz	ZSJHLKOBSXRINO-GJEKEPIOSA-N	1	0	364.471	1.438	20	30		FDEDRO
Cc1nc(CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)cs1	ZINC000133867664	671824178	/nfs/dbraw/zinc/82/41/78/671824178.db2.gz	KWPPRHVNIPUOHC-CYBMUJFWSA-N	1	0	351.476	1.832	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C[C@H]2CCC[NH2+]2)cc1	ZINC000152221332	671878942	/nfs/dbraw/zinc/87/89/42/671878942.db2.gz	JMAWADFZPWJSGX-HUSAPJIJSA-N	1	0	364.471	1.580	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@]2(C)CC[NH2+]C2)c1	ZINC000152239149	671879338	/nfs/dbraw/zinc/87/93/38/671879338.db2.gz	NKXXOLCRLCMEAI-FABDANFUSA-N	1	0	364.471	1.438	20	30		FDEDRO
C#CCSCCNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000153808540	671909032	/nfs/dbraw/zinc/90/90/32/671909032.db2.gz	MDDKZXTUOOTRKA-UHFFFAOYSA-N	1	0	360.527	1.864	20	30		FDEDRO
CC[NH+]=C(NCc1csc(CC)n1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158589559	671981050	/nfs/dbraw/zinc/98/10/50/671981050.db2.gz	GYVMSHDJKUTVSS-UHFFFAOYSA-N	1	0	358.533	1.680	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1	ZINC000288236274	675980227	/nfs/dbraw/zinc/98/02/27/675980227.db2.gz	FUHOUMXJYBZEPC-UHFFFAOYSA-N	1	0	363.483	1.623	20	30		FDEDRO
C[NH+]=C(NCC(=O)N1CCCCC1)N1CC[C@H](C(=O)OC(C)(C)C)C1	ZINC000179103899	672155060	/nfs/dbraw/zinc/15/50/60/672155060.db2.gz	VYMASBNKTXFNET-AWEZNQCLSA-N	1	0	352.479	1.238	20	30		FDEDRO
CC1(O)CC[NH+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1	ZINC000182855141	672219716	/nfs/dbraw/zinc/21/97/16/672219716.db2.gz	WQUMGLYGFRCRDK-OAHLLOKOSA-N	1	0	362.499	1.304	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1	ZINC000185201680	672257557	/nfs/dbraw/zinc/25/75/57/672257557.db2.gz	ZFCWQKUHDWBLDG-RDTXWAMCSA-N	1	0	352.479	1.934	20	30		FDEDRO
CCOC(=O)N1CCC([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)CC1	ZINC000186427235	672272208	/nfs/dbraw/zinc/27/22/08/672272208.db2.gz	JPWNPSYERKYCSJ-RDTXWAMCSA-N	1	0	352.479	1.887	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(S(N)(=O)=O)cc1	ZINC000192844161	672359894	/nfs/dbraw/zinc/35/98/94/672359894.db2.gz	YJPHNRDQPCDAIC-JTQLQIEISA-N	1	0	364.452	1.556	20	30		FDEDRO
Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1ccc(CC#N)cc1	ZINC000195331244	672402491	/nfs/dbraw/zinc/40/24/91/672402491.db2.gz	WVPMWANQFVEKMF-UHFFFAOYSA-N	1	0	362.455	1.895	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1([NH3+])CCCCCC1	ZINC000237848934	672429160	/nfs/dbraw/zinc/42/91/60/672429160.db2.gz	HDLRYAQRCFHBGL-UHFFFAOYSA-N	1	0	352.416	1.796	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2C[NH3+])ccc1F	ZINC000237957326	672431243	/nfs/dbraw/zinc/43/12/43/672431243.db2.gz	OHUHJEOWQLINLA-CYBMUJFWSA-N	1	0	355.435	1.243	20	30		FDEDRO
C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1	ZINC000246002246	672479671	/nfs/dbraw/zinc/47/96/71/672479671.db2.gz	IWOHJXKQDJIHJD-HZPDHXFCSA-N	1	0	356.463	1.896	20	30		FDEDRO
C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N(C)Cc1ccc(C)cc1	ZINC000261613197	672635906	/nfs/dbraw/zinc/63/59/06/672635906.db2.gz	GEPQUFJEOWNSOA-UHFFFAOYSA-N	1	0	366.531	1.674	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N1CCO[C@H](COC)C1	ZINC000261642490	672641843	/nfs/dbraw/zinc/64/18/43/672641843.db2.gz	AKVAXVCBOLIUDP-NXOAAHMSSA-N	1	0	351.491	1.647	20	30		FDEDRO
CC[NH+]=C(NCc1nccn1CC(C)C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261655892	672644393	/nfs/dbraw/zinc/64/43/93/672644393.db2.gz	ACGSLYZPVBNBNY-UHFFFAOYSA-N	1	0	369.535	1.514	20	30		FDEDRO
CC[NH+]=C(NCc1cccc(OC)c1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261662445	672645888	/nfs/dbraw/zinc/64/58/88/672645888.db2.gz	AWCIKFREIXRXDI-UHFFFAOYSA-N	1	0	353.488	1.670	20	30		FDEDRO
CC[NH+]=C(NCCc1csc(C)n1)N1CCO[C@H](c2cnn(C)c2)C1	ZINC000261710429	672656141	/nfs/dbraw/zinc/65/61/41/672656141.db2.gz	HEDLVUJBKBPKGF-INIZCTEOSA-N	1	0	362.503	1.767	20	30		FDEDRO
CC[C@]1(C)CCN(C(NCCNS(=O)(=O)c2ccccc2)=[NH+]C)C1	ZINC000261760256	672666810	/nfs/dbraw/zinc/66/68/10/672666810.db2.gz	MVMAFHXDHVINHC-QGZVFWFLSA-N	1	0	352.504	1.662	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(S(N)(=O)=O)s1)N1CC[C@](C)(CC)C1	ZINC000261776005	672670330	/nfs/dbraw/zinc/67/03/30/672670330.db2.gz	ORMJDEDYIXGLLO-HNNXBMFYSA-N	1	0	358.533	1.983	20	30		FDEDRO
C=CCOc1ccccc1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000261806673	672675139	/nfs/dbraw/zinc/67/51/39/672675139.db2.gz	HFNISIUVKURVEJ-HNNXBMFYSA-N	1	0	357.376	1.817	20	30		FDEDRO
C[NH+]=C(NC[C@](C)(O)c1ccco1)N1CCN([C@H](C)C(F)(F)F)CC1	ZINC000261895872	672690408	/nfs/dbraw/zinc/69/04/08/672690408.db2.gz	QZKFDQNJIHDAIQ-DOMZBBRYSA-N	1	0	362.396	1.631	20	30		FDEDRO
C[NH+]=C(NCc1ccccc1[N+](=O)[O-])N1CCS(=O)(=O)C(C)(C)C1	ZINC000262004649	672710514	/nfs/dbraw/zinc/71/05/14/672710514.db2.gz	VIQHBPUPNACQGP-UHFFFAOYSA-N	1	0	354.432	1.179	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@H]1CCN(c2ccc(Cl)cc2)C1)=[NH+]C1CC1	ZINC000262271776	672759400	/nfs/dbraw/zinc/75/94/00/672759400.db2.gz	HARVBHNJOGWRBR-HNNXBMFYSA-N	1	0	363.893	1.705	20	30		FDEDRO
CCC[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCc2cc(F)ccc2C1	ZINC000262340888	672773545	/nfs/dbraw/zinc/77/35/45/672773545.db2.gz	CPCBRBVLKGZXMP-CQSZACIVSA-N	1	0	367.490	1.974	20	30		FDEDRO
CC[C@H](C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C	ZINC000262392908	672782400	/nfs/dbraw/zinc/78/24/00/672782400.db2.gz	MMEBOUVVOWPERK-RFBLXINOSA-N	1	0	371.547	1.568	20	30		FDEDRO
CC[NH+]=C(NC[C@@]1(O)CCSC1)N1CCN(Cc2cccs2)CC1	ZINC000262416923	672786234	/nfs/dbraw/zinc/78/62/34/672786234.db2.gz	QGJTUQOSCGPKHH-KRWDZBQOSA-N	1	0	368.572	1.699	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N(C)Cc1cc(Cl)cn1C	ZINC000262418705	672786582	/nfs/dbraw/zinc/78/65/82/672786582.db2.gz	QPUGYEPENDZEPN-CYBMUJFWSA-N	1	0	374.938	1.899	20	30		FDEDRO
NC(=O)c1ccc(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)o1	ZINC000262425211	672787249	/nfs/dbraw/zinc/78/72/49/672787249.db2.gz	BCJGUNATEGGVGE-UHFFFAOYSA-N	1	0	361.833	1.669	20	30		FDEDRO
C[NH+]=C(NCCc1nc2c(s1)CCCC2)NC[C@@H]1CCS(=O)(=O)C1	ZINC000262433816	672788873	/nfs/dbraw/zinc/78/88/73/672788873.db2.gz	STXCOACYXOZKCC-LBPRGKRZSA-N	1	0	370.544	1.164	20	30		FDEDRO
[NH2+]=C(NC[C@@H]1CCS(=O)(=O)C1)Nc1ccccc1OC(F)(F)F	ZINC000262436341	672789155	/nfs/dbraw/zinc/78/91/55/672789155.db2.gz	CGMKERSCMHQCOZ-VIFPVBQESA-N	1	0	351.350	1.747	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(=[NH+]C[C@@H]2CCCO2)N2CC[C@H](C3CC3)C2)C1	ZINC000262447750	672791094	/nfs/dbraw/zinc/79/10/94/672791094.db2.gz	VNJZIAQRNZANCB-PVAVHDDUSA-N	1	0	369.531	1.278	20	30		FDEDRO
C[C@H]1C[NH+]=C(NCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)N1	ZINC000262682998	672830051	/nfs/dbraw/zinc/83/00/51/672830051.db2.gz	XBANEPDDGJOOGZ-KBPBESRZSA-N	1	0	350.488	1.545	20	30		FDEDRO
C[NH+]=C(NCc1ccc(Cl)cc1OC)N1CCN(C2CC2)C(=O)C1	ZINC000262798684	672850746	/nfs/dbraw/zinc/85/07/46/672850746.db2.gz	QHWDHPFDFAVSAY-UHFFFAOYSA-N	1	0	350.850	1.731	20	30		FDEDRO
CC[NH+]=C(NC[C@@]1(N(C)C)CCSC1)N1CCN(C(=O)C(C)C)CC1	ZINC000262816100	672851265	/nfs/dbraw/zinc/85/12/65/672851265.db2.gz	VQINNHBQBVFWOE-SFHVURJKSA-N	1	0	369.579	1.189	20	30		FDEDRO
COCCNC(=[NH2+])NC[C@H]1CCN(c2ccc(Br)cc2)C1	ZINC000264128264	672902010	/nfs/dbraw/zinc/90/20/10/672902010.db2.gz	WZKQAYJCGRYQNQ-GFCCVEGCSA-N	1	0	355.280	1.826	20	30		FDEDRO
C=C(C)C[NH+]1CCC(Nc2ccc(S(N)(=O)=O)cc2C(=O)OC)CC1	ZINC000264494588	672914676	/nfs/dbraw/zinc/91/46/76/672914676.db2.gz	OLQRFOSLVJNUPA-UHFFFAOYSA-N	1	0	367.471	1.573	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)c1	ZINC000267248208	673277300	/nfs/dbraw/zinc/27/73/00/673277300.db2.gz	ZHUCLHWKOFAKMU-SFHVURJKSA-N	1	0	360.483	1.343	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1	ZINC000289358686	676124430	/nfs/dbraw/zinc/12/44/30/676124430.db2.gz	YYIPJQCTNZMGNQ-SHTZXODSSA-N	1	0	365.499	1.646	20	30		FDEDRO
CC[N@H+](CCO)CCNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000282510329	675631990	/nfs/dbraw/zinc/63/19/90/675631990.db2.gz	ZRPHBAUUBWLAMT-UHFFFAOYSA-N	1	0	365.377	1.170	20	30		FDEDRO
CCCCNC(=S)C(C(=O)c1cnn(C)n1)[n+]1ccc(N(C)C)cc1	ZINC000284105146	675671840	/nfs/dbraw/zinc/67/18/40/675671840.db2.gz	LLDLRQJKPGAQFN-UHFFFAOYSA-O	1	0	361.495	1.497	20	30		FDEDRO
CS(=O)(=O)NCC1CC[NH+](CCCOc2cccc(C#N)c2)CC1	ZINC000285345930	675820684	/nfs/dbraw/zinc/82/06/84/675820684.db2.gz	DGCZGPBIWPHLNF-UHFFFAOYSA-N	1	0	351.472	1.588	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(C)c1Br	ZINC000293278826	676342094	/nfs/dbraw/zinc/34/20/94/676342094.db2.gz	GBNMEARJIGWTFR-UHFFFAOYSA-N	1	0	366.259	1.767	20	30		FDEDRO
CC(C)[NH+](CCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(C)C	ZINC000298196134	676439352	/nfs/dbraw/zinc/43/93/52/676439352.db2.gz	QXPWGYSVZPYGAL-UHFFFAOYSA-N	1	0	366.487	1.072	20	30		FDEDRO
CNS(=O)(=O)Cc1ccc(CNC(=[NH2+])NCCc2cccs2)cc1	ZINC000303793275	676543190	/nfs/dbraw/zinc/54/31/90/676543190.db2.gz	ZHMUORPHHVRAMD-UHFFFAOYSA-N	1	0	366.512	1.444	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H]2CCCO[C@H]2C(C)C)CC1	ZINC000304764078	676544519	/nfs/dbraw/zinc/54/45/19/676544519.db2.gz	XOAIGLQQUZKBGH-ZBFHGGJFSA-N	1	0	354.495	1.963	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1c(C)[nH]c(C(=O)OCC)c1C	ZINC000328034522	676597255	/nfs/dbraw/zinc/59/72/55/676597255.db2.gz	VYUMMQCWFQGJFD-UHFFFAOYSA-N	1	0	355.460	1.042	20	30		FDEDRO
C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@]2(N3CCOCC3)CCSC2)C1	ZINC000328658337	676601031	/nfs/dbraw/zinc/60/10/31/676601031.db2.gz	QWDLIDHEAKXURF-SJLPKXTDSA-N	1	0	370.563	1.430	20	30		FDEDRO
C[C@H](CNC(=O)CN(C)S(=O)(=O)c1cccnc1)[N@@H+]1CCC[C@@H](C)C1	ZINC000329008372	676615974	/nfs/dbraw/zinc/61/59/74/676615974.db2.gz	ZQBLNJSNUKFRHE-HUUCEWRRSA-N	1	0	368.503	1.779	20	30		FDEDRO
C[C@@H](CN1CCOCC1)C(=O)Nc1nc(CN2CCOCC2)cs1	ZINC000329041986	676617202	/nfs/dbraw/zinc/61/72/02/676617202.db2.gz	ILTJFHIILSOABP-ZDUSSCGKSA-N	1	0	354.476	1.532	20	30		FDEDRO
CO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C1	ZINC000329045765	676617345	/nfs/dbraw/zinc/61/73/45/676617345.db2.gz	JJUXWXITAHZBOK-BARDWOONSA-N	1	0	350.467	1.364	20	30		FDEDRO
C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C	ZINC000329146665	676622549	/nfs/dbraw/zinc/62/25/49/676622549.db2.gz	XIUHFQNKPZWHJI-JKJDWNRSSA-N	1	0	351.495	1.569	20	30		FDEDRO
CC(=O)N1CCC[C@@](O)(C(=O)NC2CC[NH+](CC3CCCC3)CC2)C1	ZINC000329149337	676622791	/nfs/dbraw/zinc/62/27/91/676622791.db2.gz	YTZRYULBTAEHIS-IBGZPJMESA-N	1	0	351.491	1.971	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3nc(CN4CCOCC4)cs3)[C@H]2C1	ZINC000329240135	676627855	/nfs/dbraw/zinc/62/78/55/676627855.db2.gz	MLIICUPMDVYIBR-HIFRSBDPSA-N	1	0	365.503	1.547	20	30		FDEDRO
O=C(CCNS(=O)(=O)c1ccccc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000329242561	676628037	/nfs/dbraw/zinc/62/80/37/676628037.db2.gz	SJXVJSZRAOOCFP-CVEARBPZSA-N	1	0	351.472	1.938	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1	ZINC000329267113	676629554	/nfs/dbraw/zinc/62/95/54/676629554.db2.gz	HRAXDGFAKCCEME-INMHGKMJSA-N	1	0	373.519	1.053	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)C1	ZINC000329315411	676632732	/nfs/dbraw/zinc/63/27/32/676632732.db2.gz	QKNCCKJELLHOBW-CVEARBPZSA-N	1	0	352.479	1.591	20	30		FDEDRO
CS(=O)(=O)N1CCC[C@H](NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1	ZINC000329330047	676633455	/nfs/dbraw/zinc/63/34/55/676633455.db2.gz	VNTZTXKOYBKOSZ-HOTGVXAUSA-N	1	0	372.535	1.275	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O	ZINC000329334909	676633626	/nfs/dbraw/zinc/63/36/26/676633626.db2.gz	OHCFZIJWUMDZIT-XDNAFOTISA-N	1	0	353.507	1.883	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1CSCN1C(=O)c1ccccc1	ZINC000329383427	676636491	/nfs/dbraw/zinc/63/64/91/676636491.db2.gz	RCSRZQRRURWHPS-CVEARBPZSA-N	1	0	362.499	1.404	20	30		FDEDRO
CC1CCC(N2C[C@H](C(=O)NC[C@@H]3C[N@H+](C)CCN3C)CC2=O)CC1	ZINC000329395584	676636921	/nfs/dbraw/zinc/63/69/21/676636921.db2.gz	XCJHAZZSEYVKSX-MNAZLIDISA-N	1	0	350.507	1.616	20	30		FDEDRO
C[NH+]1CCC([C@@H]2CCN(C(=O)NC[C@H]3CCCS(=O)(=O)C3)C2)CC1	ZINC000329401006	676637100	/nfs/dbraw/zinc/63/71/00/676637100.db2.gz	YXEBIQQOCAXPDX-GDBMZVCRSA-N	1	0	357.520	1.389	20	30		FDEDRO
CC(C)[C@H](CNC(=O)N1CC[S@](=O)[C@H](C)[C@H]1C)N1CC[NH+](C)CC1	ZINC000329564673	676644263	/nfs/dbraw/zinc/64/42/63/676644263.db2.gz	HBGOQTIOMFJTOQ-GZJVRANKSA-N	1	0	358.552	1.014	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)[C@@H](C)C1	ZINC000329577852	676644841	/nfs/dbraw/zinc/64/48/41/676644841.db2.gz	WEMNTAHJMFXQJJ-LJIGWXMPSA-N	1	0	357.520	1.342	20	30		FDEDRO
CCC1(CC)CN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCS1(=O)=O	ZINC000329775895	676655095	/nfs/dbraw/zinc/65/50/95/676655095.db2.gz	NMYGWPBBAGKUNY-AWEZNQCLSA-N	1	0	357.520	1.674	20	30		FDEDRO
CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1	ZINC000329789100	676656357	/nfs/dbraw/zinc/65/63/57/676656357.db2.gz	BRXBXUAEFHTRQJ-GJZGRUSLSA-N	1	0	360.524	1.131	20	30		FDEDRO
C[C@@H]1CN(C([O-])=[NH+][C@H]2CCc3nc(C(C)(C)C)cn3C2)CCS1(=O)=O	ZINC000329792230	676656607	/nfs/dbraw/zinc/65/66/07/676656607.db2.gz	FHZPXYUWXBPUSI-OLZOCXBDSA-N	1	0	368.503	1.528	20	30		FDEDRO
CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1C[C@H](OC)CN1S(C)(=O)=O	ZINC000329825285	676659395	/nfs/dbraw/zinc/65/93/95/676659395.db2.gz	BVOMARCZLVKSHI-QLFBSQMISA-N	1	0	361.508	1.256	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2C[C@@H](C)S(=O)(=O)[C@@H](C)C2)C1	ZINC000329836826	676659950	/nfs/dbraw/zinc/65/99/50/676659950.db2.gz	VHHHFGFZNZSLAI-OWCLPIDISA-N	1	0	359.536	1.776	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O	ZINC000329856424	676661221	/nfs/dbraw/zinc/66/12/21/676661221.db2.gz	USWOUPIRZHQAOE-CYBMUJFWSA-N	1	0	367.471	1.565	20	30		FDEDRO
Cc1noc([C@H]2C[C@@H](O)CN2C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)n1	ZINC000329903240	676663216	/nfs/dbraw/zinc/66/32/16/676663216.db2.gz	IEWGWDYPCQCKFV-BPLDGKMQSA-N	1	0	351.451	1.520	20	30		FDEDRO
CN1C[C@H](NC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1=O	ZINC000329925159	676664000	/nfs/dbraw/zinc/66/40/00/676664000.db2.gz	JORDAOQAAFMQGL-WOSRLPQWSA-N	1	0	350.488	1.865	20	30		FDEDRO
C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@H](C2CC2)O1	ZINC000329928887	676664177	/nfs/dbraw/zinc/66/41/77/676664177.db2.gz	YIYYMVHZAXVSHA-RVKKMQEKSA-N	1	0	351.491	1.901	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N2CCS(=O)(=O)c3ccccc3C2)CC[N@@H+]1C	ZINC000330095422	676672381	/nfs/dbraw/zinc/67/23/81/676672381.db2.gz	VKZBPMXFJAXDJT-UKRRQHHQSA-N	1	0	351.472	1.673	20	30		FDEDRO
C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC(=O)N(CC(F)(F)F)C1	ZINC000330113164	676673214	/nfs/dbraw/zinc/67/32/14/676673214.db2.gz	CPLFBFGWYDEXGR-FRRDWIJNSA-N	1	0	364.412	1.931	20	30		FDEDRO
C[NH+]1CCC([C@@H]2CCN(C(=O)NCc3nc(C(F)(F)F)n[nH]3)C2)CC1	ZINC000330140372	676674814	/nfs/dbraw/zinc/67/48/14/676674814.db2.gz	WXKSPXAPCGQHPL-LLVKDONJSA-N	1	0	360.384	1.901	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N[C@@H]1CCC[C@@H]2OCC[C@H]21	ZINC000330171782	676676512	/nfs/dbraw/zinc/67/65/12/676676512.db2.gz	FSSLUJPPPVMOFS-PNKHAZJDSA-N	1	0	351.491	1.825	20	30		FDEDRO
CC[C@@H](C)NC(=O)CN1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1	ZINC000330272441	676682292	/nfs/dbraw/zinc/68/22/92/676682292.db2.gz	XREWYNKNFXSTJR-OAHLLOKOSA-N	1	0	350.507	1.760	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N1CC[NH+](C2CCC(C)CC2)CC1	ZINC000330402566	676689089	/nfs/dbraw/zinc/68/90/89/676689089.db2.gz	VFHPKAIUOOEQKG-UHFFFAOYSA-N	1	0	372.535	1.290	20	30		FDEDRO
CC(C)C(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C1	ZINC000330430768	676690188	/nfs/dbraw/zinc/69/01/88/676690188.db2.gz	IOBSYBCWYWNWCW-KBPBESRZSA-N	1	0	354.495	1.688	20	30		FDEDRO
CCS(=O)(=O)N1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1	ZINC000330481802	676692891	/nfs/dbraw/zinc/69/28/91/676692891.db2.gz	QKJANXKWDUQVDJ-HNNXBMFYSA-N	1	0	374.551	1.425	20	30		FDEDRO
CCC[NH+]1CCC(CNC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1	ZINC000330484042	676693078	/nfs/dbraw/zinc/69/30/78/676693078.db2.gz	WJRVVGLPRMLUDX-INIZCTEOSA-N	1	0	374.551	1.284	20	30		FDEDRO
CCN(CC)S(=O)(=O)CCNC(=O)N1CCC([NH+]2CCCCC2)CC1	ZINC000330858878	676706926	/nfs/dbraw/zinc/70/69/26/676706926.db2.gz	TWNASKDMSUJKDB-UHFFFAOYSA-N	1	0	374.551	1.522	20	30		FDEDRO
CCc1ccc(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc1S(N)(=O)=O	ZINC000330898537	676708555	/nfs/dbraw/zinc/70/85/55/676708555.db2.gz	UWIUHGTWPPMAPP-RYUDHWBXSA-N	1	0	354.476	1.466	20	30		FDEDRO
C[C@@H](COc1cccc(F)c1)NC(=O)N1CC[NH+](CC(C)(C)O)CC1	ZINC000330959043	676711035	/nfs/dbraw/zinc/71/10/35/676711035.db2.gz	AVSIFZVVTVHFKH-AWEZNQCLSA-N	1	0	353.438	1.896	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)C[C@@H]1C	ZINC000331301428	676726560	/nfs/dbraw/zinc/72/65/60/676726560.db2.gz	VDIKYBADGBZYRF-FZMZJTMJSA-N	1	0	372.466	1.823	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000362164926	676910630	/nfs/dbraw/zinc/91/06/30/676910630.db2.gz	WPNBUWGBPSQZSB-KBRIMQKVSA-N	1	0	367.446	1.570	20	30		FDEDRO
C=CCN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCS(=O)(=O)C1	ZINC000362858242	676925838	/nfs/dbraw/zinc/92/58/38/676925838.db2.gz	ATUGXQAPYFRFDK-DOTOQJQBSA-N	1	0	354.516	1.843	20	30		FDEDRO
C=CCNc1ncc(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)s1	ZINC000363706348	676969773	/nfs/dbraw/zinc/96/97/73/676969773.db2.gz	BEOILVPOBMKQAI-SOUVJXGZSA-N	1	0	364.515	2.360	20	30		FDEDRO
[NH3+]C[C@H]1CN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCCO1	ZINC000416943292	679735275	/nfs/dbraw/zinc/73/52/75/679735275.db2.gz	KLVDASGQCGTQDH-HNNXBMFYSA-N	1	0	355.360	1.816	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1	ZINC000422114708	680691391	/nfs/dbraw/zinc/69/13/91/680691391.db2.gz	LZFNHUIEBVSXBU-UHFFFAOYSA-N	1	0	350.507	1.040	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1	ZINC000367031492	677480689	/nfs/dbraw/zinc/48/06/89/677480689.db2.gz	VUKIZQGULLAMMN-GBESFXJTSA-N	1	0	350.551	1.757	20	30		FDEDRO
N#Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H]1CN2CCCC[C@H]2CO1	ZINC000367139807	677489326	/nfs/dbraw/zinc/48/93/26/677489326.db2.gz	LPRXDEJLFGGSGC-QWHCGFSZSA-N	1	0	369.874	1.743	20	30		FDEDRO
N#Cc1c(Cl)cccc1S(=O)(=O)NC[C@H]1CN2CCCC[C@H]2CO1	ZINC000367139808	677489370	/nfs/dbraw/zinc/48/93/70/677489370.db2.gz	LPRXDEJLFGGSGC-STQMWFEESA-N	1	0	369.874	1.743	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[NH+](C2CCC(NC(=O)CC#N)CC2)CC1	ZINC000367849466	677496246	/nfs/dbraw/zinc/49/62/46/677496246.db2.gz	MSSHDJURICBPJH-UHFFFAOYSA-N	1	0	350.463	1.880	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1	ZINC000369529182	677505947	/nfs/dbraw/zinc/50/59/47/677505947.db2.gz	WQBDTQMTGJKWQM-FUHWJXTLSA-N	1	0	364.515	1.967	20	30		FDEDRO
N#Cc1cc(F)c(S(=O)(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c(F)c1	ZINC000370465364	677580877	/nfs/dbraw/zinc/58/08/77/677580877.db2.gz	SLKVKXYEVBFVLP-WOSRLPQWSA-N	1	0	367.421	1.941	20	30		FDEDRO
CN(CC(=O)Nc1sccc1C#N)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000372365847	677903483	/nfs/dbraw/zinc/90/34/83/677903483.db2.gz	LSEQJUCYDSULGG-MRXNPFEDSA-N	1	0	361.515	1.659	20	30		FDEDRO
CCOC(=O)[C@]1(COC)CCC[N@H+](CC(=O)N(CC)C[C@H](C)C#N)C1	ZINC000374169397	678073875	/nfs/dbraw/zinc/07/38/75/678073875.db2.gz	CHCAMGHSQFSFRJ-CRAIPNDOSA-N	1	0	353.463	1.286	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NCC1([NH+]2CCSCC2)CCCC1	ZINC000374550584	678086750	/nfs/dbraw/zinc/08/67/50/678086750.db2.gz	PSBCSDMIDYRXQF-AWEZNQCLSA-N	1	0	360.549	1.416	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000374604593	678088134	/nfs/dbraw/zinc/08/81/34/678088134.db2.gz	VXLLDMWQKSSRSJ-WBVHZDCISA-N	1	0	350.488	1.577	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1	ZINC000423025220	680772723	/nfs/dbraw/zinc/77/27/23/680772723.db2.gz	NQNJTVWPOFAVQN-LLVKDONJSA-N	1	0	357.863	1.102	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2	ZINC000423333359	680789015	/nfs/dbraw/zinc/78/90/15/680789015.db2.gz	FFMWUUVYDIENFQ-INIZCTEOSA-N	1	0	351.491	1.405	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)Cc3cccc(C#N)c3)CC2)C1	ZINC000377736551	678602053	/nfs/dbraw/zinc/60/20/53/678602053.db2.gz	BEWDGKMLZBREGB-SFHVURJKSA-N	1	0	362.499	1.100	20	30		FDEDRO
CC(C)[NH+]1CCN(C2CCN(S(=O)(=O)CCC(C)(C)C#N)CC2)CC1	ZINC000377840162	678624857	/nfs/dbraw/zinc/62/48/57/678624857.db2.gz	PTVYMPROPZFJMT-UHFFFAOYSA-N	1	0	370.563	1.746	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000409501215	678853432	/nfs/dbraw/zinc/85/34/32/678853432.db2.gz	LTHIVXJDSHVSRZ-DOTOQJQBSA-N	1	0	350.488	1.577	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NCc1cccc(OCC[NH+](C)C)c1	ZINC000409548871	678858614	/nfs/dbraw/zinc/85/86/14/678858614.db2.gz	UXFJJARWYQQCRK-UHFFFAOYSA-N	1	0	354.476	1.197	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C	ZINC000409589360	678864330	/nfs/dbraw/zinc/86/43/30/678864330.db2.gz	PMOPATUIOHYLNF-DOTOQJQBSA-N	1	0	352.504	1.914	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1	ZINC000410148362	678885885	/nfs/dbraw/zinc/88/58/85/678885885.db2.gz	CRRPSHXHGAOFRL-HZPDHXFCSA-N	1	0	360.524	1.145	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1CCC(n2cc(Br)cn2)CC1	ZINC000424136452	680830435	/nfs/dbraw/zinc/83/04/35/680830435.db2.gz	KNGOJSLUIDMKCQ-ZDUSSCGKSA-N	1	0	354.252	1.830	20	30		FDEDRO
COC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccc(OC(F)F)cc1	ZINC000424169548	680831373	/nfs/dbraw/zinc/83/13/73/680831373.db2.gz	JUMHNZWYEYKZOK-STQMWFEESA-N	1	0	355.341	1.639	20	30		FDEDRO
CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)C(=O)[C@H]([NH3+])CCCC#N	ZINC000424183640	680831393	/nfs/dbraw/zinc/83/13/93/680831393.db2.gz	BPOFVOLVKPXOBZ-MELADBBJSA-N	1	0	353.467	1.535	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1	ZINC000414886713	679372598	/nfs/dbraw/zinc/37/25/98/679372598.db2.gz	CVEZLMNZYPDPSU-DZGCQCFKSA-N	1	0	366.487	1.885	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1	ZINC000414896587	679373140	/nfs/dbraw/zinc/37/31/40/679373140.db2.gz	PNUMPYGOZHJJLN-UKRRQHHQSA-N	1	0	366.487	1.755	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)CCC[NH3+])cc1	ZINC000414901456	679373603	/nfs/dbraw/zinc/37/36/03/679373603.db2.gz	XBBLOOQISMKFGZ-ZDUSSCGKSA-N	1	0	354.476	1.742	20	30		FDEDRO
CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(=O)N3CC[C@H]([NH3+])C3)sc2C1	ZINC000415360590	679414255	/nfs/dbraw/zinc/41/42/55/679414255.db2.gz	XXWJFXCQYGOXQN-NEPJUHHUSA-N	1	0	360.483	1.879	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc1	ZINC000415591303	679459932	/nfs/dbraw/zinc/45/99/32/679459932.db2.gz	AKBQLDLCUFIXJF-IOASZLSFSA-N	1	0	364.471	1.963	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC[NH2+]C2(C)C)cc1	ZINC000415591924	679460218	/nfs/dbraw/zinc/46/02/18/679460218.db2.gz	BINNQIPJDPIPJQ-SMDDNHRTSA-N	1	0	350.444	1.634	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1	ZINC000415594029	679460595	/nfs/dbraw/zinc/46/05/95/679460595.db2.gz	FYJWQMDMGTYDRB-AGIUHOORSA-N	1	0	350.444	1.586	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1	ZINC000415595566	679461144	/nfs/dbraw/zinc/46/11/44/679461144.db2.gz	HJSUSUVSKQECHS-FZMZJTMJSA-N	1	0	352.460	1.867	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc1	ZINC000415600318	679462091	/nfs/dbraw/zinc/46/20/91/679462091.db2.gz	NQZWFFRQVWJXPC-IUODEOHRSA-N	1	0	364.471	1.882	20	30		FDEDRO
C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000415746631	679491148	/nfs/dbraw/zinc/49/11/48/679491148.db2.gz	VNFFKYWKDGUFLL-JTQLQIEISA-N	1	0	367.247	1.893	20	30		FDEDRO
C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1	ZINC000415827737	679516907	/nfs/dbraw/zinc/51/69/07/679516907.db2.gz	CAFAMVAJIUHSGZ-ZDUSSCGKSA-N	1	0	359.348	1.976	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3cc(Br)ccc3C#N)C[C@@H]2C1	ZINC000416476086	679634863	/nfs/dbraw/zinc/63/48/63/679634863.db2.gz	LVGZISSFUZGLQJ-TXEJJXNPSA-N	1	0	370.272	1.503	20	30		FDEDRO
C=C(CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1	ZINC000418207664	680024799	/nfs/dbraw/zinc/02/47/99/680024799.db2.gz	PUIQIZHRQIQUOJ-HNNXBMFYSA-N	1	0	356.392	1.835	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)NCCC[C@H]3CCC[NH2+]3)CC2)c1C#N	ZINC000418756152	680118450	/nfs/dbraw/zinc/11/84/50/680118450.db2.gz	YAYVZPDNWHKUJZ-CQSZACIVSA-N	1	0	362.503	1.687	20	30		FDEDRO
C=CCCCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1	ZINC000419047981	680179062	/nfs/dbraw/zinc/17/90/62/680179062.db2.gz	ZAEBJZLAZLHEHV-XJKSGUPXSA-N	1	0	351.397	1.609	20	30		FDEDRO
C=CCCCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1	ZINC000419047979	680179101	/nfs/dbraw/zinc/17/91/01/680179101.db2.gz	ZAEBJZLAZLHEHV-CJNGLKHVSA-N	1	0	351.397	1.609	20	30		FDEDRO
[NH3+]C[C@@H](NC(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CC1	ZINC000419112840	680192749	/nfs/dbraw/zinc/19/27/49/680192749.db2.gz	KOIIVSWDNXVZSS-CQSZACIVSA-N	1	0	353.344	1.027	20	30		FDEDRO
C=C(C)[C@@H](NC(=O)C(=O)NCCC[NH2+]C1CC1)c1ccc(F)c(F)c1	ZINC000419674492	680316018	/nfs/dbraw/zinc/31/60/18/680316018.db2.gz	IYUQPNDBXQHEJF-MRXNPFEDSA-N	1	0	351.397	1.957	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)c1ccc(F)c(F)c1	ZINC000419686126	680320631	/nfs/dbraw/zinc/32/06/31/680320631.db2.gz	YMKSHYNESRYZCN-OZVIIMIRSA-N	1	0	351.397	1.907	20	30		FDEDRO
C[NH2+][C@H]1CCCN(S(=O)(=O)c2cccc(Br)c2C#N)C1	ZINC000420437013	680450172	/nfs/dbraw/zinc/45/01/72/680450172.db2.gz	PJKLDPDQYKMRCS-JTQLQIEISA-N	1	0	358.261	1.693	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N[C@H]1CCC[C@H]1C[NH3+]	ZINC000420460804	680463771	/nfs/dbraw/zinc/46/37/71/680463771.db2.gz	RNIBGTIYQSUPKY-CABZTGNLSA-N	1	0	358.261	1.726	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c1	ZINC000420476050	680468025	/nfs/dbraw/zinc/46/80/25/680468025.db2.gz	HSKQFJZEFRYFOW-DZGCQCFKSA-N	1	0	351.472	1.208	20	30		FDEDRO
C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)NCC(C)(C)CC#N)C1	ZINC000421657391	680670488	/nfs/dbraw/zinc/67/04/88/680670488.db2.gz	TVKLCWCIQZJMKV-HOTGVXAUSA-N	1	0	350.507	1.917	20	30		FDEDRO
C=CCCOCCCCC(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1	ZINC000425305903	680893473	/nfs/dbraw/zinc/89/34/73/680893473.db2.gz	IRUHXFPLUTWDJB-KRWDZBQOSA-N	1	0	351.491	1.561	20	30		FDEDRO
C=CCn1cc(CNC(=O)NC2CC[NH+](CCOC(C)C)CC2)nn1	ZINC000425567822	680910298	/nfs/dbraw/zinc/91/02/98/680910298.db2.gz	UNTYQLWGXWEKJB-UHFFFAOYSA-N	1	0	350.467	1.153	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C	ZINC000430385550	681074534	/nfs/dbraw/zinc/07/45/34/681074534.db2.gz	NMNJDXCAUJDJPA-HZMVEIRTSA-N	1	0	351.491	1.273	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(Cl)c(C#N)c2)CCCO1	ZINC000432341144	681153896	/nfs/dbraw/zinc/15/38/96/681153896.db2.gz	UDLFAHJCCDZBDZ-CYBMUJFWSA-N	1	0	371.890	1.991	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C	ZINC000435587405	681607114	/nfs/dbraw/zinc/60/71/14/681607114.db2.gz	CQDCAFYSJDVAAD-HOTGVXAUSA-N	1	0	370.519	1.321	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2cccc(C)c2C#N)C1	ZINC000441977692	682113526	/nfs/dbraw/zinc/11/35/26/682113526.db2.gz	NPKHQJJYSBPISY-MRXNPFEDSA-N	1	0	365.499	1.988	20	30		FDEDRO
CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000443351403	682285076	/nfs/dbraw/zinc/28/50/76/682285076.db2.gz	MUEQBEZVSVZKHA-LBPRGKRZSA-N	1	0	370.431	1.102	20	30		FDEDRO
CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1ccc(C#N)c(C)c1	ZINC000443912827	682362133	/nfs/dbraw/zinc/36/21/33/682362133.db2.gz	GSPRKZGCZKBFHB-UHFFFAOYSA-N	1	0	353.488	1.846	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCCC(C)(C)[C@H]2C#N)C1	ZINC000444718493	682422155	/nfs/dbraw/zinc/42/21/55/682422155.db2.gz	KSZNVNNBIKHSMZ-DLBZAZTESA-N	1	0	350.507	1.474	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1	ZINC000447253831	682541395	/nfs/dbraw/zinc/54/13/95/682541395.db2.gz	CEFLKNPRPWJSRJ-ONGXEEELSA-N	1	0	358.261	1.679	20	30		FDEDRO
CC1(C#N)CCC([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000449101249	682665160	/nfs/dbraw/zinc/66/51/60/682665160.db2.gz	UMEGSUJLOCNJRV-UHFFFAOYSA-N	1	0	366.443	1.935	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNc2ncc(Br)cc2C#N)CC1	ZINC000450260066	682748415	/nfs/dbraw/zinc/74/84/15/682748415.db2.gz	ZLYHLYARLJHOIJ-GFCCVEGCSA-N	1	0	352.280	2.154	20	30		FDEDRO
C[NH+](C)C[C@H](O)COc1ccc(NS(=O)(=O)CC(C)(C)CC#N)cc1	ZINC000451227249	682845311	/nfs/dbraw/zinc/84/53/11/682845311.db2.gz	NRMMBNPIJUIKLY-HNNXBMFYSA-N	1	0	369.487	1.669	20	30		FDEDRO
CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)Cc2ccc(F)cc2C#N)CC1	ZINC000451231643	682847239	/nfs/dbraw/zinc/84/72/39/682847239.db2.gz	TVPYSSCWZNHBLK-KRWDZBQOSA-N	1	0	369.462	1.210	20	30		FDEDRO
C[C@@H]([N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C(C)(C)O	ZINC000451374678	682873205	/nfs/dbraw/zinc/87/32/05/682873205.db2.gz	UEWVZPQUKIOQDD-CABCVRRESA-N	1	0	364.515	1.548	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1	ZINC000451606209	682905497	/nfs/dbraw/zinc/90/54/97/682905497.db2.gz	MNNQCBGVUSWQOX-MAZHCROVSA-N	1	0	367.471	1.197	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC[C@H]2CCCCN2CCO)cc1Cl	ZINC000451668803	682919369	/nfs/dbraw/zinc/91/93/69/682919369.db2.gz	WPHFQPLNLLNWSU-CYBMUJFWSA-N	1	0	357.863	1.337	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C[C@H]1O	ZINC000451765120	682933048	/nfs/dbraw/zinc/93/30/48/682933048.db2.gz	XABLJSZFHIKAPZ-NILFDRSVSA-N	1	0	363.483	1.765	20	30		FDEDRO
COC[C@@H]1CCC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1	ZINC000452107300	683029692	/nfs/dbraw/zinc/02/96/92/683029692.db2.gz	SEJKXKWNOCYQQI-MSOLQXFVSA-N	1	0	350.507	1.427	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453670240	683181680	/nfs/dbraw/zinc/18/16/80/683181680.db2.gz	YTOYHHMXPQGBSX-UHFFFAOYSA-N	1	0	366.849	1.429	20	30		FDEDRO
C[NH+](C)CCN(C(=O)C(=O)Nc1cnc(C#N)c(Cl)c1)C1CCCC1	ZINC000453723248	683196418	/nfs/dbraw/zinc/19/64/18/683196418.db2.gz	USPFEFQRVHWGBD-UHFFFAOYSA-N	1	0	363.849	1.878	20	30		FDEDRO
C[NH+](C)C1CCN(CCNC(=O)Nc2cnc(C#N)c(Cl)c2)CC1	ZINC000455780407	683499402	/nfs/dbraw/zinc/49/94/02/683499402.db2.gz	INLXTRASDQAUFS-UHFFFAOYSA-N	1	0	350.854	1.754	20	30		FDEDRO
C=C(CC)CNC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C	ZINC000456810931	683681731	/nfs/dbraw/zinc/68/17/31/683681731.db2.gz	HPJNOPAJRARAMO-UHFFFAOYSA-N	1	0	367.515	1.921	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCCNC(=O)[C@H]2CC(C)C)CC1	ZINC000458322649	684241530	/nfs/dbraw/zinc/24/15/30/684241530.db2.gz	OSQGKASDTGJIMM-QGZVFWFLSA-N	1	0	350.507	1.973	20	30		FDEDRO
CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(C#N)cc1OC	ZINC000464192895	684727112	/nfs/dbraw/zinc/72/71/12/684727112.db2.gz	NEKSWRKSYSLHKN-AWEZNQCLSA-N	1	0	355.460	1.202	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCSC[C@H]2CCO)c(OC)c1	ZINC000470204650	685015457	/nfs/dbraw/zinc/01/54/57/685015457.db2.gz	BCTGTELNORJNTA-SJORKVTESA-N	1	0	367.511	1.963	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC1CC[NH+](CCC)CC1	ZINC000477638364	685869213	/nfs/dbraw/zinc/86/92/13/685869213.db2.gz	CPPOHCHWTBTSFK-SJORKVTESA-N	1	0	351.491	1.322	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN(C(C)=O)C[C@H]1C)C(C)C	ZINC000479453225	686023306	/nfs/dbraw/zinc/02/33/06/686023306.db2.gz	JDRORTPFRFOUBH-SJLPKXTDSA-N	1	0	350.507	1.947	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000481047072	686286436	/nfs/dbraw/zinc/28/64/36/686286436.db2.gz	ZPMHZSPRRDWMLZ-OAHLLOKOSA-N	1	0	355.435	1.228	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1	ZINC000487786781	687001992	/nfs/dbraw/zinc/00/19/92/687001992.db2.gz	ZSIWVMOJQDSNQK-JKSUJKDBSA-N	1	0	351.491	1.559	20	30		FDEDRO
CCS(=O)(=O)N1CC(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1	ZINC000514636324	689745866	/nfs/dbraw/zinc/74/58/66/689745866.db2.gz	YFNSIZRTOKHMIE-UHFFFAOYSA-N	1	0	361.389	1.948	20	30		FDEDRO
CC[NH+](CC)CCS(=O)(=O)N(CCOC)Cc1ccc(C#N)cc1	ZINC000515334015	689842460	/nfs/dbraw/zinc/84/24/60/689842460.db2.gz	MVXNDJXPQKCWSR-UHFFFAOYSA-N	1	0	353.488	1.678	20	30		FDEDRO
CC[NH+](CC)CCOc1ccc(CNS(=O)(=O)N(C)CCC#N)cc1	ZINC000515734662	689890344	/nfs/dbraw/zinc/89/03/44/689890344.db2.gz	HGNBAMFTSMHJLM-UHFFFAOYSA-N	1	0	368.503	1.587	20	30		FDEDRO
CCOC(=O)C[C@](C)([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C(C)C	ZINC000516210118	689930878	/nfs/dbraw/zinc/93/08/78/689930878.db2.gz	AMLCKQINJSRRNO-KRWDZBQOSA-N	1	0	367.471	1.684	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000516541382	689961890	/nfs/dbraw/zinc/96/18/90/689961890.db2.gz	MXDHUFAWPHWQPR-OLMNPRSZSA-N	1	0	366.483	1.702	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N(CC[C@@H]2CC[NH2+]C2)C[C@H]2CCCO2)cc1	ZINC000516862226	689998689	/nfs/dbraw/zinc/99/86/89/689998689.db2.gz	QCLPWCFNHAIMBA-DLBZAZTESA-N	1	0	363.483	1.728	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]1	ZINC000517226750	690046678	/nfs/dbraw/zinc/04/66/78/690046678.db2.gz	WVTVPEFKSVXHMJ-HIFRSBDPSA-N	1	0	364.427	1.762	20	30		FDEDRO
N#CC1(CS(=O)(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CCC1	ZINC000517438872	690066742	/nfs/dbraw/zinc/06/67/42/690066742.db2.gz	NVNMZKUASVFFPC-UHFFFAOYSA-N	1	0	355.504	1.444	20	30		FDEDRO
CSc1nc(C2CC2)cc(C(=O)NC[C@H]2C[N@H+](C)CCN2C)c1C#N	ZINC000520376586	690314427	/nfs/dbraw/zinc/31/44/27/690314427.db2.gz	GQBNRTMVQAKRHW-ZDUSSCGKSA-N	1	0	359.499	1.528	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)nc2)CC1	ZINC000520778110	690356259	/nfs/dbraw/zinc/35/62/59/690356259.db2.gz	YIZSXUFNENUWHC-UHFFFAOYSA-N	1	0	352.460	1.121	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1	ZINC000525618665	694631159	/nfs/dbraw/zinc/63/11/59/694631159.db2.gz	ZKFOOCBKCXKYOY-ZFWWWQNUSA-N	1	0	351.472	1.363	20	30		FDEDRO
C=CCCCCCNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000641830224	696227219	/nfs/dbraw/zinc/22/72/19/696227219.db2.gz	AWGNOOPTADZNIU-SFHVURJKSA-N	1	0	352.523	1.829	20	30		FDEDRO
N#C[C@@H](c1ccc(N2CCN3CC[NH2+]C[C@@H]3C2)nn1)c1ccccc1F	ZINC001164398659	718836109	/nfs/dbraw/zinc/83/61/09/718836109.db2.gz	IYLVHHFAHAMXII-GDBMZVCRSA-N	1	0	352.417	1.365	20	30		FDEDRO
COc1cc(C(F)(F)N2CCN3CC[NH2+]C[C@@H]3C2)c(C#N)c(Cl)n1	ZINC001164399390	718836186	/nfs/dbraw/zinc/83/61/86/718836186.db2.gz	VCLVPZHFMSBZSY-SNVBAGLBSA-N	1	0	357.792	1.254	20	30		FDEDRO
N#Cc1cc(Cl)nc(C(F)(F)N2CCCO[C@@]3(C[NH2+]CCOC3)C2)c1	ZINC001164426255	718914252	/nfs/dbraw/zinc/91/42/52/718914252.db2.gz	YUFJDVJRFHNGMU-HNNXBMFYSA-N	1	0	372.803	1.737	20	30		FDEDRO
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1ccnc(Cl)c1C#N	ZINC001164618181	719013020	/nfs/dbraw/zinc/01/30/20/719013020.db2.gz	QOIBDDSZKYZZCF-TVYUQYBPSA-N	1	0	370.787	1.881	20	30		FDEDRO
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)c(C#N)c1	ZINC001164617820	719014697	/nfs/dbraw/zinc/01/46/97/719014697.db2.gz	QAXLRDICHWGQRD-DRZSPHRISA-N	1	0	370.787	1.881	20	30		FDEDRO
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(CC#N)ccn1)CCC2	ZINC001164812881	720231154	/nfs/dbraw/zinc/23/11/54/720231154.db2.gz	JRYSNOOWRLDBBV-UHFFFAOYSA-N	1	0	366.469	1.955	20	30		FDEDRO
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nccnc2C#N)CC1	ZINC001164819161	720290492	/nfs/dbraw/zinc/29/04/92/720290492.db2.gz	CMWKTFNWEHHEMX-DLBZAZTESA-N	1	0	354.458	1.260	20	30		FDEDRO
N#Cc1ccc2ncnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1	ZINC001164739641	720645165	/nfs/dbraw/zinc/64/51/65/720645165.db2.gz	GHDICYVYHYOSSF-HZPDHXFCSA-N	1	0	373.420	1.633	20	30		FDEDRO
N#Cc1cnc(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164745719	720650626	/nfs/dbraw/zinc/65/06/26/720650626.db2.gz	VVJJYXXIHRQZJY-CHWSQXEVSA-N	1	0	357.805	1.134	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3cc(Cl)ncc3C#N)CC[C@@H]2C1	ZINC001164851888	720836685	/nfs/dbraw/zinc/83/66/85/720836685.db2.gz	IUHOWKNAPURDPM-CZUORRHYSA-N	1	0	350.850	1.780	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3ncc(Cl)nc3C#N)CC[C@H]2C1	ZINC001164852820	720840978	/nfs/dbraw/zinc/84/09/78/720840978.db2.gz	LNASRWIPNBYXHK-JSGCOSHPSA-N	1	0	351.838	1.175	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])cc3C#N)CC[C@@H]2C1	ZINC001164854716	720850332	/nfs/dbraw/zinc/85/03/32/720850332.db2.gz	RKUZMGHVRRUVOE-CZUORRHYSA-N	1	0	361.402	1.035	20	30		FDEDRO
COc1cc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)ncc1C#N	ZINC001164765308	721074577	/nfs/dbraw/zinc/07/45/77/721074577.db2.gz	IWZLGJQABVZWKF-RDJZCZTQSA-N	1	0	352.442	1.654	20	30		FDEDRO
CCOC(=O)c1cc(C)nc(N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1C#N	ZINC001164928081	721856812	/nfs/dbraw/zinc/85/68/12/721856812.db2.gz	NGGRUFXGLNKSRR-ZWKOTPCHSA-N	1	0	371.485	1.653	20	30		FDEDRO
N#Cc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cn1	ZINC001164982291	722104389	/nfs/dbraw/zinc/10/43/89/722104389.db2.gz	NDNNVVQNENDCNB-SJLPKXTDSA-N	1	0	350.426	1.471	20	30		FDEDRO
C=C(Br)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H]2C1	ZINC000978551961	805584855	/nfs/dbraw/zinc/58/48/55/805584855.db2.gz	DYNFISNQEXXFLU-LXJQRNLTSA-N	1	0	367.287	1.612	20	30		FDEDRO
Cc1cncc(CCC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)c1	ZINC001104405907	782347257	/nfs/dbraw/zinc/34/72/57/782347257.db2.gz	TVCVMJIBJKRECA-SJLPKXTDSA-N	1	0	371.485	1.037	20	30		FDEDRO
C=CCCn1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)nn1	ZINC000657372874	782365026	/nfs/dbraw/zinc/36/50/26/782365026.db2.gz	ZNODTGYRKYLXBR-QUCCMNQESA-N	1	0	355.486	1.827	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CCN(C(=O)NCCC2CC[NH2+]CC2)CC1	ZINC000892233329	782396682	/nfs/dbraw/zinc/39/66/82/782396682.db2.gz	OEDXAMFJQCBVLX-UHFFFAOYSA-N	1	0	359.449	1.919	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21)[NH+]1CCCCCC1	ZINC000972137411	782439872	/nfs/dbraw/zinc/43/98/72/782439872.db2.gz	GRKZYHYYZQYHPD-QXAKKESOSA-N	1	0	357.498	1.724	20	30		FDEDRO
C/C(=C/C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC#N)C1)C1CC1	ZINC001211543424	782650801	/nfs/dbraw/zinc/65/08/01/782650801.db2.gz	FXXIEGIRIGDYCU-GYVFVFFDSA-N	1	0	366.465	1.567	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1ccc(OCC(=O)OC)cc1	ZINC000274493805	768819721	/nfs/dbraw/zinc/81/97/21/768819721.db2.gz	SZBRDFMJHSMEFU-HUUCEWRRSA-N	1	0	361.442	1.897	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NC[C@H]2CCN2C(=O)OC(C)(C)C)C1	ZINC000924036420	769110772	/nfs/dbraw/zinc/11/07/72/769110772.db2.gz	MWQGQXJUXFAJTI-HUUCEWRRSA-N	1	0	350.463	1.393	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]2C)nc1	ZINC001020440279	769704595	/nfs/dbraw/zinc/70/45/95/769704595.db2.gz	KESUJGRHPUUDRA-PCODUJHASA-N	1	0	368.481	1.512	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)COCCOC)C[C@H]2C)CCCC1	ZINC001211492942	769765418	/nfs/dbraw/zinc/76/54/18/769765418.db2.gz	QMSZKFIRKXLQEP-KZNAEPCWSA-N	1	0	368.518	1.583	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C)cc1	ZINC001020449956	769790332	/nfs/dbraw/zinc/79/03/32/769790332.db2.gz	NTMDDWXDPWPJMD-OHQAAIJDSA-N	1	0	353.466	1.727	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCO[C@@H]3C[N@H+](CC[C@@H]4CCCCO4)C[C@@H]32)c1	ZINC001083188280	769982368	/nfs/dbraw/zinc/98/23/68/769982368.db2.gz	MXGMRQRRYVHWMT-SLFFLAALSA-N	1	0	369.465	1.547	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cccc3nccn32)C[C@H]1C	ZINC001104412680	782803278	/nfs/dbraw/zinc/80/32/78/782803278.db2.gz	IDSHOCBBQYDXDE-HZPDHXFCSA-N	1	0	369.469	1.324	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(Cl)c[nH]2)C1	ZINC001111587850	782826191	/nfs/dbraw/zinc/82/61/91/782826191.db2.gz	LOKBZKKKFJOPDS-VBHSOAQHSA-N	1	0	364.877	1.943	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1c1ccccc1	ZINC001211546192	782879122	/nfs/dbraw/zinc/87/91/22/782879122.db2.gz	ZQGYMVKEYTUVAU-BPQIPLTHSA-N	1	0	364.511	1.970	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cc(CC)ccn2)C[C@H]1C	ZINC001104230118	771202370	/nfs/dbraw/zinc/20/23/70/771202370.db2.gz	HXISWWYHQKIMEO-SOLBZPMBSA-N	1	0	370.497	1.470	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NCc2csc(NC(C)=O)n2)C1	ZINC000970017212	771205185	/nfs/dbraw/zinc/20/51/85/771205185.db2.gz	OVRPCKUNHICWTO-YUELXQCFSA-N	1	0	364.471	1.383	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc(C)n2CC)C1	ZINC001020715894	771292346	/nfs/dbraw/zinc/29/23/46/771292346.db2.gz	MRKPYYQIOJWLLB-OVWQWFNUSA-N	1	0	361.490	1.715	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc(C)n2C2CC2)C1	ZINC001020726777	771304441	/nfs/dbraw/zinc/30/44/41/771304441.db2.gz	WSNOISQVLIGRRD-DNUAJFIVSA-N	1	0	359.474	1.639	20	30		FDEDRO
Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]CC(=O)NC1(C#N)CCCCC1	ZINC000275278516	771457749	/nfs/dbraw/zinc/45/77/49/771457749.db2.gz	KBGHCSHFDILWGG-YJBOKZPZSA-N	1	0	359.474	1.799	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C	ZINC000430393942	771763605	/nfs/dbraw/zinc/76/36/05/771763605.db2.gz	MZBNBZOZTBPVFB-ZJPYXAASSA-N	1	0	363.502	1.558	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(CCn3nc(C)cc3C)C[C@@H]21	ZINC001083198620	771825956	/nfs/dbraw/zinc/82/59/56/771825956.db2.gz	HPIGMRXYMVNCDV-YDZRNGNQSA-N	1	0	374.485	1.003	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)N[C@@H](C)C2CC2)CC1	ZINC001167277498	771856324	/nfs/dbraw/zinc/85/63/24/771856324.db2.gz	MBTAYNUUZZKHDD-UAGQMJEPSA-N	1	0	363.502	1.368	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnc3[nH]cnc3c2)C[C@H]1C	ZINC001104249927	771995349	/nfs/dbraw/zinc/99/53/49/771995349.db2.gz	KEHMPOLKJFWMPO-HUUCEWRRSA-N	1	0	355.442	1.296	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCn2cc(Cl)cn2)C1	ZINC000970242169	772185201	/nfs/dbraw/zinc/18/52/01/772185201.db2.gz	VDRAUVYWOCQVCW-PMPSAXMXSA-N	1	0	352.866	1.708	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)C[C@H]1C	ZINC001104259205	772511745	/nfs/dbraw/zinc/51/17/45/772511745.db2.gz	CMBSWQXXAOSAPJ-FVQBIDKESA-N	1	0	371.909	1.308	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1	ZINC001104261202	772517703	/nfs/dbraw/zinc/51/77/03/772517703.db2.gz	MORCYWSMOHNNJI-ATZDWAIDSA-N	1	0	368.481	1.611	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@@H]2O)C1	ZINC000970399286	772559904	/nfs/dbraw/zinc/55/99/04/772559904.db2.gz	YANLUDSYJVFFEU-ZACQAIPSSA-N	1	0	363.502	1.294	20	30		FDEDRO
C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1	ZINC000970420074	772583849	/nfs/dbraw/zinc/58/38/49/772583849.db2.gz	KWQGGWHUVQBYFX-BPQIPLTHSA-N	1	0	363.502	1.559	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1	ZINC000890985069	772639882	/nfs/dbraw/zinc/63/98/82/772639882.db2.gz	REHNZQORAVHVOH-HNNXBMFYSA-N	1	0	363.421	1.938	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cn(C(C)(C)C)nn2)C[C@H]1C	ZINC001104272258	772707505	/nfs/dbraw/zinc/70/75/05/772707505.db2.gz	VIJVOZOMKYMBKZ-HZPDHXFCSA-N	1	0	361.490	1.371	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccnc3ccnn32)C[C@H]1C	ZINC001104283813	772827989	/nfs/dbraw/zinc/82/79/89/772827989.db2.gz	BNOXEFIORAGPKE-HZPDHXFCSA-N	1	0	355.442	1.067	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1	ZINC000275690954	773200112	/nfs/dbraw/zinc/20/01/12/773200112.db2.gz	IKKVXTTVVOUSEN-HXUWFJFHSA-N	1	0	361.486	1.823	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1	ZINC001021403557	773205211	/nfs/dbraw/zinc/20/52/11/773205211.db2.gz	VXMGHUXFFNBOFX-YXJHDRRASA-N	1	0	369.469	1.434	20	30		FDEDRO
C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1	ZINC000275690510	773205752	/nfs/dbraw/zinc/20/57/52/773205752.db2.gz	MMNJVCFGHFRLFC-OAHLLOKOSA-N	1	0	374.510	1.834	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CCC=C)C[C@H]1c1ccccc1	ZINC001211549897	783083347	/nfs/dbraw/zinc/08/33/47/783083347.db2.gz	MVTYCMFTXKBIAR-YTQUADARSA-N	1	0	353.466	1.675	20	30		FDEDRO
C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#C[C@H]1CCCCO1	ZINC000891111518	773292981	/nfs/dbraw/zinc/29/29/81/773292981.db2.gz	AUWISEPXNFFHIA-CVEARBPZSA-N	1	0	367.490	1.520	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1	ZINC001021425971	773303450	/nfs/dbraw/zinc/30/34/50/773303450.db2.gz	HXDWMZDDEUDQEC-IAOVAPTHSA-N	1	0	355.442	1.044	20	30		FDEDRO
CC1CC[NH+](CC(=O)N2C[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)CC1	ZINC001021428698	773310089	/nfs/dbraw/zinc/31/00/89/773310089.db2.gz	XIIKLJQFHDULJG-MAUKXSAKSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[NH2+][C@@H](C(C)C)C2)c1	ZINC000647256604	783089657	/nfs/dbraw/zinc/08/96/57/783089657.db2.gz	YZPJMBMSGBSYBO-MRXNPFEDSA-N	1	0	351.472	1.221	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(CN=[S@@](C)(=O)N(C)C)CC2)CC1	ZINC000891143066	773403689	/nfs/dbraw/zinc/40/36/89/773403689.db2.gz	DUJVUZRXCISVJS-RUZDIDTESA-N	1	0	368.547	1.145	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)CN3c4ccccc4CC3=O)[C@H]2C1	ZINC001083206263	773548437	/nfs/dbraw/zinc/54/84/37/773548437.db2.gz	QEWAUGHCLMDZCV-ZWKOTPCHSA-N	1	0	355.438	1.063	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCO[C@H](c3cncn3C)C2)CC1	ZINC000275756899	773632310	/nfs/dbraw/zinc/63/23/10/773632310.db2.gz	ZJSWFFBUTSQFIK-WMZOPIPTSA-N	1	0	361.490	1.980	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CCCS1(=O)=O)C2	ZINC001112493747	773923553	/nfs/dbraw/zinc/92/35/53/773923553.db2.gz	CVBSRDCPOPAAFZ-JZXOWHBKSA-N	1	0	354.516	1.748	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)C1	ZINC001021591907	774127039	/nfs/dbraw/zinc/12/70/39/774127039.db2.gz	YDYJXOPSWLBTDV-GBESFXJTSA-N	1	0	357.498	1.437	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C)co1)C2	ZINC001112513078	783160888	/nfs/dbraw/zinc/16/08/88/783160888.db2.gz	INHGPKQERKGQTN-GUXCAODWSA-N	1	0	357.454	1.558	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cnc(C3CC3)o2)C[C@H]1C	ZINC001104304445	774417838	/nfs/dbraw/zinc/41/78/38/774417838.db2.gz	JOLUXUHJQJMNEW-UKRRQHHQSA-N	1	0	360.458	1.542	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnc(C)o2)C1	ZINC001104306293	774443374	/nfs/dbraw/zinc/44/33/74/774443374.db2.gz	WCOQFBFIKHPPMR-SUMDDJOVSA-N	1	0	358.486	1.655	20	30		FDEDRO
C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C[C@H]1C	ZINC001104307602	774458061	/nfs/dbraw/zinc/45/80/61/774458061.db2.gz	BQSUMPQPUDMELN-BRSBDYLESA-N	1	0	358.486	1.595	20	30		FDEDRO
C#CCC[NH2+]CC1(CCNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1	ZINC001167426277	774584667	/nfs/dbraw/zinc/58/46/67/774584667.db2.gz	QBIBDCKDUKRQHR-PKOBYXMFSA-N	1	0	368.481	1.500	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc2c(c1)nnn2C	ZINC001087136492	774675692	/nfs/dbraw/zinc/67/56/92/774675692.db2.gz	VZRGQJIUPFSTOJ-FMKPAKJESA-N	1	0	354.458	1.845	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1C#N	ZINC000275952602	774743797	/nfs/dbraw/zinc/74/37/97/774743797.db2.gz	ZXIWLOHMQZTCDO-ZWKOTPCHSA-N	1	0	370.453	1.299	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc1F	ZINC000275946615	774747878	/nfs/dbraw/zinc/74/78/78/774747878.db2.gz	YNEFAPJTFFNZKZ-IRXDYDNUSA-N	1	0	374.416	1.130	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NC)C1	ZINC001104731673	790392500	/nfs/dbraw/zinc/39/25/00/790392500.db2.gz	RPCCYEPTPJKNSM-ZIAGYGMSSA-N	1	0	352.479	1.119	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnc3c(c1)c(C)nn3C)C2	ZINC001112503247	776101656	/nfs/dbraw/zinc/10/16/56/776101656.db2.gz	GMQQCBOXPPVCIH-JXFKEZNVSA-N	1	0	351.454	1.742	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@H](C)C4CCC4)C[C@H]32)CC1	ZINC001021886567	776501507	/nfs/dbraw/zinc/50/15/07/776501507.db2.gz	FWIVWFKPRWNLLJ-LSTHTHJFSA-N	1	0	371.525	1.827	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cncc(OC)c2C)C[C@H]1C	ZINC001104352418	776615342	/nfs/dbraw/zinc/61/53/42/776615342.db2.gz	VBFSEIJPEDCDFV-NVXWUHKLSA-N	1	0	359.470	1.736	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1	ZINC000510429235	776912288	/nfs/dbraw/zinc/91/22/88/776912288.db2.gz	VESMFGRITWONGN-KRWDZBQOSA-N	1	0	359.470	1.620	20	30		FDEDRO
C[C@@]1(C2CC2)NC(=O)N(c2ccc(CNC(=[NH2+])N3CCOCC3)cc2)C1=O	ZINC000261909191	776962720	/nfs/dbraw/zinc/96/27/20/776962720.db2.gz	XUNZHBFDOJXIHP-IBGZPJMESA-N	1	0	371.441	1.058	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H]2COC(=O)N2)C1	ZINC001075421236	777066861	/nfs/dbraw/zinc/06/68/61/777066861.db2.gz	UPIZQJJPQPZFFJ-DJIMGWMZSA-N	1	0	361.417	1.642	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21	ZINC001022010194	777070229	/nfs/dbraw/zinc/07/02/29/777070229.db2.gz	KJQMTGIUUXYQQM-JCGIZDLHSA-N	1	0	369.469	1.434	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cnnc(C)c2)C1=O	ZINC001087156575	777074530	/nfs/dbraw/zinc/07/45/30/777074530.db2.gz	PBYZVCDLGTUXQB-JLSDUUJJSA-N	1	0	371.485	1.402	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCC)C2)C[C@H]1C	ZINC001104737569	790506692	/nfs/dbraw/zinc/50/66/92/790506692.db2.gz	JXABZXBXZQYTGG-KURKYZTESA-N	1	0	365.518	1.522	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2ccccc2)C[C@H]1C	ZINC001104358715	777083056	/nfs/dbraw/zinc/08/30/56/777083056.db2.gz	HAXBKWOSSBRHGG-ZHALLVOQSA-N	1	0	355.482	1.441	20	30		FDEDRO
N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccco2)C[C@H]1c1ccccc1	ZINC001211516796	777582216	/nfs/dbraw/zinc/58/22/16/777582216.db2.gz	HPNZBDJFGZWRQH-JKSUJKDBSA-N	1	0	352.394	1.117	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCc2cnn(CC)c2)C1	ZINC000971559420	777616893	/nfs/dbraw/zinc/61/68/93/777616893.db2.gz	WHXNGHJGZAJREX-OTWHNJEPSA-N	1	0	360.502	1.959	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1	ZINC000971567185	777673721	/nfs/dbraw/zinc/67/37/21/777673721.db2.gz	GEFDBPLBQPLOFS-VAMGGRTRSA-N	1	0	365.477	1.364	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)CCC4CC4)[C@@H]3C2)CC1	ZINC000971596051	777795444	/nfs/dbraw/zinc/79/54/44/777795444.db2.gz	KORVASVFSPDXCA-RTBURBONSA-N	1	0	357.498	1.581	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)o1	ZINC000276520617	777892168	/nfs/dbraw/zinc/89/21/68/777892168.db2.gz	COTIHSNBIXVBJP-NVXWUHKLSA-N	1	0	357.458	1.814	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H]2CCS(=O)(=O)C2)C1	ZINC001022100031	777920840	/nfs/dbraw/zinc/92/08/40/777920840.db2.gz	XBGBTBPUAKDTCG-SIRPWMCASA-N	1	0	370.515	1.029	20	30		FDEDRO
C=C(C)CN1C[C@H]2OCCN(C(=O)Cc3noc4ccc(F)cc34)[C@H]2C1	ZINC001083221848	777966325	/nfs/dbraw/zinc/96/63/25/777966325.db2.gz	UXTMSNDGVOKBTP-FUHWJXTLSA-N	1	0	359.401	1.997	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C#CC2CC2)[C@H](C[NH2+][C@H]2CCN(C3CCC3)C2=O)C1	ZINC001087164845	778106849	/nfs/dbraw/zinc/10/68/49/778106849.db2.gz	RVMPAILODNRTMC-MNEFBYGVSA-N	1	0	357.498	1.770	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N[C@]34CCC[C@H]3[NH2+]CC4)CC2)nc1	ZINC000891501042	778153012	/nfs/dbraw/zinc/15/30/12/778153012.db2.gz	YCVMRBJUENURAM-APWZRJJASA-N	1	0	354.458	1.506	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C)(C)c2cccnc2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104372286	778270320	/nfs/dbraw/zinc/27/03/20/778270320.db2.gz	WXAJIAZQBPGYJB-HZPDHXFCSA-N	1	0	371.485	1.073	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]3C2)cc1	ZINC001022223277	778708766	/nfs/dbraw/zinc/70/87/66/778708766.db2.gz	AXKLRDLDGIQKMP-GBESFXJTSA-N	1	0	353.466	1.681	20	30		FDEDRO
C[C@@H]1CCN(C(=O)Cn2nccn2)[C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC001087171361	779171576	/nfs/dbraw/zinc/17/15/76/779171576.db2.gz	JIRGXJLZHBEWSA-PBHICJAKSA-N	1	0	370.432	1.706	20	30		FDEDRO
C[C@@H]1CCN(C(=O)Cn2nccn2)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087171325	779178818	/nfs/dbraw/zinc/17/88/18/779178818.db2.gz	HWWPGICHFCUHOB-QAPCUYQASA-N	1	0	352.442	1.567	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4cccn4)c3)[C@H]2C1	ZINC001083224795	779219415	/nfs/dbraw/zinc/21/94/15/779219415.db2.gz	QPSAFUYPEUTJGI-RBUKOAKNSA-N	1	0	350.422	1.421	20	30		FDEDRO
C[NH2+]C[C@H]1CCCCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000891764432	779303227	/nfs/dbraw/zinc/30/32/27/779303227.db2.gz	IRAZWOCMOKKESX-QZTJIDSGSA-N	1	0	369.469	1.837	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2C=CCC2)C[C@H]1c1ccccc1	ZINC001211524679	779340356	/nfs/dbraw/zinc/34/03/56/779340356.db2.gz	WBTCNGNZWVGLQE-YZGWKJHDSA-N	1	0	365.477	1.676	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)CC1	ZINC000328981367	779660376	/nfs/dbraw/zinc/66/03/76/779660376.db2.gz	DPDALNZGVKECJF-OAHLLOKOSA-N	1	0	365.522	1.898	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1c1ccccc1	ZINC001211526483	779967218	/nfs/dbraw/zinc/96/72/18/779967218.db2.gz	JWGPSORZRSOZHO-VDZJLULYSA-N	1	0	366.465	1.903	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(=O)NCC)C1	ZINC001112508234	780205621	/nfs/dbraw/zinc/20/56/21/780205621.db2.gz	VOIJXRDUDWUJIQ-LIRRHRJNSA-N	1	0	364.490	1.263	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cccnc2C2CC2)C[C@H]1C	ZINC001104387226	780219522	/nfs/dbraw/zinc/21/95/22/780219522.db2.gz	MEMKCZQCHMCFMB-NVXWUHKLSA-N	1	0	370.497	1.949	20	30		FDEDRO
N#CCC1(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC1	ZINC000431200574	780391070	/nfs/dbraw/zinc/39/10/70/780391070.db2.gz	ZXOKRHRPYGTCLH-MSOLQXFVSA-N	1	0	356.470	1.862	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cncn2C)C1=O	ZINC001087186905	780479454	/nfs/dbraw/zinc/47/94/54/780479454.db2.gz	LUCXUGRXNAWICF-OWCLPIDISA-N	1	0	359.474	1.037	20	30		FDEDRO
COC(=O)C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C(C)(C)C	ZINC000934032375	780650674	/nfs/dbraw/zinc/65/06/74/780650674.db2.gz	XUGYFPPISSMGDB-OAHLLOKOSA-N	1	0	352.456	1.899	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC(C)(C)C)C[C@H]1c1ccccc1	ZINC001211529988	780718001	/nfs/dbraw/zinc/71/80/01/780718001.db2.gz	DSHKEZNOJGDBHL-ZWKOTPCHSA-N	1	0	355.482	1.756	20	30		FDEDRO
N#Cc1ccccc1N1CCC(NC(=O)NCCCN2CC[NH2+]CC2)CC1	ZINC000891968925	780895340	/nfs/dbraw/zinc/89/53/40/780895340.db2.gz	RHFUCQWXEWIWCH-UHFFFAOYSA-N	1	0	370.501	1.122	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)CC1	ZINC000277192533	781069202	/nfs/dbraw/zinc/06/92/02/781069202.db2.gz	WAHWZOKFXGEZGE-HNNXBMFYSA-N	1	0	358.442	1.838	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(-c4nc[nH]n4)cc3)[C@H]2C1	ZINC001083239368	781774634	/nfs/dbraw/zinc/77/46/34/781774634.db2.gz	PZFLWYJRBRMZJS-DLBZAZTESA-N	1	0	351.410	1.020	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccccc2OCC(N)=O)C[C@H]1C	ZINC001104400703	781851190	/nfs/dbraw/zinc/85/11/90/781851190.db2.gz	WKGMJLKIYDFSOS-HZPDHXFCSA-N	1	0	359.470	1.815	20	30		FDEDRO
C[NH+]=C(NCc1ccnc(C)n1)N[C@H]1CCN(c2ccccc2OC)C1	ZINC000158690054	783249072	/nfs/dbraw/zinc/24/90/72/783249072.db2.gz	ISFTVRPUUHNQRV-INIZCTEOSA-N	1	0	354.458	1.738	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4CC)[C@@H]3C2)CC1	ZINC001022798675	783313770	/nfs/dbraw/zinc/31/37/70/783313770.db2.gz	YHDYEUSETATHPV-QXCFHYIPSA-N	1	0	357.498	1.437	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)COC)C[C@H]1c1ccccc1	ZINC001211554569	783407009	/nfs/dbraw/zinc/40/70/09/783407009.db2.gz	CZUFFNUSVVNVGY-BPQIPLTHSA-N	1	0	359.470	1.155	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3ccccc3C(N)=O)[C@H]2C1	ZINC001083247982	783425992	/nfs/dbraw/zinc/42/59/92/783425992.db2.gz	MSSUNLCLXGULAC-RBUKOAKNSA-N	1	0	371.481	1.596	20	30		FDEDRO
N#Cc1ccccc1CN1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1	ZINC001083249447	783504341	/nfs/dbraw/zinc/50/43/41/783504341.db2.gz	FUAWUVGWZKCJNH-RBUKOAKNSA-N	1	0	366.465	1.066	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3cnc(C)n3C1)C2	ZINC001112518409	783630650	/nfs/dbraw/zinc/63/06/50/783630650.db2.gz	HVRCWTQXNJUBLT-LQWHRVPQSA-N	1	0	354.498	1.996	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3cc(C)[nH]c3C)C[C@H]21	ZINC000972834941	783901954	/nfs/dbraw/zinc/90/19/54/783901954.db2.gz	JVEGKFPZXYMNQI-NZSAHSFTSA-N	1	0	368.481	1.402	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=O)NC2CC([NH+]3CCCCC3)C2)c1	ZINC000377069116	791025260	/nfs/dbraw/zinc/02/52/60/791025260.db2.gz	VOPWJSMTMTWDNP-UHFFFAOYSA-N	1	0	354.454	1.923	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1	ZINC000658633561	784739605	/nfs/dbraw/zinc/73/96/05/784739605.db2.gz	FOFZRQVPPCPZBY-GOSISDBHSA-N	1	0	359.470	1.428	20	30		FDEDRO
CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccnn1CC	ZINC001024486675	784875465	/nfs/dbraw/zinc/87/54/65/784875465.db2.gz	FMRKAILLKWUZEZ-YQVWRLOYSA-N	1	0	358.486	1.975	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@H]1c1ccccc1	ZINC001211631886	784932243	/nfs/dbraw/zinc/93/22/43/784932243.db2.gz	UHRPIOPAZFGYQG-CEXWTWQISA-N	1	0	370.497	1.937	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3nnnn3c2)C[C@H]1c1ccccc1	ZINC001211633230	785116407	/nfs/dbraw/zinc/11/64/07/785116407.db2.gz	UOJQAJYUMIHKBK-ZWKOTPCHSA-N	1	0	360.421	1.345	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4sccc4C)[C@@H]3C2)C1=O	ZINC001075494708	785157783	/nfs/dbraw/zinc/15/77/83/785157783.db2.gz	QQDPUTSVOAEFHK-ARFHVFGLSA-N	1	0	359.495	1.990	20	30		FDEDRO
COC(=O)[C@H]1C[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1	ZINC000413789325	785390468	/nfs/dbraw/zinc/39/04/68/785390468.db2.gz	ARITYFTXESQOBO-HDICACEKSA-N	1	0	370.453	1.727	20	30		FDEDRO
N#Cc1ccc(C2(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)CC2)cc1	ZINC000365385496	785442380	/nfs/dbraw/zinc/44/23/80/785442380.db2.gz	OAPFNQHBAMSHAJ-LJQANCHMSA-N	1	0	368.481	1.113	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2CCN(c3snc(Cl)c3C#N)C2)O1	ZINC001058588235	785522119	/nfs/dbraw/zinc/52/21/19/785522119.db2.gz	VGQAAANOJWNEEJ-JFGNBEQYSA-N	1	0	369.878	1.082	20	30		FDEDRO
C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1	ZINC001024650335	785617387	/nfs/dbraw/zinc/61/73/87/785617387.db2.gz	AJHNJJILRZKIPJ-ZACQAIPSSA-N	1	0	351.491	1.559	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1c(C)nnn1CC	ZINC001024661543	785651782	/nfs/dbraw/zinc/65/17/82/785651782.db2.gz	IDYCSKQQFYUFGR-NUJGCVRESA-N	1	0	361.490	1.668	20	30		FDEDRO
N#CCc1ccc(C(=O)N2CCN(CC[N@@H+]3CCCOCC3)CC2)cc1	ZINC000376049634	785674410	/nfs/dbraw/zinc/67/44/10/785674410.db2.gz	FAAOYKWZGRCFSI-UHFFFAOYSA-N	1	0	356.470	1.233	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1	ZINC000978668796	805652538	/nfs/dbraw/zinc/65/25/38/805652538.db2.gz	QWMHAWIMOLVCTH-RZFLPCETSA-N	1	0	363.502	1.463	20	30		FDEDRO
N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC23CCC3)C[C@H]1c1ccccc1	ZINC001211682085	805657659	/nfs/dbraw/zinc/65/76/59/805657659.db2.gz	JHDBDQPBNUVHNP-RCCFBDPRSA-N	1	0	366.465	1.401	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1	ZINC001024863530	786656375	/nfs/dbraw/zinc/65/63/75/786656375.db2.gz	FBWWCCMORHXBAO-MDZRGWNJSA-N	1	0	356.426	1.238	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1c1ccccc1	ZINC001211637454	786685664	/nfs/dbraw/zinc/68/56/64/786685664.db2.gz	OEBWIXOURJCRHL-ZWKOTPCHSA-N	1	0	366.465	1.944	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)[C@@H]3C2)cc1	ZINC000978751761	805730285	/nfs/dbraw/zinc/73/02/85/805730285.db2.gz	BTQUNJYXPGEJAT-YRYYUTHUSA-N	1	0	351.450	1.920	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cnns1	ZINC001024966819	786996002	/nfs/dbraw/zinc/99/60/02/786996002.db2.gz	ITMPKAHANDNFMC-BMFZPTHFSA-N	1	0	350.488	1.990	20	30		FDEDRO
C[N@@H+]1CC[C@H](NC(=O)NCCn2cnc(C#N)n2)[C@@H]1c1ccc(F)cc1	ZINC000376249646	787004203	/nfs/dbraw/zinc/00/42/03/787004203.db2.gz	JQPRJPQEXWJRSP-HOCLYGCPSA-N	1	0	357.393	1.033	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1C#N	ZINC001024989428	787072380	/nfs/dbraw/zinc/07/23/80/787072380.db2.gz	KYVTZHWZBGCZAQ-IPELMVKDSA-N	1	0	357.454	1.833	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(N)=O)C1	ZINC001211639819	787187496	/nfs/dbraw/zinc/18/74/96/787187496.db2.gz	ILNMVLSBMBNWRO-QKLQHJQFSA-N	1	0	359.470	1.285	20	30		FDEDRO
CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1	ZINC000376323027	787278930	/nfs/dbraw/zinc/27/89/30/787278930.db2.gz	GCORJHQMCAHRDL-JZXOWHBKSA-N	1	0	362.426	1.340	20	30		FDEDRO
N#Cc1cnc2ccccc2c1N1CCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1	ZINC000892563518	787325897	/nfs/dbraw/zinc/32/58/97/787325897.db2.gz	XBJVBIHUBJUKPE-FZNQNYSPSA-N	1	0	364.453	1.675	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCNC(=O)CC2)C[C@H]1c1ccccc1	ZINC001211640576	787595240	/nfs/dbraw/zinc/59/52/40/787595240.db2.gz	YVWBHXBEBGRVFA-CEXWTWQISA-N	1	0	353.466	1.510	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NCC)C1	ZINC001104552614	787744009	/nfs/dbraw/zinc/74/40/09/787744009.db2.gz	LHMOJDFKRLRSJM-HZPDHXFCSA-N	1	0	364.490	1.100	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)C[C@H]1C	ZINC001104573133	788179155	/nfs/dbraw/zinc/17/91/55/788179155.db2.gz	IYVBKORHKGJBIF-GPMSIDNRSA-N	1	0	351.491	1.180	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2nc(C)c[nH]2)C[C@H]1c1ccccc1	ZINC001211685744	805860400	/nfs/dbraw/zinc/86/04/00/805860400.db2.gz	HYFJBNBDZQAQLG-DLBZAZTESA-N	1	0	367.453	1.218	20	30		FDEDRO
C=CCn1cc(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)nn1	ZINC000648285898	788355251	/nfs/dbraw/zinc/35/52/51/788355251.db2.gz	QDNDWJVQTUHCLG-UHFFFAOYSA-N	1	0	368.441	1.542	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000973324061	788557218	/nfs/dbraw/zinc/55/72/18/788557218.db2.gz	VRYRRFPMEHDGFV-FRMKIJSPSA-N	1	0	363.502	1.461	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(CNC(C)=O)c3)[C@H]2C1	ZINC001083279694	788650645	/nfs/dbraw/zinc/65/06/45/788650645.db2.gz	LETQDMROAFDGPH-RBUKOAKNSA-N	1	0	357.454	1.424	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2nc(Cl)cs2)C[C@H]1C	ZINC001104584058	788715777	/nfs/dbraw/zinc/71/57/77/788715777.db2.gz	RQBCWKDRKJQVSX-VXGBXAGGSA-N	1	0	368.890	1.234	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)Cc2ncccc2OC)C[C@H]1C	ZINC001104585555	788720523	/nfs/dbraw/zinc/72/05/23/788720523.db2.gz	LGAXAZRRTPGEAV-IAGOWNOFSA-N	1	0	361.486	1.910	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCOCC2)C1	ZINC001104631144	789058540	/nfs/dbraw/zinc/05/85/40/789058540.db2.gz	BNOHKVRLIIIBAH-HLIPFELVSA-N	1	0	365.518	1.522	20	30		FDEDRO
C=CCNC(=O)c1ccc(N2CCC(CC[NH+]3CCOCC3)CC2)nc1	ZINC000376603545	789129256	/nfs/dbraw/zinc/12/92/56/789129256.db2.gz	CDDFYZOSQMYSFL-UHFFFAOYSA-N	1	0	358.486	1.936	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCCC)C2)c1	ZINC001104659061	789180757	/nfs/dbraw/zinc/18/07/57/789180757.db2.gz	BHSPJMHKWDFJPV-SJLPKXTDSA-N	1	0	370.497	1.667	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N[C@@H](C)CC)C2)c1	ZINC001104659616	789181753	/nfs/dbraw/zinc/18/17/53/789181753.db2.gz	PRPYQIDCZFHXQR-SOLBZPMBSA-N	1	0	370.497	1.665	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2occc2C)C[C@H]1C	ZINC001104660387	789211172	/nfs/dbraw/zinc/21/11/72/789211172.db2.gz	YOANHXURVLWMEW-IXDOHACOSA-N	1	0	361.486	1.895	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N(C)CC1CC1)C2	ZINC001112017989	789339048	/nfs/dbraw/zinc/33/90/48/789339048.db2.gz	WIBHMJAWXVJNOR-SYNHAJSKSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC[C@H]2CCCCO2)C[C@H]1C	ZINC001104744301	791188162	/nfs/dbraw/zinc/18/81/62/791188162.db2.gz	GBTFXMYYPIWODG-KZNAEPCWSA-N	1	0	363.502	1.159	20	30		FDEDRO
CC(C)[NH+]1CCN([C@H]2CCN(C(=O)NCCc3cccc(C#N)c3)C2)CC1	ZINC000377195838	791224569	/nfs/dbraw/zinc/22/45/69/791224569.db2.gz	GRPWCHNGOSDVHB-FQEVSTJZSA-N	1	0	369.513	1.911	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCOC[C@H]2C[C@H]2CCOC2)CC1	ZINC000892851533	791454357	/nfs/dbraw/zinc/45/43/57/791454357.db2.gz	LISXVFAZUCADSY-SJLPKXTDSA-N	1	0	351.491	1.864	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)COC2CCOCC2)C[C@H]1C	ZINC001104746254	791647063	/nfs/dbraw/zinc/64/70/63/791647063.db2.gz	AFEYAGJJHMUNGE-IAGOWNOFSA-N	1	0	354.491	1.459	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCS(=O)(=O)C2)C[C@H]1C	ZINC001104746332	791656648	/nfs/dbraw/zinc/65/66/48/791656648.db2.gz	DYPALVKPSGYDND-ZACQAIPSSA-N	1	0	356.532	1.852	20	30		FDEDRO
CCCc1c(NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)cnn1-c1cccc(C#N)c1	ZINC000415292252	791860332	/nfs/dbraw/zinc/86/03/32/791860332.db2.gz	IXIDCMITRZXUCX-CQSZACIVSA-N	1	0	366.425	1.195	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1	ZINC000892942900	791878450	/nfs/dbraw/zinc/87/84/50/791878450.db2.gz	BCVXKYCZRPJIRC-MOPGFXCFSA-N	1	0	372.469	1.752	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH2+]C)C2)cc1	ZINC000415372253	792120276	/nfs/dbraw/zinc/12/02/76/792120276.db2.gz	HITJLLPJSRXZPY-OAHLLOKOSA-N	1	0	359.430	1.143	20	30		FDEDRO
C[NH2+]C[C@@H]1CCCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1	ZINC000415469421	792320939	/nfs/dbraw/zinc/32/09/39/792320939.db2.gz	XIYAXPPUAMXTBN-AWEZNQCLSA-N	1	0	356.405	2.346	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@@H]2C(=O)NC[C@H]2C1	ZINC000377657710	792448326	/nfs/dbraw/zinc/44/83/26/792448326.db2.gz	VJQLCZJDPDKLTJ-JYJNAYRXSA-N	1	0	370.453	1.398	20	30		FDEDRO
N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1	ZINC000415539876	792471274	/nfs/dbraw/zinc/47/12/74/792471274.db2.gz	NFVXEZHUIGLQDL-CQSZACIVSA-N	1	0	365.393	1.538	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2	ZINC000415560644	792533295	/nfs/dbraw/zinc/53/32/95/792533295.db2.gz	VHOPDXWOSNXYDD-UHFFFAOYSA-N	1	0	357.458	1.655	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000377770801	792760496	/nfs/dbraw/zinc/76/04/96/792760496.db2.gz	QHVOXOXMHAUCNJ-ZWKOTPCHSA-N	1	0	356.470	1.452	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c1	ZINC000415727871	792888043	/nfs/dbraw/zinc/88/80/43/792888043.db2.gz	RDVJMWILJDVMDC-FQEVSTJZSA-N	1	0	370.453	1.910	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](Cc3ccccc3)OC)C[C@H]21	ZINC001026056852	793033414	/nfs/dbraw/zinc/03/34/14/793033414.db2.gz	GFPLENATWDHANH-AUYGFBLUSA-N	1	0	370.493	1.882	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc1	ZINC000415840752	793117166	/nfs/dbraw/zinc/11/71/66/793117166.db2.gz	GJGZKCQDCZMKBF-KBPBESRZSA-N	1	0	373.457	1.376	20	30		FDEDRO
O=C(NCCC[NH2+]C1CC1)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000415857265	793212202	/nfs/dbraw/zinc/21/22/02/793212202.db2.gz	HGQGHVJCRZKUHG-UHFFFAOYSA-N	1	0	362.433	1.678	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCO[C@@H]3CC3(F)F)C[C@H]21	ZINC001026096215	793284633	/nfs/dbraw/zinc/28/46/33/793284633.db2.gz	YORMWSLXURMUME-PFHJDOJBSA-N	1	0	370.440	1.828	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(Cl)cs2)C[C@H]1C	ZINC001104757787	793487589	/nfs/dbraw/zinc/48/75/89/793487589.db2.gz	MDNXAVIBLAMXED-CHWSQXEVSA-N	1	0	367.902	1.839	20	30		FDEDRO
C[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCCOC1)C(=O)Nc1ccccc1C#N	ZINC000378154189	793582928	/nfs/dbraw/zinc/58/29/28/793582928.db2.gz	LPFGWWJZGPCMCR-OXQOHEQNSA-N	1	0	372.469	1.356	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)Cn1nc2n(c1=O)CCCC2)C(C)C	ZINC000651333053	793696368	/nfs/dbraw/zinc/69/63/68/793696368.db2.gz	WHZWMJXWXVJCFA-INIZCTEOSA-N	1	0	361.490	1.196	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2csc(C)c2)C[C@H]1C	ZINC001104795566	793724798	/nfs/dbraw/zinc/72/47/98/793724798.db2.gz	TWXVWUNXYQHUNW-VNQPRFMTSA-N	1	0	361.511	1.882	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)c2c(C)n[nH]c2C)C[C@H]1C	ZINC001104802552	793773845	/nfs/dbraw/zinc/77/38/45/793773845.db2.gz	GPYSSGLIBKVOQB-IIDMSEBBSA-N	1	0	360.502	1.854	20	30		FDEDRO
CC(C)COCC[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@H]1C(F)(F)F	ZINC001112052878	793865213	/nfs/dbraw/zinc/86/52/13/793865213.db2.gz	HDEJBYTTXWIHMY-CHWSQXEVSA-N	1	0	367.437	1.895	20	30		FDEDRO
C[C@@H]1CN(CC(=O)Nc2cccc(C#N)c2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000378320130	793949409	/nfs/dbraw/zinc/94/94/09/793949409.db2.gz	PAJUIEJPEUDJJF-APWZRJJASA-N	1	0	355.486	1.455	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@]2(C)CCCOC2)C[C@H]1C	ZINC001104848524	794051268	/nfs/dbraw/zinc/05/12/68/794051268.db2.gz	MMKPKOCFBBDWFU-GPMSIDNRSA-N	1	0	351.491	1.180	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cn(CC3CC3)nn2)C[C@H]1C	ZINC001104849902	794072720	/nfs/dbraw/zinc/07/27/20/794072720.db2.gz	JWAHEZHBIKAPCF-NVXWUHKLSA-N	1	0	361.490	1.579	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cncc(OCCOC)c2)C[C@H]1C	ZINC001104855595	794075631	/nfs/dbraw/zinc/07/56/31/794075631.db2.gz	RTTKZACAFQUORP-IAGOWNOFSA-N	1	0	359.470	1.818	20	30		FDEDRO
CC[C@H](CC(C)C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104882739	794198524	/nfs/dbraw/zinc/19/85/24/794198524.db2.gz	JMWJKZHVNLKMRR-BRWVUGGUSA-N	1	0	350.507	1.773	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CCOCCCOC)C[C@H]1C	ZINC001104884298	794208341	/nfs/dbraw/zinc/20/83/41/794208341.db2.gz	STUQBZGYCHQAJT-QZTJIDSGSA-N	1	0	356.507	1.706	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@](C)(NC(C)=O)C2CC2)C[C@H]1C	ZINC001104896627	794279207	/nfs/dbraw/zinc/27/92/07/794279207.db2.gz	IGOOIZQWKGTFPW-MDYRTPRTSA-N	1	0	365.518	1.568	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H](C)N2CCCC2=O)C[C@H]1C	ZINC001104902454	794310230	/nfs/dbraw/zinc/31/02/30/794310230.db2.gz	TYFRUBIPQFTPPR-KZNAEPCWSA-N	1	0	363.502	1.111	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCc3cnn(C)c3)C2)nc1	ZINC001104924843	794422878	/nfs/dbraw/zinc/42/28/78/794422878.db2.gz	UCGSPLKQRVKLGS-VQIMIIECSA-N	1	0	365.481	1.727	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)N(C)C)C2)cn1	ZINC001104927475	794433901	/nfs/dbraw/zinc/43/39/01/794433901.db2.gz	FZSRLTRMDZMJJX-HLLBOEOZSA-N	1	0	356.470	1.227	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1CC[NH2+]CC#Cc1ccc(F)cc1	ZINC001104929308	794444107	/nfs/dbraw/zinc/44/41/07/794444107.db2.gz	NTRNFTRQLYJPAW-SUMDDJOVSA-N	1	0	371.456	1.530	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cn2nc(C)ccc2=O)C[C@H]1C	ZINC001104935548	794466083	/nfs/dbraw/zinc/46/60/83/794466083.db2.gz	XDQGPLHOLHJRLI-SOLBZPMBSA-N	1	0	360.502	1.981	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2(CCOC)CCC2)C[C@H]1C	ZINC001104952009	794534877	/nfs/dbraw/zinc/53/48/77/794534877.db2.gz	AJZNJHFYGYOQKF-IAGOWNOFSA-N	1	0	365.518	1.570	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCn2cncn2)C1	ZINC001104952195	794535784	/nfs/dbraw/zinc/53/57/84/794535784.db2.gz	KIQFEPKTWFXHMI-YLJYHZDGSA-N	1	0	365.481	1.576	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1	ZINC001112068439	794652029	/nfs/dbraw/zinc/65/20/29/794652029.db2.gz	YYMKUJVECOUTGE-JHJVBQTASA-N	1	0	368.421	1.366	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(-n3cnnn3)cc2)C[C@H]1C	ZINC001104985152	794736249	/nfs/dbraw/zinc/73/62/49/794736249.db2.gz	QNYLXFFXBDSZKE-NVXWUHKLSA-N	1	0	354.458	1.926	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC[C@H]2CCCO2)C1	ZINC001112069893	794747123	/nfs/dbraw/zinc/74/71/23/794747123.db2.gz	RSKPRBBMUGHHLL-MGPQQGTHSA-N	1	0	350.381	1.737	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](CN(C)c3cnc(C#N)cn3)C2)CC[N@@H+]1C	ZINC001058708489	794759592	/nfs/dbraw/zinc/75/95/92/794759592.db2.gz	NGJCBPBXIMIMDY-BPQIPLTHSA-N	1	0	370.501	1.753	20	30		FDEDRO
CC[C@H](C(=O)OC)N1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1	ZINC000511589221	794793308	/nfs/dbraw/zinc/79/33/08/794793308.db2.gz	WUFVSSFVJQWDMY-QGZVFWFLSA-N	1	0	358.442	1.456	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@]3(CCCCO3)[C@H]2C#N)CC1	ZINC000364005318	794921991	/nfs/dbraw/zinc/92/19/91/794921991.db2.gz	KJVREAZDSKIMDP-QUCCMNQESA-N	1	0	362.518	1.903	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NCC(C)C)C1	ZINC001105090427	795234989	/nfs/dbraw/zinc/23/49/89/795234989.db2.gz	VCNPZORXVUGYAI-KZNAEPCWSA-N	1	0	367.534	1.814	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC2CC2)C1	ZINC001105090564	795235800	/nfs/dbraw/zinc/23/58/00/795235800.db2.gz	ZYFHTZQPTUTHFH-BFYDXBDKSA-N	1	0	351.491	1.178	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCCOC(C)C)C[C@H]1C	ZINC001105100263	795283168	/nfs/dbraw/zinc/28/31/68/795283168.db2.gz	JIBXBQJYUWVWJL-KZNAEPCWSA-N	1	0	365.518	1.404	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CCCC)NC(N)=O)C[C@H]1C	ZINC001105098518	795285527	/nfs/dbraw/zinc/28/55/27/795285527.db2.gz	DYAOPGUEMRLVPK-BRWVUGGUSA-N	1	0	368.522	1.490	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C(N)=O)nc2)C[C@H]1C	ZINC001105105563	795305095	/nfs/dbraw/zinc/30/50/95/795305095.db2.gz	WPSINSRXRWJLJB-BXUZGUMPSA-N	1	0	350.850	1.621	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2c(C)cccc2F)C[C@H]1C	ZINC001105111801	795323697	/nfs/dbraw/zinc/32/36/97/795323697.db2.gz	QSYNAPNYBNVORJ-HZPDHXFCSA-N	1	0	359.445	1.571	20	30		FDEDRO
C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)C[C@H]1C	ZINC001105120375	795346874	/nfs/dbraw/zinc/34/68/74/795346874.db2.gz	DCJKYZZWDPTEII-ZACQAIPSSA-N	1	0	363.502	1.860	20	30		FDEDRO
COc1cc(NC(=O)Nc2ccn(CCC#N)n2)ccc1OCC[NH+](C)C	ZINC000417688574	795354654	/nfs/dbraw/zinc/35/46/54/795354654.db2.gz	SFXOOFNCEDVMEB-UHFFFAOYSA-N	1	0	372.429	2.390	20	30		FDEDRO
C=CC[N@@H+](CCN1CCO[C@H](C)C1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000500099762	795489858	/nfs/dbraw/zinc/48/98/58/795489858.db2.gz	QUWYAWCYTCCMSA-SJORKVTESA-N	1	0	356.474	1.932	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCC([NH2+]CCN2CCCC2=O)CC1	ZINC001026575498	795574144	/nfs/dbraw/zinc/57/41/44/795574144.db2.gz	VPIPFEVKLYWDAI-AKSNENBUSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCC([NH2+]Cc2cn(CC)nn2)CC1	ZINC001026575418	795574163	/nfs/dbraw/zinc/57/41/63/795574163.db2.gz	QJNZSEKNIWYYAZ-RLNQZENFSA-N	1	0	361.490	1.796	20	30		FDEDRO
C=CCN(C(=O)N[C@@H](C)C(=O)N(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000364281215	795590495	/nfs/dbraw/zinc/59/04/95/795590495.db2.gz	UAAWQCSVEXYSHO-WMZOPIPTSA-N	1	0	358.486	1.935	20	30		FDEDRO
CCCNC(=O)CN1CCC([NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)CC1	ZINC000364289699	795606006	/nfs/dbraw/zinc/60/60/06/795606006.db2.gz	KDYSCYXFRHLHOZ-MKXGPGLRSA-N	1	0	362.518	1.806	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000330243719	795611732	/nfs/dbraw/zinc/61/17/32/795611732.db2.gz	WYMKNXJJTLVKMZ-PHXBYCTMSA-N	1	0	365.518	1.905	20	30		FDEDRO
N#Cc1cc2c(nc1NCCCC[NH+]1CCN(CCO)CC1)CCCC2	ZINC000500295962	795804403	/nfs/dbraw/zinc/80/44/03/795804403.db2.gz	HHJGQSNCECOBBE-UHFFFAOYSA-N	1	0	357.502	1.634	20	30		FDEDRO
CC(C)[C@H]([NH3+])CNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000418413709	795887578	/nfs/dbraw/zinc/88/75/78/795887578.db2.gz	SJFOMOIMIYETOY-MRXNPFEDSA-N	1	0	369.473	1.541	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CCCC[N@H+]4C)[C@@H]3C2)c1	ZINC000974442390	795945190	/nfs/dbraw/zinc/94/51/90/795945190.db2.gz	AHDPBFJUMLKIQJ-BHIYHBOVSA-N	1	0	366.465	1.220	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)NCC(=O)NCC[NH+]1CCCCC1	ZINC000909328956	795974855	/nfs/dbraw/zinc/97/48/55/795974855.db2.gz	OCEKMANDTBJXKV-OAHLLOKOSA-N	1	0	358.442	1.044	20	30		FDEDRO
N#Cc1cnc2ccccc2c1N1CCN(C(=O)NCCCC[NH3+])CC1	ZINC000418512747	796049012	/nfs/dbraw/zinc/04/90/12/796049012.db2.gz	RBVCGSQQBFWPJM-UHFFFAOYSA-N	1	0	352.442	1.677	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C	ZINC000162794535	796260726	/nfs/dbraw/zinc/26/07/26/796260726.db2.gz	GVEMGIYNKSHVSU-UHFFFAOYSA-N	1	0	363.433	1.822	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1	ZINC000979849700	806538964	/nfs/dbraw/zinc/53/89/64/806538964.db2.gz	GLGGCULCNQDYEF-ATIWLJMLSA-N	1	0	363.502	1.320	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cnnn2CC)C1	ZINC001087427617	806579442	/nfs/dbraw/zinc/57/94/42/806579442.db2.gz	LWDDZNDHWIIDAI-QZTJIDSGSA-N	1	0	351.454	1.909	20	30		FDEDRO
C#Cc1ccc(C(=O)NCc2ccc(OCC[NH+](C)C)c(OC)c2)nc1	ZINC000728864528	806621972	/nfs/dbraw/zinc/62/19/72/806621972.db2.gz	KYQZEVVBHXWREQ-UHFFFAOYSA-N	1	0	353.422	1.942	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2ncnn2)C1	ZINC001087427996	806683483	/nfs/dbraw/zinc/68/34/83/806683483.db2.gz	HDWVYXGETCKVSP-QZTJIDSGSA-N	1	0	354.458	1.614	20	30		FDEDRO
C=CC[C@@]1(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)CCC[NH2+]1	ZINC000662474206	806703021	/nfs/dbraw/zinc/70/30/21/806703021.db2.gz	UHGAFXNFXMHPEP-FQEVSTJZSA-N	1	0	357.454	1.725	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)CCC[NH2+]1	ZINC000662498958	806785927	/nfs/dbraw/zinc/78/59/27/806785927.db2.gz	MXFVFGKBYXVAHF-LJQANCHMSA-N	1	0	363.408	1.948	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnnn2CCC)C1	ZINC001026850318	799991363	/nfs/dbraw/zinc/99/13/63/799991363.db2.gz	RZYLRYIBBIGXOC-OAGGEKHMSA-N	1	0	362.478	1.002	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccn(C)c(=O)c2)C1	ZINC001026851050	799996443	/nfs/dbraw/zinc/99/64/43/799996443.db2.gz	IRHMXJCWSPOLBG-KURKYZTESA-N	1	0	359.470	1.305	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)C[C@H]4CC[N@@H+](C)C4)C[C@H]32)nc1	ZINC000974668585	800023033	/nfs/dbraw/zinc/02/30/33/800023033.db2.gz	MGHWQZDXKFPABJ-ZHALLVOQSA-N	1	0	366.465	1.078	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)C[N@H+]4CCC[C@H]4C)C[C@H]32)nc1	ZINC000974681340	800064797	/nfs/dbraw/zinc/06/47/97/800064797.db2.gz	UXXDBZRBWHSEHU-SZVBFZGTSA-N	1	0	366.465	1.220	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCN(C(=O)c3ccc(C)c(OC)c3)CC2)CCC[NH2+]1	ZINC000662510669	806807218	/nfs/dbraw/zinc/80/72/18/806807218.db2.gz	OKCJQKUOCKBVHU-OAQYLSRUSA-N	1	0	371.481	1.986	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(C#N)s3)C2)O1	ZINC001026916831	800176400	/nfs/dbraw/zinc/17/64/00/800176400.db2.gz	PVRARWJEBDQVIV-CKEIUWERSA-N	1	0	362.499	1.277	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1occc1CC)C2	ZINC001112523679	800359680	/nfs/dbraw/zinc/35/96/80/800359680.db2.gz	IKJYEKLQUKROIK-JXFKEZNVSA-N	1	0	359.470	1.976	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C4(CC)CCC4)[C@@H]3C2)CC1	ZINC000974837728	800371692	/nfs/dbraw/zinc/37/16/92/800371692.db2.gz	GAPXXIFMYHZFOH-RTBURBONSA-N	1	0	371.525	1.971	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccn(C)c(=O)c1	ZINC001027890165	806832770	/nfs/dbraw/zinc/83/27/70/806832770.db2.gz	REVLQLNGBDMNCL-KSZLIROESA-N	1	0	359.470	1.447	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCN(CCCOCC(F)(F)F)CC2)CCC[NH2+]1	ZINC000662534074	806833492	/nfs/dbraw/zinc/83/34/92/806833492.db2.gz	CROAELGRJZFENF-MRXNPFEDSA-N	1	0	363.424	1.798	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCN(C(=O)Cc3ccc(C)cc3)CC2)CCC[NH2+]1	ZINC000662559336	806839081	/nfs/dbraw/zinc/83/90/81/806839081.db2.gz	BPOFUIYPKGZHBZ-OAQYLSRUSA-N	1	0	355.482	1.907	20	30		FDEDRO
C=CC[C@@]1(C(=O)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)CCC[NH2+]1	ZINC000662566712	806847261	/nfs/dbraw/zinc/84/72/61/806847261.db2.gz	QDRBXPGGDGCKAE-KSSFIOAISA-N	1	0	365.499	1.812	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001027066930	800645594	/nfs/dbraw/zinc/64/55/94/800645594.db2.gz	CPXOYDNRLHNJLR-QGTPRVQTSA-N	1	0	354.454	1.221	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](N(C)C(=O)N(C)C)C2)CC1	ZINC000660597934	800692161	/nfs/dbraw/zinc/69/21/61/800692161.db2.gz	SVKBBVFMHFNIKY-INIZCTEOSA-N	1	0	351.495	1.424	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CO)[C@@H]2CCC[C@@H](OC)C2)CC1	ZINC000660598018	800693080	/nfs/dbraw/zinc/69/30/80/800693080.db2.gz	VYMYHVDYHBTJDK-KBAYOESNSA-N	1	0	353.507	1.892	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3CCN(C(=O)C[N@H+]4CCC[C@@H]4C)C[C@H]32)c1	ZINC000975069667	800821714	/nfs/dbraw/zinc/82/17/14/800821714.db2.gz	JWILUBPJSZNUOF-KVSKMBFKSA-N	1	0	366.465	1.220	20	30		FDEDRO
C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(OCC#N)cc2)C1	ZINC001027071877	800878343	/nfs/dbraw/zinc/87/83/43/800878343.db2.gz	UXWIBTWMNYJWAF-AYBZRNKSSA-N	1	0	357.454	1.952	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cnc(OC)nc2C)C1	ZINC001027075218	800887483	/nfs/dbraw/zinc/88/74/83/800887483.db2.gz	OBUAMAFXYCOPBG-OIISXLGYSA-N	1	0	360.458	1.323	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnc(C3CC3)[nH]2)C1	ZINC001027116574	801009317	/nfs/dbraw/zinc/00/93/17/801009317.db2.gz	FMOPNXARHJLIRA-KMFMINBZSA-N	1	0	359.474	1.601	20	30		FDEDRO
C=CC[C@@]1(C(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)CCC[NH2+]1	ZINC000662630655	806904289	/nfs/dbraw/zinc/90/42/89/806904289.db2.gz	MCHBJOLHCYXWLQ-JXFKEZNVSA-N	1	0	357.454	1.481	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]21	ZINC000975615707	801669158	/nfs/dbraw/zinc/66/91/58/801669158.db2.gz	CEAUWKZOZDYJDO-LNLFQRSKSA-N	1	0	370.497	1.831	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)/C(C)=C\C)C[C@@H]32)CC1	ZINC000975647546	801787917	/nfs/dbraw/zinc/78/79/17/801787917.db2.gz	CIRNEVYDSYBZJK-OBBRTWQBSA-N	1	0	357.498	1.747	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(NC(=O)N2CCOCC2)CC1	ZINC000660866839	801914626	/nfs/dbraw/zinc/91/46/26/801914626.db2.gz	LUUHFDLXNKYQLJ-MRXNPFEDSA-N	1	0	364.490	1.082	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@@H]32)cn1	ZINC000975718647	802121000	/nfs/dbraw/zinc/12/10/00/802121000.db2.gz	LXTSFXKELDXKLC-WDYCEAGBSA-N	1	0	366.465	1.078	20	30		FDEDRO
C=CC[C@@]1(C(=O)Nc2ccc(CC(=O)N3CCN(C)CC3)cc2)CCC[NH2+]1	ZINC000662693426	806963509	/nfs/dbraw/zinc/96/35/09/806963509.db2.gz	VTYSQDUPRYCXGZ-NRFANRHFSA-N	1	0	370.497	1.640	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]21	ZINC000975752113	802200638	/nfs/dbraw/zinc/20/06/38/802200638.db2.gz	GQFLYIWGADBBGO-IEZWGBDMSA-N	1	0	368.481	1.971	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C1	ZINC000975767544	802264297	/nfs/dbraw/zinc/26/42/97/802264297.db2.gz	JVYDMUZLNBZKLA-SCTDSRPQSA-N	1	0	370.497	1.689	20	30		FDEDRO
C[NH+](C)[C@@H](C(=O)N1CC[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@H]2C1)C1CC1	ZINC000975757664	802278608	/nfs/dbraw/zinc/27/86/08/802278608.db2.gz	GGEQMQJRUSQCJN-JCGIZDLHSA-N	1	0	369.469	1.290	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)C4(C)CCC4)C[C@@H]32)CC1	ZINC000975867180	802626259	/nfs/dbraw/zinc/62/62/59/802626259.db2.gz	MGEKZCLZPIPZIK-HKUYNNGSSA-N	1	0	371.525	1.971	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@H]2C1	ZINC000975961336	802751217	/nfs/dbraw/zinc/75/12/17/802751217.db2.gz	FCSNBQXWWXMBIR-ZQIUZPCESA-N	1	0	351.410	1.557	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@H]3C2)C1	ZINC000976022352	802839451	/nfs/dbraw/zinc/83/94/51/802839451.db2.gz	ABURTSFNSUFFGO-VKJFTORMSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=CC[C@]1(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)CCC[NH2+]1	ZINC000662756025	803069877	/nfs/dbraw/zinc/06/98/77/803069877.db2.gz	GXJPPTMUNAXTJY-HXUWFJFHSA-N	1	0	360.477	1.762	20	30		FDEDRO
C[C@]1(C#N)CN(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CCO1	ZINC000893451496	803327255	/nfs/dbraw/zinc/32/72/55/803327255.db2.gz	GDNUNAFSZVFXPJ-FQEVSTJZSA-N	1	0	372.469	1.467	20	30		FDEDRO
C=CC[C@]1(C(=O)Nc2cccc(CN3CCN(C(C)=O)CC3)c2)CCC[NH2+]1	ZINC000662800471	803328715	/nfs/dbraw/zinc/32/87/15/803328715.db2.gz	QOFJZWKJQUQQTE-OAQYLSRUSA-N	1	0	370.497	1.988	20	30		FDEDRO
C=CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1	ZINC000661380757	803414037	/nfs/dbraw/zinc/41/40/37/803414037.db2.gz	OZGLRQMKKKQJOX-UONOGXRCSA-N	1	0	351.472	1.949	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@H]21	ZINC000976587048	803564817	/nfs/dbraw/zinc/56/48/17/803564817.db2.gz	UGXDYBXXJOEQMP-KQHFAPEESA-N	1	0	361.486	1.025	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1	ZINC000423180600	814989790	/nfs/dbraw/zinc/98/97/90/814989790.db2.gz	BGVZTPKJNAZJMA-MRXNPFEDSA-N	1	0	354.454	1.660	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1	ZINC000423189602	814994867	/nfs/dbraw/zinc/99/48/67/814994867.db2.gz	PTFXAGCKNWERHI-NRFANRHFSA-N	1	0	366.465	1.675	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCS(=O)(=O)C1	ZINC000893474577	804306389	/nfs/dbraw/zinc/30/63/89/804306389.db2.gz	DRUSCDJEVSUMIB-JLJPHGGASA-N	1	0	361.467	1.466	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1	ZINC000423252352	815020326	/nfs/dbraw/zinc/02/03/26/815020326.db2.gz	UAEQTKVYSFLVFJ-YJBOKZPZSA-N	1	0	372.469	1.119	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]C[C@@H](O)COC)C2)C1	ZINC001211670823	804528230	/nfs/dbraw/zinc/52/82/30/804528230.db2.gz	KUESYDPEASZYEQ-CEXWTWQISA-N	1	0	358.482	1.934	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC(=O)NC)C2)C1	ZINC001112526802	804817884	/nfs/dbraw/zinc/81/78/84/804817884.db2.gz	XMMALKYNOUDRCO-LIRRHRJNSA-N	1	0	362.474	1.017	20	30		FDEDRO
C=CC[N@@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(C)(C)C	ZINC000661759432	804822194	/nfs/dbraw/zinc/82/21/94/804822194.db2.gz	GAMXPOXONWYBET-UHFFFAOYSA-N	1	0	367.515	1.669	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CCN2C(=O)[C@@H]2C[C@H]2C2CC2)CC1	ZINC000977851254	805000712	/nfs/dbraw/zinc/00/07/12/805000712.db2.gz	VBNJKZCDRJUURP-GBESFXJTSA-N	1	0	357.498	1.437	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2	ZINC000978053235	805159383	/nfs/dbraw/zinc/15/93/83/805159383.db2.gz	BLLLTUBQUMUUFE-BBWFWOEESA-N	1	0	361.486	1.123	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C)O2)C[C@H]1c1ccccc1	ZINC001211676256	805279437	/nfs/dbraw/zinc/27/94/37/805279437.db2.gz	HBUHFNRZMBZLAW-GSEOLPGOSA-N	1	0	356.466	1.788	20	30		FDEDRO
CC(C)C[C@H](CNC(=O)NCC(=O)NCC#N)[NH2+][C@@H](C)c1ccccc1	ZINC000511907243	805289727	/nfs/dbraw/zinc/28/97/27/805289727.db2.gz	SPNAUJLRQGPBRY-DOTOQJQBSA-N	1	0	359.474	1.691	20	30		FDEDRO
C#Cc1cncc(C(=O)N(C)C[C@H]2CCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1	ZINC000978348289	805363401	/nfs/dbraw/zinc/36/34/01/805363401.db2.gz	NVIRPGSNISQSTD-ZTFGCOKTSA-N	1	0	354.454	1.076	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1c1ccccc1	ZINC001211679996	805516001	/nfs/dbraw/zinc/51/60/01/805516001.db2.gz	BRHVIJVCYMFAMS-RBUKOAKNSA-N	1	0	354.454	1.739	20	30		FDEDRO
C#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccnn2CCOC)C1	ZINC001087430505	807057056	/nfs/dbraw/zinc/05/70/56/807057056.db2.gz	SUXKSSBODKDNNJ-RTBURBONSA-N	1	0	366.465	1.751	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1	ZINC000980581134	807083952	/nfs/dbraw/zinc/08/39/52/807083952.db2.gz	MFXXJIKCVVHBFL-ZKXLYKBJSA-N	1	0	363.502	1.463	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3cccnc3)C2)CC1	ZINC000980798558	807195132	/nfs/dbraw/zinc/19/51/32/807195132.db2.gz	BNRJSJOFLZGXAR-QFBILLFUSA-N	1	0	368.481	1.442	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C[C@H]1C[NH3+]	ZINC000423561439	815118313	/nfs/dbraw/zinc/11/83/13/815118313.db2.gz	PLWZSIDWCYMKBH-DNVCBOLYSA-N	1	0	366.465	1.617	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@H]3CC3(C)C)C2)CC1	ZINC000981177099	807652933	/nfs/dbraw/zinc/65/29/33/807652933.db2.gz	AUDNZMLWMYGSAH-CGTJXYLNSA-N	1	0	359.514	1.779	20	30		FDEDRO
CC#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CCC(=O)N2C)C1	ZINC001087433904	807755547	/nfs/dbraw/zinc/75/55/47/807755547.db2.gz	LXSJUBZAZSVQKZ-VAMGGRTRSA-N	1	0	367.493	1.995	20	30		FDEDRO
CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(Cc1ccc(C#N)cc1)C1CC1	ZINC000423575153	815145844	/nfs/dbraw/zinc/14/58/44/815145844.db2.gz	VFJLXKYTLVCQRT-GOSISDBHSA-N	1	0	356.470	1.881	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)C2	ZINC001112533118	808111081	/nfs/dbraw/zinc/11/10/81/808111081.db2.gz	OZKTUWDSGAXMPK-NEHHDPPZSA-N	1	0	361.486	1.074	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N(CC[NH3+])Cc1ccccc1	ZINC000423696478	815199064	/nfs/dbraw/zinc/19/90/64/815199064.db2.gz	XJAAGPMACMUALT-UHFFFAOYSA-N	1	0	350.422	1.504	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1	ZINC000423702816	815206758	/nfs/dbraw/zinc/20/67/58/815206758.db2.gz	ZAEGPNQTBDNMDA-JCGIZDLHSA-N	1	0	370.453	1.186	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)cn1	ZINC000981784849	808491921	/nfs/dbraw/zinc/49/19/21/808491921.db2.gz	TXFLHCYPWDPOOZ-MAUKXSAKSA-N	1	0	366.465	1.173	20	30		FDEDRO
CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C2)C1	ZINC000981843216	808615018	/nfs/dbraw/zinc/61/50/18/808615018.db2.gz	WQJWGSCGWONRSK-KGLIPLIRSA-N	1	0	360.376	1.280	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1cccc(C(N)=O)c1	ZINC001028145659	808668989	/nfs/dbraw/zinc/66/89/89/808668989.db2.gz	VBAPAALWTWHERE-KURKYZTESA-N	1	0	357.454	1.457	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCN(C(C)=O)C2)C[C@H]1c1ccccc1	ZINC001211715607	809142527	/nfs/dbraw/zinc/14/25/27/809142527.db2.gz	FGFLMHKDSFQUDG-SLFFLAALSA-N	1	0	353.466	1.462	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCc2nc(C)no2)C[C@H]1c1ccccc1	ZINC001211723318	809315653	/nfs/dbraw/zinc/31/56/53/809315653.db2.gz	TXDQUOYYWVPKTE-ZWKOTPCHSA-N	1	0	352.438	1.918	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+]	ZINC000418929703	809322372	/nfs/dbraw/zinc/32/23/72/809322372.db2.gz	WTOKSCBLZKICAK-NVXWUHKLSA-N	1	0	374.510	1.541	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCCSCc2ccccc2C#N)C1	ZINC000418931365	809323369	/nfs/dbraw/zinc/32/33/69/809323369.db2.gz	YCIURFIUXGPUOM-HOCLYGCPSA-N	1	0	374.510	1.493	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C	ZINC000418940778	809331037	/nfs/dbraw/zinc/33/10/37/809331037.db2.gz	UGSGPHHBJIDJIW-UKRRQHHQSA-N	1	0	361.442	1.097	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C	ZINC000418940777	809331449	/nfs/dbraw/zinc/33/14/49/809331449.db2.gz	UGSGPHHBJIDJIW-HIFRSBDPSA-N	1	0	361.442	1.097	20	30		FDEDRO
C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000419108861	809569448	/nfs/dbraw/zinc/56/94/48/809569448.db2.gz	GPPIHVRYJZRGST-KRWDZBQOSA-N	1	0	367.371	1.370	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000419119637	809574702	/nfs/dbraw/zinc/57/47/02/809574702.db2.gz	SHPDMACNXXCXTC-GXTWGEPZSA-N	1	0	367.371	1.369	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)CS(C)(=O)=O)C[C@H]1c1ccccc1	ZINC001211732423	809773537	/nfs/dbraw/zinc/77/35/37/809773537.db2.gz	GWHQTIMSJQKRLT-HYVNUMGLSA-N	1	0	350.484	1.437	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CC[NH2+]CC1)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000419208034	809821823	/nfs/dbraw/zinc/82/18/23/809821823.db2.gz	NRMNTYUGLMGROD-OAHLLOKOSA-N	1	0	362.433	1.834	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCC4(C[C@H]3F)OCCO4)C2=O)cc1	ZINC000894005577	809862221	/nfs/dbraw/zinc/86/22/21/809862221.db2.gz	LKZFVDMEERBYOH-KURKYZTESA-N	1	0	373.428	1.882	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)C(N)=O)C[C@H]1c1ccccc1	ZINC001211745986	809981947	/nfs/dbraw/zinc/98/19/47/809981947.db2.gz	OOSQOXSPPBYTPV-GBESFXJTSA-N	1	0	355.482	1.742	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)NC1CCN(C(=O)C2CC2)CC1	ZINC000261703076	810016757	/nfs/dbraw/zinc/01/67/57/810016757.db2.gz	UEXJGBOMHGRVKU-GVDBMIGSSA-N	1	0	360.502	1.510	20	30		FDEDRO
C[C@@H](O)C[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1	ZINC001087454090	810042195	/nfs/dbraw/zinc/04/21/95/810042195.db2.gz	BBJHOZIKHRYNRX-OMWUSAIZSA-N	1	0	370.428	1.994	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CN2CCOCC2)C1	ZINC001087454562	810046352	/nfs/dbraw/zinc/04/63/52/810046352.db2.gz	YPNVQFWOSLIATN-RTBURBONSA-N	1	0	361.461	1.618	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(CF)cc2)C[C@H]1OC	ZINC001212178004	810055506	/nfs/dbraw/zinc/05/55/06/810055506.db2.gz	FDOXCJNNBATAOD-ZHALLVOQSA-N	1	0	350.434	1.799	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1OC	ZINC000424241976	815339444	/nfs/dbraw/zinc/33/94/44/815339444.db2.gz	QKLVCRSOJFOYLQ-JKSUJKDBSA-N	1	0	356.426	1.560	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](C[C@H](O)c4ccccc4F)C[C@H]32)[nH]1	ZINC001075698459	815347198	/nfs/dbraw/zinc/34/71/98/815347198.db2.gz	YQISGYPNONHVKI-BKTGTZMESA-N	1	0	368.412	1.905	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCNC2=O)C1	ZINC001087457292	810184731	/nfs/dbraw/zinc/18/47/31/810184731.db2.gz	SQZSQESGDBBEJU-FGTMMUONSA-N	1	0	359.445	1.812	20	30		FDEDRO
C#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cn2nccc2C)C1	ZINC001087458463	810266311	/nfs/dbraw/zinc/26/63/11/810266311.db2.gz	CPUZNUWXGMZOEP-RTBURBONSA-N	1	0	354.429	1.938	20	30		FDEDRO
C=CCn1cc(CNC(=O)NC[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)nn1	ZINC000424463607	815363424	/nfs/dbraw/zinc/36/34/24/815363424.db2.gz	GYZJGMNVFGGZAH-QAPCUYQASA-N	1	0	372.448	1.796	20	30		FDEDRO
N#CCCn1cc(C[NH2+][C@H]2CCC[C@@H](C(N)=O)C2)c(-c2ccncc2)n1	ZINC000433314978	810414550	/nfs/dbraw/zinc/41/45/50/810414550.db2.gz	CRZNGAVASSMPCC-WBVHZDCISA-N	1	0	352.442	1.992	20	30		FDEDRO
CS(=O)(=O)CC1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1	ZINC000433309481	810419133	/nfs/dbraw/zinc/41/91/33/810419133.db2.gz	AEIXWWUNUSEQHP-UHFFFAOYSA-N	1	0	373.482	1.773	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CC#N)CC[C@@H]2c2cccc(F)c2)C1	ZINC001087459572	810502882	/nfs/dbraw/zinc/50/28/82/810502882.db2.gz	LJCMEWTVVJXTHB-ATZDWAIDSA-N	1	0	358.461	1.965	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCn2nc(C)nc2C)C1	ZINC001028548587	810616041	/nfs/dbraw/zinc/61/60/41/810616041.db2.gz	CJELGPIVBHHNJP-KURKYZTESA-N	1	0	361.490	1.314	20	30		FDEDRO
COc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@]34C[C@H]3COC4)C2)cc1C#N	ZINC001028554951	810648930	/nfs/dbraw/zinc/64/89/30/810648930.db2.gz	PQCQQZSUUVUGLC-KNBMTAEXSA-N	1	0	355.438	1.541	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)c1	ZINC000983273630	815394026	/nfs/dbraw/zinc/39/40/26/815394026.db2.gz	QHWNTUGOCHYZCI-NZSAHSFTSA-N	1	0	368.481	1.372	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1ccccc1OC	ZINC001167927514	810755665	/nfs/dbraw/zinc/75/56/65/810755665.db2.gz	QMBKFDYQRWGNAC-HYVNUMGLSA-N	1	0	357.454	1.033	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2COC(=O)N2)C1	ZINC001087464546	811205782	/nfs/dbraw/zinc/20/57/82/811205782.db2.gz	OMOSSEIMEVDPAO-ZACQAIPSSA-N	1	0	359.401	1.232	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CCCc3cccc(F)c3)C[C@@H]2O)c1	ZINC001083392502	811207257	/nfs/dbraw/zinc/20/72/57/811207257.db2.gz	LREVTHRANBCPBT-MSOLQXFVSA-N	1	0	356.401	1.433	20	30		FDEDRO
C[NH+]=C(NC[C@@H](C)c1c(C)noc1C)N1CCO[C@@H](c2cnn(C)c2)C1	ZINC000261753282	811311402	/nfs/dbraw/zinc/31/14/02/811311402.db2.gz	MBLYRKHRRWSGLI-MLGOLLRUSA-N	1	0	360.462	1.777	20	30		FDEDRO
C[NH+]=C(NCc1ccnn1C)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1	ZINC000261818734	811325935	/nfs/dbraw/zinc/32/59/35/811325935.db2.gz	UEFNICVNEQFSGQ-UHFFFAOYSA-N	1	0	374.876	1.493	20	30		FDEDRO
COC(=O)c1cnc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)s1	ZINC000894220573	811325984	/nfs/dbraw/zinc/32/59/84/811325984.db2.gz	KGYKWOVQPHNCDP-UHFFFAOYSA-N	1	0	357.439	1.955	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N1CC[C@H](C)[C@H](n2ccnc2)C1	ZINC000261959671	811354200	/nfs/dbraw/zinc/35/42/00/811354200.db2.gz	JTDUNXHQHJCGCF-BHYGNILZSA-N	1	0	370.505	1.504	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CC#N)CC[C@@H]2c2ccc(F)cc2)CC[N@@H+]1C	ZINC001087464936	811400430	/nfs/dbraw/zinc/40/04/30/811400430.db2.gz	MVISPAWIQCCUTJ-UTRMSSBJSA-N	1	0	358.461	1.964	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cn2ncc3cccnc32)C[C@H]1C(F)(F)F	ZINC001112133268	815450432	/nfs/dbraw/zinc/45/04/32/815450432.db2.gz	HIQAPONNPPGALG-ZIAGYGMSSA-N	1	0	365.359	1.434	20	30		FDEDRO
N#C[C@@H]1CN(C[C@@H](O)COCc2ccco2)C[C@@]12C(=O)Nc1ccccc12	ZINC000513661555	811665036	/nfs/dbraw/zinc/66/50/36/811665036.db2.gz	SYOLREJDUUQQKX-STXHMFSFSA-N	1	0	367.405	1.503	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N3CC[NH+](C4CCC4)CC3)CC2)o1	ZINC000280202696	811746427	/nfs/dbraw/zinc/74/64/27/811746427.db2.gz	QRWZZZPAVKHOJO-UHFFFAOYSA-N	1	0	357.458	1.768	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1	ZINC000419869617	812266079	/nfs/dbraw/zinc/26/60/79/812266079.db2.gz	WLYNIFGCFASEBM-KBAYOESNSA-N	1	0	354.454	1.401	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1	ZINC000419882647	812275073	/nfs/dbraw/zinc/27/50/73/812275073.db2.gz	INVHLUIULZUGTD-RDJZCZTQSA-N	1	0	359.470	1.714	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+]	ZINC000420026225	813400002	/nfs/dbraw/zinc/40/00/02/813400002.db2.gz	ZXEIZCJLUGFKAT-RDJZCZTQSA-N	1	0	374.441	1.743	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+]	ZINC000420026224	813400249	/nfs/dbraw/zinc/40/02/49/813400249.db2.gz	ZXEIZCJLUGFKAT-NVXWUHKLSA-N	1	0	374.441	1.743	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1	ZINC000420057553	813412983	/nfs/dbraw/zinc/41/29/83/813412983.db2.gz	NJDHAIHPZKUCTA-QYZOEREBSA-N	1	0	368.481	1.918	20	30		FDEDRO
C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C	ZINC000420040537	813419792	/nfs/dbraw/zinc/41/97/92/813419792.db2.gz	PAQSREQGLOBXLS-DOTOQJQBSA-N	1	0	359.470	1.821	20	30		FDEDRO
C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C	ZINC000420040541	813420093	/nfs/dbraw/zinc/42/00/93/813420093.db2.gz	PAQSREQGLOBXLS-RDJZCZTQSA-N	1	0	359.470	1.821	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1	ZINC000420092369	813467403	/nfs/dbraw/zinc/46/74/03/813467403.db2.gz	FZARQBSSJPJKRA-HXUWFJFHSA-N	1	0	356.470	1.801	20	30		FDEDRO
CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1	ZINC000420151687	813512722	/nfs/dbraw/zinc/51/27/22/813512722.db2.gz	YQLLFSOTDFXLLS-IAGOWNOFSA-N	1	0	358.442	1.092	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)N1CCN(c2ncccn2)CC1	ZINC000261825227	813718539	/nfs/dbraw/zinc/71/85/39/813718539.db2.gz	UTZJJAHKWBZXSO-GVDBMIGSSA-N	1	0	370.501	1.522	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)C[C@@H]4COC(=O)C4)[C@@H]3C2)c1	ZINC001075685005	813771716	/nfs/dbraw/zinc/77/17/16/813771716.db2.gz	KOFKVCZLJNEPDV-OKZBNKHCSA-N	1	0	353.422	1.544	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc3nonc3c2)C1	ZINC001104182580	813793345	/nfs/dbraw/zinc/79/33/45/813793345.db2.gz	GCFOZEYBTQPYRL-NVXWUHKLSA-N	1	0	370.453	1.837	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC000983013756	813968580	/nfs/dbraw/zinc/96/85/80/813968580.db2.gz	DMEYAQCAZPMTIS-BBWFWOEESA-N	1	0	361.486	1.028	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C	ZINC000421292745	814074699	/nfs/dbraw/zinc/07/46/99/814074699.db2.gz	BNNMJOQVYIDANF-HNNXBMFYSA-N	1	0	374.441	1.075	20	30		FDEDRO
COc1cc(C[NH2+]C2CCN(CC(=O)N3CCCC3)CC2)ccc1C#N	ZINC000366899008	814111302	/nfs/dbraw/zinc/11/13/02/814111302.db2.gz	AQNMFSNYOUSOTL-UHFFFAOYSA-N	1	0	356.470	1.743	20	30		FDEDRO
C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)CC[C@H]1N1CC[NH+](C)CC1	ZINC000367030670	814258275	/nfs/dbraw/zinc/25/82/75/814258275.db2.gz	ROSTWVFPHCZCOI-FXAWDEMLSA-N	1	0	369.513	1.845	20	30		FDEDRO
C[NH+](C)C1CCC(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1	ZINC000422014601	814360217	/nfs/dbraw/zinc/36/02/17/814360217.db2.gz	ZLYSTLGIMLUVAZ-UHFFFAOYSA-N	1	0	352.442	1.929	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCCC[NH+]1CCOCC1	ZINC000272589979	814764204	/nfs/dbraw/zinc/76/42/04/814764204.db2.gz	RYWYTFXTIWOTIE-OAHLLOKOSA-N	1	0	374.441	1.145	20	30		FDEDRO
CCO[C@@H]1C[C@@H](NC(=[NH2+])NCc2ccc(OC)c(OC)c2)[C@]12CCCO2	ZINC000273465592	814795156	/nfs/dbraw/zinc/79/51/56/814795156.db2.gz	JHWXLXTZGRRLFG-ZHALLVOQSA-N	1	0	363.458	1.835	20	30		FDEDRO
CC[NH+]=C(NCCC1CCCC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1	ZINC000261863287	814798878	/nfs/dbraw/zinc/79/88/78/814798878.db2.gz	ZPSTVWAYUGLZFD-IBGZPJMESA-N	1	0	363.506	1.842	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC(C)(C)CC#N)[C@H](C)C1	ZINC000422320323	814808105	/nfs/dbraw/zinc/80/81/05/814808105.db2.gz	APRQOPDLCNZJTJ-CVEARBPZSA-N	1	0	366.506	1.296	20	30		FDEDRO
C[C@@H]1CC[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)O1	ZINC000422468893	814820829	/nfs/dbraw/zinc/82/08/29/814820829.db2.gz	TYHCIEVPEXOZEO-CRAIPNDOSA-N	1	0	372.469	1.132	20	30		FDEDRO
C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1	ZINC000422761779	814842927	/nfs/dbraw/zinc/84/29/27/814842927.db2.gz	MFGQOSWYAKUFNA-AWEZNQCLSA-N	1	0	361.442	1.187	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000983314625	815678291	/nfs/dbraw/zinc/67/82/91/815678291.db2.gz	ACXLMHMWRHWJKZ-QGTPRVQTSA-N	1	0	368.437	1.504	20	30		FDEDRO
C[C@H](CC[NH+](C)C)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O	ZINC000505503977	815756651	/nfs/dbraw/zinc/75/66/51/815756651.db2.gz	YLNYNXMWXSRMAO-CZUORRHYSA-N	1	0	371.441	1.220	20	30		FDEDRO
C=CCN(C(=O)C[C@@H]1CSCC[NH2+]1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000434874397	815819748	/nfs/dbraw/zinc/81/97/48/815819748.db2.gz	BKLCVPSHHQPFHH-GDBMZVCRSA-N	1	0	372.498	1.833	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cnc[nH]c2=O)C1	ZINC001087465840	815837229	/nfs/dbraw/zinc/83/72/29/815837229.db2.gz	LPGVCCJOCXRBBI-SJLPKXTDSA-N	1	0	368.412	1.933	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]CCNC(=O)Cc2cccc(F)c2)cc1	ZINC000514825528	816000805	/nfs/dbraw/zinc/00/08/05/816000805.db2.gz	YMFZCNGXZRWLQC-SFHVURJKSA-N	1	0	371.412	1.386	20	30		FDEDRO
C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000514939816	816042007	/nfs/dbraw/zinc/04/20/07/816042007.db2.gz	QGILBKKUSRCETF-ZIAGYGMSSA-N	1	0	358.442	1.170	20	30		FDEDRO
Cn1ncc(C(=O)N2CC[C@H]3CN(Cc4cc(C#N)ccc4F)C[C@H]32)c1N	ZINC001075718074	816082635	/nfs/dbraw/zinc/08/26/35/816082635.db2.gz	VAXIUTDFBLZGSO-SUMWQHHRSA-N	1	0	368.416	1.360	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CCN[C@@H]2CCN(c3ccccc3)C2=O)nc1	ZINC000515055133	816085736	/nfs/dbraw/zinc/08/57/36/816085736.db2.gz	RRLNHDYIQZTOMC-MRXNPFEDSA-N	1	0	370.434	1.122	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21	ZINC000425396421	816105110	/nfs/dbraw/zinc/10/51/10/816105110.db2.gz	ZCBJUQZYLBFUBY-PKOBYXMFSA-N	1	0	371.481	1.762	20	30		FDEDRO
C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)C1	ZINC000435629330	816123122	/nfs/dbraw/zinc/12/31/22/816123122.db2.gz	UEIFAXZZFWJOPK-AWEZNQCLSA-N	1	0	358.417	1.826	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c1	ZINC000515427321	816256653	/nfs/dbraw/zinc/25/66/53/816256653.db2.gz	ZCIVRTLTCGNMAT-KRWDZBQOSA-N	1	0	355.442	1.685	20	30		FDEDRO
C[NH+]=C(NCc1nnc(-c2ccc(OC)cc2)[nH]1)N1CC[C@@]2(CCOC2)C1	ZINC000261935115	816506311	/nfs/dbraw/zinc/50/63/11/816506311.db2.gz	CGVCZTHNPSJXPB-LJQANCHMSA-N	1	0	370.457	1.668	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1	ZINC000516465284	816848607	/nfs/dbraw/zinc/84/86/07/816848607.db2.gz	CERKSLKBAJCCGR-IBGZPJMESA-N	1	0	368.481	1.846	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1	ZINC000516465285	816848840	/nfs/dbraw/zinc/84/88/40/816848840.db2.gz	CERKSLKBAJCCGR-LJQANCHMSA-N	1	0	368.481	1.846	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](CO)C2CCOCC2)c1C	ZINC000516505219	816861493	/nfs/dbraw/zinc/86/14/93/816861493.db2.gz	SKXDJFYGEGRSPW-GOSISDBHSA-N	1	0	359.470	1.927	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccncc1OCC[NH+](C)C	ZINC000516600965	816917760	/nfs/dbraw/zinc/91/77/60/816917760.db2.gz	MRYITXLYWRVHSJ-OAHLLOKOSA-N	1	0	368.437	1.977	20	30		FDEDRO
N#CCCNC(=O)C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000427846931	817113644	/nfs/dbraw/zinc/11/36/44/817113644.db2.gz	BIIZCDUFXYTCPX-MRXNPFEDSA-N	1	0	366.425	1.298	20	30		FDEDRO
N#C[C@H]1CC[C@@H](NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1	ZINC000425851665	817228613	/nfs/dbraw/zinc/22/86/13/817228613.db2.gz	UECNHZKYBVEZGC-MANSERQUSA-N	1	0	356.470	1.861	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1	ZINC000425874792	817289066	/nfs/dbraw/zinc/28/90/66/817289066.db2.gz	DHSVFNKMNUQIPN-NCOADZHNSA-N	1	0	365.518	1.566	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1	ZINC000425881866	817298447	/nfs/dbraw/zinc/29/84/47/817298447.db2.gz	DCAKHWYKMVAWJF-CPUCHLNUSA-N	1	0	354.454	1.819	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCCC1CC[NH+](C)CC1	ZINC000425891173	817311916	/nfs/dbraw/zinc/31/19/16/817311916.db2.gz	XQOVCQQKVYDTNK-OAHLLOKOSA-N	1	0	356.470	1.926	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)Cc1ncc(C)c(OC)c1C	ZINC000425909673	817365885	/nfs/dbraw/zinc/36/58/85/817365885.db2.gz	QKMRVTSVTHFQGZ-HOCLYGCPSA-N	1	0	361.442	1.373	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H](C)NC(=O)c2[nH]nc3ccccc32)CC1	ZINC000517998808	817666778	/nfs/dbraw/zinc/66/67/78/817666778.db2.gz	PLCWWUYFRGOWTA-ZDUSSCGKSA-N	1	0	355.442	1.448	20	30		FDEDRO
Cc1nnc(CNC(=[NH+]C2CCCC2)N2CCC[C@H](CC(N)=O)C2)n1C	ZINC000261959860	817797950	/nfs/dbraw/zinc/79/79/50/817797950.db2.gz	JVFXQMUUDUGIHQ-CQSZACIVSA-N	1	0	361.494	1.099	20	30		FDEDRO
C[C@H]1COCC[N@@H+]1C1CCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1	ZINC000518393612	817864870	/nfs/dbraw/zinc/86/48/70/817864870.db2.gz	HJRHTJCIOSOAEB-KRWDZBQOSA-N	1	0	362.518	1.856	20	30		FDEDRO
C[NH+]=C(NCc1cccnc1N1CCOCC1)N1CC[C@]2(CCOC2)C1	ZINC000261992245	817963232	/nfs/dbraw/zinc/96/32/32/817963232.db2.gz	RNANFKOSPROABL-IBGZPJMESA-N	1	0	359.474	1.106	20	30		FDEDRO
CCOC(=O)[C@]1(COC)CCC[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1	ZINC000439474969	817973144	/nfs/dbraw/zinc/97/31/44/817973144.db2.gz	CUUABRLUBCKGRD-KFKAGJAMSA-N	1	0	367.490	1.721	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C)S(C)(=O)=O)C[C@]2(C)C1	ZINC001101280126	818036565	/nfs/dbraw/zinc/03/65/65/818036565.db2.gz	HBUCBLKPSYXBQX-NUJGCVRESA-N	1	0	356.532	1.946	20	30		FDEDRO
C=CCOc1ccc(/C=C\C(=O)NCCN2CC[NH+](C)CC2)cc1OC	ZINC000843753634	818243559	/nfs/dbraw/zinc/24/35/59/818243559.db2.gz	ARRAIPWLTRYSAA-VURMDHGXSA-N	1	0	359.470	1.637	20	30		FDEDRO
C#CCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1	ZINC001087476918	818393981	/nfs/dbraw/zinc/39/39/81/818393981.db2.gz	MAMHKIUMFOZLQM-HOJAQTOUSA-N	1	0	355.482	1.554	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1ccon1	ZINC000983653325	818396381	/nfs/dbraw/zinc/39/63/81/818396381.db2.gz	VRBQVSVKNWFZET-VYDXJSESSA-N	1	0	358.442	1.129	20	30		FDEDRO
COc1ccc([C@@H]2CCN(CC#N)C[C@@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)cc1	ZINC001087477058	818397939	/nfs/dbraw/zinc/39/79/39/818397939.db2.gz	SELJGOFRGKWVFB-NEWSRXKRSA-N	1	0	356.470	1.445	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+][C@@H]1CCN(C2CCC2)C1=O	ZINC001167985820	818779431	/nfs/dbraw/zinc/77/94/31/818779431.db2.gz	NSZTYCFJCAZHKH-KSZLIROESA-N	1	0	363.502	1.607	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccsc4C)[C@@H]3C2)C1=O	ZINC001075771786	819060489	/nfs/dbraw/zinc/06/04/89/819060489.db2.gz	DXMCZLGZQWRPFS-BHYGNILZSA-N	1	0	359.495	1.990	20	30		FDEDRO
C[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H]1C[NH3+]	ZINC000520376416	819319497	/nfs/dbraw/zinc/31/94/97/819319497.db2.gz	ZCODQNMPJZQAGQ-JLSDUUJJSA-N	1	0	369.469	1.285	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H]2CCCC23CCOCC3)CC1	ZINC000328659218	819524404	/nfs/dbraw/zinc/52/44/04/819524404.db2.gz	SHSOTSGHDIHMIW-ZWKOTPCHSA-N	1	0	362.518	1.618	20	30		FDEDRO
O=C(C[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O)NC[C@@H]1Cc2ccccc2O1	ZINC000328837613	819561956	/nfs/dbraw/zinc/56/19/56/819561956.db2.gz	TUYUDPZZAMXYOH-FJIDUMEYSA-N	1	0	360.454	1.808	20	30		FDEDRO
O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC1)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000328889961	819578637	/nfs/dbraw/zinc/57/86/37/819578637.db2.gz	RGYJJVJELGYTGH-QILLFSRXSA-N	1	0	364.490	1.842	20	30		FDEDRO
Cc1noc([C@H]2CCN(C(=O)Nc3ccc(N4CCOCC4)nc3C)C2)n1	ZINC000328937097	819583973	/nfs/dbraw/zinc/58/39/73/819583973.db2.gz	CVHXCWKRFMFDRU-AWEZNQCLSA-N	1	0	372.429	1.953	20	30		FDEDRO
Cc1noc([C@H]2CN(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CCN2C)n1	ZINC000328943903	819585061	/nfs/dbraw/zinc/58/50/61/819585061.db2.gz	FYLSGFFYDHPQQI-CQSZACIVSA-N	1	0	364.494	1.890	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1c(=O)[nH]c3ccccc31)C2	ZINC001112536038	819623360	/nfs/dbraw/zinc/62/33/60/819623360.db2.gz	NDOUGHOWJNIPKJ-KKSFZXQISA-N	1	0	366.465	1.984	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C[C@H]1C	ZINC000330644714	819628151	/nfs/dbraw/zinc/62/81/51/819628151.db2.gz	KQQOMQMMOPLABR-CEXWTWQISA-N	1	0	363.550	1.483	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)Cn2cccn2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001087502405	819641891	/nfs/dbraw/zinc/64/18/91/819641891.db2.gz	GKNWKAWNBIDZRT-RBUKOAKNSA-N	1	0	367.453	1.955	20	30		FDEDRO
CC[C@@H]1CN(C(=O)Nc2ccnc(C(=O)N(C)C)c2)CC[N@@H+]1C[C@@H](C)O	ZINC000331140685	819667007	/nfs/dbraw/zinc/66/70/07/819667007.db2.gz	KFFFAGPUBLLBMA-UKRRQHHQSA-N	1	0	363.462	1.106	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cccnc2C)C[C@H]1C(F)(F)F	ZINC001112154337	819723139	/nfs/dbraw/zinc/72/31/39/819723139.db2.gz	GYYTWYVIXCEJLO-HUUCEWRRSA-N	1	0	355.360	1.632	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)c2cc[nH]c2)CC1	ZINC000983852023	819787572	/nfs/dbraw/zinc/78/75/72/819787572.db2.gz	UZEYKPISEBYAEQ-APWZRJJASA-N	1	0	370.497	1.717	20	30		FDEDRO
CC[NH+]=C(NC[C@](C)(O)c1ccco1)N1CCN(c2ccccn2)CC1	ZINC000080658994	819944238	/nfs/dbraw/zinc/94/42/38/819944238.db2.gz	NKUGCYCIIPESSO-IBGZPJMESA-N	1	0	357.458	1.670	20	30		FDEDRO
CC#CC[C@H](CO)[NH2+]C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1	ZINC000895098100	820298717	/nfs/dbraw/zinc/29/87/17/820298717.db2.gz	JJUOXSGDMVTUOK-JKSUJKDBSA-N	1	0	367.490	1.114	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(Cc2cnc3ccc(C#N)cn23)CC1	ZINC000520660368	820329348	/nfs/dbraw/zinc/32/93/48/820329348.db2.gz	QCDFBRWVGANAOV-UHFFFAOYSA-N	1	0	371.485	1.765	20	30		FDEDRO
COc1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)ncn1	ZINC001075798831	820443335	/nfs/dbraw/zinc/44/33/35/820443335.db2.gz	PZUIHYMOKACURS-FUHWJXTLSA-N	1	0	363.421	1.703	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H](O)COC)C2)CC1	ZINC001112161264	820605368	/nfs/dbraw/zinc/60/53/68/820605368.db2.gz	NFMHVPGCVNGZOL-MGPQQGTHSA-N	1	0	364.408	1.719	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000984036214	820627925	/nfs/dbraw/zinc/62/79/25/820627925.db2.gz	AFMUOOKTQWQSES-XYJFISCASA-N	1	0	371.485	1.680	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CC1(N2CCC(OC)CC2)CCCC1	ZINC000520777686	820681747	/nfs/dbraw/zinc/68/17/47/820681747.db2.gz	KCYDCFVHVJSFJY-HNNXBMFYSA-N	1	0	366.506	1.400	20	30		FDEDRO
C=C(Br)CN1CC[C@H](NC(=O)[C@H](C)n2cncn2)[C@H]1CC	ZINC001087546903	821277997	/nfs/dbraw/zinc/27/79/97/821277997.db2.gz	LDLUUBQHEGCHJF-RWMBFGLXSA-N	1	0	356.268	1.717	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cn1	ZINC000521924143	821397204	/nfs/dbraw/zinc/39/72/04/821397204.db2.gz	GJXGKBCMJWQQCP-QGZVFWFLSA-N	1	0	351.410	1.703	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)Cc2nnc(C)o2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087563080	821503342	/nfs/dbraw/zinc/50/33/42/821503342.db2.gz	CTXWIXTWTUUPJV-ZWKOTPCHSA-N	1	0	352.438	1.941	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CC[N@H+](C)C[C@@H]1C	ZINC000522097494	821503709	/nfs/dbraw/zinc/50/37/09/821503709.db2.gz	DRQOZHQXUQUACH-AWEZNQCLSA-N	1	0	361.490	1.588	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087592351	821634927	/nfs/dbraw/zinc/63/49/27/821634927.db2.gz	KEAMTQTWFWVANS-OKZBNKHCSA-N	1	0	354.454	1.506	20	30		FDEDRO
CCOC(=O)Cn1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(-c2cnn(C)c2)n1	ZINC000895229886	821954512	/nfs/dbraw/zinc/95/45/12/821954512.db2.gz	YOVHBHITDKRJOM-HNNXBMFYSA-N	1	0	370.457	1.972	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCN3CCCC3=O)[C@@H]2CC)cc1	ZINC001087682297	822014864	/nfs/dbraw/zinc/01/48/64/822014864.db2.gz	QAQCTIFNMAHYOB-RBUKOAKNSA-N	1	0	353.466	1.873	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@]45C[C@H]4COC5)[C@@H]3C2)cc1C#N	ZINC001075817936	822181972	/nfs/dbraw/zinc/18/19/72/822181972.db2.gz	UWCPFCMVRVXAIB-JWVYWZTKSA-N	1	0	367.449	1.636	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087728418	822256949	/nfs/dbraw/zinc/25/69/49/822256949.db2.gz	WBRUUEMFTNOGFP-MAUKXSAKSA-N	1	0	365.437	1.768	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(C(N)=O)c2)[C@@H]1CC	ZINC001087732346	822277288	/nfs/dbraw/zinc/27/72/88/822277288.db2.gz	QPEQHJYIYYOCQQ-HCXYKTFWSA-N	1	0	371.481	1.846	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)c(F)c1	ZINC000522303906	822378055	/nfs/dbraw/zinc/37/80/55/822378055.db2.gz	BDWURNUXTCIZSW-OAHLLOKOSA-N	1	0	357.433	1.766	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2(CF)CCC2)C[C@H]1C(F)(F)F	ZINC001112168102	822466917	/nfs/dbraw/zinc/46/69/17/822466917.db2.gz	WDHGEOBMSYZFAG-CHWSQXEVSA-N	1	0	350.356	1.755	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCCc3cccc(F)c3)C[C@@H]2O)c[nH]1	ZINC001083417733	822506795	/nfs/dbraw/zinc/50/67/95/822506795.db2.gz	AOTUYPCMLOAAQN-MSOLQXFVSA-N	1	0	356.401	1.433	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087831102	822527222	/nfs/dbraw/zinc/52/72/22/822527222.db2.gz	RWMZSJHFUIQUBF-PKOBYXMFSA-N	1	0	364.449	1.748	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3cscn3)[C@@H]2CC)CC1	ZINC001087839169	822560283	/nfs/dbraw/zinc/56/02/83/822560283.db2.gz	OESWRNHLVXWYFO-ZWKOTPCHSA-N	1	0	360.527	1.957	20	30		FDEDRO
COC(=O)[C@@]1(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C[C@@H]1S(C)(=O)=O	ZINC000895510079	822632490	/nfs/dbraw/zinc/63/24/90/822632490.db2.gz	IAXSZFUKEHLXGF-MAUKXSAKSA-N	1	0	364.467	1.554	20	30		FDEDRO
O=C(C1=COCCO1)N1C[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)CC[C@@H]2C1	ZINC001087874334	822669610	/nfs/dbraw/zinc/66/96/10/822669610.db2.gz	RPJBXGUQPQEPOY-MSOLQXFVSA-N	1	0	370.424	1.846	20	30		FDEDRO
Cn1cc(CC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4C#N)CC[C@@H]3C2)cn1	ZINC001087906527	823736344	/nfs/dbraw/zinc/73/63/44/823736344.db2.gz	LNEZSZYXOYFSMW-UXHICEINSA-N	1	0	363.465	1.815	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccoc1CC(N)=O	ZINC000508573476	828561294	/nfs/dbraw/zinc/56/12/94/828561294.db2.gz	ZWWOALBRSNIHGM-UHFFFAOYSA-N	1	0	354.410	1.383	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCC(=O)N4)C[C@@H]3C2)c(F)c1	ZINC001087909996	823759765	/nfs/dbraw/zinc/75/97/65/823759765.db2.gz	IHKTVZRGTYAFCD-UWWQBHOKSA-N	1	0	370.428	1.256	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)COCCCOC)C[C@H]1C(F)(F)F	ZINC001112191011	828586649	/nfs/dbraw/zinc/58/66/49/828586649.db2.gz	DDKCUILWTBNOLB-ZIAGYGMSSA-N	1	0	368.396	1.221	20	30		FDEDRO
Cc1noc(CCC[N@@H+]2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]3C2)n1	ZINC001087925644	823938722	/nfs/dbraw/zinc/93/87/22/823938722.db2.gz	XLELACKYKGNTRJ-CVEARBPZSA-N	1	0	368.441	1.605	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccn(C)c4)C[C@@H]3C2)C1=O	ZINC001087934194	823991258	/nfs/dbraw/zinc/99/12/58/823991258.db2.gz	VOMMLZGEMKEDGQ-NJAFHUGGSA-N	1	0	356.470	1.206	20	30		FDEDRO
N#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](CCO[C@@H]4CC4(F)F)CC[C@@H]3C2)[nH]1	ZINC001087938813	824017291	/nfs/dbraw/zinc/01/72/91/824017291.db2.gz	LWLNUUFWHRBMIK-DVOMOZLQSA-N	1	0	364.396	1.704	20	30		FDEDRO
COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]3C2)nn1	ZINC001087939078	824019488	/nfs/dbraw/zinc/01/94/88/824019488.db2.gz	YAGCLSOATFMEOV-KGLIPLIRSA-N	1	0	366.425	1.279	20	30		FDEDRO
Cn1cnc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)c(F)c4)CC[C@@H]3C2)n1	ZINC001087957219	824153755	/nfs/dbraw/zinc/15/37/55/824153755.db2.gz	FVFWOOUACDCRSW-CVEARBPZSA-N	1	0	368.416	1.420	20	30		FDEDRO
CCn1nncc1C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)CC[C@@H]2C1	ZINC001087959008	824174298	/nfs/dbraw/zinc/17/42/98/824174298.db2.gz	LAGWLHPCLQQUGP-MSOLQXFVSA-N	1	0	364.453	1.764	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ncc[nH]4)C[C@@H]3C2)cc1	ZINC001087960519	824191723	/nfs/dbraw/zinc/19/17/23/824191723.db2.gz	ZEVQBKPLKYNMCT-SJORKVTESA-N	1	0	365.437	1.906	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4(C(F)F)CC4)C[C@@H]3C2)C1=O	ZINC001087965378	824234258	/nfs/dbraw/zinc/23/42/58/824234258.db2.gz	CHIUIHSLRPAXBR-QLFBSQMISA-N	1	0	367.440	1.599	20	30		FDEDRO
C[N@@H+]1CC[C@H](C(=O)NCCNC(=O)C2N=CC=CC2=O)[C@@H]1c1ccccc1	ZINC000896302188	824288132	/nfs/dbraw/zinc/28/81/32/824288132.db2.gz	KPEAFBREBLKBFA-LXMAKODISA-N	1	0	368.437	1.322	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H](O)COC)C1	ZINC001112172405	824492334	/nfs/dbraw/zinc/49/23/34/824492334.db2.gz	CFUGPDQNRPFGKN-JHJVBQTASA-N	1	0	352.397	1.575	20	30		FDEDRO
CC1CC[NH+](C[C@H](O)CNC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)CC1	ZINC000329038921	824540458	/nfs/dbraw/zinc/54/04/58/824540458.db2.gz	SCHSNOUHOIGJJG-JFIYKMOQSA-N	1	0	364.490	1.937	20	30		FDEDRO
Cc1noc([C@@H]2CN(C(=O)N[C@H](C)C[N@@H+]3CCC[C@@H](C)C3)CCN2C)n1	ZINC000329109481	824592966	/nfs/dbraw/zinc/59/29/66/824592966.db2.gz	FZRWLADBOBXWSP-FMKPAKJESA-N	1	0	364.494	1.701	20	30		FDEDRO
Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C	ZINC000329139267	824618713	/nfs/dbraw/zinc/61/87/13/824618713.db2.gz	FFEJQMOJZBPVHR-JLZZUVOBSA-N	1	0	361.490	1.807	20	30		FDEDRO
Cc1ccc(NC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)cc1N1CCNC1=O	ZINC000329150867	824632557	/nfs/dbraw/zinc/63/25/57/824632557.db2.gz	ZTBAFLWLVSEKLW-IAGOWNOFSA-N	1	0	373.457	1.679	20	30		FDEDRO
CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(CC(=O)N2CCC[C@H](NC(C)=O)C2)C1	ZINC000329196756	824661626	/nfs/dbraw/zinc/66/16/26/824661626.db2.gz	TWAKVVWAYKTUGB-BZSNNMDCSA-N	1	0	366.506	1.139	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(C)c3ccccc3C2)CC1	ZINC000329207698	824667103	/nfs/dbraw/zinc/66/71/03/824667103.db2.gz	BLRKHQZVQUXTPX-HXUWFJFHSA-N	1	0	369.513	1.631	20	30		FDEDRO
COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C	ZINC000329236826	824687352	/nfs/dbraw/zinc/68/73/52/824687352.db2.gz	OORDLWDWZOCNOV-KFWWJZLASA-N	1	0	362.478	1.732	20	30		FDEDRO
CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)C1	ZINC000329269694	824703467	/nfs/dbraw/zinc/70/34/67/824703467.db2.gz	FGXAVCYJSZSLLM-DLBZAZTESA-N	1	0	365.522	1.997	20	30		FDEDRO
N#Cc1c(F)cccc1N1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1	ZINC000329304249	824725161	/nfs/dbraw/zinc/72/51/61/824725161.db2.gz	OFSAQAPOZBGRPD-AWEZNQCLSA-N	1	0	357.433	1.970	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(C(N)=O)cc2)C1	ZINC001029847766	828686758	/nfs/dbraw/zinc/68/67/58/828686758.db2.gz	XEKDRFOCUXVZEE-UHOSZYNNSA-N	1	0	371.481	1.657	20	30		FDEDRO
CC1CC[NH+](C2CCC(NC(=O)NCCN3CCNC(=O)C3)CC2)CC1	ZINC000329329005	824738685	/nfs/dbraw/zinc/73/86/85/824738685.db2.gz	YAFLAIGGSMTJHJ-UHFFFAOYSA-N	1	0	365.522	1.805	20	30		FDEDRO
O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)N[C@H]1CC[N@@H+](C2CC2)C1	ZINC000329329570	824739519	/nfs/dbraw/zinc/73/95/19/824739519.db2.gz	YMKPVSHJHDIPCP-PKOBYXMFSA-N	1	0	358.486	1.628	20	30		FDEDRO
C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](c1nccn1C)C1CCOCC1	ZINC000329332862	824742002	/nfs/dbraw/zinc/74/20/02/824742002.db2.gz	JWKLBEVCPJCIOB-DJIMGWMZSA-N	1	0	361.490	1.970	20	30		FDEDRO
C[N@H+](Cc1cc(C#N)ccc1F)C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1	ZINC000985646427	828692631	/nfs/dbraw/zinc/69/26/31/828692631.db2.gz	FLTLQMDXNOODOZ-CVEARBPZSA-N	1	0	358.417	1.242	20	30		FDEDRO
CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000329531465	824861009	/nfs/dbraw/zinc/86/10/09/824861009.db2.gz	JJOXUNAYIKJJLA-MZIYAPOESA-N	1	0	363.502	1.757	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)C[N@H+](C)C1CCC1	ZINC000984780146	824887816	/nfs/dbraw/zinc/88/78/16/824887816.db2.gz	ZRDVFECOUXYDAM-DOTOQJQBSA-N	1	0	357.458	1.480	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@@H]4CCNC4=O)C[C@@H]3C2)cc1	ZINC001087990451	824933386	/nfs/dbraw/zinc/93/33/86/824933386.db2.gz	GKQIFUQQIRCWBK-OTWHNJEPSA-N	1	0	366.465	1.365	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@H]4CCNC4=O)C[C@@H]3C2)cc1	ZINC001087990452	824933572	/nfs/dbraw/zinc/93/35/72/824933572.db2.gz	GKQIFUQQIRCWBK-QRVBRYPASA-N	1	0	366.465	1.365	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4c3oc(=O)n4C)C[C@@H]2C1	ZINC001087993449	824957710	/nfs/dbraw/zinc/95/77/10/824957710.db2.gz	PBSGYZRKCNOFES-CABCVRRESA-N	1	0	353.422	1.549	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c(c3)OCC(=O)N4)C[C@@H]2C1	ZINC001087994287	824968230	/nfs/dbraw/zinc/96/82/30/824968230.db2.gz	AFXBPFXRWFOOHX-CVEARBPZSA-N	1	0	355.438	1.988	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnoc3C)CC[C@@H]2C1	ZINC001087997831	825072066	/nfs/dbraw/zinc/07/20/66/825072066.db2.gz	BERPNUNBTGPMNB-NEWSRXKRSA-N	1	0	356.470	1.361	20	30		FDEDRO
O=C(c1cnc[nH]c1=O)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001088006641	825166999	/nfs/dbraw/zinc/16/69/99/825166999.db2.gz	PMBJHNSPXGYTGY-MSOLQXFVSA-N	1	0	362.433	1.628	20	30		FDEDRO
C[C@@H]1C[C@H](CCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCO1	ZINC000329659383	825211454	/nfs/dbraw/zinc/21/14/54/825211454.db2.gz	OAPUWKZNABJUSB-IAGOWNOFSA-N	1	0	366.506	1.346	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C)nn2CCC#N)[C@@H](C)C1	ZINC000525901847	828758987	/nfs/dbraw/zinc/75/89/87/828758987.db2.gz	RMZMFAQOWRMPQY-ZFWWWQNUSA-N	1	0	360.462	1.232	20	30		FDEDRO
O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCC[C@]2(CNC(=O)C2)C1	ZINC000329686347	825302685	/nfs/dbraw/zinc/30/26/85/825302685.db2.gz	BJZCOAZLNMQYHH-KXBFYZLASA-N	1	0	364.490	1.844	20	30		FDEDRO
O=C([C@@H]1CCC(=O)NC1)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001088022504	825353370	/nfs/dbraw/zinc/35/33/70/825353370.db2.gz	NCADQVBBGXBFSV-AQNXPRMDSA-N	1	0	365.477	1.345	20	30		FDEDRO
Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1	ZINC000329757941	825430077	/nfs/dbraw/zinc/43/00/77/825430077.db2.gz	ZSFJOAFLOPPPPV-BVIKNXMNSA-N	1	0	361.490	1.828	20	30		FDEDRO
Cc1nn(C)cc1[C@H](C)NC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1	ZINC000329815776	825478320	/nfs/dbraw/zinc/47/83/20/825478320.db2.gz	FDOZKRTYPBLAID-DOTOQJQBSA-N	1	0	362.522	1.805	20	30		FDEDRO
Cc1c([C@@H]2[C@H](C(=O)N[C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)CC(=O)N2C)cnn1C	ZINC000329870460	825515816	/nfs/dbraw/zinc/51/58/16/825515816.db2.gz	ABPMFKRXXIPQNR-XZKYRNBSSA-N	1	0	359.474	1.830	20	30		FDEDRO
CCc1noc(C)c1CN1C[C@@H](NC(=O)CSCC#N)[C@H](OC)C1	ZINC001211888803	825518047	/nfs/dbraw/zinc/51/80/47/825518047.db2.gz	PGHOWAGHILTMOU-HUUCEWRRSA-N	1	0	352.460	1.118	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C([O-])=[NH+][C@@H]2CCc3c[nH]nc3C2)CC1	ZINC000329883094	825521440	/nfs/dbraw/zinc/52/14/40/825521440.db2.gz	QSDDKVOTNIJHTF-SOLBZPMBSA-N	1	0	374.533	1.671	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C(F)(F)F)ncn3)C[C@@H]2C1	ZINC001088038955	825523074	/nfs/dbraw/zinc/52/30/74/825523074.db2.gz	PWWOEDUTOIJRJE-OLZOCXBDSA-N	1	0	352.360	1.913	20	30		FDEDRO
CC(=O)N1CCC(CNC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1	ZINC000329897823	825529019	/nfs/dbraw/zinc/52/90/19/825529019.db2.gz	LRDGPDSSKSWWET-UHFFFAOYSA-N	1	0	372.513	1.997	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2noc(C)n2)C1	ZINC000329926505	825545947	/nfs/dbraw/zinc/54/59/47/825545947.db2.gz	WFHHWFXFAWQCQE-KKUMJFAQSA-N	1	0	368.457	1.278	20	30		FDEDRO
C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCn3ncnc3C2)CC1	ZINC000329933691	825550142	/nfs/dbraw/zinc/55/01/42/825550142.db2.gz	QFUSZDUEWNGKNY-AWEZNQCLSA-N	1	0	355.446	1.628	20	30		FDEDRO
C[C@@H](NC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ncnn1C	ZINC000329939521	825553868	/nfs/dbraw/zinc/55/38/68/825553868.db2.gz	TYXBICDIIUMCSQ-QLFBSQMISA-N	1	0	364.494	1.611	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccnc(C(=O)N(C)C)c1	ZINC000329941361	825556429	/nfs/dbraw/zinc/55/64/29/825556429.db2.gz	UYTUGWSFCOYSSQ-CQSZACIVSA-N	1	0	362.478	1.135	20	30		FDEDRO
C[C@@]1(C(=O)N2C[C@@H]3C[N@@H+](CC#Cc4ccccc4)CC[C@@H]3C2)CNC(=O)C1	ZINC001088050318	825598486	/nfs/dbraw/zinc/59/84/86/825598486.db2.gz	BCDIBOLLHVXHDL-DXIQSLLYSA-N	1	0	365.477	1.345	20	30		FDEDRO
COCCOc1ncccc1NC(=O)N1CC[NH+](C2CCOCC2)CC1	ZINC000330032849	825606677	/nfs/dbraw/zinc/60/66/77/825606677.db2.gz	VEMULUTYYVKBTE-UHFFFAOYSA-N	1	0	364.446	1.449	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3nc4ccccn4c3=O)C[C@@H]2C1	ZINC001088058761	825689534	/nfs/dbraw/zinc/68/95/34/825689534.db2.gz	QOQXWBNKFSAGKC-SJORKVTESA-N	1	0	369.469	1.243	20	30		FDEDRO
O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCOC2(CCOCC2)C1	ZINC000330184816	825710838	/nfs/dbraw/zinc/71/08/38/825710838.db2.gz	QYUZYFNZSDRJFK-INIZCTEOSA-N	1	0	367.490	1.283	20	30		FDEDRO
CC[C@@H]1CN(C(=O)NCc2c(C)cc(C)[nH]c2=O)C[C@@H]1N1CCOCC1	ZINC000330219076	825737899	/nfs/dbraw/zinc/73/78/99/825737899.db2.gz	JWSNLRZZWPIPSH-WBVHZDCISA-N	1	0	362.474	1.861	20	30		FDEDRO
C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@H]1CO	ZINC000330281017	825792811	/nfs/dbraw/zinc/79/28/11/825792811.db2.gz	UAAIAVDLKCSHNP-NZSAHSFTSA-N	1	0	361.486	1.752	20	30		FDEDRO
CN(C)c1ncccc1O[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1	ZINC000330282782	825793621	/nfs/dbraw/zinc/79/36/21/825793621.db2.gz	AUHFLCOQMSSTLV-GOEBONIOSA-N	1	0	359.474	1.751	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1cccnc1N1CC[NH+](C)CC1	ZINC000281338129	825940861	/nfs/dbraw/zinc/94/08/61/825940861.db2.gz	CXBFQAFRNCNJFV-FUHWJXTLSA-N	1	0	373.501	1.614	20	30		FDEDRO
C[C@@H](O)CN1CCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CC1	ZINC000281601996	826076024	/nfs/dbraw/zinc/07/60/24/826076024.db2.gz	YGHDEFGVKYAXJF-OAHLLOKOSA-N	1	0	353.470	1.987	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C1=O	ZINC000281625735	826119148	/nfs/dbraw/zinc/11/91/48/826119148.db2.gz	GFONWIRCMQCYMJ-IBGZPJMESA-N	1	0	370.497	1.293	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCCN3C3CCCC3)C[C@@H]2C1	ZINC001088079054	826130305	/nfs/dbraw/zinc/13/03/05/826130305.db2.gz	KODZMVJHQZPTKF-HBFSDRIKSA-N	1	0	361.530	1.986	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCN(CC(F)(F)F)C3)C[C@@H]2C1	ZINC001088082479	826190967	/nfs/dbraw/zinc/19/09/67/826190967.db2.gz	RSGHZSTVBOQCHH-OAGGEKHMSA-N	1	0	357.420	1.674	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1=O	ZINC000281744591	826194230	/nfs/dbraw/zinc/19/42/30/826194230.db2.gz	OYIVCURUKXZXNU-IBGZPJMESA-N	1	0	370.497	1.444	20	30		FDEDRO
[NH2+]=C(NCc1ccc2c(c1)C(=O)NCC2)N[C@H]1CCOc2ccccc21	ZINC000262394727	826301062	/nfs/dbraw/zinc/30/10/62/826301062.db2.gz	SKWWSBRBXBFHGZ-KRWDZBQOSA-N	1	0	350.422	1.901	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000985086354	826313338	/nfs/dbraw/zinc/31/33/38/826313338.db2.gz	FSRAJRDBKLSMKS-USXIJHARSA-N	1	0	357.458	1.480	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H]3C[N@@H+](C[C@@H](O)Cn4cccn4)CC[C@@H]3C2)C1	ZINC001088098325	826386491	/nfs/dbraw/zinc/38/64/91/826386491.db2.gz	DMBCBBHLRWOUGW-FGTMMUONSA-N	1	0	358.486	1.381	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3C[N@H+](CC(=O)N4CCCC4)CC[C@@H]3C2)c1	ZINC001088099482	826390366	/nfs/dbraw/zinc/39/03/66/826390366.db2.gz	NCVAZDUNSFADGI-MJGOQNOKSA-N	1	0	366.465	1.079	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(Cc3cn(CC)nn3)C[C@H]2C1	ZINC001088113259	826445558	/nfs/dbraw/zinc/44/55/58/826445558.db2.gz	YEKQTSOABIBUTH-ATLSCFEFSA-N	1	0	359.474	1.169	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H]3C[N@@H+](C[C@H]4CCOC4)CC[C@@H]3C2)nn1	ZINC001088135528	826587748	/nfs/dbraw/zinc/58/77/48/826587748.db2.gz	PTCPVQGLVIIFKI-ZACQAIPSSA-N	1	0	359.474	1.285	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nn1	ZINC001088135715	826590453	/nfs/dbraw/zinc/59/04/53/826590453.db2.gz	YQDUBVMUUQFEHX-SJORKVTESA-N	1	0	369.473	1.182	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC000985160421	826649801	/nfs/dbraw/zinc/64/98/01/826649801.db2.gz	GGQSUBJIYHNQBO-UKPHBRMFSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cn4nc(C)cc4[nH]c3=O)C[C@@H]2C1	ZINC001088140906	826655296	/nfs/dbraw/zinc/65/52/96/826655296.db2.gz	KLRYDSAIFDQEOC-CABCVRRESA-N	1	0	355.442	1.301	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)[C@H]2CC)c1	ZINC000985165964	826671794	/nfs/dbraw/zinc/67/17/94/826671794.db2.gz	GFPUKARORBSGKH-NZSAHSFTSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)CC1	ZINC000928650922	826817229	/nfs/dbraw/zinc/81/72/29/826817229.db2.gz	ILWSZABXVQXXRJ-AWEZNQCLSA-N	1	0	353.488	1.510	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCOC)C1	ZINC001112177874	826824410	/nfs/dbraw/zinc/82/44/10/826824410.db2.gz	GDCRCEZQFVCMOV-YJNKXOJESA-N	1	0	364.408	1.983	20	30		FDEDRO
C=C(C)COc1cc(C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)ccc1OC	ZINC000897057521	826840103	/nfs/dbraw/zinc/84/01/03/826840103.db2.gz	DYKYSUCKRRGGOM-HNNXBMFYSA-N	1	0	354.472	1.761	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4nnc[nH]4)C[C@@H]3C2)c(F)c1	ZINC001088165196	826943759	/nfs/dbraw/zinc/94/37/59/826943759.db2.gz	SYDZVCVBOINUGF-ZBFHGGJFSA-N	1	0	368.416	1.338	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@@H]1CC	ZINC000985219684	826950435	/nfs/dbraw/zinc/95/04/35/826950435.db2.gz	XEJVUPKVTDPVJH-ZCNNSNEGSA-N	1	0	367.493	1.800	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cnc(OCC4CC4)cn3)C[C@@H]2C1	ZINC001088168861	826986050	/nfs/dbraw/zinc/98/60/50/826986050.db2.gz	WCLWWGFGRNRFNJ-SJORKVTESA-N	1	0	354.454	1.683	20	30		FDEDRO
Cn1nccc1CCC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001075845157	827197612	/nfs/dbraw/zinc/19/76/12/827197612.db2.gz	NRNIRULLWBTUEM-AZUAARDMSA-N	1	0	363.465	1.957	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(C(=O)NC)n3)C[C@@H]2C1	ZINC001088186313	827354532	/nfs/dbraw/zinc/35/45/32/827354532.db2.gz	SGGRKFQGNTYKDJ-CVEARBPZSA-N	1	0	356.470	1.801	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cn4cncn4)C[C@@H]3C2)s1	ZINC001088192913	827392854	/nfs/dbraw/zinc/39/28/54/827392854.db2.gz	AXLOZSUKSQOTKL-KGLIPLIRSA-N	1	0	356.455	1.192	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(CNC(N)=O)cc3)C[C@@H]2C1	ZINC001088195766	827405437	/nfs/dbraw/zinc/40/54/37/827405437.db2.gz	XBZRJLGHBBYJNW-MSOLQXFVSA-N	1	0	356.470	1.825	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN(C(=O)CCC)C3)C[C@@H]2C1	ZINC001088210484	827485684	/nfs/dbraw/zinc/48/56/84/827485684.db2.gz	MXQMMVJPKXENOC-QYZOEREBSA-N	1	0	359.514	1.829	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)CC2)C1	ZINC001088236411	827614738	/nfs/dbraw/zinc/61/47/38/827614738.db2.gz	UBFHERSBQBNTDG-ZCNNSNEGSA-N	1	0	360.498	1.764	20	30		FDEDRO
C[C@@H](c1cccnc1)N1CCN(C(=O)NCc2nc(C#N)cs2)CC1	ZINC000897294620	827767222	/nfs/dbraw/zinc/76/72/22/827767222.db2.gz	SFGYTVLYHPINCB-ZDUSSCGKSA-N	1	0	356.455	1.998	20	30		FDEDRO
C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@](C)(O)C[NH+](C)C	ZINC000866921621	827771474	/nfs/dbraw/zinc/77/14/74/827771474.db2.gz	ZCSUSVDIAUFPPR-LRDDRELGSA-N	1	0	363.886	1.451	20	30		FDEDRO
C[N@H+](Cc1ccc(C#N)c(F)c1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000985430980	827810345	/nfs/dbraw/zinc/81/03/45/827810345.db2.gz	KVAFPULMWMFYDB-NVXWUHKLSA-N	1	0	360.389	1.785	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC([N@H+](C)Cc3cccc(C#N)c3)CC2)C1	ZINC000985436144	827822029	/nfs/dbraw/zinc/82/20/29/827822029.db2.gz	WJNCSVOBSFYXSE-DNVCBOLYSA-N	1	0	368.481	1.896	20	30		FDEDRO
N#CC[C@@H](CC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1	ZINC000475521782	827885647	/nfs/dbraw/zinc/88/56/47/827885647.db2.gz	OGYWLTQYZCRTLY-ROUUACIJSA-N	1	0	356.470	1.778	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2cc(C)n(C)n2)C1	ZINC001029741065	827956762	/nfs/dbraw/zinc/95/67/62/827956762.db2.gz	HXMKJBQOBAIWCJ-QRQLOZEOSA-N	1	0	360.502	1.990	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cnnn2CC)C1	ZINC001029741409	827958556	/nfs/dbraw/zinc/95/85/56/827958556.db2.gz	SKLCBMZOLKGPIH-JQHSSLGASA-N	1	0	361.490	1.560	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)nn1CCC#N	ZINC000527076986	828951116	/nfs/dbraw/zinc/95/11/16/828951116.db2.gz	HHASLHXHRSQPCE-UHFFFAOYSA-N	1	0	374.489	1.623	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)CC2)cc1	ZINC000079460301	828954997	/nfs/dbraw/zinc/95/49/97/828954997.db2.gz	FPRRJAZZIRCLQE-LJQANCHMSA-N	1	0	367.497	1.870	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1	ZINC001088351836	828982043	/nfs/dbraw/zinc/98/20/43/828982043.db2.gz	MVBZGXWZYMXLFE-QRVBRYPASA-N	1	0	365.518	1.413	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@@H+](C)CCc2cnn(C)c2)CC1	ZINC000985693710	829013401	/nfs/dbraw/zinc/01/34/01/829013401.db2.gz	BAIJHQZDPLBJNT-OALUTQOASA-N	1	0	360.502	1.867	20	30		FDEDRO
C=CCCCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1	ZINC000448318828	829088215	/nfs/dbraw/zinc/08/82/15/829088215.db2.gz	CONCQLOMFBOMNL-UHFFFAOYSA-N	1	0	372.469	1.485	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1	ZINC000448903279	829293005	/nfs/dbraw/zinc/29/30/05/829293005.db2.gz	GZLYLWQWUUUNDC-UHFFFAOYSA-N	1	0	371.481	1.561	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)Cc2ccc(C#N)nc2)c1	ZINC000528378664	829372035	/nfs/dbraw/zinc/37/20/35/829372035.db2.gz	JEZKEQVBPKKKHO-UHFFFAOYSA-N	1	0	365.437	1.104	20	30		FDEDRO
CC(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1	ZINC000528369167	829374312	/nfs/dbraw/zinc/37/43/12/829374312.db2.gz	SFUGZMRKNMDVKC-FUHWJXTLSA-N	1	0	359.470	1.782	20	30		FDEDRO
CCC[N@H+](C)C[C@@H]1CCN(CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000528399087	829382573	/nfs/dbraw/zinc/38/25/73/829382573.db2.gz	JGAPCXABTLIIAT-KRWDZBQOSA-N	1	0	353.466	1.950	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CCN1CC[NH+](C2CCOCC2)CC1	ZINC000528401525	829384554	/nfs/dbraw/zinc/38/45/54/829384554.db2.gz	YAFLQZCVNRQCTE-UHFFFAOYSA-N	1	0	367.449	1.083	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCNCc1nnc(C(C)(C)C)o1	ZINC001168109559	829529271	/nfs/dbraw/zinc/52/92/71/829529271.db2.gz	BQPWGRDBLZNHMH-ZFWWWQNUSA-N	1	0	350.463	1.944	20	30		FDEDRO
Cn1c(C#N)ccc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000450180740	829846171	/nfs/dbraw/zinc/84/61/71/829846171.db2.gz	LMWQYCLNBXSSSF-WMZOPIPTSA-N	1	0	352.438	1.510	20	30		FDEDRO
Cn1c(C#N)ccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000450447750	829967145	/nfs/dbraw/zinc/96/71/45/829967145.db2.gz	XQOBFXHTYNZGKI-AEFFLSMTSA-N	1	0	352.438	1.510	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccc(OCC(=O)NC)c(OC)c1	ZINC000729812675	837407267	/nfs/dbraw/zinc/40/72/67/837407267.db2.gz	ZUWYETBJAJWWPH-HNNXBMFYSA-N	1	0	360.410	1.074	20	30		FDEDRO
CC[NH+]1CCN(CC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)CC1	ZINC000530061177	830188745	/nfs/dbraw/zinc/18/87/45/830188745.db2.gz	OHCOAQJGNUKIML-UHFFFAOYSA-N	1	0	356.470	1.318	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]3C2)C1	ZINC000985974106	830224846	/nfs/dbraw/zinc/22/48/46/830224846.db2.gz	BUGCBYPZOVLTML-OAGGEKHMSA-N	1	0	369.469	1.149	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C1	ZINC000985979070	830235158	/nfs/dbraw/zinc/23/51/58/830235158.db2.gz	IXKWDFFMBZWNIA-HFTRVMKXSA-N	1	0	369.469	1.291	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]3C2)C1	ZINC000985985059	830244137	/nfs/dbraw/zinc/24/41/37/830244137.db2.gz	ZNGAJXRRUWYNIX-UXLLHSPISA-N	1	0	369.469	1.149	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1	ZINC000729812606	837436784	/nfs/dbraw/zinc/43/67/84/837436784.db2.gz	YFVFBJUBMCMQOL-WBVHZDCISA-N	1	0	360.479	1.922	20	30		FDEDRO
CC(C)(C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O)[NH+]1CCCCC1	ZINC001083459902	837436868	/nfs/dbraw/zinc/43/68/68/837436868.db2.gz	GJEQJKNLRYVEID-MOPGFXCFSA-N	1	0	370.497	1.484	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@H]1CCCN1C(=O)Cc1cccs1	ZINC000729812604	837437103	/nfs/dbraw/zinc/43/71/03/837437103.db2.gz	YFVFBJUBMCMQOL-NVXWUHKLSA-N	1	0	360.479	1.922	20	30		FDEDRO
CC(C)[C@H](CO)[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)C(C)C	ZINC000451598484	830404739	/nfs/dbraw/zinc/40/47/39/830404739.db2.gz	OQNRDLWSOQMCSX-NSHGMRRFSA-N	1	0	366.550	1.557	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](C(=O)OC)[C@@H](c2ccccc2)C1	ZINC000452005303	830501053	/nfs/dbraw/zinc/50/10/53/830501053.db2.gz	LZRBLDLOJBFLFI-KBAYOESNSA-N	1	0	357.454	1.883	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)ccc1C#N	ZINC000453628850	830986245	/nfs/dbraw/zinc/98/62/45/830986245.db2.gz	XDKBRVJGWHRHST-ZDUSSCGKSA-N	1	0	357.458	1.827	20	30		FDEDRO
C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1	ZINC000453658890	830989966	/nfs/dbraw/zinc/98/99/66/830989966.db2.gz	UWYQSKWPMOABRU-CYBMUJFWSA-N	1	0	358.442	1.742	20	30		FDEDRO
N#CCN1CCC(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1	ZINC000532301454	831121636	/nfs/dbraw/zinc/12/16/36/831121636.db2.gz	JPMBTGLKSHTAMW-LJQANCHMSA-N	1	0	355.486	1.645	20	30		FDEDRO
Cc1ccc(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)c(=O)n1C	ZINC000262786424	831430739	/nfs/dbraw/zinc/43/07/39/831430739.db2.gz	MTOPATIWKLGFMO-UHFFFAOYSA-N	1	0	373.888	1.984	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]3C2)cn1	ZINC000986321355	831485186	/nfs/dbraw/zinc/48/51/86/831485186.db2.gz	OLHFIKUXOJLZSM-ZIFCJYIRSA-N	1	0	368.481	1.324	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]3C2)nc1	ZINC000986457693	831700877	/nfs/dbraw/zinc/70/08/77/831700877.db2.gz	UIRWAYWVAAMEFP-ZIFCJYIRSA-N	1	0	368.481	1.324	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)Cc4ncc[nH]4)C[C@H]3C2)cc1	ZINC000986470390	831731465	/nfs/dbraw/zinc/73/14/65/831731465.db2.gz	LGWBTOBXOFLBTE-MSOLQXFVSA-N	1	0	362.433	1.554	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCCOC2)C[C@H]1C(F)(F)F	ZINC001112207075	831908547	/nfs/dbraw/zinc/90/85/47/831908547.db2.gz	JXDNKTSZVZWRER-RBSFLKMASA-N	1	0	364.408	1.985	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CNC(=O)C2CCC2)C[C@H]1C(F)(F)F	ZINC001112210802	832035456	/nfs/dbraw/zinc/03/54/56/832035456.db2.gz	GKQAIWOUYAMBMG-ZIAGYGMSSA-N	1	0	361.408	1.848	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)cn2)C[C@H]1C(F)(F)F	ZINC001112213247	832090544	/nfs/dbraw/zinc/09/05/44/832090544.db2.gz	HDZOPBNQBAONRU-UKRRQHHQSA-N	1	0	354.376	1.763	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1	ZINC000986684876	832194614	/nfs/dbraw/zinc/19/46/14/832194614.db2.gz	HUZVVHVYHXHXTC-INMHGKMJSA-N	1	0	369.469	1.291	20	30		FDEDRO
C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC000986889790	832290384	/nfs/dbraw/zinc/29/03/84/832290384.db2.gz	NJJWYEZBXDVGMT-JJRVBVJISA-N	1	0	371.485	1.583	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@@H+](C)Cc2cn(C)nc2C)CC1	ZINC001029997720	832341166	/nfs/dbraw/zinc/34/11/66/832341166.db2.gz	AXZPGXYNBHCSAY-MOPGFXCFSA-N	1	0	360.502	1.990	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088519428	832382481	/nfs/dbraw/zinc/38/24/81/832382481.db2.gz	UTBRCTFBDSIAJM-KYJSFNMBSA-N	1	0	370.453	1.194	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(C[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)C1=O	ZINC000348489500	832418985	/nfs/dbraw/zinc/41/89/85/832418985.db2.gz	VCARPNONKPMVNJ-MSOLQXFVSA-N	1	0	373.453	1.955	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)C[C@H]1C(F)(F)F	ZINC001112218809	832441307	/nfs/dbraw/zinc/44/13/07/832441307.db2.gz	VTLKNMOJKMRAMR-UPJWGTAASA-N	1	0	362.396	1.475	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C[C@@H](O)Cc1ccc(F)cc1	ZINC001088529370	832454062	/nfs/dbraw/zinc/45/40/62/832454062.db2.gz	SIULPQNESMOSMC-BVGQSLNGSA-N	1	0	370.428	1.822	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21	ZINC001075885300	832519118	/nfs/dbraw/zinc/51/91/18/832519118.db2.gz	PVRLBKSHAYLWNL-QXAKKESOSA-N	1	0	370.497	1.830	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C)[nH]c1C)C2	ZINC001112537243	833484749	/nfs/dbraw/zinc/48/47/49/833484749.db2.gz	XGJBSDZFAJBZKY-JXFKEZNVSA-N	1	0	358.486	1.766	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)[C@H](C1CC1)[NH+]1CCCC1	ZINC000987646924	833512706	/nfs/dbraw/zinc/51/27/06/833512706.db2.gz	KYYHKVCVDPTNMM-BVGQSLNGSA-N	1	0	369.469	1.480	20	30		FDEDRO
C=CCOCCCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000666519886	833897851	/nfs/dbraw/zinc/89/78/51/833897851.db2.gz	XKFJAESSBWSEFW-RTBURBONSA-N	1	0	361.486	1.761	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@H](CN(C)C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000988033315	833905534	/nfs/dbraw/zinc/90/55/34/833905534.db2.gz	WAKDCYSMPGLBED-IJEWVQPXSA-N	1	0	357.458	1.147	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1	ZINC000988099922	834048608	/nfs/dbraw/zinc/04/86/08/834048608.db2.gz	PGSSLDLBJMPNTK-JQHSSLGASA-N	1	0	363.502	1.226	20	30		FDEDRO
COC(=O)[C@H]1CN(C(=O)Nc2ccc(F)cc2OCC#N)CC[N@H+](C)C1	ZINC000841671775	834689288	/nfs/dbraw/zinc/68/92/88/834689288.db2.gz	XQONDKDXNUOXRV-GFCCVEGCSA-N	1	0	364.377	1.297	20	30		FDEDRO
C[C@@H]1C[N@@H+](CC2CCN(CC(=O)N[C@@](C)(C#N)C3CC3)CC2)C[C@H](C)O1	ZINC000332722265	834765286	/nfs/dbraw/zinc/76/52/86/834765286.db2.gz	HBZBFGSVEJROEK-YRNRMSPPSA-N	1	0	362.518	1.616	20	30		FDEDRO
C[NH+](C)Cc1ccc(N2CCN(C(=O)NCC(C)(C)CC#N)CC2)nc1	ZINC000459262121	834900382	/nfs/dbraw/zinc/90/03/82/834900382.db2.gz	UCZIWHWLNULTEN-UHFFFAOYSA-N	1	0	358.490	1.915	20	30		FDEDRO
CCN(CC)C(=O)C1([NH2+]CC(=O)N(CCC#N)CCC#N)CCCCC1	ZINC000532709819	835230436	/nfs/dbraw/zinc/23/04/36/835230436.db2.gz	PDJZYFIJSGNWRV-UHFFFAOYSA-N	1	0	361.490	1.803	20	30		FDEDRO
Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C2)nc1	ZINC000245440522	835345347	/nfs/dbraw/zinc/34/53/47/835345347.db2.gz	UPBCEOUBAHXMMP-CVEARBPZSA-N	1	0	357.458	1.801	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)n(CCC#N)n1	ZINC000532999924	835615991	/nfs/dbraw/zinc/61/59/91/835615991.db2.gz	LQDNILIHNHCPQD-MRXNPFEDSA-N	1	0	372.473	1.234	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)C[C@@H](C)C3CC3)[C@@H]2C)CC1	ZINC000988507539	835662457	/nfs/dbraw/zinc/66/24/57/835662457.db2.gz	VJPUDYVPLWFLMI-MDZRGWNJSA-N	1	0	359.514	1.873	20	30		FDEDRO
C[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C[C@H](C)[N@H+]1C	ZINC000455096655	835909250	/nfs/dbraw/zinc/90/92/50/835909250.db2.gz	HMFOXCOMWFLBBT-BETUJISGSA-N	1	0	356.405	2.439	20	30		FDEDRO
N#CCCCOc1cccnc1NC(=O)NC[C@@H]1CCCC[N@H+]1CCO	ZINC000455166872	835925471	/nfs/dbraw/zinc/92/54/71/835925471.db2.gz	MJKRSHSRWIVJCO-HNNXBMFYSA-N	1	0	361.446	1.732	20	30		FDEDRO
C[C@H](Cc1cnn(C)c1)NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000455488349	836089285	/nfs/dbraw/zinc/08/92/85/836089285.db2.gz	UQXAWEPZPAAXFU-MRXNPFEDSA-N	1	0	366.469	1.750	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(F)cc2)C[C@H]1OC	ZINC001212022545	836300590	/nfs/dbraw/zinc/30/05/90/836300590.db2.gz	WPLCVALQXPRWEN-KBAYOESNSA-N	1	0	366.433	1.347	20	30		FDEDRO
CO[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1NC(=O)[C@@H](C)C#N	ZINC001212045715	836376743	/nfs/dbraw/zinc/37/67/43/836376743.db2.gz	VNZHTYYZEFBBPS-BMGDILEWSA-N	1	0	353.426	1.347	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1C[C@@H](NC(=O)/C=C/C(C)(C)C)[C@H](OC)C1	ZINC001212047265	836398895	/nfs/dbraw/zinc/39/88/95/836398895.db2.gz	FYZWEZCCCPGAJD-VEUZHWNKSA-N	1	0	365.518	1.829	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@@H](c2nnc3n2CCCCC3)C1	ZINC000249724738	836512695	/nfs/dbraw/zinc/51/26/95/836512695.db2.gz	OYLCLPUWIGTIFY-JKSUJKDBSA-N	1	0	358.490	1.944	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2coc(C3CC3)n2)[C@@H]1C	ZINC000988733433	836906530	/nfs/dbraw/zinc/90/65/30/836906530.db2.gz	CQHMYEFNBHHXNW-KMFMINBZSA-N	1	0	370.453	1.369	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)/C=C/c2ccc[nH]2)[C@@H]1C	ZINC000988738368	836943227	/nfs/dbraw/zinc/94/32/27/836943227.db2.gz	NKYLPMRCUJRSBW-LAKBCIQWSA-N	1	0	354.454	1.231	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCN(C)C(C)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105669703	844281040	/nfs/dbraw/zinc/28/10/40/844281040.db2.gz	UTVSLGKAVCEVPW-LFGUQSLTSA-N	1	0	365.518	1.397	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@]3(C)C[C@H]4C[C@H]4C3)[C@H]2C)CC1	ZINC000989011184	838111744	/nfs/dbraw/zinc/11/17/44/838111744.db2.gz	HTRCJNNLUHKTGK-JHRANDQASA-N	1	0	371.525	1.873	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](C[C@H]2CCNC(=O)CC2)[C@@H]1C	ZINC001088623527	838515933	/nfs/dbraw/zinc/51/59/33/838515933.db2.gz	FDSMUFLNNYOBCK-ZACQAIPSSA-N	1	0	358.486	1.783	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C)nc1	ZINC000989161073	838532398	/nfs/dbraw/zinc/53/23/98/838532398.db2.gz	FILGIWIHBVYEFJ-NJAFHUGGSA-N	1	0	368.481	1.657	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@@H]1C	ZINC000989188282	838625516	/nfs/dbraw/zinc/62/55/16/838625516.db2.gz	HBKJQTKDRIXLJO-AYOQOUSVSA-N	1	0	353.466	1.410	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1	ZINC000938185054	844356359	/nfs/dbraw/zinc/35/63/59/844356359.db2.gz	MQCJVDGSQKDFEB-BBWFWOEESA-N	1	0	361.486	1.171	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C)cc1	ZINC000989210502	838744077	/nfs/dbraw/zinc/74/40/77/838744077.db2.gz	MDBLFLHIBLKQKO-MDZRGWNJSA-N	1	0	353.466	1.871	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C[C@H]2CCN(C)C2=O)CCN1Cc1ccc(C#N)s1	ZINC001088644800	838837081	/nfs/dbraw/zinc/83/70/81/838837081.db2.gz	RYUBXUBPKBYOQP-IOASZLSFSA-N	1	0	360.483	1.567	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000460023817	839260777	/nfs/dbraw/zinc/26/07/77/839260777.db2.gz	UBYOEHQIZPMWBL-SFHVURJKSA-N	1	0	369.465	1.683	20	30		FDEDRO
Cc1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)c(=O)[nH]c1C	ZINC001088654514	839409980	/nfs/dbraw/zinc/40/99/80/839409980.db2.gz	OWZPQRVSGOHCBQ-PBHICJAKSA-N	1	0	365.437	1.651	20	30		FDEDRO
C#Cc1ccc(CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1	ZINC000841908365	839934570	/nfs/dbraw/zinc/93/45/70/839934570.db2.gz	NKCNTYGTNQOIAW-HNNXBMFYSA-N	1	0	354.376	1.303	20	30		FDEDRO
C=CCN1c2ccccc2C(=NNC(=S)NCC2CC[NH+](C)CC2)C1=O	ZINC000760466141	839984438	/nfs/dbraw/zinc/98/44/38/839984438.db2.gz	NJKWCACEBHEHHE-UHFFFAOYSA-N	1	0	371.510	1.729	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccco3)[C@H]2C(C)C)C[C@H]1O	ZINC001105588107	840050279	/nfs/dbraw/zinc/05/02/79/840050279.db2.gz	QWPJSWGTBFTZJU-ZTRFORPCSA-N	1	0	360.454	1.509	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3=COCCO3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105590197	840123302	/nfs/dbraw/zinc/12/33/02/840123302.db2.gz	ISMVYRPAYACXED-QQTQMKHKSA-N	1	0	364.486	1.807	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)C3C[NH+](C4CCOCC4)C3)C2)nc1	ZINC000897824038	840451670	/nfs/dbraw/zinc/45/16/70/840451670.db2.gz	SQPOELMMCMLXCA-QGZVFWFLSA-N	1	0	356.426	1.044	20	30		FDEDRO
N#Cc1cccc([C@@H]2CN(C(=O)N[C@@H]3C[NH2+]CCC3(F)F)CCO2)c1	ZINC000842007574	840640169	/nfs/dbraw/zinc/64/01/69/840640169.db2.gz	YWVONYYJLHEOIX-LSDHHAIUSA-N	1	0	350.369	1.638	20	30		FDEDRO
C#CCOc1ccc(Br)cc1C[NH2+]CCCc1nnnn1C	ZINC000898042180	840721508	/nfs/dbraw/zinc/72/15/08/840721508.db2.gz	KFLDCAOOEQWOHT-UHFFFAOYSA-N	1	0	364.247	1.707	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCn3cncn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105597823	840766001	/nfs/dbraw/zinc/76/60/01/840766001.db2.gz	IGGPGGCRPYWSDJ-PSBWJHGTSA-N	1	0	361.490	1.210	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C)nc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105598241	840767172	/nfs/dbraw/zinc/76/71/72/840767172.db2.gz	MWYAXDSQSDORJC-BNDYYXHWSA-N	1	0	355.482	1.993	20	30		FDEDRO
CCCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC#CCOC)C2)[C@H]1C(C)C	ZINC001105598695	840778693	/nfs/dbraw/zinc/77/86/93/840778693.db2.gz	VYCUWFKDCLTCBY-LFGUQSLTSA-N	1	0	350.503	1.793	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+]CCCn3ccc(=O)[nH]c3=O)CC2)cc1	ZINC000898328432	840949554	/nfs/dbraw/zinc/94/95/54/840949554.db2.gz	BTHYOTHKADZFGC-UHFFFAOYSA-N	1	0	353.426	1.469	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)nn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105600528	840996190	/nfs/dbraw/zinc/99/61/90/840996190.db2.gz	IXCMYMMZHXGYDS-PHXBYCTMSA-N	1	0	358.486	1.332	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc[nH]n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105604312	841184054	/nfs/dbraw/zinc/18/40/54/841184054.db2.gz	SQSDAQSHEKASJE-YWTNHNAXSA-N	1	0	362.474	1.192	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCOCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105604706	841184636	/nfs/dbraw/zinc/18/46/36/841184636.db2.gz	WUDUZPQGRNCWBU-HNBVOPMISA-N	1	0	350.503	1.793	20	30		FDEDRO
C=CCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCOCCOC)C2)[C@@H]1C(C)C	ZINC001105607789	841236384	/nfs/dbraw/zinc/23/63/84/841236384.db2.gz	YFCGTTPEZSTLIM-JYBIWHBTSA-N	1	0	368.518	1.582	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C)c1	ZINC000989801676	841472124	/nfs/dbraw/zinc/47/21/24/841472124.db2.gz	ULVOIWVGMMZEMX-DAYGRLMNSA-N	1	0	354.454	1.266	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cc(C)on3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105610149	841577948	/nfs/dbraw/zinc/57/79/48/841577948.db2.gz	IIITYQCDWIJTIN-LFGUQSLTSA-N	1	0	359.470	1.515	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C)nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105611594	841892136	/nfs/dbraw/zinc/89/21/36/841892136.db2.gz	UHONLQUDDHMZKB-MLYOOKFZSA-N	1	0	358.486	1.332	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCO[C@H]3C=C)[C@H]2C)CC1	ZINC000990124724	841894372	/nfs/dbraw/zinc/89/43/72/841894372.db2.gz	RFBXDKXPHHPWBZ-YSHGAJCASA-N	1	0	373.497	1.028	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CNC(=O)CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105613805	842225149	/nfs/dbraw/zinc/22/51/49/842225149.db2.gz	CABTVMXXSONSMX-XNFNUYLZSA-N	1	0	365.518	1.445	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc[nH]c(=O)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105619162	842235851	/nfs/dbraw/zinc/23/58/51/842235851.db2.gz	HAAANUFOILTPDR-HBXLWWENSA-N	1	0	357.454	1.390	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnn3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619501	842237601	/nfs/dbraw/zinc/23/76/01/842237601.db2.gz	MCQBMFHTKDOEQU-DLVXIWMQSA-N	1	0	358.486	1.506	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3ncc[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105622425	842246446	/nfs/dbraw/zinc/24/64/46/842246446.db2.gz	AMRRMLMJDYXCRN-YKCBXCCJSA-N	1	0	360.502	1.885	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3ncc[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105622424	842246937	/nfs/dbraw/zinc/24/69/37/842246937.db2.gz	AMRRMLMJDYXCRN-YAJHFMINSA-N	1	0	360.502	1.885	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)COC(C)(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105622504	842247364	/nfs/dbraw/zinc/24/73/64/842247364.db2.gz	BSFKXMWBZNESGK-QQTQMKHKSA-N	1	0	350.503	1.791	20	30		FDEDRO
C#CCCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCOCC=C)C2)[C@@H]1C(C)C	ZINC001105623166	842250961	/nfs/dbraw/zinc/25/09/61/842250961.db2.gz	NSGFYHHOZWGJQZ-QCFAMHMHSA-N	1	0	362.514	1.959	20	30		FDEDRO
C=CCc1cc(C[N@H+]2CC[C@@H](n3cc(C(=O)OC)nn3)C2)c(O)c(OC)c1	ZINC000760543274	842256888	/nfs/dbraw/zinc/25/68/88/842256888.db2.gz	ZPGMMNSZDYAWFQ-OAHLLOKOSA-N	1	0	372.425	1.954	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccncc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105626850	842258487	/nfs/dbraw/zinc/25/84/87/842258487.db2.gz	IPTRBYODFJODPZ-BNDYYXHWSA-N	1	0	355.482	1.993	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3c[nH]cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105636708	842267872	/nfs/dbraw/zinc/26/78/72/842267872.db2.gz	BUPOVMZRFPFTOU-JYBIWHBTSA-N	1	0	360.502	1.885	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3[nH]c(=O)[nH]c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105637817	842274235	/nfs/dbraw/zinc/27/42/35/842274235.db2.gz	VZWJPFOYBXLWBY-ZLHSVIROSA-N	1	0	362.474	1.580	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccncc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105632133	842279066	/nfs/dbraw/zinc/27/90/66/842279066.db2.gz	IJFCPWPADVGMTC-CZAYHTPWSA-N	1	0	369.509	1.922	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCOCC(F)F)[C@H]2C(C)C)C[C@H]1O	ZINC001105632359	842280021	/nfs/dbraw/zinc/28/00/21/842280021.db2.gz	KQNRYZULTMREBT-KJWYOANISA-N	1	0	360.445	1.810	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCF)C2)[C@H]1C(C)C	ZINC001105633554	842282282	/nfs/dbraw/zinc/28/22/82/842282282.db2.gz	VDRYWIRIJQKYTL-PSBWJHGTSA-N	1	0	354.466	1.352	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc[nH]c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105634053	842282994	/nfs/dbraw/zinc/28/29/94/842282994.db2.gz	ZCPYVJTYVXDLLQ-FTEYMNFISA-N	1	0	359.470	1.244	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3ccncn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105633944	842283260	/nfs/dbraw/zinc/28/32/60/842283260.db2.gz	YAPLAEVOOJJEOB-VURPSTOHSA-N	1	0	370.497	1.399	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(C)C(=O)C3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105634017	842283315	/nfs/dbraw/zinc/28/33/15/842283315.db2.gz	YTPGEKHEOCMFTH-QQTQMKHKSA-N	1	0	363.502	1.007	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCOCCO)C2)[C@@H]1C(C)C	ZINC001105633791	842283411	/nfs/dbraw/zinc/28/34/11/842283411.db2.gz	WZPFDEZFVCLYRN-JYBIWHBTSA-N	1	0	368.518	1.318	20	30		FDEDRO
CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1	ZINC000477026148	842321658	/nfs/dbraw/zinc/32/16/58/842321658.db2.gz	GFUZFIKDEZXRIE-GDBMZVCRSA-N	1	0	355.394	1.465	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(COC)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105643036	842326835	/nfs/dbraw/zinc/32/68/35/842326835.db2.gz	QMPHKYAAQGJYGW-VIPLHTEESA-N	1	0	350.503	1.955	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3n[nH]nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105648466	842421042	/nfs/dbraw/zinc/42/10/42/842421042.db2.gz	YJQYENWBEGFBNJ-IIHSZXCVSA-N	1	0	361.490	1.659	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(N)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105651676	842444762	/nfs/dbraw/zinc/44/47/62/842444762.db2.gz	IDZNEMIHEYLUCW-NNFUDEMPSA-N	1	0	351.491	1.184	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(C(N)=O)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105653493	842455387	/nfs/dbraw/zinc/45/53/87/842455387.db2.gz	VXRQHSUTDBAXNR-YKTARERQSA-N	1	0	363.502	1.184	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4[nH]c(C)cc4C)[C@@H]3C2)C1=O	ZINC001075952509	842459557	/nfs/dbraw/zinc/45/95/57/842459557.db2.gz	GENPIRNOWUFQDU-YESZJQIVSA-N	1	0	356.470	1.565	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@H]1C(C)C	ZINC001105653325	842460551	/nfs/dbraw/zinc/46/05/51/842460551.db2.gz	TXYIHAIHPJISIV-LFGUQSLTSA-N	1	0	350.503	1.529	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@@H]1C(C)C	ZINC001105653323	842460765	/nfs/dbraw/zinc/46/07/65/842460765.db2.gz	TXYIHAIHPJISIV-IZBJGVDFSA-N	1	0	350.503	1.529	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C4CC4)n[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105655307	842483528	/nfs/dbraw/zinc/48/35/28/842483528.db2.gz	HIUVTWIRILHESH-XCJLJZCSSA-N	1	0	370.497	1.890	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CCCO)C3)[C@H]2C(C)C)c1	ZINC001105656712	842488506	/nfs/dbraw/zinc/48/85/06/842488506.db2.gz	TUOHGPYPFWPALT-XCJLJZCSSA-N	1	0	371.481	1.025	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C)[nH]c3=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105656874	842490294	/nfs/dbraw/zinc/49/02/94/842490294.db2.gz	USNOGEFSNXKYQI-IKVWTGGYSA-N	1	0	371.481	1.699	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3ccc(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105656324	842492169	/nfs/dbraw/zinc/49/21/69/842492169.db2.gz	OXWUFWULHWXYMA-LFGUQSLTSA-N	1	0	358.486	1.181	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105659130	842501337	/nfs/dbraw/zinc/50/13/37/842501337.db2.gz	MTZGCMUQKGDGAV-ANTGDGSKSA-N	1	0	355.482	1.993	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccn(C)c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105659528	842510316	/nfs/dbraw/zinc/51/03/16/842510316.db2.gz	OSVGTOMHFGKPHF-XCJLJZCSSA-N	1	0	357.498	1.937	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@@H]1O	ZINC001083470723	842635261	/nfs/dbraw/zinc/63/52/61/842635261.db2.gz	JMSMRPDLTNIODU-ZRNYENFQSA-N	1	0	358.482	1.762	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H](CC)C(N)=O)C[C@H]32)cc1	ZINC001075958667	842802307	/nfs/dbraw/zinc/80/23/07/842802307.db2.gz	CYLGWJUGKLJURZ-CGTJXYLNSA-N	1	0	357.454	1.662	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)Cc2ccc(=O)[nH]c2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088753933	843036448	/nfs/dbraw/zinc/03/64/48/843036448.db2.gz	WVROIYXVMMTVIZ-KDOFPFPSSA-N	1	0	350.422	1.981	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCC[N@@H+](C(C)C)CC1	ZINC000462023250	843289459	/nfs/dbraw/zinc/28/94/59/843289459.db2.gz	OZGVYADDABMGCF-UHFFFAOYSA-N	1	0	367.457	2.395	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H](C)c2cccc(C#N)c2)CC1	ZINC000462028730	843298394	/nfs/dbraw/zinc/29/83/94/843298394.db2.gz	FOOVEEJAHMWTRU-INIZCTEOSA-N	1	0	356.470	1.674	20	30		FDEDRO
CC[NH+](CC)[C@H](C)CNC(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C	ZINC000462090745	843314902	/nfs/dbraw/zinc/31/49/02/843314902.db2.gz	GRXJJXAJQOVPSP-CQSZACIVSA-N	1	0	355.446	2.299	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCCCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667182	843518608	/nfs/dbraw/zinc/51/86/08/843518608.db2.gz	PAHRYIHVEDEVGG-RWQQGDIJSA-N	1	0	354.491	1.192	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(=O)[nH]c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667533	843637522	/nfs/dbraw/zinc/63/75/22/843637522.db2.gz	CBIHOBQRWNTOGD-QQTQMKHKSA-N	1	0	357.454	1.390	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC(=O)CC2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088772558	843691945	/nfs/dbraw/zinc/69/19/45/843691945.db2.gz	DFUHGILESNKFSR-JLSDUUJJSA-N	1	0	354.454	1.554	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCCC(N)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105668061	843750834	/nfs/dbraw/zinc/75/08/34/843750834.db2.gz	WAWVJSMBWXDRCC-SMOSDQRPSA-N	1	0	363.502	1.022	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(=O)[nH]c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105668297	843785870	/nfs/dbraw/zinc/78/58/70/843785870.db2.gz	IZUZDESAEBKUGT-HBXLWWENSA-N	1	0	357.454	1.390	20	30		FDEDRO
COc1nn(C)cc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000898569766	844876361	/nfs/dbraw/zinc/87/63/61/844876361.db2.gz	WMXRGDYVJUHPKN-UHFFFAOYSA-N	1	0	370.457	1.574	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1	ZINC000991429575	861512876	/nfs/dbraw/zinc/51/28/76/861512876.db2.gz	OSUUFTKNGAMIOL-BZSNNMDCSA-N	1	0	363.502	1.558	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NC[C@]3([NH+](C)C)CCSC3)cc2C1=O	ZINC000480275279	844978440	/nfs/dbraw/zinc/97/84/40/844978440.db2.gz	PLKPXIISEUTBPU-LJQANCHMSA-N	1	0	373.478	1.636	20	30		FDEDRO
Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1C#N	ZINC000480310705	845036757	/nfs/dbraw/zinc/03/67/57/845036757.db2.gz	NXWDGEARMWCKDF-AZUAARDMSA-N	1	0	363.465	1.585	20	30		FDEDRO
N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N3CCC[NH2+]CC3)c2)s1	ZINC000842162557	845130549	/nfs/dbraw/zinc/13/05/49/845130549.db2.gz	XWFBBDSQYRYDQB-UHFFFAOYSA-N	1	0	368.462	1.725	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NCc2ccc(CC[NH3+])cc2)cc1C#N	ZINC000842180795	845387789	/nfs/dbraw/zinc/38/77/89/845387789.db2.gz	QURGYILGESHNQC-UHFFFAOYSA-N	1	0	366.421	1.001	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCC(N)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105674187	845459878	/nfs/dbraw/zinc/45/98/78/845459878.db2.gz	TZQFMDZWKSANHA-YAJHFMINSA-N	1	0	365.518	1.574	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]12CCC[C@H]1[N@H+](CCn1cncn1)CC2	ZINC000990743989	845506367	/nfs/dbraw/zinc/50/63/67/845506367.db2.gz	SMMUXJZQGIUUOA-SFNKJDCFSA-N	1	0	359.474	1.373	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CCOC(=O)CNS(=O)(=O)c1ccccc1C#N	ZINC000913173583	861587195	/nfs/dbraw/zinc/58/71/95/861587195.db2.gz	IYCJJFSSSCMOAX-OAHLLOKOSA-N	1	0	365.455	1.254	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCn3cccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105675160	845651992	/nfs/dbraw/zinc/65/19/92/845651992.db2.gz	MIVCWZZISOCCDG-JYBIWHBTSA-N	1	0	360.502	1.815	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1	ZINC000667737633	845695615	/nfs/dbraw/zinc/69/56/15/845695615.db2.gz	RKGOLVIJUWJWFB-LMMKCTJWSA-N	1	0	364.534	1.474	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O	ZINC001083524366	846262306	/nfs/dbraw/zinc/26/23/06/846262306.db2.gz	REVPWTINEANVJL-NJYVYQBISA-N	1	0	369.509	1.462	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)Nc2ccccc2C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000481331904	846398820	/nfs/dbraw/zinc/39/88/20/846398820.db2.gz	LDNGJJZZKDSVGF-HNNXBMFYSA-N	1	0	351.410	1.836	20	30		FDEDRO
C[N@H+](CCO)CCNC(=O)c1ccc(OCc2ccccc2C#N)cc1	ZINC000899732052	846627504	/nfs/dbraw/zinc/62/75/04/846627504.db2.gz	TYAULTVJDKMQBW-UHFFFAOYSA-N	1	0	353.422	1.791	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C[C@H]4CCCC(=O)N4)[C@@H]3C2)cc1	ZINC001076019706	847035127	/nfs/dbraw/zinc/03/51/27/847035127.db2.gz	YPLFNFWGJBREAA-IPMKNSEASA-N	1	0	366.465	1.650	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCCN(C)C4=O)C[C@H]32)cc1	ZINC001076119469	847314843	/nfs/dbraw/zinc/31/48/43/847314843.db2.gz	LWLZSHMSBSNNKB-IPMKNSEASA-N	1	0	351.450	1.435	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4[C@@H]5COC[C@@H]54)[C@@H]3C2)cc1C#N	ZINC001076139737	847378518	/nfs/dbraw/zinc/37/85/18/847378518.db2.gz	RAOAXRNBTXYDPG-AUCSYDQHSA-N	1	0	367.449	1.492	20	30		FDEDRO
CN1CC[C@@H](C(=O)N2CC[C@H]3CN(Cc4ccc(F)c(C#N)c4)C[C@H]32)C1=O	ZINC001076151458	847397171	/nfs/dbraw/zinc/39/71/71/847397171.db2.gz	UMJVEAPTOBDESG-YXJHDRRASA-N	1	0	370.428	1.208	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc[nH]c4CCC)[C@@H]3C2)C1=O	ZINC001076159183	847420835	/nfs/dbraw/zinc/42/08/35/847420835.db2.gz	WRQVXNXCXMMAJT-KFKAGJAMSA-N	1	0	370.497	1.900	20	30		FDEDRO
C=C1CCC(C(=O)N2CC[C@H]3C[N@@H+](C[C@H](O)Cn4cccn4)C[C@H]32)CC1	ZINC001076209658	847568260	/nfs/dbraw/zinc/56/82/60/847568260.db2.gz	BTDKPVOKLNFLQG-GBESFXJTSA-N	1	0	358.486	1.523	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ocnc4C4CC4)[C@@H]3C2)C1=O	ZINC001076239000	847622539	/nfs/dbraw/zinc/62/25/39/847622539.db2.gz	KSCRGWIKQCUKFE-ARFHVFGLSA-N	1	0	370.453	1.485	20	30		FDEDRO
CC[C@@H](C(=O)N1CC[C@H]2CN(Cc3ccc(OC)c(C#N)c3)C[C@H]21)[NH+](C)C	ZINC001076253824	847681129	/nfs/dbraw/zinc/68/11/29/847681129.db2.gz	TVTUUEMXMBMATA-YTQUADARSA-N	1	0	370.497	1.940	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cn(CC)nc4C)[C@@H]3C2)C1=O	ZINC001076304194	847788585	/nfs/dbraw/zinc/78/85/85/847788585.db2.gz	BDIGHZJVPPCDTG-CGTJXYLNSA-N	1	0	371.485	1.145	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C)[nH]c4C)[C@@H]3C2)C1=O	ZINC001076297535	847802715	/nfs/dbraw/zinc/80/27/15/847802715.db2.gz	ZCOFHZCPDALBLE-RYQLBKOJSA-N	1	0	356.470	1.565	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cnccc4C)C[C@H]32)nn1	ZINC001076334763	847877477	/nfs/dbraw/zinc/87/74/77/847877477.db2.gz	IECCJBPTXVGSPO-MAUKXSAKSA-N	1	0	352.442	1.514	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(Cc4ccc(OC)nn4)C[C@H]32)cn1	ZINC001076477010	848241875	/nfs/dbraw/zinc/24/18/75/848241875.db2.gz	LVGMCUQQOZTUQR-MAUKXSAKSA-N	1	0	363.421	1.208	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(Cl)no4)[C@@H]3C2)C1=O	ZINC001076487186	848263559	/nfs/dbraw/zinc/26/35/59/848263559.db2.gz	XKOQFHKCFMOGMN-RWMBFGLXSA-N	1	0	364.833	1.261	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)(F)F	ZINC000913336068	861893184	/nfs/dbraw/zinc/89/31/84/861893184.db2.gz	DDVMYPBRRTUTKA-YJNKXOJESA-N	1	0	373.419	1.752	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(Cc4ccc(F)cn4)C[C@H]32)CC1	ZINC001076604503	848553656	/nfs/dbraw/zinc/55/36/56/848553656.db2.gz	JKGFYDAWSWCWQW-FXAWDEMLSA-N	1	0	370.472	1.599	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)C1([NH+](C)C)CCC1	ZINC001076726800	848858827	/nfs/dbraw/zinc/85/88/27/848858827.db2.gz	XXHYLVSBPAPGTB-JYJNAYRXSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1	ZINC001076739279	848909742	/nfs/dbraw/zinc/90/97/42/848909742.db2.gz	QBFMMOGTDDRNRT-KSZLIROESA-N	1	0	365.518	1.711	20	30		FDEDRO
Cc1cc(C(=O)N[C@@H]2CN(Cc3cccc(C#N)c3)C[C@H]2O)cc(C)n1	ZINC001077061844	849665687	/nfs/dbraw/zinc/66/56/87/849665687.db2.gz	MHHNQCLRWYQSNS-RTBURBONSA-N	1	0	350.422	1.545	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O	ZINC001077090945	849723614	/nfs/dbraw/zinc/72/36/14/849723614.db2.gz	GEKLFZQAWBWCQR-GUDVDZBRSA-N	1	0	356.470	1.094	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCc2cccc(C)c2)C[C@H]1O	ZINC001077159212	849955599	/nfs/dbraw/zinc/95/55/99/849955599.db2.gz	UDFFJJMNCBOVNA-QHAWAJNXSA-N	1	0	369.509	1.187	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1O	ZINC001077246834	850237700	/nfs/dbraw/zinc/23/77/00/850237700.db2.gz	JCEYFKJNQCJWOG-KBAYOESNSA-N	1	0	360.454	1.453	20	30		FDEDRO
O=C([C@H]1CC[N@@H+]1C1CCCC1)N(O)CCCN1C(=O)c2ccccc2C1=O	ZINC000904186055	851005174	/nfs/dbraw/zinc/00/51/74/851005174.db2.gz	OTRZEQVHVYEUAX-QGZVFWFLSA-N	1	0	371.437	1.907	20	30		FDEDRO
C[C@@]1(C#N)CN(C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)CCO1	ZINC000904518981	851271781	/nfs/dbraw/zinc/27/17/81/851271781.db2.gz	IQIBNJNBCYILBH-LJQANCHMSA-N	1	0	373.457	1.117	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCCN2c2cnc(C#N)cn2)CC[N@@H+]1C	ZINC001060185176	851557698	/nfs/dbraw/zinc/55/76/98/851557698.db2.gz	UFNXGLZYHSHZSO-YESZJQIVSA-N	1	0	356.474	1.554	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1	ZINC000904966196	851560676	/nfs/dbraw/zinc/56/06/76/851560676.db2.gz	HMSUPOQVCWBAKG-NWDGAFQWSA-N	1	0	374.388	1.316	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1	ZINC000904986369	851586595	/nfs/dbraw/zinc/58/65/95/851586595.db2.gz	JIHQQAXFSHNEMG-MRXNPFEDSA-N	1	0	374.510	1.816	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1	ZINC000905290371	851822400	/nfs/dbraw/zinc/82/24/00/851822400.db2.gz	LQFAVRGZHBJCQF-SOUVJXGZSA-N	1	0	360.520	1.169	20	30		FDEDRO
COc1cccc(-n2c(C)nnc2SCC(=O)NCC#CC[NH+](C)C)c1	ZINC000913515365	862295779	/nfs/dbraw/zinc/29/57/79/862295779.db2.gz	UOIOTABWSPXHQR-UHFFFAOYSA-N	1	0	373.482	1.358	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Cc1csc(NC(=O)c2ccccc2F)n1	ZINC000913517186	862300676	/nfs/dbraw/zinc/30/06/76/862300676.db2.gz	WNQUAKGSGCQMNX-UHFFFAOYSA-N	1	0	374.441	1.758	20	30		FDEDRO
Brc1nc2n(c1C=NNCC[NH+]1CCCCC1)CCOC2	ZINC000905435409	851939424	/nfs/dbraw/zinc/93/94/24/851939424.db2.gz	AXLXBOLSYYUMCW-UHFFFAOYSA-N	1	0	356.268	1.585	20	30		FDEDRO
COC(=O)c1cc(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)n(C)c1C	ZINC000905437796	851941281	/nfs/dbraw/zinc/94/12/81/851941281.db2.gz	IECXBPWSRRJHCW-MRXNPFEDSA-N	1	0	357.410	1.521	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc12	ZINC000913517935	862301203	/nfs/dbraw/zinc/30/12/03/862301203.db2.gz	WQFHMGHMGCVWCJ-QGZVFWFLSA-N	1	0	370.478	1.364	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)cc1	ZINC000905474595	851948124	/nfs/dbraw/zinc/94/81/24/851948124.db2.gz	PLQWWIRPXKRKGM-OALUTQOASA-N	1	0	358.413	1.825	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H](O)Cc2ccc(F)cc2)cc1	ZINC000905476331	851949866	/nfs/dbraw/zinc/94/98/66/851949866.db2.gz	YBBZRTQHIFLXLP-KRWDZBQOSA-N	1	0	362.426	1.664	20	30		FDEDRO
C#CCN1CCC[C@@H]([NH2+]C[C@H](O)COc2ccc(CCC(C)=O)cc2)C1	ZINC000905461722	851962992	/nfs/dbraw/zinc/96/29/92/851962992.db2.gz	RQLOJUCWISJOHT-UXHICEINSA-N	1	0	358.482	1.635	20	30		FDEDRO
CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NCC#CC[NH+](C)C	ZINC000913519677	862304582	/nfs/dbraw/zinc/30/45/82/862304582.db2.gz	KEHKSMLOFYIUCZ-SFHVURJKSA-N	1	0	358.417	1.035	20	30		FDEDRO
Cc1cc(C)cc(C(=O)N2CCCC[C@@H]2C(=O)NCC#CC[NH+](C)C)c1	ZINC000913520603	862306134	/nfs/dbraw/zinc/30/61/34/862306134.db2.gz	UTPDYIKBZNCHOG-LJQANCHMSA-N	1	0	355.482	1.979	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]CC2(C3(O)CCOCC3)CC2)cc1	ZINC000905555021	852029649	/nfs/dbraw/zinc/02/96/49/852029649.db2.gz	YFIMKMRGOAFLQP-QGZVFWFLSA-N	1	0	360.454	1.404	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCCN(CC)C2=O)c(OC)c1	ZINC000905549428	852050399	/nfs/dbraw/zinc/05/03/99/852050399.db2.gz	FSJMRKDMZWJPMY-SJORKVTESA-N	1	0	362.470	1.764	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCC3(CCOCC3)O2)cc1	ZINC000905596008	852087059	/nfs/dbraw/zinc/08/70/59/852087059.db2.gz	PHSBLDBVUBBYFK-MRXNPFEDSA-N	1	0	364.467	1.650	20	30		FDEDRO
COC(=O)C[C@@H]1CC[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000905710207	852200141	/nfs/dbraw/zinc/20/01/41/852200141.db2.gz	UWIHPYMGIXWESK-CABCVRRESA-N	1	0	350.440	1.653	20	30		FDEDRO
CN1CC[N@H+](C)CC(C(=O)N2CCCN(c3ccccc3C#N)CC2)C1	ZINC000906170865	852655782	/nfs/dbraw/zinc/65/57/82/852655782.db2.gz	NDCHKHHILWLPBL-UHFFFAOYSA-N	1	0	355.486	1.090	20	30		FDEDRO
CC[C@H](C)OCC(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1OC	ZINC001212131093	852664178	/nfs/dbraw/zinc/66/41/78/852664178.db2.gz	HOVOQXMDVOZSJB-APHBMKBZSA-N	1	0	351.472	1.750	20	30		FDEDRO
N#CCOc1cccc(CC(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)c1	ZINC000760640259	862398882	/nfs/dbraw/zinc/39/88/82/862398882.db2.gz	ZMODFUIGALZDBA-UHFFFAOYSA-N	1	0	371.437	1.418	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnn(C2CC2)c1N	ZINC000906440808	852872746	/nfs/dbraw/zinc/87/27/46/852872746.db2.gz	KCBPNCSQMQHZPL-UHFFFAOYSA-N	1	0	352.442	1.876	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)Cc2c(C)cc(C#N)cc2C)CC1	ZINC000906569014	853028743	/nfs/dbraw/zinc/02/87/43/853028743.db2.gz	JQNAKZZKICQTOC-UHFFFAOYSA-N	1	0	370.497	1.730	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000668564885	853121488	/nfs/dbraw/zinc/12/14/88/853121488.db2.gz	BPMZXTUAPRWJDF-SFHVURJKSA-N	1	0	359.470	1.476	20	30		FDEDRO
CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000906709739	853198155	/nfs/dbraw/zinc/19/81/55/853198155.db2.gz	VVXPYWMORIDHKO-GFCCVEGCSA-N	1	0	354.332	1.630	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000906713230	853202427	/nfs/dbraw/zinc/20/24/27/853202427.db2.gz	UNLSJNOQZXUMEY-LJQANCHMSA-N	1	0	370.497	1.240	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)ccc1Br	ZINC000906728541	853227945	/nfs/dbraw/zinc/22/79/45/853227945.db2.gz	XEZJNQZGBRITSH-KGYLQXTDSA-N	1	0	363.215	1.268	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@]2(C#N)CC3CCC2CC3)CC1	ZINC000907043197	853685609	/nfs/dbraw/zinc/68/56/09/853685609.db2.gz	MFONKSGSUQLMMS-QCECMTGHSA-N	1	0	358.486	1.471	20	30		FDEDRO
C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2c(C#N)sc3ccccc32)C1	ZINC000907119921	853828744	/nfs/dbraw/zinc/82/87/44/853828744.db2.gz	RQTLVEAIMCCZSH-HNNXBMFYSA-N	1	0	351.453	1.118	20	30		FDEDRO
CC[N@H+](CCO)CCNS(=O)(=O)c1c(C#N)sc2ccccc21	ZINC000907126434	853836480	/nfs/dbraw/zinc/83/64/80/853836480.db2.gz	DWESHIRCFGBDME-UHFFFAOYSA-N	1	0	353.469	1.365	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)C2CCC([NH+]3CCOCC3)CC2)n1	ZINC000907838741	854685061	/nfs/dbraw/zinc/68/50/61/854685061.db2.gz	ZENKRWZDBIQKFR-UHFFFAOYSA-N	1	0	358.486	1.756	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1OC	ZINC001212148937	862598616	/nfs/dbraw/zinc/59/86/16/862598616.db2.gz	VKPOJZZDGPXPKL-RCCFBDPRSA-N	1	0	352.475	1.191	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NCC[N@H+]2CCC(C)(C)C2)c1	ZINC000908084947	854964062	/nfs/dbraw/zinc/96/40/62/854964062.db2.gz	MNWOWRVQYQKECG-UHFFFAOYSA-N	1	0	365.499	1.613	20	30		FDEDRO
C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000908161167	855098428	/nfs/dbraw/zinc/09/84/28/855098428.db2.gz	DGRZLBJATJJALH-KUHUBIRLSA-N	1	0	361.417	1.522	20	30		FDEDRO
C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](CO)C[NH+]1CCCC1	ZINC000908207302	855195771	/nfs/dbraw/zinc/19/57/71/855195771.db2.gz	WXYJMOIUUVHHNA-INIZCTEOSA-N	1	0	370.453	1.624	20	30		FDEDRO
CC(C)C[C@H](NC(=O)c1ccsc1C#N)C(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000908369388	855354878	/nfs/dbraw/zinc/35/48/78/855354878.db2.gz	LBCICQWADYLWFK-ZFWWWQNUSA-N	1	0	362.499	1.927	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1NC(=O)CC12CCN(C(=O)OC(C)(C)C)CC2	ZINC000908415257	855401985	/nfs/dbraw/zinc/40/19/85/855401985.db2.gz	SQYDFOOFUGDOHG-UHFFFAOYSA-N	1	0	366.462	1.137	20	30		FDEDRO
CN(C)c1ccc([C@H](CNS(=O)(=O)c2cncc(C#N)c2)[NH+](C)C)cc1	ZINC000908459197	855443943	/nfs/dbraw/zinc/44/39/43/855443943.db2.gz	AUGLQYHPPADFFW-SFHVURJKSA-N	1	0	373.482	1.600	20	30		FDEDRO
C=CCn1c(CC(C)C)nnc1N1CCC(C(N)=O)([NH+]2CCCCC2)CC1	ZINC000908643256	855651437	/nfs/dbraw/zinc/65/14/37/855651437.db2.gz	NRGMQVMPVLHJCN-UHFFFAOYSA-N	1	0	374.533	1.973	20	30		FDEDRO
C=CCn1c(-c2ncnc3[nH]cnc32)nnc1N1CC[NH+](CC(C)C)CC1	ZINC000908712826	855716894	/nfs/dbraw/zinc/71/68/94/855716894.db2.gz	WZLYJVZNRVOMCN-UHFFFAOYSA-N	1	0	367.461	1.527	20	30		FDEDRO
C[NH+](C)CCN1C[C@@H](C(=O)N[C@H](CCCC#N)c2ccccc2)CC1=O	ZINC000487189035	856101790	/nfs/dbraw/zinc/10/17/90/856101790.db2.gz	UVEOTRUWEPADLT-ZWKOTPCHSA-N	1	0	356.470	1.948	20	30		FDEDRO
C#CC[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1	ZINC000910725703	857560298	/nfs/dbraw/zinc/56/02/98/857560298.db2.gz	URVAKXSAJQPPCI-SJORKVTESA-N	1	0	354.454	1.381	20	30		FDEDRO
C#CCN(C(=O)C(=O)N(C)Cc1csc(CC)n1)C1CC[NH+](C)CC1	ZINC000910886145	857838523	/nfs/dbraw/zinc/83/85/23/857838523.db2.gz	RDWCXBGQNGEKBS-UHFFFAOYSA-N	1	0	362.499	1.220	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CCSC(CC)(CC)C1)C1CC[NH+](C)CC1	ZINC000910888018	857842494	/nfs/dbraw/zinc/84/24/94/857842494.db2.gz	WXGQCEUTCMFJTO-UHFFFAOYSA-N	1	0	365.543	1.677	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccccn2)C[C@H]1C	ZINC001105760412	862965797	/nfs/dbraw/zinc/96/57/97/862965797.db2.gz	OZZMKZIGXSXLQH-HZPDHXFCSA-N	1	0	357.458	1.141	20	30		FDEDRO
CC(C)(CC#N)CNC(=O)C(=O)N1CCC(C[NH3+])(c2ccccc2)CC1	ZINC000911015958	858041917	/nfs/dbraw/zinc/04/19/17/858041917.db2.gz	UHJYJZFYGNVAJH-UHFFFAOYSA-N	1	0	356.470	1.562	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)NCCCCCC2CC[NH2+]CC2)c1	ZINC000911056152	858055079	/nfs/dbraw/zinc/05/50/79/858055079.db2.gz	SEFOTLBGUWKBIG-UHFFFAOYSA-N	1	0	356.470	1.851	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1)c1ccc(C#N)cc1	ZINC000911133034	858196888	/nfs/dbraw/zinc/19/68/88/858196888.db2.gz	DMFJMPMREDCJSW-BPNCWPANSA-N	1	0	368.359	1.474	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]CC2)CC1	ZINC000911315794	858485332	/nfs/dbraw/zinc/48/53/32/858485332.db2.gz	PKXPWFDQNCCAQA-NJAFHUGGSA-N	1	0	363.502	1.322	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)NCc1ccc(CN2CC[NH2+]CC2)cc1	ZINC000911340910	858532920	/nfs/dbraw/zinc/53/29/20/858532920.db2.gz	ISOXXLABMCRXQM-UHFFFAOYSA-N	1	0	372.513	1.427	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1	ZINC000911385125	858547775	/nfs/dbraw/zinc/54/77/75/858547775.db2.gz	IPTOENQAQOMIAY-IXDOHACOSA-N	1	0	363.502	1.512	20	30		FDEDRO
C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NCCN1CCC([NH3+])CC1	ZINC000911412252	858599571	/nfs/dbraw/zinc/59/95/71/858599571.db2.gz	LCPMEZIMBFFJNC-UHFFFAOYSA-N	1	0	358.486	1.131	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C[C@H](C)N1CC#N	ZINC000911710322	858918198	/nfs/dbraw/zinc/91/81/98/858918198.db2.gz	ZQOSVWSSEAICFZ-HDICACEKSA-N	1	0	369.513	1.492	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@H](C)N1CC#N	ZINC000911707769	858938356	/nfs/dbraw/zinc/93/83/56/858938356.db2.gz	MFFAIOTWDMSOJI-FUHIMQAGSA-N	1	0	356.470	1.068	20	30		FDEDRO
C[NH+]1CCC(N(CCO)C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1	ZINC000911942615	859139832	/nfs/dbraw/zinc/13/98/32/859139832.db2.gz	HGBSYNFBWHRXKC-UHFFFAOYSA-N	1	0	354.410	1.742	20	30		FDEDRO
CN(C1CC[NH+](CCO)CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000489249218	859479305	/nfs/dbraw/zinc/47/93/05/859479305.db2.gz	NPBYFSKUILVQAY-LJQANCHMSA-N	1	0	356.470	1.442	20	30		FDEDRO
C=CCN1C(=S)N=NC1c1sc(NC(=O)C23CC(C2)C[NH2+]3)nc1C	ZINC000912215632	859482811	/nfs/dbraw/zinc/48/28/11/859482811.db2.gz	ZGEMZZLTPYARJC-UHFFFAOYSA-N	1	0	362.484	1.875	20	30		FDEDRO
COCCOCCCNC(NCCCN1CCOCC1)=[NH+]C(C)(C)C	ZINC000912499137	859826715	/nfs/dbraw/zinc/82/67/15/859826715.db2.gz	LRHIQHYITKCXOJ-UHFFFAOYSA-N	1	0	358.527	1.096	20	30		FDEDRO
CC(C)(C)[NH+]=C(NCCc1ccccc1)NCCN1CCCS1(=O)=O	ZINC000912506033	859831087	/nfs/dbraw/zinc/83/10/87/859831087.db2.gz	GCYWFTKCJHMOMP-UHFFFAOYSA-N	1	0	366.531	1.598	20	30		FDEDRO
CC(C)(C)[NH+]=C(NCCCN1CCOCC1)NC[C@@](C)(O)c1ccco1	ZINC000912506608	859831698	/nfs/dbraw/zinc/83/16/98/859831698.db2.gz	RIIMOHKOZWJDJF-LJQANCHMSA-N	1	0	366.506	1.543	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCCN(C)C2=O)C[C@H]1C	ZINC001106871903	881561221	/nfs/dbraw/zinc/56/12/21/881561221.db2.gz	VREJIKBHIPEWDA-BRWVUGGUSA-N	1	0	351.491	1.132	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)C[C@H]1CCCOC1	ZINC000669034060	860848298	/nfs/dbraw/zinc/84/82/98/860848298.db2.gz	HGPZOTRKZXDZBH-ZACQAIPSSA-N	1	0	361.490	1.863	20	30		FDEDRO
C=CCn1c(-c2cn(C)nn2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1	ZINC000669040614	860951278	/nfs/dbraw/zinc/95/12/78/860951278.db2.gz	VVWOQVRDUIZUQV-HNNXBMFYSA-N	1	0	356.478	1.572	20	30		FDEDRO
C=CCn1c([C@@H]2CCO[C@H]2C)nnc1N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000669045198	860994421	/nfs/dbraw/zinc/99/44/21/860994421.db2.gz	GQRQOILURMYYEJ-GVDBMIGSSA-N	1	0	363.506	1.904	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CC[C@H]([NH+]3CCC3)C2)CC1	ZINC000912903535	861035596	/nfs/dbraw/zinc/03/55/96/861035596.db2.gz	RTAQKCMEARZEFS-KRWDZBQOSA-N	1	0	361.486	1.944	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)/C=C/c3ccco3)C[C@H]2C)CC1	ZINC000947214026	863138690	/nfs/dbraw/zinc/13/86/90/863138690.db2.gz	PNYHFOREXXVYMG-HVMFBIMJSA-N	1	0	369.465	1.601	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](CC)[NH+](C)C	ZINC001004809100	881631725	/nfs/dbraw/zinc/63/17/25/881631725.db2.gz	FUXGLDPPIYGCEN-WTGUMLROSA-N	1	0	367.493	1.799	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H]2CCCCO2)C1	ZINC001112101178	863271856	/nfs/dbraw/zinc/27/18/56/863271856.db2.gz	BKMUASNVLVJKEZ-RBSFLKMASA-N	1	0	362.392	1.574	20	30		FDEDRO
C=CCc1cc(C[NH2+][C@H]2CCN(C3CCOCC3)C2=O)cc(OC)c1O	ZINC000673886167	881645844	/nfs/dbraw/zinc/64/58/44/881645844.db2.gz	SFIKFWZJCTWPGN-KRWDZBQOSA-N	1	0	360.454	1.999	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCC[N@H+]1C	ZINC001004812507	881648174	/nfs/dbraw/zinc/64/81/74/881648174.db2.gz	NXBFQTROAKHTFF-ZRNYENFQSA-N	1	0	365.477	1.553	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CC3(C2)CCOCC3)C[C@H]1C	ZINC001106873069	881663572	/nfs/dbraw/zinc/66/35/72/881663572.db2.gz	RKIRLORJEXIBBE-NVXWUHKLSA-N	1	0	363.502	1.180	20	30		FDEDRO
CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)CSCC#N)C[C@H]2C)s1	ZINC001105846318	863476193	/nfs/dbraw/zinc/47/61/93/863476193.db2.gz	RDTJICWANXUZEA-VXGBXAGGSA-N	1	0	353.517	1.541	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]Cc1nc(C(F)F)no1	ZINC001105849554	863498775	/nfs/dbraw/zinc/49/87/75/863498775.db2.gz	ZUNOAKAYSFLPSB-NXEZZACHSA-N	1	0	359.402	1.448	20	30		FDEDRO
CO[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1NC(=O)/C=C\c1ccc[nH]1	ZINC001212172860	863691777	/nfs/dbraw/zinc/69/17/77/863691777.db2.gz	UFOGKRAYRJKXIR-YZBXUTEPSA-N	1	0	350.422	1.915	20	30		FDEDRO
CCCC(=O)NCC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1	ZINC001105890754	863706390	/nfs/dbraw/zinc/70/63/90/863706390.db2.gz	MFOSLDCDVDUPQB-CRAIPNDOSA-N	1	0	356.470	1.659	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CNc2ccc(C#N)nn2)CC[N@@H+]1C	ZINC001060316482	863781987	/nfs/dbraw/zinc/78/19/87/863781987.db2.gz	XETZBIZGUCOLJY-YESZJQIVSA-N	1	0	356.474	1.872	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C3CC3)[nH]2)[C@H](C)C1	ZINC001105914811	863962869	/nfs/dbraw/zinc/96/28/69/863962869.db2.gz	GCPPTZAGLIBUFT-IIAWOOMASA-N	1	0	361.490	1.847	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@H]1C(F)(F)F	ZINC001112116119	864067005	/nfs/dbraw/zinc/06/70/05/864067005.db2.gz	LIBFFYQYJFVIFZ-DGCLKSJQSA-N	1	0	358.364	1.339	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2nnc(C(C)(C)C)o2)[C@H](C)C1	ZINC001105937602	864130024	/nfs/dbraw/zinc/13/00/24/864130024.db2.gz	BKFPZAGZUVEZTB-ZIAGYGMSSA-N	1	0	350.463	1.754	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)c2cc(F)ccc2F)[C@H](C)C1	ZINC001105937663	864130409	/nfs/dbraw/zinc/13/04/09/864130409.db2.gz	DTACTPQSPKESAG-HBUWYVDXSA-N	1	0	368.424	1.885	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NCc2ccco2)[C@H](C)C1	ZINC001105938334	864132111	/nfs/dbraw/zinc/13/21/11/864132111.db2.gz	QIMMLPHUGFIRTM-BZUAXINKSA-N	1	0	363.458	1.171	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccccc2F)[C@H](C)C1	ZINC001105938013	864132240	/nfs/dbraw/zinc/13/22/40/864132240.db2.gz	KVVILZNJHQYMCO-HUUCEWRRSA-N	1	0	363.433	1.651	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)N2CCC(C)CC2)[C@H](C)C1	ZINC001105938587	864133609	/nfs/dbraw/zinc/13/36/09/864133609.db2.gz	SRIYSVBCDCHWEP-KZNAEPCWSA-N	1	0	365.518	1.520	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CC(=C)C)[C@H](C)C1	ZINC001105942304	864169306	/nfs/dbraw/zinc/16/93/06/864169306.db2.gz	FMNBIHCDCDLHSD-IAGOWNOFSA-N	1	0	351.491	1.298	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCc2ccccc2)[C@H](C)C1	ZINC001105951496	864210434	/nfs/dbraw/zinc/21/04/34/864210434.db2.gz	FCLDAXHVDPOORT-ZHALLVOQSA-N	1	0	370.497	1.579	20	30		FDEDRO
CCN(CCC#N)CN1C(=O)N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O	ZINC000060212024	864299005	/nfs/dbraw/zinc/29/90/05/864299005.db2.gz	UMYVEQPAENQLNO-FQEVSTJZSA-N	1	0	369.469	1.766	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]Cc2nn(CC)nc2C)[C@H](C)C1	ZINC001105982677	864335409	/nfs/dbraw/zinc/33/54/09/864335409.db2.gz	SNMAUBFSBXZOOY-NVXWUHKLSA-N	1	0	363.506	1.773	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]CCOC[C@H]2CCCO2)[C@H](C)C1	ZINC001105982711	864335715	/nfs/dbraw/zinc/33/57/15/864335715.db2.gz	UVTCFSZCLUJKPP-GUDVDZBRSA-N	1	0	368.518	1.849	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NCCCC)[C@H](C)C1	ZINC001105984417	864342616	/nfs/dbraw/zinc/34/26/16/864342616.db2.gz	IYJYVRYWENQBDL-FGTMMUONSA-N	1	0	367.534	1.958	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)n2CC)[C@H](C)C1	ZINC001105985798	864354773	/nfs/dbraw/zinc/35/47/73/864354773.db2.gz	UBQJAWPSJAJSKZ-NVXWUHKLSA-N	1	0	363.506	1.773	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CCCN3CCCC3=O)[C@@H]2C)c1	ZINC001088846874	864552802	/nfs/dbraw/zinc/55/28/02/864552802.db2.gz	LTWNQABHVYCEDE-QAPCUYQASA-N	1	0	354.454	1.268	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C)ncn2)C[C@H]1C	ZINC001106014018	864649322	/nfs/dbraw/zinc/64/93/22/864649322.db2.gz	GPODZJGVZJLBAE-ZWNOBZJWSA-N	1	0	353.264	1.991	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)[C@H]1C	ZINC001088855405	864711849	/nfs/dbraw/zinc/71/18/49/864711849.db2.gz	HBDFMGUWJVSTFE-VSZNYVQBSA-N	1	0	363.502	1.702	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NCCC)[C@H](C)C1	ZINC001106025817	864813659	/nfs/dbraw/zinc/81/36/59/864813659.db2.gz	JBZGINMAIUUZNG-HZPDHXFCSA-N	1	0	364.490	1.100	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C)nc2C)[C@H](C)C1	ZINC001106029184	864875137	/nfs/dbraw/zinc/87/51/37/864875137.db2.gz	KGQCTHXNZOPELR-RDTXWAMCSA-N	1	0	356.470	1.022	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccnc(Cl)c2)[C@H](C)C1	ZINC001106028994	864875228	/nfs/dbraw/zinc/87/52/28/864875228.db2.gz	CZSGLQJRANVBHZ-UKRRQHHQSA-N	1	0	362.861	1.059	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2F)[C@H](C)C1	ZINC001106029196	864877674	/nfs/dbraw/zinc/87/76/74/864877674.db2.gz	KSYBCYNCJUQWRR-UKRRQHHQSA-N	1	0	363.408	1.288	20	30		FDEDRO
CC(C)CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC001106029386	864878196	/nfs/dbraw/zinc/87/81/96/864878196.db2.gz	OTNCTQXQLDAARY-IIAWOOMASA-N	1	0	359.474	1.345	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2sccc2Cl)[C@H](C)C1	ZINC001106029445	864881248	/nfs/dbraw/zinc/88/12/48/864881248.db2.gz	RTXYCQVQJYONDZ-CHWSQXEVSA-N	1	0	367.902	1.725	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cncnc2)C[C@H]1C	ZINC001106036394	864927419	/nfs/dbraw/zinc/92/74/19/864927419.db2.gz	ARZKBUKGLDIFRN-NVXWUHKLSA-N	1	0	359.474	1.199	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[C@@H](C)OC)C[C@H]1C	ZINC001106039697	864938319	/nfs/dbraw/zinc/93/83/19/864938319.db2.gz	ZRBVSHLXXLLCDZ-KZNAEPCWSA-N	1	0	367.534	1.910	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCCN2CCc3ccccc32)CC1	ZINC000170913450	865017020	/nfs/dbraw/zinc/01/70/20/865017020.db2.gz	MJZUNQISGQIRKO-UHFFFAOYSA-N	1	0	373.501	1.964	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2csc(COC)n2)[C@H](C)C1	ZINC001106058586	865072322	/nfs/dbraw/zinc/07/23/22/865072322.db2.gz	FQGMGRLDMZDYOS-LBTNJELSSA-N	1	0	367.515	1.801	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nc(C(F)F)no2)[C@H](C)C1	ZINC001106058624	865072378	/nfs/dbraw/zinc/07/23/78/865072378.db2.gz	GYQRZGIPBJHFOG-UVWXRNBGSA-N	1	0	358.389	1.518	20	30		FDEDRO
CC[C@@H](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CCC#N)[C@H](C)C1	ZINC001106062527	865088429	/nfs/dbraw/zinc/08/84/29/865088429.db2.gz	VEZNJPSUTHKGNW-BRWVUGGUSA-N	1	0	350.507	1.869	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2cn(C)nc2C(F)F)[C@H](C)C1	ZINC001106065095	865105504	/nfs/dbraw/zinc/10/55/04/865105504.db2.gz	PFSKSGLDLBNXMH-SNUQEOBHSA-N	1	0	370.444	1.869	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nnc(OCC)s2)[C@H](C)C1	ZINC001106065050	865105664	/nfs/dbraw/zinc/10/56/64/865105664.db2.gz	NUGHKRAETKFECG-XNJGSVPQSA-N	1	0	368.503	1.448	20	30		FDEDRO
C[NH+]1CCN(c2cc(C(=O)NCc3ccc(OCC#N)cc3)ccn2)CC1	ZINC000171803429	865360059	/nfs/dbraw/zinc/36/00/59/865360059.db2.gz	LLGYVWIEDALGEL-UHFFFAOYSA-N	1	0	365.437	1.666	20	30		FDEDRO
CCOC(=O)C(C)N=Nc1cc(-n2ccnc2C(N)=[NH2+])ccc1[N+](=O)[O-]	ZINC001168420254	865412292	/nfs/dbraw/zinc/41/22/92/865412292.db2.gz	RVQLQBFMDNWWLY-OCKHKDLRSA-N	1	0	359.346	1.415	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2oc(CC)cc2C)C[C@H]1C	ZINC001106882628	881888104	/nfs/dbraw/zinc/88/81/04/881888104.db2.gz	YJMJNJKKGJOQFR-BZUAXINKSA-N	1	0	359.470	1.586	20	30		FDEDRO
CC(C)CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(C#N)[nH]1)C2	ZINC001112305931	865821135	/nfs/dbraw/zinc/82/11/35/865821135.db2.gz	OYMYUKAECYUUDW-YWZLYKJASA-N	1	0	371.485	1.490	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](CCc2ccnn2C)[C@@H]1C	ZINC001089006810	866050969	/nfs/dbraw/zinc/05/09/69/866050969.db2.gz	ZBYZINMPMMYGMB-UZLBHIALSA-N	1	0	350.466	1.766	20	30		FDEDRO
CC(=O)N1CC[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)C1	ZINC001089007193	866052361	/nfs/dbraw/zinc/05/23/61/866052361.db2.gz	TVKBPDQFNWHQSV-ZMYBRWDISA-N	1	0	354.454	1.506	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3cc(C)ncn3)[C@@H]2C)CC1	ZINC001089059182	866381106	/nfs/dbraw/zinc/38/11/06/866381106.db2.gz	CMBZFDOMFALFIP-APWZRJJASA-N	1	0	355.486	1.209	20	30		FDEDRO
Cc1nonc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)[C@@H]1C	ZINC001089077029	866552362	/nfs/dbraw/zinc/55/23/62/866552362.db2.gz	JJHWKDZHSPZOII-CJNGLKHVSA-N	1	0	355.398	1.673	20	30		FDEDRO
C[C@@H]1CN(C(=O)CNc2ccc(C#N)cn2)CC[N@H+](Cc2ccccc2)C1	ZINC000456322494	866830788	/nfs/dbraw/zinc/83/07/88/866830788.db2.gz	DLTAGVXOEYPEQK-KRWDZBQOSA-N	1	0	363.465	2.346	20	30		FDEDRO
C=CCC[C@H](CO)NC(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000457661754	867607433	/nfs/dbraw/zinc/60/74/33/867607433.db2.gz	HAQBFFXFZLDPRG-HXUWFJFHSA-N	1	0	374.529	1.950	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C1	ZINC000992066088	867612455	/nfs/dbraw/zinc/61/24/55/867612455.db2.gz	CRSJHVPCOSVRAU-MOPGFXCFSA-N	1	0	371.481	1.670	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C1	ZINC000992067590	867631470	/nfs/dbraw/zinc/63/14/70/867631470.db2.gz	RQQWUFOXLHICTE-SJORKVTESA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)c2cccc(C[NH+](C)C)c2)C1	ZINC000992073698	867687757	/nfs/dbraw/zinc/68/77/57/867687757.db2.gz	AQRNYSRYQWDBGS-MOPGFXCFSA-N	1	0	371.481	1.670	20	30		FDEDRO
Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)ncc1C#N	ZINC000457835060	867713373	/nfs/dbraw/zinc/71/33/73/867713373.db2.gz	LMDIAFTWLYOUNL-MQVJKMGUSA-N	1	0	355.442	1.075	20	30		FDEDRO
NC(C[NH+]1CCCCCC1)=NOCC(=O)NC[C@H]1Cc2ccccc2O1	ZINC000151528493	867915365	/nfs/dbraw/zinc/91/53/65/867915365.db2.gz	NKGXHRAESOBTGT-MRXNPFEDSA-N	1	0	360.458	1.271	20	30		FDEDRO
CC[C@H]1CN(C(=O)NCc2ccc(C#N)c(OC)c2)CC[N@@H+]1C[C@@H](C)O	ZINC000462480493	868002218	/nfs/dbraw/zinc/00/22/18/868002218.db2.gz	MQYMTXAHUVXTHA-PBHICJAKSA-N	1	0	360.458	1.553	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]CC(=O)NC(C1CC1)C1CC1	ZINC001106101286	868102138	/nfs/dbraw/zinc/10/21/38/868102138.db2.gz	RGEKRWLJWLLCBL-RDTXWAMCSA-N	1	0	357.498	1.389	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C[NH2+]CC(=O)Nc1cnccn1	ZINC001106109215	868297118	/nfs/dbraw/zinc/29/71/18/868297118.db2.gz	FWPIDBBIFVRTOU-HUUCEWRRSA-N	1	0	357.458	1.149	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2c(C)nn(C)c2Cl)[C@H](C)C1	ZINC001106111302	868388465	/nfs/dbraw/zinc/38/84/65/868388465.db2.gz	LORRZGFHDUQTJM-VHDGCEQUSA-N	1	0	366.893	1.604	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2nc(C(F)F)no2)[C@H](C)C1	ZINC001106114554	868496888	/nfs/dbraw/zinc/49/68/88/868496888.db2.gz	BYRUQNZLIUYQIB-VXGBXAGGSA-N	1	0	356.373	1.231	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C(N)=O)cc2)[C@H](C)C1	ZINC001106114589	868497935	/nfs/dbraw/zinc/49/79/35/868497935.db2.gz	DHYXLXXWFHTZKF-CRAIPNDOSA-N	1	0	357.454	1.010	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)[C@H](C)C1	ZINC001106115519	868524904	/nfs/dbraw/zinc/52/49/04/868524904.db2.gz	YNNYTEPDGMVWNA-HUUCEWRRSA-N	1	0	361.490	1.326	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC1(OC)CCC1)C2	ZINC001112330160	868958097	/nfs/dbraw/zinc/95/80/97/868958097.db2.gz	AXQREHUHCNZUIL-LPHOPBHVSA-N	1	0	363.502	1.466	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCC3CCOCC3)C[C@@H]2O)cc1	ZINC001083691624	869097790	/nfs/dbraw/zinc/09/77/90/869097790.db2.gz	YJYBTQFINDOZPJ-UXHICEINSA-N	1	0	356.466	1.650	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)CC1	ZINC000914081204	870666566	/nfs/dbraw/zinc/66/65/66/870666566.db2.gz	RMKYVOQCVHTUKI-IBGZPJMESA-N	1	0	368.481	1.747	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)N2CCOCC2)CC1	ZINC000914107031	870803710	/nfs/dbraw/zinc/80/37/10/870803710.db2.gz	VKUGYAVGMZDWES-FQEVSTJZSA-N	1	0	370.497	1.457	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cscc2C(F)F)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106141366	871143032	/nfs/dbraw/zinc/14/30/32/871143032.db2.gz	BDPWJLMBYHEQAB-GHMZBOCLSA-N	1	0	370.425	1.623	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2C)cn1	ZINC000994385842	882491206	/nfs/dbraw/zinc/49/12/06/882491206.db2.gz	BOKUEBJUGIXLIU-SOLBZPMBSA-N	1	0	368.481	1.229	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1	ZINC000992687456	871329374	/nfs/dbraw/zinc/32/93/74/871329374.db2.gz	KBPJZJFFTLMDPN-XGHQBKJUSA-N	1	0	370.497	1.689	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)NC(C)=O)[C@@H](n2ccnn2)C1	ZINC001128653378	882510820	/nfs/dbraw/zinc/51/08/20/882510820.db2.gz	YTNFJPDDLHHWKZ-UAGQMJEPSA-N	1	0	364.494	1.115	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3cccnc3n2)C[C@H]1C	ZINC001106154715	871448941	/nfs/dbraw/zinc/44/89/41/871448941.db2.gz	JJGXQBRJPDSCSI-NVXWUHKLSA-N	1	0	352.438	1.577	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)NC(C)=O)[C@@H](n2ccnn2)C1	ZINC001128653377	882511649	/nfs/dbraw/zinc/51/16/49/882511649.db2.gz	YTNFJPDDLHHWKZ-OIISXLGYSA-N	1	0	364.494	1.115	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(C(=O)NC)cc2)C1	ZINC001033431537	882512007	/nfs/dbraw/zinc/51/20/07/882512007.db2.gz	FLPHQQGELXUGOO-QRVBRYPASA-N	1	0	371.481	1.670	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)c3cc[nH]c3)C[C@H]2C)c1	ZINC001106159599	871473100	/nfs/dbraw/zinc/47/31/00/871473100.db2.gz	YIHZDIFCEFTSLA-CRAIPNDOSA-N	1	0	364.449	1.932	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)NC(=O)CC)C[C@H]1C	ZINC001106164226	871499082	/nfs/dbraw/zinc/49/90/82/871499082.db2.gz	HIXZYWBWLTUVSJ-KGYLQXTDSA-N	1	0	360.296	1.494	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1	ZINC000914242659	871995277	/nfs/dbraw/zinc/99/52/77/871995277.db2.gz	QLHWPMAPKOBISG-UHFFFAOYSA-N	1	0	374.460	1.559	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)c2ccc3c[nH+]cn3c2C)C1	ZINC001002982466	872099168	/nfs/dbraw/zinc/09/91/68/872099168.db2.gz	TVGOXAVJLMZJOV-MSOLQXFVSA-N	1	0	368.437	1.422	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@]2(C)C1)[NH+](C)C	ZINC000992815166	872512266	/nfs/dbraw/zinc/51/22/66/872512266.db2.gz	IKBVDYAVIBTRCR-RIFZZMRRSA-N	1	0	371.485	1.393	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(CN(C)C)on2)[C@H](OC)C1	ZINC001212495877	872518629	/nfs/dbraw/zinc/51/86/29/872518629.db2.gz	RRCFCOVDBATMCH-IAOVAPTHSA-N	1	0	350.463	1.520	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(COC)on1)C2	ZINC001112541960	873081725	/nfs/dbraw/zinc/08/17/25/873081725.db2.gz	XYLJFHYRANWYSP-KXBFYZLASA-N	1	0	361.442	1.303	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(C#N)c1	ZINC001003354607	873186546	/nfs/dbraw/zinc/18/65/46/873186546.db2.gz	IKYPNDCNNHQCRW-BDXSIMOUSA-N	1	0	369.469	1.622	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]cc2C)CC1	ZINC001003366341	873245728	/nfs/dbraw/zinc/24/57/28/873245728.db2.gz	WZHXEJRABSYIMV-QRQLOZEOSA-N	1	0	368.481	1.530	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NC2CC2)[C@H](C)C1	ZINC001106192115	873258659	/nfs/dbraw/zinc/25/86/59/873258659.db2.gz	WGRYSBJBIRWYQO-RBSFLKMASA-N	1	0	364.490	1.404	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc3occc3[nH]2)C[C@H]1C	ZINC001106194653	873281262	/nfs/dbraw/zinc/28/12/62/873281262.db2.gz	VRKJGAUOTYKLSA-HZSPNIEDSA-N	1	0	356.426	1.197	20	30		FDEDRO
Cn1cncc1[C@@H]1C[C@H]1C(=O)NCCC1(CNc2ccc(C#N)nn2)CC1	ZINC001090002077	873340397	/nfs/dbraw/zinc/34/03/97/873340397.db2.gz	YHIRYZZIMLHSAP-HUUCEWRRSA-N	1	0	365.441	1.584	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)C)[C@H](C)C1)OCC	ZINC001106197250	873453745	/nfs/dbraw/zinc/45/37/45/873453745.db2.gz	NJLKBWKTQKCXCT-ZACQAIPSSA-N	1	0	353.507	1.566	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)[C@H]4C[C@@H]4C)C[C@@]3(C)C2)CC1	ZINC000993017501	873693283	/nfs/dbraw/zinc/69/32/83/873693283.db2.gz	FAVQIKWJURRRDT-QUJKESNLSA-N	1	0	357.498	1.295	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)C4CCC4)C[C@@]3(C)C2)CC1	ZINC000993018395	873699923	/nfs/dbraw/zinc/69/99/23/873699923.db2.gz	IMZVKZVBBCSORT-NQIIRXRSSA-N	1	0	357.498	1.439	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+]([C@@H]2CCN(C(C)(C)C)C2=O)CC1	ZINC001003651638	873925069	/nfs/dbraw/zinc/92/50/69/873925069.db2.gz	GHVVDGNWDWQCNR-ZACQAIPSSA-N	1	0	363.502	1.558	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c(Cl)n[nH]c2CC)C[C@H]1C	ZINC001106235025	874045030	/nfs/dbraw/zinc/04/50/30/874045030.db2.gz	IUNQSFNJPVMXPD-VXGBXAGGSA-N	1	0	367.881	1.225	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3nncs3)[C@H](C)C2)CCOCC1	ZINC001106235032	874045440	/nfs/dbraw/zinc/04/54/40/874045440.db2.gz	IZECSVBIJWPZLC-HUUCEWRRSA-N	1	0	362.499	1.542	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]C[C@H]3CCCOC3)[C@H](C)C2)CCOCC1	ZINC001106235227	874047092	/nfs/dbraw/zinc/04/70/92/874047092.db2.gz	NADSBRAANSUTSE-GUDVDZBRSA-N	1	0	362.514	1.917	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]CC(=O)N[C@@H](C)C3CC3)[C@H](C)C2)CCC1	ZINC001106236474	874062796	/nfs/dbraw/zinc/06/27/96/874062796.db2.gz	QJYPXLPYAASZCO-SOLBZPMBSA-N	1	0	359.514	1.779	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2coc3c2cccc3C)C[C@H]1C	ZINC001106255433	874167992	/nfs/dbraw/zinc/16/79/92/874167992.db2.gz	RFRSFDTVFBDXQT-HZPDHXFCSA-N	1	0	367.449	1.788	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cnc3nccnc3c2)C[C@H]1C	ZINC001106261021	874211856	/nfs/dbraw/zinc/21/18/56/874211856.db2.gz	NBJSJGKHLIBJOR-GDBMZVCRSA-N	1	0	355.442	1.525	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106283153	874422182	/nfs/dbraw/zinc/42/21/82/874422182.db2.gz	NDDDDTFGFKQHLR-BHIYHBOVSA-N	1	0	353.466	1.248	20	30		FDEDRO
COC[C@H](C)NC(=S)NN=Cc1ccc(OCC[NH+]2CCCC2)cc1	ZINC000914692020	874499741	/nfs/dbraw/zinc/49/97/41/874499741.db2.gz	LIEPRMZSQGOEDP-HNNXBMFYSA-N	1	0	364.515	1.994	20	30		FDEDRO
C[C@H]1CC(N=Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)C[N@@H+]1C	ZINC000761811310	874519160	/nfs/dbraw/zinc/51/91/60/874519160.db2.gz	YWWVTUICGSCTIC-AWEZNQCLSA-N	1	0	365.503	1.115	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(C3CC3)CC2)C[C@H]1C	ZINC001106292055	874544482	/nfs/dbraw/zinc/54/44/82/874544482.db2.gz	WQXVNSXNPIRKNT-HZPDHXFCSA-N	1	0	360.502	1.623	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)N(C)CCO3)C[C@H]1C	ZINC001106314875	874754620	/nfs/dbraw/zinc/75/46/20/874754620.db2.gz	VSAHMHGRSHEZDL-SJLPKXTDSA-N	1	0	371.481	1.463	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)c2c(C)n[nH]c2C)C[C@H]1C	ZINC001106340113	874836626	/nfs/dbraw/zinc/83/66/26/874836626.db2.gz	MAPBRFXITKZAAB-IIDMSEBBSA-N	1	0	360.502	1.854	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)NCc1ccc(C#N)cc1F)C2	ZINC000917055961	882873004	/nfs/dbraw/zinc/87/30/04/882873004.db2.gz	NBMXDHPUFCEENJ-FTEYMNFISA-N	1	0	374.460	1.976	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(NC(C)=O)cc2)C[C@H]1C	ZINC001106384566	875005319	/nfs/dbraw/zinc/00/53/19/875005319.db2.gz	MHWCEZRAPHMMCX-VQIMIIECSA-N	1	0	371.481	1.521	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc3cccnc32)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106382418	875012824	/nfs/dbraw/zinc/01/28/24/875012824.db2.gz	LKNUKAGOBHLYGP-GDBMZVCRSA-N	1	0	365.437	1.172	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3[nH]2)C[C@H]1C	ZINC001106391804	875058087	/nfs/dbraw/zinc/05/80/87/875058087.db2.gz	DTWITUBIJNWXFI-HZPDHXFCSA-N	1	0	367.449	1.476	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1C	ZINC001106391697	875058564	/nfs/dbraw/zinc/05/85/64/875058564.db2.gz	BXQBGBNVEXBGGW-IAGOWNOFSA-N	1	0	363.502	1.956	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(Cl)cc2F)C[C@H]1C	ZINC001106395375	875085795	/nfs/dbraw/zinc/08/57/95/875085795.db2.gz	UUFJMOXCLYCJTE-CHWSQXEVSA-N	1	0	365.836	1.526	20	30		FDEDRO
CCCc1ccccc1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106403677	875132608	/nfs/dbraw/zinc/13/26/08/875132608.db2.gz	MGPRKLADYDNEHW-NVXWUHKLSA-N	1	0	356.470	1.577	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc3c2CCOC3)C[C@H]1C	ZINC001106412352	875159682	/nfs/dbraw/zinc/15/96/82/875159682.db2.gz	NACARNJBZJINQK-SJLPKXTDSA-N	1	0	356.466	1.707	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCc2cccc(OC)c2)C[C@H]1C	ZINC001106417425	875213271	/nfs/dbraw/zinc/21/32/71/875213271.db2.gz	QPJJKNRINCHBEM-IEBWSBKVSA-N	1	0	358.482	1.962	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cn2cnc3c2CCCC3)C[C@H]1C	ZINC001106434688	875300382	/nfs/dbraw/zinc/30/03/82/875300382.db2.gz	CLKNSMFCXOWYIW-IAGOWNOFSA-N	1	0	360.502	1.649	20	30		FDEDRO
CCOc1nccc(C)c1C(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1	ZINC001106469916	875516282	/nfs/dbraw/zinc/51/62/82/875516282.db2.gz	QIDPIKZQVQVMHB-IAGOWNOFSA-N	1	0	359.470	1.736	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(CCF)CC2)C[C@H]1C	ZINC001106468168	875531054	/nfs/dbraw/zinc/53/10/54/875531054.db2.gz	CPQDDMGPQZMYAN-HZPDHXFCSA-N	1	0	366.481	1.572	20	30		FDEDRO
COC[C@]1(C(=O)N2C[C@@H](C[NH2+]CC#Cc3ccccc3)[C@H](C)C2)CCOC1	ZINC001106487347	875630198	/nfs/dbraw/zinc/63/01/98/875630198.db2.gz	YKJVDDQEKROKJY-SYYKKAFVSA-N	1	0	370.493	1.775	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCC)[C@H](C)C1	ZINC001106486457	875640917	/nfs/dbraw/zinc/64/09/17/875640917.db2.gz	UAOMTIBXVZOHMW-HLIPFELVSA-N	1	0	367.534	1.816	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]CCN2CCCC2=O)[C@H](C)C1	ZINC001106486375	875641378	/nfs/dbraw/zinc/64/13/78/875641378.db2.gz	QNBWFFCCSMVUFQ-HLIPFELVSA-N	1	0	365.518	1.522	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3ccsc3[nH]2)C[C@H]1C	ZINC001106500304	875719505	/nfs/dbraw/zinc/71/95/05/875719505.db2.gz	YCPATTVBVYHPES-TZMCWYRMSA-N	1	0	360.483	1.829	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnc3onc(C)c3c2)C[C@H]1C	ZINC001106506562	875744350	/nfs/dbraw/zinc/74/43/50/875744350.db2.gz	MTSYZGCDFSAUTJ-CZUORRHYSA-N	1	0	356.426	1.479	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCN3CCCC3=O)[C@H](C)C2)cc1	ZINC001106511472	875770830	/nfs/dbraw/zinc/77/08/30/875770830.db2.gz	IXRRTUNQAUYPQW-VQIMIIECSA-N	1	0	353.466	1.588	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O	ZINC000762348363	875782014	/nfs/dbraw/zinc/78/20/14/875782014.db2.gz	QEJBNCYECCRUCC-CQSZACIVSA-N	1	0	364.243	1.284	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCOC(C)C)[C@H](C)C1	ZINC001106528959	875874140	/nfs/dbraw/zinc/87/41/40/875874140.db2.gz	KVVDCCPHEOGQBE-IAGOWNOFSA-N	1	0	367.534	1.814	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@]2(C)C=CCC2)C[C@H]1C	ZINC001106538806	875903900	/nfs/dbraw/zinc/90/39/00/875903900.db2.gz	WPIYGKMTWDSKOE-SPYBWZPUSA-N	1	0	362.474	1.039	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C/C=C(\C)C=C)C[C@H]1C	ZINC001106550840	875926846	/nfs/dbraw/zinc/92/68/46/875926846.db2.gz	SXTCBLUTTUJREM-DJYJQHBUSA-N	1	0	362.474	1.205	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NCCCOC)[C@H](C)C1	ZINC001106556081	875945870	/nfs/dbraw/zinc/94/58/70/875945870.db2.gz	FETLVXFAFITXER-FGTMMUONSA-N	1	0	365.518	1.405	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106569330	875982153	/nfs/dbraw/zinc/98/21/53/875982153.db2.gz	FSUWEZFRDISJJN-SFGWALBWSA-N	1	0	367.493	1.639	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NCC(C)C)[C@H](C)C1	ZINC001106612395	876198677	/nfs/dbraw/zinc/19/86/77/876198677.db2.gz	UVOKDTVOJMDDNK-HZPDHXFCSA-N	1	0	366.506	1.509	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COCC(F)(F)F)[C@H](C)C1	ZINC001106612297	876198754	/nfs/dbraw/zinc/19/87/54/876198754.db2.gz	SEVSHZMCEVWDQD-RBSFLKMASA-N	1	0	366.424	1.967	20	30		FDEDRO
Cc1cc(C)cc(CC(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)c1	ZINC001106616926	876228757	/nfs/dbraw/zinc/22/87/57/876228757.db2.gz	DNBGMRAPRZGNAF-SJLPKXTDSA-N	1	0	356.470	1.170	20	30		FDEDRO
COC(=O)c1cn([C@H]2CCC[N@H+](Cc3ccc(OCC#N)cc3)C2)nn1	ZINC000762626035	876260770	/nfs/dbraw/zinc/26/07/70/876260770.db2.gz	VKKYVZMFBOTSBR-HNNXBMFYSA-N	1	0	355.398	1.804	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2nncs2)[C@H](C)C1	ZINC001106629002	876275086	/nfs/dbraw/zinc/27/50/86/876275086.db2.gz	AFDYSHFKPZYFKZ-PBFPGSCMSA-N	1	0	365.503	1.763	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC2CC2)[C@H](C)C1	ZINC001106629264	876277808	/nfs/dbraw/zinc/27/78/08/876277808.db2.gz	IAACMQRQJJWTAE-PJIJBLCYSA-N	1	0	364.490	1.261	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21	ZINC000915431372	876307544	/nfs/dbraw/zinc/30/75/44/876307544.db2.gz	KBURENPDAKPOFZ-ROUUACIJSA-N	1	0	363.483	1.410	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@]3(C)C2)cc1	ZINC000993214493	876318323	/nfs/dbraw/zinc/31/83/23/876318323.db2.gz	FAVKVKRAGLOXQE-KNQAVFIVSA-N	1	0	365.477	1.684	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N[C@@H](C)CC)[C@H](C)C2)c1	ZINC001106650877	876390301	/nfs/dbraw/zinc/39/03/01/876390301.db2.gz	HZCBDVWHPUJGNW-RVKKMQEKSA-N	1	0	356.470	1.275	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2nccc3[nH]ccc32)C[C@H]1C	ZINC001106680679	876548895	/nfs/dbraw/zinc/54/88/95/876548895.db2.gz	CIIWKKNAASAQLF-RBSFLKMASA-N	1	0	369.469	1.551	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH]ccc32)C[C@H]1C	ZINC001106691002	876586029	/nfs/dbraw/zinc/58/60/29/876586029.db2.gz	WDTJEMNKZNAYMW-BZUAXINKSA-N	1	0	366.465	1.604	20	30		FDEDRO
CC[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1	ZINC001106691112	876586257	/nfs/dbraw/zinc/58/62/57/876586257.db2.gz	YQCJYVDNRUNVBF-ZMYBRWDISA-N	1	0	356.470	1.657	20	30		FDEDRO
CCOc1ccc(N2C[C@H](C(=O)NC3(C#N)CC[NH+](C)CC3)CC2=O)cc1	ZINC000917125758	883066454	/nfs/dbraw/zinc/06/64/54/883066454.db2.gz	BKPIQKBJHALHQF-OAHLLOKOSA-N	1	0	370.453	1.542	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@H](O)CN2CCCC2=O)[C@H](C)C1	ZINC001106711417	876901369	/nfs/dbraw/zinc/90/13/69/876901369.db2.gz	UFFTZLOBVHAFLT-ZACQAIPSSA-N	1	0	365.518	1.256	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)OCc2ccccc2)C[C@H]1C	ZINC001106708845	876918027	/nfs/dbraw/zinc/91/80/27/876918027.db2.gz	MILPUGQZMWJWKJ-ZHALLVOQSA-N	1	0	371.481	1.025	20	30		FDEDRO
CC[C@@H](OC1CCCC1)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106717552	876939862	/nfs/dbraw/zinc/93/98/62/876939862.db2.gz	FWYUMKDONZQABU-BFYDXBDKSA-N	1	0	364.490	1.048	20	30		FDEDRO
CC[C@@H](CC1CCCC1)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106726428	876993310	/nfs/dbraw/zinc/99/33/10/876993310.db2.gz	NJMSBSPDCVACOC-BPQIPLTHSA-N	1	0	362.518	1.917	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCn2ccnc2C(C)C)C[C@H]1C	ZINC001106726893	876999575	/nfs/dbraw/zinc/99/95/75/876999575.db2.gz	CEZFNKBWALYHCW-QZTJIDSGSA-N	1	0	360.502	1.731	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(N2CCNC2=O)CC1	ZINC000193690945	877150510	/nfs/dbraw/zinc/15/05/10/877150510.db2.gz	KLHZPGDBQGOPIR-SFHVURJKSA-N	1	0	359.470	1.644	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C3)cn1	ZINC001003863165	877384538	/nfs/dbraw/zinc/38/45/38/877384538.db2.gz	RSKFHZUWGUOTEO-YRXWBPOGSA-N	1	0	366.465	1.409	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)c3ccccc32)[C@H](OC)C1	ZINC001212416857	912233702	/nfs/dbraw/zinc/23/37/02/912233702.db2.gz	VBQXJRFAQOLWAV-KZNAEPCWSA-N	1	0	357.454	1.295	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCCCN2C(C)=O)C[C@H]1C	ZINC001106755828	877569625	/nfs/dbraw/zinc/56/96/25/877569625.db2.gz	BQNWTUOAXHCNLE-QRQLOZEOSA-N	1	0	363.502	1.111	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106766088	877663404	/nfs/dbraw/zinc/66/34/04/877663404.db2.gz	AREPSMGKOYQOAM-TZIWHRDSSA-N	1	0	369.509	1.445	20	30		FDEDRO
CC(C)CC1(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)CCCC1	ZINC001106773929	877723958	/nfs/dbraw/zinc/72/39/58/877723958.db2.gz	PAVFPYYRQIZLBR-IAGOWNOFSA-N	1	0	362.518	1.917	20	30		FDEDRO
C[C@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000272533475	877801622	/nfs/dbraw/zinc/80/16/22/877801622.db2.gz	KIOJVRXDCPXGKE-RHSMWYFYSA-N	1	0	357.458	1.693	20	30		FDEDRO
N#C[C@@]1(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC2CCC1CC2	ZINC000922350674	877834553	/nfs/dbraw/zinc/83/45/53/877834553.db2.gz	IVHPDDHLPFANRD-XSNSTOHYSA-N	1	0	374.529	1.619	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)C2CCC(NC(=O)c3c[nH]c(C#N)c3)CC2)CC[N@@H+]1C	ZINC001004105793	878043688	/nfs/dbraw/zinc/04/36/88/878043688.db2.gz	MKSWYSHALOGLDP-WGDNJCCTSA-N	1	0	371.485	1.726	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(C)nc3c2cnn3C)C[C@H]1C	ZINC001106803071	878050006	/nfs/dbraw/zinc/05/00/06/878050006.db2.gz	TVMYBPQOLCOYEP-GDBMZVCRSA-N	1	0	369.469	1.224	20	30		FDEDRO
C#CCN(C(=O)N[C@@H](c1nccn1C)C1CCOCC1)C1CC[NH+](C)CC1	ZINC000922404882	878071787	/nfs/dbraw/zinc/07/17/87/878071787.db2.gz	OXEPEGKMNBMLDQ-GOSISDBHSA-N	1	0	373.501	1.627	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@]3(C)C2)C1	ZINC000993436109	878173442	/nfs/dbraw/zinc/17/34/42/878173442.db2.gz	FJSDRBDUGUGSOG-PTSWNOGYSA-N	1	0	369.469	1.149	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@]3(C)C2)C1	ZINC000993438181	878197773	/nfs/dbraw/zinc/19/77/73/878197773.db2.gz	LUMGLQXHJNVRIT-DKICVRJWSA-N	1	0	369.469	1.149	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1)[NH+]1CCC(C)CC1	ZINC000194474698	878263286	/nfs/dbraw/zinc/26/32/86/878263286.db2.gz	GUDYZIZKVYGSHI-QGZVFWFLSA-N	1	0	370.501	1.905	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@@H]21)C1CC[NH+](C)CC1	ZINC000922504607	878401365	/nfs/dbraw/zinc/40/13/65/878401365.db2.gz	IVVFLMDZUONNME-NZSAHSFTSA-N	1	0	360.502	1.372	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(-c4nc[nH]n4)c3)[C@H]2C1	ZINC001083161328	912350457	/nfs/dbraw/zinc/35/04/57/912350457.db2.gz	XICGNKJMCDWPKG-ZWKOTPCHSA-N	1	0	367.453	1.963	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CC(=O)N(c2ccccc2F)C1)C1CC[NH+](C)CC1	ZINC000922561699	878538707	/nfs/dbraw/zinc/53/87/07/878538707.db2.gz	QHXKLLYXNIJLFS-HNNXBMFYSA-N	1	0	372.444	1.670	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)C1	ZINC001033084038	878827016	/nfs/dbraw/zinc/82/70/16/878827016.db2.gz	DSCWSKXZVLYMIB-ZTFGCOKTSA-N	1	0	354.454	1.506	20	30		FDEDRO
C#CCC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@@H]1C[C@H]1C1CCC1)CC2	ZINC001128053745	912396478	/nfs/dbraw/zinc/39/64/78/912396478.db2.gz	FXXYQLBOSYVGLE-IXDOHACOSA-N	1	0	355.486	1.648	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2	ZINC001004294258	878964531	/nfs/dbraw/zinc/96/45/31/878964531.db2.gz	NYGQTDGRCZJWKY-DZVNLGKHSA-N	1	0	373.497	1.454	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)c2cccc(C[NH+](C)C)c2)C1	ZINC000993845651	879889476	/nfs/dbraw/zinc/88/94/76/879889476.db2.gz	ZOBAYZNZVQQXQZ-OALUTQOASA-N	1	0	371.481	1.670	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)CCc3cncn3C)C[C@H]2OC)C1	ZINC000946632830	879919781	/nfs/dbraw/zinc/91/97/81/879919781.db2.gz	SYRDCYDEUWQMII-HZPDHXFCSA-N	1	0	360.458	1.051	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC000993881383	879955420	/nfs/dbraw/zinc/95/54/20/879955420.db2.gz	ZYKFQWQFMQQLAA-UNEWFSDZSA-N	1	0	357.458	1.195	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)[C@H]3CC3(C)C)[C@H](C)C2)CC1	ZINC000993903197	880015392	/nfs/dbraw/zinc/01/53/92/880015392.db2.gz	PXUQFPDDLZHJCK-KBAYOESNSA-N	1	0	359.514	1.588	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(F)CCCCC2)C[C@H]1C	ZINC001106835038	880030673	/nfs/dbraw/zinc/03/06/73/880030673.db2.gz	BZUOIOOGQAFFCN-OWCLPIDISA-N	1	0	351.466	1.481	20	30		FDEDRO
CCN(CC)C(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)c(OC)c2)CC1	ZINC000282285195	912566962	/nfs/dbraw/zinc/56/69/62/912566962.db2.gz	LILHLSLRQFINPK-UHFFFAOYSA-N	1	0	358.486	1.943	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[C@H](C)C1	ZINC000994040472	880505431	/nfs/dbraw/zinc/50/54/31/880505431.db2.gz	VDHGRGXVPLIJQP-IXDOHACOSA-N	1	0	358.486	1.450	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)C3CCCC3)C[C@H]2C)CC1	ZINC000994134640	880735370	/nfs/dbraw/zinc/73/53/70/880735370.db2.gz	FDOQCYQLDGRRFM-VQIMIIECSA-N	1	0	359.514	1.733	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1	ZINC000994136612	880896394	/nfs/dbraw/zinc/89/63/94/880896394.db2.gz	MXONPJODRJBEMS-IIDMSEBBSA-N	1	0	356.470	1.732	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)C3(C4CC4)CC3)C[C@H]2C)CC1	ZINC000994139615	880907508	/nfs/dbraw/zinc/90/75/08/880907508.db2.gz	LUJURZJHKXRWOA-SJLPKXTDSA-N	1	0	371.525	1.733	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC000994141701	880914732	/nfs/dbraw/zinc/91/47/32/880914732.db2.gz	YTRYNNKKEFJUFL-RKVPGOIHSA-N	1	0	371.485	1.585	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCC(=O)NCCCOC)C[C@H]1C	ZINC001106859207	881141908	/nfs/dbraw/zinc/14/19/08/881141908.db2.gz	YZCPSAUNXNVKGZ-FGTMMUONSA-N	1	0	367.534	1.958	20	30		FDEDRO
C#CC[C@@H](CO)NC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000916049798	881316625	/nfs/dbraw/zinc/31/66/25/881316625.db2.gz	IGXOENQHKJVDNA-HOCLYGCPSA-N	1	0	362.449	1.322	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2cc(C)nn2C)[C@@H](n2ccnn2)C1	ZINC001128758064	883235133	/nfs/dbraw/zinc/23/51/33/883235133.db2.gz	NEKJIFPXISLPKB-AEFFLSMTSA-N	1	0	371.489	1.722	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC2(CCOCC2)C1	ZINC001089942764	912703651	/nfs/dbraw/zinc/70/36/51/912703651.db2.gz	BMFXMCMPNDIPHX-GVDBMIGSSA-N	1	0	356.470	1.524	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C(=O)NC)nc2)C[C@H]1C	ZINC001106888839	883434226	/nfs/dbraw/zinc/43/42/26/883434226.db2.gz	XYDQVTLZJUXPPB-BXUZGUMPSA-N	1	0	350.850	1.491	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](CCCN2CCCC2=O)C1	ZINC001033960708	883566509	/nfs/dbraw/zinc/56/65/09/883566509.db2.gz	GMBKNDWMOIXNJR-KSZLIROESA-N	1	0	363.502	1.513	20	30		FDEDRO
C#CCN(C(=O)NCCOc1ccc(C(=O)OC)cc1)C1CC[NH+](C)CC1	ZINC000917598171	883577417	/nfs/dbraw/zinc/57/74/17/883577417.db2.gz	GHNGDKVELQVQDH-UHFFFAOYSA-N	1	0	373.453	1.591	20	30		FDEDRO
N#CCNC(=O)C[NH2+][C@@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1	ZINC000429240295	883749224	/nfs/dbraw/zinc/74/92/24/883749224.db2.gz	SSWGHHPJAPZQQQ-QFBILLFUSA-N	1	0	369.396	1.806	20	30		FDEDRO
N#CCNC(=O)C[NH2+][C@@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1	ZINC000429240294	883749688	/nfs/dbraw/zinc/74/96/88/883749688.db2.gz	SSWGHHPJAPZQQQ-LPHOPBHVSA-N	1	0	369.396	1.806	20	30		FDEDRO
N#Cc1cccc(C2(NC(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)CC2)c1	ZINC000497841320	883767056	/nfs/dbraw/zinc/76/70/56/883767056.db2.gz	FAWIOUOLKBXTPO-INIZCTEOSA-N	1	0	369.469	1.434	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ncnn2C(C)(C)C)C1	ZINC000999427137	912750844	/nfs/dbraw/zinc/75/08/44/912750844.db2.gz	GONRIIWZGUKFMC-FJBKBRRZSA-N	1	0	361.490	1.703	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnn(CC)c2)[C@@H](n2ccnn2)C1	ZINC001128834809	883805929	/nfs/dbraw/zinc/80/59/29/883805929.db2.gz	SAWMBTSSIYSMRN-OIISXLGYSA-N	1	0	357.462	1.505	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccc(C(=O)NC)cc2)C1	ZINC000999428356	912752423	/nfs/dbraw/zinc/75/24/23/912752423.db2.gz	QFJGKJQMXODCMP-GMNCBBECSA-N	1	0	371.481	1.716	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ncnn2CC(F)F)C1	ZINC000999427875	912752446	/nfs/dbraw/zinc/75/24/46/912752446.db2.gz	PLPGUPXFZUTQHP-PQAZSJQKSA-N	1	0	369.416	1.213	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1	ZINC000917822592	883817814	/nfs/dbraw/zinc/81/78/14/883817814.db2.gz	SJONIWOHQLLKBW-AWEZNQCLSA-N	1	0	359.455	1.673	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](CCCOCC)C[C@@H]1n1ccnn1	ZINC001128870869	883908745	/nfs/dbraw/zinc/90/87/45/883908745.db2.gz	ZYHJPHOSMHXDGN-SJORKVTESA-N	1	0	365.478	1.029	20	30		FDEDRO
C[NH+]1CCN(CC2CN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)C2)CC1	ZINC000917903316	883910134	/nfs/dbraw/zinc/91/01/34/883910134.db2.gz	KQJFSXSYZDANDN-UHFFFAOYSA-N	1	0	368.890	1.080	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2[nH]ncc2Br)C[C@H]1C(F)(F)F	ZINC001099322015	883979529	/nfs/dbraw/zinc/97/95/29/883979529.db2.gz	GVBJTABWULYRSM-VXNVDRBHSA-N	1	0	367.169	1.951	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2coc(C)n2)[C@@H](n2ccnn2)C1	ZINC001128925313	884137003	/nfs/dbraw/zinc/13/70/03/884137003.db2.gz	FRIXUUULSAFZJO-WBVHZDCISA-N	1	0	358.446	1.976	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@@H]1n1ccnn1	ZINC001128929319	884144740	/nfs/dbraw/zinc/14/47/40/884144740.db2.gz	GJDWJCBNLJNZIT-ZIFCJYIRSA-N	1	0	361.490	1.527	20	30		FDEDRO
C[NH+]1C[C@@]2(C)CN(S(=O)(=O)Cc3cc(C#N)ccc3F)C[C@]2(C)C1	ZINC000918359927	884367125	/nfs/dbraw/zinc/36/71/25/884367125.db2.gz	NCNDTNKGNHUGMY-IRXDYDNUSA-N	1	0	351.447	1.801	20	30		FDEDRO
N#CCc1cccc2c1CCN(S(=O)(=O)C[C@@]13CC[N@H+](C1)CCC3)C2	ZINC000918447216	884476558	/nfs/dbraw/zinc/47/65/58/884476558.db2.gz	DUELIJUQAPXAQV-IBGZPJMESA-N	1	0	359.495	1.926	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001128976390	884547649	/nfs/dbraw/zinc/54/76/49/884547649.db2.gz	SQGHQKWDCJCVQW-UHOSZYNNSA-N	1	0	367.453	1.421	20	30		FDEDRO
C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1	ZINC001005585821	884698810	/nfs/dbraw/zinc/69/88/10/884698810.db2.gz	CYXZMYQBCVKOPF-ZACQAIPSSA-N	1	0	355.438	1.616	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1C[N@@H+](CCc2ccccc2F)C[C@@H]1n1ccnn1	ZINC001128985820	884736011	/nfs/dbraw/zinc/73/60/11/884736011.db2.gz	VMRMLTRPTCYEBA-MOPGFXCFSA-N	1	0	367.428	1.415	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CCCN(c2ccccc2)C1=O)C1CC[NH+](C)CC1	ZINC000918775778	884928330	/nfs/dbraw/zinc/92/83/30/884928330.db2.gz	KOWHXKFDAAMVAX-IBGZPJMESA-N	1	0	368.481	1.921	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)CC1	ZINC001034739523	884935017	/nfs/dbraw/zinc/93/50/17/884935017.db2.gz	UXXQCQUBRFYHKY-ZKXLYKBJSA-N	1	0	363.502	1.604	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCN2CCCC2=O)CC1	ZINC001034755108	884970800	/nfs/dbraw/zinc/97/08/00/884970800.db2.gz	VPIPFEVKLYWDAI-DWRORGKVSA-N	1	0	363.502	1.607	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@H](OC)C3CCCC3)C[C@@H]2O)cn1	ZINC001083970851	912924065	/nfs/dbraw/zinc/92/40/65/912924065.db2.gz	KJBMBZYBWXROMC-QYZOEREBSA-N	1	0	357.454	1.043	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)C2(COC)CCCC2)[C@@H](n2ccnn2)C1	ZINC001129038280	885451598	/nfs/dbraw/zinc/45/15/98/885451598.db2.gz	WQLXQGHCSTWHJO-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2nc(CC)c[nH]2)[C@@H](n2ccnn2)C1	ZINC001129053395	885584108	/nfs/dbraw/zinc/58/41/08/885584108.db2.gz	YARYLIQNMJETPX-OIISXLGYSA-N	1	0	371.489	1.503	20	30		FDEDRO
COc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)C(C)(C)C#N)CC2)cc1	ZINC000919352845	885626168	/nfs/dbraw/zinc/62/61/68/885626168.db2.gz	UNVXKNAKLVYLEF-UHFFFAOYSA-N	1	0	373.453	1.822	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)c2c(C)n[nH]c2C)[C@@H](n2ccnn2)C1	ZINC001129079411	885687259	/nfs/dbraw/zinc/68/72/59/885687259.db2.gz	JFHYCMVBAOWVAI-XYPHTWIQSA-N	1	0	371.489	1.729	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2onc3c2CCCC3)[C@@H](n2ccnn2)C1	ZINC001129106262	885705733	/nfs/dbraw/zinc/70/57/33/885705733.db2.gz	GSNJWSQRUWBAQN-SJORKVTESA-N	1	0	370.457	1.766	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2n[nH]c3c2CCC3)[C@@H](n2ccnn2)C1	ZINC001129089205	885716742	/nfs/dbraw/zinc/71/67/42/885716742.db2.gz	FLAYMDBAKOSCIY-XYPHTWIQSA-N	1	0	369.473	1.500	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC[N@@H+](CC(=O)N(C)C)C2)CC1	ZINC001035185920	885734730	/nfs/dbraw/zinc/73/47/30/885734730.db2.gz	LZFZLXQLHBHRIQ-SJORKVTESA-N	1	0	363.502	1.370	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCCO[C@H]3CCOC3)[C@H](C)C2)cn1	ZINC001106894246	885739378	/nfs/dbraw/zinc/73/93/78/885739378.db2.gz	HHPXYWRTIWIOHM-POAQFYNOSA-N	1	0	371.481	1.556	20	30		FDEDRO
C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)CC2	ZINC001035198931	885739673	/nfs/dbraw/zinc/73/96/73/885739673.db2.gz	XCXVGAAYCNDLOB-KGLIPLIRSA-N	1	0	362.392	1.833	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)N(C)C(C)C)[C@H](C)C2)nc1	ZINC001106894416	885751870	/nfs/dbraw/zinc/75/18/70/885751870.db2.gz	KNWIUJXVHOYEBQ-JFIYKMOQSA-N	1	0	370.497	1.616	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2nccn2C)[C@@H](n2ccnn2)C1	ZINC001129122199	885766607	/nfs/dbraw/zinc/76/66/07/885766607.db2.gz	GRCJIFRIMWAYIY-ZACQAIPSSA-N	1	0	371.489	1.341	20	30		FDEDRO
C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)CC2	ZINC001035227984	885776720	/nfs/dbraw/zinc/77/67/20/885776720.db2.gz	CWRVECABVGLJAZ-CABCVRRESA-N	1	0	353.894	1.955	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)c2cnn(C)c2)[C@@H](n2ccnn2)C1	ZINC001129127461	885815276	/nfs/dbraw/zinc/81/52/76/885815276.db2.gz	DEGAVDSYAPWUIW-OIISXLGYSA-N	1	0	357.462	1.123	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)Cc2cncc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129128178	885823569	/nfs/dbraw/zinc/82/35/69/885823569.db2.gz	SWVHLRAOHCYPDX-MSOLQXFVSA-N	1	0	354.458	1.532	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cncc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129128466	885825781	/nfs/dbraw/zinc/82/57/81/885825781.db2.gz	XOUANOLBHLMOCI-QRQLOZEOSA-N	1	0	368.485	1.920	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)NC3CC3)[C@H](C)C2)cn1	ZINC001106896255	886011392	/nfs/dbraw/zinc/01/13/92/886011392.db2.gz	CJTIJZAKJLJSJX-IJEWVQPXSA-N	1	0	354.454	1.028	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1n1ccnn1	ZINC001129189606	886157500	/nfs/dbraw/zinc/15/75/00/886157500.db2.gz	SNMZWZXKBAAANV-NXHRZFHOSA-N	1	0	371.489	1.198	20	30		FDEDRO
CC(=O)N[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1)C(C)C	ZINC001106898403	886692651	/nfs/dbraw/zinc/69/26/51/886692651.db2.gz	FZOCCJLDAQPZGS-CDHQVMDDSA-N	1	0	370.497	1.903	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@H]2O)C1	ZINC001077554109	886709650	/nfs/dbraw/zinc/70/96/50/886709650.db2.gz	YOELXNUDNJSMCP-VAMGGRTRSA-N	1	0	370.497	1.342	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Oc2cccnc2)[C@@H](n2ccnn2)C1	ZINC001129252664	886864595	/nfs/dbraw/zinc/86/45/95/886864595.db2.gz	GLOZDCCJBAFWNP-NXHRZFHOSA-N	1	0	370.457	1.448	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C	ZINC001062240142	886997561	/nfs/dbraw/zinc/99/75/61/886997561.db2.gz	JGLSLIZRLCFENO-BDXSIMOUSA-N	1	0	365.518	1.805	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCCN1C(=O)CC[NH+](C)C	ZINC001062339352	887057527	/nfs/dbraw/zinc/05/75/27/887057527.db2.gz	ZCAFQMBUJOKKIE-RYRKJORJSA-N	1	0	351.491	1.417	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C)ncc2C#N)CC[N@@H+]1C	ZINC001062600820	887145033	/nfs/dbraw/zinc/14/50/33/887145033.db2.gz	GQIKMMSFWDUQFH-XLAORIBOSA-N	1	0	353.470	1.782	20	30		FDEDRO
C#CCCCNC(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000920755894	887227251	/nfs/dbraw/zinc/22/72/51/887227251.db2.gz	PTKRZACSNSTBOI-UHFFFAOYSA-N	1	0	352.479	1.688	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)NC[C@H]3CCC[C@H]([NH3+])C3)n2)c(F)c1	ZINC000415442249	887662403	/nfs/dbraw/zinc/66/24/03/887662403.db2.gz	FFLFKRUJVXATGB-KBPBESRZSA-N	1	0	356.405	2.522	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCC[C@H]([S@@](=O)CC)C1)C1CC[NH+](C)CC1	ZINC000921349674	887765948	/nfs/dbraw/zinc/76/59/48/887765948.db2.gz	BSPGRJSXFVHPMA-RLJZQAMKSA-N	1	0	353.532	1.805	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)Nc1cc(Br)cc2c1NC(=O)CO2	ZINC000923026437	887823305	/nfs/dbraw/zinc/82/33/05/887823305.db2.gz	XTXWOHOXFKZJCM-UHFFFAOYSA-N	1	0	354.204	1.836	20	30		FDEDRO
CO[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@H]1NC(=O)C#CC(C)(C)C	ZINC001212255936	887889217	/nfs/dbraw/zinc/88/92/17/887889217.db2.gz	RYCKCKRHDHKYBN-KZNAEPCWSA-N	1	0	350.503	1.793	20	30		FDEDRO
CC1(C)C[C@H](NC(=O)Nc2ccn(CCN3CCOCC3)n2)C(C)(C)O1	ZINC000329500508	888021302	/nfs/dbraw/zinc/02/13/02/888021302.db2.gz	YKSILPBNPYZWCG-AWEZNQCLSA-N	1	0	365.478	1.887	20	30		FDEDRO
C#CCCN1CCN(C(=O)CCn2cnc3sc(C)c(C)c3c2=O)CC1	ZINC000064442025	888119036	/nfs/dbraw/zinc/11/90/36/888119036.db2.gz	DGIAQDOXTPOTGN-UHFFFAOYSA-N	1	0	372.494	1.632	20	30		FDEDRO
C#CCCN1CCN(C(=O)CCc2c(C)nc3cc(C)nn3c2C)CC1	ZINC000064442559	888119067	/nfs/dbraw/zinc/11/90/67/888119067.db2.gz	DOHHUTDAYWKNDJ-UHFFFAOYSA-N	1	0	353.470	1.755	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000946864442	888142087	/nfs/dbraw/zinc/14/20/87/888142087.db2.gz	KPEQJVLTAWTADA-BZSNNMDCSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2ccnnc2)[C@@H](n2ccnn2)C1	ZINC001129280193	888189537	/nfs/dbraw/zinc/18/95/37/888189537.db2.gz	OFDHTUCGVCKRJA-SJORKVTESA-N	1	0	355.446	1.470	20	30		FDEDRO
CC1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(C#N)c[nH]2)CC1	ZINC000999712632	913237645	/nfs/dbraw/zinc/23/76/45/913237645.db2.gz	VNUGIUZNVQXFGT-RYRKJORJSA-N	1	0	369.469	1.480	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2noc(-c3cccc(F)c3)n2)CC1	ZINC000923225189	888474007	/nfs/dbraw/zinc/47/40/07/888474007.db2.gz	PNUZVBUCLDPIPY-UHFFFAOYSA-N	1	0	357.389	1.773	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2sccc2OC)C[C@H]1C	ZINC001106905800	888785565	/nfs/dbraw/zinc/78/55/65/888785565.db2.gz	IDQSYTVOOFTELV-MGPQQGTHSA-N	1	0	365.499	1.745	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)CN2CCO[C@H]([C@H](C)[NH3+])C2)c(OC)c1	ZINC000923297394	888796826	/nfs/dbraw/zinc/79/68/26/888796826.db2.gz	OSATUSBPZAGTOH-GMBSWORKSA-N	1	0	350.459	1.211	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCO[C@H]2c2ccnn2C)CC1	ZINC000923313014	888849709	/nfs/dbraw/zinc/84/97/09/888849709.db2.gz	AUFOUXCMWMNSKS-MAUKXSAKSA-N	1	0	359.474	1.285	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1	ZINC000938602123	888924241	/nfs/dbraw/zinc/92/42/41/888924241.db2.gz	JGUZQXRNIPPPMI-KSZLIROESA-N	1	0	363.502	1.369	20	30		FDEDRO
CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)Nc1nn(C(C)C)cc1C#N	ZINC000369515006	889241171	/nfs/dbraw/zinc/24/11/71/889241171.db2.gz	GHOUVEGZKJIUIY-HZPDHXFCSA-N	1	0	372.473	1.749	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1	ZINC000938781741	889298927	/nfs/dbraw/zinc/29/89/27/889298927.db2.gz	HGUPJGOLKRKGQG-SQNIBIBYSA-N	1	0	363.502	1.369	20	30		FDEDRO
C[N@@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C[C@@H]1CCOC1	ZINC000245890919	889311186	/nfs/dbraw/zinc/31/11/86/889311186.db2.gz	PUJJBIYOLILJAW-QFBILLFUSA-N	1	0	374.460	1.503	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)[C@@H](C)C1	ZINC000245947626	889351500	/nfs/dbraw/zinc/35/15/00/889351500.db2.gz	BQUASDJXLOBPEX-GBESFXJTSA-N	1	0	363.550	1.341	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O	ZINC000923487824	889415335	/nfs/dbraw/zinc/41/53/35/889415335.db2.gz	NYFARCBQUSXRKR-VDCDIQELSA-N	1	0	351.491	1.194	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)Cc1c[nH]cn1)C2	ZINC001112543844	889606673	/nfs/dbraw/zinc/60/66/73/889606673.db2.gz	ZCUOVQSUVIQIDE-UWVAXJGDSA-N	1	0	358.486	1.456	20	30		FDEDRO
C[C@@H]1CN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C[C@H](C)[N@H+]1C	ZINC000455105531	889637841	/nfs/dbraw/zinc/63/78/41/889637841.db2.gz	UDZBABBAMDTVFT-BETUJISGSA-N	1	0	356.405	2.439	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1cccc(Cl)c1	ZINC001127612922	889923254	/nfs/dbraw/zinc/92/32/54/889923254.db2.gz	HGTGNHGOGBRTBJ-CVEARBPZSA-N	1	0	365.861	1.966	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(OC)cc2)C[C@H]1C	ZINC001106912727	890151521	/nfs/dbraw/zinc/15/15/21/890151521.db2.gz	QVYBSLCLAQKAMB-BFYDXBDKSA-N	1	0	359.470	1.684	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc[nH]c2CCC)C1	ZINC000939223049	890245735	/nfs/dbraw/zinc/24/57/35/890245735.db2.gz	RJWDTQSBGKKDJY-LZQZEXGQSA-N	1	0	370.497	1.642	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1OC	ZINC001212340133	890398274	/nfs/dbraw/zinc/39/82/74/890398274.db2.gz	CLEFNHIABFATCO-IAGOWNOFSA-N	1	0	363.506	1.866	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1	ZINC000670892143	890466818	/nfs/dbraw/zinc/46/68/18/890466818.db2.gz	UVOHMPKJBJQHBN-INIZCTEOSA-N	1	0	373.501	1.311	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)c1occc1C[NH+](C)C	ZINC000939592819	890938319	/nfs/dbraw/zinc/93/83/19/890938319.db2.gz	FJUFTNUVDLBCTK-MLGOLLRUSA-N	1	0	369.425	1.431	20	30		FDEDRO
N#CCOc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)cc1	ZINC001031855455	891341273	/nfs/dbraw/zinc/34/12/73/891341273.db2.gz	HBFAPZNFFDZFPV-YSIASYRMSA-N	1	0	369.465	1.952	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1	ZINC001001891459	891572979	/nfs/dbraw/zinc/57/29/79/891572979.db2.gz	VHTVDLUOZMKIJV-SQNIBIBYSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=C(C)C[NH+]1CCC(Nc2ccc(C(C)=O)cc2S(N)(=O)=O)CC1	ZINC000672210101	892035420	/nfs/dbraw/zinc/03/54/20/892035420.db2.gz	UDWAJFSEXFOWOW-UHFFFAOYSA-N	1	0	351.472	1.989	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(COC)c(F)c2)C[C@H]1C	ZINC001106920832	892562356	/nfs/dbraw/zinc/56/23/56/892562356.db2.gz	KWVZCYNWVZVMOS-CRAIPNDOSA-N	1	0	362.445	1.920	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NCC=C)[C@H](C)C1	ZINC001106923016	892599682	/nfs/dbraw/zinc/59/96/82/892599682.db2.gz	XYUNAUFEFXSTPQ-FUHIMQAGSA-N	1	0	367.493	1.585	20	30		FDEDRO
N#CCc1ccc(CS(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)cc1	ZINC000921910366	892742074	/nfs/dbraw/zinc/74/20/74/892742074.db2.gz	BIWYYPVVNCEUCR-GOSISDBHSA-N	1	0	363.483	1.425	20	30		FDEDRO
N#Cc1cc(CS(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)cs1	ZINC000921911218	892797227	/nfs/dbraw/zinc/79/72/27/892797227.db2.gz	IRWHPUFOYCJVFF-AWEZNQCLSA-N	1	0	355.485	1.292	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnn(CC(C)C)c2C)C[C@H]1C	ZINC001106929423	893007877	/nfs/dbraw/zinc/00/78/77/893007877.db2.gz	JQQXRRYGORMEPO-SJLPKXTDSA-N	1	0	360.502	1.795	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccsc2C(F)F)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106932039	893024395	/nfs/dbraw/zinc/02/43/95/893024395.db2.gz	OPZHYZQRWCYKHZ-GHMZBOCLSA-N	1	0	370.425	1.623	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCC3)[C@H](C)C2)CCOCC1	ZINC001106932211	893024833	/nfs/dbraw/zinc/02/48/33/893024833.db2.gz	UEMKFMGBQSYXDK-IAGOWNOFSA-N	1	0	363.502	1.276	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+][C@@H]3CCCNC3=O)[C@H](C)C2)CCOCC1	ZINC001106931723	893068890	/nfs/dbraw/zinc/06/88/90/893068890.db2.gz	BLIRRAPVABHBQI-BRWVUGGUSA-N	1	0	363.502	1.322	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccc(Cl)cc2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106937780	893090424	/nfs/dbraw/zinc/09/04/24/893090424.db2.gz	DXVRYISFBJCDHL-UKRRQHHQSA-N	1	0	362.861	1.206	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1	ZINC001002525898	893143408	/nfs/dbraw/zinc/14/34/08/893143408.db2.gz	BNXLTUVRIVQPPW-KSZLIROESA-N	1	0	363.502	1.513	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1	ZINC000921954941	893415348	/nfs/dbraw/zinc/41/53/48/893415348.db2.gz	BBTAFLPJFNMECO-STQMWFEESA-N	1	0	351.451	1.139	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C(C)(C)C1	ZINC000941029573	893698998	/nfs/dbraw/zinc/69/89/98/893698998.db2.gz	XCNUVSQESLQYTL-GVDBMIGSSA-N	1	0	361.486	1.006	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000941088609	893833385	/nfs/dbraw/zinc/83/33/85/893833385.db2.gz	FWCNPEGKHFSPKQ-IXDOHACOSA-N	1	0	358.486	1.735	20	30		FDEDRO
CCn1cc(CC[N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)cn1	ZINC001084289113	913821336	/nfs/dbraw/zinc/82/13/36/913821336.db2.gz	QKYZIEPWUDBEKP-CRAIPNDOSA-N	1	0	352.442	1.492	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c[nH]cc2C)C3)CC1	ZINC001002782559	893939214	/nfs/dbraw/zinc/93/92/14/893939214.db2.gz	FJWMENOUYNRNMT-QRQLOZEOSA-N	1	0	368.481	1.530	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1	ZINC000941202775	894196913	/nfs/dbraw/zinc/19/69/13/894196913.db2.gz	RZOMSQMZPSRQFW-AOIWGVFYSA-N	1	0	363.502	1.370	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+]2CCCC2)C3)nc1	ZINC001002828232	894372926	/nfs/dbraw/zinc/37/29/26/894372926.db2.gz	QOYLASQSDVDKKR-NXHRZFHOSA-N	1	0	352.438	1.020	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(CC(=O)OC)cc1	ZINC000922023695	894430658	/nfs/dbraw/zinc/43/06/58/894430658.db2.gz	LSUPAIRTNIOMJR-UHFFFAOYSA-N	1	0	364.467	1.120	20	30		FDEDRO
C#CCN(C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1	ZINC000922024000	894434451	/nfs/dbraw/zinc/43/44/51/894434451.db2.gz	YZXXBISOSWUYBZ-UHFFFAOYSA-N	1	0	364.490	1.689	20	30		FDEDRO
C#CC[C@@H](CO)NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C	ZINC000922021123	894444740	/nfs/dbraw/zinc/44/47/40/894444740.db2.gz	LPDZNNDXSSDPKJ-LSDHHAIUSA-N	1	0	357.376	1.992	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cnccc1C(F)(F)F	ZINC000922022076	894480399	/nfs/dbraw/zinc/48/03/99/894480399.db2.gz	GSKFEPSFEWUHTI-UHFFFAOYSA-N	1	0	361.389	1.819	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c2c(nn1C)CCCC2	ZINC000922025489	894534961	/nfs/dbraw/zinc/53/49/61/894534961.db2.gz	MLMKYIXFFWVOSK-UHFFFAOYSA-N	1	0	350.488	1.017	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[N@H+](C)C[C@@H](O)COCCOC(C)C	ZINC000265807820	894729672	/nfs/dbraw/zinc/72/96/72/894729672.db2.gz	DTDUBSNOLVSLDC-QGZVFWFLSA-N	1	0	366.458	1.680	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(C2C[NH+](CC[C@@H](C)F)C2)CC1	ZINC000941412276	894934006	/nfs/dbraw/zinc/93/40/06/894934006.db2.gz	BLJZOHOWSTZRML-NXHRZFHOSA-N	1	0	353.482	1.544	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1	ZINC000941465956	895078977	/nfs/dbraw/zinc/07/89/77/895078977.db2.gz	XQNJXINCWSNAAL-KURKYZTESA-N	1	0	359.514	1.827	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1	ZINC000941791419	895768559	/nfs/dbraw/zinc/76/85/59/895768559.db2.gz	RALNWGGMRDDDLH-BZUAXINKSA-N	1	0	351.491	1.413	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc3c(c2)nnn3C)C1	ZINC001031986710	896137018	/nfs/dbraw/zinc/13/70/18/896137018.db2.gz	BAPNLWQTGMGYDY-QAPCUYQASA-N	1	0	355.442	1.107	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](C[C@H](O)c2ccc(CC)cc2)C1	ZINC001031986884	896151482	/nfs/dbraw/zinc/15/14/82/896151482.db2.gz	IPPQATUJBXAWIS-AABGKKOBSA-N	1	0	358.482	1.922	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](C[C@H](Cc2ccccc2)OC)C1	ZINC001031988232	896171063	/nfs/dbraw/zinc/17/10/63/896171063.db2.gz	QLIXNSCALVRFOY-ZCNNSNEGSA-N	1	0	358.482	1.883	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCO[C@H]3C=C)nn2)C1	ZINC000999987039	896518577	/nfs/dbraw/zinc/51/85/77/896518577.db2.gz	NBHGXCIUHYDZBZ-KSZLIROESA-N	1	0	359.474	1.698	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@]2(CC)CCNC2=O)[C@H](OC)C1	ZINC001212425984	896722595	/nfs/dbraw/zinc/72/25/95/896722595.db2.gz	NNIMTTHJEAZQFB-GPMSIDNRSA-N	1	0	353.507	1.689	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)NC(=O)CO3)[C@H](OC)C1	ZINC001212426263	896743753	/nfs/dbraw/zinc/74/37/53/896743753.db2.gz	UWCZJWWUPVPFOU-NVXWUHKLSA-N	1	0	359.426	1.413	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1	ZINC001067524821	896781427	/nfs/dbraw/zinc/78/14/27/896781427.db2.gz	QEPYMGCNLPLJKG-LNLFQRSKSA-N	1	0	365.518	1.616	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccccc2C)C[C@H]1C	ZINC001106969415	896912110	/nfs/dbraw/zinc/91/21/10/896912110.db2.gz	YJRHXMSZLOLXGE-ZIFCJYIRSA-N	1	0	355.482	1.360	20	30		FDEDRO
C=C(C)CC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@]34C[C@H]3COC4)C2)n1	ZINC001128106657	896960758	/nfs/dbraw/zinc/96/07/58/896960758.db2.gz	BIXXBAPBVLZXOI-MDKPJZGXSA-N	1	0	370.497	1.869	20	30		FDEDRO
C#CCN(C(=O)NCC1CN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1	ZINC000921697890	896985815	/nfs/dbraw/zinc/98/58/15/896985815.db2.gz	MQLUVPDZWRJZGB-UHFFFAOYSA-N	1	0	364.490	1.592	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(-n3cnnn3)c2)C[C@H]1C	ZINC001106970435	897156548	/nfs/dbraw/zinc/15/65/48/897156548.db2.gz	AZTIZZHJFGWQOC-NVXWUHKLSA-N	1	0	354.458	1.926	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C[C@@H](C)N1CC#N	ZINC000921706253	897227833	/nfs/dbraw/zinc/22/78/33/897227833.db2.gz	VWQQUYGPYOTRFI-HZPDHXFCSA-N	1	0	374.489	1.150	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COc2cccc(C)c2)C[C@H]1C	ZINC001106974681	897265913	/nfs/dbraw/zinc/26/59/13/897265913.db2.gz	UAEZWMABKABTSR-IAGOWNOFSA-N	1	0	359.470	1.360	20	30		FDEDRO
C#CC[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC2(CCOCC2)C1	ZINC001089957380	897272266	/nfs/dbraw/zinc/27/22/66/897272266.db2.gz	MGQFUNJEBKYMJD-FGTMMUONSA-N	1	0	356.470	1.144	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)COc2ccc(OC)cc2)C[C@H]1C	ZINC001106975294	897282124	/nfs/dbraw/zinc/28/21/24/897282124.db2.gz	LBERNZZGESCITD-IAGOWNOFSA-N	1	0	362.470	1.961	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@H]1C	ZINC001106979932	897387546	/nfs/dbraw/zinc/38/75/46/897387546.db2.gz	SJKMQWZEZYPWQR-HUUCEWRRSA-N	1	0	364.490	1.754	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnc3n[nH]c(C)c3c2)C[C@H]1C	ZINC001106984649	897539863	/nfs/dbraw/zinc/53/98/63/897539863.db2.gz	XIJNEROVHZTTJF-CZUORRHYSA-N	1	0	355.442	1.214	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21	ZINC001168662340	897631474	/nfs/dbraw/zinc/63/14/74/897631474.db2.gz	SPQQVISYODNWKM-VQTJNVASSA-N	1	0	363.461	1.789	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[NH+]1CCC(C)CC1	ZINC001078026469	897632625	/nfs/dbraw/zinc/63/26/25/897632625.db2.gz	MCWAMYZQCGHPQE-KSZLIROESA-N	1	0	365.518	1.711	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C(=O)NC)cc2)C1	ZINC001032047217	897786237	/nfs/dbraw/zinc/78/62/37/897786237.db2.gz	QZBZEFCCURHTFE-OALUTQOASA-N	1	0	371.481	1.575	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1C	ZINC001106991631	897977132	/nfs/dbraw/zinc/97/71/32/897977132.db2.gz	JXNNMSAOVKPKNT-BZUAXINKSA-N	1	0	359.536	1.333	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN2C(=O)C(C)C)C1	ZINC001078221005	898401377	/nfs/dbraw/zinc/40/13/77/898401377.db2.gz	CJASUKVNZRIQOD-BRWVUGGUSA-N	1	0	351.491	1.151	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCCCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000943310386	898679266	/nfs/dbraw/zinc/67/92/66/898679266.db2.gz	MDRUALWGOPRZKQ-SLFFLAALSA-N	1	0	371.525	1.875	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1	ZINC001078538558	898909889	/nfs/dbraw/zinc/90/98/89/898909889.db2.gz	YQSZEZHRIXUIHT-XKQJLSEDSA-N	1	0	356.426	1.550	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2ccc3ccccc32)C[C@H]1C	ZINC001107001339	899073308	/nfs/dbraw/zinc/07/33/08/899073308.db2.gz	OMBWEIPGPLCPCN-IEBWSBKVSA-N	1	0	353.466	1.975	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCN(C)C1=O	ZINC001107016971	899552522	/nfs/dbraw/zinc/55/25/22/899552522.db2.gz	JRGOJUHXNWSUKU-BHIYHBOVSA-N	1	0	353.466	1.343	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C)nc2C)C[C@H]1C	ZINC001107020281	899595522	/nfs/dbraw/zinc/59/55/22/899595522.db2.gz	HFTXAHVEDLNHIQ-XOKHGSTOSA-N	1	0	358.486	1.687	20	30		FDEDRO
CCS(=O)(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1	ZINC001107035776	899991857	/nfs/dbraw/zinc/99/18/57/899991857.db2.gz	ZJZABIRWVMILQT-RHSMWYFYSA-N	1	0	363.483	1.177	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C[NH2+]CCOCC=C)[C@H](C)C1	ZINC001107036178	899994883	/nfs/dbraw/zinc/99/48/83/899994883.db2.gz	GXEXLVKCDOYPEG-HZPDHXFCSA-N	1	0	366.506	1.137	20	30		FDEDRO
CC[C@@]1(C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)CCNC1=O	ZINC001084422378	914415969	/nfs/dbraw/zinc/41/59/69/914415969.db2.gz	WTDDYJGZJUASHN-DBXWQHBBSA-N	1	0	366.465	1.507	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c(C)nsc2C)C[C@H]1C	ZINC001107047895	900126171	/nfs/dbraw/zinc/12/61/71/900126171.db2.gz	GFQMDYZKKMTNAM-UXIGCNINSA-N	1	0	364.515	1.748	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C[C@H]1C	ZINC001107056885	900253469	/nfs/dbraw/zinc/25/34/69/900253469.db2.gz	AJDVMWYJGAANMU-YQPWEIMNSA-N	1	0	357.498	1.101	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)[C@H](C)C1	ZINC001107059165	900311866	/nfs/dbraw/zinc/31/18/66/900311866.db2.gz	VREYYXRRQGVDBI-HUUCEWRRSA-N	1	0	363.506	1.879	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H](CCCC)NC(N)=O)C[C@H]1C	ZINC001107074756	900526888	/nfs/dbraw/zinc/52/68/88/900526888.db2.gz	ISVGJUVISLSRAI-OAGGEKHMSA-N	1	0	354.495	1.100	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCOC(C)C)C[C@H]1C	ZINC001107080915	900605324	/nfs/dbraw/zinc/60/53/24/900605324.db2.gz	GGBFWSVIDNRIMA-IXDOHACOSA-N	1	0	353.507	1.566	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCN(CC(=O)Nc2ccccc2CC)CC1	ZINC000763946294	900856663	/nfs/dbraw/zinc/85/66/63/900856663.db2.gz	FXWSRDGAQXFIFQ-UHFFFAOYSA-N	1	0	358.486	1.450	20	30		FDEDRO
O=C(C#CC1CC1)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)CC1	ZINC000944933351	901063229	/nfs/dbraw/zinc/06/32/29/901063229.db2.gz	IWYGXJPHQFCDJF-HZPDHXFCSA-N	1	0	352.438	1.378	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(c3ccc(C#N)c(C)n3)CCO2)CC[N@@H+]1C	ZINC001063670634	901092111	/nfs/dbraw/zinc/09/21/11/901092111.db2.gz	NEYJXPYKVBWPBC-FGTMMUONSA-N	1	0	371.485	1.313	20	30		FDEDRO
C#Cc1ccc(C(=O)NCC2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC2)nc1	ZINC001063836685	901155929	/nfs/dbraw/zinc/15/59/29/901155929.db2.gz	WMFPAEPQEJFNNC-GDBMZVCRSA-N	1	0	354.454	1.172	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1(CNC(=O)C2(C[NH+](C)C)CC2)CCC1	ZINC001064254593	901268717	/nfs/dbraw/zinc/26/87/17/901268717.db2.gz	MRTPFWQAMWVSAP-CVEARBPZSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC/C=C/CC)C[C@@H]1n1ccnn1	ZINC001129312757	901276461	/nfs/dbraw/zinc/27/64/61/901276461.db2.gz	NPKGIPFQRWCNBS-YAVRGCAZSA-N	1	0	373.501	1.957	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CC[C@]2(C)CCC(=O)N2)C[C@H]1C	ZINC001107105031	901276531	/nfs/dbraw/zinc/27/65/31/901276531.db2.gz	BWYGZICJYZDVGR-MDZRGWNJSA-N	1	0	351.491	1.322	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(C2CC[NH+](CCc3ccccc3)CC2)C1=O	ZINC000348427898	901312943	/nfs/dbraw/zinc/31/29/43/901312943.db2.gz	ABEMBAHSCYPWRE-GOSISDBHSA-N	1	0	357.454	1.817	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(C[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)C1=O	ZINC000348493831	901318964	/nfs/dbraw/zinc/31/89/64/901318964.db2.gz	CKNXLHSXMQBAGQ-AEFFLSMTSA-N	1	0	372.469	1.320	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H]3CCN(C(=O)CC[N@@H+](C)CC)[C@@H]3C2)n1	ZINC001090333661	901724722	/nfs/dbraw/zinc/72/47/22/901724722.db2.gz	XBBXBQVUTIEFAT-GOEBONIOSA-N	1	0	356.474	1.290	20	30		FDEDRO
C[N@H+](CC(=O)N1CC[C@H]2CN(c3cnc(C#N)cn3)C[C@H]21)CC(C)(C)C	ZINC001090354615	901814053	/nfs/dbraw/zinc/81/40/53/901814053.db2.gz	BEERFVNELVXXMM-GOEBONIOSA-N	1	0	356.474	1.363	20	30		FDEDRO
C[NH+](C)CCC(=O)N1CC[C@H]2CN(c3nc(C#N)c(Cl)s3)C[C@H]21	ZINC001090354238	901821403	/nfs/dbraw/zinc/82/14/03/901821403.db2.gz	OKCIGIPNADOUCE-CMPLNLGQSA-N	1	0	353.879	1.657	20	30		FDEDRO
CC[C@H](C(=O)N1CC[C@H]2CN(c3nccnc3C#N)C[C@H]21)[NH+](CC)CC	ZINC001090355571	901826169	/nfs/dbraw/zinc/82/61/69/901826169.db2.gz	LVWBZQXWQOUYGV-USXIJHARSA-N	1	0	356.474	1.506	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000671385515	901885790	/nfs/dbraw/zinc/88/57/90/901885790.db2.gz	QHQGMYATCZURGF-IBGZPJMESA-N	1	0	373.497	1.676	20	30		FDEDRO
C[NH+]=C(NCc1cccc(N2CCCC2=O)c1)N[C@@H]1CCN(C2CC2)C1	ZINC000083166990	901916194	/nfs/dbraw/zinc/91/61/94/901916194.db2.gz	YSAZSQPYFOHAQA-MRXNPFEDSA-N	1	0	355.486	1.715	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cc[n+]([O-])cc2)C1	ZINC001079122830	901920505	/nfs/dbraw/zinc/92/05/05/901920505.db2.gz	WAIAOAPBKUCVIR-WOJBJXKFSA-N	1	0	365.433	1.031	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cc(CC)n[nH]2)C1	ZINC001079127485	901929476	/nfs/dbraw/zinc/92/94/76/901929476.db2.gz	SGSIZKRDVBKVKT-WOJBJXKFSA-N	1	0	366.465	1.683	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cc(C)ncn2)C1	ZINC001079132546	901947027	/nfs/dbraw/zinc/94/70/27/901947027.db2.gz	SSMCMDSEWRNISG-WOJBJXKFSA-N	1	0	364.449	1.496	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CO[C@@H]2CCOC2)CC[C@H]1c1ccc(F)cc1	ZINC001079152223	901986927	/nfs/dbraw/zinc/98/69/27/901986927.db2.gz	BFGIFSFLFNTJAB-CEXWTWQISA-N	1	0	360.429	1.539	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCO3)CC[C@H]1c1ccc(F)cc1	ZINC001079153394	901989813	/nfs/dbraw/zinc/98/98/13/901989813.db2.gz	DSKUYXQXJWSMBM-FUHWJXTLSA-N	1	0	368.412	1.636	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2[nH]c(=O)[nH]c2C)C1	ZINC001079136890	902007275	/nfs/dbraw/zinc/00/72/75/902007275.db2.gz	IRITWILDPQNPBY-IAGOWNOFSA-N	1	0	370.453	1.687	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CCc2ccnn2C)C1	ZINC001079174702	902056483	/nfs/dbraw/zinc/05/64/83/902056483.db2.gz	CPOUEPRCSCRFEN-MDASCCDHSA-N	1	0	369.444	1.846	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1c1cccc(F)c1)C(N)=O	ZINC001079180173	902065822	/nfs/dbraw/zinc/06/58/22/902065822.db2.gz	DPFXDWQLHYVMFZ-MZPVMMEZSA-N	1	0	369.400	1.097	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cn(CC)nn2)CC[C@H]1c1ccc(F)cc1	ZINC001079155542	902071606	/nfs/dbraw/zinc/07/16/06/902071606.db2.gz	FOOBKGWLJNQYPE-RBUKOAKNSA-N	1	0	369.444	1.587	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cn2ccc(C)n2)CC[C@H]1c1ccc(F)cc1	ZINC001079159301	902081945	/nfs/dbraw/zinc/08/19/45/902081945.db2.gz	VASNRQKCJUJXHM-RBUKOAKNSA-N	1	0	354.429	1.938	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCCCC[NH+]1CCN(C(C)=O)CC1	ZINC001079160990	902084885	/nfs/dbraw/zinc/08/48/85/902084885.db2.gz	RCOBKQLOZLVAAO-OALUTQOASA-N	1	0	365.518	1.808	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[NH+](CCCCCNC(=O)[C@]23C[C@H]2CCC3)CC1	ZINC001079163164	902089728	/nfs/dbraw/zinc/08/97/28/902089728.db2.gz	SYNHFPMSNVORJX-MBOZVWFJSA-N	1	0	360.502	1.767	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN(C)C2=O)C[C@H]1c1cccc(F)c1	ZINC001079207012	902112791	/nfs/dbraw/zinc/11/27/91/902112791.db2.gz	JMAVVLRRAKFVHF-GBESFXJTSA-N	1	0	371.456	1.601	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc3[nH]cnc3c2)C[C@H]1c1cccc(F)c1	ZINC001079185333	902128691	/nfs/dbraw/zinc/12/86/91/902128691.db2.gz	KKAWVTXPAFYXIP-FUHWJXTLSA-N	1	0	363.396	1.928	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC=C)C1	ZINC001079187483	902133452	/nfs/dbraw/zinc/13/34/52/902133452.db2.gz	IYYUOZZUUWLTOE-ZCNNSNEGSA-N	1	0	355.457	1.993	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1c1cccc(F)c1	ZINC001079190477	902146090	/nfs/dbraw/zinc/14/60/90/902146090.db2.gz	UPAJJYLGSNNTRC-HYVNUMGLSA-N	1	0	366.458	1.330	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1c1cccc(F)c1	ZINC001079196564	902160819	/nfs/dbraw/zinc/16/08/19/902160819.db2.gz	VHGFBHDMWCXIDK-SOUVJXGZSA-N	1	0	366.824	1.144	20	30		FDEDRO
COCC[NH+]1CCC2(CN(C(=O)c3cc(C#N)c[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079232915	902166949	/nfs/dbraw/zinc/16/69/49/902166949.db2.gz	FLVOPIZYKVEDAB-DOTOQJQBSA-N	1	0	358.442	1.086	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)C[C@H]3CCCCO3)[C@@H]3COC[C@@H]32)CC1	ZINC001079234343	902170343	/nfs/dbraw/zinc/17/03/43/902170343.db2.gz	HZRLLDCBLVRGQV-CEXWTWQISA-N	1	0	360.498	1.908	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cncc(F)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079234390	902171422	/nfs/dbraw/zinc/17/14/22/902171422.db2.gz	JUENILVOLQDTSV-ZWKOTPCHSA-N	1	0	357.429	1.797	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3cc(OC)no3)[C@@H]3COC[C@@H]32)CC1	ZINC001079237072	902179289	/nfs/dbraw/zinc/17/92/89/902179289.db2.gz	LYKJXTIMDFTXSN-LSDHHAIUSA-N	1	0	361.442	1.812	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cnc(N(C)C)cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079241918	902195280	/nfs/dbraw/zinc/19/52/80/902195280.db2.gz	JUZNOJNYTQHGQH-DOTOQJQBSA-N	1	0	371.485	1.282	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3cnn(C)c3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079221274	902221738	/nfs/dbraw/zinc/22/17/38/902221738.db2.gz	XMDMGOSPPZDXEB-ZWKOTPCHSA-N	1	0	358.486	1.858	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3snnc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079221712	902223158	/nfs/dbraw/zinc/22/31/58/902223158.db2.gz	IUVJDTDZADOVSJ-LSDHHAIUSA-N	1	0	360.483	1.423	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCc4cncn4C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079248027	902262815	/nfs/dbraw/zinc/26/28/15/902262815.db2.gz	CRZLAEICTCDYPI-YTQUADARSA-N	1	0	368.481	1.018	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)C[C@@H]3CCCOC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079273508	902266182	/nfs/dbraw/zinc/26/61/82/902266182.db2.gz	DCEGSGJPDCONLS-GBESFXJTSA-N	1	0	360.498	1.766	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cc(OC)n(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079251027	902269558	/nfs/dbraw/zinc/26/95/58/902269558.db2.gz	BAUBWNCRQHBPNJ-GOEBONIOSA-N	1	0	360.458	1.168	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3ccc(OC)nc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079251444	902273187	/nfs/dbraw/zinc/27/31/87/902273187.db2.gz	XPBVOQPDFPHSBR-ZWKOTPCHSA-N	1	0	369.465	1.667	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H]3COC[C@@H]32)CC1	ZINC001079252690	902274344	/nfs/dbraw/zinc/27/43/44/902274344.db2.gz	OEABOWTUFNRLFO-PHUPPTAPSA-N	1	0	370.493	1.373	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)Cc3ccc(OC)cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079258244	902291963	/nfs/dbraw/zinc/29/19/63/902291963.db2.gz	UOUIQHDFJHIFLB-RBUKOAKNSA-N	1	0	371.481	1.758	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ccnc(OCC)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079259582	902294862	/nfs/dbraw/zinc/29/48/62/902294862.db2.gz	HZLFFYAJQLFEQJ-ZWKOTPCHSA-N	1	0	369.465	1.667	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)Cn3ccc(C)cc3=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079263980	902308970	/nfs/dbraw/zinc/30/89/70/902308970.db2.gz	UVBNLVSPZKYWLH-ZWKOTPCHSA-N	1	0	371.481	1.282	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3ccc4nncn4c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079265605	902312193	/nfs/dbraw/zinc/31/21/93/902312193.db2.gz	RJKMAMKFSWQIKR-DLBZAZTESA-N	1	0	367.453	1.468	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3oc(CC)nc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079269179	902324668	/nfs/dbraw/zinc/32/46/68/902324668.db2.gz	KLWKUVIBQLAPQJ-JKSUJKDBSA-N	1	0	357.454	1.732	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)Cc3cncn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079270197	902327520	/nfs/dbraw/zinc/32/75/20/902327520.db2.gz	GVBPDPKSLRISIT-ZWKOTPCHSA-N	1	0	358.486	1.478	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3c4c(nn3C)CCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079270338	902328456	/nfs/dbraw/zinc/32/84/56/902328456.db2.gz	NMKNLPOYLHOUSA-FUHWJXTLSA-N	1	0	370.497	1.648	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC(=O)N3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079272804	902337536	/nfs/dbraw/zinc/33/75/36/902337536.db2.gz	YUKUNPYQGWMDCS-GVDBMIGSSA-N	1	0	361.486	1.123	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1c1ccccc1F	ZINC001079304002	902344776	/nfs/dbraw/zinc/34/47/76/902344776.db2.gz	LYWLJXRHIWANPA-GOEBONIOSA-N	1	0	356.401	1.303	20	30		FDEDRO
N#CCN[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1c1ccccc1F	ZINC001079302269	902351056	/nfs/dbraw/zinc/35/10/56/902351056.db2.gz	UZARQYPCIPDQJQ-FUHWJXTLSA-N	1	0	356.445	1.862	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CN(C(=O)Cn3ccnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079275236	902357780	/nfs/dbraw/zinc/35/77/80/902357780.db2.gz	KKSITCZWRSNTNW-ZWKOTPCHSA-N	1	0	358.486	1.789	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cnc(OCC)cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079275737	902359216	/nfs/dbraw/zinc/35/92/16/902359216.db2.gz	URCUKENTGDXYPC-DOTOQJQBSA-N	1	0	370.453	1.062	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)C3CC3)C[C@H]2c2ccccc2F)C1=O	ZINC001079277964	902365952	/nfs/dbraw/zinc/36/59/52/902365952.db2.gz	DDHFPNFHZZIPET-YTQUADARSA-N	1	0	371.456	1.907	20	30		FDEDRO
C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1c1ccccc1F	ZINC001079291704	902392122	/nfs/dbraw/zinc/39/21/22/902392122.db2.gz	HESKEKIGJJVPOW-PZPSRYQVSA-N	1	0	356.401	1.604	20	30		FDEDRO
C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1c1ccccc1F	ZINC001079292154	902393549	/nfs/dbraw/zinc/39/35/49/902393549.db2.gz	CSQQAEBZUXQFCT-HNJNHCNJSA-N	1	0	356.401	1.604	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]cn2)C[C@H]1c1ccccc1F	ZINC001079315835	902410411	/nfs/dbraw/zinc/41/04/11/902410411.db2.gz	HRDBFKFVWRSECI-DKSSEZFCSA-N	1	0	354.429	1.945	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1c1ccccc1F	ZINC001079320768	902422108	/nfs/dbraw/zinc/42/21/08/902422108.db2.gz	JGFUQOCUIKJOKE-WMLDXEAASA-N	1	0	356.401	1.303	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)C[C@H]1c1ccccc1F	ZINC001079322400	902426029	/nfs/dbraw/zinc/42/60/29/902426029.db2.gz	RKYURTRPFREELD-UAGQMJEPSA-N	1	0	366.458	1.473	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)C1CCOCC1	ZINC001079340887	902458751	/nfs/dbraw/zinc/45/87/51/902458751.db2.gz	AVBIYFWVMZZZAM-DNVCBOLYSA-N	1	0	357.454	1.952	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C3)nc1	ZINC000995912624	902684477	/nfs/dbraw/zinc/68/44/77/902684477.db2.gz	GOJNFXDBCQUWKF-UBDQQSCGSA-N	1	0	352.438	1.019	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C3)cn1	ZINC000995914662	902690020	/nfs/dbraw/zinc/69/00/20/902690020.db2.gz	ULJVIKINUPDPOR-OWSLCNJRSA-N	1	0	352.438	1.019	20	30		FDEDRO
COc1ccc(C#N)cc1CN1C[C@@H](C)[C@H](NC(=O)c2cccc(=O)[nH]2)C1	ZINC001079532750	902729871	/nfs/dbraw/zinc/72/98/71/902729871.db2.gz	LBULGIULKIWJII-CXAGYDPISA-N	1	0	366.421	1.918	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H]2COc3ccccc3O2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC001079537761	902734510	/nfs/dbraw/zinc/73/45/10/902734510.db2.gz	GTCDUSLRVNBIQI-FRFSOERESA-N	1	0	366.421	1.776	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CCOC2)C3)CC1	ZINC000995949864	902763973	/nfs/dbraw/zinc/76/39/73/902763973.db2.gz	QRJPBLJQWRKGLT-NQYYFHDYSA-N	1	0	373.497	1.006	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC001079543415	902777044	/nfs/dbraw/zinc/77/70/44/902777044.db2.gz	ADMAAXPMTVNUSH-LSBZLQRGSA-N	1	0	352.438	1.540	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC2CCC2)C3)CC1	ZINC000995982959	902819368	/nfs/dbraw/zinc/81/93/68/902819368.db2.gz	JLBKKSSSCXVHJK-QYZOEREBSA-N	1	0	357.498	1.770	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ocnc2C)C3)CC1	ZINC000995992344	902858721	/nfs/dbraw/zinc/85/87/21/902858721.db2.gz	JVRVVWLXGKBIMZ-IKGGRYGDSA-N	1	0	370.453	1.190	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C=C2CCC2)C3)CC1	ZINC000996059708	902998580	/nfs/dbraw/zinc/99/85/80/902998580.db2.gz	MSNQICODNLIPEI-QYZOEREBSA-N	1	0	355.482	1.690	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(C#N)c1)C2)[NH+](C)C	ZINC000996121305	903148324	/nfs/dbraw/zinc/14/83/24/903148324.db2.gz	STTHISVAVDJPDV-QZWWFDLISA-N	1	0	357.458	1.334	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c[nH]c(C#N)c2)C3)CC[N@@H+]1C	ZINC000996124265	903156072	/nfs/dbraw/zinc/15/60/72/903156072.db2.gz	ZDZVOUUVKUEYSE-JQJKNKOQSA-N	1	0	369.469	1.478	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N[C@@H](c1nccn1C)c1cc(OC)cc(OC)c1	ZINC000764055005	903231008	/nfs/dbraw/zinc/23/10/08/903231008.db2.gz	HESGYDHWVMLJCY-QGZVFWFLSA-N	1	0	358.442	1.761	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1C	ZINC001079855893	903523079	/nfs/dbraw/zinc/52/30/79/903523079.db2.gz	XDQMXYBYMKNSAT-BRWVUGGUSA-N	1	0	358.486	1.641	20	30		FDEDRO
CC1(C)CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC000996306718	903661171	/nfs/dbraw/zinc/66/11/71/903661171.db2.gz	XXRNYSKVAYLXOW-IKGGRYGDSA-N	1	0	370.453	1.037	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCn2cc(Cl)cn2)C(C)(C)C1	ZINC000996329587	903705952	/nfs/dbraw/zinc/70/59/52/903705952.db2.gz	HLFSWFQNZVZMOJ-OWCLPIDISA-N	1	0	366.893	1.954	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(C#N)[nH]1	ZINC000996404137	903862300	/nfs/dbraw/zinc/86/23/00/903862300.db2.gz	UWFQUIUBTOHWRX-LAVFITLUSA-N	1	0	369.469	1.621	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@@]3(CNC(=O)CCCOC)CCC[C@@H]23)C1=O	ZINC001107299860	904354187	/nfs/dbraw/zinc/35/41/87/904354187.db2.gz	LLNUIDUSTPLOTB-SQGPQFPESA-N	1	0	363.502	1.561	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCC(C)CC1)CC2	ZINC001107329264	904492738	/nfs/dbraw/zinc/49/27/38/904492738.db2.gz	NXWUFEIBVMRISZ-MBOZVWFJSA-N	1	0	360.502	1.765	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H](O)COCC(C)C)CC2	ZINC001107329330	904493055	/nfs/dbraw/zinc/49/30/55/904493055.db2.gz	QMWDGJACHBNXTD-NLWGTHIKSA-N	1	0	368.518	1.583	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)COCCCC)CCC[C@@H]12	ZINC001107343155	904502008	/nfs/dbraw/zinc/50/20/08/904502008.db2.gz	NJKMLFJBNNBZRI-VQIMIIECSA-N	1	0	351.491	1.466	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCCCn1cncn1)CC2	ZINC001107336626	904506104	/nfs/dbraw/zinc/50/61/04/904506104.db2.gz	OLMCFOJIDFUYEC-YQVWRLOYSA-N	1	0	358.490	1.969	20	30		FDEDRO
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CC(C)N(C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH]c(C#N)c3)CCC[C@@H]12	ZINC001107366371	904570633	/nfs/dbraw/zinc/57/06/33/904570633.db2.gz	ALCDQRWASLGLLU-YLJYHZDGSA-N	1	0	371.485	1.728	20	30		FDEDRO
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CC(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC1CCC1)CC2	ZINC001107393022	904693645	/nfs/dbraw/zinc/69/36/45/904693645.db2.gz	DGAQXJIGDGEXAS-WIYYLYMNSA-N	1	0	359.514	1.923	20	30		FDEDRO
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COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnn4ncccc34)CCC[C@@H]12	ZINC001107437039	904907553	/nfs/dbraw/zinc/90/75/53/904907553.db2.gz	ZHRNZBVYNZUJPU-UYAOXDASSA-N	1	0	367.453	1.354	20	30		FDEDRO
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COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)cc1C#N	ZINC001080292411	905143269	/nfs/dbraw/zinc/14/32/69/905143269.db2.gz	SDKXHSCBKGWZFD-ZIIYPAMZSA-N	1	0	355.438	1.396	20	30		FDEDRO
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C#CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3C[C@H]3c3ccncc3)CC2)CC1	ZINC000996775985	905349516	/nfs/dbraw/zinc/34/95/16/905349516.db2.gz	KLQNVOYKLTUXQY-NSKBAKJYSA-N	1	0	366.509	1.863	20	30		FDEDRO
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CC#CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)CC1	ZINC000996788545	905524298	/nfs/dbraw/zinc/52/42/98/905524298.db2.gz	YPLYNIPPNSYSQY-TVWAUZDGSA-N	1	0	371.525	1.478	20	30		FDEDRO
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C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCC[C@H]3CCOC3)C[C@H]2OC)cc1	ZINC001082012907	905556421	/nfs/dbraw/zinc/55/64/21/905556421.db2.gz	OWZPXMMXTOKJHT-DFQSSKMNSA-N	1	0	356.466	1.914	20	30		FDEDRO
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COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C4CC4)n[nH]3)CCC[C@@H]12	ZINC001107558315	905590300	/nfs/dbraw/zinc/59/03/00/905590300.db2.gz	STPVFVUROWKILU-UYAOXDASSA-N	1	0	356.470	1.911	20	30		FDEDRO
Cc1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)c(C)[nH]1	ZINC001107560380	905628707	/nfs/dbraw/zinc/62/87/07/905628707.db2.gz	KVMCGMHLDOBPOP-VQIMIIECSA-N	1	0	357.458	1.246	20	30		FDEDRO
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COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3C(C)=O)CCC[C@@H]12	ZINC001107613585	905951758	/nfs/dbraw/zinc/95/17/58/905951758.db2.gz	YZNMRALJNDMNBY-NLWGTHIKSA-N	1	0	361.486	1.008	20	30		FDEDRO
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C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]2C)cn1	ZINC001080809415	906313487	/nfs/dbraw/zinc/31/34/87/906313487.db2.gz	QJOUXNPJOSYESB-IIDMSEBBSA-N	1	0	354.454	1.029	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)CCC[NH+](C)C	ZINC001082258690	906501467	/nfs/dbraw/zinc/50/14/67/906501467.db2.gz	CANRPQWSGPNQNL-KSZLIROESA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C2	ZINC001112538997	906506748	/nfs/dbraw/zinc/50/67/48/906506748.db2.gz	FQZJIYXEPDYACS-BBRMVZONSA-N	1	0	362.923	1.780	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC	ZINC001082291837	906540659	/nfs/dbraw/zinc/54/06/59/906540659.db2.gz	MUGVIGUMGSSXRO-KSZLIROESA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001080877949	906569134	/nfs/dbraw/zinc/56/91/34/906569134.db2.gz	UHRDPKMEJRTATM-HZPDHXFCSA-N	1	0	365.518	1.399	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCS(=O)(=O)C1)C2	ZINC001112539252	906869733	/nfs/dbraw/zinc/86/97/33/906869733.db2.gz	RIMWTKYWNBSHNN-AOIWGVFYSA-N	1	0	368.543	1.996	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cnc(OCC3CC3)cn2)[C@H](OC)C1	ZINC001082323163	906876260	/nfs/dbraw/zinc/87/62/60/906876260.db2.gz	GSWDVVGXDQIAMA-IAGOWNOFSA-N	1	0	360.458	1.661	20	30		FDEDRO
C=CCOCC(=O)N1CCC(CN(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001081062590	907065691	/nfs/dbraw/zinc/06/56/91/907065691.db2.gz	DWCCUBNYRRGORH-SJLPKXTDSA-N	1	0	365.518	1.616	20	30		FDEDRO
CCn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1c1ccccc1	ZINC001081098740	907164227	/nfs/dbraw/zinc/16/42/27/907164227.db2.gz	KIRNFFIFUSDTKR-JCGIZDLHSA-N	1	0	352.442	1.542	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C(=O)CC)C[C@H]1c1ccccc1	ZINC001081120449	907176289	/nfs/dbraw/zinc/17/62/89/907176289.db2.gz	APEZWEKJRGJXJR-ZCNNSNEGSA-N	1	0	367.493	1.995	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([NH2+][C@H](C)c2nnnn2C)CC1	ZINC000997082987	907210830	/nfs/dbraw/zinc/21/08/30/907210830.db2.gz	FVQXZYGGXRWOKJ-KBMXLJTQSA-N	1	0	362.478	1.223	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3c(n2)OCCO3)C[C@H]1c1ccccc1	ZINC001081140121	907246068	/nfs/dbraw/zinc/24/60/68/907246068.db2.gz	JDKQVFHPJLWGDA-FUHWJXTLSA-N	1	0	363.417	1.684	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)[C@H](OC)C1	ZINC001082364816	907254167	/nfs/dbraw/zinc/25/41/67/907254167.db2.gz	VNDZQSMTIPKUIJ-KBAYOESNSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccn(CCOC)n2)C[C@H]1c1ccccc1	ZINC001081143315	907255531	/nfs/dbraw/zinc/25/55/31/907255531.db2.gz	WVXIGLIJTOGERV-PKOBYXMFSA-N	1	0	354.454	1.913	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cncc(OC)n2)CC1	ZINC000997086569	907264823	/nfs/dbraw/zinc/26/48/23/907264823.db2.gz	ZYAKBHKEKWBQTF-WMZOPIPTSA-N	1	0	360.458	1.547	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CCOC2)C[C@H]1c1ccccc1	ZINC001081151734	907266336	/nfs/dbraw/zinc/26/63/36/907266336.db2.gz	RIWOCXGZUGOOBM-NZSAHSFTSA-N	1	0	364.449	1.745	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1c1ccccc1	ZINC001081168231	907289562	/nfs/dbraw/zinc/28/95/62/907289562.db2.gz	NCYXPAFQYQUOBK-GVDBMIGSSA-N	1	0	361.873	1.944	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3nnn(C)c3C2)C[C@H]1c1ccccc1	ZINC001081168287	907289996	/nfs/dbraw/zinc/28/99/96/907289996.db2.gz	QEVWJXMGOMFLQK-JENIJYKNSA-N	1	0	363.465	1.137	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCN(C(C)=O)C2)C[C@H]1c1ccccc1	ZINC001081211498	907317980	/nfs/dbraw/zinc/31/79/80/907317980.db2.gz	ZKDIYKXMPVLGCA-QKNQBKEWSA-N	1	0	353.466	1.462	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)C[C@H]1c1ccccc1	ZINC001081222345	907336206	/nfs/dbraw/zinc/33/62/06/907336206.db2.gz	ZBFZXPIGXQEYGA-GVDBMIGSSA-N	1	0	370.453	1.135	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1c1ccccc1	ZINC001081179734	907352075	/nfs/dbraw/zinc/35/20/75/907352075.db2.gz	HSMUGOBFIWEIBE-ZSYWTGECSA-N	1	0	371.481	1.392	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]C[C@H](C)O)C2)nn1	ZINC001081195836	907376126	/nfs/dbraw/zinc/37/61/26/907376126.db2.gz	WXSZCHLGZXGSOM-RYQLBKOJSA-N	1	0	369.469	1.433	20	30		FDEDRO
C[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082418350	907580574	/nfs/dbraw/zinc/58/05/74/907580574.db2.gz	ABCFWSKKBORBNH-CXAGYDPISA-N	1	0	358.417	1.256	20	30		FDEDRO
C[C@@H](CN1CCOCC1)[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000921544303	907723464	/nfs/dbraw/zinc/72/34/64/907723464.db2.gz	JELMYTLVTYCCLV-INIZCTEOSA-N	1	0	354.458	1.669	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(-c3ccccc3)n2C)C1	ZINC001082451095	907730013	/nfs/dbraw/zinc/73/00/13/907730013.db2.gz	PMMPVUOEVKZLLO-SQWLQELKSA-N	1	0	352.442	1.578	20	30		FDEDRO
Cc1c(-c2cc(C[NH2+][C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C)on2)cnn1C	ZINC001082450853	907730136	/nfs/dbraw/zinc/73/01/36/907730136.db2.gz	JNEJYFZMYNQPCA-XWCIJXRUSA-N	1	0	356.430	1.480	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2cc(C)n[nH]2)C[C@H]1C	ZINC001082436940	907756842	/nfs/dbraw/zinc/75/68/42/907756842.db2.gz	FBQKMCQSODVRGX-SJKOYZFVSA-N	1	0	353.426	1.849	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCCOC3)C[C@H]2C)cc1C#N	ZINC001082443011	907787006	/nfs/dbraw/zinc/78/70/06/907787006.db2.gz	KADYUTQOZZPJBC-UWWQBHOKSA-N	1	0	357.454	1.930	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082446375	907803422	/nfs/dbraw/zinc/80/34/22/907803422.db2.gz	BSNHKDAIWTXVJR-FZKQIMNGSA-N	1	0	355.417	1.610	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csc(-c3cnn(C)c3)n2)C1	ZINC001082448472	907813795	/nfs/dbraw/zinc/81/37/95/907813795.db2.gz	RJAKBBHQFFNTNN-LALPHHSUSA-N	1	0	358.471	1.640	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccc(F)c(C#N)c2)CC[N@@H+]1C	ZINC001032410664	907889414	/nfs/dbraw/zinc/88/94/14/907889414.db2.gz	OGMAGZJCLBQAES-XFKAJCMBSA-N	1	0	356.445	1.823	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1[NH2+]CC(=O)N1CCC[C@H](C)C1	ZINC001082464303	907896395	/nfs/dbraw/zinc/89/63/95/907896395.db2.gz	JJACAPBBHBSZNS-JJRVBVJISA-N	1	0	357.458	1.195	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1[NH2+]C[C@H](O)c1ccc(F)cc1	ZINC001082464904	907900278	/nfs/dbraw/zinc/90/02/78/907900278.db2.gz	QCNJJDJOHXPABS-PJSAGSTRSA-N	1	0	356.401	1.809	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1[NH2+]CC(=O)N1CCCCCCC1	ZINC001082483812	907907846	/nfs/dbraw/zinc/90/78/46/907907846.db2.gz	LVHIDDGZUORQEZ-CRAIPNDOSA-N	1	0	371.485	1.729	20	30		FDEDRO
Cc1cc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)[nH]n1	ZINC001082470907	907914721	/nfs/dbraw/zinc/91/47/21/907914721.db2.gz	NKUCDMASIYTFJX-KZULUSFZSA-N	1	0	355.417	1.908	20	30		FDEDRO
COc1coc(C[NH2+][C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)cc1=O	ZINC001082482146	907957778	/nfs/dbraw/zinc/95/77/78/907957778.db2.gz	WOYYLAWDDAWIHC-IAQYHMDHSA-N	1	0	356.382	1.098	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1C	ZINC001082485953	907976678	/nfs/dbraw/zinc/97/66/78/907976678.db2.gz	MUUNSCKZOLKSAE-MLGOLLRUSA-N	1	0	368.441	1.133	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082490805	907999397	/nfs/dbraw/zinc/99/93/97/907999397.db2.gz	FJZIIBRWUDPFOU-FZKQIMNGSA-N	1	0	355.417	1.610	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3ccnn3C)C[C@H]2C)cc1C#N	ZINC001082490910	908000320	/nfs/dbraw/zinc/00/03/20/908000320.db2.gz	PTZOIVQIQNJZMZ-RDTXWAMCSA-N	1	0	367.453	1.480	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cncnc2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082491675	908006983	/nfs/dbraw/zinc/00/69/83/908006983.db2.gz	CGEDJCZOJZYLRL-FZKQIMNGSA-N	1	0	353.401	1.667	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C)C(=O)N1CCc2ccccc21	ZINC001082502805	908098490	/nfs/dbraw/zinc/09/84/90/908098490.db2.gz	LMGMBCPOICDEJM-JTDSTZFVSA-N	1	0	365.477	1.814	20	30		FDEDRO
Cc1c[nH]nc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1	ZINC001082504319	908113854	/nfs/dbraw/zinc/11/38/54/908113854.db2.gz	IDCSHDSENBQIMG-RHSMWYFYSA-N	1	0	353.426	1.871	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ncoc2C)CC1	ZINC000997356660	908311431	/nfs/dbraw/zinc/31/14/31/908311431.db2.gz	FDRJGILUNOOZLH-IKGGRYGDSA-N	1	0	370.453	1.190	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)/C=C\C2CC2)CC1	ZINC000997358253	908314816	/nfs/dbraw/zinc/31/48/16/908314816.db2.gz	XFNLOXJPPZCUKO-NZGJBRLESA-N	1	0	355.482	1.546	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C)SC)CC1	ZINC000997357868	908326090	/nfs/dbraw/zinc/32/60/90/908326090.db2.gz	RHRCYKGNFNPJTO-ORQFMDKSSA-N	1	0	363.527	1.331	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cnc(C)nc2OC)C[C@H]1C	ZINC001082548608	908478791	/nfs/dbraw/zinc/47/87/91/908478791.db2.gz	SQGXTHIPHUPVHA-NOZJJQNGSA-N	1	0	369.263	1.752	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2c[nH]cn2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082549503	908487294	/nfs/dbraw/zinc/48/72/94/908487294.db2.gz	DROFDHQZAZKAGB-FZKQIMNGSA-N	1	0	355.417	1.990	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C1	ZINC001082560577	908622148	/nfs/dbraw/zinc/62/21/48/908622148.db2.gz	FKKXYCVGUBMIJB-BPQIPLTHSA-N	1	0	370.497	1.878	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001082567841	908704585	/nfs/dbraw/zinc/70/45/85/908704585.db2.gz	FXMCJQWJERMVTK-AHRSYUTCSA-N	1	0	350.466	1.592	20	30		FDEDRO
CC[C@]1(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)CCNC1=O	ZINC001082570923	908734269	/nfs/dbraw/zinc/73/42/69/908734269.db2.gz	HJTRIECPINRXNT-ZTQAJYAQSA-N	1	0	354.454	1.411	20	30		FDEDRO
Cc1ncn(C)c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1	ZINC001082575793	908740012	/nfs/dbraw/zinc/74/00/12/908740012.db2.gz	AYAXJVPRIQQNOS-SJKOYZFVSA-N	1	0	355.417	1.990	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082578829	908765072	/nfs/dbraw/zinc/76/50/72/908765072.db2.gz	OKPMAKXPTAPZJZ-BDJLRTHQSA-N	1	0	355.373	1.443	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc4c[nH]ccc-4n3)C[C@H]2C)C1=O	ZINC001082594788	908862171	/nfs/dbraw/zinc/86/21/71/908862171.db2.gz	KNSHDDOTTWBVIL-RPVQJOFSSA-N	1	0	367.453	1.400	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn3c(n2)COCC3)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082594169	908879837	/nfs/dbraw/zinc/87/98/37/908879837.db2.gz	FZAOVASLGJHHEE-RHSMWYFYSA-N	1	0	365.437	1.535	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2c(C)cc(C)cc2C)C[C@@H]1O	ZINC001083789792	909032159	/nfs/dbraw/zinc/03/21/59/909032159.db2.gz	XBCJCEUIJVDIBK-LMCOJAPRSA-N	1	0	358.482	1.864	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1CN(CCc2ccns2)C[C@H]1OC)OCC	ZINC001212354594	909067711	/nfs/dbraw/zinc/06/77/11/909067711.db2.gz	CLCMSVJILSZIJJ-BRWVUGGUSA-N	1	0	367.515	1.872	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cncc4[nH]ccc43)C[C@H]2C)C1=O	ZINC001082618855	909091200	/nfs/dbraw/zinc/09/12/00/909091200.db2.gz	MKPAFFWLMIIUHX-RPVQJOFSSA-N	1	0	367.453	1.400	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C(N)=O)cn2C)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082621476	909130108	/nfs/dbraw/zinc/13/01/08/909130108.db2.gz	UILBGZCJUBOWTP-CXAGYDPISA-N	1	0	365.437	1.246	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1O	ZINC001077811640	909150768	/nfs/dbraw/zinc/15/07/68/909150768.db2.gz	BQPVETVJHQUIAO-MLHJIOFPSA-N	1	0	364.511	1.823	20	30		FDEDRO
CCn1cc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3F)C2)nn1	ZINC001082657719	909420648	/nfs/dbraw/zinc/42/06/48/909420648.db2.gz	OLTNOKJYAQTPBU-FZKQIMNGSA-N	1	0	370.432	1.488	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cn(-c3cccnc3)nn2)[C@H](OC)C1	ZINC001212377534	909504226	/nfs/dbraw/zinc/50/42/26/909504226.db2.gz	QMOSWJALRPEAAS-NVXWUHKLSA-N	1	0	356.430	1.058	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2C)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082680295	909504323	/nfs/dbraw/zinc/50/43/23/909504323.db2.gz	AIDUSMHRHAZLNQ-DVOMOZLQSA-N	1	0	360.483	1.567	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn3cccnc23)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082678371	909560393	/nfs/dbraw/zinc/56/03/93/909560393.db2.gz	REBMCEZPKZIKBS-RDTXWAMCSA-N	1	0	360.421	1.851	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)C1	ZINC001082686073	909573756	/nfs/dbraw/zinc/57/37/56/909573756.db2.gz	UFAOKSLHDCGFFA-FVQBIDKESA-N	1	0	359.474	1.174	20	30		FDEDRO
C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1	ZINC000997751132	909606662	/nfs/dbraw/zinc/60/66/62/909606662.db2.gz	VPJQASNNSPPSQK-RYQLBKOJSA-N	1	0	363.502	1.559	20	30		FDEDRO
Cc1cnn(C)c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1	ZINC001082693397	909635193	/nfs/dbraw/zinc/63/51/93/909635193.db2.gz	SJBLVSIGADGKSC-CXAGYDPISA-N	1	0	355.417	1.990	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc[nH]c3C(C)C)C[C@H]2C)C1=O	ZINC001082697401	909653356	/nfs/dbraw/zinc/65/33/56/909653356.db2.gz	BWCGHSKCRCLJCD-DJIMGWMZSA-N	1	0	358.486	1.975	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082697815	909657000	/nfs/dbraw/zinc/65/70/00/909657000.db2.gz	ZMYZGSFGBZEACC-CDHAZOANSA-N	1	0	360.483	1.473	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nccn3C(F)F)C2)c1	ZINC001082729883	909861552	/nfs/dbraw/zinc/86/15/52/909861552.db2.gz	MEEZLPUZZIUFHA-IUODEOHRSA-N	1	0	359.380	1.905	20	30		FDEDRO
C=CCC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@H]1OCC[C@H]1CC)CC2	ZINC001128004698	909867035	/nfs/dbraw/zinc/86/70/35/909867035.db2.gz	CZFKZYSFNBKZLC-VKJFTORMSA-N	1	0	361.490	1.580	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082746297	909977586	/nfs/dbraw/zinc/97/75/86/909977586.db2.gz	WUWMXWXAAPXZIJ-MEBBXXQBSA-N	1	0	357.439	1.297	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnn(C)c3)C2)cc1	ZINC001082789670	910154313	/nfs/dbraw/zinc/15/43/13/910154313.db2.gz	OPIPWOSHHXNTBM-DNVCBOLYSA-N	1	0	352.438	1.682	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cnc(C4CC4)nc3)C[C@H]2C)C1=O	ZINC001082786084	910157808	/nfs/dbraw/zinc/15/78/08/910157808.db2.gz	SKAGVXNSGYQXHQ-KBRIMQKVSA-N	1	0	369.469	1.191	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C)C2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082787663	910167056	/nfs/dbraw/zinc/16/70/56/910167056.db2.gz	BYRQJLUVYYEVKP-GPMSIDNRSA-N	1	0	368.481	1.753	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@]3(C)CCOC3)C[C@H]2C)cc1C#N	ZINC001082824526	910330444	/nfs/dbraw/zinc/33/04/44/910330444.db2.gz	ALFXYQQHOMFHKE-ZTQAJYAQSA-N	1	0	357.454	1.930	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1=O	ZINC000998102720	910345449	/nfs/dbraw/zinc/34/54/49/910345449.db2.gz	AFBULSSRLKODQH-BDXSIMOUSA-N	1	0	361.486	1.169	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000272968653	910359816	/nfs/dbraw/zinc/35/98/16/910359816.db2.gz	KOLIGXLYBQUYHG-YJBOKZPZSA-N	1	0	370.453	1.138	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC000998115428	910372554	/nfs/dbraw/zinc/37/25/54/910372554.db2.gz	JNTQVLBPHTVYSM-YESZJQIVSA-N	1	0	351.491	1.511	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C)cc2=O)C[C@H]1C	ZINC001082838843	910378621	/nfs/dbraw/zinc/37/86/21/910378621.db2.gz	VVQZKNQJAGWBQA-NOZJJQNGSA-N	1	0	354.248	1.642	20	30		FDEDRO
C=CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC000998116597	910390504	/nfs/dbraw/zinc/39/05/04/910390504.db2.gz	OYWMZMWUGINAHM-OKZBNKHCSA-N	1	0	365.518	1.901	20	30		FDEDRO
CCC(=O)N1CC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1	ZINC001082846499	910423905	/nfs/dbraw/zinc/42/39/05/910423905.db2.gz	YGDJWCZDJHHCNI-ATZDWAIDSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[NH2+][C@@H]2CCCN(C)C2=O)CC1	ZINC000998147834	910467042	/nfs/dbraw/zinc/46/70/42/910467042.db2.gz	HMPJCANMNKYSRN-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc4n(n3)CCCC4)C2)nc1	ZINC001082870477	910519288	/nfs/dbraw/zinc/51/92/88/910519288.db2.gz	ZIYPJYSMDBJEDJ-FOIQADDNSA-N	1	0	363.465	1.846	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@H](O)c3ccc(F)cc3)C2)cn1	ZINC001082870915	910521405	/nfs/dbraw/zinc/52/14/05/910521405.db2.gz	RIGBBUGVKQQCSS-XMCHAPAWSA-N	1	0	367.424	1.986	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3sccc3OC)C[C@H]2C)C1=O	ZINC001082875786	910590144	/nfs/dbraw/zinc/59/01/44/910590144.db2.gz	LINUGNKWTCBJSN-HZSPNIEDSA-N	1	0	363.483	1.594	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccc(N(C)C)cc3)C[C@H]2C)C1=O	ZINC001082882165	910640824	/nfs/dbraw/zinc/64/08/24/910640824.db2.gz	FNWCDMWNBNENIU-ATZDWAIDSA-N	1	0	370.497	1.590	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)c3nnc(C)o3)C2)CC1	ZINC001082941130	911015532	/nfs/dbraw/zinc/01/55/32/911015532.db2.gz	RKXUDXODDKWQMD-JKIFEVAISA-N	1	0	359.474	1.221	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)N(CCOC)CC[NH+](C)C	ZINC000273120567	911089455	/nfs/dbraw/zinc/08/94/55/911089455.db2.gz	QMNBCDLSAIJOHE-UHFFFAOYSA-N	1	0	364.446	1.625	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082957717	911142434	/nfs/dbraw/zinc/14/24/34/911142434.db2.gz	BHAAPZCPZKOCEM-CRAIPNDOSA-N	1	0	353.426	1.422	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cccc(Cl)c2)C[C@H]1O	ZINC001077821742	911144608	/nfs/dbraw/zinc/14/46/08/911144608.db2.gz	DTAPERBFJVKPMV-MLHJIOFPSA-N	1	0	364.873	1.983	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC2CCC(F)(F)CC2)C[C@H]1O	ZINC001077821752	911146411	/nfs/dbraw/zinc/14/64/11/911146411.db2.gz	FCNGJSBZKMSGDQ-HZMVEIRTSA-N	1	0	372.456	1.954	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cn(C)nn2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082961956	911184222	/nfs/dbraw/zinc/18/42/22/911184222.db2.gz	FCCJPHGCYXLUPE-FZKQIMNGSA-N	1	0	370.432	1.395	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ccc(C#N)cc3)C2)C1	ZINC000998785380	911663229	/nfs/dbraw/zinc/66/32/29/911663229.db2.gz	NJPWXBHIEWMZOX-HELAGCTPSA-N	1	0	354.454	1.552	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C	ZINC001212409600	911778136	/nfs/dbraw/zinc/77/81/36/911778136.db2.gz	ISKPHPVORBWUCJ-QRVBRYPASA-N	1	0	356.470	1.214	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3c(C)nn(C)c3Cl)[C@H]2C1	ZINC001083131317	912131001	/nfs/dbraw/zinc/13/10/01/912131001.db2.gz	MASLLZXZBQRSBU-JKSUJKDBSA-N	1	0	366.893	1.802	20	30		FDEDRO
C=C(Br)C[NH2+]C1CC(N(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1	ZINC000999160239	912139476	/nfs/dbraw/zinc/13/94/76/912139476.db2.gz	HJFADRBWWALTPC-HKKVPVCXSA-N	1	0	373.291	1.526	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCn2c(C)csc2=O)[C@H](OC)C1	ZINC001212411823	912179109	/nfs/dbraw/zinc/17/91/09/912179109.db2.gz	KGSJBLMRMOHIIE-FVQBIDKESA-N	1	0	367.515	1.778	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)[C@@H]2C1	ZINC001084546444	915303955	/nfs/dbraw/zinc/30/39/55/915303955.db2.gz	YXYBBWQQPARUSK-RHSMWYFYSA-N	1	0	355.442	1.444	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCN(S(C)(=O)=O)C3)C[C@H]21	ZINC001084578038	915483098	/nfs/dbraw/zinc/48/30/98/915483098.db2.gz	GRHUPUJZFBALCC-BZUAXINKSA-N	1	0	369.531	1.013	20	30		FDEDRO
CN1C(=O)CC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001084601635	915537283	/nfs/dbraw/zinc/53/72/83/915537283.db2.gz	NNNAIAQQPKZNFV-KZNAEPCWSA-N	1	0	352.438	1.212	20	30		FDEDRO
C=CCC(CC=C)C(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1	ZINC001065207993	915952413	/nfs/dbraw/zinc/95/24/13/915952413.db2.gz	YJLDXBAIVWSRAE-KBAYOESNSA-N	1	0	363.502	1.439	20	30		FDEDRO
C=C(Br)CN1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1	ZINC001084661927	915954969	/nfs/dbraw/zinc/95/49/69/915954969.db2.gz	OHBCHYICZSLRCW-BPLDGKMQSA-N	1	0	356.308	1.770	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CCc4cn[nH]n4)[C@@H]3C2)cc1	ZINC001084671413	916041476	/nfs/dbraw/zinc/04/14/76/916041476.db2.gz	RWPOQCJZSHQIPJ-SJLPKXTDSA-N	1	0	350.426	1.342	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1	ZINC000730098814	916120410	/nfs/dbraw/zinc/12/04/10/916120410.db2.gz	QYSNMFOOXHUEQB-HNNXBMFYSA-N	1	0	356.426	1.192	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1	ZINC000730284744	916470583	/nfs/dbraw/zinc/47/05/83/916470583.db2.gz	BUNGFSHNPMVOOA-NRFANRHFSA-N	1	0	368.525	1.360	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CCC(=O)N2CCOc3ccccc32)CC1	ZINC000730276949	916497937	/nfs/dbraw/zinc/49/79/37/916497937.db2.gz	VHLAEOIVDYVVLW-UHFFFAOYSA-N	1	0	356.426	1.296	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCCc3nc(C)no3)C[C@H]21	ZINC001084715743	916499729	/nfs/dbraw/zinc/49/97/29/916499729.db2.gz	UNEQLXNSJLABRZ-NTDBWNAOSA-N	1	0	374.485	1.825	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCN(Cc4ccc(C#N)s4)C[C@H]32)C1	ZINC001084773419	917025574	/nfs/dbraw/zinc/02/55/74/917025574.db2.gz	OZTJMMFQJRUJHN-HDMKZQKVSA-N	1	0	358.511	1.994	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](CCc4cnn(CC)c4)C[C@H]32)cn1	ZINC001084784476	917094666	/nfs/dbraw/zinc/09/46/66/917094666.db2.gz	QRMGCEHCVWTVFH-UYAOXDASSA-N	1	0	363.465	1.668	20	30		FDEDRO
CN1C(=O)CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001084803664	917246606	/nfs/dbraw/zinc/24/66/06/917246606.db2.gz	JTIUMULKSMHGBF-CEXWTWQISA-N	1	0	366.465	1.602	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4ccc(F)cn4)C[C@H]32)CC1	ZINC001084851013	917656882	/nfs/dbraw/zinc/65/68/82/917656882.db2.gz	JGIVSLYYMRVWDD-YLJYHZDGSA-N	1	0	370.472	1.599	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1	ZINC000731129459	917775065	/nfs/dbraw/zinc/77/50/65/917775065.db2.gz	KTPAVTBUGJIPRU-SFHVURJKSA-N	1	0	373.453	1.206	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ccc(C)nc4)C[C@@H]32)C1=O	ZINC001084891068	918034414	/nfs/dbraw/zinc/03/44/14/918034414.db2.gz	AJYNPYSCJBYZRQ-UHOSZYNNSA-N	1	0	368.481	1.713	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4COCCO4)C[C@@H]32)s1	ZINC001084894472	918073822	/nfs/dbraw/zinc/07/38/22/918073822.db2.gz	KMNWGJUACFEGRC-XOKHGSTOSA-N	1	0	361.467	1.458	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cc(C)n(C)n4)C[C@@H]32)C1=O	ZINC001084898976	918101748	/nfs/dbraw/zinc/10/17/48/918101748.db2.gz	MASVMSHJGFOHNZ-SZMVWBNQSA-N	1	0	371.485	1.052	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H]2CC[N@H+](Cc3ccc4c(c3)nnn4C)[C@H]2C1	ZINC001084906205	918168262	/nfs/dbraw/zinc/16/82/62/918168262.db2.gz	GQLXBIIYBROGKZ-JOQOYGCGSA-N	1	0	352.442	1.551	20	30		FDEDRO
c1ccc2nc(N=NC3CC[NH+](CCN4CCOCC4)CC3)cnc2c1	ZINC000731558350	918198339	/nfs/dbraw/zinc/19/83/39/918198339.db2.gz	SVWQNPSKDKKGHS-UHFFFAOYSA-N	1	0	354.458	1.826	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cnccc4C)C[C@@H]32)C1=O	ZINC001084911588	918252788	/nfs/dbraw/zinc/25/27/88/918252788.db2.gz	NPJYEINEBXOAAH-WDSOQIARSA-N	1	0	368.481	1.713	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)/C=C/c2ccc(NS(C)(=O)=O)cc2)CC1	ZINC000731636388	918294696	/nfs/dbraw/zinc/29/46/96/918294696.db2.gz	BYNWKKIKGWONHM-VMPITWQZSA-N	1	0	362.455	1.175	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cc(C)ncn4)C[C@@H]32)C1=O	ZINC001084924350	918341437	/nfs/dbraw/zinc/34/14/37/918341437.db2.gz	YINOUVMXNGFSTG-JQHSSLGASA-N	1	0	369.469	1.108	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3CC[N@H+](C[C@@H]4CCNC(=O)CC4)[C@H]3C2)c[nH]1	ZINC001084925698	918360167	/nfs/dbraw/zinc/36/01/67/918360167.db2.gz	TYYBDEVJISSWIR-DAYGRLMNSA-N	1	0	369.469	1.339	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)CCn4ccnn4)C[C@@H]32)cc1	ZINC001084928711	918375682	/nfs/dbraw/zinc/37/56/82/918375682.db2.gz	BFXZAKFICDJMDH-MOPGFXCFSA-N	1	0	364.453	1.663	20	30		FDEDRO
Cn1cnc(C(=O)N2CC[C@H]3CC[N@H+](Cc4cccc(C#N)c4)[C@H]3C2)n1	ZINC001084934848	918533942	/nfs/dbraw/zinc/53/39/42/918533942.db2.gz	HGARINYJFMFJNE-SJORKVTESA-N	1	0	350.426	1.423	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)C[C@@H]21	ZINC001084938739	918596105	/nfs/dbraw/zinc/59/61/05/918596105.db2.gz	CRTBRFPYZKROFD-RYRKJORJSA-N	1	0	371.485	1.652	20	30		FDEDRO
C=C(Cl)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1	ZINC001098928917	918647881	/nfs/dbraw/zinc/64/78/81/918647881.db2.gz	ADGRSSGASIUCCI-KEYYUXOJSA-N	1	0	354.882	1.500	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCCS3(=O)=O)C[C@@H]21	ZINC001084956051	918792419	/nfs/dbraw/zinc/79/24/19/918792419.db2.gz	OXARWZZTCXSEBV-IXDOHACOSA-N	1	0	354.516	1.843	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CNC(=O)c4ccccc43)C[C@@H]21	ZINC001084960635	918835874	/nfs/dbraw/zinc/83/58/74/918835874.db2.gz	YVVWMISOZOCPCK-MNEFBYGVSA-N	1	0	351.450	1.460	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](Cn3cccn3)N(C)C)C[C@@H]21	ZINC001084958165	918848412	/nfs/dbraw/zinc/84/84/12/918848412.db2.gz	OJGWJNBGEKHCKQ-QYZOEREBSA-N	1	0	359.518	1.702	20	30		FDEDRO
O=C(c1cnc[nH]c1=O)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001084967188	918962773	/nfs/dbraw/zinc/96/27/73/918962773.db2.gz	QYNSHHVDBDRJEA-MJGOQNOKSA-N	1	0	362.433	1.770	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)c4cnc[nH]c4=O)C[C@@H]32)s1	ZINC001084967245	918964757	/nfs/dbraw/zinc/96/47/57/918964757.db2.gz	WPCURPVHCNGLNL-WBMJQRKESA-N	1	0	369.450	1.852	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cnc4ccc(OC)nn43)C[C@@H]21	ZINC001084975031	919049563	/nfs/dbraw/zinc/04/95/63/919049563.db2.gz	IPXBIIQVECAABZ-ZBFHGGJFSA-N	1	0	355.442	1.850	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(=O)n(CCOC)c3)C[C@@H]21	ZINC001084980111	919135407	/nfs/dbraw/zinc/13/54/07/919135407.db2.gz	WOZSNIPAYZDEOR-AEFFLSMTSA-N	1	0	359.470	1.607	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cc(F)c[nH]4)C[C@@H]32)C1=O	ZINC001084991502	919297793	/nfs/dbraw/zinc/29/77/93/919297793.db2.gz	JVTXTYYKNBSWDI-JQFCIGGWSA-N	1	0	360.433	1.477	20	30		FDEDRO
Cc1n[nH]nc1C(=O)N1CC[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@H]2C1	ZINC001085003577	919524486	/nfs/dbraw/zinc/52/44/86/919524486.db2.gz	YHQCXXBIFYVUAK-SJORKVTESA-N	1	0	350.426	1.721	20	30		FDEDRO
Cn1c(C(=O)N2CC[C@H]3CC[N@H+](Cc4cccc(C#N)c4)[C@H]3C2)c[nH]c1=O	ZINC001085005823	919564221	/nfs/dbraw/zinc/56/42/21/919564221.db2.gz	MLDHPLLOKJHRDB-AEFFLSMTSA-N	1	0	365.437	1.734	20	30		FDEDRO
CC(C)(C)[NH+]1CCC(NC(=O)NCCNC(=O)C2N=CC=CC2=O)CC1	ZINC000732447262	919618917	/nfs/dbraw/zinc/61/89/17/919618917.db2.gz	CFXSTPYEWQPCKH-FOCLMDBBSA-N	1	0	363.462	1.075	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCN(CC(F)(F)F)C3)C[C@@H]21	ZINC001085017167	919689678	/nfs/dbraw/zinc/68/96/78/919689678.db2.gz	MPOHFHLDQGZJDO-PMPSAXMXSA-N	1	0	357.420	1.817	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)C4(C(N)=O)CC4)C[C@@H]32)cc1	ZINC001085021615	919762882	/nfs/dbraw/zinc/76/28/82/919762882.db2.gz	NGDXAPOVLUZJLU-SJORKVTESA-N	1	0	352.438	1.247	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CCN1C1CC1	ZINC000732701063	919992567	/nfs/dbraw/zinc/99/25/67/919992567.db2.gz	OWHQWBWUNJJNEL-PKOBYXMFSA-N	1	0	353.470	1.643	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCS(=O)(=O)C3)C[C@@H]21	ZINC001085047987	920051568	/nfs/dbraw/zinc/05/15/68/920051568.db2.gz	ZHWVUXJNEGDNLJ-ZACQAIPSSA-N	1	0	354.516	1.700	20	30		FDEDRO
C=C(Cl)CN1CC[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@@H]21	ZINC001085054055	920163142	/nfs/dbraw/zinc/16/31/42/920163142.db2.gz	HPNADGDOLXCWMN-WBVHZDCISA-N	1	0	365.909	1.734	20	30		FDEDRO
Cn1cncc1CC(=O)N1CC[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@H]2C1	ZINC001085075588	920506250	/nfs/dbraw/zinc/50/62/50/920506250.db2.gz	WGNVSPGUCYZPIO-UZLBHIALSA-N	1	0	363.465	1.957	20	30		FDEDRO
C=C(Br)CN1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21	ZINC001085076111	920559403	/nfs/dbraw/zinc/55/94/03/920559403.db2.gz	KRELLZDSFAVFJI-CABCVRRESA-N	1	0	368.319	1.914	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4[nH]cnc4CC)C[C@@H]32)C1=O	ZINC001085084496	920619554	/nfs/dbraw/zinc/61/95/54/920619554.db2.gz	HYRACZGOGYXHNW-XIRDDKMYSA-N	1	0	371.485	1.295	20	30		FDEDRO
CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000733166058	920715353	/nfs/dbraw/zinc/71/53/53/920715353.db2.gz	OFKIFFHDHRFXHX-MRXNPFEDSA-N	1	0	366.487	1.195	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(=O)n(CCCC)n3)C[C@@H]21	ZINC001085090915	920775090	/nfs/dbraw/zinc/77/50/90/920775090.db2.gz	POJFBZCKMLQMHT-AEFFLSMTSA-N	1	0	356.470	1.603	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cccn4CC)C[C@@H]32)C1=O	ZINC001085094278	920853886	/nfs/dbraw/zinc/85/38/86/920853886.db2.gz	NELDWBWJERFLEG-UHOSZYNNSA-N	1	0	370.497	1.831	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2nccnc2N)cc1	ZINC001085154967	921847699	/nfs/dbraw/zinc/84/76/99/921847699.db2.gz	VLYJQPVCAFPRCG-HZPDHXFCSA-N	1	0	350.426	1.761	20	30		FDEDRO
C[C@@H]1CCCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C#N)c[nH]2)C1	ZINC001085163813	921911417	/nfs/dbraw/zinc/91/14/17/921911417.db2.gz	BJBARSJFBVXWAG-DJIMGWMZSA-N	1	0	371.485	1.775	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCCC2)c[nH]1	ZINC001085174645	921994048	/nfs/dbraw/zinc/99/40/48/921994048.db2.gz	MCZGIGSCZIFKKT-IAGOWNOFSA-N	1	0	357.458	1.529	20	30		FDEDRO
COc1nccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(C#N)c2)n1	ZINC001085174854	921995514	/nfs/dbraw/zinc/99/55/14/921995514.db2.gz	XMMYRRNUJMJXPF-HZPDHXFCSA-N	1	0	354.414	1.516	20	30		FDEDRO
N#Cc1cccnc1NCCNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000733890528	922241578	/nfs/dbraw/zinc/24/15/78/922241578.db2.gz	KPWUXDHSUDOHPX-HXUWFJFHSA-N	1	0	365.437	1.118	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(C)nn2)C1=O	ZINC001085195714	922440166	/nfs/dbraw/zinc/44/01/66/922440166.db2.gz	LHRNRYRHQDUYIZ-INMHGKMJSA-N	1	0	357.458	1.203	20	30		FDEDRO
C=CCOCC(=O)N[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1	ZINC001065988224	922514195	/nfs/dbraw/zinc/51/41/95/922514195.db2.gz	YDGQSWUWCHHWHG-YESZJQIVSA-N	1	0	351.491	1.417	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(c4ccc(C#N)nc4)C[C@H]3C2)CC[N@@H+]1C	ZINC001066079803	922551967	/nfs/dbraw/zinc/55/19/67/922551967.db2.gz	PPPCRAUYWOCYRI-QGWWYQLQSA-N	1	0	353.470	1.578	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2ccncc2C#N)CC[N@@H+]1C	ZINC001066201757	922620722	/nfs/dbraw/zinc/62/07/22/922620722.db2.gz	GNQLHVMRVVEMBX-OPNNQBFTSA-N	1	0	353.470	1.863	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3c2ccc(C#N)nc2)CC[N@@H+]1C	ZINC001066203554	922625478	/nfs/dbraw/zinc/62/54/78/922625478.db2.gz	SXGPHHAADFJOJI-UTRMSSBJSA-N	1	0	353.470	1.863	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C2CS(=O)(=O)C2)cc1	ZINC001085209822	922769167	/nfs/dbraw/zinc/76/91/67/922769167.db2.gz	CTTUUEJATMJDTE-IAGOWNOFSA-N	1	0	361.467	1.120	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@]1(CO)CCCN(Cc2ccccc2)C1	ZINC000734000208	922780486	/nfs/dbraw/zinc/78/04/86/922780486.db2.gz	OCMVSMYFUBVBAG-GHTZIAJQSA-N	1	0	372.513	1.611	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2onc(C)c2C)C1=O	ZINC001085237738	923035506	/nfs/dbraw/zinc/03/55/06/923035506.db2.gz	OXFOZYMFCBWCEC-OAGGEKHMSA-N	1	0	360.458	1.709	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c[nH]nc2CC)C1=O	ZINC001085255348	923249416	/nfs/dbraw/zinc/24/94/16/923249416.db2.gz	ADVALSOGUUZTDX-ZACQAIPSSA-N	1	0	359.474	1.390	20	30		FDEDRO
Cn1c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(F)ccc2C#N)c[nH]c1=O	ZINC001085297251	923627595	/nfs/dbraw/zinc/62/75/95/923627595.db2.gz	XEHJBCFWJHSKDX-HZPDHXFCSA-N	1	0	371.416	1.967	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(=O)cn2)c1	ZINC001085312382	923731145	/nfs/dbraw/zinc/73/11/45/923731145.db2.gz	BUMNFXHJPWVXOA-HZPDHXFCSA-N	1	0	369.400	1.611	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnc(C)n2C)C1=O	ZINC001085310805	923754436	/nfs/dbraw/zinc/75/44/36/923754436.db2.gz	QDLKKGHVXHWCIW-OAGGEKHMSA-N	1	0	359.474	1.146	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCc3ncnn32)c1	ZINC001085326645	923889170	/nfs/dbraw/zinc/88/91/70/923889170.db2.gz	ZWUVQQFIMVFSHR-KZNAEPCWSA-N	1	0	364.453	1.473	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc(C)n2CC)c1	ZINC001085326062	923916511	/nfs/dbraw/zinc/91/65/11/923916511.db2.gz	UHJUNUZCAZVWQX-QZTJIDSGSA-N	1	0	366.469	1.814	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ocnc2CC)C1=O	ZINC001085325871	923916736	/nfs/dbraw/zinc/91/67/36/923916736.db2.gz	KCLLOPAIXSIXDS-BZUAXINKSA-N	1	0	360.458	1.655	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H](C)c2nnc(C)[nH]2)c1	ZINC001085326013	923916845	/nfs/dbraw/zinc/91/68/45/923916845.db2.gz	RIOPFBJURUINHG-JCURWCKSSA-N	1	0	352.442	1.881	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(C(N)=O)[nH]1	ZINC001085333731	923964353	/nfs/dbraw/zinc/96/43/53/923964353.db2.gz	FTWDBAXZJHQXRA-GHMZBOCLSA-N	1	0	369.263	1.653	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cncc(OC)n1	ZINC001085360369	924219564	/nfs/dbraw/zinc/21/95/64/924219564.db2.gz	AVDAMCTVIOFRNJ-FAJBIJEISA-N	1	0	374.485	1.983	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccnc(C)c2)C1=O	ZINC001085370035	924296937	/nfs/dbraw/zinc/29/69/37/924296937.db2.gz	XFVGCWZFPMCEMU-KZNAEPCWSA-N	1	0	356.470	1.808	20	30		FDEDRO
C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1	ZINC000826776959	924324931	/nfs/dbraw/zinc/32/49/31/924324931.db2.gz	CQCWJMKFEYOYMN-KBXCAEBGSA-N	1	0	362.861	1.315	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](CC)C(N)=O	ZINC001085388814	924401832	/nfs/dbraw/zinc/40/18/32/924401832.db2.gz	CRCOPIQDYWHDOU-RBSFLKMASA-N	1	0	360.458	1.541	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)C(=O)NC2=O	ZINC001085398519	924448285	/nfs/dbraw/zinc/44/82/85/924448285.db2.gz	KYPUOFHVKUGTSW-HUUCEWRRSA-N	1	0	361.829	1.953	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]3CN(c4ccc(C#N)cn4)C[C@H]32)CC[N@@H+]1C	ZINC001066253065	924530913	/nfs/dbraw/zinc/53/09/13/924530913.db2.gz	JAIUNHCRQICZCN-BZZMCLGOSA-N	1	0	353.470	1.721	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cn2ccccc2=O)cc1	ZINC001085418836	924577431	/nfs/dbraw/zinc/57/74/31/924577431.db2.gz	UXUUDYUWWKBSRI-RTBURBONSA-N	1	0	364.449	1.937	20	30		FDEDRO
C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC001085867846	925340803	/nfs/dbraw/zinc/34/08/03/925340803.db2.gz	XIYADFAIUOBEGX-JENIJYKNSA-N	1	0	356.470	1.710	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCCN1CCCC1=O	ZINC001085864820	925344425	/nfs/dbraw/zinc/34/44/25/925344425.db2.gz	LGJYLBVTLMEHML-AOIWGVFYSA-N	1	0	363.502	1.513	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CCn2cnc3ccccc3c2=O)CC1	ZINC000740735435	925419287	/nfs/dbraw/zinc/41/92/87/925419287.db2.gz	FPKJYXGWYLPDJH-UHFFFAOYSA-N	1	0	352.438	1.391	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)CC1	ZINC000740737277	925420997	/nfs/dbraw/zinc/42/09/97/925420997.db2.gz	ITCBPCLDDKWSBQ-UHFFFAOYSA-N	1	0	368.437	1.096	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H](NC(=O)N2CCCC2)[C@@H](C)CC)CC1	ZINC000740737984	925421804	/nfs/dbraw/zinc/42/18/04/925421804.db2.gz	PDPPWCFKQRAOML-WMZOPIPTSA-N	1	0	362.518	1.810	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)Cc2csc(NC(=O)C(C)C)n2)CC1	ZINC000740748664	925435102	/nfs/dbraw/zinc/43/51/02/925435102.db2.gz	UAGZMPKGFPMTDJ-UHFFFAOYSA-N	1	0	362.499	1.884	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@]1(C)C[N@H+](CCC2CCOCC2)CCO1	ZINC001108226464	925534728	/nfs/dbraw/zinc/53/47/28/925534728.db2.gz	VSNMQTOFSSZPSS-WSTZPKSXSA-N	1	0	366.502	1.601	20	30		FDEDRO
CN(CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)C[C@H]1CCC[N@H+](C)C1	ZINC000741248731	925655004	/nfs/dbraw/zinc/65/50/04/925655004.db2.gz	BXEJBEXXYRGMJP-HOCLYGCPSA-N	1	0	367.453	1.785	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)C1=O	ZINC001086092866	925949836	/nfs/dbraw/zinc/94/98/36/925949836.db2.gz	NGRLQFXBDXHPDI-RCFCFVIZSA-N	1	0	357.498	1.860	20	30		FDEDRO
COc1ccc(C[NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)cc1C#N	ZINC000742366039	926031357	/nfs/dbraw/zinc/03/13/57/926031357.db2.gz	BYTXVVBEKZLCHW-UHFFFAOYSA-N	1	0	356.426	1.911	20	30		FDEDRO
C=C(Br)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC001086200149	926270446	/nfs/dbraw/zinc/27/04/46/926270446.db2.gz	JWMSGCRBFYGMDW-NDBYEHHHSA-N	1	0	358.280	1.281	20	30		FDEDRO
C[NH+](C)CCNC(=O)CC1SC(=Nc2cnc3ccccc3c2)NC1=O	ZINC000743277427	926307227	/nfs/dbraw/zinc/30/72/27/926307227.db2.gz	QJJSMACNTWLFKB-OAHLLOKOSA-N	1	0	371.466	1.522	20	30		FDEDRO
C[C@]1(c2cccc(C#N)c2)NC(=O)N(C[N@@H+]2CCC3(C2)CCOCC3)C1=O	ZINC000743406346	926356145	/nfs/dbraw/zinc/35/61/45/926356145.db2.gz	VCJYSRLOJNTUSI-LJQANCHMSA-N	1	0	368.437	1.785	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)C[C@@](O)(c2nccn2C)C(F)(F)F)CC1	ZINC000743490435	926378386	/nfs/dbraw/zinc/37/83/86/926378386.db2.gz	PRAVPCUERVKCBM-MRXNPFEDSA-N	1	0	372.391	1.164	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H](C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1	ZINC000743492648	926378886	/nfs/dbraw/zinc/37/88/86/926378886.db2.gz	YKAKYLGRENJEKS-OIISXLGYSA-N	1	0	359.470	1.154	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(NC(C)=O)c(C)c2)CC1	ZINC000743945883	926506074	/nfs/dbraw/zinc/50/60/74/926506074.db2.gz	CCJNKICEUOQPTE-UHFFFAOYSA-N	1	0	358.442	1.659	20	30		FDEDRO
N#CCn1c(=O)c2ccccc2nc1CN1CCC[C@H]1C[NH+]1CCCC1	ZINC000744398762	926657004	/nfs/dbraw/zinc/65/70/04/926657004.db2.gz	POWHZETYUCMOEP-INIZCTEOSA-N	1	0	351.454	1.980	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@H]3OCC[C@H]3C(C)C)C2)C1=O	ZINC001086368548	926856034	/nfs/dbraw/zinc/85/60/34/926856034.db2.gz	LLTBFJUEZKYVAP-ATIWLJMLSA-N	1	0	363.502	1.319	20	30		FDEDRO
C#CCOc1ccc(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)cc1	ZINC000745215552	927119396	/nfs/dbraw/zinc/11/93/96/927119396.db2.gz	ZEOWSBFAFMUUIO-UHFFFAOYSA-N	1	0	356.422	1.598	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1	ZINC001066547325	927496428	/nfs/dbraw/zinc/49/64/28/927496428.db2.gz	BLEQUROHPIUZHH-BBWFWOEESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C[NH+](CC)CC)CC1	ZINC001066547551	927504966	/nfs/dbraw/zinc/50/49/66/927504966.db2.gz	GYSYQJXHSFCCKB-BBWFWOEESA-N	1	0	351.491	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N2CCCCCC2)C1	ZINC001086481157	927518556	/nfs/dbraw/zinc/51/85/56/927518556.db2.gz	QYSJTMVIBXHEIM-TVFCKZIOSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N2CCC[C@@H](C)C2)C1	ZINC001086481155	927518989	/nfs/dbraw/zinc/51/89/89/927518989.db2.gz	QXKJAZQKZFGLSI-ZKXLYKBJSA-N	1	0	363.502	1.320	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3c3ccco3)C2)C1=O	ZINC001086485554	927546567	/nfs/dbraw/zinc/54/65/67/927546567.db2.gz	CIKZRTQAWQBYNF-WRQOLXDDSA-N	1	0	357.454	1.654	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)c2nnnn2C)C1	ZINC001086500655	927663060	/nfs/dbraw/zinc/66/30/60/927663060.db2.gz	LXEWQGUONVVJSM-SUJAAXHWSA-N	1	0	362.478	1.127	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc3n(n2)CCC3)C1	ZINC001086503817	927711180	/nfs/dbraw/zinc/71/11/80/927711180.db2.gz	OXTFOWWYVZBRQS-LNMJFAINSA-N	1	0	358.486	1.795	20	30		FDEDRO
C[C@@H]1C(NNc2ccc(-n3cccn3)n[nH+]2)=CC(=O)N1C(=O)OC(C)(C)C	ZINC000766451339	928046169	/nfs/dbraw/zinc/04/61/69/928046169.db2.gz	VLXBEDLEQDDDMS-LLVKDONJSA-N	1	0	371.401	1.986	20	30		FDEDRO
N#CC(C#N)c1nc2ccccc2nc1-n1nnc(-c2cccc(C[NH3+])c2)n1	ZINC001168877721	928157447	/nfs/dbraw/zinc/15/74/47/928157447.db2.gz	DAVJLOOSXRNPGO-UHFFFAOYSA-N	1	0	367.376	1.862	20	30		FDEDRO
C[NH+](C)C1CCN(C(=O)Cc2noc(-c3sccc3CC#N)n2)CC1	ZINC000866986636	928254936	/nfs/dbraw/zinc/25/49/36/928254936.db2.gz	YXKVGHQZKLIAAE-UHFFFAOYSA-N	1	0	359.455	1.959	20	30		FDEDRO
Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(-n2cncc2C[C@@H]([NH3+])CO)n1	ZINC001169071966	928261492	/nfs/dbraw/zinc/26/14/92/928261492.db2.gz	JDXYJIZTZHJWSQ-NDQIBGJRSA-N	1	0	363.487	1.319	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cc(F)cc(C#N)c1	ZINC000866995584	928656117	/nfs/dbraw/zinc/65/61/17/928656117.db2.gz	HCCSVGMOSVSSBC-HYVNUMGLSA-N	1	0	367.446	1.570	20	30		FDEDRO
C#CCCN1CCC[C@H]([NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)C1=O	ZINC001169743180	928880441	/nfs/dbraw/zinc/88/04/41/928880441.db2.gz	GQPMDTOBLLLNNU-OALUTQOASA-N	1	0	353.466	1.895	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CCC(=O)Nc2ccc(OCC)cc2)CC1	ZINC000766867338	928943783	/nfs/dbraw/zinc/94/37/83/928943783.db2.gz	PCRHRFWHCVKWSS-UHFFFAOYSA-N	1	0	357.454	1.875	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2nocc2C)[C@@H](n2ccnn2)C1	ZINC001129369757	929379022	/nfs/dbraw/zinc/37/90/22/929379022.db2.gz	FQPSESAZYBADJY-CVEARBPZSA-N	1	0	358.446	1.976	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3nncn3CC1)C2	ZINC001109536008	929710931	/nfs/dbraw/zinc/71/09/31/929710931.db2.gz	SFLAADRTHASDPC-YVSFHVDLSA-N	1	0	359.474	1.155	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cnnn3)cn1)C2	ZINC001109548958	929732946	/nfs/dbraw/zinc/73/29/46/929732946.db2.gz	BQWACYVNNGEGQR-KNCCTNLNSA-N	1	0	367.457	1.747	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C2	ZINC001109584253	929847726	/nfs/dbraw/zinc/84/77/26/929847726.db2.gz	BIIBJRRQKOPPMP-FZKCQIBNSA-N	1	0	351.491	1.461	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3nn(C)cc31)C2	ZINC001109645060	929997062	/nfs/dbraw/zinc/99/70/62/929997062.db2.gz	OGOLLCYUBKANAL-PDWMJMLSSA-N	1	0	358.486	1.764	20	30		FDEDRO
COCC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1C1CC1)C[C@H](C)O2	ZINC001111550640	930109227	/nfs/dbraw/zinc/10/92/27/930109227.db2.gz	GSKFKBVTBDEFFU-YTQUADARSA-N	1	0	360.498	1.764	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)N(C)C	ZINC001109678821	930136394	/nfs/dbraw/zinc/13/63/94/930136394.db2.gz	IYBGCJIWENSNIU-CVYDXHPNSA-N	1	0	371.547	1.592	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CS(=O)(=O)N(CC)CC)C2	ZINC001109780037	930431008	/nfs/dbraw/zinc/43/10/08/930431008.db2.gz	FYEUXWIHGQAGAV-YVSFHVDLSA-N	1	0	371.547	1.734	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCOC(C)C	ZINC001109805672	930497121	/nfs/dbraw/zinc/49/71/21/930497121.db2.gz	GGIROEFDHQNCMY-HCXYKTFWSA-N	1	0	365.518	1.994	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCCCN1C(C)=O)C2	ZINC001109829805	930538189	/nfs/dbraw/zinc/53/81/89/930538189.db2.gz	XGJPTDOUVDCMQZ-YRXWBPOGSA-N	1	0	363.502	1.702	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CNC(C)=O)o1)C2	ZINC001109847999	930586925	/nfs/dbraw/zinc/58/69/25/930586925.db2.gz	QVHCKCGXQWQCOO-PVAVHDDUSA-N	1	0	361.442	1.453	20	30		FDEDRO
C[C@H]1C[N@H+](CCC(=O)N(C)CCC#N)CC[C@H]1NC(=O)OC(C)(C)C	ZINC000771447111	930680799	/nfs/dbraw/zinc/68/07/99/930680799.db2.gz	LCJZUKADOHBLEQ-LSDHHAIUSA-N	1	0	352.479	1.984	20	30		FDEDRO
C[NH+]1CCN(c2ccc(C=NNC(=S)NC[C@@H]3CCCO3)cc2)CC1	ZINC000771555931	930738817	/nfs/dbraw/zinc/73/88/17/930738817.db2.gz	RDBFFDINVNCDRO-KRWDZBQOSA-N	1	0	361.515	1.415	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1nc3cc[nH]cc-3n1)C2	ZINC001109941107	930830513	/nfs/dbraw/zinc/83/05/13/930830513.db2.gz	LLKZUEYLJVOCKX-HFTRVMKXSA-N	1	0	369.469	1.815	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOC[C@H]2CCCO2)nc1	ZINC001109998379	930996492	/nfs/dbraw/zinc/99/64/92/930996492.db2.gz	WECLVWZAWUVODN-JYBIWHBTSA-N	1	0	369.465	1.594	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](O)COCC(C)C)cn1	ZINC001110001351	931010940	/nfs/dbraw/zinc/01/09/40/931010940.db2.gz	XUXDHZCGLPZCHE-ZRNYENFQSA-N	1	0	371.481	1.432	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)NCc2cccc(OCC)c2)CC1	ZINC000772110814	931079569	/nfs/dbraw/zinc/07/95/69/931079569.db2.gz	VGSXJOSJFOMMMQ-UHFFFAOYSA-N	1	0	358.438	1.590	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)N2CCc3ccccc3C2)CC1	ZINC000772114284	931081691	/nfs/dbraw/zinc/08/16/91/931081691.db2.gz	YYVMRTDWWRLDPZ-INIZCTEOSA-N	1	0	354.450	1.848	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNC(=O)c1ccco1)C2	ZINC001110073313	931381758	/nfs/dbraw/zinc/38/17/58/931381758.db2.gz	QPIXUIXTPQROOU-PMPSAXMXSA-N	1	0	361.442	1.324	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1C(=O)NC(=O)C1(C)C)C2	ZINC001112556930	931543923	/nfs/dbraw/zinc/54/39/23/931543923.db2.gz	DHNHVZLRZYYYKW-LIRRHRJNSA-N	1	0	362.474	1.111	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn(C3CCOCC3)nn1)C2	ZINC001112558751	931579639	/nfs/dbraw/zinc/57/96/39/931579639.db2.gz	VVKIAINMCIFDBV-JXFKEZNVSA-N	1	0	371.485	1.485	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H](OC)c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129393296	931584462	/nfs/dbraw/zinc/58/44/62/931584462.db2.gz	HJYSZRXGWLLHDZ-CEXWTWQISA-N	1	0	369.469	1.974	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCO)C1	ZINC001112565334	931611670	/nfs/dbraw/zinc/61/16/70/931611670.db2.gz	WLLRQIGFVQOBOK-JXFKEZNVSA-N	1	0	357.454	1.308	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(OC)cc1)C2	ZINC001112568569	931631051	/nfs/dbraw/zinc/63/10/51/931631051.db2.gz	YYAAJLUSXGCTFS-UWJYYQICSA-N	1	0	371.481	1.829	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNS(=O)(=O)CCCC)C2	ZINC001112570084	931650079	/nfs/dbraw/zinc/65/00/79/931650079.db2.gz	CSHCTKNLHZOSIM-RDJZCZTQSA-N	1	0	357.520	1.110	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1cncn1C)C2	ZINC001112571696	931655684	/nfs/dbraw/zinc/65/56/84/931655684.db2.gz	JOMCSUZHXBPVLZ-PXNSSMCTSA-N	1	0	358.486	1.221	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)c1cccc(F)c1)C2	ZINC001112574137	931680329	/nfs/dbraw/zinc/68/03/29/931680329.db2.gz	POKZREPVQHYRBH-UWJYYQICSA-N	1	0	371.456	1.797	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc3c(c1)nc[nH]c3=O)C2	ZINC001112579430	931742065	/nfs/dbraw/zinc/74/20/65/931742065.db2.gz	NBLOBUFGDDMMSS-YWZLYKJASA-N	1	0	350.422	1.801	20	30		FDEDRO
CN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC#Cc1ccccc1)C2	ZINC001112583456	931754378	/nfs/dbraw/zinc/75/43/78/931754378.db2.gz	TWQFYCQNNZVVLS-UGKGYDQZSA-N	1	0	367.493	1.735	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)c1cc(C)oc1C)C2	ZINC001112580787	931762785	/nfs/dbraw/zinc/76/27/85/931762785.db2.gz	FRAFKLVPEOKSHJ-JXFKEZNVSA-N	1	0	357.454	1.478	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ncnn2CC)C1	ZINC001112588851	931798155	/nfs/dbraw/zinc/79/81/55/931798155.db2.gz	YRKIKYARSYYZQO-LPHOPBHVSA-N	1	0	361.490	1.609	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)C(=O)NC2CC2)C1	ZINC001112589134	931801773	/nfs/dbraw/zinc/80/17/73/931801773.db2.gz	MNNOKUHWPBIRJX-GUXCAODWSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cnsn2)C1	ZINC001112589055	931802269	/nfs/dbraw/zinc/80/22/69/931802269.db2.gz	JGYHZYXQXRLFHI-KEYYUXOJSA-N	1	0	350.488	1.848	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)N1CCCC1=O)C2	ZINC001112590256	931835733	/nfs/dbraw/zinc/83/57/33/931835733.db2.gz	LPTJDWRIWUKUTA-DSKINZAPSA-N	1	0	359.514	1.875	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Oc2ccccn2)[C@@H](n2ccnn2)C1	ZINC001129393422	932054664	/nfs/dbraw/zinc/05/46/64/932054664.db2.gz	KOIFWUISZHGWKR-ZACQAIPSSA-N	1	0	370.457	1.448	20	30		FDEDRO
N#Cc1cc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)ccn1	ZINC001170066336	932127029	/nfs/dbraw/zinc/12/70/29/932127029.db2.gz	MIOLZMIFNRFPFE-UHFFFAOYSA-N	1	0	353.407	1.655	20	30		FDEDRO
Cc1nc(N2CCC(CO)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)ccc1C#N	ZINC001112680546	932184502	/nfs/dbraw/zinc/18/45/02/932184502.db2.gz	MLIFFTUXHYESRL-NVXWUHKLSA-N	1	0	371.485	1.049	20	30		FDEDRO
c1cnn(-c2ccc(N=NC3CCOC[C@H]3C[NH+]3CCCCC3)nn2)c1	ZINC000787153728	932198426	/nfs/dbraw/zinc/19/84/26/932198426.db2.gz	PSOGWUZMJBTLQE-OAHLLOKOSA-N	1	0	355.446	1.953	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1	ZINC000787908138	932460616	/nfs/dbraw/zinc/46/06/16/932460616.db2.gz	CHTHBDGQIQDPMV-CHWSQXEVSA-N	1	0	374.323	1.886	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1	ZINC000788053130	932533179	/nfs/dbraw/zinc/53/31/79/932533179.db2.gz	SZEHTTZFKUGCNY-UHFFFAOYSA-N	1	0	355.398	1.034	20	30		FDEDRO
C[NH+](C)[C@@H]1CCCC(=NNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000788425609	932691919	/nfs/dbraw/zinc/69/19/19/932691919.db2.gz	SEGCILCRYGBVPF-OAHLLOKOSA-N	1	0	354.432	1.874	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)n1	ZINC000789023421	932917899	/nfs/dbraw/zinc/91/78/99/932917899.db2.gz	WLXZDWYIOAKQMK-IBGZPJMESA-N	1	0	373.501	1.691	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1C#N	ZINC000790191684	933405930	/nfs/dbraw/zinc/40/59/30/933405930.db2.gz	WJTIWBKVGOPADO-CQSZACIVSA-N	1	0	358.442	1.031	20	30		FDEDRO
O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CCN([C@H]2CCOC2)CC1	ZINC000790768480	933712464	/nfs/dbraw/zinc/71/24/64/933712464.db2.gz	RYFCTLMMWNTOPY-INIZCTEOSA-N	1	0	352.356	1.990	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)C1	ZINC001086591424	933768412	/nfs/dbraw/zinc/76/84/12/933768412.db2.gz	LELMCHZEBLTLGV-GBESFXJTSA-N	1	0	371.481	1.252	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2nc(C)c(C)[nH]c2=O)C1	ZINC001086594425	933881928	/nfs/dbraw/zinc/88/19/28/933881928.db2.gz	YKBACTLKQRQNJM-ZWKOTPCHSA-N	1	0	364.449	1.608	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC2CS(=O)(=O)C2)C1	ZINC001086596308	933915882	/nfs/dbraw/zinc/91/58/82/933915882.db2.gz	VKKURBONSNFFGI-ZWKOTPCHSA-N	1	0	362.495	1.581	20	30		FDEDRO
Cc1nc2c([nH]1)C[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@H]1c1ccccc1)CC2	ZINC001086596066	933926478	/nfs/dbraw/zinc/92/64/78/933926478.db2.gz	IWXCSZWSXAGSSQ-ABSDTBQOSA-N	1	0	363.465	1.931	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)C1	ZINC001086597859	933980283	/nfs/dbraw/zinc/98/02/83/933980283.db2.gz	CRQYKJDASRZWQD-OKZBNKHCSA-N	1	0	356.470	1.547	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc3nnnn3c2)C1	ZINC001086599486	934030667	/nfs/dbraw/zinc/03/06/67/934030667.db2.gz	RTQFNTNQVNMNQJ-ZWKOTPCHSA-N	1	0	362.437	1.898	20	30		FDEDRO
C#CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1	ZINC001086600447	934081948	/nfs/dbraw/zinc/08/19/48/934081948.db2.gz	UIMCTBZCTVAJAG-LBQNXCCASA-N	1	0	365.477	1.067	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccn3nnnc3c2)C1	ZINC001086602953	934193989	/nfs/dbraw/zinc/19/39/89/934193989.db2.gz	BEDTUCUPOBITQL-ZWKOTPCHSA-N	1	0	362.437	1.898	20	30		FDEDRO
C[N@@H+]1CC[C@@]2(CCN(CN3C(=O)N[C@@](C)(c4cccc(C#N)c4)C3=O)C2)C1	ZINC000793762999	934251180	/nfs/dbraw/zinc/25/11/80/934251180.db2.gz	CKUSPAYBWBXFLK-VQTJNVASSA-N	1	0	367.453	1.310	20	30		FDEDRO
CCOC(=O)CN(CC[NH3+])c1nc(C#N)c(C#N)nc1-c1ccccc1	ZINC001170992186	945072668	/nfs/dbraw/zinc/07/26/68/945072668.db2.gz	BBDYKVQKDWONBR-UHFFFAOYSA-N	1	0	350.382	1.215	20	30		FDEDRO
C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn([C@@H]3CCOC3)nn2)C1	ZINC001086619021	938345003	/nfs/dbraw/zinc/34/50/03/938345003.db2.gz	VXIOPRJYQHKBGG-FGTMMUONSA-N	1	0	367.453	1.623	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCCN(C)C2=O)C1	ZINC001086619235	938354004	/nfs/dbraw/zinc/35/40/04/938354004.db2.gz	GGWWYSAGNGTVIZ-HSALFYBXSA-N	1	0	367.493	1.852	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)COc2ccccc2CC)[C@@H](n2ccnn2)C1	ZINC001129417619	938409309	/nfs/dbraw/zinc/40/93/09/938409309.db2.gz	IBJZEXHSDOALFC-MSOLQXFVSA-N	1	0	369.469	1.837	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CCOc2cccc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129445413	938418334	/nfs/dbraw/zinc/41/83/34/938418334.db2.gz	LTNNUKJJKLAODQ-MOPGFXCFSA-N	1	0	367.453	1.420	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2ccn(C)n2)[C@@H](n2ccnn2)C1	ZINC001129433576	938423399	/nfs/dbraw/zinc/42/33/99/938423399.db2.gz	HKEZJGCMHJGALZ-SJORKVTESA-N	1	0	357.462	1.413	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CCOc2ccccc2C)[C@@H](n2ccnn2)C1	ZINC001129433755	938424042	/nfs/dbraw/zinc/42/40/42/938424042.db2.gz	PYOTWPGFKOIHNJ-MSOLQXFVSA-N	1	0	367.453	1.420	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2c(C)cc(=O)[nH]c2C)[C@@H](n2ccnn2)C1	ZINC001129440920	938426297	/nfs/dbraw/zinc/42/62/97/938426297.db2.gz	FFUWLITXOABJGY-CVEARBPZSA-N	1	0	370.457	1.617	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2cnn(C)c2)[C@@H](n2ccnn2)C1	ZINC001129470571	938430209	/nfs/dbraw/zinc/43/02/09/938430209.db2.gz	LKBKZEIDRCFCIT-JQHSSLGASA-N	1	0	371.489	1.341	20	30		FDEDRO
O=C(C1CC1)N1C[C@@H]([NH2+]CC#Cc2ccc(F)cc2)[C@@H](n2ccnn2)C1	ZINC001129511074	938447144	/nfs/dbraw/zinc/44/71/44/938447144.db2.gz	IIEKLGLZNGBDCN-MSOLQXFVSA-N	1	0	353.401	1.220	20	30		FDEDRO
O=C(CC1CC1)N1C[C@@H]([NH2+]CC#Cc2ccc(F)cc2)[C@@H](n2ccnn2)C1	ZINC001129516132	938448152	/nfs/dbraw/zinc/44/81/52/938448152.db2.gz	IONXLHMBXNXLDP-MOPGFXCFSA-N	1	0	367.428	1.611	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccc(C)n2C)C[C@@H]1n1ccnn1	ZINC001129573918	938458938	/nfs/dbraw/zinc/45/89/38/938458938.db2.gz	ZLZAKZXBUAKZNR-KYJSFNMBSA-N	1	0	356.474	1.935	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]([NH2+][C@H]2CCc3ccccc32)[C@@H](n2ccnn2)C1	ZINC001129681730	938484409	/nfs/dbraw/zinc/48/44/09/938484409.db2.gz	XDXPARZELJMZEH-OTWHNJEPSA-N	1	0	367.453	1.510	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]CCCc2cccc(F)c2)[C@@H](n2ccnn2)C1	ZINC001129677205	938490690	/nfs/dbraw/zinc/49/06/90/938490690.db2.gz	ACMOCLQGJIDPQT-OLMNPRSZSA-N	1	0	370.432	1.551	20	30		FDEDRO
CC(C)(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1n1ccnn1	ZINC001129778588	938513881	/nfs/dbraw/zinc/51/38/81/938513881.db2.gz	XMTXSLWUCKEKDW-CVEARBPZSA-N	1	0	355.446	1.569	20	30		FDEDRO
CC(C)OCCC[NH2+][C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1n1ccnn1	ZINC001129817140	938521022	/nfs/dbraw/zinc/52/10/22/938521022.db2.gz	SDBLNYIUAVOBQK-SJORKVTESA-N	1	0	361.490	1.484	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)CC2(O)CCC2)C[C@@H]1n1ccnn1	ZINC001129824956	938522679	/nfs/dbraw/zinc/52/26/79/938522679.db2.gz	HWARPPXSVZWAHW-SJORKVTESA-N	1	0	361.490	1.671	20	30		FDEDRO
Cc1ccc(F)cc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1n1ccnn1	ZINC001129825023	938522911	/nfs/dbraw/zinc/52/29/11/938522911.db2.gz	KRHQTVHFTGOIRW-MOPGFXCFSA-N	1	0	369.444	1.927	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]nc3c2CCCC3)C[C@@H]1n1ccnn1	ZINC001129844096	938525081	/nfs/dbraw/zinc/52/50/81/938525081.db2.gz	BOYGLJBZJPVTPB-MSOLQXFVSA-N	1	0	369.473	1.040	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CCNC(=O)C[C@@H]2C[C@H]2c2ccc(OC)cc2)C1=O	ZINC001129845516	938525658	/nfs/dbraw/zinc/52/56/58/938525658.db2.gz	HBUPYBNOPBMTQQ-YTQUADARSA-N	1	0	371.481	1.682	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC=C(C)C)[C@@H](n2ccnn2)C1	ZINC001129855578	938528595	/nfs/dbraw/zinc/52/85/95/938528595.db2.gz	NYPYYYIUDGCQOM-BDXSIMOUSA-N	1	0	359.474	1.567	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C[C@@H]1n1ccnn1	ZINC001129858205	938529935	/nfs/dbraw/zinc/52/99/35/938529935.db2.gz	QYPAVPCAQGKBIE-ZRSRNVLSSA-N	1	0	371.485	1.425	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2ccc(C)cc2)[C@@H](n2ccnn2)C1	ZINC001129838136	938535326	/nfs/dbraw/zinc/53/53/26/938535326.db2.gz	RSQRTRZSMIKRBC-UHOSZYNNSA-N	1	0	367.453	1.167	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc3occc3[nH]2)C[C@@H]1n1ccnn1	ZINC001129879251	938536504	/nfs/dbraw/zinc/53/65/04/938536504.db2.gz	ZBMHDPQBWFJZAW-CVEARBPZSA-N	1	0	354.414	1.974	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCCC2CCOCC2)C[C@@H]1n1ccnn1	ZINC001129887790	938540449	/nfs/dbraw/zinc/54/04/49/938540449.db2.gz	RETDMAQSMSNPKQ-MSOLQXFVSA-N	1	0	359.474	1.240	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3c(o2)CCCC3)C[C@@H]1n1ccnn1	ZINC001129890495	938541436	/nfs/dbraw/zinc/54/14/36/938541436.db2.gz	LHNFJBNXMOIFMG-CVEARBPZSA-N	1	0	353.426	1.429	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2conc2C2CCCC2)C[C@@H]1n1ccnn1	ZINC001129890604	938541743	/nfs/dbraw/zinc/54/17/43/938541743.db2.gz	PZRAWTVFUXQGFE-SJORKVTESA-N	1	0	368.441	1.602	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2ccccc2F)C[C@@H]1n1ccnn1	ZINC001129867828	938544172	/nfs/dbraw/zinc/54/41/72/938544172.db2.gz	YBEXHPMZUQVIDR-UAGQMJEPSA-N	1	0	371.416	1.250	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2CC)C[C@@H]1n1ccnn1	ZINC001129905451	938548272	/nfs/dbraw/zinc/54/82/72/938548272.db2.gz	YJXAZTMONBSJLT-OLMNPRSZSA-N	1	0	371.489	1.584	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)nn2CC)C[C@@H]1n1ccnn1	ZINC001129907088	938549073	/nfs/dbraw/zinc/54/90/73/938549073.db2.gz	PVZZGNUZLQPBNC-AEFFLSMTSA-N	1	0	367.457	1.051	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001129912407	938551248	/nfs/dbraw/zinc/55/12/48/938551248.db2.gz	DDVGYITWTXOQEF-MSOLQXFVSA-N	1	0	355.442	1.065	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(C(F)(F)F)CCC2)C[C@@H]1n1ccnn1	ZINC001129912372	938551288	/nfs/dbraw/zinc/55/12/88/938551288.db2.gz	BFQDHCSRLBDLOL-OLZOCXBDSA-N	1	0	355.364	1.376	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]([NH2+]C[C@H](F)CC)[C@@H](n2ccnn2)C1	ZINC001129894864	938556113	/nfs/dbraw/zinc/55/61/13/938556113.db2.gz	VQARTFHASFSNHU-INMHGKMJSA-N	1	0	360.437	1.669	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)COCC2CCCC2)C[C@@H]1n1ccnn1	ZINC001129895545	938556957	/nfs/dbraw/zinc/55/69/57/938556957.db2.gz	BOZOYLBVTZPOLX-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C/C=C\Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001129897836	938558548	/nfs/dbraw/zinc/55/85/48/938558548.db2.gz	JPXUUXUFEHZGMN-KGMDJONISA-N	1	0	363.465	1.832	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)n2ccnc2)C[C@@H]1n1ccnn1	ZINC001129902274	938561010	/nfs/dbraw/zinc/56/10/10/938561010.db2.gz	BZBWLBKFWMTAAL-KURKYZTESA-N	1	0	369.473	1.127	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2c(C)ncn2C)C[C@@H]1n1ccnn1	ZINC001129902581	938561731	/nfs/dbraw/zinc/56/17/31/938561731.db2.gz	TXEGOTVCJUZAEP-IMJJTQAJSA-N	1	0	357.462	1.330	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2cccc(OC)c2)C[C@@H]1n1ccnn1	ZINC001129932153	938562356	/nfs/dbraw/zinc/56/23/56/938562356.db2.gz	OSCRCHKJPDGYOR-MOPGFXCFSA-N	1	0	367.453	1.284	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)cc(Cl)c2)C[C@@H]1n1ccnn1	ZINC001129932430	938562617	/nfs/dbraw/zinc/56/26/17/938562617.db2.gz	XWKBBSMDIRIFMZ-SJORKVTESA-N	1	0	357.845	1.919	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@H]1n1ccnn1	ZINC001129938160	938564856	/nfs/dbraw/zinc/56/48/56/938564856.db2.gz	PCMNEFRURXXYNM-AXSMETJDSA-N	1	0	357.458	1.009	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCC[N@H+]2CCC)c1	ZINC000804778097	938566089	/nfs/dbraw/zinc/56/60/89/938566089.db2.gz	MMSLYILRCYNSJQ-INIZCTEOSA-N	1	0	363.483	1.202	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C[C@@H]1n1ccnn1	ZINC001129941074	938566378	/nfs/dbraw/zinc/56/63/78/938566378.db2.gz	INRLYMCOCNISCM-ZRSRNVLSSA-N	1	0	371.485	1.096	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2c(C)n[nH]c2C)C[C@@H]1n1ccnn1	ZINC001129921013	938568324	/nfs/dbraw/zinc/56/83/24/938568324.db2.gz	KSIKCUZWTUUYSB-XKQJLSEDSA-N	1	0	369.473	1.177	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2ccnnc2C)C[C@@H]1n1ccnn1	ZINC001129923447	938569259	/nfs/dbraw/zinc/56/92/59/938569259.db2.gz	CRGUYNYARXCXOF-MSOLQXFVSA-N	1	0	369.473	1.778	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn3ccc(C)cc3n2)C[C@@H]1n1ccnn1	ZINC001129924538	938570274	/nfs/dbraw/zinc/57/02/74/938570274.db2.gz	AGHKRIRHKYVHFU-WBVHZDCISA-N	1	0	365.441	1.466	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2c(C)nn(C)c2C)C[C@@H]1n1ccnn1	ZINC001129949009	938573821	/nfs/dbraw/zinc/57/38/21/938573821.db2.gz	KPFKTOLOFNYKIX-MSOLQXFVSA-N	1	0	371.489	1.179	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCc2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001129948993	938573826	/nfs/dbraw/zinc/57/38/26/938573826.db2.gz	JSPVRIHJCZBHCW-QRQLOZEOSA-N	1	0	367.453	1.167	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]([NH2+]CCO[C@H]2CC2(F)F)[C@@H](n2ccnn2)C1	ZINC001129959376	938577959	/nfs/dbraw/zinc/57/79/59/938577959.db2.gz	SWYYSAFLJHGFIB-RDBSUJKOSA-N	1	0	369.416	1.256	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccnc3ccncc32)C[C@@H]1n1ccnn1	ZINC001129945292	938580455	/nfs/dbraw/zinc/58/04/55/938580455.db2.gz	HRPKUGXMCFYWSD-MSOLQXFVSA-N	1	0	363.425	1.453	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CC2CC(C)(C)C2)C[C@@H]1n1ccnn1	ZINC001129972683	938591644	/nfs/dbraw/zinc/59/16/44/938591644.db2.gz	IVRMSMMUBSEJQC-SJORKVTESA-N	1	0	361.490	1.649	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2c(F)cccc2F)C[C@@H]1n1ccnn1	ZINC001129982628	938597235	/nfs/dbraw/zinc/59/72/35/938597235.db2.gz	GJAUEXHFXKYKGG-SJORKVTESA-N	1	0	359.380	1.164	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H]([NH2+]CC2CCOCC2)[C@@H](n2ccnn2)C1	ZINC001129976574	938600973	/nfs/dbraw/zinc/60/09/73/938600973.db2.gz	RFYHFLYXCRBSAB-JQHSSLGASA-N	1	0	361.490	1.649	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(F)ccc(F)c2F)C[C@@H]1n1ccnn1	ZINC001129988319	938611304	/nfs/dbraw/zinc/61/13/04/938611304.db2.gz	MHVHWMSZZYPSRC-KGLIPLIRSA-N	1	0	363.343	1.374	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc3nonc3c2)C[C@@H]1n1ccnn1	ZINC001129988531	938611562	/nfs/dbraw/zinc/61/15/62/938611562.db2.gz	XEAWOJGYOZYYAJ-SJORKVTESA-N	1	0	367.413	1.436	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(F)c(N3C(=O)CCC3=O)c2)CC1	ZINC000804898578	938611880	/nfs/dbraw/zinc/61/18/80/938611880.db2.gz	MUOQSWKZLIATBZ-UHFFFAOYSA-N	1	0	357.385	1.763	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccnc2)C[C@@H]1n1ccnn1	ZINC001130015248	938616656	/nfs/dbraw/zinc/61/66/56/938616656.db2.gz	NXQCIODNOMCUFA-MLHJIOFPSA-N	1	0	352.442	1.394	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cccnc2C)C[C@@H]1n1ccnn1	ZINC001130005713	938622665	/nfs/dbraw/zinc/62/26/65/938622665.db2.gz	DZWNXRYYTQMTNW-IPELMVKDSA-N	1	0	368.485	1.920	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccn3cc(C)nc3c2)C[C@@H]1n1ccnn1	ZINC001130005979	938623484	/nfs/dbraw/zinc/62/34/84/938623484.db2.gz	NOGRCWFZDSCRJI-SJORKVTESA-N	1	0	365.441	1.466	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2cccnc2)C[C@@H]1n1ccnn1	ZINC001130006237	938623699	/nfs/dbraw/zinc/62/36/99/938623699.db2.gz	YVUYMJZNGBOUNZ-UAGQMJEPSA-N	1	0	356.430	1.058	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cscn2)C[C@@H]1n1ccnn1	ZINC001130027927	938630183	/nfs/dbraw/zinc/63/01/83/938630183.db2.gz	COMJHVJVBJADLV-IMJJTQAJSA-N	1	0	360.487	1.674	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2C)C[C@@H]1n1ccnn1	ZINC001130034352	938634620	/nfs/dbraw/zinc/63/46/20/938634620.db2.gz	MMRMXZHCRVFDQO-NMLBUPMWSA-N	1	0	363.465	1.755	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2sc(CC)nc2C)C[C@@H]1n1ccnn1	ZINC001130038165	938636330	/nfs/dbraw/zinc/63/63/30/938636330.db2.gz	PIKZOBVVLQODEH-KGLIPLIRSA-N	1	0	360.487	1.837	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc3cccnc3c2)C[C@@H]1n1ccnn1	ZINC001130046770	938645894	/nfs/dbraw/zinc/64/58/94/938645894.db2.gz	RSLKOWCEMMNGOV-MOPGFXCFSA-N	1	0	360.421	1.505	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C)cc2=O)C[C@@H]1n1ccnn1	ZINC001130070894	938658050	/nfs/dbraw/zinc/65/80/50/938658050.db2.gz	KNZUGSLYHVRWMP-XYPHTWIQSA-N	1	0	370.457	1.285	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@@H]1n1ccnn1	ZINC001130086378	938667634	/nfs/dbraw/zinc/66/76/34/938667634.db2.gz	YUQUMMXCRWRVPP-OAGGEKHMSA-N	1	0	371.489	1.675	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2ccco2)C[C@@H]1n1ccnn1	ZINC001130088886	938675199	/nfs/dbraw/zinc/67/51/99/938675199.db2.gz	NNNVOKSHNXYNLQ-BBWFWOEESA-N	1	0	371.441	1.056	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]CC/C=C/CC)[C@@H](n3ccnn3)C2)cn1	ZINC001130091473	938676804	/nfs/dbraw/zinc/67/68/04/938676804.db2.gz	VSOSDIGLQXRCJY-YSKLNCTFSA-N	1	0	364.453	1.666	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(Cl)no2)C[C@@H]1n1ccnn1	ZINC001130096219	938680674	/nfs/dbraw/zinc/68/06/74/938680674.db2.gz	BGQVBWSBIPSWHH-UPJWGTAASA-N	1	0	364.837	1.930	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)cc(C)c2)C[C@@H]1n1ccnn1	ZINC001130102309	938684567	/nfs/dbraw/zinc/68/45/67/938684567.db2.gz	QXSAOZWZKSMCFA-MOPGFXCFSA-N	1	0	367.453	1.200	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C3CC3)cn2)C[C@@H]1n1ccnn1	ZINC001130107366	938687172	/nfs/dbraw/zinc/68/71/72/938687172.db2.gz	METGNFSZHXOCFI-MSOLQXFVSA-N	1	0	352.442	1.782	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2sc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001130107582	938687624	/nfs/dbraw/zinc/68/76/24/938687624.db2.gz	RKTWNTFPRIZNQF-CVEARBPZSA-N	1	0	357.483	1.564	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc3c(cn2)OCCC3)C[C@@H]1n1ccnn1	ZINC001130109541	938688446	/nfs/dbraw/zinc/68/84/46/938688446.db2.gz	ACJOWGMXEFJTBQ-SJORKVTESA-N	1	0	368.441	1.230	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COc2ccccc2C)C[C@@H]1n1ccnn1	ZINC001130112639	938692347	/nfs/dbraw/zinc/69/23/47/938692347.db2.gz	KHQFOMAAUGXJPU-SJORKVTESA-N	1	0	353.426	1.030	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001130112771	938692700	/nfs/dbraw/zinc/69/27/00/938692700.db2.gz	QSCZARYQLLHVNE-UHOSZYNNSA-N	1	0	369.469	1.972	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCCc2cccs2)C[C@@H]1n1ccnn1	ZINC001130115061	938694577	/nfs/dbraw/zinc/69/45/77/938694577.db2.gz	RTUIVDXRMRGRQO-SJORKVTESA-N	1	0	357.483	1.727	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)n(C(C)(C)C)n2)C[C@@H]1n1ccnn1	ZINC001130127670	938697673	/nfs/dbraw/zinc/69/76/73/938697673.db2.gz	DAMFDVVXVDKPOJ-SJORKVTESA-N	1	0	369.473	1.217	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)n(C(C)C)c2C)C[C@@H]1n1ccnn1	ZINC001130118516	938701687	/nfs/dbraw/zinc/70/16/87/938701687.db2.gz	JMSLXGRFHCPLFJ-MOPGFXCFSA-N	1	0	368.485	1.956	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2ccccc2F)C[C@@H]1n1ccnn1	ZINC001130118503	938701766	/nfs/dbraw/zinc/70/17/66/938701766.db2.gz	INSKPDFRZLADQV-MSOLQXFVSA-N	1	0	355.417	1.415	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COc2cc(C)ccc2C)C[C@@H]1n1ccnn1	ZINC001130122946	938705090	/nfs/dbraw/zinc/70/50/90/938705090.db2.gz	CRYMUAAVRHEWPA-MSOLQXFVSA-N	1	0	367.453	1.339	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C23CC(C(F)(F)F)(C2)C3)C[C@@H]1n1ccnn1	ZINC001130139616	938711758	/nfs/dbraw/zinc/71/17/58/938711758.db2.gz	FGAKZDQDPHJVQV-SQHUISNBSA-N	1	0	369.391	1.928	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]([NH2+]CCC2CCCC2)[C@@H](n2ccnn2)C1	ZINC001130151553	938715966	/nfs/dbraw/zinc/71/59/66/938715966.db2.gz	XFRAWYIUKVWPOX-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]([NH2+][C@H](C)COC)[C@@H](n3ccnn3)C2)CCCC1	ZINC001130163789	938722111	/nfs/dbraw/zinc/72/21/11/938722111.db2.gz	RJJBKTVFBPIHKM-ZACQAIPSSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]([NH2+]Cc2ccccc2C)[C@@H](n2ccnn2)C1	ZINC001130148478	938722678	/nfs/dbraw/zinc/72/26/78/938722678.db2.gz	RALMIVDNSPULPE-MOPGFXCFSA-N	1	0	369.469	1.721	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(F)cc2)[nH]1	ZINC001130181207	938728121	/nfs/dbraw/zinc/72/81/21/938728121.db2.gz	AZDJWICIXJIRKJ-HOTGVXAUSA-N	1	0	371.416	1.359	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccncc2)[nH]1	ZINC001130181446	938728553	/nfs/dbraw/zinc/72/85/53/938728553.db2.gz	IDSWIRBVZOEJHJ-HOTGVXAUSA-N	1	0	370.457	1.558	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccccc2O)[nH]1	ZINC001130186430	938731971	/nfs/dbraw/zinc/73/19/71/938731971.db2.gz	CSYWEUKQWFMPGB-HOCLYGCPSA-N	1	0	371.441	1.479	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CSCCC)[nH]1	ZINC001130186454	938732280	/nfs/dbraw/zinc/73/22/80/938732280.db2.gz	DIQZGPFQBYVOTF-KBPBESRZSA-N	1	0	367.519	1.602	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)/C=C(\C)C2CC2)n1	ZINC001130186591	938732328	/nfs/dbraw/zinc/73/23/28/938732328.db2.gz	GIWFSHFEHITDAQ-TZCWYCDXSA-N	1	0	357.458	1.263	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCSCC)[nH]1	ZINC001130188024	938734459	/nfs/dbraw/zinc/73/44/59/938734459.db2.gz	VNTLSJUGLWEHRJ-KBPBESRZSA-N	1	0	365.503	1.050	20	30		FDEDRO
CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c[nH]c(C#N)c2)[nH]1	ZINC001130205008	938745624	/nfs/dbraw/zinc/74/56/24/938745624.db2.gz	PKXYSXLUAZEPAV-GJZGRUSLSA-N	1	0	371.445	1.197	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(CC(C)C)CC2)[nH]1	ZINC001130215804	938752356	/nfs/dbraw/zinc/75/23/56/938752356.db2.gz	HJGBSZILXNVBOD-GJZGRUSLSA-N	1	0	361.490	1.895	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H](C)SC)[nH]1	ZINC001130200823	938754608	/nfs/dbraw/zinc/75/46/08/938754608.db2.gz	XSMXRORQZRQGIA-IHRRRGAJSA-N	1	0	367.519	1.601	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2ccccc2)[nH]1	ZINC001130220707	938756226	/nfs/dbraw/zinc/75/62/26/938756226.db2.gz	JONMTFUXHGBMDF-IRXDYDNUSA-N	1	0	367.453	1.149	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(F)CCCC2)[nH]1	ZINC001130220847	938756432	/nfs/dbraw/zinc/75/64/32/938756432.db2.gz	ODXRDHNWYUBYGH-KBPBESRZSA-N	1	0	365.453	1.741	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@](C)(F)CCCC)[nH]1	ZINC001130223471	938757460	/nfs/dbraw/zinc/75/74/60/938757460.db2.gz	VUFSJZUIQCZJID-SUNYJGFJSA-N	1	0	367.469	1.987	20	30		FDEDRO
C=CC(C)(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCOC)[nH]1	ZINC001130227594	938761278	/nfs/dbraw/zinc/76/12/78/938761278.db2.gz	FTGAXDWNYPSSPH-KBPBESRZSA-N	1	0	365.478	1.132	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](F)c2ccccc2)n1	ZINC001130240338	938762826	/nfs/dbraw/zinc/76/28/26/938762826.db2.gz	OUKLHHFOTOAMPX-YQQAZPJKSA-N	1	0	371.416	1.227	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCC2(C)C)n1	ZINC001130230317	938763856	/nfs/dbraw/zinc/76/38/56/938763856.db2.gz	RTZMZHHZFWFWMR-ZNMIVQPWSA-N	1	0	359.474	1.343	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C)ccc2F)n1	ZINC001130242336	938769615	/nfs/dbraw/zinc/76/96/15/938769615.db2.gz	RQPRSACXUYWKLA-BBRMVZONSA-N	1	0	371.416	1.278	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@](C)(CC)CCC)n1	ZINC001130244869	938770585	/nfs/dbraw/zinc/77/05/85/938770585.db2.gz	OMARBGQURKXAMH-YZVOILCLSA-N	1	0	361.490	1.733	20	30		FDEDRO
N#Cc1cccc(C[NH2+]CCNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)c1	ZINC001130255545	938776474	/nfs/dbraw/zinc/77/64/74/938776474.db2.gz	QXTDLTYMHHIVIX-KGLIPLIRSA-N	1	0	357.332	1.110	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@H](C)SC)CC1	ZINC001130281350	938779450	/nfs/dbraw/zinc/77/94/50/938779450.db2.gz	ISXQJQJDTKAONB-GMBSWORKSA-N	1	0	365.543	1.627	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCOCC)CC1	ZINC001130287711	938792415	/nfs/dbraw/zinc/79/24/15/938792415.db2.gz	AMGVGXOGAJIXCB-XLIONFOSSA-N	1	0	363.502	1.302	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C(C)C)CC1	ZINC001130288008	938792635	/nfs/dbraw/zinc/79/26/35/938792635.db2.gz	HMRDSSYNZJCEDP-AYOQOUSVSA-N	1	0	351.491	1.197	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2ccccn2)CC1	ZINC001130295867	938798307	/nfs/dbraw/zinc/79/83/07/938798307.db2.gz	WIJNYZSYUGJZNC-NQIIRXRSSA-N	1	0	368.481	1.123	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2(CCF)CC2)CC1	ZINC001130298803	938799053	/nfs/dbraw/zinc/79/90/53/938799053.db2.gz	HJUYAZUVTYZGJQ-AEFFLSMTSA-N	1	0	363.477	1.625	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2(C(C)C)CC2)CC1	ZINC001130298948	938799271	/nfs/dbraw/zinc/79/92/71/938799271.db2.gz	ODXWJKSOXKSBGB-MJGOQNOKSA-N	1	0	359.514	1.921	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCOC)CC1	ZINC001130299086	938799337	/nfs/dbraw/zinc/79/93/37/938799337.db2.gz	WPYWMHKYIMNBAQ-MDYRTPRTSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](CC(C)C)OC)CC1	ZINC001130301960	938800523	/nfs/dbraw/zinc/80/05/23/938800523.db2.gz	LCPZFWCQNYPHIY-AOIWGVFYSA-N	1	0	365.518	1.709	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@@H](C)n2cccc2)CC1	ZINC001130307647	938805454	/nfs/dbraw/zinc/80/54/54/938805454.db2.gz	WWPHQAWOKAHEQL-BLIXFSHQSA-N	1	0	370.497	1.548	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1)c1ccncc1	ZINC000805806177	938829840	/nfs/dbraw/zinc/82/98/40/938829840.db2.gz	JZXOURRWGILOKW-FUHWJXTLSA-N	1	0	358.486	1.909	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccncc1	ZINC000805809999	938830754	/nfs/dbraw/zinc/83/07/54/938830754.db2.gz	BEFBQRSLXCPEAR-WMZOPIPTSA-N	1	0	374.485	1.432	20	30		FDEDRO
C=CCOCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2OCC[C@H]2C)C1	ZINC001130423283	938844300	/nfs/dbraw/zinc/84/43/00/938844300.db2.gz	NTWYJCXPWVYSPK-VKJFTORMSA-N	1	0	362.474	1.443	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1c[nH]nc1[C@H]1CC[N@@H+](CCOCC)C1	ZINC001130423949	938844343	/nfs/dbraw/zinc/84/43/43/938844343.db2.gz	YCQOYTWNGMYTLI-UAGQMJEPSA-N	1	0	362.474	1.443	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2cncnc2)C[C@H]1c1cn(C)cn1	ZINC001130573922	939874179	/nfs/dbraw/zinc/87/41/79/939874179.db2.gz	GMLXWSVLYGYDLA-FUHWJXTLSA-N	1	0	354.458	1.303	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1c1cn(C)cn1	ZINC001130578362	939890471	/nfs/dbraw/zinc/89/04/71/939890471.db2.gz	JLQCYFZRFAIWFG-DOTOQJQBSA-N	1	0	371.489	1.493	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)=C2CCC2)C[C@H]1c1cn(C)cn1	ZINC001130580385	939892752	/nfs/dbraw/zinc/89/27/52/939892752.db2.gz	CAHBJLOVLSYMNF-FUHWJXTLSA-N	1	0	371.485	1.107	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCc2csc(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130590400	939897021	/nfs/dbraw/zinc/89/70/21/939897021.db2.gz	ODLCIKASYUEOIZ-FUHWJXTLSA-N	1	0	371.510	1.725	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCOC(C)C)C1	ZINC001130590474	939897093	/nfs/dbraw/zinc/89/70/93/939897093.db2.gz	RLISVKPNMFCZHJ-PKOBYXMFSA-N	1	0	360.502	1.779	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(CC)ccn2)C[C@H]1c1cn(C)cn1	ZINC001130601145	939903928	/nfs/dbraw/zinc/90/39/28/939903928.db2.gz	WEEGURJRYPEXTI-QFBILLFUSA-N	1	0	351.454	1.599	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3cc[nH]c3n2)C[C@H]1c1cn(C)cn1	ZINC001130611898	939909718	/nfs/dbraw/zinc/90/97/18/939909718.db2.gz	KNEMGAFFWCQWCP-MAUKXSAKSA-N	1	0	362.437	1.518	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1c1cn(C)cn1	ZINC001130614922	939912349	/nfs/dbraw/zinc/91/23/49/939912349.db2.gz	HPUGOVLFINWQFB-UKPHBRMFSA-N	1	0	370.457	1.468	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1c1cn(C)cn1	ZINC001130605152	939916778	/nfs/dbraw/zinc/91/67/78/939916778.db2.gz	WJKIZZOSIRGQGT-DOTOQJQBSA-N	1	0	364.465	1.789	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCCC3)C[C@H]1c1cn(C)cn1	ZINC001130615539	939918559	/nfs/dbraw/zinc/91/85/59/939918559.db2.gz	VGPIMYOWMWRLII-QFBILLFUSA-N	1	0	366.469	1.174	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@H](C)OC)C1	ZINC001130607923	939919601	/nfs/dbraw/zinc/91/96/01/939919601.db2.gz	RPNILFRHMRQFHN-XYJFISCASA-N	1	0	371.485	1.640	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(CC)n2)C[C@H]1c1cn(C)cn1	ZINC001130607901	939919668	/nfs/dbraw/zinc/91/96/68/939919668.db2.gz	QJDFIGJADIMBBX-QFBILLFUSA-N	1	0	351.454	1.599	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccncc2CC)C[C@H]1c1cn(C)cn1	ZINC001130619402	939930184	/nfs/dbraw/zinc/93/01/84/939930184.db2.gz	PPZIYUJIKLKRCR-PKOBYXMFSA-N	1	0	351.454	1.599	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)cc(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130621742	939931246	/nfs/dbraw/zinc/93/12/46/939931246.db2.gz	BWRVXGVEQOUYTQ-QFBILLFUSA-N	1	0	351.454	1.653	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@]23C[C@H]2CCC3)C[C@H]1c1cn(C)cn1	ZINC001130632840	939936236	/nfs/dbraw/zinc/93/62/36/939936236.db2.gz	SVIJBSHUSIVHNY-YNVMFWSZSA-N	1	0	356.470	1.144	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCCc2c[nH]nn2)C[C@H]1c1cn(C)cn1	ZINC001130635320	939937805	/nfs/dbraw/zinc/93/78/05/939937805.db2.gz	UOIPCJHEVWPXTH-DOTOQJQBSA-N	1	0	357.462	1.021	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+][C@H](C)COC)C2)cc1	ZINC001130637986	939940223	/nfs/dbraw/zinc/94/02/23/939940223.db2.gz	WILPHZDDWPTOJR-MOXGXCLJSA-N	1	0	366.465	1.634	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@H]1c1cn(C)cn1	ZINC001130651898	939946226	/nfs/dbraw/zinc/94/62/26/939946226.db2.gz	ARWVYBXGULTXPP-YXJHDRRASA-N	1	0	350.438	1.399	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c(C)nc[nH]c2=O)C[C@H]1c1cn(C)cn1	ZINC001130652442	939946797	/nfs/dbraw/zinc/94/67/97/939946797.db2.gz	UYAPONWZQXWAEE-GOEBONIOSA-N	1	0	370.457	1.388	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnoc2C)C1	ZINC001130643992	939952120	/nfs/dbraw/zinc/95/21/20/939952120.db2.gz	AZEQAQWDPZNUGI-PKOBYXMFSA-N	1	0	369.469	1.994	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccnn2C)C1	ZINC001130644058	939952282	/nfs/dbraw/zinc/95/22/82/939952282.db2.gz	FDFIUODIUONVTG-PKOBYXMFSA-N	1	0	368.485	1.431	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2cccnc2)C[C@H]1c1cn(C)cn1	ZINC001130672107	939971170	/nfs/dbraw/zinc/97/11/70/939971170.db2.gz	HINNCCZYWOZVIB-HHXXYDBFSA-N	1	0	367.453	1.190	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+][C@H](C)COC)C2)c1	ZINC001130671984	939971195	/nfs/dbraw/zinc/97/11/95/939971195.db2.gz	FJIKJHZMKGTLFJ-DKSSEZFCSA-N	1	0	367.453	1.029	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2conc2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130675336	939973483	/nfs/dbraw/zinc/97/34/83/939973483.db2.gz	RTOKYTKTWOHJBC-WMLDXEAASA-N	1	0	353.426	1.507	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCc2ccncc2)C[C@H]1c1cn(C)cn1	ZINC001130677925	939974201	/nfs/dbraw/zinc/97/42/01/939974201.db2.gz	HZIWCEMYDDNOQR-VDZJLULYSA-N	1	0	369.469	1.490	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCCCO2)C[C@H]1c1cn(C)cn1	ZINC001130687592	939977220	/nfs/dbraw/zinc/97/72/20/939977220.db2.gz	HSXOUDHSELVQBT-ZIFCJYIRSA-N	1	0	358.486	1.677	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]cn2)C[C@H]1c1cn(C)cn1	ZINC001130689561	939979588	/nfs/dbraw/zinc/97/95/88/939979588.db2.gz	CQSYUAKZGCPECD-QILLFSRXSA-N	1	0	356.474	1.482	20	30		FDEDRO
C=CC1(CC(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCO)C2)CCCCC1	ZINC001130690133	939980047	/nfs/dbraw/zinc/98/00/47/939980047.db2.gz	YMTPCKGQEZNBIY-FUHWJXTLSA-N	1	0	360.502	1.823	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(CCC)on2)C[C@H]1c1cn(C)cn1	ZINC001130706527	939988309	/nfs/dbraw/zinc/98/83/09/939988309.db2.gz	KVDVLXXRKODBHV-MAUKXSAKSA-N	1	0	355.442	1.582	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ncccn2)C[C@H]1c1cn(C)cn1	ZINC001130701144	939996372	/nfs/dbraw/zinc/99/63/72/939996372.db2.gz	NJDDNJXZYLJCBI-HLLBOEOZSA-N	1	0	354.458	1.763	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cn(C(C)C)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130710253	939998349	/nfs/dbraw/zinc/99/83/49/939998349.db2.gz	RJYSDZHKWMQVME-PKOBYXMFSA-N	1	0	368.485	1.727	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@H]1c1cn(C)cn1	ZINC001130715110	940007539	/nfs/dbraw/zinc/00/75/39/940007539.db2.gz	TXMGQBZXCJXHHB-FUHWJXTLSA-N	1	0	369.469	1.283	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2cnccn2)C[C@H]1c1cn(C)cn1	ZINC001130708374	940013943	/nfs/dbraw/zinc/01/39/43/940013943.db2.gz	MNJFUESJIYBWEH-FUHWJXTLSA-N	1	0	354.458	1.303	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn3cc[nH]c23)C[C@H]1c1cn(C)cn1	ZINC001130719559	940023313	/nfs/dbraw/zinc/02/33/13/940023313.db2.gz	YGRGXWJKBJSPPV-GOEBONIOSA-N	1	0	353.430	1.170	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(N(C)C)c2)C[C@H]1c1cn(C)cn1	ZINC001130719677	940023509	/nfs/dbraw/zinc/02/35/09/940023509.db2.gz	ZORZKRRGCIHSQL-AZUAARDMSA-N	1	0	365.481	1.707	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@H]1c1cn(C)cn1	ZINC001130721310	940025083	/nfs/dbraw/zinc/02/50/83/940025083.db2.gz	ALPDSYGJUDFZMV-DOTOQJQBSA-N	1	0	355.442	1.685	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3cccnc3C2)C[C@H]1c1cn(C)cn1	ZINC001130721866	940026120	/nfs/dbraw/zinc/02/61/20/940026120.db2.gz	TYFQGSHAIPWABL-FUHIMQAGSA-N	1	0	363.465	1.137	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn3ccccc3n2)C[C@H]1c1cn(C)cn1	ZINC001130725771	940030391	/nfs/dbraw/zinc/03/03/91/940030391.db2.gz	DIUGQTAKMFIALQ-DOTOQJQBSA-N	1	0	364.453	1.842	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cn2ccnc2C)C[C@H]1c1cn(C)cn1	ZINC001130726417	940031384	/nfs/dbraw/zinc/03/13/84/940031384.db2.gz	XCLUHRHOTLZPRA-FUHWJXTLSA-N	1	0	356.474	1.475	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130726442	940031473	/nfs/dbraw/zinc/03/14/73/940031473.db2.gz	YKDFJJUDLBOINC-RLFYNMQTSA-N	1	0	356.474	1.706	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](F)Cc2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130733993	940034104	/nfs/dbraw/zinc/03/41/04/940034104.db2.gz	GBWVWPHLZXGBHY-CMKODMSKSA-N	1	0	368.456	1.908	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C[C@H]1c1cn(C)cn1	ZINC001130736957	940038126	/nfs/dbraw/zinc/03/81/26/940038126.db2.gz	RBILUOJBGYYQJD-MSOJEZNZSA-N	1	0	352.482	1.620	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C2(CC#C)CCCCC2)C[C@H]1c1cn(C)cn1	ZINC001130736934	940038168	/nfs/dbraw/zinc/03/81/68/940038168.db2.gz	QFJZCMQPEBDTRE-PKOBYXMFSA-N	1	0	352.482	1.911	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(C)s2)C[C@H]1c1cn(C)cn1	ZINC001130736970	940038394	/nfs/dbraw/zinc/03/83/94/940038394.db2.gz	RSBISYSGOAGYGJ-FUHWJXTLSA-N	1	0	356.495	1.940	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COc3ccccc32)C[C@H]1c1cn(C)cn1	ZINC001130739784	940041662	/nfs/dbraw/zinc/04/16/62/940041662.db2.gz	OIMRLCNCLOMWOJ-YQVWRLOYSA-N	1	0	364.449	1.504	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(=O)[nH]c2C)C[C@H]1c1cn(C)cn1	ZINC001130731669	940045170	/nfs/dbraw/zinc/04/51/70/940045170.db2.gz	KRWYXSYQZAGZMF-DOTOQJQBSA-N	1	0	369.469	1.911	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH]nc3C2)C[C@H]1c1cn(C)cn1	ZINC001130731743	940045290	/nfs/dbraw/zinc/04/52/90/940045290.db2.gz	NTHKEDIXLZTAEI-SIXWZSSISA-N	1	0	368.485	1.408	20	30		FDEDRO
CCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]Cc3cccc(C#N)c3)O2)n[nH]1	ZINC001130744771	940048601	/nfs/dbraw/zinc/04/86/01/940048601.db2.gz	KKQNMCLPSPYBHO-JKSUJKDBSA-N	1	0	368.441	1.712	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC23CCOCC3)C[C@H]1c1cn(C)cn1	ZINC001130744985	940049153	/nfs/dbraw/zinc/04/91/53/940049153.db2.gz	PDCZHMQSXHGRLL-LZLYRXPVSA-N	1	0	356.470	1.144	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C2CCOCC2)C[C@H]1c1cn(C)cn1	ZINC001130749387	940055006	/nfs/dbraw/zinc/05/50/06/940055006.db2.gz	GKRFJOHNCBUCNJ-VDZJLULYSA-N	1	0	358.486	1.390	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC3CCCC3)n2)O1	ZINC001130752876	940060610	/nfs/dbraw/zinc/06/06/10/940060610.db2.gz	FNPLRDXSBDXOKB-JKSUJKDBSA-N	1	0	359.474	1.834	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(C)o3)n2)O1	ZINC001130753036	940061868	/nfs/dbraw/zinc/06/18/68/940061868.db2.gz	NRUQTSGYAJMICJ-UONOGXRCSA-N	1	0	357.414	1.469	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CSCCC)n2)O1	ZINC001130761627	940067368	/nfs/dbraw/zinc/06/73/68/940067368.db2.gz	DSOYKSYFRSUKIZ-UONOGXRCSA-N	1	0	367.519	1.950	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3ccsc3)n2)O1	ZINC001130756538	940079501	/nfs/dbraw/zinc/07/95/01/940079501.db2.gz	MRMMGTJXPRVQSY-UONOGXRCSA-N	1	0	361.471	1.721	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COCC)n2)O1	ZINC001130758248	940083740	/nfs/dbraw/zinc/08/37/40/940083740.db2.gz	VQQUEIXVJASFNP-UONOGXRCSA-N	1	0	351.451	1.233	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C)n[nH]3)n2)O1	ZINC001130759622	940086604	/nfs/dbraw/zinc/08/66/04/940086604.db2.gz	BUHKXJORZHKXSU-GXTWGEPZSA-N	1	0	359.434	1.152	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cncc(F)c3)n2)O1	ZINC001130775362	940092938	/nfs/dbraw/zinc/09/29/38/940092938.db2.gz	SHBJEBBPROODTN-UONOGXRCSA-N	1	0	360.393	1.265	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCOCC)n2)O1	ZINC001130765547	940097119	/nfs/dbraw/zinc/09/71/19/940097119.db2.gz	XJIWSVDEEYLJPZ-LSDHHAIUSA-N	1	0	365.478	1.623	20	30		FDEDRO
CC(C)CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)C#N)n2)O1	ZINC001130770190	940108492	/nfs/dbraw/zinc/10/84/92/940108492.db2.gz	WZJQNESUKWZUEK-QLFBSQMISA-N	1	0	362.478	1.826	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)n3cccc3)n2)O1	ZINC001130776394	940125056	/nfs/dbraw/zinc/12/50/56/940125056.db2.gz	CMAJVHZNMYIPTK-OWCLPIDISA-N	1	0	370.457	1.317	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COCCCC)n2)O1	ZINC001130777182	940127621	/nfs/dbraw/zinc/12/76/21/940127621.db2.gz	VUQOZFAPRQVCAF-LSDHHAIUSA-N	1	0	363.462	1.071	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC3(F)F)n2)O1	ZINC001130778402	940132008	/nfs/dbraw/zinc/13/20/08/940132008.db2.gz	WLIYQFLVHPJVGO-RWMBFGLXSA-N	1	0	369.416	1.852	20	30		FDEDRO
C#CCCCNC(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21	ZINC000806911436	940138841	/nfs/dbraw/zinc/13/88/41/940138841.db2.gz	BZZHTJJSDMOOGI-VAMGGRTRSA-N	1	0	367.493	1.933	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(C)CCCC3)n2)O1	ZINC001130794333	940146271	/nfs/dbraw/zinc/14/62/71/940146271.db2.gz	SCUYFTSVEUUHEJ-LSDHHAIUSA-N	1	0	359.474	1.834	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](F)C(C)C)n2)O1	ZINC001130796456	940151151	/nfs/dbraw/zinc/15/11/51/940151151.db2.gz	SANNPNWUVGSNRO-GUTXKFCHSA-N	1	0	351.426	1.248	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)C(C)(C)C)n2)O1	ZINC001130790214	940163493	/nfs/dbraw/zinc/16/34/93/940163493.db2.gz	NFWUNSRHIYJSBG-QLFBSQMISA-N	1	0	361.490	1.936	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3occc3CC)n2)O1	ZINC001130805159	940176611	/nfs/dbraw/zinc/17/66/11/940176611.db2.gz	VTTJBVQOKAZSCW-LSDHHAIUSA-N	1	0	371.441	1.723	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3conc3C3CC3)n2)O1	ZINC001130806358	940180850	/nfs/dbraw/zinc/18/08/50/940180850.db2.gz	APCSBQHCJDNUCP-GXTWGEPZSA-N	1	0	370.413	1.043	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(C(C)(F)F)CC3)n2)O1	ZINC001130809181	940186380	/nfs/dbraw/zinc/18/63/80/940186380.db2.gz	LEQCTFMJNLGUOU-NWDGAFQWSA-N	1	0	369.416	1.852	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(CCC)CC3)n2)O1	ZINC001130809241	940186765	/nfs/dbraw/zinc/18/67/65/940186765.db2.gz	NOUMAINOYNOXNW-LSDHHAIUSA-N	1	0	359.474	1.834	20	30		FDEDRO
C=CCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCF)O2)n[nH]1	ZINC001130799406	940192145	/nfs/dbraw/zinc/19/21/45/940192145.db2.gz	GDRVFNFDPWVJPD-UONOGXRCSA-N	1	0	353.442	1.947	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3C[C@H]3C3CCC3)n2)O1	ZINC001130811937	940206606	/nfs/dbraw/zinc/20/66/06/940206606.db2.gz	SRCICHVOQFURNW-MWDXBVQZSA-N	1	0	371.485	1.690	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@]3(C)CCOC3)n2)O1	ZINC001130813559	940212145	/nfs/dbraw/zinc/21/21/45/940212145.db2.gz	QYFLDRKUJBLUSE-IYOUNJFTSA-N	1	0	363.462	1.233	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC34CCCC4)n2)O1	ZINC001130813491	940212184	/nfs/dbraw/zinc/21/21/84/940212184.db2.gz	QJZSJBHSDCTMSL-HRCADAONSA-N	1	0	371.485	1.834	20	30		FDEDRO
C#Cc1ccc(C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCC)O3)n[nH]2)nc1	ZINC001130817260	940221679	/nfs/dbraw/zinc/22/16/79/940221679.db2.gz	IYWYQKNDJVQXAE-GOEBONIOSA-N	1	0	368.441	1.331	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3c[nH]cc3C)n2)O1	ZINC001130817292	940222271	/nfs/dbraw/zinc/22/22/71/940222271.db2.gz	KLOFISXCBSQTID-DZGCQCFKSA-N	1	0	356.430	1.204	20	30		FDEDRO
CSCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#Cc2ccccc2)C1	ZINC001130897478	940300405	/nfs/dbraw/zinc/30/04/05/940300405.db2.gz	BQBKHZFYVBWPAB-QZTJIDSGSA-N	1	0	368.506	1.719	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1c1cncn1C	ZINC001130891808	940306367	/nfs/dbraw/zinc/30/63/67/940306367.db2.gz	RNSLUIZDJZAEOD-IAGOWNOFSA-N	1	0	361.490	1.187	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1	ZINC000807357182	940319189	/nfs/dbraw/zinc/31/91/89/940319189.db2.gz	ARLMTYDKJYJREB-SJPCQFCGSA-N	1	0	355.438	1.721	20	30		FDEDRO
Cn1cncc1[C@@H]1CN(C(=O)CSCC#N)C[C@H]1[NH2+]C/C=C/Cl	ZINC001130915234	940324449	/nfs/dbraw/zinc/32/44/49/940324449.db2.gz	FBZAMVSZRDAOKI-XCUNLHGCSA-N	1	0	353.879	1.313	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCF)C1	ZINC001130929722	940338697	/nfs/dbraw/zinc/33/86/97/940338697.db2.gz	VWNPZYDRWWHJEM-BZUAXINKSA-N	1	0	352.454	1.645	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOCC(C)C)C1	ZINC001130948522	940346961	/nfs/dbraw/zinc/34/69/61/940346961.db2.gz	OMCOREXBPZBSKP-IAGOWNOFSA-N	1	0	364.490	1.179	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)COCCCC)C[C@H]1c1cncn1C	ZINC001130948576	940346974	/nfs/dbraw/zinc/34/69/74/940346974.db2.gz	RMQNYNLRBJMPFN-IAGOWNOFSA-N	1	0	364.490	1.323	20	30		FDEDRO
CC(C)CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1c1cncn1C	ZINC001130941350	940352260	/nfs/dbraw/zinc/35/22/60/940352260.db2.gz	XZLXTLJUSIMQPI-BRWVUGGUSA-N	1	0	361.490	1.526	20	30		FDEDRO
CC[C@H](SC)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CCOC)C1	ZINC001130959427	940365313	/nfs/dbraw/zinc/36/53/13/940365313.db2.gz	MOKJIACUFYIYAM-INMHGKMJSA-N	1	0	364.515	1.096	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2COC(=O)C2)C[C@H]1c1cncn1C	ZINC001130959551	940365397	/nfs/dbraw/zinc/36/53/97/940365397.db2.gz	OQACGWRHPBEYAE-ARFHVFGLSA-N	1	0	360.458	1.224	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)CCC)C[C@H]1c1cncn1C	ZINC001130951548	940371094	/nfs/dbraw/zinc/37/10/94/940371094.db2.gz	MAWFHBHEEOBVPA-BZUAXINKSA-N	1	0	361.490	1.043	20	30		FDEDRO
CC(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1c1cncn1C	ZINC001130951919	940371664	/nfs/dbraw/zinc/37/16/64/940371664.db2.gz	WVNKWFHMXCKTPP-NVXWUHKLSA-N	1	0	354.458	1.864	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@H]([NH2+][C@H](C)CC)c2ccco2)CC1	ZINC000807441632	940373646	/nfs/dbraw/zinc/37/36/46/940373646.db2.gz	LTSYIVJJIUPZQO-WBVHZDCISA-N	1	0	374.485	1.880	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCc2ccnn2C)C1	ZINC001130971379	940380167	/nfs/dbraw/zinc/38/01/67/940380167.db2.gz	MAXBPYCVJXRMNB-QZTJIDSGSA-N	1	0	368.485	1.084	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cncnc2)C[C@H]1c1cncn1C	ZINC001130973034	940384106	/nfs/dbraw/zinc/38/41/06/940384106.db2.gz	MRQRBVWLNHTBPG-KBAYOESNSA-N	1	0	368.485	1.692	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C(C)=C2CCC2)C[C@H]1c1cncn1C	ZINC001130983036	940397820	/nfs/dbraw/zinc/39/78/20/940397820.db2.gz	NNQWAQQETVOQIM-QZTJIDSGSA-N	1	0	356.470	1.454	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOCC(F)F)C1	ZINC001130977905	940409070	/nfs/dbraw/zinc/40/90/70/940409070.db2.gz	GLVDWLQMQRSETF-HUUCEWRRSA-N	1	0	368.428	1.389	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC2=CCCCC2)C1	ZINC001130988901	940410690	/nfs/dbraw/zinc/41/06/90/940410690.db2.gz	OXGHVSTVTPHAAE-RTBURBONSA-N	1	0	370.497	1.844	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2coc(C(C)(C)C)n2)C[C@H]1c1cncn1C	ZINC001130988711	940410726	/nfs/dbraw/zinc/41/07/26/940410726.db2.gz	KHZXYMRYVARHKQ-HUUCEWRRSA-N	1	0	369.469	1.927	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)/C(=C/c2ccccc2)n2nnnc2C)CC1	ZINC000747405160	940412657	/nfs/dbraw/zinc/41/26/57/940412657.db2.gz	VWXRUHMRCJHOTF-CYVLTUHYSA-N	1	0	364.453	1.584	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCOCC(F)F)C[C@H]1c1cncn1C	ZINC001130994038	940415995	/nfs/dbraw/zinc/41/59/95/940415995.db2.gz	BLZXDFLRAHGPEL-HUUCEWRRSA-N	1	0	370.444	1.942	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C)nn3C)C2)C1=O	ZINC001086653471	940424563	/nfs/dbraw/zinc/42/45/63/940424563.db2.gz	UNTNKJDEHOUHCA-XHSDSOJGSA-N	1	0	359.474	1.004	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(C)nnc2C)C[C@H]1c1cncn1C	ZINC001131004056	940430330	/nfs/dbraw/zinc/43/03/30/940430330.db2.gz	ZAPCFLQOMIEUGS-QZTJIDSGSA-N	1	0	368.485	1.991	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(OCC)nc2)C[C@H]1c1cncn1C	ZINC001131006278	940433211	/nfs/dbraw/zinc/43/32/11/940433211.db2.gz	VQRMHLPUIFNGSV-IAGOWNOFSA-N	1	0	369.469	1.988	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc(C)nc2OC)C[C@H]1c1cncn1C	ZINC001131007718	940434131	/nfs/dbraw/zinc/43/41/31/940434131.db2.gz	HVIWTDASWYKOJQ-HZPDHXFCSA-N	1	0	370.457	1.301	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2[nH]ccc2C2CC2)C[C@H]1c1cncn1C	ZINC001131010268	940441098	/nfs/dbraw/zinc/44/10/98/940441098.db2.gz	GSNQPPVBAJIVCX-IAGOWNOFSA-N	1	0	351.454	1.847	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1c1cncn1C	ZINC001131014553	940447793	/nfs/dbraw/zinc/44/77/93/940447793.db2.gz	AAIVWIWTCHOYHW-NUEKZKHPSA-N	1	0	370.457	1.468	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2cnc(C)c2)C[C@H]1c1cncn1C	ZINC001131015411	940448750	/nfs/dbraw/zinc/44/87/50/940448750.db2.gz	WKVKJVWDKXHXGC-IAGOWNOFSA-N	1	0	368.485	1.268	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2cc(C)nn2C)C[C@H]1c1cncn1C	ZINC001131028650	940463038	/nfs/dbraw/zinc/46/30/38/940463038.db2.gz	APPWNQQPGXJQGM-QZTJIDSGSA-N	1	0	370.501	1.555	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1cncn1C	ZINC001131035547	940464916	/nfs/dbraw/zinc/46/49/16/940464916.db2.gz	GAGGSAKWHBQPIB-PZEIRFODSA-N	1	0	370.497	1.694	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2CC3(CCC3)C2)C[C@H]1c1cncn1C	ZINC001131046792	940475655	/nfs/dbraw/zinc/47/56/55/940475655.db2.gz	WBDGUNVBPQTKJR-QZTJIDSGSA-N	1	0	370.497	1.534	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnnn2C)C1	ZINC001131057530	940477690	/nfs/dbraw/zinc/47/76/90/940477690.db2.gz	MELJMXMARLQATK-USXIJHARSA-N	1	0	371.489	1.235	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(F)c2F)C[C@H]1c1cncn1C	ZINC001131059845	940478783	/nfs/dbraw/zinc/47/87/83/940478783.db2.gz	LNICUWKHXBVWFT-GDBMZVCRSA-N	1	0	358.392	1.919	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2(c3cccnc3)CC2)C[C@H]1c1cncn1C	ZINC001131054032	940480798	/nfs/dbraw/zinc/48/07/98/940480798.db2.gz	OBPGUMLOBNMGSA-QZTJIDSGSA-N	1	0	363.465	1.454	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(=O)NCC)C1	ZINC001131056083	940481894	/nfs/dbraw/zinc/48/18/94/940481894.db2.gz	XITHHOBUCVINFL-BZUAXINKSA-N	1	0	361.490	1.043	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2cccnc2)C[C@H]1c1cncn1C	ZINC001131072196	940485126	/nfs/dbraw/zinc/48/51/26/940485126.db2.gz	MZBWFOZOHDKVAP-CGTJXYLNSA-N	1	0	367.453	1.190	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccnc(N(C)C)c2)C[C@H]1c1cncn1C	ZINC001131082750	940488221	/nfs/dbraw/zinc/48/82/21/940488221.db2.gz	ZILCROABGJAJHY-IAGOWNOFSA-N	1	0	368.485	1.655	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cn(CCC)nc2C)C[C@H]1c1cncn1C	ZINC001131099142	940493125	/nfs/dbraw/zinc/49/31/25/940493125.db2.gz	OAJKBPWAOZOJEV-QZTJIDSGSA-N	1	0	368.485	1.556	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCCC)C2)nn1	ZINC001131089547	940494857	/nfs/dbraw/zinc/49/48/57/940494857.db2.gz	MWPFXAFAFQDMQN-HZPDHXFCSA-N	1	0	371.489	1.586	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)nn2)C[C@H]1c1cncn1C	ZINC001131101023	940500351	/nfs/dbraw/zinc/50/03/51/940500351.db2.gz	IYWMNOQUKGAJKB-GDBMZVCRSA-N	1	0	370.457	1.383	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(F)cc2F)C[C@H]1c1cncn1C	ZINC001131117837	940504649	/nfs/dbraw/zinc/50/46/49/940504649.db2.gz	VJESISVEZFFHRT-NVXWUHKLSA-N	1	0	358.392	1.919	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2ccnc2C)C[C@H]1c1cncn1C	ZINC001131121080	940506431	/nfs/dbraw/zinc/50/64/31/940506431.db2.gz	LXKSJRHJMHWUJH-KBAYOESNSA-N	1	0	370.501	1.864	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2c[nH]cc2C)C[C@H]1c1cncn1C	ZINC001131121336	940506594	/nfs/dbraw/zinc/50/65/94/940506594.db2.gz	SUEUVKPDKAQOJM-IAGOWNOFSA-N	1	0	357.458	1.457	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2c(C)n[nH]c2C)C[C@H]1c1cncn1C	ZINC001131121280	940506675	/nfs/dbraw/zinc/50/66/75/940506675.db2.gz	QNBOFRCEIAJCEZ-IAGOWNOFSA-N	1	0	356.474	1.463	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCCn2cccc2)C[C@H]1c1cncn1C	ZINC001131125553	940507824	/nfs/dbraw/zinc/50/78/24/940507824.db2.gz	GPWUWZYCTACYLM-QZTJIDSGSA-N	1	0	353.470	1.609	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cnn(C)c2)C[C@H]1c1cncn1C	ZINC001131138406	940509304	/nfs/dbraw/zinc/50/93/04/940509304.db2.gz	AKKDUBWAVXOTJM-DJIMGWMZSA-N	1	0	356.474	1.417	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCCOC)C1	ZINC001131132829	940512738	/nfs/dbraw/zinc/51/27/38/940512738.db2.gz	UDFPYJHMBOJWHW-BRWVUGGUSA-N	1	0	364.490	1.322	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCOCC)C1	ZINC001131136406	940513465	/nfs/dbraw/zinc/51/34/65/940513465.db2.gz	LQEONFALAJAYFG-IAGOWNOFSA-N	1	0	364.490	1.323	20	30		FDEDRO
C[N@@H+]1CCCN(c2ccc(-c3noc([C@H](N)CCCC#N)n3)cn2)CC1	ZINC000822951637	945330011	/nfs/dbraw/zinc/33/00/11/945330011.db2.gz	WHMJGTAWUJFMNV-OAHLLOKOSA-N	1	0	355.446	1.967	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCCOC)C1	ZINC001131301180	940547015	/nfs/dbraw/zinc/54/70/15/940547015.db2.gz	NSIALAPAZQCWQJ-BBWFWOEESA-N	1	0	365.474	1.485	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C#CC(C)C)C1	ZINC001131307436	940549164	/nfs/dbraw/zinc/54/91/64/940549164.db2.gz	SXVCXPDZSVNNEI-KURKYZTESA-N	1	0	359.470	1.718	20	30		FDEDRO
C#CCC1(C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[N@@H+](CCC=C)C[C@H]43)C2)CCC1	ZINC001131310121	940549799	/nfs/dbraw/zinc/54/97/99/940549799.db2.gz	IWBRGJOQHLDPOC-KSZLIROESA-N	1	0	371.481	1.862	20	30		FDEDRO
C#CCCCCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CCC=C)C[C@H]32)C1	ZINC001131310458	940550147	/nfs/dbraw/zinc/55/01/47/940550147.db2.gz	RZBVLOHMOBNJDP-KURKYZTESA-N	1	0	359.470	1.862	20	30		FDEDRO
C=CCCCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CCCOC)C[C@H]32)C1	ZINC001131312983	940552629	/nfs/dbraw/zinc/55/26/29/940552629.db2.gz	CYEAUKYPNINOHL-ZACQAIPSSA-N	1	0	365.474	1.485	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCCF)C1	ZINC001131313578	940553159	/nfs/dbraw/zinc/55/31/59/940553159.db2.gz	WXUBYPVIEFXNDH-OAGGEKHMSA-N	1	0	353.438	1.808	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC[C@@H](C)O2)CC1	ZINC001131383755	940559419	/nfs/dbraw/zinc/55/94/19/940559419.db2.gz	YOFMVRHEUULGHW-BRWVUGGUSA-N	1	0	351.491	1.559	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(C)=O)CC1	ZINC001131402058	940561792	/nfs/dbraw/zinc/56/17/92/940561792.db2.gz	XPMLKZBIKXJVHI-LZQZEXGQSA-N	1	0	365.518	1.805	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC(C)C)CC1	ZINC001131414445	940563761	/nfs/dbraw/zinc/56/37/61/940563761.db2.gz	BZRFRJXXGFGMIC-WDYCEAGBSA-N	1	0	365.518	1.709	20	30		FDEDRO
CC(C)c1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)[nH]1	ZINC001086668088	940565350	/nfs/dbraw/zinc/56/53/50/940565350.db2.gz	GFQLORMGKWGZEP-GXTWGEPZSA-N	1	0	355.446	1.816	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CSCC#N)CC1	ZINC001131429429	940567327	/nfs/dbraw/zinc/56/73/27/940567327.db2.gz	FSODXENMYOIQMP-AEFFLSMTSA-N	1	0	367.515	1.431	20	30		FDEDRO
CCCSCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC#CCOC)CC1	ZINC001131436848	940599836	/nfs/dbraw/zinc/59/98/36/940599836.db2.gz	FIINHFZLLWEOAS-MJGOQNOKSA-N	1	0	368.543	1.765	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cncc(C)c2)CC1	ZINC001131461869	940620610	/nfs/dbraw/zinc/62/06/10/940620610.db2.gz	UGZYVDJZNYOPIG-UXHICEINSA-N	1	0	371.481	1.639	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCC(C)C)CC1	ZINC001131478844	940634910	/nfs/dbraw/zinc/63/49/10/940634910.db2.gz	MYXVXVLONLAZBA-XLIONFOSSA-N	1	0	363.502	1.158	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOC(C)C)CC1	ZINC001131483042	940638346	/nfs/dbraw/zinc/63/83/46/940638346.db2.gz	LFRFHPNFRUXGSL-YZGWKJHDSA-N	1	0	368.518	1.724	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ncn(C)n2)CC1	ZINC001131491389	940642245	/nfs/dbraw/zinc/64/22/45/940642245.db2.gz	ZMDDUDLEBGDYDW-UAGQMJEPSA-N	1	0	361.490	1.769	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CO[C@@H]2CCOC2)CC1	ZINC001131495801	940647162	/nfs/dbraw/zinc/64/71/62/940647162.db2.gz	FKMPSADTWXNERP-GGPKGHCWSA-N	1	0	366.502	1.744	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CO[C@H]2CCOC2)CC1	ZINC001131496411	940647874	/nfs/dbraw/zinc/64/78/74/940647874.db2.gz	ZLCQJFLBGBTAJZ-NSHGMRRFSA-N	1	0	366.502	1.744	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H](C)CC)CC1	ZINC001131496413	940647946	/nfs/dbraw/zinc/64/79/46/940647946.db2.gz	ZNOOOJVOXXABHC-MDYRTPRTSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1	ZINC001131510508	940659385	/nfs/dbraw/zinc/65/93/85/940659385.db2.gz	MZGDTIFLUMRABZ-LMMKCTJWSA-N	1	0	363.502	1.417	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)C(=O)C(C)C)CC1	ZINC001131515712	940681309	/nfs/dbraw/zinc/68/13/09/940681309.db2.gz	ZQQVMCGBPFGNCB-MJGOQNOKSA-N	1	0	363.502	1.110	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(F)c[nH]2)CC1	ZINC001131528449	940698497	/nfs/dbraw/zinc/69/84/97/940698497.db2.gz	WYYDORCOKUWFRR-AEFFLSMTSA-N	1	0	365.449	1.956	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCNC(=O)CC2)CC1	ZINC001131536145	940725165	/nfs/dbraw/zinc/72/51/65/940725165.db2.gz	VCDQEWUSIOTYBK-SCTDSRPQSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@]2(COC)CCOC2)CC1	ZINC001131538852	940726651	/nfs/dbraw/zinc/72/66/51/940726651.db2.gz	WXYPITQMXMNJBN-ZIFCJYIRSA-N	1	0	352.475	1.211	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)NC(=O)C(C)(C)C)CC1	ZINC001131538656	940726716	/nfs/dbraw/zinc/72/67/16/940726716.db2.gz	RIRXJVAODZDMGS-OIISXLGYSA-N	1	0	363.502	1.156	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2conc2C)CC1	ZINC001131555374	940730435	/nfs/dbraw/zinc/73/04/35/940730435.db2.gz	BRDAEZLGXNSENU-MSOLQXFVSA-N	1	0	361.442	1.232	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@]2(C)CCNC2=O)CC1	ZINC001131562371	940736067	/nfs/dbraw/zinc/73/60/67/940736067.db2.gz	RGOJSZDINLTZBA-UWVAXJGDSA-N	1	0	363.502	1.465	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC1	ZINC001131567231	940742716	/nfs/dbraw/zinc/74/27/16/940742716.db2.gz	FPURVMJMRZQDQO-NMLBUPMWSA-N	1	0	370.497	1.533	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC(=O)N(C)C)CC1	ZINC001131575193	940752109	/nfs/dbraw/zinc/75/21/09/940752109.db2.gz	UIACDYOTPASUKD-PBHICJAKSA-N	1	0	357.882	1.203	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCOCCCOC)CC1	ZINC001131590615	940760192	/nfs/dbraw/zinc/76/01/92/940760192.db2.gz	LIEFKSNTDRTQEW-QUCCMNQESA-N	1	0	368.518	1.991	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(=O)NCC2CC2)CC1	ZINC001131592980	940763939	/nfs/dbraw/zinc/76/39/39/940763939.db2.gz	FVARCNYFLYCLSV-CVEARBPZSA-N	1	0	369.893	1.251	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCC(=O)NCCC)CC1	ZINC001131594731	940776854	/nfs/dbraw/zinc/77/68/54/940776854.db2.gz	BJFIOOJXWIYBDI-XLIONFOSSA-N	1	0	365.518	1.855	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]C[C@H](C)OC)CC2)nc1	ZINC001131596914	940780335	/nfs/dbraw/zinc/78/03/35/940780335.db2.gz	ASQHFJOSDBDRAU-CVAIRZPRSA-N	1	0	371.481	1.697	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCC(=O)N2C)CC1	ZINC001131601304	940784800	/nfs/dbraw/zinc/78/48/00/940784800.db2.gz	AGHGXNYVRSWNFB-AOIWGVFYSA-N	1	0	361.486	1.006	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2cncn2)CC1	ZINC001131601314	940784851	/nfs/dbraw/zinc/78/48/51/940784851.db2.gz	AUPXQJIVLNKDTH-WDYCEAGBSA-N	1	0	361.490	1.619	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](CC(C)C)C(N)=O)CC1	ZINC001131621532	940786178	/nfs/dbraw/zinc/78/61/78/940786178.db2.gz	YNLZYENHXSTQGO-KSZLIROESA-N	1	0	363.502	1.143	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCC(=O)N(CC)CC)CC1	ZINC001131606991	940786579	/nfs/dbraw/zinc/78/65/79/940786579.db2.gz	QYJRSNIXOJGUPL-XLIONFOSSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=CCCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCC)CC1	ZINC001131610570	940790906	/nfs/dbraw/zinc/79/09/06/940790906.db2.gz	WZCCKVYVRYKDMJ-MJGOQNOKSA-N	1	0	354.491	1.601	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](CC(C)C)C(N)=O)CC1	ZINC001131612245	940791981	/nfs/dbraw/zinc/79/19/81/940791981.db2.gz	DRPKTXHJEGTPBO-KSZLIROESA-N	1	0	365.518	1.696	20	30		FDEDRO
Cn1nccc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CC#Cc1ccc(Cl)cc1	ZINC001131630779	940802774	/nfs/dbraw/zinc/80/27/74/940802774.db2.gz	QLEVBHGAEGLCGF-IAGOWNOFSA-N	1	0	356.857	1.935	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)N(CC[NH+](CC)CC)CC(C)C)[C@@H]1CCCO1	ZINC000809304773	940809207	/nfs/dbraw/zinc/80/92/07/940809207.db2.gz	QATPIHBEQZEDNM-SJORKVTESA-N	1	0	351.491	1.110	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F	ZINC001131652174	940820409	/nfs/dbraw/zinc/82/04/09/940820409.db2.gz	BANDACVICGDAPD-BYCMXARLSA-N	1	0	351.397	1.465	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1C#N	ZINC000809502315	940844873	/nfs/dbraw/zinc/84/48/73/940844873.db2.gz	KSGAKLVZUPGDBZ-DOTOQJQBSA-N	1	0	370.453	1.126	20	30		FDEDRO
CC(C)(C)c1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)[nH]1	ZINC001086676689	940949062	/nfs/dbraw/zinc/94/90/62/940949062.db2.gz	PXZMPRLBNLCAME-GXTWGEPZSA-N	1	0	369.473	1.990	20	30		FDEDRO
Cn1c(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)nnc1C1CC1	ZINC001086676819	940949379	/nfs/dbraw/zinc/94/93/79/940949379.db2.gz	WMOKBFZOAMZTOC-SWLSCSKDSA-N	1	0	367.457	1.581	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@H]1CCCN(c2cc[nH+]c(N)n2)C1	ZINC000810771417	941056420	/nfs/dbraw/zinc/05/64/20/941056420.db2.gz	QQPQZQRBTGEHTK-CJNGLKHVSA-N	1	0	367.409	1.910	20	30		FDEDRO
Cn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(F)ccc3C#N)C2)nn1	ZINC001086687295	941076448	/nfs/dbraw/zinc/07/64/48/941076448.db2.gz	LBXYRMNKOSNZLS-BLLLJJGKSA-N	1	0	356.405	1.514	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)OCC(=O)NCc2ccc(C#N)cc2)C1	ZINC000811445249	941132588	/nfs/dbraw/zinc/13/25/88/941132588.db2.gz	PYKXMNMYGIGAGQ-LJQANCHMSA-N	1	0	361.417	1.930	20	30		FDEDRO
CSC1(CNc2ccc(S(N)(=O)=O)cc2C#N)CC[NH+](C)CC1	ZINC000811855157	941168587	/nfs/dbraw/zinc/16/85/87/941168587.db2.gz	WJTBWXNNKLHCIC-UHFFFAOYSA-N	1	0	354.501	1.445	20	30		FDEDRO
C=CCOCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCO[C@H]2C=C)CC1	ZINC001098482541	941181136	/nfs/dbraw/zinc/18/11/36/941181136.db2.gz	MQTPQTJSSRIGFO-MSOLQXFVSA-N	1	0	352.475	1.065	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(=O)N(C)[C@H](C)c2ccccc2OC)CC1	ZINC000747816768	941271481	/nfs/dbraw/zinc/27/14/81/941271481.db2.gz	VZQBUJSURJOPHJ-MRXNPFEDSA-N	1	0	371.481	1.676	20	30		FDEDRO
C#C[C@@H](C)N(C)C(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C	ZINC000813543387	941405709	/nfs/dbraw/zinc/40/57/09/941405709.db2.gz	WVTKPVBNXKOOTI-OAHLLOKOSA-N	1	0	365.499	1.319	20	30		FDEDRO
C[C@@H](CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)[NH+]1CCCCC1	ZINC000813595394	941412724	/nfs/dbraw/zinc/41/27/24/941412724.db2.gz	WEIJBPYFDBDZBZ-RDJZCZTQSA-N	1	0	357.458	1.990	20	30		FDEDRO
Cc1ncc(S(=O)(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1C#N	ZINC000813666535	941435964	/nfs/dbraw/zinc/43/59/64/941435964.db2.gz	MHTLCRYJUCDYHQ-INIZCTEOSA-N	1	0	364.471	1.183	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)C[NH2+]CCNC(=O)[C@H]1OCC[C@H]1C	ZINC001134031464	941522278	/nfs/dbraw/zinc/52/22/78/941522278.db2.gz	MYRFTCKPKLKLHI-PBHICJAKSA-N	1	0	365.499	1.394	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccccc1Cl	ZINC001134049308	941537436	/nfs/dbraw/zinc/53/74/36/941537436.db2.gz	AWZQLGOFKHKABE-DOMZBBRYSA-N	1	0	351.834	1.575	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)Nc1cc(F)ccc1C	ZINC001134061693	941540454	/nfs/dbraw/zinc/54/04/54/941540454.db2.gz	DDYWOMZKYHNDBO-UNEWFSDZSA-N	1	0	363.433	1.758	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc4n(n3)CCO4)C2)c1	ZINC001086718699	941578351	/nfs/dbraw/zinc/57/83/51/941578351.db2.gz	NRKHYUPCVYNIGI-DLBZAZTESA-N	1	0	365.437	1.835	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1	ZINC000747977362	941721367	/nfs/dbraw/zinc/72/13/67/941721367.db2.gz	VPJFCTUQRBTJLH-HNNXBMFYSA-N	1	0	362.499	1.522	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1	ZINC000747977363	941721481	/nfs/dbraw/zinc/72/14/81/941721481.db2.gz	VPJFCTUQRBTJLH-OAHLLOKOSA-N	1	0	362.499	1.522	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1	ZINC000747979223	941725863	/nfs/dbraw/zinc/72/58/63/941725863.db2.gz	FFJQCCXIOXAGMV-SFHVURJKSA-N	1	0	374.460	1.599	20	30		FDEDRO
C#CC[N@H+](C)CCCNc1ncccc1S(=O)(=O)N1CCCCC1	ZINC000814930343	941740405	/nfs/dbraw/zinc/74/04/05/941740405.db2.gz	ZAEIPHOFIHATFF-UHFFFAOYSA-N	1	0	350.488	1.623	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)Cc1ccccc1Br	ZINC000815082602	941776963	/nfs/dbraw/zinc/77/69/63/941776963.db2.gz	BLOKIODZWXGGRF-UHFFFAOYSA-N	1	0	359.289	1.824	20	30		FDEDRO
C#CCNC(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1	ZINC000815108079	941785134	/nfs/dbraw/zinc/78/51/34/941785134.db2.gz	GBEQOFHDVZAHCM-UHFFFAOYSA-N	1	0	360.414	1.255	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cnc1C(F)(F)F	ZINC000815152401	941786652	/nfs/dbraw/zinc/78/66/52/941786652.db2.gz	RWWUFOJNEKWJLN-QWHCGFSZSA-N	1	0	354.332	1.565	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)COCc1ccco1	ZINC001135067720	941883515	/nfs/dbraw/zinc/88/35/15/941883515.db2.gz	JLXIEYGEMOURFB-NJAFHUGGSA-N	1	0	366.458	1.234	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC1CCCCCC1	ZINC001135067925	941883851	/nfs/dbraw/zinc/88/38/51/941883851.db2.gz	SBIYSAWMJWVVKP-HKUYNNGSSA-N	1	0	365.518	1.903	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]CCNC(=O)[C@H]2CCCO[C@H]2C(=C)C)c1	ZINC001135060894	941887080	/nfs/dbraw/zinc/88/70/80/941887080.db2.gz	KELIDNBHZNHPTH-ICSRJNTNSA-N	1	0	369.465	1.684	20	30		FDEDRO
N#Cc1ccsc1NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000815524812	941897740	/nfs/dbraw/zinc/89/77/40/941897740.db2.gz	IWUWCWNVZOJROS-AWEZNQCLSA-N	1	0	362.455	1.318	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N(C)[C@H](C)CC(C)C	ZINC001135145738	941929758	/nfs/dbraw/zinc/92/97/58/941929758.db2.gz	RLYBUNBFZCBSFV-RYRKJORJSA-N	1	0	353.507	1.566	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(C)n(-c2cccc(F)c2)n1	ZINC000815860647	941995922	/nfs/dbraw/zinc/99/59/22/941995922.db2.gz	VHYIJLZCEHKAQZ-UHFFFAOYSA-N	1	0	371.416	1.330	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Oc2cccnc2)nc1	ZINC000815860792	941995949	/nfs/dbraw/zinc/99/59/49/941995949.db2.gz	ALNCJOYZWQAKCQ-UHFFFAOYSA-N	1	0	367.409	1.279	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C(F)(F)F)nc1C	ZINC000815860278	941996286	/nfs/dbraw/zinc/99/62/86/941996286.db2.gz	DRSVKCAAYJPYAT-UHFFFAOYSA-N	1	0	356.348	1.419	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(-n2cccn2)cc1C	ZINC000815861703	941996807	/nfs/dbraw/zinc/99/68/07/941996807.db2.gz	WAGYXBJXYJABFQ-UHFFFAOYSA-N	1	0	353.426	1.191	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1c2c(cc3c1CCC3)CCC2	ZINC000815861166	941997509	/nfs/dbraw/zinc/99/75/09/941997509.db2.gz	UKLCTRWOZVCATM-UHFFFAOYSA-N	1	0	353.466	1.674	20	30		FDEDRO
C=CCC(F)(F)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1	ZINC000816122233	942061972	/nfs/dbraw/zinc/06/19/72/942061972.db2.gz	MZHUNZXRWUZLOV-UHFFFAOYSA-N	1	0	361.414	1.676	20	30		FDEDRO
Cn1ccc(=O)c(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)c1	ZINC001086754569	942318198	/nfs/dbraw/zinc/31/81/98/942318198.db2.gz	YXHFGKMDFPONHP-ZWKOTPCHSA-N	1	0	364.449	1.945	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCN1CCCC1=O	ZINC001170842138	942331065	/nfs/dbraw/zinc/33/10/65/942331065.db2.gz	OQTPOFPZDNHBBH-KURKYZTESA-N	1	0	365.518	1.855	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1	ZINC001086767555	942442263	/nfs/dbraw/zinc/44/22/63/942442263.db2.gz	QCNRMNYKJRKQQN-QWHCGFSZSA-N	1	0	363.849	1.572	20	30		FDEDRO
C[C@H]1CN(C(=O)CCNC(=O)C2N=CC=CC2=O)CC[N@@H+](C2CCC2)C1	ZINC000817021688	942457643	/nfs/dbraw/zinc/45/76/43/942457643.db2.gz	QVXLFQZGHLLWCU-IWHJNQCMSA-N	1	0	360.458	1.236	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3[nH]nnc3C)C2)cc1C#N	ZINC001086773120	942458612	/nfs/dbraw/zinc/45/86/12/942458612.db2.gz	VZSSLOOHQMGHOE-GOEBONIOSA-N	1	0	368.441	1.682	20	30		FDEDRO
N#CCOc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)cc1	ZINC001086778714	942477171	/nfs/dbraw/zinc/47/71/71/942477171.db2.gz	CKODJHVRDSWLIW-KRFUXDQASA-N	1	0	369.465	1.856	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)ccc1F	ZINC001086778725	942477305	/nfs/dbraw/zinc/47/73/05/942477305.db2.gz	CTFAJVSGUFDGTD-LNSZTPPCSA-N	1	0	357.429	1.964	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccn(C)c3C)C2)C1=O	ZINC001086797195	942543071	/nfs/dbraw/zinc/54/30/71/942543071.db2.gz	ZMXCPTPZSVYPBE-JZXOWHBKSA-N	1	0	358.486	1.609	20	30		FDEDRO
CCc1ccc(C#CC(=O)NCC(=O)NCC[NH+]2CCCCCC2)cc1	ZINC000817165293	942601943	/nfs/dbraw/zinc/60/19/43/942601943.db2.gz	XSPZCNPGTKYWQQ-UHFFFAOYSA-N	1	0	355.482	1.709	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2c3n(c(=O)n2C)CCCC3)C1	ZINC001086803605	942741157	/nfs/dbraw/zinc/74/11/57/942741157.db2.gz	PUJJDSPRYNNFMN-UONOGXRCSA-N	1	0	366.893	1.764	20	30		FDEDRO
CC(C)(C)OC(=O)NCC[N@H+](CCc1ccc(C#N)cc1)C[C@@H](O)CO	ZINC001195393197	970935778	/nfs/dbraw/zinc/93/57/78/970935778.db2.gz	AILZYEXPNULSQK-QGZVFWFLSA-N	1	0	363.458	1.281	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1c2ccccc2C[C@@H]1CNC(=O)C(F)(F)F	ZINC000817675639	942903310	/nfs/dbraw/zinc/90/33/10/942903310.db2.gz	SVUHFQYNCOPZHH-CYBMUJFWSA-N	1	0	355.360	1.741	20	30		FDEDRO
CCN1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C#N)C(C)(C)C1	ZINC001195446256	970944531	/nfs/dbraw/zinc/94/45/31/970944531.db2.gz	CIVKEXRQFMMTJG-AWEZNQCLSA-N	1	0	352.416	1.475	20	30		FDEDRO
C#C[C@H](NC(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1)[C@@H]1CCCO1	ZINC000817779574	942946476	/nfs/dbraw/zinc/94/64/76/942946476.db2.gz	CCSVEFNYALCKEQ-OALUTQOASA-N	1	0	362.518	1.369	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1	ZINC000817843410	943005926	/nfs/dbraw/zinc/00/59/26/943005926.db2.gz	WQRVNFMLGUTXOG-UHFFFAOYSA-N	1	0	353.466	1.619	20	30		FDEDRO
C[NH2+]C[C@H](C)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1	ZINC000818499076	943256144	/nfs/dbraw/zinc/25/61/44/943256144.db2.gz	IHMICNVYOYIJAF-OGAOFSLMSA-N	1	0	352.460	1.293	20	30		FDEDRO
C[C@@H](C[NH3+])C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1	ZINC000818501105	943257742	/nfs/dbraw/zinc/25/77/42/943257742.db2.gz	UFAFDXLAZVNFER-GJEKEPIOSA-N	1	0	366.487	1.813	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000818588974	943297701	/nfs/dbraw/zinc/29/77/01/943297701.db2.gz	LLCXSNOFMCQGDU-HDICACEKSA-N	1	0	357.498	1.981	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F	ZINC000818611914	943302432	/nfs/dbraw/zinc/30/24/32/943302432.db2.gz	IHTMMCLIRVELST-CQSZACIVSA-N	1	0	373.444	1.950	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)n1	ZINC000818637894	943315437	/nfs/dbraw/zinc/31/54/37/943315437.db2.gz	LVAWYDPFWFZJFA-UHFFFAOYSA-N	1	0	353.426	1.271	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)CSc1nnc(-c2ccco2)n1CC	ZINC000818603183	943328156	/nfs/dbraw/zinc/32/81/56/943328156.db2.gz	SKOBREMGNRNKSH-UHFFFAOYSA-N	1	0	361.471	1.721	20	30		FDEDRO
C=C[C@@H]1C[C@]1(Nc1ccc([C@H]2CC3(C[NH2+]C3)C(=O)N2)cc1)C(=O)OCC	ZINC001170917691	943362285	/nfs/dbraw/zinc/36/22/85/943362285.db2.gz	LLUAMWZJHQFZBR-AKCHCHLHSA-N	1	0	355.438	1.757	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000818995906	943376620	/nfs/dbraw/zinc/37/66/20/943376620.db2.gz	YQWPOLPGWSAZFE-INIZCTEOSA-N	1	0	354.495	1.429	20	30		FDEDRO
CN(CC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C(=O)OC(C)(C)C	ZINC000819005865	943381240	/nfs/dbraw/zinc/38/12/40/943381240.db2.gz	ZBLBBUHRTVVRQY-UHFFFAOYSA-N	1	0	368.459	1.183	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nc(C)c(C)o3)C2)nn1	ZINC001086823188	943384537	/nfs/dbraw/zinc/38/45/37/943384537.db2.gz	QTVPBIRNUJQUMV-LSDHHAIUSA-N	1	0	358.446	1.757	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3oc(C)nc3C)C2)nn1	ZINC001086823594	943389556	/nfs/dbraw/zinc/38/95/56/943389556.db2.gz	MLEQKCJHCFDLCW-LSDHHAIUSA-N	1	0	358.446	1.757	20	30		FDEDRO
O=C(NCC[NH2+]C[C@H](O)c1ccc(F)cc1Cl)C1N=CC=CC1=O	ZINC000819050601	943395139	/nfs/dbraw/zinc/39/51/39/943395139.db2.gz	UEPPQYULUKZRRT-BSZDNMLHSA-N	1	0	353.781	1.629	20	30		FDEDRO
CC(C)(C)S(=O)(=O)CC[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000819059870	943399767	/nfs/dbraw/zinc/39/97/67/943399767.db2.gz	CSKRCWAUPHFVAW-OAHLLOKOSA-N	1	0	354.472	1.295	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2COC3(CCCC3)O2)cc1	ZINC000819204275	943475017	/nfs/dbraw/zinc/47/50/17/943475017.db2.gz	AZGUZXGXUNXAEH-OAHLLOKOSA-N	1	0	350.440	1.607	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl	ZINC000819222046	943493554	/nfs/dbraw/zinc/49/35/54/943493554.db2.gz	LPFXLXANPBOWHZ-LLVKDONJSA-N	1	0	368.282	1.924	20	30		FDEDRO
COc1ccc(C2=NO[C@@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)C2)cc1C	ZINC000819293190	943505916	/nfs/dbraw/zinc/50/59/16/943505916.db2.gz	PTYZVQHLJLKFSH-IAGOWNOFSA-N	1	0	360.458	1.293	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCc2ccnn2C)C1	ZINC001086826262	943509971	/nfs/dbraw/zinc/50/99/71/943509971.db2.gz	GFYRUEMEXVKGDI-NBMJBFSESA-N	1	0	360.502	1.818	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]C[C@H](O)c2ccc(C#N)cc2)C1	ZINC000819358776	943540939	/nfs/dbraw/zinc/54/09/39/943540939.db2.gz	PWLQLFZRWCVVMA-IRXDYDNUSA-N	1	0	361.442	1.817	20	30		FDEDRO
O=C(NC1CC1)c1cc(F)c(N=NC2CC[NH+](CCO)CC2)c(F)c1	ZINC000819809602	943735182	/nfs/dbraw/zinc/73/51/82/943735182.db2.gz	VGCDEQVIQZZZIN-UHFFFAOYSA-N	1	0	352.385	1.713	20	30		FDEDRO
N#CCOc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cnon3)C2)cc1	ZINC001086833874	944008106	/nfs/dbraw/zinc/00/81/06/944008106.db2.gz	KQOFHSZNGRZJOZ-LSDHHAIUSA-N	1	0	355.398	1.660	20	30		FDEDRO
C#C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)c1ccc(F)cc1	ZINC000820490871	944070627	/nfs/dbraw/zinc/07/06/27/944070627.db2.gz	RGHOGYNEBPYKGT-ZWKOTPCHSA-N	1	0	372.444	1.448	20	30		FDEDRO
C#C[C@H](NC(=O)NC[C@]1(O)CC[N@@H+](C)C1)c1ccc(Br)cc1	ZINC000820615961	944121218	/nfs/dbraw/zinc/12/12/18/944121218.db2.gz	FKSRFIHRZBGDSP-GOEBONIOSA-N	1	0	366.259	1.489	20	30		FDEDRO
C#C[C@H](NC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1ccccc1	ZINC000820598569	944138606	/nfs/dbraw/zinc/13/86/06/944138606.db2.gz	DGHFJQQAGPYVJK-ROUUACIJSA-N	1	0	358.486	1.753	20	30		FDEDRO
C=CCN1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1	ZINC000820809905	944203180	/nfs/dbraw/zinc/20/31/80/944203180.db2.gz	KPULXPVBVGFCLQ-AWEZNQCLSA-N	1	0	365.499	1.247	20	30		FDEDRO
CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(F)ccc3C#N)C2)nn1	ZINC001086840654	944292356	/nfs/dbraw/zinc/29/23/56/944292356.db2.gz	PCWWKFMUJNNINF-SUMWQHHRSA-N	1	0	370.432	1.997	20	30		FDEDRO
CON=C(C(=O)N1CC[NH+](C2CCCCC2)CC1)c1csc(N)n1	ZINC000821019007	944300681	/nfs/dbraw/zinc/30/06/81/944300681.db2.gz	HRYCWODFEFFWAX-UHFFFAOYSA-N	1	0	351.476	1.553	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC000821331152	944422430	/nfs/dbraw/zinc/42/24/30/944422430.db2.gz	IJXVVXOMWKMJHR-INIZCTEOSA-N	1	0	361.417	1.901	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)C1	ZINC001195640560	971102749	/nfs/dbraw/zinc/10/27/49/971102749.db2.gz	GKMDALAJGIUYEU-BHIYHBOVSA-N	1	0	360.502	1.662	20	30		FDEDRO
CCN(CCC#N)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H](C)OC)C2	ZINC001110472757	971122081	/nfs/dbraw/zinc/12/20/81/971122081.db2.gz	JPKCPKLIWQQGSW-HZMVEIRTSA-N	1	0	364.490	1.285	20	30		FDEDRO
C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)C#Cc1ccc2c(c1)OCO2	ZINC000856410693	971129373	/nfs/dbraw/zinc/12/93/73/971129373.db2.gz	NEIYZVVIQYMVKJ-KRWDZBQOSA-N	1	0	370.449	1.869	20	30		FDEDRO
CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1	ZINC000823131641	945512854	/nfs/dbraw/zinc/51/28/54/945512854.db2.gz	TZNPOVMIAXDVPA-RBUKOAKNSA-N	1	0	372.469	1.486	20	30		FDEDRO
C[C@H]1C[NH+](CCCNC(=O)NCc2cccc(OCC#N)c2)C[C@H](C)O1	ZINC000113372956	945994685	/nfs/dbraw/zinc/99/46/85/945994685.db2.gz	VRZIOCFIIPIOPU-HOTGVXAUSA-N	1	0	360.458	1.887	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+]CCOc3ccc(-c4nn[nH]n4)cc3)n2c1	ZINC000822837796	946201781	/nfs/dbraw/zinc/20/17/81/946201781.db2.gz	SXPMYXGOVQYIPA-UHFFFAOYSA-N	1	0	360.381	1.555	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2-n2cccc2)C1	ZINC001195800882	971241130	/nfs/dbraw/zinc/24/11/30/971241130.db2.gz	XPQXDSJOHOJWPZ-IEBWSBKVSA-N	1	0	355.438	1.455	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1	ZINC001090788025	946622330	/nfs/dbraw/zinc/62/23/30/946622330.db2.gz	HHBDLBUDXLQWSG-RHSMWYFYSA-N	1	0	370.501	1.942	20	30		FDEDRO
C#CCCCCCC(=O)N(C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1	ZINC001573281746	946678730	/nfs/dbraw/zinc/67/87/30/946678730.db2.gz	BFHWRRSCOZVMAG-AWEZNQCLSA-N	1	0	355.446	1.526	20	30		FDEDRO
C#CCCCC(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CC1	ZINC001573282985	946704344	/nfs/dbraw/zinc/70/43/44/946704344.db2.gz	DOCKPSJILYUVSF-KRWDZBQOSA-N	1	0	370.432	1.794	20	30		FDEDRO
C#CCCCC(=O)N1C[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21	ZINC001573285330	946776294	/nfs/dbraw/zinc/77/62/94/946776294.db2.gz	WJLDCHCQKWHMOW-QZTJIDSGSA-N	1	0	364.453	1.703	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1	ZINC001573560245	946950074	/nfs/dbraw/zinc/95/00/74/946950074.db2.gz	AQVWUUFWAMSQKU-GFCCVEGCSA-N	1	0	371.420	1.588	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C(C)(C)C1	ZINC001573561379	946962960	/nfs/dbraw/zinc/96/29/60/946962960.db2.gz	JYQAPVZNCROAIT-SWLSCSKDSA-N	1	0	353.430	1.353	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573561685	946964567	/nfs/dbraw/zinc/96/45/67/946964567.db2.gz	MBXNCLBXAPFHHJ-AAEUAGOBSA-N	1	0	357.393	1.198	20	30		FDEDRO
CC(C)N(CC[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)C(=O)[C@@H](C)C#N	ZINC001573562053	946969935	/nfs/dbraw/zinc/96/99/35/946969935.db2.gz	QCJFFQGREMVUGI-ZDUSSCGKSA-N	1	0	373.436	1.834	20	30		FDEDRO
CON=C(C(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2)c1csc(N)n1	ZINC000825132107	946987790	/nfs/dbraw/zinc/98/77/90/946987790.db2.gz	OVEORYSYPADAOI-UHFFFAOYSA-N	1	0	371.466	1.420	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573564390	946992757	/nfs/dbraw/zinc/99/27/57/946992757.db2.gz	ICGSDLIPAIKOED-ZFWWWQNUSA-N	1	0	353.430	1.307	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1CC	ZINC001573294655	946994779	/nfs/dbraw/zinc/99/47/79/946994779.db2.gz	FKIIPYMOXASAIJ-YPMHNXCESA-N	1	0	363.853	1.778	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC001573565507	947007259	/nfs/dbraw/zinc/00/72/59/947007259.db2.gz	RKQRTEGBEIWXPC-ZDUSSCGKSA-N	1	0	353.430	1.449	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@](C)(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573565469	947008230	/nfs/dbraw/zinc/00/82/30/947008230.db2.gz	RDCLKOPCBKHYLO-SGTLLEGYSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@](C)(C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573565547	947011711	/nfs/dbraw/zinc/01/17/11/947011711.db2.gz	RWHOTNYXOXSADM-KPZWWZAWSA-N	1	0	371.420	1.494	20	30		FDEDRO
C=CCCC1(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)C3CCCCC3)C[C@H]2O)CC1	ZINC001195906020	971315425	/nfs/dbraw/zinc/31/54/25/971315425.db2.gz	KWSAJCORCBFCDI-KZNAEPCWSA-N	1	0	350.503	1.835	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573567244	947040833	/nfs/dbraw/zinc/04/08/33/947040833.db2.gz	KQNDNHQMVYNSCD-BXUZGUMPSA-N	1	0	357.393	1.246	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@H]2C[C@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)C1	ZINC001573296616	947048878	/nfs/dbraw/zinc/04/88/78/947048878.db2.gz	UEHCWFGSUBEAOQ-JOCQHMNTSA-N	1	0	353.430	1.407	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1	ZINC001573568177	947068110	/nfs/dbraw/zinc/06/81/10/947068110.db2.gz	YXTHDEKCYPOHSR-DGCLKSJQSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1	ZINC001573568236	947070745	/nfs/dbraw/zinc/07/07/45/947070745.db2.gz	ZTWFUQYJXUISMP-NEPJUHHUSA-N	1	0	359.459	1.416	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@](C)(C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1	ZINC001573569738	947076012	/nfs/dbraw/zinc/07/60/12/947076012.db2.gz	FCEOEBZFKLRKMD-BBATYDOGSA-N	1	0	371.420	1.540	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573569817	947078519	/nfs/dbraw/zinc/07/85/19/947078519.db2.gz	FUFJSTWFENDXQE-UEKVPHQBSA-N	1	0	357.393	1.102	20	30		FDEDRO
CON=C(C(=O)N1CCC2(CC1)CC[NH+](C)CC2)c1csc(N)n1	ZINC000825249754	947090223	/nfs/dbraw/zinc/09/02/23/947090223.db2.gz	DIPZQROREKINDP-UHFFFAOYSA-N	1	0	351.476	1.410	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573570505	947090733	/nfs/dbraw/zinc/09/07/33/947090733.db2.gz	QTBFIOBIANKSKK-KEYYUXOJSA-N	1	0	367.457	1.743	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573299269	947091421	/nfs/dbraw/zinc/09/14/21/947091421.db2.gz	SDEFJFFVSCZCDK-IINYFYTJSA-N	1	0	363.853	1.778	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2nn[nH]n2)s1	ZINC001573572322	947110726	/nfs/dbraw/zinc/11/07/26/947110726.db2.gz	GWWREKUEDXISBN-WODVXLOZSA-N	1	0	371.470	1.699	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CCCC1	ZINC001573573037	947116417	/nfs/dbraw/zinc/11/64/17/947116417.db2.gz	LKVXVTUPWUPTDS-DYVFJYSZSA-N	1	0	367.457	1.791	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H]1CC12CC[NH+](Cc1ccccc1-c1nn[nH]n1)CC2	ZINC001573573520	947124908	/nfs/dbraw/zinc/12/49/08/947124908.db2.gz	OGFQJMLKYXMENZ-BBRMVZONSA-N	1	0	365.441	1.497	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1	ZINC001573576624	947154093	/nfs/dbraw/zinc/15/40/93/947154093.db2.gz	IIGHXZZWVYQEGR-PBHICJAKSA-N	1	0	367.457	1.887	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)NC[C@@H](CC)Nc1cc(C)[nH+]cc1-c1nn[nH]n1	ZINC001573306261	947170081	/nfs/dbraw/zinc/17/00/81/947170081.db2.gz	JCINUEFBONTSGJ-FZKQIMNGSA-N	1	0	357.462	1.901	20	30		FDEDRO
C=CC(C)(C)CC(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573307997	947184312	/nfs/dbraw/zinc/18/43/12/947184312.db2.gz	XQHBJRZRNRZEOZ-OAHLLOKOSA-N	1	0	358.446	1.036	20	30		FDEDRO
CC(C)[N@H+](CCCNC(=O)[C@H](C)C#N)Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573584296	947219455	/nfs/dbraw/zinc/21/94/55/947219455.db2.gz	SSCITLKRASGFEQ-CQSZACIVSA-N	1	0	355.446	1.743	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC[N@H+](Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CC1	ZINC001573584447	947222598	/nfs/dbraw/zinc/22/25/98/947222598.db2.gz	WCVBMGINZLWEJU-LLVKDONJSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)[C@@H]1C	ZINC001573585781	947267302	/nfs/dbraw/zinc/26/73/02/947267302.db2.gz	WGULKYDERHCLNR-HFAKWTLXSA-N	1	0	357.393	1.244	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1	ZINC001573316250	947269366	/nfs/dbraw/zinc/26/93/66/947269366.db2.gz	TVHWQSAKTROQCD-ZIAGYGMSSA-N	1	0	355.446	1.867	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1	ZINC001573585903	947273053	/nfs/dbraw/zinc/27/30/53/947273053.db2.gz	JNCUYGVEULYJQE-CQDKDKBSSA-N	1	0	371.420	1.682	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1	ZINC000825516720	947295540	/nfs/dbraw/zinc/29/55/40/947295540.db2.gz	ZUXPSQUDBQRRHQ-OAHLLOKOSA-N	1	0	362.495	1.655	20	30		FDEDRO
C#CCNS(=O)(=O)N1CC[NH+](CCCCc2cccc(Cl)c2)CC1	ZINC000856732077	971357380	/nfs/dbraw/zinc/35/73/80/971357380.db2.gz	YESSPIGYYRUOEV-UHFFFAOYSA-N	1	0	369.918	1.748	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2C)C[C@H]1c1ccc(OC)cc1	ZINC001090863755	947321841	/nfs/dbraw/zinc/32/18/41/947321841.db2.gz	UUGHQZQELDDXHC-RBUKOAKNSA-N	1	0	352.438	1.568	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2[NH2+]C[C@H](C)O)cc1	ZINC001090868159	947375258	/nfs/dbraw/zinc/37/52/58/947375258.db2.gz	DCHOBWNVMPZMOJ-FASAQXTFSA-N	1	0	368.437	1.474	20	30		FDEDRO
C=CCC1(C(=O)N2CCC(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)CCC1	ZINC001573326846	947379588	/nfs/dbraw/zinc/37/95/88/947379588.db2.gz	XGQKKZWHTHESQR-UHFFFAOYSA-N	1	0	367.457	1.833	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@H]1c1ccc(OC)cc1	ZINC001090874970	947485524	/nfs/dbraw/zinc/48/55/24/947485524.db2.gz	YHPBXTDZERMYFR-FTEYMNFISA-N	1	0	364.449	1.739	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2CC)C[C@H]1c1ccc(OC)cc1	ZINC001090875345	947490092	/nfs/dbraw/zinc/49/00/92/947490092.db2.gz	PERFGPRWJIBATJ-PKOBYXMFSA-N	1	0	352.438	1.812	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ncc(OC)cn2)C[C@H]1c1ccc(OC)cc1	ZINC001090875777	947495961	/nfs/dbraw/zinc/49/59/61/947495961.db2.gz	GMYHTNHTOYGYIF-ZWKOTPCHSA-N	1	0	368.437	1.878	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(OCC)no2)C[C@H]1c1ccc(OC)cc1	ZINC001090876423	947557439	/nfs/dbraw/zinc/55/74/39/947557439.db2.gz	YOXZEYUEYGTZRC-DLBZAZTESA-N	1	0	369.421	1.913	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2C)C[C@H]1c1ccc(OC)cc1	ZINC001090877004	947564882	/nfs/dbraw/zinc/56/48/82/947564882.db2.gz	GIAULRNQXOMIGS-YTQUADARSA-N	1	0	371.481	1.776	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1c1ccc(OC)cc1	ZINC001090879022	947568670	/nfs/dbraw/zinc/56/86/70/947568670.db2.gz	HNLCBYXEKCOTKH-UEXGIBASSA-N	1	0	371.481	1.824	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C(C)(C)C	ZINC001573347772	947576140	/nfs/dbraw/zinc/57/61/40/947576140.db2.gz	HODVZHGSAPRXMK-CQSZACIVSA-N	1	0	361.450	1.132	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573350815	947603909	/nfs/dbraw/zinc/60/39/09/947603909.db2.gz	HTPAKPRXRBGGCV-TWMKSMIVSA-N	1	0	368.441	1.195	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCN(C(C)=O)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090884331	947640522	/nfs/dbraw/zinc/64/05/22/947640522.db2.gz	LMUAXELMFQPPHY-YSIASYRMSA-N	1	0	371.481	1.634	20	30		FDEDRO
CC#CC[NH2+]C[C@@]1(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCCC[C@H]1C	ZINC001573357957	947654458	/nfs/dbraw/zinc/65/44/58/947654458.db2.gz	DJMGWNTWAXQRHM-ACJLOTCBSA-N	1	0	355.446	1.486	20	30		FDEDRO
CN1C(=O)C[C@H](C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000844195457	947865062	/nfs/dbraw/zinc/86/50/62/947865062.db2.gz	UENJVRNZZWVHQF-KTMIJUKYSA-N	1	0	364.808	1.226	20	30		FDEDRO
CN(C[C@@H](O)C[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1)C(=O)OC(C)(C)C	ZINC000844362326	948013367	/nfs/dbraw/zinc/01/33/67/948013367.db2.gz	YQMGVYQNJHFHFH-DLBZAZTESA-N	1	0	363.458	1.751	20	30		FDEDRO
C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H](O)c1cccc(C#N)c1	ZINC000844369014	948019976	/nfs/dbraw/zinc/01/99/76/948019976.db2.gz	XAYRAPAGCMGDMP-MJGOQNOKSA-N	1	0	371.393	1.872	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1	ZINC000964007942	1013083407	/nfs/dbraw/zinc/08/34/07/1013083407.db2.gz	KVVPXJSXJBFEIO-TXTZMMAHSA-N	1	0	363.502	1.320	20	30		FDEDRO
CO[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C	ZINC001090949375	948085897	/nfs/dbraw/zinc/08/58/97/948085897.db2.gz	MDDGZBJKDTUHHH-CGTJXYLNSA-N	1	0	357.458	1.147	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC3(C1)CS(=O)(=O)C3)C2	ZINC001110715313	971459963	/nfs/dbraw/zinc/45/99/63/971459963.db2.gz	UUMHMOMHXBHXBQ-SVGFKBNWSA-N	1	0	366.527	1.887	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C	ZINC001144068894	948172848	/nfs/dbraw/zinc/17/28/48/948172848.db2.gz	WVAUQQUTNXMWOL-UHFFFAOYSA-N	1	0	364.534	1.286	20	30		FDEDRO
N#Cc1cncc(C[N@H+]2C[C@@H](C(=O)N3CCCC3)C3(C2)CCOCC3)c1	ZINC001144080738	948202461	/nfs/dbraw/zinc/20/24/61/948202461.db2.gz	WYYKKLFJPCXWEI-SFHVURJKSA-N	1	0	354.454	1.804	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)/C=C\c2ccc(F)cc2)CC1	ZINC001144210441	948383618	/nfs/dbraw/zinc/38/36/18/948383618.db2.gz	UUKRQEMODHOFMY-CXOKCQFOSA-N	1	0	361.461	1.798	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C	ZINC000775686597	971482765	/nfs/dbraw/zinc/48/27/65/971482765.db2.gz	HVDSMDVKCPDWQF-KGLIPLIRSA-N	1	0	368.478	1.671	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cccn3)n2)C1	ZINC001196123275	971494807	/nfs/dbraw/zinc/49/48/07/971494807.db2.gz	OTJKFDKSHGQYJY-QZTJIDSGSA-N	1	0	369.469	1.789	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)CCCO1	ZINC000845151864	948736329	/nfs/dbraw/zinc/73/63/29/948736329.db2.gz	ISNPIPIJYAYZEH-APWZRJJASA-N	1	0	374.485	1.734	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(N3CCCC3)ncn2)C1	ZINC001196161961	971514519	/nfs/dbraw/zinc/51/45/19/971514519.db2.gz	SUBFNTUPZZWUOH-USXIJHARSA-N	1	0	359.474	1.206	20	30		FDEDRO
C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccnc(C#N)c1	ZINC000845241255	948930972	/nfs/dbraw/zinc/93/09/72/948930972.db2.gz	OJLWMODTHYPCTA-HNNXBMFYSA-N	1	0	362.430	1.841	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H](CS)NC(C)=O)cc2)CC1	ZINC001144411016	948997311	/nfs/dbraw/zinc/99/73/11/948997311.db2.gz	NUBAUOXPXVJBPG-KRWDZBQOSA-N	1	0	364.515	1.197	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1CC[C@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573788691	949208033	/nfs/dbraw/zinc/20/80/33/949208033.db2.gz	SWTYKHDHWMTELJ-LJQANCHMSA-N	1	0	367.457	1.384	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CC(F)(F)CNC(=O)OC(C)(C)C)CC1	ZINC000845448954	949231582	/nfs/dbraw/zinc/23/15/82/949231582.db2.gz	KRCYFJLNMYVKFT-UHFFFAOYSA-N	1	0	360.405	1.641	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCCc2ccccc2)C[C@H]1O	ZINC001196276369	971602161	/nfs/dbraw/zinc/60/21/61/971602161.db2.gz	OEJLCHLJEVFCLA-WTGUMLROSA-N	1	0	358.482	1.762	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3C[C@H]4C[C@@]4(CO)C3)CC2)c1	ZINC000845740958	949873820	/nfs/dbraw/zinc/87/38/20/949873820.db2.gz	BGLXZSQWXPLLDJ-XLIONFOSSA-N	1	0	354.454	1.546	20	30		FDEDRO
N#Cc1ccccc1C[NH2+]C1CC(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1	ZINC001091160494	949876448	/nfs/dbraw/zinc/87/64/48/949876448.db2.gz	YQOIIQAYKNDRIA-LQVKNZFSSA-N	1	0	369.465	1.594	20	30		FDEDRO
C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[N@H+](C)Cc1cccc(C#N)c1	ZINC001574975502	950034095	/nfs/dbraw/zinc/03/40/95/950034095.db2.gz	HXMVJZAFQRZSQN-GFCCVEGCSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCCC[C@@H]1CCNc1cc[nH+]cc1-c1nn[nH]n1	ZINC001570967843	950229712	/nfs/dbraw/zinc/22/97/12/950229712.db2.gz	SPNBGDWUNYIELI-CHWSQXEVSA-N	1	0	354.418	1.026	20	30		FDEDRO
CN1CCN(c2ncc(C[N@H+](C)C[C@H](O)c3cccc(C#N)c3)cn2)CC1	ZINC000846007440	950325679	/nfs/dbraw/zinc/32/56/79/950325679.db2.gz	NIMAZCKCNQYMRO-IBGZPJMESA-N	1	0	366.469	1.265	20	30		FDEDRO
COc1ccc(N2CCN(CC[NH2+]C[C@H](O)CC(C)(C)C#N)CC2)cc1	ZINC000857234371	971663955	/nfs/dbraw/zinc/66/39/55/971663955.db2.gz	JQAPHVMARUMGEP-GOSISDBHSA-N	1	0	360.502	1.708	20	30		FDEDRO
C[C@H](CN(C)C(=O)c1ccc(C#N)[nH]1)[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001574753755	950539509	/nfs/dbraw/zinc/53/95/09/950539509.db2.gz	RKAHGLFVIXHPHY-GFCCVEGCSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[C@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@@H]2COC[C@H](C(=O)N3CCCO3)[C@@H]2C1	ZINC001171216453	950583521	/nfs/dbraw/zinc/58/35/21/950583521.db2.gz	ITOCUNWUYQGHRL-XLNTUCKNSA-N	1	0	369.465	1.848	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001570983134	950667837	/nfs/dbraw/zinc/66/78/37/950667837.db2.gz	LKZJIGNEQMRKOQ-RISCZKNCSA-N	1	0	357.393	1.198	20	30		FDEDRO
CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)C1	ZINC000846275689	950838908	/nfs/dbraw/zinc/83/89/08/950838908.db2.gz	TZXVBSSDQSITKU-QZTJIDSGSA-N	1	0	372.469	1.039	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1	ZINC000846319725	950915747	/nfs/dbraw/zinc/91/57/47/950915747.db2.gz	OQYGZFDEYQWPDA-TYILLQQXSA-N	1	0	356.426	1.503	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N1CC[C@H]2CCN(c3ccnc(C#N)n3)[C@H]2C1	ZINC001091216899	950940684	/nfs/dbraw/zinc/94/06/84/950940684.db2.gz	WOMQWMHERRSILF-HOTGVXAUSA-N	1	0	356.474	1.507	20	30		FDEDRO
Cc1cc(C#N)nc(N2CC[C@@H]3CCN(C(=O)CCC[NH+](C)C)C[C@@H]32)n1	ZINC001091226270	951097995	/nfs/dbraw/zinc/09/79/95/951097995.db2.gz	MRJVJPXMBJQNGM-RDJZCZTQSA-N	1	0	356.474	1.426	20	30		FDEDRO
C[N@H+](CC(=O)N1CC[C@H]2CCN(c3cncc(C#N)n3)[C@H]2C1)CC(C)(C)C	ZINC001091229724	951119697	/nfs/dbraw/zinc/11/96/97/951119697.db2.gz	BKDFCXLWGWWFOK-RDJZCZTQSA-N	1	0	370.501	1.753	20	30		FDEDRO
CC[C@@H](C(=O)N1CC[C@H]2CCN(c3nccnc3C#N)[C@H]2C1)[NH+](CC)CC	ZINC001091230168	951120998	/nfs/dbraw/zinc/12/09/98/951120998.db2.gz	JDMXGRWALOFURQ-SZMVWBNQSA-N	1	0	370.501	1.896	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)c[nH]1	ZINC001571004056	951134289	/nfs/dbraw/zinc/13/42/89/951134289.db2.gz	COSGGRWQDKDLPV-HNNXBMFYSA-N	1	0	362.397	1.071	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1	ZINC001571004555	951148602	/nfs/dbraw/zinc/14/86/02/951148602.db2.gz	NKRAUCBSMAKRCL-OAHLLOKOSA-N	1	0	362.397	1.071	20	30		FDEDRO
C[C@H](Cc1cccc(C#N)c1)N([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccccn1	ZINC001171228503	951164272	/nfs/dbraw/zinc/16/42/72/951164272.db2.gz	GXKIAGNGLRCSFX-QAPCUYQASA-N	1	0	370.478	1.937	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2cn(CC)nn2)C1	ZINC001091273913	951320069	/nfs/dbraw/zinc/32/00/69/951320069.db2.gz	CPKITMLTSMMCLQ-RLNQZENFSA-N	1	0	361.490	1.654	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CCNC(=O)CC3)CC2)c1	ZINC000846612304	951374590	/nfs/dbraw/zinc/37/45/90/951374590.db2.gz	SADYVUWRHIVOIH-KRWDZBQOSA-N	1	0	354.454	1.555	20	30		FDEDRO
C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1	ZINC000846720020	951483023	/nfs/dbraw/zinc/48/30/23/951483023.db2.gz	CWZQNMCDDNAANN-CRAIPNDOSA-N	1	0	372.469	1.041	20	30		FDEDRO
CN1c2ccccc2N(C)C1=C1C(=N)N(C[C@H]2C[C@@H]([NH+](C)C)C2)CC1=O	ZINC000846756594	951529588	/nfs/dbraw/zinc/52/95/88/951529588.db2.gz	KIRPLJYZYGDEGE-OKILXGFUSA-N	1	0	353.470	1.986	20	30		FDEDRO
CC#CC[N@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@@H]3CCO[C@H]3CC)c2)C1	ZINC001091404468	951597726	/nfs/dbraw/zinc/59/77/26/951597726.db2.gz	JYSBRGHAJQHZTJ-ZCNNSNEGSA-N	1	0	371.481	1.989	20	30		FDEDRO
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC([N@@H+]2CCOC[C@@H]2C)CC1	ZINC000846912233	951712277	/nfs/dbraw/zinc/71/22/77/951712277.db2.gz	LQYGYIQOWYZXAS-HNAYVOBHSA-N	1	0	357.454	1.957	20	30		FDEDRO
N#Cc1cccnc1C(=O)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1	ZINC001196551244	971771231	/nfs/dbraw/zinc/77/12/31/971771231.db2.gz	CRLKBCKHBFDBGC-KUHUBIRLSA-N	1	0	367.384	1.655	20	30		FDEDRO
C#C[C@H]1CCCN([C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)C1	ZINC000847032392	951782075	/nfs/dbraw/zinc/78/20/75/951782075.db2.gz	WWEPCDYXPNNGIH-RYUDHWBXSA-N	1	0	367.371	1.892	20	30		FDEDRO
C[C@]12CN(C(=O)c3cc[n+]([O-])cc3)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001091456745	951816407	/nfs/dbraw/zinc/81/64/07/951816407.db2.gz	LZPBKCHDCXTGTI-IRLDBZIGSA-N	1	0	361.445	1.766	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)CC(C)(C)C)C2	ZINC001110117630	951851584	/nfs/dbraw/zinc/85/15/84/951851584.db2.gz	FFDVWXBCRKHDIV-PMPSAXMXSA-N	1	0	351.491	1.463	20	30		FDEDRO
C[C@@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001575101339	951857241	/nfs/dbraw/zinc/85/72/41/951857241.db2.gz	BTZDXJBCFURAKB-JTQLQIEISA-N	1	0	370.442	1.378	20	30		FDEDRO
C[NH+](C)CCC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1c1ccccc1	ZINC001091532545	951954176	/nfs/dbraw/zinc/95/41/76/951954176.db2.gz	ZQOCOKLMEVYZLD-RBUKOAKNSA-N	1	0	363.465	1.994	20	30		FDEDRO
C[C@]12CN(C(=O)Cc3cc[nH]n3)C[C@H]1C[N@H+](Cc1ccc(F)c(C#N)c1)C2	ZINC001091558726	952053061	/nfs/dbraw/zinc/05/30/61/952053061.db2.gz	HOYONBYRVCKMIK-UZLBHIALSA-N	1	0	367.428	1.943	20	30		FDEDRO
N#Cc1nccnc1N[C@@H]1CC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1	ZINC001091584897	952145288	/nfs/dbraw/zinc/14/52/88/952145288.db2.gz	MOQOTYFMSJSXBV-JKSUJKDBSA-N	1	0	356.474	1.921	20	30		FDEDRO
CC1CC[NH+](CC(=O)NC[C@H]2CC[C@@H](Nc3ccc(C#N)nn3)C2)CC1	ZINC001091600762	952218339	/nfs/dbraw/zinc/21/83/39/952218339.db2.gz	DECRNIOTYSCTCT-JKSUJKDBSA-N	1	0	356.474	1.777	20	30		FDEDRO
Cn1nccc1CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@]2(C)C1	ZINC001091605529	952234715	/nfs/dbraw/zinc/23/47/15/952234715.db2.gz	XXRRLLIXIJIZMO-KUHUBIRLSA-N	1	0	352.442	1.256	20	30		FDEDRO
CN(CCC[NH+](C)C)CCNC(=O)c1cccc(C#N)c1Br	ZINC001146890591	952248180	/nfs/dbraw/zinc/24/81/80/952248180.db2.gz	KSMSXPILVPVSQW-UHFFFAOYSA-N	1	0	367.291	1.934	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)NC[C@H]1CC[C@@H](Nc2cnc(C#N)cn2)C1	ZINC001091609215	952274709	/nfs/dbraw/zinc/27/47/09/952274709.db2.gz	JIGHAKMYJHNWDD-LZWOXQAQSA-N	1	0	362.453	1.725	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4coc(C)c4)C[C@]3(C)C2)C1=O	ZINC001091623748	952331513	/nfs/dbraw/zinc/33/15/13/952331513.db2.gz	SCFDZECGBCUWQK-HLIPFELVSA-N	1	0	357.454	1.769	20	30		FDEDRO
Cc1cc(C#N)nc(N[C@@H]2CC[C@H](CNC(=O)C3(C[NH+](C)C)CC3)C2)n1	ZINC001091625936	952346807	/nfs/dbraw/zinc/34/68/07/952346807.db2.gz	SFEGLIXZAMIRJX-LSDHHAIUSA-N	1	0	356.474	1.695	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4c(C)ccn4C)C[C@]3(C)C2)C1=O	ZINC001091625298	952351791	/nfs/dbraw/zinc/35/17/91/952351791.db2.gz	QXTKETFOUPWUBL-WWMYMODYSA-N	1	0	370.497	1.514	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cn([C@H]3CCOC3)nn2)C1	ZINC001086848993	952432055	/nfs/dbraw/zinc/43/20/55/952432055.db2.gz	QNSUANICCGHHIH-MJBXVCDLSA-N	1	0	353.854	1.480	20	30		FDEDRO
N#CC1(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)CC[NH+](Cc2ccccc2)CC1	ZINC001147701794	952488730	/nfs/dbraw/zinc/48/87/30/952488730.db2.gz	SXEHULWFWXJCIG-UHFFFAOYSA-N	1	0	353.382	1.176	20	30		FDEDRO
C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1	ZINC001091655201	952515962	/nfs/dbraw/zinc/51/59/62/952515962.db2.gz	GUIKNSUQDRLPRG-BLIXFSHQSA-N	1	0	357.498	1.581	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)C[C@]2(C)C1	ZINC001091668531	952558280	/nfs/dbraw/zinc/55/82/80/952558280.db2.gz	NUDNCKOAVVWAKR-KHYOSLBOSA-N	1	0	357.458	1.119	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+]1CCC2(CN(C(=O)[C@]34C[C@H]3CCC4)C2)C1	ZINC001147946309	952584604	/nfs/dbraw/zinc/58/46/04/952584604.db2.gz	QBENGGVCRQSGHU-DYESRHJHSA-N	1	0	357.498	1.912	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CNc1ncccc1C#N	ZINC001091672816	952598054	/nfs/dbraw/zinc/59/80/54/952598054.db2.gz	WHQCEUBOLKZAEX-IAGOWNOFSA-N	1	0	359.474	1.570	20	30		FDEDRO
COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000772985916	952626227	/nfs/dbraw/zinc/62/62/27/952626227.db2.gz	UWULPTJOYOFPQP-RUWSDDDDSA-N	1	0	372.425	1.831	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3cnc4cc[nH]cc-4c3=O)C[C@]2(C)C1	ZINC001091708635	952695534	/nfs/dbraw/zinc/69/55/34/952695534.db2.gz	DVWGAXKULGMKBE-VLIAUNLRSA-N	1	0	352.438	1.893	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cnoc3C)C[C@@]2(C)C1	ZINC001091748631	952794830	/nfs/dbraw/zinc/79/48/30/952794830.db2.gz	QTHJFRCCYGPMPO-HBFSDRIKSA-N	1	0	356.470	1.361	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CN(Cc3ncc(C)cn3)C[C@@]2(C)C1	ZINC001091748973	952795869	/nfs/dbraw/zinc/79/58/69/952795869.db2.gz	ZTLRLDGNUZDIQZ-LQWHRVPQSA-N	1	0	367.497	1.163	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)cn1	ZINC001086855702	952867164	/nfs/dbraw/zinc/86/71/64/952867164.db2.gz	OCFBYPPKANOGKS-MAUKXSAKSA-N	1	0	354.454	1.173	20	30		FDEDRO
Cn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)n(C)c1=O	ZINC001086883943	952936274	/nfs/dbraw/zinc/93/62/74/952936274.db2.gz	DPXARPMBSRRXOY-DLBZAZTESA-N	1	0	367.453	1.284	20	30		FDEDRO
Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2c2cnn(C)c2)s1	ZINC001086970614	952972019	/nfs/dbraw/zinc/97/20/19/952972019.db2.gz	AIONNXGIPGSVGF-XFBWCDHKSA-N	1	0	358.471	1.429	20	30		FDEDRO
COc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2c2cnn(C)c2)ccn1	ZINC001086970741	952972428	/nfs/dbraw/zinc/97/24/28/952972428.db2.gz	GNWAJBMGEDJDKL-RRQGHBQHSA-N	1	0	368.441	1.068	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)cnc3c2)C[C@H]1c1cnn(C)c1	ZINC001086978988	952991797	/nfs/dbraw/zinc/99/17/97/952991797.db2.gz	CKSPSPPVXGDVDM-ZWKOTPCHSA-N	1	0	364.453	1.760	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cn(C)c(C)cc2=O)C[C@H]1c1cnn(C)c1	ZINC001086983339	952996812	/nfs/dbraw/zinc/99/68/12/952996812.db2.gz	JLZNGIUEIFHWIG-FUHWJXTLSA-N	1	0	369.469	1.201	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1c1cnn(C)c1	ZINC001086984861	952999850	/nfs/dbraw/zinc/99/98/50/952999850.db2.gz	HYTXTDMJMANWIJ-GVDBMIGSSA-N	1	0	365.909	1.541	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ncn3ccc(C)cc23)C[C@H]1c1cnn(C)c1	ZINC001086985530	953003345	/nfs/dbraw/zinc/00/33/45/953003345.db2.gz	PAELXNNVZMEWQG-DLBZAZTESA-N	1	0	362.437	1.207	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccn3nccc23)C[C@H]1c1cnn(C)c1	ZINC001086985761	953003863	/nfs/dbraw/zinc/00/38/63/953003863.db2.gz	CHZBBLOVHSRXLX-DLBZAZTESA-N	1	0	350.426	1.452	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3ccc(C)cc32)C[C@H]1c1cnn(C)c1	ZINC001086985755	953004079	/nfs/dbraw/zinc/00/40/79/953004079.db2.gz	BOIJWMASHNJEKR-FUHWJXTLSA-N	1	0	364.453	1.989	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2cccnc2)C[C@H]1c1cnn(C)c1	ZINC001086986342	953006309	/nfs/dbraw/zinc/00/63/09/953006309.db2.gz	KBMROAABQHYYIV-RBUKOAKNSA-N	1	0	353.470	1.908	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)cc2F)C[C@H]1c1cnn(C)c1	ZINC001086986566	953006757	/nfs/dbraw/zinc/00/67/57/953006757.db2.gz	WFSFELXCBHHAOS-FUHWJXTLSA-N	1	0	358.417	1.952	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ncc(Cl)s2)C[C@H]1c1cnn(C)c1	ZINC001086987552	953010067	/nfs/dbraw/zinc/01/00/67/953010067.db2.gz	ZAMTTYSJFMURFS-NWDGAFQWSA-N	1	0	351.863	1.914	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ncc3ccccn32)C[C@H]1c1cnn(C)c1	ZINC001086987563	953010126	/nfs/dbraw/zinc/01/01/26/953010126.db2.gz	ZNQPCXQOKHFDDO-DLBZAZTESA-N	1	0	350.426	1.452	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1c1cnn(C)c1	ZINC001086989216	953013748	/nfs/dbraw/zinc/01/37/48/953013748.db2.gz	OUYGPOOAXBCTQJ-DLBZAZTESA-N	1	0	356.474	1.247	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(Cl)c(Cl)[nH]2)C[C@H]1c1cnn(C)c1	ZINC001086989879	953015683	/nfs/dbraw/zinc/01/56/83/953015683.db2.gz	YHPCZMYKVGMWNA-SMDDNHRTSA-N	1	0	366.252	1.886	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnc3n2CCCC3)C[C@H]1c1cnn(C)c1	ZINC001086992950	953025153	/nfs/dbraw/zinc/02/51/53/953025153.db2.gz	YTKKGJZUQDVZLK-JKSUJKDBSA-N	1	0	354.458	1.337	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccnc3[nH]cnc32)C[C@H]1c1cnn(C)c1	ZINC001086981330	953032262	/nfs/dbraw/zinc/03/22/62/953032262.db2.gz	DAGVYRKXEXNQHD-LSDHHAIUSA-N	1	0	351.414	1.075	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OCC)nc2)C[C@H]1c1cnn(C)c1	ZINC001086981359	953032348	/nfs/dbraw/zinc/03/23/48/953032348.db2.gz	FKHSQFJJRPTVFX-DLBZAZTESA-N	1	0	353.426	1.045	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(NC(C)=O)cn2)C[C@H]1c1cnn(C)c1	ZINC001086981974	953034277	/nfs/dbraw/zinc/03/42/77/953034277.db2.gz	NMBMUEJPXTYRSP-FUHWJXTLSA-N	1	0	368.441	1.157	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccnc(OCC)c2)C[C@H]1c1cnn(C)c1	ZINC001086996300	953036891	/nfs/dbraw/zinc/03/68/91/953036891.db2.gz	XYDYHNWOMWIQPK-DLBZAZTESA-N	1	0	353.426	1.045	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCC2CC2)C1	ZINC001086997868	953041431	/nfs/dbraw/zinc/04/14/31/953041431.db2.gz	FHYTYGSTNDZQEW-HCXYKTFWSA-N	1	0	358.486	1.695	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@H]1c1cnn(C)c1	ZINC001086998836	953043962	/nfs/dbraw/zinc/04/39/62/953043962.db2.gz	HMPPVMUMAXQFST-VQTJNVASSA-N	1	0	350.466	1.905	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3cc(F)ccc3O2)C[C@H]1c1cnn(C)c1	ZINC001086999496	953047273	/nfs/dbraw/zinc/04/72/73/953047273.db2.gz	IMZSHFJVWNDSGD-YQVWRLOYSA-N	1	0	370.428	1.633	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](NCC#N)C1)[NH+]1CCCCCC1	ZINC001087000824	953051975	/nfs/dbraw/zinc/05/19/75/953051975.db2.gz	PTGATJGDWZFWHD-BPQIPLTHSA-N	1	0	358.490	1.092	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2F)C[C@H]1c1cnn(C)c1	ZINC001087001123	953054279	/nfs/dbraw/zinc/05/42/79/953054279.db2.gz	FEFRKDAXQJWFSZ-HLNWXESRSA-N	1	0	366.440	1.880	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCCCCCC)C[C@H]1O	ZINC001196692066	971892374	/nfs/dbraw/zinc/89/23/74/971892374.db2.gz	SPXAOCCCZUAIEV-KZNAEPCWSA-N	1	0	353.507	1.589	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)c(C)c2)C[C@H]1c1cnn(C)c1	ZINC001087001816	953056310	/nfs/dbraw/zinc/05/63/10/953056310.db2.gz	QBXZXCWHROGDDL-ZWKOTPCHSA-N	1	0	352.438	1.568	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2C(C)(C)C)C[C@H]1c1cnn(C)c1	ZINC001087002194	953056812	/nfs/dbraw/zinc/05/68/12/953056812.db2.gz	MLHLCFATTQAATG-DOTOQJQBSA-N	1	0	370.501	1.835	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2noc3c2C[C@H](C)CC3)C[C@H]1c1cnn(C)c1	ZINC001087004176	953061219	/nfs/dbraw/zinc/06/12/19/953061219.db2.gz	JYVNKHVTZJYDQM-XOKHGSTOSA-N	1	0	367.453	1.364	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2cnccn2)C[C@H]1c1cnn(C)c1	ZINC001087004649	953062631	/nfs/dbraw/zinc/06/26/31/953062631.db2.gz	LAGHXVSKBLGWER-ZWKOTPCHSA-N	1	0	354.458	1.303	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)cc2OC)C[C@H]1c1cnn(C)c1	ZINC001087006903	953091249	/nfs/dbraw/zinc/09/12/49/953091249.db2.gz	ASEMBIMVKKJDHI-ZWKOTPCHSA-N	1	0	368.437	1.268	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(C)cc2)C[C@H]1c1cnn(C)c1	ZINC001087008443	953095701	/nfs/dbraw/zinc/09/57/01/953095701.db2.gz	GFXFDZIHSYCQOQ-LSTHTHJFSA-N	1	0	366.465	1.713	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2cccc(C)c2)C[C@H]1c1cnn(C)c1	ZINC001087008643	953095788	/nfs/dbraw/zinc/09/57/88/953095788.db2.gz	QLARUXSNSTZBDX-LSTHTHJFSA-N	1	0	366.465	1.713	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2nc(C)cc2C)C[C@H]1c1cnn(C)c1	ZINC001087009627	953098744	/nfs/dbraw/zinc/09/87/44/953098744.db2.gz	QAHSQVIZCDSPQH-YTQUADARSA-N	1	0	368.485	1.402	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)cn2)C[C@H]1c1cnn(C)c1	ZINC001087011895	953104971	/nfs/dbraw/zinc/10/49/71/953104971.db2.gz	WBAGVYXOTGQZBG-FUHWJXTLSA-N	1	0	354.458	1.265	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001087036110	953146868	/nfs/dbraw/zinc/14/68/68/953146868.db2.gz	YUPFSYFSRBKZLW-MZMPZRCHSA-N	1	0	358.417	1.810	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087053314	953185383	/nfs/dbraw/zinc/18/53/83/953185383.db2.gz	IUVVIZIWUAWTQF-RTBURBONSA-N	1	0	371.481	1.816	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1cnns1	ZINC001087046983	953195560	/nfs/dbraw/zinc/19/55/60/953195560.db2.gz	LNSJBGJVQPALLZ-IUODEOHRSA-N	1	0	360.443	1.005	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3cnc(C)o3)[C@H](OCC)C2)c1	ZINC001087082530	953241114	/nfs/dbraw/zinc/24/11/14/953241114.db2.gz	PMICZWGMKUABLH-IEBWSBKVSA-N	1	0	368.437	1.626	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnc(C)nc2)[C@H](OCC)C1	ZINC001087085399	953246836	/nfs/dbraw/zinc/24/68/36/953246836.db2.gz	BRGIQWORNBMBER-AKHDSKFASA-N	1	0	374.485	1.329	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccncn2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087092513	953257263	/nfs/dbraw/zinc/25/72/63/953257263.db2.gz	QARCNKOKHQDVMY-IEBWSBKVSA-N	1	0	365.437	1.615	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001087093660	953259677	/nfs/dbraw/zinc/25/96/77/953259677.db2.gz	WPTGJXXBHQWEBL-CXAGYDPISA-N	1	0	371.466	1.677	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)C1	ZINC001196781245	971929341	/nfs/dbraw/zinc/92/93/41/971929341.db2.gz	LBYIYOPSXPMJDT-WJFTUGDTSA-N	1	0	360.454	1.163	20	30		FDEDRO
CC[C@H](C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)[C@@H]1CC)[NH+](CC)CC	ZINC001091826445	953501621	/nfs/dbraw/zinc/50/16/21/953501621.db2.gz	YZMCJHRRXHJHBX-GVDBMIGSSA-N	1	0	358.490	1.942	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)Cc3cn4cc(F)ccc4n3)C[C@]2(C)C1	ZINC001091889875	953533228	/nfs/dbraw/zinc/53/32/28/953533228.db2.gz	VOVWFWTZXYBFCQ-QRWLVFNGSA-N	1	0	354.429	1.820	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(c3ncc(C#N)cc3F)C[C@H]2C1	ZINC001091860147	953584295	/nfs/dbraw/zinc/58/42/95/953584295.db2.gz	IELZEOLCQXBZPW-CVEARBPZSA-N	1	0	359.449	1.719	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CCN(c3cncc(C#N)n3)C[C@H]2C1	ZINC001091865922	953612078	/nfs/dbraw/zinc/61/20/78/953612078.db2.gz	QXIIHLZDVRHEHC-CABCVRRESA-N	1	0	356.474	1.363	20	30		FDEDRO
C[C@]1(C(=O)N2C[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@@]3(C)C2)CNC(=O)C1	ZINC001091876787	953646513	/nfs/dbraw/zinc/64/65/13/953646513.db2.gz	RZXHHSDHJUOAAF-UIFIKXQLSA-N	1	0	366.465	1.365	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cnn4c3nc(C)cc4C)C[C@]2(C)C1	ZINC001091903551	953666439	/nfs/dbraw/zinc/66/64/39/953666439.db2.gz	OONPMIWDYDTMRG-UZLBHIALSA-N	1	0	351.454	1.763	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+]([C@H]4CCCN(C)C4=O)C[C@@]3(C)C2)cc1	ZINC001091907333	953684251	/nfs/dbraw/zinc/68/42/51/953684251.db2.gz	UURGNJLQTQRDQF-DXIQSLLYSA-N	1	0	365.477	1.683	20	30		FDEDRO
Cn1c(C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@@]3(C)C2)c[nH]c1=O	ZINC001091915551	953707140	/nfs/dbraw/zinc/70/71/40/953707140.db2.gz	YUKZEHRUSXVAGZ-UZLBHIALSA-N	1	0	365.437	1.591	20	30		FDEDRO
C[C@]12CN(C(=O)C3(C(N)=O)CC3)C[C@H]1C[N@H+](Cc1cc(C#N)ccc1F)C2	ZINC001091971093	953779223	/nfs/dbraw/zinc/77/92/23/953779223.db2.gz	OXSIKFCJJYXZGN-BEFAXECRSA-N	1	0	370.428	1.243	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3COCCN3C3CCCC3)C[C@]2(C)C1	ZINC001091947062	953812465	/nfs/dbraw/zinc/81/24/65/953812465.db2.gz	YECWSMRGKCDNNT-LMNJBCLMSA-N	1	0	359.514	1.433	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ccn(C)c4C)C[C@]3(C)C2)C1=O	ZINC001091989335	953894039	/nfs/dbraw/zinc/89/40/39/953894039.db2.gz	RXXJZFQHEJUJOW-MMOPVJDHSA-N	1	0	370.497	1.514	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3C[N@H+](C[C@H]4CCCOC4)C[C@@]3(C)C2)c1	ZINC001091996993	953914602	/nfs/dbraw/zinc/91/46/02/953914602.db2.gz	GHDUKJLUJGNNST-QFUCXCTJSA-N	1	0	353.466	1.883	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(CCC(N)=O)cc3)C[C@]2(C)C1	ZINC001091998270	953919031	/nfs/dbraw/zinc/91/90/31/953919031.db2.gz	YPCDZZRCINEGRP-NQIIRXRSSA-N	1	0	353.466	1.522	20	30		FDEDRO
CC[NH+](CC)[C@@H](C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)[C@@H]1C)C(C)C	ZINC001091998391	953920542	/nfs/dbraw/zinc/92/05/42/953920542.db2.gz	RAMKMHFPBNOEOG-RVKKMQEKSA-N	1	0	358.490	1.798	20	30		FDEDRO
C[C@]12CN(C(=O)[C@]3(C)CCNC3=O)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001092008382	953951370	/nfs/dbraw/zinc/95/13/70/953951370.db2.gz	JJHHKOJJLHFTAX-JRGCBEDISA-N	1	0	366.465	1.365	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@H](NC(=O)CC[NH+]3CCCCC3)[C@H]2C)n1	ZINC001091976528	953970571	/nfs/dbraw/zinc/97/05/71/953970571.db2.gz	MWKYKHOOSYMDMS-WBVHZDCISA-N	1	0	370.501	1.870	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@H]1CCN(c2cncc(C#N)n2)[C@@H]1C)[NH+]1CCCCC1	ZINC001091979558	953976691	/nfs/dbraw/zinc/97/66/91/953976691.db2.gz	JZAOLKXTYZZTER-HHXXYDBFSA-N	1	0	370.501	1.942	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)c2ccccc2F)C1	ZINC001196933677	971977548	/nfs/dbraw/zinc/97/75/48/971977548.db2.gz	WCOSSFNIYAKSCK-IAGOWNOFSA-N	1	0	350.434	1.467	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCc3ccnn3C)C[C@@]2(C)C1	ZINC001092030081	954129076	/nfs/dbraw/zinc/12/90/76/954129076.db2.gz	QZNGXKDGJSDKSD-LBKNJMOBSA-N	1	0	358.486	1.334	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cc(C)[nH]c4C)C[C@]3(C)C2)C1=O	ZINC001092052830	954147389	/nfs/dbraw/zinc/14/73/89/954147389.db2.gz	ONZCXSXXAZUEQI-BLIXFSHQSA-N	1	0	370.497	1.812	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3C[N@@H+](Cc4cnc(C)o4)C[C@@]3(C)C2)nn1	ZINC001092080112	954226859	/nfs/dbraw/zinc/22/68/59/954226859.db2.gz	WQFYOAPJEVFMAX-KDOFPFPSSA-N	1	0	356.430	1.355	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3C[N@@H+](Cc4ncccc4C)C[C@@]3(C)C2)nn1	ZINC001092082406	954230041	/nfs/dbraw/zinc/23/00/41/954230041.db2.gz	XWGLSRUJSFYUDL-UZLBHIALSA-N	1	0	366.469	1.762	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCCN2CCOCC2)C1	ZINC001196939046	971997708	/nfs/dbraw/zinc/99/77/08/971997708.db2.gz	DITLBFJIKVQSBA-KZNAEPCWSA-N	1	0	353.507	1.005	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3ccnn3C)C[C@@]2(C)C1	ZINC001092090178	954381765	/nfs/dbraw/zinc/38/17/65/954381765.db2.gz	FZXFCMBIDMPFBV-HYJFEMIMSA-N	1	0	358.486	1.682	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cn(CC)cn4)C[C@]3(C)C2)C1=O	ZINC001092203566	954531995	/nfs/dbraw/zinc/53/19/95/954531995.db2.gz	CRLTVNQYVWGVJZ-MDYRTPRTSA-N	1	0	371.485	1.084	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@@]3(C)CCS(=O)(=O)N3)C[C@]2(C)C1	ZINC001092230811	954574638	/nfs/dbraw/zinc/57/46/38/954574638.db2.gz	MSCFXLCUNIAHCJ-BPQIPLTHSA-N	1	0	369.531	1.205	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@H+](CC(=O)N4CCCC4)C[C@@]3(C)C2)nc1	ZINC001092207199	954609406	/nfs/dbraw/zinc/60/94/06/954609406.db2.gz	DQNKGWYZQBVMJM-UTKZUKDTSA-N	1	0	366.465	1.079	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@H]2C[N@@H+](C[C@H](CC)OC)C[C@@]2(C)C1	ZINC001092209975	954615757	/nfs/dbraw/zinc/61/57/57/954615757.db2.gz	ASFVLVBAPYGMLZ-WWMYMODYSA-N	1	0	371.481	1.913	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(Cc4nccn4C)C[C@@]3(C)C2)CC1	ZINC001092300353	954749053	/nfs/dbraw/zinc/74/90/53/954749053.db2.gz	WCWCRDZGCRGLEN-NQIIRXRSSA-N	1	0	369.513	1.046	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CN(c3cncc(C#N)n3)C[C@@]2(C)C1	ZINC001092300719	954749859	/nfs/dbraw/zinc/74/98/59/954749859.db2.gz	DOOGNQWLQYBAOI-KUHUBIRLSA-N	1	0	356.474	1.363	20	30		FDEDRO
C[NH+](C)CCC(=O)N1C[C@H]2CN(c3nc(Cl)c(C#N)s3)C[C@@]2(C)C1	ZINC001092305412	954769246	/nfs/dbraw/zinc/76/92/46/954769246.db2.gz	PHAPTEBPTLOOOR-MEDUHNTESA-N	1	0	367.906	1.905	20	30		FDEDRO
Cn1cnc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2Nc2ncccc2C#N)c1	ZINC001092312401	954794251	/nfs/dbraw/zinc/79/42/51/954794251.db2.gz	MLNABFMZXUBQSL-DOTOQJQBSA-N	1	0	367.457	1.045	20	30		FDEDRO
Cc1nonc1C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@]2(C)C1	ZINC001092320114	954832542	/nfs/dbraw/zinc/83/25/42/954832542.db2.gz	FQWLJSSAJWVQNJ-APWZRJJASA-N	1	0	351.410	1.844	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cnc3sc(C)c(C)n3c2=O)CC1	ZINC000775755823	972048716	/nfs/dbraw/zinc/04/87/16/972048716.db2.gz	RBOFQZHDJVBDIL-UHFFFAOYSA-N	1	0	358.467	1.590	20	30		FDEDRO
C[C@]12CN(C(=O)CCC[NH+]3CCCC3)C[C@H]1CN(c1cncc(C#N)n1)C2	ZINC001092292122	954891232	/nfs/dbraw/zinc/89/12/32/954891232.db2.gz	VFDZGAYQNIUIEX-UZLBHIALSA-N	1	0	368.485	1.509	20	30		FDEDRO
C[C@]12CN(C(=O)CCC[NH+]3CCCC3)C[C@H]1CN(c1cnc(C#N)cn1)C2	ZINC001092292136	954892798	/nfs/dbraw/zinc/89/27/98/954892798.db2.gz	VYYJJYWZOAQNJJ-UZLBHIALSA-N	1	0	368.485	1.509	20	30		FDEDRO
Cc1cc(N2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)c(C#N)cn1	ZINC001092384529	954981870	/nfs/dbraw/zinc/98/18/70/954981870.db2.gz	BEDZJSGCBWRIGX-RHSMWYFYSA-N	1	0	359.474	1.028	20	30		FDEDRO
Cc1nc(N2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)ccc1C#N	ZINC001092385201	954983807	/nfs/dbraw/zinc/98/38/07/954983807.db2.gz	UFIFBFBXXLHOCF-RHSMWYFYSA-N	1	0	359.474	1.028	20	30		FDEDRO
C[C@@H]1CN(c2ccncc2C#N)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1	ZINC001092404834	955026521	/nfs/dbraw/zinc/02/65/21/955026521.db2.gz	CEXSQPADWOURKX-CRAIPNDOSA-N	1	0	355.486	1.874	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CNC(=O)CC1([NH+](C)C)CCCC1	ZINC001092426084	955067680	/nfs/dbraw/zinc/06/76/80/955067680.db2.gz	QYXBFWHGHZVMBR-HZPDHXFCSA-N	1	0	370.501	1.801	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)[C@H]1CCC(=O)N1	ZINC001092507996	955284458	/nfs/dbraw/zinc/28/44/58/955284458.db2.gz	OTCCQUSZZDHNAM-SRCQZFHVSA-N	1	0	358.417	1.160	20	30		FDEDRO
Cc1c(C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2C)nnn1C	ZINC001092518632	955303971	/nfs/dbraw/zinc/30/39/71/955303971.db2.gz	SPRDUWQECHKEEC-DGCLKSJQSA-N	1	0	358.471	1.555	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@@H]1CN(C)CCO1	ZINC001092521901	955312654	/nfs/dbraw/zinc/31/26/54/955312654.db2.gz	GXAFDWZLWVUGCI-LZQZEXGQSA-N	1	0	356.470	1.073	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC001092528264	955337835	/nfs/dbraw/zinc/33/78/35/955337835.db2.gz	ZSNCFPPFGALAJV-GDBMZVCRSA-N	1	0	357.458	1.197	20	30		FDEDRO
Cc1cc(C)n(CC[N@@H+]2C[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)n1	ZINC001092551099	955400848	/nfs/dbraw/zinc/40/08/48/955400848.db2.gz	JGJDQKVWCPSXSZ-CZUORRHYSA-N	1	0	354.458	1.698	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC001092553267	955415893	/nfs/dbraw/zinc/41/58/93/955415893.db2.gz	LRQFWRJTDDPUNJ-BFYDXBDKSA-N	1	0	371.485	1.443	20	30		FDEDRO
COc1cncc(C[N@H+]2C[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)n1	ZINC001092555019	955424426	/nfs/dbraw/zinc/42/44/26/955424426.db2.gz	MWHSOTYBPYIWMY-TZMCWYRMSA-N	1	0	354.414	1.183	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)c1cncnc1	ZINC001092560038	955450358	/nfs/dbraw/zinc/45/03/58/955450358.db2.gz	BOFAVSHPXRGPKY-CXAGYDPISA-N	1	0	353.401	1.985	20	30		FDEDRO
Cc1nc(N2C[C@@H](C)[C@H](CCNC(=O)C34CC[NH+](CC3)C4)C2)ccc1C#N	ZINC001092531484	955491311	/nfs/dbraw/zinc/49/13/11/955491311.db2.gz	HLYZGUVDNJDFRM-CRAIPNDOSA-N	1	0	367.497	1.936	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3ncccc3C)[C@H](C)C2)C1=O	ZINC001092534724	955510844	/nfs/dbraw/zinc/51/08/44/955510844.db2.gz	PUOSDZIXHWPTPG-BRWVUGGUSA-N	1	0	356.470	1.475	20	30		FDEDRO
CCn1nncc1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1C	ZINC001092588443	955561435	/nfs/dbraw/zinc/56/14/35/955561435.db2.gz	GQOMDEGWIUQDML-CZUORRHYSA-N	1	0	370.432	1.807	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC001092573470	955688624	/nfs/dbraw/zinc/68/86/24/955688624.db2.gz	RGPUHFAZGLQURK-LTIDMASMSA-N	1	0	370.501	1.657	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3c(C)coc3C)[C@H](C)C2)C1=O	ZINC001092582974	955727130	/nfs/dbraw/zinc/72/71/30/955727130.db2.gz	BMUDLHWYRHJLTI-KBRIMQKVSA-N	1	0	359.470	1.981	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1CCNc1ccnc(C#N)n1	ZINC001092618810	955841304	/nfs/dbraw/zinc/84/13/04/955841304.db2.gz	MWDPATPXBCUASJ-HZPDHXFCSA-N	1	0	358.490	1.399	20	30		FDEDRO
CC(C)[C@H](C(=O)NC[C@]12CCC[C@H]1N(c1cnc(C#N)cn1)CC2)[NH+](C)C	ZINC001092700432	956088822	/nfs/dbraw/zinc/08/88/22/956088822.db2.gz	BGGKXQUYUHRXJS-YVWKXTFCSA-N	1	0	370.501	1.800	20	30		FDEDRO
C[NH+](C)C1(C(=O)NC[C@]23CCC[C@H]2N(c2nccnc2C#N)CC3)CCC1	ZINC001092705234	956117234	/nfs/dbraw/zinc/11/72/34/956117234.db2.gz	WPCVYIPMHCUZNO-VQIMIIECSA-N	1	0	368.485	1.698	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC001092725449	956125434	/nfs/dbraw/zinc/12/54/34/956125434.db2.gz	KXLRUXFMYOVJQC-XNFNUYLZSA-N	1	0	370.497	1.461	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)[C@H]1CCCC(=O)N1	ZINC001092707999	956132729	/nfs/dbraw/zinc/13/27/29/956132729.db2.gz	RJBUCMNMZFMEPQ-XJKCOSOUSA-N	1	0	360.483	1.473	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)nc2C)C[C@H]1C	ZINC001092689914	956197875	/nfs/dbraw/zinc/19/78/75/956197875.db2.gz	RJMOUYUCDJPSOV-HBGVWJBISA-N	1	0	368.525	1.980	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1C	ZINC001092689952	956198720	/nfs/dbraw/zinc/19/87/20/956198720.db2.gz	UJFSPNFDSCYQDV-OIISXLGYSA-N	1	0	353.457	1.813	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1)[NH+]1CCCC1	ZINC001092850774	956458384	/nfs/dbraw/zinc/45/83/84/956458384.db2.gz	ZGVVJZMVBGUOEW-DRMAHVMPSA-N	1	0	368.485	1.695	20	30		FDEDRO
N#Cc1cncc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCCCC2)C3)n1	ZINC001092844008	956476226	/nfs/dbraw/zinc/47/62/26/956476226.db2.gz	CZQWKWRCBIBRGD-IKGGRYGDSA-N	1	0	354.458	1.450	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3cncc(OC)n3)C[C@H]2C)cc1	ZINC001092876287	956622310	/nfs/dbraw/zinc/62/23/10/956622310.db2.gz	APAMRKVXJONFLA-CRAIPNDOSA-N	1	0	364.449	1.964	20	30		FDEDRO
COc1nn(C)cc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C	ZINC001092882130	956649474	/nfs/dbraw/zinc/64/94/74/956649474.db2.gz	MCAPGFGETMSKRA-RHSMWYFYSA-N	1	0	367.453	1.798	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)c1c[nH]c(=O)n1C	ZINC001092886362	956672514	/nfs/dbraw/zinc/67/25/14/956672514.db2.gz	RZWHXJGIRUCQHA-GDBMZVCRSA-N	1	0	370.428	1.614	20	30		FDEDRO
Cc1nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C3)ccc1C#N	ZINC001092886658	956674500	/nfs/dbraw/zinc/67/45/00/956674500.db2.gz	NVFYDLRZGZBFLP-DFEOGRTESA-N	1	0	353.470	1.828	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@H]1CCCCC(=O)N1	ZINC001092960048	956911829	/nfs/dbraw/zinc/91/18/29/956911829.db2.gz	RALKEYCJKIJKCV-ATZDWAIDSA-N	1	0	368.481	1.801	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3nnc(C)n3C1)C2	ZINC001110138487	956933795	/nfs/dbraw/zinc/93/37/95/956933795.db2.gz	UNMQSNJJKYTNLZ-NCOADZHNSA-N	1	0	359.474	1.073	20	30		FDEDRO
C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2ncccc2C(F)(F)F)C1	ZINC001197442180	972232447	/nfs/dbraw/zinc/23/24/47/972232447.db2.gz	UGPOYMCNMHGCBH-CHWSQXEVSA-N	1	0	359.348	1.078	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1)[NH+]1CCCC1	ZINC001092981995	956986800	/nfs/dbraw/zinc/98/68/00/956986800.db2.gz	HQONVCUHPAJKAU-VXIBKDFQSA-N	1	0	368.485	1.695	20	30		FDEDRO
N#Cc1ccc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCC[NH+]2CCCC2)C3)nn1	ZINC001092989167	957056879	/nfs/dbraw/zinc/05/68/79/957056879.db2.gz	GAEBMWVAUYUZGA-KURKYZTESA-N	1	0	368.485	1.840	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](CCOC[C@H]2CCCO2)CC1	ZINC001197411411	972237890	/nfs/dbraw/zinc/23/78/90/972237890.db2.gz	QCWFNQYOKKDYDF-QYZOEREBSA-N	1	0	366.502	1.698	20	30		FDEDRO
CCc1nc(C#N)cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCC[NH+](C)C)C3)n1	ZINC001092995274	957085634	/nfs/dbraw/zinc/08/56/34/957085634.db2.gz	ASCITCXNLVQJRP-ZACQAIPSSA-N	1	0	370.501	1.868	20	30		FDEDRO
CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N)C(C)C	ZINC001092999967	957101033	/nfs/dbraw/zinc/10/10/33/957101033.db2.gz	YVHIGFIORNLHEF-LMSBXDPUSA-N	1	0	370.501	1.941	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1	ZINC001093018928	957145026	/nfs/dbraw/zinc/14/50/26/957145026.db2.gz	PEKWIVCKZNEMDZ-FPCVCCKLSA-N	1	0	360.437	1.254	20	30		FDEDRO
Cc1cc(C#N)nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2([NH+](C)C)CCC2)C3)n1	ZINC001093022833	957158730	/nfs/dbraw/zinc/15/87/30/957158730.db2.gz	FXHKHDHDKZIWOC-OAGGEKHMSA-N	1	0	354.458	1.367	20	30		FDEDRO
COc1cncc(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)n1	ZINC001093027434	957176083	/nfs/dbraw/zinc/17/60/83/957176083.db2.gz	YLCBWJKXOGIITI-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
COc1cncc(C(=O)NC[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2C)n1	ZINC001093027416	957176469	/nfs/dbraw/zinc/17/64/69/957176469.db2.gz	XICOMLJVZIMZIF-SJLPKXTDSA-N	1	0	364.449	1.835	20	30		FDEDRO
Cc1cc(C#N)nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C3)n1	ZINC001093047324	957213139	/nfs/dbraw/zinc/21/31/39/957213139.db2.gz	MYLZWSZGJXDTIL-ZACQAIPSSA-N	1	0	370.501	1.861	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2csc(-c3nc[nH]n3)n2)[C@H](C)C1	ZINC001093047302	957213323	/nfs/dbraw/zinc/21/33/23/957213323.db2.gz	LYHSPYIIOWBPLH-MWLCHTKSSA-N	1	0	366.878	1.978	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1CNC(=O)c1cnn(C)n1	ZINC001093051878	957226097	/nfs/dbraw/zinc/22/60/97/957226097.db2.gz	KWJIUCAAFXTITQ-GDBMZVCRSA-N	1	0	371.872	1.818	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1	ZINC001093058082	957279536	/nfs/dbraw/zinc/27/95/36/957279536.db2.gz	ZNRCYRTVZRQLFY-VQHPVUNQSA-N	1	0	354.458	1.449	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2CN(c2ccc(C#N)nn2)C3)CC1	ZINC001093104994	957458734	/nfs/dbraw/zinc/45/87/34/957458734.db2.gz	RTHWSNREYBHQKO-LIRRHRJNSA-N	1	0	354.458	1.165	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC)C[C@H]1C	ZINC001093120025	957572657	/nfs/dbraw/zinc/57/26/57/957572657.db2.gz	ZLTWWFQMRWSMGJ-QLFBSQMISA-N	1	0	360.458	1.079	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3cccnc3OC)C[C@H]2C)nc1	ZINC001093137744	957630140	/nfs/dbraw/zinc/63/01/40/957630140.db2.gz	IUONVNKVMWNNBL-CRAIPNDOSA-N	1	0	364.449	1.964	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3cc(Cl)no3)[C@H](C)C2)C1=O	ZINC001093149366	957651112	/nfs/dbraw/zinc/65/11/12/957651112.db2.gz	YUFVPKLDDDZBHW-UPJWGTAASA-N	1	0	366.849	1.413	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@@H]1CCCC(=O)N1C	ZINC001093168132	957726561	/nfs/dbraw/zinc/72/65/61/957726561.db2.gz	QCNUNSGCQGRQMF-LZQZEXGQSA-N	1	0	368.481	1.753	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)c1ccn(C)n1	ZINC001093197578	957767424	/nfs/dbraw/zinc/76/74/24/957767424.db2.gz	WBJFJZWMAUEPIR-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)c1c[nH]c(C(N)=O)c1	ZINC001093198214	957768304	/nfs/dbraw/zinc/76/83/04/957768304.db2.gz	JLPIJKTWMOQELG-DGCLKSJQSA-N	1	0	371.466	1.545	20	30		FDEDRO
CC(C)N1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)C1=O	ZINC001093273737	957943093	/nfs/dbraw/zinc/94/30/93/957943093.db2.gz	FTTKYLQERLDHEE-DJIMGWMZSA-N	1	0	371.485	1.583	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)/C=C\c3ccc[nH]3)C[C@H]2C)C1=O	ZINC001093274052	957944216	/nfs/dbraw/zinc/94/42/16/957944216.db2.gz	KMQVANWBRQVJQE-LODFWXGWSA-N	1	0	370.497	1.889	20	30		FDEDRO
C=CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)CCO2	ZINC001093400153	958038242	/nfs/dbraw/zinc/03/82/42/958038242.db2.gz	IJNLPNZIPGSPQM-FXQQTDPRSA-N	1	0	351.491	1.021	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cnn(C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093438046	958071065	/nfs/dbraw/zinc/07/10/65/958071065.db2.gz	YMLASCGSSGJABW-JYBIWHBTSA-N	1	0	360.502	1.505	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(=O)n(C)o3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093441550	958077855	/nfs/dbraw/zinc/07/78/55/958077855.db2.gz	BKHKXTKADXEHFZ-BCXHYRKLSA-N	1	0	363.458	1.134	20	30		FDEDRO
Cc1nocc1C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C#CC3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093442930	958082066	/nfs/dbraw/zinc/08/20/66/958082066.db2.gz	MDBAJJIWINCNQM-UKAVVXHISA-N	1	0	371.481	1.863	20	30		FDEDRO
Cc1cc(C[NH2+][C@@H]2C[C@]3(CN(C(=O)C#CC4CC4)[C@H]3C(C)C)C[C@H]2O)on1	ZINC001093443564	958085780	/nfs/dbraw/zinc/08/57/80/958085780.db2.gz	RQSXSGRKLWEXKL-RMVXJAJNSA-N	1	0	371.481	1.863	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)C#CC2CC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCn1cccn1)C2	ZINC001093444125	958087747	/nfs/dbraw/zinc/08/77/47/958087747.db2.gz	ZSEVUWIKZKEGIG-QCFAMHMHSA-N	1	0	370.497	1.263	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(C)(C)O)[C@H]2C(C)C)C[C@H]1O	ZINC001093446934	958097613	/nfs/dbraw/zinc/09/76/13/958097613.db2.gz	OAPGBBDGIVYOAR-AHEZYBDSSA-N	1	0	358.910	1.866	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(CC)ccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093447402	958100055	/nfs/dbraw/zinc/10/00/55/958100055.db2.gz	VGGHYFWGXNKQDQ-XCJLJZCSSA-N	1	0	355.482	1.857	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(F)cncc3F)[C@@H]2C(C)C)C[C@H]1O	ZINC001093448485	958108492	/nfs/dbraw/zinc/10/84/92/958108492.db2.gz	KGVDBGFAWNDOPF-FXRXJOCMSA-N	1	0	363.408	1.573	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)C(N)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001093451799	958135459	/nfs/dbraw/zinc/13/54/59/958135459.db2.gz	YMRCYWIWUNTLAF-UHQDVWGKSA-N	1	0	371.909	1.217	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc4nc[nH]c4n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093451809	958135785	/nfs/dbraw/zinc/13/57/85/958135785.db2.gz	YOIUTJVQHWBFKG-WWNBULGVSA-N	1	0	367.453	1.171	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc4nccn43)[C@H]2C(C)C)C[C@H]1O	ZINC001093460022	958186354	/nfs/dbraw/zinc/18/63/54/958186354.db2.gz	XKGRXMVUFYFZRM-QSRMWPQZSA-N	1	0	366.465	1.547	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C)c(=O)[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093461392	958194008	/nfs/dbraw/zinc/19/40/08/958194008.db2.gz	IMVXOAQERBADEP-RGPZOAQRSA-N	1	0	362.474	1.282	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3cn[nH]n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093464601	958201037	/nfs/dbraw/zinc/20/10/37/958201037.db2.gz	CPVRZPSCWUPZIR-FPAYPSAMSA-N	1	0	361.490	1.280	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(CC)nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093464762	958202067	/nfs/dbraw/zinc/20/20/67/958202067.db2.gz	DAGYXRCYPNSAGW-XSYGEPLQSA-N	1	0	358.486	1.424	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3coc(C4CC4)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093465620	958203893	/nfs/dbraw/zinc/20/38/93/958203893.db2.gz	IPPZRXGIOFKCAP-PYQAKABTSA-N	1	0	357.454	1.765	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3nccc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093465709	958204957	/nfs/dbraw/zinc/20/49/57/958204957.db2.gz	JEMCUPMGTHEXMV-LFGUQSLTSA-N	1	0	360.502	1.734	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)nn3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093466143	958207386	/nfs/dbraw/zinc/20/73/86/958207386.db2.gz	LWXYSGKMEKFYJB-DLVXIWMQSA-N	1	0	360.502	1.977	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cnc[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093466120	958207510	/nfs/dbraw/zinc/20/75/10/958207510.db2.gz	LNQGYVUSCAFMPE-JOCBIADPSA-N	1	0	366.893	1.671	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnc(OCC)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093467089	958211821	/nfs/dbraw/zinc/21/18/21/958211821.db2.gz	SFQRWMMUAWWXMM-PLOVASNDSA-N	1	0	371.481	1.693	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(CCC=C)nn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093470169	958226986	/nfs/dbraw/zinc/22/69/86/958226986.db2.gz	QKZKKSBPEMHCPG-UIXUWTQFSA-N	1	0	371.485	1.067	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CC=C)C3)[C@@H]2C(C)C)nc1	ZINC001093471236	958233020	/nfs/dbraw/zinc/23/30/20/958233020.db2.gz	CKFPXTZZTNFAOZ-BNDYYXHWSA-N	1	0	353.466	1.829	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3oc(CC)nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093472340	958238132	/nfs/dbraw/zinc/23/81/32/958238132.db2.gz	KIXOXZFIDZJHBA-DZJHOTPTSA-N	1	0	359.470	1.758	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c4c(nn3C)CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093473963	958245821	/nfs/dbraw/zinc/24/58/21/958245821.db2.gz	QIHIOLIRZKTZBG-VGUOSERISA-N	1	0	370.497	1.122	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(CCC)on3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093474832	958249845	/nfs/dbraw/zinc/24/98/45/958249845.db2.gz	WVZBSYKURPHHNT-SOAMZJECSA-N	1	0	359.470	1.840	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COc3ccccc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093477210	958256832	/nfs/dbraw/zinc/25/68/32/958256832.db2.gz	FYOLQCQPFOHQMP-RPHTVSPISA-N	1	0	370.493	1.973	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCn3ccnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093454947	958270317	/nfs/dbraw/zinc/27/03/17/958270317.db2.gz	IODCWRUUVONZTR-HNBVOPMISA-N	1	0	360.502	1.815	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3occ4c3CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093454998	958270577	/nfs/dbraw/zinc/27/05/77/958270577.db2.gz	ISHXROQVDRUNLH-ZJSJBZJDSA-N	1	0	356.466	1.981	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C(N)=O)o3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093457451	958280035	/nfs/dbraw/zinc/28/00/35/958280035.db2.gz	JRJYXTMKTYJAMV-XBQLXHJASA-N	1	0	361.442	1.144	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3n[nH]c4c3CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093458293	958283441	/nfs/dbraw/zinc/28/34/41/958283441.db2.gz	NCGVAIRRAWOKKP-HBXLWWENSA-N	1	0	356.470	1.111	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nc(C)c(C)s3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093478309	958294085	/nfs/dbraw/zinc/29/40/85/958294085.db2.gz	DRCWWPIUYJXWHD-NNFUDEMPSA-N	1	0	361.511	1.973	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3csc(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093478593	958295067	/nfs/dbraw/zinc/29/50/67/958295067.db2.gz	RJPSCTONYJMCSG-RWQQGDIJSA-N	1	0	361.511	1.593	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nonc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093479158	958297552	/nfs/dbraw/zinc/29/75/52/958297552.db2.gz	IGLCNDGGPJNGHQ-LGWLGOQQSA-N	1	0	368.865	1.710	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccc(C)nc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093480464	958302505	/nfs/dbraw/zinc/30/25/05/958302505.db2.gz	KCEYLLKYNBDTSW-RMVXJAJNSA-N	1	0	355.482	1.532	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C)nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093480978	958305759	/nfs/dbraw/zinc/30/57/59/958305759.db2.gz	QYCKQXREJRLUOS-XCJLJZCSSA-N	1	0	355.482	1.911	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)CC[NH+]2CCCCC2)C[C@@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001093481488	958307512	/nfs/dbraw/zinc/30/75/12/958307512.db2.gz	XEYDYKNVOZNXCI-HNBVOPMISA-N	1	0	362.518	1.352	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cn3cccn3)C[C@H]2C)cc1C#N	ZINC001093634961	958397635	/nfs/dbraw/zinc/39/76/35/958397635.db2.gz	CVGMURZIUPMLBL-CRAIPNDOSA-N	1	0	367.453	1.648	20	30		FDEDRO
C#C[C@H]([NH2+][C@H](C)C(=O)NCCc1ccc2c(c1)OCCO2)[C@@H]1CCCO1	ZINC000775783959	972353506	/nfs/dbraw/zinc/35/35/06/972353506.db2.gz	FXYNWRDWVCVMSW-PVAVHDDUSA-N	1	0	358.438	1.275	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2nnc[nH]2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001093699471	958565765	/nfs/dbraw/zinc/56/57/65/958565765.db2.gz	ZUQGFOFCNPZTRE-CZUORRHYSA-N	1	0	370.432	1.632	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001093715990	958586276	/nfs/dbraw/zinc/58/62/76/958586276.db2.gz	XXJTYJLLOJKNTO-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1cn(C(C)(C)C)nn1	ZINC001093722573	958599460	/nfs/dbraw/zinc/59/94/60/958599460.db2.gz	PEZDAAAHCWFMQZ-ZIAGYGMSSA-N	1	0	369.473	1.731	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1ccn(C)c(=O)c1	ZINC001093726237	958612254	/nfs/dbraw/zinc/61/22/54/958612254.db2.gz	SKPROKOYHXRSRB-CZUORRHYSA-N	1	0	353.426	1.083	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001093752730	958679744	/nfs/dbraw/zinc/67/97/44/958679744.db2.gz	CNYCXMJLQUMGDD-IUODEOHRSA-N	1	0	356.405	1.324	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1nnc2n1CCCCC2	ZINC001093763885	958703479	/nfs/dbraw/zinc/70/34/79/958703479.db2.gz	BPSHGBLZROKUAU-NVXWUHKLSA-N	1	0	355.486	1.602	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+][C@H]2CCN(CC)C2=O)[C@H](C)C1	ZINC001093824747	958903198	/nfs/dbraw/zinc/90/31/98/958903198.db2.gz	ITRIWEIKNJOKTC-ZACQAIPSSA-N	1	0	358.486	1.593	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)cc2)[C@H](C)C1	ZINC001093832819	958925704	/nfs/dbraw/zinc/92/57/04/958925704.db2.gz	BEKHKGOZKPOUNA-QFUCXCTJSA-N	1	0	369.509	1.977	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093846398	958967430	/nfs/dbraw/zinc/96/74/30/958967430.db2.gz	JZYQWGQCCOXVBN-XJKCOSOUSA-N	1	0	360.483	1.473	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C3(F)CCCC3)C[C@H]2C)C1=O	ZINC001093877258	959091259	/nfs/dbraw/zinc/09/12/59/959091259.db2.gz	GENCHDIBJUVIIE-BZUAXINKSA-N	1	0	351.466	1.740	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3c(C)cncc3C)C[C@H]2C)C1=O	ZINC001093916148	959197180	/nfs/dbraw/zinc/19/71/80/959197180.db2.gz	UILWNDXTNANTJA-KZNAEPCWSA-N	1	0	370.497	1.783	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCCC(=O)N2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093905144	959285749	/nfs/dbraw/zinc/28/57/49/959285749.db2.gz	RANGQUIJIYNFPP-LZQZEXGQSA-N	1	0	368.481	1.801	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H]3CCN(CC=C)C3=O)[C@H](C)C2)cc1	ZINC001093957292	959350312	/nfs/dbraw/zinc/35/03/12/959350312.db2.gz	OGPYRWOHGPPGDR-NSISKUIASA-N	1	0	365.477	1.753	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CCc3ccccn3)C[C@H]2C)C1=O	ZINC001093960503	959360348	/nfs/dbraw/zinc/36/03/48/959360348.db2.gz	FQBCHRAVSVUQQD-LMMKCTJWSA-N	1	0	370.497	1.485	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093999858	959483880	/nfs/dbraw/zinc/48/38/80/959483880.db2.gz	KPHUWQMEEMHWRE-VXGBXAGGSA-N	1	0	357.439	1.201	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3ccc(Cl)[nH]3)C[C@H]2C)C1=O	ZINC001094026090	959547127	/nfs/dbraw/zinc/54/71/27/959547127.db2.gz	SVSRMRYQMRITQW-MGPQQGTHSA-N	1	0	364.877	1.753	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc(=O)n2C)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001094030748	959557716	/nfs/dbraw/zinc/55/77/16/959557716.db2.gz	RTLHUQUBSBLUGB-ZIAGYGMSSA-N	1	0	370.478	1.816	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001094037014	959576381	/nfs/dbraw/zinc/57/63/81/959576381.db2.gz	LCLFZMKAEROODP-WIBUTAKZSA-N	1	0	354.454	1.269	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001094037596	959580139	/nfs/dbraw/zinc/58/01/39/959580139.db2.gz	YFROFOBFNAKKDL-SNUQEOBHSA-N	1	0	360.483	1.330	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](C[NH2+]Cc2nnc3n2CCOC3)[C@H](C)C1	ZINC001094015516	959657181	/nfs/dbraw/zinc/65/71/81/959657181.db2.gz	FKKDMVMHAHTPDZ-SPYBWZPUSA-N	1	0	361.490	1.595	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001094067612	959686749	/nfs/dbraw/zinc/68/67/49/959686749.db2.gz	ZEIHZSHUVRFHTF-CXAGYDPISA-N	1	0	353.401	1.985	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001094074511	959700491	/nfs/dbraw/zinc/70/04/91/959700491.db2.gz	FBLIZKFJXONZLP-NVXWUHKLSA-N	1	0	367.453	1.739	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3cncc(F)c3)[C@H](C)C2)nn1	ZINC001094095570	959772225	/nfs/dbraw/zinc/77/22/25/959772225.db2.gz	UMEHMHGFKZTVCW-UKRRQHHQSA-N	1	0	358.421	1.496	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)[nH]2)[C@H](C)C1	ZINC001094099015	959781285	/nfs/dbraw/zinc/78/12/85/959781285.db2.gz	SXUMFGJQTUXVTB-KBEGMRNHSA-N	1	0	361.490	1.669	20	30		FDEDRO
Cc1cc(NCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)c(C#N)cn1	ZINC001094131952	959854460	/nfs/dbraw/zinc/85/44/60/959854460.db2.gz	IRBJZQBNIXTKFW-MOPGFXCFSA-N	1	0	363.465	1.557	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cc(C)ncn2)[C@H](C)C1	ZINC001094103355	959885108	/nfs/dbraw/zinc/88/51/08/959885108.db2.gz	NBZDFQCYURRUQD-JZGRTCEGSA-N	1	0	358.486	1.950	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2C)[C@H](C)C1	ZINC001094159103	959930817	/nfs/dbraw/zinc/93/08/17/959930817.db2.gz	YPSSTXBNOSDOSC-HUUCEWRRSA-N	1	0	370.457	1.273	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ccnc(OC)c3)[C@H](C)C2)nc1	ZINC001094172691	959971539	/nfs/dbraw/zinc/97/15/39/959971539.db2.gz	VZZPZQUSFRQJQV-CRAIPNDOSA-N	1	0	364.449	1.964	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C	ZINC001094253887	960196383	/nfs/dbraw/zinc/19/63/83/960196383.db2.gz	GTMIANBUFRVSMW-CRAIPNDOSA-N	1	0	367.453	1.648	20	30		FDEDRO
C=C(C)CC[NH+]1CC(n2cc(CNC(=O)[C@H]3CCO[C@H]3C(=C)C)nn2)C1	ZINC001094327602	960264015	/nfs/dbraw/zinc/26/40/15/960264015.db2.gz	HEGXNENMYWLJML-ROUUACIJSA-N	1	0	359.474	1.698	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@@]3(CNC(=O)c4ccn(C)c4)CCC[C@@H]23)C1=O	ZINC001094393839	960342607	/nfs/dbraw/zinc/34/26/07/960342607.db2.gz	ZEDSZKJEDFCJCX-DBXWQHBBSA-N	1	0	370.497	1.786	20	30		FDEDRO
CN(C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C#N)[nH]3)CCC[C@@H]12)C1CC1	ZINC001094394014	960342988	/nfs/dbraw/zinc/34/29/88/960342988.db2.gz	AEJUNQWVNBWPCU-YLJYHZDGSA-N	1	0	369.469	1.482	20	30		FDEDRO
N#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCn2cccn2)CC3)[nH]1	ZINC001094396048	960345381	/nfs/dbraw/zinc/34/53/81/960345381.db2.gz	LCKLNGSWZMCPMS-IEBWSBKVSA-N	1	0	352.442	1.757	20	30		FDEDRO
C#C[C@H]([NH2+][C@H](C)C(=O)NCCc1ccc(OC)c(OC)c1)[C@@H]1CCCO1	ZINC000775790830	972498771	/nfs/dbraw/zinc/49/87/71/972498771.db2.gz	JCIZTLHFIRGMDR-PVAVHDDUSA-N	1	0	360.454	1.521	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccccc3OCC(N)=O)CCC[C@@H]12	ZINC001094463336	960462091	/nfs/dbraw/zinc/46/20/91/960462091.db2.gz	LLMJWBMXNDETFB-WIYYLYMNSA-N	1	0	369.465	1.548	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4c(c3)nnn4C)CCC[C@@H]12	ZINC001094444870	960510436	/nfs/dbraw/zinc/51/04/36/960510436.db2.gz	BLCZBYZTSBXNAH-UYAOXDASSA-N	1	0	351.454	1.966	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cn4c(n3)C[C@@H](OC)CC4)CCC[C@@H]12	ZINC001094445040	960513374	/nfs/dbraw/zinc/51/33/74/960513374.db2.gz	NWXMWLQZAWQCED-YRISNDGFSA-N	1	0	370.497	1.842	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(=O)n(CCOC)c3)CCC[C@@H]12	ZINC001094457918	960556293	/nfs/dbraw/zinc/55/62/93/960556293.db2.gz	DAAZYRJGBBMXDH-WIYYLYMNSA-N	1	0	371.481	1.492	20	30		FDEDRO
N#Cc1ccccc1C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCNC3=O)CCC[C@@H]12	ZINC001094487795	960577715	/nfs/dbraw/zinc/57/77/15/960577715.db2.gz	BFUDCVIBJFLGRJ-WAOWUJCRSA-N	1	0	366.465	1.555	20	30		FDEDRO
C#C[C@H]([NH2+]CCOc1ccc(S(=O)(=O)N(C)C)cc1)[C@H]1CCCO1	ZINC000775792878	972520077	/nfs/dbraw/zinc/52/00/77/972520077.db2.gz	IVDUKQAQECQDIH-DLBZAZTESA-N	1	0	352.456	1.086	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4c(c3)nnn4C)CCC[C@@H]12	ZINC001094471070	960637668	/nfs/dbraw/zinc/63/76/68/960637668.db2.gz	IVXMJGHQZMSESY-VQIMIIECSA-N	1	0	352.442	1.361	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)c3cn(C)c(=O)cn3)CCC[C@@H]12	ZINC001094474193	960641799	/nfs/dbraw/zinc/64/17/99/960641799.db2.gz	QUXIRFFFGYLTEM-RHSMWYFYSA-N	1	0	350.850	1.507	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(-n4cnnn4)cn3)CCC[C@@H]12	ZINC001094478657	960656527	/nfs/dbraw/zinc/65/65/27/960656527.db2.gz	ZFTVAXBUILEPPO-IEBWSBKVSA-N	1	0	365.441	1.055	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)N(C)C)CC3)c1	ZINC001094508933	960688888	/nfs/dbraw/zinc/68/88/88/960688888.db2.gz	WYJFZEPPNQLNGK-YLJYHZDGSA-N	1	0	354.454	1.126	20	30		FDEDRO
Cn1ncc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2ccccc2C#N)CC3)n1	ZINC001094535078	960752869	/nfs/dbraw/zinc/75/28/69/960752869.db2.gz	YOGBLXUJGLQFBQ-UYAOXDASSA-N	1	0	364.453	1.861	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cn4nc(C)cc4[nH]c3=O)CCC[C@@H]12	ZINC001094537169	960760765	/nfs/dbraw/zinc/76/07/65/960760765.db2.gz	PGSJRQKMDAIKIO-OXQOHEQNSA-N	1	0	367.453	1.329	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)c3cn(C)c(=O)n3C)CCC[C@@H]12	ZINC001094586253	960949978	/nfs/dbraw/zinc/94/99/78/960949978.db2.gz	GPKHLUVKHZCTEB-RHSMWYFYSA-N	1	0	352.866	1.451	20	30		FDEDRO
C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1	ZINC000773945876	961101543	/nfs/dbraw/zinc/10/15/43/961101543.db2.gz	ZHCKTAGKXQUECD-GFCCVEGCSA-N	1	0	351.834	1.699	20	30		FDEDRO
CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	ZINC001171878460	961317753	/nfs/dbraw/zinc/31/77/53/961317753.db2.gz	LFBMAOGXRUTXNR-QRVBRYPASA-N	1	0	365.518	1.154	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	ZINC001171849846	961325205	/nfs/dbraw/zinc/32/52/05/961325205.db2.gz	NKDIYEUMUJDKDH-MUQADHOPSA-N	1	0	351.491	1.368	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1ccnn1C	ZINC001171884951	961340302	/nfs/dbraw/zinc/34/03/02/961340302.db2.gz	XTVRKMJAJWKTFK-BZUAXINKSA-N	1	0	361.490	1.090	20	30		FDEDRO
C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](C3C[C@@H]4COC[C@H](C3)N4C)C2)C1	ZINC001172136113	961477187	/nfs/dbraw/zinc/47/71/87/961477187.db2.gz	XQKALFBLDMDNJS-DLZDZTESSA-N	1	0	363.502	1.959	20	30		FDEDRO
C=CCOC(=O)C[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)OCC=C	ZINC001172113717	961494224	/nfs/dbraw/zinc/49/42/24/961494224.db2.gz	JIYRINDTEFHUEI-NXOAAHMSSA-N	1	0	350.459	1.808	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O	ZINC001172304685	961615412	/nfs/dbraw/zinc/61/54/12/961615412.db2.gz	OZAWOYSEHALBAT-CYBMUJFWSA-N	1	0	374.466	1.585	20	30		FDEDRO
CC(=O)N1CCO[C@@]2(C1)COCC[N@@H+]([C@@H](C)Cc1ccc(C#N)cc1)C2	ZINC001172304922	961616047	/nfs/dbraw/zinc/61/60/47/961616047.db2.gz	BLOTWGGJEPWASC-JXFKEZNVSA-N	1	0	357.454	1.439	20	30		FDEDRO
C[C@H](CCCC#N)N([C@@H]1CC[NH2+][C@H]1Cc1cnn(C)c1)S(C)(=O)=O	ZINC001172497076	961687637	/nfs/dbraw/zinc/68/76/37/961687637.db2.gz	XOCZVAIGZMKFLX-VNQPRFMTSA-N	1	0	353.492	1.037	20	30		FDEDRO
CN1CCN(C(=[NH2+])N[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1	ZINC001172976056	961860459	/nfs/dbraw/zinc/86/04/59/961860459.db2.gz	LJFRYKPIKKPUBM-KBPBESRZSA-N	1	0	350.467	1.050	20	30		FDEDRO
C#C[C@H](NC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@H]1CCCO1	ZINC000773365547	961966568	/nfs/dbraw/zinc/96/65/68/961966568.db2.gz	VMVWYUKMDGRNLW-SLFFLAALSA-N	1	0	370.497	1.455	20	30		FDEDRO
CCCCCCCCC[C@@H](CCC)[NH2+]CC(=O)NCC(=O)NCC(N)=O	ZINC001173284351	962001044	/nfs/dbraw/zinc/00/10/44/962001044.db2.gz	FOFKIPCQQDLQOK-MRXNPFEDSA-N	1	0	370.538	1.603	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+]Cc3cn4cccnc4n3)CC2)cc1	ZINC001173420756	962086377	/nfs/dbraw/zinc/08/63/77/962086377.db2.gz	FOOBLUXIYNGZCJ-UHFFFAOYSA-N	1	0	360.421	1.995	20	30		FDEDRO
COCC1([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CCOCC1	ZINC001173428708	962143372	/nfs/dbraw/zinc/14/33/72/962143372.db2.gz	TVDQWIVZTBZOMV-UHFFFAOYSA-N	1	0	357.454	1.948	20	30		FDEDRO
CNC(=O)C1CC[NH+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1	ZINC001173428902	962144108	/nfs/dbraw/zinc/14/41/08/962144108.db2.gz	NDAJSDAOSYIMBV-UHFFFAOYSA-N	1	0	354.454	1.621	20	30		FDEDRO
COC[C@]12COC[C@H]1C[N@@H+](C1CCN(C(=O)c3ccc(C#N)cc3)CC1)C2	ZINC001173432630	962152484	/nfs/dbraw/zinc/15/24/84/962152484.db2.gz	LBSPZXPINNEPOR-WIYYLYMNSA-N	1	0	369.465	1.758	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2C)cc1	ZINC000957499648	1013320216	/nfs/dbraw/zinc/32/02/16/1013320216.db2.gz	PXMDGACPGWWWSG-ATZDWAIDSA-N	1	0	355.482	1.831	20	30		FDEDRO
C=C(C)C(=O)OCC[NH2+][C@@H]1CCN(C(=O)c2ccccc2)[C@@H](C(=O)OC)C1	ZINC001173504772	962219639	/nfs/dbraw/zinc/21/96/39/962219639.db2.gz	WKUQAZFTWMNTIM-IAGOWNOFSA-N	1	0	374.437	1.542	20	30		FDEDRO
COC(=O)[C@@H]1C[C@H](n2cc(CC[NH3+])c3cc(C#N)ccc32)C[C@@H]1C(=O)OC	ZINC001173581865	962451990	/nfs/dbraw/zinc/45/19/90/962451990.db2.gz	KSDHVVUFDDJNJE-ACHSLPGTSA-N	1	0	369.421	1.927	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1	ZINC001183043001	962754646	/nfs/dbraw/zinc/75/46/46/962754646.db2.gz	JGJBEODZAIVATC-UZLBHIALSA-N	1	0	374.460	1.727	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1Cc2cncn2C[C@H](COCC2CC2)C1	ZINC001183043734	962756201	/nfs/dbraw/zinc/75/62/01/962756201.db2.gz	XMMUXDBTGLMKCH-GOSISDBHSA-N	1	0	358.486	1.920	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CCc2c(ncn2C(C)C)[C@@H]1CNC(C)=O	ZINC001183043362	962756829	/nfs/dbraw/zinc/75/68/29/962756829.db2.gz	RBQOZCZJTDVYMU-SFHVURJKSA-N	1	0	373.501	1.678	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1	ZINC001183392542	963007246	/nfs/dbraw/zinc/00/72/46/963007246.db2.gz	XYNPUDAOOOBHIF-GUDVDZBRSA-N	1	0	360.454	1.536	20	30		FDEDRO
N#C[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2	ZINC001183612514	963146372	/nfs/dbraw/zinc/14/63/72/963146372.db2.gz	NSKNKNXTEOHXHP-QRQLOZEOSA-N	1	0	355.438	1.396	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCNC(=O)NC(C)C	ZINC001175365910	963169906	/nfs/dbraw/zinc/16/99/06/963169906.db2.gz	OKCDPKMWPXSMJK-BBWFWOEESA-N	1	0	368.522	1.550	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=O)N(C)C	ZINC001175629947	963242271	/nfs/dbraw/zinc/24/22/71/963242271.db2.gz	NNDWLNOUVLGCPO-RYRKJORJSA-N	1	0	353.507	1.711	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCO[C@H]1C(=C)C	ZINC001175663283	963259437	/nfs/dbraw/zinc/25/94/37/963259437.db2.gz	CJALGQXZDBMCRX-RYRKJORJSA-N	1	0	351.491	1.534	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=O)NC(C)C	ZINC001175663173	963259570	/nfs/dbraw/zinc/25/95/70/963259570.db2.gz	BHBNQIBIYNAMDK-RYRKJORJSA-N	1	0	353.507	1.757	20	30		FDEDRO
CCOC(=O)CN(CC[NH3+])C(=O)[C@H]1CCCCN1Cc1ccccc1C#N	ZINC001183840936	963307221	/nfs/dbraw/zinc/30/72/21/963307221.db2.gz	KILVEJJNVZUNQG-GOSISDBHSA-N	1	0	372.469	1.263	20	30		FDEDRO
CC[C@H](C)[C@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C(N)=O	ZINC001176097932	963356918	/nfs/dbraw/zinc/35/69/18/963356918.db2.gz	NGYPWKAPWPXQEN-BNLOLNQZSA-N	1	0	351.410	1.713	20	30		FDEDRO
COC(=O)C1CC2(C1)C[C@H]([NH2+]C1CCC(C#N)CC1)CCS2(=O)=O	ZINC001184219678	963489171	/nfs/dbraw/zinc/48/91/71/963489171.db2.gz	XPWGYSZLAHLXCR-UZZMVUAXSA-N	1	0	354.472	1.557	20	30		FDEDRO
N#Cc1cccc(N2C[C@@H](C(=O)N(CC[NH3+])c3cccnc3)OC2=O)c1	ZINC001184376873	963563259	/nfs/dbraw/zinc/56/32/59/963563259.db2.gz	XCJFGBUDGWEAEX-INIZCTEOSA-N	1	0	351.366	1.270	20	30		FDEDRO
CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CN(c4cccc(C#N)c4)C(=O)O3)C[C@H]2C1	ZINC001184382571	963569577	/nfs/dbraw/zinc/56/95/77/963569577.db2.gz	XCTLVTANIQJLRH-NUJGCVRESA-N	1	0	368.437	1.684	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1	ZINC001185136524	963836615	/nfs/dbraw/zinc/83/66/15/963836615.db2.gz	GNARXLUNGLGJPH-JHJVBQTASA-N	1	0	365.886	1.445	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2CC)C1	ZINC001185198862	963856828	/nfs/dbraw/zinc/85/68/28/963856828.db2.gz	DOXVDTDWGDAKAW-NZSAHSFTSA-N	1	0	353.466	1.292	20	30		FDEDRO
CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1	ZINC001185200162	963858003	/nfs/dbraw/zinc/85/80/03/963858003.db2.gz	RUGXZPSNHHXTRZ-BPQIPLTHSA-N	1	0	354.454	1.183	20	30		FDEDRO
O=C(C#Cc1cccnc1)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001177777530	963950021	/nfs/dbraw/zinc/95/00/21/963950021.db2.gz	PQLKOICCEOLCKA-AZUAARDMSA-N	1	0	365.408	1.936	20	30		FDEDRO
C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2C(=O)CCC2=O)CCCC1	ZINC001110214855	964035810	/nfs/dbraw/zinc/03/58/10/964035810.db2.gz	SRZCJETYIGLBJB-IKGGRYGDSA-N	1	0	373.497	1.993	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CCCO[C@H]1C=C	ZINC001178505758	964259232	/nfs/dbraw/zinc/25/92/32/964259232.db2.gz	DQVHKKYVHOFOJW-KSZLIROESA-N	1	0	363.502	1.372	20	30		FDEDRO
C=CCOCC(=O)NC[C@@H]1C[N@H+](C[C@H](C)O)CC[C@@H]1c1ccc(F)cc1	ZINC001186180820	964333118	/nfs/dbraw/zinc/33/31/18/964333118.db2.gz	RHLOJMOKPOCGQH-KVSKMBFKSA-N	1	0	364.461	1.931	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)C(=O)NCC2CC2)C1	ZINC001186203689	964351646	/nfs/dbraw/zinc/35/16/46/964351646.db2.gz	RASYWFSCKNYHFB-IEBWSBKVSA-N	1	0	371.456	1.507	20	30		FDEDRO
N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1	ZINC001186234067	964365942	/nfs/dbraw/zinc/36/59/42/964365942.db2.gz	GKQUZBMSDYILEB-OWCLPIDISA-N	1	0	360.845	1.274	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2OC)C1	ZINC001186206821	964373417	/nfs/dbraw/zinc/37/34/17/964373417.db2.gz	VJFQMBPTYGFMSW-HYVNUMGLSA-N	1	0	357.454	1.291	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1	ZINC001178711517	964393295	/nfs/dbraw/zinc/39/32/95/964393295.db2.gz	GUJSOYQWWBCPGB-HOTGVXAUSA-N	1	0	367.490	1.779	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@H]1OCC[C@H]1CC	ZINC001178744092	964417580	/nfs/dbraw/zinc/41/75/80/964417580.db2.gz	QAXZXYADLQHBLV-BBWFWOEESA-N	1	0	351.491	1.206	20	30		FDEDRO
C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCO[C@H]2C(C)C)CC12CCOCC2	ZINC001186373111	964480709	/nfs/dbraw/zinc/48/07/09/964480709.db2.gz	GVONVDMIGPHULV-FHWLQOOXSA-N	1	0	362.514	1.916	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)CC12CCOCC2	ZINC001186382076	964488094	/nfs/dbraw/zinc/48/80/94/964488094.db2.gz	OFQXBHAQIJZLIB-QKLQHJQFSA-N	1	0	364.486	1.070	20	30		FDEDRO
CCC[C@@H]1C[C@H]1C(=O)N1C[C@H](C[NH2+]CC#CCOC)C2(C1)CCOCC2	ZINC001186495210	964524149	/nfs/dbraw/zinc/52/41/49/964524149.db2.gz	ZKRGPWKAUWWGLX-CEXWTWQISA-N	1	0	362.514	1.917	20	30		FDEDRO
C#CCCC1(CCNC(=O)C2CC[NH+](C3CCN(C(C)=O)CC3)CC2)N=N1	ZINC001179017296	964588090	/nfs/dbraw/zinc/58/80/90/964588090.db2.gz	GYJLCEWGNPDHNA-UHFFFAOYSA-N	1	0	373.501	1.791	20	30		FDEDRO
CC(=O)N1CCC([NH+]2CCC(C(=O)N[C@H]3CC[C@H](C#N)CC3)CC2)CC1	ZINC001179014396	964629889	/nfs/dbraw/zinc/62/98/89/964629889.db2.gz	GIEUGNWIJPNFDZ-SAABIXHNSA-N	1	0	360.502	1.908	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	ZINC001179059667	964658810	/nfs/dbraw/zinc/65/88/10/964658810.db2.gz	MWJBBCRFCBFHJA-XLAORIBOSA-N	1	0	363.502	1.206	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCSC)[C@@H]2C1	ZINC001186794471	964755000	/nfs/dbraw/zinc/75/50/00/964755000.db2.gz	CTBDYFOVEUXMDA-JKSUJKDBSA-N	1	0	351.516	1.473	20	30		FDEDRO
C#CCC[C@H](O)C[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1	ZINC001179489821	964887013	/nfs/dbraw/zinc/88/70/13/964887013.db2.gz	WMAZHORVZQBKGH-KRWDZBQOSA-N	1	0	366.889	1.915	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2csc(COC)n2)C1	ZINC000962320678	1013529713	/nfs/dbraw/zinc/52/97/13/1013529713.db2.gz	BPXFGOFJRAEFKY-GMEATFMZSA-N	1	0	365.499	1.865	20	30		FDEDRO
C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)[C@H]1C	ZINC001179529986	964891158	/nfs/dbraw/zinc/89/11/58/964891158.db2.gz	KRSUHGVVOHYSAN-XLAORIBOSA-N	1	0	365.518	1.948	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+]CC(=O)NCC1CCC1	ZINC001179633323	964940626	/nfs/dbraw/zinc/94/06/26/964940626.db2.gz	BUAXFPRUXFHALI-MSOLQXFVSA-N	1	0	365.518	1.760	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1nnnn1CCC	ZINC001179638474	964942131	/nfs/dbraw/zinc/94/21/31/964942131.db2.gz	QTPSZMDBBKFCAW-CVEARBPZSA-N	1	0	364.494	1.440	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCCCCC[NH2+][C@H]1CCN(C)C1=O	ZINC001179781137	964975414	/nfs/dbraw/zinc/97/54/14/964975414.db2.gz	LIBKLKADAMMNEA-BZSNNMDCSA-N	1	0	365.518	1.855	20	30		FDEDRO
C[C@H](C#N)C(=O)N([C@@H]1CCC12CC[NH2+]CC2)S(=O)(=O)c1ccccc1	ZINC001179888689	965015907	/nfs/dbraw/zinc/01/59/07/965015907.db2.gz	AKNTVWDCMSITOP-GDBMZVCRSA-N	1	0	361.467	1.896	20	30		FDEDRO
C[C@H](C#N)C(=O)N(CC[NH+](C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC001179896033	965020115	/nfs/dbraw/zinc/02/01/15/965020115.db2.gz	NELJJXMNZKUPMJ-CABCVRRESA-N	1	0	352.479	1.936	20	30		FDEDRO
N#Cc1ccnc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)c1[N+](=O)[O-]	ZINC001187437731	965344658	/nfs/dbraw/zinc/34/46/58/965344658.db2.gz	LMLNHNXODHOFBU-OAHLLOKOSA-N	1	0	360.418	1.070	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](CCCC)C(N)=O)C[C@H]21	ZINC001187472138	965384318	/nfs/dbraw/zinc/38/43/18/965384318.db2.gz	ALNFXMPYSCBCSD-YESZJQIVSA-N	1	0	351.491	1.546	20	30		FDEDRO
C#CCCCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(CC=C)CC=C)C[C@H]21	ZINC001187591083	965510426	/nfs/dbraw/zinc/51/04/26/965510426.db2.gz	AAAFRMUSSDUNJT-RBUKOAKNSA-N	1	0	357.498	1.913	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc4c(c3)CCC4)C[C@H]21	ZINC001187591777	965511720	/nfs/dbraw/zinc/51/17/20/965511720.db2.gz	SYABHBZVEGMWKN-VQTJNVASSA-N	1	0	365.477	1.348	20	30		FDEDRO
CC(C)CNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1	ZINC001187597754	965516888	/nfs/dbraw/zinc/51/68/88/965516888.db2.gz	CFRHAKJTDKMSTA-JKIFEVAISA-N	1	0	357.458	1.193	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCc4ccc(F)cc43)C[C@H]21	ZINC001187597825	965517208	/nfs/dbraw/zinc/51/72/08/965517208.db2.gz	FBLHEJXLHRUVEB-KFKAGJAMSA-N	1	0	369.440	1.485	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)c3ccccc3F)C[C@H]21	ZINC001187597823	965517820	/nfs/dbraw/zinc/51/78/20/965517820.db2.gz	DXAFXKIWHZNKHE-RVKKMQEKSA-N	1	0	357.429	1.559	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@H+](CCCc3ccccc3)C[C@H]21	ZINC001187598543	965521794	/nfs/dbraw/zinc/52/17/94/965521794.db2.gz	RYSMRJXLFTZCRW-RBUKOAKNSA-N	1	0	353.466	1.291	20	30		FDEDRO
COCCC1([NH3+])CCN(C(=O)[C@H](CC#N)NC(=O)OC(C)(C)C)CC1	ZINC001180784783	965552699	/nfs/dbraw/zinc/55/26/99/965552699.db2.gz	MDYGYPCUGXIKBT-ZDUSSCGKSA-N	1	0	354.451	1.150	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccc2c(c1)OCCO2	ZINC001110396679	965726672	/nfs/dbraw/zinc/72/66/72/965726672.db2.gz	VUBLZRZHECGHMA-DZUCGIPZSA-N	1	0	355.438	1.881	20	30		FDEDRO
C[C@H](NC(=O)CN1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1)c1ccco1	ZINC001187819701	965760405	/nfs/dbraw/zinc/76/04/05/965760405.db2.gz	IKMYJQMXBPKSOE-BHYGNILZSA-N	1	0	355.438	1.403	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@H+](CCOC[C@@H]3CCCCO3)C[C@H]21	ZINC001187874176	965868829	/nfs/dbraw/zinc/86/88/29/965868829.db2.gz	OCIKCJSZXGXRGR-GBESFXJTSA-N	1	0	364.486	1.145	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)Cc3ccccc3)C[C@H]21	ZINC001187874467	965870324	/nfs/dbraw/zinc/87/03/24/965870324.db2.gz	USDAATDLSNBMID-XUVXKRRUSA-N	1	0	356.466	1.163	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3nn(C)c4ccccc34)[C@@H]2C1	ZINC001187930491	965912019	/nfs/dbraw/zinc/91/20/19/965912019.db2.gz	UMAGBJJKFUDKDK-OXJNMPFZSA-N	1	0	368.481	1.851	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccncc3C)[C@@H]2C1	ZINC001187930584	965912246	/nfs/dbraw/zinc/91/22/46/965912246.db2.gz	VTJZFGGJJQTZKU-RYQLBKOJSA-N	1	0	356.470	1.156	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Oc3cccc(F)c3)[C@@H]2C1	ZINC001187985016	965943008	/nfs/dbraw/zinc/94/30/08/965943008.db2.gz	YPMXPSWGLJEMKS-TXPKVOOTSA-N	1	0	360.429	1.776	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(c3)NC(=O)C4)[C@@H]2C1	ZINC001187991092	965946563	/nfs/dbraw/zinc/94/65/63/965946563.db2.gz	LUBGWAPKICPLIJ-FUHWJXTLSA-N	1	0	355.438	1.530	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CNC(=O)c4ccccc43)[C@@H]2C1	ZINC001188226583	966137519	/nfs/dbraw/zinc/13/75/19/966137519.db2.gz	RIRBJQLDTRUJSB-ZYSHUDEJSA-N	1	0	369.465	1.249	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3nccc4cccnc43)[C@@H]2C1	ZINC001188231694	966143017	/nfs/dbraw/zinc/14/30/17/966143017.db2.gz	XZQZLSGPXXVCII-DLBZAZTESA-N	1	0	352.438	1.979	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3csc(NC(C)=O)n3)[C@@H]2C1	ZINC001188427845	966282750	/nfs/dbraw/zinc/28/27/50/966282750.db2.gz	CZEBPUUSWWMMRU-DZGCQCFKSA-N	1	0	364.471	1.450	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCCNC3=O)[C@@H]2C1	ZINC001188441758	966291703	/nfs/dbraw/zinc/29/17/03/966291703.db2.gz	OFRKWWUTTYZFFS-DLBZAZTESA-N	1	0	350.507	1.905	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3nc(C)n(-c4nc[nH]n4)n3)[C@@H]2C1	ZINC001188724224	966538475	/nfs/dbraw/zinc/53/84/75/966538475.db2.gz	OZAKXOWASGZMRF-AEGPPILISA-N	1	0	370.461	1.195	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4ccnc4)nc3)[C@@H]2C1	ZINC001188731343	966541880	/nfs/dbraw/zinc/54/18/80/966541880.db2.gz	LIRVEJPNIDYIPO-ZWKOTPCHSA-N	1	0	367.453	1.616	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCCc2ccccc21	ZINC001110401674	966552377	/nfs/dbraw/zinc/55/23/77/966552377.db2.gz	LOCZNNNVXZMNGF-MYZZLAAOSA-N	1	0	366.465	1.847	20	30		FDEDRO
C[C@H](CC(N)=O)C(=O)N1CC[C@H]2CN(Cc3ccc(F)c(C#N)c3)C[C@H]21	ZINC001188793852	966556602	/nfs/dbraw/zinc/55/66/02/966556602.db2.gz	LZIRADCQIQUSRO-HACGYAERSA-N	1	0	358.417	1.242	20	30		FDEDRO
CC#CCCCC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21	ZINC001188903202	966645445	/nfs/dbraw/zinc/64/54/45/966645445.db2.gz	MJDXNFPWYGHFNY-FGTMMUONSA-N	1	0	366.527	1.538	20	30		FDEDRO
CC#CCCCC(=O)N1CC[C@H]2C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]21	ZINC001188903072	966645699	/nfs/dbraw/zinc/64/56/99/966645699.db2.gz	GBISWFJIRXALSY-DLBZAZTESA-N	1	0	362.518	1.810	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4nn(C)cc43)[C@@H]2C1	ZINC001188950204	966668705	/nfs/dbraw/zinc/66/87/05/966668705.db2.gz	YWYDFWGXOLKQIJ-FRQCXROJSA-N	1	0	358.486	1.575	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)COC[C@@H]4CCOC4)[C@@H]3C2)cc1	ZINC001189291575	966874668	/nfs/dbraw/zinc/87/46/68/966874668.db2.gz	BIQMLTZWEHIZPN-HSALFYBXSA-N	1	0	369.465	1.644	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CNC(=O)CC3CCCC3)[C@@H]2C1	ZINC001189433623	966978379	/nfs/dbraw/zinc/97/83/79/966978379.db2.gz	SUVQMTYHVAMMNZ-ZWKOTPCHSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3[nH]c(C)nc3c1)C2	ZINC001110644307	967096816	/nfs/dbraw/zinc/09/68/16/967096816.db2.gz	GWVDRACVZDOAST-INMHGKMJSA-N	1	0	355.442	1.804	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3nc4cc[nH]cc-4n3)[C@@H]2C1	ZINC001189675036	967141053	/nfs/dbraw/zinc/14/10/53/967141053.db2.gz	BSQCJEGHBVTTOQ-MAUKXSAKSA-N	1	0	369.469	1.626	20	30		FDEDRO
N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CC[C@@H](Cn2ccnn2)C1	ZINC000852314623	967212519	/nfs/dbraw/zinc/21/25/19/967212519.db2.gz	IXZUESBTBROUPO-ZBFHGGJFSA-N	1	0	373.420	1.837	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1	ZINC000852360076	967250751	/nfs/dbraw/zinc/25/07/51/967250751.db2.gz	TYMAXJQTINLBSY-HUUCEWRRSA-N	1	0	370.469	1.588	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1CC[C@H]2CN(Cc3cc(C#N)ccc3OC)C[C@H]21	ZINC001189898811	967416260	/nfs/dbraw/zinc/41/62/60/967416260.db2.gz	PHAOMYKLCFHPJE-PKOBYXMFSA-N	1	0	370.497	1.941	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(NC(N)=O)cc3)[C@@H]2C1	ZINC001190050924	967516665	/nfs/dbraw/zinc/51/66/65/967516665.db2.gz	PIWZFNAFHHMGEO-DOTOQJQBSA-N	1	0	358.442	1.526	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)CC1	ZINC000852700049	967544077	/nfs/dbraw/zinc/54/40/77/967544077.db2.gz	BFZKKVAKXSDNRT-LJQANCHMSA-N	1	0	368.481	1.432	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3cccs3)[C@@H]2C1	ZINC001190108366	967544305	/nfs/dbraw/zinc/54/43/05/967544305.db2.gz	QBVCIMQUWMGMJM-YQQAZPJKSA-N	1	0	361.511	1.904	20	30		FDEDRO
Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)C#CC2CC[NH2+]CC2)c1C	ZINC000852805071	967620286	/nfs/dbraw/zinc/62/02/86/967620286.db2.gz	NVWYOXQCIUZJPU-UHFFFAOYSA-N	1	0	363.483	1.495	20	30		FDEDRO
N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cc(Br)cc(N2CCCC2)c1	ZINC000852828147	967638604	/nfs/dbraw/zinc/63/86/04/967638604.db2.gz	UEFJETFMECVYQJ-SWLSCSKDSA-N	1	0	363.259	1.891	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ccc4ccccc43)[C@@H]2C1	ZINC001190227800	967642686	/nfs/dbraw/zinc/64/26/86/967642686.db2.gz	QZJFHYKMCCQXPF-AZUAARDMSA-N	1	0	351.450	1.824	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1	ZINC000852860158	967666564	/nfs/dbraw/zinc/66/65/64/967666564.db2.gz	LPPOWKKARILSMQ-HNNXBMFYSA-N	1	0	374.872	1.915	20	30		FDEDRO
CN1CCN(C(=O)c2ccc(NC(=O)C#CC3CC[NH2+]CC3)cc2)CC1	ZINC000852861958	967667101	/nfs/dbraw/zinc/66/71/01/967667101.db2.gz	ODTBKNAFBGSLOO-UHFFFAOYSA-N	1	0	354.454	1.016	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCN(Cc2nc3ccccc3[nH]2)CC1	ZINC000852884042	967688033	/nfs/dbraw/zinc/68/80/33/967688033.db2.gz	SGCQJMNDHSFBOZ-UHFFFAOYSA-N	1	0	351.454	1.210	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)CCC[NH2+]1	ZINC000852890082	967692411	/nfs/dbraw/zinc/69/24/11/967692411.db2.gz	MDXFOEFKLRBEBW-NRFANRHFSA-N	1	0	370.497	1.670	20	30		FDEDRO
C[C@@H]1C[C@@H]1c1noc(CC2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)n1	ZINC000852895955	967694231	/nfs/dbraw/zinc/69/42/31/967694231.db2.gz	NYTNFXJXWUKGBK-PBHICJAKSA-N	1	0	356.470	1.977	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CNC(=O)CC(C)(C)C)[C@@H]2C1	ZINC001190254614	967697466	/nfs/dbraw/zinc/69/74/66/967697466.db2.gz	DZGFBVAKFALYOD-JKSUJKDBSA-N	1	0	351.491	1.274	20	30		FDEDRO
N#Cc1ncc(C(F)(F)F)cc1N1CCC[C@@H](n2cc(C[NH3+])nn2)C1	ZINC000853015674	967775390	/nfs/dbraw/zinc/77/53/90/967775390.db2.gz	BUDKVSIKMTTXKJ-GFCCVEGCSA-N	1	0	351.336	1.864	20	30		FDEDRO
N#Cc1cccc(N2CCOC[C@]3(CCC[N@H+](C[C@@H]4CCOC4)C3)C2)n1	ZINC001202487594	967809971	/nfs/dbraw/zinc/80/99/71/967809971.db2.gz	LYNUXPADZSIYIN-PXNSSMCTSA-N	1	0	356.470	1.909	20	30		FDEDRO
CNC(=O)Nc1ccc(C(=O)N2CC[C@H]3C[N@H+](CC#CCOC)C[C@H]32)cc1	ZINC001190409378	967821967	/nfs/dbraw/zinc/82/19/67/967821967.db2.gz	IIWKTYXXDCHOJI-FUHWJXTLSA-N	1	0	370.453	1.234	20	30		FDEDRO
C#C[C@H]([NH2+]C[C@@H](O)COc1cccc(C(=O)OCC)c1)C1CCOCC1	ZINC000853115194	967841644	/nfs/dbraw/zinc/84/16/44/967841644.db2.gz	GCQYSHSYERPDQI-MJGOQNOKSA-N	1	0	361.438	1.621	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3cscn3)[C@@H]2C1	ZINC001190440585	967851428	/nfs/dbraw/zinc/85/14/28/967851428.db2.gz	JOWIGSCKGHVKOQ-OFQRWUPVSA-N	1	0	362.499	1.299	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@H](N2CCOC2=O)C1)C(C)C	ZINC000853383618	967995601	/nfs/dbraw/zinc/99/56/01/967995601.db2.gz	IJZCRBBEJHQPLA-IRXDYDNUSA-N	1	0	364.490	1.921	20	30		FDEDRO
C=CCC1(S(=O)(=O)N2CCC[C@]3(C2)COCC[N@@H+](CCOC)C3)CC1	ZINC001190784291	968089298	/nfs/dbraw/zinc/08/92/98/968089298.db2.gz	RECWUUSHRVCAQI-KRWDZBQOSA-N	1	0	372.531	1.486	20	30		FDEDRO
C=CC[C@@H]1CCC[N@@H+](CN2C(=O)N[C@](C)(CCC(=O)OCC)C2=O)C1	ZINC000853537117	968092016	/nfs/dbraw/zinc/09/20/16/968092016.db2.gz	PGJANRQTSGJWND-RDTXWAMCSA-N	1	0	351.447	1.886	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1c(C)csc1=O)C2	ZINC001110671145	968102298	/nfs/dbraw/zinc/10/22/98/968102298.db2.gz	VHICWWFDFKTFLP-OAGGEKHMSA-N	1	0	365.499	1.532	20	30		FDEDRO
C[C@@]12COC[C@@H]1C[N@H+](CN1CC(=O)N(Cc3ccccc3C#N)C1=O)C2	ZINC000853567669	968130566	/nfs/dbraw/zinc/13/05/66/968130566.db2.gz	WHQYAOJRZBZQLP-QFBILLFUSA-N	1	0	354.410	1.248	20	30		FDEDRO
C#CCCN(CCOC)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000853619604	968198413	/nfs/dbraw/zinc/19/84/13/968198413.db2.gz	FZANAPPAXBDJNT-GOSISDBHSA-N	1	0	374.397	1.291	20	30		FDEDRO
CC(C)(C)n1nnc(CCO[NH+]=Cc2ccc(N3CCOCC3)cc2)n1	ZINC000853643597	968219899	/nfs/dbraw/zinc/21/98/99/968219899.db2.gz	YQWWWCCYMSPXKU-UHFFFAOYSA-N	1	0	358.446	1.858	20	30		FDEDRO
CCCn1ncnc1CO[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1	ZINC000853672295	968239683	/nfs/dbraw/zinc/23/96/83/968239683.db2.gz	ABYOANYXFNYYID-UHFFFAOYSA-N	1	0	358.446	1.486	20	30		FDEDRO
N#Cc1ncc(Br)cc1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC000853966996	968479341	/nfs/dbraw/zinc/47/93/41/968479341.db2.gz	ZRDIQFJUFDFDJQ-CYBMUJFWSA-N	1	0	351.248	1.751	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)ccn1	ZINC001191547881	968605494	/nfs/dbraw/zinc/60/54/94/968605494.db2.gz	DPJQQPIOEANWDW-RTBURBONSA-N	1	0	363.421	1.464	20	30		FDEDRO
COC(=O)[C@@]1(NC(=O)c2ccnc(C#N)c2)CC[N@H+](Cc2ccccc2)C1	ZINC001191557633	968613130	/nfs/dbraw/zinc/61/31/30/968613130.db2.gz	FQWFZIMKYPQFOW-HXUWFJFHSA-N	1	0	364.405	1.501	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCC(C)C	ZINC001110678944	968665867	/nfs/dbraw/zinc/66/58/67/968665867.db2.gz	JYRXKZGRMAWFKW-ZRNYENFQSA-N	1	0	361.530	1.868	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H](CNc2ccncc2C#N)C2CCCC2)CC[N@@H+]1C	ZINC001110683533	968831882	/nfs/dbraw/zinc/83/18/82/968831882.db2.gz	FSEYXSYLTGEAJA-LSBZLQRGSA-N	1	0	355.486	1.802	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](CCCOc2ccc(Cl)cc2)C[C@H]1O	ZINC001191882049	968833471	/nfs/dbraw/zinc/83/34/71/968833471.db2.gz	PQWAOOVQJVDGJT-DAXOMENPSA-N	1	0	351.834	1.430	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@H+](Cc2cccc(N(C)C)c2)C[C@H]1O	ZINC001192053578	968930573	/nfs/dbraw/zinc/93/05/73/968930573.db2.gz	AELQBKIFMSUKCY-RTBURBONSA-N	1	0	361.486	1.397	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](OC)c2ccccc2)C[C@H]1O	ZINC001192054637	968933093	/nfs/dbraw/zinc/93/30/93/968933093.db2.gz	WOTNNOMWVNYRHW-GUDVDZBRSA-N	1	0	362.470	1.518	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@H+](CCc2ccc(CC)cc2)C[C@H]1O	ZINC001192062920	968936597	/nfs/dbraw/zinc/93/65/97/968936597.db2.gz	QKXBENHBEFJIPQ-WOJBJXKFSA-N	1	0	360.498	1.936	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@@H]([NH+](C)C)C2)c1	ZINC000854632101	969036197	/nfs/dbraw/zinc/03/61/97/969036197.db2.gz	CZJDXFWWUQIZIW-MSOLQXFVSA-N	1	0	356.470	1.370	20	30		FDEDRO
COCC[C@H](c1ccccc1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1	ZINC001192298303	969050032	/nfs/dbraw/zinc/05/00/32/969050032.db2.gz	KWLRVUBXXDMBEF-GUDVDZBRSA-N	1	0	368.437	1.439	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CC#Cc2ccccc2)C1	ZINC001192378812	969088662	/nfs/dbraw/zinc/08/86/62/969088662.db2.gz	YRHQNSFNJMJQQR-OTWHNJEPSA-N	1	0	353.466	1.295	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCOc2cc(C)cc(C)c2)C[C@H]1O	ZINC001192546465	969157159	/nfs/dbraw/zinc/15/71/59/969157159.db2.gz	GXDAENUZOQYKKB-QWFCFKBJSA-N	1	0	362.470	1.171	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCc3ccc(F)cc32)C[C@H]1O	ZINC001192886795	969348972	/nfs/dbraw/zinc/34/89/72/969348972.db2.gz	ZOIPPRZAFZOHDM-CEXWTWQISA-N	1	0	360.429	1.404	20	30		FDEDRO
N#CCS(=O)(=O)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1	ZINC001192952187	969372104	/nfs/dbraw/zinc/37/21/04/969372104.db2.gz	SGGULJNGDSQXDY-QZTJIDSGSA-N	1	0	367.515	1.300	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nn(C)c3ccccc23)C1	ZINC001193005797	969405383	/nfs/dbraw/zinc/40/53/83/969405383.db2.gz	YZPPMKRPDJTMQQ-LSBZLQRGSA-N	1	0	356.470	1.632	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn([C@H](C)COC)nc2C)C1	ZINC001192969425	969409715	/nfs/dbraw/zinc/40/97/15/969409715.db2.gz	PBFVVMASJZSAGX-KBRIMQKVSA-N	1	0	350.463	1.140	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COc2c(C)nn(C)c2C)C1	ZINC001193031625	969441034	/nfs/dbraw/zinc/44/10/34/969441034.db2.gz	IDBRTRFIJBJMHC-IAGOWNOFSA-N	1	0	364.490	1.323	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(CC)c(CC)n[nH]c2=O)C1	ZINC001193407136	969659182	/nfs/dbraw/zinc/65/91/82/969659182.db2.gz	COAOCVCHLNKYQF-DAXOMENPSA-N	1	0	362.474	1.437	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C(C)C)C2)C1	ZINC001193437157	969683893	/nfs/dbraw/zinc/68/38/93/969683893.db2.gz	IEPSEIUSVCSPMJ-GVDBMIGSSA-N	1	0	353.507	1.375	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2)C[C@H]1O)OCC	ZINC001193422144	969696845	/nfs/dbraw/zinc/69/68/45/969696845.db2.gz	NPKSUODTYATILI-GUDVDZBRSA-N	1	0	362.470	1.598	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C(CC)CC)C2)C1	ZINC001193455473	969718152	/nfs/dbraw/zinc/71/81/52/969718152.db2.gz	CTCRZWPIHLQLCU-USXIJHARSA-N	1	0	351.491	1.151	20	30		FDEDRO
C[C@@H](C[NH+](C)C)NC(=O)c1cc(I)ccc1C#N	ZINC001193593047	969753960	/nfs/dbraw/zinc/75/39/60/969753960.db2.gz	ROSSSTKFUYURNR-VIFPVBQESA-N	1	0	357.195	1.843	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]c(C)c(C(N)=O)c2CC)C1	ZINC001193738325	969823472	/nfs/dbraw/zinc/82/34/72/969823472.db2.gz	QRBUNBURRJLMNJ-KCPJHIHWSA-N	1	0	362.474	1.114	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C)c(C)c3)C[C@H]2O)CCOCC1	ZINC001193718682	969840637	/nfs/dbraw/zinc/84/06/37/969840637.db2.gz	JWDGIFIBFWGGQA-WOJBJXKFSA-N	1	0	370.493	1.785	20	30		FDEDRO
CCCCCCCCOCC(=O)N[C@@H]1C[N@H+](CCCCOC)C[C@H]1O	ZINC001193828114	969886187	/nfs/dbraw/zinc/88/61/87/969886187.db2.gz	KYOJYVXAUGLHBQ-QZTJIDSGSA-N	1	0	358.523	1.951	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3nccnc3c2)C1	ZINC001193835234	969889505	/nfs/dbraw/zinc/88/95/05/969889505.db2.gz	QPCNSGXZLMDXGG-IAGOWNOFSA-N	1	0	357.458	1.770	20	30		FDEDRO
C[NH+]1CCN(c2cncc(C(=O)NC3(C#N)Cc4ccccc4C3)c2)CC1	ZINC001193956506	969934474	/nfs/dbraw/zinc/93/44/74/969934474.db2.gz	XALBLMLHFORBGX-UHFFFAOYSA-N	1	0	361.449	1.624	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(Cc2cc(C#N)ccc2F)C[C@H]1O	ZINC001194244167	970070589	/nfs/dbraw/zinc/07/05/89/970070589.db2.gz	JFCQNZLOZMNERQ-IAGOWNOFSA-N	1	0	362.449	1.089	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCCOc2ccccc2)C1	ZINC001194352386	970120736	/nfs/dbraw/zinc/12/07/36/970120736.db2.gz	LVHCIBKNJSKNTM-QXAKKESOSA-N	1	0	362.470	1.598	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](c2ccccc2)C2(CO)CCOCC2)CC1	ZINC000855122454	970163363	/nfs/dbraw/zinc/16/33/63/970163363.db2.gz	JWZULOCTQGWSKF-HXUWFJFHSA-N	1	0	370.493	1.978	20	30		FDEDRO
CN(CC#N)C(=O)c1ccc(Br)cc1N1CC[NH+](C)CC1	ZINC001194601352	970270160	/nfs/dbraw/zinc/27/01/60/970270160.db2.gz	BYQAMUCLRQUQLO-UHFFFAOYSA-N	1	0	351.248	1.796	20	30		FDEDRO
C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2ncsc2C(F)(F)F)C1	ZINC001194644025	970283583	/nfs/dbraw/zinc/28/35/83/970283583.db2.gz	GIGPJAYJAJOXRL-NXEZZACHSA-N	1	0	365.377	1.139	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncc3cc(C)cnc32)C1	ZINC001194737434	970344376	/nfs/dbraw/zinc/34/43/76/970344376.db2.gz	QGEAONCBRZVUPP-USXIJHARSA-N	1	0	357.458	1.256	20	30		FDEDRO
Cc1nn(-c2ccccc2)cc1C[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000113360869	970410677	/nfs/dbraw/zinc/41/06/77/970410677.db2.gz	DLEQFGOOQJSXOW-VHEBQXMUSA-N	1	0	351.410	1.797	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N(CC)[C@H]2CC[N@H+](CC)C2)cc1	ZINC000855490705	970413568	/nfs/dbraw/zinc/41/35/68/970413568.db2.gz	PBWSNKZMHJOLPW-INIZCTEOSA-N	1	0	363.483	1.154	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(C)cc(C)cc1C	ZINC001110462022	970429822	/nfs/dbraw/zinc/42/98/22/970429822.db2.gz	UGRBTRXXQNIVPB-RLLQIKCJSA-N	1	0	367.493	1.973	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nncn3CC2)C1	ZINC001194815680	970440252	/nfs/dbraw/zinc/44/02/52/970440252.db2.gz	KPZDJVZYSDNDKZ-GVDBMIGSSA-N	1	0	361.490	1.138	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3c(c2)c(C)nn3C)C1	ZINC001195128965	970709537	/nfs/dbraw/zinc/70/95/37/970709537.db2.gz	RRHWYPCKLWMFOI-CSMYWGQOSA-N	1	0	357.458	1.406	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1cccc(OC)c1	ZINC001110466299	970720723	/nfs/dbraw/zinc/72/07/23/970720723.db2.gz	KTDDMCROVLWRRB-OPNNQBFTSA-N	1	0	369.465	1.617	20	30		FDEDRO
C=CCc1cc(OC)cc(C[N@H+]2CCC[C@H](CS(=O)(=O)NC)C2)c1O	ZINC000863342002	972833855	/nfs/dbraw/zinc/83/38/55/972833855.db2.gz	WYKGSCXEEUQZLA-AWEZNQCLSA-N	1	0	368.499	1.891	20	30		FDEDRO
CC(C)(C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1O)C(C)(F)F	ZINC001198193348	972908894	/nfs/dbraw/zinc/90/88/94/972908894.db2.gz	IOCWCRCHVKKCLQ-CHWSQXEVSA-N	1	0	357.426	1.962	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)OCc2ccc(F)cc2)C1	ZINC001198261538	972913787	/nfs/dbraw/zinc/91/37/87/972913787.db2.gz	FIQCECQFXZWASM-BMGDILEWSA-N	1	0	350.434	1.858	20	30		FDEDRO
CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1	ZINC000863492492	972952845	/nfs/dbraw/zinc/95/28/45/972952845.db2.gz	ZJJPADOYVPLWEQ-SFHVURJKSA-N	1	0	357.454	1.695	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1	ZINC000645111665	1014072222	/nfs/dbraw/zinc/07/22/22/1014072222.db2.gz	DLZLHAILKGWUBP-MJGOQNOKSA-N	1	0	359.470	1.906	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]Cc2ccccc2N2CCOCC2)CCOCC1	ZINC000863551235	973007629	/nfs/dbraw/zinc/00/76/29/973007629.db2.gz	JSZXSNWEYZTTDX-SFHVURJKSA-N	1	0	359.470	1.684	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1	ZINC000863551959	973009485	/nfs/dbraw/zinc/00/94/85/973009485.db2.gz	UMKBVQFNABRKNR-AEFFLSMTSA-N	1	0	356.470	1.533	20	30		FDEDRO
CC1CCC2(CC1)OC[C@@H](C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)O2	ZINC000863553830	973011350	/nfs/dbraw/zinc/01/13/50/973011350.db2.gz	KVSINVOSEWZDDQ-DHADLLTHSA-N	1	0	352.475	1.969	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+]CC1(O)CCC(C(=O)OC(C)(C)C)CC1	ZINC000863554397	973012751	/nfs/dbraw/zinc/01/27/51/973012751.db2.gz	YLTSLPFBMOKEGD-UHFFFAOYSA-N	1	0	361.504	1.440	20	30		FDEDRO
COc1cc(OC)cc([C@H](O)C[NH2+]C[C@H](O)COc2ccccc2C#N)c1	ZINC000863559159	973015691	/nfs/dbraw/zinc/01/56/91/973015691.db2.gz	IBJRVNKRMWRMGC-QFBILLFUSA-N	1	0	372.421	1.638	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COc2ccc(OCC)cc2)C1	ZINC001198392023	973102901	/nfs/dbraw/zinc/10/29/01/973102901.db2.gz	BGVKYYOKSDKXER-KFKAGJAMSA-N	1	0	362.470	1.980	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)nnn3CC)C1	ZINC001198528048	973212662	/nfs/dbraw/zinc/21/26/62/973212662.db2.gz	FBCQEFMZJPXJAM-MZMPZRCHSA-N	1	0	357.458	1.581	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@H]2C)cc1	ZINC000958032090	1014093338	/nfs/dbraw/zinc/09/33/38/1014093338.db2.gz	AXDGYVWSQCJZPR-GIYDNNGJSA-N	1	0	367.493	1.975	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCc2nc(CCC)no2)C1	ZINC001198653669	973357711	/nfs/dbraw/zinc/35/77/11/973357711.db2.gz	LVAHHMRBQIGJES-HUUCEWRRSA-N	1	0	350.463	1.472	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C(=O)C(C)C)C1	ZINC001198786087	973473719	/nfs/dbraw/zinc/47/37/19/973473719.db2.gz	WCMGYMZWVANWQM-KZNAEPCWSA-N	1	0	365.518	1.541	20	30		FDEDRO
C[C@]1(O)CCC[N@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1	ZINC000794670726	973504751	/nfs/dbraw/zinc/50/47/51/973504751.db2.gz	CDPCHNYVLDXOSP-IBGZPJMESA-N	1	0	356.426	1.517	20	30		FDEDRO
CCN(CC)c1ccc(/C=[NH+]\C2CN(S(=O)(=O)N(C)C)C2)c(O)c1	ZINC000864346623	973505909	/nfs/dbraw/zinc/50/59/09/973505909.db2.gz	YAHONTGMWFBYFO-YVLHZVERSA-N	1	0	354.476	1.148	20	30		FDEDRO
C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)c1ccccc1OC	ZINC001198903338	973635776	/nfs/dbraw/zinc/63/57/76/973635776.db2.gz	ZXBIXGHJGZJFIF-VYDXJSESSA-N	1	0	357.454	1.367	20	30		FDEDRO
C=CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1O)c1ccccc1	ZINC001198881379	973653900	/nfs/dbraw/zinc/65/39/00/973653900.db2.gz	WDZZBNMQPWZKSV-VAMGGRTRSA-N	1	0	368.481	1.484	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nnc(C)n3C2)C1	ZINC001198975430	973768674	/nfs/dbraw/zinc/76/86/74/973768674.db2.gz	MWOAZCZQWSUIBW-GVDBMIGSSA-N	1	0	361.490	1.057	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN2C(=O)C(C)C)C1	ZINC001198998678	973825947	/nfs/dbraw/zinc/82/59/47/973825947.db2.gz	YLPOZMPZJNTPOH-BRWVUGGUSA-N	1	0	351.491	1.151	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2OCCOC)C1	ZINC001199071086	973890632	/nfs/dbraw/zinc/89/06/32/973890632.db2.gz	HWXGAJLEWCTWJV-USXIJHARSA-N	1	0	363.458	1.236	20	30		FDEDRO
COCCn1ncc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1C	ZINC000865040595	974033575	/nfs/dbraw/zinc/03/35/75/974033575.db2.gz	UKFAJQDMXXZXDL-UHFFFAOYSA-N	1	0	369.469	1.914	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cc(C)sc2C)C1	ZINC001199240059	974059517	/nfs/dbraw/zinc/05/95/17/974059517.db2.gz	RZSYNEVFYKPKBG-IAGOWNOFSA-N	1	0	352.500	1.661	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(NC(C)=O)ccc2F)C1	ZINC001199270022	974104095	/nfs/dbraw/zinc/10/40/95/974104095.db2.gz	BXCINSAKKMXQQY-JBBXEZCESA-N	1	0	363.433	1.914	20	30		FDEDRO
C=C(Cl)C[C@H]1NC(=O)N(Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1=O	ZINC000865304120	974221953	/nfs/dbraw/zinc/22/19/53/974221953.db2.gz	ATNRAEDRJRMPBQ-HZPDHXFCSA-N	1	0	363.845	1.816	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)CC2)CC[N@@H+]1C	ZINC000967568709	1014181081	/nfs/dbraw/zinc/18/10/81/1014181081.db2.gz	WLYHSOVDTUYWBL-HYVNUMGLSA-N	1	0	371.485	1.680	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2CN([C@@H](C)C(=O)N(C)C(C)C)C[C@H]2O)CCCC1	ZINC001199566443	974371453	/nfs/dbraw/zinc/37/14/53/974371453.db2.gz	ANPLYFVWFMSRKE-GVDBMIGSSA-N	1	0	365.518	1.540	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1	ZINC000865613699	974385722	/nfs/dbraw/zinc/38/57/22/974385722.db2.gz	UFKRZSPFJJCSJZ-MRXNPFEDSA-N	1	0	371.462	1.949	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)[nH]c3c2CCCC3)C1	ZINC001199551433	974391538	/nfs/dbraw/zinc/39/15/38/974391538.db2.gz	NAMVRIAXBQWKBD-FSPWUOQZSA-N	1	0	359.470	1.796	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@]2(C)CCC(=O)N2)C1	ZINC001199592608	974396318	/nfs/dbraw/zinc/39/63/18/974396318.db2.gz	ZKPQGAFTWXTDFH-MDZRGWNJSA-N	1	0	351.491	1.343	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCc1ccccc1	ZINC001110538109	974410878	/nfs/dbraw/zinc/41/08/78/974410878.db2.gz	ODDPMVPVTLEWLB-MHTWAQMVSA-N	1	0	370.493	1.945	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)[nH]1	ZINC001199677603	974456993	/nfs/dbraw/zinc/45/69/93/974456993.db2.gz	AOMUPXBRVQMMBV-IAGOWNOFSA-N	1	0	351.410	1.397	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COc1ccc(F)cc1	ZINC001110540607	974463315	/nfs/dbraw/zinc/46/33/15/974463315.db2.gz	ZQLXQUZKDIRZMK-BWPNAZKDSA-N	1	0	372.440	1.700	20	30		FDEDRO
C[NH+](C)CCNC(=O)C1CCN(C(=O)c2ccc3c(C#N)c[nH]c3c2)CC1	ZINC000865812473	974512897	/nfs/dbraw/zinc/51/28/97/974512897.db2.gz	RBRAHHJGMARUIF-UHFFFAOYSA-N	1	0	367.453	1.570	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2OCC[C@H]2C(C)C)CCCO1	ZINC001200528219	974807630	/nfs/dbraw/zinc/80/76/30/974807630.db2.gz	HFOKRFVNMFMSCL-SQNIBIBYSA-N	1	0	354.491	1.457	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2OCC[C@H]2C(C)C)CC1	ZINC001200628852	974849090	/nfs/dbraw/zinc/84/90/90/974849090.db2.gz	NIDQCMUDACDAJT-XIRDDKMYSA-N	1	0	351.491	1.319	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]C[C@H](O)COCC(C)C)CC1	ZINC001200636248	974852983	/nfs/dbraw/zinc/85/29/83/974852983.db2.gz	HZLSLPNUVMWEIG-OTWHNJEPSA-N	1	0	368.518	1.582	20	30		FDEDRO
C=CCOCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC2)CCCO1	ZINC001201023622	974946743	/nfs/dbraw/zinc/94/67/43/974946743.db2.gz	PUSIILBAJYKGOB-KSZLIROESA-N	1	0	352.475	1.211	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CCCO1	ZINC001201411405	975033933	/nfs/dbraw/zinc/03/39/33/975033933.db2.gz	PXJCYTCSENCZEH-SQNIBIBYSA-N	1	0	365.518	1.842	20	30		FDEDRO
COCC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2C)CCCO1	ZINC001201613214	975098295	/nfs/dbraw/zinc/09/82/95/975098295.db2.gz	YCYMKZSNAQNLGT-SESVDKBCSA-N	1	0	370.493	1.955	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccn(CC[NH+](C)C)n2)c1	ZINC000847360730	975528318	/nfs/dbraw/zinc/52/83/18/975528318.db2.gz	DOYFEVNVIZCCHP-UHFFFAOYSA-N	1	0	353.426	1.137	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000847606382	975902149	/nfs/dbraw/zinc/90/21/49/975902149.db2.gz	CIJVIGJXTYMZKA-GOEBONIOSA-N	1	0	374.416	1.800	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1	ZINC000866771691	976022953	/nfs/dbraw/zinc/02/29/53/976022953.db2.gz	IPKZGPRCEQLFKT-RDJZCZTQSA-N	1	0	367.446	1.604	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1	ZINC000866779925	976035695	/nfs/dbraw/zinc/03/56/95/976035695.db2.gz	WRQXRVHJBDUBLR-ZWNOBZJWSA-N	1	0	365.352	1.845	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1	ZINC000866781971	976038864	/nfs/dbraw/zinc/03/88/64/976038864.db2.gz	XSUYPOQUGWPDDN-INIZCTEOSA-N	1	0	367.446	1.477	20	30		FDEDRO
C[C@@H](CNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)C[NH+](C)C	ZINC000848119599	976342287	/nfs/dbraw/zinc/34/22/87/976342287.db2.gz	QFDHMPWSZGKACL-HNNXBMFYSA-N	1	0	351.491	1.951	20	30		FDEDRO
CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@]1(C#N)CCCOC1	ZINC000867559981	976370438	/nfs/dbraw/zinc/37/04/38/976370438.db2.gz	PZHDCPJJUXOUDP-UXHICEINSA-N	1	0	357.454	1.402	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)C1	ZINC000867629009	976537526	/nfs/dbraw/zinc/53/75/26/976537526.db2.gz	NQQFFGKUEATRLU-KRWDZBQOSA-N	1	0	362.518	1.040	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1	ZINC000848335502	976642041	/nfs/dbraw/zinc/64/20/41/976642041.db2.gz	NXLUMOSGYWNJSI-CYBMUJFWSA-N	1	0	359.392	1.249	20	30		FDEDRO
N#C[C@]1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCCOC1	ZINC000867798390	976886518	/nfs/dbraw/zinc/88/65/18/976886518.db2.gz	NUMIPOQKDALULV-AZUAARDMSA-N	1	0	357.454	1.714	20	30		FDEDRO
CCCCCCCNC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000867808965	976908478	/nfs/dbraw/zinc/90/84/78/976908478.db2.gz	NPSAOWNJZXXXGL-UHFFFAOYSA-N	1	0	352.523	1.311	20	30		FDEDRO
C[NH+]1CCN(C2CCN(S(=O)(=O)c3ccc(C#N)c(F)c3)CC2)CC1	ZINC000867817117	976931444	/nfs/dbraw/zinc/93/14/44/976931444.db2.gz	UROLFEYEXWHDFQ-UHFFFAOYSA-N	1	0	366.462	1.098	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N1CCC(N2CC[NH+](C)CC2)CC1	ZINC000867817880	976934006	/nfs/dbraw/zinc/93/40/06/976934006.db2.gz	VVOARXKCHYQUPL-UHFFFAOYSA-N	1	0	362.499	1.267	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N[C@H]1CCCN(c2ncccn2)C1	ZINC000867941092	977120055	/nfs/dbraw/zinc/12/00/55/977120055.db2.gz	BNFSPCPECAWZIO-FUHWJXTLSA-N	1	0	362.437	1.320	20	30		FDEDRO
Cc1cccc(C(=O)NCCNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)c1	ZINC000867945678	977125540	/nfs/dbraw/zinc/12/55/40/977125540.db2.gz	GPCGPXFGPDRIRZ-LJQANCHMSA-N	1	0	362.433	1.600	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C	ZINC000867997770	977178847	/nfs/dbraw/zinc/17/88/47/977178847.db2.gz	JIJSHPMEPVYWQT-KKUMJFAQSA-N	1	0	355.479	1.539	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)C2CC[NH2+]CC2)ccc1F	ZINC000868005521	977191336	/nfs/dbraw/zinc/19/13/36/977191336.db2.gz	SCGTVXRZQBHZOM-GFCCVEGCSA-N	1	0	369.462	1.408	20	30		FDEDRO
C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C[C@@H](C)O1	ZINC000868022173	977207703	/nfs/dbraw/zinc/20/77/03/977207703.db2.gz	AKJQHQXULVKKOF-SPYBWZPUSA-N	1	0	356.470	1.824	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCCNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C[C@H](C)O1	ZINC000868022172	977208421	/nfs/dbraw/zinc/20/84/21/977208421.db2.gz	AKJQHQXULVKKOF-KHYOSLBOSA-N	1	0	356.470	1.824	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2noc3ccccc32)CC1	ZINC000848933277	977250617	/nfs/dbraw/zinc/25/06/17/977250617.db2.gz	LGUYYKNZGFTHJM-UHFFFAOYSA-N	1	0	356.426	1.601	20	30		FDEDRO
C[C@H]1CN(C(=[NH2+])NCCCc2nn(-c3ccccc3)c(N)c2C#N)CCO1	ZINC000849095286	977312941	/nfs/dbraw/zinc/31/29/41/977312941.db2.gz	QNXAVCIQBMRSAK-AWEZNQCLSA-N	1	0	367.457	1.504	20	30		FDEDRO
CN(C)C(NCc1ccccc1)=[NH+]CCS(=O)(=O)C1CCOCC1	ZINC000849115123	977328036	/nfs/dbraw/zinc/32/80/36/977328036.db2.gz	GIRIHJPAALUWQK-UHFFFAOYSA-N	1	0	353.488	1.288	20	30		FDEDRO
COc1ccc(N2CC[C@@H]([NH2+][C@@H](C(N)=O)c3ccc(C#N)cc3)C2)cc1	ZINC000849322976	977425657	/nfs/dbraw/zinc/42/56/57/977425657.db2.gz	VSQRRXKXYOEBCB-VQIMIIECSA-N	1	0	350.422	1.962	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)C1	ZINC000868286724	977447410	/nfs/dbraw/zinc/44/74/10/977447410.db2.gz	RZHNWYKJTDLUKL-QGZVFWFLSA-N	1	0	357.458	1.111	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1C[NH+](C)C)C2	ZINC001110612919	977725429	/nfs/dbraw/zinc/72/54/29/977725429.db2.gz	YFANJTFUZMABPG-ZACQAIPSSA-N	1	0	361.511	1.795	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)OCCc2ccc(C#N)cc2)CC1=O	ZINC000849766954	977973064	/nfs/dbraw/zinc/97/30/64/977973064.db2.gz	VXAZMPNWSBAPRV-MOPGFXCFSA-N	1	0	369.465	1.977	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1	ZINC000850505718	978405440	/nfs/dbraw/zinc/40/54/40/978405440.db2.gz	WDJJWPDYWJNBKQ-HNNXBMFYSA-N	1	0	357.454	1.874	20	30		FDEDRO
C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC000850667937	978586849	/nfs/dbraw/zinc/58/68/49/978586849.db2.gz	YPABBZWHXAMLMN-HNNXBMFYSA-N	1	0	358.442	1.764	20	30		FDEDRO
N#CCOc1cccc(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)c1	ZINC000850829143	978687944	/nfs/dbraw/zinc/68/79/44/978687944.db2.gz	DRIWRYRZPYTFON-INIZCTEOSA-N	1	0	370.453	1.766	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1	ZINC000850899805	978714211	/nfs/dbraw/zinc/71/42/11/978714211.db2.gz	YBMIYOHVEUTLAZ-VLIAUNLRSA-N	1	0	371.437	1.632	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC[C@@H]2Sc3ccccc3NC2=O)CC1	ZINC000851740017	979023497	/nfs/dbraw/zinc/02/34/97/979023497.db2.gz	KHKBLZVVSBTKRT-KRWDZBQOSA-N	1	0	357.479	1.951	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1	ZINC000851740820	979024335	/nfs/dbraw/zinc/02/43/35/979024335.db2.gz	ZGEAVEBPCHXCOS-MRXNPFEDSA-N	1	0	365.474	1.084	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CC[C@@H](CF)C2)CC1	ZINC000880298783	979078234	/nfs/dbraw/zinc/07/82/34/979078234.db2.gz	JTQZNWPTJLCBIH-LSDHHAIUSA-N	1	0	350.463	1.748	20	30		FDEDRO
COc1cccc2c1CC[C@@]2(CO)[NH2+]CC(=O)Nc1ccc(C#N)cc1	ZINC000880381211	979146189	/nfs/dbraw/zinc/14/61/89/979146189.db2.gz	RTUBAFFHUROCME-FQEVSTJZSA-N	1	0	351.406	1.929	20	30		FDEDRO
C#CCC1(O)CC[NH+]([C@H](C)C(=O)N2CCN(c3ccccc3O)CC2)CC1	ZINC000880481387	979221490	/nfs/dbraw/zinc/22/14/90/979221490.db2.gz	JMPZJTUPVYGKRX-QGZVFWFLSA-N	1	0	371.481	1.280	20	30		FDEDRO
C#CCC1(O)CC[NH+]([C@@H](C)C(=O)NC[C@H]2COc3ccccc3O2)CC1	ZINC000880482029	979222929	/nfs/dbraw/zinc/22/29/29/979222929.db2.gz	VOCFFJRNICVRIH-HOTGVXAUSA-N	1	0	358.438	1.181	20	30		FDEDRO
C#C[C@@H](NC(=O)NC1CC[NH+](Cc2ccccn2)CC1)C1CCOCC1	ZINC000851960924	979225224	/nfs/dbraw/zinc/22/52/24/979225224.db2.gz	AWBIKJVLTRHQPM-LJQANCHMSA-N	1	0	356.470	1.774	20	30		FDEDRO
CCOP(=O)(OCC)[C@H](O)C[NH+]1CCN(c2ccc(C#N)nc2)CC1	ZINC000851998686	979258480	/nfs/dbraw/zinc/25/84/80/979258480.db2.gz	AVRLMPYZAOIPDV-INIZCTEOSA-N	1	0	368.374	1.660	20	30		FDEDRO
CN1c2ccccc2C(C)(C)/C1=C\C(=O)Cn1cc(COCC[NH3+])nn1	ZINC000880982592	979561413	/nfs/dbraw/zinc/56/14/13/979561413.db2.gz	DHXQYPPNSICOOP-VCHYOVAHSA-N	1	0	355.442	1.634	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000881130860	979704711	/nfs/dbraw/zinc/70/47/11/979704711.db2.gz	QFAQZJBJRVAQAV-HKUYNNGSSA-N	1	0	356.470	1.867	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1)OCC	ZINC000881623590	980020253	/nfs/dbraw/zinc/02/02/53/980020253.db2.gz	LJVVQCZVMGSKJP-MRXNPFEDSA-N	1	0	351.491	1.690	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)CCN1c1cc[nH+]cc1	ZINC000882621196	980761524	/nfs/dbraw/zinc/76/15/24/980761524.db2.gz	ONCNVORUOBHSJA-CYBMUJFWSA-N	1	0	360.414	1.992	20	30		FDEDRO
C[N@H+](CCNc1c(C#N)cnc2c(F)cc(F)cc21)CCOCCO	ZINC000882952462	981821585	/nfs/dbraw/zinc/82/15/85/981821585.db2.gz	VMXWEAKAXLXUNI-UHFFFAOYSA-N	1	0	350.369	1.737	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2	ZINC001110748812	982100754	/nfs/dbraw/zinc/10/07/54/982100754.db2.gz	UFNFZUKSNHESGW-OLMNPRSZSA-N	1	0	367.453	1.280	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3nnc(C)n3c1)C2	ZINC001110748967	982102116	/nfs/dbraw/zinc/10/21/16/982102116.db2.gz	ZSAPJHFABGIBQP-ZACQAIPSSA-N	1	0	355.442	1.575	20	30		FDEDRO
Cc1cc2c(c(C)c1)NC(=O)/C2=N\OCC(=O)NC1CC[NH+](C2CC2)CC1	ZINC000131969095	982210792	/nfs/dbraw/zinc/21/07/92/982210792.db2.gz	KSOVITSANUVNKK-UHFFFAOYSA-N	1	0	370.453	1.719	20	30		FDEDRO
COCC[NH2+]C1CCN(C(=O)C(=O)Nc2ccc(C3CC3)c(C#N)c2)CC1	ZINC000883610886	982307535	/nfs/dbraw/zinc/30/75/35/982307535.db2.gz	HZOVIDYQHQUCPH-UHFFFAOYSA-N	1	0	370.453	1.601	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccc(C(N)=O)nc1	ZINC000858860500	982337536	/nfs/dbraw/zinc/33/75/36/982337536.db2.gz	OBWLZYKBPHFUAJ-UHFFFAOYSA-N	1	0	365.437	1.185	20	30		FDEDRO
C#C[C@@H](NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)C(C)(C)C	ZINC000883648633	982344681	/nfs/dbraw/zinc/34/46/81/982344681.db2.gz	ALZZCMNEPAUUTD-DLBZAZTESA-N	1	0	350.507	1.130	20	30		FDEDRO
C=CCn1c([C@H]2CCOC2)nnc1N1CCC(C)([NH+]2CCOCC2)CC1	ZINC000858891007	982353911	/nfs/dbraw/zinc/35/39/11/982353911.db2.gz	SGBRKMZZCJDQFJ-INIZCTEOSA-N	1	0	361.490	1.659	20	30		FDEDRO
C#Cc1cccc(CNC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1	ZINC000883683718	982374298	/nfs/dbraw/zinc/37/42/98/982374298.db2.gz	JFCTXIPLQZFHGK-UHFFFAOYSA-N	1	0	368.481	1.683	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000883748043	982435023	/nfs/dbraw/zinc/43/50/23/982435023.db2.gz	WKDZLMBQVARBAY-LJQANCHMSA-N	1	0	373.497	1.741	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1	ZINC000859019959	982461291	/nfs/dbraw/zinc/46/12/91/982461291.db2.gz	BVNFDTRNMVNUPN-LJQANCHMSA-N	1	0	365.518	1.949	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2	ZINC001110765605	982495467	/nfs/dbraw/zinc/49/54/67/982495467.db2.gz	IDEPSLYKQITNSZ-HZMVEIRTSA-N	1	0	360.502	1.027	20	30		FDEDRO
C[N@H+](CCCNC(=O)OC(C)(C)C)C[C@H](O)CC1(C#N)CCOCC1	ZINC000859146758	982575095	/nfs/dbraw/zinc/57/50/95/982575095.db2.gz	YNZSGZYIGOOKRH-OAHLLOKOSA-N	1	0	355.479	1.904	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000883874205	982575947	/nfs/dbraw/zinc/57/59/47/982575947.db2.gz	OPIUDEZGFLKXPU-GOSISDBHSA-N	1	0	361.486	1.640	20	30		FDEDRO
CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000859158615	982584528	/nfs/dbraw/zinc/58/45/28/982584528.db2.gz	FTZYFGPKEOTLHQ-HZPDHXFCSA-N	1	0	367.490	1.999	20	30		FDEDRO
N#CC1(C[C@H](O)CN2CCOC[C@H]2C[C@H](O)c2ccco2)CCOCC1	ZINC000859165271	982589376	/nfs/dbraw/zinc/58/93/76/982589376.db2.gz	GKCDPDGQHDMXLI-IKGGRYGDSA-N	1	0	364.442	1.475	20	30		FDEDRO
C=CCNC(=O)N1CCC[C@@H]([NH+]2CC(CNC(=O)OC(C)(C)C)C2)C1	ZINC001202567413	982589542	/nfs/dbraw/zinc/58/95/42/982589542.db2.gz	AGIWEXZKYMSMIA-OAHLLOKOSA-N	1	0	352.479	1.803	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CCC1CN(C(=O)OC(C)(C)C)C1	ZINC000859209911	982621295	/nfs/dbraw/zinc/62/12/95/982621295.db2.gz	OUSQBFWPENNWHF-UHFFFAOYSA-N	1	0	362.478	1.985	20	30		FDEDRO
CC(C)(C)OC(=O)NC[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)C1CC1	ZINC000859247851	982644643	/nfs/dbraw/zinc/64/46/43/982644643.db2.gz	CEUBLLCLPMMIQI-HZPDHXFCSA-N	1	0	367.490	1.951	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@@H+]2CCCC[C@H]2COC(=O)NC2CC2)CCOCC1	ZINC000859307368	982699934	/nfs/dbraw/zinc/69/99/34/982699934.db2.gz	VCQXOYHLUISRAV-DLBZAZTESA-N	1	0	365.474	1.801	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCN(C(=O)c3ccccc3)CC1)C2	ZINC000884054084	982772519	/nfs/dbraw/zinc/77/25/19/982772519.db2.gz	QCNHCDHQGUCBNU-OHTSDLOESA-N	1	0	352.438	1.110	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3c(c1)NC(=O)CO3)C2	ZINC001110773030	982786124	/nfs/dbraw/zinc/78/61/24/982786124.db2.gz	XKMHQFKCHFFGAX-FMKPAKJESA-N	1	0	356.426	1.714	20	30		FDEDRO
C=CC[C@@H]1CC[N@@H+](CC(=O)NN2C(=O)N[C@@](CC)(c3ccccc3)C2=O)C1	ZINC000859445944	982815505	/nfs/dbraw/zinc/81/55/05/982815505.db2.gz	WKWJHKULZHIQFY-QRWLVFNGSA-N	1	0	370.453	1.773	20	30		FDEDRO
CCOC(=O)[C@H](Cc1ccccc1)NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884068219	982815797	/nfs/dbraw/zinc/81/57/97/982815797.db2.gz	IJAKVWUNEZDSLW-ASPXRTSYSA-N	1	0	355.438	1.416	20	30		FDEDRO
CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1	ZINC000884115072	982890269	/nfs/dbraw/zinc/89/02/69/982890269.db2.gz	IQIIRVFCUVVLPY-OJTJJIOLSA-N	1	0	360.502	1.669	20	30		FDEDRO
CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1	ZINC000884115073	982890756	/nfs/dbraw/zinc/89/07/56/982890756.db2.gz	IQIIRVFCUVVLPY-QQKHQHAUSA-N	1	0	360.502	1.669	20	30		FDEDRO
CSc1ccc(CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1C#N	ZINC000884128224	982910303	/nfs/dbraw/zinc/91/03/03/982910303.db2.gz	XSMOHOLOOBCFRS-HOTGVXAUSA-N	1	0	360.483	1.943	20	30		FDEDRO
Cc1ccc(CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c(O[C@@H]2CCOC2)c1	ZINC000884164073	982940066	/nfs/dbraw/zinc/94/00/66/982940066.db2.gz	XMXGUGIABTTXIB-BKVYSMKUSA-N	1	0	369.465	1.918	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)N2CCC(C#N)CC2)C1	ZINC000331774531	982940699	/nfs/dbraw/zinc/94/06/99/982940699.db2.gz	FUGKZSCPOOIHPG-AEFFLSMTSA-N	1	0	360.502	1.862	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1ccccc1N1CCC(O)CC1)C2	ZINC000884197089	982972439	/nfs/dbraw/zinc/97/24/39/982972439.db2.gz	JVIMMNOGFASEAF-RDYUPDBUSA-N	1	0	354.454	1.726	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1	ZINC000884207434	982983196	/nfs/dbraw/zinc/98/31/96/982983196.db2.gz	WBZYGBMWRPCECC-INIZCTEOSA-N	1	0	363.483	1.621	20	30		FDEDRO
COc1cc(F)ccc1N1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1	ZINC000884221943	982996121	/nfs/dbraw/zinc/99/61/21/982996121.db2.gz	DMGZORGKVIHIGA-RDYUPDBUSA-N	1	0	372.444	1.622	20	30		FDEDRO
CN(C)[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1c(F)cccc1F	ZINC000884223850	982998022	/nfs/dbraw/zinc/99/80/22/982998022.db2.gz	ZSGNAHANUMHAGN-VSELKDKVSA-N	1	0	362.424	1.823	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1	ZINC000884226112	982999201	/nfs/dbraw/zinc/99/92/01/982999201.db2.gz	KZOGXWOXBIRPDG-KEYYUXOJSA-N	1	0	365.499	1.694	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)C1	ZINC000884242187	983020242	/nfs/dbraw/zinc/02/02/42/983020242.db2.gz	OKBYYUUCWPZUBP-RTBURBONSA-N	1	0	368.481	1.432	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1	ZINC000884268801	983041447	/nfs/dbraw/zinc/04/14/47/983041447.db2.gz	USSUXCCDIVNHRC-CEXWTWQISA-N	1	0	373.497	1.632	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCCCN3C[C@@H]2C)CC1	ZINC000332497685	983064164	/nfs/dbraw/zinc/06/41/64/983064164.db2.gz	ZISOMLMZXFTZKF-FUHWJXTLSA-N	1	0	362.518	1.228	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCN(Cc3cccc(F)c3)CC1)C2	ZINC000884307084	983071342	/nfs/dbraw/zinc/07/13/42/983071342.db2.gz	YAKGTFCDPRFIFA-OHTSDLOESA-N	1	0	356.445	1.609	20	30		FDEDRO
Cn1cc([C@@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c2ccc(F)cc2)cn1	ZINC000884325425	983086601	/nfs/dbraw/zinc/08/66/01/983086601.db2.gz	QJIVDOJWWZNJQC-MLLYERIISA-N	1	0	367.428	1.904	20	30		FDEDRO
COC(=O)[C@](C)(CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccccc1	ZINC000884333996	983093139	/nfs/dbraw/zinc/09/31/39/983093139.db2.gz	DIYUQVLVMABWGZ-ITPMNLSTSA-N	1	0	355.438	1.373	20	30		FDEDRO
COC(=O)[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccc(F)cc1	ZINC000884334995	983094264	/nfs/dbraw/zinc/09/42/64/983094264.db2.gz	HUPUXSRSVCPRSO-XLMXBGDPSA-N	1	0	359.401	1.338	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCNC(=O)[C@H]1CC1CCCCC1)C2	ZINC000884348382	983106530	/nfs/dbraw/zinc/10/65/30/983106530.db2.gz	XPONEALSQZWTHG-ZEVUXNIQSA-N	1	0	358.486	1.423	20	30		FDEDRO
COc1ccccc1OC[C@H](C)CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884378554	983126791	/nfs/dbraw/zinc/12/67/91/983126791.db2.gz	WLMGYYYWFMCCPF-JQCXZVQFSA-N	1	0	357.454	1.966	20	30		FDEDRO
CNC(=O)CNC(=S)NN=C1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2	ZINC000884429877	983150832	/nfs/dbraw/zinc/15/08/32/983150832.db2.gz	XIUNGGBHOIISOR-HOCLYGCPSA-N	1	0	359.499	1.237	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000884450288	983162149	/nfs/dbraw/zinc/16/21/49/983162149.db2.gz	DKBYOJMIJUZIEJ-JQHSSLGASA-N	1	0	359.470	1.317	20	30		FDEDRO
CC(=O)Nc1cccc2c1CN(C(=O)C1CC3(C1)C[NH2+]C[C@H]3C#N)CC2	ZINC000884458591	983166988	/nfs/dbraw/zinc/16/69/88/983166988.db2.gz	JEPZLJNVHOGWCM-LFDOHDQPSA-N	1	0	352.438	1.669	20	30		FDEDRO
CC(=O)Nc1cccc2c1CN(C(=O)C1CC3(C1)C[NH2+]C[C@@H]3C#N)CC2	ZINC000884458592	983167091	/nfs/dbraw/zinc/16/70/91/983167091.db2.gz	JEPZLJNVHOGWCM-NGEICVOHSA-N	1	0	352.438	1.669	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@@H+]([C@@H](C)COC)[C@H]2CCc3ccccc32)CC1	ZINC000860113530	983241438	/nfs/dbraw/zinc/24/14/38/983241438.db2.gz	MIPZBANKAZRCDB-RXVVDRJESA-N	1	0	369.509	1.788	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(C)(C)c2ccc(C#N)cc2)CC1	ZINC000860183583	983276384	/nfs/dbraw/zinc/27/63/84/983276384.db2.gz	LNPWTHULVIJEQY-GOSISDBHSA-N	1	0	368.481	1.601	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccc(C(=O)N2CCOCC2)cc1	ZINC000860530153	983433021	/nfs/dbraw/zinc/43/30/21/983433021.db2.gz	RCBBPFPIQOJWCO-SFHVURJKSA-N	1	0	356.422	1.413	20	30		FDEDRO
C#CC[C@@H](NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)c1ccccc1	ZINC000861615358	983792687	/nfs/dbraw/zinc/79/26/87/983792687.db2.gz	LKVHHOXMIDMEPH-GOSISDBHSA-N	1	0	369.469	1.103	20	30		FDEDRO
O=C(N[C@@H]1CCCN(O)C1=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1	ZINC000861828463	983943642	/nfs/dbraw/zinc/94/36/42/983943642.db2.gz	ROFIAWITHABJKA-RCCFBDPRSA-N	1	0	357.454	1.641	20	30		FDEDRO
C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1	ZINC000861978533	984019333	/nfs/dbraw/zinc/01/93/33/984019333.db2.gz	WVVFHNBBYYPNHV-INIZCTEOSA-N	1	0	356.470	1.802	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1	ZINC000862091301	984104952	/nfs/dbraw/zinc/10/49/52/984104952.db2.gz	IHIZJQYZCXUQGR-MRXNPFEDSA-N	1	0	355.438	1.770	20	30		FDEDRO
C=CC[C@]1(C(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)CCC[NH2+]1	ZINC001588764785	984123392	/nfs/dbraw/zinc/12/33/92/984123392.db2.gz	IQBYKVHJYCSREY-HXUWFJFHSA-N	1	0	372.469	1.530	20	30		FDEDRO
C[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1	ZINC000118986269	984422246	/nfs/dbraw/zinc/42/22/46/984422246.db2.gz	MAJFZKRYAFXVQS-UHFFFAOYSA-N	1	0	362.405	1.515	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCN2Cc2ccc(OC)cc2)CC1	ZINC000862754887	984522117	/nfs/dbraw/zinc/52/21/17/984522117.db2.gz	HIYWXYXBGGOBHN-IBGZPJMESA-N	1	0	355.482	1.731	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)cc1	ZINC000862789622	984535290	/nfs/dbraw/zinc/53/52/90/984535290.db2.gz	MLANZURCQOMEJB-OAHLLOKOSA-N	1	0	363.483	1.060	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)c2sccc2CC#N)(N2CCOCC2)CC1	ZINC000868864651	984649051	/nfs/dbraw/zinc/64/90/51/984649051.db2.gz	UXSPIBCFTHULCG-UHFFFAOYSA-N	1	0	362.499	1.341	20	30		FDEDRO
C=CCCC[C@@H](NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)c1ccccc1	ZINC000884723613	984729940	/nfs/dbraw/zinc/72/99/40/984729940.db2.gz	RPIYXJNUSDFBLW-QZTJIDSGSA-N	1	0	359.470	1.695	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)NC1CC[NH+](C[C@H]3CCCO3)CC1)C2	ZINC000869190133	984932986	/nfs/dbraw/zinc/93/29/86/984932986.db2.gz	YRHRXFRURHOPCW-WOJBJXKFSA-N	1	0	368.481	1.968	20	30		FDEDRO
CC[NH+]1CCN(CCNS(=O)(=O)c2ccc(CCC#N)cc2)CC1	ZINC000885122894	985189703	/nfs/dbraw/zinc/18/97/03/985189703.db2.gz	AZLGROFCTPHYCI-UHFFFAOYSA-N	1	0	350.488	1.059	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F	ZINC000885283984	985287608	/nfs/dbraw/zinc/28/76/08/985287608.db2.gz	BSWPCFLJVCSGBQ-ZDUSSCGKSA-N	1	0	355.385	1.198	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2ccc(CCC#N)cc2)CCO1	ZINC000885311119	985323404	/nfs/dbraw/zinc/32/34/04/985323404.db2.gz	NNKGEZNVXNIZRT-QGZVFWFLSA-N	1	0	365.499	1.874	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](OC(C)C)C2)CC1	ZINC000653392998	1015119108	/nfs/dbraw/zinc/11/91/08/1015119108.db2.gz	PVUYUOUBUDDJKF-KRWDZBQOSA-N	1	0	351.491	1.559	20	30		FDEDRO
C[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)CC(C)(CO)CO	ZINC000135943537	985444863	/nfs/dbraw/zinc/44/48/63/985444863.db2.gz	GTQKUFBCHBZWLR-CQSZACIVSA-N	1	0	354.410	1.146	20	30		FDEDRO
C[C@@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)c1ccc(C#N)cc1F	ZINC000885845447	985691300	/nfs/dbraw/zinc/69/13/00/985691300.db2.gz	KBSWKOPCMUIIBP-CYBMUJFWSA-N	1	0	360.414	1.992	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)cc1C#N	ZINC000885847193	985695398	/nfs/dbraw/zinc/69/53/98/985695398.db2.gz	FBYQMKWYPHXVDM-CYBMUJFWSA-N	1	0	357.439	1.556	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C	ZINC000885848386	985696412	/nfs/dbraw/zinc/69/64/12/985696412.db2.gz	SVDIPAUIOIWQEV-GJZGRUSLSA-N	1	0	351.476	1.318	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C	ZINC000885848387	985696568	/nfs/dbraw/zinc/69/65/68/985696568.db2.gz	SVDIPAUIOIWQEV-HUUCEWRRSA-N	1	0	351.476	1.318	20	30		FDEDRO
C#CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)C1	ZINC000886353863	986092171	/nfs/dbraw/zinc/09/21/71/986092171.db2.gz	RIMMPDRTKGRSIT-VXGBXAGGSA-N	1	0	367.371	1.892	20	30		FDEDRO
C#CCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)OC)C1CC[NH+](C)CC1	ZINC000886572528	986371563	/nfs/dbraw/zinc/37/15/63/986371563.db2.gz	PFHLKKUCBPZLBK-HNNXBMFYSA-N	1	0	353.463	1.082	20	30		FDEDRO
C#CCN(C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1	ZINC000886572607	986371943	/nfs/dbraw/zinc/37/19/43/986371943.db2.gz	SVBRGKIYIIGHIN-UHFFFAOYSA-N	1	0	350.806	2.000	20	30		FDEDRO
C#CCN(C(=O)[C@@H](C)NC(=O)CCc1ccccc1)C1CC[NH+](C)CC1	ZINC000886576093	986375623	/nfs/dbraw/zinc/37/56/23/986375623.db2.gz	XAFMHWRIWGUVMR-QGZVFWFLSA-N	1	0	355.482	1.680	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CSC(c2ccccc2O)=N1)C1CC[NH+](C)CC1	ZINC000886575659	986375699	/nfs/dbraw/zinc/37/56/99/986375699.db2.gz	DIOYJSFJPZCEBF-INIZCTEOSA-N	1	0	357.479	1.810	20	30		FDEDRO
C#CCN(C(=O)CN(C)C(=O)OCc1ccccc1)C1CC[NH+](C)CC1	ZINC000886577860	986378600	/nfs/dbraw/zinc/37/86/00/986378600.db2.gz	ZUFABHQMTRUZCM-UHFFFAOYSA-N	1	0	357.454	1.811	20	30		FDEDRO
C#CCN(C(=O)CCN1c2ccccc2CCC1=O)C1CC[NH+](C)CC1	ZINC000886581372	986383472	/nfs/dbraw/zinc/38/34/72/986383472.db2.gz	VIKUFZPHYXCWQD-UHFFFAOYSA-N	1	0	353.466	1.912	20	30		FDEDRO
C#CCN(C(=O)CCc1nc(-c2ccccn2)no1)C1CC[NH+](C)CC1	ZINC000886583344	986387448	/nfs/dbraw/zinc/38/74/48/986387448.db2.gz	MIWJHULVRNYTQX-UHFFFAOYSA-N	1	0	353.426	1.620	20	30		FDEDRO
C#CCN(C(=O)C1=NN(Cc2ccccc2)C(=O)CC1)C1CC[NH+](C)CC1	ZINC000886583151	986387900	/nfs/dbraw/zinc/38/79/00/986387900.db2.gz	DGDYOVMBEHSYDL-UHFFFAOYSA-N	1	0	366.465	1.721	20	30		FDEDRO
C#CCN(C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C1CC[NH+](C)CC1	ZINC000886589093	986395455	/nfs/dbraw/zinc/39/54/55/986395455.db2.gz	JPLHAOWHMFYOPZ-UHFFFAOYSA-N	1	0	369.874	1.157	20	30		FDEDRO
COC(=O)[C@@H]1C[C@@H]1CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000889316464	986476709	/nfs/dbraw/zinc/47/67/09/986476709.db2.gz	ONHSJEBXXJIWNQ-SJLPKXTDSA-N	1	0	370.453	1.631	20	30		FDEDRO
C=CCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1	ZINC000871053814	986620982	/nfs/dbraw/zinc/62/09/82/986620982.db2.gz	JHXVCQDWPXTORO-GOEBONIOSA-N	1	0	360.506	1.913	20	30		FDEDRO
C=CCn1c(-c2cccnc2)nnc1N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000871059649	986629387	/nfs/dbraw/zinc/62/93/87/986629387.db2.gz	CNWYJTZCLWLAFV-UHFFFAOYSA-N	1	0	367.501	1.742	20	30		FDEDRO
COCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1	ZINC000871081663	986651660	/nfs/dbraw/zinc/65/16/60/986651660.db2.gz	AVEGWWSYHSWFFR-MSOLQXFVSA-N	1	0	366.469	1.994	20	30		FDEDRO
CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000886891920	986696081	/nfs/dbraw/zinc/69/60/81/986696081.db2.gz	LBHYUYILAYUECG-NSHDSACASA-N	1	0	358.261	1.693	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)N[C@]3(CC[N@H+](Cc4ccccc4)C3)C2=O)o1	ZINC000871667458	987185790	/nfs/dbraw/zinc/18/57/90/987185790.db2.gz	LIZXOPJIZHPSIH-IBGZPJMESA-N	1	0	350.378	1.848	20	30		FDEDRO
CC(C)(O)C[C@H](O)C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000871976105	987393942	/nfs/dbraw/zinc/39/39/42/987393942.db2.gz	BKDSOIJNKABMAZ-INIZCTEOSA-N	1	0	354.454	1.750	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1COc2cccc(Br)c2C1	ZINC000872234901	987533145	/nfs/dbraw/zinc/53/31/45/987533145.db2.gz	JHKGKIIQSWHEFP-OLZOCXBDSA-N	1	0	368.275	1.549	20	30		FDEDRO
N#Cc1cccc(NC(=O)CC[N@@H+]2CCNC(=O)CC23CCOCC3)c1	ZINC000872285930	987571309	/nfs/dbraw/zinc/57/13/09/987571309.db2.gz	MWZYLJCXYUGAMP-UHFFFAOYSA-N	1	0	356.426	1.258	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1	ZINC000872597815	987836189	/nfs/dbraw/zinc/83/61/89/987836189.db2.gz	PRNWNJJCLIGNNB-ZWKOTPCHSA-N	1	0	362.499	1.531	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC000365679183	987968332	/nfs/dbraw/zinc/96/83/32/987968332.db2.gz	LGLFSCJPQSPVLQ-IRXDYDNUSA-N	1	0	361.417	1.901	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(CN3CC(=O)N(Cc4ccc(C#N)cc4)C3=O)CC[C@@H]21	ZINC000872725180	988011269	/nfs/dbraw/zinc/01/12/69/988011269.db2.gz	CLNKNXLKWMUYSP-MSOLQXFVSA-N	1	0	367.453	1.306	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)cc1OCC(F)F	ZINC000293320735	988033722	/nfs/dbraw/zinc/03/37/22/988033722.db2.gz	IUDVEJLZJOWYFT-UHFFFAOYSA-N	1	0	371.359	1.479	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(OC)c1	ZINC000360585709	988082858	/nfs/dbraw/zinc/08/28/58/988082858.db2.gz	SFDMNRHXTUYPKP-MSOLQXFVSA-N	1	0	374.481	1.860	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@H]([C@@H]3COC(C)(C)O3)C2)CC1	ZINC000872882055	988230579	/nfs/dbraw/zinc/23/05/79/988230579.db2.gz	SIFBKMVPWKBZOG-IRXDYDNUSA-N	1	0	367.490	1.589	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccco1	ZINC000293867013	988241841	/nfs/dbraw/zinc/24/18/41/988241841.db2.gz	BOXBIHWDIAIVLF-GOSISDBHSA-N	1	0	367.449	1.692	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC(NC(=O)c3ccc[nH]3)CC2)CC1	ZINC000361554777	988414448	/nfs/dbraw/zinc/41/44/48/988414448.db2.gz	KVPNKUVKEKPELR-UHFFFAOYSA-N	1	0	359.474	1.569	20	30		FDEDRO
C[C@@H](C#N)CN(C)C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1	ZINC000873016634	988419501	/nfs/dbraw/zinc/41/95/01/988419501.db2.gz	OGIGXSXCEARKDW-DJPFJPOOSA-N	1	0	368.481	1.585	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1	ZINC000366190568	988524570	/nfs/dbraw/zinc/52/45/70/988524570.db2.gz	HNQUAHYTEPLDDR-INIZCTEOSA-N	1	0	359.426	1.315	20	30		FDEDRO
N#Cc1ccc(Cl)c(NC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1	ZINC000873108523	988574151	/nfs/dbraw/zinc/57/41/51/988574151.db2.gz	YWZITAYCBVJPMG-VHSXEESVSA-N	1	0	374.750	1.746	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)CC1	ZINC000366419597	988687772	/nfs/dbraw/zinc/68/77/72/988687772.db2.gz	LXMUOFYVLZQNDB-YJBOKZPZSA-N	1	0	359.474	1.096	20	30		FDEDRO
CCC[NH+]1CCC(N2CCN(c3ncc([N+](=O)[O-])cc3C#N)CC2)CC1	ZINC000362701037	988708942	/nfs/dbraw/zinc/70/89/42/988708942.db2.gz	DZQDBTNIXUZPSQ-UHFFFAOYSA-N	1	0	358.446	1.858	20	30		FDEDRO
COc1ccc(C[N@@H+]2CC[C@H]3C(=O)NC(=O)[C@H]3C2)cc1OCCCC#N	ZINC000366486382	988713435	/nfs/dbraw/zinc/71/34/35/988713435.db2.gz	XKVTVXRFSFTIQI-CABCVRRESA-N	1	0	357.410	1.472	20	30		FDEDRO
N#CCCN(C(=O)CN1CCC[C@H]1C[N@H+]1CCC[C@H]1CO)c1ccccc1	ZINC000362813669	988737330	/nfs/dbraw/zinc/73/73/30/988737330.db2.gz	JIKRTACBRKLHSF-PMACEKPBSA-N	1	0	370.497	1.854	20	30		FDEDRO
C#CCCN1CCN(C(=O)[C@H]2CCCCN2C(=O)c2cccnc2)CC1	ZINC000362921091	988778772	/nfs/dbraw/zinc/77/87/72/988778772.db2.gz	YHLNRZJKSXSMFR-GOSISDBHSA-N	1	0	354.454	1.244	20	30		FDEDRO
C=CCn1c(C(=O)NC(C)C)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1	ZINC000296086542	988952060	/nfs/dbraw/zinc/95/20/60/988952060.db2.gz	XUFGNBFHOFDFLV-HNNXBMFYSA-N	1	0	360.506	1.913	20	30		FDEDRO
N#CCNC(=O)CNC(=O)[C@H]1CC[N@H+](C[C@H]2CCCc3ccccc32)C1	ZINC000367733542	988965227	/nfs/dbraw/zinc/96/52/27/988965227.db2.gz	IRVSIJYUYIPTKM-SJORKVTESA-N	1	0	354.454	1.184	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc(C(=O)OC)nn2)C1	ZINC000368358370	988991009	/nfs/dbraw/zinc/99/10/09/988991009.db2.gz	UBMLSCHZYPZDGQ-LSDHHAIUSA-N	1	0	361.446	1.291	20	30		FDEDRO
C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](Cc2nnc3ccccn32)C1)C1CC1	ZINC000368775838	989007816	/nfs/dbraw/zinc/00/78/16/989007816.db2.gz	USTYUAFKCWWOSV-YWZLYKJASA-N	1	0	366.469	1.792	20	30		FDEDRO
Cc1oc(NC(=O)CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(C#N)c1C	ZINC000369264791	989039823	/nfs/dbraw/zinc/03/98/23/989039823.db2.gz	IQMVAKADYZIUIB-KBXCAEBGSA-N	1	0	373.501	1.664	20	30		FDEDRO
COc1ccccc1COC[C@@H](O)C[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000369729193	989126264	/nfs/dbraw/zinc/12/62/64/989126264.db2.gz	ICFUPHHHWREZNQ-KRWDZBQOSA-N	1	0	371.441	1.373	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)cc1	ZINC000296338637	989130899	/nfs/dbraw/zinc/13/08/99/989130899.db2.gz	HFMHPUAUNABBHK-GOSISDBHSA-N	1	0	372.513	1.771	20	30		FDEDRO
Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1	ZINC000873772763	989153279	/nfs/dbraw/zinc/15/32/79/989153279.db2.gz	LHGFWHPAPXHDPL-GUYCJALGSA-N	1	0	358.417	1.887	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1	ZINC000296545741	989273787	/nfs/dbraw/zinc/27/37/87/989273787.db2.gz	VREZVONHJHGPNS-SFHVURJKSA-N	1	0	371.481	1.999	20	30		FDEDRO
Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CNC(=O)C#Cc1ccccc1	ZINC000370008881	989380493	/nfs/dbraw/zinc/38/04/93/989380493.db2.gz	IWHJVAIUMABYLG-UHFFFAOYSA-N	1	0	365.481	1.538	20	30		FDEDRO
C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)C1CCN(c2ncccn2)CC1	ZINC000370080983	989437703	/nfs/dbraw/zinc/43/77/03/989437703.db2.gz	CFZROQOTVAVEDH-GOSISDBHSA-N	1	0	367.453	1.689	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](Cc2nnc3ccccn32)C1	ZINC000363826988	989448469	/nfs/dbraw/zinc/44/84/69/989448469.db2.gz	UBOPAFWGADZROB-INIZCTEOSA-N	1	0	354.458	1.746	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1	ZINC000296974583	989455126	/nfs/dbraw/zinc/45/51/26/989455126.db2.gz	ITDKWDLPPSCRLW-PMACEKPBSA-N	1	0	371.481	1.876	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1C#N	ZINC000873938898	989489762	/nfs/dbraw/zinc/48/97/62/989489762.db2.gz	XHUSYNIICZQYIW-HZPDHXFCSA-N	1	0	356.426	1.638	20	30		FDEDRO
Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC000873947271	989508240	/nfs/dbraw/zinc/50/82/40/989508240.db2.gz	GVGLJKJQVIAUMN-OAHLLOKOSA-N	1	0	374.416	1.002	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)C1CCN(Cc2cc(C)no2)CC1	ZINC000370170975	989514419	/nfs/dbraw/zinc/51/44/19/989514419.db2.gz	WKWPMDDGBDILLN-HNNXBMFYSA-N	1	0	361.490	1.887	20	30		FDEDRO
N#Cc1ccc([C@H](O)CN2CCC[C@@H]2C(=O)NCC2CCOCC2)cc1	ZINC000370185655	989530895	/nfs/dbraw/zinc/53/08/95/989530895.db2.gz	RMLYUXUMUIVFCM-RTBURBONSA-N	1	0	357.454	1.599	20	30		FDEDRO
CC1CC[NH+](CCNC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1	ZINC000364388739	989556280	/nfs/dbraw/zinc/55/62/80/989556280.db2.gz	SSWXNMIAFAFJCF-LJQANCHMSA-N	1	0	368.481	1.897	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000364533246	989632179	/nfs/dbraw/zinc/63/21/79/989632179.db2.gz	JSWAPEVXUDYKAK-OALUTQOASA-N	1	0	368.481	1.992	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)COc1ccc(C#N)cc1	ZINC000364540650	989635583	/nfs/dbraw/zinc/63/55/83/989635583.db2.gz	CTAMXZJCOLNAPZ-MNEFBYGVSA-N	1	0	357.454	1.943	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)N2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)cc1	ZINC000370300384	989638198	/nfs/dbraw/zinc/63/81/98/989638198.db2.gz	IOUAKNINOWLVDW-MSOLQXFVSA-N	1	0	372.469	1.568	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cc1	ZINC000297723494	989659275	/nfs/dbraw/zinc/65/92/75/989659275.db2.gz	YUTYOZVMFMJVDI-HXUWFJFHSA-N	1	0	372.513	1.770	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1	ZINC000364825539	989821912	/nfs/dbraw/zinc/82/19/12/989821912.db2.gz	ZHCXALKLYGCALJ-JLYLLQBASA-N	1	0	373.501	1.547	20	30		FDEDRO
COCCN(CC[NH+](C)C)C(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000365029481	989969583	/nfs/dbraw/zinc/96/95/83/989969583.db2.gz	YNABLRPITAQTEH-SFHVURJKSA-N	1	0	372.469	1.086	20	30		FDEDRO
CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000365074230	990000748	/nfs/dbraw/zinc/00/07/48/990000748.db2.gz	VFTQYEUTELZBFW-OALUTQOASA-N	1	0	368.481	1.849	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCCN(c3ccccc3C(N)=O)C2)CC1	ZINC000370875992	990078017	/nfs/dbraw/zinc/07/80/17/990078017.db2.gz	JPGHFLODFKZNMB-KRWDZBQOSA-N	1	0	368.481	1.216	20	30		FDEDRO
Cn1cc([C@H]2[C@H](CNC(=O)COc3ccc(C#N)cc3)CCC[N@@H+]2C)cn1	ZINC000370919373	990122919	/nfs/dbraw/zinc/12/29/19/990122919.db2.gz	WAPBJNFQVZJFFF-OXJNMPFZSA-N	1	0	367.453	1.870	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C	ZINC000874364675	990178286	/nfs/dbraw/zinc/17/82/86/990178286.db2.gz	NDSIWGPDDOFULJ-IRXDYDNUSA-N	1	0	370.453	1.979	20	30		FDEDRO
C#C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccnn2C2CC[NH+](CC)CC2)CC1	ZINC000874372313	990209340	/nfs/dbraw/zinc/20/93/40/990209340.db2.gz	BSYHMQMJWIDUKM-WKILWMFISA-N	1	0	371.485	1.787	20	30		FDEDRO
CCOC(=O)[C@H]1CCCN(C(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)C1	ZINC000298751545	990259319	/nfs/dbraw/zinc/25/93/19/990259319.db2.gz	CHJYUEIDDSBQII-INIZCTEOSA-N	1	0	355.438	1.939	20	30		FDEDRO
C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CN(c3ccccn3)C[C@H]1C)C2	ZINC001095429009	990271246	/nfs/dbraw/zinc/27/12/46/990271246.db2.gz	ZDIFYFZEEGVVCA-QQXKLLMISA-N	1	0	352.482	1.899	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CCC[N@@H+](C)C2)s1	ZINC000874446378	990287520	/nfs/dbraw/zinc/28/75/20/990287520.db2.gz	ICWKLYIIXZWUBA-ZDUSSCGKSA-N	1	0	371.528	1.213	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cn(C)nc1-c1ccccc1	ZINC000298820097	990296414	/nfs/dbraw/zinc/29/64/14/990296414.db2.gz	BIBSZEHIUXNGNS-UHFFFAOYSA-N	1	0	353.426	1.097	20	30		FDEDRO
CN1CC[NH+](C[C@@H]2CCCN(CC(=O)Nc3ccc(C#N)cc3)C2)CC1	ZINC000371425105	990422563	/nfs/dbraw/zinc/42/25/63/990422563.db2.gz	QXQSAVQFYZDPKS-SFHVURJKSA-N	1	0	355.486	1.456	20	30		FDEDRO
CN(CC(=O)NCc1ccc(C#N)cc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000371426919	990423803	/nfs/dbraw/zinc/42/38/03/990423803.db2.gz	ZMMQDLJLBWKATD-FQEVSTJZSA-N	1	0	369.513	1.275	20	30		FDEDRO
CC[NH+]1CCN(CCCNC(=O)[C@]2(C#N)CCc3ccccc3C2)CC1	ZINC000371505373	990486317	/nfs/dbraw/zinc/48/63/17/990486317.db2.gz	IWKBWZNCOMAWKX-OAQYLSRUSA-N	1	0	354.498	1.829	20	30		FDEDRO
Cn1c(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cccc1=O	ZINC000371541794	990512172	/nfs/dbraw/zinc/51/21/72/990512172.db2.gz	FHSWAGRMAPYDPE-UHFFFAOYSA-N	1	0	350.422	1.673	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@H]4[C@H]3CCC[N@H+]4C)CC2)o1	ZINC000874829350	990555029	/nfs/dbraw/zinc/55/50/29/990555029.db2.gz	KJOJXKLNIGBAEQ-DLBZAZTESA-N	1	0	357.458	1.766	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)cc1	ZINC000874845406	990571511	/nfs/dbraw/zinc/57/15/11/990571511.db2.gz	GIEZMILSXLIVKC-SJORKVTESA-N	1	0	363.483	1.460	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)[C@@]2([NH+](C)C)CCc3ccccc32)CC1	ZINC000371627012	990580820	/nfs/dbraw/zinc/58/08/20/990580820.db2.gz	HULKQCYRKMHRDO-OAQYLSRUSA-N	1	0	353.466	1.378	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1	ZINC000964592856	1015575401	/nfs/dbraw/zinc/57/54/01/1015575401.db2.gz	YFTAJCVZJCOKCJ-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
CC(C)[NH+]1CCC(CCNC(=O)C(=O)NCc2cccc(C#N)c2)CC1	ZINC000875051133	990794464	/nfs/dbraw/zinc/79/44/64/990794464.db2.gz	ZRWOWNJMLSHVBW-UHFFFAOYSA-N	1	0	356.470	1.801	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1	ZINC000875061187	990811720	/nfs/dbraw/zinc/81/17/20/990811720.db2.gz	WUBDBHRRQGXPIU-RBUKOAKNSA-N	1	0	371.481	1.484	20	30		FDEDRO
C[NH+](C)CCN1CCCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1	ZINC000371981443	990871656	/nfs/dbraw/zinc/87/16/56/990871656.db2.gz	XGROGFXANJLENM-UHFFFAOYSA-N	1	0	358.486	1.812	20	30		FDEDRO
N#Cc1cccc(OCCCN2CCN([C@@H]3CCCCNC3=O)CC2)c1	ZINC000372006583	990888206	/nfs/dbraw/zinc/88/82/06/990888206.db2.gz	LWDJOXFSORTKCN-LJQANCHMSA-N	1	0	356.470	1.613	20	30		FDEDRO
CN1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3F)CC2)C[C@H]1C#N	ZINC000372217800	990967093	/nfs/dbraw/zinc/96/70/93/990967093.db2.gz	QVFIVWBPUIDIRK-GOSISDBHSA-N	1	0	373.476	1.887	20	30		FDEDRO
CCOC(=O)C1(NC(=O)Cc2ccc(OCC#N)cc2)CC[NH+](C)CC1	ZINC000372326792	991017114	/nfs/dbraw/zinc/01/71/14/991017114.db2.gz	VUMFOSLLCSKFOP-UHFFFAOYSA-N	1	0	359.426	1.275	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+](Cc2ccccc2)[C@@H](C)CN2CCOCC2)C1=O	ZINC000410365634	991266692	/nfs/dbraw/zinc/26/66/92/991266692.db2.gz	FCWWWOYOKYZYBS-AZUAARDMSA-N	1	0	357.498	1.996	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC000372621469	991275180	/nfs/dbraw/zinc/27/51/80/991275180.db2.gz	VHWGRZRFSBLXOI-HUUCEWRRSA-N	1	0	359.401	1.519	20	30		FDEDRO
CN1CC[NH+](C[C@@H]2CCCN(C(=O)NCc3ccc(C#N)cc3)C2)CC1	ZINC000372657936	991312167	/nfs/dbraw/zinc/31/21/67/991312167.db2.gz	WWIUDHJFZXDTPS-IBGZPJMESA-N	1	0	355.486	1.727	20	30		FDEDRO
COc1ccc(CNC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)cc1C#N	ZINC000875404675	991485945	/nfs/dbraw/zinc/48/59/45/991485945.db2.gz	DMGKTDIBRJNLAA-UHFFFAOYSA-N	1	0	372.469	1.821	20	30		FDEDRO
CN1C(=O)C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)[C@H]1c1ccc(F)cc1	ZINC000372799315	991541782	/nfs/dbraw/zinc/54/17/82/991541782.db2.gz	GRRPIUWVTVRBSL-IPELMVKDSA-N	1	0	358.417	1.496	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(CCOC)CC1CC[NH+](C)CC1	ZINC000875555144	991729776	/nfs/dbraw/zinc/72/97/76/991729776.db2.gz	KOCYCSMQRKIXOU-ZWKOTPCHSA-N	1	0	353.507	1.967	20	30		FDEDRO
Cc1c(C#N)c(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)nn1C	ZINC000875808223	992019828	/nfs/dbraw/zinc/01/98/28/992019828.db2.gz	ODMOHOUZWWHWQO-NVXWUHKLSA-N	1	0	369.473	1.786	20	30		FDEDRO
Cc1cc(=NC(=O)N=c2ccn(C3CC[NH+](C)CC3)[nH]2)[nH]n1CCC#N	ZINC000373230862	992035086	/nfs/dbraw/zinc/03/50/86/992035086.db2.gz	RINDLQKBGWVJIB-UHFFFAOYSA-N	1	0	356.434	1.056	20	30		FDEDRO
N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)O1	ZINC000373230788	992035826	/nfs/dbraw/zinc/03/58/26/992035826.db2.gz	RJWCDKVKKPIATP-FGTAOJJYSA-N	1	0	374.437	1.984	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1	ZINC000875918251	992189472	/nfs/dbraw/zinc/18/94/72/992189472.db2.gz	NTQBYHWPBVXGMD-KSZLIROESA-N	1	0	350.507	1.082	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000875920884	992193861	/nfs/dbraw/zinc/19/38/61/992193861.db2.gz	BAWQFZOWXKXARC-KSZLIROESA-N	1	0	350.507	1.225	20	30		FDEDRO
COC(=O)[C@]12C[N@H+](CC(=O)N(CCC#N)c3ccccc3)C[C@H]1COCC2	ZINC000373607593	992317902	/nfs/dbraw/zinc/31/79/02/992317902.db2.gz	HHXFRLVWGNYTLI-OXJNMPFZSA-N	1	0	371.437	1.445	20	30		FDEDRO
CC(C)[C@@H]([NH2+]CCC(=O)Nc1ccccc1C#N)C(=O)N1CCOCC1	ZINC000411475535	992444246	/nfs/dbraw/zinc/44/42/46/992444246.db2.gz	SIYSUXYIRPMWMI-GOSISDBHSA-N	1	0	358.442	1.360	20	30		FDEDRO
CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)N[C@H]1Cc2ccc(C#N)cc2C1	ZINC000876280463	992520374	/nfs/dbraw/zinc/52/03/74/992520374.db2.gz	LCWLCLWIPNJLPK-IBGZPJMESA-N	1	0	368.481	1.779	20	30		FDEDRO
C[C@H]1CN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC[N@@H+]1CC(C)(C)O	ZINC000876282717	992521761	/nfs/dbraw/zinc/52/17/61/992521761.db2.gz	WTNXALWNASTENY-KBXCAEBGSA-N	1	0	356.470	1.512	20	30		FDEDRO
CSC1([C@H](C#N)N(C)C(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)CC1	ZINC000876458012	992618233	/nfs/dbraw/zinc/61/82/33/992618233.db2.gz	MHXPITUBELEEIZ-XHSDSOJGSA-N	1	0	361.515	1.702	20	30		FDEDRO
COC[C@@]1(C[NH+](C)C)COCCN1C(=O)CSc1ccc(C#N)cc1	ZINC000876473818	992641413	/nfs/dbraw/zinc/64/14/13/992641413.db2.gz	ZQECOBBMDYSLND-SFHVURJKSA-N	1	0	363.483	1.456	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c1	ZINC000964935972	1015732787	/nfs/dbraw/zinc/73/27/87/1015732787.db2.gz	RGRSDHJGBZZWAQ-AYOQOUSVSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F	ZINC000876581941	992718895	/nfs/dbraw/zinc/71/88/95/992718895.db2.gz	RNVRNUCVXAIDSC-JOYOIKCWSA-N	1	0	354.760	1.146	20	30		FDEDRO
CC[NH2+][C@@H](C)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1	ZINC000876605084	992735726	/nfs/dbraw/zinc/73/57/26/992735726.db2.gz	QOVHSWNXMUTPOV-OGAOFSLMSA-N	1	0	352.460	1.436	20	30		FDEDRO
CCCC(=O)NC1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876605357	992736141	/nfs/dbraw/zinc/73/61/41/992736141.db2.gz	MLTQSTNLOCDPIV-IBGZPJMESA-N	1	0	354.454	1.652	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1	ZINC000876644854	992766430	/nfs/dbraw/zinc/76/64/30/992766430.db2.gz	CHMYKQSWRLFTCL-LBPRGKRZSA-N	1	0	361.826	1.774	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2	ZINC000876675770	992787243	/nfs/dbraw/zinc/78/72/43/992787243.db2.gz	OEBMNTLODGELNW-NWDGAFQWSA-N	1	0	361.225	1.731	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O	ZINC000876697013	992804859	/nfs/dbraw/zinc/80/48/59/992804859.db2.gz	NZTYWDGSMIAKJI-CABCVRRESA-N	1	0	367.833	1.395	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(Cc2ccc(OC)c(F)c2)CC1	ZINC000876714104	992821332	/nfs/dbraw/zinc/82/13/32/992821332.db2.gz	WRDZSPITROTFHD-HNNXBMFYSA-N	1	0	355.841	1.948	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCCc1nnc2n1CCCCC2	ZINC000876716353	992823514	/nfs/dbraw/zinc/82/35/14/992823514.db2.gz	YUJPMTPAPKOAPN-IBGZPJMESA-N	1	0	364.453	1.422	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000964938505	1015736545	/nfs/dbraw/zinc/73/65/45/1015736545.db2.gz	RVGHMQFYULRKAA-AOIWGVFYSA-N	1	0	363.502	1.561	20	30		FDEDRO
CN(C(=O)CN1CCO[C@H]2C[C@H]([NH+](C)C)CC[C@@H]21)C1(C#N)CCCCC1	ZINC000374419502	992831650	/nfs/dbraw/zinc/83/16/50/992831650.db2.gz	HYSPCEVQZVUDHS-SQNIBIBYSA-N	1	0	362.518	1.855	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCC(C#N)(c2ccccn2)CC1)CN1CCOCC1	ZINC000374421821	992833252	/nfs/dbraw/zinc/83/32/52/992833252.db2.gz	HHEKHOBEVPCGAK-KRWDZBQOSA-N	1	0	371.485	1.617	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	ZINC000876728975	992842413	/nfs/dbraw/zinc/84/24/13/992842413.db2.gz	AQAQMGLXBHLOFY-QGZVFWFLSA-N	1	0	351.878	1.981	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CCN(CC)CC2)cc1	ZINC000876741708	992859433	/nfs/dbraw/zinc/85/94/33/992859433.db2.gz	XTIAMJUNZWTDKW-INIZCTEOSA-N	1	0	364.877	1.873	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)CC1	ZINC000374703511	992924827	/nfs/dbraw/zinc/92/48/27/992924827.db2.gz	MAYQVSNDXHUQOH-WMZOPIPTSA-N	1	0	365.518	1.894	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H]([NH3+])[C@@H](CC)C2)s1	ZINC000876834750	992930350	/nfs/dbraw/zinc/93/03/50/992930350.db2.gz	VGOVLHZQPGEVKJ-JSGCOSHPSA-N	1	0	371.528	1.341	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](CC[NH3+])C2)s1	ZINC000876837518	992931559	/nfs/dbraw/zinc/93/15/59/992931559.db2.gz	IZDCHBMJYPSMHO-ZDUSSCGKSA-N	1	0	371.528	1.342	20	30		FDEDRO
CCCS(=O)(=O)N1CCC([NH2+]Cc2cc(C#N)cnc2Cl)CC1	ZINC000876929526	992971600	/nfs/dbraw/zinc/97/16/00/992971600.db2.gz	ZWXRMVVFVSUIMD-UHFFFAOYSA-N	1	0	356.879	1.900	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H]([NH3+])C[C@H]2C)s1	ZINC000876952593	992979848	/nfs/dbraw/zinc/97/98/48/992979848.db2.gz	UNOBOUZIHVTUFW-VXGBXAGGSA-N	1	0	357.501	1.093	20	30		FDEDRO
C[S@@](=O)C1(C(=O)NC2CCN(c3ccccc3C#N)CC2)CC[NH2+]CC1	ZINC000877175514	993088667	/nfs/dbraw/zinc/08/86/67/993088667.db2.gz	KMAVRLCXYYLWII-AREMUKBSSA-N	1	0	374.510	1.144	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCc2c(CC(N)=O)cccc2C1	ZINC000877176802	993089312	/nfs/dbraw/zinc/08/93/12/993089312.db2.gz	TUORDAPDZPXUIP-NRFANRHFSA-N	1	0	374.444	1.358	20	30		FDEDRO
CCCN1C[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1=O	ZINC000413183880	993139827	/nfs/dbraw/zinc/13/98/27/993139827.db2.gz	WCWHFOVYXXCRPW-GOSISDBHSA-N	1	0	356.470	1.707	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)c3cc(C4CC[NH2+]CC4)no3)CC2)cn1	ZINC000877297245	993194558	/nfs/dbraw/zinc/19/45/58/993194558.db2.gz	QFTRHOVHGGJPSG-UHFFFAOYSA-N	1	0	366.425	1.371	20	30		FDEDRO
CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)n1cnc(C#N)n1)Cc1ccccc1	ZINC000467067853	993262803	/nfs/dbraw/zinc/26/28/03/993262803.db2.gz	HLHYCVLLCYODOE-NVXWUHKLSA-N	1	0	354.458	1.780	20	30		FDEDRO
COC(=O)CC[C@H]1CCCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000877381079	993262829	/nfs/dbraw/zinc/26/28/29/993262829.db2.gz	ZXVZRSUWRPXFRL-AUUYWEPGSA-N	1	0	355.438	1.937	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cn(CCc3ccccc3)nn2)CC1	ZINC000826012984	993623237	/nfs/dbraw/zinc/62/32/37/993623237.db2.gz	LAORCNUBVARBRT-UHFFFAOYSA-N	1	0	351.454	1.738	20	30		FDEDRO
CN1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)C1=O	ZINC001095589416	993674236	/nfs/dbraw/zinc/67/42/36/993674236.db2.gz	YRRATFDMMNERRL-YRXWBPOGSA-N	1	0	366.465	1.648	20	30		FDEDRO
CC[NH+]1CCN(CC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CC1	ZINC000468910678	993707830	/nfs/dbraw/zinc/70/78/30/993707830.db2.gz	JOWNXLDMIPZTKA-UHFFFAOYSA-N	1	0	356.470	1.566	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CCCO1	ZINC000470114873	993953755	/nfs/dbraw/zinc/95/37/55/993953755.db2.gz	YGGGTUFITZUUNT-HNAYVOBHSA-N	1	0	367.490	1.865	20	30		FDEDRO
COC(=O)[C@]12C[N@H+](CC[C@](C#N)(C(C)=O)c3ccccc3)C[C@H]1COCC2	ZINC000878541279	994008382	/nfs/dbraw/zinc/00/83/82/994008382.db2.gz	OLVFOMDGNOKAGW-SESVDKBCSA-N	1	0	370.449	1.939	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[N@H+](CCN2CCOCC2)[C@@H]2CCSC2)cc1	ZINC000878872090	994308707	/nfs/dbraw/zinc/30/87/07/994308707.db2.gz	ZQABJVIWFCMGQI-RTBURBONSA-N	1	0	361.511	1.731	20	30		FDEDRO
Cn1cc(C#N)c(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1	ZINC000878875822	994313546	/nfs/dbraw/zinc/31/35/46/994313546.db2.gz	MIHOTCNBOAKINS-UHFFFAOYSA-N	1	0	353.430	1.365	20	30		FDEDRO
C#CCN(C(=O)NCc1ccc(N2CCNC2=O)cc1)C1CC[NH+](C)CC1	ZINC000924004570	994317445	/nfs/dbraw/zinc/31/74/45/994317445.db2.gz	HPSODYMLLVPDMK-UHFFFAOYSA-N	1	0	369.469	1.455	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1nnc(C)s1)C2	ZINC000965140824	1015857056	/nfs/dbraw/zinc/85/70/56/1015857056.db2.gz	HZEUQBCGGJNUGW-WZRIJVRPSA-N	1	0	362.499	1.955	20	30		FDEDRO
C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CCOCCO	ZINC000924569109	994836013	/nfs/dbraw/zinc/83/60/13/994836013.db2.gz	GPXXETSYDYLIEA-OAHLLOKOSA-N	1	0	355.479	1.904	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH+]1CCN(Cc2ccc(O)c(Cl)c2)CC1	ZINC000879447077	994919348	/nfs/dbraw/zinc/91/93/48/994919348.db2.gz	BRVQYOVNGPDZCK-UHFFFAOYSA-N	1	0	364.877	1.925	20	30		FDEDRO
COc1cccc([C@@H]2CN(C[C@H](O)COc3ccccc3C#N)CC[NH2+]2)c1	ZINC000879523110	994975952	/nfs/dbraw/zinc/97/59/52/994975952.db2.gz	UCEUZMVCIUPVEY-ICSRJNTNSA-N	1	0	367.449	1.953	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(CC(=O)[C@H](C#N)c3nc4ccccc4c(=O)[nH]3)CC[C@H]21	ZINC000879578361	995037570	/nfs/dbraw/zinc/03/75/70/995037570.db2.gz	SMZIESWAPKMWOW-UKPHBRMFSA-N	1	0	365.437	1.538	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CC[NH+](C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000879591024	995057099	/nfs/dbraw/zinc/05/70/99/995057099.db2.gz	OVJFPTPZXWDUFK-HXUWFJFHSA-N	1	0	368.412	1.192	20	30		FDEDRO
C#CCNC(=O)CC[N@@H+]1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)OC(C)(C)C)C1	ZINC000879606105	995077328	/nfs/dbraw/zinc/07/73/28/995077328.db2.gz	QEWOFDDMKLUMHS-HOTGVXAUSA-N	1	0	374.485	1.307	20	30		FDEDRO
N#Cc1c(NC(=O)CC[N@H+]2CC[C@@H](O)[C@@H](O)C2)sc2c1CCCCC2	ZINC000879614579	995089096	/nfs/dbraw/zinc/08/90/96/995089096.db2.gz	ZCZWWKQMOSWGFB-CABCVRRESA-N	1	0	363.483	1.645	20	30		FDEDRO
C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12	ZINC000925174685	995373218	/nfs/dbraw/zinc/37/32/18/995373218.db2.gz	DNDLLFZTJSQPEB-HUUCEWRRSA-N	1	0	367.515	1.553	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)NCCCCCN2CC[NH2+]CC2)cc1	ZINC000925959670	995857746	/nfs/dbraw/zinc/85/77/46/995857746.db2.gz	ICDKYGOGHZBJTD-UHFFFAOYSA-N	1	0	373.501	1.799	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@]([NH3+])(CO)C2)cc1	ZINC000925978548	995872907	/nfs/dbraw/zinc/87/29/07/995872907.db2.gz	DOVUKLPJUCQLOZ-HXUWFJFHSA-N	1	0	372.469	1.818	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)Cc1ccccc1CC#N)C2	ZINC000926163646	995951296	/nfs/dbraw/zinc/95/12/96/995951296.db2.gz	CPUVEUCIOWFXSD-VURPSTOHSA-N	1	0	355.482	1.891	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1	ZINC000926306048	996043907	/nfs/dbraw/zinc/04/39/07/996043907.db2.gz	IELBSXCNMRKVSZ-QAPCUYQASA-N	1	0	356.470	1.740	20	30		FDEDRO
C=C1CCC(CNC(=O)N2CCO[C@H](CN3CC[NH+](C)CC3)C2)CC1	ZINC000926536587	996201850	/nfs/dbraw/zinc/20/18/50/996201850.db2.gz	ABBLQMKXNGACLP-GOSISDBHSA-N	1	0	350.507	1.391	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[C@H]2CC2N=NC(=O)N2C)CC1	ZINC000926571156	996217642	/nfs/dbraw/zinc/21/76/42/996217642.db2.gz	WPIZUOSRLKYBBN-HOTGVXAUSA-N	1	0	359.474	1.083	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)NC[C@@H]3C[C@@H]4COC[C@@H]4O3)CC2)cc1	ZINC000926640939	996248731	/nfs/dbraw/zinc/24/87/31/996248731.db2.gz	PYJKTJLPEGHBKD-QYZOEREBSA-N	1	0	370.453	1.189	20	30		FDEDRO
CCN(C(=O)C(=O)Nc1ccc(Br)c(C#N)c1)[C@@H]1CC[NH2+]C1	ZINC000887006999	996822397	/nfs/dbraw/zinc/82/23/97/996822397.db2.gz	BDOQWUJRNYCSPL-GFCCVEGCSA-N	1	0	365.231	1.470	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)c(F)c1	ZINC000887034893	996848601	/nfs/dbraw/zinc/84/86/01/996848601.db2.gz	BFFGQGOZVKJWNH-SNVBAGLBSA-N	1	0	357.307	1.246	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N2CCN(Cc3cccs3)CC2)CCOCC1	ZINC000887125832	996955427	/nfs/dbraw/zinc/95/54/27/996955427.db2.gz	LTGMRGWBWDEPJH-UHFFFAOYSA-N	1	0	361.511	1.554	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccc(OC)cc2OC)CC1	ZINC000264056890	997389783	/nfs/dbraw/zinc/38/97/83/997389783.db2.gz	BKFPNWJQXYZZLT-UHFFFAOYSA-N	1	0	364.446	1.729	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCc2cccc(C(N)=O)c2)cc1OC	ZINC000264131934	997408318	/nfs/dbraw/zinc/40/83/18/997408318.db2.gz	YEXQLJFOZGANEP-UHFFFAOYSA-N	1	0	356.426	1.450	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)NCCNC(=O)C1N=CC=CC1=O)c1ccccc1	ZINC000264734541	997586439	/nfs/dbraw/zinc/58/64/39/997586439.db2.gz	JVPOUPXRTAPWMC-DVEDPGPFSA-N	1	0	371.441	1.115	20	30		FDEDRO
COc1ccc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)c(OC(F)F)c1	ZINC000265107897	997700958	/nfs/dbraw/zinc/70/09/58/997700958.db2.gz	AQNFSDCLWHXNNT-NXVVXOECSA-N	1	0	367.352	1.913	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCc2cccc([N+](=O)[O-])c2)CC1	ZINC000104172026	998313661	/nfs/dbraw/zinc/31/36/61/998313661.db2.gz	MUKXBBVRJRMODV-UHFFFAOYSA-N	1	0	363.418	1.962	20	30		FDEDRO
Cc1c(C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)cnn1CCC#N	ZINC000889640770	998484260	/nfs/dbraw/zinc/48/42/60/998484260.db2.gz	CYGOCUUCLLPHHD-UHFFFAOYSA-N	1	0	372.517	1.736	20	30		FDEDRO
N#Cc1ccc(C[C@H](C#N)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cc1	ZINC000889756598	998604613	/nfs/dbraw/zinc/60/46/13/998604613.db2.gz	PCMYDGORRUXORA-QRVBRYPASA-N	1	0	352.438	1.298	20	30		FDEDRO
CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(C2CC2)c(C#N)c1	ZINC000890002465	998766102	/nfs/dbraw/zinc/76/61/02/998766102.db2.gz	PRNMFQKZUUKRPJ-QGZVFWFLSA-N	1	0	372.469	1.847	20	30		FDEDRO
C[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000890144549	998841717	/nfs/dbraw/zinc/84/17/17/998841717.db2.gz	FMGOSCYPWQIXFN-WMLDXEAASA-N	1	0	355.442	1.328	20	30		FDEDRO
C[C@H](NC(=O)C(=O)Nc1cccc(CC#N)n1)[C@H](c1ccccc1)[NH+](C)C	ZINC000890187258	998866028	/nfs/dbraw/zinc/86/60/28/998866028.db2.gz	DKNYITBWSPJPJM-KBXCAEBGSA-N	1	0	365.437	1.894	20	30		FDEDRO
C=CCCCNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000890238405	998876954	/nfs/dbraw/zinc/87/69/54/998876954.db2.gz	GIQNOISTXDAXHP-GOSISDBHSA-N	1	0	356.470	1.992	20	30		FDEDRO
C[NH+](C)C[C@H](NC(=O)C(=O)Nc1cccc(CC#N)n1)c1ccc(F)cc1	ZINC000890285623	998891399	/nfs/dbraw/zinc/89/13/99/998891399.db2.gz	ZRYDIGPMALBGKO-INIZCTEOSA-N	1	0	369.400	1.644	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NCC2(OCCO)CCC(F)(F)CC2)C1	ZINC000890361004	998913374	/nfs/dbraw/zinc/91/33/74/998913374.db2.gz	HZHZQUPKLFQAMF-HNNXBMFYSA-N	1	0	373.444	1.340	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)N2CCOC[C@@H]2c2ccc(OC)cc2)C1	ZINC000890361225	998913505	/nfs/dbraw/zinc/91/35/05/998913505.db2.gz	MGIHVABEKQWSLD-PKOBYXMFSA-N	1	0	357.454	1.876	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCCC1(F)F)C2	ZINC001110848442	999031583	/nfs/dbraw/zinc/03/15/83/999031583.db2.gz	QKAKRIWHXKCAJS-TUVASFSCSA-N	1	0	355.429	1.836	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Cc1ccccc1CC#N	ZINC000777381431	999050309	/nfs/dbraw/zinc/05/03/09/999050309.db2.gz	YEDMKWMQNDYMEF-GOSISDBHSA-N	1	0	356.470	1.354	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1COCCN1CCCC)C2	ZINC001110857530	999051997	/nfs/dbraw/zinc/05/19/97/999051997.db2.gz	GNXZQRGDEOTGKK-YRXWBPOGSA-N	1	0	365.518	1.411	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccccc2CC#N)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000777408981	999068867	/nfs/dbraw/zinc/06/88/67/999068867.db2.gz	HSGNLFWYHBLGFP-XLIONFOSSA-N	1	0	354.498	1.780	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1nc3ccccn3c1=O)C2	ZINC001110880781	999106633	/nfs/dbraw/zinc/10/66/33/999106633.db2.gz	QRVKJSWIRCZSLW-OAGGEKHMSA-N	1	0	355.442	1.184	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)CC1	ZINC000266638219	999207365	/nfs/dbraw/zinc/20/73/65/999207365.db2.gz	DRGRXNOPIBIWPZ-GOSISDBHSA-N	1	0	373.453	1.559	20	30		FDEDRO
CCCOc1ccc(CNC(=[NH2+])NC2CCN(C(=O)OCC)CC2)cn1	ZINC000267378184	999323962	/nfs/dbraw/zinc/32/39/62/999323962.db2.gz	AINYBSIQYMDVFN-UHFFFAOYSA-N	1	0	363.462	1.896	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000267495245	999349356	/nfs/dbraw/zinc/34/93/56/999349356.db2.gz	XLXUBFPKJGASAV-MOPGFXCFSA-N	1	0	370.497	1.976	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CO2	ZINC000965722295	1016309627	/nfs/dbraw/zinc/30/96/27/1016309627.db2.gz	XLBMHMYJJYPZSO-BZUAXINKSA-N	1	0	363.502	1.415	20	30		FDEDRO
N#Cc1ccc(CN2CC[NH+](C[C@@H](O)COC3CCOCC3)CC2)cc1	ZINC000268025125	999415856	/nfs/dbraw/zinc/41/58/56/999415856.db2.gz	FBOJWABXXRFLDA-LJQANCHMSA-N	1	0	359.470	1.232	20	30		FDEDRO
COc1cc(/C=C/C(=O)NC[C@H](O)C[NH+]2CCCCC2)ccc1OCC#N	ZINC000269651468	999471301	/nfs/dbraw/zinc/47/13/01/999471301.db2.gz	ZSGOMVKEGQQLOO-JKNJVXJCSA-N	1	0	373.453	1.574	20	30		FDEDRO
C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)Nc3ccc(F)cc3C#N)C2)CC1	ZINC000270092913	999511367	/nfs/dbraw/zinc/51/13/67/999511367.db2.gz	HHIIMVKGRUCRTC-AWEZNQCLSA-N	1	0	358.417	1.826	20	30		FDEDRO
C[NH+](C)CCn1cc(NC(=O)/C=C/c2ccc(OCC#N)cc2)ccc1=O	ZINC000270218315	999527410	/nfs/dbraw/zinc/52/74/10/999527410.db2.gz	MIKYEEFBDQGTCM-WEVVVXLNSA-N	1	0	366.421	1.964	20	30		FDEDRO
C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCc2ccc(C#N)cc21)C(C)(C)C	ZINC000270248398	999530859	/nfs/dbraw/zinc/53/08/59/999530859.db2.gz	WZMHHHYDFAEQBA-KRWDZBQOSA-N	1	0	356.470	1.930	20	30		FDEDRO
C#CCN(C)C(=O)C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1	ZINC000283497034	999756214	/nfs/dbraw/zinc/75/62/14/999756214.db2.gz	DGSMBXAUQCLCQQ-UHFFFAOYSA-N	1	0	356.470	1.556	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](Cn1ccccc1=O)c1ccccc1	ZINC000283748908	999761506	/nfs/dbraw/zinc/76/15/06/999761506.db2.gz	FXFXTQKNQFRVDN-DOTOQJQBSA-N	1	0	368.437	1.580	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1	ZINC000283879666	999763008	/nfs/dbraw/zinc/76/30/08/999763008.db2.gz	GVZOAKUNLHJAIY-SFHVURJKSA-N	1	0	358.486	1.172	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)[C@H](C)C1	ZINC000284134597	999777935	/nfs/dbraw/zinc/77/79/35/999777935.db2.gz	WDXMBNANSOHCLG-VKJFTORMSA-N	1	0	356.470	1.924	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N(C)Cc1cccnc1)C(C)C	ZINC000284192626	999778850	/nfs/dbraw/zinc/77/88/50/999778850.db2.gz	VQODLNMRVKEVLP-GOSISDBHSA-N	1	0	358.486	1.855	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C	ZINC000285076235	999900529	/nfs/dbraw/zinc/90/05/29/999900529.db2.gz	MCMBQRJNPPCHGA-OTWHNJEPSA-N	1	0	373.497	1.811	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)COCc2ccccc2)CC1	ZINC000285264010	999907268	/nfs/dbraw/zinc/90/72/68/999907268.db2.gz	ZVZRHSJAFQCXIR-QGZVFWFLSA-N	1	0	373.497	1.722	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cc(C#N)ccc2NC)CC1=O	ZINC000285868693	999921772	/nfs/dbraw/zinc/92/17/72/999921772.db2.gz	HWSHYTQXSDGLBX-JKSUJKDBSA-N	1	0	369.469	1.871	20	30		FDEDRO
C[NH+]1CCC(O)(CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1	ZINC000285996817	999929982	/nfs/dbraw/zinc/92/99/82/999929982.db2.gz	HHRRDTANWWFKGP-UHFFFAOYSA-N	1	0	374.460	1.487	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccccc2OCC2CC2)CC1	ZINC000286451305	999944518	/nfs/dbraw/zinc/94/45/18/999944518.db2.gz	HNGSBVJYNPETJT-UHFFFAOYSA-N	1	0	371.481	1.858	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)Oc2ccccc2F)CC1	ZINC000286439553	999944541	/nfs/dbraw/zinc/94/45/41/999944541.db2.gz	GYWONUMGLCXXRY-CQSZACIVSA-N	1	0	363.433	1.476	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(NCCC)cc2)CC1	ZINC000286756805	999949206	/nfs/dbraw/zinc/94/92/06/999949206.db2.gz	TWJOEFFDXXHXMU-UHFFFAOYSA-N	1	0	358.486	1.891	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2Cc3ccccc3OC[C@H]2C)CC1	ZINC000286806610	999951109	/nfs/dbraw/zinc/95/11/09/999951109.db2.gz	VHIACYMUNPZIPJ-MRXNPFEDSA-N	1	0	371.481	1.953	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2cc(C)cc(OC)c2)CC1	ZINC000286834616	999952374	/nfs/dbraw/zinc/95/23/74/999952374.db2.gz	XQCRJVKJPBUGMF-UHFFFAOYSA-N	1	0	359.470	1.777	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2c(C)c(C(F)(F)F)nn2C)CC1	ZINC000287510866	999958270	/nfs/dbraw/zinc/95/82/70/999958270.db2.gz	GZRHCZACPGIFCF-UHFFFAOYSA-N	1	0	373.379	1.452	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1	ZINC000287700577	999959258	/nfs/dbraw/zinc/95/92/58/999959258.db2.gz	DZSREOWTDPLJML-HNNXBMFYSA-N	1	0	354.454	1.672	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC1([NH+](C)C)CCC1	ZINC000287876779	999968769	/nfs/dbraw/zinc/96/87/69/999968769.db2.gz	MCBJKGVEGPYILM-UHFFFAOYSA-N	1	0	356.470	1.897	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H](CO)C[NH+]1CCCCC1	ZINC000288162949	999992482	/nfs/dbraw/zinc/99/24/82/999992482.db2.gz	CVOBWRZFSGTRFK-QGZVFWFLSA-N	1	0	372.469	1.630	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)NCC[N@@H+](C)CCCOC	ZINC000288178135	999993869	/nfs/dbraw/zinc/99/38/69/999993869.db2.gz	OCYMXOWIAOAXPR-UHFFFAOYSA-N	1	0	361.486	1.328	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000289054233	1000071671	/nfs/dbraw/zinc/07/16/71/1000071671.db2.gz	YAWHQLSXIYWLGJ-LJQANCHMSA-N	1	0	373.497	1.818	20	30		FDEDRO
C=CCc1cc(C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)cc(OC)c1O	ZINC000289545675	1000105386	/nfs/dbraw/zinc/10/53/86/1000105386.db2.gz	XDWPWYJAIFODHR-UHFFFAOYSA-N	1	0	359.426	1.646	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCCNC2=O)cc1	ZINC000291137966	1000170973	/nfs/dbraw/zinc/17/09/73/1000170973.db2.gz	CMBDMEROEIPBOY-UONOGXRCSA-N	1	0	373.457	1.657	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(C)nn(C)c3c2)CC1	ZINC000291257930	1000178115	/nfs/dbraw/zinc/17/81/15/1000178115.db2.gz	GACWIBZPNYFLJV-UHFFFAOYSA-N	1	0	369.469	1.977	20	30		FDEDRO
CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000291907958	1000199642	/nfs/dbraw/zinc/19/96/42/1000199642.db2.gz	MYBDLSTWOPNTOV-HOTGVXAUSA-N	1	0	373.505	1.689	20	30		FDEDRO
C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292316655	1000230224	/nfs/dbraw/zinc/23/02/24/1000230224.db2.gz	VPTLIQFGIAQQSW-GXTWGEPZSA-N	1	0	359.430	1.419	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)OCC[NH+]2CCCCC2)c1	ZINC000927569161	1000917078	/nfs/dbraw/zinc/91/70/78/1000917078.db2.gz	DBHUYJGNBRUOFC-UHFFFAOYSA-N	1	0	350.440	1.241	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)cc1	ZINC000927642635	1000961834	/nfs/dbraw/zinc/96/18/34/1000961834.db2.gz	RFVRBWFRIIMWIP-GOSISDBHSA-N	1	0	372.469	1.977	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N[C@@H](C)[C@H]3CCC[NH2+]C3)cc21	ZINC000927793983	1001052122	/nfs/dbraw/zinc/05/21/22/1001052122.db2.gz	KHPXJGLPTAJZDF-KBPBESRZSA-N	1	0	355.442	1.665	20	30		FDEDRO
C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000927815481	1001076260	/nfs/dbraw/zinc/07/62/60/1001076260.db2.gz	POANFHYXDLRXHZ-KOLCDFICSA-N	1	0	365.231	1.231	20	30		FDEDRO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C	ZINC000927818146	1001078818	/nfs/dbraw/zinc/07/88/18/1001078818.db2.gz	SCWANYQYRDPCTJ-MJBXVCDLSA-N	1	0	360.483	1.849	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCC2(CC1)CNC(=O)c1ccccc1O2	ZINC000928112095	1001390290	/nfs/dbraw/zinc/39/02/90/1001390290.db2.gz	SACJMAYWBYBIMC-UHFFFAOYSA-N	1	0	357.454	1.678	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cncc3nc(C(F)(F)F)n(C)c32)CC1	ZINC000928648314	1001606264	/nfs/dbraw/zinc/60/62/64/1001606264.db2.gz	KVEMJLZBXUAJST-UHFFFAOYSA-N	1	0	365.359	1.815	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2C[C@]23CCN(C(=O)OC(C)(C)C)C3)CC1	ZINC000928652941	1001609624	/nfs/dbraw/zinc/60/96/24/1001609624.db2.gz	RTBGYNUXHMAIGW-UZLBHIALSA-N	1	0	361.486	1.847	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)CC1	ZINC000928654698	1001611115	/nfs/dbraw/zinc/61/11/15/1001611115.db2.gz	AFZXNKMYGBENFQ-QGZVFWFLSA-N	1	0	354.454	1.148	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)CC1	ZINC000928657167	1001612607	/nfs/dbraw/zinc/61/26/07/1001612607.db2.gz	PVFYKSIVOUJKCB-IBGZPJMESA-N	1	0	353.466	1.895	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)CC1	ZINC000928657622	1001613292	/nfs/dbraw/zinc/61/32/92/1001613292.db2.gz	QICAGLQRYCWCCJ-UHFFFAOYSA-N	1	0	350.422	1.124	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CCc2c(C)nc3cc(=O)[nH]n3c2C)CC1	ZINC000928657929	1001613387	/nfs/dbraw/zinc/61/33/87/1001613387.db2.gz	FMNMVPYMTBZNHP-UHFFFAOYSA-N	1	0	355.442	1.198	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)CC1	ZINC000928657670	1001613397	/nfs/dbraw/zinc/61/33/97/1001613397.db2.gz	SJXFELDJKXMOGY-HNNXBMFYSA-N	1	0	361.392	1.532	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CCCNC(=O)c2ccccc2OCC)CC1	ZINC000928658831	1001614048	/nfs/dbraw/zinc/61/40/48/1001614048.db2.gz	UJWDDSQQSPDIMY-UHFFFAOYSA-N	1	0	371.481	1.809	20	30		FDEDRO
Cn1cc(OCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)cn1	ZINC001110950284	1001672606	/nfs/dbraw/zinc/67/26/06/1001672606.db2.gz	DLGOHIOERNYOCA-QRQLOZEOSA-N	1	0	365.437	1.592	20	30		FDEDRO
N#CC[C@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)C(F)(F)F	ZINC000928809083	1001673150	/nfs/dbraw/zinc/67/31/50/1001673150.db2.gz	LOOFQLYCHAOAPS-ZDUSSCGKSA-N	1	0	355.364	1.554	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2	ZINC001110959637	1001737675	/nfs/dbraw/zinc/73/76/75/1001737675.db2.gz	UULCGJGCWJQCIY-KURKYZTESA-N	1	0	364.534	1.474	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCS(N)(=O)=O)C2	ZINC001110962969	1001810868	/nfs/dbraw/zinc/81/08/68/1001810868.db2.gz	HYZLTKZIVBYKAM-OAGGEKHMSA-N	1	0	357.520	1.523	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCCc1ccccc1Cl)C1CC[NH+](C)CC1	ZINC000929317631	1001929358	/nfs/dbraw/zinc/92/93/58/1001929358.db2.gz	TUWZIQKAQUKJMQ-UHFFFAOYSA-N	1	0	361.873	1.555	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1	ZINC000965934966	1016556689	/nfs/dbraw/zinc/55/66/89/1016556689.db2.gz	DPXCGSXGMGOJPU-XDNAFOTISA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCCO[C@H]1CCCC[C@H]1C)C1CC[NH+](C)CC1	ZINC000929445011	1002064988	/nfs/dbraw/zinc/06/49/88/1002064988.db2.gz	ODBBPBFDOWFAIV-AEFFLSMTSA-N	1	0	363.502	1.254	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)CCc3ccoc3)C[C@H]2C)CC1	ZINC000948270758	1002216746	/nfs/dbraw/zinc/21/67/46/1002216746.db2.gz	FEXTVOCSOZSTGF-VQIMIIECSA-N	1	0	371.481	1.521	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2	ZINC000948459678	1002366159	/nfs/dbraw/zinc/36/61/59/1002366159.db2.gz	OCBCNXSNEWSXPI-RHSMWYFYSA-N	1	0	369.469	1.339	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccccc2CN2C(=O)CCC2=O)CC1	ZINC000929956953	1002650997	/nfs/dbraw/zinc/65/09/97/1002650997.db2.gz	VLYNCVPOUWOUJD-UHFFFAOYSA-N	1	0	368.437	1.555	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCC(C)(C)O2)CC1	ZINC000930007974	1002731321	/nfs/dbraw/zinc/73/13/21/1002731321.db2.gz	CGRXHBOKHJIYMT-MRXNPFEDSA-N	1	0	351.491	1.607	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCNc2ccc(C)cn2)CC1	ZINC000930009953	1002733329	/nfs/dbraw/zinc/73/33/29/1002733329.db2.gz	KJLBRVSCXJGOQP-UHFFFAOYSA-N	1	0	359.474	1.075	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCS(C)(=O)=O)CC1	ZINC001110982170	1002850778	/nfs/dbraw/zinc/85/07/78/1002850778.db2.gz	MGUBQZLCHSNJFW-ZACQAIPSSA-N	1	0	354.516	1.889	20	30		FDEDRO
C#CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1	ZINC000948958487	1002875344	/nfs/dbraw/zinc/87/53/44/1002875344.db2.gz	NGZAHLLTGUJRPR-AOIWGVFYSA-N	1	0	353.466	1.627	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H](C)c1cnn(C(C)C)c1)C1CC[NH+](C)CC1	ZINC000930159920	1002893099	/nfs/dbraw/zinc/89/30/99/1002893099.db2.gz	ZUFHWLHYNPVHLN-OAHLLOKOSA-N	1	0	359.474	1.197	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1)C1CC[NH+](C)CC1	ZINC000930265194	1002983231	/nfs/dbraw/zinc/98/32/31/1002983231.db2.gz	QJFNHYHBBHIDIR-WBVHZDCISA-N	1	0	363.502	1.252	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1	ZINC000949112876	1003001432	/nfs/dbraw/zinc/00/14/32/1003001432.db2.gz	CVUWTHQQQIPMBA-ZACQAIPSSA-N	1	0	351.491	1.273	20	30		FDEDRO
COC[C@H](C)NN=C(C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1	ZINC000777891355	1003033165	/nfs/dbraw/zinc/03/31/65/1003033165.db2.gz	OVXFDXAOIRTCEL-AWEZNQCLSA-N	1	0	370.519	1.265	20	30		FDEDRO
C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)CCO2	ZINC000949151519	1003041377	/nfs/dbraw/zinc/04/13/77/1003041377.db2.gz	QRXGVKBVQZPVCI-OKZBNKHCSA-N	1	0	364.486	1.307	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1	ZINC000949152358	1003041882	/nfs/dbraw/zinc/04/18/82/1003041882.db2.gz	HYPYLDWHDLELDJ-HHXXYDBFSA-N	1	0	369.465	1.227	20	30		FDEDRO
C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](O)COCCOC)CC1	ZINC001110987841	1003082056	/nfs/dbraw/zinc/08/20/56/1003082056.db2.gz	HVKFZALVSPCPFJ-TVFCKZIOSA-N	1	0	366.502	1.478	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(CC[NH+](Cc3ccccn3)CC2)C1	ZINC000949194443	1003082131	/nfs/dbraw/zinc/08/21/31/1003082131.db2.gz	WGLNSFJILATHAC-MOPGFXCFSA-N	1	0	371.481	1.866	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCOC2(CC[NH+](CCCO)CC2)C1	ZINC000949209659	1003103512	/nfs/dbraw/zinc/10/35/12/1003103512.db2.gz	NRQAIPOIXDXIPU-IRXDYDNUSA-N	1	0	352.475	1.043	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)NC1CCC(C)([NH+]2CCCC2)CC1)[C@H]1CCCO1	ZINC000930470151	1003174776	/nfs/dbraw/zinc/17/47/76/1003174776.db2.gz	MVRWZFLGSUUWQX-MUZJZNNISA-N	1	0	361.486	1.197	20	30		FDEDRO
COCCCS(=O)(=O)c1ccc(NC(=O)NCC#CC[NH+](C)C)cc1	ZINC000930630117	1003344578	/nfs/dbraw/zinc/34/45/78/1003344578.db2.gz	IFBABKGFDDRUIB-UHFFFAOYSA-N	1	0	367.471	1.183	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC1)C[N@H+](CCOC)CCO2	ZINC000949493567	1003397581	/nfs/dbraw/zinc/39/75/81/1003397581.db2.gz	WCZKJGYELYLNDW-IRXDYDNUSA-N	1	0	352.475	1.307	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CCCN(CC(F)(F)F)C1=O	ZINC000930704042	1003416295	/nfs/dbraw/zinc/41/62/95/1003416295.db2.gz	TTZAAWWAJZQPQH-CYBMUJFWSA-N	1	0	362.396	1.481	20	30		FDEDRO
COc1ccc(-n2cc(C(=O)N(CCC#N)CCC[NH+](C)C)nn2)cc1	ZINC000930705449	1003416512	/nfs/dbraw/zinc/41/65/12/1003416512.db2.gz	IUYPPDAJLPNFNM-UHFFFAOYSA-N	1	0	356.430	1.583	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](c3cc(=O)[nH]c(=O)[nH]3)C2)cc1	ZINC000930843067	1003571796	/nfs/dbraw/zinc/57/17/96/1003571796.db2.gz	PQTMTLLORVUPPD-AWEZNQCLSA-N	1	0	352.394	1.687	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@@H](O)C1	ZINC000966368020	1016793411	/nfs/dbraw/zinc/79/34/11/1016793411.db2.gz	KEWBSXSTKZSPSI-ZACQAIPSSA-N	1	0	363.502	1.294	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCN(C2CC2)C1=O	ZINC000930979668	1003736782	/nfs/dbraw/zinc/73/67/82/1003736782.db2.gz	NWPPJCXJDZNSAO-IBGZPJMESA-N	1	0	368.481	1.849	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCCC34CC4)C2)CC1	ZINC000949862160	1003757414	/nfs/dbraw/zinc/75/74/14/1003757414.db2.gz	MKAWIKYCVLYJNJ-NZSAHSFTSA-N	1	0	371.525	1.875	20	30		FDEDRO
C[C@@H]1[C@@H]([NH+](C)C)CCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000931037155	1003801184	/nfs/dbraw/zinc/80/11/84/1003801184.db2.gz	AGDKOSAFPZABDL-PBHICJAKSA-N	1	0	352.442	1.707	20	30		FDEDRO
C[NH+](C)C1(C)CCC(NC(=O)C(=O)NCc2cc(C#N)ccc2F)CC1	ZINC000931133575	1003915541	/nfs/dbraw/zinc/91/55/41/1003915541.db2.gz	SJVJJIFGIABGON-UHFFFAOYSA-N	1	0	360.433	1.693	20	30		FDEDRO
C#CC1(O)CCN(CC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)CC1	ZINC000931141914	1003920908	/nfs/dbraw/zinc/92/09/08/1003920908.db2.gz	FMCJZFYCSPCIKB-UHFFFAOYSA-N	1	0	370.497	1.227	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCC2(Nc3ccncc3C#N)CCOCC2)CC[N@@H+]1C	ZINC001111004939	1003921480	/nfs/dbraw/zinc/92/14/80/1003921480.db2.gz	RDYFWQJUCLLUAU-FUHWJXTLSA-N	1	0	371.485	1.183	20	30		FDEDRO
C#CC1(O)CC[NH+](C[C@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000931151884	1003926412	/nfs/dbraw/zinc/92/64/12/1003926412.db2.gz	YUVFGSWMFKBHGD-INIZCTEOSA-N	1	0	352.475	1.455	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000931192607	1003949541	/nfs/dbraw/zinc/94/95/41/1003949541.db2.gz	ZXUUEBWSCRWGNR-HOTGVXAUSA-N	1	0	351.491	1.153	20	30		FDEDRO
C[N@@H+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H]1CO	ZINC000931411997	1004135420	/nfs/dbraw/zinc/13/54/20/1004135420.db2.gz	VIGBJPXKVGPCBQ-CYBMUJFWSA-N	1	0	362.499	1.435	20	30		FDEDRO
Cc1sc(NC(=O)CN2CCC(O)(C[NH+](C)C)CC2)c(C#N)c1C	ZINC000931482829	1004199037	/nfs/dbraw/zinc/19/90/37/1004199037.db2.gz	PNYVZXQPHDTVKD-UHFFFAOYSA-N	1	0	350.488	1.564	20	30		FDEDRO
COc1cc(NC(=O)N2CCO[C@@](C)(C#N)C2)ccc1OCC[NH+](C)C	ZINC000931767482	1004481604	/nfs/dbraw/zinc/48/16/04/1004481604.db2.gz	SIYLLMXFYUCBEX-SFHVURJKSA-N	1	0	362.430	1.782	20	30		FDEDRO
CC[C@@H](CO)[NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2	ZINC000931770416	1004483699	/nfs/dbraw/zinc/48/36/99/1004483699.db2.gz	BZBOCLPIIOQIIM-LSDHHAIUSA-N	1	0	374.485	1.717	20	30		FDEDRO
Cn1ncc(CCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)n1	ZINC001111028311	1004853135	/nfs/dbraw/zinc/85/31/35/1004853135.db2.gz	SVJIVTHMGNBIDJ-QRVBRYPASA-N	1	0	364.453	1.541	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1C#N	ZINC000932475079	1004978096	/nfs/dbraw/zinc/97/80/96/1004978096.db2.gz	KNUHGAUJELJSPS-LJQANCHMSA-N	1	0	368.481	1.960	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH+]2CCN(c3cccc4[nH]c(=O)[nH]c43)CC2)CCC1	ZINC000932511866	1004995256	/nfs/dbraw/zinc/99/52/56/1004995256.db2.gz	VJVGFDYYIRBVCK-CQSZACIVSA-N	1	0	355.442	1.835	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](CCNC(=O)OC(C)(C)C)C1	ZINC000932703001	1005109935	/nfs/dbraw/zinc/10/99/35/1005109935.db2.gz	ZZCCCNWIRFIZPU-CYBMUJFWSA-N	1	0	354.451	1.235	20	30		FDEDRO
N#CC[C@@H](NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C(F)(F)F	ZINC000932911682	1005240008	/nfs/dbraw/zinc/24/00/08/1005240008.db2.gz	VIZKCXMBJGFKEW-HUUCEWRRSA-N	1	0	370.375	1.897	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)CCO3)cc1	ZINC000933057227	1005336814	/nfs/dbraw/zinc/33/68/14/1005336814.db2.gz	XZDFAAPVVRUVKQ-QZTJIDSGSA-N	1	0	360.454	1.498	20	30		FDEDRO
C#CCN(CC(=O)NCC(=O)N1CCCC1)[C@H]1CCCc2ccccc21	ZINC000933421166	1005555408	/nfs/dbraw/zinc/55/54/08/1005555408.db2.gz	DNZAGWLTWPMCSS-IBGZPJMESA-N	1	0	353.466	1.738	20	30		FDEDRO
Cc1noc(C[C@@H]2CCC[N@H+](C[C@@H](O)COc3ccccc3C#N)C2)n1	ZINC000933565805	1005580660	/nfs/dbraw/zinc/58/06/60/1005580660.db2.gz	QSRHBPSNYGFITD-DOTOQJQBSA-N	1	0	356.426	1.944	20	30		FDEDRO
CC(=O)N[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccc(C#N)s1)C2	ZINC001111575756	1005667369	/nfs/dbraw/zinc/66/73/69/1005667369.db2.gz	LSKWHUVQUGIQBZ-YEWDVWPNSA-N	1	0	360.483	1.615	20	30		FDEDRO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCN(C)CC[N@H+](C)CC2)cc1	ZINC000933995042	1005675163	/nfs/dbraw/zinc/67/51/63/1005675163.db2.gz	BTTGQUGUCWAZOV-IBGZPJMESA-N	1	0	371.529	1.809	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C2	ZINC001111067352	1005688449	/nfs/dbraw/zinc/68/84/49/1005688449.db2.gz	ILTYHQHNDAQTLU-FPCVCCKLSA-N	1	0	357.520	1.392	20	30		FDEDRO
C=CC[C@H]1CC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000934467181	1005749650	/nfs/dbraw/zinc/74/96/50/1005749650.db2.gz	PODJXSADKKBPNF-INIZCTEOSA-N	1	0	363.483	1.170	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](O)COC)cc1	ZINC001111112578	1006229829	/nfs/dbraw/zinc/22/98/29/1006229829.db2.gz	UWRNMZWBPLMTTL-JFRXWTBNSA-N	1	0	358.438	1.041	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)c1	ZINC000936045992	1006256753	/nfs/dbraw/zinc/25/67/53/1006256753.db2.gz	VMHPPOBFVQPKMF-OAHLLOKOSA-N	1	0	350.484	1.942	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCC(C)C)nn1	ZINC001111122703	1006306302	/nfs/dbraw/zinc/30/63/02/1006306302.db2.gz	ZJSNIHICASCFRW-NUJGCVRESA-N	1	0	361.490	1.862	20	30		FDEDRO
CC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1	ZINC001111156022	1006507049	/nfs/dbraw/zinc/50/70/49/1006507049.db2.gz	GOMBFMWKLLIYMU-KURKYZTESA-N	1	0	354.454	1.694	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCC[C@]3(CCN(C(=O)C#CC4CC4)C3)C2)CC[N@@H+]1C	ZINC000956558172	1006768397	/nfs/dbraw/zinc/76/83/97/1006768397.db2.gz	YHWLHOURGLURBO-SFGWALBWSA-N	1	0	371.525	1.971	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000956843820	1007200507	/nfs/dbraw/zinc/20/05/07/1007200507.db2.gz	XSNWCMHVXICBRY-FRQCXROJSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1	ZINC000955083262	1007234824	/nfs/dbraw/zinc/23/48/24/1007234824.db2.gz	QALCPLQLOXXFDD-ONIAQPFYSA-N	1	0	363.502	1.367	20	30		FDEDRO
C=C(Cl)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)C2	ZINC001095784098	1007393608	/nfs/dbraw/zinc/39/36/08/1007393608.db2.gz	BNHIDXKLFZOPIE-PXZCVYSUSA-N	1	0	351.878	1.324	20	30		FDEDRO
C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[C@H](CN3CCOCC3)O1)C2	ZINC001095801183	1007460416	/nfs/dbraw/zinc/46/04/16/1007460416.db2.gz	QTLDGFSRIOMAJR-GFEQUFNTSA-N	1	0	363.502	1.164	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1	ZINC000956126847	1007902524	/nfs/dbraw/zinc/90/25/24/1007902524.db2.gz	HSGMMFGGHMWYND-FHLIZLRMSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@](C)(NC(=O)C23CC[NH+](CC2)C3)C1	ZINC000957224770	1008013801	/nfs/dbraw/zinc/01/38/01/1008013801.db2.gz	VREUJJYXOHEESY-BXWFABGCSA-N	1	0	361.486	1.171	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1	ZINC000956377553	1008062870	/nfs/dbraw/zinc/06/28/70/1008062870.db2.gz	AKHJAKDMQXNQCR-ZACQAIPSSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1	ZINC000643494659	1008118242	/nfs/dbraw/zinc/11/82/42/1008118242.db2.gz	USIJFILNJZFLMG-WMZOPIPTSA-N	1	0	359.470	1.796	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)nc1	ZINC000957457847	1008309428	/nfs/dbraw/zinc/30/94/28/1008309428.db2.gz	FPEZYUCNUCFXCS-LZQZEXGQSA-N	1	0	368.481	1.512	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCCC[N@H+]3CC)C2)nc1	ZINC000957457861	1008309473	/nfs/dbraw/zinc/30/94/73/1008309473.db2.gz	FUSHEHJBEBAAHY-LZQZEXGQSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)cn1	ZINC000957465865	1008314205	/nfs/dbraw/zinc/31/42/05/1008314205.db2.gz	GVZHASIARDZCEX-DNVCBOLYSA-N	1	0	368.481	1.372	20	30		FDEDRO
C=CCOc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)cc1	ZINC000646195396	1008570256	/nfs/dbraw/zinc/57/02/56/1008570256.db2.gz	BIMMDHWWFDARNF-GOSISDBHSA-N	1	0	357.454	1.676	20	30		FDEDRO
C=CCn1cc(C(=O)NCc2ccc(CN3CC[NH+](CC)CC3)cc2)nn1	ZINC000648735321	1008575022	/nfs/dbraw/zinc/57/50/22/1008575022.db2.gz	KOIXIIOGTULBKO-UHFFFAOYSA-N	1	0	368.485	1.532	20	30		FDEDRO
C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@H]1C[NH2+]CCCO1	ZINC000648825668	1008657703	/nfs/dbraw/zinc/65/77/03/1008657703.db2.gz	ARMYSFWNEWPLIT-MRXNPFEDSA-N	1	0	356.426	1.545	20	30		FDEDRO
CC[N@@H+]1CCN(CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)[C@H](C)C1	ZINC000796316166	1008673907	/nfs/dbraw/zinc/67/39/07/1008673907.db2.gz	MABMVDZBDJCLIZ-UKRRQHHQSA-N	1	0	353.426	1.538	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000646416144	1008747285	/nfs/dbraw/zinc/74/72/85/1008747285.db2.gz	WRLZEFOIGUEQMR-ZACQAIPSSA-N	1	0	353.507	1.661	20	30		FDEDRO
C=CCOc1cc(OC)ccc1C(=O)N1CC(C[NH+]2CCN(C)CC2)C1	ZINC000646461398	1008795156	/nfs/dbraw/zinc/79/51/56/1008795156.db2.gz	VEBKBRUOLSTCOE-UHFFFAOYSA-N	1	0	359.470	1.579	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)c1	ZINC000958703867	1008979250	/nfs/dbraw/zinc/97/92/50/1008979250.db2.gz	SCWQRFJIUZFPTK-CRAIPNDOSA-N	1	0	366.465	1.268	20	30		FDEDRO
C=C(Br)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC000959963696	1009213978	/nfs/dbraw/zinc/21/39/78/1009213978.db2.gz	DXIUCFUHJWBKAC-VQJWOFKYSA-N	1	0	356.308	1.672	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC3(F)F)C[C@H]2C)CC1	ZINC000950551530	1009305915	/nfs/dbraw/zinc/30/59/15/1009305915.db2.gz	UMBSFRGDTFZIOE-FVQBIDKESA-N	1	0	367.440	1.340	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)OC3(CCCC3)C2)CC1	ZINC000647028703	1009402778	/nfs/dbraw/zinc/40/27/78/1009402778.db2.gz	CXUGVLCCLXBAOH-MRXNPFEDSA-N	1	0	363.502	1.703	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc[nH]c2CC)C1	ZINC000950648616	1009469376	/nfs/dbraw/zinc/46/93/76/1009469376.db2.gz	UTPUCNMFLXJXRX-OLMNPRSZSA-N	1	0	356.470	1.251	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1cc2n(n1)CCC2	ZINC000960140204	1009585874	/nfs/dbraw/zinc/58/58/74/1009585874.db2.gz	URFXLGFMPQURCN-OTWHNJEPSA-N	1	0	358.486	1.891	20	30		FDEDRO
CC[C@@H]1CCO[C@@H]1C(=O)NCC[NH+]1CCC(Nc2ncccc2C#N)CC1	ZINC001111323697	1009614907	/nfs/dbraw/zinc/61/49/07/1009614907.db2.gz	QRXWAQYMJABGJI-QAPCUYQASA-N	1	0	371.485	1.761	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN(C)C(=O)CCN(C)c2cc[nH+]cc2)c1	ZINC000779480375	1009623822	/nfs/dbraw/zinc/62/38/22/1009623822.db2.gz	SYXRRSBLXQDNAW-UHFFFAOYSA-N	1	0	350.422	1.986	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCCOc1cccc2ccccc21	ZINC000303888314	1009675672	/nfs/dbraw/zinc/67/56/72/1009675672.db2.gz	OWFRWFLAHOSGPD-UHFFFAOYSA-N	1	0	356.470	1.845	20	30		FDEDRO
N#Cc1cncc(NC2CC[NH+](CCNC(=O)[C@]34C[C@H]3CCC4)CC2)n1	ZINC001111331539	1009679458	/nfs/dbraw/zinc/67/94/58/1009679458.db2.gz	MQIAGLHUTGTVPI-AUUYWEPGSA-N	1	0	354.458	1.531	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccc(C(=O)NC)cc2)CC1	ZINC000303906830	1009688544	/nfs/dbraw/zinc/68/85/44/1009688544.db2.gz	WLGSSIBCNOOLEL-UHFFFAOYSA-N	1	0	361.446	1.071	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C(F)(F)F)cnn1C)C2	ZINC001111336995	1009994595	/nfs/dbraw/zinc/99/45/95/1009994595.db2.gz	GPTYVFLTHHZDBQ-BNOWGMLFSA-N	1	0	372.391	1.977	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CS(=O)(=O)N(C)C)C2	ZINC001111337302	1010000190	/nfs/dbraw/zinc/00/01/90/1010000190.db2.gz	WERWRRGGZGJYNW-OAGGEKHMSA-N	1	0	357.520	1.346	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC34CCCC4)C[C@H]2C)CC1	ZINC000959632034	1010237234	/nfs/dbraw/zinc/23/72/34/1010237234.db2.gz	UHNBGZIJHXCIKY-NZSAHSFTSA-N	1	0	371.525	1.875	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000950993742	1010258504	/nfs/dbraw/zinc/25/85/04/1010258504.db2.gz	JKMXKSGWIWQZNR-YQQAZPJKSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C	ZINC000959656866	1010387763	/nfs/dbraw/zinc/38/77/63/1010387763.db2.gz	TWFAKPOWYRHLMG-GVDBMIGSSA-N	1	0	358.486	1.593	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1	ZINC000951084871	1010434844	/nfs/dbraw/zinc/43/48/44/1010434844.db2.gz	RXVHVTSUSRMVME-BBWFWOEESA-N	1	0	354.410	1.256	20	30		FDEDRO
C[NH+]=C(NCCc1ccc(OCC(C)C)cc1)NCCN1CCOCC1	ZINC000304730324	1010475287	/nfs/dbraw/zinc/47/52/87/1010475287.db2.gz	QWRRLSODJYNYIJ-UHFFFAOYSA-N	1	0	362.518	1.761	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCCCOC[C@@H]2CCOC2)CC1	ZINC000304756264	1010477877	/nfs/dbraw/zinc/47/78/77/1010477877.db2.gz	NNQGFUZECBMRKL-HNNXBMFYSA-N	1	0	370.494	1.297	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2	ZINC000951193519	1010558438	/nfs/dbraw/zinc/55/84/38/1010558438.db2.gz	BDHKHDZKIIPICG-IKGGRYGDSA-N	1	0	361.486	1.313	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2	ZINC000951195012	1010560254	/nfs/dbraw/zinc/56/02/54/1010560254.db2.gz	OWISEUSTHGQFRE-ZACQAIPSSA-N	1	0	361.486	1.313	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ccc(C(F)(F)F)n1)C2	ZINC001111369662	1010796935	/nfs/dbraw/zinc/79/69/35/1010796935.db2.gz	JUZIKTYZEDHJPH-MCIONIFRSA-N	1	0	370.375	1.273	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)nc1	ZINC000951377989	1010800711	/nfs/dbraw/zinc/80/07/11/1010800711.db2.gz	LFJDORRLASZYRU-XYJFISCASA-N	1	0	354.454	1.124	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nccnc1C(N)=O)C2	ZINC001111376591	1010873024	/nfs/dbraw/zinc/87/30/24/1010873024.db2.gz	SZECWZYLDKIEGA-KFWWJZLASA-N	1	0	359.474	1.881	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1occc1C[NH+](C)C	ZINC000952174754	1011369969	/nfs/dbraw/zinc/36/99/69/1011369969.db2.gz	SEYIIULNIKOPHU-XHSDSOJGSA-N	1	0	361.442	1.263	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3cc(F)c[nH]3)C[C@H]2C)CC1	ZINC000952443211	1011750353	/nfs/dbraw/zinc/75/03/53/1011750353.db2.gz	AJPALCVKUDTEGK-CXAGYDPISA-N	1	0	360.433	1.076	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H]2CCNC(=O)CC2)cc1	ZINC001095854076	1011890237	/nfs/dbraw/zinc/89/02/37/1011890237.db2.gz	KISCGTGXIHDECV-RNQOJCNYSA-N	1	0	365.477	1.919	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](O)Cn2cccn2)cc1	ZINC001095854532	1011897100	/nfs/dbraw/zinc/89/71/00/1011897100.db2.gz	HWWMSHQEBLYTAW-FYQPLNBISA-N	1	0	364.449	1.261	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC000963150850	1011918328	/nfs/dbraw/zinc/91/83/28/1011918328.db2.gz	GPVCHMUSWQUVAO-MOIQIXESSA-N	1	0	369.469	1.432	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](C)C	ZINC000952804741	1012051252	/nfs/dbraw/zinc/05/12/52/1012051252.db2.gz	MRWMENHKQDZFHI-WKULXVSPSA-N	1	0	363.502	1.510	20	30		FDEDRO
CN(C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C1CCC(NCC#N)CC1	ZINC000963337890	1012165848	/nfs/dbraw/zinc/16/58/48/1012165848.db2.gz	KXWVPVQRWFEFLS-GMNCBBECSA-N	1	0	362.518	1.616	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1nc3ncccn3n1)C2	ZINC001111405941	1012177634	/nfs/dbraw/zinc/17/76/34/1012177634.db2.gz	LXYRSNCHGQCQFO-JJXSEGSLSA-N	1	0	354.458	1.743	20	30		FDEDRO
Cc1cc(C#N)nc(N2CCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1	ZINC001066797500	1012389122	/nfs/dbraw/zinc/38/91/22/1012389122.db2.gz	GLNBDYQANUAZBV-HLLBOEOZSA-N	1	0	356.474	1.472	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1nnc(C)[nH]1)C2	ZINC000963816227	1012732911	/nfs/dbraw/zinc/73/29/11/1012732911.db2.gz	ULOLQRBLJDVSFJ-NFIWUILVSA-N	1	0	359.474	1.611	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc(C(=O)NC)c3)C[C@H]21	ZINC000961833806	1012908007	/nfs/dbraw/zinc/90/80/07/1012908007.db2.gz	NGURDOHYNCNIPG-GFEQUFNTSA-N	1	0	369.465	1.184	20	30		FDEDRO
C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3OCCO[C@@H]3c3ccccc3)C2)C1	ZINC000963961357	1013013605	/nfs/dbraw/zinc/01/36/05/1013013605.db2.gz	PGSUAPSBGNTWNX-JGQKGBITSA-N	1	0	354.450	1.793	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1NC(=O)CSc1nc(N)cc(N)[nH+]1	ZINC000506612948	538900695	/nfs/dbraw/zinc/90/06/95/538900695.db2.gz	PMXSYWKRJIKPFJ-UHFFFAOYSA-N	1	0	366.410	1.429	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21	ZINC000190952128	178032775	/nfs/dbraw/zinc/03/27/75/178032775.db2.gz	WAIRJMSNTSFZRL-WBVHZDCISA-N	1	0	370.453	1.838	20	30		FDEDRO
C[NH+]1CCC(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000192343936	178110823	/nfs/dbraw/zinc/11/08/23/178110823.db2.gz	ZUJNLCXDRHBYJT-QGZVFWFLSA-N	1	0	355.442	1.053	20	30		FDEDRO
COc1cc(CNC(=O)c2ccnc(C#N)c2)ccc1OCC[NH+](C)C	ZINC000193052737	178144308	/nfs/dbraw/zinc/14/43/08/178144308.db2.gz	QRRKYAFXORNGHR-UHFFFAOYSA-N	1	0	354.410	1.832	20	30		FDEDRO
Cc1ccc(/C=c2/sc(=C(C#N)C#N)n(C3CC[NH+](C)CC3)c2=O)s1	ZINC000194331240	178207406	/nfs/dbraw/zinc/20/74/06/178207406.db2.gz	FZRIYQNDOPVZMR-CXUHLZMHSA-N	1	0	370.503	1.573	20	30		FDEDRO
C=CCn1c(-c2ccoc2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1	ZINC000508831554	538937722	/nfs/dbraw/zinc/93/77/22/538937722.db2.gz	DSCWDSPQIKCWDR-UHFFFAOYSA-N	1	0	372.473	1.715	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)NC2(C[NH3+])CCCC2)c1	ZINC000238021648	178343444	/nfs/dbraw/zinc/34/34/44/178343444.db2.gz	JTBAONBXPLIOMK-UHFFFAOYSA-N	1	0	358.261	1.871	20	30		FDEDRO
N#Cc1ccc(NC(=O)CN2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1	ZINC000245929592	178391451	/nfs/dbraw/zinc/39/14/51/178391451.db2.gz	YFRACDHXQFPUDY-YJBOKZPZSA-N	1	0	352.438	1.972	20	30		FDEDRO
C[C@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(C#N)cc1F	ZINC000512631193	538977631	/nfs/dbraw/zinc/97/76/31/538977631.db2.gz	PUVOUXUFFOGTRW-HOCLYGCPSA-N	1	0	360.433	1.281	20	30		FDEDRO
O=C(CC[NH+]1CCN(c2ccccn2)CC1)NCC#Cc1cccc(F)c1	ZINC000513913682	539008485	/nfs/dbraw/zinc/00/84/85/539008485.db2.gz	UBQMVDCAJYNWFE-UHFFFAOYSA-N	1	0	366.440	1.901	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1	ZINC000517583263	539372075	/nfs/dbraw/zinc/37/20/75/539372075.db2.gz	WKKOWBBSJSCODO-IRXDYDNUSA-N	1	0	363.483	1.508	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C2CCN(S(=O)(=O)CC)CC2)C1=O	ZINC000518607713	539437576	/nfs/dbraw/zinc/43/75/76/539437576.db2.gz	LKPAFLIVXYXWHA-GDBMZVCRSA-N	1	0	357.520	1.155	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N[C@H](CO)C[NH+]2CCCCC2)c(OC)c1	ZINC000519477328	539487295	/nfs/dbraw/zinc/48/72/95/539487295.db2.gz	QTNCLAIQSIEPOK-KRWDZBQOSA-N	1	0	362.470	1.766	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1	ZINC000519857054	539502614	/nfs/dbraw/zinc/50/26/14/539502614.db2.gz	OTNMOAKYVJXHFP-UHFFFAOYSA-N	1	0	368.485	1.659	20	30		FDEDRO
Cc1ccccc1C[C@H](CO)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000521874894	539519365	/nfs/dbraw/zinc/51/93/65/539519365.db2.gz	GVYRJFBQCRTQRK-QGZVFWFLSA-N	1	0	359.451	1.229	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)CCCOc2ccc(C#N)cc2OC)C1	ZINC000264440120	179108727	/nfs/dbraw/zinc/10/87/27/179108727.db2.gz	BPWTYTOMGHQPKN-MRXNPFEDSA-N	1	0	361.442	1.563	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2CCOC)c1	ZINC000522772932	539580472	/nfs/dbraw/zinc/58/04/72/539580472.db2.gz	FNNVPXJNVHOLQW-INIZCTEOSA-N	1	0	361.442	1.417	20	30		FDEDRO
CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1OC)[NH+](C)C	ZINC000265407452	179368082	/nfs/dbraw/zinc/36/80/82/179368082.db2.gz	RKEGFNXXLXOSOD-MRXNPFEDSA-N	1	0	360.458	1.988	20	30		FDEDRO
CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000528049774	539728941	/nfs/dbraw/zinc/72/89/41/539728941.db2.gz	TXHZWKUSWGZTAM-CQSZACIVSA-N	1	0	372.288	1.939	20	30		FDEDRO
CCO[C@@H]1C[C@@H](O)C12CC[NH+](C[C@@H](O)COc1ccccc1C#N)CC2	ZINC000528390172	539755014	/nfs/dbraw/zinc/75/50/14/539755014.db2.gz	WFFSTEQTMGAIDW-BHIYHBOVSA-N	1	0	360.454	1.550	20	30		FDEDRO
CC(C)[N@H+]1C[C@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)[C@@H](C)C1	ZINC000268272831	180041643	/nfs/dbraw/zinc/04/16/43/180041643.db2.gz	UPPMRNUTFGFZLQ-RDJZCZTQSA-N	1	0	356.474	1.514	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1	ZINC000528469630	539760031	/nfs/dbraw/zinc/76/00/31/539760031.db2.gz	ASEGIYUKWIJGBF-GUDVDZBRSA-N	1	0	359.470	1.531	20	30		FDEDRO
C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)CCSC1	ZINC000269059697	180207226	/nfs/dbraw/zinc/20/72/26/180207226.db2.gz	AYFUXCLTROVMIU-MRXNPFEDSA-N	1	0	366.874	1.704	20	30		FDEDRO
Cc1oc(NC(=O)CN2CCC(C)([NH+]3CCOCC3)CC2)c(C#N)c1C	ZINC000528730100	539781259	/nfs/dbraw/zinc/78/12/59/539781259.db2.gz	VBJDVZZAVNLIJE-UHFFFAOYSA-N	1	0	360.458	1.893	20	30		FDEDRO
C[C@H]1C[N@H+](CCOc2ccc(C#N)cc2)CCN1c1nccn2cnnc12	ZINC000269645126	180349171	/nfs/dbraw/zinc/34/91/71/180349171.db2.gz	KSJDGWHZCYKVSI-HNNXBMFYSA-N	1	0	363.425	1.585	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCCN(CC(F)(F)F)C1=O	ZINC000530231761	539915586	/nfs/dbraw/zinc/91/55/86/539915586.db2.gz	MAUVUYSMISAOOJ-KBPBESRZSA-N	1	0	371.359	1.441	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCN(Cc2ccccc2)C1=O	ZINC000530232327	539915817	/nfs/dbraw/zinc/91/58/17/539915817.db2.gz	YBUXFTCOBCBXMX-RTBURBONSA-N	1	0	365.433	1.689	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)c1C#N	ZINC000530513781	539989114	/nfs/dbraw/zinc/98/91/14/539989114.db2.gz	RYECEONKQCXVDI-IRXDYDNUSA-N	1	0	371.489	1.059	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1	ZINC000268274877	674086519	/nfs/dbraw/zinc/08/65/19/674086519.db2.gz	VWRVCZQEEDIUOT-GUYCJALGSA-N	1	0	363.483	1.363	20	30		FDEDRO
C[NH+](C)CC1(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CCCC1	ZINC000274190301	181042520	/nfs/dbraw/zinc/04/25/20/181042520.db2.gz	KPJJQRJDHJPRFJ-UHFFFAOYSA-N	1	0	370.501	1.907	20	30		FDEDRO
C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1	ZINC000530806309	540045658	/nfs/dbraw/zinc/04/56/58/540045658.db2.gz	KONPOPQDRATACJ-NSHDSACASA-N	1	0	366.368	1.556	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cc(CC#N)ccn2)CC1=O	ZINC000532434306	540162926	/nfs/dbraw/zinc/16/29/26/540162926.db2.gz	VSLXMXBUEQNKHG-JKSUJKDBSA-N	1	0	355.442	1.419	20	30		FDEDRO
CS[C@H]1CN(CC(=O)NCc2ccc(C#N)cc2)C[C@@H]1[NH+]1CCCC1	ZINC000275074693	181231423	/nfs/dbraw/zinc/23/14/23/181231423.db2.gz	LWYJZQBHECBTEB-ROUUACIJSA-N	1	0	358.511	1.686	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)n(CCC#N)n1	ZINC000533316361	540231086	/nfs/dbraw/zinc/23/10/86/540231086.db2.gz	MGCUPKYIFKPOAE-HNNXBMFYSA-N	1	0	360.462	1.138	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)n(CCC#N)n1	ZINC000533320243	540231473	/nfs/dbraw/zinc/23/14/73/540231473.db2.gz	SDMOZOAELKSDMZ-LZWOXQAQSA-N	1	0	374.489	1.526	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)n(CCC#N)n1	ZINC000533457972	540250720	/nfs/dbraw/zinc/25/07/20/540250720.db2.gz	WBGPHKVGIQGTEJ-GASCZTMLSA-N	1	0	374.489	1.528	20	30		FDEDRO
CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)C1	ZINC000533460168	540250903	/nfs/dbraw/zinc/25/09/03/540250903.db2.gz	FOMTZPTUERYVML-OAHLLOKOSA-N	1	0	360.462	1.234	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(Cc2cccc(C(=O)OC)c2C#N)CC1	ZINC000534471420	540371717	/nfs/dbraw/zinc/37/17/17/540371717.db2.gz	KQZANGXQNXQXSI-UHFFFAOYSA-N	1	0	372.469	1.331	20	30		FDEDRO
C[C@H]1CN(c2c(C#N)nnc3ccccc32)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000535006524	540437655	/nfs/dbraw/zinc/43/76/55/540437655.db2.gz	TVEAMMIDTURVJL-KXBFYZLASA-N	1	0	350.470	1.964	20	30		FDEDRO
COC(=O)C1CC[NH+](CCCNC(=O)[C@@H](C)Oc2ccccc2C#N)CC1	ZINC000535517059	540479639	/nfs/dbraw/zinc/47/96/39/540479639.db2.gz	VEQLZBCKCAFGAY-OAHLLOKOSA-N	1	0	373.453	1.717	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1cnc(N2CCCC2)nc1	ZINC000535820144	540516072	/nfs/dbraw/zinc/51/60/72/540516072.db2.gz	CVWIWWPMKASFIO-OAHLLOKOSA-N	1	0	364.457	1.449	20	30		FDEDRO
COc1cc([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)ccc1OCCO	ZINC000537078270	540681797	/nfs/dbraw/zinc/68/17/97/540681797.db2.gz	ZBJVSPFKRIXRCU-IFXJQAMLSA-N	1	0	363.458	1.771	20	30		FDEDRO
C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1ccc(C#N)c(F)c1	ZINC000537407529	540727081	/nfs/dbraw/zinc/72/70/81/540727081.db2.gz	QDGIJRSMHQSWSH-LLVKDONJSA-N	1	0	352.391	1.456	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CCC1	ZINC000275388231	181306611	/nfs/dbraw/zinc/30/66/11/181306611.db2.gz	CHGDQVQCPFYARL-UHFFFAOYSA-N	1	0	355.486	1.870	20	30		FDEDRO
CN(CCC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1	ZINC000538315240	540840931	/nfs/dbraw/zinc/84/09/31/540840931.db2.gz	FUFZZZILMBJHPM-UHFFFAOYSA-N	1	0	351.472	1.788	20	30		FDEDRO
COC(=O)CC[N@@H+]1CCN(Cc2cccc(C(=O)OC)c2C#N)[C@H](C)C1	ZINC000538280547	540836698	/nfs/dbraw/zinc/83/66/98/540836698.db2.gz	ZALBCNLOCLBEKO-CQSZACIVSA-N	1	0	359.426	1.414	20	30		FDEDRO
N#CC1(NC(=O)COC[C@@H]2CCCO2)CC[NH+](Cc2ccccc2)CC1	ZINC000538693851	540881134	/nfs/dbraw/zinc/88/11/34/540881134.db2.gz	ZBYIJKVEYJNWNT-SFHVURJKSA-N	1	0	357.454	1.857	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H]2Cc2ccccc2)CC1	ZINC000540350028	541049377	/nfs/dbraw/zinc/04/93/77/541049377.db2.gz	HGDGWZJIUWMESD-WOJBJXKFSA-N	1	0	354.498	1.996	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@H]4[C@H]3CCCN4CCO)C2=O)cc1	ZINC000934263991	781941595	/nfs/dbraw/zinc/94/15/95/781941595.db2.gz	LGANVAXTSJSHRG-OTWHNJEPSA-N	1	0	354.454	1.195	20	30		FDEDRO
COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[NH+]1CCC(CC#N)CC1	ZINC000541025198	541138372	/nfs/dbraw/zinc/13/83/72/541138372.db2.gz	VNFMGKOWFUIGCA-GOSISDBHSA-N	1	0	355.438	1.739	20	30		FDEDRO
CC[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1c(C)nn(C)c1C	ZINC000541597900	541233876	/nfs/dbraw/zinc/23/38/76/541233876.db2.gz	PCTGEPFWTXPQFM-QZTJIDSGSA-N	1	0	374.533	1.770	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)NCCCC#N)CC1	ZINC000542448061	541406648	/nfs/dbraw/zinc/40/66/48/541406648.db2.gz	JCVWABSLSFKAHH-UHFFFAOYSA-N	1	0	351.495	1.560	20	30		FDEDRO
CS(=O)(=O)CCOCCNC(=[NH2+])Nc1ccccc1OC(F)(F)F	ZINC000269590643	674110370	/nfs/dbraw/zinc/11/03/70/674110370.db2.gz	DKEQAEUADSQVHK-UHFFFAOYSA-N	1	0	369.365	1.373	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+]C[C@@H](Cc3ccc(F)cc3)C(N)=O)n2c1	ZINC000542782152	541468970	/nfs/dbraw/zinc/46/89/70/541468970.db2.gz	YAKKOCZGNXHSRN-OAHLLOKOSA-N	1	0	351.385	1.779	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)N3CCC(CC#N)CC3)cn2)CC1	ZINC000542844501	541486655	/nfs/dbraw/zinc/48/66/55/541486655.db2.gz	JRRYGPUVHAEDGZ-UHFFFAOYSA-N	1	0	356.474	1.669	20	30		FDEDRO
CC[C@@H]1C[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC(=O)N1	ZINC000543550930	541609545	/nfs/dbraw/zinc/60/95/45/541609545.db2.gz	FSUXPXJEJMHYQL-QZTJIDSGSA-N	1	0	356.470	1.753	20	30		FDEDRO
C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)C1	ZINC000545154915	541883719	/nfs/dbraw/zinc/88/37/19/541883719.db2.gz	BCZXDAAWANQUDT-NRFANRHFSA-N	1	0	365.433	1.934	20	30		FDEDRO
C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)NCc2cccc(C#N)c2)C1	ZINC000283510902	182202478	/nfs/dbraw/zinc/20/24/78/182202478.db2.gz	BPNWHIXRCHVHDT-INIZCTEOSA-N	1	0	356.470	1.803	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCC[N@H+](C)CCOC	ZINC000283849472	182292331	/nfs/dbraw/zinc/29/23/31/182292331.db2.gz	DJSVGSRLEHKUOO-UHFFFAOYSA-N	1	0	374.485	1.381	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1	ZINC000545296466	541928743	/nfs/dbraw/zinc/92/87/43/541928743.db2.gz	WCMBCAKOBODETF-GJZGRUSLSA-N	1	0	372.469	1.990	20	30		FDEDRO
Cn1cc(C(C)(C)[NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cn1	ZINC000546000308	542070623	/nfs/dbraw/zinc/07/06/23/542070623.db2.gz	CMQIZYHRASCYCB-UHFFFAOYSA-N	1	0	363.425	1.941	20	30		FDEDRO
CC[NH+](CC)[C@@H](CNC(=O)NCCn1cnc(C#N)n1)c1ccsc1	ZINC000286572480	183100751	/nfs/dbraw/zinc/10/07/51/183100751.db2.gz	QPGDRZULGVQXIV-AWEZNQCLSA-N	1	0	361.475	1.594	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C	ZINC000546612707	542182588	/nfs/dbraw/zinc/18/25/88/542182588.db2.gz	QKXFDMWBOHQNOB-ZBFHGGJFSA-N	1	0	365.441	2.148	20	30		FDEDRO
C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)C1	ZINC000286898862	183169306	/nfs/dbraw/zinc/16/93/06/183169306.db2.gz	OAMAQTUYUHQHCR-LLVKDONJSA-N	1	0	372.288	1.893	20	30		FDEDRO
CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2OC)C1	ZINC000546711063	542207234	/nfs/dbraw/zinc/20/72/34/542207234.db2.gz	GAXQMRPZRJIVRN-OAHLLOKOSA-N	1	0	358.442	1.696	20	30		FDEDRO
Cn1cc(C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c(-c2ccc(C#N)cc2)n1	ZINC000295031992	184028464	/nfs/dbraw/zinc/02/84/64/184028464.db2.gz	DFFZLVPKCTWEER-MOPGFXCFSA-N	1	0	351.454	1.864	20	30		FDEDRO
CC[C@@H](CNS(C)(=O)=O)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000295105888	184034109	/nfs/dbraw/zinc/03/41/09/184034109.db2.gz	UFKLTESTLLZNLY-KRWDZBQOSA-N	1	0	364.515	1.440	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+][C@H]3CCCN(CCCO)C3)CC2)cc1	ZINC000295187110	184043369	/nfs/dbraw/zinc/04/33/69/184043369.db2.gz	WTIKTZXJCDRGCM-NRFANRHFSA-N	1	0	356.514	1.959	20	30		FDEDRO
Cc1nsc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1C#N	ZINC000297364086	184262559	/nfs/dbraw/zinc/26/25/59/184262559.db2.gz	HBRAKJQXTQAKGG-CYBMUJFWSA-N	1	0	362.459	1.094	20	30		FDEDRO
C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N	ZINC000297429328	184270968	/nfs/dbraw/zinc/27/09/68/184270968.db2.gz	PGFNPQLBANZOSS-KRWDZBQOSA-N	1	0	366.487	1.285	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1	ZINC000297967049	184365683	/nfs/dbraw/zinc/36/56/83/184365683.db2.gz	SYACKGWDFKAQEW-ZWKOTPCHSA-N	1	0	354.454	1.459	20	30		FDEDRO
C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1	ZINC000547289740	542301300	/nfs/dbraw/zinc/30/13/00/542301300.db2.gz	HCJFMYBAQVKHJF-QGZVFWFLSA-N	1	0	374.832	1.585	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1	ZINC000547414937	542335494	/nfs/dbraw/zinc/33/54/94/542335494.db2.gz	VTCKQWGVEWFWQU-UHFFFAOYSA-N	1	0	358.442	1.744	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1	ZINC000547417415	542336039	/nfs/dbraw/zinc/33/60/39/542336039.db2.gz	JBOKMMFGVDQVFI-UHFFFAOYSA-N	1	0	358.442	1.884	20	30		FDEDRO
C[C@@H](NC(=[NH2+])NCCCN1CCOCC1)c1ccc([S@](C)=O)cc1	ZINC000270024608	674155582	/nfs/dbraw/zinc/15/55/82/674155582.db2.gz	BVHQDIJLXKAHAR-SHACYNPGSA-N	1	0	352.504	1.112	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCn2ccnc2C1	ZINC000548005154	542516075	/nfs/dbraw/zinc/51/60/75/542516075.db2.gz	OAORCLFIHDXGMA-SFHVURJKSA-N	1	0	366.469	1.843	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)c1cccc(C(N)=O)c1)C(C)C	ZINC000548693733	542755330	/nfs/dbraw/zinc/75/53/30/542755330.db2.gz	CCFKWIPFHARFJM-QGZVFWFLSA-N	1	0	365.499	1.762	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000550706269	543154515	/nfs/dbraw/zinc/15/45/15/543154515.db2.gz	CCYOBRACTVQHQN-XDNAFOTISA-N	1	0	365.518	1.568	20	30		FDEDRO
N#Cc1cnn2c1NC[C@H](C[NH2+]C[C@H]1C[C@@H](O)CN1Cc1ccccc1)C2	ZINC000550977900	543209630	/nfs/dbraw/zinc/20/96/30/543209630.db2.gz	KSODUTSBWCRJLU-QXAKKESOSA-N	1	0	366.469	1.021	20	30		FDEDRO
C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)C[C@@H](C)C1	ZINC000551685200	543321600	/nfs/dbraw/zinc/32/16/00/543321600.db2.gz	YUBJZCKPTZBJDC-OGHNNQOOSA-N	1	0	358.417	1.825	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]C[C@H](O)COc3ccc(F)c(F)c3)cnc12	ZINC000552413019	543463738	/nfs/dbraw/zinc/46/37/38/543463738.db2.gz	GAOQNTLIRDTINL-ZDUSSCGKSA-N	1	0	359.336	1.409	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1	ZINC000552504346	543478310	/nfs/dbraw/zinc/47/83/10/543478310.db2.gz	SRAGBHBIICIUMO-QGZVFWFLSA-N	1	0	367.559	1.992	20	30		FDEDRO
COc1ccc([C@H](C[NH+](C)C)NC(=O)CNc2ccc(C#N)cn2)cc1	ZINC000552816019	543522125	/nfs/dbraw/zinc/52/21/25/543522125.db2.gz	AKTHDJZUXFUROM-KRWDZBQOSA-N	1	0	353.426	1.793	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1	ZINC000075998916	172100740	/nfs/dbraw/zinc/10/07/40/172100740.db2.gz	DXVWEYBMNFIDPH-SFHVURJKSA-N	1	0	354.454	1.765	20	30		FDEDRO
COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000088775193	172237081	/nfs/dbraw/zinc/23/70/81/172237081.db2.gz	QLSPJGZZSKOEJN-UHFFFAOYSA-N	1	0	352.822	1.187	20	30		FDEDRO
CCCS(=O)(=O)NC1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1	ZINC000127069009	173063786	/nfs/dbraw/zinc/06/37/86/173063786.db2.gz	IYUVKEOERRLRBB-KRWDZBQOSA-N	1	0	351.472	1.385	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1	ZINC000127417553	173075247	/nfs/dbraw/zinc/07/52/47/173075247.db2.gz	XUQZZUCWJHGSHI-MSOLQXFVSA-N	1	0	370.453	1.381	20	30		FDEDRO
Cc1sc(NC(=O)CN(C)CCC[NH+]2CCN(C)CC2)c(C#N)c1C	ZINC000129788876	173151147	/nfs/dbraw/zinc/15/11/47/173151147.db2.gz	QCTAMCUTKYWJNJ-UHFFFAOYSA-N	1	0	363.531	1.744	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCCC[N@@H+]1CCC[C@H]1CO	ZINC000131324821	173197910	/nfs/dbraw/zinc/19/79/10/173197910.db2.gz	RPWAIONVUGVSSE-INIZCTEOSA-N	1	0	374.485	1.149	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@]2(CO)CCc3ccccc32)c1	ZINC000132239683	173226004	/nfs/dbraw/zinc/22/60/04/173226004.db2.gz	XMCRQEFEPRBYOJ-LJQANCHMSA-N	1	0	356.447	1.756	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1	ZINC000132357109	173229689	/nfs/dbraw/zinc/22/96/89/173229689.db2.gz	DTYSMTAKOMBVJG-SFHVURJKSA-N	1	0	354.454	1.765	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)c1	ZINC000176275347	174062505	/nfs/dbraw/zinc/06/25/05/174062505.db2.gz	LQORNTOHYNOICP-YXJHDRRASA-N	1	0	352.438	1.830	20	30		FDEDRO
CCc1nc2n(n1)C[C@H]([NH2+][C@H]1CCN(c3sccc3C#N)C1=O)CC2	ZINC000176789871	174087944	/nfs/dbraw/zinc/08/79/44/174087944.db2.gz	KQWCNVVJVOBRHK-OLZOCXBDSA-N	1	0	356.455	1.484	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1ccc(C#N)nc1	ZINC000176795225	174088339	/nfs/dbraw/zinc/08/83/39/174088339.db2.gz	GOSBGSBRJJFGDS-UHFFFAOYSA-N	1	0	350.469	1.767	20	30		FDEDRO
CS(=O)(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2Br)C1	ZINC000181115583	174207142	/nfs/dbraw/zinc/20/71/42/174207142.db2.gz	DNHWNMNRNURZHE-GFCCVEGCSA-N	1	0	358.261	1.444	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccc(CNC(=O)c3c[nH]c(C#N)c3)cc2)CC1	ZINC000181221458	174212280	/nfs/dbraw/zinc/21/22/80/174212280.db2.gz	PBZDUWGMYOYILT-UHFFFAOYSA-N	1	0	351.454	1.954	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000279365373	258550876	/nfs/dbraw/zinc/55/08/76/258550876.db2.gz	VWNSPZJQUFKDMV-CYBMUJFWSA-N	1	0	374.416	1.348	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC(C[NH+](CC)CC)CC2)CC1	ZINC000553328254	543609808	/nfs/dbraw/zinc/60/98/08/543609808.db2.gz	KBVBCVISWQTUST-UHFFFAOYSA-N	1	0	364.534	1.333	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)C[C@H]2c2cccnc2)CC1	ZINC000553325635	543609302	/nfs/dbraw/zinc/60/93/02/543609302.db2.gz	UIYXGBIONBXVMS-YJBOKZPZSA-N	1	0	356.470	1.758	20	30		FDEDRO
C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NCC(=O)NCC#N)cc2)C1	ZINC000553447556	543638325	/nfs/dbraw/zinc/63/83/25/543638325.db2.gz	VBNCVJLFXPMNTO-HOTGVXAUSA-N	1	0	371.485	1.603	20	30		FDEDRO
CC(C)[C@@H](C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1)N1CCOCC1	ZINC000553490818	543646055	/nfs/dbraw/zinc/64/60/55/543646055.db2.gz	PZPRQOHMGWOQJP-AZUAARDMSA-N	1	0	361.486	1.439	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)c2ncc(C)s2)CC1	ZINC000553733963	543688795	/nfs/dbraw/zinc/68/87/95/543688795.db2.gz	LKEMQHVLRJEILF-CYBMUJFWSA-N	1	0	364.515	1.828	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](CCOC)Cc2ccco2)CC1	ZINC000553669018	543678089	/nfs/dbraw/zinc/67/80/89/543678089.db2.gz	FHSHNRJGOFCELG-INIZCTEOSA-N	1	0	363.458	1.110	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2csc([C@H](C)OC)n2)CC1	ZINC000553669973	543678106	/nfs/dbraw/zinc/67/81/06/543678106.db2.gz	RDQJYFXBHDOYNY-LBPRGKRZSA-N	1	0	366.487	1.233	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1	ZINC000553987843	543729306	/nfs/dbraw/zinc/72/93/06/543729306.db2.gz	YHYPHVKCWIEUNZ-UHFFFAOYSA-N	1	0	371.481	1.954	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1	ZINC000554043853	543739972	/nfs/dbraw/zinc/73/99/72/543739972.db2.gz	RDIFVQJQPRYEME-UHFFFAOYSA-N	1	0	351.422	1.165	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccncc1OCC[NH+](C)C	ZINC000554783076	543870405	/nfs/dbraw/zinc/87/04/05/543870405.db2.gz	FGPWRIJSJAVFKY-HNNXBMFYSA-N	1	0	368.437	1.977	20	30		FDEDRO
COC(=O)c1cccc(CN2CCC(C(=O)NCC[NH+](C)C)CC2)c1C#N	ZINC000555683722	544004852	/nfs/dbraw/zinc/00/48/52/544004852.db2.gz	GZNHMIYNWLFPQX-UHFFFAOYSA-N	1	0	372.469	1.235	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000556355021	544135521	/nfs/dbraw/zinc/13/55/21/544135521.db2.gz	GLAIDOFHSIDNBU-UHFFFAOYSA-N	1	0	366.487	1.339	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H](Cc1ccccc1)C(=O)OC	ZINC000556514327	544151644	/nfs/dbraw/zinc/15/16/44/544151644.db2.gz	BZLOBHRQBSUFCH-DZKIICNBSA-N	1	0	361.442	1.397	20	30		FDEDRO
CC[C@@H](C)[NH+]1CCN(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1	ZINC000556613467	544162595	/nfs/dbraw/zinc/16/25/95/544162595.db2.gz	OOQUGSJLFWVZBD-OAHLLOKOSA-N	1	0	367.457	2.395	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(C(=O)Cc2c(F)cccc2C#N)CC1	ZINC000557033942	544237338	/nfs/dbraw/zinc/23/73/38/544237338.db2.gz	MGOUUCPTABYBCA-UHFFFAOYSA-N	1	0	354.385	1.992	20	30		FDEDRO
N#CCCCCNC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1	ZINC000557701463	544332793	/nfs/dbraw/zinc/33/27/93/544332793.db2.gz	MJIDSIPACUMHRI-UHFFFAOYSA-N	1	0	364.490	1.147	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCO[C@@H](c3ccccc3C)C2)CC1	ZINC000557730910	544337587	/nfs/dbraw/zinc/33/75/87/544337587.db2.gz	LWOOKJUXAUJSMQ-LJQANCHMSA-N	1	0	371.481	1.662	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2c(F)cccc2OC)CC1	ZINC000557732897	544337778	/nfs/dbraw/zinc/33/77/78/544337778.db2.gz	HLCARKHCBIRBPX-CYBMUJFWSA-N	1	0	363.433	1.778	20	30		FDEDRO
CCS(=O)(=O)N1CCN(CCOc2ccc(C#N)cc2OC)[C@H](C)C1	ZINC000558134974	544389563	/nfs/dbraw/zinc/38/95/63/544389563.db2.gz	UOIYEBHDGJPPEL-CQSZACIVSA-N	1	0	367.471	1.301	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N1CCC(C[N@H+](C)C(C)C)CC1	ZINC000558584463	544474029	/nfs/dbraw/zinc/47/40/29/544474029.db2.gz	MVJUILVTBIORQM-UHFFFAOYSA-N	1	0	360.524	1.145	20	30		FDEDRO
CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N(C)CCC#N	ZINC000559014751	544571443	/nfs/dbraw/zinc/57/14/43/544571443.db2.gz	HEWDKWIBPHLESH-UHFFFAOYSA-N	1	0	373.457	1.148	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1	ZINC000559307204	544637844	/nfs/dbraw/zinc/63/78/44/544637844.db2.gz	RCKJUCHFTPLEPY-MRXNPFEDSA-N	1	0	354.414	1.308	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)C1	ZINC000559441984	544686665	/nfs/dbraw/zinc/68/66/65/544686665.db2.gz	OTGLCOBDXFPTPM-CRAIPNDOSA-N	1	0	372.469	1.208	20	30		FDEDRO
CC[NH+](CC)CCS(=O)(=O)N1CCN([C@H](C#N)c2ccccc2)CC1	ZINC000559640963	544753304	/nfs/dbraw/zinc/75/33/04/544753304.db2.gz	ROXKSXBFCLLTEI-GOSISDBHSA-N	1	0	364.515	1.540	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NC[C@H](CC)[N@@H+]1CCc2ccccc2C1	ZINC000559749692	544783917	/nfs/dbraw/zinc/78/39/17/544783917.db2.gz	NZZMNFYPHUTMEL-IBGZPJMESA-N	1	0	373.497	1.601	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000560413427	545001689	/nfs/dbraw/zinc/00/16/89/545001689.db2.gz	CJHMELHZGWJERK-QRVBRYPASA-N	1	0	359.470	1.920	20	30		FDEDRO
N#Cc1ccc(CN2CCC[N@@H+](CCCOC(=O)NC(N)=O)CC2)cc1	ZINC000299593754	259009180	/nfs/dbraw/zinc/00/91/80/259009180.db2.gz	DGTHLFOBRHACKR-UHFFFAOYSA-N	1	0	359.430	1.261	20	30		FDEDRO
CC(C)(O)C[NH+]1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1	ZINC000301430158	259028158	/nfs/dbraw/zinc/02/81/58/259028158.db2.gz	VIIDTIGDPKSRPH-UHFFFAOYSA-N	1	0	355.398	1.908	20	30		FDEDRO
N#Cc1ccnc(NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1[N+](=O)[O-]	ZINC000301840096	259034169	/nfs/dbraw/zinc/03/41/69/259034169.db2.gz	AJRJRZFDIBIRCA-HOTGVXAUSA-N	1	0	353.382	1.909	20	30		FDEDRO
N#Cc1cccc(-c2nnc(CN3CC[NH+](C4CCOCC4)CC3)o2)c1	ZINC000329998833	259121231	/nfs/dbraw/zinc/12/12/31/259121231.db2.gz	SYSVHBJQWXYXGB-UHFFFAOYSA-N	1	0	353.426	1.905	20	30		FDEDRO
C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000331288611	259185525	/nfs/dbraw/zinc/18/55/25/259185525.db2.gz	JIAGSLCCQYSSIW-GFCCVEGCSA-N	1	0	352.416	1.619	20	30		FDEDRO
CO[C@H]1C[C@@H](CO)[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1	ZINC000331534372	259202165	/nfs/dbraw/zinc/20/21/65/259202165.db2.gz	HGVCNWYZBOFUQL-STQMWFEESA-N	1	0	363.483	1.909	20	30		FDEDRO
N#Cc1ccc(NC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1F	ZINC000331767784	259218624	/nfs/dbraw/zinc/21/86/24/259218624.db2.gz	DITAJPLCZLDZOK-CQSZACIVSA-N	1	0	359.405	1.373	20	30		FDEDRO
N#Cc1cc(NC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)ccc1F	ZINC000331831440	259222838	/nfs/dbraw/zinc/22/28/38/259222838.db2.gz	RZNZMGZYELLTIV-ZDUSSCGKSA-N	1	0	359.405	1.373	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC1([NH3+])CCCCC1	ZINC000332060181	259238011	/nfs/dbraw/zinc/23/80/11/259238011.db2.gz	PDMZCMLBQHVZOS-CQSZACIVSA-N	1	0	357.462	1.230	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1	ZINC000332086369	259240540	/nfs/dbraw/zinc/24/05/40/259240540.db2.gz	RGQPQIPAMGPJOY-OAHLLOKOSA-N	1	0	360.433	1.314	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000332236305	259251622	/nfs/dbraw/zinc/25/16/22/259251622.db2.gz	GTFICIMKTXHRSE-OCCSQVGLSA-N	1	0	350.400	1.372	20	30		FDEDRO
CO[C@@H]1CC[N@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)[C@@H](C)C1	ZINC000332266439	259253676	/nfs/dbraw/zinc/25/36/76/259253676.db2.gz	DGQPNFRCARTVJX-DZGCQCFKSA-N	1	0	361.446	1.003	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C	ZINC000332628954	259283976	/nfs/dbraw/zinc/28/39/76/259283976.db2.gz	VZJHUXSVLRQRRT-CHWSQXEVSA-N	1	0	354.458	1.701	20	30		FDEDRO
N#Cc1cccc(CS(=O)(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1	ZINC000333482949	259352648	/nfs/dbraw/zinc/35/26/48/259352648.db2.gz	CIQCMDJJTJAMEI-MSOLQXFVSA-N	1	0	363.483	1.606	20	30		FDEDRO
C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000333510353	259355664	/nfs/dbraw/zinc/35/56/64/259355664.db2.gz	FIYXRAZUSNHUMB-JQFCIGGWSA-N	1	0	355.442	1.493	20	30		FDEDRO
Cc1cc(S(=O)(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)ccc1C#N	ZINC000333686139	259369696	/nfs/dbraw/zinc/36/96/96/259369696.db2.gz	PHWJAUMDCIZSQZ-ROUUACIJSA-N	1	0	363.483	1.774	20	30		FDEDRO
N#Cc1ccc(Cl)c(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c1	ZINC000367574810	260063331	/nfs/dbraw/zinc/06/33/31/260063331.db2.gz	XMMDWPVYYDRXEQ-HNNXBMFYSA-N	1	0	362.861	1.348	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CN(C(=O)NCCn3cnc(C#N)n3)C[C@H]2[C@@H]1c1ccccc1	ZINC000367855139	260101145	/nfs/dbraw/zinc/10/11/45/260101145.db2.gz	FPDAIGAOYBXBMT-NUJGCVRESA-N	1	0	365.441	1.094	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CNC(=O)NCCn2cnc(C#N)n2)[C@H]1c1cccs1	ZINC000368625141	260211175	/nfs/dbraw/zinc/21/11/75/260211175.db2.gz	PUYMWGQGYBAMIY-WFASDCNBSA-N	1	0	359.459	1.203	20	30		FDEDRO
C[C@H](C(=O)Nc1ccccc1C#N)N1CCC(O)(C[NH+]2CCOCC2)CC1	ZINC000368680484	260219938	/nfs/dbraw/zinc/21/99/38/260219938.db2.gz	MZGHJPBDKKGIQL-MRXNPFEDSA-N	1	0	372.469	1.044	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)CC2)nc1	ZINC000368943551	260263984	/nfs/dbraw/zinc/26/39/84/260263984.db2.gz	YHRBUJYMRNMUHL-MRXNPFEDSA-N	1	0	368.485	1.706	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1	ZINC000369355975	260346898	/nfs/dbraw/zinc/34/68/98/260346898.db2.gz	TYCKUOOGCYTVGP-WMZOPIPTSA-N	1	0	356.470	1.564	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)CN2CCC[N@@H+](C3CCOCC3)CC2)cc1	ZINC000369548289	260388842	/nfs/dbraw/zinc/38/88/42/260388842.db2.gz	IQKIFLGUYXAQHO-LJQANCHMSA-N	1	0	359.470	1.485	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCOc1ccc(C#N)cc1	ZINC000373321796	261001158	/nfs/dbraw/zinc/00/11/58/261001158.db2.gz	TYWVRUZDHMSSHF-MRXNPFEDSA-N	1	0	372.469	1.832	20	30		FDEDRO
COc1ccc(C[NH2+][C@H]2CCCN(Cc3ccnc(C)n3)C2=O)cc1C#N	ZINC000373370047	261004842	/nfs/dbraw/zinc/00/48/42/261004842.db2.gz	OKEDYDVNNHPHAY-SFHVURJKSA-N	1	0	365.437	1.946	20	30		FDEDRO
C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1CCC(n2cnc(C#N)n2)CC1	ZINC000373405014	261007893	/nfs/dbraw/zinc/00/78/93/261007893.db2.gz	NLUCNHVSUDLFQN-WBVHZDCISA-N	1	0	374.489	1.498	20	30		FDEDRO
CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCC(n2cnc(C#N)n2)CC1	ZINC000373431965	261010367	/nfs/dbraw/zinc/01/03/67/261010367.db2.gz	RPFCHVOXSHXCTF-HNNXBMFYSA-N	1	0	359.478	1.761	20	30		FDEDRO
C[C@@H](CNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1)C[NH+]1CCCC1	ZINC000373699255	261032504	/nfs/dbraw/zinc/03/25/04/261032504.db2.gz	HQOFVWIGQLLSSF-QFBILLFUSA-N	1	0	368.481	1.897	20	30		FDEDRO
C[C@H]1CCC[N@H+](CCNC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1	ZINC000373701658	261032571	/nfs/dbraw/zinc/03/25/71/261032571.db2.gz	SXSXZZFIQJJOIZ-QFBILLFUSA-N	1	0	368.481	1.897	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)s1	ZINC000373844354	261046477	/nfs/dbraw/zinc/04/64/77/261046477.db2.gz	JGVIHUUPWIMFLX-OLZOCXBDSA-N	1	0	355.485	1.230	20	30		FDEDRO
COc1cc(C[NH2+][C@H]2CCCN(Cc3ccnc(C)n3)C2=O)ccc1C#N	ZINC000374129017	261081985	/nfs/dbraw/zinc/08/19/85/261081985.db2.gz	JPJXEMLJWWCZBE-SFHVURJKSA-N	1	0	365.437	1.946	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)NCCc3cccc(C#N)c3)C2)CC1	ZINC000374266560	261102507	/nfs/dbraw/zinc/10/25/07/261102507.db2.gz	XSNGSUCRBCWWSE-LJQANCHMSA-N	1	0	355.486	1.522	20	30		FDEDRO
Cc1oc(NC(=O)CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(C#N)c1C	ZINC000374420818	261129129	/nfs/dbraw/zinc/12/91/29/261129129.db2.gz	MKWMAKVMRXNLBK-USXIJHARSA-N	1	0	360.458	1.890	20	30		FDEDRO
COC(=O)c1cn([C@@H]2CC[N@H+](CCCOc3cccc(C#N)c3)C2)nn1	ZINC000375191641	261285009	/nfs/dbraw/zinc/28/50/09/261285009.db2.gz	FNMUEINBIPDXSO-OAHLLOKOSA-N	1	0	355.398	1.652	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CC[NH+]1CCC(N2C(=O)CCCC2=O)CC1	ZINC000375330012	261314678	/nfs/dbraw/zinc/31/46/78/261314678.db2.gz	BTYQMDUPTNMVQH-UHFFFAOYSA-N	1	0	368.437	1.890	20	30		FDEDRO
N#Cc1ccc(C2=CCN(CC(=O)N3CCC[C@H](C(N)=O)C3)CC2)cc1	ZINC000378357458	262010994	/nfs/dbraw/zinc/01/09/94/262010994.db2.gz	RSHJZKWXSFSRAT-SFHVURJKSA-N	1	0	352.438	1.371	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)n1cnc(C#N)n1	ZINC000409606034	262128362	/nfs/dbraw/zinc/12/83/62/262128362.db2.gz	CIWUOOJMCNTVOL-ZDUSSCGKSA-N	1	0	356.455	1.898	20	30		FDEDRO
Cc1ccc([C@H](CNC(=O)[C@@H](C)n2cnc(C#N)n2)[NH+]2CCCC2)cc1	ZINC000409605764	262129088	/nfs/dbraw/zinc/12/90/88/262129088.db2.gz	AHQPNWDOFYZPJR-WBVHZDCISA-N	1	0	352.442	1.973	20	30		FDEDRO
CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)[C@H](C)n1cnc(C#N)n1	ZINC000409843314	262141612	/nfs/dbraw/zinc/14/16/12/262141612.db2.gz	HIJNSZAYPMPSIM-LBPRGKRZSA-N	1	0	360.384	1.834	20	30		FDEDRO
CCN(C(=O)[C@@H](C)n1cnc(C#N)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000409939638	262146179	/nfs/dbraw/zinc/14/61/79/262146179.db2.gz	XULNEHGQWZUIPR-WBVHZDCISA-N	1	0	352.442	1.834	20	30		FDEDRO
C[NH+]1CCC(O)(CNC(=O)c2ccc(Br)cc2C#N)CC1	ZINC000294826581	676397468	/nfs/dbraw/zinc/39/74/68/676397468.db2.gz	CXTVLBHHERAGQQ-UHFFFAOYSA-N	1	0	352.232	1.507	20	30		FDEDRO
N#Cc1c(NC(=O)CC[N@H+]2CC[C@@H](NC(N)=O)C2)sc2c1CCCC2	ZINC000270663932	674246860	/nfs/dbraw/zinc/24/68/60/674246860.db2.gz	KOECHJKMHUUKFE-LLVKDONJSA-N	1	0	361.471	1.570	20	30		FDEDRO
CN(CCC#N)c1ccc(C[N@@H+]2CCCC[C@H]2CNS(C)(=O)=O)cc1	ZINC000271074747	674305667	/nfs/dbraw/zinc/30/56/67/674305667.db2.gz	NQMRPTGXKLAPLU-SFHVURJKSA-N	1	0	364.515	1.940	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccnc(OCCOC)c2)c1C#N	ZINC000539721145	490793290	/nfs/dbraw/zinc/79/32/90/490793290.db2.gz	PCCCXKSVGNTMLR-UHFFFAOYSA-N	1	0	358.402	1.106	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)nn1CCC#N	ZINC000504558164	490804465	/nfs/dbraw/zinc/80/44/65/490804465.db2.gz	BAVYTAFSZOROKH-ZFWWWQNUSA-N	1	0	360.462	1.423	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H](CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1	ZINC000600034330	492234562	/nfs/dbraw/zinc/23/45/62/492234562.db2.gz	GDMWGEZSURNMLU-ZDUSSCGKSA-N	1	0	360.462	1.296	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)CN3CCSC3=O)CC2)cc1	ZINC000023451074	518953117	/nfs/dbraw/zinc/95/31/17/518953117.db2.gz	ZCGWIQORUXHPIL-UHFFFAOYSA-N	1	0	358.467	1.761	20	30		FDEDRO
N#Cc1ccc(N2CC[NH+](C[C@H](O)COCc3ccccc3)CC2)nc1	ZINC000034772523	519595608	/nfs/dbraw/zinc/59/56/08/519595608.db2.gz	OIVZUIYDXDRGTJ-IBGZPJMESA-N	1	0	352.438	1.653	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCCC[N@@H+](C)C(C)C)cc1	ZINC000041318516	519651684	/nfs/dbraw/zinc/65/16/84/519651684.db2.gz	VTBNJYUWVRVBKR-UHFFFAOYSA-N	1	0	353.488	1.611	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1	ZINC000041897524	519671410	/nfs/dbraw/zinc/67/14/10/519671410.db2.gz	NUPSMDGGPKVUKE-QGZVFWFLSA-N	1	0	370.453	1.458	20	30		FDEDRO
CC(C)[C@H](CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1)[NH+]1CCN(C)CC1	ZINC000042578156	519695865	/nfs/dbraw/zinc/69/58/65/519695865.db2.gz	WQRIOLBHDQSHGO-APWZRJJASA-N	1	0	358.486	1.714	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCN1CCCC1=O	ZINC000042877432	521795556	/nfs/dbraw/zinc/79/55/56/521795556.db2.gz	OARGFYZGYSOWAU-UHFFFAOYSA-N	1	0	371.485	1.644	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)Nc1ccc(N2CC[NH+](CC)CC2)cc1C	ZINC000056170433	521809087	/nfs/dbraw/zinc/80/90/87/521809087.db2.gz	QYTPJNHEYOIKAD-MRXNPFEDSA-N	1	0	373.501	1.949	20	30		FDEDRO
CCn1c2ccccc2n(CC(=O)N(CCC#N)CCC[NH+](C)C)c1=O	ZINC000069576464	521919100	/nfs/dbraw/zinc/91/91/00/521919100.db2.gz	MXSPATNUSRZCAC-UHFFFAOYSA-N	1	0	357.458	1.517	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)cc1	ZINC000069988358	521991921	/nfs/dbraw/zinc/99/19/21/521991921.db2.gz	MVFFXORYUIEUNV-UHFFFAOYSA-N	1	0	372.469	1.484	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](c2noc(C)n2)c2ccccc2OC)CC1	ZINC000070982152	522069191	/nfs/dbraw/zinc/06/91/91/522069191.db2.gz	PHABXVPSYCVVBO-SFHVURJKSA-N	1	0	368.437	1.937	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1	ZINC000071064144	522091746	/nfs/dbraw/zinc/09/17/46/522091746.db2.gz	ZSZUVUBNGDFOSG-OAHLLOKOSA-N	1	0	370.453	1.908	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1	ZINC000058274947	522239040	/nfs/dbraw/zinc/23/90/40/522239040.db2.gz	IRVCIPSMZGIAFD-QGZVFWFLSA-N	1	0	363.483	1.321	20	30		FDEDRO
N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H]2C(=O)N2CCSCC2)c1	ZINC000072609468	522332345	/nfs/dbraw/zinc/33/23/45/522332345.db2.gz	ASLXFMHNFVTMBQ-QGZVFWFLSA-N	1	0	372.494	1.927	20	30		FDEDRO
COCCN(CCC#N)CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1	ZINC000072689952	522356981	/nfs/dbraw/zinc/35/69/81/522356981.db2.gz	OGUUFAXOGVBWKN-UHFFFAOYSA-N	1	0	372.513	1.891	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1	ZINC000072974645	522438792	/nfs/dbraw/zinc/43/87/92/522438792.db2.gz	SKRXEXRXXUGPGC-ULQDDVLXSA-N	1	0	350.507	1.973	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)c1	ZINC000047104044	522445705	/nfs/dbraw/zinc/44/57/05/522445705.db2.gz	HIYGWFUJDGKEFJ-IAGOWNOFSA-N	1	0	354.458	1.412	20	30		FDEDRO
C[NH+]1CCC(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)CC1	ZINC000073226840	522494041	/nfs/dbraw/zinc/49/40/41/522494041.db2.gz	AJCWCTBZOKTRST-INIZCTEOSA-N	1	0	358.467	1.740	20	30		FDEDRO
Cc1ccc(/C=c2\sc(=C(C#N)C#N)n(C3CC[NH+](C)CC3)c2=O)cc1	ZINC000063452618	522591751	/nfs/dbraw/zinc/59/17/51/522591751.db2.gz	KQYFSROUGIMGBJ-WQRHYEAKSA-N	1	0	364.474	1.512	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1	ZINC000073884798	522626782	/nfs/dbraw/zinc/62/67/82/522626782.db2.gz	LFUKOASRLNVHQQ-UHFFFAOYSA-N	1	0	366.487	1.027	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)no1	ZINC000048029303	522656132	/nfs/dbraw/zinc/65/61/32/522656132.db2.gz	QFEVBBWIWJQRRC-UHFFFAOYSA-N	1	0	355.398	1.384	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1	ZINC000048047288	522658614	/nfs/dbraw/zinc/65/86/14/522658614.db2.gz	TUMKZBYNXQSVCV-HUUCEWRRSA-N	1	0	364.490	1.357	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)NCC1CC[NH+](CCN(C)C)CC1	ZINC000074139288	522692523	/nfs/dbraw/zinc/69/25/23/522692523.db2.gz	UTNREHCRLPIEFR-INIZCTEOSA-N	1	0	358.486	1.715	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)NCCCC[NH+]1CCOCC1	ZINC000048286514	522705880	/nfs/dbraw/zinc/70/58/80/522705880.db2.gz	RHQKDKKOVCWIMH-UHFFFAOYSA-N	1	0	361.490	1.575	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)CCc3ccc(C#N)cc3)ccn2)CC1	ZINC000048335485	522717271	/nfs/dbraw/zinc/71/72/71/522717271.db2.gz	ILXLYSQKNQOGGJ-UHFFFAOYSA-N	1	0	363.465	1.954	20	30		FDEDRO
N#CCSCCC[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2)CC1	ZINC000074981652	522862621	/nfs/dbraw/zinc/86/26/21/522862621.db2.gz	OISVSPWDYQZIJF-UHFFFAOYSA-N	1	0	354.501	1.103	20	30		FDEDRO
COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000075674723	522954724	/nfs/dbraw/zinc/95/47/24/522954724.db2.gz	LEPCCGDJUQWNJV-QGZVFWFLSA-N	1	0	359.386	1.172	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1	ZINC000076272321	523061689	/nfs/dbraw/zinc/06/16/89/523061689.db2.gz	QYSYVGWKPVXTDJ-HNNXBMFYSA-N	1	0	359.401	1.473	20	30		FDEDRO
CSc1ccc(N2C[C@@H](C(=O)NC3(C#N)CC[NH+](C)CC3)CC2=O)cc1	ZINC000077039394	523241351	/nfs/dbraw/zinc/24/13/51/523241351.db2.gz	MSGVFYCZKIHSRE-AWEZNQCLSA-N	1	0	372.494	1.866	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)CNc2ccc(C#N)cc2)CC1	ZINC000066941762	523277903	/nfs/dbraw/zinc/27/79/03/523277903.db2.gz	TZFZJUDTTREKPM-UHFFFAOYSA-N	1	0	364.453	1.433	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)C1	ZINC000077731577	523437064	/nfs/dbraw/zinc/43/70/64/523437064.db2.gz	DGAJQKHOLWZRCP-MRXNPFEDSA-N	1	0	370.457	1.763	20	30		FDEDRO
C=C(Cl)CNC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000077792075	523466149	/nfs/dbraw/zinc/46/61/49/523466149.db2.gz	LZPRDUJFWFBOMW-INIZCTEOSA-N	1	0	364.877	1.936	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)cc1	ZINC000067503661	523475262	/nfs/dbraw/zinc/47/52/62/523475262.db2.gz	FZZRZEWKINVEJM-INIZCTEOSA-N	1	0	350.488	1.550	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1	ZINC000054203021	523592796	/nfs/dbraw/zinc/59/27/96/523592796.db2.gz	IUALMMDYORBTQL-CVEARBPZSA-N	1	0	357.458	1.740	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)CC2)c1	ZINC000079457534	523751857	/nfs/dbraw/zinc/75/18/57/523751857.db2.gz	AMVANZWGTPSYEB-INIZCTEOSA-N	1	0	354.458	1.269	20	30		FDEDRO
COc1ccc([C@@H](C#N)N2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)cc1	ZINC000110612073	524109091	/nfs/dbraw/zinc/10/90/91/524109091.db2.gz	AKKRFNOOZFIBIN-MOPGFXCFSA-N	1	0	358.486	1.990	20	30		FDEDRO
C[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1C#N)[N@@H+]1CCc2ccccc2C1	ZINC000135376946	524135072	/nfs/dbraw/zinc/13/50/72/524135072.db2.gz	VCGZOBOVJYGXHP-CQSZACIVSA-N	1	0	366.469	1.701	20	30		FDEDRO
CC[C@H](C#N)NC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C	ZINC000135538034	524150861	/nfs/dbraw/zinc/15/08/61/524150861.db2.gz	QQCSTQIJUNXYIF-CQSZACIVSA-N	1	0	366.487	1.257	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1	ZINC000121166850	524172978	/nfs/dbraw/zinc/17/29/78/524172978.db2.gz	BPPHELWMEUYDTK-LJQANCHMSA-N	1	0	368.481	1.235	20	30		FDEDRO
C=CCNc1ncc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)s1	ZINC000136175150	524186355	/nfs/dbraw/zinc/18/63/55/524186355.db2.gz	JDYSBQWHTAZVOU-UHFFFAOYSA-N	1	0	350.488	1.925	20	30		FDEDRO
CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000157151542	524218959	/nfs/dbraw/zinc/21/89/59/524218959.db2.gz	XATZIYWDGUTMFA-SFHVURJKSA-N	1	0	371.485	1.395	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1	ZINC000111231339	524228355	/nfs/dbraw/zinc/22/83/55/524228355.db2.gz	SWULBJNXYYASHR-WSTZPKSXSA-N	1	0	363.550	1.531	20	30		FDEDRO
COc1cc2c(cc1CNC(=[NH2+])NCCCN1CCOCC1)O[C@H](C)C2	ZINC000157415987	524268939	/nfs/dbraw/zinc/26/89/39/524268939.db2.gz	NTYZDAVSDVVHMP-CQSZACIVSA-N	1	0	362.474	1.145	20	30		FDEDRO
C[NH+]=C(NCc1ccnn1C)NCc1nn(-c2ccccc2)c2c1CCC2	ZINC000083849806	524278375	/nfs/dbraw/zinc/27/83/75/524278375.db2.gz	FGJZVIZLZNXMEW-UHFFFAOYSA-N	1	0	363.469	1.960	20	30		FDEDRO
C=CC[N@@H+](C)[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000121609953	524308473	/nfs/dbraw/zinc/30/84/73/524308473.db2.gz	INKDYKYGSPHABC-MRXNPFEDSA-N	1	0	365.499	1.334	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)CN(C)CCN1CCN(c2ccccc2)CC1	ZINC000157766091	524332080	/nfs/dbraw/zinc/33/20/80/524332080.db2.gz	UYQHYJFHAKYZIA-OAQYLSRUSA-N	1	0	371.529	1.795	20	30		FDEDRO
Cc1ncsc1C(=O)N1CCCN([C@@H](C)C(=O)N(C)CCC#N)CC1	ZINC000141944797	524343724	/nfs/dbraw/zinc/34/37/24/524343724.db2.gz	OSOVGWFIBOTCGE-AWEZNQCLSA-N	1	0	363.487	1.360	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC)c3ncccc23)CC1	ZINC000173271340	524359056	/nfs/dbraw/zinc/35/90/56/524359056.db2.gz	QOHRVBKNMLELEV-UHFFFAOYSA-N	1	0	368.437	1.949	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(NC(=O)CC)cc2)CC1	ZINC000173273858	524359768	/nfs/dbraw/zinc/35/97/68/524359768.db2.gz	ZELQHVCABPXQSE-UHFFFAOYSA-N	1	0	358.442	1.740	20	30		FDEDRO
C[C@H]1CCC[C@@](CNC(=O)C(=O)Nc2ccn(CCC#N)n2)([NH+](C)C)C1	ZINC000086449808	524393605	/nfs/dbraw/zinc/39/36/05/524393605.db2.gz	XYQKNODUROWUOA-KBXCAEBGSA-N	1	0	360.462	1.362	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)CC1	ZINC000088271705	524441864	/nfs/dbraw/zinc/44/18/64/524441864.db2.gz	IKTBRWWYKPKPSD-MRXNPFEDSA-N	1	0	361.392	1.532	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)CC1	ZINC000088271706	524442198	/nfs/dbraw/zinc/44/21/98/524442198.db2.gz	IKTBRWWYKPKPSD-INIZCTEOSA-N	1	0	361.392	1.532	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CCN(c3ccccc3F)C2=O)CC1	ZINC000112326266	524461114	/nfs/dbraw/zinc/46/11/14/524461114.db2.gz	LTQGKSDJKURWAS-GOSISDBHSA-N	1	0	357.429	1.735	20	30		FDEDRO
CCC[NH+]1CCC(N2CCN(CC(=O)N(CC)C[C@H](C)C#N)CC2)CC1	ZINC000112358641	524469176	/nfs/dbraw/zinc/46/91/76/524469176.db2.gz	VMWMPOSOHSBDJY-GOSISDBHSA-N	1	0	363.550	1.487	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)N1CCN(C(=O)c2ccco2)CC1	ZINC000089158661	524478487	/nfs/dbraw/zinc/47/84/87/524478487.db2.gz	UNNNBZPLWYNQJZ-OIISXLGYSA-N	1	0	374.485	1.816	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H]([NH+](CC)CC)C2)c1	ZINC000174166426	524524002	/nfs/dbraw/zinc/52/40/02/524524002.db2.gz	CWMUCDCTBORBNX-INIZCTEOSA-N	1	0	363.483	1.154	20	30		FDEDRO
C[C@H]1CCC[C@@](CNC(=O)CCNC(=O)C2N=CC=CC2=O)([NH+](C)C)C1	ZINC000174203756	524527566	/nfs/dbraw/zinc/52/75/66/524527566.db2.gz	VHXHVGGYTVZOHZ-BKAWYJCYSA-N	1	0	362.474	1.530	20	30		FDEDRO
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(S(=O)(=O)CCCCC#N)CC1	ZINC000158822976	524534371	/nfs/dbraw/zinc/53/43/71/524534371.db2.gz	IULSZDRQYBDVAN-IAGOWNOFSA-N	1	0	356.536	1.500	20	30		FDEDRO
CN(CC[NH+]1CCCC1)CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000089899936	524541007	/nfs/dbraw/zinc/54/10/07/524541007.db2.gz	RJPWLAIAYIEPFC-UHFFFAOYSA-N	1	0	352.442	1.710	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CCC(=O)Nc1ccc(C#N)cc1	ZINC000089943774	524556915	/nfs/dbraw/zinc/55/69/15/524556915.db2.gz	MHYKJBOEXJOKPR-UHFFFAOYSA-N	1	0	351.414	1.628	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000122917252	524643248	/nfs/dbraw/zinc/64/32/48/524643248.db2.gz	ZLRCRIMIRWLYKB-LBPRGKRZSA-N	1	0	352.416	1.571	20	30		FDEDRO
Cc1cc(N2CC[C@@H]([NH2+]Cc3ccc(O[C@H](C)C#N)cc3)C2=O)n(C)n1	ZINC000174620377	524656802	/nfs/dbraw/zinc/65/68/02/524656802.db2.gz	PIGXWFIHLAOMPF-RHSMWYFYSA-N	1	0	353.426	1.915	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NCC[N@H+]1CCCC[C@H]1C	ZINC000174633798	524664199	/nfs/dbraw/zinc/66/41/99/524664199.db2.gz	FQQPLWUYQUXCTH-CQSZACIVSA-N	1	0	361.417	1.767	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)Nc2cccc(C)c2C#N)CC1	ZINC000174770228	524730594	/nfs/dbraw/zinc/73/05/94/524730594.db2.gz	NPBVBDHPOUDGFD-HNNXBMFYSA-N	1	0	371.485	1.195	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)Nc2cc(C#N)ccc2C)CC1	ZINC000174769758	524730774	/nfs/dbraw/zinc/73/07/74/524730774.db2.gz	PTPMBEKYYCNSGT-HNNXBMFYSA-N	1	0	371.485	1.195	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCC(OC(C)(C)C)CC2)CC1	ZINC000091591800	524732953	/nfs/dbraw/zinc/73/29/53/524732953.db2.gz	FMQUWUCWQLHWTM-GOSISDBHSA-N	1	0	364.534	1.958	20	30		FDEDRO
CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1	ZINC000123372092	524740072	/nfs/dbraw/zinc/74/00/72/524740072.db2.gz	OHQRACPBIUXUKE-CYBMUJFWSA-N	1	0	366.443	1.819	20	30		FDEDRO
C[NH+](C)C[C@H]1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000114198802	524759611	/nfs/dbraw/zinc/75/96/11/524759611.db2.gz	GLAVNLDFHAHTRZ-OAHLLOKOSA-N	1	0	352.442	1.566	20	30		FDEDRO
C[C@H](C(=O)Nc1ccccc1C#N)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1	ZINC000174883852	524779016	/nfs/dbraw/zinc/77/90/16/524779016.db2.gz	WSZKQWGBBHFNQH-MJGOQNOKSA-N	1	0	369.513	1.987	20	30		FDEDRO
Cc1cc(C)cc(/N=C2\NC(=O)C(CC(=O)NCCC[NH+](C)C)S2)c1	ZINC000174892108	524781086	/nfs/dbraw/zinc/78/10/86/524781086.db2.gz	TTXKYHBRRPZCPF-OAHLLOKOSA-N	1	0	362.499	1.981	20	30		FDEDRO
CCc1cccc(/N=C2\NC(=O)C(CC(=O)NCCC[NH+](C)C)S2)c1	ZINC000174892727	524782241	/nfs/dbraw/zinc/78/22/41/524782241.db2.gz	JEDCBNWYYMHGPN-HNNXBMFYSA-N	1	0	362.499	1.926	20	30		FDEDRO
C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)Nc2ccn(CCC#N)n2)C1	ZINC000123707210	524813625	/nfs/dbraw/zinc/81/36/25/524813625.db2.gz	MHDOCVIHLBBSRN-HZPDHXFCSA-N	1	0	374.489	1.610	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)CC1	ZINC000152218847	524816932	/nfs/dbraw/zinc/81/69/32/524816932.db2.gz	YURXXOPBTXYQRR-IBGZPJMESA-N	1	0	353.466	1.639	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1	ZINC000092799434	524916658	/nfs/dbraw/zinc/91/66/58/524916658.db2.gz	KCWLMMDHOVMAGN-KRWDZBQOSA-N	1	0	356.470	1.891	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[N@@H+]1C1CC1	ZINC000124383662	524971685	/nfs/dbraw/zinc/97/16/85/524971685.db2.gz	NHEGCFHLLPNJJN-RHSMWYFYSA-N	1	0	368.485	1.846	20	30		FDEDRO
Cn1c(NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)c(C#N)c(=O)n(C)c1=O	ZINC000160801986	524972902	/nfs/dbraw/zinc/97/29/02/524972902.db2.gz	NWFMNTNQQDTUJY-HXUWFJFHSA-N	1	0	367.453	1.422	20	30		FDEDRO
C[NH+]=C(NCc1ccc(S(N)(=O)=O)s1)N1CC[C@H](CC(C)C)C1	ZINC000175562639	524976979	/nfs/dbraw/zinc/97/69/79/524976979.db2.gz	PRMQMEIDONOVIG-GFCCVEGCSA-N	1	0	358.533	1.839	20	30		FDEDRO
C[NH+]=C(NCc1cccnc1-n1ccnc1)N1CC[C@H](c2cnn(C)c2)C1	ZINC000175579295	524980001	/nfs/dbraw/zinc/98/00/01/524980001.db2.gz	AVDJYBZWQDBMAZ-INIZCTEOSA-N	1	0	364.457	1.566	20	30		FDEDRO
N#Cc1ccc([C@H]([NH2+]C[C@@H](c2cccs2)N2CCOCC2)C(N)=O)cc1	ZINC000115532010	525010822	/nfs/dbraw/zinc/01/08/22/525010822.db2.gz	RGQLXBLZLQDFFX-WMZOPIPTSA-N	1	0	370.478	1.809	20	30		FDEDRO
C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1	ZINC000152806393	525012066	/nfs/dbraw/zinc/01/20/66/525012066.db2.gz	JACDEIRFFMVRDZ-IBGZPJMESA-N	1	0	357.410	1.773	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1	ZINC000115546582	525014228	/nfs/dbraw/zinc/01/42/28/525014228.db2.gz	JLCSWBBUSSGTJS-UHFFFAOYSA-N	1	0	364.877	1.929	20	30		FDEDRO
C[NH+](C)CCNC(=O)Cn1cc(NC(=O)Nc2ccc(F)c(C#N)c2)cn1	ZINC000175829030	525014516	/nfs/dbraw/zinc/01/45/16/525014516.db2.gz	ASHOMATUWQBZRB-UHFFFAOYSA-N	1	0	373.392	1.216	20	30		FDEDRO
CCc1cc(N2CCC[C@H]([NH2+][C@H](C(N)=O)c3ccc(C#N)cc3)C2)ncn1	ZINC000115600199	525034122	/nfs/dbraw/zinc/03/41/22/525034122.db2.gz	ZSMYSYCTGWDGLL-HKUYNNGSSA-N	1	0	364.453	1.696	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000175980575	525039647	/nfs/dbraw/zinc/03/96/47/525039647.db2.gz	YPWOUUDUDHBJTK-UHFFFAOYSA-N	1	0	369.400	1.621	20	30		FDEDRO
C[NH+](C)C[C@](C)(O)CNC(=O)c1occc1COc1cccc(C#N)c1	ZINC000153073749	525101030	/nfs/dbraw/zinc/10/10/30/525101030.db2.gz	SIPHPTXASFGXDV-LJQANCHMSA-N	1	0	357.410	1.773	20	30		FDEDRO
CNC(=O)[C@H](C)C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC	ZINC000176384374	525113460	/nfs/dbraw/zinc/11/34/60/525113460.db2.gz	WEPPVRGVGYVXMN-CABCVRRESA-N	1	0	360.458	1.644	20	30		FDEDRO
N#Cc1c(Cl)cccc1S(=O)(=O)NCCCC[N@H+]1CCC[C@H]1CO	ZINC000161729320	525159615	/nfs/dbraw/zinc/15/96/15/525159615.db2.gz	YVVICMQKUCZRNQ-ZDUSSCGKSA-N	1	0	371.890	1.727	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)N[C@@H]1CCCN(c2ncccn2)C1	ZINC000176673157	525165388	/nfs/dbraw/zinc/16/53/88/525165388.db2.gz	DGJMKNLWDJTTBO-FPCVCCKLSA-N	1	0	358.490	1.424	20	30		FDEDRO
COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCCc2[nH]nc(N)c2C#N)cc1	ZINC000153321741	525178278	/nfs/dbraw/zinc/17/82/78/525178278.db2.gz	FRVMUHWGMQWJNE-GFCCVEGCSA-N	1	0	356.430	1.764	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000125485163	525204507	/nfs/dbraw/zinc/20/45/07/525204507.db2.gz	UPRFWMKIKSXMNT-GFCCVEGCSA-N	1	0	351.414	1.627	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1	ZINC000177063273	525229320	/nfs/dbraw/zinc/22/93/20/525229320.db2.gz	ZKUNWGNSSUSNNC-UXHICEINSA-N	1	0	370.497	1.874	20	30		FDEDRO
C[C@@H]1C[N@@H+](C[C@H](O)CN2CCN(c3ccccc3C#N)CC2)C[C@H](C)O1	ZINC000101587230	525235960	/nfs/dbraw/zinc/23/59/60/525235960.db2.gz	STXGIARXAMDJSX-ZIFCJYIRSA-N	1	0	358.486	1.150	20	30		FDEDRO
C[C@H](NC(=O)c1ccco1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000125803437	525239494	/nfs/dbraw/zinc/23/94/94/525239494.db2.gz	STCSPZCRBIQLNI-HNNXBMFYSA-N	1	0	368.437	1.860	20	30		FDEDRO
C[NH+]1CCN(Cc2ccc(C(=O)NC3(C#N)CCSCC3)cc2)CC1	ZINC000162351396	525248838	/nfs/dbraw/zinc/24/88/38/525248838.db2.gz	DINLEKPDFMKQQW-UHFFFAOYSA-N	1	0	358.511	1.953	20	30		FDEDRO
CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cccc(Cl)c1C#N	ZINC000125985013	525260935	/nfs/dbraw/zinc/26/09/35/525260935.db2.gz	XJNMSMGAKSBUGZ-LBPRGKRZSA-N	1	0	359.879	1.847	20	30		FDEDRO
CC[NH+]=C(NC[C@@H](O)c1ccc(F)cc1)N[C@H]1CCCn2nc(C)nc21	ZINC000153616361	525263868	/nfs/dbraw/zinc/26/38/68/525263868.db2.gz	XVZMQRFPGXZPTQ-JKSUJKDBSA-N	1	0	360.437	1.849	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000162542957	525275976	/nfs/dbraw/zinc/27/59/76/525275976.db2.gz	YVKNYPLSWMERRL-IRXDYDNUSA-N	1	0	350.507	1.038	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000162542825	525276412	/nfs/dbraw/zinc/27/64/12/525276412.db2.gz	YVKNYPLSWMERRL-SJORKVTESA-N	1	0	350.507	1.038	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1	ZINC000126125545	525276715	/nfs/dbraw/zinc/27/67/15/525276715.db2.gz	WNLSHLRUCZIXLH-PBHICJAKSA-N	1	0	363.483	1.010	20	30		FDEDRO
CC[N@H+](CCNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C(C)C	ZINC000102480329	525288555	/nfs/dbraw/zinc/28/85/55/525288555.db2.gz	HSDNDHLBURITPB-UHFFFAOYSA-N	1	0	366.487	1.025	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCN(c3cccc(OC)c3)C2=O)CC1	ZINC000117211689	525288483	/nfs/dbraw/zinc/28/84/83/525288483.db2.gz	JGUOCFUHISYCKS-LJQANCHMSA-N	1	0	369.465	1.652	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1	ZINC000153703671	525293738	/nfs/dbraw/zinc/29/37/38/525293738.db2.gz	TUEHORATRLEZNY-HNNXBMFYSA-N	1	0	358.442	1.766	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@H]1CCOC1	ZINC000162885288	525329078	/nfs/dbraw/zinc/32/90/78/525329078.db2.gz	OPUGPALJMNKNRT-JYJNAYRXSA-N	1	0	362.499	1.472	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(CCC(=O)Nc2cccc(C#N)c2)CC1	ZINC000103492500	525362075	/nfs/dbraw/zinc/36/20/75/525362075.db2.gz	GIHJUVAYTIUPMX-UHFFFAOYSA-N	1	0	371.485	1.373	20	30		FDEDRO
CN1c2ccccc2N(C)C1=C1C(=N)N(CCC[NH+]2CC=CC2)CC1=O	ZINC000154004153	525389598	/nfs/dbraw/zinc/38/95/98/525389598.db2.gz	PELFLSNTOLNMQH-UHFFFAOYSA-N	1	0	351.454	1.908	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](c2cccs2)N(C)C)CC1	ZINC000104154766	525398434	/nfs/dbraw/zinc/39/84/34/525398434.db2.gz	WVOZLJXNJYIUGZ-AWEZNQCLSA-N	1	0	367.519	1.876	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NC[C@H](c1ccc(Cl)cc1)N1CCOCC1	ZINC000104181808	525398689	/nfs/dbraw/zinc/39/86/89/525398689.db2.gz	ONNKFGMUGHCKFJ-XJKSGUPXSA-N	1	0	354.882	1.653	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H](CNC(=O)CNC(=O)c2ccc(C#N)cc2)C1	ZINC000127386809	525414160	/nfs/dbraw/zinc/41/41/60/525414160.db2.gz	KMUDJWDTMVHUHW-QGZVFWFLSA-N	1	0	356.470	1.772	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C	ZINC000105024792	525458183	/nfs/dbraw/zinc/45/81/83/525458183.db2.gz	TVRCIGNUYFMNIJ-KRWDZBQOSA-N	1	0	357.458	1.931	20	30		FDEDRO
CC[N@H+](CCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)C(C)C	ZINC000118118712	525463554	/nfs/dbraw/zinc/46/35/54/525463554.db2.gz	SXGHUSFODGOMBZ-UHFFFAOYSA-N	1	0	368.384	1.945	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)cn1	ZINC000154271778	525479821	/nfs/dbraw/zinc/47/98/21/525479821.db2.gz	GMYFEDRUUDSTOB-IEBWSBKVSA-N	1	0	350.422	1.566	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCN(c3ncccc3C#N)CC2)C1	ZINC000105275915	525486562	/nfs/dbraw/zinc/48/65/62/525486562.db2.gz	SIOKKGJPKUUOKQ-QGZVFWFLSA-N	1	0	370.501	1.905	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(CCC)[C@H]2CC[NH2+]C2)c1	ZINC000178882311	525499080	/nfs/dbraw/zinc/49/90/80/525499080.db2.gz	NZCLBAYRQZQBCS-HNNXBMFYSA-N	1	0	351.472	1.365	20	30		FDEDRO
CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000128318795	525526709	/nfs/dbraw/zinc/52/67/09/525526709.db2.gz	QSWATSAWOXMKQE-QGZVFWFLSA-N	1	0	371.485	1.571	20	30		FDEDRO
C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CC(=O)N(CCC#N)CCC#N)CC1	ZINC000118825259	525551819	/nfs/dbraw/zinc/55/18/19/525551819.db2.gz	LQWQSLXXPKJXNI-OALUTQOASA-N	1	0	374.533	1.133	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CNS(=O)(=O)c2cccs2)CC1	ZINC000106037763	525553889	/nfs/dbraw/zinc/55/38/89/525553889.db2.gz	BUIBBUSONXJIDJ-UHFFFAOYSA-N	1	0	357.501	1.183	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)NC)cc2)CC1	ZINC000106038975	525553947	/nfs/dbraw/zinc/55/39/47/525553947.db2.gz	PSAVNTTYKUXIIR-UHFFFAOYSA-N	1	0	351.472	1.365	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)cc1	ZINC000118896918	525577083	/nfs/dbraw/zinc/57/70/83/525577083.db2.gz	PFLHRJVCIFHVRW-UHFFFAOYSA-N	1	0	360.458	1.245	20	30		FDEDRO
C[NH+](C)CCCC1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1	ZINC000154582001	525579668	/nfs/dbraw/zinc/57/96/68/525579668.db2.gz	CCZUXYBPJOXLFD-UHFFFAOYSA-N	1	0	360.462	1.316	20	30		FDEDRO
CC[C@@H]1CN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC[N@@H+]1C[C@@H](C)O	ZINC000106102503	525588394	/nfs/dbraw/zinc/58/83/94/525588394.db2.gz	OJDQYJFWPJBDSG-IVMMDQJWSA-N	1	0	362.474	1.872	20	30		FDEDRO
CN([C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1)S(=O)(=O)CCCC#N	ZINC000167079053	525595283	/nfs/dbraw/zinc/59/52/83/525595283.db2.gz	BORNBDHACQRQRF-MSOLQXFVSA-N	1	0	370.563	1.889	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1	ZINC000154663517	525605206	/nfs/dbraw/zinc/60/52/06/525605206.db2.gz	GQUUXQOLOMWXIX-UHFFFAOYSA-N	1	0	358.486	1.797	20	30		FDEDRO
C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1	ZINC000179758705	525625198	/nfs/dbraw/zinc/62/51/98/525625198.db2.gz	IAVDWZCDTSVAPL-OAHLLOKOSA-N	1	0	372.469	1.275	20	30		FDEDRO
Cc1nc(CN2CCC[N@H+](CCC(=O)Nc3ccccc3C#N)CC2)no1	ZINC000106147435	525631998	/nfs/dbraw/zinc/63/19/98/525631998.db2.gz	YIPSJHTZKSOZBF-UHFFFAOYSA-N	1	0	368.441	1.786	20	30		FDEDRO
Cc1nc(CN2CCC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)CC2)no1	ZINC000106149582	525633409	/nfs/dbraw/zinc/63/34/09/525633409.db2.gz	BLLFJIAFVXLCRI-UHFFFAOYSA-N	1	0	368.441	1.786	20	30		FDEDRO
Cn1ccnc1CC1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000106164923	525646732	/nfs/dbraw/zinc/64/67/32/525646732.db2.gz	RSHJHTGNPQIHFJ-GOSISDBHSA-N	1	0	354.454	1.986	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)cn1	ZINC000170653888	525660749	/nfs/dbraw/zinc/66/07/49/525660749.db2.gz	IWHFZXCRHCTUBD-UHFFFAOYSA-N	1	0	356.451	1.896	20	30		FDEDRO
C#CCOc1ccc(C[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)cc1	ZINC000129517161	525662949	/nfs/dbraw/zinc/66/29/49/525662949.db2.gz	HXHWQKNIVZSZTA-OAHLLOKOSA-N	1	0	365.476	1.685	20	30		FDEDRO
C=C[C@H](C)NC(=O)C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000119233168	525678354	/nfs/dbraw/zinc/67/83/54/525678354.db2.gz	DJTQKBRUASMMKW-DOTOQJQBSA-N	1	0	367.453	1.959	20	30		FDEDRO
COc1ccc(C[NH+]2CCC(CNC(=O)N3CCO[C@@H](C#N)C3)CC2)cc1	ZINC000106336251	525695146	/nfs/dbraw/zinc/69/51/46/525695146.db2.gz	ZTTUGOIXHUUPLM-IBGZPJMESA-N	1	0	372.469	1.841	20	30		FDEDRO
N#CCCCCS(=O)(=O)N1CCC(CCC[NH+]2CCOCC2)CC1	ZINC000180466271	525710773	/nfs/dbraw/zinc/71/07/73/525710773.db2.gz	LVAYZBPEIZWMIU-UHFFFAOYSA-N	1	0	357.520	1.834	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000180522360	525716651	/nfs/dbraw/zinc/71/66/51/525716651.db2.gz	BDWMTMAXUZJFCC-CQSZACIVSA-N	1	0	366.487	1.350	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@H](O)COc1ccc(CC#N)cc1	ZINC000119406944	525736487	/nfs/dbraw/zinc/73/64/87/525736487.db2.gz	VKERIBBRFLLNQC-HNNXBMFYSA-N	1	0	368.441	1.234	20	30		FDEDRO
[NH2+]=C(NCc1ccccc1OCCN1CCOCC1)Nc1ccccn1	ZINC000170911478	525766949	/nfs/dbraw/zinc/76/69/49/525766949.db2.gz	YEPPDHWGHALXHU-UHFFFAOYSA-N	1	0	355.442	1.719	20	30		FDEDRO
CCc1cccc(NC(=[NH2+])NC[C@@H](O)CS(=O)(=O)c2cccs2)c1	ZINC000130778205	525795048	/nfs/dbraw/zinc/79/50/48/525795048.db2.gz	FBSMLQVAMPFSLR-CQSZACIVSA-N	1	0	367.496	1.872	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1	ZINC000130786428	525795896	/nfs/dbraw/zinc/79/58/96/525795896.db2.gz	YQKOPXXCENOFIX-MRXNPFEDSA-N	1	0	350.507	1.965	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000181153513	525813174	/nfs/dbraw/zinc/81/31/74/525813174.db2.gz	YOGKWRDFHQZVAW-UHFFFAOYSA-N	1	0	355.442	1.078	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)C2)CC1	ZINC000106893881	525816268	/nfs/dbraw/zinc/81/62/68/525816268.db2.gz	SARSUDNMNMXDJL-HNNXBMFYSA-N	1	0	366.462	1.098	20	30		FDEDRO
CC[NH+](CC)CCN(C(=O)c1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000131051128	525823352	/nfs/dbraw/zinc/82/33/52/525823352.db2.gz	DFUFGFMKLUHQDU-QGZVFWFLSA-N	1	0	363.483	1.529	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)c1ccccc1	ZINC000171106032	525847768	/nfs/dbraw/zinc/84/77/68/525847768.db2.gz	UASORJNIHUUHFS-GOSISDBHSA-N	1	0	350.422	1.707	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[NH+](CC(C)(C)O)CC2)c1	ZINC000171154634	525875495	/nfs/dbraw/zinc/87/54/95/525875495.db2.gz	JSEXOJRORPUZLZ-UHFFFAOYSA-N	1	0	372.513	1.939	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1CCOc1ccccc1[N+](=O)[O-]	ZINC000155509185	525887204	/nfs/dbraw/zinc/88/72/04/525887204.db2.gz	OXQSRXRCRUVQDG-AWEZNQCLSA-N	1	0	368.397	1.846	20	30		FDEDRO
COc1ccc(CN2CCN(c3nccnc3C#N)C[C@@H]2C)cc1[N+](=O)[O-]	ZINC000155612109	525921701	/nfs/dbraw/zinc/92/17/01/525921701.db2.gz	IOIMJQPOIAFFIL-ZDUSSCGKSA-N	1	0	368.397	1.976	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1CNS(=O)(=O)c1ccc(C#N)cc1	ZINC000119977101	525924845	/nfs/dbraw/zinc/92/48/45/525924845.db2.gz	NMEQLZJXCMNYGH-UHFFFAOYSA-N	1	0	359.451	1.977	20	30		FDEDRO
CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N(C)[C@H](C)CC#N)c2)CC1	ZINC000132196537	525945114	/nfs/dbraw/zinc/94/51/14/525945114.db2.gz	GXFSAIXPJAFBTL-MRXNPFEDSA-N	1	0	371.485	1.916	20	30		FDEDRO
C[C@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(C#N)cc1	ZINC000181948358	525994008	/nfs/dbraw/zinc/99/40/08/525994008.db2.gz	RPVVQNHGKVMDBP-WMLDXEAASA-N	1	0	351.472	1.697	20	30		FDEDRO
C[C@@H]([NH2+][C@@H](CC(N)=O)C1CCOCC1)C(=O)N(CCC#N)c1ccccc1	ZINC000181962315	526001178	/nfs/dbraw/zinc/00/11/78/526001178.db2.gz	QFKOYJOJSLJIOY-QAPCUYQASA-N	1	0	372.469	1.582	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCCN(c3cccnn3)CC2)CC1	ZINC000120229193	526001605	/nfs/dbraw/zinc/00/16/05/526001605.db2.gz	JTZKVGDLLCCHAY-UHFFFAOYSA-N	1	0	358.490	1.739	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)O1	ZINC000182107298	526057030	/nfs/dbraw/zinc/05/70/30/526057030.db2.gz	GYYQRIDKAYSECJ-PMACEKPBSA-N	1	0	370.497	1.748	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2ccc(F)c(-n3nnnc3C)c2)CC1	ZINC000171640447	526061114	/nfs/dbraw/zinc/06/11/14/526061114.db2.gz	GUVWGSSFCTWFDS-UHFFFAOYSA-N	1	0	359.409	1.882	20	30		FDEDRO
C[C@H](CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)[NH+]1CCCCC1	ZINC000182151046	526074861	/nfs/dbraw/zinc/07/48/61/526074861.db2.gz	KDYRRHMMCRRGAB-CQSZACIVSA-N	1	0	374.489	1.829	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCN(c3ccccc3C#N)C2)CC1	ZINC000109117992	526075029	/nfs/dbraw/zinc/07/50/29/526075029.db2.gz	DRMSZZJNRWZCRK-LJQANCHMSA-N	1	0	350.466	1.988	20	30		FDEDRO
N#CC1(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCOCC1	ZINC000109138409	526080249	/nfs/dbraw/zinc/08/02/49/526080249.db2.gz	XPTJPZOHYNSKEK-UHFFFAOYSA-N	1	0	356.470	1.241	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CNC(=O)NCc2ccc(Cl)cc2)CC1	ZINC000171715260	526089713	/nfs/dbraw/zinc/08/97/13/526089713.db2.gz	NKVNRKLDXKUSRQ-UHFFFAOYSA-N	1	0	364.877	1.906	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CCc2c(C)nc3cc(=O)[nH]n3c2C)CC1	ZINC000171717064	526091547	/nfs/dbraw/zinc/09/15/47/526091547.db2.gz	VHFCLVRNZQXGGO-UHFFFAOYSA-N	1	0	357.458	1.751	20	30		FDEDRO
Cc1nn(C)c(C)c1CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000133969484	526111799	/nfs/dbraw/zinc/11/17/99/526111799.db2.gz	SDHIIRSEAUVGHG-CQSZACIVSA-N	1	0	362.478	1.417	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCN(C(=O)C[NH+](C)C)CC1	ZINC000120580354	526114398	/nfs/dbraw/zinc/11/43/98/526114398.db2.gz	BGKOHQHLKICVNC-IBGZPJMESA-N	1	0	372.469	1.194	20	30		FDEDRO
CCOC(=O)CN(C)C(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000109827788	526193219	/nfs/dbraw/zinc/19/32/19/526193219.db2.gz	XONFINKQMSWYDU-UHFFFAOYSA-N	1	0	372.469	1.087	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)CC1	ZINC000182727904	535852950	/nfs/dbraw/zinc/85/29/50/535852950.db2.gz	IZQIOMZNKKDKQF-QGZVFWFLSA-N	1	0	357.458	1.527	20	30		FDEDRO
CC[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1cccc(S(N)(=O)=O)c1	ZINC000183021833	535905448	/nfs/dbraw/zinc/90/54/48/535905448.db2.gz	QIAUHMAZPVFORU-WBVHZDCISA-N	1	0	364.471	1.183	20	30		FDEDRO
CC[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1cccc(S(N)(=O)=O)c1	ZINC000183021850	535905997	/nfs/dbraw/zinc/90/59/97/535905997.db2.gz	QIAUHMAZPVFORU-DOTOQJQBSA-N	1	0	364.471	1.183	20	30		FDEDRO
CCC[N@H+](CCO)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000183161250	535932007	/nfs/dbraw/zinc/93/20/07/535932007.db2.gz	UXYCPQMSGOQTSG-SFHVURJKSA-N	1	0	362.449	1.239	20	30		FDEDRO
COC[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C1CC1	ZINC000183442702	535982234	/nfs/dbraw/zinc/98/22/34/535982234.db2.gz	UBOLVDKQVBRUMP-MOPGFXCFSA-N	1	0	374.460	1.549	20	30		FDEDRO
CNC(=O)[C@@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(C)C	ZINC000183666857	536026125	/nfs/dbraw/zinc/02/61/25/536026125.db2.gz	LQIZWDMLRBCPLJ-INIZCTEOSA-N	1	0	369.387	1.533	20	30		FDEDRO
C[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1Cl)N1CC[NH+](C)CC1	ZINC000183719096	536036198	/nfs/dbraw/zinc/03/61/98/536036198.db2.gz	ORKBNEDIHUXSQB-LBPRGKRZSA-N	1	0	356.879	1.126	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH2+][C@H](CO)c1cccc(Br)c1	ZINC000183916407	536066125	/nfs/dbraw/zinc/06/61/25/536066125.db2.gz	WPWJRGXCMYCRKV-CQSZACIVSA-N	1	0	354.248	1.834	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(CC[NH3+])Cc1ccccc1	ZINC000184169261	536106796	/nfs/dbraw/zinc/10/67/96/536106796.db2.gz	QBQMYBKHWCDDBQ-UHFFFAOYSA-N	1	0	352.438	1.784	20	30		FDEDRO
CC[N@H+](CCO)CCNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000184340697	536136880	/nfs/dbraw/zinc/13/68/80/536136880.db2.gz	TXPYJCFTMAJKGG-UHFFFAOYSA-N	1	0	365.377	1.170	20	30		FDEDRO
C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)/C=C/c1ccc(OCC#N)cc1	ZINC000184406390	536146268	/nfs/dbraw/zinc/14/62/68/536146268.db2.gz	WFVVSKAMIMQCIE-JZLODUJNSA-N	1	0	356.470	1.744	20	30		FDEDRO
C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000185434375	536208527	/nfs/dbraw/zinc/20/85/27/536208527.db2.gz	RSNJXMYAGDLUEB-UHFFFAOYSA-N	1	0	350.488	1.253	20	30		FDEDRO
C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)N1CCN(C)CC1	ZINC000185581190	536212637	/nfs/dbraw/zinc/21/26/37/536212637.db2.gz	ODDZCIDSTKZGAA-QGZVFWFLSA-N	1	0	357.502	1.084	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)NCC[N@@H+]1CCCOCC1	ZINC000186842006	536246080	/nfs/dbraw/zinc/24/60/80/536246080.db2.gz	ICMNYRHOJFTOAV-UHFFFAOYSA-N	1	0	362.499	1.813	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C	ZINC000186878654	536247215	/nfs/dbraw/zinc/24/72/15/536247215.db2.gz	SCTTXFJJNWGHTM-CYBMUJFWSA-N	1	0	374.485	1.100	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1	ZINC000187221063	536258231	/nfs/dbraw/zinc/25/82/31/536258231.db2.gz	FGSGNSHGWZZLKN-SJORKVTESA-N	1	0	369.465	1.970	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCCC1	ZINC000187639322	536270637	/nfs/dbraw/zinc/27/06/37/536270637.db2.gz	CZTPETNFOATDTE-QGZVFWFLSA-N	1	0	357.454	1.874	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1	ZINC000187679556	536271500	/nfs/dbraw/zinc/27/15/00/536271500.db2.gz	IXGIDQIBWVFHQM-HZPDHXFCSA-N	1	0	357.454	1.874	20	30		FDEDRO
CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000188248803	536287126	/nfs/dbraw/zinc/28/71/26/536287126.db2.gz	SMHTZUAIZMDBGT-UHFFFAOYSA-N	1	0	360.462	1.391	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN([C@@H](C(=O)OC)c3cccc(C#N)c3)C2)CC1	ZINC000246256309	536911694	/nfs/dbraw/zinc/91/16/94/536911694.db2.gz	FWEQHYIAAXGEMA-RTBURBONSA-N	1	0	356.470	1.484	20	30		FDEDRO
[NH2+]=C(NC[C@@H]1CCCN(c2nccn3cnnc23)C1)NC1CCCCC1	ZINC000263270188	537005456	/nfs/dbraw/zinc/00/54/56/537005456.db2.gz	OSKSYJWZTSKDDJ-AWEZNQCLSA-N	1	0	356.478	1.578	20	30		FDEDRO
C[C@H]1C[N@H+](CC(C)(C)O)CCN1CC(=O)N(CCC#N)c1ccccc1	ZINC000189447261	537048493	/nfs/dbraw/zinc/04/84/93/537048493.db2.gz	BRYJWLTZTBGOPL-KRWDZBQOSA-N	1	0	358.486	1.710	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000246939569	537054567	/nfs/dbraw/zinc/05/45/67/537054567.db2.gz	LLIQMJLOPXRABY-ZWKOTPCHSA-N	1	0	352.438	1.510	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)CC1	ZINC000263773152	537095477	/nfs/dbraw/zinc/09/54/77/537095477.db2.gz	TWONIMMXUHWTCJ-GOSISDBHSA-N	1	0	372.444	1.893	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)CCCO2	ZINC000189998851	537125547	/nfs/dbraw/zinc/12/55/47/537125547.db2.gz	TYCBMOCINNCUSO-UHFFFAOYSA-N	1	0	358.442	1.644	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C	ZINC000247560144	537134209	/nfs/dbraw/zinc/13/42/09/537134209.db2.gz	FWYLSPAWUZGMMG-RDBSUJKOSA-N	1	0	364.877	1.926	20	30		FDEDRO
C[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)COCc1ccccc1	ZINC000264101846	537137251	/nfs/dbraw/zinc/13/72/51/537137251.db2.gz	OKUNUVFPOOMDBN-QGZVFWFLSA-N	1	0	368.485	1.766	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1	ZINC000264553458	537145615	/nfs/dbraw/zinc/14/56/15/537145615.db2.gz	KDJVHIQNUFRSLE-CABCVRRESA-N	1	0	360.433	1.797	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[N@H+](CCO)CCOCC(F)(F)F	ZINC000265850030	537177183	/nfs/dbraw/zinc/17/71/83/537177183.db2.gz	PSTDPOVHFMKOOO-UHFFFAOYSA-N	1	0	362.348	1.819	20	30		FDEDRO
C=CCN(CCOC)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000191083761	537197320	/nfs/dbraw/zinc/19/73/20/537197320.db2.gz	CWMLMYOCDGPJIB-UHFFFAOYSA-N	1	0	353.507	1.272	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H](C)C#N)cc(N2CC[NH+](C(C)C)CC2)c1	ZINC000192115098	537220734	/nfs/dbraw/zinc/22/07/34/537220734.db2.gz	MBSFNVHQTWPLKN-MRXNPFEDSA-N	1	0	371.485	1.740	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1	ZINC000192150227	537221203	/nfs/dbraw/zinc/22/12/03/537221203.db2.gz	XFNRLBYBZLFPFM-CZUORRHYSA-N	1	0	364.833	1.213	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000248991063	537224443	/nfs/dbraw/zinc/22/44/43/537224443.db2.gz	HEZDZBYBDAFJCO-ROUUACIJSA-N	1	0	354.454	1.650	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC(S(=O)(=O)CC)CC2)CC1	ZINC000192478613	537224657	/nfs/dbraw/zinc/22/46/57/537224657.db2.gz	ILCGZVVVPNZYNS-UHFFFAOYSA-N	1	0	357.520	1.636	20	30		FDEDRO
C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000193438237	537247758	/nfs/dbraw/zinc/24/77/58/537247758.db2.gz	ACJPKCJSMNWJNH-CVEARBPZSA-N	1	0	371.485	1.996	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)CC1	ZINC000193439920	537247986	/nfs/dbraw/zinc/24/79/86/537247986.db2.gz	JAPYAHSBMIMIGC-CALCHBBNSA-N	1	0	361.486	1.657	20	30		FDEDRO
CC[NH+](CC)CCCN1CCN(S(=O)(=O)c2ccccc2C#N)CC1	ZINC000193465420	537248562	/nfs/dbraw/zinc/24/85/62/537248562.db2.gz	NEYPKBNBKCETCH-UHFFFAOYSA-N	1	0	364.515	1.596	20	30		FDEDRO
C[NH+]=C(NCc1ccc(-n2nc(C)cc2C)nc1)N1CCO[C@H](COC)C1	ZINC000261991387	537253602	/nfs/dbraw/zinc/25/36/02/537253602.db2.gz	SLLRVRVGROXENZ-KRWDZBQOSA-N	1	0	372.473	1.307	20	30		FDEDRO
C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000194146796	537259284	/nfs/dbraw/zinc/25/92/84/537259284.db2.gz	IPYKKHPTTXCJDD-INIZCTEOSA-N	1	0	356.474	1.659	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCc3c(nnn3CCOC)C2)CC1	ZINC000292966852	537261545	/nfs/dbraw/zinc/26/15/45/537261545.db2.gz	GXJHOHRZJKARSA-UHFFFAOYSA-N	1	0	362.478	1.033	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1	ZINC000282520855	537326545	/nfs/dbraw/zinc/32/65/45/537326545.db2.gz	ACUXEQXKYPMPBY-SWLSCSKDSA-N	1	0	358.895	1.869	20	30		FDEDRO
CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@]3(C#N)CC34CCCC4)CC2)C1	ZINC000333546465	537349218	/nfs/dbraw/zinc/34/92/18/537349218.db2.gz	LWGLWMRIOWEGCK-WIYYLYMNSA-N	1	0	374.529	1.714	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCSC[C@H]2C2CCC2)CC1	ZINC000333606359	537349870	/nfs/dbraw/zinc/34/98/70/537349870.db2.gz	XJGWPQJBLRLBIB-ROUUACIJSA-N	1	0	364.559	1.896	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C	ZINC000283181615	537358339	/nfs/dbraw/zinc/35/83/39/537358339.db2.gz	DZODRUZZXCFRHG-KSZLIROESA-N	1	0	359.470	1.503	20	30		FDEDRO
COC(=O)c1cn([C@@H]2CC[N@H+](Cc3ccc(O[C@@H](C)C#N)cc3)C2)nn1	ZINC000363908485	537360466	/nfs/dbraw/zinc/36/04/66/537360466.db2.gz	OFYBGFFFBVJHAA-DZGCQCFKSA-N	1	0	355.398	1.803	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1	ZINC000363962808	537377454	/nfs/dbraw/zinc/37/74/54/537377454.db2.gz	KKGNTRZVPCBGKO-QZTJIDSGSA-N	1	0	354.454	1.650	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1=O	ZINC000348391308	537383543	/nfs/dbraw/zinc/38/35/43/537383543.db2.gz	QLBHNBWNXUKVNX-SFHVURJKSA-N	1	0	373.453	1.266	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(OC(F)F)cc2)CC1	ZINC000283832215	537388545	/nfs/dbraw/zinc/38/85/45/537388545.db2.gz	BXQAOEZTGFPARF-UHFFFAOYSA-N	1	0	367.396	1.671	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCOC(C)(C)C1)C(C)C	ZINC000283897985	537389805	/nfs/dbraw/zinc/38/98/05/537389805.db2.gz	FRQDJEKNYSLMBI-SJORKVTESA-N	1	0	365.518	1.875	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@H](COCC)C1)C(C)C	ZINC000283887635	537389907	/nfs/dbraw/zinc/38/99/07/537389907.db2.gz	FDOJJELJGOUYCG-ZWKOTPCHSA-N	1	0	365.518	1.686	20	30		FDEDRO
C=CCCCS(=O)(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000293283920	537407000	/nfs/dbraw/zinc/40/70/00/537407000.db2.gz	HVARVHHUBYULLL-UHFFFAOYSA-N	1	0	353.488	1.364	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1	ZINC000293391710	537439695	/nfs/dbraw/zinc/43/96/95/537439695.db2.gz	LVBATLYNKRNROA-JTQLQIEISA-N	1	0	365.231	1.327	20	30		FDEDRO
C#CCCCCNC(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1	ZINC000287856229	537446679	/nfs/dbraw/zinc/44/66/79/537446679.db2.gz	CUIJDLDHWUTHOP-UHFFFAOYSA-N	1	0	372.469	1.825	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(N2CCC(C)CC2)cc1	ZINC000293467570	537476174	/nfs/dbraw/zinc/47/61/74/537476174.db2.gz	UOYFUDWYLLXEFP-UHFFFAOYSA-N	1	0	370.497	1.933	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000293474105	537479908	/nfs/dbraw/zinc/47/99/08/537479908.db2.gz	VDWXHMIETHQKKZ-UHFFFAOYSA-N	1	0	352.778	1.258	20	30		FDEDRO
C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CC(=O)NCc2ccc(C#N)cc2)C[C@H](C)O1	ZINC000299249518	537510532	/nfs/dbraw/zinc/51/05/32/537510532.db2.gz	ATYPKHXLEDQCSN-QKLQHJQFSA-N	1	0	370.497	1.748	20	30		FDEDRO
CNC(=O)[C@]1(C)CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000281211426	537514327	/nfs/dbraw/zinc/51/43/27/537514327.db2.gz	SLTBXMQLTOUNNY-GOSISDBHSA-N	1	0	360.483	1.895	20	30		FDEDRO
C=C(C)Cn1c(CC(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000291108578	537529228	/nfs/dbraw/zinc/52/92/28/537529228.db2.gz	UUGQJJVGKOEWFN-QGZVFWFLSA-N	1	0	374.533	1.796	20	30		FDEDRO
C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000293634745	537544794	/nfs/dbraw/zinc/54/47/94/537544794.db2.gz	ZMHJKCCSZHYPLS-BRWVUGGUSA-N	1	0	357.458	1.989	20	30		FDEDRO
C#CCN(C)C(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1	ZINC000291250270	537548160	/nfs/dbraw/zinc/54/81/60/537548160.db2.gz	LXEHHMXPSJPSMD-UHFFFAOYSA-N	1	0	359.470	1.951	20	30		FDEDRO
C=CCC[N@@H+](C)CC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O	ZINC000276508762	537560491	/nfs/dbraw/zinc/56/04/91/537560491.db2.gz	XFHAXIUCTRHCRU-SFHVURJKSA-N	1	0	360.414	1.001	20	30		FDEDRO
C=C[C@H](CO)NC(=O)NCc1ccc(OCC[NH+](CC)CC)c(OC)c1	ZINC000291403001	537580952	/nfs/dbraw/zinc/58/09/52/537580952.db2.gz	XIMWGTCVOYBFFH-MRXNPFEDSA-N	1	0	365.474	1.762	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)NCC3CCC(C#N)CC3)cn2)CC1	ZINC000281921783	537591815	/nfs/dbraw/zinc/59/18/15/537591815.db2.gz	RXHBIEBZBBJIEP-UHFFFAOYSA-N	1	0	370.501	1.963	20	30		FDEDRO
CCOCCCNC(=[NH2+])NC[C@H]1CCN(c2cc(OC)cc(OC)c2)C1	ZINC000305009370	537598050	/nfs/dbraw/zinc/59/80/50/537598050.db2.gz	JXKXEQDAVGWOAO-OAHLLOKOSA-N	1	0	364.490	1.861	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]([NH3+])C(C)(C)C)c1	ZINC000237089572	537610154	/nfs/dbraw/zinc/61/01/54/537610154.db2.gz	UUDGXMAKERXWIP-NPQOUYBPSA-N	1	0	366.487	1.811	20	30		FDEDRO
CO/N=C/c1ccc(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1	ZINC000237111135	537612577	/nfs/dbraw/zinc/61/25/77/537612577.db2.gz	OJYGTKNBDJFCFE-KJGSPOTJSA-N	1	0	372.469	1.387	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3COc4ccccc4O3)CC2)C1=O	ZINC000329165378	537634563	/nfs/dbraw/zinc/63/45/63/537634563.db2.gz	HMVZXRVDEXHAEI-YOEHRIQHSA-N	1	0	359.426	1.478	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1	ZINC000289957210	537635542	/nfs/dbraw/zinc/63/55/42/537635542.db2.gz	YXSZWEXEQARRFB-INIZCTEOSA-N	1	0	371.481	1.976	20	30		FDEDRO
C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1	ZINC000329178974	537635865	/nfs/dbraw/zinc/63/58/65/537635865.db2.gz	CXBGOQWQHWRZPU-BFYDXBDKSA-N	1	0	373.519	1.101	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000237729039	537638140	/nfs/dbraw/zinc/63/81/40/537638140.db2.gz	MCWSLVFLHNZHJN-UHFFFAOYSA-N	1	0	351.472	1.040	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1OCC	ZINC000294002556	537638798	/nfs/dbraw/zinc/63/87/98/537638798.db2.gz	OWTNSLYMWZHPCM-GOSISDBHSA-N	1	0	371.481	1.761	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000291610961	537642032	/nfs/dbraw/zinc/64/20/32/537642032.db2.gz	JMSSGLLECHGXSX-INIZCTEOSA-N	1	0	361.446	1.084	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl	ZINC000294022509	537642851	/nfs/dbraw/zinc/64/28/51/537642851.db2.gz	QSIPXKBAIWDTSB-UHFFFAOYSA-N	1	0	371.890	1.275	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(C)[C@@H](c2nccn2C)C1	ZINC000329959140	537647647	/nfs/dbraw/zinc/64/76/47/537647647.db2.gz	NBUFRQRHKQICOE-IXDOHACOSA-N	1	0	362.522	1.743	20	30		FDEDRO
CN(C(=O)C[NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O)C1(C#N)CCCCC1	ZINC000331194331	537665083	/nfs/dbraw/zinc/66/50/83/537665083.db2.gz	RKPHVXCJVKJVDW-LSDHHAIUSA-N	1	0	370.519	1.121	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2	ZINC000295077614	537710337	/nfs/dbraw/zinc/71/03/37/537710337.db2.gz	DPTDYMKGXFHKFN-SFHVURJKSA-N	1	0	358.486	1.817	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCCOc2ccc(F)cc2)CC1	ZINC000285612419	537737060	/nfs/dbraw/zinc/73/70/60/537737060.db2.gz	AONPUQSASJAYTR-UHFFFAOYSA-N	1	0	363.433	1.477	20	30		FDEDRO
N#C[C@H](C(=O)CN1CC[C@@H](O)C12CCCC2)c1nc2ccccc2c(=O)[nH]1	ZINC000292609195	537748173	/nfs/dbraw/zinc/74/81/73/537748173.db2.gz	FFCDQZOSVKNKMI-RHSMWYFYSA-N	1	0	366.421	1.891	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NCCC[C@@H]2CCC[NH2+]2)C[C@]12C(=O)Nc1ccccc12	ZINC000418761432	537763432	/nfs/dbraw/zinc/76/34/32/537763432.db2.gz	FZGHUFXNKMGKSL-SIFCLUCFSA-N	1	0	367.453	1.574	20	30		FDEDRO
C#CCSCCNC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1	ZINC000371195532	537773196	/nfs/dbraw/zinc/77/31/96/537773196.db2.gz	NBMCBBLHZUADTL-UHFFFAOYSA-N	1	0	352.548	1.553	20	30		FDEDRO
C=CC[N@@H+](C)CCN(CC)CC(=O)N1CCN(C(=O)c2ccco2)CC1	ZINC000411643116	537812351	/nfs/dbraw/zinc/81/23/51/537812351.db2.gz	OODDHUPLUDNOGF-UHFFFAOYSA-N	1	0	362.474	1.004	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1	ZINC000416418475	537835491	/nfs/dbraw/zinc/83/54/91/537835491.db2.gz	QUHQSCJIITYJSE-MRXNPFEDSA-N	1	0	365.499	1.889	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCSCc1ccccc1C#N	ZINC000418917815	537847008	/nfs/dbraw/zinc/84/70/08/537847008.db2.gz	IHRDUMDNGHAXSW-YOEHRIQHSA-N	1	0	374.510	1.636	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C	ZINC000409482997	537851906	/nfs/dbraw/zinc/85/19/06/537851906.db2.gz	HPJURARKKZBAAC-VYDXJSESSA-N	1	0	352.504	1.994	20	30		FDEDRO
C[NH+](C)CC(C)(C)NS(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000416511465	537871200	/nfs/dbraw/zinc/87/12/00/537871200.db2.gz	XLBUFXQYNJCOHG-UHFFFAOYSA-N	1	0	360.277	1.939	20	30		FDEDRO
C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)n1cnc(C#N)n1	ZINC000409806792	537876942	/nfs/dbraw/zinc/87/69/42/537876942.db2.gz	JBGRAPPPEWTLAV-INMHGKMJSA-N	1	0	352.442	1.880	20	30		FDEDRO
C=C(CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1	ZINC000376762941	537903964	/nfs/dbraw/zinc/90/39/64/537903964.db2.gz	HNINWMADMAEXRJ-IBGZPJMESA-N	1	0	358.486	1.406	20	30		FDEDRO
Cc1oc(NC(=O)C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)c(C#N)c1C	ZINC000372693274	538002536	/nfs/dbraw/zinc/00/25/36/538002536.db2.gz	IZCDYKWQRIIZTR-DLBZAZTESA-N	1	0	360.458	1.940	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C	ZINC000415420011	538038519	/nfs/dbraw/zinc/03/85/19/538038519.db2.gz	AIRDBZVTURRSAO-CQSZACIVSA-N	1	0	362.430	1.012	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC[C@H]1[NH3+]	ZINC000415431390	538045848	/nfs/dbraw/zinc/04/58/48/538045848.db2.gz	GIRJHLHLFFDMKV-TVQRCGJNSA-N	1	0	365.231	1.455	20	30		FDEDRO
C[NH2+]CCC1CCN(C(=O)C(=O)N[C@H](CCC#N)c2ccccc2)CC1	ZINC000419483134	538076127	/nfs/dbraw/zinc/07/61/27/538076127.db2.gz	ZEMJJIBNAOTERS-GOSISDBHSA-N	1	0	356.470	1.996	20	30		FDEDRO
Cc1cc(S(=O)(=O)N2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)ccc1C#N	ZINC000373049487	538086956	/nfs/dbraw/zinc/08/69/56/538086956.db2.gz	NVIRIOZZENRPER-IRXDYDNUSA-N	1	0	363.483	1.477	20	30		FDEDRO
COCC1(CNC(=O)N(C)CCOCc2ccc(C#N)cc2)CC[NH2+]CC1	ZINC000418650695	538097979	/nfs/dbraw/zinc/09/79/79/538097979.db2.gz	XANVAUWMVKRFDV-UHFFFAOYSA-N	1	0	374.485	1.732	20	30		FDEDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cn(CCCC#N)c2ccccc12	ZINC000444231115	538134141	/nfs/dbraw/zinc/13/41/41/538134141.db2.gz	CLTWKLRINCZESL-INIZCTEOSA-N	1	0	353.470	1.921	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)C[C@@H]1C[NH3+]	ZINC000423712992	538145633	/nfs/dbraw/zinc/14/56/33/538145633.db2.gz	UYGTYWWPHWAFRB-SPUZQDLCSA-N	1	0	354.454	1.195	20	30		FDEDRO
C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cnn(CCC#N)c1-c1ccccc1	ZINC000420003758	538184630	/nfs/dbraw/zinc/18/46/30/538184630.db2.gz	VPRXZIBSKFLSKJ-HXUWFJFHSA-N	1	0	369.469	1.896	20	30		FDEDRO
CCC(=O)N1CC[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1	ZINC000433335488	538225442	/nfs/dbraw/zinc/22/54/42/538225442.db2.gz	PSKPLXBZPJDYBZ-KRWDZBQOSA-N	1	0	352.442	1.959	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)cc1	ZINC000424072074	538230254	/nfs/dbraw/zinc/23/02/54/538230254.db2.gz	WTOJOCUPAPUBTA-HNNXBMFYSA-N	1	0	369.429	1.762	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1	ZINC000424092474	538233087	/nfs/dbraw/zinc/23/30/87/538233087.db2.gz	GYQQGUHOGCXSMJ-MRXNPFEDSA-N	1	0	361.421	1.959	20	30		FDEDRO
COc1ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc1-n1nnnc1C1CC1	ZINC000424117357	538239022	/nfs/dbraw/zinc/23/90/22/538239022.db2.gz	BKFOXFJOZYXGSC-CYBMUJFWSA-N	1	0	355.402	1.508	20	30		FDEDRO
Cc1nc(NC(=O)[C@@H]([NH3+])CCCC#N)ccc1I	ZINC000424182439	538250170	/nfs/dbraw/zinc/25/01/70/538250170.db2.gz	ZGTNLDRXYCAYQR-JTQLQIEISA-N	1	0	358.183	1.954	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1CCN(C2CC[NH+](C(C)C)CC2)CC1	ZINC000441067023	538306721	/nfs/dbraw/zinc/30/67/21/538306721.db2.gz	RWOSSJDPILFIDQ-UHFFFAOYSA-N	1	0	350.551	1.901	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1	ZINC000442305314	538361741	/nfs/dbraw/zinc/36/17/41/538361741.db2.gz	MLFQRKLCUNKENA-UHFFFAOYSA-N	1	0	372.347	1.511	20	30		FDEDRO
C=CCN(C(=O)C[C@@H]1C[NH2+]CCO1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000430528288	538389309	/nfs/dbraw/zinc/38/93/09/538389309.db2.gz	XMAXPTGPISDCNC-WMLDXEAASA-N	1	0	356.430	1.116	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)cc1F	ZINC000421367345	538398239	/nfs/dbraw/zinc/39/82/39/538398239.db2.gz	SOJRFPJDCJBJHG-HNNXBMFYSA-N	1	0	355.435	1.275	20	30		FDEDRO
C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1	ZINC000423525376	538398753	/nfs/dbraw/zinc/39/87/53/538398753.db2.gz	KLJKCBRLJXNIGC-SNRMKQJTSA-N	1	0	368.481	1.871	20	30		FDEDRO
C[NH+]1CCC(NC(=O)COc2ccc(C#N)c(Br)c2)CC1	ZINC000449138648	538419708	/nfs/dbraw/zinc/41/97/08/538419708.db2.gz	IPBWLQVXVOLFOW-UHFFFAOYSA-N	1	0	352.232	1.910	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1	ZINC000438196536	538421123	/nfs/dbraw/zinc/42/11/23/538421123.db2.gz	GXQJQDPWAMRSET-KURKYZTESA-N	1	0	352.523	1.539	20	30		FDEDRO
C=CCC[C@H](CO)NC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1	ZINC000457728355	538512232	/nfs/dbraw/zinc/51/22/32/538512232.db2.gz	YFDPIYCCBQMDPG-WOJBJXKFSA-N	1	0	374.529	1.992	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(O)(C(=O)OCC)CC1	ZINC000494579685	538566812	/nfs/dbraw/zinc/56/68/12/538566812.db2.gz	NUVXCMUYBKXFTE-KRWDZBQOSA-N	1	0	363.454	1.545	20	30		FDEDRO
CC[NH+](CC)CCOC1CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC1	ZINC000466747425	538568849	/nfs/dbraw/zinc/56/88/49/538568849.db2.gz	IYAXPTJXFRLTLY-LJQANCHMSA-N	1	0	352.523	1.864	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO	ZINC000458638720	538628350	/nfs/dbraw/zinc/62/83/50/538628350.db2.gz	DZUZUPXNHDNELD-QRVBRYPASA-N	1	0	359.470	1.786	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCCC[N@H+](C)C1CC1	ZINC000455608271	538679421	/nfs/dbraw/zinc/67/94/21/538679421.db2.gz	JPOOOEVSFFXOKU-OAHLLOKOSA-N	1	0	371.489	1.443	20	30		FDEDRO
COCC[N@H+](C)CC[C@H](NS(=O)(=O)CC1(C#N)CC1)c1ccccc1	ZINC000463411132	538685326	/nfs/dbraw/zinc/68/53/26/538685326.db2.gz	BQRKXSWBUPMIFX-KRWDZBQOSA-N	1	0	365.499	1.919	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1	ZINC000465126704	538707158	/nfs/dbraw/zinc/70/71/58/538707158.db2.gz	BTNKREKPMCRFJQ-UHFFFAOYSA-N	1	0	361.398	1.675	20	30		FDEDRO
CC(C)[N@@H+]1CCCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1	ZINC000473625007	538787360	/nfs/dbraw/zinc/78/73/60/538787360.db2.gz	KUHAZQZLKLMPNT-IBGZPJMESA-N	1	0	368.481	1.992	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2C)C1	ZINC000473692538	538791696	/nfs/dbraw/zinc/79/16/96/538791696.db2.gz	AATOYOXZUJHWFN-KRWDZBQOSA-N	1	0	372.469	1.765	20	30		FDEDRO
C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)c2ccc(C#N)c(F)c2)CC1	ZINC000489644872	538830641	/nfs/dbraw/zinc/83/06/41/538830641.db2.gz	QFXGJMGSUCCGSW-UHFFFAOYSA-N	1	0	368.478	1.392	20	30		FDEDRO
CN(CCC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1cc[nH+]cc1	ZINC000561099115	545685386	/nfs/dbraw/zinc/68/53/86/545685386.db2.gz	DFACFCGHWREPIB-QGZVFWFLSA-N	1	0	351.410	1.854	20	30		FDEDRO
Cc1cc(N2CC[C@H](N(C)CCOCc3ccc(C#N)cc3)C2=O)n(C)n1	ZINC000561794668	545953896	/nfs/dbraw/zinc/95/38/96/545953896.db2.gz	UIKCCKZZJYFJRV-SFHVURJKSA-N	1	0	367.453	1.854	20	30		FDEDRO
N#CCCn1cc(C[N@H+]2CCC[C@@]3(CNC(=O)C3)C2)c(-c2ccncc2)n1	ZINC000562427525	546136662	/nfs/dbraw/zinc/13/66/62/546136662.db2.gz	ZKOZNJCTQRLCNP-HXUWFJFHSA-N	1	0	364.453	1.961	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)CC1	ZINC000562869428	546301752	/nfs/dbraw/zinc/30/17/52/546301752.db2.gz	NBNILXXSKCDKKM-PKOBYXMFSA-N	1	0	371.481	1.647	20	30		FDEDRO
CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000562993905	546346681	/nfs/dbraw/zinc/34/66/81/546346681.db2.gz	RDYGFLAGDQAQCJ-GOEBONIOSA-N	1	0	370.496	1.277	20	30		FDEDRO
C[NH2+]CCCc1[n-][nH]c(=NC(=O)c2cc(Br)oc2C)c1C#N	ZINC000563015458	546355465	/nfs/dbraw/zinc/35/54/65/546355465.db2.gz	DFDYLEKXNCXADF-UHFFFAOYSA-N	1	0	366.219	2.350	20	30		FDEDRO
Cc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(C#N)n2)[NH+](C)C)cc1	ZINC000563096608	546401566	/nfs/dbraw/zinc/40/15/66/546401566.db2.gz	SEUDBWQMTJVULK-MRXNPFEDSA-N	1	0	351.410	1.619	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)n1	ZINC000563944073	546746029	/nfs/dbraw/zinc/74/60/29/546746029.db2.gz	SQMAWTPFEGZTMK-SWLSCSKDSA-N	1	0	354.389	2.099	20	30		FDEDRO
CC[NH+]1CCC(CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1	ZINC000565280860	547287198	/nfs/dbraw/zinc/28/71/98/547287198.db2.gz	XPQVFCKTWADIAK-KRWDZBQOSA-N	1	0	357.458	1.848	20	30		FDEDRO
C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N	ZINC000565422611	547344300	/nfs/dbraw/zinc/34/43/00/547344300.db2.gz	QPGYSKSCMJFLNO-OLZOCXBDSA-N	1	0	367.409	1.926	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C	ZINC000565462886	547358656	/nfs/dbraw/zinc/35/86/56/547358656.db2.gz	HKBLOUARSAXBTP-CABCVRRESA-N	1	0	356.492	1.073	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2CCN(c3ncccc3F)C2)c1	ZINC000566112831	547609189	/nfs/dbraw/zinc/60/91/89/547609189.db2.gz	TVTBRSVUQLBAMZ-HNNXBMFYSA-N	1	0	374.441	1.735	20	30		FDEDRO
CCc1cc(N2CCC([NH2+]Cc3cnc4c(C#N)cnn4c3)CC2)ncn1	ZINC000566242102	547679589	/nfs/dbraw/zinc/67/95/89/547679589.db2.gz	FRCQZYQRFUFPQZ-UHFFFAOYSA-N	1	0	362.441	1.712	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000566319702	547711398	/nfs/dbraw/zinc/71/13/98/547711398.db2.gz	COCOZAAKONHTAX-MSOLQXFVSA-N	1	0	354.454	1.317	20	30		FDEDRO
C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCCn2cnc(C#N)n2)C1	ZINC000566566510	547811128	/nfs/dbraw/zinc/81/11/28/547811128.db2.gz	BKPMSOKSQDVQCK-GOEBONIOSA-N	1	0	353.430	1.284	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1	ZINC000567167031	548018809	/nfs/dbraw/zinc/01/88/09/548018809.db2.gz	PMBBWMRMSNQRJN-DLBZAZTESA-N	1	0	354.458	1.412	20	30		FDEDRO
Cc1oc(NC(=O)[C@H](C)N2CCC(CO)([NH2+]C(C)C)CC2)c(C#N)c1C	ZINC000567403918	548107581	/nfs/dbraw/zinc/10/75/81/548107581.db2.gz	UXMNFYRIUNTWAV-AWEZNQCLSA-N	1	0	362.474	1.920	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cc2C1=O	ZINC000567668275	548201768	/nfs/dbraw/zinc/20/17/68/548201768.db2.gz	CIGIFDDDAICPFW-RRQGHBQHSA-N	1	0	353.422	1.668	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]CCCOC2CCOCC2)c1	ZINC000567689974	548214750	/nfs/dbraw/zinc/21/47/50/548214750.db2.gz	VVCAZRXPEWPAAQ-UHFFFAOYSA-N	1	0	352.456	1.507	20	30		FDEDRO
CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]C[C@@H](O)CN(C)CCC#N)c1	ZINC000567726583	548232259	/nfs/dbraw/zinc/23/22/59/548232259.db2.gz	LRYQADWJDNBHPE-OAHLLOKOSA-N	1	0	373.906	1.430	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC(CCC#N)CC2)CC1=O	ZINC000567738366	548237784	/nfs/dbraw/zinc/23/77/84/548237784.db2.gz	JNVDCBOSELUWCW-ZWKOTPCHSA-N	1	0	360.502	1.862	20	30		FDEDRO
N#CCc1ccc(CNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1	ZINC000567820050	548273382	/nfs/dbraw/zinc/27/33/82/548273382.db2.gz	DWRLSORVVVXBGA-QGZVFWFLSA-N	1	0	357.458	1.282	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCCS2(=O)=O)c(OC)c1	ZINC000568078237	548389500	/nfs/dbraw/zinc/38/95/00/548389500.db2.gz	KUGDCPGOBRCZGD-HZPDHXFCSA-N	1	0	369.483	1.330	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCc2nnnn2CC1	ZINC000568400794	548522307	/nfs/dbraw/zinc/52/23/07/548522307.db2.gz	PJKNJJXRNAMAGS-QGZVFWFLSA-N	1	0	367.457	1.088	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O	ZINC000568502137	548562873	/nfs/dbraw/zinc/56/28/73/548562873.db2.gz	MRJMGXRECFBGCY-CVEARBPZSA-N	1	0	350.850	1.241	20	30		FDEDRO
CC(C)[NH2+]CCCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000569090618	548792640	/nfs/dbraw/zinc/79/26/40/548792640.db2.gz	HBZLHZQMQYMXJL-UHFFFAOYSA-N	1	0	354.357	1.602	20	30		FDEDRO
CN(C)c1ncc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1C	ZINC000569204961	548832236	/nfs/dbraw/zinc/83/22/36/548832236.db2.gz	APPOWODYVYLVGD-QGZVFWFLSA-N	1	0	352.442	1.248	20	30		FDEDRO
C[NH+](C)C[C@@H](O)COc1ccc(NS(=O)(=O)CCC(C)(C)C#N)cc1	ZINC000569276946	548859172	/nfs/dbraw/zinc/85/91/72/548859172.db2.gz	XBWQQNVIOMBUQD-OAHLLOKOSA-N	1	0	369.487	1.669	20	30		FDEDRO
Cn1cc(N2CCC[C@@H]([NH2+]C[C@H](O)COc3ccc(CC#N)cc3)C2)cn1	ZINC000569803988	549053415	/nfs/dbraw/zinc/05/34/15/549053415.db2.gz	HMMDVFAEWQJAHN-MJGOQNOKSA-N	1	0	369.469	1.484	20	30		FDEDRO
N#Cc1cc2c(nc1NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)CCOC2	ZINC000569899370	549086076	/nfs/dbraw/zinc/08/60/76/549086076.db2.gz	GYKSNEFMUKLZPI-RBUKOAKNSA-N	1	0	364.449	2.073	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCC(=O)NCC#N)cc1	ZINC000569996313	549123345	/nfs/dbraw/zinc/12/33/45/549123345.db2.gz	MGLJACNUQZGSFG-OAHLLOKOSA-N	1	0	357.458	1.500	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)C[C@@H]2CCCC[C@H]2O)CC1	ZINC000569996142	549123581	/nfs/dbraw/zinc/12/35/81/549123581.db2.gz	IGZLPSFPEZFDBL-DOTOQJQBSA-N	1	0	351.491	1.153	20	30		FDEDRO
C=CCc1cc(CN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)cc(OC)c1O	ZINC000570131848	549168571	/nfs/dbraw/zinc/16/85/71/549168571.db2.gz	AZIBLUIFOFWQPL-GOSISDBHSA-N	1	0	373.497	1.916	20	30		FDEDRO
CN(c1nnc(COc2ccc(C#N)cc2)n1C)[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000570320420	549238350	/nfs/dbraw/zinc/23/83/50/549238350.db2.gz	XQPCHLNBLAGLLG-MRXNPFEDSA-N	1	0	352.442	1.939	20	30		FDEDRO
N#Cc1cnn2c1NC[C@H](C[NH2+][C@H]1CCN(C(=O)C3CCCCC3)C1)C2	ZINC000571585450	549698821	/nfs/dbraw/zinc/69/88/21/549698821.db2.gz	LOFKIRBKZFBDRE-YOEHRIQHSA-N	1	0	356.474	1.567	20	30		FDEDRO
COC[C@@]1(CNC(=O)CSc2nc(C)c(C)c(C)c2C#N)CCC[NH2+]1	ZINC000571935783	549805730	/nfs/dbraw/zinc/80/57/30/549805730.db2.gz	PTLQOWNOZYVSEL-SFHVURJKSA-N	1	0	362.499	1.855	20	30		FDEDRO
C=CCn1c(-c2nnn(C)c2C)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1	ZINC000572355092	549896222	/nfs/dbraw/zinc/89/62/22/549896222.db2.gz	RWIGDHDNPLSVGB-AWEZNQCLSA-N	1	0	370.505	1.879	20	30		FDEDRO
C=CCSc1ccccc1NC(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1	ZINC000572379697	549901751	/nfs/dbraw/zinc/90/17/51/549901751.db2.gz	NUDLVXITQUZULW-UONOGXRCSA-N	1	0	360.483	1.147	20	30		FDEDRO
CCc1nncn1CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000572918504	550023479	/nfs/dbraw/zinc/02/34/79/550023479.db2.gz	GXXVCHNWBJIVCK-UHFFFAOYSA-N	1	0	350.430	1.802	20	30		FDEDRO
C=CCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000573021178	550046809	/nfs/dbraw/zinc/04/68/09/550046809.db2.gz	NVDKPXKUAYLWGS-OAHLLOKOSA-N	1	0	367.457	1.784	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2OCCN(C(=O)CCc3c(C)nn(CCC#N)c3C)[C@H]2C1	ZINC000573156608	550075933	/nfs/dbraw/zinc/07/59/33/550075933.db2.gz	DOJYFNNIZCJXEM-RBUKOAKNSA-N	1	0	373.501	1.668	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)cc1	ZINC000573206975	550087334	/nfs/dbraw/zinc/08/73/34/550087334.db2.gz	XIWRUZJCPFFSDB-OALUTQOASA-N	1	0	368.481	1.750	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1	ZINC000573344578	550116711	/nfs/dbraw/zinc/11/67/11/550116711.db2.gz	JXYLMAXDDLPLPA-GOSISDBHSA-N	1	0	373.526	1.481	20	30		FDEDRO
CS(=O)(=O)Cc1ccccc1C[NH2+]C[C@H](O)COc1ccc(C#N)cc1	ZINC000573712736	550199137	/nfs/dbraw/zinc/19/91/37/550199137.db2.gz	JAXVMJQZWOWMNP-SFHVURJKSA-N	1	0	374.462	1.632	20	30		FDEDRO
COC(=O)c1ccc(N2CCC(OCC[NH+]3CCCC3)CC2)c(C#N)n1	ZINC000573815001	550216462	/nfs/dbraw/zinc/21/64/62/550216462.db2.gz	KSWXZZRWJGZSAF-UHFFFAOYSA-N	1	0	358.442	1.821	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000574021914	550247454	/nfs/dbraw/zinc/24/74/54/550247454.db2.gz	BUDCCNMOVPRBSH-CQSZACIVSA-N	1	0	371.363	1.524	20	30		FDEDRO
CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)NCc2ccc(CC#N)cc2)CC1	ZINC000574276123	550287783	/nfs/dbraw/zinc/28/77/83/550287783.db2.gz	IGURUYHQQPOQKK-UHFFFAOYSA-N	1	0	356.470	1.702	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)CC1	ZINC000574605022	550340712	/nfs/dbraw/zinc/34/07/12/550340712.db2.gz	FBJBVDSZEIESQV-IYWGDAJJSA-N	1	0	356.514	1.823	20	30		FDEDRO
Cc1cccc([C@@H](C[NH2+]C[C@H](O)CN(C)CCC#N)N2CCOCC2)c1	ZINC000574661988	550350424	/nfs/dbraw/zinc/35/04/24/550350424.db2.gz	JYEDXVCKNHIJOD-VQTJNVASSA-N	1	0	360.502	1.164	20	30		FDEDRO
CCC[C@@H](C)C(=O)NCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000574686338	550354219	/nfs/dbraw/zinc/35/42/19/550354219.db2.gz	QIFWMWQNRFYZKE-CQSZACIVSA-N	1	0	351.472	1.474	20	30		FDEDRO
N#CCCC1CCN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC1	ZINC000575046380	550415127	/nfs/dbraw/zinc/41/51/27/550415127.db2.gz	NGASKMKYDIVYHK-ZWKOTPCHSA-N	1	0	372.444	1.621	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1	ZINC000575140440	550433353	/nfs/dbraw/zinc/43/33/53/550433353.db2.gz	WAOAZCQUVGTYNF-UHFFFAOYSA-N	1	0	350.426	1.339	20	30		FDEDRO
COc1ccc(Cl)cc1N1CC[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)C1	ZINC000575248420	550449986	/nfs/dbraw/zinc/44/99/86/550449986.db2.gz	GUQIOHPAIZOUHY-JKSUJKDBSA-N	1	0	366.893	1.723	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CNC(=O)c2ccccc2C(F)(F)F)CC1	ZINC000575947275	550494246	/nfs/dbraw/zinc/49/42/46/550494246.db2.gz	IAEGNTWOKNIXJC-UHFFFAOYSA-N	1	0	368.359	1.539	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1	ZINC000575972860	550496816	/nfs/dbraw/zinc/49/68/16/550496816.db2.gz	AMYJXGDHYVTPSC-RBUKOAKNSA-N	1	0	372.469	1.865	20	30		FDEDRO
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)n1	ZINC000576727867	550579523	/nfs/dbraw/zinc/57/95/23/550579523.db2.gz	GNIHMPHXILGZHV-JSGCOSHPSA-N	1	0	370.844	2.471	20	30		FDEDRO
COCCn1cc2c(n1)[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)CCC2	ZINC000576745915	550581338	/nfs/dbraw/zinc/58/13/38/550581338.db2.gz	CPIVGNXUBJKDMZ-PKOBYXMFSA-N	1	0	370.453	1.808	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(CC#N)cc2)C[C@@H]1C	ZINC000577395787	550652122	/nfs/dbraw/zinc/65/21/22/550652122.db2.gz	URQLNFGLDJEDDI-YJBOKZPZSA-N	1	0	356.470	1.700	20	30		FDEDRO
C=C(C)Cn1c([C@H]2CCOC2)nnc1N(C)CCN1CCOC(C)(C)C1	ZINC000577601631	550674063	/nfs/dbraw/zinc/67/40/63/550674063.db2.gz	DXYUNLPWMHBGLO-INIZCTEOSA-N	1	0	363.506	1.905	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H](CC)C(=O)N1CCOCC1	ZINC000577722094	550687191	/nfs/dbraw/zinc/68/71/91/550687191.db2.gz	GHFCYFURGOEJGI-ZWKOTPCHSA-N	1	0	362.470	1.382	20	30		FDEDRO
C=C(C)Cn1c(C(C)C)nnc1N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1	ZINC000578114735	550729176	/nfs/dbraw/zinc/72/91/76/550729176.db2.gz	IGZIONJMFQEXMU-MRXNPFEDSA-N	1	0	360.506	1.768	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCC[C@H]2CCCC[C@@H]2O)nc1	ZINC000578192794	550737701	/nfs/dbraw/zinc/73/77/01/550737701.db2.gz	AJLKQSLZJSOAQH-CVEARBPZSA-N	1	0	351.472	1.648	20	30		FDEDRO
C[NH+](C)CCOc1ccc(NC(=O)C(=O)Nc2ccc(C#N)cn2)cc1	ZINC000578557777	550777048	/nfs/dbraw/zinc/77/70/48/550777048.db2.gz	LUFHSDLTYDDMPC-UHFFFAOYSA-N	1	0	353.382	1.471	20	30		FDEDRO
N#Cc1cncnc1N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000578645736	550786865	/nfs/dbraw/zinc/78/68/65/550786865.db2.gz	XBTATDQILXOUDM-KRWDZBQOSA-N	1	0	363.469	1.782	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)C(=O)N[C@H]1CC[N@@H+](CCOC)C1	ZINC000578658610	550788341	/nfs/dbraw/zinc/78/83/41/550788341.db2.gz	FEIWRQFVZBTERS-AWEZNQCLSA-N	1	0	351.472	1.100	20	30		FDEDRO
N#CCC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1	ZINC000578697619	550791470	/nfs/dbraw/zinc/79/14/70/550791470.db2.gz	LGRLMTDRNKXPLA-QGZVFWFLSA-N	1	0	372.444	1.622	20	30		FDEDRO
C[C@H](CNCCS(=O)(=O)c1ccc(C#N)cn1)C[NH+]1CCCCC1	ZINC000579343728	550863079	/nfs/dbraw/zinc/86/30/79/550863079.db2.gz	JVXAEQMJNPCBLO-OAHLLOKOSA-N	1	0	350.488	1.439	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)n1	ZINC000579449917	550874163	/nfs/dbraw/zinc/87/41/63/550874163.db2.gz	PCBZKRDPZSMCAN-ZDUSSCGKSA-N	1	0	354.389	2.241	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCN(C)C[C@H]2C[NH3+])cc1	ZINC000579809573	550911978	/nfs/dbraw/zinc/91/19/78/550911978.db2.gz	OOBCQGXTCKJGLA-GOSISDBHSA-N	1	0	371.485	1.607	20	30		FDEDRO
N#CCc1ccc(CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)cc1	ZINC000581248089	551067911	/nfs/dbraw/zinc/06/79/11/551067911.db2.gz	LPSKJHRHRACPAE-UHFFFAOYSA-N	1	0	371.485	1.544	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)NCC3CC[NH2+]CC3)C2)c(F)c1	ZINC000581299678	551073247	/nfs/dbraw/zinc/07/32/47/551073247.db2.gz	UMIUAEAQFUTQQW-INIZCTEOSA-N	1	0	359.449	1.965	20	30		FDEDRO
C=CCNC(=O)CN1CCN(Cc2[nH+]c(C(C)C)n3ccccc23)CC1	ZINC000581493300	551095714	/nfs/dbraw/zinc/09/57/14/551095714.db2.gz	NCEQAEGLXWZLCC-UHFFFAOYSA-N	1	0	355.486	1.878	20	30		FDEDRO
N#C[C@H]1CN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CCN1Cc1ccccc1	ZINC000581495794	551095805	/nfs/dbraw/zinc/09/58/05/551095805.db2.gz	PBXJFYOAEMTXLF-HOTGVXAUSA-N	1	0	363.412	1.403	20	30		FDEDRO
N#CC1(CNC(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CC1	ZINC000581507458	551097265	/nfs/dbraw/zinc/09/72/65/551097265.db2.gz	FTYGPLIRMWODMD-IBGZPJMESA-N	1	0	367.497	1.892	20	30		FDEDRO
Cn1nccc1[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CCO1	ZINC000582058388	551169789	/nfs/dbraw/zinc/16/97/89/551169789.db2.gz	ZEAWSGZVOUSSTE-ZWOKBUDYSA-N	1	0	370.453	1.736	20	30		FDEDRO
Cc1ccc([C@@H](CNC(=O)C(=O)Nc2cc(C)c(C#N)cn2)[NH+](C)C)cc1	ZINC000582070918	551171678	/nfs/dbraw/zinc/17/16/78/551171678.db2.gz	BKNFJMBIUXZCOJ-QGZVFWFLSA-N	1	0	365.437	1.928	20	30		FDEDRO
C=CCCCCCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1	ZINC000582071155	551172024	/nfs/dbraw/zinc/17/20/24/551172024.db2.gz	JJDOQNMKNPIRQK-UHFFFAOYSA-N	1	0	352.523	1.829	20	30		FDEDRO
CC(C)N(CCCNC(=O)C[NH+]1CCC(CCC#N)CC1)S(C)(=O)=O	ZINC000582299031	551203714	/nfs/dbraw/zinc/20/37/14/551203714.db2.gz	PWLJBYYAJXSHHW-UHFFFAOYSA-N	1	0	372.535	1.178	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]([C@H]2CCCO2)C2(CO)CCC2)cc1	ZINC000582301470	551204465	/nfs/dbraw/zinc/20/44/65/551204465.db2.gz	HWMUIFRGKSILCO-QRQLOZEOSA-N	1	0	360.454	1.598	20	30		FDEDRO
N#Cc1ccncc1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1	ZINC000582318427	551206465	/nfs/dbraw/zinc/20/64/65/551206465.db2.gz	SDFZZQLNKRDMOJ-MRXNPFEDSA-N	1	0	363.421	1.903	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2cncc(C#N)c2)C1	ZINC000582455224	551226228	/nfs/dbraw/zinc/22/62/28/551226228.db2.gz	JSMXORXTSFHSFY-OAHLLOKOSA-N	1	0	352.460	1.075	20	30		FDEDRO
C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000582723992	551259700	/nfs/dbraw/zinc/25/97/00/551259700.db2.gz	XKBMNXACPDTWEM-STQMWFEESA-N	1	0	372.429	1.764	20	30		FDEDRO
CCS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)cc1	ZINC000582780686	551266152	/nfs/dbraw/zinc/26/61/52/551266152.db2.gz	BVEHNCOOWUTQDE-KRWDZBQOSA-N	1	0	374.462	1.881	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@H](n4ccnn4)C3)C2=O)cc1	ZINC000582901716	551279134	/nfs/dbraw/zinc/27/91/34/551279134.db2.gz	GVXLMTVJMLKAFS-ROUUACIJSA-N	1	0	350.426	1.982	20	30		FDEDRO
C[C@H](C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[NH+]1CC(C)C1	ZINC000583041634	551295357	/nfs/dbraw/zinc/29/53/57/551295357.db2.gz	LUIOJCOSFLZYTR-CQSZACIVSA-N	1	0	369.425	1.795	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1	ZINC000583574656	551371764	/nfs/dbraw/zinc/37/17/64/551371764.db2.gz	FXTIWJGZGJYBGJ-KRWDZBQOSA-N	1	0	350.507	1.087	20	30		FDEDRO
Cc1ccccc1[C@H](OC[C@@H](O)C[NH2+]CC(=O)NCC#N)c1ccccc1	ZINC000583626754	551378599	/nfs/dbraw/zinc/37/85/99/551378599.db2.gz	JBFOPGOATFTLAL-GHTZIAJQSA-N	1	0	367.449	1.691	20	30		FDEDRO
C=CCCCNC(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000583637311	551380631	/nfs/dbraw/zinc/38/06/31/551380631.db2.gz	NDULEUDELWZRFY-IYBDPMFKSA-N	1	0	351.491	1.417	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)NCc1ccc(CC#N)cc1)c1cccs1	ZINC000583692682	551388618	/nfs/dbraw/zinc/38/86/18/551388618.db2.gz	UKQHCBYYKAUUCO-MRXNPFEDSA-N	1	0	370.478	1.849	20	30		FDEDRO
CCO[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)[C@@]12CCCO2	ZINC000583808294	551404734	/nfs/dbraw/zinc/40/47/34/551404734.db2.gz	JDHKCABHSUZIRY-INMHGKMJSA-N	1	0	365.455	1.043	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NCC[C@H]3CCC[N@@H+](C)C3)cc2C1=O	ZINC000584216766	551464999	/nfs/dbraw/zinc/46/49/99/551464999.db2.gz	CVEAHHBOIZCGQH-CQSZACIVSA-N	1	0	355.438	1.930	20	30		FDEDRO
N#Cc1cccc(OCCCCC(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c1	ZINC000585682783	551581163	/nfs/dbraw/zinc/58/11/63/551581163.db2.gz	PZTVZWUUEXCSIL-SFHVURJKSA-N	1	0	356.470	1.613	20	30		FDEDRO
C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)C1	ZINC000586858891	551626151	/nfs/dbraw/zinc/62/61/51/551626151.db2.gz	KRXRYTMJGQDEIJ-INIZCTEOSA-N	1	0	372.444	1.504	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c(F)c1	ZINC000586860671	551627125	/nfs/dbraw/zinc/62/71/25/551627125.db2.gz	MVDMEUJQBHZZEC-MRXNPFEDSA-N	1	0	358.417	1.400	20	30		FDEDRO
C[NH+](C)CC1(CNC(=O)C(=O)NCc2ccc(C#N)cc2F)CCCC1	ZINC000586863980	551627564	/nfs/dbraw/zinc/62/75/64/551627564.db2.gz	GXQGICSQCQNXRD-UHFFFAOYSA-N	1	0	360.433	1.552	20	30		FDEDRO
C[C@H]1[C@H](NC(=O)NC2CCN(CC#N)CC2)CC[N@@H+]1Cc1ccccc1	ZINC000588341459	551668100	/nfs/dbraw/zinc/66/81/00/551668100.db2.gz	QWBFHKFROSSERR-QFBILLFUSA-N	1	0	355.486	1.937	20	30		FDEDRO
Cn1ccnc1CN1CCC[C@@H](NC(=O)Nc2ccc(C#N)c(F)c2)C1=O	ZINC000589350179	551725814	/nfs/dbraw/zinc/72/58/14/551725814.db2.gz	VUHPYHPRYNQKBJ-OAHLLOKOSA-N	1	0	370.388	1.744	20	30		FDEDRO
N#Cc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)n1	ZINC000589483913	551732858	/nfs/dbraw/zinc/73/28/58/551732858.db2.gz	PRWHFGQHEMRBJC-AEFFLSMTSA-N	1	0	350.422	1.566	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CC[C@@H]2C[N@H+](C)C[C@H]21	ZINC000590010744	551757142	/nfs/dbraw/zinc/75/71/42/551757142.db2.gz	UBMUTXOHCIVERD-SJLPKXTDSA-N	1	0	373.501	1.588	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)[C@@H]2C1	ZINC000590046910	551757871	/nfs/dbraw/zinc/75/78/71/551757871.db2.gz	MQSZYOHZIMSVMZ-SJLPKXTDSA-N	1	0	354.454	1.876	20	30		FDEDRO
CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(C#N)cn1	ZINC000590246922	551766995	/nfs/dbraw/zinc/76/69/95/551766995.db2.gz	YDSNRGHRSDWKMJ-HZPDHXFCSA-N	1	0	357.458	1.909	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)[C@H]2C1	ZINC000590282861	551770289	/nfs/dbraw/zinc/77/02/89/551770289.db2.gz	XIUMWLRDYJXEAH-RISCZKNCSA-N	1	0	366.343	1.678	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCSC[C@H]2C2CC2)CC1	ZINC000590758742	551813299	/nfs/dbraw/zinc/81/32/99/551813299.db2.gz	NGUYJLDHMFUPQF-SJORKVTESA-N	1	0	350.532	1.506	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]2C(=O)NC[C@@H]2CCCC[N@H+]2CCO)cc1	ZINC000590768049	551814985	/nfs/dbraw/zinc/81/49/85/551814985.db2.gz	VFVJDWCMPTWFGW-OALUTQOASA-N	1	0	356.470	1.490	20	30		FDEDRO
Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)N(C)C[C@@H](C)C#N)CC1	ZINC000590976837	551831723	/nfs/dbraw/zinc/83/17/23/551831723.db2.gz	KZQKRGYTRAQITJ-INIZCTEOSA-N	1	0	356.470	1.647	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[NH+]2CCN([C@@H]3CCOC3)CC2)cc1Cl	ZINC000591021814	551836642	/nfs/dbraw/zinc/83/66/42/551836642.db2.gz	OPRSNQUXZCMRQJ-MRXNPFEDSA-N	1	0	362.861	1.947	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H]([NH2+][C@H]2CCCC[C@H]2N2CCOCC2)C1=O	ZINC000591031748	551837586	/nfs/dbraw/zinc/83/75/86/551837586.db2.gz	CFHPRHIALOZPCA-YESZJQIVSA-N	1	0	374.510	1.958	20	30		FDEDRO
C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)CCO1	ZINC000591299650	551858098	/nfs/dbraw/zinc/85/80/98/551858098.db2.gz	QXAREPJRFVBDSX-ZWNOBZJWSA-N	1	0	364.471	1.430	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1C#N	ZINC000591305161	551859709	/nfs/dbraw/zinc/85/97/09/551859709.db2.gz	WTHJJRIOVOSIOH-BBRMVZONSA-N	1	0	356.426	1.494	20	30		FDEDRO
C[C@H](NC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1)c1cccc(C#N)c1	ZINC000591310908	551860613	/nfs/dbraw/zinc/86/06/13/551860613.db2.gz	YNTUXBNCWTUVOL-ZDUSSCGKSA-N	1	0	351.414	1.641	20	30		FDEDRO
CCC[C@H]1C[NH2+]CCN1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000591350524	551864945	/nfs/dbraw/zinc/86/49/45/551864945.db2.gz	HWRCMIXPLLKHDH-KRWDZBQOSA-N	1	0	356.474	1.706	20	30		FDEDRO
CC1([NH3+])CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000591356501	551865622	/nfs/dbraw/zinc/86/56/22/551865622.db2.gz	BKYJGNZQYNTOKL-MRXNPFEDSA-N	1	0	355.442	1.576	20	30		FDEDRO
C[C@@H]([NH3+])[C@H]1CN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CCO1	ZINC000591356935	551865731	/nfs/dbraw/zinc/86/57/31/551865731.db2.gz	BJYYWOOLYPDJCA-LHUBUQBQSA-N	1	0	373.457	1.401	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3CCC[C@H]([NH3+])C3)C2=O)cc1	ZINC000591357137	551865769	/nfs/dbraw/zinc/86/57/69/551865769.db2.gz	QWCPZYSROCGPOK-BBWFWOEESA-N	1	0	355.442	1.228	20	30		FDEDRO
C[C@@H](NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)[C@H]1CCC[NH2+]C1	ZINC000591359215	551865927	/nfs/dbraw/zinc/86/59/27/551865927.db2.gz	VTBOHGQGGPFIAK-HIFRSBDPSA-N	1	0	372.473	1.643	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1	ZINC000591359531	551865930	/nfs/dbraw/zinc/86/59/30/551865930.db2.gz	HZLUZBQCVJVFLD-KRWDZBQOSA-N	1	0	356.474	1.692	20	30		FDEDRO
C[C@@H](NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)[C@@H]1CCC[NH2+]C1	ZINC000591359216	551865942	/nfs/dbraw/zinc/86/59/42/551865942.db2.gz	VTBOHGQGGPFIAK-UKRRQHHQSA-N	1	0	372.473	1.643	20	30		FDEDRO
Cc1ccc(-n2nc(CCCNC(=O)NC/C=C/C[NH3+])c(C#N)c2N)cc1	ZINC000591360880	551866096	/nfs/dbraw/zinc/86/60/96/551866096.db2.gz	DGQWQIHSEHCBPQ-NSCUHMNNSA-N	1	0	367.457	1.381	20	30		FDEDRO
C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCc1ccc(C#N)c(Cl)c1	ZINC000591395924	551867599	/nfs/dbraw/zinc/86/75/99/551867599.db2.gz	FSBWXFYTRVJQPC-STQMWFEESA-N	1	0	350.850	1.808	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1	ZINC000591728337	551904018	/nfs/dbraw/zinc/90/40/18/551904018.db2.gz	OHMHTABJGPTRFI-ZBFHGGJFSA-N	1	0	352.429	1.587	20	30		FDEDRO
COc1ccc(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1F	ZINC000591733531	551904622	/nfs/dbraw/zinc/90/46/22/551904622.db2.gz	CUVHSFCTUYBWSA-UHFFFAOYSA-N	1	0	363.414	1.707	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)cc1	ZINC000591736730	551904766	/nfs/dbraw/zinc/90/47/66/551904766.db2.gz	KZYKPMLLWUYIQU-GXTWGEPZSA-N	1	0	357.332	1.051	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+]C[C@H](O)COc3ccccc3)CC2)nc1	ZINC000591736466	551904900	/nfs/dbraw/zinc/90/49/00/551904900.db2.gz	MNSNILDLCBVNQK-SFHVURJKSA-N	1	0	352.438	1.952	20	30		FDEDRO
CC(C)(C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)[C@H]1CCCCO1	ZINC000591753929	551906032	/nfs/dbraw/zinc/90/60/32/551906032.db2.gz	QMKINZPLBGCIAJ-OAHLLOKOSA-N	1	0	351.472	1.912	20	30		FDEDRO
N#Cc1ncn(CC[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)n1	ZINC000591766518	551907171	/nfs/dbraw/zinc/90/71/71/551907171.db2.gz	CASNEGFOLJMJHY-JTQLQIEISA-N	1	0	356.213	1.486	20	30		FDEDRO
CS(=O)(=O)c1cccc(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)c1	ZINC000591770578	551907467	/nfs/dbraw/zinc/90/74/67/551907467.db2.gz	NKFKHJBBWBPMKM-QGZVFWFLSA-N	1	0	374.462	1.686	20	30		FDEDRO
COc1ccc2ncc(C#N)c(N3CCN(C(=O)C[NH+](C)C)CC3)c2c1	ZINC000591895154	551913958	/nfs/dbraw/zinc/91/39/58/551913958.db2.gz	QEVWICBMMCRULZ-UHFFFAOYSA-N	1	0	353.426	1.325	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1ccc(C#N)c(Cl)c1)CCO2	ZINC000592102872	551941968	/nfs/dbraw/zinc/94/19/68/551941968.db2.gz	BJUHEDHEJBATMP-UHFFFAOYSA-N	1	0	369.874	1.697	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCC[N@@H+](CCOC)C3)cc2C1=O	ZINC000592105078	551942747	/nfs/dbraw/zinc/94/27/47/551942747.db2.gz	TUQZTJBDMQFOIM-HNNXBMFYSA-N	1	0	371.437	1.309	20	30		FDEDRO
CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000592185166	551955254	/nfs/dbraw/zinc/95/52/54/551955254.db2.gz	VCWVWSXCPGAZLJ-XJKSGUPXSA-N	1	0	371.359	1.298	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CCN(C(=O)NCc3ccc(C[NH3+])cc3)C2)nc1	ZINC000592219284	551962242	/nfs/dbraw/zinc/96/22/42/551962242.db2.gz	IPSLORZMXUJXQI-KRWDZBQOSA-N	1	0	351.410	1.775	20	30		FDEDRO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000592252384	551967878	/nfs/dbraw/zinc/96/78/78/551967878.db2.gz	DQIJGICYJHKDQP-CYBMUJFWSA-N	1	0	360.462	1.698	20	30		FDEDRO
C[NH+](C)CCCOc1ccc(NC(=O)C(=O)Nc2cccc(C#N)n2)cc1	ZINC000592290423	551973359	/nfs/dbraw/zinc/97/33/59/551973359.db2.gz	LJVZRJMSTCKNEA-UHFFFAOYSA-N	1	0	367.409	1.861	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1	ZINC000592313833	551978806	/nfs/dbraw/zinc/97/88/06/551978806.db2.gz	QXRLOKFUOSIWAD-UHFFFAOYSA-N	1	0	356.426	1.128	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1	ZINC000592347277	551983130	/nfs/dbraw/zinc/98/31/30/551983130.db2.gz	UMECJRJTFDFOHK-GBESFXJTSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=CCn1c([C@@H]2CCO[C@H]2C)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1	ZINC000592399537	551989269	/nfs/dbraw/zinc/98/92/69/551989269.db2.gz	VMGSFZWBNOKDTO-OKZBNKHCSA-N	1	0	374.533	1.573	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)cc1	ZINC000592429183	551994041	/nfs/dbraw/zinc/99/40/41/551994041.db2.gz	BLFDGWKOJSHBKB-HKUYNNGSSA-N	1	0	358.413	1.878	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCCc3c2cnn3CCO)cc1	ZINC000592429296	551994145	/nfs/dbraw/zinc/99/41/45/551994145.db2.gz	FTCHQPQZQNILIK-KRWDZBQOSA-N	1	0	374.466	1.188	20	30		FDEDRO
C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000592441965	551995909	/nfs/dbraw/zinc/99/59/09/551995909.db2.gz	BXSRNXXXLFNYII-KGLIPLIRSA-N	1	0	358.442	1.170	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)CCO2	ZINC000592899423	552040686	/nfs/dbraw/zinc/04/06/86/552040686.db2.gz	RBBZLVYYBBRKHB-IBGZPJMESA-N	1	0	368.481	1.850	20	30		FDEDRO
C=C(C)[C@@H](CO)[NH+]1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1	ZINC000593043413	552055274	/nfs/dbraw/zinc/05/52/74/552055274.db2.gz	FEUWXLJVQAXHAG-GDBMZVCRSA-N	1	0	352.475	1.578	20	30		FDEDRO
CC(C)(C)OC(=O)[C@H]1CC(=O)N(C2CC[NH+](CCOCCC#N)CC2)C1	ZINC000593044511	552055627	/nfs/dbraw/zinc/05/56/27/552055627.db2.gz	NMXMNPBXDLOPEF-HNNXBMFYSA-N	1	0	365.474	1.571	20	30		FDEDRO
C[NH+](C)CCN1CCN(Cc2ccc(C#N)cc2OC(F)F)CC1=O	ZINC000593052665	552056508	/nfs/dbraw/zinc/05/65/08/552056508.db2.gz	TVSHAFFVGAKFTO-UHFFFAOYSA-N	1	0	352.385	1.365	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([NH+]3CCC(Cn4cnnc4)CC3)C2=O)cc1	ZINC000593077232	552058893	/nfs/dbraw/zinc/05/88/93/552058893.db2.gz	YIDCODQMPDNWFW-SFHVURJKSA-N	1	0	350.426	1.667	20	30		FDEDRO
COC(=O)[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C1CC1	ZINC000593132292	552066063	/nfs/dbraw/zinc/06/60/63/552066063.db2.gz	SCMGJEFZSKTBCT-KSZLIROESA-N	1	0	353.422	1.795	20	30		FDEDRO
Cc1cc(=NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)[nH]n1C	ZINC000593173106	552069549	/nfs/dbraw/zinc/06/95/49/552069549.db2.gz	WKKGZJGFCZFIHO-UHFFFAOYSA-N	1	0	352.442	2.386	20	30		FDEDRO
CC(=O)NCCCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593305104	552086236	/nfs/dbraw/zinc/08/62/36/552086236.db2.gz	BVQJLWYKKXQISU-UHFFFAOYSA-N	1	0	357.458	1.348	20	30		FDEDRO
CN1C[C@@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCC1=O	ZINC000593346811	552093357	/nfs/dbraw/zinc/09/33/57/552093357.db2.gz	BOFMGVYOFYQNDV-SFHVURJKSA-N	1	0	369.469	1.443	20	30		FDEDRO
CNc1nc(C)cc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1	ZINC000593349554	552093749	/nfs/dbraw/zinc/09/37/49/552093749.db2.gz	QTTNTSGEMMYSCQ-UHFFFAOYSA-N	1	0	364.453	2.093	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@H]3CCC[C@@H]3O)CC2)c1	ZINC000593512830	552120097	/nfs/dbraw/zinc/12/00/97/552120097.db2.gz	UUEFAGCUCIDWCA-MJGOQNOKSA-N	1	0	356.470	1.983	20	30		FDEDRO
COCC[C@@H](CO)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593514088	552120453	/nfs/dbraw/zinc/12/04/53/552120453.db2.gz	OVVZEWAZMKDVAY-SFHVURJKSA-N	1	0	360.458	1.219	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N(C)CC1CC[NH+](C)CC1	ZINC000593545202	552128957	/nfs/dbraw/zinc/12/89/57/552128957.db2.gz	UTGYKBRVKWXACU-UHFFFAOYSA-N	1	0	365.455	1.307	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccsc1C#N	ZINC000593566455	552136565	/nfs/dbraw/zinc/13/65/65/552136565.db2.gz	HLMINEXKPHKPOX-AGIUHOORSA-N	1	0	355.485	1.492	20	30		FDEDRO
CC(C)C[N@H+](C)CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000593616507	552153075	/nfs/dbraw/zinc/15/30/75/552153075.db2.gz	MJEFKUOHZRPUHA-UHFFFAOYSA-N	1	0	354.432	1.723	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCCC2CC[NH2+]CC2)CC1	ZINC000593718297	552182085	/nfs/dbraw/zinc/18/20/85/552182085.db2.gz	DVLQVTIAZABPDC-UHFFFAOYSA-N	1	0	372.473	1.645	20	30		FDEDRO
Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)ccc1C#N	ZINC000593731824	552186046	/nfs/dbraw/zinc/18/60/46/552186046.db2.gz	FHNQOIGPCHJCJZ-NXHRZFHOSA-N	1	0	363.483	1.916	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1C#N	ZINC000593736452	552187071	/nfs/dbraw/zinc/18/70/71/552187071.db2.gz	STSVKBQBFOVNSR-ZOBUZTSGSA-N	1	0	363.483	1.774	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1	ZINC000593766396	552194107	/nfs/dbraw/zinc/19/41/07/552194107.db2.gz	IMDBIYSHOCFOTQ-LZLYRXPVSA-N	1	0	370.453	1.550	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)ccc1F	ZINC000593766340	552194164	/nfs/dbraw/zinc/19/41/64/552194164.db2.gz	GNFHYNRQSUMTPC-RVSPLBMKSA-N	1	0	374.416	1.381	20	30		FDEDRO
Cc1n[nH]c(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1[N+](=O)[O-]	ZINC000593884562	552216600	/nfs/dbraw/zinc/21/66/00/552216600.db2.gz	ZMEITCDEHUTHDQ-UHFFFAOYSA-N	1	0	368.397	1.892	20	30		FDEDRO
C[NH+](C)CC[C@](C)(O)CNC(=O)Cc1ccc(Br)cc1C#N	ZINC000593893771	552219545	/nfs/dbraw/zinc/21/95/45/552219545.db2.gz	AJOHWLJKHUISCK-INIZCTEOSA-N	1	0	368.275	1.682	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)C(=O)N[C@@H]3CCSC3)CC2)c1	ZINC000593928180	552227734	/nfs/dbraw/zinc/22/77/34/552227734.db2.gz	KSAMPJOOWLNZFU-QGZVFWFLSA-N	1	0	372.494	1.261	20	30		FDEDRO
C[C@H](CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)N1C[C@@H](C)O[C@@H](C)C1	ZINC000594098975	552248845	/nfs/dbraw/zinc/24/88/45/552248845.db2.gz	KOQGUARLPRPUSZ-CUYVQJCZSA-N	1	0	367.490	1.862	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(CC[NH+]2CCCC2)CC1	ZINC000594227245	552267535	/nfs/dbraw/zinc/26/75/35/552267535.db2.gz	UVXYJLCQSVKPAD-SFHVURJKSA-N	1	0	354.498	1.977	20	30		FDEDRO
C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)[C@@H]([NH3+])CCCCC#N	ZINC000594425284	552308210	/nfs/dbraw/zinc/30/82/10/552308210.db2.gz	HICKJAYZFQMOTL-DOMZBBRYSA-N	1	0	352.460	1.265	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NCCN(C)C(=O)[C@@H]([NH3+])CCCCC#N)cc1	ZINC000594432521	552309071	/nfs/dbraw/zinc/30/90/71/552309071.db2.gz	CFNKOAOUAXQFPA-INIZCTEOSA-N	1	0	366.487	1.143	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1	ZINC000594432637	552309407	/nfs/dbraw/zinc/30/94/07/552309407.db2.gz	FPFOMSWOUBNUQB-NVXWUHKLSA-N	1	0	358.442	1.194	20	30		FDEDRO
Cc1ccccc1CC(=O)N1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1	ZINC000594436559	552309754	/nfs/dbraw/zinc/30/97/54/552309754.db2.gz	KHVOLBLNEULULP-SFHVURJKSA-N	1	0	356.470	1.620	20	30		FDEDRO
C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)[C@H]([NH3+])CCCCC#N	ZINC000594438805	552310601	/nfs/dbraw/zinc/31/06/01/552310601.db2.gz	LVCBWOAERKLEAN-IEBWSBKVSA-N	1	0	357.502	1.725	20	30		FDEDRO
Cc1ccc(CC(=O)N2CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC2)cc1	ZINC000594440115	552310837	/nfs/dbraw/zinc/31/08/37/552310837.db2.gz	UENFUUVZYVKVPL-GOSISDBHSA-N	1	0	356.470	1.620	20	30		FDEDRO
CN1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc2)CC1	ZINC000594440687	552310886	/nfs/dbraw/zinc/31/08/86/552310886.db2.gz	HTUIOGTVKBXEOH-SFHVURJKSA-N	1	0	371.485	1.353	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1	ZINC000594441098	552311027	/nfs/dbraw/zinc/31/10/27/552311027.db2.gz	MNWAYVKGVDIBOQ-QGZVFWFLSA-N	1	0	357.458	1.181	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccc(O)cc2)CC1	ZINC000594439899	552311162	/nfs/dbraw/zinc/31/11/62/552311162.db2.gz	RYDURLBJZDWHRN-KRWDZBQOSA-N	1	0	358.442	1.981	20	30		FDEDRO
CS(=O)(=O)N1CCc2c1cccc2NC(=O)[C@@H]([NH3+])CCCCC#N	ZINC000594443675	552311765	/nfs/dbraw/zinc/31/17/65/552311765.db2.gz	RWYJPOYDTKOKNA-ZDUSSCGKSA-N	1	0	350.444	1.358	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1	ZINC000594447106	552312324	/nfs/dbraw/zinc/31/23/24/552312324.db2.gz	TUTYZNNIVMJYTM-AWEZNQCLSA-N	1	0	368.434	1.616	20	30		FDEDRO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F	ZINC000594532740	552329807	/nfs/dbraw/zinc/32/98/07/552329807.db2.gz	TZPHZKLCFQVDQG-CABZTGNLSA-N	1	0	374.388	1.883	20	30		FDEDRO
N#Cc1ccc(NCCCC[NH+]2CCN(c3ccccc3)CC2)nc1N	ZINC000594546513	552332231	/nfs/dbraw/zinc/33/22/31/552332231.db2.gz	ORJPECIVCQYIKX-UHFFFAOYSA-N	1	0	350.470	2.550	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(c3cccc(-n4cccn4)c3C#N)C2)CC1	ZINC000594549580	552332562	/nfs/dbraw/zinc/33/25/62/552332562.db2.gz	FTUIGRUIFYOZAU-KRWDZBQOSA-N	1	0	350.470	1.960	20	30		FDEDRO
C[C@@H](CCNS(=O)(=O)c1ccc(C#N)c(Br)c1)[NH+](C)C	ZINC000594821343	552398355	/nfs/dbraw/zinc/39/83/55/552398355.db2.gz	NOHAXFMCYZGNER-JTQLQIEISA-N	1	0	360.277	1.939	20	30		FDEDRO
N#CCCn1cc(C[NH2+]C[C@@]2(OCCO)CCOC2)c(-c2ccncc2)n1	ZINC000594973570	552429273	/nfs/dbraw/zinc/42/92/73/552429273.db2.gz	GJOOEDNAVGNHSB-IBGZPJMESA-N	1	0	371.441	1.116	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1	ZINC000595074425	552445521	/nfs/dbraw/zinc/44/55/21/552445521.db2.gz	RRSMWZWGWWCEBJ-AWEZNQCLSA-N	1	0	358.442	1.742	20	30		FDEDRO
CCN(C(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C)[C@H]1CC[N@H+](C)C1	ZINC000595102748	552451090	/nfs/dbraw/zinc/45/10/90/552451090.db2.gz	JGVZAJPVWGMTTC-HNNXBMFYSA-N	1	0	358.442	1.837	20	30		FDEDRO
C[C@@]1(C#N)CCN(C(=O)C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1	ZINC000595146641	552467300	/nfs/dbraw/zinc/46/73/00/552467300.db2.gz	FKJYNHLPRJLCOL-FQEVSTJZSA-N	1	0	360.502	1.863	20	30		FDEDRO
N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCN([C@H]3CCOC3)CC2)c1	ZINC000595152910	552469335	/nfs/dbraw/zinc/46/93/35/552469335.db2.gz	LSVCQYNDSGRMJH-ZDUSSCGKSA-N	1	0	362.817	1.083	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1	ZINC000595161190	552472588	/nfs/dbraw/zinc/47/25/88/552472588.db2.gz	FVGVJOJFXQLNJJ-MRXNPFEDSA-N	1	0	353.532	1.889	20	30		FDEDRO
C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2CC[C@@](C)(C#N)C2)cc1	ZINC000595208868	552491120	/nfs/dbraw/zinc/49/11/20/552491120.db2.gz	ZHPLGHMNYSGKKN-IBGZPJMESA-N	1	0	358.442	1.718	20	30		FDEDRO
C[C@@H](C#N)CN(C(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)C1CC1	ZINC000595238301	552502025	/nfs/dbraw/zinc/50/20/25/552502025.db2.gz	CLELRJZHSQHVRA-GUYCJALGSA-N	1	0	356.426	1.437	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)c1	ZINC000595239129	552502327	/nfs/dbraw/zinc/50/23/27/552502327.db2.gz	OORMMHAQUQZDNT-SFHVURJKSA-N	1	0	364.405	1.991	20	30		FDEDRO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC2CC1(C[NH3+])C2	ZINC000595247102	552504336	/nfs/dbraw/zinc/50/43/36/552504336.db2.gz	ABLLXVFWOBYVGB-ZVLZOBCMSA-N	1	0	358.467	1.969	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)C2=O)cc1	ZINC000595264819	552507987	/nfs/dbraw/zinc/50/79/87/552507987.db2.gz	QGBZPCUNVAQHKK-OAGGEKHMSA-N	1	0	359.405	1.134	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCC2([NH3+])CCCC2)CC1	ZINC000595269563	552509262	/nfs/dbraw/zinc/50/92/62/552509262.db2.gz	DRWNRFXNKVKKLI-UHFFFAOYSA-N	1	0	358.446	1.527	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1	ZINC000595278865	552510847	/nfs/dbraw/zinc/51/08/47/552510847.db2.gz	YLCUBBXJKOVGDA-GOSISDBHSA-N	1	0	354.454	1.413	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)c1ccc(C#N)cc1	ZINC000595279733	552511116	/nfs/dbraw/zinc/51/11/16/552511116.db2.gz	RIQSJROTODJKQF-HNAYVOBHSA-N	1	0	368.481	1.974	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000595491392	552571877	/nfs/dbraw/zinc/57/18/77/552571877.db2.gz	WDUUWPSVBYUJIQ-QGZVFWFLSA-N	1	0	356.474	1.706	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC=C(c2cn(C(C)C)nn2)CC1	ZINC000595519238	552577586	/nfs/dbraw/zinc/57/75/86/552577586.db2.gz	WAKVMGXKWOMFGO-CQSZACIVSA-N	1	0	360.462	1.739	20	30		FDEDRO
N#CC1(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CCCCC1	ZINC000595548087	552582071	/nfs/dbraw/zinc/58/20/71/552582071.db2.gz	AAYFANFYGRAVOY-QGZVFWFLSA-N	1	0	363.506	1.166	20	30		FDEDRO
N#Cc1ccccc1OCC[NH+]1CCC(NC(=O)N2CCOCC2)CC1	ZINC000595550703	552582644	/nfs/dbraw/zinc/58/26/44/552582644.db2.gz	SCEDEUCJBSRRFU-UHFFFAOYSA-N	1	0	358.442	1.443	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1	ZINC000595716527	552605775	/nfs/dbraw/zinc/60/57/75/552605775.db2.gz	BANKDWBWDPSONE-PMUMKWKESA-N	1	0	351.447	1.037	20	30		FDEDRO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1	ZINC000595735821	552608597	/nfs/dbraw/zinc/60/85/97/552608597.db2.gz	DHIALXCUPFBRIF-FVTKVJNCSA-N	1	0	360.502	1.906	20	30		FDEDRO
CN(C)C(=O)N(C)[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000595823163	552619802	/nfs/dbraw/zinc/61/98/02/552619802.db2.gz	HELSYZLTCRRUKP-SJORKVTESA-N	1	0	360.458	1.180	20	30		FDEDRO
CC(C)[C@H]([NH3+])C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595971419	552640144	/nfs/dbraw/zinc/64/01/44/552640144.db2.gz	PVMOSURGRMGPQQ-SFHVURJKSA-N	1	0	352.442	1.580	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CCN(C(=O)C4CC[NH2+]CC4)CC3)n[nH]2)cc1	ZINC000595971494	552640271	/nfs/dbraw/zinc/64/02/71/552640271.db2.gz	QIVKENRVBMZYEE-UHFFFAOYSA-N	1	0	364.453	1.597	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1	ZINC000595986614	552641307	/nfs/dbraw/zinc/64/13/07/552641307.db2.gz	IWRMQGCAFVGNKV-IBGZPJMESA-N	1	0	368.481	1.755	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]C2CCN([C@H]3CCOC3)CC2)c1	ZINC000596065510	552651671	/nfs/dbraw/zinc/65/16/71/552651671.db2.gz	JSNANKBHSWDVHJ-KRWDZBQOSA-N	1	0	363.483	1.175	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1	ZINC000596408865	552677181	/nfs/dbraw/zinc/67/71/81/552677181.db2.gz	LLMOACBBRGWDHB-QGZVFWFLSA-N	1	0	358.442	1.178	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC000596583646	552691791	/nfs/dbraw/zinc/69/17/91/552691791.db2.gz	YJEHYOCBYQNMMR-HKUYNNGSSA-N	1	0	354.454	1.786	20	30		FDEDRO
C=CCOc1ccc(C[NH2+]CCCN2CCCS2(=O)=O)cc1OC	ZINC000596676499	552700313	/nfs/dbraw/zinc/70/03/13/552700313.db2.gz	UPKRSZXARZCLHI-UHFFFAOYSA-N	1	0	354.472	1.775	20	30		FDEDRO
N#CC[C@]1(O)CCN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1	ZINC000596754747	552707785	/nfs/dbraw/zinc/70/77/85/552707785.db2.gz	YKBQCVOPOQPQFN-IBGZPJMESA-N	1	0	357.458	1.354	20	30		FDEDRO
C[NH+](C)CCn1ccc(=NC(=O)N2CCN(c3ccsc3C#N)CC2)[nH]1	ZINC000596766016	552708072	/nfs/dbraw/zinc/70/80/72/552708072.db2.gz	QSAKPYFOIBMBDS-UHFFFAOYSA-N	1	0	373.486	1.732	20	30		FDEDRO
C[NH+]1CCN(Cc2ccc(CNC(=O)CC3(C#N)CCOCC3)cc2)CC1	ZINC000596804503	552712394	/nfs/dbraw/zinc/71/23/94/552712394.db2.gz	BONBJQHANRJXTN-UHFFFAOYSA-N	1	0	370.497	1.761	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC2(C#N)CCCCC2)CC1	ZINC000596866665	552719585	/nfs/dbraw/zinc/71/95/85/552719585.db2.gz	QQHNJVMBRXSBLM-UHFFFAOYSA-N	1	0	363.506	1.656	20	30		FDEDRO
C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC1(C#N)CCCCC1	ZINC000597212097	552761091	/nfs/dbraw/zinc/76/10/91/552761091.db2.gz	PWSLHYIBARBHPL-GOSISDBHSA-N	1	0	370.497	1.866	20	30		FDEDRO
N#CC1(CC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CCOCC1	ZINC000597227521	552762875	/nfs/dbraw/zinc/76/28/75/552762875.db2.gz	FTYRKBWCMXJUKK-UHFFFAOYSA-N	1	0	371.481	1.970	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)NCc2nccn2CC(F)(F)F)CCCCC1	ZINC000597252252	552765430	/nfs/dbraw/zinc/76/54/30/552765430.db2.gz	PVDINZZBYJHNJY-UHFFFAOYSA-N	1	0	371.363	1.652	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CC1	ZINC000597440383	552789652	/nfs/dbraw/zinc/78/96/52/552789652.db2.gz	MIDDECPYNYNXLV-HNNXBMFYSA-N	1	0	370.457	1.397	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]2C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cc1	ZINC000597623886	552813711	/nfs/dbraw/zinc/81/37/11/552813711.db2.gz	DALYNAFZRPGWAG-MOPGFXCFSA-N	1	0	353.470	1.033	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)Nc2ccccc2-n2ncc(C#N)c2N)CC1	ZINC000597638657	552816108	/nfs/dbraw/zinc/81/61/08/552816108.db2.gz	ZTIRMITVKJKAKE-UHFFFAOYSA-N	1	0	367.457	1.292	20	30		FDEDRO
C[NH+](C)C[C@@H](CO)NC(=O)c1ccc(OCc2ccccc2C#N)cc1	ZINC000597655601	552818421	/nfs/dbraw/zinc/81/84/21/552818421.db2.gz	YVESJDCPCMLNFS-SFHVURJKSA-N	1	0	353.422	1.790	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000597692492	552822399	/nfs/dbraw/zinc/82/23/99/552822399.db2.gz	OEGCEYNDFDTGQE-SJORKVTESA-N	1	0	371.485	1.569	20	30		FDEDRO
Cc1oc(C#N)cc1C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000597692941	552823013	/nfs/dbraw/zinc/82/30/13/552823013.db2.gz	RFKVZDLVBCCYGN-PBHICJAKSA-N	1	0	360.458	1.767	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1	ZINC000597991817	552853381	/nfs/dbraw/zinc/85/33/81/552853381.db2.gz	SMSYVUYBSYPJOO-GOSISDBHSA-N	1	0	350.422	1.758	20	30		FDEDRO
C[C@H](C(=O)NCC1CC[NH+](Cc2ccncc2)CC1)n1cnc(C#N)n1	ZINC000598064152	552862572	/nfs/dbraw/zinc/86/25/72/552862572.db2.gz	MGWOVHJMYWICRT-CQSZACIVSA-N	1	0	353.430	1.134	20	30		FDEDRO
CCC[N@H+](C)CC(C)(C)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000598466628	552899680	/nfs/dbraw/zinc/89/96/80/552899680.db2.gz	RFLMISVIZUNBRE-UHFFFAOYSA-N	1	0	365.499	1.710	20	30		FDEDRO
CO[C@@H](C)c1noc(CN2CCC[N@H+](C[C@H](O)CC(C)(C)C#N)CC2)n1	ZINC000598594090	552912934	/nfs/dbraw/zinc/91/29/34/552912934.db2.gz	YTTIAWQERXWCGO-LSDHHAIUSA-N	1	0	365.478	1.585	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1	ZINC000598723429	552928209	/nfs/dbraw/zinc/92/82/09/552928209.db2.gz	HQUZZADSXNKYBN-MRXNPFEDSA-N	1	0	351.472	1.617	20	30		FDEDRO
COCCNS(=O)(=O)c1cccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)c1	ZINC000598722118	552928289	/nfs/dbraw/zinc/92/82/89/552928289.db2.gz	ZGMPFOQWDKPHSY-HNNXBMFYSA-N	1	0	369.487	1.002	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F	ZINC000598725557	552928347	/nfs/dbraw/zinc/92/83/47/552928347.db2.gz	XHPCZXFZELZGMA-GFCCVEGCSA-N	1	0	361.414	1.133	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CCc2c(CC#N)cccc2C1	ZINC000599032252	552960249	/nfs/dbraw/zinc/96/02/49/552960249.db2.gz	JLKVJJVYFRGCBD-QGZVFWFLSA-N	1	0	369.513	1.846	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)NCC1([NH3+])CCOCC1	ZINC000599100307	552967494	/nfs/dbraw/zinc/96/74/94/552967494.db2.gz	AYXKNGFPKKKKGV-UHFFFAOYSA-N	1	0	374.260	1.107	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H](CNC(=O)N2CCN(c3cnccc3C#N)CC2)C1	ZINC000599156865	552975987	/nfs/dbraw/zinc/97/59/87/552975987.db2.gz	IXPLBJOTNCEANA-INIZCTEOSA-N	1	0	356.474	1.517	20	30		FDEDRO
C[N@@H+]1CCCC[C@H](CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1	ZINC000599157157	552976043	/nfs/dbraw/zinc/97/60/43/552976043.db2.gz	QBBCEJIDNFCOCW-MRXNPFEDSA-N	1	0	356.474	1.517	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3C[C@H](C(N)=O)C3)CC2)cc1	ZINC000599163676	552976719	/nfs/dbraw/zinc/97/67/19/552976719.db2.gz	JQRJNVGSSULRAF-QAQDUYKDSA-N	1	0	355.442	1.039	20	30		FDEDRO
C[C@@H](CS(C)(=O)=O)N(C[C@@H](O)COc1ccccc1C#N)C1CC1	ZINC000599292871	553017878	/nfs/dbraw/zinc/01/78/78/553017878.db2.gz	JCZNTQMQAGLDRD-XJKSGUPXSA-N	1	0	352.456	1.195	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+][C@H](CN2CCOCC2)c2ccccc2)CCOCC1	ZINC000599346227	553033377	/nfs/dbraw/zinc/03/33/77/553033377.db2.gz	BGKPKKZTYRRQIE-WOJBJXKFSA-N	1	0	373.497	1.721	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)CCOCC1	ZINC000599386562	553042328	/nfs/dbraw/zinc/04/23/28/553042328.db2.gz	OTHIIRUWGOWWMJ-KSZLIROESA-N	1	0	351.491	1.291	20	30		FDEDRO
CN1CC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C[C@H]1Cc1ccccc1	ZINC000599403185	553047446	/nfs/dbraw/zinc/04/74/46/553047446.db2.gz	BYZUSUUZSHEQMK-WOJBJXKFSA-N	1	0	357.498	1.916	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CCN1C1CCCC1	ZINC000599464252	553064958	/nfs/dbraw/zinc/06/49/58/553064958.db2.gz	KSVXFBMTCZNPFN-CYBMUJFWSA-N	1	0	364.427	1.762	20	30		FDEDRO
Cc1oc(NC(=O)[C@@H](C)N2CCC([NH+]3CCOCC3)CC2)c(C#N)c1C	ZINC000599472150	553067106	/nfs/dbraw/zinc/06/71/06/553067106.db2.gz	AJCKQVFSXWGNLO-CQSZACIVSA-N	1	0	360.458	1.892	20	30		FDEDRO
CCOC(=O)CC1([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CCOCC1	ZINC000599482374	553069674	/nfs/dbraw/zinc/06/96/74/553069674.db2.gz	SMJUTWXFBWGOBY-HNNXBMFYSA-N	1	0	354.447	1.150	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1	ZINC000599513679	553077720	/nfs/dbraw/zinc/07/77/20/553077720.db2.gz	CKWAOIIUXMURGV-OWCLPIDISA-N	1	0	356.461	1.902	20	30		FDEDRO
C[NH2+]CCOCCNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1	ZINC000599605138	553101488	/nfs/dbraw/zinc/10/14/88/553101488.db2.gz	SVRROIZZNXBPHV-UHFFFAOYSA-N	1	0	362.821	1.755	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)CN1CCC(CC)([NH+]2CCOCC2)CC1	ZINC000599670678	553118246	/nfs/dbraw/zinc/11/82/46/553118246.db2.gz	YLRNCEVWVHIDRH-KRWDZBQOSA-N	1	0	350.507	1.571	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)C[C@H]1C[C@@H](O)C1	ZINC000599672401	553118752	/nfs/dbraw/zinc/11/87/52/553118752.db2.gz	OLAFUBPYEYDZEE-IYBDPMFKSA-N	1	0	362.474	1.654	20	30		FDEDRO
COC(=O)CCN1CCC[C@H]([N@@H+]2CCc3c(CC#N)cccc3C2)C1=O	ZINC000599678139	553120178	/nfs/dbraw/zinc/12/01/78/553120178.db2.gz	ORHLMAKBQBICLJ-SFHVURJKSA-N	1	0	355.438	1.665	20	30		FDEDRO
COc1cc(NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c(F)cc1C#N	ZINC000599810604	553153783	/nfs/dbraw/zinc/15/37/83/553153783.db2.gz	XJEGIBUNDZFAHB-ZDUSSCGKSA-N	1	0	350.394	1.674	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2	ZINC000599891834	553169002	/nfs/dbraw/zinc/16/90/02/553169002.db2.gz	RFUWEIXDIUISIF-MRXNPFEDSA-N	1	0	356.426	1.685	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1	ZINC000599900472	553171357	/nfs/dbraw/zinc/17/13/57/553171357.db2.gz	RTIYCMFEAGPHJJ-GXTWGEPZSA-N	1	0	368.359	1.677	20	30		FDEDRO
C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000599903882	553172162	/nfs/dbraw/zinc/17/21/62/553172162.db2.gz	QHKSHVJVVFPFEB-QPUJVOFHSA-N	1	0	351.204	1.126	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)c(F)cc1C#N	ZINC000599952597	553184125	/nfs/dbraw/zinc/18/41/25/553184125.db2.gz	MQDBRRIPWXRSKB-UHFFFAOYSA-N	1	0	350.394	1.348	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(OC)c(C#N)cc1F	ZINC000599980151	553191899	/nfs/dbraw/zinc/19/18/99/553191899.db2.gz	WIMQUWNXQGBFOT-ZDUSSCGKSA-N	1	0	362.405	1.635	20	30		FDEDRO
CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1	ZINC000600048064	553208323	/nfs/dbraw/zinc/20/83/23/553208323.db2.gz	OGAUIGPYJSNLJN-UHFFFAOYSA-N	1	0	374.416	1.349	20	30		FDEDRO
N#Cc1cc(Br)ccc1CC(=O)NCC[N@H+]1CC[C@@H](O)C1	ZINC000600534127	553281967	/nfs/dbraw/zinc/28/19/67/553281967.db2.gz	MZXGCKSFGLTXEP-CQSZACIVSA-N	1	0	352.232	1.046	20	30		FDEDRO
CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)CC2(C#N)CC2)cc1	ZINC000600714422	553305962	/nfs/dbraw/zinc/30/59/62/553305962.db2.gz	MBGJJBCGHJLDIF-INIZCTEOSA-N	1	0	365.499	1.861	20	30		FDEDRO
COc1cc(OC)c(OC)cc1C[NH2+]C[C@H](O)CC1(C#N)CCOCC1	ZINC000600716061	553306230	/nfs/dbraw/zinc/30/62/30/553306230.db2.gz	WBCNYFSGAJXCBE-OAHLLOKOSA-N	1	0	364.442	1.873	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)c(OC)c1OC	ZINC000600716302	553306417	/nfs/dbraw/zinc/30/64/17/553306417.db2.gz	DQFNWVWEEULQSK-HNNXBMFYSA-N	1	0	364.442	1.873	20	30		FDEDRO
COC(=O)c1ccc(OCC[NH2+]C[C@H](O)CC2(C#N)CCOCC2)cc1	ZINC000600721327	553307049	/nfs/dbraw/zinc/30/70/49/553307049.db2.gz	LFMVGNLHXREVQG-MRXNPFEDSA-N	1	0	362.426	1.513	20	30		FDEDRO
COC(=O)c1ccc(OCC[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)cc1	ZINC000600721326	553307240	/nfs/dbraw/zinc/30/72/40/553307240.db2.gz	LFMVGNLHXREVQG-INIZCTEOSA-N	1	0	362.426	1.513	20	30		FDEDRO
CC(C)CNS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)CC2(C#N)CC2)cc1	ZINC000600729511	553308238	/nfs/dbraw/zinc/30/82/38/553308238.db2.gz	AOMCWTYHWSRIGY-MRXNPFEDSA-N	1	0	365.499	1.765	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@H]2CCN(c3ncccc3Cl)C2)CCOCC1	ZINC000600731534	553308660	/nfs/dbraw/zinc/30/86/60/553308660.db2.gz	SZYKMXPLFPYGQN-GJZGRUSLSA-N	1	0	364.877	1.975	20	30		FDEDRO
CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2C#N)s1	ZINC000600732997	553308892	/nfs/dbraw/zinc/30/88/92/553308892.db2.gz	GIFVWJRXMKREHF-CYBMUJFWSA-N	1	0	366.464	1.553	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)CCOCC1	ZINC000600739777	553309704	/nfs/dbraw/zinc/30/97/04/553309704.db2.gz	FKHYYHGRVXGZOG-IAGOWNOFSA-N	1	0	364.490	1.328	20	30		FDEDRO
C=CCOc1ccc(C[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)cc1	ZINC000600814163	553317909	/nfs/dbraw/zinc/31/79/09/553317909.db2.gz	MTENOZMJYCFEED-SFHVURJKSA-N	1	0	368.499	1.830	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ncc(C#N)c3ccsc32)CC1	ZINC000601130521	553350773	/nfs/dbraw/zinc/35/07/73/553350773.db2.gz	MDNLYDOWPJFLJI-HNNXBMFYSA-N	1	0	355.467	1.911	20	30		FDEDRO
N#CCc1ccccc1S(=O)(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1	ZINC000601341672	553379800	/nfs/dbraw/zinc/37/98/00/553379800.db2.gz	IUWUFALBXXULFN-DLBZAZTESA-N	1	0	363.483	1.660	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2c(C)cc(F)cc2C#N)C[C@H]1[NH+](C)C	ZINC000601380412	553389622	/nfs/dbraw/zinc/38/96/22/553389622.db2.gz	LYXRGTOKCZHOHE-ZIAGYGMSSA-N	1	0	357.476	1.672	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)S(=O)(=O)CCCN1CC[NH+](C)CC1	ZINC000601448088	553408492	/nfs/dbraw/zinc/40/84/92/553408492.db2.gz	CFFKTVBLBFPFTR-MRXNPFEDSA-N	1	0	364.515	1.518	20	30		FDEDRO
Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)[C@@H]1CCC[C@H]1C#N	ZINC000601507563	553423748	/nfs/dbraw/zinc/42/37/48/553423748.db2.gz	DGTZBUSWTVPDJI-LSDHHAIUSA-N	1	0	353.492	1.374	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](n2cncn2)C(F)(F)F)cc1	ZINC000601969012	553497048	/nfs/dbraw/zinc/49/70/48/553497048.db2.gz	QWXBINXGFAZZGR-DZGCQCFKSA-N	1	0	369.347	1.477	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCCS(=O)(=O)CC3)C2=O)cc1	ZINC000602014182	553501500	/nfs/dbraw/zinc/50/15/00/553501500.db2.gz	CCSQNLYCAWDTCP-WBVHZDCISA-N	1	0	361.467	1.611	20	30		FDEDRO
C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CCC[C@@](C)(C#N)C3)cn2)CC1	ZINC000602035260	553505326	/nfs/dbraw/zinc/50/53/26/553505326.db2.gz	MVBMPLOMNILPRW-SFHVURJKSA-N	1	0	358.446	1.241	20	30		FDEDRO
C[NH+](C)[C@@H]1C[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1(C)C	ZINC000602173498	553533793	/nfs/dbraw/zinc/53/37/93/553533793.db2.gz	QPTPWHQNJMHPTD-HZPDHXFCSA-N	1	0	363.483	1.318	20	30		FDEDRO
COc1cccc([C@H](CNC(=O)N2CCN(CCC#N)CC2)[NH+](C)C)c1	ZINC000602224695	553542291	/nfs/dbraw/zinc/54/22/91/553542291.db2.gz	LDXHGNFVZXKRMW-SFHVURJKSA-N	1	0	359.474	1.539	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCC(C)(C)CC#N	ZINC000602280737	553555750	/nfs/dbraw/zinc/55/57/50/553555750.db2.gz	ZCUBCZCYWJPURK-WMZOPIPTSA-N	1	0	370.497	1.927	20	30		FDEDRO
C[NH+](C)CCOc1cc(C(=O)N2CC(=O)Nc3ccc(C#N)cc32)ccn1	ZINC000602346653	553567432	/nfs/dbraw/zinc/56/74/32/553567432.db2.gz	GLPJPMDLRSOPGK-UHFFFAOYSA-N	1	0	365.393	1.493	20	30		FDEDRO
C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C[C@@H](O)COc1ccccc1C#N	ZINC000602907142	553666528	/nfs/dbraw/zinc/66/65/28/553666528.db2.gz	NJUQMJVQQZQXRD-RTBURBONSA-N	1	0	373.497	1.873	20	30		FDEDRO
Cc1ccc(C(=O)NC2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)cc1	ZINC000602932029	553672058	/nfs/dbraw/zinc/67/20/58/553672058.db2.gz	OUOQMWQWMLLMBW-INIZCTEOSA-N	1	0	356.470	1.950	20	30		FDEDRO
CC(C)C[C@H](NC(=O)Nc1cc(F)cc(C#N)c1)C(=O)NCC[NH+](C)C	ZINC000603073771	553705734	/nfs/dbraw/zinc/70/57/34/553705734.db2.gz	OODAMWLEVSRBDY-INIZCTEOSA-N	1	0	363.437	1.911	20	30		FDEDRO
COCCOCc1cc(C#N)ccc1N1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000603314268	553762577	/nfs/dbraw/zinc/76/25/77/553762577.db2.gz	KIDVELQSISDGCZ-UHFFFAOYSA-N	1	0	374.485	1.322	20	30		FDEDRO
C[NH+]1CCC([C@H]2CCN(c3ccc(C#N)cc3CS(N)(=O)=O)C2)CC1	ZINC000603322915	553764528	/nfs/dbraw/zinc/76/45/28/553764528.db2.gz	YENWFTLWYFIOFC-INIZCTEOSA-N	1	0	362.499	1.515	20	30		FDEDRO
Cc1cc(S(=O)(=O)NCCCN2CCC[N@@H+](C)CC2)ccc1C#N	ZINC000603400952	553779743	/nfs/dbraw/zinc/77/97/43/553779743.db2.gz	CRFFWJOZOBHTMV-UHFFFAOYSA-N	1	0	350.488	1.173	20	30		FDEDRO
N#Cc1ccc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)c([N+](=O)[O-])c1	ZINC000603421801	553784159	/nfs/dbraw/zinc/78/41/59/553784159.db2.gz	CYIMSZLLGSKNHD-INIZCTEOSA-N	1	0	359.430	1.675	20	30		FDEDRO
CCc1nnc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)c(C#N)c1CC	ZINC000603422323	553784318	/nfs/dbraw/zinc/78/43/18/553784318.db2.gz	FZYJAEAQSZBKDI-MRXNPFEDSA-N	1	0	372.517	1.682	20	30		FDEDRO
N#Cc1cc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)c2ccccc2n1	ZINC000603422359	553784423	/nfs/dbraw/zinc/78/44/23/553784423.db2.gz	GQKJIOOTQPWVRQ-KRWDZBQOSA-N	1	0	365.481	1.737	20	30		FDEDRO
Cc1ccc(C(=O)NCC[NH2+]C[C@@H](O)COc2ccccc2C#N)cc1	ZINC000603853581	553820587	/nfs/dbraw/zinc/82/05/87/553820587.db2.gz	GPUDANJVGYIINZ-GOSISDBHSA-N	1	0	353.422	1.626	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1	ZINC000604208509	553854233	/nfs/dbraw/zinc/85/42/33/553854233.db2.gz	QLXCLWFQIPPKAC-KRWDZBQOSA-N	1	0	356.426	1.210	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H](NC(=O)N2CCCC2)[C@H](C)CC)CC1	ZINC000605509778	553993867	/nfs/dbraw/zinc/99/38/67/553993867.db2.gz	GDBCWTXAJXYAFI-WBVHZDCISA-N	1	0	350.507	1.973	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)c(NC(C)=O)c2C)CC1	ZINC000608536697	554283615	/nfs/dbraw/zinc/28/36/15/554283615.db2.gz	BSUNPGUMXQCAMX-UHFFFAOYSA-N	1	0	372.469	1.967	20	30		FDEDRO
CC[N@H+](CCNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)C1CC1	ZINC000608795298	554320793	/nfs/dbraw/zinc/32/07/93/554320793.db2.gz	IDXBNJZYDYOUFC-UHFFFAOYSA-N	1	0	372.473	1.740	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CNc1ccc(C#N)cc1	ZINC000608800289	554321332	/nfs/dbraw/zinc/32/13/32/554321332.db2.gz	GCVDRDFBBKLOAB-QGZVFWFLSA-N	1	0	357.458	1.029	20	30		FDEDRO
CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000608919408	554329181	/nfs/dbraw/zinc/32/91/81/554329181.db2.gz	GMZJYDAWPBHKCC-AWEZNQCLSA-N	1	0	374.489	1.986	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+]C(C)(C)COC	ZINC000609078323	554335871	/nfs/dbraw/zinc/33/58/71/554335871.db2.gz	YATMVKGYDJFLLW-UHFFFAOYSA-N	1	0	350.463	1.966	20	30		FDEDRO
C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(C#N)cc1	ZINC000609199562	554348873	/nfs/dbraw/zinc/34/88/73/554348873.db2.gz	AIAKVZXJSGMQMC-YOEHRIQHSA-N	1	0	357.458	1.506	20	30		FDEDRO
COCC[N@H+](C)CC[C@H](NC(=O)N1CCO[C@@H](C#N)C1)c1ccccc1	ZINC000609282572	554358477	/nfs/dbraw/zinc/35/84/77/554358477.db2.gz	YMNDJROYWYZYLJ-ROUUACIJSA-N	1	0	360.458	1.630	20	30		FDEDRO
N#CCN1CCC(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1	ZINC000609336179	554367954	/nfs/dbraw/zinc/36/79/54/554367954.db2.gz	RRPVUHFINPSPKP-UHFFFAOYSA-N	1	0	356.474	1.333	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)cc1	ZINC000609553193	554392196	/nfs/dbraw/zinc/39/21/96/554392196.db2.gz	KPPLOKQNBUQZCS-SFHVURJKSA-N	1	0	354.454	1.509	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)cc1	ZINC000609553509	554392526	/nfs/dbraw/zinc/39/25/26/554392526.db2.gz	VUDSBFGCFYEDEP-MOPGFXCFSA-N	1	0	371.481	1.827	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1	ZINC000609572743	554395216	/nfs/dbraw/zinc/39/52/16/554395216.db2.gz	ZQZDDZRAJGYAKQ-MISYRCLQSA-N	1	0	359.470	1.023	20	30		FDEDRO
N#CCN1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1	ZINC000609634710	554406220	/nfs/dbraw/zinc/40/62/20/554406220.db2.gz	WGNATXOEFHTORA-IBGZPJMESA-N	1	0	355.486	1.938	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc([S@@](C)=O)c2)CC1	ZINC000609944579	554441425	/nfs/dbraw/zinc/44/14/25/554441425.db2.gz	QBBWSYIUPUJMJR-RUZDIDTESA-N	1	0	363.483	1.519	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](N3CCC[N@H+](C[C@@H]4CCCO4)CC3)C2=O)cc1	ZINC000610002547	554447729	/nfs/dbraw/zinc/44/77/29/554447729.db2.gz	QVXFXUCLLKYYKB-VQTJNVASSA-N	1	0	368.481	1.850	20	30		FDEDRO
CCO[C@@H]1C[C@H](O)C12CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2	ZINC000610162127	554470196	/nfs/dbraw/zinc/47/01/96/554470196.db2.gz	WQAPPUOTJVSGQV-LISAXSMJSA-N	1	0	351.491	1.681	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@@H](N2CCC[N@H+](C[C@@H]3CCCO3)CC2)C1=O	ZINC000610582160	554534153	/nfs/dbraw/zinc/53/41/53/554534153.db2.gz	DGHCUCHJFVMEFJ-DLBZAZTESA-N	1	0	374.510	1.912	20	30		FDEDRO
COCCN(CCC#N)C(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1	ZINC000610987752	554591125	/nfs/dbraw/zinc/59/11/25/554591125.db2.gz	XQNRWSCGOALSFG-UHFFFAOYSA-N	1	0	358.486	1.896	20	30		FDEDRO
Cc1nnc2n1C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)CC2	ZINC000611014437	554594195	/nfs/dbraw/zinc/59/41/95/554594195.db2.gz	OABSVPJOOADJGL-GOSISDBHSA-N	1	0	366.469	1.611	20	30		FDEDRO
C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN(CCC#N)CC1	ZINC000611175601	554612461	/nfs/dbraw/zinc/61/24/61/554612461.db2.gz	JCLQJDXVJAVYLX-ICSRJNTNSA-N	1	0	369.513	1.297	20	30		FDEDRO
N#Cc1cccc(OC2CCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)CC2)c1	ZINC000611203468	554614901	/nfs/dbraw/zinc/61/49/01/554614901.db2.gz	DFQCKIICNMNMJU-IBGZPJMESA-N	1	0	354.454	1.318	20	30		FDEDRO
N#CCN1CCC(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1	ZINC000611314917	554624828	/nfs/dbraw/zinc/62/48/28/554624828.db2.gz	OFMXBQCBCWULJL-UHFFFAOYSA-N	1	0	356.474	1.585	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)NCc1ccc(OCC(N)=O)cc1)c1cccc(C#N)c1	ZINC000611386799	554630428	/nfs/dbraw/zinc/63/04/28/554630428.db2.gz	AAFCXAUXHMWFPJ-CQSZACIVSA-N	1	0	366.421	1.389	20	30		FDEDRO
N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1	ZINC000611394868	554630670	/nfs/dbraw/zinc/63/06/70/554630670.db2.gz	OHKQBZMEYQDNKE-AZUAARDMSA-N	1	0	368.481	1.458	20	30		FDEDRO
CC(C)(C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)NS(C)(=O)=O	ZINC000611438920	554633469	/nfs/dbraw/zinc/63/34/69/554633469.db2.gz	RZEYQDJTAJACGN-UHFFFAOYSA-N	1	0	364.515	1.440	20	30		FDEDRO
COC1CC[NH+](CCNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1	ZINC000611558310	554645893	/nfs/dbraw/zinc/64/58/93/554645893.db2.gz	DBOYVBSHTKVYSW-GOSISDBHSA-N	1	0	353.463	1.475	20	30		FDEDRO
Cc1onc(CC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)c1C#N	ZINC000611566660	554647637	/nfs/dbraw/zinc/64/76/37/554647637.db2.gz	WZCQBJOQUMFVNL-UHFFFAOYSA-N	1	0	360.458	1.748	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1	ZINC000613388263	554920180	/nfs/dbraw/zinc/92/01/80/554920180.db2.gz	NBCQYQZZSIOGCB-MOPGFXCFSA-N	1	0	359.470	1.340	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1	ZINC000613690277	554955003	/nfs/dbraw/zinc/95/50/03/554955003.db2.gz	BJXKBBKHSPNNDS-YLJYHZDGSA-N	1	0	369.513	1.669	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(Cn3cncn3)CC2)cc1	ZINC000614588286	555076999	/nfs/dbraw/zinc/07/69/99/555076999.db2.gz	RCCZGXDTCTZCFV-SFHVURJKSA-N	1	0	355.442	1.496	20	30		FDEDRO
COc1ccc([C@@H](CCn2cncn2)[NH2+]C2CCN(CC#N)CC2)cc1	ZINC000615085867	555156357	/nfs/dbraw/zinc/15/63/57/555156357.db2.gz	LWEHFDQSECFNEV-LJQANCHMSA-N	1	0	354.458	1.996	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1	ZINC000615104861	555161689	/nfs/dbraw/zinc/16/16/89/555161689.db2.gz	UJCDXYBOHPSBCH-HNNXBMFYSA-N	1	0	360.458	1.964	20	30		FDEDRO
Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3CC[C@](F)(C#N)C3)CC2)cc1	ZINC000615639424	555224280	/nfs/dbraw/zinc/22/42/80/555224280.db2.gz	SZMGTTVPFHVUCO-FQEVSTJZSA-N	1	0	358.461	1.967	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC[C@H]21	ZINC000616425590	555303438	/nfs/dbraw/zinc/30/34/38/555303438.db2.gz	XLZLCHDVDNPUBZ-RHSMWYFYSA-N	1	0	351.447	1.943	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)o1	ZINC000619429426	555775122	/nfs/dbraw/zinc/77/51/22/555775122.db2.gz	IWXWVEOCHCOYLE-HZPDHXFCSA-N	1	0	357.458	1.814	20	30		FDEDRO
CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000619568616	555800386	/nfs/dbraw/zinc/80/03/86/555800386.db2.gz	IWFJVXLWURYCBX-DLBZAZTESA-N	1	0	362.499	1.867	20	30		FDEDRO
C[C@@H](C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)n1cnc(C#N)n1	ZINC000619596138	555806123	/nfs/dbraw/zinc/80/61/23/555806123.db2.gz	UQSBNYHJAMRGEN-HNNXBMFYSA-N	1	0	360.462	1.110	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@@H](C)c3ccsc3)CC2)o1	ZINC000619783455	555833176	/nfs/dbraw/zinc/83/31/76/555833176.db2.gz	RXMYAXMKQPQFHK-LBPRGKRZSA-N	1	0	359.455	1.916	20	30		FDEDRO
CC(C)[C@H]([NH2+]CC#CCN1C(=O)c2ccccc2C1=O)C(=O)N1CCCC1	ZINC000625299577	556768285	/nfs/dbraw/zinc/76/82/85/556768285.db2.gz	ARXXMENNNCGSAL-SFHVURJKSA-N	1	0	367.449	1.523	20	30		FDEDRO
CN1CCC2(CC[NH+](CC#CCN3C(=O)c4ccccc4C3=O)CC2)C1=O	ZINC000625376325	556788049	/nfs/dbraw/zinc/78/80/49/556788049.db2.gz	OGGTUPNDZMODJX-UHFFFAOYSA-N	1	0	365.433	1.230	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c1	ZINC000625422285	556802972	/nfs/dbraw/zinc/80/29/72/556802972.db2.gz	QIZNIKJIJQKCPQ-HNNXBMFYSA-N	1	0	365.499	1.613	20	30		FDEDRO
C=CCc1cc(C[N@H+]2CCC[C@H](CS(=O)(=O)NC)C2)cc(OC)c1O	ZINC000628495841	557637995	/nfs/dbraw/zinc/63/79/95/557637995.db2.gz	BLEMCNMEQQGSAO-AWEZNQCLSA-N	1	0	368.499	1.891	20	30		FDEDRO
C=CCN=c1[nH]cc(C(=O)N2CCC(CC)([NH+]3CCOCC3)CC2)s1	ZINC000630027219	557874858	/nfs/dbraw/zinc/87/48/58/557874858.db2.gz	ORGBFXBWYUZFEH-UHFFFAOYSA-N	1	0	364.515	1.880	20	30		FDEDRO
CC(=O)c1cccc(C#N)c1OCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1	ZINC000631027527	557968837	/nfs/dbraw/zinc/96/88/37/557968837.db2.gz	AYIRXQFBTVQMSI-KRWDZBQOSA-N	1	0	373.453	1.613	20	30		FDEDRO
C=C(C)Cn1c(COCCOC)nnc1N1CCC([NH2+]C(C)C)CC1	ZINC000634384382	558457607	/nfs/dbraw/zinc/45/76/07/558457607.db2.gz	XYAZKEOVIKWAOD-UHFFFAOYSA-N	1	0	351.495	1.984	20	30		FDEDRO
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1	ZINC000635212664	558616350	/nfs/dbraw/zinc/61/63/50/558616350.db2.gz	NELFPPJNCCKDMR-CALCHBBNSA-N	1	0	357.458	1.798	20	30		FDEDRO
C=CCN(C(=O)CN(C)CCc1ccccc1)[C@@H]1CCS(=O)(=O)C1	ZINC000635402909	558675396	/nfs/dbraw/zinc/67/53/96/558675396.db2.gz	WLLQOABNNZGSMI-QGZVFWFLSA-N	1	0	350.484	1.363	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1	ZINC000636726340	567977561	/nfs/dbraw/zinc/97/75/61/567977561.db2.gz	NNPBDJJJSALGMT-SJLPKXTDSA-N	1	0	374.485	1.260	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000481489585	567991592	/nfs/dbraw/zinc/99/15/92/567991592.db2.gz	GMAQAXIAADAMDC-UHFFFAOYSA-N	1	0	358.423	1.473	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000366034439	568262771	/nfs/dbraw/zinc/26/27/71/568262771.db2.gz	NWKPGRUGBBHADF-RDTXWAMCSA-N	1	0	368.485	1.704	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1	ZINC000669185035	568344922	/nfs/dbraw/zinc/34/49/22/568344922.db2.gz	KVTHXWSAJCQBSD-UHFFFAOYSA-N	1	0	351.491	1.609	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@@H](C)Oc1ccccc1-c1nn[nH]n1	ZINC000821181058	607322453	/nfs/dbraw/zinc/32/24/53/607322453.db2.gz	JGPGBIUSRWEIQC-LSDHHAIUSA-N	1	0	371.441	1.911	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000735399295	598361554	/nfs/dbraw/zinc/36/15/54/598361554.db2.gz	RQACBJNBBAWQRV-AWEZNQCLSA-N	1	0	370.457	1.791	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)NCc1ccccc1C[NH+]1CCCC1	ZINC000272838357	674479605	/nfs/dbraw/zinc/47/96/05/674479605.db2.gz	MGAOEMQHDXNSNW-UHFFFAOYSA-N	1	0	365.499	1.682	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CCCN(c3ccc(-c4nn[nH]n4)nn3)CC2)cc1	ZINC000826384845	607988664	/nfs/dbraw/zinc/98/86/64/607988664.db2.gz	LRILURYCLGYGTP-UHFFFAOYSA-N	1	0	361.413	1.241	20	30		FDEDRO
C[N@@H+](CC#Cc1ccccc1Cl)CCCc1[nH]nc(N)c1-c1nn[nH]n1	ZINC000825888532	608035909	/nfs/dbraw/zinc/03/59/09/608035909.db2.gz	QUPPELZFTGKAOK-UHFFFAOYSA-N	1	0	370.848	1.742	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1	ZINC000824529541	608460404	/nfs/dbraw/zinc/46/04/04/608460404.db2.gz	GXMOZUIUYHDSMD-LXIYXOSZSA-N	1	0	355.446	1.960	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1	ZINC000274177042	674586088	/nfs/dbraw/zinc/58/60/88/674586088.db2.gz	CKUQBYNALUWFJS-AWEZNQCLSA-N	1	0	369.487	1.446	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1	ZINC000277155266	674872062	/nfs/dbraw/zinc/87/20/62/674872062.db2.gz	IVACDEURRYBROB-MRXNPFEDSA-N	1	0	363.483	1.154	20	30		FDEDRO
Cc1cc(S(=O)(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)ccc1C#N	ZINC000277779070	675037485	/nfs/dbraw/zinc/03/74/85/675037485.db2.gz	FGLKWDXFWJGSJK-HNNXBMFYSA-N	1	0	350.488	1.171	20	30		FDEDRO
C=C(C)C[N@H+](CC)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000053778633	671197510	/nfs/dbraw/zinc/19/75/10/671197510.db2.gz	IWDSBFIAXQMUGK-UHFFFAOYSA-N	1	0	368.499	1.984	20	30		FDEDRO
C[NH+]=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)N1CCC(C)CC1	ZINC000088688466	671490622	/nfs/dbraw/zinc/49/06/22/671490622.db2.gz	ACWRZEBAAKEJKZ-UHFFFAOYSA-N	1	0	366.478	1.558	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)NCCC1(O)CCOCC1)C(C)C	ZINC000287013836	675910950	/nfs/dbraw/zinc/91/09/50/675910950.db2.gz	ROKHQLAWAXWRSU-KRWDZBQOSA-N	1	0	353.507	1.916	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)CC[N@H+](C)C2CC2)cc1	ZINC000287117172	675912569	/nfs/dbraw/zinc/91/25/69/675912569.db2.gz	KKXLPYRODYHYOP-ZDUSSCGKSA-N	1	0	364.471	1.930	20	30		FDEDRO
C[C@@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)Cn1cccn1	ZINC000104174819	671594668	/nfs/dbraw/zinc/59/46/68/671594668.db2.gz	JUYFANAPJUMROJ-AWEZNQCLSA-N	1	0	350.467	1.387	20	30		FDEDRO
[NH2+]=C(NCCNC(=O)c1ccc(Br)cc1)N1CCSCC1	ZINC000104176738	671595049	/nfs/dbraw/zinc/59/50/49/671595049.db2.gz	RRQJJRZJLAPWJR-UHFFFAOYSA-N	1	0	371.304	1.542	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)NCC[N@@H+](C)CCCC)c1	ZINC000112309452	671639477	/nfs/dbraw/zinc/63/94/77/671639477.db2.gz	FNMSRTCQGVXUOR-UHFFFAOYSA-N	1	0	351.472	1.060	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1CC(N)=NOCc1ccc(S(=O)(=O)N(C)C)cc1	ZINC000120282419	671687272	/nfs/dbraw/zinc/68/72/72/671687272.db2.gz	LENBRFJNIYHPIX-CQSZACIVSA-N	1	0	368.503	1.600	20	30		FDEDRO
CCCS(=O)(=O)N1CCC([NH2+]Cc2ccc(OC)c(C#N)c2)CC1	ZINC000124982491	671743452	/nfs/dbraw/zinc/74/34/52/671743452.db2.gz	ZJGULVJKGKMXRH-UHFFFAOYSA-N	1	0	351.472	1.861	20	30		FDEDRO
[NH2+]=C(NC[C@]1(CCO)CCOC1)N1CCN(c2ccc(F)cc2)CC1	ZINC000126129375	671756040	/nfs/dbraw/zinc/75/60/40/671756040.db2.gz	MMWHXCYZZULCRM-SFHVURJKSA-N	1	0	350.438	1.052	20	30		FDEDRO
[NH2+]=C(NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1)N1CCOCC1	ZINC000128892658	671781539	/nfs/dbraw/zinc/78/15/39/671781539.db2.gz	PBPGNRHFGMLOOU-ZDUSSCGKSA-N	1	0	361.364	1.383	20	30		FDEDRO
CC[NH+]=C(NCC1CCN(C(C)=O)CC1)NC[C@]1(C)CCCC[C@@H]1O	ZINC000130763073	671797494	/nfs/dbraw/zinc/79/74/94/671797494.db2.gz	MBGKKJJWEGGBLG-HKUYNNGSSA-N	1	0	352.523	1.741	20	30		FDEDRO
CO[C@@H](CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12)C(C)(C)C	ZINC000133965932	671824884	/nfs/dbraw/zinc/82/48/84/671824884.db2.gz	VJQMUXUFAMGYFW-KBPBESRZSA-N	1	0	354.495	1.928	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(F)cc1OCC#N	ZINC000135325684	671836325	/nfs/dbraw/zinc/83/63/25/671836325.db2.gz	UDANHKUXBALUDD-AWEZNQCLSA-N	1	0	350.394	1.960	20	30		FDEDRO
C=C(Br)CNC(=[NH+]CC)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158614280	671981267	/nfs/dbraw/zinc/98/12/67/671981267.db2.gz	KIRWKBHHPZSMFH-UHFFFAOYSA-N	1	0	352.298	1.370	20	30		FDEDRO
C[NH+]=C(NCc1ccn(C2CCCC2)n1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158639253	671981780	/nfs/dbraw/zinc/98/17/80/671981780.db2.gz	QHNNVFRAMSTLKD-UHFFFAOYSA-N	1	0	367.519	1.583	20	30		FDEDRO
CC[NH+]=C(NCCSC(F)(F)F)N1CCS(=O)(=O)C(C)(C)C1	ZINC000179203320	672156140	/nfs/dbraw/zinc/15/61/40/672156140.db2.gz	XATUTQGDFJIHBC-UHFFFAOYSA-N	1	0	361.455	1.714	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCC3(CO)CCCC3)=[NH+]C[C@@H]2C1	ZINC000184656843	672248148	/nfs/dbraw/zinc/24/81/48/672248148.db2.gz	XOCYVXZLLLAHQM-CQSZACIVSA-N	1	0	352.479	1.420	20	30		FDEDRO
C[C@@H](CNC(=O)C#Cc1ccc(C(F)(F)F)cc1)N1CC[NH+](C)CC1	ZINC000191729719	672346982	/nfs/dbraw/zinc/34/69/82/672346982.db2.gz	YRFPWNIHEDQWQK-AWEZNQCLSA-N	1	0	353.388	1.809	20	30		FDEDRO
CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(C)(C)[NH3+])cc1	ZINC000237071046	672420304	/nfs/dbraw/zinc/42/03/04/672420304.db2.gz	MXOQESXVLDRWKJ-HMMYKYKNSA-N	1	0	366.487	1.955	20	30		FDEDRO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCCC[C@H]2CO)CC1	ZINC000245608203	672453726	/nfs/dbraw/zinc/45/37/26/672453726.db2.gz	ADCLVKJEBXRWQY-HOTGVXAUSA-N	1	0	362.499	1.304	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@@]2(CO)CC[C@@H](C)C2)CC1	ZINC000249551598	672569481	/nfs/dbraw/zinc/56/94/81/672569481.db2.gz	IDUWEKOTAKMOJE-LMMKCTJWSA-N	1	0	350.507	1.162	20	30		FDEDRO
C[NH+]=C(NCc1sc(C)nc1C)NCC1CCN(S(C)(=O)=O)CC1	ZINC000261598143	672632950	/nfs/dbraw/zinc/63/29/50/672632950.db2.gz	AKPJEAGHKOZYNR-UHFFFAOYSA-N	1	0	373.548	1.097	20	30		FDEDRO
C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1	ZINC000261660690	672644764	/nfs/dbraw/zinc/64/47/64/672644764.db2.gz	NWWRICJEVOWOLQ-GVDBMIGSSA-N	1	0	370.563	1.792	20	30		FDEDRO
C[NH+]=C(NC[C@]1(CCO)CCOC1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2	ZINC000261663561	672645835	/nfs/dbraw/zinc/64/58/35/672645835.db2.gz	BCRVVOHWYWQOQD-DFGXFYAUSA-N	1	0	351.491	1.288	20	30		FDEDRO
C[NH+]=C(NCc1nnc(C)n1C)N[C@H]1CCN(c2cccc(Cl)c2)C1	ZINC000261665097	672646460	/nfs/dbraw/zinc/64/64/60/672646460.db2.gz	GHJZNYMWFIMCEZ-AWEZNQCLSA-N	1	0	361.881	1.721	20	30		FDEDRO
CN(C)C(NCc1ccccc1)=[NH+]CC1CCN(S(C)(=O)=O)CC1	ZINC000261686105	672650834	/nfs/dbraw/zinc/65/08/34/672650834.db2.gz	RDRVSKASDZJGHB-UHFFFAOYSA-N	1	0	352.504	1.365	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCCN1S(C)(=O)=O)N1CCS[C@H](C(C)C)C1	ZINC000261756365	672665888	/nfs/dbraw/zinc/66/58/88/672665888.db2.gz	MMKIVGIRCUMRCZ-KGLIPLIRSA-N	1	0	362.565	1.059	20	30		FDEDRO
CCCNC(=[NH+]C)N1CCN(c2ncc(Br)c(OC)n2)CC1	ZINC000261775308	672670033	/nfs/dbraw/zinc/67/00/33/672670033.db2.gz	PPGBGCKIDUCDDP-UHFFFAOYSA-N	1	0	371.283	1.355	20	30		FDEDRO
CCc1nsc(N2CCN(C(NCC3CCSCC3)=[NH+]C)CC2)n1	ZINC000261788339	672672389	/nfs/dbraw/zinc/67/23/89/672672389.db2.gz	QBQJPXPKPUJXML-UHFFFAOYSA-N	1	0	368.576	1.941	20	30		FDEDRO
CC[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N[C@@H]1C[C@@H](OC)C1(C)C	ZINC000261809854	672675534	/nfs/dbraw/zinc/67/55/34/672675534.db2.gz	SLZNVHLNIRTNRA-HUUCEWRRSA-N	1	0	374.551	1.027	20	30		FDEDRO
C[NH+]=C(NCC(=O)NCc1ccco1)N1CCN(c2cccs2)CC1	ZINC000261820013	672677309	/nfs/dbraw/zinc/67/73/09/672677309.db2.gz	UKBDSAXUSPJMJC-UHFFFAOYSA-N	1	0	361.471	1.355	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(=[NH+]C)N2CCC[C@H](CC(N)=O)C2)C12CCCC2	ZINC000261847465	672682434	/nfs/dbraw/zinc/68/24/34/672682434.db2.gz	XPDGJNXWNRPPBW-OWCLPIDISA-N	1	0	350.507	1.887	20	30		FDEDRO
CC[C@H](C)NC(=[NH2+])NCC(=O)Nc1ccc(I)cc1	ZINC000261914119	672693303	/nfs/dbraw/zinc/69/33/03/672693303.db2.gz	YXOZDVCHEQPYEY-VIFPVBQESA-N	1	0	374.226	1.933	20	30		FDEDRO
C[NH+]=C(NCc1cc(OC)ccc1OC)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261940442	672697861	/nfs/dbraw/zinc/69/78/61/672697861.db2.gz	DLCFLDCBYHQCSJ-UHFFFAOYSA-N	1	0	369.487	1.288	20	30		FDEDRO
C[NH+]=C(NC[C@]1(N(C)C)CCC[C@@H](C)C1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261943804	672698590	/nfs/dbraw/zinc/69/85/90/672698590.db2.gz	FGDSUNWTBAYQCS-QAPCUYQASA-N	1	0	372.579	1.581	20	30		FDEDRO
CCS(=O)(=O)NCCNC(N[C@@H]1CC(C)(C)Oc2ccccc21)=[NH+]C	ZINC000261962100	672703031	/nfs/dbraw/zinc/70/30/31/672703031.db2.gz	KKOGQTNFDKVZLP-CQSZACIVSA-N	1	0	368.503	1.393	20	30		FDEDRO
C[NH+]=C(NC[C@]1(N2CCOCC2)CCSC1)NC[C@]1(C)CCCS1	ZINC000261961251	672703067	/nfs/dbraw/zinc/70/30/67/672703067.db2.gz	KFVNJSKUSGMJBD-DLBZAZTESA-N	1	0	372.604	1.645	20	30		FDEDRO
CC[NH+]=C(NC[C@H](C)N1CCC(C)CC1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261977438	672705802	/nfs/dbraw/zinc/70/58/02/672705802.db2.gz	OAKISMDVPCATSW-INIZCTEOSA-N	1	0	372.579	1.581	20	30		FDEDRO
Cc1nnc(CNC(=[NH+]C[C@@H]2CCCO2)N2CCSC(C)(C)C2)n1C	ZINC000261978895	672705864	/nfs/dbraw/zinc/70/58/64/672705864.db2.gz	OJTPXHGVFWEIQM-AWEZNQCLSA-N	1	0	366.535	1.576	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000262003487	672710038	/nfs/dbraw/zinc/71/00/38/672710038.db2.gz	UZARPVFEOVRPTB-RRFJBIMHSA-N	1	0	371.547	1.665	20	30		FDEDRO
CC[NH+]=C(NCc1cccc(S(N)(=O)=O)c1)N1CCS[C@@H](CC)C1	ZINC000262003809	672710273	/nfs/dbraw/zinc/71/02/73/672710273.db2.gz	UKSYEUJIUFMAJY-AWEZNQCLSA-N	1	0	370.544	1.627	20	30		FDEDRO
C[NH+]=C(NC[C@]1(O)CCSC1)N(C)Cc1nc(-c2ccccc2)c[nH]1	ZINC000262009120	672711491	/nfs/dbraw/zinc/71/14/91/672711491.db2.gz	WFSCIHVUFBONTP-GOSISDBHSA-N	1	0	359.499	1.952	20	30		FDEDRO
CCC[C@]1(C)CCCN(C(NC[C@@H]2CCN(S(C)(=O)=O)C2)=[NH+]C)C1	ZINC000262016370	672712234	/nfs/dbraw/zinc/71/22/34/672712234.db2.gz	VTBFWVRBILGOEZ-DOTOQJQBSA-N	1	0	358.552	1.746	20	30		FDEDRO
CC[NH+]=C(NC[C@H](O)C1CCCCC1)N1CCN(C(=O)C(C)C)CC1	ZINC000262238242	672752071	/nfs/dbraw/zinc/75/20/71/672752071.db2.gz	OKDQUWKBISIDFZ-KRWDZBQOSA-N	1	0	352.523	1.693	20	30		FDEDRO
C[NH+]=C(NCC(=O)N(C)C)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1	ZINC000262282985	672761280	/nfs/dbraw/zinc/76/12/80/672761280.db2.gz	JNCSTBNBDFSBHX-NSHDSACASA-N	1	0	372.300	1.825	20	30		FDEDRO
[NH2+]=C(NCc1cccc(C(F)(F)F)c1)NC[C@H]1CCCS(=O)(=O)C1	ZINC000262291386	672763229	/nfs/dbraw/zinc/76/32/29/672763229.db2.gz	HGNGGEGDRKDLRL-GFCCVEGCSA-N	1	0	363.405	1.935	20	30		FDEDRO
O=S1(=O)CC[C@@H](CNC(NCc2ccccn2)=[NH+]C2CCCC2)C1	ZINC000262329808	672771050	/nfs/dbraw/zinc/77/10/50/672771050.db2.gz	ARVLWLOJMKLRPQ-AWEZNQCLSA-N	1	0	350.488	1.494	20	30		FDEDRO
CC[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N[C@@H]1CCOc2ccc(F)cc21	ZINC000262349913	672774867	/nfs/dbraw/zinc/77/48/67/672774867.db2.gz	FALBGYPBDSMVMM-IUODEOHRSA-N	1	0	369.462	1.639	20	30		FDEDRO
COc1cccc(Cl)c1CNC(=[NH2+])N1CCN(c2ncccn2)CC1	ZINC000262386156	672780796	/nfs/dbraw/zinc/78/07/96/672780796.db2.gz	OURQHZUOPOGHHT-UHFFFAOYSA-N	1	0	360.849	1.776	20	30		FDEDRO
CC(C)C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C	ZINC000262389629	672781585	/nfs/dbraw/zinc/78/15/85/672781585.db2.gz	LXZVGULDSRXNLN-CAOSSQGBSA-N	1	0	371.547	1.426	20	30		FDEDRO
CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=[NH2+])Nc1ccc2c(c1)CCC2	ZINC000262403068	672783692	/nfs/dbraw/zinc/78/36/92/672783692.db2.gz	OBVNIYUYVCVCLW-GDBMZVCRSA-N	1	0	350.488	1.620	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N(C)Cc1ccc(Cl)c(F)c1	ZINC000262414596	672785915	/nfs/dbraw/zinc/78/59/15/672785915.db2.gz	PZVIJVWXFJCPIA-GFCCVEGCSA-N	1	0	361.870	1.921	20	30		FDEDRO
C[NH+]=C(NC[C@]1(O)CCSC1)N1CCN(c2ccc(F)cc2)CC1	ZINC000262425731	672787642	/nfs/dbraw/zinc/78/76/42/672787642.db2.gz	RPFSTHWHBKXXTM-QGZVFWFLSA-N	1	0	352.479	1.391	20	30		FDEDRO
CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](N2CCCCC2)C1	ZINC000262442724	672790586	/nfs/dbraw/zinc/79/05/86/672790586.db2.gz	UWNDSBCFRQTCEH-DLBZAZTESA-N	1	0	370.563	1.337	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(=[NH+]C2CCCC2)N2CC[C@]3(CCOC3)C2)C1	ZINC000262450525	672791513	/nfs/dbraw/zinc/79/15/13/672791513.db2.gz	VVPJEJHJLCCVGJ-QAPCUYQASA-N	1	0	369.531	1.422	20	30		FDEDRO
CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](C2CCOCC2)C1	ZINC000262467909	672794791	/nfs/dbraw/zinc/79/47/91/672794791.db2.gz	YOOSLOLJUIVIOX-RDJZCZTQSA-N	1	0	371.547	1.525	20	30		FDEDRO
[NH2+]=C(NCc1nc(C(F)(F)F)cs1)N1CCN(c2ncccn2)CC1	ZINC000262503243	672800105	/nfs/dbraw/zinc/80/01/05/672800105.db2.gz	ARCOUIAQMFMFRC-UHFFFAOYSA-N	1	0	371.392	1.589	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1COCCO1)N1CCN(c2cccc(Cl)c2)CC1	ZINC000262581468	672810987	/nfs/dbraw/zinc/81/09/87/672810987.db2.gz	QXXGNLWZAZBATJ-MRXNPFEDSA-N	1	0	352.866	1.453	20	30		FDEDRO
CN1CC[NH+]=C1NCc1ccc(Br)cc1N1CCOCC1	ZINC000262655482	672826333	/nfs/dbraw/zinc/82/63/33/672826333.db2.gz	LPFMYULVYCPKOS-UHFFFAOYSA-N	1	0	353.264	1.677	20	30		FDEDRO
[NH2+]=C(NCCS(=O)(=O)C1CC1)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000263184265	672865814	/nfs/dbraw/zinc/86/58/14/672865814.db2.gz	UQWNBJVHGZLQTO-UHFFFAOYSA-N	1	0	370.906	1.354	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCC[N@@H+](C)C2CCCC2)c1	ZINC000264138930	672902945	/nfs/dbraw/zinc/90/29/45/672902945.db2.gz	GAODJIGFOHHRCR-UHFFFAOYSA-N	1	0	365.499	1.755	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NCc1cc(OC)c(OC)cc1Br	ZINC000264292625	672906901	/nfs/dbraw/zinc/90/69/01/672906901.db2.gz	PZDHLXBWPBWLNU-SECBINFHSA-N	1	0	360.252	1.906	20	30		FDEDRO
C=C(Cl)CNC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C	ZINC000265707700	672974510	/nfs/dbraw/zinc/97/45/10/672974510.db2.gz	VSVLMWGVZLSHHW-UHFFFAOYSA-N	1	0	364.877	1.944	20	30		FDEDRO
C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1	ZINC000289222070	676106795	/nfs/dbraw/zinc/10/67/95/676106795.db2.gz	NQGOJTHGGRQXFH-UHFFFAOYSA-N	1	0	365.231	1.423	20	30		FDEDRO
CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(S(=O)(=O)Cc2ccc(C#N)cc2)C1	ZINC000289260634	676112537	/nfs/dbraw/zinc/11/25/37/676112537.db2.gz	VFDMLCXWZXLPDG-ROUUACIJSA-N	1	0	363.483	1.573	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@]1([NH+](C)C)CCSC1	ZINC000267090782	673248877	/nfs/dbraw/zinc/24/88/77/673248877.db2.gz	IMZPYZDJNVHYHL-GOSISDBHSA-N	1	0	362.499	1.762	20	30		FDEDRO
C#CCOc1ccccc1C[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1	ZINC000289317660	676119812	/nfs/dbraw/zinc/11/98/12/676119812.db2.gz	FJQPBVWARXAEJO-MRXNPFEDSA-N	1	0	350.484	1.802	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NC[C@]2(N(C)C)CCSC2)cc1OC	ZINC000267187686	673266139	/nfs/dbraw/zinc/26/61/39/673266139.db2.gz	NZUBBTMSDMQYQD-GOSISDBHSA-N	1	0	366.531	1.588	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1	ZINC000289478436	676142235	/nfs/dbraw/zinc/14/22/35/676142235.db2.gz	NVMMXHXLEIESOZ-KBPBESRZSA-N	1	0	361.408	1.966	20	30		FDEDRO
C[N@H+]1CC=C(CNS(=O)(=O)c2ccc(C#N)c(Br)c2)CC1	ZINC000278801585	675199158	/nfs/dbraw/zinc/19/91/58/675199158.db2.gz	MWMRDDPSHXTZKV-UHFFFAOYSA-N	1	0	370.272	1.861	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)NC[C@@H](C)[N@H+](C)C3CC3)CC2)c1C#N	ZINC000290651191	676221048	/nfs/dbraw/zinc/22/10/48/676221048.db2.gz	FJYZWPPVUJJIHK-GFCCVEGCSA-N	1	0	362.503	1.638	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(CNC(=O)C(F)(F)F)CC1	ZINC000281377399	675514444	/nfs/dbraw/zinc/51/44/44/675514444.db2.gz	OWOSMLDGLJJODJ-CYBMUJFWSA-N	1	0	361.408	1.966	20	30		FDEDRO
Cc1cccc(CN(CC[NH+](C)C)S(=O)(=O)N(C)C[C@H](C)C#N)c1	ZINC000282621403	675637947	/nfs/dbraw/zinc/63/79/47/675637947.db2.gz	JYZIVVKJSSANLQ-MRXNPFEDSA-N	1	0	352.504	1.695	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2c(F)cccc2F)CC1	ZINC000284638411	675736318	/nfs/dbraw/zinc/73/63/18/675736318.db2.gz	LQTCHJUVGKLBMQ-UHFFFAOYSA-N	1	0	351.397	1.390	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C)c(OC(F)F)c1	ZINC000293378947	676348157	/nfs/dbraw/zinc/34/81/57/676348157.db2.gz	MRCQMJRWVJBRLB-UHFFFAOYSA-N	1	0	353.369	1.606	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1	ZINC000293903352	676370176	/nfs/dbraw/zinc/37/01/76/676370176.db2.gz	FJHAIQRNHUYIDF-UHFFFAOYSA-N	1	0	371.890	1.032	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2sccc2C#N)CCCO1	ZINC000294395588	676383330	/nfs/dbraw/zinc/38/33/30/676383330.db2.gz	SEDSAUVAMZBQNB-GFCCVEGCSA-N	1	0	350.444	1.175	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N[C@@H](CO)c1ccc(Br)cc1	ZINC000296993363	676422486	/nfs/dbraw/zinc/42/24/86/676422486.db2.gz	STWCRPXQOYFEKW-HNNXBMFYSA-N	1	0	368.275	1.737	20	30		FDEDRO
CNS(=O)(=O)Cc1ccc(CNC(NCc2ccco2)=[NH+]C)cc1	ZINC000303395373	676542656	/nfs/dbraw/zinc/54/26/56/676542656.db2.gz	HCKLQQBQRRPOIJ-UHFFFAOYSA-N	1	0	350.444	1.194	20	30		FDEDRO
[NH2+]=C(NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)NCC1CCC1	ZINC000303988115	676544025	/nfs/dbraw/zinc/54/40/25/676544025.db2.gz	WFSUPFCOIWMWMX-UHFFFAOYSA-N	1	0	363.893	1.693	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@]2(C)CCCC[C@H]2O)CC1	ZINC000304714744	676544114	/nfs/dbraw/zinc/54/41/14/676544114.db2.gz	MWTWSMLJLVEEDW-KDOFPFPSSA-N	1	0	354.495	1.795	20	30		FDEDRO
CCN(CCCNC(=[NH2+])Nc1cccc2c1CCCC2)S(C)(=O)=O	ZINC000304711567	676544154	/nfs/dbraw/zinc/54/41/54/676544154.db2.gz	YOUGOYUZNHLEEB-UHFFFAOYSA-N	1	0	352.504	1.964	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CN/C([O-])=[NH+]/Cc2cn3ccsc3n2)C1	ZINC000328657777	676600927	/nfs/dbraw/zinc/60/09/27/676600927.db2.gz	PTFXSVJEAWGIMF-CQSZACIVSA-N	1	0	351.476	1.756	20	30		FDEDRO
CNS(=O)(=O)c1cccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1	ZINC000328658972	676601039	/nfs/dbraw/zinc/60/10/39/676601039.db2.gz	RYNMGJICVYOLLY-CABCVRRESA-N	1	0	352.460	1.357	20	30		FDEDRO
C[C@H](C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CCN(C)CC1	ZINC000328984966	676615001	/nfs/dbraw/zinc/61/50/01/676615001.db2.gz	ZJUMZUKYPNCOID-NXHRZFHOSA-N	1	0	352.523	1.347	20	30		FDEDRO
C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1	ZINC000329011363	676616077	/nfs/dbraw/zinc/61/60/77/676616077.db2.gz	DRHDOSHWTOLOQT-NWGLXNPWSA-N	1	0	351.491	1.637	20	30		FDEDRO
C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000329036760	676616720	/nfs/dbraw/zinc/61/67/20/676616720.db2.gz	NAYRMQOPCJIDMQ-ILYVXUQDSA-N	1	0	351.491	1.779	20	30		FDEDRO
CCN(C(=O)NCC1([NH+]2CCCC2)CCOCC1)[C@H]1CCS(=O)(=O)C1	ZINC000329103197	676620073	/nfs/dbraw/zinc/62/00/73/676620073.db2.gz	FZLFWGVVWNWCFO-HNNXBMFYSA-N	1	0	373.519	1.054	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3nc(CN4CCOCC4)cs3)[C@H]2C1	ZINC000329240137	676627837	/nfs/dbraw/zinc/62/78/37/676627837.db2.gz	MLIICUPMDVYIBR-ZFWWWQNUSA-N	1	0	365.503	1.547	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O	ZINC000329355827	676635037	/nfs/dbraw/zinc/63/50/37/676635037.db2.gz	GTPPVHCPYYHLFY-HZPDHXFCSA-N	1	0	364.877	1.895	20	30		FDEDRO
CO[C@@H]1[C@H](C)[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1(C)C	ZINC000329375157	676636038	/nfs/dbraw/zinc/63/60/38/676636038.db2.gz	LGRHCQODMLTCPL-FYNNLBNCSA-N	1	0	353.507	1.927	20	30		FDEDRO
C[N@@H+]1CCCN(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)CC1	ZINC000329394421	676636885	/nfs/dbraw/zinc/63/68/85/676636885.db2.gz	VFCDEONCGNIMQF-UHFFFAOYSA-N	1	0	370.450	1.549	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000329411917	676637605	/nfs/dbraw/zinc/63/76/05/676637605.db2.gz	YGURWZXBEKBBTL-CVEARBPZSA-N	1	0	352.479	1.591	20	30		FDEDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1ccc(OCC(F)(F)F)nc1	ZINC000329434201	676638548	/nfs/dbraw/zinc/63/85/48/676638548.db2.gz	ISRNZIYPGRCGCM-LBPRGKRZSA-N	1	0	361.368	1.594	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)CC1	ZINC000329434959	676638574	/nfs/dbraw/zinc/63/85/74/676638574.db2.gz	JKHFUFBYJXIWJC-DYVFJYSZSA-N	1	0	351.451	1.882	20	30		FDEDRO
C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1	ZINC000329541005	676643290	/nfs/dbraw/zinc/64/32/90/676643290.db2.gz	DGCZMKUEXHWTJQ-APIJFGDWSA-N	1	0	359.536	1.680	20	30		FDEDRO
Cc1nccc(N2CCN(C(=O)NC[C@]3([NH+](C)C)CCSC3)CC2)n1	ZINC000329569942	676644658	/nfs/dbraw/zinc/64/46/58/676644658.db2.gz	MBKLDWRGEDSFRA-QGZVFWFLSA-N	1	0	364.519	1.258	20	30		FDEDRO
CCc1nnc(CNC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)s1	ZINC000329618029	676646279	/nfs/dbraw/zinc/64/62/79/676646279.db2.gz	QHLMJCUCFVYOCS-LBPRGKRZSA-N	1	0	353.492	1.700	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)CC1	ZINC000329656137	676648029	/nfs/dbraw/zinc/64/80/29/676648029.db2.gz	MKRMMGFFADCXEA-CQSZACIVSA-N	1	0	351.495	1.510	20	30		FDEDRO
O=S1(=O)CCN(C([O-])=[NH+][C@@H]2CCc3nc[nH]c3C2)[C@@H]2CCCC[C@H]21	ZINC000329686625	676649443	/nfs/dbraw/zinc/64/94/43/676649443.db2.gz	FSIYCRLQSYEDLR-KCPJHIHWSA-N	1	0	352.460	1.223	20	30		FDEDRO
C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC1CCN(C(=O)C2CC2)CC1	ZINC000329800927	676657264	/nfs/dbraw/zinc/65/72/64/676657264.db2.gz	YMATUFYTYZZPGF-AWEZNQCLSA-N	1	0	350.507	1.964	20	30		FDEDRO
CS[C@@H]1CN(C(=O)CNC(=O)NC2CCCCC2)C[C@@H]1[NH+]1CCCC1	ZINC000329837957	676660057	/nfs/dbraw/zinc/66/00/57/676660057.db2.gz	MFYRANNCQAWIGA-JKSUJKDBSA-N	1	0	368.547	1.861	20	30		FDEDRO
C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CN2CCN(S(C)(=O)=O)CC2)C1	ZINC000329964927	676665947	/nfs/dbraw/zinc/66/59/47/676665947.db2.gz	UCECSFCEPHGKPS-OAHLLOKOSA-N	1	0	374.551	1.031	20	30		FDEDRO
CC(=O)N1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)[C@@H](C)C1	ZINC000330080401	676671452	/nfs/dbraw/zinc/67/14/52/676671452.db2.gz	JHFGGTNVEWJPBF-HNNXBMFYSA-N	1	0	352.479	1.098	20	30		FDEDRO
C[NH+](C)[C@@]1(CNC(=O)N2CCC(N3CCCCC3=O)CC2)CCSC1	ZINC000330093811	676672188	/nfs/dbraw/zinc/67/21/88/676672188.db2.gz	SAEHXPXJAAPZCO-GOSISDBHSA-N	1	0	368.547	1.815	20	30		FDEDRO
COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O	ZINC000330397083	676688811	/nfs/dbraw/zinc/68/88/11/676688811.db2.gz	OQEUUNGJVUZEOD-CWVYHPPDSA-N	1	0	355.479	1.313	20	30		FDEDRO
CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)ccc1OC	ZINC000330594959	676697708	/nfs/dbraw/zinc/69/77/08/676697708.db2.gz	QOGOITZVYZICQL-CHWSQXEVSA-N	1	0	355.460	1.391	20	30		FDEDRO
CC(C)(O)C[NH+]1CCN(C(=O)Nc2cccc(CS(C)(=O)=O)c2)CC1	ZINC000330659623	676700167	/nfs/dbraw/zinc/70/01/67/676700167.db2.gz	ASZDDJJTVSPNKC-UHFFFAOYSA-N	1	0	369.487	1.165	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)cnc2N(C)C)C1	ZINC000330771604	676703620	/nfs/dbraw/zinc/70/36/20/676703620.db2.gz	VNNDJPPGONONLA-GFCCVEGCSA-N	1	0	371.279	1.935	20	30		FDEDRO
C[C@H](C[S@](C)=O)NC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1	ZINC000330875479	676707803	/nfs/dbraw/zinc/70/78/03/676707803.db2.gz	ZTRCDHOIJLPZSV-MYYSRTQBSA-N	1	0	358.552	1.017	20	30		FDEDRO
C[C@@H]1[C@H](C)N(C(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)CC[N@H+]1C	ZINC000330897398	676708597	/nfs/dbraw/zinc/70/85/97/676708597.db2.gz	UESMYIFDULFLNC-NEPJUHHUSA-N	1	0	357.451	1.940	20	30		FDEDRO
COc1ccc(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cc1NS(C)(=O)=O	ZINC000330901889	676708799	/nfs/dbraw/zinc/70/87/99/676708799.db2.gz	XCPMTXCPLGMQFB-NWDGAFQWSA-N	1	0	370.475	1.637	20	30		FDEDRO
Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1S(=O)(=O)NCC#N	ZINC000330914249	676710214	/nfs/dbraw/zinc/71/02/14/676710214.db2.gz	SLQRBGMGIGBJTI-DZGCQCFKSA-N	1	0	364.471	1.584	20	30		FDEDRO
COC[C@@H](NC(=O)N1CC[NH+](CC(C)(C)O)CC1)c1ccc(F)cc1	ZINC000330958422	676711029	/nfs/dbraw/zinc/71/10/29/676711029.db2.gz	DCSNYODVJNRILE-MRXNPFEDSA-N	1	0	353.438	1.816	20	30		FDEDRO
COCCC(=O)N1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)CC1	ZINC000331120296	676717610	/nfs/dbraw/zinc/71/76/10/676717610.db2.gz	AUASMRDYQLGAAT-GDBMZVCRSA-N	1	0	354.495	1.200	20	30		FDEDRO
C[C@@H](CNC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cn1)[NH+](C)C	ZINC000331124881	676717774	/nfs/dbraw/zinc/71/77/74/676717774.db2.gz	OIDUGSTYGSNJBT-ZDUSSCGKSA-N	1	0	369.491	1.532	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C[C@@H]2[C@H](C)O)CC1	ZINC000331278272	676725485	/nfs/dbraw/zinc/72/54/85/676725485.db2.gz	GUOCYXYNIPIXBD-XMTFNYHQSA-N	1	0	350.507	1.160	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CNC(=O)NC1CCN(S(=O)(=O)C(C)C)CC1	ZINC000331307978	676726730	/nfs/dbraw/zinc/72/67/30/676726730.db2.gz	WRGMDCWCCFVUDH-HNNXBMFYSA-N	1	0	360.524	1.177	20	30		FDEDRO
CN([C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1)S(=O)(=O)CCC#N	ZINC000331323004	676727331	/nfs/dbraw/zinc/72/73/31/676727331.db2.gz	LMXFHTRHFZLOQG-DLBZAZTESA-N	1	0	356.536	1.499	20	30		FDEDRO
C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)CC1(C#N)CCCCC1	ZINC000332605354	676743339	/nfs/dbraw/zinc/74/33/39/676743339.db2.gz	IXMAXWJAEHIFJZ-MRXNPFEDSA-N	1	0	356.536	1.406	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1	ZINC000363066161	676932881	/nfs/dbraw/zinc/93/28/81/676932881.db2.gz	LJEGUBUCIWEXHU-KRWDZBQOSA-N	1	0	362.499	1.267	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)CN(C)C1CC[NH+](C2CCOCC2)CC1	ZINC000363452644	676955318	/nfs/dbraw/zinc/95/53/18/676955318.db2.gz	KEUHFBHFXWLYQI-INIZCTEOSA-N	1	0	350.507	1.570	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1C#N	ZINC000366639324	677456414	/nfs/dbraw/zinc/45/64/14/677456414.db2.gz	MIKDITMKFQZHBR-BHYGNILZSA-N	1	0	363.483	1.739	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC([N@H+]2C[C@H](C)C[C@H](C)C2)CC1	ZINC000366970230	677477027	/nfs/dbraw/zinc/47/70/27/677477027.db2.gz	QUICLXWZGUCLQE-XHSDSOJGSA-N	1	0	356.536	1.907	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000367228956	677490789	/nfs/dbraw/zinc/49/07/89/677490789.db2.gz	DANGTFJLEMRFMO-MRXNPFEDSA-N	1	0	364.515	1.967	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(S(N)(=O)=O)CC1)C(C)C	ZINC000368189561	677498761	/nfs/dbraw/zinc/49/87/61/677498761.db2.gz	IBSYLMOYDFLXEO-MRXNPFEDSA-N	1	0	372.535	1.148	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000371624835	677745012	/nfs/dbraw/zinc/74/50/12/677745012.db2.gz	PBOMDZPEWMMTDI-WMZOPIPTSA-N	1	0	352.500	1.466	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)NCCC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000371982459	677820800	/nfs/dbraw/zinc/82/08/00/677820800.db2.gz	APDKOFFJIYJHMD-QGZVFWFLSA-N	1	0	352.523	1.419	20	30		FDEDRO
CN1C[C@@H]2C[N@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CCN2C1=O	ZINC000373236030	678049462	/nfs/dbraw/zinc/04/94/62/678049462.db2.gz	GDJPNGOGXSIYIP-CQSZACIVSA-N	1	0	361.833	1.592	20	30		FDEDRO
CN1C(=O)CSC12CC[NH+](CCC(=O)Nc1sccc1C#N)CC2	ZINC000373256418	678053429	/nfs/dbraw/zinc/05/34/29/678053429.db2.gz	PZTPEKWKNOAWNO-UHFFFAOYSA-N	1	0	364.496	1.946	20	30		FDEDRO
C#CCC1(C(=O)N2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)CCCCC1	ZINC000373763710	678066656	/nfs/dbraw/zinc/06/66/56/678066656.db2.gz	UVFVUHGADOKZEH-KRWDZBQOSA-N	1	0	366.527	1.728	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(Cc2cnc(C)s2)C[C@@H]1C	ZINC000375514187	678151776	/nfs/dbraw/zinc/15/17/76/678151776.db2.gz	NFFYJPWBFPKGNQ-SWLSCSKDSA-N	1	0	365.503	1.263	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000375826411	678182129	/nfs/dbraw/zinc/18/21/29/678182129.db2.gz	WHSKARZLAZCBTE-KRWDZBQOSA-N	1	0	365.499	1.409	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1	ZINC000376350259	678283258	/nfs/dbraw/zinc/28/32/58/678283258.db2.gz	LCNUCMLNMJQNNH-DLBZAZTESA-N	1	0	371.547	1.883	20	30		FDEDRO
C#CCCCS(=O)(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000376362883	678287479	/nfs/dbraw/zinc/28/74/79/678287479.db2.gz	DUXFFUCILAQDNZ-SFHVURJKSA-N	1	0	350.484	1.298	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2nc3c(s2)CSCC3)CC1	ZINC000376708433	678363920	/nfs/dbraw/zinc/36/39/20/678363920.db2.gz	BSZMVKDNKODZGB-UHFFFAOYSA-N	1	0	366.512	1.638	20	30		FDEDRO
N#Cc1cc(F)ccc1CN1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1	ZINC000376798468	678381919	/nfs/dbraw/zinc/38/19/19/678381919.db2.gz	HQXWDQNDSLINBC-QGZVFWFLSA-N	1	0	351.447	1.438	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C(=O)[C@@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)C1=O	ZINC000410098212	678878165	/nfs/dbraw/zinc/87/81/65/678878165.db2.gz	IYIFEQQRSZXJGL-VVLHAWIVSA-N	1	0	351.491	1.366	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1	ZINC000410096949	678878256	/nfs/dbraw/zinc/87/82/56/678878256.db2.gz	FYDIFHBYRLWQEA-OAHLLOKOSA-N	1	0	354.476	1.795	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000410150992	678886204	/nfs/dbraw/zinc/88/62/04/678886204.db2.gz	DZNFAFRHYLWKEE-WMZOPIPTSA-N	1	0	364.515	1.967	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1	ZINC000410440654	678899258	/nfs/dbraw/zinc/89/92/58/678899258.db2.gz	XIRLFYJROBUZRR-UHFFFAOYSA-N	1	0	351.491	1.372	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl	ZINC000424102621	680829740	/nfs/dbraw/zinc/82/97/40/680829740.db2.gz	BLFUCVVSFDJXFH-JQWIXIFHSA-N	1	0	360.241	1.870	20	30		FDEDRO
COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)[C@H]([NH3+])CCCC#N	ZINC000424061664	680827574	/nfs/dbraw/zinc/82/75/74/680827574.db2.gz	FUFVQJUYDSUIET-CYBMUJFWSA-N	1	0	366.443	1.096	20	30		FDEDRO
CN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H](C(N)=O)c1cccc(Br)c1	ZINC000424168697	680831177	/nfs/dbraw/zinc/83/11/77/680831177.db2.gz	IRZLILDYWVVBTE-STQMWFEESA-N	1	0	367.247	1.455	20	30		FDEDRO
CN(C(=O)[C@H]([NH3+])CCCC#N)[C@H](C(N)=O)c1cccc(Br)c1	ZINC000424168694	680831192	/nfs/dbraw/zinc/83/11/92/680831192.db2.gz	IRZLILDYWVVBTE-OLZOCXBDSA-N	1	0	367.247	1.455	20	30		FDEDRO
C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1	ZINC000415301287	679405177	/nfs/dbraw/zinc/40/51/77/679405177.db2.gz	QCXJKGYJVGEZMO-NSHDSACASA-N	1	0	351.204	1.080	20	30		FDEDRO
N#CCCSc1ccccc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000415475051	679436789	/nfs/dbraw/zinc/43/67/89/679436789.db2.gz	NRCBAXDSTJMTSC-KGLIPLIRSA-N	1	0	358.467	1.984	20	30		FDEDRO
C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000415540452	679447689	/nfs/dbraw/zinc/44/76/89/679447689.db2.gz	LUXWBWDGJUIZQJ-VHSXEESVSA-N	1	0	365.231	1.455	20	30		FDEDRO
C[C@@H](CC[NH3+])NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000415550238	679449642	/nfs/dbraw/zinc/44/96/42/679449642.db2.gz	IVXVEGQGKSQWOF-VIFPVBQESA-N	1	0	358.320	1.291	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)[C@@H](C)C[NH2+]1	ZINC000415574845	679456085	/nfs/dbraw/zinc/45/60/85/679456085.db2.gz	WUHCVWIWGXBOQV-ZJUUUORDSA-N	1	0	365.231	1.468	20	30		FDEDRO
C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000415586596	679459108	/nfs/dbraw/zinc/45/91/08/679459108.db2.gz	YGDYEUZTDRRBNL-KOLCDFICSA-N	1	0	354.332	1.711	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1	ZINC000415594917	679460889	/nfs/dbraw/zinc/46/08/89/679460889.db2.gz	HARVVEOHTWEEIZ-BZPMIXESSA-N	1	0	350.444	1.764	20	30		FDEDRO
N#CCCSc1ccccc1NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1	ZINC000415606360	679463882	/nfs/dbraw/zinc/46/38/82/679463882.db2.gz	RODOGORRJSISHM-SFHVURJKSA-N	1	0	358.467	1.843	20	30		FDEDRO
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1	ZINC000415669731	679475980	/nfs/dbraw/zinc/47/59/80/679475980.db2.gz	GIXVGDCZRYLPMK-MCIONIFRSA-N	1	0	358.467	1.697	20	30		FDEDRO
COC[C@@]1(CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)CCC[NH2+]1	ZINC000415705218	679482683	/nfs/dbraw/zinc/48/26/83/679482683.db2.gz	IVFXPJBDARSTHJ-INIZCTEOSA-N	1	0	350.806	1.035	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)F)cc1C#N	ZINC000415784365	679500469	/nfs/dbraw/zinc/50/04/69/679500469.db2.gz	JGYFYMBUTXMDPM-LBPRGKRZSA-N	1	0	354.357	1.383	20	30		FDEDRO
CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)s1	ZINC000415867560	679530378	/nfs/dbraw/zinc/53/03/78/679530378.db2.gz	WYJRUGUMZDXLRE-GFCCVEGCSA-N	1	0	364.471	1.432	20	30		FDEDRO
CC(C)(C)c1csc(NC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)c1C#N	ZINC000415867547	679530430	/nfs/dbraw/zinc/53/04/30/679530430.db2.gz	WWICHQFSGVGYAH-NSHDSACASA-N	1	0	364.471	1.432	20	30		FDEDRO
[NH3+]CC[C@H](NC(=O)N1CCN(CC(F)(F)C(F)F)CC1)C(F)(F)F	ZINC000415992099	679540610	/nfs/dbraw/zinc/54/06/10/679540610.db2.gz	AQPZQWFMXUVFEA-QMMMGPOBSA-N	1	0	368.297	1.494	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)N[C@H](CC[NH3+])C(F)(F)F	ZINC000416025845	679545707	/nfs/dbraw/zinc/54/57/07/679545707.db2.gz	HNBVIMIOPXUFJC-CYBMUJFWSA-N	1	0	360.336	1.985	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cc(Br)ccc2C#N)C1	ZINC000416495331	679639749	/nfs/dbraw/zinc/63/97/49/679639749.db2.gz	LKUSDDJWQCFDDW-JTQLQIEISA-N	1	0	358.261	1.551	20	30		FDEDRO
C=CCC(C)(C)CNC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1	ZINC000418207902	680024840	/nfs/dbraw/zinc/02/48/40/680024840.db2.gz	CJTDQNWCHFSZRB-HZPDHXFCSA-N	1	0	350.507	1.879	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@H](C)CCCC[NH3+])CC2)c1C#N	ZINC000418690134	680108356	/nfs/dbraw/zinc/10/83/56/680108356.db2.gz	GUGISVUKOCWXPR-GFCCVEGCSA-N	1	0	350.492	1.672	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1	ZINC000419159394	680204001	/nfs/dbraw/zinc/20/40/01/680204001.db2.gz	XMABWWPZPNFIIX-UAGQMJEPSA-N	1	0	351.491	1.592	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC2CCC([NH3+])CC2)cc1Br	ZINC000420410482	680441528	/nfs/dbraw/zinc/44/15/28/680441528.db2.gz	AMOBINLZINBROI-UHFFFAOYSA-N	1	0	358.261	1.869	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C[NH3+])cc1Br	ZINC000420419557	680443473	/nfs/dbraw/zinc/44/34/73/680443473.db2.gz	MUVQMABJJROHQS-NSHDSACASA-N	1	0	358.261	1.823	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCC[C@H]2CCC[NH2+]2)cc1Br	ZINC000420434852	680449014	/nfs/dbraw/zinc/44/90/14/680449014.db2.gz	LAJILPZDIBUJFP-LLVKDONJSA-N	1	0	358.261	1.741	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1	ZINC000425878825	680938616	/nfs/dbraw/zinc/93/86/16/680938616.db2.gz	ZEAJLEQRBDRWAN-ULQDDVLXSA-N	1	0	351.491	1.322	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2cccnc2C#N)CC1	ZINC000428266126	680998201	/nfs/dbraw/zinc/99/82/01/680998201.db2.gz	QURUQOFGXTUZML-UHFFFAOYSA-N	1	0	352.460	1.121	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH2+][C@@H](CO)c1ccc(Br)c(F)c1	ZINC000429001760	681020025	/nfs/dbraw/zinc/02/00/25/681020025.db2.gz	GZLUOQLPZXYEGZ-AWEZNQCLSA-N	1	0	372.238	1.973	20	30		FDEDRO
Cc1oc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)c(C#N)c1C	ZINC000429706849	681045074	/nfs/dbraw/zinc/04/50/74/681045074.db2.gz	FNGJFOKFCWUDEC-ZIAGYGMSSA-N	1	0	368.459	1.157	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1	ZINC000430398532	681075425	/nfs/dbraw/zinc/07/54/25/681075425.db2.gz	DCIOBYUPPADYLY-VQHPVUNQSA-N	1	0	351.491	1.415	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC2(CC[NH2+]C2)CC1	ZINC000431025123	681104581	/nfs/dbraw/zinc/10/45/81/681104581.db2.gz	QZPUSYVASICEIM-UHFFFAOYSA-N	1	0	350.400	1.231	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)CC2(C#N)CCC2)CC1	ZINC000474594645	685428363	/nfs/dbraw/zinc/42/83/63/685428363.db2.gz	OLGXNDDWIITLTD-MRXNPFEDSA-N	1	0	354.520	1.112	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]1CS(=O)(=O)NC	ZINC000440388782	681994665	/nfs/dbraw/zinc/99/46/65/681994665.db2.gz	WFZLYKIYERTCJQ-SJORKVTESA-N	1	0	368.499	1.168	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCNC[C@@H]2CCC)c1	ZINC000440833753	682028886	/nfs/dbraw/zinc/02/88/86/682028886.db2.gz	PFNXOSATSZSLTO-HNNXBMFYSA-N	1	0	351.472	1.365	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@@H]1CS(N)(=O)=O)C(C)C	ZINC000443542699	682320168	/nfs/dbraw/zinc/32/01/68/682320168.db2.gz	NTZMWBOTURWCJF-CVEARBPZSA-N	1	0	372.535	1.148	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)c(C)c2)C1	ZINC000443911750	682361573	/nfs/dbraw/zinc/36/15/73/682361573.db2.gz	YHWCMZWIRQGXII-QGZVFWFLSA-N	1	0	365.499	1.988	20	30		FDEDRO
Cc1cc(S(=O)(=O)NCCN2CCC([NH+](C)C)CC2)ccc1C#N	ZINC000443909321	682361833	/nfs/dbraw/zinc/36/18/33/682361833.db2.gz	QYVHLOXTMORBOZ-UHFFFAOYSA-N	1	0	350.488	1.171	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)c1	ZINC000445697692	682460721	/nfs/dbraw/zinc/46/07/21/682460721.db2.gz	SFYWGYVPJNVSKZ-UHFFFAOYSA-N	1	0	365.499	1.707	20	30		FDEDRO
COCCN(CC[NH+](C)C)C(=O)c1cccc(C#N)c1Br	ZINC000448910416	682647267	/nfs/dbraw/zinc/64/72/67/682647267.db2.gz	LNABLBRHCFURNA-UHFFFAOYSA-N	1	0	354.248	1.971	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1	ZINC000449636599	682692629	/nfs/dbraw/zinc/69/26/29/682692629.db2.gz	DRITZGAHKHBHFM-HIFRSBDPSA-N	1	0	351.472	1.398	20	30		FDEDRO
C[C@H](CO)[C@H](C)[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000450741617	682777608	/nfs/dbraw/zinc/77/76/08/682777608.db2.gz	ZXWRQDGSGQJIOM-ILXRZTDVSA-N	1	0	350.488	1.063	20	30		FDEDRO
CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000451776239	682935993	/nfs/dbraw/zinc/93/59/93/682935993.db2.gz	UIHBSHQYFBFNAU-CVEARBPZSA-N	1	0	350.440	1.653	20	30		FDEDRO
COC[C@]1(CO)CC[N@@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000451937582	682975117	/nfs/dbraw/zinc/97/51/17/682975117.db2.gz	URMORGQGNLOQCL-DPCKTDSQSA-N	1	0	351.491	1.637	20	30		FDEDRO
COC[C@@H]1CCC[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1	ZINC000452107301	683030029	/nfs/dbraw/zinc/03/00/29/683030029.db2.gz	SEJKXKWNOCYQQI-QZTJIDSGSA-N	1	0	350.507	1.427	20	30		FDEDRO
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@@H]1CCC[N@@H+]1CCCO	ZINC000452356781	683057391	/nfs/dbraw/zinc/05/73/91/683057391.db2.gz	DKUVLVVNZQRGBH-KBXCAEBGSA-N	1	0	353.463	1.211	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Cc2ccc(S(=O)(=O)N(C)C)cc2)CC1	ZINC000475649094	685622156	/nfs/dbraw/zinc/62/21/56/685622156.db2.gz	IXQXBBQDXGAMHV-UHFFFAOYSA-N	1	0	365.499	1.246	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1)[NH+]1CCCC1	ZINC000453614490	683169810	/nfs/dbraw/zinc/16/98/10/683169810.db2.gz	FBSPPGFMLFDMMQ-OAHLLOKOSA-N	1	0	363.849	1.782	20	30		FDEDRO
CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2cnc(C#N)c(Cl)c2)C1	ZINC000453650434	683176377	/nfs/dbraw/zinc/17/63/77/683176377.db2.gz	AXSCDLNIHJFNJV-LBPRGKRZSA-N	1	0	363.849	1.735	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1	ZINC000455115255	683397975	/nfs/dbraw/zinc/39/79/75/683397975.db2.gz	WSHGOJDSMUEWJV-ZDUSSCGKSA-N	1	0	358.833	2.471	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1	ZINC000455409618	683447123	/nfs/dbraw/zinc/44/71/23/683447123.db2.gz	NRJZAUUWYOAXBX-MSOLQXFVSA-N	1	0	351.491	1.864	20	30		FDEDRO
Cc1nsc(NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)c1C#N	ZINC000459568406	684426793	/nfs/dbraw/zinc/42/67/93/684426793.db2.gz	WUFWQBIBNHYYCJ-UHFFFAOYSA-N	1	0	350.492	1.861	20	30		FDEDRO
COCC[C@@H](C)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000463692218	684702895	/nfs/dbraw/zinc/70/28/95/684702895.db2.gz	WHWSCXMMWQXUFE-OAHLLOKOSA-N	1	0	353.488	1.677	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1	ZINC000464198093	684727893	/nfs/dbraw/zinc/72/78/93/684727893.db2.gz	JNDDDNOLGZPNKL-ZDUSSCGKSA-N	1	0	351.472	1.918	20	30		FDEDRO
CC[C@H]([NH2+][C@H](C)C(=O)NC1(C#N)CCC1)c1cccc(S(N)(=O)=O)c1	ZINC000469781728	684986231	/nfs/dbraw/zinc/98/62/31/684986231.db2.gz	WKNGGEIHQLSXRL-DOMZBBRYSA-N	1	0	364.471	1.326	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C[C@@H]1C	ZINC000472323693	685197412	/nfs/dbraw/zinc/19/74/12/685197412.db2.gz	FLYYOANADRBGHM-STQMWFEESA-N	1	0	366.443	1.960	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1	ZINC000478759449	685920604	/nfs/dbraw/zinc/92/06/04/685920604.db2.gz	HWEFJZUPZIHAPB-KRWDZBQOSA-N	1	0	350.488	1.577	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@]1([NH+](C)C)CCSC1	ZINC000480275287	686150666	/nfs/dbraw/zinc/15/06/66/686150666.db2.gz	PPLAPZBJRKKVMC-GOSISDBHSA-N	1	0	363.531	1.900	20	30		FDEDRO
C[NH+](C)CCCCNS(=O)(=O)c1cccc(NC(=O)CCCC#N)c1	ZINC000488337511	687038973	/nfs/dbraw/zinc/03/89/73/687038973.db2.gz	JTQLRWLHQOIWPS-UHFFFAOYSA-N	1	0	366.487	1.939	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)C1	ZINC000489518107	687103131	/nfs/dbraw/zinc/10/31/31/687103131.db2.gz	RMGJYEKXHNFQEF-HNNXBMFYSA-N	1	0	369.462	1.819	20	30		FDEDRO
C=C[C@H](C)[NH2+]C1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1	ZINC000493008767	687176161	/nfs/dbraw/zinc/17/61/61/687176161.db2.gz	LEAYTLBXFCCYQW-ZDUSSCGKSA-N	1	0	351.472	1.962	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)CCC[N@H+](C)Cc1ccco1	ZINC000510683645	689409451	/nfs/dbraw/zinc/40/94/51/689409451.db2.gz	QUWYEBQQMBGFEZ-HNNXBMFYSA-N	1	0	356.492	1.760	20	30		FDEDRO
CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1	ZINC000511057551	689455620	/nfs/dbraw/zinc/45/56/20/689455620.db2.gz	AQVFEICBBVQTBB-MRXNPFEDSA-N	1	0	364.471	1.243	20	30		FDEDRO
N#Cc1cccc(CNC(=O)CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1	ZINC000511664260	689550180	/nfs/dbraw/zinc/55/01/80/689550180.db2.gz	OCTIACMKATXLSE-HUUCEWRRSA-N	1	0	355.360	1.667	20	30		FDEDRO
C[NH+](C)CCOc1cnccc1CNS(=O)(=O)c1ccc(C#N)s1	ZINC000514967297	689794886	/nfs/dbraw/zinc/79/48/86/689794886.db2.gz	ZTXDELDXWCCBSN-UHFFFAOYSA-N	1	0	366.468	1.434	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1C#N	ZINC000515312414	689840125	/nfs/dbraw/zinc/84/01/25/689840125.db2.gz	KFKOMMHVTKPAIV-DOTOQJQBSA-N	1	0	364.471	1.169	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H](CO)CC2CCCC2)nc1	ZINC000517567549	690075860	/nfs/dbraw/zinc/07/58/60/690075860.db2.gz	LELHXPIGLLEQGT-INIZCTEOSA-N	1	0	351.472	1.505	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2CC[NH3+])c1	ZINC000519770762	690263991	/nfs/dbraw/zinc/26/39/91/690263991.db2.gz	LUWPTEHCOXYJOZ-HNNXBMFYSA-N	1	0	351.472	1.494	20	30		FDEDRO
C[C@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)[C@@H]1CCC[NH2+]C1	ZINC000521624883	694416595	/nfs/dbraw/zinc/41/65/95/694416595.db2.gz	KPRWMDZARPBBMQ-CMPLNLGQSA-N	1	0	372.288	1.987	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000525885867	694638301	/nfs/dbraw/zinc/63/83/01/694638301.db2.gz	XAICCNNZNPBIQV-CYBMUJFWSA-N	1	0	364.471	1.150	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1	ZINC000527902788	694693309	/nfs/dbraw/zinc/69/33/09/694693309.db2.gz	SNFYRRFYJLFSNZ-IAGOWNOFSA-N	1	0	351.491	1.864	20	30		FDEDRO
N#Cc1cc(NC(=O)NC[C@@H]2COCC[NH2+]2)ccc1OCC(F)(F)F	ZINC000528670817	694741749	/nfs/dbraw/zinc/74/17/49/694741749.db2.gz	SFNHEUQIQAQMDY-GFCCVEGCSA-N	1	0	358.320	1.609	20	30		FDEDRO
C=CCN(C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)[C@@H]1CCS(=O)(=O)C1	ZINC000528719129	694744700	/nfs/dbraw/zinc/74/47/00/694744700.db2.gz	JJXIVNRGJGGTGZ-OAHLLOKOSA-N	1	0	365.455	1.376	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@H+](CCN1CCOCC1)[C@H]1CCSC1	ZINC000639770981	695496172	/nfs/dbraw/zinc/49/61/72/695496172.db2.gz	CSFIPAVHRKLCKR-KRWDZBQOSA-N	1	0	353.532	1.327	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1NC[C@@H](C)N1CC[NH+](CC)CC1	ZINC000641291836	696033904	/nfs/dbraw/zinc/03/39/04/696033904.db2.gz	FEEZDFKESKWNLO-MRXNPFEDSA-N	1	0	366.531	1.589	20	30		FDEDRO
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccnc(Cl)c1C#N	ZINC001164618182	719012906	/nfs/dbraw/zinc/01/29/06/719012906.db2.gz	QOIBDDSZKYZZCF-XDTLVQLUSA-N	1	0	370.787	1.881	20	30		FDEDRO
C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc3c(cc2C#N)COCC3)C1	ZINC001164734846	720530694	/nfs/dbraw/zinc/53/06/94/720530694.db2.gz	RZFFFESVFAIORF-CQSZACIVSA-N	1	0	352.442	1.420	20	30		FDEDRO
N#Cc1c(Cl)ncnc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1	ZINC001164733085	720555532	/nfs/dbraw/zinc/55/55/32/720555532.db2.gz	JIHDXDIITWQDCM-UHFFFAOYSA-N	1	0	357.849	1.857	20	30		FDEDRO
COc1cc(C#N)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1	ZINC001164739627	720705180	/nfs/dbraw/zinc/70/51/80/720705180.db2.gz	OIUOQOICKZSKHY-GDBMZVCRSA-N	1	0	352.398	1.094	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3nccc(Cl)c3C#N)CC[C@H]2C1	ZINC001164857145	720843830	/nfs/dbraw/zinc/84/38/30/720843830.db2.gz	XTNXBACYALZLLU-XJKSGUPXSA-N	1	0	350.850	1.780	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3cc(Cl)cc(C#N)n3)CC[C@H]2C1	ZINC001164851873	720849358	/nfs/dbraw/zinc/84/93/58/720849358.db2.gz	IJCRTXBUXPVOJL-XJKSGUPXSA-N	1	0	350.850	1.780	20	30		FDEDRO
CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(CC#N)ccn4)C3)O2)CC1	ZINC001164895814	721424410	/nfs/dbraw/zinc/42/44/10/721424410.db2.gz	PXPWZXWSVCPHLA-PZJWPPBQSA-N	1	0	369.513	1.913	20	30		FDEDRO
Cc1nc(C#N)cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1	ZINC001164891344	721450558	/nfs/dbraw/zinc/45/05/58/721450558.db2.gz	UMEQETGBSRYCPW-ICSRJNTNSA-N	1	0	370.501	1.422	20	30		FDEDRO
CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncnc(Cl)c2C#N)CC1	ZINC001165009114	721732793	/nfs/dbraw/zinc/73/27/93/721732793.db2.gz	UNLCWWNTMQEKAC-UHFFFAOYSA-N	1	0	362.865	1.525	20	30		FDEDRO
Cc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(C#N)n1	ZINC001164983840	722136757	/nfs/dbraw/zinc/13/67/57/722136757.db2.gz	VOGGJKFVEDAIOK-IEBWSBKVSA-N	1	0	364.453	1.779	20	30		FDEDRO
COc1cc(C#N)nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c1	ZINC001165002863	722254122	/nfs/dbraw/zinc/25/41/22/722254122.db2.gz	VEPFSGXYSXZGNY-UHFFFAOYSA-N	1	0	370.457	1.647	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)C[N@H+]4CCC[C@H]4C)[C@@H]3C2)cn1	ZINC001022717888	782573765	/nfs/dbraw/zinc/57/37/65/782573765.db2.gz	NWGXHMDNPJXUIL-HHXXYDBFSA-N	1	0	366.465	1.220	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCF)C2	ZINC001112511918	782651910	/nfs/dbraw/zinc/65/19/10/782651910.db2.gz	IGPDJANPDKEPIT-LPHOPBHVSA-N	1	0	366.481	1.717	20	30		FDEDRO
C=CCCn1cc(CNc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)nn1	ZINC000657407792	782674367	/nfs/dbraw/zinc/67/43/67/782674367.db2.gz	ZFYIYDQTWYKJKW-GOSISDBHSA-N	1	0	354.458	1.916	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2conc2C)C1=O	ZINC001087208191	782675996	/nfs/dbraw/zinc/67/59/96/782675996.db2.gz	RLXSPJSRPYOLRT-KMFMINBZSA-N	1	0	360.458	1.600	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@@H](O)C2)CC1	ZINC000969220793	769461156	/nfs/dbraw/zinc/46/11/56/769461156.db2.gz	BLLNSPWDIPJNMU-MSOLQXFVSA-N	1	0	368.437	1.382	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)CCc1cn(C)nn1	ZINC001211492826	769747065	/nfs/dbraw/zinc/74/70/65/769747065.db2.gz	MIYAOXFWHALTFI-RDTXWAMCSA-N	1	0	352.442	1.256	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(-c3cnn(C)c3)no2)C1	ZINC001022737317	782800943	/nfs/dbraw/zinc/80/09/43/782800943.db2.gz	UEATZDXZFPIKEJ-KKBFJZEXSA-N	1	0	371.441	1.403	20	30		FDEDRO
CCOCCC[NH+]=C(NCC(=O)N(C)CC)NCc1ccc(OC)cc1	ZINC000274775554	770104985	/nfs/dbraw/zinc/10/49/85/770104985.db2.gz	MTYBNQRTOVBGDS-UHFFFAOYSA-N	1	0	364.490	1.635	20	30		FDEDRO
Cn1nccc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC000969425943	770164967	/nfs/dbraw/zinc/16/49/67/770164967.db2.gz	NVHMEWCVTSJNGY-BRWVUGGUSA-N	1	0	367.428	1.925	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4ncn(C)c4n3)[C@H]2C1	ZINC001083191713	770778033	/nfs/dbraw/zinc/77/80/33/770778033.db2.gz	NLPQIKKWIPGYPG-DLBZAZTESA-N	1	0	355.442	1.460	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(NC(C)=O)c2)C1	ZINC001020604981	770983091	/nfs/dbraw/zinc/98/30/91/770983091.db2.gz	XGJUICYKVOSMOE-MKXGPGLRSA-N	1	0	357.454	1.973	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccccc3)C2=O)C1	ZINC001020605358	770984523	/nfs/dbraw/zinc/98/45/23/770984523.db2.gz	DNIJHDSULFEYNJ-YRGVVPAESA-N	1	0	369.465	1.620	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1CCOC	ZINC000890661859	771001460	/nfs/dbraw/zinc/00/14/60/771001460.db2.gz	MOYBYLWDIFFOIA-INIZCTEOSA-N	1	0	369.506	1.979	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2CCO[C@@H]3CN(Cc4ccccc4C#N)C[C@@H]32)C1	ZINC001083193010	771025970	/nfs/dbraw/zinc/02/59/70/771025970.db2.gz	XXFNLVNXYCPCDZ-FFZOFVMBSA-N	1	0	368.481	1.312	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)CC1	ZINC000246093387	771077487	/nfs/dbraw/zinc/07/74/87/771077487.db2.gz	NYQKXWDZDGANIR-HBFSDRIKSA-N	1	0	362.518	1.306	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)cc1	ZINC000471226205	771109988	/nfs/dbraw/zinc/10/99/88/771109988.db2.gz	JOHUYDXRWJCSDW-UHFFFAOYSA-N	1	0	371.441	1.239	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(=O)c(OC)co2)C1	ZINC001020726396	771303929	/nfs/dbraw/zinc/30/39/29/771303929.db2.gz	JBJKZPVYRUVODW-ATZCPQFDSA-N	1	0	362.426	1.366	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nc(=O)n(C)[nH]2)C1	ZINC001104231870	771432478	/nfs/dbraw/zinc/43/24/78/771432478.db2.gz	WHSZASVEXUYVOO-GDBMZVCRSA-N	1	0	361.490	1.451	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2csc(C)c2C)C[C@H]1C	ZINC001104234815	771451125	/nfs/dbraw/zinc/45/11/25/771451125.db2.gz	PHGCMRWVTUPTGM-CZUORRHYSA-N	1	0	361.511	1.802	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C	ZINC000430393938	771763127	/nfs/dbraw/zinc/76/31/27/771763127.db2.gz	MZBNBZOZTBPVFB-BDXSIMOUSA-N	1	0	363.502	1.558	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CCc2cc(OC)no2)C[C@H]1C	ZINC001104245749	771778603	/nfs/dbraw/zinc/77/86/03/771778603.db2.gz	YXYDCLLCYAUZGI-HZPDHXFCSA-N	1	0	365.474	1.893	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2c(C)cccc2C)C[C@H]1C	ZINC001104246733	771805115	/nfs/dbraw/zinc/80/51/15/771805115.db2.gz	CNAHOFLPYNAIIG-RTBURBONSA-N	1	0	369.509	1.670	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](O)COCCOC)C1	ZINC001104246818	771805479	/nfs/dbraw/zinc/80/54/79/771805479.db2.gz	HTEAIYJOKMQTLH-KZNAEPCWSA-N	1	0	356.507	1.441	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)NC(CC)CC)CC1	ZINC001167277125	771855739	/nfs/dbraw/zinc/85/57/39/771855739.db2.gz	BZWMPBJZMSIHAK-SJORKVTESA-N	1	0	365.518	1.758	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCC(=O)NC2=O)C1	ZINC001112512611	782984766	/nfs/dbraw/zinc/98/47/66/782984766.db2.gz	LQVDRFFNFOHFGG-FTRWYGJKSA-N	1	0	359.470	1.204	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4ccnn4)cc3)[C@H]2C1	ZINC001083245829	783014294	/nfs/dbraw/zinc/01/42/94/783014294.db2.gz	KYNDKNZHJHDFHT-RBUKOAKNSA-N	1	0	367.453	1.759	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)NS(=O)(=O)CC)C1	ZINC001111755327	772553365	/nfs/dbraw/zinc/55/33/65/772553365.db2.gz	SATHJOIAVBYJQG-ZOBUZTSGSA-N	1	0	357.520	1.251	20	30		FDEDRO
CNC(=O)NCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC#Cc2ccccc2)C1	ZINC001104263941	772568567	/nfs/dbraw/zinc/56/85/67/772568567.db2.gz	AXPKMYUINFWDKV-SJLPKXTDSA-N	1	0	356.470	1.041	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1C#N	ZINC000890986913	772651933	/nfs/dbraw/zinc/65/19/33/772651933.db2.gz	NIDUCAMURMZKNS-HNNXBMFYSA-N	1	0	363.421	1.938	20	30		FDEDRO
Cc1cnc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)cc1C	ZINC001112484575	772681228	/nfs/dbraw/zinc/68/12/28/772681228.db2.gz	XNECPNQDVIVLON-JXFKEZNVSA-N	1	0	369.469	1.170	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC3CC3)C2)CCC1	ZINC001104279823	772756471	/nfs/dbraw/zinc/75/64/71/772756471.db2.gz	RCCVMFHNEXZPRR-IXDOHACOSA-N	1	0	359.514	1.921	20	30		FDEDRO
CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)N(C)C[C@H](C)C#N)cc1	ZINC000275636548	772891005	/nfs/dbraw/zinc/89/10/05/772891005.db2.gz	DBYLNHKJMRUVMJ-OAHLLOKOSA-N	1	0	360.458	1.964	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1cn(CC)nn1)C2	ZINC001112486174	772938417	/nfs/dbraw/zinc/93/84/17/772938417.db2.gz	CNSZHOIOKIUADO-LPHOPBHVSA-N	1	0	361.490	1.261	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@]1(C)C[C@H]3C[C@H]3C1)C2	ZINC001112487274	773108530	/nfs/dbraw/zinc/10/85/30/773108530.db2.gz	AGIKHZHJIJLMJP-ZCZMFWIKSA-N	1	0	359.514	1.943	20	30		FDEDRO
C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1	ZINC000275690508	773205550	/nfs/dbraw/zinc/20/55/50/773205550.db2.gz	MMNJVCFGHFRLFC-HNNXBMFYSA-N	1	0	374.510	1.834	20	30		FDEDRO
COC[C@H](C)NC(=S)NN=C(C)c1ccc(OCC[NH+](C)C)cc1	ZINC000748131600	773278184	/nfs/dbraw/zinc/27/81/84/773278184.db2.gz	LBPKLCTWALKCAN-ZDUSSCGKSA-N	1	0	352.504	1.850	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](C(=O)NCC#C[C@@H]2CCCCO2)[C@H](c2cnn(C)c2)C1	ZINC000891113090	773291625	/nfs/dbraw/zinc/29/16/25/773291625.db2.gz	SVRBPOLZXKBPIL-UFYCRDLUSA-N	1	0	372.513	1.923	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)C1	ZINC001021429970	773316431	/nfs/dbraw/zinc/31/64/31/773316431.db2.gz	YNLPSJUVHZRIAH-WMLDXEAASA-N	1	0	369.469	1.291	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCN2C(=O)CNC2=O)C1	ZINC001211550130	783098704	/nfs/dbraw/zinc/09/87/04/783098704.db2.gz	RJIFRKRWMRQQRP-DLBZAZTESA-N	1	0	370.453	1.089	20	30		FDEDRO
C#CC1(F)CN(C(=O)C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)C1	ZINC000891168998	773523262	/nfs/dbraw/zinc/52/32/62/773523262.db2.gz	LESVJXLGBRDRDD-UHFFFAOYSA-N	1	0	372.444	1.339	20	30		FDEDRO
O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)N1CC[C@@](F)(CO)C1	ZINC000328694953	773549320	/nfs/dbraw/zinc/54/93/20/773549320.db2.gz	KGWLUWBADYDRHY-IBGZPJMESA-N	1	0	365.449	1.464	20	30		FDEDRO
C[NH+](C)Cc1cccc(C(=O)N2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)c1	ZINC001021593354	774140858	/nfs/dbraw/zinc/14/08/58/774140858.db2.gz	YPCMCDCBFRVMSM-VQTJNVASSA-N	1	0	365.477	1.835	20	30		FDEDRO
C=CCc1cc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)cc(OC)c1OC	ZINC000683910536	774218021	/nfs/dbraw/zinc/21/80/21/774218021.db2.gz	UXZZUNGLDYNNSM-HXUWFJFHSA-N	1	0	362.470	1.961	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cccc3[nH]c(=O)[nH]c32)C[C@H]1C	ZINC001104303382	774382877	/nfs/dbraw/zinc/38/28/77/774382877.db2.gz	YUQVJYIHHOOMDS-HUUCEWRRSA-N	1	0	370.453	1.606	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2ncoc2C)C1=O	ZINC001087130632	774442510	/nfs/dbraw/zinc/44/25/10/774442510.db2.gz	ASUAOOLOIHHPQT-VNQPRFMTSA-N	1	0	360.458	1.600	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C2CC2)[C@@H]2CCCCO2)CC1	ZINC000656310642	774896939	/nfs/dbraw/zinc/89/69/39/774896939.db2.gz	BVZMBNIQHSSPAM-ROUUACIJSA-N	1	0	363.502	1.607	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1	ZINC001104320783	774927844	/nfs/dbraw/zinc/92/78/44/774927844.db2.gz	FEGWDRZJQJBJMB-LZQZEXGQSA-N	1	0	368.481	1.659	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2c(C)ncn2C)C[C@H]1C	ZINC001104320913	774931133	/nfs/dbraw/zinc/93/11/33/774931133.db2.gz	KMTYCBKEPDQWGY-FVQBIDKESA-N	1	0	361.490	1.107	20	30		FDEDRO
Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)nc1C	ZINC001104422222	783219335	/nfs/dbraw/zinc/21/93/35/783219335.db2.gz	GQCOJEQACJZGON-GDBMZVCRSA-N	1	0	357.458	1.026	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2CN(C)CCO2)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087141083	775141722	/nfs/dbraw/zinc/14/17/22/775141722.db2.gz	AYYUEHOMYREQGE-LSTHTHJFSA-N	1	0	370.497	1.606	20	30		FDEDRO
C#CCOc1ccc(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)cc1	ZINC000160755684	775258306	/nfs/dbraw/zinc/25/83/06/775258306.db2.gz	MKPFVPSEUQBAOU-UHFFFAOYSA-N	1	0	364.449	1.775	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1	ZINC000276104960	775898499	/nfs/dbraw/zinc/89/84/99/775898499.db2.gz	WXFDTDSBQPITDC-QGZVFWFLSA-N	1	0	355.438	1.724	20	30		FDEDRO
COc1cc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2ccc(C#N)[nH]2)on1	ZINC001087150502	775991117	/nfs/dbraw/zinc/99/11/17/775991117.db2.gz	BTQVOTJJBLPRKT-OCCSQVGLSA-N	1	0	357.414	1.913	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCC2(CC#N)CC2)c1	ZINC000430566812	776031624	/nfs/dbraw/zinc/03/16/24/776031624.db2.gz	TWTQDTDKFMUUNO-UHFFFAOYSA-N	1	0	357.458	1.471	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C4=CCCC4)C[C@H]32)CC1	ZINC001021883866	776487533	/nfs/dbraw/zinc/48/75/33/776487533.db2.gz	NLWHGRCZAPFWGR-RBUKOAKNSA-N	1	0	355.482	1.501	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)CC(F)(F)F)C[C@H]32)CC1	ZINC001021884101	776497247	/nfs/dbraw/zinc/49/72/47/776497247.db2.gz	SSPAZZQGOPCSJN-LSDHHAIUSA-N	1	0	371.403	1.343	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)/C=C(\C)C4CC4)C[C@H]32)CC1	ZINC001021884343	776499303	/nfs/dbraw/zinc/49/93/03/776499303.db2.gz	XAIFFUCQKXGVAV-AFFAOIEBSA-N	1	0	369.509	1.747	20	30		FDEDRO
C=CCn1cc(C(=O)N2CCO[C@@H]3C[N@@H+]([C@H](C)c4ccccc4)C[C@@H]32)nn1	ZINC001083217718	776592179	/nfs/dbraw/zinc/59/21/79/776592179.db2.gz	LZUOFEHZIKHFTP-AYOQOUSVSA-N	1	0	367.453	1.751	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1	ZINC001021941393	776755877	/nfs/dbraw/zinc/75/58/77/776755877.db2.gz	KNLYMVDUDOMSIL-HPBDAGMYSA-N	1	0	361.486	1.121	20	30		FDEDRO
C=C(C)C[C@@H](CO)NC(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1	ZINC000891406913	776912061	/nfs/dbraw/zinc/91/20/61/776912061.db2.gz	MBOCSQVXNFKUHQ-KRWDZBQOSA-N	1	0	374.485	1.210	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cnn(C)c2Cl)C[C@H]1C	ZINC001104355053	776933488	/nfs/dbraw/zinc/93/34/88/776933488.db2.gz	LKTDMLSQNSCEBN-CHWSQXEVSA-N	1	0	367.881	1.064	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2cnnn2C)C1	ZINC001075421265	777073900	/nfs/dbraw/zinc/07/39/00/777073900.db2.gz	WDKZTUAHKKOXBG-SJLPKXTDSA-N	1	0	369.444	1.813	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H]2CC(=O)N(C)C2)C1	ZINC001075421321	777076690	/nfs/dbraw/zinc/07/66/90/777076690.db2.gz	ZLQSTCNKBHDTCE-ZHALLVOQSA-N	1	0	371.456	1.459	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2[nH]nnc2C)C1	ZINC001075422063	777247724	/nfs/dbraw/zinc/24/77/24/777247724.db2.gz	IXHQOECXXLADHR-NVXWUHKLSA-N	1	0	355.417	1.721	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CC(C)(C)O)C1=O	ZINC001087158687	777276849	/nfs/dbraw/zinc/27/68/49/777276849.db2.gz	QAJAOHFUOGALSW-PMPSAXMXSA-N	1	0	351.491	1.151	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2cnn(C)n2)C1	ZINC001075423265	777848057	/nfs/dbraw/zinc/84/80/57/777848057.db2.gz	UBEFJRHBRBLVCS-SJLPKXTDSA-N	1	0	369.444	1.813	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC(C)CC2)C1	ZINC001022099231	777906129	/nfs/dbraw/zinc/90/61/29/777906129.db2.gz	GNRVBDAXODKXOJ-XDNAFOTISA-N	1	0	363.502	1.463	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1	ZINC000891501070	778153001	/nfs/dbraw/zinc/15/30/01/778153001.db2.gz	YYCPOIXBNONCQR-GXTWGEPZSA-N	1	0	356.348	1.868	20	30		FDEDRO
C[C@@H]1CN(C(=O)COC2CCCCC2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104374473	778562365	/nfs/dbraw/zinc/56/23/65/778562365.db2.gz	VGKCUDLJCIHKIP-HZPDHXFCSA-N	1	0	364.490	1.050	20	30		FDEDRO
C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CCC[C@](C)(C#N)C2)CC1	ZINC000785071941	778598837	/nfs/dbraw/zinc/59/88/37/778598837.db2.gz	PPPPPPBOJUANNK-HXUWFJFHSA-N	1	0	369.469	1.529	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CCOC[C@H]2CCCO2)C[C@H]1C	ZINC001104376927	778692260	/nfs/dbraw/zinc/69/22/60/778692260.db2.gz	ZJLRCDLTXZRQMO-GUDVDZBRSA-N	1	0	368.518	1.849	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C)nc4n[nH]c(C)c43)[C@H]2C1	ZINC001083224397	779069198	/nfs/dbraw/zinc/06/91/98/779069198.db2.gz	WZRDWRYNCBJLPK-JKSUJKDBSA-N	1	0	355.442	1.676	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)cc1	ZINC001022333835	779420988	/nfs/dbraw/zinc/42/09/88/779420988.db2.gz	CQMZEAMFCDXMRU-VQTJNVASSA-N	1	0	365.477	1.683	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)CC[N@@H+]1C	ZINC000971828597	779649529	/nfs/dbraw/zinc/64/95/29/779649529.db2.gz	HXMXPHYWMILDPC-OIPACUDHSA-N	1	0	369.469	1.290	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2CCCNC2=O)[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001087177713	779765462	/nfs/dbraw/zinc/76/54/62/779765462.db2.gz	NCXQAPRUWHNUEE-AYOQOUSVSA-N	1	0	368.481	1.801	20	30		FDEDRO
N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC=CCC2)C[C@H]1c1ccccc1	ZINC001211526540	779978835	/nfs/dbraw/zinc/97/88/35/779978835.db2.gz	LHJCVPIDFBJALQ-CEXWTWQISA-N	1	0	366.465	1.567	20	30		FDEDRO
C[C@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1	ZINC000971851227	779986260	/nfs/dbraw/zinc/98/62/60/779986260.db2.gz	MSLJZUNTIDNEQF-PBFPGSCMSA-N	1	0	366.425	1.161	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4CCC4(C)C)[C@@H]3C2)CC1	ZINC001022441838	780212139	/nfs/dbraw/zinc/21/21/39/780212139.db2.gz	ABDMZDGPRFMHDV-GBESFXJTSA-N	1	0	371.525	1.827	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087184183	780343825	/nfs/dbraw/zinc/34/38/25/780343825.db2.gz	BEVORAPPRSAWPD-LZQZEXGQSA-N	1	0	368.481	1.801	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000458171425	780549620	/nfs/dbraw/zinc/54/96/20/780549620.db2.gz	PXGVVNFZOARNEZ-AWEZNQCLSA-N	1	0	352.442	1.788	20	30		FDEDRO
COC(=O)C[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C(C)(C)C	ZINC000934031719	780650742	/nfs/dbraw/zinc/65/07/42/780650742.db2.gz	OSOIDEALOQGUAB-JKSUJKDBSA-N	1	0	366.506	1.246	20	30		FDEDRO
CC(C)(CC#N)CNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000458284994	780871949	/nfs/dbraw/zinc/87/19/49/780871949.db2.gz	ZCMIJJJQQAPHLW-UHFFFAOYSA-N	1	0	373.505	1.618	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NC[C@H]([NH3+])c3ccccc3)CC2)cn1	ZINC000892030890	781286434	/nfs/dbraw/zinc/28/64/34/781286434.db2.gz	PBEINKLFUFETDG-SFHVURJKSA-N	1	0	350.426	1.485	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCCO2)C[C@H]1c1ccccc1	ZINC001211535558	781294405	/nfs/dbraw/zinc/29/44/05/781294405.db2.gz	HRMXYTHLWYFVGE-HSALFYBXSA-N	1	0	356.466	1.790	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)=O)C[C@H]1c1ccccc1	ZINC001211535867	781344990	/nfs/dbraw/zinc/34/49/90/781344990.db2.gz	OYSPVDGBIPVZST-RBUKOAKNSA-N	1	0	359.470	1.252	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)c4oncc4C)[C@@H]3C2)CC1	ZINC001022593560	781427822	/nfs/dbraw/zinc/42/78/22/781427822.db2.gz	PIQMGUAVLRXZAD-DLBZAZTESA-N	1	0	370.453	1.001	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@H]1C	ZINC001104398319	781651246	/nfs/dbraw/zinc/65/12/46/781651246.db2.gz	FRDHWWYBLAHERK-BPLDGKMQSA-N	1	0	356.898	1.604	20	30		FDEDRO
CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1	ZINC000472116025	781670793	/nfs/dbraw/zinc/67/07/93/781670793.db2.gz	UCKLTXAKVAVFKR-AWEZNQCLSA-N	1	0	361.494	1.162	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3CN(C(=O)[C@H]4CCCC[N@H+]4C)C[C@H]32)c1	ZINC001022635576	781691742	/nfs/dbraw/zinc/69/17/42/781691742.db2.gz	XAJLAHLFCYZMRZ-QXAKKESOSA-N	1	0	366.465	1.220	20	30		FDEDRO
COC(=O)[C@@]1(NC(=O)c2ccc(C#N)[nH]2)CCC[N@H+](Cc2ccccc2)C1	ZINC000121744573	781733037	/nfs/dbraw/zinc/73/30/37/781733037.db2.gz	HXRZWGBXCNJHRT-HXUWFJFHSA-N	1	0	366.421	1.824	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1c1ccccc1	ZINC001211537948	781777474	/nfs/dbraw/zinc/77/74/74/781777474.db2.gz	JQBIMDWSVKYNMZ-JCGIZDLHSA-N	1	0	367.453	1.298	20	30		FDEDRO
CC(C)[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@@H](O)COc1ccccc1	ZINC000277797908	783348105	/nfs/dbraw/zinc/34/81/05/783348105.db2.gz	OBXIETPJFNGQFE-YLJYHZDGSA-N	1	0	359.470	1.945	20	30		FDEDRO
O=C(N1CCO[C@@H]2CN(CC#Cc3ccccc3)C[C@@H]21)C12CC[NH+](CC1)C2	ZINC001083249365	783504284	/nfs/dbraw/zinc/50/42/84/783504284.db2.gz	AIQYBFJVYRWYRL-VQTJNVASSA-N	1	0	365.477	1.046	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@H]1c1ccccc1	ZINC001211629326	783724897	/nfs/dbraw/zinc/72/48/97/783724897.db2.gz	KWLGSVFESHKKKD-RBUKOAKNSA-N	1	0	353.466	1.606	20	30		FDEDRO
N#Cc1ccccc1N1CCC(NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1	ZINC000892428599	783780877	/nfs/dbraw/zinc/78/08/77/783780877.db2.gz	FOVSVSWNEGBGRY-HXUWFJFHSA-N	1	0	353.470	1.922	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3cccc(F)c3)C[C@H]21	ZINC000972835568	783904356	/nfs/dbraw/zinc/90/43/56/783904356.db2.gz	YKWPLKLMKYYZOE-NZSAHSFTSA-N	1	0	369.440	1.596	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]3C2)cn1	ZINC000972859605	783959224	/nfs/dbraw/zinc/95/92/24/783959224.db2.gz	KQRSWQXYHAOCPM-KBAYOESNSA-N	1	0	354.454	1.076	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001024157751	784031636	/nfs/dbraw/zinc/03/16/36/784031636.db2.gz	GZRPLRBVAWKPDV-QRVBRYPASA-N	1	0	368.481	1.611	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C	ZINC000658613331	784649655	/nfs/dbraw/zinc/64/96/55/784649655.db2.gz	AHOXZPMPTDYOGN-MRXNPFEDSA-N	1	0	361.442	1.719	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1c1ccccc1	ZINC001211631373	784783841	/nfs/dbraw/zinc/78/38/41/784783841.db2.gz	DNEMFHKRCYHALX-FGTMMUONSA-N	1	0	362.495	1.581	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1	ZINC001024531335	785045633	/nfs/dbraw/zinc/04/56/33/785045633.db2.gz	KCPWMMLCVIAFES-OWCLPIDISA-N	1	0	351.491	1.007	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3CC[C@H](O)C3)cn2)CC1	ZINC000329922978	785183967	/nfs/dbraw/zinc/18/39/67/785183967.db2.gz	IGBAVMAPYGTQHO-WBVHZDCISA-N	1	0	361.490	1.388	20	30		FDEDRO
CN(C(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1)[C@@H]1CCC[N@H+](C)C1	ZINC000364971307	785250624	/nfs/dbraw/zinc/25/06/24/785250624.db2.gz	DLARNRIXKJVBKJ-QZTJIDSGSA-N	1	0	354.454	1.602	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN([C@H](C)C(=O)Nc3cccc(C#N)c3)C2)CC1	ZINC000375900277	785260778	/nfs/dbraw/zinc/26/07/78/785260778.db2.gz	GFQDYJGIPMHYRS-YLJYHZDGSA-N	1	0	369.513	1.986	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)COC)C[C@H]1c1ccccc1	ZINC001211634871	785365177	/nfs/dbraw/zinc/36/51/77/785365177.db2.gz	KNQADWGFRBFDOB-RBUKOAKNSA-N	1	0	358.482	1.893	20	30		FDEDRO
CN(CCc1cccc(C#N)c1)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2	ZINC000892760891	791114878	/nfs/dbraw/zinc/11/48/78/791114878.db2.gz	RQDMTZWHCIWTBR-SFHVURJKSA-N	1	0	356.470	1.901	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCCc1nc(C)no1	ZINC001024661645	785651661	/nfs/dbraw/zinc/65/16/61/785651661.db2.gz	KNJRYTQPMCVXMT-BBWFWOEESA-N	1	0	362.474	1.872	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1	ZINC001024745719	785881907	/nfs/dbraw/zinc/88/19/07/785881907.db2.gz	HSGQCVZBSMVCSZ-ZIAGYGMSSA-N	1	0	369.893	1.081	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)NCC#CCO)CC1	ZINC000923782326	786698375	/nfs/dbraw/zinc/69/83/75/786698375.db2.gz	OVKFALYPMUIKQK-HNNXBMFYSA-N	1	0	362.449	1.324	20	30		FDEDRO
CN1CC[NH+](C[C@H]2CCCN(c3cc(N)c([N+](=O)[O-])c(C#N)c3)C2)CC1	ZINC000376187588	786699199	/nfs/dbraw/zinc/69/91/99/786699199.db2.gz	MMMYHDXPVOHVIF-CQSZACIVSA-N	1	0	358.446	1.512	20	30		FDEDRO
O=C(NC[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21)[C@@H]1C[C@H]2CC[C@@H]1O2	ZINC000978743144	805738349	/nfs/dbraw/zinc/73/83/49/805738349.db2.gz	QBGMKGAZTLEVIF-SOXBMFEASA-N	1	0	350.462	1.900	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)NCCn2cnc(C#N)n2)CC[N@@H+]1Cc1ccccc1	ZINC000376300417	787192050	/nfs/dbraw/zinc/19/20/50/787192050.db2.gz	JKKKULLLDZTLPT-NVXWUHKLSA-N	1	0	367.457	1.502	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1	ZINC000376310983	787224466	/nfs/dbraw/zinc/22/44/66/787224466.db2.gz	KZMDWINARHLZKJ-XYJFISCASA-N	1	0	367.449	1.580	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+][C@@H](C)COC)C2)nn1	ZINC001211683999	805795343	/nfs/dbraw/zinc/79/53/43/805795343.db2.gz	HKVPHFGGJDCXAM-RYQLBKOJSA-N	1	0	369.469	1.697	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccnc(OC)c3)C[C@H]21	ZINC000978829687	805804327	/nfs/dbraw/zinc/80/43/27/805804327.db2.gz	PPNSUUHTKNZTBA-CBNQQXHVSA-N	1	0	371.481	1.865	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCc3ccns3)C[C@H]21	ZINC000978839619	805807821	/nfs/dbraw/zinc/80/78/21/805807821.db2.gz	KVVHAGYMNZHHJM-TXTZMMAHSA-N	1	0	361.511	1.961	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C)C2)C[C@H]1c1ccccc1	ZINC001211684417	805827028	/nfs/dbraw/zinc/82/70/28/805827028.db2.gz	XJSFPELAVOHRIQ-YZGWKJHDSA-N	1	0	367.493	1.852	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1	ZINC000659090827	787986123	/nfs/dbraw/zinc/98/61/23/787986123.db2.gz	DKQJXWODYRSBBG-GDBMZVCRSA-N	1	0	372.473	1.076	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C3CCC3)C2)CC1	ZINC000973325066	788564021	/nfs/dbraw/zinc/56/40/21/788564021.db2.gz	IFBQISLIPNJICC-CADBVGFASA-N	1	0	357.498	1.531	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000973330963	788595002	/nfs/dbraw/zinc/59/50/02/788595002.db2.gz	VOVJQFLSIIQYJQ-AHCXZYCDSA-N	1	0	368.437	1.693	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)Cc2ncccc2OC)C[C@H]1C	ZINC001104585795	788722278	/nfs/dbraw/zinc/72/22/78/788722278.db2.gz	XJUUWJAHNRPBJQ-IAGOWNOFSA-N	1	0	359.470	1.357	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)Nc1ccccc1N1CC[NH+](C)CC1	ZINC000782911057	788810110	/nfs/dbraw/zinc/81/01/10/788810110.db2.gz	QKXZVAVIZLHNFJ-UHFFFAOYSA-N	1	0	366.487	1.161	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccnc3c1ncn3C)C2	ZINC001112528807	805920079	/nfs/dbraw/zinc/92/00/79/805920079.db2.gz	RMOHFSNHACDOTQ-YWZLYKJASA-N	1	0	351.454	1.824	20	30		FDEDRO
COC[C@@H](OC)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(C#N)s2)C1	ZINC001104647577	789160019	/nfs/dbraw/zinc/16/00/19/789160019.db2.gz	BZWIKRAEECMVES-CKEIUWERSA-N	1	0	365.499	1.855	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccn(C)c2C)C[C@H]1C	ZINC001104651009	789172683	/nfs/dbraw/zinc/17/26/83/789172683.db2.gz	RTLJKURYGFVMJQ-BFYDXBDKSA-N	1	0	360.502	1.712	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCCS(C)(=O)=O)C2)C1	ZINC001104653468	789177522	/nfs/dbraw/zinc/17/75/22/789177522.db2.gz	WYLYKVCUZSHTPI-HZPDHXFCSA-N	1	0	356.532	1.852	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2occc2C)C[C@H]1C	ZINC001104660386	789211483	/nfs/dbraw/zinc/21/14/83/789211483.db2.gz	YOANHXURVLWMEW-BRWVUGGUSA-N	1	0	361.486	1.895	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)Oc2cccnc2)C[C@H]1C	ZINC001104664217	789226950	/nfs/dbraw/zinc/22/69/50/789226950.db2.gz	XONRSQTXPRDANG-FGTMMUONSA-N	1	0	359.470	1.573	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](CCC)OC)C[C@H]1c1ccccc1	ZINC001211647016	789300405	/nfs/dbraw/zinc/30/04/05/789300405.db2.gz	QLJDLFHJAYEYPL-OTWHNJEPSA-N	1	0	371.481	1.135	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1	ZINC000978980162	805958326	/nfs/dbraw/zinc/95/83/26/805958326.db2.gz	GWTUIJZBEJMKJQ-RANZSIQMSA-N	1	0	363.502	1.320	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1	ZINC000659673171	789429065	/nfs/dbraw/zinc/42/90/65/789429065.db2.gz	HTMPDEIZLRYUKN-SQNIBIBYSA-N	1	0	363.502	1.322	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCC[NH2+]Cc1cccnc1	ZINC000659709254	789549639	/nfs/dbraw/zinc/54/96/39/789549639.db2.gz	ATWGAKIEMXMMHZ-QZTJIDSGSA-N	1	0	358.486	1.929	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)C[C@H]1C	ZINC001104713300	789653593	/nfs/dbraw/zinc/65/35/93/789653593.db2.gz	BKRKBUQCNMTDFF-IJEWVQPXSA-N	1	0	371.485	1.113	20	30		FDEDRO
C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000377230100	791309249	/nfs/dbraw/zinc/30/92/49/791309249.db2.gz	YPDPBXGDZLIMTJ-VAMGGRTRSA-N	1	0	355.482	1.862	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000415072463	791344957	/nfs/dbraw/zinc/34/49/57/791344957.db2.gz	MCUMIHKYXRMZGP-OAHLLOKOSA-N	1	0	371.441	1.243	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H]2CCCn3nc(C(=O)OC)cc32)CC1	ZINC000892857819	791462844	/nfs/dbraw/zinc/46/28/44/791462844.db2.gz	KOQUEVPPTMUBLS-AWEZNQCLSA-N	1	0	361.446	1.454	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCn3nc(C(=O)OC)cc32)CC1	ZINC000892857820	791463258	/nfs/dbraw/zinc/46/32/58/791463258.db2.gz	KOQUEVPPTMUBLS-CQSZACIVSA-N	1	0	361.446	1.454	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C)CC=CC1)C2	ZINC001112522875	791770761	/nfs/dbraw/zinc/77/07/61/791770761.db2.gz	SARHRIFXCHZRHB-FIKGOQFSSA-N	1	0	357.498	1.699	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1	ZINC000415374253	792128239	/nfs/dbraw/zinc/12/82/39/792128239.db2.gz	VEQSPBCWHVKFBA-INIZCTEOSA-N	1	0	372.469	1.057	20	30		FDEDRO
N#CCOc1ccc(CN2C[C@@H](NC(=O)Cc3cccs3)[C@@H](O)C2)cc1	ZINC001083311687	806132758	/nfs/dbraw/zinc/13/27/58/806132758.db2.gz	BLTIZSWCCPDGOY-MSOLQXFVSA-N	1	0	371.462	1.554	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)ccc1OC(F)(F)F	ZINC000415413586	792219252	/nfs/dbraw/zinc/21/92/52/792219252.db2.gz	YXLDFOJTGRCEBR-JTQLQIEISA-N	1	0	370.331	1.511	20	30		FDEDRO
CCCc1c(NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])cnn1-c1cccc(C#N)c1	ZINC000415416637	792227147	/nfs/dbraw/zinc/22/71/47/792227147.db2.gz	LAWNRDLMTJMQTI-ZDUSSCGKSA-N	1	0	368.441	1.441	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1	ZINC000415433363	792260583	/nfs/dbraw/zinc/26/05/83/792260583.db2.gz	HVDLUKOCTNQQBG-ZYHUDNBSSA-N	1	0	366.368	1.684	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1	ZINC000415435390	792264703	/nfs/dbraw/zinc/26/47/03/792264703.db2.gz	JJELSXQCVHVBFB-KBPBESRZSA-N	1	0	373.457	1.518	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N(C)CC(C)(C)C[NH3+])cc1	ZINC000415485270	792342975	/nfs/dbraw/zinc/34/29/75/792342975.db2.gz	JLAXOAKYYUTDRU-UHFFFAOYSA-N	1	0	361.446	1.376	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2CCO[C@@H]3C[N@@H+](C[C@@H](C)O)C[C@@H]32)cc1	ZINC001083286565	792400745	/nfs/dbraw/zinc/40/07/45/792400745.db2.gz	QYUSRYOITZQISU-AYOQOUSVSA-N	1	0	360.454	1.086	20	30		FDEDRO
Cc1nc2ccccn2c(=O)c1CC[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000377647440	792404890	/nfs/dbraw/zinc/40/48/90/792404890.db2.gz	IMNZVXXBMSBTQC-UHFFFAOYSA-N	1	0	363.425	1.346	20	30		FDEDRO
C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000415523574	792433310	/nfs/dbraw/zinc/43/33/10/792433310.db2.gz	NLZFKNGXIBVMEI-UWVGGRQHSA-N	1	0	370.331	1.591	20	30		FDEDRO
C[NH2+]CCN(C)C(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	ZINC000415544874	792492493	/nfs/dbraw/zinc/49/24/93/792492493.db2.gz	HVPAYUVUHOWHGS-UHFFFAOYSA-N	1	0	367.409	1.670	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)[C@H](C)C[NH2+]1	ZINC000415565958	792538072	/nfs/dbraw/zinc/53/80/72/792538072.db2.gz	PJDLNWQCOUZOIA-VXGBXAGGSA-N	1	0	369.450	1.829	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)[C@@H](C)C[NH2+]1	ZINC000415577251	792580690	/nfs/dbraw/zinc/58/06/90/792580690.db2.gz	YXTJJBBMJXZRIX-UWVGGRQHSA-N	1	0	370.331	1.604	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1	ZINC000415584066	792588293	/nfs/dbraw/zinc/58/82/93/792588293.db2.gz	SBZFSZYTGOXJLZ-RRFJBIMHSA-N	1	0	356.426	1.481	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1	ZINC000415584065	792588467	/nfs/dbraw/zinc/58/84/67/792588467.db2.gz	SBZFSZYTGOXJLZ-KKUMJFAQSA-N	1	0	356.426	1.481	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1C#N	ZINC000415581896	792597690	/nfs/dbraw/zinc/59/76/90/792597690.db2.gz	NZODHPUZMNJURM-XKQJLSEDSA-N	1	0	370.453	1.870	20	30		FDEDRO
CCCc1c(NC(=O)C(=O)N[C@H](C)C[NH3+])cnn1-c1cccc(C#N)c1	ZINC000415605808	792667368	/nfs/dbraw/zinc/66/73/68/792667368.db2.gz	XPUOBVPIKBTXES-GFCCVEGCSA-N	1	0	354.414	1.098	20	30		FDEDRO
O=C(NCC[C@H]1CCC[NH2+]1)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000415623141	792715417	/nfs/dbraw/zinc/71/54/17/792715417.db2.gz	FOVWEKDZRWYATE-GOSISDBHSA-N	1	0	362.433	1.678	20	30		FDEDRO
C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000415646919	792742801	/nfs/dbraw/zinc/74/28/01/792742801.db2.gz	DRQXPLHHIPZWAS-JOYOIKCWSA-N	1	0	370.331	1.510	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1	ZINC000377779590	792769777	/nfs/dbraw/zinc/76/97/77/792769777.db2.gz	YWCIRSJHFMCVSX-OAGGEKHMSA-N	1	0	364.490	1.936	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1	ZINC000415684836	792797380	/nfs/dbraw/zinc/79/73/80/792797380.db2.gz	XXQVCOXSXCPIGW-CQSZACIVSA-N	1	0	374.441	1.109	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N(CC[NH3+])CCc2ccccc2)c1	ZINC000415689620	792818759	/nfs/dbraw/zinc/81/87/59/792818759.db2.gz	ICWVBVBGJGRZAH-UHFFFAOYSA-N	1	0	350.422	1.835	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N(C)C2CC([NH3+])C2)cc1	ZINC000415783355	792985504	/nfs/dbraw/zinc/98/55/04/792985504.db2.gz	CXEFCSGJEIHQCJ-UHFFFAOYSA-N	1	0	370.453	1.387	20	30		FDEDRO
N#CCc1cccc(NC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1	ZINC000415814141	793045903	/nfs/dbraw/zinc/04/59/03/793045903.db2.gz	QXWZECLTCCCQTK-MRXNPFEDSA-N	1	0	355.442	1.428	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1C(F)(F)F	ZINC000415885259	793270686	/nfs/dbraw/zinc/27/06/86/793270686.db2.gz	FHKWTSBFXYAMCQ-VXGBXAGGSA-N	1	0	366.343	1.583	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21	ZINC001026096065	793284595	/nfs/dbraw/zinc/28/45/95/793284595.db2.gz	NOQWAKXLUXWKLA-ZRTWPRGNSA-N	1	0	371.485	1.183	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H]3c4ccccc4NC3=O)[C@H]2C1	ZINC001083290198	793333821	/nfs/dbraw/zinc/33/38/21/793333821.db2.gz	MKPRNUUZBPWYCL-YTQUADARSA-N	1	0	369.465	1.990	20	30		FDEDRO
N#Cc1c(F)cccc1N1CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1	ZINC000415996254	793471090	/nfs/dbraw/zinc/47/10/90/793471090.db2.gz	OVZUGNZLZZFJRF-AWEZNQCLSA-N	1	0	373.354	1.809	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C)nc2OC)C[C@H]1C	ZINC001104761778	793533613	/nfs/dbraw/zinc/53/36/13/793533613.db2.gz	ZZSMWVMZLNVURJ-NVXWUHKLSA-N	1	0	359.470	1.736	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC)C1	ZINC001104774646	793575159	/nfs/dbraw/zinc/57/51/59/793575159.db2.gz	OZAMUDMIIDYJRV-VXNCWWDNSA-N	1	0	365.518	1.568	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C[C@H]1C	ZINC001104781271	793627285	/nfs/dbraw/zinc/62/72/85/793627285.db2.gz	TWGKMLSIDHDFDS-NCXUSEDFSA-N	1	0	358.486	1.386	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)C2CC3(C2)NC(=O)NC3=O)C[C@H]1C	ZINC001104782581	793633209	/nfs/dbraw/zinc/63/32/09/793633209.db2.gz	JVZCGOBNWPZDQE-IUGDKWEMSA-N	1	0	362.474	1.015	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2csc(-c3nc[nH]n3)n2)C[C@H]1C	ZINC001104787691	793656925	/nfs/dbraw/zinc/65/69/25/793656925.db2.gz	MUVJOTHCQYZZQR-CHWSQXEVSA-N	1	0	358.471	1.639	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1	ZINC000378190843	793677629	/nfs/dbraw/zinc/67/76/29/793677629.db2.gz	NIJUNBJOPGXAQO-UHFFFAOYSA-N	1	0	369.469	1.885	20	30		FDEDRO
CNC(=O)C1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cccc(C#N)c3)C2)CC1	ZINC001104789435	793696078	/nfs/dbraw/zinc/69/60/78/793696078.db2.gz	CJXQWJZGWQMSBA-CRAIPNDOSA-N	1	0	368.481	1.659	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)c2cn3nc(C)cc3[nH]c2=O)C[C@H]1C	ZINC001104792478	793704413	/nfs/dbraw/zinc/70/44/13/793704413.db2.gz	WSNDPLYMUJYBGO-GDBMZVCRSA-N	1	0	371.485	1.985	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1COC(=O)COC1(C)CN(C(=O)OC(C)(C)C)C1	ZINC000783091000	793707576	/nfs/dbraw/zinc/70/75/76/793707576.db2.gz	ROZUPASFPWJUFQ-HNNXBMFYSA-N	1	0	366.458	1.653	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cnc(C)nc2C)C[C@H]1C	ZINC001104806715	793782524	/nfs/dbraw/zinc/78/25/24/793782524.db2.gz	CSMAFMLPPMENKV-CZUORRHYSA-N	1	0	359.474	1.083	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccc(OC)o2)C[C@H]1C	ZINC001104828541	793936599	/nfs/dbraw/zinc/93/65/99/793936599.db2.gz	KJAOFAIHLCNUNC-RBSFLKMASA-N	1	0	361.442	1.114	20	30		FDEDRO
CCCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C2)c(C)n1	ZINC001104832955	793966175	/nfs/dbraw/zinc/96/61/75/793966175.db2.gz	DYZBXPWUCCGISJ-SJLPKXTDSA-N	1	0	360.502	1.939	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)c2cnn(C)c2)C[C@H]1C	ZINC001104855507	794075233	/nfs/dbraw/zinc/07/52/33/794075233.db2.gz	OOKRHAVLJUHAMS-IAGOWNOFSA-N	1	0	362.518	1.975	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)C[C@H]1C	ZINC001104852196	794076390	/nfs/dbraw/zinc/07/63/90/794076390.db2.gz	LMRWHOPPGXURIB-IXDOHACOSA-N	1	0	361.490	1.579	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(NC(C)=O)ccc3C)[C@H]2C1	ZINC001083292924	794191355	/nfs/dbraw/zinc/19/13/55/794191355.db2.gz	DQBIHVNDUSYWFM-RBUKOAKNSA-N	1	0	355.438	1.502	20	30		FDEDRO
Cc1cc(NC(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)nn1CCC#N	ZINC000378520974	794259900	/nfs/dbraw/zinc/25/99/00/794259900.db2.gz	OHVGNRPQHIBUGG-HOTGVXAUSA-N	1	0	360.462	1.728	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(N)=O)C[C@H]1C	ZINC001104895617	794279066	/nfs/dbraw/zinc/27/90/66/794279066.db2.gz	CCSINLLVSGIWBM-YUELXQCFSA-N	1	0	356.898	1.746	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCCN2C(N)=O)C[C@H]1C	ZINC001104895616	794279325	/nfs/dbraw/zinc/27/93/25/794279325.db2.gz	CCSINLLVSGIWBM-BPLDGKMQSA-N	1	0	356.898	1.746	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)n2cncn2)C1	ZINC001087425940	806328640	/nfs/dbraw/zinc/32/86/40/806328640.db2.gz	CGQVCFQMKXEZEA-BHIYHBOVSA-N	1	0	351.454	1.837	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nccn3C)C2)nc1	ZINC001104923551	794417600	/nfs/dbraw/zinc/41/76/00/794417600.db2.gz	JIIKFZDZPZIWQZ-NVXWUHKLSA-N	1	0	351.454	1.684	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCc3ccnn3C)C2)cn1	ZINC001104927470	794433497	/nfs/dbraw/zinc/43/34/97/794433497.db2.gz	FTAFBEBQLPJSMN-SJLPKXTDSA-N	1	0	365.481	1.727	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ncccc2Cl)C[C@H]1C	ZINC001104931009	794458820	/nfs/dbraw/zinc/45/88/20/794458820.db2.gz	JFQRYIAAKGDQTB-ZIAGYGMSSA-N	1	0	364.877	1.725	20	30		FDEDRO
CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC[C@H]1C[N@@H+](C)CCN1C	ZINC000329358294	794505506	/nfs/dbraw/zinc/50/55/06/794505506.db2.gz	HNBKOXMTMAHJTE-HKUYNNGSSA-N	1	0	358.486	1.725	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C[C@H]1C	ZINC001104952367	794536822	/nfs/dbraw/zinc/53/68/22/794536822.db2.gz	UBOLRSASYVRREV-JFIYKMOQSA-N	1	0	371.547	1.499	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ncnn2C)C1	ZINC001104954935	794554244	/nfs/dbraw/zinc/55/42/44/794554244.db2.gz	ZXVXZOAAFAOWGQ-VQIMIIECSA-N	1	0	365.481	1.613	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3nnn(C)c3c2)C[C@H]1C	ZINC001104957248	794565576	/nfs/dbraw/zinc/56/55/76/794565576.db2.gz	FIVFBRFXQWUROQ-NVXWUHKLSA-N	1	0	369.469	1.306	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)c2cnn(CCOC)c2)C[C@H]1C	ZINC001104961616	794590623	/nfs/dbraw/zinc/59/06/23/794590623.db2.gz	MFZLLBCHLHBWER-UKRRQHHQSA-N	1	0	354.882	1.970	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2c(C)n(C)nc2Cl)C[C@H]1C	ZINC001104960365	794596377	/nfs/dbraw/zinc/59/63/77/794596377.db2.gz	WSUJGQUMVYTEPA-UKRRQHHQSA-N	1	0	366.893	1.720	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1	ZINC000974174495	794614644	/nfs/dbraw/zinc/61/46/44/794614644.db2.gz	PDWHOVJIZCBHLS-LVEJAMMSSA-N	1	0	363.502	1.463	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)c2ccc(C)s2)C[C@H]1C	ZINC001104975149	794689620	/nfs/dbraw/zinc/68/96/20/794689620.db2.gz	WPPNVZLGMXGEIH-GDBMZVCRSA-N	1	0	361.511	1.884	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)c2ccco2)C[C@H]1C	ZINC001104976154	794693206	/nfs/dbraw/zinc/69/32/06/794693206.db2.gz	GRNQQDBMMKQWTR-TZMCWYRMSA-N	1	0	353.850	1.836	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)c2ccc(F)cc2)C[C@H]1C	ZINC001104976280	794693746	/nfs/dbraw/zinc/69/37/46/794693746.db2.gz	INBSMXGAHAAPOK-NVXWUHKLSA-N	1	0	359.445	1.653	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(C)n(C)c2C)C[C@H]1C	ZINC001104992974	794751183	/nfs/dbraw/zinc/75/11/83/794751183.db2.gz	AGISETNBKBMSAL-RHSMWYFYSA-N	1	0	360.502	1.632	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H](CN(C)c3ccnc(C#N)n3)C2)CC[N@@H+]1C	ZINC001058708309	794760518	/nfs/dbraw/zinc/76/05/18/794760518.db2.gz	HZLQTPKOCGHXGI-BZUAXINKSA-N	1	0	356.474	1.363	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)Cn2c3ccccc3oc2=O)C[C@H]1C	ZINC001104997322	794801307	/nfs/dbraw/zinc/80/13/07/794801307.db2.gz	YLCDIJHKUOJXNX-HZPDHXFCSA-N	1	0	355.438	1.692	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](NC(=O)C[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000974224387	794814503	/nfs/dbraw/zinc/81/45/03/794814503.db2.gz	YOQMTGLTUYWPLS-OKYOBFRVSA-N	1	0	357.498	1.531	20	30		FDEDRO
C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)Nc1ncccc1OCCCC#N	ZINC000416987669	794867087	/nfs/dbraw/zinc/86/70/87/794867087.db2.gz	BRGCSUIYSAPZSM-LSDHHAIUSA-N	1	0	361.446	1.683	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(=O)c2ccsc2)C[C@H]1C	ZINC001105030992	794978076	/nfs/dbraw/zinc/97/80/76/794978076.db2.gz	DHFGRGIARXDGSM-HZPDHXFCSA-N	1	0	361.511	1.918	20	30		FDEDRO
C[C@@H]1CN(C(=O)C23CCC(CC2)CC3)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001105044370	795044756	/nfs/dbraw/zinc/04/47/56/795044756.db2.gz	GQJVNWFHUMQMNB-NZEHOUKNSA-N	1	0	360.502	1.671	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CCC(=O)N(CC)CC)C[C@H]1C	ZINC001105049618	795058458	/nfs/dbraw/zinc/05/84/58/795058458.db2.gz	CAOJQCHEGPEWTO-QZTJIDSGSA-N	1	0	367.534	1.912	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCCC2(C)C)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001105082667	795179694	/nfs/dbraw/zinc/17/96/94/795179694.db2.gz	MPHZAGMJKYVMOW-ZACQAIPSSA-N	1	0	362.518	1.917	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH+]2CCC(N3CCN(C)CC3=O)CC2)cc1	ZINC000364105709	795181475	/nfs/dbraw/zinc/18/14/75/795181475.db2.gz	MKTRKNGWSKFZGV-MRXNPFEDSA-N	1	0	356.470	1.716	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ncnn2CCF)C1	ZINC001105085200	795201414	/nfs/dbraw/zinc/20/14/14/795201414.db2.gz	DTOKDQXZYWMSQH-HZPDHXFCSA-N	1	0	367.469	1.415	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](CCCC)C(N)=O)C1	ZINC001105089958	795232410	/nfs/dbraw/zinc/23/24/10/795232410.db2.gz	CNVXJRMRZJLXBX-ZACQAIPSSA-N	1	0	353.507	1.697	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCCCC2)C1	ZINC001105090083	795232919	/nfs/dbraw/zinc/23/29/19/795232919.db2.gz	IHXVNCPEWVRFIK-FGTMMUONSA-N	1	0	365.518	1.664	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccccc2N(C)C)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001105099402	795277712	/nfs/dbraw/zinc/27/77/12/795277712.db2.gz	UGUVODGLEWVDGJ-HZPDHXFCSA-N	1	0	371.485	1.080	20	30		FDEDRO
C=CCN(CCCN1C(=O)CNC1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000364165161	795312874	/nfs/dbraw/zinc/31/28/74/795312874.db2.gz	RDVAKXAWFVJSPR-GOSISDBHSA-N	1	0	356.470	1.691	20	30		FDEDRO
C[C@@H]([NH3+])C1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000418014075	795462180	/nfs/dbraw/zinc/46/21/80/795462180.db2.gz	UDHASAZJMKNFOG-KDOFPFPSSA-N	1	0	369.469	1.822	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cn4cccn4)[C@@H]3C2)cc1C#N	ZINC001075550387	795553972	/nfs/dbraw/zinc/55/39/72/795553972.db2.gz	NYDUNJWGNWOXAR-FUHWJXTLSA-N	1	0	365.437	1.496	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CCC([NH2+]CC(=O)N2CCC2)CC1	ZINC001026572818	795575379	/nfs/dbraw/zinc/57/53/79/795575379.db2.gz	FKIYUIUJJKZTOJ-AKSNENBUSA-N	1	0	363.502	1.607	20	30		FDEDRO
N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2ccco2)C[C@H]1c1ccccc1	ZINC001211692910	806444990	/nfs/dbraw/zinc/44/49/90/806444990.db2.gz	RWCULPJZXDGTGO-ZWKOTPCHSA-N	1	0	366.421	1.046	20	30		FDEDRO
CC1(C)CC[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC#N)C1	ZINC001211655791	795768084	/nfs/dbraw/zinc/76/80/84/795768084.db2.gz	YGSYWRQIEQGORW-RCCFBDPRSA-N	1	0	368.481	1.647	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H](C[NH3+])C1CCCCC1	ZINC000418370156	795828009	/nfs/dbraw/zinc/82/80/09/795828009.db2.gz	VJQRHBYDLDNSCY-ZBFHGGJFSA-N	1	0	371.489	1.476	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)C2CCN(c3cc(C)nc(C)n3)CC2)CC1	ZINC000364479227	796154895	/nfs/dbraw/zinc/15/48/95/796154895.db2.gz	BXVKAFOLXOJATO-UHFFFAOYSA-N	1	0	369.513	1.866	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1	ZINC000974531530	796275439	/nfs/dbraw/zinc/27/54/39/796275439.db2.gz	SXFYGXBCHCRRLP-ZTFGCOKTSA-N	1	0	354.454	1.581	20	30		FDEDRO
COc1ccc(C#N)cc1CN1C[C@@H]2CCN(C(=O)c3cnns3)[C@@H]2C1	ZINC001075583767	806661411	/nfs/dbraw/zinc/66/14/11/806661411.db2.gz	HOLPKTPXFNHIEY-DZGCQCFKSA-N	1	0	369.450	1.765	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnc(C3CC3)o2)C1	ZINC001026851092	799996411	/nfs/dbraw/zinc/99/64/11/799996411.db2.gz	JKSCUGYHILQISJ-IMJJTQAJSA-N	1	0	360.458	1.866	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nn(CC)nc2C)C1	ZINC001026849723	800015947	/nfs/dbraw/zinc/01/59/47/800015947.db2.gz	DEGQYANBDVNLIR-JZXOWHBKSA-N	1	0	361.490	1.526	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)C[C@@H]4CC[N@@H+](C)C4)C[C@H]32)cn1	ZINC000974679698	800060583	/nfs/dbraw/zinc/06/05/83/800060583.db2.gz	LXNLNOCJPBGFBI-KVSKMBFKSA-N	1	0	366.465	1.078	20	30		FDEDRO
CC(C)(C(=O)N1C[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21)[NH+]1CCCC1	ZINC000974714356	800158410	/nfs/dbraw/zinc/15/84/10/800158410.db2.gz	JNBUCGSWBHTRSA-RHSMWYFYSA-N	1	0	369.469	1.434	20	30		FDEDRO
CC1(C)CN(Cc2ccccc2C#N)C[C@@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)C1	ZINC000975051408	800832634	/nfs/dbraw/zinc/83/26/34/800832634.db2.gz	WWIPQLJPYNIDDI-VKJFTORMSA-N	1	0	368.481	1.786	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnc(C)n2C2CC2)C1	ZINC001027074715	800885942	/nfs/dbraw/zinc/88/59/42/800885942.db2.gz	FQBDMMGZCHLEBK-UAGQMJEPSA-N	1	0	359.474	1.451	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cnnn2CC)C1	ZINC001027113408	800977335	/nfs/dbraw/zinc/97/73/35/800977335.db2.gz	AHAYHKCZZXVKOI-NJAFHUGGSA-N	1	0	361.490	1.607	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cc3n(n2)CCC3)C1	ZINC001027116499	801007660	/nfs/dbraw/zinc/00/76/60/801007660.db2.gz	CRTNZOPSSJWHDE-MNEFBYGVSA-N	1	0	358.486	1.749	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3nn[nH]c32)C[C@H]1c1ccccc1	ZINC001211661919	801033725	/nfs/dbraw/zinc/03/37/25/801033725.db2.gz	MNRXCBZVANRPDP-JENIJYKNSA-N	1	0	363.465	1.832	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC000975313675	801122394	/nfs/dbraw/zinc/12/23/94/801122394.db2.gz	ATUDUVHDFKTSMT-SZVBFZGTSA-N	1	0	368.481	1.372	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCOCCO)C2)CC1	ZINC001112524646	801520593	/nfs/dbraw/zinc/52/05/93/801520593.db2.gz	ZSGIGOCQMDALJL-PXNSSMCTSA-N	1	0	350.503	1.960	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21	ZINC000975696847	802002299	/nfs/dbraw/zinc/00/22/99/802002299.db2.gz	XYLHDOUTMYHJET-FHWLQOOXSA-N	1	0	357.498	1.724	20	30		FDEDRO
Cc1c(C(=O)N2CC[C@H]3CCN(C(=O)[C@H](C)C#N)[C@H]3C2)ccc2c[nH+]cn21	ZINC000975788885	802331917	/nfs/dbraw/zinc/33/19/17/802331917.db2.gz	ABEHYPNGJSKKCU-XUWXXGDYSA-N	1	0	365.437	1.865	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@@H]21	ZINC000975817450	802463603	/nfs/dbraw/zinc/46/36/03/802463603.db2.gz	RLVALYQUCWZKDV-HFSMHLIXSA-N	1	0	369.509	1.724	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCc1ccc(CC[NH2+][C@@H]2CCNC2=O)cc1	ZINC001027254723	802639262	/nfs/dbraw/zinc/63/92/62/802639262.db2.gz	MAVFICQSCLWNGQ-QRVBRYPASA-N	1	0	371.481	1.305	20	30		FDEDRO
C=CC[C@H]1CCCC[C@H]1[NH2+]CCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC000661116405	802754253	/nfs/dbraw/zinc/75/42/53/802754253.db2.gz	JSXKOXFOKGDLJN-LSDHHAIUSA-N	1	0	359.474	1.548	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@H]2C1	ZINC000975974044	802764629	/nfs/dbraw/zinc/76/46/29/802764629.db2.gz	NJZDNDHJWXVMGG-AYBZRNKSSA-N	1	0	368.481	1.971	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CCN(C(=O)Cc4cnc[nH]4)C[C@@H]32)cc1	ZINC000976095553	802953516	/nfs/dbraw/zinc/95/35/16/802953516.db2.gz	FSWVBAHTMVYZQE-LPHOPBHVSA-N	1	0	362.433	1.697	20	30		FDEDRO
C=CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1	ZINC000661380756	803413858	/nfs/dbraw/zinc/41/38/58/803413858.db2.gz	OZGLRQMKKKQJOX-KGLIPLIRSA-N	1	0	351.472	1.949	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C23CCC[NH+]2CCC3)c1	ZINC000976475442	803430798	/nfs/dbraw/zinc/43/07/98/803430798.db2.gz	QYSTYSYIKURVNZ-HZPDHXFCSA-N	1	0	369.469	1.672	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CC2(F)F)CC1	ZINC000976630503	803642115	/nfs/dbraw/zinc/64/21/15/803642115.db2.gz	ZAGOMNOAHGTKSQ-ARFHVFGLSA-N	1	0	367.440	1.530	20	30		FDEDRO
CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000423153957	814976328	/nfs/dbraw/zinc/97/63/28/814976328.db2.gz	OHBUVRXCTYVDIU-UHFFFAOYSA-N	1	0	372.469	1.371	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]21	ZINC000976919855	804094015	/nfs/dbraw/zinc/09/40/15/804094015.db2.gz	BMFVRPKWAKZSLS-SFWRJULSSA-N	1	0	365.477	1.124	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC(C[NH2+]CC)CC1	ZINC000423180364	814990532	/nfs/dbraw/zinc/99/05/32/814990532.db2.gz	AZJLKDJBZHVSEH-UHFFFAOYSA-N	1	0	368.481	1.921	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1	ZINC000423209972	814993406	/nfs/dbraw/zinc/99/34/06/814993406.db2.gz	GMYUQLUHVKJYMC-DZGCQCFKSA-N	1	0	360.414	1.305	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1	ZINC000423193646	814996790	/nfs/dbraw/zinc/99/67/90/814996790.db2.gz	XPZBZWSEEPVRLN-IPMKNSEASA-N	1	0	355.482	1.830	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1	ZINC000423205565	815000351	/nfs/dbraw/zinc/00/03/51/815000351.db2.gz	CAJGIEUFKAMATD-OKILXGFUSA-N	1	0	360.414	1.318	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1	ZINC000423216389	815005171	/nfs/dbraw/zinc/00/51/71/815005171.db2.gz	PZTKRYMAZNYFQR-GOSISDBHSA-N	1	0	360.414	1.307	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1	ZINC000423252349	815019895	/nfs/dbraw/zinc/01/98/95/815019895.db2.gz	UAEQTKVYSFLVFJ-CRAIPNDOSA-N	1	0	372.469	1.119	20	30		FDEDRO
COC[C@@H](OC)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001112526097	804541964	/nfs/dbraw/zinc/54/19/64/804541964.db2.gz	SDNJHRACAXFRAX-ZVDOUQERSA-N	1	0	371.481	1.938	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@H]21	ZINC000977227779	804612337	/nfs/dbraw/zinc/61/23/37/804612337.db2.gz	SCQREWGTMAOTCN-VMENWCDDSA-N	1	0	361.486	1.025	20	30		FDEDRO
C=CCN(CC1CCCCC1)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1	ZINC000423312919	815033594	/nfs/dbraw/zinc/03/35/94/815033594.db2.gz	SXDHNXMBLQQDHP-GOSISDBHSA-N	1	0	362.518	1.087	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[N@H+](CCN2CCCC2=O)CC1(C)C	ZINC000977320709	804752884	/nfs/dbraw/zinc/75/28/84/804752884.db2.gz	WCPNCRNVNDWDJX-BQFCYCMXSA-N	1	0	363.502	1.417	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H](CNc2ccnc(C#N)n2)C(C)(C)C)CC[N@@H+]1C	ZINC001126130408	804771918	/nfs/dbraw/zinc/77/19/18/804771918.db2.gz	QDOCMBARLPPISH-ZNMIVQPWSA-N	1	0	358.490	1.443	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2(CF)CC2)C[C@H]1c1ccccc1	ZINC001211673307	804800970	/nfs/dbraw/zinc/80/09/70/804800970.db2.gz	BVYUPFYIBBAUEZ-BPQIPLTHSA-N	1	0	371.456	1.458	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]2CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1	ZINC000977799751	804957882	/nfs/dbraw/zinc/95/78/82/804957882.db2.gz	ODBSQWMZWQYXKJ-FHLIZLRMSA-N	1	0	354.454	1.076	20	30		FDEDRO
C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC001027578940	805105105	/nfs/dbraw/zinc/10/51/05/805105105.db2.gz	YGOVSUDLJQZDPE-CEXWTWQISA-N	1	0	368.481	1.883	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCc3cnn(C)c3)C[C@H]21	ZINC000978165383	805231353	/nfs/dbraw/zinc/23/13/53/805231353.db2.gz	HRXIZIYCSSYOEP-QQXKLLMISA-N	1	0	358.486	1.238	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1c1ccccc1	ZINC001211680213	805523433	/nfs/dbraw/zinc/52/34/33/805523433.db2.gz	LPMBAUZCHHHFAL-RBUKOAKNSA-N	1	0	352.438	1.186	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CN(C)CCO2)C1	ZINC001087424046	805549908	/nfs/dbraw/zinc/54/99/08/805549908.db2.gz	GSCQPMIDEMUGTB-AQNXPRMDSA-N	1	0	357.498	1.867	20	30		FDEDRO
C=C1CCC(C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)CC1	ZINC000980424653	807003525	/nfs/dbraw/zinc/00/35/25/807003525.db2.gz	RPLKEFTYUNCCRH-JOCBIADPSA-N	1	0	363.502	1.463	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCOC2)C[C@H]1c1ccccc1	ZINC001211696571	807205318	/nfs/dbraw/zinc/20/53/18/807205318.db2.gz	KGYJOJAYHAORHK-ZVDOUQERSA-N	1	0	356.466	1.647	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCOC2)C[C@H]1c1ccccc1	ZINC001211696635	807218930	/nfs/dbraw/zinc/21/89/30/807218930.db2.gz	LRXHFJAIJOEDEA-UEXGIBASSA-N	1	0	371.481	1.299	20	30		FDEDRO
C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)CC1	ZINC000423558054	815115566	/nfs/dbraw/zinc/11/55/66/815115566.db2.gz	MINPIXWMRXAJHJ-RDTXWAMCSA-N	1	0	370.453	1.044	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCCC)C1	ZINC001112532639	807463822	/nfs/dbraw/zinc/46/38/22/807463822.db2.gz	OAFGYEKJYJGJCD-CLWJZODNSA-N	1	0	363.502	1.322	20	30		FDEDRO
N#Cc1cccc([C@@H]2CN(C(=O)C(=O)N3CCC[C@H](CC[NH3+])C3)CCO2)c1	ZINC000423549355	815128562	/nfs/dbraw/zinc/12/85/62/815128562.db2.gz	DDCWNZNRYOGWEH-QAPCUYQASA-N	1	0	370.453	1.046	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CCCN(C(=O)[C@]34C[C@H]3COC4)CC2)cc1	ZINC000981202986	807713246	/nfs/dbraw/zinc/71/32/46/807713246.db2.gz	OSLZFKPUKIFGRV-PXNSSMCTSA-N	1	0	355.438	1.660	20	30		FDEDRO
CC#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CCC(=O)N2C)C1	ZINC001087433905	807755984	/nfs/dbraw/zinc/75/59/84/807755984.db2.gz	LXSJUBZAZSVQKZ-XUVXKRRUSA-N	1	0	367.493	1.995	20	30		FDEDRO
CC[NH+]1CCN(CCCNC(=O)c2cc(-c3cccc(C#N)c3)no2)CC1	ZINC000278959387	807919895	/nfs/dbraw/zinc/91/98/95/807919895.db2.gz	HIFPIKLSKCGJBH-UHFFFAOYSA-N	1	0	367.453	1.971	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC000981465838	808053639	/nfs/dbraw/zinc/05/36/39/808053639.db2.gz	XUNZWDLBURNCIZ-BZZMCLGOSA-N	1	0	368.481	1.418	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)C3(C4CC4)CC3)C2)CC1	ZINC000981544868	808116273	/nfs/dbraw/zinc/11/62/73/808116273.db2.gz	SPWIFVHJQHAUNK-QFBILLFUSA-N	1	0	371.525	1.923	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1	ZINC000981549256	808134162	/nfs/dbraw/zinc/13/41/62/808134162.db2.gz	WGBRPCBXEJFTDF-DAYGRLMNSA-N	1	0	371.485	1.775	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)CCOCc1ccc(C#N)cc1	ZINC000423701854	815200970	/nfs/dbraw/zinc/20/09/70/815200970.db2.gz	XIKPHCBEQPFVNS-QAPCUYQASA-N	1	0	372.469	1.262	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COCc2nncn2C)C[C@H]1c1ccccc1	ZINC001211700826	808488474	/nfs/dbraw/zinc/48/84/74/808488474.db2.gz	XIKBZEIVPSCNCI-ZWKOTPCHSA-N	1	0	369.469	1.492	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)nc1	ZINC000981844882	808611117	/nfs/dbraw/zinc/61/11/17/808611117.db2.gz	YNCQQDIGRRQKRP-SCTDSRPQSA-N	1	0	368.481	1.562	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cnc(C)s4)[C@@H]3C2)C1=O	ZINC001075602803	808779406	/nfs/dbraw/zinc/77/94/06/808779406.db2.gz	OGCFXHGFMSBXBS-RRFJBIMHSA-N	1	0	360.483	1.385	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CCOC)CC[C@@H]2c2ccccc2)nn1	ZINC001087439158	809074827	/nfs/dbraw/zinc/07/48/27/809074827.db2.gz	HXJLIPOENSKWSK-QZTJIDSGSA-N	1	0	369.469	1.698	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@H](C)O)CC[C@@H]2c2ccccc2)nn1	ZINC001087439375	809079542	/nfs/dbraw/zinc/07/95/42/809079542.db2.gz	UMAYOJGGEOUYCM-CGTJXYLNSA-N	1	0	369.469	1.433	20	30		FDEDRO
C[C@H]([NH3+])[C@H](C)NC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N	ZINC000418692005	809136098	/nfs/dbraw/zinc/13/60/98/809136098.db2.gz	FGSHPRHCXATUMC-RYUDHWBXSA-N	1	0	373.436	1.433	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(N)=O)C2)CCOCC1	ZINC001211715623	809142167	/nfs/dbraw/zinc/14/21/67/809142167.db2.gz	GCCDIUDOFQXUNS-ZWKOTPCHSA-N	1	0	371.481	1.429	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCC[C@@H]1CCC[NH2+]1	ZINC000418781760	809210047	/nfs/dbraw/zinc/21/00/47/809210047.db2.gz	ZNTOUNWAFTVING-CABCVRRESA-N	1	0	357.462	1.101	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCC[C@@H]1CCC[NH2+]1	ZINC000418781766	809210138	/nfs/dbraw/zinc/21/01/38/809210138.db2.gz	ZNTOUNWAFTVING-GJZGRUSLSA-N	1	0	357.462	1.101	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CN2CCCCCC2=O)C[C@H]1c1ccccc1	ZINC001211718649	809223796	/nfs/dbraw/zinc/22/37/96/809223796.db2.gz	ZMILEPIRCSZOFV-VQTJNVASSA-N	1	0	367.493	1.997	20	30		FDEDRO
C[C@H]1CCN(C(=O)C(=O)NCCSCc2ccccc2C#N)C[C@@H]1C[NH3+]	ZINC000418922267	809316874	/nfs/dbraw/zinc/31/68/74/809316874.db2.gz	MSHNAPLRWSNFPR-YOEHRIQHSA-N	1	0	374.510	1.351	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C(=O)NCCSCc2ccccc2C#N)C[C@@H]1C[NH3+]	ZINC000418922264	809316996	/nfs/dbraw/zinc/31/69/96/809316996.db2.gz	MSHNAPLRWSNFPR-PBHICJAKSA-N	1	0	374.510	1.351	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N2CCCC2=O)C[C@H]1c1ccccc1	ZINC001211723978	809330733	/nfs/dbraw/zinc/33/07/33/809330733.db2.gz	FGWHZBBVZDHGSJ-XUVXKRRUSA-N	1	0	367.493	1.995	20	30		FDEDRO
CCC1(CNC(=[NH+]C)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)CCCC1	ZINC000261663148	809336799	/nfs/dbraw/zinc/33/67/99/809336799.db2.gz	BDCMQJDXCXVFFJ-SFHVURJKSA-N	1	0	363.506	1.842	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N2CCCC2=O)C[C@H]1c1ccccc1	ZINC001211724140	809340384	/nfs/dbraw/zinc/34/03/84/809340384.db2.gz	OKYWGFXYGYRBPS-ZCNNSNEGSA-N	1	0	367.493	1.995	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CNC(=O)C2CCC2)C[C@H]1c1ccccc1	ZINC001211726380	809408261	/nfs/dbraw/zinc/40/82/61/809408261.db2.gz	XTHBVRMVIKYRQU-RBUKOAKNSA-N	1	0	353.466	1.510	20	30		FDEDRO
CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000419110112	809570691	/nfs/dbraw/zinc/57/06/91/809570691.db2.gz	ICKKTLLMFMMPAH-OAHLLOKOSA-N	1	0	369.387	1.663	20	30		FDEDRO
COc1ccc(C(=O)N2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)cc1OC	ZINC000424061758	815307118	/nfs/dbraw/zinc/30/71/18/815307118.db2.gz	GBFMUFDUOCYTQU-OAHLLOKOSA-N	1	0	374.441	1.009	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CCCN4CCCC4=O)C[C@H]32)[nH]1	ZINC001075697700	815312763	/nfs/dbraw/zinc/31/27/63/815312763.db2.gz	HCBSALLTRSQASE-WMLDXEAASA-N	1	0	355.442	1.045	20	30		FDEDRO
C=CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000424138784	815316098	/nfs/dbraw/zinc/31/60/98/815316098.db2.gz	MWZYQBGMTOCKOZ-WMLDXEAASA-N	1	0	353.430	1.759	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C2CN(C(C)=O)C2)C1	ZINC001087455025	810055168	/nfs/dbraw/zinc/05/51/68/810055168.db2.gz	WWVFVVRFKBIABL-RTBURBONSA-N	1	0	359.445	1.764	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cn(C)nn2)C1	ZINC001087455385	810063143	/nfs/dbraw/zinc/06/31/43/810063143.db2.gz	RUSPVMMQWTYJPM-IAGOWNOFSA-N	1	0	355.417	1.565	20	30		FDEDRO
N#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1	ZINC001087455460	810063604	/nfs/dbraw/zinc/06/36/04/810063604.db2.gz	WZKRBJWSWOXXBT-VAMGGRTRSA-N	1	0	370.472	1.965	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2c3c(ccc2OC)CCC3)CC1	ZINC000411260131	810089130	/nfs/dbraw/zinc/08/91/30/810089130.db2.gz	OFLYGARIKVUQQR-UHFFFAOYSA-N	1	0	357.454	1.889	20	30		FDEDRO
O=C(NCC#C[C@H]1CCCCO1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1	ZINC000894111002	810096906	/nfs/dbraw/zinc/09/69/06/810096906.db2.gz	WNYAXDSLPOKGSJ-VQTJNVASSA-N	1	0	371.481	1.625	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cc4cc[nH]n4)[C@@H]3C2)cc1C#N	ZINC001075640036	810103015	/nfs/dbraw/zinc/10/30/15/810103015.db2.gz	QQHKMOJMBPPGRY-MAUKXSAKSA-N	1	0	365.437	1.565	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccncc4F)[C@@H]3C2)C1=O	ZINC001075641611	810137824	/nfs/dbraw/zinc/13/78/24/810137824.db2.gz	PBIJMGVXADBBFE-RRQGHBQHSA-N	1	0	358.417	1.154	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)S(C)(=O)=O)C[C@H]1C(F)(F)F	ZINC001112122668	810167487	/nfs/dbraw/zinc/16/74/87/810167487.db2.gz	ZYXOFJWGSGUGNH-IJLUTSLNSA-N	1	0	356.410	1.365	20	30		FDEDRO
C=CCN(C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[C@@H](C)COC	ZINC000664050968	810273417	/nfs/dbraw/zinc/27/34/17/810273417.db2.gz	HFHXFDLHEBKNFX-HNNXBMFYSA-N	1	0	354.495	1.162	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000249802679	810280798	/nfs/dbraw/zinc/28/07/98/810280798.db2.gz	ZPKMQOAQUKEAII-IRXDYDNUSA-N	1	0	370.501	1.905	20	30		FDEDRO
N#CCCn1cc(C[NH2+]C[C@@H](O)C2CCOCC2)c(-c2ccncc2)n1	ZINC000433300443	810403452	/nfs/dbraw/zinc/40/34/52/810403452.db2.gz	FEEUEDLJXLHHTA-GOSISDBHSA-N	1	0	355.442	1.736	20	30		FDEDRO
COCC[N@H+](C)CCOc1cccc(CNC(=O)c2cnccc2C#N)c1	ZINC000512949444	810433125	/nfs/dbraw/zinc/43/31/25/810433125.db2.gz	XAWZYPFZXLMOTC-UHFFFAOYSA-N	1	0	368.437	1.840	20	30		FDEDRO
CC[NH+]=C(NCCn1ccnc1)N1CCN(c2cc(F)ccc2F)CC1	ZINC000261738345	810555275	/nfs/dbraw/zinc/55/52/75/810555275.db2.gz	MEFSMANKFKUOCV-UHFFFAOYSA-N	1	0	362.428	1.949	20	30		FDEDRO
CNC(=O)CC1CCN(C(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)=[NH+]C)CC1	ZINC000261738213	810555353	/nfs/dbraw/zinc/55/53/53/810555353.db2.gz	KITCPTDVLXNRSQ-JQHSSLGASA-N	1	0	362.518	1.758	20	30		FDEDRO
CNC(=O)CC1CCN(C(N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)=[NH+]C)CC1	ZINC000261738209	810555457	/nfs/dbraw/zinc/55/54/57/810555457.db2.gz	KITCPTDVLXNRSQ-CGTJXYLNSA-N	1	0	362.518	1.758	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@]2(C)C[N@@H+](CC(=O)NC)C[C@]2(C)C1	ZINC000982629654	810605850	/nfs/dbraw/zinc/60/58/50/810605850.db2.gz	DCOUABFMWXKPQO-LWCVALJOSA-N	1	0	363.502	1.274	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)C[C@@]2(C)C1	ZINC000982642713	810678802	/nfs/dbraw/zinc/67/88/02/810678802.db2.gz	UTRFOYCGRFLYMU-UKAVVXHISA-N	1	0	370.497	1.482	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H](CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)c1	ZINC000983273632	815394375	/nfs/dbraw/zinc/39/43/75/815394375.db2.gz	QHWNTUGOCHYZCI-YTQUADARSA-N	1	0	368.481	1.372	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CCc3ccc(Cl)cc3)C[C@@H]2O)c1	ZINC001083392610	811208640	/nfs/dbraw/zinc/20/86/40/811208640.db2.gz	QWOITJVPKQSPEF-SJORKVTESA-N	1	0	358.829	1.557	20	30		FDEDRO
C[NH+]=C(NCC(=O)Nc1ccccc1)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000261787623	811241718	/nfs/dbraw/zinc/24/17/18/811241718.db2.gz	FYSXPCSUTYBESH-UHFFFAOYSA-N	1	0	359.474	1.532	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCN(c2ncccn2)CC1	ZINC000261607963	811284378	/nfs/dbraw/zinc/28/43/78/811284378.db2.gz	DYNOBJHMBGPFOW-XHSDSOJGSA-N	1	0	356.474	1.132	20	30		FDEDRO
C[NH+]=C(NCc1cn2ccccc2n1)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000261763305	811314769	/nfs/dbraw/zinc/31/47/69/811314769.db2.gz	OMROQUJJHJDSQK-INIZCTEOSA-N	1	0	356.474	1.064	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N1CCO[C@@H](c2cnn(C)c2)C1	ZINC000261792884	811320814	/nfs/dbraw/zinc/32/08/14/811320814.db2.gz	QPZUEMPOUCWDKW-NMLBUPMWSA-N	1	0	365.481	1.955	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCCCC2)N1CC[C@H](Oc2ccccn2)C1	ZINC000262009943	811366565	/nfs/dbraw/zinc/36/65/65/811366565.db2.gz	WIMBGNGLXWJPKC-HNNXBMFYSA-N	1	0	369.473	1.628	20	30		FDEDRO
N#CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1	ZINC001087464747	811388412	/nfs/dbraw/zinc/38/84/12/811388412.db2.gz	AGLHDSKALIPLFZ-VAMGGRTRSA-N	1	0	370.472	1.965	20	30		FDEDRO
CN(C)C(=O)C[NH+]=C(NCc1ccnn1C)N[C@@H]1CCc2ccccc2C1	ZINC000262320519	811441481	/nfs/dbraw/zinc/44/14/81/811441481.db2.gz	RUZKAYFGTPHCSB-QGZVFWFLSA-N	1	0	368.485	1.101	20	30		FDEDRO
C[NH+]=C(NCc1nncn1-c1ccccc1)N1CC[C@H](c2cnn(C)c2)C1	ZINC000262457181	811472343	/nfs/dbraw/zinc/47/23/43/811472343.db2.gz	LMCIINXBNYSUIM-HNNXBMFYSA-N	1	0	364.457	1.566	20	30		FDEDRO
[NH2+]=C(NCc1cccc(N2CC=CC2)c1)N1CCN(c2ncccn2)CC1	ZINC000262521819	811482399	/nfs/dbraw/zinc/48/23/99/811482399.db2.gz	IUEFCUJHCXEDEK-UHFFFAOYSA-N	1	0	363.469	1.490	20	30		FDEDRO
C[NH+]=C(NCc1cc(N(C)C)nc2ccccc12)N1CCN(C(C)=O)CC1	ZINC000262768480	811549288	/nfs/dbraw/zinc/54/92/88/811549288.db2.gz	GRNXAGFWXFEZEF-UHFFFAOYSA-N	1	0	368.485	1.540	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)O1	ZINC001028629125	811651996	/nfs/dbraw/zinc/65/19/96/811651996.db2.gz	GYYRBKZOYSLABX-YZGWKJHDSA-N	1	0	355.482	1.195	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)CC1	ZINC000280520741	811845003	/nfs/dbraw/zinc/84/50/03/811845003.db2.gz	MPMZOEPVFFHWNS-UHFFFAOYSA-N	1	0	357.458	1.838	20	30		FDEDRO
N#Cc1c(C#N)c(N2CCC[N@@H+](CCO)CC2)nc2c1CCCCCC2	ZINC000280644674	811882524	/nfs/dbraw/zinc/88/25/24/811882524.db2.gz	DRPYZRBNDXXPAV-UHFFFAOYSA-N	1	0	353.470	1.988	20	30		FDEDRO
O=C(NCC#Cc1cccc(F)c1)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1	ZINC000419680404	812089294	/nfs/dbraw/zinc/08/92/94/812089294.db2.gz	RVJFRRNCBHCTJW-GOSISDBHSA-N	1	0	357.429	1.284	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]C3)CC2)cc1	ZINC000419870184	812267249	/nfs/dbraw/zinc/26/72/49/812267249.db2.gz	WRFREJCPSHKNAR-INIZCTEOSA-N	1	0	370.453	1.044	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)NCC[C@H]1CCC[NH2+]1	ZINC000419943798	812308749	/nfs/dbraw/zinc/30/87/49/812308749.db2.gz	HUPWYNNYFAXCLY-KZNAEPCWSA-N	1	0	354.454	1.543	20	30		FDEDRO
C[C@@H](C[NH3+])NC(=O)C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	ZINC000420020636	813398309	/nfs/dbraw/zinc/39/83/09/813398309.db2.gz	GCTRRNRZDCUDKY-AWEZNQCLSA-N	1	0	368.412	1.690	20	30		FDEDRO
C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(Cc1ccc(C#N)cc1)C1CC1	ZINC000420044796	813422635	/nfs/dbraw/zinc/42/26/35/813422635.db2.gz	UEQZVSQGYKTEFF-SUMWQHHRSA-N	1	0	370.453	1.278	20	30		FDEDRO
C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1	ZINC000420105509	813461043	/nfs/dbraw/zinc/46/10/43/813461043.db2.gz	SOEASCUUZBIPCY-RDTXWAMCSA-N	1	0	352.438	1.288	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1	ZINC000420106306	813461472	/nfs/dbraw/zinc/46/14/72/813461472.db2.gz	RMUFJXGOLYKIHU-HXUWFJFHSA-N	1	0	356.470	1.803	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1	ZINC000420117455	813475367	/nfs/dbraw/zinc/47/53/67/813475367.db2.gz	LUVLDFWQZREGCW-RDTXWAMCSA-N	1	0	352.438	1.288	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C	ZINC000420144498	813505289	/nfs/dbraw/zinc/50/52/89/813505289.db2.gz	LMIGQXHGLWYPTE-CZUORRHYSA-N	1	0	360.414	1.366	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1	ZINC000501598088	813545323	/nfs/dbraw/zinc/54/53/23/813545323.db2.gz	MIBSVAZSTRCJSQ-SQNIBIBYSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCn1c(C)cc(C(=O)CN2CCC[C@H](N3CCNCC3=O)C2)c1C	ZINC000420315272	813604080	/nfs/dbraw/zinc/60/40/80/813604080.db2.gz	WVCKGHWATQIBFN-KRWDZBQOSA-N	1	0	358.486	1.370	20	30		FDEDRO
C=CCn1c(C)cc(C(=O)CN2CCC[C@@H](N3CCNCC3=O)C2)c1C	ZINC000420315580	813604181	/nfs/dbraw/zinc/60/41/81/813604181.db2.gz	WVCKGHWATQIBFN-QGZVFWFLSA-N	1	0	358.486	1.370	20	30		FDEDRO
COC(=O)c1ccc(N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)c(C#N)n1	ZINC001167944072	813725295	/nfs/dbraw/zinc/72/52/95/813725295.db2.gz	XKUSBXNTBGUJGG-ZDUSSCGKSA-N	1	0	362.430	1.991	20	30		FDEDRO
Cn1cnc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(OCC#N)cc4)C[C@H]32)c1	ZINC001075686098	813852022	/nfs/dbraw/zinc/85/20/22/813852022.db2.gz	DDOBOCCDUGKETC-QFBILLFUSA-N	1	0	365.437	1.669	20	30		FDEDRO
CC(C)(CC#N)CNC(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1	ZINC000421527045	814199064	/nfs/dbraw/zinc/19/90/64/814199064.db2.gz	IDRFSXJMRFVILR-UHFFFAOYSA-N	1	0	356.470	1.607	20	30		FDEDRO
CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NCCc2cccc(C#N)c2)C1	ZINC000502770478	814262105	/nfs/dbraw/zinc/26/21/05/814262105.db2.gz	PDBXHCUTQGKMNR-OALUTQOASA-N	1	0	356.470	1.995	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000983068205	814300909	/nfs/dbraw/zinc/30/09/09/814300909.db2.gz	VSFJTBNBZXHPSJ-FUHIMQAGSA-N	1	0	367.493	1.515	20	30		FDEDRO
CO[C@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000271927570	814516935	/nfs/dbraw/zinc/51/69/35/814516935.db2.gz	LMWFXXYMBYFHST-ROUUACIJSA-N	1	0	360.433	1.255	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000271933215	814518853	/nfs/dbraw/zinc/51/88/53/814518853.db2.gz	LXDZALJVDRPTSB-GOSISDBHSA-N	1	0	368.481	1.914	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cccc(OCCCC#N)c3)[C@@H]2C1	ZINC000272346027	814665237	/nfs/dbraw/zinc/66/52/37/814665237.db2.gz	PVGBJHJSUBXCSW-MAUKXSAKSA-N	1	0	370.453	1.860	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)N2CCC(C)(C#N)CC2)CC1	ZINC000272582345	814760165	/nfs/dbraw/zinc/76/01/65/814760165.db2.gz	PVMZFIKPPWXFCC-UHFFFAOYSA-N	1	0	356.474	1.669	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CCC(C)(C#N)CC2)c1	ZINC000272645679	814770887	/nfs/dbraw/zinc/77/08/87/814770887.db2.gz	ZYPBLZCIIMOUQY-UHFFFAOYSA-N	1	0	371.485	1.813	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](OCC)C1	ZINC000983133625	814801064	/nfs/dbraw/zinc/80/10/64/814801064.db2.gz	WOVFEUZCJRVTHK-IXDOHACOSA-N	1	0	365.518	1.663	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)c1	ZINC001028709906	814832207	/nfs/dbraw/zinc/83/22/07/814832207.db2.gz	PNXZOBCFPMRDBM-LWYYNNOASA-N	1	0	369.465	1.548	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1	ZINC001028710796	814833679	/nfs/dbraw/zinc/83/36/79/814833679.db2.gz	ZYVQHHNAGXTGSM-MVJPYGJCSA-N	1	0	369.465	1.548	20	30		FDEDRO
C[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21)n1cncn1	ZINC001075705714	815663848	/nfs/dbraw/zinc/66/38/48/815663848.db2.gz	VQKIWUWKTCVZQF-FHLIZLRMSA-N	1	0	350.426	1.444	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCn2c(C)csc2=O)C1	ZINC001028812703	815816143	/nfs/dbraw/zinc/81/61/43/815816143.db2.gz	LPVGMYULGCIGMP-OAGGEKHMSA-N	1	0	365.499	1.247	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCC(=O)N1	ZINC000434879421	815828674	/nfs/dbraw/zinc/82/86/74/815828674.db2.gz	XICBQSVXGJBGDN-KRWDZBQOSA-N	1	0	357.458	1.300	20	30		FDEDRO
Cn1ncc2c1ncnc2N1CC[NH+](CCCC2(C#N)CCOCC2)CC1	ZINC000282145977	815842632	/nfs/dbraw/zinc/84/26/32/815842632.db2.gz	ZZHFWBNCOSPDJO-UHFFFAOYSA-N	1	0	369.473	1.586	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NCC(F)(F)F	ZINC001167957671	815913511	/nfs/dbraw/zinc/91/35/11/815913511.db2.gz	ZZVIPSZXZHOSAS-JSGCOSHPSA-N	1	0	365.396	1.132	20	30		FDEDRO
COC(=O)c1ccc(N2CCC(C[NH+]3CCN(C)CC3)CC2)c(C#N)n1	ZINC000514739818	815952400	/nfs/dbraw/zinc/95/24/00/815952400.db2.gz	XYJWHQQYLVCKJS-UHFFFAOYSA-N	1	0	357.458	1.204	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1	ZINC000425381840	816046110	/nfs/dbraw/zinc/04/61/10/816046110.db2.gz	HMWUIAVPFXGXLT-FOIQADDNSA-N	1	0	354.454	1.632	20	30		FDEDRO
C[NH+](C)CCOC1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1	ZINC000435652258	816133051	/nfs/dbraw/zinc/13/30/51/816133051.db2.gz	BCCYXCSRBBSNGB-UHFFFAOYSA-N	1	0	362.405	1.205	20	30		FDEDRO
COc1ccc2c(c1)OC[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)C2	ZINC000515467252	816278094	/nfs/dbraw/zinc/27/80/94/816278094.db2.gz	VKFPMRYQMDQFHB-SJORKVTESA-N	1	0	354.406	1.900	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)c1	ZINC000425547615	816514019	/nfs/dbraw/zinc/51/40/19/816514019.db2.gz	SWPUACQGGCWHJA-FQEVSTJZSA-N	1	0	371.481	1.722	20	30		FDEDRO
Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)c(OCC[NH+](C)C)c1	ZINC000425803682	817080530	/nfs/dbraw/zinc/08/05/30/817080530.db2.gz	LRQAIAAIHYWLIQ-LSDHHAIUSA-N	1	0	358.442	1.682	20	30		FDEDRO
C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[C@H](C#N)C1	ZINC000425851722	817227972	/nfs/dbraw/zinc/22/79/72/817227972.db2.gz	ULWWHVUEVQOXRK-KSZLIROESA-N	1	0	371.485	1.267	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1	ZINC000425891239	817313941	/nfs/dbraw/zinc/31/39/41/817313941.db2.gz	XWWIFZAWOCVNBM-ZWKOTPCHSA-N	1	0	373.522	1.755	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC1CC[NH+](CCC(C)C)CC1	ZINC000425896625	817334714	/nfs/dbraw/zinc/33/47/14/817334714.db2.gz	YLWKWSTYSDZYSL-ROUUACIJSA-N	1	0	365.518	1.568	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2	ZINC000517387690	817420985	/nfs/dbraw/zinc/42/09/85/817420985.db2.gz	IPBFNIUZMJJFGS-OAHLLOKOSA-N	1	0	359.426	1.160	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCN(c2cc[nH+]cc2OC)CC1	ZINC000437986027	817424499	/nfs/dbraw/zinc/42/44/99/817424499.db2.gz	NAOHSRGXYDTOQW-MAUKXSAKSA-N	1	0	360.458	1.903	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCN(C)CC2)C1	ZINC000366682830	817439942	/nfs/dbraw/zinc/43/99/42/817439942.db2.gz	ZLNKPPWMSXEMHC-QYZOEREBSA-N	1	0	364.534	1.637	20	30		FDEDRO
C[C@H]1CN(Cc2cnc3c(C#N)cnn3c2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000517936921	817641541	/nfs/dbraw/zinc/64/15/41/817641541.db2.gz	BTZIVLVGZAWWEY-YJBOKZPZSA-N	1	0	353.474	1.059	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc[nH]c4CC)[C@@H]3C2)C1=O	ZINC001075756225	817904559	/nfs/dbraw/zinc/90/45/59/817904559.db2.gz	RGPZGDZLFYYWIA-JCGIZDLHSA-N	1	0	356.470	1.510	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)CN2CCCC2=O)C1	ZINC001087472402	818159440	/nfs/dbraw/zinc/15/94/40/818159440.db2.gz	CAWSINWIHRKFMH-OALUTQOASA-N	1	0	371.481	1.778	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2nonc2C)C1	ZINC001087476893	818392229	/nfs/dbraw/zinc/39/22/29/818392229.db2.gz	LGBXFDRFDNTNAU-ROUUACIJSA-N	1	0	368.437	1.998	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CCC[N@@H+]2C)nc1	ZINC000983676498	818523061	/nfs/dbraw/zinc/52/30/61/818523061.db2.gz	VIHSDKUSNMGRBY-AYBZRNKSSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]Cc2nnc(C)[nH]2)CC1	ZINC001029100737	818579596	/nfs/dbraw/zinc/57/95/96/818579596.db2.gz	DTAYQQUESKWMTM-XYPHTWIQSA-N	1	0	361.490	1.811	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@]23C[C@H]2COC3)C1	ZINC000983718296	818678406	/nfs/dbraw/zinc/67/84/06/818678406.db2.gz	SFVDLCAJMNXDFV-VERUCKTNSA-N	1	0	355.438	1.588	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]Cc1nc(C2CC2)nn1C	ZINC001167985194	818722844	/nfs/dbraw/zinc/72/28/44/818722844.db2.gz	BUUYEIGNHIMAFN-RDJZCZTQSA-N	1	0	361.490	1.660	20	30		FDEDRO
COc1ccc(CN2C[C@@H]3CCN(C(=O)c4n[nH]cc4C)[C@@H]3C2)cc1C#N	ZINC001075773061	819143616	/nfs/dbraw/zinc/14/36/16/819143616.db2.gz	LYQRABVUUHECIJ-DOTOQJQBSA-N	1	0	365.437	1.945	20	30		FDEDRO
COc1cc(OC)c2ncc(C#N)c(N3CC[C@](O)(C[NH+](C)C)C3)c2c1	ZINC000895009552	819460570	/nfs/dbraw/zinc/46/05/70/819460570.db2.gz	BTUNMSZGHWXMSP-IBGZPJMESA-N	1	0	356.426	1.626	20	30		FDEDRO
Cn1cc([C@@H]2CN(CC(=O)N[C@@H]3CCOc4ccccc43)C[C@H]2CO)cn1	ZINC000328609652	819517988	/nfs/dbraw/zinc/51/79/88/819517988.db2.gz	MYOSBTJIAYXYFY-RYQLBKOJSA-N	1	0	370.453	1.908	20	30		FDEDRO
C[C@@H]1CN(CC(=O)NC[C@@H]2Cc3ccccc3O2)CC[N@@H+]1CC(C)(C)O	ZINC000328600478	819529289	/nfs/dbraw/zinc/52/92/89/819529289.db2.gz	DARLROYHSBXZCY-WBVHZDCISA-N	1	0	361.486	1.724	20	30		FDEDRO
C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2C[C@@H]3COC[C@H](C2)O3)CC1	ZINC000328737883	819541447	/nfs/dbraw/zinc/54/14/47/819541447.db2.gz	LYBDNFIEXKZIAU-JCGIZDLHSA-N	1	0	360.458	1.621	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)N1CCC(OCCO)CC1	ZINC000328812483	819552167	/nfs/dbraw/zinc/55/21/67/819552167.db2.gz	NBZXUBUOUGOHJU-QZTJIDSGSA-N	1	0	369.506	1.142	20	30		FDEDRO
Cc1noc([C@@H]2CN(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CCN2C)n1	ZINC000328943902	819584817	/nfs/dbraw/zinc/58/48/17/819584817.db2.gz	FYLSGFFYDHPQQI-AWEZNQCLSA-N	1	0	364.494	1.890	20	30		FDEDRO
Cc1noc([C@@H]2CN(CC(=O)NC3CC[NH+](C(C)C)CC3)CCN2C)n1	ZINC000328959813	819599321	/nfs/dbraw/zinc/59/93/21/819599321.db2.gz	QBJVULOPVMQFFL-INIZCTEOSA-N	1	0	364.494	1.496	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)C1	ZINC000328971950	819603395	/nfs/dbraw/zinc/60/33/95/819603395.db2.gz	BQTFQFOXOXSYTD-BBWFWOEESA-N	1	0	365.522	1.959	20	30		FDEDRO
CC(C)(C)[NH+]1CCC(NC(=O)N2CCC(C(=O)NCCCO)CC2)CC1	ZINC000330474077	819616399	/nfs/dbraw/zinc/61/63/99/819616399.db2.gz	QZQHNUNQBMCFSG-UHFFFAOYSA-N	1	0	368.522	1.374	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)[C@H]1CCCN(c2cccnn2)C1	ZINC000330642732	819626923	/nfs/dbraw/zinc/62/69/23/819626923.db2.gz	DQBQPUJXGDGDRB-GJYPPUQNSA-N	1	0	358.490	1.820	20	30		FDEDRO
COc1ccc(NC(C)=O)cc1NC(=O)N1CC[NH+](CC(C)(C)O)CC1	ZINC000330645744	819627759	/nfs/dbraw/zinc/62/77/59/819627759.db2.gz	ZBOQLRSBOOPVSF-UHFFFAOYSA-N	1	0	364.446	1.588	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)c2ccco2)CC1	ZINC000983850449	819784445	/nfs/dbraw/zinc/78/44/45/819784445.db2.gz	DUGLMARXPNBPMS-AEFFLSMTSA-N	1	0	371.481	1.982	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2CN(CCOC3CCCCCC3)C[C@@H]2O)[nH]1	ZINC001083413527	820019030	/nfs/dbraw/zinc/01/90/30/820019030.db2.gz	SJVPQBZJTTVZBZ-MSOLQXFVSA-N	1	0	360.458	1.401	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCC4)C[C@@H]2O)c[nH]1	ZINC001083414805	820213180	/nfs/dbraw/zinc/21/31/80/820213180.db2.gz	WLGUKYSOFUZQAM-MOPGFXCFSA-N	1	0	350.422	1.350	20	30		FDEDRO
CC#CC[C@@H](CO)[NH2+]C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1	ZINC000895098098	820298951	/nfs/dbraw/zinc/29/89/51/820298951.db2.gz	JJUOXSGDMVTUOK-HOTGVXAUSA-N	1	0	367.490	1.114	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000441732311	820428239	/nfs/dbraw/zinc/42/82/39/820428239.db2.gz	SGEYTAQYUOHIEM-ZWKOTPCHSA-N	1	0	370.453	1.299	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cncc(F)c3)[C@H]2CC)C1=O	ZINC001087539830	821066343	/nfs/dbraw/zinc/06/63/43/821066343.db2.gz	OIXZAHDIOAYSIZ-BBWFWOEESA-N	1	0	360.433	1.590	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C(=O)N(C)C)ccc2C)CC1	ZINC000442285336	821120410	/nfs/dbraw/zinc/12/04/10/821120410.db2.gz	QNWXALXAYNIWDN-UHFFFAOYSA-N	1	0	372.469	1.402	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000521204688	821141445	/nfs/dbraw/zinc/14/14/45/821141445.db2.gz	HRKPELKFMVINSG-NMLBUPMWSA-N	1	0	373.497	1.902	20	30		FDEDRO
C[NH+](C)Cc1ccc(CN[C@@H]2CCCN(O)C2=O)c2c1OC(F)(F)O2	ZINC000895157021	821164599	/nfs/dbraw/zinc/16/45/99/821164599.db2.gz	KXKRDMYKGBZJQI-GFCCVEGCSA-N	1	0	357.357	1.540	20	30		FDEDRO
Cc1cc(Cn2nnc(C(=O)N(CCC#N)CCC[NH+](C)C)c2C)no1	ZINC000508404373	821290817	/nfs/dbraw/zinc/29/08/17/821290817.db2.gz	SAOZODYHBCNZCF-UHFFFAOYSA-N	1	0	359.434	1.239	20	30		FDEDRO
C=CCN1CC[C@@H](N2CC[C@H](NC(=O)c3nccc(C)n3)[C@H]2CC)C1=O	ZINC001087558126	821454059	/nfs/dbraw/zinc/45/40/59/821454059.db2.gz	ONCYYSGROAONEJ-ARFHVFGLSA-N	1	0	357.458	1.155	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3nccn3CC)[C@H]2CC)C1=O	ZINC001087558137	821454854	/nfs/dbraw/zinc/45/48/54/821454854.db2.gz	PGMHCACMEBCZNT-ARFHVFGLSA-N	1	0	359.474	1.273	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)[C@@H]1CC	ZINC001087577144	821570257	/nfs/dbraw/zinc/57/02/57/821570257.db2.gz	YEDSWUHKXFICII-HCXYKTFWSA-N	1	0	373.497	1.836	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCNC2=O)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087600478	821682944	/nfs/dbraw/zinc/68/29/44/821682944.db2.gz	WLIRAXSKDIZIHY-CEXWTWQISA-N	1	0	353.466	1.533	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c(C)ncc3C2)C[C@H]1C(F)(F)F	ZINC001112166203	821695660	/nfs/dbraw/zinc/69/56/60/821695660.db2.gz	JHQGRYBFXUSSFQ-FVQBIDKESA-N	1	0	368.403	1.756	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccnc(OC)c2)[C@@H]1CC	ZINC001087607014	821712924	/nfs/dbraw/zinc/71/29/24/821712924.db2.gz	FYFYIVPZNMMNSS-OTWHNJEPSA-N	1	0	370.497	1.657	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc(C4CC4)n[nH]3)[C@H]2CC)C1=O	ZINC001087737063	822282119	/nfs/dbraw/zinc/28/21/19/822282119.db2.gz	AZGOOGQWBSDLCB-BMGDILEWSA-N	1	0	371.485	1.657	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CC3CC(OCC)C3)[C@@H]2CC)nn1	ZINC001087754083	822368800	/nfs/dbraw/zinc/36/88/00/822368800.db2.gz	NJVVYDMBYFYEJE-UNGSAITNSA-N	1	0	361.490	1.862	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cccn3CC)[C@H]2CC)C1=O	ZINC001087831185	822527250	/nfs/dbraw/zinc/52/72/50/822527250.db2.gz	XACWTYWVVPNYQS-LZLYRXPVSA-N	1	0	358.486	1.878	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3cccnc3)[C@H]2CC)CC1	ZINC000984449637	822552382	/nfs/dbraw/zinc/55/23/82/822552382.db2.gz	OPLHWLPEJRDQPG-RBUKOAKNSA-N	1	0	368.481	1.536	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087850863	822600567	/nfs/dbraw/zinc/60/05/67/822600567.db2.gz	YOLGJCMXTWKNJH-YESZJQIVSA-N	1	0	368.437	1.080	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)C3=COCCO3)C[C@@H]2C1	ZINC001087874421	822669591	/nfs/dbraw/zinc/66/95/91/822669591.db2.gz	WYTULYCBTYVQMD-MSOLQXFVSA-N	1	0	353.422	1.727	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4cccn4)C[C@@H]3C2)c(F)c1	ZINC001087884639	822714843	/nfs/dbraw/zinc/71/48/43/822714843.db2.gz	AMOAWZCVJUMCTI-AEFFLSMTSA-N	1	0	367.428	1.874	20	30		FDEDRO
C#CC[NH+]1CCC(Nc2nc(C)ncc2I)CC1	ZINC000895811252	822747836	/nfs/dbraw/zinc/74/78/36/822747836.db2.gz	PGJLQBUHQMZNOY-UHFFFAOYSA-N	1	0	356.211	1.899	20	30		FDEDRO
COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(C#N)ccc1Br	ZINC000895831283	822763094	/nfs/dbraw/zinc/76/30/94/822763094.db2.gz	ABFXKBVONRHKBN-BXUZGUMPSA-N	1	0	353.216	1.988	20	30		FDEDRO
C=C(Br)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2C1	ZINC001087908592	823745669	/nfs/dbraw/zinc/74/56/69/823745669.db2.gz	HAMWKLJIYIDEED-ILXRZTDVSA-N	1	0	356.308	1.770	20	30		FDEDRO
N#Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCC(=O)N4)C[C@@H]3C2)ccc1F	ZINC001087909344	823754803	/nfs/dbraw/zinc/75/48/03/823754803.db2.gz	JEYZXTBXXYKPCP-UWWQBHOKSA-N	1	0	370.428	1.256	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2CCN(Cc3cc(=O)n4ccsc4n3)C[C@H]2C1	ZINC001087911043	823770644	/nfs/dbraw/zinc/77/06/44/823770644.db2.gz	IEWSPZRGWCLCCD-MCIONIFRSA-N	1	0	371.466	1.196	20	30		FDEDRO
C#CC[C@H](CO)[NH2+]Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)o1	ZINC000895965738	823842658	/nfs/dbraw/zinc/84/26/58/823842658.db2.gz	YVULFOIQMKDWID-OAHLLOKOSA-N	1	0	363.458	1.811	20	30		FDEDRO
Cc1c(C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cnn1CCC#N	ZINC000895991302	823867730	/nfs/dbraw/zinc/86/77/30/823867730.db2.gz	OLRINNSWPNAGKD-UHFFFAOYSA-N	1	0	359.474	1.680	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C4CCCC4)C[C@@H]3C2)CC1	ZINC000985613794	828587818	/nfs/dbraw/zinc/58/78/18/828587818.db2.gz	OJBOUMAQMBMFQN-UXHICEINSA-N	1	0	371.525	1.829	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cc4ccc(C)o4)C[C@@H]3C2)C1=O	ZINC001087939467	824020020	/nfs/dbraw/zinc/02/00/20/824020020.db2.gz	VFPSOHLFEAXBTG-ZIFCJYIRSA-N	1	0	371.481	1.698	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4c(C)ccn4C)C[C@@H]3C2)C1=O	ZINC001087947128	824064303	/nfs/dbraw/zinc/06/43/03/824064303.db2.gz	MWZOZWSPCRLAGA-SQNIBIBYSA-N	1	0	370.497	1.514	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)CC[C@@H]3C2)o1	ZINC001087956978	824147646	/nfs/dbraw/zinc/14/76/46/824147646.db2.gz	RVOFMMYWGTUUIT-MSOLQXFVSA-N	1	0	365.437	1.773	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H]2C[N@@H+](Cc3cc(=O)[nH]c(C4CC4)n3)CC[C@@H]2C1	ZINC001087961956	824182669	/nfs/dbraw/zinc/18/26/69/824182669.db2.gz	RGVZJSORCDELCV-SJORKVTESA-N	1	0	366.465	1.753	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCCN(CC(F)F)CC1	ZINC000329085897	824568569	/nfs/dbraw/zinc/56/85/69/824568569.db2.gz	UMMHWYRGABVPQX-CVEARBPZSA-N	1	0	374.476	1.551	20	30		FDEDRO
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)N[C@@H]1CCCc2c1cnn2C	ZINC000329105303	824590231	/nfs/dbraw/zinc/59/02/31/824590231.db2.gz	GZXVKIJBKUCTJV-QGZVFWFLSA-N	1	0	362.522	1.669	20	30		FDEDRO
Cc1nc(Cn2nnc(NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)c2C)no1	ZINC000329126205	824613264	/nfs/dbraw/zinc/61/32/64/824613264.db2.gz	MOSXSQYCTGHVMU-OLZOCXBDSA-N	1	0	360.422	1.279	20	30		FDEDRO
CC1CC[NH+](CCNC(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1	ZINC000329186087	824652628	/nfs/dbraw/zinc/65/26/28/824652628.db2.gz	APGRYKJAATXYGY-KRWDZBQOSA-N	1	0	365.522	1.902	20	30		FDEDRO
CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@H]2CCCn3nc(C)nc32)C1	ZINC000329190038	824659036	/nfs/dbraw/zinc/65/90/36/824659036.db2.gz	PYSDTVKYNAHUGQ-JYJNAYRXSA-N	1	0	362.478	1.521	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccc4c(c3)OCCCO4)CC2)C1=O	ZINC000329201971	824665441	/nfs/dbraw/zinc/66/54/41/824665441.db2.gz	WUFHZTFECAAVKO-MRXNPFEDSA-N	1	0	373.453	1.848	20	30		FDEDRO
C[C@H]1C[N@H+](C)CCN1CC(=O)NCc1ccccc1CN1CCCC1=O	ZINC000329212740	824673067	/nfs/dbraw/zinc/67/30/67/824673067.db2.gz	IGCIROAELBCVRB-INIZCTEOSA-N	1	0	358.486	1.901	20	30		FDEDRO
CN1C(=O)N[C@@]2(CCN(C(=O)NC[C@@H](C3CCCCC3)[NH+](C)C)C2)C1=O	ZINC000329244461	824692447	/nfs/dbraw/zinc/69/24/47/824692447.db2.gz	PWGYQSFPOCZGLC-KBXCAEBGSA-N	1	0	365.478	1.241	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@@H]2c2cccnc2)CC1	ZINC000329244255	824692470	/nfs/dbraw/zinc/69/24/70/824692470.db2.gz	UITJJNKZHKZMQS-MOPGFXCFSA-N	1	0	355.486	1.911	20	30		FDEDRO
O=C(CNC(=O)NCc1ccc(F)cc1)N1CC[C@@H]([NH+]2CCCCC2)C1	ZINC000329261543	824701363	/nfs/dbraw/zinc/70/13/63/824701363.db2.gz	DYLMGHUIEWHVAM-QGZVFWFLSA-N	1	0	362.449	1.916	20	30		FDEDRO
COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C	ZINC000329283459	824714416	/nfs/dbraw/zinc/71/44/16/824714416.db2.gz	NJGZVGPULZKFFY-KKUMJFAQSA-N	1	0	362.478	1.732	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccnc(OC)n2)C1	ZINC001029847318	828683597	/nfs/dbraw/zinc/68/35/97/828683597.db2.gz	QVDISJAJLAUYMQ-OIISXLGYSA-N	1	0	360.458	1.357	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCOC[C@@H]1[C@@H]1CCCO1	ZINC000329431278	824785658	/nfs/dbraw/zinc/78/56/58/824785658.db2.gz	KIZOVUDKQVVHTK-BDXSIMOUSA-N	1	0	367.490	1.158	20	30		FDEDRO
CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000329521072	824851740	/nfs/dbraw/zinc/85/17/40/824851740.db2.gz	FPNSLTGFGINDDE-LQOMEOAXSA-N	1	0	363.502	1.633	20	30		FDEDRO
COCCn1cc2c(n1)[C@H](NC(=O)N1CC[C@@H]3CC[N@H+](C)C[C@@H]31)CCC2	ZINC000329521086	824851931	/nfs/dbraw/zinc/85/19/31/824851931.db2.gz	OTAUPBRVLCIENT-UAGQMJEPSA-N	1	0	361.490	1.847	20	30		FDEDRO
C[N@H+](Cc1ccc(C#N)cc1)C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1	ZINC000985647507	828708992	/nfs/dbraw/zinc/70/89/92/828708992.db2.gz	VLGVZJLVGIERHU-ZWKOTPCHSA-N	1	0	370.453	1.014	20	30		FDEDRO
CN(C)C(=O)C[NH+]=C(NCc1ccn(C)n1)N[C@@H]1CCOc2ccccc21	ZINC000262309054	825050573	/nfs/dbraw/zinc/05/05/73/825050573.db2.gz	PHTAVWQMUNSXHQ-MRXNPFEDSA-N	1	0	370.457	1.067	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3conc3CC)CC[C@@H]2C1	ZINC001087997979	825075547	/nfs/dbraw/zinc/07/55/47/825075547.db2.gz	KNTOQADUESFAJZ-UWVAXJGDSA-N	1	0	370.497	1.615	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3n[nH]cc3C)[C@H]2CC)CC1	ZINC000984856344	825150653	/nfs/dbraw/zinc/15/06/53/825150653.db2.gz	YENGODSQHIUAHQ-DLBZAZTESA-N	1	0	371.485	1.173	20	30		FDEDRO
Cc1ccc([C@@H](CN2CCOCC2)[NH2+]CC(=O)NC2(C#N)CCC2)cc1	ZINC000525893720	828756099	/nfs/dbraw/zinc/75/60/99/828756099.db2.gz	IBDZWBLKVJZJIJ-GOSISDBHSA-N	1	0	356.470	1.520	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC)CC[C@@H]3C2)cc1	ZINC001088016683	825274471	/nfs/dbraw/zinc/27/44/71/825274471.db2.gz	QDHKMJBKIKSBLA-SJORKVTESA-N	1	0	357.454	1.391	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3coc(S(N)(=O)=O)c3)C[C@@H]2C1	ZINC001088017538	825288590	/nfs/dbraw/zinc/28/85/90/825288590.db2.gz	GIJSGZKTRAVFPB-HIFRSBDPSA-N	1	0	367.471	1.287	20	30		FDEDRO
C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O	ZINC000329767467	825437843	/nfs/dbraw/zinc/43/78/43/825437843.db2.gz	ZOMWKQFYYTZIOX-NXHRZFHOSA-N	1	0	371.485	1.655	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cc(=O)n(CC(C)C)[n-]3)C[C@@H]2C1	ZINC001088030593	825446659	/nfs/dbraw/zinc/44/66/59/825446659.db2.gz	XQDXLTVVSBFJNZ-SJORKVTESA-N	1	0	358.486	1.179	20	30		FDEDRO
COc1cc(OC)cc(N2CC[C@H](CNC(=O)[C@H]3CN(C)CCO3)C2)c1	ZINC000329778718	825448929	/nfs/dbraw/zinc/44/89/29/825448929.db2.gz	QJOJZKVTQBAFHI-RDTXWAMCSA-N	1	0	363.458	1.817	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)C[C@H]1C	ZINC000329782119	825450940	/nfs/dbraw/zinc/45/09/40/825450940.db2.gz	NSFQIFGLEPFANI-OWCLPIDISA-N	1	0	366.506	1.221	20	30		FDEDRO
O=C(Nc1cnn(-c2ncccn2)c1)NC1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000329801431	825465690	/nfs/dbraw/zinc/46/56/90/825465690.db2.gz	JONNCZXRRUFWQI-AWEZNQCLSA-N	1	0	371.445	1.489	20	30		FDEDRO
Cc1ccn(C)c(=O)c1NC(=O)N(C)C1CC[NH+](CCn2cccn2)CC1	ZINC000329887325	825524014	/nfs/dbraw/zinc/52/40/14/825524014.db2.gz	XGPOWIHXWVGYBV-UHFFFAOYSA-N	1	0	372.473	1.532	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)CN3C(=O)NC(=O)C3(C)C)CC2)CC1	ZINC000329895711	825526351	/nfs/dbraw/zinc/52/63/51/825526351.db2.gz	KNONPAFIWVOTEW-UHFFFAOYSA-N	1	0	365.478	1.672	20	30		FDEDRO
C[C@H]1CCC[N@H+](CCNC(=O)NC[C@@H]2C[C@H](F)CN2c2cccnn2)C1	ZINC000329907831	825538819	/nfs/dbraw/zinc/53/88/19/825538819.db2.gz	LFBXDAWBBXKRKD-JYJNAYRXSA-N	1	0	364.469	1.629	20	30		FDEDRO
Cc1ccc(N2CCC[C@H](NC([O-])=[NH+]C[C@H]3CCc4nccn4C3)C2)nn1	ZINC000329932121	825549985	/nfs/dbraw/zinc/54/99/85/825549985.db2.gz	AYBOWUOXYWUFBU-CVEARBPZSA-N	1	0	369.473	1.717	20	30		FDEDRO
CCN(CC)C(=O)C1CCN(C(=O)NC[C@@H]2CCc3nccn3C2)CC1	ZINC000329931373	825550038	/nfs/dbraw/zinc/55/00/38/825550038.db2.gz	ARDDIGSOSZEXHE-HNNXBMFYSA-N	1	0	361.490	1.940	20	30		FDEDRO
CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)N1CC[NH+](C2CCOCC2)CC1	ZINC000329940954	825556393	/nfs/dbraw/zinc/55/63/93/825556393.db2.gz	BWUJCYUHWZTXDI-GOSISDBHSA-N	1	0	374.485	1.734	20	30		FDEDRO
O=C(Nc1cnn(-c2ncccn2)c1)N1CC[NH+](C2CCOCC2)CC1	ZINC000330026055	825604876	/nfs/dbraw/zinc/60/48/76/825604876.db2.gz	LCNSXTOUQUJABC-UHFFFAOYSA-N	1	0	357.418	1.004	20	30		FDEDRO
C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCc2c(ncn(C)c2=O)C1	ZINC000330099909	825635792	/nfs/dbraw/zinc/63/57/92/825635792.db2.gz	HOBITCXRPVNZPG-ZNMIVQPWSA-N	1	0	361.490	1.419	20	30		FDEDRO
Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CCCC1	ZINC000330122551	825656228	/nfs/dbraw/zinc/65/62/28/825656228.db2.gz	AFVZHSDVHYHQRB-INIZCTEOSA-N	1	0	373.501	1.961	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)CNC(=O)c3cccnc3)CC2)CC1	ZINC000330155699	825687919	/nfs/dbraw/zinc/68/79/19/825687919.db2.gz	OXDUJJHCSDNJOR-UHFFFAOYSA-N	1	0	359.474	1.901	20	30		FDEDRO
O=C(CN1CCC(Oc2cnccn2)CC1)NC1CC[NH+](C2CC2)CC1	ZINC000330168822	825697856	/nfs/dbraw/zinc/69/78/56/825697856.db2.gz	BCLIJPAHVQYMOF-UHFFFAOYSA-N	1	0	359.474	1.903	20	30		FDEDRO
CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)cn1	ZINC000330182834	825710810	/nfs/dbraw/zinc/71/08/10/825710810.db2.gz	PHVWABIRBNVAHA-CRNXPOROSA-N	1	0	362.478	1.859	20	30		FDEDRO
O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCN(c2cc(C3CC3)[nH]n2)CC1	ZINC000330186451	825711282	/nfs/dbraw/zinc/71/12/82/825711282.db2.gz	JTBHVVBLKUCPMR-NVXWUHKLSA-N	1	0	358.490	1.950	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCN(C)C4=O)CC[C@@H]3C2)cc1	ZINC001088062034	825751735	/nfs/dbraw/zinc/75/17/35/825751735.db2.gz	KENXVPCPASEVQI-CEXWTWQISA-N	1	0	351.450	1.293	20	30		FDEDRO
O=C(CN1CC[NH+](C[C@@H]2CCOC2)CC1)Nc1ccc2c(c1)OCCO2	ZINC000330261659	825777775	/nfs/dbraw/zinc/77/77/75/825777775.db2.gz	PHHCPUDUIZBUFM-HNNXBMFYSA-N	1	0	361.442	1.700	20	30		FDEDRO
C#C[C@H](NC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C(C)C	ZINC000281091675	825872130	/nfs/dbraw/zinc/87/21/30/825872130.db2.gz	PBLRRFZLMDUTRC-OALUTQOASA-N	1	0	370.497	1.841	20	30		FDEDRO
C[C@@H](CNC(=O)c1ccn(-c2cccc(C#N)c2)n1)C[NH+]1CCN(C)CC1	ZINC000281136951	825897222	/nfs/dbraw/zinc/89/72/22/825897222.db2.gz	DLEPONPTQDSRFM-INIZCTEOSA-N	1	0	366.469	1.357	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1	ZINC000330323177	825915887	/nfs/dbraw/zinc/91/58/87/825915887.db2.gz	SVQMKNVYYWCXFL-FRQCXROJSA-N	1	0	367.490	1.424	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC[N@@H+]1CC(C)(C)O	ZINC000281377109	825948485	/nfs/dbraw/zinc/94/84/85/825948485.db2.gz	ZJEHAIYYGLOMDD-QAPCUYQASA-N	1	0	354.454	1.544	20	30		FDEDRO
O=C([C@H]1[C@@H]2COC[C@@H]21)N1C[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)CC[C@@H]2C1	ZINC001088073061	825973775	/nfs/dbraw/zinc/97/37/75/825973775.db2.gz	MGGPYHSPUCEMEV-RKNHFHLDSA-N	1	0	368.452	1.850	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CCN1C(=O)C#CC1CC1	ZINC000984994773	826047629	/nfs/dbraw/zinc/04/76/29/826047629.db2.gz	IROOBBVVDCYJDH-CEXWTWQISA-N	1	0	359.514	1.873	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@@H]1CC	ZINC000985015719	826127657	/nfs/dbraw/zinc/12/76/57/826127657.db2.gz	GTLGREPMWUSFRH-LZLYRXPVSA-N	1	0	358.486	1.878	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@H]3CCN(CCS(C)(=O)=O)C[C@H]3C2)CC1	ZINC001088093298	826354563	/nfs/dbraw/zinc/35/45/63/826354563.db2.gz	RJVDGPZWIZPLDQ-SJORKVTESA-N	1	0	354.516	1.558	20	30		FDEDRO
C[NH+]=C(NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)NC1CC1	ZINC000262404770	826377792	/nfs/dbraw/zinc/37/77/92/826377792.db2.gz	VZYMCEFBZJUXKA-UHFFFAOYSA-N	1	0	355.442	1.883	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NCc2ccc3c(c2)C(=O)NCC3)cc1OC	ZINC000262406019	826392154	/nfs/dbraw/zinc/39/21/54/826392154.db2.gz	WGLLNCUYFCTQQQ-UHFFFAOYSA-N	1	0	354.410	1.917	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3C[N@H+](Cc4nccnc4C)CC[C@@H]3C2)c1	ZINC001088099736	826395743	/nfs/dbraw/zinc/39/57/43/826395743.db2.gz	AHCZLEROUPXQET-MJGOQNOKSA-N	1	0	361.449	1.755	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3C[N@H+](Cc4cnc(C)cn4)CC[C@@H]3C2)c1	ZINC001088099926	826396129	/nfs/dbraw/zinc/39/61/29/826396129.db2.gz	KMMFVQRZBBZNOC-MJGOQNOKSA-N	1	0	361.449	1.755	20	30		FDEDRO
Cn1ncc(C(=O)N2C[C@@H]3C[N@@H+](CC#Cc4ccc(F)cc4)CC[C@@H]3C2)n1	ZINC001088139582	826641432	/nfs/dbraw/zinc/64/14/32/826641432.db2.gz	UJZRZGMLJJXTPH-SJORKVTESA-N	1	0	367.428	1.400	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn4nc(C)cc4[nH]c3=O)C[C@@H]2C1	ZINC001088140363	826653097	/nfs/dbraw/zinc/65/30/97/826653097.db2.gz	IBMNXSUHMWSAHC-CVEARBPZSA-N	1	0	369.469	1.691	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2CC)nc1	ZINC000985210347	826933397	/nfs/dbraw/zinc/93/33/97/826933397.db2.gz	VWRNFAZOBPZLLV-CGTJXYLNSA-N	1	0	354.454	1.266	20	30		FDEDRO
[NH2+]=C(NCc1nnnn1CC1CC1)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000262460351	827012244	/nfs/dbraw/zinc/01/22/44/827012244.db2.gz	XMGFNZGRLVRMEW-UHFFFAOYSA-N	1	0	374.880	1.373	20	30		FDEDRO
N#Cc1cc(Br)cnc1N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO	ZINC000897215910	827172543	/nfs/dbraw/zinc/17/25/43/827172543.db2.gz	DRIRDTPFXWPUBN-ZIAGYGMSSA-N	1	0	351.248	1.751	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO	ZINC000897220968	827184152	/nfs/dbraw/zinc/18/41/52/827184152.db2.gz	ZXRCIHADFSCQSU-HOTGVXAUSA-N	1	0	365.499	1.186	20	30		FDEDRO
N#Cc1ncc(Br)cc1N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO	ZINC000897221322	827185285	/nfs/dbraw/zinc/18/52/85/827185285.db2.gz	LJIYTRVHARQUPM-ZIAGYGMSSA-N	1	0	351.248	1.751	20	30		FDEDRO
C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3c(OC)cc[nH]c3=O)C[C@@H]2C1	ZINC001088171833	827240205	/nfs/dbraw/zinc/24/02/05/827240205.db2.gz	JDYOPLXYDWSDDN-OLZOCXBDSA-N	1	0	351.834	1.942	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@]3(C)CCS(=O)(=O)N3)C[C@@H]2C1	ZINC001088183484	827305107	/nfs/dbraw/zinc/30/51/07/827305107.db2.gz	ITCMRYRSMCDRRK-SOLBZPMBSA-N	1	0	369.531	1.205	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3-n3cnnn3)C[C@@H]2C1	ZINC001088197059	827411502	/nfs/dbraw/zinc/41/15/02/827411502.db2.gz	OXSTUKLSHFIFFM-CVEARBPZSA-N	1	0	352.442	1.632	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4c[nH]cc4C)C[C@@H]3C2)C1=O	ZINC001088199253	827429276	/nfs/dbraw/zinc/42/92/76/827429276.db2.gz	HZNKGBGHRNEVTH-RYRKJORJSA-N	1	0	356.470	1.504	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(CNC(C)=O)c3)C[C@@H]2C1	ZINC001088205947	827464523	/nfs/dbraw/zinc/46/45/23/827464523.db2.gz	VLZGNSVYLLVVHQ-UXHICEINSA-N	1	0	353.466	1.740	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1	ZINC000909578574	827528486	/nfs/dbraw/zinc/52/84/86/827528486.db2.gz	ZGPFZHJCDMPJSI-HNNXBMFYSA-N	1	0	355.479	1.637	20	30		FDEDRO
C[C@@H](C(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@H]1C)[NH+]1CCCCCC1	ZINC000987541676	833210921	/nfs/dbraw/zinc/21/09/21/833210921.db2.gz	LHMNHKWGDQKGBJ-VYDXJSESSA-N	1	0	371.485	1.870	20	30		FDEDRO
Cc1nonc1C(=O)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001088220393	827546894	/nfs/dbraw/zinc/54/68/94/827546894.db2.gz	ABUOBOZZDXWXRY-MSOLQXFVSA-N	1	0	350.422	1.824	20	30		FDEDRO
Cc1nonc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3F)CC[C@@H]2C1	ZINC001088220436	827547840	/nfs/dbraw/zinc/54/78/40/827547840.db2.gz	BZKNCRMJPLNNDU-ZBFHGGJFSA-N	1	0	369.400	1.983	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CCc2ncccn2)C[C@H]1C(F)(F)F	ZINC001112182191	827599830	/nfs/dbraw/zinc/59/98/30/827599830.db2.gz	UJIJGEHYSDPLTN-ZIAGYGMSSA-N	1	0	370.375	1.038	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CC)cc1	ZINC000523040149	827626015	/nfs/dbraw/zinc/62/60/15/827626015.db2.gz	BRDAXOXTNNRMNS-MRXNPFEDSA-N	1	0	373.457	1.533	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CO[C@@H]2CC[N@@H+](CCCO)C2)CC1	ZINC001088237994	827644015	/nfs/dbraw/zinc/64/40/15/827644015.db2.gz	ICUUCTSUSAYPLL-QRVBRYPASA-N	1	0	366.502	1.289	20	30		FDEDRO
N#Cc1cc(C(=O)Nc2ccccc2C[N@H+]2CCC[C@@H](C(N)=O)C2)ccn1	ZINC000475449686	827664908	/nfs/dbraw/zinc/66/49/08/827664908.db2.gz	URHDSLBHUKEKIB-MRXNPFEDSA-N	1	0	363.421	1.903	20	30		FDEDRO
C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)C[C@H](C)N1CC#N	ZINC000925167810	828296229	/nfs/dbraw/zinc/29/62/29/828296229.db2.gz	DHUCIPBUDFHJNW-QKPAOTATSA-N	1	0	351.520	1.194	20	30		FDEDRO
CN1CC[NH+](CCCCNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1	ZINC000526838340	828876742	/nfs/dbraw/zinc/87/67/42/828876742.db2.gz	UIJOIZAJJPFXOG-LJQANCHMSA-N	1	0	353.470	1.384	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@@H+](C)Cc2cnnn2CC)CC1	ZINC000985698197	829033578	/nfs/dbraw/zinc/03/35/78/829033578.db2.gz	ZMTVJGAJTADWGJ-ROUUACIJSA-N	1	0	361.490	1.702	20	30		FDEDRO
C=CCN(C(=O)[C@@H]1CN(C)C[C@H](C)O1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000527545543	829101879	/nfs/dbraw/zinc/10/18/79/829101879.db2.gz	WWYVFEHOYYDAAU-MPGHIAIKSA-N	1	0	370.457	1.457	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCNCc1nc([C@@H](C)OC)no1	ZINC001168100467	829192446	/nfs/dbraw/zinc/19/24/46/829192446.db2.gz	AXZJFHFTDFRGIE-IPYPFGDCSA-N	1	0	352.435	1.354	20	30		FDEDRO
C[C@@H]1C[C@]1(C#N)C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1	ZINC000448956283	829311194	/nfs/dbraw/zinc/31/11/94/829311194.db2.gz	YZRZBCAZPKUNHF-FOIQADDNSA-N	1	0	354.454	1.678	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CCNC(=O)Cc2ccc(C#N)nc2)cc1	ZINC000528425001	829404288	/nfs/dbraw/zinc/40/42/88/829404288.db2.gz	SMYZSRKHLKWQAL-UHFFFAOYSA-N	1	0	352.438	1.795	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)CC1	ZINC000528448062	829407535	/nfs/dbraw/zinc/40/75/35/829407535.db2.gz	KFZWZHNGMVSQLI-UHFFFAOYSA-N	1	0	371.481	1.929	20	30		FDEDRO
Cc1c(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cnn1CCC#N	ZINC000897356269	829422602	/nfs/dbraw/zinc/42/26/02/829422602.db2.gz	QIFONXMVKKWJBS-GOSISDBHSA-N	1	0	367.453	1.602	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1	ZINC000528517513	829434960	/nfs/dbraw/zinc/43/49/60/829434960.db2.gz	AAHKZRVNAFURAV-MSOLQXFVSA-N	1	0	357.454	1.775	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O	ZINC000528521569	829435711	/nfs/dbraw/zinc/43/57/11/829435711.db2.gz	SFAQXGBHXZLCPX-IPMKNSEASA-N	1	0	352.434	1.911	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N[C@H](C)c1ccco1	ZINC001168109733	829534112	/nfs/dbraw/zinc/53/41/12/829534112.db2.gz	GGMJBEMEIMVHBA-VKJFTORMSA-N	1	0	363.458	1.534	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N(C)[C@H](C)CC(C)C	ZINC001168110375	829547386	/nfs/dbraw/zinc/54/73/86/829547386.db2.gz	SMZHMQILVXTDTC-AOIWGVFYSA-N	1	0	367.534	1.957	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)C2(C(=O)NC)CCC2)C[C@H]1C(F)(F)F	ZINC001112197548	829550102	/nfs/dbraw/zinc/55/01/02/829550102.db2.gz	XEUMPXIFXWYTMR-GHMZBOCLSA-N	1	0	367.799	1.634	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001059648050	829601420	/nfs/dbraw/zinc/60/14/20/829601420.db2.gz	LTCSAGUMCAHKNM-FGTMMUONSA-N	1	0	363.502	1.111	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cnnn2CC)C1	ZINC001029864559	829607947	/nfs/dbraw/zinc/60/79/47/829607947.db2.gz	QALZBVVVRAIAQQ-SZMVWBNQSA-N	1	0	361.490	1.560	20	30		FDEDRO
COCc1ccc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1C#N	ZINC000529212162	829764749	/nfs/dbraw/zinc/76/47/49/829764749.db2.gz	OUFVVUZCFRMMRS-HNNXBMFYSA-N	1	0	358.442	1.891	20	30		FDEDRO
CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000529319677	829826472	/nfs/dbraw/zinc/82/64/72/829826472.db2.gz	CAAJFJJVOVAHMH-MSOLQXFVSA-N	1	0	369.469	1.693	20	30		FDEDRO
N#Cc1cnc(NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c([N+](=O)[O-])c1	ZINC000450411789	829949278	/nfs/dbraw/zinc/94/92/78/829949278.db2.gz	OWQWKCZRAJVULD-JKSUJKDBSA-N	1	0	353.382	1.909	20	30		FDEDRO
Cc1cccc2[nH]c(CNC(=[NH2+])N3CCN(c4ncccn4)CC3)nc21	ZINC000262693733	830220114	/nfs/dbraw/zinc/22/01/14/830220114.db2.gz	ASTVHNWASMGHAK-UHFFFAOYSA-N	1	0	350.430	1.298	20	30		FDEDRO
C[NH+](C)C1(C(=O)N2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]3C2)CCC1	ZINC000985974898	830226358	/nfs/dbraw/zinc/22/63/58/830226358.db2.gz	GRBJKCZTVWUUQK-CABCVRRESA-N	1	0	369.469	1.291	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]3C2)C1	ZINC000985977331	830229807	/nfs/dbraw/zinc/22/98/07/830229807.db2.gz	YZTFVKTYPBXWSV-XHSDSOJGSA-N	1	0	369.469	1.149	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CCC[N@@H+]1CCCO	ZINC000452354708	830622642	/nfs/dbraw/zinc/62/26/42/830622642.db2.gz	WFQFRAGYXJCIPA-HKUYNNGSSA-N	1	0	359.470	1.925	20	30		FDEDRO
C=CCn1c(CNC(=O)c2ccco2)nnc1N(C)[C@@H]1CC[N@@H+](C(C)C)C1	ZINC000453424105	830933412	/nfs/dbraw/zinc/93/34/12/830933412.db2.gz	HGMHQRJXXHUXBD-OAHLLOKOSA-N	1	0	372.473	1.906	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)ccc1C#N	ZINC000453590139	830960412	/nfs/dbraw/zinc/96/04/12/830960412.db2.gz	GOJDFVIWVDUPBK-INIZCTEOSA-N	1	0	357.458	1.827	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccccn2)c1	ZINC000453641522	830979078	/nfs/dbraw/zinc/97/90/78/830979078.db2.gz	MLJOTCLZTPTAAN-UHFFFAOYSA-N	1	0	365.437	1.791	20	30		FDEDRO
CC(C)(C#N)c1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cc1	ZINC000453802691	831103590	/nfs/dbraw/zinc/10/35/90/831103590.db2.gz	DODJCXYMYYPWCR-KRWDZBQOSA-N	1	0	372.469	1.389	20	30		FDEDRO
C=CC(C)(C)CNC(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1	ZINC000453881953	831167258	/nfs/dbraw/zinc/16/72/58/831167258.db2.gz	QAIWPXRCGNLAJU-UHFFFAOYSA-N	1	0	360.458	1.822	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1	ZINC000986324469	831489524	/nfs/dbraw/zinc/48/95/24/831489524.db2.gz	PUOJSLGQBUOFNV-BBWFWOEESA-N	1	0	358.486	1.329	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1	ZINC000986426755	831662664	/nfs/dbraw/zinc/66/26/64/831662664.db2.gz	ZFEBYQLUZKPMSH-ZNMIVQPWSA-N	1	0	355.442	1.228	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)C[NH+](CC)CC)C1	ZINC001059729654	831961068	/nfs/dbraw/zinc/96/10/68/831961068.db2.gz	YXNFOTPMCAHXSE-KURKYZTESA-N	1	0	365.518	1.664	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1Cc3cccc(C)c3O1)C2	ZINC001111523909	832029535	/nfs/dbraw/zinc/02/95/35/832029535.db2.gz	QXTUDEADSDAXIO-YRXWBPOGSA-N	1	0	354.450	1.670	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CCNC(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC001059733145	832082235	/nfs/dbraw/zinc/08/22/35/832082235.db2.gz	BMBUMVADXJBFKI-QILLFSRXSA-N	1	0	371.485	1.585	20	30		FDEDRO
CN1CCC[NH+]=C1NCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1	ZINC000263070586	832299824	/nfs/dbraw/zinc/29/98/24/832299824.db2.gz	GQFBFSFVWDGQST-IBGZPJMESA-N	1	0	355.442	1.693	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1Cc1ccc(C(N)=O)cc1	ZINC001088513531	832330762	/nfs/dbraw/zinc/33/07/62/832330762.db2.gz	WRHNDPMPFRTYEL-WBMJQRKESA-N	1	0	351.410	1.378	20	30		FDEDRO
C[N@@H+](Cc1ccc(C#N)s1)CC1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1	ZINC001029996666	832334340	/nfs/dbraw/zinc/33/43/40/832334340.db2.gz	HGVIWWFIWMYFTP-CVEARBPZSA-N	1	0	360.483	1.412	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2csc(COC)n2)C[C@H]1C(F)(F)F	ZINC001112214158	832343057	/nfs/dbraw/zinc/34/30/57/832343057.db2.gz	PYGXEVOVQGILOO-GHMZBOCLSA-N	1	0	361.389	1.905	20	30		FDEDRO
C=C[C@@H]1C[C@]1(NC(=O)C1CC[NH+](Cc2ccncc2)CC1)C(=O)OCC	ZINC001142348127	832391323	/nfs/dbraw/zinc/39/13/23/832391323.db2.gz	OSUZWIHZRLRUOG-YLJYHZDGSA-N	1	0	357.454	1.918	20	30		FDEDRO
C[C@]1(C2CC2)NC(=O)N(c2cccc(CNC(=[NH2+])NC3CCC3)c2)C1=O	ZINC000263142127	832555324	/nfs/dbraw/zinc/55/53/24/832555324.db2.gz	OKCBELHDBOBRLH-LJQANCHMSA-N	1	0	355.442	1.868	20	30		FDEDRO
COc1ccc(C#N)cc1CN1CC[C@H](NC(=O)Cc2cncnc2)[C@H]1C	ZINC001088544465	832572750	/nfs/dbraw/zinc/57/27/50/832572750.db2.gz	HPPZHUBSRJHIFT-KDOFPFPSSA-N	1	0	365.437	1.679	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3ccccc3O)[C@H]2C)CC1	ZINC000987371448	832908350	/nfs/dbraw/zinc/90/83/50/832908350.db2.gz	ZIOSNAPQBITILY-QAPCUYQASA-N	1	0	369.465	1.457	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)CC1CC[NH+](C)CC1	ZINC000987646298	833511798	/nfs/dbraw/zinc/51/17/98/833511798.db2.gz	DUHAPNRCVSXOMF-DYVFJYSZSA-N	1	0	357.458	1.337	20	30		FDEDRO
NS(=O)(=O)c1ccc(CCNC(=[NH2+])N[C@H]2CCOc3ccccc32)cc1	ZINC000262455206	837690476	/nfs/dbraw/zinc/69/04/76/837690476.db2.gz	FDXOHPJXJYEGQR-INIZCTEOSA-N	1	0	374.466	1.305	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC000988031556	833902569	/nfs/dbraw/zinc/90/25/69/833902569.db2.gz	MTWUVUASEWPJIQ-JTDSTZFVSA-N	1	0	368.481	1.324	20	30		FDEDRO
COc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)ncn1	ZINC001088571098	834844281	/nfs/dbraw/zinc/84/42/81/834844281.db2.gz	GTDIQCPLFQRQBY-CJNGLKHVSA-N	1	0	351.410	1.750	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1CC#Cc1ccccc1	ZINC001088571902	834850961	/nfs/dbraw/zinc/85/09/61/834850961.db2.gz	QZZUXZSLEBPNLX-QMMLZNLJSA-N	1	0	351.494	1.959	20	30		FDEDRO
C[C@H]1CN(Cc2c(C#N)cccc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1	ZINC000459373769	835190169	/nfs/dbraw/zinc/19/01/69/835190169.db2.gz	NCPXEUXYGCYPJN-MAUKXSAKSA-N	1	0	357.458	1.924	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)C3(F)CCCC3)[C@@H]2C)CC1	ZINC000988505760	835645467	/nfs/dbraw/zinc/64/54/67/835645467.db2.gz	CPEMXSDMQVQKSP-WBVHZDCISA-N	1	0	363.477	1.720	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3ccc(CC)o3)[C@@H]2C)CC1	ZINC000988507880	835663697	/nfs/dbraw/zinc/66/36/97/835663697.db2.gz	XKZQORXLLZWJNS-QAPCUYQASA-N	1	0	371.481	1.906	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCCCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105668832	844097348	/nfs/dbraw/zinc/09/73/48/844097348.db2.gz	ZYKUADQWVFIXAA-IZBJGVDFSA-N	1	0	366.502	1.029	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1CN(CCOc2ccccc2OC)C[C@H]1OC	ZINC001212035798	836329493	/nfs/dbraw/zinc/32/94/93/836329493.db2.gz	BXRQFVQJBYRYMK-CRAIPNDOSA-N	1	0	364.442	1.092	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3[nH]cnc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105669234	844158934	/nfs/dbraw/zinc/15/89/34/844158934.db2.gz	QGWVITFTLRQJGS-QQTQMKHKSA-N	1	0	358.486	1.575	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2occc2Cl)[C@@H]1C	ZINC000988738370	836943512	/nfs/dbraw/zinc/94/35/12/836943512.db2.gz	NLMJAYJXUFRTLN-SNPRPXQTSA-N	1	0	363.845	1.750	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2sccc2F)[C@@H]1C	ZINC000988738299	836943526	/nfs/dbraw/zinc/94/35/26/836943526.db2.gz	LKWBWCJJWOWPSW-SNPRPXQTSA-N	1	0	363.458	1.704	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C[C@H]2CCC(=O)NC2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088617587	836994529	/nfs/dbraw/zinc/99/45/29/836994529.db2.gz	QQBOSXGAIBNPDF-OLMNPRSZSA-N	1	0	354.454	1.554	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)[C@@H]2C)cc1	ZINC001088789130	844228528	/nfs/dbraw/zinc/22/85/28/844228528.db2.gz	WUBPMEOAERBTTP-LZQZEXGQSA-N	1	0	352.438	1.118	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105669468	844248218	/nfs/dbraw/zinc/24/82/18/844248218.db2.gz	RUNYOCMHKUAMLE-PDOICOKGSA-N	1	0	350.503	1.648	20	30		FDEDRO
CN(C)C(NCc1ccccc1)=[NH+]C[C@@H]1CCn2ncc(C(N)=O)c2C1	ZINC000261918996	837357105	/nfs/dbraw/zinc/35/71/05/837357105.db2.gz	IMTDLXHIJDUUPR-OAHLLOKOSA-N	1	0	354.458	1.252	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1	ZINC000988997313	838059101	/nfs/dbraw/zinc/05/91/01/838059101.db2.gz	XLIDQHBKRYRTKT-CXQPBAHBSA-N	1	0	369.509	1.794	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000989018259	838170515	/nfs/dbraw/zinc/17/05/15/838170515.db2.gz	GHGHFVBSMAJTAQ-RPVQJOFSSA-N	1	0	369.469	1.480	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)Cn2cc(C3CC3)nn2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088620719	838204076	/nfs/dbraw/zinc/20/40/76/838204076.db2.gz	YLTZTGWAYPBPHN-KDOFPFPSSA-N	1	0	364.453	1.806	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000989115261	838360050	/nfs/dbraw/zinc/36/00/50/838360050.db2.gz	BFSMGKNCVMDMPX-WBMJQRKESA-N	1	0	362.393	1.567	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1	ZINC000271935195	838421490	/nfs/dbraw/zinc/42/14/90/838421490.db2.gz	NRWAWGZPAUKBEK-GJZGRUSLSA-N	1	0	355.438	1.876	20	30		FDEDRO
COCCN(CC#N)CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1	ZINC000459539305	838824866	/nfs/dbraw/zinc/82/48/66/838824866.db2.gz	WGRKUHVYTULWFC-UHFFFAOYSA-N	1	0	358.486	1.501	20	30		FDEDRO
COCC[N@@H+](Cc1c(C)nn(C)c1C)C[C@H](O)COc1ccc(C#N)cc1	ZINC000459577950	838851798	/nfs/dbraw/zinc/85/17/98/838851798.db2.gz	WVFVXXFKLNQTBI-SFHVURJKSA-N	1	0	372.469	1.797	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1	ZINC000459819393	838961884	/nfs/dbraw/zinc/96/18/84/838961884.db2.gz	UHPBJXMNMYMDKT-UHFFFAOYSA-N	1	0	356.470	1.957	20	30		FDEDRO
C[C@@H]1C[C@H](C)CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000459926932	839116566	/nfs/dbraw/zinc/11/65/66/839116566.db2.gz	KSORQNZCNITGFU-CALCHBBNSA-N	1	0	370.497	1.953	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CCC(C#N)CC1	ZINC000460018865	839213965	/nfs/dbraw/zinc/21/39/65/839213965.db2.gz	AZIZJDQWHDEPPE-UHFFFAOYSA-N	1	0	360.433	1.478	20	30		FDEDRO
C[NH+]1CCC(CNC(=S)N2CCN(c3ncccc3C#N)CC2)CC1	ZINC000760467715	839987457	/nfs/dbraw/zinc/98/74/57/839987457.db2.gz	JCMPPDJRGJPOCH-UHFFFAOYSA-N	1	0	358.515	1.292	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105587507	840026307	/nfs/dbraw/zinc/02/63/07/840026307.db2.gz	IRNJYSAEHAGBES-BNDYYXHWSA-N	1	0	371.481	1.311	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(F)F)[C@H]2C(C)C)C[C@H]1O	ZINC001105585874	840044689	/nfs/dbraw/zinc/04/46/89/840044689.db2.gz	XSKOEUAMDLLSFG-BSXFFOKHSA-N	1	0	360.445	1.810	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccco3)[C@H]2C(C)C)C[C@H]1O	ZINC001105588105	840050186	/nfs/dbraw/zinc/05/01/86/840050186.db2.gz	QWPJSWGTBFTZJU-HBXLWWENSA-N	1	0	360.454	1.509	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc[n+]([O-])cc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105590480	840126671	/nfs/dbraw/zinc/12/66/71/840126671.db2.gz	KQBXDPALYLTSPT-SOAMZJECSA-N	1	0	359.470	1.476	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccoc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105593467	840259846	/nfs/dbraw/zinc/25/98/46/840259846.db2.gz	ADKINKYOEWTIIR-XSYGEPLQSA-N	1	0	360.454	1.509	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C)n3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105594753	840581908	/nfs/dbraw/zinc/58/19/08/840581908.db2.gz	WMGLGAJJXNPKPP-RDPOXOKHSA-N	1	0	357.498	1.937	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC000897935915	840605092	/nfs/dbraw/zinc/60/50/92/840605092.db2.gz	JANZRMABDPORGU-LFDJNIOPSA-N	1	0	354.454	1.807	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(CC)([NH+]2CCC2)CC1	ZINC000898044862	840685695	/nfs/dbraw/zinc/68/56/95/840685695.db2.gz	CCAZJRHZOKUMPC-SJORKVTESA-N	1	0	363.502	1.561	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCC(C)(C)CC#N)cc2)CC1	ZINC000898066374	840735060	/nfs/dbraw/zinc/73/50/60/840735060.db2.gz	BLYKKVVOBHJABS-UHFFFAOYSA-N	1	0	371.485	1.111	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCn3cccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105598765	840779592	/nfs/dbraw/zinc/77/95/92/840779592.db2.gz	WPIXRUCADIUMGF-IZBJGVDFSA-N	1	0	360.502	1.815	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCSC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105598798	840780135	/nfs/dbraw/zinc/78/01/35/840780135.db2.gz	XCQMCLBXQDPJPT-RWQQGDIJSA-N	1	0	370.559	1.908	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)NCC2(C#N)CCCCC2)CCN1c1cc[nH+]cc1	ZINC000898124630	840796133	/nfs/dbraw/zinc/79/61/33/840796133.db2.gz	CKEZETKSSSFBST-MRXNPFEDSA-N	1	0	369.469	1.709	20	30		FDEDRO
CC(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CSCC#N)[C@@H]2C(C)C)C[C@H]1O	ZINC001105601243	841044479	/nfs/dbraw/zinc/04/44/79/841044479.db2.gz	VEVXERHQBVQJKV-JOCBIADPSA-N	1	0	353.532	1.865	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnc(F)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105603086	841163045	/nfs/dbraw/zinc/16/30/45/841163045.db2.gz	DFHHTRBHWJZGTM-HBXLWWENSA-N	1	0	359.445	1.824	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnc(F)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105603582	841176834	/nfs/dbraw/zinc/17/68/34/841176834.db2.gz	MHILRAJGYGXUKY-HBXLWWENSA-N	1	0	359.445	1.824	20	30		FDEDRO
C=CCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NCC=C)C2)[C@H]1C(C)C	ZINC001105604678	841184390	/nfs/dbraw/zinc/18/43/90/841184390.db2.gz	WHHOUGNCRUMYOY-SMOSDQRPSA-N	1	0	363.502	1.221	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(CC)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105607580	841231511	/nfs/dbraw/zinc/23/15/11/841231511.db2.gz	UGDJXRCWXILINI-MLYOOKFZSA-N	1	0	358.486	1.506	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCC3CC3)C2)[C@@H]1C(C)C	ZINC001105609883	841454072	/nfs/dbraw/zinc/45/40/72/841454072.db2.gz	CUTRSTWCKGOWMG-IZBJGVDFSA-N	1	0	350.503	1.955	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C)c1	ZINC000989801580	841470851	/nfs/dbraw/zinc/47/08/51/841470851.db2.gz	PGSUEBCUPCRHKF-ZMYBRWDISA-N	1	0	366.465	1.124	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CCN1C(=O)C#CC1CC1	ZINC000990006545	841807742	/nfs/dbraw/zinc/80/77/42/841807742.db2.gz	WHEBWHMVWPRZEY-PTSWNOGYSA-N	1	0	363.477	1.718	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C)nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105611595	841892775	/nfs/dbraw/zinc/89/27/75/841892775.db2.gz	UHONLQUDDHMZKB-SOAMZJECSA-N	1	0	358.486	1.332	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C=C3CCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105615453	842231557	/nfs/dbraw/zinc/23/15/57/842231557.db2.gz	VQDRMEPIJBHTRL-QCFAMHMHSA-N	1	0	360.498	1.713	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)ncn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619323	842236936	/nfs/dbraw/zinc/23/69/36/842236936.db2.gz	IZDPVZPPSFUIOU-SOAMZJECSA-N	1	0	358.486	1.941	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)c2ccc(C#N)[nH]2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCF)C2	ZINC001105619543	842238540	/nfs/dbraw/zinc/23/85/40/842238540.db2.gz	MYGZCSQCYWISSB-VXNCWWDNSA-N	1	0	362.449	1.826	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH]c(C#N)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105622598	842248525	/nfs/dbraw/zinc/24/85/25/842248525.db2.gz	DJMQBSWCZJMJQQ-FTEYMNFISA-N	1	0	354.454	1.489	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3ncc[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105622913	842249615	/nfs/dbraw/zinc/24/96/15/842249615.db2.gz	JXZHGDQSELOEKL-YKCBXCCJSA-N	1	0	358.486	1.332	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(=O)NCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105623216	842250764	/nfs/dbraw/zinc/25/07/64/842250764.db2.gz	OFGFEKJJMREXEP-KJWYOANISA-N	1	0	371.909	1.231	20	30		FDEDRO
COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105624162	842253387	/nfs/dbraw/zinc/25/33/87/842253387.db2.gz	XVWQMKFVFMWPBZ-MTNOOBJLSA-N	1	0	360.458	1.112	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nn(C)cc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105626506	842257141	/nfs/dbraw/zinc/25/71/41/842257141.db2.gz	CFSMBOILDPAQOD-HBXLWWENSA-N	1	0	360.502	1.884	20	30		FDEDRO
CCOCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C#CC3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105627686	842260353	/nfs/dbraw/zinc/26/03/53/842260353.db2.gz	OYDSNSSTARMRGL-RMVXJAJNSA-N	1	0	362.514	1.793	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCOCC)C2)[C@@H]1C(C)C	ZINC001105631410	842263847	/nfs/dbraw/zinc/26/38/47/842263847.db2.gz	BQZMMNIQDIUCTA-IZBJGVDFSA-N	1	0	366.502	1.029	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3nccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105631487	842264785	/nfs/dbraw/zinc/26/47/85/842264785.db2.gz	CZXNQRZVPAFYGW-PSBWJHGTSA-N	1	0	361.490	1.210	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCOC)C2)[C@@H]1C(C)C	ZINC001105633330	842282571	/nfs/dbraw/zinc/28/25/71/842282571.db2.gz	RYFSSRHALHBYDC-IZBJGVDFSA-N	1	0	366.502	1.029	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3ccncn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105633950	842283115	/nfs/dbraw/zinc/28/31/15/842283115.db2.gz	YCADYRLJGSFJQB-RMVXJAJNSA-N	1	0	370.497	1.399	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105641531	842296335	/nfs/dbraw/zinc/29/63/35/842296335.db2.gz	CDTWXMCWHFHSNA-PHXBYCTMSA-N	1	0	360.502	1.966	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cncc(C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105643095	842328982	/nfs/dbraw/zinc/32/89/82/842328982.db2.gz	SFRGNHCFMLVAFQ-CZAYHTPWSA-N	1	0	369.509	1.922	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105643414	842335403	/nfs/dbraw/zinc/33/54/03/842335403.db2.gz	XYHKGADCLBNAKN-UIXUWTQFSA-N	1	0	360.502	1.966	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)COC)[C@H]2C(C)C)C[C@H]1O	ZINC001105646333	842405858	/nfs/dbraw/zinc/40/58/58/842405858.db2.gz	IUCLUFDJYKLZOU-PDOICOKGSA-N	1	0	350.503	1.648	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)COCC(F)F)[C@H]2C(C)C)C[C@H]1O	ZINC001105646397	842406225	/nfs/dbraw/zinc/40/62/25/842406225.db2.gz	JIHQNUAMHCEXNV-KJWYOANISA-N	1	0	360.445	1.810	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@H]1C(C)C	ZINC001105647676	842414736	/nfs/dbraw/zinc/41/47/36/842414736.db2.gz	SVDGKRLMHNSYNU-VIPLHTEESA-N	1	0	352.519	1.937	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@H]1C(C)C	ZINC001105651374	842445466	/nfs/dbraw/zinc/44/54/66/842445466.db2.gz	GMSGOWPFEWVPQJ-HNBVOPMISA-N	1	0	350.503	1.793	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cscn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105655578	842484275	/nfs/dbraw/zinc/48/42/75/842484275.db2.gz	JHHZIHZMQWZFHT-RWQQGDIJSA-N	1	0	361.511	1.675	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CCOC)C3)[C@@H]2C(C)C)C1	ZINC001105656787	842488248	/nfs/dbraw/zinc/48/82/48/842488248.db2.gz	TWPQTUNGNNGLKL-WWNBULGVSA-N	1	0	350.503	1.955	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001105657117	842491514	/nfs/dbraw/zinc/49/15/14/842491514.db2.gz	WQRISNMMYZIZAP-QQTQMKHKSA-N	1	0	364.534	1.454	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3ccc(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105657286	842494122	/nfs/dbraw/zinc/49/41/22/842494122.db2.gz	XSDRPLAOBKOXEN-JYBIWHBTSA-N	1	0	358.486	1.181	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)NC(C)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105661256	842680423	/nfs/dbraw/zinc/68/04/23/842680423.db2.gz	GIJSXDQLGUVMPD-WWNBULGVSA-N	1	0	365.518	1.443	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)nc(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105661421	842701120	/nfs/dbraw/zinc/70/11/20/842701120.db2.gz	IONVIXUNNRBEDU-ANTGDGSKSA-N	1	0	370.497	1.696	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(OC)o3)[C@H]2C(C)C)C[C@H]1O	ZINC001105661439	842703226	/nfs/dbraw/zinc/70/32/26/842703226.db2.gz	IQYXMOLMMWEVNK-OHRYMORCSA-N	1	0	360.454	1.891	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc3nnnn3c2)CCN1Cc1ccc(C#N)s1	ZINC001088744346	842744622	/nfs/dbraw/zinc/74/46/22/842744622.db2.gz	UXPBAEWWZMONLO-ABAIWWIYSA-N	1	0	367.438	1.450	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc3nnnn3c2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088744708	842756855	/nfs/dbraw/zinc/75/68/55/842756855.db2.gz	QFODCKNZOABEGE-DYVFJYSZSA-N	1	0	361.409	1.389	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)cc1	ZINC001075958741	842802353	/nfs/dbraw/zinc/80/23/53/842802353.db2.gz	SDRWVZBMXUXYNY-CGTJXYLNSA-N	1	0	355.438	1.286	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(CC=C)nn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105664242	842891542	/nfs/dbraw/zinc/89/15/42/842891542.db2.gz	XHYKQYBSUNBKJB-LBKNJMOBSA-N	1	0	371.485	1.067	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CC4CC(F)(F)C4)[C@@H]3C2)C1=O	ZINC001075962890	842924882	/nfs/dbraw/zinc/92/48/82/842924882.db2.gz	UCIRJMRETRPYFW-HRCADAONSA-N	1	0	367.440	1.741	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N(CC[NH+](C)C)C(C)C	ZINC000462091317	843315450	/nfs/dbraw/zinc/31/54/50/843315450.db2.gz	YQBJVDWQRDPCEK-UHFFFAOYSA-N	1	0	355.446	2.251	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH]c(C)cc3=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105666883	843335460	/nfs/dbraw/zinc/33/54/60/843335460.db2.gz	KTJVFORELPEKOI-XLBJILASSA-N	1	0	371.481	1.286	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCCCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105667183	843518817	/nfs/dbraw/zinc/51/88/17/843518817.db2.gz	PAHRYIHVEDEVGG-ZAWLATJESA-N	1	0	354.491	1.192	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCCCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105667180	843518931	/nfs/dbraw/zinc/51/89/31/843518931.db2.gz	PAHRYIHVEDEVGG-FPAYPSAMSA-N	1	0	354.491	1.192	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@]2(C)CNC(=O)C2)CCN1Cc1cc(C#N)ccc1F	ZINC001088765483	843522935	/nfs/dbraw/zinc/52/29/35/843522935.db2.gz	FZPJRUZETBCOKK-GFJSAUFNSA-N	1	0	358.417	1.303	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(=O)[nH]c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667527	843637573	/nfs/dbraw/zinc/63/75/73/843637573.db2.gz	CBIHOBQRWNTOGD-CIWUYKSXSA-N	1	0	357.454	1.390	20	30		FDEDRO
Cn1cc(C[NH2+]CCN2CCN(C(=O)C3CCCCC3)CC2)cc1C#N	ZINC000480353261	845077627	/nfs/dbraw/zinc/07/76/27/845077627.db2.gz	GNQMGZOWXNALGD-UHFFFAOYSA-N	1	0	357.502	1.711	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCOCCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105674273	845473318	/nfs/dbraw/zinc/47/33/18/845473318.db2.gz	VIZXNYQFGBFKGN-HNBVOPMISA-N	1	0	368.518	1.582	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCC(N)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105674567	845501019	/nfs/dbraw/zinc/50/10/19/845501019.db2.gz	ZMCSVITWEUIDKI-KJWYOANISA-N	1	0	371.909	1.361	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCCOCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105674959	845624026	/nfs/dbraw/zinc/62/40/26/845624026.db2.gz	JZLWYBYUMINUFN-IZBJGVDFSA-N	1	0	368.518	1.582	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncnc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105675209	845658819	/nfs/dbraw/zinc/65/88/19/845658819.db2.gz	MZFYKWGUKHDMTH-WERVVEIQSA-N	1	0	370.497	1.642	20	30		FDEDRO
CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N(C)CCc2cccc(C#N)c2)C1	ZINC000913179427	861600468	/nfs/dbraw/zinc/60/04/68/861600468.db2.gz	IRPIOYTUBNIFQA-GOSISDBHSA-N	1	0	357.454	1.834	20	30		FDEDRO
O=C(NCC(F)(C(F)(F)F)C(F)(F)F)C1C[NH+]([C@H]2CCOC2)C1	ZINC000899093683	845751849	/nfs/dbraw/zinc/75/18/49/845751849.db2.gz	UYOGCGZNHIIBIA-QMMMGPOBSA-N	1	0	352.250	1.656	20	30		FDEDRO
CN(C)c1ccc([C@H](CNC(=O)N2CCO[C@@](C)(C#N)C2)[NH+](C)C)cc1	ZINC000899095820	845756403	/nfs/dbraw/zinc/75/64/03/845756403.db2.gz	MXZXXVFQHNAITB-HKUYNNGSSA-N	1	0	359.474	1.679	20	30		FDEDRO
CN(C)c1ccc([C@@H](CNC(=O)N2CCO[C@@](C)(C#N)C2)[NH+](C)C)cc1	ZINC000899095822	845756788	/nfs/dbraw/zinc/75/67/88/845756788.db2.gz	MXZXXVFQHNAITB-MJGOQNOKSA-N	1	0	359.474	1.679	20	30		FDEDRO
C#CC[C@@H]1NC(=O)N(CCC[NH+]2CCN(c3ccc(OC)cc3)CC2)C1=O	ZINC000842236487	845844810	/nfs/dbraw/zinc/84/48/10/845844810.db2.gz	SUZDYPZVRFNNEM-SFHVURJKSA-N	1	0	370.453	1.151	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)NCC(C)(C)[NH2+]C)c(C#N)cn1CCOC	ZINC000481340653	846404808	/nfs/dbraw/zinc/40/48/08/846404808.db2.gz	FXRNXSUYWSOMNF-UHFFFAOYSA-N	1	0	365.434	1.302	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)C2	ZINC000923947174	846833719	/nfs/dbraw/zinc/83/37/19/846833719.db2.gz	SLOCLQYOGBEUCE-IEBWSBKVSA-N	1	0	354.454	1.578	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCN(C(C)C)C4=O)C[C@H]32)cc1	ZINC001076119503	847315333	/nfs/dbraw/zinc/31/53/33/847315333.db2.gz	NHSJKTLQOWYTRG-SLFFLAALSA-N	1	0	365.477	1.824	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(OC)ccn4)[C@@H]3C2)C1=O	ZINC001076121130	847318903	/nfs/dbraw/zinc/31/89/03/847318903.db2.gz	RKCKEKILGCRVBM-BMGDILEWSA-N	1	0	370.453	1.023	20	30		FDEDRO
CN1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)C1=O	ZINC001076150892	847393402	/nfs/dbraw/zinc/39/34/02/847393402.db2.gz	AKNDFRMDUVZBKQ-OKZBNKHCSA-N	1	0	352.438	1.069	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)Cc4cnoc4)[C@@H]3C2)cc1	ZINC001076162674	847455291	/nfs/dbraw/zinc/45/52/91/847455291.db2.gz	PNNGJHUMVALBEE-PKOBYXMFSA-N	1	0	366.421	1.852	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)cc1	ZINC001076336499	847884463	/nfs/dbraw/zinc/88/44/63/847884463.db2.gz	ZXRNURYWSOZMHF-QXAKKESOSA-N	1	0	367.449	1.076	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CC[C@H]3C[N@H+](CCOC4CCC4)C[C@H]32)nn1	ZINC001076345106	847920497	/nfs/dbraw/zinc/92/04/97/847920497.db2.gz	OFQDTEYIIOIPPN-MAUKXSAKSA-N	1	0	359.474	1.570	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)C4(F)CCCCC4)[C@@H]3C2)C1=O	ZINC001076426224	848109825	/nfs/dbraw/zinc/10/98/25/848109825.db2.gz	SHRNFFPUPQFUFA-GVDBMIGSSA-N	1	0	363.477	1.978	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(C)cc4)[C@@H]3C2)C1=O	ZINC001076495994	848253129	/nfs/dbraw/zinc/25/31/29/848253129.db2.gz	YMZMMAQCTUAOMA-GBESFXJTSA-N	1	0	353.466	1.928	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)COc4ccccc4)[C@@H]3C2)C1=O	ZINC001076494510	848276453	/nfs/dbraw/zinc/27/64/53/848276453.db2.gz	DAMVTYTXHDBKJL-QXAKKESOSA-N	1	0	369.465	1.385	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4cccc(F)c4)[C@@H]3C2)C1=O	ZINC001076535601	848362050	/nfs/dbraw/zinc/36/20/50/848362050.db2.gz	VMLHPSFYMXQDPD-QXAKKESOSA-N	1	0	371.456	1.688	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cccn4CC)[C@@H]3C2)C1=O	ZINC001076578799	848479664	/nfs/dbraw/zinc/47/96/64/848479664.db2.gz	VHKQRIXMUXHXHX-RYQLBKOJSA-N	1	0	356.470	1.441	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(Cc4nccn4CC)C[C@H]32)CC1	ZINC001076604521	848553952	/nfs/dbraw/zinc/55/39/52/848553952.db2.gz	KBZMQOODMJSWSB-RBUKOAKNSA-N	1	0	369.513	1.281	20	30		FDEDRO
COc1ccc(CN2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)cc1C#N	ZINC001088835799	848970574	/nfs/dbraw/zinc/97/05/74/848970574.db2.gz	OVMIBBAXMMTXOY-BEFAXECRSA-N	1	0	370.497	1.988	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnn3cc(C)cnc13)C2	ZINC001112537639	849001660	/nfs/dbraw/zinc/00/16/60/849001660.db2.gz	QWUZOIREJIBYAK-JXFKEZNVSA-N	1	0	351.454	1.893	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1	ZINC000483152633	849337334	/nfs/dbraw/zinc/33/73/34/849337334.db2.gz	DNOIIHIJCBDLTK-SJLPKXTDSA-N	1	0	359.470	1.647	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(Cc3ccc(F)c(C#N)c3)C[C@H]2O)CC[N@@H+]1C	ZINC001077026687	849573427	/nfs/dbraw/zinc/57/34/27/849573427.db2.gz	FTZUSQJNMFOTDC-JCHJZTRSSA-N	1	0	374.460	1.089	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)C1CC[NH+](C)CC1	ZINC001077183409	850003829	/nfs/dbraw/zinc/00/38/29/850003829.db2.gz	KGKSZISKKRWXMW-XIRDDKMYSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O	ZINC001077247349	850239931	/nfs/dbraw/zinc/23/99/31/850239931.db2.gz	VAFVAVWXZKNQGJ-QZTJIDSGSA-N	1	0	360.454	1.453	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccc2c[nH+]cn2c1	ZINC001077380891	850757687	/nfs/dbraw/zinc/75/76/87/850757687.db2.gz	OYFPJEHTKIFQSF-XKQJLSEDSA-N	1	0	356.426	1.550	20	30		FDEDRO
C=CCNC(=O)c1cccc(-c2noc([C@]34C[NH2+]C[C@H]3CCOC4)n2)c1	ZINC000904583767	851290803	/nfs/dbraw/zinc/29/08/03/851290803.db2.gz	GYBGNFBZIOKMEH-BEFAXECRSA-N	1	0	354.410	1.530	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1	ZINC000904965284	851559628	/nfs/dbraw/zinc/55/96/28/851559628.db2.gz	BZQBEYRPOYEPIF-SFHVURJKSA-N	1	0	360.483	1.570	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+]C[C@H](O)C[C@H](O)c3ccccc3)CC2)nc1	ZINC000905089826	851639308	/nfs/dbraw/zinc/63/93/08/851639308.db2.gz	RVBYJQKMCTXUIF-UXHICEINSA-N	1	0	366.465	1.996	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH2+]C[C@H](O)CC3(CO)CCCC3)C2=O)cc1	ZINC000905199868	851743372	/nfs/dbraw/zinc/74/33/72/851743372.db2.gz	CCQQHLZNZQSSJQ-MOPGFXCFSA-N	1	0	371.481	1.947	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)C(C)(C)n1cc(NC(=O)OC(C)(C)C)cn1	ZINC000913523678	862289980	/nfs/dbraw/zinc/28/99/80/862289980.db2.gz	IMUBHIWXCBEEMO-UHFFFAOYSA-N	1	0	363.462	1.646	20	30		FDEDRO
COc1ccc(-c2nnc(SCC(=O)NCC#CC[NH+](C)C)o2)cc1	ZINC000913516584	862298298	/nfs/dbraw/zinc/29/82/98/862298298.db2.gz	WSPPPNIGNYPCKK-UHFFFAOYSA-N	1	0	360.439	1.519	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(N2CCNC2=O)cc1	ZINC000905421722	851917981	/nfs/dbraw/zinc/91/79/81/851917981.db2.gz	ZJJREDZBWKBLGA-GOSISDBHSA-N	1	0	366.421	1.617	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)C1CCN(C(=O)CCc2ccccc2)CC1	ZINC000913517163	862301371	/nfs/dbraw/zinc/30/13/71/862301371.db2.gz	VJWASWAWLCOBMD-UHFFFAOYSA-N	1	0	355.482	1.539	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21	ZINC000913522491	862306501	/nfs/dbraw/zinc/30/65/01/862306501.db2.gz	LSVVOERTAFAOON-UHFFFAOYSA-N	1	0	351.204	1.326	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1	ZINC000668464408	852025876	/nfs/dbraw/zinc/02/58/76/852025876.db2.gz	BSDOBJNVZUJXNY-SJLPKXTDSA-N	1	0	364.534	1.380	20	30		FDEDRO
CC(C)O[C@@]1(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCOC1	ZINC000905555358	852030726	/nfs/dbraw/zinc/03/07/26/852030726.db2.gz	FRYTZBATHXROQW-QGZVFWFLSA-N	1	0	352.456	1.506	20	30		FDEDRO
N#Cc1ccccc1NC(=S)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000905555939	852031895	/nfs/dbraw/zinc/03/18/95/852031895.db2.gz	NLTMKMCXFSKPEJ-KRWDZBQOSA-N	1	0	373.526	1.641	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCN2CC(F)(F)F)cc1	ZINC000905564780	852039087	/nfs/dbraw/zinc/03/90/87/852039087.db2.gz	NIGSVHFCWKYCDC-GJZGRUSLSA-N	1	0	357.376	1.914	20	30		FDEDRO
Cn1nc(C(F)(F)F)cc1C[NH2+]C[C@@H](O)COc1ccccc1C#N	ZINC000905568100	852042004	/nfs/dbraw/zinc/04/20/04/852042004.db2.gz	IYNRTOXPEZWRGP-CYBMUJFWSA-N	1	0	354.332	1.840	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O	ZINC001083593541	852238998	/nfs/dbraw/zinc/23/89/98/852238998.db2.gz	QRUDNLGVLYKHAL-NJYVYQBISA-N	1	0	369.509	1.320	20	30		FDEDRO
C=CC[C@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C(=O)OC	ZINC000905759083	852249175	/nfs/dbraw/zinc/24/91/75/852249175.db2.gz	ILTHAEZZQLRABS-ROUUACIJSA-N	1	0	359.470	1.591	20	30		FDEDRO
Cn1nc2c(c1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)CCC2	ZINC000906441501	852874580	/nfs/dbraw/zinc/87/45/80/852874580.db2.gz	UWBVTAMHFDRMQV-UHFFFAOYSA-N	1	0	351.454	1.984	20	30		FDEDRO
COCc1ccccc1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O	ZINC001083599741	852926328	/nfs/dbraw/zinc/92/63/28/852926328.db2.gz	JFHMILPOOPROQH-UXHICEINSA-N	1	0	365.433	1.680	20	30		FDEDRO
N#C[C@]1(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)CC2CCC1CC2	ZINC000906511022	852954855	/nfs/dbraw/zinc/95/48/55/852954855.db2.gz	JOXLDFLVPHEQHX-GXKRMFDSSA-N	1	0	358.486	1.647	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1	ZINC000906706699	853192576	/nfs/dbraw/zinc/19/25/76/853192576.db2.gz	ALMHJEZOBSPBGV-IBGZPJMESA-N	1	0	354.498	1.956	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1CN(C[C@@H](O)CC(F)(F)F)C[C@H]1OC	ZINC001212146459	862488841	/nfs/dbraw/zinc/48/88/41/862488841.db2.gz	PWURDXYGBKEDQY-BFHYXJOUSA-N	1	0	350.381	1.309	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)c1ccnn1CC[NH+](C)C	ZINC000907340886	854059241	/nfs/dbraw/zinc/05/92/41/854059241.db2.gz	MSNDAONMVLVQOD-UHFFFAOYSA-N	1	0	357.414	1.594	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1	ZINC000907495752	854264070	/nfs/dbraw/zinc/26/40/70/854264070.db2.gz	VBFZGAYTPWXOAK-UHFFFAOYSA-N	1	0	369.462	1.490	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CC/C=C\c2ccccc2)C[C@H]1OC	ZINC001212150196	862662615	/nfs/dbraw/zinc/66/26/15/862662615.db2.gz	RAQPSSSFLFEQIM-OFIWPEFUSA-N	1	0	369.465	1.045	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C	ZINC000908459272	855443609	/nfs/dbraw/zinc/44/36/09/855443609.db2.gz	DUEKMHDAZDNMEW-YOEHRIQHSA-N	1	0	367.519	1.281	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C	ZINC000908460468	855445423	/nfs/dbraw/zinc/44/54/23/855445423.db2.gz	UPNCLSBTIDQNQT-WMLDXEAASA-N	1	0	367.519	1.424	20	30		FDEDRO
C=C(C)Cn1c(-c2cccnn2)nnc1N1CC[NH+](CCOC(C)C)CC1	ZINC000909308264	856422511	/nfs/dbraw/zinc/42/25/11/856422511.db2.gz	CJQFQGURFVWLFW-UHFFFAOYSA-N	1	0	371.489	1.858	20	30		FDEDRO
CC(C)(C(=O)NCC(=O)NCC[NH+]1CCCCC1)c1cc(F)cc(C#N)c1	ZINC000909314477	856432361	/nfs/dbraw/zinc/43/23/61/856432361.db2.gz	FQVZWRLVIMLXTR-UHFFFAOYSA-N	1	0	374.460	1.693	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)Cc2cc(C#N)cs2)C[C@@H]1C	ZINC000910662090	857474080	/nfs/dbraw/zinc/47/40/80/857474080.db2.gz	HIKHRVVDIZOCNH-DZGCQCFKSA-N	1	0	362.499	1.909	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1	ZINC000669321920	862929614	/nfs/dbraw/zinc/92/96/14/862929614.db2.gz	YLYLCLSTVMOBOC-INIZCTEOSA-N	1	0	374.485	1.432	20	30		FDEDRO
CC(C)[N@H+](CCO)CC1CCN(C(=O)COc2cccc(C#N)c2)CC1	ZINC000910859125	857789118	/nfs/dbraw/zinc/78/91/18/857789118.db2.gz	HYPKPEWEVNTHMG-UHFFFAOYSA-N	1	0	359.470	1.878	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1)c1ccc(C#N)cc1	ZINC000911133036	858197060	/nfs/dbraw/zinc/19/70/60/858197060.db2.gz	DMFJMPMREDCJSW-LEWSCRJBSA-N	1	0	368.359	1.474	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c(F)c1	ZINC000911171161	858280891	/nfs/dbraw/zinc/28/08/91/858280891.db2.gz	FCSRYLOZJAEZIO-AAEUAGOBSA-N	1	0	372.322	1.052	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1	ZINC000911350284	858500956	/nfs/dbraw/zinc/50/09/56/858500956.db2.gz	DZKKOUYQWZZXRN-OAHLLOKOSA-N	1	0	351.491	1.451	20	30		FDEDRO
C=CCn1cccc1C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000488838457	858822635	/nfs/dbraw/zinc/82/26/35/858822635.db2.gz	MGKVVRBRKDIYQK-UHFFFAOYSA-N	1	0	354.454	1.896	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)[C@@H]3[NH2+]CC[C@@H]4CCCC[C@H]34)CC2)c1	ZINC000911637986	858842682	/nfs/dbraw/zinc/84/26/82/858842682.db2.gz	ZLHKGFLYTJTGGJ-JENIJYKNSA-N	1	0	353.470	1.770	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c(OC)c1	ZINC000488864669	858850592	/nfs/dbraw/zinc/85/05/92/858850592.db2.gz	ZHDCLUZHTPHXCE-SFHVURJKSA-N	1	0	374.481	1.983	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)Nc1ccc(C(=O)N=[S@@](C)(=O)N(C)C)cc1	ZINC000912595568	859928303	/nfs/dbraw/zinc/92/83/03/859928303.db2.gz	SJSRSHPUXRTCBD-RUZDIDTESA-N	1	0	366.487	1.848	20	30		FDEDRO
CC(C)Oc1ccc([C@H](CNC(=O)Cn2cnc(C#N)n2)[NH+](C)C)cc1	ZINC000489963596	860209608	/nfs/dbraw/zinc/20/96/08/860209608.db2.gz	KCETVOCQGOMPHH-INIZCTEOSA-N	1	0	356.430	1.356	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)C[C@@H]1CCCOC1	ZINC000669034059	860848802	/nfs/dbraw/zinc/84/88/02/860848802.db2.gz	HGPZOTRKZXDZBH-BBWFWOEESA-N	1	0	361.490	1.863	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCN(C(C)=O)C[C@@H]1C	ZINC000669033321	860874711	/nfs/dbraw/zinc/87/47/11/860874711.db2.gz	MDAZYRNZGSVYAE-UAGQMJEPSA-N	1	0	374.489	1.057	20	30		FDEDRO
C=CCn1c(-c2cn(C)nn2)nnc1N1CCC(C[NH+]2CCCC2)CC1	ZINC000669039541	860924345	/nfs/dbraw/zinc/92/43/45/860924345.db2.gz	OISVUEJBCVQHMV-UHFFFAOYSA-N	1	0	356.478	1.572	20	30		FDEDRO
CCC(=O)NCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccccc2C#N)C1	ZINC001112286476	863114076	/nfs/dbraw/zinc/11/40/76/863114076.db2.gz	UNZPUTTXQOMHMI-RXVVDRJESA-N	1	0	368.481	1.803	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H]2CCCOC2)C1	ZINC001112101577	863303105	/nfs/dbraw/zinc/30/31/05/863303105.db2.gz	SZRVSWFPKCVQES-RBSFLKMASA-N	1	0	362.392	1.432	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C(CC)CC)C[C@H]1C	ZINC001105850383	863488049	/nfs/dbraw/zinc/48/80/49/863488049.db2.gz	PKZLHQKTSRBUHB-IIAWOOMASA-N	1	0	366.506	1.507	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]Cc1nnc(C2CC2)n1C	ZINC001105848223	863493779	/nfs/dbraw/zinc/49/37/79/863493779.db2.gz	QHWIIVPESHKQNV-TZMCWYRMSA-N	1	0	362.503	1.133	20	30		FDEDRO
CCSCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CCC#N)[C@H](C)C1	ZINC001105872153	863579122	/nfs/dbraw/zinc/57/91/22/863579122.db2.gz	WOJRGSWJSIQFJO-HZPDHXFCSA-N	1	0	368.547	1.576	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@H]2C[N@@H+](Cc3cn(C)nc3C)C[C@@]2(C)C1	ZINC001101190418	864070741	/nfs/dbraw/zinc/07/07/41/864070741.db2.gz	DVMCJKVRJSLLGB-QUCCMNQESA-N	1	0	360.502	1.992	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cscn2)C[C@H]1C	ZINC001105930356	864081707	/nfs/dbraw/zinc/08/17/07/864081707.db2.gz	SGVWFKPOMKFICE-HUUCEWRRSA-N	1	0	364.515	1.865	20	30		FDEDRO
CC(=NN[C@H]1CCS(=O)(=O)C1)c1ccc(O)c(C[NH+]2CCCCC2)c1	ZINC000916540646	881726115	/nfs/dbraw/zinc/72/61/15/881726115.db2.gz	IVQSJVNCKXVSBM-KRWDZBQOSA-N	1	0	365.499	1.879	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)Cc2ccco2)[C@H](C)C1	ZINC001105937629	864129980	/nfs/dbraw/zinc/12/99/80/864129980.db2.gz	CPPVATDUWODCCC-HZPDHXFCSA-N	1	0	363.458	1.125	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1	ZINC000761115270	864147780	/nfs/dbraw/zinc/14/77/80/864147780.db2.gz	ZCHTYJHWKOHEET-OAHLLOKOSA-N	1	0	356.426	1.462	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)[C@H](C)C1	ZINC001105941598	864150564	/nfs/dbraw/zinc/15/05/64/864150564.db2.gz	DELZMKSGIBIPAO-SUMDDJOVSA-N	1	0	364.461	1.616	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C2CC2)C2CC2)[C@H](C)C1	ZINC001105942912	864163094	/nfs/dbraw/zinc/16/30/94/864163094.db2.gz	PZGPMTJFZIXCCV-RHSMWYFYSA-N	1	0	363.502	1.178	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCc3ccccc32)[C@H](C)C1	ZINC001105951301	864209084	/nfs/dbraw/zinc/20/90/84/864209084.db2.gz	AKDUTFOVPZFWKJ-JFIYKMOQSA-N	1	0	368.481	1.810	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCc2ccsc2)[C@H](C)C1	ZINC001105951375	864210796	/nfs/dbraw/zinc/21/07/96/864210796.db2.gz	DPRWZCQHFABXDX-IIAWOOMASA-N	1	0	362.499	1.251	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCc3ccccc3C2)[C@H](C)C1	ZINC001105952332	864213282	/nfs/dbraw/zinc/21/32/82/864213282.db2.gz	VSDHYZQJXQDWNU-GPMSIDNRSA-N	1	0	368.481	1.415	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]CCNC(=O)NC(C)C)[C@H](C)C1	ZINC001105982389	864334709	/nfs/dbraw/zinc/33/47/09/864334709.db2.gz	PKODIBVRKMTFNO-IAGOWNOFSA-N	1	0	368.522	1.361	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC2CC2)[C@H](C)C1	ZINC001105984347	864340994	/nfs/dbraw/zinc/34/09/94/864340994.db2.gz	GKBSYZWYAILJMA-OWCLPIDISA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C2CC2)[C@H](C)C1	ZINC001105987554	864364442	/nfs/dbraw/zinc/36/44/42/864364442.db2.gz	KOVCEQOUQPMEDK-HUUCEWRRSA-N	1	0	362.478	1.175	20	30		FDEDRO
CCC[C@@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC001105989318	864382823	/nfs/dbraw/zinc/38/28/23/864382823.db2.gz	XMBGWWMQCITZKC-IIAWOOMASA-N	1	0	359.474	1.489	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3cccc(OC)c3)C2)CC1	ZINC000916575326	881764781	/nfs/dbraw/zinc/76/47/81/881764781.db2.gz	MRZHWHSNWGYEFL-KRWDZBQOSA-N	1	0	356.470	1.671	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1CN([C@H](C)C(=O)N(CC)CC(=C)C)C[C@H]1OC	ZINC001212184780	864526837	/nfs/dbraw/zinc/52/68/37/864526837.db2.gz	HHIPJOMOYWXCFD-KZNAEPCWSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C=C2CCC2)C[C@H]1C	ZINC001106002553	864536996	/nfs/dbraw/zinc/53/69/96/864536996.db2.gz	XQCJJOXQEZKEJC-IJEWVQPXSA-N	1	0	362.474	1.181	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106004985	864558823	/nfs/dbraw/zinc/55/88/23/864558823.db2.gz	BXLCTNNEVCDATE-KBAYOESNSA-N	1	0	371.456	1.388	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc3c(c2)COC3)[C@H](C)C1	ZINC001106029182	864875578	/nfs/dbraw/zinc/87/55/78/864875578.db2.gz	KEIGRCPWVKXWKR-DNVCBOLYSA-N	1	0	369.465	1.040	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2sc(C)nc2C)[C@H](C)C1	ZINC001106029233	864877576	/nfs/dbraw/zinc/87/75/76/864877576.db2.gz	MAYRYPPJOFPUBS-IUODEOHRSA-N	1	0	362.499	1.084	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]CCCOc2ccccc2)[C@H](C)C1	ZINC001106035314	864916484	/nfs/dbraw/zinc/91/64/84/864916484.db2.gz	SDDZKKICELYLOY-QZTJIDSGSA-N	1	0	371.481	1.279	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+][C@H](CC)c2ccccc2)[C@H](C)C1	ZINC001106033507	864923732	/nfs/dbraw/zinc/92/37/32/864923732.db2.gz	UKBOWJGJMZMRPJ-BHIYHBOVSA-N	1	0	355.482	1.961	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2cccc(F)c2)[C@H](C)C1	ZINC001106033589	864925040	/nfs/dbraw/zinc/92/50/40/864925040.db2.gz	YBLXYACEWYHBFZ-HLLBOEOZSA-N	1	0	359.445	1.710	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1C	ZINC001106056559	865045302	/nfs/dbraw/zinc/04/53/02/865045302.db2.gz	WLZUDDGAEQIJTQ-DGCLKSJQSA-N	1	0	355.280	1.555	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC[NH+](C)CC2)cc1	ZINC001004872577	881830402	/nfs/dbraw/zinc/83/04/02/881830402.db2.gz	FCWDGGRRFNXUEV-AQNXPRMDSA-N	1	0	365.477	1.871	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COCc2ccco2)[C@H](C)C1	ZINC001106057274	865061442	/nfs/dbraw/zinc/06/14/42/865061442.db2.gz	ZDEHWDHJKIGZCD-KZNAEPCWSA-N	1	0	362.470	1.645	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2c(C)nn(C)c2Cl)[C@H](C)C1	ZINC001106059455	865070434	/nfs/dbraw/zinc/07/04/34/865070434.db2.gz	VEZVAHIZXAHATN-RVZJWNSFSA-N	1	0	368.909	1.893	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2noc3c2COCC3)[C@H](C)C1	ZINC001106065138	865105167	/nfs/dbraw/zinc/10/51/67/865105167.db2.gz	QUYURAJEVFPCON-LPMFXHHGSA-N	1	0	363.458	1.259	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CCCN2CCCC2=O)[C@H](C)C1	ZINC001106064787	865109174	/nfs/dbraw/zinc/10/91/74/865109174.db2.gz	IEKOBKIRDNQBGA-MDZRGWNJSA-N	1	0	351.491	1.010	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)Nc2nccs2)[C@H](C)C1	ZINC001106064773	865109490	/nfs/dbraw/zinc/10/94/90/865109490.db2.gz	HYXPGKJUKLCZPV-RBSFLKMASA-N	1	0	362.499	1.958	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]CCc2nnn(C(C)(C)C)n2)[C@H](C)C1	ZINC001106066186	865123498	/nfs/dbraw/zinc/12/34/98/865123498.db2.gz	XPZUZDCRADIJKQ-HZPDHXFCSA-N	1	0	360.506	1.458	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)COCC(F)(F)F)[C@H](C)C1	ZINC001106066154	865123559	/nfs/dbraw/zinc/12/35/59/865123559.db2.gz	WEJJWVZNYAKKPG-KFWWJZLASA-N	1	0	364.408	1.414	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccc(C)[nH]c3=O)[C@H]2C)C1=O	ZINC001088883199	865225186	/nfs/dbraw/zinc/22/51/86/865225186.db2.gz	CABOBIHHXGJGQF-KBMXLJTQSA-N	1	0	358.442	1.075	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](F)CCCCCC)C[C@H]1C	ZINC001106875020	881863415	/nfs/dbraw/zinc/86/34/15/881863415.db2.gz	CZDSAZQHXVXWIZ-BRWVUGGUSA-N	1	0	353.482	1.728	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(OC)c3)[C@@H]2C)nn1	ZINC001088907462	865374685	/nfs/dbraw/zinc/37/46/85/865374685.db2.gz	UZOYXYRGRUJBBH-PBHICJAKSA-N	1	0	355.442	1.866	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ncoc2-c2ccon2)C[C@H]1C	ZINC001106883755	881896316	/nfs/dbraw/zinc/89/63/16/881896316.db2.gz	GULGTXWOPSDQHJ-ZIAGYGMSSA-N	1	0	360.414	1.830	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](C[C@H]2CCCOC2)[C@@H]1C	ZINC001088989912	865945943	/nfs/dbraw/zinc/94/59/43/865945943.db2.gz	VSCIPJDCUGHDPK-NUJGCVRESA-N	1	0	357.454	1.713	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC(=O)N2C)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001089012617	866022014	/nfs/dbraw/zinc/02/20/14/866022014.db2.gz	FWFODNJUSBECEC-FHLIZLRMSA-N	1	0	354.454	1.648	20	30		FDEDRO
C#CCCCNC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000174102136	866261565	/nfs/dbraw/zinc/26/15/65/866261565.db2.gz	IVTQQQJZFQVNNE-SFHVURJKSA-N	1	0	356.470	1.597	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3nncn3C2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001089057832	866409869	/nfs/dbraw/zinc/40/98/69/866409869.db2.gz	PUNLQACIWXZFOA-JLSDUUJJSA-N	1	0	364.453	1.491	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C[NH2+]CC#Cc1ccccc1Cl	ZINC001106084344	866433609	/nfs/dbraw/zinc/43/36/09/866433609.db2.gz	JLXNEUJAGDMCMT-GDBMZVCRSA-N	1	0	371.872	1.818	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)Cc1ccccc1	ZINC000535257469	867534886	/nfs/dbraw/zinc/53/48/86/867534886.db2.gz	LQYJNPDBIAKSIG-LJQANCHMSA-N	1	0	364.449	1.577	20	30		FDEDRO
C=CCn1c([C@H](C)CC)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000508845004	867563923	/nfs/dbraw/zinc/56/39/23/867563923.db2.gz	MCYCFEISODKSSV-MRXNPFEDSA-N	1	0	360.506	1.722	20	30		FDEDRO
CCn1ncc(C(=O)N2C[C@@H](C[NH2+]CC#Cc3ccc(F)cc3)[C@H](C)C2)n1	ZINC001106085463	867686365	/nfs/dbraw/zinc/68/63/65/867686365.db2.gz	GPOWDXIZZIKVKP-NVXWUHKLSA-N	1	0	369.444	1.787	20	30		FDEDRO
COc1ccnc(C(=N)Nc2ccc(C(=O)N3CCC([NH3+])CC3)cc2)n1	ZINC001168428387	867722206	/nfs/dbraw/zinc/72/22/06/867722206.db2.gz	QLXDICYEXKXKAA-UHFFFAOYSA-N	1	0	354.414	1.086	20	30		FDEDRO
CC(C)C[C@H](NC(=O)[C@H](C)c1cccc(C#N)c1)C(=O)NCC[NH+](C)C	ZINC000462270208	867897531	/nfs/dbraw/zinc/89/75/31/867897531.db2.gz	IGFPQSFFUCEKQV-QAPCUYQASA-N	1	0	358.486	1.870	20	30		FDEDRO
CNC(=O)NCCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1	ZINC001106090351	867929997	/nfs/dbraw/zinc/92/99/97/867929997.db2.gz	MPYJTDAUQDNSFS-RHSMWYFYSA-N	1	0	357.458	1.061	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)/C=C(/C)CC)C[C@H]1C	ZINC001106097715	868028269	/nfs/dbraw/zinc/02/82/69/868028269.db2.gz	CCFUVLOMOGDGRH-BOROGLOUSA-N	1	0	364.490	1.427	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]CC(=O)N(C)C1CCCCC1	ZINC001106106011	868164170	/nfs/dbraw/zinc/16/41/70/868164170.db2.gz	DDOWJLGTIBVIBP-SJLPKXTDSA-N	1	0	359.514	1.875	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cnnn3C)C[C@H]2CC1	ZINC000946786662	882172698	/nfs/dbraw/zinc/17/26/98/882172698.db2.gz	NRFWRBQNTBADSJ-ATLSCFEFSA-N	1	0	359.474	1.077	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C[NH2+]CC(=O)Nc1nncs1	ZINC001106109685	868304157	/nfs/dbraw/zinc/30/41/57/868304157.db2.gz	QDDPCBXSFXYBMA-CHWSQXEVSA-N	1	0	363.487	1.210	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCCCC2)[C@H](C)C1	ZINC001106111204	868386774	/nfs/dbraw/zinc/38/67/74/868386774.db2.gz	INYSFUBCNWHDBR-KZNAEPCWSA-N	1	0	363.502	1.111	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)c2ccccc2)[C@H](C)C1	ZINC001106111875	868394377	/nfs/dbraw/zinc/39/43/77/868394377.db2.gz	RWXAUTCKKDCZOS-FGTMMUONSA-N	1	0	371.481	1.372	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(CCC)CCC)[C@H](C)C1	ZINC001106111891	868394395	/nfs/dbraw/zinc/39/43/95/868394395.db2.gz	RZEWWLDIYOHOMY-FGTMMUONSA-N	1	0	365.518	1.357	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CCOc2ccccc2F)[C@H](C)C1	ZINC001106116522	868577600	/nfs/dbraw/zinc/57/76/00/868577600.db2.gz	FMARDTQXVWKEOW-BRWVUGGUSA-N	1	0	362.445	1.927	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C(C)(C)C)o2)[C@H](C)C1	ZINC001106116731	868580077	/nfs/dbraw/zinc/58/00/77/868580077.db2.gz	LTIQPUXWHAGVOS-QLFBSQMISA-N	1	0	362.474	1.590	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cccc3c2CCOC3)[C@H](C)C1	ZINC001106117007	868583226	/nfs/dbraw/zinc/58/32/26/868583226.db2.gz	WMJLDOGPUWCBSE-MBOZVWFJSA-N	1	0	370.493	1.982	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H]3CCNC3=O)[C@H](C)C2)cc1	ZINC001106120371	868726242	/nfs/dbraw/zinc/72/62/42/868726242.db2.gz	SZKCYGYLRKWAJF-SUMDDJOVSA-N	1	0	369.465	1.275	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(C)CC)C1	ZINC001112327921	868840443	/nfs/dbraw/zinc/84/04/43/868840443.db2.gz	GRCDAJKANQBNLA-SNRMKQJTSA-N	1	0	351.491	1.010	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)CC1	ZINC000271839735	869254787	/nfs/dbraw/zinc/25/47/87/869254787.db2.gz	VTCQWULEJVXMIF-UHFFFAOYSA-N	1	0	370.453	1.874	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N2CCC(O)(C[NH+](C)C)CC2)c(OC)c1	ZINC000913682761	869392098	/nfs/dbraw/zinc/39/20/98/869392098.db2.gz	VXINOSCIFJVZNZ-UHFFFAOYSA-N	1	0	362.470	1.718	20	30		FDEDRO
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)c1	ZINC000151755815	869449696	/nfs/dbraw/zinc/44/96/96/869449696.db2.gz	HYYCUZBRWJRWDN-QGZVFWFLSA-N	1	0	374.485	1.966	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)CCCC[NH+](C)C)C1	ZINC001060420135	869492223	/nfs/dbraw/zinc/49/22/23/869492223.db2.gz	MFCDEIMUNKOMSJ-KURKYZTESA-N	1	0	365.518	1.664	20	30		FDEDRO
C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C1	ZINC000913760565	869584241	/nfs/dbraw/zinc/58/42/41/869584241.db2.gz	MAFANBUXCSBKAY-LJQANCHMSA-N	1	0	360.433	1.193	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(N(C)C)c2)C[C@@H]1O	ZINC001083853650	882341018	/nfs/dbraw/zinc/34/10/18/882341018.db2.gz	FZIPMRGEOKQDEV-YRPNKDGESA-N	1	0	373.497	1.395	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)CC1	ZINC000913873757	869870062	/nfs/dbraw/zinc/87/00/62/869870062.db2.gz	RRNDBZRMNRTMOW-FQEVSTJZSA-N	1	0	370.497	1.284	20	30		FDEDRO
C=C(C)C[C@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)C(=O)OCC	ZINC000916730594	882349126	/nfs/dbraw/zinc/34/91/26/882349126.db2.gz	IYQAPUXWMBHHDB-KRWDZBQOSA-N	1	0	374.485	1.608	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2cc(OC)c(OC)c(OC)c2)CC1	ZINC000913928427	870019180	/nfs/dbraw/zinc/01/91/80/870019180.db2.gz	NDHIDJSFWZQEGU-UHFFFAOYSA-N	1	0	361.442	1.609	20	30		FDEDRO
C[C@@H]1C[NH+](CCCNC(=O)N2C[C@@H](C)N(CC#N)[C@@H](C)C2)C[C@@H](C)O1	ZINC000913988208	870240357	/nfs/dbraw/zinc/24/03/57/870240357.db2.gz	GYBHCFWPQBWYJP-YYIAUSFCSA-N	1	0	351.495	1.113	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2C)nc1	ZINC000994383164	882443464	/nfs/dbraw/zinc/44/34/64/882443464.db2.gz	HNLDZPOCNLJOIO-SZVBFZGTSA-N	1	0	370.497	1.473	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2C)cn1	ZINC000994386272	882499405	/nfs/dbraw/zinc/49/94/05/882499405.db2.gz	NTMARHAIVGVXFQ-NVXWUHKLSA-N	1	0	368.481	1.372	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCO[C@H]2C(C)C)C[C@H]1C	ZINC001106148622	871387907	/nfs/dbraw/zinc/38/79/07/871387907.db2.gz	WFXIDIDKYPKQKL-YRXWBPOGSA-N	1	0	350.503	1.772	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2csc(C)c2C)C[C@H]1C	ZINC001106172902	871591389	/nfs/dbraw/zinc/59/13/89/871591389.db2.gz	VAWZXNGRJHRGCU-XNRPHZJLSA-N	1	0	361.511	1.801	20	30		FDEDRO
C=CCN1CC[C@H]([NH+]2CCC(OCCN3C[C@@H](C)O[C@H](C)C3)CC2)C1=O	ZINC000499599021	871649760	/nfs/dbraw/zinc/64/97/60/871649760.db2.gz	FORFNVGOPJTEMV-LMMKCTJWSA-N	1	0	365.518	1.364	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2cn(C)nc2COC)[C@H](OC)C1	ZINC001212481261	871942151	/nfs/dbraw/zinc/94/21/51/871942151.db2.gz	JJAANGGJWCDCNC-SJLPKXTDSA-N	1	0	364.490	1.742	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4CC4(C)C)C[C@]3(C)C2)CC1	ZINC000992802400	872338341	/nfs/dbraw/zinc/33/83/41/872338341.db2.gz	MYNMDBQVRQRPRA-FGSXEWAUSA-N	1	0	371.525	1.685	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1	ZINC001003038998	872372398	/nfs/dbraw/zinc/37/23/98/872372398.db2.gz	CMOBDYAQGDBMOD-BZSNNMDCSA-N	1	0	363.502	1.417	20	30		FDEDRO
C[NH+](C)[C@@H](C(=O)N1C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@]2(C)C1)C1CC1	ZINC000992814209	872503457	/nfs/dbraw/zinc/50/34/57/872503457.db2.gz	DSQSYHISHCEKNZ-XAUMDUMWSA-N	1	0	369.469	1.147	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2csc(NC(C)=O)n2)[C@H](OC)C1	ZINC001212502684	872725529	/nfs/dbraw/zinc/72/55/29/872725529.db2.gz	LMZGHWBMXNWCLN-NJZAAPMLSA-N	1	0	366.487	1.885	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1	ZINC001003224205	872810995	/nfs/dbraw/zinc/81/09/95/872810995.db2.gz	DMZPDMITDDSKMW-SJORKVTESA-N	1	0	354.410	1.114	20	30		FDEDRO
CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cc(C#N)ccc1Br	ZINC000922161795	873064059	/nfs/dbraw/zinc/06/40/59/873064059.db2.gz	WQAGFSZSIRAMEM-LBPRGKRZSA-N	1	0	360.277	1.738	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(CNC(=O)C23CC[NH+](CC2)C3)C1	ZINC001003333063	873118275	/nfs/dbraw/zinc/11/82/75/873118275.db2.gz	GWFHSXOBOLORHD-IRXDYDNUSA-N	1	0	361.486	1.028	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc[nH]c2)C3)CC1	ZINC001003330089	873136648	/nfs/dbraw/zinc/13/66/48/873136648.db2.gz	GUNQMNFJNOEDSK-KURKYZTESA-N	1	0	354.454	1.222	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1)[NH+]1CCCCCC1	ZINC000992898962	873141913	/nfs/dbraw/zinc/14/19/13/873141913.db2.gz	NKNPUNRPKHDNFE-LQBOVUBWSA-N	1	0	371.525	1.971	20	30		FDEDRO
C=CCN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3CCO[C@H]3C3CC3)CC2)C1=O	ZINC001003349886	873176511	/nfs/dbraw/zinc/17/65/11/873176511.db2.gz	ATIPMTNTHYNMNT-SQNIBIBYSA-N	1	0	361.486	1.169	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC3(CC3)C2)CC1	ZINC001003365064	873183775	/nfs/dbraw/zinc/18/37/75/873183775.db2.gz	GUOGZKAEONWFNX-QRVBRYPASA-N	1	0	369.509	1.770	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](CC)OC)CC1	ZINC001003363179	873217197	/nfs/dbraw/zinc/21/71/97/873217197.db2.gz	NITURWGJQPTDLE-BDXSIMOUSA-N	1	0	361.486	1.005	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2OCC[C@H]2C)CC1	ZINC001003366133	873245104	/nfs/dbraw/zinc/24/51/04/873245104.db2.gz	UFPNMFYVXKBMHA-DBDQLMEASA-N	1	0	373.497	1.005	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CC2(C)CC2)CC1	ZINC001003366230	873245980	/nfs/dbraw/zinc/24/59/80/873245980.db2.gz	VHKLAQOMPYASJM-KURKYZTESA-N	1	0	357.498	1.770	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[NH+]1CCC(C(=O)N2CCOCC2)CC1	ZINC000265829524	873354937	/nfs/dbraw/zinc/35/49/37/873354937.db2.gz	KHHODGOWBYCWSP-UHFFFAOYSA-N	1	0	373.453	1.516	20	30		FDEDRO
CN1CC[NH+](C2CCN(C(=O)Nc3nc(Cl)c(C#N)s3)CC2)CC1	ZINC000888428330	873391082	/nfs/dbraw/zinc/39/10/82/873391082.db2.gz	UFMQFVQMTZOXHO-UHFFFAOYSA-N	1	0	368.894	1.912	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCCC2(CNc3cncc(C#N)n3)CC2)CC[N@@H+]1C	ZINC001090004995	873427335	/nfs/dbraw/zinc/42/73/35/873427335.db2.gz	BSRXCXADKKCJRQ-JKSUJKDBSA-N	1	0	356.474	1.777	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CC)[C@H](C)C1)OCC	ZINC001106197374	873465960	/nfs/dbraw/zinc/46/59/60/873465960.db2.gz	TXHBXFFLMDAEKU-KURKYZTESA-N	1	0	367.534	1.910	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@@H](O)C1	ZINC001083719234	873509290	/nfs/dbraw/zinc/50/92/90/873509290.db2.gz	VGYRULUHAJEBNL-ZACQAIPSSA-N	1	0	355.910	1.697	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)CC1	ZINC000922194027	873648042	/nfs/dbraw/zinc/64/80/42/873648042.db2.gz	KRXXRELCMSIJGQ-UHFFFAOYSA-N	1	0	370.493	1.881	20	30		FDEDRO
C#CCN(C(=O)NCCOCC(F)(F)C(F)F)C1CC[NH+](C)CC1	ZINC000922205813	873732503	/nfs/dbraw/zinc/73/25/03/873732503.db2.gz	MNTITCGYRYNFJV-UHFFFAOYSA-N	1	0	353.360	1.642	20	30		FDEDRO
C[NH+](C)CCOc1cnccc1CNC(=O)CNc1cccc(C#N)c1	ZINC000494747567	873914058	/nfs/dbraw/zinc/91/40/58/873914058.db2.gz	INHVBTMRHFZSJV-UHFFFAOYSA-N	1	0	353.426	1.622	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)OCC[NH+](CC)CC)ccc1F	ZINC000914456831	873924588	/nfs/dbraw/zinc/92/45/88/873924588.db2.gz	CHDVZIOXCJUSTK-UHFFFAOYSA-N	1	0	358.435	1.789	20	30		FDEDRO
C#CCN(C(=O)NCc1ccc(OC(F)F)cn1)C1CC[NH+](C)CC1	ZINC000922226759	873965025	/nfs/dbraw/zinc/96/50/25/873965025.db2.gz	PHERKUHQCAKARM-UHFFFAOYSA-N	1	0	352.385	1.922	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@]3(C)C2)nc1	ZINC000993072807	874161820	/nfs/dbraw/zinc/16/18/20/874161820.db2.gz	OIECAIKJJYWDNX-BLIXFSHQSA-N	1	0	368.481	1.324	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nccc3cccnc32)C[C@H]1C	ZINC001106265222	874253332	/nfs/dbraw/zinc/25/33/32/874253332.db2.gz	YXVUTKJSDXSXCQ-GDBMZVCRSA-N	1	0	367.453	1.230	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)COCC2CCCC2)C[C@H]1C	ZINC001106269861	874295210	/nfs/dbraw/zinc/29/52/10/874295210.db2.gz	GQBNBPRJSSORNH-JFIYKMOQSA-N	1	0	363.502	1.015	20	30		FDEDRO
CC[C@@]1(C(=O)N2C[C@@H](C[NH2+]CC#Cc3ccccc3)[C@H](C)C2)CCNC1=O	ZINC001106271639	874310373	/nfs/dbraw/zinc/31/03/73/874310373.db2.gz	JSWQGMXCKXZDDI-SFGWALBWSA-N	1	0	367.493	1.639	20	30		FDEDRO
Cc1cc(C(F)F)oc1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106275324	874330648	/nfs/dbraw/zinc/33/06/48/874330648.db2.gz	VGHLJOWUIXKJCQ-VXGBXAGGSA-N	1	0	368.384	1.463	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)S(C)(=O)=O)C[C@H]1C	ZINC001106323884	874780714	/nfs/dbraw/zinc/78/07/14/874780714.db2.gz	BTNKDRVEBCYDRS-ADEWGFFLSA-N	1	0	367.309	1.012	20	30		FDEDRO
C#CCOc1ccccc1C[NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1	ZINC000925419168	874804910	/nfs/dbraw/zinc/80/49/10/874804910.db2.gz	BSWDQAIMYXWTKP-HNNXBMFYSA-N	1	0	350.484	1.848	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@H]1C	ZINC001106343437	874854045	/nfs/dbraw/zinc/85/40/45/874854045.db2.gz	DQFOMEGWWPLBPN-NVXWUHKLSA-N	1	0	356.532	1.852	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ncccc2CC)C[C@H]1C	ZINC001106350717	874870139	/nfs/dbraw/zinc/87/01/39/874870139.db2.gz	QSYMCFUIABOAQI-BFYDXBDKSA-N	1	0	356.470	1.080	20	30		FDEDRO
C=CCN1CC(=O)N(CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1=O	ZINC000761952873	874877449	/nfs/dbraw/zinc/87/74/49/874877449.db2.gz	ZLKGTVDBPORVGG-UHFFFAOYSA-N	1	0	350.463	1.063	20	30		FDEDRO
CC(C)C[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CSCC#N)[C@@H](n2ccnn2)C1	ZINC001128724166	882880831	/nfs/dbraw/zinc/88/08/31/882880831.db2.gz	SUTHFVNCWOPWEZ-XHSDSOJGSA-N	1	0	364.519	1.559	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)CC3(C)CC3)C[C@]2(C)C1	ZINC000993152702	875018429	/nfs/dbraw/zinc/01/84/29/875018429.db2.gz	BLXTYXOYJCAMAB-XGHQBKJUSA-N	1	0	357.498	1.581	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2snnc2CC)C[C@H]1C	ZINC001106390749	875051831	/nfs/dbraw/zinc/05/18/31/875051831.db2.gz	BGKQNQBUCDJYMY-FRRDWIJNSA-N	1	0	365.503	1.089	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@]3(C)C2)C1	ZINC000993161641	875196206	/nfs/dbraw/zinc/19/62/06/875196206.db2.gz	ZBGLPYIISBBFCF-QEEYODRMSA-N	1	0	369.469	1.149	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(Cn3ccnn3)o2)C[C@H]1C	ZINC001106461807	875476114	/nfs/dbraw/zinc/47/61/14/875476114.db2.gz	NWBONSMXGFNVPM-TZMCWYRMSA-N	1	0	363.849	1.970	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCC2CCC(S(C)(=O)=O)CC2)CC1	ZINC000917093283	882973649	/nfs/dbraw/zinc/97/36/49/882973649.db2.gz	WYCSORHTQYUILC-UHFFFAOYSA-N	1	0	371.547	1.930	20	30		FDEDRO
C[C@@H]1CNC(NN=C2CCOC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)=[NH+]1	ZINC000762433201	875921888	/nfs/dbraw/zinc/92/18/88/875921888.db2.gz	BUKQEYRAEGEISH-IPYPFGDCSA-N	1	0	365.478	1.716	20	30		FDEDRO
C[C@H]1CN(C(=O)CCNC(=O)C2N=CC=CC2=O)CCN1c1cc[nH+]cc1	ZINC000915281931	875931636	/nfs/dbraw/zinc/93/16/36/875931636.db2.gz	BJWHWKKGMVLQCS-JGWKNBOWSA-N	1	0	369.425	1.035	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCOC)[C@H](C)C1	ZINC001106559513	875966541	/nfs/dbraw/zinc/96/65/41/875966541.db2.gz	XYHYSUWSSWQMIE-IAGOWNOFSA-N	1	0	351.491	1.017	20	30		FDEDRO
C#CCN(C(=O)NCCc1ccc(OC)cc1OC)C1CC[NH+](C)CC1	ZINC000915323187	876029424	/nfs/dbraw/zinc/02/94/24/876029424.db2.gz	XJQLVLAGTKMTOO-UHFFFAOYSA-N	1	0	359.470	1.985	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ncccc2F)C[C@H]1C	ZINC001106583139	876032506	/nfs/dbraw/zinc/03/25/06/876032506.db2.gz	MUCXUFARPVQHGX-QLFBSQMISA-N	1	0	362.449	1.138	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C2CCC2)C2CCC2)C[C@H]1C	ZINC001106588220	876041546	/nfs/dbraw/zinc/04/15/46/876041546.db2.gz	LSPGYMUESMSWDH-CRAIPNDOSA-N	1	0	359.514	1.636	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NC)[C@H](C)C2)CC1	ZINC001106628539	876270742	/nfs/dbraw/zinc/27/07/42/876270742.db2.gz	OSPUQDSZJQVLQV-IIAWOOMASA-N	1	0	364.490	1.261	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCOCC2)[C@H](C)C1	ZINC001106629259	876277249	/nfs/dbraw/zinc/27/72/49/876277249.db2.gz	HVNOUQXSHOZALG-JXXFODFXSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCOC)[C@H](C)C1	ZINC001106629426	876277348	/nfs/dbraw/zinc/27/73/48/876277348.db2.gz	KYQDUUANFRXYMT-GPMSIDNRSA-N	1	0	353.507	1.426	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2occc2Cl)C[C@H]1C	ZINC001106634383	876289264	/nfs/dbraw/zinc/28/92/64/876289264.db2.gz	DHQCZTFISUCLSU-FRRDWIJNSA-N	1	0	353.850	1.921	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2CCC)C[C@H]1C	ZINC001106639817	876332220	/nfs/dbraw/zinc/33/22/20/876332220.db2.gz	LAEVQVAJVACYPJ-KLHDSHLOSA-N	1	0	364.490	1.119	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(Cl)[nH]2)C[C@H]1C	ZINC001106644483	876353107	/nfs/dbraw/zinc/35/31/07/876353107.db2.gz	VVZAXXHHQPWNPO-JHJVBQTASA-N	1	0	350.850	1.104	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccnc(OCC)c2)C[C@H]1C	ZINC001106651658	876392364	/nfs/dbraw/zinc/39/23/64/876392364.db2.gz	VWMHCCINIIOWPD-GDBMZVCRSA-N	1	0	360.458	1.080	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3c(C)ncc3C2)C[C@H]1C	ZINC001106667355	876483095	/nfs/dbraw/zinc/48/30/95/876483095.db2.gz	VWSKBZLYIVTJNI-BPQIPLTHSA-N	1	0	358.486	1.088	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(CF)CCOCC2)C[C@H]1C	ZINC001106667164	876483130	/nfs/dbraw/zinc/48/31/30/876483130.db2.gz	LKXVVWSAMPRNPH-OWCLPIDISA-N	1	0	369.481	1.128	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1C	ZINC001106677923	876526067	/nfs/dbraw/zinc/52/60/67/876526067.db2.gz	OQQWZJYMUBFKIY-ZYHUDNBSSA-N	1	0	356.268	1.330	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc3c2OCC3)C[C@H]1C	ZINC001106690146	876582553	/nfs/dbraw/zinc/58/25/53/876582553.db2.gz	VANOXELAXWIHGG-BFYDXBDKSA-N	1	0	369.465	1.057	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2[C@H]3CCCCCC[C@H]23)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106699659	876608329	/nfs/dbraw/zinc/60/83/29/876608329.db2.gz	WIDOTBROIQYCHI-NCOADZHNSA-N	1	0	360.502	1.527	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C)[nH]c2=O)C[C@H]1C	ZINC001106702216	876628913	/nfs/dbraw/zinc/62/89/13/876628913.db2.gz	ZWCMSDYHRCVLOR-VHDGCEQUSA-N	1	0	360.458	1.084	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc3cc[nH]c3c2)C[C@H]1C	ZINC001106703709	876673233	/nfs/dbraw/zinc/67/32/33/876673233.db2.gz	VKMRRLVPYUUZJN-IIDMSEBBSA-N	1	0	366.465	1.604	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C[NH2+]CCNC(=O)NC(C)C)[C@H](C)C1	ZINC001106711209	876900263	/nfs/dbraw/zinc/90/02/63/876900263.db2.gz	OIBJLDYGSSHRPO-HZPDHXFCSA-N	1	0	352.523	1.980	20	30		FDEDRO
CC(=O)NCC1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000272347042	876999284	/nfs/dbraw/zinc/99/92/84/876999284.db2.gz	PZQDJVBWUKCVNI-LJQANCHMSA-N	1	0	354.454	1.902	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@@H](Cc2ccccc2)C(=O)OC)CC1	ZINC000917136394	883106192	/nfs/dbraw/zinc/10/61/92/883106192.db2.gz	CMNVFFWMKLTDSZ-QGZVFWFLSA-N	1	0	359.470	1.968	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@](O)(/C=C/OCC)C(F)(F)F)CC1	ZINC000917137066	883109365	/nfs/dbraw/zinc/10/93/65/883109365.db2.gz	KIPCDRWQPUWMPZ-XKOZXHHJSA-N	1	0	365.396	1.780	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2nc(C)ncc2Cl)C[C@H]1C	ZINC001106731066	877234142	/nfs/dbraw/zinc/23/41/42/877234142.db2.gz	FQBCLEMTRQZLTL-TZMCWYRMSA-N	1	0	352.866	1.939	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2cscn2)[C@H](C)C1	ZINC001106733750	877276337	/nfs/dbraw/zinc/27/63/37/877276337.db2.gz	GGFHWJKQIYGBGM-UNEWFSDZSA-N	1	0	364.515	1.798	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCc2nc(C3CC3)no2)C[C@H]1C	ZINC001106741236	877400544	/nfs/dbraw/zinc/40/05/44/877400544.db2.gz	FYLLQZNZUCHMMW-GDBMZVCRSA-N	1	0	360.458	1.214	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CC[C@]2(C1)CN(Cc1ccccc1)C[C@H](C)O2	ZINC000922297919	877404173	/nfs/dbraw/zinc/40/41/73/877404173.db2.gz	CWTGKCVOHCQFRN-GHTZIAJQSA-N	1	0	357.498	1.996	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]CCOCC3CCC3)[C@H](C)C2)nn1	ZINC001106743872	877427516	/nfs/dbraw/zinc/42/75/16/877427516.db2.gz	XDKHOWWEVOTRFV-NVXWUHKLSA-N	1	0	361.490	1.579	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2sc(CC)nc2C)C[C@H]1C	ZINC001106756378	877575444	/nfs/dbraw/zinc/57/54/44/877575444.db2.gz	WXOPHWMEEGJXNK-TZMCWYRMSA-N	1	0	364.515	1.614	20	30		FDEDRO
N#Cc1ccc(Br)c(C[NH2+]C[C@]23COC(=O)N2CCOC3)c1	ZINC000922317633	877575963	/nfs/dbraw/zinc/57/59/63/877575963.db2.gz	JLSOPJQECPNUOG-HNNXBMFYSA-N	1	0	366.215	1.632	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CNc2[nH]nc(N3CCOCC3)c2C#N)cc1	ZINC000922360166	877906775	/nfs/dbraw/zinc/90/67/75/877906775.db2.gz	PVICRHAMTGODFE-UHFFFAOYSA-N	1	0	370.457	1.670	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1C	ZINC001106790753	877935530	/nfs/dbraw/zinc/93/55/30/877935530.db2.gz	PTBLDVHMKMFBTF-HZPDHXFCSA-N	1	0	359.474	1.199	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC1CC[NH+](CC2CC2)CC1	ZINC000194231438	878088331	/nfs/dbraw/zinc/08/83/31/878088331.db2.gz	NIIFNZIBPTZZHV-UHFFFAOYSA-N	1	0	356.470	1.787	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(CC)CCOCC2)C[C@H]1C	ZINC001106808518	878102094	/nfs/dbraw/zinc/10/20/94/878102094.db2.gz	RBZVZGDCRQYWKJ-IXDOHACOSA-N	1	0	363.502	1.015	20	30		FDEDRO
CC[NH+](CC)CCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000272662460	878277537	/nfs/dbraw/zinc/27/75/37/878277537.db2.gz	NHPOCWTVPJMYPW-QGZVFWFLSA-N	1	0	357.458	1.695	20	30		FDEDRO
COc1cccc(N2C[C@@H]([NH2+]C[C@H](O)c3ccc(C#N)cc3)CC2=O)c1	ZINC000763242802	878301467	/nfs/dbraw/zinc/30/14/67/878301467.db2.gz	WRJJHGKESDBSOU-LPHOPBHVSA-N	1	0	351.406	1.995	20	30		FDEDRO
CN1C[C@H](CC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1=O	ZINC000922486203	878317677	/nfs/dbraw/zinc/31/76/77/878317677.db2.gz	GTEBUIWVNBJIHZ-OAHLLOKOSA-N	1	0	352.442	1.817	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(CCC)on2)C[C@H]1C	ZINC001106823779	878397791	/nfs/dbraw/zinc/39/77/91/878397791.db2.gz	XXEKDCJCWQIWBT-RBSFLKMASA-N	1	0	360.458	1.063	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O	ZINC000922511679	878421515	/nfs/dbraw/zinc/42/15/15/878421515.db2.gz	JOPHXRLKILYHDK-CQSZACIVSA-N	1	0	366.259	1.936	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1	ZINC000673594475	878784356	/nfs/dbraw/zinc/78/43/56/878784356.db2.gz	OYNDVLGWKNRGAT-GOSISDBHSA-N	1	0	365.518	1.666	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC(=O)Nc4ccccc43)[C@H]2C1	ZINC001083157525	912386010	/nfs/dbraw/zinc/38/60/10/912386010.db2.gz	BHOKYAWSUIYTOZ-RYQLBKOJSA-N	1	0	355.438	1.600	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)C1	ZINC001033084031	878827093	/nfs/dbraw/zinc/82/70/93/878827093.db2.gz	DSCWSKXZVLYMIB-FHLIZLRMSA-N	1	0	354.454	1.506	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CC(c2nc(-c3ccccc3)no2)C1	ZINC000922629502	878850521	/nfs/dbraw/zinc/85/05/21/878850521.db2.gz	LKIUAPFHPQAWRN-UHFFFAOYSA-N	1	0	353.426	1.801	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1C[NH2+]CC(=O)NCC(=O)NCc1ccccc1	ZINC000922766192	879221097	/nfs/dbraw/zinc/22/10/97/879221097.db2.gz	MNTYOLVTERJARC-UHFFFAOYSA-N	1	0	364.449	1.697	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)c3ccc(C)o3)[C@H](C)C2)CC1	ZINC000993719825	879290573	/nfs/dbraw/zinc/29/05/73/879290573.db2.gz	FAMCEAUUCFHRRV-CRAIPNDOSA-N	1	0	371.481	1.758	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)n2cnc3ccccc32)C[C@H]1C	ZINC001106830720	879345840	/nfs/dbraw/zinc/34/58/40/879345840.db2.gz	WJZXBTVGXZNMEC-KZNAEPCWSA-N	1	0	368.481	1.931	20	30		FDEDRO
C=CCOc1c(Cl)cc(C[NH2+]C[C@H](O)CS(C)(=O)=O)cc1OC	ZINC000922825168	879384691	/nfs/dbraw/zinc/38/46/91/879384691.db2.gz	HCBYDDFBDGUUPW-LBPRGKRZSA-N	1	0	363.863	1.409	20	30		FDEDRO
CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1	ZINC001004416123	879451727	/nfs/dbraw/zinc/45/17/27/879451727.db2.gz	FDAHRQQIAWEYCL-KYJSFNMBSA-N	1	0	352.438	1.423	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)c(OC)c1	ZINC000280690104	879493033	/nfs/dbraw/zinc/49/30/33/879493033.db2.gz	HNQBERLRLWSWBH-HYVNUMGLSA-N	1	0	363.454	1.904	20	30		FDEDRO
C[C@H]1CN(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C[C@H](C)N1CC#N	ZINC000922878689	879574400	/nfs/dbraw/zinc/57/44/00/879574400.db2.gz	RTHHCSQMBDTVOF-CAMMJAKZSA-N	1	0	370.501	1.702	20	30		FDEDRO
C#CCN(C(=O)NCc1nccc(C(F)(F)F)n1)C1CC[NH+](C)CC1	ZINC000922881597	879589490	/nfs/dbraw/zinc/58/94/90/879589490.db2.gz	KONKUSOPNDMZTL-UHFFFAOYSA-N	1	0	355.364	1.734	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1	ZINC001004540727	879828546	/nfs/dbraw/zinc/82/85/46/879828546.db2.gz	IXWCQZVIDNHPJZ-SQNIBIBYSA-N	1	0	363.502	1.273	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)[C@H](C)C1	ZINC000993843337	879876737	/nfs/dbraw/zinc/87/67/37/879876737.db2.gz	QFCXAYJISUJWMZ-BRWVUGGUSA-N	1	0	358.486	1.593	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC#CC)CC2(CCOCC2)C1	ZINC001089941342	912528080	/nfs/dbraw/zinc/52/80/80/912528080.db2.gz	HALBZLHUXGQHBG-OTWHNJEPSA-N	1	0	360.498	1.978	20	30		FDEDRO
C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC000993915394	880136450	/nfs/dbraw/zinc/13/64/50/880136450.db2.gz	YZDOWRYJPXGDNR-GDBMZVCRSA-N	1	0	369.469	1.339	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)C1	ZINC000993917356	880142708	/nfs/dbraw/zinc/14/27/08/880142708.db2.gz	DEUBFQDIDPDTBK-IIAWOOMASA-N	1	0	357.458	1.052	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCCN(CC(F)F)C3)[C@H]2C1	ZINC001083177224	912550960	/nfs/dbraw/zinc/55/09/60/912550960.db2.gz	NOIGYSZNSOJMFG-YESZJQIVSA-N	1	0	371.472	1.841	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC(=O)NCC2CC2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001106855520	881112529	/nfs/dbraw/zinc/11/25/29/881112529.db2.gz	FWDJTYOENCUXHS-DNVCBOLYSA-N	1	0	368.481	1.659	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(CC)on1)C2	ZINC001004720689	881121180	/nfs/dbraw/zinc/12/11/80/881121180.db2.gz	CFVLVAOZLLFUFI-WCZJQEMASA-N	1	0	370.453	1.196	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3ccco3)[C@@H](O)C2)s1	ZINC001083794697	912651699	/nfs/dbraw/zinc/65/16/99/912651699.db2.gz	JAEZMUBOWRHLMR-FPCVCCKLSA-N	1	0	357.435	1.678	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C(C)C)[NH+](C)C)nc1	ZINC001004742222	881188888	/nfs/dbraw/zinc/18/88/88/881188888.db2.gz	LSMANRFVLUSLLA-YSHGAJCASA-N	1	0	368.481	1.511	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@H+]2CC[C@@H](C)C2)cn1	ZINC001004749233	881202382	/nfs/dbraw/zinc/20/23/82/881202382.db2.gz	UQVBCLAHEBYSDF-AXUOBQJMSA-N	1	0	366.465	1.266	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC(C)(C)Cc1ccc(C#N)cc1	ZINC000917223669	883226239	/nfs/dbraw/zinc/22/62/39/883226239.db2.gz	LVYPECSBJZYIBL-INIZCTEOSA-N	1	0	357.502	1.814	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(C)nn2C)[C@@H](n2ccnn2)C1	ZINC001128759555	883257714	/nfs/dbraw/zinc/25/77/14/883257714.db2.gz	YPUXGCNZZIBIAJ-UXLLHSPISA-N	1	0	357.462	1.330	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1	ZINC000999405027	912714858	/nfs/dbraw/zinc/71/48/58/912714858.db2.gz	FFSBBYNFOCXCRR-KKXDTOCCSA-N	1	0	361.417	1.582	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1	ZINC000917536042	883528877	/nfs/dbraw/zinc/52/88/77/883528877.db2.gz	MAFOISRJOWWHEZ-UHFFFAOYSA-N	1	0	355.435	1.211	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCCCCF)C[C@@H]1n1ccnn1	ZINC001128784254	883600341	/nfs/dbraw/zinc/60/03/41/883600341.db2.gz	AEKONMSDOKREFR-BBWFWOEESA-N	1	0	367.469	1.741	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2CCCN(c3cc(C)nc(C)n3)C2)CC1	ZINC000917637993	883607295	/nfs/dbraw/zinc/60/72/95/883607295.db2.gz	VILGNLCQGHTDRL-SFHVURJKSA-N	1	0	370.501	1.459	20	30		FDEDRO
CCN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)C1	ZINC001033960664	883631255	/nfs/dbraw/zinc/63/12/55/883631255.db2.gz	ZBBXPLBQGRRDEA-NXHRZFHOSA-N	1	0	370.453	1.133	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)COC)[C@@H](n2ccnn2)C1	ZINC001128806683	883687244	/nfs/dbraw/zinc/68/72/44/883687244.db2.gz	BWPHCAPZMQLTIJ-BBWFWOEESA-N	1	0	351.495	1.873	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H](n2ccnn2)C1	ZINC001128839059	883818091	/nfs/dbraw/zinc/81/80/91/883818091.db2.gz	UGGSDVFQFQOGRE-SJORKVTESA-N	1	0	357.462	1.332	20	30		FDEDRO
C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1	ZINC001034246600	883973519	/nfs/dbraw/zinc/97/35/19/883973519.db2.gz	GYODOXVGSPXOPL-ZHALLVOQSA-N	1	0	358.486	1.975	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1n1ccnn1	ZINC001128908443	884053535	/nfs/dbraw/zinc/05/35/35/884053535.db2.gz	YIJXZOGZBHOWPZ-KURKYZTESA-N	1	0	359.474	1.240	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1n1ccnn1	ZINC001128914370	884102819	/nfs/dbraw/zinc/10/28/19/884102819.db2.gz	WJCGNNMLFRULMU-MSOLQXFVSA-N	1	0	359.474	1.240	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2c(C)ccn2C)[C@@H](n2ccnn2)C1	ZINC001128929274	884145445	/nfs/dbraw/zinc/14/54/45/884145445.db2.gz	FDTHUOFSEAOLIC-ZACQAIPSSA-N	1	0	356.474	1.935	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)C[C@@H]1n1ccnn1	ZINC001128939647	884185610	/nfs/dbraw/zinc/18/56/10/884185610.db2.gz	VZTBPMYHNRJJCB-OAGGEKHMSA-N	1	0	365.428	1.859	20	30		FDEDRO
C=CCCCNC(=O)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1	ZINC000675101717	884252544	/nfs/dbraw/zinc/25/25/44/884252544.db2.gz	NMUZEHWLQUTETR-UHFFFAOYSA-N	1	0	350.507	1.086	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@H]1C	ZINC001106891143	884294318	/nfs/dbraw/zinc/29/43/18/884294318.db2.gz	XDBNECLLTMDKNM-DGCLKSJQSA-N	1	0	368.275	1.592	20	30		FDEDRO
NC(COc1ccc(F)cc1)=NOCC(=O)NC1CC[NH+](C2CC2)CC1	ZINC000154731154	884526804	/nfs/dbraw/zinc/52/68/04/884526804.db2.gz	XGBONFAQXAJXAQ-UHFFFAOYSA-N	1	0	364.421	1.236	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001128976257	884544767	/nfs/dbraw/zinc/54/47/67/884544767.db2.gz	MBUIYZVGCMPZOO-UHOSZYNNSA-N	1	0	367.453	1.167	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCN2CCNC2=O)CC1	ZINC001034648647	884617094	/nfs/dbraw/zinc/61/70/94/884617094.db2.gz	MCNHCQBUQUVBOD-VQHPVUNQSA-N	1	0	364.490	1.010	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1C[N@@H+]([C@H]2CCc3ccccc32)C[C@@H]1n1ccnn1	ZINC001128985147	884707597	/nfs/dbraw/zinc/70/75/97/884707597.db2.gz	IFYRYXILCCWNEP-AABGKKOBSA-N	1	0	361.449	1.721	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)C2(c3ccccn3)CC2)[C@@H](n2ccnn2)C1	ZINC001128985816	884734660	/nfs/dbraw/zinc/73/46/60/884734660.db2.gz	VIXPOJKFLBYIPY-SJORKVTESA-N	1	0	366.469	1.713	20	30		FDEDRO
COc1cccc(N2CC[NH+](CCSCC(=O)NCCC#N)CC2)c1	ZINC000918745587	884906022	/nfs/dbraw/zinc/90/60/22/884906022.db2.gz	OPNWNISOSBHUQJ-UHFFFAOYSA-N	1	0	362.499	1.580	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)SCC[NH+]1CCN(c2cccc(OC)c2)CC1	ZINC000918745447	884906226	/nfs/dbraw/zinc/90/62/26/884906226.db2.gz	LHNXCAYNEXISTH-MRXNPFEDSA-N	1	0	361.511	1.688	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)CC1	ZINC000918774154	884927285	/nfs/dbraw/zinc/92/72/85/884927285.db2.gz	AKVWHVSFBAIMJD-GOSISDBHSA-N	1	0	354.454	1.579	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1	ZINC000670510603	884927574	/nfs/dbraw/zinc/92/75/74/884927574.db2.gz	UIODRKUCVBNKMC-GOSISDBHSA-N	1	0	359.470	1.983	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000918799599	884932249	/nfs/dbraw/zinc/93/22/49/884932249.db2.gz	BXWYMSJTDJRQOG-INIZCTEOSA-N	1	0	364.490	1.783	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1	ZINC000918806811	884943619	/nfs/dbraw/zinc/94/36/19/884943619.db2.gz	DMJFWXGWJNNOIA-GOSISDBHSA-N	1	0	357.454	1.751	20	30		FDEDRO
C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C[C@H](C)N1CC#N	ZINC000918861600	884974272	/nfs/dbraw/zinc/97/42/72/884974272.db2.gz	NRTOXHINNWZWOD-SOLBZPMBSA-N	1	0	363.506	1.258	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@H+](CCC=C)C[C@@H]1n1ccnn1	ZINC001129004343	884984190	/nfs/dbraw/zinc/98/41/90/884984190.db2.gz	PITRSRIQVUQVKF-MSOLQXFVSA-N	1	0	361.490	1.959	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1)OCC	ZINC001129029391	885336653	/nfs/dbraw/zinc/33/66/53/885336653.db2.gz	DLUPDQMZBUCOJX-OWCLPIDISA-N	1	0	353.442	1.351	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cnc(C)o2)[C@@H](n2ccnn2)C1	ZINC001129043776	885522180	/nfs/dbraw/zinc/52/21/80/885522180.db2.gz	XHPAUMDBTFWQRE-XYPHTWIQSA-N	1	0	358.446	1.513	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](C[C@H](CC)OC)C[C@@H]2n2ccnn2)CCC1	ZINC001129048979	885538655	/nfs/dbraw/zinc/53/86/55/885538655.db2.gz	MVMVGYYNMKTCBW-BBWFWOEESA-N	1	0	359.474	1.238	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)C/C=C/c2ccccc2F)[C@@H](n2ccnn2)C1	ZINC001129065606	885669316	/nfs/dbraw/zinc/66/93/16/885669316.db2.gz	ZSKCEVBOYQXPCX-ZFYPLVIYSA-N	1	0	367.428	1.886	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)c2c(C)noc2C)[C@@H](n2ccnn2)C1	ZINC001129089592	885715977	/nfs/dbraw/zinc/71/59/77/885715977.db2.gz	LEDIFFKYZWQPNM-XYPHTWIQSA-N	1	0	370.457	1.442	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]C[C@@H](O)CC(F)(F)F)[C@H](C)C2)nc1	ZINC001106894654	885765608	/nfs/dbraw/zinc/76/56/08/885765608.db2.gz	QUXRPTFKWCUXSU-YUELXQCFSA-N	1	0	369.387	1.674	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCn3nc(C)cc3C)[C@H](C)C2)nc1	ZINC001106894754	885793171	/nfs/dbraw/zinc/79/31/71/885793171.db2.gz	VBAXKSPNOBBKMC-DNVCBOLYSA-N	1	0	365.481	1.874	20	30		FDEDRO
CCc1ccc([C@@H](O)C[N@@H+]2C[C@@H](NC(=O)C#CC(C)C)[C@H](OC)C2)cc1	ZINC001212241080	885805768	/nfs/dbraw/zinc/80/57/68/885805768.db2.gz	JTMJHMNFZOIHPP-HSALFYBXSA-N	1	0	358.482	1.757	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cn(C(C)C)cn2)[C@@H](n2ccnn2)C1	ZINC001129127952	885821543	/nfs/dbraw/zinc/82/15/43/885821543.db2.gz	ONYWEACRKIHSLQ-WBVHZDCISA-N	1	0	357.462	1.677	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc(CCC)n[nH]2)[C@@H](n2ccnn2)C1	ZINC001129139644	885843729	/nfs/dbraw/zinc/84/37/29/885843729.db2.gz	QMOCIVRTMFRPER-SJORKVTESA-N	1	0	357.462	1.575	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1n1ccnn1	ZINC001129147713	885876427	/nfs/dbraw/zinc/87/64/27/885876427.db2.gz	MTLWVDKRDYYKQG-ZACQAIPSSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC001035419127	885990698	/nfs/dbraw/zinc/99/06/98/885990698.db2.gz	FYOAMTDPCRGZGY-MCIONIFRSA-N	1	0	366.380	1.116	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1n1ccnn1	ZINC001129189401	886113716	/nfs/dbraw/zinc/11/37/16/886113716.db2.gz	OMMZFCFUIAYCOF-JQHSSLGASA-N	1	0	361.490	1.791	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1n1ccnn1	ZINC001129188831	886116952	/nfs/dbraw/zinc/11/69/52/886116952.db2.gz	CVXOJMNBOGNJOO-KURKYZTESA-N	1	0	359.474	1.382	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC2CCOCC2)CCO1	ZINC001035539962	886124854	/nfs/dbraw/zinc/12/48/54/886124854.db2.gz	RZMKJBNSBMNJHN-QYZOEREBSA-N	1	0	366.502	1.601	20	30		FDEDRO
C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1	ZINC001035546814	886151361	/nfs/dbraw/zinc/15/13/61/886151361.db2.gz	ITZAMIBHECKENH-FGTMMUONSA-N	1	0	362.474	1.071	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2Cc3ccccc32)[C@@H](n2ccnn2)C1	ZINC001129205583	886418187	/nfs/dbraw/zinc/41/81/87/886418187.db2.gz	WYDVQKULIPQKGG-OTWHNJEPSA-N	1	0	367.453	1.162	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cnn(Cc3ccccn3)c2)CC1	ZINC000676552771	886677986	/nfs/dbraw/zinc/67/79/86/886677986.db2.gz	SSKVMEOYKNSWOT-UHFFFAOYSA-N	1	0	368.441	1.032	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1	ZINC001129243290	886809154	/nfs/dbraw/zinc/80/91/54/886809154.db2.gz	MPTAHRQEZPHNHC-ZACQAIPSSA-N	1	0	361.490	1.649	20	30		FDEDRO
CN1CCN(Cc2ccccc2)[C@@H](C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)C1	ZINC000694783936	886915541	/nfs/dbraw/zinc/91/55/41/886915541.db2.gz	XGRQAOJYOBTFHH-FCHUYYIVSA-N	1	0	364.493	1.997	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2Cc3ccncc3C2)[C@@H](n2ccnn2)C1	ZINC001129262861	886986619	/nfs/dbraw/zinc/98/66/19/886986619.db2.gz	UZQSBWRXZZMWOM-UHOSZYNNSA-N	1	0	366.469	1.396	20	30		FDEDRO
C=CCCOCC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001062240968	886998661	/nfs/dbraw/zinc/99/86/61/886998661.db2.gz	SNPSOMYQOBXMIW-FGTMMUONSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=CCCOCC(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001062258221	887018715	/nfs/dbraw/zinc/01/87/15/887018715.db2.gz	OHFKARQYQZCBPB-FGTMMUONSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCCCC)C[C@@H]1n1ccnn1	ZINC001129266755	887053692	/nfs/dbraw/zinc/05/36/92/887053692.db2.gz	QGZCRZRBYRHZSY-BDXSIMOUSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)CCc2cncs2)[C@@H](n2ccnn2)C1	ZINC001129267000	887056634	/nfs/dbraw/zinc/05/66/34/887056634.db2.gz	TUDQWORYBACVRL-CVEARBPZSA-N	1	0	360.487	1.675	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1OCC[C@H]1C(C)C	ZINC001127543284	887181295	/nfs/dbraw/zinc/18/12/95/887181295.db2.gz	NYIXMLYNTXKOCF-ULQDDVLXSA-N	1	0	353.507	1.566	20	30		FDEDRO
N#CCCn1ccc(NC(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)n1	ZINC000415181454	887583872	/nfs/dbraw/zinc/58/38/72/887583872.db2.gz	BUBXJNZSVBNACT-JKSUJKDBSA-N	1	0	356.405	2.285	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(N(C)C)c2)C[C@H]1OC	ZINC001212255622	887889301	/nfs/dbraw/zinc/88/93/01/887889301.db2.gz	NWFZUNTVSHBHAB-KFKAGJAMSA-N	1	0	359.470	1.106	20	30		FDEDRO
Cc1cc(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)nn1CCC#N	ZINC000329373149	887936146	/nfs/dbraw/zinc/93/61/46/887936146.db2.gz	MSVIVKLWDHCSHB-OAHLLOKOSA-N	1	0	360.462	1.932	20	30		FDEDRO
CCC(=O)N[C@H]1CCCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1	ZINC000330193076	888002691	/nfs/dbraw/zinc/00/26/91/888002691.db2.gz	AGGFKGWACLPTFI-AWEZNQCLSA-N	1	0	362.478	2.513	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](CCCOc2ccccc2)C[C@H]1OC	ZINC001212258046	888076359	/nfs/dbraw/zinc/07/63/59/888076359.db2.gz	MKUYNWYIOCHEAU-RTBURBONSA-N	1	0	360.454	1.311	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2noc3c2CCCC3)[C@@H](n2ccnn2)C1	ZINC001129279470	888120955	/nfs/dbraw/zinc/12/09/55/888120955.db2.gz	GWWIWNPUQXVMKZ-CVEARBPZSA-N	1	0	370.457	1.766	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1OC	ZINC001212262291	888156614	/nfs/dbraw/zinc/15/66/14/888156614.db2.gz	KOIJCUZDRLBOIO-RTBURBONSA-N	1	0	355.438	1.523	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C2CC2)C[C@H]1OC	ZINC001212262170	888161231	/nfs/dbraw/zinc/16/12/31/888161231.db2.gz	FOQBSQSXXKLRTO-WOJBJXKFSA-N	1	0	356.466	1.919	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)Nc1cc(C)n(-c2cccc(C#N)c2)n1	ZINC000372378719	888243333	/nfs/dbraw/zinc/24/33/33/888243333.db2.gz	SEXLIVWIUGIIKV-UHFFFAOYSA-N	1	0	370.457	2.142	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1	ZINC001005975468	888305159	/nfs/dbraw/zinc/30/51/59/888305159.db2.gz	TVPOHKGUEHLQRU-PYJZQUQOSA-N	1	0	366.465	1.265	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1	ZINC000999769413	913257043	/nfs/dbraw/zinc/25/70/43/913257043.db2.gz	DXMZNXIGNHBMIQ-ZACQAIPSSA-N	1	0	371.909	1.199	20	30		FDEDRO
CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)C1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC001006005119	888647870	/nfs/dbraw/zinc/64/78/70/888647870.db2.gz	UYUXENXJHODXTF-MSOLQXFVSA-N	1	0	368.481	1.883	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@]2(C)CCOC2)C3)CC1	ZINC000999746649	913273805	/nfs/dbraw/zinc/27/38/05/913273805.db2.gz	DFHSNEOZQXBVPS-OEMYIYORSA-N	1	0	373.497	1.006	20	30		FDEDRO
Cn1ccnc1CN(C[C@H](O)c1ccc(C#N)cc1)[C@@H]1CC12CC[NH2+]CC2	ZINC000923342547	888961010	/nfs/dbraw/zinc/96/10/10/888961010.db2.gz	PGLVXANDIIXIRA-RBUKOAKNSA-N	1	0	365.481	1.969	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)CN2CC[NH2+]C[C@H]2C(F)F)c(OC)c1	ZINC000923351699	888986654	/nfs/dbraw/zinc/98/66/54/888986654.db2.gz	AHZGWQNDZIIKAV-GJZGRUSLSA-N	1	0	356.413	1.702	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1	ZINC000938781740	889299236	/nfs/dbraw/zinc/29/92/36/889299236.db2.gz	HGUPJGOLKRKGQG-BZSNNMDCSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)C[C@H](OCC)C2=CCCC2)[C@H](OC)C1	ZINC001212282046	889379522	/nfs/dbraw/zinc/37/95/22/889379522.db2.gz	IQHFEBCSCTZLTQ-CEXWTWQISA-N	1	0	366.502	1.910	20	30		FDEDRO
CNC(=O)C1(C(=O)N2C[C@@H](C[NH2+]CC#Cc3ccccc3)[C@H](C)C2)CCC1	ZINC001106909872	889404797	/nfs/dbraw/zinc/40/47/97/889404797.db2.gz	PSVFZNBIJKWXRV-IEBWSBKVSA-N	1	0	367.493	1.639	20	30		FDEDRO
C#Cc1ccc(C(=O)NC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cn1	ZINC000946907501	889443987	/nfs/dbraw/zinc/44/39/87/889443987.db2.gz	DZZARPYHEYAKTA-RDTXWAMCSA-N	1	0	354.454	1.124	20	30		FDEDRO
CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1	ZINC001006116573	889499111	/nfs/dbraw/zinc/49/91/11/889499111.db2.gz	NBISXQCDJGJFEH-AZUAARDMSA-N	1	0	368.481	1.547	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2nnn(C(C)(C)C)n2)[C@H](OC)C1	ZINC001212301367	889981847	/nfs/dbraw/zinc/98/18/47/889981847.db2.gz	OGSZZXBWKJNYGD-BFHYXJOUSA-N	1	0	350.467	1.212	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@@H]1CN([C@H](C)c2cnccn2)C[C@@H]1n1ccnn1	ZINC001129283852	890030387	/nfs/dbraw/zinc/03/03/87/890030387.db2.gz	BNLLNUBIFNBBST-OIISXLGYSA-N	1	0	369.473	1.773	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1CN(Cc2ccc(C(N)=O)cc2)C[C@H]1OC	ZINC001212325185	890149628	/nfs/dbraw/zinc/14/96/28/890149628.db2.gz	QFOZPDAWBNVXGB-IAGOWNOFSA-N	1	0	359.470	1.703	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@H](N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)n1	ZINC001063055412	890155094	/nfs/dbraw/zinc/15/50/94/890155094.db2.gz	BYQJHGSTHWSQMO-YESZJQIVSA-N	1	0	370.501	1.678	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)n1	ZINC001063055411	890155431	/nfs/dbraw/zinc/15/54/31/890155431.db2.gz	BYQJHGSTHWSQMO-IXDOHACOSA-N	1	0	370.501	1.678	20	30		FDEDRO
C=CCNC(=O)CN1C[C@@H](NC(=O)CCC[C@H](C)CCC)[C@H](OC)C1	ZINC001212330333	890191482	/nfs/dbraw/zinc/19/14/82/890191482.db2.gz	PIJMLLCKJNFHIR-BRWVUGGUSA-N	1	0	353.507	1.711	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1(NC(=O)C[NH+]2CCCC2)CCC1	ZINC001063189145	890273898	/nfs/dbraw/zinc/27/38/98/890273898.db2.gz	RPEVETQQFJYTND-WMZOPIPTSA-N	1	0	363.502	1.609	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(NC(=O)C[N@@H+](C)C(C)C)CCC1	ZINC001063216736	890315261	/nfs/dbraw/zinc/31/52/61/890315261.db2.gz	HYRAAYMIYZJEOG-CVEARBPZSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1OC	ZINC001212337346	890322657	/nfs/dbraw/zinc/32/26/57/890322657.db2.gz	JDTDSRRPPYGJCZ-MGPQQGTHSA-N	1	0	367.881	1.360	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](Nc3cnc(C#N)cn3)CC2)CC[N@@H+]1C	ZINC001063408603	890503500	/nfs/dbraw/zinc/50/35/00/890503500.db2.gz	GNGIDEGXNMWUPV-NXNVCVFFSA-N	1	0	356.474	1.918	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC([C@H](C)NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC001006182154	890550360	/nfs/dbraw/zinc/55/03/60/890550360.db2.gz	RDCCQCGCYSCOSI-QMTMVMCOSA-N	1	0	353.466	1.585	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)c2ccc3c[nH+]cn3c2C)C1	ZINC000995009751	891245070	/nfs/dbraw/zinc/24/50/70/891245070.db2.gz	WMNXUCSAXMVVKG-SJORKVTESA-N	1	0	354.410	1.174	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ocnc2C)C3)CC1	ZINC001001849009	891442818	/nfs/dbraw/zinc/44/28/18/891442818.db2.gz	JVRVVWLXGKBIMZ-ZACQAIPSSA-N	1	0	370.453	1.190	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@H]2C)c1	ZINC000940010472	891624171	/nfs/dbraw/zinc/62/41/71/891624171.db2.gz	CLRUYGPPVPJCHD-ATZDWAIDSA-N	1	0	368.481	1.512	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@]23CC[N@H+](C2)CCC3)[nH]1	ZINC001002086228	891908447	/nfs/dbraw/zinc/90/84/47/891908447.db2.gz	RMLUGAWXASPBQD-PYQAKABTSA-N	1	0	367.453	1.234	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C1	ZINC001002202179	892149259	/nfs/dbraw/zinc/14/92/59/892149259.db2.gz	SYPJPYCZODTREN-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)cn1	ZINC000940286975	892201737	/nfs/dbraw/zinc/20/17/37/892201737.db2.gz	BWRWOSRSWXMRCR-IIDMSEBBSA-N	1	0	354.454	1.124	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)cc1	ZINC000940301417	892224629	/nfs/dbraw/zinc/22/46/29/892224629.db2.gz	QOAYKCWTJZOLRT-FRQCXROJSA-N	1	0	353.466	1.586	20	30		FDEDRO
COc1ccc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)cc1C#N	ZINC000940327877	892277950	/nfs/dbraw/zinc/27/79/50/892277950.db2.gz	XUPBHUFVSCNRCL-CVEARBPZSA-N	1	0	370.453	1.159	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(OC)cc2)C[C@H]1C	ZINC001106917607	892287063	/nfs/dbraw/zinc/28/70/63/892287063.db2.gz	KTBWZGOKQXTADA-JFIYKMOQSA-N	1	0	371.481	1.060	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccccc2C#C)C[C@H]1C	ZINC001106922814	892597263	/nfs/dbraw/zinc/59/72/63/892597263.db2.gz	NJDMMWKVTYAATM-MBOZVWFJSA-N	1	0	365.477	1.032	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCO)C1	ZINC001112541433	892632089	/nfs/dbraw/zinc/63/20/89/892632089.db2.gz	WXJFOFSDNCYOLO-SCTDSRPQSA-N	1	0	351.491	1.058	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]C[C@@H](O)COC)[C@H](C)C2)CCOCC1	ZINC001106931983	893022178	/nfs/dbraw/zinc/02/21/78/893022178.db2.gz	LFOMNQHANIOMEN-BRWVUGGUSA-N	1	0	354.491	1.051	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC2CN(C(=O)C[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC001002479647	893035571	/nfs/dbraw/zinc/03/55/71/893035571.db2.gz	WFOSRNYJGKVKHP-OALUTQOASA-N	1	0	357.498	1.342	20	30		FDEDRO
CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)cc1	ZINC001106939844	893106668	/nfs/dbraw/zinc/10/66/68/893106668.db2.gz	NUSWWJNYUBQLIT-GDBMZVCRSA-N	1	0	358.442	1.023	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCOc3c(OC)cccc32)CC1	ZINC000672355851	893174758	/nfs/dbraw/zinc/17/47/58/893174758.db2.gz	YLDNRGKLBWJULD-MRXNPFEDSA-N	1	0	373.453	1.402	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CN(C)C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC001002558005	893213611	/nfs/dbraw/zinc/21/36/11/893213611.db2.gz	SLURPNAJUIYXBG-FVQBIDKESA-N	1	0	357.458	1.290	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2c2cn(C)nc2C)CC1	ZINC000672355012	893215127	/nfs/dbraw/zinc/21/51/27/893215127.db2.gz	HLRCCUBNDLIYCB-QGZVFWFLSA-N	1	0	359.474	1.159	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000465951540	893244739	/nfs/dbraw/zinc/24/47/39/893244739.db2.gz	NSRKWRWPECMZIV-CQSZACIVSA-N	1	0	361.421	1.084	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C(C)(C)C1	ZINC000940811733	893280513	/nfs/dbraw/zinc/28/05/13/893280513.db2.gz	SDGOABBQOPCKSH-BRWVUGGUSA-N	1	0	358.486	1.738	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2CN(C)C(=O)[C@]23C[C@H]2CCC3)CC1	ZINC001002595866	893341986	/nfs/dbraw/zinc/34/19/86/893341986.db2.gz	WQKRJACBFWOUCY-WOIUINJBSA-N	1	0	371.525	1.971	20	30		FDEDRO
COc1ccc(C#N)cc1CN1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1	ZINC001084231493	913775824	/nfs/dbraw/zinc/77/58/24/913775824.db2.gz	BXJFPAGELCUXDC-NZSAHSFTSA-N	1	0	368.481	1.694	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C(C)(C)C1	ZINC000941027505	893691698	/nfs/dbraw/zinc/69/16/98/893691698.db2.gz	GUUQXJDHBXDDQF-IXDOHACOSA-N	1	0	365.518	1.805	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC[C@@H]2CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)nc1	ZINC001002746228	893821763	/nfs/dbraw/zinc/82/17/63/893821763.db2.gz	UNYBJDFDGTZIMQ-KBAYOESNSA-N	1	0	368.481	1.466	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(Cl)s2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106947661	893856457	/nfs/dbraw/zinc/85/64/57/893856457.db2.gz	GNFIGJYXRZWWIX-GHMZBOCLSA-N	1	0	354.863	1.339	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CNC(=O)c2ccc(F)cc2)C[C@H]1C	ZINC001106948780	893886553	/nfs/dbraw/zinc/88/65/53/893886553.db2.gz	MCYHLVRQRQHPDQ-IUODEOHRSA-N	1	0	367.852	1.992	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)CCCC3)C[C@H]1C	ZINC001106950813	894018420	/nfs/dbraw/zinc/01/84/20/894018420.db2.gz	GQLVLOIZABPEFY-OXQOHEQNSA-N	1	0	367.493	1.613	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(CC(=O)OC)c1	ZINC000922024049	894432868	/nfs/dbraw/zinc/43/28/68/894432868.db2.gz	ZZHWDDYMEFSMQT-UHFFFAOYSA-N	1	0	364.467	1.120	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)C[C@]1(C)CC1(Cl)Cl	ZINC000922023962	894433275	/nfs/dbraw/zinc/43/32/75/894433275.db2.gz	YAGKZFNHXQLQSP-ZDUSSCGKSA-N	1	0	353.315	1.930	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(OC(C)C)nc1	ZINC000922021707	894465172	/nfs/dbraw/zinc/46/51/72/894465172.db2.gz	DBZZBAPNQMJJRF-UHFFFAOYSA-N	1	0	351.472	1.587	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000922024711	894512843	/nfs/dbraw/zinc/51/28/43/894512843.db2.gz	RZLAVXARCFJFSP-UHFFFAOYSA-N	1	0	355.391	1.452	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C(=O)OC)s1	ZINC000922025312	894531887	/nfs/dbraw/zinc/53/18/87/894531887.db2.gz	XONFDOMUNHHQDY-UHFFFAOYSA-N	1	0	356.469	1.253	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)C[C@@H](OC)c1ccc(F)cc1	ZINC000922025442	894535244	/nfs/dbraw/zinc/53/52/44/894535244.db2.gz	LRSYAAZRAJSBBX-GOSISDBHSA-N	1	0	368.474	1.872	20	30		FDEDRO
C#CCN(C(=O)NC1CCC(O)(c2cccnc2)CC1)C1CC[NH+](C)CC1	ZINC000922026164	894538703	/nfs/dbraw/zinc/53/87/03/894538703.db2.gz	VOOXERBHZGGPEM-UHFFFAOYSA-N	1	0	370.497	1.951	20	30		FDEDRO
Cn1cnc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(OCC#N)cc4)C[C@H]32)c1	ZINC001084279504	913913852	/nfs/dbraw/zinc/91/38/52/913913852.db2.gz	GXIZUSUEFIFRKB-VQIMIIECSA-N	1	0	365.437	1.669	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1	ZINC000941474543	895061696	/nfs/dbraw/zinc/06/16/96/895061696.db2.gz	UKRBHCJBAIJOHI-KSZLIROESA-N	1	0	363.502	1.513	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@H]1C	ZINC001106964181	896131877	/nfs/dbraw/zinc/13/18/77/896131877.db2.gz	WIYXOLZKUIRRMB-HZPDHXFCSA-N	1	0	351.491	1.790	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCCOC[C@H]1C)C(C)C	ZINC000671082067	896162575	/nfs/dbraw/zinc/16/25/75/896162575.db2.gz	SHCCINSMJBEUOL-IAGOWNOFSA-N	1	0	351.491	1.439	20	30		FDEDRO
CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C	ZINC000942145845	896481397	/nfs/dbraw/zinc/48/13/97/896481397.db2.gz	RLKORJRVXCHYED-RCCFBDPRSA-N	1	0	361.486	1.005	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(CNc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1	ZINC000183910435	896780417	/nfs/dbraw/zinc/78/04/17/896780417.db2.gz	ZCRRALQMDDJICX-OAHLLOKOSA-N	1	0	370.457	1.464	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)CC2(CCOCC2)C1	ZINC001089948661	896838816	/nfs/dbraw/zinc/83/88/16/896838816.db2.gz	ZMAOQQAPFNWUCZ-RCCFBDPRSA-N	1	0	370.497	1.534	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccccc2C)C[C@H]1C	ZINC001106969414	896912414	/nfs/dbraw/zinc/91/24/14/896912414.db2.gz	YJRHXMSZLOLXGE-ZHALLVOQSA-N	1	0	355.482	1.360	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1	ZINC000942452175	897067688	/nfs/dbraw/zinc/06/76/88/897067688.db2.gz	CDODPCZOGACHKF-QRQLOZEOSA-N	1	0	371.481	1.670	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1C[NH2+]CCS(=O)(=O)N1CCSCC1	ZINC000921707519	897240565	/nfs/dbraw/zinc/24/05/65/897240565.db2.gz	ROPFPJGGJBAYCI-UHFFFAOYSA-N	1	0	353.513	1.643	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(C2CC[NH+](Cc3cnn(C)c3)CC2)CC1	ZINC001000265067	897508772	/nfs/dbraw/zinc/50/87/72/897508772.db2.gz	OQTKPFPGPLVJFK-MSOLQXFVSA-N	1	0	358.486	1.872	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CN(CCF)CC2(CCOCC2)C1	ZINC001089963612	897536095	/nfs/dbraw/zinc/53/60/95/897536095.db2.gz	HQGGZAAVEGZCDH-IKGGRYGDSA-N	1	0	354.466	1.924	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCc3ccc(OC)cc3)C[C@H]2O)cn1	ZINC001078023837	897620032	/nfs/dbraw/zinc/62/00/32/897620032.db2.gz	PIWLWCBRDBMKMQ-WOJBJXKFSA-N	1	0	365.433	1.089	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C)[N@H+](CC)C[C@H]2C)cc1	ZINC000765931223	898178335	/nfs/dbraw/zinc/17/83/35/898178335.db2.gz	GNGGVAZPJSOBBQ-LSDHHAIUSA-N	1	0	363.483	1.153	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C)[N@H+](CC)C[C@@H]2C)cc1	ZINC000765931219	898178668	/nfs/dbraw/zinc/17/86/68/898178668.db2.gz	GNGGVAZPJSOBBQ-GJZGRUSLSA-N	1	0	363.483	1.153	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nc(C)c(C)s2)C[C@H]1C	ZINC001106997739	898422967	/nfs/dbraw/zinc/42/29/67/898422967.db2.gz	RRBOCVHLNGLDER-BXUZGUMPSA-N	1	0	350.488	1.360	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O	ZINC001078228095	898431709	/nfs/dbraw/zinc/43/17/09/898431709.db2.gz	CRCKLPLKLBQEFL-HSALFYBXSA-N	1	0	355.482	1.074	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C	ZINC001078238446	898470054	/nfs/dbraw/zinc/47/00/54/898470054.db2.gz	ZHADZDBBYPXHGY-VVLHAWIVSA-N	1	0	353.507	1.565	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000943199825	898506671	/nfs/dbraw/zinc/50/66/71/898506671.db2.gz	NXDAPPACXIEBTM-UKPHBRMFSA-N	1	0	357.458	1.337	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000943310385	898679019	/nfs/dbraw/zinc/67/90/19/898679019.db2.gz	MDRUALWGOPRZKQ-HSALFYBXSA-N	1	0	371.525	1.875	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2oc(C)nc2C)C1	ZINC001078474140	898808843	/nfs/dbraw/zinc/80/88/43/898808843.db2.gz	VJFAQPDICRQDIA-BBWFWOEESA-N	1	0	363.458	1.590	20	30		FDEDRO
N#Cc1ccccc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CCCO1	ZINC001078475630	898815948	/nfs/dbraw/zinc/81/59/48/898815948.db2.gz	SPGNTFWVUWYWKF-WCIQWLHISA-N	1	0	369.465	1.833	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)C(C)C)C[C@H]1C	ZINC001107000336	898950345	/nfs/dbraw/zinc/95/03/45/898950345.db2.gz	QDSAYAGWXGSPMF-KZNAEPCWSA-N	1	0	365.518	1.520	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COCCN2C(C)=O)C[C@H]1C	ZINC001107002978	899163326	/nfs/dbraw/zinc/16/33/26/899163326.db2.gz	YODUAFYQCGIFIH-QRQLOZEOSA-N	1	0	365.518	1.664	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnn(C)n1	ZINC001107016925	899552018	/nfs/dbraw/zinc/55/20/18/899552018.db2.gz	HGEXVROWTJPTAV-SJLPKXTDSA-N	1	0	351.454	1.441	20	30		FDEDRO
C=C[C@@H](C(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1)c1ccccc1	ZINC001107018487	899557603	/nfs/dbraw/zinc/55/76/03/899557603.db2.gz	JWESCLSEMUXCTK-KBAYOESNSA-N	1	0	364.511	1.685	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2	ZINC000944050281	899757550	/nfs/dbraw/zinc/75/75/50/899757550.db2.gz	ZEQQAXAEKCSCOR-ZACQAIPSSA-N	1	0	361.486	1.171	20	30		FDEDRO
N#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)[nH]1	ZINC000944104581	899860741	/nfs/dbraw/zinc/86/07/41/899860741.db2.gz	HOZROEKBMLHJHC-MGPQQGTHSA-N	1	0	352.398	1.134	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC2CCCC2)[C@H](C)C1	ZINC001107062709	900376702	/nfs/dbraw/zinc/37/67/02/900376702.db2.gz	QEVJZMZVOCMKHS-BRWVUGGUSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CC(C)C)[C@H](C)C1	ZINC001107062210	900442194	/nfs/dbraw/zinc/44/21/94/900442194.db2.gz	CQZSVOYRWHMTCS-BRWVUGGUSA-N	1	0	363.506	1.709	20	30		FDEDRO
CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CCN(c2c(F)cccc2F)C1	ZINC000185532334	900468962	/nfs/dbraw/zinc/46/89/62/900468962.db2.gz	OIJATHYCVDFPRK-CYBMUJFWSA-N	1	0	367.444	1.575	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@]2(C)OCCc3ccccc32)C[C@H]1C	ZINC001107076249	900533733	/nfs/dbraw/zinc/53/37/33/900533733.db2.gz	MGQZEBBWDZAPST-SFGWALBWSA-N	1	0	370.493	1.808	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCCCC2(C)C)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001107095352	900854087	/nfs/dbraw/zinc/85/40/87/900854087.db2.gz	JJWGYDISELVDFJ-ZACQAIPSSA-N	1	0	362.518	1.917	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(CC=C)CCCC2)C[C@H]1C	ZINC001107099672	900990752	/nfs/dbraw/zinc/99/07/52/900990752.db2.gz	MLGMCPROWBSOBZ-FGTMMUONSA-N	1	0	359.514	1.945	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNc2nc(C)cc(C#N)n2)CC[N@@H+]1C	ZINC001063575934	900994241	/nfs/dbraw/zinc/99/42/41/900994241.db2.gz	UXSSFAOVPYAUPQ-IXDOHACOSA-N	1	0	356.474	1.790	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H](CCC(C)C)NC(C)=O)C[C@H]1C	ZINC001107100414	900995558	/nfs/dbraw/zinc/99/55/58/900995558.db2.gz	YNJYNAVFUJOQMD-QRQLOZEOSA-N	1	0	367.534	1.814	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC3(CCN(c4cncc(C#N)n4)C3)CC2)CC[N@@H+]1C	ZINC001063604198	901023658	/nfs/dbraw/zinc/02/36/58/901023658.db2.gz	LJBFCSIDWZEJGF-NVXWUHKLSA-N	1	0	368.485	1.507	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(c3ccncc3C#N)CCO2)CC[N@@H+]1C	ZINC001063671533	901054449	/nfs/dbraw/zinc/05/44/49/901054449.db2.gz	YKGCONLIEBSDLN-YESZJQIVSA-N	1	0	357.458	1.005	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)C[NH+](CC)CC)CC1	ZINC001079084076	901104462	/nfs/dbraw/zinc/10/44/62/901104462.db2.gz	DOOBFJFKHRGUTR-KURKYZTESA-N	1	0	365.518	1.759	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)C[C@H]1C	ZINC001107101953	901117901	/nfs/dbraw/zinc/11/79/01/901117901.db2.gz	GSBYZBMGXOGVBN-BZUAXINKSA-N	1	0	351.491	1.694	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](OC)C2CCCCC2)C[C@H]1C	ZINC001107103009	901147903	/nfs/dbraw/zinc/14/79/03/901147903.db2.gz	BJFCOTAVFXQENF-SZVBFZGTSA-N	1	0	363.502	1.015	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccncc2C#N)CC[N@@H+]1C	ZINC001064544063	901395665	/nfs/dbraw/zinc/39/56/65/901395665.db2.gz	DBZHMDOMDFYMPW-NRSFXHEJSA-N	1	0	353.470	1.863	20	30		FDEDRO
C[NH+](C)C1(CC(=O)N2CC[C@H]3CN(c4cnc(C#N)cn4)C[C@H]32)CCCC1	ZINC001090345568	901760289	/nfs/dbraw/zinc/76/02/89/901760289.db2.gz	CMQKVLNUFYNBPE-DOTOQJQBSA-N	1	0	368.485	1.650	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2CN(c3ccc(C#N)nn3)C[C@H]21	ZINC001090341427	901760491	/nfs/dbraw/zinc/76/04/91/901760491.db2.gz	XBDWBRLDAKDLNH-CWRNSKLLSA-N	1	0	360.437	1.065	20	30		FDEDRO
CC[C@@H](C(=O)N1CC[C@H]2CN(c3cnc(C#N)cn3)C[C@H]21)[NH+](CC)CC	ZINC001090355429	901826373	/nfs/dbraw/zinc/82/63/73/901826373.db2.gz	LHXHGHVUQAKWMO-BHYGNILZSA-N	1	0	356.474	1.506	20	30		FDEDRO
C=C(C)CN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[N@H+]2C)C1	ZINC001079129762	901935987	/nfs/dbraw/zinc/93/59/87/901935987.db2.gz	FPATVWGQEQKTIB-XUVXKRRUSA-N	1	0	357.498	1.731	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccnc(F)c2)C1	ZINC001079131130	901941160	/nfs/dbraw/zinc/94/11/60/901941160.db2.gz	CDTVENRDOLFMJN-RTBURBONSA-N	1	0	367.424	1.932	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccncn2)C1	ZINC001079146200	901962582	/nfs/dbraw/zinc/96/25/82/901962582.db2.gz	YNXNWZLLLYBSDS-RTBURBONSA-N	1	0	350.422	1.187	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH2+]CC(N)=O)C2)[nH]1	ZINC001079151499	901985476	/nfs/dbraw/zinc/98/54/76/901985476.db2.gz	VQKCLLCMFVNFKU-DOTOQJQBSA-N	1	0	369.400	1.099	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC(=O)N(C)C2)C1	ZINC001079135616	902000921	/nfs/dbraw/zinc/00/09/21/902000921.db2.gz	CPFKVQKVJBANIR-GUDVDZBRSA-N	1	0	371.481	1.115	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CCC)C[C@H]1O	ZINC001079137105	902012329	/nfs/dbraw/zinc/01/23/29/902012329.db2.gz	VLFNRODJMCXVOL-PWRODBHTSA-N	1	0	369.509	1.568	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCCCN2C)C1	ZINC001079138205	902017999	/nfs/dbraw/zinc/01/79/99/902017999.db2.gz	TULQWGZNKIBJBP-PWRODBHTSA-N	1	0	369.509	1.568	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1	ZINC001079141794	902035082	/nfs/dbraw/zinc/03/50/82/902035082.db2.gz	YYQNXPZCZMXEIY-IVDHNXQLSA-N	1	0	356.466	1.529	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1c1cccc(F)c1)C(N)=O	ZINC001079177814	902062301	/nfs/dbraw/zinc/06/23/01/902062301.db2.gz	KGFZJECMOKSTNQ-XQAQDONZSA-N	1	0	369.400	1.097	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCN(C)C2=O)CC[C@H]1c1ccc(F)cc1	ZINC001079154521	902068716	/nfs/dbraw/zinc/06/87/16/902068716.db2.gz	HQOHLCPBBWZELG-NZSAHSFTSA-N	1	0	371.456	1.601	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)n2)CC[C@H]1c1ccc(F)cc1	ZINC001079158931	902080038	/nfs/dbraw/zinc/08/00/38/902080038.db2.gz	BEIQHXLWONHBTE-RBUKOAKNSA-N	1	0	369.444	1.494	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)C2)CC[C@H]1c1ccc(F)cc1	ZINC001079162668	902089571	/nfs/dbraw/zinc/08/95/71/902089571.db2.gz	VSMASRDGIMFOTM-NZSAHSFTSA-N	1	0	371.456	1.601	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1c1cccc(F)c1	ZINC001079209924	902117157	/nfs/dbraw/zinc/11/71/57/902117157.db2.gz	ODKBXFFYWRYQRN-DOTOQJQBSA-N	1	0	356.401	1.637	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+][C@H]2CCCNC2=O)C1	ZINC001079183870	902126635	/nfs/dbraw/zinc/12/66/35/902126635.db2.gz	ZDCUCNHJGVHLGM-GBESFXJTSA-N	1	0	369.440	1.402	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnc3n[nH]nc3c2)C[C@H]1c1cccc(F)c1	ZINC001079187489	902133489	/nfs/dbraw/zinc/13/34/89/902133489.db2.gz	JIAZDTFGPWHXOK-DOTOQJQBSA-N	1	0	366.400	1.876	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn3ccncc23)C[C@H]1c1cccc(F)c1	ZINC001079187575	902134956	/nfs/dbraw/zinc/13/49/56/902134956.db2.gz	MUJJJDILBJAUCE-ZWKOTPCHSA-N	1	0	363.396	1.699	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3nccn3C2)C[C@H]1c1cccc(F)c1	ZINC001079188703	902137011	/nfs/dbraw/zinc/13/70/11/902137011.db2.gz	MQFJBYIZEPVYSN-NZSAHSFTSA-N	1	0	366.440	1.802	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCNC(=O)C2)C[C@H]1c1cccc(F)c1	ZINC001079189783	902142952	/nfs/dbraw/zinc/14/29/52/902142952.db2.gz	ZRZUHUQKFVNJLZ-QKLQHJQFSA-N	1	0	357.429	1.259	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1c1cccc(F)c1	ZINC001079192454	902149277	/nfs/dbraw/zinc/14/92/77/902149277.db2.gz	ICMOZRCUMGKLGL-AEEMCCEDSA-N	1	0	374.456	1.947	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2C)C[C@H]1c1cccc(F)c1	ZINC001079193583	902152828	/nfs/dbraw/zinc/15/28/28/902152828.db2.gz	KUKFJDOHYBMQLD-OKZBNKHCSA-N	1	0	359.445	1.907	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)Cc3cc(C)n[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079234216	902170116	/nfs/dbraw/zinc/17/01/16/902170116.db2.gz	CJNXLDFEJAGLCN-ZWKOTPCHSA-N	1	0	356.470	1.223	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3coc(CC)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079237324	902179116	/nfs/dbraw/zinc/17/91/16/902179116.db2.gz	ZWIRVEQLQAEWSJ-DOTOQJQBSA-N	1	0	357.454	1.813	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)Cc3ccnn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079238075	902180370	/nfs/dbraw/zinc/18/03/70/902180370.db2.gz	GREJQPSRFHJYRE-ZWKOTPCHSA-N	1	0	358.486	1.478	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3cnn(CC)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079241013	902191334	/nfs/dbraw/zinc/19/13/34/902191334.db2.gz	KARVZXKBWYRZRX-DOTOQJQBSA-N	1	0	359.474	1.427	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)N2CCOCC2)C[C@H]1c1cccc(F)c1	ZINC001079211944	902196727	/nfs/dbraw/zinc/19/67/27/902196727.db2.gz	ABDAOZXFPWUCAC-ZYSHUDEJSA-N	1	0	361.461	1.616	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)ccn2)C[C@H]1c1cccc(F)c1	ZINC001079212287	902198258	/nfs/dbraw/zinc/19/82/58/902198258.db2.gz	SHNWLNWMBDMARJ-FUHWJXTLSA-N	1	0	366.396	1.151	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3ccccc3O)[C@@H]3COC[C@@H]32)CC1	ZINC001079224949	902231940	/nfs/dbraw/zinc/23/19/40/902231940.db2.gz	NBUSXOQKWIFGGO-ZWKOTPCHSA-N	1	0	354.450	1.969	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ccn(C(F)F)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079242187	902237991	/nfs/dbraw/zinc/23/79/91/902237991.db2.gz	RNPQFBFOWGZYKI-DZGCQCFKSA-N	1	0	364.396	1.464	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cc4n(n3)CCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079244820	902249506	/nfs/dbraw/zinc/24/95/06/902249506.db2.gz	HGMODRLTXLWVPT-FUHWJXTLSA-N	1	0	356.470	1.568	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3c(C)[nH]nc3Cl)[C@@H]3COC[C@@H]32)CC1	ZINC001079244903	902251186	/nfs/dbraw/zinc/25/11/86/902251186.db2.gz	LYGBTQIQESKGAN-UONOGXRCSA-N	1	0	362.861	1.558	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC(F)(F)C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079245017	902252272	/nfs/dbraw/zinc/25/22/72/902252272.db2.gz	SNEHHBKMUVCYKK-OWCLPIDISA-N	1	0	352.425	1.994	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cnn(C)c3Cl)[C@@H]3COC[C@@H]32)CC1	ZINC001079248366	902263783	/nfs/dbraw/zinc/26/37/83/902263783.db2.gz	VPGSWINFUBMIQF-LSDHHAIUSA-N	1	0	364.877	1.813	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3ccnc(OC)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079249962	902267536	/nfs/dbraw/zinc/26/75/36/902267536.db2.gz	DTBZLXXTYUFPHG-DLBZAZTESA-N	1	0	357.454	1.829	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)Cn3cncc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079251261	902272232	/nfs/dbraw/zinc/27/22/32/902272232.db2.gz	NRMINLPHCXXISD-ZWKOTPCHSA-N	1	0	358.486	1.707	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H]3COC[C@@H]32)CC1	ZINC001079252884	902275393	/nfs/dbraw/zinc/27/53/93/902275393.db2.gz	SEDZZLJDFOPRGE-PHUPPTAPSA-N	1	0	372.509	1.925	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)Cc3cncc(C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079254178	902278095	/nfs/dbraw/zinc/27/80/95/902278095.db2.gz	POAOOJLBEBOERQ-VQTJNVASSA-N	1	0	367.493	1.895	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3c(C)nc[nH]c3=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079256849	902286303	/nfs/dbraw/zinc/28/63/03/902286303.db2.gz	IXURUIQYNQDZKD-JKSUJKDBSA-N	1	0	370.453	1.067	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3[nH]c(C)nc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079260520	902297402	/nfs/dbraw/zinc/29/74/02/902297402.db2.gz	AGOPJNZCONOWNR-DLBZAZTESA-N	1	0	356.470	1.603	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@H](C)Oc3cccnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079260093	902297535	/nfs/dbraw/zinc/29/75/35/902297535.db2.gz	ZUVKGKSAMIVGSJ-YTQUADARSA-N	1	0	369.465	1.422	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)Cn3ccc(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079260763	902298952	/nfs/dbraw/zinc/29/89/52/902298952.db2.gz	OBIIHQCRLYCGRC-ZWKOTPCHSA-N	1	0	356.470	1.154	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3nccn4ccnc34)[C@@H]3COC[C@@H]32)CC1	ZINC001079260993	902300051	/nfs/dbraw/zinc/30/00/51/902300051.db2.gz	ZTJZKZHDQALVNQ-JKSUJKDBSA-N	1	0	367.453	1.468	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)C[C@@H]3CCCOC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079273785	902300469	/nfs/dbraw/zinc/30/04/69/902300469.db2.gz	QGDYXJRNSPUCPD-GBESFXJTSA-N	1	0	360.498	1.766	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)CCc3ncccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079266767	902315102	/nfs/dbraw/zinc/31/51/02/902315102.db2.gz	ICABPWUEMJRWJR-ZWKOTPCHSA-N	1	0	368.481	1.372	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)COc3cccnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079267438	902316748	/nfs/dbraw/zinc/31/67/48/902316748.db2.gz	WBJPKPIZPXPQIT-ZWKOTPCHSA-N	1	0	357.454	1.586	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cccc(OC)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269124	902322754	/nfs/dbraw/zinc/32/27/54/902322754.db2.gz	HMKGAFLSPJBYDP-FUHWJXTLSA-N	1	0	369.465	1.667	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)C[C@@H](C)n3cccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269201	902324251	/nfs/dbraw/zinc/32/42/51/902324251.db2.gz	MIJPOVTTWMLVLZ-CEXWTWQISA-N	1	0	370.497	1.797	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cccc(OC)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269197	902324698	/nfs/dbraw/zinc/32/46/98/902324698.db2.gz	MFGONHMPUBXTIG-DOTOQJQBSA-N	1	0	357.454	1.829	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3ccc(C#C)nc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079270172	902326825	/nfs/dbraw/zinc/32/68/25/902326825.db2.gz	FTAHZVPFLSSWOG-VQTJNVASSA-N	1	0	363.461	1.639	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3cccn(C)c3=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079270291	902328652	/nfs/dbraw/zinc/32/86/52/902328652.db2.gz	LICDCFZPTRYMBD-ZWKOTPCHSA-N	1	0	371.481	1.514	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3c(C)nn(C)c3F)[C@@H]3COC[C@@H]32)CC1	ZINC001079270957	902331024	/nfs/dbraw/zinc/33/10/24/902331024.db2.gz	DPQSJUWLYOWRIO-LSDHHAIUSA-N	1	0	360.433	1.054	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)Cc3c(C)noc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079272121	902334715	/nfs/dbraw/zinc/33/47/15/902334715.db2.gz	CRLFBFVQSBXDBF-RBUKOAKNSA-N	1	0	371.481	1.797	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)C[C@H]1c1ccccc1F	ZINC001079299501	902344580	/nfs/dbraw/zinc/34/45/80/902344580.db2.gz	UIDJIZNLLBNSHS-UWWQBHOKSA-N	1	0	357.429	1.211	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(OC)n(C)n2)C[C@H]1c1ccccc1F	ZINC001079302436	902351598	/nfs/dbraw/zinc/35/15/98/902351598.db2.gz	ZMXXJYBXFYTNKP-WMLDXEAASA-N	1	0	356.401	1.399	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3nnnn3c2)C[C@H]1c1ccccc1F	ZINC001079302992	902353571	/nfs/dbraw/zinc/35/35/71/902353571.db2.gz	VCYCHXKBQSOGCB-DOTOQJQBSA-N	1	0	364.384	1.094	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCN3C(C)=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079275187	902357805	/nfs/dbraw/zinc/35/78/05/902357805.db2.gz	HXZWLXHSWFBIMF-RCCFBDPRSA-N	1	0	361.486	1.123	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCNC(=O)CC2)C[C@H]1c1ccccc1F	ZINC001079303855	902374113	/nfs/dbraw/zinc/37/41/13/902374113.db2.gz	DQCHUFIPERLZOV-QILLFSRXSA-N	1	0	359.445	1.812	20	30		FDEDRO
CCn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1c1ccccc1F	ZINC001079287020	902384011	/nfs/dbraw/zinc/38/40/11/902384011.db2.gz	KPDORLGDKQSGNC-RPVQJOFSSA-N	1	0	370.432	1.681	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@]2(CC)CCNC2=O)C[C@H]1c1ccccc1F	ZINC001079298690	902406241	/nfs/dbraw/zinc/40/62/41/902406241.db2.gz	BBJKVLRIEZEONO-VPWXQRGCSA-N	1	0	357.429	1.259	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCN(C(C)=O)C2)C[C@H]1c1ccccc1F	ZINC001079319911	902421777	/nfs/dbraw/zinc/42/17/77/902421777.db2.gz	WIBXOCYIBXBQGY-VDZJLULYSA-N	1	0	357.429	1.211	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(CC)CCO2)C[C@H]1c1ccccc1F	ZINC001079322326	902426414	/nfs/dbraw/zinc/42/64/14/902426414.db2.gz	PFEGGJDRUGKENZ-UHOSZYNNSA-N	1	0	359.445	1.064	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C(C)C)C[C@H]1c1ccccc1F	ZINC001079307473	902440614	/nfs/dbraw/zinc/44/06/14/902440614.db2.gz	MROVDFIWQXTHQL-UHOSZYNNSA-N	1	0	371.456	1.742	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]1c1ccccc1F	ZINC001079313858	902450679	/nfs/dbraw/zinc/45/06/79/902450679.db2.gz	VQEQPSOWKNKXAD-GOEBONIOSA-N	1	0	366.458	1.166	20	30		FDEDRO
Cc1cnn(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]2C)c1	ZINC001079467709	902643453	/nfs/dbraw/zinc/64/34/53/902643453.db2.gz	VEIZDOTXHNWBPC-VQIMIIECSA-N	1	0	367.453	1.731	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C)C2CC2)C3)CC1	ZINC000996002168	902877096	/nfs/dbraw/zinc/87/70/96/902877096.db2.gz	ICADGCCMCBOQKU-VLQPXKRTSA-N	1	0	357.498	1.626	20	30		FDEDRO
C[C@]1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)CCNC(=O)C1	ZINC001084449026	914673391	/nfs/dbraw/zinc/67/33/91/914673391.db2.gz	OTXQMMBXJZGDSB-OPYAIIAOSA-N	1	0	366.465	1.507	20	30		FDEDRO
Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]2C)[nH]1	ZINC001079668924	902990565	/nfs/dbraw/zinc/99/05/65/902990565.db2.gz	YGVIYIJUQYBHQK-CXAGYDPISA-N	1	0	368.441	1.195	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1C[C@@H](C)CC(=O)N1	ZINC001079718611	903133625	/nfs/dbraw/zinc/13/36/25/903133625.db2.gz	LVTUHPPMAUCDPE-DTTOXWODSA-N	1	0	354.454	1.409	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(C#N)c1)C2	ZINC000996123383	903154596	/nfs/dbraw/zinc/15/45/96/903154596.db2.gz	RSXOBDLMQOLOFI-IEAZIUSSSA-N	1	0	355.442	1.232	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[C@H]1CCC(=O)NC1	ZINC001079836193	903458521	/nfs/dbraw/zinc/45/85/21/903458521.db2.gz	YWXPQWAZIOWDDG-QGPMSJSTSA-N	1	0	354.454	1.411	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1CC(N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001079860023	903547743	/nfs/dbraw/zinc/54/77/43/903547743.db2.gz	RPGLLLRIXWNCLW-MDYRTPRTSA-N	1	0	365.518	1.615	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3CCCNC3=O)C2)cc1C#N	ZINC001079903506	903643107	/nfs/dbraw/zinc/64/31/07/903643107.db2.gz	TWDQRHVKCKAIRW-XOKHGSTOSA-N	1	0	370.453	1.030	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccccc2C#N)C(C)(C)C1	ZINC000996308389	903664337	/nfs/dbraw/zinc/66/43/37/903664337.db2.gz	FFWVLGXBUPEJRV-FGTMMUONSA-N	1	0	368.481	1.609	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cnc[nH]c3=O)C2)cc1C#N	ZINC001079929135	903731032	/nfs/dbraw/zinc/73/10/32/903731032.db2.gz	OHNNXHLACKBDQF-MLGOLLRUSA-N	1	0	367.409	1.313	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1CCN(C)C(=O)C1	ZINC001079977075	903871373	/nfs/dbraw/zinc/87/13/73/903871373.db2.gz	HBKPKUNGGPPYLW-FHLIZLRMSA-N	1	0	354.454	1.363	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)COCC)CCC[C@@H]12	ZINC001107266736	904225886	/nfs/dbraw/zinc/22/58/86/904225886.db2.gz	MHFXNBZWRUECKG-YLJYHZDGSA-N	1	0	365.518	1.808	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CSC)CCC[C@@H]12	ZINC001107270055	904246083	/nfs/dbraw/zinc/24/60/83/904246083.db2.gz	LEHHUYPHYQLECK-CRAIPNDOSA-N	1	0	366.531	1.472	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CSC(C)C)CCC[C@@H]12	ZINC001107289709	904310493	/nfs/dbraw/zinc/31/04/93/904310493.db2.gz	LWFZQVOVGDASDK-CRAIPNDOSA-N	1	0	351.516	1.238	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]Cc2nnc(C3CC3)[nH]2)CC1	ZINC000996600796	904314651	/nfs/dbraw/zinc/31/46/51/904314651.db2.gz	LOSWHTRISPDCKH-CVEARBPZSA-N	1	0	359.474	1.744	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cnc(C)s3)CCC[C@@H]12	ZINC001107306749	904400038	/nfs/dbraw/zinc/40/00/38/904400038.db2.gz	BVAIKCFLVUUKQA-CRAIPNDOSA-N	1	0	362.499	1.728	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccn(C)c(=O)c1)CC2	ZINC001107330583	904460450	/nfs/dbraw/zinc/46/04/50/904460450.db2.gz	DYCKGVRQTMAMPM-YLJYHZDGSA-N	1	0	359.470	1.449	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)CSC)CCC[C@@H]12	ZINC001107330869	904462741	/nfs/dbraw/zinc/46/27/41/904462741.db2.gz	RAMIGHDTRKHCQW-IIDMSEBBSA-N	1	0	353.532	1.649	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCc1ccccc1)CC2	ZINC001107328940	904491687	/nfs/dbraw/zinc/49/16/87/904491687.db2.gz	CIIMPXFRUJOVGN-YRISNDGFSA-N	1	0	368.481	1.823	20	30		FDEDRO
COc1coc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@@H](C)C#N)CCC[C@@H]23)cc1=O	ZINC001107338926	904515006	/nfs/dbraw/zinc/51/50/06/904515006.db2.gz	ZEGADFKRTBBGIF-BOFPYLFWSA-N	1	0	359.426	1.669	20	30		FDEDRO
C=CCOCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCn1cncn1)CC2	ZINC001107350543	904554661	/nfs/dbraw/zinc/55/46/61/904554661.db2.gz	KFWSUVDIDWEKOI-IEBWSBKVSA-N	1	0	361.490	1.622	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CCCCO3)CCC[C@@H]12	ZINC001107360322	904590106	/nfs/dbraw/zinc/59/01/06/904590106.db2.gz	GLWSZTUULDYIEI-SQGPQFPESA-N	1	0	361.486	1.056	20	30		FDEDRO
CCN(C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH]c(C#N)c3)CCC[C@@H]12	ZINC001107372547	904601216	/nfs/dbraw/zinc/60/12/16/904601216.db2.gz	LCTPWSXGJNRXQD-VQIMIIECSA-N	1	0	357.458	1.339	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC(C)C)CC2	ZINC001107381886	904651970	/nfs/dbraw/zinc/65/19/70/904651970.db2.gz	VAVIPPDZDWSRJQ-NSISKUIASA-N	1	0	365.518	1.447	20	30		FDEDRO
Cc1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)ns1	ZINC001107381651	904652326	/nfs/dbraw/zinc/65/23/26/904652326.db2.gz	PSMSPSSNTULFRM-RHSMWYFYSA-N	1	0	361.471	1.066	20	30		FDEDRO
C#CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+]([C@@H]1CCN(CC=C)C1=O)CC2	ZINC001107383704	904655982	/nfs/dbraw/zinc/65/59/82/904655982.db2.gz	DBZGCPGNHLKSMX-DBXWQHBBSA-N	1	0	357.498	1.938	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)c3cn(CCOC)nn3)CCC[C@@H]12	ZINC001107401464	904777421	/nfs/dbraw/zinc/77/74/21/904777421.db2.gz	PISQSTAUEZVQIY-IEBWSBKVSA-N	1	0	361.490	1.865	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccnn3CCC)CCC[C@@H]12	ZINC001107419249	904798101	/nfs/dbraw/zinc/79/81/01/904798101.db2.gz	NDVKPGKMAWUXIL-YLJYHZDGSA-N	1	0	371.485	1.017	20	30		FDEDRO
C=CC(C)(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nc(=O)n(C)[nH]1)CC2	ZINC001107420882	904868070	/nfs/dbraw/zinc/86/80/70/904868070.db2.gz	MZOZJBWOMJXANA-AUUYWEPGSA-N	1	0	361.490	1.572	20	30		FDEDRO
CC(C)CC1(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)CC1	ZINC001107433763	904889305	/nfs/dbraw/zinc/88/93/05/904889305.db2.gz	BTEUUHOMMQGJIL-OXQOHEQNSA-N	1	0	360.502	1.813	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc4c([nH]3)CCOC4)CCC[C@@H]12	ZINC001107433818	904889689	/nfs/dbraw/zinc/88/96/89/904889689.db2.gz	DDQSWTMXSLUZEA-TZIWHRDSSA-N	1	0	371.481	1.712	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](Cn3cccn3)N(C)C)CCC[C@@H]12	ZINC001107436417	904902329	/nfs/dbraw/zinc/90/23/29/904902329.db2.gz	YXLVFNMYJSXNJT-NLWGTHIKSA-N	1	0	357.502	1.197	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CCC([NH2+]Cc3ccc(C#N)s3)CC2)O1	ZINC000996712469	904907667	/nfs/dbraw/zinc/90/76/67/904907667.db2.gz	PKJGONWNBJVZTJ-CXAGYDPISA-N	1	0	362.499	1.419	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3c(C)ncn3C)CCC[C@@H]12	ZINC001107440995	904926489	/nfs/dbraw/zinc/92/64/89/904926489.db2.gz	FURUISCBCOHQGM-DNVCBOLYSA-N	1	0	359.474	1.005	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC3(F)F)CCC[C@@H]12	ZINC001107446837	904963813	/nfs/dbraw/zinc/96/38/13/904963813.db2.gz	VJJNWEDGNMZVBR-XJKCOSOUSA-N	1	0	354.401	1.032	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cccc4n[nH]cc43)C2)C1=O	ZINC001080238973	904977360	/nfs/dbraw/zinc/97/73/60/904977360.db2.gz	GOCHMDXZLGEKIP-XWIAVFTESA-N	1	0	367.453	1.400	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[C@@H]1CCC(=O)N1C	ZINC001080250942	905040267	/nfs/dbraw/zinc/04/02/67/905040267.db2.gz	OESVFMVFYWKRAO-FHLIZLRMSA-N	1	0	354.454	1.506	20	30		FDEDRO
Cc1cnn(C)c1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1C	ZINC001080283460	905127708	/nfs/dbraw/zinc/12/77/08/905127708.db2.gz	NQOKUSLPIQJARP-CRAIPNDOSA-N	1	0	367.453	1.881	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)CCC[C@@H]12	ZINC001107479377	905152452	/nfs/dbraw/zinc/15/24/52/905152452.db2.gz	CDEBJORFIHKCIL-AXVVYFOYSA-N	1	0	361.486	1.184	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3Cc4cncn4C(=O)N3)CCC[C@@H]12	ZINC001107482310	905181459	/nfs/dbraw/zinc/18/14/59/905181459.db2.gz	JMLUYSMXUUYCLN-SQGPQFPESA-N	1	0	371.485	1.693	20	30		FDEDRO
C=CC(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@@H](O)COCCOC)CC2	ZINC001107503093	905259833	/nfs/dbraw/zinc/25/98/33/905259833.db2.gz	SBEIQCQREUVIOQ-MBOZVWFJSA-N	1	0	368.518	1.583	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)N(C)C(=O)C3)[C@H](OC)C1	ZINC001081903843	905278747	/nfs/dbraw/zinc/27/87/47/905278747.db2.gz	RPQBXSWHSXWQTH-SJLPKXTDSA-N	1	0	357.454	1.601	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@@]3(CNC(=O)CCCF)CCC[C@@H]23)C1=O	ZINC001107506820	905291032	/nfs/dbraw/zinc/29/10/32/905291032.db2.gz	OLEWSDBMCRFXPE-FRQCXROJSA-N	1	0	351.466	1.884	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3Cc4ccccc43)CCC[C@@H]12	ZINC001107522448	905299437	/nfs/dbraw/zinc/29/94/37/905299437.db2.gz	BRNNNBDUJFBUGE-WOIUINJBSA-N	1	0	365.477	1.437	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3csc(C)n3)CCC[C@@H]12	ZINC001107516926	905319891	/nfs/dbraw/zinc/31/98/91/905319891.db2.gz	MIKWWAOHIFJBCA-CRAIPNDOSA-N	1	0	362.499	1.728	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(F)c(C)c3)CCC[C@@H]12	ZINC001107524323	905369643	/nfs/dbraw/zinc/36/96/43/905369643.db2.gz	TVTZNHZOQZRGDN-WIYYLYMNSA-N	1	0	371.456	1.858	20	30		FDEDRO
N#Cc1ccccc1C[N@@H+]1CC[C@@]2(CNC(=O)C3(C(N)=O)CC3)CCC[C@@H]12	ZINC001107528090	905388024	/nfs/dbraw/zinc/38/80/24/905388024.db2.gz	MLCSAQYRZSCJLL-YLJYHZDGSA-N	1	0	366.465	1.685	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3occc3Cl)CCC[C@@H]12	ZINC001107533836	905403345	/nfs/dbraw/zinc/40/33/45/905403345.db2.gz	IOCYLGRMSAVWOA-RDTXWAMCSA-N	1	0	363.845	1.657	20	30		FDEDRO
Cc1ccn(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]2C)n1	ZINC001080467917	905476822	/nfs/dbraw/zinc/47/68/22/905476822.db2.gz	MXSHNUCNMSDJRA-DNVCBOLYSA-N	1	0	367.453	1.731	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC([NH+]2CCN(CCCF)CC2)CC1	ZINC000996788277	905486945	/nfs/dbraw/zinc/48/69/45/905486945.db2.gz	BKXLHDHLOFFEQH-GMNCBBECSA-N	1	0	367.509	1.982	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)CCc3cnn(C)n3)CCC[C@@H]12	ZINC001107550700	905503050	/nfs/dbraw/zinc/50/30/50/905503050.db2.gz	JLHPWVFAQDAHIV-IEBWSBKVSA-N	1	0	361.490	1.311	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CCC[C@@H]12	ZINC001107554762	905570523	/nfs/dbraw/zinc/57/05/23/905570523.db2.gz	MFXVOKOHOXRYHH-ISIBIEBGSA-N	1	0	361.486	1.217	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](CC)NC(C)=O)CCC[C@@H]12	ZINC001107557872	905587798	/nfs/dbraw/zinc/58/77/98/905587798.db2.gz	MARJEBKIPZIIAM-YQVWRLOYSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)[C@H](OC)C1	ZINC001082049814	905618658	/nfs/dbraw/zinc/61/86/58/905618658.db2.gz	CBUGHQYIGFBGJK-GVDBMIGSSA-N	1	0	365.518	1.805	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@H](NC(=O)C[N@@H+](C)CCC)CC1	ZINC001060769641	905655063	/nfs/dbraw/zinc/65/50/63/905655063.db2.gz	TWVLSSIDEQEWNU-TVFCKZIOSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1C	ZINC001080597281	905716775	/nfs/dbraw/zinc/71/67/75/905716775.db2.gz	YOONTULSXPPFHG-NTDBWNAOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2C)nn1	ZINC001080579098	905734333	/nfs/dbraw/zinc/73/43/33/905734333.db2.gz	OGDWVJKZXPIKHZ-RHSMWYFYSA-N	1	0	350.426	1.586	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2C)nn1	ZINC001080584866	905745943	/nfs/dbraw/zinc/74/59/43/905745943.db2.gz	UIFWDDMAVZEZRA-CRAIPNDOSA-N	1	0	364.453	1.976	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cnoc3C3CC3)CCC[C@@H]12	ZINC001107594607	905882541	/nfs/dbraw/zinc/88/25/41/905882541.db2.gz	QFARUDPNBTUMLT-DNVCBOLYSA-N	1	0	371.441	1.166	20	30		FDEDRO
C=CCCOCC(=O)N1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001082136831	905951219	/nfs/dbraw/zinc/95/12/19/905951219.db2.gz	GJKJNMYRZPTBNT-IXDOHACOSA-N	1	0	351.491	1.417	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCCC(=O)N(C)C)CCC[C@@H]12	ZINC001107612142	905975813	/nfs/dbraw/zinc/97/58/13/905975813.db2.gz	SXRVKUIRDGEQGK-YLJYHZDGSA-N	1	0	363.502	1.256	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccccc3OC)CCC[C@@H]12	ZINC001107614972	905999724	/nfs/dbraw/zinc/99/97/24/905999724.db2.gz	PCDAXCPNELFPPQ-WIYYLYMNSA-N	1	0	369.465	1.419	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)c3ccc(F)cc3)CCC[C@@H]12	ZINC001107625112	906036201	/nfs/dbraw/zinc/03/62/01/906036201.db2.gz	HCMLXOOKPVHKMG-WIYYLYMNSA-N	1	0	371.456	1.940	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)c3ccc(CC)cc3)C[C@H]2O)C1	ZINC001077641807	906036252	/nfs/dbraw/zinc/03/62/52/906036252.db2.gz	IVAHCNWMYMXALT-GUDVDZBRSA-N	1	0	358.482	1.800	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CNS(=O)(=O)CCCC)CCC[C@@H]12	ZINC001107620246	906053510	/nfs/dbraw/zinc/05/35/10/906053510.db2.gz	FRBNGIQWMCTKLI-SJLPKXTDSA-N	1	0	369.531	1.090	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)CCCN(C)C(C)=O)CCC[C@@H]12	ZINC001107621712	906065797	/nfs/dbraw/zinc/06/57/97/906065797.db2.gz	UONVNZFRWMPGBQ-UYAOXDASSA-N	1	0	365.518	1.808	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)C(C)(C)C)CCC[C@@H]12	ZINC001107632036	906081300	/nfs/dbraw/zinc/08/13/00/906081300.db2.gz	NBXHYMAXTAWRRN-OXQOHEQNSA-N	1	0	365.518	1.712	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C(N)=O)cc3)CCC[C@@H]12	ZINC001107630034	906117737	/nfs/dbraw/zinc/11/77/37/906117737.db2.gz	VQMKVIVVCSHYPB-WIYYLYMNSA-N	1	0	369.465	1.410	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3ccc(C)o3)CCC[C@@H]12	ZINC001107645253	906170276	/nfs/dbraw/zinc/17/02/76/906170276.db2.gz	SVIDJUINESGNAO-WIYYLYMNSA-N	1	0	371.481	1.631	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)CCNC(=O)c3cnccn3)CCC[C@@H]12	ZINC001107639039	906188994	/nfs/dbraw/zinc/18/89/94/906188994.db2.gz	SNUHBZCMEDTAKX-VQIMIIECSA-N	1	0	357.458	1.143	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C)nc3C)CCC[C@@H]12	ZINC001107639644	906191097	/nfs/dbraw/zinc/19/10/97/906191097.db2.gz	AONSNODOFSRTGS-WIYYLYMNSA-N	1	0	368.481	1.422	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCS3(=O)=O)CCC[C@@H]12	ZINC001107639177	906191210	/nfs/dbraw/zinc/19/12/10/906191210.db2.gz	ZKCIHCYWCDRUIS-JFIYKMOQSA-N	1	0	354.516	1.891	20	30		FDEDRO
Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)c(C)n1	ZINC001107639682	906191456	/nfs/dbraw/zinc/19/14/56/906191456.db2.gz	CNTQDWWQUGMZSE-YLJYHZDGSA-N	1	0	369.469	1.313	20	30		FDEDRO
CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CC#Cc3ccccc3)CCC[C@@H]12	ZINC001107640722	906199525	/nfs/dbraw/zinc/19/95/25/906199525.db2.gz	GUCLXAGSIGZSKV-WIYYLYMNSA-N	1	0	353.466	1.535	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CCc3ccc(Cl)cc3)C[C@H]2O)c1	ZINC001077648563	906213196	/nfs/dbraw/zinc/21/31/96/906213196.db2.gz	MAIHZFJMRFNHAB-RTBURBONSA-N	1	0	369.852	1.734	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnnn1CC)CC2	ZINC001107651244	906228936	/nfs/dbraw/zinc/22/89/36/906228936.db2.gz	WEYOEAWPLJQQSJ-KVSKMBFKSA-N	1	0	361.490	1.750	20	30		FDEDRO
C=CCCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCCC)CC2	ZINC001107649128	906281034	/nfs/dbraw/zinc/28/10/34/906281034.db2.gz	HXXZYGMLBREQHR-VQIMIIECSA-N	1	0	351.491	1.466	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCn3nc(C)nc3C)C[C@H]2C)nc1	ZINC001080808222	906298086	/nfs/dbraw/zinc/29/80/86/906298086.db2.gz	OYKVFAZGCGVRRC-FZKQIMNGSA-N	1	0	352.442	1.022	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1OC	ZINC001082227535	906421573	/nfs/dbraw/zinc/42/15/73/906421573.db2.gz	RIRUFYNIGCUOHC-MLHJIOFPSA-N	1	0	352.475	1.352	20	30		FDEDRO
C=C(Br)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCN(C(C)=O)C2)C1	ZINC001080855770	906455452	/nfs/dbraw/zinc/45/54/52/906455452.db2.gz	AKYKRGFTJMPLJM-LERXQTSPSA-N	1	0	358.280	1.200	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2	ZINC001082328177	906775041	/nfs/dbraw/zinc/77/50/41/906775041.db2.gz	HMZVRZZDOMGOQB-HZPDHXFCSA-N	1	0	360.483	1.031	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCc3scnc3C)C[C@H]2OC)nc1	ZINC001082333395	906826085	/nfs/dbraw/zinc/82/60/85/906826085.db2.gz	FSBOSROZZRMJKZ-IAGOWNOFSA-N	1	0	370.478	1.500	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@H]1O	ZINC001077694475	906895991	/nfs/dbraw/zinc/89/59/91/906895991.db2.gz	TZIHIRABPDLOAL-MKXGPGLRSA-N	1	0	367.449	1.487	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@H]1O	ZINC001077694303	906896067	/nfs/dbraw/zinc/89/60/67/906896067.db2.gz	LJKLAKKSUYCZMS-WTGUMLROSA-N	1	0	356.466	1.428	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1OC	ZINC001082345328	906935550	/nfs/dbraw/zinc/93/55/50/906935550.db2.gz	FCFIESWPSNPVLE-XUVXKRRUSA-N	1	0	356.466	1.595	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)Cc3ccc(C)s3)C2)C1=O	ZINC001080996035	906964744	/nfs/dbraw/zinc/96/47/44/906964744.db2.gz	AZHDXDDRVUYNKW-XYPHTWIQSA-N	1	0	361.511	1.822	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(CC(F)(F)C(F)F)C[C@H]2C)CC1	ZINC001080997911	906974240	/nfs/dbraw/zinc/97/42/40/906974240.db2.gz	OOPCNXWPDVEZBY-TZMCWYRMSA-N	1	0	363.399	1.669	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COC[C@@H]1CCOC1)C2	ZINC001112539418	907079215	/nfs/dbraw/zinc/07/92/15/907079215.db2.gz	ZIQLRAFWINCRIY-HBFSDRIKSA-N	1	0	366.502	1.460	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)C(F)F)C[C@H]2c2ccccc2)C1=O	ZINC001081074695	907174470	/nfs/dbraw/zinc/17/44/70/907174470.db2.gz	OAWRNHQOWATYSM-ARFHVFGLSA-N	1	0	363.408	1.623	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C(=O)CC)C[C@H]1c1ccccc1	ZINC001081120448	907175635	/nfs/dbraw/zinc/17/56/35/907175635.db2.gz	APEZWEKJRGJXJR-XUVXKRRUSA-N	1	0	367.493	1.995	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1c1ccccc1	ZINC001081106618	907197362	/nfs/dbraw/zinc/19/73/62/907197362.db2.gz	QRPFDFLADQVMCO-IXDOHACOSA-N	1	0	361.873	1.849	20	30		FDEDRO
Cn1cc(CC[NH2+][C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2c2ccccc2)cn1	ZINC001081114643	907211274	/nfs/dbraw/zinc/21/12/74/907211274.db2.gz	FKWKMRXEJSRZGT-LEWJYISDSA-N	1	0	362.477	1.960	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1c1ccccc1	ZINC001081130110	907229670	/nfs/dbraw/zinc/22/96/70/907229670.db2.gz	WHTFNBNHRMIMQP-IXDOHACOSA-N	1	0	361.873	1.849	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([NH2+]CC(=O)N2CCCC2)CC1	ZINC000997075715	907231895	/nfs/dbraw/zinc/23/18/95/907231895.db2.gz	AZVGOJNJCAKODA-HKUYNNGSSA-N	1	0	363.502	1.561	20	30		FDEDRO
CO[C@@H]1CN(Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C[NH+]1CCCC1	ZINC001082371235	907232558	/nfs/dbraw/zinc/23/25/58/907232558.db2.gz	YRAIXGWPDTZMHR-QZTJIDSGSA-N	1	0	360.433	1.109	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cn2c(C)csc2=O)C[C@H]1c1ccccc1	ZINC001081224569	907336044	/nfs/dbraw/zinc/33/60/44/907336044.db2.gz	NGOMGZBEBUUMTC-DLBZAZTESA-N	1	0	357.479	1.988	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1OC	ZINC001082384656	907390903	/nfs/dbraw/zinc/39/09/03/907390903.db2.gz	GWPQMFUMXAWCJE-HSALFYBXSA-N	1	0	370.497	1.748	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cn2c(C)c(C)sc2=O)C[C@H]1c1ccccc1	ZINC001081229941	907429405	/nfs/dbraw/zinc/42/94/05/907429405.db2.gz	HZDKNBMQPDNSMU-ZWKOTPCHSA-N	1	0	369.490	1.744	20	30		FDEDRO
C=CC[NH2+]Cc1ccncc1O[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C=C)C1	ZINC001127898629	907592645	/nfs/dbraw/zinc/59/26/45/907592645.db2.gz	WEMLIMQORRSQSW-KSZLIROESA-N	1	0	357.454	1.928	20	30		FDEDRO
O=S(=O)(NC1CCCC1)c1ccc(N=NC2CC[N@@H+]3CCC[C@@H]23)nc1	ZINC000765572079	907637973	/nfs/dbraw/zinc/63/79/73/907637973.db2.gz	JAWHNPJWRMABCC-INIZCTEOSA-N	1	0	363.487	1.939	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2cccn2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082427868	907673637	/nfs/dbraw/zinc/67/36/37/907673637.db2.gz	ODTJFICGKSRMLS-VQIMIIECSA-N	1	0	367.453	1.812	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCCc3ccccc32)C1	ZINC001082450593	907727699	/nfs/dbraw/zinc/72/76/99/907727699.db2.gz	AVCLTWWDPOEWJH-ZMSDIMECSA-N	1	0	354.454	1.562	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCc3sccc3C2)C1	ZINC001082450791	907730347	/nfs/dbraw/zinc/73/03/47/907730347.db2.gz	IETBGNSKWPZEDU-UMVBOHGHSA-N	1	0	360.483	1.229	20	30		FDEDRO
Cc1c(O)ccc2c(C[NH2+][C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C)cc(=O)oc12	ZINC001082450838	907730563	/nfs/dbraw/zinc/73/05/63/907730563.db2.gz	JHGPNHVBWVUKAQ-HWWQOWPSSA-N	1	0	369.421	1.903	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cc(C)nn3C)C[C@H]2C)cc1C#N	ZINC001082440251	907774151	/nfs/dbraw/zinc/77/41/51/907774151.db2.gz	QAINQZMUGPVSLX-CXAGYDPISA-N	1	0	367.453	1.859	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082443537	907789867	/nfs/dbraw/zinc/78/98/67/907789867.db2.gz	OLMRZGKBGANEEP-RHSMWYFYSA-N	1	0	353.426	1.573	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCOC2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082455741	907851159	/nfs/dbraw/zinc/85/11/59/907851159.db2.gz	CVFRXRYZIUNRDQ-SZVBFZGTSA-N	1	0	357.454	1.952	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1[NH2+]Cc1cc2n(n1)CCCC2	ZINC001082483871	907907785	/nfs/dbraw/zinc/90/77/85/907907785.db2.gz	PQZBWRLYUGEBBE-FZKQIMNGSA-N	1	0	352.442	1.669	20	30		FDEDRO
COc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)on1	ZINC001082484536	907911406	/nfs/dbraw/zinc/91/14/06/907911406.db2.gz	PHZFQVIQIUHQHR-IAQYHMDHSA-N	1	0	358.373	1.944	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC2OCCCO2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082487154	907982860	/nfs/dbraw/zinc/98/28/60/907982860.db2.gz	UEGJQXJQDZJFLB-CXAGYDPISA-N	1	0	361.417	1.787	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082488748	907990160	/nfs/dbraw/zinc/99/01/60/907990160.db2.gz	LWKWJOVKYVDQJS-CRAIPNDOSA-N	1	0	368.441	1.207	20	30		FDEDRO
CCn1nncc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C#N)c2)C1	ZINC001082502200	908096967	/nfs/dbraw/zinc/09/69/67/908096967.db2.gz	IZFGVQRTLUSUEA-CZUORRHYSA-N	1	0	368.441	1.429	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)[nH]1	ZINC001082505201	908120563	/nfs/dbraw/zinc/12/05/63/908120563.db2.gz	MXWUPQRRYNCRPH-CXAGYDPISA-N	1	0	368.441	1.195	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1	ZINC001060823180	908160265	/nfs/dbraw/zinc/16/02/65/908160265.db2.gz	KJBHOSBAWBJMDU-DWRORGKVSA-N	1	0	365.518	1.711	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082522923	908234748	/nfs/dbraw/zinc/23/47/48/908234748.db2.gz	LQHJTUNWDCZPDV-CAUGKJMWSA-N	1	0	355.438	1.562	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccn3nnnc23)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082533163	908295399	/nfs/dbraw/zinc/29/53/99/908295399.db2.gz	JMCMLYYUYBVARL-IAQYHMDHSA-N	1	0	367.438	1.308	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2coc(C)c2)CC1	ZINC000997357669	908326380	/nfs/dbraw/zinc/32/63/80/908326380.db2.gz	NIPNOYDLSBTKMO-QYZOEREBSA-N	1	0	369.465	1.795	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2coc(C)n2)CC1	ZINC000997357993	908327697	/nfs/dbraw/zinc/32/76/97/908327697.db2.gz	STUXKAWTNSFXPS-RYRKJORJSA-N	1	0	370.453	1.190	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(C#N)c[nH]1	ZINC000997365322	908354844	/nfs/dbraw/zinc/35/48/44/908354844.db2.gz	SCAXKACRGXYWDD-FZCLSBEQSA-N	1	0	369.469	1.622	20	30		FDEDRO
C[C@H]([NH2+]CCCCC#N)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1	ZINC000765730782	908372526	/nfs/dbraw/zinc/37/25/26/908372526.db2.gz	NYYIFSDBIYTHQB-ZDUSSCGKSA-N	1	0	373.500	1.757	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)Cc3cnccc3C)C[C@H]2C)C1=O	ZINC001082568297	908709435	/nfs/dbraw/zinc/70/94/35/908709435.db2.gz	LMOYASDWUKGMRZ-BPQIPLTHSA-N	1	0	356.470	1.156	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)c2ccccc2)C1	ZINC001082568542	908710440	/nfs/dbraw/zinc/71/04/40/908710440.db2.gz	CAAQCJONVJTMEU-RSPOEFSDSA-N	1	0	355.482	1.254	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082569027	908714614	/nfs/dbraw/zinc/71/46/14/908714614.db2.gz	GAEHEOZHZZCKJM-SJKOYZFVSA-N	1	0	369.400	1.041	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc3nonc3c2)C1	ZINC001082568867	908715060	/nfs/dbraw/zinc/71/50/60/908715060.db2.gz	WDNHPLWHTXDGGY-ZMYBRWDISA-N	1	0	367.453	1.257	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082578810	908765342	/nfs/dbraw/zinc/76/53/42/908765342.db2.gz	MLARVAXHLGJXBV-BDJLRTHQSA-N	1	0	355.373	1.443	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)CC1	ZINC001060849189	908871079	/nfs/dbraw/zinc/87/10/79/908871079.db2.gz	PITXHVACROOORH-ZKXLYKBJSA-N	1	0	365.518	1.709	20	30		FDEDRO
COc1cc(/C=C/C(=O)NCCC[NH+]2CCC(O)CC2)ccc1OCC#N	ZINC000265622239	908901427	/nfs/dbraw/zinc/90/14/27/908901427.db2.gz	QTBIMXBXAAITDN-GQCTYLIASA-N	1	0	373.453	1.574	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1	ZINC001082600133	908962055	/nfs/dbraw/zinc/96/20/55/908962055.db2.gz	BZVQKDFQBLPMFB-FVQBIDKESA-N	1	0	371.437	1.107	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@H+](CCCCCOC)C[C@H]1OC)OCC	ZINC001212354767	909071649	/nfs/dbraw/zinc/07/16/49/909071649.db2.gz	JCQZGMRKJWHZQK-KZNAEPCWSA-N	1	0	356.507	1.990	20	30		FDEDRO
COc1nccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)n1	ZINC001082636313	909232231	/nfs/dbraw/zinc/23/22/31/909232231.db2.gz	KMYPQUPQTGKCKQ-CXAGYDPISA-N	1	0	351.410	1.607	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2ccnc(OC)n2)C[C@H]1C	ZINC001082636454	909234395	/nfs/dbraw/zinc/23/43/95/909234395.db2.gz	UQUMETKPEFOQFA-BXKDBHETSA-N	1	0	355.236	1.444	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]2O)nn1	ZINC001077812666	909281627	/nfs/dbraw/zinc/28/16/27/909281627.db2.gz	LTGCKFFWOJXRFJ-SJLPKXTDSA-N	1	0	359.474	1.520	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)CCOc2cccc(F)c2)[C@H](OC)C1	ZINC001212370306	909289452	/nfs/dbraw/zinc/28/94/52/909289452.db2.gz	LTEUWPDZROAKPX-QZTJIDSGSA-N	1	0	366.433	1.613	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cn3cncc3C)C[C@H]2C)cc1C#N	ZINC001082646457	909313686	/nfs/dbraw/zinc/31/36/86/909313686.db2.gz	XLZKSJDCZJQBFS-RDTXWAMCSA-N	1	0	367.453	1.709	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccc(=O)[nH]c2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082648627	909334512	/nfs/dbraw/zinc/33/45/12/909334512.db2.gz	LZXDOISSGDQCQM-MLGOLLRUSA-N	1	0	356.451	1.900	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082653180	909366953	/nfs/dbraw/zinc/36/69/53/909366953.db2.gz	YJLMYDBWSKKATJ-XSLPSNAGSA-N	1	0	357.479	1.980	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc(C4CC4)on3)C[C@H]2C)C1=O	ZINC001082670490	909487900	/nfs/dbraw/zinc/48/79/00/909487900.db2.gz	UDAKGYBOTWGVIY-XNRPHZJLSA-N	1	0	358.442	1.389	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C2(n3cnnn3)CCCCC2)C[C@H]1C	ZINC001082682514	909602799	/nfs/dbraw/zinc/60/27/99/909602799.db2.gz	UPOWTWYZAUHAEZ-TZMCWYRMSA-N	1	0	352.870	1.522	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)C3(C(F)F)CCC3)C[C@H]2C)C1=O	ZINC001082702379	909622094	/nfs/dbraw/zinc/62/20/94/909622094.db2.gz	COAAMQZMFVNEMI-MGPQQGTHSA-N	1	0	355.429	1.645	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082696970	909651310	/nfs/dbraw/zinc/65/13/10/909651310.db2.gz	FSUDGQPSYSLJMB-ZTQAJYAQSA-N	1	0	354.454	1.411	20	30		FDEDRO
Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001082697627	909655045	/nfs/dbraw/zinc/65/50/45/909655045.db2.gz	OFDMOPRKKBDIIC-MLGOLLRUSA-N	1	0	351.410	1.613	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082710930	909767982	/nfs/dbraw/zinc/76/79/82/909767982.db2.gz	YSAYFNJVYKBBFZ-BDJLRTHQSA-N	1	0	355.373	1.031	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H]3CCN(c4ccn(C)n4)C3=O)C2)C1	ZINC001082729528	909859862	/nfs/dbraw/zinc/85/98/62/909859862.db2.gz	HSWFVUICRCRPMG-OWCLPIDISA-N	1	0	371.485	1.318	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H]3CCN(C(C)C)C3=O)C2)c1	ZINC001082730014	909862795	/nfs/dbraw/zinc/86/27/95/909862795.db2.gz	VPRJBWBFGQOJOV-FHLIZLRMSA-N	1	0	354.454	1.122	20	30		FDEDRO
C=CCC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)CC2	ZINC001128004719	909867480	/nfs/dbraw/zinc/86/74/80/909867480.db2.gz	DJQQNOFLPCLABH-RRFJBIMHSA-N	1	0	369.473	1.292	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)cc1	ZINC000843069274	909878758	/nfs/dbraw/zinc/87/87/58/909878758.db2.gz	OZLMPJGAOFJQOQ-DOTOQJQBSA-N	1	0	356.378	1.350	20	30		FDEDRO
C=CCNCc1nnc2n1CC[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CC2	ZINC001128006367	909892884	/nfs/dbraw/zinc/89/28/84/909892884.db2.gz	RUKGSPCQAIEXIC-OWCLPIDISA-N	1	0	360.506	1.105	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082737536	909913821	/nfs/dbraw/zinc/91/38/21/909913821.db2.gz	CIQLXRHPUYCVRS-SMNXXWJPSA-N	1	0	358.417	1.160	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2ncn(C(C)(C)C)n2)C[C@H]1C	ZINC001082740507	909932931	/nfs/dbraw/zinc/93/29/31/909932931.db2.gz	RRZUHZYOROSMPX-ZYHUDNBSSA-N	1	0	370.295	1.992	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2c3n(c(=O)n2C)CCCC3)C[C@H]1C	ZINC001082744798	909966390	/nfs/dbraw/zinc/96/63/90/909966390.db2.gz	IFDMJYUWEMASFZ-DGCLKSJQSA-N	1	0	352.866	1.326	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cn2ccc(C(F)F)n2)[C@H](OC)C1	ZINC001212381895	909971933	/nfs/dbraw/zinc/97/19/33/909971933.db2.gz	OIBCIMORTWKWMH-BPLDGKMQSA-N	1	0	356.417	1.991	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2nccn3ccnc23)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082749871	909984896	/nfs/dbraw/zinc/98/48/96/909984896.db2.gz	CWIFRTLGBABCSB-RHSMWYFYSA-N	1	0	360.421	1.851	20	30		FDEDRO
C#CCC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@@H]1C[C@H]1C(C)(C)C)CC2	ZINC001128012591	910065469	/nfs/dbraw/zinc/06/54/69/910065469.db2.gz	PQGSMJSRENSJBS-ARFHVFGLSA-N	1	0	357.502	1.894	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CCC[N@H+](CC(=O)N(C)C)CC1	ZINC000998010480	910173544	/nfs/dbraw/zinc/17/35/44/910173544.db2.gz	FJBFHZFOVHOSRR-KSZLIROESA-N	1	0	365.518	1.759	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc4c([nH]3)CCCC4)C[C@H]2C)C1=O	ZINC001082845759	910418637	/nfs/dbraw/zinc/41/86/37/910418637.db2.gz	JOCFSVBMSLDCIC-DKSSEZFCSA-N	1	0	370.497	1.731	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccc4nccn4c3)C[C@H]2C)C1=O	ZINC001082854230	910479512	/nfs/dbraw/zinc/47/95/12/910479512.db2.gz	SSNZZXNMISLTDZ-HYVNUMGLSA-N	1	0	367.453	1.171	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cnn(C(C)C)c3)C[C@H]2C)C1=O	ZINC001082855787	910485350	/nfs/dbraw/zinc/48/53/50/910485350.db2.gz	QUKFWHRGVQLLQZ-DJIMGWMZSA-N	1	0	359.474	1.301	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cccn2)C1	ZINC001082869032	910509677	/nfs/dbraw/zinc/50/96/77/910509677.db2.gz	LCZNYGSFJSSJMY-NVXWUHKLSA-N	1	0	353.426	1.040	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnc(C)cn2)C1	ZINC001082869146	910510830	/nfs/dbraw/zinc/51/08/30/910510830.db2.gz	SNXSMFXUKDDWBU-RDTXWAMCSA-N	1	0	365.437	1.442	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2cnn(C)c2)C1	ZINC001082869102	910511545	/nfs/dbraw/zinc/51/15/45/910511545.db2.gz	PNGYILJNSDYBJD-CRAIPNDOSA-N	1	0	367.453	1.120	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@@H]3CCNC(=O)CC3)C2)cn1	ZINC001082870842	910522121	/nfs/dbraw/zinc/52/21/21/910522121.db2.gz	OKFCNTZXNPOAKD-RVKKMQEKSA-N	1	0	354.454	1.029	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccn2)C1	ZINC001082868613	910563685	/nfs/dbraw/zinc/56/36/85/910563685.db2.gz	JTQHOMVFADAHJN-CRAIPNDOSA-N	1	0	350.422	1.739	20	30		FDEDRO
COc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)cnn1C	ZINC001082886335	910648087	/nfs/dbraw/zinc/64/80/87/910648087.db2.gz	RKLFJAMESFEPBE-CXAGYDPISA-N	1	0	353.426	1.551	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCCC2)C1	ZINC001082885033	910665113	/nfs/dbraw/zinc/66/51/13/910665113.db2.gz	ZECVOSYMJAWADF-VQIMIIECSA-N	1	0	353.466	1.269	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(N)=O)cc2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082914924	910840049	/nfs/dbraw/zinc/84/00/49/910840049.db2.gz	VKRSRIMZXQYAFG-AUUYWEPGSA-N	1	0	362.433	1.907	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc(C)n(C)c3C)C[C@H]2C)C1=O	ZINC001082910306	910845953	/nfs/dbraw/zinc/84/59/53/910845953.db2.gz	IWZJUNCPAOJXCG-JEBQAFNWSA-N	1	0	358.486	1.479	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082911528	910856086	/nfs/dbraw/zinc/85/60/86/910856086.db2.gz	FYYUMNSOXNXFHZ-RDTXWAMCSA-N	1	0	368.412	1.496	20	30		FDEDRO
CCOc1cnc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)cn1	ZINC001082961503	911179074	/nfs/dbraw/zinc/17/90/74/911179074.db2.gz	XMXQRBMLWRXIDU-RDTXWAMCSA-N	1	0	365.437	1.997	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ccc(C#N)s3)C2)C1	ZINC000998785344	911662526	/nfs/dbraw/zinc/66/25/26/911662526.db2.gz	MRDIVCNPJVGPIM-NEQJSVFRSA-N	1	0	360.483	1.613	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CCO[C@@H]3C[N@H+](CCC4CCOCC4)C[C@@H]32)c1	ZINC001083040612	911763236	/nfs/dbraw/zinc/76/32/36/911763236.db2.gz	VOATUIZKWKQZQO-ZWKOTPCHSA-N	1	0	358.442	1.228	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(-c4ccn(C)n4)on3)[C@H]2C1	ZINC001083093118	911979046	/nfs/dbraw/zinc/97/90/46/911979046.db2.gz	RQRPKDRSFIVMJT-FUHWJXTLSA-N	1	0	371.441	1.567	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(NC(C)=O)cn3)[C@H]2C1	ZINC001083100937	912017674	/nfs/dbraw/zinc/01/76/74/912017674.db2.gz	GFSNSJKESJYTSA-ZWKOTPCHSA-N	1	0	358.442	1.531	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC(=O)NC4)[C@@H]3C2)c1	ZINC001084475421	914988383	/nfs/dbraw/zinc/98/83/83/914988383.db2.gz	MBWOXQYMZWIYDF-KZNAEPCWSA-N	1	0	352.438	1.117	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3CC[N@@H+](CCn4nc(C)nc4C)C[C@H]32)c1	ZINC001084648055	915827685	/nfs/dbraw/zinc/82/76/85/915827685.db2.gz	SESUYGXCHUISCO-IEBWSBKVSA-N	1	0	364.453	1.118	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(Cc4ccc(C#N)s4)C[C@H]32)C1	ZINC001084662507	915921762	/nfs/dbraw/zinc/92/17/62/915921762.db2.gz	MSKQNOMHATXJSV-HDMKZQKVSA-N	1	0	358.511	1.994	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1	ZINC000730105234	916137806	/nfs/dbraw/zinc/13/78/06/916137806.db2.gz	DJLVUVYNCKQGJV-IBGZPJMESA-N	1	0	368.481	1.420	20	30		FDEDRO
N#Cc1cccc(/C=C\C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1	ZINC000730218163	916324209	/nfs/dbraw/zinc/32/42/09/916324209.db2.gz	DRUJXZHPKPYIGP-MJRGOJFPSA-N	1	0	352.438	1.512	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCc3ccnn3C)C[C@H]21	ZINC001084712513	916441497	/nfs/dbraw/zinc/44/14/97/916441497.db2.gz	KVYBVTUNYFLBPD-MDNKFWRPSA-N	1	0	372.513	1.867	20	30		FDEDRO
COc1ccc(C#N)cc1CN1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1	ZINC001084830513	917509984	/nfs/dbraw/zinc/50/99/84/917509984.db2.gz	XSPIAPGKQIZOHU-ZIFCJYIRSA-N	1	0	368.481	1.551	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)C4=COCCO4)C[C@@H]32)c1	ZINC001084884152	917974071	/nfs/dbraw/zinc/97/40/71/917974071.db2.gz	FNBSOLKJJXDTKM-MSOLQXFVSA-N	1	0	353.422	1.869	20	30		FDEDRO
Cn1cc(CC(=O)N2CC[C@H]3CC[N@H+](Cc4cccc(C#N)c4)[C@H]3C2)cn1	ZINC001084900503	918123685	/nfs/dbraw/zinc/12/36/85/918123685.db2.gz	AFVTVMQJYWYFIL-UXHICEINSA-N	1	0	363.465	1.957	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cn(C)nc4C)C[C@@H]32)C1=O	ZINC001084906994	918173563	/nfs/dbraw/zinc/17/35/63/918173563.db2.gz	PTDLUOJOBXZIEQ-SZMVWBNQSA-N	1	0	371.485	1.052	20	30		FDEDRO
CN1CCO[C@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)[C@H]3C2)C1	ZINC001084910971	918245995	/nfs/dbraw/zinc/24/59/95/918245995.db2.gz	JYFMJEAMKJUHMJ-AABGKKOBSA-N	1	0	368.481	1.312	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4nn(C)cc4C)C[C@@H]32)C1=O	ZINC001084938469	918587957	/nfs/dbraw/zinc/58/79/57/918587957.db2.gz	KJLTVPUJUINVFY-BBWFWOEESA-N	1	0	371.485	1.052	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)CCc4c[nH]cn4)C[C@@H]32)C1=O	ZINC001084955167	918779869	/nfs/dbraw/zinc/77/98/69/918779869.db2.gz	JJGWXFZITYOFEC-SZMVWBNQSA-N	1	0	371.485	1.052	20	30		FDEDRO
C[NH+](C)CCCNC(=S)NN=C1CCN(C(=O)CC(C)(C)C)CC1	ZINC000731929278	918850678	/nfs/dbraw/zinc/85/06/78/918850678.db2.gz	UPXZOPVBGKZZFX-UHFFFAOYSA-N	1	0	355.552	1.817	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C	ZINC000820510976	918941140	/nfs/dbraw/zinc/94/11/40/918941140.db2.gz	PCDDMCMHPMXKFW-BBWFWOEESA-N	1	0	351.491	1.862	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)c3nc(OC)cc(OC)n3)C[C@@H]21	ZINC001084972521	918983398	/nfs/dbraw/zinc/98/33/98/918983398.db2.gz	JKEUVDAIIZFXPY-CABCVRRESA-N	1	0	360.458	1.996	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c(cc[nH]c4=O)n3)C[C@@H]21	ZINC001084976188	919010488	/nfs/dbraw/zinc/01/04/88/919010488.db2.gz	TWWDXJDFDAFAAF-KDOFPFPSSA-N	1	0	350.422	1.895	20	30		FDEDRO
C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N	ZINC000732200661	919240901	/nfs/dbraw/zinc/24/09/01/919240901.db2.gz	HFUQFIKOGSAANG-IPYPFGDCSA-N	1	0	363.421	1.809	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3COCCN3CC3CCC3)C[C@@H]21	ZINC001084998219	919385853	/nfs/dbraw/zinc/38/58/53/919385853.db2.gz	ANVYEKPIDCMOPH-AABGKKOBSA-N	1	0	359.514	1.433	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N4CCCC4)[C@H]3C2)cc1	ZINC001085003465	919522110	/nfs/dbraw/zinc/52/21/10/919522110.db2.gz	OUEWOSROAREQOD-QUCCMNQESA-N	1	0	365.477	1.827	20	30		FDEDRO
C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC000732463408	919642315	/nfs/dbraw/zinc/64/23/15/919642315.db2.gz	ITYLNEVNXRNXMF-HBDYZSFZSA-N	1	0	363.462	1.075	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)C4CC5(CC5)C4)C[C@@H]32)C1=O	ZINC001085028870	919844994	/nfs/dbraw/zinc/84/49/94/919844994.db2.gz	TUODZPKIGMUBGJ-SZMVWBNQSA-N	1	0	357.498	1.886	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CC[C@H]3CC[N@H+](Cc4cccnc4)[C@H]3C2)nn1	ZINC001085053467	920125787	/nfs/dbraw/zinc/12/57/87/920125787.db2.gz	WSDBLGFWXJXJMR-MJGOQNOKSA-N	1	0	366.469	1.986	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cncn3C)[C@H]2C1	ZINC001085054449	920167428	/nfs/dbraw/zinc/16/74/28/920167428.db2.gz	FCOIFDYRMDZSGR-BVBHFADKSA-N	1	0	358.486	1.824	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4c([nH]c3=O)CCOC4)C[C@@H]21	ZINC001085072304	920487480	/nfs/dbraw/zinc/48/74/80/920487480.db2.gz	RZCOZULWKRLRPQ-KDOFPFPSSA-N	1	0	357.454	1.972	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c(c3)C(=O)NC4=O)C[C@@H]21	ZINC001085077846	920583739	/nfs/dbraw/zinc/58/37/39/920583739.db2.gz	JXGPSBWVYOUTAJ-DYVFJYSZSA-N	1	0	353.422	1.683	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C[NH+](C)C)C(C)C)ccc1F	ZINC000733165031	920713331	/nfs/dbraw/zinc/71/33/31/920713331.db2.gz	GFIMEFAIOSMRJH-HNNXBMFYSA-N	1	0	371.478	1.606	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C[C@@H]21	ZINC001085087240	920727235	/nfs/dbraw/zinc/72/72/35/920727235.db2.gz	FNGZAZHCAWNERX-CABCVRRESA-N	1	0	362.474	1.206	20	30		FDEDRO
C#CCCN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1	ZINC000733200867	920738649	/nfs/dbraw/zinc/73/86/49/920738649.db2.gz	IAYKSJREGIKRJI-MRXNPFEDSA-N	1	0	372.494	1.709	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3CC(F)(F)F)C[C@@H]21	ZINC001085101357	920925822	/nfs/dbraw/zinc/92/58/22/920925822.db2.gz	GNPHRYMRCKZETF-PMPSAXMXSA-N	1	0	357.420	1.959	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c(C)nn(C)c4n3)C[C@@H]21	ZINC001085101529	920926715	/nfs/dbraw/zinc/92/67/15/920926715.db2.gz	OVLFMNUYPUZREP-QAPCUYQASA-N	1	0	351.454	1.836	20	30		FDEDRO
COc1cc2c(cc1C[NH2+]CCNC(=O)C1N=CC=CC1=O)O[C@H](C)C2	ZINC000733334888	920989943	/nfs/dbraw/zinc/98/99/43/920989943.db2.gz	TVLLMWOGVRGJIU-AKDSAVJFSA-N	1	0	357.410	1.635	20	30		FDEDRO
Cc1c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)nnn1C	ZINC001085158002	921864841	/nfs/dbraw/zinc/86/48/41/921864841.db2.gz	GFRJFHQTJOFRFT-IAGOWNOFSA-N	1	0	352.442	1.826	20	30		FDEDRO
Cc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C#N)c[nH]2)n1C1CC1	ZINC001085164210	921912604	/nfs/dbraw/zinc/91/26/04/921912604.db2.gz	VNNPFBIEGKDQBT-HZPDHXFCSA-N	1	0	367.457	1.952	20	30		FDEDRO
CC(C)c1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C#N)c[nH]2)n1C	ZINC001085164231	921912637	/nfs/dbraw/zinc/91/26/37/921912637.db2.gz	WQBMKDCRJVQSKH-HUUCEWRRSA-N	1	0	369.473	1.969	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)[nH]1)C(=O)N1CCCCC1	ZINC001085172340	921984234	/nfs/dbraw/zinc/98/42/34/921984234.db2.gz	WGXUTNLOVNLCEK-DJIMGWMZSA-N	1	0	371.485	1.918	20	30		FDEDRO
Cn1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(C#N)c2)cc1=O	ZINC001085174804	921994422	/nfs/dbraw/zinc/99/44/22/921994422.db2.gz	UZTSDEQDDDFSCX-IAGOWNOFSA-N	1	0	353.426	1.416	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccnn2CC)C1=O	ZINC001085181335	922035990	/nfs/dbraw/zinc/03/59/90/922035990.db2.gz	XFEZADJHNGKDFI-BZUAXINKSA-N	1	0	359.474	1.321	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@](C)(CNc3cnc(C#N)cn3)C2)CC[N@@H+]1C	ZINC001065503493	922333614	/nfs/dbraw/zinc/33/36/14/922333614.db2.gz	AMXMBXGFPJHWKN-FRQCXROJSA-N	1	0	356.474	1.729	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)CC[NH+](C)C)CC1	ZINC001066216640	922607897	/nfs/dbraw/zinc/60/78/97/922607897.db2.gz	CGCADLITFKOKEZ-RYRKJORJSA-N	1	0	351.491	1.417	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3c2ccnc(C#N)n2)CC[N@@H+]1C	ZINC001066201650	922620734	/nfs/dbraw/zinc/62/07/34/922620734.db2.gz	FISFCLXWEULMBX-KLHDSHLOSA-N	1	0	354.458	1.258	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@]1(CO)CCCN(Cc2ccccc2)C1	ZINC000734000210	922779604	/nfs/dbraw/zinc/77/96/04/922779604.db2.gz	OCMVSMYFUBVBAG-RXVVDRJESA-N	1	0	372.513	1.611	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cn2nccn2)cc1F	ZINC001085212458	922798368	/nfs/dbraw/zinc/79/83/68/922798368.db2.gz	ZXOYXJVGTMMUAM-IAGOWNOFSA-N	1	0	356.405	1.506	20	30		FDEDRO
Cn1cnc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)cc1=O	ZINC001085230128	922987512	/nfs/dbraw/zinc/98/75/12/922987512.db2.gz	DGKSLPWDRPHJIL-IAGOWNOFSA-N	1	0	365.437	1.483	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1F	ZINC000734243525	923121057	/nfs/dbraw/zinc/12/10/57/923121057.db2.gz	LCHQDILHZYDPRI-HNNXBMFYSA-N	1	0	367.446	1.619	20	30		FDEDRO
N#Cc1cccc(CS(=O)(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1	ZINC000734244826	923124234	/nfs/dbraw/zinc/12/42/34/923124234.db2.gz	YQRZINHZNHIGIG-GOSISDBHSA-N	1	0	363.483	1.621	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC2N=NC(=O)N2C1	ZINC001085248809	923168841	/nfs/dbraw/zinc/16/88/41/923168841.db2.gz	AKZZGYDXUFBLFA-YNEHKIRRSA-N	1	0	353.854	1.316	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1[nH]nnc1C	ZINC001085293900	923614690	/nfs/dbraw/zinc/61/46/90/923614690.db2.gz	HFSFVAGRVQCZLR-HZPDHXFCSA-N	1	0	368.441	1.824	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(=O)n1C	ZINC001085297201	923626910	/nfs/dbraw/zinc/62/69/10/923626910.db2.gz	QCXGSKJMURBAPB-GHMZBOCLSA-N	1	0	357.252	1.665	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(=O)cn1	ZINC001085312411	923730420	/nfs/dbraw/zinc/73/04/20/923730420.db2.gz	CZEGZQYTZWNPSX-HZPDHXFCSA-N	1	0	351.410	1.472	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnc(C)nc2)nn1	ZINC001085357188	924185236	/nfs/dbraw/zinc/18/52/36/924185236.db2.gz	IBMXRYOACSIYJC-HZPDHXFCSA-N	1	0	355.446	1.393	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H](C)c2cnc(C)cn2)nn1	ZINC001085357157	924185595	/nfs/dbraw/zinc/18/55/95/924185595.db2.gz	HAUXVHSMHOOFNL-BZUAXINKSA-N	1	0	369.473	1.954	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCCC1	ZINC001085359910	924214024	/nfs/dbraw/zinc/21/40/24/924214024.db2.gz	HKEUEXQFMRRUKZ-FAJBIJEISA-N	1	0	363.502	1.607	20	30		FDEDRO
Cn1ncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(C#N)ccc2F)n1	ZINC001085363152	924239492	/nfs/dbraw/zinc/23/94/92/924239492.db2.gz	NSGXJWGLWDHEBU-HZPDHXFCSA-N	1	0	356.405	1.657	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCCC1=O	ZINC001085406218	924481712	/nfs/dbraw/zinc/48/17/12/924481712.db2.gz	UYNJRYARSJOLPX-WOJBJXKFSA-N	1	0	367.493	1.850	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nncn1C	ZINC001085406482	924492025	/nfs/dbraw/zinc/49/20/25/924492025.db2.gz	HOSDLNIFXIMTSV-QZTJIDSGSA-N	1	0	351.454	1.556	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN2C(=O)CCC2=O)c1	ZINC001085417170	924544195	/nfs/dbraw/zinc/54/41/95/924544195.db2.gz	JXJBAHBREUZCPB-IAGOWNOFSA-N	1	0	368.437	1.224	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)NC(=O)NC2CCCCC2)CC1	ZINC000735939891	924687823	/nfs/dbraw/zinc/68/78/23/924687823.db2.gz	KVUMOMKFXLOKIQ-CQSZACIVSA-N	1	0	363.458	1.422	20	30		FDEDRO
Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)n(C)c1=O	ZINC001085434465	924699118	/nfs/dbraw/zinc/69/91/18/924699118.db2.gz	NFBQZHKSURTQEF-IAGOWNOFSA-N	1	0	367.453	1.426	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c(OC)ncnc1OC	ZINC001085440891	924746508	/nfs/dbraw/zinc/74/65/08/924746508.db2.gz	UKTCZCHMLDWYNG-VXGBXAGGSA-N	1	0	354.838	1.877	20	30		FDEDRO
Cn1ccnc1[C@](O)(C[NH2+]Cc1cnc2ccc(C#N)cn12)C(F)(F)F	ZINC000736639436	924863290	/nfs/dbraw/zinc/86/32/90/924863290.db2.gz	XGPODIXLXXHKNY-OAHLLOKOSA-N	1	0	364.331	1.479	20	30		FDEDRO
C#CCSCCNC(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1	ZINC000740487897	925388340	/nfs/dbraw/zinc/38/83/40/925388340.db2.gz	QUACYLZPDDYHMY-UHFFFAOYSA-N	1	0	374.554	1.812	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CCCC[NH+](C)C)cc1	ZINC000740711602	925413758	/nfs/dbraw/zinc/41/37/58/925413758.db2.gz	YYXDCAOXVXBAQR-UHFFFAOYSA-N	1	0	351.472	1.012	20	30		FDEDRO
Cc1nc(Cl)cc(N=NC2CC[NH+](CCN3CCOCC3)CC2)n1	ZINC000741765944	925849233	/nfs/dbraw/zinc/84/92/33/925849233.db2.gz	LPVODXBZAJRPPW-UHFFFAOYSA-N	1	0	352.870	1.634	20	30		FDEDRO
N#CCn1c(CN2CC[C@H](C[NH+]3CCOCC3)C2)nc2ccccc2c1=O	ZINC000741810028	925863563	/nfs/dbraw/zinc/86/35/63/925863563.db2.gz	UYAYAYASGZAOGL-MRXNPFEDSA-N	1	0	367.453	1.074	20	30		FDEDRO
C[NH+](C)[C@@H](CNc1ccc(S(N)(=O)=O)cc1C#N)c1ccsc1	ZINC000742176611	925969248	/nfs/dbraw/zinc/96/92/48/925969248.db2.gz	LGLJXJIACBWRSP-HNNXBMFYSA-N	1	0	350.469	1.982	20	30		FDEDRO
CN(C)c1ccc(C(N)=[NH+]OCC(=O)NCCOc2ccc(F)cc2)cc1	ZINC000742355034	926022717	/nfs/dbraw/zinc/02/27/17/926022717.db2.gz	ZSVMEISKHLWYRI-UHFFFAOYSA-N	1	0	374.416	1.724	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)O1	ZINC001086120979	926050847	/nfs/dbraw/zinc/05/08/47/926050847.db2.gz	WSGZNKFAJUTSOW-DQEVTTJGSA-N	1	0	356.470	1.262	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnc(C)nc2C)[C@@H](n2ccnn2)C1	ZINC001129326806	926149776	/nfs/dbraw/zinc/14/97/76/926149776.db2.gz	MBVIUDMABHJUPB-XWIAVFTESA-N	1	0	369.473	1.695	20	30		FDEDRO
C[C@@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1cccc(NS(C)(=O)=O)c1	ZINC000742722870	926153299	/nfs/dbraw/zinc/15/32/99/926153299.db2.gz	AAOUODXDGXTCHP-GFCCVEGCSA-N	1	0	370.438	1.823	20	30		FDEDRO
C#CCCN1CCN(C(=O)c2ccc(N3CC[NH+](CC)CC3)cc2)CC1	ZINC000743319292	926320437	/nfs/dbraw/zinc/32/04/37/926320437.db2.gz	IFHCRADSCJGNCI-UHFFFAOYSA-N	1	0	354.498	1.610	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)C1	ZINC001086223489	926353501	/nfs/dbraw/zinc/35/35/01/926353501.db2.gz	RZFYAQCUERQUTE-RZFLPCETSA-N	1	0	363.502	1.461	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](CNc3cnc(C#N)cn3)CC2)CC[N@@H+]1C	ZINC001066451162	926365050	/nfs/dbraw/zinc/36/50/50/926365050.db2.gz	SHLLRDBUOJVCOF-KCYZZUKISA-N	1	0	356.474	1.775	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H](c2cccc(F)c2)N2CCOCC2)CC1	ZINC000743490708	926377758	/nfs/dbraw/zinc/37/77/58/926377758.db2.gz	VIHUEGBEMVNSLR-FQEVSTJZSA-N	1	0	373.472	1.803	20	30		FDEDRO
COC(=O)CC[N@H+](CCC(=O)Nc1cccc(C#N)c1)C1CCOCC1	ZINC000744428726	926680346	/nfs/dbraw/zinc/68/03/46/926680346.db2.gz	LYCFZUKSXLNFHB-UHFFFAOYSA-N	1	0	359.426	1.931	20	30		FDEDRO
C=C(Cl)C[N@@H+](CCO)C1CCN(C(=O)[C@]23CCC[C@H]2OCC3)CC1	ZINC001098425692	926716090	/nfs/dbraw/zinc/71/60/90/926716090.db2.gz	DDYWINKVGNJUID-AEFFLSMTSA-N	1	0	356.894	1.983	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@H]3OCC[C@H]3C(C)C)C2)C1=O	ZINC001086368549	926856385	/nfs/dbraw/zinc/85/63/85/926856385.db2.gz	LLTBFJUEZKYVAP-TXTZMMAHSA-N	1	0	363.502	1.319	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@H]2CCc3ncnn32)C1	ZINC001086369717	926866613	/nfs/dbraw/zinc/86/66/13/926866613.db2.gz	XNJSXLQQAIXWBN-HHARLNAUSA-N	1	0	359.474	1.231	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NCC[N@H+]2CC[C@@H](C)C2)ccc1F	ZINC000744798613	926887819	/nfs/dbraw/zinc/88/78/19/926887819.db2.gz	LTEDREIOWMODQY-CYBMUJFWSA-N	1	0	369.462	1.362	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCCN2c2ccc(C#N)nc2)CC[N@@H+]1C	ZINC001066525878	927134862	/nfs/dbraw/zinc/13/48/62/927134862.db2.gz	CRJIPINOAYZYQK-FGTMMUONSA-N	1	0	357.458	1.005	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCCN2c2ccncc2C#N)CC[N@@H+]1C	ZINC001066527209	927139034	/nfs/dbraw/zinc/13/90/34/927139034.db2.gz	VFKUDGQECPGJMF-IXDOHACOSA-N	1	0	357.458	1.005	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CC1SC(=N)NC1=O	ZINC000745437746	927247407	/nfs/dbraw/zinc/24/74/07/927247407.db2.gz	LXXPPUDVLCCDEF-CQSZACIVSA-N	1	0	359.455	1.005	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)CC1	ZINC001066547697	927505876	/nfs/dbraw/zinc/50/58/76/927505876.db2.gz	LBAFXSQFRFVIHX-BBWFWOEESA-N	1	0	351.491	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(OC)ns2)C1	ZINC001086481216	927518713	/nfs/dbraw/zinc/51/87/13/927518713.db2.gz	USLZHAUIMMUICP-GBOPCIDUSA-N	1	0	351.472	1.727	20	30		FDEDRO
N#CCn1cc(NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cn1	ZINC000746344239	927884914	/nfs/dbraw/zinc/88/49/14/927884914.db2.gz	MQINIJJOTKUKJJ-QGZVFWFLSA-N	1	0	366.425	1.298	20	30		FDEDRO
CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2cnn(CC#N)c2)C1	ZINC000746402444	927948920	/nfs/dbraw/zinc/94/89/20/927948920.db2.gz	JGLSCMUNXFMQCQ-AWEZNQCLSA-N	1	0	360.462	1.362	20	30		FDEDRO
CC1CCC([NH+]2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC2)CC1	ZINC000746406981	927950879	/nfs/dbraw/zinc/95/08/79/927950879.db2.gz	PLJDUNXPTLXFHL-UHFFFAOYSA-N	1	0	358.446	1.068	20	30		FDEDRO
Cc1ncn(-c2ncc(Br)nc2C#N)c1CSCC[NH3+]	ZINC001168790556	928027615	/nfs/dbraw/zinc/02/76/15/928027615.db2.gz	OKTYNKVUGYCJKC-UHFFFAOYSA-N	1	0	353.249	1.797	20	30		FDEDRO
C=CCOC(=O)CC[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)OCC=C	ZINC001169109956	928309846	/nfs/dbraw/zinc/30/98/46/928309846.db2.gz	JUKQFHILJGNTPT-NXOAAHMSSA-N	1	0	350.459	1.808	20	30		FDEDRO
C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CC(C)(C)S	ZINC001169178420	928340417	/nfs/dbraw/zinc/34/04/17/928340417.db2.gz	XACRBLBWJHCQEP-LBPRGKRZSA-N	1	0	367.519	1.291	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cn1cc2c(c(C#N)c1=O)CCC2	ZINC000766630861	928362779	/nfs/dbraw/zinc/36/27/79/928362779.db2.gz	BEWRVUYRYDWOLY-ATZDWAIDSA-N	1	0	356.470	1.350	20	30		FDEDRO
COc1ccc(C(=NO)Nc2ncccc2C(=O)NCCC[NH+](C)C)nc1	ZINC001169600747	928773964	/nfs/dbraw/zinc/77/39/64/928773964.db2.gz	YEKYZZHRADKKOU-UHFFFAOYSA-N	1	0	372.429	1.415	20	30		FDEDRO
C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@@H+]([C@H]1CCCN(C(C)=O)C1)C2	ZINC001169604137	928778750	/nfs/dbraw/zinc/77/87/50/928778750.db2.gz	BKVJQCJBIKCZCZ-ICSRJNTNSA-N	1	0	362.518	1.180	20	30		FDEDRO
C=CCCC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3OCC[C@H]3C(C)C)CC2=O)C1	ZINC001108545348	928904600	/nfs/dbraw/zinc/90/46/00/928904600.db2.gz	UDLODVBUAACETC-IEZWGBDMSA-N	1	0	363.502	1.415	20	30		FDEDRO
COC(=O)n1ncc(C#N)c1Nc1ccc(OCC[NH+]2CCCC2)nn1	ZINC001169965187	928981481	/nfs/dbraw/zinc/98/14/81/928981481.db2.gz	MVZZRMQIEMLPDO-UHFFFAOYSA-N	1	0	357.374	1.377	20	30		FDEDRO
COC(=O)n1ncc(C#N)c1Nc1ncccc1C(=O)NCCC[NH+](C)C	ZINC001169965201	928981543	/nfs/dbraw/zinc/98/15/43/928981543.db2.gz	NSNXCWYCTZYMTH-UHFFFAOYSA-N	1	0	371.401	1.189	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(Cc3nc4ccccc4c(=O)n3CC#N)CC[C@H]21	ZINC000766989708	929014343	/nfs/dbraw/zinc/01/43/43/929014343.db2.gz	KFEPDJKFSLSDKI-CRAIPNDOSA-N	1	0	351.454	1.836	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(OC)nn2)[C@@H](n2ccnn2)C1	ZINC001129365476	929264885	/nfs/dbraw/zinc/26/48/85/929264885.db2.gz	BQXAIXPYZUXFBX-BMFZPTHFSA-N	1	0	371.445	1.087	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnc(OC)nc2)[C@@H](n2ccnn2)C1	ZINC001129366325	929281257	/nfs/dbraw/zinc/28/12/57/929281257.db2.gz	PHCXLNWRXGIHMX-BMFZPTHFSA-N	1	0	371.445	1.087	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cnnn3)cn1)C2	ZINC001109548957	929733618	/nfs/dbraw/zinc/73/36/18/929733618.db2.gz	BQWACYVNNGEGQR-DACLVMHWSA-N	1	0	367.457	1.747	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)nc1[C@@H]1CCOC1)C2	ZINC001109563017	929782376	/nfs/dbraw/zinc/78/23/76/929782376.db2.gz	FCWAKIMVRRTLNV-LMSBXDPUSA-N	1	0	374.485	1.462	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCCOC	ZINC001109597814	929910164	/nfs/dbraw/zinc/91/01/64/929910164.db2.gz	XMLSFQANOYIUBP-QZWWFDLISA-N	1	0	354.491	1.334	20	30		FDEDRO
C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCNC(C)=O	ZINC001109604319	929926964	/nfs/dbraw/zinc/92/69/64/929926964.db2.gz	CWIZLQKULKUNCO-QYZOEREBSA-N	1	0	363.502	1.444	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC1CCC1)NC(C)=O)C2	ZINC001109641604	929977908	/nfs/dbraw/zinc/97/79/08/929977908.db2.gz	LWZOIVNFNINFAX-HCXYKTFWSA-N	1	0	363.502	1.605	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2cn[nH]n2)C3)cc1	ZINC001109737017	930302040	/nfs/dbraw/zinc/30/20/40/930302040.db2.gz	QJSVLXYHYPPNDZ-SQNIBIBYSA-N	1	0	350.426	1.531	20	30		FDEDRO
CC[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1	ZINC001109749846	930324333	/nfs/dbraw/zinc/32/43/33/930324333.db2.gz	NNODNBBYNYUVAA-YRXWBPOGSA-N	1	0	354.454	1.694	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1C(=O)Cc3ccccc31)C2	ZINC001109762275	930355016	/nfs/dbraw/zinc/35/50/16/930355016.db2.gz	LPSPYFVDRJOVAA-AOIWGVFYSA-N	1	0	369.465	1.500	20	30		FDEDRO
COCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1	ZINC001109791291	930447473	/nfs/dbraw/zinc/44/74/73/930447473.db2.gz	VTTYOIWBEFQKRS-VLQPXKRTSA-N	1	0	357.454	1.831	20	30		FDEDRO
CN(C)C(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OCC#N)cc1	ZINC001109811472	930508397	/nfs/dbraw/zinc/50/83/97/930508397.db2.gz	PIEYOHWCALHGLR-NJAFHUGGSA-N	1	0	370.453	1.289	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](OCC)C2CC2)nn1	ZINC001109814212	930516237	/nfs/dbraw/zinc/51/62/37/930516237.db2.gz	RHABZJQBLMNNGN-FZCLSBEQSA-N	1	0	359.474	1.614	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(n3cnnn3)CCOCC1)C2	ZINC001109822904	930544032	/nfs/dbraw/zinc/54/40/32/930544032.db2.gz	JNUCMDCFYTYOGE-YVSFHVDLSA-N	1	0	374.489	1.255	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@H]1CC(=O)N(c2c(F)cccc2F)C1	ZINC000771286947	930550343	/nfs/dbraw/zinc/55/03/43/930550343.db2.gz	HXTLONLJUCPBDX-UONOGXRCSA-N	1	0	362.376	1.959	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3ccnc3)nn1)C2	ZINC001109835415	930568195	/nfs/dbraw/zinc/56/81/95/930568195.db2.gz	HOMKOJXYDVZTKL-PVAVHDDUSA-N	1	0	368.441	1.200	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1	ZINC000771322936	930589696	/nfs/dbraw/zinc/58/96/96/930589696.db2.gz	GLRCGLUTGHFSTI-UHFFFAOYSA-N	1	0	372.513	1.914	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2	ZINC001109878385	930678422	/nfs/dbraw/zinc/67/84/22/930678422.db2.gz	VPNFCTNOITUKNT-MHORFTMASA-N	1	0	362.518	1.131	20	30		FDEDRO
C[C@@H]1[C@H](C)N(CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC[N@H+]1C	ZINC000771466988	930702210	/nfs/dbraw/zinc/70/22/10/930702210.db2.gz	OAAWBTWZXBFIMJ-VNHYZAJKSA-N	1	0	353.426	1.536	20	30		FDEDRO
CC(=NNCC(C)C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1	ZINC000771568338	930748217	/nfs/dbraw/zinc/74/82/17/930748217.db2.gz	YWIFLVFOBYEGPT-UHFFFAOYSA-N	1	0	354.520	1.886	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)c1cscn1)C2	ZINC001109939494	930826423	/nfs/dbraw/zinc/82/64/23/930826423.db2.gz	NTAIFIAOCJYIIB-NYTXWWLZSA-N	1	0	362.499	1.949	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC(=O)NCC2CC2)C3)cc1	ZINC001109951835	930859998	/nfs/dbraw/zinc/85/99/98/930859998.db2.gz	DTPBVDIRGXICPQ-QYZOEREBSA-N	1	0	366.465	1.696	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc(OCC3CC3)cn1)C2	ZINC001109970084	930914903	/nfs/dbraw/zinc/91/49/03/930914903.db2.gz	NCOJCDHWTVZGPQ-RYRKJORJSA-N	1	0	372.469	1.803	20	30		FDEDRO
C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1C#N	ZINC001109977386	930935721	/nfs/dbraw/zinc/93/57/21/930935721.db2.gz	HIRIKNNUAXZQCH-QYZOEREBSA-N	1	0	356.470	1.358	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)NCc2ccccc2OC)CC1	ZINC000772109685	931078923	/nfs/dbraw/zinc/07/89/23/931078923.db2.gz	GDVYKVSHQXVMNV-HNNXBMFYSA-N	1	0	358.438	1.588	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)N2CCc3ccccc3C2)CC1	ZINC000772114286	931082109	/nfs/dbraw/zinc/08/21/09/931082109.db2.gz	YYVMRTDWWRLDPZ-MRXNPFEDSA-N	1	0	354.450	1.848	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1NC(=O)NC1=O)C2	ZINC001110077415	931411075	/nfs/dbraw/zinc/41/10/75/931411075.db2.gz	TUTKJIWNVOKBSS-UGUYLWEFSA-N	1	0	362.474	1.443	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCS(C)(=O)=O)C2	ZINC001112544705	931421043	/nfs/dbraw/zinc/42/10/43/931421043.db2.gz	SLXBQULMAJCERF-WMZOPIPTSA-N	1	0	356.532	1.996	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)cc1C#N	ZINC000785520663	931431822	/nfs/dbraw/zinc/43/18/22/931431822.db2.gz	QCGHJBQEKBJSTC-UHFFFAOYSA-N	1	0	372.469	1.421	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NCCC[N@@H+](C)Cc1ccccc1	ZINC000785528253	931435935	/nfs/dbraw/zinc/43/59/35/931435935.db2.gz	PJZQYEHLLKBMEF-UHFFFAOYSA-N	1	0	368.275	1.650	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1coc(COC)n1)C2	ZINC001112554159	931519353	/nfs/dbraw/zinc/51/93/53/931519353.db2.gz	BYZZAPUMUQZWRW-KXBFYZLASA-N	1	0	361.442	1.303	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c[nH]cc1C1CC1)C2	ZINC001112554307	931519520	/nfs/dbraw/zinc/51/95/20/931519520.db2.gz	KZLJBNKBNHSJMZ-YWZLYKJASA-N	1	0	369.469	1.364	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(OC)nn1)C2	ZINC001112556755	931541938	/nfs/dbraw/zinc/54/19/38/931541938.db2.gz	PPRMHFSGJFPTMC-KXBFYZLASA-N	1	0	360.458	1.520	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnn(C(C)C)c1)C2	ZINC001112561566	931589569	/nfs/dbraw/zinc/58/95/69/931589569.db2.gz	HAUGCWXZYLYRRQ-ICSRJNTNSA-N	1	0	358.486	1.946	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c[nH]nc1-c1cnn(C)c1)C2	ZINC001112561931	931590548	/nfs/dbraw/zinc/59/05/48/931590548.db2.gz	ZPQTXGIUMLPKBE-KXBFYZLASA-N	1	0	354.458	1.828	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)COC)C1	ZINC001112565209	931611248	/nfs/dbraw/zinc/61/12/48/931611248.db2.gz	PGQIOGQKSYYWEE-FIKGOQFSSA-N	1	0	371.481	1.960	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCN1C(C)=O)C2	ZINC001112566026	931617459	/nfs/dbraw/zinc/61/74/59/931617459.db2.gz	GDRJZNBJNHRXGK-BQFCYCMXSA-N	1	0	353.894	1.968	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCN(C)C(C)=O)C2	ZINC001112571021	931653655	/nfs/dbraw/zinc/65/36/55/931653655.db2.gz	AJRAAMLAHCDNOV-ICSRJNTNSA-N	1	0	365.518	1.666	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cncnc1C1CC1)C2	ZINC001112572072	931665444	/nfs/dbraw/zinc/66/54/44/931665444.db2.gz	CKSKSKPBTJIHQU-UWJYYQICSA-N	1	0	368.481	1.836	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)c1cccs1)C2	ZINC001112574059	931680402	/nfs/dbraw/zinc/68/04/02/931680402.db2.gz	LZBLEIFFUGIJKP-KXBFYZLASA-N	1	0	359.495	1.720	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1nccnc1C(N)=O)C2	ZINC001112575329	931703710	/nfs/dbraw/zinc/70/37/10/931703710.db2.gz	DBBCUXLQPRYXLF-LIRRHRJNSA-N	1	0	357.458	1.374	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CS(=O)(=O)NC(C)(C)C)C2	ZINC001112581246	931743308	/nfs/dbraw/zinc/74/33/08/931743308.db2.gz	DTXBPYDCSBJTRY-YJBOKZPZSA-N	1	0	371.547	1.499	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CS(=O)(=O)CCC)C2	ZINC001112581433	931743717	/nfs/dbraw/zinc/74/37/17/931743717.db2.gz	PNZAANORUMOSID-WMZOPIPTSA-N	1	0	356.532	1.996	20	30		FDEDRO
CNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC#Cc1ccccc1)C2	ZINC001112583292	931753611	/nfs/dbraw/zinc/75/36/11/931753611.db2.gz	MKWVXSVCNKGYJK-LZNRXBQRSA-N	1	0	367.493	1.781	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CS(=O)(=O)NC)C2	ZINC001112580864	931762455	/nfs/dbraw/zinc/76/24/55/931762455.db2.gz	KFEGYJQIHBXOJM-WMZOPIPTSA-N	1	0	371.547	1.500	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCN1CC(F)(F)F)C2	ZINC001112585816	931766853	/nfs/dbraw/zinc/76/68/53/931766853.db2.gz	SEXFVPBODDEKCM-ZOBUZTSGSA-N	1	0	357.420	1.865	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](c1cccnc1)N(C)C)C2	ZINC001112586603	931776738	/nfs/dbraw/zinc/77/67/38/931776738.db2.gz	IBYSXDZAGXZANO-ZVDOUQERSA-N	1	0	354.498	1.926	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC(=O)N(C)C1)C2	ZINC001112586900	931778759	/nfs/dbraw/zinc/77/87/59/931778759.db2.gz	VUUMNOFXHOBIAG-VKJFTORMSA-N	1	0	353.894	1.826	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCCC(=O)NC)C2	ZINC001112588633	931798228	/nfs/dbraw/zinc/79/82/28/931798228.db2.gz	LSKPEMAQRJVTOT-PXNSSMCTSA-N	1	0	365.518	1.714	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCc2cnn(C)c2)C1	ZINC001112589650	931807756	/nfs/dbraw/zinc/80/77/56/931807756.db2.gz	LEFTWOBWCYDOOB-KPFFTGBYSA-N	1	0	360.502	1.772	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)N1CCOCC1)C2	ZINC001112593257	931850291	/nfs/dbraw/zinc/85/02/91/931850291.db2.gz	FJJRVERQEANWLC-BQFCYCMXSA-N	1	0	355.910	1.678	20	30		FDEDRO
C[C@](C#N)(NC(=O)COC(=O)CC[N@@H+]1CCc2ccccc2C1)C1CC1	ZINC000786817511	932051252	/nfs/dbraw/zinc/05/12/52/932051252.db2.gz	PVOMGGYGCGDBIM-HXUWFJFHSA-N	1	0	355.438	1.786	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCNc1ncccc1C#N	ZINC000787052165	932147367	/nfs/dbraw/zinc/14/73/67/932147367.db2.gz	CDGCCJQLDJXKJU-OAHLLOKOSA-N	1	0	372.473	1.260	20	30		FDEDRO
C#CCN(C(=O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)C1CCCC1	ZINC000787640252	932353328	/nfs/dbraw/zinc/35/33/28/932353328.db2.gz	PXZRJERUMMVCNK-GOSISDBHSA-N	1	0	359.445	1.949	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=S)NCC(C)(C)C[NH+](C)C)n1	ZINC000788331689	932646048	/nfs/dbraw/zinc/64/60/48/932646048.db2.gz	KLSBKFPZLOMDON-UHFFFAOYSA-N	1	0	365.547	1.427	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1	ZINC001112865108	932659012	/nfs/dbraw/zinc/65/90/12/932659012.db2.gz	UGHDCBOPVUELSL-ZWKOTPCHSA-N	1	0	364.534	1.286	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)NC1COC(C)(C)OC1)C(C)C	ZINC000788443207	932693250	/nfs/dbraw/zinc/69/32/50/932693250.db2.gz	HURBJIULFSLRHN-INIZCTEOSA-N	1	0	367.490	1.069	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)n1	ZINC000789074482	932925514	/nfs/dbraw/zinc/92/55/14/932925514.db2.gz	JCWNSDXREKDPCA-MRXNPFEDSA-N	1	0	363.506	1.651	20	30		FDEDRO
N#CCCn1cc(C[NH+]2CCC3(COC(=O)N3)CC2)c(-c2ccncc2)n1	ZINC000789749032	933177908	/nfs/dbraw/zinc/17/79/08/933177908.db2.gz	IAHPKIZMXRAXGN-UHFFFAOYSA-N	1	0	366.425	1.933	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)n1	ZINC000790104676	933366766	/nfs/dbraw/zinc/36/67/66/933366766.db2.gz	JGEWMCPJTMLCLQ-IBGZPJMESA-N	1	0	358.486	1.898	20	30		FDEDRO
C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1	ZINC001113341163	933586029	/nfs/dbraw/zinc/58/60/29/933586029.db2.gz	MUCMZEXELJGLGY-KURKYZTESA-N	1	0	363.502	1.655	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C	ZINC000790975212	933823805	/nfs/dbraw/zinc/82/38/05/933823805.db2.gz	MYLANCWWBGAAQY-QGZVFWFLSA-N	1	0	357.454	1.874	20	30		FDEDRO
CC#CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnc3nccn3c2)C1	ZINC001086598860	934008212	/nfs/dbraw/zinc/00/82/12/934008212.db2.gz	HWCDTLKKABWHLH-RBUKOAKNSA-N	1	0	359.433	1.950	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCNC(=O)CC2)C1	ZINC001086601305	934124875	/nfs/dbraw/zinc/12/48/75/934124875.db2.gz	OQRQHYKUKKGNMZ-GBESFXJTSA-N	1	0	353.466	1.510	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H]1O	ZINC001090457317	934159560	/nfs/dbraw/zinc/15/95/60/934159560.db2.gz	PURZEZKJUMMZQU-VXGBXAGGSA-N	1	0	371.894	1.066	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@H]1O	ZINC001090459463	934232222	/nfs/dbraw/zinc/23/22/22/934232222.db2.gz	FFSOJNMWHQQZNC-HUUCEWRRSA-N	1	0	365.865	1.004	20	30		FDEDRO
C[N@@H+]1CC[C@]2(CCN(CN3CC(=O)N(Cc4ccccc4C#N)C3=O)C2)C1	ZINC000793765350	934253130	/nfs/dbraw/zinc/25/31/30/934253130.db2.gz	IYQUPZQFGYXENW-FQEVSTJZSA-N	1	0	367.453	1.308	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCCN2C(N)=O)C1	ZINC001086619247	938354104	/nfs/dbraw/zinc/35/41/04/938354104.db2.gz	GVGWJSMKQNRRBN-OTWHNJEPSA-N	1	0	368.481	1.527	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCCN(C)C2=O)C1	ZINC001086619398	938354388	/nfs/dbraw/zinc/35/43/88/938354388.db2.gz	NWNFNQYWWZJSCM-HSALFYBXSA-N	1	0	367.493	1.852	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc(C(=O)NC)n2)C1	ZINC001086622177	938394308	/nfs/dbraw/zinc/39/43/08/938394308.db2.gz	JYVGRSSVLHBUGS-QFBILLFUSA-N	1	0	364.449	1.825	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)CCC=C)C[C@@H]2n2ccnn2)cn1	ZINC001129396829	938402674	/nfs/dbraw/zinc/40/26/74/938402674.db2.gz	NKYHNILRCSDTIK-LZQZEXGQSA-N	1	0	364.453	1.664	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)C2(CCOC)CCC2)[C@@H](n2ccnn2)C1	ZINC001129407390	938404608	/nfs/dbraw/zinc/40/46/08/938404608.db2.gz	MGYPZXFZLUDNPD-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)COCc2cccnc2)[C@@H](n2ccnn2)C1	ZINC001129407922	938405219	/nfs/dbraw/zinc/40/52/19/938405219.db2.gz	XXTLREZONVKJNW-MSOLQXFVSA-N	1	0	370.457	1.198	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)COc2c(C)cccc2C)[C@@H](n2ccnn2)C1	ZINC001129421644	938411502	/nfs/dbraw/zinc/41/15/02/938411502.db2.gz	BQOIXHQARSBKCO-MSOLQXFVSA-N	1	0	367.453	1.339	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2n2ccnn2)CCCCC1	ZINC001129449613	938419788	/nfs/dbraw/zinc/41/97/88/938419788.db2.gz	SKJHEDNPRVPCPX-BBWFWOEESA-N	1	0	361.490	1.527	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CCc2cc(C)sc2C)[C@@H](n2ccnn2)C1	ZINC001129476782	938432719	/nfs/dbraw/zinc/43/27/19/938432719.db2.gz	QHNAZSIKCRVKNI-MSOLQXFVSA-N	1	0	371.510	1.954	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H](C)OCC=C)[C@@H](n2ccnn2)C1	ZINC001129480649	938433888	/nfs/dbraw/zinc/43/38/88/938433888.db2.gz	ADLCAXXUISYAJG-KSZLIROESA-N	1	0	361.490	1.957	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@@H]1n1ccnn1	ZINC001129480742	938433977	/nfs/dbraw/zinc/43/39/77/938433977.db2.gz	BVFXELRFLCUBFV-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC23CCOCC3)[C@@H](n2ccnn2)C1	ZINC001129490776	938442405	/nfs/dbraw/zinc/44/24/05/938442405.db2.gz	NMYUCICYFYNKHR-ZACQAIPSSA-N	1	0	359.474	1.403	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)COC)C[C@@H]2n2ccnn2)CCCC1	ZINC001129490954	938442884	/nfs/dbraw/zinc/44/28/84/938442884.db2.gz	XAGAWHYBRUHPNN-BBWFWOEESA-N	1	0	361.490	1.791	20	30		FDEDRO
C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2c(C)nc(C)[nH]c2=O)C1	ZINC001086623055	938447548	/nfs/dbraw/zinc/44/75/48/938447548.db2.gz	IAMFBJVLXBVFCQ-RBUKOAKNSA-N	1	0	364.449	1.559	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CCOC(C)C)[C@@H](n2ccnn2)C1	ZINC001129656351	938483188	/nfs/dbraw/zinc/48/31/88/938483188.db2.gz	PJLMTWTUCBXOLD-BBWFWOEESA-N	1	0	365.478	1.026	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ncoc2CC)C[C@@H]1n1ccnn1	ZINC001129698963	938488151	/nfs/dbraw/zinc/48/81/51/938488151.db2.gz	CGYWBTSYNZVYGS-ZNMIVQPWSA-N	1	0	358.446	1.839	20	30		FDEDRO
Cc1ccc(CCC[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2n2ccnn2)cc1	ZINC001129677741	938490769	/nfs/dbraw/zinc/49/07/69/938490769.db2.gz	MKBWDLXTSIMNMM-UHOSZYNNSA-N	1	0	366.469	1.721	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H]([NH2+]CC/C=C\CC)[C@@H](n2ccnn2)C1	ZINC001129733252	938496700	/nfs/dbraw/zinc/49/67/00/938496700.db2.gz	PPTQNSVGZFGORK-WIJVFFIESA-N	1	0	361.490	1.959	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H]([NH2+]CCCCCF)[C@@H](n2ccnn2)C1	ZINC001129733064	938496703	/nfs/dbraw/zinc/49/67/03/938496703.db2.gz	MURSYVJBLSBPDS-SJORKVTESA-N	1	0	367.469	1.742	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1n1ccnn1	ZINC001129736885	938497145	/nfs/dbraw/zinc/49/71/45/938497145.db2.gz	AIUYCEJYQUBAEK-XYPHTWIQSA-N	1	0	353.430	1.488	20	30		FDEDRO
CC(C)C[C@H](C)C[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1n1ccnn1	ZINC001129738010	938497856	/nfs/dbraw/zinc/49/78/56/938497856.db2.gz	YKFTXZYVHFESNU-QGTPRVQTSA-N	1	0	369.473	1.815	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ncccc2O)C[C@@H]1n1ccnn1	ZINC001129761896	938502995	/nfs/dbraw/zinc/50/29/95/938502995.db2.gz	BZBNXPXCWANFNC-ZNMIVQPWSA-N	1	0	356.430	1.389	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cncc(F)c2)C[C@@H]1n1ccnn1	ZINC001129742037	938504762	/nfs/dbraw/zinc/50/47/62/938504762.db2.gz	OMIYJDVFEVATBO-XKQJLSEDSA-N	1	0	358.421	1.822	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NCC[NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F	ZINC001129770359	938512118	/nfs/dbraw/zinc/51/21/18/938512118.db2.gz	DTNGKQGRBGPULB-BZSNNMDCSA-N	1	0	361.436	1.839	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1C[C@@H]([NH2+]CC2CC(F)(F)C2)[C@@H](n2ccnn2)C1	ZINC001129824980	938522661	/nfs/dbraw/zinc/52/26/61/938522661.db2.gz	JHDKUAYKVOODPZ-CABCVRRESA-N	1	0	365.428	1.714	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCCO2)[C@@H](n2ccnn2)C1	ZINC001129825125	938522999	/nfs/dbraw/zinc/52/29/99/938522999.db2.gz	MJWLMFFWUXOXRJ-BBWFWOEESA-N	1	0	359.474	1.238	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CC2CC(C)(C)C2)[C@@H](n2ccnn2)C1	ZINC001129829685	938523722	/nfs/dbraw/zinc/52/37/22/938523722.db2.gz	MJPOLYJZBZYLLO-OIISXLGYSA-N	1	0	359.474	1.094	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)CCC3)C[C@@H]1n1ccnn1	ZINC001129855025	938528417	/nfs/dbraw/zinc/52/84/17/938528417.db2.gz	FILAIJGEBQUBEB-ZBFHGGJFSA-N	1	0	355.446	1.042	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(OC)ns2)C[C@@H]1n1ccnn1	ZINC001129855758	938528771	/nfs/dbraw/zinc/52/87/71/938528771.db2.gz	QPXWPZOEENMGMQ-OLZOCXBDSA-N	1	0	362.459	1.365	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3cn[nH]c32)C[C@@H]1n1ccnn1	ZINC001129858427	938530021	/nfs/dbraw/zinc/53/00/21/938530021.db2.gz	VXYBTLLNLNDLJY-XHSDSOJGSA-N	1	0	355.446	1.039	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2cccc(F)c2)C[C@@H]1n1ccnn1	ZINC001129866552	938532347	/nfs/dbraw/zinc/53/23/47/938532347.db2.gz	DPMCFLNGVYKGSN-QGTPRVQTSA-N	1	0	371.416	1.250	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccc(CO)cc2)[C@@H](n2ccnn2)C1	ZINC001129878783	938536069	/nfs/dbraw/zinc/53/60/69/938536069.db2.gz	FAZZQEHIKCZGIF-MOPGFXCFSA-N	1	0	369.469	1.668	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H]([NH2+]C[C@H](OC)C2CCC2)[C@@H](n2ccnn2)C1	ZINC001129881668	938537667	/nfs/dbraw/zinc/53/76/67/938537667.db2.gz	OGLDPBPSTGWLAB-SQNIBIBYSA-N	1	0	361.490	1.791	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC(F)(F)C2)C[C@@H]1n1ccnn1	ZINC001129887493	938539778	/nfs/dbraw/zinc/53/97/78/938539778.db2.gz	BPGUWQGUZZRPPF-KFWWJZLASA-N	1	0	351.401	1.468	20	30		FDEDRO
C[N@@H+]1CCN(c2cccc(S(N)(=O)=O)c2C#N)C[C@@H]1Cc1ccccc1	ZINC000804719270	938540998	/nfs/dbraw/zinc/54/09/98/938540998.db2.gz	AAIKRYYVUQUQAT-INIZCTEOSA-N	1	0	370.478	1.569	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]([NH2+][C@H](C)COC)[C@@H](n2ccnn2)C1	ZINC001129867583	938544235	/nfs/dbraw/zinc/54/42/35/938544235.db2.gz	UGLJNXLPABAFHX-BNOWGMLFSA-N	1	0	355.870	1.433	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3oc(C)nc3c2)C[C@@H]1n1ccnn1	ZINC001129907161	938549071	/nfs/dbraw/zinc/54/90/71/938549071.db2.gz	UNVNOJQQIHNSQL-SJORKVTESA-N	1	0	364.409	1.406	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COCCCCCCCC)C[C@@H]1n1ccnn1	ZINC001129894343	938555515	/nfs/dbraw/zinc/55/55/15/938555515.db2.gz	BSKBLZADJDIOHY-MSOLQXFVSA-N	1	0	361.490	1.630	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H]([NH2+]CCC=C)[C@@H](n3ccnn3)C2)CCOCC1	ZINC001129894571	938555724	/nfs/dbraw/zinc/55/57/24/938555724.db2.gz	JWNBTFNLQGKTAL-SJORKVTESA-N	1	0	357.458	1.016	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H]([NH2+]CCCCOC)[C@@H](n3ccnn3)C2)CCC1	ZINC001129894816	938556037	/nfs/dbraw/zinc/55/60/37/938556037.db2.gz	UELLUNDHCXTAHW-SJORKVTESA-N	1	0	359.474	1.240	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccnc(CCC)c2)C[C@@H]1n1ccnn1	ZINC001129899684	938559489	/nfs/dbraw/zinc/55/94/89/938559489.db2.gz	GLZBRBRQXMPPGX-MSOLQXFVSA-N	1	0	352.442	1.304	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3cc(F)ccc32)C[C@@H]1n1ccnn1	ZINC001129931984	938562058	/nfs/dbraw/zinc/56/20/58/938562058.db2.gz	IEGOYBGVIGXALA-QRVBRYPASA-N	1	0	367.428	1.512	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)noc2C2CC2)C[C@@H]1n1ccnn1	ZINC001129936615	938563792	/nfs/dbraw/zinc/56/37/92/938563792.db2.gz	HJVIQRAHGKRPEM-CABCVRRESA-N	1	0	354.414	1.131	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc3c2O[C@@H](C)C3)C[C@@H]1n1ccnn1	ZINC001129936799	938564073	/nfs/dbraw/zinc/56/40/73/938564073.db2.gz	PTHAHUODSGHGDK-QGTPRVQTSA-N	1	0	365.437	1.280	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2CCC3(CC3)CC2)C[C@@H]1n1ccnn1	ZINC001129938287	938564851	/nfs/dbraw/zinc/56/48/51/938564851.db2.gz	UWPJKBXFSLNXHS-MSOLQXFVSA-N	1	0	371.485	1.240	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2C[C@H]2C2CC2)C[C@@H]1n1ccnn1	ZINC001129939550	938565349	/nfs/dbraw/zinc/56/53/49/938565349.db2.gz	JOJKLLJUTXQLPZ-FJIDUMEYSA-N	1	0	359.474	1.258	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C[C@@H]1n1ccnn1	ZINC001129941417	938566639	/nfs/dbraw/zinc/56/66/39/938566639.db2.gz	ZPGMBJGSSAXCSS-QTMHVTGLSA-N	1	0	373.501	1.649	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2CC)C[C@@H]1n1ccnn1	ZINC001129921283	938568583	/nfs/dbraw/zinc/56/85/83/938568583.db2.gz	ZOZBMGHAKIJNTO-KYJSFNMBSA-N	1	0	371.489	1.584	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2CCC)C[C@@H]1n1ccnn1	ZINC001129925009	938570512	/nfs/dbraw/zinc/57/05/12/938570512.db2.gz	PSYXIMYHKHESKP-AEFFLSMTSA-N	1	0	371.489	1.586	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001129928716	938571914	/nfs/dbraw/zinc/57/19/14/938571914.db2.gz	HNXBKGVEMWXRCM-MOPGFXCFSA-N	1	0	369.469	1.373	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cccc3nccn32)C[C@@H]1n1ccnn1	ZINC001129930400	938572799	/nfs/dbraw/zinc/57/27/99/938572799.db2.gz	FXZKPDKHGNXYOS-WBVHZDCISA-N	1	0	365.441	1.547	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccn3ccnc3c2)C[C@@H]1n1ccnn1	ZINC001129930428	938572852	/nfs/dbraw/zinc/57/28/52/938572852.db2.gz	HBJUMBJNLAKIOB-SJORKVTESA-N	1	0	365.441	1.547	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2scnc2C(F)F)C[C@@H]1n1ccnn1	ZINC001129930450	938573044	/nfs/dbraw/zinc/57/30/44/938573044.db2.gz	IAENCQVTTZLOPJ-MNOVXSKESA-N	1	0	366.397	1.351	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cncc(OC(C)C)c2)C[C@@H]1n1ccnn1	ZINC001129956791	938577371	/nfs/dbraw/zinc/57/73/71/938577371.db2.gz	NQUPFSXKVMKECM-MSOLQXFVSA-N	1	0	368.441	1.139	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C[C@@H]1n1ccnn1	ZINC001129957297	938577570	/nfs/dbraw/zinc/57/75/70/938577570.db2.gz	YMWNELOROYTINV-XHSDSOJGSA-N	1	0	364.494	1.102	20	30		FDEDRO
CN(CCC[N@H+](C)Cc1ccco1)c1ccc(S(N)(=O)=O)cc1C#N	ZINC000804841258	938592207	/nfs/dbraw/zinc/59/22/07/938592207.db2.gz	RONAVXXOKVNEQZ-UHFFFAOYSA-N	1	0	362.455	1.757	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3ccc(F)cc32)C[C@@H]1n1ccnn1	ZINC001129980743	938595954	/nfs/dbraw/zinc/59/59/54/938595954.db2.gz	XAUTWGPGFJZXER-KURKYZTESA-N	1	0	353.401	1.122	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]([NH2+]Cc3cnn(C)c3)[C@@H](n3ccnn3)C2)CCC1	ZINC001129995998	938604728	/nfs/dbraw/zinc/60/47/28/938604728.db2.gz	WKIVKHCLUOKTIL-SJORKVTESA-N	1	0	369.473	1.300	20	30		FDEDRO
O=C(N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1)C1(CF)CC1	ZINC001130000759	938608113	/nfs/dbraw/zinc/60/81/13/938608113.db2.gz	NINPTSJGXMHRNE-MSOLQXFVSA-N	1	0	367.428	1.421	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]([NH2+]C[C@@H](OC)C2CCC2)[C@@H](n2ccnn2)C1	ZINC001129986496	938609785	/nfs/dbraw/zinc/60/97/85/938609785.db2.gz	CIRLGYQWFWDIER-FGTMMUONSA-N	1	0	361.490	1.791	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(F)c(Cl)c2)C[C@@H]1n1ccnn1	ZINC001129986734	938610068	/nfs/dbraw/zinc/61/00/68/938610068.db2.gz	KGDBVZNCRANLMW-CVEARBPZSA-N	1	0	361.808	1.749	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2cccc(Cl)c2)C[C@@H]1n1ccnn1	ZINC001129988403	938611196	/nfs/dbraw/zinc/61/11/96/938611196.db2.gz	OTFUAIWEMKHVOR-SJORKVTESA-N	1	0	357.845	1.539	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH]ccc32)C[C@@H]1n1ccnn1	ZINC001130014313	938615503	/nfs/dbraw/zinc/61/55/03/938615503.db2.gz	HPMUFHMTGXVBDX-MSOLQXFVSA-N	1	0	350.426	1.991	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn(CC)nc2C(C)C)C[C@@H]1n1ccnn1	ZINC001130022783	938621082	/nfs/dbraw/zinc/62/10/82/938621082.db2.gz	MDWOKBAREPFODS-SJORKVTESA-N	1	0	371.489	1.849	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCC2CCC2)[C@@H](n2ccnn2)C1	ZINC001130009524	938626110	/nfs/dbraw/zinc/62/61/10/938626110.db2.gz	UBFQJTORXJZFCN-YRXWBPOGSA-N	1	0	373.501	1.791	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2(C)CCOCC2)C[C@@H]1n1ccnn1	ZINC001130040584	938626955	/nfs/dbraw/zinc/62/69/55/938626955.db2.gz	BRVHSMSRDHPGNY-ZACQAIPSSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CC1(CC(=O)N2C[C@@H]([NH2+]C[C@@H](C)O)[C@@H](n3ccnn3)C2)CCCCC1	ZINC001130040895	938627202	/nfs/dbraw/zinc/62/72/02/938627202.db2.gz	RBPAZSSZMGGZIY-ZACQAIPSSA-N	1	0	361.490	1.527	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnc(C3CC3)nc2)C[C@@H]1n1ccnn1	ZINC001130028411	938630737	/nfs/dbraw/zinc/63/07/37/938630737.db2.gz	RLRYQBHGLBTCEL-SJORKVTESA-N	1	0	367.457	1.567	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C23CCC(CC2)C3(C)C)C[C@@H]1n1ccnn1	ZINC001130032312	938633091	/nfs/dbraw/zinc/63/30/91/938633091.db2.gz	BEMSENMKRFYKAG-RXCRORICSA-N	1	0	355.486	1.859	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COCc2ccccc2C)C[C@@H]1n1ccnn1	ZINC001130033071	938633722	/nfs/dbraw/zinc/63/37/22/938633722.db2.gz	RSWOLAAETYZQFE-MOPGFXCFSA-N	1	0	369.469	1.721	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)C[C@@H]1n1ccnn1	ZINC001130034548	938634683	/nfs/dbraw/zinc/63/46/83/938634683.db2.gz	RTMBIBWAPBPUCG-SWBPCFCJSA-N	1	0	361.449	1.229	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCN(C)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130043975	938642951	/nfs/dbraw/zinc/64/29/51/938642951.db2.gz	JRGXAFIYGWLRQR-MSOLQXFVSA-N	1	0	354.458	1.332	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(C)nn(CC)c2C)C[C@@H]1n1ccnn1	ZINC001130044231	938643677	/nfs/dbraw/zinc/64/36/77/938643677.db2.gz	XIZICJUNNNBRMZ-CVEARBPZSA-N	1	0	357.462	1.343	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(F)(F)F)n[nH]2)C[C@@H]1n1ccnn1	ZINC001130046192	938645579	/nfs/dbraw/zinc/64/55/79/938645579.db2.gz	HODOSZPYUXGBFP-NEPJUHHUSA-N	1	0	369.351	1.251	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCc3ccccc32)C[C@@H]1n1ccnn1	ZINC001130046303	938645709	/nfs/dbraw/zinc/64/57/09/938645709.db2.gz	MHZGOLYYUVMOGP-SXLOBPIMSA-N	1	0	363.465	1.763	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCc2cccnc2)C[C@@H]1n1ccnn1	ZINC001130065297	938652999	/nfs/dbraw/zinc/65/29/99/938652999.db2.gz	FLKLRQYSDQRWDH-MSOLQXFVSA-N	1	0	354.458	1.614	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C)C2CCCC2)C[C@@H]1n1ccnn1	ZINC001130079480	938672540	/nfs/dbraw/zinc/67/25/40/938672540.db2.gz	MHSAQJCCIVMZQT-NXHRZFHOSA-N	1	0	361.490	1.649	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)CC(F)(F)F)C[C@@H]1n1ccnn1	ZINC001130088866	938675178	/nfs/dbraw/zinc/67/51/78/938675178.db2.gz	MLAXVEFATDAJQE-MCIONIFRSA-N	1	0	357.380	1.622	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cccnc2)C[C@@H]1n1ccnn1	ZINC001130088908	938675504	/nfs/dbraw/zinc/67/55/04/938675504.db2.gz	OOHYCRZGMNFRJP-JQHSSLGASA-N	1	0	354.458	1.785	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](OC)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130091213	938676414	/nfs/dbraw/zinc/67/64/14/938676414.db2.gz	GFJWYUPFVOMABG-FGTMMUONSA-N	1	0	353.426	1.031	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]CC=C(C)C)[C@@H](n3ccnn3)C2)cn1	ZINC001130091529	938677090	/nfs/dbraw/zinc/67/70/90/938677090.db2.gz	YOTKQUYHWFZWNA-MSOLQXFVSA-N	1	0	350.426	1.276	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)cc2OC)C[C@@H]1n1ccnn1	ZINC001130095018	938679729	/nfs/dbraw/zinc/67/97/29/938679729.db2.gz	XEBMEHIFBIIYRD-SJORKVTESA-N	1	0	353.426	1.274	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc(OC)c2OC)C[C@@H]1n1ccnn1	ZINC001130102020	938681590	/nfs/dbraw/zinc/68/15/90/938681590.db2.gz	CQENFKIDVDWKKM-CVEARBPZSA-N	1	0	371.441	1.527	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]([NH2+]CC#CC)[C@@H](n3ccnn3)C2)CCOCC1	ZINC001130109749	938688371	/nfs/dbraw/zinc/68/83/71/938688371.db2.gz	FDSOATWZZRYHEB-SJORKVTESA-N	1	0	357.458	1.016	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCCOc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130111304	938690277	/nfs/dbraw/zinc/69/02/77/938690277.db2.gz	CGRVTOYGFONZPS-MOPGFXCFSA-N	1	0	367.453	1.502	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2cccc(OC)c2)C[C@@H]1n1ccnn1	ZINC001130112255	938690935	/nfs/dbraw/zinc/69/09/35/938690935.db2.gz	TVIUBQIJHROQEC-MOPGFXCFSA-N	1	0	369.469	1.837	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001130112474	938692142	/nfs/dbraw/zinc/69/21/42/938692142.db2.gz	BKFLFLFQQWNXKN-QRQLOZEOSA-N	1	0	367.453	1.419	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(C)c(C)c2)C[C@@H]1n1ccnn1	ZINC001130115205	938694893	/nfs/dbraw/zinc/69/48/93/938694893.db2.gz	ZOVMDQRLANYUNP-MOPGFXCFSA-N	1	0	351.454	1.502	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COc2ccc(C)c(C)c2)C[C@@H]1n1ccnn1	ZINC001130125427	938696711	/nfs/dbraw/zinc/69/67/11/938696711.db2.gz	NLEZBYDPBIOXHH-MOPGFXCFSA-N	1	0	367.453	1.339	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)n(C(C)(C)C)n2)C[C@@H]1n1ccnn1	ZINC001130127979	938697979	/nfs/dbraw/zinc/69/79/79/938697979.db2.gz	RFDDDWPBWUUPMW-SJORKVTESA-N	1	0	369.473	1.217	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCOc2cccc(F)c2)C[C@@H]1n1ccnn1	ZINC001130129728	938699258	/nfs/dbraw/zinc/69/92/58/938699258.db2.gz	UJZORWDMDOKXMR-MSOLQXFVSA-N	1	0	371.416	1.251	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)n(C(C)C)c2C)C[C@@H]1n1ccnn1	ZINC001130118806	938701903	/nfs/dbraw/zinc/70/19/03/938701903.db2.gz	OJMQCQSOCCFIPA-MOPGFXCFSA-N	1	0	368.485	1.956	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2nc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001130123602	938705712	/nfs/dbraw/zinc/70/57/12/938705712.db2.gz	VMIZURFNWFXHCN-KURKYZTESA-N	1	0	369.473	1.108	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)N(C)C)C[C@@H]1n1ccnn1	ZINC001130140099	938712094	/nfs/dbraw/zinc/71/20/94/938712094.db2.gz	SGIDJXXURDXEHP-CEXWTWQISA-N	1	0	368.485	1.499	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]([NH2+]CCCOC(C)C)[C@@H](n2ccnn2)C1	ZINC001130150999	938715357	/nfs/dbraw/zinc/71/53/57/938715357.db2.gz	FLCNQNIVAMAIDO-SJORKVTESA-N	1	0	365.478	1.027	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]([NH2+]CC2CC(C)(C)C2)[C@@H](n2ccnn2)C1	ZINC001130151426	938715984	/nfs/dbraw/zinc/71/59/84/938715984.db2.gz	QQONLQXAFWRXAW-SJORKVTESA-N	1	0	361.490	1.649	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)COCCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130153250	938716839	/nfs/dbraw/zinc/71/68/39/938716839.db2.gz	GCGUIOXYKYJTOP-MSOLQXFVSA-N	1	0	355.442	1.065	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCCc2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001130153458	938717587	/nfs/dbraw/zinc/71/75/87/938717587.db2.gz	SSCKNOAZIPFNIH-UXHICEINSA-N	1	0	365.481	1.974	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccnc2OC(C)C)C[C@@H]1n1ccnn1	ZINC001130161037	938721336	/nfs/dbraw/zinc/72/13/36/938721336.db2.gz	MSIGSYAARKYWQA-SJORKVTESA-N	1	0	368.441	1.139	20	30		FDEDRO
C#CC[N@H+]1C[C@@H](c2nnc(CNC(=O)C[C@@H]3C[C@H]3C3CC3)[nH]2)[C@H](C2CC2)C1	ZINC001130171954	938731372	/nfs/dbraw/zinc/73/13/72/938731372.db2.gz	HIISTGPUFRHGAC-XLAORIBOSA-N	1	0	367.497	1.916	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C)nc2)[nH]1	ZINC001130186425	938731896	/nfs/dbraw/zinc/73/18/96/938731896.db2.gz	COXDGMCCSKUOLV-HOTGVXAUSA-N	1	0	370.457	1.476	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)OCCCC)[nH]1	ZINC001130192931	938737362	/nfs/dbraw/zinc/73/73/62/938737362.db2.gz	BLKYMXRXFGIVED-ILXRZTDVSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccn(C)c2)[nH]1	ZINC001130203304	938745162	/nfs/dbraw/zinc/74/51/62/938745162.db2.gz	XTWVYIJIFLIAII-GJZGRUSLSA-N	1	0	358.446	1.111	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccoc2CC)n1	ZINC001130210079	938747903	/nfs/dbraw/zinc/74/79/03/938747903.db2.gz	VNMHKTIEWMZSSZ-BBRMVZONSA-N	1	0	371.441	1.376	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccsc2C)n1	ZINC001130210043	938748018	/nfs/dbraw/zinc/74/80/18/938748018.db2.gz	SPQOWLXOJFWYEB-KBPBESRZSA-N	1	0	359.455	1.200	20	30		FDEDRO
C=CC(C)(C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCF)[nH]1	ZINC001130216296	938752652	/nfs/dbraw/zinc/75/26/52/938752652.db2.gz	RXFIIJXWEJHVAO-KBPBESRZSA-N	1	0	367.469	1.845	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)(C)C(C)C)n1	ZINC001130216471	938752899	/nfs/dbraw/zinc/75/28/99/938752899.db2.gz	YGYHGKULYAMMRF-GJZGRUSLSA-N	1	0	361.490	1.589	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)c(C)o2)[nH]1	ZINC001130200733	938754439	/nfs/dbraw/zinc/75/44/39/938754439.db2.gz	VCQYIMVXZGQUIR-ZFWWWQNUSA-N	1	0	359.430	1.593	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H]2C=CCCC2)[nH]1	ZINC001130220867	938756501	/nfs/dbraw/zinc/75/65/01/938756501.db2.gz	PCOFPLRBNMICGJ-JYJNAYRXSA-N	1	0	359.474	1.815	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCCC23CC3)[nH]1	ZINC001130221103	938756738	/nfs/dbraw/zinc/75/67/38/938756738.db2.gz	VANJDEPKBUWWKP-JYJNAYRXSA-N	1	0	371.485	1.487	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)CC(F)F)[nH]1	ZINC001130224909	938758871	/nfs/dbraw/zinc/75/88/71/938758871.db2.gz	IKDLEBHFJWNPSL-AVGNSLFASA-N	1	0	371.432	1.750	20	30		FDEDRO
C#CCCCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C(C)C)[nH]1	ZINC001130225108	938759483	/nfs/dbraw/zinc/75/94/83/938759483.db2.gz	SSKDRYHJDZGJFZ-HOTGVXAUSA-N	1	0	361.490	1.875	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2occc2C)[nH]1	ZINC001130234732	938765972	/nfs/dbraw/zinc/76/59/72/938765972.db2.gz	JEZIWCFDMYYSNH-ZFWWWQNUSA-N	1	0	359.430	1.213	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CC3(CC3)C2)[nH]1	ZINC001130234597	938765979	/nfs/dbraw/zinc/76/59/79/938765979.db2.gz	CYSGQGKHLCKOFN-GJZGRUSLSA-N	1	0	357.458	1.097	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCC(C)(C)C2)[nH]1	ZINC001130240655	938768834	/nfs/dbraw/zinc/76/88/34/938768834.db2.gz	XZUVUNNNRDYQFL-ILXRZTDVSA-N	1	0	361.490	1.895	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(CC)(CC)CC)n1	ZINC001130245200	938770879	/nfs/dbraw/zinc/77/08/79/938770879.db2.gz	VKCWVZOCJOWSKX-GJZGRUSLSA-N	1	0	361.490	1.733	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccccc2OC)[nH]1	ZINC001130246150	938771666	/nfs/dbraw/zinc/77/16/66/938771666.db2.gz	FOONFNWPCAANEU-BBRMVZONSA-N	1	0	371.441	1.391	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2csc(C)c2)[nH]1	ZINC001130247175	938772419	/nfs/dbraw/zinc/77/24/19/938772419.db2.gz	XHIGKUVIWSWRRR-KBPBESRZSA-N	1	0	361.471	1.753	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H](C)C2CC2)[nH]1	ZINC001130251338	938774673	/nfs/dbraw/zinc/77/46/73/938774673.db2.gz	OOQBRYVJAQWHOT-KBMXLJTQSA-N	1	0	361.490	1.895	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCCOCC)CC1	ZINC001130276453	938787311	/nfs/dbraw/zinc/78/73/11/938787311.db2.gz	AWMNWBGTIBBIGU-XLIONFOSSA-N	1	0	363.502	1.302	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C/C=C\Cl)CC1	ZINC001130278862	938788998	/nfs/dbraw/zinc/78/89/98/938788998.db2.gz	HSIMFAZKXODJOD-RKSOHGSQSA-N	1	0	369.893	1.417	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC(C)C)CC1	ZINC001130287742	938792483	/nfs/dbraw/zinc/79/24/83/938792483.db2.gz	BSCRGPPIOCIMGF-UXPWSPDFSA-N	1	0	365.518	1.445	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](CCC)OCC)CC1	ZINC001130295565	938797794	/nfs/dbraw/zinc/79/77/94/938797794.db2.gz	IBNZZCPXZZDSCB-LMMKCTJWSA-N	1	0	363.502	1.300	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCOCC)CC1	ZINC001130295900	938798541	/nfs/dbraw/zinc/79/85/41/938798541.db2.gz	XFHAOJHDKODIEM-AEFFLSMTSA-N	1	0	365.518	1.711	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)C(C)(F)F)CC1	ZINC001130302032	938800507	/nfs/dbraw/zinc/80/05/07/938800507.db2.gz	NHJRAXHNNVNHKT-UNEWFSDZSA-N	1	0	369.456	1.776	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1ccncc1	ZINC000805814183	938831414	/nfs/dbraw/zinc/83/14/14/938831414.db2.gz	METQXLVRBQQIQZ-QZTJIDSGSA-N	1	0	356.470	1.902	20	30		FDEDRO
CSCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#Cc2ccccc2)C1	ZINC001130488042	938880356	/nfs/dbraw/zinc/88/03/56/938880356.db2.gz	MCWPXMQMHLAKFJ-PKOBYXMFSA-N	1	0	368.506	1.719	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC=CCC2)C[C@H]1c1cn(C)cn1	ZINC001130497906	938882109	/nfs/dbraw/zinc/88/21/09/938882109.db2.gz	KFPNOOIXQOAYLR-ZIFCJYIRSA-N	1	0	358.486	1.863	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CNC(=O)CCC)C[C@H]1c1cn(C)cn1	ZINC001130524996	938891321	/nfs/dbraw/zinc/89/13/21/938891321.db2.gz	WPJBFSIWUJEZBJ-DOTOQJQBSA-N	1	0	361.490	1.187	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)/C=C(\C)C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130513447	938893135	/nfs/dbraw/zinc/89/31/35/938893135.db2.gz	XDSCMMYXXIUMBG-FYSWROEESA-N	1	0	358.486	1.863	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccc(F)cn2)C1	ZINC001130583479	939883311	/nfs/dbraw/zinc/88/33/11/939883311.db2.gz	BDZSUEHCZLJRQG-PKOBYXMFSA-N	1	0	369.444	1.698	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnc(C)cn2)C1	ZINC001130580345	939892449	/nfs/dbraw/zinc/89/24/49/939892449.db2.gz	AHZMPNJUVMSFAX-PKOBYXMFSA-N	1	0	366.469	1.406	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC2(F)F)C[C@H]1c1cn(C)cn1	ZINC001130580434	939893150	/nfs/dbraw/zinc/89/31/50/939893150.db2.gz	FLCPNPHTHWDDTD-GZBFAFLISA-N	1	0	354.401	1.162	20	30		FDEDRO
Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1c1cn(C)cn1	ZINC001130590243	939896822	/nfs/dbraw/zinc/89/68/22/939896822.db2.gz	GEMMPFLIMKTEKW-QFBILLFUSA-N	1	0	366.469	1.262	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccccc2)C1	ZINC001130592722	939899424	/nfs/dbraw/zinc/89/94/24/939899424.db2.gz	BRAATDGNDFODFD-IMFGXOCKSA-N	1	0	366.465	1.543	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2C=C)C[C@H]1c1cn(C)cn1	ZINC001130593066	939900089	/nfs/dbraw/zinc/90/00/89/939900089.db2.gz	NVPWPUWSVVOUAS-JFRXWTBNSA-N	1	0	358.486	1.861	20	30		FDEDRO
CCOCCC[NH2+][C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1c1cn(C)cn1	ZINC001130594577	939901765	/nfs/dbraw/zinc/90/17/65/939901765.db2.gz	PJYHHBFHTKNGCP-FUHWJXTLSA-N	1	0	360.502	1.780	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2ccnn2C)C[C@H]1c1cn(C)cn1	ZINC001130596635	939903525	/nfs/dbraw/zinc/90/35/25/939903525.db2.gz	NJVIGSVHEMHSKW-HLLBOEOZSA-N	1	0	356.474	1.417	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccn(C(F)F)n2)C[C@H]1c1cn(C)cn1	ZINC001130599385	939905021	/nfs/dbraw/zinc/90/50/21/939905021.db2.gz	QURJJAHUNSXVAR-SWLSCSKDSA-N	1	0	362.384	1.233	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2Cl)C[C@H]1c1cn(C)cn1	ZINC001130615129	939912689	/nfs/dbraw/zinc/91/26/89/939912689.db2.gz	MMKOMJUWCWGGBE-DZGCQCFKSA-N	1	0	362.865	1.581	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnn(C)c2)C1	ZINC001130603097	939914957	/nfs/dbraw/zinc/91/49/57/939914957.db2.gz	YKGKBAFEYJQZOV-FUHWJXTLSA-N	1	0	370.501	1.840	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCOc2cccc(F)c2)C[C@H]1c1cn(C)cn1	ZINC001130604784	939916146	/nfs/dbraw/zinc/91/61/46/939916146.db2.gz	NPMQFHRQJRFVID-PKOBYXMFSA-N	1	0	370.428	1.546	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnn3c2CCC3)C[C@H]1c1cn(C)cn1	ZINC001130604805	939916219	/nfs/dbraw/zinc/91/62/19/939916219.db2.gz	OROOLTVRVPTCGG-FUHWJXTLSA-N	1	0	368.485	1.727	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2Cl)C[C@H]1c1cn(C)cn1	ZINC001130615532	939918678	/nfs/dbraw/zinc/91/86/78/939918678.db2.gz	UYLZCWNOQXAEKQ-DZGCQCFKSA-N	1	0	360.849	1.028	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1c1cn(C)cn1	ZINC001130608039	939920131	/nfs/dbraw/zinc/92/01/31/939920131.db2.gz	YAWPTAMVGYGUCH-WMLDXEAASA-N	1	0	370.457	1.173	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2CC)C[C@H]1c1cn(C)cn1	ZINC001130622071	939920444	/nfs/dbraw/zinc/92/04/44/939920444.db2.gz	OCZGADOBUACRTM-DOTOQJQBSA-N	1	0	356.474	1.490	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)ccc2OC)C[C@H]1c1cn(C)cn1	ZINC001130623851	939921829	/nfs/dbraw/zinc/92/18/29/939921829.db2.gz	KANWYUDJULUDOT-PKOBYXMFSA-N	1	0	366.465	1.958	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CCC(C)(F)F)C[C@H]1c1cn(C)cn1	ZINC001130619531	939930400	/nfs/dbraw/zinc/93/04/00/939930400.db2.gz	VRLBPYCYGJFQRA-GOEBONIOSA-N	1	0	370.444	1.942	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2CCC)C[C@H]1c1cn(C)cn1	ZINC001130621731	939931238	/nfs/dbraw/zinc/93/12/38/939931238.db2.gz	BFCCYSFOZULQDI-FUHWJXTLSA-N	1	0	368.485	1.327	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2CC)C[C@H]1c1cn(C)cn1	ZINC001130621787	939931668	/nfs/dbraw/zinc/93/16/68/939931668.db2.gz	FBZCTPDNIDOVKV-FUHWJXTLSA-N	1	0	370.501	1.880	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)c(C)cn2)C[C@H]1c1cn(C)cn1	ZINC001130630031	939934552	/nfs/dbraw/zinc/93/45/52/939934552.db2.gz	CHJFJRWVVBSTAG-QFBILLFUSA-N	1	0	351.454	1.653	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2CCC)C[C@H]1c1cn(C)cn1	ZINC001130667121	939959103	/nfs/dbraw/zinc/95/91/03/939959103.db2.gz	KPCVXLNHFKGSSH-VXIBKDFQSA-N	1	0	360.502	1.943	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#CCOC)C1	ZINC001130656180	939960312	/nfs/dbraw/zinc/96/03/12/939960312.db2.gz	CLFXMBLEMQSKOA-JENIJYKNSA-N	1	0	358.486	1.556	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnn(C)c2)C1	ZINC001130657012	939961219	/nfs/dbraw/zinc/96/12/19/939961219.db2.gz	VFXHIAPAYDAASY-HHXXYDBFSA-N	1	0	370.501	1.840	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2(C)CC=CC2)C[C@H]1c1cn(C)cn1	ZINC001130659522	939965624	/nfs/dbraw/zinc/96/56/24/939965624.db2.gz	PVBUBFOTOPQGEY-FUHWJXTLSA-N	1	0	358.486	1.863	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cccc(=O)n2C)C[C@H]1c1cn(C)cn1	ZINC001130670298	939970388	/nfs/dbraw/zinc/97/03/88/939970388.db2.gz	WIQNYORSNOWEPW-DOTOQJQBSA-N	1	0	369.469	1.283	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2(CF)CCOCC2)C[C@H]1c1cn(C)cn1	ZINC001130672664	939972083	/nfs/dbraw/zinc/97/20/83/939972083.db2.gz	VYVQZAJQVYHLLG-DOTOQJQBSA-N	1	0	362.449	1.094	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1c1cn(C)cn1	ZINC001130675284	939972964	/nfs/dbraw/zinc/97/29/64/939972964.db2.gz	QKSYQSSRODLZKE-DOTOQJQBSA-N	1	0	357.462	1.021	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130689696	939979630	/nfs/dbraw/zinc/97/96/30/939979630.db2.gz	GTMBLHNIVDQDCD-MJQMVNBJSA-N	1	0	356.470	1.000	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cnn(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130703941	939984373	/nfs/dbraw/zinc/98/43/73/939984373.db2.gz	BHKVALWQXVSAMC-FUHWJXTLSA-N	1	0	368.485	1.039	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2coc(CC3CC3)n2)C[C@H]1c1cn(C)cn1	ZINC001130704532	939985410	/nfs/dbraw/zinc/98/54/10/939985410.db2.gz	SGMKHTRVPSUCSU-DOTOQJQBSA-N	1	0	367.453	1.582	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)COC3)C[C@H]1c1cn(C)cn1	ZINC001130695535	939990544	/nfs/dbraw/zinc/99/05/44/939990544.db2.gz	YKNDZIMIKOMATH-AZUAARDMSA-N	1	0	364.449	1.671	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCCC(=O)NCC)C[C@H]1c1cn(C)cn1	ZINC001130714888	940007371	/nfs/dbraw/zinc/00/73/71/940007371.db2.gz	NKGFSXORPXUJSZ-DOTOQJQBSA-N	1	0	361.490	1.187	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCCF)C2)cn1	ZINC001130715296	940007723	/nfs/dbraw/zinc/00/77/23/940007723.db2.gz	WREICZGAZTUXSE-FUHWJXTLSA-N	1	0	355.417	1.354	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3c([nH]2)CCCC3)C[C@H]1c1cn(C)cn1	ZINC001130708512	940014674	/nfs/dbraw/zinc/01/46/74/940014674.db2.gz	VDVBDZFBLWOZBW-OXJNMPFZSA-N	1	0	365.481	1.848	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ncccc2OC)C[C@H]1c1cn(C)cn1	ZINC001130719339	940022397	/nfs/dbraw/zinc/02/23/97/940022397.db2.gz	KGDALYRCKNZPGG-GOEBONIOSA-N	1	0	355.442	1.598	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@](C)(NC(C)=O)C(C)C)C[C@H]1c1cn(C)cn1	ZINC001130737232	940038596	/nfs/dbraw/zinc/03/85/96/940038596.db2.gz	YNXXEWKGANUGNC-WDYCEAGBSA-N	1	0	361.490	1.041	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cccnc2)C1	ZINC001130739575	940041270	/nfs/dbraw/zinc/04/12/70/940041270.db2.gz	GJZQBGUYBULMFG-PKOBYXMFSA-N	1	0	369.469	1.492	20	30		FDEDRO
C=C[C@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCO)C1)c1ccccc1	ZINC001130731707	940045218	/nfs/dbraw/zinc/04/52/18/940045218.db2.gz	MEUYJDHPKOBOOA-CMKODMSKSA-N	1	0	368.481	1.656	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC23CCOCC3)C[C@H]1c1cn(C)cn1	ZINC001130744673	940048367	/nfs/dbraw/zinc/04/83/67/940048367.db2.gz	HZYBNWNHDYJLRY-LZLYRXPVSA-N	1	0	356.470	1.144	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C=Cc3ccco3)n2)O1	ZINC001130746944	940052278	/nfs/dbraw/zinc/05/22/78/940052278.db2.gz	NTPAQMGLNJWYTJ-KBUFDJFCSA-N	1	0	369.425	1.560	20	30		FDEDRO
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c1	ZINC000806808517	940060264	/nfs/dbraw/zinc/06/02/64/940060264.db2.gz	GTXALLCHJAFWSY-JFIYKMOQSA-N	1	0	374.485	1.964	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1	ZINC001130761560	940067685	/nfs/dbraw/zinc/06/76/85/940067685.db2.gz	AVZTZKMPLCIJOS-HZSPNIEDSA-N	1	0	369.441	1.181	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCCCOC)n2)O1	ZINC001130761989	940068383	/nfs/dbraw/zinc/06/83/83/940068383.db2.gz	KMSOMFYHICWXCI-LSDHHAIUSA-N	1	0	365.478	1.623	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccon3)n2)O1	ZINC001130762218	940070302	/nfs/dbraw/zinc/07/03/02/940070302.db2.gz	PSPRJJIABSEZBW-GXTWGEPZSA-N	1	0	360.418	1.499	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CSC(C)C)n2)O1	ZINC001130757879	940082643	/nfs/dbraw/zinc/08/26/43/940082643.db2.gz	JXUVOHJUZIYWLN-QWHCGFSZSA-N	1	0	351.476	1.005	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cncs3)n2)O1	ZINC001130760073	940087991	/nfs/dbraw/zinc/08/79/91/940087991.db2.gz	WQXRCMMSIWKZTJ-NWDGAFQWSA-N	1	0	360.443	1.024	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCC3CCC3)n2)O1	ZINC001130775209	940092522	/nfs/dbraw/zinc/09/25/22/940092522.db2.gz	PFJOCZFIGQAKLV-JKSUJKDBSA-N	1	0	359.474	1.834	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COCCC)n2)O1	ZINC001130765010	940094031	/nfs/dbraw/zinc/09/40/31/940094031.db2.gz	CWYBKCKDYNOHCH-LSDHHAIUSA-N	1	0	365.478	1.623	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCCOC3)n2)O1	ZINC001130765609	940096934	/nfs/dbraw/zinc/09/69/34/940096934.db2.gz	ZPEZZGXVXNXQAU-SOUVJXGZSA-N	1	0	363.462	1.233	20	30		FDEDRO
CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C#N)c[nH]3)n2)O1	ZINC001130769573	940106466	/nfs/dbraw/zinc/10/64/66/940106466.db2.gz	KKHBTJRLEDJYNN-GXTWGEPZSA-N	1	0	357.418	1.154	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cnccc3C)n2)O1	ZINC001130772678	940113651	/nfs/dbraw/zinc/11/36/51/940113651.db2.gz	XLGLDKQJMRJBGR-GOEBONIOSA-N	1	0	370.457	1.824	20	30		FDEDRO
C=CC(C)(C)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C[C@H](C)O)O2)n[nH]1	ZINC001130785072	940119543	/nfs/dbraw/zinc/11/95/43/940119543.db2.gz	CKYRWSZRLKXLQX-MELADBBJSA-N	1	0	365.478	1.214	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccns3)n2)O1	ZINC001130785521	940119877	/nfs/dbraw/zinc/11/98/77/940119877.db2.gz	SCMRHMLLBQLSDW-NWDGAFQWSA-N	1	0	360.443	1.024	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccncc3C)n2)O1	ZINC001130781349	940136998	/nfs/dbraw/zinc/13/69/98/940136998.db2.gz	ZZCJXKDANJWPNS-GOEBONIOSA-N	1	0	368.441	1.271	20	30		FDEDRO
C#CCCCNC(=O)C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000806911711	940138801	/nfs/dbraw/zinc/13/88/01/940138801.db2.gz	FUHBFQISRMTYJC-IBGZPJMESA-N	1	0	355.482	1.887	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3OCC[C@H]3CC)n2)O1	ZINC001130787227	940154862	/nfs/dbraw/zinc/15/48/62/940154862.db2.gz	GFJVZVAGSUULCU-CTASWTNQSA-N	1	0	363.462	1.232	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCC3(F)F)n2)O1	ZINC001130787393	940155592	/nfs/dbraw/zinc/15/55/92/940155592.db2.gz	OIBVMEUDKLNSID-RWMBFGLXSA-N	1	0	367.400	1.299	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccncc3CC)n2)O1	ZINC001130790092	940162237	/nfs/dbraw/zinc/16/22/37/940162237.db2.gz	HFBIJJLLWLYECB-GOEBONIOSA-N	1	0	370.457	1.688	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3[nH]c(C)cc3C)n2)O1	ZINC001130790313	940164559	/nfs/dbraw/zinc/16/45/59/940164559.db2.gz	SPZKMNABRUPNQP-LSDHHAIUSA-N	1	0	370.457	1.513	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3C[C@H]3CCC)n2)O1	ZINC001130807155	940181864	/nfs/dbraw/zinc/18/18/64/940181864.db2.gz	RABKBQADOGUNMM-QKPAOTATSA-N	1	0	359.474	1.690	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(C(C)(F)F)CC3)n2)O1	ZINC001130809354	940187586	/nfs/dbraw/zinc/18/75/86/940187586.db2.gz	TXLVIOFCRDTUOG-NWDGAFQWSA-N	1	0	367.400	1.299	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3occc3C)n2)O1	ZINC001130809449	940188579	/nfs/dbraw/zinc/18/85/79/940188579.db2.gz	YXCPYNQILXDRMX-LSDHHAIUSA-N	1	0	371.441	1.398	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC34CCC4)n2)O1	ZINC001130809468	940188609	/nfs/dbraw/zinc/18/86/09/940188609.db2.gz	ZVIZDRDCFUAWOD-RRFJBIMHSA-N	1	0	359.474	1.997	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(CCC)CC3)n2)O1	ZINC001130802432	940197996	/nfs/dbraw/zinc/19/79/96/940197996.db2.gz	UJTHZWHMUSHLBL-LSDHHAIUSA-N	1	0	359.474	1.834	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCF)O2)n[nH]1	ZINC001130823390	940202982	/nfs/dbraw/zinc/20/29/82/940202982.db2.gz	QRWMSGYBTQQRCI-MELADBBJSA-N	1	0	369.441	1.181	20	30		FDEDRO
C#Cc1ccccc1CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC)O2)n[nH]1	ZINC001130817295	940222056	/nfs/dbraw/zinc/22/20/56/940222056.db2.gz	KOKZKPHZDLEOKB-DLBZAZTESA-N	1	0	367.453	1.475	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3ccc(C)nc3)n2)O1	ZINC001130817594	940222840	/nfs/dbraw/zinc/22/28/40/940222840.db2.gz	VFDFNLBOXRTCQI-JKSUJKDBSA-N	1	0	370.457	1.363	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3ccc[nH]3)n2)O1	ZINC001130820345	940227582	/nfs/dbraw/zinc/22/75/82/940227582.db2.gz	UFIPGBQKVBGYFX-LSDHHAIUSA-N	1	0	358.446	1.378	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC(C3CC3)C3CC3)n2)O1	ZINC001130820336	940227611	/nfs/dbraw/zinc/22/76/11/940227611.db2.gz	TXHLICYLWDMYBB-DOTOQJQBSA-N	1	0	371.485	1.690	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccn[nH]2)C1	ZINC001086649058	940282445	/nfs/dbraw/zinc/28/24/45/940282445.db2.gz	HMYHINIWFVNUER-GOEBONIOSA-N	1	0	353.426	1.978	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cccs2)C[C@H]1c1cncn1C	ZINC001130895700	940293312	/nfs/dbraw/zinc/29/33/12/940293312.db2.gz	ILGNPYKRPGDYBR-HUUCEWRRSA-N	1	0	360.483	1.882	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CC2CCCC2)C[C@H]1c1cncn1C	ZINC001130900021	940302306	/nfs/dbraw/zinc/30/23/06/940302306.db2.gz	FVAUSGRGOZIWIO-QZTJIDSGSA-N	1	0	358.486	1.534	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@H](C)c2cnccn2)C1	ZINC001130948411	940347075	/nfs/dbraw/zinc/34/70/75/940347075.db2.gz	JVPUDIJBJKLACX-BFYDXBDKSA-N	1	0	370.457	1.058	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)COCCOC)C[C@H]1c1cncn1C	ZINC001130941079	940351687	/nfs/dbraw/zinc/35/16/87/940351687.db2.gz	RHVQXANQFHRLDR-GVDBMIGSSA-N	1	0	364.490	1.322	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnn(C)c2)C1	ZINC001130978190	940391229	/nfs/dbraw/zinc/39/12/29/940391229.db2.gz	WONVZEZZZVUHHZ-IAGOWNOFSA-N	1	0	354.458	1.041	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCCOCCC=C)C[C@H]1c1cncn1C	ZINC001130989205	940411579	/nfs/dbraw/zinc/41/15/79/940411579.db2.gz	XMIFYNPFDIXKJH-QZTJIDSGSA-N	1	0	358.486	1.700	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC/C=C\CC)C1	ZINC001130989264	940411666	/nfs/dbraw/zinc/41/16/66/940411666.db2.gz	ZOMLTLATQRAVSD-XXCOWLKOSA-N	1	0	358.486	1.700	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccc(N3CCC(O)CC3)cc2)CC1	ZINC000747405092	940413064	/nfs/dbraw/zinc/41/30/64/940413064.db2.gz	UKNJXEAEFUMGTM-UHFFFAOYSA-N	1	0	355.482	1.865	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CCC(=O)Nc2nnc(C3CC3)o2)CC1	ZINC000747405063	940413169	/nfs/dbraw/zinc/41/31/69/940413169.db2.gz	TXVMZBZYQINACI-UHFFFAOYSA-N	1	0	359.430	1.270	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCCCCCC)C[C@H]1c1cncn1C	ZINC001130995898	940419499	/nfs/dbraw/zinc/41/94/99/940419499.db2.gz	QPFXJVZXRDBIFP-KZNAEPCWSA-N	1	0	360.502	1.923	20	30		FDEDRO
Cn1cncc1[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1[NH2+]Cc1cccnc1	ZINC001130985388	940422952	/nfs/dbraw/zinc/42/29/52/940422952.db2.gz	HMWFLQJGGXHQAJ-QZTJIDSGSA-N	1	0	365.481	1.949	20	30		FDEDRO
CCCC[C@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CCOC)C1	ZINC001130985735	940423412	/nfs/dbraw/zinc/42/34/12/940423412.db2.gz	NJDPZXHUOYXPCV-RCCFBDPRSA-N	1	0	360.502	1.780	20	30		FDEDRO
COCCCCC[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1cncn1C	ZINC001130986057	940423419	/nfs/dbraw/zinc/42/34/19/940423419.db2.gz	UHCHSRZQURHKMT-QZTJIDSGSA-N	1	0	358.486	1.534	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccnn2CC(C)C)C[C@H]1c1cncn1C	ZINC001131003559	940429940	/nfs/dbraw/zinc/42/99/40/940429940.db2.gz	JUCQFHZQOCQBJT-IAGOWNOFSA-N	1	0	368.485	1.494	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2ccnn2C)C[C@H]1c1cncn1C	ZINC001131006172	940432672	/nfs/dbraw/zinc/43/26/72/940432672.db2.gz	ORZIEJMNIYTGHQ-QZTJIDSGSA-N	1	0	370.501	1.637	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)Cc2ccccc2)C[C@H]1c1cncn1C	ZINC001131018037	940439172	/nfs/dbraw/zinc/43/91/72/940439172.db2.gz	YPOXNEVJVXZPFO-RTBURBONSA-N	1	0	368.481	1.749	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc3n2CCC3)C[C@H]1c1cncn1C	ZINC001131010696	940441905	/nfs/dbraw/zinc/44/19/05/940441905.db2.gz	YYWMKVHHJQXKQS-HUUCEWRRSA-N	1	0	354.458	1.337	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2ccncc2)C[C@H]1c1cncn1C	ZINC001131022786	940456087	/nfs/dbraw/zinc/45/60/87/940456087.db2.gz	GTGHXDWQVQZHTP-QZTJIDSGSA-N	1	0	351.454	1.355	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)cncc2C)C[C@H]1c1cncn1C	ZINC001131028826	940463333	/nfs/dbraw/zinc/46/33/33/940463333.db2.gz	LFSWTXUZTRPJMJ-IAGOWNOFSA-N	1	0	351.454	1.653	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc3nccn32)C[C@H]1c1cncn1C	ZINC001131028748	940463348	/nfs/dbraw/zinc/46/33/48/940463348.db2.gz	HGUDKMQTTWXNAH-HZPDHXFCSA-N	1	0	362.437	1.289	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2cc(C)nn2C)C[C@H]1c1cncn1C	ZINC001131028896	940463582	/nfs/dbraw/zinc/46/35/82/940463582.db2.gz	OTOLPOUUBJAGKD-QZTJIDSGSA-N	1	0	370.501	1.555	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2csnn2)C[C@H]1c1cncn1C	ZINC001131038201	940466082	/nfs/dbraw/zinc/46/60/82/940466082.db2.gz	FFPCHAOOFGEPGT-BFHYXJOUSA-N	1	0	360.487	1.824	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCCCc2c[nH]nn2)C[C@H]1c1cncn1C	ZINC001131038311	940466590	/nfs/dbraw/zinc/46/65/90/940466590.db2.gz	LMIQUJZUYACCTM-IAGOWNOFSA-N	1	0	371.489	1.411	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)COCC(F)F)C[C@H]1c1cncn1C	ZINC001131038434	940466755	/nfs/dbraw/zinc/46/67/55/940466755.db2.gz	RHEXAZHTNPTAQZ-ZIAGYGMSSA-N	1	0	368.428	1.245	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2occ3c2CCC3)C[C@H]1c1cncn1C	ZINC001131038571	940467236	/nfs/dbraw/zinc/46/72/36/940467236.db2.gz	YDZJFLKXUWQDME-IAGOWNOFSA-N	1	0	352.438	1.723	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)on2)C[C@H]1c1cncn1C	ZINC001131040024	940467920	/nfs/dbraw/zinc/46/79/20/940467920.db2.gz	HVXXWPOEHNTYQU-GDBMZVCRSA-N	1	0	353.426	1.507	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCn2nc(C)cc2C)C[C@H]1c1cncn1C	ZINC001131040163	940468108	/nfs/dbraw/zinc/46/81/08/940468108.db2.gz	PSICCZVWUCQEQU-QZTJIDSGSA-N	1	0	370.501	1.784	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH]ncc32)C[C@H]1c1cncn1C	ZINC001131040128	940468157	/nfs/dbraw/zinc/46/81/57/940468157.db2.gz	MUGMVYLBIZDKPA-SJLPKXTDSA-N	1	0	362.437	1.518	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ncc(C)cc2C)C[C@H]1c1cncn1C	ZINC001131033166	940470134	/nfs/dbraw/zinc/47/01/34/940470134.db2.gz	KMYVDQMLASODPK-IAGOWNOFSA-N	1	0	351.454	1.653	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC2(C)C)C[C@H]1c1cncn1C	ZINC001131049346	940470626	/nfs/dbraw/zinc/47/06/26/940470626.db2.gz	VPKVDYDWZFYIKG-BRWVUGGUSA-N	1	0	360.502	1.943	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](F)C(C)C)C[C@H]1c1cncn1C	ZINC001131046826	940475622	/nfs/dbraw/zinc/47/56/22/940475622.db2.gz	XETWJCHREMHUMT-BFYDXBDKSA-N	1	0	352.454	1.501	20	30		FDEDRO
CON=C(C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1)c1csc(N)n1	ZINC000822940242	945323999	/nfs/dbraw/zinc/32/39/99/945323999.db2.gz	WWNRQGJFURDSQB-GFCCVEGCSA-N	1	0	365.434	1.634	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)CC)C[C@H]1c1cncn1C	ZINC001131057258	940477622	/nfs/dbraw/zinc/47/76/22/940477622.db2.gz	ALICMLLIAGDKJC-HUUCEWRRSA-N	1	0	361.490	1.043	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC[C@@H](C)O)C1	ZINC001131051884	940480257	/nfs/dbraw/zinc/48/02/57/940480257.db2.gz	YTGMTIYMPSDNDN-KZNAEPCWSA-N	1	0	360.502	1.659	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3n[nH]cc3c2)C[C@H]1c1cncn1C	ZINC001131055561	940481493	/nfs/dbraw/zinc/48/14/93/940481493.db2.gz	BKLDNYOXPVVNNO-SJLPKXTDSA-N	1	0	362.437	1.518	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCCOC)C2)c1	ZINC001131067963	940483182	/nfs/dbraw/zinc/48/31/82/940483182.db2.gz	DNWSUKZQRYDQIV-QZTJIDSGSA-N	1	0	367.453	1.031	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ocnc2C(F)F)C[C@H]1c1cncn1C	ZINC001131070514	940484610	/nfs/dbraw/zinc/48/46/10/940484610.db2.gz	ZEXUADRYUSZVJE-VXGBXAGGSA-N	1	0	363.368	1.567	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C/C=C\Cl)C1	ZINC001131072160	940485076	/nfs/dbraw/zinc/48/50/76/940485076.db2.gz	LGLCOHLRFQKDLG-PIVSOXONSA-N	1	0	364.877	1.648	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3ccncc3C2)C[C@H]1c1cncn1C	ZINC001131073737	940490294	/nfs/dbraw/zinc/49/02/94/940490294.db2.gz	LZGYADWXYXMWNY-BHIYHBOVSA-N	1	0	363.465	1.137	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(F)c(OC)c2)C[C@H]1c1cncn1C	ZINC001131076003	940491217	/nfs/dbraw/zinc/49/12/17/940491217.db2.gz	DOFPCSDHLZBWCN-NVXWUHKLSA-N	1	0	370.428	1.789	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCO[C@H]2C(=C)C)C[C@H]1c1cncn1C	ZINC001131086066	940493200	/nfs/dbraw/zinc/49/32/00/940493200.db2.gz	DTDRFTBGNOQVDF-FAJBIJEISA-N	1	0	356.470	1.309	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3cccnn32)C[C@H]1c1cncn1C	ZINC001131086203	940493364	/nfs/dbraw/zinc/49/33/64/940493364.db2.gz	JFMWTAHWDMUNPE-IAGOWNOFSA-N	1	0	362.437	1.289	20	30		FDEDRO
CCC[C@H](CC)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CCOC)C1	ZINC001131099616	940494358	/nfs/dbraw/zinc/49/43/58/940494358.db2.gz	WNKNOVIOUGCUNL-RCCFBDPRSA-N	1	0	360.502	1.780	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1c1cncn1C	ZINC001131089655	940495042	/nfs/dbraw/zinc/49/50/42/940495042.db2.gz	SJRKYTOPCNDMCW-IIAWOOMASA-N	1	0	357.462	1.101	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cn(CC)nn2)C[C@H]1c1cncn1C	ZINC001131096752	940497390	/nfs/dbraw/zinc/49/73/90/940497390.db2.gz	NHNNZMNORSRWLH-ARFHVFGLSA-N	1	0	371.489	1.584	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)cc2)C[C@H]1c1cncn1C	ZINC001131112792	940498986	/nfs/dbraw/zinc/49/89/86/940498986.db2.gz	NFXCGMHZEOSEOQ-RTBURBONSA-N	1	0	365.481	1.707	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCCc2cccnc2)C[C@H]1c1cncn1C	ZINC001131103545	940501135	/nfs/dbraw/zinc/50/11/35/940501135.db2.gz	PKJCSTMBIAMUJR-RTBURBONSA-N	1	0	365.481	1.745	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1c1cncn1C	ZINC001131105657	940501525	/nfs/dbraw/zinc/50/15/25/940501525.db2.gz	DAZCTOQLIHNZMQ-RRFJBIMHSA-N	1	0	357.462	1.020	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2ccccn2)C[C@H]1c1cncn1C	ZINC001131108595	940502903	/nfs/dbraw/zinc/50/29/03/940502903.db2.gz	XJEJZKFQASSKGZ-BRWVUGGUSA-N	1	0	367.453	1.190	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)onc2CC)C[C@H]1c1cncn1C	ZINC001131119848	940505559	/nfs/dbraw/zinc/50/55/59/940505559.db2.gz	ZUSAKCPBIFHHPJ-GDBMZVCRSA-N	1	0	355.442	1.500	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2scnc2Cl)C[C@H]1c1cncn1C	ZINC001131125980	940507968	/nfs/dbraw/zinc/50/79/68/940507968.db2.gz	QJEIXDQOEBOIPY-VXGBXAGGSA-N	1	0	363.874	1.751	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1c1cncn1C	ZINC001131138470	940509357	/nfs/dbraw/zinc/50/93/57/940509357.db2.gz	CZOZRAQJYLHGBV-BZUAXINKSA-N	1	0	361.490	1.314	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2	ZINC001110103078	940509370	/nfs/dbraw/zinc/50/93/70/940509370.db2.gz	COXZZBBNWHKUFW-SQNIBIBYSA-N	1	0	362.518	1.228	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(C)s2)C[C@H]1c1cncn1C	ZINC001131127776	940509709	/nfs/dbraw/zinc/50/97/09/940509709.db2.gz	CABRZZNJALTGIG-IAGOWNOFSA-N	1	0	356.495	1.940	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCOCCOC)C[C@H]1c1cncn1C	ZINC001131132175	940512322	/nfs/dbraw/zinc/51/23/22/940512322.db2.gz	AUYFDKAPKARHHB-IAGOWNOFSA-N	1	0	364.490	1.323	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1	ZINC000808057750	940514184	/nfs/dbraw/zinc/51/41/84/940514184.db2.gz	CWYIWAHXUXNLOU-ZIAGYGMSSA-N	1	0	366.259	1.573	20	30		FDEDRO
C#C[C@H](NC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)C(C)(C)C	ZINC000808265737	940536173	/nfs/dbraw/zinc/53/61/73/940536173.db2.gz	VVPOHUGTGDMZIY-KRWDZBQOSA-N	1	0	372.517	1.726	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1C1CCOCC1	ZINC001131242349	940537737	/nfs/dbraw/zinc/53/77/37/940537737.db2.gz	KUTZONYIMCDREJ-DLBZAZTESA-N	1	0	351.491	1.180	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1C1CCOCC1	ZINC001131247519	940542162	/nfs/dbraw/zinc/54/21/62/940542162.db2.gz	OYPYUIGWUIETCZ-RYQLBKOJSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCC(F)F)C1	ZINC001131310572	940550302	/nfs/dbraw/zinc/55/03/02/940550302.db2.gz	WHXULVWCJKDRPD-MJBXVCDLSA-N	1	0	357.401	1.714	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cccnn2)C1	ZINC001131313245	940552819	/nfs/dbraw/zinc/55/28/19/940552819.db2.gz	LSXNLKKOTWWVFG-UAGQMJEPSA-N	1	0	371.441	1.162	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(C)=O)CC1	ZINC001131412266	940563041	/nfs/dbraw/zinc/56/30/41/940563041.db2.gz	AQCFFXGANHLOSI-BJZITVGISA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CSC)CC1	ZINC001131414530	940563789	/nfs/dbraw/zinc/56/37/89/940563789.db2.gz	GXOZAMSIOADBRC-UNEWFSDZSA-N	1	0	369.531	1.026	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CSC)CC1	ZINC001131414529	940563804	/nfs/dbraw/zinc/56/38/04/940563804.db2.gz	GXOZAMSIOADBRC-LXZKKBNFSA-N	1	0	369.531	1.026	20	30		FDEDRO
C=CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NCCCC)CC1	ZINC001131448766	940602913	/nfs/dbraw/zinc/60/29/13/940602913.db2.gz	QAVLOSFRWAHURW-XLIONFOSSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCCOC)CC1	ZINC001131455987	940609831	/nfs/dbraw/zinc/60/98/31/940609831.db2.gz	HFXHTHIZMHIXSA-MJGOQNOKSA-N	1	0	354.491	1.601	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)CCC)CC1	ZINC001131456625	940611074	/nfs/dbraw/zinc/61/10/74/940611074.db2.gz	WGYKFENRAZFXFH-XLIONFOSSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOC2CCC2)CC1	ZINC001131461096	940615629	/nfs/dbraw/zinc/61/56/29/940615629.db2.gz	CZNMCAOSOGMVHT-QUCCMNQESA-N	1	0	366.502	1.744	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCn2ccnn2)CC1	ZINC001131478782	940634749	/nfs/dbraw/zinc/63/47/49/940634749.db2.gz	KFUSDELLKJWMEI-MJGOQNOKSA-N	1	0	361.490	1.620	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCOC)CC1	ZINC001131483142	940638959	/nfs/dbraw/zinc/63/89/59/940638959.db2.gz	PCUIFDKEPYZEOH-NZSAHSFTSA-N	1	0	354.491	1.336	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2COC(=O)N2)CC1	ZINC001131490893	940641194	/nfs/dbraw/zinc/64/11/94/940641194.db2.gz	GBKNUNGWYOJCCJ-OAGGEKHMSA-N	1	0	351.447	1.047	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2ccn(C)n2)CC1	ZINC001131506853	940669155	/nfs/dbraw/zinc/66/91/55/940669155.db2.gz	SJCVFFZVYCGZLP-QUCCMNQESA-N	1	0	358.486	1.362	20	30		FDEDRO
C=C(C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NCCC)CC1	ZINC001131506752	940669246	/nfs/dbraw/zinc/66/92/46/940669246.db2.gz	NMGRQOIMNROKEP-XLIONFOSSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccnc3n[nH]nc32)CC1	ZINC001131527929	940697486	/nfs/dbraw/zinc/69/74/86/940697486.db2.gz	FWIGOAAMDDWHRY-WBVHZDCISA-N	1	0	370.457	1.528	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2ccc(F)cn2)CC1	ZINC001131522526	940706036	/nfs/dbraw/zinc/70/60/36/940706036.db2.gz	LUYLGAKZUBKGQV-QUCCMNQESA-N	1	0	359.445	1.772	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn(CCF)c2)CC1	ZINC001131522494	940706101	/nfs/dbraw/zinc/70/61/01/940706101.db2.gz	KPBQHOMRWLBIPO-MSOLQXFVSA-N	1	0	362.449	1.475	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(=O)n(C)c2)CC1	ZINC001131526374	940711216	/nfs/dbraw/zinc/71/12/16/940711216.db2.gz	OSPMFACBCLHCFS-MJGOQNOKSA-N	1	0	357.454	1.008	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N(C)C)CC1	ZINC001131545781	940721292	/nfs/dbraw/zinc/72/12/92/940721292.db2.gz	DQZBPTAVOCKVQI-WBVHZDCISA-N	1	0	351.491	1.273	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c[nH]nc2C)CC1	ZINC001131538357	940726371	/nfs/dbraw/zinc/72/63/71/940726371.db2.gz	LZIXPSSOCTVALL-MSOLQXFVSA-N	1	0	362.474	1.520	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)NC(=O)C(C)(C)C)CC1	ZINC001131538659	940726572	/nfs/dbraw/zinc/72/65/72/940726572.db2.gz	RNROYAIWPSUFRY-OIISXLGYSA-N	1	0	365.518	1.709	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)NC(=O)C(C)(C)C)CC1	ZINC001131538660	940726705	/nfs/dbraw/zinc/72/67/05/940726705.db2.gz	RNROYAIWPSUFRY-UAGQMJEPSA-N	1	0	365.518	1.709	20	30		FDEDRO
C=CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cn(C)nn2)CC1	ZINC001131555738	940731119	/nfs/dbraw/zinc/73/11/19/940731119.db2.gz	URAXSLJIGWOKIC-MJGOQNOKSA-N	1	0	361.490	1.657	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCO)CC1	ZINC001131558079	940732412	/nfs/dbraw/zinc/73/24/12/940732412.db2.gz	GPOXZAIJBFOCAP-WSTZPKSXSA-N	1	0	368.518	1.583	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N(C)C)CC1	ZINC001131550235	940739096	/nfs/dbraw/zinc/73/90/96/940739096.db2.gz	PADUMVYZCABWKF-SUMDDJOVSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](CC)NC(C)=O)CC1	ZINC001131570688	940746552	/nfs/dbraw/zinc/74/65/52/940746552.db2.gz	NZICONFJCLCVKL-OTWHNJEPSA-N	1	0	365.518	1.853	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(C)nn2CC)CC1	ZINC001131570647	940746560	/nfs/dbraw/zinc/74/65/60/940746560.db2.gz	LNFUSVUMKHFSNK-MJGOQNOKSA-N	1	0	358.486	1.834	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCOCCCOC)CC1	ZINC001131590421	940759801	/nfs/dbraw/zinc/75/98/01/940759801.db2.gz	AESRIPIDSRASCO-QUCCMNQESA-N	1	0	366.502	1.439	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@]2(C)CCOC2)CC1	ZINC001131582933	940768942	/nfs/dbraw/zinc/76/89/42/940768942.db2.gz	GSJDIGGTLGFMIN-WSTZPKSXSA-N	1	0	364.486	1.049	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCc2nc(C)no2)CC1	ZINC001131605009	940774754	/nfs/dbraw/zinc/77/47/54/940774754.db2.gz	SGSWJJWWLLXYSI-APWZRJJASA-N	1	0	360.458	1.320	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc[nH]c(=O)c3)C2)C1=O	ZINC001086671978	940779346	/nfs/dbraw/zinc/77/93/46/940779346.db2.gz	ZLYLWYHWHOASNW-IMJJTQAJSA-N	1	0	358.442	1.062	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCCO)CC2)cn1	ZINC001131597151	940780790	/nfs/dbraw/zinc/78/07/90/940780790.db2.gz	OHBYUUJHHUZHBC-MOPGFXCFSA-N	1	0	357.454	1.045	20	30		FDEDRO
C=CCCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)COC)CC1	ZINC001131610362	940790367	/nfs/dbraw/zinc/79/03/67/940790367.db2.gz	NEXOJQQILXTTJS-SUMDDJOVSA-N	1	0	354.491	1.600	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCOCCOC)CC1	ZINC001131610464	940790386	/nfs/dbraw/zinc/79/03/86/940790386.db2.gz	RISUYFQFHJZRHC-MJGOQNOKSA-N	1	0	352.475	1.049	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)C(C)C	ZINC000809347226	940823395	/nfs/dbraw/zinc/82/33/95/940823395.db2.gz	HONJJKPZZCWDCW-ZDUSSCGKSA-N	1	0	360.462	1.071	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)cc1C#N	ZINC000809503450	940845387	/nfs/dbraw/zinc/84/53/87/940845387.db2.gz	BUYQRVAPSULAIL-UHFFFAOYSA-N	1	0	370.453	1.270	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1C#N	ZINC000809504114	940845667	/nfs/dbraw/zinc/84/56/67/940845667.db2.gz	GKILQQSBCVIVDY-NVXWUHKLSA-N	1	0	370.453	1.126	20	30		FDEDRO
CC(C)n1ncnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1	ZINC001086676633	940949149	/nfs/dbraw/zinc/94/91/49/940949149.db2.gz	MURCUYJXALXKTO-DZGCQCFKSA-N	1	0	355.446	1.747	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H]3CCN(C4CCC4)C3=O)C2)c[nH]1	ZINC001086676581	940949208	/nfs/dbraw/zinc/94/92/08/940949208.db2.gz	JYVUZSGEBZEKFH-JOQOYGCGSA-N	1	0	369.469	1.528	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc(C4CC4)[nH]3)C2)c[nH]1	ZINC001086676785	940949210	/nfs/dbraw/zinc/94/92/10/940949210.db2.gz	VKPNWPAXBXMHQI-SMDDNHRTSA-N	1	0	353.430	1.570	20	30		FDEDRO
CN1CCOC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1	ZINC001086677492	940955031	/nfs/dbraw/zinc/95/50/31/940955031.db2.gz	YNKBCAUBKLGZAV-JJRVBVJISA-N	1	0	362.499	1.325	20	30		FDEDRO
CS(=O)(=O)CCOCC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F	ZINC000810146876	940960877	/nfs/dbraw/zinc/96/08/77/940960877.db2.gz	YVTVXTMGMBYODC-UHFFFAOYSA-N	1	0	350.362	1.728	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1	ZINC000810411110	940986820	/nfs/dbraw/zinc/98/68/20/940986820.db2.gz	IPVHNSACVQXNBC-UHFFFAOYSA-N	1	0	373.388	1.173	20	30		FDEDRO
Cn1ncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)c1N	ZINC001086679391	941015517	/nfs/dbraw/zinc/01/55/17/941015517.db2.gz	PCCFKWIAGLTBLX-NWDGAFQWSA-N	1	0	358.471	1.624	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cnnc(C)c3)C2)C1=O	ZINC001086682929	941060712	/nfs/dbraw/zinc/06/07/12/941060712.db2.gz	OEOJHFYKGUGZTQ-UAGQMJEPSA-N	1	0	357.458	1.060	20	30		FDEDRO
Cn1oc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)cc1=O	ZINC001086683274	941062191	/nfs/dbraw/zinc/06/21/91/941062191.db2.gz	HGLYBLSZYIQPGO-JKSUJKDBSA-N	1	0	354.410	1.538	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1	ZINC000810842110	941067557	/nfs/dbraw/zinc/06/75/57/941067557.db2.gz	SPHLGGPHDVDKEZ-JKSUJKDBSA-N	1	0	362.451	1.382	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000810848320	941067867	/nfs/dbraw/zinc/06/78/67/941067867.db2.gz	SKICDXZGUYNVHW-JKSUJKDBSA-N	1	0	362.451	1.382	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1	ZINC001133130819	941182028	/nfs/dbraw/zinc/18/20/28/941182028.db2.gz	PYKFZPQHDVYJOA-UHFFFAOYSA-N	1	0	355.442	1.208	20	30		FDEDRO
CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N	ZINC000812196430	941186769	/nfs/dbraw/zinc/18/67/69/941186769.db2.gz	QARYPMRUJDBCPH-RBSFLKMASA-N	1	0	367.494	1.773	20	30		FDEDRO
C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC001133398308	941245621	/nfs/dbraw/zinc/24/56/21/941245621.db2.gz	PBURESDXMGMSAP-CRAIPNDOSA-N	1	0	363.889	1.611	20	30		FDEDRO
C#C[C@H](NC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1)c1ccc(F)cc1	ZINC000812755078	941268756	/nfs/dbraw/zinc/26/87/56/941268756.db2.gz	LGSYKYSWPZXSIY-NEWSRXKRSA-N	1	0	371.456	1.949	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)CC1	ZINC000747824356	941279923	/nfs/dbraw/zinc/27/99/23/941279923.db2.gz	MGPDWRFMDYDAEU-BZSISCHUSA-N	1	0	371.525	1.921	20	30		FDEDRO
C#C[C@H](NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(F)cc1	ZINC000812893651	941293358	/nfs/dbraw/zinc/29/33/58/941293358.db2.gz	ZMIRWKLKGYUZCM-OALUTQOASA-N	1	0	374.460	1.206	20	30		FDEDRO
C#C[C@H](NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(F)cc1	ZINC000812893650	941293565	/nfs/dbraw/zinc/29/35/65/941293565.db2.gz	ZMIRWKLKGYUZCM-MOPGFXCFSA-N	1	0	374.460	1.206	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1	ZINC001134053056	941530068	/nfs/dbraw/zinc/53/00/68/941530068.db2.gz	LVKNTYHSJCICAS-MAZHCROVSA-N	1	0	365.861	1.964	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)Cc1ccccc1F	ZINC001134055114	941531443	/nfs/dbraw/zinc/53/14/43/941531443.db2.gz	ZWOOSWMESLGWGV-WBVHZDCISA-N	1	0	363.433	1.081	20	30		FDEDRO
Cn1cncc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]Cc1ccc(OCC#N)cc1	ZINC001134049736	941537361	/nfs/dbraw/zinc/53/73/61/941537361.db2.gz	MDZTUEPMUXSWRF-IAGOWNOFSA-N	1	0	353.426	1.332	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)Nc1cccc(C)c1C	ZINC001134061847	941540465	/nfs/dbraw/zinc/54/04/65/941540465.db2.gz	GOWQJNDASWNJFN-NUJGCVRESA-N	1	0	359.470	1.927	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)Nc1ccc(C)cc1F	ZINC001134062239	941540750	/nfs/dbraw/zinc/54/07/50/941540750.db2.gz	UETQOJFJHLKCRY-CPUCHLNUSA-N	1	0	363.433	1.758	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)Nc1ccnn1C(C)C	ZINC001134062294	941540892	/nfs/dbraw/zinc/54/08/92/941540892.db2.gz	WASQEEHJQPCEQV-KFWWJZLASA-N	1	0	363.462	1.088	20	30		FDEDRO
COC(=O)[C@H](NCC(=O)NCC[NH+]1CCCCCC1)c1ccc(C#N)cc1	ZINC000814248624	941601305	/nfs/dbraw/zinc/60/13/05/941601305.db2.gz	YOWHTRNAXBTFIL-LJQANCHMSA-N	1	0	372.469	1.354	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(OC)ccn2)C1	ZINC001086720541	941624414	/nfs/dbraw/zinc/62/44/14/941624414.db2.gz	BAJVQYZWJFJCTP-QKLQHJQFSA-N	1	0	370.497	1.562	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)N2CCc3ccccc3C2)CC1	ZINC000747965588	941696683	/nfs/dbraw/zinc/69/66/83/941696683.db2.gz	JJGCUGSMHOGWBQ-INIZCTEOSA-N	1	0	353.466	1.421	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC1	ZINC000747980244	941726960	/nfs/dbraw/zinc/72/69/60/941726960.db2.gz	UMSPFOILJPHUFU-SFHVURJKSA-N	1	0	374.460	1.599	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC1	ZINC000747981897	941728480	/nfs/dbraw/zinc/72/84/80/941728480.db2.gz	YLJFUCPJQJRHPW-KRWDZBQOSA-N	1	0	362.518	1.670	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1	ZINC000815082354	941777336	/nfs/dbraw/zinc/77/73/36/941777336.db2.gz	MHNHMXURZVWKLT-UHFFFAOYSA-N	1	0	358.847	1.360	20	30		FDEDRO
C#CCCCCCC(=O)N[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@H]1O	ZINC001195306770	970839893	/nfs/dbraw/zinc/83/98/93/970839893.db2.gz	HCUNGYAXLIITCL-WOJBJXKFSA-N	1	0	358.482	1.948	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(C1CC1)C1CC1	ZINC001135058108	941874082	/nfs/dbraw/zinc/87/40/82/941874082.db2.gz	FLJPEQRXEPFDCK-LPHOPBHVSA-N	1	0	363.502	1.368	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3onc(C)c3C)C2)C1=O	ZINC001086727617	941880688	/nfs/dbraw/zinc/88/06/88/941880688.db2.gz	BWHYWZFZBCWVKY-ARFHVFGLSA-N	1	0	360.458	1.566	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N(CC(C)C)C1CC1	ZINC001135067574	941883330	/nfs/dbraw/zinc/88/33/30/941883330.db2.gz	BJGKDCOVFYTCRC-HKUYNNGSSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCO[C@H]2c2ccccc2)C1=O	ZINC001135132709	941924484	/nfs/dbraw/zinc/92/44/84/941924484.db2.gz	RBQDVAPPTBJSGN-SQNIBIBYSA-N	1	0	357.454	1.257	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N[C@H](C)c1cccs1	ZINC001135145409	941929135	/nfs/dbraw/zinc/92/91/35/941929135.db2.gz	HGEUHLCIZALLJW-KEYYUXOJSA-N	1	0	365.499	1.612	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCc1ccc(C)cc1	ZINC001135145803	941929615	/nfs/dbraw/zinc/92/96/15/941929615.db2.gz	UPBYAPTUAKOLPR-HKUYNNGSSA-N	1	0	359.470	1.298	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N(C)Cc1ccccc1	ZINC001135145823	941929732	/nfs/dbraw/zinc/92/97/32/941929732.db2.gz	VHQKRPICURBKFJ-HKUYNNGSSA-N	1	0	359.470	1.332	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1	ZINC000815831266	941981674	/nfs/dbraw/zinc/98/16/74/941981674.db2.gz	DKTQQLGBBHGRDY-FQEVSTJZSA-N	1	0	355.438	1.581	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1c(F)c(F)c(F)c(F)c1F	ZINC000815860678	941995851	/nfs/dbraw/zinc/99/58/51/941995851.db2.gz	WGHNJNJYXIAMKX-UHFFFAOYSA-N	1	0	363.286	1.392	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(C(=O)OC)ccc1Cl	ZINC000815861524	941997061	/nfs/dbraw/zinc/99/70/61/941997061.db2.gz	MRTLEZPDKFQPJG-UHFFFAOYSA-N	1	0	365.817	1.136	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc2sc(C)nc2cc1OC	ZINC000815861030	941997536	/nfs/dbraw/zinc/99/75/36/941997536.db2.gz	NKZNCICYFKMKNM-UHFFFAOYSA-N	1	0	374.466	1.623	20	30		FDEDRO
C=CCOc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3C)C2)cc1	ZINC001086735866	942104356	/nfs/dbraw/zinc/10/43/56/942104356.db2.gz	RKKSVAJSNMPWIN-GOEBONIOSA-N	1	0	370.457	1.463	20	30		FDEDRO
CCN1CCOC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001086738913	942156917	/nfs/dbraw/zinc/15/69/17/942156917.db2.gz	YMYZFLXLVHVOMG-DBVUQKKJSA-N	1	0	370.497	1.653	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(=O)n(CCOC)c2)C1	ZINC001086743204	942210001	/nfs/dbraw/zinc/21/00/01/942210001.db2.gz	CNHDLVNPJMYGPU-GOEBONIOSA-N	1	0	367.877	1.735	20	30		FDEDRO
C[C@H](CC#N)[N@H+](C)C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1	ZINC000816503489	942233251	/nfs/dbraw/zinc/23/32/51/942233251.db2.gz	AABZFXSCWFPXHS-CABCVRRESA-N	1	0	352.479	1.984	20	30		FDEDRO
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC(C[NH+]2CCN(C)CC2)C1	ZINC000816752130	942333713	/nfs/dbraw/zinc/33/37/13/942333713.db2.gz	RAPWTTVWYPAQRN-UHFFFAOYSA-N	1	0	367.453	1.570	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)cc1	ZINC001086773872	942462509	/nfs/dbraw/zinc/46/25/09/942462509.db2.gz	KMBLVJHWHHPWGF-FUHWJXTLSA-N	1	0	354.454	1.181	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H](C)c3nncn3C)C2)c1	ZINC001086798341	942634445	/nfs/dbraw/zinc/63/44/45/942634445.db2.gz	IREXUYDEMKGLGL-UKPHBRMFSA-N	1	0	352.442	1.441	20	30		FDEDRO
CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1nc2cc(OC)c(OC)cc2cc1C#N	ZINC001170869459	942786532	/nfs/dbraw/zinc/78/65/32/942786532.db2.gz	DKZRMTOEMSBSRO-UKRRQHHQSA-N	1	0	370.409	1.687	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)c1	ZINC000817842717	943004638	/nfs/dbraw/zinc/00/46/38/943004638.db2.gz	BBKJNOVELCMMOU-UHFFFAOYSA-N	1	0	367.449	1.776	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C)[nH]c3C)C2)C1=O	ZINC001086815631	943069105	/nfs/dbraw/zinc/06/91/05/943069105.db2.gz	COFQWBJWEOUTOJ-LZLYRXPVSA-N	1	0	358.486	1.907	20	30		FDEDRO
CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2[NH3+])c1	ZINC000818082699	943156095	/nfs/dbraw/zinc/15/60/95/943156095.db2.gz	QMXHIZCPVLQKNK-JXGZPRAZSA-N	1	0	364.471	1.565	20	30		FDEDRO
C=CCN(Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000775659252	970982024	/nfs/dbraw/zinc/98/20/24/970982024.db2.gz	HIZYXCLBJBCOKO-LJQANCHMSA-N	1	0	363.527	1.614	20	30		FDEDRO
CNS(=O)(=O)Cc1ccc(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)cc1	ZINC000818944155	943355580	/nfs/dbraw/zinc/35/55/80/943355580.db2.gz	HTGQMKUKWUFXAU-GOSISDBHSA-N	1	0	359.451	1.431	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[NH2+]CCCN2CCN(c3ncccn3)CC2)cc1	ZINC000818950462	943360640	/nfs/dbraw/zinc/36/06/40/943360640.db2.gz	SOTNMPMVRPLGGO-IBGZPJMESA-N	1	0	366.469	1.184	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnc(C)s3)C2)nn1	ZINC001086822925	943382862	/nfs/dbraw/zinc/38/28/62/943382862.db2.gz	DRXXBTYTAWKAKU-UONOGXRCSA-N	1	0	360.487	1.917	20	30		FDEDRO
CC(C)c1ccccc1OC[C@@H](O)C[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000819053025	943396411	/nfs/dbraw/zinc/39/64/11/943396411.db2.gz	IBPASKBLWDPSQV-DNTCVELPSA-N	1	0	373.453	1.666	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccnc3)C2)nn1	ZINC001086824533	943412578	/nfs/dbraw/zinc/41/25/78/943412578.db2.gz	MZUMRADXWHVXBU-DOTOQJQBSA-N	1	0	354.458	1.938	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nccc(C)n3)C2)nn1	ZINC001086824784	943415205	/nfs/dbraw/zinc/41/52/05/943415205.db2.gz	YQAXCGCJRPERAB-JKSUJKDBSA-N	1	0	369.473	1.641	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3conc3C)C2)nn1	ZINC001086824420	943432058	/nfs/dbraw/zinc/43/20/58/943432058.db2.gz	HFWMXYYLWOSVLL-GOEBONIOSA-N	1	0	358.446	1.839	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cscn3)C2)nn1	ZINC001086824964	943437962	/nfs/dbraw/zinc/43/79/62/943437962.db2.gz	JXDZNNAMWYLMPR-UONOGXRCSA-N	1	0	360.487	1.999	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)cc1C#N	ZINC000819182926	943465955	/nfs/dbraw/zinc/46/59/55/943465955.db2.gz	SFRFFJLOUKTERZ-HNNXBMFYSA-N	1	0	365.389	1.314	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[NH2+]CCS(=O)(=O)CCc2ccccc2)cc1	ZINC000819291266	943504867	/nfs/dbraw/zinc/50/48/67/943504867.db2.gz	LRWAVYSYVRHKEP-LJQANCHMSA-N	1	0	358.463	1.839	20	30		FDEDRO
COc1ccc(N2CCN(C[C@H](O)C[NH2+]CC(C)(C)CC#N)CC2)cc1	ZINC000819363816	943556392	/nfs/dbraw/zinc/55/63/92/943556392.db2.gz	OGJLJVMKWRHJRL-GOSISDBHSA-N	1	0	360.502	1.708	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCC[N@@H+]1CCCOCC1	ZINC000819505467	943600066	/nfs/dbraw/zinc/60/00/66/943600066.db2.gz	GFWINJWRDWBHFM-OAHLLOKOSA-N	1	0	368.478	1.412	20	30		FDEDRO
CC[C@H](C(=O)N[C@@H]1CN(c2cc(C)ncc2C#N)C[C@H]1O)[NH+](CC)CC	ZINC001090530225	943837958	/nfs/dbraw/zinc/83/79/58/943837958.db2.gz	MGEWQPORZHVYDM-JFIYKMOQSA-N	1	0	359.474	1.048	20	30		FDEDRO
C#C[C@@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)c1ccc(Br)cc1	ZINC000820615298	944119661	/nfs/dbraw/zinc/11/96/61/944119661.db2.gz	BFUJWWNJTMHIJZ-GDBMZVCRSA-N	1	0	368.275	1.735	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1O	ZINC001090552814	944643668	/nfs/dbraw/zinc/64/36/68/944643668.db2.gz	YBLFHOBGNHCODS-MZMPZRCHSA-N	1	0	360.433	1.237	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC000821861537	944736395	/nfs/dbraw/zinc/73/63/95/944736395.db2.gz	YLHIGPUVQVOAOW-OAHLLOKOSA-N	1	0	362.405	1.791	20	30		FDEDRO
NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)/C=C\c2ccc(F)cc2)C1	ZINC001136516613	944760506	/nfs/dbraw/zinc/76/05/06/944760506.db2.gz	DEFKNQYNMQVSRA-WUKHSURWSA-N	1	0	361.417	1.112	20	30		FDEDRO
C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)C#Cc1ccc2c(c1)OCO2	ZINC000856410694	971129309	/nfs/dbraw/zinc/12/93/09/971129309.db2.gz	NEIYZVVIQYMVKJ-QGZVFWFLSA-N	1	0	370.449	1.869	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)/C=C/c1ccc(C(N)=O)o1	ZINC000822475417	945017024	/nfs/dbraw/zinc/01/70/24/945017024.db2.gz	CYLDVOASWVZAAG-CSKARUKUSA-N	1	0	366.421	1.854	20	30		FDEDRO
CCOC(=O)CN(CC[NH3+])c1nc(Cl)cc(C(F)(F)F)c1C#N	ZINC001170989030	945037191	/nfs/dbraw/zinc/03/71/91/945037191.db2.gz	ISZZBOOHQCJDDQ-UHFFFAOYSA-N	1	0	350.728	1.954	20	30		FDEDRO
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1	ZINC000823131639	945513032	/nfs/dbraw/zinc/51/30/32/945513032.db2.gz	TZNPOVMIAXDVPA-OALUTQOASA-N	1	0	372.469	1.486	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccc(F)cc2)C[C@H]1O	ZINC001195732661	971160067	/nfs/dbraw/zinc/16/00/67/971160067.db2.gz	FIBUVNCRZAAWGS-RCCFBDPRSA-N	1	0	350.434	1.247	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)CN1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21	ZINC000823535488	945807934	/nfs/dbraw/zinc/80/79/34/945807934.db2.gz	UUVGFDPSFQPAJL-JYJNAYRXSA-N	1	0	364.490	1.936	20	30		FDEDRO
CON=C(C(=O)N(CC[NH+](C)C)Cc1ccsc1)c1csc(N)n1	ZINC000823541201	945813562	/nfs/dbraw/zinc/81/35/62/945813562.db2.gz	JLLMQXIJUDRKDX-UHFFFAOYSA-N	1	0	367.500	1.728	20	30		FDEDRO
C#CC[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2)C(=O)OC	ZINC000823518602	945825179	/nfs/dbraw/zinc/82/51/79/945825179.db2.gz	FMWSRVBFMXTDDU-BBTUJRGHSA-N	1	0	370.449	1.206	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1C)[NH+]1CCCCC1	ZINC001090721062	945968316	/nfs/dbraw/zinc/96/83/16/945968316.db2.gz	IAJFYQHJSUMTAF-KBAYOESNSA-N	1	0	370.501	1.800	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21	ZINC000824668817	946664783	/nfs/dbraw/zinc/66/47/83/946664783.db2.gz	VYEURKXAOAYNLR-XJKSGUPXSA-N	1	0	359.401	1.329	20	30		FDEDRO
C#CCCCC(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F	ZINC001573282923	946702734	/nfs/dbraw/zinc/70/27/34/946702734.db2.gz	DEKGGNWWTRCVHG-ZDUSSCGKSA-N	1	0	358.421	1.794	20	30		FDEDRO
C#CCCCC(=O)NC/C=C/C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573283910	946729982	/nfs/dbraw/zinc/72/99/82/946729982.db2.gz	NVKXGSSGRVDFAE-AATRIKPKSA-N	1	0	356.405	1.571	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)cc1	ZINC001573288007	946852668	/nfs/dbraw/zinc/85/26/68/946852668.db2.gz	HGAKLPUHCPTLPR-HNNXBMFYSA-N	1	0	373.420	1.239	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H](C)C[NH2+]Cc2ccccc2-c2nn[nH]n2)cn1	ZINC001573288097	946854223	/nfs/dbraw/zinc/85/42/23/946854223.db2.gz	NGJBCGLXOPZJBM-ZDUSSCGKSA-N	1	0	361.409	1.151	20	30		FDEDRO
C#Cc1ccc(C(=O)NCCC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)nc1	ZINC001573288555	946871453	/nfs/dbraw/zinc/87/14/53/946871453.db2.gz	RQTKJZOODOZBFM-UHFFFAOYSA-N	1	0	367.438	1.214	20	30		FDEDRO
C=C(Br)C[NH2+][C@H](C)[C@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001573291536	946919284	/nfs/dbraw/zinc/91/92/84/946919284.db2.gz	FQDGCDZUMXSVCX-BDAKNGLRSA-N	1	0	368.239	1.200	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H](C)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573292509	946935529	/nfs/dbraw/zinc/93/55/29/946935529.db2.gz	WTNRBFRCWLLQTH-VIFPVBQESA-N	1	0	368.239	1.154	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573560713	946955726	/nfs/dbraw/zinc/95/57/26/946955726.db2.gz	FOFUQPQRXFJYAA-FZMZJTMJSA-N	1	0	357.393	1.198	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)C1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1	ZINC001573561727	946966193	/nfs/dbraw/zinc/96/61/93/946966193.db2.gz	MMAAXDWRYNJQIC-HIFPTAJRSA-N	1	0	373.486	1.947	20	30		FDEDRO
C=C(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1	ZINC001573294167	946981247	/nfs/dbraw/zinc/98/12/47/946981247.db2.gz	XCTFZJHXESEBMO-GFCCVEGCSA-N	1	0	365.388	1.458	20	30		FDEDRO
C=C(C)CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c[nH]c(-c3nn[nH]n3)c1)O2	ZINC001573294221	946982143	/nfs/dbraw/zinc/98/21/43/946982143.db2.gz	YVWMIEFVWNSUAD-CQSZACIVSA-N	1	0	371.445	1.124	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1	ZINC001573294271	946982168	/nfs/dbraw/zinc/98/21/68/946982168.db2.gz	ZZYLPRQRTDPEGT-XJKSGUPXSA-N	1	0	355.446	1.697	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1	ZINC001573294270	946983799	/nfs/dbraw/zinc/98/37/99/946983799.db2.gz	ZZYLPRQRTDPEGT-CZUORRHYSA-N	1	0	355.446	1.697	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@H+](Cc1cc(F)ccc1-c1nn[nH]n1)C2	ZINC001573564144	946990335	/nfs/dbraw/zinc/99/03/35/946990335.db2.gz	GPWMSOZOOFDKLN-LBPRGKRZSA-N	1	0	369.404	1.200	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1CC	ZINC001573294652	946994824	/nfs/dbraw/zinc/99/48/24/946994824.db2.gz	FKIIPYMOXASAIJ-AAEUAGOBSA-N	1	0	363.853	1.778	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC(C)([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1	ZINC001573565517	947009653	/nfs/dbraw/zinc/00/96/53/947009653.db2.gz	RNRODCIXZVHCJO-GFCCVEGCSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573565754	947013341	/nfs/dbraw/zinc/01/33/41/947013341.db2.gz	VJYLYSDUQFAJBR-DGCLKSJQSA-N	1	0	357.393	1.198	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC(CCN(C)c2cc[nH+]cc2-c2nn[nH]n2)CC1	ZINC001573565850	947015858	/nfs/dbraw/zinc/01/58/58/947015858.db2.gz	WSTSKLWYOZSHBP-CYBMUJFWSA-N	1	0	368.445	1.486	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC([N@H+](C)Cc2cc(F)ccc2-c2nn[nH]n2)CC1	ZINC001573566007	947019593	/nfs/dbraw/zinc/01/95/93/947019593.db2.gz	YVDOMOCSSGBKHD-LBPRGKRZSA-N	1	0	371.420	1.588	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1	ZINC001573566938	947035707	/nfs/dbraw/zinc/03/57/07/947035707.db2.gz	IECPQNFIWMYVQW-JSGCOSHPSA-N	1	0	371.420	1.636	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1	ZINC001573296109	947039685	/nfs/dbraw/zinc/03/96/85/947039685.db2.gz	ZKFXNQSNAAGFAR-VXGBXAGGSA-N	1	0	363.853	1.778	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)CCCN(c1cc[nH+]cc1-c1nn[nH]n1)C2	ZINC001573567927	947059903	/nfs/dbraw/zinc/05/99/03/947059903.db2.gz	UYEQJUNSJICWPA-UGSOOPFHSA-N	1	0	366.429	1.240	20	30		FDEDRO
C=C1CC(C)(C(=O)NC[C@@H](C)[NH2+]Cc2cc(-c3nn[nH]n3)ccc2OC)C1	ZINC001573297762	947066174	/nfs/dbraw/zinc/06/61/74/947066174.db2.gz	LGLFVQJOFQEEPP-CYBMUJFWSA-N	1	0	370.457	1.826	20	30		FDEDRO
C=C(C)CCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1	ZINC001573298666	947079663	/nfs/dbraw/zinc/07/96/63/947079663.db2.gz	FLQFBLFIIZJJAS-INIZCTEOSA-N	1	0	358.446	1.132	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@@H]2C1	ZINC001573570436	947089695	/nfs/dbraw/zinc/08/96/95/947089695.db2.gz	ORKHCNAQLSKFBG-BNOWGMLFSA-N	1	0	369.404	1.056	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)C(C)(C)C	ZINC001573572484	947114644	/nfs/dbraw/zinc/11/46/44/947114644.db2.gz	IUHURBMVCHSJLZ-SWLSCSKDSA-N	1	0	355.446	1.647	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1	ZINC001573300618	947117805	/nfs/dbraw/zinc/11/78/05/947117805.db2.gz	MCINAYKMRNEUBY-OLZOCXBDSA-N	1	0	357.462	1.899	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC1(C)CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC001573573634	947124318	/nfs/dbraw/zinc/12/43/18/947124318.db2.gz	OPNYTFBSSJCQIX-ZDUSSCGKSA-N	1	0	353.430	1.497	20	30		FDEDRO
CC(C)[C@H](CNC(=O)[C@H](C)C#N)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1	ZINC001573577534	947169563	/nfs/dbraw/zinc/16/95/63/947169563.db2.gz	QYNVCLUOJRHZSP-ABAIWWIYSA-N	1	0	359.409	1.396	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1	ZINC001573581923	947184855	/nfs/dbraw/zinc/18/48/55/947184855.db2.gz	ANCDHFDDFKZUJF-NEPJUHHUSA-N	1	0	359.459	1.416	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573582698	947194140	/nfs/dbraw/zinc/19/41/40/947194140.db2.gz	GHSCXTSVCGHAAF-CHWSQXEVSA-N	1	0	371.420	1.494	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)[C@@H]1C	ZINC001573309548	947202486	/nfs/dbraw/zinc/20/24/86/947202486.db2.gz	KKOTUYDWENYQKL-AZOIQLNYSA-N	1	0	370.457	1.273	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1	ZINC001573583433	947203012	/nfs/dbraw/zinc/20/30/12/947203012.db2.gz	LUCJXBMHEPUUTB-GFCCVEGCSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@H](C#N)C(=O)NCCC1(C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1	ZINC001573584395	947222432	/nfs/dbraw/zinc/22/24/32/947222432.db2.gz	VFNDTSXWXTWCAD-GFCCVEGCSA-N	1	0	371.420	1.542	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N(C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1	ZINC001573317141	947292345	/nfs/dbraw/zinc/29/23/45/947292345.db2.gz	LOWOOGCKCVQBEK-SUMWQHHRSA-N	1	0	369.473	1.935	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnnn2CC)C[C@H]1c1ccc(OC)cc1	ZINC001090871290	947429382	/nfs/dbraw/zinc/42/93/82/947429382.db2.gz	MMQONPYECYALNS-DLBZAZTESA-N	1	0	355.442	1.690	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1c1ccc(OC)cc1	ZINC001090871297	947429513	/nfs/dbraw/zinc/42/95/13/947429513.db2.gz	MRMOSTFYELMTAZ-DLBZAZTESA-N	1	0	355.442	1.598	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1c1ccc(OC)cc1	ZINC001090874985	947485960	/nfs/dbraw/zinc/48/59/60/947485960.db2.gz	YSHCPXZOCGNFRH-ZWKOTPCHSA-N	1	0	368.437	1.965	20	30		FDEDRO
C#C[C@H](NC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1)c1ccccc1	ZINC000843967357	947548058	/nfs/dbraw/zinc/54/80/58/947548058.db2.gz	LSSVGIYHIIOVNY-OTWHNJEPSA-N	1	0	353.466	1.810	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1c1ccc(OC)cc1	ZINC001090877139	947566030	/nfs/dbraw/zinc/56/60/30/947566030.db2.gz	KKJIOCXMDGKDNA-RBUKOAKNSA-N	1	0	366.465	1.579	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1c1ccc(OC)cc1	ZINC001090877239	947566269	/nfs/dbraw/zinc/56/62/69/947566269.db2.gz	MRWJIQLOBQHHLA-DLBZAZTESA-N	1	0	368.437	1.173	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001573350407	947596755	/nfs/dbraw/zinc/59/67/55/947596755.db2.gz	AYKTWFVIYPRLJO-CVEARBPZSA-N	1	0	356.430	1.054	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cncc(C#C)c2)C[C@H]1c1ccc(OC)cc1	ZINC001090881028	947597661	/nfs/dbraw/zinc/59/76/61/947597661.db2.gz	VNSMGVGOOZVVRV-LEWJYISDSA-N	1	0	359.429	1.903	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CCC(N)=O)cc2)C1	ZINC001196062708	971405440	/nfs/dbraw/zinc/40/54/40/971405440.db2.gz	VWGPGIMZISQQHH-ZTFGCOKTSA-N	1	0	359.470	1.234	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn(CC=C)nn2)C[C@H]1c1ccc(OC)cc1	ZINC001090881794	947606332	/nfs/dbraw/zinc/60/63/32/947606332.db2.gz	OVCRCHVCIDXOLA-ZWKOTPCHSA-N	1	0	367.453	1.857	20	30		FDEDRO
CC#CC[N@H+](CC1CC1)C1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1	ZINC001573358656	947668075	/nfs/dbraw/zinc/66/80/75/947668075.db2.gz	OIPVLKAHWDOPOW-UHFFFAOYSA-N	1	0	367.457	1.535	20	30		FDEDRO
CC#CCCCC(=O)N(C)CC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1OC	ZINC001573358895	947672272	/nfs/dbraw/zinc/67/22/72/947672272.db2.gz	LKLZYRMIQRPZPG-UHFFFAOYSA-N	1	0	370.457	1.617	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1	ZINC001573359077	947676045	/nfs/dbraw/zinc/67/60/45/947676045.db2.gz	VNHCBAFYRANVME-YOEHRIQHSA-N	1	0	367.457	1.535	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1CCn2c(CCc3ccccc3)nnc2C1	ZINC000844186953	947824448	/nfs/dbraw/zinc/82/44/48/947824448.db2.gz	AJTOAOSASDTTHY-INIZCTEOSA-N	1	0	352.442	1.427	20	30		FDEDRO
CO[C@@H]1CN(c2snc(Cl)c2C#N)C[C@H]1NC(=O)CCC[NH+](C)C	ZINC001090934698	948040906	/nfs/dbraw/zinc/04/09/06/948040906.db2.gz	UWISCORSUKVJKV-VXGBXAGGSA-N	1	0	371.894	1.330	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C(=O)Nc4cnccn4)[C@@H]3C2)nc1	ZINC001144157498	948299292	/nfs/dbraw/zinc/29/92/92/948299292.db2.gz	LHFXOCWQAHVJKP-OIISXLGYSA-N	1	0	364.409	1.076	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3COC[C@@H](C(=O)N4CCCCO4)[C@@H]3C2)nc1	ZINC001144157500	948299887	/nfs/dbraw/zinc/29/98/87/948299887.db2.gz	LPPZTVIICULZPY-KBAYOESNSA-N	1	0	356.426	1.202	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H](C(=O)N3CC=CC3)C3(C2)CCOCC3)nc1	ZINC001144157504	948300206	/nfs/dbraw/zinc/30/02/06/948300206.db2.gz	LUTVCXAODUIWJH-SFHVURJKSA-N	1	0	352.438	1.580	20	30		FDEDRO
CN1CC[NH+](C[C@@H]2Cn3ccnc3CN(Cc3ccc(C#N)cn3)C2)CC1	ZINC001144158486	948301889	/nfs/dbraw/zinc/30/18/89/948301889.db2.gz	HMVCNMBPZXGSGW-SFHVURJKSA-N	1	0	365.485	1.029	20	30		FDEDRO
CN(C)C(=O)C1CC[NH+](C2CCN(Cc3ccc(C#N)cn3)CC2)CC1	ZINC001144158683	948302734	/nfs/dbraw/zinc/30/27/34/948302734.db2.gz	PERMENVQTAVNDW-UHFFFAOYSA-N	1	0	355.486	1.718	20	30		FDEDRO
N#Cc1cccn(CN2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)c1=O	ZINC000844729476	948337085	/nfs/dbraw/zinc/33/70/85/948337085.db2.gz	NAUIZGXPENBGPO-WOJBJXKFSA-N	1	0	364.449	1.653	20	30		FDEDRO
N#C[C@]1(F)CCN(CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2=O)C1	ZINC000844702835	948347904	/nfs/dbraw/zinc/34/79/04/948347904.db2.gz	OUFRACZNBFHMAS-CMKODMSKSA-N	1	0	356.445	1.862	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NCC2CC([NH2+]Cc3cccc(C#N)c3)C2)C1	ZINC001091033722	948555944	/nfs/dbraw/zinc/55/59/44/948555944.db2.gz	BREUDQUGFCZVLQ-HELAGCTPSA-N	1	0	354.454	1.457	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC([NH2+]Cc2snnc2C)C1	ZINC001091034558	948559465	/nfs/dbraw/zinc/55/94/65/948559465.db2.gz	NBKXMOJLZXMBTA-CVSAEHQPSA-N	1	0	350.488	1.812	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)CCN3CCOC3=O)CC2)c1	ZINC000845006401	948585751	/nfs/dbraw/zinc/58/57/51/948585751.db2.gz	FKNHXMUDPCYFIZ-UHFFFAOYSA-N	1	0	356.426	1.481	20	30		FDEDRO
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCCN1CCC([NH+](C)C)CC1	ZINC000845077676	948673309	/nfs/dbraw/zinc/67/33/09/948673309.db2.gz	WJOOHJHLQSSEPJ-IBGZPJMESA-N	1	0	373.501	1.259	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(C#N)CCSC1	ZINC000845358774	949056830	/nfs/dbraw/zinc/05/68/30/949056830.db2.gz	DREVREJDHMUAMU-MLGOLLRUSA-N	1	0	356.492	1.347	20	30		FDEDRO
C[C@@H](NC(=O)C#CC(C)(C)C)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001575248886	949082902	/nfs/dbraw/zinc/08/29/02/949082902.db2.gz	WZPPSBLFVOFQNQ-CQSZACIVSA-N	1	0	366.469	1.853	20	30		FDEDRO
O=C(NCCNC(=O)C1N=CC=CC1=O)c1ccc(NC2=[NH+]CCC2)cc1	ZINC001144428792	949180977	/nfs/dbraw/zinc/18/09/77/949180977.db2.gz	BTNKENLJOFKNIF-ZPHPHTNESA-N	1	0	367.409	1.547	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)OC[C@@H]2CC[N@H+]2C(C)(C)C)cc1	ZINC000845741780	949874863	/nfs/dbraw/zinc/87/48/63/949874863.db2.gz	YNGQVMGDBQEFEL-HNNXBMFYSA-N	1	0	364.467	1.628	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CS(=O)(=O)NC(C)(C)C)C2	ZINC001110113904	949903655	/nfs/dbraw/zinc/90/36/55/949903655.db2.gz	PMYCOYYLZMMCIB-FZKCQIBNSA-N	1	0	371.547	1.781	20	30		FDEDRO
C#Cc1ccc(C[N@H+]2CC[C@H]3O[C@@H](COCC(=O)N(C)C)CC[C@H]32)cc1	ZINC001144568628	949947064	/nfs/dbraw/zinc/94/70/64/949947064.db2.gz	ALVOJPMRCIVKHB-VAMGGRTRSA-N	1	0	356.466	1.895	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N[C@@H]2CN(c3ncccc3C#N)C[C@@H]2O)CCCCC1	ZINC001091165141	949962659	/nfs/dbraw/zinc/96/26/59/949962659.db2.gz	SQWOFBWAYZCUJM-SJORKVTESA-N	1	0	371.485	1.131	20	30		FDEDRO
CC(C)(C#N)c1ccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1	ZINC000845843565	950016190	/nfs/dbraw/zinc/01/61/90/950016190.db2.gz	YYDYXXPSWMUNOA-HOTGVXAUSA-N	1	0	363.483	1.629	20	30		FDEDRO
CC(C)C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H](C)C#N	ZINC001574151587	950083088	/nfs/dbraw/zinc/08/30/88/950083088.db2.gz	VWJKNKDWPCDBHC-IUODEOHRSA-N	1	0	373.436	1.786	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NC2CC(C[NH2+]Cc3ccc(C#N)cc3)C2)O1	ZINC000961987687	1013100048	/nfs/dbraw/zinc/10/00/48/1013100048.db2.gz	CBZDWFAIFPTUTF-YOODTLSXSA-N	1	0	356.470	1.262	20	30		FDEDRO
Cc1cc(N(C)C[C@H]2CCCN2C(=O)[C@@H](C)C#N)c(-c2nn[nH]n2)c[nH+]1	ZINC001570967503	950209542	/nfs/dbraw/zinc/20/95/42/950209542.db2.gz	IQAUSCAEEDMBJD-WCQYABFASA-N	1	0	354.418	1.157	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)[C@H](C)C1	ZINC001570994672	950967497	/nfs/dbraw/zinc/96/74/97/950967497.db2.gz	CDNRHAQIBJVZBN-IJLUTSLNSA-N	1	0	359.459	1.272	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC([NH2+]Cc2cc(=O)c(OC)co2)C1	ZINC001091243644	951143772	/nfs/dbraw/zinc/14/37/72/951143772.db2.gz	RNHAQZGAZVAMCD-SGALNCENSA-N	1	0	362.426	1.224	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CCNC(=O)CC3)CC2)c1	ZINC000846612305	951374485	/nfs/dbraw/zinc/37/44/85/951374485.db2.gz	SADYVUWRHIVOIH-QGZVFWFLSA-N	1	0	354.454	1.555	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1	ZINC000846663817	951430940	/nfs/dbraw/zinc/43/09/40/951430940.db2.gz	PCDKUQCIFCPRPQ-KRWDZBQOSA-N	1	0	368.437	1.828	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@H]3OCC[C@H]3C(C)C)c2)C1	ZINC001091401258	951575820	/nfs/dbraw/zinc/57/58/20/951575820.db2.gz	XBRKXQKAJWERHR-UFYCRDLUSA-N	1	0	371.481	1.845	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H]3CCO[C@H]3CC)c2)C1	ZINC001091404461	951598013	/nfs/dbraw/zinc/59/80/13/951598013.db2.gz	JVZQNNBRPVZYBI-AQNXPRMDSA-N	1	0	371.481	1.989	20	30		FDEDRO
C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]CC#Cc1ccccc1	ZINC001575069654	951645274	/nfs/dbraw/zinc/64/52/74/951645274.db2.gz	LJJZSZGLPDBAJU-CQSZACIVSA-N	1	0	363.425	1.202	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cccnc4)C[C@]3(C)C2)C1=O	ZINC001091436019	951754043	/nfs/dbraw/zinc/75/40/43/951754043.db2.gz	IOZOVEXJZYWPFR-HLIPFELVSA-N	1	0	354.454	1.262	20	30		FDEDRO
C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cc(C#N)c[nH]1	ZINC001575095150	951810996	/nfs/dbraw/zinc/81/09/96/951810996.db2.gz	SNHSBUSIVZSRGJ-GFCCVEGCSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[C@]12CN(C(=O)c3cc[n+]([O-])cc3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001091457236	951818222	/nfs/dbraw/zinc/81/82/22/951818222.db2.gz	UVVFMWXMAHCSLK-CTNGQTDRSA-N	1	0	362.433	1.786	20	30		FDEDRO
C[C@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001575103721	951877823	/nfs/dbraw/zinc/87/78/23/951877823.db2.gz	VKBUQPYCFZIJKQ-SNVBAGLBSA-N	1	0	370.442	1.378	20	30		FDEDRO
C[C@H](CNC(=O)c1c[nH]c(C#N)c1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1	ZINC001575107985	951922334	/nfs/dbraw/zinc/92/23/34/951922334.db2.gz	KKDHDOFBAMSBSD-LBPRGKRZSA-N	1	0	364.413	1.222	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ncoc4C)C[C@]3(C)C2)C1=O	ZINC001091524157	951933041	/nfs/dbraw/zinc/93/30/41/951933041.db2.gz	LOYPXZSQXZZBKL-VCBZYWHSSA-N	1	0	358.442	1.164	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3CCOC3)C[C@H]1C[N@H+](CC#Cc1ccc(F)cc1)C2	ZINC001091528571	951946545	/nfs/dbraw/zinc/94/65/45/951946545.db2.gz	KHZFFADUCGKWCB-UEXGIBASSA-N	1	0	356.441	1.994	20	30		FDEDRO
CC[NH+](CC)CCCC1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CC1	ZINC001571064416	951974844	/nfs/dbraw/zinc/97/48/44/951974844.db2.gz	VCPJBOFOZIKWOX-UHFFFAOYSA-N	1	0	369.477	1.867	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4n[nH]c(C)c4C)C[C@]3(C)C2)C1=O	ZINC001091553460	952038178	/nfs/dbraw/zinc/03/81/78/952038178.db2.gz	NITVUJRWUCPGOG-QINHECLXSA-N	1	0	371.485	1.207	20	30		FDEDRO
Cc1c(C(=O)N2C[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@@]3(C)C2)nnn1C	ZINC001091562246	952076024	/nfs/dbraw/zinc/07/60/24/952076024.db2.gz	UHWMBPVDQJDFST-NQIIRXRSSA-N	1	0	363.465	1.569	20	30		FDEDRO
C[C@@H](c1cnccn1)[N@@H+]1C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@]2(C)C1	ZINC001091574723	952112271	/nfs/dbraw/zinc/11/22/71/952112271.db2.gz	OOXMLNVBXJEOIG-OHNRDTAOSA-N	1	0	350.426	1.831	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)CCc4ccoc4)C[C@]3(C)C2)C1=O	ZINC001091586063	952164471	/nfs/dbraw/zinc/16/44/71/952164471.db2.gz	YQARREZJGFZANH-LQWHRVPQSA-N	1	0	371.481	1.779	20	30		FDEDRO
Cc1cc(C#N)nc(N[C@@H]2CC[C@H](CNC(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1	ZINC001091593120	952183154	/nfs/dbraw/zinc/18/31/54/952183154.db2.gz	GLDLLVISVHUCMX-ARFHVFGLSA-N	1	0	356.474	1.695	20	30		FDEDRO
C[C@]12CN(C(=O)C[C@H]3COC(=O)C3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001091598073	952199413	/nfs/dbraw/zinc/19/94/13/952199413.db2.gz	UFBUDGBOLFTPKN-OPYAIIAOSA-N	1	0	367.449	1.792	20	30		FDEDRO
C#CCN(CC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C(=O)OC(C)(C)C	ZINC001146981428	952265664	/nfs/dbraw/zinc/26/56/64/952265664.db2.gz	AALAEYWREQJCOZ-INIZCTEOSA-N	1	0	368.522	1.245	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@@]2(C)C1)n1cncn1	ZINC001091610169	952278568	/nfs/dbraw/zinc/27/85/68/952278568.db2.gz	HFNBDUGWTDFZEK-CVAIRZPRSA-N	1	0	364.453	1.691	20	30		FDEDRO
C[C@]12CN(C(=O)CCn3ccnn3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001091626531	952361399	/nfs/dbraw/zinc/36/13/99/952361399.db2.gz	HYYLZKSENHBXLR-QUCCMNQESA-N	1	0	364.453	1.520	20	30		FDEDRO
C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(-n2cncn2)cc1	ZINC000772981557	952403352	/nfs/dbraw/zinc/40/33/52/952403352.db2.gz	FPRNNHNWYDPDES-XAGMJWQQSA-N	1	0	352.398	1.444	20	30		FDEDRO
C[C@]12CN(C(=O)Cc3cncnc3)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001091634263	952412544	/nfs/dbraw/zinc/41/25/44/952412544.db2.gz	VHRFYHVAIFLKIU-IRLDBZIGSA-N	1	0	360.461	1.851	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCNC(=O)C1CC1)C2	ZINC001147583240	952444216	/nfs/dbraw/zinc/44/42/16/952444216.db2.gz	PEYCLXWSEYJJCY-SJORKVTESA-N	1	0	361.486	1.028	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@@]3(C)C2)o1	ZINC001091645296	952473664	/nfs/dbraw/zinc/47/36/64/952473664.db2.gz	CHPGAVINYMCTIC-XLIONFOSSA-N	1	0	365.437	1.773	20	30		FDEDRO
Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)c1	ZINC000772984733	952500116	/nfs/dbraw/zinc/50/01/16/952500116.db2.gz	OWYPXXUOBOUQKV-ORIGZDJFSA-N	1	0	356.426	1.828	20	30		FDEDRO
Cc1cc2ncc([C@H](C)[NH2+]CCNC(=O)C3N=CC=CC3=O)c(C)n2n1	ZINC000772984041	952524030	/nfs/dbraw/zinc/52/40/30/952524030.db2.gz	MEOYMIHOMXDXBK-HNAMICAMSA-N	1	0	354.414	1.523	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cn([C@H]4CCOC4)nc3C)C[C@]2(C)C1	ZINC001091672526	952588653	/nfs/dbraw/zinc/58/86/53/952588653.db2.gz	PWUWQDQJVRPROU-UWVAXJGDSA-N	1	0	356.470	1.570	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3ccco3)C2)C1	ZINC001148321018	952686276	/nfs/dbraw/zinc/68/62/76/952686276.db2.gz	NKISIWOWZAROIM-ARFHVFGLSA-N	1	0	357.454	1.608	20	30		FDEDRO
CN1C[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@@]3(C)C2)CC1=O	ZINC001091714605	952709268	/nfs/dbraw/zinc/70/92/68/952709268.db2.gz	AKLURKPLIRBUOU-UEXGIBASSA-N	1	0	366.465	1.317	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3cn(-c4cccnc4)nn3)C[C@]2(C)C1	ZINC001091722160	952727428	/nfs/dbraw/zinc/72/74/28/952727428.db2.gz	ZKZXUXASPWGTTE-BEFAXECRSA-N	1	0	352.442	1.632	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C)n3nnnc3C(C)(C)C)C[C@]2(C)C1	ZINC001091724595	952741172	/nfs/dbraw/zinc/74/11/72/952741172.db2.gz	FKDMVLRZBKYDIC-KHYOSLBOSA-N	1	0	360.506	1.888	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cncc(C)c3)C[C@@]2(C)C1	ZINC001091748286	952794215	/nfs/dbraw/zinc/79/42/15/952794215.db2.gz	JDRIVZAUNIBQEN-URVUXULASA-N	1	0	366.509	1.768	20	30		FDEDRO
C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCO[C@H]3c3nccn3C)C[C@]2(C)C1	ZINC001091752254	952803069	/nfs/dbraw/zinc/80/30/69/952803069.db2.gz	TVGDSRZRKWAKJT-VIPLHTEESA-N	1	0	358.486	1.854	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCN3c3ncccn3)C[C@]2(C)C1	ZINC001091755302	952818760	/nfs/dbraw/zinc/81/87/60/952818760.db2.gz	JGWKDGRGLAGSEZ-UWVAXJGDSA-N	1	0	353.470	1.249	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccn(CC)n3)C2)cn1	ZINC001086857553	952874833	/nfs/dbraw/zinc/87/48/33/952874833.db2.gz	JGUURYKCRBZJAF-MAUKXSAKSA-N	1	0	351.454	1.968	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCCC3)C2)nc1	ZINC001086856346	952903036	/nfs/dbraw/zinc/90/30/36/952903036.db2.gz	VOKNMCWJRWAIBF-ZWKOTPCHSA-N	1	0	368.481	1.564	20	30		FDEDRO
CN1C[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)CCC1=O	ZINC001086883638	952935770	/nfs/dbraw/zinc/93/57/70/952935770.db2.gz	QNOZZQGRYPGJAS-GBESFXJTSA-N	1	0	368.481	1.801	20	30		FDEDRO
COCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1	ZINC001086959817	952956271	/nfs/dbraw/zinc/95/62/71/952956271.db2.gz	VFWNNSXYTHKECE-FUHWJXTLSA-N	1	0	371.416	1.161	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccc(F)cc2)C1	ZINC001086970923	952972855	/nfs/dbraw/zinc/97/28/55/952972855.db2.gz	NUGUYYKSAMNWOF-DOPJRALCSA-N	1	0	355.417	1.803	20	30		FDEDRO
CCc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2c2cnn(C)c2)o1	ZINC001086971234	952973806	/nfs/dbraw/zinc/97/38/06/952973806.db2.gz	DFPJTJGHVLDKKD-UHOFOFEASA-N	1	0	370.457	1.523	20	30		FDEDRO
Cc1cc(C[NH2+][C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2c2cnn(C)c2)sn1	ZINC001086978756	952991439	/nfs/dbraw/zinc/99/14/39/952991439.db2.gz	OJLBXLZXWIUOQH-ZWKOTPCHSA-N	1	0	369.494	1.683	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2cccc(F)c2)C[C@H]1c1cnn(C)c1	ZINC001086979149	952992320	/nfs/dbraw/zinc/99/23/20/952992320.db2.gz	LLKBROBSLUWQBA-MDASCCDHSA-N	1	0	370.428	1.544	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(C)noc2C(C)C)C[C@H]1c1cnn(C)c1	ZINC001086982892	952996170	/nfs/dbraw/zinc/99/61/70/952996170.db2.gz	KBGOERLCSSDNOM-JKSUJKDBSA-N	1	0	355.442	1.671	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2coc(C(F)(F)F)n2)C[C@H]1c1cnn(C)c1	ZINC001086985738	953003941	/nfs/dbraw/zinc/00/39/41/953003941.db2.gz	AOMGTBSPWKWEJA-NWDGAFQWSA-N	1	0	367.331	1.258	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H]1c1cnn(C)c1	ZINC001086986029	953004780	/nfs/dbraw/zinc/00/47/80/953004780.db2.gz	RNJUUHWSSKJIEW-DOTOQJQBSA-N	1	0	354.458	1.406	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccc(COC)o2)C[C@H]1c1cnn(C)c1	ZINC001086986838	953008163	/nfs/dbraw/zinc/00/81/63/953008163.db2.gz	MERMLFRTWXUMHQ-DLBZAZTESA-N	1	0	358.442	1.933	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc3ccsc3[nH]2)C[C@H]1c1cnn(C)c1	ZINC001086989889	953015720	/nfs/dbraw/zinc/01/57/20/953015720.db2.gz	YVHFERBODQLIFN-GOEBONIOSA-N	1	0	353.451	1.794	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccnn2CCC)C[C@H]1c1cnn(C)c1	ZINC001086980953	953031506	/nfs/dbraw/zinc/03/15/06/953031506.db2.gz	GMIVCBXBCFIDPM-DLBZAZTESA-N	1	0	356.474	1.801	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnn3cc(C)cnc23)C[C@H]1c1cnn(C)c1	ZINC001086999563	953047191	/nfs/dbraw/zinc/04/71/91/953047191.db2.gz	LJLCWCPXTFESDY-DLBZAZTESA-N	1	0	365.441	1.155	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccc3nccnc32)C[C@H]1c1cnn(C)c1	ZINC001087003219	953058959	/nfs/dbraw/zinc/05/89/59/953058959.db2.gz	KQVYWMIWBWDZGK-FUHWJXTLSA-N	1	0	362.437	1.747	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2snnc2C(C)C)C[C@H]1c1cnn(C)c1	ZINC001087003173	953058987	/nfs/dbraw/zinc/05/89/87/953058987.db2.gz	IIKZXSSXILYKHK-UONOGXRCSA-N	1	0	360.487	1.779	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnn(CC)c2C2CC2)C[C@H]1c1cnn(C)c1	ZINC001087005330	953064086	/nfs/dbraw/zinc/06/40/86/953064086.db2.gz	XTCUITAILHQCKD-ZWKOTPCHSA-N	1	0	368.485	1.898	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cnnn2C)C1	ZINC001086995240	953067266	/nfs/dbraw/zinc/06/72/66/953067266.db2.gz	SRFRVUVSYVTRNN-YQVWRLOYSA-N	1	0	371.489	1.235	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C2CC2)C[C@H]1C[NH2+]Cc1ccc(OC)c(C#N)c1	ZINC001087015295	953070365	/nfs/dbraw/zinc/07/03/65/953070365.db2.gz	CFVUXEVBDKNFIG-IEBWSBKVSA-N	1	0	357.454	1.930	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC)C1	ZINC001087006158	953089632	/nfs/dbraw/zinc/08/96/32/953089632.db2.gz	LPUQBKHVMZFQBK-DLBZAZTESA-N	1	0	353.426	1.045	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCC3CC3)C2)cn1	ZINC001087006145	953089678	/nfs/dbraw/zinc/08/96/78/953089678.db2.gz	KYVHQSRGRRROJF-VQTJNVASSA-N	1	0	363.465	1.794	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(OC)cccc2OC)C[C@H]1c1cnn(C)c1	ZINC001087006928	953091698	/nfs/dbraw/zinc/09/16/98/953091698.db2.gz	BUULCZDKPYEPNS-JKSUJKDBSA-N	1	0	368.437	1.268	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(NC(C)=O)cc2)C[C@H]1c1cnn(C)c1	ZINC001087006931	953091724	/nfs/dbraw/zinc/09/17/24/953091724.db2.gz	BYVMEKZMZXNPMY-RBUKOAKNSA-N	1	0	367.453	1.762	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3cccnc3C2)C[C@H]1c1cnn(C)c1	ZINC001087007140	953092244	/nfs/dbraw/zinc/09/22/44/953092244.db2.gz	OWZPEVIELIELBH-VDZJLULYSA-N	1	0	351.454	1.300	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3cccnc3C2)C[C@H]1c1cnn(C)c1	ZINC001087007495	953092788	/nfs/dbraw/zinc/09/27/88/953092788.db2.gz	GUWPQCXBCRTHES-IMFGXOCKSA-N	1	0	365.481	1.690	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccnc2OCC)C[C@H]1c1cnn(C)c1	ZINC001087008011	953094416	/nfs/dbraw/zinc/09/44/16/953094416.db2.gz	IOTIDHLBGJOOID-DLBZAZTESA-N	1	0	353.426	1.045	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2C2CC2)C[C@H]1c1cnn(C)c1	ZINC001087012040	953105646	/nfs/dbraw/zinc/10/56/46/953105646.db2.gz	BWJBOBUMMJMKLW-DLBZAZTESA-N	1	0	354.458	1.415	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087029674	953121523	/nfs/dbraw/zinc/12/15/23/953121523.db2.gz	CYIYFIOSDLHNNH-QZTJIDSGSA-N	1	0	353.426	1.548	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1nnc(C2CC2)s1	ZINC001087035973	953146129	/nfs/dbraw/zinc/14/61/29/953146129.db2.gz	SZOVXXIOLCURIQ-MRVWCRGKSA-N	1	0	363.487	1.528	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cocn2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087034621	953172924	/nfs/dbraw/zinc/17/29/24/953172924.db2.gz	OFVKBHHVEVIQCI-SJLPKXTDSA-N	1	0	354.410	1.813	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+][C@@H](C)c1nnc(CC)[nH]1	ZINC001087052591	953183815	/nfs/dbraw/zinc/18/38/15/953183815.db2.gz	BTGCWYXGSVLTHR-NUEKZKHPSA-N	1	0	359.474	1.295	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+][C@@H](C)c1nnc(CC)o1	ZINC001087052735	953183975	/nfs/dbraw/zinc/18/39/75/953183975.db2.gz	JLVPIBZFTKGVOV-NUEKZKHPSA-N	1	0	360.458	1.560	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1cnc(C)nc1	ZINC001087046810	953194599	/nfs/dbraw/zinc/19/45/99/953194599.db2.gz	BUCRZOCWROYYSK-SJLPKXTDSA-N	1	0	368.441	1.252	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]C[C@@H]1CCCCO1	ZINC001087047112	953195373	/nfs/dbraw/zinc/19/53/73/953195373.db2.gz	SWEZVCFLRXXBOQ-BPQIPLTHSA-N	1	0	360.458	1.522	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C2CC(OC)C2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087061545	953205613	/nfs/dbraw/zinc/20/56/13/953205613.db2.gz	NFMJFJVPPZFBQG-CQJJOKNBSA-N	1	0	371.481	1.936	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2cnnn2CC)[C@H](OCC)C1	ZINC001087071265	953225187	/nfs/dbraw/zinc/22/51/87/953225187.db2.gz	GOINCGLYTPOTDK-NVXWUHKLSA-N	1	0	363.506	1.853	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cnns3)[C@H](OCC)C2)cc1	ZINC001087071296	953225370	/nfs/dbraw/zinc/22/53/70/953225370.db2.gz	IBEAUPCIPRNQBR-SJLPKXTDSA-N	1	0	370.478	1.786	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ccnn3C)[C@H](OCC)C2)cc1	ZINC001087071608	953226062	/nfs/dbraw/zinc/22/60/62/953226062.db2.gz	YLCSIMUAYKUTCA-UYAOXDASSA-N	1	0	366.465	1.668	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2cncc(OC)n2)[C@H](OCC)C1	ZINC001087072014	953226530	/nfs/dbraw/zinc/22/65/30/953226530.db2.gz	NXRRKZOVUDRQLX-GDBMZVCRSA-N	1	0	362.474	1.651	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3cc(C)on3)[C@H](OCC)C2)c1	ZINC001087082175	953240591	/nfs/dbraw/zinc/24/05/91/953240591.db2.gz	AHJRNLQHDJGURO-IEBWSBKVSA-N	1	0	368.437	1.626	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3ccn(C)n3)[C@H](OCC)C2)c1	ZINC001087082508	953241090	/nfs/dbraw/zinc/24/10/90/953241090.db2.gz	OINRIQBTKOIHAW-IEBWSBKVSA-N	1	0	367.453	1.063	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]C[C@H]3CCCOC3)[C@H](OCC)C2)c1	ZINC001087082708	953241492	/nfs/dbraw/zinc/24/14/92/953241492.db2.gz	WULMMNIFQIBOEB-MISYRCLQSA-N	1	0	371.481	1.556	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001087092028	953256225	/nfs/dbraw/zinc/25/62/25/953256225.db2.gz	SADNANRVKUNIGN-BXUZGUMPSA-N	1	0	360.443	1.005	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cnon2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087092253	953256493	/nfs/dbraw/zinc/25/64/93/953256493.db2.gz	CDFYEKXRKPQMPG-NVXWUHKLSA-N	1	0	355.398	1.208	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cc(C)no3)[C@H](OCC)C2)nc1	ZINC001087097311	953284450	/nfs/dbraw/zinc/28/44/50/953284450.db2.gz	ILTLBARFRBEVRQ-VQIMIIECSA-N	1	0	368.437	1.626	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ccon3)[C@H](OCC)C2)cn1	ZINC001087097348	953284497	/nfs/dbraw/zinc/28/44/97/953284497.db2.gz	LNSMGUSUWIRYFY-CRAIPNDOSA-N	1	0	354.410	1.318	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nncs3)[C@H](OCC)C2)nc1	ZINC001087097538	953284823	/nfs/dbraw/zinc/28/48/23/953284823.db2.gz	VMKJLUQDCDIHSH-GDBMZVCRSA-N	1	0	371.466	1.181	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3cn(C)nc3[C@@H]3CCOC3)C[C@]2(C)C1	ZINC001091886853	953529453	/nfs/dbraw/zinc/52/94/53/953529453.db2.gz	CWQOCGGQHXXCEB-QINHECLXSA-N	1	0	358.486	1.894	20	30		FDEDRO
C[C@]12CN(C(=O)c3csnn3)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001091890307	953535144	/nfs/dbraw/zinc/53/51/44/953535144.db2.gz	PPYGMIUNMGMPFN-APWZRJJASA-N	1	0	352.463	1.984	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N1C[C@H]2CCN(c3ccncc3C#N)C[C@H]2C1	ZINC001091856830	953565073	/nfs/dbraw/zinc/56/50/73/953565073.db2.gz	MRTBQOMRKQHDOF-AEFFLSMTSA-N	1	0	355.486	1.970	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(c3nc(C)cc(C#N)n3)C[C@H]2C1	ZINC001091860156	953583630	/nfs/dbraw/zinc/58/36/30/953583630.db2.gz	IUCFGELHWDOAKK-CVEARBPZSA-N	1	0	356.474	1.283	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)nc3n[nH]c(C)c32)C1	ZINC001196905530	971983670	/nfs/dbraw/zinc/98/36/70/971983670.db2.gz	VIUVYGJMADDGSN-DAXOMENPSA-N	1	0	357.458	1.704	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)Cn3c(=O)[nH]c4ccccc43)C[C@]2(C)C1	ZINC001092047769	954078212	/nfs/dbraw/zinc/07/82/12/954078212.db2.gz	PGUMVAVENKUCLU-QRWLVFNGSA-N	1	0	352.438	1.546	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@H]2C)n1	ZINC001092021962	954093657	/nfs/dbraw/zinc/09/36/57/954093657.db2.gz	WWRFEVNXXCBKEG-MRAWALMUSA-N	1	0	356.474	1.334	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3C[N@@H+](Cc4cnc(C)cn4)C[C@@]3(C)C2)nn1	ZINC001092080422	954226927	/nfs/dbraw/zinc/22/69/27/954226927.db2.gz	ZKBBAYGIZQVWQK-BEFAXECRSA-N	1	0	367.457	1.157	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@H]3C[N@H+](Cc4ccccn4)C[C@@]3(C)C2)nn1	ZINC001092085744	954237284	/nfs/dbraw/zinc/23/72/84/954237284.db2.gz	YZDJAVWPVMPXFW-UZLBHIALSA-N	1	0	366.469	1.843	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)C[C@]2(C)C1	ZINC001092090467	954251063	/nfs/dbraw/zinc/25/10/63/954251063.db2.gz	RSJIPPAMCRJCJL-MLYOOKFZSA-N	1	0	356.470	1.092	20	30		FDEDRO
CCn1cc(C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@@]3(C)C2)nn1	ZINC001092144560	954384483	/nfs/dbraw/zinc/38/44/83/954384483.db2.gz	VWXCPZGGZIUURI-ACJLOTCBSA-N	1	0	370.482	1.825	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@H]3CCCS(=O)(=O)C3)C[C@]2(C)C1	ZINC001092175917	954463750	/nfs/dbraw/zinc/46/37/50/954463750.db2.gz	LWPPPYMGIVTWCO-LMMKCTJWSA-N	1	0	368.543	1.948	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(N4CCCC4)nn3)C[C@]2(C)C1	ZINC001092190791	954495870	/nfs/dbraw/zinc/49/58/70/954495870.db2.gz	XKDZOYYRFMPKRA-UZLBHIALSA-N	1	0	353.470	1.494	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)C3CCC(C(=O)N(C)C)CC3)C[C@]2(C)C1	ZINC001092192276	954498966	/nfs/dbraw/zinc/49/89/66/954498966.db2.gz	IGSGWHKPUFPCHW-PKZBPHAMSA-N	1	0	359.514	1.685	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]1C[N@H+](Cc1ccc(C#N)c(F)c1)C2	ZINC001092215166	954544019	/nfs/dbraw/zinc/54/40/19/954544019.db2.gz	NFYVVAYAXFEKNH-SYNHAJSKSA-N	1	0	370.428	1.256	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(Cc4ncccn4)C[C@@]3(C)C2)CC1	ZINC001092299776	954748038	/nfs/dbraw/zinc/74/80/38/954748038.db2.gz	IBVAFUCCNDSNCK-NQIIRXRSSA-N	1	0	367.497	1.102	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CN(c3ccnc(C#N)n3)C[C@@]2(C)C1	ZINC001092300794	954749939	/nfs/dbraw/zinc/74/99/39/954749939.db2.gz	HMSDMKNNBQCSRE-KUHUBIRLSA-N	1	0	356.474	1.363	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN3CC(F)(F)F)C[C@]2(C)C1	ZINC001092302793	954761207	/nfs/dbraw/zinc/76/12/07/954761207.db2.gz	QJLVTJPCRPQIAK-INMHGKMJSA-N	1	0	357.420	1.817	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N2C[C@H]3CN(c4ccc(C#N)cn4)C[C@@]3(C)C2)CC1	ZINC001092304019	954763777	/nfs/dbraw/zinc/76/37/77/954763777.db2.gz	XFOBOYIJCFIOIK-APWZRJJASA-N	1	0	353.470	1.580	20	30		FDEDRO
C[NH+](C)CCCC(=O)N1C[C@H]2CN(c3ncc(C#N)cc3F)C[C@@]2(C)C1	ZINC001092305376	954768971	/nfs/dbraw/zinc/76/89/71/954768971.db2.gz	NEBPFOSIIDJUDE-HNAYVOBHSA-N	1	0	359.449	1.719	20	30		FDEDRO
CC[C@H](C(=O)N1C[C@H]2CN(c3cncc(C#N)n3)C[C@@]2(C)C1)[NH+](CC)CC	ZINC001092307135	954774703	/nfs/dbraw/zinc/77/47/03/954774703.db2.gz	QKEFOOYYSJBKFJ-MDYRTPRTSA-N	1	0	370.501	1.753	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N1C[C@H]2CN(c3ccnc(C#N)n3)C[C@@]2(C)C1	ZINC001092292939	954897419	/nfs/dbraw/zinc/89/74/19/954897419.db2.gz	DFTCIUGNEFLNAF-BEFAXECRSA-N	1	0	356.474	1.365	20	30		FDEDRO
C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1cncn1C)c1nccn12	ZINC001092392814	954994317	/nfs/dbraw/zinc/99/43/17/954994317.db2.gz	LKPUUDQLXDVZCH-OAGGEKHMSA-N	1	0	366.469	1.568	20	30		FDEDRO
C[C@H](C(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C)[NH+]1CCCCCC1	ZINC001092404804	955025630	/nfs/dbraw/zinc/02/56/30/955025630.db2.gz	BCNZNJNWWJYTHL-BRWVUGGUSA-N	1	0	370.501	1.801	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1	ZINC001092405592	955028790	/nfs/dbraw/zinc/02/87/90/955028790.db2.gz	XECJKKDJTHVTQM-GDBMZVCRSA-N	1	0	356.474	1.269	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CNC(=O)CCC[NH+]1CCCCC1	ZINC001092366586	955033280	/nfs/dbraw/zinc/03/32/80/955033280.db2.gz	OBHMGIGOSPHPPQ-IAGOWNOFSA-N	1	0	370.501	1.803	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1	ZINC001092423476	955060048	/nfs/dbraw/zinc/06/00/48/955060048.db2.gz	LYTRPJVEMRJCDC-IDHHARJASA-N	1	0	368.485	1.411	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H](CNC(=O)C[N@@H+]3CCC[C@H]3C)[C@H](C)C2)n1	ZINC001092444895	955117344	/nfs/dbraw/zinc/11/73/44/955117344.db2.gz	KRQLPNUSXBRYNN-BZUAXINKSA-N	1	0	370.501	1.583	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CNC(=O)c2cnsn2)[C@H](C)C1	ZINC001092477244	955223810	/nfs/dbraw/zinc/22/38/10/955223810.db2.gz	JMNBZNGQHSRKML-IUODEOHRSA-N	1	0	371.466	1.916	20	30		FDEDRO
C[C@@H]1CN(c2ccncc2C#N)C[C@H]1CCNC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001092552265	955408408	/nfs/dbraw/zinc/40/84/08/955408408.db2.gz	ZZYXBUIGTYRIPB-SZVBFZGTSA-N	1	0	367.497	1.874	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CCNC(=O)C1([NH+](C)C)CCC1	ZINC001092552063	955408788	/nfs/dbraw/zinc/40/87/88/955408788.db2.gz	LJBUOXBEKGPMNG-HUUCEWRRSA-N	1	0	356.474	1.411	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c([nH]c2=O)CCCC3)C1	ZINC001197109346	972101220	/nfs/dbraw/zinc/10/12/20/972101220.db2.gz	VRYFBTQVGIULSN-FSPWUOQZSA-N	1	0	359.470	1.796	20	30		FDEDRO
C[C@@H]1CN(c2ccncc2C#N)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1	ZINC001092532771	955499943	/nfs/dbraw/zinc/49/99/43/955499943.db2.gz	RNMINOLORBPOSP-NVXWUHKLSA-N	1	0	355.486	1.874	20	30		FDEDRO
CC(C)[C@@H](C(=O)NCC[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C)[NH+](C)C	ZINC001092532859	955500289	/nfs/dbraw/zinc/50/02/89/955500289.db2.gz	AEDHRPKOMFTFNK-RKVPGOIHSA-N	1	0	358.490	1.513	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CCNC(=O)C[NH+]1CCC(C)CC1	ZINC001092540883	955537125	/nfs/dbraw/zinc/53/71/25/955537125.db2.gz	OORHVBCSXQVXHT-IAGOWNOFSA-N	1	0	370.501	1.659	20	30		FDEDRO
C[C@@H]1CCC[N@H+]1CC(=O)NCC[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C	ZINC001092588250	955559696	/nfs/dbraw/zinc/55/96/96/955559696.db2.gz	KXORUCNMWILFKX-BZUAXINKSA-N	1	0	356.474	1.411	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCC[C@@H]2CN(c3ccc(C#N)nn3)C[C@H]2C)CC[N@@H+]1C	ZINC001092598217	955603074	/nfs/dbraw/zinc/60/30/74/955603074.db2.gz	QSCAUIJKLBUIOK-KCYZZUKISA-N	1	0	356.474	1.267	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H](CNC(=O)c3cnnn3C)[C@H](C)C2)cc1C#N	ZINC001092582862	955726709	/nfs/dbraw/zinc/72/67/09/955726709.db2.gz	WHPBJRWTIBEIOK-CZUORRHYSA-N	1	0	368.441	1.193	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CNC(=O)c2cnnn2C)[C@H](C)C1	ZINC001092582931	955727166	/nfs/dbraw/zinc/72/71/66/955727166.db2.gz	ZOHPGQWIRFLUJT-CZUORRHYSA-N	1	0	368.441	1.193	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CCNC(=O)C[N@@H+]1CCC[C@@H]1C	ZINC001092584049	955729722	/nfs/dbraw/zinc/72/97/22/955729722.db2.gz	DYHQQPLFKRXUBV-OWCLPIDISA-N	1	0	356.474	1.411	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@@H]1CC(=O)N(C)C1	ZINC001092655579	955911381	/nfs/dbraw/zinc/91/13/81/955911381.db2.gz	SNHUITFCISHZTH-ZTFGCOKTSA-N	1	0	354.454	1.221	20	30		FDEDRO
CCN1C[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)CC1=O	ZINC001092655842	955912467	/nfs/dbraw/zinc/91/24/67/955912467.db2.gz	UGHBVKMISXIMBF-ATZDWAIDSA-N	1	0	368.481	1.611	20	30		FDEDRO
CC[C@H](C(=O)N1C[C@@H](CNc2nccnc2C#N)[C@H](C)C1)[NH+](CC)CC	ZINC001092675141	955983502	/nfs/dbraw/zinc/98/35/02/955983502.db2.gz	VVMYEXRZCWFGJC-BFYDXBDKSA-N	1	0	358.490	1.975	20	30		FDEDRO
N#Cc1nccnc1N1CC[C@@]2(CNC(=O)C[NH+]3CCCC3)CCC[C@@H]12	ZINC001092697923	956072072	/nfs/dbraw/zinc/07/20/72/956072072.db2.gz	KYKDBXVLIPBLLA-VQIMIIECSA-N	1	0	354.458	1.309	20	30		FDEDRO
CC(C)[N@H+](C)CC(=O)NC[C@]12CCC[C@H]1N(c1cnc(C#N)cn1)CC2	ZINC001092698094	956072140	/nfs/dbraw/zinc/07/21/40/956072140.db2.gz	MIZKKCPKFRQYFS-VQIMIIECSA-N	1	0	356.474	1.554	20	30		FDEDRO
C[NH+](C)CCCCC(=O)NC[C@]12CCC[C@H]1N(c1ccnc(C#N)n1)CC2	ZINC001092701316	956094413	/nfs/dbraw/zinc/09/44/13/956094413.db2.gz	ZJDOZEMXRSENNG-OXQOHEQNSA-N	1	0	370.501	1.945	20	30		FDEDRO
C[NH+](C)[C@@H](C(=O)NC[C@]12CCC[C@H]1N(c1ccnc(C#N)n1)CC2)C1CC1	ZINC001092705064	956115928	/nfs/dbraw/zinc/11/59/28/956115928.db2.gz	TUHRDDNPPYSSHV-XFQXTVEOSA-N	1	0	368.485	1.554	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)NC[C@]12CCC[C@H]1N(c1cncc(C#N)n1)CC2	ZINC001092712879	956150680	/nfs/dbraw/zinc/15/06/80/956150680.db2.gz	OGZFCUHIDULMDC-XAUMDUMWSA-N	1	0	368.485	1.698	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)[C@H](C)C1	ZINC001092690172	956198926	/nfs/dbraw/zinc/19/89/26/956198926.db2.gz	AZMXTLQMHRRBEU-VBSBHUPXSA-N	1	0	356.466	1.851	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2scnc2C)C[C@H]1C	ZINC001092690014	956199382	/nfs/dbraw/zinc/19/93/82/956199382.db2.gz	WPPNPVDGEJGFBG-OIISXLGYSA-N	1	0	360.527	1.733	20	30		FDEDRO
C=CCOc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2C)cc1	ZINC001092740822	956238780	/nfs/dbraw/zinc/23/87/80/956238780.db2.gz	UPRHUOOCHCOYPM-SJLPKXTDSA-N	1	0	369.469	1.841	20	30		FDEDRO
COc1cnc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)nc1	ZINC001092810409	956386801	/nfs/dbraw/zinc/38/68/01/956386801.db2.gz	RPOFPBXDSZFBGG-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)c1ccc(=O)n(C)c1	ZINC001092768924	956390872	/nfs/dbraw/zinc/39/08/72/956390872.db2.gz	UBEOZMQUJVTTDI-DNVCBOLYSA-N	1	0	364.449	1.755	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2ccc3c(n2)OCCO3)[C@H](C)C1	ZINC001092776233	956411854	/nfs/dbraw/zinc/41/18/54/956411854.db2.gz	YGXYDXHYELCPCJ-DGCLKSJQSA-N	1	0	351.834	1.903	20	30		FDEDRO
COc1nccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)n1	ZINC001092814637	956512029	/nfs/dbraw/zinc/51/20/29/956512029.db2.gz	QZAMTHDJVNDEHS-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@H]2C)cc1	ZINC001092875275	956617609	/nfs/dbraw/zinc/61/76/09/956617609.db2.gz	XCWIIRXZPCRGJF-OXQOHEQNSA-N	1	0	350.466	1.942	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(OCCOC)c2)C1	ZINC001197350157	972203168	/nfs/dbraw/zinc/20/31/68/972203168.db2.gz	QGVRWPKFBBJTKT-BMGDILEWSA-N	1	0	363.458	1.236	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)[C@@H]1CCC(=O)N1C	ZINC001092886847	956675446	/nfs/dbraw/zinc/67/54/46/956675446.db2.gz	BXAUSUFGCQIJOM-IOASZLSFSA-N	1	0	360.483	1.425	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@H]1CCNC(=O)CC1	ZINC001092855087	956697388	/nfs/dbraw/zinc/69/73/88/956697388.db2.gz	GFDGJMLHKUEKBN-GPMSIDNRSA-N	1	0	368.481	1.659	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)NCC(F)(F)F)C1	ZINC001197334463	972210981	/nfs/dbraw/zinc/21/09/81/972210981.db2.gz	UGGJXAHDTULVHA-CHWSQXEVSA-N	1	0	367.412	1.187	20	30		FDEDRO
C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1)CC(C)(C)C	ZINC001092920591	956787899	/nfs/dbraw/zinc/78/78/99/956787899.db2.gz	LEWJTESFHDSMEU-ILXRZTDVSA-N	1	0	356.474	1.552	20	30		FDEDRO
C[NH+](C)C1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(C#N)n2)CCCC1	ZINC001092899044	956834874	/nfs/dbraw/zinc/83/48/74/956834874.db2.gz	XWYOUGIFTGWDQZ-PMPSAXMXSA-N	1	0	368.485	1.839	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[N@@H+](Cc3cc4n(n3)CCC4)C[C@H]2C)c1	ZINC001092952889	956888232	/nfs/dbraw/zinc/88/82/32/956888232.db2.gz	UJFBFPBJKCVVEG-CRAIPNDOSA-N	1	0	363.465	1.704	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)c3occc3CC)[C@H](C)C2)C1=O	ZINC001092938768	956962669	/nfs/dbraw/zinc/96/26/69/956962669.db2.gz	BDASMUFPOPXOSD-OIISXLGYSA-N	1	0	359.470	1.927	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cccc(OC)n2)C[C@H]1C	ZINC001092977825	956974739	/nfs/dbraw/zinc/97/47/39/956974739.db2.gz	KPALPPAPAXZRBD-AHCXZYCDSA-N	1	0	359.470	1.865	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O	ZINC001092971046	957026965	/nfs/dbraw/zinc/02/69/65/957026965.db2.gz	SZYREICCURBFAJ-MPESAESLSA-N	1	0	358.417	1.003	20	30		FDEDRO
CCc1nc(C#N)cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C3)n1	ZINC001092992577	957072125	/nfs/dbraw/zinc/07/21/25/957072125.db2.gz	VPVVJQZPODIMEX-FPCVCCKLSA-N	1	0	356.474	1.477	20	30		FDEDRO
CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1)[NH+](CC)CC	ZINC001093042728	957206326	/nfs/dbraw/zinc/20/63/26/957206326.db2.gz	HCBPBOBBNAKIMR-VQHPVUNQSA-N	1	0	356.474	1.695	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CNC(=O)c2cnn(C)n2)[C@H](C)C1	ZINC001093051712	957225590	/nfs/dbraw/zinc/22/55/90/957225590.db2.gz	DWGMSTXDZHCJBY-CZUORRHYSA-N	1	0	368.441	1.193	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ncccc3C)C[C@H]2C)nn1	ZINC001093035118	957253021	/nfs/dbraw/zinc/25/30/21/957253021.db2.gz	NUIYNUIBXWMEAR-HZPDHXFCSA-N	1	0	354.458	1.665	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3ccnc(C)c3)[C@H](C)C2)C1=O	ZINC001093070382	957321580	/nfs/dbraw/zinc/32/15/80/957321580.db2.gz	ZPMGCTFIKHPBTE-ZTFGCOKTSA-N	1	0	356.470	1.475	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H](CNC(=O)c3cnon3)[C@H](C)C2)cc1C#N	ZINC001093070658	957323224	/nfs/dbraw/zinc/32/32/24/957323224.db2.gz	MAXXZXWQKIYMKL-IUODEOHRSA-N	1	0	355.398	1.448	20	30		FDEDRO
CCn1cc(C(=O)NC[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)nn1	ZINC001093090339	957524983	/nfs/dbraw/zinc/52/49/83/957524983.db2.gz	XNDATLQOXZTWAB-CZUORRHYSA-N	1	0	370.432	1.807	20	30		FDEDRO
CC[C@H](C(=O)N[C@]12CCC[C@H]1CN(c1nc(C)cc(C#N)n1)C2)[NH+](C)C	ZINC001093091335	957534451	/nfs/dbraw/zinc/53/44/51/957534451.db2.gz	XSIVEMSLIYMGTF-GMBSWORKSA-N	1	0	356.474	1.472	20	30		FDEDRO
CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(CNc2ccnc(C#N)n2)C1	ZINC001093123808	957585857	/nfs/dbraw/zinc/58/58/57/957585857.db2.gz	AQZWPKOMEPWUEI-KXBFYZLASA-N	1	0	356.474	1.151	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@@H]1C[N@H+](C[C@@H](CC)OC)C[C@H]1C	ZINC001093137760	957630712	/nfs/dbraw/zinc/63/07/12/957630712.db2.gz	JGAFOSNGPZAEIG-BRWVUGGUSA-N	1	0	359.470	1.816	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]2C)nc1	ZINC001093138232	957631636	/nfs/dbraw/zinc/63/16/36/957631636.db2.gz	UJOUESBKAXAQFO-CRAIPNDOSA-N	1	0	364.449	1.260	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3ccncc3)C[C@H]2C)C1=O	ZINC001093269999	957914947	/nfs/dbraw/zinc/91/49/47/957914947.db2.gz	FJVIXTZGIXNGEK-KBAYOESNSA-N	1	0	356.470	1.556	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCC(=O)NC2=O)C1	ZINC001093277363	957946808	/nfs/dbraw/zinc/94/68/08/957946808.db2.gz	GKZQRDHGPBZUIJ-BNOWGMLFSA-N	1	0	369.893	1.645	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H]3CCCNC3=O)C2)cn1	ZINC001093287805	957976680	/nfs/dbraw/zinc/97/66/80/957976680.db2.gz	IMHXMNXLYINIBJ-QGPMSJSTSA-N	1	0	354.454	1.029	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCNC2=O)C1	ZINC001093288629	957978800	/nfs/dbraw/zinc/97/88/00/957978800.db2.gz	KWSCCHUIBTWAPU-LZQZEXGQSA-N	1	0	353.466	1.173	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H]3CCCNC3=O)C2)nc1	ZINC001093289523	957982265	/nfs/dbraw/zinc/98/22/65/957982265.db2.gz	SABMLQXJRJJOTG-OIISXLGYSA-N	1	0	354.454	1.029	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnsn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093432113	958057098	/nfs/dbraw/zinc/05/70/98/958057098.db2.gz	APWYWNZPOJKGQV-MEWXFMAXSA-N	1	0	370.906	1.870	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)nn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093435716	958065716	/nfs/dbraw/zinc/06/57/16/958065716.db2.gz	VLDIMLICRVDGOW-DLVXIWMQSA-N	1	0	360.502	1.884	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(C)c3N)[C@H]2C(C)C)C[C@H]1O	ZINC001093441577	958077046	/nfs/dbraw/zinc/07/70/46/958077046.db2.gz	BXQJCMVDYKTIRG-OAFZBRQQSA-N	1	0	361.490	1.158	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3ccncn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093445452	958091661	/nfs/dbraw/zinc/09/16/61/958091661.db2.gz	CCXSJQJZPXPRMP-LFGUQSLTSA-N	1	0	356.470	1.009	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(OC)ns3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093446360	958093838	/nfs/dbraw/zinc/09/38/38/958093838.db2.gz	HKACGDNDAXGHHW-FAELENHSSA-N	1	0	363.483	1.365	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@@H]1C(C)C	ZINC001093447997	958104619	/nfs/dbraw/zinc/10/46/19/958104619.db2.gz	CCPUTGVCBBPFEY-ACXGAUJLSA-N	1	0	371.909	1.217	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(F)CCOCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093450124	958120815	/nfs/dbraw/zinc/12/08/15/958120815.db2.gz	TXXMQFYIRZAFDC-XLMAVXFVSA-N	1	0	354.466	1.657	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc4n[nH]nc4c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093451286	958132490	/nfs/dbraw/zinc/13/24/90/958132490.db2.gz	SNFGCJZMTFNAOA-NNFUDEMPSA-N	1	0	370.457	1.119	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)c2ccc3c[nH+]cn3c2)C[C@@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001093459476	958182159	/nfs/dbraw/zinc/18/21/59/958182159.db2.gz	USBYVPMEZZCMQA-FTEYMNFISA-N	1	0	367.453	1.438	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3snnc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001093459801	958183505	/nfs/dbraw/zinc/18/35/05/958183505.db2.gz	WBWOJYNBCHDGBI-DEICHXMPSA-N	1	0	362.499	1.313	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc4nonc4c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093463074	958195624	/nfs/dbraw/zinc/19/56/24/958195624.db2.gz	SLHAGKKUZBSPQA-XSYGEPLQSA-N	1	0	370.453	1.989	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C(N)=O)co3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093465274	958202613	/nfs/dbraw/zinc/20/26/13/958202613.db2.gz	IZHKVRMKGDSDEV-UMHPPVOVSA-N	1	0	361.442	1.144	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COC3CCOCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093465629	958205487	/nfs/dbraw/zinc/20/54/87/958205487.db2.gz	IQCJKGVGNNYDLB-LFGUQSLTSA-N	1	0	366.502	1.334	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)nn(C)c3F)[C@H]2C(C)C)C[C@H]1O	ZINC001093471007	958231661	/nfs/dbraw/zinc/23/16/61/958231661.db2.gz	BNMAJINOEXCUAS-GTACMHHNSA-N	1	0	364.465	1.633	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(OC)cc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093471988	958237159	/nfs/dbraw/zinc/23/71/59/958237159.db2.gz	HKJPNNQSKCQHIF-WERVVEIQSA-N	1	0	356.466	1.908	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(CC)c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093474332	958246989	/nfs/dbraw/zinc/24/69/89/958246989.db2.gz	UVNKZLCSDHJXQJ-MLYOOKFZSA-N	1	0	358.486	1.424	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C(N)=O)cc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093476600	958256227	/nfs/dbraw/zinc/25/62/27/958256227.db2.gz	CWTNXQJLYNZIML-IKVWTGGYSA-N	1	0	371.481	1.551	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cc(C4CC4)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452664	958259639	/nfs/dbraw/zinc/25/96/39/958259639.db2.gz	MCFXOPYQZVYBNB-UKAVVXHISA-N	1	0	370.497	1.360	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc4nccn4c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093453582	958263043	/nfs/dbraw/zinc/26/30/43/958263043.db2.gz	WSYHVBGHHUNPKJ-WOCWXWTJSA-N	1	0	369.469	1.495	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(=O)n(C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093453671	958264062	/nfs/dbraw/zinc/26/40/62/958264062.db2.gz	XDPKHKARFHCJKG-QQTQMKHKSA-N	1	0	359.470	1.151	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C4CC4)on3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093454240	958266493	/nfs/dbraw/zinc/26/64/93/958266493.db2.gz	AOOLMWLBGMNGPZ-QQTQMKHKSA-N	1	0	357.454	1.765	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3nccn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093455126	958271875	/nfs/dbraw/zinc/27/18/75/958271875.db2.gz	KOUZTTXWKMQPSO-YKCBXCCJSA-N	1	0	360.502	1.505	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncc(CC)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093456973	958279027	/nfs/dbraw/zinc/27/90/27/958279027.db2.gz	HKAMHXXMUHGMLU-XCJLJZCSSA-N	1	0	355.482	1.857	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccc(F)cc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093477759	958289932	/nfs/dbraw/zinc/28/99/32/958289932.db2.gz	MCNSDKKSGRMGRL-VURPSTOHSA-N	1	0	358.457	1.968	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCN3CCCC3=O)[C@H]2C(C)C)C[C@H]1O	ZINC001093480529	958303782	/nfs/dbraw/zinc/30/37/82/958303782.db2.gz	LDWIHGNODQIKRU-YAJHFMINSA-N	1	0	363.502	1.151	20	30		FDEDRO
C#CCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@H]2OCC[C@H]2C)CC1	ZINC001093490383	958311952	/nfs/dbraw/zinc/31/19/52/958311952.db2.gz	VJFBYLQFYOYGLY-LMCOJAPRSA-N	1	0	359.514	1.574	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1C	ZINC001093617766	958345634	/nfs/dbraw/zinc/34/56/34/958345634.db2.gz	BCHZTIAAXCUWHZ-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001093618249	958346364	/nfs/dbraw/zinc/34/63/64/958346364.db2.gz	UVSQLPWCSOCOSG-CZUORRHYSA-N	1	0	353.401	1.985	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3c(C)noc3C)C[C@H]2C)C1=O	ZINC001093629695	958388769	/nfs/dbraw/zinc/38/87/69/958388769.db2.gz	GJLMRZAELURVPU-WQVCFCJDSA-N	1	0	360.458	1.376	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001093635258	958399736	/nfs/dbraw/zinc/39/97/36/958399736.db2.gz	ZNDDJYZTESWXFU-RHSMWYFYSA-N	1	0	355.417	1.778	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001093639799	958408505	/nfs/dbraw/zinc/40/85/05/958408505.db2.gz	SXVWXYSDBLJASO-RHSMWYFYSA-N	1	0	370.432	1.563	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3cnsn3)C[C@H]2C)cc1C#N	ZINC001093650654	958433111	/nfs/dbraw/zinc/43/31/11/958433111.db2.gz	FQCMCYJLCRNCPV-IUODEOHRSA-N	1	0	371.466	1.916	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CCc3ccoc3)C[C@H]2C)C1=O	ZINC001093707344	958544089	/nfs/dbraw/zinc/54/40/89/958544089.db2.gz	NARAWHIZXMQMLR-KBAYOESNSA-N	1	0	359.470	1.683	20	30		FDEDRO
COc1ncc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)c(C)n1	ZINC001093699920	958566545	/nfs/dbraw/zinc/56/65/45/958566545.db2.gz	PMSREXOHHYDXPY-MLGOLLRUSA-N	1	0	368.441	1.491	20	30		FDEDRO
CC(C)c1noc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)n1	ZINC001093699948	958566937	/nfs/dbraw/zinc/56/69/37/958566937.db2.gz	QYJBOJGWIFEPEF-TZMCWYRMSA-N	1	0	356.430	1.891	20	30		FDEDRO
COc1cc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)sn1	ZINC001093722569	958599671	/nfs/dbraw/zinc/59/96/71/958599671.db2.gz	OSCYTHOPAPVXLJ-VXGBXAGGSA-N	1	0	359.455	1.849	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1)n1cncn1	ZINC001093725369	958605555	/nfs/dbraw/zinc/60/55/55/958605555.db2.gz	ITHDGUKUTPKVHH-IIDMSEBBSA-N	1	0	352.442	1.595	20	30		FDEDRO
CC(C)c1nnc(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)[nH]1	ZINC001093726060	958612783	/nfs/dbraw/zinc/61/27/83/958612783.db2.gz	NZEXYYPQTUBKJV-TZMCWYRMSA-N	1	0	355.446	1.626	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2COCCN2C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093728821	958620638	/nfs/dbraw/zinc/62/06/38/958620638.db2.gz	UEEHIDKYVOPFQK-ATZDWAIDSA-N	1	0	356.470	1.073	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001093739660	958654127	/nfs/dbraw/zinc/65/41/27/958654127.db2.gz	VZPDGSVFAFRBLB-RHSMWYFYSA-N	1	0	370.432	1.563	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3cc(C)sn3)C[C@H]2C)C1=O	ZINC001093739841	958655247	/nfs/dbraw/zinc/65/52/47/958655247.db2.gz	ILHHDNIDKDAIEK-YUELXQCFSA-N	1	0	362.499	1.536	20	30		FDEDRO
CCn1nncc1C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1	ZINC001093756181	958687740	/nfs/dbraw/zinc/68/77/40/958687740.db2.gz	DQBZLYHOHWPGEX-RHSMWYFYSA-N	1	0	352.442	1.668	20	30		FDEDRO
CCn1nncc1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)[C@H](C)C1	ZINC001093756295	958689100	/nfs/dbraw/zinc/68/91/00/958689100.db2.gz	KFCJGFLXEFRQDU-CZUORRHYSA-N	1	0	370.432	1.807	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093778148	958871128	/nfs/dbraw/zinc/87/11/28/958871128.db2.gz	KBMXFVFZAFNCQG-OHDICMOHSA-N	1	0	368.481	1.657	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]Cc2ccn(C)c(=O)c2)[C@H](C)C1	ZINC001093824888	958903285	/nfs/dbraw/zinc/90/32/85/958903285.db2.gz	RGLUFSUDJMKLLG-SJLPKXTDSA-N	1	0	368.481	1.871	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nccnc2C)[C@H](C)C1	ZINC001093832854	958926166	/nfs/dbraw/zinc/92/61/66/958926166.db2.gz	CWZLLSZGAWCBHR-SUMDDJOVSA-N	1	0	355.486	1.067	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093839806	958951344	/nfs/dbraw/zinc/95/13/44/958951344.db2.gz	ZMZTWOOHSCJHMS-OLMNPRSZSA-N	1	0	354.454	1.269	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001093842926	958958946	/nfs/dbraw/zinc/95/89/46/958958946.db2.gz	OVYNOXBFPZUGFM-MLGOLLRUSA-N	1	0	369.400	1.691	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1)S(C)(=O)=O	ZINC001093867649	959047390	/nfs/dbraw/zinc/04/73/90/959047390.db2.gz	WOGNMJNRVHMKBF-CKEIUWERSA-N	1	0	363.483	1.175	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001093964187	959372616	/nfs/dbraw/zinc/37/26/16/959372616.db2.gz	MPLRRIAVZDZZIJ-WQVCFCJDSA-N	1	0	358.417	1.018	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3nnc(CC)n3C)[C@H](C)C2)c1	ZINC001094028722	959551258	/nfs/dbraw/zinc/55/12/58/959551258.db2.gz	CFIVNMVCDGRKGX-RHSMWYFYSA-N	1	0	366.469	1.252	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001094037597	959579699	/nfs/dbraw/zinc/57/96/99/959579699.db2.gz	YFROFOBFNAKKDL-VFVRVIDISA-N	1	0	360.483	1.330	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)n2CC)[C@H](C)C1	ZINC001094055008	959643611	/nfs/dbraw/zinc/64/36/11/959643611.db2.gz	BOLVLTAJOZMEER-DZUCGIPZSA-N	1	0	361.490	1.382	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)nn2)[C@H](C)C1	ZINC001094055065	959644532	/nfs/dbraw/zinc/64/45/32/959644532.db2.gz	GERZSGFHIAYVMI-SRABZTEZSA-N	1	0	360.458	1.260	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2c(C)nnn2CC)[C@H](C)C1	ZINC001094055585	959647003	/nfs/dbraw/zinc/64/70/03/959647003.db2.gz	XTUODCGHASYGNU-IIVZCXTMSA-N	1	0	361.490	1.382	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C3CC3)[nH]2)[C@H](C)C1	ZINC001094055438	959647738	/nfs/dbraw/zinc/64/77/38/959647738.db2.gz	TVKCKXCLWOQSMR-MIGQKNRLSA-N	1	0	359.474	1.457	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001094016919	959661794	/nfs/dbraw/zinc/66/17/94/959661794.db2.gz	ZNEUYTGNIUDOEN-CZUORRHYSA-N	1	0	353.426	1.495	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3coc(C4CC4)n3)[C@H](C)C2)nn1	ZINC001094095349	959772354	/nfs/dbraw/zinc/77/23/54/959772354.db2.gz	OPQCKCZNGLAKMO-UKRRQHHQSA-N	1	0	370.457	1.827	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)c2ncccn2)C[C@H]1C	ZINC001094126130	959833835	/nfs/dbraw/zinc/83/38/35/959833835.db2.gz	ZNAXXKHHVJISNP-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(F)c(C#N)c3)[C@H](C)C2)nn1	ZINC001094138160	959874820	/nfs/dbraw/zinc/87/48/20/959874820.db2.gz	BTKUBEIUCIWEMW-CZUORRHYSA-N	1	0	370.432	1.807	20	30		FDEDRO
CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)c(F)c3)[C@H](C)C2)nn1	ZINC001094138931	959877030	/nfs/dbraw/zinc/87/70/30/959877030.db2.gz	YMXZKHQINHKILW-CZUORRHYSA-N	1	0	370.432	1.807	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ncc(Cl)n3C)[C@H](C)C2)cn1	ZINC001094174532	959978399	/nfs/dbraw/zinc/97/83/99/959978399.db2.gz	MTVSMYZCBFACDZ-UKRRQHHQSA-N	1	0	371.872	1.948	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)c3nnc(CC)[nH]3)[C@H](C)C2)cn1	ZINC001094174539	959978657	/nfs/dbraw/zinc/97/86/57/959978657.db2.gz	MZUHDBTWHUZMKY-IJEWVQPXSA-N	1	0	366.469	1.802	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](C)c3nnc(C)[nH]3)[C@H](C)C2)cn1	ZINC001094175011	959979811	/nfs/dbraw/zinc/97/98/11/959979811.db2.gz	WQNMVBAFIUCYRR-XJKCOSOUSA-N	1	0	352.442	1.548	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001094206346	960002902	/nfs/dbraw/zinc/00/29/02/960002902.db2.gz	IFCONPMEHMYRLP-NVXWUHKLSA-N	1	0	368.441	1.065	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)CCC=C3)C1	ZINC001197852437	972478741	/nfs/dbraw/zinc/47/87/41/972478741.db2.gz	YGSJNRRFFAGEAH-NIKGAXFTSA-N	1	0	369.465	1.112	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1cn(C2C[NH+](CC3CCC3)C2)nn1	ZINC001094327643	960264268	/nfs/dbraw/zinc/26/42/68/960264268.db2.gz	JXRDLUXVDRMPJC-ROUUACIJSA-N	1	0	359.474	1.532	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCOC	ZINC001110156174	960323367	/nfs/dbraw/zinc/32/33/67/960323367.db2.gz	YWSUEZJXDYSNIH-PMPSAXMXSA-N	1	0	366.506	1.398	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)CCC[C@@H]12	ZINC001094414996	960404080	/nfs/dbraw/zinc/40/40/80/960404080.db2.gz	ICOPITTVRVLWGV-XAUMDUMWSA-N	1	0	371.485	1.700	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3coc(S(C)(=O)=O)c3)CCC[C@@H]12	ZINC001094421169	960417850	/nfs/dbraw/zinc/41/78/50/960417850.db2.gz	ROZDDIVIFSDTGS-RHSMWYFYSA-N	1	0	352.456	1.844	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCN(C)C(=O)C3)CCC[C@@H]12	ZINC001094450745	960526101	/nfs/dbraw/zinc/52/61/01/960526101.db2.gz	IDIQBEBVVQOVLR-HDMKZQKVSA-N	1	0	353.894	1.968	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3c(C)nc4ccnn4c3C)CCC[C@@H]12	ZINC001094450829	960529186	/nfs/dbraw/zinc/52/91/86/960529186.db2.gz	LSOJIKBPYQFZAP-OXQOHEQNSA-N	1	0	351.454	1.954	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@@H]4CCNC4=O)CCC[C@@H]23)c1	ZINC001094488088	960581003	/nfs/dbraw/zinc/58/10/03/960581003.db2.gz	MLCLNYMXBZCYHG-DBXWQHBBSA-N	1	0	366.465	1.555	20	30		FDEDRO
N#Cc1ccccc1C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CNC(=O)N3)CCC[C@@H]12	ZINC001094501093	960627367	/nfs/dbraw/zinc/62/73/67/960627367.db2.gz	GFZBSLHGFPHPDB-MBOZVWFJSA-N	1	0	367.453	1.100	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(Cn4ccnn4)o3)CCC[C@@H]12	ZINC001094478399	960652952	/nfs/dbraw/zinc/65/29/52/960652952.db2.gz	JHIUXQQEIPHNNZ-IEBWSBKVSA-N	1	0	353.426	1.527	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[C@H](OC)CN3C(C)=O)CCC[C@@H]12	ZINC001094478676	960656431	/nfs/dbraw/zinc/65/64/31/960656431.db2.gz	ZYBUHGVSNCNESA-JRBPQWBISA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4ncn(C)c4n3)CCC[C@@H]12	ZINC001094509172	960688916	/nfs/dbraw/zinc/68/89/16/960688916.db2.gz	CHLFWJLAALSFJG-YLJYHZDGSA-N	1	0	351.454	1.966	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4ncn(C)c4n3)CCC[C@@H]12	ZINC001094511356	960694095	/nfs/dbraw/zinc/69/40/95/960694095.db2.gz	OWMBYWZHZAEFEY-YLJYHZDGSA-N	1	0	351.454	1.966	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3c4n(c(=O)n3C)CCCC4)CCC[C@@H]12	ZINC001094512698	960699208	/nfs/dbraw/zinc/69/92/08/960699208.db2.gz	TVXBYFFIYZIFBJ-OXQOHEQNSA-N	1	0	356.470	1.131	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)c3c(C)c[nH]c3CC(N)=O)CCC[C@@H]12	ZINC001094519222	960716616	/nfs/dbraw/zinc/71/66/16/960716616.db2.gz	AODZEHONAZJKJU-OXQOHEQNSA-N	1	0	358.486	1.901	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2cncn2C)CC3)nc1	ZINC001094560641	960810392	/nfs/dbraw/zinc/81/03/92/960810392.db2.gz	VHUBTJDVOSZUQY-TZIWHRDSSA-N	1	0	363.465	1.971	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(-n4cnnn4)c3)CCC[C@@H]12	ZINC001094575832	960858280	/nfs/dbraw/zinc/85/82/80/960858280.db2.gz	GJDXAIYOQLVWGA-IEBWSBKVSA-N	1	0	350.426	1.270	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)c3cncc(C(N)=O)c3)CCC[C@@H]12	ZINC001094580685	960875994	/nfs/dbraw/zinc/87/59/94/960875994.db2.gz	IDUBPCJLBHHBGT-CRAIPNDOSA-N	1	0	362.861	1.907	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C[C@@]1(C)C[NH2+]CC(=O)NCC#N	ZINC001181508358	960887398	/nfs/dbraw/zinc/88/73/98/960887398.db2.gz	WBHIKQVBWOMXCO-UIVXKWKOSA-N	1	0	362.518	1.773	20	30		FDEDRO
C#C[C@H](C)N(C)C(=O)C(=O)Nc1cccc(C(=O)NCC[NH+](CC)CC)c1	ZINC000773944241	961089991	/nfs/dbraw/zinc/08/99/91/961089991.db2.gz	XGQCLJMBVRGMPW-HNNXBMFYSA-N	1	0	372.469	1.177	20	30		FDEDRO
C=C(C)CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)CC2=O)C1	ZINC001094741037	961137308	/nfs/dbraw/zinc/13/73/08/961137308.db2.gz	WMXCAMGIWWYDJK-VUHPKUFZSA-N	1	0	357.498	1.956	20	30		FDEDRO
C#C[C@@H](C)N(C)C(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1	ZINC000773948718	961167807	/nfs/dbraw/zinc/16/78/07/961167807.db2.gz	OSHUNNOFLOZVCD-MRXNPFEDSA-N	1	0	368.481	1.637	20	30		FDEDRO
CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	ZINC001171878459	961317245	/nfs/dbraw/zinc/31/72/45/961317245.db2.gz	LFBMAOGXRUTXNR-OTWHNJEPSA-N	1	0	365.518	1.154	20	30		FDEDRO
Cc1ccccc1C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)CC1	ZINC001111504226	961496159	/nfs/dbraw/zinc/49/61/59/961496159.db2.gz	FGVCMINIOUASRM-NXHRZFHOSA-N	1	0	366.465	1.388	20	30		FDEDRO
N#Cc1ccccc1C(=O)N1CCC([NH2+][C@@H]2CCN3C(=O)CC[C@@H]3C2)CC1	ZINC001172153551	961513578	/nfs/dbraw/zinc/51/35/78/961513578.db2.gz	CVUBSRBBXPDLJL-QZTJIDSGSA-N	1	0	366.465	1.906	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2COCCC23OCCO3)C[C@H]1C#N	ZINC001172969012	961855380	/nfs/dbraw/zinc/85/53/80/961855380.db2.gz	RRRAVONPOJJYPE-SOUVJXGZSA-N	1	0	367.446	1.400	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([N@H+](C[C@@H](O)CO)C(C)(C)C)C[C@H]1C#N	ZINC001172990698	961868834	/nfs/dbraw/zinc/86/88/34/961868834.db2.gz	XUWWMYNWQMAEIJ-SOUVJXGZSA-N	1	0	355.479	1.732	20	30		FDEDRO
CCCCCCCC[C@@H](CCC)[NH2+]CC(=O)NCC(=O)NCC(N)=O	ZINC001173309462	961998420	/nfs/dbraw/zinc/99/84/20/961998420.db2.gz	IEKSWVPWPMZJFY-OAHLLOKOSA-N	1	0	356.511	1.213	20	30		FDEDRO
C=CCOC1CCC([N@@H+]2CC[C@H]3O[C@@H](C(=O)N4CCOCC4)C[C@H]32)CC1	ZINC001173321972	962003670	/nfs/dbraw/zinc/00/36/70/962003670.db2.gz	WKTKGWQQWDFBGO-CPLYBDICSA-N	1	0	364.486	1.591	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@]4(CNC(=O)O4)C3)CC2)cc1	ZINC001173432458	962150573	/nfs/dbraw/zinc/15/05/73/962150573.db2.gz	APKOOGVVNJADJP-FQEVSTJZSA-N	1	0	368.437	1.737	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NC(C)(C)C)C1	ZINC001182685658	962435087	/nfs/dbraw/zinc/43/50/87/962435087.db2.gz	ZFTAJIMKTDUWQU-IHSNIMORSA-N	1	0	365.518	1.566	20	30		FDEDRO
C[C@H]([NH2+]C1CCC(C)(C#N)CC1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC001173593747	962470471	/nfs/dbraw/zinc/47/04/71/962470471.db2.gz	SWJMCEPABAZHDZ-ABKMUHTPSA-N	1	0	356.470	1.650	20	30		FDEDRO
CN(C)C(=O)Cn1c(=O)ccc2c1CC[N@@H+](C1CCC(C)(C#N)CC1)CC2	ZINC001173596121	962472701	/nfs/dbraw/zinc/47/27/01/962472701.db2.gz	KJUBAEVGYSSFQT-UHFFFAOYSA-N	1	0	370.497	1.810	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(CO)cc2)c1	ZINC001095283159	962765506	/nfs/dbraw/zinc/76/55/06/962765506.db2.gz	JLPBQAUOZIAGRK-AOIWGVFYSA-N	1	0	350.422	1.914	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc3nonc3c2)c1	ZINC001095282950	962765608	/nfs/dbraw/zinc/76/56/08/962765608.db2.gz	FBKZLAIAIOYJGG-SKDZVZGDSA-N	1	0	362.393	1.958	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)N1CCCC1=O)C2	ZINC001111502306	962922777	/nfs/dbraw/zinc/92/27/77/962922777.db2.gz	AITAWJYOFZBGBF-VXNCWWDNSA-N	1	0	363.502	1.558	20	30		FDEDRO
N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)C1	ZINC001183392548	963007263	/nfs/dbraw/zinc/00/72/63/963007263.db2.gz	XZCPPCIBTDMYDM-JHJVBQTASA-N	1	0	360.380	1.185	20	30		FDEDRO
C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC[C@@H]1CCCO1	ZINC001110181306	963076990	/nfs/dbraw/zinc/07/69/90/963076990.db2.gz	BZMAZXSWHPXVLL-OWSLCNJRSA-N	1	0	352.475	1.496	20	30		FDEDRO
C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO[C@@H]1CCOC1	ZINC001110181547	963079403	/nfs/dbraw/zinc/07/94/03/963079403.db2.gz	JNJZHWIGUCLEIH-BDXSIMOUSA-N	1	0	352.475	1.496	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=O)NCC1CC1	ZINC001175360147	963166221	/nfs/dbraw/zinc/16/62/21/963166221.db2.gz	ZDLMZSRUTMGQLZ-OIISXLGYSA-N	1	0	351.491	1.368	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCn1nc(C)nc1C	ZINC001175364595	963167076	/nfs/dbraw/zinc/16/70/76/963167076.db2.gz	BGPUXGMZCMKMRW-QGTPRVQTSA-N	1	0	363.506	1.751	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1nc(CC)no1	ZINC001175364972	963169603	/nfs/dbraw/zinc/16/96/03/963169603.db2.gz	GILLTAYXPPUAQA-ZNMIVQPWSA-N	1	0	350.463	1.988	20	30		FDEDRO
N#C[C@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1	ZINC001183618994	963193769	/nfs/dbraw/zinc/19/37/69/963193769.db2.gz	WKLXJSCFNYVHQT-BZSNNMDCSA-N	1	0	357.454	1.834	20	30		FDEDRO
N#Cc1ccccc1CN1CCCC[C@@H]1C(=O)N1CCN2C(=O)CC[C@@H]2C1	ZINC001183831288	963301848	/nfs/dbraw/zinc/30/18/48/963301848.db2.gz	NEYMTFYRSOTSOX-RTBURBONSA-N	1	0	366.465	1.746	20	30		FDEDRO
C#C[C@H](NC(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1)[C@@H]1CCCO1	ZINC000773556523	963384365	/nfs/dbraw/zinc/38/43/65/963384365.db2.gz	DFJRUYULLCJOPA-OALUTQOASA-N	1	0	365.518	1.947	20	30		FDEDRO
CN(CC1CC[NH+](C)CC1)C(=O)CN(CCC#N)C(=O)OC(C)(C)C	ZINC001184854359	963722568	/nfs/dbraw/zinc/72/25/68/963722568.db2.gz	RSTVVEBQQQFBLK-UHFFFAOYSA-N	1	0	352.479	1.937	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CCC[NH2+][C@H](CC)C(N)=O)CC1CCCC1	ZINC001177423602	963824829	/nfs/dbraw/zinc/82/48/29/963824829.db2.gz	FTVMSVNTMUZDRR-KURKYZTESA-N	1	0	365.518	1.840	20	30		FDEDRO
CC#CCN1CC(O)(CN(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001177530066	963867346	/nfs/dbraw/zinc/86/73/46/963867346.db2.gz	VAXCVYTWIFBYFE-UYAOXDASSA-N	1	0	369.509	1.425	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)COCCC)C2	ZINC001110363870	963955466	/nfs/dbraw/zinc/95/54/66/963955466.db2.gz	SPSRFMLILRMTDL-ZACQAIPSSA-N	1	0	351.491	1.559	20	30		FDEDRO
O=C(C#Cc1ccccn1)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1	ZINC001177801113	963974757	/nfs/dbraw/zinc/97/47/57/963974757.db2.gz	QFVUWAMOZXXSCH-UHFFFAOYSA-N	1	0	360.377	1.090	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)CC1	ZINC000774939446	964129964	/nfs/dbraw/zinc/12/99/64/964129964.db2.gz	KDSJPIKPXFTCKD-CQSZACIVSA-N	1	0	351.397	1.716	20	30		FDEDRO
CN1C[C@H](C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1=O	ZINC001178528281	964279615	/nfs/dbraw/zinc/27/96/15/964279615.db2.gz	TUVCGZDESKHCTH-KZNAEPCWSA-N	1	0	354.454	1.635	20	30		FDEDRO
CN1C[C@@H](C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1=O	ZINC001178528271	964279792	/nfs/dbraw/zinc/27/97/92/964279792.db2.gz	TUVCGZDESKHCTH-BZSNNMDCSA-N	1	0	354.454	1.635	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H](COC)OC)C1	ZINC001186196378	964344586	/nfs/dbraw/zinc/34/45/86/964344586.db2.gz	JNKYAZIGBGGALQ-BHIYHBOVSA-N	1	0	362.445	1.642	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)C1	ZINC001186228048	964362860	/nfs/dbraw/zinc/36/28/60/964362860.db2.gz	FNRRSDGXCWBWMM-CEXWTWQISA-N	1	0	355.482	1.900	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)CC12CCOCC2	ZINC001186506064	964533956	/nfs/dbraw/zinc/53/39/56/964533956.db2.gz	XQVATWAIFXFEFE-BRWVUGGUSA-N	1	0	356.470	1.002	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCOC)C2(C1)CCOCC2	ZINC001186520971	964546156	/nfs/dbraw/zinc/54/61/56/964546156.db2.gz	BLJPEWVITJTAFE-SQNIBIBYSA-N	1	0	366.502	1.459	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@]34CC[N@H+](C3)CCC4)C2)cc1	ZINC000957567342	1013502657	/nfs/dbraw/zinc/50/26/57/1013502657.db2.gz	YWQHJHZKQCQSEN-PERKRYKHSA-N	1	0	365.477	1.731	20	30		FDEDRO
C=CCOc1ccc(/C=C/C(=O)N2CC([NH2+][C@H]3CCOC3)C2)cc1OC	ZINC001179007795	964620366	/nfs/dbraw/zinc/62/03/66/964620366.db2.gz	COLRIDAZYHDWKW-YERXGYGTSA-N	1	0	358.438	1.863	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCCO1	ZINC000773799644	964698804	/nfs/dbraw/zinc/69/88/04/964698804.db2.gz	UAPJIHJHRUOSFT-OALUTQOASA-N	1	0	369.465	1.908	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCCO1	ZINC000773799643	964698825	/nfs/dbraw/zinc/69/88/25/964698825.db2.gz	UAPJIHJHRUOSFT-MOPGFXCFSA-N	1	0	369.465	1.908	20	30		FDEDRO
C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1nc(C#N)cs1	ZINC001179378067	964853655	/nfs/dbraw/zinc/85/36/55/964853655.db2.gz	NYGMRJCKLNEXTG-LBPRGKRZSA-N	1	0	367.475	1.476	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1nc(C#N)cs1	ZINC001179378066	964854048	/nfs/dbraw/zinc/85/40/48/964854048.db2.gz	NYGMRJCKLNEXTG-GFCCVEGCSA-N	1	0	367.475	1.476	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ncc(Cl)n2C)C1	ZINC000962320620	1013528782	/nfs/dbraw/zinc/52/87/82/1013528782.db2.gz	ATZQSPHCTZOKLV-PQAZSJQKSA-N	1	0	352.866	1.649	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+][C@@H]1CCCN(C)C1=O	ZINC001179633737	964940968	/nfs/dbraw/zinc/94/09/68/964940968.db2.gz	JVGNUYYCQLLPMU-ZACQAIPSSA-N	1	0	351.491	1.465	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1cccnc1	ZINC001179661406	964941689	/nfs/dbraw/zinc/94/16/89/964941689.db2.gz	HVRYTDVGNSAYCA-YTQUADARSA-N	1	0	370.497	1.589	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCCCC[NH2+]CC(=O)NC(C)C	ZINC001179797228	964993068	/nfs/dbraw/zinc/99/30/68/964993068.db2.gz	RQTVSPDOUCWNLF-WMZOPIPTSA-N	1	0	353.507	1.758	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CSCCC)[C@@H]3C2)C1=O	ZINC001187078525	964999413	/nfs/dbraw/zinc/99/94/13/964999413.db2.gz	CAILPQSIYVBRKL-HRCADAONSA-N	1	0	351.516	1.449	20	30		FDEDRO
COc1ccc(NC(=O)[C@H](C)C#N)cc1OCCCN1CC[NH+](C)CC1	ZINC001179894018	965019271	/nfs/dbraw/zinc/01/92/71/965019271.db2.gz	HSIRJUASZCQWLV-OAHLLOKOSA-N	1	0	360.458	1.810	20	30		FDEDRO
Cc1noc(C)c1S(=O)(=O)N(CC1([NH3+])CCCCC1)C(=O)[C@@H](C)C#N	ZINC001179902717	965041313	/nfs/dbraw/zinc/04/13/13/965041313.db2.gz	RMYFYGZWEFRUBR-NSHDSACASA-N	1	0	368.459	1.630	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cc1ccc(F)cc1	ZINC001110390361	965056527	/nfs/dbraw/zinc/05/65/27/965056527.db2.gz	JZNIYRCGRLLXSF-HCXYKTFWSA-N	1	0	362.445	1.653	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCCCOC)[C@@H]2C1	ZINC001187198118	965079532	/nfs/dbraw/zinc/07/95/32/965079532.db2.gz	BCWUAEXYHDTDQG-ZWKOTPCHSA-N	1	0	363.502	1.536	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1CC[C@H]2CN(CC(=O)N(CC)C3CC3)C[C@H]21	ZINC001187225914	965100196	/nfs/dbraw/zinc/10/01/96/965100196.db2.gz	MHIRWVNDPCGQMS-SOLBZPMBSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1CC[C@H]2CN(Cc3cc4n(n3)CCC4)C[C@H]21	ZINC001187225618	965100507	/nfs/dbraw/zinc/10/05/07/965100507.db2.gz	GJLLGDSYTAFDAU-TXPKVOOTSA-N	1	0	358.486	1.843	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@H+](CCOC[C@@H]3CCCCO3)C[C@H]21	ZINC001187325617	965188234	/nfs/dbraw/zinc/18/82/34/965188234.db2.gz	AGQOPOZOPMSAJS-OKZBNKHCSA-N	1	0	352.475	1.307	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)c3cccc(OC)c3)C[C@H]21	ZINC001187326739	965192672	/nfs/dbraw/zinc/19/26/72/965192672.db2.gz	QUBPHPXOWMIIAK-UHOSZYNNSA-N	1	0	360.454	1.464	20	30		FDEDRO
COc1ccc(COCC[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)cc1	ZINC001187333620	965201668	/nfs/dbraw/zinc/20/16/68/965201668.db2.gz	DYYAAOFODFJEAK-VDZJLULYSA-N	1	0	357.454	1.904	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21	ZINC001187296406	965213079	/nfs/dbraw/zinc/21/30/79/965213079.db2.gz	NQPQCCAVXALVMI-PKOBYXMFSA-N	1	0	355.438	1.824	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(c4ccccc4)C3=O)C[C@H]21	ZINC001187320355	965242706	/nfs/dbraw/zinc/24/27/06/965242706.db2.gz	QAWCHQDUGXQOBI-QXAKKESOSA-N	1	0	369.465	1.527	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](Cc3ccccc3)OC)C[C@H]21	ZINC001187320259	965243428	/nfs/dbraw/zinc/24/34/28/965243428.db2.gz	OCXZENDHHDHHAA-SLFFLAALSA-N	1	0	358.482	1.979	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCOC3)[C@@H]2C1	ZINC001187407665	965302265	/nfs/dbraw/zinc/30/22/65/965302265.db2.gz	HYACXVWTXUNXSQ-FGTMMUONSA-N	1	0	361.486	1.146	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@H+](CCCCCn4cncn4)C[C@H]32)c1	ZINC001187465197	965376988	/nfs/dbraw/zinc/37/69/88/965376988.db2.gz	ASYLLGXCAUDLLI-FUHWJXTLSA-N	1	0	367.457	1.495	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CCOCC(F)(F)F)C[C@H]32)[nH]1	ZINC001187546748	965490174	/nfs/dbraw/zinc/49/01/74/965490174.db2.gz	NJRCVRLOPJETNU-SMDDNHRTSA-N	1	0	356.348	1.612	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C4CC4)cc3)C[C@H]21	ZINC001187591490	965509463	/nfs/dbraw/zinc/50/94/63/965509463.db2.gz	OZHFAWSXBZLDIV-VQTJNVASSA-N	1	0	365.477	1.736	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccnc(N(C)C)c3)C[C@H]21	ZINC001187755264	965717954	/nfs/dbraw/zinc/71/79/54/965717954.db2.gz	LCXCWJBHNQZPMP-QKLQHJQFSA-N	1	0	358.486	1.507	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc4c(c3)nnn4C)C[C@H]21	ZINC001187755449	965718100	/nfs/dbraw/zinc/71/81/00/965718100.db2.gz	LUEGFSUFVUQPLF-QKYXUNIQSA-N	1	0	369.469	1.328	20	30		FDEDRO
C#C[C@@H]([NH2+]CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCCO1	ZINC000796012721	1013596575	/nfs/dbraw/zinc/59/65/75/1013596575.db2.gz	UXUAHGYVYVCEDG-CVEARBPZSA-N	1	0	365.474	1.226	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1C[C@@H]2CCN(C(=O)c3n[nH]cc3C)[C@@H]2C1	ZINC001187819335	965759864	/nfs/dbraw/zinc/75/98/64/965759864.db2.gz	CZGZVNBSRSYYGC-JKSUJKDBSA-N	1	0	357.458	1.065	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2CN(CC(=O)NCCc3ccccc3)C[C@H]21	ZINC001187819621	965761077	/nfs/dbraw/zinc/76/10/77/965761077.db2.gz	GCHNUELOJHYZRT-VQTJNVASSA-N	1	0	365.477	1.291	20	30		FDEDRO
C[C@@H](C(=O)NCc1ccco1)N1C[C@@H]2CCN(C(=O)C#CC(C)(C)C)[C@@H]2C1	ZINC001187856908	965795308	/nfs/dbraw/zinc/79/53/08/965795308.db2.gz	FIQLRXOAXQULDN-XYJFISCASA-N	1	0	371.481	1.867	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)c3ccccc3F)C[C@H]21	ZINC001187858216	965799236	/nfs/dbraw/zinc/79/92/36/965799236.db2.gz	ZYUYLDWPDNDQDI-IPELMVKDSA-N	1	0	360.429	1.432	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](CCOc3ccccc3C)C[C@H]21	ZINC001187864948	965807447	/nfs/dbraw/zinc/80/74/47/965807447.db2.gz	HVSKEZGAPSCFTN-CEXWTWQISA-N	1	0	356.466	1.945	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@H+](Cc3cccc4c3OCCO4)C[C@H]21	ZINC001187874396	965870490	/nfs/dbraw/zinc/87/04/90/965870490.db2.gz	UKGJWZVHEJASNR-FUHWJXTLSA-N	1	0	370.449	1.530	20	30		FDEDRO
C=C(C)CCC(=O)N1CC[C@H]2CN([C@H](C)C(=O)Nc3ncccn3)C[C@H]21	ZINC001188081075	965996555	/nfs/dbraw/zinc/99/65/55/965996555.db2.gz	WMRHJZKXWFKTNS-OWCLPIDISA-N	1	0	357.458	1.693	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(c3)OCCCO4)[C@@H]2C1	ZINC001188205746	966122952	/nfs/dbraw/zinc/12/29/52/966122952.db2.gz	VTWQJPRUINNSPC-ZWKOTPCHSA-N	1	0	370.449	1.644	20	30		FDEDRO
C=CC[NH+](CC=C)CCN1CCN(C(=O)NCC(=O)OCCCC)CC1	ZINC001188270214	966172775	/nfs/dbraw/zinc/17/27/75/966172775.db2.gz	DMTFUSNABWGZJF-UHFFFAOYSA-N	1	0	366.506	1.331	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC(C)C)n3ccnc3)[C@@H]2C1	ZINC001188285139	966187703	/nfs/dbraw/zinc/18/77/03/966187703.db2.gz	HVXAFHZMECTTBC-IPMKNSEASA-N	1	0	358.486	1.653	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ncn(-c4ccccc4)n3)[C@@H]2C1	ZINC001188286079	966189170	/nfs/dbraw/zinc/18/91/70/966189170.db2.gz	OVEQAPQDZIGCJF-FUHWJXTLSA-N	1	0	367.453	1.616	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnc4n3CCCCC4)[C@@H]2C1	ZINC001188315231	966194256	/nfs/dbraw/zinc/19/42/56/966194256.db2.gz	SZTYRQMICJESGR-FUHWJXTLSA-N	1	0	358.486	1.958	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](O)COC)C[C@H]32)cc1	ZINC001188357086	966273977	/nfs/dbraw/zinc/27/39/77/966273977.db2.gz	ZVRCBVDGKRQKAO-YQVWRLOYSA-N	1	0	360.454	1.405	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)c1c(I)cnn1C	ZINC001188474240	966344862	/nfs/dbraw/zinc/34/48/62/966344862.db2.gz	LRXCTSJCGAJKJO-JTQLQIEISA-N	1	0	374.226	1.405	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)[C@@H]2C1	ZINC001188658373	966461025	/nfs/dbraw/zinc/46/10/25/966461025.db2.gz	HTEWTNQACGZDNN-RVKKMQEKSA-N	1	0	369.469	1.832	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(C(=O)c3cccc(CC#N)c3)CC[C@@H]2C1	ZINC001188668449	966515590	/nfs/dbraw/zinc/51/55/90/966515590.db2.gz	YXXJQDAOTIOQHJ-RTBURBONSA-N	1	0	357.454	1.562	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc2c(c1)CCC(=O)N2C	ZINC001110401903	966559267	/nfs/dbraw/zinc/55/92/67/966559267.db2.gz	QQHHLSFZFGFCDV-YUFWVBKYSA-N	1	0	366.465	1.977	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCOc3ccc(F)cc3)[C@@H]2C1	ZINC001189012036	966698897	/nfs/dbraw/zinc/69/88/97/966698897.db2.gz	IPHSNGVQOHCIEW-QFBILLFUSA-N	1	0	360.429	1.777	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3CN([C@H](C)C(=O)NCCCC)C[C@H]32)c1	ZINC001189076933	966751316	/nfs/dbraw/zinc/75/13/16/966751316.db2.gz	FIFOVXYXXIRPCM-HHXXYDBFSA-N	1	0	368.481	1.514	20	30		FDEDRO
COCC#CCN1C[C@@H]2CCN(C(=O)c3cc(-n4cccn4)ccn3)[C@@H]2C1	ZINC001189101125	966772896	/nfs/dbraw/zinc/77/28/96/966772896.db2.gz	FSLMXNYSNVAUGM-QFBILLFUSA-N	1	0	365.437	1.063	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)c1[nH]ncc1I	ZINC001189139217	966789085	/nfs/dbraw/zinc/78/90/85/966789085.db2.gz	IGOOCPCGRGEFEF-VIFPVBQESA-N	1	0	360.199	1.395	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CCC(=O)NC3CCCC3)[C@@H]2C1	ZINC001189537078	967057349	/nfs/dbraw/zinc/05/73/49/967057349.db2.gz	COLFFQYUTOXCDR-FUHWJXTLSA-N	1	0	363.502	1.561	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)COCc3nncn3C)[C@@H]2C1	ZINC001189612123	967111387	/nfs/dbraw/zinc/11/13/87/967111387.db2.gz	FMGBINJAADIMRM-DLBZAZTESA-N	1	0	363.506	1.835	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@](C#N)(c3ccccn3)C2)CC1	ZINC000852328423	967225498	/nfs/dbraw/zinc/22/54/98/967225498.db2.gz	DXCIRFIZHBUICR-NRFANRHFSA-N	1	0	369.513	1.928	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cccc(NC(C)=O)c3)[C@@H]2C1	ZINC001189906199	967365021	/nfs/dbraw/zinc/36/50/21/967365021.db2.gz	FUNHPTRRPPFVKF-AZUAARDMSA-N	1	0	369.465	1.370	20	30		FDEDRO
COCC#CCN1C[C@@H]2CCN(C(=O)c3cc4c(cn3)OCCC4)[C@@H]2C1	ZINC001189963777	967457937	/nfs/dbraw/zinc/45/79/37/967457937.db2.gz	WLDJWRXRXWOKKX-FUHWJXTLSA-N	1	0	355.438	1.203	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH+]1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1	ZINC000852600515	967458287	/nfs/dbraw/zinc/45/82/87/967458287.db2.gz	JCMMBZSTGTYWEU-HIFRSBDPSA-N	1	0	373.419	1.637	20	30		FDEDRO
CCc1ccccc1OCC(=O)N1CC[C@H]2C[N@H+](CC#CCOC)C[C@H]21	ZINC001190020260	967471201	/nfs/dbraw/zinc/47/12/01/967471201.db2.gz	YSLSCPOMAKDDHA-RBUKOAKNSA-N	1	0	356.466	1.810	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CS(=O)(=O)N(C)C)[C@@H]2C1	ZINC001189991959	967482778	/nfs/dbraw/zinc/48/27/78/967482778.db2.gz	AVOHPPWSZREAPX-JKSUJKDBSA-N	1	0	357.520	1.157	20	30		FDEDRO
C#C[C@H]([NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OC)c1)[C@@H]1CCCO1	ZINC000775341263	967519100	/nfs/dbraw/zinc/51/91/00/967519100.db2.gz	LBOMAFISUIUSMM-KBPBESRZSA-N	1	0	352.818	1.483	20	30		FDEDRO
N#Cc1cccnc1NCCNC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1	ZINC000852703112	967546294	/nfs/dbraw/zinc/54/62/94/967546294.db2.gz	MGZOHYIYDWYXHL-SFHVURJKSA-N	1	0	364.453	1.939	20	30		FDEDRO
CC(C)COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C#N)c[nH]1)C2	ZINC001110423079	967592610	/nfs/dbraw/zinc/59/26/10/967592610.db2.gz	KIKZOCVIQIZILO-HPFXQQBRSA-N	1	0	360.458	1.255	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cnc4n[nH]c(C)c4c3)[C@@H]2C1	ZINC001190177907	967629531	/nfs/dbraw/zinc/62/95/31/967629531.db2.gz	QYYUNYZTVYJWMZ-WMLDXEAASA-N	1	0	355.442	1.615	20	30		FDEDRO
COc1ccc(C2(CNC(=O)C#CC3CC[NH2+]CC3)CCOCC2)cc1	ZINC000852821534	967633167	/nfs/dbraw/zinc/63/31/67/967633167.db2.gz	RFPNBHXFOURUSI-UHFFFAOYSA-N	1	0	356.466	1.863	20	30		FDEDRO
CC(=O)c1ccc(N2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)c(F)c1	ZINC000852856833	967660767	/nfs/dbraw/zinc/66/07/67/967660767.db2.gz	GYTSFBLMWFHELW-UHFFFAOYSA-N	1	0	357.429	1.680	20	30		FDEDRO
Cc1ccc([C@@H](CNC(=O)C#CC2CC[NH2+]CC2)N2CCOCC2)cc1	ZINC000852861389	967667220	/nfs/dbraw/zinc/66/72/20/967667220.db2.gz	TZEQCCBTXGZYKX-HXUWFJFHSA-N	1	0	355.482	1.488	20	30		FDEDRO
COc1cccc([C@H](C)N2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)c1	ZINC000852866116	967671489	/nfs/dbraw/zinc/67/14/89/967671489.db2.gz	SGMGONVBEXTWFZ-KRWDZBQOSA-N	1	0	355.482	1.903	20	30		FDEDRO
CC[C@H](C)C(=O)NCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001190212906	967674220	/nfs/dbraw/zinc/67/42/20/967674220.db2.gz	NQOFEXOEEASRFP-ZYSHUDEJSA-N	1	0	368.481	1.753	20	30		FDEDRO
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C#CC1CC[NH2+]CC1	ZINC000852883146	967687167	/nfs/dbraw/zinc/68/71/67/967687167.db2.gz	BTBBHWMHMSRMDL-UHFFFAOYSA-N	1	0	364.829	1.550	20	30		FDEDRO
CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)C[NH2+]C	ZINC000852920160	967710010	/nfs/dbraw/zinc/71/00/10/967710010.db2.gz	MOGSYOCBJMKOPI-OCCSQVGLSA-N	1	0	366.487	1.008	20	30		FDEDRO
Cn1nccc1CC[N@@H+]1C[C@@H]2CCN(C(=O)CC#Cc3ccccc3)[C@@H]2C1	ZINC001190290178	967740782	/nfs/dbraw/zinc/74/07/82/967740782.db2.gz	MIIVIBNIFYHQBF-PZJWPPBQSA-N	1	0	362.477	1.937	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@H]21	ZINC001190431436	967846332	/nfs/dbraw/zinc/84/63/32/967846332.db2.gz	ZWTCZONMFBECAO-CGTJXYLNSA-N	1	0	361.486	1.265	20	30		FDEDRO
CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)c2cccc(C#N)c2F)CC1	ZINC001190537652	967936864	/nfs/dbraw/zinc/93/68/64/967936864.db2.gz	RRUURNREHBGELK-UHFFFAOYSA-N	1	0	372.444	1.856	20	30		FDEDRO
COC(=O)[C@]1(NC(=O)c2ccc(C#N)cn2)CC[N@H+](Cc2ccccc2)C1	ZINC001190597109	967973972	/nfs/dbraw/zinc/97/39/72/967973972.db2.gz	GGLNSBCZZATUDP-FQEVSTJZSA-N	1	0	364.405	1.501	20	30		FDEDRO
C#CC[C@@H]([NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1	ZINC000775400062	967979789	/nfs/dbraw/zinc/97/97/89/967979789.db2.gz	WNXVTXLMZXSTSG-LJQANCHMSA-N	1	0	363.465	1.870	20	30		FDEDRO
CC[NH+](CC)C[C@H]1CN(S(=O)(=O)c2cc(C#N)ccc2F)CCO1	ZINC001190648314	968002501	/nfs/dbraw/zinc/00/25/01/968002501.db2.gz	LBDMDMSGGHMJBJ-AWEZNQCLSA-N	1	0	355.435	1.429	20	30		FDEDRO
COCCCCN1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1	ZINC001190962969	968203432	/nfs/dbraw/zinc/20/34/32/968203432.db2.gz	WTBPIUXMWCRUNI-UHFFFAOYSA-N	1	0	371.890	1.945	20	30		FDEDRO
N#CCSCC(=O)N[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2)C[C@H]1O	ZINC001191149165	968297422	/nfs/dbraw/zinc/29/74/22/968297422.db2.gz	GOKWWWSTZVREFZ-QZTJIDSGSA-N	1	0	355.463	1.758	20	30		FDEDRO
C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@]1([NH+](C)C)CCSC1	ZINC000853821207	968348007	/nfs/dbraw/zinc/34/80/07/968348007.db2.gz	XIHTZFQDZSMBJT-QGZVFWFLSA-N	1	0	355.504	1.410	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@@H]2CCN(Cc3ccc(OC)cc3)C2=O)CC1	ZINC000853898608	968414805	/nfs/dbraw/zinc/41/48/05/968414805.db2.gz	LAKHOMCIVKZWBF-LJQANCHMSA-N	1	0	370.449	1.685	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H](C2N=NC(=S)N2CC)C1	ZINC000854094557	968587317	/nfs/dbraw/zinc/58/73/17/968587317.db2.gz	VSIKAWCGXHQGTL-AWEZNQCLSA-N	1	0	364.519	1.431	20	30		FDEDRO
COC(=O)[C@]1(NC(=O)c2ccnc(C#N)c2)CC[N@H+](Cc2ccccc2)C1	ZINC001191557630	968613003	/nfs/dbraw/zinc/61/30/03/968613003.db2.gz	FQWFZIMKYPQFOW-FQEVSTJZSA-N	1	0	364.405	1.501	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)C[C@H]1O	ZINC001191606989	968659550	/nfs/dbraw/zinc/65/95/50/968659550.db2.gz	BQZAVFILCTXEGB-CWFSZBLJSA-N	1	0	369.465	1.877	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)C[C@H]1O	ZINC001191724805	968715341	/nfs/dbraw/zinc/71/53/41/968715341.db2.gz	RIIBBXJHMCZLNW-QXAKKESOSA-N	1	0	371.481	1.276	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](CCCc2cccc(C(F)(F)F)c2)C[C@H]1O	ZINC001191863091	968792908	/nfs/dbraw/zinc/79/29/08/968792908.db2.gz	CGKJVHWCAPSXQZ-APHBMKBZSA-N	1	0	369.387	1.959	20	30		FDEDRO
C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@H](C)CS(C)(=O)=O)C2	ZINC001111714803	968886214	/nfs/dbraw/zinc/88/62/14/968886214.db2.gz	QKNHFUCLIYOFCW-LNLFQRSKSA-N	1	0	368.543	1.831	20	30		FDEDRO
C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2c2ccccc2)C1	ZINC001192794904	969301419	/nfs/dbraw/zinc/30/14/19/969301419.db2.gz	PVRQWWPXVCIFHZ-QWFCFKBJSA-N	1	0	371.481	1.394	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1O	ZINC001192925093	969383495	/nfs/dbraw/zinc/38/34/95/969383495.db2.gz	TZRRTNCXJLKHLD-KZNAEPCWSA-N	1	0	354.491	1.337	20	30		FDEDRO
N#CCS(=O)(=O)NC[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1	ZINC001192994721	969397308	/nfs/dbraw/zinc/39/73/08/969397308.db2.gz	BARMYDHLWAWRGY-LJQANCHMSA-N	1	0	373.478	1.493	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(C3CCOCC3)n2)C1	ZINC001192969749	969410312	/nfs/dbraw/zinc/41/03/12/969410312.db2.gz	VFYXOWZFVQSMCD-ZTFGCOKTSA-N	1	0	362.474	1.364	20	30		FDEDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)c1cnccc1C#N)C2	ZINC001192971565	969412104	/nfs/dbraw/zinc/41/21/04/969412104.db2.gz	RHPVOLOWQLAZMR-YLJYHZDGSA-N	1	0	354.454	1.774	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(F)(F)F)CCOCC2)C1	ZINC001193102128	969469203	/nfs/dbraw/zinc/46/92/03/969469203.db2.gz	DMOJXXREGNBIOB-MGPQQGTHSA-N	1	0	364.408	1.862	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccoc2)C1	ZINC001193173959	969502722	/nfs/dbraw/zinc/50/27/22/969502722.db2.gz	GVBYJOYOHSGSKZ-HZPDHXFCSA-N	1	0	351.447	1.141	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2c2ccccc2)C1	ZINC001193601693	969788472	/nfs/dbraw/zinc/78/84/72/969788472.db2.gz	JYNMHWUYRIGHJB-GUDVDZBRSA-N	1	0	359.470	1.019	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCC(F)(F)C3)C[C@H]2O)CCOCC1	ZINC001193727646	969818669	/nfs/dbraw/zinc/81/86/69/969818669.db2.gz	KMLYVDFKTKMCNB-ARFHVFGLSA-N	1	0	370.440	1.403	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](C[C@@H](C)CC(C)C)C[C@H]2O)CCOCC1	ZINC001193718738	969840144	/nfs/dbraw/zinc/84/01/44/969840144.db2.gz	KYJMQOWBJOSGMI-RCCFBDPRSA-N	1	0	350.503	1.650	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)oc3nc[nH]c(=O)c32)C1	ZINC001193782092	969847472	/nfs/dbraw/zinc/84/74/72/969847472.db2.gz	RZWYMCLOYSDMJL-RAIGVLPGSA-N	1	0	360.414	1.366	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc3c(c2)NC(=O)C3)C1	ZINC001193842729	969867493	/nfs/dbraw/zinc/86/74/93/969867493.db2.gz	HERNREOCGNDYRS-RTBURBONSA-N	1	0	371.481	1.631	20	30		FDEDRO
C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cc(C3CCCCC3)n[nH]2)C1	ZINC001193834752	969889086	/nfs/dbraw/zinc/88/90/86/969889086.db2.gz	DOCZLOHSWIXPHF-QZTJIDSGSA-N	1	0	362.474	1.435	20	30		FDEDRO
N#Cc1cncc(C(=O)N(c2ncccc2F)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1	ZINC001194105311	970020200	/nfs/dbraw/zinc/02/02/00/970020200.db2.gz	QBPULGCNMMPXFL-BEFAXECRSA-N	1	0	367.384	1.655	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2C[N@H+](CCCCCOC)C[C@H]2O)cc1	ZINC001194159720	970027168	/nfs/dbraw/zinc/02/71/68/970027168.db2.gz	JRBMLISYHGDIBH-RTBURBONSA-N	1	0	362.470	1.843	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c(C)nc[nH]c2=O)C1	ZINC001194399484	970157576	/nfs/dbraw/zinc/15/75/76/970157576.db2.gz	GJVSZEMYMPGKLD-IAGOWNOFSA-N	1	0	364.490	1.555	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc3c2CC(=O)N3)C1	ZINC001194408221	970160972	/nfs/dbraw/zinc/16/09/72/970160972.db2.gz	ISEVLCSPAUPELX-HZPDHXFCSA-N	1	0	358.442	1.098	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nn(C)c2Cl)C1	ZINC001194424100	970167137	/nfs/dbraw/zinc/16/71/37/970167137.db2.gz	LOIDQJOYRRUUAT-NILFDRSVSA-N	1	0	354.882	1.440	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COc2ccc(C(C)C)cc2)C1	ZINC001194461286	970177552	/nfs/dbraw/zinc/17/75/52/970177552.db2.gz	PBWUXBGCIYPNLH-RTBURBONSA-N	1	0	362.470	1.553	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)c1	ZINC000855166835	970191630	/nfs/dbraw/zinc/19/16/30/970191630.db2.gz	QRWZWHHFZBUJSD-OAHLLOKOSA-N	1	0	363.483	1.201	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CC)c3ccccc23)C1	ZINC001194523943	970230453	/nfs/dbraw/zinc/23/04/53/970230453.db2.gz	PDCQNFMZLBBYSU-IEBWSBKVSA-N	1	0	357.454	1.639	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCc2ncc(C)o2)C1	ZINC001194610535	970250441	/nfs/dbraw/zinc/25/04/41/970250441.db2.gz	BVIKVXGUYSDADF-HZPDHXFCSA-N	1	0	353.463	1.631	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1	ZINC001194632152	970278976	/nfs/dbraw/zinc/27/89/76/970278976.db2.gz	UBZOOZNHMLHUEN-OOSNJVJTSA-N	1	0	356.466	1.854	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)c(OC)c[nH]2)C1	ZINC001194672242	970310205	/nfs/dbraw/zinc/31/02/05/970310205.db2.gz	AHKUKHRSFIRXFG-GDBMZVCRSA-N	1	0	351.447	1.129	20	30		FDEDRO
Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCN(C)CCC[NH+](C)C	ZINC000855417350	970364900	/nfs/dbraw/zinc/36/49/00/970364900.db2.gz	YWMMQWSWSVURIQ-UHFFFAOYSA-N	1	0	357.458	1.864	20	30		FDEDRO
C[NH+](C)C[C@@H]1COCCN1C(=O)c1ccc(C#CBr)cc1	ZINC001194806589	970430238	/nfs/dbraw/zinc/43/02/38/970430238.db2.gz	QKJGWOMCTMYIMA-OAHLLOKOSA-N	1	0	351.244	1.793	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O	ZINC001195021087	970615887	/nfs/dbraw/zinc/61/58/87/970615887.db2.gz	QWVDCULBVGOMKH-ZHALLVOQSA-N	1	0	354.491	1.193	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC/C=C\c3ccccc3)C[C@H]2O)cn1	ZINC001197926473	972553774	/nfs/dbraw/zinc/55/37/74/972553774.db2.gz	NCDWEKYCVXPGQH-GVBKJADDSA-N	1	0	361.445	1.941	20	30		FDEDRO
COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CC(=O)NCc2cccc(C#N)c2)C1	ZINC000775811393	972627209	/nfs/dbraw/zinc/62/72/09/972627209.db2.gz	PHBPLUHMLXZQKU-WMLDXEAASA-N	1	0	358.442	1.631	20	30		FDEDRO
CCOC(=O)[C@@H]1CCCN(C(NCc2nnc3n2CCCCC3)=[NH+]C)C1	ZINC000119253392	972660161	/nfs/dbraw/zinc/66/01/61/972660161.db2.gz	XPPHMXNNWJTWJU-CQSZACIVSA-N	1	0	362.478	1.355	20	30		FDEDRO
C[NH+](C)CCCNC(=S)NN=Cc1c(O)cccc1Br	ZINC000863092910	972665283	/nfs/dbraw/zinc/66/52/83/972665283.db2.gz	PCMRQPYSASEETQ-UHFFFAOYSA-N	1	0	359.293	1.904	20	30		FDEDRO
COC(=O)N1CCC[C@H]([C@H](C)[NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000775810873	972672863	/nfs/dbraw/zinc/67/28/63/972672863.db2.gz	JUHZIFAELQIWDX-XIRDDKMYSA-N	1	0	361.442	1.754	20	30		FDEDRO
CC(=NNCC(C)(C)O)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1	ZINC000863139451	972681068	/nfs/dbraw/zinc/68/10/68/972681068.db2.gz	GHSSVXNSIQPDIM-UHFFFAOYSA-N	1	0	370.519	1.001	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000119283044	972681349	/nfs/dbraw/zinc/68/13/49/972681349.db2.gz	ORLDKARALSHFRD-AWEZNQCLSA-N	1	0	358.373	1.139	20	30		FDEDRO
CCOC(=O)[C@H](C#N)NC(=O)c1ccc(CN(C)CCC[NH+](C)C)cc1	ZINC001198035721	972714475	/nfs/dbraw/zinc/71/44/75/972714475.db2.gz	BFMULQNJANIUTK-KRWDZBQOSA-N	1	0	360.458	1.255	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H](Cc2ccccc2)C(=O)OC)CC1	ZINC000794430564	972721587	/nfs/dbraw/zinc/72/15/87/972721587.db2.gz	CJGAFWNISNRCBC-LPHOPBHVSA-N	1	0	356.466	1.868	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1	ZINC000645072992	1014058819	/nfs/dbraw/zinc/05/88/19/1014058819.db2.gz	XOCXZLOILBSDQB-FHWLQOOXSA-N	1	0	371.481	1.427	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCOCC2)C1=O	ZINC000863384613	972865124	/nfs/dbraw/zinc/86/51/24/972865124.db2.gz	VYTGBXOMWCRLHD-AWEZNQCLSA-N	1	0	353.463	1.437	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@H]2O)CCOCC1	ZINC001198239436	972927254	/nfs/dbraw/zinc/92/72/54/972927254.db2.gz	NAHDYAYPSXPABQ-HUUCEWRRSA-N	1	0	358.429	1.566	20	30		FDEDRO
Cc1ccc(CONC(N)=C2C(=[NH2+])C3(CCCC3)N(C)C2=O)cc1C#N	ZINC000863455603	972934861	/nfs/dbraw/zinc/93/48/61/972934861.db2.gz	OUUBQEORUTVPEZ-UHFFFAOYSA-N	1	0	353.426	1.863	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]C2CN(C(=O)OCc3ccccc3)C2)CCOCC1	ZINC000863556436	973013212	/nfs/dbraw/zinc/01/32/12/973013212.db2.gz	CMHOLHOAEMSFGY-SFHVURJKSA-N	1	0	373.453	1.668	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(F)(F)F)C1	ZINC000863597123	973050053	/nfs/dbraw/zinc/05/00/53/973050053.db2.gz	FNWFHNSGXIYJDC-XUXIUFHCSA-N	1	0	359.392	1.362	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)c2ccco2)C1	ZINC001198459672	973125436	/nfs/dbraw/zinc/12/54/36/973125436.db2.gz	ZUHXBXOUSIBYNY-HZPDHXFCSA-N	1	0	365.474	1.531	20	30		FDEDRO
C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)c1ccccc1OC	ZINC001198902334	973634171	/nfs/dbraw/zinc/63/41/71/973634171.db2.gz	JVAVRVBYNYBPNE-VYDXJSESSA-N	1	0	359.470	1.920	20	30		FDEDRO
C=CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)c1ccccc1	ZINC001198870850	973640040	/nfs/dbraw/zinc/64/00/40/973640040.db2.gz	QJJKXXQYHRWNDS-IPMKNSEASA-N	1	0	354.454	1.404	20	30		FDEDRO
C=C[C@H](CC(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1O)c1ccccc1	ZINC001198917131	973678103	/nfs/dbraw/zinc/67/81/03/973678103.db2.gz	FOKBLRSOIXAUAK-NSISKUIASA-N	1	0	368.481	1.484	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c(C)c(C)sc2=O)C1	ZINC001199071510	973892129	/nfs/dbraw/zinc/89/21/29/973892129.db2.gz	XQCQOUDPDYYBMX-NILFDRSVSA-N	1	0	353.488	1.043	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1O	ZINC001199081537	973903160	/nfs/dbraw/zinc/90/31/60/973903160.db2.gz	QNZABABJIJMBTM-HUUCEWRRSA-N	1	0	368.522	1.238	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](c2cccnc2)N(C)C)C1	ZINC001199164185	973973181	/nfs/dbraw/zinc/97/31/81/973973181.db2.gz	PMUQMLCIJNQBKX-QRVBRYPASA-N	1	0	362.518	1.816	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)C[NH+]2CCCC2)CC1	ZINC000967556291	1014157928	/nfs/dbraw/zinc/15/79/28/1014157928.db2.gz	OVJCEFSYEZGJFP-KSZLIROESA-N	1	0	363.502	1.513	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)C[C@H]2COCCN2C(=O)OC(C)(C)C)CC1	ZINC000796227812	1014167950	/nfs/dbraw/zinc/16/79/50/1014167950.db2.gz	UMVULOPTFBHDGL-AWEZNQCLSA-N	1	0	366.462	1.117	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](CC3CC(OCC)C3)C[C@H]2O)CCCCC1	ZINC001199277876	974160116	/nfs/dbraw/zinc/16/01/16/974160116.db2.gz	FHQHLBCVBXKBGD-CSODTCANSA-N	1	0	362.514	1.937	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)[C@@]3(C#N)CCCOC3)cc2F)CC1	ZINC000865202347	974182290	/nfs/dbraw/zinc/18/22/90/974182290.db2.gz	QJSOVOWXYSBKFU-HXUWFJFHSA-N	1	0	374.460	1.904	20	30		FDEDRO
C=C(Cl)C[C@@H]1NC(=O)N(Cc2cccnc2N2CC[NH+](C)CC2)C1=O	ZINC000865300407	974219238	/nfs/dbraw/zinc/21/92/38/974219238.db2.gz	AZTMNBOQHSYMRS-AWEZNQCLSA-N	1	0	363.849	1.396	20	30		FDEDRO
C=CCn1c(SCC(=O)NC2CC[NH+](C)CC2)nc2ccccc2c1=O	ZINC000865344395	974248262	/nfs/dbraw/zinc/24/82/62/974248262.db2.gz	IFTLMSPQYJUUKC-UHFFFAOYSA-N	1	0	372.494	1.885	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1	ZINC000120559879	974288560	/nfs/dbraw/zinc/28/85/60/974288560.db2.gz	VLRVXHYLPJDKSQ-QAPCUYQASA-N	1	0	355.438	1.580	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(F)(F)F)CCCC2)C1	ZINC001199490638	974298181	/nfs/dbraw/zinc/29/81/81/974298181.db2.gz	WRSPKZIVKFGEOG-CHWSQXEVSA-N	1	0	350.381	1.473	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O	ZINC000865481163	974320101	/nfs/dbraw/zinc/32/01/01/974320101.db2.gz	MUHSIVDZABNPFT-BEFAXECRSA-N	1	0	355.442	1.434	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)[nH]1	ZINC001199677601	974456951	/nfs/dbraw/zinc/45/69/51/974456951.db2.gz	AOMUPXBRVQMMBV-DLBZAZTESA-N	1	0	351.410	1.397	20	30		FDEDRO
Cc1cccc(CNC(=O)CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC2CC2)C3)c1	ZINC001110540546	974461689	/nfs/dbraw/zinc/46/16/89/974461689.db2.gz	XCCYGHXGHXNATN-AQNXPRMDSA-N	1	0	365.477	1.746	20	30		FDEDRO
N#C[C@@]1(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CCCOC1	ZINC000865750788	974462649	/nfs/dbraw/zinc/46/26/49/974462649.db2.gz	SMYUKQDMYZRESG-FQEVSTJZSA-N	1	0	370.453	1.771	20	30		FDEDRO
CNS(=O)(=O)c1ccc(CC[NH2+]Cc2cc(C#N)ccc2N(C)C)cc1	ZINC000865817568	974517744	/nfs/dbraw/zinc/51/77/44/974517744.db2.gz	DEYKOUFDQNJJQV-UHFFFAOYSA-N	1	0	372.494	1.865	20	30		FDEDRO
CCN(CCC#N)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)(C)C)C2	ZINC001110542801	974540616	/nfs/dbraw/zinc/54/06/16/974540616.db2.gz	AMUJUJDMYYJFBN-ZACQAIPSSA-N	1	0	358.486	1.520	20	30		FDEDRO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]CC#Cc2ccccc2Cl)CC1	ZINC001200472490	974797008	/nfs/dbraw/zinc/79/70/08/974797008.db2.gz	PKAUDAXUQXZNPN-NVXWUHKLSA-N	1	0	361.829	1.937	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2C=C)CCCO1	ZINC001200529389	974808725	/nfs/dbraw/zinc/80/87/25/974808725.db2.gz	ULBISVRSBMHKKR-KURKYZTESA-N	1	0	352.475	1.377	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCCCCOC)C1	ZINC001200529224	974808943	/nfs/dbraw/zinc/80/89/43/974808943.db2.gz	SRDUCLXTUFVULQ-OTWHNJEPSA-N	1	0	368.518	1.991	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccncc2)CCCO1	ZINC001200538309	974812688	/nfs/dbraw/zinc/81/26/88/974812688.db2.gz	YQNYSTRWMHNPNA-CEXWTWQISA-N	1	0	357.454	1.042	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CO[C@H]2CCOC2)C3)c1	ZINC001110555041	974850110	/nfs/dbraw/zinc/85/01/10/974850110.db2.gz	TXYGZMPAYUHCQR-HCXYKTFWSA-N	1	0	355.438	1.585	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)N[C@@H](C)C2CC2)CC1	ZINC001200637010	974852994	/nfs/dbraw/zinc/85/29/94/974852994.db2.gz	NYZJTYNOIXTQNC-QGTPRVQTSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2ccncc2)CC1	ZINC001200643976	974868067	/nfs/dbraw/zinc/86/80/67/974868067.db2.gz	HQTLCTSULILBLL-JCGIZDLHSA-N	1	0	356.470	1.456	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)N1CCCCC1=O)C2	ZINC001110558260	974932003	/nfs/dbraw/zinc/93/20/03/974932003.db2.gz	BEWJKCGSSWVDPC-MLHJIOFPSA-N	1	0	363.502	1.702	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C[C@](O)(c2nccn2C)C(F)(F)F)CC1	ZINC000106035481	975065070	/nfs/dbraw/zinc/06/50/70/975065070.db2.gz	ONMXXDRYHFUAJO-INIZCTEOSA-N	1	0	374.407	1.717	20	30		FDEDRO
C[C@@H]1CC[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC#Cc3ccccc3)C2)O1	ZINC001201449128	975065726	/nfs/dbraw/zinc/06/57/26/975065726.db2.gz	ZMPFIJSCMWECAC-YZGWKJHDSA-N	1	0	356.466	1.813	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CCOCC(C)C)C1	ZINC001201620513	975100095	/nfs/dbraw/zinc/10/00/95/975100095.db2.gz	FOBPERWBFSVWDP-QYZOEREBSA-N	1	0	368.518	1.847	20	30		FDEDRO
C#C[C@H](NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)[C@H]1CCCO1	ZINC000776225700	975193405	/nfs/dbraw/zinc/19/34/05/975193405.db2.gz	QMUQKWGLJIFTTN-IYWMVGAKSA-N	1	0	371.481	1.349	20	30		FDEDRO
C#C[C@H](NC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)[C@@H]1CCCO1	ZINC000776229278	975211370	/nfs/dbraw/zinc/21/13/70/975211370.db2.gz	FBBHSFOUVQQIFC-YRXWBPOGSA-N	1	0	362.518	1.367	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)NC(=O)COC)C2	ZINC001110586063	975359258	/nfs/dbraw/zinc/35/92/58/975359258.db2.gz	MKLWGZKYSCHZDQ-VQHPVUNQSA-N	1	0	353.507	1.829	20	30		FDEDRO
C#C[C@@H]1CCCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1	ZINC000847309224	975452374	/nfs/dbraw/zinc/45/23/74/975452374.db2.gz	GYJPGOLHXWGQTA-GOSISDBHSA-N	1	0	370.501	1.434	20	30		FDEDRO
C#C[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1	ZINC000847559260	975823589	/nfs/dbraw/zinc/82/35/89/975823589.db2.gz	YDYVEVFNOVOKCF-MRXNPFEDSA-N	1	0	354.454	1.249	20	30		FDEDRO
C[NH+](C)C1CCN(c2ccc(NC(=O)[C@]3(C#N)CCCOC3)nc2)CC1	ZINC000866673100	975898238	/nfs/dbraw/zinc/89/82/38/975898238.db2.gz	WLGPQXTXNKKUAO-IBGZPJMESA-N	1	0	357.458	1.871	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1	ZINC000847605536	975898988	/nfs/dbraw/zinc/89/89/88/975898988.db2.gz	CITRPYPHYXTONV-ROUUACIJSA-N	1	0	355.438	1.770	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)c1	ZINC000847617261	975923154	/nfs/dbraw/zinc/92/31/54/975923154.db2.gz	ZETAVSIQFYHYJL-GOSISDBHSA-N	1	0	355.438	1.320	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1	ZINC000866771696	976023071	/nfs/dbraw/zinc/02/30/71/976023071.db2.gz	ISZFFYPNQRPJNY-IAGOWNOFSA-N	1	0	367.446	1.604	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1	ZINC000866792315	976057028	/nfs/dbraw/zinc/05/70/28/976057028.db2.gz	YTRONZNACXOHPY-INIZCTEOSA-N	1	0	367.446	1.619	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21	ZINC000866824962	976114590	/nfs/dbraw/zinc/11/45/90/976114590.db2.gz	OOZKUGZRXDOZFR-STQMWFEESA-N	1	0	370.272	1.836	20	30		FDEDRO
CCN(CC)C(=O)C[NH+]1CCC(NC(=O)[C@H](O)c2ccc(C#N)cc2)CC1	ZINC000848063149	976295115	/nfs/dbraw/zinc/29/51/15/976295115.db2.gz	CQGAIASFNSTQAS-LJQANCHMSA-N	1	0	372.469	1.041	20	30		FDEDRO
C[NH+]1CCN(C2CCN(S(=O)(=O)Cc3cccc(C#N)c3)CC2)CC1	ZINC000867817829	976933810	/nfs/dbraw/zinc/93/38/10/976933810.db2.gz	ULTSAHCQTQAIET-UHFFFAOYSA-N	1	0	362.499	1.100	20	30		FDEDRO
C[NH+]1CCN(C2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)CC1	ZINC000867817715	976934194	/nfs/dbraw/zinc/93/41/94/976934194.db2.gz	PCQZZFGMQGSUBH-UHFFFAOYSA-N	1	0	366.462	1.098	20	30		FDEDRO
C=CCn1c2ncn(C[C@H](O)C[N@@H+](C)CCOC)c(=O)c2sc1=S	ZINC000848675146	976989840	/nfs/dbraw/zinc/98/98/40/976989840.db2.gz	SBFDCYGDGDYEHP-LLVKDONJSA-N	1	0	370.500	1.114	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCc1ccc2c(c1)C(=O)NCC2	ZINC000867979187	977162825	/nfs/dbraw/zinc/16/28/25/977162825.db2.gz	GJTRQJJTMKWZLZ-IBGZPJMESA-N	1	0	360.417	1.347	20	30		FDEDRO
N#Cc1cc(NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)ccc1F	ZINC000868118475	977300221	/nfs/dbraw/zinc/30/02/21/977300221.db2.gz	RABZZTSLBJMDPS-CFVMTHIKSA-N	1	0	359.361	1.096	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCc1ccco1	ZINC000849081945	977307286	/nfs/dbraw/zinc/30/72/86/977307286.db2.gz	QYSADHVHLLTIAZ-UHFFFAOYSA-N	1	0	366.399	1.327	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1ccc(OC(F)F)c(F)c1	ZINC000849113643	977325377	/nfs/dbraw/zinc/32/53/77/977325377.db2.gz	YIYPJFOKSPTZBH-UHFFFAOYSA-N	1	0	360.380	1.424	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1	ZINC000868268745	977424109	/nfs/dbraw/zinc/42/41/09/977424109.db2.gz	NSZSZQLBQQAIEM-AWEZNQCLSA-N	1	0	359.474	1.948	20	30		FDEDRO
C=CCn1c2ncn(C[C@@H](O)C[N@@H+](C)C(C)C)c(=O)c2sc1=S	ZINC000849323925	977427116	/nfs/dbraw/zinc/42/71/16/977427116.db2.gz	CJNXZECVKGPJDC-NSHDSACASA-N	1	0	354.501	1.876	20	30		FDEDRO
CN1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)C2)CC1	ZINC000868290886	977456808	/nfs/dbraw/zinc/45/68/08/977456808.db2.gz	VIQSPFXXNATVDP-RBUKOAKNSA-N	1	0	367.497	1.493	20	30		FDEDRO
CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)c1	ZINC000868316461	977493506	/nfs/dbraw/zinc/49/35/06/977493506.db2.gz	IZSKUOCULLRLHS-LJQANCHMSA-N	1	0	362.433	1.890	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C1	ZINC000868367984	977546665	/nfs/dbraw/zinc/54/66/65/977546665.db2.gz	ZQYHNCDYABJNEL-HNNXBMFYSA-N	1	0	359.449	1.871	20	30		FDEDRO
C#CCCN(CC(F)(F)F)C(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1	ZINC000849575934	977778635	/nfs/dbraw/zinc/77/86/35/977778635.db2.gz	BQEGSMWMUQLOKR-GJZGRUSLSA-N	1	0	356.392	1.870	20	30		FDEDRO
COc1cc(CNC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)ccc1C#N	ZINC000849597140	977813709	/nfs/dbraw/zinc/81/37/09/977813709.db2.gz	RIAKPVLUGGAYDG-ROUUACIJSA-N	1	0	367.453	1.652	20	30		FDEDRO
C#CCN(CC(=O)OC(C)(C)C)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1	ZINC000850606798	978474862	/nfs/dbraw/zinc/47/48/62/978474862.db2.gz	JAVQKHFHUHYZLS-UHFFFAOYSA-N	1	0	373.453	1.490	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1	ZINC000850649047	978554110	/nfs/dbraw/zinc/55/41/10/978554110.db2.gz	HYZRWAYSQXHPNO-UHFFFAOYSA-N	1	0	360.458	1.086	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1	ZINC000850649724	978554602	/nfs/dbraw/zinc/55/46/02/978554602.db2.gz	NLWSVRCTQCUPDE-UHFFFAOYSA-N	1	0	374.485	1.476	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1)C1CCOCC1	ZINC000850686360	978609084	/nfs/dbraw/zinc/60/90/84/978609084.db2.gz	DRPGKMHZMRMBKW-SFHVURJKSA-N	1	0	373.453	1.110	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1)C1CCOCC1	ZINC000850689095	978613538	/nfs/dbraw/zinc/61/35/38/978613538.db2.gz	KNDGRDZJXAPRDE-GOSISDBHSA-N	1	0	357.454	1.540	20	30		FDEDRO
C[NH2+]C[C@@H](C)NC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1	ZINC000850727455	978651060	/nfs/dbraw/zinc/65/10/60/978651060.db2.gz	JYNPSJKVUBOSQW-FWORZXNSSA-N	1	0	367.475	1.229	20	30		FDEDRO
C#CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CCN(c2cc(C)ncn2)CC1	ZINC001110631503	978923840	/nfs/dbraw/zinc/92/38/40/978923840.db2.gz	ZXCNKHPPTXEFHB-RBUKOAKNSA-N	1	0	369.513	1.946	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)nc1	ZINC000851654489	978985538	/nfs/dbraw/zinc/98/55/38/978985538.db2.gz	CKEJNJIEFCCDSZ-QGZVFWFLSA-N	1	0	356.474	1.786	20	30		FDEDRO
N#C[C@H]1CN(C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)CCN1C1CC1	ZINC000851673419	978992445	/nfs/dbraw/zinc/99/24/45/978992445.db2.gz	BPHDESRBFYFBBG-FHWLQOOXSA-N	1	0	371.460	1.653	20	30		FDEDRO
C=CCCN(OCc1ccccc1)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1	ZINC000851678987	978994584	/nfs/dbraw/zinc/99/45/84/978994584.db2.gz	QOSNUNWHBOCWHK-UHFFFAOYSA-N	1	0	357.414	1.860	20	30		FDEDRO
C#CCC1(O)CC[NH+](C[C@@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000880482233	979223106	/nfs/dbraw/zinc/22/31/06/979223106.db2.gz	BQHUDGZFMOHMHR-QGZVFWFLSA-N	1	0	366.502	1.845	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1CC[C@]2(C1)C[N@H+](Cc1ccccc1)C[C@@H](C)O2	ZINC000880502637	979254048	/nfs/dbraw/zinc/25/40/48/979254048.db2.gz	SLBBCNHRUGMEAP-LVCYWYKZSA-N	1	0	355.482	1.490	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@@H]3CCC[C@]34CCCO4)CC2)o1	ZINC000880505358	979256219	/nfs/dbraw/zinc/25/62/19/979256219.db2.gz	BPCALJVTFPIMEJ-APWZRJJASA-N	1	0	373.457	1.195	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1CN(C(=O)C2([NH+](C)C)CCC2)C1	ZINC000968011346	1014565677	/nfs/dbraw/zinc/56/56/77/1014565677.db2.gz	WQGCRQKUACFKPS-SJORKVTESA-N	1	0	363.502	1.511	20	30		FDEDRO
C#C[C@@](C)(CC)[NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1	ZINC000852096404	979348626	/nfs/dbraw/zinc/34/86/26/979348626.db2.gz	BGXXZSZPSCMJIB-PBHICJAKSA-N	1	0	368.524	1.655	20	30		FDEDRO
CN1c2ccccc2C(C)(C)/C1=C/C(=O)Cn1cc(CC[C@@H](O)C[NH3+])nn1	ZINC000880983282	979562005	/nfs/dbraw/zinc/56/20/05/979562005.db2.gz	LZHNSELXBCDAMN-SMLKNPDNSA-N	1	0	369.469	1.411	20	30		FDEDRO
Cc1cc(F)c(C#N)cc1NC(=O)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1	ZINC000880987827	979564618	/nfs/dbraw/zinc/56/46/18/979564618.db2.gz	PGEYRSOUXUPFAG-OAHLLOKOSA-N	1	0	373.432	1.824	20	30		FDEDRO
N#C[C@@]1(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC12CCCC2	ZINC000881625387	980024239	/nfs/dbraw/zinc/02/42/39/980024239.db2.gz	NGDBIWRTVQECSE-LJQANCHMSA-N	1	0	358.486	1.793	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)n1cnc(C#N)n1	ZINC000882398012	980621283	/nfs/dbraw/zinc/62/12/83/980621283.db2.gz	SIQPJULAMXNCRG-YOEHRIQHSA-N	1	0	365.441	1.634	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000882635954	980773241	/nfs/dbraw/zinc/77/32/41/980773241.db2.gz	LRFZJSZFLLVNGO-FQEVSTJZSA-N	1	0	355.482	1.123	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1	ZINC000857712102	981647460	/nfs/dbraw/zinc/64/74/60/981647460.db2.gz	FKHSIGANFZGCDT-UHFFFAOYSA-N	1	0	373.413	1.320	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000858155446	981871091	/nfs/dbraw/zinc/87/10/91/981871091.db2.gz	IPLBFYQDDIUGEK-IBGZPJMESA-N	1	0	372.513	1.926	20	30		FDEDRO
C=C(Br)CNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1	ZINC000883213439	982016359	/nfs/dbraw/zinc/01/63/59/982016359.db2.gz	GWPDPYQZWASERJ-UHFFFAOYSA-N	1	0	373.295	1.410	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000858434754	982048782	/nfs/dbraw/zinc/04/87/82/982048782.db2.gz	OPNAZBFJYVVKIN-QGZVFWFLSA-N	1	0	359.470	1.997	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCN(c2cccc3[nH]ccc32)CC1	ZINC000858493271	982078227	/nfs/dbraw/zinc/07/82/27/982078227.db2.gz	OIOJAZYEGZJHHO-UHFFFAOYSA-N	1	0	353.470	1.955	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)NCc1cc(Br)cnc1OC	ZINC000858494684	982079370	/nfs/dbraw/zinc/07/93/70/982079370.db2.gz	VHKXPZAUCPNSTD-UHFFFAOYSA-N	1	0	369.263	1.607	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCCN(CCN3CCOCC3)C2)cc1	ZINC000883372129	982101201	/nfs/dbraw/zinc/10/12/01/982101201.db2.gz	NGELZVCAMHWOTE-QUCCMNQESA-N	1	0	372.513	1.864	20	30		FDEDRO
C=C(C)C[C@H](CO)[NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1	ZINC000883391686	982109953	/nfs/dbraw/zinc/10/99/53/982109953.db2.gz	QAHZIDRVWXZSEO-OAHLLOKOSA-N	1	0	356.492	1.096	20	30		FDEDRO
[NH3+]CCN(CC(F)(F)F)S(=O)(=O)c1c(F)c(F)cc(F)c1F	ZINC000883471274	982177180	/nfs/dbraw/zinc/17/71/80/982177180.db2.gz	DNFINBOULDTCPW-UHFFFAOYSA-N	1	0	354.247	1.755	20	30		FDEDRO
C#CCOCCC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000132544663	982373922	/nfs/dbraw/zinc/37/39/22/982373922.db2.gz	RCNXRNRRLGVUNT-SFHVURJKSA-N	1	0	357.454	1.040	20	30		FDEDRO
C[NH+]=C(NCc1cccc(N(C)C)n1)N[C@H]1CCCN(c2cnn(C)c2)C1	ZINC000132821777	982465302	/nfs/dbraw/zinc/46/53/02/982465302.db2.gz	DMKITZBMXZOOIT-INIZCTEOSA-N	1	0	370.505	1.215	20	30		FDEDRO
CC(C)CNC(=O)C1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1	ZINC000859057147	982490160	/nfs/dbraw/zinc/49/01/60/982490160.db2.gz	BBHJZPOQRKDSEI-GOSISDBHSA-N	1	0	359.470	1.782	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H](O)CC(F)(F)F)CC1	ZINC001202559834	982557426	/nfs/dbraw/zinc/55/74/26/982557426.db2.gz	PXBZPYSCISWXSS-MJBXVCDLSA-N	1	0	350.381	1.471	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H](O)COCC(C)C)CC1	ZINC001202560056	982560313	/nfs/dbraw/zinc/56/03/13/982560313.db2.gz	ZPTRNKLZWDQHJR-KURKYZTESA-N	1	0	354.491	1.192	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(NC(=O)OC)c(C)c1	ZINC000859172395	982596552	/nfs/dbraw/zinc/59/65/52/982596552.db2.gz	NNXVYPOSBOMOSO-UHFFFAOYSA-N	1	0	353.444	1.407	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CCC2CN(C(=O)OC(C)(C)C)C2)CC1	ZINC000859256012	982651564	/nfs/dbraw/zinc/65/15/64/982651564.db2.gz	DPWNLKMEMKLYAE-UHFFFAOYSA-N	1	0	350.463	1.738	20	30		FDEDRO
COC(=O)N1CCC([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2C#N)CC1	ZINC000859259575	982653373	/nfs/dbraw/zinc/65/33/73/982653373.db2.gz	MUFMKQOPRCZBOW-RHSMWYFYSA-N	1	0	361.442	1.754	20	30		FDEDRO
COC(=O)N1CCC([C@H](C)[NH2+]C[C@H](O)COc2ccccc2C#N)CC1	ZINC000859259577	982653423	/nfs/dbraw/zinc/65/34/23/982653423.db2.gz	MUFMKQOPRCZBOW-YOEHRIQHSA-N	1	0	361.442	1.754	20	30		FDEDRO
COc1cc(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)ccc1N1CCCC1=O	ZINC000884064511	982804650	/nfs/dbraw/zinc/80/46/50/982804650.db2.gz	KLQROWKSWXEUEK-DMAKZNTKSA-N	1	0	368.437	1.900	20	30		FDEDRO
COCCn1ncc2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)cc21	ZINC000884105341	982873430	/nfs/dbraw/zinc/87/34/30/982873430.db2.gz	LQHZJEFKTCBKQR-XAUUPUKJSA-N	1	0	353.426	1.761	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NC[C@H]2CCN(c3cccc(OC)c3)C2)C1	ZINC000884116635	982893947	/nfs/dbraw/zinc/89/39/47/982893947.db2.gz	AYJWXTJAUSFKLJ-MSOLQXFVSA-N	1	0	370.497	1.918	20	30		FDEDRO
COc1cc(OC)c(CCNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c(OC)c1	ZINC000884130927	982913315	/nfs/dbraw/zinc/91/33/15/982913315.db2.gz	WGGTURZGSQOMSG-LQZXRHCMSA-N	1	0	373.453	1.510	20	30		FDEDRO
COCCN(Cc1ccc2c(c1)OCO2)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884134557	982917454	/nfs/dbraw/zinc/91/74/54/982917454.db2.gz	KKQIZLFJRNJSHD-LFDOHDQPSA-N	1	0	371.437	1.530	20	30		FDEDRO
COC(=O)N(C)Cc1ccc(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1	ZINC000884144545	982924981	/nfs/dbraw/zinc/92/49/81/982924981.db2.gz	NBUFUCCERNTHHB-XAUUPUKJSA-N	1	0	356.426	1.963	20	30		FDEDRO
C[C@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c2ccccc2N(C)C1=O	ZINC000884155304	982932672	/nfs/dbraw/zinc/93/26/72/982932672.db2.gz	ZHCCPBJFSSHXOD-UAWGMYSWSA-N	1	0	352.438	1.771	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1	ZINC000884157927	982935360	/nfs/dbraw/zinc/93/53/60/982935360.db2.gz	NIAZPTDBAJBGFE-INIZCTEOSA-N	1	0	351.491	1.600	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)CC1	ZINC000884161296	982937695	/nfs/dbraw/zinc/93/76/95/982937695.db2.gz	BTUGFMVENLRZRM-WXSAJPJJSA-N	1	0	351.491	1.909	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N(C)Cc1cccc(OC(F)(F)F)c1	ZINC000884172806	982946366	/nfs/dbraw/zinc/94/63/66/982946366.db2.gz	FAHFOGCPGYCCNK-ZDUSSCGKSA-N	1	0	360.332	1.990	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCS(=O)(=O)C3(CCCCC3)C1)C2	ZINC000884172434	982946484	/nfs/dbraw/zinc/94/64/84/982946484.db2.gz	UZWYTQGTOMYSJS-CKDBGZEDSA-N	1	0	365.499	1.086	20	30		FDEDRO
Cc1ccc([C@@H](O)CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)cc1	ZINC000133891363	982949604	/nfs/dbraw/zinc/94/96/04/982949604.db2.gz	HKLBUIHAHMNFQE-SJORKVTESA-N	1	0	374.485	1.909	20	30		FDEDRO
Cn1ccnc1[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccc(F)cc1	ZINC000884181480	982956375	/nfs/dbraw/zinc/95/63/75/982956375.db2.gz	HIKAAEOADKBHTQ-GLEGPSONSA-N	1	0	367.428	1.904	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(Cn3cncn3)cc1)C2	ZINC000884182463	982958629	/nfs/dbraw/zinc/95/86/29/982958629.db2.gz	KBVOZTGSJRZUEB-HFCFLWKCSA-N	1	0	350.426	1.082	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(N3CCCCC3)nc1)C2	ZINC000884186566	982962706	/nfs/dbraw/zinc/96/27/06/982962706.db2.gz	DGRSCZQMXXUAAG-OHTSDLOESA-N	1	0	353.470	1.827	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1cccc(CN3CCOCC3)c1)C2	ZINC000884186593	982962921	/nfs/dbraw/zinc/96/29/21/982962921.db2.gz	DTTSWIFDDXTMGR-OBXNSHGQSA-N	1	0	368.481	1.274	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)N1CCOCC1	ZINC000331991800	982973825	/nfs/dbraw/zinc/97/38/25/982973825.db2.gz	PLKVBTVJXAIZFD-QGZVFWFLSA-N	1	0	356.470	1.382	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1	ZINC000884218144	982992940	/nfs/dbraw/zinc/99/29/40/982992940.db2.gz	GQZREUBHGSWAOX-UHOSZYNNSA-N	1	0	373.497	1.945	20	30		FDEDRO
COc1cc(F)ccc1N1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1	ZINC000884221942	982995981	/nfs/dbraw/zinc/99/59/81/982995981.db2.gz	DMGZORGKVIHIGA-CHWWFWEZSA-N	1	0	372.444	1.622	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1cc(F)ccc1N1CCOCC1)C2	ZINC000884225398	982998724	/nfs/dbraw/zinc/99/87/24/982998724.db2.gz	QORWLXPHXWQZFB-LFDOHDQPSA-N	1	0	372.444	1.418	20	30		FDEDRO
CCN(C[C@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1)CC(F)(F)F	ZINC000884230224	983003772	/nfs/dbraw/zinc/00/37/72/983003772.db2.gz	MKVIFZNOGBARMX-HCEZTOJASA-N	1	0	372.435	1.858	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C	ZINC000884233100	983007735	/nfs/dbraw/zinc/00/77/35/983007735.db2.gz	IVBLGHGJWXALRF-INIZCTEOSA-N	1	0	360.458	1.132	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)[N@@H+]1CCCC[C@H]1C	ZINC000332560720	983075853	/nfs/dbraw/zinc/07/58/53/983075853.db2.gz	RDFIWBULOIRUNH-KGLIPLIRSA-N	1	0	374.489	1.827	20	30		FDEDRO
COC(=O)c1ccc2c(c1)CN(C(=O)C1CC3(C1)C[NH2+]C[C@@H]3C#N)CC2	ZINC000884318464	983080220	/nfs/dbraw/zinc/08/02/20/983080220.db2.gz	WYWQJYKQAPDKFL-GNZRSQJKSA-N	1	0	353.422	1.497	20	30		FDEDRO
COC(=O)CCN(Cc1ccncc1)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884321805	983082667	/nfs/dbraw/zinc/08/26/67/983082667.db2.gz	ZPKHPTHQEYUWEO-WUJZJPHMSA-N	1	0	356.426	1.113	20	30		FDEDRO
CC(=O)N1CC[C@@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c2ccccc21	ZINC000884326550	983088044	/nfs/dbraw/zinc/08/80/44/983088044.db2.gz	WKKMUUGEZTZPMF-KLRDNXEFSA-N	1	0	352.438	1.740	20	30		FDEDRO
C=CC[C@H]1N(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CCCC1(C)C	ZINC000332634912	983089821	/nfs/dbraw/zinc/08/98/21/983089821.db2.gz	FEZLPMWBCPSWSQ-DLBZAZTESA-N	1	0	362.518	1.086	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1	ZINC000884466938	983171899	/nfs/dbraw/zinc/17/18/99/983171899.db2.gz	KMOMQDBPNRCGNR-FQEVSTJZSA-N	1	0	369.513	1.690	20	30		FDEDRO
COc1ccc([C@H]2CN(C(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CCO2)cc1	ZINC000884471963	983174158	/nfs/dbraw/zinc/17/41/58/983174158.db2.gz	LEKMCBKZUBLRBV-URTYCYGZSA-N	1	0	355.438	1.734	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)c1ccc(C#N)cc1	ZINC000884542280	983233559	/nfs/dbraw/zinc/23/35/59/983233559.db2.gz	ZNJRWENUFLNFGA-RISCZKNCSA-N	1	0	350.369	1.096	20	30		FDEDRO
C[C@@H](C(=O)N1CCCCC1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(C#N)c1)C2	ZINC001095331483	983280289	/nfs/dbraw/zinc/28/02/89/983280289.db2.gz	RYORKMLHZLDOMY-NBMRYCAZSA-N	1	0	369.469	1.622	20	30		FDEDRO
Cc1[nH]c2ccccc2c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N	ZINC001110785089	983436883	/nfs/dbraw/zinc/43/68/83/983436883.db2.gz	DAWALMLQFOZPDQ-XYPHTWIQSA-N	1	0	365.437	1.451	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1	ZINC000861530386	983765170	/nfs/dbraw/zinc/76/51/70/983765170.db2.gz	XETCLOUZPJCANK-KDURUIRLSA-N	1	0	359.401	1.234	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)C(=O)N(C)C[C@@H](C)[NH3+]	ZINC000861544815	983772939	/nfs/dbraw/zinc/77/29/39/983772939.db2.gz	QJXPTAYMEBRUTE-SNVBAGLBSA-N	1	0	370.247	1.758	20	30		FDEDRO
C#CC[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1)C(=O)OC	ZINC000861950778	984008889	/nfs/dbraw/zinc/00/88/89/984008889.db2.gz	VERWFVJGVLRNOM-OTWHNJEPSA-N	1	0	354.450	1.826	20	30		FDEDRO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C1(c2ccc(C#N)cc2)CCCC1	ZINC000862101064	984115155	/nfs/dbraw/zinc/11/51/55/984115155.db2.gz	NLCIMWOOGGCTED-INIZCTEOSA-N	1	0	368.481	1.948	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+]C[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C	ZINC000862311894	984322856	/nfs/dbraw/zinc/32/28/56/984322856.db2.gz	VYADMAITRCPJIC-LBPRGKRZSA-N	1	0	368.446	1.822	20	30		FDEDRO
C#CCCOc1ccc(C[NH+]2CCC(n3cc(C(N)=O)nn3)CC2)cc1	ZINC000862483543	984399095	/nfs/dbraw/zinc/39/90/95/984399095.db2.gz	PVCWOKRVMWRRIS-UHFFFAOYSA-N	1	0	353.426	1.616	20	30		FDEDRO
CC(=O)NCC(=O)N1CCC[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1	ZINC000862503733	984401039	/nfs/dbraw/zinc/40/10/39/984401039.db2.gz	DCDWCVKDOKZYAY-HNNXBMFYSA-N	1	0	358.442	1.148	20	30		FDEDRO
C#CC[C@@H](COC)[NH2+]C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1	ZINC000862551065	984410506	/nfs/dbraw/zinc/41/05/06/984410506.db2.gz	QOWAKOMWEBIDJQ-CVEARBPZSA-N	1	0	367.490	1.378	20	30		FDEDRO
CCCCCCCCNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2	ZINC000884668639	984672327	/nfs/dbraw/zinc/67/23/27/984672327.db2.gz	YFNWRBRWQQPUPT-MRXNPFEDSA-N	1	0	353.507	1.738	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C(C)(C)c1cnc[nH]1	ZINC001006384996	985204598	/nfs/dbraw/zinc/20/45/98/985204598.db2.gz	WCWIPUHSSRXOIK-SUJAAXHWSA-N	1	0	372.469	1.527	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)C2(C#N)CC3(CC3)C2)C1	ZINC000869615576	985223641	/nfs/dbraw/zinc/22/36/41/985223641.db2.gz	DHHKMNKCXPIKHI-OAHLLOKOSA-N	1	0	363.458	1.087	20	30		FDEDRO
C[C@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)Cc1cccc(C#N)c1	ZINC000885845809	985692907	/nfs/dbraw/zinc/69/29/07/985692907.db2.gz	TUZDAPNFVSJOQC-HNNXBMFYSA-N	1	0	356.451	1.994	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1	ZINC000885861153	985711728	/nfs/dbraw/zinc/71/17/28/985711728.db2.gz	PEZUTMFBOBECGX-MRXNPFEDSA-N	1	0	359.426	1.315	20	30		FDEDRO
N#CC1(C[C@@H](O)CN2CC[NH+](C[C@H](O)CC3(C#N)CCC3)CC2)CCC1	ZINC000885935152	985788344	/nfs/dbraw/zinc/78/83/44/985788344.db2.gz	DEMYMWGKEMEOQV-QZTJIDSGSA-N	1	0	360.502	1.494	20	30		FDEDRO
C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1C#N)n1cncn1	ZINC001095333902	985901140	/nfs/dbraw/zinc/90/11/40/985901140.db2.gz	PIYUCOVWYRYRRH-NBMRYCAZSA-N	1	0	350.426	1.632	20	30		FDEDRO
CNC(=O)c1cc(O[C@H]2CCC[N@H+](C[C@@H](O)CC3(C#N)CCC3)C2)ccn1	ZINC000886267114	986014767	/nfs/dbraw/zinc/01/47/67/986014767.db2.gz	GEIYRHAYSRNXHJ-RDJZCZTQSA-N	1	0	372.469	1.729	20	30		FDEDRO
Cn1cc(-c2cc3c(nn2)CC[N@H+](C[C@H](O)CC2(C#N)CCC2)C3)cn1	ZINC000886293717	986041018	/nfs/dbraw/zinc/04/10/18/986041018.db2.gz	NCHUSKOPALNBDE-MRXNPFEDSA-N	1	0	352.442	1.680	20	30		FDEDRO
C#CC[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)C1	ZINC000886355136	986094820	/nfs/dbraw/zinc/09/48/20/986094820.db2.gz	CLWHBGZBUYKMQQ-QGZVFWFLSA-N	1	0	354.454	1.708	20	30		FDEDRO
C#CC[C@H]1CC[N@@H+](CC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)C1	ZINC000886360046	986097878	/nfs/dbraw/zinc/09/78/78/986097878.db2.gz	OHZBNCKTANIGFX-ZDUSSCGKSA-N	1	0	358.394	1.544	20	30		FDEDRO
C#CC[C@H]1CC[N@@H+](C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1	ZINC000886363833	986102864	/nfs/dbraw/zinc/10/28/64/986102864.db2.gz	FHMBYNHRLQEJDY-AZUAARDMSA-N	1	0	357.498	1.523	20	30		FDEDRO
CC[C@@H](C[NH+](C)C)OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000870551170	986116191	/nfs/dbraw/zinc/11/61/91/986116191.db2.gz	DPMQVUISOPQXCX-AWEZNQCLSA-N	1	0	353.444	1.376	20	30		FDEDRO
C#CC[N@H+](C[C@@H](O)CC1(O)CCC1)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886426400	986202382	/nfs/dbraw/zinc/20/23/82/986202382.db2.gz	VSTNJSZSVRVQAW-KRWDZBQOSA-N	1	0	366.502	1.987	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CC(c2cccc(OC)c2)=NO1)C1CC[NH+](C)CC1	ZINC000886577793	986377608	/nfs/dbraw/zinc/37/76/08/986377608.db2.gz	XMHBOGTYKGPCAF-IBGZPJMESA-N	1	0	355.438	1.744	20	30		FDEDRO
C#CCN(C(=O)c1cnc2c(F)cc(F)cc2c1O)C1CC[NH+](C)CC1	ZINC000886577744	986378585	/nfs/dbraw/zinc/37/85/85/986378585.db2.gz	VUBXYNLBVOGIAV-UHFFFAOYSA-N	1	0	359.376	1.976	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1CC[NH+](C)CC1	ZINC000886578799	986379602	/nfs/dbraw/zinc/37/96/02/986379602.db2.gz	MAKFBFSEROBFQW-SFHVURJKSA-N	1	0	370.409	1.644	20	30		FDEDRO
C#CCN(C(=O)c1cn(Cc2cccc(F)c2)nn1)C1CC[NH+](C)CC1	ZINC000886579605	986382544	/nfs/dbraw/zinc/38/25/44/986382544.db2.gz	ARJOINGESKDWFW-UHFFFAOYSA-N	1	0	355.417	1.635	20	30		FDEDRO
C#CCN(C(=O)c1cnn2c1[nH]c(=O)c1ccccc12)C1CC[NH+](C)CC1	ZINC000886583370	986388181	/nfs/dbraw/zinc/38/81/81/986388181.db2.gz	NSYQGPZSAACHNM-UHFFFAOYSA-N	1	0	363.421	1.345	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1)C1CC[NH+](C)CC1	ZINC000886587094	986390995	/nfs/dbraw/zinc/39/09/95/986390995.db2.gz	GPPUBZYDVFKYJU-LJQANCHMSA-N	1	0	367.493	1.900	20	30		FDEDRO
C=CCC1(O)CC[NH+]([C@@H](C)C(=O)N2CCC[C@@H](C(=O)OCC)C2)CC1	ZINC000886764021	986566846	/nfs/dbraw/zinc/56/68/46/986566846.db2.gz	JLJQJNYTCPEZGJ-JKSUJKDBSA-N	1	0	352.475	1.580	20	30		FDEDRO
C=CCC1(O)CC[NH+]([C@H](C)C(=O)NC[C@H]2COc3ccccc3O2)CC1	ZINC000886771216	986575409	/nfs/dbraw/zinc/57/54/09/986575409.db2.gz	DVZXHCCKYHKWDZ-CVEARBPZSA-N	1	0	360.454	1.734	20	30		FDEDRO
COC(=O)N[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000886860294	986659337	/nfs/dbraw/zinc/65/93/37/986659337.db2.gz	YYYHYXFLDJAHSY-NSHDSACASA-N	1	0	362.455	1.867	20	30		FDEDRO
COC(=O)CCN(CC#N)C(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1	ZINC000871344837	986912883	/nfs/dbraw/zinc/91/28/83/986912883.db2.gz	YQPXBDXTWPRENJ-GOSISDBHSA-N	1	0	357.454	1.856	20	30		FDEDRO
NC(=NOCc1nc(CC2CC2)no1)c1ccc(CN2CCOCC2)cc1	ZINC000871729296	987210075	/nfs/dbraw/zinc/21/00/75/987210075.db2.gz	JIOCRIJPRGBJOH-UHFFFAOYSA-N	1	0	371.441	1.691	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c(C#N)c1	ZINC000871805063	987250353	/nfs/dbraw/zinc/25/03/53/987250353.db2.gz	MHUWNZPMGRHXRU-GVDBMIGSSA-N	1	0	363.483	1.916	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[NH2+]CCC2(C)C)cc1	ZINC000872291426	987576982	/nfs/dbraw/zinc/57/69/82/987576982.db2.gz	KIDPDZMSFSJOLZ-UHFFFAOYSA-N	1	0	351.472	1.365	20	30		FDEDRO
Cc1c(NC(=S)NN=C2CCN(C)[C@H]2C)c(=O)n(-c2ccccc2)n1C	ZINC000872328749	987604747	/nfs/dbraw/zinc/60/47/47/987604747.db2.gz	AZIZZSSEDNWYFB-LBPRGKRZSA-N	1	0	372.498	1.851	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(c3nc(N)nc(C(F)F)n3)CC2)cc1	ZINC000872398162	987632688	/nfs/dbraw/zinc/63/26/88/987632688.db2.gz	HPEQDLJHDQJSHT-UHFFFAOYSA-N	1	0	359.384	1.975	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)N1CCC(OCC[NH+](C)C)CC1	ZINC000872455437	987677565	/nfs/dbraw/zinc/67/75/65/987677565.db2.gz	RDXICIYJJQQIDR-UHFFFAOYSA-N	1	0	351.472	1.598	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21	ZINC000872463082	987687229	/nfs/dbraw/zinc/68/72/29/987687229.db2.gz	ICROPQXTSDCCOP-IXDOHACOSA-N	1	0	363.483	1.739	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N(C)CCC[N@@H+](C)CCN(C)C)c(C#N)c1	ZINC000872488064	987712313	/nfs/dbraw/zinc/71/23/13/987712313.db2.gz	OWUXQPUTEPHNOP-UHFFFAOYSA-N	1	0	352.504	1.371	20	30		FDEDRO
N#Cc1ccc(Cl)c(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)c1	ZINC000872616226	987862184	/nfs/dbraw/zinc/86/21/84/987862184.db2.gz	BZGLNRQTSZIJEI-QWHCGFSZSA-N	1	0	355.847	1.041	20	30		FDEDRO
CN(CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O)[C@@H]1CCC[C@@H]1C#N	ZINC000872684328	987968963	/nfs/dbraw/zinc/96/89/63/987968963.db2.gz	LZAYJRKOYCHGLR-AKHDSKFASA-N	1	0	366.465	1.685	20	30		FDEDRO
CCC[NH+]1CCC(N2CCN(C(=O)Nc3ccn(CCC#N)n3)CC2)CC1	ZINC000360423517	988027498	/nfs/dbraw/zinc/02/74/98/988027498.db2.gz	KBLJUOIYUGWJKO-UHFFFAOYSA-N	1	0	373.505	1.821	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C)c(-c2nc(C)co2)c1	ZINC000293396512	988060691	/nfs/dbraw/zinc/06/06/91/988060691.db2.gz	OCVBQCSRZQIQNA-UHFFFAOYSA-N	1	0	368.437	1.968	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(-n2cccn2)c(F)c1	ZINC000293529520	988100617	/nfs/dbraw/zinc/10/06/17/988100617.db2.gz	ZTDCXNYSKWRFDB-UHFFFAOYSA-N	1	0	357.389	1.021	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)CC1	ZINC000299132482	988154602	/nfs/dbraw/zinc/15/46/02/988154602.db2.gz	FADRDTBZJQQHCX-INIZCTEOSA-N	1	0	358.438	1.425	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1	ZINC000299151176	988170630	/nfs/dbraw/zinc/17/06/30/988170630.db2.gz	NCHSCAGKMOWNNB-GOSISDBHSA-N	1	0	354.454	1.625	20	30		FDEDRO
C#C[C@H]1CC[C@H](NC(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1	ZINC000872853470	988185397	/nfs/dbraw/zinc/18/53/97/988185397.db2.gz	CFVVFPSARWBUNR-SAABIXHNSA-N	1	0	355.486	1.825	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)CC1	ZINC000365881911	988185534	/nfs/dbraw/zinc/18/55/34/988185534.db2.gz	DSGGCEIGYUFUGQ-FOIQADDNSA-N	1	0	352.438	1.590	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)C1	ZINC000360962898	988228936	/nfs/dbraw/zinc/22/89/36/988228936.db2.gz	RZDFVPKRYSHJED-WOJBJXKFSA-N	1	0	367.497	1.375	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1)[N@@H+]1CCC[C@@H](C)C1	ZINC000872890657	988245590	/nfs/dbraw/zinc/24/55/90/988245590.db2.gz	MDGBSTDJAMANKB-IAGOWNOFSA-N	1	0	370.501	1.905	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1	ZINC000365976015	988274906	/nfs/dbraw/zinc/27/49/06/988274906.db2.gz	VZRBJTLIFQZOSM-OAGGEKHMSA-N	1	0	354.458	1.260	20	30		FDEDRO
C[NH+](C)CCn1ccc(NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)n1	ZINC000361168629	988287610	/nfs/dbraw/zinc/28/76/10/988287610.db2.gz	KJFZVWDCCGTIQS-KRWDZBQOSA-N	1	0	368.441	1.922	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)cn1	ZINC000873059807	988494144	/nfs/dbraw/zinc/49/41/44/988494144.db2.gz	ZDRLUSBOEUNBDE-RBUKOAKNSA-N	1	0	368.485	1.802	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C[N@@H+]1C1CC1	ZINC000366271404	988590829	/nfs/dbraw/zinc/59/08/29/988590829.db2.gz	UKTDPWRBRZPHBE-FRFSOERESA-N	1	0	355.442	1.741	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NC3CC([NH+]4CCCCC4)C3)CC2)nc1	ZINC000366285955	988599924	/nfs/dbraw/zinc/59/99/24/988599924.db2.gz	QZNCDKWCTPWPEA-UHFFFAOYSA-N	1	0	368.485	1.802	20	30		FDEDRO
COCCN(C)c1ccc(C[NH+]2CCC(n3cnc(C#N)n3)CC2)cn1	ZINC000366289101	988601267	/nfs/dbraw/zinc/60/12/67/988601267.db2.gz	WINHXDGVTVOSAL-UHFFFAOYSA-N	1	0	355.446	1.464	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1	ZINC000366418246	988686357	/nfs/dbraw/zinc/68/63/57/988686357.db2.gz	BCRZQDQJRCIVQH-KCXAZCMYSA-N	1	0	372.400	1.055	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1	ZINC000362619591	988688376	/nfs/dbraw/zinc/68/83/76/988688376.db2.gz	CHOOLZMQJOEVHT-INIZCTEOSA-N	1	0	357.458	1.124	20	30		FDEDRO
COCC[N@H+](C)CCNC(=O)N[C@@H]1CCCN(c2ccccc2C#N)C1	ZINC000362749860	988724153	/nfs/dbraw/zinc/72/41/53/988724153.db2.gz	FSVWQQSSPZJSBG-QGZVFWFLSA-N	1	0	359.474	1.404	20	30		FDEDRO
CCOC(=O)c1cnn(C2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC2)c1	ZINC000295669599	988728365	/nfs/dbraw/zinc/72/83/65/988728365.db2.gz	RDXJGGYRRGSFQC-CQSZACIVSA-N	1	0	361.446	1.457	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000366726857	988757454	/nfs/dbraw/zinc/75/74/54/988757454.db2.gz	ZGGLJSKEDMZFTP-LPHOPBHVSA-N	1	0	364.534	1.825	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+](C)[C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)C1=O	ZINC000366881511	988832086	/nfs/dbraw/zinc/83/20/86/988832086.db2.gz	JNVIRCIYMGMZRK-HOJAQTOUSA-N	1	0	357.498	1.995	20	30		FDEDRO
C=CCN1CC[C@H]([NH+]2CCC(n3ncc(C(=O)OCC)c3C)CC2)C1=O	ZINC000367155879	988938040	/nfs/dbraw/zinc/93/80/40/988938040.db2.gz	HXNXDEZCQFUIBX-KRWDZBQOSA-N	1	0	360.458	1.792	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)cc1C#N	ZINC000873657903	988946210	/nfs/dbraw/zinc/94/62/10/988946210.db2.gz	FZEZTIRYTBWQQK-UHFFFAOYSA-N	1	0	358.442	1.744	20	30		FDEDRO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCC[C@@]23CCOC3)CC1	ZINC000367456544	988952366	/nfs/dbraw/zinc/95/23/66/988952366.db2.gz	BZJFNCLRWGWTKC-LPHOPBHVSA-N	1	0	374.510	1.712	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(C#N)c(F)cc1C	ZINC000873667865	988963197	/nfs/dbraw/zinc/96/31/97/988963197.db2.gz	LZKLTZBOSVDVPG-UHFFFAOYSA-N	1	0	350.394	1.029	20	30		FDEDRO
CCCC[C@H](ON=C(C)C)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000368293154	988987156	/nfs/dbraw/zinc/98/71/56/988987156.db2.gz	GQJGIXQSYPRESK-MSOLQXFVSA-N	1	0	368.522	1.480	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000363212284	988998086	/nfs/dbraw/zinc/99/80/86/988998086.db2.gz	MDGDWHDFRNAWFT-SCTDSRPQSA-N	1	0	357.454	1.941	20	30		FDEDRO
CCOC1CC2(C1)CC[N@H+](CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C2	ZINC000368607407	988999996	/nfs/dbraw/zinc/99/99/96/988999996.db2.gz	HTCPBUGTJNZSLH-FDYSRKEFSA-N	1	0	362.518	1.570	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@H+](C)[C@H]2CCCCNC2=O)c(OC)c1	ZINC000369032855	989021477	/nfs/dbraw/zinc/02/14/77/989021477.db2.gz	RVEXSQMKPRRPAG-IRXDYDNUSA-N	1	0	362.470	1.764	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)[N@@H+]1CCc2ccccc2C1	ZINC000369228198	989036161	/nfs/dbraw/zinc/03/61/61/989036161.db2.gz	AEUQHUQXFWOIMD-UZLBHIALSA-N	1	0	367.497	1.815	20	30		FDEDRO
C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(F)c1	ZINC000873715528	989047861	/nfs/dbraw/zinc/04/78/61/989047861.db2.gz	HRPAEAOIQXVXHJ-AWEZNQCLSA-N	1	0	362.449	1.987	20	30		FDEDRO
COC1CC[NH+](CCNC(=O)C(=O)Nc2cc(C#N)c(F)cc2C)CC1	ZINC000873757574	989129802	/nfs/dbraw/zinc/12/98/02/989129802.db2.gz	DQHCDAKLJVMOPK-UHFFFAOYSA-N	1	0	362.405	1.171	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)N2CCC(O)CC2)CC1	ZINC000369756834	989148506	/nfs/dbraw/zinc/14/85/06/989148506.db2.gz	IEFUIWCHCBOWSO-NRFANRHFSA-N	1	0	369.509	1.788	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCN(Cc2ccc(OC)cc2)C1=O	ZINC000296558991	989282848	/nfs/dbraw/zinc/28/28/48/989282848.db2.gz	WSNFEHJWMHUFMP-SFHVURJKSA-N	1	0	372.469	1.050	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[NH+]([C@H]2CCSC2)CC1	ZINC000363593562	989331482	/nfs/dbraw/zinc/33/14/82/989331482.db2.gz	ZMHWXBFATLQQAO-HNNXBMFYSA-N	1	0	374.510	1.858	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1C#N	ZINC000873858992	989339754	/nfs/dbraw/zinc/33/97/54/989339754.db2.gz	OTFKOGOLDPYJCS-MRXNPFEDSA-N	1	0	358.442	1.742	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)CC1	ZINC000370021220	989392012	/nfs/dbraw/zinc/39/20/12/989392012.db2.gz	UDLAJHRUBINVAF-KRWDZBQOSA-N	1	0	374.529	1.955	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@@H](c1cnn(C)c1)c1ccc(F)cc1	ZINC000297043775	989465745	/nfs/dbraw/zinc/46/57/45/989465745.db2.gz	WUMQFIQULACSPI-GOSISDBHSA-N	1	0	357.433	1.903	20	30		FDEDRO
C[C@@H]1CN(CC(=O)Nc2ccc(C#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000370151359	989497509	/nfs/dbraw/zinc/49/75/09/989497509.db2.gz	VOHXGWIHYZBNHX-VQIMIIECSA-N	1	0	355.486	1.455	20	30		FDEDRO
C=CCN(Cc1nc(CC(=O)NC)no1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000370167161	989510484	/nfs/dbraw/zinc/51/04/84/989510484.db2.gz	KGXMCCFLRQDDCM-QGZVFWFLSA-N	1	0	369.469	1.621	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)c1	ZINC000873972766	989553610	/nfs/dbraw/zinc/55/36/10/989553610.db2.gz	ZXZHMOGBUDXCPI-HNNXBMFYSA-N	1	0	361.442	1.151	20	30		FDEDRO
COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1	ZINC000370234987	989577058	/nfs/dbraw/zinc/57/70/58/989577058.db2.gz	BMNDVAOTVNIERP-WOJBJXKFSA-N	1	0	370.497	1.873	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC3(CC2)CC[NH+](C)CC3)n(CCC#N)n1	ZINC000874015007	989642987	/nfs/dbraw/zinc/64/29/87/989642987.db2.gz	NZALIMJVHNOMJX-UHFFFAOYSA-N	1	0	372.473	1.378	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC2(CC1)CC[NH+](C)CC2	ZINC000874015278	989643169	/nfs/dbraw/zinc/64/31/69/989643169.db2.gz	TYZZNYZKGIHRHQ-UHFFFAOYSA-N	1	0	370.453	1.840	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[N@H+](CC(C)(C)O)CC1	ZINC000370414392	989725163	/nfs/dbraw/zinc/72/51/63/989725163.db2.gz	QBEIPCHIGYAMBD-UHFFFAOYSA-N	1	0	358.442	1.110	20	30		FDEDRO
CC#CCN(C)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000297853321	989725965	/nfs/dbraw/zinc/72/59/65/989725965.db2.gz	ZRLMFOKUYQWKRV-GOSISDBHSA-N	1	0	356.470	1.549	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)Oc3ccc(C#N)cc3)C2)CC1	ZINC000370422747	989731638	/nfs/dbraw/zinc/73/16/38/989731638.db2.gz	GJYZKIFLZRHZOS-IEBWSBKVSA-N	1	0	370.497	1.952	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CC[N@@H+](CC)C2)s1	ZINC000874122926	989772258	/nfs/dbraw/zinc/77/22/58/989772258.db2.gz	FERJQOURGKENJA-ZDUSSCGKSA-N	1	0	371.528	1.213	20	30		FDEDRO
C=CCN(C(=O)[C@@H]1CC[C@@H](C(N)=O)O1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000370479058	989776812	/nfs/dbraw/zinc/77/68/12/989776812.db2.gz	YQYUUHDCFHMBLE-SQNIBIBYSA-N	1	0	357.454	1.308	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1	ZINC000874172086	989868390	/nfs/dbraw/zinc/86/83/90/989868390.db2.gz	WWKIOBCADGSIPS-GDBMZVCRSA-N	1	0	356.426	1.448	20	30		FDEDRO
C#CCC1(C(=O)N2CCN(C[C@@H]3CN(C)CCO3)C[C@@H]2C)CCCCC1	ZINC000365033209	989973120	/nfs/dbraw/zinc/97/31/20/989973120.db2.gz	NOSSLBQQUXUZHR-OALUTQOASA-N	1	0	361.530	1.824	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1	ZINC000298265141	989997359	/nfs/dbraw/zinc/99/73/59/989997359.db2.gz	WCCNTNPMWJFOPC-DOTOQJQBSA-N	1	0	359.470	1.796	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N(C)C[C@@H](C)C#N	ZINC000298589946	990181809	/nfs/dbraw/zinc/18/18/09/990181809.db2.gz	PFGQUXNBLRIQNP-FUHWJXTLSA-N	1	0	371.485	1.513	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c(F)cc1C#N	ZINC000874365299	990184219	/nfs/dbraw/zinc/18/42/19/990184219.db2.gz	DBZOHNMLTXAANZ-CABCVRRESA-N	1	0	360.389	1.340	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C	ZINC000874365723	990184331	/nfs/dbraw/zinc/18/43/31/990184331.db2.gz	DEISHZQUNKAURR-CVEARBPZSA-N	1	0	359.401	1.471	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21	ZINC000298810052	990292431	/nfs/dbraw/zinc/29/24/31/990292431.db2.gz	XQZITQNNQKHIBS-ROUUACIJSA-N	1	0	354.454	1.459	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1	ZINC000371323286	990358348	/nfs/dbraw/zinc/35/83/48/990358348.db2.gz	MLPIRYVWESAOGJ-KRWDZBQOSA-N	1	0	354.454	1.996	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc3n(n2)CCCC3)C1	ZINC000968719654	1015568268	/nfs/dbraw/zinc/56/82/68/1015568268.db2.gz	ZMBRFZAAHNXMPH-LZQZEXGQSA-N	1	0	358.486	1.891	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C	ZINC000874990984	990688456	/nfs/dbraw/zinc/68/84/56/990688456.db2.gz	XCBFGDRFTNPTAI-KBPBESRZSA-N	1	0	351.472	1.012	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000875066435	990822440	/nfs/dbraw/zinc/82/24/40/990822440.db2.gz	SIPPDMDRWCUAKK-BBWFWOEESA-N	1	0	351.491	1.015	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cn1	ZINC000875093563	990880870	/nfs/dbraw/zinc/88/08/70/990880870.db2.gz	SFSNFTXKUVJLDH-RDJZCZTQSA-N	1	0	354.458	1.412	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C	ZINC000371999640	990884059	/nfs/dbraw/zinc/88/40/59/990884059.db2.gz	QKJNUWOFPKVBLJ-OAGGEKHMSA-N	1	0	367.490	1.683	20	30		FDEDRO
C[C@H](CC[NH+](C)C)NC(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000372208093	990960976	/nfs/dbraw/zinc/96/09/76/990960976.db2.gz	AWEFXSJETNMFMC-BIENJYKASA-N	1	0	355.442	1.382	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1	ZINC000875178205	991013462	/nfs/dbraw/zinc/01/34/62/991013462.db2.gz	LGLFUJCJMWWODW-RDJZCZTQSA-N	1	0	359.470	1.387	20	30		FDEDRO
Cn1ccnc1C[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000372384496	991066698	/nfs/dbraw/zinc/06/66/98/991066698.db2.gz	RDGRKMYHUOWUHA-GOSISDBHSA-N	1	0	351.454	1.863	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1	ZINC000875286274	991261731	/nfs/dbraw/zinc/26/17/31/991261731.db2.gz	HIEPEXIXELIJGC-AOCRQIFASA-N	1	0	363.502	1.444	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000875306912	991291745	/nfs/dbraw/zinc/29/17/45/991291745.db2.gz	GUMGXPZISMZPTP-YESZJQIVSA-N	1	0	363.502	1.300	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)ccc1F	ZINC000372649716	991297508	/nfs/dbraw/zinc/29/75/08/991297508.db2.gz	CRYZBVOGLAZHHG-HZPDHXFCSA-N	1	0	374.416	1.084	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N2CC[N@H+](C)C(C)(C)CC2)cc1C#N	ZINC000875342650	991357271	/nfs/dbraw/zinc/35/72/71/991357271.db2.gz	NVGWYPCSMGAZOG-UHFFFAOYSA-N	1	0	358.442	1.126	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000410481623	991458935	/nfs/dbraw/zinc/45/89/35/991458935.db2.gz	GNBJQLJMEZMXSE-SFHVURJKSA-N	1	0	365.518	1.762	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1	ZINC000372810801	991552152	/nfs/dbraw/zinc/55/21/52/991552152.db2.gz	WUNSGXNLKVHZTD-MNEFBYGVSA-N	1	0	360.433	1.742	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1	ZINC000372810800	991552738	/nfs/dbraw/zinc/55/27/38/991552738.db2.gz	WUNSGXNLKVHZTD-LZQZEXGQSA-N	1	0	360.433	1.742	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1	ZINC000372834181	991577634	/nfs/dbraw/zinc/57/76/34/991577634.db2.gz	BKRBRKVLLQBBLU-GOSISDBHSA-N	1	0	360.458	1.609	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1	ZINC000875504890	991662766	/nfs/dbraw/zinc/66/27/66/991662766.db2.gz	ILACYZPGOTWPLD-ZDUSSCGKSA-N	1	0	358.280	1.534	20	30		FDEDRO
C[NH+](C)CCOCCNC(=O)N1CCN(c2ccc(F)cc2C#N)CC1	ZINC000875523957	991698579	/nfs/dbraw/zinc/69/85/79/991698579.db2.gz	OARADIRTLFAFNP-UHFFFAOYSA-N	1	0	363.437	1.107	20	30		FDEDRO
N#Cc1ncccc1S(=O)(=O)NC[C@H]1CCCN(Cc2cccnc2)C1	ZINC000372998992	991762176	/nfs/dbraw/zinc/76/21/76/991762176.db2.gz	REZWGCCYLDRMFQ-MRXNPFEDSA-N	1	0	371.466	1.539	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1	ZINC000875598124	991783996	/nfs/dbraw/zinc/78/39/96/991783996.db2.gz	RBZYWJNKTHRKJE-WMZOPIPTSA-N	1	0	363.502	1.444	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000875602005	991790674	/nfs/dbraw/zinc/79/06/74/991790674.db2.gz	XCJUSXRJEDRXJD-BHIYHBOVSA-N	1	0	371.481	1.025	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1	ZINC000875607480	991797902	/nfs/dbraw/zinc/79/79/02/991797902.db2.gz	JTZWMBTYPCHCCY-SFHVURJKSA-N	1	0	359.470	1.251	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(c3ccc(C)o3)C(=O)C2)CC1	ZINC000373355762	992180774	/nfs/dbraw/zinc/18/07/74/992180774.db2.gz	XCFRXRKVSLGEPV-UHFFFAOYSA-N	1	0	360.458	1.987	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1	ZINC000875925266	992198303	/nfs/dbraw/zinc/19/83/03/992198303.db2.gz	ONZYIOSKPVYQNM-QGZVFWFLSA-N	1	0	350.507	1.225	20	30		FDEDRO
N#CCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C[C@@H]3CCCc4ccccc43)C2)C1	ZINC000373836485	992475488	/nfs/dbraw/zinc/47/54/88/992475488.db2.gz	LWDKOUAXFSCMPC-ZWKOTPCHSA-N	1	0	353.466	1.915	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1	ZINC000373837854	992476686	/nfs/dbraw/zinc/47/66/86/992476686.db2.gz	AJLYBKNRFUWGGV-OTWHNJEPSA-N	1	0	364.534	1.778	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1	ZINC000373867779	992492813	/nfs/dbraw/zinc/49/28/13/992492813.db2.gz	BNIIKALOSJODHV-VXNCWWDNSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CC[C@]1(C(=O)NC[C@@](C)(O)C[NH+](C)C)CCCN1C(=O)OC(C)(C)C	ZINC000373920209	992518548	/nfs/dbraw/zinc/51/85/48/992518548.db2.gz	JMJPJFJBPRGCMQ-RTBURBONSA-N	1	0	367.490	1.208	20	30		FDEDRO
C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC(C)(C)CC#N)cc1F	ZINC000411639627	992530365	/nfs/dbraw/zinc/53/03/65/992530365.db2.gz	FUHFNMKNEGAMEU-UHFFFAOYSA-N	1	0	364.421	1.761	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1	ZINC000411662586	992539905	/nfs/dbraw/zinc/53/99/05/992539905.db2.gz	BUOHRDFXDPGHFN-CQSZACIVSA-N	1	0	358.442	1.744	20	30		FDEDRO
CSC1([C@H](C#N)N(C)C(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)CC1	ZINC000876458011	992618128	/nfs/dbraw/zinc/61/81/28/992618128.db2.gz	MHXPITUBELEEIZ-PMPSAXMXSA-N	1	0	361.515	1.702	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](CC(=O)OC)c1ccc(OC)c(OC)c1	ZINC000876569431	992711144	/nfs/dbraw/zinc/71/11/44/992711144.db2.gz	STSWUYLZNOWOKE-STQMWFEESA-N	1	0	370.833	1.894	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)cc1	ZINC000411932236	992715731	/nfs/dbraw/zinc/71/57/31/992715731.db2.gz	IPHJQGIRJTXWPS-MRXNPFEDSA-N	1	0	372.469	1.742	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1	ZINC000876583872	992721024	/nfs/dbraw/zinc/72/10/24/992721024.db2.gz	SZSWSTVZBWWHGM-OAHLLOKOSA-N	1	0	351.834	1.496	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1	ZINC000876594564	992728660	/nfs/dbraw/zinc/72/86/60/992728660.db2.gz	XIISCPBURTYGOS-GFCCVEGCSA-N	1	0	351.255	1.700	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1	ZINC000876644853	992766351	/nfs/dbraw/zinc/76/63/51/992766351.db2.gz	CHMYKQSWRLFTCL-GFCCVEGCSA-N	1	0	361.826	1.774	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cccc(OCC#N)c2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000374314710	992768573	/nfs/dbraw/zinc/76/85/73/992768573.db2.gz	DIBPGEIUDNMYEB-XLIONFOSSA-N	1	0	370.497	1.616	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH+]2CCC3(CCO3)CC2)CC1	ZINC000374377983	992797410	/nfs/dbraw/zinc/79/74/10/992797410.db2.gz	PINMVWXAJFREHR-MRXNPFEDSA-N	1	0	374.510	1.712	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](c1ccc(C)cc1)N1CCOCC1	ZINC000876733425	992847699	/nfs/dbraw/zinc/84/76/99/992847699.db2.gz	XSMNRVYYDDGPOV-DLBZAZTESA-N	1	0	351.878	1.954	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCc1nccn1CC(F)(F)F	ZINC000876752836	992872522	/nfs/dbraw/zinc/87/25/22/992872522.db2.gz	APFKANFUUGUMDC-OAHLLOKOSA-N	1	0	363.343	1.820	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1	ZINC000876769769	992892864	/nfs/dbraw/zinc/89/28/64/992892864.db2.gz	ZOMHLQZRYPCOIM-HUUCEWRRSA-N	1	0	351.882	1.178	20	30		FDEDRO
C=CCC[C@@H](O)C[NH+]1CCN([C@H]2CCCN(C3CCOCC3)C2=O)CC1	ZINC000374822655	992951036	/nfs/dbraw/zinc/95/10/36/992951036.db2.gz	SUZVKEOXPPKYRH-MOPGFXCFSA-N	1	0	365.518	1.101	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H](c1ccc(OC)cc1)C1CCOCC1	ZINC000374988347	992977822	/nfs/dbraw/zinc/97/78/22/992977822.db2.gz	NUXQKLWBZCRVOP-GOSISDBHSA-N	1	0	361.442	1.764	20	30		FDEDRO
Cc1ccc(N2CCO[C@H]3C[N@H+](Cc4ccc(OCC#N)cc4)C[C@H]32)nn1	ZINC001137116914	993063042	/nfs/dbraw/zinc/06/30/42/993063042.db2.gz	VGLDKVDXXSDLQP-MOPGFXCFSA-N	1	0	365.437	1.777	20	30		FDEDRO
C=C(Cl)C[C@H](NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)C(=O)OCC	ZINC000877144353	993068783	/nfs/dbraw/zinc/06/87/83/993068783.db2.gz	LAIMYPQTCGXPMT-RYUDHWBXSA-N	1	0	355.826	1.007	20	30		FDEDRO
C=C(Cl)C[C@H](NC(=O)[C@H]([NH3+])Cc1cccc(OC)c1)C(=O)OCC	ZINC000877144145	993069136	/nfs/dbraw/zinc/06/91/36/993069136.db2.gz	IDZWVRVZWGFPRM-CABCVRRESA-N	1	0	354.834	1.756	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@@H]3COC[C@]3(CC(=O)NCC3CC3)C2)cc1	ZINC001137118441	993202823	/nfs/dbraw/zinc/20/28/23/993202823.db2.gz	XUMGSXCKQXDBAY-NQIIRXRSSA-N	1	0	369.465	1.954	20	30		FDEDRO
COC(=O)c1cn([C@H]2CCC[N@H+](Cc3cc(C#N)ccc3N(C)C)C2)nn1	ZINC000877366622	993251459	/nfs/dbraw/zinc/25/14/59/993251459.db2.gz	XALWZDMGRNKJOA-INIZCTEOSA-N	1	0	368.441	1.839	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC(=O)NC1CC1	ZINC000968861114	1015771763	/nfs/dbraw/zinc/77/17/63/1015771763.db2.gz	GLUXZOUMQZVDMN-KSZLIROESA-N	1	0	363.502	1.607	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O	ZINC001095534955	993292594	/nfs/dbraw/zinc/29/25/94/993292594.db2.gz	PBGNFXOPSODFCR-PMPSAXMXSA-N	1	0	370.453	1.158	20	30		FDEDRO
C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1OCCO[C@@H]1c1ccccc1)C2	ZINC001095562167	993499041	/nfs/dbraw/zinc/49/90/41/993499041.db2.gz	ONLMJVXEFNGNQR-LCWAXJCOSA-N	1	0	354.450	1.888	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)CN1CCCCS1(=O)=O)C(C)C	ZINC000878190773	993774592	/nfs/dbraw/zinc/77/45/92/993774592.db2.gz	PWYQSMVUOZZRAC-MRXNPFEDSA-N	1	0	357.520	1.227	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCC[C@H](C(N)=O)C1	ZINC000469318775	993825545	/nfs/dbraw/zinc/82/55/45/993825545.db2.gz	OVFQLXZKPOFDNZ-ZWKOTPCHSA-N	1	0	356.470	1.740	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](O)C1	ZINC000968902892	1015832939	/nfs/dbraw/zinc/83/29/39/1015832939.db2.gz	ABMMBABWZULWKH-SJORKVTESA-N	1	0	359.470	1.262	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)c3ccc(C[NH+](C)C)cc3)[C@@H](O)C2)C1	ZINC000968903311	1015833589	/nfs/dbraw/zinc/83/35/89/1015833589.db2.gz	KQSXNZFJHIWJTD-MSOLQXFVSA-N	1	0	371.481	1.406	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C	ZINC000470821114	994137165	/nfs/dbraw/zinc/13/71/65/994137165.db2.gz	FIDBGXKHOKZXDZ-WMZOPIPTSA-N	1	0	365.497	1.689	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1	ZINC000470820038	994137192	/nfs/dbraw/zinc/13/71/92/994137192.db2.gz	HSJDZZCNIOHQNO-HOTGVXAUSA-N	1	0	362.453	1.083	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)CC1	ZINC000923916194	994264914	/nfs/dbraw/zinc/26/49/14/994264914.db2.gz	MLIKZFNGZZEUOL-KOMQPUFPSA-N	1	0	364.490	1.687	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NCCCCCN2CC[NH2+]CC2)c(C#N)c1	ZINC000923679540	994324400	/nfs/dbraw/zinc/32/44/00/994324400.db2.gz	HFXUWVOQPGYOMU-UHFFFAOYSA-N	1	0	350.488	1.221	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CN1CCCC1=O	ZINC001110891056	994562433	/nfs/dbraw/zinc/56/24/33/994562433.db2.gz	QSVBYMXVGBINHC-VQHPVUNQSA-N	1	0	363.502	1.294	20	30		FDEDRO
Cc1ccc(C#N)cc1C(=O)OCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1	ZINC000924398298	994618559	/nfs/dbraw/zinc/61/85/59/994618559.db2.gz	WRUMNJVNTIQJHG-QGZVFWFLSA-N	1	0	373.453	1.497	20	30		FDEDRO
CNC(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000879332880	994780194	/nfs/dbraw/zinc/78/01/94/994780194.db2.gz	MBSDBULFNBBZBH-IAGOWNOFSA-N	1	0	360.458	1.276	20	30		FDEDRO
C=CCCC[C@H]1NC(=O)N(CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1=O	ZINC000924572806	994841643	/nfs/dbraw/zinc/84/16/43/994841643.db2.gz	FJDJNJMVIKTIBL-HUUCEWRRSA-N	1	0	350.463	1.206	20	30		FDEDRO
C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)CCc1cccc(C#N)c1	ZINC000879432697	994909300	/nfs/dbraw/zinc/90/93/00/994909300.db2.gz	FKDSXAVXTFXNJK-UHFFFAOYSA-N	1	0	356.348	1.811	20	30		FDEDRO
COc1cccc([C@H]2CN(C[C@@H](O)COc3ccccc3C#N)CC[NH2+]2)c1	ZINC000879523112	994975989	/nfs/dbraw/zinc/97/59/89/994975989.db2.gz	UCEUZMVCIUPVEY-UYAOXDASSA-N	1	0	367.449	1.953	20	30		FDEDRO
CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccc(C#N)cc3)CC2)C1	ZINC000879585662	995051039	/nfs/dbraw/zinc/05/10/39/995051039.db2.gz	NBQOVCIWJCCQIN-KRWDZBQOSA-N	1	0	362.499	1.352	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(C(F)(F)F)nc2)CC1	ZINC000880102349	995639322	/nfs/dbraw/zinc/63/93/22/995639322.db2.gz	XZWCAJNVPUHVMX-ZDUSSCGKSA-N	1	0	354.376	1.528	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1	ZINC000968964496	1015960102	/nfs/dbraw/zinc/96/01/02/1015960102.db2.gz	GDBCWZZUAIUKFS-RBSFLKMASA-N	1	0	352.866	1.831	20	30		FDEDRO
CN(C(=O)CN1CCC[C@H]([NH2+]C2CCOCC2)C1)C1(C#N)CCCCC1	ZINC000880211097	995723643	/nfs/dbraw/zinc/72/36/43/995723643.db2.gz	IHAXMJVWWUWKES-SFHVURJKSA-N	1	0	362.518	1.904	20	30		FDEDRO
Cc1c(C(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)cnn1CCC#N	ZINC000926180646	995963153	/nfs/dbraw/zinc/96/31/53/995963153.db2.gz	QERZZGQWURKSNE-VXNCWWDNSA-N	1	0	359.474	1.315	20	30		FDEDRO
N#Cc1ccc(Cn2cc(NC(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)cn2)cc1	ZINC000926187578	995967801	/nfs/dbraw/zinc/96/78/01/995967801.db2.gz	OGUAKESLPGZEMZ-DLBZAZTESA-N	1	0	350.426	1.876	20	30		FDEDRO
N#CCc1cccc(NC(=O)NCc2ccc(CN3CC[NH2+]CC3)cc2)n1	ZINC000926191021	995970840	/nfs/dbraw/zinc/97/08/40/995970840.db2.gz	ZOXVCDXJSCZWHB-UHFFFAOYSA-N	1	0	364.453	1.875	20	30		FDEDRO
CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)CNc3ccc(C#N)cc3)C2)[C@H]1C(C)C	ZINC000926258951	996003790	/nfs/dbraw/zinc/00/37/90/996003790.db2.gz	YPSXHRUMYRXFEQ-VURPSTOHSA-N	1	0	370.497	1.956	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1	ZINC000926343457	996071248	/nfs/dbraw/zinc/07/12/48/996071248.db2.gz	SBHAPWXOWFREKS-INIZCTEOSA-N	1	0	351.491	1.548	20	30		FDEDRO
N#Cc1ccccc1N1CCC([NH2+][C@H]2C(=O)NCC23CCOCC3)CC1	ZINC000926786779	996302978	/nfs/dbraw/zinc/30/29/78/996302978.db2.gz	SDVADIMTBDXASR-SFHVURJKSA-N	1	0	354.454	1.412	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1cnnn1C)C2	ZINC000965424634	1016059365	/nfs/dbraw/zinc/05/93/65/1016059365.db2.gz	NOXJFMUSQOISIJ-FQLGJLQJSA-N	1	0	359.474	1.313	20	30		FDEDRO
C#CCC1([NH2+]C[C@@H](O)COc2ccc(C(C)=O)cc2OC)CCOCC1	ZINC000887127772	996956238	/nfs/dbraw/zinc/95/62/38/996956238.db2.gz	YALJWEZLPKSOGL-QGZVFWFLSA-N	1	0	361.438	1.800	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCCNC(=O)OC(C)(C)C)cc1OC	ZINC000264063592	997392896	/nfs/dbraw/zinc/39/28/96/997392896.db2.gz	DMGRMJZNXPJVDT-UHFFFAOYSA-N	1	0	366.462	1.675	20	30		FDEDRO
CC[C@H](C)NC(=[NH2+])NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1	ZINC000264068786	997395266	/nfs/dbraw/zinc/39/52/66/997395266.db2.gz	CNUPBUXMUPCPIJ-HOCLYGCPSA-N	1	0	362.474	1.563	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCc2nnc3n2CCCCC3)cc1OC	ZINC000264072380	997395791	/nfs/dbraw/zinc/39/57/91/997395791.db2.gz	GNMUTLGHGRTVKI-UHFFFAOYSA-N	1	0	358.446	1.626	20	30		FDEDRO
COCCOc1ccccc1CNC(=[NH2+])N1CCN(c2ncccn2)CC1	ZINC000264087920	997399413	/nfs/dbraw/zinc/39/94/13/997399413.db2.gz	JZEBAMNEWUQGCU-UHFFFAOYSA-N	1	0	370.457	1.139	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCC(=O)N(C)CCc2ccccn2)CC1	ZINC000264397507	997494594	/nfs/dbraw/zinc/49/45/94/997494594.db2.gz	PEZKEDVSVQGPOE-UHFFFAOYSA-N	1	0	373.501	1.422	20	30		FDEDRO
C[NH+](C)[C@H]1CCCN(CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1	ZINC000264766478	997599717	/nfs/dbraw/zinc/59/97/17/997599717.db2.gz	ZRBKZVOUJFBYSJ-ZFWWWQNUSA-N	1	0	353.426	1.538	20	30		FDEDRO
C[C@]1(C#N)CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)CCO1	ZINC000887692354	997657144	/nfs/dbraw/zinc/65/71/44/997657144.db2.gz	LEJPPEVUJUBIEU-SESVDKBCSA-N	1	0	369.465	1.666	20	30		FDEDRO
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1	ZINC000887738650	997714241	/nfs/dbraw/zinc/71/42/41/997714241.db2.gz	FECUCMKXNFZOQE-GOSISDBHSA-N	1	0	357.454	1.817	20	30		FDEDRO
C#CCN(C(=O)NC[C@H](C)[NH+](C)C)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000889180950	998191181	/nfs/dbraw/zinc/19/11/81/998191181.db2.gz	NVOFEQCHEODNQR-HNNXBMFYSA-N	1	0	366.506	1.981	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCC1(c2ccccc2)CCOCC1	ZINC000104173704	998314270	/nfs/dbraw/zinc/31/42/70/998314270.db2.gz	SNZAIGQUYAMDJB-UHFFFAOYSA-N	1	0	360.502	1.361	20	30		FDEDRO
[NH2+]=C(NCC(=O)NC1CCCCC1)N1CCN(c2ccc(F)cc2)CC1	ZINC000104182906	998315680	/nfs/dbraw/zinc/31/56/80/998315680.db2.gz	XDFINQPDLNRSSE-UHFFFAOYSA-N	1	0	361.465	1.711	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC[N@@H+]1C	ZINC000889449931	998357785	/nfs/dbraw/zinc/35/77/85/998357785.db2.gz	BJKKPISMUDJMCU-KKUMJFAQSA-N	1	0	350.463	1.688	20	30		FDEDRO
N#Cc1ccc(CSCC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cc1	ZINC000889773761	998640269	/nfs/dbraw/zinc/64/02/69/998640269.db2.gz	DKISSQAYBDMNER-MSOLQXFVSA-N	1	0	359.495	1.849	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cc1OC	ZINC000889782530	998655711	/nfs/dbraw/zinc/65/57/11/998655711.db2.gz	RQLVVVGZMMPDRU-IRXDYDNUSA-N	1	0	360.454	1.931	20	30		FDEDRO
C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(CC#N)n2)C1	ZINC000889976503	998755048	/nfs/dbraw/zinc/75/50/48/998755048.db2.gz	FNISAAGEGGFGSI-OAHLLOKOSA-N	1	0	355.442	1.276	20	30		FDEDRO
C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2ccc(C3CC3)c(C#N)c2)CCSC1	ZINC000889981753	998758101	/nfs/dbraw/zinc/75/81/01/998758101.db2.gz	JLSDPFSMCZNQMP-LJQANCHMSA-N	1	0	372.494	1.928	20	30		FDEDRO
CSc1ccc(CNC(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)cc1C#N	ZINC000890447602	998947266	/nfs/dbraw/zinc/94/72/66/998947266.db2.gz	HKNJEBQQDSQTPZ-KBPBESRZSA-N	1	0	362.499	1.877	20	30		FDEDRO
Cn1ccc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC#Cc2ccc(F)cc2)n1	ZINC001095402964	998981729	/nfs/dbraw/zinc/98/17/29/998981729.db2.gz	KVBCRYPDJVNIJG-AABGKKOBSA-N	1	0	366.440	1.875	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Cc1ccccc1CC#N	ZINC000777381432	999050190	/nfs/dbraw/zinc/05/01/90/999050190.db2.gz	YEDMKWMQNDYMEF-SFHVURJKSA-N	1	0	356.470	1.354	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3cncn3)nc1)C2	ZINC001110876790	999096857	/nfs/dbraw/zinc/09/68/57/999096857.db2.gz	UGKUFUVQSBUCKC-ZACQAIPSSA-N	1	0	368.441	1.200	20	30		FDEDRO
CN1CCN(C(=O)CCNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)CC1	ZINC000266976870	999281191	/nfs/dbraw/zinc/28/11/91/999281191.db2.gz	JWCPCHGWAVQOPY-UHFFFAOYSA-N	1	0	371.407	1.274	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccc(F)c(COC)c2)CC1	ZINC000267393970	999325460	/nfs/dbraw/zinc/32/54/60/999325460.db2.gz	DSOQLKIXDYBUME-UHFFFAOYSA-N	1	0	366.437	1.997	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCc3cn4ccccc4n3)=[NH+]C[C@H]2C1	ZINC000268073893	999424076	/nfs/dbraw/zinc/42/40/76/999424076.db2.gz	LNEQMGWAGKPSNE-HNNXBMFYSA-N	1	0	370.457	1.715	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(OCC#N)c2)C1	ZINC000268694788	999449653	/nfs/dbraw/zinc/44/96/53/999449653.db2.gz	QMWCMTDQRKUAKD-HNNXBMFYSA-N	1	0	358.442	1.622	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1	ZINC000269045683	999462774	/nfs/dbraw/zinc/46/27/74/999462774.db2.gz	YHVWGUIMFLPRPI-WMLDXEAASA-N	1	0	373.428	1.719	20	30		FDEDRO
C[N@@H+]1CC[C@H](NC(=O)CCNC(=O)C2N=CC=CC2=O)[C@H]1c1ccccc1	ZINC000270658080	999594093	/nfs/dbraw/zinc/59/40/93/999594093.db2.gz	NVXMKEFIKAZJGB-CQMUMHJZSA-N	1	0	368.437	1.465	20	30		FDEDRO
CC[N@H+](CCC(=O)N(C)CCC#N)CC(=O)Nc1ccc2c(c1)OCCO2	ZINC000270693693	999600070	/nfs/dbraw/zinc/60/00/70/999600070.db2.gz	YGXDMFGMCGLAJB-UHFFFAOYSA-N	1	0	374.441	1.480	20	30		FDEDRO
Cc1nc(C(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)ccc1C#N	ZINC000270904879	999631709	/nfs/dbraw/zinc/63/17/09/999631709.db2.gz	NDMDKUQWHYDLQD-UHFFFAOYSA-N	1	0	355.486	1.892	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)nn1CCC#N	ZINC000271005626	999648467	/nfs/dbraw/zinc/64/84/67/999648467.db2.gz	IGASXBBFGUKWNW-DZGCQCFKSA-N	1	0	360.462	1.280	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)nn1CCC#N	ZINC000271031026	999650930	/nfs/dbraw/zinc/65/09/30/999650930.db2.gz	OVPYUDADDDYKLH-MRXNPFEDSA-N	1	0	368.441	1.463	20	30		FDEDRO
C=CCCC(=O)NCCCN1CC[NH+](CCCNC(=O)CCC=C)CC1	ZINC000271219334	999675633	/nfs/dbraw/zinc/67/56/33/999675633.db2.gz	ZQBVREKAMUSOIA-UHFFFAOYSA-N	1	0	364.534	1.549	20	30		FDEDRO
C[C@@](O)(CNC(=[NH2+])N1CCN(c2ncccn2)CC1)c1cccc(Cl)c1	ZINC000274044748	999735580	/nfs/dbraw/zinc/73/55/80/999735580.db2.gz	DYDFEBOEIDYTJA-GOSISDBHSA-N	1	0	374.876	1.474	20	30		FDEDRO
C[C@@](O)(CNC(=[NH2+])N1CCN(c2ncccn2)CC1)c1ccccc1Cl	ZINC000274079143	999735952	/nfs/dbraw/zinc/73/59/52/999735952.db2.gz	MTUKABLLEGNQBA-GOSISDBHSA-N	1	0	374.876	1.474	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)CC1	ZINC000283121228	999740424	/nfs/dbraw/zinc/74/04/24/999740424.db2.gz	CAEXUCWZNRVIKC-UHFFFAOYSA-N	1	0	368.481	1.983	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCC[C@H](COC)C1)C(C)C	ZINC000284075725	999775974	/nfs/dbraw/zinc/77/59/74/999775974.db2.gz	ODMYYERMGMGKEV-ROUUACIJSA-N	1	0	365.518	1.686	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)c1	ZINC000284866906	999875608	/nfs/dbraw/zinc/87/56/08/999875608.db2.gz	PPPGEBIHFYIEKI-PMACEKPBSA-N	1	0	370.497	1.955	20	30		FDEDRO
COC(=O)C1CC[NH+](CCCNc2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1	ZINC000286025115	999931926	/nfs/dbraw/zinc/93/19/26/999931926.db2.gz	GDEARHVFHFVXSW-UHFFFAOYSA-N	1	0	361.402	1.736	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NC1CC[NH+](CC=C)CC1	ZINC000286420015	999944356	/nfs/dbraw/zinc/94/43/56/999944356.db2.gz	FSSBOEJTWAMWKR-UHFFFAOYSA-N	1	0	366.465	1.839	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCC2(c3ccccc3OC)CC2)CC1	ZINC000286472136	999944733	/nfs/dbraw/zinc/94/47/33/999944733.db2.gz	URTLAOXOBIPXPO-UHFFFAOYSA-N	1	0	371.481	1.610	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000286658899	999945682	/nfs/dbraw/zinc/94/56/82/999945682.db2.gz	DZJFYWKLFFPDMF-CTNGQTDRSA-N	1	0	357.498	1.732	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@H]1CC[N@@H+](CCOC)C1	ZINC000286708002	999946911	/nfs/dbraw/zinc/94/69/11/999946911.db2.gz	ULUCEUCXYPJDRJ-SFHVURJKSA-N	1	0	359.470	1.081	20	30		FDEDRO
C=CCC[C@@H](NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)c1ccccc1	ZINC000286800357	999950892	/nfs/dbraw/zinc/95/08/92/999950892.db2.gz	AMYPDFQIXNHHDQ-ZWKOTPCHSA-N	1	0	358.486	1.172	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CCO)Cc2ccc(C)cc2)CC1	ZINC000286820072	999951320	/nfs/dbraw/zinc/95/13/20/999951320.db2.gz	WHCKPSUVABJOFV-UHFFFAOYSA-N	1	0	373.497	1.473	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000288216652	999997711	/nfs/dbraw/zinc/99/77/11/999997711.db2.gz	PBVSRRFAIRENGP-IEBWSBKVSA-N	1	0	373.497	1.722	20	30		FDEDRO
C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000288346669	1000009876	/nfs/dbraw/zinc/00/98/76/1000009876.db2.gz	YYXJSXRIRJIXGB-RHSMWYFYSA-N	1	0	352.438	1.533	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1	ZINC000288416747	1000015575	/nfs/dbraw/zinc/01/55/75/1000015575.db2.gz	XFHXKOXFPXAYGN-AEFFLSMTSA-N	1	0	359.470	1.475	20	30		FDEDRO
C[NH+](C)CCCOc1cnccc1CNS(=O)(=O)c1ccccc1C#N	ZINC000288612155	1000032012	/nfs/dbraw/zinc/03/20/12/1000032012.db2.gz	LCBNRGLNLPXOIU-UHFFFAOYSA-N	1	0	374.466	1.762	20	30		FDEDRO
COc1nnccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000288854279	1000052968	/nfs/dbraw/zinc/05/29/68/1000052968.db2.gz	IWORSKKSHVSMPG-UHFFFAOYSA-N	1	0	354.414	1.953	20	30		FDEDRO
C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC000288887408	1000056214	/nfs/dbraw/zinc/05/62/14/1000056214.db2.gz	GJZSULPVCPNADY-GDBMZVCRSA-N	1	0	356.426	1.613	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1	ZINC000289382076	1000095133	/nfs/dbraw/zinc/09/51/33/1000095133.db2.gz	KPAAWKWZQVCXDP-UHFFFAOYSA-N	1	0	373.497	1.818	20	30		FDEDRO
C#CCOc1ccccc1C[NH2+]C[C@@H]1CCCC[C@@H]1NS(C)(=O)=O	ZINC000796486765	1016388667	/nfs/dbraw/zinc/38/86/67/1016388667.db2.gz	QBMXZJIFCHWWBH-RDJZCZTQSA-N	1	0	350.484	1.896	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12	ZINC000290805943	1000160314	/nfs/dbraw/zinc/16/03/14/1000160314.db2.gz	VFTQGUTWBOKRSE-IPMKNSEASA-N	1	0	357.454	1.500	20	30		FDEDRO
C#CC[C@H]1NC(=O)N(C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)C1=O	ZINC000927726402	1000999548	/nfs/dbraw/zinc/99/95/48/1000999548.db2.gz	ZWXSKXGLCBIEGO-GOSISDBHSA-N	1	0	368.437	1.553	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N(C)C3CCC([NH3+])CC3)cc21	ZINC000927798115	1001056359	/nfs/dbraw/zinc/05/63/59/1001056359.db2.gz	SSMSRXCNGGSJPY-UHFFFAOYSA-N	1	0	355.442	1.889	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC[C@@H]1C[NH3+]	ZINC000927894052	1001196847	/nfs/dbraw/zinc/19/68/47/1001196847.db2.gz	JYPOYALXRUONAG-GHMZBOCLSA-N	1	0	368.359	1.959	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2c(Br)nc3n2CCOC3)CC1	ZINC000928647891	1001605714	/nfs/dbraw/zinc/60/57/14/1001605714.db2.gz	ASILGCFVUOXMNT-UHFFFAOYSA-N	1	0	367.247	1.003	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H](COC(C)C)NC(=O)OC(C)(C)C)CC1	ZINC000928648547	1001606092	/nfs/dbraw/zinc/60/60/92/1001606092.db2.gz	MSHHBHUAQPELSH-INIZCTEOSA-N	1	0	367.490	1.519	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1	ZINC000928657193	1001612472	/nfs/dbraw/zinc/61/24/72/1001612472.db2.gz	RGPNMCAXALKYOF-UHFFFAOYSA-N	1	0	353.382	1.608	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)CC1	ZINC000928658511	1001614060	/nfs/dbraw/zinc/61/40/60/1001614060.db2.gz	VKBBINXLZJGOLW-OAHLLOKOSA-N	1	0	351.516	1.538	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccccc3OC)C2)CC1	ZINC000928659711	1001615355	/nfs/dbraw/zinc/61/53/55/1001615355.db2.gz	YMKDOZUOIMOQOF-OAHLLOKOSA-N	1	0	355.438	1.262	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CNC(=O)Cc2cccc3ccccc32)CC1	ZINC000928661285	1001615978	/nfs/dbraw/zinc/61/59/78/1001615978.db2.gz	PJYBQIZWCTZZHM-UHFFFAOYSA-N	1	0	363.461	1.712	20	30		FDEDRO
C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC#N)C(F)(F)F	ZINC000928800869	1001672174	/nfs/dbraw/zinc/67/21/74/1001672174.db2.gz	QUNNUOFQHXAYHX-VHSXEESVSA-N	1	0	352.357	1.402	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1ccc(COCC)cc1)C1CC[NH+](C)CC1	ZINC000929393299	1001994412	/nfs/dbraw/zinc/99/44/12/1001994412.db2.gz	HMUYSZWMKJBRLE-UHFFFAOYSA-N	1	0	371.481	1.395	20	30		FDEDRO
COC(=O)c1ccc(N2CCCC2)c(NC(=O)NCC#CC[NH+](C)C)c1	ZINC000929486815	1002112608	/nfs/dbraw/zinc/11/26/08/1002112608.db2.gz	YUNLTQADYVKCIG-UHFFFAOYSA-N	1	0	358.442	1.760	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1	ZINC000948477241	1002385997	/nfs/dbraw/zinc/38/59/97/1002385997.db2.gz	WQJKCYVHBLQTDL-MLHJIOFPSA-N	1	0	363.502	1.415	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1	ZINC000948570448	1002458971	/nfs/dbraw/zinc/45/89/71/1002458971.db2.gz	PZIIZLPBSUVOLQ-CZUORRHYSA-N	1	0	357.458	1.337	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)cc1	ZINC000929878407	1002548864	/nfs/dbraw/zinc/54/88/64/1002548864.db2.gz	WGFIJPHTNGLWKB-INIZCTEOSA-N	1	0	363.483	1.258	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCCc1ccc(CC)cc1)C1CC[NH+](C)CC1	ZINC000929884089	1002556700	/nfs/dbraw/zinc/55/67/00/1002556700.db2.gz	RHGHXGJYPLTOTF-UHFFFAOYSA-N	1	0	355.482	1.464	20	30		FDEDRO
CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1	ZINC000948779170	1002671353	/nfs/dbraw/zinc/67/13/53/1002671353.db2.gz	KGIAFLXZQOWCQG-OTWHNJEPSA-N	1	0	371.456	1.612	20	30		FDEDRO
C#Cc1ccc(NC(=O)CCN2CCN(c3nc(N)ns3)CC2)cc1	ZINC000930022190	1002743868	/nfs/dbraw/zinc/74/38/68/1002743868.db2.gz	GSAFTMUJHCIKOZ-UHFFFAOYSA-N	1	0	356.455	1.252	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1	ZINC000948848389	1002755358	/nfs/dbraw/zinc/75/53/58/1002755358.db2.gz	BDMYISXTRPNVEU-CMKODMSKSA-N	1	0	368.481	1.547	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C(=O)N(C)C)c1)C2	ZINC001111285254	1002773768	/nfs/dbraw/zinc/77/37/68/1002773768.db2.gz	HXTPJWRYJMBGKU-QRVBRYPASA-N	1	0	371.481	1.926	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC(CNC(=O)c3ccc(C#N)[nH]3)CC2)CC[N@@H+]1C	ZINC000949010439	1002928483	/nfs/dbraw/zinc/92/84/83/1002928483.db2.gz	DHNQSEHTYGRIND-FUHWJXTLSA-N	1	0	371.485	1.585	20	30		FDEDRO
CC(C)[C@H]([NH2+]Cc1cncc(C#N)c1)C(=O)N(C)Cc1nnc2n1CCC2	ZINC000930277068	1002989725	/nfs/dbraw/zinc/98/97/25/1002989725.db2.gz	AOBZHKBHAYUIHH-SFHVURJKSA-N	1	0	367.457	1.264	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC000949506281	1003418017	/nfs/dbraw/zinc/41/80/17/1003418017.db2.gz	GSOUMLIMUOKQFT-DDBAPUKQSA-N	1	0	363.502	1.273	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C3C=CC=CC=C3)C[C@H]2C)CC1	ZINC000949645564	1003563645	/nfs/dbraw/zinc/56/36/45/1003563645.db2.gz	QQADKCNALUVWSP-YLJYHZDGSA-N	1	0	367.493	1.593	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H](CC=C)Cc1ccccc1)C1CC[NH+](C)CC1	ZINC000930863035	1003601308	/nfs/dbraw/zinc/60/13/08/1003601308.db2.gz	UBTHDXUBSGUZOY-IBGZPJMESA-N	1	0	367.493	1.846	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2cc3c(cc2OC)CCC(=O)N3)CC1	ZINC000930868222	1003607414	/nfs/dbraw/zinc/60/74/14/1003607414.db2.gz	GINOIOKQUZTPAT-UHFFFAOYSA-N	1	0	356.426	1.799	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000652187645	1016817072	/nfs/dbraw/zinc/81/70/72/1016817072.db2.gz	RBGXDSXFAJVYLO-ICUGJSFKSA-N	1	0	351.491	1.896	20	30		FDEDRO
CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1)[NH+]1CCCC1	ZINC000949890395	1003782015	/nfs/dbraw/zinc/78/20/15/1003782015.db2.gz	UUOYBPKGCVUIAZ-ZTFGCOKTSA-N	1	0	371.485	1.583	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Nc1cc(C(C)(C)C)nn1-c1ncccn1	ZINC000931048076	1003814517	/nfs/dbraw/zinc/81/45/17/1003814517.db2.gz	BMZKYUXQYUZIKJ-UHFFFAOYSA-N	1	0	355.446	1.646	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000931101080	1003884942	/nfs/dbraw/zinc/88/49/42/1003884942.db2.gz	AZOPVKBJEQSDOX-JKSUJKDBSA-N	1	0	351.491	1.153	20	30		FDEDRO
C#CC1(O)CC[NH+](C[C@@]2(O)CCCN(C(=O)OCc3ccccc3)C2)CC1	ZINC000931153424	1003927745	/nfs/dbraw/zinc/92/77/45/1003927745.db2.gz	GOKMBCZTCSDIHM-NRFANRHFSA-N	1	0	372.465	1.610	20	30		FDEDRO
COc1cncc(N2CC[NH+](C[C@@H](O)CC3(C#N)CCOCC3)CC2)c1	ZINC000931212892	1003965196	/nfs/dbraw/zinc/96/51/96/1003965196.db2.gz	XPTDXMLJTQAXEJ-KRWDZBQOSA-N	1	0	360.458	1.284	20	30		FDEDRO
COc1c(C)[nH]cc(C[N@H+](C)C[C@H](O)COc2ccccc2C#N)c1=O	ZINC000931325357	1004057889	/nfs/dbraw/zinc/05/78/89/1004057889.db2.gz	CUCJXLDIFBPFBN-INIZCTEOSA-N	1	0	357.410	1.435	20	30		FDEDRO
COc1ccccc1C[C@@](C)(CO)[NH2+]CC(=O)NCc1cccc(C#N)c1	ZINC000931603498	1004307396	/nfs/dbraw/zinc/30/73/96/1004307396.db2.gz	QSENJGHBINUSAM-NRFANRHFSA-N	1	0	367.449	1.766	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Nc1nc2cc(Br)ccn2n1	ZINC000931646968	1004363954	/nfs/dbraw/zinc/36/39/54/1004363954.db2.gz	BRHWDBXEGXMRNA-UHFFFAOYSA-N	1	0	351.208	1.178	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccc(F)c(S(C)(=O)=O)c2)CC1	ZINC000931648735	1004366911	/nfs/dbraw/zinc/36/69/11/1004366911.db2.gz	UCGCYNDKXONBCQ-UHFFFAOYSA-N	1	0	353.419	1.448	20	30		FDEDRO
C=CCC1(O)CC[NH+](C[C@@H](O)CC2(O)CCC(C(=O)OCC)CC2)CC1	ZINC000931750343	1004473041	/nfs/dbraw/zinc/47/30/41/1004473041.db2.gz	HGKDIZYSYGNJKC-GNZRSQJKSA-N	1	0	369.502	1.625	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)Nc1nc2c(s1)CC[C@@H](C(=O)OC)C2	ZINC000931774209	1004485829	/nfs/dbraw/zinc/48/58/29/1004485829.db2.gz	XEGDORGZCYCMKX-GFCCVEGCSA-N	1	0	364.471	1.498	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(N3CCCC3)ncn1)C2	ZINC001111022226	1004682876	/nfs/dbraw/zinc/68/28/76/1004682876.db2.gz	MCRIIYPSJIGUMV-NUJGCVRESA-N	1	0	371.485	1.615	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2	ZINC001111028255	1004852396	/nfs/dbraw/zinc/85/23/96/1004852396.db2.gz	PUJXKHYWYRKIQC-HZMVEIRTSA-N	1	0	362.518	1.131	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCCN(C(=O)C#CC3CC3)C2)CC[N@@H+]1C	ZINC000966782981	1016920412	/nfs/dbraw/zinc/92/04/12/1016920412.db2.gz	YVNFGLVKIVZUND-CEXWTWQISA-N	1	0	359.514	1.827	20	30		FDEDRO
CCO[C@H](CNC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)C[NH+](C)C	ZINC000932471556	1004975865	/nfs/dbraw/zinc/97/58/65/1004975865.db2.gz	XDSSHHQBZIEOHM-WMLDXEAASA-N	1	0	360.458	1.161	20	30		FDEDRO
C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1C[N@@H+](C)CCN1C	ZINC000932525819	1005000586	/nfs/dbraw/zinc/00/05/86/1005000586.db2.gz	HGYNBDAOLUHCAX-JKSUJKDBSA-N	1	0	368.522	1.598	20	30		FDEDRO
O=C1NCC[C@@H]1[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F	ZINC000932943336	1005260642	/nfs/dbraw/zinc/26/06/42/1005260642.db2.gz	UCWXZZVQDNAWEK-XVMARJQXSA-N	1	0	352.225	1.978	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)Nc1ccc2cnn(CC(=O)OC)c2c1	ZINC000933038398	1005323719	/nfs/dbraw/zinc/32/37/19/1005323719.db2.gz	CVNIQLITKCUKIL-UHFFFAOYSA-N	1	0	357.414	1.286	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)CCO3)cc1	ZINC000933057223	1005336739	/nfs/dbraw/zinc/33/67/39/1005336739.db2.gz	XZDFAAPVVRUVKQ-MSOLQXFVSA-N	1	0	360.454	1.498	20	30		FDEDRO
CCC1(CC)CNC(=O)[C@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000933289599	1005533869	/nfs/dbraw/zinc/53/38/69/1005533869.db2.gz	QBJFWZXBTLWVEA-IAGOWNOFSA-N	1	0	354.454	1.948	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C)c2ccc3c(c2)CCO3)CC1	ZINC000933489296	1005568914	/nfs/dbraw/zinc/56/89/14/1005568914.db2.gz	ZVRHWDQIRTVGAD-APWZRJJASA-N	1	0	370.497	1.964	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[NH+]1CCC(CN2CCNC2=O)CC1	ZINC000933587652	1005584403	/nfs/dbraw/zinc/58/44/03/1005584403.db2.gz	BNHCHEWBGZEXBO-UHFFFAOYSA-N	1	0	358.442	1.683	20	30		FDEDRO
Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCO[C@](C)(C#N)C3)CC2)cc1	ZINC000933596822	1005586801	/nfs/dbraw/zinc/58/68/01/1005586801.db2.gz	HTLXCTTVFRONFI-OAQYLSRUSA-N	1	0	370.497	1.644	20	30		FDEDRO
COC(=O)Cn1cc(CC[NH+]2CCC(c3ccc(C#N)cc3)CC2)nn1	ZINC000933611012	1005588750	/nfs/dbraw/zinc/58/87/50/1005588750.db2.gz	OZVBIRHUCIJGJA-UHFFFAOYSA-N	1	0	353.426	1.745	20	30		FDEDRO
C[N@H+](CCC(=O)N1CCN(c2ncccn2)CC1)Cc1cc(C#N)cs1	ZINC000933776477	1005633491	/nfs/dbraw/zinc/63/34/91/1005633491.db2.gz	ZRUOUZDWLFCIEH-UHFFFAOYSA-N	1	0	370.482	1.580	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1	ZINC000933844751	1005646826	/nfs/dbraw/zinc/64/68/26/1005646826.db2.gz	FJJDPNHQEXDIIW-UHFFFAOYSA-N	1	0	368.481	1.921	20	30		FDEDRO
Cc1nn(-c2ccccc2)c(CN2CCN(C)CC[N@@H+](C)CC2)c1C#N	ZINC000933992944	1005674082	/nfs/dbraw/zinc/67/40/82/1005674082.db2.gz	QEWRAZVKCVWVLY-UHFFFAOYSA-N	1	0	352.486	1.732	20	30		FDEDRO
CO[C@@H]1CC[C@H]1[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000934115154	1005695218	/nfs/dbraw/zinc/69/52/18/1005695218.db2.gz	FKGUXKLJCAKQQH-OWCLPIDISA-N	1	0	362.499	1.566	20	30		FDEDRO
N#Cc1ccc(NC(=O)CN2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cc1Cl	ZINC000934258995	1005723572	/nfs/dbraw/zinc/72/35/72/1005723572.db2.gz	CVBZIWBBVBLDBV-IAGOWNOFSA-N	1	0	362.861	1.681	20	30		FDEDRO
C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000934466748	1005749243	/nfs/dbraw/zinc/74/92/43/1005749243.db2.gz	MFHJTPRGSGPQJV-UKRRQHHQSA-N	1	0	351.472	1.032	20	30		FDEDRO
C=CCCC[N@@H+](CC)CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C	ZINC000934648640	1005771265	/nfs/dbraw/zinc/77/12/65/1005771265.db2.gz	SLBIEPPXTSUFML-CQSZACIVSA-N	1	0	365.499	1.900	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(CN=[S@@](C)(=O)N(C)C)CC1	ZINC000934749263	1005791200	/nfs/dbraw/zinc/79/12/00/1005791200.db2.gz	CVHGWZCBXDXVOE-PUAOIOHZSA-N	1	0	370.563	1.862	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N	ZINC000935379082	1005901906	/nfs/dbraw/zinc/90/19/06/1005901906.db2.gz	IVTHPLFRISLGPA-RBSFLKMASA-N	1	0	350.463	1.734	20	30		FDEDRO
N#CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2[C@@H]4COC[C@@H]42)C3)cc1	ZINC001095881330	1006104190	/nfs/dbraw/zinc/10/41/90/1006104190.db2.gz	CIWHUNGOZWIEJS-QIXFSGBHSA-N	1	0	367.449	1.703	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC(CC1)C3(C)C)C2	ZINC001111114456	1006268098	/nfs/dbraw/zinc/26/80/98/1006268098.db2.gz	YOVNLCKWQUZMAN-QXMOTKHISA-N	1	0	357.498	1.674	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@]12CCOc1ccccc12	ZINC001114556384	1006403504	/nfs/dbraw/zinc/40/35/04/1006403504.db2.gz	UHLVVBFJIVTLFG-WQBAXJEUSA-N	1	0	366.461	1.423	20	30		FDEDRO
COCCS(=O)(=O)CCCO[NH+]=Cc1ccc(N2CCOCC2)cc1	ZINC000778589120	1006522923	/nfs/dbraw/zinc/52/29/23/1006522923.db2.gz	LHGFMHYMIKIJIV-UHFFFAOYSA-N	1	0	370.471	1.325	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@@H](C)Cc2c[nH]cn2)C1	ZINC000954394408	1006690882	/nfs/dbraw/zinc/69/08/82/1006690882.db2.gz	JQLJSRZONRWEFC-JQFCIGGWSA-N	1	0	360.458	1.239	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)CC2CC[NH+](C)CC2)C1	ZINC000954394550	1006692153	/nfs/dbraw/zinc/69/21/53/1006692153.db2.gz	MDOFTKLJOXRBNS-HKUYNNGSSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(N3CCOCC3)CCC1)C2	ZINC001111201569	1006846046	/nfs/dbraw/zinc/84/60/46/1006846046.db2.gz	IWGWPQLPWUSJLY-KURKYZTESA-N	1	0	363.502	1.165	20	30		FDEDRO
CC#CCNCc1cn(CC(=O)NC[C@@H](c2ccccc2)C(C)C)nn1	ZINC000640969758	1006857813	/nfs/dbraw/zinc/85/78/13/1006857813.db2.gz	XVZDJXLCIOAYKF-LJQANCHMSA-N	1	0	353.470	1.947	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000954774192	1007017666	/nfs/dbraw/zinc/01/76/66/1007017666.db2.gz	ZTNHJCJEVWYCGN-SJORKVTESA-N	1	0	354.410	1.208	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(C)C(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000954884061	1007077492	/nfs/dbraw/zinc/07/74/92/1007077492.db2.gz	YJOZDCMZJUKOGP-ROUUACIJSA-N	1	0	368.437	1.598	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCCCN(C)c2nc(Cl)c(C#N)s2)CC[N@@H+]1C	ZINC001095757612	1007257852	/nfs/dbraw/zinc/25/78/52/1007257852.db2.gz	SXINJFHKLBZKLS-GHMZBOCLSA-N	1	0	355.895	1.951	20	30		FDEDRO
CN1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)C1=O	ZINC001095889053	1007378700	/nfs/dbraw/zinc/37/87/00/1007378700.db2.gz	LVIYQSQQEGTUNK-BDXSIMOUSA-N	1	0	352.438	1.258	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1	ZINC000955366660	1007393971	/nfs/dbraw/zinc/39/39/71/1007393971.db2.gz	VVERRFSUTUZGOV-JQHSSLGASA-N	1	0	363.502	1.225	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@](C)(NC(=O)[C@@H]3C[C@H]3C3CCC3)C2)CC1	ZINC000957007966	1007505296	/nfs/dbraw/zinc/50/52/96/1007505296.db2.gz	KKBNLDLGFKKIMH-JQVVWYNYSA-N	1	0	371.525	1.875	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CCCN2C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)nc1	ZINC000956038653	1007807365	/nfs/dbraw/zinc/80/73/65/1007807365.db2.gz	QCIIPTWLPUQOTN-JENIJYKNSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2CNC(=O)[C@@H]2C[C@H]2C2CCC2)CC1	ZINC000956052746	1007828102	/nfs/dbraw/zinc/82/81/02/1007828102.db2.gz	VLIOXXLQOMTZIE-SLFFLAALSA-N	1	0	371.525	1.875	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1	ZINC000956078139	1007860679	/nfs/dbraw/zinc/86/06/79/1007860679.db2.gz	GNMAIYSTUCTLRV-BZSNNMDCSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)NC[C@@H](C)[NH3+]	ZINC000642907696	1007938096	/nfs/dbraw/zinc/93/80/96/1007938096.db2.gz	FTOBBZAONQPLQC-SNVBAGLBSA-N	1	0	372.238	1.566	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C)(NC(=O)C23CC[NH+](CC2)C3)CC1	ZINC000956426696	1008138056	/nfs/dbraw/zinc/13/80/56/1008138056.db2.gz	NFKRPQHAQJYQIM-CVEARBPZSA-N	1	0	361.486	1.171	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1	ZINC000949952088	1008556303	/nfs/dbraw/zinc/55/63/03/1008556303.db2.gz	ZTSBLTONCPODRD-QGPMSJSTSA-N	1	0	371.485	1.726	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)cc1	ZINC000646484147	1008821958	/nfs/dbraw/zinc/82/19/58/1008821958.db2.gz	NNIJKKYTUYDCGV-BBRMVZONSA-N	1	0	351.472	1.316	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1	ZINC000950243397	1008941237	/nfs/dbraw/zinc/94/12/37/1008941237.db2.gz	BXRCGJCHQZHJAU-HHXXYDBFSA-N	1	0	371.481	1.922	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1	ZINC000649181614	1008965482	/nfs/dbraw/zinc/96/54/82/1008965482.db2.gz	FAKVUJMXMNAJIG-QGZVFWFLSA-N	1	0	354.454	1.616	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1	ZINC000646953876	1009330714	/nfs/dbraw/zinc/33/07/14/1009330714.db2.gz	JQGAKZRZVVCBDO-LJQANCHMSA-N	1	0	371.481	1.544	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1	ZINC000646954220	1009332378	/nfs/dbraw/zinc/33/23/78/1009332378.db2.gz	VXFVNXSVCHTXDK-SFHVURJKSA-N	1	0	357.454	1.154	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2cccc(C#N)c2)O1	ZINC000960042619	1009373364	/nfs/dbraw/zinc/37/33/64/1009373364.db2.gz	IDTUDJDNGLWQDQ-LSTHTHJFSA-N	1	0	370.497	1.748	20	30		FDEDRO
N#Cc1cccc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2CC[C@@H](C(N)=O)C2)c1	ZINC000960130132	1009559909	/nfs/dbraw/zinc/55/99/09/1009559909.db2.gz	FQHQOCJLMKJBEZ-QYZOEREBSA-N	1	0	368.481	1.931	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCS(C)(=O)=O	ZINC001111319700	1009571108	/nfs/dbraw/zinc/57/11/08/1009571108.db2.gz	AXUZEZQWBQTUGY-QRVBRYPASA-N	1	0	374.506	1.367	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCCc1cnn(-c2ccccc2)c1	ZINC000303787581	1009582969	/nfs/dbraw/zinc/58/29/69/1009582969.db2.gz	SNVXFXQYDCUZKL-UHFFFAOYSA-N	1	0	356.474	1.041	20	30		FDEDRO
C[C@@H]1CCO[C@@H]1C(=O)NCC[NH+]1CCC(Nc2ccc(C#N)nc2)CC1	ZINC001111322502	1009591697	/nfs/dbraw/zinc/59/16/97/1009591697.db2.gz	NBUFNOIOIQTURI-KDOFPFPSSA-N	1	0	357.458	1.371	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH+]1CCC(Nc2ccnc(C)n2)CC1	ZINC001111321315	1009597960	/nfs/dbraw/zinc/59/79/60/1009597960.db2.gz	GWGAVFFPWKPPMC-SJORKVTESA-N	1	0	359.474	1.369	20	30		FDEDRO
N#Cc1cccnc1NC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2C2CC2)CC1	ZINC001111323643	1009615140	/nfs/dbraw/zinc/61/51/40/1009615140.db2.gz	NLIPYVYBIROILP-ZWKOTPCHSA-N	1	0	353.470	1.992	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCCc1ccc(OC(F)(F)F)cc1	ZINC000303874817	1009645612	/nfs/dbraw/zinc/64/56/12/1009645612.db2.gz	DCTNIGRKCANPTK-UHFFFAOYSA-N	1	0	374.407	1.754	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NCCNC(=O)c2ccccc2F)cc1OC	ZINC000303901272	1009684164	/nfs/dbraw/zinc/68/41/64/1009684164.db2.gz	XHNFYTNMWXVNEL-UHFFFAOYSA-N	1	0	360.389	2.000	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCC(=O)NC2CCCCC2)cc1OC	ZINC000303983384	1009792914	/nfs/dbraw/zinc/79/29/14/1009792914.db2.gz	REWJMNRSSCSGIM-UHFFFAOYSA-N	1	0	362.474	1.600	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2	ZINC000950785926	1009813923	/nfs/dbraw/zinc/81/39/23/1009813923.db2.gz	LEINTFPSYVXIDL-ZACQAIPSSA-N	1	0	361.486	1.171	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1	ZINC000950802934	1009864421	/nfs/dbraw/zinc/86/44/21/1009864421.db2.gz	VYOPIJZRYLFNKZ-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000950986386	1010219358	/nfs/dbraw/zinc/21/93/58/1010219358.db2.gz	BFJXBRNZUKLWHI-ATZDWAIDSA-N	1	0	353.466	1.729	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)c(C)c1)C2	ZINC001111344024	1010342158	/nfs/dbraw/zinc/34/21/58/1010342158.db2.gz	NNALPNKPBZQJDO-AITUJVMLSA-N	1	0	353.466	1.776	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H](NC(=O)C[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000951079070	1010428388	/nfs/dbraw/zinc/42/83/88/1010428388.db2.gz	PSGRIBXXKNTLBQ-UFYCRDLUSA-N	1	0	371.525	1.875	20	30		FDEDRO
C=CCn1cc(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)nn1	ZINC000648386535	1010474076	/nfs/dbraw/zinc/47/40/76/1010474076.db2.gz	SQPMJHXGMLRJQN-UHFFFAOYSA-N	1	0	355.442	1.867	20	30		FDEDRO
C[NH+]=C(NCCCO[C@@H]1CCCc2ccccc21)NCCN1CCOCC1	ZINC000080359390	1010922500	/nfs/dbraw/zinc/92/25/00/1010922500.db2.gz	CVOAHRHKMBZLFJ-HXUWFJFHSA-N	1	0	374.529	1.968	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCN1C(=O)CNC1=O)C2	ZINC001111379278	1010944059	/nfs/dbraw/zinc/94/40/59/1010944059.db2.gz	BCUXXYRWXVMAEJ-FPCVCCKLSA-N	1	0	362.474	1.395	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCCN(C(=O)[C@]34C[C@H]3CCC4)C2)CC1	ZINC000951585689	1010950174	/nfs/dbraw/zinc/95/01/74/1010950174.db2.gz	HKHUGSLCJBZBFD-LVCYWYKZSA-N	1	0	357.498	1.629	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2cn(CC)nn2)C1	ZINC000962399974	1011232077	/nfs/dbraw/zinc/23/20/77/1011232077.db2.gz	DPPKBBUDKVSIHU-RLNQZENFSA-N	1	0	361.490	1.654	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)CC[N@@H+]1C	ZINC000952293791	1011576129	/nfs/dbraw/zinc/57/61/29/1011576129.db2.gz	MFLSPHOZQMQIML-CXAGYDPISA-N	1	0	357.458	1.195	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccnc1N(C)C)C2	ZINC001111405769	1012176313	/nfs/dbraw/zinc/17/63/13/1012176313.db2.gz	CDPMCZVSPIXXKY-ABFRBSLYSA-N	1	0	371.485	1.173	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCO[C@H]2C2CC2)c1	ZINC000961295203	1012185229	/nfs/dbraw/zinc/18/52/29/1012185229.db2.gz	BBXGYCZJNZWVNN-SLHNCBLASA-N	1	0	351.450	1.920	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1	ZINC000961667264	1012720793	/nfs/dbraw/zinc/72/07/93/1012720793.db2.gz	YDVFEXCPZZKGMF-ZJPYXAASSA-N	1	0	370.497	1.545	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000953974127	1012993660	/nfs/dbraw/zinc/99/36/60/1012993660.db2.gz	PBTPKEQAUTWUQK-HKUYNNGSSA-N	1	0	363.502	1.513	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC000953978626	1013017312	/nfs/dbraw/zinc/01/73/12/1013017312.db2.gz	WSHLDAPIQHIJLQ-DDBAPUKQSA-N	1	0	363.502	1.367	20	30		FDEDRO
Cn1cc(C[NH2+][C@H](Cc2ccccc2)C(=O)N2CCOCC2)cc1C#N	ZINC000191605674	178062837	/nfs/dbraw/zinc/06/28/37/178062837.db2.gz	LQLHTGWKUSHFOM-LJQANCHMSA-N	1	0	352.438	1.456	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1	ZINC000193009266	178142516	/nfs/dbraw/zinc/14/25/16/178142516.db2.gz	XNYITOLVHKOVJX-OAHLLOKOSA-N	1	0	371.485	1.998	20	30		FDEDRO
CC(C)C[C@H](C[NH3+])NS(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000236624231	178276677	/nfs/dbraw/zinc/27/66/77/178276677.db2.gz	ITEOILXJSHZORW-GFCCVEGCSA-N	1	0	360.277	1.972	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1	ZINC000236645820	178277680	/nfs/dbraw/zinc/27/76/80/178277680.db2.gz	ZZJZWJWZYYEUSP-FUNVUKJBSA-N	1	0	370.272	1.882	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1	ZINC000245934126	178390798	/nfs/dbraw/zinc/39/07/98/178390798.db2.gz	ZESLTDDWQKABBJ-HQRMLTQVSA-N	1	0	369.465	1.773	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C)c2C(=O)OC)CC1	ZINC000513180142	538988692	/nfs/dbraw/zinc/98/86/92/538988692.db2.gz	ZLHTYHRRUPNVNS-UHFFFAOYSA-N	1	0	359.426	1.487	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](COC(F)F)C2)CC1	ZINC000512826744	538981385	/nfs/dbraw/zinc/98/13/85/538981385.db2.gz	GKSMXADGINAJBI-LSDHHAIUSA-N	1	0	358.433	1.240	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2	ZINC000514922838	539021801	/nfs/dbraw/zinc/02/18/01/539021801.db2.gz	CGQIGSJJGUATHG-FQEVSTJZSA-N	1	0	370.453	1.886	20	30		FDEDRO
Cc1nc(C)c(CC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c(=O)[nH]1	ZINC000517563552	539371826	/nfs/dbraw/zinc/37/18/26/539371826.db2.gz	IIPAREWTWHBHEW-UHFFFAOYSA-N	1	0	367.453	1.804	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2c(CC)noc2CC)CC1	ZINC000267944634	674040059	/nfs/dbraw/zinc/04/00/59/674040059.db2.gz	VPFIXHFJVYHQBO-UHFFFAOYSA-N	1	0	351.451	1.825	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@@H](C)c3cncc(F)c3)CC2)o1	ZINC000518482254	539424133	/nfs/dbraw/zinc/42/41/33/539424133.db2.gz	OMEBGKHIYFYTFW-LBPRGKRZSA-N	1	0	372.404	1.388	20	30		FDEDRO
N#Cc1ccc(N2C(=O)C[C@H](N3CC[C@@H]([NH+]4CCCCC4)C3)C2=O)cc1	ZINC000264560790	179135833	/nfs/dbraw/zinc/13/58/33/179135833.db2.gz	FMZTVQFVMXMEKO-MSOLQXFVSA-N	1	0	352.438	1.750	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCC(C)(C)C[NH+](C)C)c1	ZINC000055174855	210067454	/nfs/dbraw/zinc/06/74/54/210067454.db2.gz	LTUCBYNQAKWXTB-UHFFFAOYSA-N	1	0	353.488	1.469	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)NCCSCc1ccccc1C#N	ZINC000264773734	179196296	/nfs/dbraw/zinc/19/62/96/179196296.db2.gz	WOOWMNCBLZAUNC-QGZVFWFLSA-N	1	0	361.515	1.336	20	30		FDEDRO
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)Cc2ccc(C#N)nc2)CC1	ZINC000528331847	539749352	/nfs/dbraw/zinc/74/93/52/539749352.db2.gz	USZIYQMVNXYECK-IAGOWNOFSA-N	1	0	355.486	1.513	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C	ZINC000268225494	180029692	/nfs/dbraw/zinc/02/96/92/180029692.db2.gz	REWCYBBVSAOWCX-SGTLLEGYSA-N	1	0	366.469	1.749	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCC[C@@H](N2CCOCC2)C1	ZINC000528516996	539765711	/nfs/dbraw/zinc/76/57/11/539765711.db2.gz	MHQUNYJIKDBUQB-QGZVFWFLSA-N	1	0	367.449	1.083	20	30		FDEDRO
CS(=O)(=O)NC[C@@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)C1	ZINC000268711090	180147386	/nfs/dbraw/zinc/14/73/86/180147386.db2.gz	XPAGJKPHWSRJSL-INIZCTEOSA-N	1	0	351.472	1.588	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C1	ZINC000269399108	180293857	/nfs/dbraw/zinc/29/38/57/180293857.db2.gz	VFRJEPZAPASLCM-INIZCTEOSA-N	1	0	374.441	1.121	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1	ZINC000269589509	180336147	/nfs/dbraw/zinc/33/61/47/180336147.db2.gz	RXTAJGANZFXTDD-MRXNPFEDSA-N	1	0	372.469	1.990	20	30		FDEDRO
CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCCn1cnc(C#N)n1	ZINC000529372828	539829269	/nfs/dbraw/zinc/82/92/69/539829269.db2.gz	YOBXMYSBQFDOEL-QZTJIDSGSA-N	1	0	366.469	1.814	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCCN(c2cccnc2)C1=O	ZINC000530231544	539915564	/nfs/dbraw/zinc/91/55/64/539915564.db2.gz	JPTHHMASRXUPHP-QZTJIDSGSA-N	1	0	366.421	1.478	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCN(c2ncccc2F)C1	ZINC000530230937	539915622	/nfs/dbraw/zinc/91/56/22/539915622.db2.gz	DXCJPMFADNYYJR-HOTGVXAUSA-N	1	0	356.401	1.701	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000530231677	539915681	/nfs/dbraw/zinc/91/56/81/539915681.db2.gz	SOLPCUJMROHGJM-CHWSQXEVSA-N	1	0	357.332	1.051	20	30		FDEDRO
COc1ccc2c(c1)OC[C@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)C2	ZINC000530231174	539915737	/nfs/dbraw/zinc/91/57/37/539915737.db2.gz	FMEKEVAXEIIGQH-IAGOWNOFSA-N	1	0	354.406	1.900	20	30		FDEDRO
CCOC(=O)[C@](C)(O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000274592821	181128880	/nfs/dbraw/zinc/12/88/80/181128880.db2.gz	KLPJVZUFJTXMME-LJQANCHMSA-N	1	0	359.426	1.523	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H]([NH2+]C2CCN(C(=O)C3CC3)CC2)C1=O	ZINC000530723278	540030027	/nfs/dbraw/zinc/03/00/27/540030027.db2.gz	KQSUNLMFHMTLKI-HNNXBMFYSA-N	1	0	358.467	1.716	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)CC(=O)Nc2ccc3c(c2)OCCCO3)C1=O	ZINC000532217121	540145616	/nfs/dbraw/zinc/14/56/16/540145616.db2.gz	LNTJCYDGRVJLQY-OAHLLOKOSA-N	1	0	359.426	1.505	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(c2cccc(C#N)n2)CC1)C[NH+]1CCCC1	ZINC000546895805	542253476	/nfs/dbraw/zinc/25/34/76/542253476.db2.gz	AIANEMYPTDGJHN-INIZCTEOSA-N	1	0	356.474	1.517	20	30		FDEDRO
N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@H]([C@H]4CCOC4)C3)C2=O)cc1	ZINC000533496138	540255409	/nfs/dbraw/zinc/25/54/09/540255409.db2.gz	BGRINTILLLBGST-BQFCYCMXSA-N	1	0	353.422	1.939	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)N[C@H]1CCCc2ccccc21	ZINC000534834640	540417505	/nfs/dbraw/zinc/41/75/05/540417505.db2.gz	XCMMHYIXQJOLNU-KRWDZBQOSA-N	1	0	366.469	1.922	20	30		FDEDRO
CCS(=O)(=O)c1ccc(CCC(=O)NC2(C#N)CC[NH+](C)CC2)cc1	ZINC000535298217	540464659	/nfs/dbraw/zinc/46/46/59/540464659.db2.gz	KHWWMOQAIMUBHH-UHFFFAOYSA-N	1	0	363.483	1.517	20	30		FDEDRO
CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CCC[NH3+])cc1	ZINC000269034485	674105697	/nfs/dbraw/zinc/10/56/97/674105697.db2.gz	CFKSIPCBYDRJRE-SILNSSARSA-N	1	0	366.487	1.957	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)CC[N@H+](C)C1CCN(C)CC1	ZINC000538132918	540814003	/nfs/dbraw/zinc/81/40/03/540814003.db2.gz	FJMIOMUPCAIZRL-QFBILLFUSA-N	1	0	351.539	1.387	20	30		FDEDRO
C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ncn(C)n1	ZINC000275457143	181322419	/nfs/dbraw/zinc/32/24/19/181322419.db2.gz	HHRLAYXWEBBFKW-AWEZNQCLSA-N	1	0	355.446	1.521	20	30		FDEDRO
CCOC(=O)CC(C)(C)[N@H+](C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000540347717	541048315	/nfs/dbraw/zinc/04/83/15/541048315.db2.gz	GFVIDEIQCQFAEY-INIZCTEOSA-N	1	0	366.506	1.342	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1F	ZINC000269240354	674107824	/nfs/dbraw/zinc/10/78/24/674107824.db2.gz	XJXSHYQCDCQLGT-GXTWGEPZSA-N	1	0	369.462	1.408	20	30		FDEDRO
CCC[C@](C)([NH3+])C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1	ZINC000269273725	674108376	/nfs/dbraw/zinc/10/83/76/674108376.db2.gz	YJKSMXDSQMCTNM-AWZALFRUSA-N	1	0	366.487	1.955	20	30		FDEDRO
C[NH2+]CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1	ZINC000269257498	674108432	/nfs/dbraw/zinc/10/84/32/674108432.db2.gz	PSTDILCAUQOZRQ-XDJHFCHBSA-N	1	0	352.460	1.438	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@H](CC(=O)OC(C)C)c1ccc(C)cc1	ZINC000542135251	541345615	/nfs/dbraw/zinc/34/56/15/541345615.db2.gz	VIJQYFXISMBQIX-INIZCTEOSA-N	1	0	361.442	1.979	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CSc2nc(-c3ccccc3)no2)CC1	ZINC000542594421	541430846	/nfs/dbraw/zinc/43/08/46/541430846.db2.gz	DCSICGOANXISHQ-UHFFFAOYSA-N	1	0	357.439	1.933	20	30		FDEDRO
COC(=O)Cn1cc(CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)nn1	ZINC000542842526	541486243	/nfs/dbraw/zinc/48/62/43/541486243.db2.gz	GUBFSIXMRVQWFF-UHFFFAOYSA-N	1	0	368.441	1.077	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCN(C)c1cc[nH+]cc1	ZINC000543712256	541642614	/nfs/dbraw/zinc/64/26/14/541642614.db2.gz	BMODEXUJQGUBRL-OAHLLOKOSA-N	1	0	365.441	1.307	20	30		FDEDRO
C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1CCC(CC#N)CC1	ZINC000543811873	541666321	/nfs/dbraw/zinc/66/63/21/541666321.db2.gz	XHINUBNXSLCVNL-HNNXBMFYSA-N	1	0	358.442	1.578	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCC1	ZINC000544168072	541728143	/nfs/dbraw/zinc/72/81/43/541728143.db2.gz	AOKMEJMYSUKTJF-CQSZACIVSA-N	1	0	374.441	1.122	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(c2cccc(C#N)n2)CC1)C[NH+]1CCCCC1	ZINC000544855649	541844313	/nfs/dbraw/zinc/84/43/13/541844313.db2.gz	RHJCYJDRKOHLCI-QGZVFWFLSA-N	1	0	370.501	1.907	20	30		FDEDRO
COC(=O)c1cn([C@H]2CC[N@H+](CCC(=O)Nc3cccc(C#N)c3)C2)nn1	ZINC000544895594	541851823	/nfs/dbraw/zinc/85/18/23/541851823.db2.gz	ICOCJDQQOMNQOK-HNNXBMFYSA-N	1	0	368.397	1.212	20	30		FDEDRO
CC(C)OCCN1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1	ZINC000282791189	182056690	/nfs/dbraw/zinc/05/66/90/182056690.db2.gz	PZALDMUQEKOECL-UHFFFAOYSA-N	1	0	367.453	1.927	20	30		FDEDRO
Cn1nccc1COCC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000283931751	182319964	/nfs/dbraw/zinc/31/99/64/182319964.db2.gz	MIMRRZIGWOHSSE-UHFFFAOYSA-N	1	0	355.442	1.399	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccc(C#N)cc1	ZINC000283942624	182323893	/nfs/dbraw/zinc/32/38/93/182323893.db2.gz	FQGJOJYVWWFMPB-ACJLOTCBSA-N	1	0	360.483	1.289	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1)c1ccc(C#N)cc1	ZINC000284065236	182353451	/nfs/dbraw/zinc/35/34/51/182353451.db2.gz	QZNKVLHXONCODW-HNNXBMFYSA-N	1	0	354.454	1.822	20	30		FDEDRO
C[NH+](C)CCc1ccc(CNC(=O)C(=O)NCc2cccc(C#N)c2)cc1	ZINC000284069339	182354570	/nfs/dbraw/zinc/35/45/70/182354570.db2.gz	RFZUGBPEYZOQAD-UHFFFAOYSA-N	1	0	364.449	1.595	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccc(C#N)cc1	ZINC000284069492	182354628	/nfs/dbraw/zinc/35/46/28/182354628.db2.gz	RHIPFBHENLJTJI-MAUKXSAKSA-N	1	0	354.454	1.822	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)c1ccc(C#N)cc1	ZINC000284086504	182360903	/nfs/dbraw/zinc/36/09/03/182360903.db2.gz	SHHHCBLQABLEHA-BMGDILEWSA-N	1	0	354.454	1.678	20	30		FDEDRO
C=CCNC(=O)CN1CC[NH+](C[C@@H](C)Cc2ccc(OC)c(F)c2)CC1	ZINC000545598408	542001788	/nfs/dbraw/zinc/00/17/88/542001788.db2.gz	FHHZKLJQWIGYRF-INIZCTEOSA-N	1	0	363.477	1.933	20	30		FDEDRO
C[C@@]1(CO)CCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000546105774	542099707	/nfs/dbraw/zinc/09/97/07/542099707.db2.gz	YZZYPBBIYXMVAI-ICSRJNTNSA-N	1	0	374.460	1.381	20	30		FDEDRO
CCO[C@@H]1COCC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000546159536	542112885	/nfs/dbraw/zinc/11/28/85/542112885.db2.gz	SKTZNJLFYVGQIL-RTBURBONSA-N	1	0	374.485	1.825	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nc3cc(Cl)ccn3c2C#N)CC1	ZINC000286225045	183018782	/nfs/dbraw/zinc/01/87/82/183018782.db2.gz	NRTFXHYHOZCGTA-CQSZACIVSA-N	1	0	372.860	1.602	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC1	ZINC000286543954	183092174	/nfs/dbraw/zinc/09/21/74/183092174.db2.gz	ZLJDMWAXYLBILI-UHFFFAOYSA-N	1	0	363.418	1.425	20	30		FDEDRO
C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NCCn1cnc(C#N)n1)C1CC1	ZINC000287194529	183233373	/nfs/dbraw/zinc/23/33/73/183233373.db2.gz	PEFUWENSVGKYSP-KRWDZBQOSA-N	1	0	367.457	1.360	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+]CC3(OCCO)CCOCC3)CC2)cc1	ZINC000287711189	183363842	/nfs/dbraw/zinc/36/38/42/183363842.db2.gz	XNJJZZMXBMMHDT-UHFFFAOYSA-N	1	0	359.470	1.675	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)o1	ZINC000287739861	183370977	/nfs/dbraw/zinc/37/09/77/183370977.db2.gz	HVCCQJJTKSFPDQ-HUUCEWRRSA-N	1	0	353.444	1.197	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(C#N)cc(N(C)C)c3)C2)CC1	ZINC000292676684	183928559	/nfs/dbraw/zinc/92/85/59/183928559.db2.gz	KCEDZDNUFXURDR-SFHVURJKSA-N	1	0	355.486	1.476	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(C#N)cn1	ZINC000294692378	184001550	/nfs/dbraw/zinc/00/15/50/184001550.db2.gz	IPSJYQLIMKCQKH-UHFFFAOYSA-N	1	0	369.400	1.621	20	30		FDEDRO
C[NH+](C)[C@@]1(CNS(=O)(=O)Cc2ccc(F)cc2C#N)CCSC1	ZINC000295255806	184050757	/nfs/dbraw/zinc/05/07/57/184050757.db2.gz	QVHCAHNFZHNMKJ-OAHLLOKOSA-N	1	0	357.476	1.554	20	30		FDEDRO
N#Cc1cccc(-c2cc(C(=O)N[C@@H]3CCC[N@@H+](CCCO)C3)on2)c1	ZINC000295545669	184082208	/nfs/dbraw/zinc/08/22/08/184082208.db2.gz	SLZRKOVSYHHVBJ-MRXNPFEDSA-N	1	0	354.410	1.790	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNS(=O)(=O)Cc2ccc(F)cc2C#N)CCCO1	ZINC000296150962	184135397	/nfs/dbraw/zinc/13/53/97/184135397.db2.gz	KDDOBTXPLMWPLC-CQSZACIVSA-N	1	0	369.462	1.618	20	30		FDEDRO
CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1	ZINC000297994033	184370557	/nfs/dbraw/zinc/37/05/57/184370557.db2.gz	XGRVCMKTRSKEGU-YJBOKZPZSA-N	1	0	356.470	1.883	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC)c3cccnc23)CC1	ZINC000547446476	542342079	/nfs/dbraw/zinc/34/20/79/542342079.db2.gz	BLAFPNGOQSJDHO-UHFFFAOYSA-N	1	0	368.437	1.949	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCN(c3ncccn3)C2)cc1	ZINC000548925274	542808770	/nfs/dbraw/zinc/80/87/70/542808770.db2.gz	CEEQIZSTSYYVCE-QZTJIDSGSA-N	1	0	367.453	1.541	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]CCc2ccc3c(c2)OCO3)c1	ZINC000548908216	542803081	/nfs/dbraw/zinc/80/30/81/542803081.db2.gz	LWSOQWDZUPRRPD-UHFFFAOYSA-N	1	0	358.419	1.893	20	30		FDEDRO
Cc1nc(SCC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c(C#N)c(C)c1C	ZINC000570578735	549333568	/nfs/dbraw/zinc/33/35/68/549333568.db2.gz	RQCKDLCCJODKQJ-INIZCTEOSA-N	1	0	373.526	1.477	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1sccc1C#N)Cc1ccccc1	ZINC000550218467	543040862	/nfs/dbraw/zinc/04/08/62/543040862.db2.gz	KLVIQHMAHHMHMG-HNNXBMFYSA-N	1	0	356.451	1.847	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(C#N)cc1	ZINC000550979918	543210390	/nfs/dbraw/zinc/21/03/90/543210390.db2.gz	UDXTUITTYQQYFZ-WMLDXEAASA-N	1	0	354.454	1.869	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2ccc(OC(C)C)cc2)CC1	ZINC000550944739	543203868	/nfs/dbraw/zinc/20/38/68/543203868.db2.gz	MOGDJFWIYDTSFL-UHFFFAOYSA-N	1	0	373.497	1.899	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000551010148	543215218	/nfs/dbraw/zinc/21/52/18/543215218.db2.gz	MBAVVKJLUCSSFF-SFHVURJKSA-N	1	0	359.470	1.428	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@]1(C)CO)C(C)C	ZINC000551220913	543254143	/nfs/dbraw/zinc/25/41/43/543254143.db2.gz	DZLMMNGCQSBEBS-VQIMIIECSA-N	1	0	351.491	1.175	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1	ZINC000552520221	543479765	/nfs/dbraw/zinc/47/97/65/543479765.db2.gz	MSIZALMGGNKNPS-HOCLYGCPSA-N	1	0	351.516	1.497	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000552521601	543480459	/nfs/dbraw/zinc/48/04/59/543480459.db2.gz	NCAARNGRODASEQ-NVXWUHKLSA-N	1	0	361.511	1.659	20	30		FDEDRO
COc1ccc([C@@H](C[NH+](C)C)NC(=O)CNc2ccc(C#N)cn2)cc1	ZINC000552816020	543521720	/nfs/dbraw/zinc/52/17/20/543521720.db2.gz	AKTHDJZUXFUROM-QGZVFWFLSA-N	1	0	353.426	1.793	20	30		FDEDRO
COC1(C)CC[NH+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1	ZINC000553054150	543559704	/nfs/dbraw/zinc/55/97/04/543559704.db2.gz	KBHVHTPEVNFVTE-UHFFFAOYSA-N	1	0	361.446	1.004	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](CN2CCOCC2)C1	ZINC000069859253	172033768	/nfs/dbraw/zinc/03/37/68/172033768.db2.gz	QYANZXYDCFFIHN-QGZVFWFLSA-N	1	0	356.470	1.931	20	30		FDEDRO
CC[N@H+](C)C[C@H]1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000072860595	172052584	/nfs/dbraw/zinc/05/25/84/172052584.db2.gz	KCBPHUHVKITAMH-MRXNPFEDSA-N	1	0	366.469	1.956	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1	ZINC000075435690	172091721	/nfs/dbraw/zinc/09/17/21/172091721.db2.gz	WIOXBYCTOOUAFF-UHFFFAOYSA-N	1	0	360.433	1.951	20	30		FDEDRO
Cn1c(NC2CC[NH+](CCc3ccccc3)CC2)c(C#N)c(=O)n(C)c1=O	ZINC000075669896	172093550	/nfs/dbraw/zinc/09/35/50/172093550.db2.gz	ZSYSWXFGAZIYOQ-UHFFFAOYSA-N	1	0	367.453	1.075	20	30		FDEDRO
N#Cc1cccc(OCC[N@H+]2CCCN(CC(=O)N3CCCC3)CC2)c1	ZINC000076610057	172113096	/nfs/dbraw/zinc/11/30/96/172113096.db2.gz	UBEUIGPGTOHLFQ-UHFFFAOYSA-N	1	0	356.470	1.567	20	30		FDEDRO
COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[NH+](CC2CCOCC2)CC1	ZINC000083199107	172203098	/nfs/dbraw/zinc/20/30/98/172203098.db2.gz	MWHZHWYDHSMFAQ-LJQANCHMSA-N	1	0	357.454	1.817	20	30		FDEDRO
C[NH+](C)C[C@](C)(O)CNC(=O)N[C@H]1CCCN(c2ccccc2C#N)C1	ZINC000126197475	173032344	/nfs/dbraw/zinc/03/23/44/173032344.db2.gz	DDZYGEBBOIPDSP-QFBILLFUSA-N	1	0	359.474	1.139	20	30		FDEDRO
N#Cc1ccccc1S(=O)(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1	ZINC000127534910	173080752	/nfs/dbraw/zinc/08/07/52/173080752.db2.gz	XTVSIXYQOGBDPN-IRXDYDNUSA-N	1	0	363.483	1.604	20	30		FDEDRO
COC(=O)CN1CCC([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000136396058	173360695	/nfs/dbraw/zinc/36/06/95/173360695.db2.gz	LROQINHKQJMFAA-QGZVFWFLSA-N	1	0	374.460	1.893	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000141456064	173376755	/nfs/dbraw/zinc/37/67/55/173376755.db2.gz	KSXUEXDJBDTICO-CRAIPNDOSA-N	1	0	369.469	1.124	20	30		FDEDRO
C[NH+](C)CCCNC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	ZINC000162865496	173779824	/nfs/dbraw/zinc/77/98/24/173779824.db2.gz	VPKAUVDLFXKWMK-UHFFFAOYSA-N	1	0	357.439	1.688	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C[N@@H+]1C1CC1	ZINC000175556613	174012414	/nfs/dbraw/zinc/01/24/14/174012414.db2.gz	GDILLVNLQLAGQX-GDBMZVCRSA-N	1	0	354.458	1.410	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1	ZINC000175796770	174028180	/nfs/dbraw/zinc/02/81/80/174028180.db2.gz	SXINLDPYEYKEQD-JSGCOSHPSA-N	1	0	356.426	1.637	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1	ZINC000175991465	174042544	/nfs/dbraw/zinc/04/25/44/174042544.db2.gz	AFMDNBITNKZZCN-UHFFFAOYSA-N	1	0	374.416	1.207	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[NH+]([C@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1	ZINC000176278108	174062978	/nfs/dbraw/zinc/06/29/78/174062978.db2.gz	VSBDEPBNWBSOOL-JZXOWHBKSA-N	1	0	352.438	1.830	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1	ZINC000177048346	174103546	/nfs/dbraw/zinc/10/35/46/174103546.db2.gz	VGKWBPRNYKBHAN-LJQANCHMSA-N	1	0	372.469	1.258	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)CC[N@H+](C)C1CCN(C)CC1	ZINC000177374776	174125937	/nfs/dbraw/zinc/12/59/37/174125937.db2.gz	QCXTWPHIUGQIAB-MRXNPFEDSA-N	1	0	357.502	1.843	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1	ZINC000177986482	174166771	/nfs/dbraw/zinc/16/67/71/174166771.db2.gz	BDUIRDWYMUXLPG-INIZCTEOSA-N	1	0	372.469	1.990	20	30		FDEDRO
Cn1cc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)c(-c2ccc(C#N)cc2)n1	ZINC000180177633	258363609	/nfs/dbraw/zinc/36/36/09/258363609.db2.gz	SXMGIHYNVCEDGR-LJQANCHMSA-N	1	0	351.454	1.912	20	30		FDEDRO
COc1ccc(C[NH2+]CCS(=O)(=O)NCc2ccccc2)cc1C#N	ZINC000174309361	258323529	/nfs/dbraw/zinc/32/35/29/258323529.db2.gz	AICAIYDVTFQROC-UHFFFAOYSA-N	1	0	359.451	1.776	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000184623791	258383053	/nfs/dbraw/zinc/38/30/53/258383053.db2.gz	HNQDKYYJZHHCMS-MRXNPFEDSA-N	1	0	369.429	1.371	20	30		FDEDRO
Cn1cc(C[NH2+]CCC(=O)N2CCN(c3ccccc3)CC2)cc1C#N	ZINC000190911973	258390157	/nfs/dbraw/zinc/39/01/57/258390157.db2.gz	PTMBEPYRKHDFMQ-UHFFFAOYSA-N	1	0	351.454	1.725	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000247449972	258399165	/nfs/dbraw/zinc/39/91/65/258399165.db2.gz	SPWHGWPYBLHEPX-HZPDHXFCSA-N	1	0	371.489	1.443	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCc3c2cccc3OC)CC1	ZINC000553465072	543641933	/nfs/dbraw/zinc/64/19/33/543641933.db2.gz	ACPVFELMCGJDMC-GOSISDBHSA-N	1	0	371.481	1.955	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccn(C3CCCC3)n2)CC1	ZINC000553732380	543688282	/nfs/dbraw/zinc/68/82/82/543688282.db2.gz	CXJWINZOLOAJTR-UHFFFAOYSA-N	1	0	373.501	1.771	20	30		FDEDRO
N#Cc1cnn2c1NC[C@H](C[NH2+][C@H]1CC(=O)N(c3ccccc3Cl)C1)C2	ZINC000553527623	543652378	/nfs/dbraw/zinc/65/23/78/543652378.db2.gz	UYJYFWIULVIIGG-JSGCOSHPSA-N	1	0	370.844	1.845	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)CC1	ZINC000553533417	543653513	/nfs/dbraw/zinc/65/35/13/543653513.db2.gz	LETKPLIQYCXMDE-INIZCTEOSA-N	1	0	372.535	1.140	20	30		FDEDRO
COC(=O)CN(C)C(=O)CC[NH+]1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000554330931	543784526	/nfs/dbraw/zinc/78/45/26/543784526.db2.gz	FADZCNXPHQKMNY-UHFFFAOYSA-N	1	0	359.426	1.423	20	30		FDEDRO
Cc1nnc2n1C[C@@H](C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)CC2	ZINC000554797854	543872957	/nfs/dbraw/zinc/87/29/57/543872957.db2.gz	AHPDRVHNYAMAQG-OAHLLOKOSA-N	1	0	359.455	1.084	20	30		FDEDRO
N#Cc1cc(N[C@H](CO)C[NH+]2CCCCC2)nc2ccc([N+](=O)[O-])cc12	ZINC000554800968	543873356	/nfs/dbraw/zinc/87/33/56/543873356.db2.gz	LFMQZJPBYZCLLP-AWEZNQCLSA-N	1	0	355.398	2.273	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1	ZINC000555922967	544055862	/nfs/dbraw/zinc/05/58/62/544055862.db2.gz	WXILDDMFSPSODR-IAGOWNOFSA-N	1	0	352.523	1.236	20	30		FDEDRO
N#Cc1cccc(C2([NH2+]CC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c1	ZINC000556505031	544150463	/nfs/dbraw/zinc/15/04/63/544150463.db2.gz	CJDFCJLIZLZKDB-UHFFFAOYSA-N	1	0	370.434	1.423	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(S(=O)(=O)CC)cc1	ZINC000556506069	544150911	/nfs/dbraw/zinc/15/09/11/544150911.db2.gz	JKABVQCOACUPLC-GFCCVEGCSA-N	1	0	353.444	1.143	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCC[NH2+]C(C)C)cc1	ZINC000556987630	544228726	/nfs/dbraw/zinc/22/87/26/544228726.db2.gz	GROKQBVGEBECQN-UHFFFAOYSA-N	1	0	361.446	1.437	20	30		FDEDRO
CC[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(C#N)cc1	ZINC000558253474	544405051	/nfs/dbraw/zinc/40/50/51/544405051.db2.gz	CHANFMOMLSDFQN-IAGOWNOFSA-N	1	0	350.488	1.870	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[NH+](C)C	ZINC000281897394	258686679	/nfs/dbraw/zinc/68/66/79/258686679.db2.gz	IOYANPMUEBRVGY-VIFPVBQESA-N	1	0	358.320	1.462	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC#Cc2cccc(F)c2)CC1	ZINC000558956561	544560642	/nfs/dbraw/zinc/56/06/42/544560642.db2.gz	JEDNHTKMMCUNQX-SFHVURJKSA-N	1	0	372.444	1.125	20	30		FDEDRO
CC[NH+](CC)CC1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)CC1	ZINC000559715912	544773062	/nfs/dbraw/zinc/77/30/62/544773062.db2.gz	GTHRMBDKBGLHQX-UHFFFAOYSA-N	1	0	356.470	1.755	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1	ZINC000559834323	544814327	/nfs/dbraw/zinc/81/43/27/544814327.db2.gz	VBYYIJSNFNBMCB-UHFFFAOYSA-N	1	0	372.513	1.345	20	30		FDEDRO
CC1(C)COC[C@@H]1[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000560319585	544951971	/nfs/dbraw/zinc/95/19/71/544951971.db2.gz	AQLDANXLDAOOFS-HOCLYGCPSA-N	1	0	362.499	1.472	20	30		FDEDRO
CC1(C)COC[C@H]1[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000560319583	544952218	/nfs/dbraw/zinc/95/22/18/544952218.db2.gz	AQLDANXLDAOOFS-GDBMZVCRSA-N	1	0	362.499	1.472	20	30		FDEDRO
C[N@H+]1CC=C(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1	ZINC000560221931	544919832	/nfs/dbraw/zinc/91/98/32/544919832.db2.gz	ONSAKPBEMFHNMR-HNNXBMFYSA-N	1	0	372.856	1.943	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)Cc3c(F)cccc3C#N)cn2)CC1	ZINC000560430418	545005633	/nfs/dbraw/zinc/00/56/33/545005633.db2.gz	OHIWIHHNDAXZNJ-UHFFFAOYSA-N	1	0	367.428	1.703	20	30		FDEDRO
N#Cc1cccc(NC(=O)C2CC[NH+](CCN3C(=O)CCC3=O)CC2)c1	ZINC000299605019	259010048	/nfs/dbraw/zinc/01/00/48/259010048.db2.gz	GMLSRAXERDSJAO-UHFFFAOYSA-N	1	0	354.410	1.358	20	30		FDEDRO
CS[C@@H]1CN([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@H]1[NH+](C)C	ZINC000299728030	259019529	/nfs/dbraw/zinc/01/95/29/259019529.db2.gz	VPNCMVSTZQRQQA-MGPQQGTHSA-N	1	0	350.513	1.702	20	30		FDEDRO
C[C@H]1C[NH+](CCCNc2ccc(S(N)(=O)=O)cc2C#N)C[C@H](C)O1	ZINC000301173980	259022542	/nfs/dbraw/zinc/02/25/42/259022542.db2.gz	HHPPPVZZLTYVMQ-STQMWFEESA-N	1	0	352.460	1.117	20	30		FDEDRO
N#Cc1ccc(N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)nn1	ZINC000301966315	259036849	/nfs/dbraw/zinc/03/68/49/259036849.db2.gz	KPNUIXGAAYFKQN-UHFFFAOYSA-N	1	0	356.474	1.557	20	30		FDEDRO
Cn1c(NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)c(C#N)c(=O)n(C)c1=O	ZINC000302509960	259042844	/nfs/dbraw/zinc/04/28/44/259042844.db2.gz	WZUQFSZFWFZQHI-KRWDZBQOSA-N	1	0	367.453	1.278	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21	ZINC000329042659	259073813	/nfs/dbraw/zinc/07/38/13/259073813.db2.gz	TYMJNOOKBNQERY-IRXDYDNUSA-N	1	0	358.442	1.140	20	30		FDEDRO
N#Cc1c(CN2CCC[C@@](O)(C(=O)N3CCCC3)C2)cn2ccccc12	ZINC000329103800	259077566	/nfs/dbraw/zinc/07/75/66/259077566.db2.gz	DJLNVNGNAPLUTP-FQEVSTJZSA-N	1	0	352.438	1.760	20	30		FDEDRO
CC(C)CC[NH+]1CCC(CNS(=O)(=O)c2cccnc2C#N)CC1	ZINC000331146624	259178788	/nfs/dbraw/zinc/17/87/88/259178788.db2.gz	IHWRKLRKQHTIRI-UHFFFAOYSA-N	1	0	350.488	1.990	20	30		FDEDRO
CC(C)(C)c1csc(NC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)c1C#N	ZINC000331775210	259219071	/nfs/dbraw/zinc/21/90/71/259219071.db2.gz	GIYDTNLDGIOLML-NEPJUHHUSA-N	1	0	360.483	1.924	20	30		FDEDRO
CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)s1	ZINC000331820430	259222114	/nfs/dbraw/zinc/22/21/14/259222114.db2.gz	PHVAOFKOVNOLIR-WCQYABFASA-N	1	0	360.483	1.924	20	30		FDEDRO
Cc1cc(C[NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)ccc1C#N	ZINC000332443374	259267357	/nfs/dbraw/zinc/26/73/57/259267357.db2.gz	JRXSXOHOMIBYCX-UHFFFAOYSA-N	1	0	373.482	1.543	20	30		FDEDRO
CN(C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCC[NH2+]CC1	ZINC000333479008	259352379	/nfs/dbraw/zinc/35/23/79/259352379.db2.gz	BFHXZBSQVPMUDZ-WMZOPIPTSA-N	1	0	369.469	1.837	20	30		FDEDRO
C[C@@H](NC(=O)N1CCN(c2cccc(F)c2C#N)CC1)[C@@H]1CCC[NH2+]C1	ZINC000333638936	259365293	/nfs/dbraw/zinc/36/52/93/259365293.db2.gz	HUGAWZGNAYVQQP-HUUCEWRRSA-N	1	0	359.449	1.917	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)C2=O)cc1	ZINC000333641608	259365767	/nfs/dbraw/zinc/36/57/67/259365767.db2.gz	UMECQRXQGWJIBJ-JQHSSLGASA-N	1	0	367.453	1.447	20	30		FDEDRO
C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000333825401	259385383	/nfs/dbraw/zinc/38/53/83/259385383.db2.gz	LNFZOUOLMHFJSO-KBXCAEBGSA-N	1	0	369.469	1.916	20	30		FDEDRO
C[C@@]1(CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CCC[NH2+]C1	ZINC000333895841	259391236	/nfs/dbraw/zinc/39/12/36/259391236.db2.gz	YZTJOTNIOYXCQF-LJQANCHMSA-N	1	0	359.449	1.919	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21	ZINC000361277807	259456253	/nfs/dbraw/zinc/45/62/53/259456253.db2.gz	FXEHSDSOXAAILB-JFIYKMOQSA-N	1	0	373.453	1.656	20	30		FDEDRO
N#Cc1ccc(OCCN2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)cc1	ZINC000365775438	259876588	/nfs/dbraw/zinc/87/65/88/259876588.db2.gz	JYUBHPOOQMPKOT-QGZVFWFLSA-N	1	0	363.483	1.178	20	30		FDEDRO
C[C@@H]1C[C@@H](N2CCOCC2)CN1N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000367574275	260063132	/nfs/dbraw/zinc/06/31/32/260063132.db2.gz	HBESRBDGGPROAY-WIYYLYMNSA-N	1	0	371.529	1.632	20	30		FDEDRO
C[C@@]1(CNC(=O)NCCn2cnc(C#N)n2)CCC[N@@H+]1Cc1ccccc1	ZINC000367794574	260092494	/nfs/dbraw/zinc/09/24/94/260092494.db2.gz	SQDYGGSMYNJYBF-IBGZPJMESA-N	1	0	367.457	1.504	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([NH2+]C[C@@H]3CN(C4CC4)CCO3)C2=O)cc1	ZINC000367867089	260102472	/nfs/dbraw/zinc/10/24/72/260102472.db2.gz	ANQPCLHCOSFQDN-RTBURBONSA-N	1	0	354.454	1.506	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1	ZINC000368152071	260141839	/nfs/dbraw/zinc/14/18/39/260141839.db2.gz	LQIOMAZOOAKMJS-AUUYWEPGSA-N	1	0	374.464	1.598	20	30		FDEDRO
C[N@@H+]1CC[C@H](CNC(=O)NCCn2cnc(C#N)n2)[C@@H]1c1cccs1	ZINC000368625139	260211424	/nfs/dbraw/zinc/21/14/24/260211424.db2.gz	PUYMWGQGYBAMIY-IUODEOHRSA-N	1	0	359.459	1.203	20	30		FDEDRO
C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000369390253	260355768	/nfs/dbraw/zinc/35/57/68/260355768.db2.gz	YGUDMPYTDSTFPZ-AWEZNQCLSA-N	1	0	370.432	1.973	20	30		FDEDRO
COC(=O)c1ccccc1OCC[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000373399972	261007620	/nfs/dbraw/zinc/00/76/20/261007620.db2.gz	NUBXGNSXVSGCDN-UHFFFAOYSA-N	1	0	355.398	1.652	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[N@@H+]4CCC[C@H]4C3)CC2)o1	ZINC000373480037	261014063	/nfs/dbraw/zinc/01/40/63/261014063.db2.gz	AUIAPODSIHDWDY-INIZCTEOSA-N	1	0	357.458	1.768	20	30		FDEDRO
CCOC(=O)C[C@H]1C[C@@H](OC)CN1CC(=O)NCc1cccc(C#N)c1	ZINC000373584126	261022266	/nfs/dbraw/zinc/02/22/66/261022266.db2.gz	KOPXXXPSTODSQX-IAGOWNOFSA-N	1	0	359.426	1.217	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCC[N@H+]3CC=CCC3)C2)n1	ZINC000373622470	261025260	/nfs/dbraw/zinc/02/52/60/261025260.db2.gz	JYGQFVGNAXMIMV-GOSISDBHSA-N	1	0	353.470	1.856	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCc2cccc(C#N)c2)CC1=O	ZINC000374057620	261071668	/nfs/dbraw/zinc/07/16/68/261071668.db2.gz	KLCKJTJFRDTRAD-RTBURBONSA-N	1	0	368.481	1.550	20	30		FDEDRO
N#Cc1cc(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)ccc1OC(F)(F)F	ZINC000374202931	261093665	/nfs/dbraw/zinc/09/36/65/261093665.db2.gz	AMKNFYLYCFHQAE-ZDUSSCGKSA-N	1	0	354.332	1.785	20	30		FDEDRO
C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1	ZINC000408371678	262100915	/nfs/dbraw/zinc/10/09/15/262100915.db2.gz	CRULNILTDFWUDJ-JSGCOSHPSA-N	1	0	364.427	1.571	20	30		FDEDRO
N#CCCCCS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO	ZINC000271200676	674321512	/nfs/dbraw/zinc/32/15/12/674321512.db2.gz	IWILWJNWMPSSLA-ZWKOTPCHSA-N	1	0	365.499	1.483	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc3c2oc(=O)n3C)c1C#N	ZINC000534795617	490410758	/nfs/dbraw/zinc/41/07/58/490410758.db2.gz	ZRHGPWOXYHZYOQ-UHFFFAOYSA-N	1	0	354.370	1.131	20	30		FDEDRO
C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1	ZINC000509754472	490461198	/nfs/dbraw/zinc/46/11/98/490461198.db2.gz	GZNYGPNOZRPTBR-NSHDSACASA-N	1	0	374.832	1.402	20	30		FDEDRO
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)n1	ZINC000538074133	490708983	/nfs/dbraw/zinc/70/89/83/490708983.db2.gz	URLDPFJZMTZWIY-LBPRGKRZSA-N	1	0	358.446	1.049	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)nn1CCC#N	ZINC000504529875	490803631	/nfs/dbraw/zinc/80/36/31/490803631.db2.gz	LAYYHFGIAIXKEN-UHFFFAOYSA-N	1	0	358.446	1.131	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C[C@@H]1C	ZINC000505047543	490817798	/nfs/dbraw/zinc/81/77/98/490817798.db2.gz	GLNIDQOUROTSST-ZFWWWQNUSA-N	1	0	360.462	1.375	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1C#N	ZINC000543704598	490943086	/nfs/dbraw/zinc/94/30/86/490943086.db2.gz	TYPBDAZOVACODI-UHFFFAOYSA-N	1	0	372.341	1.323	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](CO)c2ccc(Br)cc2)CC1	ZINC000271267183	674329791	/nfs/dbraw/zinc/32/97/91/674329791.db2.gz	CLISVKFGWLXRRW-MRXNPFEDSA-N	1	0	365.271	1.944	20	30		FDEDRO
COCC[N@H+](C)CCN1C[C@H](Nc2nc(C#N)c(Cl)s2)CC1=O	ZINC000601177944	491898595	/nfs/dbraw/zinc/89/85/95/491898595.db2.gz	FVURDQBWNCNLRB-SNVBAGLBSA-N	1	0	357.867	1.259	20	30		FDEDRO
CN(C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@@H]1CCC[C@H]1C#N	ZINC000602065981	491959264	/nfs/dbraw/zinc/95/92/64/491959264.db2.gz	FQOFEUMSVGQOLM-DZGCQCFKSA-N	1	0	358.446	1.239	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(C(=O)NC)CC2)c(OC)c1	ZINC000025755323	519080745	/nfs/dbraw/zinc/08/07/45/519080745.db2.gz	PQXRTHWGCVVFBY-QGZVFWFLSA-N	1	0	362.470	1.621	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CCCC1	ZINC000056530104	521877291	/nfs/dbraw/zinc/87/72/91/521877291.db2.gz	JTERMLNLJUWUQO-UHFFFAOYSA-N	1	0	363.483	1.464	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1	ZINC000044985934	522024130	/nfs/dbraw/zinc/02/41/30/522024130.db2.gz	ICNUUAWCOFWEFE-UHFFFAOYSA-N	1	0	363.483	1.462	20	30		FDEDRO
CC(C)OC(=O)CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000045215625	522055128	/nfs/dbraw/zinc/05/51/28/522055128.db2.gz	ZFUOJEABCNVSOQ-UHFFFAOYSA-N	1	0	360.458	1.973	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)c3cc(C)oc3C)CC2)CC1	ZINC000057437052	522088692	/nfs/dbraw/zinc/08/86/92/522088692.db2.gz	IKSDONYRCWZKQB-UHFFFAOYSA-N	1	0	357.454	1.526	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@H]([NH+]2CCCC2)C1	ZINC000060374026	522368860	/nfs/dbraw/zinc/36/88/60/522368860.db2.gz	VRJFTZBMQMUOJG-KRWDZBQOSA-N	1	0	366.469	1.847	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCC[NH+]2CCCCC2)cc1	ZINC000047141147	522455026	/nfs/dbraw/zinc/45/50/26/522455026.db2.gz	UQIGXFMETYFRJA-UHFFFAOYSA-N	1	0	351.472	1.367	20	30		FDEDRO
C[C@H](C(=O)N1CCN(CC#N)CC1)[NH+]1CCC(Cc2ccccc2)CC1	ZINC000073099699	522467889	/nfs/dbraw/zinc/46/78/89/522467889.db2.gz	ZABLUMYUXUMMSZ-GOSISDBHSA-N	1	0	354.498	1.997	20	30		FDEDRO
CC[NH+]1CCN(CC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000073514669	522542332	/nfs/dbraw/zinc/54/23/32/522542332.db2.gz	MLUKWWRFBLLUSL-KRWDZBQOSA-N	1	0	373.476	1.420	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CC1(N2CCOCC2)CCCCC1	ZINC000073884294	522626435	/nfs/dbraw/zinc/62/64/35/522626435.db2.gz	SPRZINATASAVEE-OAHLLOKOSA-N	1	0	352.479	1.011	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)c1	ZINC000074090591	522672323	/nfs/dbraw/zinc/67/23/23/522672323.db2.gz	VQUFFTHVLGETFD-UHFFFAOYSA-N	1	0	367.428	1.921	20	30		FDEDRO
C[NH+](C)CCN1C[C@H](C(=O)Nc2cccc(OCCCC#N)c2)CC1=O	ZINC000074224745	522722515	/nfs/dbraw/zinc/72/25/15/522722515.db2.gz	OUFXRQKREQHJBQ-OAHLLOKOSA-N	1	0	358.442	1.718	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC000049131994	522816678	/nfs/dbraw/zinc/81/66/78/522816678.db2.gz	ZDRXESNBIXTUOT-OAHLLOKOSA-N	1	0	358.442	1.908	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(c2ncccc2C#N)CC1)[NH+]1CCC(C)CC1	ZINC000065477383	522827433	/nfs/dbraw/zinc/82/74/33/522827433.db2.gz	DIXGITODUDSJTP-QGZVFWFLSA-N	1	0	370.501	1.905	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1	ZINC000065638441	522855497	/nfs/dbraw/zinc/85/54/97/522855497.db2.gz	FPHZPPXVFDJIMM-HNNXBMFYSA-N	1	0	372.469	1.387	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C	ZINC000050145523	522890675	/nfs/dbraw/zinc/89/06/75/522890675.db2.gz	XZPTTZKRJCUJIL-AWEZNQCLSA-N	1	0	372.450	1.986	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1	ZINC000050174099	522898941	/nfs/dbraw/zinc/89/89/41/522898941.db2.gz	SDMPYXBKBYXLEM-UONOGXRCSA-N	1	0	358.442	1.742	20	30		FDEDRO
N#CCCC[NH+]1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000050275390	522906305	/nfs/dbraw/zinc/90/63/05/522906305.db2.gz	TXWFZQCZJBZPCW-UHFFFAOYSA-N	1	0	350.444	1.288	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCCNC(=O)C1CC1	ZINC000065930541	522922256	/nfs/dbraw/zinc/92/22/56/522922256.db2.gz	QDIQEVGETZQSHQ-UHFFFAOYSA-N	1	0	356.470	1.755	20	30		FDEDRO
CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000066126507	522961772	/nfs/dbraw/zinc/96/17/72/522961772.db2.gz	KJICZWIDOUUIOM-CQSZACIVSA-N	1	0	366.487	1.339	20	30		FDEDRO
N#Cc1cnn(-c2ccc(C(=O)NCCCC[NH+]3CCOCC3)cc2)c1N	ZINC000066240661	522995085	/nfs/dbraw/zinc/99/50/85/522995085.db2.gz	MRTBOCOWIBQMOQ-UHFFFAOYSA-N	1	0	368.441	1.168	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1	ZINC000076227569	523050616	/nfs/dbraw/zinc/05/06/16/523050616.db2.gz	WELQVQFRXJAKCW-UHFFFAOYSA-N	1	0	359.401	1.519	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1	ZINC000076272357	523061498	/nfs/dbraw/zinc/06/14/98/523061498.db2.gz	OSGHLRRREYOLFM-OAHLLOKOSA-N	1	0	359.401	1.473	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1	ZINC000066526050	523093732	/nfs/dbraw/zinc/09/37/32/523093732.db2.gz	VDLDHCPMWQMVSN-UHFFFAOYSA-N	1	0	351.454	1.383	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNc2ncc([N+](=O)[O-])cc2C#N)c1	ZINC000066816487	523206266	/nfs/dbraw/zinc/20/62/66/523206266.db2.gz	WVWMVDIOGXAAFZ-UHFFFAOYSA-N	1	0	368.397	1.765	20	30		FDEDRO
N#Cc1ccccc1N1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1	ZINC000076982095	523224965	/nfs/dbraw/zinc/22/49/65/523224965.db2.gz	MGQBHQOKZXTTTC-SFHVURJKSA-N	1	0	353.470	1.874	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]([NH+](C)C)C2)ccc1F	ZINC000067045094	523304469	/nfs/dbraw/zinc/30/44/69/523304469.db2.gz	WUVGTNTYCIXJRA-AWEZNQCLSA-N	1	0	369.462	1.456	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1	ZINC000053050329	523334841	/nfs/dbraw/zinc/33/48/41/523334841.db2.gz	CCBZAFWFCCCLPO-UHFFFAOYSA-N	1	0	374.460	1.916	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCN(c2cc[nH+]cc2)CC1	ZINC000053287478	523393634	/nfs/dbraw/zinc/39/36/34/523393634.db2.gz	DKCYSFRBMJGHGK-UHFFFAOYSA-N	1	0	352.394	1.689	20	30		FDEDRO
Cn1c(NC[C@H]2CCC[N@@H+]2CC2CCCCC2)c(C#N)c(=O)n(C)c1=O	ZINC000067373406	523412366	/nfs/dbraw/zinc/41/23/66/523412366.db2.gz	HKWHBPXTGUBELP-OAHLLOKOSA-N	1	0	359.474	1.412	20	30		FDEDRO
O=C(NCCC[NH+]1CCCCC1)C(=O)Nc1ncn(Cc2ccccc2)n1	ZINC000077692565	523416473	/nfs/dbraw/zinc/41/64/73/523416473.db2.gz	XWXZSCAMHLFZPO-UHFFFAOYSA-N	1	0	370.457	1.907	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(=O)n(CC)c1)C(C)C	ZINC000077707088	523425440	/nfs/dbraw/zinc/42/54/40/523425440.db2.gz	QFYXMXOACIEGTE-QGZVFWFLSA-N	1	0	374.485	1.622	20	30		FDEDRO
C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000077740012	523439110	/nfs/dbraw/zinc/43/91/10/523439110.db2.gz	BLMSQUAVNRBIGS-INIZCTEOSA-N	1	0	364.449	1.876	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Cn2cnc(C#N)n2)cc1	ZINC000053620627	523476035	/nfs/dbraw/zinc/47/60/35/523476035.db2.gz	WSRMIWNNDRRQJT-OAHLLOKOSA-N	1	0	352.442	1.841	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[N@@H+](C(C)C)CC2)cc1	ZINC000068800753	523862374	/nfs/dbraw/zinc/86/23/74/523862374.db2.gz	FCIXFUMARVRQOF-UHFFFAOYSA-N	1	0	365.499	1.707	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2cccc(C#N)c2)C1	ZINC000080794381	523906315	/nfs/dbraw/zinc/90/63/15/523906315.db2.gz	YRCXCGDCKRHXGM-MRXNPFEDSA-N	1	0	351.472	1.680	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)Nc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC000081062910	523937363	/nfs/dbraw/zinc/93/73/63/523937363.db2.gz	OOWSCFNQPQJSNI-INIZCTEOSA-N	1	0	365.437	1.846	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000135383326	524136300	/nfs/dbraw/zinc/13/63/00/524136300.db2.gz	DOLZBZDNWREVOQ-SFHVURJKSA-N	1	0	366.469	1.919	20	30		FDEDRO
C[C@@H]1CN(C[C@@H]2CCCN2S(=O)(=O)c2ccccc2C#N)C[C@H](C)O1	ZINC000156772951	524145040	/nfs/dbraw/zinc/14/50/40/524145040.db2.gz	LCBQMAVHRCEQAH-UXLLHSPISA-N	1	0	363.483	1.821	20	30		FDEDRO
C=C[C@@H](CC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)c1ccccc1	ZINC000135731496	524166023	/nfs/dbraw/zinc/16/60/23/524166023.db2.gz	PFJUDOXBBRSGAS-INIZCTEOSA-N	1	0	369.469	1.859	20	30		FDEDRO
C=C[C@H](CC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)c1ccccc1	ZINC000135731455	524167135	/nfs/dbraw/zinc/16/71/35/524167135.db2.gz	PFJUDOXBBRSGAS-MRXNPFEDSA-N	1	0	369.469	1.859	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2ccc(CC)c(S(N)(=O)=O)c2)CC1	ZINC000172462091	524226991	/nfs/dbraw/zinc/22/69/91/524226991.db2.gz	JJIGDRTVZXDYIY-UHFFFAOYSA-N	1	0	366.487	1.668	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1	ZINC000111230849	524228381	/nfs/dbraw/zinc/22/83/81/524228381.db2.gz	PENLDPLKONAPIL-RBUKOAKNSA-N	1	0	350.551	1.901	20	30		FDEDRO
C[C@@H](NS(=O)(=O)CCCC#N)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000111336781	524264027	/nfs/dbraw/zinc/26/40/27/524264027.db2.gz	CSFBQBZHZQXCKI-CQSZACIVSA-N	1	0	368.478	1.862	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000121474388	524268925	/nfs/dbraw/zinc/26/89/25/524268925.db2.gz	FGWPIJWSWSXVKQ-CYBMUJFWSA-N	1	0	374.401	1.076	20	30		FDEDRO
C[NH+](C)C1(CNS(=O)(=O)c2cccc(Cl)c2C#N)CCOCC1	ZINC000157572896	524298576	/nfs/dbraw/zinc/29/85/76/524298576.db2.gz	NRPYLPQSPJITSZ-UHFFFAOYSA-N	1	0	357.863	1.601	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)cc1	ZINC000111696217	524326090	/nfs/dbraw/zinc/32/60/90/524326090.db2.gz	MPTQFHLSGHECBZ-ROUUACIJSA-N	1	0	357.454	1.579	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1	ZINC000121725876	524342094	/nfs/dbraw/zinc/34/20/94/524342094.db2.gz	VYDGYDADCFELIF-PXNSSMCTSA-N	1	0	372.513	1.961	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCCc2cccc(C(=O)N(C)C)c2)CC1	ZINC000173197960	524343597	/nfs/dbraw/zinc/34/35/97/524343597.db2.gz	MHPAGZJSJQCUEJ-UHFFFAOYSA-N	1	0	358.486	1.881	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1	ZINC000142434636	524352902	/nfs/dbraw/zinc/35/29/02/524352902.db2.gz	LTDGUDSHBRHLHX-INIZCTEOSA-N	1	0	363.483	1.461	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1	ZINC000173256125	524357209	/nfs/dbraw/zinc/35/72/09/524357209.db2.gz	HRCMZFAAOOSLJT-GOSISDBHSA-N	1	0	371.485	1.628	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)Nc3ccn(CCC#N)n3)ccn2)CC1	ZINC000173348619	524372374	/nfs/dbraw/zinc/37/23/74/524372374.db2.gz	BMQKTTWDIJRSFJ-UHFFFAOYSA-N	1	0	368.445	1.265	20	30		FDEDRO
C[C@@H]1CN(C(C)(C)CNS(=O)(=O)c2ccccc2C#N)C[C@H](C)O1	ZINC000121835902	524378246	/nfs/dbraw/zinc/37/82/46/524378246.db2.gz	QLRPHXWQBPLTJY-OKILXGFUSA-N	1	0	351.472	1.724	20	30		FDEDRO
N#CCCn1cc(C[NH2+]CC2(C(N)=O)CCOCC2)c(-c2ccccc2)n1	ZINC000086250232	524381597	/nfs/dbraw/zinc/38/15/97/524381597.db2.gz	KCUAGNGZSRBMAG-UHFFFAOYSA-N	1	0	367.453	1.835	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000145626313	524403861	/nfs/dbraw/zinc/40/38/61/524403861.db2.gz	NPPQINYXJDYDQC-MQVJKMGUSA-N	1	0	370.453	1.884	20	30		FDEDRO
COc1ccc(F)cc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000122123320	524454759	/nfs/dbraw/zinc/45/47/59/524454759.db2.gz	UJUIWNANXYEWHA-UHFFFAOYSA-N	1	0	350.394	1.467	20	30		FDEDRO
N#Cc1ccccc1S(=O)(=O)N1CCC(OCC[NH+]2CCCC2)CC1	ZINC000173852912	524469511	/nfs/dbraw/zinc/46/95/11/524469511.db2.gz	BEOLLPVWPRGAHH-UHFFFAOYSA-N	1	0	363.483	1.824	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCc3cccc(O)c3)=[NH+]C[C@H]2C1	ZINC000089120734	524476273	/nfs/dbraw/zinc/47/62/73/524476273.db2.gz	AFAJFHWIKNVJSK-HNNXBMFYSA-N	1	0	360.458	1.815	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NC[C@H](CO)c3ccccc3)=[NH+]C[C@H]2C1	ZINC000089120847	524477091	/nfs/dbraw/zinc/47/70/91/524477091.db2.gz	ILJKVDBKLGZIAR-SJORKVTESA-N	1	0	374.485	1.643	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)CC1	ZINC000150832584	524494350	/nfs/dbraw/zinc/49/43/50/524494350.db2.gz	DTOLAGLSGJIGJD-UHFFFAOYSA-N	1	0	357.429	1.342	20	30		FDEDRO
C[NH+]=C(NC[C@H](C)Oc1ccccc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158598854	524498042	/nfs/dbraw/zinc/49/80/42/524498042.db2.gz	HLRVCDVSSFEEEW-AWEZNQCLSA-N	1	0	353.488	1.538	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1	ZINC000122353979	524515552	/nfs/dbraw/zinc/51/55/52/524515552.db2.gz	HRFKMXXWEFGTFZ-CRAIPNDOSA-N	1	0	355.438	1.580	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2Cc3ccccc3N2C(C)=O)c1C#N	ZINC000089673887	524517804	/nfs/dbraw/zinc/51/78/04/524517804.db2.gz	LEJFOXUYAOYNDG-KRWDZBQOSA-N	1	0	366.425	1.350	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-n3ccnn3)cc2)c1C#N	ZINC000089675152	524519933	/nfs/dbraw/zinc/51/99/33/524519933.db2.gz	QJGAHSPKEATFBV-UHFFFAOYSA-N	1	0	350.386	1.266	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CCCNC(=O)c2ccccc2)c1C#N	ZINC000089677427	524520428	/nfs/dbraw/zinc/52/04/28/524520428.db2.gz	YLOKMLCGPVNGIA-UHFFFAOYSA-N	1	0	368.441	1.582	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)Cc2cccc(OCC#N)c2)CC1	ZINC000089821545	524531986	/nfs/dbraw/zinc/53/19/86/524531986.db2.gz	PHBPQBWBCVGIJL-LJQANCHMSA-N	1	0	370.497	1.760	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@@H](N2CCN(c3cc[nH+]cc3)CC2)C1=O	ZINC000151336946	524554443	/nfs/dbraw/zinc/55/44/43/524554443.db2.gz	ZBERHNKOQVIZFJ-MRXNPFEDSA-N	1	0	353.451	1.942	20	30		FDEDRO
Cc1ccc(C)c(OC[C@@H](O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1	ZINC000089942487	524554962	/nfs/dbraw/zinc/55/49/62/524554962.db2.gz	RUQPRHBBPZEJIB-HNNXBMFYSA-N	1	0	357.458	1.785	20	30		FDEDRO
CC[C@H](CO)[NH+]1CCN(Cc2c(C#N)c(C)nn2-c2ccccc2)CC1	ZINC000091070852	524633414	/nfs/dbraw/zinc/63/34/14/524633414.db2.gz	GEYKAGOHXJFNSY-QGZVFWFLSA-N	1	0	353.470	1.941	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1C#N	ZINC000174613209	524651965	/nfs/dbraw/zinc/65/19/65/524651965.db2.gz	WNLHOADTHIKIIX-GJZGRUSLSA-N	1	0	358.442	1.421	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)n1	ZINC000091203783	524660822	/nfs/dbraw/zinc/66/08/22/524660822.db2.gz	HQJWKYCZURBLQT-UHFFFAOYSA-N	1	0	358.446	1.361	20	30		FDEDRO
C[C@@H](CNC(=O)CCCC(=O)Nc1ccccc1C#N)N1CC[NH+](C)CC1	ZINC000151728273	524665714	/nfs/dbraw/zinc/66/57/14/524665714.db2.gz	BICPPJVJZQHTNC-INIZCTEOSA-N	1	0	371.485	1.419	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)n1	ZINC000091243087	524678293	/nfs/dbraw/zinc/67/82/93/524678293.db2.gz	HXTULIOAIKWCKF-UHFFFAOYSA-N	1	0	362.478	1.899	20	30		FDEDRO
C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(C)(CO)CO	ZINC000159538505	524693187	/nfs/dbraw/zinc/69/31/87/524693187.db2.gz	KXLFSNKNXRDDOI-UHFFFAOYSA-N	1	0	365.499	1.750	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)c1cnn(-c2ccccc2)c1	ZINC000113874628	524724181	/nfs/dbraw/zinc/72/41/81/524724181.db2.gz	KUGDLLNCCKVCBF-UHFFFAOYSA-N	1	0	353.426	1.749	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+]C[C@@]3(N4CCOCC4)CCSC3)n2c1	ZINC000123420081	524748179	/nfs/dbraw/zinc/74/81/79/524748179.db2.gz	WPWJQFQLUOXVNI-SFHVURJKSA-N	1	0	357.483	1.503	20	30		FDEDRO
CN1CC[NH+]([C@@H]2CCCCN(CC(=O)Nc3cccc(C#N)c3)C2)CC1	ZINC000174891608	524782048	/nfs/dbraw/zinc/78/20/48/524782048.db2.gz	LDVWFUWJPSMICN-LJQANCHMSA-N	1	0	355.486	1.599	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)[N@H+](C)C1CC1	ZINC000114595828	524837781	/nfs/dbraw/zinc/83/77/81/524837781.db2.gz	NTHLSSPCTGCMCZ-QFBILLFUSA-N	1	0	355.486	1.889	20	30		FDEDRO
C#CCOc1ccc(C[NH+]2CCC(C(=O)NCC(=O)OCC)CC2)cc1	ZINC000092064594	524838233	/nfs/dbraw/zinc/83/82/33/524838233.db2.gz	DNJWNRMLSWDTNQ-UHFFFAOYSA-N	1	0	358.438	1.590	20	30		FDEDRO
COc1ccc(N2CC[NH+](CCCNC(=O)c3cc(C#N)c[nH]3)CC2)cc1	ZINC000175131516	524881325	/nfs/dbraw/zinc/88/13/25/524881325.db2.gz	LHQFSVBJKVPSGU-UHFFFAOYSA-N	1	0	367.453	1.837	20	30		FDEDRO
CN1CC[N@H+](CCCNC(=O)c2cc(C#N)c[nH]2)[C@H](c2ccccc2)C1	ZINC000175262903	524922654	/nfs/dbraw/zinc/92/26/54/524922654.db2.gz	ARYVLEFMRFQWJT-IBGZPJMESA-N	1	0	351.454	1.995	20	30		FDEDRO
CN(C)c1ncccc1CNS(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000124241802	524938607	/nfs/dbraw/zinc/93/86/07/524938607.db2.gz	QYDZMPPTYVNFIR-UHFFFAOYSA-N	1	0	352.366	1.776	20	30		FDEDRO
N#CCN1CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC1	ZINC000152723567	524982403	/nfs/dbraw/zinc/98/24/03/524982403.db2.gz	JCWFCQQWVOLZBM-UHFFFAOYSA-N	1	0	355.486	1.257	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CSc2ccc(C#N)cc2)CC1	ZINC000153192571	525136538	/nfs/dbraw/zinc/13/65/38/525136538.db2.gz	HACDEZGLFBTOOA-QGZVFWFLSA-N	1	0	372.494	1.415	20	30		FDEDRO
C#CCN1C(=O)[C@@H](CC(=O)NCCC[NH+](C)C)S/C1=N/c1ccccc1	ZINC000125125258	525145636	/nfs/dbraw/zinc/14/56/36/525145636.db2.gz	ARNBVVJTBVDORB-QQMHEVNUSA-N	1	0	372.494	1.709	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153337015	525182950	/nfs/dbraw/zinc/18/29/50/525182950.db2.gz	KMYQYQSNLDRDSG-NSHDSACASA-N	1	0	371.401	1.663	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)N1CCc2ccccc2C1	ZINC000125462721	525201803	/nfs/dbraw/zinc/20/18/03/525201803.db2.gz	OCHJFCBKFCZWCQ-UHFFFAOYSA-N	1	0	352.442	1.313	20	30		FDEDRO
CC(=O)c1ccc(NC(=O)[C@@H](C)N(C)CCCc2[nH]nc(N)c2C#N)cc1	ZINC000125475638	525205403	/nfs/dbraw/zinc/20/54/03/525205403.db2.gz	LTQNQUJLYYFPOD-GFCCVEGCSA-N	1	0	368.441	1.958	20	30		FDEDRO
C[C@](C#N)(NC(=O)CN1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1)C1CC1	ZINC000101922647	525259444	/nfs/dbraw/zinc/25/94/44/525259444.db2.gz	PXNZPGTZLLXPHH-QFBILLFUSA-N	1	0	373.432	1.830	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC[N@@H+](C)C(C)C)cc1	ZINC000102061533	525272372	/nfs/dbraw/zinc/27/23/72/525272372.db2.gz	MEECDRBPERCCFX-UHFFFAOYSA-N	1	0	368.503	1.955	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1	ZINC000126103486	525274132	/nfs/dbraw/zinc/27/41/32/525274132.db2.gz	FYUPIBGHTWSZIS-YOEHRIQHSA-N	1	0	365.499	1.563	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1	ZINC000177490441	525300271	/nfs/dbraw/zinc/30/02/71/525300271.db2.gz	SFQXZXZPUQFBPX-JKSUJKDBSA-N	1	0	365.499	1.754	20	30		FDEDRO
COc1cc(C#N)ccc1OCCN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000162775439	525315947	/nfs/dbraw/zinc/31/59/47/525315947.db2.gz	XQGAJRMYTQSHGK-QGZVFWFLSA-N	1	0	372.469	1.184	20	30		FDEDRO
Cc1cc(C)n(CCCNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)n1	ZINC000104154120	525397120	/nfs/dbraw/zinc/39/71/20/525397120.db2.gz	AQVVJJWJKATLNL-UHFFFAOYSA-N	1	0	364.494	1.757	20	30		FDEDRO
C[NH+]=C(NCCCc1ccc(OC)c(OC)c1)NCCN1CCOCC1	ZINC000104181035	525398096	/nfs/dbraw/zinc/39/80/96/525398096.db2.gz	BPJMYYHZHSMBRF-UHFFFAOYSA-N	1	0	364.490	1.134	20	30		FDEDRO
CCN1CC[NH+](CCCCNC(=O)C(=O)Nc2cccc(C#N)c2C)CC1	ZINC000178418579	525426068	/nfs/dbraw/zinc/42/60/68/525426068.db2.gz	QIEUSIGLEAZCGL-UHFFFAOYSA-N	1	0	371.485	1.339	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2ccc(N3CCOCC3)nc2C)CC1	ZINC000178466716	525433206	/nfs/dbraw/zinc/43/32/06/525433206.db2.gz	LHTSLLZPWPRKDF-UHFFFAOYSA-N	1	0	359.474	1.999	20	30		FDEDRO
CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000127549868	525435181	/nfs/dbraw/zinc/43/51/81/525435181.db2.gz	CIJQRUWPXKZJQS-ZQIUZPCESA-N	1	0	363.483	1.633	20	30		FDEDRO
CC[C@@H]1CN(S(=O)(=O)Cc2cc(C#N)ccc2F)CCN1C[C@@H](C)O	ZINC000163860552	525456971	/nfs/dbraw/zinc/45/69/71/525456971.db2.gz	ZSHLSJBSTWAWRM-CZUORRHYSA-N	1	0	369.462	1.304	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)cc1	ZINC000118131091	525479546	/nfs/dbraw/zinc/47/95/46/525479546.db2.gz	XPYHJLAJWRXGIM-UHFFFAOYSA-N	1	0	372.469	1.532	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccnn2Cc2ccc(C)o2)CC1	ZINC000178866045	525495844	/nfs/dbraw/zinc/49/58/44/525495844.db2.gz	ZUPHMQPKZNPIGT-UHFFFAOYSA-N	1	0	371.441	1.538	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1C(F)(F)F	ZINC000154363131	525509776	/nfs/dbraw/zinc/50/97/76/525509776.db2.gz	SDMDEZXCWWTECV-CQSZACIVSA-N	1	0	359.373	1.951	20	30		FDEDRO
CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000154431259	525531348	/nfs/dbraw/zinc/53/13/48/525531348.db2.gz	YMRIATLUHHBRGE-HNNXBMFYSA-N	1	0	374.489	1.781	20	30		FDEDRO
COCCC1(CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)CC1	ZINC000128569655	525557973	/nfs/dbraw/zinc/55/79/73/525557973.db2.gz	YPDDITLXEBUZCH-AWEZNQCLSA-N	1	0	352.479	1.684	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)NC(=O)c2[nH]nc3ccccc32)CC1	ZINC000106290863	525688320	/nfs/dbraw/zinc/68/83/20/525688320.db2.gz	LKLQXTYPEDZBTO-AWEZNQCLSA-N	1	0	369.469	1.838	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CNC(=O)c2ccc(F)cc2F)CC1	ZINC000106291034	525688873	/nfs/dbraw/zinc/68/88/73/525688873.db2.gz	CNQRJCIQVLKRNT-UHFFFAOYSA-N	1	0	351.397	1.851	20	30		FDEDRO
CC(C)C[C@H](NC(=O)NCc1ccc(C#N)cc1)C(=O)NCC[NH+](C)C	ZINC000119340218	525712972	/nfs/dbraw/zinc/71/29/72/525712972.db2.gz	YGLUMTHLFFKJML-KRWDZBQOSA-N	1	0	359.474	1.450	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1	ZINC000106583308	525762784	/nfs/dbraw/zinc/76/27/84/525762784.db2.gz	KNPZFGDZHBYGMU-OAHLLOKOSA-N	1	0	359.474	1.360	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)CN1CC[NH+](C)CC1	ZINC000106582379	525763675	/nfs/dbraw/zinc/76/36/75/525763675.db2.gz	SZIOVXPIMLTUSK-QGZVFWFLSA-N	1	0	373.501	1.352	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1C(N)=O	ZINC000130784659	525794071	/nfs/dbraw/zinc/79/40/71/525794071.db2.gz	LKDNQZKRHBZKFM-PMPSAXMXSA-N	1	0	372.469	1.964	20	30		FDEDRO
CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(C#N)cc2)cc1	ZINC000181054088	525798793	/nfs/dbraw/zinc/79/87/93/525798793.db2.gz	FTGKTZOBKNOKCT-ACJLOTCBSA-N	1	0	359.451	1.851	20	30		FDEDRO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCO[C@H](C[NH+](C)C)C1	ZINC000155278981	525804817	/nfs/dbraw/zinc/80/48/17/525804817.db2.gz	YWTCLCKOTKLHOS-QWHCGFSZSA-N	1	0	362.499	1.698	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccccc2)CC1	ZINC000155299378	525812864	/nfs/dbraw/zinc/81/28/64/525812864.db2.gz	NFYVCZYHARRDOM-VQTJNVASSA-N	1	0	356.466	1.683	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000181243120	525826189	/nfs/dbraw/zinc/82/61/89/525826189.db2.gz	WMRYAYXRYRXECJ-GOSISDBHSA-N	1	0	358.486	1.842	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)CC1	ZINC000171126213	525859436	/nfs/dbraw/zinc/85/94/36/525859436.db2.gz	CCNCVGSPDJSIDW-UHFFFAOYSA-N	1	0	374.485	1.413	20	30		FDEDRO
C[N@H+](CC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[C@@H]1CCSC1	ZINC000131741296	525896820	/nfs/dbraw/zinc/89/68/20/525896820.db2.gz	NIRKZLZZKVMBIN-MRXNPFEDSA-N	1	0	359.499	1.476	20	30		FDEDRO
CC1(C)CN(CCNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CCO1	ZINC000171298083	525935195	/nfs/dbraw/zinc/93/51/95/525935195.db2.gz	YHCRSWVOAHDTBT-UHFFFAOYSA-N	1	0	364.833	1.377	20	30		FDEDRO
CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)C1	ZINC000181882850	525967807	/nfs/dbraw/zinc/96/78/07/525967807.db2.gz	ISJAEYFNWXMOFT-GJZGRUSLSA-N	1	0	358.442	1.716	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C	ZINC000181885407	525970077	/nfs/dbraw/zinc/97/00/77/525970077.db2.gz	BFWMWZRMBHNZPD-ZNMIVQPWSA-N	1	0	356.426	1.611	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@H]([NH+]3CCCCC3)C2)cc1	ZINC000108450812	525972500	/nfs/dbraw/zinc/97/25/00/525972500.db2.gz	ZYRWMWLJVWXFCS-SFHVURJKSA-N	1	0	354.454	1.765	20	30		FDEDRO
CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCC(=O)N(C)CCC#N)c1	ZINC000181942358	525991235	/nfs/dbraw/zinc/99/12/35/525991235.db2.gz	CVEMEGDXZYYRNP-ZDUSSCGKSA-N	1	0	352.460	1.007	20	30		FDEDRO
COCCN(CCC#N)C(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1	ZINC000132911308	526003686	/nfs/dbraw/zinc/00/36/86/526003686.db2.gz	CLAZYPUDXAMQES-UHFFFAOYSA-N	1	0	372.469	2.000	20	30		FDEDRO
C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCCCCC#N)c2)CC1	ZINC000171473580	526005618	/nfs/dbraw/zinc/00/56/18/526005618.db2.gz	BCPSNWFOHKATRF-UHFFFAOYSA-N	1	0	357.458	1.183	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1	ZINC000108783652	526022979	/nfs/dbraw/zinc/02/29/79/526022979.db2.gz	VWODIMLVHSKAJB-OAHLLOKOSA-N	1	0	366.469	1.751	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)/C=C/c2ccccc2C#N)CC1	ZINC000171560487	526036408	/nfs/dbraw/zinc/03/64/08/526036408.db2.gz	AFBWJJQJNVEKNB-MDZDMXLPSA-N	1	0	354.454	1.584	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCCN2C(=O)c3ccccc3C2=O)CC1	ZINC000171560590	526037105	/nfs/dbraw/zinc/03/71/05/526037105.db2.gz	FPZIZVJNQSGGKU-UHFFFAOYSA-N	1	0	370.453	1.622	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(N3CCCCC3=O)CC2)cc1	ZINC000120443185	526065969	/nfs/dbraw/zinc/06/59/69/526065969.db2.gz	LIHGATOSXSDRST-IBGZPJMESA-N	1	0	371.481	1.969	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)N[C@@H]1CCCN(c2ccccc2C#N)C1	ZINC000109168297	526085765	/nfs/dbraw/zinc/08/57/65/526085765.db2.gz	DYBGPMZCLSUXRG-GOSISDBHSA-N	1	0	373.501	1.795	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC2CCN(C(=O)c3ccoc3)CC2)CC1	ZINC000171708174	526087206	/nfs/dbraw/zinc/08/72/06/526087206.db2.gz	SMXJOISXNKOZEY-UHFFFAOYSA-N	1	0	360.458	1.834	20	30		FDEDRO
C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1	ZINC000171768094	526114992	/nfs/dbraw/zinc/11/49/92/526114992.db2.gz	PAFSRHQJBIJVDB-OAHLLOKOSA-N	1	0	359.449	1.871	20	30		FDEDRO
COC(=O)CN(CC#N)C(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1	ZINC000120605024	526126574	/nfs/dbraw/zinc/12/65/74/526126574.db2.gz	CFYYPYPIZQNUDC-MRXNPFEDSA-N	1	0	357.454	1.855	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)OCC)CC1	ZINC000171815881	526133666	/nfs/dbraw/zinc/13/36/66/526133666.db2.gz	MKZYGARDGCQWAJ-IBGZPJMESA-N	1	0	356.466	1.964	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCCCNC(=O)c2ccc(F)cc2)CC1	ZINC000171907801	526179425	/nfs/dbraw/zinc/17/94/25/526179425.db2.gz	XICWJECMGMXLSA-UHFFFAOYSA-N	1	0	362.449	1.895	20	30		FDEDRO
N#Cc1c(NC(=O)CC[N@@H+](CCO)CCCO)sc2c1CCCCC2	ZINC000109797951	526188556	/nfs/dbraw/zinc/18/85/56/526188556.db2.gz	LIGLVUQUVCYANS-UHFFFAOYSA-N	1	0	365.499	1.894	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H]2CCCN(c3cc(CC)ncn3)C2)CC1	ZINC000171969538	526196422	/nfs/dbraw/zinc/19/64/22/526196422.db2.gz	RWTYBSQIHIIZGC-SFHVURJKSA-N	1	0	372.517	1.957	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+]C3[C@H](C)CCC[C@H]3C)CC2)o1	ZINC000182735354	535854173	/nfs/dbraw/zinc/85/41/73/535854173.db2.gz	JPPZFTBMFGFBAT-ZIAGYGMSSA-N	1	0	359.474	1.918	20	30		FDEDRO
C[C@@H](C#N)CNC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000182814449	535867423	/nfs/dbraw/zinc/86/74/23/535867423.db2.gz	VALYXJJLFZPHQP-ZWKOTPCHSA-N	1	0	370.501	1.785	20	30		FDEDRO
C=CC[C@@H](CO)NC(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1	ZINC000183079245	535916015	/nfs/dbraw/zinc/91/60/15/535916015.db2.gz	UXPDLWRRWHXUFT-SFHVURJKSA-N	1	0	360.502	1.743	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1	ZINC000183182582	535937241	/nfs/dbraw/zinc/93/72/41/535937241.db2.gz	OSNBKBSQCHNDEO-GOSISDBHSA-N	1	0	359.470	1.910	20	30		FDEDRO
C[C@](C#N)(NC(=O)CN[C@@H](CO)c1cccc(Br)c1)C1CC1	ZINC000183910703	536065181	/nfs/dbraw/zinc/06/51/81/536065181.db2.gz	BPPLYAKRFRKILR-GOEBONIOSA-N	1	0	366.259	1.881	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccccc1CN1CCNC1=O	ZINC000183978671	536075444	/nfs/dbraw/zinc/07/54/44/536075444.db2.gz	RRXOSTVDDIMSMD-UHFFFAOYSA-N	1	0	372.473	1.911	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCNC(=O)[C@H]2c2ccc(F)cc2C)CC1	ZINC000184868796	536188684	/nfs/dbraw/zinc/18/86/84/536188684.db2.gz	HCANQBYIPMECQF-GOSISDBHSA-N	1	0	374.460	1.967	20	30		FDEDRO
C[C@](O)(CNC(=[NH2+])NCCCN1CCOCC1)c1cccc(Cl)c1	ZINC000184878400	536189349	/nfs/dbraw/zinc/18/93/49/536189349.db2.gz	RTNJYQPZVLIGLP-KRWDZBQOSA-N	1	0	354.882	1.174	20	30		FDEDRO
COCCNS(=O)(=O)c1cccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)c1	ZINC000185837458	536218884	/nfs/dbraw/zinc/21/88/84/536218884.db2.gz	JXDHBJAQUOJIOI-ZBFHGGJFSA-N	1	0	351.472	1.783	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NC[C@H](c1ccccc1)C(F)(F)F	ZINC000185954395	536222499	/nfs/dbraw/zinc/22/24/99/536222499.db2.gz	BLRVQJOBQCDGOR-OAHLLOKOSA-N	1	0	358.408	1.959	20	30		FDEDRO
C=CC[C@@H](CO)NC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1	ZINC000186028587	536223776	/nfs/dbraw/zinc/22/37/76/536223776.db2.gz	BBOOSYNZOPGTFB-INIZCTEOSA-N	1	0	364.465	1.704	20	30		FDEDRO
C#C[C@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000186092438	536225146	/nfs/dbraw/zinc/22/51/46/536225146.db2.gz	OWWWKTZTILRVEU-ROUUACIJSA-N	1	0	355.486	1.647	20	30		FDEDRO
N#Cc1ccc(C2(C(=O)N3CCN(CC[NH+]4CCCC4)CC3)CC2)cc1	ZINC000187338639	536262497	/nfs/dbraw/zinc/26/24/97/536262497.db2.gz	ZAYFBHHFRXVQAV-UHFFFAOYSA-N	1	0	352.482	1.830	20	30		FDEDRO
CC[NH+]=C(NCc1sc(C)nc1C)NC[C@H]1CCc2nnc(C)n2C1	ZINC000262797496	536904247	/nfs/dbraw/zinc/90/42/47/536904247.db2.gz	PUFXQHVRFQNUAC-CQSZACIVSA-N	1	0	361.519	1.978	20	30		FDEDRO
COC(=O)c1ccoc1CO[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1	ZINC000266614095	536910702	/nfs/dbraw/zinc/91/07/02/536910702.db2.gz	IZSKJFMKPKGXSU-UHFFFAOYSA-N	1	0	373.409	1.864	20	30		FDEDRO
C[NH+]=C(NCCN1CCc2sccc2C1)NCc1c(C)nn(C)c1C	ZINC000262832237	536914223	/nfs/dbraw/zinc/91/42/23/536914223.db2.gz	RSHMMFUBTCFNFP-UHFFFAOYSA-N	1	0	360.531	1.822	20	30		FDEDRO
C[NH+]=C(NCCNC(=O)c1ccc(O)cc1)N[C@@H]1CCOc2ccccc21	ZINC000262853334	536921185	/nfs/dbraw/zinc/92/11/85/536921185.db2.gz	XLYILRDGPMGWQI-QGZVFWFLSA-N	1	0	368.437	1.811	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-c3csnn3)cc2)CC1	ZINC000266800836	536933687	/nfs/dbraw/zinc/93/36/87/536933687.db2.gz	XQNFNIGKFGPGOG-UHFFFAOYSA-N	1	0	371.466	1.910	20	30		FDEDRO
C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCO[C@@H](C#N)C1	ZINC000246368341	536938125	/nfs/dbraw/zinc/93/81/25/536938125.db2.gz	NWWHULZTMIXARF-APWZRJJASA-N	1	0	356.470	1.380	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1	ZINC000246503428	536968158	/nfs/dbraw/zinc/96/81/58/536968158.db2.gz	QCRPAKOLOAEPRH-WSTZPKSXSA-N	1	0	370.497	1.974	20	30		FDEDRO
C[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H]1N1CCOCC1	ZINC000246515433	536970931	/nfs/dbraw/zinc/97/09/31/536970931.db2.gz	QWOMKHPUGHULPW-AYOQOUSVSA-N	1	0	354.454	1.316	20	30		FDEDRO
C=C(C)CNC(=[NH2+])NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N	ZINC000267387321	536972762	/nfs/dbraw/zinc/97/27/62/536972762.db2.gz	BYMNLZSFJRQCRM-UHFFFAOYSA-N	1	0	355.421	1.878	20	30		FDEDRO
C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCOc1ccc(C#N)cc1	ZINC000188962877	536977932	/nfs/dbraw/zinc/97/79/32/536977932.db2.gz	DVLMYQWYQSZTMP-HNNXBMFYSA-N	1	0	360.458	1.424	20	30		FDEDRO
C=C(C)C[NH+]=C(NCc1ccc([N+](=O)[O-])cc1)N1CCN(C(C)=O)CC1	ZINC000263242279	536999324	/nfs/dbraw/zinc/99/93/24/536999324.db2.gz	LOUABNAJBBNBTN-UHFFFAOYSA-N	1	0	359.430	1.781	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)Cc2cccc(C#N)c2)CC1	ZINC000189116803	536999953	/nfs/dbraw/zinc/99/99/53/536999953.db2.gz	WHVNQGVHUZOAQN-HNNXBMFYSA-N	1	0	350.488	1.004	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2ccc(C#N)cc2Cl)CC1	ZINC000189118976	537000288	/nfs/dbraw/zinc/00/02/88/537000288.db2.gz	MFODQLKSRHGEML-ZDUSSCGKSA-N	1	0	370.906	1.516	20	30		FDEDRO
[NH2+]=C(NC[C@H]1CCCN(c2nccn3cnnc23)C1)Nc1ccccc1	ZINC000263256813	537003353	/nfs/dbraw/zinc/00/33/53/537003353.db2.gz	LECHVGNSUYGSAU-CQSZACIVSA-N	1	0	350.430	1.768	20	30		FDEDRO
C[NH+]=C(NCCNS(=O)(=O)c1cccc(Cl)c1)NC1CCCC1	ZINC000263263306	537003947	/nfs/dbraw/zinc/00/39/47/537003947.db2.gz	UFZYTNKOBCANGZ-UHFFFAOYSA-N	1	0	358.895	1.726	20	30		FDEDRO
C=CCNC(=O)c1ccc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)nc1	ZINC000269299376	537019459	/nfs/dbraw/zinc/01/94/59/537019459.db2.gz	BLVTTZJVZMCQCS-UHFFFAOYSA-N	1	0	371.529	1.992	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H](N2CCOCC2)C1	ZINC000246913136	537050221	/nfs/dbraw/zinc/05/02/21/537050221.db2.gz	ILYGHPGAPKTHPZ-IEBWSBKVSA-N	1	0	356.470	1.728	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)CC1	ZINC000189728393	537086320	/nfs/dbraw/zinc/08/63/20/537086320.db2.gz	ARLDGUBENLQHRG-ROUUACIJSA-N	1	0	361.486	1.194	20	30		FDEDRO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)CC1(O)CCOCC1	ZINC000189752971	537089290	/nfs/dbraw/zinc/08/92/90/537089290.db2.gz	CGPFABFEDKVMJV-UPTPFMHGSA-N	1	0	351.491	1.779	20	30		FDEDRO
C[C@H](O)C[NH+]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1	ZINC000189853966	537106232	/nfs/dbraw/zinc/10/62/32/537106232.db2.gz	RCALHEZNKRAGCA-KRWDZBQOSA-N	1	0	353.470	1.962	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C1	ZINC000247341887	537111332	/nfs/dbraw/zinc/11/13/32/537111332.db2.gz	NOQJXROTULGTHL-HZPDHXFCSA-N	1	0	371.489	1.300	20	30		FDEDRO
CCO[C@H]1C[C@@](CO)([NH2+]CC(=O)N(C)C2(C#N)CCCCC2)C1(C)C	ZINC000190018819	537127634	/nfs/dbraw/zinc/12/76/34/537127634.db2.gz	VDHBRGAOMWWNDR-KXBFYZLASA-N	1	0	351.491	1.827	20	30		FDEDRO
CCO[C@H]1C[C@](CO)([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1(C)C	ZINC000190016332	537127710	/nfs/dbraw/zinc/12/77/10/537127710.db2.gz	ZKXFOHQRLWGDDH-FUHWJXTLSA-N	1	0	366.483	1.488	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)C[NH+]1CCCC1	ZINC000247527198	537129647	/nfs/dbraw/zinc/12/96/47/537129647.db2.gz	ZNMGKHDPDHYIJG-HOTGVXAUSA-N	1	0	371.489	1.300	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C	ZINC000247571520	537135896	/nfs/dbraw/zinc/13/58/96/537135896.db2.gz	HGPLBSODWUEJAH-OLZOCXBDSA-N	1	0	350.850	1.537	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O	ZINC000264298241	537140916	/nfs/dbraw/zinc/14/09/16/537140916.db2.gz	YHMHDQVYJUZBHC-QGZVFWFLSA-N	1	0	360.433	1.873	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)CC1	ZINC000264351186	537142633	/nfs/dbraw/zinc/14/26/33/537142633.db2.gz	BEXCOZOKYUQMMO-GOSISDBHSA-N	1	0	356.470	1.737	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1ccnc(OC2CCCC2)c1	ZINC000264978159	537150748	/nfs/dbraw/zinc/15/07/48/537150748.db2.gz	JKMYJPMUBIEVHJ-UHFFFAOYSA-N	1	0	361.490	1.400	20	30		FDEDRO
CC(C)OCCOC[C@H](O)C[N@H+](C)CCC(=O)Nc1ccccc1C#N	ZINC000265531669	537153951	/nfs/dbraw/zinc/15/39/51/537153951.db2.gz	VKJVNEWBAAAYEP-QGZVFWFLSA-N	1	0	363.458	1.621	20	30		FDEDRO
C#C[C@@H](C)NC(=O)C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000190285937	537161262	/nfs/dbraw/zinc/16/12/62/537161262.db2.gz	OAUHIOAABYRBBA-NVXWUHKLSA-N	1	0	365.437	1.407	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H]1CO	ZINC000190405330	537171606	/nfs/dbraw/zinc/17/16/06/537171606.db2.gz	AEJSLGJUVVZHDZ-CZUORRHYSA-N	1	0	354.372	1.876	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1	ZINC000248556187	537191437	/nfs/dbraw/zinc/19/14/37/537191437.db2.gz	IEDRBJHDNJZLBS-RTBURBONSA-N	1	0	360.502	1.601	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000191071569	537196911	/nfs/dbraw/zinc/19/69/11/537196911.db2.gz	JNBYDIMGUMHLHF-IBGZPJMESA-N	1	0	364.449	1.121	20	30		FDEDRO
C=CCOCCCC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000266377767	537199715	/nfs/dbraw/zinc/19/97/15/537199715.db2.gz	SRKOPWYNQNHFEP-LJQANCHMSA-N	1	0	373.497	1.983	20	30		FDEDRO
CCn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1	ZINC000191538443	537207674	/nfs/dbraw/zinc/20/76/74/537207674.db2.gz	LHCXXGGKMJQSNR-UHFFFAOYSA-N	1	0	370.413	1.887	20	30		FDEDRO
N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1	ZINC000248928169	537221750	/nfs/dbraw/zinc/22/17/50/537221750.db2.gz	XLTBGMWGNLPOEW-FGTMMUONSA-N	1	0	370.501	1.954	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCOc2ccccc21)N1CC[C@H](CN2CCOCC2)C1	ZINC000262775433	537254518	/nfs/dbraw/zinc/25/45/18/537254518.db2.gz	JDECMTLEDHTLBJ-MSOLQXFVSA-N	1	0	372.513	1.782	20	30		FDEDRO
CCNC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1	ZINC000285793682	537287643	/nfs/dbraw/zinc/28/76/43/537287643.db2.gz	ZQMXTLTVLZGRRT-IRXDYDNUSA-N	1	0	361.442	1.899	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000272547867	537295898	/nfs/dbraw/zinc/29/58/98/537295898.db2.gz	MXEMVCFRVIQHNM-IIAWOOMASA-N	1	0	356.426	1.659	20	30		FDEDRO
Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000290282604	537311592	/nfs/dbraw/zinc/31/15/92/537311592.db2.gz	VRVDYAIUZZEUGZ-QGZVFWFLSA-N	1	0	366.469	1.902	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)nn1CCC#N	ZINC000271017331	537394857	/nfs/dbraw/zinc/39/48/57/537394857.db2.gz	FKQQWSWXDATVTK-IFXJQAMLSA-N	1	0	374.489	1.670	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NCCc1ccncc1)C(C)C	ZINC000283959319	537397554	/nfs/dbraw/zinc/39/75/54/537397554.db2.gz	FUWBSGAXXINJRS-GOSISDBHSA-N	1	0	358.486	1.555	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CCS(=O)(=O)c2ccccc21	ZINC000284257254	537405174	/nfs/dbraw/zinc/40/51/74/537405174.db2.gz	LONLUGSGQVXYCV-INIZCTEOSA-N	1	0	363.483	1.642	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1nc2c(s1)CCCC2(C)C	ZINC000293302323	537411810	/nfs/dbraw/zinc/41/18/10/537411810.db2.gz	HOXBCNRPWQVJLE-UHFFFAOYSA-N	1	0	362.499	1.767	20	30		FDEDRO
CCc1nnc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c(C#N)c1CC	ZINC000286295012	537431032	/nfs/dbraw/zinc/43/10/32/537431032.db2.gz	HURPUHZJVPRWDU-GOOCMWNKSA-N	1	0	370.501	1.969	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1	ZINC000293408359	537445736	/nfs/dbraw/zinc/44/57/36/537445736.db2.gz	OYGLSUXRTVWEEA-SFHVURJKSA-N	1	0	373.453	1.254	20	30		FDEDRO
CC#CCN(C)C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC	ZINC000293424753	537452880	/nfs/dbraw/zinc/45/28/80/537452880.db2.gz	LGBFWNNMANGLRN-UHFFFAOYSA-N	1	0	372.469	1.257	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000271620392	537466650	/nfs/dbraw/zinc/46/66/50/537466650.db2.gz	IGGKHPJWNZJHBE-BXUZGUMPSA-N	1	0	358.446	1.047	20	30		FDEDRO
CC#CCN(C)C(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1	ZINC000293558752	537512716	/nfs/dbraw/zinc/51/27/16/537512716.db2.gz	VDARDUUVGPUHEN-UHFFFAOYSA-N	1	0	356.470	1.637	20	30		FDEDRO
C[NH+](C)CCc1ccccc1NC(=O)NCCCc1[nH]nc(N)c1C#N	ZINC000275740307	537560937	/nfs/dbraw/zinc/56/09/37/537560937.db2.gz	YQNAEKLRCDHYOG-UHFFFAOYSA-N	1	0	355.446	1.722	20	30		FDEDRO
CCc1nc(CN2CCC(CNC(=[NH2+])N[C@@H](C)COC)CC2)cs1	ZINC000304739213	537599356	/nfs/dbraw/zinc/59/93/56/537599356.db2.gz	BDERUMGANSTAAW-ZDUSSCGKSA-N	1	0	353.536	1.857	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-]	ZINC000293872784	537614554	/nfs/dbraw/zinc/61/45/54/537614554.db2.gz	CBBZXFWWXKYFFH-UHFFFAOYSA-N	1	0	371.340	1.890	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1	ZINC000293938522	537627951	/nfs/dbraw/zinc/62/79/51/537627951.db2.gz	QZJLRGVSTQEIOC-FQEVSTJZSA-N	1	0	366.469	1.705	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Cn1cnc2c3ccccc3oc2c1=O	ZINC000294002607	537638569	/nfs/dbraw/zinc/63/85/69/537638569.db2.gz	OXCHGIMOWPUNGS-UHFFFAOYSA-N	1	0	352.394	1.214	20	30		FDEDRO
CN(C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)C(=O)NCC1(C)COC1	ZINC000329919797	537645788	/nfs/dbraw/zinc/64/57/88/537645788.db2.gz	DPHHEKVKTKJCLV-GJZGRUSLSA-N	1	0	353.442	1.215	20	30		FDEDRO
CN1CCO[C@@H]2CN(C(=O)Nc3ccccc3C(=O)N3CCCC3)C[C@@H]21	ZINC000329918197	537645939	/nfs/dbraw/zinc/64/59/39/537645939.db2.gz	FWNJTQJCQKCGQJ-DLBZAZTESA-N	1	0	358.442	1.483	20	30		FDEDRO
O=C(NC[C@@H]1C[C@H](F)CN1Cc1cccs1)NC[C@@H]1COCCO1	ZINC000329923441	537646805	/nfs/dbraw/zinc/64/68/05/537646805.db2.gz	UKAFHMJAVRKALS-MELADBBJSA-N	1	0	357.451	1.580	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)CC[C@@H]1CCOC1	ZINC000294057037	537649816	/nfs/dbraw/zinc/64/98/16/537649816.db2.gz	MOHRFOQEIPMGHR-SFHVURJKSA-N	1	0	365.499	1.678	20	30		FDEDRO
Cc1[nH]c(=O)sc1S(=O)(=O)NCCNC(=O)[C@@H]1CCC[N@@H+]1C1CC1	ZINC000330228011	537652706	/nfs/dbraw/zinc/65/27/06/537652706.db2.gz	PMESXWNRFODISD-NSHDSACASA-N	1	0	374.488	1.019	20	30		FDEDRO
Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000330231006	537652946	/nfs/dbraw/zinc/65/29/46/537652946.db2.gz	QVHDVFOSWCPKKG-ARFHVFGLSA-N	1	0	362.478	1.303	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)C[C@@H]3CCCC(=O)N3)CC2)cc1	ZINC000290031942	537653621	/nfs/dbraw/zinc/65/36/21/537653621.db2.gz	YGIDTGBRJAZANY-SFHVURJKSA-N	1	0	354.454	1.651	20	30		FDEDRO
CC(C)CNC(=O)NC(=O)[C@H](C)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1	ZINC000330513685	537657418	/nfs/dbraw/zinc/65/74/18/537657418.db2.gz	CXUKILDEQLCWDY-ULQDDVLXSA-N	1	0	367.538	1.019	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000330513599	537658061	/nfs/dbraw/zinc/65/80/61/537658061.db2.gz	CTRSWZURMNITHF-XSYGEPLQSA-N	1	0	363.550	1.387	20	30		FDEDRO
COc1cc(Br)c(C[NH2+]CCn2cnc(C#N)n2)cc1OC	ZINC000285408588	537704520	/nfs/dbraw/zinc/70/45/20/537704520.db2.gz	FSMMYNIZBXJLRP-UHFFFAOYSA-N	1	0	366.219	1.719	20	30		FDEDRO
COC(=O)C1CC[NH+](CCCNC(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1	ZINC000298494139	537721732	/nfs/dbraw/zinc/72/17/32/537721732.db2.gz	LALNHKLXDIHZPP-HNNXBMFYSA-N	1	0	373.453	1.717	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CC[N@@H+](C[C@@H](O)COc3ccccc3F)C2)nc1	ZINC000292286596	537725302	/nfs/dbraw/zinc/72/53/02/537725302.db2.gz	TWRXUHAXBFHIEX-HZPDHXFCSA-N	1	0	357.385	1.985	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)COc2c(C)cccc2C)CC1	ZINC000285677243	537745169	/nfs/dbraw/zinc/74/51/69/537745169.db2.gz	WYFMYQAJDHECOB-KRWDZBQOSA-N	1	0	373.497	1.954	20	30		FDEDRO
CN(C(=O)c1ccc(CC#N)cc1)C1CC[NH+](CC(=O)N2CCCC2)CC1	ZINC000371153409	537757625	/nfs/dbraw/zinc/75/76/25/537757625.db2.gz	FWXSKSXFODORHD-UHFFFAOYSA-N	1	0	368.481	1.911	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN([C@@H](C)C(=O)Nc3ccccc3C#N)C2)CC1	ZINC000375904879	537798708	/nfs/dbraw/zinc/79/87/08/537798708.db2.gz	LKFKXHVMWBJMNY-PKOBYXMFSA-N	1	0	369.513	1.986	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@@H]1CO	ZINC000366654198	537811982	/nfs/dbraw/zinc/81/19/82/537811982.db2.gz	OKUKVUZNFBIOOP-DLBZAZTESA-N	1	0	363.483	1.477	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)cc1F	ZINC000418891967	537826543	/nfs/dbraw/zinc/82/65/43/537826543.db2.gz	VHMKSCCGYPXSTJ-WMZOPIPTSA-N	1	0	372.444	1.694	20	30		FDEDRO
C=CCN(C(=O)[C@H](C)N1CCN(C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000371833694	537833598	/nfs/dbraw/zinc/83/35/98/537833598.db2.gz	CNDHSUMNDQCIFH-FPOVZHCZSA-N	1	0	370.541	1.911	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)[C@@H](C)n1cnc(C#N)n1)[N@@H+]1CCc2ccccc2C1	ZINC000409581343	537865366	/nfs/dbraw/zinc/86/53/66/537865366.db2.gz	SJWGUUDTHMMPJW-CRAIPNDOSA-N	1	0	366.469	1.910	20	30		FDEDRO
N#Cc1cccc(OCCN2CCN(CC[N@@H+]3CCCOCC3)CC2)c1	ZINC000372280594	537910418	/nfs/dbraw/zinc/91/04/18/537910418.db2.gz	FEMNVEUOBYDKIX-UHFFFAOYSA-N	1	0	358.486	1.277	20	30		FDEDRO
CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCCOc1ccc(C#N)cc1	ZINC000414877062	537928477	/nfs/dbraw/zinc/92/84/77/537928477.db2.gz	FKBYSVAPOPZDDW-UHFFFAOYSA-N	1	0	366.421	1.801	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NCC1([NH+]2CCSCC2)CCCCC1	ZINC000367130116	537947857	/nfs/dbraw/zinc/94/78/57/537947857.db2.gz	DFLAINPIPMOWTI-HNNXBMFYSA-N	1	0	374.576	1.664	20	30		FDEDRO
CN1CC[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)[C@H]1c1ccc(F)cc1	ZINC000377655217	537994056	/nfs/dbraw/zinc/99/40/56/537994056.db2.gz	SXHFQZPLGDUPJI-PKOBYXMFSA-N	1	0	357.433	1.816	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1	ZINC000369040700	537997191	/nfs/dbraw/zinc/99/71/91/537997191.db2.gz	GXTLOHAWQPDGFW-DLBZAZTESA-N	1	0	358.442	1.587	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CCC[N@@H+]1CCc1ccccc1	ZINC000369212112	538004193	/nfs/dbraw/zinc/00/41/93/538004193.db2.gz	ALQDJYICJAKRML-FUHWJXTLSA-N	1	0	364.515	1.762	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1	ZINC000377721878	538005334	/nfs/dbraw/zinc/00/53/34/538005334.db2.gz	MVSPYJNRLKJQJI-INWMFGNUSA-N	1	0	365.861	1.748	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000369235279	538007468	/nfs/dbraw/zinc/00/74/68/538007468.db2.gz	IFUBXDAGZGCIJF-RBUKOAKNSA-N	1	0	373.501	1.404	20	30		FDEDRO
C=CCNC(=O)c1ccc(N2CCN(C3CC[NH+](CCC)CC3)CC2)nc1	ZINC000369243027	538007716	/nfs/dbraw/zinc/00/77/16/538007716.db2.gz	KJSHSNLVCHLGSA-UHFFFAOYSA-N	1	0	371.529	1.994	20	30		FDEDRO
Cn1c(C#N)ccc1C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000412772636	538017915	/nfs/dbraw/zinc/01/79/15/538017915.db2.gz	KOWVIOIJIDSEHR-UHFFFAOYSA-N	1	0	352.438	1.654	20	30		FDEDRO
CN1C(=O)C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)[C@H]1c1ccc(F)cc1	ZINC000372801853	538031267	/nfs/dbraw/zinc/03/12/67/538031267.db2.gz	AMACQQGLBWNJGE-QFBILLFUSA-N	1	0	371.416	1.343	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C2CCCC2)C(F)(F)F)CC1	ZINC000411254274	538057829	/nfs/dbraw/zinc/05/78/29/538057829.db2.gz	FPBGIJQICIUHCU-CQSZACIVSA-N	1	0	361.408	1.990	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(NC(=O)NC)CC1)C(C)C	ZINC000413119882	538058539	/nfs/dbraw/zinc/05/85/39/538058539.db2.gz	ZAHUYJLTTGGLOH-QGZVFWFLSA-N	1	0	365.522	1.788	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)CC1	ZINC000369756245	538059761	/nfs/dbraw/zinc/05/97/61/538059761.db2.gz	DVPJKEZOPRQMKL-GOSISDBHSA-N	1	0	368.481	1.538	20	30		FDEDRO
C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)NCCOc2ccc(C#N)cc2)cc1	ZINC000419459712	538072780	/nfs/dbraw/zinc/07/27/80/538072780.db2.gz	DMADKVZHRUIUGK-AWEZNQCLSA-N	1	0	366.421	1.389	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[C@H]1CCC[NH2+]C1	ZINC000419889455	538132516	/nfs/dbraw/zinc/13/25/16/538132516.db2.gz	MHKRLWKEVZOTFT-KXBFYZLASA-N	1	0	366.465	1.678	20	30		FDEDRO
CCC[NH2+]CCNC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000419907364	538141728	/nfs/dbraw/zinc/14/17/28/538141728.db2.gz	FLMRNEMOPMURGQ-UHFFFAOYSA-N	1	0	358.442	1.044	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)C[C@]12C(=O)Nc1ccccc12	ZINC000426979981	538152924	/nfs/dbraw/zinc/15/29/24/538152924.db2.gz	HCRZBSFQZKLHQI-VOWSPCBNSA-N	1	0	350.422	1.485	20	30		FDEDRO
CNc1nc(N[C@H]2CC[C@@H](CC#N)C2)nc(N[C@H]2CC[C@@H](CC#N)C2)[nH+]1	ZINC000450669805	538155320	/nfs/dbraw/zinc/15/53/20/538155320.db2.gz	CKMQREUSKPJIMM-AJNGGQMLSA-N	1	0	354.462	1.168	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@@H]1CCC[C@H]1C[NH3+]	ZINC000420016765	538188931	/nfs/dbraw/zinc/18/89/31/538188931.db2.gz	NOAQRJZMMPSWAU-GOEBONIOSA-N	1	0	360.414	1.353	20	30		FDEDRO
C[NH+](C)C1(CNS(=O)(=O)c2ccc(CC#N)cc2Cl)CCOCC1	ZINC000451202458	538207193	/nfs/dbraw/zinc/20/71/93/538207193.db2.gz	OMTSVWISVFDSCP-UHFFFAOYSA-N	1	0	371.890	1.795	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)NC1CCC([NH+](C)C)CC1	ZINC000422317558	538224125	/nfs/dbraw/zinc/22/41/25/538224125.db2.gz	OHMMHMXYVVTBHO-UHFFFAOYSA-N	1	0	359.470	1.857	20	30		FDEDRO
C[C@@]1(CNC(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CCC[NH2+]C1	ZINC000420111854	538224980	/nfs/dbraw/zinc/22/49/80/538224980.db2.gz	XBBLYRXTBPYBLJ-OAQYLSRUSA-N	1	0	366.465	1.680	20	30		FDEDRO
COc1ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc1-n1nnnc1C1CC1	ZINC000424117358	538238331	/nfs/dbraw/zinc/23/83/31/538238331.db2.gz	BKFOXFJOZYXGSC-ZDUSSCGKSA-N	1	0	355.402	1.508	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1	ZINC000424117404	538239483	/nfs/dbraw/zinc/23/94/83/538239483.db2.gz	YNUSQVZAOGICSY-OAHLLOKOSA-N	1	0	350.369	1.270	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1	ZINC000424117485	538239667	/nfs/dbraw/zinc/23/96/67/538239667.db2.gz	YYLCJQFNIFMYBW-MRXNPFEDSA-N	1	0	360.483	1.764	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H](O)COc1ccccc1Br	ZINC000424123428	538241280	/nfs/dbraw/zinc/24/12/80/538241280.db2.gz	KKWKIGLPJIIKMH-DGCLKSJQSA-N	1	0	370.247	1.326	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NCc1cn2cc(Br)ccc2n1	ZINC000424133348	538243822	/nfs/dbraw/zinc/24/38/22/538243822.db2.gz	MBAIJKKZEKPIMT-GFCCVEGCSA-N	1	0	350.220	1.734	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)CN3CCc4ncsc4C3)CC2)o1	ZINC000445851066	538257744	/nfs/dbraw/zinc/25/77/44/538257744.db2.gz	ZGZWMSHDLUQWLM-UHFFFAOYSA-N	1	0	372.454	1.018	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)CN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c1	ZINC000451670009	538295098	/nfs/dbraw/zinc/29/50/98/538295098.db2.gz	WEHARXSNOBYFGK-KDURUIRLSA-N	1	0	372.513	1.937	20	30		FDEDRO
CC(C)C[C@@H](C[NH3+])NS(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000420455406	538297218	/nfs/dbraw/zinc/29/72/18/538297218.db2.gz	NEGLSXTYHGUHLM-NSHDSACASA-N	1	0	360.277	1.972	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2c[nH]nc2-c2nccs2)CC1	ZINC000446555011	538303786	/nfs/dbraw/zinc/30/37/86/538303786.db2.gz	JUKWHDHMFJPTPV-UHFFFAOYSA-N	1	0	374.470	1.628	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1	ZINC000451926943	538338064	/nfs/dbraw/zinc/33/80/64/538338064.db2.gz	MTHZAKZNMJLYBK-SJORKVTESA-N	1	0	364.515	1.919	20	30		FDEDRO
C=CCC1(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCOCC1	ZINC000424648402	538338433	/nfs/dbraw/zinc/33/84/33/538338433.db2.gz	WSNKSNKQONQSLB-INIZCTEOSA-N	1	0	351.491	1.418	20	30		FDEDRO
N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1	ZINC000442862996	538381067	/nfs/dbraw/zinc/38/10/67/538381067.db2.gz	WKJUNHNBJNCTTM-ZACQAIPSSA-N	1	0	356.474	1.564	20	30		FDEDRO
C[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1	ZINC000423526482	538399333	/nfs/dbraw/zinc/39/93/33/538399333.db2.gz	LIATVTUKXYWESC-RTBURBONSA-N	1	0	368.481	1.743	20	30		FDEDRO
CN(CCN(C)S(=O)(=O)c1ccc(C#N)s1)C1CC[NH+](C)CC1	ZINC000435428746	538406408	/nfs/dbraw/zinc/40/64/08/538406408.db2.gz	UMLNRYYVTNEIPF-UHFFFAOYSA-N	1	0	356.517	1.266	20	30		FDEDRO
CC(C)(C)Oc1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1C#N	ZINC000453724309	538420386	/nfs/dbraw/zinc/42/03/86/538420386.db2.gz	PEJYYADKKWDANA-INIZCTEOSA-N	1	0	370.453	1.981	20	30		FDEDRO
CC[NH+](CC)CCOC1CCN(CC(=O)NCc2ccc(C#N)cc2)CC1	ZINC000466735332	538566800	/nfs/dbraw/zinc/56/68/00/538566800.db2.gz	OJVRMGBBIYYKPH-UHFFFAOYSA-N	1	0	372.513	1.997	20	30		FDEDRO
N#CCCn1cc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)c(-c2ccncc2)n1	ZINC000481820892	538577212	/nfs/dbraw/zinc/57/72/12/538577212.db2.gz	ZILQFESNLWSRBR-FUHWJXTLSA-N	1	0	355.442	1.593	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1	ZINC000472159334	538596287	/nfs/dbraw/zinc/59/62/87/538596287.db2.gz	SBOSUJQCKZXDKI-QFBILLFUSA-N	1	0	353.470	1.383	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)N(C)CCC#N	ZINC000487160298	538612018	/nfs/dbraw/zinc/61/20/18/538612018.db2.gz	XTFLGLQTRWVAKI-NVXWUHKLSA-N	1	0	350.488	1.577	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)Cc2ccc(O)cc2)CC1	ZINC000477727268	538680514	/nfs/dbraw/zinc/68/05/14/538680514.db2.gz	OFHHYUVLIXPKJY-OAHLLOKOSA-N	1	0	359.470	1.596	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](CCNC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1	ZINC000560618494	545557561	/nfs/dbraw/zinc/55/75/61/545557561.db2.gz	HHKWPODCWQBCKK-AWEZNQCLSA-N	1	0	353.430	1.992	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)cc1	ZINC000483519097	538708657	/nfs/dbraw/zinc/70/86/57/538708657.db2.gz	HXDZPGRWTDIBSN-ZENOOKHLSA-N	1	0	364.471	1.977	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1	ZINC000459934645	538711986	/nfs/dbraw/zinc/71/19/86/538711986.db2.gz	FMSGEESVMIONNO-SFHVURJKSA-N	1	0	354.454	1.603	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1	ZINC000488179953	538721607	/nfs/dbraw/zinc/72/16/07/538721607.db2.gz	QKFFOBYKRUSBKU-IRXDYDNUSA-N	1	0	350.507	1.086	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H](CC)Nc2c([N+](=O)[O-])c(C)nn2C)CC1	ZINC000469022552	538773045	/nfs/dbraw/zinc/77/30/45/538773045.db2.gz	SMFMSGRPBFPEHK-CQSZACIVSA-N	1	0	364.450	1.594	20	30		FDEDRO
N#Cc1cc(C(=O)Nc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)c[nH]1	ZINC000488932880	538775892	/nfs/dbraw/zinc/77/58/92/538775892.db2.gz	IMEVKMRKRPTHNY-UHFFFAOYSA-N	1	0	365.437	1.878	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[C@@H]2CCO[C@@H](C)C2)CC1	ZINC000561414484	545839030	/nfs/dbraw/zinc/83/90/30/545839030.db2.gz	DJHSQZHFLPLHCL-JKSUJKDBSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCCCNC(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1	ZINC000561759556	545946006	/nfs/dbraw/zinc/94/60/06/545946006.db2.gz	KDTVYWJXAOSGER-UHFFFAOYSA-N	1	0	350.507	1.086	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	ZINC000561954889	545992181	/nfs/dbraw/zinc/99/21/81/545992181.db2.gz	YWCYCNNWVZPUEA-AYHJJNSGSA-N	1	0	371.481	1.999	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C	ZINC000562010054	546012143	/nfs/dbraw/zinc/01/21/43/546012143.db2.gz	WGFRLEZODSRKHJ-KRWDZBQOSA-N	1	0	356.470	1.753	20	30		FDEDRO
C[C@]1(CO)CCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000562092144	546029232	/nfs/dbraw/zinc/02/92/32/546029232.db2.gz	RFPYVDFIVMDPQW-CRAIPNDOSA-N	1	0	362.499	1.304	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@@]4(C3)CCC[NH2+]C4)n2)c(F)c1	ZINC000562761319	546257374	/nfs/dbraw/zinc/25/73/74/546257374.db2.gz	NGIUVSNICNYCLG-IBGZPJMESA-N	1	0	368.416	2.490	20	30		FDEDRO
Cc1ccc(C[NH2+]C[C@H](O)CN(C)CCC#N)c(-n2cc(Cl)cn2)n1	ZINC000563003217	546349991	/nfs/dbraw/zinc/34/99/91/546349991.db2.gz	PLIVHUJVPLXGME-INIZCTEOSA-N	1	0	362.865	1.525	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@@H](O)Cn1c(=O)onc1-c1ccccc1	ZINC000563002814	546350523	/nfs/dbraw/zinc/35/05/23/546350523.db2.gz	LAVNETVWQJUEQD-ZACQAIPSSA-N	1	0	359.426	1.435	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1	ZINC000563013036	546354853	/nfs/dbraw/zinc/35/48/53/546354853.db2.gz	ZIASNCHUCYKKDX-ZJSJBZJDSA-N	1	0	374.481	1.571	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+]	ZINC000563142412	546422734	/nfs/dbraw/zinc/42/27/34/546422734.db2.gz	OATMOHCMMRMBDL-NJAFHUGGSA-N	1	0	357.454	1.169	20	30		FDEDRO
C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000563144049	546423109	/nfs/dbraw/zinc/42/31/09/546423109.db2.gz	OWWCNUYRNRZXIJ-VRLRAXNCSA-N	1	0	373.457	1.001	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]C[C@@H]3C[C@H](O)CN3Cc3ccccc3)cnc12	ZINC000563149080	546425653	/nfs/dbraw/zinc/42/56/53/546425653.db2.gz	DQPMLRSHTUVJJU-OALUTQOASA-N	1	0	362.437	1.326	20	30		FDEDRO
N#Cc1cnn2cc(C[N@H+]3CC[C@@H](C(=O)NCC(F)(F)F)C3)cnc12	ZINC000563150809	546426557	/nfs/dbraw/zinc/42/65/57/546426557.db2.gz	RLGUGBZQQWLCSA-LLVKDONJSA-N	1	0	352.320	1.101	20	30		FDEDRO
C[C@H]([NH2+][C@H](CO)[C@@H]1CCCOC1)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000563234741	546458937	/nfs/dbraw/zinc/45/89/37/546458937.db2.gz	AVOATPCXMPBFCD-RWBIUQBRSA-N	1	0	351.491	1.683	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C	ZINC000564095062	546805527	/nfs/dbraw/zinc/80/55/27/546805527.db2.gz	OKJJFLOAYSDHBF-WBVHZDCISA-N	1	0	350.488	1.719	20	30		FDEDRO
CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCOCc1ccc(C#N)cc1	ZINC000564158313	546826744	/nfs/dbraw/zinc/82/67/44/546826744.db2.gz	YUPSBKHMQQVTQT-OAHLLOKOSA-N	1	0	360.458	1.877	20	30		FDEDRO
Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C[NH+]2CCOCC2)CC1	ZINC000564337485	546884687	/nfs/dbraw/zinc/88/46/87/546884687.db2.gz	MEZCDYJPDSCRFJ-UHFFFAOYSA-N	1	0	366.469	1.902	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)c1C#N	ZINC000564575627	546960505	/nfs/dbraw/zinc/96/05/05/546960505.db2.gz	RJQOBIRGXIQBAT-TZMCWYRMSA-N	1	0	362.503	1.638	20	30		FDEDRO
N#Cc1ccc(OCC[N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cc1	ZINC000564753132	547025960	/nfs/dbraw/zinc/02/59/60/547025960.db2.gz	BGQJSEXCBFYGIJ-INIZCTEOSA-N	1	0	363.483	1.731	20	30		FDEDRO
C=CCN(C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1	ZINC000565176566	547235958	/nfs/dbraw/zinc/23/59/58/547235958.db2.gz	GFHNLMFPKTUPAF-ZWKOTPCHSA-N	1	0	362.495	1.710	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](C(=O)NC[C@]3(O)C[NH+]4CCC3CC4)C2)c(F)c1	ZINC000565194282	547245954	/nfs/dbraw/zinc/24/59/54/547245954.db2.gz	CHZSIHNQSHTUQW-YWZLYKJASA-N	1	0	372.444	1.097	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CC[C@H](C(=O)N(C)C)O1	ZINC000566113683	547610475	/nfs/dbraw/zinc/61/04/75/547610475.db2.gz	VKKXUFPZRZFEEX-ZHALLVOQSA-N	1	0	362.470	1.380	20	30		FDEDRO
C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)Oc1ccc(F)cc1	ZINC000566116382	547611322	/nfs/dbraw/zinc/61/13/22/547611322.db2.gz	ILHLDEPGPAFMCQ-ZDUSSCGKSA-N	1	0	363.414	1.923	20	30		FDEDRO
N#Cc1cnn2c1NC[C@@H](C[N@@H+]1CCC[C@@H](c3noc(C4CC4)n3)C1)C2	ZINC000566245861	547681736	/nfs/dbraw/zinc/68/17/36/547681736.db2.gz	WSHXAENCIULAFH-GXTWGEPZSA-N	1	0	353.430	1.936	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1	ZINC000566338083	547719737	/nfs/dbraw/zinc/71/97/37/547719737.db2.gz	MCPFFZQHPLVXGN-UKRRQHHQSA-N	1	0	372.922	1.911	20	30		FDEDRO
C[NH+](C)C1(CNS(=O)(=O)Cc2ccc(CC#N)cc2)CCOCC1	ZINC000566852182	547906571	/nfs/dbraw/zinc/90/65/71/547906571.db2.gz	ADVQVQCQUAVECX-UHFFFAOYSA-N	1	0	351.472	1.283	20	30		FDEDRO
Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NC1(C#N)CC[NH+](C)CC1)C2=O	ZINC000567088878	547990471	/nfs/dbraw/zinc/99/04/71/547990471.db2.gz	ZHJAERHGEJRKOZ-CYBMUJFWSA-N	1	0	354.410	1.084	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC([NH2+]CCOC)CC1	ZINC000567396955	548104368	/nfs/dbraw/zinc/10/43/68/548104368.db2.gz	FBTUCTLOPRFROE-UHFFFAOYSA-N	1	0	374.441	1.122	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1	ZINC000567530479	548151229	/nfs/dbraw/zinc/15/12/29/548151229.db2.gz	SOVATOVBDHRHPN-HXUWFJFHSA-N	1	0	370.453	1.095	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3C[C@H]4C[NH2+]CC[C@@H]4C3)n2)c(Cl)c1	ZINC000567569971	548163683	/nfs/dbraw/zinc/16/36/83/548163683.db2.gz	SOIJVCYUMXPUDY-ZIAGYGMSSA-N	1	0	370.844	2.471	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)NCc1nnc(C2CC[NH2+]CC2)[nH]1	ZINC000567675926	548207526	/nfs/dbraw/zinc/20/75/26/548207526.db2.gz	XZGFYANWUZANFF-UHFFFAOYSA-N	1	0	355.402	1.474	20	30		FDEDRO
CN(C(=O)C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1)C1CCCCC1	ZINC000567683498	548210889	/nfs/dbraw/zinc/21/08/89/548210889.db2.gz	OYDJXURCRMUPET-SFHVURJKSA-N	1	0	359.470	1.873	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)CC1	ZINC000568191031	548431873	/nfs/dbraw/zinc/43/18/73/548431873.db2.gz	XFSOUEWMUOXBCL-UHFFFAOYSA-N	1	0	357.863	1.368	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1	ZINC000568241782	548455208	/nfs/dbraw/zinc/45/52/08/548455208.db2.gz	YYTVAIXCLIEKOM-ZWKOTPCHSA-N	1	0	364.534	1.333	20	30		FDEDRO
N#Cc1cccnc1OC1CCC([NH2+][C@H](C2CC2)[C@H]2CNCCO2)CC1	ZINC000568499924	548561936	/nfs/dbraw/zinc/56/19/36/548561936.db2.gz	ZSECQGWPPMVEDH-CSODTCANSA-N	1	0	356.470	2.000	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1CCN(CCOc2ccccc2Cl)CC1	ZINC000568746562	548663188	/nfs/dbraw/zinc/66/31/88/548663188.db2.gz	OVRBPPXJNUENLI-INIZCTEOSA-N	1	0	364.877	1.884	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000569060839	548781291	/nfs/dbraw/zinc/78/12/91/548781291.db2.gz	DROFUCXCYNDNCC-MSOLQXFVSA-N	1	0	354.454	1.650	20	30		FDEDRO
N#Cc1cccnc1OC1CCC(NC(=O)NCC[C@@H]2CC[NH2+]C2)CC1	ZINC000569323003	548873853	/nfs/dbraw/zinc/87/38/53/548873853.db2.gz	SIKGQKAXOBIJGG-OOHWJJMZSA-N	1	0	357.458	1.942	20	30		FDEDRO
CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000569568780	548962522	/nfs/dbraw/zinc/96/25/22/548962522.db2.gz	ONUUJHIZBDYHCP-JYPPEDEUSA-N	1	0	350.484	1.967	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1	ZINC000569736396	549032501	/nfs/dbraw/zinc/03/25/01/549032501.db2.gz	QLRHHYILRAAOAS-KURKYZTESA-N	1	0	365.518	1.568	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1	ZINC000569736398	549032767	/nfs/dbraw/zinc/03/27/67/549032767.db2.gz	QLRHHYILRAAOAS-SQNIBIBYSA-N	1	0	365.518	1.568	20	30		FDEDRO
COc1cc(C#N)ccc1OCCN1CCC(CO)([NH2+]CC2CC2)CC1	ZINC000569815355	549058341	/nfs/dbraw/zinc/05/83/41/549058341.db2.gz	SRTSVUVQPGXMEI-UHFFFAOYSA-N	1	0	359.470	1.772	20	30		FDEDRO
C[C@@H]1CCCC[C@@H]1OCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000570242576	549208667	/nfs/dbraw/zinc/20/86/67/549208667.db2.gz	AZUNLMLGPGIDLM-ZBFHGGJFSA-N	1	0	351.472	1.912	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@H](OC)C[C@@H]3C[NH3+])cc2C1=O	ZINC000570443698	549280663	/nfs/dbraw/zinc/28/06/63/549280663.db2.gz	QFVMTVMUSXMLMO-ZIAGYGMSSA-N	1	0	357.410	1.047	20	30		FDEDRO
C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CCN(c2cnccc2C#N)CC1	ZINC000570459173	549287359	/nfs/dbraw/zinc/28/73/59/549287359.db2.gz	BXPWADMAVOIUGF-GOSISDBHSA-N	1	0	370.501	1.905	20	30		FDEDRO
C[C@@H]1CN(C[C@@H](O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)C[C@H](C)O1	ZINC000570536756	549315788	/nfs/dbraw/zinc/31/57/88/549315788.db2.gz	FPTCOCHJQURPKJ-SCTDSRPQSA-N	1	0	373.497	1.872	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2OC)[C@H](C)C1	ZINC000570560472	549325265	/nfs/dbraw/zinc/32/52/65/549325265.db2.gz	RHDXOGKPIPLFOJ-CJNGLKHVSA-N	1	0	358.442	1.694	20	30		FDEDRO
C[C@H](CNS(=O)(=O)Cc1ccc(CC#N)cc1)CN1CC[NH+](C)CC1	ZINC000570797727	549414663	/nfs/dbraw/zinc/41/46/63/549414663.db2.gz	LKACTHSZMYCNAI-MRXNPFEDSA-N	1	0	364.515	1.056	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000570837343	549430779	/nfs/dbraw/zinc/43/07/79/549430779.db2.gz	OJKOGVOWCBUAGG-HPBDAGMYSA-N	1	0	351.491	1.645	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000571062374	549513368	/nfs/dbraw/zinc/51/33/68/549513368.db2.gz	YYXGSBJJKOXLAS-QGTPRVQTSA-N	1	0	369.469	1.428	20	30		FDEDRO
C=CCn1cc(CNC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)nn1	ZINC000571757436	549752858	/nfs/dbraw/zinc/75/28/58/549752858.db2.gz	UONWZSMARMHXMY-HDICACEKSA-N	1	0	366.469	1.738	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3C[C@H]4CC[NH2+]C[C@H]4C3)n2)c(F)c1	ZINC000572344928	549893944	/nfs/dbraw/zinc/89/39/44/549893944.db2.gz	BZWMLASOVQLYEC-KGLIPLIRSA-N	1	0	354.389	1.956	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC([N@@H+]2CCOC[C@@H]2C)CC1	ZINC000572480845	549923918	/nfs/dbraw/zinc/92/39/18/549923918.db2.gz	XNQCYFLHYUPCRF-IRXDYDNUSA-N	1	0	362.518	1.903	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)n1)[NH+]1CCCCCC1	ZINC000572519875	549934229	/nfs/dbraw/zinc/93/42/29/549934229.db2.gz	ZPQPGBYUEQCALF-MRXNPFEDSA-N	1	0	357.458	1.909	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000572579427	549945458	/nfs/dbraw/zinc/94/54/58/549945458.db2.gz	LHBXQQDNCWWOIM-WSTZPKSXSA-N	1	0	359.470	1.656	20	30		FDEDRO
C[NH+](C)C1CCN(CCNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1	ZINC000572864792	550013714	/nfs/dbraw/zinc/01/37/14/550013714.db2.gz	FKQJALQFYRMITO-UHFFFAOYSA-N	1	0	358.461	1.871	20	30		FDEDRO
N#CCC[C@H](C#N)C[NH2+]C[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2	ZINC000573084279	550059701	/nfs/dbraw/zinc/05/97/01/550059701.db2.gz	PHJBHNLBMWGYQF-NEWSRXKRSA-N	1	0	351.454	1.618	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1	ZINC000573678126	550190614	/nfs/dbraw/zinc/19/06/14/550190614.db2.gz	NVLIVJQKJSETDS-OALUTQOASA-N	1	0	358.486	1.016	20	30		FDEDRO
N#Cc1ncn(CC[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)n1	ZINC000573834673	550219259	/nfs/dbraw/zinc/21/92/59/550219259.db2.gz	CGRADOJNIWECQQ-JTQLQIEISA-N	1	0	356.213	1.486	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]C[C@H](c3cccs3)N3CCOCC3)cnc12	ZINC000574022483	550247496	/nfs/dbraw/zinc/24/74/96/550247496.db2.gz	WMPYFFQTIZWAJY-MRXNPFEDSA-N	1	0	368.466	1.826	20	30		FDEDRO
Cn1cc(C[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)c(-c2ccc(C#N)cc2)n1	ZINC000574149778	550265732	/nfs/dbraw/zinc/26/57/32/550265732.db2.gz	CSEJJIUMUIELKK-KDURUIRLSA-N	1	0	351.454	1.912	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NCc2cnc3c(C#N)cnn3c2)[C@@H](C)C1	ZINC000574324585	550296309	/nfs/dbraw/zinc/29/63/09/550296309.db2.gz	RYUJXSLKWVMXNQ-YJBOKZPZSA-N	1	0	356.474	1.828	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC(OC(C)(C)C)CC2)CC1	ZINC000574387977	550306215	/nfs/dbraw/zinc/30/62/15/550306215.db2.gz	ZWKGPBXLLNYPMK-UHFFFAOYSA-N	1	0	351.491	1.559	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2nc3ccc(Br)cn3n2)CC1	ZINC000574421385	550311981	/nfs/dbraw/zinc/31/19/81/550311981.db2.gz	TUSVPFDOARESSN-UHFFFAOYSA-N	1	0	364.247	1.872	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1	ZINC000574762763	550366395	/nfs/dbraw/zinc/36/63/95/550366395.db2.gz	REWUNHBWKYGMAO-ZACQAIPSSA-N	1	0	370.515	1.268	20	30		FDEDRO
N#Cc1ccc([C@H](C(N)=O)N2CCC(CC[NH+]3CCOCC3)CC2)cc1	ZINC000574835766	550378750	/nfs/dbraw/zinc/37/87/50/550378750.db2.gz	HUEYJDFCQHVUKH-LJQANCHMSA-N	1	0	356.470	1.519	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H]([NH2+]C[C@@H](O)Cc3ccc(F)cc3)C2=O)cc1	ZINC000574870914	550384171	/nfs/dbraw/zinc/38/41/71/550384171.db2.gz	ZSTJFWGRXOVHFH-VQTJNVASSA-N	1	0	367.424	1.991	20	30		FDEDRO
Cc1c(C(=O)N[C@](C)(C#N)CN(C)C)nnn1-c1ccc(OC(C)C)cc1	ZINC000575049452	550415456	/nfs/dbraw/zinc/41/54/56/550415456.db2.gz	BZDUMFNVVLMGEQ-LJQANCHMSA-N	1	0	370.457	1.937	20	30		FDEDRO
CC(C)[C@H](C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)N1CCOCC1	ZINC000575937474	550493307	/nfs/dbraw/zinc/49/33/07/550493307.db2.gz	MNNSGUJWAAIYEX-SFHVURJKSA-N	1	0	365.499	1.278	20	30		FDEDRO
CSC1(CNC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1	ZINC000576025811	550502940	/nfs/dbraw/zinc/50/29/40/550502940.db2.gz	VVTJXIDVGLWIQQ-UHFFFAOYSA-N	1	0	374.510	1.460	20	30		FDEDRO
Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+]CCn1cnc(C#N)n1	ZINC000576340344	550537345	/nfs/dbraw/zinc/53/73/45/550537345.db2.gz	RIFDQTNDPHIUTB-MRXNPFEDSA-N	1	0	357.458	1.785	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)NC[C@@H]2C[NH2+]CCCO2)ccc1C(F)(F)F	ZINC000576376205	550542272	/nfs/dbraw/zinc/54/22/72/550542272.db2.gz	HOETWBKJYULSTL-NSHDSACASA-N	1	0	363.361	1.234	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)c1cccc(F)c1	ZINC000577128301	550623818	/nfs/dbraw/zinc/62/38/18/550623818.db2.gz	QUVIJOLESXXTSQ-OAHLLOKOSA-N	1	0	355.373	1.450	20	30		FDEDRO
N#CC1(CS(=O)(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CCC1	ZINC000577335091	550644941	/nfs/dbraw/zinc/64/49/41/550644941.db2.gz	GAJKULLUXZINOP-QGZVFWFLSA-N	1	0	363.483	1.366	20	30		FDEDRO
COCC[NH2+]C1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1	ZINC000577405083	550653206	/nfs/dbraw/zinc/65/32/06/550653206.db2.gz	UJWAVHDWFWCQNN-UHFFFAOYSA-N	1	0	357.863	1.601	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)c1C#N	ZINC000577624061	550676815	/nfs/dbraw/zinc/67/68/15/550676815.db2.gz	DUFXLLNDLYXONI-INIZCTEOSA-N	1	0	370.453	1.519	20	30		FDEDRO
N#CCCC1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CC1	ZINC000577730341	550688651	/nfs/dbraw/zinc/68/86/51/550688651.db2.gz	OHVQGWPTWPRUNI-ROUUACIJSA-N	1	0	360.502	1.909	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)CC1	ZINC000578080905	550726409	/nfs/dbraw/zinc/72/64/09/550726409.db2.gz	FXRHTMOKAKPJBC-UHFFFAOYSA-N	1	0	371.890	1.758	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1	ZINC000578201777	550738841	/nfs/dbraw/zinc/73/88/41/550738841.db2.gz	SFKHREANBGTADU-IRWQIABSSA-N	1	0	370.453	1.089	20	30		FDEDRO
CN(CCOCc1ccc(C#N)cc1)S(=O)(=O)CC[NH+]1CCCC1	ZINC000578671430	550789472	/nfs/dbraw/zinc/78/94/72/550789472.db2.gz	CGXQFTKQESXBBG-UHFFFAOYSA-N	1	0	351.472	1.432	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N[C@H]2CCc3[nH]cnc3C2)c1	ZINC000578807696	550803922	/nfs/dbraw/zinc/80/39/22/550803922.db2.gz	ZYSGLNHSHKTZKK-AWEZNQCLSA-N	1	0	367.409	1.704	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCN(CC(F)(F)F)C1=O	ZINC000578981889	550822265	/nfs/dbraw/zinc/82/22/65/550822265.db2.gz	UJVLGBWLEDNISZ-GJZGRUSLSA-N	1	0	372.387	1.908	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1	ZINC000579089504	550834181	/nfs/dbraw/zinc/83/41/81/550834181.db2.gz	KHKYITDWZVMGLA-IBGZPJMESA-N	1	0	368.481	1.994	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)NCc1ccc(CC#N)cc1)C[NH+]1CCCCC1	ZINC000579229473	550850103	/nfs/dbraw/zinc/85/01/03/550850103.db2.gz	BRHDUMFTUROZLO-INIZCTEOSA-N	1	0	356.470	1.607	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)Cc2c(F)cccc2C#N)(N2CCOCC2)CC1	ZINC000579684987	550898984	/nfs/dbraw/zinc/89/89/84/550898984.db2.gz	CDXZVBOVUYPZMP-UHFFFAOYSA-N	1	0	374.460	1.153	20	30		FDEDRO
C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@H](C)c2ccc(C#N)cc2)CC1	ZINC000579854223	550917729	/nfs/dbraw/zinc/91/77/29/550917729.db2.gz	QJKKLFUOJXKWSO-OAHLLOKOSA-N	1	0	371.485	1.909	20	30		FDEDRO
CCc1cnccc1[C@H](C)[NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000579880597	550919710	/nfs/dbraw/zinc/91/97/10/550919710.db2.gz	BTFDWBPYTDXSKD-QFBILLFUSA-N	1	0	357.502	1.987	20	30		FDEDRO
C=CCn1c(-c2nnn(C)c2C)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C	ZINC000580158262	550948876	/nfs/dbraw/zinc/94/88/76/550948876.db2.gz	NVAWNGCXGYGXJM-DZGCQCFKSA-N	1	0	358.494	1.735	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1	ZINC000580401271	550977820	/nfs/dbraw/zinc/97/78/20/550977820.db2.gz	PEJWIWJDWXYQSP-NXHRZFHOSA-N	1	0	357.454	1.914	20	30		FDEDRO
C[NH+]1CCN(C[C@@H](NC(=O)NCC2(CC#N)CC2)c2ccccc2)CC1	ZINC000580751171	551014219	/nfs/dbraw/zinc/01/42/19/551014219.db2.gz	PNZWEJXCHHXLDH-GOSISDBHSA-N	1	0	355.486	1.968	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1	ZINC000581168274	551059183	/nfs/dbraw/zinc/05/91/83/551059183.db2.gz	JKDHLMVBGJCBTH-UHFFFAOYSA-N	1	0	358.467	1.594	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1	ZINC000581881834	551144656	/nfs/dbraw/zinc/14/46/56/551144656.db2.gz	NJRVKTLSAYBLGY-OCCSQVGLSA-N	1	0	363.849	1.933	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCc3cnn(C(C)C)c3C2)CC1	ZINC000581950564	551154965	/nfs/dbraw/zinc/15/49/65/551154965.db2.gz	NFWFZEBVUPORNT-QGZVFWFLSA-N	1	0	373.501	1.204	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)ccc1C#N	ZINC000582045148	551167276	/nfs/dbraw/zinc/16/72/76/551167276.db2.gz	XEULJXUUFJRCQO-UHFFFAOYSA-N	1	0	357.458	1.779	20	30		FDEDRO
CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+][C@@H]1CCc2ccc(C#N)cc21	ZINC000582211071	551191089	/nfs/dbraw/zinc/19/10/89/551191089.db2.gz	UXTJQBZKTHXRJJ-FUHWJXTLSA-N	1	0	362.499	1.796	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H](Cn1ccccc1=O)c1ccccc1	ZINC000582356161	551212255	/nfs/dbraw/zinc/21/22/55/551212255.db2.gz	YUWMFUVUJPGXEC-RTBURBONSA-N	1	0	354.454	1.386	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]C[C@]3(CO)C[C@H]3c3ccc(F)cc3)cnc12	ZINC000582665771	551253872	/nfs/dbraw/zinc/25/38/72/551253872.db2.gz	AGWZWBRQGLRXQX-HKUYNNGSSA-N	1	0	351.385	1.996	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]CCN2C(=O)c3ccccc3C2=O)cc1	ZINC000582959863	551285531	/nfs/dbraw/zinc/28/55/31/551285531.db2.gz	PWHGJKRJQUMARS-HNNXBMFYSA-N	1	0	365.389	1.184	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@H+](Cc1ccccc1)C[C@]1(O)CCO[C@H]1C	ZINC000583361902	551339909	/nfs/dbraw/zinc/33/99/09/551339909.db2.gz	PCULIPJKADCBEL-FXAWDEMLSA-N	1	0	359.470	1.791	20	30		FDEDRO
C=CCn1cc(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)nn1	ZINC000583437124	551351272	/nfs/dbraw/zinc/35/12/72/551351272.db2.gz	QPEIDIWMKFSMLZ-DLBZAZTESA-N	1	0	362.478	1.031	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000583859835	551411745	/nfs/dbraw/zinc/41/17/45/551411745.db2.gz	NMCLPUXEKDHSBT-HNNXBMFYSA-N	1	0	371.441	1.243	20	30		FDEDRO
C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)C2)C1	ZINC000584036586	551437369	/nfs/dbraw/zinc/43/73/69/551437369.db2.gz	QJEGHJHGONKLCH-LJQANCHMSA-N	1	0	368.416	2.443	20	30		FDEDRO
CC(C)(CN1CCOCC1)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000584060182	551441167	/nfs/dbraw/zinc/44/11/67/551441167.db2.gz	OUEZFHPBLJLJDP-GOSISDBHSA-N	1	0	356.470	1.754	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)NC[C@@]3(C)CCC[NH2+]C3)CC2)c1C#N	ZINC000584580646	551521556	/nfs/dbraw/zinc/52/15/56/551521556.db2.gz	VHLTUBHFXWEBSX-KRWDZBQOSA-N	1	0	362.503	1.545	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)c1ccc(C#N)cc1	ZINC000585714721	551586304	/nfs/dbraw/zinc/58/63/04/551586304.db2.gz	WWVPVDQMTJUARO-RHSMWYFYSA-N	1	0	356.470	1.972	20	30		FDEDRO
C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)NCc2ccc(C#N)cc2F)C1	ZINC000585717290	551586871	/nfs/dbraw/zinc/58/68/71/551586871.db2.gz	HXUHOHNFQKOCIA-GJZGRUSLSA-N	1	0	374.460	1.798	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1	ZINC000586778616	551618908	/nfs/dbraw/zinc/61/89/08/551618908.db2.gz	CLXOWIFRCLXIJK-UXLLHSPISA-N	1	0	372.387	1.985	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)N[C@H](C)c1cccc(C#N)c1)[NH+]1CCC(C)CC1	ZINC000586827880	551623203	/nfs/dbraw/zinc/62/32/03/551623203.db2.gz	ZOAKXVSJZYWIFU-HZPDHXFCSA-N	1	0	356.470	1.972	20	30		FDEDRO
CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCc1ccc(C#N)cc1F	ZINC000586864221	551627922	/nfs/dbraw/zinc/62/79/22/551627922.db2.gz	OHNQNMSUTVQYHM-INIZCTEOSA-N	1	0	360.433	1.646	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1)c1cccc(C#N)c1	ZINC000586871231	551628940	/nfs/dbraw/zinc/62/89/40/551628940.db2.gz	KMROAPDARVERAM-KSTDHSDQSA-N	1	0	356.470	1.972	20	30		FDEDRO
CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1	ZINC000588231418	551660874	/nfs/dbraw/zinc/66/08/74/551660874.db2.gz	CVFMXYLIRWVGTI-SJLPKXTDSA-N	1	0	362.499	1.796	20	30		FDEDRO
COc1ccc([C@H](C[NH+](C)C)NC(=O)NC2CCN(CC#N)CC2)cc1	ZINC000588341404	551667894	/nfs/dbraw/zinc/66/78/94/551667894.db2.gz	KWPXKQVWVDWWFY-SFHVURJKSA-N	1	0	359.474	1.585	20	30		FDEDRO
N#Cc1ccccc1OCc1ccc(C(=O)N[C@H](CO)C[NH+]2CCCC2)o1	ZINC000588869254	551695180	/nfs/dbraw/zinc/69/51/80/551695180.db2.gz	JSBNWPGLWCXADV-INIZCTEOSA-N	1	0	369.421	1.917	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)N(C)CCOCc2ccc(C#N)cc2)C1	ZINC000588884459	551696558	/nfs/dbraw/zinc/69/65/58/551696558.db2.gz	URQOKIRIQPEONC-SFHVURJKSA-N	1	0	360.458	1.437	20	30		FDEDRO
CN1CC[NH+](CC2(C)CCN(C(=O)c3cc(O)cc(C#N)c3)CC2)CC1	ZINC000589202965	551717232	/nfs/dbraw/zinc/71/72/32/551717232.db2.gz	BHTPYDDYGMXVAF-UHFFFAOYSA-N	1	0	356.470	1.754	20	30		FDEDRO
N#Cc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)n1	ZINC000589483921	551732880	/nfs/dbraw/zinc/73/28/80/551732880.db2.gz	PRWHFGQHEMRBJC-WMZOPIPTSA-N	1	0	350.422	1.566	20	30		FDEDRO
C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@@H](O)CN1CCOCC1	ZINC000589502260	551733971	/nfs/dbraw/zinc/73/39/71/551733971.db2.gz	RWJNGJNCSZEMOU-OAHLLOKOSA-N	1	0	357.376	1.702	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1	ZINC000589858845	551748406	/nfs/dbraw/zinc/74/84/06/551748406.db2.gz	YWSFYUXIZOWIOS-IRXDYDNUSA-N	1	0	354.458	1.412	20	30		FDEDRO
C[C@@H](NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)C1CC[NH+](C)CC1	ZINC000589886942	551749383	/nfs/dbraw/zinc/74/93/83/551749383.db2.gz	VDMQESVPICVWIJ-PBHICJAKSA-N	1	0	357.458	1.846	20	30		FDEDRO
CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2cnccc2C#N)CC1	ZINC000589901437	551750443	/nfs/dbraw/zinc/75/04/43/551750443.db2.gz	RMRKUAQZZBJLSZ-QGZVFWFLSA-N	1	0	356.474	1.659	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)cc1C#N	ZINC000589901171	551750450	/nfs/dbraw/zinc/75/04/50/551750450.db2.gz	LDEMCKQSBOKTHT-HNNXBMFYSA-N	1	0	372.450	1.780	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)[C@@H]2C1	ZINC000589930181	551752699	/nfs/dbraw/zinc/75/26/99/551752699.db2.gz	TYTFYOHBHMCTEW-QMTHXVAHSA-N	1	0	359.373	1.902	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)[C@@H]2C1	ZINC000589930320	551752848	/nfs/dbraw/zinc/75/28/48/551752848.db2.gz	VYCWWAGFLMHSOJ-SMDDNHRTSA-N	1	0	370.272	1.645	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)[C@H]2C1	ZINC000590010808	551756991	/nfs/dbraw/zinc/75/69/91/551756991.db2.gz	YQJWKWNJYAEOIN-PBHICJAKSA-N	1	0	350.426	1.318	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3ccccc3SCCC#N)[C@@H]2C1	ZINC000590281131	551769998	/nfs/dbraw/zinc/76/99/98/551769998.db2.gz	MFQOMJKZOTVVBE-UKRRQHHQSA-N	1	0	358.467	1.793	20	30		FDEDRO
N#CC1(CC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CC[N@@H+]2C3)CC1	ZINC000590320186	551773709	/nfs/dbraw/zinc/77/37/09/551773709.db2.gz	SFHISFRAJISQRW-DLBZAZTESA-N	1	0	352.438	1.395	20	30		FDEDRO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1	ZINC000590338320	551774793	/nfs/dbraw/zinc/77/47/93/551774793.db2.gz	XCXJGOFAVIEDHJ-UYAOXDASSA-N	1	0	359.470	1.877	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2	ZINC000590355298	551775531	/nfs/dbraw/zinc/77/55/31/551775531.db2.gz	PEJCVVCNXWFPOS-MJGOQNOKSA-N	1	0	356.470	1.468	20	30		FDEDRO
Cc1nc2c(n1CCO)CC[C@H](NC(=O)CNc1ccc(C#N)cc1)C2	ZINC000590360302	551776095	/nfs/dbraw/zinc/77/60/95/551776095.db2.gz	CBSJLZCKMMEIKH-INIZCTEOSA-N	1	0	353.426	1.141	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)n(CCC#N)n1	ZINC000590787274	551816745	/nfs/dbraw/zinc/81/67/45/551816745.db2.gz	PODMXTSLYJVLIW-INIZCTEOSA-N	1	0	374.489	1.670	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)CC1	ZINC000591021811	551836551	/nfs/dbraw/zinc/83/65/51/551836551.db2.gz	OFTNFWWDKNFSQD-MRXNPFEDSA-N	1	0	372.444	1.321	20	30		FDEDRO
COC(=O)[C@H]1CN(Cc2c(C#N)c(C)nn2-c2ccccc2)CC[N@H+](C)C1	ZINC000591045653	551838647	/nfs/dbraw/zinc/83/86/47/551838647.db2.gz	BMHJYLSVLKIPKB-MRXNPFEDSA-N	1	0	367.453	1.589	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3cccc(C[NH3+])c3)C2)nc1	ZINC000591288308	551856322	/nfs/dbraw/zinc/85/63/22/551856322.db2.gz	MBBXMDHVPMKVQB-MRXNPFEDSA-N	1	0	365.393	1.030	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)n1	ZINC000591297484	551857933	/nfs/dbraw/zinc/85/79/33/551857933.db2.gz	LWYGPVDXYBZNHM-OKILXGFUSA-N	1	0	368.416	2.346	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H]1CN(C(=O)Nc2ccc(C#N)c(Br)c2)CCO1	ZINC000591306584	551859829	/nfs/dbraw/zinc/85/98/29/551859829.db2.gz	QMZVEHZQSJWTKR-RNCFNFMXSA-N	1	0	353.220	1.901	20	30		FDEDRO
C[C@H](NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(C#N)c1	ZINC000591353725	551865148	/nfs/dbraw/zinc/86/51/48/551865148.db2.gz	LMYCPCWQOQGAQJ-WFASDCNBSA-N	1	0	369.391	1.755	20	30		FDEDRO
CC[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[C@H]1[NH3+]	ZINC000591356569	551865584	/nfs/dbraw/zinc/86/55/84/551865584.db2.gz	XCSDPEZVMMTZNO-KBAYOESNSA-N	1	0	369.469	1.822	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)C2=O)cc1	ZINC000591357140	551865625	/nfs/dbraw/zinc/86/56/25/551865625.db2.gz	QWCPZYSROCGPOK-ZACQAIPSSA-N	1	0	355.442	1.228	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@H]3CCC[C@H]([NH3+])C3)C2=O)cc1	ZINC000591357139	551865696	/nfs/dbraw/zinc/86/56/96/551865696.db2.gz	QWCPZYSROCGPOK-ULQDDVLXSA-N	1	0	355.442	1.228	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](NC(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)C2=O)cc1	ZINC000591357108	551865745	/nfs/dbraw/zinc/86/57/45/551865745.db2.gz	KLXVKKVHCINDIB-FGTMMUONSA-N	1	0	367.453	1.195	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NCc3ccc4c(c3)C[NH2+]C4)CC2)nc1	ZINC000591360438	551866210	/nfs/dbraw/zinc/86/62/10/551866210.db2.gz	VLOGLIVXCZVAEL-UHFFFAOYSA-N	1	0	362.437	1.588	20	30		FDEDRO
N#CCN1CCC([NH2+]C[C@@H](O)COc2ccc(Br)cc2)CC1	ZINC000591736886	551905163	/nfs/dbraw/zinc/90/51/63/551905163.db2.gz	XBGZPJLROAVADS-OAHLLOKOSA-N	1	0	368.275	1.766	20	30		FDEDRO
Cc1cc(C[C@@H](C)[NH2+]C[C@@H](O)CN(C)CCC#N)n(-c2ccccc2)n1	ZINC000591756879	551906393	/nfs/dbraw/zinc/90/63/93/551906393.db2.gz	XNBYJEQNLYETFV-OXQOHEQNSA-N	1	0	355.486	1.908	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(CC(N)=O)cc2)cc1	ZINC000591767820	551907308	/nfs/dbraw/zinc/90/73/08/551907308.db2.gz	ZHNXPKPXKCASLS-GOSISDBHSA-N	1	0	353.422	1.310	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(CC(N)=O)cc2)cc1	ZINC000591767821	551907345	/nfs/dbraw/zinc/90/73/45/551907345.db2.gz	ZHNXPKPXKCASLS-SFHVURJKSA-N	1	0	353.422	1.310	20	30		FDEDRO
Cn1ccnc1[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)CCO1	ZINC000591771113	551907450	/nfs/dbraw/zinc/90/74/50/551907450.db2.gz	HBDLAVQQOLQKJH-RYRKJORJSA-N	1	0	356.426	1.541	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCCN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)[C@@H]2C1	ZINC000591866452	551912372	/nfs/dbraw/zinc/91/23/72/551912372.db2.gz	HIKZHUHYQSIMLB-FUHWJXTLSA-N	1	0	368.485	1.658	20	30		FDEDRO
COc1ccc([C@@H](CNC(=O)N2CC[C@@](O)(CC#N)C2)[NH+]2CCCC2)cc1	ZINC000591892833	551913831	/nfs/dbraw/zinc/91/38/31/551913831.db2.gz	UUWZVYPVFXMCSL-QUCCMNQESA-N	1	0	372.469	1.892	20	30		FDEDRO
N#CC[C@@]1(O)CC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C1	ZINC000592144659	551949077	/nfs/dbraw/zinc/94/90/77/551949077.db2.gz	HHGAXNRRZXXGHY-DZGCQCFKSA-N	1	0	355.232	1.539	20	30		FDEDRO
COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000592209157	551960428	/nfs/dbraw/zinc/96/04/28/551960428.db2.gz	VMYMNCJHKHAOSK-RDJZCZTQSA-N	1	0	354.410	1.315	20	30		FDEDRO
Cc1cc(C#N)c(=O)n(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1	ZINC000592354447	551984165	/nfs/dbraw/zinc/98/41/65/551984165.db2.gz	CPNUZLCRDQMLRV-UHFFFAOYSA-N	1	0	372.469	1.180	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+])c1cccc(C#N)c1	ZINC000592441899	551996082	/nfs/dbraw/zinc/99/60/82/551996082.db2.gz	AAQRRXZGNYQCBG-LIRRHRJNSA-N	1	0	362.433	1.820	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cc1	ZINC000592442921	551996183	/nfs/dbraw/zinc/99/61/83/551996183.db2.gz	XURSVAHSYBMLBK-IBGZPJMESA-N	1	0	362.433	1.454	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCC2(NS(C)(=O)=O)CCCCC2)CC1	ZINC000592481801	551999959	/nfs/dbraw/zinc/99/99/59/551999959.db2.gz	UDZJLAVFACDDOW-UHFFFAOYSA-N	1	0	372.535	1.188	20	30		FDEDRO
CC(C)N(C(=O)Cn1cnc(C#N)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000592874518	552037717	/nfs/dbraw/zinc/03/77/17/552037717.db2.gz	STGFMVYVZPRWRQ-KRWDZBQOSA-N	1	0	352.442	1.661	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3cc[nH]c(=O)c3s2)c1C#N	ZINC000592943844	552046671	/nfs/dbraw/zinc/04/66/71/552046671.db2.gz	YZXNVXBAFQQVGY-UHFFFAOYSA-N	1	0	356.411	1.589	20	30		FDEDRO
COC(=O)[C@@H]1C[N@@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@H]1C1CC1	ZINC000593000721	552052218	/nfs/dbraw/zinc/05/22/18/552052218.db2.gz	SPJATLWVMQJBFW-BBWFWOEESA-N	1	0	367.405	1.321	20	30		FDEDRO
CC(C)O[C@@H]1CCC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1	ZINC000593055918	552056859	/nfs/dbraw/zinc/05/68/59/552056859.db2.gz	USAKIGMPAPXPBP-MSOLQXFVSA-N	1	0	350.507	1.568	20	30		FDEDRO
COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C1CC1	ZINC000593132293	552066006	/nfs/dbraw/zinc/06/60/06/552066006.db2.gz	SCMGJEFZSKTBCT-RCCFBDPRSA-N	1	0	353.422	1.795	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1C#N	ZINC000593173170	552069534	/nfs/dbraw/zinc/06/95/34/552069534.db2.gz	XXWSBFZZYKPKBW-UHFFFAOYSA-N	1	0	373.457	1.583	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N(C)CC[NH+]1CCCCC1	ZINC000593182141	552070673	/nfs/dbraw/zinc/07/06/73/552070673.db2.gz	XVWPETKZQCXUFU-UHFFFAOYSA-N	1	0	367.457	2.397	20	30		FDEDRO
Cc1cc(NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c(C#N)cc1N(C)C	ZINC000593213922	552073747	/nfs/dbraw/zinc/07/37/47/552073747.db2.gz	BBLNEROKYGTAQF-UHFFFAOYSA-N	1	0	372.473	1.170	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(N3C(=O)[C@H]4CSCCN4C3=O)CC2)c1	ZINC000593230396	552074809	/nfs/dbraw/zinc/07/48/09/552074809.db2.gz	AIRKIKROUWUXHH-QGZVFWFLSA-N	1	0	370.478	1.902	20	30		FDEDRO
Cn1cc(CCNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cn1	ZINC000593313407	552088045	/nfs/dbraw/zinc/08/80/45/552088045.db2.gz	AWUFDAWTTSAODV-UHFFFAOYSA-N	1	0	366.469	1.798	20	30		FDEDRO
CCCn1cc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)nn1	ZINC000593351734	552094758	/nfs/dbraw/zinc/09/47/58/552094758.db2.gz	SBZVUKFIDPIZRQ-UHFFFAOYSA-N	1	0	352.442	1.954	20	30		FDEDRO
C[C@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)N1C(=O)CCC1=O	ZINC000593355868	552095212	/nfs/dbraw/zinc/09/52/12/552095212.db2.gz	QYGJCBLADBPZEV-CQSZACIVSA-N	1	0	368.437	1.176	20	30		FDEDRO
CC(C)C[C@H](NC(=O)NCC1(C#N)CCCC1)C(=O)NCC[NH+](C)C	ZINC000593431376	552107192	/nfs/dbraw/zinc/10/71/92/552107192.db2.gz	YURKKJMNCRQXFZ-HNNXBMFYSA-N	1	0	351.495	1.462	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@@H]3CC[C@@H](O)C3)CC2)c1	ZINC000593514657	552120637	/nfs/dbraw/zinc/12/06/37/552120637.db2.gz	YAKFAZMWYDWSDM-VQIMIIECSA-N	1	0	356.470	1.983	20	30		FDEDRO
COC(=O)C1CC[NH+](CCCNS(=O)(=O)c2ccsc2C#N)CC1	ZINC000593531196	552124887	/nfs/dbraw/zinc/12/48/87/552124887.db2.gz	OBBCBMNETVIMKY-UHFFFAOYSA-N	1	0	371.484	1.173	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCC[NH+]1CCCCCC1	ZINC000593531581	552124894	/nfs/dbraw/zinc/12/48/94/552124894.db2.gz	PPILPDJTSIMGME-UHFFFAOYSA-N	1	0	365.455	1.499	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)c2ccsc2C#N)CC1	ZINC000593542023	552127687	/nfs/dbraw/zinc/12/76/87/552127687.db2.gz	DJWJKEXQHFZVKW-AWEZNQCLSA-N	1	0	368.528	1.410	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000593604800	552149620	/nfs/dbraw/zinc/14/96/20/552149620.db2.gz	ARXBKXCWEIADAI-AGUYFDCRSA-N	1	0	363.439	1.248	20	30		FDEDRO
CN(CCC[N@H+](C)Cc1ccncc1)C(=O)CNc1ccc(C#N)cn1	ZINC000593714647	552180733	/nfs/dbraw/zinc/18/07/33/552180733.db2.gz	ZULBJHKNBGBFEK-UHFFFAOYSA-N	1	0	352.442	1.741	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)NCCC3CC[NH2+]CC3)CC2)cc1	ZINC000593719088	552181999	/nfs/dbraw/zinc/18/19/99/552181999.db2.gz	VCALMFWJNAPJIT-UHFFFAOYSA-N	1	0	355.486	1.775	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)CC[NH+]1CCCCC1	ZINC000593722146	552182851	/nfs/dbraw/zinc/18/28/51/552182851.db2.gz	HSEAIEQKGXNUNX-UHFFFAOYSA-N	1	0	358.442	1.840	20	30		FDEDRO
Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)ccc1C#N	ZINC000593731819	552185840	/nfs/dbraw/zinc/18/58/40/552185840.db2.gz	FHNQOIGPCHJCJZ-CGTJXYLNSA-N	1	0	363.483	1.916	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)C(=O)N3CCC34CCCC4)CC2)cc1	ZINC000593748464	552190047	/nfs/dbraw/zinc/19/00/47/552190047.db2.gz	NRWRJPPXBZBINA-UHFFFAOYSA-N	1	0	366.465	1.748	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1	ZINC000593766044	552193818	/nfs/dbraw/zinc/19/38/18/552193818.db2.gz	BLJJLVOQHPKNJX-YWZLYKJASA-N	1	0	370.453	1.871	20	30		FDEDRO
C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Cn1cnc(C#N)n1	ZINC000593772539	552195469	/nfs/dbraw/zinc/19/54/69/552195469.db2.gz	STJNQWBFZXNEHN-HRCADAONSA-N	1	0	352.442	1.660	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc4n[nH]nc4n3)CC2)c1	ZINC000593885967	552217039	/nfs/dbraw/zinc/21/70/39/552217039.db2.gz	LONVFCNBDQUOAY-UHFFFAOYSA-N	1	0	361.409	1.619	20	30		FDEDRO
C[C@@H]1CCNC(=O)[C@H]1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593925413	552226727	/nfs/dbraw/zinc/22/67/27/552226727.db2.gz	AIOTUHJFGMPTIZ-KDOFPFPSSA-N	1	0	369.469	1.346	20	30		FDEDRO
CCC(C)(C)[NH+]1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1	ZINC000594021893	552239496	/nfs/dbraw/zinc/23/94/96/552239496.db2.gz	ZCUKNBPBNODWIM-SFHVURJKSA-N	1	0	363.550	1.485	20	30		FDEDRO
N#CCCN(C(=O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1cccc(Cl)c1	ZINC000594025733	552240723	/nfs/dbraw/zinc/24/07/23/552240723.db2.gz	RZXIQVMQEWFNFG-DLBZAZTESA-N	1	0	362.861	1.337	20	30		FDEDRO
CC(C)(CNC(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCC1)N1CCOCC1	ZINC000594032361	552241884	/nfs/dbraw/zinc/24/18/84/552241884.db2.gz	FCRSFBNKWBDQPH-UHFFFAOYSA-N	1	0	370.497	1.754	20	30		FDEDRO
CO[C@@](C)(CO)CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000594250369	552270771	/nfs/dbraw/zinc/27/07/71/552270771.db2.gz	SWHCHBGZTHWDIE-LJQANCHMSA-N	1	0	360.458	1.219	20	30		FDEDRO
C[NH+](C)CCn1ccc(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)n1	ZINC000594280389	552276876	/nfs/dbraw/zinc/27/68/76/552276876.db2.gz	NZGSICKEUUZCSJ-UHFFFAOYSA-N	1	0	367.457	1.110	20	30		FDEDRO
C[NH+](C)CCN1C[C@@H](C(=O)NC2(c3ccc(C#N)cc3)CCC2)CC1=O	ZINC000594404473	552304572	/nfs/dbraw/zinc/30/45/72/552304572.db2.gz	YCANUEUWBRRZSW-INIZCTEOSA-N	1	0	354.454	1.464	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1	ZINC000594435159	552309243	/nfs/dbraw/zinc/30/92/43/552309243.db2.gz	AZFZZAXSVMVLAY-MSOLQXFVSA-N	1	0	356.470	1.748	20	30		FDEDRO
C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)[C@@H]([NH3+])CCCCC#N	ZINC000594435704	552309739	/nfs/dbraw/zinc/30/97/39/552309739.db2.gz	IMOWRSZTQFVYQF-WFASDCNBSA-N	1	0	352.460	1.265	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1	ZINC000594442440	552311513	/nfs/dbraw/zinc/31/15/13/552311513.db2.gz	GHUQGLZRSCHUTG-HOTGVXAUSA-N	1	0	370.432	1.926	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1	ZINC000594442687	552311567	/nfs/dbraw/zinc/31/15/67/552311567.db2.gz	HSWFEHDVHLRRFY-FZMZJTMJSA-N	1	0	350.369	1.598	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F)c1	ZINC000594532513	552329639	/nfs/dbraw/zinc/32/96/39/552329639.db2.gz	CCQARCFPSXZAMI-SECBINFHSA-N	1	0	366.246	1.104	20	30		FDEDRO
N#Cc1ccc2c(c1)CN(C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C2	ZINC000594532407	552329661	/nfs/dbraw/zinc/32/96/61/552329661.db2.gz	AGVYGJZLODFPPE-HNNXBMFYSA-N	1	0	367.375	1.420	20	30		FDEDRO
CC[N@H+](CCO)CCNS(=O)(=O)c1sc2ccc(C#N)cc2c1C	ZINC000594768624	552377726	/nfs/dbraw/zinc/37/77/26/552377726.db2.gz	ZVXRXYYEVUPDKZ-UHFFFAOYSA-N	1	0	367.496	1.674	20	30		FDEDRO
N#Cc1ncccc1S(=O)(=O)NCC1CC[NH+](C2CCOCC2)CC1	ZINC000594805120	552391343	/nfs/dbraw/zinc/39/13/43/552391343.db2.gz	USFNEXTWAMTQBD-UHFFFAOYSA-N	1	0	364.471	1.123	20	30		FDEDRO
CC[NH+](CC)CCS(=O)(=O)N1CCN(c2ccsc2C#N)CC1	ZINC000594806757	552392279	/nfs/dbraw/zinc/39/22/79/552392279.db2.gz	IOVKUSWJXWTWFV-UHFFFAOYSA-N	1	0	356.517	1.413	20	30		FDEDRO
Cn1cc(C[NH2+]CCCCC#N)c(CN2C(=O)c3ccccc3C2=O)n1	ZINC000594922835	552423968	/nfs/dbraw/zinc/42/39/68/552423968.db2.gz	VBQHDBRNSPQIGV-UHFFFAOYSA-N	1	0	351.410	2.000	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@@]2(CO)COCCN2Cc2ccccc2)s1	ZINC000594989779	552433234	/nfs/dbraw/zinc/43/32/34/552433234.db2.gz	JTLBKJXAVICKPA-LJQANCHMSA-N	1	0	357.479	1.973	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1	ZINC000595089236	552448478	/nfs/dbraw/zinc/44/84/78/552448478.db2.gz	GBJVSHQSDRHEHJ-AWEZNQCLSA-N	1	0	358.442	1.884	20	30		FDEDRO
CCN(C(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1)[C@@H]1CC[N@H+](C)C1	ZINC000595105815	552452260	/nfs/dbraw/zinc/45/22/60/552452260.db2.gz	YXUPAQKRKHUGOJ-MRXNPFEDSA-N	1	0	358.442	1.837	20	30		FDEDRO
C[C@]1(C#N)CCN(C(=O)C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)C1	ZINC000595132198	552461860	/nfs/dbraw/zinc/46/18/60/552461860.db2.gz	ODOXZARGOYYLKL-HXUWFJFHSA-N	1	0	360.502	1.863	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1F	ZINC000595196609	552486652	/nfs/dbraw/zinc/48/66/52/552486652.db2.gz	MHDDZUYKXISFOP-HNNXBMFYSA-N	1	0	360.389	1.005	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1	ZINC000595232029	552499527	/nfs/dbraw/zinc/49/95/27/552499527.db2.gz	PVVLMHIMDRWWDV-LERXQTSPSA-N	1	0	354.407	1.275	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000595235966	552501146	/nfs/dbraw/zinc/50/11/46/552501146.db2.gz	LZOAPVNFHWMMDC-HNNXBMFYSA-N	1	0	374.441	1.075	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)ccc1C#N	ZINC000595240987	552502699	/nfs/dbraw/zinc/50/26/99/552502699.db2.gz	ZCSOHPJDFIYWED-MRXNPFEDSA-N	1	0	355.442	1.438	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)ccc1C#N	ZINC000595240665	552502746	/nfs/dbraw/zinc/50/27/46/552502746.db2.gz	UZTYJPPIFVIJTN-MRXNPFEDSA-N	1	0	355.442	1.438	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)c1	ZINC000595240131	552502805	/nfs/dbraw/zinc/50/28/05/552502805.db2.gz	OVCVPKJMRLAGRS-KRWDZBQOSA-N	1	0	354.454	1.929	20	30		FDEDRO
COC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccccc1Br	ZINC000595255732	552506173	/nfs/dbraw/zinc/50/61/73/552506173.db2.gz	AYVPWAKYVJCKQI-STQMWFEESA-N	1	0	368.231	1.801	20	30		FDEDRO
CCS(=O)(=O)N(C)c1ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc1	ZINC000595258833	552506347	/nfs/dbraw/zinc/50/63/47/552506347.db2.gz	WABXUIKTUNGWMI-HNNXBMFYSA-N	1	0	352.460	1.822	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CCN(C(=O)N[C@@H]4CC[NH2+]C4)CC3)n[nH]2)cc1	ZINC000595266551	552508167	/nfs/dbraw/zinc/50/81/67/552508167.db2.gz	AMCNLJLAQHYVLE-MRXNPFEDSA-N	1	0	365.441	1.142	20	30		FDEDRO
CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCO[C@H](C#N)C2)cc1	ZINC000595270861	552509250	/nfs/dbraw/zinc/50/92/50/552509250.db2.gz	NGGNBJJUDQQFGT-SQNIBIBYSA-N	1	0	358.442	1.465	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)NCC[C@@H]([NH3+])C(C)C)CC2)c1C#N	ZINC000595273012	552509411	/nfs/dbraw/zinc/50/94/11/552509411.db2.gz	IUKPUHPYHZYJGF-CQSZACIVSA-N	1	0	350.492	1.528	20	30		FDEDRO
N#CC1(CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCCCC1	ZINC000595274398	552509943	/nfs/dbraw/zinc/50/99/43/552509943.db2.gz	QQGMCGRNRXFFPQ-ZDUSSCGKSA-N	1	0	361.412	1.596	20	30		FDEDRO
C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1	ZINC000595282493	552511839	/nfs/dbraw/zinc/51/18/39/552511839.db2.gz	OVWNWVQQIAWRID-CQSZACIVSA-N	1	0	350.422	1.566	20	30		FDEDRO
C[NH+](C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)CC1(C#N)CCCC1	ZINC000595404387	552551485	/nfs/dbraw/zinc/55/14/85/552551485.db2.gz	XMTRIHMKKKUTKE-MRXNPFEDSA-N	1	0	369.531	1.975	20	30		FDEDRO
COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](CCc2ccc(C#N)cc2)C1	ZINC000595462049	552565344	/nfs/dbraw/zinc/56/53/44/552565344.db2.gz	PEERZCMXQOZUAZ-SFHVURJKSA-N	1	0	365.499	1.473	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@H]([NH+]2CCOCC2)CC1	ZINC000595470060	552567757	/nfs/dbraw/zinc/56/77/57/552567757.db2.gz	LNCBYSJJRCJULQ-AOIWGVFYSA-N	1	0	350.507	1.616	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)N2CCC[C@@H](CC#N)C2)CC1	ZINC000595477242	552569247	/nfs/dbraw/zinc/56/92/47/552569247.db2.gz	ROPUXFKZLQNJPL-INIZCTEOSA-N	1	0	356.474	1.669	20	30		FDEDRO
CC(C)C[NH2+]C1(CO)CCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1	ZINC000595510842	552576122	/nfs/dbraw/zinc/57/61/22/552576122.db2.gz	FOVDIBANUBXBHO-WMZOPIPTSA-N	1	0	352.523	1.502	20	30		FDEDRO
CC(C)C[NH2+]C1(CO)CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000595510786	552576194	/nfs/dbraw/zinc/57/61/94/552576194.db2.gz	DXHXDXGPXPJPPC-SFHVURJKSA-N	1	0	361.486	1.370	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)N2CCN(c3ccsc3C#N)CC2)C1	ZINC000595515631	552576730	/nfs/dbraw/zinc/57/67/30/552576730.db2.gz	LZDDVWFMCHCGKC-AWEZNQCLSA-N	1	0	363.487	1.172	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)cc1	ZINC000595597449	552590436	/nfs/dbraw/zinc/59/04/36/552590436.db2.gz	QIAOIOLPDBPTIP-IBGZPJMESA-N	1	0	357.454	1.332	20	30		FDEDRO
COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN([C@H](C)C(=O)NC2(C#N)CCC2)C1	ZINC000595620601	552593671	/nfs/dbraw/zinc/59/36/71/552593671.db2.gz	GPIXHCHZNTUPAX-UTUOFQBUSA-N	1	0	361.364	1.611	20	30		FDEDRO
C[C@H](NC(=O)CNC(=O)CN1CCC[C@@H](CC#N)C1)c1ccc(F)cc1	ZINC000595621063	552593902	/nfs/dbraw/zinc/59/39/02/552593902.db2.gz	RZJQDMGHOLJFBI-GJZGRUSLSA-N	1	0	360.433	1.745	20	30		FDEDRO
C[C@@H](NC(=O)CNC(=O)CN1CCC[C@H](CC#N)C1)c1ccc(F)cc1	ZINC000595621064	552593978	/nfs/dbraw/zinc/59/39/78/552593978.db2.gz	RZJQDMGHOLJFBI-HUUCEWRRSA-N	1	0	360.433	1.745	20	30		FDEDRO
CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000595633281	552595755	/nfs/dbraw/zinc/59/57/55/552595755.db2.gz	OSLPOLFUMIHCTN-NUJGCVRESA-N	1	0	366.483	1.488	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1	ZINC000595697799	552603765	/nfs/dbraw/zinc/60/37/65/552603765.db2.gz	KSCBJVLYSCPFDV-INIZCTEOSA-N	1	0	356.474	1.658	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@H]4NC(=O)CC[C@H]4C3)C2=O)cc1	ZINC000595728135	552607301	/nfs/dbraw/zinc/60/73/01/552607301.db2.gz	JWAMALKEVAGSCI-JQHSSLGASA-N	1	0	352.438	1.654	20	30		FDEDRO
CC(C)(C)NC(=O)CNC(=O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1	ZINC000595764660	552612964	/nfs/dbraw/zinc/61/29/64/552612964.db2.gz	KOHHBQLHSKQWAO-UHFFFAOYSA-N	1	0	372.469	1.184	20	30		FDEDRO
CN1CCN(C(=O)CC[NH2+]C2(c3cccc(C#N)c3)CCOCC2)CC1	ZINC000595769902	552613217	/nfs/dbraw/zinc/61/32/17/552613217.db2.gz	VRWHATHEAZTAPQ-UHFFFAOYSA-N	1	0	356.470	1.318	20	30		FDEDRO
Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cn1	ZINC000595769716	552613323	/nfs/dbraw/zinc/61/33/23/552613323.db2.gz	KRICAOBZKXCIDX-DLBZAZTESA-N	1	0	373.482	1.461	20	30		FDEDRO
Cc1oc(NC(=O)[C@@H](C)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(C#N)c1C	ZINC000595864946	552625501	/nfs/dbraw/zinc/62/55/01/552625501.db2.gz	XULPCDYJSZGBOI-CZUORRHYSA-N	1	0	360.458	1.626	20	30		FDEDRO
CCC[NH2+][C@@H](C)C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595969677	552640185	/nfs/dbraw/zinc/64/01/85/552640185.db2.gz	HLJJXPLFQRSTOL-HNNXBMFYSA-N	1	0	366.469	1.985	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H](NC2CC[NH+]([C@H]3CCOC3)CC2)C1=O	ZINC000596045315	552649224	/nfs/dbraw/zinc/64/92/24/552649224.db2.gz	BQMDVKHDBQCLGT-HOTGVXAUSA-N	1	0	360.483	1.568	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]CCN2C[C@H]3CCCCN3C2=O)cc1	ZINC000596064305	552651573	/nfs/dbraw/zinc/65/15/73/552651573.db2.gz	FTUKFMZDSCRCNR-MSOLQXFVSA-N	1	0	372.469	1.372	20	30		FDEDRO
CCc1nc(C#N)cc(N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)n1	ZINC000596106810	552655737	/nfs/dbraw/zinc/65/57/37/552655737.db2.gz	DZTMDVPBBQMLGT-GOSISDBHSA-N	1	0	350.470	2.311	20	30		FDEDRO
N#Cc1cnnc(NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1	ZINC000596119213	552657142	/nfs/dbraw/zinc/65/71/42/552657142.db2.gz	ALADVWJNGHSYFT-QGZVFWFLSA-N	1	0	350.426	1.658	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nc3ncccc3cc2C#N)CC1	ZINC000596169207	552661424	/nfs/dbraw/zinc/66/14/24/552661424.db2.gz	SRJLFKAPRGSGGV-INIZCTEOSA-N	1	0	350.426	1.244	20	30		FDEDRO
Cc1cc(N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)cc(C#N)c1[N+](=O)[O-]	ZINC000596261677	552669322	/nfs/dbraw/zinc/66/93/22/552669322.db2.gz	TVMAERPMPXCDSC-HNNXBMFYSA-N	1	0	357.414	1.566	20	30		FDEDRO
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@@H]1CCc2cc(C#N)ccc21	ZINC000596580706	552691394	/nfs/dbraw/zinc/69/13/94/552691394.db2.gz	KALDUCKXXKXKNH-QGZVFWFLSA-N	1	0	357.458	1.207	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCc2cncn2C1	ZINC000596828923	552715521	/nfs/dbraw/zinc/71/55/21/552715521.db2.gz	NZWLOHZRBWULFM-GOSISDBHSA-N	1	0	351.454	1.908	20	30		FDEDRO
CCN(C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1)[C@H]1CC[N@H+](C)C1	ZINC000596877288	552720424	/nfs/dbraw/zinc/72/04/24/552720424.db2.gz	PIXXEHBLUZANAG-HIFRSBDPSA-N	1	0	364.471	1.930	20	30		FDEDRO
COC(=O)CN(CCN1CC[NH+](C)CC1)Cc1ccc(C2(C#N)CC2)cc1	ZINC000597122804	552750020	/nfs/dbraw/zinc/75/00/20/552750020.db2.gz	YNHXJXUYISBGLZ-UHFFFAOYSA-N	1	0	370.497	1.464	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NC(=O)CC2(C#N)CCOCC2)[C@H](C)C1	ZINC000597257448	552766180	/nfs/dbraw/zinc/76/61/80/552766180.db2.gz	SLSABJIMNIJKMV-IAGOWNOFSA-N	1	0	351.491	1.950	20	30		FDEDRO
C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCc1ccc(CC#N)cc1	ZINC000597348028	552778007	/nfs/dbraw/zinc/77/80/07/552778007.db2.gz	VGLANUMIXDOVFK-INIZCTEOSA-N	1	0	356.470	1.605	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@H]3CC34CC[NH2+]CC4)C2=O)cc1	ZINC000597442961	552790099	/nfs/dbraw/zinc/79/00/99/552790099.db2.gz	ZOPWTKSSPXPKNT-IRXDYDNUSA-N	1	0	367.453	1.100	20	30		FDEDRO
CCN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@@H]1CC[N@H+](C)C1	ZINC000597944445	552849122	/nfs/dbraw/zinc/84/91/22/552849122.db2.gz	CPHUDHKSHDKHRQ-OAHLLOKOSA-N	1	0	364.471	1.045	20	30		FDEDRO
C[C@@H](CCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[NH+](C)C	ZINC000597992005	552853528	/nfs/dbraw/zinc/85/35/28/552853528.db2.gz	IIEBRSYGTTYMOQ-BBRMVZONSA-N	1	0	371.441	1.220	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)NCC2CC[NH+](CC3CC3)CC2)cc1	ZINC000598539766	552907263	/nfs/dbraw/zinc/90/72/63/552907263.db2.gz	GGZLJOPBEBPUMN-UHFFFAOYSA-N	1	0	354.454	1.526	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1	ZINC000598558780	552909455	/nfs/dbraw/zinc/90/94/55/552909455.db2.gz	DCZITKHBDCEARS-QGZVFWFLSA-N	1	0	354.454	1.526	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[NH+]1CCN(C[C@H](O)COc2ccccc2)CC1	ZINC000598588245	552911822	/nfs/dbraw/zinc/91/18/22/552911822.db2.gz	JKZLFLUMDMMEKH-MSOLQXFVSA-N	1	0	361.486	1.345	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[NH+]1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1	ZINC000598594878	552912864	/nfs/dbraw/zinc/91/28/64/552912864.db2.gz	NGDUVGSGSNDYHC-HNNXBMFYSA-N	1	0	369.469	1.754	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1	ZINC000598721056	552928038	/nfs/dbraw/zinc/92/80/38/552928038.db2.gz	QYEGDNOUMFOLLH-MRXNPFEDSA-N	1	0	359.474	1.011	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCc2c(CC#N)cccc2C1)C[NH+]1CCN(C)CC1	ZINC000599004656	552957244	/nfs/dbraw/zinc/95/72/44/552957244.db2.gz	WEEIMOVJNIVSLE-KRWDZBQOSA-N	1	0	369.513	1.704	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1	ZINC000599101670	552967843	/nfs/dbraw/zinc/96/78/43/552967843.db2.gz	NVOVGBGNJSBNJS-ZIAGYGMSSA-N	1	0	361.389	1.847	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCC2([NH3+])CCOCC2)cc1Br	ZINC000599102613	552967973	/nfs/dbraw/zinc/96/79/73/552967973.db2.gz	NIHLJRHAEUSUCK-UHFFFAOYSA-N	1	0	374.260	1.107	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCC2([NH3+])CCOCC2)cc1C(F)(F)F	ZINC000599103315	552968179	/nfs/dbraw/zinc/96/81/79/552968179.db2.gz	RJCSSKKXMSBMIV-UHFFFAOYSA-N	1	0	363.361	1.363	20	30		FDEDRO
CC(C)[C@@H](C)NC(=O)C1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1	ZINC000599277286	553012421	/nfs/dbraw/zinc/01/24/21/553012421.db2.gz	KWVVQMATBBHVAA-SJLPKXTDSA-N	1	0	365.518	1.930	20	30		FDEDRO
COC(=O)CC[N@H+](C[C@H](O)CC1(C#N)CCOCC1)C[C@@H]1CCCO1	ZINC000599294470	553018025	/nfs/dbraw/zinc/01/80/25/553018025.db2.gz	DVKHNQHGJNRUSI-CVEARBPZSA-N	1	0	354.447	1.102	20	30		FDEDRO
CCC(C#N)(CC)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000599334611	553029852	/nfs/dbraw/zinc/02/98/52/553029852.db2.gz	IFMAHMLAZNJAAC-UHFFFAOYSA-N	1	0	358.490	1.825	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)CCOCC1	ZINC000599385623	553042182	/nfs/dbraw/zinc/04/21/82/553042182.db2.gz	KLXJYHCCXDJHIK-HZSPNIEDSA-N	1	0	350.381	1.693	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)CCOCC1	ZINC000599436386	553056099	/nfs/dbraw/zinc/05/60/99/553056099.db2.gz	JXQUIQISLDSNLM-PXNSSMCTSA-N	1	0	357.454	1.187	20	30		FDEDRO
COC(=O)c1cnc(C2CC[NH+](CCC(=O)N(C)CCC#N)CC2)s1	ZINC000599555253	553085462	/nfs/dbraw/zinc/08/54/62/553085462.db2.gz	FAOUWXIRMJBVQL-UHFFFAOYSA-N	1	0	364.471	1.871	20	30		FDEDRO
COC[C@H](C)NC(=O)NC(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1	ZINC000599632925	553108425	/nfs/dbraw/zinc/10/84/25/553108425.db2.gz	SYEZVVVWLISHLS-AWEZNQCLSA-N	1	0	374.441	1.014	20	30		FDEDRO
COC(=O)[C@@H]1CC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)[C@H]2CCC[C@H]21	ZINC000599645374	553112169	/nfs/dbraw/zinc/11/21/69/553112169.db2.gz	FDSVUOWVOWUHHC-TWMKSMIVSA-N	1	0	350.459	1.721	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@@H]4CCCC[C@@]43C)CC2)o1	ZINC000599674952	553118969	/nfs/dbraw/zinc/11/89/69/553118969.db2.gz	LTSRWWKMYUUUJC-KXBFYZLASA-N	1	0	357.458	1.768	20	30		FDEDRO
CCC1([NH+]2CCOCC2)CCN(C(=O)N=c2ccn(CCC#N)[nH]2)CC1	ZINC000599742269	553135771	/nfs/dbraw/zinc/13/57/71/553135771.db2.gz	YLJQPISGQHJCBE-UHFFFAOYSA-N	1	0	360.462	1.905	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)NCC[N@H+]3CC[C@H](O)C3)n2)c(Cl)c1	ZINC000599770992	553143320	/nfs/dbraw/zinc/14/33/20/553143320.db2.gz	PLFKFGPOTLARFI-ZDUSSCGKSA-N	1	0	374.832	1.585	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1C(F)(F)F	ZINC000599889641	553168395	/nfs/dbraw/zinc/16/83/95/553168395.db2.gz	CTLSMDSHQTWUDD-CYBMUJFWSA-N	1	0	366.343	1.916	20	30		FDEDRO
C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C[NH2+]1	ZINC000599896271	553170142	/nfs/dbraw/zinc/17/01/42/553170142.db2.gz	OSEJGQGYAJXTBS-BXKDBHETSA-N	1	0	365.231	1.516	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1	ZINC000599901016	553171313	/nfs/dbraw/zinc/17/13/13/553171313.db2.gz	XCERRMFTDDSPCW-CHWSQXEVSA-N	1	0	368.359	1.791	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)c(F)cc1C#N	ZINC000599933247	553176879	/nfs/dbraw/zinc/17/68/79/553176879.db2.gz	GQTOANSZAHGXNT-UHFFFAOYSA-N	1	0	362.405	1.633	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(OC)c(C#N)cc2F)CC1	ZINC000599943611	553180790	/nfs/dbraw/zinc/18/07/90/553180790.db2.gz	MSKRHEOSHUXRDZ-UHFFFAOYSA-N	1	0	374.416	1.801	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+](C)C2)c(F)cc1C#N	ZINC000600032567	553205418	/nfs/dbraw/zinc/20/54/18/553205418.db2.gz	VVYFFCIQLYRIRB-GFCCVEGCSA-N	1	0	362.405	1.493	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)cc1	ZINC000600228496	553233054	/nfs/dbraw/zinc/23/30/54/553233054.db2.gz	BXZRDIZDNFGZJL-SFHVURJKSA-N	1	0	354.454	1.811	20	30		FDEDRO
C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3ccc(C#N)c(Br)c3)C[C@H]21	ZINC000600669181	553297194	/nfs/dbraw/zinc/29/71/94/553297194.db2.gz	IUQIJMNRWNDRNO-IMRBUKKESA-N	1	0	370.272	1.501	20	30		FDEDRO
COc1ccc([C@@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)N2CCOCC2)cc1	ZINC000600714753	553306032	/nfs/dbraw/zinc/30/60/32/553306032.db2.gz	OZKVNUPQVWYCBC-PKOBYXMFSA-N	1	0	359.470	1.713	20	30		FDEDRO
CNC(=O)COc1cccc(C[NH2+]C[C@H](O)COc2ccccc2C#N)c1	ZINC000600718064	553306540	/nfs/dbraw/zinc/30/65/40/553306540.db2.gz	FOQCTIRMJWHPGQ-KRWDZBQOSA-N	1	0	369.421	1.213	20	30		FDEDRO
COC(=O)c1ccc(CC[NH2+]C[C@@H](O)COc2ccccc2C#N)cc1	ZINC000600717843	553306624	/nfs/dbraw/zinc/30/66/24/553306624.db2.gz	OHCATPSRWZWHHS-GOSISDBHSA-N	1	0	354.406	1.917	20	30		FDEDRO
CCN(Cc1ccccc1)C(=O)C[NH2+]C[C@@H](O)COc1ccccc1C#N	ZINC000600720172	553306733	/nfs/dbraw/zinc/30/67/33/553306733.db2.gz	HDWDNPVGFANRAU-LJQANCHMSA-N	1	0	367.449	1.936	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]CCNC(=O)c2cccc(Br)c2)CC1	ZINC000600723960	553307494	/nfs/dbraw/zinc/30/74/94/553307494.db2.gz	QWTBMNMBFCOUQO-CQSZACIVSA-N	1	0	366.259	1.823	20	30		FDEDRO
CCS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)cc1	ZINC000600729606	553308491	/nfs/dbraw/zinc/30/84/91/553308491.db2.gz	BLGSDNLPBQAXGD-MRXNPFEDSA-N	1	0	366.483	1.641	20	30		FDEDRO
COCCS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)CC2(C#N)CC2)cc1	ZINC000600735790	553309272	/nfs/dbraw/zinc/30/92/72/553309272.db2.gz	VIKLIRLPYCBJGE-OAHLLOKOSA-N	1	0	352.456	1.251	20	30		FDEDRO
Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@@H](O)COc1ccccc1C#N	ZINC000600742664	553310080	/nfs/dbraw/zinc/31/00/80/553310080.db2.gz	KAXAEEXSGKFWAM-RTBURBONSA-N	1	0	370.449	1.944	20	30		FDEDRO
CCc1nnc(N[C@@H]2CC(=O)N(CC[N@H+](C)CCOC)C2)c(C#N)c1CC	ZINC000601178733	553356914	/nfs/dbraw/zinc/35/69/14/553356914.db2.gz	YECXWODVODDRFW-CQSZACIVSA-N	1	0	374.489	1.064	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C	ZINC000601420679	553401155	/nfs/dbraw/zinc/40/11/55/553401155.db2.gz	FFZNMDJHDCTTJP-FZMZJTMJSA-N	1	0	351.428	1.058	20	30		FDEDRO
C[NH+](C)CC1CN(S(=O)(=O)c2cccc(Br)c2C#N)C1	ZINC000601423882	553402087	/nfs/dbraw/zinc/40/20/87/553402087.db2.gz	PRHJQRSGNAHNFV-UHFFFAOYSA-N	1	0	358.261	1.503	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1	ZINC000601425834	553402642	/nfs/dbraw/zinc/40/26/42/553402642.db2.gz	IGYBIGSERTUFMJ-UHFFFAOYSA-N	1	0	368.481	1.994	20	30		FDEDRO
Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000601469823	553414297	/nfs/dbraw/zinc/41/42/97/553414297.db2.gz	VTOUXBNCZNHUAD-INIZCTEOSA-N	1	0	369.462	1.737	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCCCC[C@H]([NH3+])C1	ZINC000601581957	553439753	/nfs/dbraw/zinc/43/97/53/553439753.db2.gz	MQBOALYWLSNCLT-SFHVURJKSA-N	1	0	354.454	1.803	20	30		FDEDRO
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1	ZINC000602088440	553517068	/nfs/dbraw/zinc/51/70/68/553517068.db2.gz	FDWSVRSVFGCPID-UHFFFAOYSA-N	1	0	374.460	1.704	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CCC(=O)Nc2c(F)cccc2F)CC1	ZINC000602097166	553518675	/nfs/dbraw/zinc/51/86/75/553518675.db2.gz	NVVPYJLCKOIOGU-UHFFFAOYSA-N	1	0	350.369	1.788	20	30		FDEDRO
C[N@H+](CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)CC(C)(C)C	ZINC000602145953	553527912	/nfs/dbraw/zinc/52/79/12/553527912.db2.gz	GTEUPMZDNUYGSM-QGZVFWFLSA-N	1	0	356.470	1.753	20	30		FDEDRO
N#CCCN1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1	ZINC000602204854	553539622	/nfs/dbraw/zinc/53/96/22/553539622.db2.gz	ZITIFTGGDDWCLO-IBGZPJMESA-N	1	0	356.470	1.242	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@H](O)[C@@H]3CCCO3)CC2)c1	ZINC000602331724	553564910	/nfs/dbraw/zinc/56/49/10/553564910.db2.gz	HWLNOXAIGUOJEN-OALUTQOASA-N	1	0	372.469	1.362	20	30		FDEDRO
C[C@H](CCC#N)C[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1	ZINC000602514631	553596828	/nfs/dbraw/zinc/59/68/28/553596828.db2.gz	OYJNIQYQACKOOQ-MRXNPFEDSA-N	1	0	365.503	1.063	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1	ZINC000602541560	553602304	/nfs/dbraw/zinc/60/23/04/553602304.db2.gz	QFQMTXPMOUFVSO-CHWSQXEVSA-N	1	0	371.359	1.931	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1	ZINC000602570726	553607088	/nfs/dbraw/zinc/60/70/88/553607088.db2.gz	IDXYIFUMJZCAOP-ZIAGYGMSSA-N	1	0	372.512	1.571	20	30		FDEDRO
CO[C@]1(C[NH+]2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CCOC1	ZINC000602709697	553626265	/nfs/dbraw/zinc/62/62/65/553626265.db2.gz	PMVQTUUBOPOKMI-FQEVSTJZSA-N	1	0	367.453	1.876	20	30		FDEDRO
Cc1ncc(CNC(=O)CC[NH+]2CCN(c3cc(C#N)ccn3)CC2)s1	ZINC000602762087	553633027	/nfs/dbraw/zinc/63/30/27/553633027.db2.gz	GZVMKBLAESDENU-UHFFFAOYSA-N	1	0	370.482	1.547	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H](c3cccnc3)C2)CC1	ZINC000602857424	553652782	/nfs/dbraw/zinc/65/27/82/553652782.db2.gz	WQWVRKIDVPDGNN-PMACEKPBSA-N	1	0	369.513	1.953	20	30		FDEDRO
C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C[C@@H](O)CC1(C#N)CCOCC1	ZINC000602909155	553666392	/nfs/dbraw/zinc/66/63/92/553666392.db2.gz	ZNXUYVCHNMNYMI-MSOLQXFVSA-N	1	0	365.518	1.633	20	30		FDEDRO
Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CCCC2(C#N)CCOCC2)cn1	ZINC000602939143	553674811	/nfs/dbraw/zinc/67/48/11/553674811.db2.gz	AJDNHOKWUSSUAV-KRWDZBQOSA-N	1	0	359.474	1.715	20	30		FDEDRO
Cc1cc(NC(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)ncc1C#N	ZINC000603122673	553712774	/nfs/dbraw/zinc/71/27/74/553712774.db2.gz	UIGKAOCAAYCUKP-QGZVFWFLSA-N	1	0	356.474	1.894	20	30		FDEDRO
C[NH2+][C@@H](C)c1cn(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)nn1	ZINC000603192332	553728059	/nfs/dbraw/zinc/72/80/59/553728059.db2.gz	YCSIVDKOFOCNNT-ZFWWWQNUSA-N	1	0	373.486	1.029	20	30		FDEDRO
N#Cc1ccc(CNC(=O)Cn2cc(CC[NH+]3CCCCC3)nn2)cc1	ZINC000603210104	553733360	/nfs/dbraw/zinc/73/33/60/553733360.db2.gz	FTXWAYPMPZHWKG-UHFFFAOYSA-N	1	0	352.442	1.495	20	30		FDEDRO
N#Cc1ccc(Cn2cc(CN3CC[NH2+]CC3)nn2)c(C(F)(F)F)c1	ZINC000603251392	553743012	/nfs/dbraw/zinc/74/30/12/553743012.db2.gz	PFXNMMDKBVRAQD-UHFFFAOYSA-N	1	0	350.348	1.622	20	30		FDEDRO
N#Cc1cc(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)ncc1Br	ZINC000603287693	553755372	/nfs/dbraw/zinc/75/53/72/553755372.db2.gz	RPKOBDVRNJPLLP-LLVKDONJSA-N	1	0	366.263	1.715	20	30		FDEDRO
C[NH+]1CCC2(CCN(S(=O)(=O)Cc3cc(C#N)ccc3F)C2)CC1	ZINC000603378979	553775950	/nfs/dbraw/zinc/77/59/50/553775950.db2.gz	JOCHFCWZWQBWPK-UHFFFAOYSA-N	1	0	351.447	1.945	20	30		FDEDRO
C[N@@H+]1CCCN(CCCNS(=O)(=O)c2ccccc2CC#N)CC1	ZINC000603401722	553780349	/nfs/dbraw/zinc/78/03/49/553780349.db2.gz	GXXBWDMCOQATHL-UHFFFAOYSA-N	1	0	350.488	1.059	20	30		FDEDRO
C[N@@H+]1CCCN(CCCNS(=O)(=O)Cc2ccc(CC#N)cc2)CC1	ZINC000603403276	553781033	/nfs/dbraw/zinc/78/10/33/553781033.db2.gz	NAYHIYNUDFDEGM-UHFFFAOYSA-N	1	0	364.515	1.200	20	30		FDEDRO
N#Cc1cccc(CC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)c1	ZINC000603409534	553781243	/nfs/dbraw/zinc/78/12/43/553781243.db2.gz	NFQJCPRASNUHHB-IBGZPJMESA-N	1	0	356.470	1.014	20	30		FDEDRO
COCCOCc1cc(C#N)ccc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC000603410752	553782010	/nfs/dbraw/zinc/78/20/10/553782010.db2.gz	KKRYRKQAMCDLQG-IBGZPJMESA-N	1	0	359.470	1.757	20	30		FDEDRO
COc1cc(C[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)ccc1C#N	ZINC000603428724	553786127	/nfs/dbraw/zinc/78/61/27/553786127.db2.gz	QBWORFKTUWNRRK-LJQANCHMSA-N	1	0	358.486	1.453	20	30		FDEDRO
COc1cc(C[NH2+]C2CCN(CC#N)CC2)cc(Cl)c1OCC(N)=O	ZINC000609334758	554367199	/nfs/dbraw/zinc/36/71/99/554367199.db2.gz	GELVAACURDPVMV-UHFFFAOYSA-N	1	0	366.849	1.290	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NC1CCN(CC#N)CC1	ZINC000609341138	554369538	/nfs/dbraw/zinc/36/95/38/554369538.db2.gz	MRQFVXBWXBQOFC-UHFFFAOYSA-N	1	0	361.465	1.887	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)CSc2nc(C)c(C)c(C)c2C#N)C1	ZINC000609347574	554370602	/nfs/dbraw/zinc/37/06/02/554370602.db2.gz	PZGOCPJSANKVLB-HNNXBMFYSA-N	1	0	362.499	1.808	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@H]1CCC[N@@H+](C)C1	ZINC000609383120	554373570	/nfs/dbraw/zinc/37/35/70/554373570.db2.gz	HZKFMOMUVDLFEV-HNNXBMFYSA-N	1	0	354.458	1.608	20	30		FDEDRO
CN(Cc1ccccc1)C(=O)NCCC(=O)NC1(C#N)CC[NH+](C)CC1	ZINC000609441274	554376884	/nfs/dbraw/zinc/37/68/84/554376884.db2.gz	MIPWWSGQLMQSHY-UHFFFAOYSA-N	1	0	357.458	1.322	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(NC(=O)N(C)Cc2ccc(C#N)cc2)CC1	ZINC000609451674	554377854	/nfs/dbraw/zinc/37/78/54/554377854.db2.gz	IMJDIIZAEMELOP-UHFFFAOYSA-N	1	0	371.485	1.642	20	30		FDEDRO
C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)N(C)CCC#N	ZINC000609574513	554396018	/nfs/dbraw/zinc/39/60/18/554396018.db2.gz	JFXOZUSMLVIYHX-UONOGXRCSA-N	1	0	366.487	1.348	20	30		FDEDRO
C[N@@H+]1CCCN(CCCNC(=O)c2cc3ccccc3n2CC#N)CC1	ZINC000609624118	554404271	/nfs/dbraw/zinc/40/42/71/554404271.db2.gz	ZYLWVRQOKMMUEH-UHFFFAOYSA-N	1	0	353.470	1.922	20	30		FDEDRO
CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3ccc(C#N)cc3F)C2)CC1	ZINC000609639735	554407073	/nfs/dbraw/zinc/40/70/73/554407073.db2.gz	MVYREWMKJZEFLL-MRXNPFEDSA-N	1	0	359.449	1.665	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC[N@H+](C[C@@H]2CCCO2)CC1	ZINC000610002392	554447724	/nfs/dbraw/zinc/44/77/24/554447724.db2.gz	FURHMAIVDFPPSL-ZIFCJYIRSA-N	1	0	350.507	1.616	20	30		FDEDRO
N#CCn1c(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc2ccccc21	ZINC000610527103	554523001	/nfs/dbraw/zinc/52/30/01/554523001.db2.gz	GYSIWUOHUOKNQA-MRXNPFEDSA-N	1	0	352.438	1.959	20	30		FDEDRO
N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1	ZINC000610678895	554547976	/nfs/dbraw/zinc/54/79/76/554547976.db2.gz	ZVFXAVFRWVGUQQ-UHFFFAOYSA-N	1	0	369.812	1.894	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC1	ZINC000610762543	554559192	/nfs/dbraw/zinc/55/91/92/554559192.db2.gz	GXNDBMNGLJWTPH-IBGZPJMESA-N	1	0	370.497	1.879	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]2C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1	ZINC000610913136	554580278	/nfs/dbraw/zinc/58/02/78/554580278.db2.gz	BEEQTVSBCLOAPV-PMACEKPBSA-N	1	0	368.481	1.897	20	30		FDEDRO
C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC2CCN(CC#N)CC2)CC1	ZINC000610973634	554589762	/nfs/dbraw/zinc/58/97/62/554589762.db2.gz	XTFVYAJTWBACDA-MRXNPFEDSA-N	1	0	370.501	1.894	20	30		FDEDRO
C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN(CCC#N)CC1	ZINC000611175602	554612431	/nfs/dbraw/zinc/61/24/31/554612431.db2.gz	JCLQJDXVJAVYLX-QUCCMNQESA-N	1	0	369.513	1.297	20	30		FDEDRO
CNC(=O)[C@@H](NC(=O)C[NH2+][C@@H](C)c1cccc(C#N)c1)c1ccccc1	ZINC000611388649	554630531	/nfs/dbraw/zinc/63/05/31/554630531.db2.gz	QWKHAIFHHOUMFC-LIRRHRJNSA-N	1	0	350.422	1.812	20	30		FDEDRO
COCC(=O)NC1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC000611518417	554641036	/nfs/dbraw/zinc/64/10/36/554641036.db2.gz	ZSZAEFAJUKFDFG-UHFFFAOYSA-N	1	0	367.453	1.686	20	30		FDEDRO
N#CCN1CCC(NC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1	ZINC000611620175	554656290	/nfs/dbraw/zinc/65/62/90/554656290.db2.gz	KAQQXLFBCBCCSB-LJQANCHMSA-N	1	0	371.485	1.040	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)C1	ZINC000612674533	554823067	/nfs/dbraw/zinc/82/30/67/554823067.db2.gz	CGUILJGERUOELQ-INIZCTEOSA-N	1	0	354.520	1.112	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1	ZINC000612727186	554831673	/nfs/dbraw/zinc/83/16/73/554831673.db2.gz	TXFKKLONRSTTQY-SJORKVTESA-N	1	0	359.474	1.631	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN(C(=O)C2CC2)CC1)C(C)C	ZINC000612728673	554831914	/nfs/dbraw/zinc/83/19/14/554831914.db2.gz	LXTKPFUIIBQAAZ-SFHVURJKSA-N	1	0	362.518	1.949	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)CC2)n1	ZINC000612810104	554843347	/nfs/dbraw/zinc/84/33/47/554843347.db2.gz	PCQKTXXALHNEON-QGZVFWFLSA-N	1	0	354.458	1.269	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1	ZINC000613388270	554920131	/nfs/dbraw/zinc/92/01/31/554920131.db2.gz	NBCQYQZZSIOGCB-RBUKOAKNSA-N	1	0	359.470	1.340	20	30		FDEDRO
CC1(C)CN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@@H+]1CCO	ZINC000614920023	555136780	/nfs/dbraw/zinc/13/67/80/555136780.db2.gz	BKMFGLARYVGNNF-UHFFFAOYSA-N	1	0	364.877	1.929	20	30		FDEDRO
N#C[C@@]1(F)CCN(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1	ZINC000615535655	555208594	/nfs/dbraw/zinc/20/85/94/555208594.db2.gz	VOHJJZDISWLNTO-IBGZPJMESA-N	1	0	359.449	1.846	20	30		FDEDRO
Cc1ccc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)c(OCC[NH+](C)C)c1	ZINC000615634173	555223530	/nfs/dbraw/zinc/22/35/30/555223530.db2.gz	VZGUTVIJACUQFH-SFHVURJKSA-N	1	0	362.405	1.338	20	30		FDEDRO
CCC(=O)N1CCC([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000617098426	555385462	/nfs/dbraw/zinc/38/54/62/555385462.db2.gz	XQCQLHFYKJNBJB-GOSISDBHSA-N	1	0	354.454	1.650	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CCN(CCN2CCOCC2)CC1	ZINC000618801723	555678891	/nfs/dbraw/zinc/67/88/91/555678891.db2.gz	BVAQVQJHYDGVSC-OAQYLSRUSA-N	1	0	354.498	1.932	20	30		FDEDRO
COCCN(CCC#N)C(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C	ZINC000619076403	555721631	/nfs/dbraw/zinc/72/16/31/555721631.db2.gz	AZVNIHNJJURZDB-INIZCTEOSA-N	1	0	374.441	1.399	20	30		FDEDRO
CC(C)[C@@H](CNS(=O)(=O)c1cccc(CC#N)c1)N1CC[NH+](C)CC1	ZINC000619486974	555786516	/nfs/dbraw/zinc/78/65/16/555786516.db2.gz	OJYKEODNRDEUDV-GOSISDBHSA-N	1	0	364.515	1.303	20	30		FDEDRO
CC1(C)C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C[C@]2(CCOC2)O1	ZINC000619516435	555793343	/nfs/dbraw/zinc/79/33/43/555793343.db2.gz	ASDFIMYEKPXSRP-PXNSSMCTSA-N	1	0	360.454	1.762	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C[C@]2(CCCOC2)O1	ZINC000619517032	555793513	/nfs/dbraw/zinc/79/35/13/555793513.db2.gz	BMNJRNQVBMMLKL-POAQFYNOSA-N	1	0	360.454	1.762	20	30		FDEDRO
CC[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C[C@@]2(CCOC2)O1	ZINC000619516257	555793629	/nfs/dbraw/zinc/79/36/29/555793629.db2.gz	RITIAQIWYWXZLY-QWFCFKBJSA-N	1	0	360.454	1.762	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](CC)[NH2+][C@@H](C)C2)c1	ZINC000620906917	556002553	/nfs/dbraw/zinc/00/25/53/556002553.db2.gz	YDBSRYHXFAOYHS-DZGCQCFKSA-N	1	0	351.472	1.363	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCC(=O)Nc2ccc3c(c2)OCCO3)CC1	ZINC000623634892	556459501	/nfs/dbraw/zinc/45/95/01/556459501.db2.gz	FBWAGTFXNNWGMG-UHFFFAOYSA-N	1	0	374.441	1.346	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)CC1(C)COC1	ZINC000624977292	556684005	/nfs/dbraw/zinc/68/40/05/556684005.db2.gz	DIQBBFUDTMBPBR-CVEARBPZSA-N	1	0	361.490	1.863	20	30		FDEDRO
Cc1nccn1CCC[N@@H+](C)CC#CCN1C(=O)c2ccccc2C1=O	ZINC000625268176	556759329	/nfs/dbraw/zinc/75/93/29/556759329.db2.gz	XJYGBUWLRPZQSN-UHFFFAOYSA-N	1	0	350.422	1.813	20	30		FDEDRO
CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000625530699	556842689	/nfs/dbraw/zinc/84/26/89/556842689.db2.gz	SACYOJZPKCDVAQ-GPMSIDNRSA-N	1	0	370.449	1.442	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1	ZINC000626888289	557215229	/nfs/dbraw/zinc/21/52/29/557215229.db2.gz	KTKLTJAAQRFBSA-WFASDCNBSA-N	1	0	359.430	1.189	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)c1	ZINC000628739569	557678680	/nfs/dbraw/zinc/67/86/80/557678680.db2.gz	MAFJFIDUEMRKEF-OAHLLOKOSA-N	1	0	365.499	1.613	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1	ZINC000632424402	558151792	/nfs/dbraw/zinc/15/17/92/558151792.db2.gz	LNNFHDBOLZZLDJ-UHFFFAOYSA-N	1	0	366.550	1.579	20	30		FDEDRO
C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)CCCN1CC[NH+](C)CC1	ZINC000632459134	558157601	/nfs/dbraw/zinc/15/76/01/558157601.db2.gz	FXBSRBRBRZATRR-IBGZPJMESA-N	1	0	365.543	1.731	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000632670805	558202837	/nfs/dbraw/zinc/20/28/37/558202837.db2.gz	APHRSBVXLISTCJ-MRXNPFEDSA-N	1	0	353.507	1.664	20	30		FDEDRO
C=CCn1c(COCCOC)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C	ZINC000634339400	558451956	/nfs/dbraw/zinc/45/19/56/558451956.db2.gz	FUYOLCXYVLBRKH-JKSUJKDBSA-N	1	0	351.495	1.794	20	30		FDEDRO
C=C(C)Cn1c(COCCOC)nnc1N1CC[NH+]([C@@H](C)CC)CC1	ZINC000634384512	558457550	/nfs/dbraw/zinc/45/75/50/558457550.db2.gz	AXRBBHYSGSLIQC-INIZCTEOSA-N	1	0	351.495	1.938	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1cc(C)nc(C)n1)C(C)C	ZINC000635038233	558560524	/nfs/dbraw/zinc/56/05/24/558560524.db2.gz	KJQPNVRNEJKHQK-MRXNPFEDSA-N	1	0	359.474	1.847	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000636707548	567882899	/nfs/dbraw/zinc/88/28/99/567882899.db2.gz	OYZMBXSKDOPYCU-INIZCTEOSA-N	1	0	364.534	1.380	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)C2)nc1	ZINC000291652454	568241857	/nfs/dbraw/zinc/24/18/57/568241857.db2.gz	NYGHDJQZTXRFSB-ZACQAIPSSA-N	1	0	355.442	1.743	20	30		FDEDRO
C=CCn1c(COC)nnc1N1CCCN(C2CC[NH+](CC)CC2)CC1	ZINC000643280410	568487828	/nfs/dbraw/zinc/48/78/28/568487828.db2.gz	NPGCLJXQMNMCOD-UHFFFAOYSA-N	1	0	362.522	1.607	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]CCn2cc(Br)cn2)cc1	ZINC000319133979	568591697	/nfs/dbraw/zinc/59/16/97/568591697.db2.gz	WQFHNCONLDWVLZ-AWEZNQCLSA-N	1	0	365.231	1.547	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCC3(CCOCC3)CC2)CC1	ZINC000367452716	568649759	/nfs/dbraw/zinc/64/97/59/568649759.db2.gz	VUMPJCFSHGFQGI-GOSISDBHSA-N	1	0	362.518	1.571	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)CC1	ZINC000823850158	607417283	/nfs/dbraw/zinc/41/72/83/607417283.db2.gz	KPFOPWPNSGTRQO-UHFFFAOYSA-N	1	0	350.426	1.317	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1cccc(-c2nn[nH]n2)c1	ZINC000824563109	608487100	/nfs/dbraw/zinc/48/71/00/608487100.db2.gz	LNUHUBNPPJIQMY-CYBMUJFWSA-N	1	0	361.409	1.705	20	30		FDEDRO
N#CC1(CS(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CC1	ZINC000274241091	674588508	/nfs/dbraw/zinc/58/85/08/674588508.db2.gz	UBXBCXDQCPRWTI-IRXDYDNUSA-N	1	0	363.483	1.093	20	30		FDEDRO
C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)C2(C#N)CCCC2)c1	ZINC000274303017	674589638	/nfs/dbraw/zinc/58/96/38/674589638.db2.gz	SSRBVVBOIHENLQ-UHFFFAOYSA-N	1	0	364.471	1.549	20	30		FDEDRO
C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)NC(C)=O	ZINC000008251212	670571664	/nfs/dbraw/zinc/57/16/64/670571664.db2.gz	PDIPZWOFDNKZNJ-UHFFFAOYSA-N	1	0	351.476	1.247	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](CC(C)C)[NH+](C)C)c1	ZINC000042586722	670924672	/nfs/dbraw/zinc/92/46/72/670924672.db2.gz	OKAXCAJKAAGUJZ-INIZCTEOSA-N	1	0	365.499	1.304	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1	ZINC000069279601	671380668	/nfs/dbraw/zinc/38/06/68/671380668.db2.gz	JTEZPDVVAHQWGD-UHFFFAOYSA-N	1	0	370.247	1.590	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)NC(C)C	ZINC000072593167	671394414	/nfs/dbraw/zinc/39/44/14/671394414.db2.gz	SKZBHDBTXUMJHW-UHFFFAOYSA-N	1	0	374.532	1.233	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)cc1	ZINC000091963817	671514083	/nfs/dbraw/zinc/51/40/83/671514083.db2.gz	HBBWAIBVUIXEGQ-CQSZACIVSA-N	1	0	351.472	1.833	20	30		FDEDRO
CN(CCNC(=[NH2+])NC1CCCCCC1)S(=O)(=O)c1cccs1	ZINC000092278672	671515971	/nfs/dbraw/zinc/51/59/71/671515971.db2.gz	FHGQSUQVHFOMPI-UHFFFAOYSA-N	1	0	358.533	1.996	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)cc1	ZINC000287314136	675914511	/nfs/dbraw/zinc/91/45/11/675914511.db2.gz	NRSDSSDJTXADEV-JSGCOSHPSA-N	1	0	350.444	1.540	20	30		FDEDRO
C=CCc1cc(OCC)cc(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)c1O	ZINC000116870041	671660104	/nfs/dbraw/zinc/66/01/04/671660104.db2.gz	CVGIUZAVVJBIDJ-OAHLLOKOSA-N	1	0	354.472	1.643	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1coc(S(=O)(=O)N(C)C)c1	ZINC000119038353	671669838	/nfs/dbraw/zinc/66/98/38/671669838.db2.gz	ZNFXSIUDOPEFCC-CYBMUJFWSA-N	1	0	356.444	1.420	20	30		FDEDRO
C#CCN1CCN(C(=O)CN2CCC[C@@H]2CC(=O)c2cccs2)CC1	ZINC000121753441	671709728	/nfs/dbraw/zinc/70/97/28/671709728.db2.gz	SJFOEBQLYIIPOX-MRXNPFEDSA-N	1	0	359.495	1.563	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)o1	ZINC000287896053	675935491	/nfs/dbraw/zinc/93/54/91/675935491.db2.gz	RVJZOXHNJDZUFB-HNNXBMFYSA-N	1	0	361.423	1.196	20	30		FDEDRO
C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N[C@@H]1C[C@@](C)(OC)C1(C)C	ZINC000127608637	671771011	/nfs/dbraw/zinc/77/10/11/671771011.db2.gz	NNSNIFGWNMACBX-RHSMWYFYSA-N	1	0	374.551	1.027	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCCOc2ccc(C(F)(F)F)cn2)CC1	ZINC000154331616	671920476	/nfs/dbraw/zinc/92/04/76/671920476.db2.gz	VLYPALHDGUUXKC-UHFFFAOYSA-N	1	0	355.360	1.941	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])ccc1F	ZINC000156609826	671957686	/nfs/dbraw/zinc/95/76/86/671957686.db2.gz	LCSFKALMDKWGQT-DOMZBBRYSA-N	1	0	369.462	1.489	20	30		FDEDRO
C=C(C)CNC(=[NH2+])NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1	ZINC000156997414	671962959	/nfs/dbraw/zinc/96/29/59/671962959.db2.gz	WPQYYFQNUUNLJN-UHFFFAOYSA-N	1	0	365.377	1.839	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cc(S(=O)(=O)NC)ccc1C	ZINC000178459239	672142217	/nfs/dbraw/zinc/14/22/17/672142217.db2.gz	CTDUPPOIZPJOHO-HNNXBMFYSA-N	1	0	366.483	1.794	20	30		FDEDRO
CC(C)(C)OCc1cc(CNC(=[NH2+])NCCCN2CCOCC2)no1	ZINC000185952777	672265817	/nfs/dbraw/zinc/26/58/17/672265817.db2.gz	XHROBMYHYYKHCR-UHFFFAOYSA-N	1	0	353.467	1.116	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C[C@@H]2CC[NH2+]C2)cc1	ZINC000189975446	672318234	/nfs/dbraw/zinc/31/82/34/672318234.db2.gz	ZSJHLKOBSXRINO-BPHPCYGNSA-N	1	0	364.471	1.438	20	30		FDEDRO
C[C@H]1CSCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000245862767	672467379	/nfs/dbraw/zinc/46/73/79/672467379.db2.gz	PJFUWFLUFGAGEN-LSDHHAIUSA-N	1	0	364.540	1.894	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)N(C)Cc1cc(Br)cn1C	ZINC000261720712	672658292	/nfs/dbraw/zinc/65/82/92/672658292.db2.gz	IIWGACUCKNAPOW-UHFFFAOYSA-N	1	0	372.311	1.127	20	30		FDEDRO
C[NH+]=C(NCC1(O)CCC1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1	ZINC000261776758	672670307	/nfs/dbraw/zinc/67/03/07/672670307.db2.gz	ORSIPDPEZKZACZ-UHFFFAOYSA-N	1	0	364.877	1.475	20	30		FDEDRO
C[NH+]=C(NCC(C)(C)C(N)=O)N(C)Cc1cc(Br)cn1C	ZINC000261777077	672670445	/nfs/dbraw/zinc/67/04/45/672670445.db2.gz	OVSXWPMKLVIHTE-UHFFFAOYSA-N	1	0	358.284	1.306	20	30		FDEDRO
C[NH+]=C(NC[C@@]1(O)CCSC1)N1CCN(c2cc(F)ccc2F)CC1	ZINC000261780113	672671251	/nfs/dbraw/zinc/67/12/51/672671251.db2.gz	PZDOLRPFTDBEIQ-KRWDZBQOSA-N	1	0	370.469	1.530	20	30		FDEDRO
CC[NH+]=C(NCC1CCSCC1)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000261784539	672671869	/nfs/dbraw/zinc/67/18/69/672671869.db2.gz	QIBNCNIAEASVIR-KRWDZBQOSA-N	1	0	354.564	1.749	20	30		FDEDRO
CCc1ccc(CNC(=[NH+]C)N2CCN(C(C)(C)C(N)=O)CC2)s1	ZINC000261862879	672685077	/nfs/dbraw/zinc/68/50/77/672685077.db2.gz	YRADABVVUMUZHI-UHFFFAOYSA-N	1	0	351.520	1.267	20	30		FDEDRO
C[NH+]=C(NC[C@H](O)c1ccc(C)cc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261949730	672700045	/nfs/dbraw/zinc/70/00/45/672700045.db2.gz	HAUPJXDQZZXLNL-HNNXBMFYSA-N	1	0	353.488	1.113	20	30		FDEDRO
C[NH+]=C(NCc1cccnc1N1CCN(C)CC1)NC[C@H]1CCCS1	ZINC000261959669	672702507	/nfs/dbraw/zinc/70/25/07/672702507.db2.gz	JTCKGYJWQLOPJG-MRXNPFEDSA-N	1	0	362.547	1.394	20	30		FDEDRO
CC[NH+]=C(NC[C@H]1CCCN1S(C)(=O)=O)N1CCS[C@H](CC)C1	ZINC000261963846	672703450	/nfs/dbraw/zinc/70/34/50/672703450.db2.gz	POIUQJVPLNJKMC-ZIAGYGMSSA-N	1	0	362.565	1.203	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NCc1cc(Br)c2c(c1)OCCO2	ZINC000262007820	672711033	/nfs/dbraw/zinc/71/10/33/672711033.db2.gz	SEXJBWLGXJVQLU-SECBINFHSA-N	1	0	358.236	1.660	20	30		FDEDRO
C[NH+]=C(NC[C@H](C)Oc1ccccc1C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000262015318	672712314	/nfs/dbraw/zinc/71/23/14/672712314.db2.gz	XOZAYOPAHXIFRM-HNNXBMFYSA-N	1	0	367.515	1.847	20	30		FDEDRO
C[NH+]=C(NCCN(C)Cc1ccccc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000262020455	672713092	/nfs/dbraw/zinc/71/30/92/672713092.db2.gz	YQKBHDWTLPXPSW-UHFFFAOYSA-N	1	0	366.531	1.203	20	30		FDEDRO
CC1(CNC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)CCOCC1	ZINC000262327592	672770592	/nfs/dbraw/zinc/77/05/92/672770592.db2.gz	AHZJXJIAUUBYJR-OAHLLOKOSA-N	1	0	371.547	1.716	20	30		FDEDRO
CC[C@H](C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@H]([C@@H]2CCOC2)C1	ZINC000262352342	672775270	/nfs/dbraw/zinc/77/52/70/672775270.db2.gz	FJQQXQMPZFIQSQ-LUKYLMHMSA-N	1	0	371.547	1.524	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1CCN(C(=O)C(C)C)CC1	ZINC000262386363	672781245	/nfs/dbraw/zinc/78/12/45/672781245.db2.gz	LKBCZDSMQJCPHN-XHSDSOJGSA-N	1	0	350.507	1.566	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCOC2(CCC2)C1	ZINC000262439041	672789668	/nfs/dbraw/zinc/78/96/68/672789668.db2.gz	UJCTUKMFPIRFIE-GJZGRUSLSA-N	1	0	357.520	1.466	20	30		FDEDRO
C[NH+]=C(NCc1ccc(Br)s1)NC[C@@H](O)c1cnn(C)c1	ZINC000262441640	672790109	/nfs/dbraw/zinc/79/01/09/672790109.db2.gz	SWNMWASJTPCHIH-LLVKDONJSA-N	1	0	372.292	1.643	20	30		FDEDRO
C[NH+]=C(NCCn1cncn1)N(C)Cc1ccccc1Br	ZINC000262601936	672815494	/nfs/dbraw/zinc/81/54/94/672815494.db2.gz	YVSLFDYNNCJZCD-UHFFFAOYSA-N	1	0	351.252	1.748	20	30		FDEDRO
C#CCNC(NCc1ccccc1S(=O)(=O)N1CCCCC1)=[NH+]CC	ZINC000262626797	672821091	/nfs/dbraw/zinc/82/10/91/672821091.db2.gz	TZKCKCGQLDSJLI-UHFFFAOYSA-N	1	0	362.499	1.550	20	30		FDEDRO
CS(=O)(=O)C1(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CCCC1	ZINC000262642023	672824248	/nfs/dbraw/zinc/82/42/48/672824248.db2.gz	IAPPSNDBFKOTPS-CQSZACIVSA-N	1	0	351.472	1.772	20	30		FDEDRO
[NH2+]=C(NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1)NC1CCCCC1	ZINC000262645419	672824390	/nfs/dbraw/zinc/82/43/90/672824390.db2.gz	IYLOLQOIIVDWRC-CYBMUJFWSA-N	1	0	370.544	1.996	20	30		FDEDRO
CN(C(=[NH2+])NCCNS(=O)(=O)c1cccc(Cl)c1Cl)C1CC1	ZINC000262680015	672829513	/nfs/dbraw/zinc/82/95/13/672829513.db2.gz	VSCHFIGWGAHPDZ-UHFFFAOYSA-N	1	0	365.286	1.681	20	30		FDEDRO
C[NH+]=C(NCC1(C(=O)N(C)C)CCCC1)NC[C@]1(C)CCCC[C@@H]1O	ZINC000262747623	672840911	/nfs/dbraw/zinc/84/09/11/672840911.db2.gz	ASVLHCJONWPHNY-YJBOKZPZSA-N	1	0	352.523	1.741	20	30		FDEDRO
C[NH+]=C(NC[C@@H](O)c1ccc(Cl)cc1)N[C@@H]1CCCn2nc(C)nc21	ZINC000262777963	672847809	/nfs/dbraw/zinc/84/78/09/672847809.db2.gz	KCFBQCRDRZLLJY-HUUCEWRRSA-N	1	0	362.865	1.973	20	30		FDEDRO
CS(=O)(=O)c1ccc(CNC(=[NH2+])N2CCOCC2)cc1C(F)(F)F	ZINC000262787371	672849484	/nfs/dbraw/zinc/84/94/84/672849484.db2.gz	NCJZLPAHVQKOGS-UHFFFAOYSA-N	1	0	365.377	1.256	20	30		FDEDRO
C[NH+]=C(NCc1cc(F)ccc1SC)N1CCN(C2CC2)C(=O)C1	ZINC000262826598	672851639	/nfs/dbraw/zinc/85/16/39/672851639.db2.gz	YLYBEIUGIWMEKM-UHFFFAOYSA-N	1	0	350.463	1.930	20	30		FDEDRO
C[NH+]=C(NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)NC(C)(C)C	ZINC000263112993	672862813	/nfs/dbraw/zinc/86/28/13/672862813.db2.gz	DZTCOPZZMIOMMF-UHFFFAOYSA-N	1	0	365.909	1.952	20	30		FDEDRO
CCS(=O)(=O)c1cc(Cl)cc(CNC(=[NH2+])N2CCO[C@H](C)C2)c1	ZINC000263167886	672865162	/nfs/dbraw/zinc/86/51/62/672865162.db2.gz	RNSCWHORQVHGCZ-LLVKDONJSA-N	1	0	359.879	1.669	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H](C(N)=O)C(C)(C)C)c(OC)c1	ZINC000264540686	672917439	/nfs/dbraw/zinc/91/74/39/672917439.db2.gz	BTYDZGWFPYJTHU-YOEHRIQHSA-N	1	0	350.459	1.653	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)/C=C/C[NH+](C)C)c1	ZINC000264668374	672921020	/nfs/dbraw/zinc/92/10/20/672921020.db2.gz	XTPHHFFBQRXYIK-YZEJKOKESA-N	1	0	364.471	1.556	20	30		FDEDRO
C#CCCS(=O)(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000289003895	676082450	/nfs/dbraw/zinc/08/24/50/676082450.db2.gz	ZJBPSFNZKVUXBQ-UHFFFAOYSA-N	1	0	363.527	1.527	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1nc(C(F)(F)F)cs1	ZINC000267047529	673240198	/nfs/dbraw/zinc/24/01/98/673240198.db2.gz	PZPNEWCHTMIPOD-UHFFFAOYSA-N	1	0	351.398	1.159	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NC[C@@]2(N(C)C)CCSC2)cc1OC	ZINC000267187687	673266224	/nfs/dbraw/zinc/26/62/24/673266224.db2.gz	NZUBBTMSDMQYQD-SFHVURJKSA-N	1	0	366.531	1.588	20	30		FDEDRO
C[NH+](C)CCCOC1CCN(S(=O)(=O)c2cncc(C#N)c2)CC1	ZINC000289559140	676152723	/nfs/dbraw/zinc/15/27/23/676152723.db2.gz	UXPWKHQQVOCPEX-UHFFFAOYSA-N	1	0	352.460	1.075	20	30		FDEDRO
C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1	ZINC000278924347	675219168	/nfs/dbraw/zinc/21/91/68/675219168.db2.gz	WVWIIGCSMLSIOE-LLVKDONJSA-N	1	0	358.261	1.645	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)/C=C/c2ccc(S(N)(=O)=O)cc2)CC1	ZINC000280883273	675466782	/nfs/dbraw/zinc/46/67/82/675466782.db2.gz	BGHWMLQNFZUVGE-VMPITWQZSA-N	1	0	363.483	1.504	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CCC[NH+]2CCCC2)cc1	ZINC000281627875	675538666	/nfs/dbraw/zinc/53/86/66/675538666.db2.gz	GHPQAKQJGUSUHT-UHFFFAOYSA-N	1	0	363.483	1.156	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1	ZINC000281800843	675561284	/nfs/dbraw/zinc/56/12/84/675561284.db2.gz	PZCRXIJUZURIMH-SOLBZPMBSA-N	1	0	364.515	1.965	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)C1=O	ZINC000282084354	675595944	/nfs/dbraw/zinc/59/59/44/675595944.db2.gz	UUHSIEWIYFYWEF-XJKSGUPXSA-N	1	0	351.472	1.374	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NCC1CCN(c2cc[nH+]cc2)CC1	ZINC000282245894	675615760	/nfs/dbraw/zinc/61/57/60/675615760.db2.gz	FDUVIHWPQZTEMG-AWEZNQCLSA-N	1	0	351.476	1.366	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](C)C)c(F)c1	ZINC000282802171	675641588	/nfs/dbraw/zinc/64/15/88/675641588.db2.gz	HEIOFIKHKYDZOL-ZDUSSCGKSA-N	1	0	351.397	1.977	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1	ZINC000282967623	675644616	/nfs/dbraw/zinc/64/46/16/675644616.db2.gz	WLASPYHWEDGHKP-RDJZCZTQSA-N	1	0	350.488	1.749	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C	ZINC000284456046	675714780	/nfs/dbraw/zinc/71/47/80/675714780.db2.gz	QDCHWYSIYLLTIZ-DZKIICNBSA-N	1	0	365.499	1.564	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC)cc1	ZINC000284960264	675771957	/nfs/dbraw/zinc/77/19/57/675771957.db2.gz	ZTMQGHSKNITMCO-STQMWFEESA-N	1	0	367.471	1.531	20	30		FDEDRO
C=C[C@H](CO)NC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1	ZINC000291142386	676245701	/nfs/dbraw/zinc/24/57/01/676245701.db2.gz	ZOONOJCCPGZPEV-OAHLLOKOSA-N	1	0	350.438	1.314	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1	ZINC000292720751	676307139	/nfs/dbraw/zinc/30/71/39/676307139.db2.gz	AMFQIBVOUVBZPO-UHFFFAOYSA-N	1	0	357.863	1.532	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1F	ZINC000293479057	676352445	/nfs/dbraw/zinc/35/24/45/676352445.db2.gz	RCUYOUOJVTYQFM-ZFWWWQNUSA-N	1	0	367.446	1.114	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(OCCOCC)cc1	ZINC000293730715	676362254	/nfs/dbraw/zinc/36/22/54/676362254.db2.gz	GRGULOGUQTXZRZ-UHFFFAOYSA-N	1	0	354.472	1.335	20	30		FDEDRO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+](CCO)CCO)sc2C1	ZINC000298244277	676444776	/nfs/dbraw/zinc/44/47/76/676444776.db2.gz	SMCSTCGVTQZRCT-LBPRGKRZSA-N	1	0	351.472	1.360	20	30		FDEDRO
COc1ccc([C@H](CNC(=[NH2+])N2CCSCC2)N(C)C)cc1OC	ZINC000303774887	676542763	/nfs/dbraw/zinc/54/27/63/676542763.db2.gz	GHTSITOCMARKSS-AWEZNQCLSA-N	1	0	352.504	1.670	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCCSCc1ccccc1F	ZINC000303779822	676542819	/nfs/dbraw/zinc/54/28/19/676542819.db2.gz	KVPKAWDVKHYOQQ-UHFFFAOYSA-N	1	0	354.495	1.686	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(CCCNC(=[NH2+])N2CCSCC2)CC1	ZINC000303867153	676543220	/nfs/dbraw/zinc/54/32/20/676543220.db2.gz	CRIAPDGIKZRHTI-UHFFFAOYSA-N	1	0	371.551	1.293	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NC[C@@H]1COC2(CCCCCC2)O1	ZINC000305842456	676545462	/nfs/dbraw/zinc/54/54/62/676545462.db2.gz	RQEZVKDXBCRSOG-MRXNPFEDSA-N	1	0	354.495	1.079	20	30		FDEDRO
C[C@H](CNC(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21)C[NH+]1CCCC1	ZINC000328623373	676600046	/nfs/dbraw/zinc/60/00/46/676600046.db2.gz	YVBGLSOXNGCXEF-OWCLPIDISA-N	1	0	357.520	1.674	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)CC[N@@H+]1C	ZINC000328690881	676602618	/nfs/dbraw/zinc/60/26/18/676602618.db2.gz	BTHVYOWCPATSLF-CABCVRRESA-N	1	0	372.535	1.273	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N2CCC(N3CCNC3=O)CC2)CCCCC1	ZINC000328794854	676607262	/nfs/dbraw/zinc/60/72/62/676607262.db2.gz	SSGPHZTXGDALQJ-UHFFFAOYSA-N	1	0	351.495	1.859	20	30		FDEDRO
CS(=O)(=O)N1CCC[C@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1	ZINC000328847143	676609320	/nfs/dbraw/zinc/60/93/20/676609320.db2.gz	XXQKQJQISWNEQZ-INIZCTEOSA-N	1	0	372.535	1.132	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N2CCCN(S(C)(=O)=O)CC2)CCCCCC1	ZINC000328867294	676610262	/nfs/dbraw/zinc/61/02/62/676610262.db2.gz	OEYRHQATFLIFLO-UHFFFAOYSA-N	1	0	374.551	1.522	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)CC1	ZINC000328938968	676612875	/nfs/dbraw/zinc/61/28/75/676612875.db2.gz	GZFKEPBNTHAZHW-GOEBONIOSA-N	1	0	352.479	1.842	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(S(C)(=O)=O)c2ccccc2C1	ZINC000328940270	676613157	/nfs/dbraw/zinc/61/31/57/676613157.db2.gz	SJRRCIDYXVTJEI-HNNXBMFYSA-N	1	0	366.487	1.276	20	30		FDEDRO
CC(C)N1C(=O)N[C@@H]2CN(C(=O)NCC3([NH+](C)C)CCCC3)CC[C@@H]21	ZINC000328960860	676614048	/nfs/dbraw/zinc/61/40/48/676614048.db2.gz	KMXHXDCGZRQIQM-CABCVRRESA-N	1	0	351.495	1.856	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2CCN(C)[C@@H](c3nc(C)no3)C2)CC1	ZINC000328986111	676614951	/nfs/dbraw/zinc/61/49/51/676614951.db2.gz	ZWHYHPFGIJWQOS-OAHLLOKOSA-N	1	0	350.467	1.107	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@]1(N2CCOCC2)CCSC1	ZINC000328998769	676615644	/nfs/dbraw/zinc/61/56/44/676615644.db2.gz	HCLFCTXBZNLYEL-WBVHZDCISA-N	1	0	357.520	1.119	20	30		FDEDRO
CC(C)N1C(=O)N[C@@H]2CN(C(=O)NC[C@]3([NH+](C)C)CCSC3)CC[C@@H]21	ZINC000329063809	676618099	/nfs/dbraw/zinc/61/80/99/676618099.db2.gz	OIEMNAALYFISLW-JKIFEVAISA-N	1	0	369.535	1.419	20	30		FDEDRO
O=C(NC[C@H]1CS(=O)(=O)CCO1)C1CC[NH+](Cc2ccccc2)CC1	ZINC000329096245	676619685	/nfs/dbraw/zinc/61/96/85/676619685.db2.gz	YFCRXZOLEZPDHS-KRWDZBQOSA-N	1	0	366.483	1.669	20	30		FDEDRO
CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)NC[C@@]1([NH+](C)C)CCSC1	ZINC000329101684	676620122	/nfs/dbraw/zinc/62/01/22/676620122.db2.gz	ZTXOYICGFIGYSA-HPFXQQBRSA-N	1	0	371.547	1.854	20	30		FDEDRO
O=C(NCCS(=O)(=O)c1ccccc1)N1CCC[C@@H]1C[NH+]1CCCC1	ZINC000329123501	676621309	/nfs/dbraw/zinc/62/13/09/676621309.db2.gz	RUNJQJFKZNVGKE-MRXNPFEDSA-N	1	0	365.499	1.935	20	30		FDEDRO
C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)C1CCC(NC(=O)C2CC2)CC1	ZINC000329201884	676624891	/nfs/dbraw/zinc/62/48/91/676624891.db2.gz	CATYRFDIWOVLSW-LHUBUQBQSA-N	1	0	351.491	1.825	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1	ZINC000329203215	676625152	/nfs/dbraw/zinc/62/51/52/676625152.db2.gz	CPSMHOVTVMRMJN-CVEARBPZSA-N	1	0	374.551	1.377	20	30		FDEDRO
C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)C1	ZINC000329220517	676626378	/nfs/dbraw/zinc/62/63/78/676626378.db2.gz	TWTTXBVGDHEUQY-HWMZRRJGSA-N	1	0	373.519	1.099	20	30		FDEDRO
COc1cnc(NC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)s1	ZINC000329242424	676627867	/nfs/dbraw/zinc/62/78/67/676627867.db2.gz	OHVCJKOFORKZCR-UHFFFAOYSA-N	1	0	353.492	1.657	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCOCC2(CC2)C1	ZINC000329329554	676633485	/nfs/dbraw/zinc/63/34/85/676633485.db2.gz	YLPKPEQTHIAVLO-GFCCVEGCSA-N	1	0	353.444	1.423	20	30		FDEDRO
C[C@H](CNC(=O)[C@H]1CSCN1C(=O)C1CCCC1)N1CC[NH+](C)CC1	ZINC000329331947	676633578	/nfs/dbraw/zinc/63/35/78/676633578.db2.gz	WKENZRYHRVMQBT-GDBMZVCRSA-N	1	0	368.547	1.671	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCCCC[C@H]2O)CC1=O	ZINC000329342405	676634074	/nfs/dbraw/zinc/63/40/74/676634074.db2.gz	SNWVQOKAPXORON-YLFCFFPRSA-N	1	0	351.491	1.969	20	30		FDEDRO
Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cn1C	ZINC000329343292	676634096	/nfs/dbraw/zinc/63/40/96/676634096.db2.gz	QAWAHPVUUNPPSH-LBPRGKRZSA-N	1	0	369.491	1.004	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCOC3(CCOCC3)C2)[C@@H](C)C1	ZINC000329575286	676644790	/nfs/dbraw/zinc/64/47/90/676644790.db2.gz	VNNIQPKVDUJLHQ-HRCADAONSA-N	1	0	355.479	1.016	20	30		FDEDRO
CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)C1	ZINC000329624226	676646675	/nfs/dbraw/zinc/64/66/75/676646675.db2.gz	HQLUHTLBGOOKGW-SOUVJXGZSA-N	1	0	359.536	1.824	20	30		FDEDRO
CC[C@@H]1CN(C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)CC[N@@H+]1C[C@H](C)O	ZINC000329728387	676652173	/nfs/dbraw/zinc/65/21/73/676652173.db2.gz	FNZGKCFDACHEOQ-BVIKNXMNSA-N	1	0	371.547	1.732	20	30		FDEDRO
CS[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)NC(C)C)C[C@@H]1[NH+]1CCCC1	ZINC000329770819	676654759	/nfs/dbraw/zinc/65/47/59/676654759.db2.gz	GHWIDWAKFQBUKY-HRCADAONSA-N	1	0	368.547	1.811	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCOC3(CCSCC3)C2)C[C@@H]1C	ZINC000329781600	676655498	/nfs/dbraw/zinc/65/54/98/676655498.db2.gz	NJBNKDZAJALUHB-HRCADAONSA-N	1	0	371.547	1.732	20	30		FDEDRO
CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCCS(=O)(=O)C2)C1	ZINC000329781559	676655602	/nfs/dbraw/zinc/65/56/02/676655602.db2.gz	NIBUYVYTQJHUSM-HUUCEWRRSA-N	1	0	359.536	1.968	20	30		FDEDRO
CCN(CC)C(=O)N1CCN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1	ZINC000329787496	676656276	/nfs/dbraw/zinc/65/62/76/676656276.db2.gz	YTCDFLPCEPTQRG-GOEBONIOSA-N	1	0	351.495	1.463	20	30		FDEDRO
COCC[C@@H]1COCCN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000329841698	676660129	/nfs/dbraw/zinc/66/01/29/676660129.db2.gz	WVXIXBPYQQKUDJ-BRWVUGGUSA-N	1	0	355.479	1.016	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)N[C@H]1CCCS(=O)(=O)C1)[NH+]1CCC(C)CC1	ZINC000329843050	676660260	/nfs/dbraw/zinc/66/02/60/676660260.db2.gz	NYJVZIHYINSYAS-JKSUJKDBSA-N	1	0	359.536	1.824	20	30		FDEDRO
CO[C@H]1C[C@H](C(=O)NC[C@H](C)C[NH+]2CCCCC2)N(S(C)(=O)=O)C1	ZINC000329844597	676660484	/nfs/dbraw/zinc/66/04/84/676660484.db2.gz	LIZYDNITDNJDDU-SOUVJXGZSA-N	1	0	361.508	1.114	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@H](C)O[C@]3(CCOC3)C2)C1	ZINC000329947228	676665006	/nfs/dbraw/zinc/66/50/06/676665006.db2.gz	YFSFVGRQZAIYAZ-LZLYRXPVSA-N	1	0	355.479	1.137	20	30		FDEDRO
CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NCC[N@@H+]1CCCOCC1	ZINC000329950393	676665232	/nfs/dbraw/zinc/66/52/32/676665232.db2.gz	HTKLXNDIHBUDKH-HNNXBMFYSA-N	1	0	361.508	1.260	20	30		FDEDRO
C[C@]1(C2CC2)NC(=O)N(CC(=O)NCC[N@@H+]2CCCC(C)(C)C2)C1=O	ZINC000329973781	676666288	/nfs/dbraw/zinc/66/62/88/676666288.db2.gz	YWEPXAYWKIIKNV-GOSISDBHSA-N	1	0	350.463	1.990	20	30		FDEDRO
N#CC1(CS(=O)(=O)N2CCN(C[C@H]3CCOC3)CC2)CCCCC1	ZINC000330014227	676668531	/nfs/dbraw/zinc/66/85/31/676668531.db2.gz	MUWHYRVHJJIKPW-MRXNPFEDSA-N	1	0	355.504	1.444	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)N2C[C@@H](OC)C[C@@H]2c2nc(C)no2)CC1	ZINC000330178792	676676852	/nfs/dbraw/zinc/67/68/52/676676852.db2.gz	LWWFWHUDDYTOHI-LSDHHAIUSA-N	1	0	351.451	1.928	20	30		FDEDRO
C[C@H](NC(=O)N1CC[C@H](CS(C)(=O)=O)C1)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000330238294	676680252	/nfs/dbraw/zinc/68/02/52/676680252.db2.gz	ZTNJMYSWHYUMKN-JYJNAYRXSA-N	1	0	371.547	1.920	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1	ZINC000330377853	676686852	/nfs/dbraw/zinc/68/68/52/676686852.db2.gz	QOBWYFSEAPKNOJ-ZACQAIPSSA-N	1	0	372.535	1.430	20	30		FDEDRO
C[NH+](C)Cc1ccc(CNC(=O)N[C@@H]2CCC(=O)NC2(C)C)cc1F	ZINC000330441375	676690916	/nfs/dbraw/zinc/69/09/16/676690916.db2.gz	QGMYSYFGKMGUJB-OAHLLOKOSA-N	1	0	350.438	1.948	20	30		FDEDRO
CCS(=O)(=O)N1CCC(NC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1	ZINC000330481804	676692951	/nfs/dbraw/zinc/69/29/51/676692951.db2.gz	QKJANXKWDUQVDJ-OAHLLOKOSA-N	1	0	374.551	1.425	20	30		FDEDRO
C[NH+](C)CCCC1CCN(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CC1	ZINC000330556157	676696695	/nfs/dbraw/zinc/69/66/95/676696695.db2.gz	FONWVOSSUFVWNJ-INIZCTEOSA-N	1	0	374.551	1.378	20	30		FDEDRO
C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cn(CC(=O)N(C)C)nn1	ZINC000330568704	676696882	/nfs/dbraw/zinc/69/68/82/676696882.db2.gz	NKDLNWWTGUXILJ-MJBXVCDLSA-N	1	0	350.467	1.037	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@]1(C)O	ZINC000330593127	676697608	/nfs/dbraw/zinc/69/76/08/676697608.db2.gz	WGIPJCILJOXHSF-RTYCURFASA-N	1	0	351.491	1.681	20	30		FDEDRO
CN(C)S(=O)(=O)c1ccccc1NC(=O)NCC[NH+]1CCCCC1	ZINC000330786844	676704108	/nfs/dbraw/zinc/70/41/08/676704108.db2.gz	WGBBUSFYEPTPIG-UHFFFAOYSA-N	1	0	354.476	1.749	20	30		FDEDRO
CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(S(C)(=O)=O)s1	ZINC000330977886	676712331	/nfs/dbraw/zinc/71/23/31/676712331.db2.gz	WFOGRRBLZJFHIQ-ZDUSSCGKSA-N	1	0	359.517	1.838	20	30		FDEDRO
C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CC[C@@H](CS(C)(=O)=O)C2)C1	ZINC000331095163	676716498	/nfs/dbraw/zinc/71/64/98/676716498.db2.gz	BBOPBOVDDHTUKA-OWCLPIDISA-N	1	0	359.536	1.635	20	30		FDEDRO
C[NH+](C)C[C@H]1CCN(C(=O)NCc2cccc(NS(C)(=O)=O)c2)C1	ZINC000331138640	676718365	/nfs/dbraw/zinc/71/83/65/676718365.db2.gz	DOBYQOASWDIKPJ-CQSZACIVSA-N	1	0	354.476	1.356	20	30		FDEDRO
CSC[C@@H]1CCC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1	ZINC000331165390	676719478	/nfs/dbraw/zinc/71/94/78/676719478.db2.gz	GRAUAMSALNFJCI-SJORKVTESA-N	1	0	352.548	1.754	20	30		FDEDRO
CNS(=O)(=O)c1ccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)nc1	ZINC000331167660	676719673	/nfs/dbraw/zinc/71/96/73/676719673.db2.gz	MWSVSGLTGVKNTE-UHFFFAOYSA-N	1	0	369.491	1.436	20	30		FDEDRO
CN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)nc1	ZINC000331266116	676724822	/nfs/dbraw/zinc/72/48/22/676724822.db2.gz	QCUQQYXVXNGBOR-NEPJUHHUSA-N	1	0	355.464	1.141	20	30		FDEDRO
Cn1cc([C@H]2CCCC[N@@H+]2CCC(=O)NC(=O)NCC(F)(F)F)cn1	ZINC000331317781	676727063	/nfs/dbraw/zinc/72/70/63/676727063.db2.gz	DJEIHWDVIKGPNQ-GFCCVEGCSA-N	1	0	361.368	1.930	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1	ZINC000332685758	676744256	/nfs/dbraw/zinc/74/42/56/676744256.db2.gz	IZPNDMOZNJGLHO-CVEARBPZSA-N	1	0	364.515	1.749	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C	ZINC000332685178	676744265	/nfs/dbraw/zinc/74/42/65/676744265.db2.gz	MTZYILOXVBPPTO-XYJFISCASA-N	1	0	351.491	1.862	20	30		FDEDRO
N#Cc1nc(N2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)ccc1Cl	ZINC000362136804	676909642	/nfs/dbraw/zinc/90/96/42/676909642.db2.gz	MZUUULVOIDYAGW-GFCCVEGCSA-N	1	0	354.863	1.352	20	30		FDEDRO
C=CCNc1ncc(C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)s1	ZINC000363706499	676969734	/nfs/dbraw/zinc/96/97/34/676969734.db2.gz	BWMSNFFJHWXCAY-OAHLLOKOSA-N	1	0	363.531	1.982	20	30		FDEDRO
C[C@@H]1C[C@H](CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)CCO1	ZINC000364268984	677003720	/nfs/dbraw/zinc/00/37/20/677003720.db2.gz	YDMNARKMTHZCFH-KFWWJZLASA-N	1	0	352.479	1.682	20	30		FDEDRO
CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1CCC(=O)Nc1sccc1C#N	ZINC000364338183	677008950	/nfs/dbraw/zinc/00/89/50/677008950.db2.gz	OQFMYCIKTTZRST-KGLIPLIRSA-N	1	0	365.455	1.991	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC(OC[C@@H]3CCOC3)CC2)CC1	ZINC000364641108	677037964	/nfs/dbraw/zinc/03/79/64/677037964.db2.gz	CMZBGHOUXOPOGJ-MRXNPFEDSA-N	1	0	351.491	1.864	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@H]1CO	ZINC000366658591	677458161	/nfs/dbraw/zinc/45/81/61/677458161.db2.gz	XAKCBYYUONDAAZ-IRXDYDNUSA-N	1	0	363.483	1.477	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000367205381	677490381	/nfs/dbraw/zinc/49/03/81/677490381.db2.gz	ONTVGGHIAUJKNF-FGTMMUONSA-N	1	0	351.491	1.721	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(S(N)(=O)=O)CC1)C(C)C	ZINC000368189559	677498767	/nfs/dbraw/zinc/49/87/67/677498767.db2.gz	IBSYLMOYDFLXEO-INIZCTEOSA-N	1	0	372.535	1.148	20	30		FDEDRO
CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCC(C#N)(c3ccccn3)CC2)C1	ZINC000368513053	677500210	/nfs/dbraw/zinc/50/02/10/677500210.db2.gz	AGAXDWLCZFRKRF-INIZCTEOSA-N	1	0	362.499	1.610	20	30		FDEDRO
C#CCNC(=O)C1CCN(CC(=O)N2CCC[C@H]2c2cccs2)CC1	ZINC000368824690	677501851	/nfs/dbraw/zinc/50/18/51/677501851.db2.gz	RUCBKLSCNWRBFK-INIZCTEOSA-N	1	0	359.495	1.873	20	30		FDEDRO
C=CCCCCCN(C)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000369608487	677506627	/nfs/dbraw/zinc/50/66/27/677506627.db2.gz	ZONVXRXKCBTIPX-SFHVURJKSA-N	1	0	352.523	1.781	20	30		FDEDRO
CCN1CCO[C@@H](CN2CCN(c3snc(Cl)c3C#N)CC2)C1	ZINC000369695022	677510986	/nfs/dbraw/zinc/51/09/86/677510986.db2.gz	FVNHHCIDGUQMAI-GFCCVEGCSA-N	1	0	355.895	1.511	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c1	ZINC000370729835	677609397	/nfs/dbraw/zinc/60/93/97/677609397.db2.gz	KXEPCOXXAIFTAT-QWRGUYRKSA-N	1	0	362.224	1.299	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1CCCN(CC(=O)N(CC)CC)CC1)OCC	ZINC000371056804	677642902	/nfs/dbraw/zinc/64/29/02/677642902.db2.gz	XIPJGPLWUWARMX-QGZVFWFLSA-N	1	0	353.507	1.760	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N1CCC[C@H]([NH+]2CCCCCC2)C1	ZINC000374455763	678081985	/nfs/dbraw/zinc/08/19/85/678081985.db2.gz	DKQHNKINXHEJPT-KRWDZBQOSA-N	1	0	372.535	1.434	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1	ZINC000374544026	678086440	/nfs/dbraw/zinc/08/64/40/678086440.db2.gz	PGDURTPDPPUBNQ-IPYPFGDCSA-N	1	0	356.517	1.809	20	30		FDEDRO
CC(C)(C#N)CCCC[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1	ZINC000375717038	678161052	/nfs/dbraw/zinc/16/10/52/678161052.db2.gz	DWKSXWXZQFIRAL-INIZCTEOSA-N	1	0	357.520	1.833	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)N1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1	ZINC000376409971	678297873	/nfs/dbraw/zinc/29/78/73/678297873.db2.gz	OCUTZVFWPARKBM-HOCLYGCPSA-N	1	0	357.520	1.682	20	30		FDEDRO
N#Cc1cc(F)ccc1CN1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1	ZINC000376798467	678381993	/nfs/dbraw/zinc/38/19/93/678381993.db2.gz	HQXWDQNDSLINBC-KRWDZBQOSA-N	1	0	351.447	1.438	20	30		FDEDRO
CC(C)(O)C[N@@H+]1CCCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1	ZINC000377286648	678506393	/nfs/dbraw/zinc/50/63/93/678506393.db2.gz	AGDYGXDIJBNTRO-UHFFFAOYSA-N	1	0	351.472	1.167	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CCN2CCC(C[NH+]3CCCC3)CC2)nc1	ZINC000377526418	678554852	/nfs/dbraw/zinc/55/48/52/678554852.db2.gz	VMQYSKQRHRLSSP-UHFFFAOYSA-N	1	0	362.499	1.535	20	30		FDEDRO
CCC[NH+]1CCC(N2CCN(S(=O)(=O)CCC(C)(C)C#N)CC2)CC1	ZINC000377889694	678643301	/nfs/dbraw/zinc/64/33/01/678643301.db2.gz	PULPSTHFNBYXPE-UHFFFAOYSA-N	1	0	370.563	1.748	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1	ZINC000410124278	678880185	/nfs/dbraw/zinc/88/01/85/678880185.db2.gz	JLYVCDJWFHVQBI-HZPDHXFCSA-N	1	0	352.504	1.823	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@H](OCC[NH+](CC)CC)C1	ZINC000410148361	678885963	/nfs/dbraw/zinc/88/59/63/678885963.db2.gz	CRRPSHXHGAOFRL-HOTGVXAUSA-N	1	0	360.524	1.145	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+]CCC(=O)Nc1cc(OC)c(OC)c(OC)c1	ZINC000411780971	679071942	/nfs/dbraw/zinc/07/19/42/679071942.db2.gz	BATUQIZBSNUBQR-KGLIPLIRSA-N	1	0	350.415	1.974	20	30		FDEDRO
CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)[C@H]([NH3+])CCCC#N)cc1	ZINC000424100087	680829768	/nfs/dbraw/zinc/82/97/68/680829768.db2.gz	HERJWFASJSKZQK-MRXNPFEDSA-N	1	0	366.487	1.152	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NCCNC(=O)c1ccc(Br)cc1	ZINC000424104726	680829906	/nfs/dbraw/zinc/82/99/06/680829906.db2.gz	UFLMDTRHPSZJIY-ZDUSSCGKSA-N	1	0	367.247	1.316	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](C[NH2+]C)C2)cc1	ZINC000414890197	679372465	/nfs/dbraw/zinc/37/24/65/679372465.db2.gz	HEAMLEXPVCNSSD-AWEZNQCLSA-N	1	0	366.487	1.566	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]([NH2+]C)C2)cc1	ZINC000414894954	679372762	/nfs/dbraw/zinc/37/27/62/679372762.db2.gz	MDFYCLUQFFFJSL-HNNXBMFYSA-N	1	0	366.487	1.709	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H](C)C[NH2+]C)cc1	ZINC000414892580	679372785	/nfs/dbraw/zinc/37/27/85/679372785.db2.gz	JIPSYKJNCZHCDF-CYBMUJFWSA-N	1	0	354.476	1.470	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)C(=O)NCCC[NH3+]	ZINC000415291173	679402972	/nfs/dbraw/zinc/40/29/72/679402972.db2.gz	JBBHKNIDPKPURL-UHFFFAOYSA-N	1	0	356.220	1.417	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC(C[NH3+])CC2)cc1Br	ZINC000415310565	679406291	/nfs/dbraw/zinc/40/62/91/679406291.db2.gz	PJPNRUVSDHESPR-UHFFFAOYSA-N	1	0	365.231	1.457	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000415320377	679407927	/nfs/dbraw/zinc/40/79/27/679407927.db2.gz	VWURXNOJPOQKRQ-CQSZACIVSA-N	1	0	355.364	1.824	20	30		FDEDRO
C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000415329588	679409070	/nfs/dbraw/zinc/40/90/70/679409070.db2.gz	DKZAGNPYVMBOLY-VIFPVBQESA-N	1	0	351.204	1.080	20	30		FDEDRO
C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1	ZINC000415360067	679414044	/nfs/dbraw/zinc/41/40/44/679414044.db2.gz	LPXJKDXNRIKAKK-GFCCVEGCSA-N	1	0	365.231	1.470	20	30		FDEDRO
N#Cc1ncc(NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)cc1Cl	ZINC000415457253	679433625	/nfs/dbraw/zinc/43/36/25/679433625.db2.gz	XDXAKVNFBGQHJH-UHFFFAOYSA-N	1	0	363.849	1.974	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1	ZINC000415559863	679451730	/nfs/dbraw/zinc/45/17/30/679451730.db2.gz	FJYMGAHANAWXBY-NXEZZACHSA-N	1	0	365.231	1.455	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1	ZINC000415594272	679460667	/nfs/dbraw/zinc/46/06/67/679460667.db2.gz	GBLQOCICARSHJF-LALPHHSUSA-N	1	0	350.444	1.492	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@](C)(C[NH3+])C2CC2)cc1	ZINC000415601571	679462696	/nfs/dbraw/zinc/46/26/96/679462696.db2.gz	PSHIBKXSURPMRJ-BDJLRTHQSA-N	1	0	350.444	1.621	20	30		FDEDRO
C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1	ZINC000415684138	679478942	/nfs/dbraw/zinc/47/89/42/679478942.db2.gz	DULSVWMPWHUPCB-OAHLLOKOSA-N	1	0	365.231	1.457	20	30		FDEDRO
N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1	ZINC000415769251	679496323	/nfs/dbraw/zinc/49/63/23/679496323.db2.gz	WLIICILIWSGAJM-CQSZACIVSA-N	1	0	360.845	1.998	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000416367891	679586679	/nfs/dbraw/zinc/58/66/79/679586679.db2.gz	GUEZLQXCDUQLHX-MRXNPFEDSA-N	1	0	350.488	1.026	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000416371124	679589390	/nfs/dbraw/zinc/58/93/90/679589390.db2.gz	KXWBXCJDGSWJGZ-QGZVFWFLSA-N	1	0	364.515	1.416	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C)c1ccc(F)c(F)c1	ZINC000419679053	680317945	/nfs/dbraw/zinc/31/79/45/680317945.db2.gz	PBWKJVUKFOQTNF-UVBJJODRSA-N	1	0	351.397	1.812	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)c1ccc(F)c(F)c1	ZINC000419678949	680317957	/nfs/dbraw/zinc/31/79/57/680317957.db2.gz	OUMYFMDZCUSKKO-GHJWDPDVSA-N	1	0	351.397	1.942	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(F)c(F)c1	ZINC000419678951	680318109	/nfs/dbraw/zinc/31/81/09/680318109.db2.gz	OUMYFMDZCUSKKO-KFNAQCHYSA-N	1	0	351.397	1.942	20	30		FDEDRO
C=C(C)[C@@H](NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)c1ccc(F)c(F)c1	ZINC000419686123	680320684	/nfs/dbraw/zinc/32/06/84/680320684.db2.gz	YMKSHYNESRYZCN-BFQNTYOBSA-N	1	0	351.397	1.907	20	30		FDEDRO
C[C@H]1CN(C)CCN1C(=O)C(=O)Nc1cccc(C#N)c1Br	ZINC000419694804	680325326	/nfs/dbraw/zinc/32/53/26/680325326.db2.gz	LPPOSDARDKHLBY-JTQLQIEISA-N	1	0	365.231	1.422	20	30		FDEDRO
C[C@@H]1CN(C)CCN1C(=O)C(=O)Nc1cccc(C#N)c1Br	ZINC000419694806	680325406	/nfs/dbraw/zinc/32/54/06/680325406.db2.gz	LPPOSDARDKHLBY-SNVBAGLBSA-N	1	0	365.231	1.422	20	30		FDEDRO
C[C@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000420421067	680444232	/nfs/dbraw/zinc/44/42/32/680444232.db2.gz	FKCBXAYKOJDBOP-RNCFNFMXSA-N	1	0	358.261	1.740	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1F	ZINC000420452487	680459045	/nfs/dbraw/zinc/45/90/45/680459045.db2.gz	WIFIRQZUGLGHMU-CVEARBPZSA-N	1	0	353.419	1.214	20	30		FDEDRO
CC(C)(C)[C@H](C[NH3+])NS(=O)(=O)c1cccc(Br)c1C#N	ZINC000420456188	680460712	/nfs/dbraw/zinc/46/07/12/680460712.db2.gz	ZCHHOJSRCOKBGB-LBPRGKRZSA-N	1	0	360.277	1.972	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1	ZINC000420770774	680551158	/nfs/dbraw/zinc/55/11/58/680551158.db2.gz	QSIIVAZAUIQLKT-HNNXBMFYSA-N	1	0	351.472	1.317	20	30		FDEDRO
CNC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1	ZINC000420981318	680584970	/nfs/dbraw/zinc/58/49/70/680584970.db2.gz	WAASAMYXPPYGBX-LBPRGKRZSA-N	1	0	360.483	1.895	20	30		FDEDRO
C[C@H]([NH2+][C@H](CO)c1ccc(Br)cc1)C(=O)N(C)CCC#N	ZINC000428798703	681014714	/nfs/dbraw/zinc/01/47/14/681014714.db2.gz	BTTXLIMOLPRIMC-SMDDNHRTSA-N	1	0	354.248	1.833	20	30		FDEDRO
C[C@H](CC[NH+](C)C)NS(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000433881873	681217669	/nfs/dbraw/zinc/21/76/69/681217669.db2.gz	XAUNFUWVMLYWJU-SNVBAGLBSA-N	1	0	360.277	1.939	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)s1	ZINC000435426227	681592901	/nfs/dbraw/zinc/59/29/01/681592901.db2.gz	HBZJGXDZUJHMLY-GJZGRUSLSA-N	1	0	369.512	1.666	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N(Cc1scnc1C)C[C@H]1CC[NH2+]C1	ZINC000436053972	681659824	/nfs/dbraw/zinc/65/98/24/681659824.db2.gz	OXHSNJZODFZOCL-KBPBESRZSA-N	1	0	365.503	1.263	20	30		FDEDRO
CSCCC[N@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000439488169	681931306	/nfs/dbraw/zinc/93/13/06/681931306.db2.gz	YNTPSFNZCZXNHJ-UHFFFAOYSA-N	1	0	351.476	1.188	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N(CCC)[C@@H]2CC[NH2+]C2)c1	ZINC000440332707	681986836	/nfs/dbraw/zinc/98/68/36/681986836.db2.gz	ADPDCAQYTHHILO-OAHLLOKOSA-N	1	0	351.472	1.365	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)NCC[N@@H+]1CCCC(C)(C)C1	ZINC000443965547	682367088	/nfs/dbraw/zinc/36/70/88/682367088.db2.gz	AXGNOLHQEJLNOJ-UHFFFAOYSA-N	1	0	351.472	1.967	20	30		FDEDRO
C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1	ZINC000448596748	682624082	/nfs/dbraw/zinc/62/40/82/682624082.db2.gz	HIKARQLGWVQDEW-CYBMUJFWSA-N	1	0	360.845	1.775	20	30		FDEDRO
N#Cc1c(Br)cccc1OCC(=O)NCC[NH+]1CCCC1	ZINC000449189860	682669450	/nfs/dbraw/zinc/66/94/50/682669450.db2.gz	VEVQHXAZWYXIJB-UHFFFAOYSA-N	1	0	352.232	1.912	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c1	ZINC000449640536	682693283	/nfs/dbraw/zinc/69/32/83/682693283.db2.gz	SHUNISJMYRBVMA-HIFRSBDPSA-N	1	0	351.472	1.398	20	30		FDEDRO
C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2cccc(C#N)c2Br)CC1	ZINC000451086992	682813539	/nfs/dbraw/zinc/81/35/39/682813539.db2.gz	NFCLKDIQUSGQES-LBPRGKRZSA-N	1	0	366.259	1.849	20	30		FDEDRO
C[NH+]1CCC(O)(CNS(=O)(=O)c2ccc(CC#N)cc2Cl)CC1	ZINC000451236868	682848733	/nfs/dbraw/zinc/84/87/33/682848733.db2.gz	PXYJNRYVASWSLA-UHFFFAOYSA-N	1	0	357.863	1.141	20	30		FDEDRO
Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1CC[C@@H](CC#N)C1	ZINC000451733731	682927151	/nfs/dbraw/zinc/92/71/51/682927151.db2.gz	JARDIZZELVLUPZ-GJZGRUSLSA-N	1	0	353.492	1.422	20	30		FDEDRO
C=CCCCS(=O)(=O)N1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1	ZINC000451832982	682948491	/nfs/dbraw/zinc/94/84/91/682948491.db2.gz	LWONWSPLBAVRBE-SFHVURJKSA-N	1	0	371.547	1.549	20	30		FDEDRO
C[N@H+](CCCSCC#N)CCOc1ccc(S(N)(=O)=O)cc1F	ZINC000451986115	682990311	/nfs/dbraw/zinc/99/03/11/682990311.db2.gz	KVOWPWRAKXNQRY-UHFFFAOYSA-N	1	0	361.464	1.431	20	30		FDEDRO
CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2ccc(C#N)cc2C)CC1	ZINC000452052374	683011549	/nfs/dbraw/zinc/01/15/49/683011549.db2.gz	VPRAFEOZJKGWDP-UHFFFAOYSA-N	1	0	364.515	1.561	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)ccc1C#N	ZINC000453571792	683165420	/nfs/dbraw/zinc/16/54/20/683165420.db2.gz	FRJKRYLDVVNMHY-ZDUSSCGKSA-N	1	0	357.439	1.681	20	30		FDEDRO
CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2cnc(C#N)c(Cl)c2)C1	ZINC000453650433	683176337	/nfs/dbraw/zinc/17/63/37/683176337.db2.gz	AXSCDLNIHJFNJV-GFCCVEGCSA-N	1	0	363.849	1.735	20	30		FDEDRO
C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)C1	ZINC000453682185	683184821	/nfs/dbraw/zinc/18/48/21/683184821.db2.gz	AILSOIRSVGOKBG-QGZVFWFLSA-N	1	0	364.471	1.039	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(F)c(S(C)(=O)=O)c1	ZINC000455813685	683504721	/nfs/dbraw/zinc/50/47/21/683504721.db2.gz	CUTMENZIKLKVAR-UHFFFAOYSA-N	1	0	370.450	1.928	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC(C)(C)C[NH+]2CCCC2)cc1	ZINC000457042948	683710937	/nfs/dbraw/zinc/71/09/37/683710937.db2.gz	WKOBPYYXVIJLJZ-UHFFFAOYSA-N	1	0	365.499	1.755	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1	ZINC000459821991	684462928	/nfs/dbraw/zinc/46/29/28/684462928.db2.gz	MNWSIMHIUWRXDO-UHFFFAOYSA-N	1	0	351.491	1.372	20	30		FDEDRO
COCCNS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1	ZINC000463287628	684682346	/nfs/dbraw/zinc/68/23/46/684682346.db2.gz	JRQJEFXBACTYOC-HZPDHXFCSA-N	1	0	351.472	1.783	20	30		FDEDRO
C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C)c1nnnn1C	ZINC000468470420	684906879	/nfs/dbraw/zinc/90/68/79/684906879.db2.gz	PJNHYXKQYPJGIW-CYBMUJFWSA-N	1	0	362.507	1.869	20	30		FDEDRO
CC[C@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)c1cccc(S(N)(=O)=O)c1	ZINC000469781731	684986227	/nfs/dbraw/zinc/98/62/27/684986227.db2.gz	WKNGGEIHQLSXRL-WFASDCNBSA-N	1	0	364.471	1.326	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1	ZINC000481032077	686283638	/nfs/dbraw/zinc/28/36/38/686283638.db2.gz	CZCVPLHIYMDYFM-HOTGVXAUSA-N	1	0	353.507	1.520	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1	ZINC000483091706	686467956	/nfs/dbraw/zinc/46/79/56/686467956.db2.gz	VSRLMOHLLYZQCF-DOTOQJQBSA-N	1	0	361.511	1.974	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1	ZINC000483502410	686513127	/nfs/dbraw/zinc/51/31/27/686513127.db2.gz	LDYJZTJULADGBN-IPYPFGDCSA-N	1	0	364.471	1.977	20	30		FDEDRO
CC[NH+](CC)CCS(=O)(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000490036741	687127834	/nfs/dbraw/zinc/12/78/34/687127834.db2.gz	DYNZRDZFTQZWAD-OAHLLOKOSA-N	1	0	352.460	1.078	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)NCC(=O)N1CCCCC1)C(C)C	ZINC000502003249	688234665	/nfs/dbraw/zinc/23/46/65/688234665.db2.gz	UPMIDMJUQJHOHP-QGZVFWFLSA-N	1	0	350.507	1.997	20	30		FDEDRO
CC(C)(O)C(C)(C)[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000505601600	688513459	/nfs/dbraw/zinc/51/34/59/688513459.db2.gz	GNRXIQWVEZEAMT-CQSZACIVSA-N	1	0	364.515	1.596	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C	ZINC000511173356	689481031	/nfs/dbraw/zinc/48/10/31/689481031.db2.gz	VHJBARVNIKZNDN-KRWDZBQOSA-N	1	0	364.515	1.967	20	30		FDEDRO
C[C@H](C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)n1cnc(C#N)n1	ZINC000515305337	689839262	/nfs/dbraw/zinc/83/92/62/689839262.db2.gz	UGXPHFSNESFHFF-OCCSQVGLSA-N	1	0	360.849	1.826	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1	ZINC000515339502	689843299	/nfs/dbraw/zinc/84/32/99/689843299.db2.gz	JONPGUSGRIDLPN-MSOLQXFVSA-N	1	0	363.483	1.606	20	30		FDEDRO
CCN(CC[NH+]1CCCCCC1)CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000515703817	689887555	/nfs/dbraw/zinc/88/75/55/689887555.db2.gz	BGZGVQIRXJBBNF-UHFFFAOYSA-N	1	0	364.515	1.925	20	30		FDEDRO
CCOC(=O)C[C@@](C)([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C(C)C	ZINC000516210119	689930936	/nfs/dbraw/zinc/93/09/36/689930936.db2.gz	AMLCKQINJSRRNO-QGZVFWFLSA-N	1	0	367.471	1.684	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)ccc1Br	ZINC000517092956	690033987	/nfs/dbraw/zinc/03/39/87/690033987.db2.gz	LAGQXAJAJOIHSR-SNVBAGLBSA-N	1	0	365.231	1.457	20	30		FDEDRO
N#Cc1ncn(CC[NH2+]CCC(=O)Nc2ccc(Br)cc2)n1	ZINC000517733825	690090852	/nfs/dbraw/zinc/09/08/52/690090852.db2.gz	BJMGLDCRIIYGHT-UHFFFAOYSA-N	1	0	363.219	1.531	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H](CO)Cc2ccc(F)cc2)c1	ZINC000519155505	690188037	/nfs/dbraw/zinc/18/80/37/690188037.db2.gz	GFLUAFUDSSPNSU-QGZVFWFLSA-N	1	0	362.426	1.664	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCC[N@H+]2CC)c1	ZINC000521926016	694450442	/nfs/dbraw/zinc/45/04/42/694450442.db2.gz	RQGALQHNUFVULD-INIZCTEOSA-N	1	0	365.499	1.755	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)s1	ZINC000528057579	694698526	/nfs/dbraw/zinc/69/85/26/694698526.db2.gz	HITFCTBFNSPFEC-CYBMUJFWSA-N	1	0	355.485	1.399	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)CN1CCC[C@]2(CCS(=O)(=O)C2)C1	ZINC000528517327	694725918	/nfs/dbraw/zinc/72/59/18/694725918.db2.gz	HERMHIHQNJBXBN-AEFFLSMTSA-N	1	0	364.467	1.199	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)c1	ZINC000639026697	695421657	/nfs/dbraw/zinc/42/16/57/695421657.db2.gz	GSAMMFRTSKRONI-DOTOQJQBSA-N	1	0	363.483	1.365	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCN(S(C)(=O)=O)CC1	ZINC000639784508	695498953	/nfs/dbraw/zinc/49/89/53/695498953.db2.gz	NLLGLZDGCUCFGD-GDBMZVCRSA-N	1	0	357.520	1.251	20	30		FDEDRO
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(Cl)ncc1C#N	ZINC001164617244	719014701	/nfs/dbraw/zinc/01/47/01/719014701.db2.gz	NMJSRPOVLMIJKS-XDTLVQLUSA-N	1	0	370.787	1.881	20	30		FDEDRO
C[N@@H+]1CCO[C@@H]2CN(c3ccc([C@H](C#N)c4ccccc4F)nn3)C[C@H]21	ZINC001164673121	719407458	/nfs/dbraw/zinc/40/74/58/719407458.db2.gz	SKZPIWJITFJIAJ-ZTFGCOKTSA-N	1	0	353.401	1.790	20	30		FDEDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cnc(C#N)c(C#N)n1)C2	ZINC001164812411	720176718	/nfs/dbraw/zinc/17/67/18/720176718.db2.gz	ALVARBWWPWBHDD-HNAYVOBHSA-N	1	0	352.442	1.405	20	30		FDEDRO
N#Cc1cc(Cl)cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1	ZINC001164743191	720675583	/nfs/dbraw/zinc/67/55/83/720675583.db2.gz	WWXXSDWOBVXKTA-GJZGRUSLSA-N	1	0	356.817	1.739	20	30		FDEDRO
N#Cc1cnc2cc[nH]c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c1-2	ZINC001164739885	720745482	/nfs/dbraw/zinc/74/54/82/720745482.db2.gz	JFPKXCBESNNFDI-LSDHHAIUSA-N	1	0	361.409	1.566	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3ncc(Cl)cc3C#N)CC[C@H]2C1	ZINC001164856868	720868366	/nfs/dbraw/zinc/86/83/66/720868366.db2.gz	PRQDWEVNGWKOCZ-XJKSGUPXSA-N	1	0	350.850	1.780	20	30		FDEDRO
N#Cc1nc(Cl)cnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164871368	721061723	/nfs/dbraw/zinc/06/17/23/721061723.db2.gz	YJUKXKRILTWYHM-HUUCEWRRSA-N	1	0	370.844	1.876	20	30		FDEDRO
N#Cc1c(Cl)ncnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164866529	721063225	/nfs/dbraw/zinc/06/32/25/721063225.db2.gz	FASRNYBVPXYIMF-LSDHHAIUSA-N	1	0	370.844	1.876	20	30		FDEDRO
COc1nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ncc1C#N	ZINC001164869473	721064319	/nfs/dbraw/zinc/06/43/19/721064319.db2.gz	SUMLABSTHUOWMW-SJORKVTESA-N	1	0	366.425	1.232	20	30		FDEDRO
COc1ccnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1C#N	ZINC001164869106	721075527	/nfs/dbraw/zinc/07/55/27/721075527.db2.gz	RPRMSKQVDJRYCP-IAGOWNOFSA-N	1	0	365.437	1.837	20	30		FDEDRO
CSc1nc(Cl)c(C#N)c(N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)n1	ZINC001164922800	721847525	/nfs/dbraw/zinc/84/75/25/721847525.db2.gz	RDKVSDKGQURIBP-STQMWFEESA-N	1	0	366.922	1.938	20	30		FDEDRO
COc1cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)ncc1C#N	ZINC001165002471	722250498	/nfs/dbraw/zinc/25/04/98/722250498.db2.gz	YVSMQHOQTLEHEY-UHFFFAOYSA-N	1	0	370.457	1.647	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1	ZINC000684787563	782265471	/nfs/dbraw/zinc/26/54/71/782265471.db2.gz	BZHBSBSGZUTVSP-IEBWSBKVSA-N	1	0	373.501	1.614	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)[C@H](C[NH2+]Cc2ccc(C#N)s2)C1	ZINC001087206265	782431284	/nfs/dbraw/zinc/43/12/84/782431284.db2.gz	HQYQECLXNAHPOA-TYNCELHUSA-N	1	0	361.471	1.018	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccon2)C[C@H]1c1ccccc1	ZINC001211543436	782651916	/nfs/dbraw/zinc/65/19/16/782651916.db2.gz	GDSYLSYROCRZSN-DOTOQJQBSA-N	1	0	354.410	1.175	20	30		FDEDRO
COC(=O)Cn1cc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)nn1	ZINC000478271191	782649252	/nfs/dbraw/zinc/64/92/52/782649252.db2.gz	ANXFOKKERRJRHO-UHFFFAOYSA-N	1	0	365.397	1.013	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)CCc1cn(C)nn1	ZINC001211487128	768832466	/nfs/dbraw/zinc/83/24/66/768832466.db2.gz	KTXQIOTUYSBAGZ-RDTXWAMCSA-N	1	0	352.442	1.256	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)cc1F	ZINC001020422836	769406343	/nfs/dbraw/zinc/40/63/43/769406343.db2.gz	FPENRBPNMMVBBB-BRFLTPSNSA-N	1	0	373.428	1.486	20	30		FDEDRO
C#CCN(CC#CC)C(=O)C(=O)Nc1ccc([C@H](C)N2CCOCC2)cc1	ZINC000784930431	769826622	/nfs/dbraw/zinc/82/66/22/769826622.db2.gz	XCZHUTXBCYRMFN-KRWDZBQOSA-N	1	0	367.449	1.503	20	30		FDEDRO
COc1ccccc1CCNC(=O)CO[NH+]=C(N)c1ccc(N(C)C)cc1	ZINC000120369891	770129628	/nfs/dbraw/zinc/12/96/28/770129628.db2.gz	FMHLBDSMJUZKCI-UHFFFAOYSA-N	1	0	370.453	1.757	20	30		FDEDRO
CCCC(=O)NCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC#CCOC)C1	ZINC001211545908	782865849	/nfs/dbraw/zinc/86/58/49/782865849.db2.gz	MQHNRRCELOFHDU-RBUKOAKNSA-N	1	0	371.481	1.137	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C	ZINC000274813648	770782402	/nfs/dbraw/zinc/78/24/02/770782402.db2.gz	COCWTMUNJMJWKX-QGZVFWFLSA-N	1	0	372.469	1.763	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)OC)C[C@H]1c1ccccc1	ZINC001211545999	782872140	/nfs/dbraw/zinc/87/21/40/782872140.db2.gz	RGMFNFVIHRRAPR-RCCFBDPRSA-N	1	0	359.470	1.298	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1C	ZINC001020592251	770914832	/nfs/dbraw/zinc/91/48/32/770914832.db2.gz	YSVBATJNYRFKPT-ATIWLJMLSA-N	1	0	365.518	1.804	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc3ccccc3n2C)C1	ZINC001020604758	770981855	/nfs/dbraw/zinc/98/18/55/770981855.db2.gz	MYCWWFDBOPWDII-ADAWSYLGSA-N	1	0	354.454	1.901	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc3ccccc3c(=O)[nH]2)C1	ZINC001020604819	770982951	/nfs/dbraw/zinc/98/29/51/770982951.db2.gz	PUSVDNGTSZIRIA-SMKXDYDZSA-N	1	0	368.437	1.663	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)N(C)C)cc2)C1	ZINC001020605523	770988609	/nfs/dbraw/zinc/98/86/09/770988609.db2.gz	LZBRZOFUHBDKGC-MKXGPGLRSA-N	1	0	371.481	1.716	20	30		FDEDRO
Cn1cc([C@@H]2C[C@H]2C(=O)N2CC[C@@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)cn1	ZINC000970040422	771242854	/nfs/dbraw/zinc/24/28/54/771242854.db2.gz	QIWJQXXTCGVQRH-FGTMMUONSA-N	1	0	367.428	1.925	20	30		FDEDRO
CC1=C(C)C[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)CC1	ZINC001104230444	771275466	/nfs/dbraw/zinc/27/54/66/771275466.db2.gz	XNMGBGWNWBRZGQ-FGTMMUONSA-N	1	0	360.502	1.837	20	30		FDEDRO
N#Cc1c2c(cnc1N1CCN(Cc3ccccc3)C(=O)C1)C[NH2+]CCC2	ZINC001167104162	771283824	/nfs/dbraw/zinc/28/38/24/771283824.db2.gz	QEFYTJBXHWKPLY-UHFFFAOYSA-N	1	0	361.449	1.838	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cn(C(C)C)nn2)C1	ZINC001020716876	771289912	/nfs/dbraw/zinc/28/99/12/771289912.db2.gz	XOQYEGVQMQJCHT-LAQRGFTBSA-N	1	0	361.490	1.967	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC[C@H]2CCS(=O)(=O)C2)C1	ZINC001020726372	771303883	/nfs/dbraw/zinc/30/38/83/771303883.db2.gz	HVGKMUMNLFJHAY-WOYTXXSLSA-N	1	0	370.515	1.029	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cn(C(C)(C)C)nn2)C1	ZINC001020726441	771303965	/nfs/dbraw/zinc/30/39/65/771303965.db2.gz	LGPKBGUGGFJMJP-OTRWWLKZSA-N	1	0	361.490	1.751	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)nc1	ZINC000535632886	771347205	/nfs/dbraw/zinc/34/72/05/771347205.db2.gz	SYTCHGZZIWKQRV-ZWKOTPCHSA-N	1	0	350.422	1.566	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNS(C)(=O)=O)C1	ZINC001104231882	771431989	/nfs/dbraw/zinc/43/19/89/771431989.db2.gz	WTKDSVMWNKMIFS-NVXWUHKLSA-N	1	0	371.547	1.378	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CC2(CCNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)cc1	ZINC001167254268	771809293	/nfs/dbraw/zinc/80/92/93/771809293.db2.gz	BGSOUFRZROHKQA-MSOLQXFVSA-N	1	0	368.481	1.836	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1	ZINC000430408124	771828633	/nfs/dbraw/zinc/82/86/33/771828633.db2.gz	YIZZLZDCWVGRNY-SQNIBIBYSA-N	1	0	363.502	1.561	20	30		FDEDRO
O=C(N[C@@H]1CCCN(c2ncccn2)C1)N1CCC[C@H]([NH+]2CCCC2)C1	ZINC000328665239	771945938	/nfs/dbraw/zinc/94/59/38/771945938.db2.gz	YZXCCTFIPKDUDT-SJORKVTESA-N	1	0	358.490	1.920	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1=O	ZINC001167285103	771982152	/nfs/dbraw/zinc/98/21/52/771982152.db2.gz	HYHRFRIUGGBYAV-NCOADZHNSA-N	1	0	361.486	1.217	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1	ZINC000972246930	783014003	/nfs/dbraw/zinc/01/40/03/783014003.db2.gz	VLDGSSXPNQQOLB-SJLPKXTDSA-N	1	0	356.470	1.443	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)NS(=O)(=O)CC)C1	ZINC001111755326	772553523	/nfs/dbraw/zinc/55/35/23/772553523.db2.gz	SATHJOIAVBYJQG-VYDXJSESSA-N	1	0	357.520	1.251	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)[C@H](C[NH2+]Cc2ccc(C#N)s2)C1	ZINC001087214523	783024721	/nfs/dbraw/zinc/02/47/21/783024721.db2.gz	ZJMWOJZZPUATRG-KOZAUXTDSA-N	1	0	360.483	1.458	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1C	ZINC001104273325	772710432	/nfs/dbraw/zinc/71/04/32/772710432.db2.gz	RVGRZSDTNSIVDQ-BZUAXINKSA-N	1	0	369.481	1.270	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2[nH]ccc2C2CC2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104278120	772737492	/nfs/dbraw/zinc/73/74/92/772737492.db2.gz	GHPXXSZAEVHQPB-UKRRQHHQSA-N	1	0	357.458	1.220	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)COc3cccc(OC)c3)[C@H]2C1	ZINC001083201388	772740367	/nfs/dbraw/zinc/74/03/67/772740367.db2.gz	HWOGFDUNZNNHRO-RBUKOAKNSA-N	1	0	360.454	1.952	20	30		FDEDRO
CC[C@@H](CC(F)F)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104279695	772755501	/nfs/dbraw/zinc/75/55/01/772755501.db2.gz	LTPDBWUPOWHRTH-HZSPNIEDSA-N	1	0	358.433	1.382	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C)C(C)(C)C2)cc1	ZINC000891008694	772817570	/nfs/dbraw/zinc/81/75/70/772817570.db2.gz	YGLUADBACZAGRH-UHFFFAOYSA-N	1	0	358.442	1.094	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H](C)C4CC4)[C@@H]3C2)CC1	ZINC001021318003	772875636	/nfs/dbraw/zinc/87/56/36/772875636.db2.gz	KMZXOPMKFUJNHB-ZYSHUDEJSA-N	1	0	357.498	1.437	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(-n3cnnn3)cn1)C2	ZINC001112489195	773358786	/nfs/dbraw/zinc/35/87/86/773358786.db2.gz	PLJACIMDRDJSOE-KXBFYZLASA-N	1	0	367.457	1.465	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c4ccccc4[nH]c3=O)[C@H]2C1	ZINC001083206375	773555588	/nfs/dbraw/zinc/55/55/88/773555588.db2.gz	WODOZAVDHNBDEK-ZWKOTPCHSA-N	1	0	370.453	1.620	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](CCC)S(N)(=O)=O)C2	ZINC001112492554	773698745	/nfs/dbraw/zinc/69/87/45/773698745.db2.gz	BNRLHXRJMMPGTM-ZOBUZTSGSA-N	1	0	357.520	1.238	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)N(C)C)C[C@H]1C	ZINC001104290837	773822633	/nfs/dbraw/zinc/82/26/33/773822633.db2.gz	GBFPUPZSHXQBFD-GUDVDZBRSA-N	1	0	361.534	1.854	20	30		FDEDRO
CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N[C@@H](C)CC#N)c1	ZINC000275801869	773831276	/nfs/dbraw/zinc/83/12/76/773831276.db2.gz	DDSGVKNAOPTTBP-AWEZNQCLSA-N	1	0	373.457	1.115	20	30		FDEDRO
C=CCNC(=S)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000748158247	773999720	/nfs/dbraw/zinc/99/97/20/773999720.db2.gz	FHSRWNYDDYOZEW-QGZVFWFLSA-N	1	0	359.543	1.976	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cccc(CC)n2)C[C@H]1C	ZINC001104297238	774037682	/nfs/dbraw/zinc/03/76/82/774037682.db2.gz	HGUORDBSLUEQHF-BRWVUGGUSA-N	1	0	370.497	1.470	20	30		FDEDRO
CN(C)c1ccc([C@H](CNC(=O)Cc2ccc(C#N)nc2)[NH+](C)C)cc1	ZINC000891248218	774101733	/nfs/dbraw/zinc/10/17/33/774101733.db2.gz	WXVRKMMWZUBYNO-IBGZPJMESA-N	1	0	351.454	1.981	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ncc(C)cc2OC)C[C@H]1C	ZINC001104299653	774111117	/nfs/dbraw/zinc/11/11/17/774111117.db2.gz	ORWOIZIXMGTDKF-IAGOWNOFSA-N	1	0	359.470	1.736	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CNC(=O)c3ccccc32)C[C@H]1C	ZINC001104299870	774121717	/nfs/dbraw/zinc/12/17/17/774121717.db2.gz	VBDLSMCJTSCKBE-MDZRGWNJSA-N	1	0	353.466	1.611	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(C)C)C1	ZINC001112496119	774327725	/nfs/dbraw/zinc/32/77/25/774327725.db2.gz	ILIGGAYBHPTBLK-DBVUQKKJSA-N	1	0	365.518	1.522	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cnns2)C1=O	ZINC001087128098	774347774	/nfs/dbraw/zinc/34/77/74/774347774.db2.gz	ZWYMVGCKSGQSHH-HZSPNIEDSA-N	1	0	363.487	1.155	20	30		FDEDRO
C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(OC)c(OCC[NH+](CC)CC)c1	ZINC000275921307	774533705	/nfs/dbraw/zinc/53/37/05/774533705.db2.gz	HIRWLEZBXAABCV-CQSZACIVSA-N	1	0	361.442	1.492	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1	ZINC001104320782	774927896	/nfs/dbraw/zinc/92/78/96/774927896.db2.gz	FEGWDRZJQJBJMB-ATZDWAIDSA-N	1	0	368.481	1.659	20	30		FDEDRO
C=CCn1cc(C(=O)NC2CCN(c3ccc(N(C)C)cc3)CC2)nn1	ZINC000843558191	774975246	/nfs/dbraw/zinc/97/52/46/774975246.db2.gz	XNRVHAYYQWKKHP-UHFFFAOYSA-N	1	0	354.458	1.929	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2cncs2)C[C@H]1C	ZINC001104324145	774982574	/nfs/dbraw/zinc/98/25/74/774982574.db2.gz	QXNMBHDKXLVONT-ZIAGYGMSSA-N	1	0	350.488	1.062	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)COCc2nccn2C)C[C@H]1C	ZINC001104331252	775402277	/nfs/dbraw/zinc/40/22/77/775402277.db2.gz	XFVFRJNDCHZWBK-UKRRQHHQSA-N	1	0	354.882	1.763	20	30		FDEDRO
C[NH+](C)CCOCCNC(=O)N1CCN(c2cccc(F)c2C#N)CC1	ZINC000471639190	775509272	/nfs/dbraw/zinc/50/92/72/775509272.db2.gz	XDPOYOREUSEVLM-UHFFFAOYSA-N	1	0	363.437	1.107	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4CC=CCC4)[C@@H]3C2)CC1	ZINC000971282800	775682361	/nfs/dbraw/zinc/68/23/61/775682361.db2.gz	YFVWHOLNLBJUCZ-MISYRCLQSA-N	1	0	369.509	1.747	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1	ZINC000276162271	776189139	/nfs/dbraw/zinc/18/91/39/776189139.db2.gz	WBDSJXPCOWKHIP-HIFRSBDPSA-N	1	0	361.417	1.717	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CCO[C@@H]3C[N@@H+]([C@@H](C)COC)C[C@@H]32)cc1	ZINC001083217370	776476005	/nfs/dbraw/zinc/47/60/05/776476005.db2.gz	VRCIFBIZLNTJDG-ZYSHUDEJSA-N	1	0	358.438	1.259	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)c4cccnc4)C[C@H]32)CC1	ZINC001021883362	776482930	/nfs/dbraw/zinc/48/29/30/776482930.db2.gz	FKCJIMBBJINHRK-RBUKOAKNSA-N	1	0	366.465	1.100	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)/C=C(/C)C4CC4)C[C@H]32)CC1	ZINC001021884346	776499803	/nfs/dbraw/zinc/49/98/03/776499803.db2.gz	XAIFFUCQKXGVAV-CRTYXLEASA-N	1	0	369.509	1.747	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cnn(C)c2N)[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001087153905	776670887	/nfs/dbraw/zinc/67/08/87/776670887.db2.gz	SUCRGFZSBRPSOB-PBHICJAKSA-N	1	0	366.469	1.904	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CCC1	ZINC000933300909	777040931	/nfs/dbraw/zinc/04/09/31/777040931.db2.gz	MUHJKHBNWDCQCA-UHFFFAOYSA-N	1	0	369.465	1.311	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21	ZINC001022010186	777070047	/nfs/dbraw/zinc/07/00/47/777070047.db2.gz	KHSGXGFETMNTPH-QILLFSRXSA-N	1	0	369.469	1.434	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C[C@H]1C	ZINC001104735755	790522276	/nfs/dbraw/zinc/52/22/76/790522276.db2.gz	YSIQIVDAAXYNLX-GDBMZVCRSA-N	1	0	370.453	1.606	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)nc1	ZINC001022035413	777313443	/nfs/dbraw/zinc/31/34/43/777313443.db2.gz	LUNZUYFIPXSCTK-PKOBYXMFSA-N	1	0	366.465	1.078	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1	ZINC001022039284	777376975	/nfs/dbraw/zinc/37/69/75/777376975.db2.gz	OIDZLRRKLQWBPL-PKOBYXMFSA-N	1	0	370.497	1.689	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C(N)=O)cc2)C1	ZINC000971555312	777593677	/nfs/dbraw/zinc/59/36/77/777593677.db2.gz	CCPMQLYMKBBACS-OTWHNJEPSA-N	1	0	371.481	1.799	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(C(N)=O)c2)C1	ZINC000971555916	777607714	/nfs/dbraw/zinc/60/77/14/777607714.db2.gz	MMCZHFSJQYNACH-QRVBRYPASA-N	1	0	371.481	1.799	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCN(C(=O)C2CC[NH+](C)CC2)CC1	ZINC000947279022	778158560	/nfs/dbraw/zinc/15/85/60/778158560.db2.gz	MUKWNOGULAFAPG-ROUUACIJSA-N	1	0	363.502	1.417	20	30		FDEDRO
CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCCN2CC(=O)NCCC#N	ZINC000933505200	778280829	/nfs/dbraw/zinc/28/08/29/778280829.db2.gz	YACUCROCXVEHAG-KBXCAEBGSA-N	1	0	350.463	1.786	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cnccn2)C[C@H]1c1ccccc1	ZINC001211519464	778399499	/nfs/dbraw/zinc/39/94/99/778399499.db2.gz	UMOOIIJOOVGRNB-PKOBYXMFSA-N	1	0	352.438	1.877	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccn3nnnc3c1)C2	ZINC001112507126	778728821	/nfs/dbraw/zinc/72/88/21/778728821.db2.gz	XSVYRKSTECLPBT-YOEHRIQHSA-N	1	0	360.849	1.709	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1	ZINC000971707494	778768514	/nfs/dbraw/zinc/76/85/14/778768514.db2.gz	IMXJWLHHOFXCSZ-JFIYKMOQSA-N	1	0	369.469	1.434	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1	ZINC001022229656	778781191	/nfs/dbraw/zinc/78/11/91/778781191.db2.gz	IZTJSFYNGMXXHG-HLPPOEQASA-N	1	0	352.866	1.970	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1	ZINC000782998940	790665012	/nfs/dbraw/zinc/66/50/12/790665012.db2.gz	HWCKSHZSNOBAHI-GASCZTMLSA-N	1	0	359.536	1.643	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1CC[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001104379752	779154708	/nfs/dbraw/zinc/15/47/08/779154708.db2.gz	KIUDBWMNGCCOQW-IUODEOHRSA-N	1	0	356.405	1.703	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4CCCC[N@H+]4C)C[C@H]32)nc1	ZINC001022293064	779179798	/nfs/dbraw/zinc/17/97/98/779179798.db2.gz	LLLVERDOSKRJKS-YTQUADARSA-N	1	0	366.465	1.220	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)CC1	ZINC000328876342	779188408	/nfs/dbraw/zinc/18/84/08/779188408.db2.gz	SLKIFKAIGVOJMB-UHFFFAOYSA-N	1	0	362.449	1.982	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4cccn4)c3)[C@H]2C1	ZINC001083224675	779205992	/nfs/dbraw/zinc/20/59/92/779205992.db2.gz	LQTICIXFOOQLHN-RBUKOAKNSA-N	1	0	352.438	1.974	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCCO4)[C@@H]3C2)cc1	ZINC001075525807	790695903	/nfs/dbraw/zinc/69/59/03/790695903.db2.gz	SANWOBJQUWJCCT-QXAKKESOSA-N	1	0	355.438	1.801	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C[C@H]2CCNC2=O)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087174280	779416076	/nfs/dbraw/zinc/41/60/76/779416076.db2.gz	LTVMILHEGVVTBG-LZQZEXGQSA-N	1	0	368.481	1.801	20	30		FDEDRO
C[NH2+]C[C@H]1CCCCN1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000891851143	779739734	/nfs/dbraw/zinc/73/97/34/779739734.db2.gz	DGKJPKDARNKQSL-MSOLQXFVSA-N	1	0	369.469	1.443	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1	ZINC000426155452	779804913	/nfs/dbraw/zinc/80/49/13/779804913.db2.gz	XQKHSHBWMJYYKU-QWHCGFSZSA-N	1	0	374.407	1.718	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1	ZINC000276872832	779978905	/nfs/dbraw/zinc/97/89/05/779978905.db2.gz	CUUNJYQEWUMBMF-MAUKXSAKSA-N	1	0	364.396	1.588	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(n3cnnn3)CCCCC1)C2	ZINC001112508082	780052713	/nfs/dbraw/zinc/05/27/13/780052713.db2.gz	MXKNVUWUZGSIPS-HKUYNNGSSA-N	1	0	370.501	1.574	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1c1ccccc1	ZINC001211526730	780068625	/nfs/dbraw/zinc/06/86/25/780068625.db2.gz	SUODZIAZQBUWBN-VDZJLULYSA-N	1	0	364.449	1.350	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000376822365	790762381	/nfs/dbraw/zinc/76/23/81/790762381.db2.gz	JAGDUJHVUPDZGE-IBGZPJMESA-N	1	0	364.449	1.515	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)c4cc(C)co4)[C@@H]3C2)CC1	ZINC001022443866	780228290	/nfs/dbraw/zinc/22/82/90/780228290.db2.gz	NMEURHWBTUSURT-ZWKOTPCHSA-N	1	0	369.465	1.606	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC(n2cc(C(C)=O)nn2)C1)C(C)C	ZINC000891940826	780306976	/nfs/dbraw/zinc/30/69/76/780306976.db2.gz	VFXNVNHVTCYSDG-GOSISDBHSA-N	1	0	374.489	1.746	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)C1	ZINC001022453422	780326994	/nfs/dbraw/zinc/32/69/94/780326994.db2.gz	ALNRDLGEPIVUGR-GBESFXJTSA-N	1	0	357.498	1.581	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccsc1)C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000458234675	780603801	/nfs/dbraw/zinc/60/38/01/780603801.db2.gz	YUNKREBKEGAKRY-UHFFFAOYSA-N	1	0	370.478	1.940	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cccc(C(C)C)n2)C[C@H]1C	ZINC001104390067	780645668	/nfs/dbraw/zinc/64/56/68/780645668.db2.gz	FNNARLZJERAZIG-IAGOWNOFSA-N	1	0	370.497	1.642	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)CC1	ZINC000277015218	780665687	/nfs/dbraw/zinc/66/56/87/780665687.db2.gz	AMHRHVCFTLXIQE-CABCVRRESA-N	1	0	358.442	1.859	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C)CC(N)=O)C[C@H]1c1ccccc1	ZINC001211649237	790823066	/nfs/dbraw/zinc/82/30/66/790823066.db2.gz	XTTXCMARXHNUQG-BPQIPLTHSA-N	1	0	359.470	1.285	20	30		FDEDRO
CC[C@@H](F)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(CC)CCC#N)C1	ZINC001112510066	781060880	/nfs/dbraw/zinc/06/08/80/781060880.db2.gz	WDHNSZWIJXQAGS-FCEWJHQRSA-N	1	0	366.481	1.715	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)C[C@H]21	ZINC001022565411	781156501	/nfs/dbraw/zinc/15/65/01/781156501.db2.gz	WCHPMXJEMJPQSV-JKIFEVAISA-N	1	0	364.409	1.100	20	30		FDEDRO
C#CCC(CC#C)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1	ZINC000277297249	781379510	/nfs/dbraw/zinc/37/95/10/781379510.db2.gz	ARNOKUYOLPUKMF-SFHVURJKSA-N	1	0	351.450	1.985	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CCN(C(=O)NCCC2=CC[NH2+]CC2)CC1	ZINC000892100198	781531513	/nfs/dbraw/zinc/53/15/13/781531513.db2.gz	GAOFFQCHIGXGNL-UHFFFAOYSA-N	1	0	357.433	1.839	20	30		FDEDRO
CCN(CC)C(=[NH2+])NCc1cccc(NC(=O)CCN2CCOCC2)c1	ZINC000104166466	781542751	/nfs/dbraw/zinc/54/27/51/781542751.db2.gz	JIILRXRLGGBUFU-UHFFFAOYSA-N	1	0	361.490	1.504	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCC#CC)C2	ZINC001112513563	783422791	/nfs/dbraw/zinc/42/27/91/783422791.db2.gz	DJHVMLIDZMNVQT-WFXMLNOXSA-N	1	0	357.498	1.536	20	30		FDEDRO
C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)Nc1ccc(C#N)c(F)c1	ZINC000892287794	783467617	/nfs/dbraw/zinc/46/76/17/783467617.db2.gz	VVWHEQNECKWCDR-CYBMUJFWSA-N	1	0	367.384	1.768	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccnc(N(C)C)c2)C1	ZINC000972375035	783539309	/nfs/dbraw/zinc/53/93/09/783539309.db2.gz	YHOHUETYQYLKSR-KURKYZTESA-N	1	0	358.486	1.771	20	30		FDEDRO
CC(=O)N1CCC(CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1	ZINC000329102076	783541109	/nfs/dbraw/zinc/54/11/09/783541109.db2.gz	FKQALJUVGTVSSV-UHFFFAOYSA-N	1	0	366.506	1.203	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNc2ccc(C#N)cc2CO)c1	ZINC000892291456	783550599	/nfs/dbraw/zinc/55/05/99/783550599.db2.gz	CEIKLLYOOSAJBJ-UHFFFAOYSA-N	1	0	352.438	1.954	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1C#N	ZINC001024157711	784031726	/nfs/dbraw/zinc/03/17/26/784031726.db2.gz	GJESRIZVXHDEEE-OIISXLGYSA-N	1	0	370.453	1.016	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCC(F)F)C[C@H]21	ZINC001114949900	784137456	/nfs/dbraw/zinc/13/74/56/784137456.db2.gz	RQISYRYENYRIEV-CTTHAOKLSA-N	1	0	358.429	1.686	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ncnn2C(C)C)C1	ZINC001024164734	784156229	/nfs/dbraw/zinc/15/62/29/784156229.db2.gz	GTJAXEPBGYLJSF-BBWFWOEESA-N	1	0	361.490	1.778	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2cn(C)nn2)C1	ZINC001024191741	784289830	/nfs/dbraw/zinc/28/98/30/784289830.db2.gz	CRKZIMXZNSWKTJ-NJAFHUGGSA-N	1	0	361.490	1.515	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1c1ccccc1	ZINC001211631374	784784303	/nfs/dbraw/zinc/78/43/03/784784303.db2.gz	DNEMFHKRCYHALX-OKZBNKHCSA-N	1	0	362.495	1.581	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CCC)C2)cc1	ZINC000658778173	785161916	/nfs/dbraw/zinc/16/19/16/785161916.db2.gz	LBSUFHAQEDXVJL-INIZCTEOSA-N	1	0	358.442	1.141	20	30		FDEDRO
CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000365074229	785283439	/nfs/dbraw/zinc/28/34/39/785283439.db2.gz	VFTQYEUTELZBFW-MOPGFXCFSA-N	1	0	368.481	1.849	20	30		FDEDRO
C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	ZINC001024572127	785303757	/nfs/dbraw/zinc/30/37/57/785303757.db2.gz	OJEPCMNYNPHHJJ-OTWHNJEPSA-N	1	0	365.518	1.413	20	30		FDEDRO
COc1ccc(C#N)cc1CN1CCCC[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O	ZINC001024656955	785637818	/nfs/dbraw/zinc/63/78/18/785637818.db2.gz	UMMPOEUDIGRARV-BBWFWOEESA-N	1	0	370.453	1.159	20	30		FDEDRO
Cc1ccc(C(=O)N2CCN(CC[N@@H+]3CCCOCC3)CC2)cc1C#N	ZINC000376051681	785683460	/nfs/dbraw/zinc/68/34/60/785683460.db2.gz	ZAEVHIRAPZLDDE-UHFFFAOYSA-N	1	0	356.470	1.347	20	30		FDEDRO
COC(=O)[C@H]1CN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC[N@H+](C)C1	ZINC000413906594	785751456	/nfs/dbraw/zinc/75/14/56/785751456.db2.gz	RXIMITHMCQQPCA-CQSZACIVSA-N	1	0	361.417	1.538	20	30		FDEDRO
C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC001024701433	785780447	/nfs/dbraw/zinc/78/04/47/785780447.db2.gz	CKQNTBJVZADJPS-ZIFCJYIRSA-N	1	0	354.454	1.205	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2ccccc2C(N)=O)C1	ZINC001111941322	785908857	/nfs/dbraw/zinc/90/88/57/785908857.db2.gz	OGGAUROPLNKYBZ-UWJYYQICSA-N	1	0	353.466	1.712	20	30		FDEDRO
N#Cc1ccncc1C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000413976176	785960819	/nfs/dbraw/zinc/96/08/19/785960819.db2.gz	JEUIJZGDJKRINB-UHFFFAOYSA-N	1	0	350.422	1.710	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C(N)=O)co1)C2	ZINC001112528215	805675424	/nfs/dbraw/zinc/67/54/24/805675424.db2.gz	RGVVHXLXCXFRLX-KXBFYZLASA-N	1	0	361.442	1.413	20	30		FDEDRO
C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)n2cccc2)C1	ZINC001111944854	786653117	/nfs/dbraw/zinc/65/31/17/786653117.db2.gz	WZHKULFTQJROAC-UWVAXJGDSA-N	1	0	358.486	1.712	20	30		FDEDRO
N#CC1(NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)C2CCCCC2)CCCC1	ZINC000332747630	787268283	/nfs/dbraw/zinc/26/82/83/787268283.db2.gz	OLNRQNJPIWYAPP-MRXNPFEDSA-N	1	0	357.458	1.970	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2csc(=O)[nH]2)C[C@H]1C	ZINC001104561702	787884449	/nfs/dbraw/zinc/88/44/49/787884449.db2.gz	MRPFRNBOYWBFSM-FRRDWIJNSA-N	1	0	366.487	1.227	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1	ZINC000376458111	787885088	/nfs/dbraw/zinc/88/50/88/787885088.db2.gz	NQMUAXZPXDBDTJ-PJIJBLCYSA-N	1	0	366.425	1.018	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1	ZINC000978853093	805831828	/nfs/dbraw/zinc/83/18/28/805831828.db2.gz	QCCNEIVQYVCHPQ-RZFLPCETSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCC[C@@H]1CNCc1csnn1	ZINC001025112173	787976184	/nfs/dbraw/zinc/97/61/84/787976184.db2.gz	VMVHMOYTQOMRMA-PMPSAXMXSA-N	1	0	350.488	1.990	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1	ZINC000978873084	805838916	/nfs/dbraw/zinc/83/89/16/805838916.db2.gz	YREMSGUONYMLID-LVEJAMMSSA-N	1	0	363.502	1.320	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](CCC)S(N)(=O)=O)C[C@H]1c1ccccc1	ZINC001211642422	788020866	/nfs/dbraw/zinc/02/08/66/788020866.db2.gz	CERDLPDUHKFMGP-GVDBMIGSSA-N	1	0	365.499	1.214	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1	ZINC000978865376	805849732	/nfs/dbraw/zinc/84/97/32/805849732.db2.gz	AOUBUVVZPGKUKC-SFFUCWETSA-N	1	0	363.502	1.320	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1	ZINC000978865375	805849844	/nfs/dbraw/zinc/84/98/44/805849844.db2.gz	AOUBUVVZPGKUKC-AVEIZBFRSA-N	1	0	363.502	1.320	20	30		FDEDRO
N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)NC2CC[NH+](C3CC3)CC2)c1	ZINC000376549741	788315446	/nfs/dbraw/zinc/31/54/46/788315446.db2.gz	ASVWDCQFFYWMMX-IBGZPJMESA-N	1	0	366.465	1.792	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1	ZINC000973267809	788460476	/nfs/dbraw/zinc/46/04/76/788460476.db2.gz	DAPKLKGXEAEQRV-ZKXLYKBJSA-N	1	0	363.502	1.604	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc(Cl)cn2)C1	ZINC001112001401	788697668	/nfs/dbraw/zinc/69/76/68/788697668.db2.gz	VTOGXULCFCVKHK-YJBOKZPZSA-N	1	0	364.877	1.547	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](NC(=O)C[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000973364163	788765920	/nfs/dbraw/zinc/76/59/20/788765920.db2.gz	YOQMTGLTUYWPLS-VJANTYMQSA-N	1	0	357.498	1.531	20	30		FDEDRO
C[C@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1)C(F)(F)F	ZINC001104620841	788929973	/nfs/dbraw/zinc/92/99/73/788929973.db2.gz	LGGVABSYVYXLBA-JHJVBQTASA-N	1	0	362.396	1.289	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC1	ZINC001104631235	789058002	/nfs/dbraw/zinc/05/80/02/789058002.db2.gz	FWDPCKKZHIJOAK-HUUCEWRRSA-N	1	0	361.490	1.429	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1CC[NH2+]Cc1ccccc1C#N	ZINC001104643527	789099823	/nfs/dbraw/zinc/09/98/23/789099823.db2.gz	UNAWUSXKIUMGSV-FPDPHYFHSA-N	1	0	368.481	1.801	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C[C@H]1c1ccccc1	ZINC001211646873	789275462	/nfs/dbraw/zinc/27/54/62/789275462.db2.gz	MSGHCWWMOMBIOC-KSZLIROESA-N	1	0	356.470	1.560	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cc(N3CCCC3)ncn2)C[C@H]1C	ZINC001104676461	789316037	/nfs/dbraw/zinc/31/60/37/789316037.db2.gz	KWKZWGNZKCUVJR-IAGOWNOFSA-N	1	0	355.486	1.788	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2c3n(c(=O)n2C)CCCC3)C[C@H]1C	ZINC001104681236	789343890	/nfs/dbraw/zinc/34/38/90/789343890.db2.gz	FICYGIRPMHXWIU-HZPDHXFCSA-N	1	0	358.486	1.234	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2C)C[C@H]1c1ccccc1	ZINC001211647273	789357818	/nfs/dbraw/zinc/35/78/18/789357818.db2.gz	XGWSQEVWTWSRPN-CEXWTWQISA-N	1	0	353.466	1.605	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1	ZINC000659673168	789429012	/nfs/dbraw/zinc/42/90/12/789429012.db2.gz	HTMPDEIZLRYUKN-BZSNNMDCSA-N	1	0	363.502	1.322	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1CC[NH2+]Cc1ccccc1C#N	ZINC001104698955	789499950	/nfs/dbraw/zinc/49/99/50/789499950.db2.gz	VWUFHKGVUQGABI-CRAIPNDOSA-N	1	0	366.469	1.883	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C=C)cc2)C[C@H]1C	ZINC001104711253	789649676	/nfs/dbraw/zinc/64/96/76/789649676.db2.gz	AAEHKFUMQWSTOV-VQIMIIECSA-N	1	0	353.466	1.767	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nc1	ZINC000979085053	806041746	/nfs/dbraw/zinc/04/17/46/806041746.db2.gz	IJTGICBQYYZSJM-MJQMVNBJSA-N	1	0	368.481	1.418	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000415070493	791331186	/nfs/dbraw/zinc/33/11/86/791331186.db2.gz	QNGQMDWUZMZOFN-AWEZNQCLSA-N	1	0	371.363	1.524	20	30		FDEDRO
CN(C)c1ccc([C@H](CNC(=O)NC2CCN(CC#N)CC2)[NH+](C)C)cc1	ZINC000892879473	791549017	/nfs/dbraw/zinc/54/90/17/791549017.db2.gz	LEXXILBARAITHT-IBGZPJMESA-N	1	0	372.517	1.642	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2CC23CCN(c2ncc(C#N)cc2F)CC3)CC[N@@H+]1C	ZINC001058655704	791699006	/nfs/dbraw/zinc/69/90/06/791699006.db2.gz	HSWNZXOCEIFVLY-FRFSOERESA-N	1	0	371.460	1.908	20	30		FDEDRO
CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCC(F)(F)C(F)F)C1	ZINC001112030315	791856377	/nfs/dbraw/zinc/85/63/77/791856377.db2.gz	LSEOAOAXJAKGGG-RKDXNWHRSA-N	1	0	354.266	1.902	20	30		FDEDRO
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCC[NH2+]CC2)c1C	ZINC000415313743	791903141	/nfs/dbraw/zinc/90/31/41/791903141.db2.gz	WLGHYVDRJOIGEZ-UHFFFAOYSA-N	1	0	366.425	1.121	20	30		FDEDRO
CC[NH2+]CCNC(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1	ZINC000415364718	792050628	/nfs/dbraw/zinc/05/06/28/792050628.db2.gz	HTBUFDSWAKXAMV-UHFFFAOYSA-N	1	0	354.414	1.025	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1=O	ZINC001025796464	792079641	/nfs/dbraw/zinc/07/96/41/792079641.db2.gz	AVCNVXAVVAPXSK-ZBDIRKKZSA-N	1	0	355.482	1.422	20	30		FDEDRO
C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1	ZINC000415372228	792119887	/nfs/dbraw/zinc/11/98/87/792119887.db2.gz	HDXCZBMYLDZXMP-LBPRGKRZSA-N	1	0	370.331	1.606	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)cc1C#N	ZINC000415407379	792210166	/nfs/dbraw/zinc/21/01/66/792210166.db2.gz	PNZODBYCBSREGJ-AWEZNQCLSA-N	1	0	358.442	1.790	20	30		FDEDRO
Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H]3C(=O)NC[C@H]3C2)ccc1Cl	ZINC000377652905	792418799	/nfs/dbraw/zinc/41/87/99/792418799.db2.gz	LNJCCVODTIGEAZ-GOEBONIOSA-N	1	0	374.872	1.963	20	30		FDEDRO
CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	ZINC000415518857	792424992	/nfs/dbraw/zinc/42/49/92/792424992.db2.gz	NXHQNDZFJDULAO-UHFFFAOYSA-N	1	0	367.409	1.800	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1	ZINC000415587092	792609321	/nfs/dbraw/zinc/60/93/21/792609321.db2.gz	YSJFVSYMKGILQE-VHSXEESVSA-N	1	0	370.331	1.591	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1	ZINC000415587090	792609802	/nfs/dbraw/zinc/60/98/02/792609802.db2.gz	YSJFVSYMKGILQE-UWVGGRQHSA-N	1	0	370.331	1.591	20	30		FDEDRO
N#CC1(COC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)COC1	ZINC000893041638	792622602	/nfs/dbraw/zinc/62/26/02/792622602.db2.gz	MMUBJWKBLIPEQO-YLJYHZDGSA-N	1	0	356.422	1.608	20	30		FDEDRO
N#Cc1cccc(-c2csc(NC(=O)C(=O)NCC[C@H]3CCC[NH2+]3)n2)c1	ZINC000415627371	792722800	/nfs/dbraw/zinc/72/28/00/792722800.db2.gz	XFLOHQANEKAUBF-CQSZACIVSA-N	1	0	369.450	1.879	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1C(F)(F)F	ZINC000415636719	792729045	/nfs/dbraw/zinc/72/90/45/792729045.db2.gz	YIOKLEGWCRXCHP-BETUJISGSA-N	1	0	366.343	1.868	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1	ZINC000415738026	792902622	/nfs/dbraw/zinc/90/26/22/792902622.db2.gz	DFZMOUMPEQQINZ-KFWWJZLASA-N	1	0	372.494	1.945	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1	ZINC000415764130	792944471	/nfs/dbraw/zinc/94/44/71/792944471.db2.gz	PGIIBTOEOZTAMR-MRXNPFEDSA-N	1	0	371.485	1.901	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1	ZINC000415787516	792993296	/nfs/dbraw/zinc/99/32/96/792993296.db2.gz	QDCONUYHZICEOC-PBHICJAKSA-N	1	0	356.426	1.518	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCc4ccco4)[C@@H]3C2)C1=O	ZINC001075540886	793113068	/nfs/dbraw/zinc/11/30/68/793113068.db2.gz	VHEIQKJGKUDWNL-CGTJXYLNSA-N	1	0	357.454	1.532	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)Nc3ccc(OCC[NH3+])cc3)CC2)nc1	ZINC000415933936	793394800	/nfs/dbraw/zinc/39/48/00/793394800.db2.gz	GTJGMDDEVZDPHQ-UHFFFAOYSA-N	1	0	366.425	1.645	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2csc(Cl)c2)C[C@H]1C	ZINC001104757692	793475134	/nfs/dbraw/zinc/47/51/34/793475134.db2.gz	IHLOVARUDYBSRW-CHWSQXEVSA-N	1	0	367.902	1.839	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]C[C@@H]3CCCCO3)C2)nn1	ZINC001104769408	793556160	/nfs/dbraw/zinc/55/61/60/793556160.db2.gz	TXVIYSFHWOKJGP-ZACQAIPSSA-N	1	0	361.490	1.721	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C)C1	ZINC001104774246	793573318	/nfs/dbraw/zinc/57/33/18/793573318.db2.gz	FDUFVMAUXLAXIZ-VXNCWWDNSA-N	1	0	365.518	1.520	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCC[C@@H](C)O)C2)nn1	ZINC001104777687	793601000	/nfs/dbraw/zinc/60/10/00/793601000.db2.gz	SPHUCPUEWNZIFD-BRWVUGGUSA-N	1	0	363.506	1.703	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(-n3cnnc3)cc2)C[C@H]1C	ZINC001104791749	793692993	/nfs/dbraw/zinc/69/29/93/793692993.db2.gz	AEGFGVIFTSPCQE-SJLPKXTDSA-N	1	0	351.454	1.978	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2csc(C)c2)C[C@H]1C	ZINC001104795565	793724711	/nfs/dbraw/zinc/72/47/11/793724711.db2.gz	TWXVWUNXYQHUNW-FVQBIDKESA-N	1	0	361.511	1.882	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccnc(C)c2)C[C@H]1C	ZINC001104817145	793874453	/nfs/dbraw/zinc/87/44/53/793874453.db2.gz	ZKMWNRHXJWXLTB-UWWQBHOKSA-N	1	0	356.470	1.216	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccncn2)C[C@H]1C	ZINC001104816167	793881941	/nfs/dbraw/zinc/88/19/41/793881941.db2.gz	UDAYHJRIDRUPDZ-IAGOWNOFSA-N	1	0	371.485	1.365	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)c2cccc(-n3cncn3)n2)C[C@H]1C	ZINC001104852037	794069215	/nfs/dbraw/zinc/06/92/15/794069215.db2.gz	JDCRBFBCZZYMOX-HZPDHXFCSA-N	1	0	354.458	1.926	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cnoc2C(C)C)C[C@H]1C	ZINC001104863922	794121456	/nfs/dbraw/zinc/12/14/56/794121456.db2.gz	QQHWFCJZPBDAAE-HUUCEWRRSA-N	1	0	362.474	1.788	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CCC(=O)NCCCOC)C[C@H]1C	ZINC001104893294	794243643	/nfs/dbraw/zinc/24/36/43/794243643.db2.gz	UBNAJJSPIIGAJK-QZTJIDSGSA-N	1	0	367.534	1.960	20	30		FDEDRO
CC(C)C[C@@H](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104894655	794253271	/nfs/dbraw/zinc/25/32/71/794253271.db2.gz	JJLYBVWPPGFSMY-BRWVUGGUSA-N	1	0	350.507	1.773	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C[NH+](C)C)c1	ZINC000660009882	794257538	/nfs/dbraw/zinc/25/75/38/794257538.db2.gz	CLWCTZOLDPYTIU-INIZCTEOSA-N	1	0	365.499	1.707	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1C	ZINC001104898130	794284603	/nfs/dbraw/zinc/28/46/03/794284603.db2.gz	KZTIWLPCVXEXDI-QLFBSQMISA-N	1	0	369.456	1.634	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)C2CCC(C(=O)N(C)C)CC2)C[C@H]1C	ZINC001104901352	794305977	/nfs/dbraw/zinc/30/59/77/794305977.db2.gz	BRAPVYUYVFDVKM-LWSMDNFKSA-N	1	0	361.530	1.979	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2coc(CCC)n2)C[C@H]1C	ZINC001104902021	794308773	/nfs/dbraw/zinc/30/87/73/794308773.db2.gz	DQWBAXTUJHMSLF-HUUCEWRRSA-N	1	0	360.458	1.064	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)C2CC3(C2)CCOCC3)C[C@H]1C	ZINC001104904856	794311381	/nfs/dbraw/zinc/31/13/81/794311381.db2.gz	NNVBSBXYBNOCNA-QZTJIDSGSA-N	1	0	362.514	1.917	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)c2ccc(C)cc2)C[C@H]1C	ZINC001104921579	794403554	/nfs/dbraw/zinc/40/35/54/794403554.db2.gz	IXTDHYYZOYUNBQ-QWFCFKBJSA-N	1	0	369.509	1.922	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@H]1C	ZINC001104932755	794452151	/nfs/dbraw/zinc/45/21/51/794452151.db2.gz	LWNCWGVXNKLYIM-CHWSQXEVSA-N	1	0	363.424	1.951	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1	ZINC000974124871	794474185	/nfs/dbraw/zinc/47/41/85/794474185.db2.gz	ZFUYXLZGSNRCCK-ZMMAXQRCSA-N	1	0	363.502	1.463	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)c2ccccc2)C[C@H]1C	ZINC001104940692	794496814	/nfs/dbraw/zinc/49/68/14/794496814.db2.gz	HRPMIUUATNMCGZ-IEBWSBKVSA-N	1	0	371.481	1.140	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2c(F)cccc2F)C[C@H]1C	ZINC001104946885	794530764	/nfs/dbraw/zinc/53/07/64/794530764.db2.gz	CKTJMFJXMQZHGE-ZIAGYGMSSA-N	1	0	365.424	1.955	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2ccc(C)c(C)c2)C[C@H]1C	ZINC001104985251	794736253	/nfs/dbraw/zinc/73/62/53/794736253.db2.gz	SKQQTBVCZHICCS-UYAOXDASSA-N	1	0	369.509	1.670	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1CC[NH2+]CC#Cc1ccc(F)cc1	ZINC001104986322	794741836	/nfs/dbraw/zinc/74/18/36/794741836.db2.gz	AFVWGBTWHHODTR-SJLPKXTDSA-N	1	0	369.444	1.543	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1CC[NH2+]CC#Cc1ccccc1	ZINC001104986398	794742047	/nfs/dbraw/zinc/74/20/47/794742047.db2.gz	FGPMYOCGUXISFB-IEBWSBKVSA-N	1	0	351.454	1.404	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(CC)n2)C[C@H]1c1ccccc1	ZINC001211691087	806357262	/nfs/dbraw/zinc/35/72/62/806357262.db2.gz	UQBGKOKTUNBPOI-PKOBYXMFSA-N	1	0	364.449	1.484	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@]3(CCCCO3)[C@@H]2C#N)CC1	ZINC000364005316	794921897	/nfs/dbraw/zinc/92/18/97/794921897.db2.gz	KJVREAZDSKIMDP-AZUAARDMSA-N	1	0	362.518	1.903	20	30		FDEDRO
Cc1cc(NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)c(C#N)cc1N(C)C	ZINC000417122397	794985467	/nfs/dbraw/zinc/98/54/67/794985467.db2.gz	BAISJZQPWXYRDM-OAHLLOKOSA-N	1	0	358.490	1.690	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1CNC(=O)[C@H](O)c1ccc(C#N)cc1	ZINC000780916845	794999293	/nfs/dbraw/zinc/99/92/93/794999293.db2.gz	AGLUKMCHSSJWPG-LJQANCHMSA-N	1	0	353.422	1.848	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC)N2CCCC2=O)C[C@H]1C	ZINC001105034031	795013554	/nfs/dbraw/zinc/01/35/54/795013554.db2.gz	JQJBNSKJAIOPIB-KURKYZTESA-N	1	0	365.518	1.664	20	30		FDEDRO
Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)c(C)n1	ZINC001105048998	795063154	/nfs/dbraw/zinc/06/31/54/795063154.db2.gz	RYHANVAQXWVZFS-CZUORRHYSA-N	1	0	357.458	1.026	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1	ZINC000974321899	795178954	/nfs/dbraw/zinc/17/89/54/795178954.db2.gz	QMDVAQRWWYJNKX-WKULXVSPSA-N	1	0	361.486	1.215	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C[C@H]1C	ZINC001105083813	795188569	/nfs/dbraw/zinc/18/85/69/795188569.db2.gz	DQQCJEGLVXKQKZ-CWLROJRBSA-N	1	0	357.498	1.102	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCCCC2)C1	ZINC001105085391	795195680	/nfs/dbraw/zinc/19/56/80/795195680.db2.gz	NVXGFSJPOGDJJV-QZTJIDSGSA-N	1	0	365.518	1.666	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)CS(C)(=O)=O)C[C@H]1C	ZINC001105085443	795206408	/nfs/dbraw/zinc/20/64/08/795206408.db2.gz	QSCXDTRNMDRACT-TZMCWYRMSA-N	1	0	364.939	1.884	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC2CCCC2)C1	ZINC001105089888	795232273	/nfs/dbraw/zinc/23/22/73/795232273.db2.gz	ACJUOLUBXKCOEA-IXDOHACOSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC(C)(C)C)C1	ZINC001105090111	795233675	/nfs/dbraw/zinc/23/36/75/795233675.db2.gz	JZPZNEPBICVWLP-IAGOWNOFSA-N	1	0	367.534	1.816	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCN(CC=C)C2=O)C1	ZINC001105090216	795233764	/nfs/dbraw/zinc/23/37/64/795233764.db2.gz	MYBMUCVIMGACSB-KURKYZTESA-N	1	0	363.502	1.440	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NCCC)C1	ZINC001105090350	795234870	/nfs/dbraw/zinc/23/48/70/795234870.db2.gz	SACVPLYDVIXENI-BRWVUGGUSA-N	1	0	353.507	1.568	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)OCCC(C)C)C[C@H]1C	ZINC001105090937	795238266	/nfs/dbraw/zinc/23/82/66/795238266.db2.gz	NIKKLIHDEOXCLQ-KZNAEPCWSA-N	1	0	367.534	1.814	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cncc(OC)n2)C1	ZINC001105090812	795238358	/nfs/dbraw/zinc/23/83/58/795238358.db2.gz	JSTTXWGPIGJGEH-OWCLPIDISA-N	1	0	362.474	1.651	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000974335634	795252756	/nfs/dbraw/zinc/25/27/56/795252756.db2.gz	ZKCBBFXRAFELLL-WTTBNOFXSA-N	1	0	354.410	1.302	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCO[C@H](C[NH3+])C3)C2)c(F)c1	ZINC000417582668	795305839	/nfs/dbraw/zinc/30/58/39/795305839.db2.gz	VMYGDPCVUPWNQM-LSDHHAIUSA-N	1	0	361.421	1.035	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc3n(c2)CCCC3)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001105124337	795355171	/nfs/dbraw/zinc/35/51/71/795355171.db2.gz	YMHWZIJIDOZEOP-HZPDHXFCSA-N	1	0	371.485	1.152	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)n1	ZINC001058813675	806414857	/nfs/dbraw/zinc/41/48/57/806414857.db2.gz	WJBIMXMUHCSSQD-YYIAUSFCSA-N	1	0	362.437	1.968	20	30		FDEDRO
C[NH2+]C[C@H]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000418014967	795462580	/nfs/dbraw/zinc/46/25/80/795462580.db2.gz	VKJVIZBXRWINDR-SJLPKXTDSA-N	1	0	369.469	1.695	20	30		FDEDRO
COCC[NH2+]CCNC(=O)NC1CCC(Oc2ncccc2C#N)CC1	ZINC000418044684	795489448	/nfs/dbraw/zinc/48/94/48/795489448.db2.gz	FDLPAUWMYSGHPY-UHFFFAOYSA-N	1	0	361.446	1.178	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CCC3CC3)nn2)C1	ZINC001105242755	795527649	/nfs/dbraw/zinc/52/76/49/795527649.db2.gz	GVYYPZFVKUPUBU-MSOLQXFVSA-N	1	0	359.474	1.532	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CCCCC)nn2)C1	ZINC001105242793	795531396	/nfs/dbraw/zinc/53/13/96/795531396.db2.gz	IMBISDCSIZUPIR-MSOLQXFVSA-N	1	0	361.490	1.922	20	30		FDEDRO
CCCCCCC[NH2+]Cc1cn(C2CN(C(=O)[C@]34C[C@H]3COC4)C2)nn1	ZINC001105246733	795536346	/nfs/dbraw/zinc/53/63/46/795536346.db2.gz	FYMSHGPVMKMNKU-KXBFYZLASA-N	1	0	361.490	1.758	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(C)C)C1	ZINC001111598257	795733872	/nfs/dbraw/zinc/73/38/72/795733872.db2.gz	QBABWUZYBZEPDJ-DEYYWGMASA-N	1	0	350.463	1.013	20	30		FDEDRO
C=CCn1c(-c2nnn(C)c2C)nnc1N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1	ZINC000651512030	795777001	/nfs/dbraw/zinc/77/70/01/795777001.db2.gz	UUGUEZJHYPGRTO-IIAWOOMASA-N	1	0	370.505	1.735	20	30		FDEDRO
C=C(C)CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)nn1	ZINC001105285220	795805938	/nfs/dbraw/zinc/80/59/38/795805938.db2.gz	ITCRNRIQEDVAMP-JCGIZDLHSA-N	1	0	359.474	1.532	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CCN1Cc1ccccc1	ZINC000418418589	795893437	/nfs/dbraw/zinc/89/34/37/795893437.db2.gz	WLMDBWHZPCHRRM-OTWHNJEPSA-N	1	0	355.486	1.923	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21	ZINC000974463680	796002019	/nfs/dbraw/zinc/00/20/19/796002019.db2.gz	HNCSTBKJYSWKMW-KBRIMQKVSA-N	1	0	355.442	1.044	20	30		FDEDRO
N#Cc1cccc(NC(=O)C2CCN(C(=O)NC[C@@H]([NH3+])C3CC3)CC2)c1	ZINC000418502229	796019651	/nfs/dbraw/zinc/01/96/51/796019651.db2.gz	UFHJISIVRUAXGK-QGZVFWFLSA-N	1	0	355.442	1.656	20	30		FDEDRO
CC(C)C[C@H](NC(=O)/C=C\c1ccccc1C#N)C(=O)NCC[NH+](C)C	ZINC000759903374	796102704	/nfs/dbraw/zinc/10/27/04/796102704.db2.gz	MWQKCQYNPBYUGE-LPADLIQXSA-N	1	0	356.470	1.780	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1	ZINC000979849702	806538947	/nfs/dbraw/zinc/53/89/47/806538947.db2.gz	GLGGCULCNQDYEF-DZVNLGKHSA-N	1	0	363.502	1.320	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C3CCC3)C2)CC1	ZINC000979912857	806601073	/nfs/dbraw/zinc/60/10/73/806601073.db2.gz	CMZOUXZOVPIMRK-MVJPYGJCSA-N	1	0	371.525	1.779	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2C[N@H+](Cc3cccc(C#N)c3)CC2(C)C)C1	ZINC000974597574	799907587	/nfs/dbraw/zinc/90/75/87/799907587.db2.gz	SDZJDZHAGAKGTD-OLMNPRSZSA-N	1	0	368.481	1.800	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccn(C)c(=O)c2)C1	ZINC001026851049	799996454	/nfs/dbraw/zinc/99/64/54/799996454.db2.gz	IRHMXJCWSPOLBG-KSZLIROESA-N	1	0	359.470	1.305	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccnc(OC)n2)C1	ZINC001026849668	800015651	/nfs/dbraw/zinc/01/56/51/800015651.db2.gz	BOEXLVUXGFJUED-UAGQMJEPSA-N	1	0	360.458	1.405	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@H](C4CC4)[NH+](C)C)C[C@H]32)cn1	ZINC000974669143	800025397	/nfs/dbraw/zinc/02/53/97/800025397.db2.gz	HCXCYBOCWYDQAK-QRQLOZEOSA-N	1	0	366.465	1.076	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cccc(C)n4)[C@@H]3C2)C1=O	ZINC001075557242	800089857	/nfs/dbraw/zinc/08/98/57/800089857.db2.gz	OVYSBPVPVDIWMR-CGTJXYLNSA-N	1	0	354.454	1.323	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)C[N@H+]4CCC[C@H]4C)C[C@H]32)cc1	ZINC000974704993	800129523	/nfs/dbraw/zinc/12/95/23/800129523.db2.gz	HCPZXTYVTVMZAY-NSISKUIASA-N	1	0	365.477	1.825	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]32)cc1	ZINC000974700282	800140848	/nfs/dbraw/zinc/14/08/48/800140848.db2.gz	HRMPKRIJHYSHFB-GUDVDZBRSA-N	1	0	353.466	1.681	20	30		FDEDRO
CCN(CCC#N)C(=O)CN(C)CCN1CC[NH+](Cc2ccccc2)CC1	ZINC000511813107	800299962	/nfs/dbraw/zinc/29/99/62/800299962.db2.gz	BNHDKIYGXRBTFD-UHFFFAOYSA-N	1	0	371.529	1.498	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(C)nc4)[C@@H]3C2)C1=O	ZINC001075558275	800361233	/nfs/dbraw/zinc/36/12/33/800361233.db2.gz	DRRLMZYNYZFXFE-OKZBNKHCSA-N	1	0	354.454	1.323	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3cnn(-c4ccncc4)c3)C[C@H]21	ZINC000974967764	800616314	/nfs/dbraw/zinc/61/63/14/800616314.db2.gz	ACXQHTKLKWLRNL-CKEIUWERSA-N	1	0	364.409	1.100	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)c4oncc4C)[C@@H]3C2)CC1	ZINC000975004483	800716523	/nfs/dbraw/zinc/71/65/23/800716523.db2.gz	DSOBREDRKHUPMS-IAGOWNOFSA-N	1	0	370.453	1.001	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C(C)(C)C1	ZINC000975030237	800785042	/nfs/dbraw/zinc/78/50/42/800785042.db2.gz	MLIULNQGRWWJAF-BBWFWOEESA-N	1	0	363.502	1.559	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CCCC[N@H+]4C)C[C@H]32)c1	ZINC000975064787	800813345	/nfs/dbraw/zinc/81/33/45/800813345.db2.gz	HDUORBXMOGTPIP-BHIYHBOVSA-N	1	0	366.465	1.220	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cc3n(n2)CCCC3)C1	ZINC001027076978	800892553	/nfs/dbraw/zinc/89/25/53/800892553.db2.gz	ZGACUOQVRKCZRW-IPELMVKDSA-N	1	0	358.486	1.749	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cnns2)C1	ZINC001027113686	800978014	/nfs/dbraw/zinc/97/80/14/800978014.db2.gz	GYRGDLUHGXGFEN-BPUTZDHNSA-N	1	0	350.488	1.848	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H]3CN(C(=O)C[N@H+]4CCC[C@@H]4C)[C@@H]3C2)c1	ZINC000975213212	801008054	/nfs/dbraw/zinc/00/80/54/801008054.db2.gz	PTAXXGVKZPEOJE-KVSKMBFKSA-N	1	0	366.465	1.220	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(OC)nn2)C1	ZINC001027116538	801008074	/nfs/dbraw/zinc/00/80/74/801008074.db2.gz	DKYIILDPBVACRH-HFTRVMKXSA-N	1	0	360.458	1.405	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1	ZINC000975219987	801019405	/nfs/dbraw/zinc/01/94/05/801019405.db2.gz	FZEYWQYDHIBRQG-ZHALLVOQSA-N	1	0	370.497	1.689	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1	ZINC000975321768	801142303	/nfs/dbraw/zinc/14/23/03/801142303.db2.gz	LACKYKKNMSMAIU-WOJBJXKFSA-N	1	0	369.509	1.581	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC000975559202	801505587	/nfs/dbraw/zinc/50/55/87/801505587.db2.gz	ODEUFLDONVRCFC-BBWFWOEESA-N	1	0	361.486	1.028	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CCN(C(=O)[C@H]4CCC[N@H+]4C)C[C@@H]32)cn1	ZINC000975620033	801676744	/nfs/dbraw/zinc/67/67/44/801676744.db2.gz	JDDZAXNTJASKRH-IPELMVKDSA-N	1	0	366.465	1.220	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]21	ZINC000975671290	801905676	/nfs/dbraw/zinc/90/56/76/801905676.db2.gz	UZDWYKVTGHBCOW-VKJFTORMSA-N	1	0	369.469	1.434	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)CC1	ZINC000975698602	802048381	/nfs/dbraw/zinc/04/83/81/802048381.db2.gz	MZOKPHSQVDKRRX-ICSRJNTNSA-N	1	0	371.525	1.970	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)/C(C)=C\C)[C@H]3C2)CC1	ZINC000975754563	802209337	/nfs/dbraw/zinc/20/93/37/802209337.db2.gz	NZLLCOBLHFJWQO-OBBRTWQBSA-N	1	0	357.498	1.747	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]21	ZINC000975810435	802490185	/nfs/dbraw/zinc/49/01/85/802490185.db2.gz	GIQCGFZNCWUQPI-IEZWGBDMSA-N	1	0	368.481	1.971	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@H]3C2)C1	ZINC000975818654	802510302	/nfs/dbraw/zinc/51/03/02/802510302.db2.gz	IIBVVCYOEGVAPQ-MPGHIAIKSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)c1c(N)n(CCOC)c(=O)[nH]c1=O	ZINC000661117559	802755125	/nfs/dbraw/zinc/75/51/25/802755125.db2.gz	SATFQIVNNFPDRG-CHWSQXEVSA-N	1	0	364.446	1.085	20	30		FDEDRO
C=CCN(CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)[C@H](C)COC	ZINC000661241692	803086291	/nfs/dbraw/zinc/08/62/91/803086291.db2.gz	DLRWEVFDHNPYCL-QGZVFWFLSA-N	1	0	373.497	1.930	20	30		FDEDRO
C=CC[C@]1(C(=O)Nc2ccc(CN3CCN(C(C)=O)CC3)cc2)CCC[NH2+]1	ZINC000662798115	803313732	/nfs/dbraw/zinc/31/37/32/803313732.db2.gz	AJAISOVFOSVQLD-OAQYLSRUSA-N	1	0	370.497	1.988	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2cc[nH]c2C)CC1	ZINC000976479985	803414459	/nfs/dbraw/zinc/41/44/59/803414459.db2.gz	KGUUWTDFDDUBEU-RTBURBONSA-N	1	0	370.497	1.826	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC000976483135	803418073	/nfs/dbraw/zinc/41/80/73/803418073.db2.gz	RJYAYEALDSPEGE-JFIYKMOQSA-N	1	0	371.485	1.916	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C[NH+]2CCCC2)c1	ZINC000976697863	803771258	/nfs/dbraw/zinc/77/12/58/803771258.db2.gz	FYYFQGPUBOAAKH-QZTJIDSGSA-N	1	0	354.454	1.316	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1	ZINC000423173143	814987642	/nfs/dbraw/zinc/98/76/42/814987642.db2.gz	XCMNEHVUWIBLOP-WBVHZDCISA-N	1	0	359.470	1.653	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCCC[N@H+]2C)c1	ZINC000976920864	804095931	/nfs/dbraw/zinc/09/59/31/804095931.db2.gz	KAAFOSCUWCNXGZ-QRVBRYPASA-N	1	0	368.481	1.704	20	30		FDEDRO
C=CCN(Cc1ccccc1F)C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2	ZINC000423187758	814994861	/nfs/dbraw/zinc/99/48/61/814994861.db2.gz	PMAZKYKBJGOVPW-UHFFFAOYSA-N	1	0	359.445	1.942	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4COCCO4)[C@@H]3C2)cc1	ZINC001075568392	804459576	/nfs/dbraw/zinc/45/95/76/804459576.db2.gz	ZFTSGPNWMCMSRB-UHOSZYNNSA-N	1	0	371.437	1.037	20	30		FDEDRO
C#C[C@@H]1CCCCN1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1	ZINC000893495006	804671367	/nfs/dbraw/zinc/67/13/67/804671367.db2.gz	UOKFVBJEHSUQLG-QGZVFWFLSA-N	1	0	362.518	1.810	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1	ZINC000662962347	804731378	/nfs/dbraw/zinc/73/13/78/804731378.db2.gz	VTEWDGMBHXSYFR-XMTFNYHQSA-N	1	0	363.502	1.546	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H]2CN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)c1	ZINC000977813696	804947031	/nfs/dbraw/zinc/94/70/31/804947031.db2.gz	FTLUQADWFIHKPR-CEXWTWQISA-N	1	0	368.481	1.466	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]2CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1	ZINC000977801320	804960860	/nfs/dbraw/zinc/96/08/60/804960860.db2.gz	SCMSQZAUGRFTQH-AYOQOUSVSA-N	1	0	353.466	1.681	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]2CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)nc1	ZINC000977802215	804963316	/nfs/dbraw/zinc/96/33/16/804963316.db2.gz	VTCPDWBJKFMDGU-HYVNUMGLSA-N	1	0	354.454	1.076	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H]2CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1	ZINC000977817272	804980196	/nfs/dbraw/zinc/98/01/96/804980196.db2.gz	NMYOQCOKUBUBFT-ZTFGCOKTSA-N	1	0	354.454	1.076	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccn(C)c(=O)c2)C1	ZINC001027584781	805157947	/nfs/dbraw/zinc/15/79/47/805157947.db2.gz	SLJZURHECIOAGI-KSZLIROESA-N	1	0	359.470	1.399	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1c1ccccc1	ZINC001211676273	805277051	/nfs/dbraw/zinc/27/70/51/805277051.db2.gz	HQFUBWXFIDMAAA-RBUKOAKNSA-N	1	0	351.454	1.355	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCO[C@H]3c3nccn3C)[C@@H]2C1	ZINC000978297229	805347572	/nfs/dbraw/zinc/34/75/72/805347572.db2.gz	XAXVZHGXHLUJJP-HSFUPAIVSA-N	1	0	358.486	1.758	20	30		FDEDRO
C#Cc1cncc(C(=O)N(C)C[C@@H]2CCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1	ZINC000978348286	805363498	/nfs/dbraw/zinc/36/34/98/805363498.db2.gz	NVIRPGSNISQSTD-FHLIZLRMSA-N	1	0	354.454	1.076	20	30		FDEDRO
C=CCn1cc(C(=O)Nc2cccc(NC(=O)C[NH+](CC)CC)c2)nn1	ZINC000648393683	805392756	/nfs/dbraw/zinc/39/27/56/805392756.db2.gz	QPTNPFQHIIVTBQ-UHFFFAOYSA-N	1	0	356.430	1.997	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1[nH]c(C)nc1C)C2	ZINC001112531229	807001424	/nfs/dbraw/zinc/00/14/24/807001424.db2.gz	MHWWNLJUPVMYEM-KXBFYZLASA-N	1	0	359.474	1.161	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C1	ZINC000980576584	807076519	/nfs/dbraw/zinc/07/65/19/807076519.db2.gz	VPYGUTFUDSKMOO-TVFCKZIOSA-N	1	0	363.502	1.320	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1	ZINC000423521632	815111179	/nfs/dbraw/zinc/11/11/79/815111179.db2.gz	GIMDLHAYDFFBOO-RANZSIQMSA-N	1	0	354.454	1.480	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@@H]3CCC[N@H+]3C)C2)nc1	ZINC000981052624	807497859	/nfs/dbraw/zinc/49/78/59/807497859.db2.gz	WFCVOVMWMWSOAC-JZXOWHBKSA-N	1	0	354.454	1.172	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1	ZINC000981111838	807570527	/nfs/dbraw/zinc/57/05/27/807570527.db2.gz	ZZZNWSMGBBNWDM-YXJHDRRASA-N	1	0	371.485	1.774	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1	ZINC000981177696	807654050	/nfs/dbraw/zinc/65/40/50/807654050.db2.gz	HGNTUBWULFRSHD-DAYGRLMNSA-N	1	0	371.485	1.775	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1	ZINC000981179540	807659195	/nfs/dbraw/zinc/65/91/95/807659195.db2.gz	WYPXKXCQCVPWJQ-SOUVJXGZSA-N	1	0	357.458	1.385	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C(N)=O)cc2)CC1	ZINC000981190136	807689203	/nfs/dbraw/zinc/68/92/03/807689203.db2.gz	RNBRSCHERQWIEQ-MOPGFXCFSA-N	1	0	371.481	1.801	20	30		FDEDRO
N#Cc1cccc(OC2CCN(C(=O)C(=O)N3CCCC[C@@H]3C[NH3+])CC2)c1	ZINC000423618071	815161480	/nfs/dbraw/zinc/16/14/80/815161480.db2.gz	GZGFXBOCBOQLIL-MRXNPFEDSA-N	1	0	370.453	1.268	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1	ZINC000652677337	808346752	/nfs/dbraw/zinc/34/67/52/808346752.db2.gz	YGBYEMKHUIMVIJ-NXOAAHMSSA-N	1	0	351.491	1.592	20	30		FDEDRO
O=C(NCC#Cc1cccc(F)c1)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000512163413	808589177	/nfs/dbraw/zinc/58/91/77/808589177.db2.gz	FQJXDRVHMIWHII-GOSISDBHSA-N	1	0	359.445	1.931	20	30		FDEDRO
C[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)[C@H]1C[NH3+]	ZINC000423733823	815228209	/nfs/dbraw/zinc/22/82/09/815228209.db2.gz	OFOYEOHUPFWZLU-RANZSIQMSA-N	1	0	354.454	1.338	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@]34C[C@H]3CCC4)C2)CC1	ZINC000981898084	808730960	/nfs/dbraw/zinc/73/09/60/808730960.db2.gz	AQXJTQAMYNNHAL-OSGXGRJZSA-N	1	0	371.525	1.923	20	30		FDEDRO
C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCO[C@H]3c3ccnn3CC)C[C@@]2(C)C1	ZINC000982300060	809145423	/nfs/dbraw/zinc/14/54/23/809145423.db2.gz	RJCZAOAEJKDSDY-DWIQEWEKSA-N	1	0	370.497	1.784	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@H]1c1ccccc1	ZINC001211720435	809261573	/nfs/dbraw/zinc/26/15/73/809261573.db2.gz	HNRWTRMCTWYLIW-DLBZAZTESA-N	1	0	355.438	1.296	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cncc(C(N)=O)c2)C[C@H]1c1ccccc1	ZINC001211724144	809340281	/nfs/dbraw/zinc/34/02/81/809340281.db2.gz	OTWBAHQOOVNJOD-RBUKOAKNSA-N	1	0	362.433	1.402	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc2)C[C@@H](C)O1	ZINC000424100360	815306778	/nfs/dbraw/zinc/30/67/78/815306778.db2.gz	KNNMZVTWKFEKRU-CKEIUWERSA-N	1	0	358.442	1.896	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)C[C@H]1c1ccccc1	ZINC001211730389	809675469	/nfs/dbraw/zinc/67/54/69/809675469.db2.gz	ZUZDOOYMGKDIIU-DLBZAZTESA-N	1	0	365.499	1.038	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NCCC[NH3+])c1ccc(-c2cccc(C#N)c2)cc1	ZINC000419207501	809772107	/nfs/dbraw/zinc/77/21/07/809772107.db2.gz	MTYNWFNNNGYZGF-AWEZNQCLSA-N	1	0	350.422	1.867	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCCCC(=O)NC)C[C@H]1c1ccccc1	ZINC001211733650	809890832	/nfs/dbraw/zinc/89/08/32/809890832.db2.gz	BMQMDGJBAQMDHQ-RBUKOAKNSA-N	1	0	355.482	1.900	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](CCCC)NC(N)=O)C[C@H]1c1ccccc1	ZINC001211736279	809926479	/nfs/dbraw/zinc/92/64/79/809926479.db2.gz	PGFKLTJHJCGQHT-OKZBNKHCSA-N	1	0	356.470	1.431	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COC[C@@H]2CCCO2)C[C@H]1c1ccccc1	ZINC001211738542	809932601	/nfs/dbraw/zinc/93/26/01/809932601.db2.gz	HPGPZPOKMRHPJD-SLFFLAALSA-N	1	0	356.466	1.790	20	30		FDEDRO
C[NH+]=C(NCc1c(C)cc(C)cc1C)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261709256	810140548	/nfs/dbraw/zinc/14/05/48/810140548.db2.gz	JUZDOOSVWPMVTH-UHFFFAOYSA-N	1	0	368.485	1.770	20	30		FDEDRO
C=CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCNC2=O)C1	ZINC001087457347	810185338	/nfs/dbraw/zinc/18/53/38/810185338.db2.gz	VXCHLBOCTKJXBP-FGTMMUONSA-N	1	0	359.445	1.812	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(N(C)C)c2)C[C@H]1OC	ZINC001212178240	810242228	/nfs/dbraw/zinc/24/22/28/810242228.db2.gz	ODFIHEHHKUJUPN-QWFCFKBJSA-N	1	0	361.486	1.395	20	30		FDEDRO
C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)c2ccc(C#N)o2)CC1	ZINC000429892176	810313349	/nfs/dbraw/zinc/31/33/49/810313349.db2.gz	TYECSWDDXHWJHT-UHFFFAOYSA-N	1	0	360.458	1.707	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@]1(C)C[N@H+](Cc1ccccc1C#N)C2	ZINC000982557555	810336181	/nfs/dbraw/zinc/33/61/81/810336181.db2.gz	QNNXSVKKOVMTNC-OVQGTLEDSA-N	1	0	366.465	1.350	20	30		FDEDRO
C[C@@H](CN1CCCC1=O)[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000433298838	810402310	/nfs/dbraw/zinc/40/23/10/810402310.db2.gz	ACLFPDCXTLQSMY-HNNXBMFYSA-N	1	0	352.442	1.959	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3ccnc3C2)C[C@H]1C(F)(F)F	ZINC001112123442	810407986	/nfs/dbraw/zinc/40/79/86/810407986.db2.gz	JQBUYTCPHYZRLM-MGPQQGTHSA-N	1	0	354.376	1.448	20	30		FDEDRO
C#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCC(=O)N(C)C2)C1	ZINC001087460219	810573148	/nfs/dbraw/zinc/57/31/48/810573148.db2.gz	XBPKNTBSDJXFNI-BHIYHBOVSA-N	1	0	371.456	1.601	20	30		FDEDRO
C[NH+]=C(NCCN1C(=O)c2ccccc2C1=O)N[C@@H]1C[C@H](OC)C1(C)C	ZINC000261742829	810596383	/nfs/dbraw/zinc/59/63/83/810596383.db2.gz	LERXYHXBEHIIHX-CABCVRRESA-N	1	0	358.442	1.261	20	30		FDEDRO
C=CCCn1cc(C(=O)NCc2ccc(N3CC[NH+](CC)CC3)nc2)nn1	ZINC000424586263	815392730	/nfs/dbraw/zinc/39/27/30/815392730.db2.gz	DWZBZNKTROPKLD-UHFFFAOYSA-N	1	0	369.473	1.321	20	30		FDEDRO
CN(C)c1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)ccn1	ZINC001075658654	810909481	/nfs/dbraw/zinc/90/94/81/810909481.db2.gz	MVWVIHUXMBHDNN-FUHWJXTLSA-N	1	0	364.453	1.694	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)C4CC(F)(F)C4)[C@@H]3C2)C1=O	ZINC001075673190	811218546	/nfs/dbraw/zinc/21/85/46/811218546.db2.gz	XTHSLCYAZYPZPX-AEGPPILISA-N	1	0	353.413	1.351	20	30		FDEDRO
C[NH+]=C(NCC(=O)N1CCCc2ccccc21)N1CCC[C@H](CC(N)=O)C1	ZINC000261838530	811330276	/nfs/dbraw/zinc/33/02/76/811330276.db2.gz	WHWZFBXHHQTDSB-OAHLLOKOSA-N	1	0	371.485	1.129	20	30		FDEDRO
Cc1nnc(CNC(=[NH+]C[C@@H]2CCCO2)N2CCc3ccccc32)n1C	ZINC000261948139	811350894	/nfs/dbraw/zinc/35/08/94/811350894.db2.gz	GMMNOIGKOMGYHD-INIZCTEOSA-N	1	0	354.458	1.811	20	30		FDEDRO
C[NH+]=C(NCc1nnc(C)n1C)N[C@H]1CCCN(c2cccc(F)c2)C1	ZINC000261951033	811351843	/nfs/dbraw/zinc/35/18/43/811351843.db2.gz	HIRQDLYVSNYXOW-HNNXBMFYSA-N	1	0	359.453	1.597	20	30		FDEDRO
Cc1nc2n(n1)CCC[C@@H]2NC(NCc1nnc(C)n1C)=[NH+]C1CCCC1	ZINC000262015855	811368301	/nfs/dbraw/zinc/36/83/01/811368301.db2.gz	XSWFYSUQDBPDRS-HNNXBMFYSA-N	1	0	371.493	1.536	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CCn4cc(Cl)cn4)C[C@H]32)[nH]1	ZINC001075700083	815447911	/nfs/dbraw/zinc/44/79/11/815447911.db2.gz	BUCNDEJLHSGVTE-BLLLJJGKSA-N	1	0	358.833	1.583	20	30		FDEDRO
[NH2+]=C(NCc1cc(Cl)cc2c1OCC2)N1CCN(c2ncccn2)CC1	ZINC000262359597	811450054	/nfs/dbraw/zinc/45/00/54/811450054.db2.gz	IJILLYYPYZOQIM-UHFFFAOYSA-N	1	0	372.860	1.702	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCCNC2=O)C1	ZINC001087465302	811489689	/nfs/dbraw/zinc/48/96/89/811489689.db2.gz	HBXHYKSGIWCDEI-CEXWTWQISA-N	1	0	371.456	1.649	20	30		FDEDRO
C=CCC[N@@H+](C)CC(=O)N1CCN(CC(=O)Nc2ccccc2CC)CC1	ZINC000467287549	811511603	/nfs/dbraw/zinc/51/16/03/811511603.db2.gz	CCGZZGOSRYWNBB-UHFFFAOYSA-N	1	0	372.513	1.840	20	30		FDEDRO
C[NH+]=C(NC[C@H](O)C1CCCCC1)N[C@H]1CCCN(c2ncccn2)C1	ZINC000262767429	811548491	/nfs/dbraw/zinc/54/84/91/811548491.db2.gz	GNWVIPVNOXZMFW-IRXDYDNUSA-N	1	0	360.506	1.552	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CCO[C@@H]4CC4(F)F)C[C@H]32)[nH]1	ZINC001075700521	815464589	/nfs/dbraw/zinc/46/45/89/815464589.db2.gz	UCEUMQGCLYTCEX-NILFDRSVSA-N	1	0	350.369	1.457	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)C(=O)NCC2([NH3+])CCCCCC2)cc1	ZINC000419465849	811976489	/nfs/dbraw/zinc/97/64/89/811976489.db2.gz	PTLAKHLYTPVYJI-UHFFFAOYSA-N	1	0	358.442	1.221	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cncc(F)c4)[C@@H]3C2)C1=O	ZINC001075681115	812069587	/nfs/dbraw/zinc/06/95/87/812069587.db2.gz	YHASQBSYLFMHCO-IAOVAPTHSA-N	1	0	358.417	1.154	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)c1ccc(F)c(F)c1	ZINC000419673455	812084946	/nfs/dbraw/zinc/08/49/46/812084946.db2.gz	HKQGBTSUPSYJJL-CJNGLKHVSA-N	1	0	367.396	1.274	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1	ZINC000983304706	815528999	/nfs/dbraw/zinc/52/89/99/815528999.db2.gz	WAAYGDYMUROLGN-ZACQAIPSSA-N	1	0	363.502	1.274	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1	ZINC000366504564	813392261	/nfs/dbraw/zinc/39/22/61/813392261.db2.gz	DIZDNZHJASZHBG-BQFCYCMXSA-N	1	0	352.438	1.748	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+]	ZINC000420069845	813436353	/nfs/dbraw/zinc/43/63/53/813436353.db2.gz	UYIOSXTYRQRYGM-ZWKOTPCHSA-N	1	0	372.469	1.167	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1	ZINC000420108709	813464560	/nfs/dbraw/zinc/46/45/60/813464560.db2.gz	YNLQWFXHAZKAEC-RHSMWYFYSA-N	1	0	365.424	1.951	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)CC2)cc1	ZINC000420191205	813542566	/nfs/dbraw/zinc/54/25/66/813542566.db2.gz	HKLNLFUNWDNSJF-QAPCUYQASA-N	1	0	352.438	1.418	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCO[C@H]2CC2(F)F)C1	ZINC001104182608	813791331	/nfs/dbraw/zinc/79/13/31/813791331.db2.gz	HFASDAKBLYYZLR-OAGGEKHMSA-N	1	0	358.429	1.525	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cc(OC)ns2)C1	ZINC001104182582	813793371	/nfs/dbraw/zinc/79/33/71/813793371.db2.gz	GCPPMYVRRPPNKN-HUUCEWRRSA-N	1	0	365.499	1.766	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCN(C[C@H]2CCOC2)CC1	ZINC000261836504	813999635	/nfs/dbraw/zinc/99/96/35/813999635.db2.gz	VWMJMOMMHGNVIY-XDNAFOTISA-N	1	0	362.518	1.174	20	30		FDEDRO
CC(C)(CC#N)CNC(=O)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1	ZINC000421545198	814209465	/nfs/dbraw/zinc/20/94/65/814209465.db2.gz	ZYRCJOYRWWSJOD-KRWDZBQOSA-N	1	0	356.470	1.996	20	30		FDEDRO
Cn1ccnc1C[C@@H]1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000367089495	814319020	/nfs/dbraw/zinc/31/90/20/814319020.db2.gz	LKKUADPYDMQETJ-SFHVURJKSA-N	1	0	351.454	1.863	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cc1	ZINC000983073867	814323836	/nfs/dbraw/zinc/32/38/36/814323836.db2.gz	NPGGBLIRUHQBQX-YZGWKJHDSA-N	1	0	367.493	1.977	20	30		FDEDRO
Cn1nccc1[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1	ZINC000367104568	814324381	/nfs/dbraw/zinc/32/43/81/814324381.db2.gz	BZLBKDNAPBTERY-CRAIPNDOSA-N	1	0	363.421	1.803	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(C)cc1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1	ZINC000261853231	814439423	/nfs/dbraw/zinc/43/94/23/814439423.db2.gz	YGRLXRACHBWALB-HXUWFJFHSA-N	1	0	371.485	1.771	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000271777823	814476439	/nfs/dbraw/zinc/47/64/39/814476439.db2.gz	GKXLQJMODVYPQK-CRQJOFGKSA-N	1	0	364.446	1.548	20	30		FDEDRO
[NH2+]=C(NCCCNc1cccc(F)c1)N1CCN(c2ncccn2)CC1	ZINC000273341942	814793049	/nfs/dbraw/zinc/79/30/49/814793049.db2.gz	NIBSVFLHPADICD-UHFFFAOYSA-N	1	0	357.437	1.555	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](OCC)C1	ZINC000983133749	814801130	/nfs/dbraw/zinc/80/11/30/814801130.db2.gz	ZTISDSBBUGTAAW-QBPKDAKJSA-N	1	0	365.518	1.519	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2Cc3cccc(OC)c3C2)CC1	ZINC000422296251	814806689	/nfs/dbraw/zinc/80/66/89/814806689.db2.gz	OFWFPARBUVAETE-INIZCTEOSA-N	1	0	357.454	1.045	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]Cc1cnc(OC)nc1C	ZINC001167956971	815844859	/nfs/dbraw/zinc/84/48/59/815844859.db2.gz	QVVSBWMBJXDRSX-IRXDYDNUSA-N	1	0	362.474	1.761	20	30		FDEDRO
N#Cc1ccc(C[C@H](C#N)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1	ZINC000282493586	815886252	/nfs/dbraw/zinc/88/62/52/815886252.db2.gz	WJTOCIZNLLRVGA-VQTJNVASSA-N	1	0	366.465	1.811	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)nn1	ZINC000514597082	815897499	/nfs/dbraw/zinc/89/74/99/815897499.db2.gz	BTZBQCOIFMYFLH-UHFFFAOYSA-N	1	0	360.506	1.485	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN(Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2	ZINC000435685740	816137249	/nfs/dbraw/zinc/13/72/49/816137249.db2.gz	ZENOSRVDGKEXJX-KRWDZBQOSA-N	1	0	357.502	1.565	20	30		FDEDRO
CSc1nc(C2CC2)cc(C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)c1C#N	ZINC000515866907	816487349	/nfs/dbraw/zinc/48/73/49/816487349.db2.gz	MQYSYQPVNXFLDT-IBGZPJMESA-N	1	0	372.494	1.739	20	30		FDEDRO
C=CCn1cc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)nn1	ZINC000425541677	816488749	/nfs/dbraw/zinc/48/87/49/816488749.db2.gz	PWLNUMNJNCVHRY-CRAIPNDOSA-N	1	0	354.458	1.926	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)c(OC)c1	ZINC000425539196	816502872	/nfs/dbraw/zinc/50/28/72/816502872.db2.gz	CMDJBYATSQKERW-HZPDHXFCSA-N	1	0	358.442	1.771	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)cc1	ZINC000425544561	816508177	/nfs/dbraw/zinc/50/81/77/816508177.db2.gz	PVYSCBPDMNUMOG-AZUAARDMSA-N	1	0	374.481	1.845	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1	ZINC000425875342	817267230	/nfs/dbraw/zinc/26/72/30/817267230.db2.gz	SVYPOMOBQKGEAH-HZPDHXFCSA-N	1	0	356.470	1.926	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1	ZINC000425881874	817297959	/nfs/dbraw/zinc/29/79/59/817297959.db2.gz	DCAKHWYKMVAWJF-VBQJREDUSA-N	1	0	354.454	1.819	20	30		FDEDRO
CC[NH+]=C(NCCNC(=O)c1cccc(C)c1)N1CC[C@@]2(CCOC2)C1	ZINC000261949373	817523265	/nfs/dbraw/zinc/52/32/65/817523265.db2.gz	GWSKWNJFRKUUGV-HXUWFJFHSA-N	1	0	358.486	1.803	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CCC(C)C)NC(C)=O)C2	ZINC001111522939	817811427	/nfs/dbraw/zinc/81/14/27/817811427.db2.gz	NEQSETFDAVPFRH-MKXGPGLRSA-N	1	0	363.502	1.299	20	30		FDEDRO
C[NH+]=C(NCC(=O)NCc1ccco1)N1CC[C@H](C)[C@H](n2ccnc2)C1	ZINC000261962842	817814059	/nfs/dbraw/zinc/81/40/59/817814059.db2.gz	KQKNZYBKZIMZDU-GOEBONIOSA-N	1	0	358.446	1.251	20	30		FDEDRO
CC[NH+]=C(NCc1ccnc(-n2cccn2)c1)N1CC[C@]2(CCOC2)C1	ZINC000261987741	817919447	/nfs/dbraw/zinc/91/94/47/817919447.db2.gz	QMNHCASSSSQZJZ-IBGZPJMESA-N	1	0	354.458	1.845	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1	ZINC001087473528	818215748	/nfs/dbraw/zinc/21/57/48/818215748.db2.gz	JEUHTDWEIAYTKP-OTWHNJEPSA-N	1	0	371.481	1.824	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1	ZINC001087474654	818270238	/nfs/dbraw/zinc/27/02/38/818270238.db2.gz	QQDQAYAWCKWXMA-NEWSRXKRSA-N	1	0	371.481	1.634	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)C1	ZINC001087475211	818304917	/nfs/dbraw/zinc/30/49/17/818304917.db2.gz	XIDCUGGDTRLKEJ-NEWSRXKRSA-N	1	0	371.481	1.682	20	30		FDEDRO
Cc1cc(NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)nn1CCC#N	ZINC000473790728	818370058	/nfs/dbraw/zinc/37/00/58/818370058.db2.gz	VZPNWYHMNYXNII-UHFFFAOYSA-N	1	0	361.494	1.643	20	30		FDEDRO
COC(=O)c1ccc(NC2CC[NH+](CCC(=O)N(C)C)CC2)c(C#N)n1	ZINC000519835006	819083953	/nfs/dbraw/zinc/08/39/53/819083953.db2.gz	NOQJIHKUTVCIBX-UHFFFAOYSA-N	1	0	359.430	1.094	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3cnn(C)c3C2)C[C@H]1C(F)(F)F	ZINC001112151922	819224421	/nfs/dbraw/zinc/22/44/21/819224421.db2.gz	BJRPQBGWKPNHPE-NWANDNLSSA-N	1	0	368.403	1.527	20	30		FDEDRO
C[C@H]1CN(c2ccc(C(=O)NC3(C#N)CC[NH+](C)CC3)cn2)C[C@H](C)O1	ZINC000520246415	819274622	/nfs/dbraw/zinc/27/46/22/819274622.db2.gz	HEYNITOAGRPRIY-GJZGRUSLSA-N	1	0	357.458	1.413	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)c2ncc[nH]2)CC1	ZINC000983787507	819508888	/nfs/dbraw/zinc/50/88/88/819508888.db2.gz	UIIMAFRASPESEC-WBVHZDCISA-N	1	0	371.485	1.112	20	30		FDEDRO
O=C(NC[C@H]1CCCn2ccnc21)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000328669594	819526963	/nfs/dbraw/zinc/52/69/63/819526963.db2.gz	MEUSWOPJQUBXFM-DLBZAZTESA-N	1	0	361.490	1.719	20	30		FDEDRO
CO[C@H]1C[C@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)N(C(C)=O)C1	ZINC000328600877	819529450	/nfs/dbraw/zinc/52/94/50/819529450.db2.gz	DLTAJAVEHXYKDW-JKSUJKDBSA-N	1	0	361.446	1.057	20	30		FDEDRO
C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@H]2CCC(=O)NC23CCC3)CC1	ZINC000328716125	819540590	/nfs/dbraw/zinc/54/05/90/819540590.db2.gz	TVTGXCSCLNLKDD-HOCLYGCPSA-N	1	0	366.506	1.967	20	30		FDEDRO
COCC(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1	ZINC000328825581	819555136	/nfs/dbraw/zinc/55/51/36/819555136.db2.gz	RXHJTFGEVKHJPR-FUHWJXTLSA-N	1	0	374.485	1.527	20	30		FDEDRO
Cn1cc(N2CCC[C@@H](NC(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)C2)cn1	ZINC000328878755	819575272	/nfs/dbraw/zinc/57/52/72/819575272.db2.gz	UTQQYRBQXAXTRM-QZTJIDSGSA-N	1	0	374.533	1.967	20	30		FDEDRO
CN(Cc1ccccc1)C(=O)NCCC(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21	ZINC000328930147	819596726	/nfs/dbraw/zinc/59/67/26/819596726.db2.gz	AMZUMGDSTQHBKZ-ROUUACIJSA-N	1	0	374.485	1.354	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2C[N@H+](C[C@H]3COc4ccccc4O3)C[C@H]21	ZINC001075780305	819620670	/nfs/dbraw/zinc/62/06/70/819620670.db2.gz	HZUDTLGZPCSXKE-OKZBNKHCSA-N	1	0	352.434	1.773	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C[C@@H]1C	ZINC000330644716	819627844	/nfs/dbraw/zinc/62/78/44/819627844.db2.gz	KQQOMQMMOPLABR-GBESFXJTSA-N	1	0	363.550	1.483	20	30		FDEDRO
COc1ccc(NC(C)=O)cc1NC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C	ZINC000331157997	819668051	/nfs/dbraw/zinc/66/80/51/819668051.db2.gz	DYQGNKIOYYYICH-CHWSQXEVSA-N	1	0	364.446	1.586	20	30		FDEDRO
C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC[N@@H+]1C	ZINC000331280552	819673276	/nfs/dbraw/zinc/67/32/76/819673276.db2.gz	FIAFJTVGWXYQSL-PBHICJAKSA-N	1	0	374.485	1.846	20	30		FDEDRO
CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	ZINC000331287230	819673409	/nfs/dbraw/zinc/67/34/09/819673409.db2.gz	YWSJFOOKXWUKFR-INIZCTEOSA-N	1	0	367.538	1.259	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1C(=O)Cc3ccccc31)C2	ZINC001112536144	819704570	/nfs/dbraw/zinc/70/45/70/819704570.db2.gz	SPXMHUXMZBZYBG-AVRDEDQJSA-N	1	0	365.477	1.817	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC000983826725	819728051	/nfs/dbraw/zinc/72/80/51/819728051.db2.gz	JDJFJSJGWRPRBU-TXCZRRACSA-N	1	0	371.485	1.583	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N(CC[NH+](C)C)C1CCCC1	ZINC000190375068	819941590	/nfs/dbraw/zinc/94/15/90/819941590.db2.gz	GXXXDJVKHVSERY-UHFFFAOYSA-N	1	0	357.454	1.970	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C3CC3)C[C@@H]2O)[nH]1	ZINC001083413255	820008572	/nfs/dbraw/zinc/00/85/72/820008572.db2.gz	GEHJJAZRDPUERG-MOPGFXCFSA-N	1	0	350.422	1.739	20	30		FDEDRO
COc1cccc(CCC[N@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)c1	ZINC001083413553	820019309	/nfs/dbraw/zinc/01/93/09/820019309.db2.gz	URAFVVPUSGPXRN-MOPGFXCFSA-N	1	0	368.437	1.303	20	30		FDEDRO
C[C@H](c1ccc2c(c1)CCC2)[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1	ZINC001083413628	820023983	/nfs/dbraw/zinc/02/39/83/820023983.db2.gz	XJUFMVHCPOOCKP-GBLZOACLSA-N	1	0	364.449	1.911	20	30		FDEDRO
C#CC1CC[NH+](Cc2cn(CC(=O)OCC)nc2-c2cnn(C)c2)CC1	ZINC000895084762	820109091	/nfs/dbraw/zinc/10/90/91/820109091.db2.gz	HTPLZEJLLUXKGG-UHFFFAOYSA-N	1	0	355.442	1.692	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc4cccnc43)C[C@@H]2O)[nH]1	ZINC001083414168	820152428	/nfs/dbraw/zinc/15/24/28/820152428.db2.gz	PJZLOGJJTRIHGU-MSOLQXFVSA-N	1	0	361.405	1.410	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)cn1	ZINC000983953815	820284302	/nfs/dbraw/zinc/28/43/02/820284302.db2.gz	OUFKUBVISHFHOD-AYBZRNKSSA-N	1	0	368.481	1.372	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O	ZINC000520766299	820656346	/nfs/dbraw/zinc/65/63/46/820656346.db2.gz	RMKHMQZMWALKBD-AEFFLSMTSA-N	1	0	372.469	1.418	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]21	ZINC001075804914	820712426	/nfs/dbraw/zinc/71/24/26/820712426.db2.gz	GKGJOMGBJSUMLA-MLHJIOFPSA-N	1	0	361.486	1.123	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C[C@@H]1CCc2ncnn21	ZINC001087535344	820922816	/nfs/dbraw/zinc/92/28/16/820922816.db2.gz	FIXRHVUQHAOQNX-OFQRWUPVSA-N	1	0	353.430	1.248	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1	ZINC000441989215	821014595	/nfs/dbraw/zinc/01/45/95/821014595.db2.gz	VMEAMSPWDQXQQW-HNNXBMFYSA-N	1	0	371.441	1.286	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1C1CCC([NH2+][C@H]2CCCN(O)C2=O)CC1	ZINC000895159765	821213265	/nfs/dbraw/zinc/21/32/65/821213265.db2.gz	HZSMCWCLJLHIBR-ZUEPYMLJSA-N	1	0	357.410	1.564	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2COCCN2C)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087547277	821284616	/nfs/dbraw/zinc/28/46/16/821284616.db2.gz	BQLOBGBKTJHXEQ-OTWHNJEPSA-N	1	0	356.470	1.358	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2C[C@H](C(=O)NCCOC)CC[C@H]2C)CC1	ZINC000521601136	821302423	/nfs/dbraw/zinc/30/24/23/821302423.db2.gz	RYDBEACAPKJMMA-HZPDHXFCSA-N	1	0	366.506	1.210	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)CC1	ZINC000521601137	821302722	/nfs/dbraw/zinc/30/27/22/821302722.db2.gz	RYDBEACAPKJMMA-JKSUJKDBSA-N	1	0	366.506	1.210	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1CCn1nc(C)nc1C	ZINC001087548880	821303315	/nfs/dbraw/zinc/30/33/15/821303315.db2.gz	TVNJNCJYVZWJPA-DLBZAZTESA-N	1	0	355.446	1.378	20	30		FDEDRO
Cn1cc(C[NH2+][C@@H]2CCCN(O)C2=O)c(-c2ccc3c(c2)OCCCO3)n1	ZINC000895167214	821323537	/nfs/dbraw/zinc/32/35/37/821323537.db2.gz	XFINAPKQEVALCQ-OAHLLOKOSA-N	1	0	372.425	1.718	20	30		FDEDRO
C=CCOc1ccccc1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000521853830	821368576	/nfs/dbraw/zinc/36/85/76/821368576.db2.gz	HPBKFAYUFFPJFD-UHFFFAOYSA-N	1	0	359.470	1.924	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3c(C)ccn3C)[C@H]2CC)C1=O	ZINC001087555275	821433094	/nfs/dbraw/zinc/43/30/94/821433094.db2.gz	XQATZUXQMIBHRS-BBWFWOEESA-N	1	0	358.486	1.703	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)Cc2ccnn2C)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087556593	821447622	/nfs/dbraw/zinc/44/76/22/821447622.db2.gz	UXTAZFXABWFWKQ-VQTJNVASSA-N	1	0	350.466	1.983	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cnn(CC)n2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087564129	821510841	/nfs/dbraw/zinc/51/08/41/821510841.db2.gz	JSFNSZGFAKBFNF-FUHWJXTLSA-N	1	0	352.442	1.953	20	30		FDEDRO
N#Cc1cc(NCCC[N@H+]2CCC[C@@H]2C(N)=O)nc2ccc([N+](=O)[O-])cc12	ZINC000443450245	821549821	/nfs/dbraw/zinc/54/98/21/821549821.db2.gz	VGFZGGQBVXHJSH-MRXNPFEDSA-N	1	0	368.397	1.766	20	30		FDEDRO
C[C@@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)[C@H]1CCS(=O)(=O)C1	ZINC000895186841	821582890	/nfs/dbraw/zinc/58/28/90/821582890.db2.gz	CMEITBQXVMFGDS-QAPCUYQASA-N	1	0	361.511	1.935	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H]2CCCC[C@H]2C(N)=O)cc1	ZINC000445775489	828364048	/nfs/dbraw/zinc/36/40/48/828364048.db2.gz	QUZCFTOULUCBHM-MSOLQXFVSA-N	1	0	372.469	1.966	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCNC2=O)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087609406	821726519	/nfs/dbraw/zinc/72/65/19/821726519.db2.gz	LANLWZJQRGPKTE-FGTMMUONSA-N	1	0	354.454	1.554	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087635269	821853387	/nfs/dbraw/zinc/85/33/87/821853387.db2.gz	SBFXSNQUWQMGLW-CEXWTWQISA-N	1	0	353.466	1.533	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1C(F)(F)F	ZINC001112167197	822210274	/nfs/dbraw/zinc/21/02/74/822210274.db2.gz	IATVUIZRDQJBMU-ZIAGYGMSSA-N	1	0	359.396	1.693	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087729707	822262349	/nfs/dbraw/zinc/26/23/49/822262349.db2.gz	RRMIIGYVSBRANL-OSRSDYAFSA-N	1	0	374.510	1.990	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](C[C@H]2CCOC2)[C@@H]1CC	ZINC001087802164	822462048	/nfs/dbraw/zinc/46/20/48/822462048.db2.gz	ALAMHTRSCZKGKH-BPQIPLTHSA-N	1	0	357.454	1.713	20	30		FDEDRO
Cc1cccc(CCC[N@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)c1	ZINC001083418104	822540410	/nfs/dbraw/zinc/54/04/10/822540410.db2.gz	SBOWXSIZBSUJKY-MOPGFXCFSA-N	1	0	352.438	1.603	20	30		FDEDRO
CN1CCN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC[N@H+](C)CC1	ZINC000895410239	822587299	/nfs/dbraw/zinc/58/72/99/822587299.db2.gz	PHHCKRYNOXTXBM-IBGZPJMESA-N	1	0	355.486	1.824	20	30		FDEDRO
CN(CC(=O)N(CCC#N)CCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000474233070	822652809	/nfs/dbraw/zinc/65/28/09/822652809.db2.gz	XXLWVRVYFOQYMM-LJQANCHMSA-N	1	0	353.470	1.849	20	30		FDEDRO
N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1	ZINC000895598451	822664086	/nfs/dbraw/zinc/66/40/86/822664086.db2.gz	FLVFSQGQUCTGDP-MOPGFXCFSA-N	1	0	372.444	1.255	20	30		FDEDRO
C#CC[NH+]1CCC(Nc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	ZINC000895804129	822753092	/nfs/dbraw/zinc/75/30/92/822753092.db2.gz	OAECWSLCIHRYBV-UHFFFAOYSA-N	1	0	372.425	1.577	20	30		FDEDRO
N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCC(=O)N4)C[C@@H]3C2)c1	ZINC001087910294	823760645	/nfs/dbraw/zinc/76/06/45/823760645.db2.gz	YRZSHRKJMHGZQG-UWWQBHOKSA-N	1	0	370.428	1.256	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)c3ccccc3)CC[C@@H]2C1	ZINC001087911296	823771573	/nfs/dbraw/zinc/77/15/73/823771573.db2.gz	QAVIYBYQMIZNJL-ZACQAIPSSA-N	1	0	354.454	1.589	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(=O)[nH]c(C4CC4)n3)CC[C@@H]2C1	ZINC001087912154	823781812	/nfs/dbraw/zinc/78/18/12/823781812.db2.gz	ZUFBCBCZUPUELK-YUELXQCFSA-N	1	0	355.442	1.500	20	30		FDEDRO
Cc1c(C(=O)N2C[C@@H]3C[N@@H+](CC#Cc4ccccc4)CC[C@@H]3C2)nnn1C	ZINC001087918521	823893309	/nfs/dbraw/zinc/89/33/09/823893309.db2.gz	ZUVATCUEYQBHJA-MOPGFXCFSA-N	1	0	363.465	1.569	20	30		FDEDRO
CCn1cc(CC[N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]3C2)cn1	ZINC001087938617	824017669	/nfs/dbraw/zinc/01/76/69/824017669.db2.gz	COCHSMDCGAJXRB-SJORKVTESA-N	1	0	366.469	1.739	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCCc2ccc(C)cc2)C[C@H]1NC(=O)CSCC#N	ZINC001211886170	824043968	/nfs/dbraw/zinc/04/39/68/824043968.db2.gz	DMXNFXZHUMBFSB-QZTJIDSGSA-N	1	0	361.511	2.000	20	30		FDEDRO
Cn1nccc1CC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)CC[C@@H]2C1	ZINC001087948861	824083224	/nfs/dbraw/zinc/08/32/24/824083224.db2.gz	YTQJWQRTOKQWKJ-MOPGFXCFSA-N	1	0	363.465	1.815	20	30		FDEDRO
Cn1nccc1CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)CC[C@@H]2C1	ZINC001087949381	824086165	/nfs/dbraw/zinc/08/61/65/824086165.db2.gz	YIYKTOUYYQFMQC-MOPGFXCFSA-N	1	0	363.465	1.815	20	30		FDEDRO
C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1	ZINC001087961997	824183018	/nfs/dbraw/zinc/18/30/18/824183018.db2.gz	SWYZSEIERQBXEI-SXLOBPIMSA-N	1	0	371.525	1.971	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)s4)CC[C@@H]3C2)[nH]1	ZINC001087960082	824190771	/nfs/dbraw/zinc/19/07/71/824190771.db2.gz	COWHKXOFTDUHCU-KGLIPLIRSA-N	1	0	370.482	1.569	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)C[C@@H]2C1	ZINC001087964236	824216356	/nfs/dbraw/zinc/21/63/56/824216356.db2.gz	CWPIVFGEXSEKHF-IKGGRYGDSA-N	1	0	371.485	1.509	20	30		FDEDRO
N#C[C@H]1CN(C(=O)C2C[NH+](C3CCOCC3)C2)CCN1Cc1ccccc1	ZINC000896362704	824362108	/nfs/dbraw/zinc/36/21/08/824362108.db2.gz	LLDPQDZUNNEVQL-FQEVSTJZSA-N	1	0	368.481	1.334	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)N3CCO[C@](C)(C#N)C3)cc2)CC1	ZINC000896444853	824418011	/nfs/dbraw/zinc/41/80/11/824418011.db2.gz	OSJRTEKINBAHBO-LJQANCHMSA-N	1	0	357.458	1.262	20	30		FDEDRO
COCCC(=O)N1CCC(NC(=O)N2CCCC23CC[NH+](C)CC3)CC1	ZINC000329075264	824559604	/nfs/dbraw/zinc/55/96/04/824559604.db2.gz	PORIJXWZEMIFAB-UHFFFAOYSA-N	1	0	366.506	1.488	20	30		FDEDRO
CC(C)OCC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)CC1	ZINC000329086759	824569775	/nfs/dbraw/zinc/56/97/75/824569775.db2.gz	UVKIRRFYJFXGJG-CVEARBPZSA-N	1	0	367.494	1.092	20	30		FDEDRO
CO[C@H]1C[C@@H](C(N)=O)N(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1	ZINC000329097286	824580748	/nfs/dbraw/zinc/58/07/48/824580748.db2.gz	YMQZKHSISQWLLN-FZKCQIBNSA-N	1	0	368.478	1.293	20	30		FDEDRO
CC1CC[NH+](CC(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)CC1	ZINC000329096781	824580862	/nfs/dbraw/zinc/58/08/62/824580862.db2.gz	YFVKVHXYGQEKFZ-DNVCBOLYSA-N	1	0	359.474	1.913	20	30		FDEDRO
O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)NC[C@@H]1COCCO1	ZINC000329124966	824611950	/nfs/dbraw/zinc/61/19/50/824611950.db2.gz	XUEGKDGLHONFGY-GOSISDBHSA-N	1	0	363.458	1.062	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cn2ccc(C)cc2=O)C[C@H]1C(F)(F)F	ZINC001112172809	824646608	/nfs/dbraw/zinc/64/66/08/824646608.db2.gz	XGFKRKKCHXQKAK-ZIAGYGMSSA-N	1	0	357.376	1.712	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cncn3-c3ccccc3)CC2)C1=O	ZINC000329190741	824659628	/nfs/dbraw/zinc/65/96/28/824659628.db2.gz	RDYXGPHJVGBICE-QGZVFWFLSA-N	1	0	367.453	1.872	20	30		FDEDRO
Cc1nn(C)c(C)c1CCC(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1	ZINC000329200792	824664745	/nfs/dbraw/zinc/66/47/45/824664745.db2.gz	WKOVTOCUZCZETC-KRWDZBQOSA-N	1	0	361.490	1.621	20	30		FDEDRO
C[C@H](CNC(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1)C[NH+]1CCCC1	ZINC000329203180	824665298	/nfs/dbraw/zinc/66/52/98/824665298.db2.gz	CNZQZKJZXYTOLW-IAGOWNOFSA-N	1	0	365.522	1.902	20	30		FDEDRO
Cn1cnnc1[C@@H]1CCCN1C(=O)NC1CC[NH+](Cc2ccncc2)CC1	ZINC000329206275	824666211	/nfs/dbraw/zinc/66/62/11/824666211.db2.gz	XKTDVLBJLXAMES-KRWDZBQOSA-N	1	0	369.473	1.926	20	30		FDEDRO
O=C(NC1CC[NH+](C2CC2)CC1)N[C@@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000329222807	824677633	/nfs/dbraw/zinc/67/76/33/824677633.db2.gz	WZBYBEVVHWXMCT-MRXNPFEDSA-N	1	0	363.506	1.797	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)C[N@@H+]1CCC[C@H]1C	ZINC000984742526	824677966	/nfs/dbraw/zinc/67/79/66/824677966.db2.gz	JOCMFIANESREOM-UKPHBRMFSA-N	1	0	357.458	1.480	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)C[NH+]1CCC(C)CC1	ZINC000984743801	824683213	/nfs/dbraw/zinc/68/32/13/824683213.db2.gz	UDAYMBRUMRGNDG-FUHWJXTLSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1	ZINC000985644768	828678696	/nfs/dbraw/zinc/67/86/96/828678696.db2.gz	DWVDKOBZGBZFBX-MSOLQXFVSA-N	1	0	363.502	1.655	20	30		FDEDRO
Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1	ZINC000329250677	824695928	/nfs/dbraw/zinc/69/59/28/824695928.db2.gz	XSUJIVQMIZTTFY-IKGGRYGDSA-N	1	0	361.490	1.828	20	30		FDEDRO
O=C(CNC(=O)NCc1ccc(F)cc1)N1CC[C@H]([NH+]2CCCCC2)C1	ZINC000329261542	824701238	/nfs/dbraw/zinc/70/12/38/824701238.db2.gz	DYLMGHUIEWHVAM-KRWDZBQOSA-N	1	0	362.449	1.916	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCC(=O)N2CCc3ccccc3C2)C1	ZINC000329263964	824702752	/nfs/dbraw/zinc/70/27/52/824702752.db2.gz	DPTXTQWORZWDPY-RBUKOAKNSA-N	1	0	370.497	1.901	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(OC)nn2)C1	ZINC001029847546	828685213	/nfs/dbraw/zinc/68/52/13/828685213.db2.gz	UZKDOVWVPJHYDL-UAGQMJEPSA-N	1	0	360.458	1.357	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccn2c(O)nnc12	ZINC000329359630	824754167	/nfs/dbraw/zinc/75/41/67/824754167.db2.gz	XPBBHVYPEKQSFX-CABCVRRESA-N	1	0	359.430	1.507	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2C2CCOCC2)CC1	ZINC000329429524	824782517	/nfs/dbraw/zinc/78/25/17/824782517.db2.gz	HWVPWZLVLHROGW-OALUTQOASA-N	1	0	362.518	1.570	20	30		FDEDRO
C#CC1(O)CN(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCOCC2)C1	ZINC000896680466	824802882	/nfs/dbraw/zinc/80/28/82/824802882.db2.gz	OVHGNRTTWHMWDU-UHFFFAOYSA-N	1	0	357.454	1.057	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cc(F)cc4nccnc43)CC2)C1=O	ZINC000329470775	824820667	/nfs/dbraw/zinc/82/06/67/824820667.db2.gz	YMFBILYPXCZOJR-MRXNPFEDSA-N	1	0	371.416	1.769	20	30		FDEDRO
[NH2+]=C(NCCNC(=O)c1ccco1)N1CCN(c2ccc(F)cc2)CC1	ZINC000262296528	824897721	/nfs/dbraw/zinc/89/77/21/824897721.db2.gz	NLBAYYSSCVMJLM-UHFFFAOYSA-N	1	0	359.405	1.285	20	30		FDEDRO
Cc1cnn([C@@H]2CCN(C(=O)NCC3([NH+]4CCCC4)CCOCC3)C2)c1	ZINC000329618012	825004243	/nfs/dbraw/zinc/00/42/43/825004243.db2.gz	QGRHEULXVAEMCK-QGZVFWFLSA-N	1	0	361.490	1.997	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc3c(c2)nnn3C)C1	ZINC000984825051	825030529	/nfs/dbraw/zinc/03/05/29/825030529.db2.gz	SUQRNKLVDYSJRS-NNFUDEMPSA-N	1	0	369.469	1.544	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnnn2C(C)(C)C)C1	ZINC000984826215	825032818	/nfs/dbraw/zinc/03/28/18/825032818.db2.gz	NZUWANQLHQBJMW-TUVASFSCSA-N	1	0	362.478	1.004	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3c3ncccn3)C[C@@H]2C1	ZINC001087999918	825056721	/nfs/dbraw/zinc/05/67/21/825056721.db2.gz	HRFNPUXNTMFRSE-FGTMMUONSA-N	1	0	355.486	1.802	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC000984871758	825192993	/nfs/dbraw/zinc/19/29/93/825192993.db2.gz	QUHAFCWWFJQSAH-JQHSSLGASA-N	1	0	371.485	1.868	20	30		FDEDRO
CN1CCN(CC(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1=O	ZINC000329660756	825255662	/nfs/dbraw/zinc/25/56/62/825255662.db2.gz	OGSCUQOJKUMANY-GOSISDBHSA-N	1	0	358.486	1.772	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C)nn2CCC#N)[C@@H](C)C1	ZINC000525901844	828758944	/nfs/dbraw/zinc/75/89/44/828758944.db2.gz	RMZMFAQOWRMPQY-DZGCQCFKSA-N	1	0	360.462	1.232	20	30		FDEDRO
O=C(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)N1CC[N@@H+]2CCC[C@H]2C1	ZINC000329708661	825346304	/nfs/dbraw/zinc/34/63/04/825346304.db2.gz	MNFYEMUGFUXFQO-ZNMIVQPWSA-N	1	0	361.446	1.861	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CCN(Cc2cc(C)on2)CC1	ZINC000262335854	825357000	/nfs/dbraw/zinc/35/70/00/825357000.db2.gz	BTZYSYOIUSXFIC-BBWFWOEESA-N	1	0	361.490	1.490	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3sccc3-n3cnnn3)C[C@@H]2C1	ZINC001088026317	825403483	/nfs/dbraw/zinc/40/34/83/825403483.db2.gz	CJTAIDCGUAYZLD-KGLIPLIRSA-N	1	0	358.471	1.694	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)C1	ZINC000329731600	825406656	/nfs/dbraw/zinc/40/66/56/825406656.db2.gz	IIISKMBYUDMODA-JLOCXQCDSA-N	1	0	364.490	1.983	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000984920147	825465726	/nfs/dbraw/zinc/46/57/26/825465726.db2.gz	KBRVSTWPALNOIY-SOLBZPMBSA-N	1	0	369.469	1.337	20	30		FDEDRO
CN1CC[NH+](CC2(C)CCN(C([O-])=[NH+][C@@H]3CCc4c[nH]nc4C3)CC2)CC1	ZINC000329853287	825503921	/nfs/dbraw/zinc/50/39/21/825503921.db2.gz	RYPHQXQCCRXTBT-QGZVFWFLSA-N	1	0	374.533	1.531	20	30		FDEDRO
CO[C@@H]1CN([C@@H](C)c2ccc(F)cc2)C[C@H]1NC(=O)CSCC#N	ZINC001211888774	825517977	/nfs/dbraw/zinc/51/79/77/825517977.db2.gz	OAXCILXLFSXURQ-APHBMKBZSA-N	1	0	351.447	1.959	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@H](Nc3nc(C#N)c(Cl)s3)C2)O1	ZINC001059461731	825524551	/nfs/dbraw/zinc/52/45/51/825524551.db2.gz	XSRVMDDVEUNTFX-DNRKLUKYSA-N	1	0	369.878	1.446	20	30		FDEDRO
COCc1nc2n(n1)CCC[C@@H]2NC(=O)NC1CC[NH+](CC2CC2)CC1	ZINC000329977579	825573853	/nfs/dbraw/zinc/57/38/53/825573853.db2.gz	GGIYNMITVIGBBH-HNNXBMFYSA-N	1	0	362.478	1.637	20	30		FDEDRO
CC(=O)N1CC[C@H](NC(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)C1	ZINC000329981828	825577620	/nfs/dbraw/zinc/57/76/20/825577620.db2.gz	OAEVKBYRCNHUPF-KXBFYZLASA-N	1	0	374.485	1.532	20	30		FDEDRO
CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1	ZINC000330045985	825609430	/nfs/dbraw/zinc/60/94/30/825609430.db2.gz	ILFLIISTGOKDEX-UNEWFSDZSA-N	1	0	362.478	1.768	20	30		FDEDRO
C[C@H](CNC(=O)c1cn([C@H]2CCOC2)nn1)[N@@H+]1CCc2ccccc2C1	ZINC000330071420	825620571	/nfs/dbraw/zinc/62/05/71/825620571.db2.gz	YBVYTFCPJORYAS-PBHICJAKSA-N	1	0	355.442	1.991	20	30		FDEDRO
Cn1cnc2c(c1=O)CCN(C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)C2	ZINC000330113949	825648480	/nfs/dbraw/zinc/64/84/80/825648480.db2.gz	SLUQXPHBEZRNLF-WMZOPIPTSA-N	1	0	367.453	1.498	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@@H](c2cccc(O)c2)C1	ZINC000330152880	825683623	/nfs/dbraw/zinc/68/36/23/825683623.db2.gz	MHUGCDWFSULUHK-SJLPKXTDSA-N	1	0	363.458	1.790	20	30		FDEDRO
CC(C)(C)N1C[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1=O	ZINC000330218469	825737833	/nfs/dbraw/zinc/73/78/33/825737833.db2.gz	JKNBZGIHBWAZTA-OAGGEKHMSA-N	1	0	366.506	1.267	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1=O	ZINC000281273786	825924604	/nfs/dbraw/zinc/92/46/04/825924604.db2.gz	IDLOKMOQLYTVKY-MSOLQXFVSA-N	1	0	358.486	1.124	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCOC2(CCOCC2)C1	ZINC000330311372	825894020	/nfs/dbraw/zinc/89/40/20/825894020.db2.gz	NVGPNCINIGPMNT-SJORKVTESA-N	1	0	367.490	1.160	20	30		FDEDRO
Cn1cncc1[C@@H]1C[C@H](NC(=O)NCCN2CCOCC2(C)C)CCO1	ZINC000330318141	825901659	/nfs/dbraw/zinc/90/16/59/825901659.db2.gz	CEGDQLQIGDGMMR-ZBFHGGJFSA-N	1	0	365.478	1.255	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1	ZINC000330323178	825915515	/nfs/dbraw/zinc/91/55/15/825915515.db2.gz	SVQMKNVYYWCXFL-GPMSIDNRSA-N	1	0	367.490	1.424	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)N1CCN(c2ncccn2)CC1	ZINC000262371034	826150146	/nfs/dbraw/zinc/15/01/46/826150146.db2.gz	IOSKEELHSCOKDA-ARFHVFGLSA-N	1	0	358.490	1.378	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccsc2)[C@@H]1CC	ZINC000985047817	826232453	/nfs/dbraw/zinc/23/24/53/826232453.db2.gz	RPUYXMVSXPEFQU-BBWFWOEESA-N	1	0	359.495	1.955	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ncoc2C)[C@@H]1CC	ZINC000985047816	826232609	/nfs/dbraw/zinc/23/26/09/826232609.db2.gz	RPNDXAGECQTQLE-XHSDSOJGSA-N	1	0	358.442	1.190	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000985086352	826313657	/nfs/dbraw/zinc/31/36/57/826313657.db2.gz	FSRAJRDBKLSMKS-UAGQMJEPSA-N	1	0	357.458	1.480	20	30		FDEDRO
O=C(Cc1cnc[nH]1)N1C[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)CC[C@@H]2C1	ZINC001088121044	826498260	/nfs/dbraw/zinc/49/82/60/826498260.db2.gz	LNZMUVKUKSQSEG-MSOLQXFVSA-N	1	0	366.440	1.923	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CCN1C(=O)C#CC1CC1	ZINC000985152300	826605379	/nfs/dbraw/zinc/60/53/79/826605379.db2.gz	PIUHLZPTOGWJEH-NLWGTHIKSA-N	1	0	357.498	1.770	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccc(I)cn2)CC1	ZINC000928649448	826742685	/nfs/dbraw/zinc/74/26/85/826742685.db2.gz	MBXORKQZPIHGKX-UHFFFAOYSA-N	1	0	369.206	1.514	20	30		FDEDRO
N#CCCCOc1cccc(C[NH+]2CCC3(CC2)C[C@H](O)CNC3=O)c1	ZINC000897039874	826821146	/nfs/dbraw/zinc/82/11/46/826821146.db2.gz	DBGVUQBYOCXCQF-KRWDZBQOSA-N	1	0	357.454	1.832	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2CC)cn1	ZINC000985211036	826935477	/nfs/dbraw/zinc/93/54/77/826935477.db2.gz	OZAIHZZVNIKTNG-ZWKOTPCHSA-N	1	0	366.465	1.268	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2(C)CCOCC2)C[C@H]1C(F)(F)F	ZINC001112179179	827174065	/nfs/dbraw/zinc/17/40/65/827174065.db2.gz	ZPGNVUYNKBBCOG-ZIAGYGMSSA-N	1	0	362.392	1.432	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2nccnc2C#N)CC[N@@H+]1C	ZINC001059515596	827184846	/nfs/dbraw/zinc/18/48/46/827184846.db2.gz	HYGRWUVUSBRZGW-JTTVYXJLSA-N	1	0	368.485	1.695	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2ccc(C#N)cn2)CC[N@@H+]1C	ZINC001059515621	827185177	/nfs/dbraw/zinc/18/51/77/827185177.db2.gz	JUXZMRWYLAGUFQ-POGJWJPPSA-N	1	0	353.470	1.909	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2CC)c1	ZINC000985434376	827815820	/nfs/dbraw/zinc/81/58/20/827815820.db2.gz	QUYUNIFOQOYBPZ-ZWKOTPCHSA-N	1	0	366.465	1.268	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2CC)c1	ZINC000985435359	827817667	/nfs/dbraw/zinc/81/76/67/827817667.db2.gz	ZMSMDQYYOLCXPE-NZSAHSFTSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2CC)c1	ZINC000985435362	827817807	/nfs/dbraw/zinc/81/78/07/827817807.db2.gz	ZMSMDQYYOLCXPE-YTQUADARSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2CC)c1	ZINC000985435405	827818153	/nfs/dbraw/zinc/81/81/53/827818153.db2.gz	JQNLUDSEFVFDBD-DQEVTTJGSA-N	1	0	368.481	1.512	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC2)C1=O	ZINC000985486283	827989338	/nfs/dbraw/zinc/98/93/38/827989338.db2.gz	ZAONHZGHOQKTEE-JFIYKMOQSA-N	1	0	371.485	1.223	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C	ZINC000523240963	828154612	/nfs/dbraw/zinc/15/46/12/828154612.db2.gz	QXRKQBOWXALLEL-WBVHZDCISA-N	1	0	372.469	1.384	20	30		FDEDRO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(CC[NH+](C)C)CC1	ZINC000523703287	828255252	/nfs/dbraw/zinc/25/52/52/828255252.db2.gz	ATSINUPQPXRWDU-LJQANCHMSA-N	1	0	358.486	1.667	20	30		FDEDRO
N#Cc1ccc(NCC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc1	ZINC000526940685	828906174	/nfs/dbraw/zinc/90/61/74/828906174.db2.gz	HRWYHURCTSEWAD-KDURUIRLSA-N	1	0	361.449	1.956	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+][C@H](C(N)=O)c1ccc(F)cc1	ZINC001168101111	829226336	/nfs/dbraw/zinc/22/63/36/829226336.db2.gz	MRYBLGCTUDYCAW-ULQDDVLXSA-N	1	0	363.433	1.429	20	30		FDEDRO
COCC[N@H+](C)CCOc1cccc(CNC(=O)c2ccc(C#N)n2C)c1	ZINC000448889623	829296261	/nfs/dbraw/zinc/29/62/61/829296261.db2.gz	BPDWOMLRYBQXKZ-UHFFFAOYSA-N	1	0	370.453	1.784	20	30		FDEDRO
C[C@@H]1C[C@]1(C#N)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000448935149	829312173	/nfs/dbraw/zinc/31/21/73/829312173.db2.gz	GSAUUSDJUQYYRH-WIBUTAKZSA-N	1	0	354.454	1.550	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1	ZINC000528424074	829404070	/nfs/dbraw/zinc/40/40/70/829404070.db2.gz	WRVDDGUMTYYYGX-QXAKKESOSA-N	1	0	369.465	1.773	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(Oc2cnccn2)CC1	ZINC000528480903	829420015	/nfs/dbraw/zinc/42/00/15/829420015.db2.gz	LJVITLVWOUHZRK-INIZCTEOSA-N	1	0	354.410	1.631	20	30		FDEDRO
C[N@@H+]1CC[C@]2(C1)CCCN(CC#CCN1C(=O)c3ccccc3C1=O)C2	ZINC000528519781	829435825	/nfs/dbraw/zinc/43/58/25/829435825.db2.gz	WCDMFDQKBZILNX-NRFANRHFSA-N	1	0	351.450	1.704	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C2(C(=O)NC)CCC2)C[C@H]1C(F)(F)F	ZINC001112197134	829505774	/nfs/dbraw/zinc/50/57/74/829505774.db2.gz	AJPBFKCYYZDSQC-CHWSQXEVSA-N	1	0	361.408	1.848	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH+]1CCC(Cc2nc(C3CCOCC3)no2)CC1	ZINC000528715736	829531954	/nfs/dbraw/zinc/53/19/54/829531954.db2.gz	OXWBZURPHYWCRS-AWEZNQCLSA-N	1	0	362.474	1.909	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NCCC(C)C	ZINC001168109759	829535088	/nfs/dbraw/zinc/53/50/88/829535088.db2.gz	GZVUQDPDFJECHF-IKGGRYGDSA-N	1	0	353.507	1.614	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)N1CCC(C)CC1	ZINC001168110430	829554426	/nfs/dbraw/zinc/55/44/26/829554426.db2.gz	UFLAXZOADPGDQQ-SQNIBIBYSA-N	1	0	365.518	1.711	20	30		FDEDRO
Cn1cc(N2CCN(C(NCCc3ccco3)=[NH+]C3CC3)CC2=O)cn1	ZINC000262637776	829589939	/nfs/dbraw/zinc/58/99/39/829589939.db2.gz	GPIRFPIZPQMZIE-UHFFFAOYSA-N	1	0	356.430	1.012	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCc2ccc(-n3ccnc3)nc2)cc1OC	ZINC000303774607	830296860	/nfs/dbraw/zinc/29/68/60/830296860.db2.gz	GCDKXGCFYOXHEQ-UHFFFAOYSA-N	1	0	366.425	1.889	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc[n+]([O-])cc2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088455952	830390311	/nfs/dbraw/zinc/39/03/11/830390311.db2.gz	RDPCCGGJERGALT-BEFAXECRSA-N	1	0	366.421	1.615	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](NC(=O)N(C)C)C1	ZINC000451994044	830495252	/nfs/dbraw/zinc/49/52/52/830495252.db2.gz	NOYCAVYALOXXFS-ZWKOTPCHSA-N	1	0	361.486	1.890	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)CN2CC[N@H+](CCO)C[C@H]2C)c(OC)c1	ZINC000452120009	830534310	/nfs/dbraw/zinc/53/43/10/830534310.db2.gz	QUMFOAIUQDKTJO-AEFFLSMTSA-N	1	0	364.486	1.162	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cnn(C)c2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088463802	830608350	/nfs/dbraw/zinc/60/83/50/830608350.db2.gz	QFMFWHFOBUNPBS-KDOFPFPSSA-N	1	0	353.426	1.715	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)Cn2cccn2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088469772	830754304	/nfs/dbraw/zinc/75/43/04/830754304.db2.gz	ALSSSEUBFAJTKZ-QAPCUYQASA-N	1	0	353.426	1.565	20	30		FDEDRO
C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc(CC#N)c1	ZINC000453606595	830965731	/nfs/dbraw/zinc/96/57/31/830965731.db2.gz	FGWOKUWDWSFBMK-LJQANCHMSA-N	1	0	364.449	1.980	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c1	ZINC000453681657	831017328	/nfs/dbraw/zinc/01/73/28/831017328.db2.gz	WDMCUGGDVDWHGF-KRWDZBQOSA-N	1	0	358.442	1.014	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]2C1	ZINC000986248927	831363317	/nfs/dbraw/zinc/36/33/17/831363317.db2.gz	LQFLVHAFSBFVNA-LZQZEXGQSA-N	1	0	368.481	1.828	20	30		FDEDRO
CN(C(=O)[C@@H](O)c1ccc(C#N)cc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000780941847	831871035	/nfs/dbraw/zinc/87/10/35/831871035.db2.gz	WGJGFVSLIWNGLV-MOPGFXCFSA-N	1	0	356.470	1.219	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1	ZINC001059729660	831960983	/nfs/dbraw/zinc/96/09/83/831960983.db2.gz	ZBJMOPGDODWWEA-ZACQAIPSSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@@H+](C)[C@H]2CCCN(C)C2=O)CC1	ZINC001029998157	832343741	/nfs/dbraw/zinc/34/37/41/832343741.db2.gz	NCQPKUZGKRIBMC-SQNIBIBYSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC[C@@H](C)O)C1	ZINC001112215537	832369475	/nfs/dbraw/zinc/36/94/75/832369475.db2.gz	FYASBZMCZHQKSE-MGPQQGTHSA-N	1	0	352.397	1.719	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)NC(=O)C2CCC2)C[C@H]1C(F)(F)F	ZINC001112220126	832491403	/nfs/dbraw/zinc/49/14/03/832491403.db2.gz	NDVJMHAYSBJXKF-MRVWCRGKSA-N	1	0	359.392	1.293	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(CC)C3=O)C[C@H]21	ZINC001075885272	832518390	/nfs/dbraw/zinc/51/83/90/832518390.db2.gz	OONRWZDRJLXDHR-CGTJXYLNSA-N	1	0	356.470	1.441	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]21	ZINC001075885500	832541579	/nfs/dbraw/zinc/54/15/79/832541579.db2.gz	ZVBJDFQLGCVFSW-FUHWJXTLSA-N	1	0	356.470	1.443	20	30		FDEDRO
[NH2+]=C(NCc1ccnc(C(F)(F)F)c1)N1CCN(c2ncccn2)CC1	ZINC000263181520	832629151	/nfs/dbraw/zinc/62/91/51/832629151.db2.gz	UIBGCZSUFRAPDG-UHFFFAOYSA-N	1	0	365.363	1.527	20	30		FDEDRO
CCn1nncc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)[C@@H]1C	ZINC001088550433	832723663	/nfs/dbraw/zinc/72/36/63/832723663.db2.gz	ARJLNDIXZFYWPZ-PBHICJAKSA-N	1	0	368.441	1.593	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H](C)n3cccc3)[C@H]2C)CC1	ZINC000987609721	833478776	/nfs/dbraw/zinc/47/87/76/833478776.db2.gz	AZOGIELBACJKEB-LMMKCTJWSA-N	1	0	370.497	1.500	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@@H]1C	ZINC000988861062	837678042	/nfs/dbraw/zinc/67/80/42/837678042.db2.gz	MUKRGMWURJSKHM-UWWQBHOKSA-N	1	0	371.485	1.726	20	30		FDEDRO
CC(C)[C@H](C(=O)OCc1cc(=O)n2ncc(C#N)c2[nH]1)[NH+]1CCCCC1	ZINC000783781551	833628951	/nfs/dbraw/zinc/62/89/51/833628951.db2.gz	YIYXMQWMASYWFD-MRXNPFEDSA-N	1	0	357.414	1.860	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000987918884	833782786	/nfs/dbraw/zinc/78/27/86/833782786.db2.gz	HFGVAKNGTPNOTP-UWWQBHOKSA-N	1	0	371.485	1.537	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000987928754	833795417	/nfs/dbraw/zinc/79/54/17/833795417.db2.gz	XESSAVUSJZVMFO-IIAWOOMASA-N	1	0	357.458	1.147	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1C	ZINC000987975308	833853133	/nfs/dbraw/zinc/85/31/33/833853133.db2.gz	LUTCGQBHSZHJQN-UKPHBRMFSA-N	1	0	357.458	1.478	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C	ZINC000988090692	834020783	/nfs/dbraw/zinc/02/07/83/834020783.db2.gz	JSPXLCQWVJGFNF-MNEFBYGVSA-N	1	0	353.466	1.268	20	30		FDEDRO
C=CC(C)(C)CC(=O)NCC[C@H]1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1	ZINC001059857464	834144297	/nfs/dbraw/zinc/14/42/97/834144297.db2.gz	CDZWBAQDAOEUSJ-IXDOHACOSA-N	1	0	365.518	1.663	20	30		FDEDRO
[NH2+]=C(NCc1cccc(N2CCOCC2)n1)N[C@@H]1CCOc2ccccc21	ZINC000262546016	837749654	/nfs/dbraw/zinc/74/96/54/837749654.db2.gz	SBUZUDIXTSVLJP-QGZVFWFLSA-N	1	0	367.453	1.846	20	30		FDEDRO
C=CCC1(CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCCC1	ZINC000453986037	834251703	/nfs/dbraw/zinc/25/17/03/834251703.db2.gz	JMKBOFJHJLMYDB-UHFFFAOYSA-N	1	0	373.501	2.341	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C)cn1	ZINC000988325148	834378492	/nfs/dbraw/zinc/37/84/92/834378492.db2.gz	ZUILOVOGGWJEKS-DTDBQYNISA-N	1	0	354.454	1.122	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)NCC[N@H+]3CC[C@@H](C)C3)CC2)c1C#N	ZINC000897456361	834686040	/nfs/dbraw/zinc/68/60/40/834686040.db2.gz	DFVDAPFIWMULSF-CYBMUJFWSA-N	1	0	362.503	1.497	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1	ZINC000163411951	834942480	/nfs/dbraw/zinc/94/24/80/834942480.db2.gz	KZGBQJYIVPEZDP-CQSZACIVSA-N	1	0	360.389	1.267	20	30		FDEDRO
COCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2c(C#N)cccc2[N+](=O)[O-])C1	ZINC000459318544	834969842	/nfs/dbraw/zinc/96/98/42/834969842.db2.gz	COAVXHXSUXPGPD-HIFRSBDPSA-N	1	0	360.414	1.830	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nc1	ZINC000841700957	834986248	/nfs/dbraw/zinc/98/62/48/834986248.db2.gz	PCONCJLPKNJWGT-DLBZAZTESA-N	1	0	356.474	1.786	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3nccs3)[C@@H]2C)CC1	ZINC000988508133	835664143	/nfs/dbraw/zinc/66/41/43/835664143.db2.gz	ZRKYSDPLIIZCDC-HIFRSBDPSA-N	1	0	360.483	1.208	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3CC)[C@H]2C)c1	ZINC000988513287	835701705	/nfs/dbraw/zinc/70/17/05/835701705.db2.gz	DVCNLYNLBAWDRY-MNEFBYGVSA-N	1	0	368.481	1.657	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)NC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1	ZINC000455396147	836034808	/nfs/dbraw/zinc/03/48/08/836034808.db2.gz	CYLVUWGOOUGDDL-LJQANCHMSA-N	1	0	374.485	1.846	20	30		FDEDRO
CNC(=O)C[C@@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000455468529	836069654	/nfs/dbraw/zinc/06/96/54/836069654.db2.gz	RBIYDCJQYJQJSJ-OAHLLOKOSA-N	1	0	357.458	1.300	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCCNC4=O)[C@@H]3C2)cc1	ZINC001075912234	836148936	/nfs/dbraw/zinc/14/89/36/836148936.db2.gz	QGURJCFMJARMBJ-OKZBNKHCSA-N	1	0	352.438	1.117	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1CN(CC(=O)N(C)Cc2ccccc2)C[C@H]1OC	ZINC001211999642	836172177	/nfs/dbraw/zinc/17/21/77/836172177.db2.gz	SGRHRLLRZNIXDX-QZTJIDSGSA-N	1	0	359.470	1.427	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1CN(Cc2ccc(OCC#N)cc2)C[C@H]1OC	ZINC001212030025	836339353	/nfs/dbraw/zinc/33/93/53/836339353.db2.gz	QEWPGETUDYAJES-QZTJIDSGSA-N	1	0	359.426	1.107	20	30		FDEDRO
CO[C@@H]1C[N@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1NC(=O)[C@H](C)C#N	ZINC001212041179	836353525	/nfs/dbraw/zinc/35/35/25/836353525.db2.gz	HHOKEQQHUDDCLR-ZTFGCOKTSA-N	1	0	353.426	1.347	20	30		FDEDRO
CO[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1NC(=O)[C@H](C)C#N	ZINC001212045716	836376424	/nfs/dbraw/zinc/37/64/24/836376424.db2.gz	VNZHTYYZEFBBPS-ZTFGCOKTSA-N	1	0	353.426	1.347	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cnn3cccnc23)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088787478	844177484	/nfs/dbraw/zinc/17/74/84/844177484.db2.gz	LQZOVCPBUMUFJW-KDOFPFPSSA-N	1	0	360.421	1.994	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1(C)C)N1CC[C@H](C)[C@@H](n2ccnc2)C1	ZINC000179227389	836766979	/nfs/dbraw/zinc/76/69/79/836766979.db2.gz	WBBBWTIHOVJXFD-IRXDYDNUSA-N	1	0	362.522	1.452	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(CC)on3)[C@H]2C(C)C)C[C@H]1O	ZINC001105669334	844208228	/nfs/dbraw/zinc/20/82/28/844208228.db2.gz	QWXPLHRRRYEAHD-FTEYMNFISA-N	1	0	359.470	1.840	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccnn2C(C)C)[C@@H]1C	ZINC000988738363	836943491	/nfs/dbraw/zinc/94/34/91/836943491.db2.gz	NKDVKUDFGAHVEI-IKGGRYGDSA-N	1	0	371.485	1.281	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1	ZINC000938021535	836975575	/nfs/dbraw/zinc/97/55/75/836975575.db2.gz	KCWGJAGCOOVXIO-QAETUUGQSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1	ZINC000938029568	836995591	/nfs/dbraw/zinc/99/55/91/836995591.db2.gz	FJEMMOHNIQQXTM-LNLFQRSKSA-N	1	0	363.502	1.417	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCCOc2ccccc2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC001212081095	837088531	/nfs/dbraw/zinc/08/85/31/837088531.db2.gz	HEQMXDZILNRIRU-RTBURBONSA-N	1	0	368.437	1.784	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](OCC)C2CC2)C[C@H]1OC	ZINC001212092703	837106725	/nfs/dbraw/zinc/10/67/25/837106725.db2.gz	NJIUZKCDYCNYJF-FGTMMUONSA-N	1	0	354.491	1.600	20	30		FDEDRO
N#CCSCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC[C@@H]2CCOC2)C1	ZINC001112264447	844294959	/nfs/dbraw/zinc/29/49/59/844294959.db2.gz	IXVVCQMGKCOOJX-RYRKJORJSA-N	1	0	351.516	1.888	20	30		FDEDRO
CCN(CC)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CSCC#N)C2	ZINC001112264650	844295824	/nfs/dbraw/zinc/29/58/24/844295824.db2.gz	MVJKLTBQDHFUPM-YJBOKZPZSA-N	1	0	366.531	1.330	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC000989065898	838263441	/nfs/dbraw/zinc/26/34/41/838263441.db2.gz	ZLVFRQQXTUUSNY-WBMJQRKESA-N	1	0	366.425	1.380	20	30		FDEDRO
[NH3+][C@H](CNC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1)C1CC1	ZINC000667442135	844313928	/nfs/dbraw/zinc/31/39/28/844313928.db2.gz	QHXVGYLUNTWPOM-QGZVFWFLSA-N	1	0	353.447	1.940	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc3c(cc2C)OCO3)CC1	ZINC000272966170	838439128	/nfs/dbraw/zinc/43/91/28/838439128.db2.gz	WRMUEADKLDUYCV-UHFFFAOYSA-N	1	0	359.426	1.819	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)[C@@H]1C	ZINC001088623876	838510708	/nfs/dbraw/zinc/51/07/08/838510708.db2.gz	ZQFUAFLGTMEEGS-WBVHZDCISA-N	1	0	354.454	1.766	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3ccnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105669942	844338025	/nfs/dbraw/zinc/33/80/25/844338025.db2.gz	WSDXTCRWVYOHOP-JYBIWHBTSA-N	1	0	358.486	1.181	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC000989233311	838801950	/nfs/dbraw/zinc/80/19/50/838801950.db2.gz	VWALYGHYXLTTGT-HIFRSBDPSA-N	1	0	357.458	1.480	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C[NH2+]C2(C(N)=O)C3CC4CC(C3)CC2C4)c1	ZINC000459765156	838941356	/nfs/dbraw/zinc/94/13/56/838941356.db2.gz	DDJMODZWDNWIKM-UHFFFAOYSA-N	1	0	366.465	1.444	20	30		FDEDRO
CCN(C(=O)C(=O)N1CCC(C#N)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000459903463	839094961	/nfs/dbraw/zinc/09/49/61/839094961.db2.gz	KEDBTUHOIAIGBE-IBGZPJMESA-N	1	0	368.481	1.872	20	30		FDEDRO
CC(C)(C)N1CC[C@H]1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000897556361	839481586	/nfs/dbraw/zinc/48/15/86/839481586.db2.gz	NNASDSGKGMQMSV-IRXDYDNUSA-N	1	0	354.454	1.648	20	30		FDEDRO
CC(C)(C)N1CC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000897556359	839481603	/nfs/dbraw/zinc/48/16/03/839481603.db2.gz	NNASDSGKGMQMSV-DLBZAZTESA-N	1	0	354.454	1.648	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Cn3cccn3)o2)c1C#N	ZINC000760305802	839771115	/nfs/dbraw/zinc/77/11/15/839771115.db2.gz	DWHSUSMGWBUMAQ-UHFFFAOYSA-N	1	0	353.386	1.523	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cccn2Cc2ccncc2)c1C#N	ZINC000760306237	839779688	/nfs/dbraw/zinc/77/96/88/839779688.db2.gz	BPDRLGDCJHIYJA-UHFFFAOYSA-N	1	0	363.425	1.930	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3ccnc(C)c3)[C@H]2C)CC1	ZINC000989411319	839992295	/nfs/dbraw/zinc/99/22/95/839992295.db2.gz	CDBUIRLJXRSKIZ-APWZRJJASA-N	1	0	368.481	1.454	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC001059975626	840066934	/nfs/dbraw/zinc/06/69/34/840066934.db2.gz	FWMCQXYDMIJKEQ-ZACQAIPSSA-N	1	0	361.486	1.028	20	30		FDEDRO
CC[C@H](C(=O)N1CC[C@H]2CN(Cc3cc(C#N)ccc3OC)C[C@H]21)[NH+](C)C	ZINC001075940387	840068545	/nfs/dbraw/zinc/06/85/45/840068545.db2.gz	MHZLKIJJPFJGKF-QXAKKESOSA-N	1	0	370.497	1.940	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3=COCCO3)[C@H]2C(C)C)C[C@H]1O	ZINC001105589854	840117504	/nfs/dbraw/zinc/11/75/04/840117504.db2.gz	GHVGSOLBJIEHLT-HBXLWWENSA-N	1	0	364.486	1.807	20	30		FDEDRO
C#CCN(C(=O)NCC[NH2+]C1CCCCCC1)[C@H]1CCS(=O)(=O)C1	ZINC000841963460	840242944	/nfs/dbraw/zinc/24/29/44/840242944.db2.gz	SSKJNUAEXDQSLL-INIZCTEOSA-N	1	0	355.504	1.131	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1	ZINC000898124368	840795901	/nfs/dbraw/zinc/79/59/01/840795901.db2.gz	LTDWXFCTLNOFID-HNNXBMFYSA-N	1	0	357.454	1.679	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COC3CCCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105600109	840983656	/nfs/dbraw/zinc/98/36/56/840983656.db2.gz	AYMDKFDXKBOYKP-VURPSTOHSA-N	1	0	362.514	1.935	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN(C)C(C)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105601352	841031242	/nfs/dbraw/zinc/03/12/42/841031242.db2.gz	WVLRIPWAOTVKGG-JYBIWHBTSA-N	1	0	365.518	1.397	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cn([C@@H]2CCOC2)nn1	ZINC000479909162	844602752	/nfs/dbraw/zinc/60/27/52/844602752.db2.gz	CLMUMVOJHNUOHJ-QGZVFWFLSA-N	1	0	368.441	1.315	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C3CC4(C3)CS(=O)(=O)C4)[C@@H]2C1	ZINC001075944469	841164190	/nfs/dbraw/zinc/16/41/90/841164190.db2.gz	BSEZNNOEHAABBF-GOEBONIOSA-N	1	0	352.500	1.310	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C)c1	ZINC000989808142	841511771	/nfs/dbraw/zinc/51/17/71/841511771.db2.gz	RSPGMLGJAWFIIS-APWZRJJASA-N	1	0	368.481	1.658	20	30		FDEDRO
C=CCOCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=C)Cl)C2)[C@H]1C(C)C	ZINC001105610250	841593389	/nfs/dbraw/zinc/59/33/89/841593389.db2.gz	JJKZRBBEPZAION-AHCXZYCDSA-N	1	0	356.894	1.908	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)CN2CCCCC2=O)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088698594	841723175	/nfs/dbraw/zinc/72/31/75/841723175.db2.gz	YPLCDLJDFCLGPR-QAPCUYQASA-N	1	0	354.454	1.650	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)[C@H]2C)cn1	ZINC000990001801	841782174	/nfs/dbraw/zinc/78/21/74/841782174.db2.gz	OAMOKYPVTDVFJW-DAYGRLMNSA-N	1	0	354.454	1.124	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)[C@H]2C)cc1	ZINC000990005713	841801370	/nfs/dbraw/zinc/80/13/70/841801370.db2.gz	ORVLAZCUQFLARK-FCEWJHQRSA-N	1	0	353.466	1.729	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105611241	841839151	/nfs/dbraw/zinc/83/91/51/841839151.db2.gz	PCUAWWXPOVVYCD-IZBJGVDFSA-N	1	0	368.518	1.582	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)CN2CCCNC2=O)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088701598	841885829	/nfs/dbraw/zinc/88/58/29/841885829.db2.gz	AQOVCSGVTLIYAO-PBHICJAKSA-N	1	0	355.442	1.053	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccsc1)C2	ZINC001112247306	841917767	/nfs/dbraw/zinc/91/77/67/841917767.db2.gz	GSXAXEFZWKPLQV-QOKNQOGYSA-N	1	0	359.495	1.718	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nnn(C)c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105612254	841997982	/nfs/dbraw/zinc/99/79/82/841997982.db2.gz	YWRABCRHKADGHM-IIHSZXCVSA-N	1	0	361.490	1.279	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105614427	842228082	/nfs/dbraw/zinc/22/80/82/842228082.db2.gz	HEIOFPVGEIZNGS-XSYGEPLQSA-N	1	0	354.454	1.489	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(F)nc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105615001	842228721	/nfs/dbraw/zinc/22/87/21/842228721.db2.gz	NERUUWSJMHUFQO-CIWUYKSXSA-N	1	0	359.445	1.824	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc[nH]c(=O)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619613	842238424	/nfs/dbraw/zinc/23/84/24/842238424.db2.gz	OKCQULFZXQRFMF-CIWUYKSXSA-N	1	0	357.454	1.390	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nn(C)cc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105626957	842258500	/nfs/dbraw/zinc/25/85/00/842258500.db2.gz	JUUVKTJWEDTRNL-CIWUYKSXSA-N	1	0	358.486	1.332	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C)nn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105628201	842261552	/nfs/dbraw/zinc/26/15/52/842261552.db2.gz	SOQKLBUTUCFFKI-MLYOOKFZSA-N	1	0	358.486	1.941	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(COC)CCCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105636846	842268655	/nfs/dbraw/zinc/26/86/55/842268655.db2.gz	FKLGLANEGCLLKZ-DCXXXQMHSA-N	1	0	362.514	1.793	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC=C(C)C)C2)[C@H]1C(C)C	ZINC001105632692	842280487	/nfs/dbraw/zinc/28/04/87/842280487.db2.gz	NFURYJFGWCJSFC-VURPSTOHSA-N	1	0	362.514	1.959	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@@H]1C(C)C	ZINC001105633060	842281270	/nfs/dbraw/zinc/28/12/70/842281270.db2.gz	PQOQNCNVRTYEEN-ZTRFORPCSA-N	1	0	363.502	1.206	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(F)CCOCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105633587	842282421	/nfs/dbraw/zinc/28/24/21/842282421.db2.gz	VPPBUYNIJDXBGA-VXNCWWDNSA-N	1	0	366.477	1.495	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@@H]1C(C)C	ZINC001105646645	842408910	/nfs/dbraw/zinc/40/89/10/842408910.db2.gz	KTKQFLHEAXKEQF-RMVXJAJNSA-N	1	0	364.530	1.919	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NCC)C2)[C@H]1C(C)C	ZINC001105648595	842410353	/nfs/dbraw/zinc/41/03/53/842410353.db2.gz	ZJOPMFIKYOFKNA-YVTWGWGSSA-N	1	0	365.518	1.301	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc(C)n3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105651735	842444273	/nfs/dbraw/zinc/44/42/73/842444273.db2.gz	IYDLJVGHDFBHDN-LBKNJMOBSA-N	1	0	360.502	1.884	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@H]2C(C)C)C[C@H]1O	ZINC001105651729	842444846	/nfs/dbraw/zinc/44/48/46/842444846.db2.gz	IUVIKVPBZDOLHP-YSCDGHNMSA-N	1	0	362.514	1.811	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc(C)n3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105653732	842464675	/nfs/dbraw/zinc/46/46/75/842464675.db2.gz	ZMFXVYVVHDYQHO-PHXBYCTMSA-N	1	0	358.486	1.332	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3conc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105655066	842482016	/nfs/dbraw/zinc/48/20/16/842482016.db2.gz	DZRZUMYWDFOLCW-SOAMZJECSA-N	1	0	359.470	1.840	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C)c(=O)[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105656803	842488482	/nfs/dbraw/zinc/48/84/82/842488482.db2.gz	UAGYIIKCRHVTBB-ZIGSKRJUSA-N	1	0	362.474	1.282	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(CF)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105657731	842495031	/nfs/dbraw/zinc/49/50/31/842495031.db2.gz	APRVQSFXHOZJTP-WOCWXWTJSA-N	1	0	368.493	1.905	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3nccc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105657589	842495172	/nfs/dbraw/zinc/49/51/72/842495172.db2.gz	ZIMGEMCGZOTMCP-IZBJGVDFSA-N	1	0	358.486	1.181	20	30		FDEDRO
C=CC[C@@H]1N(C(=O)C(=O)NC2CC[NH+](CCOC)CC2)CCCC1(C)C	ZINC000477613301	842674165	/nfs/dbraw/zinc/67/41/65/842674165.db2.gz	GTRXVMQSHHRXCA-KRWDZBQOSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(=O)N(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105661828	842742083	/nfs/dbraw/zinc/74/20/83/842742083.db2.gz	LDYOOWDEPVGWEK-OHDICMOHSA-N	1	0	351.491	1.007	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(=O)N(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105661827	842742364	/nfs/dbraw/zinc/74/23/64/842742364.db2.gz	LDYOOWDEPVGWEK-LTDCPUDJSA-N	1	0	351.491	1.007	20	30		FDEDRO
CN1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)CC1=O	ZINC001075959916	842836195	/nfs/dbraw/zinc/83/61/95/842836195.db2.gz	RDWODTOZPNSFGD-GBESFXJTSA-N	1	0	366.465	1.459	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc(C)nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105664449	842904782	/nfs/dbraw/zinc/90/47/82/842904782.db2.gz	YIYOZNDDVYZULC-XCJLJZCSSA-N	1	0	370.497	1.696	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3coc(S(N)(=O)=O)c3)[C@@H]2C1	ZINC001075963087	842925358	/nfs/dbraw/zinc/92/53/58/842925358.db2.gz	ZUFPGJPULLIKTA-GXTWGEPZSA-N	1	0	353.444	1.040	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCCCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105665992	843051535	/nfs/dbraw/zinc/05/15/35/843051535.db2.gz	BYDWOXQYPSQXGP-LFGUQSLTSA-N	1	0	368.518	1.582	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCOCCCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105666106	843075006	/nfs/dbraw/zinc/07/50/06/843075006.db2.gz	CVBADZUQRMPWJM-LFGUQSLTSA-N	1	0	366.502	1.029	20	30		FDEDRO
Cn1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)ccc1=O	ZINC001075984509	843243223	/nfs/dbraw/zinc/24/32/23/843243223.db2.gz	GCOPTZHGHBWJFF-PKOBYXMFSA-N	1	0	362.433	1.603	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc(OC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105667005	843437718	/nfs/dbraw/zinc/43/77/18/843437718.db2.gz	MPROSTHTYWTZCE-REHHDOPLSA-N	1	0	371.481	1.693	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCC(=O)N(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667048	843461494	/nfs/dbraw/zinc/46/14/94/843461494.db2.gz	NDAJMHVBQQQXES-SMOSDQRPSA-N	1	0	365.518	1.397	20	30		FDEDRO
O=C(NCC[NH2+]C1CC1)C(=O)Nc1cccc(C#Cc2cccs2)c1	ZINC000667294269	843572906	/nfs/dbraw/zinc/57/29/06/843572906.db2.gz	FCHSRTXTPWPUIE-UHFFFAOYSA-N	1	0	353.447	1.955	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncccc3OC)[C@H]2C(C)C)C[C@H]1O	ZINC001105667464	843623482	/nfs/dbraw/zinc/62/34/82/843623482.db2.gz	BKUVXALUZCKLHL-DCTVWTRXSA-N	1	0	371.481	1.693	20	30		FDEDRO
CC(C)(CNC(=O)N1CCN(c2cccc(C#N)n2)CC1)C[NH+]1CCCC1	ZINC000478413055	843750698	/nfs/dbraw/zinc/75/06/98/843750698.db2.gz	BYPRSBLHANBKQX-UHFFFAOYSA-N	1	0	370.501	1.907	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(C(CC)CC)C2)[C@@H](O)C1	ZINC001083503784	844865324	/nfs/dbraw/zinc/86/53/24/844865324.db2.gz	BYEMSYBJEBOHPJ-OIISXLGYSA-N	1	0	351.491	1.151	20	30		FDEDRO
Cc1nc[nH]c(=O)c1C(=O)N[C@H]1CCN(Cc2ccccc2C#N)[C@@H]1C	ZINC001088807962	844879500	/nfs/dbraw/zinc/87/95/00/844879500.db2.gz	IJUNNDYJQNJZOB-CJNGLKHVSA-N	1	0	351.410	1.755	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC[N@@H+]1CCC(C)(C)C1	ZINC000898594433	844906640	/nfs/dbraw/zinc/90/66/40/844906640.db2.gz	NQSIIDLYDMJZAF-HNNXBMFYSA-N	1	0	371.489	1.300	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@@H]1O	ZINC001083505498	844921722	/nfs/dbraw/zinc/92/17/22/844921722.db2.gz	QJTHFMQSTVZGTM-ZACQAIPSSA-N	1	0	362.499	1.155	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@@H]1O	ZINC001083505116	844931424	/nfs/dbraw/zinc/93/14/24/844931424.db2.gz	AUGDEDAKSHIQOV-QRVBRYPASA-N	1	0	356.470	1.094	20	30		FDEDRO
CN1CCN(C(=O)c2cc(NC(=O)NCC(C)(C)CCC#N)ccn2)CC1	ZINC000480650240	845573776	/nfs/dbraw/zinc/57/37/76/845573776.db2.gz	ODHYTCNWCJWVOK-UHFFFAOYSA-N	1	0	372.473	1.921	20	30		FDEDRO
C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCC2(C#N)CCC2)CC1	ZINC000842222985	845745411	/nfs/dbraw/zinc/74/54/11/845745411.db2.gz	ZTVVSIFXJYXWSI-UHFFFAOYSA-N	1	0	355.442	1.187	20	30		FDEDRO
N#Cc1ccc(C2(NC(=O)C3C[NH+](C4CCOCC4)C3)CCOCC2)cc1	ZINC000913162647	861607157	/nfs/dbraw/zinc/60/71/57/861607157.db2.gz	PCMAIXJCYATVGK-UHFFFAOYSA-N	1	0	369.465	1.791	20	30		FDEDRO
C[C@@]1(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCNC(=O)C1	ZINC000899214468	845949881	/nfs/dbraw/zinc/94/98/81/845949881.db2.gz	WOOQMSFESTUFQV-HXUWFJFHSA-N	1	0	354.454	1.555	20	30		FDEDRO
CCO[C@@H](CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=N)C[NH+](C)C	ZINC000899237510	845983264	/nfs/dbraw/zinc/98/32/64/845983264.db2.gz	ZZIRFOQLHZLLOG-CQSZACIVSA-N	1	0	371.485	1.613	20	30		FDEDRO
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(CC[NH+](C)C)CC1	ZINC000842317848	846593395	/nfs/dbraw/zinc/59/33/95/846593395.db2.gz	IUJSKUULFLUHAQ-UHFFFAOYSA-N	1	0	355.442	1.570	20	30		FDEDRO
C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000899809647	846725142	/nfs/dbraw/zinc/72/51/42/846725142.db2.gz	BFKWFJHISFAURM-OAHLLOKOSA-N	1	0	363.421	1.420	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CCCCCC2)C[C@@H]1O	ZINC001083535716	846923041	/nfs/dbraw/zinc/92/30/41/846923041.db2.gz	HTBATFKTAMULOV-AABGKKOBSA-N	1	0	361.530	1.606	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccccc2CC)C[C@@H]1O	ZINC001083535912	846923947	/nfs/dbraw/zinc/92/39/47/846923947.db2.gz	SXQLVNZKWDANOF-HKBOAZHASA-N	1	0	369.509	1.050	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(CCC)n[nH]4)[C@@H]3C2)C1=O	ZINC001076113524	847322567	/nfs/dbraw/zinc/32/25/67/847322567.db2.gz	BHTIRGBMNOAGAC-BMGDILEWSA-N	1	0	371.485	1.295	20	30		FDEDRO
Cn1c(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)c[nH]c1=O	ZINC001076131769	847372480	/nfs/dbraw/zinc/37/24/80/847372480.db2.gz	ILWRQUCYXFQZHL-DOTOQJQBSA-N	1	0	351.410	1.344	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N3C[C@]4(C)C[NH+](C)C[C@@]4(C)C3)CC2)o1	ZINC000913281376	861793620	/nfs/dbraw/zinc/79/36/20/861793620.db2.gz	PHMAVKGZNSAWOD-PMACEKPBSA-N	1	0	371.485	1.871	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCn3nc(C)cc3C)C[C@H]21	ZINC001076263760	847721471	/nfs/dbraw/zinc/72/14/71/847721471.db2.gz	UIGQHTFMZUDOOC-MANSERQUSA-N	1	0	358.486	1.624	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)(F)F	ZINC000913336066	861893315	/nfs/dbraw/zinc/89/33/15/861893315.db2.gz	DDVMYPBRRTUTKA-XGUBFFRZSA-N	1	0	373.419	1.752	20	30		FDEDRO
C[NH+](C)C1(C)CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1	ZINC000913399115	861958775	/nfs/dbraw/zinc/95/87/75/861958775.db2.gz	SJLYTVGPOOFSPB-UHFFFAOYSA-N	1	0	363.483	1.416	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc4ncccc4c3)C[C@H]2O)[nH]1	ZINC001076898536	849283360	/nfs/dbraw/zinc/28/33/60/849283360.db2.gz	NYIHYPDLYVHLLN-RTBURBONSA-N	1	0	361.405	1.410	20	30		FDEDRO
CC(C)c1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)cc1	ZINC001076898548	849283615	/nfs/dbraw/zinc/28/36/15/849283615.db2.gz	OKSQGGNCOPBJLB-RTBURBONSA-N	1	0	352.438	1.985	20	30		FDEDRO
[NH2+]=C(NCC1(CO)CCOCC1)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000160770944	849323187	/nfs/dbraw/zinc/32/31/87/849323187.db2.gz	KCYGUWPSUKPEGR-UHFFFAOYSA-N	1	0	366.893	1.566	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1	ZINC000483152630	849337180	/nfs/dbraw/zinc/33/71/80/849337180.db2.gz	DNOIIHIJCBDLTK-AEFFLSMTSA-N	1	0	359.470	1.647	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccc(CC)cc2)C[C@H]1O	ZINC001077018617	849551980	/nfs/dbraw/zinc/55/19/80/849551980.db2.gz	XVRHSBVOCRDVBP-NCYKPQTJSA-N	1	0	372.509	1.934	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1O	ZINC001077132535	849862870	/nfs/dbraw/zinc/86/28/70/849862870.db2.gz	XZQCIIQRLUIRSW-VAMGGRTRSA-N	1	0	370.497	1.482	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@@H]2O)cc1	ZINC001083577684	850913941	/nfs/dbraw/zinc/91/39/41/850913941.db2.gz	DITNCMBATWNIRU-QRQLOZEOSA-N	1	0	360.454	1.595	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1	ZINC000904295975	851083539	/nfs/dbraw/zinc/08/35/39/851083539.db2.gz	ZDKVYJZZWRDRDH-VNQPRFMTSA-N	1	0	364.471	1.508	20	30		FDEDRO
COC[C@H]1C[NH2+]CCN1C(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F	ZINC000904537754	851282299	/nfs/dbraw/zinc/28/22/99/851282299.db2.gz	JFOOBGIQRPIMPN-ZIAGYGMSSA-N	1	0	356.348	1.791	20	30		FDEDRO
C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC1	ZINC000904578053	851289542	/nfs/dbraw/zinc/28/95/42/851289542.db2.gz	VOSTYKXFPDRGRI-UHFFFAOYSA-N	1	0	359.474	1.332	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1	ZINC000668419743	851352165	/nfs/dbraw/zinc/35/21/65/851352165.db2.gz	KXBJKRMLHAOPNQ-ZWKOTPCHSA-N	1	0	350.507	1.086	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1	ZINC000904967006	851524968	/nfs/dbraw/zinc/52/49/68/851524968.db2.gz	UGVBUILRCQRPRV-PWSUYJOCSA-N	1	0	374.388	1.174	20	30		FDEDRO
N#Cc1ncc(C(F)(F)F)cc1-n1cc(CN2CCC([NH3+])CC2)nn1	ZINC000905057106	851642566	/nfs/dbraw/zinc/64/25/66/851642566.db2.gz	NVAXRKSDAUJCMQ-UHFFFAOYSA-N	1	0	351.336	1.476	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([NH2+]C[C@H](O)CC3(CO)CCCC3)C2=O)cc1	ZINC000905199871	851743473	/nfs/dbraw/zinc/74/34/73/851743473.db2.gz	CCQQHLZNZQSSJQ-RTBURBONSA-N	1	0	371.481	1.947	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([NH2+]C[C@@H](O)CCC3(O)CCC3)C2=O)cc1	ZINC000905202885	851745958	/nfs/dbraw/zinc/74/59/58/851745958.db2.gz	ORJUXQYTGXUVEI-ZWKOTPCHSA-N	1	0	357.454	1.699	20	30		FDEDRO
CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)NCC#CC[NH+](C)C	ZINC000913515305	862295249	/nfs/dbraw/zinc/29/52/49/862295249.db2.gz	RANHGPOZCCZYPP-QGZVFWFLSA-N	1	0	361.511	1.528	20	30		FDEDRO
COc1nn(C)c2nc(C)c(CCC(=O)NCC#CC[NH+](C)C)c(C)c12	ZINC000913517180	862301591	/nfs/dbraw/zinc/30/15/91/862301591.db2.gz	WHJGXKKOZKDHSF-UHFFFAOYSA-N	1	0	357.458	1.208	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21	ZINC000913518873	862303218	/nfs/dbraw/zinc/30/32/18/862303218.db2.gz	DRWQPQJHMSJCTH-UHFFFAOYSA-N	1	0	362.227	1.998	20	30		FDEDRO
C#CCN1CCC[C@H]([NH2+]CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1	ZINC000905461218	851962901	/nfs/dbraw/zinc/96/29/01/851962901.db2.gz	PJJXWBHJQWHTDK-GNZRSQJKSA-N	1	0	350.503	1.937	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CC[C@@H](O)[C@@H](O)CC2)c(OC)c1	ZINC000905465018	851964535	/nfs/dbraw/zinc/96/45/35/851964535.db2.gz	JLWWSBBNLLYUMH-FJIDUMEYSA-N	1	0	365.470	1.417	20	30		FDEDRO
COc1ccc([C@H]2[C@H](C(=O)NCC#CC[NH+](C)C)CCC(=O)N2C)cc1	ZINC000913519285	862304855	/nfs/dbraw/zinc/30/48/55/862304855.db2.gz	USMMZWMDNHPGDY-MJGOQNOKSA-N	1	0	357.454	1.286	20	30		FDEDRO
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH2+]C[C@@H](O)CN(C)CCC#N	ZINC000905509892	851983306	/nfs/dbraw/zinc/98/33/06/851983306.db2.gz	SNJGWXRMLOFFBJ-BZUAXINKSA-N	1	0	354.495	1.285	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[NH2+]CCN2Cc3ccccc3OCC2=O)cc1	ZINC000905518086	852010549	/nfs/dbraw/zinc/01/05/49/852010549.db2.gz	VZFSNVCPIWDFRN-GOSISDBHSA-N	1	0	351.406	1.602	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCN2CC(F)(F)F)cc1	ZINC000905564779	852038838	/nfs/dbraw/zinc/03/88/38/852038838.db2.gz	NIGSVHFCWKYCDC-CABCVRRESA-N	1	0	357.376	1.914	20	30		FDEDRO
Cn1cc([C@@]2(C[NH2+]C[C@H](O)COc3ccccc3C#N)CCCO2)cn1	ZINC000905685355	852176314	/nfs/dbraw/zinc/17/63/14/852176314.db2.gz	HBDXNJCFIRDKTD-HKUYNNGSSA-N	1	0	356.426	1.327	20	30		FDEDRO
COc1ncc(NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)cc1C#N	ZINC000906146642	852646332	/nfs/dbraw/zinc/64/63/32/852646332.db2.gz	BTMZMWFJBANVRB-HZPDHXFCSA-N	1	0	354.414	1.369	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CC2CC(NC(=O)OC(C)(C)C)C2)CC1	ZINC000906605427	853075796	/nfs/dbraw/zinc/07/57/96/853075796.db2.gz	VTLACSMMPYENLS-UHFFFAOYSA-N	1	0	350.463	1.784	20	30		FDEDRO
C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2c(C#N)sc3ccccc32)C1	ZINC000907119922	853828612	/nfs/dbraw/zinc/82/86/12/853828612.db2.gz	RQTLVEAIMCCZSH-OAHLLOKOSA-N	1	0	351.453	1.118	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)C1C[NH+](C2CCOCC2)C1	ZINC000907340773	854059204	/nfs/dbraw/zinc/05/92/04/854059204.db2.gz	LPGBQUIIUWAQHC-UHFFFAOYSA-N	1	0	359.426	1.633	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NC2CC[NH+](C3CCOCC3)CC2)c(C#N)c1	ZINC000907328316	854082709	/nfs/dbraw/zinc/08/27/09/854082709.db2.gz	GHMNTZBNRZQSOV-UHFFFAOYSA-N	1	0	363.483	1.788	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNS(=O)(=O)c3ccc(C#N)cn3)cc2)CC1	ZINC000907392318	854138634	/nfs/dbraw/zinc/13/86/34/854138634.db2.gz	DCLFXYNZVSHTRE-UHFFFAOYSA-N	1	0	371.466	1.184	20	30		FDEDRO
C[C@H](C(=O)NCCCC[NH+]1CCN(CCO)CC1)c1cccc(C#N)c1	ZINC000486772865	855371821	/nfs/dbraw/zinc/37/18/21/855371821.db2.gz	VNRJFLZXKDAIIY-KRWDZBQOSA-N	1	0	358.486	1.168	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1nscc1I	ZINC000908435137	855420199	/nfs/dbraw/zinc/42/01/99/855420199.db2.gz	DMYOBZMBTNRMOZ-UHFFFAOYSA-N	1	0	363.224	1.433	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1	ZINC000668714867	855721668	/nfs/dbraw/zinc/72/16/68/855721668.db2.gz	GCGARZQHWORBRU-HXUWFJFHSA-N	1	0	373.497	1.730	20	30		FDEDRO
C=CCn1c(-c2ncon2)nnc1N1CC[NH+](Cc2ccccc2)CC1	ZINC000908731504	855726005	/nfs/dbraw/zinc/72/60/05/855726005.db2.gz	TXHXYKCTTMILOI-UHFFFAOYSA-N	1	0	351.414	1.836	20	30		FDEDRO
C=CCCC[NH+]1CC(OC2CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)CC2)C1	ZINC001105724639	862715671	/nfs/dbraw/zinc/71/56/71/862715671.db2.gz	MCSIMLJQYPUKPG-MSOLQXFVSA-N	1	0	363.502	1.369	20	30		FDEDRO
CCCCCCC[NH+]1CC(OC2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1	ZINC001105724505	862725926	/nfs/dbraw/zinc/72/59/26/862725926.db2.gz	GRIZGGVGORPPLI-MSOLQXFVSA-N	1	0	365.518	1.770	20	30		FDEDRO
C#CCCCc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CCOC	ZINC000909196454	856287685	/nfs/dbraw/zinc/28/76/85/856287685.db2.gz	NYELDWLMJJKMMH-UHFFFAOYSA-N	1	0	361.490	1.181	20	30		FDEDRO
C#CCCCc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CCOC	ZINC000909197643	856289215	/nfs/dbraw/zinc/28/92/15/856289215.db2.gz	XIPURZWPCUHIKJ-QGZVFWFLSA-N	1	0	361.490	1.039	20	30		FDEDRO
C=C(C)Cn1c(CC)nnc1N1CCC(C(N)=O)([NH+]2CCCCC2)CC1	ZINC000909259421	856359240	/nfs/dbraw/zinc/35/92/40/856359240.db2.gz	LRKPELYYQKOQDS-UHFFFAOYSA-N	1	0	360.506	1.727	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1	ZINC000910581056	857345280	/nfs/dbraw/zinc/34/52/80/857345280.db2.gz	QGLKXKLRDCOMNB-HNNXBMFYSA-N	1	0	360.483	1.665	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2CCC2)C[C@H]1C[NH2+]CC(=O)NCC#Cc1ccccc1	ZINC001105748621	862903018	/nfs/dbraw/zinc/90/30/18/862903018.db2.gz	ZLKWDXGHFPKJNS-YLJYHZDGSA-N	1	0	367.493	1.639	20	30		FDEDRO
C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N(C)Cc1cc(C#N)cs1	ZINC000910603873	857400693	/nfs/dbraw/zinc/40/06/93/857400693.db2.gz	WGUCERBMQGXMCL-CYBMUJFWSA-N	1	0	362.499	1.767	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)Cc2cc(C#N)cs2)[C@@H](C)C1	ZINC000910665552	857482014	/nfs/dbraw/zinc/48/20/14/857482014.db2.gz	SCSGBDFSBKSWHW-BBRMVZONSA-N	1	0	362.499	1.767	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21	ZINC000910669629	857487049	/nfs/dbraw/zinc/48/70/49/857487049.db2.gz	KRDNFHSCCKBQBZ-ZBFHGGJFSA-N	1	0	360.483	1.521	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)O[C@@](C)(C(F)F)C2)CC1	ZINC000668836498	857520104	/nfs/dbraw/zinc/52/01/04/857520104.db2.gz	ZXNWWCOBELZWPL-SJKOYZFVSA-N	1	0	359.417	1.024	20	30		FDEDRO
N#Cc1ccc(N(C(=O)C(=O)NCCC2CCC2)[C@@H]2CCC[NH2+]C2)nc1	ZINC000910858602	857787898	/nfs/dbraw/zinc/78/78/98/857787898.db2.gz	PMMQGBWMWVIQOE-MRXNPFEDSA-N	1	0	355.442	1.345	20	30		FDEDRO
C#CCN(C(=O)C(=O)N(C)Cc1ccc(Cl)s1)C1CC[NH+](C)CC1	ZINC000910884744	857834393	/nfs/dbraw/zinc/83/43/93/857834393.db2.gz	DIBBXKWDIGXCCF-UHFFFAOYSA-N	1	0	367.902	1.916	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@H]2COC[C@H]2C1	ZINC000669336233	863003576	/nfs/dbraw/zinc/00/35/76/863003576.db2.gz	YIGNZOBRVBQNFQ-MLHJIOFPSA-N	1	0	373.501	1.863	20	30		FDEDRO
C=C(C)Cn1c(-c2cc[nH]n2)nnc1N1CC[NH+](CC2CCOCC2)CC1	ZINC000669337668	863021289	/nfs/dbraw/zinc/02/12/89/863021289.db2.gz	PRUCPCOIYMADQL-UHFFFAOYSA-N	1	0	371.489	1.793	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1	ZINC000911384870	858547820	/nfs/dbraw/zinc/54/78/20/858547820.db2.gz	IPTOENQAQOMIAY-BRWVUGGUSA-N	1	0	363.502	1.512	20	30		FDEDRO
C=CCCC[C@H](NC(=O)C(=O)N1CCNCC[NH2+]CC1)c1ccccc1	ZINC000911367129	858557509	/nfs/dbraw/zinc/55/75/09/858557509.db2.gz	WPJXGKDHUWUWNB-SFHVURJKSA-N	1	0	358.486	1.222	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1C#N	ZINC000911431771	858613009	/nfs/dbraw/zinc/61/30/09/858613009.db2.gz	HUWZFKZMCALHAQ-SFHVURJKSA-N	1	0	354.454	1.474	20	30		FDEDRO
C[NH+]1CCC(N(CCO)C(=O)CCCC(=O)Nc2ccccc2C#N)CC1	ZINC000911939905	859167612	/nfs/dbraw/zinc/16/76/12/859167612.db2.gz	DGVQJXTWRMTIDK-UHFFFAOYSA-N	1	0	372.469	1.582	20	30		FDEDRO
CC(C)C[NH+]=C(NCCS(=O)(=O)N1CCSCC1)NC(C)(C)C	ZINC000912508449	859832473	/nfs/dbraw/zinc/83/24/73/859832473.db2.gz	NUBRBVSKDBVIAJ-UHFFFAOYSA-N	1	0	364.581	1.355	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+](CC(C)C)CC1	ZINC000669035518	860856788	/nfs/dbraw/zinc/85/67/88/860856788.db2.gz	NKXAZCMOXFICBY-MSOLQXFVSA-N	1	0	374.533	1.778	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C[C@H]1C	ZINC001106872079	881592484	/nfs/dbraw/zinc/59/24/84/881592484.db2.gz	DRXCRSAVDKBCOG-FRRDWIJNSA-N	1	0	364.446	1.549	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC([NH+]3CCC3)CC2)cc1	ZINC000912883546	860995771	/nfs/dbraw/zinc/99/57/71/860995771.db2.gz	HFPDDPPLCDVCFX-UHFFFAOYSA-N	1	0	363.483	1.461	20	30		FDEDRO
C[NH+](C)CCN1C[C@@H](C(=O)N2CCC(c3ccc(C#N)cn3)CC2)CC1=O	ZINC000912932776	861046087	/nfs/dbraw/zinc/04/60/87/861046087.db2.gz	KDHHAVOYPMTUCM-KRWDZBQOSA-N	1	0	369.469	1.069	20	30		FDEDRO
C#CCN1CCN(C(=O)CN(CC)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000760868875	863385860	/nfs/dbraw/zinc/38/58/60/863385860.db2.gz	TVZNMRJUBPKFRE-OAQYLSRUSA-N	1	0	368.525	1.360	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C)C(=O)NC1CCCC1	ZINC001105850137	863486450	/nfs/dbraw/zinc/48/64/50/863486450.db2.gz	IGNLLEAZZNSYJQ-RBSFLKMASA-N	1	0	366.531	1.375	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)SC)C[C@H]1C	ZINC001105854042	863507717	/nfs/dbraw/zinc/50/77/17/863507717.db2.gz	KXSCSGCJEBVKBI-BZUAXINKSA-N	1	0	353.532	1.623	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)/C(C)=C/CC)C[C@H]1C	ZINC001105896882	863778384	/nfs/dbraw/zinc/77/83/84/863778384.db2.gz	GJWOFYQCAJQEOV-PHIGAYBXSA-N	1	0	350.463	1.039	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001105911179	863931232	/nfs/dbraw/zinc/93/12/32/863931232.db2.gz	LAQXTWFWJADWCP-NVXWUHKLSA-N	1	0	354.429	1.909	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Cc1csc(CNC(=O)OC(C)(C)C)n1	ZINC000827972197	864071990	/nfs/dbraw/zinc/07/19/90/864071990.db2.gz	VRMSMZGRVCCDAZ-UHFFFAOYSA-N	1	0	366.487	1.392	20	30		FDEDRO
CCNC(=O)CCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1	ZINC001105931523	864075421	/nfs/dbraw/zinc/07/54/21/864075421.db2.gz	LQOABFUWTCUXMA-CRAIPNDOSA-N	1	0	356.470	1.659	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)CCC(=O)NCC)C[C@H]1C	ZINC001105931826	864078185	/nfs/dbraw/zinc/07/81/85/864078185.db2.gz	TVEXFYDIZPGMBH-DGCLKSJQSA-N	1	0	360.296	1.495	20	30		FDEDRO
CC[NH+]=C(NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)N1CC[C@]2(CCOC2)C1	ZINC000158146450	864111882	/nfs/dbraw/zinc/11/18/82/864111882.db2.gz	AULCFORQOSKOBA-QKLQHJQFSA-N	1	0	366.550	1.952	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)c2cccc(OC)c2)[C@H](C)C1	ZINC001105941557	864150504	/nfs/dbraw/zinc/15/05/04/864150504.db2.gz	BQQKJQYQYMYJRH-SUMDDJOVSA-N	1	0	362.470	1.615	20	30		FDEDRO
Cc1ccccc1CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C	ZINC001105952116	864211428	/nfs/dbraw/zinc/21/14/28/864211428.db2.gz	RAETZVGTGIEZGM-YQVWRLOYSA-N	1	0	370.497	1.797	20	30		FDEDRO
C=C(CNC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)c1ccccc1	ZINC000669586500	864264253	/nfs/dbraw/zinc/26/42/53/864264253.db2.gz	TWRTXTBSMIDAMC-PKOBYXMFSA-N	1	0	370.497	1.990	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+][C@@H]2CCN(CC)C2=O)[C@H](C)C1	ZINC001105981643	864325723	/nfs/dbraw/zinc/32/57/23/864325723.db2.gz	DBOBGSYJTQWISY-BRWVUGGUSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CC2)[C@H](C)C1	ZINC001105985292	864345952	/nfs/dbraw/zinc/34/59/52/864345952.db2.gz	GPSOZRZACNIYAQ-NVXWUHKLSA-N	1	0	351.491	1.180	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]CCO[C@H]1CC1(F)F	ZINC001105985711	864352865	/nfs/dbraw/zinc/35/28/65/864352865.db2.gz	QMRQVARVFCYXGC-KYOSRNDESA-N	1	0	352.385	1.608	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC001106016224	864639377	/nfs/dbraw/zinc/63/93/77/864639377.db2.gz	VEHRZFXIVPJUEQ-HZPDHXFCSA-N	1	0	371.485	1.609	20	30		FDEDRO
CC(C)N(C)C(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC001106016157	864656404	/nfs/dbraw/zinc/65/64/04/864656404.db2.gz	RDQABELZQFCYOR-QLFBSQMISA-N	1	0	359.474	1.439	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CO[C@H](C)CC)C[C@H]1C	ZINC001106020646	864719283	/nfs/dbraw/zinc/71/92/83/864719283.db2.gz	IMYYLRJFZNNQQU-KZNAEPCWSA-N	1	0	367.534	1.910	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+][C@H](C)c2ccccc2F)[C@H](C)C1	ZINC001106033440	864923596	/nfs/dbraw/zinc/92/35/96/864923596.db2.gz	QEOUFZYYRSFMJN-BZUAXINKSA-N	1	0	359.445	1.710	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)[C@H](C)C1	ZINC001106065923	865118457	/nfs/dbraw/zinc/11/84/57/865118457.db2.gz	NNTGFPLIPYEJNG-NUJGCVRESA-N	1	0	371.485	1.013	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CCc3ccc(OC)cc3)[C@@H]2C)nn1	ZINC001088906740	865370407	/nfs/dbraw/zinc/37/04/07/865370407.db2.gz	JVHJTOOLPGSWKB-QAPCUYQASA-N	1	0	369.469	1.908	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](CCO[C@@H]3CC3(F)F)[C@@H]2C)nn1	ZINC001088911310	865393016	/nfs/dbraw/zinc/39/30/16/865393016.db2.gz	JTGOYDOMZJMGBW-VNHYZAJKSA-N	1	0	369.416	1.471	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+](CCc2cnn(C)c2)[C@@H]1C	ZINC001088969421	865792818	/nfs/dbraw/zinc/79/28/18/865792818.db2.gz	WWSYVAVUCSXWPG-WBVHZDCISA-N	1	0	369.469	1.815	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C[C@@H]3CCc4ncnn43)[C@@H]2C)nc1	ZINC001088990511	865948606	/nfs/dbraw/zinc/94/86/06/865948606.db2.gz	APPPWWUPWYVWFC-KBMXLJTQSA-N	1	0	350.426	1.035	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C[C@@H](O)Cc3ccccc3)[C@@H]2C)cn1	ZINC001088991367	865957636	/nfs/dbraw/zinc/95/76/36/865957636.db2.gz	WESKQAKETDSSJL-CZAAIQMYSA-N	1	0	363.461	1.859	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC(=O)N2C)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001089012618	866023055	/nfs/dbraw/zinc/02/30/55/866023055.db2.gz	FWFODNJUSBECEC-JLSDUUJJSA-N	1	0	354.454	1.648	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cccnc2C(N)=O)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001089055455	866343621	/nfs/dbraw/zinc/34/36/21/866343621.db2.gz	LPPUQLYXUDFTGN-DYVFJYSZSA-N	1	0	363.421	1.445	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(C(N)=O)nc2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001089074553	866530554	/nfs/dbraw/zinc/53/05/54/866530554.db2.gz	LIWXOYFGZOPSJG-DYVFJYSZSA-N	1	0	363.421	1.445	20	30		FDEDRO
CC[NH+]1CCN(CC(C)(C)NC(=O)COc2ccc(C#N)cc2OC)CC1	ZINC000456904775	867176928	/nfs/dbraw/zinc/17/69/28/867176928.db2.gz	SNMXXJIKJXCOSM-UHFFFAOYSA-N	1	0	374.485	1.478	20	30		FDEDRO
C=CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000669818402	867781211	/nfs/dbraw/zinc/78/12/11/867781211.db2.gz	ZOCMWZLYXXXKIT-DLBZAZTESA-N	1	0	361.490	1.517	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC2(F)F)C[C@H]1C	ZINC001106088581	867908783	/nfs/dbraw/zinc/90/87/83/867908783.db2.gz	ACLIGYLPYOOTDY-MCIONIFRSA-N	1	0	356.417	1.088	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]Cc2nnc(C3CCC3)n2C)[C@H](C)C1	ZINC001106099593	868059511	/nfs/dbraw/zinc/05/95/11/868059511.db2.gz	MNSPEGFALDXPEX-NVXWUHKLSA-N	1	0	357.502	1.926	20	30		FDEDRO
CNC(=O)c1cccc(C[NH2+]C[C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2C)c1	ZINC001106104847	868135153	/nfs/dbraw/zinc/13/51/53/868135153.db2.gz	HHZZNNAVIMWXOJ-VQIMIIECSA-N	1	0	355.482	1.890	20	30		FDEDRO
COCCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C	ZINC001106108237	868266834	/nfs/dbraw/zinc/26/68/34/868266834.db2.gz	SZMUSLNWJLMNDA-IXDOHACOSA-N	1	0	365.518	1.261	20	30		FDEDRO
CC(C)(C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O)[NH+]1CCCC1	ZINC001077504060	868337661	/nfs/dbraw/zinc/33/76/61/868337661.db2.gz	UWJFGRQKMNMVPX-QZTJIDSGSA-N	1	0	356.470	1.094	20	30		FDEDRO
C=CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000508868901	868374952	/nfs/dbraw/zinc/37/49/52/868374952.db2.gz	XUYRURUFHNVVEH-UHFFFAOYSA-N	1	0	369.473	1.204	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)c(C#N)c2)[C@H](C)C1	ZINC001106111451	868389271	/nfs/dbraw/zinc/38/92/71/868389271.db2.gz	MRERFSOCIZOVSJ-RVKKMQEKSA-N	1	0	357.429	1.920	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(CCC)CCC)[C@H](C)C1	ZINC001106111893	868393257	/nfs/dbraw/zinc/39/32/57/868393257.db2.gz	RZEWWLDIYOHOMY-KZNAEPCWSA-N	1	0	365.518	1.357	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CCOCC(F)(F)F)[C@H](C)C1	ZINC001106116313	868572803	/nfs/dbraw/zinc/57/28/03/868572803.db2.gz	AEKIWBMXYHYURR-HZSPNIEDSA-N	1	0	350.381	1.288	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(CC)CC)[C@H](C)C1	ZINC001106116763	868575171	/nfs/dbraw/zinc/57/51/71/868575171.db2.gz	MWBVGJLTGYPEOM-OWCLPIDISA-N	1	0	351.491	1.014	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nc3c(o2)CCCC3)[C@H](C)C1	ZINC001106116546	868577490	/nfs/dbraw/zinc/57/74/90/868577490.db2.gz	GKGZCTWOCDOKAI-OWCLPIDISA-N	1	0	359.470	1.776	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CCOc2ccc(F)cc2)[C@H](C)C1	ZINC001106116689	868578872	/nfs/dbraw/zinc/57/88/72/868578872.db2.gz	KVUGUZVPYATLNO-IXDOHACOSA-N	1	0	362.445	1.927	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C3CC3)s2)[C@H](C)C1	ZINC001106116634	868579089	/nfs/dbraw/zinc/57/90/89/868579089.db2.gz	JDLUYUCDEKNWPA-UMVBOHGHSA-N	1	0	362.499	1.638	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]CCOC[C@H]2CCCCO2)[C@H](C)C1	ZINC001106117379	868595241	/nfs/dbraw/zinc/59/52/41/868595241.db2.gz	OPFGVRUNVVVZRF-GUDVDZBRSA-N	1	0	366.502	1.296	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]CCCCCn2cncn2)[C@H](C)C1	ZINC001106117471	868598368	/nfs/dbraw/zinc/59/83/68/868598368.db2.gz	RABWYGAXYSFYKN-QZTJIDSGSA-N	1	0	361.490	1.172	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2cccc3c2CCOC3)[C@H](C)C1	ZINC001106117505	868609435	/nfs/dbraw/zinc/60/94/35/868609435.db2.gz	SQERAPFIMAEINU-YLJYHZDGSA-N	1	0	370.493	1.983	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@H](O)Cc3ccccc3)C[C@@H]2O)cc1	ZINC001083691303	869088729	/nfs/dbraw/zinc/08/87/29/869088729.db2.gz	ISOGGKMABVHGMG-NJYVYQBISA-N	1	0	364.445	1.046	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccc(C)cc2)C[C@@H]1O	ZINC001083853206	882274692	/nfs/dbraw/zinc/27/46/92/882274692.db2.gz	ICZXVCMXYGUFRN-YRPNKDGESA-N	1	0	358.482	1.680	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(C)c(F)c2)C[C@@H]1O	ZINC001083853202	882275126	/nfs/dbraw/zinc/27/51/26/882275126.db2.gz	HWGJRESTNXDENS-NQYYFHDYSA-N	1	0	362.445	1.777	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC12CC[NH+](CC1)C2	ZINC000913635658	869269282	/nfs/dbraw/zinc/26/92/82/869269282.db2.gz	MNFIPWUQOQVSDP-CQSZACIVSA-N	1	0	350.463	1.928	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@@H]1O	ZINC001083853232	882293675	/nfs/dbraw/zinc/29/36/75/882293675.db2.gz	JOHOGQZORNXYEO-RNQOJCNYSA-N	1	0	369.465	1.810	20	30		FDEDRO
C[C@@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccc(C#N)cc1	ZINC000491516771	869346520	/nfs/dbraw/zinc/34/65/20/869346520.db2.gz	WWHXSXDBOJDNRD-MRXNPFEDSA-N	1	0	369.469	1.569	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(C#N)c(F)c1	ZINC000271917894	869590092	/nfs/dbraw/zinc/59/00/92/869590092.db2.gz	CSIZSNUFEOURNK-RHSMWYFYSA-N	1	0	360.433	1.281	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+]([C@@H](C)C(=O)NC)C[C@H]2CC1	ZINC000946818976	882357976	/nfs/dbraw/zinc/35/79/76/882357976.db2.gz	RVPNUTOEGNWSPZ-JCECYMMASA-N	1	0	363.502	1.273	20	30		FDEDRO
C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C[C@H](C)N1CC#N	ZINC000914018051	870366964	/nfs/dbraw/zinc/36/69/64/870366964.db2.gz	WJVZVAJMKVQMAD-CALCHBBNSA-N	1	0	370.501	1.674	20	30		FDEDRO
C[NH+]=C(NCc1ccc(CN2CCCC2=O)cc1)N1CC[C@]2(CCOC2)C1	ZINC000261950174	870610822	/nfs/dbraw/zinc/61/08/22/870610822.db2.gz	HDCGTSZPUSBBMX-NRFANRHFSA-N	1	0	370.497	1.997	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@@H](S(N)(=O)=O)C1)C(C)C	ZINC000914125956	870941527	/nfs/dbraw/zinc/94/15/27/870941527.db2.gz	PZIMBMJILBFIDR-CVEARBPZSA-N	1	0	372.535	1.148	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCc2nnn(C)c2C1)C(C)C	ZINC000914127617	870949788	/nfs/dbraw/zinc/94/97/88/870949788.db2.gz	MRPZAQIYDNXLQI-CRAIPNDOSA-N	1	0	360.506	1.670	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)/C=C/c2ccco2)[C@@H](n2ccnn2)C1	ZINC001128642151	882478183	/nfs/dbraw/zinc/47/81/83/882478183.db2.gz	ISSYMJYBYACRHY-WBXGCANISA-N	1	0	357.414	1.129	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnc(C)cn2)[C@@H](n2ccnn2)C1	ZINC001128652398	882507503	/nfs/dbraw/zinc/50/75/03/882507503.db2.gz	LQNNXQMOPOHQBQ-UAGQMJEPSA-N	1	0	355.446	1.387	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2cn3c(n2)CCCC3)C[C@H]1C	ZINC001106154098	871466422	/nfs/dbraw/zinc/46/64/22/871466422.db2.gz	YTWRJOSILKWRMY-IAGOWNOFSA-N	1	0	358.486	1.096	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)[C@H](OC)C1	ZINC001212472472	871500575	/nfs/dbraw/zinc/50/05/75/871500575.db2.gz	UPKXRYYZDWLGPW-BRWVUGGUSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1	ZINC000672783135	871708544	/nfs/dbraw/zinc/70/85/44/871708544.db2.gz	TYSVPYYLQLXWIK-DLBZAZTESA-N	1	0	350.507	1.086	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2COC)[C@H](OC)C1	ZINC001212481206	871905576	/nfs/dbraw/zinc/90/55/76/871905576.db2.gz	GRYDTGJUWMZGGZ-SJLPKXTDSA-N	1	0	366.506	1.966	20	30		FDEDRO
C[C@@H]1CN(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C[C@@H](C)N1CC#N	ZINC000914299270	872230460	/nfs/dbraw/zinc/23/04/60/872230460.db2.gz	PMCIIMUJNDYFOD-LMMKCTJWSA-N	1	0	357.502	1.787	20	30		FDEDRO
C=CCOc1ccc(CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1	ZINC000673093634	872588067	/nfs/dbraw/zinc/58/80/67/872588067.db2.gz	XTCXHEGAKBGOSS-UHFFFAOYSA-N	1	0	371.441	1.264	20	30		FDEDRO
C[C@H]1CN(C(=O)c2cc(C#N)cc(N(C)C)c2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000494131864	872924533	/nfs/dbraw/zinc/92/45/33/872924533.db2.gz	WOYKVJWFOMTVPB-JXFKEZNVSA-N	1	0	369.513	1.722	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC(C)(C)C=C)C[C@H]1C	ZINC001106183915	873084243	/nfs/dbraw/zinc/08/42/43/873084243.db2.gz	VLHSVYWMTHOMDQ-HUUCEWRRSA-N	1	0	364.490	1.285	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]3(C)C2)C1	ZINC000992894802	873106519	/nfs/dbraw/zinc/10/65/19/873106519.db2.gz	GVQQIMKSSBDKEM-XQBPLPMBSA-N	1	0	371.525	1.829	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2-c2ccncc2)[C@H](OC)C1	ZINC001212509448	873107787	/nfs/dbraw/zinc/10/77/87/873107787.db2.gz	ASMVZNYIAUMFKU-IAGOWNOFSA-N	1	0	371.441	1.103	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]3(C)C2)CC[N@@H+]1C	ZINC000992900508	873150936	/nfs/dbraw/zinc/15/09/36/873150936.db2.gz	XQUOUYMCOJYATE-QUJKESNLSA-N	1	0	357.498	1.437	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C[NH2+]CCNS(=O)(=O)CC)[C@H](C)C1	ZINC001106185532	873174588	/nfs/dbraw/zinc/17/45/88/873174588.db2.gz	OMLCBVBICFTGGT-HUUCEWRRSA-N	1	0	359.536	1.212	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cccs2)CC1	ZINC001003362558	873215773	/nfs/dbraw/zinc/21/57/73/873215773.db2.gz	AZIKQTBBJAELRG-ZACQAIPSSA-N	1	0	371.506	1.955	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2(C)CCC2)CC1	ZINC001003363718	873218845	/nfs/dbraw/zinc/21/88/45/873218845.db2.gz	SOXPLKGTUYOESF-KURKYZTESA-N	1	0	357.498	1.770	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccnn2[C@@H](C)CC)C[C@H]1C	ZINC001106191844	873268023	/nfs/dbraw/zinc/26/80/23/873268023.db2.gz	OUMAQCIVKLSFOX-OWCLPIDISA-N	1	0	361.490	1.454	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2=O)CC1	ZINC000922177437	873454590	/nfs/dbraw/zinc/45/45/90/873454590.db2.gz	LCECHGQRSSBTJU-LJQANCHMSA-N	1	0	368.481	1.493	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)NCC[NH+]2CCC(OC)CC2)c1	ZINC000674320459	882735169	/nfs/dbraw/zinc/73/51/69/882735169.db2.gz	JKUBNQBNESTDSU-UHFFFAOYSA-N	1	0	361.442	1.417	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)C1	ZINC001003512085	873626958	/nfs/dbraw/zinc/62/69/58/873626958.db2.gz	ASGHEHHMKOXBAL-UWVAXJGDSA-N	1	0	361.486	1.028	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1C	ZINC001106204558	873688079	/nfs/dbraw/zinc/68/80/79/873688079.db2.gz	ZRYPQIGJIFWXOG-HZPDHXFCSA-N	1	0	361.552	1.580	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)C(C)(C)F)C[C@@]3(C)C2)CC1	ZINC000993017172	873691903	/nfs/dbraw/zinc/69/19/03/873691903.db2.gz	BWRKYBIDERKJTC-OXJNMPFZSA-N	1	0	363.477	1.387	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)C[C@H]1C	ZINC001106211299	873782411	/nfs/dbraw/zinc/78/24/11/873782411.db2.gz	ZIQWYUDMAKUADV-OWCLPIDISA-N	1	0	357.520	1.061	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(OC(C)C)nc2)C[C@H]1C	ZINC001106213451	873830106	/nfs/dbraw/zinc/83/01/06/873830106.db2.gz	SXMSVKOTNDLERU-SJLPKXTDSA-N	1	0	359.470	1.816	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+]([C@H]2CCN(C(C)(C)C)C2=O)CC1	ZINC001003651635	873924997	/nfs/dbraw/zinc/92/49/97/873924997.db2.gz	GHVVDGNWDWQCNR-IKGGRYGDSA-N	1	0	363.502	1.558	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3ncc(C)o3)[C@H](C)C2)CCOCC1	ZINC001106232771	874036998	/nfs/dbraw/zinc/03/69/98/874036998.db2.gz	JPTVJZXLXHUHHB-NVXWUHKLSA-N	1	0	359.470	1.987	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]C[C@H]3CCS(=O)(=O)C3)[C@H](C)C2)CCC1	ZINC001106237642	874066179	/nfs/dbraw/zinc/06/61/79/874066179.db2.gz	PGTSKBDKRXTVRY-BRWVUGGUSA-N	1	0	366.527	1.299	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+][C@H]3CCN(CC=C)C3=O)[C@H](C)C2)CCC1	ZINC001106237880	874066967	/nfs/dbraw/zinc/06/69/67/874066967.db2.gz	WHLGHXNJFBQUPZ-KURKYZTESA-N	1	0	357.498	1.651	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CCn2c(C)csc2=O)C[C@H]1C	ZINC001106251630	874151780	/nfs/dbraw/zinc/15/17/80/874151780.db2.gz	NUTRFCPHXVMJGB-GDBMZVCRSA-N	1	0	367.515	1.495	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccn3c2CCCC3)C[C@H]1C	ZINC001106264335	874245729	/nfs/dbraw/zinc/24/57/29/874245729.db2.gz	DATGYWRYXRTVFT-BRWVUGGUSA-N	1	0	370.497	1.260	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C[C@H]1C	ZINC001106274587	874337218	/nfs/dbraw/zinc/33/72/18/874337218.db2.gz	LWBFSKPBPPMTJW-YWTNHNAXSA-N	1	0	358.486	1.688	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCc2ccsc2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106290382	874529710	/nfs/dbraw/zinc/52/97/10/874529710.db2.gz	PJFANRPUVSFCDF-GDBMZVCRSA-N	1	0	362.499	1.395	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@]2(C)C1	ZINC000993132624	874659860	/nfs/dbraw/zinc/65/98/60/874659860.db2.gz	FXCAKODMXKWZRM-MUKKUYKPSA-N	1	0	351.410	1.414	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccccc2CC)C[C@H]1C	ZINC001106305570	874667014	/nfs/dbraw/zinc/66/70/14/874667014.db2.gz	BIKCRVOJNCYYKO-VQIMIIECSA-N	1	0	355.482	1.225	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CCNC(=O)C2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106313342	874750193	/nfs/dbraw/zinc/75/01/93/874750193.db2.gz	XKRNBYILRSPAAU-JUXOCIIHSA-N	1	0	367.493	1.639	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)NC)[C@H](C)C2)cc1	ZINC001106330773	874802773	/nfs/dbraw/zinc/80/27/73/874802773.db2.gz	DUMCMTCMOBDHQJ-BFYDXBDKSA-N	1	0	359.470	1.684	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1C[NH2+]CC#Cc1ccccc1Cl	ZINC001106365666	874919447	/nfs/dbraw/zinc/91/94/47/874919447.db2.gz	WDFMAWACCVIMBN-UKRRQHHQSA-N	1	0	357.845	1.808	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3cccnc32)C[C@H]1C	ZINC001106383018	875014676	/nfs/dbraw/zinc/01/46/76/875014676.db2.gz	VETAZLVCXHDGNF-NVXWUHKLSA-N	1	0	364.449	1.282	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c(F)cc(C)cc2F)C[C@H]1C	ZINC001106403978	875133826	/nfs/dbraw/zinc/13/38/26/875133826.db2.gz	XYJYTHDAEHKKNY-ZIAGYGMSSA-N	1	0	363.408	1.320	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C(C)(C)C)on2)C[C@H]1C	ZINC001106412684	875161151	/nfs/dbraw/zinc/16/11/51/875161151.db2.gz	TYKUBMVXOCPLOG-ZIAGYGMSSA-N	1	0	360.458	1.019	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3[nH]ccc3n2)C[C@H]1C	ZINC001106419906	875205628	/nfs/dbraw/zinc/20/56/28/875205628.db2.gz	ZLNRBFLFVKCMBK-ZIAGYGMSSA-N	1	0	355.442	1.163	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ncc3ccccn32)C[C@H]1C	ZINC001106422629	875222526	/nfs/dbraw/zinc/22/25/26/875222526.db2.gz	BSXPTDGGOPIEQC-BZUAXINKSA-N	1	0	369.469	1.323	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(C(F)F)n(C)n2)C[C@H]1C	ZINC001106428352	875263508	/nfs/dbraw/zinc/26/35/08/875263508.db2.gz	ZHSXHJSWTMDZHB-CHWSQXEVSA-N	1	0	354.401	1.305	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2nnc3ccccc3n2)C[C@H]1C	ZINC001106435007	875301405	/nfs/dbraw/zinc/30/14/05/875301405.db2.gz	HCCGXHLUDVPUFD-HUUCEWRRSA-N	1	0	355.442	1.525	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc3ncccc3o2)C[C@H]1C	ZINC001106440432	875308267	/nfs/dbraw/zinc/30/82/67/875308267.db2.gz	HBCMKWUVZCQAJT-RBSFLKMASA-N	1	0	370.453	1.816	20	30		FDEDRO
C[C@H](C#N)C(=O)NCc1ccccc1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1	ZINC001060521790	875352486	/nfs/dbraw/zinc/35/24/86/875352486.db2.gz	KRWQRHXZCCMJEG-KBRIMQKVSA-N	1	0	365.437	1.948	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC(C)(C)CC(F)F)C[C@H]1C	ZINC001106451748	875366998	/nfs/dbraw/zinc/36/69/98/875366998.db2.gz	BENYDUYVGOJYOE-QLFBSQMISA-N	1	0	371.472	1.880	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106465074	875506545	/nfs/dbraw/zinc/50/65/45/875506545.db2.gz	GMXFANOZIJENET-BLIXFSHQSA-N	1	0	353.466	1.248	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnoc2-c2cnn(C)c2)C[C@H]1C	ZINC001106469773	875514322	/nfs/dbraw/zinc/51/43/22/875514322.db2.gz	IVFCCHBAFXBZAM-HUUCEWRRSA-N	1	0	371.441	1.023	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1C	ZINC001106470804	875544498	/nfs/dbraw/zinc/54/44/98/875544498.db2.gz	JRIMWMAYYOTQOA-IAGOWNOFSA-N	1	0	363.506	1.402	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]Cc2cnsn2)[C@H](C)C1	ZINC001106486398	875641250	/nfs/dbraw/zinc/64/12/50/875641250.db2.gz	REJXONIRNSJJJY-CPUCHLNUSA-N	1	0	352.504	1.951	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2cc3ccccc3o2)C[C@H]1C	ZINC001106501701	875726472	/nfs/dbraw/zinc/72/64/72/875726472.db2.gz	AKAAWAYIKRBBSY-NVXWUHKLSA-N	1	0	369.465	1.962	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]nc2C)C[C@H]1C	ZINC001106501973	875728234	/nfs/dbraw/zinc/72/82/34/875728234.db2.gz	DZYVGFYJWQKSMO-GDBMZVCRSA-N	1	0	361.490	1.440	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CCCNC(=O)C(C)(C)C)C[C@H]1C	ZINC001106506093	875741323	/nfs/dbraw/zinc/74/13/23/875741323.db2.gz	GGWIALREKBHKGY-IAGOWNOFSA-N	1	0	367.534	1.816	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(OC)cs2)C[C@H]1C	ZINC001106513557	875781821	/nfs/dbraw/zinc/78/18/21/875781821.db2.gz	BVEOOFONQWVDRY-MGPQQGTHSA-N	1	0	365.499	1.745	20	30		FDEDRO
Cc1cc(F)cc(C)c1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106513723	875783055	/nfs/dbraw/zinc/78/30/55/875783055.db2.gz	LOTADXSJTNWQHY-HUUCEWRRSA-N	1	0	360.433	1.380	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NCCCOCC)[C@H](C)C1	ZINC001106530332	875861456	/nfs/dbraw/zinc/86/14/56/875861456.db2.gz	AHNIRIBLVSBMKS-IXDOHACOSA-N	1	0	367.534	1.814	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)[C@H](C)C1	ZINC001106533866	875887802	/nfs/dbraw/zinc/88/78/02/875887802.db2.gz	PECOSBHBWPOJBD-IAGOWNOFSA-N	1	0	371.547	1.146	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@H]2CCOC2)[C@H](C)C1	ZINC001106556208	875945807	/nfs/dbraw/zinc/94/58/07/875945807.db2.gz	JXZJCKUYLWKEIH-KZNAEPCWSA-N	1	0	363.502	1.017	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H](C=C)CC)C[C@H]1C	ZINC001106567449	875976326	/nfs/dbraw/zinc/97/63/26/875976326.db2.gz	GNOCGOCQQWSDCV-BZUAXINKSA-N	1	0	364.490	1.285	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](C[NH2+]Cc2nnc3n2CCOC3)[C@H](C)C1	ZINC001106567966	875978129	/nfs/dbraw/zinc/97/81/29/875978129.db2.gz	YYRQHUKWAOOYQM-OWCLPIDISA-N	1	0	361.490	1.595	20	30		FDEDRO
CC#CCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1	ZINC000762495880	875987484	/nfs/dbraw/zinc/98/74/84/875987484.db2.gz	URBDDCZDAZSHDE-INIZCTEOSA-N	1	0	372.494	1.709	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCCC2(F)F)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106581488	876026741	/nfs/dbraw/zinc/02/67/41/876026741.db2.gz	FNEXPXWTJKAUFN-MGPQQGTHSA-N	1	0	356.417	1.136	20	30		FDEDRO
C=C(C)COCCNC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1	ZINC000762544235	876063625	/nfs/dbraw/zinc/06/36/25/876063625.db2.gz	JGAWWSNZEKJITI-UHFFFAOYSA-N	1	0	374.485	1.476	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c(F)cc(F)cc2F)C[C@H]1C	ZINC001106604652	876130104	/nfs/dbraw/zinc/13/01/04/876130104.db2.gz	UNLCTOVUIGKSQT-VXGBXAGGSA-N	1	0	367.371	1.151	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)[C@H](C)C2)CCC1	ZINC001106630893	876294491	/nfs/dbraw/zinc/29/44/91/876294491.db2.gz	HIPQGSADOQBXDS-HZSPNIEDSA-N	1	0	350.463	1.000	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]C[C@H](O)CN3CCCC3=O)[C@H](C)C2)C1	ZINC001106647046	876380613	/nfs/dbraw/zinc/38/06/13/876380613.db2.gz	FXHCVSYPKYTYIC-ZACQAIPSSA-N	1	0	363.502	1.010	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NC3CCCC3)[C@H](C)C2)c1	ZINC001106650773	876389284	/nfs/dbraw/zinc/38/92/84/876389284.db2.gz	CLVKJRRPIPKHOP-CRAIPNDOSA-N	1	0	368.481	1.419	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cn(CCC(C)C)nn2)C[C@H]1C	ZINC001106658546	876444203	/nfs/dbraw/zinc/44/42/03/876444203.db2.gz	MHIDNOXKXJJPQY-IAGOWNOFSA-N	1	0	363.506	1.825	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccnc(-n3cccn3)c2)C[C@H]1C	ZINC001106660629	876458052	/nfs/dbraw/zinc/45/80/52/876458052.db2.gz	VDFXEIQXSCKWLR-SJLPKXTDSA-N	1	0	369.469	1.768	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3c(C)ncc3C2)C[C@H]1C	ZINC001106667144	876483328	/nfs/dbraw/zinc/48/33/28/876483328.db2.gz	KOKUVXWDAIRSPB-BPQIPLTHSA-N	1	0	360.502	1.641	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2OCC[C@H]2C)C[C@H]1C	ZINC001106678279	876529663	/nfs/dbraw/zinc/52/96/63/876529663.db2.gz	GSQYSBVEYQEDPR-MTNOOBJLSA-N	1	0	365.518	1.520	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccccc2)[C@H](C)C1	ZINC001106680993	876550216	/nfs/dbraw/zinc/55/02/16/876550216.db2.gz	PSHGUWHVIYPTDP-RWQQGDIJSA-N	1	0	371.481	1.900	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C)cc2F)C[C@H]1C	ZINC001106697455	876600656	/nfs/dbraw/zinc/60/06/56/876600656.db2.gz	ZEZGDQRTSMZHFT-OWCLPIDISA-N	1	0	359.445	1.570	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3cnccc3n2)C[C@H]1C	ZINC001106698822	876607258	/nfs/dbraw/zinc/60/72/58/876607258.db2.gz	MZOWEPKBAPEFHC-NVXWUHKLSA-N	1	0	352.438	1.577	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106695635	876623169	/nfs/dbraw/zinc/62/31/69/876623169.db2.gz	IZDAWTCSNRVMDJ-CRAIPNDOSA-N	1	0	352.413	1.965	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3cc[nH]c3c2)C[C@H]1C	ZINC001106703340	876626032	/nfs/dbraw/zinc/62/60/32/876626032.db2.gz	JJDNZXCZHRWMLT-RHSMWYFYSA-N	1	0	354.454	1.768	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@H]1C	ZINC001106702140	876626665	/nfs/dbraw/zinc/62/66/65/876626665.db2.gz	WSYUKIUYUNLPLL-OWCLPIDISA-N	1	0	361.552	1.579	20	30		FDEDRO
CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC1(C#N)CC[NH+](C)CC1	ZINC000917125874	883066561	/nfs/dbraw/zinc/06/65/61/883066561.db2.gz	FTCSFUBFXBBKBG-SFHVURJKSA-N	1	0	354.454	1.627	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](O)Cc3ccccc3)C[C@@H]2O)CC1	ZINC001083754535	883070022	/nfs/dbraw/zinc/07/00/22/883070022.db2.gz	VZVXTXPSHZTEEW-AQNXPRMDSA-N	1	0	358.482	1.498	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1	ZINC001003789422	877222474	/nfs/dbraw/zinc/22/24/74/877222474.db2.gz	VUPUEOAVLUZABU-OALUTQOASA-N	1	0	371.481	1.847	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2csc(Cl)c2)C[C@H]1C	ZINC001106731038	877234985	/nfs/dbraw/zinc/23/49/85/877234985.db2.gz	COUZUCKUIGNFFH-MBNYWOFBSA-N	1	0	367.902	1.837	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1	ZINC000999187448	912220339	/nfs/dbraw/zinc/22/03/39/912220339.db2.gz	TVXBGCDIVNVQIY-ZTFGCOKTSA-N	1	0	354.454	1.554	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1C	ZINC001106743921	877428973	/nfs/dbraw/zinc/42/89/73/877428973.db2.gz	ZKANLEWARCWZQZ-QLFBSQMISA-N	1	0	359.536	1.353	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C[C@H]1C	ZINC001106750503	877496756	/nfs/dbraw/zinc/49/67/56/877496756.db2.gz	IOHLWMLIZASTKO-PHXBYCTMSA-N	1	0	370.497	1.861	20	30		FDEDRO
CC(=O)NCC(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1	ZINC001106753544	877558722	/nfs/dbraw/zinc/55/87/22/877558722.db2.gz	DQWODYCKJXQLMO-DNVCBOLYSA-N	1	0	370.497	1.905	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)C=CCC3)C[C@H]1C	ZINC001106753946	877563457	/nfs/dbraw/zinc/56/34/57/877563457.db2.gz	YTJWLBGKZCNQPL-OXQOHEQNSA-N	1	0	365.477	1.693	20	30		FDEDRO
N#CCOc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@]34C[C@H]3COC4)C2)cc1	ZINC000999204947	912251396	/nfs/dbraw/zinc/25/13/96/912251396.db2.gz	XKPSCUHYLNLMAQ-ZWOKBUDYSA-N	1	0	355.438	1.706	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O	ZINC000922324883	877635095	/nfs/dbraw/zinc/63/50/95/877635095.db2.gz	VAGVRBJXZRRTNL-YYCWZVFASA-N	1	0	365.518	1.747	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNc2ccc(S(N)(=O)=O)cc2C#N)CCCO1	ZINC000763047864	877671357	/nfs/dbraw/zinc/67/13/57/877671357.db2.gz	DTIWMAJDAWPGBF-ZDUSSCGKSA-N	1	0	352.460	1.118	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnn3cccc(OC)c23)C[C@H]1C	ZINC001106769487	877679248	/nfs/dbraw/zinc/67/92/48/877679248.db2.gz	XRMVHNZMIKJQGF-HZPDHXFCSA-N	1	0	370.453	1.290	20	30		FDEDRO
CC(=O)NC(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1	ZINC001106769506	877679801	/nfs/dbraw/zinc/67/98/01/877679801.db2.gz	YTQCUKVHDZDPSN-RDTXWAMCSA-N	1	0	356.470	1.657	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CCCC(=O)N(CC)CC)C[C@H]1C	ZINC001106770003	877683426	/nfs/dbraw/zinc/68/34/26/877683426.db2.gz	PVGQCGDGGGSWRX-QZTJIDSGSA-N	1	0	367.534	1.912	20	30		FDEDRO
N#C[C@]1(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC2CCC1CC2	ZINC000922350673	877834412	/nfs/dbraw/zinc/83/44/12/877834412.db2.gz	IVHPDDHLPFANRD-SDVBZNEUSA-N	1	0	374.529	1.619	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CCCN(c3ccc(C(=O)OCC)cn3)CC2)C1=O	ZINC000282120757	878081214	/nfs/dbraw/zinc/08/12/14/878081214.db2.gz	XSVKDDFYBCKCCB-QGZVFWFLSA-N	1	0	372.469	1.557	20	30		FDEDRO
CCn1cc(C(=O)N2C[C@@H](C[NH2+]CC#Cc3ccccc3)[C@H](C)C2)nn1	ZINC001106812715	878208160	/nfs/dbraw/zinc/20/81/60/878208160.db2.gz	ANIIMCWYWPUWBH-SJLPKXTDSA-N	1	0	351.454	1.647	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc3sccc3c2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106824787	878434945	/nfs/dbraw/zinc/43/49/45/878434945.db2.gz	HYYGLNITDSHZGI-CZUORRHYSA-N	1	0	370.478	1.839	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(=O)c(OC)c[nH]2)C[C@H]1C(F)(F)F	ZINC001099280540	878726482	/nfs/dbraw/zinc/72/64/82/878726482.db2.gz	TVHAOURKGLUAFJ-ZYHUDNBSSA-N	1	0	359.348	1.552	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc3ccncc32)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106827377	878921527	/nfs/dbraw/zinc/92/15/27/878921527.db2.gz	VBAKUNRQOMWBER-GDBMZVCRSA-N	1	0	365.437	1.172	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)CC1	ZINC000922678175	878990094	/nfs/dbraw/zinc/99/00/94/878990094.db2.gz	CNHWJKZHKGDBMU-KBPBESRZSA-N	1	0	352.479	1.685	20	30		FDEDRO
C=C(Cl)CN1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)[C@H]2C1	ZINC001083173089	912469833	/nfs/dbraw/zinc/46/98/33/912469833.db2.gz	RWORRTPWQSHPSE-YESZJQIVSA-N	1	0	355.910	1.773	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc3sccc3[nH]2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106833925	879753551	/nfs/dbraw/zinc/75/35/51/879753551.db2.gz	XWKMFUMIBJCTSB-VXGBXAGGSA-N	1	0	359.455	1.167	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)CC[N@@H+]1C	ZINC000993864048	879819316	/nfs/dbraw/zinc/81/93/16/879819316.db2.gz	IUZQJYQXWJFPBR-RRCSTGOVSA-N	1	0	357.458	1.051	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)[C@H](C)C1	ZINC000993910136	880117013	/nfs/dbraw/zinc/11/70/13/880117013.db2.gz	YNHZKWQNSJCWQN-IIDMSEBBSA-N	1	0	371.485	1.585	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC000993918511	880148296	/nfs/dbraw/zinc/14/82/96/880148296.db2.gz	MLFNZGUNFLVQEW-GDBMZVCRSA-N	1	0	371.485	1.443	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC2CCC(Nc3cncc(C#N)n3)CC2)CC[N@@H+]1C	ZINC001060629778	880282391	/nfs/dbraw/zinc/28/23/91/880282391.db2.gz	HAJUACHUHHYYPL-YQEWQEHLSA-N	1	0	356.474	1.918	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C)(C)CC(F)(F)F)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106840374	880444763	/nfs/dbraw/zinc/44/47/63/880444763.db2.gz	KIJIXWZXZHKBOJ-VXGBXAGGSA-N	1	0	362.396	1.289	20	30		FDEDRO
N#Cc1nccc(NC2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC2)n1	ZINC001060632554	880462626	/nfs/dbraw/zinc/46/26/26/880462626.db2.gz	FJTWJHTVQIRZAS-NWINJMCUSA-N	1	0	351.414	1.136	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C	ZINC001106843644	880835323	/nfs/dbraw/zinc/83/53/23/880835323.db2.gz	JQRFZMHWSXAWGL-HZPDHXFCSA-N	1	0	364.490	1.359	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)/C=C/c2ccc[nH]2)C[C@H]1C	ZINC000994195648	880989138	/nfs/dbraw/zinc/98/91/38/880989138.db2.gz	ZZDLFJGDZBDONS-JGJJFQDLSA-N	1	0	368.481	1.336	20	30		FDEDRO
COCCCOCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1	ZINC001106851267	881081767	/nfs/dbraw/zinc/08/17/67/881081767.db2.gz	NKMTWKFKBRMDRH-HUUCEWRRSA-N	1	0	365.499	1.857	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)ccc3C)C[C@@H]2O)nn1	ZINC001083846564	881174928	/nfs/dbraw/zinc/17/49/28/881174928.db2.gz	GQHAQMRPSGFGGO-MJGOQNOKSA-N	1	0	369.469	1.446	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)Cc1ccsc1Br	ZINC000915905092	881214446	/nfs/dbraw/zinc/21/44/46/881214446.db2.gz	IIJWZJNIVDOZGV-UHFFFAOYSA-N	1	0	365.318	1.885	20	30		FDEDRO
CC(=NNCC[NH+]1CCCCC1)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000915975904	881267246	/nfs/dbraw/zinc/26/72/46/881267246.db2.gz	ZHMWGTGRBJXPJA-UHFFFAOYSA-N	1	0	352.504	1.736	20	30		FDEDRO
Cc1cc(C=NNCC[NH+]2CCCCC2)c(C)n1CCN1CCOCC1	ZINC000915975725	881267695	/nfs/dbraw/zinc/26/76/95/881267695.db2.gz	WOMPTLSWIHIIMF-UHFFFAOYSA-N	1	0	361.534	1.847	20	30		FDEDRO
COc1ccc(OC)c([C@@H](O)C[NH2+]Cc2cnc3c(C#N)cnn3c2)c1	ZINC000917140904	883125860	/nfs/dbraw/zinc/12/58/60/883125860.db2.gz	ZNVOTTPYNHFGPN-INIZCTEOSA-N	1	0	353.382	1.441	20	30		FDEDRO
CCN(C(=O)[C@H]1C[C@@H](C)CC(=O)N1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC001033836079	883188432	/nfs/dbraw/zinc/18/84/32/883188432.db2.gz	DWEKAWKCXCTGGS-ATZDWAIDSA-N	1	0	368.481	1.896	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1	ZINC000917535195	883527434	/nfs/dbraw/zinc/52/74/34/883527434.db2.gz	AODUDLBDRDEEAY-UHFFFAOYSA-N	1	0	355.435	1.211	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)C1	ZINC001033960281	883626398	/nfs/dbraw/zinc/62/63/98/883626398.db2.gz	PQLPNDOSEHVGKW-KSZLIROESA-N	1	0	359.470	1.399	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)C[C@@H]1n1ccnn1	ZINC001128812024	883702817	/nfs/dbraw/zinc/70/28/17/883702817.db2.gz	NBIYBDRWONOQEL-KFWWJZLASA-N	1	0	369.416	1.258	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)CC2=CCCCC2)[C@@H](n2ccnn2)C1	ZINC001128821702	883724729	/nfs/dbraw/zinc/72/47/29/883724729.db2.gz	YMHWJRJKKYDOJS-MSOLQXFVSA-N	1	0	359.474	1.713	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[N@@H+](CCc2ccccc2F)C[C@@H]1n1ccnn1	ZINC001128816829	883732902	/nfs/dbraw/zinc/73/29/02/883732902.db2.gz	QRNVOINXPRESSK-MSOLQXFVSA-N	1	0	357.433	1.968	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](CC2CCC(C)CC2)C[C@@H]1n1ccnn1	ZINC001128825190	883746573	/nfs/dbraw/zinc/74/65/73/883746573.db2.gz	MSKCEUMCFFFMOZ-HIEASXQVSA-N	1	0	361.490	1.649	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](CC2CCC(F)(F)CC2)C[C@@H]1n1ccnn1	ZINC001128829111	883751529	/nfs/dbraw/zinc/75/15/29/883751529.db2.gz	BOBSZSFHIFPOPL-YUELXQCFSA-N	1	0	366.416	1.605	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C#N)c2ccc(F)cc2)CC1=O	ZINC000497851167	883777677	/nfs/dbraw/zinc/77/76/77/883777677.db2.gz	FDRHTWAGZBOKFG-KBAYOESNSA-N	1	0	372.444	1.839	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccc(C(N)=O)cc2)C1	ZINC000999427404	912750617	/nfs/dbraw/zinc/75/06/17/912750617.db2.gz	IWNDTVXQEPCATO-HIEASXQVSA-N	1	0	357.454	1.456	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](CCOC(C)C)C[C@@H]1n1ccnn1	ZINC001128870282	883905131	/nfs/dbraw/zinc/90/51/31/883905131.db2.gz	QQUGHPKUZVIWJD-SJORKVTESA-N	1	0	365.478	1.027	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2C)c1	ZINC000994565267	884269714	/nfs/dbraw/zinc/26/97/14/884269714.db2.gz	BQFSGSSGOADDHH-SZVBFZGTSA-N	1	0	368.481	1.229	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC001034403828	884316279	/nfs/dbraw/zinc/31/62/79/884316279.db2.gz	CPLRWGKGEIUSDJ-GBESFXJTSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)Cc2cncnc2)[C@@H](n2ccnn2)C1	ZINC001128948848	884352171	/nfs/dbraw/zinc/35/21/71/884352171.db2.gz	DQJXNHKKBJZJHN-MSOLQXFVSA-N	1	0	369.473	1.399	20	30		FDEDRO
C#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001034440912	884377460	/nfs/dbraw/zinc/37/74/60/884377460.db2.gz	YNLBCPZTEOOFEP-JENIJYKNSA-N	1	0	354.454	1.205	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@@H]1n1ccnn1	ZINC001128976241	884545022	/nfs/dbraw/zinc/54/50/22/884545022.db2.gz	LMNZNNFXIFKZAP-ZACQAIPSSA-N	1	0	359.474	1.094	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cn(CC)nn2)CC1	ZINC001034648638	884616741	/nfs/dbraw/zinc/61/67/41/884616741.db2.gz	LMNGWFDNFSCRDV-AHCXZYCDSA-N	1	0	361.490	1.796	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)C[C@@H]1n1ccnn1	ZINC001128985248	884723801	/nfs/dbraw/zinc/72/38/01/884723801.db2.gz	KLDYFDOPAAYZGR-OAGGEKHMSA-N	1	0	363.412	1.468	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC2(COC)CC2)[C@@H](n2ccnn2)C1	ZINC001128993820	884866319	/nfs/dbraw/zinc/86/63/19/884866319.db2.gz	UHVVULHGKZLDLE-BBWFWOEESA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCOCC(F)F)[C@@H](n2ccnn2)C1	ZINC001128993790	884899174	/nfs/dbraw/zinc/89/91/74/884899174.db2.gz	RRESKQHLWLVVMT-KFWWJZLASA-N	1	0	371.432	1.646	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(OC)nn2)CC1	ZINC001034737378	884943695	/nfs/dbraw/zinc/94/36/95/884943695.db2.gz	ZXWGWVVHXNLLPQ-SRABZTEZSA-N	1	0	360.458	1.593	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@H](CC)C(N)=O)CC1	ZINC001034753357	884963310	/nfs/dbraw/zinc/96/33/10/884963310.db2.gz	KGWVKMSSMVKDAZ-VIQHNZTISA-N	1	0	351.491	1.639	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@@H]1n1ccnn1	ZINC001129014333	885145714	/nfs/dbraw/zinc/14/57/14/885145714.db2.gz	GEYPOKODAUTGKZ-NXHRZFHOSA-N	1	0	361.490	1.549	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCc1ccc(C[NH2+][C@@H]2CCCNC2=O)cc1	ZINC001034818641	885170098	/nfs/dbraw/zinc/17/00/98/885170098.db2.gz	MJKJXZFHSITNLM-QRVBRYPASA-N	1	0	371.481	1.652	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ncnn2C(C)C)C1	ZINC000999538051	912908423	/nfs/dbraw/zinc/90/84/23/912908423.db2.gz	GXPWKEUEOIVDJV-OBQMCRIKSA-N	1	0	361.490	1.919	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]Cc2ccc(CNC(=O)[C@H]3OCC[C@H]3C)cc2)C1=O	ZINC001034829728	885239870	/nfs/dbraw/zinc/23/98/70/885239870.db2.gz	UAVIPKCJJCHNJE-MNEFBYGVSA-N	1	0	371.481	1.604	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)CCc2ccncn2)[C@@H](n2ccnn2)C1	ZINC001129019899	885248423	/nfs/dbraw/zinc/24/84/23/885248423.db2.gz	DHBITNASLOBNFK-SJORKVTESA-N	1	0	355.446	1.009	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCc2ccncn2)[C@@H](n2ccnn2)C1	ZINC001129020644	885260695	/nfs/dbraw/zinc/26/06/95/885260695.db2.gz	XFWXZVKGIGLPEJ-SJORKVTESA-N	1	0	355.446	1.009	20	30		FDEDRO
N#CCOc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@]23C[C@H]2COC3)cc1	ZINC001034940951	885394000	/nfs/dbraw/zinc/39/40/00/885394000.db2.gz	IFHICZASERDNFM-QKLQHJQFSA-N	1	0	355.438	1.706	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@@H]2n2ccnn2)CCC1	ZINC001129049040	885538163	/nfs/dbraw/zinc/53/81/63/885538163.db2.gz	PFVILGMLSPPCRR-KSZLIROESA-N	1	0	371.485	1.382	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccnc(N(C)C)c1	ZINC001035053618	885560446	/nfs/dbraw/zinc/56/04/46/885560446.db2.gz	DOVOQOWLKCSSPL-KURKYZTESA-N	1	0	358.486	1.819	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccn(C)c(=O)c1	ZINC001035075688	885573729	/nfs/dbraw/zinc/57/37/29/885573729.db2.gz	QCFNTEURRNWLIX-AOIWGVFYSA-N	1	0	359.470	1.447	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](n2ccnn2)C1	ZINC001129060088	885623493	/nfs/dbraw/zinc/62/34/93/885623493.db2.gz	JCUNXSCEORKGQF-CABCVRRESA-N	1	0	364.494	1.102	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)C2(C(F)(F)F)CCC2)[C@@H](n2ccnn2)C1	ZINC001129079871	885686862	/nfs/dbraw/zinc/68/68/62/885686862.db2.gz	KPLLUBFBILBKFK-OLZOCXBDSA-N	1	0	357.380	1.928	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccc(C)c(C)n2)[C@@H](n2ccnn2)C1	ZINC001129103016	885698171	/nfs/dbraw/zinc/69/81/71/885698171.db2.gz	BCJHERSJTBVGEB-MSOLQXFVSA-N	1	0	354.458	1.911	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cncc2C)[C@@H](n2ccnn2)C1	ZINC001129103560	885700189	/nfs/dbraw/zinc/70/01/89/885700189.db2.gz	MOUWZAVGYATRFA-OIISXLGYSA-N	1	0	357.462	1.179	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2ccc(=O)[nH]c2)[C@@H](n2ccnn2)C1	ZINC001129103979	885702751	/nfs/dbraw/zinc/70/27/51/885702751.db2.gz	XZNDREZTLIGFHA-UAGQMJEPSA-N	1	0	370.457	1.318	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H](C)CC(F)F)[C@@H](n2ccnn2)C1	ZINC001129107144	885764081	/nfs/dbraw/zinc/76/40/81/885764081.db2.gz	UQCVVOQACLRJKV-MCIONIFRSA-N	1	0	357.405	1.114	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC[N@H+](CCn3cccn3)C2)CC1	ZINC001035230683	885820113	/nfs/dbraw/zinc/82/01/13/885820113.db2.gz	PRDJQTTXVMZFPS-MSOLQXFVSA-N	1	0	358.486	1.789	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cncc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129128467	885826747	/nfs/dbraw/zinc/82/67/47/885826747.db2.gz	XOUANOLBHLMOCI-UHOSZYNNSA-N	1	0	368.485	1.920	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCn2ccnc2)[C@@H](n2ccnn2)C1	ZINC001129139041	885839163	/nfs/dbraw/zinc/83/91/63/885839163.db2.gz	DHOGCPZWIHVSHX-MSOLQXFVSA-N	1	0	371.489	1.653	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2ccnc2)[C@@H](n2ccnn2)C1	ZINC001129139599	885842775	/nfs/dbraw/zinc/84/27/75/885842775.db2.gz	NSGGJXVFBYOVCZ-ZACQAIPSSA-N	1	0	357.462	1.261	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCC[C@H](C)O)C[C@@H]2n2ccnn2)cc1	ZINC001129145124	885870051	/nfs/dbraw/zinc/87/00/51/885870051.db2.gz	ZSAGQYYPIPBDDP-IPELMVKDSA-N	1	0	367.453	1.076	20	30		FDEDRO
CO[C@H](Cc1ccccc1)C[N@@H+]1C[C@@H](NC(=O)C#CC(C)C)[C@H](OC)C1	ZINC001212241699	885947811	/nfs/dbraw/zinc/94/78/11/885947811.db2.gz	VZNQQFTXCMBDOD-VAMGGRTRSA-N	1	0	358.482	1.719	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(CC#Cc3ccccc3)CCO2)CC[N@@H+]1C	ZINC001035375553	885947877	/nfs/dbraw/zinc/94/78/77/885947877.db2.gz	KEVFVGDWMYYQLF-QHAWAJNXSA-N	1	0	369.509	1.585	20	30		FDEDRO
Cc1ccc(C#N)c(NCCOCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)n1	ZINC001127517332	886088100	/nfs/dbraw/zinc/08/81/00/886088100.db2.gz	AJCKOKBUOXKZHQ-HZPDHXFCSA-N	1	0	368.441	1.675	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[N@@H+](CCCCCOC)C[C@@H]1n1ccnn1	ZINC001129188796	886116242	/nfs/dbraw/zinc/11/62/42/886116242.db2.gz	AYQGQTINIHAKJF-MSOLQXFVSA-N	1	0	361.490	1.630	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1C[N@@H+](CCc2cnn(CC)c2)C[C@@H]1n1ccnn1	ZINC001129210294	886568871	/nfs/dbraw/zinc/56/88/71/886568871.db2.gz	PPQFISBWVIXYAW-MSOLQXFVSA-N	1	0	371.489	1.435	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)C2CCC(=C)CC2)[C@@H](n2ccnn2)C1	ZINC001129228459	886708041	/nfs/dbraw/zinc/70/80/41/886708041.db2.gz	TXSBIJVBMRXWGW-MSOLQXFVSA-N	1	0	359.474	1.569	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)CC(C)(C)CC#N)C2	ZINC000920275544	886804586	/nfs/dbraw/zinc/80/45/86/886804586.db2.gz	SRHNLOBANIKPDH-AIANPOQGSA-N	1	0	357.520	1.325	20	30		FDEDRO
CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)CC(C)(C)CC#N)C2)[C@H]1C(C)C	ZINC000920302417	886841761	/nfs/dbraw/zinc/84/17/61/886841761.db2.gz	IPIWJJCQWGUQQF-KONPQCLYSA-N	1	0	371.547	1.715	20	30		FDEDRO
CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)CC(C)(C)C#N)C2)[C@H]1C(C)C	ZINC000920303984	886848503	/nfs/dbraw/zinc/84/85/03/886848503.db2.gz	VQARWEGEPLMIEU-KCYZZUKISA-N	1	0	357.520	1.325	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)C#CC(C)(C)C	ZINC001212249016	886858976	/nfs/dbraw/zinc/85/89/76/886858976.db2.gz	TVZCSUYDZBFVHB-BRWVUGGUSA-N	1	0	352.475	1.047	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)Oc2cccnc2)[C@@H](n2ccnn2)C1	ZINC001129252710	886866559	/nfs/dbraw/zinc/86/65/59/886866559.db2.gz	HQESHLQUIPMMOM-UAGQMJEPSA-N	1	0	356.430	1.058	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC	ZINC001062293387	887034466	/nfs/dbraw/zinc/03/44/66/887034466.db2.gz	XMQSCAGAXUWDIF-AOIWGVFYSA-N	1	0	365.518	1.807	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCc1cc(C#N)ccc1F)C2	ZINC000920675498	887158621	/nfs/dbraw/zinc/15/86/21/887158621.db2.gz	SRXIXKMHWCEORL-XSYGEPLQSA-N	1	0	374.460	1.976	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccn(-c2ncccc2F)n1	ZINC000372860088	887221424	/nfs/dbraw/zinc/22/14/24/887221424.db2.gz	WMZABUWZJDZDSS-UHFFFAOYSA-N	1	0	359.409	2.106	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1C[C@@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O	ZINC000922954765	887578887	/nfs/dbraw/zinc/57/88/87/887578887.db2.gz	IUVIXZNXIKPRCN-URNBORRASA-N	1	0	365.518	1.747	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccc(NCC4CC4)nc3)CC2)C1=O	ZINC000329054621	887657014	/nfs/dbraw/zinc/65/70/14/887657014.db2.gz	ASUBSSNWDXOBTI-KRWDZBQOSA-N	1	0	371.485	1.903	20	30		FDEDRO
Cn1nnc2c1C[C@@H]([NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)CC2	ZINC000922989958	887686360	/nfs/dbraw/zinc/68/63/60/887686360.db2.gz	BSNXFDBFGPKZAY-SFHVURJKSA-N	1	0	350.470	1.798	20	30		FDEDRO
CO[C@@H]1CN(C[C@@H](O)CC(F)(F)F)C[C@H]1NC(=O)C#CC(C)(C)C	ZINC001212255145	887820461	/nfs/dbraw/zinc/82/04/61/887820461.db2.gz	DXAAAHMTPHESSB-YNEHKIRRSA-N	1	0	350.381	1.165	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N[C@H](CC[NH+](C)C)c2cccnc2)cc1C#N	ZINC000921479925	888052600	/nfs/dbraw/zinc/05/26/00/888052600.db2.gz	VVBLTTZVWUYSJY-QGZVFWFLSA-N	1	0	359.455	1.628	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@H]1OC	ZINC001212257405	888067951	/nfs/dbraw/zinc/06/79/51/888067951.db2.gz	AVZAHKJLDVMBPD-CWFSZBLJSA-N	1	0	356.466	1.529	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCCCc2ccccc2)C[C@H]1OC	ZINC001212258569	888084203	/nfs/dbraw/zinc/08/42/03/888084203.db2.gz	WHFFBHUFHLGBLO-DFQSSKMNSA-N	1	0	358.482	1.863	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@H]2CC[N@@H+](C)C2)c1	ZINC001005971370	888296897	/nfs/dbraw/zinc/29/68/97/888296897.db2.gz	FVHYFCAEWMHVFI-OWYHZJEWSA-N	1	0	366.465	1.266	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@@H]2CCc3ncnn32)CC1	ZINC001006023872	888760921	/nfs/dbraw/zinc/76/09/21/888760921.db2.gz	ZGJQRKAKOCFHIV-BBWFWOEESA-N	1	0	359.474	1.279	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CCCC3CCOCC3)C[C@@H]2O)c1	ZINC001083764915	888904064	/nfs/dbraw/zinc/90/40/64/888904064.db2.gz	DVNYRFLWQONSAX-MOPGFXCFSA-N	1	0	357.454	1.045	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nc1	ZINC000938609372	888954040	/nfs/dbraw/zinc/95/40/40/888954040.db2.gz	QEKPXQDCTOPWSG-JENIJYKNSA-N	1	0	368.481	1.466	20	30		FDEDRO
CCC[N@H+](C)C[C@H]1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1	ZINC000245563805	889025688	/nfs/dbraw/zinc/02/56/88/889025688.db2.gz	QDCJQGAPNPEZGZ-RTBURBONSA-N	1	0	363.550	1.342	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1	ZINC000946902503	889262574	/nfs/dbraw/zinc/26/25/74/889262574.db2.gz	WBJZVCBWLFIZGT-JQHSSLGASA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000938867112	889475408	/nfs/dbraw/zinc/47/54/08/889475408.db2.gz	DORWKLCXDDLBRF-KURKYZTESA-N	1	0	368.437	1.598	20	30		FDEDRO
C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000246138284	889527158	/nfs/dbraw/zinc/52/71/58/889527158.db2.gz	ZJHOFWZMFZNYLV-ZNMIVQPWSA-N	1	0	360.462	1.218	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC000938912276	889546459	/nfs/dbraw/zinc/54/64/59/889546459.db2.gz	WWBJZQBSZPVRPA-ZACQAIPSSA-N	1	0	361.486	1.123	20	30		FDEDRO
COC(=O)[C@]12C[N@@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C[C@H]1COCC2	ZINC000373797185	889593274	/nfs/dbraw/zinc/59/32/74/889593274.db2.gz	MWSVVKUMGKCDNI-ZRGWGRIASA-N	1	0	363.458	1.229	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H](C[C@@H]2COCC[NH2+]2)c2ccccc21	ZINC000923544322	889702152	/nfs/dbraw/zinc/70/21/52/889702152.db2.gz	KEDMXDSBBLTPGP-ARFHVFGLSA-N	1	0	372.469	1.369	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]Cc1cc(C(F)(F)F)nn1C	ZINC001127609323	889741532	/nfs/dbraw/zinc/74/15/32/889741532.db2.gz	VUIJCEDLJMYSMJ-OLZOCXBDSA-N	1	0	360.380	1.626	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)[C@@H]2CCO[C@@H]2CNC(=O)OC(C)(C)C)C1	ZINC000923556264	889810133	/nfs/dbraw/zinc/81/01/33/889810133.db2.gz	WVGCPJJQEYHUFL-ARFHVFGLSA-N	1	0	365.474	1.130	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)COCc1cccs1	ZINC001127613159	889940663	/nfs/dbraw/zinc/94/06/63/889940663.db2.gz	SIWDEVYMRIVNBP-OIISXLGYSA-N	1	0	368.499	1.313	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)c2cc(Cl)c(-n3cnnn3)cc2OC)C1	ZINC000923583632	889945076	/nfs/dbraw/zinc/94/50/76/889945076.db2.gz	NLPPRWOLFDMOPC-GFCCVEGCSA-N	1	0	374.832	1.152	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)c2cc(Cl)c(-n3cnnn3)cc2OC)C1	ZINC000923583633	889945473	/nfs/dbraw/zinc/94/54/73/889945473.db2.gz	NLPPRWOLFDMOPC-LBPRGKRZSA-N	1	0	374.832	1.152	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1CN(C(=O)CCn2ccnc2)C1	ZINC001006167742	889948260	/nfs/dbraw/zinc/94/82/60/889948260.db2.gz	WYEKFLDRMJUNCH-HFTRVMKXSA-N	1	0	360.458	1.218	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC(C)C)C[C@H]1OC	ZINC001212298011	889956453	/nfs/dbraw/zinc/95/64/53/889956453.db2.gz	RVTUYTQRULWVQF-ZJPYXAASSA-N	1	0	354.491	1.456	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2Cc3ccccc3O2)[C@H](OC)C1	ZINC001212309263	890029845	/nfs/dbraw/zinc/02/98/45/890029845.db2.gz	QSPGMAATEUDOAG-ZHALLVOQSA-N	1	0	360.454	1.398	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1CN([C@H](C)C(=O)NCCCC)C[C@H]1OC	ZINC001212321268	890115723	/nfs/dbraw/zinc/11/57/23/890115723.db2.gz	ZJTFKCGXUXCJNT-KBAYOESNSA-N	1	0	365.518	1.875	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1	ZINC000999903623	913417768	/nfs/dbraw/zinc/41/77/68/913417768.db2.gz	FOOKXHMFJHZQHN-MOPGFXCFSA-N	1	0	371.481	1.322	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)CC1	ZINC000939205343	890236999	/nfs/dbraw/zinc/23/69/99/890236999.db2.gz	WVEFCLIXGGYYTP-GYFISPQKSA-N	1	0	357.498	1.341	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCC1	ZINC001063228774	890357998	/nfs/dbraw/zinc/35/79/98/890357998.db2.gz	JFJDRJARQVZKST-HZMVEIRTSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1CN(CC(=O)N2CCC[C@@H](C)C2)C[C@H]1OC	ZINC001212339192	890384148	/nfs/dbraw/zinc/38/41/48/890384148.db2.gz	ZEFVWEPYNLXMRC-BRWVUGGUSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNC(=O)[C@H]2CCC[N@H+]2CCC)CCC1	ZINC001063335532	890454955	/nfs/dbraw/zinc/45/49/55/890454955.db2.gz	XHUGTDQXDNOYOE-ZACQAIPSSA-N	1	0	363.502	1.607	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C4=COCCO4)[C@@H]3C2)cc1	ZINC001084169418	913519910	/nfs/dbraw/zinc/51/99/10/913519910.db2.gz	IRFLBMSWGZHJEN-SJLPKXTDSA-N	1	0	369.421	1.510	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1	ZINC000939762311	891213018	/nfs/dbraw/zinc/21/30/18/891213018.db2.gz	PLXAWVSNFDDDRM-BBWFWOEESA-N	1	0	361.486	1.265	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1	ZINC000939757489	891232355	/nfs/dbraw/zinc/23/23/55/891232355.db2.gz	PCJMBFZMTQOSNE-KSZLIROESA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC[NH+]([C@@H]2CCCN(C)C2=O)CC1	ZINC001001929895	891631490	/nfs/dbraw/zinc/63/14/90/891631490.db2.gz	AMHYOMNPHUWGCP-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)COCc2nccn2C)[C@H](OC)C1	ZINC001212444102	891929848	/nfs/dbraw/zinc/92/98/48/891929848.db2.gz	CJSWDQPACXWXSH-BZUAXINKSA-N	1	0	350.463	1.107	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)C[NH+]2CCC(C)CC2)C1	ZINC001002194579	892203056	/nfs/dbraw/zinc/20/30/56/892203056.db2.gz	CGVOITFYXTYQMT-HKUYNNGSSA-N	1	0	363.502	1.274	20	30		FDEDRO
C[C@H]1CN(C(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1	ZINC000253603364	892625679	/nfs/dbraw/zinc/62/56/79/892625679.db2.gz	KIBQBRFISMGCRK-ROUUACIJSA-N	1	0	370.497	1.702	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1	ZINC000672307537	892918807	/nfs/dbraw/zinc/91/88/07/892918807.db2.gz	DPUXUVTWVVNMFK-IBGZPJMESA-N	1	0	355.482	1.844	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2c(Cl)nn(C)c2C)C[C@H]1C	ZINC001106927831	892982447	/nfs/dbraw/zinc/98/24/47/892982447.db2.gz	IKTWEBFEJKYXCM-TZMCWYRMSA-N	1	0	352.866	1.329	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1	ZINC001002483513	893017256	/nfs/dbraw/zinc/01/72/56/893017256.db2.gz	DKQCUEKJLQFDOM-BZSNNMDCSA-N	1	0	363.502	1.417	20	30		FDEDRO
CC(=O)N(C)CCCC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1	ZINC001106930934	893022545	/nfs/dbraw/zinc/02/25/45/893022545.db2.gz	JAMDNFRREHFKQF-WIYYLYMNSA-N	1	0	369.509	1.981	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN(C(C)=O)CCO2)C[C@H]1C	ZINC001106937815	893091701	/nfs/dbraw/zinc/09/17/01/893091701.db2.gz	GDUJNMUABJWQTE-QRQLOZEOSA-N	1	0	367.534	1.888	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(OCC)cc2)C[C@H]1C	ZINC001106939986	893112904	/nfs/dbraw/zinc/11/29/04/893112904.db2.gz	WXLHTFMRZAIRLP-NVXWUHKLSA-N	1	0	357.454	1.132	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1C	ZINC001106935725	893143745	/nfs/dbraw/zinc/14/37/45/893143745.db2.gz	WQYLLBMWFQYUJG-HZPDHXFCSA-N	1	0	361.552	1.532	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCOC[C@@H]2c2ccco2)CC1	ZINC000672356772	893182793	/nfs/dbraw/zinc/18/27/93/893182793.db2.gz	LQVQLMHCLZKVIB-MRXNPFEDSA-N	1	0	361.442	1.336	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000940771025	893192312	/nfs/dbraw/zinc/19/23/12/893192312.db2.gz	CFJKXLJWXVHMHD-HSALFYBXSA-N	1	0	367.493	1.658	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2CN(C)C(=O)[C@@H]2C[C@H]2C2CC2)CC1	ZINC001002593568	893336170	/nfs/dbraw/zinc/33/61/70/893336170.db2.gz	UKZMYBVTQJHDRO-HSALFYBXSA-N	1	0	371.525	1.827	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CN(C(=O)CCC[NH+](C)C)C2)CC1	ZINC001061108794	893346916	/nfs/dbraw/zinc/34/69/16/893346916.db2.gz	SBFHHMPEPUKWBL-SJORKVTESA-N	1	0	363.502	1.370	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C(=O)N(C)C)cc3)C[C@H]21	ZINC001084232818	913787235	/nfs/dbraw/zinc/78/72/35/913787235.db2.gz	IZBJNOUAIJURKH-BMGDILEWSA-N	1	0	354.454	1.581	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC2)CC1(C)C	ZINC000941038236	893663809	/nfs/dbraw/zinc/66/38/09/893663809.db2.gz	CQQGKUCDRKGNLH-IXDOHACOSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cn3ccccc3n2)C[C@H]1C	ZINC001106946306	893667846	/nfs/dbraw/zinc/66/78/46/893667846.db2.gz	RADKKQIITZMNJU-BZUAXINKSA-N	1	0	369.469	1.323	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CNC(=O)c2cccc(C)c2)C[C@H]1C	ZINC001106949154	893889052	/nfs/dbraw/zinc/88/90/52/893889052.db2.gz	SBYBFUKCVLVYSX-IEBWSBKVSA-N	1	0	371.481	1.059	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2	ZINC001002825893	894233661	/nfs/dbraw/zinc/23/36/61/894233661.db2.gz	XXHCHNLBUJYHLS-DZVNLGKHSA-N	1	0	361.486	1.312	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCN(C(=O)C2([NH+](C)C)CCC2)CC1	ZINC000941220218	894356445	/nfs/dbraw/zinc/35/64/45/894356445.db2.gz	NONXNLFISOOYIS-SJORKVTESA-N	1	0	363.502	1.513	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)cn1	ZINC000941222370	894370406	/nfs/dbraw/zinc/37/04/06/894370406.db2.gz	ZFZNQARFOWXQAR-RBUKOAKNSA-N	1	0	368.481	1.468	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000922023511	894430235	/nfs/dbraw/zinc/43/02/35/894430235.db2.gz	VERSYSOFDMKSTO-UHFFFAOYSA-N	1	0	351.859	1.930	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000922025308	894531370	/nfs/dbraw/zinc/53/13/70/894531370.db2.gz	XFERGCUJKMECJV-UHFFFAOYSA-N	1	0	351.428	1.454	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000922027621	894550954	/nfs/dbraw/zinc/55/09/54/894550954.db2.gz	YYHODTUYKIMUKV-UHFFFAOYSA-N	1	0	350.440	1.176	20	30		FDEDRO
N#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](CCCN4CCCC4=O)C[C@H]32)[nH]1	ZINC001084283631	913924848	/nfs/dbraw/zinc/92/48/48/913924848.db2.gz	ICKQKELLVGECNR-RHSMWYFYSA-N	1	0	355.442	1.045	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CN2CCCCCC2=O)C[C@H]1C	ZINC001106961015	895853963	/nfs/dbraw/zinc/85/39/63/895853963.db2.gz	MOAXJTIMJGYTQP-IAGOWNOFSA-N	1	0	351.491	1.276	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(F)cc2)C[C@H]1C	ZINC001106963953	896120458	/nfs/dbraw/zinc/12/04/58/896120458.db2.gz	SUKGGEOIEVAXLY-IXDOHACOSA-N	1	0	362.445	1.927	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@H+](CC3CC3)C2)nn1	ZINC000999987058	896519446	/nfs/dbraw/zinc/51/94/46/896519446.db2.gz	NJZINUIYNYHOQC-KSZLIROESA-N	1	0	359.474	1.532	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)nn2)C1	ZINC000999998510	896547516	/nfs/dbraw/zinc/54/75/16/896547516.db2.gz	TYQQQSCJGVYVEE-ARFHVFGLSA-N	1	0	355.446	1.244	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC000671100233	896571120	/nfs/dbraw/zinc/57/11/20/896571120.db2.gz	JULMFOORXOPBAR-QZTJIDSGSA-N	1	0	371.481	1.953	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)[C@@H]2C1	ZINC001084340623	914095423	/nfs/dbraw/zinc/09/54/23/914095423.db2.gz	JJIVEOIGQPTBGL-BFYDXBDKSA-N	1	0	357.458	1.262	20	30		FDEDRO
C=CC[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)CC2(CCOCC2)C1	ZINC001089948492	896822782	/nfs/dbraw/zinc/82/27/82/896822782.db2.gz	WVNLHMZXGYIBMA-BRWVUGGUSA-N	1	0	358.486	1.697	20	30		FDEDRO
N#Cc1ccc(CN2CCCN(C(=O)c3coc(C(N)=O)c3)CC2)cc1	ZINC000273509637	896917587	/nfs/dbraw/zinc/91/75/87/896917587.db2.gz	PVIXOXVOTIWAMY-UHFFFAOYSA-N	1	0	352.394	1.598	20	30		FDEDRO
COC(=O)C1CC[NH+](CCCNC(=O)Cc2c(F)cccc2C#N)CC1	ZINC000506507433	897035934	/nfs/dbraw/zinc/03/59/34/897035934.db2.gz	BUVXPZFICPAKHF-UHFFFAOYSA-N	1	0	361.417	1.631	20	30		FDEDRO
C=CC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@@H]3CCO[C@H]3CC)C2)n1	ZINC001128111466	897119740	/nfs/dbraw/zinc/11/97/40/897119740.db2.gz	BFLDEABVVVTTHL-KURKYZTESA-N	1	0	358.486	1.867	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2-n2cnnn2)C[C@H]1C	ZINC001106970786	897124939	/nfs/dbraw/zinc/12/49/39/897124939.db2.gz	SZFYVBLHQMZCDX-HZPDHXFCSA-N	1	0	370.457	1.163	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)OCCO3)C[C@H]1C	ZINC001106974949	897266460	/nfs/dbraw/zinc/26/64/60/897266460.db2.gz	DJNFJJAVBCKMLB-NVXWUHKLSA-N	1	0	360.454	1.958	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)COc2cccc(C)c2)C[C@H]1C	ZINC001106975258	897281248	/nfs/dbraw/zinc/28/12/48/897281248.db2.gz	IXPAPAHQJGEQSX-FGTMMUONSA-N	1	0	371.481	1.196	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106983707	897511143	/nfs/dbraw/zinc/51/11/43/897511143.db2.gz	FTQCPFASLZWYMH-IEBWSBKVSA-N	1	0	357.473	1.957	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1O	ZINC001078028109	897658049	/nfs/dbraw/zinc/65/80/49/897658049.db2.gz	ZIIAPUDBCFTTSV-RTBURBONSA-N	1	0	371.481	1.839	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCc3cccc(F)c3)C[C@H]2O)nc1	ZINC001078030112	897665141	/nfs/dbraw/zinc/66/51/41/897665141.db2.gz	IRXQASSTDDMPBL-WOJBJXKFSA-N	1	0	367.424	1.610	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1	ZINC000765932446	898344785	/nfs/dbraw/zinc/34/47/85/898344785.db2.gz	YNXPWJIGYACMAE-KRWDZBQOSA-N	1	0	355.438	1.770	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2N(C(=O)[C@@H](C)C#N)CC3)CC1	ZINC000995322489	898394727	/nfs/dbraw/zinc/39/47/27/898394727.db2.gz	FVSQJTSXSJFVMY-YRISNDGFSA-N	1	0	370.497	1.379	20	30		FDEDRO
C[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2N(C(=O)C#CC2CC2)CC3)CC1	ZINC000995335021	898537728	/nfs/dbraw/zinc/53/77/28/898537728.db2.gz	CRKHSUYCNVOXLR-WIYYLYMNSA-N	1	0	357.498	1.629	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CCCCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000943287945	898630799	/nfs/dbraw/zinc/63/07/99/898630799.db2.gz	RMBGQFJKBYTOCA-VNQPRFMTSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CC2CCOCC2)C1	ZINC001078402766	898735709	/nfs/dbraw/zinc/73/57/09/898735709.db2.gz	XLJISZFVFCDEBZ-QRVBRYPASA-N	1	0	366.502	1.601	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2conc2CC)C1	ZINC001078472454	898804453	/nfs/dbraw/zinc/80/44/53/898804453.db2.gz	XTBSXZPFMJTKLV-JZXOWHBKSA-N	1	0	363.458	1.535	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2ncc(C)s2)C1	ZINC001078473980	898807620	/nfs/dbraw/zinc/80/76/20/898807620.db2.gz	PYKZQTKHZDAJOR-OAGGEKHMSA-N	1	0	365.499	1.750	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2oc(C)nc2C)C1	ZINC001078474141	898809772	/nfs/dbraw/zinc/80/97/72/898809772.db2.gz	VJFAQPDICRQDIA-ZACQAIPSSA-N	1	0	363.458	1.590	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)CC2)CC[N@@H+]1C	ZINC000943679928	899177243	/nfs/dbraw/zinc/17/72/43/899177243.db2.gz	CQQXWLXYTBPFOE-ILXVDBEPSA-N	1	0	371.485	1.774	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C3)nc1	ZINC001001697670	899196607	/nfs/dbraw/zinc/19/66/07/899196607.db2.gz	GOJNFXDBCQUWKF-NRSFXHEJSA-N	1	0	352.438	1.019	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C2	ZINC001001700579	899207954	/nfs/dbraw/zinc/20/79/54/899207954.db2.gz	TZCKSIIYOSUQOB-YSTOQKLRSA-N	1	0	365.477	1.553	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1	ZINC001061022361	899286671	/nfs/dbraw/zinc/28/66/71/899286671.db2.gz	JUDFHUQDDYPLOO-GPMSIDNRSA-N	1	0	363.502	1.105	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC1	ZINC000943773468	899353363	/nfs/dbraw/zinc/35/33/63/899353363.db2.gz	UFEKMAYNEJLDSN-TXTZMMAHSA-N	1	0	363.502	1.605	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)n2c(C)ccc2C)C[C@H]1C	ZINC001107030961	899643401	/nfs/dbraw/zinc/64/34/01/899643401.db2.gz	FUFNIPDWZBXMQN-FHLIZLRMSA-N	1	0	358.486	1.099	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1	ZINC000944017833	899708492	/nfs/dbraw/zinc/70/84/92/899708492.db2.gz	NQCFCPPQDSZAOZ-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1	ZINC000944052207	899772741	/nfs/dbraw/zinc/77/27/41/899772741.db2.gz	CEDKGTLESHKHQN-ZTFGCOKTSA-N	1	0	354.454	1.124	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)C2CC2)C[C@H]1C	ZINC001107042893	900060257	/nfs/dbraw/zinc/06/02/57/900060257.db2.gz	CVHZLLVDPLDPFC-JFIYKMOQSA-N	1	0	362.518	1.869	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc(C3CC3)c2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001107048298	900128963	/nfs/dbraw/zinc/12/89/63/900128963.db2.gz	QJDCJJJQJCKGRW-RDTXWAMCSA-N	1	0	354.454	1.501	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC3(CCN(C(=O)[C@@H](C)C#N)C3)CC2)CC[N@@H+]1C	ZINC000944387112	900231571	/nfs/dbraw/zinc/23/15/71/900231571.db2.gz	OZELALUOSIOZRV-YESZJQIVSA-N	1	0	360.502	1.717	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nc(C(F)F)no2)[C@H](C)C1	ZINC001107063088	900448181	/nfs/dbraw/zinc/44/81/81/900448181.db2.gz	BAHAUZUUTNDQDB-GRYCIOLGSA-N	1	0	358.389	1.782	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCC(C)(C)C)[C@H](C)C1	ZINC001107063182	900449277	/nfs/dbraw/zinc/44/92/77/900449277.db2.gz	FIJQVJIADRIEPP-BRWVUGGUSA-N	1	0	367.534	1.814	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CCn2cc(Cl)cn2)[C@H](C)C1	ZINC001107063543	900449538	/nfs/dbraw/zinc/44/95/38/900449538.db2.gz	RQCHRSDCCNREBE-QLFBSQMISA-N	1	0	354.882	1.812	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCC(C)(C)C)[C@H](C)C1	ZINC001107063183	900449672	/nfs/dbraw/zinc/44/96/72/900449672.db2.gz	FIJQVJIADRIEPP-IXDOHACOSA-N	1	0	367.534	1.814	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2nnnn2C2CC2)[C@H](C)C1	ZINC001107063724	900450935	/nfs/dbraw/zinc/45/09/35/900450935.db2.gz	YMVIKDUZJGPXAT-QLFBSQMISA-N	1	0	362.478	1.346	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+][C@H](C)c2nnc(CC)o2)[C@H](C)C1	ZINC001107064959	900452125	/nfs/dbraw/zinc/45/21/25/900452125.db2.gz	CRGIRMPCFUHJNK-RBSFLKMASA-N	1	0	350.463	1.970	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2csc(COC)n2)C[C@H]1C	ZINC001107069080	900482721	/nfs/dbraw/zinc/48/27/21/900482721.db2.gz	NIEAAHBEHAORAH-ZIAGYGMSSA-N	1	0	351.472	1.237	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccccc2N(C)C)C[C@H]1C	ZINC001107074957	900528340	/nfs/dbraw/zinc/52/83/40/900528340.db2.gz	NHERQQPGXKJKMA-BRWVUGGUSA-N	1	0	370.497	1.188	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)cc1C#N	ZINC000804238962	900977695	/nfs/dbraw/zinc/97/76/95/900977695.db2.gz	QZENPTOIKYRIKX-UHFFFAOYSA-N	1	0	372.469	1.420	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cn(CC=C)nn2)[C@@H](n2ccnn2)C1	ZINC001129307646	901067812	/nfs/dbraw/zinc/06/78/12/901067812.db2.gz	JMJTYJYRIOICLM-UXLLHSPISA-N	1	0	370.461	1.066	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129307836	901074494	/nfs/dbraw/zinc/07/44/94/901074494.db2.gz	QAVPGTISPIFDIS-ZCNNSNEGSA-N	1	0	365.481	1.912	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)CC1	ZINC001079084041	901104626	/nfs/dbraw/zinc/10/46/26/901104626.db2.gz	CHGFMTKBHZXKAL-KSZLIROESA-N	1	0	365.518	1.757	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNC(=O)CC[N@@H+](C)CCC)CCC1	ZINC001063848774	901164619	/nfs/dbraw/zinc/16/46/19/901164619.db2.gz	YJFLDJJEEYCEPG-CVEARBPZSA-N	1	0	351.491	1.465	20	30		FDEDRO
N#Cc1cnc(N2C[C@@H]3CCN(C(=O)CCC[NH+]4CCCC4)[C@@H]3C2)cn1	ZINC001090317750	901650672	/nfs/dbraw/zinc/65/06/72/901650672.db2.gz	HVDJDSCITYVUCO-DOTOQJQBSA-N	1	0	354.458	1.261	20	30		FDEDRO
O=C(c1ccco1)N1CCN(C(NCCc2ccco2)=[NH+]C2CC2)CC1	ZINC000073187209	901793662	/nfs/dbraw/zinc/79/36/62/901793662.db2.gz	KRSZIDWSBSCOGJ-UHFFFAOYSA-N	1	0	356.426	1.981	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC2(C)CCN(c3cnc(C#N)cn3)CC2)CC[N@@H+]1C	ZINC001065115124	901856917	/nfs/dbraw/zinc/85/69/17/901856917.db2.gz	FFFZNPLNRWWQFO-JKSUJKDBSA-N	1	0	356.474	1.554	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2ccc(C#N)cn2)CC[N@@H+]1C	ZINC001065170790	901882849	/nfs/dbraw/zinc/88/28/49/901882849.db2.gz	BWIXKDJKMLSIRF-NRSFXHEJSA-N	1	0	353.470	1.863	20	30		FDEDRO
C[NH+]=C(NCC(=O)Nc1ccc(F)c(F)c1F)N[C@H]1CCN(C2CC2)C1	ZINC000083166965	901916555	/nfs/dbraw/zinc/91/65/55/901916555.db2.gz	RZJOZCMGDWWGLB-JTQLQIEISA-N	1	0	369.391	1.444	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N(Cc2ccccc2)[C@@H]2C[N@@H+](CC3CC3)C[C@H]2O)c1	ZINC001079132528	901945866	/nfs/dbraw/zinc/94/58/66/901945866.db2.gz	SBOFMIUUBWHYGM-WOJBJXKFSA-N	1	0	364.449	1.984	20	30		FDEDRO
N#Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H]2C[N@@H+](CCCF)C[C@H]2O)[nH]1	ZINC001079132658	901946676	/nfs/dbraw/zinc/94/66/76/901946676.db2.gz	ZPDBNTOTGJAVKT-RTBURBONSA-N	1	0	370.428	1.933	20	30		FDEDRO
N#CCN[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC[C@H]1c1ccc(F)cc1	ZINC001079152385	901986894	/nfs/dbraw/zinc/98/68/94/901986894.db2.gz	KBDGYQBYIWSCDE-XUVXKRRUSA-N	1	0	370.472	1.965	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2nccn2)CC[C@H]1c1ccc(F)cc1	ZINC001079153533	901989807	/nfs/dbraw/zinc/98/98/07/901989807.db2.gz	MCXNSGZPPIQRBI-ZWKOTPCHSA-N	1	0	357.433	1.968	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCCC(=O)N2)C1	ZINC001079136993	902009535	/nfs/dbraw/zinc/00/95/35/902009535.db2.gz	NYVMTGJBZAKITE-GUDVDZBRSA-N	1	0	371.481	1.305	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCCCN2C)C1	ZINC001079138204	902017460	/nfs/dbraw/zinc/01/74/60/902017460.db2.gz	TULQWGZNKIBJBP-NJDAHSKKSA-N	1	0	369.509	1.568	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cncn2C)C1	ZINC001079138239	902020697	/nfs/dbraw/zinc/02/06/97/902020697.db2.gz	VFMRVWSIYCWYJB-RTBURBONSA-N	1	0	352.438	1.131	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2csnn2)C1	ZINC001079139479	902024131	/nfs/dbraw/zinc/02/41/31/902024131.db2.gz	WLGCSHNDDAMDTH-IAGOWNOFSA-N	1	0	358.467	1.802	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[NH+](CCCCCNC(=O)[C@H]2OCC[C@H]2C)CC1	ZINC001079166241	902035439	/nfs/dbraw/zinc/03/54/39/902035439.db2.gz	YXRHCGUCSIIJPO-IKGGRYGDSA-N	1	0	364.490	1.002	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ncc(OC)cn2)CC[C@H]1c1ccc(F)cc1	ZINC001079154527	902068199	/nfs/dbraw/zinc/06/81/99/902068199.db2.gz	HXUOMMSQKWYIOK-ZWKOTPCHSA-N	1	0	368.412	1.845	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccnc(OC)n2)CC[C@H]1c1ccc(F)cc1	ZINC001079154493	902068634	/nfs/dbraw/zinc/06/86/34/902068634.db2.gz	GLHUPWZWOFRJKV-FUHWJXTLSA-N	1	0	368.412	1.845	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCCC(=O)N2)CC[C@H]1c1ccc(F)cc1	ZINC001079154473	902068850	/nfs/dbraw/zinc/06/88/50/902068850.db2.gz	FFQNFCFINQPBCB-GBESFXJTSA-N	1	0	371.456	1.792	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCNC(=O)CC2)CC[C@H]1c1ccc(F)cc1	ZINC001079155547	902071340	/nfs/dbraw/zinc/07/13/40/902071340.db2.gz	FXYARGHZVBXYSD-YTQUADARSA-N	1	0	371.456	1.649	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](CCCCCNC(=O)C2CC2)CC1	ZINC001079155026	902071488	/nfs/dbraw/zinc/07/14/88/902071488.db2.gz	IKGMVBUKXIVWQN-MSOLQXFVSA-N	1	0	363.502	1.418	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)CC[C@H]1c1ccc(F)cc1	ZINC001079155663	902071837	/nfs/dbraw/zinc/07/18/37/902071837.db2.gz	MGOFKXHZSLGDID-QKLQHJQFSA-N	1	0	357.429	1.259	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)co2)C[C@H]1c1cccc(F)c1	ZINC001079198573	902098037	/nfs/dbraw/zinc/09/80/37/902098037.db2.gz	HHQPXGMCCVRANT-JKSUJKDBSA-N	1	0	355.369	1.349	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C)C2)C[C@H]1c1cccc(F)c1	ZINC001079205868	902110991	/nfs/dbraw/zinc/11/09/91/902110991.db2.gz	JAQSLWTUSIPBJW-FHLIZLRMSA-N	1	0	357.429	1.211	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1c1cccc(F)c1	ZINC001079181448	902120180	/nfs/dbraw/zinc/12/01/80/902120180.db2.gz	QCPKULPXQYIYRM-LSDHHAIUSA-N	1	0	363.824	1.905	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+][C@H]2CCNC2=O)C1	ZINC001079183768	902127180	/nfs/dbraw/zinc/12/71/80/902127180.db2.gz	SULGFPCAKLTEPL-OKZBNKHCSA-N	1	0	355.413	1.012	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1c1cccc(F)c1	ZINC001079186101	902130525	/nfs/dbraw/zinc/13/05/25/902130525.db2.gz	AIYNKOLNGADQAJ-BPQIPLTHSA-N	1	0	359.445	1.812	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1c1cccc(F)c1	ZINC001079186512	902131818	/nfs/dbraw/zinc/13/18/18/902131818.db2.gz	OXQHFCVYFSWMFQ-BPQIPLTHSA-N	1	0	359.445	1.764	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1c1cccc(F)c1	ZINC001079187417	902133735	/nfs/dbraw/zinc/13/37/35/902133735.db2.gz	FAIHXIQCILJMBZ-DOTOQJQBSA-N	1	0	356.401	1.798	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCN(C)C(=O)C2)C[C@H]1c1cccc(F)c1	ZINC001079189013	902139885	/nfs/dbraw/zinc/13/98/85/902139885.db2.gz	BZLIIIPIVSIJNB-RYQLBKOJSA-N	1	0	359.445	1.764	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCCC(=O)N2)C[C@H]1c1cccc(F)c1	ZINC001079190463	902146157	/nfs/dbraw/zinc/14/61/57/902146157.db2.gz	TXADFXYRKMAFRR-OKZBNKHCSA-N	1	0	359.445	1.955	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccnc3n[nH]nc32)C[C@H]1c1cccc(F)c1	ZINC001079191405	902147848	/nfs/dbraw/zinc/14/78/48/902147848.db2.gz	OETWFHBOLPLMHH-JKSUJKDBSA-N	1	0	366.400	1.876	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](NCC#N)C2)CC[N@@H+]1C	ZINC001079195304	902157342	/nfs/dbraw/zinc/15/73/42/902157342.db2.gz	OMQCZLVFQUJKHF-OYSPMZIOSA-N	1	0	358.461	1.964	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3ccc(C#N)[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079235535	902174617	/nfs/dbraw/zinc/17/46/17/902174617.db2.gz	DITUBRKLRPIQJF-FUHWJXTLSA-N	1	0	352.438	1.463	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3cnnc(C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079239308	902185432	/nfs/dbraw/zinc/18/54/32/902185432.db2.gz	MQIVBZVVQQCDRL-ZWKOTPCHSA-N	1	0	356.470	1.914	20	30		FDEDRO
O=C(C#CC1CC1)N1CC2(CC[NH+](Cc3ccns3)CC2)[C@H]2COC[C@H]21	ZINC001079240735	902190260	/nfs/dbraw/zinc/19/02/60/902190260.db2.gz	AMIJEEMIINLAHC-ZWKOTPCHSA-N	1	0	371.506	1.996	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)Cc3ccn(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079240977	902190414	/nfs/dbraw/zinc/19/04/14/902190414.db2.gz	ILPWZOIXFYENGT-ZWKOTPCHSA-N	1	0	358.486	1.478	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc(CC)ccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079242342	902193464	/nfs/dbraw/zinc/19/34/64/902193464.db2.gz	UIOWIGNROGWHIX-PKOBYXMFSA-N	1	0	353.466	1.830	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc(OCC)cn2)C[C@H]1c1cccc(F)c1	ZINC001079212429	902199717	/nfs/dbraw/zinc/19/97/17/902199717.db2.gz	ZRHMMQSAVXKHPO-FUHWJXTLSA-N	1	0	368.412	1.845	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)CN3CCCC3=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079221897	902223218	/nfs/dbraw/zinc/22/32/18/902223218.db2.gz	NCQOAFKOFSIHGW-DLBZAZTESA-N	1	0	361.486	1.124	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3ccc4n[nH]nc4n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079244872	902250679	/nfs/dbraw/zinc/25/06/79/902250679.db2.gz	KLFOJYQXJFSIQI-XJKSGUPXSA-N	1	0	368.441	1.092	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)CCc3ccnn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079245072	902253431	/nfs/dbraw/zinc/25/34/31/902253431.db2.gz	VQGIXQNGTQZOJV-RBUKOAKNSA-N	1	0	370.497	1.315	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3snnc3CC)[C@@H]3COC[C@@H]32)CC1	ZINC001079250034	902266764	/nfs/dbraw/zinc/26/67/64/902266764.db2.gz	IGWXAFIAQBVEMX-DZGCQCFKSA-N	1	0	360.483	1.287	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3ccnnc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079250165	902268503	/nfs/dbraw/zinc/26/85/03/902268503.db2.gz	PUBLGFNXXIJCNN-ZWKOTPCHSA-N	1	0	354.454	1.361	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)Cn3cncc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079250185	902268658	/nfs/dbraw/zinc/26/86/58/902268658.db2.gz	QHYMKSUDBLFZIM-ZWKOTPCHSA-N	1	0	356.470	1.154	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3scnc3Cl)[C@@H]3COC[C@@H]32)CC1	ZINC001079273620	902279983	/nfs/dbraw/zinc/27/99/83/902279983.db2.gz	GZYKCPSFJVOFLQ-QWHCGFSZSA-N	1	0	365.886	1.983	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc(OC)ccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079254678	902280631	/nfs/dbraw/zinc/28/06/31/902280631.db2.gz	OTPVGETUNRXSEJ-FUHWJXTLSA-N	1	0	355.438	1.276	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@H](C)c3cncnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079258179	902290920	/nfs/dbraw/zinc/29/09/20/902290920.db2.gz	QUYKXSBHXUZIAA-BPQIPLTHSA-N	1	0	354.454	1.153	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3nc(Cl)cs3)[C@@H]3COC[C@@H]32)CC1	ZINC001079258293	902292390	/nfs/dbraw/zinc/29/23/90/902292390.db2.gz	XQKOFINPTUNJSX-QWHCGFSZSA-N	1	0	365.886	1.983	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)C[C@H]3CCCOC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079273784	902300947	/nfs/dbraw/zinc/30/09/47/902300947.db2.gz	QGDYXJRNSPUCPD-CEXWTWQISA-N	1	0	360.498	1.766	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc(C(C)C)n[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079262788	902302281	/nfs/dbraw/zinc/30/22/81/902302281.db2.gz	AWQREPNGVBMEJK-MAUKXSAKSA-N	1	0	356.470	1.719	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)Cn3nccc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079263743	902306461	/nfs/dbraw/zinc/30/64/61/902306461.db2.gz	IYTOETTWIHLVHQ-ZWKOTPCHSA-N	1	0	356.470	1.154	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cc(COC)on3)[C@@H]3COC[C@@H]32)CC1	ZINC001079263583	902306817	/nfs/dbraw/zinc/30/68/17/902306817.db2.gz	BTGNHTPOMMVLEU-DOTOQJQBSA-N	1	0	361.442	1.560	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)Cc3cscn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079265641	902312559	/nfs/dbraw/zinc/31/25/59/902312559.db2.gz	UGCIWEWKRKMUOT-DLBZAZTESA-N	1	0	359.495	1.648	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cccn4ccnc34)[C@@H]3COC[C@@H]32)CC1	ZINC001079265747	902314053	/nfs/dbraw/zinc/31/40/53/902314053.db2.gz	ZHJZPNJWDWMSNO-ZWKOTPCHSA-N	1	0	364.449	1.521	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC3(CC[NH+](CCCF)CC3)[C@H]3COC[C@H]32)nc1	ZINC001079270366	902330281	/nfs/dbraw/zinc/33/02/81/902330281.db2.gz	OSBXNNUYFPOLFD-PKOBYXMFSA-N	1	0	371.456	1.976	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)COc3ccc(C)cc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079272614	902336344	/nfs/dbraw/zinc/33/63/44/902336344.db2.gz	PIIOPAHIOHWMFA-VQTJNVASSA-N	1	0	368.477	1.946	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)Cc3ccc(F)cc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079272816	902337846	/nfs/dbraw/zinc/33/78/46/902337846.db2.gz	ZBOSECDELDKVNL-RBUKOAKNSA-N	1	0	356.441	1.941	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)CCc3cnn(C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079274291	902354920	/nfs/dbraw/zinc/35/49/20/902354920.db2.gz	LSRIOACEYGTPIN-ZWKOTPCHSA-N	1	0	358.486	1.478	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC)C2)C[C@H]1c1ccccc1F	ZINC001079296511	902400395	/nfs/dbraw/zinc/40/03/95/902400395.db2.gz	DUQQXJOVYFQXDC-QILLFSRXSA-N	1	0	357.429	1.211	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COc2cc(C)on2)C[C@H]1c1ccccc1F	ZINC001079298871	902406209	/nfs/dbraw/zinc/40/62/09/902406209.db2.gz	KUCFPKFHXTVIFJ-DOTOQJQBSA-N	1	0	357.385	1.718	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@]2(CC)CCNC2=O)C[C@H]1c1ccccc1F	ZINC001079298691	902406398	/nfs/dbraw/zinc/40/63/98/902406398.db2.gz	BBJKVLRIEZEONO-XAUMDUMWSA-N	1	0	357.429	1.259	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COc2cccnc2)C[C@H]1c1ccccc1F	ZINC001079316108	902411942	/nfs/dbraw/zinc/41/19/42/902411942.db2.gz	XPLYQSNSLPTVKG-PKOBYXMFSA-N	1	0	353.397	1.817	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C2CCN(C(C)=O)CC2)C[C@H]1c1ccccc1F	ZINC001079320936	902423315	/nfs/dbraw/zinc/42/33/15/902423315.db2.gz	SHWZMOOIKATLBR-AZUAARDMSA-N	1	0	371.456	1.601	20	30		FDEDRO
Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]2C)[nH]n1	ZINC001079460868	902585305	/nfs/dbraw/zinc/58/53/05/902585305.db2.gz	HVVXTYSIBVRSLF-FZKQIMNGSA-N	1	0	353.426	1.871	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C3)cc1	ZINC000995933830	902741161	/nfs/dbraw/zinc/74/11/61/902741161.db2.gz	YYVFJALJUFAOFJ-XWSJACJDSA-N	1	0	351.450	1.624	20	30		FDEDRO
COc1cccc([C@@H](O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)c1	ZINC001079581717	902836470	/nfs/dbraw/zinc/83/64/70/902836470.db2.gz	ZKUKYEJLNKIGLA-ZNOIYHFQSA-N	1	0	368.437	1.679	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CCC[NH+]2CCC3)c1	ZINC000996004824	902881809	/nfs/dbraw/zinc/88/18/09/902881809.db2.gz	ZZYFDNIBZSMTOS-VYDXJSESSA-N	1	0	367.453	1.376	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC001079600117	902898393	/nfs/dbraw/zinc/89/83/93/902898393.db2.gz	ROQUXDJNMFKYTR-CXAGYDPISA-N	1	0	366.421	1.908	20	30		FDEDRO
C[C@@H]1CN(Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001079710767	903122342	/nfs/dbraw/zinc/12/23/42/903122342.db2.gz	WCYUYPVALLQJRC-HEFCMCLBSA-N	1	0	370.472	1.976	20	30		FDEDRO
C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001079726114	903143993	/nfs/dbraw/zinc/14/39/93/903143993.db2.gz	CAVFVJHFJQFMMO-BCXHYRKLSA-N	1	0	358.461	1.974	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)CC2CC[NH+](C)CC2)C1	ZINC001079765842	903231941	/nfs/dbraw/zinc/23/19/41/903231941.db2.gz	WXFKCGPUKFMOJS-MSOLQXFVSA-N	1	0	363.502	1.369	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)c2)C[C@H]1C	ZINC001079878026	903601079	/nfs/dbraw/zinc/60/10/79/903601079.db2.gz	BJSCBWNVUWYHFA-AHRSYUTCSA-N	1	0	355.482	1.729	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1C	ZINC001079849995	903625063	/nfs/dbraw/zinc/62/50/63/903625063.db2.gz	FLNXBPOCAZELFU-NVXWUHKLSA-N	1	0	354.454	1.623	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3CCCC(=O)N3)C2)cc1C#N	ZINC001079922214	903718561	/nfs/dbraw/zinc/71/85/61/903718561.db2.gz	MLDYIBHZPHNNEH-KBRIMQKVSA-N	1	0	370.453	1.172	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1CCN(C)C(=O)C1	ZINC001079976880	903867744	/nfs/dbraw/zinc/86/77/44/903867744.db2.gz	AGYUTRYPXQCENG-ZTFGCOKTSA-N	1	0	354.454	1.363	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]([NH2+]CC(=O)N2CCCC2)C(C)(C)C1	ZINC000996409829	903875306	/nfs/dbraw/zinc/87/53/06/903875306.db2.gz	YDDHQXHLHROVCD-BQFCYCMXSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]2C)cc1	ZINC001079978022	903877864	/nfs/dbraw/zinc/87/78/64/903877864.db2.gz	UIGMQIYPRVEBPH-IIDMSEBBSA-N	1	0	359.470	1.778	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C3)cc1	ZINC000996548708	904097337	/nfs/dbraw/zinc/09/73/37/904097337.db2.gz	MWSJPIRZIUPDPO-YRXWBPOGSA-N	1	0	351.450	1.481	20	30		FDEDRO
Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)cn1	ZINC001107282704	904320103	/nfs/dbraw/zinc/32/01/03/904320103.db2.gz	QXEVEHUKPBUGOY-VQIMIIECSA-N	1	0	355.442	1.004	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]CCn2nc(C)nc2C)CC1	ZINC000996601657	904321674	/nfs/dbraw/zinc/32/16/74/904321674.db2.gz	UPTBLMRSUOBLDH-MSOLQXFVSA-N	1	0	361.490	1.457	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(CC)CC)CC2	ZINC001107330721	904460578	/nfs/dbraw/zinc/46/05/78/904460578.db2.gz	KVXBBZZDMYTLOC-VQIMIIECSA-N	1	0	351.491	1.418	20	30		FDEDRO
CCN(C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C#N)[nH]3)CCC[C@@H]12	ZINC001107363585	904562658	/nfs/dbraw/zinc/56/26/58/904562658.db2.gz	HZNLSTBRTRMTNO-VQIMIIECSA-N	1	0	357.458	1.339	20	30		FDEDRO
N#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC2CC2)CC3)[nH]1	ZINC001107363974	904564315	/nfs/dbraw/zinc/56/43/15/904564315.db2.gz	YNPOPJMCDBCWTR-YLJYHZDGSA-N	1	0	369.469	1.387	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C)cs3)CCC[C@@H]12	ZINC001107389272	904638102	/nfs/dbraw/zinc/63/81/02/904638102.db2.gz	JAUOULYGNPTZBN-VQIMIIECSA-N	1	0	359.495	1.780	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCC(F)F)CC2	ZINC001107381503	904652407	/nfs/dbraw/zinc/65/24/07/904652407.db2.gz	MKEGECRKSCDRBC-FHLIZLRMSA-N	1	0	360.445	1.956	20	30		FDEDRO
C#CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H](O)Cn1cccn1)CC2	ZINC001107383851	904656431	/nfs/dbraw/zinc/65/64/31/904656431.db2.gz	ISTDOJIELZBKLL-NLWGTHIKSA-N	1	0	358.486	1.408	20	30		FDEDRO
CC(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccn(C)c(=O)c1)CC2	ZINC001107394287	904698258	/nfs/dbraw/zinc/69/82/58/904698258.db2.gz	WTXOIVSSHLCVKV-WIYYLYMNSA-N	1	0	355.482	1.906	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCc1ccnn1C)CC2	ZINC001107402518	904739367	/nfs/dbraw/zinc/73/93/67/904739367.db2.gz	NRCGVANYFBIRKR-ILZDJORESA-N	1	0	358.486	1.362	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000764474351	904765637	/nfs/dbraw/zinc/76/56/37/904765637.db2.gz	YHZAHDYTEOZGRV-UHFFFAOYSA-N	1	0	364.877	1.223	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)NC(=O)COC)CCC[C@@H]12	ZINC001107417796	904790378	/nfs/dbraw/zinc/79/03/78/904790378.db2.gz	QEVCMUGWQKZEHI-GPMSIDNRSA-N	1	0	351.491	1.465	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cn4c(n3)CCCC4)CCC[C@@H]12	ZINC001107424431	904831839	/nfs/dbraw/zinc/83/18/39/904831839.db2.gz	NSVLTPDPUPCPKT-WIYYLYMNSA-N	1	0	370.497	1.844	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C(=O)COC)CCC[C@@H]12	ZINC001107426085	904846855	/nfs/dbraw/zinc/84/68/55/904846855.db2.gz	FDYFYRUDLWZMNS-VQIMIIECSA-N	1	0	351.491	1.418	20	30		FDEDRO
C#CCC1(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)CCC1	ZINC001107433237	904888097	/nfs/dbraw/zinc/88/80/97/904888097.db2.gz	VQBUXRBECMOREC-OXQOHEQNSA-N	1	0	356.470	1.181	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]cc2-c2cnn(C)c2)[C@H](OC)C1	ZINC001081656976	904888787	/nfs/dbraw/zinc/88/87/87/904888787.db2.gz	VOPPNLOLURSYQY-QZTJIDSGSA-N	1	0	357.458	1.810	20	30		FDEDRO
CO[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001081676219	904925062	/nfs/dbraw/zinc/92/50/62/904925062.db2.gz	ZOPFDCXYFNIHSA-VAMGGRTRSA-N	1	0	368.481	1.215	20	30		FDEDRO
CCc1c[nH]c(CC(=O)NC[C@]23CCC[C@H]2[N@H+](CC#CCOC)CC3)n1	ZINC001107442752	904938281	/nfs/dbraw/zinc/93/82/81/904938281.db2.gz	NXKGLJPZMSFCEP-YLJYHZDGSA-N	1	0	358.486	1.525	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC34CC4)CCC[C@@H]12	ZINC001107448754	904967265	/nfs/dbraw/zinc/96/72/65/904967265.db2.gz	RSJSRMFUOVURDY-CSODHUTKSA-N	1	0	357.498	1.677	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH]nc3CCC)CCC[C@@H]12	ZINC001107459827	904981394	/nfs/dbraw/zinc/98/13/94/904981394.db2.gz	ZUOPURVVVYYYAM-YLJYHZDGSA-N	1	0	371.485	1.086	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnn(C)c3Cl)CCC[C@@H]12	ZINC001107450784	904986934	/nfs/dbraw/zinc/98/69/34/904986934.db2.gz	MSOPWBYKSHLZOB-CRAIPNDOSA-N	1	0	364.877	1.698	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3ccccc3)CCC[C@@H]12	ZINC001107453277	904993768	/nfs/dbraw/zinc/99/37/68/904993768.db2.gz	LHIGVIXUPASTOJ-WIYYLYMNSA-N	1	0	353.466	1.339	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]2C)cc1	ZINC001080244948	904996440	/nfs/dbraw/zinc/99/64/40/904996440.db2.gz	SSCQMZACBJCMDU-LZQZEXGQSA-N	1	0	353.466	1.727	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)C(=O)Nc3ccc(OC)cc3)CCC[C@@H]12	ZINC001107464977	905030362	/nfs/dbraw/zinc/03/03/62/905030362.db2.gz	CDZZFJQCYQDZOE-YLJYHZDGSA-N	1	0	355.438	1.628	20	30		FDEDRO
N#Cc1ccc(CNC(=O)CONC(=[NH2+])[C@@H]2COc3ccccc3O2)cc1	ZINC000764573733	905053600	/nfs/dbraw/zinc/05/36/00/905053600.db2.gz	FSFHLCTXVJOUHH-KRWDZBQOSA-N	1	0	366.377	1.513	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CCC)S(N)(=O)=O)CCC[C@@H]12	ZINC001107485236	905161363	/nfs/dbraw/zinc/16/13/63/905161363.db2.gz	QDSQZBNXEYGGPE-BFYDXBDKSA-N	1	0	357.520	1.381	20	30		FDEDRO
C[C@@H](CC(N)=O)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccc(C#N)cc1)CC2	ZINC001107500119	905236509	/nfs/dbraw/zinc/23/65/09/905236509.db2.gz	VTQVBPRJCPCYLL-RRMPHLOHSA-N	1	0	368.481	1.931	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cnc3sccn3c2=O)[C@H](OC)C1	ZINC001081913064	905286148	/nfs/dbraw/zinc/28/61/48/905286148.db2.gz	GBNSRDOMIIZFGT-ZIAGYGMSSA-N	1	0	362.455	1.151	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](F)CC)CCC[C@@H]12	ZINC001107507520	905293094	/nfs/dbraw/zinc/29/30/94/905293094.db2.gz	CPFCGYAPEHVJSL-HBUWYVDXSA-N	1	0	368.453	1.107	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3ncccc3OC)CCC[C@@H]12	ZINC001107520652	905343093	/nfs/dbraw/zinc/34/30/93/905343093.db2.gz	BHHYONQFQFFTTO-TZIWHRDSSA-N	1	0	371.481	1.643	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](Cc3ccnc(N(C)C)c3)C[C@H]2C)c1	ZINC001080408343	905372459	/nfs/dbraw/zinc/37/24/59/905372459.db2.gz	DPZUQOYNJNYEPH-DNVCBOLYSA-N	1	0	363.465	1.774	20	30		FDEDRO
COc1ccc(CN2C[C@@H](C)[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cc1C#N	ZINC001080447029	905450736	/nfs/dbraw/zinc/45/07/36/905450736.db2.gz	VAJQXKFRLNXAKV-GPMSIDNRSA-N	1	0	370.497	1.845	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C(N)=O)co3)CCC[C@@H]12	ZINC001107544237	905479644	/nfs/dbraw/zinc/47/96/44/905479644.db2.gz	SWGKUOJIGBQRGI-VQIMIIECSA-N	1	0	361.442	1.556	20	30		FDEDRO
CC(F)(F)C1(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)CC1	ZINC001107550693	905503350	/nfs/dbraw/zinc/50/33/50/905503350.db2.gz	IRIGSEOPUNRRAK-CXAGYDPISA-N	1	0	368.428	1.422	20	30		FDEDRO
CC(=O)Nc1ccccc1C(F)(F)C(=O)NC1(C#N)CC[NH+](C)CC1	ZINC001127793709	905565154	/nfs/dbraw/zinc/56/51/54/905565154.db2.gz	ORDWVNXTARYLKT-UHFFFAOYSA-N	1	0	350.369	1.841	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)c1ccnnc1	ZINC001080499544	905582188	/nfs/dbraw/zinc/58/21/88/905582188.db2.gz	CQDZBZSXJQOHQO-RDTXWAMCSA-N	1	0	351.410	1.629	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3coc(C4CC4)n3)CCC[C@@H]12	ZINC001107570049	905692022	/nfs/dbraw/zinc/69/20/22/905692022.db2.gz	RLMKWJLBJQQDGZ-DNVCBOLYSA-N	1	0	371.441	1.166	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCCC3CCOCC3)C[C@H]2C)nn1	ZINC001080580027	905736233	/nfs/dbraw/zinc/73/62/33/905736233.db2.gz	FJDUFTQYWCPUJN-NVXWUHKLSA-N	1	0	361.490	1.721	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](CCO[C@H]3CC3(F)F)C[C@H]2C)nn1	ZINC001080589937	905757702	/nfs/dbraw/zinc/75/77/02/905757702.db2.gz	UKNZGOSAOFVSOZ-NFAWXSAZSA-N	1	0	369.416	1.329	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@]3(C)CCCS3(=O)=O)CCC[C@@H]12	ZINC001107576866	905767310	/nfs/dbraw/zinc/76/73/10/905767310.db2.gz	FRAHOSHCQRBYJP-KBAYOESNSA-N	1	0	354.516	1.891	20	30		FDEDRO
CCn1nc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)ccc1=O	ZINC001080637771	905867580	/nfs/dbraw/zinc/86/75/80/905867580.db2.gz	ZOLCIJFUBAGCCM-RDTXWAMCSA-N	1	0	365.437	1.385	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)COCc3nncn3C)CCC[C@@H]12	ZINC001107593760	905876386	/nfs/dbraw/zinc/87/63/86/905876386.db2.gz	VQAGMLNCPVCPCR-RHSMWYFYSA-N	1	0	367.881	1.445	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3c4c(nn3C)CCC4)CCC[C@@H]12	ZINC001107607091	905921217	/nfs/dbraw/zinc/92/12/17/905921217.db2.gz	OCUQGGAHOBGTCG-WIYYLYMNSA-N	1	0	370.497	1.533	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)CCCC(=O)NCC)CCC[C@@H]12	ZINC001107612143	905976239	/nfs/dbraw/zinc/97/62/39/905976239.db2.gz	SZCNKQIOPFRYJR-YLJYHZDGSA-N	1	0	365.518	1.856	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)c3cccs3)CCC[C@@H]12	ZINC001107625220	906036586	/nfs/dbraw/zinc/03/65/86/906036586.db2.gz	LBGNREANICMALZ-VQIMIIECSA-N	1	0	359.495	1.862	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCN(C(C)=O)C3)CCC[C@@H]12	ZINC001107620449	906056827	/nfs/dbraw/zinc/05/68/27/906056827.db2.gz	OTPNJSIJZNZXQW-QWFCFKBJSA-N	1	0	363.502	1.418	20	30		FDEDRO
NC(=O)NCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2	ZINC001107628373	906100293	/nfs/dbraw/zinc/10/02/93/906100293.db2.gz	USPBWDDBGNDJGR-WIYYLYMNSA-N	1	0	368.481	1.457	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)NC(=O)NC)CCC[C@@H]12	ZINC001107644671	906168444	/nfs/dbraw/zinc/16/84/44/906168444.db2.gz	DZIUCHJMHDPMDO-DNVCBOLYSA-N	1	0	366.506	1.257	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CCCc3ccsc3)C[C@H]2O)c1	ZINC001077648232	906205991	/nfs/dbraw/zinc/20/59/91/906205991.db2.gz	ACVNXWQEHRYEPX-QZTJIDSGSA-N	1	0	355.463	1.532	20	30		FDEDRO
C[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001080780818	906250583	/nfs/dbraw/zinc/25/05/83/906250583.db2.gz	DHTOTQXANVUIPZ-YVWKXTFCSA-N	1	0	357.473	1.956	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)CS(C)(=O)=O)CCC[C@@H]12	ZINC001107647608	906271703	/nfs/dbraw/zinc/27/17/03/906271703.db2.gz	RLEXVKVMECCFJR-JFIYKMOQSA-N	1	0	356.532	1.994	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1C	ZINC001080805342	906288578	/nfs/dbraw/zinc/28/85/78/906288578.db2.gz	NDDFCUMAAJJIRA-JFIYKMOQSA-N	1	0	357.454	1.713	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+](C[C@H](OC)C2CCC2)C[C@H]1C	ZINC001080806991	906291272	/nfs/dbraw/zinc/29/12/72/906291272.db2.gz	QQYAOENZBBVKKJ-LZQZEXGQSA-N	1	0	371.481	1.959	20	30		FDEDRO
C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2	ZINC001080787565	906313400	/nfs/dbraw/zinc/31/34/00/906313400.db2.gz	HKTODVWWBNODBV-RDTXWAMCSA-N	1	0	356.445	1.730	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C(N)=O)cc3)C[C@H]2C)cn1	ZINC001080810443	906361876	/nfs/dbraw/zinc/36/18/76/906361876.db2.gz	LUGBKEYTTZZYQF-AUUYWEPGSA-N	1	0	362.433	1.412	20	30		FDEDRO
C=CC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2	ZINC000996965812	906737604	/nfs/dbraw/zinc/73/76/04/906737604.db2.gz	DXBAVAYTBSYUOC-PVAVHDDUSA-N	1	0	373.501	1.519	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)N2CCC(C)CC2)CC1	ZINC000997010951	906923474	/nfs/dbraw/zinc/92/34/74/906923474.db2.gz	DYPLNFQEKKKWHI-MSOLQXFVSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1OC	ZINC001082345223	906933568	/nfs/dbraw/zinc/93/35/68/906933568.db2.gz	AMIMUWKGHSTDDY-XUVXKRRUSA-N	1	0	370.493	1.841	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@H]1OC	ZINC001082345704	906938474	/nfs/dbraw/zinc/93/84/74/906938474.db2.gz	XNUCYOGVSWPZTD-DUXKGJEZSA-N	1	0	370.493	1.843	20	30		FDEDRO
COc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2c2ccccc2)on1	ZINC001081098567	907163456	/nfs/dbraw/zinc/16/34/56/907163456.db2.gz	HWOUTGMBLUGYBA-XOKHGSTOSA-N	1	0	354.410	1.927	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C[C@H]1c1ccccc1	ZINC001081124580	907184871	/nfs/dbraw/zinc/18/48/71/907184871.db2.gz	MIJRVCUPZNCQKP-GBESFXJTSA-N	1	0	367.493	1.851	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1c1ccccc1	ZINC001081124621	907185104	/nfs/dbraw/zinc/18/51/04/907185104.db2.gz	OVSNDOAMLWZUGU-YESZJQIVSA-N	1	0	361.873	1.801	20	30		FDEDRO
CO[C@@H]1CN(Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C[NH+]1CCCC1	ZINC001082371012	907229840	/nfs/dbraw/zinc/22/98/40/907229840.db2.gz	OHGMKKWBJOVQPT-QZTJIDSGSA-N	1	0	360.433	1.109	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C[NH+]1CCCC1	ZINC001082371089	907232888	/nfs/dbraw/zinc/23/28/88/907232888.db2.gz	SHJFCONIXAQDHR-QZTJIDSGSA-N	1	0	360.433	1.109	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+][C@@H]2CCN(C(C)C)C2=O)CC1	ZINC000997084699	907233319	/nfs/dbraw/zinc/23/33/19/907233319.db2.gz	OSEVSDIDFNUZOI-KSZLIROESA-N	1	0	363.502	1.558	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@H]2c2ccccc2)ccc1F	ZINC001081171072	907295955	/nfs/dbraw/zinc/29/59/55/907295955.db2.gz	CAYMXPIDRHEFQA-FUHWJXTLSA-N	1	0	366.396	1.267	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1c1ccccc1	ZINC001081127038	907311312	/nfs/dbraw/zinc/31/13/12/907311312.db2.gz	RRFWQRMPFBOQOL-ZWKOTPCHSA-N	1	0	357.454	1.006	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C2CCN(C(N)=O)CC2)C[C@H]1c1ccccc1	ZINC001081224176	907335403	/nfs/dbraw/zinc/33/54/03/907335403.db2.gz	GYLIVQUKQZYNHR-ZWKOTPCHSA-N	1	0	356.470	1.547	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N2CCCC2=O)C[C@H]1c1ccccc1	ZINC001081233167	907433882	/nfs/dbraw/zinc/43/38/82/907433882.db2.gz	UUHPWQKOIACQMZ-QKNQBKEWSA-N	1	0	367.493	1.851	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3Cc2cc(F)ccc2C#N)CC[N@@H+]1C	ZINC001032410581	907889774	/nfs/dbraw/zinc/88/97/74/907889774.db2.gz	KKKFNJOLFBMMCG-WEZQJLTASA-N	1	0	356.445	1.823	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C)C(=O)N1CCCCC1	ZINC001082464886	907900056	/nfs/dbraw/zinc/90/00/56/907900056.db2.gz	PBABJFKLXOLYKD-JKIFEVAISA-N	1	0	357.458	1.337	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@H]1C	ZINC001082472701	907923604	/nfs/dbraw/zinc/92/36/04/907923604.db2.gz	YNUZQEOVILYICG-UKPHBRMFSA-N	1	0	370.453	1.030	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2cc(C)ncn2)C[C@H]1C	ZINC001082478850	907945200	/nfs/dbraw/zinc/94/52/00/907945200.db2.gz	XHZYBMUCDLTPBB-FZKQIMNGSA-N	1	0	365.437	1.916	20	30		FDEDRO
Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC001082480281	907949020	/nfs/dbraw/zinc/94/90/20/907949020.db2.gz	VEONIZOSGVECMH-IAQYHMDHSA-N	1	0	359.455	1.168	20	30		FDEDRO
CNC(=O)c1cccc(C[NH2+][C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)c1	ZINC001082480402	907950183	/nfs/dbraw/zinc/95/01/83/907950183.db2.gz	KAJKIBMZLNRTJP-FZKQIMNGSA-N	1	0	365.437	1.496	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1)n1cncn1	ZINC001082481744	907956429	/nfs/dbraw/zinc/95/64/29/907956429.db2.gz	NMANYXLAFWOWFC-IIYDPXPESA-N	1	0	356.405	1.487	20	30		FDEDRO
CCn1nncc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1	ZINC001082501756	908094898	/nfs/dbraw/zinc/09/48/98/908094898.db2.gz	NDKKSQUUADWKLY-MLGOLLRUSA-N	1	0	356.405	1.559	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2n[nH]cc2C)C[C@H]1C	ZINC001082504488	908113427	/nfs/dbraw/zinc/11/34/27/908113427.db2.gz	ZRJWYAYQNQEELZ-CZUORRHYSA-N	1	0	353.426	1.849	20	30		FDEDRO
Cc1ccc(N2CC[C@@H]([NH2+][C@@H]3CN(C(=O)C#CC4CC4)C[C@H]3C)C2=O)cc1	ZINC001082504711	908116468	/nfs/dbraw/zinc/11/64/68/908116468.db2.gz	AJUPCOMNQKIRFJ-NSISKUIASA-N	1	0	365.477	1.950	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082518416	908203324	/nfs/dbraw/zinc/20/33/24/908203324.db2.gz	OIQMAKBPYHHRQT-XHSVMWQWSA-N	1	0	372.444	1.549	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(C#N)[nH]1	ZINC000997337303	908261994	/nfs/dbraw/zinc/26/19/94/908261994.db2.gz	NLAAFEZYSIOWLI-LAVFITLUSA-N	1	0	369.469	1.622	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(C)on2)CC1	ZINC000997356330	908310951	/nfs/dbraw/zinc/31/09/51/908310951.db2.gz	CSAAOOBGYUACCE-RYRKJORJSA-N	1	0	370.453	1.190	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C(=O)C(C)(C)C)CC1	ZINC000997356407	908310998	/nfs/dbraw/zinc/31/09/98/908310998.db2.gz	DQNNFOHRFFPQOA-IKGGRYGDSA-N	1	0	373.497	1.195	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccsn2)CC1	ZINC000997357014	908324219	/nfs/dbraw/zinc/32/42/19/908324219.db2.gz	INQJXYWBKWZTLU-PVAVHDDUSA-N	1	0	372.494	1.350	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C(C)(F)F)CC1	ZINC000997357587	908326153	/nfs/dbraw/zinc/32/61/53/908326153.db2.gz	NHWSHQITKPUDFX-ILXRZTDVSA-N	1	0	353.413	1.235	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](C)C2CC2)CC1	ZINC000997357853	908326304	/nfs/dbraw/zinc/32/63/04/908326304.db2.gz	QVVCGCACSSCAIO-VLQPXKRTSA-N	1	0	357.498	1.626	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)cc(F)c2)C1	ZINC001082567970	908704239	/nfs/dbraw/zinc/70/42/39/908704239.db2.gz	OTUJAFFIBNZKBT-ZMYBRWDISA-N	1	0	361.436	1.999	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)Cc3cnccc3C)C[C@H]2C)C1=O	ZINC001082568298	908708296	/nfs/dbraw/zinc/70/82/96/908708296.db2.gz	LMOYASDWUKGMRZ-KBAYOESNSA-N	1	0	356.470	1.156	20	30		FDEDRO
Cc1ncn(C)c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC001082575794	908739961	/nfs/dbraw/zinc/73/99/61/908739961.db2.gz	BAJRHONKTKZBDW-SJKOYZFVSA-N	1	0	355.417	1.990	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCNC(=O)C2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082589748	908842414	/nfs/dbraw/zinc/84/24/14/908842414.db2.gz	NGZKAKCYIPITLT-WIBUTAKZSA-N	1	0	354.454	1.411	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cnc4cc[nH]c4c3)C[C@H]2C)C1=O	ZINC001082583420	908884573	/nfs/dbraw/zinc/88/45/73/908884573.db2.gz	RONWLQXCYVMKGK-RPVQJOFSSA-N	1	0	367.453	1.400	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cnc4cc[nH]c4c3)C[C@H]2C)C1=O	ZINC001082583419	908885682	/nfs/dbraw/zinc/88/56/82/908885682.db2.gz	RONWLQXCYVMKGK-MZMPZRCHSA-N	1	0	367.453	1.400	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2(C(=O)OCC)CCOCC2)CC1	ZINC000888349266	908896675	/nfs/dbraw/zinc/89/66/75/908896675.db2.gz	NQPOLCJOHKKWDN-HNNXBMFYSA-N	1	0	350.459	1.196	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2nc(C)c(C)[nH]c2=O)C[C@H]1C	ZINC001082585478	908900045	/nfs/dbraw/zinc/90/00/45/908900045.db2.gz	KNCHISUNHNZBEE-PRHODGIISA-N	1	0	369.263	1.345	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCc3cncn3C2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082604430	908926189	/nfs/dbraw/zinc/92/61/89/908926189.db2.gz	PEDOAUUIIXXXTE-XFQXTVEOSA-N	1	0	363.465	1.954	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082599688	908959113	/nfs/dbraw/zinc/95/91/13/908959113.db2.gz	FLSZCXYSXNIAME-RDTXWAMCSA-N	1	0	350.422	1.507	20	30		FDEDRO
CCN1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001082608413	908985383	/nfs/dbraw/zinc/98/53/83/908985383.db2.gz	VWFQZCIKOGPTTD-ATZDWAIDSA-N	1	0	356.470	1.215	20	30		FDEDRO
C=CCn1c(Cc2ccccn2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000282163114	909173933	/nfs/dbraw/zinc/17/39/33/909173933.db2.gz	DARLGIBMINSHQK-KRWDZBQOSA-N	1	0	368.485	1.608	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccnc3n[nH]nc32)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082634759	909219721	/nfs/dbraw/zinc/21/97/21/909219721.db2.gz	CPIHRQHWCHBWQD-QMTHXVAHSA-N	1	0	367.438	1.536	20	30		FDEDRO
C[C@H](NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C1CCN(CC#N)CC1	ZINC000997589371	909268628	/nfs/dbraw/zinc/26/86/28/909268628.db2.gz	OJAXESYXINZCIY-IPELMVKDSA-N	1	0	362.518	1.474	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc3nnnn3c2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082641018	909269750	/nfs/dbraw/zinc/26/97/50/909269750.db2.gz	MEIRZFAQUFFBTF-CXAGYDPISA-N	1	0	361.409	1.246	20	30		FDEDRO
Cc1cncn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1	ZINC001082646287	909311638	/nfs/dbraw/zinc/31/16/38/909311638.db2.gz	JZGNZBOUWCVZFS-DNVCBOLYSA-N	1	0	367.453	1.731	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3c(C)cc(C)nc3C)C[C@H]2C)C1=O	ZINC001082654932	909340948	/nfs/dbraw/zinc/34/09/48/909340948.db2.gz	XCQKQKVSAPMOKM-FHLIZLRMSA-N	1	0	370.497	1.844	20	30		FDEDRO
C=C(C)CNCc1nnc2n1CC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2	ZINC001127990751	909384405	/nfs/dbraw/zinc/38/44/05/909384405.db2.gz	JQRZMXYTDIGTDT-OWCLPIDISA-N	1	0	360.506	1.105	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2COCCN2CC2CCC2)C[C@H]1C	ZINC001082664007	909405798	/nfs/dbraw/zinc/40/57/98/909405798.db2.gz	RQBUTDPQQGBJON-XYPHTWIQSA-N	1	0	355.910	1.676	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082658931	909427754	/nfs/dbraw/zinc/42/77/54/909427754.db2.gz	IXKOVWKQENMHAG-CZUORRHYSA-N	1	0	357.483	1.923	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cn(C(C)C)cn3)C[C@H]2C)C1=O	ZINC001082665136	909450179	/nfs/dbraw/zinc/45/01/79/909450179.db2.gz	ZHQRYCGKBSPDLY-BZUAXINKSA-N	1	0	359.474	1.301	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)C[C@@H]1O	ZINC001083790212	909520883	/nfs/dbraw/zinc/52/08/83/909520883.db2.gz	VNBGKOGICLWUNM-LMCOJAPRSA-N	1	0	367.449	1.487	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCS2(=O)=O)C1	ZINC001082682092	909600924	/nfs/dbraw/zinc/60/09/24/909600924.db2.gz	UUKAIHPVVLOVJF-HUUCEWRRSA-N	1	0	357.520	1.061	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cncnc2)C[C@H]1C	ZINC001082702270	909620547	/nfs/dbraw/zinc/62/05/47/909620547.db2.gz	WMKRYVKHAJVPER-MPKXVKKWSA-N	1	0	353.264	1.925	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1C	ZINC001082699593	909671004	/nfs/dbraw/zinc/67/10/04/909671004.db2.gz	JCRYCUWIYPVFHI-CXAGYDPISA-N	1	0	354.410	1.734	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[NH2+][C@@H](C)c2nnc(C)[nH]2)CC1	ZINC000997782832	909691927	/nfs/dbraw/zinc/69/19/27/909691927.db2.gz	YWIPOTQKROGSET-XKQJLSEDSA-N	1	0	361.490	1.984	20	30		FDEDRO
CC(C)N1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)C1	ZINC001082703463	909698520	/nfs/dbraw/zinc/69/85/20/909698520.db2.gz	VTXLGHNHKPOLSQ-NSISKUIASA-N	1	0	370.497	1.604	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc[nH]c3C3CC3)C[C@H]2C)C1=O	ZINC001082709124	909751193	/nfs/dbraw/zinc/75/11/93/909751193.db2.gz	ITSHZCLLSVKYML-KBRIMQKVSA-N	1	0	356.470	1.729	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)Cc3cccc(C)c3)C[C@H]2C)C1=O	ZINC001082716231	909798470	/nfs/dbraw/zinc/79/84/70/909798470.db2.gz	UASMBQQKOBMNTJ-BHIYHBOVSA-N	1	0	355.482	1.761	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1C	ZINC001082724694	909840636	/nfs/dbraw/zinc/84/06/36/909840636.db2.gz	BSGLAQGHXBOWNU-IAQYHMDHSA-N	1	0	357.389	1.679	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082737711	909915508	/nfs/dbraw/zinc/91/55/08/909915508.db2.gz	LGLGITVSNLZJHW-SMNXXWJPSA-N	1	0	358.417	1.160	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082746086	909975657	/nfs/dbraw/zinc/97/56/57/909975657.db2.gz	IMAAILIOINXDGU-PIGZYNQJSA-N	1	0	369.400	1.375	20	30		FDEDRO
Cc1ccnn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1	ZINC001082771038	910082963	/nfs/dbraw/zinc/08/29/63/910082963.db2.gz	CEMSWSHYPLTZTQ-FZKQIMNGSA-N	1	0	355.417	1.839	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccn(C(C)C)n3)C[C@H]2C)C1=O	ZINC001082776330	910108092	/nfs/dbraw/zinc/10/80/92/910108092.db2.gz	VHCREQWXOVUYEE-HLLBOEOZSA-N	1	0	359.474	1.301	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccc4cccnn43)C[C@H]2C)C1=O	ZINC001082789782	910153327	/nfs/dbraw/zinc/15/33/27/910153327.db2.gz	UKUIWZJSKCYPEL-DJIMGWMZSA-N	1	0	367.453	1.171	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nccn3CC)C2)nn1	ZINC001082795644	910180415	/nfs/dbraw/zinc/18/04/15/910180415.db2.gz	BNRBGNRMGOZOFF-HUUCEWRRSA-N	1	0	357.462	1.321	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccnn2C)C1	ZINC001082795299	910180571	/nfs/dbraw/zinc/18/05/71/910180571.db2.gz	PWJLFPGFPQXGIJ-LULLPPNCSA-N	1	0	360.502	1.770	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cncc(F)c3)C2)nn1	ZINC001082796036	910184708	/nfs/dbraw/zinc/18/47/08/910184708.db2.gz	PYPNCMJZOYHSRI-CZUORRHYSA-N	1	0	358.421	1.639	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H](C)c3cnc(C)cn3)C2)nn1	ZINC001082791301	910193850	/nfs/dbraw/zinc/19/38/50/910193850.db2.gz	KPBOJUZGRMOISZ-XNRPHZJLSA-N	1	0	355.446	1.374	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1	ZINC000998046270	910234013	/nfs/dbraw/zinc/23/40/13/910234013.db2.gz	OCGVGUIERSJUOI-KFWWJZLASA-N	1	0	362.392	1.669	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CC2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)cc1	ZINC000998076651	910300374	/nfs/dbraw/zinc/30/03/74/910300374.db2.gz	BRYVRIMFUZZZHE-MOPGFXCFSA-N	1	0	368.481	1.788	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2cnn(C)c2)C[C@H]1C	ZINC001082830331	910354263	/nfs/dbraw/zinc/35/42/63/910354263.db2.gz	JBUVQJRLDSDSPG-LALPHHSUSA-N	1	0	369.307	1.944	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2cnccc2=O)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082830996	910357933	/nfs/dbraw/zinc/35/79/33/910357933.db2.gz	NECMUPHMVPRSFX-CRAIPNDOSA-N	1	0	365.437	1.142	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnns2)C1	ZINC001082850961	910459498	/nfs/dbraw/zinc/45/94/98/910459498.db2.gz	FTTYWWVBQNBUQU-TZMCWYRMSA-N	1	0	359.455	1.748	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCn3nc(C)cc3C)C2)nc1	ZINC001082870237	910517499	/nfs/dbraw/zinc/51/74/99/910517499.db2.gz	JDROYLRIKLXYNB-AUUYWEPGSA-N	1	0	351.454	1.627	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H]3CCN(C(C)C)C3=O)C2)nc1	ZINC001082870462	910519867	/nfs/dbraw/zinc/51/98/67/910519867.db2.gz	YJAVTIHUTAPKJW-ZTFGCOKTSA-N	1	0	354.454	1.122	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1	ZINC000998177483	910546383	/nfs/dbraw/zinc/54/63/83/910546383.db2.gz	GXQOFOBVKMDUKZ-LAQRGFTBSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)C(C)(C)C(F)(F)F)C[C@H]2C)C1=O	ZINC001082875023	910572924	/nfs/dbraw/zinc/57/29/24/910572924.db2.gz	RPNVRMDMFVTEBG-JHJVBQTASA-N	1	0	361.408	1.798	20	30		FDEDRO
N#C[C@H](C(=O)CN1CC[C@H]([NH+]2CCCC2)C1)c1nc2ccccc2c(=O)[nH]1	ZINC000727158974	910580950	/nfs/dbraw/zinc/58/09/50/910580950.db2.gz	CQHMNGWTLJSGHU-GOEBONIOSA-N	1	0	365.437	1.682	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cccc(N(C)C)c3)C[C@H]2C)C1=O	ZINC001082882303	910642675	/nfs/dbraw/zinc/64/26/75/910642675.db2.gz	OJCBHIJWWDOUTD-AYOQOUSVSA-N	1	0	370.497	1.590	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2)CC1	ZINC000727369415	910810968	/nfs/dbraw/zinc/81/09/68/910810968.db2.gz	DXOHXKCDOAGUTM-QGZVFWFLSA-N	1	0	357.479	1.872	20	30		FDEDRO
Cc1nccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC001082922398	910927352	/nfs/dbraw/zinc/92/73/52/910927352.db2.gz	AVKGTVJKKFYAQW-FZKQIMNGSA-N	1	0	355.417	1.839	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2noc3c2COCC3)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082933508	910985462	/nfs/dbraw/zinc/98/54/62/910985462.db2.gz	UFSALVONHXYVHY-CXAGYDPISA-N	1	0	366.421	1.869	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)COc2cccc(C(N)=O)c2)C[C@H]1C	ZINC001082939836	911003417	/nfs/dbraw/zinc/00/34/17/911003417.db2.gz	MKGDRNLZOKPMGN-IAQYHMDHSA-N	1	0	351.834	1.353	20	30		FDEDRO
C=C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)c1ccccc1	ZINC001082936842	911019467	/nfs/dbraw/zinc/01/94/67/911019467.db2.gz	AVFCCJCCVGNMPN-BPQIPLTHSA-N	1	0	369.465	1.542	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)C2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082944590	911059622	/nfs/dbraw/zinc/05/96/22/911059622.db2.gz	BZOPGHAHLJAZQN-ZTFGCOKTSA-N	1	0	354.454	1.363	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnnn3C)C2)cc1	ZINC001082948313	911084976	/nfs/dbraw/zinc/08/49/76/911084976.db2.gz	TYJKULWHZQLNAR-DNVCBOLYSA-N	1	0	369.469	1.559	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2[nH]cnc2C)C[C@H]1C	ZINC001082963117	911164033	/nfs/dbraw/zinc/16/40/33/911164033.db2.gz	RDJINKMMJWZCSC-MLGOLLRUSA-N	1	0	353.426	1.849	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC(F)(F)F)c2)[C@H](OC)C1	ZINC001212407876	911596827	/nfs/dbraw/zinc/59/68/27/911596827.db2.gz	HDGNUXUBNDRWBR-ZIAGYGMSSA-N	1	0	360.380	1.841	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ncnn2C(C)C)C1	ZINC000998788254	911674485	/nfs/dbraw/zinc/67/44/85/911674485.db2.gz	QPEXJWYUEWLZGV-BACDZXNISA-N	1	0	361.490	1.919	20	30		FDEDRO
O=C(c1cccc(=O)[nH]1)N1CCO[C@@H]2CN(CC#Cc3ccccc3)C[C@@H]21	ZINC001083037437	911743842	/nfs/dbraw/zinc/74/38/42/911743842.db2.gz	OLOJTVRFVKCMGY-RBUKOAKNSA-N	1	0	363.417	1.364	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](CC)[NH+](C)C	ZINC000999014230	911967379	/nfs/dbraw/zinc/96/73/79/911967379.db2.gz	FUXGLDPPIYGCEN-WCIQWLHISA-N	1	0	367.493	1.799	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4ncncc4C3)[C@H]2C1	ZINC001083102996	912027020	/nfs/dbraw/zinc/02/70/20/912027020.db2.gz	JGNSGJDASUBEOH-ZYSHUDEJSA-N	1	0	356.470	1.459	20	30		FDEDRO
C=C(Cl)CN1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@H]2C1	ZINC001083104524	912031767	/nfs/dbraw/zinc/03/17/67/912031767.db2.gz	GUEJHBICYBIZSP-IXDOHACOSA-N	1	0	355.910	1.628	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cn(C)c4ccc(F)cc34)[C@H]2C1	ZINC001083107508	912054151	/nfs/dbraw/zinc/05/41/51/912054151.db2.gz	ISGSBTXKEJIKKW-RBUKOAKNSA-N	1	0	355.413	1.866	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCN(C)c4ccccc43)[C@H]2C1	ZINC001083109433	912074576	/nfs/dbraw/zinc/07/45/76/912074576.db2.gz	YKXDMFWHNWUQHH-YSIASYRMSA-N	1	0	353.466	1.545	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3c(C)cc4ccccc43)[C@H]2C1	ZINC001083135645	912174537	/nfs/dbraw/zinc/17/45/37/912174537.db2.gz	MEIRHBSJCDAJNU-VQTJNVASSA-N	1	0	351.450	1.885	20	30		FDEDRO
CN1CC[C@@H](C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)C1=O	ZINC001084589776	915513470	/nfs/dbraw/zinc/51/34/70/915513470.db2.gz	OUECGVNAXZPYCY-KZNAEPCWSA-N	1	0	352.438	1.069	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(CO)cc4)C[C@H]32)cn1	ZINC001084784174	917092872	/nfs/dbraw/zinc/09/28/72/917092872.db2.gz	DBFRARGDTVJGHS-TZIWHRDSSA-N	1	0	361.445	1.902	20	30		FDEDRO
C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(Cc4ccc(C#N)c(F)c4)C[C@H]32)C1	ZINC001084830547	917508427	/nfs/dbraw/zinc/50/84/27/917508427.db2.gz	YUJAZCUTIVMIAA-ZHALLVOQSA-N	1	0	356.445	1.682	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)c4ccc(=O)[nH]n4)C[C@@H]32)s1	ZINC001084883820	917969865	/nfs/dbraw/zinc/96/98/65/917969865.db2.gz	DKVWVTVFRVWPJW-WBMJQRKESA-N	1	0	369.450	1.852	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)C(=O)C(C)(C)C)C[C@@H]32)C1=O	ZINC001084907880	918211634	/nfs/dbraw/zinc/21/16/34/918211634.db2.gz	BTTLLPAWHAQKOA-JYJNAYRXSA-N	1	0	361.486	1.311	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CCNC(=O)C4)C[C@@H]32)cc1	ZINC001084919575	918316520	/nfs/dbraw/zinc/31/65/20/918316520.db2.gz	AZVANPCTRRAILC-QRVBRYPASA-N	1	0	366.465	1.507	20	30		FDEDRO
Cn1cc(CC[N@@H+]2CC[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]32)cn1	ZINC001084925601	918358384	/nfs/dbraw/zinc/35/83/84/918358384.db2.gz	JOZSNJIWHFLHKI-QAPCUYQASA-N	1	0	352.442	1.399	20	30		FDEDRO
CN1C[C@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4ccccc4C#N)[C@H]3C2)CC1=O	ZINC001084952637	918726548	/nfs/dbraw/zinc/72/65/48/918726548.db2.gz	BIUUXSGKZLJBFR-LZQZEXGQSA-N	1	0	366.465	1.459	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(OCC(N)=O)c3)C[C@@H]21	ZINC001084953414	918737214	/nfs/dbraw/zinc/73/72/14/918737214.db2.gz	KEQUBIBBLCUBJR-QAPCUYQASA-N	1	0	355.438	1.110	20	30		FDEDRO
COc1ccc(C=NNC(=S)NCCC[NH+](C)C)c(OC)c1OC	ZINC000731928257	918845248	/nfs/dbraw/zinc/84/52/48/918845248.db2.gz	HHNBRVILNPPGMU-UHFFFAOYSA-N	1	0	354.476	1.462	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(C)nc3C)[C@H]2C1	ZINC001084960937	918905431	/nfs/dbraw/zinc/90/54/31/918905431.db2.gz	ABKFJBYSCVLHAW-HOJAQTOUSA-N	1	0	369.513	1.249	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3nccnc3C)[C@H]2C1	ZINC001084961293	918910190	/nfs/dbraw/zinc/91/01/90/918910190.db2.gz	ZHXRCCUUHWEKMW-HOJAQTOUSA-N	1	0	367.497	1.305	20	30		FDEDRO
C=CCOc1ccc(/C=C\C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1OC	ZINC000732150077	919150524	/nfs/dbraw/zinc/15/05/24/919150524.db2.gz	WBNCKHXTLJAZHT-NBEHIINDSA-N	1	0	359.470	1.635	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)CC1	ZINC000732248694	919258983	/nfs/dbraw/zinc/25/89/83/919258983.db2.gz	HGLNQLPEVQHCIZ-KRWDZBQOSA-N	1	0	370.497	1.678	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(Cn4ccnn4)o3)C[C@@H]21	ZINC001084995621	919341633	/nfs/dbraw/zinc/34/16/33/919341633.db2.gz	QFVOLDMHFJCEDW-WBVHZDCISA-N	1	0	353.426	1.479	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3nc(C)n(-c4nc[nH]n4)n3)C[C@@H]21	ZINC001085002306	919483542	/nfs/dbraw/zinc/48/35/42/919483542.db2.gz	XBUZNPUWDGKYOX-CABCVRRESA-N	1	0	370.461	1.196	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)[C@H]2C1	ZINC001085006031	919567780	/nfs/dbraw/zinc/56/77/80/919567780.db2.gz	UWIFXFIKYFIDOH-CVEARBPZSA-N	1	0	361.486	1.661	20	30		FDEDRO
CC(C)(C)[NH+]1CCC(NC(=O)NCCNC(=O)C2N=CC=CC2=O)CC1	ZINC000732447263	919620420	/nfs/dbraw/zinc/62/04/20/919620420.db2.gz	CFXSTPYEWQPCKH-NXVVXOECSA-N	1	0	363.462	1.075	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCCC4)O3)C[C@@H]21	ZINC001085031655	919886568	/nfs/dbraw/zinc/88/65/68/919886568.db2.gz	KKHFRKLUQRFUIU-HCXYKTFWSA-N	1	0	373.497	1.103	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@H]32)cc1F	ZINC001085034683	919913049	/nfs/dbraw/zinc/91/30/49/919913049.db2.gz	HZFDJEINMPMCIB-KBEGMRNHSA-N	1	0	370.428	1.242	20	30		FDEDRO
C[NH+]1CCN(c2ccccc2NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1	ZINC000732675140	919960458	/nfs/dbraw/zinc/96/04/58/919960458.db2.gz	QBQHWBJGOQFYFP-KRWDZBQOSA-N	1	0	368.485	1.642	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3CC[N@H+](C[C@@H]4CCCOC4)[C@H]3C2)nn1	ZINC001085051907	920101158	/nfs/dbraw/zinc/10/11/58/920101158.db2.gz	QHUXXKGVJVLFGI-JZXOWHBKSA-N	1	0	359.474	1.427	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cnoc4C)[C@H]3C2)nn1	ZINC001085053427	920124345	/nfs/dbraw/zinc/12/43/45/920124345.db2.gz	UOOXKEWDIVHAMB-QAPCUYQASA-N	1	0	370.457	1.887	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CC[C@H]3CC[N@@H+](C[C@@H](CC)OC)[C@H]3C2)nn1	ZINC001085053509	920125924	/nfs/dbraw/zinc/12/59/24/920125924.db2.gz	ZHBCOGISOOVJHH-NUJGCVRESA-N	1	0	361.490	1.816	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCCS(=O)(=O)C3)C[C@@H]21	ZINC001085069621	920439047	/nfs/dbraw/zinc/43/90/47/920439047.db2.gz	XPHAWUABNLGHEH-ZACQAIPSSA-N	1	0	354.516	1.700	20	30		FDEDRO
COC(=O)CC[N@H+](CN1CC(=O)N(Cc2ccccc2C#N)C1=O)C(C)C	ZINC000733184361	920765516	/nfs/dbraw/zinc/76/55/16/920765516.db2.gz	QAHUQROJAWGCSI-UHFFFAOYSA-N	1	0	372.425	1.553	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(Cc4ccn(C)n4)[C@H]3C2)CC1	ZINC001085100428	920913050	/nfs/dbraw/zinc/91/30/50/920913050.db2.gz	BCOGLDJRNZITDR-XLIONFOSSA-N	1	0	369.513	1.188	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(Cc4nnc(C)o4)[C@H]3C2)CC1	ZINC001085100685	920915706	/nfs/dbraw/zinc/91/57/06/920915706.db2.gz	XAHVTVPGDUVMIJ-AEFFLSMTSA-N	1	0	371.485	1.146	20	30		FDEDRO
O=C(Cn1ccnc1)N1CC[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)[C@H]2C1	ZINC001085105778	920976741	/nfs/dbraw/zinc/97/67/41/920976741.db2.gz	FEZZXWNEWAIPPU-QUCCMNQESA-N	1	0	366.440	1.997	20	30		FDEDRO
O=C(NCC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1N=CC=CC1=O	ZINC000733334140	920988824	/nfs/dbraw/zinc/98/88/24/920988824.db2.gz	BGFVNMXOKHOCPF-VHEBQXMUSA-N	1	0	374.416	1.278	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2nccnc2N)s1	ZINC001085154920	921847535	/nfs/dbraw/zinc/84/75/35/921847535.db2.gz	RZOHSEZXIWMZIW-ZIAGYGMSSA-N	1	0	356.455	1.823	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCNC(=O)C2)cc1	ZINC001085167786	921935611	/nfs/dbraw/zinc/93/56/11/921935611.db2.gz	LOJNQNYNKXFGEI-KZNAEPCWSA-N	1	0	354.454	1.601	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc[nH]c(=O)c2)C1=O	ZINC001085167913	921936820	/nfs/dbraw/zinc/93/68/20/921936820.db2.gz	QACIYTOJDNDBJX-OAGGEKHMSA-N	1	0	358.442	1.205	20	30		FDEDRO
COc1nccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)n1	ZINC001085173991	921970020	/nfs/dbraw/zinc/97/00/20/921970020.db2.gz	RJPGFGQHHFUPKI-HUUCEWRRSA-N	1	0	354.414	1.516	20	30		FDEDRO
C[C@@H]1CCCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)C1	ZINC001085174087	921970124	/nfs/dbraw/zinc/97/01/24/921970124.db2.gz	VNSSISZEMZGIKM-DJIMGWMZSA-N	1	0	371.485	1.775	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)C1=O	ZINC001085174408	921970884	/nfs/dbraw/zinc/97/08/84/921970884.db2.gz	ZPUKZOGRKGKTNI-BFYDXBDKSA-N	1	0	355.442	1.304	20	30		FDEDRO
C[C@@H]1CCCCN1C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC001085174884	921995222	/nfs/dbraw/zinc/99/52/22/921995222.db2.gz	YNQYCKAJEMPSQR-ZTFGCOKTSA-N	1	0	371.485	1.918	20	30		FDEDRO
CN1CCOC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001085175113	921997822	/nfs/dbraw/zinc/99/78/22/921997822.db2.gz	FGSJVTYJSXVYGZ-QRVBRYPASA-N	1	0	356.470	1.406	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2COC(=O)N2)ccc1F	ZINC001085187135	922071657	/nfs/dbraw/zinc/07/16/57/922071657.db2.gz	USFJVEPGYXGNGM-BZUAXINKSA-N	1	0	360.389	1.323	20	30		FDEDRO
C=CCCCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001065550098	922349922	/nfs/dbraw/zinc/34/99/22/922349922.db2.gz	DUOSIXQCTYLMMI-YESZJQIVSA-N	1	0	351.491	1.417	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NC(=O)CSCC#N)CC2)CC[N@@H+]1C	ZINC001065876596	922486814	/nfs/dbraw/zinc/48/68/14/922486814.db2.gz	FMSCNUIWEPDDFE-HRCADAONSA-N	1	0	366.531	1.471	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001085202766	922671750	/nfs/dbraw/zinc/67/17/50/922671750.db2.gz	VRJNMJNIFOIGCC-UTRMSSBJSA-N	1	0	368.481	1.990	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@]1(CO)CCCN(Cc2ccccc2)C1	ZINC000734000211	922780651	/nfs/dbraw/zinc/78/06/51/922780651.db2.gz	OCMVSMYFUBVBAG-WIYYLYMNSA-N	1	0	372.513	1.611	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[C@H]2CCC(=O)NC2)c1	ZINC001085222615	922926127	/nfs/dbraw/zinc/92/61/27/922926127.db2.gz	CWKKXKPMZABYBA-GUDVDZBRSA-N	1	0	368.481	1.992	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc2n(n1)CCO2	ZINC001085226507	922950371	/nfs/dbraw/zinc/95/03/71/922950371.db2.gz	BFYFCBPORBWTIX-IAGOWNOFSA-N	1	0	365.437	1.978	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)c1ccccc1	ZINC001085229957	922983367	/nfs/dbraw/zinc/98/33/67/922983367.db2.gz	SNZXBIUBRXFNAR-MXEMCNAFSA-N	1	0	369.509	1.835	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2C(=O)CCC2=O)cc1	ZINC001085292797	923603259	/nfs/dbraw/zinc/60/32/59/923603259.db2.gz	DXZOEWONPMWPFD-QZTJIDSGSA-N	1	0	367.449	1.448	20	30		FDEDRO
Cn1nnc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2F)n1	ZINC001085300402	923662169	/nfs/dbraw/zinc/66/21/69/923662169.db2.gz	RFKWSMLRAKIZBL-HUUCEWRRSA-N	1	0	357.393	1.052	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)CC2=CCOCC2)C1=O	ZINC001085321867	923870672	/nfs/dbraw/zinc/87/06/72/923870672.db2.gz	MWOUQFOLHJLMPQ-KURKYZTESA-N	1	0	361.486	1.527	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c2n(c(=O)n1C)CCCC2	ZINC001085334407	923968551	/nfs/dbraw/zinc/96/85/51/923968551.db2.gz	KGXRUGCKCCITCA-ZIAGYGMSSA-N	1	0	366.893	1.906	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCc2ccnn2C)nn1	ZINC001085356806	924180564	/nfs/dbraw/zinc/18/05/64/924180564.db2.gz	PPMMCWMWOUHLMI-HZPDHXFCSA-N	1	0	357.462	1.071	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCn1cncn1	ZINC001085389213	924403872	/nfs/dbraw/zinc/40/38/72/924403872.db2.gz	YWMBRBCXOHMOFS-HZPDHXFCSA-N	1	0	370.457	1.569	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cn2ccccc2=O)c1	ZINC001085418669	924576390	/nfs/dbraw/zinc/57/63/90/924576390.db2.gz	MXLDGLMOQKKYNQ-RTBURBONSA-N	1	0	364.449	1.937	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2N[C@@H](C)c2ncccn2)CC1	ZINC001085432634	924679772	/nfs/dbraw/zinc/67/97/72/924679772.db2.gz	IGDJKZPEXKLDML-QXAKKESOSA-N	1	0	369.513	1.900	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)CC1	ZINC000740736769	925420835	/nfs/dbraw/zinc/42/08/35/925420835.db2.gz	LUEJDJGKZJYHSX-UHFFFAOYSA-N	1	0	368.437	1.096	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CSCN2C(=O)/C(C)=C\CC)CC1	ZINC000740748361	925435113	/nfs/dbraw/zinc/43/51/13/925435113.db2.gz	FOHDEJXUICUCFS-OLMDTSMNSA-N	1	0	363.527	1.848	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CNC(=O)c2ccc(OCC)cc2)CC1	ZINC000740748296	925435125	/nfs/dbraw/zinc/43/51/25/925435125.db2.gz	BSEVLQOMNKZEBA-UHFFFAOYSA-N	1	0	357.454	1.419	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3ccncc3)C2)C1=O	ZINC001086090663	925950811	/nfs/dbraw/zinc/95/08/11/925950811.db2.gz	LMNWNUBBILIDRS-IKLKHMQRSA-N	1	0	368.481	1.456	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)CC1	ZINC000742329550	926012623	/nfs/dbraw/zinc/01/26/23/926012623.db2.gz	XIEKUNNZKUMGQX-UHFFFAOYSA-N	1	0	354.410	1.369	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nnc(C)n2C2CC2)C1	ZINC001086201674	926284814	/nfs/dbraw/zinc/28/48/14/926284814.db2.gz	LMYNTGYGZQUGFF-WTTBNOFXSA-N	1	0	359.474	1.497	20	30		FDEDRO
COc1cccc(N=C2NC(=O)C(CC(=O)NCCC[NH+](C)C)S2)c1	ZINC000743277824	926307395	/nfs/dbraw/zinc/30/73/95/926307395.db2.gz	VVZBLHGNGNSYHU-CQSZACIVSA-N	1	0	364.471	1.372	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cncc(OC)n2)C1	ZINC001086369518	926865159	/nfs/dbraw/zinc/86/51/59/926865159.db2.gz	LVXVDRJSJREVKE-SRABZTEZSA-N	1	0	360.458	1.451	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CC1SC(=N)NC1=O	ZINC000745437741	927247177	/nfs/dbraw/zinc/24/71/77/927247177.db2.gz	LXXPPUDVLCCDEF-AWEZNQCLSA-N	1	0	359.455	1.005	20	30		FDEDRO
N#Cc1c(F)cccc1N1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1	ZINC001066530571	927261131	/nfs/dbraw/zinc/26/11/31/927261131.db2.gz	KJMINPNRNQFSDX-BFHYXJOUSA-N	1	0	369.400	1.546	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC001086479618	927508592	/nfs/dbraw/zinc/50/85/92/927508592.db2.gz	ONTOEIJVFGWKMJ-ZXFNITATSA-N	1	0	354.454	1.444	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2csnc2OC)C1	ZINC001086483086	927538226	/nfs/dbraw/zinc/53/82/26/927538226.db2.gz	LBQKSHDEKDSFPU-NGFQHRJXSA-N	1	0	351.472	1.727	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(CO)ccc2F)C1	ZINC001086483243	927539078	/nfs/dbraw/zinc/53/90/78/927539078.db2.gz	SCKXOTLCZWSVFL-MYZZLAAOSA-N	1	0	362.445	1.894	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cn(C(C)(C)C)nn2)C1	ZINC001086483264	927539527	/nfs/dbraw/zinc/53/95/27/927539527.db2.gz	TUIBBCKRYKMLJT-SRABZTEZSA-N	1	0	361.490	1.609	20	30		FDEDRO
CCC[C@H]1CN(c2ccc(S(N)(=O)=O)cc2C#N)CC[N@@H+]1CCOC	ZINC000766428480	928035176	/nfs/dbraw/zinc/03/51/76/928035176.db2.gz	JCTVVBVDSQCBBU-HNNXBMFYSA-N	1	0	366.487	1.143	20	30		FDEDRO
COCOc1ccc(OC)cc1C[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000766469801	928066785	/nfs/dbraw/zinc/06/67/85/928066785.db2.gz	LYFLBEKRGAUFQJ-ZCXUNETKSA-N	1	0	361.398	1.294	20	30		FDEDRO
COCOc1ccc(OC)cc1C[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000766469800	928067409	/nfs/dbraw/zinc/06/74/09/928067409.db2.gz	LYFLBEKRGAUFQJ-ISLYRVAYSA-N	1	0	361.398	1.294	20	30		FDEDRO
CN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)S(=O)(=O)CC[NH3+]	ZINC001156232271	928166267	/nfs/dbraw/zinc/16/62/67/928166267.db2.gz	UPAPVOHIOYIZNQ-UHFFFAOYSA-N	1	0	359.185	1.530	20	30		FDEDRO
C=CCOC(=O)N1CCC(C[NH2+][C@H]2CC[C@H](C(=O)OCC)OC2)CC1	ZINC001169373028	928485388	/nfs/dbraw/zinc/48/53/88/928485388.db2.gz	NMKFFTMOZQBWND-JKSUJKDBSA-N	1	0	354.447	1.721	20	30		FDEDRO
C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H]1CC[C@H](C(=O)OCC)OC1)C2	ZINC001169389492	928533774	/nfs/dbraw/zinc/53/37/74/928533774.db2.gz	FAXPTGCNUMOAPM-IMBTUZDBSA-N	1	0	353.459	1.923	20	30		FDEDRO
CCOC(=O)C1(Nc2nccc(C#N)c2C(OC)OC)CC[NH+](C)CC1	ZINC001169492813	928677351	/nfs/dbraw/zinc/67/73/51/928677351.db2.gz	QDQQVZNPLRTVKX-UHFFFAOYSA-N	1	0	362.430	1.684	20	30		FDEDRO
C=CCCC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2=O)C1	ZINC001108555135	928910016	/nfs/dbraw/zinc/91/00/16/928910016.db2.gz	GFVLYXLUAODKST-RIVXBTQJSA-N	1	0	361.486	1.169	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCCC(C)C)C2)C1	ZINC001108577780	928947875	/nfs/dbraw/zinc/94/78/75/928947875.db2.gz	PEIFZEUIDAYCDD-JQHSSLGASA-N	1	0	363.502	1.415	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)CCc2scnc2C)[C@@H](n2ccnn2)C1	ZINC001129353613	929013626	/nfs/dbraw/zinc/01/36/26/929013626.db2.gz	WWKICCGPOLSHDO-CABCVRRESA-N	1	0	360.487	1.593	20	30		FDEDRO
C=CC[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ccncc1	ZINC000767018371	929046905	/nfs/dbraw/zinc/04/69/05/929046905.db2.gz	JYNSAFWLWJCEOE-ROUUACIJSA-N	1	0	371.485	1.647	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2C2CC2)[C@@H](n2ccnn2)C1	ZINC001129359596	929112691	/nfs/dbraw/zinc/11/26/91/929112691.db2.gz	IQPITAULNCYUNU-XKQJLSEDSA-N	1	0	369.473	1.889	20	30		FDEDRO
C#CCCN(CC(F)(F)F)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1	ZINC000767153584	929127652	/nfs/dbraw/zinc/12/76/52/929127652.db2.gz	CDPGHSXGHPKALG-UHFFFAOYSA-N	1	0	354.376	1.861	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)c2cnn(C)c2)[C@@H](n2ccnn2)C1	ZINC001129365410	929264104	/nfs/dbraw/zinc/26/41/04/929264104.db2.gz	ALYCXCOXPRKCDF-SJORKVTESA-N	1	0	371.489	1.297	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3nncn3CC1)C2	ZINC001109536007	929711424	/nfs/dbraw/zinc/71/14/24/929711424.db2.gz	SFLAADRTHASDPC-NCOADZHNSA-N	1	0	359.474	1.155	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1C(=O)CNC1=O	ZINC001109634613	929954197	/nfs/dbraw/zinc/95/41/97/929954197.db2.gz	RUKRLHPHQWZPJM-FZKCQIBNSA-N	1	0	362.474	1.252	20	30		FDEDRO
CCc1nc(C#N)cc(NCCCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)n1	ZINC001109644342	929996461	/nfs/dbraw/zinc/99/64/61/929996461.db2.gz	FFWMILXIRBAWLG-JKSUJKDBSA-N	1	0	358.490	1.901	20	30		FDEDRO
C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](O)Cn2cccn2)CCC1	ZINC001109680475	930120852	/nfs/dbraw/zinc/12/08/52/930120852.db2.gz	LEIDZKZDXANAEL-BDXSIMOUSA-N	1	0	358.486	1.712	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2	ZINC001109709509	930183584	/nfs/dbraw/zinc/18/35/84/930183584.db2.gz	NFOHQSPMANDODG-QZWWFDLISA-N	1	0	350.507	1.131	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(CN3CCCC3)on1)C2	ZINC001109719294	930241495	/nfs/dbraw/zinc/24/14/95/930241495.db2.gz	BTYQAOXNNIQIMA-AYBZRNKSSA-N	1	0	374.485	1.808	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nnc3ccccc3c1O)C2	ZINC001109774997	930390184	/nfs/dbraw/zinc/39/01/84/930390184.db2.gz	VDLWWIGHLSMDRX-COXVUDFISA-N	1	0	368.437	1.873	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)C1CCOCC1)C2	ZINC001109860332	930617813	/nfs/dbraw/zinc/61/78/13/930617813.db2.gz	XXJOHINIGGDYBN-BGTYHANMSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCc1ncnn1C)C2	ZINC001109915901	930727579	/nfs/dbraw/zinc/72/75/79/930727579.db2.gz	FYAXAAJJCIEKSX-IKGGRYGDSA-N	1	0	361.490	1.800	20	30		FDEDRO
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[NH2+][C@@H](CCO)C2CC2)CC1	ZINC000771799090	930895954	/nfs/dbraw/zinc/89/59/54/930895954.db2.gz	JIRHOLWTABTTTB-RBUKOAKNSA-N	1	0	374.460	1.285	20	30		FDEDRO
C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cc(C#N)ccc1F	ZINC001109977716	930937185	/nfs/dbraw/zinc/93/71/85/930937185.db2.gz	WMTBJMOOXLNMDL-NEWSRXKRSA-N	1	0	374.460	1.497	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)CCC=C)C[C@@H]2n2ccnn2)nc1	ZINC001129393046	930954954	/nfs/dbraw/zinc/95/49/54/930954954.db2.gz	AANKLOCNSRSMSY-IPELMVKDSA-N	1	0	364.453	1.664	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)CCC=C)C[C@@H]2n2ccnn2)nc1	ZINC001129393051	930955115	/nfs/dbraw/zinc/95/51/15/930955115.db2.gz	AANKLOCNSRSMSY-LZQZEXGQSA-N	1	0	364.453	1.664	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC1	ZINC000772114220	931082203	/nfs/dbraw/zinc/08/22/03/931082203.db2.gz	MFAACQAQILTQQX-AWEZNQCLSA-N	1	0	369.421	1.249	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCCCNC(C)=O)C2	ZINC001110068200	931373098	/nfs/dbraw/zinc/37/30/98/931373098.db2.gz	SFQZWEJVVAJIAE-SQNIBIBYSA-N	1	0	351.491	1.607	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@]1(C)CCCS1(=O)=O)C2	ZINC001112544126	931415669	/nfs/dbraw/zinc/41/56/69/931415669.db2.gz	PKCGYRSFAQGVBH-JQHSSLGASA-N	1	0	352.500	1.195	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NCc1ccc(C[NH+](CC)CC)cc1)[C@H]1CCCO1	ZINC000785558951	931453307	/nfs/dbraw/zinc/45/33/07/931453307.db2.gz	ATIUPGUSKMIFJY-RBUKOAKNSA-N	1	0	371.481	1.442	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc(-n3cncn3)n1)C2	ZINC001112553641	931535141	/nfs/dbraw/zinc/53/51/41/931535141.db2.gz	BCVGJFCDGOQPQV-KXBFYZLASA-N	1	0	352.442	1.680	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCn1cnccc1=O)C2	ZINC001112553793	931535494	/nfs/dbraw/zinc/53/54/94/931535494.db2.gz	JRZPXMSBXLDGQN-YJBOKZPZSA-N	1	0	364.877	1.604	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1nccn3cc(C)nc13)C2	ZINC001112558520	931579133	/nfs/dbraw/zinc/57/91/33/931579133.db2.gz	LCAGFZYFDUCGOS-JXFKEZNVSA-N	1	0	351.454	1.893	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)CCCOC)C2	ZINC001112559086	931583106	/nfs/dbraw/zinc/58/31/06/931583106.db2.gz	JEWVKJYWSQIGIL-BJLQDIEVSA-N	1	0	350.503	1.917	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CS(=O)(=O)CCCCC)C2	ZINC001112562141	931592703	/nfs/dbraw/zinc/59/27/03/931592703.db2.gz	JHLDPOIONUQUPD-WMZOPIPTSA-N	1	0	356.532	1.996	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@H](C)O)C1	ZINC001112564957	931609985	/nfs/dbraw/zinc/60/99/85/931609985.db2.gz	BLRUQQCNTQJDCK-FTRWYGJKSA-N	1	0	357.454	1.306	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC3CC3)C2)cn1	ZINC001112565985	931616908	/nfs/dbraw/zinc/61/69/08/931616908.db2.gz	DHEPVGHMHUCQQY-KKSFZXQISA-N	1	0	366.465	1.173	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@H](C)C(=O)NC)C2)cn1	ZINC001112566328	931618467	/nfs/dbraw/zinc/61/84/67/931618467.db2.gz	XKYCPSZNUBVRNK-IIMJZQEZSA-N	1	0	354.454	1.029	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CO[C@@H](C)c1nccn1C)C2	ZINC001112570724	931652525	/nfs/dbraw/zinc/65/25/25/931652525.db2.gz	LRTWQXWDIIRHQV-ZWOKBUDYSA-N	1	0	358.486	1.739	20	30		FDEDRO
C[C@H](CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1)C(C)(C)C	ZINC001112569589	931662446	/nfs/dbraw/zinc/66/24/46/931662446.db2.gz	FMIMAYYCZVRUQT-GUXCAODWSA-N	1	0	362.518	1.917	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)c1ccc(F)cc1)C2	ZINC001112574136	931680726	/nfs/dbraw/zinc/68/07/26/931680726.db2.gz	POCHTEMHMMAUJL-UWJYYQICSA-N	1	0	371.456	1.797	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)NC(=O)c1ccccc1)C2	ZINC001112574603	931684806	/nfs/dbraw/zinc/68/48/06/931684806.db2.gz	QNXQYXDHDBWGBK-MDKPJZGXSA-N	1	0	353.466	1.656	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1C(=O)CN(C)C1=O)C2	ZINC001112575244	931700552	/nfs/dbraw/zinc/70/05/52/931700552.db2.gz	ZOATUZAVHKPVMX-KXBFYZLASA-N	1	0	362.474	1.065	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(=O)n(CCC)n1)C2	ZINC001112576478	931713507	/nfs/dbraw/zinc/71/35/07/931713507.db2.gz	PYCVHHGKRYRXPG-JXFKEZNVSA-N	1	0	356.470	1.509	20	30		FDEDRO
COC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC#Cc1ccccc1)C2	ZINC001112583275	931753733	/nfs/dbraw/zinc/75/37/33/931753733.db2.gz	LVWZBEVABMZFGR-ONTIZHBOSA-N	1	0	370.493	1.654	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCN1C(=O)C(C)C)C2	ZINC001112580963	931763146	/nfs/dbraw/zinc/76/31/46/931763146.db2.gz	OERJUOZFZHECCR-WFXMLNOXSA-N	1	0	359.514	1.875	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCCC2=O)C1	ZINC001112589214	931802265	/nfs/dbraw/zinc/80/22/65/931802265.db2.gz	PIQRXDXJYPWOII-PXNSSMCTSA-N	1	0	363.502	1.420	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCN1C(C)=O)C2	ZINC001112587591	931812511	/nfs/dbraw/zinc/81/25/11/931812511.db2.gz	GDRJZNBJNHRXGK-JZXOWHBKSA-N	1	0	353.894	1.968	20	30		FDEDRO
C[NH+](C)CCc1ccc(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1	ZINC000786252155	931822099	/nfs/dbraw/zinc/82/20/99/931822099.db2.gz	FQSQAEPZPDNVDU-LJQANCHMSA-N	1	0	355.486	1.672	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1[nH]cnc1C)C2	ZINC001112593116	931843881	/nfs/dbraw/zinc/84/38/81/931843881.db2.gz	XPPFINVQKKEAHB-DOXZYTNZSA-N	1	0	359.474	1.241	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCNc1ccc(C#N)cn1	ZINC000786942440	932112536	/nfs/dbraw/zinc/11/25/36/932112536.db2.gz	WDYDUEDWOCTAAP-HNNXBMFYSA-N	1	0	372.473	1.260	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)NCc1cccc(C[NH+](CC)CC)c1)[C@@H]1CCCO1	ZINC000787287892	932244418	/nfs/dbraw/zinc/24/44/18/932244418.db2.gz	GZVRJQJQMBCZRF-MOPGFXCFSA-N	1	0	371.481	1.442	20	30		FDEDRO
C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)c1cccc(NS(C)(=O)=O)c1	ZINC000787293682	932246277	/nfs/dbraw/zinc/24/62/77/932246277.db2.gz	JILDYVCPQNDOKF-OLZOCXBDSA-N	1	0	364.471	1.660	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1cccc(F)c1C#N	ZINC000746701836	932363907	/nfs/dbraw/zinc/36/39/07/932363907.db2.gz	KAIKCMCXRYWGOZ-WQVCFCJDSA-N	1	0	367.446	1.570	20	30		FDEDRO
C#CCCCNC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1	ZINC000787856553	932454848	/nfs/dbraw/zinc/45/48/48/932454848.db2.gz	SNVABXMRYIBHOT-IBGZPJMESA-N	1	0	370.497	1.011	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cccc(C)c2=O)C1	ZINC001086588131	933605178	/nfs/dbraw/zinc/60/51/78/933605178.db2.gz	FUBRRXBWSWWUQF-VQTJNVASSA-N	1	0	363.461	1.764	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@H]1c1ccccc1	ZINC001086593418	933835376	/nfs/dbraw/zinc/83/53/76/933835376.db2.gz	VEFCBMROHJAYMP-ZCNNSNEGSA-N	1	0	355.482	1.315	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2CCOCC2=O)C1	ZINC001086593029	933842838	/nfs/dbraw/zinc/84/28/38/933842838.db2.gz	WGDAELARHBIZNU-RBUKOAKNSA-N	1	0	371.481	1.396	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2CCCCC2=O)C1	ZINC001086596696	933937722	/nfs/dbraw/zinc/93/77/22/933937722.db2.gz	OBPDGSXHGXTESH-RBUKOAKNSA-N	1	0	353.466	1.606	20	30		FDEDRO
C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccnc3c2CC(=O)N3)C1	ZINC001086597521	933971141	/nfs/dbraw/zinc/97/11/41/933971141.db2.gz	JUOBXOPBEBKECP-ZWKOTPCHSA-N	1	0	362.433	1.960	20	30		FDEDRO
N#C[C@H](c1cccc(Cl)c1)N1CCN(C[C@H](O)C[NH+]2CCCC2)CC1	ZINC000791621481	934068880	/nfs/dbraw/zinc/06/88/80/934068880.db2.gz	VLIYQZGJMMFMJZ-RTBURBONSA-N	1	0	362.905	1.979	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1	ZINC001086600487	934083100	/nfs/dbraw/zinc/08/31/00/934083100.db2.gz	WGFTZNGTNBIXSC-DLBZAZTESA-N	1	0	352.438	1.554	20	30		FDEDRO
C[N@@H+]1CC[C@@]2(CCN(CN3C(=O)N[C@](C)(c4cccc(C#N)c4)C3=O)C2)C1	ZINC000793763000	934251131	/nfs/dbraw/zinc/25/11/31/934251131.db2.gz	CKUSPAYBWBXFLK-WOJBJXKFSA-N	1	0	367.453	1.310	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](C)[NH+](CC)CC)s1	ZINC000822571603	945071599	/nfs/dbraw/zinc/07/15/99/945071599.db2.gz	TXAZFNVNIWYTOQ-CYBMUJFWSA-N	1	0	373.544	1.601	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCN(C(=O)CC)C2)C1	ZINC001086618591	938334735	/nfs/dbraw/zinc/33/47/35/938334735.db2.gz	ZTILTOKEJWQMCX-HSALFYBXSA-N	1	0	367.493	1.852	20	30		FDEDRO
C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2cc(C#N)ccc2F)C1	ZINC000793910931	938336859	/nfs/dbraw/zinc/33/68/59/938336859.db2.gz	QMDRYFMNFYKXMA-AWEZNQCLSA-N	1	0	374.460	1.940	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+](CCCC)C[C@@H]2n2ccnn2)CCOCC1	ZINC001129412389	938408074	/nfs/dbraw/zinc/40/80/74/938408074.db2.gz	PTSBRZMXDLZWRU-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+](CC(C)C)C[C@@H]2n2ccnn2)CCOCC1	ZINC001129412808	938408434	/nfs/dbraw/zinc/40/84/34/938408434.db2.gz	XVPDRYWBADALJD-SJORKVTESA-N	1	0	361.490	1.649	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@@H](n2ccnn2)C1	ZINC001129400558	938415696	/nfs/dbraw/zinc/41/56/96/938415696.db2.gz	SHBYLSDRKQQTOX-CABCVRRESA-N	1	0	354.886	1.104	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)COc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129400599	938415773	/nfs/dbraw/zinc/41/57/73/938415773.db2.gz	UCMQWYQVSFFJJT-MSOLQXFVSA-N	1	0	355.442	1.665	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ncccc2OC)[C@@H](n2ccnn2)C1	ZINC001129404157	938417298	/nfs/dbraw/zinc/41/72/98/938417298.db2.gz	MODVCDPBYIVGRI-OAGGEKHMSA-N	1	0	370.457	1.692	20	30		FDEDRO
C=C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1)c1ccccc1	ZINC001129449352	938419937	/nfs/dbraw/zinc/41/99/37/938419937.db2.gz	MBHNUYJRFHSBGV-KURKYZTESA-N	1	0	357.433	1.949	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCn2cccn2)[C@@H](n2ccnn2)C1	ZINC001129438336	938425648	/nfs/dbraw/zinc/42/56/48/938425648.db2.gz	RSDDXTZVOACWRZ-KURKYZTESA-N	1	0	371.489	1.651	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)COCCOCC)[C@@H](n2ccnn2)C1	ZINC001129465885	938428924	/nfs/dbraw/zinc/42/89/24/938428924.db2.gz	SSUWCVKTMODQFD-ZACQAIPSSA-N	1	0	365.478	1.027	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H](C)n2nc(C)cc2C)[C@@H](n2ccnn2)C1	ZINC001129485168	938440738	/nfs/dbraw/zinc/44/07/38/938440738.db2.gz	YQHYREQVZMABFF-KSZLIROESA-N	1	0	371.489	1.660	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)c2cnccn2)C[C@@H]1n1ccnn1	ZINC001129533218	938446578	/nfs/dbraw/zinc/44/65/78/938446578.db2.gz	DJFMQLWXLYNBNT-SJORKVTESA-N	1	0	357.462	1.694	20	30		FDEDRO
C=CCN(C(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)C(C)C	ZINC000804522785	938458361	/nfs/dbraw/zinc/45/83/61/938458361.db2.gz	YWEDFBKGQKHDTP-UHFFFAOYSA-N	1	0	373.497	1.683	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccc(Cl)o2)C[C@@H]1n1ccnn1	ZINC001129582886	938464716	/nfs/dbraw/zinc/46/47/16/938464716.db2.gz	UECRQJKVTJVSBP-OLZOCXBDSA-N	1	0	365.821	1.382	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]Cc2ccc3c(c2)COC3)[C@@H](n2ccnn2)C1	ZINC001129667105	938478727	/nfs/dbraw/zinc/47/87/27/938478727.db2.gz	ONZOQLMXWGWRHZ-MOPGFXCFSA-N	1	0	367.453	1.816	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]([NH2+][C@H](C)c2cccc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129681314	938484072	/nfs/dbraw/zinc/48/40/72/938484072.db2.gz	OPCFUZXNXDWJBJ-QRQLOZEOSA-N	1	0	369.469	1.892	20	30		FDEDRO
O=C(/C=C/C1CC1)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129733152	938496625	/nfs/dbraw/zinc/49/66/25/938496625.db2.gz	PJVYFKPPAAEOLX-WNGAPAKLSA-N	1	0	361.449	1.638	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2COCCN2C(C)=O)C1	ZINC001086624767	938499668	/nfs/dbraw/zinc/49/96/68/938499668.db2.gz	TXPJEPOMVCKZIT-OTWHNJEPSA-N	1	0	357.454	1.004	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)c2cncnc2)C[C@@H]1n1ccnn1	ZINC001129762547	938503313	/nfs/dbraw/zinc/50/33/13/938503313.db2.gz	NIIWAHQZZANMEN-SJORKVTESA-N	1	0	357.462	1.694	20	30		FDEDRO
Cn1cc([C@@H]2OCCC[C@H]2C(=O)NCC[NH2+]Cc2ccc(C#N)cc2)cn1	ZINC001129791166	938508057	/nfs/dbraw/zinc/50/80/57/938508057.db2.gz	VXVQJRVDIOXEAH-MOPGFXCFSA-N	1	0	367.453	1.665	20	30		FDEDRO
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1	ZINC001129798351	938511086	/nfs/dbraw/zinc/51/10/86/938511086.db2.gz	USVKIPKEYPPFFW-RTBURBONSA-N	1	0	366.465	1.645	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccnc2C(N)=O)C1	ZINC001086625177	938511210	/nfs/dbraw/zinc/51/12/10/938511210.db2.gz	NUAZTRWMDALSPB-ZWKOTPCHSA-N	1	0	364.449	1.954	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CC2(COC)CC2)C[C@@H]1n1ccnn1	ZINC001129825123	938522939	/nfs/dbraw/zinc/52/29/39/938522939.db2.gz	MITMMMGKYKKOLZ-BBWFWOEESA-N	1	0	361.490	1.791	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)cc2)[C@@H](n2ccnn2)C1	ZINC001129825190	938522986	/nfs/dbraw/zinc/52/29/86/938522986.db2.gz	PMPCINHQGZZYTD-MSOLQXFVSA-N	1	0	355.417	1.618	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)noc2CCC)C[C@@H]1n1ccnn1	ZINC001129844064	938525048	/nfs/dbraw/zinc/52/50/48/938525048.db2.gz	AZNDOXKBHUSTAV-CABCVRRESA-N	1	0	356.430	1.206	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2ccncc2C)C[C@@H]1n1ccnn1	ZINC001129846070	938525673	/nfs/dbraw/zinc/52/56/73/938525673.db2.gz	WOCQFZDLPWAFCH-UHOSZYNNSA-N	1	0	368.485	1.920	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](OCC)C2=CCCC2)C[C@@H]1n1ccnn1	ZINC001129850015	938527185	/nfs/dbraw/zinc/52/71/85/938527185.db2.gz	JPCDKQWAHNHVEV-QYZOEREBSA-N	1	0	371.485	1.548	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3cn[nH]c32)C[C@@H]1n1ccnn1	ZINC001129858219	938529857	/nfs/dbraw/zinc/52/98/57/938529857.db2.gz	RQIFBJXYHOZUEL-BBWFWOEESA-N	1	0	369.473	1.429	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)c(OC)c(C)c2)C[C@@H]1n1ccnn1	ZINC001129858466	938530122	/nfs/dbraw/zinc/53/01/22/938530122.db2.gz	XGOHNVSAOPDCSW-MSOLQXFVSA-N	1	0	367.453	1.582	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@@H]1n1ccnn1	ZINC001129864093	938531966	/nfs/dbraw/zinc/53/19/66/938531966.db2.gz	PLSYAYQJAJPHRM-ZMMAXQRCSA-N	1	0	359.474	1.403	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]C[C@H](OC)C2CCC2)[C@@H](n2ccnn2)C1	ZINC001129833681	938533126	/nfs/dbraw/zinc/53/31/26/938533126.db2.gz	DFEBEAWFVZKEPD-SQNIBIBYSA-N	1	0	359.474	1.238	20	30		FDEDRO
C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCc3nncn3C2)C1	ZINC001086625743	938534706	/nfs/dbraw/zinc/53/47/06/938534706.db2.gz	VTHYUUHZUYMQLK-FGTMMUONSA-N	1	0	351.454	1.611	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(OC(C)C)nc2)C[C@@H]1n1ccnn1	ZINC001129881652	938537640	/nfs/dbraw/zinc/53/76/40/938537640.db2.gz	NKHVQYNEDPSTQN-SJORKVTESA-N	1	0	370.457	1.692	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1n1ccnn1	ZINC001129887781	938540391	/nfs/dbraw/zinc/54/03/91/938540391.db2.gz	QLUPADIZGICASE-OAGGEKHMSA-N	1	0	365.453	1.493	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]cn2)C[C@@H]1n1ccnn1	ZINC001129887888	938540610	/nfs/dbraw/zinc/54/06/10/938540610.db2.gz	WCKAIOYFHMTCTN-MSOLQXFVSA-N	1	0	371.489	1.722	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H]([NH2+]CCCOCC)[C@@H](n2ccnn2)C1	ZINC001129866773	938543498	/nfs/dbraw/zinc/54/34/98/938543498.db2.gz	ITZFIXGFLVLLAF-MSOLQXFVSA-N	1	0	361.490	1.815	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(OC)cc2C)C[C@@H]1n1ccnn1	ZINC001129871285	938544822	/nfs/dbraw/zinc/54/48/22/938544822.db2.gz	FUPJORUVFHRGKC-MOPGFXCFSA-N	1	0	367.453	1.203	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cn(CC)nc2C2CC2)C[C@@H]1n1ccnn1	ZINC001129874988	938546201	/nfs/dbraw/zinc/54/62/01/938546201.db2.gz	WSXKMTJBLAYGTG-SJORKVTESA-N	1	0	367.457	1.051	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2(C)CCC(F)(F)CC2)C[C@@H]1n1ccnn1	ZINC001129916858	938553842	/nfs/dbraw/zinc/55/38/42/938553842.db2.gz	GBQQKPHIPABIQR-CABCVRRESA-N	1	0	365.428	1.859	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)n([C@@H](C)CC)n2)C[C@@H]1n1ccnn1	ZINC001129917627	938554523	/nfs/dbraw/zinc/55/45/23/938554523.db2.gz	YUCBPKWLGVZDDK-QGTPRVQTSA-N	1	0	371.489	1.985	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3ccncc3s2)C[C@@H]1n1ccnn1	ZINC001129894596	938555779	/nfs/dbraw/zinc/55/57/79/938555779.db2.gz	KQBAJWJJLQEDGB-CABCVRRESA-N	1	0	366.450	1.566	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H]([NH2+]C[C@@H](CC)OC)[C@@H](n3ccnn3)C2)CCC1	ZINC001129894585	938555801	/nfs/dbraw/zinc/55/58/01/938555801.db2.gz	KHRBRSVELJYQFQ-ZACQAIPSSA-N	1	0	359.474	1.238	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1	ZINC001129897769	938558331	/nfs/dbraw/zinc/55/83/31/938558331.db2.gz	QCEHLVMZEGTJSZ-RWMBFGLXSA-N	1	0	365.396	1.273	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2onc3c2CCCC3)C[C@@H]1n1ccnn1	ZINC001129934223	938563630	/nfs/dbraw/zinc/56/36/30/938563630.db2.gz	VIBGSCFYSBMYGO-SJORKVTESA-N	1	0	370.457	1.766	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cccnc2)C[C@@H]1n1ccnn1	ZINC001129918556	938567102	/nfs/dbraw/zinc/56/71/02/938567102.db2.gz	DHAPSVPTVHNEEL-SJORKVTESA-N	1	0	352.442	1.016	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cccn3nccc23)C[C@@H]1n1ccnn1	ZINC001129923696	938569419	/nfs/dbraw/zinc/56/94/19/938569419.db2.gz	QUOLULGJWBPAMV-AEFFLSMTSA-N	1	0	365.441	1.547	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)c2cncn2C)C[C@@H]1n1ccnn1	ZINC001129924796	938570352	/nfs/dbraw/zinc/57/03/52/938570352.db2.gz	JQACQDDHMYKTGX-WBVHZDCISA-N	1	0	359.478	1.637	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc3cccnc32)C[C@@H]1n1ccnn1	ZINC001129925213	938570569	/nfs/dbraw/zinc/57/05/69/938570569.db2.gz	TYFTUWOVENTSNM-MSOLQXFVSA-N	1	0	360.421	1.505	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2ccccn2)C[C@@H]1n1ccnn1	ZINC001129956399	938576851	/nfs/dbraw/zinc/57/68/51/938576851.db2.gz	HMJHZKBTGDQGEL-MSOLQXFVSA-N	1	0	354.458	1.614	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1	ZINC001129945567	938580718	/nfs/dbraw/zinc/58/07/18/938580718.db2.gz	QWYLRXNZCLEKKB-VYDXJSESSA-N	1	0	353.442	1.208	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H]([NH2+]CC2CCC2)[C@@H](n2ccnn2)C1	ZINC001129945621	938581076	/nfs/dbraw/zinc/58/10/76/938581076.db2.gz	TURJEDSXAFQXAF-ZIFCJYIRSA-N	1	0	361.490	1.649	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2cncc(C)c2)C[C@@H]1n1ccnn1	ZINC001129945940	938581077	/nfs/dbraw/zinc/58/10/77/938581077.db2.gz	YTHFXKHXYVHCQP-MSOLQXFVSA-N	1	0	354.458	1.532	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2occ3c2CCOC3)C[C@@H]1n1ccnn1	ZINC001129945969	938581147	/nfs/dbraw/zinc/58/11/47/938581147.db2.gz	ZUVRIIUQPOKIMO-SJORKVTESA-N	1	0	371.441	1.565	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)[C@H](C)CO3)C[C@@H]1n1ccnn1	ZINC001129970234	938587871	/nfs/dbraw/zinc/58/78/71/938587871.db2.gz	DYBDFOMEQZUBDH-OLMNPRSZSA-N	1	0	365.437	1.453	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2occc2CC)C[C@@H]1n1ccnn1	ZINC001129994330	938603333	/nfs/dbraw/zinc/60/33/33/938603333.db2.gz	IAGKKNDKCLELMD-CVEARBPZSA-N	1	0	359.430	1.291	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H]([NH2+]CCCCCOC)[C@@H](n3ccnn3)C2)C1	ZINC001129997259	938605235	/nfs/dbraw/zinc/60/52/35/938605235.db2.gz	GHKNDGPKHSOFIQ-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H]([NH2+]CCOC(C)C)[C@@H](n3ccnn3)C2)CC1	ZINC001129999269	938606843	/nfs/dbraw/zinc/60/68/43/938606843.db2.gz	TXAVWCSBQFBJRX-SJORKVTESA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccc(Cl)[nH]2)C[C@@H]1n1ccnn1	ZINC001130000566	938607508	/nfs/dbraw/zinc/60/75/08/938607508.db2.gz	FAQWCEAVJUPDKM-KGLIPLIRSA-N	1	0	364.837	1.118	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(F)c(C)c2)C[C@@H]1n1ccnn1	ZINC001129987960	938610912	/nfs/dbraw/zinc/61/09/12/938610912.db2.gz	AJUKXLMKGXUNOL-MSOLQXFVSA-N	1	0	371.416	1.031	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C(C)C)cn2)C[C@@H]1n1ccnn1	ZINC001130014531	938615641	/nfs/dbraw/zinc/61/56/41/938615641.db2.gz	QXZQKZFRXMPOTF-MSOLQXFVSA-N	1	0	352.442	1.475	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCCc2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001130020455	938619123	/nfs/dbraw/zinc/61/91/23/938619123.db2.gz	HKGCCCNCODCEDR-MOPGFXCFSA-N	1	0	369.444	1.805	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001130022500	938620457	/nfs/dbraw/zinc/62/04/57/938620457.db2.gz	CCRHWADLSOYQKE-UHOSZYNNSA-N	1	0	351.454	1.755	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cn(CC)nc2C(C)C)C[C@@H]1n1ccnn1	ZINC001130022767	938621084	/nfs/dbraw/zinc/62/10/84/938621084.db2.gz	KQCZOSTYTIUVIF-SJORKVTESA-N	1	0	369.473	1.297	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2cccnc2)C[C@@H]1n1ccnn1	ZINC001130005624	938622718	/nfs/dbraw/zinc/62/27/18/938622718.db2.gz	AIXFWSUOSDJZLT-NXHRZFHOSA-N	1	0	370.457	1.448	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2cccnc2C)C[C@@H]1n1ccnn1	ZINC001130005815	938622931	/nfs/dbraw/zinc/62/29/31/938622931.db2.gz	IHLFRAZMICWXHY-MSOLQXFVSA-N	1	0	354.458	1.532	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2ccco2)C[C@@H]1n1ccnn1	ZINC001130006176	938623723	/nfs/dbraw/zinc/62/37/23/938623723.db2.gz	WVAZLBPIGBDZMT-OAGGEKHMSA-N	1	0	359.430	1.219	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)OC2CCCC2)C[C@@H]1n1ccnn1	ZINC001130024420	938628597	/nfs/dbraw/zinc/62/85/97/938628597.db2.gz	VJQKMINFDHQXME-FGTMMUONSA-N	1	0	359.474	1.381	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2csc3cncn32)C[C@@H]1n1ccnn1	ZINC001130026122	938628827	/nfs/dbraw/zinc/62/88/27/938628827.db2.gz	BLIRAWGNHRRUJA-KGLIPLIRSA-N	1	0	371.470	1.609	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccnc(C3CC3)n2)C[C@@H]1n1ccnn1	ZINC001130026283	938629172	/nfs/dbraw/zinc/62/91/72/938629172.db2.gz	JXWHBWIXNNWNQY-SJORKVTESA-N	1	0	367.457	1.567	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccc(OC)o2)C[C@@H]1n1ccnn1	ZINC001130050212	938637350	/nfs/dbraw/zinc/63/73/50/938637350.db2.gz	NYSFUUDMVMWYCP-ZNMIVQPWSA-N	1	0	359.430	1.890	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnn(CC)c2C)C[C@@H]1n1ccnn1	ZINC001130050399	938637617	/nfs/dbraw/zinc/63/76/17/938637617.db2.gz	XJILEPZKOYWJDC-OLMNPRSZSA-N	1	0	371.489	1.813	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(F)c2OCC)C[C@@H]1n1ccnn1	ZINC001130057006	938641151	/nfs/dbraw/zinc/64/11/51/938641151.db2.gz	DVFRHOOJPAVBMI-SJORKVTESA-N	1	0	371.416	1.495	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccn2C2CCCC2)C[C@@H]1n1ccnn1	ZINC001130065718	938653297	/nfs/dbraw/zinc/65/32/97/938653297.db2.gz	PZFDGAXYFFAFGX-MJGOQNOKSA-N	1	0	366.469	1.873	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cccn2)C[C@@H]1n1ccnn1	ZINC001130077444	938670774	/nfs/dbraw/zinc/67/07/74/938670774.db2.gz	JBAQUCWZLOJJLS-ZACQAIPSSA-N	1	0	357.462	1.434	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCCCC(N)=O)C[C@@H]1n1ccnn1	ZINC001130079509	938672518	/nfs/dbraw/zinc/67/25/18/938672518.db2.gz	NICRVLOGOVMHEM-OAGGEKHMSA-N	1	0	362.478	1.020	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2cc(C)ccc2F)C[C@@H]1n1ccnn1	ZINC001130094676	938679354	/nfs/dbraw/zinc/67/93/54/938679354.db2.gz	PIANFPQVNHIMTA-MSOLQXFVSA-N	1	0	355.417	1.333	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@H](C)CC2)C[C@@H]1n1ccnn1	ZINC001130099763	938682500	/nfs/dbraw/zinc/68/25/00/938682500.db2.gz	NNGPCTJKJSNBPX-TVFCKZIOSA-N	1	0	359.474	1.096	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(NC(C)=O)cc2)C[C@@H]1n1ccnn1	ZINC001130102154	938684237	/nfs/dbraw/zinc/68/42/37/938684237.db2.gz	JVPCXWBNHOOSPJ-MSOLQXFVSA-N	1	0	368.441	1.468	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(OC)cccc2OC)C[C@@H]1n1ccnn1	ZINC001130102446	938684811	/nfs/dbraw/zinc/68/48/11/938684811.db2.gz	ZAMUNBJCFFSOHN-CABCVRRESA-N	1	0	371.441	1.527	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CC(C)(C)CC(F)(F)F)C[C@@H]1n1ccnn1	ZINC001130105080	938685999	/nfs/dbraw/zinc/68/59/99/938685999.db2.gz	JQNUIDAQDUUBST-OLZOCXBDSA-N	1	0	357.380	1.622	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(COC)c(F)c2)C[C@@H]1n1ccnn1	ZINC001130105353	938686295	/nfs/dbraw/zinc/68/62/95/938686295.db2.gz	YKCOGRRXIFAZFE-MSOLQXFVSA-N	1	0	371.416	1.242	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2[nH]cnc2CC)C[C@@H]1n1ccnn1	ZINC001130110104	938688940	/nfs/dbraw/zinc/68/89/40/938688940.db2.gz	VGYCHAHSUIEKAU-BMFZPTHFSA-N	1	0	357.462	1.574	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCOc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130111318	938690255	/nfs/dbraw/zinc/69/02/55/938690255.db2.gz	COVSTQJNDRNHCA-MSOLQXFVSA-N	1	0	355.442	1.665	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3c(s2)CCC3)C[C@@H]1n1ccnn1	ZINC001130111897	938690567	/nfs/dbraw/zinc/69/05/67/938690567.db2.gz	MKXBOEZWOWSYPP-CABCVRRESA-N	1	0	355.467	1.507	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001130111963	938690795	/nfs/dbraw/zinc/69/07/95/938690795.db2.gz	PHECGEZZMPCMGA-MOPGFXCFSA-N	1	0	367.453	1.200	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2ccccc2OC)C[C@@H]1n1ccnn1	ZINC001130112465	938691951	/nfs/dbraw/zinc/69/19/51/938691951.db2.gz	AYENAEPIAWGEDK-MSOLQXFVSA-N	1	0	369.469	1.837	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCOc2ccccc2F)C[C@@H]1n1ccnn1	ZINC001130112726	938692655	/nfs/dbraw/zinc/69/26/55/938692655.db2.gz	OGGSSQJUFHGDSW-SJORKVTESA-N	1	0	371.416	1.251	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2sc(C)nc2C)C[C@@H]1n1ccnn1	ZINC001130115140	938694552	/nfs/dbraw/zinc/69/45/52/938694552.db2.gz	VYKLSADMSNJNHO-CABCVRRESA-N	1	0	360.487	1.973	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cn2ccc3ccccc32)C[C@@H]1n1ccnn1	ZINC001130129704	938699268	/nfs/dbraw/zinc/69/92/68/938699268.db2.gz	SYVPAQXNWPWPDN-MJGOQNOKSA-N	1	0	364.453	1.851	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c(C)noc2CC)C[C@@H]1n1ccnn1	ZINC001130118531	938701757	/nfs/dbraw/zinc/70/17/57/938701757.db2.gz	KFVAGUDRKDNWAY-CABCVRRESA-N	1	0	358.446	1.758	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2c(C)n[nH]c2C)C[C@@H]1n1ccnn1	ZINC001130123620	938705700	/nfs/dbraw/zinc/70/57/00/938705700.db2.gz	WGDRLLRXVOVIDE-MSOLQXFVSA-N	1	0	371.489	1.559	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C3CCCC3)no2)C[C@@H]1n1ccnn1	ZINC001130132786	938707803	/nfs/dbraw/zinc/70/78/03/938707803.db2.gz	PBMIRHFCNPUXMN-SJORKVTESA-N	1	0	368.441	1.602	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCOc2cccc(OC)c2)C[C@@H]1n1ccnn1	ZINC001130137040	938709990	/nfs/dbraw/zinc/70/99/90/938709990.db2.gz	GHPNEVZWYFAPRL-MSOLQXFVSA-N	1	0	371.441	1.283	20	30		FDEDRO
C=C[C@H](C(=O)N1C[C@@H]([NH2+]CCOC)[C@@H](n2ccnn2)C1)c1ccccc1	ZINC001130143261	938714463	/nfs/dbraw/zinc/71/44/63/938714463.db2.gz	QNSNMVIXCCNWIL-KSZLIROESA-N	1	0	355.442	1.236	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n2ccnn2)C1	ZINC001130150869	938715350	/nfs/dbraw/zinc/71/53/50/938715350.db2.gz	DJAMXDCKCASKPN-OLZOCXBDSA-N	1	0	361.368	1.165	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2COc3ccccc32)C[C@@H]1n1ccnn1	ZINC001130151607	938716289	/nfs/dbraw/zinc/71/62/89/938716289.db2.gz	ZOBBSJZFQIYAET-KSZLIROESA-N	1	0	367.453	1.762	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2C2CC2)C[C@@H]1n1ccnn1	ZINC001130153556	938717568	/nfs/dbraw/zinc/71/75/68/938717568.db2.gz	YLMDZCIIHSCKNH-CVEARBPZSA-N	1	0	355.446	1.120	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CC2CCC(OC)CC2)C[C@@H]1n1ccnn1	ZINC001130163348	938722043	/nfs/dbraw/zinc/72/20/43/938722043.db2.gz	HFXVWENRYIMCQV-HIEASXQVSA-N	1	0	359.474	1.238	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C23CC(C(C)(C)C)(C2)C3)C[C@@H]1n1ccnn1	ZINC001130148642	938722728	/nfs/dbraw/zinc/72/27/28/938722728.db2.gz	XYJLNJBOMRBFPM-ZNVHBHFFSA-N	1	0	355.486	1.859	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)F)[nH]1	ZINC001130179502	938726677	/nfs/dbraw/zinc/72/66/77/938726677.db2.gz	GPBYEPBRAPOODG-STQMWFEESA-N	1	0	353.442	1.597	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)OCC)[nH]1	ZINC001130187982	938734502	/nfs/dbraw/zinc/73/45/02/938734502.db2.gz	SOWIBUJUYVMFLW-KKUMJFAQSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ncoc2C)[nH]1	ZINC001130190520	938735333	/nfs/dbraw/zinc/73/53/33/938735333.db2.gz	CTSPRIJBQDSAMN-STQMWFEESA-N	1	0	360.418	1.069	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ncoc2C)[nH]1	ZINC001130190813	938735969	/nfs/dbraw/zinc/73/59/69/938735969.db2.gz	OQTIXEDIXJVETI-STQMWFEESA-N	1	0	360.418	1.069	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=C2CCCCC2)[nH]1	ZINC001130191017	938736457	/nfs/dbraw/zinc/73/64/57/938736457.db2.gz	YXVHRPQPQFRKLN-IRXDYDNUSA-N	1	0	371.485	1.797	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)C2CC2)[nH]1	ZINC001130195825	938738761	/nfs/dbraw/zinc/73/87/61/938738761.db2.gz	DYTKMXVXQDWOPL-BPUTZDHNSA-N	1	0	361.490	1.895	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2C(C)(C)C2(C)C)n1	ZINC001130198594	938740803	/nfs/dbraw/zinc/74/08/03/938740803.db2.gz	PXRNJGRFYCLHQZ-STQMWFEESA-N	1	0	359.474	1.198	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccc(C)n2)[nH]1	ZINC001130185018	938744074	/nfs/dbraw/zinc/74/40/74/938744074.db2.gz	SCAQMMPXZPVWQX-ZFWWWQNUSA-N	1	0	356.430	1.086	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2=CCCCCC2)[nH]1	ZINC001130204734	938745835	/nfs/dbraw/zinc/74/58/35/938745835.db2.gz	HVDLWKYIRUMZDA-IRXDYDNUSA-N	1	0	371.485	1.797	20	30		FDEDRO
C#CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCCC)[nH]1	ZINC001130209650	938747675	/nfs/dbraw/zinc/74/76/75/938747675.db2.gz	JFAPBJLFBPZQFB-HOTGVXAUSA-N	1	0	361.490	1.877	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC(C)(C)CC)n1	ZINC001130213068	938750070	/nfs/dbraw/zinc/75/00/70/938750070.db2.gz	RYDRRHBTZOSSPJ-GJZGRUSLSA-N	1	0	361.490	1.733	20	30		FDEDRO
CC(C)=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C#CC2CC2)[nH]1	ZINC001130213234	938750313	/nfs/dbraw/zinc/75/03/13/938750313.db2.gz	VHXRITHPDXQCBJ-HOTGVXAUSA-N	1	0	357.458	1.263	20	30		FDEDRO
C=C(C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C/C=C/Cl)[nH]1	ZINC001130215947	938752253	/nfs/dbraw/zinc/75/22/53/938752253.db2.gz	JHEBOZXRHQVKKH-VBMNXFDGSA-N	1	0	367.881	1.992	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(CC)o2)n1	ZINC001130220752	938756187	/nfs/dbraw/zinc/75/61/87/938756187.db2.gz	KRPUAIYMWJBAEO-HOCLYGCPSA-N	1	0	371.441	1.376	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)CC(F)F)[nH]1	ZINC001130224770	938758647	/nfs/dbraw/zinc/75/86/47/938758647.db2.gz	BCWGJOFOQSMLQF-AGIUHOORSA-N	1	0	371.432	1.750	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(CCF)CC2)[nH]1	ZINC001130224774	938758654	/nfs/dbraw/zinc/75/86/54/938758654.db2.gz	BERJYCWFDCKACD-KBPBESRZSA-N	1	0	363.437	1.046	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@]23C[C@H]2CCC3)[nH]1	ZINC001130227609	938761323	/nfs/dbraw/zinc/76/13/23/938761323.db2.gz	GTZHIXMPWACRLU-MMMWYMCRSA-N	1	0	359.474	1.649	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](F)CC)n1	ZINC001130229784	938763365	/nfs/dbraw/zinc/76/33/65/938763365.db2.gz	GAWCSPMQDPNQDO-SRVKXCTJSA-N	1	0	359.833	1.384	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)OCCCSCC#N)CC1=O	ZINC000805542183	938770239	/nfs/dbraw/zinc/77/02/39/938770239.db2.gz	IOWGRKTVNHWTLM-CABCVRRESA-N	1	0	353.488	1.509	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccnc(C)c2)[nH]1	ZINC001130244864	938770670	/nfs/dbraw/zinc/77/06/70/938770670.db2.gz	OGVFKOQXAKCJFE-GJZGRUSLSA-N	1	0	356.430	1.086	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2oc(CC)cc2C)n1	ZINC001130247071	938772137	/nfs/dbraw/zinc/77/21/37/938772137.db2.gz	SMNUPCQDNYAECZ-GJZGRUSLSA-N	1	0	371.441	1.294	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(CC)cc2)[nH]1	ZINC001130249056	938773148	/nfs/dbraw/zinc/77/31/48/938773148.db2.gz	HUMRKEXRRSZNNO-IRXDYDNUSA-N	1	0	369.469	1.945	20	30		FDEDRO
C#Cc1ccccc1CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC)[nH]1	ZINC001130248964	938773243	/nfs/dbraw/zinc/77/32/43/938773243.db2.gz	CGDSKVITIIOPPQ-IRXDYDNUSA-N	1	0	367.453	1.127	20	30		FDEDRO
C=CCCOCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(=C)C)[nH]1	ZINC001130251155	938774333	/nfs/dbraw/zinc/77/43/33/938774333.db2.gz	FFWWMLRDSJWNGZ-GJZGRUSLSA-N	1	0	363.462	1.052	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)COc2ccccc2)[nH]1	ZINC001130251460	938774958	/nfs/dbraw/zinc/77/49/58/938774958.db2.gz	WFFLEXFRKBFRSO-HOTGVXAUSA-N	1	0	371.441	1.148	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](CC)SC)CC1	ZINC001130282302	938779697	/nfs/dbraw/zinc/77/96/97/938779697.db2.gz	RNWAFUAPSWUHFW-RYRKJORJSA-N	1	0	365.543	1.627	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[C@H]2CCCO2)CC1	ZINC001130274329	938786552	/nfs/dbraw/zinc/78/65/52/938786552.db2.gz	HMENUCBOBLYGMF-HLIPFELVSA-N	1	0	361.486	1.054	20	30		FDEDRO
C=CCOCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)CC)CC1	ZINC001130274614	938786985	/nfs/dbraw/zinc/78/69/85/938786985.db2.gz	WHWMEPCBTSGQBK-WDYCEAGBSA-N	1	0	365.518	1.711	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)OCCC=C)CC1	ZINC001130279044	938789354	/nfs/dbraw/zinc/78/93/54/938789354.db2.gz	RCFRTETVNSMVSF-SUMDDJOVSA-N	1	0	361.486	1.076	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCC#C)CC1	ZINC001130285950	938790656	/nfs/dbraw/zinc/79/06/56/938790656.db2.gz	QRFNIGAIQOLALM-NQIIRXRSSA-N	1	0	357.498	1.679	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC(C)C)CC1	ZINC001130290839	938795419	/nfs/dbraw/zinc/79/54/19/938795419.db2.gz	NKZWROXDZWYXOI-XLIONFOSSA-N	1	0	363.502	1.158	20	30		FDEDRO
COCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C#CC(C)C)CC1	ZINC001130291126	938795729	/nfs/dbraw/zinc/79/57/29/938795729.db2.gz	YIERXLOBLOUIJA-XLIONFOSSA-N	1	0	363.502	1.158	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC2CCC2)CC1	ZINC001130290884	938795731	/nfs/dbraw/zinc/79/57/31/938795731.db2.gz	PZROJVNGEBEBCD-NQIIRXRSSA-N	1	0	357.498	1.675	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@@H](C)O)CC1	ZINC001130293053	938796809	/nfs/dbraw/zinc/79/68/09/938796809.db2.gz	KPPVPWOUZXYGET-OGWOLHLISA-N	1	0	365.518	1.445	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2(CC=C)CCC2)CC1	ZINC001130298924	938798951	/nfs/dbraw/zinc/79/89/51/938798951.db2.gz	MYQPBGKTYFBWEA-MJGOQNOKSA-N	1	0	357.498	1.841	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)C(C)(F)F)CC1	ZINC001130302031	938800586	/nfs/dbraw/zinc/80/05/86/938800586.db2.gz	NHJRAXHNNVNHKT-LXZKKBNFSA-N	1	0	369.456	1.776	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCOC)CC1	ZINC001130305400	938803687	/nfs/dbraw/zinc/80/36/87/938803687.db2.gz	YTOURYVTFQVIDQ-AEFFLSMTSA-N	1	0	365.518	1.711	20	30		FDEDRO
C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3ncc(C#N)cn3)cc2)CC1	ZINC001170485995	938806529	/nfs/dbraw/zinc/80/65/29/938806529.db2.gz	ICCLBEBKTVHLTD-IUDNXUCKSA-N	1	0	350.426	1.720	20	30		FDEDRO
C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3nnccc3C#N)cc2)CC1	ZINC001170486381	938808146	/nfs/dbraw/zinc/80/81/46/938808146.db2.gz	HTSFIQHACRWBCX-WLYUNCDWSA-N	1	0	350.426	1.720	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(F)cc2)C[C@H]1c1cn(C)cn1	ZINC001130478705	938868782	/nfs/dbraw/zinc/86/87/82/938868782.db2.gz	GDIMNSUCLNUOIE-PKOBYXMFSA-N	1	0	370.428	1.407	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnccn2)C[C@H]1c1cn(C)cn1	ZINC001130480662	938875969	/nfs/dbraw/zinc/87/59/69/938875969.db2.gz	ZNSCSDOSISQNHI-RVKKMQEKSA-N	1	0	354.458	1.763	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1c1cn(C)cn1	ZINC001130578314	939890677	/nfs/dbraw/zinc/89/06/77/939890677.db2.gz	HCVQXCFRPIQIQS-OFQRWUPVSA-N	1	0	357.462	1.101	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3n[nH]cc32)C[C@H]1c1cn(C)cn1	ZINC001130590146	939896201	/nfs/dbraw/zinc/89/62/01/939896201.db2.gz	BLGAGIAWMYIQKV-SIXWZSSISA-N	1	0	366.469	1.171	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(OC)ns2)C[C@H]1c1cn(C)cn1	ZINC001130593341	939900369	/nfs/dbraw/zinc/90/03/69/939900369.db2.gz	XDOHJUSSJRVIFI-GXTWGEPZSA-N	1	0	361.471	1.659	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)c1C#N	ZINC000806381215	939907663	/nfs/dbraw/zinc/90/76/63/939907663.db2.gz	VAWUEBSXEBAMGP-INIZCTEOSA-N	1	0	370.388	1.704	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCCn2ccnn2)C[C@H]1c1cn(C)cn1	ZINC001130610268	939907690	/nfs/dbraw/zinc/90/76/90/939907690.db2.gz	FMAMJXZAANXHDT-FUHWJXTLSA-N	1	0	371.489	1.342	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2scnc2CC)C[C@H]1c1cn(C)cn1	ZINC001130604495	939915775	/nfs/dbraw/zinc/91/57/75/939915775.db2.gz	CXDMHDSWAAGBAZ-XJKSGUPXSA-N	1	0	357.483	1.660	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)[nH]nc2Cl)C[C@H]1c1cn(C)cn1	ZINC001130607461	939918911	/nfs/dbraw/zinc/91/89/11/939918911.db2.gz	BSQBZRLUAAUNGQ-GXTWGEPZSA-N	1	0	360.849	1.326	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOCC)C1	ZINC001130607986	939919975	/nfs/dbraw/zinc/91/99/75/939919975.db2.gz	VKNRLHHGYSMSCY-FUHWJXTLSA-N	1	0	371.485	1.642	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COC2CCCCC2)C[C@H]1c1cn(C)cn1	ZINC001130622121	939920509	/nfs/dbraw/zinc/92/05/09/939920509.db2.gz	QWHAKAMDCKAZFP-PKOBYXMFSA-N	1	0	358.486	1.677	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1cn(C)cn1	ZINC001130628372	939921259	/nfs/dbraw/zinc/92/12/59/939921259.db2.gz	NYHITMRDHNUFHF-AKNMPFFMSA-N	1	0	356.470	1.304	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccnc(OC)n2)C[C@H]1c1cn(C)cn1	ZINC001130627033	939924514	/nfs/dbraw/zinc/92/45/14/939924514.db2.gz	XKQDVGUMEXPKLM-WMLDXEAASA-N	1	0	370.457	1.383	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2ccncc2)C[C@H]1c1cn(C)cn1	ZINC001130619367	939930163	/nfs/dbraw/zinc/93/01/63/939930163.db2.gz	OHUYLWJUSGORLX-PKOBYXMFSA-N	1	0	353.470	1.908	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ncccc2CC)C[C@H]1c1cn(C)cn1	ZINC001130619450	939930193	/nfs/dbraw/zinc/93/01/93/939930193.db2.gz	RSQIAMZVQRCFSH-FUHWJXTLSA-N	1	0	351.454	1.599	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn(C(C)(C)C)c2)C[C@H]1c1cn(C)cn1	ZINC001130619494	939930436	/nfs/dbraw/zinc/93/04/36/939930436.db2.gz	UEZOVOJMPMTCPF-FUHWJXTLSA-N	1	0	368.485	1.593	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130630264	939934721	/nfs/dbraw/zinc/93/47/21/939934721.db2.gz	JROMHAFASVGCTA-PKOBYXMFSA-N	1	0	365.481	1.961	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCn2cccn2)C1	ZINC001130652396	939946831	/nfs/dbraw/zinc/94/68/31/939946831.db2.gz	SGGVBPHVVSOFEY-ZIFCJYIRSA-N	1	0	370.501	1.803	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2CCC(OC)CC2)C[C@H]1c1cn(C)cn1	ZINC001130654275	939947868	/nfs/dbraw/zinc/94/78/68/939947868.db2.gz	CTNUBYVJPAQINR-BXNZUYAZSA-N	1	0	358.486	1.533	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOCCOC)C1	ZINC001130642281	939949777	/nfs/dbraw/zinc/94/97/77/939949777.db2.gz	JGRUXYDGPBYHIG-DOTOQJQBSA-N	1	0	364.490	1.179	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@]2(C)C=CCC2)C[C@H]1c1cn(C)cn1	ZINC001130644441	939952509	/nfs/dbraw/zinc/95/25/09/939952509.db2.gz	RXVVYSJNYXFJDQ-ILZDJORESA-N	1	0	358.486	1.863	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnn(C)c2)C1	ZINC001130664492	939957428	/nfs/dbraw/zinc/95/74/28/939957428.db2.gz	RJPXHTINSNYZTR-FUHWJXTLSA-N	1	0	356.474	1.594	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(=O)NCC)C1	ZINC001130656753	939960856	/nfs/dbraw/zinc/96/08/56/939960856.db2.gz	OJXVNCNOQSEDQN-HLLBOEOZSA-N	1	0	361.490	1.043	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]C[C@H](C)OC)C2)c1	ZINC001130669912	939970439	/nfs/dbraw/zinc/97/04/39/939970439.db2.gz	MXTCLURCSXRYOD-UCLAIMLFSA-N	1	0	367.453	1.029	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccnc(C3CC3)n2)C[C@H]1c1cn(C)cn1	ZINC001130685083	939974482	/nfs/dbraw/zinc/97/44/82/939974482.db2.gz	CSSXWPVGVWWWPV-MAUKXSAKSA-N	1	0	364.453	1.309	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccn(C(C)C)n2)C[C@H]1c1cn(C)cn1	ZINC001130685150	939975011	/nfs/dbraw/zinc/97/50/11/939975011.db2.gz	GKVKYCGZYJWHKD-MAUKXSAKSA-N	1	0	356.474	1.971	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnc(C)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130692374	939980892	/nfs/dbraw/zinc/98/08/92/939980892.db2.gz	GWVGFQDEIOVBOL-PKOBYXMFSA-N	1	0	368.485	1.991	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130682811	939982710	/nfs/dbraw/zinc/98/27/10/939982710.db2.gz	KALFGLVYXIHDCO-KBXCAEBGSA-N	1	0	352.442	1.242	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](OC)c2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130714827	940006811	/nfs/dbraw/zinc/00/68/11/940006811.db2.gz	LAERDQAWIUOBTO-DFQSSKMNSA-N	1	0	366.465	1.715	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3c([nH]2)CCCC3)C[C@H]1c1cn(C)cn1	ZINC001130708251	940013898	/nfs/dbraw/zinc/01/38/98/940013898.db2.gz	DWYLOFINPOIRQR-OXJNMPFZSA-N	1	0	365.481	1.848	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C)cc2=O)C[C@H]1c1cn(C)cn1	ZINC001130708217	940013955	/nfs/dbraw/zinc/01/39/55/940013955.db2.gz	BVFHIUBAEJRQQV-FUHWJXTLSA-N	1	0	369.469	1.581	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ncoc2C(C)C)C[C@H]1c1cn(C)cn1	ZINC001130708551	940014469	/nfs/dbraw/zinc/01/44/69/940014469.db2.gz	XTNKBMNMRJRGQV-GOEBONIOSA-N	1	0	355.442	1.753	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]cnc2C)C[C@H]1c1cn(C)cn1	ZINC001130719178	940022084	/nfs/dbraw/zinc/02/20/84/940022084.db2.gz	BFMOXDYAEXPLLL-SIXWZSSISA-N	1	0	370.501	1.933	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ncccc2OC)C[C@H]1c1cn(C)cn1	ZINC001130719294	940022667	/nfs/dbraw/zinc/02/26/67/940022667.db2.gz	HYZLKYNXNQWPIL-DOTOQJQBSA-N	1	0	369.469	1.988	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)onc2CC)C[C@H]1c1cn(C)cn1	ZINC001130725991	940030820	/nfs/dbraw/zinc/03/08/20/940030820.db2.gz	KRLSBQJGAGGYEC-WMLDXEAASA-N	1	0	355.442	1.500	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCCOC)C1	ZINC001130741625	940037167	/nfs/dbraw/zinc/03/71/67/940037167.db2.gz	LIPFHOABFMGFRY-FUHWJXTLSA-N	1	0	364.490	1.323	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCCn2ccnc2)C[C@H]1c1cn(C)cn1	ZINC001130739807	940041448	/nfs/dbraw/zinc/04/14/48/940041448.db2.gz	OZOCJRCVKIBRJR-FUHWJXTLSA-N	1	0	356.474	1.557	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)COCCc2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130741434	940044811	/nfs/dbraw/zinc/04/48/11/940044811.db2.gz	BPJWBLLNSMJXSC-AZUAARDMSA-N	1	0	368.481	1.749	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ncccc2OCC)C[C@H]1c1cn(C)cn1	ZINC001130747581	940053204	/nfs/dbraw/zinc/05/32/04/940053204.db2.gz	YQOBSELPCVWPEJ-DOTOQJQBSA-N	1	0	367.453	1.435	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccncc3)n2)O1	ZINC001130749393	940054958	/nfs/dbraw/zinc/05/49/58/940054958.db2.gz	GMQOCZFOSGVXRC-LSDHHAIUSA-N	1	0	356.430	1.516	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](CC)OC)n2)O1	ZINC001130761536	940066919	/nfs/dbraw/zinc/06/69/19/940066919.db2.gz	AUGPXDUMVFNARL-BFHYXJOUSA-N	1	0	351.451	1.232	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccoc3)n2)O1	ZINC001130756511	940078658	/nfs/dbraw/zinc/07/86/58/940078658.db2.gz	LBYWNBGMUBAHGJ-QWHCGFSZSA-N	1	0	365.821	1.890	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CSC(C)C)n2)O1	ZINC001130757872	940082807	/nfs/dbraw/zinc/08/28/07/940082807.db2.gz	JOZFEYGPJJPVDV-UONOGXRCSA-N	1	0	365.503	1.396	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](CC)OCC)n2)O1	ZINC001130765295	940095764	/nfs/dbraw/zinc/09/57/64/940095764.db2.gz	MCNBWKGKTNELFY-BFHYXJOUSA-N	1	0	351.451	1.232	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)OCC(C)C)n2)O1	ZINC001130765450	940096375	/nfs/dbraw/zinc/09/63/75/940096375.db2.gz	TWDHKNROOKSUOB-SOUVJXGZSA-N	1	0	365.478	1.478	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)OCC)n2)O1	ZINC001130767457	940101638	/nfs/dbraw/zinc/10/16/38/940101638.db2.gz	JJCKUCUURSPOSR-QLFBSQMISA-N	1	0	365.478	1.622	20	30		FDEDRO
C=CCOCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC(C)C)O2)n[nH]1	ZINC001130768014	940103013	/nfs/dbraw/zinc/10/30/13/940103013.db2.gz	YPJXIRLEHXHSTH-UONOGXRCSA-N	1	0	351.451	1.089	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H](C)OC)n2)O1	ZINC001130769424	940106549	/nfs/dbraw/zinc/10/65/49/940106549.db2.gz	IZFUGZJVTVFZCQ-MELADBBJSA-N	1	0	351.451	1.232	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCC(C)(C)C)O2)n[nH]1	ZINC001130769761	940107101	/nfs/dbraw/zinc/10/71/01/940107101.db2.gz	NHSFTOVXGOPEAA-MELADBBJSA-N	1	0	362.478	1.826	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(=O)C(C)(C)C)n2)O1	ZINC001130772530	940112758	/nfs/dbraw/zinc/11/27/58/940112758.db2.gz	QJZANURLWGVXDZ-QWHCGFSZSA-N	1	0	363.462	1.422	20	30		FDEDRO
C=CC(C)(C)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C[C@@H](C)O)O2)n[nH]1	ZINC001130785070	940119495	/nfs/dbraw/zinc/11/94/95/940119495.db2.gz	CKYRWSZRLKXLQX-HZSPNIEDSA-N	1	0	365.478	1.214	20	30		FDEDRO
CC[C@@H](F)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C#CC3CC3)n2)O1	ZINC001130785216	940119575	/nfs/dbraw/zinc/11/95/75/940119575.db2.gz	GHNPJRDPWQZKGT-QLFBSQMISA-N	1	0	363.437	1.392	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cncnc3)n2)O1	ZINC001130778458	940132161	/nfs/dbraw/zinc/13/21/61/940132161.db2.gz	ZCMDZUQOQDOYMR-LSDHHAIUSA-N	1	0	371.445	1.301	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3C[C@@H]3C(F)F)n2)O1	ZINC001130781298	940137007	/nfs/dbraw/zinc/13/70/07/940137007.db2.gz	XJQCSLYADFTHMR-FIQHERPVSA-N	1	0	355.389	1.318	20	30		FDEDRO
C#CCCCNC(=O)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1	ZINC000806910092	940138324	/nfs/dbraw/zinc/13/83/24/940138324.db2.gz	RLLYQPIZSKXFPY-UHFFFAOYSA-N	1	0	356.470	1.676	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(C4CC4)CCC3)n2)O1	ZINC001130794510	940146203	/nfs/dbraw/zinc/14/62/03/940146203.db2.gz	XAHIXOTXNRNKFT-LSDHHAIUSA-N	1	0	359.474	1.997	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccsn3)n2)O1	ZINC001130787150	940154422	/nfs/dbraw/zinc/15/44/22/940154422.db2.gz	BJAJWOQZWPJCTC-WCQYABFASA-N	1	0	362.459	1.577	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@]3(C)CC=CCC3)n2)O1	ZINC001130787191	940154893	/nfs/dbraw/zinc/15/48/93/940154893.db2.gz	DGPXNCUXQARZIT-KHYOSLBOSA-N	1	0	357.458	1.610	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCC3(F)F)n2)O1	ZINC001130787580	940157092	/nfs/dbraw/zinc/15/70/92/940157092.db2.gz	ZIRVPUQODMNPSC-YNEHKIRRSA-N	1	0	367.400	1.299	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H]3C=CCCC3)n2)O1	ZINC001130792372	940169797	/nfs/dbraw/zinc/16/97/97/940169797.db2.gz	AESAWXPAPNHSRC-HRCADAONSA-N	1	0	357.458	1.610	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(CF)CC3)n2)O1	ZINC001130804889	940176483	/nfs/dbraw/zinc/17/64/83/940176483.db2.gz	RLHBRJMXERMEOJ-QWHCGFSZSA-N	1	0	351.426	1.556	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3C[C@@H]3C)n2)O1	ZINC001130799356	940191057	/nfs/dbraw/zinc/19/10/57/940191057.db2.gz	CUMCETNOAHZGQM-XYJRDEOASA-N	1	0	353.854	1.639	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3COCCO3)C2)ccc1F	ZINC001086647198	940200761	/nfs/dbraw/zinc/20/07/61/940200761.db2.gz	FATBPXLJGIHBPG-YXJHDRRASA-N	1	0	361.417	1.487	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)c3ccc(C)o3)n2)O1	ZINC001130811674	940205149	/nfs/dbraw/zinc/20/51/49/940205149.db2.gz	DIPOTZUCVKFKHB-OFQRWUPVSA-N	1	0	371.441	1.569	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H](C)COC)n2)O1	ZINC001130813764	940213417	/nfs/dbraw/zinc/21/34/17/940213417.db2.gz	WKCNFXJDDQSHFY-MELADBBJSA-N	1	0	351.451	1.089	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(C)(C)C(C)(F)F)n2)O1	ZINC001130816131	940217770	/nfs/dbraw/zinc/21/77/70/940217770.db2.gz	MBUQJXDJCMMJAC-NWDGAFQWSA-N	1	0	369.416	1.545	20	30		FDEDRO
CCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001130897716	940300939	/nfs/dbraw/zinc/30/09/39/940300939.db2.gz	LOXRGPAHLITSRL-QZTJIDSGSA-N	1	0	367.453	1.412	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1c1cncn1C	ZINC001130897861	940301559	/nfs/dbraw/zinc/30/15/59/940301559.db2.gz	OQEUSJUHBHYLPP-UKRRQHHQSA-N	1	0	356.430	1.080	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC=CCC2)C[C@H]1c1cncn1C	ZINC001130903196	940312000	/nfs/dbraw/zinc/31/20/00/940312000.db2.gz	YKUJPNQZUYEQSY-RCCFBDPRSA-N	1	0	356.470	1.310	20	30		FDEDRO
C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000807353060	940331313	/nfs/dbraw/zinc/33/13/13/940331313.db2.gz	DKUPMLFTMLOFOF-DZGCQCFKSA-N	1	0	374.416	1.752	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCC(=O)NCC)C[C@H]1c1cncn1C	ZINC001130935742	940331458	/nfs/dbraw/zinc/33/14/58/940331458.db2.gz	JIGAHBZBJDZEAV-HZPDHXFCSA-N	1	0	361.490	1.187	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@H]2CCc3ncnn32)C1	ZINC001130935816	940331933	/nfs/dbraw/zinc/33/19/33/940331933.db2.gz	MWLWHUDIMZXQLB-BZUAXINKSA-N	1	0	369.473	1.049	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccc(OC)nn2)C1	ZINC001130935628	940344650	/nfs/dbraw/zinc/34/46/50/940344650.db2.gz	CXUMCDFIORQTEX-HZPDHXFCSA-N	1	0	370.457	1.269	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCCCF)C1	ZINC001130948696	940346992	/nfs/dbraw/zinc/34/69/92/940346992.db2.gz	UPSRSQPBWFHQPA-HZPDHXFCSA-N	1	0	352.454	1.647	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)n2cccc2)C[C@H]1c1cncn1C	ZINC001130959473	940365338	/nfs/dbraw/zinc/36/53/38/940365338.db2.gz	NBODXHWPULTMIG-RCCFBDPRSA-N	1	0	369.469	1.017	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C/C=C\Cl)C1	ZINC001130982671	940397353	/nfs/dbraw/zinc/39/73/53/940397353.db2.gz	ASGNGRCAQFPLOW-ZCUOURRCSA-N	1	0	352.866	1.384	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccnn2C)C1	ZINC001130977894	940408863	/nfs/dbraw/zinc/40/88/63/940408863.db2.gz	GAGDBMCFLPRWTG-IAGOWNOFSA-N	1	0	354.458	1.041	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H](NC(=O)c2ccccn2)C(C)C)CC1	ZINC000747405038	940413159	/nfs/dbraw/zinc/41/31/59/940413159.db2.gz	SNHLNUNJISLWHL-GOSISDBHSA-N	1	0	356.470	1.440	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2ccnn2C)C[C@H]1c1cncn1C	ZINC001130991386	940414185	/nfs/dbraw/zinc/41/41/85/940414185.db2.gz	HCMGIGVZBMZNKV-BRWVUGGUSA-N	1	0	370.501	1.808	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H](OCC)C2=CCCC2)C[C@H]1c1cncn1C	ZINC001130991480	940414199	/nfs/dbraw/zinc/41/41/99/940414199.db2.gz	NEJBPLJNBKMWCN-GGPKGHCWSA-N	1	0	370.497	1.843	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@@H]2CCCCO2)C1	ZINC001130991628	940414710	/nfs/dbraw/zinc/41/47/10/940414710.db2.gz	URWQPIPXYGTDOR-RCCFBDPRSA-N	1	0	358.486	1.533	20	30		FDEDRO
CC(C)OCCC[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1cncn1C	ZINC001130985732	940422932	/nfs/dbraw/zinc/42/29/32/940422932.db2.gz	NFRVAPUWDHOUAN-QZTJIDSGSA-N	1	0	358.486	1.533	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2nnc(C)[nH]2)C[C@H]1c1cncn1C	ZINC001130986094	940423914	/nfs/dbraw/zinc/42/39/14/940423914.db2.gz	WGVOYVJNHLLCOF-NUEKZKHPSA-N	1	0	371.489	1.328	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(=O)NCCC)C1	ZINC001131001457	940427901	/nfs/dbraw/zinc/42/79/01/940427901.db2.gz	AZRLEHWMMJLXJD-HZPDHXFCSA-N	1	0	361.490	1.187	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccn(CC(C)C)n2)C[C@H]1c1cncn1C	ZINC001131003595	940429981	/nfs/dbraw/zinc/42/99/81/940429981.db2.gz	LMUSFAALUBSQQQ-SJLPKXTDSA-N	1	0	368.485	1.494	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@H]2CCOC2)C1	ZINC001131003919	940430316	/nfs/dbraw/zinc/43/03/16/940430316.db2.gz	UBMKLFCDBMPUEW-BRWVUGGUSA-N	1	0	360.502	1.943	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccnn2CC(C)C)C[C@H]1c1cncn1C	ZINC001131004064	940430325	/nfs/dbraw/zinc/43/03/25/940430325.db2.gz	ZUXUZCFKNVLQFX-IAGOWNOFSA-N	1	0	368.485	1.494	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C)NC(=O)CC)C[C@H]1c1cncn1C	ZINC001130999221	940435727	/nfs/dbraw/zinc/43/57/27/940435727.db2.gz	KXFNHCMVPWAMFA-ARFHVFGLSA-N	1	0	361.490	1.185	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1c1cncn1C	ZINC001131010428	940441052	/nfs/dbraw/zinc/44/10/52/940441052.db2.gz	LJSNVKXKBMVPDZ-GDBMZVCRSA-N	1	0	370.457	1.173	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2cncs2)C[C@H]1c1cncn1C	ZINC001131012112	940443694	/nfs/dbraw/zinc/44/36/94/940443694.db2.gz	BOMIROAMGLIGCT-HZPDHXFCSA-N	1	0	359.499	1.970	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2cnc(C)c2)C[C@H]1c1cncn1C	ZINC001131015409	940448589	/nfs/dbraw/zinc/44/85/89/940448589.db2.gz	WHLUKEIFRVPETR-IAGOWNOFSA-N	1	0	368.485	1.268	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2ccncc2)C[C@H]1c1cncn1C	ZINC001131022608	940456115	/nfs/dbraw/zinc/45/61/15/940456115.db2.gz	CGTIXCQJYFPUHI-QZTJIDSGSA-N	1	0	351.454	1.355	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)nc2)C[C@H]1c1cncn1C	ZINC001131026075	940459636	/nfs/dbraw/zinc/45/96/36/940459636.db2.gz	SKAFCPKTADNVMC-HZPDHXFCSA-N	1	0	353.426	1.045	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCOCC)C2)cc1	ZINC001131040334	940468471	/nfs/dbraw/zinc/46/84/71/940468471.db2.gz	SDZBEBAXMYHXIU-RTBURBONSA-N	1	0	366.465	1.636	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)nc2C)C[C@H]1c1cncn1C	ZINC001131033781	940470298	/nfs/dbraw/zinc/47/02/98/940470298.db2.gz	WWGYPMAQBCUTFP-QZTJIDSGSA-N	1	0	365.481	1.961	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2ccc(C)n2)C[C@H]1c1cncn1C	ZINC001131049112	940470539	/nfs/dbraw/zinc/47/05/39/940470539.db2.gz	PLAYYUHGARNGBA-RCCFBDPRSA-N	1	0	368.485	1.484	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@H](C)OC)C1	ZINC001131044188	940473188	/nfs/dbraw/zinc/47/31/88/940473188.db2.gz	RXOLTEKXJOHUFU-RCCFBDPRSA-N	1	0	360.502	1.923	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cc(C)no2)C1	ZINC001131046593	940475448	/nfs/dbraw/zinc/47/54/48/940475448.db2.gz	RIJKNWHPEIXQGR-QZTJIDSGSA-N	1	0	369.469	1.994	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2ccc(=O)[nH]c2)C[C@H]1c1cncn1C	ZINC001131055815	940481788	/nfs/dbraw/zinc/48/17/88/940481788.db2.gz	NLYGGBPURAIYQG-IAGOWNOFSA-N	1	0	367.453	1.061	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccnc(OCC)c2)C[C@H]1c1cncn1C	ZINC001131067945	940483165	/nfs/dbraw/zinc/48/31/65/940483165.db2.gz	CIAPDEHOCBMPPS-IAGOWNOFSA-N	1	0	369.469	1.988	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1c1cncn1C	ZINC001131070029	940484034	/nfs/dbraw/zinc/48/40/34/940484034.db2.gz	CMAVWQCVMFYXGN-IAGOWNOFSA-N	1	0	371.489	1.032	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3ccncc3C2)C[C@H]1c1cncn1C	ZINC001131073513	940485419	/nfs/dbraw/zinc/48/54/19/940485419.db2.gz	FFWLGWXJSSHCPH-QXAKKESOSA-N	1	0	365.481	1.690	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cccnn2)C[C@H]1c1cncn1C	ZINC001131093927	940496694	/nfs/dbraw/zinc/49/66/94/940496694.db2.gz	MLFZGPSAMKMECA-BFYDXBDKSA-N	1	0	354.458	1.763	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCOCC)C2)nc1	ZINC001131113378	940499383	/nfs/dbraw/zinc/49/93/83/940499383.db2.gz	YNUBVTYJXHMCBH-SJLPKXTDSA-N	1	0	367.453	1.031	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCC(=C)C)C2)cn1	ZINC001131113168	940499404	/nfs/dbraw/zinc/49/94/04/940499404.db2.gz	WEIHQOSFMIWMST-RTBURBONSA-N	1	0	363.465	1.960	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2oncc2C)C[C@H]1c1cncn1C	ZINC001131103440	940500917	/nfs/dbraw/zinc/50/09/17/940500917.db2.gz	KQSJLKKFHUBHBF-HUUCEWRRSA-N	1	0	359.430	1.117	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2coc(C3CCC3)n2)C[C@H]1c1cncn1C	ZINC001131103470	940501138	/nfs/dbraw/zinc/50/11/38/940501138.db2.gz	MIEVCLUVYGCBAG-HZPDHXFCSA-N	1	0	367.453	1.897	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cncnc2C2CC2)C[C@H]1c1cncn1C	ZINC001131117710	940504405	/nfs/dbraw/zinc/50/44/05/940504405.db2.gz	NQWGVCRJYFVRQH-IAGOWNOFSA-N	1	0	364.453	1.309	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ncccc2OC)C[C@H]1c1cncn1C	ZINC001131117592	940504515	/nfs/dbraw/zinc/50/45/15/940504515.db2.gz	GHSWDGSMQAHCND-HZPDHXFCSA-N	1	0	369.469	1.988	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cncnc2CC)C[C@H]1c1cncn1C	ZINC001131126188	940508031	/nfs/dbraw/zinc/50/80/31/940508031.db2.gz	VMWACYDQOAPEKK-SJLPKXTDSA-N	1	0	368.485	1.937	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2nccs2)C[C@H]1c1cncn1C	ZINC001131127803	940509702	/nfs/dbraw/zinc/50/97/02/940509702.db2.gz	DWIYKZOGYVJKKJ-HUUCEWRRSA-N	1	0	359.499	1.970	20	30		FDEDRO
C=C[C@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOC)C1)c1ccccc1	ZINC001131130434	940511085	/nfs/dbraw/zinc/51/10/85/940511085.db2.gz	MOXXSKVPAGPXLW-IPMKNSEASA-N	1	0	368.481	1.920	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCC=C)C[C@H]1c1cncn1C	ZINC001131132982	940512706	/nfs/dbraw/zinc/51/27/06/940512706.db2.gz	WIMPCLMZWNJQKP-GVDBMIGSSA-N	1	0	362.474	1.098	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)COC[C@@H]2CCCO2)C[C@H]1c1cncn1C	ZINC001131136563	940513542	/nfs/dbraw/zinc/51/35/42/940513542.db2.gz	SWORXGDSLQIDIJ-GVDBMIGSSA-N	1	0	362.474	1.076	20	30		FDEDRO
CCCCCCCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000808342165	940540509	/nfs/dbraw/zinc/54/05/09/940540509.db2.gz	RMBZEGYYZIBCRR-QZTJIDSGSA-N	1	0	367.534	1.957	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cccnc2)C1	ZINC001131298115	940545236	/nfs/dbraw/zinc/54/52/36/940545236.db2.gz	UBEBWSSUUGVDCI-KSZLIROESA-N	1	0	370.453	1.767	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCOC)C1	ZINC001131298185	940545271	/nfs/dbraw/zinc/54/52/71/940545271.db2.gz	WBHGYDIRAVCSSO-OAGGEKHMSA-N	1	0	351.447	1.095	20	30		FDEDRO
C[NH+](C)CCOc1ccc(/C=C/C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1	ZINC000808400414	940545616	/nfs/dbraw/zinc/54/56/16/940545616.db2.gz	LQISXJMKODZUSW-GSXXRBPTSA-N	1	0	368.481	1.839	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCSC)C1	ZINC001131301330	940547231	/nfs/dbraw/zinc/54/72/31/940547231.db2.gz	RTBJJFGJKQTLFE-OAGGEKHMSA-N	1	0	367.515	1.812	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCCC#CC)C1	ZINC001131310340	940550123	/nfs/dbraw/zinc/55/01/23/940550123.db2.gz	PBFSNCVBHCUJMX-KURKYZTESA-N	1	0	359.470	1.862	20	30		FDEDRO
C=C(C)CN1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1	ZINC001131318788	940551501	/nfs/dbraw/zinc/55/15/01/940551501.db2.gz	QQLUDMFEIWDGQN-BBWFWOEESA-N	1	0	364.490	1.009	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N1CC[NH+](C2CCOCC2)CC1	ZINC000747499615	940552316	/nfs/dbraw/zinc/55/23/16/940552316.db2.gz	OSGAIFIGPRGJSS-UHFFFAOYSA-N	1	0	357.454	1.705	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCO[C@H]2C=C)CC1	ZINC001131383540	940559516	/nfs/dbraw/zinc/55/95/16/940559516.db2.gz	MZONAGWNBLQNLT-KURKYZTESA-N	1	0	363.502	1.583	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCn2cncn2)CC1	ZINC001131424716	940566663	/nfs/dbraw/zinc/56/66/63/940566663.db2.gz	QIWKESNGSOXLFL-MJGOQNOKSA-N	1	0	361.490	1.620	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2COCCO2)CC1	ZINC001131426320	940566780	/nfs/dbraw/zinc/56/67/80/940566780.db2.gz	FEGBIXOHGOMSSY-SQNIBIBYSA-N	1	0	352.475	1.354	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)C(C)=O)CC1	ZINC001131429841	940567478	/nfs/dbraw/zinc/56/74/78/940567478.db2.gz	ZQHRSTOBPGPKHQ-WBVHZDCISA-N	1	0	357.882	1.203	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCOC)CC1	ZINC001131439642	940588842	/nfs/dbraw/zinc/58/88/42/940588842.db2.gz	LWTHSDNZHYGLIV-MJGOQNOKSA-N	1	0	352.475	1.049	20	30		FDEDRO
CCn1nc(C)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n1	ZINC001086669169	940598457	/nfs/dbraw/zinc/59/84/57/940598457.db2.gz	RGAAPTWUOJQYKH-DZGCQCFKSA-N	1	0	355.446	1.495	20	30		FDEDRO
COc1ccc(O)c([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)c1	ZINC000808743924	940599727	/nfs/dbraw/zinc/59/97/27/940599727.db2.gz	RRFFFEWCNYXCDA-LBPRGKRZSA-N	1	0	361.423	1.792	20	30		FDEDRO
C=CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(=O)NCC=C)CC1	ZINC001131448696	940602087	/nfs/dbraw/zinc/60/20/87/940602087.db2.gz	MYRAZLVUSHEZSU-SUMDDJOVSA-N	1	0	363.502	1.629	20	30		FDEDRO
CC(C)COCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)C#N)CC1	ZINC001131450989	940604119	/nfs/dbraw/zinc/60/41/19/940604119.db2.gz	BVRMGZHCDSNCAG-JQHSSLGASA-N	1	0	351.491	1.804	20	30		FDEDRO
C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2nccn2C)CC1	ZINC001131454226	940608344	/nfs/dbraw/zinc/60/83/44/940608344.db2.gz	RGQQKTGILCQFJK-APWZRJJASA-N	1	0	362.474	1.108	20	30		FDEDRO
C#CCCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H](O)COC)CC1	ZINC001131475904	940618882	/nfs/dbraw/zinc/61/88/82/940618882.db2.gz	IFUCMIGSSOFVTJ-GGPKGHCWSA-N	1	0	366.502	1.173	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2COCCN2C)CC1	ZINC001131470672	940626069	/nfs/dbraw/zinc/62/60/69/940626069.db2.gz	NURVNSXZLGWTAA-QYZOEREBSA-N	1	0	365.518	1.269	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@](C)(O)C=C)CC1	ZINC001131482980	940638385	/nfs/dbraw/zinc/63/83/85/940638385.db2.gz	ILHPPRBXULRIMZ-HOJAQTOUSA-N	1	0	366.502	1.502	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H](C)NC(N)=O)CC1	ZINC001131496399	940647884	/nfs/dbraw/zinc/64/78/84/940647884.db2.gz	YXIKFJBRGYDYPF-KYJSFNMBSA-N	1	0	366.506	1.385	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCC(=C)C)CC1	ZINC001131510392	940659084	/nfs/dbraw/zinc/65/90/84/940659084.db2.gz	FZEIQAAFSDNDLY-XLIONFOSSA-N	1	0	363.502	1.631	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2ccnn2C)CC1	ZINC001131506574	940668336	/nfs/dbraw/zinc/66/83/36/940668336.db2.gz	FHWPYFWIJYEFMW-QUCCMNQESA-N	1	0	358.486	1.362	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H](O)COC)CC1	ZINC001131506607	940668779	/nfs/dbraw/zinc/66/87/79/940668779.db2.gz	HDZRJGPPLDECSO-SCTDSRPQSA-N	1	0	368.518	1.582	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(C3CC3)nn2C)CC1	ZINC001131507000	940670108	/nfs/dbraw/zinc/67/01/08/940670108.db2.gz	ZWQQXQXOLQULJH-XLIONFOSSA-N	1	0	370.497	1.920	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)C(=O)C(C)C)CC1	ZINC001131515689	940681339	/nfs/dbraw/zinc/68/13/39/940681339.db2.gz	YPSOBGNSOHVZCK-MJGOQNOKSA-N	1	0	365.518	1.663	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnc(Cl)n2C)CC1	ZINC001131527935	940697537	/nfs/dbraw/zinc/69/75/37/940697537.db2.gz	FZOABKOECMLTIJ-ZBFHGGJFSA-N	1	0	364.877	1.696	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCc3cncn3C2)CC1	ZINC001131522738	940706503	/nfs/dbraw/zinc/70/65/03/940706503.db2.gz	WOWHDNKOBAXAIB-SXLOBPIMSA-N	1	0	370.497	1.455	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2n[nH]c3c2CCCC3)CC1	ZINC001131526533	940711387	/nfs/dbraw/zinc/71/13/87/940711387.db2.gz	XZSWKBRVNFHCEZ-QUCCMNQESA-N	1	0	370.497	1.911	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c[nH]c(=O)n2C)CC1	ZINC001131541619	940716370	/nfs/dbraw/zinc/71/63/70/940716370.db2.gz	VBLYJLVWSADEBO-WBVHZDCISA-N	1	0	362.474	1.691	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NC)CC1	ZINC001131558210	940732863	/nfs/dbraw/zinc/73/28/63/940732863.db2.gz	MZFHTHXKLLXWAB-HHXXYDBFSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(C(N)=O)co2)CC1	ZINC001131561754	940735167	/nfs/dbraw/zinc/73/51/67/940735167.db2.gz	CKPFXRVBPXQZJZ-WBVHZDCISA-N	1	0	361.442	1.554	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@]2(C)CCC(=O)NC2)CC1	ZINC001131547809	940736801	/nfs/dbraw/zinc/73/68/01/940736801.db2.gz	DPGWVBFQANZANB-IMFGXOCKSA-N	1	0	363.502	1.465	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c(C)nc[nH]c2=O)CC1	ZINC001131547921	940737267	/nfs/dbraw/zinc/73/72/67/940737267.db2.gz	JIZHGCLBOQWVDC-WBVHZDCISA-N	1	0	358.442	1.113	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCCC(=O)N2)CC1	ZINC001131564093	940740239	/nfs/dbraw/zinc/74/02/39/940740239.db2.gz	ANDJPFQEQBHMEW-LMMKCTJWSA-N	1	0	361.486	1.054	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)C(C)C)CC1	ZINC001131572122	940748560	/nfs/dbraw/zinc/74/85/60/940748560.db2.gz	DPXRHAJOKHGZGH-QRQLOZEOSA-N	1	0	350.503	1.914	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)C(C)C)CC1	ZINC001131573444	940749361	/nfs/dbraw/zinc/74/93/61/940749361.db2.gz	YFWLPWOVGRRSDM-WDYCEAGBSA-N	1	0	363.502	1.014	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2ccc(C)cc2=O)CC1	ZINC001131573273	940749452	/nfs/dbraw/zinc/74/94/52/940749452.db2.gz	VKXOUZQNANCRRJ-NQIIRXRSSA-N	1	0	371.481	1.166	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccn3ccnc23)CC1	ZINC001131578309	940755631	/nfs/dbraw/zinc/75/56/31/940755631.db2.gz	QGORGNQVTUFKDF-MOPGFXCFSA-N	1	0	366.465	1.957	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccc(OC)n2)CC1	ZINC001131588047	940757042	/nfs/dbraw/zinc/75/70/42/940757042.db2.gz	NWALUFGJQIYMJL-APWZRJJASA-N	1	0	357.454	1.713	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCOCCCOC)CC1	ZINC001131590565	940760268	/nfs/dbraw/zinc/76/02/68/940760268.db2.gz	JNYWJQZPNYDAPO-QUCCMNQESA-N	1	0	368.518	1.991	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)[C@@H](C)CC)CC1	ZINC001131604659	940773638	/nfs/dbraw/zinc/77/36/38/940773638.db2.gz	AMJVMIBCWUDWGB-WDYCEAGBSA-N	1	0	365.518	1.711	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1C#N	ZINC000809501419	940844629	/nfs/dbraw/zinc/84/46/29/940844629.db2.gz	IZTGENUEYFGEHH-INIZCTEOSA-N	1	0	372.469	1.277	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)[C@@H](C)C1	ZINC000809503449	940845399	/nfs/dbraw/zinc/84/53/99/940845399.db2.gz	ZQXHFOYUSXXQMY-WMLDXEAASA-N	1	0	372.469	1.372	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1C#N	ZINC000809504566	940846639	/nfs/dbraw/zinc/84/66/39/940846639.db2.gz	ZYISUFBJURXLLU-LSDHHAIUSA-N	1	0	372.469	1.420	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1C#N	ZINC000809504741	940846839	/nfs/dbraw/zinc/84/68/39/940846839.db2.gz	SMCUWSCBELYRLT-MRXNPFEDSA-N	1	0	370.453	1.127	20	30		FDEDRO
CCn1c(C)nnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1	ZINC001086676787	940949032	/nfs/dbraw/zinc/94/90/32/940949032.db2.gz	VNOHABGWURKWRR-DZGCQCFKSA-N	1	0	355.446	1.495	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1	ZINC000810068410	940951637	/nfs/dbraw/zinc/95/16/37/940951637.db2.gz	OLDZBCVKDGPJBS-QWHCGFSZSA-N	1	0	362.396	1.385	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H]1CCCN(c2cc[nH+]c(N)n2)C1	ZINC000810771423	941056341	/nfs/dbraw/zinc/05/63/41/941056341.db2.gz	QQPQZQRBTGEHTK-XJKSGUPXSA-N	1	0	367.409	1.910	20	30		FDEDRO
Cn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)nn1	ZINC001086687008	941075213	/nfs/dbraw/zinc/07/52/13/941075213.db2.gz	UFKXANPRTVNATC-JKSUJKDBSA-N	1	0	368.441	1.406	20	30		FDEDRO
CCn1ncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)n1	ZINC001086690425	941099562	/nfs/dbraw/zinc/09/95/62/941099562.db2.gz	KTKSTFTZAHGDBP-WMLDXEAASA-N	1	0	352.442	1.858	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1	ZINC001132864540	941140172	/nfs/dbraw/zinc/14/01/72/941140172.db2.gz	XFWSJGVMHPPOIF-QJPTWQEYSA-N	1	0	353.875	1.349	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C[N@@H+](CC)CCC)cc1	ZINC000811967165	941175401	/nfs/dbraw/zinc/17/54/01/941175401.db2.gz	LEWNSVQQOCCGFA-HNNXBMFYSA-N	1	0	365.499	1.448	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)C[C@@H]2C1	ZINC000812342952	941195980	/nfs/dbraw/zinc/19/59/80/941195980.db2.gz	NYSUQJWEJYGZRG-IKGGRYGDSA-N	1	0	356.445	1.934	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)NCc2ccccc2OC)CC1	ZINC000747820273	941274476	/nfs/dbraw/zinc/27/44/76/941274476.db2.gz	RUPHWHGBQVVHOJ-HNNXBMFYSA-N	1	0	357.454	1.161	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]Cc1cnn(Cc2ccccc2)c1	ZINC001134053203	941530020	/nfs/dbraw/zinc/53/00/20/941530020.db2.gz	OQZTUCGMXWZVPU-MOPGFXCFSA-N	1	0	354.454	1.728	20	30		FDEDRO
Cn1cncc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CC#Cc1ccc(Cl)cc1	ZINC001134049896	941538124	/nfs/dbraw/zinc/53/81/24/941538124.db2.gz	SXPSPWKFVHGBBS-IAGOWNOFSA-N	1	0	356.857	1.935	20	30		FDEDRO
Cn1cc([C@@H]2C[C@H]2C(=O)NCC[NH2+]Cc2ccc(OCC#N)cc2)cn1	ZINC001134124071	941573723	/nfs/dbraw/zinc/57/37/23/941573723.db2.gz	MYMWIFZSRQRDER-ZWKOTPCHSA-N	1	0	353.426	1.332	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnnn2CC)C1	ZINC001086717659	941574526	/nfs/dbraw/zinc/57/45/26/941574526.db2.gz	JRKKNHYTUSKWGG-JKSUJKDBSA-N	1	0	356.474	1.974	20	30		FDEDRO
COc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1C#N	ZINC001134138718	941581297	/nfs/dbraw/zinc/58/12/97/941581297.db2.gz	HSNFGDKGSIFDQX-ZWKOTPCHSA-N	1	0	350.422	1.971	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccn(CC)n2)C1	ZINC001086721395	941646616	/nfs/dbraw/zinc/64/66/16/941646616.db2.gz	XCGXKODGZJBUAV-SCTDSRPQSA-N	1	0	357.502	1.375	20	30		FDEDRO
CC(=NNC(=S)NCCN1CCOCC1)c1cccc(C[NH+](C)C)c1	ZINC000814717611	941711984	/nfs/dbraw/zinc/71/19/84/941711984.db2.gz	ZSJAKEMOYLCMTN-UHFFFAOYSA-N	1	0	363.531	1.269	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cn[nH]c(=O)c3)C2)s1	ZINC001086725403	941726015	/nfs/dbraw/zinc/72/60/15/941726015.db2.gz	ZCCQVEGJKNLONN-WCQYABFASA-N	1	0	357.439	1.804	20	30		FDEDRO
C[NH+](C)CCCNC(=S)NN=Cc1ncc(Br)s1	ZINC000814845403	941730921	/nfs/dbraw/zinc/73/09/21/941730921.db2.gz	LKYIJSKQVLVNGL-UHFFFAOYSA-N	1	0	350.311	1.655	20	30		FDEDRO
C#CCCCCCC(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1O	ZINC001195301711	970834618	/nfs/dbraw/zinc/83/46/18/970834618.db2.gz	PJJZVJZJOYNAKG-RTBURBONSA-N	1	0	350.503	1.938	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1cc(F)cc(C(=O)OCC)c1	ZINC000815082605	941776918	/nfs/dbraw/zinc/77/69/18/941776918.db2.gz	BONCJIPQILPASF-UHFFFAOYSA-N	1	0	356.419	1.236	20	30		FDEDRO
C=CCOCC[N@H+]1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1	ZINC000815095621	941782716	/nfs/dbraw/zinc/78/27/16/941782716.db2.gz	RQOOLRJMQXWLSH-MRXNPFEDSA-N	1	0	367.490	1.733	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1cccc(F)c1	ZINC001135067599	941883245	/nfs/dbraw/zinc/88/32/45/941883245.db2.gz	CWFLUXQYFUPZNR-WMZOPIPTSA-N	1	0	363.433	1.841	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N(CC)c1ccccc1	ZINC001135145766	941929449	/nfs/dbraw/zinc/92/94/49/941929449.db2.gz	SVGUHCXTVRDDAJ-HKUYNNGSSA-N	1	0	359.470	1.727	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)c1cc(F)ccc1F	ZINC001135147531	941942702	/nfs/dbraw/zinc/94/27/02/941942702.db2.gz	KWTYEUAYEVBCGK-XKQJLSEDSA-N	1	0	354.397	1.685	20	30		FDEDRO
C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3ccc(F)cc3OCC#N)C2)C1	ZINC000815746701	941953168	/nfs/dbraw/zinc/95/31/68/941953168.db2.gz	RFBZEKXARLPTPG-SFHVURJKSA-N	1	0	360.389	1.221	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1	ZINC000815733921	941956955	/nfs/dbraw/zinc/95/69/55/941956955.db2.gz	JKHMMNAODLEICE-MRXNPFEDSA-N	1	0	369.465	1.970	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(OCC(F)F)cc1	ZINC000815861503	941996908	/nfs/dbraw/zinc/99/69/08/941996908.db2.gz	LTRDBZLWDFEZFA-UHFFFAOYSA-N	1	0	353.369	1.340	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1	ZINC001086737078	942125767	/nfs/dbraw/zinc/12/57/67/942125767.db2.gz	WEALMXYELPLUHW-RWMBFGLXSA-N	1	0	353.854	1.173	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(OCC(N)=O)cc2)C1	ZINC001086751178	942269174	/nfs/dbraw/zinc/26/91/74/942269174.db2.gz	AHAXVEFRLDYFDB-DZGCQCFKSA-N	1	0	365.861	1.791	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(OC)n(C)n2)C1	ZINC001086752897	942302912	/nfs/dbraw/zinc/30/29/12/942302912.db2.gz	MPUJJPIHCDPEMR-NWDGAFQWSA-N	1	0	371.279	1.825	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C)c(C)cn3)C2)C1=O	ZINC001086763521	942409504	/nfs/dbraw/zinc/40/95/04/942409504.db2.gz	OPZHRLLWZMHUFN-RCCFBDPRSA-N	1	0	370.497	1.973	20	30		FDEDRO
C#CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2cccc(N(C)C)c2)C[C@H]1O	ZINC001195333623	970900750	/nfs/dbraw/zinc/90/07/50/970900750.db2.gz	LGYMZQBXOHYNIT-WOJBJXKFSA-N	1	0	357.498	1.998	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCO[C@H]1C=C	ZINC001170851764	942453106	/nfs/dbraw/zinc/45/31/06/942453106.db2.gz	AGFBAOVJZMCEJI-ZACQAIPSSA-N	1	0	351.491	1.534	20	30		FDEDRO
CN1C(=O)CC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001086777977	942454305	/nfs/dbraw/zinc/45/43/05/942454305.db2.gz	SWRLBAYSPYYYCD-KSZLIROESA-N	1	0	354.454	1.554	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCNC3=O)C2)c(F)c1	ZINC001086776474	942473184	/nfs/dbraw/zinc/47/31/84/942473184.db2.gz	HVFICCWHZCMFSN-IMJJTQAJSA-N	1	0	358.417	1.208	20	30		FDEDRO
Cc1cc(C#N)cc(C(=O)n2ccc(=[NH+]CCN3CCOCC3)c(N)c2)c1	ZINC001195408953	970913009	/nfs/dbraw/zinc/91/30/09/970913009.db2.gz	DJGZELGJIPOJRO-UHFFFAOYSA-N	1	0	365.437	1.172	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nccn3CC)C2)c1	ZINC001086798426	942635468	/nfs/dbraw/zinc/63/54/68/942635468.db2.gz	MYBIXSRFASPMCM-FUHWJXTLSA-N	1	0	351.454	1.968	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H](C)c3nnc(C)[nH]3)C2)c1	ZINC001086798621	942636121	/nfs/dbraw/zinc/63/61/21/942636121.db2.gz	XOTNFZGQXHFJFP-ISTRZQFTSA-N	1	0	352.442	1.739	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCCCC(=O)N3)C2)cc1	ZINC001086801083	942691691	/nfs/dbraw/zinc/69/16/91/942691691.db2.gz	OKJWXQVWFQIRDE-IPMKNSEASA-N	1	0	368.481	1.992	20	30		FDEDRO
N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CC[C@H](n2cncn2)C1	ZINC000776877903	970929677	/nfs/dbraw/zinc/92/96/77/970929677.db2.gz	KWLSQPXIXQZQMG-LSDHHAIUSA-N	1	0	359.393	1.762	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ncnn2CCC)C1	ZINC001086806470	942805616	/nfs/dbraw/zinc/80/56/16/942805616.db2.gz	VKOSXWBSIALKIJ-HZMVEIRTSA-N	1	0	361.490	1.654	20	30		FDEDRO
C=CCCN(OCc1ccccc1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1	ZINC000817984981	943118763	/nfs/dbraw/zinc/11/87/63/943118763.db2.gz	DKTRJJCVUBNXPS-QZTJIDSGSA-N	1	0	357.454	1.733	20	30		FDEDRO
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@@H]1CC[C@H](C#N)C1	ZINC000818231460	943202289	/nfs/dbraw/zinc/20/22/89/943202289.db2.gz	XAIDDTTWJOOIAQ-YNEHKIRRSA-N	1	0	356.879	1.986	20	30		FDEDRO
C=CCn1cc(C[NH2+][C@@H](C)C[C@H]2COCCN2C(=O)OC(C)(C)C)nn1	ZINC000818347147	943212444	/nfs/dbraw/zinc/21/24/44/943212444.db2.gz	MSYUMLKOZWMWEU-HOCLYGCPSA-N	1	0	365.478	1.968	20	30		FDEDRO
CC[NH2+]CC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1	ZINC000818501126	943257111	/nfs/dbraw/zinc/25/71/11/943257111.db2.gz	VGFDBPFMIQJQPX-SILNSSARSA-N	1	0	366.487	1.828	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(OC)cc1	ZINC000818595589	943327055	/nfs/dbraw/zinc/32/70/55/943327055.db2.gz	BZBIKULGPKCDGQ-SFHVURJKSA-N	1	0	357.454	1.371	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1ccn(S(=O)(=O)c2ccc(C)cc2)c1	ZINC000818602733	943328540	/nfs/dbraw/zinc/32/85/40/943328540.db2.gz	BAGDIADXSORONC-UHFFFAOYSA-N	1	0	373.478	1.718	20	30		FDEDRO
C=C[C@@H]1C[C@@]1(Nc1nc(N2CCC(C[NH3+])CC2)ncc1C)C(=O)OCC	ZINC001170914505	943339725	/nfs/dbraw/zinc/33/97/25/943339725.db2.gz	HNQTTZKVVIOQQA-BEFAXECRSA-N	1	0	359.474	1.880	20	30		FDEDRO
CN(C)S(=O)(=O)c1ccccc1C[NH2+]C[C@H](O)c1ccc(C#N)cc1	ZINC000818945558	943356674	/nfs/dbraw/zinc/35/66/74/943356674.db2.gz	KIUHXMBMABXYIM-KRWDZBQOSA-N	1	0	359.451	1.632	20	30		FDEDRO
CC(=O)c1ccc(OC[C@@H](O)C[NH2+]CCNc2ccc(C#N)cn2)cc1	ZINC000818952661	943361638	/nfs/dbraw/zinc/36/16/38/943361638.db2.gz	TWCJLCHENBLSIW-KRWDZBQOSA-N	1	0	354.410	1.597	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(C)ns3)C2)nn1	ZINC001086823755	943369051	/nfs/dbraw/zinc/36/90/51/943369051.db2.gz	UAZKQQRUBBLRND-UONOGXRCSA-N	1	0	360.487	1.917	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnc(C)nc3)C2)nn1	ZINC001086823827	943370548	/nfs/dbraw/zinc/37/05/48/943370548.db2.gz	YMULZNSJJJPCNU-GOEBONIOSA-N	1	0	355.446	1.251	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000818995761	943376548	/nfs/dbraw/zinc/37/65/48/943376548.db2.gz	YDMMVEWZKQYNAF-HZPDHXFCSA-N	1	0	354.495	1.429	20	30		FDEDRO
Cn1ccnc1[C@](O)(CC[NH2+]C[C@H](O)c1ccc(C#N)cc1)C(F)(F)F	ZINC000818969964	943387215	/nfs/dbraw/zinc/38/72/15/943387215.db2.gz	JZCRNBAQHCGIKD-GOEBONIOSA-N	1	0	368.359	1.755	20	30		FDEDRO
N#Cc1cccnc1NCC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000818975753	943390038	/nfs/dbraw/zinc/39/00/38/943390038.db2.gz	MPBHHRVFMJKOPA-CQSZACIVSA-N	1	0	357.370	1.303	20	30		FDEDRO
CC(=O)c1ccc(OC[C@H](O)C[NH2+]CCNc2ncccc2C#N)cc1	ZINC000818975893	943390047	/nfs/dbraw/zinc/39/00/47/943390047.db2.gz	NXVYVZPWFORBNI-QGZVFWFLSA-N	1	0	354.410	1.597	20	30		FDEDRO
CCN(C)c1ccccc1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000819032083	943409009	/nfs/dbraw/zinc/40/90/09/943409009.db2.gz	DJAXZNRRDRWUGW-UHFFFAOYSA-N	1	0	358.467	1.973	20	30		FDEDRO
CN(C)c1ccc(N2CCC([NH2+]C[C@H](O)CN(C)CCC#N)CC2)cc1	ZINC000819108768	943431542	/nfs/dbraw/zinc/43/15/42/943431542.db2.gz	NHEVNTNQBPPVMO-FQEVSTJZSA-N	1	0	359.518	1.517	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nonc3C)C2)nn1	ZINC001086824408	943432152	/nfs/dbraw/zinc/43/21/52/943432152.db2.gz	GIKOFTKGLUJBJL-UONOGXRCSA-N	1	0	359.434	1.234	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncc(C)cn3)C2)nn1	ZINC001086825241	943444299	/nfs/dbraw/zinc/44/42/99/943444299.db2.gz	ZROMELBTAQDWFH-JKSUJKDBSA-N	1	0	369.473	1.641	20	30		FDEDRO
CCOC(=O)c1ccc(N2CC([NH2+]C[C@@H](O)c3ccc(C#N)cc3)C2)nc1	ZINC000819220607	943493397	/nfs/dbraw/zinc/49/33/97/943493397.db2.gz	CARSCJFCSQODEH-GOSISDBHSA-N	1	0	366.421	1.642	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCC[N@@H+]1CCCOCC1	ZINC000819505466	943600102	/nfs/dbraw/zinc/60/01/02/943600102.db2.gz	GFWINJWRDWBHFM-HNNXBMFYSA-N	1	0	368.478	1.412	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C[C@@H]2C1	ZINC000819538742	943609278	/nfs/dbraw/zinc/60/92/78/943609278.db2.gz	UPABZRQRWRZKPH-PMPSAXMXSA-N	1	0	364.490	1.984	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1)c1ccc(F)cc1	ZINC000820496058	944073014	/nfs/dbraw/zinc/07/30/14/944073014.db2.gz	SUTZBIVCJFLWBW-GOSISDBHSA-N	1	0	374.460	1.696	20	30		FDEDRO
CON=C(C(=O)Nc1ccc(C[NH+](C)C)c(F)c1)c1csc(N)n1	ZINC000820597722	944138484	/nfs/dbraw/zinc/13/84/84/944138484.db2.gz	ZYMCAUMDIFFEAD-UHFFFAOYSA-N	1	0	351.407	1.915	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]nc3C3CC3)C2)C1=O	ZINC001086843781	944421182	/nfs/dbraw/zinc/42/11/82/944421182.db2.gz	VYJASJJMKANOKU-YSVLISHTSA-N	1	0	371.485	1.562	20	30		FDEDRO
C#CCN1C(=O)C[C@H]([NH+]2CCC(CN(C)C(=O)OC(C)(C)C)CC2)C1=O	ZINC000821771791	944658352	/nfs/dbraw/zinc/65/83/52/944658352.db2.gz	NMRVERNILCIHTM-HNNXBMFYSA-N	1	0	363.458	1.326	20	30		FDEDRO
CON=C(C(=O)NCc1ccc(CC[NH+](C)C)cc1)c1csc(N)n1	ZINC000822324912	944939885	/nfs/dbraw/zinc/93/98/85/944939885.db2.gz	PEBDOQHQJWBSAP-UHFFFAOYSA-N	1	0	361.471	1.496	20	30		FDEDRO
C#CCn1cc(CNC(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)cn1	ZINC000822494107	945014275	/nfs/dbraw/zinc/01/42/75/945014275.db2.gz	GMUMWIPRODGXGA-UHFFFAOYSA-N	1	0	366.425	1.063	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)NCC1CC[NH+](CC2CC2)CC1	ZINC000856416636	971136706	/nfs/dbraw/zinc/13/67/06/971136706.db2.gz	UFWBIZXLVARZGH-VHEBQXMUSA-N	1	0	360.458	1.141	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N1CC[NH+](C(C)(C)COC)CC1	ZINC000823065271	945423846	/nfs/dbraw/zinc/42/38/46/945423846.db2.gz	YCEWCRIFTYPXIW-UHFFFAOYSA-N	1	0	359.470	1.951	20	30		FDEDRO
C#C[C@H](NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)C1CCOCC1	ZINC000823174229	945518610	/nfs/dbraw/zinc/51/86/10/945518610.db2.gz	YYXKGYLYBZYLBJ-WDSOQIARSA-N	1	0	362.518	1.082	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[N@@H+](C)C[C@@H]2CC)s1	ZINC000823196903	945557961	/nfs/dbraw/zinc/55/79/61/945557961.db2.gz	CGXIQOVIOGKWRL-ZDUSSCGKSA-N	1	0	371.528	1.308	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1O	ZINC001195733079	971160821	/nfs/dbraw/zinc/16/08/21/971160821.db2.gz	YJPNNCRDPJCCJB-RTBURBONSA-N	1	0	354.454	1.890	20	30		FDEDRO
COc1cc(C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)ccc1C#N	ZINC000823300616	945654711	/nfs/dbraw/zinc/65/47/11/945654711.db2.gz	RHKPZKHGOKPQNP-UHFFFAOYSA-N	1	0	351.410	1.966	20	30		FDEDRO
Cc1nc(N2C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)C2)ccc1C#N	ZINC001090711204	945936108	/nfs/dbraw/zinc/93/61/08/945936108.db2.gz	JCTOHWNRKFSCRZ-IIDMSEBBSA-N	1	0	371.485	1.171	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C)[NH+]1CCCC1	ZINC001090722208	945971572	/nfs/dbraw/zinc/97/15/72/945971572.db2.gz	WSWXDYNPYPELQC-IIDMSEBBSA-N	1	0	356.474	1.410	20	30		FDEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)c1ccc(C#N)cc1[O-])CC2	ZINC001195740356	971204042	/nfs/dbraw/zinc/20/40/42/971204042.db2.gz	DFHDUGSZWFWILY-UHFFFAOYSA-N	1	0	356.426	1.080	20	30		FDEDRO
C[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)COC1CC[NH+](C)CC1	ZINC001090754505	946274821	/nfs/dbraw/zinc/27/48/21/946274821.db2.gz	PCIGTQQEJAUJEE-RHSMWYFYSA-N	1	0	357.458	1.005	20	30		FDEDRO
CC[N@H+](C)Cc1cc(O[C@@H]2CCN(CC(=O)NC3(C#N)CCC3)C2)ccn1	ZINC000856585098	971235985	/nfs/dbraw/zinc/23/59/85/971235985.db2.gz	ZBYFEKVAOAIVMS-GOSISDBHSA-N	1	0	371.485	1.549	20	30		FDEDRO
CCN(CCC#N)C(=O)CN1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1	ZINC000856592809	971240059	/nfs/dbraw/zinc/24/00/59/971240059.db2.gz	XJDIDVYUSBSIEK-IBGZPJMESA-N	1	0	373.501	1.749	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1	ZINC001090787918	946620728	/nfs/dbraw/zinc/62/07/28/946620728.db2.gz	CVAWONXLYLZXIB-CRAIPNDOSA-N	1	0	364.453	1.816	20	30		FDEDRO
C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573281869	946681835	/nfs/dbraw/zinc/68/18/35/946681835.db2.gz	BSZGTLFIXQMURN-CQSZACIVSA-N	1	0	355.446	1.439	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C(C)(C)[C@H]21	ZINC001573282909	946701602	/nfs/dbraw/zinc/70/16/02/946701602.db2.gz	NOJUUYSLKLLIBA-SNPRPXQTSA-N	1	0	353.430	1.047	20	30		FDEDRO
CON=C(C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1csc(N)n1	ZINC000824777011	946749476	/nfs/dbraw/zinc/74/94/76/946749476.db2.gz	CBGYGEPNGWIREL-LBPRGKRZSA-N	1	0	351.476	1.314	20	30		FDEDRO
C#Cc1ccc(C(=O)NCCC[NH2+]Cc2ccccc2-c2nn[nH]n2)nc1	ZINC001573288736	946875824	/nfs/dbraw/zinc/87/58/24/946875824.db2.gz	SWXHIDBBZARWHV-UHFFFAOYSA-N	1	0	361.409	1.153	20	30		FDEDRO
CC(C)[C@H](CCN(C)C(=O)[C@@H](C)C#N)[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001573561282	946961897	/nfs/dbraw/zinc/96/18/97/946961897.db2.gz	JIYPXTOXYWSAJK-YOEHRIQHSA-N	1	0	369.473	1.989	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C1CC1	ZINC001573562742	946978978	/nfs/dbraw/zinc/97/89/78/946978978.db2.gz	XCLYKXZFAGHFGG-BZNIZROVSA-N	1	0	371.420	1.492	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H](C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573564388	946992306	/nfs/dbraw/zinc/99/23/06/946992306.db2.gz	ICGSDLIPAIKOED-UKRRQHHQSA-N	1	0	353.430	1.307	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1	ZINC001573294749	946997114	/nfs/dbraw/zinc/99/71/14/946997114.db2.gz	GIJUHQVOVDEURJ-LLVKDONJSA-N	1	0	363.853	1.778	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC([N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)CC1	ZINC001573565392	947007825	/nfs/dbraw/zinc/00/78/25/947007825.db2.gz	QRTHOYUBVZWDNO-NSHDSACASA-N	1	0	359.459	1.511	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1	ZINC001573565675	947012765	/nfs/dbraw/zinc/01/27/65/947012765.db2.gz	UDZRTLABYYZWBC-BZNIZROVSA-N	1	0	359.459	1.416	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)Cn1cnc2c(C)cccc2c1=O	ZINC000121436125	971313777	/nfs/dbraw/zinc/31/37/77/971313777.db2.gz	VMMQHESVWGEIGR-MRXNPFEDSA-N	1	0	355.438	1.982	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F	ZINC001573566519	947027431	/nfs/dbraw/zinc/02/74/31/947027431.db2.gz	CRLJPOOGLURJQD-WFASDCNBSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1	ZINC001573566853	947031543	/nfs/dbraw/zinc/03/15/43/947031543.db2.gz	HBNKZAJZLKWIGY-CHWSQXEVSA-N	1	0	373.486	1.901	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573567710	947052353	/nfs/dbraw/zinc/05/23/53/947052353.db2.gz	RGFZRIKASJYNJM-CHWSQXEVSA-N	1	0	354.418	1.096	20	30		FDEDRO
CCC1([NH+]2CCCC2)CCN(C(=O)C(=NOC)c2csc(N)n2)CC1	ZINC000825226942	947064276	/nfs/dbraw/zinc/06/42/76/947064276.db2.gz	UBKISPBNJHUCKU-UHFFFAOYSA-N	1	0	365.503	1.943	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC(O)(C[NH+]3CCCCC3)CC2)s1	ZINC001195916992	971320928	/nfs/dbraw/zinc/32/09/28/971320928.db2.gz	GWGWHQVWBDKMIY-UHFFFAOYSA-N	1	0	369.512	1.621	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@](C)(C[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1	ZINC001573569529	947070216	/nfs/dbraw/zinc/07/02/16/947070216.db2.gz	AQASKDATWRGQKT-KZULUSFZSA-N	1	0	353.430	1.401	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O	ZINC001195923444	971322547	/nfs/dbraw/zinc/32/25/47/971322547.db2.gz	BJKLZFLZVQWDKU-UMVBOHGHSA-N	1	0	352.397	1.719	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@](C)(C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CC1	ZINC001573570029	947082287	/nfs/dbraw/zinc/08/22/87/947082287.db2.gz	IPNMXMAPWOIOFH-BBATYDOGSA-N	1	0	371.420	1.540	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)CC[C@@H]2C1	ZINC001573570200	947083953	/nfs/dbraw/zinc/08/39/53/947083953.db2.gz	LXFLSSNHIIXNSL-LZWOXQAQSA-N	1	0	365.441	1.307	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CCCC1	ZINC001573571770	947101707	/nfs/dbraw/zinc/10/17/07/947101707.db2.gz	AQHIDSQZFAGCCR-GUYCJALGSA-N	1	0	367.457	1.791	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573300719	947120093	/nfs/dbraw/zinc/12/00/93/947120093.db2.gz	SQGBDXUGKBVNEM-HUUCEWRRSA-N	1	0	369.473	1.936	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@]1(C)CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573573813	947127070	/nfs/dbraw/zinc/12/70/70/947127070.db2.gz	PNSPNZJYUDGIKM-APPDUMDISA-N	1	0	357.393	1.246	20	30		FDEDRO
CC(C)[C@H](CNC(=O)[C@H](C)C#N)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1	ZINC001573576390	947152096	/nfs/dbraw/zinc/15/20/96/947152096.db2.gz	HLLVKGMVSGYXIV-ABAIWWIYSA-N	1	0	359.409	1.396	20	30		FDEDRO
C[NH+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H](Nc2ccc(C#N)nn2)C1	ZINC001090852831	947152952	/nfs/dbraw/zinc/15/29/52/947152952.db2.gz	AMXHEUFRPBTVEZ-ZWKOTPCHSA-N	1	0	364.453	1.706	20	30		FDEDRO
COc1cc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)ccc1C#N	ZINC000825330789	947155932	/nfs/dbraw/zinc/15/59/32/947155932.db2.gz	CRJMTLILXJVALJ-MRXNPFEDSA-N	1	0	358.442	1.239	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573576834	947157513	/nfs/dbraw/zinc/15/75/13/947157513.db2.gz	KDCREHYXFWSMJX-PKSQDBQZSA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@@]1(C)CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573577132	947161716	/nfs/dbraw/zinc/16/17/16/947161716.db2.gz	MPRGKCGOMOFNIY-SJKOYZFVSA-N	1	0	354.418	1.144	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC1(C)CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1	ZINC001573577924	947176995	/nfs/dbraw/zinc/17/69/95/947176995.db2.gz	VOKKVQXFTRUNKR-GFCCVEGCSA-N	1	0	373.486	1.806	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(C)=O)C[C@H]2c2ccc(OC)cc2)C1=O	ZINC001090858826	947211306	/nfs/dbraw/zinc/21/13/06/947211306.db2.gz	YZMLZUZZRMQGAN-GBESFXJTSA-N	1	0	357.454	1.386	20	30		FDEDRO
C[C@@H](NC(=O)[C@@H](C)C#N)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1	ZINC001573585330	947251001	/nfs/dbraw/zinc/25/10/01/947251001.db2.gz	ORVTWHHGGHZBOO-NWDGAFQWSA-N	1	0	354.418	1.142	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1	ZINC001573587232	947303599	/nfs/dbraw/zinc/30/35/99/947303599.db2.gz	YIJWRMJSIBKCBX-AVGNSLFASA-N	1	0	373.486	1.852	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@H]1c1ccc(OC)cc1	ZINC001090863253	947314283	/nfs/dbraw/zinc/31/42/83/947314283.db2.gz	DOMXJXHFTOBNEM-IPMKNSEASA-N	1	0	360.454	1.571	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2[NH2+]CCn2cncn2)cc1	ZINC001090866923	947360614	/nfs/dbraw/zinc/36/06/14/947360614.db2.gz	RJCZQPLVACAYJK-FHLIZLRMSA-N	1	0	368.441	1.031	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccccc3SCC#N)CC2)C1=O	ZINC000843886456	947379880	/nfs/dbraw/zinc/37/98/80/947379880.db2.gz	SOUKGIJKWMSJMT-MRXNPFEDSA-N	1	0	372.494	1.727	20	30		FDEDRO
C=CCCC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573328484	947408693	/nfs/dbraw/zinc/40/86/93/947408693.db2.gz	XBVKTNGTXKGSBS-SFHVURJKSA-N	1	0	374.420	1.025	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CC2OCCCO2)C[C@H]1c1ccc(OC)cc1	ZINC001090870820	947413763	/nfs/dbraw/zinc/41/37/63/947413763.db2.gz	OIGUYYGDDCFROZ-ZWKOTPCHSA-N	1	0	360.454	1.918	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1c1ccc(OC)cc1	ZINC001090871028	947418748	/nfs/dbraw/zinc/41/87/48/947418748.db2.gz	JKWQIYKHWYMTTD-GVDBMIGSSA-N	1	0	359.426	1.264	20	30		FDEDRO
C=CCCC(=O)N1CC[C@@H](CCNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1	ZINC001573330198	947434014	/nfs/dbraw/zinc/43/40/14/947434014.db2.gz	VIGDNLGGGPNIJS-CQSZACIVSA-N	1	0	355.446	1.609	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2NCC#N)cc1	ZINC001090871360	947435009	/nfs/dbraw/zinc/43/50/09/947435009.db2.gz	QGRXNCMWOVNVNC-XUVXKRRUSA-N	1	0	368.481	1.445	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1c1ccc(OC)cc1	ZINC001090871471	947438252	/nfs/dbraw/zinc/43/82/52/947438252.db2.gz	XHAMJIWJWOXPEO-DLBZAZTESA-N	1	0	355.442	1.598	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@]1(C)CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1	ZINC001573333823	947443186	/nfs/dbraw/zinc/44/31/86/947443186.db2.gz	GCQYLBHPVRJINB-UGSOOPFHSA-N	1	0	357.462	1.991	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]2C1	ZINC001573335482	947479387	/nfs/dbraw/zinc/47/93/87/947479387.db2.gz	PFYYSEATVBSAFT-IYBDPMFKSA-N	1	0	369.473	1.945	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(OC)ns2)C[C@H]1c1ccc(OC)cc1	ZINC001090872890	947504714	/nfs/dbraw/zinc/50/47/14/947504714.db2.gz	UPEXTMMNQMNWKV-JKSUJKDBSA-N	1	0	371.462	1.991	20	30		FDEDRO
C=CCOCC[N@@H+](C)C[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1	ZINC001573347072	947572109	/nfs/dbraw/zinc/57/21/09/947572109.db2.gz	ACCKIRWHMIEFMD-CQSZACIVSA-N	1	0	373.461	1.181	20	30		FDEDRO
C=CCOCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1	ZINC001573349133	947590938	/nfs/dbraw/zinc/59/09/38/947590938.db2.gz	ZHIYQFLTVDAJPZ-UONOGXRCSA-N	1	0	373.461	1.228	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCC(=O)N2)C[C@H]1c1ccc(OC)cc1	ZINC001090881019	947597564	/nfs/dbraw/zinc/59/75/64/947597564.db2.gz	VDXYFSLUKKXVKO-IPMKNSEASA-N	1	0	371.481	1.824	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)C[C@H]1c1ccc(OC)cc1	ZINC001090878469	947613950	/nfs/dbraw/zinc/61/39/50/947613950.db2.gz	QUZGETZUBFZBMO-UEXGIBASSA-N	1	0	371.481	1.682	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)C[C@H]1c1ccc(OC)cc1	ZINC001090878471	947614160	/nfs/dbraw/zinc/61/41/60/947614160.db2.gz	QUZGETZUBFZBMO-WAOWUJCRSA-N	1	0	371.481	1.682	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCN(C(C)=O)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090884211	947637583	/nfs/dbraw/zinc/63/75/83/947637583.db2.gz	DAANKUYOTXDSSQ-YZGWKJHDSA-N	1	0	369.465	1.081	20	30		FDEDRO
CC#CCCCC(=O)NC[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1	ZINC001573358966	947675108	/nfs/dbraw/zinc/67/51/08/947675108.db2.gz	SJTPMHWZVWOTOU-HNNXBMFYSA-N	1	0	367.457	1.706	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cncn3)c2)C1	ZINC001196044719	971425587	/nfs/dbraw/zinc/42/55/87/971425587.db2.gz	BXKZOJGPZSZECH-ZTFGCOKTSA-N	1	0	355.442	1.397	20	30		FDEDRO
CO[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@H]1NC(=O)CCC[NH+]1CCCC1	ZINC001090892639	947751667	/nfs/dbraw/zinc/75/16/67/947751667.db2.gz	ZLJYHFDIRRMWNO-QZTJIDSGSA-N	1	0	371.485	1.458	20	30		FDEDRO
CN(C[C@@H](O)C[N@H+](C)C[C@H](O)c1cccc(C#N)c1)C(=O)OC(C)(C)C	ZINC000844371284	947998098	/nfs/dbraw/zinc/99/80/98/947998098.db2.gz	MHINHIYXTAWGPF-IRXDYDNUSA-N	1	0	363.458	1.751	20	30		FDEDRO
C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H](O)c1cccc(C#N)c1	ZINC000844372396	948002089	/nfs/dbraw/zinc/00/20/89/948002089.db2.gz	YAWNFRDYBPAZKO-AEFFLSMTSA-N	1	0	371.393	1.872	20	30		FDEDRO
C[C@@H](C#N)OCC[NH+]1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1	ZINC000844356663	948009306	/nfs/dbraw/zinc/00/93/06/948009306.db2.gz	IMRHFYXINHIZHW-GJZGRUSLSA-N	1	0	365.474	1.570	20	30		FDEDRO
COC(=O)CC1([NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1	ZINC000844385315	948019699	/nfs/dbraw/zinc/01/96/99/948019699.db2.gz	HKKDKYPZZLXCNY-ZDUSSCGKSA-N	1	0	350.378	1.909	20	30		FDEDRO
CO[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C	ZINC001090945414	948043136	/nfs/dbraw/zinc/04/31/36/948043136.db2.gz	PLDMZTWFTGHFGA-NVXWUHKLSA-N	1	0	359.474	1.251	20	30		FDEDRO
CC[C@@H](C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1OC)[NH+](CC)CC	ZINC001090944932	948068375	/nfs/dbraw/zinc/06/83/75/948068375.db2.gz	JWYUKNBMQZGFBC-IXDOHACOSA-N	1	0	359.474	1.393	20	30		FDEDRO
N#Cc1cncc(C[N@H+]2C[C@@H]3COC[C@@H](C(=O)NCc4ccco4)[C@@H]3C2)c1	ZINC001144080634	948201272	/nfs/dbraw/zinc/20/12/72/948201272.db2.gz	TVGOKTLKQPWHNW-BHIYHBOVSA-N	1	0	366.421	1.557	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1Nc1nccnc1C#N	ZINC001090984171	948226899	/nfs/dbraw/zinc/22/68/99/948226899.db2.gz	KIXGJVYZLIRDBY-NVXWUHKLSA-N	1	0	356.474	1.873	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@H](C(=O)N3CCCC3)C3(C2)CCOCC3)nc1	ZINC001144158319	948301846	/nfs/dbraw/zinc/30/18/46/948301846.db2.gz	BEPDEYIUTZFTSG-GOSISDBHSA-N	1	0	354.454	1.804	20	30		FDEDRO
COCCN(CC#N)CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1=O	ZINC000844708601	948311223	/nfs/dbraw/zinc/31/12/23/948311223.db2.gz	SBNABEGCOTVRIM-OALUTQOASA-N	1	0	356.470	1.396	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(N3C(=O)N[C@@]4(CCSC4)C3=O)CC2)c1	ZINC000844740009	948351259	/nfs/dbraw/zinc/35/12/59/948351259.db2.gz	JZSOLCJQUMXNFX-LJQANCHMSA-N	1	0	370.478	1.950	20	30		FDEDRO
Cn1c(CC#N)nn(CN2CC[N@H+](C)C[C@@H]2Cc2ccccc2)c1=S	ZINC000844739436	948379983	/nfs/dbraw/zinc/37/99/83/948379983.db2.gz	DTOJAILWGWPPIZ-INIZCTEOSA-N	1	0	356.499	1.833	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](Cc2ccccc2)C(C)C)C1	ZINC001196145799	971479646	/nfs/dbraw/zinc/47/96/46/971479646.db2.gz	ONZBILVPYZKJBA-VAMGGRTRSA-N	1	0	360.498	1.865	20	30		FDEDRO
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC(N3CC[C@@H](O)C3)C2)c1	ZINC000844973126	948550751	/nfs/dbraw/zinc/55/07/51/948550751.db2.gz	JDZDKLVRMUAEJO-IAGOWNOFSA-N	1	0	358.442	1.328	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N3CC=CC3)cc2)C1	ZINC001196123397	971494518	/nfs/dbraw/zinc/49/45/18/971494518.db2.gz	QIOMOVOPJUFUBD-RTBURBONSA-N	1	0	357.454	1.040	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N1CCO[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]21	ZINC001091047436	948674668	/nfs/dbraw/zinc/67/46/68/948674668.db2.gz	CHVXUFGZEOKAKZ-DLBZAZTESA-N	1	0	357.458	1.101	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000845105842	948683243	/nfs/dbraw/zinc/68/32/43/948683243.db2.gz	DLQBFWIGNXZHSV-SFHVURJKSA-N	1	0	365.499	1.551	20	30		FDEDRO
CC(=O)N[C@@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)C(C)C	ZINC001144367786	948835304	/nfs/dbraw/zinc/83/53/04/948835304.db2.gz	YPZPQXWVSRRAGB-GOSISDBHSA-N	1	0	356.470	1.822	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573792796	949270462	/nfs/dbraw/zinc/27/04/62/949270462.db2.gz	DTMRNVLBBRKOAH-AWEZNQCLSA-N	1	0	370.432	1.746	20	30		FDEDRO
CC(C)(C)C#CC(=O)NCC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1	ZINC001573793160	949285620	/nfs/dbraw/zinc/28/56/20/949285620.db2.gz	MXYKFCDPOSSTMK-UHFFFAOYSA-N	1	0	352.442	1.655	20	30		FDEDRO
CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C#CC1CC1	ZINC001573811844	949608439	/nfs/dbraw/zinc/60/84/39/949608439.db2.gz	OGOWQIPZIJXTHS-KRWDZBQOSA-N	1	0	366.469	1.901	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CS(=O)(=O)NC(C)(C)C)C2	ZINC001110113870	949897375	/nfs/dbraw/zinc/89/73/75/949897375.db2.gz	NUPXCCFAASYBAN-ILXRZTDVSA-N	1	0	357.520	1.392	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001570962517	950029615	/nfs/dbraw/zinc/02/96/15/950029615.db2.gz	DRDUIAZQNFTSJH-HIFRSBDPSA-N	1	0	353.430	1.497	20	30		FDEDRO
CC(C)C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@@H](C)C#N	ZINC001574151663	950091291	/nfs/dbraw/zinc/09/12/91/950091291.db2.gz	XNRBVBXWUISRAV-JSGCOSHPSA-N	1	0	373.436	1.786	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@](C)(C#N)C1	ZINC000845936882	950213962	/nfs/dbraw/zinc/21/39/62/950213962.db2.gz	JBLOQHOXMQFPKR-RDTXWAMCSA-N	1	0	352.479	1.984	20	30		FDEDRO
C[NH+](C)CCCNC(=S)NN=Cc1ccnn1CCc1ccccc1	ZINC000857208367	971648983	/nfs/dbraw/zinc/64/89/83/971648983.db2.gz	XUAFFHNJAVPRKH-UHFFFAOYSA-N	1	0	358.515	1.876	20	30		FDEDRO
C[C@@H]1C(=O)N(N=Cc2ccccc2N(C)C2CC[NH+](C)CC2)C(=O)N1C	ZINC000857216722	971652756	/nfs/dbraw/zinc/65/27/56/971652756.db2.gz	BAPFEDHRDNFCGR-CQSZACIVSA-N	1	0	357.458	1.833	20	30		FDEDRO
COc1ccc(N2CCN(CC[NH2+]C[C@@H](O)CC(C)(C)C#N)CC2)cc1	ZINC000857234372	971663899	/nfs/dbraw/zinc/66/38/99/971663899.db2.gz	JQAPHVMARUMGEP-SFHVURJKSA-N	1	0	360.502	1.708	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2C(F)(F)F)C1	ZINC001196436957	971670153	/nfs/dbraw/zinc/67/01/53/971670153.db2.gz	DWXXQJIEFACPSF-CYZMBNFOSA-N	1	0	360.380	1.569	20	30		FDEDRO
COc1ccc(CNC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1C#N	ZINC000846158254	950577598	/nfs/dbraw/zinc/57/75/98/950577598.db2.gz	VUPODORGHGHEGV-WDYCEAGBSA-N	1	0	372.469	1.995	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N(Cc1cc(C)c(C)c(S(N)(=O)=O)c1)C1CC1	ZINC000846436256	951034021	/nfs/dbraw/zinc/03/40/21/951034021.db2.gz	FKXUAHSTKFFRJE-UHFFFAOYSA-N	1	0	365.499	1.560	20	30		FDEDRO
C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001575019525	951041962	/nfs/dbraw/zinc/04/19/62/951041962.db2.gz	UZRLQDVVYXJWQC-SNVBAGLBSA-N	1	0	368.376	1.114	20	30		FDEDRO
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1	ZINC000846730531	951501368	/nfs/dbraw/zinc/50/13/68/951501368.db2.gz	IEGFZKWLXASMOH-KURKYZTESA-N	1	0	372.469	1.039	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@@H]3CCCO[C@H]3C=C)c2)C1	ZINC001091401302	951579138	/nfs/dbraw/zinc/57/91/38/951579138.db2.gz	XXZAPTFFCYIPEC-ZCNNSNEGSA-N	1	0	369.465	1.765	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)c2)C1	ZINC001091404021	951596696	/nfs/dbraw/zinc/59/66/96/951596696.db2.gz	DHHDKFSRMCWHQL-MDNKFWRPSA-N	1	0	369.465	1.742	20	30		FDEDRO
C[NH+](C)CCOc1cc(NC(=N)c2ccc(C(N)=O)cc2)ccc1[N+](=O)[O-]	ZINC001171258525	951725422	/nfs/dbraw/zinc/72/54/22/951725422.db2.gz	BSXHJAQCXAQBQE-UHFFFAOYSA-N	1	0	371.397	1.671	20	30		FDEDRO
C#C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1	ZINC000847027368	951778310	/nfs/dbraw/zinc/77/83/10/951778310.db2.gz	AODMVMGQUIVFPH-SOUVJXGZSA-N	1	0	363.483	1.245	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3COCCO3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001091503723	951892786	/nfs/dbraw/zinc/89/27/86/951892786.db2.gz	MDRCWQVKYUMWEE-GGPKGHCWSA-N	1	0	355.438	1.254	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4CCOC4)C[C@]3(C)C2)cc1C#N	ZINC001091528244	951945335	/nfs/dbraw/zinc/94/53/35/951945335.db2.gz	BYFYWHZWJXOFKA-CDXJDZJCSA-N	1	0	369.465	1.884	20	30		FDEDRO
N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c1	ZINC001146196336	951991234	/nfs/dbraw/zinc/99/12/34/951991234.db2.gz	KNWYNUYBLATBQB-SLFFLAALSA-N	1	0	368.481	1.184	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)C(=O)C(C)(C)C)C[C@]3(C)C2)C1=O	ZINC001091551147	952027833	/nfs/dbraw/zinc/02/78/33/952027833.db2.gz	FDJPQBGDJQRBDE-SXGZJXTBSA-N	1	0	361.486	1.169	20	30		FDEDRO
C[C@]12CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]1C[N@H+](Cc1ccc(CO)cc1)C2	ZINC001091575107	952114015	/nfs/dbraw/zinc/11/40/15/952114015.db2.gz	VCJDCTCKFISIEU-NQIIRXRSSA-N	1	0	364.449	1.973	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@]3(C)C2)C1=O	ZINC001091575355	952114833	/nfs/dbraw/zinc/11/48/33/952114833.db2.gz	ZOPXLJJDBCUIGH-MDYRTPRTSA-N	1	0	367.453	1.067	20	30		FDEDRO
C[C@]12CN(C(=O)CCc3nnc[nH]3)C[C@H]1C[N@H+](Cc1ccc(C#N)s1)C2	ZINC001091579371	952126713	/nfs/dbraw/zinc/12/67/13/952126713.db2.gz	XVTKXWLWANZQPC-ACJLOTCBSA-N	1	0	370.482	1.651	20	30		FDEDRO
CCc1nc(C#N)c(C#N)nc1-n1cc(Br)ccc1=NCC[NH3+]	ZINC001160976697	952135907	/nfs/dbraw/zinc/13/59/07/952135907.db2.gz	AYDSQSRZZAYOPV-UHFFFAOYSA-N	1	0	372.230	1.195	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C(C)(C)C1	ZINC001571086167	952202189	/nfs/dbraw/zinc/20/21/89/952202189.db2.gz	YMUFKTPHQLWBAG-ABAIWWIYSA-N	1	0	371.420	1.492	20	30		FDEDRO
C[C@]12CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]1C[N@H+](CCO[C@@H]1CC1(F)F)C2	ZINC001091604941	952231575	/nfs/dbraw/zinc/23/15/75/952231575.db2.gz	QPAHHYOAICEWNM-VMGRFDJRSA-N	1	0	364.396	1.704	20	30		FDEDRO
COc1ccnc(C[N@@H+]2C[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@]3(C)C2)c1	ZINC001091605775	952236102	/nfs/dbraw/zinc/23/61/02/952236102.db2.gz	BGVXXYDZGYHLQM-VLIAUNLRSA-N	1	0	365.437	1.884	20	30		FDEDRO
CC(C)(C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(C#N)n2)C1)[NH+]1CCCCC1	ZINC001091607289	952264991	/nfs/dbraw/zinc/26/49/91/952264991.db2.gz	NTXXDUXRCMAFKA-JKSUJKDBSA-N	1	0	370.501	1.731	20	30		FDEDRO
CCc1nc(C#N)cc(N[C@@H]2CC[C@H](CNC(=O)C3(C[NH+](C)C)CC3)C2)n1	ZINC001091625698	952354744	/nfs/dbraw/zinc/35/47/44/952354744.db2.gz	GMBZGNDFAZALPQ-LSDHHAIUSA-N	1	0	370.501	1.949	20	30		FDEDRO
Cn1oc(C(=O)N2C[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@@]3(C)C2)cc1=O	ZINC001091628749	952376597	/nfs/dbraw/zinc/37/65/97/952376597.db2.gz	QNIJDYNXJJMLAY-UZLBHIALSA-N	1	0	366.421	1.444	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3CC(C)(C)C)C2)C1	ZINC001147589857	952447872	/nfs/dbraw/zinc/44/78/72/952447872.db2.gz	FBQWVHBPJNPQKM-YESZJQIVSA-N	1	0	359.514	1.731	20	30		FDEDRO
C[N@H+](CC(=O)NC[C@H]1CC[C@@H](Nc2ccnc(C#N)n2)C1)CC(C)(C)C	ZINC001091639975	952452395	/nfs/dbraw/zinc/45/23/95/952452395.db2.gz	ZDGQIURFVDTFQD-LSDHHAIUSA-N	1	0	358.490	1.445	20	30		FDEDRO
CCn1ncc(C(=O)N2C[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@@]3(C)C2)n1	ZINC001091648953	952492710	/nfs/dbraw/zinc/49/27/10/952492710.db2.gz	SWXRPCBMSZOGRY-XLIONFOSSA-N	1	0	364.453	1.764	20	30		FDEDRO
C[C@]12CN(C(=O)CO[C@@H]3CCOC3)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001091667416	952554782	/nfs/dbraw/zinc/55/47/82/952554782.db2.gz	SMPVJMNPNHXDJC-SBHAEUEKSA-N	1	0	369.465	1.644	20	30		FDEDRO
N#Cc1nc(N)c(NC(=O)c2ccc(CC[NH+]3CCCC3)nc2)nc1C#N	ZINC001147962063	952586850	/nfs/dbraw/zinc/58/68/50/952586850.db2.gz	SYIFBDZTIVWIIH-UHFFFAOYSA-N	1	0	362.397	1.088	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cc([C@@H]4CCCN4C)[nH]n3)C[C@]2(C)C1	ZINC001091690689	952663847	/nfs/dbraw/zinc/66/38/47/952663847.db2.gz	LGVOHLJWHSSVSD-BPAFIMBUSA-N	1	0	355.486	1.594	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+]([C@H](C)C(=O)NCC(C)C)C2	ZINC001148310777	952679643	/nfs/dbraw/zinc/67/96/43/952679643.db2.gz	OBPISPVBKDCFGZ-ZACQAIPSSA-N	1	0	363.502	1.273	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3CCO[C@H]3C(=C)C)C2)C1	ZINC001148424411	952726380	/nfs/dbraw/zinc/72/63/80/952726380.db2.gz	LHIMAXYAFYZTIE-ULQDDVLXSA-N	1	0	361.486	1.193	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](Cn3cccn3)N(C)C)C[C@]2(C)C1	ZINC001091738219	952766710	/nfs/dbraw/zinc/76/67/10/952766710.db2.gz	XPDIJBQCJHVVQC-GGPKGHCWSA-N	1	0	359.518	1.560	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@H]3CCCNC3=O)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001091760591	952839810	/nfs/dbraw/zinc/83/98/10/952839810.db2.gz	ZDIBRAWPALBANL-OPYAIIAOSA-N	1	0	366.465	1.365	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@@]2(C)C1	ZINC001091763364	952849003	/nfs/dbraw/zinc/84/90/03/952849003.db2.gz	FTBNEUFRCRWGPG-UTKZUKDTSA-N	1	0	364.449	1.869	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3c(C)nnn3CC)C2)cn1	ZINC001086857524	952874831	/nfs/dbraw/zinc/87/48/31/952874831.db2.gz	HPTYNFUYWKPRNR-MAUKXSAKSA-N	1	0	366.469	1.671	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H](C)c3nncn3C)C2)cn1	ZINC001086857416	952874974	/nfs/dbraw/zinc/87/49/74/952874974.db2.gz	BUDJUMWQJXPRDE-GRDNDAEWSA-N	1	0	352.442	1.441	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(OC)no3)C2)cn1	ZINC001086857637	952875996	/nfs/dbraw/zinc/87/59/96/952875996.db2.gz	NPPHQVHNMWZPBP-XJKSGUPXSA-N	1	0	354.410	1.748	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H]3CCN(CC)C3=O)C2)cn1	ZINC001086857593	952876340	/nfs/dbraw/zinc/87/63/40/952876340.db2.gz	LBAXUAYLAIXZGL-BMGDILEWSA-N	1	0	354.454	1.172	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3nonc3C)C2)cc1C#N	ZINC001086888585	952942680	/nfs/dbraw/zinc/94/26/80/952942680.db2.gz	FNQCUXDJTOUWTL-GOEBONIOSA-N	1	0	369.425	1.947	20	30		FDEDRO
CSCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001086965637	952960942	/nfs/dbraw/zinc/96/09/42/952960942.db2.gz	QQXWIAFARMLOGW-ZWKOTPCHSA-N	1	0	369.494	1.739	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)/C(C)=C\C)C[C@H]2c2cnn(C)c2)C1=O	ZINC001086974085	952981423	/nfs/dbraw/zinc/98/14/23/952981423.db2.gz	VCBWHOUVKFPPTM-KNAXHQGMSA-N	1	0	371.485	1.057	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cc(C)c(Cl)cn2)C[C@H]1c1cnn(C)c1	ZINC001086984377	952999014	/nfs/dbraw/zinc/99/90/14/952999014.db2.gz	MMVFBNHOYKGSBB-FUHWJXTLSA-N	1	0	371.872	1.537	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2cc(C3CC3)cn2)C[C@H]1c1cnn(C)c1	ZINC001086984773	952999437	/nfs/dbraw/zinc/99/94/37/952999437.db2.gz	CYOPNAPUTFSDTL-RBUKOAKNSA-N	1	0	368.485	1.654	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2cn3ccccc3n2)C[C@H]1c1cnn(C)c1	ZINC001086984670	952999466	/nfs/dbraw/zinc/99/94/66/952999466.db2.gz	XPNKNAGINVGUOD-ZWKOTPCHSA-N	1	0	364.453	1.381	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3O2)C[C@H]1c1cnn(C)c1	ZINC001086986193	953005470	/nfs/dbraw/zinc/00/54/70/953005470.db2.gz	BJDHYFLZDVPCOY-SCTDSRPQSA-N	1	0	352.438	1.494	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2onc3c2CCCC3)C[C@H]1c1cnn(C)c1	ZINC001086987216	953009193	/nfs/dbraw/zinc/00/91/93/953009193.db2.gz	HAEGWOAYZRPYMO-DOTOQJQBSA-N	1	0	353.426	1.118	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccn3ccnc3c2)C[C@H]1c1cnn(C)c1	ZINC001086987439	953010039	/nfs/dbraw/zinc/01/00/39/953010039.db2.gz	SEWVXBGMYOJPKO-ZWKOTPCHSA-N	1	0	364.453	1.842	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ncoc2[C@@H]2CCCO2)C[C@H]1c1cnn(C)c1	ZINC001086990609	953018385	/nfs/dbraw/zinc/01/83/85/953018385.db2.gz	MCYXMMNJAQCRTM-XHSDSOJGSA-N	1	0	371.441	1.643	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc3ccccc3nn2)C[C@H]1c1cnn(C)c1	ZINC001086990681	953018736	/nfs/dbraw/zinc/01/87/36/953018736.db2.gz	PAGRHRAGDFKGIF-QFBILLFUSA-N	1	0	362.437	1.747	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2ccccn2)C[C@H]1c1cnn(C)c1	ZINC001086990807	953019091	/nfs/dbraw/zinc/01/90/91/953019091.db2.gz	VXWULCWEGOINSX-RBUKOAKNSA-N	1	0	353.470	1.908	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3cccnc32)C[C@H]1c1cnn(C)c1	ZINC001086992998	953025631	/nfs/dbraw/zinc/02/56/31/953025631.db2.gz	AYCCSCMVZIUWCU-GBESFXJTSA-N	1	0	363.465	1.452	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3nn(C)cc32)C[C@H]1c1cnn(C)c1	ZINC001086993786	953027994	/nfs/dbraw/zinc/02/79/94/953027994.db2.gz	RQQBWENGSNGYHV-JTDSTZFVSA-N	1	0	368.485	1.344	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cc(F)ccc2F)C[C@H]1c1cnn(C)c1	ZINC001086993884	953028035	/nfs/dbraw/zinc/02/80/35/953028035.db2.gz	XRHVQOCHSCLBER-FUHWJXTLSA-N	1	0	358.392	1.458	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)nn2C)C[C@H]1c1cnn(C)c1	ZINC001086981624	953033595	/nfs/dbraw/zinc/03/35/95/953033595.db2.gz	UEAWKBBSSFOCLY-FUHWJXTLSA-N	1	0	368.485	1.805	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2cccnc2C)C[C@H]1c1cnn(C)c1	ZINC001086996385	953036793	/nfs/dbraw/zinc/03/67/93/953036793.db2.gz	BMKHMUNJTFBJTE-RBUKOAKNSA-N	1	0	353.470	1.826	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(-c3ccco3)n[nH]2)C[C@H]1c1cnn(C)c1	ZINC001086998501	953043000	/nfs/dbraw/zinc/04/30/00/953043000.db2.gz	PJNUOEBQGHFMHL-WMLDXEAASA-N	1	0	366.425	1.787	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c(C)noc2C)C[C@H]1c1cnn(C)c1	ZINC001087000667	953050947	/nfs/dbraw/zinc/05/09/47/953050947.db2.gz	IMWBATWZWLFUPI-ZNZDAUKMSA-N	1	0	369.469	1.421	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)C[C@H]1c1cnn(C)c1	ZINC001087000863	953053060	/nfs/dbraw/zinc/05/30/60/953053060.db2.gz	RPBZCLMQONFARO-VIYGXFRKSA-N	1	0	360.461	1.523	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC3CC3)C2)nn1	ZINC001087001348	953054621	/nfs/dbraw/zinc/05/46/21/953054621.db2.gz	PMUSONDJRFYOFO-DLBZAZTESA-N	1	0	369.473	1.196	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2ccccc2F)C[C@H]1c1cnn(C)c1	ZINC001087002834	953058519	/nfs/dbraw/zinc/05/85/19/953058519.db2.gz	STTXMHRGCBBEGA-UCLAIMLFSA-N	1	0	354.429	1.880	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ncoc2C(C)(C)C)C[C@H]1c1cnn(C)c1	ZINC001087005033	953063870	/nfs/dbraw/zinc/06/38/70/953063870.db2.gz	ISLDMPYVRWKQNY-LSDHHAIUSA-N	1	0	355.442	1.537	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3nc[nH]c3C2)C[C@H]1c1cnn(C)c1	ZINC001087005204	953064296	/nfs/dbraw/zinc/06/42/96/953064296.db2.gz	QOMPNGRESUOLBB-QIIPPGSGSA-N	1	0	354.458	1.018	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cnn(C(C)C)c2)C[C@H]1c1cnn(C)c1	ZINC001087005835	953065767	/nfs/dbraw/zinc/06/57/67/953065767.db2.gz	WCVPGJXVJCDVRM-ZWKOTPCHSA-N	1	0	356.474	1.971	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3ccccc3)C[C@H]2OCC)C1=O	ZINC001087020927	953084015	/nfs/dbraw/zinc/08/40/15/953084015.db2.gz	RPIOYGCKNRJAAU-GUDVDZBRSA-N	1	0	371.481	1.540	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc3nc(C)ccc3o2)C[C@H]1c1cnn(C)c1	ZINC001087006573	953090584	/nfs/dbraw/zinc/09/05/84/953090584.db2.gz	KCPZQSXRYFFAIM-DOTOQJQBSA-N	1	0	363.421	1.701	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc(N(C)C)c2)C[C@H]1c1cnn(C)c1	ZINC001087007187	953092329	/nfs/dbraw/zinc/09/23/29/953092329.db2.gz	RNJXTZGCHXNTAK-RBUKOAKNSA-N	1	0	351.454	1.317	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2ccc(F)cc2)C[C@H]1c1cnn(C)c1	ZINC001087008856	953096262	/nfs/dbraw/zinc/09/62/62/953096262.db2.gz	AFIBEUYPQCXJKK-ZOCIIQOWSA-N	1	0	370.428	1.544	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(COC)cc2)C[C@H]1c1cnn(C)c1	ZINC001087009073	953096733	/nfs/dbraw/zinc/09/67/33/953096733.db2.gz	MVVLHCWBLPHKMX-RBUKOAKNSA-N	1	0	354.454	1.950	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2-c2ccco2)C[C@H]1c1cnn(C)c1	ZINC001087010008	953099955	/nfs/dbraw/zinc/09/99/55/953099955.db2.gz	HTVMKTBXDCKIAM-JKSUJKDBSA-N	1	0	366.425	1.787	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2C2CC2)C[C@H]1c1cnn(C)c1	ZINC001087012465	953106744	/nfs/dbraw/zinc/10/67/44/953106744.db2.gz	ZBVKMDSTDUVZHG-ZWKOTPCHSA-N	1	0	368.485	1.805	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cnns2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087029932	953122832	/nfs/dbraw/zinc/12/28/32/953122832.db2.gz	PIAUPIMOGKVRNF-HZPDHXFCSA-N	1	0	371.466	1.677	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](CC)OC)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001087033454	953135289	/nfs/dbraw/zinc/13/52/89/953135289.db2.gz	RVUYQHJOEDPROQ-XOKHGSTOSA-N	1	0	365.499	1.998	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1nnc(CC)s1	ZINC001087035961	953146386	/nfs/dbraw/zinc/14/63/86/953146386.db2.gz	SNCSNUCOYLPUMN-YNEHKIRRSA-N	1	0	351.476	1.213	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CC3CCC3)C[C@H]2OCC)C1=O	ZINC001087039178	953155067	/nfs/dbraw/zinc/15/50/67/953155067.db2.gz	KIYZEBXOWBCVPJ-FGTMMUONSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C3=CCCC3)C[C@H]2OCC)C1=O	ZINC001087044651	953167715	/nfs/dbraw/zinc/16/77/15/953167715.db2.gz	XZFYHCPDMMNVPC-FGTMMUONSA-N	1	0	361.486	1.337	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cocn2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087034497	953172451	/nfs/dbraw/zinc/17/24/51/953172451.db2.gz	HRAKEYQVDXRTLY-SJLPKXTDSA-N	1	0	354.410	1.813	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1nnc(C2CC2)[nH]1	ZINC001087053626	953186289	/nfs/dbraw/zinc/18/62/89/953186289.db2.gz	YXTDRKUQJDIWRF-HZPDHXFCSA-N	1	0	357.458	1.049	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)[nH]2)[C@H](OCC)C1	ZINC001087057478	953192155	/nfs/dbraw/zinc/19/21/55/953192155.db2.gz	DXHMKECYFYSCRR-ZIAGYGMSSA-N	1	0	369.897	1.845	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1cnoc1C	ZINC001087045995	953192712	/nfs/dbraw/zinc/19/27/12/953192712.db2.gz	DLOBQCAIHDKMNA-RHSMWYFYSA-N	1	0	357.414	1.450	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]C[C@H]1CCCCO1	ZINC001087046116	953193114	/nfs/dbraw/zinc/19/31/14/953193114.db2.gz	LPDRJAMYAYMOMJ-QGPMSJSTSA-N	1	0	360.458	1.522	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]CC1CC(F)(F)C1	ZINC001087047217	953195796	/nfs/dbraw/zinc/19/57/96/953195796.db2.gz	YXMGILPOOGWVAB-GDBMZVCRSA-N	1	0	366.412	1.998	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C2CC(OC)C2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087061479	953205737	/nfs/dbraw/zinc/20/57/37/953205737.db2.gz	JANVOADZBCJCTA-CQJJOKNBSA-N	1	0	371.481	1.936	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nncs3)[C@H](OCC)C2)cc1	ZINC001087071303	953225541	/nfs/dbraw/zinc/22/55/41/953225541.db2.gz	INKHHDMVVKVITJ-IAGOWNOFSA-N	1	0	370.478	1.786	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2n[nH]nc2C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087071620	953225987	/nfs/dbraw/zinc/22/59/87/953225987.db2.gz	YWWUDQDBSJSSIW-IAGOWNOFSA-N	1	0	368.441	1.252	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nocc3C)[C@H](OCC)C2)cn1	ZINC001087097419	953284853	/nfs/dbraw/zinc/28/48/53/953284853.db2.gz	OOASWCVSYGOTPK-VQIMIIECSA-N	1	0	368.437	1.626	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CCN1c1ccnc(C#N)n1	ZINC001091787014	953305410	/nfs/dbraw/zinc/30/54/10/953305410.db2.gz	YJQJOCNKYFEYTK-FCEWJHQRSA-N	1	0	370.501	1.942	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@H]3CCC(=O)NC3)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001091809485	953342102	/nfs/dbraw/zinc/34/21/02/953342102.db2.gz	IPYVNKZRBJXDJG-BLIXFSHQSA-N	1	0	366.465	1.365	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccccc3OCC(N)=O)C[C@]2(C)C1	ZINC001091835399	953392313	/nfs/dbraw/zinc/39/23/13/953392313.db2.gz	HZLZUWHESVCFJK-IERDGZPVSA-N	1	0	371.481	1.911	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COc2ccsc2Cl)C1	ZINC001196837426	971935150	/nfs/dbraw/zinc/93/51/50/971935150.db2.gz	UFNRPKIVTAOGEQ-VXGBXAGGSA-N	1	0	360.863	1.144	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cc(F)c[nH]4)C[C@]3(C)C2)C1=O	ZINC001091862350	953598456	/nfs/dbraw/zinc/59/84/56/953598456.db2.gz	JNPLSIMNMTVQNN-NRXGSXMXSA-N	1	0	360.433	1.335	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3csc(-c4ncc[nH]4)n3)C[C@]2(C)C1	ZINC001091868879	953620275	/nfs/dbraw/zinc/62/02/75/953620275.db2.gz	ZQJIYCOPXXWTOL-ACJLOTCBSA-N	1	0	355.467	1.950	20	30		FDEDRO
Cc1cc(N2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)C[C@@H]3C2)c(C#N)cn1	ZINC001091870528	953626811	/nfs/dbraw/zinc/62/68/11/953626811.db2.gz	UITVHCXCKRXWGJ-AEFFLSMTSA-N	1	0	367.497	1.888	20	30		FDEDRO
CN1C(=O)CC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@@]2(C)C1	ZINC001091919761	953710859	/nfs/dbraw/zinc/71/08/59/953710859.db2.gz	UOMHGDNBQYAXNR-DXIQSLLYSA-N	1	0	365.477	1.439	20	30		FDEDRO
C[C@]12CN(C(=O)C3(C(N)=O)CC3)C[C@H]1C[N@H+](CC#Cc1ccc(F)cc1)C2	ZINC001091970508	953769998	/nfs/dbraw/zinc/76/99/98/953769998.db2.gz	POJYVTIMYPAFQA-UZLBHIALSA-N	1	0	369.440	1.223	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)C(C)(C)C4CC4)C[C@]3(C)C2)C1=O	ZINC001091939086	953788875	/nfs/dbraw/zinc/78/88/75/953788875.db2.gz	XJSXCAYZMAUDDF-LZJOCLMNSA-N	1	0	359.514	1.990	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3COCCN3C3CCCC3)C[C@]2(C)C1	ZINC001091947063	953813441	/nfs/dbraw/zinc/81/34/41/953813441.db2.gz	YECWSMRGKCDNNT-QFUCXCTJSA-N	1	0	359.514	1.433	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)C4CC5(CC5)C4)C[C@]3(C)C2)C1=O	ZINC001092001401	953929505	/nfs/dbraw/zinc/92/95/05/953929505.db2.gz	YEDNMEILDQNESP-UWVAXJGDSA-N	1	0	357.498	1.744	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)c3c4n(c(=O)n3C)CCCC4)C[C@]2(C)C1	ZINC001092012377	954049349	/nfs/dbraw/zinc/04/93/49/954049349.db2.gz	YJAZXVKCIWMOIU-QRWLVFNGSA-N	1	0	358.486	1.493	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3c(F)cccc3NC(N)=O)C[C@]2(C)C1	ZINC001092055370	954153492	/nfs/dbraw/zinc/15/34/92/954153492.db2.gz	GZADQULWGJWZST-YJYMSZOUSA-N	1	0	358.417	1.734	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)[C@H]2C)n1	ZINC001092062492	954179661	/nfs/dbraw/zinc/17/96/61/954179661.db2.gz	PLVXIEZVBIJPRA-PVAVHDDUSA-N	1	0	370.501	1.868	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc(-n4ccnc4)nn3)C[C@]2(C)C1	ZINC001092096890	954284049	/nfs/dbraw/zinc/28/40/49/954284049.db2.gz	ILSUOVFIYMMSHY-BEFAXECRSA-N	1	0	352.442	1.632	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)Cc3ccccc3NC(C)=O)C[C@]2(C)C1	ZINC001092106317	954331672	/nfs/dbraw/zinc/33/16/72/954331672.db2.gz	QTDGIRKQCUXINC-NQIIRXRSSA-N	1	0	353.466	1.991	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)CCn4cccc4)C[C@]3(C)C2)C1=O	ZINC001092137428	954441790	/nfs/dbraw/zinc/44/17/90/954441790.db2.gz	JGJQXNZKEWCQNE-OPYAIIAOSA-N	1	0	370.497	1.445	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CCCS(=O)(=O)C3)C[C@]2(C)C1	ZINC001092175918	954463533	/nfs/dbraw/zinc/46/35/33/954463533.db2.gz	LWPPPYMGIVTWCO-SCTDSRPQSA-N	1	0	368.543	1.948	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3c[nH]nc3-c3cnn(C)c3)C[C@]2(C)C1	ZINC001092190733	954495569	/nfs/dbraw/zinc/49/55/69/954495569.db2.gz	WBAAUCJNBKTGAS-BEFAXECRSA-N	1	0	352.442	1.227	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cc4c(cn3)nc[nH]c4=O)C[C@]2(C)C1	ZINC001092236642	954589131	/nfs/dbraw/zinc/58/91/31/954589131.db2.gz	JWFYXWGQLNXEKB-YJYMSZOUSA-N	1	0	351.410	1.148	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)COc3cccc(C(N)=O)c3)C[C@]2(C)C1	ZINC001092297952	954735968	/nfs/dbraw/zinc/73/59/68/954735968.db2.gz	HJXZPAOSXCEIHQ-UZLBHIALSA-N	1	0	357.454	1.521	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc4c(C)nn(C)c4n3)C[C@]2(C)C1	ZINC001092304198	954765301	/nfs/dbraw/zinc/76/53/01/954765301.db2.gz	DJSDHMGXKPRORW-QRWLVFNGSA-N	1	0	351.454	1.694	20	30		FDEDRO
Cc1nonc1C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@@]2(C)C1	ZINC001092320181	954833600	/nfs/dbraw/zinc/83/36/00/954833600.db2.gz	GOPYQFZTCZNJAY-APWZRJJASA-N	1	0	351.410	1.844	20	30		FDEDRO
Cc1nonc1C(=O)N1C[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@@]2(C)C1	ZINC001092320689	954834831	/nfs/dbraw/zinc/83/48/31/954834831.db2.gz	UMWAYXXNAHNQLB-XLIONFOSSA-N	1	0	350.422	1.824	20	30		FDEDRO
C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1OC[C@@H]3CCC[C@@H]31)c1nccn12	ZINC001092383459	954980543	/nfs/dbraw/zinc/98/05/43/954980543.db2.gz	GJYWNBGPJFBBJB-MWDXBVQZSA-N	1	0	356.470	1.846	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC2(C[NH+](CC3CC3)C2)n2ccnc21	ZINC001092402635	955020353	/nfs/dbraw/zinc/02/03/53/955020353.db2.gz	RTIMIIQZTAJEOY-BBWFWOEESA-N	1	0	356.470	1.846	20	30		FDEDRO
C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[C@@H](C)CC(=O)N1)c1nccn12	ZINC001092369466	955038033	/nfs/dbraw/zinc/03/80/33/955038033.db2.gz	BKDMRSDUWIBHNH-BZUAXINKSA-N	1	0	371.485	1.336	20	30		FDEDRO
CC(C)[C@H](C(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C)[NH+]1CCCC1	ZINC001092372276	955044396	/nfs/dbraw/zinc/04/43/96/955044396.db2.gz	BUNRFTCZQNRYPN-GPMSIDNRSA-N	1	0	370.501	1.657	20	30		FDEDRO
C#CCCN1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1nccn12	ZINC001092372769	955046445	/nfs/dbraw/zinc/04/64/45/955046445.db2.gz	MYJJGAKVOXJZHX-YESZJQIVSA-N	1	0	355.486	1.209	20	30		FDEDRO
C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)c1nccn12	ZINC001092374596	955049511	/nfs/dbraw/zinc/04/95/11/955049511.db2.gz	OKKCBBOLFPPCPQ-BZUAXINKSA-N	1	0	366.469	1.948	20	30		FDEDRO
CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O)C(C)C	ZINC001197025980	972066783	/nfs/dbraw/zinc/06/67/83/972066783.db2.gz	VRMRQBDIUOHMON-NJDAHSKKSA-N	1	0	371.525	1.566	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)c1cc[n+]([O-])cc1	ZINC001092445567	955120152	/nfs/dbraw/zinc/12/01/52/955120152.db2.gz	KSYMWVFHXZTGQD-RDTXWAMCSA-N	1	0	368.412	1.829	20	30		FDEDRO
Cc1nsc(N2C[C@@H](CNC(=O)C[N@H+]3CC[C@@H](C)C3)[C@H](C)C2)c1C#N	ZINC001092445729	955121387	/nfs/dbraw/zinc/12/13/87/955121387.db2.gz	ZRPJIBVCYSORED-UMVBOHGHSA-N	1	0	361.515	1.854	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C	ZINC001092415993	955148482	/nfs/dbraw/zinc/14/84/82/955148482.db2.gz	MPDCNMQXYCJIHO-JFIYKMOQSA-N	1	0	370.501	1.800	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H](CNC(=O)c3cnsn3)[C@H](C)C2)cc1C#N	ZINC001092477125	955224200	/nfs/dbraw/zinc/22/42/00/955224200.db2.gz	IFUJBFDWOBPPBZ-IUODEOHRSA-N	1	0	371.466	1.916	20	30		FDEDRO
CCc1cc(C#N)ccc1OS(=O)(=O)CCCN1CC[NH+](C)CC1	ZINC000867228214	972075355	/nfs/dbraw/zinc/07/53/55/972075355.db2.gz	MEQNRBPGYIORSD-UHFFFAOYSA-N	1	0	351.472	1.467	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@@H]1CN(C)CCO1	ZINC001092522871	955317001	/nfs/dbraw/zinc/31/70/01/955317001.db2.gz	WPDWFNMIPPFYJT-LZQZEXGQSA-N	1	0	356.470	1.073	20	30		FDEDRO
C[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC001092527468	955336000	/nfs/dbraw/zinc/33/60/00/955336000.db2.gz	MQLMAKIZIZWFAF-KYOSRNDESA-N	1	0	352.385	1.608	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C	ZINC001092547620	955386365	/nfs/dbraw/zinc/38/63/65/955386365.db2.gz	CBMNXYSBISXDPZ-NUJGCVRESA-N	1	0	370.501	1.800	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CCNC(=O)[C@@H](C1CC1)[NH+](C)C	ZINC001092549932	955395755	/nfs/dbraw/zinc/39/57/55/955395755.db2.gz	DXPFNXLILAMWSD-DDUZABMNSA-N	1	0	356.474	1.267	20	30		FDEDRO
Cc1noc(CCC[N@@H+]2C[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)n1	ZINC001092551043	955401156	/nfs/dbraw/zinc/40/11/56/955401156.db2.gz	GDEDSEJQAJWYKP-TZMCWYRMSA-N	1	0	356.430	1.508	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1	ZINC000636625144	1013134531	/nfs/dbraw/zinc/13/45/31/1013134531.db2.gz	JHXVEBGKLKUOPM-UHFFFAOYSA-N	1	0	373.501	1.168	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H](CNC(=O)c3cncnc3)[C@H](C)C2)cc1C#N	ZINC001092557636	955440968	/nfs/dbraw/zinc/44/09/68/955440968.db2.gz	AIVHLHDHNVPAGF-RDTXWAMCSA-N	1	0	365.437	1.855	20	30		FDEDRO
C[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1CCNC(=O)C12CC[NH+](CC1)C2	ZINC001092531245	955490238	/nfs/dbraw/zinc/49/02/38/955490238.db2.gz	BQLKFWHSYGYTPA-GDBMZVCRSA-N	1	0	371.460	1.767	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CCNC(=O)C12CC[NH+](CC1)C2	ZINC001092532027	955495949	/nfs/dbraw/zinc/49/59/49/955495949.db2.gz	YSZMIIDFUUXXBF-HUUCEWRRSA-N	1	0	354.458	1.023	20	30		FDEDRO
CC(C)[C@H](C(=O)NCC[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C)[NH+](C)C	ZINC001092533121	955501125	/nfs/dbraw/zinc/50/11/25/955501125.db2.gz	GBQTVNUASOQVCB-IIDMSEBBSA-N	1	0	358.490	1.513	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)[C@@H]1CC(=O)N(C)C1	ZINC001092655591	955911624	/nfs/dbraw/zinc/91/16/24/955911624.db2.gz	SRMYXOWEFYNXHL-KBAYOESNSA-N	1	0	371.456	1.340	20	30		FDEDRO
C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)[C@H](C)C1	ZINC001092656887	955916361	/nfs/dbraw/zinc/91/63/61/955916361.db2.gz	LPCMXRGTIKWRGH-FVQBIDKESA-N	1	0	355.910	1.928	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@H]1CCCNC1=O	ZINC001092699994	956085858	/nfs/dbraw/zinc/08/58/58/956085858.db2.gz	ZPJPLJCTANVZRK-OLMNPRSZSA-N	1	0	354.454	1.269	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1N(c1cncc(C#N)n1)CC2	ZINC001092700393	956089167	/nfs/dbraw/zinc/08/91/67/956089167.db2.gz	ACDWJEWPODHZTO-YLJYHZDGSA-N	1	0	370.501	1.945	20	30		FDEDRO
CCC[N@H+](C)CC(=O)NC[C@]12CCC[C@H]1N(c1nc(C)cc(C#N)n1)CC2	ZINC001092700860	956091195	/nfs/dbraw/zinc/09/11/95/956091195.db2.gz	KTJHPZSXRSNBOJ-YLJYHZDGSA-N	1	0	370.501	1.864	20	30		FDEDRO
CC[C@H](C(=O)NC[C@]12CCC[C@H]1N(c1cnc(C#N)cn1)CC2)[NH+](C)C	ZINC001092702307	956098566	/nfs/dbraw/zinc/09/85/66/956098566.db2.gz	SEJCMACRIQLWJK-GPMSIDNRSA-N	1	0	356.474	1.554	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CCCC(=O)N1	ZINC001092707386	956129735	/nfs/dbraw/zinc/12/97/35/956129735.db2.gz	FKCNJZMITWCSSW-BHIYHBOVSA-N	1	0	353.466	1.391	20	30		FDEDRO
Cc1cc(C#N)nc(N2CC[C@@]3(CNC(=O)CCC[NH+](C)C)CCC[C@@H]23)n1	ZINC001092713724	956156931	/nfs/dbraw/zinc/15/69/31/956156931.db2.gz	JDZNIKYIQQJEBW-YLJYHZDGSA-N	1	0	370.501	1.864	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@H](C)C1	ZINC001092724110	956187236	/nfs/dbraw/zinc/18/72/36/956187236.db2.gz	FPSTUGBXAHSFNV-GDBMZVCRSA-N	1	0	354.516	1.462	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cnc(C)s2)C[C@H]1C	ZINC001092690043	956198801	/nfs/dbraw/zinc/19/88/01/956198801.db2.gz	XXHYWGYGGYZBST-KYJSFNMBSA-N	1	0	360.527	1.733	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)c3ccc(CC)o3)[C@H](C)C2)C1=O	ZINC001092738736	956231654	/nfs/dbraw/zinc/23/16/54/956231654.db2.gz	SLLCIPYFFIDFGB-INMHGKMJSA-N	1	0	359.470	1.927	20	30		FDEDRO
C=CCOc1ccccc1C(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC)C[C@H]1C	ZINC001092740261	956234576	/nfs/dbraw/zinc/23/45/76/956234576.db2.gz	JUEFYKSZYUFONV-OWCLPIDISA-N	1	0	359.470	1.684	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)c1ccn(C)c(=O)c1	ZINC001092741693	956241500	/nfs/dbraw/zinc/24/15/00/956241500.db2.gz	IHMBBOMDONAWDG-DNVCBOLYSA-N	1	0	364.449	1.755	20	30		FDEDRO
Cc1cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C3)c(C#N)cn1	ZINC001092887078	956675666	/nfs/dbraw/zinc/67/56/66/956675666.db2.gz	VTKXKUNAMAANQP-VUHPKUFZSA-N	1	0	353.470	1.828	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1	ZINC001092887409	956676944	/nfs/dbraw/zinc/67/69/44/956676944.db2.gz	BUWLUCPKKAFVBG-QPSCCSFWSA-N	1	0	360.437	1.254	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2COCCN2CC(F)F)[C@H](C)C1	ZINC001092856052	956702354	/nfs/dbraw/zinc/70/23/54/956702354.db2.gz	UVUCVSUBGNOOAA-BZUAXINKSA-N	1	0	359.461	1.603	20	30		FDEDRO
CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1)[NH+](CC)CC	ZINC001092910336	956751164	/nfs/dbraw/zinc/75/11/64/956751164.db2.gz	CPUWXXVNQIOTCN-QZWWFDLISA-N	1	0	356.474	1.695	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H](C)C1	ZINC001092889868	956802481	/nfs/dbraw/zinc/80/24/81/956802481.db2.gz	NXLZVKVHJUPVJW-REPJOTQGSA-N	1	0	369.465	1.643	20	30		FDEDRO
N#Cc1cncc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC[NH+]2CCCC2)C3)n1	ZINC001092980053	956982851	/nfs/dbraw/zinc/98/28/51/956982851.db2.gz	OLRCGJMFEXTHQA-ZACQAIPSSA-N	1	0	354.458	1.450	20	30		FDEDRO
Cc1nsc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(C[NH+](C)C)CC2)C3)c1C#N	ZINC001093037472	957258366	/nfs/dbraw/zinc/25/83/66/957258366.db2.gz	KLJHXBAJSIAESC-YUELXQCFSA-N	1	0	359.499	1.891	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@H]2C)nn1	ZINC001093040326	957264330	/nfs/dbraw/zinc/26/43/30/957264330.db2.gz	NDJPZXZVXSZEPB-BRWVUGGUSA-N	1	0	361.490	1.721	20	30		FDEDRO
CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1CN(c1ncc(C#N)cc1F)C2	ZINC001093087441	957300913	/nfs/dbraw/zinc/30/09/13/957300913.db2.gz	GMTIHDYPVDCAHZ-KXBFYZLASA-N	1	0	359.449	1.908	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc3ccccn3c2F)C1	ZINC001197478989	972258750	/nfs/dbraw/zinc/25/87/50/972258750.db2.gz	MVIGFXKGAMQNOI-HUUCEWRRSA-N	1	0	360.433	1.995	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CNC(=O)c2cnon2)[C@H](C)C1	ZINC001093070695	957323511	/nfs/dbraw/zinc/32/35/11/957323511.db2.gz	NVORRBBGDBBDKD-IUODEOHRSA-N	1	0	355.398	1.448	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)c1ncccn1	ZINC001093072338	957328896	/nfs/dbraw/zinc/32/88/96/957328896.db2.gz	XJFNNHBGZVTGRY-CZUORRHYSA-N	1	0	353.401	1.985	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H]3CCC[C@]3(NC(=O)CC[NH+](C)C)C2)n1	ZINC001093104673	957454779	/nfs/dbraw/zinc/45/47/79/957454779.db2.gz	IXPQEXKQDYPZBE-LIRRHRJNSA-N	1	0	356.474	1.337	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1CN(c1ncc(C#N)cc1F)C2	ZINC001093092096	957540385	/nfs/dbraw/zinc/54/03/85/957540385.db2.gz	CUSQJYQAIFTTIS-KXBFYZLASA-N	1	0	359.449	1.909	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2cncc(C#N)n2)C1	ZINC001093114381	957553332	/nfs/dbraw/zinc/55/33/32/957553332.db2.gz	YYWFBMYVKLWFPL-CHWSQXEVSA-N	1	0	370.379	1.491	20	30		FDEDRO
C[NH+](C)CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2ccncc2C#N)C1	ZINC001093115623	957558139	/nfs/dbraw/zinc/55/81/39/957558139.db2.gz	KGNHDGVQEPKOLB-UKRRQHHQSA-N	1	0	369.391	1.518	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]2C)cn1	ZINC001093142982	957640459	/nfs/dbraw/zinc/64/04/59/957640459.db2.gz	MIIKDZUKYAHGER-QGPMSJSTSA-N	1	0	364.453	1.140	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccnc(OC)c3)C[C@H]2C)cn1	ZINC001093143106	957640534	/nfs/dbraw/zinc/64/05/34/957640534.db2.gz	PHPKWOFZLCXLLV-CRAIPNDOSA-N	1	0	364.449	1.964	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Cn3cccn3)on2)C1	ZINC001197574999	972289732	/nfs/dbraw/zinc/28/97/32/972289732.db2.gz	KGZSLYPKLDPLQC-KBRIMQKVSA-N	1	0	359.430	1.049	20	30		FDEDRO
CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C	ZINC001093233654	957875070	/nfs/dbraw/zinc/87/50/70/957875070.db2.gz	UHFRBLLMXMYFND-CDHQVMDDSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)/C=C/c3ccc[nH]3)C[C@H]2C)C1=O	ZINC001093274055	957944206	/nfs/dbraw/zinc/94/42/06/957944206.db2.gz	KMQVANWBRQVJQE-XLAJCPDQSA-N	1	0	370.497	1.889	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3ocnc3C)C[C@H]2C)C1=O	ZINC001093275290	957945848	/nfs/dbraw/zinc/94/58/48/957945848.db2.gz	XQRRFUBMXSFSAN-BMFZPTHFSA-N	1	0	360.458	1.458	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CC[NH2+][C@H]1CCN(C(C)(C)C)C1=O	ZINC001093278220	957949139	/nfs/dbraw/zinc/94/91/39/957949139.db2.gz	QNFQXZAUOCHGOT-NXHRZFHOSA-N	1	0	359.514	1.873	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3ccns3)C[C@H]2C)C1=O	ZINC001093279418	957952188	/nfs/dbraw/zinc/95/21/88/957952188.db2.gz	ZXBRKMPPGHCOJA-RBSFLKMASA-N	1	0	362.499	1.618	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCCNC2=O)C1	ZINC001093287810	957976370	/nfs/dbraw/zinc/97/63/70/957976370.db2.gz	IPCNNJRTHQPBBU-AHRSYUTCSA-N	1	0	367.493	1.563	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H]3CCN(CC)C3=O)C2)nc1	ZINC001093289141	957980487	/nfs/dbraw/zinc/98/04/87/957980487.db2.gz	PGCVDZLJDSSBLJ-SZVBFZGTSA-N	1	0	368.481	1.372	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CC3=CCCCC3)nn2)C1	ZINC001093334359	958000536	/nfs/dbraw/zinc/00/05/36/958000536.db2.gz	BQGONDBFSMKKEA-MOPGFXCFSA-N	1	0	371.485	1.843	20	30		FDEDRO
CC#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC1	ZINC001093378861	958017917	/nfs/dbraw/zinc/01/79/17/958017917.db2.gz	VDZGKISRNWGDQE-CEXWTWQISA-N	1	0	371.525	1.827	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093435748	958065810	/nfs/dbraw/zinc/06/58/10/958065810.db2.gz	VRGNVPVBADNASP-AHCXZYCDSA-N	1	0	366.893	1.602	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)c2cc(C#N)c[nH]2)C[C@]12C[C@@H](O)[C@H]([NH2+]CC1CC1)C2	ZINC001093438893	958072392	/nfs/dbraw/zinc/07/23/92/958072392.db2.gz	HMZZUCNPFUFAFA-MLYOOKFZSA-N	1	0	356.470	1.876	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(C)c3N)[C@@H]2C(C)C)C[C@H]1O	ZINC001093441578	958079005	/nfs/dbraw/zinc/07/90/05/958079005.db2.gz	BXQJCMVDYKTIRG-YKTARERQSA-N	1	0	361.490	1.158	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)C#CC2CC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cncn1C)C2	ZINC001093441838	958079070	/nfs/dbraw/zinc/07/90/70/958079070.db2.gz	BDKNKMYJMAUPHN-VURPSTOHSA-N	1	0	370.497	1.300	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3ccncn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093445451	958091919	/nfs/dbraw/zinc/09/19/19/958091919.db2.gz	CCXSJQJZPXPRMP-JYBIWHBTSA-N	1	0	356.470	1.009	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nn(C)cc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093446762	958096772	/nfs/dbraw/zinc/09/67/72/958096772.db2.gz	LTORRLLSXHQZQE-CIWUYKSXSA-N	1	0	360.502	1.884	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc4n(n3)CCCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093448939	958112126	/nfs/dbraw/zinc/11/21/26/958112126.db2.gz	DJYIWHIPBDRGHD-WERVVEIQSA-N	1	0	370.497	1.432	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(OCC)n[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093449320	958114827	/nfs/dbraw/zinc/11/48/27/958114827.db2.gz	FVTAPPUWFBCGRW-FXRXJOCMSA-N	1	0	362.474	1.574	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C4CC4)n(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093450972	958129802	/nfs/dbraw/zinc/12/98/02/958129802.db2.gz	YUFLLWRFPXIBRH-VELGLUOQSA-N	1	0	370.497	1.510	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc4n[nH]nc4c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093451288	958132356	/nfs/dbraw/zinc/13/23/56/958132356.db2.gz	SNFGCJZMTFNAOA-YKTARERQSA-N	1	0	370.457	1.119	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(=O)Nc3ccccc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093451904	958136912	/nfs/dbraw/zinc/13/69/12/958136912.db2.gz	AFRNPDWILYOTQR-NEYJZJCJSA-N	1	0	371.481	1.777	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3ccncc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452092	958138425	/nfs/dbraw/zinc/13/84/25/958138425.db2.gz	CMVFJYKIKMUQLJ-UKAVVXHISA-N	1	0	355.482	1.614	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3coc(C4CC4)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093465619	958204309	/nfs/dbraw/zinc/20/43/09/958204309.db2.gz	IPPZRXGIOFKCAP-OYRIPWCXSA-N	1	0	357.454	1.765	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc(C)nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093467998	958216942	/nfs/dbraw/zinc/21/69/42/958216942.db2.gz	WYDCIJSDGOWDGG-MLYOOKFZSA-N	1	0	358.486	1.859	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)nc(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093469869	958224503	/nfs/dbraw/zinc/22/45/03/958224503.db2.gz	MJTHQXLKXDTMAO-FTEYMNFISA-N	1	0	358.486	1.859	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(C(F)F)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093469923	958224716	/nfs/dbraw/zinc/22/47/16/958224716.db2.gz	NKQRLJNLPSCYKS-BSXFFOKHSA-N	1	0	366.412	1.491	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3conc3COC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093472386	958239101	/nfs/dbraw/zinc/23/91/01/958239101.db2.gz	KXOUHVIAIAFCNF-KLICCBINSA-N	1	0	361.442	1.034	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn4ccccc4n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093472929	958241507	/nfs/dbraw/zinc/24/15/07/958241507.db2.gz	LUGILVRFEHGYFT-WELBPKCISA-N	1	0	366.465	1.547	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn4ccccc4n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093472927	958241631	/nfs/dbraw/zinc/24/16/31/958241631.db2.gz	LUGILVRFEHGYFT-QSRMWPQZSA-N	1	0	366.465	1.547	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3sccc3OC)[C@H]2C(C)C)C[C@H]1O	ZINC001093473007	958242956	/nfs/dbraw/zinc/24/29/56/958242956.db2.gz	OCYXKQWVEXLERM-GNSPCKGOSA-N	1	0	362.495	1.970	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(CC)c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093473734	958245135	/nfs/dbraw/zinc/24/51/35/958245135.db2.gz	RXVDTFMJJJYDEO-MLYOOKFZSA-N	1	0	360.502	1.977	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn4c3CCCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093474303	958247300	/nfs/dbraw/zinc/24/73/00/958247300.db2.gz	UQZWAHXBVNCWOX-XLBJILASSA-N	1	0	370.497	1.432	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3coc(OCC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093453020	958260658	/nfs/dbraw/zinc/26/06/58/958260658.db2.gz	SCTBGJNUJNLRLA-RGPZOAQRSA-N	1	0	363.458	1.839	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)c3cccnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093453100	958261518	/nfs/dbraw/zinc/26/15/18/958261518.db2.gz	TVBFHDNDKCSICH-NXWNEQKCSA-N	1	0	369.509	1.959	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc[nH]c3=O)[C@H]2C(C)C)C[C@H]1O	ZINC001093453082	958262132	/nfs/dbraw/zinc/26/21/32/958262132.db2.gz	SXUJZCVVCMBYOM-JEWRLFTDSA-N	1	0	360.458	1.338	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(C)c3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001093453607	958263299	/nfs/dbraw/zinc/26/32/99/958263299.db2.gz	WXAUXWGBJZOQHU-LBKNJMOBSA-N	1	0	360.502	1.748	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(C)c3Cl)[C@@H]2C(C)C)C[C@H]1O	ZINC001093454139	958265423	/nfs/dbraw/zinc/26/54/23/958265423.db2.gz	ZPCCGEHIUJCBNA-ADAWSYLGSA-N	1	0	364.877	1.286	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)cnn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093455021	958270696	/nfs/dbraw/zinc/27/06/96/958270696.db2.gz	JDOSGLLXRUEULR-QQTQMKHKSA-N	1	0	360.502	1.884	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3csnn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093455936	958275286	/nfs/dbraw/zinc/27/52/86/958275286.db2.gz	RVEOWXHAKAUTBH-UTXMOHQDSA-N	1	0	350.488	1.694	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc4[nH]ccc4n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093456894	958278845	/nfs/dbraw/zinc/27/88/45/958278845.db2.gz	HCOQICUJWAPXHL-WERVVEIQSA-N	1	0	366.465	1.776	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)c(C)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093457814	958280627	/nfs/dbraw/zinc/28/06/27/958280627.db2.gz	LGFMXPDMJWZJQV-ANTGDGSKSA-N	1	0	355.482	1.911	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3nc(C)cc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093458217	958282071	/nfs/dbraw/zinc/28/20/71/958282071.db2.gz	MLGRQOZENLXKSF-LFGUQSLTSA-N	1	0	360.502	1.652	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CCCOC)c2)C1	ZINC001197644364	972335269	/nfs/dbraw/zinc/33/52/69/972335269.db2.gz	LWVCINQAXXROET-DJIMGWMZSA-N	1	0	350.463	1.049	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3ccnc(F)c3)C[C@H]2C)C1=O	ZINC001093665586	958465257	/nfs/dbraw/zinc/46/52/57/958465257.db2.gz	MMEGJYWRBAFGKT-BMFZPTHFSA-N	1	0	360.433	1.305	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3ccc(F)nc3)C[C@H]2C)C1=O	ZINC001093675557	958523156	/nfs/dbraw/zinc/52/31/56/958523156.db2.gz	BLIJKUYFVWWTBA-FVQBIDKESA-N	1	0	360.433	1.305	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2C(F)F)C1	ZINC001197680807	972356425	/nfs/dbraw/zinc/35/64/25/972356425.db2.gz	ARXNCMYOTLMPSF-ZIAGYGMSSA-N	1	0	356.417	1.879	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2COC(=O)C2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093715996	958586945	/nfs/dbraw/zinc/58/69/45/958586945.db2.gz	YJNDWLXYWQVBAN-ZTFGCOKTSA-N	1	0	355.438	1.696	20	30		FDEDRO
CC(C)N1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)C1=O	ZINC001093722450	958597715	/nfs/dbraw/zinc/59/77/15/958597715.db2.gz	DZGXIHCOCUDKMD-IIAWOOMASA-N	1	0	357.458	1.193	20	30		FDEDRO
CC(C)Cc1noc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)n1	ZINC001093722574	958599542	/nfs/dbraw/zinc/59/95/42/958599542.db2.gz	PGSSGUBUFPIFPC-ZIAGYGMSSA-N	1	0	370.457	1.966	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1nc(C2CC2)nn1C	ZINC001093725745	958608668	/nfs/dbraw/zinc/60/86/68/958608668.db2.gz	CEBMIVARBOKAEL-IUODEOHRSA-N	1	0	367.457	1.390	20	30		FDEDRO
CC(C)Cn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC001093726209	958612537	/nfs/dbraw/zinc/61/25/37/958612537.db2.gz	RXIUAEKUYRJCCH-GDBMZVCRSA-N	1	0	369.473	1.632	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001093728657	958620499	/nfs/dbraw/zinc/62/04/99/958620499.db2.gz	LBJARACWJURHMN-IUODEOHRSA-N	1	0	370.432	1.511	20	30		FDEDRO
CC(=O)N1CC(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)s3)[C@H](C)C2)C1	ZINC001093737144	958647168	/nfs/dbraw/zinc/64/71/68/958647168.db2.gz	RHDZHOOENQSTNH-TZMCWYRMSA-N	1	0	360.483	1.282	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C	ZINC001093796586	958806426	/nfs/dbraw/zinc/80/64/26/958806426.db2.gz	XMZZNGUUPDKELD-RHSMWYFYSA-N	1	0	368.441	1.043	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+][C@H](C)c2nnnn2C)[C@H](C)C1	ZINC001093824973	958904545	/nfs/dbraw/zinc/90/45/45/958904545.db2.gz	XAYYBXWQNUEIBO-RBSFLKMASA-N	1	0	357.462	1.257	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nc(C)c(C)o2)[C@H](C)C1	ZINC001093830796	958922493	/nfs/dbraw/zinc/92/24/93/958922493.db2.gz	SULMTKPBZIGABC-OLMNPRSZSA-N	1	0	358.486	1.573	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ncc(CC)o2)[C@H](C)C1	ZINC001093833104	958928448	/nfs/dbraw/zinc/92/84/48/958928448.db2.gz	RXZSAWHRNARVMO-NUJGCVRESA-N	1	0	358.486	1.519	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCN(C)C2=O)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093847132	958970964	/nfs/dbraw/zinc/97/09/64/958970964.db2.gz	RCAAIFRHXNNBTK-JTDSTZFVSA-N	1	0	368.481	1.611	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C[NH2+]Cc2cnnn2C)[C@H](C)C1	ZINC001093870296	959055264	/nfs/dbraw/zinc/05/52/64/959055264.db2.gz	NSZUBXVRJGNIET-HZPDHXFCSA-N	1	0	369.469	1.878	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCCC(=O)N2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093905143	959285767	/nfs/dbraw/zinc/28/57/67/959285767.db2.gz	RANGQUIJIYNFPP-ATZDWAIDSA-N	1	0	368.481	1.801	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)c2n[nH]nc2C)C[C@H]1C	ZINC001093959323	959360384	/nfs/dbraw/zinc/36/03/84/959360384.db2.gz	XFNAZCDMPOMKTA-MLGOLLRUSA-N	1	0	368.441	1.491	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093988015	959433626	/nfs/dbraw/zinc/43/36/26/959433626.db2.gz	QXTPLCNXPNGEJW-XJKCOSOUSA-N	1	0	360.483	1.425	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]CC3CCS(=O)(=O)CC3)[C@H](C)C2)C1	ZINC001094026651	959547650	/nfs/dbraw/zinc/54/76/50/959547650.db2.gz	NIMZHCVNSHULKP-NVXWUHKLSA-N	1	0	368.543	1.852	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nc(C3CC3)nn2C)[C@H](C)C1	ZINC001094057792	959651014	/nfs/dbraw/zinc/65/10/14/959651014.db2.gz	YDCGIAOWHCIMRI-DZUCGIPZSA-N	1	0	373.501	1.468	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nc(CC3CC3)no2)[C@H](C)C1	ZINC001094057239	959651597	/nfs/dbraw/zinc/65/15/97/959651597.db2.gz	IPXFVRLVVABJEC-DZUCGIPZSA-N	1	0	374.485	1.797	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1C	ZINC001094067531	959687184	/nfs/dbraw/zinc/68/71/84/959687184.db2.gz	UEHHWXXMFWNUFI-RDTXWAMCSA-N	1	0	365.437	1.855	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3cnn(C)c3)[C@H](C)C2)nn1	ZINC001094101108	959700349	/nfs/dbraw/zinc/70/03/49/959700349.db2.gz	IRFJMXVJMAVGDV-GDBMZVCRSA-N	1	0	357.462	1.086	20	30		FDEDRO
C[C@@H]1CN(C(=O)COC2CCOCC2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001094084007	959734062	/nfs/dbraw/zinc/73/40/62/959734062.db2.gz	HKCDEKJEKFNJIS-VQIMIIECSA-N	1	0	371.481	1.938	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3cn(C)nc3C)[C@H](C)C2)nn1	ZINC001094095478	959772045	/nfs/dbraw/zinc/77/20/45/959772045.db2.gz	SBVJULMCMHRYLJ-UKRRQHHQSA-N	1	0	357.462	1.004	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)c3nnc(C)o3)[C@H](C)C2)nn1	ZINC001094095604	959773599	/nfs/dbraw/zinc/77/35/99/959773599.db2.gz	UYGBGFYCMPHJQO-MBNYWOFBSA-N	1	0	359.434	1.214	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3csc(C)n3)[C@H](C)C2)nn1	ZINC001094095843	959773796	/nfs/dbraw/zinc/77/37/96/959773796.db2.gz	ZBARUTDFYBSSAR-TZMCWYRMSA-N	1	0	360.487	1.727	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]CC3CCOCC3)[C@H](C)C2)nn1	ZINC001094100026	959784251	/nfs/dbraw/zinc/78/42/51/959784251.db2.gz	XOXVPMIGIHFAII-NVXWUHKLSA-N	1	0	361.490	1.579	20	30		FDEDRO
Cc1cc(C#N)nc(NCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)n1	ZINC001094131810	959854500	/nfs/dbraw/zinc/85/45/00/959854500.db2.gz	BMGGTNUBPZLWRI-MSOLQXFVSA-N	1	0	364.453	1.530	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cc3ncc[nH]3)C[C@H]2C)cc1C#N	ZINC001094133150	959857136	/nfs/dbraw/zinc/85/71/36/959857136.db2.gz	WTSAXIKMVKIXII-RHSMWYFYSA-N	1	0	367.453	1.717	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3nccs3)[C@H](C)C2)nn1	ZINC001094101494	959883110	/nfs/dbraw/zinc/88/31/10/959883110.db2.gz	WCVKQKKCZDYUTH-ZIAGYGMSSA-N	1	0	360.487	1.809	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnsn2)[C@H](C)C1	ZINC001094103263	959884924	/nfs/dbraw/zinc/88/49/24/959884924.db2.gz	JKOFHHOXFHENEX-VDERGJSUSA-N	1	0	350.488	1.703	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C[NH2+]Cc2cnn(C)n2)[C@H](C)C1	ZINC001094158695	959928105	/nfs/dbraw/zinc/92/81/05/959928105.db2.gz	DNOGAAYYRXGBHQ-HUUCEWRRSA-N	1	0	370.457	1.273	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cccnc3OC)[C@H](C)C2)cn1	ZINC001094174276	959976181	/nfs/dbraw/zinc/97/61/81/959976181.db2.gz	CCHYNOSMQWOQIX-CRAIPNDOSA-N	1	0	364.449	1.964	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](C)c3csnn3)[C@H](C)C2)cn1	ZINC001094174517	959978547	/nfs/dbraw/zinc/97/85/47/959978547.db2.gz	MJUUJPKVEZDWPB-UMVBOHGHSA-N	1	0	355.467	1.973	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)c3nnc(C)[nH]3)[C@H](C)C2)cn1	ZINC001094175010	959979630	/nfs/dbraw/zinc/97/96/30/959979630.db2.gz	WQNMVBAFIUCYRR-DVOMOZLQSA-N	1	0	352.442	1.548	20	30		FDEDRO
Cc1nonc1CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)[C@H](C)C1	ZINC001094142002	959997292	/nfs/dbraw/zinc/99/72/92/959997292.db2.gz	CCJVRQFCOXSLHT-MLGOLLRUSA-N	1	0	371.416	1.816	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001094213969	960019487	/nfs/dbraw/zinc/01/94/87/960019487.db2.gz	DCHTZXIXFVRSDA-VQIMIIECSA-N	1	0	364.449	1.604	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]Cc2csnn2)[C@H](C)C1	ZINC001094188450	960070284	/nfs/dbraw/zinc/07/02/84/960070284.db2.gz	WJKDSZRQVFSECU-RHSMWYFYSA-N	1	0	354.479	1.946	20	30		FDEDRO
CCN1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3ccccc3C#N)[C@H](C)C2)C1	ZINC001094233974	960143445	/nfs/dbraw/zinc/14/34/45/960143445.db2.gz	BPDLDOKBVCWNDF-NSISKUIASA-N	1	0	370.497	1.463	20	30		FDEDRO
C=C[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2C)[C@H](C)C1)c1ccccc1	ZINC001094237261	960150047	/nfs/dbraw/zinc/15/00/47/960150047.db2.gz	ZEDDNYRECVPJOR-NXHRZFHOSA-N	1	0	353.470	1.969	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1cn(C2C[NH+](CC(CC)CC)C2)nn1	ZINC001094320894	960251191	/nfs/dbraw/zinc/25/11/91/960251191.db2.gz	SKZQIRCMNCAICW-MSOLQXFVSA-N	1	0	361.490	1.778	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@]3(CNC(=O)c4cccnc4)CCC[C@@H]23)C1=O	ZINC001094349817	960279788	/nfs/dbraw/zinc/27/97/88/960279788.db2.gz	IWMLSRCNZUVTBG-DBXWQHBBSA-N	1	0	368.481	1.843	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@]3(CNC(=O)c4ncc[nH]4)CCC[C@@H]23)C1=O	ZINC001094409924	960393251	/nfs/dbraw/zinc/39/32/51/960393251.db2.gz	QGCMKDNGWAHYKH-QMTMVMCOSA-N	1	0	357.458	1.171	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)CCC[C@@H]12	ZINC001094423913	960421556	/nfs/dbraw/zinc/42/15/56/960421556.db2.gz	DJUJZSMYHFAPMO-DBXWQHBBSA-N	1	0	357.498	1.629	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)c3cccn4nnnc34)CCC[C@@H]12	ZINC001094424483	960423487	/nfs/dbraw/zinc/42/34/87/960423487.db2.gz	VIPOWJYONZSWTD-RHSMWYFYSA-N	1	0	360.849	1.851	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc4c3NC(=O)CO4)CCC[C@@H]12	ZINC001094433380	960445998	/nfs/dbraw/zinc/44/59/98/960445998.db2.gz	HNODDKOGPJWARY-OXQOHEQNSA-N	1	0	353.422	1.625	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3c3ncccn3)CCC[C@@H]12	ZINC001094438958	960487327	/nfs/dbraw/zinc/48/73/27/960487327.db2.gz	USEGEUTUAJFUBF-DBXWQHBBSA-N	1	0	367.497	1.830	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3sccc3-n3ccnn3)CCC[C@@H]12	ZINC001094442695	960504071	/nfs/dbraw/zinc/50/40/71/960504071.db2.gz	VMDNMQZOIIUWKD-CRAIPNDOSA-N	1	0	355.467	1.936	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3COCCN3CC3CCC3)CCC[C@@H]12	ZINC001094477972	960649993	/nfs/dbraw/zinc/64/99/93/960649993.db2.gz	NLKXHMHQBQXNMH-SFHLNBCPSA-N	1	0	359.514	1.481	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH]nc3[C@H]3CCOC3)CCC[C@@H]12	ZINC001094478575	960656458	/nfs/dbraw/zinc/65/64/58/960656458.db2.gz	WBSZHOBMUNHNBT-XAUMDUMWSA-N	1	0	356.470	1.911	20	30		FDEDRO
C#C[C@H]([NH2+][C@H](C)C(=O)N(C)C[C@H]1COc2ccccc2O1)[C@H]1CCCO1	ZINC000775794357	972526770	/nfs/dbraw/zinc/52/67/70/972526770.db2.gz	HVYVTFZGVCGLOU-LTIDMASMSA-N	1	0	358.438	1.444	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](C[C@H]2CCOC2)CC3)nn1	ZINC001094531621	960741325	/nfs/dbraw/zinc/74/13/25/960741325.db2.gz	XZGKLUXPHBBCLK-SZVBFZGTSA-N	1	0	359.474	1.475	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](C[C@@H]2CCOC2)CC3)nn1	ZINC001094531620	960742119	/nfs/dbraw/zinc/74/21/19/960742119.db2.gz	XZGKLUXPHBBCLK-KVSKMBFKSA-N	1	0	359.474	1.475	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC)CC2	ZINC001094532544	960743500	/nfs/dbraw/zinc/74/35/00/960743500.db2.gz	ATNPQBNVOUJKJG-WBQJQJEBSA-N	1	0	363.502	1.465	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(-n4ccnc4)nn3)CCC[C@@H]12	ZINC001094535881	960756719	/nfs/dbraw/zinc/75/67/19/960756719.db2.gz	URHXEQLPPYYBJV-YLJYHZDGSA-N	1	0	364.453	1.660	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3nc4nccc(C)n4n3)CCC[C@@H]12	ZINC001094571587	960842028	/nfs/dbraw/zinc/84/20/28/960842028.db2.gz	MFWLKSYJRQPATN-DNVCBOLYSA-N	1	0	352.442	1.430	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CN(C(C)=O)CCO3)CCC[C@@H]12	ZINC001094571180	960842637	/nfs/dbraw/zinc/84/26/37/960842637.db2.gz	XCSLHRPVKWTWBA-QWFCFKBJSA-N	1	0	363.502	1.561	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(C(=O)NC)n3)CCC[C@@H]12	ZINC001094572632	960848101	/nfs/dbraw/zinc/84/81/01/960848101.db2.gz	QGBWXUOFICABCQ-YLJYHZDGSA-N	1	0	354.454	1.439	20	30		FDEDRO
C=C(C)CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3ccco3)CC2=O)C1	ZINC001094789281	961167364	/nfs/dbraw/zinc/16/73/64/961167364.db2.gz	YXSWAFFHFBIVEM-USXIJHARSA-N	1	0	357.454	1.751	20	30		FDEDRO
COC(=O)C1(Nc2ncncc2C#N)CC[NH+](Cc2ccccc2)CC1	ZINC001171503844	961208480	/nfs/dbraw/zinc/20/84/80/961208480.db2.gz	OUBBPYBIVXZOLY-UHFFFAOYSA-N	1	0	351.410	1.390	20	30		FDEDRO
N#Cc1cc(Br)ccc1-c1noc(C2=NO[C@H]3C[NH2+]C[C@@H]23)n1	ZINC001212627266	961301571	/nfs/dbraw/zinc/30/15/71/961301571.db2.gz	KCOCPDWTUDDQCX-MNOVXSKESA-N	1	0	360.171	1.693	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)n1nc(C(=O)N2CCOCC2)c2c1C[NH2+]C2	ZINC001172309248	961618219	/nfs/dbraw/zinc/61/82/19/961618219.db2.gz	RVKGCPVYFWXEPF-AWEZNQCLSA-N	1	0	365.437	1.634	20	30		FDEDRO
CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)CCCC#N)C(N)=O	ZINC001172491338	961686439	/nfs/dbraw/zinc/68/64/39/961686439.db2.gz	MWPKIXSRVKWLEX-QGTPRVQTSA-N	1	0	374.485	1.601	20	30		FDEDRO
COC(=O)C1(C#N)CC[NH+]([C@H]2CCN(Cc3ccccc3)C(=O)C2)CC1	ZINC001172686818	961735037	/nfs/dbraw/zinc/73/50/37/961735037.db2.gz	JLSIBUWVHHNMPY-KRWDZBQOSA-N	1	0	355.438	1.956	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=O)C[NH2+][C@H]2CCC[C@H](C#N)C2)CC1	ZINC000774135268	961758305	/nfs/dbraw/zinc/75/83/05/961758305.db2.gz	UTIWRVBVSYSUFC-GJZGRUSLSA-N	1	0	350.463	1.738	20	30		FDEDRO
COC(=O)[C@@H]1CCC[C@@H](NC(=[NH2+])c2ccc(S(C)(=O)=O)cc2)CC1	ZINC001172776732	961785012	/nfs/dbraw/zinc/78/50/12/961785012.db2.gz	MOPKERNGDOZAHA-ZIAGYGMSSA-N	1	0	352.456	1.917	20	30		FDEDRO
CC(C)(C)OC(=O)CN1CCC(NC(=[NH2+])c2ccc(C(N)=O)cc2)CC1	ZINC001172886568	961818532	/nfs/dbraw/zinc/81/85/32/961818532.db2.gz	ITTQUCRHMAMABY-UHFFFAOYSA-N	1	0	360.458	1.297	20	30		FDEDRO
C#CCN(C(=O)NCCCCCCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1	ZINC000774195097	961820764	/nfs/dbraw/zinc/82/07/64/961820764.db2.gz	CCTNFFQPSJXTDX-MRXNPFEDSA-N	1	0	357.520	1.330	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([N@@H+]3CCO[C@@H]4C[C@@H](CO)C[C@@H]43)CC2)cc1	ZINC001173429594	962143799	/nfs/dbraw/zinc/14/37/99/962143799.db2.gz	ABMWZRLHVJUPJR-FFZOFVMBSA-N	1	0	369.465	1.635	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([N@@H+]3CC[C@H]4CNC(=O)[C@H]4C3)CC2)cc1	ZINC001173432560	962152692	/nfs/dbraw/zinc/15/26/92/962152692.db2.gz	DKIPORLANQMIOS-WMZOPIPTSA-N	1	0	352.438	1.231	20	30		FDEDRO
CNC(=O)N[C@H]1CCC[N@@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1	ZINC001173434236	962156548	/nfs/dbraw/zinc/15/65/48/962156548.db2.gz	GTPLODDTNIBVTL-KRWDZBQOSA-N	1	0	369.469	1.556	20	30		FDEDRO
N#CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2COCCO2)C3)cc1	ZINC001095191698	962274934	/nfs/dbraw/zinc/27/49/34/962274934.db2.gz	HOLIAXQDGRYCEB-BVBHFADKSA-N	1	0	371.437	1.226	20	30		FDEDRO
C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](CN2C(=O)C=CC2=O)CC1	ZINC001182564025	962309236	/nfs/dbraw/zinc/30/92/36/962309236.db2.gz	GEJUBYYFJNUOSN-ULQDDVLXSA-N	1	0	359.470	1.484	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NCCC)C1	ZINC001182669090	962378214	/nfs/dbraw/zinc/37/82/14/962378214.db2.gz	FIKBAJTXADJVIS-OAFZBRQQSA-N	1	0	351.491	1.178	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC(C)(C)C)C1	ZINC001182670910	962381926	/nfs/dbraw/zinc/38/19/26/962381926.db2.gz	VXNQFLDNVVUDGH-OAGGEKHMSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CCOC[C@H]1c2nnn(C)c2CCN1C1CCN(CC(F)(F)F)CC1	ZINC001173668446	962547838	/nfs/dbraw/zinc/54/78/38/962547838.db2.gz	GLBODXPLXCFJFK-HNNXBMFYSA-N	1	0	373.423	1.944	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1Cc2ccnn2C[C@@H](C(=O)N2CCCC2)C1	ZINC001183043452	962756679	/nfs/dbraw/zinc/75/66/79/962756679.db2.gz	SBLPVRMZEPOKRB-KRWDZBQOSA-N	1	0	371.485	1.116	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](O)Cc2ccccc2)c1	ZINC001095282945	962766416	/nfs/dbraw/zinc/76/64/16/962766416.db2.gz	DTTKZCOQCMJKOC-LXZJYRNTSA-N	1	0	364.449	1.825	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)Nc1ccccc1N1CCC(C(N)=O)CC1	ZINC001183076353	962778637	/nfs/dbraw/zinc/77/86/37/962778637.db2.gz	YPCIMBHSGMVHKJ-UHFFFAOYSA-N	1	0	356.470	1.979	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)C#Cc2ccccc2)C1	ZINC000773448501	963030222	/nfs/dbraw/zinc/03/02/22/963030222.db2.gz	MCNBLKJSWMPZBZ-GOSISDBHSA-N	1	0	358.438	1.054	20	30		FDEDRO
C[C@]12C[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@@]1(C)C(=O)NC2=O	ZINC001175250040	963110537	/nfs/dbraw/zinc/11/05/37/963110537.db2.gz	LWIYHPSIFYXCFR-CALCHBBNSA-N	1	0	360.801	1.135	20	30		FDEDRO
CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H](C#N)Cc2ccc(O)cc2)CC1	ZINC001183615503	963191658	/nfs/dbraw/zinc/19/16/58/963191658.db2.gz	DBMMPRVAGCEMEZ-OAHLLOKOSA-N	1	0	359.426	1.348	20	30		FDEDRO
Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]1CCCCN1Cc1ccccc1C#N	ZINC001183838720	963304102	/nfs/dbraw/zinc/30/41/02/963304102.db2.gz	LHNYJNMVLFCODM-SFHVURJKSA-N	1	0	364.453	1.696	20	30		FDEDRO
N#Cc1cncc(C[NH+]2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)c1	ZINC001176566661	963475778	/nfs/dbraw/zinc/47/57/78/963475778.db2.gz	AVPDALDMBHCSPK-UHFFFAOYSA-N	1	0	356.451	1.980	20	30		FDEDRO
C[NH+]1CCN(c2ccc(Nc3cc(=O)[nH]c4c(C#N)cnn43)cn2)CC1	ZINC001176655092	963519764	/nfs/dbraw/zinc/51/97/64/963519764.db2.gz	BQURRZSBBUDEEL-UHFFFAOYSA-N	1	0	350.386	1.197	20	30		FDEDRO
CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CCOCC1	ZINC001176659048	963520918	/nfs/dbraw/zinc/52/09/18/963520918.db2.gz	XZYOXUISARBIIR-HOTGVXAUSA-N	1	0	368.474	1.396	20	30		FDEDRO
O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1	ZINC001184483975	963631744	/nfs/dbraw/zinc/63/17/44/963631744.db2.gz	ZRURPMKKIJTOFV-ZGXWSNOMSA-N	1	0	354.450	1.280	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1	ZINC001184499255	963639735	/nfs/dbraw/zinc/63/97/35/963639735.db2.gz	BKMYIKCMSWTQEI-XWTMOSNGSA-N	1	0	360.502	1.765	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(c3nc(N)nc(Cl)c3N)CC2)cc1	ZINC001184681218	963695849	/nfs/dbraw/zinc/69/58/49/963695849.db2.gz	LCCYQMVHEVHLKA-UHFFFAOYSA-N	1	0	357.849	1.878	20	30		FDEDRO
CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)c2cc(Cl)c(C#N)c(Cl)n2)O1	ZINC001184817592	963725437	/nfs/dbraw/zinc/72/54/37/963725437.db2.gz	AMURNGNUWVXDKH-LALPHHSUSA-N	1	0	373.240	1.715	20	30		FDEDRO
CO/N=C(\C(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1)c1ccco1	ZINC001177352294	963796456	/nfs/dbraw/zinc/79/64/56/963796456.db2.gz	PDZPDIHXHRUZPG-UZYVYHOESA-N	1	0	372.425	1.383	20	30		FDEDRO
CO/N=C(\C(=O)NCc1cccc(N2CC[NH+](C)CC2)c1)c1ccco1	ZINC001177353914	963797075	/nfs/dbraw/zinc/79/70/75/963797075.db2.gz	WTORWRAWPGSVIR-UZYVYHOESA-N	1	0	356.426	1.698	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)CC1	ZINC000774824662	963799246	/nfs/dbraw/zinc/79/92/46/963799246.db2.gz	WEYWQHFUEBLTAG-NRFANRHFSA-N	1	0	371.481	1.522	20	30		FDEDRO
O=C(C#Cc1cccnc1)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1	ZINC001177777820	963950012	/nfs/dbraw/zinc/95/00/12/963950012.db2.gz	VGJLZCRSZJFXNJ-UHFFFAOYSA-N	1	0	372.432	1.404	20	30		FDEDRO
O=C(C#Cc1ccccn1)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1	ZINC001177801021	963974795	/nfs/dbraw/zinc/97/47/95/963974795.db2.gz	OAZSTXFADVHXTH-OXQOHEQNSA-N	1	0	366.396	1.521	20	30		FDEDRO
C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H](C#N)Cc2cccs2)CC1	ZINC001177917141	964020616	/nfs/dbraw/zinc/02/06/16/964020616.db2.gz	DIPCMLTUXXSUSS-RBSFLKMASA-N	1	0	362.499	1.536	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C1	ZINC001185684498	964044798	/nfs/dbraw/zinc/04/47/98/964044798.db2.gz	QCNBWDMJSSGCGT-KURKYZTESA-N	1	0	357.429	1.092	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2ccc(O)cc2)C1	ZINC001185759000	964089728	/nfs/dbraw/zinc/08/97/28/964089728.db2.gz	MJBXIDHBPYKYKZ-OIISXLGYSA-N	1	0	359.426	1.112	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3[nH]c(=O)oc31)C2	ZINC001110216583	964103439	/nfs/dbraw/zinc/10/34/39/964103439.db2.gz	UZAQHZNGVVMLSV-UGFHNGPFSA-N	1	0	370.409	1.171	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCc2cccs2)C1	ZINC001185749425	964104414	/nfs/dbraw/zinc/10/44/14/964104414.db2.gz	IRNIHOHFZSJRDC-BMFZPTHFSA-N	1	0	363.483	1.146	20	30		FDEDRO
C#CCC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)nn1	ZINC001185964655	964236060	/nfs/dbraw/zinc/23/60/60/964236060.db2.gz	YUDIFZVELKXCFD-DSLXNQLJSA-N	1	0	371.485	1.370	20	30		FDEDRO
C#CCNCc1cn([C@H]2CCCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)C2)nn1	ZINC001185973637	964242193	/nfs/dbraw/zinc/24/21/93/964242193.db2.gz	AOBKVLRCIHCPQM-DSLXNQLJSA-N	1	0	355.486	1.991	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CNC(C)=O)C1	ZINC001186155501	964326782	/nfs/dbraw/zinc/32/67/82/964326782.db2.gz	GESDROFQKHOTSW-IEBWSBKVSA-N	1	0	359.445	1.507	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H](C)NC(C)=O)C1	ZINC001186155869	964327887	/nfs/dbraw/zinc/32/78/87/964327887.db2.gz	JDEFPBYHJIXCMI-LSBZLQRGSA-N	1	0	359.445	1.505	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)C[C@@H]2CCNC2=O)C1	ZINC001186188509	964337185	/nfs/dbraw/zinc/33/71/85/964337185.db2.gz	DDPNGTYLOYRUBH-YQVWRLOYSA-N	1	0	371.456	1.507	20	30		FDEDRO
C#CCNC(=O)CC(=O)NC[C@@H]1C[N@@H+](CC=C)CC[C@@H]1c1ccc(F)cc1	ZINC001186188498	964337904	/nfs/dbraw/zinc/33/79/04/964337904.db2.gz	CQGFYTVSIPOEAP-IEBWSBKVSA-N	1	0	371.456	1.673	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cc2nc[nH]n2)C1	ZINC001186203207	964349471	/nfs/dbraw/zinc/34/94/71/964349471.db2.gz	GVVHPSANCOTUQC-SJLPKXTDSA-N	1	0	369.444	1.732	20	30		FDEDRO
C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC12CCOCC2	ZINC001186513993	964539666	/nfs/dbraw/zinc/53/96/66/964539666.db2.gz	VVLBVGOVMZDAHD-OKZBNKHCSA-N	1	0	356.470	1.002	20	30		FDEDRO
C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC([NH2+][C@@H]2CCOC2)C1	ZINC001179008629	964623790	/nfs/dbraw/zinc/62/37/90/964623790.db2.gz	OSHBGWSTMWEPLN-ZBFHGGJFSA-N	1	0	367.490	1.825	20	30		FDEDRO
C=CCc1c(F)c(F)c(C(=O)N(CC[NH3+])S(C)(=O)=O)c(F)c1F	ZINC001186704629	964666941	/nfs/dbraw/zinc/66/69/41/964666941.db2.gz	KHUVIQNFYRKRSH-UHFFFAOYSA-N	1	0	354.325	1.332	20	30		FDEDRO
C=CC[NH+]1CCC2(CCN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)CC2)CC1	ZINC000957579185	1013523951	/nfs/dbraw/zinc/52/39/51/1013523951.db2.gz	KABIWNPJWANVPN-SJORKVTESA-N	1	0	363.502	1.690	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ncnn2C(C)(C)C)C1	ZINC000962320575	1013526394	/nfs/dbraw/zinc/52/63/94/1013526394.db2.gz	AFNPVMWLXDLLCI-FJBKBRRZSA-N	1	0	361.490	1.609	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2cc(OC)ns2)C1	ZINC000962322392	1013531695	/nfs/dbraw/zinc/53/16/95/1013531695.db2.gz	WLVJJJOUTMMHRA-VHMBPLKRSA-N	1	0	351.472	1.727	20	30		FDEDRO
C[NH+]=C(NCC(=O)N1CCCC1)N[C@H]1CCN(c2cccc(OC)c2)C1	ZINC000262777865	964897969	/nfs/dbraw/zinc/89/79/69/964897969.db2.gz	LAATYQDUEUTNJN-HNNXBMFYSA-N	1	0	359.474	1.061	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+][C@H]2CCN(C(=O)[C@H]3OCC[C@H]3C)[C@H]2C)c1	ZINC001179557080	964916729	/nfs/dbraw/zinc/91/67/29/964916729.db2.gz	CWGIMTIAOCORDG-QIJLZVCCSA-N	1	0	369.465	1.610	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CCCCCCNC(=O)[C@H]2OCC[C@H]2C)C1=O	ZINC001179620392	964938124	/nfs/dbraw/zinc/93/81/24/964938124.db2.gz	MYHUGDACHAEFQZ-IKGGRYGDSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCCOC)[C@@H]2C1	ZINC001186994024	964938926	/nfs/dbraw/zinc/93/89/26/964938926.db2.gz	NGZCSSIVTQPRFM-OKZBNKHCSA-N	1	0	365.518	1.759	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+]CCn1nc(C)nc1C	ZINC001179634538	964941152	/nfs/dbraw/zinc/94/11/52/964941152.db2.gz	SNRNWZXHRBNCKW-MSOLQXFVSA-N	1	0	363.506	1.752	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCSCC)[C@@H]2C1	ZINC001187056018	964959634	/nfs/dbraw/zinc/95/96/34/964959634.db2.gz	YDGLJYKRFAVKMH-DLBZAZTESA-N	1	0	365.543	1.863	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CCc1ccccc1	ZINC001110389007	964983342	/nfs/dbraw/zinc/98/33/42/964983342.db2.gz	LRUPQTPIYMHTLE-WTGUMLROSA-N	1	0	358.482	1.904	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CCO[C@H]1C(=C)C	ZINC001179797061	964991939	/nfs/dbraw/zinc/99/19/39/964991939.db2.gz	JUNNJTWDSHQLRO-SQNIBIBYSA-N	1	0	363.502	1.372	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCCCC[NH2+][C@H](C)C(=O)NC1CC1	ZINC001179797216	964993273	/nfs/dbraw/zinc/99/32/73/964993273.db2.gz	RDFLTHJHXYHEPB-NJAFHUGGSA-N	1	0	365.518	1.901	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H](C[NH3+])C(=O)OCC1c2ccccc2-c2ccccc21	ZINC001179902361	965041481	/nfs/dbraw/zinc/04/14/81/965041481.db2.gz	JPGSCBQMQJQLLO-YJYMSZOUSA-N	1	0	363.417	1.945	20	30		FDEDRO
C=CCOc1cccnc1C(=O)OCC(=O)NC1CC[NH+](C(C)C)CC1	ZINC000775111706	965222996	/nfs/dbraw/zinc/22/29/96/965222996.db2.gz	DMQPSNUGLCFIHE-UHFFFAOYSA-N	1	0	361.442	1.792	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@H]2C[N@@H+](CCCc3nc(C)no3)C[C@H]21	ZINC001187479528	965410079	/nfs/dbraw/zinc/41/00/79/965410079.db2.gz	FDCHPNHLYOGQQX-DLBZAZTESA-N	1	0	362.474	1.826	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CCCO[C@@H]4CCOC4)C[C@H]32)[nH]1	ZINC001187547056	965489184	/nfs/dbraw/zinc/48/91/84/965489184.db2.gz	ROPSRDOVOAUCFD-YXJHDRRASA-N	1	0	358.442	1.228	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3C3CC3)C[C@H]21	ZINC001187591197	965510383	/nfs/dbraw/zinc/51/03/83/965510383.db2.gz	GFAGEUNASNFZGL-AZUAARDMSA-N	1	0	365.477	1.736	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCC(F)(F)C3)C[C@H]21	ZINC001187591922	965512367	/nfs/dbraw/zinc/51/23/67/965512367.db2.gz	YWXMRFYPNBCAOP-QLFBSQMISA-N	1	0	353.413	1.094	20	30		FDEDRO
C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@H](CC#N)NC(=O)OC(C)(C)C)C2	ZINC001180784602	965551720	/nfs/dbraw/zinc/55/17/20/965551720.db2.gz	GKYBRCJIROAENU-XQLPTFJDSA-N	1	0	350.463	1.925	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C(C)C)cc3)C[C@H]21	ZINC001187605887	965557422	/nfs/dbraw/zinc/55/74/22/965557422.db2.gz	WRLSWPVKOTVOJD-VQTJNVASSA-N	1	0	367.493	1.982	20	30		FDEDRO
CNC(=O)CCCC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001187630839	965579248	/nfs/dbraw/zinc/57/92/48/965579248.db2.gz	IPYKBBSVJVVYGP-ZWKOTPCHSA-N	1	0	354.454	1.507	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)Cc1ccc(OS(C)(=O)=O)cc1	ZINC001180871867	965670993	/nfs/dbraw/zinc/67/09/93/965670993.db2.gz	JBDANAOGDWJKLG-HNNXBMFYSA-N	1	0	352.456	1.334	20	30		FDEDRO
CC(C)C#CC(=O)N1CC[C@H]2C[N@H+](C[C@@H](O)COc3ccccc3)C[C@H]21	ZINC001187840565	965781847	/nfs/dbraw/zinc/78/18/47/965781847.db2.gz	HVCHNMRPAPMWAU-NLWGTHIKSA-N	1	0	356.466	1.618	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]21	ZINC001187849495	965788973	/nfs/dbraw/zinc/78/89/73/965788973.db2.gz	PMOJRYXRMOPKCL-JKSUJKDBSA-N	1	0	362.518	1.666	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@@H+](CCc3ccc(OC)cc3)C[C@H]21	ZINC001187857085	965796021	/nfs/dbraw/zinc/79/60/21/965796021.db2.gz	HXMYCPDFHOTNRY-AZUAARDMSA-N	1	0	356.466	1.810	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@H]21	ZINC001187857678	965798454	/nfs/dbraw/zinc/79/84/54/965798454.db2.gz	PEDJOWSCCRQCFJ-YESZJQIVSA-N	1	0	363.502	1.252	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(C(=O)NC)c3)C[C@H]21	ZINC001187874201	965869081	/nfs/dbraw/zinc/86/90/81/965869081.db2.gz	PCXVFHBYFIQBQR-RBUKOAKNSA-N	1	0	369.465	1.119	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CC4(COC)CC4)[C@@H]3C2)C1=O	ZINC001187890110	965893455	/nfs/dbraw/zinc/89/34/55/965893455.db2.gz	QIFWKXOERVMMFI-GVDBMIGSSA-N	1	0	361.486	1.123	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)NC(=O)CC(F)(F)F)[C@@H]2C1	ZINC001188018926	965976923	/nfs/dbraw/zinc/97/69/23/965976923.db2.gz	WVMXWNYNKBSKIR-MELADBBJSA-N	1	0	361.408	1.942	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1CC[C@H]2C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]21	ZINC001188033892	965983044	/nfs/dbraw/zinc/98/30/44/965983044.db2.gz	RKIGUAMQWYKVBL-DLBZAZTESA-N	1	0	369.531	1.179	20	30		FDEDRO
C=C(C)CCC(=O)N1CC[C@H]2CN(CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21	ZINC001188080958	965996751	/nfs/dbraw/zinc/99/67/51/965996751.db2.gz	RQJDFOXXYAZOLT-IXDOHACOSA-N	1	0	354.516	1.700	20	30		FDEDRO
CN(Cc1nc2ccccc2c(=O)n1CC#N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000796463033	1013629695	/nfs/dbraw/zinc/62/96/95/1013629695.db2.gz	ZYTDFJDMHOMLJX-XYPWUTKMSA-N	1	0	351.454	1.977	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cn(CC(F)F)nc3C)[C@@H]2C1	ZINC001188285534	966188165	/nfs/dbraw/zinc/18/81/65/966188165.db2.gz	KAJXGRPSLALPLS-GOEBONIOSA-N	1	0	368.428	1.806	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CCOCC(F)(F)F)[C@@H]2C1	ZINC001188420958	966278118	/nfs/dbraw/zinc/27/81/18/966278118.db2.gz	BUHFKOBRGGNJRK-UONOGXRCSA-N	1	0	350.381	1.691	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC000964507239	1013657252	/nfs/dbraw/zinc/65/72/52/1013657252.db2.gz	XDRZGBPTHBSRAV-FGTMMUONSA-N	1	0	371.485	1.728	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC000964507238	1013657589	/nfs/dbraw/zinc/65/75/89/1013657589.db2.gz	XBDKYGNBJVXCCP-SOLBZPMBSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CCN(C(=O)C23CCC[NH+]2CCC3)C1	ZINC000957632576	1013661302	/nfs/dbraw/zinc/66/13/02/1013661302.db2.gz	PRRVIRHXSHCTCZ-JTDSTZFVSA-N	1	0	361.486	1.313	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(-c2cnc(N(C)C)nc2)cn1C	ZINC001188911195	966626276	/nfs/dbraw/zinc/62/62/76/966626276.db2.gz	FCCHRNFOIGIQIY-KRWDZBQOSA-N	1	0	368.485	1.928	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4ccccc4C3)[C@@H]2C1	ZINC001189230275	966841507	/nfs/dbraw/zinc/84/15/07/966841507.db2.gz	JYQFFRXUEMUHFJ-QHAWAJNXSA-N	1	0	352.478	1.974	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)Cc4ccccc43)[C@@H]2C1	ZINC001189237768	966845754	/nfs/dbraw/zinc/84/57/54/966845754.db2.gz	KWHPXSPCZLYVDO-PKOBYXMFSA-N	1	0	369.465	1.311	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)c3ncoc3C3CC3)[C@@H]2C1	ZINC001189646835	967100142	/nfs/dbraw/zinc/10/01/42/967100142.db2.gz	UDBLHLMBRVEEJJ-AEGPPILISA-N	1	0	358.442	1.389	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3csc(COC)n3)[C@@H]2C1	ZINC001189683687	967156261	/nfs/dbraw/zinc/15/62/61/967156261.db2.gz	SKZFXHPLHDLSEK-GOEBONIOSA-N	1	0	363.483	1.015	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CCC(=O)NCCCOC)[C@@H]2C1	ZINC001189756034	967230794	/nfs/dbraw/zinc/23/07/94/967230794.db2.gz	QGGXHKCVVMNBGN-DLBZAZTESA-N	1	0	351.491	1.418	20	30		FDEDRO
C=CC[N@@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)[C@@H](C)COC	ZINC000852356802	967247670	/nfs/dbraw/zinc/24/76/70/967247670.db2.gz	OSKPEDUUHCRYJD-AWEZNQCLSA-N	1	0	366.462	1.185	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)C1=O	ZINC000852452305	967328858	/nfs/dbraw/zinc/32/88/58/967328858.db2.gz	UYCZAKDBXFXPCS-KGLIPLIRSA-N	1	0	367.371	1.883	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]32)nc1	ZINC001189843794	967343499	/nfs/dbraw/zinc/34/34/99/967343499.db2.gz	LFQTUCDIDOKPQM-NLWGTHIKSA-N	1	0	371.481	1.243	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NCc1ccc(C(=O)N2CCCCC2)cc1	ZINC000852805869	967620375	/nfs/dbraw/zinc/62/03/75/967620375.db2.gz	AKFSPUDCDGSSMD-UHFFFAOYSA-N	1	0	353.466	1.932	20	30		FDEDRO
COc1ccc(C(=O)N2CCCC2)cc1NC(=O)C#CC1CC[NH2+]CC1	ZINC000852822729	967634377	/nfs/dbraw/zinc/63/43/77/967634377.db2.gz	UJRUVJKCDBLUBD-UHFFFAOYSA-N	1	0	355.438	1.873	20	30		FDEDRO
N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cc(-c2ccc(Br)cc2)no1	ZINC000852827327	967638781	/nfs/dbraw/zinc/63/87/81/967638781.db2.gz	GMTNRKGCZFBYLN-GXFFZTMASA-N	1	0	361.199	1.945	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC1CCCC1	ZINC001110424016	967650125	/nfs/dbraw/zinc/65/01/25/967650125.db2.gz	FMRYAUZSVGEFOB-KURKYZTESA-N	1	0	363.502	1.750	20	30		FDEDRO
CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)C#CC2CC[NH2+]CC2)C1	ZINC000852848622	967654472	/nfs/dbraw/zinc/65/44/72/967654472.db2.gz	OIHCYWKFZPPTHL-HNNXBMFYSA-N	1	0	373.419	1.639	20	30		FDEDRO
CC[C@@H]1Oc2cc([C@@H](C)NC(=O)C#CC3CC[NH2+]CC3)ccc2NC1=O	ZINC000852848311	967654522	/nfs/dbraw/zinc/65/45/22/967654522.db2.gz	GYNPNTMPPPQXSK-DYVFJYSZSA-N	1	0	355.438	1.976	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N[C@H]1CCN(c2ccccc2OC(F)F)C1	ZINC000852867238	967673843	/nfs/dbraw/zinc/67/38/43/967673843.db2.gz	RNTQZYCFWGHDCP-HNNXBMFYSA-N	1	0	363.408	1.986	20	30		FDEDRO
N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cnn(-c2ccccc2)c1Br	ZINC000852875865	967681439	/nfs/dbraw/zinc/68/14/39/967681439.db2.gz	RYAZZMGKJXAKHC-GWCFXTLKSA-N	1	0	360.215	1.476	20	30		FDEDRO
N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cnn(-c2ccccc2)c1Br	ZINC000852875866	967681573	/nfs/dbraw/zinc/68/15/73/967681573.db2.gz	RYAZZMGKJXAKHC-GXFFZTMASA-N	1	0	360.215	1.476	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(C(=O)NC)c3)[C@@H]2C1	ZINC001190240660	967688217	/nfs/dbraw/zinc/68/82/17/967688217.db2.gz	MSAJJJJSLYSFTA-ZWKOTPCHSA-N	1	0	357.454	1.395	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O	ZINC000852889345	967692401	/nfs/dbraw/zinc/69/24/01/967692401.db2.gz	NCMPHKARAPHSFX-MRXNPFEDSA-N	1	0	363.820	1.704	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1	ZINC000852905953	967698004	/nfs/dbraw/zinc/69/80/04/967698004.db2.gz	JJJVGBSNGSZSDC-WZHXCRBMSA-N	1	0	368.437	1.165	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1	ZINC000852905952	967698115	/nfs/dbraw/zinc/69/81/15/967698115.db2.gz	JJJVGBSNGSZSDC-KZLHXAFESA-N	1	0	368.437	1.165	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO[C@@H]1CCOC1	ZINC001110425072	967744843	/nfs/dbraw/zinc/74/48/43/967744843.db2.gz	FJGWKIQGNVNTBI-MKXGPGLRSA-N	1	0	366.502	1.886	20	30		FDEDRO
C#CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)C(=O)N1CCN(C(=O)OCC)CC1	ZINC000853076141	967811681	/nfs/dbraw/zinc/81/16/81/967811681.db2.gz	IBZPKRILUYMXDB-MJGOQNOKSA-N	1	0	371.481	1.900	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]21	ZINC001190440834	967852910	/nfs/dbraw/zinc/85/29/10/967852910.db2.gz	LSDPRPKXCMCLRE-IXDOHACOSA-N	1	0	351.491	1.367	20	30		FDEDRO
C[C@H](C(=O)O[C@@H](C[NH+](C)C)c1cc(F)c(F)c(F)c1)n1cnc(C#N)n1	ZINC000853214915	967922204	/nfs/dbraw/zinc/92/22/04/967922204.db2.gz	PAKLQYVZUXXSRJ-RNCFNFMXSA-N	1	0	367.331	1.974	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)c3c(C)nn(C)c3C)[C@@H]2C1	ZINC001190494336	967929780	/nfs/dbraw/zinc/92/97/80/967929780.db2.gz	JVTBTZUPAJTKNV-FHLIZLRMSA-N	1	0	358.486	1.323	20	30		FDEDRO
C[NH+](C)CCCNC(=S)NN=Cc1ccc(Br)cc1O	ZINC000853305557	967963804	/nfs/dbraw/zinc/96/38/04/967963804.db2.gz	GCOQVLXUFLDHOY-UHFFFAOYSA-N	1	0	359.293	1.904	20	30		FDEDRO
O=c1nc(N=NCC2CC[NH+](Cc3ccccc3)CC2)nc2[nH][nH]cc1-2	ZINC000853305312	967963958	/nfs/dbraw/zinc/96/39/58/967963958.db2.gz	WGXYLKPXISVUOV-UHFFFAOYSA-N	1	0	351.414	1.742	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N(C)CC1CC1	ZINC001110666192	968006805	/nfs/dbraw/zinc/00/68/05/968006805.db2.gz	BTAWOYPGOOEAFW-KURKYZTESA-N	1	0	370.497	1.878	20	30		FDEDRO
N#Cc1ccc(F)c(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CCOCC3)C2)c1	ZINC001190678010	968026641	/nfs/dbraw/zinc/02/66/41/968026641.db2.gz	XWCWBTDQHHQLKH-OAHLLOKOSA-N	1	0	367.446	1.477	20	30		FDEDRO
C=CCC1(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC1	ZINC001190836308	968116976	/nfs/dbraw/zinc/11/69/76/968116976.db2.gz	PQLYYYHHKFGMBD-MSOLQXFVSA-N	1	0	364.511	1.898	20	30		FDEDRO
C=CCSCCNC(=O)N1CCN(C)C[C@@H]1CNC(=O)OC(C)(C)C	ZINC000775422018	968174812	/nfs/dbraw/zinc/17/48/12/968174812.db2.gz	JZTKAPJNASZKLP-AWEZNQCLSA-N	1	0	372.535	1.756	20	30		FDEDRO
C#Cc1ccccc1C(=O)N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1	ZINC001191107457	968277669	/nfs/dbraw/zinc/27/76/69/968277669.db2.gz	OPNOPHCNBSJXND-UHFFFAOYSA-N	1	0	363.465	1.268	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1	ZINC000853988693	968502371	/nfs/dbraw/zinc/50/23/71/968502371.db2.gz	BODXCMBMTVGAQB-QLFBSQMISA-N	1	0	365.478	1.529	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1	ZINC000853995147	968510222	/nfs/dbraw/zinc/51/02/22/968510222.db2.gz	IUBWWNGDFQPNTD-QGZVFWFLSA-N	1	0	369.465	1.875	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1	ZINC000853995932	968511375	/nfs/dbraw/zinc/51/13/75/968511375.db2.gz	SKAXOGHRMKRRAN-KRWDZBQOSA-N	1	0	369.465	1.875	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1CN([C@@H](C)C(=O)N2CCCc3ccccc32)C[C@H]1O	ZINC001191644961	968684825	/nfs/dbraw/zinc/68/48/25/968684825.db2.gz	BVEGVFDQSYHMRO-KVSKMBFKSA-N	1	0	371.481	1.482	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1CN(C[C@H](O)COc2ccccc2Cl)C[C@H]1O	ZINC001191644910	968685009	/nfs/dbraw/zinc/68/50/09/968685009.db2.gz	AOQBPUNEFCWIHS-NUEKZKHPSA-N	1	0	368.861	1.207	20	30		FDEDRO
CSC[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@H]1O	ZINC001191814047	968764743	/nfs/dbraw/zinc/76/47/43/968764743.db2.gz	BSSUQMWLOXJCFX-HFBAOOFYSA-N	1	0	351.447	1.358	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cnn3c1CCCC3)C2	ZINC001110684300	968877207	/nfs/dbraw/zinc/87/72/07/968877207.db2.gz	DSFJZOZBIJXIJR-LMMKCTJWSA-N	1	0	358.486	1.686	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@H]([NH+](C)C)C2)nc1	ZINC000854632635	969036641	/nfs/dbraw/zinc/03/66/41/969036641.db2.gz	OLUAINGJETUGEC-WMZOPIPTSA-N	1	0	356.470	1.370	20	30		FDEDRO
Cc1ncc(C(=O)N(c2ncnc3c2CC[NH2+]CC3)C(C)C)cc1C#N	ZINC001192285527	969043867	/nfs/dbraw/zinc/04/38/67/969043867.db2.gz	PZNWNXRGSSBBJP-UHFFFAOYSA-N	1	0	350.426	1.795	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(C(=O)c3cnc(C)c(C#N)c3)CC[C@@H]2C1	ZINC001192285129	969044146	/nfs/dbraw/zinc/04/41/46/969044146.db2.gz	KVQIDROMEUTRNC-CRAIPNDOSA-N	1	0	358.442	1.071	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCCCOc3ccccc3)C[C@H]2O)c[nH]1	ZINC001192298488	969051068	/nfs/dbraw/zinc/05/10/68/969051068.db2.gz	RLTJMRITTUYLNC-RTBURBONSA-N	1	0	368.437	1.520	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)CCc2ccccc2)C[C@H]1O	ZINC001192321220	969061750	/nfs/dbraw/zinc/06/17/50/969061750.db2.gz	TWYJOWWYPXVFRQ-XUVXKRRUSA-N	1	0	358.482	1.335	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CCCN2CCCC2=O)C1	ZINC001192794583	969302040	/nfs/dbraw/zinc/30/20/40/969302040.db2.gz	LUZQQQUEDILAFW-LNLFQRSKSA-N	1	0	363.502	1.513	20	30		FDEDRO
N#CCS(=O)(=O)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1	ZINC001192959302	969376711	/nfs/dbraw/zinc/37/67/11/969376711.db2.gz	XDLRTTRAYSLJBB-OAHLLOKOSA-N	1	0	370.425	1.468	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1O	ZINC001193240173	969568418	/nfs/dbraw/zinc/56/84/18/969568418.db2.gz	AWRYJHPMDKMOQN-QZTJIDSGSA-N	1	0	361.490	1.378	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)nn2C)C1	ZINC001193247957	969576562	/nfs/dbraw/zinc/57/65/62/969576562.db2.gz	SZTKHPSVBBZVHM-NQBHXWOUSA-N	1	0	360.380	1.569	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O	ZINC001193312897	969654014	/nfs/dbraw/zinc/65/40/14/969654014.db2.gz	QVPLCEOQPNUECK-BZUAXINKSA-N	1	0	358.910	1.868	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1	ZINC001193455949	969719352	/nfs/dbraw/zinc/71/93/52/969719352.db2.gz	ITYWQZSYDKSHME-KZNAEPCWSA-N	1	0	365.518	1.399	20	30		FDEDRO
COc1ccc(C#N)c(S(=O)(=O)N[C@H](C)C[NH+]2CCC(C)CC2)c1	ZINC001193698164	969826929	/nfs/dbraw/zinc/82/69/29/969826929.db2.gz	RGUITXYEULASTH-CQSZACIVSA-N	1	0	351.472	1.966	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3CC)C[C@H]2O)CCOCC1	ZINC001193718468	969840665	/nfs/dbraw/zinc/84/06/65/969840665.db2.gz	GEBFWOPUPNJYQA-WOJBJXKFSA-N	1	0	370.493	1.730	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)[nH]c(C3CC3)n2)C1	ZINC001193977875	969944536	/nfs/dbraw/zinc/94/45/36/969944536.db2.gz	CLMRYFYWJREORF-HZPDHXFCSA-N	1	0	360.458	1.581	20	30		FDEDRO
Cn1c(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c[nH]c1=S	ZINC001194256081	970077936	/nfs/dbraw/zinc/07/79/36/970077936.db2.gz	CZXXWGCZHLHYLD-UHFFFAOYSA-N	1	0	355.467	1.997	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3cc(C)sc3n2)C1	ZINC001194408602	970160907	/nfs/dbraw/zinc/16/09/07/970160907.db2.gz	LOUDFJVVJRMMKH-DAXOMENPSA-N	1	0	362.499	1.763	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3n(n2)CCCO3)C1	ZINC001194583921	970261976	/nfs/dbraw/zinc/26/19/76/970261976.db2.gz	JZWICDHXKVJVTK-HZPDHXFCSA-N	1	0	350.463	1.411	20	30		FDEDRO
C#CCOc1ccc(C[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)cc1	ZINC000113323347	970370582	/nfs/dbraw/zinc/37/05/82/970370582.db2.gz	RBRIEOQRUSSQRB-UHFFFAOYSA-N	1	0	351.406	1.204	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N(CC)[C@@H]2CC[N@H+](CC)C2)cc1	ZINC000855490707	970412973	/nfs/dbraw/zinc/41/29/73/970412973.db2.gz	PBWSNKZMHJOLPW-MRXNPFEDSA-N	1	0	363.483	1.154	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc2cc[nH]c2c1	ZINC001110465748	970661854	/nfs/dbraw/zinc/66/18/54/970661854.db2.gz	RFYAWCBOHYVIAP-QRQLOZEOSA-N	1	0	364.449	1.529	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1cccc(F)c1	ZINC001110466155	970715329	/nfs/dbraw/zinc/71/53/29/970715329.db2.gz	HKTJLQNVAAFBFZ-PILAGYSTSA-N	1	0	357.429	1.748	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N[C@@H]1CN(Cc2cc(C#N)ccc2F)C[C@H]1O	ZINC001197948996	972588436	/nfs/dbraw/zinc/58/84/36/972588436.db2.gz	OZIDYMQQJPTLRK-QZTJIDSGSA-N	1	0	362.449	1.091	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1	ZINC000119421495	972847024	/nfs/dbraw/zinc/84/70/24/972847024.db2.gz	VZAFCMXADDKNSV-CRAIPNDOSA-N	1	0	370.453	1.384	20	30		FDEDRO
CC(=O)N(C)c1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1	ZINC000863573683	973026753	/nfs/dbraw/zinc/02/67/53/973026753.db2.gz	RHRPCJHBBAIOOM-UHFFFAOYSA-N	1	0	372.450	1.499	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC000958029054	1014090348	/nfs/dbraw/zinc/09/03/48/1014090348.db2.gz	DPVKRRUAEZOROW-XJIUQZFPSA-N	1	0	357.458	1.193	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)nc[nH]c3=O)C1	ZINC001198681248	973405948	/nfs/dbraw/zinc/40/59/48/973405948.db2.gz	YKSMFDAOPCDFFU-CSMYWGQOSA-N	1	0	356.426	1.465	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)N2CCCC2=O)C1	ZINC001198833736	973528100	/nfs/dbraw/zinc/52/81/00/973528100.db2.gz	DRIRAGBQDSCPBE-IXDOHACOSA-N	1	0	353.507	1.519	20	30		FDEDRO
C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)c1ccccc1OC	ZINC001198902899	973633613	/nfs/dbraw/zinc/63/36/13/973633613.db2.gz	RGBMVSCFKHIHOE-HLLBOEOZSA-N	1	0	359.470	1.920	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2OCCOC)C1	ZINC001199071085	973890159	/nfs/dbraw/zinc/89/01/59/973890159.db2.gz	HWXGAJLEWCTWJV-DJIMGWMZSA-N	1	0	363.458	1.236	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)N=[S@](C)(=O)c1ccccc1F	ZINC000867311193	974150385	/nfs/dbraw/zinc/15/03/85/974150385.db2.gz	IZDOTZFVYBPBAH-JOCHJYFZSA-N	1	0	361.464	1.072	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1O	ZINC001199312457	974153044	/nfs/dbraw/zinc/15/30/44/974153044.db2.gz	GBCMDVQWTUIVAP-RTBURBONSA-N	1	0	370.453	1.126	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1O	ZINC001199331593	974198620	/nfs/dbraw/zinc/19/86/20/974198620.db2.gz	QHKYYJYLMLAAHV-ATZDWAIDSA-N	1	0	370.453	1.125	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CC[N@@H+](CCc3ccc(S(N)(=O)=O)cc3)C2)nc1	ZINC000794833815	974200879	/nfs/dbraw/zinc/20/08/79/974200879.db2.gz	RPUILXGXQQELQO-MRXNPFEDSA-N	1	0	372.450	1.296	20	30		FDEDRO
C=C(Cl)C[C@@H]1NC(=O)N(C2CC[NH+](C3CCN(C)CC3)CC2)C1=O	ZINC000865301427	974219999	/nfs/dbraw/zinc/21/99/99/974219999.db2.gz	LVYDICIRIZXSCV-HNNXBMFYSA-N	1	0	354.882	1.608	20	30		FDEDRO
COCCn1ccnc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC001199410475	974266398	/nfs/dbraw/zinc/26/63/98/974266398.db2.gz	XUENFZLIZHMKKZ-UHFFFAOYSA-N	1	0	367.453	1.818	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2	ZINC000865429854	974292571	/nfs/dbraw/zinc/29/25/71/974292571.db2.gz	IFBHLNPLLHLHCE-MRXNPFEDSA-N	1	0	369.421	1.882	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC(c3cccc(F)c3)C2)C1	ZINC001199480887	974316740	/nfs/dbraw/zinc/31/67/40/974316740.db2.gz	YLCRMLJKXJHTGH-LRMJVLKBSA-N	1	0	362.445	1.683	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1	ZINC000865486702	974322860	/nfs/dbraw/zinc/32/28/60/974322860.db2.gz	BQJUSQYNILYALT-UHFFFAOYSA-N	1	0	362.499	1.670	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]C[C@@H]1CCCC[C@@H]1NS(C)(=O)=O	ZINC000865565149	974363509	/nfs/dbraw/zinc/36/35/09/974363509.db2.gz	LMVSJRJYLXEADQ-RDJZCZTQSA-N	1	0	364.515	1.822	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+][C@H]1CCN(c2ccc3nncn3n2)C1	ZINC000865640531	974397277	/nfs/dbraw/zinc/39/72/77/974397277.db2.gz	LHHJCOJATGEAPT-INIZCTEOSA-N	1	0	362.441	1.430	20	30		FDEDRO
CC(C)(O)CN1CC[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000865660276	974409187	/nfs/dbraw/zinc/40/91/87/974409187.db2.gz	RSHNLCPPEFOCST-FQEVSTJZSA-N	1	0	356.514	1.957	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COc1ccccc1	ZINC001110540273	974460260	/nfs/dbraw/zinc/46/02/60/974460260.db2.gz	LFHQGXOLCSPLFM-BWPNAZKDSA-N	1	0	354.450	1.561	20	30		FDEDRO
COCC[N@H+](C)CCN1C[C@@H](Nc2snc(Cl)c2C#N)CC1=O	ZINC000865887085	974549616	/nfs/dbraw/zinc/54/96/16/974549616.db2.gz	QOKFRJOLKLBFLS-JTQLQIEISA-N	1	0	357.867	1.259	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOc1ccc(OC)cc1	ZINC001110552252	974755554	/nfs/dbraw/zinc/75/55/54/974755554.db2.gz	SDNJNSPAGKBUAE-SMOSDQRPSA-N	1	0	372.465	1.834	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N(CCC)CCC	ZINC001110553553	974773814	/nfs/dbraw/zinc/77/38/14/974773814.db2.gz	WISYAQRDWCPZQB-KURKYZTESA-N	1	0	363.502	1.396	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=S)NCC[NH+]3CCCCC3)CC2)c1	ZINC001200426752	974783891	/nfs/dbraw/zinc/78/38/91/974783891.db2.gz	SRVRHFLHFUBBNJ-UHFFFAOYSA-N	1	0	358.515	1.436	20	30		FDEDRO
CNC(=O)c1cc(C#N)cc(C)c1NC(=S)NCC[NH+]1CCCCC1	ZINC001200432981	974788256	/nfs/dbraw/zinc/78/82/56/974788256.db2.gz	HRTUQGUCJIJBKR-UHFFFAOYSA-N	1	0	359.499	1.999	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCOCC(C)C)C1	ZINC001200528712	974807465	/nfs/dbraw/zinc/80/74/65/974807465.db2.gz	MYRBTDBAVFAVNF-QRVBRYPASA-N	1	0	368.518	1.847	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)CCCO1	ZINC001200711729	974878126	/nfs/dbraw/zinc/87/81/26/974878126.db2.gz	AJTDFQSDTMOOBX-BZSNNMDCSA-N	1	0	354.491	1.744	20	30		FDEDRO
C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@]23CCOc2ccccc23)CCCO1	ZINC001200967647	974939068	/nfs/dbraw/zinc/93/90/68/974939068.db2.gz	VVPLHLQMVVMEBB-JLMWRMLUSA-N	1	0	368.477	1.957	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCC2CCOCC2)C1	ZINC001201438117	975060304	/nfs/dbraw/zinc/06/03/04/975060304.db2.gz	KAPRDVPQODKOTN-OTWHNJEPSA-N	1	0	366.502	1.601	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCOCC(C)C)C1	ZINC001201437910	975060676	/nfs/dbraw/zinc/06/06/76/975060676.db2.gz	IKUSRCTXYAYFSV-KSZLIROESA-N	1	0	354.491	1.457	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)CCCO1	ZINC001201613030	975098593	/nfs/dbraw/zinc/09/85/93/975098593.db2.gz	VXSAJMVFGNLELN-KZNAEPCWSA-N	1	0	362.474	1.071	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CCCOC(C)C)C1	ZINC001201622016	975100861	/nfs/dbraw/zinc/10/08/61/975100861.db2.gz	SGAIAKMQECBGPL-QYZOEREBSA-N	1	0	368.518	1.990	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCOC(C)C)C1	ZINC001201622202	975100893	/nfs/dbraw/zinc/10/08/93/975100893.db2.gz	TVIOMJKNPJXCPH-BZSNNMDCSA-N	1	0	354.491	1.600	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@]23C[C@H]2CCC3)CC1	ZINC001201730779	975148450	/nfs/dbraw/zinc/14/84/50/975148450.db2.gz	WRPMJYYWLHKQSQ-IQUTYRLHSA-N	1	0	362.474	1.158	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc([C@]3(C)NC(=O)N(C)C3=O)cc2)CC1	ZINC000847163923	975349740	/nfs/dbraw/zinc/34/97/40/975349740.db2.gz	CMYDFRACGJKRGE-FQEVSTJZSA-N	1	0	368.437	1.367	20	30		FDEDRO
CCC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1	ZINC001110587671	975536363	/nfs/dbraw/zinc/53/63/63/975536363.db2.gz	VOTDRQASRHKWTP-PILAGYSTSA-N	1	0	354.454	1.694	20	30		FDEDRO
C#C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)C1	ZINC000847564105	975834459	/nfs/dbraw/zinc/83/44/59/975834459.db2.gz	PLQDJOVELVFUIM-AWEZNQCLSA-N	1	0	361.417	1.576	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000847608342	975904443	/nfs/dbraw/zinc/90/44/43/975904443.db2.gz	TWBHCLINCFMLTP-DOTOQJQBSA-N	1	0	373.428	1.909	20	30		FDEDRO
C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC[C@@H]1CC[N@H+](C)C1	ZINC000847823163	976069331	/nfs/dbraw/zinc/06/93/31/976069331.db2.gz	DDHUPHCVTRFELN-HIFRSBDPSA-N	1	0	365.455	1.110	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)OCC[C@@H]2CC[N@@H+](C)C2)c1	ZINC000847825922	976071823	/nfs/dbraw/zinc/07/18/23/976071823.db2.gz	WTPXWUSEOAAHPE-AWEZNQCLSA-N	1	0	350.440	1.097	20	30		FDEDRO
C#CCCN(CC(F)(F)F)C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C	ZINC000867450499	976162878	/nfs/dbraw/zinc/16/28/78/976162878.db2.gz	KQXXXQRFRGGLRJ-LBPRGKRZSA-N	1	0	365.396	1.856	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)c1C#N	ZINC000848370847	976698639	/nfs/dbraw/zinc/69/86/39/976698639.db2.gz	LESMCCKDCRPDCL-NSHDSACASA-N	1	0	364.450	1.627	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCCOC	ZINC001110601434	976714767	/nfs/dbraw/zinc/71/47/67/976714767.db2.gz	YRZLWPTZFCYDOM-QXSJWSMHSA-N	1	0	374.909	1.511	20	30		FDEDRO
CS(=O)(=O)CCOc1cccc(NC(=O)[C@H]([NH3+])CCCCC#N)c1	ZINC000848399177	976718303	/nfs/dbraw/zinc/71/83/03/976718303.db2.gz	NTQCPDGVYDJCGW-OAHLLOKOSA-N	1	0	353.444	1.460	20	30		FDEDRO
COc1ccc(N2CCN(CCNC(=O)[C@@H]([NH3+])CCCCC#N)CC2)cc1	ZINC000848414974	976723288	/nfs/dbraw/zinc/72/32/88/976723288.db2.gz	GSJGDOFUVZXGHM-IBGZPJMESA-N	1	0	373.501	1.345	20	30		FDEDRO
C[NH+]1CCN(C2CCN(S(=O)(=O)c3ccc(C#N)cc3F)CC2)CC1	ZINC000867817949	976933698	/nfs/dbraw/zinc/93/36/98/976933698.db2.gz	YEGDSAVMKQQHNT-UHFFFAOYSA-N	1	0	366.462	1.098	20	30		FDEDRO
COC(=O)Cc1ccccc1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000848676246	976992463	/nfs/dbraw/zinc/99/24/63/976992463.db2.gz	PKYKBWHSLDTUTI-UHFFFAOYSA-N	1	0	373.434	1.232	20	30		FDEDRO
Cc1noc(C2CCN(C(=O)[C@H]3[NH2+]CCc4cc(C#N)ccc43)CC2)n1	ZINC000867941539	977120151	/nfs/dbraw/zinc/12/01/51/977120151.db2.gz	HWTIUTRLHBBGFJ-KRWDZBQOSA-N	1	0	351.410	1.843	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1	ZINC000867952189	977132816	/nfs/dbraw/zinc/13/28/16/977132816.db2.gz	VPOIRSRXXXOWOE-JXFKEZNVSA-N	1	0	360.417	1.667	20	30		FDEDRO
CN(C)C(=O)c1cccc(CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)c1	ZINC000867957255	977140575	/nfs/dbraw/zinc/14/05/75/977140575.db2.gz	HEXPOQVFDDVUAA-LJQANCHMSA-N	1	0	362.433	1.763	20	30		FDEDRO
Cc1ccc(CN2CCO[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C2)cc1	ZINC000867997958	977181528	/nfs/dbraw/zinc/18/15/28/977181528.db2.gz	MYPKDYWBWBOFLY-OALUTQOASA-N	1	0	358.486	1.723	20	30		FDEDRO
C[C@@H]1C[NH+](CCCNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C[C@@H](C)O1	ZINC000868022171	977208782	/nfs/dbraw/zinc/20/87/82/977208782.db2.gz	AKJQHQXULVKKOF-CLCXKQKWSA-N	1	0	356.470	1.824	20	30		FDEDRO
CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)CC1	ZINC000848936712	977260712	/nfs/dbraw/zinc/26/07/12/977260712.db2.gz	GHJXAVMZVDNJMQ-UHFFFAOYSA-N	1	0	372.469	1.516	20	30		FDEDRO
C[NH+]=C(NCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1)NC1CC1	ZINC000849076690	977305443	/nfs/dbraw/zinc/30/54/43/977305443.db2.gz	NBZJSAMFDPSNCE-UHFFFAOYSA-N	1	0	374.485	1.696	20	30		FDEDRO
C=CCNC(=[NH2+])NC[C@@H](CO)Cc1ccc(OC)c(Br)c1	ZINC000849109897	977320250	/nfs/dbraw/zinc/32/02/50/977320250.db2.gz	KUMPUDZRJMIKDQ-LBPRGKRZSA-N	1	0	356.264	1.909	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCC1(c2c(F)cccc2F)CCC1	ZINC000849116377	977328766	/nfs/dbraw/zinc/32/87/66/977328766.db2.gz	OJQSKXKSOFKKRF-UHFFFAOYSA-N	1	0	366.456	1.884	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1C#N	ZINC000868246265	977386132	/nfs/dbraw/zinc/38/61/32/977386132.db2.gz	KKBYWTZXAVIZJP-UHFFFAOYSA-N	1	0	356.426	1.496	20	30		FDEDRO
C#CCn1cc(CNC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cn1	ZINC000849590204	977796229	/nfs/dbraw/zinc/79/62/29/977796229.db2.gz	XTDANIKIDMTUJT-OALUTQOASA-N	1	0	368.485	1.380	20	30		FDEDRO
COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000850443251	978373996	/nfs/dbraw/zinc/37/39/96/978373996.db2.gz	PSSZAXPSXWRQBU-QZAQEVDKSA-N	1	0	360.370	1.780	20	30		FDEDRO
C#CCCN(CCOC)C(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1	ZINC000850712152	978638776	/nfs/dbraw/zinc/63/87/76/978638776.db2.gz	JOUOFWAGFMWQRN-IBGZPJMESA-N	1	0	371.481	1.218	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1CN(C(=O)[C@@H](CC)[NH+](C)C)C1	ZINC000968000586	1014536992	/nfs/dbraw/zinc/53/69/92/1014536992.db2.gz	ICWPIBDXYHHMIJ-BBWFWOEESA-N	1	0	351.491	1.367	20	30		FDEDRO
C#Cc1ccc(CNC(=O)NC2CCN(C(=O)CCC[NH2+]C)CC2)cc1	ZINC000851661082	978988010	/nfs/dbraw/zinc/98/80/10/978988010.db2.gz	DWSIIGIWHKLVKF-UHFFFAOYSA-N	1	0	356.470	1.458	20	30		FDEDRO
C#Cc1cccc(CNC(=O)NC2CCN(C(=O)CCC[NH2+]C)CC2)c1	ZINC000851662357	978988615	/nfs/dbraw/zinc/98/86/15/978988615.db2.gz	XCZSWXQLUZYETM-UHFFFAOYSA-N	1	0	356.470	1.458	20	30		FDEDRO
C#CCNS(=O)(=O)N1CC[NH+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1	ZINC000851873214	979140141	/nfs/dbraw/zinc/14/01/41/979140141.db2.gz	STVVWJYRRJJLDB-IEBWSBKVSA-N	1	0	361.511	1.656	20	30		FDEDRO
COc1cccc2c1CC[C@]2(CO)[NH2+]C[C@@H](O)COc1ccccc1C#N	ZINC000880382179	979145800	/nfs/dbraw/zinc/14/58/00/979145800.db2.gz	MAYWJKVRMNUJHY-IIBYNOLFSA-N	1	0	368.433	1.730	20	30		FDEDRO
CC(C)(C)OCCC[NH+]1CCN(CC(=O)NCc2ccc(C#N)cc2)CC1	ZINC000880412215	979171710	/nfs/dbraw/zinc/17/17/10/979171710.db2.gz	OVESTOSBLPEFHO-UHFFFAOYSA-N	1	0	372.513	1.997	20	30		FDEDRO
C#C[C@H](NC(=O)NCc1cccnc1N1CC[NH+](C)CC1)C1CCOCC1	ZINC000852017031	979277046	/nfs/dbraw/zinc/27/70/46/979277046.db2.gz	RAQYUEYDUDDSTL-SFHVURJKSA-N	1	0	371.485	1.061	20	30		FDEDRO
CCOP(=O)(OCC)[C@H](O)C[NH+]1CCN(c2cnccc2C#N)CC1	ZINC000852076507	979331303	/nfs/dbraw/zinc/33/13/03/979331303.db2.gz	ISPXMNHMBRITQN-INIZCTEOSA-N	1	0	368.374	1.660	20	30		FDEDRO
C#C[C@@](C)(CC)[NH2+]CC(=O)Nc1sc(C(N)=O)c(C)c1C(=O)OCC	ZINC000852100151	979349900	/nfs/dbraw/zinc/34/99/00/979349900.db2.gz	FSFWEDJSDBSEMZ-KRWDZBQOSA-N	1	0	365.455	1.662	20	30		FDEDRO
C#C[C@@](C)(CC)[NH2+]CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1	ZINC000852099991	979350029	/nfs/dbraw/zinc/35/00/29/979350029.db2.gz	FHSKKBPWQDCPGE-KRWDZBQOSA-N	1	0	351.472	1.575	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCn3ncc(Br)c3C2)CC1	ZINC000852127862	979371080	/nfs/dbraw/zinc/37/10/80/979371080.db2.gz	WYPRBKANKFYPER-UHFFFAOYSA-N	1	0	368.279	1.821	20	30		FDEDRO
COc1ccc(NC(=O)N2CCC([NH+]3CCN(C)CC3)CC2)cc1C#N	ZINC000880882731	979510412	/nfs/dbraw/zinc/51/04/12/979510412.db2.gz	HVAQJDDYCGAJER-UHFFFAOYSA-N	1	0	357.458	1.811	20	30		FDEDRO
CC[N@H+](CCO)CCNC(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F	ZINC000880929325	979531343	/nfs/dbraw/zinc/53/13/43/979531343.db2.gz	HDECLZBMAMRCBB-AWEZNQCLSA-N	1	0	358.364	1.775	20	30		FDEDRO
CN1c2ccccc2C(C)(C)/C1=C\C(=O)Cn1cc(C[C@H]([NH3+])CO)nn1	ZINC000880983854	979561979	/nfs/dbraw/zinc/56/19/79/979561979.db2.gz	RGUFPGNIYKXUCU-VVSAQIQQSA-N	1	0	355.442	1.021	20	30		FDEDRO
C#C[C@H]1COCCN1C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000881128767	979700964	/nfs/dbraw/zinc/70/09/64/979700964.db2.gz	ZWHFHPJOAREQHK-HKUYNNGSSA-N	1	0	354.454	1.837	20	30		FDEDRO
N#CCOc1ccc(Cl)cc1Cn1cc(CCN2CCC([NH3+])CC2)nn1	ZINC000881302638	979820802	/nfs/dbraw/zinc/82/08/02/979820802.db2.gz	FIBLZHKZBBHPHM-UHFFFAOYSA-N	1	0	374.876	1.848	20	30		FDEDRO
CCn1c(CC[NH3+])nnc1Sc1ncc(C#N)cc1Br	ZINC000882050381	980393107	/nfs/dbraw/zinc/39/31/07/980393107.db2.gz	VYYJGHIEIUIUFZ-UHFFFAOYSA-N	1	0	353.249	1.980	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000968145877	1014695448	/nfs/dbraw/zinc/69/54/48/1014695448.db2.gz	NFGKMCVRTNWBQB-MSOLQXFVSA-N	1	0	368.437	1.598	20	30		FDEDRO
C=CCOc1c(Cl)cc(C[NH2+]CCS(=O)(=O)NCC)cc1OC	ZINC000858132993	981850399	/nfs/dbraw/zinc/85/03/99/981850399.db2.gz	NSMAIXOLXSDNAA-UHFFFAOYSA-N	1	0	362.879	1.942	20	30		FDEDRO
C[C@H](CN1CCOCC1)NC(=O)Nc1ccc(Br)c(C#N)n1	ZINC000883078856	981927020	/nfs/dbraw/zinc/92/70/20/981927020.db2.gz	DXJNBHXYYOOZMU-SNVBAGLBSA-N	1	0	368.235	1.558	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@@]2(O)CCc3ccccc32)CC1	ZINC000130935369	981930476	/nfs/dbraw/zinc/93/04/76/981930476.db2.gz	WHBFAYNVCLFMED-FQEVSTJZSA-N	1	0	374.485	1.688	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)cc1	ZINC000858243039	981937573	/nfs/dbraw/zinc/93/75/73/981937573.db2.gz	AJFFXJBNDRLKRF-HOCLYGCPSA-N	1	0	363.425	1.784	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1ncc(I)s1	ZINC000883111164	981953688	/nfs/dbraw/zinc/95/36/88/981953688.db2.gz	VNRQPLJYFKUIPH-UHFFFAOYSA-N	1	0	363.224	1.433	20	30		FDEDRO
C#CC[C@H](CO)[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC	ZINC000883125185	981965528	/nfs/dbraw/zinc/96/55/28/981965528.db2.gz	BEBLLTQYLKZKJK-SMDDNHRTSA-N	1	0	369.259	1.436	20	30		FDEDRO
C=CCC[C@@H](COc1ccccc1)[NH2+]CC1(O)CCS(=O)(=O)CC1	ZINC000883191382	982006576	/nfs/dbraw/zinc/00/65/76/982006576.db2.gz	AAXDNLKRGBTAQZ-INIZCTEOSA-N	1	0	353.484	1.930	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000858394082	982026093	/nfs/dbraw/zinc/02/60/93/982026093.db2.gz	FWJKDGDSCGMFJQ-MOPGFXCFSA-N	1	0	359.470	1.615	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(-n3ccnc3)n1)C2	ZINC001110748685	982100927	/nfs/dbraw/zinc/10/09/27/982100927.db2.gz	OFJREWLKCGHGQQ-NXHRZFHOSA-N	1	0	367.453	1.805	20	30		FDEDRO
CC[N@@H+]1CC[C@H]1CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000883600861	982297559	/nfs/dbraw/zinc/29/75/59/982297559.db2.gz	LCEWWZFLJAIXLD-DLBZAZTESA-N	1	0	355.442	1.447	20	30		FDEDRO
C#Cc1cccc(CNC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)c1	ZINC000883684185	982374740	/nfs/dbraw/zinc/37/47/40/982374740.db2.gz	ZHZLIPONYABQQS-FQEVSTJZSA-N	1	0	370.497	1.264	20	30		FDEDRO
C#C[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CCOCC1	ZINC000883780335	982465162	/nfs/dbraw/zinc/46/51/62/982465162.db2.gz	OMGAFCRQMDCKIW-HXUWFJFHSA-N	1	0	370.497	1.666	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCC([NH2+]C3CCOCC3)CC1)C2	ZINC000883805470	982484326	/nfs/dbraw/zinc/48/43/26/982484326.db2.gz	HUQMJFDSWICZSR-HXUWFJFHSA-N	1	0	368.481	1.968	20	30		FDEDRO
N#CC1(C[C@@H](O)CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)CCOCC1	ZINC000859073200	982505184	/nfs/dbraw/zinc/50/51/84/982505184.db2.gz	GCDTZICVSUJFLW-MSOLQXFVSA-N	1	0	351.491	1.244	20	30		FDEDRO
CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000859111776	982540009	/nfs/dbraw/zinc/54/00/09/982540009.db2.gz	GEXMRWQEHLNQNJ-HZPDHXFCSA-N	1	0	367.490	1.904	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)N[C@@H](C)CCC)CC1	ZINC001202559971	982560146	/nfs/dbraw/zinc/56/01/46/982560146.db2.gz	VZNSDKLATZCANO-UAGQMJEPSA-N	1	0	351.491	1.463	20	30		FDEDRO
CN(CC(F)F)C1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1	ZINC000859196736	982612978	/nfs/dbraw/zinc/61/29/78/982612978.db2.gz	FRMNTITVBRNEOO-INIZCTEOSA-N	1	0	353.413	1.959	20	30		FDEDRO
N#CC1(C[C@@H](O)CN(CCO)Cc2cccnc2Cl)CCOCC1	ZINC000859289788	982686603	/nfs/dbraw/zinc/68/66/03/982686603.db2.gz	PMQOHAXLQRAIRG-OAHLLOKOSA-N	1	0	353.850	1.601	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)Cc1ccc(C[NH+](C)C)cc1	ZINC000800039704	982714386	/nfs/dbraw/zinc/71/43/86/982714386.db2.gz	SHXIJQBXSKTDPO-HNNXBMFYSA-N	1	0	352.504	1.906	20	30		FDEDRO
Cc1ccc(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c(OCC(=O)N(C)C)c1	ZINC000884100911	982867541	/nfs/dbraw/zinc/86/75/41/982867541.db2.gz	IXWFJKOIMPIJIV-RDYUPDBUSA-N	1	0	370.453	1.540	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@H](O)c1ccccc1C(F)(F)F)C2	ZINC000884108335	982877950	/nfs/dbraw/zinc/87/79/50/982877950.db2.gz	XZGWWXLBRRLPJN-GDTXNAFHSA-N	1	0	367.371	1.994	20	30		FDEDRO
C[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1cccc(N2CCOC2=O)c1	ZINC000884109180	982879726	/nfs/dbraw/zinc/87/97/26/982879726.db2.gz	XWOIXQFUPUMHGU-QCGWZAEESA-N	1	0	368.437	1.960	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@H+]2CC3(CCOCC3)CC[C@@H]2CO)CCOCC1	ZINC000859522072	982892446	/nfs/dbraw/zinc/89/24/46/982892446.db2.gz	MPNIOHSBUKEXAW-IAGOWNOFSA-N	1	0	352.475	1.311	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F)C2	ZINC000884119919	982901336	/nfs/dbraw/zinc/90/13/36/982901336.db2.gz	ACXDYTUUNZXEFG-IXTRTVORSA-N	1	0	367.371	1.692	20	30		FDEDRO
CSc1ccc(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1C#N	ZINC000884128226	982910098	/nfs/dbraw/zinc/91/00/98/982910098.db2.gz	XSMOHOLOOBCFRS-JKSUJKDBSA-N	1	0	360.483	1.943	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1	ZINC000884134936	982918161	/nfs/dbraw/zinc/91/81/61/982918161.db2.gz	WPSNBQRYVIVQTJ-UHFFFAOYSA-N	1	0	352.438	1.986	20	30		FDEDRO
N#CCCNC(=O)C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1	ZINC000859572737	982924101	/nfs/dbraw/zinc/92/41/01/982924101.db2.gz	SSXMSLVJHUVBDD-INIZCTEOSA-N	1	0	366.259	1.288	20	30		FDEDRO
CCOC(=O)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccccc1	ZINC000884155540	982932698	/nfs/dbraw/zinc/93/26/98/982932698.db2.gz	FDBLOWLXFOREQQ-ZEVUXNIQSA-N	1	0	355.438	1.589	20	30		FDEDRO
COC(=O)[C@H](C)[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccccc1	ZINC000884170347	982944698	/nfs/dbraw/zinc/94/46/98/982944698.db2.gz	VMKKVIYMSHBZSB-TYZOZAEZSA-N	1	0	355.438	1.792	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@H](c1ccccc1)N1CCOCC1)C2	ZINC000884191096	982967200	/nfs/dbraw/zinc/96/72/00/982967200.db2.gz	VTRSWJQOOUTJOP-XTBIFASLSA-N	1	0	368.481	1.315	20	30		FDEDRO
C[NH+](C)CCCN(C(=O)c1csc(C#N)c1)[C@@H]1CCS(=O)(=O)C1	ZINC001137204853	982991779	/nfs/dbraw/zinc/99/17/79/982991779.db2.gz	OTPPCNYRXFREIY-CYBMUJFWSA-N	1	0	355.485	1.201	20	30		FDEDRO
CCc1cnc(N2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CC2)s1	ZINC000884221416	982995629	/nfs/dbraw/zinc/99/56/29/982995629.db2.gz	RNDMHAQRCVRPTI-TXKKKEFDSA-N	1	0	359.499	1.493	20	30		FDEDRO
N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(OC(F)F)c(Br)c1	ZINC000884250590	983027098	/nfs/dbraw/zinc/02/70/98/983027098.db2.gz	JDAMBJOOIKFRRQ-PSASIEDQSA-N	1	0	360.158	1.892	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCNC[C@@H]1c1ccccc1Cl)C2	ZINC000884278248	983049080	/nfs/dbraw/zinc/04/90/80/983049080.db2.gz	HFCZYWOHPOTDMF-BOLVRDICSA-N	1	0	358.873	1.952	20	30		FDEDRO
C[C@H](c1nccs1)N1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1	ZINC000884321243	983082912	/nfs/dbraw/zinc/08/29/12/983082912.db2.gz	JOXQNMLXFVDUFB-XYSPPFBYSA-N	1	0	359.499	1.488	20	30		FDEDRO
C[C@@H](c1nccs1)N1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1	ZINC000884321241	983082936	/nfs/dbraw/zinc/08/29/36/983082936.db2.gz	JOXQNMLXFVDUFB-CQDIZWNASA-N	1	0	359.499	1.488	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1	ZINC000884325106	983086616	/nfs/dbraw/zinc/08/66/16/983086616.db2.gz	IWTCDWIXEMKRSI-PBHICJAKSA-N	1	0	360.458	1.170	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCNC(=O)CCCc1ccccc1)C2	ZINC000884368503	983118389	/nfs/dbraw/zinc/11/83/89/983118389.db2.gz	AHOCOJYFDWDTDI-IDYZSHNDSA-N	1	0	368.481	1.381	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@H+](Cc2ccccc2)CC2(O)CCCC2)CC1	ZINC000134358060	983127177	/nfs/dbraw/zinc/12/71/77/983127177.db2.gz	BUJBNQZFQCYZNW-UHFFFAOYSA-N	1	0	369.509	1.571	20	30		FDEDRO
COC(=O)[C@@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[C@H]2CCCC[C@H]12	ZINC000884405343	983140965	/nfs/dbraw/zinc/14/09/65/983140965.db2.gz	NRQFGVCNEKPOHP-SCLBIUGTSA-N	1	0	359.470	1.706	20	30		FDEDRO
Cc1cccc([C@H]2C(=O)NCCN2C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c1	ZINC000884416395	983145540	/nfs/dbraw/zinc/14/55/40/983145540.db2.gz	AFQXNJHFLPNZLE-RXCRORICSA-N	1	0	352.438	1.134	20	30		FDEDRO
N#Cc1ccccc1N1CCC(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1	ZINC000884458585	983166913	/nfs/dbraw/zinc/16/69/13/983166913.db2.gz	ITANOVURSWZCGF-BQIYRTECSA-N	1	0	363.465	1.783	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1	ZINC000884466965	983172084	/nfs/dbraw/zinc/17/20/84/983172084.db2.gz	LFNOMGKHHOFDAC-KRWDZBQOSA-N	1	0	359.470	1.213	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2)c1ccc(C#N)cc1	ZINC000884541663	983233051	/nfs/dbraw/zinc/23/30/51/983233051.db2.gz	KPKOCFZSHKWWDB-CQSZACIVSA-N	1	0	362.433	1.698	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)c1ccc(C#N)cc1	ZINC000884541368	983233060	/nfs/dbraw/zinc/23/30/60/983233060.db2.gz	CDKFLOKPDHJRDK-FOIQADDNSA-N	1	0	354.454	1.728	20	30		FDEDRO
C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	ZINC000884551454	983239672	/nfs/dbraw/zinc/23/96/72/983239672.db2.gz	AWQVWLPOHFSGQZ-DOMZBBRYSA-N	1	0	368.462	1.851	20	30		FDEDRO
CCOC(=O)c1cc(C#N)c(C)nc1N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC001202502887	983291026	/nfs/dbraw/zinc/29/10/26/983291026.db2.gz	KEINVXTWSIHMFA-HNNXBMFYSA-N	1	0	358.442	1.597	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1COC(=O)[C@H]1OCC[C@H]1NC(=O)OC(C)(C)C	ZINC000860529239	983432518	/nfs/dbraw/zinc/43/25/18/983432518.db2.gz	CNRNWEWHCFKEQL-ZNMIVQPWSA-N	1	0	352.431	1.309	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1OCC(N)=O)C2	ZINC001110787758	983500023	/nfs/dbraw/zinc/50/00/23/983500023.db2.gz	LDEZIMGFDFCZFD-OIISXLGYSA-N	1	0	357.454	1.852	20	30		FDEDRO
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])c1C	ZINC000861542894	983771900	/nfs/dbraw/zinc/77/19/00/983771900.db2.gz	VNXDTDCIVAPCKE-LLVKDONJSA-N	1	0	354.414	1.105	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c(F)cc1C#N	ZINC000861774431	983913328	/nfs/dbraw/zinc/91/33/28/983913328.db2.gz	YUVGWQZQPVIFSS-QWHCGFSZSA-N	1	0	362.405	1.633	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCCS1(=O)=O)C2	ZINC001110817211	984343252	/nfs/dbraw/zinc/34/32/52/984343252.db2.gz	RSDUJVLDBOVPLE-VQHPVUNQSA-N	1	0	369.531	1.488	20	30		FDEDRO
C=CCNc1ncc(C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)s1	ZINC000653348391	1015042046	/nfs/dbraw/zinc/04/20/46/1015042046.db2.gz	FZIWXLLZKRCDAG-IHRRRGAJSA-N	1	0	350.488	1.521	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CCCCC1	ZINC000884785730	984792714	/nfs/dbraw/zinc/79/27/14/984792714.db2.gz	DAOGGHILOBXELZ-VXGBXAGGSA-N	1	0	360.380	1.172	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(CCC#N)cc1	ZINC000884998382	985054493	/nfs/dbraw/zinc/05/44/93/985054493.db2.gz	ONKIZLCRPUYXPR-MRXNPFEDSA-N	1	0	351.472	1.532	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)Nc1n[nH]cc1C(=O)NCc1ccc(OC)cc1	ZINC000869468245	985124939	/nfs/dbraw/zinc/12/49/39/985124939.db2.gz	PLCANOBVBUUPGW-UHFFFAOYSA-N	1	0	357.414	1.405	20	30		FDEDRO
C=CCCC[C@@H](NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)c1ccccc1	ZINC000885218428	985249477	/nfs/dbraw/zinc/24/94/77/985249477.db2.gz	VLXBAVZUJPWAAD-ZWKOTPCHSA-N	1	0	359.470	1.776	20	30		FDEDRO
C[C@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000885847865	985694811	/nfs/dbraw/zinc/69/48/11/985694811.db2.gz	LRTVGXDYSOVZMA-ZDUSSCGKSA-N	1	0	360.414	1.992	20	30		FDEDRO
CCOCCCNC(=O)C1CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1	ZINC000885952197	985796773	/nfs/dbraw/zinc/79/67/73/985796773.db2.gz	ZHHNDPIYWIKWNS-QGZVFWFLSA-N	1	0	351.491	1.686	20	30		FDEDRO
CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)C[C@H](O)CC2(C#N)CCC2)C1	ZINC000885979619	985816666	/nfs/dbraw/zinc/81/66/66/985816666.db2.gz	IADFVBZBBGODHZ-JKSUJKDBSA-N	1	0	365.474	1.165	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH+]2CCN(Cc3nccn3C(F)F)CC2)CCC1	ZINC000886072505	985860249	/nfs/dbraw/zinc/86/02/49/985860249.db2.gz	ICWUURPZFZLIRC-AWEZNQCLSA-N	1	0	353.417	1.841	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)CCC1	ZINC000886120888	985918062	/nfs/dbraw/zinc/91/80/62/985918062.db2.gz	PZVBWUMWEVOAJF-DLBZAZTESA-N	1	0	369.531	1.758	20	30		FDEDRO
CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)C[C@H](O)CC2(C#N)CCC2)CC1	ZINC000886207780	985971804	/nfs/dbraw/zinc/97/18/04/985971804.db2.gz	MADCOUVZRFEDJO-NVXWUHKLSA-N	1	0	371.547	1.813	20	30		FDEDRO
CCn1cc(CC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c[nH]c(C#N)c2)C3)cn1	ZINC001095337025	986074454	/nfs/dbraw/zinc/07/44/54/986074454.db2.gz	BEEHWXNELXDBLT-SQNIBIBYSA-N	1	0	352.442	1.681	20	30		FDEDRO
C#CCN(C(=O)C[C@H](CNC(=O)OC(C)(C)C)OC)C1CC[NH+](C)CC1	ZINC000886577727	986378329	/nfs/dbraw/zinc/37/83/29/986378329.db2.gz	VCSLARPIYIRWHC-MRXNPFEDSA-N	1	0	367.490	1.472	20	30		FDEDRO
C#CCN(C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)C1CC[NH+](C)CC1	ZINC000886587485	986392562	/nfs/dbraw/zinc/39/25/62/986392562.db2.gz	YDGBCYBLCVCDAS-UHFFFAOYSA-N	1	0	374.485	1.043	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1	ZINC000870976737	986553631	/nfs/dbraw/zinc/55/36/31/986553631.db2.gz	RNUCOTNSAPFOIP-RBVVOMGSSA-N	1	0	363.483	1.411	20	30		FDEDRO
COCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1	ZINC000871081681	986652087	/nfs/dbraw/zinc/65/20/87/986652087.db2.gz	AXXGHWNXQLZTID-ROUUACIJSA-N	1	0	366.469	1.994	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1Cl	ZINC000871814169	987266960	/nfs/dbraw/zinc/26/69/60/987266960.db2.gz	QFODAJHOWFONFU-KOLCDFICSA-N	1	0	367.780	1.969	20	30		FDEDRO
CN1Cc2ccccc2[C@H]1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000872235041	987533824	/nfs/dbraw/zinc/53/38/24/987533824.db2.gz	BUGGZVPOHRMECT-QGZVFWFLSA-N	1	0	356.451	1.503	20	30		FDEDRO
COC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@H]2Cc3ccc(C#N)cc3C2)cc1	ZINC000872238760	987535749	/nfs/dbraw/zinc/53/57/49/987535749.db2.gz	JXOJKMAJRIGEDJ-OALUTQOASA-N	1	0	366.417	1.842	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC[C@@H](O)CN(C)CCC#N)cc2F)CC1	ZINC000872239477	987536879	/nfs/dbraw/zinc/53/68/79/987536879.db2.gz	IKIFTAXYZFBOJD-QGZVFWFLSA-N	1	0	363.481	1.586	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CC[N@H+](CCCC#N)C1	ZINC000872294832	987580024	/nfs/dbraw/zinc/58/00/24/987580024.db2.gz	CPZCUNLKZMWOLI-ZNMIVQPWSA-N	1	0	364.446	1.805	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1	ZINC000872661962	987927070	/nfs/dbraw/zinc/92/70/70/987927070.db2.gz	AYNVBGRPPXKCSR-SJORKVTESA-N	1	0	363.483	1.460	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)C2=O)cc1	ZINC000360324062	987990739	/nfs/dbraw/zinc/99/07/39/987990739.db2.gz	SRGUISNRCNFZAR-GBESFXJTSA-N	1	0	354.454	1.195	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1nc(-c2ccccc2F)cs1	ZINC000293347952	988043969	/nfs/dbraw/zinc/04/39/69/988043969.db2.gz	KRSQBDHYBCMNOA-UHFFFAOYSA-N	1	0	374.441	1.959	20	30		FDEDRO
C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3cc(C#N)cn3C(C)(C)C)C2)C1	ZINC000293514140	988095579	/nfs/dbraw/zinc/09/55/79/988095579.db2.gz	YEFZWPUAJLGMGN-FQEVSTJZSA-N	1	0	371.485	1.998	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CSc1cccc[n+]1[O-]	ZINC000299130708	988152874	/nfs/dbraw/zinc/15/28/74/988152874.db2.gz	NBLPEURJUSVQAQ-UHFFFAOYSA-N	1	0	370.478	1.874	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)C1	ZINC000360962896	988229134	/nfs/dbraw/zinc/22/91/34/988229134.db2.gz	RZDFVPKRYSHJED-UXHICEINSA-N	1	0	367.497	1.375	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1)C[NH+]1CCCC1	ZINC000872923897	988289137	/nfs/dbraw/zinc/28/91/37/988289137.db2.gz	NBOQSHVXMSFHCN-INIZCTEOSA-N	1	0	356.474	1.517	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cc(OC)c(OC)cc2C(=O)NC)CC1	ZINC000299341204	988344354	/nfs/dbraw/zinc/34/43/54/988344354.db2.gz	JYBFKMWQXQFDQF-UHFFFAOYSA-N	1	0	359.426	1.347	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000361629172	988428877	/nfs/dbraw/zinc/42/88/77/988428877.db2.gz	IJESXCMNVWUPQU-DLBZAZTESA-N	1	0	370.453	1.284	20	30		FDEDRO
Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2ccc(C#N)cn2)o1	ZINC000294736596	988532629	/nfs/dbraw/zinc/53/26/29/988532629.db2.gz	LBQCGDVEHDIIQZ-UHFFFAOYSA-N	1	0	355.398	1.384	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1C#N	ZINC000873105597	988561844	/nfs/dbraw/zinc/56/18/44/988561844.db2.gz	ZGVQMVPPMSNGMB-ZYHUDNBSSA-N	1	0	354.332	1.401	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)OC)CC1	ZINC000366430058	988692795	/nfs/dbraw/zinc/69/27/95/988692795.db2.gz	IYIQNAYERMHZBN-LESCRADOSA-N	1	0	365.474	1.285	20	30		FDEDRO
C=CCCn1cc(C[N@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)nn1	ZINC000653731964	1015429792	/nfs/dbraw/zinc/42/97/92/1015429792.db2.gz	PLJQUSJWMCWZIB-GOSISDBHSA-N	1	0	356.474	1.984	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1	ZINC000367252267	988942895	/nfs/dbraw/zinc/94/28/95/988942895.db2.gz	LOOQCWSKHIYWGT-MJGOQNOKSA-N	1	0	372.469	1.574	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1C#N	ZINC000873689762	988996466	/nfs/dbraw/zinc/99/64/66/988996466.db2.gz	USICLAROHIJQOH-UHFFFAOYSA-N	1	0	358.442	1.884	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)CC1	ZINC000369589839	989062329	/nfs/dbraw/zinc/06/23/29/989062329.db2.gz	AKSUWQIIWVWFJD-IBGZPJMESA-N	1	0	367.493	1.682	20	30		FDEDRO
N#Cc1cc(F)cc(NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1	ZINC000873734141	989087293	/nfs/dbraw/zinc/08/72/93/989087293.db2.gz	HBZQSQZTTBLNNS-QGZVFWFLSA-N	1	0	374.416	1.395	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1C#N	ZINC000873735972	989089494	/nfs/dbraw/zinc/08/94/94/989089494.db2.gz	ZWUGTOUZKKTOJF-OAHLLOKOSA-N	1	0	370.453	1.840	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCN2C(=O)c2ccncc2)CC1	ZINC000369757224	989148675	/nfs/dbraw/zinc/14/86/75/989148675.db2.gz	KNBFKPVLQNNZQJ-GOSISDBHSA-N	1	0	354.454	1.290	20	30		FDEDRO
Cc1c(C(=O)N(C)C[C@H](C)C#N)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000363397067	989161243	/nfs/dbraw/zinc/16/12/43/989161243.db2.gz	DUIIOVNNZPUFHZ-CYBMUJFWSA-N	1	0	352.442	1.795	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H](C)CC#N)cc2F)CC1	ZINC000873822054	989257395	/nfs/dbraw/zinc/25/73/95/989257395.db2.gz	VDFWKGMIJNNKFA-ZDUSSCGKSA-N	1	0	361.421	1.324	20	30		FDEDRO
CNC(=O)CN1CCCN(C(=O)CCCCOc2cccc(C#N)c2)CC1	ZINC000363515930	989263515	/nfs/dbraw/zinc/26/35/15/989263515.db2.gz	NLLMLBUULNAZLJ-UHFFFAOYSA-N	1	0	372.469	1.388	20	30		FDEDRO
Cc1cc(CN2CCC([N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)CC2)on1	ZINC000369905409	989288793	/nfs/dbraw/zinc/28/87/93/989288793.db2.gz	ZTULWDHZRMQBJH-LJQANCHMSA-N	1	0	361.490	1.934	20	30		FDEDRO
CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3cc(C#N)ccc3F)C2)CC1	ZINC000363572730	989314189	/nfs/dbraw/zinc/31/41/89/989314189.db2.gz	IVBUXZSZCRRPCL-MRXNPFEDSA-N	1	0	359.449	1.665	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1	ZINC000363903422	989458296	/nfs/dbraw/zinc/45/82/96/989458296.db2.gz	IRHWTFYWWXWTFN-IAGOWNOFSA-N	1	0	354.458	1.412	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)CC1	ZINC000297187496	989490611	/nfs/dbraw/zinc/49/06/11/989490611.db2.gz	AMOPVUJEIMJFMK-UHFFFAOYSA-N	1	0	364.377	1.747	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(C#N)c(C)n1	ZINC000873972416	989552851	/nfs/dbraw/zinc/55/28/51/989552851.db2.gz	KHYYFZVFCZYJMN-UHFFFAOYSA-N	1	0	373.457	1.017	20	30		FDEDRO
C=CCOCCNC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1	ZINC000370327835	989665013	/nfs/dbraw/zinc/66/50/13/989665013.db2.gz	VCIDKUNLZPJVQO-UHFFFAOYSA-N	1	0	374.485	1.474	20	30		FDEDRO
C[C@@H](C#N)CN(C)C(=O)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000297787094	989690894	/nfs/dbraw/zinc/69/08/94/989690894.db2.gz	QSGNLTCTEGJXJS-FUHWJXTLSA-N	1	0	356.470	1.585	20	30		FDEDRO
C=CCN(C(=O)N[C@@H]1CCN(C)C1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000364728685	989741230	/nfs/dbraw/zinc/74/12/30/989741230.db2.gz	KYHLXAJAZAWRQT-QZTJIDSGSA-N	1	0	356.470	1.689	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2	ZINC000297940798	989786459	/nfs/dbraw/zinc/78/64/59/989786459.db2.gz	ZGKVLZMDNIENKJ-HXUWFJFHSA-N	1	0	359.470	1.781	20	30		FDEDRO
COC(=O)c1ccnc(N2CCC([NH2+]Cc3cc(C#N)n(C)c3)CC2)c1	ZINC000364866371	989851599	/nfs/dbraw/zinc/85/15/99/989851599.db2.gz	XADLWQYFWOVATJ-UHFFFAOYSA-N	1	0	353.426	1.837	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1	ZINC000874172087	989867632	/nfs/dbraw/zinc/86/76/32/989867632.db2.gz	WWKIOBCADGSIPS-GOEBONIOSA-N	1	0	356.426	1.448	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000298202913	989959245	/nfs/dbraw/zinc/95/92/45/989959245.db2.gz	XRONOFVFPYXKAZ-IBGZPJMESA-N	1	0	370.497	1.050	20	30		FDEDRO
CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1	ZINC000365055201	989988826	/nfs/dbraw/zinc/98/88/26/989988826.db2.gz	OPGKZTXOCAXOIU-RBUKOAKNSA-N	1	0	368.481	1.849	20	30		FDEDRO
CCC[NH+]1CCC(N(C)C(=O)C(=O)N(C)Cc2cccc(C#N)c2)CC1	ZINC000298553098	990154544	/nfs/dbraw/zinc/15/45/44/990154544.db2.gz	LIQBMCVORMXIFH-UHFFFAOYSA-N	1	0	356.470	1.849	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[NH+]2CCC(c3nc(=O)[nH][nH]3)CC2)cc1Cl	ZINC000298563973	990160109	/nfs/dbraw/zinc/16/01/09/990160109.db2.gz	PSVQJUDGURBPEN-UHFFFAOYSA-N	1	0	374.832	1.831	20	30		FDEDRO
C[NH+](C)CCN1CCCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1	ZINC000365543950	990284456	/nfs/dbraw/zinc/28/44/56/990284456.db2.gz	BKRNQDDXCVBGCE-LJQANCHMSA-N	1	0	353.470	1.336	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1	ZINC000371474802	990458216	/nfs/dbraw/zinc/45/82/16/990458216.db2.gz	LHHTZXOBIHIPCV-LJQANCHMSA-N	1	0	353.466	1.639	20	30		FDEDRO
Cn1cc(CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(-c2ccc(C#N)cc2)n1	ZINC000371540474	990512299	/nfs/dbraw/zinc/51/22/99/990512299.db2.gz	YANWNPOREUUOCH-MOPGFXCFSA-N	1	0	351.454	1.912	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1	ZINC000874994487	990696364	/nfs/dbraw/zinc/69/63/64/990696364.db2.gz	PFDNLFOEAMPTIZ-QZTJIDSGSA-N	1	0	357.454	1.094	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1	ZINC000875002123	990710708	/nfs/dbraw/zinc/71/07/08/990710708.db2.gz	BMWUKDSJKANSLE-MRXNPFEDSA-N	1	0	351.491	1.302	20	30		FDEDRO
CN1CC[NH+](CC2(C)CCN(C(=O)COc3ccc(C#N)cc3)CC2)CC1	ZINC000371785096	990718714	/nfs/dbraw/zinc/71/87/14/990718714.db2.gz	WTJHJBCVWQUSHF-UHFFFAOYSA-N	1	0	370.497	1.813	20	30		FDEDRO
CCCC[C@@H](ON=C(C)C)C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000371870940	990789209	/nfs/dbraw/zinc/78/92/09/990789209.db2.gz	VUOWQISWPISLPK-DLBZAZTESA-N	1	0	366.506	1.898	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000875088738	990871555	/nfs/dbraw/zinc/87/15/55/990871555.db2.gz	DRAXLIGRKLLZJW-MOPGFXCFSA-N	1	0	371.481	1.312	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1	ZINC000875129444	990936296	/nfs/dbraw/zinc/93/62/96/990936296.db2.gz	ZVZHXKJIWMUSKN-GOSISDBHSA-N	1	0	363.502	1.302	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)C(=O)NCCNc1ncccc1C#N	ZINC000875148860	990966581	/nfs/dbraw/zinc/96/65/81/990966581.db2.gz	GSTMFAUPBGTRCW-UHFFFAOYSA-N	1	0	374.489	1.365	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)C(=O)c2ccc(N3CC[NH+](CC)CC3)cc2)C1=O	ZINC000410110647	991009540	/nfs/dbraw/zinc/00/95/40/991009540.db2.gz	POCDMWWYMWUKBN-LJQANCHMSA-N	1	0	370.497	1.687	20	30		FDEDRO
Cc1cc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)nn1-c1cccc(C#N)c1	ZINC000372373670	991054529	/nfs/dbraw/zinc/05/45/29/991054529.db2.gz	CZFVIFXYNSABAO-QGZVFWFLSA-N	1	0	350.426	2.364	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)c1	ZINC000372652330	991300400	/nfs/dbraw/zinc/30/04/00/991300400.db2.gz	IRBLGSHGJFELKX-MSOLQXFVSA-N	1	0	355.438	1.054	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@H]1CO	ZINC000372653610	991303725	/nfs/dbraw/zinc/30/37/25/991303725.db2.gz	KZDIZTWPRUZVTI-SJORKVTESA-N	1	0	370.453	1.253	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H]1C[N@H+]1CCC[C@H]1CO	ZINC000372666961	991323374	/nfs/dbraw/zinc/32/33/74/991323374.db2.gz	QRNAEKNFEGUHHL-HOTGVXAUSA-N	1	0	374.416	1.084	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC[C@H](C[NH+](C)C)C3)C2)n1	ZINC000372673439	991330479	/nfs/dbraw/zinc/33/04/79/991330479.db2.gz	HLDDKRPHVPUTDY-AEFFLSMTSA-N	1	0	355.486	1.888	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000875336441	991343898	/nfs/dbraw/zinc/34/38/98/991343898.db2.gz	RUHTUIOPAUCHPC-BHIYHBOVSA-N	1	0	371.481	1.168	20	30		FDEDRO
Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2nn(C(C)(C)C)cc2C#N)cn1	ZINC000875395441	991462081	/nfs/dbraw/zinc/46/20/81/991462081.db2.gz	XWXOYCPKUKOWHK-CVEARBPZSA-N	1	0	369.473	1.917	20	30		FDEDRO
Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2nn(C(C)(C)C)cc2C#N)cn1	ZINC000875395444	991462355	/nfs/dbraw/zinc/46/23/55/991462355.db2.gz	XWXOYCPKUKOWHK-JKSUJKDBSA-N	1	0	369.473	1.917	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CCC(C)([NH+]3CCCC3)CC2)c1	ZINC000875399108	991470440	/nfs/dbraw/zinc/47/04/40/991470440.db2.gz	VAVRKPLBWAJVFD-UHFFFAOYSA-N	1	0	353.466	1.761	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC000372936172	991699739	/nfs/dbraw/zinc/69/97/39/991699739.db2.gz	WIVHXVXUSFIIPD-HOTGVXAUSA-N	1	0	359.426	1.003	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C	ZINC000410732416	991760161	/nfs/dbraw/zinc/76/01/61/991760161.db2.gz	KOOYRLUQWLVEKA-QGZVFWFLSA-N	1	0	365.518	1.903	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1	ZINC000875605392	991795467	/nfs/dbraw/zinc/79/54/67/991795467.db2.gz	GXYHGGZSIUDYGS-OKZBNKHCSA-N	1	0	363.502	1.254	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1	ZINC000875606285	991795865	/nfs/dbraw/zinc/79/58/65/991795865.db2.gz	RQORUNAEDNBVOF-ZWKOTPCHSA-N	1	0	363.502	1.111	20	30		FDEDRO
C#C[C@H](NC(=O)NCC[N@H+]1CC[C@H](O)C1)c1ccc(Br)cc1	ZINC000875724521	991948430	/nfs/dbraw/zinc/94/84/30/991948430.db2.gz	FJIDSRLWTVJMBL-GJZGRUSLSA-N	1	0	366.259	1.489	20	30		FDEDRO
COC(=O)[C@@H]1CN([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC12CCC2	ZINC000373146390	991955307	/nfs/dbraw/zinc/95/53/07/991955307.db2.gz	WWWDNKFGBSZNFC-HOTGVXAUSA-N	1	0	367.405	1.465	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1	ZINC000410903458	991978333	/nfs/dbraw/zinc/97/83/33/991978333.db2.gz	CDOUMIHUCBYZHV-UHFFFAOYSA-N	1	0	374.485	1.417	20	30		FDEDRO
Cc1c(C#N)c(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)nn1C	ZINC000875808221	992020113	/nfs/dbraw/zinc/02/01/13/992020113.db2.gz	ODMOHOUZWWHWQO-DOTOQJQBSA-N	1	0	369.473	1.786	20	30		FDEDRO
C=CCN(C(=O)NCc1nnn(C)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000373313148	992160217	/nfs/dbraw/zinc/16/02/17/992160217.db2.gz	IREZDFJQSYGRQJ-INIZCTEOSA-N	1	0	355.446	1.182	20	30		FDEDRO
CON(C)C(=O)[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000875908605	992173006	/nfs/dbraw/zinc/17/30/06/992173006.db2.gz	JXRSEUDZXNNMQX-CQSZACIVSA-N	1	0	361.446	1.040	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000875918853	992190457	/nfs/dbraw/zinc/19/04/57/992190457.db2.gz	XOIUSUCQVGGJCA-AZUAARDMSA-N	1	0	359.470	1.351	20	30		FDEDRO
C#CCOCCC(=O)N(C)c1cc([N+](=O)[O-])cc(N2CC[NH+](CC)CC2)c1	ZINC000876228870	992490091	/nfs/dbraw/zinc/49/00/91/992490091.db2.gz	VUTBVODTIZYKGG-UHFFFAOYSA-N	1	0	374.441	1.739	20	30		FDEDRO
C#CC[C@@]1(C(=O)NC[C@](C)(O)C[NH+](C)C)CCCN1C(=O)OC(C)(C)C	ZINC000373920205	992517967	/nfs/dbraw/zinc/51/79/67/992517967.db2.gz	JMJPJFJBPRGCMQ-OALUTQOASA-N	1	0	367.490	1.208	20	30		FDEDRO
COC[C@@]1(C[NH+](C)C)COCCN1C(=O)[C@H](C)Oc1ccc(C#N)cc1	ZINC000876471223	992629775	/nfs/dbraw/zinc/62/97/75/992629775.db2.gz	LOWJFZATNGFEGH-KXBFYZLASA-N	1	0	361.442	1.131	20	30		FDEDRO
COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1ccc(Cl)c(C#N)c1	ZINC000876473356	992639014	/nfs/dbraw/zinc/63/90/14/992639014.db2.gz	PFPRXVHDVRVQFC-QGZVFWFLSA-N	1	0	351.834	1.631	20	30		FDEDRO
Cn1ncc2c1CCCN(CC#CCN1CCCc3c(cnn3C)C1)C2	ZINC000411854432	992656537	/nfs/dbraw/zinc/65/65/37/992656537.db2.gz	OSABMEQQPADCED-UHFFFAOYSA-N	1	0	352.486	1.354	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)s1	ZINC000876535300	992689880	/nfs/dbraw/zinc/68/98/80/992689880.db2.gz	WWJJQLALIHTRBU-CHWSQXEVSA-N	1	0	371.528	1.341	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(C)c(F)c2)CC1	ZINC000876581171	992716788	/nfs/dbraw/zinc/71/67/88/992716788.db2.gz	BQNWCYNMTBKEKB-HNNXBMFYSA-N	1	0	353.825	1.888	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1	ZINC000876590547	992725619	/nfs/dbraw/zinc/72/56/19/992725619.db2.gz	XBOIGCIGJIDVQR-MLGOLLRUSA-N	1	0	365.861	1.991	20	30		FDEDRO
N#CC1(NC(=O)C[N@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)CCCCC1	ZINC000411962147	992742559	/nfs/dbraw/zinc/74/25/59/992742559.db2.gz	AYTHFSNSHPDZED-FQEVSTJZSA-N	1	0	354.454	1.458	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](CO)[C@@H]2CCCOC2)c1	ZINC000411978800	992749841	/nfs/dbraw/zinc/74/98/41/992749841.db2.gz	DKELWVVAMUIIKE-MJGOQNOKSA-N	1	0	359.470	1.927	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000876643039	992765341	/nfs/dbraw/zinc/76/53/41/992765341.db2.gz	RVMGFOZHWPSBQY-BXUZGUMPSA-N	1	0	359.879	1.584	20	30		FDEDRO
C=CCNC(=O)c1ccc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)nc1	ZINC000374310431	992766296	/nfs/dbraw/zinc/76/62/96/992766296.db2.gz	MDJISCBJIXIVCP-WMZOPIPTSA-N	1	0	357.502	1.460	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1	ZINC000876659884	992778855	/nfs/dbraw/zinc/77/88/55/992778855.db2.gz	IPVIOHBUXRKXCW-IEBWSBKVSA-N	1	0	366.465	1.606	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCc2ccc(S(=O)(=O)NCC)cc21	ZINC000876681067	992791737	/nfs/dbraw/zinc/79/17/37/992791737.db2.gz	WNUZGFGXTRGSGE-ZDUSSCGKSA-N	1	0	357.863	1.344	20	30		FDEDRO
COC(=O)[C@@H](CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)c1ccccc1	ZINC000876685471	992794697	/nfs/dbraw/zinc/79/46/97/992794697.db2.gz	QYDMQYZBAIVBQV-OALUTQOASA-N	1	0	363.417	1.818	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccccc1OCC(=O)N1CCOCC1	ZINC000876696028	992804091	/nfs/dbraw/zinc/80/40/91/992804091.db2.gz	NYRLDLBXMBQSBH-CYBMUJFWSA-N	1	0	367.833	1.333	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCN(C[C@@H]2CCCO2)CC1	ZINC000876709584	992814739	/nfs/dbraw/zinc/81/47/39/992814739.db2.gz	VHLQNZLYVQZDCB-PKOBYXMFSA-N	1	0	354.454	1.068	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1	ZINC000876716315	992823804	/nfs/dbraw/zinc/82/38/04/992823804.db2.gz	FSFRYYCGQUACJC-HNNXBMFYSA-N	1	0	350.850	1.239	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1	ZINC000876745819	992865102	/nfs/dbraw/zinc/86/51/02/992865102.db2.gz	PIQNBKGBANHTQU-INIZCTEOSA-N	1	0	364.877	1.311	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2(C)CC[NH2+]CC2)s1	ZINC000876799078	992918376	/nfs/dbraw/zinc/91/83/76/992918376.db2.gz	XWUGFNSPHLBMIJ-UHFFFAOYSA-N	1	0	371.528	1.261	20	30		FDEDRO
COc1ccc(-c2nc(C)sc2CC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cc1	ZINC000876802599	992920227	/nfs/dbraw/zinc/92/02/27/992920227.db2.gz	QWQKOSIRCGBJNU-ZFWWWQNUSA-N	1	0	356.451	1.897	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@H+](C)C1CCN(CCc2ccncc2)CC1	ZINC000374747152	992934967	/nfs/dbraw/zinc/93/49/67/992934967.db2.gz	DBQARUJBRFYCEF-UHFFFAOYSA-N	1	0	357.502	1.782	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N(Cc1cccnc1)[C@@H]1CCS(=O)(=O)C1	ZINC000876873586	992944009	/nfs/dbraw/zinc/94/40/09/992944009.db2.gz	KTEITJHECPRSHI-KGLIPLIRSA-N	1	0	357.863	1.067	20	30		FDEDRO
C[C@@H]([C@@H]1CN(Cc2ccccc2)CCO1)[N@H+](C)CCC(=O)N(C)CCC#N	ZINC000374907087	992966091	/nfs/dbraw/zinc/96/60/91/992966091.db2.gz	CHFRUCIFWROZBQ-ICSRJNTNSA-N	1	0	372.513	1.970	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCC(OCC3CC3)CC2)CC1	ZINC000374992346	992978481	/nfs/dbraw/zinc/97/84/81/992978481.db2.gz	XGAQMPYTDHHGLW-LJQANCHMSA-N	1	0	362.518	1.570	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1	ZINC000876976305	992992861	/nfs/dbraw/zinc/99/28/61/992992861.db2.gz	NRBROOZBNXLIFV-DLBZAZTESA-N	1	0	350.894	1.389	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](Cc2nnc3ccccn32)C1	ZINC000375120977	992999499	/nfs/dbraw/zinc/99/94/99/992999499.db2.gz	MTYBLLQNRBLGLR-GJZGRUSLSA-N	1	0	370.457	1.384	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F	ZINC000877148478	993072066	/nfs/dbraw/zinc/07/20/66/993072066.db2.gz	MDLJRUCNIGVRPT-IUODEOHRSA-N	1	0	360.380	1.859	20	30		FDEDRO
CNC(=O)CN1C(=O)CC[C@@]12CCC[N@H+](Cc1ccc(OCC#N)cc1)C2	ZINC001137116607	993081313	/nfs/dbraw/zinc/08/13/13/993081313.db2.gz	KHURJUJTHPSDAJ-HXUWFJFHSA-N	1	0	370.453	1.292	20	30		FDEDRO
CCO[C@H]1C[C@]([NH3+])(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1(C)C	ZINC000877297520	993194528	/nfs/dbraw/zinc/19/45/28/993194528.db2.gz	SZBGWDFBFVBWEI-LPHOPBHVSA-N	1	0	357.458	1.134	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H](COC)NC(=O)OC(C)(C)C)CC1	ZINC000796603434	1015770097	/nfs/dbraw/zinc/77/00/97/1015770097.db2.gz	RMQQKFPQGZXHKO-HNNXBMFYSA-N	1	0	353.463	1.130	20	30		FDEDRO
N#Cc1cnc(Cl)c(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)c1	ZINC000877658958	993418361	/nfs/dbraw/zinc/41/83/61/993418361.db2.gz	ZFPPXLNQSAJCMG-QGZVFWFLSA-N	1	0	357.845	1.992	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1	ZINC001095555601	993426030	/nfs/dbraw/zinc/42/60/30/993426030.db2.gz	UZZVBHZTFMJRSO-ANULTFPQSA-N	1	0	362.477	1.877	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(F)(F)C1	ZINC001095556164	993432117	/nfs/dbraw/zinc/43/21/17/993432117.db2.gz	BAZYWQRZHBDAOH-QZWWFDLISA-N	1	0	351.441	1.851	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccns1	ZINC001095556260	993432590	/nfs/dbraw/zinc/43/25/90/993432590.db2.gz	IFEKZLLKENSPPQ-UBDQQSCGSA-N	1	0	358.511	1.505	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC[C@](C#N)(C(C)=O)c2ccccc2)CC1	ZINC000878019631	993617125	/nfs/dbraw/zinc/61/71/25/993617125.db2.gz	XOUBYUCQPUTDTF-NRFANRHFSA-N	1	0	351.450	1.888	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NCC(=O)NCc2ccc(C#N)cc2)[C@@H](C)C1	ZINC000469793042	993881339	/nfs/dbraw/zinc/88/13/39/993881339.db2.gz	BIUTYHGJRPVFQT-FXAWDEMLSA-N	1	0	372.513	1.901	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2CCCCC2=O)C3)cc1	ZINC001095678260	993990789	/nfs/dbraw/zinc/99/07/89/993990789.db2.gz	HTWHBUKSOSNPOF-QYZOEREBSA-N	1	0	366.465	1.792	20	30		FDEDRO
C[C@@H]1C[NH+](C[C@](C)(O)CN(C)C(=O)OC(C)(C)C)C[C@@H](C)N1CC#N	ZINC000878772147	994214966	/nfs/dbraw/zinc/21/49/66/994214966.db2.gz	GPOUKWMKWXQFSJ-IIDMSEBBSA-N	1	0	354.495	1.522	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1	ZINC000878916193	994347500	/nfs/dbraw/zinc/34/75/00/994347500.db2.gz	UEOUQIRFJNASOW-UHFFFAOYSA-N	1	0	359.474	1.564	20	30		FDEDRO
Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2C[C@H](O)c2ccc(C#N)cc2)cn1	ZINC000879190117	994615964	/nfs/dbraw/zinc/61/59/64/994615964.db2.gz	JKQZADABHDTFHR-ROUUACIJSA-N	1	0	353.426	1.220	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1	ZINC000879212884	994641948	/nfs/dbraw/zinc/64/19/48/994641948.db2.gz	PSMXPTYLYVQIED-HUUCEWRRSA-N	1	0	352.479	1.841	20	30		FDEDRO
CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H]3CCCN(O)C3=O)c2)CC1	ZINC000879236586	994682412	/nfs/dbraw/zinc/68/24/12/994682412.db2.gz	GGADOVIIVQSEHM-MRXNPFEDSA-N	1	0	361.446	1.330	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CN1C(=O)N[C@H]([C@H](O)c2ccncc2)C1=O)C(C)C	ZINC000924486754	994737337	/nfs/dbraw/zinc/73/73/37/994737337.db2.gz	YMRFGNMENZHTOA-KZNAEPCWSA-N	1	0	372.469	1.734	20	30		FDEDRO
C=CCCC[C@H]1NC(=O)N(C2CC[NH+](CCC(=O)N(C)C)CC2)C1=O	ZINC000924613207	994878955	/nfs/dbraw/zinc/87/89/55/994878955.db2.gz	AYOAUSMYPHCLES-OAHLLOKOSA-N	1	0	350.463	1.206	20	30		FDEDRO
COc1cccc(CN2CC[NH+](C[C@@H](O)CC3(C#N)CCOCC3)CC2)c1	ZINC000879447493	994920357	/nfs/dbraw/zinc/92/03/57/994920357.db2.gz	CEVTYZXDNHIUJM-IBGZPJMESA-N	1	0	373.497	1.884	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)CC1	ZINC000879563067	995011342	/nfs/dbraw/zinc/01/13/42/995011342.db2.gz	PZGMSFOWZCYDEM-ULQDDVLXSA-N	1	0	350.532	1.364	20	30		FDEDRO
CS(=O)(=O)N1CCC[C@H](C[NH+]2CCN(c3ccc(C#N)cc3)CC2)C1	ZINC000879585663	995050535	/nfs/dbraw/zinc/05/05/35/995050535.db2.gz	NBQOVCIWJCCQIN-QGZVFWFLSA-N	1	0	362.499	1.352	20	30		FDEDRO
COC(=O)C1(C#N)CCN(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)CC1	ZINC000925166333	995358782	/nfs/dbraw/zinc/35/87/82/995358782.db2.gz	ASGYSQGBXYAJPN-UONOGXRCSA-N	1	0	366.487	1.055	20	30		FDEDRO
COC(=O)C1(C#N)CCN(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1	ZINC000925166327	995358959	/nfs/dbraw/zinc/35/89/59/995358959.db2.gz	ASGYSQGBXYAJPN-KBPBESRZSA-N	1	0	366.487	1.055	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H](C(=O)N[C@H]3CCC[C@@H](O)C3)C2)cc1	ZINC000879973860	995498660	/nfs/dbraw/zinc/49/86/60/995498660.db2.gz	DQVKFKSBBJAOAB-IYWMVGAKSA-N	1	0	371.481	1.723	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(CC2([NH+]3CCCCC3)CCN(C)CC2)C1=O	ZINC000925328543	995499043	/nfs/dbraw/zinc/49/90/43/995499043.db2.gz	ZFILCKSRDBMGAN-MRXNPFEDSA-N	1	0	364.490	1.060	20	30		FDEDRO
C=C(Cl)C[C@H]1NC(=O)N(Cc2ccncc2OCCC[NH+](C)C)C1=O	ZINC000925376419	995542124	/nfs/dbraw/zinc/54/21/24/995542124.db2.gz	MBIQQFYLHSYQLT-CQSZACIVSA-N	1	0	366.849	1.975	20	30		FDEDRO
C[N@@H+]1CC[C@H]1CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000925402389	995561940	/nfs/dbraw/zinc/56/19/40/995561940.db2.gz	DOZGUPPSIXUXQH-KRWDZBQOSA-N	1	0	355.442	1.622	20	30		FDEDRO
C#CC[C@H]1NC(=O)N(C[C@H]2CCC[N@H+](C3CC3)[C@@H]2c2ccnn2C)C1=O	ZINC000925417217	995578139	/nfs/dbraw/zinc/57/81/39/995578139.db2.gz	NSDXKMYFVVUGJY-UNEWFSDZSA-N	1	0	355.442	1.279	20	30		FDEDRO
COc1cc(NC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)c(F)cc1C#N	ZINC000880158828	995694685	/nfs/dbraw/zinc/69/46/85/995694685.db2.gz	CNYMSPJAWNZDRK-LBPRGKRZSA-N	1	0	350.394	1.673	20	30		FDEDRO
N#CC1(C[C@@H](O)CN2CCC[C@@H]([NH2+]C3CCOCC3)C2)CCOCC1	ZINC000880201566	995719915	/nfs/dbraw/zinc/71/99/15/995719915.db2.gz	OVPGAQPXDZFARY-QZTJIDSGSA-N	1	0	351.491	1.291	20	30		FDEDRO
N#Cc1ccc(CNC(=O)CN2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc1	ZINC000880209162	995722743	/nfs/dbraw/zinc/72/27/43/995722743.db2.gz	PCWLEKKXJHDOOH-LJQANCHMSA-N	1	0	356.470	1.407	20	30		FDEDRO
CNS(=O)(=O)c1ccc(N2CC[NH+](CCC(C)(C)C#N)CC2)cc1	ZINC000880265981	995768717	/nfs/dbraw/zinc/76/87/17/995768717.db2.gz	DFOZJHYHPZGOGR-UHFFFAOYSA-N	1	0	350.488	1.657	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[C@@]3(C[N@@H+](CC)[C@H]3C(C)C)C[C@H]2O)nn1	ZINC000926233951	995982094	/nfs/dbraw/zinc/98/20/94/995982094.db2.gz	FDRHUFBHINRDHJ-NWGLXNPWSA-N	1	0	361.490	1.454	20	30		FDEDRO
CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3cc(C)c(C#N)cn3)C2)[C@H]1C(C)C	ZINC000926236441	995984536	/nfs/dbraw/zinc/98/45/36/995984536.db2.gz	OLRZJSPRQMIOQQ-MLYOOKFZSA-N	1	0	356.470	1.861	20	30		FDEDRO
CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3cccc(C#CCO)c3)C2)[C@@H]1C(C)C	ZINC000926267906	996010651	/nfs/dbraw/zinc/01/06/51/996010651.db2.gz	BPJAVSDVSUKTGE-JBPLPALLSA-N	1	0	370.493	1.630	20	30		FDEDRO
C[N@H+](Cc1ccccc1)C1(CNC(=O)N2CCO[C@H](C#N)C2)CCOCC1	ZINC000926785157	996301701	/nfs/dbraw/zinc/30/17/01/996301701.db2.gz	IVBMAANTOPGYTB-GOSISDBHSA-N	1	0	372.469	1.602	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1ncccn1)C2	ZINC000965424568	1016059597	/nfs/dbraw/zinc/05/95/97/1016059597.db2.gz	LWACBWOARXSVKY-WJPLLRQDSA-N	1	0	356.470	1.975	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC1	ZINC000887028232	996837901	/nfs/dbraw/zinc/83/79/01/996837901.db2.gz	PCPAZVDLZDCEDA-KRWDZBQOSA-N	1	0	373.453	1.216	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC1	ZINC000887028356	996838903	/nfs/dbraw/zinc/83/89/03/996838903.db2.gz	YJLDCKDQUOYYJB-UHFFFAOYSA-N	1	0	359.426	1.037	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1	ZINC000887040693	996862270	/nfs/dbraw/zinc/86/22/70/996862270.db2.gz	ILLBPKPTOPHHOK-YWZLYKJASA-N	1	0	370.453	1.908	20	30		FDEDRO
CCN(C(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[C@H]1CC[NH2+]C1	ZINC000887066134	996899187	/nfs/dbraw/zinc/89/91/87/996899187.db2.gz	DOENNSWJDOYTTB-INIZCTEOSA-N	1	0	370.453	1.138	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)Nc2sc3c(c2C(N)=O)CCC3)CCOCC1	ZINC000887123252	996953611	/nfs/dbraw/zinc/95/36/11/996953611.db2.gz	GYAHZZIDSOLREZ-UHFFFAOYSA-N	1	0	361.467	1.436	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)Nc2cc(OC)c(OC)c(OC)c2)CCOCC1	ZINC000887123273	996953643	/nfs/dbraw/zinc/95/36/43/996953643.db2.gz	HUIWEJJBDJBMEG-UHFFFAOYSA-N	1	0	362.426	1.813	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CCOCC1	ZINC000887124788	996955366	/nfs/dbraw/zinc/95/53/66/996955366.db2.gz	UHFHJLBYPVYGRD-GOSISDBHSA-N	1	0	360.429	1.888	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NCc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000264075550	997396401	/nfs/dbraw/zinc/39/64/01/997396401.db2.gz	FNYZZENLVJBFQU-KFWWJZLASA-N	1	0	362.474	1.375	20	30		FDEDRO
CC(C)[N@@H+]1CCCN(CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1	ZINC000264109286	997402356	/nfs/dbraw/zinc/40/23/56/997402356.db2.gz	KCBMIVVMMXQGHC-MRXNPFEDSA-N	1	0	367.453	1.928	20	30		FDEDRO
CC(C)CCC[C@@H](C)NC(=[NH2+])NCc1ccc(C(=O)NCC(N)=O)cc1	ZINC000264116814	997405339	/nfs/dbraw/zinc/40/53/39/997405339.db2.gz	QBOCFGRVDPTYKF-CQSZACIVSA-N	1	0	361.490	1.521	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CCO1	ZINC000264497557	997525314	/nfs/dbraw/zinc/52/53/14/997525314.db2.gz	XMHMLYXMIHRMRF-GOSISDBHSA-N	1	0	370.453	1.404	20	30		FDEDRO
CN(CCCN1CC[NH+](C)CC1)C(=O)/C=C/c1ccc(OCC#N)cc1	ZINC000264694043	997571371	/nfs/dbraw/zinc/57/13/71/997571371.db2.gz	AZKMXZNBFUGPOJ-RMKNXTFCSA-N	1	0	356.470	1.698	20	30		FDEDRO
C#CCC1(NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)CCOCC1	ZINC000887667885	997622175	/nfs/dbraw/zinc/62/21/75/997622175.db2.gz	CQAZGAJPIYNGSB-QGZVFWFLSA-N	1	0	350.507	1.130	20	30		FDEDRO
C#CCC1(NC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CCOCC1	ZINC000887685436	997648954	/nfs/dbraw/zinc/64/89/54/997648954.db2.gz	FHGFWTYCSDUZKS-UHFFFAOYSA-N	1	0	371.485	1.205	20	30		FDEDRO
Cc1ccc([C@@H](CNC(=O)CCNC(=O)C2N=CC=CC2=O)[NH+](C)C)cc1	ZINC000265060242	997686401	/nfs/dbraw/zinc/68/64/01/997686401.db2.gz	SFRYCNHFAUAFLY-DVSFIDLUSA-N	1	0	370.453	1.630	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)N[C@@H](CC(=O)N(C)C)c2ccccc2)C1	ZINC000887915923	997945082	/nfs/dbraw/zinc/94/50/82/997945082.db2.gz	DFDMVGZHZQBTIJ-ROUUACIJSA-N	1	0	356.470	1.603	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	ZINC000887935184	997963728	/nfs/dbraw/zinc/96/37/28/997963728.db2.gz	METBDKHJAXPOCS-UZLBHIALSA-N	1	0	366.469	1.561	20	30		FDEDRO
C=CCOc1cc(OC)ccc1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000889760833	998612283	/nfs/dbraw/zinc/61/22/83/998612283.db2.gz	IDWGOKWTDUSSEH-MSOLQXFVSA-N	1	0	360.454	1.931	20	30		FDEDRO
CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000889761351	998613579	/nfs/dbraw/zinc/61/35/79/998613579.db2.gz	FPMUNJDVBCYOCI-QZTJIDSGSA-N	1	0	357.454	1.773	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c(OC)c1	ZINC000889783545	998657294	/nfs/dbraw/zinc/65/72/94/998657294.db2.gz	YQMMKNVTDFQREU-ROUUACIJSA-N	1	0	374.481	1.860	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)n1	ZINC000889843100	998700610	/nfs/dbraw/zinc/70/06/10/998700610.db2.gz	CXOHOKQPMUERMB-UHFFFAOYSA-N	1	0	355.442	1.421	20	30		FDEDRO
CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)Nc2cccc(CC#N)n2)CC1	ZINC000889866963	998713506	/nfs/dbraw/zinc/71/35/06/998713506.db2.gz	SFTPUNWSPFGKBD-UHFFFAOYSA-N	1	0	357.458	1.667	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C3CC3)c(C#N)c2)CC1	ZINC000889876848	998716504	/nfs/dbraw/zinc/71/65/04/998716504.db2.gz	JDSAXGAXBDUCTB-UHFFFAOYSA-N	1	0	370.453	1.601	20	30		FDEDRO
C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000890057924	998796518	/nfs/dbraw/zinc/79/65/18/998796518.db2.gz	QTQQRLGOWBSWRL-PBHICJAKSA-N	1	0	355.442	1.185	20	30		FDEDRO
C#C[C@H](CC)NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000890215696	998873357	/nfs/dbraw/zinc/87/33/57/998873357.db2.gz	RXUQMUWVBRTFIN-CRAIPNDOSA-N	1	0	354.454	1.438	20	30		FDEDRO
C=C(C)CCNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000890307602	998899732	/nfs/dbraw/zinc/89/97/32/998899732.db2.gz	PHVRMGNZNKKYPF-GOSISDBHSA-N	1	0	356.470	1.992	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)C(F)(F)n2cc(-c3ccccc3)nn2)CC1	ZINC000826694247	998937625	/nfs/dbraw/zinc/93/76/25/998937625.db2.gz	XYUIAZJDIZSMIZ-UHFFFAOYSA-N	1	0	360.368	1.599	20	30		FDEDRO
COCCN(CC[NH+](C)C)C(=O)NCc1ccc(SC)c(C#N)c1	ZINC000890452506	998948823	/nfs/dbraw/zinc/94/88/23/998948823.db2.gz	QBRXBCUUQMJSMV-UHFFFAOYSA-N	1	0	350.488	2.000	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2cccc(OCC)c2)CC1	ZINC000284321389	998998203	/nfs/dbraw/zinc/99/82/03/998998203.db2.gz	VOTOCYXKQXFTMR-UHFFFAOYSA-N	1	0	359.470	1.858	20	30		FDEDRO
Cc1ccc(C#N)c(NC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)n1	ZINC001066686275	999012909	/nfs/dbraw/zinc/01/29/09/999012909.db2.gz	MLARYUOECMBTIV-DJIMGWMZSA-N	1	0	357.458	1.241	20	30		FDEDRO
C=CCN1CC[C@@H](N2[C@@H]3CC[C@H]2[C@H](NC(=O)CC(C)(C)COC)C3)C1=O	ZINC001110851253	999036444	/nfs/dbraw/zinc/03/64/44/999036444.db2.gz	QBNSATRXRJVXSH-WCXIOVBPSA-N	1	0	363.502	1.558	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cc3ccccc3o1)C2	ZINC001110876044	999097008	/nfs/dbraw/zinc/09/70/08/999097008.db2.gz	XXFQJGJSSLGVEA-NXHRZFHOSA-N	1	0	365.433	1.446	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3ccnc3)nc1)C2	ZINC001110878230	999101209	/nfs/dbraw/zinc/10/12/09/999101209.db2.gz	GSDHMAUZRLGLLS-KURKYZTESA-N	1	0	367.453	1.805	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)c1	ZINC000266599746	999198163	/nfs/dbraw/zinc/19/81/63/999198163.db2.gz	DAUORVIUUXZXOV-UHFFFAOYSA-N	1	0	361.445	1.822	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2	ZINC000266708138	999217110	/nfs/dbraw/zinc/21/71/10/999217110.db2.gz	PZHDWNZYKNBZEH-HUBLWGQQSA-N	1	0	374.441	1.847	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000266751774	999226842	/nfs/dbraw/zinc/22/68/42/999226842.db2.gz	RZAAGKHSDYFWSA-HNNXBMFYSA-N	1	0	357.385	1.249	20	30		FDEDRO
COc1ccc(CNC(=O)CON=C(N)c2ccc(C[NH+](C)C)cc2)cc1	ZINC000267001838	999285906	/nfs/dbraw/zinc/28/59/06/999285906.db2.gz	HOFRIAFVAUOIPG-UHFFFAOYSA-N	1	0	370.453	1.710	20	30		FDEDRO
CN(C)c1ccc(CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)cn1	ZINC000268070097	999423282	/nfs/dbraw/zinc/42/32/82/999423282.db2.gz	JNILDAHHLDEJHR-OAHLLOKOSA-N	1	0	374.489	1.528	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1	ZINC000273968774	999735040	/nfs/dbraw/zinc/73/50/40/999735040.db2.gz	GMXLUOWHYLBCHC-CYBMUJFWSA-N	1	0	372.429	1.674	20	30		FDEDRO
C=CCn1c(-c2cccnc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000283567698	999757259	/nfs/dbraw/zinc/75/72/59/999757259.db2.gz	RDJWJYSMILSBMP-MRXNPFEDSA-N	1	0	354.458	1.685	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@H](C)c1cnn(C)c1)C(C)C	ZINC000284084719	999776302	/nfs/dbraw/zinc/77/63/02/999776302.db2.gz	OQKLDRPFVZWLMQ-NVXWUHKLSA-N	1	0	361.490	1.412	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(NC(C)=O)cc2)CC1	ZINC000284412423	999827654	/nfs/dbraw/zinc/82/76/54/999827654.db2.gz	ROVZEFSLWLWTRO-UHFFFAOYSA-N	1	0	358.442	1.028	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc([C@H](C)O)cc2)CC1	ZINC000285210401	999904781	/nfs/dbraw/zinc/90/47/81/999904781.db2.gz	RIGZGFIGLQSPIT-HNNXBMFYSA-N	1	0	359.470	1.513	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)CC1	ZINC000286169623	999942637	/nfs/dbraw/zinc/94/26/37/999942637.db2.gz	HTUKUYVFQRXFHK-CRAIPNDOSA-N	1	0	374.489	1.032	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc3c(n2)CCCC3)CC1	ZINC000286626801	999945535	/nfs/dbraw/zinc/94/55/35/999945535.db2.gz	MDAFQZONIXMMCA-UHFFFAOYSA-N	1	0	356.470	1.343	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)NCCn2cnc(C#N)n2)C[N@@H+]1Cc1ccccc1	ZINC000286700675	999946472	/nfs/dbraw/zinc/94/64/72/999946472.db2.gz	DTNGOYGRIOCYSR-GDBMZVCRSA-N	1	0	353.430	1.112	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2cccnc2OCCC)CC1	ZINC000286836196	999952516	/nfs/dbraw/zinc/95/25/16/999952516.db2.gz	SAUSXTHOVZZONP-UHFFFAOYSA-N	1	0	360.458	1.253	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000287385812	999957340	/nfs/dbraw/zinc/95/73/40/999957340.db2.gz	BNUYNHRSMNMBGO-GOSISDBHSA-N	1	0	359.470	1.476	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2ccncc2OC[C@@H]2CCOC2)CC1	ZINC000287486393	999958225	/nfs/dbraw/zinc/95/82/25/999958225.db2.gz	DBDVFHBZUYVJQP-MRXNPFEDSA-N	1	0	374.485	1.947	20	30		FDEDRO
CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N(C)[C@H](C)CC#N)c1	ZINC000287809861	999962369	/nfs/dbraw/zinc/96/23/69/999962369.db2.gz	OYLUYEBXMLAMEN-CQSZACIVSA-N	1	0	373.457	1.666	20	30		FDEDRO
C[NH+](C)CCN(CCCc1ccccc1)C(=O)NCCn1cnc(C#N)n1	ZINC000287918134	999972395	/nfs/dbraw/zinc/97/23/95/999972395.db2.gz	QUBNSJHTFHKPCJ-UHFFFAOYSA-N	1	0	369.473	1.356	20	30		FDEDRO
N#CCC(=O)N1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1	ZINC000288016283	999982914	/nfs/dbraw/zinc/98/29/14/999982914.db2.gz	BTIAITTZWUTFJL-GOSISDBHSA-N	1	0	354.454	1.626	20	30		FDEDRO
C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000288346680	1000009904	/nfs/dbraw/zinc/00/99/04/1000009904.db2.gz	YYXJSXRIRJIXGB-YOEHRIQHSA-N	1	0	352.438	1.533	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N1CCC(Oc2ccncc2C)CC1	ZINC000289380883	1000095195	/nfs/dbraw/zinc/09/51/95/1000095195.db2.gz	KNMHWWLAGBBRLU-UHFFFAOYSA-N	1	0	361.442	1.469	20	30		FDEDRO
C#Cc1ccccc1CC(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1	ZINC000290277900	1000129616	/nfs/dbraw/zinc/12/96/16/1000129616.db2.gz	QGODZNITSNWLEW-UHFFFAOYSA-N	1	0	363.461	1.818	20	30		FDEDRO
C[C@H](NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)C1=CC[N@H+](C)CC1	ZINC000292386255	1000236290	/nfs/dbraw/zinc/23/62/90/1000236290.db2.gz	RXACKUWAFUJVAK-WMLDXEAASA-N	1	0	355.442	1.766	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCC(C)C	ZINC001110928942	1001008148	/nfs/dbraw/zinc/00/81/48/1001008148.db2.gz	LWNMSYCRZNJNAW-HCXYKTFWSA-N	1	0	350.503	1.935	20	30		FDEDRO
C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000927814760	1001075602	/nfs/dbraw/zinc/07/56/02/1001075602.db2.gz	CSRDERJARLPHRR-KOLCDFICSA-N	1	0	365.231	1.231	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1	ZINC000927843001	1001100176	/nfs/dbraw/zinc/10/01/76/1001100176.db2.gz	UQSWGCOMNDOIPG-CHWSQXEVSA-N	1	0	354.332	1.543	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)ccc1Cl	ZINC000927845914	1001107429	/nfs/dbraw/zinc/10/74/29/1001107429.db2.gz	AIGNPVNTMBMHPU-ZYHUDNBSSA-N	1	0	374.750	1.888	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]CC3)CC2)n1	ZINC000927895880	1001200965	/nfs/dbraw/zinc/20/09/65/1001200965.db2.gz	QZOZJWHWMUBDQJ-OAHLLOKOSA-N	1	0	369.469	1.714	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H](Cc2cccc(F)c2)n2nnnc2C)CC1	ZINC000928657631	1001613265	/nfs/dbraw/zinc/61/32/65/1001613265.db2.gz	QOGCFMWPJJTFMN-SFHVURJKSA-N	1	0	370.432	1.118	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CCCN2c2ncnc3ccccc32)CC1	ZINC000928659173	1001614447	/nfs/dbraw/zinc/61/44/47/1001614447.db2.gz	GOIHCLHDFNPMRP-IBGZPJMESA-N	1	0	363.465	1.812	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)CC1	ZINC000928659304	1001615317	/nfs/dbraw/zinc/61/53/17/1001615317.db2.gz	KMFXSDNZWPJDDN-UHFFFAOYSA-N	1	0	358.467	1.289	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2nn3c(c2Br)CCC3)CC1	ZINC000928660624	1001615849	/nfs/dbraw/zinc/61/58/49/1001615849.db2.gz	SMNXWCSLWBWPNE-UHFFFAOYSA-N	1	0	351.248	1.419	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CNC(=O)c2ccc(OCCCC)cc2)CC1	ZINC000928661118	1001615902	/nfs/dbraw/zinc/61/59/02/1001615902.db2.gz	OFPFWHYMIXYETJ-UHFFFAOYSA-N	1	0	371.481	1.809	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H](O)c2cccc(Br)c2)CC1	ZINC000928661259	1001615994	/nfs/dbraw/zinc/61/59/94/1001615994.db2.gz	ZDUJACPQZQPUHA-HNNXBMFYSA-N	1	0	351.244	1.696	20	30		FDEDRO
C[N@H+](CC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1)[C@@H]1CCSC1	ZINC000928718397	1001635411	/nfs/dbraw/zinc/63/54/11/1001635411.db2.gz	AKYXFVCHVVZWQI-JKSUJKDBSA-N	1	0	359.499	1.793	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1	ZINC000928720609	1001636480	/nfs/dbraw/zinc/63/64/80/1001636480.db2.gz	WMCWLDIHSXSAQS-RDJZCZTQSA-N	1	0	357.458	1.324	20	30		FDEDRO
C[NH+](C)CCn1nccc1C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1	ZINC000928721785	1001637449	/nfs/dbraw/zinc/63/74/49/1001637449.db2.gz	ORBYELWRIBVZAG-MRXNPFEDSA-N	1	0	367.457	1.428	20	30		FDEDRO
N#Cc1ccc(N2CC[NH+](C[C@H](O)CC[C@@H](O)c3ccccc3)CC2)nc1	ZINC000929327909	1001940113	/nfs/dbraw/zinc/94/01/13/1001940113.db2.gz	PCGGSDGCOGWMNT-WOJBJXKFSA-N	1	0	366.465	1.950	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1ccc([C@@H]2C[C@H]2C)o1)C1CC[NH+](C)CC1	ZINC000929379805	1001982112	/nfs/dbraw/zinc/98/21/12/1001982112.db2.gz	HMQUOWYSDTWMIR-RHSMWYFYSA-N	1	0	357.454	1.575	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2	ZINC001110976215	1002315460	/nfs/dbraw/zinc/31/54/60/1002315460.db2.gz	HJSLGMTVFCMYQT-QRVBRYPASA-N	1	0	374.529	1.250	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)c1c[nH+]ccc1N(C)C	ZINC000948454381	1002358440	/nfs/dbraw/zinc/35/84/40/1002358440.db2.gz	NEAYOVHTVJIMIJ-MLGOLLRUSA-N	1	0	366.425	1.238	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)CC[N@@H+]1C	ZINC000948459363	1002365355	/nfs/dbraw/zinc/36/53/55/1002365355.db2.gz	ASEGCFIERDKZIW-JWZBEHFJSA-N	1	0	357.458	1.193	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1	ZINC000948459854	1002366657	/nfs/dbraw/zinc/36/66/57/1002366657.db2.gz	ZXSIXLQWLBLDMX-CZUORRHYSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(NC(=O)C[N@H+]2CCC(C)(C)C2)CC1	ZINC000948475460	1002381094	/nfs/dbraw/zinc/38/10/94/1002381094.db2.gz	MPXRUZRWKPCHKR-SJORKVTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1	ZINC000948546668	1002445808	/nfs/dbraw/zinc/44/58/08/1002445808.db2.gz	FIEFSMSNGGMIJB-MCIONIFRSA-N	1	0	350.381	1.832	20	30		FDEDRO
C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#Cc1ccc(F)cc1	ZINC001111277327	1002471627	/nfs/dbraw/zinc/47/16/27/1002471627.db2.gz	MBRSUROKEWQTHV-AQNXPRMDSA-N	1	0	373.472	1.477	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccc(C)cc2OCC(=O)N(C)C)CC1	ZINC000929939214	1002622801	/nfs/dbraw/zinc/62/28/01/1002622801.db2.gz	ZFUBCDQSVFVTAR-UHFFFAOYSA-N	1	0	372.469	1.681	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@]2(c3ccccc3)CCCO2)CC1	ZINC000930007200	1002729914	/nfs/dbraw/zinc/72/99/14/1002729914.db2.gz	LFYOIZGCMYBTMX-NRFANRHFSA-N	1	0	371.481	1.575	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C2CC2)[C@@H]2CCCOC2)CC1	ZINC000930011149	1002734199	/nfs/dbraw/zinc/73/41/99/1002734199.db2.gz	XPWZHDXQPYAODG-SJLPKXTDSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](c2ccccn2)C2CC2)CC1	ZINC000930010826	1002734313	/nfs/dbraw/zinc/73/43/13/1002734313.db2.gz	UUOWBYSBRKORTG-GOSISDBHSA-N	1	0	356.470	1.806	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H]1CCc2ccc(C)cc21)C1CC[NH+](C)CC1	ZINC000930031145	1002750083	/nfs/dbraw/zinc/75/00/83/1002750083.db2.gz	HCGGBAKBKHTDGG-LJQANCHMSA-N	1	0	353.466	1.655	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCC(C)(C)c1ccncc1)C1CC[NH+](C)CC1	ZINC000930118336	1002837493	/nfs/dbraw/zinc/83/74/93/1002837493.db2.gz	CZTSAFLRAQHLMC-UHFFFAOYSA-N	1	0	356.470	1.031	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H](c1ncccc1C)C(C)C)C1CC[NH+](C)CC1	ZINC000930128528	1002853044	/nfs/dbraw/zinc/85/30/44/1002853044.db2.gz	FIWMZGCVYOKHTP-SFHVURJKSA-N	1	0	370.497	1.759	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1	ZINC000930152748	1002883504	/nfs/dbraw/zinc/88/35/04/1002883504.db2.gz	JQLHDQYWWTXLII-UHFFFAOYSA-N	1	0	360.433	1.457	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1	ZINC000949018101	1002937172	/nfs/dbraw/zinc/93/71/72/1002937172.db2.gz	WGCWOGJNVXZJAL-KBRIMQKVSA-N	1	0	357.458	1.336	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)NC1CCC(C)([NH+]2CCCC2)CC1)[C@@H]1CCCO1	ZINC000930470152	1003174534	/nfs/dbraw/zinc/17/45/34/1003174534.db2.gz	MVRWZFLGSUUWQX-RXCRORICSA-N	1	0	361.486	1.197	20	30		FDEDRO
CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2cncc(C#N)c2)CC1	ZINC000930498157	1003210259	/nfs/dbraw/zinc/21/02/59/1003210259.db2.gz	WHBRANLPJZSKST-CQSZACIVSA-N	1	0	350.488	1.835	20	30		FDEDRO
CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C1	ZINC000930823877	1003551117	/nfs/dbraw/zinc/55/11/17/1003551117.db2.gz	XLSRQCLOAQJRAW-DTWKUNHWSA-N	1	0	372.256	1.935	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC(C)C	ZINC001111291669	1003599925	/nfs/dbraw/zinc/59/99/25/1003599925.db2.gz	KONVLFKFSUCSCX-NXHRZFHOSA-N	1	0	357.454	1.854	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCCC1(CSC)CC1)C1CC[NH+](C)CC1	ZINC000930964782	1003724792	/nfs/dbraw/zinc/72/47/92/1003724792.db2.gz	IOPVJFOTJRSSQU-UHFFFAOYSA-N	1	0	351.516	1.192	20	30		FDEDRO
COc1cc(=O)[nH]cc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000930978802	1003735938	/nfs/dbraw/zinc/73/59/38/1003735938.db2.gz	DKSGANNGXAYFMS-UHFFFAOYSA-N	1	0	354.410	1.871	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000931101076	1003885516	/nfs/dbraw/zinc/88/55/16/1003885516.db2.gz	AZOPVKBJEQSDOX-HOTGVXAUSA-N	1	0	351.491	1.153	20	30		FDEDRO
C#CC1(O)CCN(CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)CC1	ZINC000931144804	1003922208	/nfs/dbraw/zinc/92/22/08/1003922208.db2.gz	FNTNHKPLTGJLIB-UHFFFAOYSA-N	1	0	369.509	1.489	20	30		FDEDRO
Cn1[nH]c(=O)c2c1C[N@H+](CCC(=O)Nc1sc3c(c1C#N)CCC3)CC2	ZINC000931195791	1003950813	/nfs/dbraw/zinc/95/08/13/1003950813.db2.gz	COVXUGQNLORYBW-UHFFFAOYSA-N	1	0	371.466	1.934	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccc(F)c(C(=O)OC)c2F)CC1	ZINC000931501479	1004221018	/nfs/dbraw/zinc/22/10/18/1004221018.db2.gz	XTANCGJCGGPORP-UHFFFAOYSA-N	1	0	351.353	1.971	20	30		FDEDRO
N#Cc1sc(NC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)nc1Cl	ZINC000931725278	1004448562	/nfs/dbraw/zinc/44/85/62/1004448562.db2.gz	RRSLIYRQRIGOGP-VHSXEESVSA-N	1	0	355.851	1.731	20	30		FDEDRO
C#CC[N@H+](C[C@H](O)C1(O)CCC1)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000931740384	1004461755	/nfs/dbraw/zinc/46/17/55/1004461755.db2.gz	BFRRFCCSJHAFHA-INIZCTEOSA-N	1	0	352.475	1.597	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CCC(C)C)nn1)C2	ZINC001111016487	1004488343	/nfs/dbraw/zinc/48/83/43/1004488343.db2.gz	KRQIBIPYVJPNLL-NUJGCVRESA-N	1	0	361.490	1.862	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N[C@@H]1CCCN2CCSC[C@@H]12	ZINC000931820254	1004516829	/nfs/dbraw/zinc/51/68/29/1004516829.db2.gz	RKYVNPLXOKPHGO-CVEARBPZSA-N	1	0	353.532	1.887	20	30		FDEDRO
CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](C[C@H](O)COc3ccc(CC#N)cc3)C[C@@H]21	ZINC000932057238	1004742741	/nfs/dbraw/zinc/74/27/41/1004742741.db2.gz	OHRVNLSUQSLDJJ-WZGPROSRSA-N	1	0	358.438	1.623	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)Cn2cnc(-c3ccccc3)cc2=O)CC1	ZINC000932179061	1004810924	/nfs/dbraw/zinc/81/09/24/1004810924.db2.gz	XGGDHYJXXFXSPV-UHFFFAOYSA-N	1	0	351.410	1.014	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)cc1C#N	ZINC000932476169	1004979076	/nfs/dbraw/zinc/97/90/76/1004979076.db2.gz	XCFGMXNRIICLAN-UHFFFAOYSA-N	1	0	368.437	1.666	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1C#N	ZINC000932476846	1004979127	/nfs/dbraw/zinc/97/91/27/1004979127.db2.gz	MQWGBKYVYHEXDQ-GOSISDBHSA-N	1	0	354.454	1.570	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1OCC[C@H]1C)C2	ZINC001111038731	1005091350	/nfs/dbraw/zinc/09/13/50/1005091350.db2.gz	LBWCNDUGMXSNSY-RXYDEIHYSA-N	1	0	361.486	1.334	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(C[NH+](C)C)CC2)c1	ZINC000932711786	1005115848	/nfs/dbraw/zinc/11/58/48/1005115848.db2.gz	KKBOFUJHURDTQV-UHFFFAOYSA-N	1	0	362.495	1.897	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H](CC#N)C(F)(F)F)C1	ZINC000932914526	1005242037	/nfs/dbraw/zinc/24/20/37/1005242037.db2.gz	CJTZNMBUXZITGF-CHWSQXEVSA-N	1	0	350.385	1.973	20	30		FDEDRO
C#CCN(C(=O)C(=O)NC[C@H]1CC(C)(C)OC1(C)C)C1CC[NH+](C)CC1	ZINC000932952394	1005271619	/nfs/dbraw/zinc/27/16/19/1005271619.db2.gz	VDSDQWNYFSMPPE-OAHLLOKOSA-N	1	0	363.502	1.252	20	30		FDEDRO
CC(C)(C)OC(=O)NCC[C@H](O)C[NH+]1CCC2(CC1)CC(=O)C=CO2	ZINC000933648332	1005598174	/nfs/dbraw/zinc/59/81/74/1005598174.db2.gz	XTDITGHMUQNBHC-HNNXBMFYSA-N	1	0	354.447	1.600	20	30		FDEDRO
O=C(CC[NH+]1CCC2(CC1)CC(=O)C=CO2)NC(=O)NCc1ccccc1	ZINC000933652356	1005599318	/nfs/dbraw/zinc/59/93/18/1005599318.db2.gz	HKKYBDXFSSCOKB-UHFFFAOYSA-N	1	0	371.437	1.740	20	30		FDEDRO
Cn1cc([C@@H]2CSCCC[N@@H+]2C[C@H](O)CC2(C#N)CCOCC2)cn1	ZINC000933974849	1005669841	/nfs/dbraw/zinc/66/98/41/1005669841.db2.gz	XHBLTWAMAUTTEG-SJORKVTESA-N	1	0	364.515	1.971	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C2	ZINC001111068154	1005689078	/nfs/dbraw/zinc/68/90/78/1005689078.db2.gz	VFDGNTNQUUNEOD-FPCVCCKLSA-N	1	0	359.536	1.616	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CCOC23CCOCC3)c1	ZINC000934404445	1005741090	/nfs/dbraw/zinc/74/10/90/1005741090.db2.gz	RRMPAACUQMFFMD-MRXNPFEDSA-N	1	0	350.440	1.260	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1	ZINC000935311471	1005887771	/nfs/dbraw/zinc/88/77/71/1005887771.db2.gz	CLFDTKBTRIPYRA-UHFFFAOYSA-N	1	0	357.389	1.932	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cnc(C)nc1	ZINC001111107457	1006083564	/nfs/dbraw/zinc/08/35/64/1006083564.db2.gz	VMJKCUARMXIQJT-YRXWBPOGSA-N	1	0	371.485	1.477	20	30		FDEDRO
N#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(Cl)s1)C2	ZINC001111112557	1006229694	/nfs/dbraw/zinc/22/96/94/1006229694.db2.gz	TYNRWTSYPQZPFO-RTXFEEFZSA-N	1	0	366.874	1.305	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]ncc1Br)C2	ZINC001111159206	1006527776	/nfs/dbraw/zinc/52/77/76/1006527776.db2.gz	ZCQIPFPVUJLNGC-RTXFEEFZSA-N	1	0	369.263	1.710	20	30		FDEDRO
C[C@@H]1CCCC[C@H]1OCCNC(=O)CON=C(N)C[N@@H+]1CCCC[C@H]1C	ZINC000246215880	1006560402	/nfs/dbraw/zinc/56/04/02/1006560402.db2.gz	GLTJDUOQNLHKBN-BRWVUGGUSA-N	1	0	368.522	1.861	20	30		FDEDRO
C#CCN1CCN(C(=O)CN(Cc2ccc(O)c(OC)c2)C2CC2)CC1	ZINC000089972091	1006568357	/nfs/dbraw/zinc/56/83/57/1006568357.db2.gz	UHCKKVPYJPHTOH-UHFFFAOYSA-N	1	0	357.454	1.143	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CN(C(=O)C2([NH+](C)C)CCC2)C1	ZINC000954380546	1006651455	/nfs/dbraw/zinc/65/14/55/1006651455.db2.gz	FEOIHAFWMFEADW-IRXDYDNUSA-N	1	0	363.502	1.511	20	30		FDEDRO
C[C@H](O)C[C@H]1CCC[N@@H+]1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O	ZINC000155442554	1006683362	/nfs/dbraw/zinc/68/33/62/1006683362.db2.gz	SYYWKKGLNKRSSC-WMLDXEAASA-N	1	0	356.426	1.515	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1	ZINC000954404849	1006722671	/nfs/dbraw/zinc/72/26/71/1006722671.db2.gz	PGQBPMIHASARGY-ONIAQPFYSA-N	1	0	363.502	1.367	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@H]3C3CCC3)C2)CC1	ZINC000954500699	1006820858	/nfs/dbraw/zinc/82/08/58/1006820858.db2.gz	ASRVVPIRLGFLKA-RBUKOAKNSA-N	1	0	357.498	1.437	20	30		FDEDRO
C=CCN1CC[C@H](n2cc(-c3cccc(NC(=O)C[NH2+]C)c3)nn2)C1=O	ZINC000641110101	1006970758	/nfs/dbraw/zinc/97/07/58/1006970758.db2.gz	YIIBYPXBJZRSFV-INIZCTEOSA-N	1	0	354.414	1.062	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COc1ccccc1	ZINC001111487457	1006991243	/nfs/dbraw/zinc/99/12/43/1006991243.db2.gz	QHEWSEFJHOAODS-BWPNAZKDSA-N	1	0	374.481	1.741	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1	ZINC000778978545	1007093642	/nfs/dbraw/zinc/09/36/42/1007093642.db2.gz	PXPKDUIYFPPZRE-OLZOCXBDSA-N	1	0	354.451	1.233	20	30		FDEDRO
Cn1cc(CN2CC[NH+](CCCCO)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000779017374	1007142633	/nfs/dbraw/zinc/14/26/33/1007142633.db2.gz	WIXPTAAQLCAQCC-UHFFFAOYSA-N	1	0	353.470	1.849	20	30		FDEDRO
Cn1ccc(=O)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(C#N)cc2)c1	ZINC001095738783	1007166997	/nfs/dbraw/zinc/16/69/97/1007166997.db2.gz	CKPJVVHTFIRDAV-NEWSRXKRSA-N	1	0	362.433	1.792	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@@H+](C)C[C@H](C)Cc2ccc(OC)cc2)CC1	ZINC000090619386	1007286786	/nfs/dbraw/zinc/28/67/86/1007286786.db2.gz	DULXTKNHKIYEQU-GOSISDBHSA-N	1	0	357.498	1.583	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCOC1CCOCC1)C2	ZINC001111261500	1007292460	/nfs/dbraw/zinc/29/24/60/1007292460.db2.gz	UMJJUROHWCWSMV-QRQLOZEOSA-N	1	0	366.502	1.886	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC(=O)NCCCOC)C2	ZINC001111262167	1007314425	/nfs/dbraw/zinc/31/44/25/1007314425.db2.gz	CVVRZMIXYLAJGD-TVFCKZIOSA-N	1	0	365.518	1.996	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3ccnn3)cc1)C2	ZINC001111270291	1007432958	/nfs/dbraw/zinc/43/29/58/1007432958.db2.gz	NDBAVDMRFABUPA-QRVBRYPASA-N	1	0	367.453	1.805	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC000956978066	1007436013	/nfs/dbraw/zinc/43/60/13/1007436013.db2.gz	KIZIRVPEUWXFQR-FSPWUOQZSA-N	1	0	369.469	1.337	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCN2C(=O)C[C@@H]2C[C@H]2C2CC2)CC1	ZINC000956142973	1007915351	/nfs/dbraw/zinc/91/53/51/1007915351.db2.gz	YOXCKZNLCDGILS-UFYCRDLUSA-N	1	0	371.525	1.875	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C)(NC(=O)C2CC[NH+](C)CC2)CC1	ZINC000956411201	1008125729	/nfs/dbraw/zinc/12/57/29/1008125729.db2.gz	JNOLEEVHIRBIHL-SJORKVTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CCc2c(C)nc3sccn3c2=O)CC1	ZINC000795880891	1008313455	/nfs/dbraw/zinc/31/34/55/1008313455.db2.gz	WJTNGDRZCHJPCX-UHFFFAOYSA-N	1	0	358.467	1.068	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C	ZINC000949947222	1008550243	/nfs/dbraw/zinc/55/02/43/1008550243.db2.gz	JTKBPJNEEYAFMQ-HZPDHXFCSA-N	1	0	358.486	1.735	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C	ZINC000190853639	1008745547	/nfs/dbraw/zinc/74/55/47/1008745547.db2.gz	CERVYRODTFCFJG-WBVHZDCISA-N	1	0	357.454	1.826	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)CC[NH+]1CCCCC1	ZINC000950218233	1008873426	/nfs/dbraw/zinc/87/34/26/1008873426.db2.gz	GBEKRJOZLOXBOU-LNLFQRSKSA-N	1	0	363.502	1.561	20	30		FDEDRO
COC1(CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)CCOCC1	ZINC000305224107	1008877377	/nfs/dbraw/zinc/87/73/77/1008877377.db2.gz	VBBWRCWUGJEZNS-CQSZACIVSA-N	1	0	368.478	1.063	20	30		FDEDRO
CNC(=O)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)CCC1	ZINC001111310869	1008956989	/nfs/dbraw/zinc/95/69/89/1008956989.db2.gz	ZVDSIWQGSJYHSQ-KURKYZTESA-N	1	0	366.465	1.696	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C	ZINC000649187435	1008966960	/nfs/dbraw/zinc/96/69/60/1008966960.db2.gz	QCLIZIYCZBLBRP-MRXNPFEDSA-N	1	0	367.453	1.068	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC000950256114	1008970660	/nfs/dbraw/zinc/97/06/60/1008970660.db2.gz	UDQBHPCZABJMQV-IXDOHACOSA-N	1	0	358.486	1.735	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)c1	ZINC000958714186	1008984696	/nfs/dbraw/zinc/98/46/96/1008984696.db2.gz	AWMMJHNEDZPXPT-LZQZEXGQSA-N	1	0	368.481	1.512	20	30		FDEDRO
C=C[C@H](O)C(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000646665791	1009024243	/nfs/dbraw/zinc/02/42/43/1009024243.db2.gz	QCLCMSDSSYXTRA-INIZCTEOSA-N	1	0	371.403	1.881	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2C[C@H]2CC(C)C)CC1	ZINC000950431942	1009165801	/nfs/dbraw/zinc/16/58/01/1009165801.db2.gz	KOIQMEWGQDHLFD-CEXWTWQISA-N	1	0	359.514	1.731	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1	ZINC000646954988	1009335805	/nfs/dbraw/zinc/33/58/05/1009335805.db2.gz	IAKZUBNSTGVXOM-LJQANCHMSA-N	1	0	371.481	1.748	20	30		FDEDRO
N#Cc1ccccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1coc(C(N)=O)c1)C2	ZINC001095809171	1009577817	/nfs/dbraw/zinc/57/78/17/1009577817.db2.gz	SCSGLSARXDVQNP-IKGGRYGDSA-N	1	0	364.405	1.785	20	30		FDEDRO
[NH2+]=C(NCCNC(=O)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1	ZINC000303791617	1009585456	/nfs/dbraw/zinc/58/54/56/1009585456.db2.gz	XUQHHVZZOGNADV-UHFFFAOYSA-N	1	0	369.444	1.692	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH+]1CCC(Nc2cc(C)ncn2)CC1	ZINC001111321401	1009599720	/nfs/dbraw/zinc/59/97/20/1009599720.db2.gz	MCKORHWAIJXLRB-SJORKVTESA-N	1	0	359.474	1.369	20	30		FDEDRO
Cc1nc(NC2CC[NH+](CCNC(=O)[C@]34C[C@H]3COC4)CC2)ccc1C#N	ZINC001111323428	1009610765	/nfs/dbraw/zinc/61/07/65/1009610765.db2.gz	AYKTUTQQIKFVND-JXFKEZNVSA-N	1	0	369.469	1.291	20	30		FDEDRO
CC[C@@H]1OCC[C@H]1C(=O)NCC[NH+]1CCC(Nc2ccc(C#N)cn2)CC1	ZINC001111331449	1009679469	/nfs/dbraw/zinc/67/94/69/1009679469.db2.gz	LDRTWFNQRUSANT-MSOLQXFVSA-N	1	0	371.485	1.761	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@H]2C1	ZINC000960462115	1010225703	/nfs/dbraw/zinc/22/57/03/1010225703.db2.gz	KTGRPBHSZSMYCF-VVLHAWIVSA-N	1	0	363.502	1.367	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)c1	ZINC000950995845	1010263476	/nfs/dbraw/zinc/26/34/76/1010263476.db2.gz	ACXREMHOWFJXHA-GBESFXJTSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)c3ccco3)C[C@H]2C)CC1	ZINC000959642421	1010285356	/nfs/dbraw/zinc/28/53/56/1010285356.db2.gz	KOLZIGZZVHHFPW-SOLBZPMBSA-N	1	0	371.481	1.691	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@H]2OCCN(C(=O)C[N@H+](C)C3CCC3)[C@H]2C1	ZINC000960535987	1010342292	/nfs/dbraw/zinc/34/22/92/1010342292.db2.gz	UGVUCFLQKYEONP-SQGPQFPESA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2OCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]2C1	ZINC000960569757	1010391584	/nfs/dbraw/zinc/39/15/84/1010391584.db2.gz	PLWQGQNUOKOQFC-QLFBSQMISA-N	1	0	371.909	1.544	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1	ZINC000951078579	1010428818	/nfs/dbraw/zinc/42/88/18/1010428818.db2.gz	CQBDCRDBRMCOGQ-KURKYZTESA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1	ZINC000951112937	1010465360	/nfs/dbraw/zinc/46/53/60/1010465360.db2.gz	IKYDQDJEAZAASR-NXHRZFHOSA-N	1	0	371.481	1.922	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1	ZINC000960659525	1010557078	/nfs/dbraw/zinc/55/70/78/1010557078.db2.gz	VJFUCKCKMBVRIV-FRQCXROJSA-N	1	0	361.486	1.123	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1	ZINC000951256004	1010654714	/nfs/dbraw/zinc/65/47/14/1010654714.db2.gz	WCPGBDCOXOFZJJ-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1occc1C[NH+](C)C	ZINC000951849974	1011116436	/nfs/dbraw/zinc/11/64/36/1011116436.db2.gz	KYNBOANNWSFAJS-OAGGEKHMSA-N	1	0	361.442	1.263	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccn2c[nH+]cc2c1	ZINC000952172741	1011362623	/nfs/dbraw/zinc/36/26/23/1011362623.db2.gz	GSOVYWDEJJFNAQ-UAGQMJEPSA-N	1	0	354.410	1.256	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2CC(C)C)CC1	ZINC000952180413	1011398691	/nfs/dbraw/zinc/39/86/91/1011398691.db2.gz	PQSWCQBBBIDODG-CEXWTWQISA-N	1	0	359.514	1.731	20	30		FDEDRO
C=C1CCC(C(=O)N2CCO[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@@H]32)CC1	ZINC000960904813	1011659094	/nfs/dbraw/zinc/65/90/94/1011659094.db2.gz	IZVNIBRNAWCYIA-FGTMMUONSA-N	1	0	361.486	1.123	20	30		FDEDRO
C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1nc2ccccc2c(=O)n1CC#N	ZINC000796429954	1012068955	/nfs/dbraw/zinc/06/89/55/1012068955.db2.gz	QNIPYZLYFUHSJV-JKSUJKDBSA-N	1	0	351.454	1.979	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCc3ccc4c(c3)CCO4)C[C@H]21	ZINC000961831401	1012904218	/nfs/dbraw/zinc/90/42/18/1012904218.db2.gz	HQHPRNNJAQIEHF-AGRFSFNASA-N	1	0	368.477	1.802	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2nnc(CC)n2C)C1	ZINC000961847636	1012936196	/nfs/dbraw/zinc/93/61/96/1012936196.db2.gz	FLPAYCCTYCSCRB-FJBKBRRZSA-N	1	0	361.490	1.343	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000953974202	1012993753	/nfs/dbraw/zinc/99/37/53/1012993753.db2.gz	RPOHDUVKMWHWAK-KSZLIROESA-N	1	0	363.502	1.511	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CCSC1	ZINC000506729240	538905790	/nfs/dbraw/zinc/90/57/90/538905790.db2.gz	DRXSUCFLKLMAAX-SJORKVTESA-N	1	0	355.504	1.802	20	30		FDEDRO
Cn1cc(C[NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)cc1C#N	ZINC000190801676	178024682	/nfs/dbraw/zinc/02/46/82/178024682.db2.gz	JRBDQUWXERSEKL-UHFFFAOYSA-N	1	0	352.438	1.886	20	30		FDEDRO
COc1cc(OC)cc(N2CC[C@@H]([NH2+]Cc3cc(C#N)n(C)c3)C2=O)c1	ZINC000191276126	178049769	/nfs/dbraw/zinc/04/97/69/178049769.db2.gz	GKZPUEGIBMPOCQ-GOSISDBHSA-N	1	0	354.410	1.809	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)[C@H]3COCCN3C3CCCC3)CC2)nc1	ZINC000192834571	178135604	/nfs/dbraw/zinc/13/56/04/178135604.db2.gz	AUJJUWDJYNMAAK-GOSISDBHSA-N	1	0	369.469	1.245	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000193029082	178143642	/nfs/dbraw/zinc/14/36/42/178143642.db2.gz	WBZXUVHMEJEWOA-UHFFFAOYSA-N	1	0	363.462	1.138	20	30		FDEDRO
C=CCNC(=O)CN1CC[NH+](C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1	ZINC000513961054	539009612	/nfs/dbraw/zinc/00/96/12/539009612.db2.gz	USXNELWBSKCDMT-GOSISDBHSA-N	1	0	370.497	1.069	20	30		FDEDRO
COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1	ZINC000513393758	538994625	/nfs/dbraw/zinc/99/46/25/538994625.db2.gz	DHKWHPMLVFTJHY-GOEBONIOSA-N	1	0	358.442	1.360	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)NC1CCC(N2CC[NH2+]CC2)CC1	ZINC000514719442	539017166	/nfs/dbraw/zinc/01/71/66/539017166.db2.gz	YPLGUQCXNFBWLK-UHFFFAOYSA-N	1	0	357.458	1.905	20	30		FDEDRO
C[NH+](C)C/C=C/C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000264662924	179161075	/nfs/dbraw/zinc/16/10/75/179161075.db2.gz	WFVURPIRXIFIHL-YRNVUSSQSA-N	1	0	352.442	1.493	20	30		FDEDRO
COc1cc(C#N)ccc1OCCCC(=O)NC[C@H]1C[N@H+](C)CCN1C	ZINC000264778989	179197622	/nfs/dbraw/zinc/19/76/22/179197622.db2.gz	WJEJSXFYKNSUHN-INIZCTEOSA-N	1	0	360.458	1.088	20	30		FDEDRO
C[NH+](C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cccc(C#N)c1	ZINC000522967273	539589976	/nfs/dbraw/zinc/58/99/76/539589976.db2.gz	VDZJKVFFUHADEQ-UHFFFAOYSA-N	1	0	367.471	1.452	20	30		FDEDRO
CC(C)OCCOC[C@@H](O)C[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000265279108	179328354	/nfs/dbraw/zinc/32/83/54/179328354.db2.gz	WOHYKBOCQRBWKM-ZWKOTPCHSA-N	1	0	366.458	1.032	20	30		FDEDRO
CCO[C@@H]1C[C@@H](O)C12CC[NH+](C[C@H](O)COc1ccccc1C#N)CC2	ZINC000528390182	539755051	/nfs/dbraw/zinc/75/50/51/539755051.db2.gz	WFFSTEQTMGAIDW-QXAKKESOSA-N	1	0	360.454	1.550	20	30		FDEDRO
COc1cc(C#N)ccc1OCCN1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000268426478	180078908	/nfs/dbraw/zinc/07/89/08/180078908.db2.gz	DTMNMEJPNZEEFW-UHFFFAOYSA-N	1	0	360.458	1.042	20	30		FDEDRO
CC1(C)C(=O)N[C@@H]1C1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1	ZINC000528514032	539765070	/nfs/dbraw/zinc/76/50/70/539765070.db2.gz	IXNYYPMCOJYUSZ-SJLPKXTDSA-N	1	0	357.454	1.535	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1	ZINC000528476340	539760428	/nfs/dbraw/zinc/76/04/28/539760428.db2.gz	MULVHVKZDKNYJY-LZWOXQAQSA-N	1	0	358.360	1.933	20	30		FDEDRO
CC[C@H](C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)[NH+](C)C	ZINC000268749530	180152571	/nfs/dbraw/zinc/15/25/71/180152571.db2.gz	UIUJIYHPPVLSGY-QGZVFWFLSA-N	1	0	372.448	1.854	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)CCSC1	ZINC000269059695	180207069	/nfs/dbraw/zinc/20/70/69/180207069.db2.gz	AYFUXCLTROVMIU-INIZCTEOSA-N	1	0	366.874	1.704	20	30		FDEDRO
CC1(N2CCOCC2)CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000528728824	539779870	/nfs/dbraw/zinc/77/98/70/539779870.db2.gz	LDLOBGWQKCKVIR-SFHVURJKSA-N	1	0	359.470	1.485	20	30		FDEDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)CCCC(=O)Nc1ccccc1C#N	ZINC000269297962	180267718	/nfs/dbraw/zinc/26/77/18/180267718.db2.gz	SJDSJYDLVSMPHM-INIZCTEOSA-N	1	0	357.458	1.029	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1	ZINC000271958129	180667290	/nfs/dbraw/zinc/66/72/90/180667290.db2.gz	FSERCRTVMMJZPY-UHFFFAOYSA-N	1	0	367.453	1.789	20	30		FDEDRO
CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCN(c2cccc(C#N)n2)CC1	ZINC000546891414	542252695	/nfs/dbraw/zinc/25/26/95/542252695.db2.gz	AQXVCHTUCWRVIZ-KRWDZBQOSA-N	1	0	358.490	1.761	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)CCCC1	ZINC000546893913	542253371	/nfs/dbraw/zinc/25/33/71/542253371.db2.gz	CXGUYLJOPSPSEH-UHFFFAOYSA-N	1	0	356.474	1.659	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)n(CCC#N)n1	ZINC000534503860	540374468	/nfs/dbraw/zinc/37/44/68/540374468.db2.gz	ZBHGKFWZAMFLHZ-MRXNPFEDSA-N	1	0	372.473	1.234	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1nnc(-c2cccc(C#N)c2)o1	ZINC000535547841	540482192	/nfs/dbraw/zinc/48/21/92/540482192.db2.gz	KZDMXZVAPNUJGC-UHFFFAOYSA-N	1	0	362.397	1.850	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH+]1CCC(OCCN2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000536933194	540661501	/nfs/dbraw/zinc/66/15/01/540661501.db2.gz	NILMWOVFPCSWHZ-BBWFWOEESA-N	1	0	353.507	1.267	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)CC[N@H+](C)C1CCN(C)CC1	ZINC000538132919	540814149	/nfs/dbraw/zinc/81/41/49/540814149.db2.gz	FJMIOMUPCAIZRL-VQIMIIECSA-N	1	0	351.539	1.387	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1	ZINC000538521655	540865876	/nfs/dbraw/zinc/86/58/76/540865876.db2.gz	IQVHJCOEHUYBIG-UHFFFAOYSA-N	1	0	352.479	1.011	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(OCC(F)F)ccn2)c1C#N	ZINC000540897346	541109474	/nfs/dbraw/zinc/10/94/74/541109474.db2.gz	FQKYNMLRPQWJDC-UHFFFAOYSA-N	1	0	364.356	1.725	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)C[C@@H]3CC=CCC3)CC2)o1	ZINC000543175952	541543097	/nfs/dbraw/zinc/54/30/97/541543097.db2.gz	MKJJXOTUWKHPOG-MRXNPFEDSA-N	1	0	357.458	1.791	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1	ZINC000543691343	541637138	/nfs/dbraw/zinc/63/71/38/541637138.db2.gz	QTUOVNQYVSEKSY-INIZCTEOSA-N	1	0	360.845	1.590	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NC[C@@H](O)CS(=O)(=O)c2cccs2)cc1	ZINC000269687331	674111885	/nfs/dbraw/zinc/11/18/85/674111885.db2.gz	ICARGSUZONNWDK-GFCCVEGCSA-N	1	0	369.468	1.318	20	30		FDEDRO
CC1CC[NH+](CCCNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC1	ZINC000543752717	541652693	/nfs/dbraw/zinc/65/26/93/541652693.db2.gz	CHBSYRZIQCWLRU-UHFFFAOYSA-N	1	0	361.494	1.560	20	30		FDEDRO
CCCN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CC(=O)N(C)C1=O	ZINC000282470358	182016832	/nfs/dbraw/zinc/01/68/32/182016832.db2.gz	KRRQZFDBDZJTRB-AWEZNQCLSA-N	1	0	353.382	1.578	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1ccco1	ZINC000283198050	182126534	/nfs/dbraw/zinc/12/65/34/182126534.db2.gz	SJAONAGFXGXIGK-UHFFFAOYSA-N	1	0	354.410	1.358	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1ccc(C#N)cc1	ZINC000283946148	182325801	/nfs/dbraw/zinc/32/58/01/182325801.db2.gz	KGNZAWVYHJKXLV-CRAIPNDOSA-N	1	0	354.454	1.822	20	30		FDEDRO
CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)CC2(C#N)CCCC2)CC1	ZINC000545361485	541946644	/nfs/dbraw/zinc/94/66/44/541946644.db2.gz	CVUOOFNSFWALLZ-INIZCTEOSA-N	1	0	356.536	1.263	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1	ZINC000284170523	182387257	/nfs/dbraw/zinc/38/72/57/182387257.db2.gz	SUPQWGRQVABFOJ-SFHVURJKSA-N	1	0	360.483	1.070	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccc(C#N)cc1	ZINC000284185715	182393292	/nfs/dbraw/zinc/39/32/92/182393292.db2.gz	ZUTUOTZMKXICHS-RDTXWAMCSA-N	1	0	354.454	1.869	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C	ZINC000284606672	182546939	/nfs/dbraw/zinc/54/69/39/182546939.db2.gz	XRNMLSIWXGFNGS-MRXNPFEDSA-N	1	0	370.478	1.997	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)CC2(C#N)CCCC2)C1	ZINC000546063764	542088404	/nfs/dbraw/zinc/08/84/04/542088404.db2.gz	NHEKWGCUZCAEPF-INIZCTEOSA-N	1	0	357.520	1.833	20	30		FDEDRO
CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(S(=O)(=O)c2cc(C#N)ccc2C)C1	ZINC000286482174	183078033	/nfs/dbraw/zinc/07/80/33/183078033.db2.gz	SKWZHFJTZXQTEF-IRXDYDNUSA-N	1	0	363.483	1.741	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1	ZINC000286693169	183129222	/nfs/dbraw/zinc/12/92/22/183129222.db2.gz	VZUANQYHGIPCKS-IIAWOOMASA-N	1	0	358.360	1.791	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](C(=O)NCC[N@@H+]3CCCOCC3)C2)c(F)c1	ZINC000286899440	183169189	/nfs/dbraw/zinc/16/91/89/183169189.db2.gz	OZWBEIAUBWXUAZ-MRXNPFEDSA-N	1	0	360.433	1.362	20	30		FDEDRO
C[NH+]1CCC(O)(CNC(=O)Nc2ccc(C#N)c(Br)c2)CC1	ZINC000287114244	183215720	/nfs/dbraw/zinc/21/57/20/183215720.db2.gz	FPUWJRKVFAGORP-UHFFFAOYSA-N	1	0	367.247	1.899	20	30		FDEDRO
C[C@@H](c1ccc(NC(=O)NCCn2cnc(C#N)n2)cc1)N1CCOCC1	ZINC000287372458	183275912	/nfs/dbraw/zinc/27/59/12/183275912.db2.gz	TUMFLKDYECUITL-AWEZNQCLSA-N	1	0	369.429	1.365	20	30		FDEDRO
CC[NH+]1CCN(c2cccc(NC(=O)NCCn3cnc(C#N)n3)c2)CC1	ZINC000287444058	183293616	/nfs/dbraw/zinc/29/36/16/183293616.db2.gz	GEAZAHWZUBXCKX-UHFFFAOYSA-N	1	0	368.445	1.113	20	30		FDEDRO
N#CC1(CS(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CCCC1	ZINC000546776875	542223599	/nfs/dbraw/zinc/22/35/99/542223599.db2.gz	KMYUHAZVDHGDQJ-DLBZAZTESA-N	1	0	369.531	1.758	20	30		FDEDRO
C[C@H]1CCC[N@H+](CCNC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1	ZINC000546924054	542261544	/nfs/dbraw/zinc/26/15/44/542261544.db2.gz	FQUJGJPMYLVGRT-INIZCTEOSA-N	1	0	356.474	1.517	20	30		FDEDRO
C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2cccc(C#Cc3ccccn3)c2)C1	ZINC000547281374	542298263	/nfs/dbraw/zinc/29/82/63/542298263.db2.gz	AQDCMIYSMWOCGY-HXUWFJFHSA-N	1	0	350.422	1.670	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1	ZINC000547312238	542309286	/nfs/dbraw/zinc/30/92/86/542309286.db2.gz	GYKVNBIZKIYWNQ-INIZCTEOSA-N	1	0	367.457	2.301	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCc2ccc(C#N)cc2)CC1	ZINC000171751339	258269344	/nfs/dbraw/zinc/26/93/44/258269344.db2.gz	YLKDTYZDOMLLPJ-LJQANCHMSA-N	1	0	355.486	1.870	20	30		FDEDRO
C=CCn1c([C@H]2COCCO2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1	ZINC000548850656	542791063	/nfs/dbraw/zinc/79/10/63/542791063.db2.gz	TXVVPPFSBZNPIT-IAGOWNOFSA-N	1	0	361.490	1.864	20	30		FDEDRO
Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000548916596	542805510	/nfs/dbraw/zinc/80/55/10/542805510.db2.gz	CSFZFDDTPOXRTD-INIZCTEOSA-N	1	0	352.442	1.512	20	30		FDEDRO
CCC(CC)(CCO)[NH2+]CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000549186783	542849151	/nfs/dbraw/zinc/84/91/51/542849151.db2.gz	TUZRZFYLIRSQJA-UHFFFAOYSA-N	1	0	363.462	1.034	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCC#Cc2cccc(F)c2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000549590044	542902790	/nfs/dbraw/zinc/90/27/90/542902790.db2.gz	DGXQZDIAICUWIB-XLIONFOSSA-N	1	0	372.488	1.845	20	30		FDEDRO
CC(C)(C)c1csc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)c1C#N	ZINC000550443056	543103649	/nfs/dbraw/zinc/10/36/49/543103649.db2.gz	MSGCMMRBTYRQHV-UHFFFAOYSA-N	1	0	371.466	1.901	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1	ZINC000550658616	543145258	/nfs/dbraw/zinc/14/52/58/543145258.db2.gz	FCCQQXLBXWFRKE-INIZCTEOSA-N	1	0	359.470	1.716	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(C#N)cc1	ZINC000550979916	543210514	/nfs/dbraw/zinc/21/05/14/543210514.db2.gz	UDXTUITTYQQYFZ-PBHICJAKSA-N	1	0	354.454	1.869	20	30		FDEDRO
C[NH+]1CCN(Cc2cccc(NCc3cnc4c(C#N)cnn4c3)c2)CC1	ZINC000552073986	543414700	/nfs/dbraw/zinc/41/47/00/543414700.db2.gz	YTCPUCMQJSDBSK-UHFFFAOYSA-N	1	0	361.453	1.960	20	30		FDEDRO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](C)C(=O)NCC[NH+](C)C	ZINC000552310706	543449555	/nfs/dbraw/zinc/44/95/55/543449555.db2.gz	GYAZYHRQDPBBKG-RHSMWYFYSA-N	1	0	360.458	1.144	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000552521600	543479871	/nfs/dbraw/zinc/47/98/71/543479871.db2.gz	NCAARNGRODASEQ-DOTOQJQBSA-N	1	0	361.511	1.659	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3cncc(O)c3)CC2)cc1	ZINC000552883290	543531528	/nfs/dbraw/zinc/53/15/28/543531528.db2.gz	WZPOPUVRDDJFOI-UHFFFAOYSA-N	1	0	350.422	1.936	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](CN2CCOCC2)C1	ZINC000069859252	172033873	/nfs/dbraw/zinc/03/38/73/172033873.db2.gz	QYANZXYDCFFIHN-KRWDZBQOSA-N	1	0	356.470	1.931	20	30		FDEDRO
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)n1	ZINC000091187909	172276412	/nfs/dbraw/zinc/27/64/12/172276412.db2.gz	XQZWSFFOLIWKDP-UHFFFAOYSA-N	1	0	374.489	1.874	20	30		FDEDRO
N#Cc1cccc(C[NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)c1	ZINC000102427064	172350243	/nfs/dbraw/zinc/35/02/43/172350243.db2.gz	BLGSWWWIPHSCAC-UHFFFAOYSA-N	1	0	350.426	1.177	20	30		FDEDRO
C[NH+]1CCC(CCNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1	ZINC000103314659	172364006	/nfs/dbraw/zinc/36/40/06/172364006.db2.gz	XUPNXCOLYVDTSK-UHFFFAOYSA-N	1	0	370.501	1.953	20	30		FDEDRO
CCCS(=O)(=O)NC1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1	ZINC000127069254	173063843	/nfs/dbraw/zinc/06/38/43/173063843.db2.gz	IYUVKEOERRLRBB-QGZVFWFLSA-N	1	0	351.472	1.385	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@H](CN4CCOCC4)C3)C2=O)cc1	ZINC000129677821	173146915	/nfs/dbraw/zinc/14/69/15/173146915.db2.gz	CSESUUJWTIWLSV-MJGOQNOKSA-N	1	0	354.454	1.318	20	30		FDEDRO
Cn1c(=O)c(C#N)c(N2CCC(CCC[NH+]3CCCC3)CC2)n(C)c1=O	ZINC000129666391	173147040	/nfs/dbraw/zinc/14/70/40/173147040.db2.gz	PHIUEZCUTWEFLG-UHFFFAOYSA-N	1	0	359.474	1.048	20	30		FDEDRO
COCC[NH+]1[C@H](C)CN([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@H]1C	ZINC000129868166	173153131	/nfs/dbraw/zinc/15/31/31/173153131.db2.gz	BQBGHVVJTAGVSL-IIAWOOMASA-N	1	0	362.499	1.766	20	30		FDEDRO
CCS(=O)(=O)NCCCN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000130264600	173164995	/nfs/dbraw/zinc/16/49/95/173164995.db2.gz	QCPAJWPXQCRLHB-UHFFFAOYSA-N	1	0	364.515	1.395	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC1	ZINC000133928197	173315312	/nfs/dbraw/zinc/31/53/12/173315312.db2.gz	OPQBHHLWNGSKAE-GASCZTMLSA-N	1	0	358.446	1.856	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[NH+]2CCC(N3CCCNC3=O)CC2)cc1	ZINC000135420063	173344445	/nfs/dbraw/zinc/34/44/45/173344445.db2.gz	RFDYTLKOQDPUSB-UHFFFAOYSA-N	1	0	355.442	1.767	20	30		FDEDRO
CCc1nnc(N2CCCN(CC(=O)N(CC)CC)CC2)c(C#N)c1CC	ZINC000136422813	173361266	/nfs/dbraw/zinc/36/12/66/173361266.db2.gz	VCPNXYPVSUDASP-UHFFFAOYSA-N	1	0	372.517	1.854	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2ccc(C#N)cc2)CC1	ZINC000136788773	173365287	/nfs/dbraw/zinc/36/52/87/173365287.db2.gz	FEHSYMRVWBLWMA-QGZVFWFLSA-N	1	0	355.442	1.006	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000141563983	173376583	/nfs/dbraw/zinc/37/65/83/173376583.db2.gz	UKEHQVDEAJVPRI-SFHVURJKSA-N	1	0	369.469	1.125	20	30		FDEDRO
C[NH+]1CCN(CCOc2ccc(NC(=O)c3cc(C#N)c[nH]3)cc2)CC1	ZINC000176075634	174049326	/nfs/dbraw/zinc/04/93/26/174049326.db2.gz	ZZGFOSODUFVYTK-UHFFFAOYSA-N	1	0	353.426	1.765	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1	ZINC000181473344	174227927	/nfs/dbraw/zinc/22/79/27/174227927.db2.gz	BDKMFPZTYNLLRK-SFHVURJKSA-N	1	0	371.462	1.603	20	30		FDEDRO
COCC[NH+]1CCC(N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000179995793	258361064	/nfs/dbraw/zinc/36/10/64/258361064.db2.gz	SQJFIHRURWGGOQ-LJQANCHMSA-N	1	0	356.470	1.754	20	30		FDEDRO
COC(=O)[C@H](O)C1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC000180277535	258365832	/nfs/dbraw/zinc/36/58/32/258365832.db2.gz	XTSPCIWMOWEUTO-LJQANCHMSA-N	1	0	368.437	1.705	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1	ZINC000553330295	543610431	/nfs/dbraw/zinc/61/04/31/543610431.db2.gz	DJOXXCLUDJCJAO-BRWVUGGUSA-N	1	0	361.486	1.217	20	30		FDEDRO
CC[C@@H](CNC(=O)NCCn1cnc(C#N)n1)[N@@H+]1CCc2ccccc2C1	ZINC000553395313	543626010	/nfs/dbraw/zinc/62/60/10/543626010.db2.gz	GKOAAEIOGLBALU-KRWDZBQOSA-N	1	0	367.457	1.286	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC2(CCOC)CCCC2)CC1	ZINC000553372051	543620841	/nfs/dbraw/zinc/62/08/41/543620841.db2.gz	DPBZRGKWFBJVEJ-UHFFFAOYSA-N	1	0	365.518	1.856	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](c2cccnc2)C2CC2)CC1	ZINC000553712696	543686236	/nfs/dbraw/zinc/68/62/36/543686236.db2.gz	UMLFXNYAACGKLA-GOSISDBHSA-N	1	0	356.470	1.806	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCOC[C@@H]2c2ccccc2)CC1	ZINC000553669659	543677883	/nfs/dbraw/zinc/67/78/83/543677883.db2.gz	YOALIKLEOREHSX-GOSISDBHSA-N	1	0	357.454	1.353	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@H](OCCCC)C2(C)C)CC1	ZINC000553669359	543677909	/nfs/dbraw/zinc/67/79/09/543677909.db2.gz	COESLIBQNGNIOM-SJORKVTESA-N	1	0	365.518	1.853	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@]2(C)CCCO)CC1	ZINC000553673704	543678582	/nfs/dbraw/zinc/67/85/82/543678582.db2.gz	AMQLRBCAPGHYDC-LJQANCHMSA-N	1	0	351.491	1.297	20	30		FDEDRO
C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCN1CCNC1=O	ZINC000554679969	543851102	/nfs/dbraw/zinc/85/11/02/543851102.db2.gz	GKOBUCRRKCRGFX-UHFFFAOYSA-N	1	0	364.519	1.610	20	30		FDEDRO
C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000555194507	543924389	/nfs/dbraw/zinc/92/43/89/543924389.db2.gz	NMCGGTQIWGZPJW-MRXNPFEDSA-N	1	0	358.490	1.763	20	30		FDEDRO
CN(C)C(=O)c1ccc(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)cc1	ZINC000555573769	543977837	/nfs/dbraw/zinc/97/78/37/543977837.db2.gz	AQUGJXQULCTZRF-SFHVURJKSA-N	1	0	353.422	1.790	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1	ZINC000555592354	543982569	/nfs/dbraw/zinc/98/25/69/543982569.db2.gz	OJMIVBZMQHEHGD-OALUTQOASA-N	1	0	372.469	1.576	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)Cc1ccccc1	ZINC000555815426	544035457	/nfs/dbraw/zinc/03/54/57/544035457.db2.gz	SCGKWIRZEGUYMP-MRXNPFEDSA-N	1	0	351.410	1.181	20	30		FDEDRO
CCC(CC)[C@@H](CNS(=O)(=O)CCC(C)(C)C#N)N1CCOCC1	ZINC000555947976	544061232	/nfs/dbraw/zinc/06/12/32/544061232.db2.gz	MSBISUWGVFURPK-MRXNPFEDSA-N	1	0	359.536	1.983	20	30		FDEDRO
C[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](O)[C@@H](N(C)CC(=O)OC(C)(C)C)C1	ZINC000556084065	544091154	/nfs/dbraw/zinc/09/11/54/544091154.db2.gz	HDZGTWZJHIIOHD-JCGIZDLHSA-N	1	0	359.470	1.938	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1	ZINC000556122651	544100616	/nfs/dbraw/zinc/10/06/16/544100616.db2.gz	HTSJJRCJPMVRPZ-SJLPKXTDSA-N	1	0	365.518	1.855	20	30		FDEDRO
N#Cc1ccsc1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000556160213	544108159	/nfs/dbraw/zinc/10/81/59/544108159.db2.gz	ZBGAFXUVFLDYDO-ZIAGYGMSSA-N	1	0	362.455	1.052	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N(C)[C@@H]1CCSC1)C(C)C	ZINC000556206615	544117647	/nfs/dbraw/zinc/11/76/47/544117647.db2.gz	MBAOQLQSTPHTSP-HZPDHXFCSA-N	1	0	353.532	1.765	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CC(C)(C)OC[C@@H]1C)C(C)C	ZINC000556209048	544118160	/nfs/dbraw/zinc/11/81/60/544118160.db2.gz	UJVCFMJCXFOWJL-IRXDYDNUSA-N	1	0	365.518	1.827	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)n2)c(F)c1	ZINC000557003714	544233020	/nfs/dbraw/zinc/23/30/20/544233020.db2.gz	RLROCCGKPHKSOE-OKILXGFUSA-N	1	0	354.389	2.241	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1	ZINC000557766459	544343695	/nfs/dbraw/zinc/34/36/95/544343695.db2.gz	GDNQRJLGBGFZES-GOSISDBHSA-N	1	0	372.469	1.134	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1	ZINC000558455463	544436859	/nfs/dbraw/zinc/43/68/59/544436859.db2.gz	NTGPCRUMCLONGO-MSOLQXFVSA-N	1	0	364.534	1.474	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000559491067	544704739	/nfs/dbraw/zinc/70/47/39/544704739.db2.gz	FPKIYKOOSPHODX-UHFFFAOYSA-N	1	0	365.437	1.483	20	30		FDEDRO
C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)C[C@@H](C)C1	ZINC000560151985	544897880	/nfs/dbraw/zinc/89/78/80/544897880.db2.gz	QAEUJWUWMGYPKV-MPGHIAIKSA-N	1	0	366.465	1.636	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1	ZINC000560342639	544965785	/nfs/dbraw/zinc/96/57/85/544965785.db2.gz	JMUCYOAEXAHCDT-ROUUACIJSA-N	1	0	350.422	1.627	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(c3ncccc3S(N)(=O)=O)CC2)cc1	ZINC000301157392	259021757	/nfs/dbraw/zinc/02/17/57/259021757.db2.gz	DJLFCLDCXKLSEU-UHFFFAOYSA-N	1	0	371.466	1.313	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@H]21	ZINC000329042660	259074035	/nfs/dbraw/zinc/07/40/35/259074035.db2.gz	TYMJNOOKBNQERY-SJORKVTESA-N	1	0	358.442	1.140	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2ccc(C#N)c(C)c2)CC1	ZINC000331271749	259184560	/nfs/dbraw/zinc/18/45/60/259184560.db2.gz	BSFZUKNHCGQMAD-OAHLLOKOSA-N	1	0	350.488	1.171	20	30		FDEDRO
CN(CC1CC[NH+](C)CC1)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000331862003	259224970	/nfs/dbraw/zinc/22/49/70/259224970.db2.gz	FRYHXPYBTTVQNR-UHFFFAOYSA-N	1	0	352.442	1.740	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1	ZINC000331908244	259227733	/nfs/dbraw/zinc/22/77/33/259227733.db2.gz	ANCGBLJYMROTBX-MJGOQNOKSA-N	1	0	370.497	1.954	20	30		FDEDRO
CN(C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCC[NH2+]CC1	ZINC000333479005	259352118	/nfs/dbraw/zinc/35/21/18/259352118.db2.gz	BFHXZBSQVPMUDZ-FUHWJXTLSA-N	1	0	369.469	1.837	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)C2=O)cc1	ZINC000333711450	259373089	/nfs/dbraw/zinc/37/30/89/259373089.db2.gz	FMLPVCGSNOLSNH-FGTMMUONSA-N	1	0	367.453	1.195	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)C(=O)Nc1ccc(C#N)cc1	ZINC000365339295	259834713	/nfs/dbraw/zinc/83/47/13/259834713.db2.gz	KSHPAWUVHSXEGS-ZTFGCOKTSA-N	1	0	370.453	1.502	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+]C3(C4CC4)CCOCC3)CC2)o1	ZINC000367564849	260062642	/nfs/dbraw/zinc/06/26/42/260062642.db2.gz	JUNMVPMVWHCPFY-UHFFFAOYSA-N	1	0	373.457	1.052	20	30		FDEDRO
C[N@H+](C[C@@H]1CC12CCN(C(=O)NCCn1cnc(C#N)n1)CC2)C1CC1	ZINC000367576155	260063832	/nfs/dbraw/zinc/06/38/32/260063832.db2.gz	OGLWRFJPDPVGTE-AWEZNQCLSA-N	1	0	357.462	1.056	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@H](C4CC4)C3)CC2)o1	ZINC000367986891	260119087	/nfs/dbraw/zinc/11/90/87/260119087.db2.gz	CFTHQSYJWOJDPA-INIZCTEOSA-N	1	0	357.458	1.625	20	30		FDEDRO
C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)[C@H]1COc2ccccc21	ZINC000368561808	260202921	/nfs/dbraw/zinc/20/29/21/260202921.db2.gz	NFFGQJMLADVVQF-XJKSGUPXSA-N	1	0	357.435	1.881	20	30		FDEDRO
COC(=O)c1cn([C@@H]2CC[N@H+](CCCOc3ccc(C#N)cc3)C2)nn1	ZINC000368854459	260248453	/nfs/dbraw/zinc/24/84/53/260248453.db2.gz	NXQIKMUEHAJQPA-OAHLLOKOSA-N	1	0	355.398	1.652	20	30		FDEDRO
CN(C)c1ncnc2c1CN(C[C@@H](O)COc1ccc(C#N)cc1)CC2	ZINC000369225617	260315768	/nfs/dbraw/zinc/31/57/68/260315768.db2.gz	JWAVBIHJEONZMF-OAHLLOKOSA-N	1	0	353.426	1.212	20	30		FDEDRO
C[C@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000369390254	260355957	/nfs/dbraw/zinc/35/59/57/260355957.db2.gz	YGUDMPYTDSTFPZ-CQSZACIVSA-N	1	0	370.432	1.973	20	30		FDEDRO
C[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc(C#N)nc2)[C@@H]1c1cccs1	ZINC000369539980	260386564	/nfs/dbraw/zinc/38/65/64/260386564.db2.gz	LGXBINRGOQSLQG-MLGOLLRUSA-N	1	0	362.480	1.986	20	30		FDEDRO
N#Cc1ccc(Cl)cc1N1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1	ZINC000372995214	260963257	/nfs/dbraw/zinc/96/32/57/260963257.db2.gz	IJCOURWPQFHYHG-OAHLLOKOSA-N	1	0	353.875	1.957	20	30		FDEDRO
C[C@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000373405997	261008084	/nfs/dbraw/zinc/00/80/84/261008084.db2.gz	PPOXKRAWXQCPBH-OAHLLOKOSA-N	1	0	364.453	1.760	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)o1	ZINC000373476268	261013753	/nfs/dbraw/zinc/01/37/53/261013753.db2.gz	VJUGOIYJPMNJGV-HZPDHXFCSA-N	1	0	373.457	1.051	20	30		FDEDRO
C[C@H]1CN(C(=O)CCc2ccc(C#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000374296804	261105812	/nfs/dbraw/zinc/10/58/12/261105812.db2.gz	OWNRHBKAQWRDTJ-PXNSSMCTSA-N	1	0	354.498	1.975	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)Nc2cnn(CC[NH+]3CCCCC3)c2)cc1	ZINC000374989680	261241358	/nfs/dbraw/zinc/24/13/58/261241358.db2.gz	KKRVCSAHZZYFHK-UHFFFAOYSA-N	1	0	366.425	1.818	20	30		FDEDRO
C[C@@H](C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)n1cnc(C#N)n1	ZINC000409679030	262132573	/nfs/dbraw/zinc/13/25/73/262132573.db2.gz	GBEDQSOAVKLYIF-HNNXBMFYSA-N	1	0	368.441	1.502	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)n1cnc(C#N)n1	ZINC000409713283	262136112	/nfs/dbraw/zinc/13/61/12/262136112.db2.gz	RLQZONWLMRZGOO-ZDUSSCGKSA-N	1	0	351.414	1.866	20	30		FDEDRO
CC[C@H]1CN(C(=O)[C@H](C)n2cnc(C#N)n2)CC[N@@H+]1Cc1ccccc1	ZINC000409927871	262146514	/nfs/dbraw/zinc/14/65/14/262146514.db2.gz	VGPPDVQPNRRXHQ-RDJZCZTQSA-N	1	0	352.442	1.834	20	30		FDEDRO
C[C@H](C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)n1cnc(C#N)n1	ZINC000409957242	262148407	/nfs/dbraw/zinc/14/84/07/262148407.db2.gz	PTPSONHKBWNXFO-DNVCBOLYSA-N	1	0	352.442	1.882	20	30		FDEDRO
COc1cccc(CN(CC[NH+](C)C)C(=O)[C@H](C)n2cnc(C#N)n2)c1	ZINC000409979945	262149250	/nfs/dbraw/zinc/14/92/50/262149250.db2.gz	YQRHQMIJGWYIKO-AWEZNQCLSA-N	1	0	356.430	1.310	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@@H]1[NH+](C)C	ZINC000270548269	674225958	/nfs/dbraw/zinc/22/59/58/674225958.db2.gz	GHCMFQDIOYSNKN-UONOGXRCSA-N	1	0	359.904	1.878	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C[C@H]21	ZINC000972086400	782046502	/nfs/dbraw/zinc/04/65/02/782046502.db2.gz	QCNUJUDBNLNRMS-MISYRCLQSA-N	1	0	369.509	1.866	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCCSC[C@@H]3C)CC2)o1	ZINC000934299380	782079135	/nfs/dbraw/zinc/07/91/35/782079135.db2.gz	GLMWJBIAXFMUBG-ZDUSSCGKSA-N	1	0	363.487	1.331	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@@H]1[NH+](C)C	ZINC000271099701	674309556	/nfs/dbraw/zinc/30/95/56/674309556.db2.gz	MRRMZIMAHKKVJE-STQMWFEESA-N	1	0	361.439	1.503	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cncc(N3CCCC3=O)c2)c1C#N	ZINC000600814695	491884420	/nfs/dbraw/zinc/88/44/20/491884420.db2.gz	JHEWXHSZPBGMRS-UHFFFAOYSA-N	1	0	367.413	1.207	20	30		FDEDRO
COCC[N@H+](C)CCN1C[C@@H](Nc2ccc(Cl)c(C#N)n2)CC1=O	ZINC000601177993	491898634	/nfs/dbraw/zinc/89/86/34/491898634.db2.gz	HGUXCFSDYWIZIR-LBPRGKRZSA-N	1	0	351.838	1.198	20	30		FDEDRO
CN1CCN(c2cc[nH+]c(NC(=O)CNc3ccc(C#N)cn3)c2)CC1	ZINC000601805290	491950174	/nfs/dbraw/zinc/95/01/74/491950174.db2.gz	NADOVJNJDYNDND-UHFFFAOYSA-N	1	0	351.414	1.151	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cnns2)C[C@H]1c1ccccc1	ZINC001211540491	782148689	/nfs/dbraw/zinc/14/86/89/782148689.db2.gz	WBARZQWJVWYJTO-JKSUJKDBSA-N	1	0	356.451	1.386	20	30		FDEDRO
C=CCNc1nnc(SCC(=O)NC2CC[NH+](C3CC3)CC2)s1	ZINC000022346082	518899091	/nfs/dbraw/zinc/89/90/91/518899091.db2.gz	JNNZQQSRBNPELQ-UHFFFAOYSA-N	1	0	353.517	1.971	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)NCc1ccc(C[NH+]2CCCCC2)cc1	ZINC000027962620	519207099	/nfs/dbraw/zinc/20/70/99/519207099.db2.gz	QDGKMGQSLKWTIA-UHFFFAOYSA-N	1	0	350.488	1.852	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)NCc1ccccc1C[NH+]1CCCCC1	ZINC000027963127	519207609	/nfs/dbraw/zinc/20/76/09/519207609.db2.gz	BELUQSCKKZUECH-UHFFFAOYSA-N	1	0	350.488	1.852	20	30		FDEDRO
CC(C)(C)NC(=O)NC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000028961189	519260364	/nfs/dbraw/zinc/26/03/64/519260364.db2.gz	CYAGPZUKJRPPLT-UHFFFAOYSA-N	1	0	371.485	1.690	20	30		FDEDRO
Cn1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1=O	ZINC000030572891	519378740	/nfs/dbraw/zinc/37/87/40/519378740.db2.gz	NHFZBTCFMGSDML-UHFFFAOYSA-N	1	0	350.422	1.605	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1ccc(NC(=O)COc2ccc(C#N)cc2)cc1	ZINC000031464486	519437223	/nfs/dbraw/zinc/43/72/23/519437223.db2.gz	YPJIMAPYWSJJRU-UHFFFAOYSA-N	1	0	366.421	1.867	20	30		FDEDRO
C[NH+]1CCN(C[C@@H](NS(=O)(=O)CCCCC#N)c2ccccc2)CC1	ZINC000068912328	521757283	/nfs/dbraw/zinc/75/72/83/521757283.db2.gz	KPIYBBQKPAKATL-GOSISDBHSA-N	1	0	364.515	1.588	20	30		FDEDRO
CC(C)C(=O)NCCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000043312876	521854369	/nfs/dbraw/zinc/85/43/69/521854369.db2.gz	GPMAWISHDRUIII-UHFFFAOYSA-N	1	0	371.485	1.548	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)CC1	ZINC000057154322	522015492	/nfs/dbraw/zinc/01/54/92/522015492.db2.gz	UAFYYZFZMDYKAB-FQEVSTJZSA-N	1	0	355.482	1.521	20	30		FDEDRO
CC1CC[NH+](CCCNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1	ZINC000045122411	522041263	/nfs/dbraw/zinc/04/12/63/522041263.db2.gz	LZTOVZQATDSSAP-UHFFFAOYSA-N	1	0	370.501	1.907	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1nnc2ccccn21	ZINC000070869527	522045659	/nfs/dbraw/zinc/04/56/59/522045659.db2.gz	OHAGWFKUGFNIDR-GDBMZVCRSA-N	1	0	351.410	1.886	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(C)Cc2ccc(C#N)cc2)C1	ZINC000046528041	522316573	/nfs/dbraw/zinc/31/65/73/522316573.db2.gz	USRKKYKVGDYHSD-LJQANCHMSA-N	1	0	358.486	1.463	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(CC[NH+](C)C)CC1	ZINC000060578246	522403260	/nfs/dbraw/zinc/40/32/60/522403260.db2.gz	HPBNQFYVGBMSIH-UHFFFAOYSA-N	1	0	358.486	1.986	20	30		FDEDRO
CN(C)C(=O)CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000047031552	522429811	/nfs/dbraw/zinc/42/98/11/522429811.db2.gz	IOEKKWANGYYPER-UHFFFAOYSA-N	1	0	357.458	1.254	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](CC(C)C)[NH+](C)C)cc1	ZINC000074137003	522690915	/nfs/dbraw/zinc/69/09/15/522690915.db2.gz	HTOFHIOBXJMZJN-INIZCTEOSA-N	1	0	367.515	1.857	20	30		FDEDRO
C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1=O	ZINC000074220398	522721246	/nfs/dbraw/zinc/72/12/46/522721246.db2.gz	PWXQAFXVDVLNBL-QYZOEREBSA-N	1	0	368.481	1.695	20	30		FDEDRO
CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1	ZINC000065297734	522804842	/nfs/dbraw/zinc/80/48/42/522804842.db2.gz	MEYBQEAWSAMDAZ-PKOBYXMFSA-N	1	0	359.470	1.825	20	30		FDEDRO
CN(c1c(C#N)c(=O)n(C)c(=O)n1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000074775037	522835563	/nfs/dbraw/zinc/83/55/63/522835563.db2.gz	LXNDCBSFQSTXRV-MRXNPFEDSA-N	1	0	367.453	1.056	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1	ZINC000050148662	522890985	/nfs/dbraw/zinc/89/09/85/522890985.db2.gz	RCZDLUMGGXLWAB-UHFFFAOYSA-N	1	0	358.442	1.744	20	30		FDEDRO
CC[C@H](C)[N@H+](C)CCNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000066125242	522959426	/nfs/dbraw/zinc/95/94/26/522959426.db2.gz	BWGZKGUTDYZYCO-AWEZNQCLSA-N	1	0	351.472	1.320	20	30		FDEDRO
N#Cc1cccc(-c2nnc(CN3CC[C@@H](C[NH+]4CCOCC4)C3)o2)c1	ZINC000075768355	522967277	/nfs/dbraw/zinc/96/72/77/522967277.db2.gz	OMNLAQZTKKCCQS-INIZCTEOSA-N	1	0	353.426	1.762	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C)CC1CC[NH+](C)CC1	ZINC000076282234	523066677	/nfs/dbraw/zinc/06/66/77/523066677.db2.gz	MGQJNUSOCNERHK-UHFFFAOYSA-N	1	0	361.417	1.576	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(CC(=O)NC3CCOCC3)CC2)cc1	ZINC000076292246	523067720	/nfs/dbraw/zinc/06/77/20/523067720.db2.gz	BHWVCKYVCUZJPQ-UHFFFAOYSA-N	1	0	356.470	1.361	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCN(c2ccc(OC)cc2)CC1	ZINC000052466790	523181315	/nfs/dbraw/zinc/18/13/15/523181315.db2.gz	DDEHXFIGQLIGHE-OAHLLOKOSA-N	1	0	360.458	1.608	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1	ZINC000076965348	523218529	/nfs/dbraw/zinc/21/85/29/523218529.db2.gz	RRUCOXHOECYQBQ-IRXDYDNUSA-N	1	0	362.518	1.965	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)CC1	ZINC000077038860	523239047	/nfs/dbraw/zinc/23/90/47/523239047.db2.gz	NSELOPGPEOBHNB-INIZCTEOSA-N	1	0	372.444	1.782	20	30		FDEDRO
CCc1ccccc1N1C[C@H](C(=O)NC2(C#N)CC[NH+](C)CC2)CC1=O	ZINC000077037772	523239507	/nfs/dbraw/zinc/23/95/07/523239507.db2.gz	PRQBOWZLIKZWDJ-MRXNPFEDSA-N	1	0	354.454	1.706	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCOCC2)CC1	ZINC000066920861	523265233	/nfs/dbraw/zinc/26/52/33/523265233.db2.gz	KQEWYNNTWNJBAS-NRFANRHFSA-N	1	0	369.509	1.830	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)CC1	ZINC000066941497	523276390	/nfs/dbraw/zinc/27/63/90/523276390.db2.gz	BYKCSNFYGXPMHX-UHFFFAOYSA-N	1	0	371.456	1.384	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)CC1	ZINC000067126104	523327348	/nfs/dbraw/zinc/32/73/48/523327348.db2.gz	LWYQIVTUJHKDCO-UHFFFAOYSA-N	1	0	358.394	1.544	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1	ZINC000067305223	523384180	/nfs/dbraw/zinc/38/41/80/523384180.db2.gz	PWHGFWDPFZAJFC-UHFFFAOYSA-N	1	0	370.413	1.946	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NCCC[NH+]2CCCC2)c1	ZINC000077606567	523394680	/nfs/dbraw/zinc/39/46/80/523394680.db2.gz	OYIJISGEAQSRBW-UHFFFAOYSA-N	1	0	351.472	1.367	20	30		FDEDRO
CC1CC[NH+](Cc2ccc(CNC(=O)Cn3cnc(C#N)n3)cc2)CC1	ZINC000053620545	523476767	/nfs/dbraw/zinc/47/67/67/523476767.db2.gz	AEWFPHNTFLANKJ-UHFFFAOYSA-N	1	0	352.442	1.698	20	30		FDEDRO
C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000079291633	523735416	/nfs/dbraw/zinc/73/54/16/523735416.db2.gz	NBQLQQIWHNWHLC-INIZCTEOSA-N	1	0	356.474	1.659	20	30		FDEDRO
CC(C)[NH+]1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1	ZINC000068322421	523758170	/nfs/dbraw/zinc/75/81/70/523758170.db2.gz	VCGOCTAFVMDUMX-UHFFFAOYSA-N	1	0	352.442	1.708	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC2CC[NH+](CCC)CC2)c1	ZINC000055221485	523772747	/nfs/dbraw/zinc/77/27/47/523772747.db2.gz	RSNIXTKJNHTZPO-UHFFFAOYSA-N	1	0	365.499	1.755	20	30		FDEDRO
C[NH+]1CCC(O)(CNC(=O)c2occc2COc2cccc(C#N)c2)CC1	ZINC000080882496	523911325	/nfs/dbraw/zinc/91/13/25/523911325.db2.gz	JOPFSXRFHYXIJJ-UHFFFAOYSA-N	1	0	369.421	1.917	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])c1	ZINC000156597714	524112363	/nfs/dbraw/zinc/11/23/63/524112363.db2.gz	NCTMWTZGHMMKEH-CZUORRHYSA-N	1	0	351.472	1.350	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2nc([C@H](C)OC)no2)CC1	ZINC000081493599	524135313	/nfs/dbraw/zinc/13/53/13/524135313.db2.gz	ZUVMZFMSEMGUOI-ZDUSSCGKSA-N	1	0	351.451	1.959	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)Cc2ccc(OCC#N)cc2)CC1	ZINC000110767958	524135580	/nfs/dbraw/zinc/13/55/80/524135580.db2.gz	FMUAIZDPCRXPOS-LJQANCHMSA-N	1	0	370.497	1.760	20	30		FDEDRO
CC[N@H+](C)[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1ccccc1	ZINC000135384019	524137341	/nfs/dbraw/zinc/13/73/41/524137341.db2.gz	VKGPINSKBUVIER-QGZVFWFLSA-N	1	0	354.458	1.948	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)Cc1ccccc1	ZINC000135677173	524161971	/nfs/dbraw/zinc/16/19/71/524161971.db2.gz	PDPHGNMAMAZDPE-INIZCTEOSA-N	1	0	368.412	1.925	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3ccc(OC)cc3)C2=O)CC1	ZINC000172261210	524183468	/nfs/dbraw/zinc/18/34/68/524183468.db2.gz	ZHTNCVJWLNKZKX-IBGZPJMESA-N	1	0	369.465	1.258	20	30		FDEDRO
C=CCNc1ncc(C(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)s1	ZINC000136318208	524195655	/nfs/dbraw/zinc/19/56/55/524195655.db2.gz	WURGIRZNAUBOMM-AWEZNQCLSA-N	1	0	351.520	1.744	20	30		FDEDRO
CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1ccc(F)cc1C#N	ZINC000157261961	524241182	/nfs/dbraw/zinc/24/11/82/524241182.db2.gz	YRWOVBJYGYGTMG-UHFFFAOYSA-N	1	0	357.451	1.676	20	30		FDEDRO
COc1ccc(OCC[N@H+](C)CCCc2[nH]nc(N)c2C#N)c([N+](=O)[O-])c1	ZINC000121466908	524266723	/nfs/dbraw/zinc/26/67/23/524266723.db2.gz	CKYFZYKRFRANPX-UHFFFAOYSA-N	1	0	374.401	1.724	20	30		FDEDRO
CNS(=O)(=O)c1cc(C(=O)N(CCC#N)CCC[NH+](C)C)ccc1F	ZINC000084185890	524290310	/nfs/dbraw/zinc/29/03/10/524290310.db2.gz	ZGNMEEDKIGPPPT-UHFFFAOYSA-N	1	0	370.450	1.041	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CNC(=O)N2CCc3ccccc3C2)CC1	ZINC000111613849	524311573	/nfs/dbraw/zinc/31/15/73/524311573.db2.gz	YFUITRXJAYIDMR-UHFFFAOYSA-N	1	0	370.497	1.911	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)c1ccc(S(C)(=O)=O)cc1	ZINC000084586966	524317513	/nfs/dbraw/zinc/31/75/13/524317513.db2.gz	XFHMWVUFBQBCIW-HNNXBMFYSA-N	1	0	365.499	1.888	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC#N)N1CCCN(C(=O)COc2ccccc2)CC1	ZINC000140646611	524317844	/nfs/dbraw/zinc/31/78/44/524317844.db2.gz	OILDHYFDPWSAJV-KRWDZBQOSA-N	1	0	372.469	1.360	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1	ZINC000173220425	524346261	/nfs/dbraw/zinc/34/62/61/524346261.db2.gz	PGNKKQBILBHTRJ-KRWDZBQOSA-N	1	0	368.437	1.014	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(c2cc(C#N)ccn2)CC1)C(C)(C)C[NH+](C)C	ZINC000085364004	524347893	/nfs/dbraw/zinc/34/78/93/524347893.db2.gz	WYEMUUFNDHWYQF-HNNXBMFYSA-N	1	0	358.490	1.761	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)ccc1F	ZINC000112218975	524427746	/nfs/dbraw/zinc/42/77/46/524427746.db2.gz	DQADCPTUPBZTNV-AWEZNQCLSA-N	1	0	374.416	1.207	20	30		FDEDRO
N#Cc1ccc(NCC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1	ZINC000122037591	524437249	/nfs/dbraw/zinc/43/72/49/524437249.db2.gz	SXBLDQRXUYSNGH-OALUTQOASA-N	1	0	356.470	1.854	20	30		FDEDRO
C[C@@H]1C[NH+](CCCCNC(=O)C#Cc2ccc3c(c2)OCO3)C[C@@H](C)O1	ZINC000122242969	524487207	/nfs/dbraw/zinc/48/72/07/524487207.db2.gz	BOHFXGVLZYHHFT-HZPDHXFCSA-N	1	0	358.438	1.772	20	30		FDEDRO
Cc1cccc(S(=O)(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c1C#N	ZINC000122254066	524492574	/nfs/dbraw/zinc/49/25/74/524492574.db2.gz	AEJCWLSXBIGGQD-CQSZACIVSA-N	1	0	350.488	1.029	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)nc3onc(C)c32)c1C#N	ZINC000089674371	524517989	/nfs/dbraw/zinc/51/79/89/524517989.db2.gz	NACMUSBGVNFGAZ-UHFFFAOYSA-N	1	0	353.386	1.839	20	30		FDEDRO
O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCN(CCO)CC1	ZINC000151098825	524525087	/nfs/dbraw/zinc/52/50/87/524525087.db2.gz	GHISLLQDLNVOFW-UHFFFAOYSA-N	1	0	350.422	1.623	20	30		FDEDRO
C[NH+]1CCN(Cc2cccc(C(=O)NCC3CCN(CC#N)CC3)c2)CC1	ZINC000122544388	524560899	/nfs/dbraw/zinc/56/08/99/524560899.db2.gz	CDBMMSPFOFNCEH-UHFFFAOYSA-N	1	0	369.513	1.399	20	30		FDEDRO
C[NH+](C)CCn1nnnc1SCC(=O)Nc1cc(Cl)ccc1C#N	ZINC000151661700	524645918	/nfs/dbraw/zinc/64/59/18/524645918.db2.gz	FMJVCKYJEGKJQG-UHFFFAOYSA-N	1	0	365.850	1.491	20	30		FDEDRO
CCC[N@H+](CC)CCNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C	ZINC000174659411	524678663	/nfs/dbraw/zinc/67/86/63/524678663.db2.gz	JTJOFBFOBLNNMG-UHFFFAOYSA-N	1	0	356.474	1.999	20	30		FDEDRO
C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000123125614	524685226	/nfs/dbraw/zinc/68/52/26/524685226.db2.gz	PYPUJTYGVQUGBV-HOTGVXAUSA-N	1	0	371.489	1.443	20	30		FDEDRO
Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)CC2	ZINC000113439949	524685546	/nfs/dbraw/zinc/68/55/46/524685546.db2.gz	PTBGVAZFLDFSJT-BBRMVZONSA-N	1	0	370.432	1.965	20	30		FDEDRO
C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000123125428	524686234	/nfs/dbraw/zinc/68/62/34/524686234.db2.gz	PYPUJTYGVQUGBV-JKSUJKDBSA-N	1	0	371.489	1.443	20	30		FDEDRO
CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@H](C)C#N)c2)CC1	ZINC000091267378	524687235	/nfs/dbraw/zinc/68/72/35/524687235.db2.gz	RLRFURHYBYDBJB-OAHLLOKOSA-N	1	0	357.458	1.431	20	30		FDEDRO
C[C@H](CC#N)NC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1	ZINC000123187005	524699445	/nfs/dbraw/zinc/69/94/45/524699445.db2.gz	KKHWZYUBSSJRIW-OAHLLOKOSA-N	1	0	369.469	1.575	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@@H]4CCCC[C@@H]43)CC2)o1	ZINC000159688412	524720924	/nfs/dbraw/zinc/72/09/24/524720924.db2.gz	JUSWTTBQLIETNP-RDJZCZTQSA-N	1	0	357.458	1.768	20	30		FDEDRO
C[NH+]=C(NCCNC(=O)c1ccccc1Cl)N[C@@H]1C[C@H]2CC[C@@H]1O2	ZINC000159716426	524724226	/nfs/dbraw/zinc/72/42/26/524724226.db2.gz	MDUNDUUSMFXVPX-DFBGVHRSSA-N	1	0	350.850	1.555	20	30		FDEDRO
C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc(C#N)c1	ZINC000123627799	524794224	/nfs/dbraw/zinc/79/42/24/524794224.db2.gz	CYGYDUGUNOCGKU-SFHVURJKSA-N	1	0	350.422	1.786	20	30		FDEDRO
CC[NH+]=C(NCc1nnc2n1CCCC2)N1CC[C@H](C)[C@@H](n2ccnc2)C1	ZINC000160080366	524803250	/nfs/dbraw/zinc/80/32/50/524803250.db2.gz	CZNHHONIQYUEFU-HOTGVXAUSA-N	1	0	370.505	1.860	20	30		FDEDRO
COCCN(CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccc(C#N)cc1	ZINC000114455844	524806102	/nfs/dbraw/zinc/80/61/02/524806102.db2.gz	KJPFPCBBLCUFFN-UHFFFAOYSA-N	1	0	372.513	1.996	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1	ZINC000092335224	524872020	/nfs/dbraw/zinc/87/20/20/524872020.db2.gz	UGAPWHDQMKOZJU-UHFFFAOYSA-N	1	0	365.503	1.710	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000152473484	524897955	/nfs/dbraw/zinc/89/79/55/524897955.db2.gz	AZDOSKFBXLGATK-UHFFFAOYSA-N	1	0	356.430	1.024	20	30		FDEDRO
N#C[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCN1Cc1ccccc1	ZINC000160666474	524942410	/nfs/dbraw/zinc/94/24/10/524942410.db2.gz	GCRUEDWNTLJRES-UXHICEINSA-N	1	0	367.497	1.890	20	30		FDEDRO
COc1ccccc1OC[C@H](C)CNC(=[NH2+])NCCCN1CCOCC1	ZINC000160764559	524966722	/nfs/dbraw/zinc/96/67/22/524966722.db2.gz	RWYOBVBBHCNTAC-MRXNPFEDSA-N	1	0	364.490	1.337	20	30		FDEDRO
C=CCc1cc(CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc(OC)c1O	ZINC000093821061	525001805	/nfs/dbraw/zinc/00/18/05/525001805.db2.gz	BZWBITWBNFHBGW-SFHVURJKSA-N	1	0	373.497	1.868	20	30		FDEDRO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCN3C(=O)NC[C@@H]3C2)cc1	ZINC000175895738	525023060	/nfs/dbraw/zinc/02/30/60/525023060.db2.gz	MLVFBZDJAAURHZ-DOTOQJQBSA-N	1	0	355.442	1.340	20	30		FDEDRO
CCc1cnc(CNC(N[C@@H]2CCCN(c3ncccn3)C2)=[NH+]C)s1	ZINC000176011668	525040849	/nfs/dbraw/zinc/04/08/49/525040849.db2.gz	UNEYCARQUKDLPB-CYBMUJFWSA-N	1	0	359.503	1.830	20	30		FDEDRO
CC[NH+]=C(NC[C@]1(O)CCc2ccccc21)N[C@H]1CCN(C(=O)CC)C1	ZINC000161213131	525056587	/nfs/dbraw/zinc/05/65/87/525056587.db2.gz	VGZLYMYUNKRBDI-OXJNMPFZSA-N	1	0	358.486	1.386	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1C#N	ZINC000161266038	525068731	/nfs/dbraw/zinc/06/87/31/525068731.db2.gz	GSPROVIXCHLQFY-CYBMUJFWSA-N	1	0	358.442	1.883	20	30		FDEDRO
CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000161392103	525098905	/nfs/dbraw/zinc/09/89/05/525098905.db2.gz	GHDMGCAKFPSHDP-UONOGXRCSA-N	1	0	366.487	1.072	20	30		FDEDRO
C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153297918	525172234	/nfs/dbraw/zinc/17/22/34/525172234.db2.gz	OSGDSOAPNONRSW-CQSZACIVSA-N	1	0	354.458	1.948	20	30		FDEDRO
C#CCOCCC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1	ZINC000153379448	525195959	/nfs/dbraw/zinc/19/59/59/525195959.db2.gz	ADMXNYZPPQZZFW-SFHVURJKSA-N	1	0	357.454	1.831	20	30		FDEDRO
CC[NH+]=C(NC[C@@H](O)c1ccc(F)cc1)N[C@@H]1CCc2nc(C)nn2C1	ZINC000153382888	525196561	/nfs/dbraw/zinc/19/65/61/525196561.db2.gz	TVVAARNWYPJHPD-HZPDHXFCSA-N	1	0	360.437	1.329	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(CC(=O)N[C@@H](CC)CO)cc2)CC1	ZINC000125608186	525218211	/nfs/dbraw/zinc/21/82/11/525218211.db2.gz	NSBYZAQONGZLSF-SFHVURJKSA-N	1	0	371.481	1.400	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000162346803	525246161	/nfs/dbraw/zinc/24/61/61/525246161.db2.gz	JQTRQAYZBYVEGN-OAHLLOKOSA-N	1	0	359.478	1.300	20	30		FDEDRO
CCC[C@@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC[N@@H+]1CCOC	ZINC000153697933	525290094	/nfs/dbraw/zinc/29/00/94/525290094.db2.gz	YMQJYPDZTKNSCR-GOSISDBHSA-N	1	0	372.469	1.247	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CNC(=O)c1ccccc1	ZINC000117245348	525290447	/nfs/dbraw/zinc/29/04/47/525290447.db2.gz	OGJOUKWXOCFTMY-UHFFFAOYSA-N	1	0	364.449	1.878	20	30		FDEDRO
CS(=O)(=O)CCN1CCC([NH2+]C2CC(C#N)(c3ccccc3)C2)CC1	ZINC000126845590	525357042	/nfs/dbraw/zinc/35/70/42/525357042.db2.gz	IDHLVMODROFLRH-UHFFFAOYSA-N	1	0	361.511	1.709	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1ccnc(N2CCCCC2)c1	ZINC000104160086	525398290	/nfs/dbraw/zinc/39/82/90/525398290.db2.gz	FAOJZTRJVMSTSV-UHFFFAOYSA-N	1	0	360.506	1.069	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1ccc(OC2CCCC2)nc1	ZINC000104164221	525398675	/nfs/dbraw/zinc/39/86/75/525398675.db2.gz	DTNLXSPTASEFED-UHFFFAOYSA-N	1	0	361.490	1.400	20	30		FDEDRO
C=CCCC[NH+]1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000117871411	525404534	/nfs/dbraw/zinc/40/45/34/525404534.db2.gz	XXJOJFQAUAXBOU-UHFFFAOYSA-N	1	0	351.472	1.951	20	30		FDEDRO
CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000127549666	525435805	/nfs/dbraw/zinc/43/58/05/525435805.db2.gz	CIJQRUWPXKZJQS-GRDNDAEWSA-N	1	0	363.483	1.633	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC000104800780	525438878	/nfs/dbraw/zinc/43/88/78/525438878.db2.gz	RFLKHXYIFOHMHR-KRWDZBQOSA-N	1	0	357.458	1.287	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1	ZINC000178512404	525442209	/nfs/dbraw/zinc/44/22/09/525442209.db2.gz	VLJPTLZAGQABBQ-UHFFFAOYSA-N	1	0	372.469	1.765	20	30		FDEDRO
C#CCCOc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2NS(C)(=O)=O)cc1	ZINC000154291801	525485089	/nfs/dbraw/zinc/48/50/89/525485089.db2.gz	UWCQQNHINUEWSO-FUHWJXTLSA-N	1	0	350.484	1.896	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)Cc2ccc(C#N)cc2)CC1=O	ZINC000105317315	525495430	/nfs/dbraw/zinc/49/54/30/525495430.db2.gz	HHUSQAVKQQCXAD-RTBURBONSA-N	1	0	368.481	1.849	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Cn3cccn3)cc2)c1C#N	ZINC000128159091	525509516	/nfs/dbraw/zinc/50/95/16/525509516.db2.gz	CINACMHAMNKQLT-UHFFFAOYSA-N	1	0	363.425	1.930	20	30		FDEDRO
C=CCNc1ncc(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)s1	ZINC000128512867	525550807	/nfs/dbraw/zinc/55/08/07/525550807.db2.gz	KDEGQYVJIGPACP-LBPRGKRZSA-N	1	0	351.476	1.058	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CN2c3ccccc3O[C@H](C)C2=O)CC1	ZINC000106037578	525554108	/nfs/dbraw/zinc/55/41/08/525554108.db2.gz	VUUGUIUNCRVZOM-OAHLLOKOSA-N	1	0	357.454	1.957	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)CC1	ZINC000118834420	525554289	/nfs/dbraw/zinc/55/42/89/525554289.db2.gz	BUTMQNBLCNGSPW-VQTJNVASSA-N	1	0	367.497	1.375	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Cn2cnc3c(C)cccc3c2=O)CC1	ZINC000106038125	525554680	/nfs/dbraw/zinc/55/46/80/525554680.db2.gz	GSWKAHGMPQMJPB-UHFFFAOYSA-N	1	0	354.454	1.862	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CCN(Cc2ccccc2Cl)CC1	ZINC000165767408	525558779	/nfs/dbraw/zinc/55/87/79/525558779.db2.gz	YIZHEGSHIFZKEO-AWEZNQCLSA-N	1	0	364.877	1.858	20	30		FDEDRO
C=CCC[C@H](O)C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1	ZINC000128816714	525582177	/nfs/dbraw/zinc/58/21/77/525582177.db2.gz	MMSNPMIQQNXLAI-ZDUSSCGKSA-N	1	0	358.426	1.602	20	30		FDEDRO
C[C@]1(O)CCC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000179660895	525612713	/nfs/dbraw/zinc/61/27/13/525612713.db2.gz	KBTQBGZTDKBTIM-ICSRJNTNSA-N	1	0	374.460	1.381	20	30		FDEDRO
C#CCOc1ccccc1C[N@H+]1CCCN(CC(=O)N2CCCC2)CC1	ZINC000129313005	525641409	/nfs/dbraw/zinc/64/14/09/525641409.db2.gz	JMQLHDNNSVEJQJ-UHFFFAOYSA-N	1	0	355.482	1.829	20	30		FDEDRO
CC(C)C[C@H](NC(=O)Nc1ccc(F)c(C#N)c1)C(=O)NCC[NH+](C)C	ZINC000129367862	525647140	/nfs/dbraw/zinc/64/71/40/525647140.db2.gz	LZGORHHLPKYTGE-INIZCTEOSA-N	1	0	363.437	1.911	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1	ZINC000170779828	525710897	/nfs/dbraw/zinc/71/08/97/525710897.db2.gz	UXESSCXYJLPQCX-IRXDYDNUSA-N	1	0	356.470	1.966	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C	ZINC000180533019	525718500	/nfs/dbraw/zinc/71/85/00/525718500.db2.gz	ARGWLIMMLRERPG-HZPDHXFCSA-N	1	0	358.486	1.744	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)CCC2CCOCC2)CC1	ZINC000180711094	525746014	/nfs/dbraw/zinc/74/60/14/525746014.db2.gz	KICJZWCEVIRJRF-GOSISDBHSA-N	1	0	350.507	1.427	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCNC(=O)[C@H]2c2ccccc2Cl)CC1	ZINC000130478265	525762037	/nfs/dbraw/zinc/76/20/37/525762037.db2.gz	QXHKJATTXLKVFM-QGZVFWFLSA-N	1	0	359.857	1.685	20	30		FDEDRO
[NH2+]=C(NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)Nc1ccccn1	ZINC000170913550	525767000	/nfs/dbraw/zinc/76/70/00/525767000.db2.gz	SRZFEOJZVHNQQG-UHFFFAOYSA-N	1	0	372.860	1.810	20	30		FDEDRO
C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000180871565	525767538	/nfs/dbraw/zinc/76/75/38/525767538.db2.gz	LQPUOYGDVWQLIP-ORIGZDJFSA-N	1	0	356.426	1.544	20	30		FDEDRO
COc1ccccc1CNC(=[NH2+])NCc1ccc(N2CCO[C@@H](C)C2)nc1	ZINC000170911565	525768213	/nfs/dbraw/zinc/76/82/13/525768213.db2.gz	ATCFYQFMXIGOCR-HNNXBMFYSA-N	1	0	369.469	1.920	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NC[C@]2(O)CCc3ccccc32)cc1OC	ZINC000130921727	525809218	/nfs/dbraw/zinc/80/92/18/525809218.db2.gz	IIDWGAMTHRERES-HXUWFJFHSA-N	1	0	355.438	1.942	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1	ZINC000119633339	525809390	/nfs/dbraw/zinc/80/93/90/525809390.db2.gz	IMHKIBNOUISSHU-HTUJPFKRSA-N	1	0	361.534	1.237	20	30		FDEDRO
C[N@H+](CCNC(=O)CNC(=O)c1ccc(C#N)cc1)Cc1ccccc1	ZINC000171115325	525853503	/nfs/dbraw/zinc/85/35/03/525853503.db2.gz	SLKHCSOQXGLWHX-UHFFFAOYSA-N	1	0	350.422	1.536	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1	ZINC000181431653	525853769	/nfs/dbraw/zinc/85/37/69/525853769.db2.gz	FCUMLQHFIDOJMH-UONOGXRCSA-N	1	0	358.442	1.864	20	30		FDEDRO
CC[NH+]=C(N[C@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CCN(c2ccccn2)CC1	ZINC000155405530	525854303	/nfs/dbraw/zinc/85/43/03/525854303.db2.gz	PGCULUIKBZFLLC-SZMVWBNQSA-N	1	0	357.502	1.983	20	30		FDEDRO
N#Cc1cccc(OCCC[N@H+]2CCCN(CC(=O)N3CCCC3)CC2)c1	ZINC000155539896	525899678	/nfs/dbraw/zinc/89/96/78/525899678.db2.gz	XAAPSAXQRKJDOX-UHFFFAOYSA-N	1	0	370.497	1.957	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)cc1	ZINC000131965674	525924208	/nfs/dbraw/zinc/92/42/08/525924208.db2.gz	WPIWMAINAKJWSC-UHFFFAOYSA-N	1	0	372.469	1.533	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)CC1CC[NH+](C)CC1	ZINC000181778144	525929169	/nfs/dbraw/zinc/92/91/69/525929169.db2.gz	ZATIZTVOHSYYNG-AWEZNQCLSA-N	1	0	358.442	1.716	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(NC(=O)c3cc(C)oc3C)CC2)CC1	ZINC000171288352	525932357	/nfs/dbraw/zinc/93/23/57/525932357.db2.gz	OIIBNHDZRMUTHP-UHFFFAOYSA-N	1	0	371.481	1.962	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCCc2c(OC)cc(OC)cc2OC)CC1	ZINC000108181027	525937186	/nfs/dbraw/zinc/93/71/86/525937186.db2.gz	IENPNTYWVDAATJ-UHFFFAOYSA-N	1	0	360.454	1.716	20	30		FDEDRO
CC(C)c1nnc(CON=C(N)c2ccccc2C[NH+]2CCC(O)CC2)o1	ZINC000132178079	525944718	/nfs/dbraw/zinc/94/47/18/525944718.db2.gz	HWNPGCYMWMAUPQ-UHFFFAOYSA-N	1	0	373.457	1.987	20	30		FDEDRO
CC[NH+](CC)CCCC1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1	ZINC000181829558	525948167	/nfs/dbraw/zinc/94/81/67/525948167.db2.gz	ZVSCZPYTLUJKBK-UHFFFAOYSA-N	1	0	361.490	1.294	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)cc2C1=O	ZINC000108305059	525949275	/nfs/dbraw/zinc/94/92/75/525949275.db2.gz	AJZVNSYJWFNFBW-HNNXBMFYSA-N	1	0	353.422	1.683	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1	ZINC000108340915	525957139	/nfs/dbraw/zinc/95/71/39/525957139.db2.gz	ZKDLNKFCZUNURU-AWEZNQCLSA-N	1	0	351.472	1.223	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)CC1	ZINC000181876828	525966966	/nfs/dbraw/zinc/96/69/66/525966966.db2.gz	BMOKFGSCDZFHOL-CQSZACIVSA-N	1	0	356.426	1.683	20	30		FDEDRO
C#CCOc1cccc(NC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1	ZINC000108518999	525979545	/nfs/dbraw/zinc/97/95/45/525979545.db2.gz	TUOOTFQOLPWQOF-SFHVURJKSA-N	1	0	372.469	1.763	20	30		FDEDRO
C#CCOc1cccc(NC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1	ZINC000108519001	525980620	/nfs/dbraw/zinc/98/06/20/525980620.db2.gz	TUOOTFQOLPWQOF-GOSISDBHSA-N	1	0	372.469	1.763	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NC2CC[NH+](CC(=C)C)CC2)c1	ZINC000108614132	526005183	/nfs/dbraw/zinc/00/51/83/526005183.db2.gz	SFMLJNFPSFYXSS-UHFFFAOYSA-N	1	0	355.438	1.794	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCc2ccnc(N3CCOCC3)c2)CC1	ZINC000171553494	526031059	/nfs/dbraw/zinc/03/10/59/526031059.db2.gz	XBCCXAHZDCYFOY-UHFFFAOYSA-N	1	0	373.501	1.758	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(S(=O)(=O)NC)c2)CC1	ZINC000171583792	526040606	/nfs/dbraw/zinc/04/06/06/526040606.db2.gz	MHMYMRUDXNTEFR-UHFFFAOYSA-N	1	0	366.487	1.757	20	30		FDEDRO
COC(=O)CC[N@@H+]1CCN(CCC(=O)Nc2sccc2C#N)[C@H](C)C1	ZINC000182097007	526052293	/nfs/dbraw/zinc/05/22/93/526052293.db2.gz	MWDYLSDBMKXQNG-CYBMUJFWSA-N	1	0	364.471	1.518	20	30		FDEDRO
N#Cc1cccc(OCCCN2CCN(C(=O)C[NH+]3CCCC3)CC2)c1	ZINC000156095790	526054203	/nfs/dbraw/zinc/05/42/03/526054203.db2.gz	RMUCWVUPLKBFTA-UHFFFAOYSA-N	1	0	356.470	1.567	20	30		FDEDRO
C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1	ZINC000133712914	526084653	/nfs/dbraw/zinc/08/46/53/526084653.db2.gz	ILJLYCUDIGBJIH-RHSMWYFYSA-N	1	0	372.469	1.482	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000171730266	526097891	/nfs/dbraw/zinc/09/78/91/526097891.db2.gz	AHSMHSAZTPZMAJ-UHFFFAOYSA-N	1	0	355.438	1.829	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@H](O)COc2ccc(F)c(F)c2)CC1	ZINC000171740647	526104348	/nfs/dbraw/zinc/10/43/48/526104348.db2.gz	AJCOFYAUBARJJO-AWEZNQCLSA-N	1	0	369.412	1.654	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1	ZINC000120562663	526109606	/nfs/dbraw/zinc/10/96/06/526109606.db2.gz	UZAZTJNDCZPVML-UKRRQHHQSA-N	1	0	361.417	1.717	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cnn(CC[NH+](C)C)c1	ZINC000109538203	526135083	/nfs/dbraw/zinc/13/50/83/526135083.db2.gz	PLWLZBRSQYAWTH-UHFFFAOYSA-N	1	0	356.430	1.193	20	30		FDEDRO
C=CCNC(=O)CNC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1	ZINC000182513973	526195913	/nfs/dbraw/zinc/19/59/13/526195913.db2.gz	PKFYCVSLFLWGSW-UHFFFAOYSA-N	1	0	360.458	1.975	20	30		FDEDRO
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@H+]2CCC[C@H](CO)C2)CC1	ZINC000182622473	535835188	/nfs/dbraw/zinc/83/51/88/535835188.db2.gz	XKDJMAOGFXLASU-QFBILLFUSA-N	1	0	374.460	1.239	20	30		FDEDRO
CO[C@@H]1CCC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1	ZINC000182749020	535856419	/nfs/dbraw/zinc/85/64/19/535856419.db2.gz	FBKBJDFWMUMFLX-CVEARBPZSA-N	1	0	362.499	1.568	20	30		FDEDRO
CSCC[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000182862460	535877809	/nfs/dbraw/zinc/87/78/09/535877809.db2.gz	KNKRNSIMTVHSJW-QGZVFWFLSA-N	1	0	364.490	1.829	20	30		FDEDRO
CC[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c1cccc(S(N)(=O)=O)c1	ZINC000183010498	535903407	/nfs/dbraw/zinc/90/34/07/535903407.db2.gz	ZBYAMKAQUVHACQ-WBVHZDCISA-N	1	0	366.487	1.429	20	30		FDEDRO
COc1cccc([C@@H]2[C@H](NC(=O)Cn3cnc(C#N)n3)CC[N@@H+]2C2CC2)c1	ZINC000183254612	535950683	/nfs/dbraw/zinc/95/06/83/535950683.db2.gz	IRGFXNCUWSYVBL-VQIMIIECSA-N	1	0	366.425	1.253	20	30		FDEDRO
CNc1nnc(CC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)s1	ZINC000183559311	536003489	/nfs/dbraw/zinc/00/34/89/536003489.db2.gz	YEKODHLDOWBZNO-UHFFFAOYSA-N	1	0	358.471	1.584	20	30		FDEDRO
COC(=O)c1cn(C2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)nn1	ZINC000183729368	536038546	/nfs/dbraw/zinc/03/85/46/536038546.db2.gz	RSCSLSUNFNHLFK-QGZVFWFLSA-N	1	0	355.398	1.307	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1	ZINC000183757505	536044693	/nfs/dbraw/zinc/04/46/93/536044693.db2.gz	JHVCPODNIOAUQT-INIZCTEOSA-N	1	0	370.519	1.075	20	30		FDEDRO
C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000185333481	536205761	/nfs/dbraw/zinc/20/57/61/536205761.db2.gz	XIIYYDAKFIERQX-ZDUSSCGKSA-N	1	0	370.906	1.516	20	30		FDEDRO
C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000185334985	536205794	/nfs/dbraw/zinc/20/57/94/536205794.db2.gz	ADNGVGBWXSRNDQ-ZDUSSCGKSA-N	1	0	354.451	1.002	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1	ZINC000185452024	536209014	/nfs/dbraw/zinc/20/90/14/536209014.db2.gz	FWVKFSNWZMVGJT-KBPBESRZSA-N	1	0	351.472	1.966	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)CN2CC[N@H+](CCO)[C@H](C)C2)c(OC)c1	ZINC000187700535	536272032	/nfs/dbraw/zinc/27/20/32/536272032.db2.gz	WSLDVBUWWVEZHN-AEFFLSMTSA-N	1	0	364.486	1.162	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)Cc2ccc(C#N)cc2)CC1=O	ZINC000246376872	536940137	/nfs/dbraw/zinc/94/01/37/536940137.db2.gz	HHUSQAVKQQCXAD-OALUTQOASA-N	1	0	368.481	1.849	20	30		FDEDRO
CC[N@H+](CCNS(=O)(=O)CCCOC)[C@H](C)c1ccc(C#N)cc1	ZINC000267019377	536948994	/nfs/dbraw/zinc/94/89/94/536948994.db2.gz	JZIFBIUMZRLXEE-OAHLLOKOSA-N	1	0	353.488	1.897	20	30		FDEDRO
[NH2+]=C(NCc1c(O)ccc2c1CCCC2)N1CCN(c2ncccn2)CC1	ZINC000267388786	536973568	/nfs/dbraw/zinc/97/35/68/536973568.db2.gz	CLJQVSYVDSGHHD-UHFFFAOYSA-N	1	0	366.469	1.698	20	30		FDEDRO
N#Cc1ccc(C(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc1O	ZINC000189056273	536990690	/nfs/dbraw/zinc/99/06/90/536990690.db2.gz	CYJOGRWAWZUPGV-MSOLQXFVSA-N	1	0	351.406	1.629	20	30		FDEDRO
N#Cc1ccc(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1O	ZINC000189198905	537010918	/nfs/dbraw/zinc/01/09/18/537010918.db2.gz	MBKRVZDEHQBQJH-SFHVURJKSA-N	1	0	351.406	1.760	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1	ZINC000268173050	537011978	/nfs/dbraw/zinc/01/19/78/537011978.db2.gz	KFEQIQHKPMBDLV-CXAGYDPISA-N	1	0	363.483	1.363	20	30		FDEDRO
C[C@H]1C[N@H+](CC(C)(C)O)CCN1CC(=O)Nc1cc(Cl)ccc1C#N	ZINC000189407428	537041069	/nfs/dbraw/zinc/04/10/69/537041069.db2.gz	KACJPBAMRLCNLH-ZDUSSCGKSA-N	1	0	364.877	1.927	20	30		FDEDRO
C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)[C@@H](C)C1	ZINC000189549704	537064160	/nfs/dbraw/zinc/06/41/60/537064160.db2.gz	GPYRCHQXPMVPCF-JKSUJKDBSA-N	1	0	372.469	1.581	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)CC[C@H]21	ZINC000247119541	537084001	/nfs/dbraw/zinc/08/40/01/537084001.db2.gz	AKEQDQZRWHDGSU-CRAIPNDOSA-N	1	0	364.453	1.882	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc(C#N)c2)[C@@H](C)C1	ZINC000247238245	537099803	/nfs/dbraw/zinc/09/98/03/537099803.db2.gz	OMNLLPNXKUEYKJ-YJBOKZPZSA-N	1	0	365.499	1.974	20	30		FDEDRO
C[C@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@@H+]1CC(C)(C)O	ZINC000189875865	537109029	/nfs/dbraw/zinc/10/90/29/537109029.db2.gz	ZNTULUVVAGKHBZ-ZDUSSCGKSA-N	1	0	364.877	1.927	20	30		FDEDRO
C[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2C#N)CC[N@@H+]1CC(C)(C)O	ZINC000189878233	537109815	/nfs/dbraw/zinc/10/98/15/537109815.db2.gz	NYOLVQCOEWJPTN-ZDUSSCGKSA-N	1	0	364.877	1.927	20	30		FDEDRO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1	ZINC000247560140	537134780	/nfs/dbraw/zinc/13/47/80/537134780.db2.gz	FWYLSPAWUZGMMG-MELADBBJSA-N	1	0	364.877	1.926	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2cccc(C(=O)NC)c2)CC1	ZINC000264106121	537137923	/nfs/dbraw/zinc/13/79/23/537137923.db2.gz	PLSIBYZRNFJFBA-UHFFFAOYSA-N	1	0	361.446	1.071	20	30		FDEDRO
CO/N=C/c1ccc(C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1	ZINC000264961951	537150502	/nfs/dbraw/zinc/15/05/02/537150502.db2.gz	ZSLUCYLIGPRHRK-KGENOOAVSA-N	1	0	360.458	1.197	20	30		FDEDRO
C#CCN(CC)C(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1	ZINC000265556530	537157117	/nfs/dbraw/zinc/15/71/17/537157117.db2.gz	JIFJIGZCEMKVCF-UHFFFAOYSA-N	1	0	356.470	1.637	20	30		FDEDRO
C=CCc1cc(C[NH2+]CC2CN(S(=O)(=O)CC)C2)cc(OC)c1O	ZINC000190281964	537160686	/nfs/dbraw/zinc/16/06/86/537160686.db2.gz	JVYYTZJWNLULAS-UHFFFAOYSA-N	1	0	354.472	1.500	20	30		FDEDRO
C#C[C@H](C)NC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1	ZINC000190283099	537160699	/nfs/dbraw/zinc/16/06/99/537160699.db2.gz	YPKXYFFLLDEYKA-HNNXBMFYSA-N	1	0	354.454	1.295	20	30		FDEDRO
C#CCN(CC#C)C(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C	ZINC000190426794	537172861	/nfs/dbraw/zinc/17/28/61/537172861.db2.gz	PCLFAELESWTZOR-UHFFFAOYSA-N	1	0	366.465	1.170	20	30		FDEDRO
Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2C[C@H](O)C[C@H]2CO)c1C#N	ZINC000248398467	537177455	/nfs/dbraw/zinc/17/74/55/537177455.db2.gz	UDYRQBKLFLSRSA-DLBZAZTESA-N	1	0	368.437	1.332	20	30		FDEDRO
Cc1ccc(NC(=[NH2+])NCc2ccc(S(=O)(=O)CCO)cc2)cc1C	ZINC000191169952	537198661	/nfs/dbraw/zinc/19/86/61/537198661.db2.gz	YUDHWVNKUIBNIV-UHFFFAOYSA-N	1	0	361.467	1.996	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(C(=O)c2ccc(C3CCC3)cc2)CC1	ZINC000191283581	537202338	/nfs/dbraw/zinc/20/23/38/537202338.db2.gz	DVOOSEMOPPIKRP-UHFFFAOYSA-N	1	0	353.466	1.851	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCC(c3ccncc3)CC2)CC1	ZINC000191643228	537209628	/nfs/dbraw/zinc/20/96/28/537209628.db2.gz	ZMAUOXKSTLCIEF-HXUWFJFHSA-N	1	0	369.513	1.953	20	30		FDEDRO
CC(C)C[C@]1(CO)CCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000191669719	537209803	/nfs/dbraw/zinc/20/98/03/537209803.db2.gz	DIIBRODLYUNEGS-ICSRJNTNSA-N	1	0	364.534	1.552	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1	ZINC000192157175	537221435	/nfs/dbraw/zinc/22/14/35/537221435.db2.gz	WHEYXQHWQQBEBB-YJBOKZPZSA-N	1	0	362.861	1.964	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCOc3ccc(C(=O)OCC)cc32)CC1	ZINC000192362893	537223550	/nfs/dbraw/zinc/22/35/50/537223550.db2.gz	UYCITQJAFCKDAQ-UHFFFAOYSA-N	1	0	356.422	1.934	20	30		FDEDRO
CC(C)C[C@]1(CO)CCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000248974941	537223615	/nfs/dbraw/zinc/22/36/15/537223615.db2.gz	DIIBRODLYUNEGS-QUCCMNQESA-N	1	0	364.534	1.552	20	30		FDEDRO
C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000249107059	537229334	/nfs/dbraw/zinc/22/93/34/537229334.db2.gz	AATFKSDIPXCATQ-TZMCWYRMSA-N	1	0	360.462	1.247	20	30		FDEDRO
N#C[C@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000192763315	537232737	/nfs/dbraw/zinc/23/27/37/537232737.db2.gz	YUNVWCIJJTVTSM-STQMWFEESA-N	1	0	352.416	1.545	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)N3CCC(C)(C#N)CC3)cn2)CC1	ZINC000272359804	537269151	/nfs/dbraw/zinc/26/91/51/537269151.db2.gz	BMQBYYAWMJDKCO-UHFFFAOYSA-N	1	0	356.474	1.669	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[C@H]3[C@@H](C2)NC(=O)N3C)c1	ZINC000285776076	537270638	/nfs/dbraw/zinc/27/06/38/537270638.db2.gz	MTLCTQYZZXVMAP-MSOLQXFVSA-N	1	0	369.469	1.648	20	30		FDEDRO
C#CCN(C(=O)C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1)C1CC1	ZINC000276063172	537273278	/nfs/dbraw/zinc/27/32/78/537273278.db2.gz	CGOLKGCBIHQCKH-UHFFFAOYSA-N	1	0	368.481	1.387	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)ccc1F	ZINC000278323878	537299401	/nfs/dbraw/zinc/29/94/01/537299401.db2.gz	VLRMEFHURIBADB-DGCLKSJQSA-N	1	0	355.435	1.160	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1	ZINC000282309997	537310073	/nfs/dbraw/zinc/31/00/73/537310073.db2.gz	NGQCNDBJBWBDGN-MAUKXSAKSA-N	1	0	364.515	1.965	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCCOc2ccc(C)cc2)CC1	ZINC000285815926	537310436	/nfs/dbraw/zinc/31/04/36/537310436.db2.gz	SKXMYORIGZWBIT-UHFFFAOYSA-N	1	0	359.470	1.647	20	30		FDEDRO
C=CCn1c(CC(C)(C)C)nnc1N1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000282322689	537313429	/nfs/dbraw/zinc/31/34/29/537313429.db2.gz	QGWSZNMJFGRVPK-UHFFFAOYSA-N	1	0	362.522	1.653	20	30		FDEDRO
C#CCNC(=O)CC[N@@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F	ZINC000293114960	537352439	/nfs/dbraw/zinc/35/24/39/537352439.db2.gz	OUXRNSXIPGGDFT-CYBMUJFWSA-N	1	0	358.360	1.516	20	30		FDEDRO
Cn1c(CC#N)nnc1SCC(=O)NC[C@H](c1ccccc1)[NH+](C)C	ZINC000279929016	537359332	/nfs/dbraw/zinc/35/93/32/537359332.db2.gz	LFMSQVCLKXVLKO-CQSZACIVSA-N	1	0	358.471	1.392	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2	ZINC000293199244	537386051	/nfs/dbraw/zinc/38/60/51/537386051.db2.gz	ZKPWUNUOVXLTPS-UHFFFAOYSA-N	1	0	370.497	1.986	20	30		FDEDRO
COC(=O)c1cn(CCNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)nn1	ZINC000283820294	537388832	/nfs/dbraw/zinc/38/88/32/537388832.db2.gz	CRSYGXQPLRYAKP-UHFFFAOYSA-N	1	0	370.335	1.188	20	30		FDEDRO
C=CCCCNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1	ZINC000280352967	537401306	/nfs/dbraw/zinc/40/13/06/537401306.db2.gz	BXGFLNQQHQMWFD-UHFFFAOYSA-N	1	0	360.414	1.177	20	30		FDEDRO
C#CCN(C(=O)C(=O)Nc1ccccc1OCC[NH+](CC)CC)C1CC1	ZINC000276319174	537419360	/nfs/dbraw/zinc/41/93/60/537419360.db2.gz	WTBXPLICGSISLS-UHFFFAOYSA-N	1	0	357.454	1.970	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc1	ZINC000290853892	537429576	/nfs/dbraw/zinc/42/95/76/537429576.db2.gz	AVONNQNOVJLGMG-CQSZACIVSA-N	1	0	351.472	1.057	20	30		FDEDRO
CC#CCN(C)C(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1	ZINC000293430891	537455331	/nfs/dbraw/zinc/45/53/31/537455331.db2.gz	LQBHROREFMFYRR-UHFFFAOYSA-N	1	0	359.495	1.698	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](CCO)c2ccccc2)CC1	ZINC000271695350	537477078	/nfs/dbraw/zinc/47/70/78/537477078.db2.gz	RQCGMXVRXYARIY-OALUTQOASA-N	1	0	358.486	1.392	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F	ZINC000293493173	537486598	/nfs/dbraw/zinc/48/65/98/537486598.db2.gz	WNXOOIPHDDAIPG-UHFFFAOYSA-N	1	0	373.787	1.951	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)C1=O	ZINC000281252408	537519018	/nfs/dbraw/zinc/51/90/18/537519018.db2.gz	QIKKIGQYYOLQHL-KSSFIOAISA-N	1	0	357.454	1.782	20	30		FDEDRO
C#CCCN1CC[NH+](C[C@@H](O)COCc2ccc(OC)c(OC)c2)CC1	ZINC000272036467	537520641	/nfs/dbraw/zinc/52/06/41/537520641.db2.gz	QCVXQEKNKZCDLZ-GOSISDBHSA-N	1	0	362.470	1.222	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NC[C@@H](c1cccc(OC)c1)[NH+](CC)CC	ZINC000272074308	537524081	/nfs/dbraw/zinc/52/40/81/537524081.db2.gz	RJYGLMRKRLZGHN-KRWDZBQOSA-N	1	0	362.474	1.680	20	30		FDEDRO
C=CCS(=O)(=O)CCN[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1	ZINC000274381789	537526794	/nfs/dbraw/zinc/52/67/94/537526794.db2.gz	MUIFZFQBVMCAGL-DLBZAZTESA-N	1	0	372.918	1.902	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CCC[C@H](c3n[nH]cc3CN3CCOCC3)C2)C1=O	ZINC000281327819	537529877	/nfs/dbraw/zinc/52/98/77/537529877.db2.gz	LRBSGEUFAHBGQY-WMZOPIPTSA-N	1	0	373.501	1.208	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(C)C	ZINC000281497705	537552375	/nfs/dbraw/zinc/55/23/75/537552375.db2.gz	HQSBUVGBEUMXED-KRWDZBQOSA-N	1	0	365.499	1.762	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCOCC(F)F	ZINC000276555213	537580591	/nfs/dbraw/zinc/58/05/91/537580591.db2.gz	YXBMGYSFJLLTBD-UHFFFAOYSA-N	1	0	354.401	1.913	20	30		FDEDRO
CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CCC(=O)N(C)CCC#N)cc1	ZINC000284826601	537585162	/nfs/dbraw/zinc/58/51/62/537585162.db2.gz	RKWLIZWYZNJOFQ-AWEZNQCLSA-N	1	0	351.472	1.893	20	30		FDEDRO
CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000293783316	537587498	/nfs/dbraw/zinc/58/74/98/537587498.db2.gz	ZOSVBYFROBLCFY-UHFFFAOYSA-N	1	0	353.220	1.279	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1F	ZINC000291428045	537589915	/nfs/dbraw/zinc/58/99/15/537589915.db2.gz	YGFKMQPRERQBQB-SJORKVTESA-N	1	0	374.416	1.130	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1	ZINC000304747994	537598473	/nfs/dbraw/zinc/59/84/73/537598473.db2.gz	GWJXZNGLIDLMPV-MJBXVCDLSA-N	1	0	352.479	1.667	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC(NC(=O)c3ccc[nH]3)CC2)CC1	ZINC000362967491	537600171	/nfs/dbraw/zinc/60/01/71/537600171.db2.gz	REPFDUVRCLXGNM-UHFFFAOYSA-N	1	0	373.501	1.959	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1	ZINC000275935446	537600674	/nfs/dbraw/zinc/60/06/74/537600674.db2.gz	WJFFKXFUPXTOFR-UHFFFAOYSA-N	1	0	358.442	1.884	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(NC(=O)c2cc(C)on2)CC1	ZINC000363021270	537602075	/nfs/dbraw/zinc/60/20/75/537602075.db2.gz	JIYIXWMIXIBGIS-OAHLLOKOSA-N	1	0	362.474	1.990	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1cncc(I)c1	ZINC000293894619	537619716	/nfs/dbraw/zinc/61/97/16/537619716.db2.gz	DQZAOKMOPMXTBD-UHFFFAOYSA-N	1	0	357.195	1.371	20	30		FDEDRO
CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1	ZINC000329028918	537634104	/nfs/dbraw/zinc/63/41/04/537634104.db2.gz	AJEUVVXQOZSVFX-UHFFFAOYSA-N	1	0	366.487	1.890	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)C1	ZINC000329504151	537638031	/nfs/dbraw/zinc/63/80/31/537638031.db2.gz	GZPXBEMGFSOHSK-NVXWUHKLSA-N	1	0	359.474	1.813	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O	ZINC000329595549	537639071	/nfs/dbraw/zinc/63/90/71/537639071.db2.gz	IFOALWORKVOAFO-CVEARBPZSA-N	1	0	364.877	1.895	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CNC(=O)c1cccc(Br)c1	ZINC000294020210	537643049	/nfs/dbraw/zinc/64/30/49/537643049.db2.gz	QKDMWXGHTLIGEH-UHFFFAOYSA-N	1	0	366.259	1.250	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(C)[C@@H](c2nccn2C)C1)[NH+]1CCC(C)CC1	ZINC000329955586	537647526	/nfs/dbraw/zinc/64/75/26/537647526.db2.gz	KUHDBFNNQDGHTP-IAGOWNOFSA-N	1	0	362.522	1.743	20	30		FDEDRO
C[C@H](NC(=O)N1CCc2c(ncn(C)c2=O)C1)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000330064015	537651486	/nfs/dbraw/zinc/65/14/86/537651486.db2.gz	QOJYQVHLDYINRX-GJZGRUSLSA-N	1	0	373.501	1.705	20	30		FDEDRO
CC[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1	ZINC000330230538	537652980	/nfs/dbraw/zinc/65/29/80/537652980.db2.gz	DMTMLRBXHQLGSV-PMPSAXMXSA-N	1	0	353.463	1.081	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000330513597	537657949	/nfs/dbraw/zinc/65/79/49/537657949.db2.gz	CTRSWZURMNITHF-MLYOOKFZSA-N	1	0	363.550	1.387	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2csc(S(N)(=O)=O)c2)C1	ZINC000330669338	537659295	/nfs/dbraw/zinc/65/92/95/537659295.db2.gz	YJLWDLBLJIJLRQ-LBPRGKRZSA-N	1	0	361.489	1.057	20	30		FDEDRO
CNS(=O)(=O)c1cccc(NC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c1	ZINC000330749133	537661009	/nfs/dbraw/zinc/66/10/09/537661009.db2.gz	AUICVSFNPHYLBB-GFCCVEGCSA-N	1	0	352.460	1.571	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C	ZINC000295329787	537712439	/nfs/dbraw/zinc/71/24/39/537712439.db2.gz	OWWPLUSZIRZFRF-HZSPNIEDSA-N	1	0	368.478	1.622	20	30		FDEDRO
C[C@H](c1ccccc1)[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)C(N)=O	ZINC000292373311	537730798	/nfs/dbraw/zinc/73/07/98/537730798.db2.gz	YRWDQBXNGHXHGF-LJHODMEESA-N	1	0	353.422	1.545	20	30		FDEDRO
C=C[C@@H](CO)NC(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1	ZINC000292463372	537738393	/nfs/dbraw/zinc/73/83/93/537738393.db2.gz	PFYNTAAAPAGYEK-SFHVURJKSA-N	1	0	360.502	1.743	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)ccc1F	ZINC000375940440	537809037	/nfs/dbraw/zinc/80/90/37/537809037.db2.gz	GHNQEIADVVGMDC-SWLSCSKDSA-N	1	0	367.446	1.114	20	30		FDEDRO
C=CCN(C(=O)NCc1cnnn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000377030822	537952935	/nfs/dbraw/zinc/95/29/35/537952935.db2.gz	MIHJRWPFMOJRKI-KRWDZBQOSA-N	1	0	354.458	1.787	20	30		FDEDRO
COCCC[N@@H+]1CCCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1	ZINC000377589311	537988387	/nfs/dbraw/zinc/98/83/87/537988387.db2.gz	BOVDCEDWNQSYTL-UHFFFAOYSA-N	1	0	351.472	1.432	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1	ZINC000368924523	537993740	/nfs/dbraw/zinc/99/37/40/537993740.db2.gz	AWEKDYAYEZDFMF-MRXNPFEDSA-N	1	0	363.483	1.461	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+](C)C1CCN(CC(=O)N2CCCC2)CC1	ZINC000369068914	537999781	/nfs/dbraw/zinc/99/97/81/537999781.db2.gz	XZTKFITXXYHRLR-UHFFFAOYSA-N	1	0	362.518	1.206	20	30		FDEDRO
CC[N@H+](CCC1CCN(C(=O)C(=O)N(C)C[C@H](C)C#N)CC1)CC1CC1	ZINC000410856156	538001149	/nfs/dbraw/zinc/00/11/49/538001149.db2.gz	PSOAQYIKJWFTKP-MRXNPFEDSA-N	1	0	362.518	1.965	20	30		FDEDRO
N#Cc1ccccc1OC1CCC(NC(=O)N2CCO[C@H](C[NH3+])C2)CC1	ZINC000417605078	538058068	/nfs/dbraw/zinc/05/80/68/538058068.db2.gz	XBVKVLXFZZUZHF-OFLPRAFFSA-N	1	0	358.442	1.617	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)NC[C@]1(COC)CCC[NH2+]1	ZINC000415463256	538062013	/nfs/dbraw/zinc/06/20/13/538062013.db2.gz	BFWIJEVBNCOOGX-SFHVURJKSA-N	1	0	362.430	1.474	20	30		FDEDRO
N#CCNC(=O)CNC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1	ZINC000378117179	538070759	/nfs/dbraw/zinc/07/07/59/538070759.db2.gz	VHAOICILBWKOOA-QGZVFWFLSA-N	1	0	357.458	1.228	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)o1	ZINC000372981894	538074171	/nfs/dbraw/zinc/07/41/71/538074171.db2.gz	QTQBYEWEWGMLSJ-CVEARBPZSA-N	1	0	357.458	1.766	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)c1	ZINC000415822485	538088481	/nfs/dbraw/zinc/08/84/81/538088481.db2.gz	MDJCIUCSALKTJH-QGZVFWFLSA-N	1	0	358.442	1.941	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)c1ccc(F)c(F)c1	ZINC000419668881	538088786	/nfs/dbraw/zinc/08/87/86/538088786.db2.gz	ASUSYTPMPDEWNO-HNNXBMFYSA-N	1	0	351.397	1.909	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)c1	ZINC000415873296	538090914	/nfs/dbraw/zinc/09/09/14/538090914.db2.gz	UPABGCLDSMPDBZ-CABCVRRESA-N	1	0	356.426	1.376	20	30		FDEDRO
COc1ccccc1CC1(O)CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1	ZINC000370722585	538091161	/nfs/dbraw/zinc/09/11/61/538091161.db2.gz	DEFZDZHXOKVUOP-MRXNPFEDSA-N	1	0	359.470	1.825	20	30		FDEDRO
COc1ccccc1CC1(O)CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1	ZINC000370722583	538091272	/nfs/dbraw/zinc/09/12/72/538091272.db2.gz	DEFZDZHXOKVUOP-INIZCTEOSA-N	1	0	359.470	1.825	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1	ZINC000419878352	538127499	/nfs/dbraw/zinc/12/74/99/538127499.db2.gz	GFNHCFCSKIDWSI-QAPCUYQASA-N	1	0	354.454	1.577	20	30		FDEDRO
N#Cc1cccc(OC2CCN(C(=O)C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)c1	ZINC000419934565	538154786	/nfs/dbraw/zinc/15/47/86/538154786.db2.gz	GFCDHKIOJQRDDY-MRXNPFEDSA-N	1	0	370.453	1.186	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+]	ZINC000420018805	538190158	/nfs/dbraw/zinc/19/01/58/538190158.db2.gz	QIYISWMYBCKGKB-QZTJIDSGSA-N	1	0	356.470	1.929	20	30		FDEDRO
C=CCOc1ccc(C[NH2+]C2(CC(=O)OC)CCS(=O)(=O)CC2)cc1	ZINC000439792096	538195974	/nfs/dbraw/zinc/19/59/74/538195974.db2.gz	YMOOBQRJIJNHRR-UHFFFAOYSA-N	1	0	367.467	1.852	20	30		FDEDRO
C=CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C	ZINC000420073797	538202706	/nfs/dbraw/zinc/20/27/06/538202706.db2.gz	YVRXABOITGYDNE-CJNGLKHVSA-N	1	0	363.433	1.570	20	30		FDEDRO
CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	ZINC000420076806	538204747	/nfs/dbraw/zinc/20/47/47/538204747.db2.gz	BAULDMRNICYYBY-IAGOWNOFSA-N	1	0	356.470	1.918	20	30		FDEDRO
CC1(CNC(=O)C(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC[NH2+]CC1	ZINC000420080386	538208580	/nfs/dbraw/zinc/20/85/80/538208580.db2.gz	GRGQWEWYTUALKB-UHFFFAOYSA-N	1	0	354.454	1.555	20	30		FDEDRO
Cc1cc(NC(=O)CNC(=O)[C@@H]([NH3+])CCCC#N)ccc1Br	ZINC000424115092	538236940	/nfs/dbraw/zinc/23/69/40/538236940.db2.gz	UASCBTRHAPYYPH-ZDUSSCGKSA-N	1	0	367.247	1.833	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NC[C@H](O)COc1ccccc1Br	ZINC000424123425	538241415	/nfs/dbraw/zinc/24/14/15/538241415.db2.gz	KKWKIGLPJIIKMH-AAEUAGOBSA-N	1	0	370.247	1.326	20	30		FDEDRO
CS(=O)(=O)c1ccccc1-n1cc(NC(=O)[C@H]([NH3+])CCCC#N)cn1	ZINC000424135094	538244321	/nfs/dbraw/zinc/24/43/21/538244321.db2.gz	IUBBPYVXVBEANY-CYBMUJFWSA-N	1	0	361.427	1.235	20	30		FDEDRO
COc1cc(CN2CC[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)C2)cc(OC)c1	ZINC000424150814	538245819	/nfs/dbraw/zinc/24/58/19/538245819.db2.gz	ZOSLDZARAPJQPV-CRAIPNDOSA-N	1	0	360.458	1.415	20	30		FDEDRO
CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000424152216	538246973	/nfs/dbraw/zinc/24/69/73/538246973.db2.gz	JBVLDIBMBHVIHT-QYZOEREBSA-N	1	0	358.486	1.803	20	30		FDEDRO
N#Cc1ccc(OCC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1	ZINC000440501282	538247106	/nfs/dbraw/zinc/24/71/06/538247106.db2.gz	DYPKPIGXBNHKTB-NRFANRHFSA-N	1	0	365.433	1.690	20	30		FDEDRO
COc1cccc(OCCN2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)c1	ZINC000424178870	538250626	/nfs/dbraw/zinc/25/06/26/538250626.db2.gz	XPOXJSCXNUNXQD-SFHVURJKSA-N	1	0	360.458	1.239	20	30		FDEDRO
CC#CCCNC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C	ZINC000440698681	538268679	/nfs/dbraw/zinc/26/86/79/538268679.db2.gz	QHAAEDSBEJSLSO-UHFFFAOYSA-N	1	0	356.470	1.605	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1	ZINC000451672564	538297007	/nfs/dbraw/zinc/29/70/07/538297007.db2.gz	IIAMKNAVZJXPLP-MOPGFXCFSA-N	1	0	371.481	1.862	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1	ZINC000451673252	538297786	/nfs/dbraw/zinc/29/77/86/538297786.db2.gz	KKEUHDBGUWCSIH-MNOVXSKESA-N	1	0	363.439	1.903	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N[C@@H](CC[NH3+])C(F)F)cc1Br	ZINC000420470334	538301740	/nfs/dbraw/zinc/30/17/40/538301740.db2.gz	WWJBYIOETSZXBY-JTQLQIEISA-N	1	0	368.203	1.582	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1	ZINC000428823808	538319022	/nfs/dbraw/zinc/31/90/22/538319022.db2.gz	ZBNGNLJTURRXAR-DLBZAZTESA-N	1	0	368.499	1.121	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+]2[C@@H]3CC[C@H]2CN(C)C(=O)C3)c(OC)c1	ZINC000451858701	538329817	/nfs/dbraw/zinc/32/98/17/538329817.db2.gz	JDERPVGPDSFWLE-FGTMMUONSA-N	1	0	374.481	1.859	20	30		FDEDRO
N#C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2CS(=O)(=O)N2CCOCC2)C1	ZINC000442714561	538370539	/nfs/dbraw/zinc/37/05/39/538370539.db2.gz	KBGCCZQLYAGMCE-QAPCUYQASA-N	1	0	363.483	1.630	20	30		FDEDRO
C[NH+](C)CCOC1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1	ZINC000443255324	538394725	/nfs/dbraw/zinc/39/47/25/538394725.db2.gz	WONHWWHUYOYXNM-UHFFFAOYSA-N	1	0	371.890	1.943	20	30		FDEDRO
CC[NH+]1CCN(CC(C)(C)NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC1	ZINC000456905584	538459326	/nfs/dbraw/zinc/45/93/26/538459326.db2.gz	UMRSHTUDDQMPGD-MRXNPFEDSA-N	1	0	358.486	1.858	20	30		FDEDRO
C=CCC[C@@H](CO)NC(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1	ZINC000457670935	538507115	/nfs/dbraw/zinc/50/71/15/538507115.db2.gz	NJGORECIQPNAFF-KRWDZBQOSA-N	1	0	361.490	1.350	20	30		FDEDRO
C=CC[N@@H+](C[C@@H](C)CS(C)(=O)=O)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000466957440	538583374	/nfs/dbraw/zinc/58/33/74/538583374.db2.gz	HJLKZIYXRUJEAT-HUUCEWRRSA-N	1	0	363.487	1.892	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1	ZINC000472159327	538597532	/nfs/dbraw/zinc/59/75/32/538597532.db2.gz	SBOSUJQCKZXDKI-APWZRJJASA-N	1	0	353.470	1.383	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1	ZINC000462363354	538618351	/nfs/dbraw/zinc/61/83/51/538618351.db2.gz	YIFVZOMJIXFDBY-YOEHRIQHSA-N	1	0	365.499	1.563	20	30		FDEDRO
CC[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000560602223	545553976	/nfs/dbraw/zinc/55/39/76/545553976.db2.gz	MAXBPHMSWLEFBT-PMPSAXMXSA-N	1	0	362.499	1.614	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C	ZINC000495217018	538647592	/nfs/dbraw/zinc/64/75/92/538647592.db2.gz	GUGVXHZYXQWFRD-UONOGXRCSA-N	1	0	358.442	1.884	20	30		FDEDRO
CCN(C[C@@H](C)C#N)[C@@H](C)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2	ZINC000488644532	538752234	/nfs/dbraw/zinc/75/22/34/538752234.db2.gz	LTKNXEKIEVJWHP-STQMWFEESA-N	1	0	360.414	1.976	20	30		FDEDRO
CCN(C[C@H](C)C#N)[C@@H](C)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2	ZINC000488644528	538753314	/nfs/dbraw/zinc/75/33/14/538753314.db2.gz	LTKNXEKIEVJWHP-OLZOCXBDSA-N	1	0	360.414	1.976	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1	ZINC000488853920	538770520	/nfs/dbraw/zinc/77/05/20/538770520.db2.gz	LQBHYKMDCXXJDK-SFHVURJKSA-N	1	0	360.502	1.541	20	30		FDEDRO
CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000503454751	538803820	/nfs/dbraw/zinc/80/38/20/538803820.db2.gz	RTTIUHIVEVVCAL-IXDOHACOSA-N	1	0	352.548	1.943	20	30		FDEDRO
CCOC[C@H]([NH2+]CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C(C)C	ZINC000503463399	538804626	/nfs/dbraw/zinc/80/46/26/538804626.db2.gz	NOVSSHRSRMTZRC-INIZCTEOSA-N	1	0	363.462	1.154	20	30		FDEDRO
Cc1ncc(S(=O)(=O)NCC2([NH+](C)C)Cc3ccccc3C2)cc1C#N	ZINC000489550458	538822791	/nfs/dbraw/zinc/82/27/91/538822791.db2.gz	PQZHKGYOUUIYOS-UHFFFAOYSA-N	1	0	370.478	1.639	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCO[C@H](C(C)C)C2)CC1	ZINC000561412997	545838438	/nfs/dbraw/zinc/83/84/38/545838438.db2.gz	WKJJSIJYGWGWEU-IRXDYDNUSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CC[C@@H]1N(C(=O)C(=O)N[C@H]2CC[N@@H+](CCOC)C2)CCCC1(C)C	ZINC000561452275	545857903	/nfs/dbraw/zinc/85/79/03/545857903.db2.gz	QRMWHFGUEFAWFK-HOTGVXAUSA-N	1	0	351.491	1.417	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1	ZINC000562448355	546143625	/nfs/dbraw/zinc/14/36/25/546143625.db2.gz	KGNAAKMBXMUIGW-HNNXBMFYSA-N	1	0	356.426	1.638	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NCC3([NH3+])CCCCCC3)CC2)nc1	ZINC000562812686	546279798	/nfs/dbraw/zinc/27/97/98/546279798.db2.gz	NMGDBVUIZXNROL-UHFFFAOYSA-N	1	0	356.474	1.837	20	30		FDEDRO
N#Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)n1	ZINC000563099826	546403225	/nfs/dbraw/zinc/40/32/25/546403225.db2.gz	UCDYXXSGPIRFJH-WMZOPIPTSA-N	1	0	365.437	1.958	20	30		FDEDRO
C=CCn1c(CC(F)(F)F)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000563126149	546416903	/nfs/dbraw/zinc/41/69/03/546416903.db2.gz	PUUFEZZMFMWHCE-CYBMUJFWSA-N	1	0	359.396	1.727	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]C[C@@H]3C[C@@H](O)CN3Cc3ccccc3)cnc12	ZINC000563149081	546425507	/nfs/dbraw/zinc/42/55/07/546425507.db2.gz	DQPMLRSHTUVJJU-RBUKOAKNSA-N	1	0	362.437	1.326	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)cc1	ZINC000563427429	546530074	/nfs/dbraw/zinc/53/00/74/546530074.db2.gz	WYRADVVEMGWCHM-UHFFFAOYSA-N	1	0	364.405	1.338	20	30		FDEDRO
CC(C)[NH2+]CCCNC(=O)C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	ZINC000563648513	546631953	/nfs/dbraw/zinc/63/19/53/546631953.db2.gz	YKGRNUBJMYZRKE-ZWKOTPCHSA-N	1	0	356.470	1.789	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC(OCC(C)C)CC2)CC1	ZINC000563876764	546718469	/nfs/dbraw/zinc/71/84/69/546718469.db2.gz	IHIBCXNEPLIJRY-UHFFFAOYSA-N	1	0	351.491	1.417	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1cccc(Cl)c1C#N	ZINC000564098160	546808271	/nfs/dbraw/zinc/80/82/71/546808271.db2.gz	ZMSVLBWCUSLGHA-UHFFFAOYSA-N	1	0	358.895	1.373	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCc2cnc(C3CC3)nc2)cc1	ZINC000564722922	547015665	/nfs/dbraw/zinc/01/56/65/547015665.db2.gz	YAILMBZRQBDYGS-UHFFFAOYSA-N	1	0	356.451	1.832	20	30		FDEDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC#Cc2cccc(C(F)(F)F)c2)c1	ZINC000564846617	547065380	/nfs/dbraw/zinc/06/53/80/547065380.db2.gz	QMPRFECMSIZVQN-HNNXBMFYSA-N	1	0	368.315	1.812	20	30		FDEDRO
Cc1nccn1CCCCNC(=O)C(=O)NCc1ccc(CC#N)cc1	ZINC000564949122	547122020	/nfs/dbraw/zinc/12/20/20/547122020.db2.gz	VQKSLKWGMNSKCF-UHFFFAOYSA-N	1	0	353.426	1.470	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](N3CCC(CO)([NH2+]CC4CC4)CC3)C2=O)cc1	ZINC000565050020	547175712	/nfs/dbraw/zinc/17/57/12/547175712.db2.gz	WEMSAIOGCBOKKY-IBGZPJMESA-N	1	0	368.481	1.490	20	30		FDEDRO
CCc1ccc([C@H](CNC(=O)Cn2cnc(C#N)n2)[NH+](CC)CC)cc1	ZINC000565140323	547217527	/nfs/dbraw/zinc/21/75/27/547217527.db2.gz	LYYGQHCYBQTEEF-KRWDZBQOSA-N	1	0	354.458	1.911	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCc3nnnn3CC2)c(OC)c1	ZINC000566119225	547613671	/nfs/dbraw/zinc/61/36/71/547613671.db2.gz	UQACLNIPWHBGTI-HZPDHXFCSA-N	1	0	373.457	1.145	20	30		FDEDRO
Cc1ccccc1C[NH+]1CCC(NC(=O)Cn2cnc(C#N)cc2=O)CC1	ZINC000566213858	547663571	/nfs/dbraw/zinc/66/35/71/547663571.db2.gz	ADVAUOAWDZWEJB-UHFFFAOYSA-N	1	0	365.437	1.204	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1	ZINC000566402989	547741998	/nfs/dbraw/zinc/74/19/98/547741998.db2.gz	DMVDDSDYKBNDHK-AWEZNQCLSA-N	1	0	351.410	1.769	20	30		FDEDRO
C[NH+](C)CCn1ccc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)n1	ZINC000566456513	547767656	/nfs/dbraw/zinc/76/76/56/547767656.db2.gz	AMHQUYIHMASMEK-UHFFFAOYSA-N	1	0	352.442	1.537	20	30		FDEDRO
CC[NH+](CC)CCOc1ccc(C(=O)N2CCN(C(=O)CC#N)CC2)cc1	ZINC000566864877	547912399	/nfs/dbraw/zinc/91/23/99/547912399.db2.gz	CEHFAYKDMOHVLV-UHFFFAOYSA-N	1	0	372.469	1.605	20	30		FDEDRO
C=CCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000566883585	547917196	/nfs/dbraw/zinc/91/71/96/547917196.db2.gz	FKDHMQKAYFRHRP-QGZVFWFLSA-N	1	0	355.490	1.999	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[C@H]4C[N@@H+](C)C[C@H]43)CC2)o1	ZINC000567712483	548224536	/nfs/dbraw/zinc/22/45/36/548224536.db2.gz	RZPNJCPSJSZVEU-DOTOQJQBSA-N	1	0	357.458	1.624	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)CSCC3CC[NH2+]CC3)CC2)o1	ZINC000567810451	548269758	/nfs/dbraw/zinc/26/97/58/548269758.db2.gz	XVJSVZUFOKRDPQ-UHFFFAOYSA-N	1	0	363.487	1.236	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1	ZINC000567872854	548301463	/nfs/dbraw/zinc/30/14/63/548301463.db2.gz	IJWJIHJKHDAVKU-HOJAQTOUSA-N	1	0	374.481	1.792	20	30		FDEDRO
Cc1cc(N2CCC[C@H]([NH2+]Cc3cnc4c(C#N)cnn4c3)C2)n(C)n1	ZINC000568983428	548755556	/nfs/dbraw/zinc/75/55/56/548755556.db2.gz	JLXMBRKZZDMBHL-INIZCTEOSA-N	1	0	350.430	1.402	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1	ZINC000569575575	548966355	/nfs/dbraw/zinc/96/63/55/548966355.db2.gz	OQZIMHHCHYJTSO-HUUCEWRRSA-N	1	0	372.469	1.681	20	30		FDEDRO
O=C(NCC#Cc1cccc(C(F)(F)F)c1)NC[C@H]1C[NH2+]CCCO1	ZINC000569576299	548967958	/nfs/dbraw/zinc/96/79/58/548967958.db2.gz	XFSKOFXEXXUQFC-OAHLLOKOSA-N	1	0	355.360	1.735	20	30		FDEDRO
CN(C)C[C@@](C)(C#N)NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1	ZINC000569932051	549099647	/nfs/dbraw/zinc/09/96/47/549099647.db2.gz	USSPAHGNYDVMCL-HXUWFJFHSA-N	1	0	357.502	1.549	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)cc1	ZINC000570111552	549162391	/nfs/dbraw/zinc/16/23/91/549162391.db2.gz	ULCCJTAWSPSBIE-HOJAQTOUSA-N	1	0	360.454	1.402	20	30		FDEDRO
N#CCCC1CCN(C(=O)C(=O)NCCC[NH2+]Cc2cccnc2)CC1	ZINC000570279768	549223520	/nfs/dbraw/zinc/22/35/20/549223520.db2.gz	METNAKLDGPQVBT-UHFFFAOYSA-N	1	0	357.458	1.220	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2OC)[C@@H](C)C1	ZINC000570560474	549325345	/nfs/dbraw/zinc/32/53/45/549325345.db2.gz	RHDXOGKPIPLFOJ-XJKSGUPXSA-N	1	0	358.442	1.694	20	30		FDEDRO
CC[NH+]1CCC(CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1	ZINC000570649937	549359960	/nfs/dbraw/zinc/35/99/60/549359960.db2.gz	KGWIUVPBAVEGBZ-UHFFFAOYSA-N	1	0	356.474	1.517	20	30		FDEDRO
C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)C1	ZINC000570744258	549394992	/nfs/dbraw/zinc/39/49/92/549394992.db2.gz	JBDUJCWWVCIALN-SFHVURJKSA-N	1	0	354.454	1.365	20	30		FDEDRO
COCCN(C)C[C@H](O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000570812520	549421718	/nfs/dbraw/zinc/42/17/18/549421718.db2.gz	BUVQOTSRQGOOJX-IBGZPJMESA-N	1	0	374.485	1.148	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCOC3(CCCC3)C2)CC1	ZINC000571152928	549543416	/nfs/dbraw/zinc/54/34/16/549543416.db2.gz	YWSGWTXTJFGZBR-KRWDZBQOSA-N	1	0	363.502	1.751	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1	ZINC000571162086	549548407	/nfs/dbraw/zinc/54/84/07/549548407.db2.gz	BRJADNALIJBZND-SJORKVTESA-N	1	0	364.877	1.851	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[N@@H+](CCC)[C@@H]1CC(=O)N(C)C1=O	ZINC000571265757	549583636	/nfs/dbraw/zinc/58/36/36/549583636.db2.gz	OFVQCTGJWBYLIX-IAGOWNOFSA-N	1	0	360.454	1.624	20	30		FDEDRO
C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)N1CCc2ccccc21	ZINC000571362023	549617322	/nfs/dbraw/zinc/61/73/22/549617322.db2.gz	LLELABVVGDWNSY-HNNXBMFYSA-N	1	0	370.478	1.768	20	30		FDEDRO
C[C@@H]([NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(C#N)cc1	ZINC000571836754	549778028	/nfs/dbraw/zinc/77/80/28/549778028.db2.gz	LCCRQGVHRZUHKM-RHSMWYFYSA-N	1	0	350.488	1.870	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)n2)c(F)c1	ZINC000572344929	549894104	/nfs/dbraw/zinc/89/41/04/549894104.db2.gz	BZWMLASOVQLYEC-UONOGXRCSA-N	1	0	354.389	1.956	20	30		FDEDRO
C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cn2)C1	ZINC000572345958	549894110	/nfs/dbraw/zinc/89/41/10/549894110.db2.gz	ZJAVKFDAKDQBGW-RHSMWYFYSA-N	1	0	363.421	1.843	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C[C@H](O)COC(c1ccccc1)c1ccccc1	ZINC000572476719	549922708	/nfs/dbraw/zinc/92/27/08/549922708.db2.gz	DRFURBCTSJZPKH-SFHVURJKSA-N	1	0	353.422	1.383	20	30		FDEDRO
N#Cc1ncn(CC(=O)N2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)n1	ZINC000572731451	549982172	/nfs/dbraw/zinc/98/21/72/549982172.db2.gz	ZOZJPUVTVWGOHT-DLBZAZTESA-N	1	0	352.442	1.348	20	30		FDEDRO
C[NH+](C)CCOc1cccc(CNC(=O)C(=O)Nc2cccc(C#N)n2)c1	ZINC000572999411	550041859	/nfs/dbraw/zinc/04/18/59/550041859.db2.gz	VXWVILRRQNAEQF-UHFFFAOYSA-N	1	0	367.409	1.149	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)Oc2ccccc2)CC1	ZINC000573117362	550068497	/nfs/dbraw/zinc/06/84/97/550068497.db2.gz	JOSJMAMBFRXARS-UHFFFAOYSA-N	1	0	359.470	1.727	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1	ZINC000573678128	550190550	/nfs/dbraw/zinc/19/05/50/550190550.db2.gz	NVLIVJQKJSETDS-RTBURBONSA-N	1	0	358.486	1.016	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]Cc2ccccc2Cn2cncn2)cc1	ZINC000573834177	550219214	/nfs/dbraw/zinc/21/92/14/550219214.db2.gz	OPYJYIBNTLSGFJ-IBGZPJMESA-N	1	0	363.421	1.728	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]CC3CCN(CC(F)(F)F)CC3)cnc12	ZINC000574323848	550296198	/nfs/dbraw/zinc/29/61/98/550296198.db2.gz	MTBDKDCLFPTBNV-UHFFFAOYSA-N	1	0	352.364	1.965	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)[C@@]3(c4ccccc4)CC[NH2+]C3)CC2)c1	ZINC000574364288	550302074	/nfs/dbraw/zinc/30/20/74/550302074.db2.gz	VCAQBCDUDZHZGH-NRFANRHFSA-N	1	0	361.449	1.533	20	30		FDEDRO
CSC1(CNC(=O)C(=O)Nc2cccc(C#N)c2C)CC[NH+](C)CC1	ZINC000574491317	550322501	/nfs/dbraw/zinc/32/25/01/550322501.db2.gz	GKDFPTQKXYRWFG-UHFFFAOYSA-N	1	0	360.483	1.749	20	30		FDEDRO
N#Cc1ccc(-c2nnc(CN3CCC(CO)([NH2+]CC4CC4)CC3)o2)cc1	ZINC000574879728	550385883	/nfs/dbraw/zinc/38/58/83/550385883.db2.gz	JCCAJMJFWDACRL-UHFFFAOYSA-N	1	0	367.453	1.935	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1	ZINC000574988885	550405080	/nfs/dbraw/zinc/40/50/80/550405080.db2.gz	SYIPBHPRUUUWOA-OLZOCXBDSA-N	1	0	364.427	1.477	20	30		FDEDRO
COc1ccc(Cl)cc1N1CC[C@@H]([NH2+]C[C@@H](O)CN(C)CCC#N)C1	ZINC000575248419	550449963	/nfs/dbraw/zinc/44/99/63/550449963.db2.gz	GUQIOHPAIZOUHY-HZPDHXFCSA-N	1	0	366.893	1.723	20	30		FDEDRO
C=CCn1c(-c2ncccc2C)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000575883997	550486908	/nfs/dbraw/zinc/48/69/08/550486908.db2.gz	AQRGMTXVAKHDSH-KRWDZBQOSA-N	1	0	368.485	1.993	20	30		FDEDRO
C[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000576212140	550523531	/nfs/dbraw/zinc/52/35/31/550523531.db2.gz	AHSKPTWTDQAUCM-IAGOWNOFSA-N	1	0	355.442	1.053	20	30		FDEDRO
C=CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000577190539	550630539	/nfs/dbraw/zinc/63/05/39/550630539.db2.gz	RNHKQVKXAAKIGV-IAGOWNOFSA-N	1	0	361.490	1.864	20	30		FDEDRO
C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000577275334	550639449	/nfs/dbraw/zinc/63/94/49/550639449.db2.gz	UYVNHLMCGVWNKF-XHSDSOJGSA-N	1	0	364.515	1.683	20	30		FDEDRO
CN1CC[NH2+]C[C@H]1CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000577607130	550675057	/nfs/dbraw/zinc/67/50/57/550675057.db2.gz	SCZJJRQBNUEREU-INIZCTEOSA-N	1	0	357.458	1.015	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000577665339	550681552	/nfs/dbraw/zinc/68/15/52/550681552.db2.gz	NCPCUECCQZAGGQ-ZWKOTPCHSA-N	1	0	362.499	1.531	20	30		FDEDRO
CC(C)CN1C[C@H]2C[N@H+](CCC(=O)Nc3ccc(C#N)cc3)CCN2C1=O	ZINC000578512911	550771870	/nfs/dbraw/zinc/77/18/70/550771870.db2.gz	CQIHCENAVITYOL-GOSISDBHSA-N	1	0	369.469	1.965	20	30		FDEDRO
CC(=O)NCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1CCSCC1	ZINC000578554809	550776716	/nfs/dbraw/zinc/77/67/16/550776716.db2.gz	ZADYMQKOBOZIMI-KRWDZBQOSA-N	1	0	354.520	1.375	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CCc1nc(-c2ccccc2)no1	ZINC000578735842	550795368	/nfs/dbraw/zinc/79/53/68/550795368.db2.gz	URBQIGZQIGEJLR-UHFFFAOYSA-N	1	0	351.414	2.021	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N(C)CCC[N@H+](C)Cc2ccco2)ncc1C#N	ZINC000578785149	550801821	/nfs/dbraw/zinc/80/18/21/550801821.db2.gz	DJAJZZMKQSPGKV-UHFFFAOYSA-N	1	0	369.425	1.774	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](C[NH3+])C2)cc1Br	ZINC000579229617	550850180	/nfs/dbraw/zinc/85/01/80/550850180.db2.gz	MDWIDHAGGCNRSM-JTQLQIEISA-N	1	0	358.261	1.680	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1	ZINC000579431729	550872571	/nfs/dbraw/zinc/87/25/71/550872571.db2.gz	NNOVPFKPTKUOIT-DODZYUBVSA-N	1	0	350.507	1.662	20	30		FDEDRO
C[C@H](NC(=O)c1ccc(C#Cc2ccccc2)cc1)C(=O)NCC[NH+](C)C	ZINC000579494168	550879671	/nfs/dbraw/zinc/87/96/71/550879671.db2.gz	ZLFDMQZVKIBHDT-KRWDZBQOSA-N	1	0	363.461	1.883	20	30		FDEDRO
CSC[C@@H](C)C(=O)N1CCC(C(=O)N[C@](C)(C#N)CN(C)C)CC1	ZINC000579598626	550890863	/nfs/dbraw/zinc/89/08/63/550890863.db2.gz	MDMXJRDJNLMXCG-CXAGYDPISA-N	1	0	354.520	1.184	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1	ZINC000579919530	550923128	/nfs/dbraw/zinc/92/31/28/550923128.db2.gz	CQWYKZLHHVQMEX-MOPGFXCFSA-N	1	0	371.481	1.199	20	30		FDEDRO
COCCOCCn1c2c(cc(C#N)c1=O)C[N@@H+](Cc1ccccc1)CC2	ZINC000580784833	551018557	/nfs/dbraw/zinc/01/85/57/551018557.db2.gz	DEXLGHCWSHNDDT-UHFFFAOYSA-N	1	0	367.449	1.941	20	30		FDEDRO
C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)[C@H](O)Cc1ccccc1	ZINC000581071769	551049241	/nfs/dbraw/zinc/04/92/41/551049241.db2.gz	IXRFQVBIIKOQSD-RHSMWYFYSA-N	1	0	359.451	1.309	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)n1	ZINC000581190198	551062186	/nfs/dbraw/zinc/06/21/86/551062186.db2.gz	STHITDGKEVQWFJ-QGZVFWFLSA-N	1	0	363.421	1.845	20	30		FDEDRO
Cn1nccc1[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)CCO1	ZINC000581306085	551074172	/nfs/dbraw/zinc/07/41/72/551074172.db2.gz	NTSMPJLBWWVDLF-GJYPPUQNSA-N	1	0	356.426	1.541	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1	ZINC000581318992	551076045	/nfs/dbraw/zinc/07/60/45/551076045.db2.gz	NQSIWCMUQYIQSS-WKILWMFISA-N	1	0	361.442	1.510	20	30		FDEDRO
CCOc1ccc(NC(=O)C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)cc1	ZINC000581484021	551093595	/nfs/dbraw/zinc/09/35/95/551093595.db2.gz	PYUAIPLLURTIRD-QGZVFWFLSA-N	1	0	369.421	1.925	20	30		FDEDRO
CC[N@H+](C)CCNS(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000581514636	551098225	/nfs/dbraw/zinc/09/82/25/551098225.db2.gz	ZDNCJALLGRUDOO-UHFFFAOYSA-N	1	0	364.240	1.690	20	30		FDEDRO
C[C@H]1C[C@H](C)C[NH+](CCCNCCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000581632592	551114402	/nfs/dbraw/zinc/11/44/02/551114402.db2.gz	ZXRVJBUCBXHJME-HOTGVXAUSA-N	1	0	364.515	1.685	20	30		FDEDRO
CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000582155253	551183264	/nfs/dbraw/zinc/18/32/64/551183264.db2.gz	SARUMUPAZKXUSH-INIZCTEOSA-N	1	0	358.490	1.905	20	30		FDEDRO
C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000582723989	551259835	/nfs/dbraw/zinc/25/98/35/551259835.db2.gz	XKBMNXACPDTWEM-CHWSQXEVSA-N	1	0	372.429	1.764	20	30		FDEDRO
CC[NH+](CC)CCOC1CCN(S(=O)(=O)c2cncc(C#N)c2)CC1	ZINC000582933717	551282814	/nfs/dbraw/zinc/28/28/14/551282814.db2.gz	NCRGSMIIBIUNFQ-UHFFFAOYSA-N	1	0	366.487	1.465	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H](C)C[N@H+](C)C(C)C	ZINC000583351289	551338944	/nfs/dbraw/zinc/33/89/44/551338944.db2.gz	RYOUJNYNKNFRHG-CQSZACIVSA-N	1	0	355.446	2.298	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(Cc3cnc4c(C#N)cnn4c3)CC2)CC1	ZINC000583441420	551352295	/nfs/dbraw/zinc/35/22/95/551352295.db2.gz	ATUJZAUAOGSFFE-UHFFFAOYSA-N	1	0	367.501	1.591	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)cc1	ZINC000583626825	551378730	/nfs/dbraw/zinc/37/87/30/551378730.db2.gz	MPKWLVVYVURYOS-POAQFYNOSA-N	1	0	369.421	1.713	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](CNCCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000583688527	551387951	/nfs/dbraw/zinc/38/79/51/551387951.db2.gz	NLTVPFSWVNOGNC-MRXNPFEDSA-N	1	0	350.488	1.294	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]CCNC(=O)CCCc3ccccc3)cnc12	ZINC000583694021	551388625	/nfs/dbraw/zinc/38/86/25/551388625.db2.gz	SZRYUZSNTJQQPM-UHFFFAOYSA-N	1	0	362.437	1.830	20	30		FDEDRO
C[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)N1CCC(C)CC1	ZINC000583866741	551412941	/nfs/dbraw/zinc/41/29/41/551412941.db2.gz	FWRJOCMJEBKGTD-OAHLLOKOSA-N	1	0	350.488	1.437	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCc2nc(CC)nn2C1	ZINC000584072124	551442959	/nfs/dbraw/zinc/44/29/59/551442959.db2.gz	SSNOLFWJIUVFSR-IRXDYDNUSA-N	1	0	356.470	1.913	20	30		FDEDRO
CC[N@H+](CCNC(=O)N1CCN(c2snc(C)c2C#N)CC1)C(C)C	ZINC000584383755	551488829	/nfs/dbraw/zinc/48/88/29/551488829.db2.gz	OMUBAFGSMOJKFY-UHFFFAOYSA-N	1	0	364.519	1.885	20	30		FDEDRO
CS(=O)(=O)CC1(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CCC1	ZINC000584465052	551501262	/nfs/dbraw/zinc/50/12/62/551501262.db2.gz	QWIBXFGFZSHOGU-INIZCTEOSA-N	1	0	366.483	1.297	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN(CC(=O)N(CCC#N)c2ccccc2)CC1	ZINC000584787628	551549039	/nfs/dbraw/zinc/54/90/39/551549039.db2.gz	GGRMNZPARDKTAR-UHFFFAOYSA-N	1	0	358.486	1.758	20	30		FDEDRO
CCCN(CC[NH+](CC)CC)C(=O)C(=O)NCc1ccc(C#N)cc1F	ZINC000586862209	551626990	/nfs/dbraw/zinc/62/69/90/551626990.db2.gz	NGBDTGQFJWOJBK-UHFFFAOYSA-N	1	0	362.449	1.894	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)c1cccc(C#N)c1	ZINC000587689641	551633744	/nfs/dbraw/zinc/63/37/44/551633744.db2.gz	LEWJCHKSYQQUFO-WBAXXEDZSA-N	1	0	354.454	1.678	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1cccc(C#N)c1	ZINC000587705936	551634574	/nfs/dbraw/zinc/63/45/74/551634574.db2.gz	TUWSRTZGGPDELI-WBVHZDCISA-N	1	0	354.454	1.680	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1cccc(C#N)c1	ZINC000587730431	551635294	/nfs/dbraw/zinc/63/52/94/551635294.db2.gz	NCHDEEFXZSVLTN-MAUKXSAKSA-N	1	0	354.454	1.822	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)NC2CCN(CC#N)CC2)CC[N@@H+]1Cc1ccccc1	ZINC000588341457	551667885	/nfs/dbraw/zinc/66/78/85/551667885.db2.gz	QWBFHKFROSSERR-APWZRJJASA-N	1	0	355.486	1.937	20	30		FDEDRO
N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H](CO)C[NH+]2CCCC2)o1	ZINC000588869256	551695146	/nfs/dbraw/zinc/69/51/46/551695146.db2.gz	JSBNWPGLWCXADV-MRXNPFEDSA-N	1	0	369.421	1.917	20	30		FDEDRO
CCCN(CC[NH+]1CCCCCC1)S(=O)(=O)N(CCC#N)CCOC	ZINC000588904336	551698280	/nfs/dbraw/zinc/69/82/80/551698280.db2.gz	DMOQOAWSZCOPFR-UHFFFAOYSA-N	1	0	374.551	1.681	20	30		FDEDRO
C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000588967457	551701576	/nfs/dbraw/zinc/70/15/76/551701576.db2.gz	SCNGYUVQUBZZJN-WMLDXEAASA-N	1	0	359.451	1.481	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2cc(O)cc(C#N)c2)CC1	ZINC000589175120	551715380	/nfs/dbraw/zinc/71/53/80/551715380.db2.gz	COXKPRLWQYMFJF-IYBDPMFKSA-N	1	0	356.470	1.894	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](C)C[N@H+](C)C(C)C	ZINC000589536784	551735247	/nfs/dbraw/zinc/73/52/47/551735247.db2.gz	HOGPPNAFMVHBRL-ZDUSSCGKSA-N	1	0	356.474	1.995	20	30		FDEDRO
CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(C#N)cn1	ZINC000590246920	551767179	/nfs/dbraw/zinc/76/71/79/551767179.db2.gz	YDSNRGHRSDWKMJ-HOTGVXAUSA-N	1	0	357.458	1.909	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1C#N	ZINC000590280426	551769481	/nfs/dbraw/zinc/76/94/81/551769481.db2.gz	HJLKEFRUFRQQNH-XJKSGUPXSA-N	1	0	356.426	1.446	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21	ZINC000590442413	551784813	/nfs/dbraw/zinc/78/48/13/551784813.db2.gz	GMLCPXSFVDWOMO-YOEHRIQHSA-N	1	0	352.442	1.313	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCSC[C@@H]2C2CC2)CC1	ZINC000590758740	551813311	/nfs/dbraw/zinc/81/33/11/551813311.db2.gz	NGUYJLDHMFUPQF-IAGOWNOFSA-N	1	0	350.532	1.506	20	30		FDEDRO
CN(C)C(=O)N[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000590764172	551814338	/nfs/dbraw/zinc/81/43/38/551814338.db2.gz	CTRYDXRTJOHPJR-SJORKVTESA-N	1	0	360.458	1.228	20	30		FDEDRO
C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)COc2cccc(Br)c2C#N)C1	ZINC000590765321	551814636	/nfs/dbraw/zinc/81/46/36/551814636.db2.gz	IRAODICSRXGVMQ-FZMZJTMJSA-N	1	0	364.243	1.862	20	30		FDEDRO
N#Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+]2CCCO)cc1Cl	ZINC000590941107	551828487	/nfs/dbraw/zinc/82/84/87/551828487.db2.gz	IGWIDJSBVZDQFO-HNNXBMFYSA-N	1	0	350.850	1.858	20	30		FDEDRO
CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	ZINC000591305247	551859562	/nfs/dbraw/zinc/85/95/62/551859562.db2.gz	ONNNXLSVTNBMAG-CYBMUJFWSA-N	1	0	367.409	1.798	20	30		FDEDRO
C[C@@H]1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[C@H]1C[NH3+]	ZINC000591350555	551864995	/nfs/dbraw/zinc/86/49/95/551864995.db2.gz	OPBIUQREWUDNDQ-GDBMZVCRSA-N	1	0	356.474	1.548	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])c(F)c1	ZINC000591351108	551865042	/nfs/dbraw/zinc/86/50/42/551865042.db2.gz	YZENIEDSXJXWSF-HNNXBMFYSA-N	1	0	361.421	1.226	20	30		FDEDRO
C[C@@H](NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(C#N)c1	ZINC000591353723	551865155	/nfs/dbraw/zinc/86/51/55/551865155.db2.gz	LMYCPCWQOQGAQJ-IUODEOHRSA-N	1	0	369.391	1.755	20	30		FDEDRO
CC[C@@H]1CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC[C@H]1[NH3+]	ZINC000591357149	551865665	/nfs/dbraw/zinc/86/56/65/551865665.db2.gz	VYTOIUCNWWSMBW-KURKYZTESA-N	1	0	369.469	1.428	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H](C[NH3+])C3CCCC3)C2=O)cc1	ZINC000591357134	551865711	/nfs/dbraw/zinc/86/57/11/551865711.db2.gz	OQOLHAZISOUDTO-ROUUACIJSA-N	1	0	369.469	1.476	20	30		FDEDRO
N#C[C@H]1CN(C(=O)NCC[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1	ZINC000591359542	551865953	/nfs/dbraw/zinc/86/59/53/551865953.db2.gz	LFWWZKJYLCMKQY-MJGOQNOKSA-N	1	0	355.486	1.796	20	30		FDEDRO
C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000591360611	551866267	/nfs/dbraw/zinc/86/62/67/551866267.db2.gz	PBFIIXBBKVEDOX-SWLSCSKDSA-N	1	0	358.446	1.253	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1	ZINC000591574902	551880744	/nfs/dbraw/zinc/88/07/44/551880744.db2.gz	PTWNTVINPMAZFS-MSOLQXFVSA-N	1	0	354.454	1.507	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]CCCN2CCCCCC2=O)cc1	ZINC000591723188	551903253	/nfs/dbraw/zinc/90/32/53/551903253.db2.gz	KNMWBZBONBTDNY-SFHVURJKSA-N	1	0	359.470	1.875	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCC(=O)NC2CCCCC2)nc1	ZINC000591727482	551903915	/nfs/dbraw/zinc/90/39/15/551903915.db2.gz	BMKHAGSTYYECRZ-UHFFFAOYSA-N	1	0	364.471	1.156	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)cc1	ZINC000591736731	551904760	/nfs/dbraw/zinc/90/47/60/551904760.db2.gz	KZYKPMLLWUYIQU-JSGCOSHPSA-N	1	0	357.332	1.051	20	30		FDEDRO
CC(C)(C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H]1CCCCO1	ZINC000591753928	551905935	/nfs/dbraw/zinc/90/59/35/551905935.db2.gz	QMKINZPLBGCIAJ-HNNXBMFYSA-N	1	0	351.472	1.912	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)cc1	ZINC000591754796	551906361	/nfs/dbraw/zinc/90/63/61/551906361.db2.gz	ZGFPXGMXVGEWLX-QZTJIDSGSA-N	1	0	357.454	1.679	20	30		FDEDRO
CCO[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)[C@@]12CCCO2	ZINC000591760184	551906833	/nfs/dbraw/zinc/90/68/33/551906833.db2.gz	WCBINACYENOZAS-KURKYZTESA-N	1	0	364.467	1.648	20	30		FDEDRO
C[C@@H]1CN(CCC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCCO1	ZINC000591763560	551906861	/nfs/dbraw/zinc/90/68/61/551906861.db2.gz	FBUQTXLDXCDBSK-MRXNPFEDSA-N	1	0	365.499	1.422	20	30		FDEDRO
CC[NH+](CC)[C@H](CNC(=O)N1CC[C@](O)(CC#N)C1)Cc1ccccc1	ZINC000591912603	551916077	/nfs/dbraw/zinc/91/60/77/551916077.db2.gz	QCYYCSHDEPKFJA-AZUAARDMSA-N	1	0	358.486	2.000	20	30		FDEDRO
Cc1nn(C)c(N2CCN(c3nc(N)[nH+]c4c3CCCC4)CC2)c1C#N	ZINC000591934371	551918320	/nfs/dbraw/zinc/91/83/20/551918320.db2.gz	XBRRJRWDSNAXAA-UHFFFAOYSA-N	1	0	352.446	1.178	20	30		FDEDRO
CN(CCOc1ccc(S(N)(=O)=O)cc1F)Cc1ccncc1C#N	ZINC000592127276	551946509	/nfs/dbraw/zinc/94/65/09/551946509.db2.gz	ZMKVUHNXXJERMY-UHFFFAOYSA-N	1	0	364.402	1.251	20	30		FDEDRO
Cc1oc(NC(=O)[C@@H](C)N2CCOC3(CC[NH+](C)CC3)C2)c(C#N)c1C	ZINC000592183824	551954770	/nfs/dbraw/zinc/95/47/70/551954770.db2.gz	BVTSQFGPDKBAMK-CQSZACIVSA-N	1	0	360.458	1.892	20	30		FDEDRO
COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000592209158	551960557	/nfs/dbraw/zinc/96/05/57/551960557.db2.gz	VMYMNCJHKHAOSK-WBVHZDCISA-N	1	0	354.410	1.315	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C	ZINC000592221115	551962691	/nfs/dbraw/zinc/96/26/91/551962691.db2.gz	BCWOKWYNBLABJO-CQSZACIVSA-N	1	0	373.457	1.929	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC)cc2OC)CC1	ZINC000592359221	551984192	/nfs/dbraw/zinc/98/41/92/551984192.db2.gz	UXRVLXATHNZQSU-UHFFFAOYSA-N	1	0	361.442	1.799	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1	ZINC000592381612	551986400	/nfs/dbraw/zinc/98/64/00/551986400.db2.gz	YVIIWOFWOSDSBS-ZWNOBZJWSA-N	1	0	370.272	1.693	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1Br	ZINC000592381461	551986431	/nfs/dbraw/zinc/98/64/31/551986431.db2.gz	ORFBUHBDWUPBJH-HZMBPMFUSA-N	1	0	370.272	1.693	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2CCCc3c2cnn3CCO)c1	ZINC000592429327	551994250	/nfs/dbraw/zinc/99/42/50/551994250.db2.gz	HCDDXVZPFCJMBX-KRWDZBQOSA-N	1	0	374.466	1.188	20	30		FDEDRO
N#Cc1cnn2c1NC[C@H](C[NH2+]CC1(CO)CC(c3ccccc3)C1)C2	ZINC000592513968	552004042	/nfs/dbraw/zinc/00/40/42/552004042.db2.gz	MLXRJAXIZLBFGT-FVWXCPNNSA-N	1	0	351.454	1.942	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(C(=O)CC(C)(C)C)CC2)CC1	ZINC000592526157	552004816	/nfs/dbraw/zinc/00/48/16/552004816.db2.gz	YMKIXPLNBHXCPU-UHFFFAOYSA-N	1	0	350.507	1.927	20	30		FDEDRO
CC(C)(C)OC(=O)C1(C[NH2+]Cc2cnc3c(C#N)cnn3c2)CCOCC1	ZINC000592527296	552005053	/nfs/dbraw/zinc/00/50/53/552005053.db2.gz	VFAOVDHLBDTLHR-UHFFFAOYSA-N	1	0	371.441	1.829	20	30		FDEDRO
C[NH+](C)CCn1ncc(C(=O)N2CC[C@@](O)(CC#N)C2)c1-c1ccccc1	ZINC000592850363	552035440	/nfs/dbraw/zinc/03/54/40/552035440.db2.gz	SYIQMIOSRAKTQQ-FQEVSTJZSA-N	1	0	367.453	1.602	20	30		FDEDRO
C=CCC[C@H](O)C[NH+]1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1	ZINC000593045170	552055453	/nfs/dbraw/zinc/05/54/53/552055453.db2.gz	SZUQPTGITUZSFA-WBVHZDCISA-N	1	0	366.502	1.968	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)[C@@H](C)CCO	ZINC000593109694	552063528	/nfs/dbraw/zinc/06/35/28/552063528.db2.gz	LRZKLYPIEYOYEB-ZDUSSCGKSA-N	1	0	350.463	1.654	20	30		FDEDRO
COc1nccc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1	ZINC000593183549	552070640	/nfs/dbraw/zinc/07/06/40/552070640.db2.gz	BAKCFASTVXGOPU-UHFFFAOYSA-N	1	0	366.425	2.143	20	30		FDEDRO
C[NH+]1CCN(CCCOc2ccc(NC(=O)CSCC#N)cc2)CC1	ZINC000593295621	552085278	/nfs/dbraw/zinc/08/52/78/552085278.db2.gz	SBDVNPUURRSLSZ-UHFFFAOYSA-N	1	0	362.499	1.898	20	30		FDEDRO
Cn1cc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)ccc1=O	ZINC000593352913	552094642	/nfs/dbraw/zinc/09/46/42/552094642.db2.gz	FFEXCMCTXRMQCS-UHFFFAOYSA-N	1	0	350.422	1.651	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc4nncn4c3)CC2)c1	ZINC000593356622	552094978	/nfs/dbraw/zinc/09/49/78/552094978.db2.gz	YSRFSOYXHSWQFO-UHFFFAOYSA-N	1	0	360.421	1.995	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCC[C@]3(O)CCOC3)CC2)cc1	ZINC000593459570	552111818	/nfs/dbraw/zinc/11/18/18/552111818.db2.gz	WJDDIKAOZMQBCI-FQEVSTJZSA-N	1	0	372.469	1.317	20	30		FDEDRO
C[C@@H]1C(=O)NCCN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593512537	552120170	/nfs/dbraw/zinc/12/01/70/552120170.db2.gz	XIXCZRLQRWZQNJ-CQSZACIVSA-N	1	0	355.442	1.053	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@H](CO)CC3CC3)CC2)c1	ZINC000593514122	552120735	/nfs/dbraw/zinc/12/07/35/552120735.db2.gz	QCGCJMABQCDLNF-IBGZPJMESA-N	1	0	356.470	1.983	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)C1	ZINC000593541077	552127526	/nfs/dbraw/zinc/12/75/26/552127526.db2.gz	MKYQBEUVZVZKSU-CQSZACIVSA-N	1	0	363.439	1.204	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000593550674	552130423	/nfs/dbraw/zinc/13/04/23/552130423.db2.gz	GMVWGBNOZOYLIC-GXTWGEPZSA-N	1	0	365.455	1.448	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1C#N	ZINC000593736448	552187361	/nfs/dbraw/zinc/18/73/61/552187361.db2.gz	STSVKBQBFOVNSR-UXLLHSPISA-N	1	0	363.483	1.774	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1	ZINC000593766897	552194274	/nfs/dbraw/zinc/19/42/74/552194274.db2.gz	MIEDXRSYBJSYGP-YQQAZPJKSA-N	1	0	356.426	1.242	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1C#N	ZINC000593767741	552194571	/nfs/dbraw/zinc/19/45/71/552194571.db2.gz	SZCMUNVYQWTNEN-RLFYNMQTSA-N	1	0	370.453	1.550	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2nscc2Br)c1C#N	ZINC000593893509	552219291	/nfs/dbraw/zinc/21/92/91/552219291.db2.gz	JOZRWWPQEZSSDP-UHFFFAOYSA-N	1	0	369.248	1.905	20	30		FDEDRO
Cc1cc2c(cc1C#N)[nH]nc2NC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C	ZINC000593900122	552221169	/nfs/dbraw/zinc/22/11/69/552221169.db2.gz	IKXWCZDELWJNJP-QGZVFWFLSA-N	1	0	355.442	2.475	20	30		FDEDRO
CS[C@@H](C)CNC(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593930578	552228407	/nfs/dbraw/zinc/22/84/07/552228407.db2.gz	TZDLPBASLOLATK-AWEZNQCLSA-N	1	0	374.510	1.507	20	30		FDEDRO
CCCN(CC)C(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593931892	552228725	/nfs/dbraw/zinc/22/87/25/552228725.db2.gz	GHNFEFBWZXVXGC-UHFFFAOYSA-N	1	0	356.470	1.897	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1	ZINC000594291159	552279706	/nfs/dbraw/zinc/27/97/06/552279706.db2.gz	MCZVRWRZCMYUAO-INIZCTEOSA-N	1	0	370.497	1.653	20	30		FDEDRO
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000594318209	552286541	/nfs/dbraw/zinc/28/65/41/552286541.db2.gz	LYEMHUFNAXKJRM-GSJFWJNXSA-N	1	0	368.359	1.972	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1	ZINC000594425868	552307991	/nfs/dbraw/zinc/30/79/91/552307991.db2.gz	BHCTXLKZDGTTBO-OAHLLOKOSA-N	1	0	372.425	1.111	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)NC1CCN(C(=O)c2ccccc2F)CC1	ZINC000594429440	552308491	/nfs/dbraw/zinc/30/84/91/552308491.db2.gz	UGROSZGVRKBTKE-KRWDZBQOSA-N	1	0	360.433	1.958	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1	ZINC000594432638	552309112	/nfs/dbraw/zinc/30/91/12/552309112.db2.gz	FPFOMSWOUBNUQB-RDJZCZTQSA-N	1	0	358.442	1.194	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)NCc1ccc(Cn2ccccc2=O)cc1	ZINC000594432194	552309439	/nfs/dbraw/zinc/30/94/39/552309439.db2.gz	ZLROMYOEOHLVFF-GOSISDBHSA-N	1	0	352.438	1.924	20	30		FDEDRO
C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000594439038	552310326	/nfs/dbraw/zinc/31/03/26/552310326.db2.gz	NCYNSAUNIFKMPS-WDSOQIARSA-N	1	0	358.486	1.803	20	30		FDEDRO
CN1CCN([C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)c2cccs2)CC1	ZINC000594439396	552310437	/nfs/dbraw/zinc/31/04/37/552310437.db2.gz	QHGZWYGKEAORHH-JKSUJKDBSA-N	1	0	363.531	1.564	20	30		FDEDRO
C[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)N1CCN(c2ccccc2)CC1	ZINC000594438795	552310581	/nfs/dbraw/zinc/31/05/81/552310581.db2.gz	LSNXYPKFGIESFT-HKUYNNGSSA-N	1	0	357.502	1.725	20	30		FDEDRO
COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)[C@H]([NH3+])CCCCC#N	ZINC000594441659	552310958	/nfs/dbraw/zinc/31/09/58/552310958.db2.gz	UINQHJWFQKJMGY-MRXNPFEDSA-N	1	0	374.441	1.660	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1	ZINC000594450346	552312653	/nfs/dbraw/zinc/31/26/53/552312653.db2.gz	YYDIBJMBTQEXKP-MELADBBJSA-N	1	0	351.353	1.727	20	30		FDEDRO
Cn1nnc2c1CC[C@@H]([NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)C2	ZINC000594522969	552327213	/nfs/dbraw/zinc/32/72/13/552327213.db2.gz	UFHRPDRNUOMSRV-GOSISDBHSA-N	1	0	350.470	1.798	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc(C#N)c1	ZINC000594620699	552342638	/nfs/dbraw/zinc/34/26/38/552342638.db2.gz	KXOVHHNEVCDXAW-BMGDILEWSA-N	1	0	354.454	1.869	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1	ZINC000594801196	552389915	/nfs/dbraw/zinc/38/99/15/552389915.db2.gz	KQPPUJDCJJUVEJ-NSHDSACASA-N	1	0	352.416	1.618	20	30		FDEDRO
C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1cccc(CC#N)c1	ZINC000594803030	552390862	/nfs/dbraw/zinc/39/08/62/552390862.db2.gz	ITMYVNGWUMEUOW-HNNXBMFYSA-N	1	0	352.504	1.303	20	30		FDEDRO
C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc(C#N)c(F)c1	ZINC000595110222	552453946	/nfs/dbraw/zinc/45/39/46/552453946.db2.gz	YXUPXTVAFVSBNU-ZDUSSCGKSA-N	1	0	363.437	1.024	20	30		FDEDRO
C[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)[C@@H]1CCC[NH3+]	ZINC000595117952	552456858	/nfs/dbraw/zinc/45/68/58/552456858.db2.gz	IIQUWHZQOMFILW-TZMCWYRMSA-N	1	0	366.443	1.995	20	30		FDEDRO
C[C@H](CCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[NH+](C)C	ZINC000595125561	552459193	/nfs/dbraw/zinc/45/91/93/552459193.db2.gz	NMZKLLSZSRUDCN-SNVBAGLBSA-N	1	0	356.348	1.972	20	30		FDEDRO
C[C@@H](CCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)[NH+](C)C	ZINC000595125870	552459548	/nfs/dbraw/zinc/45/95/48/552459548.db2.gz	RJSYIDDDILOZLZ-JTQLQIEISA-N	1	0	354.357	1.555	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1	ZINC000595152438	552469246	/nfs/dbraw/zinc/46/92/46/552469246.db2.gz	TXSJOSQQHISCCT-UHFFFAOYSA-N	1	0	355.548	1.991	20	30		FDEDRO
CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N1CC[C@](C)(C#N)C1	ZINC000595153773	552469548	/nfs/dbraw/zinc/46/95/48/552469548.db2.gz	OZSRVSJXNHBKFC-HXUWFJFHSA-N	1	0	356.470	1.859	20	30		FDEDRO
CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[C@@](C)(C#N)C1	ZINC000595158845	552471707	/nfs/dbraw/zinc/47/17/07/552471707.db2.gz	LMCPURRMECLIQF-RXVVDRJESA-N	1	0	368.481	1.729	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)C1	ZINC000595193629	552485632	/nfs/dbraw/zinc/48/56/32/552485632.db2.gz	ASKBULMDENYOPK-OAHLLOKOSA-N	1	0	358.442	1.884	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1	ZINC000595194938	552486412	/nfs/dbraw/zinc/48/64/12/552486412.db2.gz	WTNOMNURSIQRQY-MRXNPFEDSA-N	1	0	358.442	1.908	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000595196128	552486790	/nfs/dbraw/zinc/48/67/90/552486790.db2.gz	HNPZAFKZTMKNMT-MRXNPFEDSA-N	1	0	356.426	1.175	20	30		FDEDRO
C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@@](C)(C#N)C2)cc1F	ZINC000595212211	552492073	/nfs/dbraw/zinc/49/20/73/552492073.db2.gz	IHCRGBHCKPZCFJ-SFHVURJKSA-N	1	0	362.405	1.467	20	30		FDEDRO
Cc1cc(=NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)[nH]n1CCC#N	ZINC000595231426	552499541	/nfs/dbraw/zinc/49/95/41/552499541.db2.gz	UCFCNFBWOICUMW-IAGOWNOFSA-N	1	0	352.442	2.372	20	30		FDEDRO
N#CCCCOc1cccnc1NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1	ZINC000595233643	552499883	/nfs/dbraw/zinc/49/98/83/552499883.db2.gz	SQRSCZFWAGAROW-UHFFFAOYSA-N	1	0	357.374	1.040	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1	ZINC000595238339	552502019	/nfs/dbraw/zinc/50/20/19/552502019.db2.gz	SSAQFYOVPBQAIR-INIZCTEOSA-N	1	0	363.483	1.712	20	30		FDEDRO
C[C@]1(C#N)CCCN(C(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)C1	ZINC000595239690	552502380	/nfs/dbraw/zinc/50/23/80/552502380.db2.gz	XIFRBKFEFISZCH-QFBILLFUSA-N	1	0	356.426	1.438	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CCCCC1	ZINC000595249168	552505330	/nfs/dbraw/zinc/50/53/30/552505330.db2.gz	KFEGRANPMBVCTB-CQSZACIVSA-N	1	0	355.442	1.426	20	30		FDEDRO
N#Cc1sccc1N1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1	ZINC000595257837	552506680	/nfs/dbraw/zinc/50/66/80/552506680.db2.gz	YOVWBTLJHJSWCZ-CYBMUJFWSA-N	1	0	371.470	1.098	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)NCC3([NH3+])CCCC3)C2=O)cc1	ZINC000595274165	552509917	/nfs/dbraw/zinc/50/99/17/552509917.db2.gz	RIRQOTLZIBXAOO-INIZCTEOSA-N	1	0	355.442	1.230	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)C(=O)NCC3([NH3+])CCCC3)CC2)cc1	ZINC000595278375	552510686	/nfs/dbraw/zinc/51/06/86/552510686.db2.gz	NSTZCOXXQKSEFX-UHFFFAOYSA-N	1	0	370.453	1.316	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CCCCC1	ZINC000595284557	552511930	/nfs/dbraw/zinc/51/19/30/552511930.db2.gz	UILQVAVMADHLEN-UHFFFAOYSA-N	1	0	372.513	1.846	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1	ZINC000595347797	552533293	/nfs/dbraw/zinc/53/32/93/552533293.db2.gz	SRQQAHPSGRCCJY-OAHLLOKOSA-N	1	0	356.536	1.909	20	30		FDEDRO
C[NH+](C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)c1ccccc1C#N	ZINC000595404369	552551530	/nfs/dbraw/zinc/55/15/30/552551530.db2.gz	XAGVRQHDIVONIW-INIZCTEOSA-N	1	0	363.483	1.822	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)CN1CCC([NH2+]Cc2ccccc2)CC1	ZINC000595510549	552575673	/nfs/dbraw/zinc/57/56/73/552575673.db2.gz	LXNFFKHVECZOQX-UHFFFAOYSA-N	1	0	353.470	1.897	20	30		FDEDRO
N#Cc1sccc1N1CCN(C(=O)NCC[N@@H+]2CCCOCC2)CC1	ZINC000595638986	552596168	/nfs/dbraw/zinc/59/61/68/552596168.db2.gz	QNJLFAWRTODRLP-UHFFFAOYSA-N	1	0	363.487	1.174	20	30		FDEDRO
COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000595662384	552599123	/nfs/dbraw/zinc/59/91/23/552599123.db2.gz	LZHCJERZYJXHSN-SWLSCSKDSA-N	1	0	363.439	1.357	20	30		FDEDRO
N#CCCN(C(=O)C[N@H+](CCN1CCOCC1)CC1CC1)c1ccccc1	ZINC000595808169	552618475	/nfs/dbraw/zinc/61/84/75/552618475.db2.gz	LXXQDVDVJRECEK-UHFFFAOYSA-N	1	0	370.497	1.977	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H](N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1=O	ZINC000595862680	552625208	/nfs/dbraw/zinc/62/52/08/552625208.db2.gz	FVVLUDQRUFJZFA-CVEARBPZSA-N	1	0	360.483	1.256	20	30		FDEDRO
N#CCCN(C(=O)CN1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccccc1	ZINC000595865163	552625456	/nfs/dbraw/zinc/62/54/56/552625456.db2.gz	GCJGXPDQKMPOEQ-IBGZPJMESA-N	1	0	356.470	1.464	20	30		FDEDRO
N#Cc1cccc(-c2nnc(CN3CCC([N@@H+]4CC[C@@H](O)C4)CC3)o2)c1	ZINC000595864852	552625621	/nfs/dbraw/zinc/62/56/21/552625621.db2.gz	DTNNBOXJNSLDTI-QGZVFWFLSA-N	1	0	353.426	1.639	20	30		FDEDRO
N#Cc1cnccc1CN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1	ZINC000595909987	552632025	/nfs/dbraw/zinc/63/20/25/552632025.db2.gz	FVVKABVAUVGLLY-INIZCTEOSA-N	1	0	351.458	1.466	20	30		FDEDRO
N#CC1(CC(=O)N2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)CCCCC1	ZINC000595937105	552635653	/nfs/dbraw/zinc/63/56/53/552635653.db2.gz	QHXIURIYZDJFQK-IAGOWNOFSA-N	1	0	373.501	1.597	20	30		FDEDRO
C[C@]1(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CC[NH2+]C1	ZINC000595971497	552640159	/nfs/dbraw/zinc/64/01/59/552640159.db2.gz	QJAKAKXCIBDYJC-FQEVSTJZSA-N	1	0	364.453	1.597	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)cc1	ZINC000596066958	552651934	/nfs/dbraw/zinc/65/19/34/552651934.db2.gz	WVIOVEVFDAJOGX-MISYRCLQSA-N	1	0	371.481	1.531	20	30		FDEDRO
C=CC[N@@H+](CCC(=O)N1CCOCC1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000596211036	552665124	/nfs/dbraw/zinc/66/51/24/552665124.db2.gz	LYTBEOMYDZIMLZ-MRXNPFEDSA-N	1	0	370.457	1.460	20	30		FDEDRO
COC(=O)c1nccc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1	ZINC000596296415	552671862	/nfs/dbraw/zinc/67/18/62/552671862.db2.gz	VQPJNTCQVGQRRN-UHFFFAOYSA-N	1	0	351.410	1.633	20	30		FDEDRO
C[C@H](CCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[NH+](C)C	ZINC000596558209	552688884	/nfs/dbraw/zinc/68/88/84/552688884.db2.gz	YCJNOLNGRCMIDV-PBHICJAKSA-N	1	0	357.458	1.693	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1	ZINC000596571023	552690106	/nfs/dbraw/zinc/69/01/06/552690106.db2.gz	XIYVMBITCZLKGD-MRXNPFEDSA-N	1	0	370.453	1.744	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CCc2ccccc2N2CCOCC2)CC1	ZINC000597166445	552756513	/nfs/dbraw/zinc/75/65/13/552756513.db2.gz	QALPABGISTZHMH-UHFFFAOYSA-N	1	0	356.470	1.560	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1	ZINC000597218590	552762201	/nfs/dbraw/zinc/76/22/01/552762201.db2.gz	XYOIOQUYZOKAEW-BZUAXINKSA-N	1	0	355.548	1.895	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1	ZINC000597303062	552772273	/nfs/dbraw/zinc/77/22/73/552772273.db2.gz	DIPPXZZFSUEZJZ-SJORKVTESA-N	1	0	361.511	1.974	20	30		FDEDRO
C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)Cc1ccc(C#N)cc1	ZINC000597389495	552783115	/nfs/dbraw/zinc/78/31/15/552783115.db2.gz	PNQVMVUXXMJMOC-INIZCTEOSA-N	1	0	356.470	1.753	20	30		FDEDRO
C[NH+](C)CCOC1CCN(C(=O)C(=O)NCC2(C#N)CCCCC2)CC1	ZINC000597401648	552784757	/nfs/dbraw/zinc/78/47/57/552784757.db2.gz	XYOGECZSKTXNPC-UHFFFAOYSA-N	1	0	364.490	1.146	20	30		FDEDRO
CC(C)(CC#N)CNC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1	ZINC000597431946	552788329	/nfs/dbraw/zinc/78/83/29/552788329.db2.gz	ATPXUBRJXQWQCR-HNNXBMFYSA-N	1	0	373.505	1.648	20	30		FDEDRO
C=CCCSCCNC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1	ZINC000597972676	552852436	/nfs/dbraw/zinc/85/24/36/552852436.db2.gz	OTLSJSUNVYAECA-HOTGVXAUSA-N	1	0	353.532	1.745	20	30		FDEDRO
CCN(C(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C)[C@H](C)C#N	ZINC000598358113	552888454	/nfs/dbraw/zinc/88/84/54/552888454.db2.gz	CPBMCZLOXOHYKL-CYBMUJFWSA-N	1	0	352.442	1.938	20	30		FDEDRO
CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC000598452499	552897307	/nfs/dbraw/zinc/89/73/07/552897307.db2.gz	KKENWBCEILHNQP-QGZVFWFLSA-N	1	0	357.454	1.773	20	30		FDEDRO
CCN1CCN(C(=O)CC2CC[NH+](C[C@H](O)CC(C)(C)C#N)CC2)CC1	ZINC000598588182	552911901	/nfs/dbraw/zinc/91/19/01/552911901.db2.gz	IQWJOOYBPMVMGG-GOSISDBHSA-N	1	0	364.534	1.553	20	30		FDEDRO
CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)C[C@@H](O)CC(C)(C)C#N)CC1	ZINC000598617460	552916228	/nfs/dbraw/zinc/91/62/28/552916228.db2.gz	RPTISHCDVIZDHE-ZBFHGGJFSA-N	1	0	359.536	1.669	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[NH2+]CCC(=O)N1CCN(c2ccccc2)CC1	ZINC000598718725	552928080	/nfs/dbraw/zinc/92/80/80/552928080.db2.gz	CVDWTCPAFKAJLG-SFHVURJKSA-N	1	0	358.486	1.616	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1	ZINC000598728048	552928538	/nfs/dbraw/zinc/92/85/38/552928538.db2.gz	NBGRKEICMHANII-GJZGRUSLSA-N	1	0	351.472	1.340	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cn2c(n1)COCC2	ZINC000599087889	552966112	/nfs/dbraw/zinc/96/61/12/552966112.db2.gz	NIBWDMLLDORTAC-UHFFFAOYSA-N	1	0	353.426	1.489	20	30		FDEDRO
CCN(CC)C(=O)C1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1	ZINC000599274883	553012104	/nfs/dbraw/zinc/01/21/04/553012104.db2.gz	GCROOSUEHUFABF-QGZVFWFLSA-N	1	0	351.491	1.638	20	30		FDEDRO
C[N@@H+](Cc1ccc([S@](C)=O)cc1)C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599307053	553021862	/nfs/dbraw/zinc/02/18/62/553021862.db2.gz	LMFBOYZTBBLENE-FYSMJZIKSA-N	1	0	350.484	1.927	20	30		FDEDRO
C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1ccc(-n2cncn2)cc1	ZINC000599344508	553032705	/nfs/dbraw/zinc/03/27/05/553032705.db2.gz	DSFRXLGCOQSCTO-MAUKXSAKSA-N	1	0	355.442	1.989	20	30		FDEDRO
CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1	ZINC000599372365	553039175	/nfs/dbraw/zinc/03/91/75/553039175.db2.gz	ZYALURHMTIRXGQ-ARFHVFGLSA-N	1	0	354.447	1.100	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)C(=O)Nc1ccccc12	ZINC000599380135	553041048	/nfs/dbraw/zinc/04/10/48/553041048.db2.gz	BUKDPXZRRJZVFQ-KKSFZXQISA-N	1	0	363.417	1.894	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)CC1	ZINC000599552655	553085366	/nfs/dbraw/zinc/08/53/66/553085366.db2.gz	HRQZMAZKUFKDBC-IXDOHACOSA-N	1	0	350.532	1.649	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@]2(CO)CCCC(C)(C)C2)CC1	ZINC000599597900	553099186	/nfs/dbraw/zinc/09/91/86/553099186.db2.gz	ZRILUPKMXMORRP-PXNSSMCTSA-N	1	0	364.534	1.600	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H]([NH2+][C@@H]3CCO[C@H]3c3ccc(=O)[nH]c3)C2=O)cc1	ZINC000599627978	553107442	/nfs/dbraw/zinc/10/74/42/553107442.db2.gz	ABOMXYARLWUKRA-LMMKCTJWSA-N	1	0	364.405	1.884	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)C1=O	ZINC000599629437	553108036	/nfs/dbraw/zinc/10/80/36/553108036.db2.gz	GAVWUFUOTMSMKS-FMKPAKJESA-N	1	0	370.434	1.945	20	30		FDEDRO
CNS(=O)(=O)C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C#N)C1	ZINC000599690853	553122663	/nfs/dbraw/zinc/12/26/63/553122663.db2.gz	ACDRUQRFZOAHRX-CQSZACIVSA-N	1	0	364.471	1.148	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1C#N	ZINC000599765369	553141454	/nfs/dbraw/zinc/14/14/54/553141454.db2.gz	ILTPQSGNHPJLCG-INIZCTEOSA-N	1	0	373.457	1.807	20	30		FDEDRO
COc1cc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c(F)cc1C#N	ZINC000599815708	553154348	/nfs/dbraw/zinc/15/43/48/553154348.db2.gz	BEAOOKJVHUFURO-CYBMUJFWSA-N	1	0	362.405	1.892	20	30		FDEDRO
N#CCCSc1ccccc1NC(=O)C(=O)NC1(C[NH3+])CCOCC1	ZINC000599898430	553170593	/nfs/dbraw/zinc/17/05/93/553170593.db2.gz	VPAANSAYZZDCGP-UHFFFAOYSA-N	1	0	362.455	1.255	20	30		FDEDRO
C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCc2c(CC#N)cccc2C1	ZINC000599903978	553172037	/nfs/dbraw/zinc/17/20/37/553172037.db2.gz	VTKGWYJFHNFNRY-UHFFFAOYSA-N	1	0	362.433	1.995	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1	ZINC000599904242	553172051	/nfs/dbraw/zinc/17/20/51/553172051.db2.gz	ZDUXXQASKHRNJZ-GOSISDBHSA-N	1	0	370.453	1.308	20	30		FDEDRO
C[C@@H]1CC[C@@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[NH2+]1	ZINC000599919921	553174406	/nfs/dbraw/zinc/17/44/06/553174406.db2.gz	XKBVXRKRNKKYEQ-UNEWFSDZSA-N	1	0	355.442	1.493	20	30		FDEDRO
C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000599939481	553179310	/nfs/dbraw/zinc/17/93/10/553179310.db2.gz	YTGRUEJQEJANTG-QWHCGFSZSA-N	1	0	370.413	1.388	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](C(=O)N3CC[C@@H]([N@@H+]4CC[C@H](O)C4)C3)C2)c(F)c1	ZINC000599940106	553179855	/nfs/dbraw/zinc/17/98/55/553179855.db2.gz	LFFQZXUPWFWLTG-BBWFWOEESA-N	1	0	372.444	1.191	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CCCCC1	ZINC000599957413	553185537	/nfs/dbraw/zinc/18/55/37/553185537.db2.gz	SVFZNXBBXXHQGV-QWHCGFSZSA-N	1	0	374.407	1.562	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CCCCC1	ZINC000599957407	553185560	/nfs/dbraw/zinc/18/55/60/553185560.db2.gz	SVFZNXBBXXHQGV-CHWSQXEVSA-N	1	0	374.407	1.562	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2	ZINC000599958518	553185755	/nfs/dbraw/zinc/18/57/55/553185755.db2.gz	KGVBKWWCPUIPJK-KRWDZBQOSA-N	1	0	354.454	1.696	20	30		FDEDRO
N#Cc1ccc(C[C@H](C#N)C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)cc1	ZINC000600009018	553198859	/nfs/dbraw/zinc/19/88/59/553198859.db2.gz	VDJZMYKRQQMKOZ-LJQANCHMSA-N	1	0	366.465	1.954	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N2CCC([N@@H+]3CCCOCC3)CC2)cc1	ZINC000600008423	553198888	/nfs/dbraw/zinc/19/88/88/553198888.db2.gz	ORKPZRCQMGDIJU-UHFFFAOYSA-N	1	0	370.453	1.001	20	30		FDEDRO
CC(C)NC(=O)CN(C)CC(=O)NC1(c2ccc(C#N)cc2)CCOCC1	ZINC000600478128	553274236	/nfs/dbraw/zinc/27/42/36/553274236.db2.gz	LJIKROKIPGCOSM-UHFFFAOYSA-N	1	0	372.469	1.137	20	30		FDEDRO
N#Cc1ccccc1OCc1ccc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)o1	ZINC000600529960	553281292	/nfs/dbraw/zinc/28/12/92/553281292.db2.gz	FMCJKDZHWSWNMZ-OAHLLOKOSA-N	1	0	355.394	1.527	20	30		FDEDRO
CCc1cc(N2CCC[C@@H]([NH2+]C[C@H](O)CC3(C#N)CCOCC3)C2)ncn1	ZINC000600727684	553308127	/nfs/dbraw/zinc/30/81/27/553308127.db2.gz	QDEWROQTTWIQRE-QZTJIDSGSA-N	1	0	373.501	1.669	20	30		FDEDRO
COc1ccccc1N1CC[C@@H]([NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000600732429	553308826	/nfs/dbraw/zinc/30/88/26/553308826.db2.gz	ZJIRWYKMEYQUCA-IAGOWNOFSA-N	1	0	359.470	1.935	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCOCC1	ZINC000600733276	553308848	/nfs/dbraw/zinc/30/88/48/553308848.db2.gz	ILRIXWPIKZHYMU-ZDUSSCGKSA-N	1	0	359.386	1.632	20	30		FDEDRO
COC(=O)c1ccsc1N1CC[C@@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)C1=O	ZINC000600731652	553308882	/nfs/dbraw/zinc/30/88/82/553308882.db2.gz	XMXJAAJOZCRASG-WCQYABFASA-N	1	0	363.439	1.284	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]Cc1ccc2c(c1)C(=O)NCC2	ZINC000600735169	553308966	/nfs/dbraw/zinc/30/89/66/553308966.db2.gz	MTWXVTOANCPIBM-QGZVFWFLSA-N	1	0	351.406	1.374	20	30		FDEDRO
Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]C[C@H](O)CC1(C#N)CC1	ZINC000600740925	553309776	/nfs/dbraw/zinc/30/97/76/553309776.db2.gz	LCSJKUJACXHQEL-CQSZACIVSA-N	1	0	371.890	1.571	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@H](c2ccncc2)C2(CO)CCC2)CCOCC1	ZINC000600742243	553309907	/nfs/dbraw/zinc/30/99/07/553309907.db2.gz	CGBBBNCCGQPMCZ-ZWKOTPCHSA-N	1	0	359.470	1.946	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](O)COc1ccc(F)cc1	ZINC000600745136	553310359	/nfs/dbraw/zinc/31/03/59/553310359.db2.gz	QXPZCMDLFDWGKY-SJORKVTESA-N	1	0	360.385	1.467	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)CCOCC1	ZINC000600745003	553310402	/nfs/dbraw/zinc/31/04/02/553310402.db2.gz	QKJJRMOBOPKZKF-KBPBESRZSA-N	1	0	370.396	1.365	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]([C@@H]1CCCO1)C1(CO)CCC1	ZINC000600749200	553310605	/nfs/dbraw/zinc/31/06/05/553310605.db2.gz	PXULATSFABTPRU-NEWSRXKRSA-N	1	0	360.454	1.598	20	30		FDEDRO
COc1cc(C[NH2+]CCn2cnc(C#N)n2)c(F)cc1Br	ZINC000601121337	553350219	/nfs/dbraw/zinc/35/02/19/553350219.db2.gz	RSNSYPDSDLMUIB-UHFFFAOYSA-N	1	0	354.183	1.850	20	30		FDEDRO
CCc1nnc(NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)c(C#N)c1CC	ZINC000601175769	553356226	/nfs/dbraw/zinc/35/62/26/553356226.db2.gz	BSZAIDLCGLPZHY-KRWDZBQOSA-N	1	0	356.474	1.580	20	30		FDEDRO
CCc1nc(C#N)cc(N[C@@H](CC(C)C)C(=O)N2CC[C@@H]([NH+](C)C)C2)n1	ZINC000601192555	553358276	/nfs/dbraw/zinc/35/82/76/553358276.db2.gz	WVNPSVAYMJSBTC-CVEARBPZSA-N	1	0	358.490	1.900	20	30		FDEDRO
C[C@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)c1ccc(C#N)cc1	ZINC000601303817	553372181	/nfs/dbraw/zinc/37/21/81/553372181.db2.gz	JCSHNRNNCUXURQ-HNNXBMFYSA-N	1	0	350.488	1.176	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2c(C)cc(F)cc2C#N)CC1	ZINC000601399187	553394485	/nfs/dbraw/zinc/39/44/85/553394485.db2.gz	NXFQZXDNCOQLDB-CQSZACIVSA-N	1	0	368.478	1.310	20	30		FDEDRO
Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)[C@@H]1CCC[C@@H]1C#N	ZINC000601507562	553423740	/nfs/dbraw/zinc/42/37/40/553423740.db2.gz	DGTZBUSWTVPDJI-HUUCEWRRSA-N	1	0	353.492	1.374	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1	ZINC000601523596	553428069	/nfs/dbraw/zinc/42/80/69/553428069.db2.gz	PYAICZGSDRSFEP-FUHWJXTLSA-N	1	0	364.515	1.885	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1	ZINC000601523823	553428587	/nfs/dbraw/zinc/42/85/87/553428587.db2.gz	YQVVYHNEEASSRP-FUHWJXTLSA-N	1	0	364.515	1.885	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H](n2cncn2)C(F)(F)F)cc1	ZINC000601969014	553497156	/nfs/dbraw/zinc/49/71/56/553497156.db2.gz	QWXBINXGFAZZGR-UKRRQHHQSA-N	1	0	369.347	1.477	20	30		FDEDRO
C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)N3CCN(CCC#N)CC3)ccc21	ZINC000602079629	553515317	/nfs/dbraw/zinc/51/53/17/553515317.db2.gz	FFATUQMSVIRIBT-GOSISDBHSA-N	1	0	369.469	1.232	20	30		FDEDRO
COCCN(CCC#N)C(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1	ZINC000602090951	553517740	/nfs/dbraw/zinc/51/77/40/553517740.db2.gz	FTJCNIMPJNERTL-UHFFFAOYSA-N	1	0	359.430	1.306	20	30		FDEDRO
C[NH+](C)[C@H]1C[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1(C)C	ZINC000602173497	553533830	/nfs/dbraw/zinc/53/38/30/553533830.db2.gz	QPTPWHQNJMHPTD-HOTGVXAUSA-N	1	0	363.483	1.318	20	30		FDEDRO
COc1cccc(C[C@H]([NH3+])C(=O)N2CCN(c3ccsc3C#N)CC2)c1	ZINC000602518504	553597133	/nfs/dbraw/zinc/59/71/33/553597133.db2.gz	OZHUMSQYIDZTKW-INIZCTEOSA-N	1	0	370.478	1.847	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O	ZINC000602544118	553603296	/nfs/dbraw/zinc/60/32/96/553603296.db2.gz	HSNNVYIUCONOEO-QWHCGFSZSA-N	1	0	352.797	1.722	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@](O)(C[NH+](C)C)C1	ZINC000602891141	553662167	/nfs/dbraw/zinc/66/21/67/553662167.db2.gz	LAAMJHREUVDKNC-UGSOOPFHSA-N	1	0	364.877	1.927	20	30		FDEDRO
C[C@]1(CO)C[C@@H](O)CN1CC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000602908358	553666421	/nfs/dbraw/zinc/66/64/21/553666421.db2.gz	OKOZOUFORRJZJA-KZULUSFZSA-N	1	0	363.483	1.645	20	30		FDEDRO
C[C@]12C[N@H+](Cc3cc(C#N)ccc3Br)C[C@@]1(C)C(=O)NC2=O	ZINC000602934382	553673275	/nfs/dbraw/zinc/67/32/75/553673275.db2.gz	GZRUNANHJQEXMK-IYBDPMFKSA-N	1	0	362.227	1.805	20	30		FDEDRO
N#Cc1cccc(OCCC[NH+]2CCN(CCc3cnccn3)CC2)c1	ZINC000602998903	553689059	/nfs/dbraw/zinc/68/90/59/553689059.db2.gz	QTHGIXHOQIPYEP-UHFFFAOYSA-N	1	0	351.454	1.977	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)CN2CCN(Cc3ccc(O)cc3)CC2)cc1	ZINC000603007115	553692595	/nfs/dbraw/zinc/69/25/95/553692595.db2.gz	YOBGZUZANQFGBE-FQEVSTJZSA-N	1	0	367.449	1.821	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C[C@H](C)N1CC#N	ZINC000603102245	553709021	/nfs/dbraw/zinc/70/90/21/553709021.db2.gz	ZAEHBHFUMONZLG-SCTDSRPQSA-N	1	0	355.486	1.738	20	30		FDEDRO
C[NH+](C)Cc1ccnc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1	ZINC000603144525	553715593	/nfs/dbraw/zinc/71/55/93/553715593.db2.gz	GFBWAHJUHUGEIZ-UHFFFAOYSA-N	1	0	365.441	1.764	20	30		FDEDRO
COCC[NH2+]Cc1ccn(Cc2cn(Cc3ccc(CC#N)cc3)nn2)n1	ZINC000603224097	553736119	/nfs/dbraw/zinc/73/61/19/553736119.db2.gz	ZLRXNFLFYYPCPJ-UHFFFAOYSA-N	1	0	365.441	1.373	20	30		FDEDRO
N#Cc1cc(Br)ccc1Cn1cc(CN2CC[NH2+]CC2)nn1	ZINC000603243819	553741100	/nfs/dbraw/zinc/74/11/00/553741100.db2.gz	OYYWBODEBWDVMD-UHFFFAOYSA-N	1	0	361.247	1.366	20	30		FDEDRO
C[NH+](C)[C@@H](CNc1ccc(C#N)cc1CS(N)(=O)=O)Cc1ccccc1	ZINC000603276461	553751301	/nfs/dbraw/zinc/75/13/01/553751301.db2.gz	NALRMBUJTLLZSE-GOSISDBHSA-N	1	0	372.494	1.932	20	30		FDEDRO
N#Cc1cc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ncc1Br	ZINC000603290762	553756190	/nfs/dbraw/zinc/75/61/90/553756190.db2.gz	WWMSRICDSJLBIM-KGLIPLIRSA-N	1	0	351.248	1.751	20	30		FDEDRO
C=CCC[C@@H](NS(=O)(=O)c1cccc2c1CCN(C)C2)C(=O)OCC	ZINC000603350353	553769205	/nfs/dbraw/zinc/76/92/05/553769205.db2.gz	SOKLBERERNIUNB-MRXNPFEDSA-N	1	0	366.483	1.851	20	30		FDEDRO
COCc1cc(C#N)ccc1NCC1(N2CCOCC2)CC[NH+](C)CC1	ZINC000603401792	553780395	/nfs/dbraw/zinc/78/03/95/553780395.db2.gz	PDIVWUGPUMYTEF-UHFFFAOYSA-N	1	0	358.486	1.913	20	30		FDEDRO
N#Cc1cc2cccnc2nc1N[C@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000603422942	553784806	/nfs/dbraw/zinc/78/48/06/553784806.db2.gz	KGIIUNXLZPDWNA-SFHVURJKSA-N	1	0	366.469	1.710	20	30		FDEDRO
C[C@@H]1CN(C[C@H](O)C[N@@H+]2CCCN(c3ccccc3C#N)CC2)C[C@H](C)O1	ZINC000604416345	553875757	/nfs/dbraw/zinc/87/57/57/553875757.db2.gz	UQGLQAPIZVZIRF-WSTZPKSXSA-N	1	0	372.513	1.540	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)cc1	ZINC000606053905	554039005	/nfs/dbraw/zinc/03/90/05/554039005.db2.gz	MPWIIJWFFPDEQC-ZDUSSCGKSA-N	1	0	361.446	1.389	20	30		FDEDRO
CC[NH+](CC)C[C@@H](C)NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000609000370	554332991	/nfs/dbraw/zinc/33/29/91/554332991.db2.gz	LPPICLBCTZAZDR-OAHLLOKOSA-N	1	0	358.490	1.952	20	30		FDEDRO
Cc1cccc([C@H](CC(=O)N(CCC#N)CCC[NH+](C)C)NC(N)=O)c1	ZINC000609167186	554345618	/nfs/dbraw/zinc/34/56/18/554345618.db2.gz	ORKDQEYEBZZGQX-KRWDZBQOSA-N	1	0	359.474	1.789	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC000609207242	554349516	/nfs/dbraw/zinc/34/95/16/554349516.db2.gz	XBJQJTCPWTVLNT-OAHLLOKOSA-N	1	0	373.457	1.666	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1	ZINC000609383655	554373659	/nfs/dbraw/zinc/37/36/59/554373659.db2.gz	YTTNQNJLKLIFBX-QGZVFWFLSA-N	1	0	366.469	1.751	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1	ZINC000609458836	554378965	/nfs/dbraw/zinc/37/89/65/554378965.db2.gz	ZBWGPMGCCRVLSK-UXHICEINSA-N	1	0	369.513	1.986	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1	ZINC000609458839	554379191	/nfs/dbraw/zinc/37/91/91/554379191.db2.gz	ZBWGPMGCCRVLSK-WOJBJXKFSA-N	1	0	369.513	1.986	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cc(C)nn2CCC#N)CC1=O	ZINC000609581667	554396940	/nfs/dbraw/zinc/39/69/40/554396940.db2.gz	TVQJBCWJDMYGFF-JKSUJKDBSA-N	1	0	372.473	1.377	20	30		FDEDRO
CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2ccc(C#N)cc2F)CC1	ZINC000610265699	554484803	/nfs/dbraw/zinc/48/48/03/554484803.db2.gz	QBLYTLAQOBIWCB-CQSZACIVSA-N	1	0	368.478	1.249	20	30		FDEDRO
N#CCN1CCC(NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC1	ZINC000610402781	554500712	/nfs/dbraw/zinc/50/07/12/554500712.db2.gz	PZZLWRUZYUIXCU-UHFFFAOYSA-N	1	0	363.506	1.261	20	30		FDEDRO
Cn1cc(C[C@H]2CC[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)cn1	ZINC000610476573	554515515	/nfs/dbraw/zinc/51/55/15/554515515.db2.gz	ALNHFUWTHMZUJV-IEBWSBKVSA-N	1	0	354.454	1.790	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1	ZINC000610582149	554534117	/nfs/dbraw/zinc/53/41/17/554534117.db2.gz	BNLCJCMFOFURPE-OALUTQOASA-N	1	0	357.454	1.959	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1	ZINC000610586206	554535462	/nfs/dbraw/zinc/53/54/62/554535462.db2.gz	GZIYBXOHDDEADE-MRXNPFEDSA-N	1	0	374.416	1.349	20	30		FDEDRO
N#CCCN1CC[NH+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC1	ZINC000611175709	554612547	/nfs/dbraw/zinc/61/25/47/554612547.db2.gz	KWTYESBCVVBCAK-UHFFFAOYSA-N	1	0	369.469	1.673	20	30		FDEDRO
C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000611388777	554630459	/nfs/dbraw/zinc/63/04/59/554630459.db2.gz	SNCNFUUYIJFYCY-CHWSQXEVSA-N	1	0	372.450	1.883	20	30		FDEDRO
CN(CCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)S(C)(=O)=O	ZINC000611438114	554633421	/nfs/dbraw/zinc/63/34/21/554633421.db2.gz	DWJGDTRWBMTHSC-UHFFFAOYSA-N	1	0	364.515	1.394	20	30		FDEDRO
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000611558907	554646610	/nfs/dbraw/zinc/64/66/10/554646610.db2.gz	ZVKOVPXZKDLMLP-BEFAXECRSA-N	1	0	365.474	1.618	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1	ZINC000611738923	554674143	/nfs/dbraw/zinc/67/41/43/554674143.db2.gz	CLSRCGKIBSQUTA-GOSISDBHSA-N	1	0	351.491	1.561	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1	ZINC000612040614	554724381	/nfs/dbraw/zinc/72/43/81/554724381.db2.gz	MFWWQPIOFDRIBL-SFFUCWETSA-N	1	0	365.518	1.851	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@@](C)(C#N)C3)cn2)CC1	ZINC000612099232	554733576	/nfs/dbraw/zinc/73/35/76/554733576.db2.gz	CBSXGFIFHADVIB-IBGZPJMESA-N	1	0	356.474	1.669	20	30		FDEDRO
CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CCC[C@](C)(C#N)C2)CC1	ZINC000612270521	554756311	/nfs/dbraw/zinc/75/63/11/554756311.db2.gz	HHTHOTXLQBXNRW-LJQANCHMSA-N	1	0	372.473	1.631	20	30		FDEDRO
N#Cc1cc(CN2C(=O)N[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2=O)ccn1	ZINC000613407868	554922225	/nfs/dbraw/zinc/92/22/25/554922225.db2.gz	YQNNHFRYNQJAOB-HXUWFJFHSA-N	1	0	361.405	1.650	20	30		FDEDRO
CN(C(=O)NCc1cccc(C#N)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000613856923	554980598	/nfs/dbraw/zinc/98/05/98/554980598.db2.gz	DQAVQIKDOZNNCK-IBGZPJMESA-N	1	0	355.486	1.868	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC2CC[NH+](CC)CC2)c1	ZINC000614602105	555078251	/nfs/dbraw/zinc/07/82/51/555078251.db2.gz	GFVGGCJWKLAYGW-UHFFFAOYSA-N	1	0	351.472	1.365	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1Cl	ZINC000614622438	555082167	/nfs/dbraw/zinc/08/21/67/555082167.db2.gz	PORVBKHVJSTEJA-INIZCTEOSA-N	1	0	362.861	1.348	20	30		FDEDRO
CC1(C)CN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1CCO	ZINC000614924070	555138545	/nfs/dbraw/zinc/13/85/45/555138545.db2.gz	ZLINKTWCGJXRFK-GOSISDBHSA-N	1	0	356.470	1.442	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCC1	ZINC000614995793	555147253	/nfs/dbraw/zinc/14/72/53/555147253.db2.gz	LTIFFLMYUNFATQ-UHFFFAOYSA-N	1	0	356.474	1.706	20	30		FDEDRO
N#C[C@@]1(F)CCN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000615535651	555208862	/nfs/dbraw/zinc/20/88/62/555208862.db2.gz	VEJQIUGQIHAOHN-IBGZPJMESA-N	1	0	359.449	1.451	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CC[C@@](F)(C#N)C2)c1	ZINC000615539433	555209704	/nfs/dbraw/zinc/20/97/04/555209704.db2.gz	YERWBGWEPCAONL-GOSISDBHSA-N	1	0	361.421	1.125	20	30		FDEDRO
C=C[C@H](O)C(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1	ZINC000615952211	555258546	/nfs/dbraw/zinc/25/85/46/555258546.db2.gz	FSQGJHDCSSTIPW-SFHVURJKSA-N	1	0	359.470	1.021	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1	ZINC000616081127	555268296	/nfs/dbraw/zinc/26/82/96/555268296.db2.gz	FVLBLODNEKNWTK-QGZVFWFLSA-N	1	0	350.488	1.893	20	30		FDEDRO
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(S(=O)(=O)CC2(C#N)CCC2)CC1	ZINC000616175630	555278578	/nfs/dbraw/zinc/27/85/78/555278578.db2.gz	VGKBGGLAARZOFE-IAGOWNOFSA-N	1	0	368.547	1.500	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cc1	ZINC000617020901	555375080	/nfs/dbraw/zinc/37/50/80/555375080.db2.gz	MDRABBUJEJHAAV-HNNXBMFYSA-N	1	0	365.499	1.754	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000618841530	555687749	/nfs/dbraw/zinc/68/77/49/555687749.db2.gz	XZMDWRIWRQQHTF-QFBILLFUSA-N	1	0	354.454	1.909	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H]3CCCC(=O)N3)CC2)cc1	ZINC000619050071	555716809	/nfs/dbraw/zinc/71/68/09/555716809.db2.gz	KAHUWRAONVZNIR-GOSISDBHSA-N	1	0	369.469	1.444	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3cccc(CC#N)c3)C2)CC1	ZINC000619482538	555784816	/nfs/dbraw/zinc/78/48/16/555784816.db2.gz	OVRVMICWBPXTFQ-KRWDZBQOSA-N	1	0	362.499	1.153	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1cccc(CC#N)c1	ZINC000619492640	555788056	/nfs/dbraw/zinc/78/80/56/555788056.db2.gz	ADBFKFQLTOKGRT-NJAFHUGGSA-N	1	0	363.483	1.625	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)S(=O)(=O)c1ccc(F)cc1	ZINC000619611307	555808780	/nfs/dbraw/zinc/80/87/80/555808780.db2.gz	IMTIWVBGGZQZFZ-CQSZACIVSA-N	1	0	369.462	1.682	20	30		FDEDRO
C[C@H](C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C)n1cnc(C#N)n1	ZINC000619613875	555809397	/nfs/dbraw/zinc/80/93/97/555809397.db2.gz	LLXBTKGXTTVPQM-JKSUJKDBSA-N	1	0	352.442	1.834	20	30		FDEDRO
C[C@H](C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)n1cnc(C#N)n1	ZINC000619617468	555810229	/nfs/dbraw/zinc/81/02/29/555810229.db2.gz	ZFMGOZWHTYDCNY-QFWMXSHPSA-N	1	0	370.379	1.632	20	30		FDEDRO
Cc1ccc(CNS(=O)(=O)N(C)C[C@@H](C)C#N)c(N2CCCC2)n1	ZINC000619713001	555824996	/nfs/dbraw/zinc/82/49/96/555824996.db2.gz	KCVHTMCSYLVBGL-ZDUSSCGKSA-N	1	0	351.476	1.416	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1Cl	ZINC000619826733	555841091	/nfs/dbraw/zinc/84/10/91/555841091.db2.gz	HYJROZHIONBBTL-IAGOWNOFSA-N	1	0	362.861	1.952	20	30		FDEDRO
C=CCOc1c(Cl)cc(C[NH2+]CC2CN(S(C)(=O)=O)C2)cc1OC	ZINC000623496622	556431888	/nfs/dbraw/zinc/43/18/88/556431888.db2.gz	DRRHHACAKYAFLW-UHFFFAOYSA-N	1	0	374.890	1.894	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCSC2(CCOCC2)C1	ZINC000625329226	556775879	/nfs/dbraw/zinc/77/58/79/556775879.db2.gz	BPPJRRYLDCRUQD-UHFFFAOYSA-N	1	0	370.474	1.884	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[NH2+][C@H](C1CC1)[C@]1(CO)CCCO1	ZINC000625449375	556810071	/nfs/dbraw/zinc/81/00/71/556810071.db2.gz	BTMFOUCDBATDSP-WIYYLYMNSA-N	1	0	368.433	1.196	20	30		FDEDRO
C[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)C[C@@H](O)Cc1ccccc1	ZINC000625447468	556810132	/nfs/dbraw/zinc/81/01/32/556810132.db2.gz	SEZRIGLUAFCKPV-SFHVURJKSA-N	1	0	362.429	1.821	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1	ZINC000625457807	556813096	/nfs/dbraw/zinc/81/30/96/556813096.db2.gz	QITXDBNCXDXNIE-RBUKOAKNSA-N	1	0	352.434	1.673	20	30		FDEDRO
O=C(NCC[N@H+]1CC[C@H](O)C1)Nc1cccc(C#Cc2ccccn2)c1	ZINC000626376685	557067034	/nfs/dbraw/zinc/06/70/34/557067034.db2.gz	ZVKINSXPHWVHPN-IBGZPJMESA-N	1	0	350.422	1.670	20	30		FDEDRO
C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccnn2C2CC[NH+](CC)CC2)C1	ZINC000627734545	557482725	/nfs/dbraw/zinc/48/27/25/557482725.db2.gz	WKNGKKMCSQSPCO-HNNXBMFYSA-N	1	0	359.474	1.903	20	30		FDEDRO
C=C(C)C[C@H]1NC(=O)N(CCN2CC[NH+](Cc3ccccc3)CC2)C1=O	ZINC000630964759	557964004	/nfs/dbraw/zinc/96/40/04/557964004.db2.gz	JSDMXNDZLMHMPP-GOSISDBHSA-N	1	0	356.470	1.691	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)c1	ZINC000631994078	558081159	/nfs/dbraw/zinc/08/11/59/558081159.db2.gz	FGKRPTHKDZHDGD-DOTOQJQBSA-N	1	0	363.483	1.365	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)cc1	ZINC000634754467	558521337	/nfs/dbraw/zinc/52/13/37/558521337.db2.gz	CDEGTDKWKMOQJD-OAHLLOKOSA-N	1	0	365.499	1.659	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1cnn2c1CCCC2)C(C)C	ZINC000635039769	558560978	/nfs/dbraw/zinc/56/09/78/558560978.db2.gz	QZFRRROFHZKGDO-SFHVURJKSA-N	1	0	373.501	1.973	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCC2CC[NH2+]CC2)cc1	ZINC000652644026	568048556	/nfs/dbraw/zinc/04/85/56/568048556.db2.gz	KGFIDNMLQSRAMJ-UHFFFAOYSA-N	1	0	358.442	1.047	20	30		FDEDRO
CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1CCC(=O)Nc1cccc(C#N)c1	ZINC000481734519	568099656	/nfs/dbraw/zinc/09/96/56/568099656.db2.gz	KXFONXURUMSRRS-DLBZAZTESA-N	1	0	359.426	1.929	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ncc(CC)s2)CC1	ZINC000286369868	675894914	/nfs/dbraw/zinc/89/49/14/675894914.db2.gz	CHYTVEAIXHGIGD-UHFFFAOYSA-N	1	0	350.488	1.478	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)s1	ZINC000822826140	606417386	/nfs/dbraw/zinc/41/73/86/606417386.db2.gz	UTULNRNREMUYHO-UHFFFAOYSA-N	1	0	366.454	1.953	20	30		FDEDRO
C[C@@](C#N)(NC(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)C1CC1	ZINC000824034781	608528659	/nfs/dbraw/zinc/52/86/59/608528659.db2.gz	PCZLTSUYWUBTQG-KRWDZBQOSA-N	1	0	351.414	1.254	20	30		FDEDRO
N#Cc1ccc(NC(=O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1	ZINC000826385282	608532675	/nfs/dbraw/zinc/53/26/75/608532675.db2.gz	FKSBXUINNBYJPD-UHFFFAOYSA-N	1	0	359.393	1.956	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@@H](C)CCN1C(=O)c2ccccc2C1=O	ZINC000274444336	674592020	/nfs/dbraw/zinc/59/20/20/674592020.db2.gz	QVPJACYZCBCMPI-ZDUSSCGKSA-N	1	0	350.440	1.252	20	30		FDEDRO
Cc1cc(S(=O)(=O)NC[C@H](C)CN2CC[NH+](C)CC2)ccc1C#N	ZINC000278006592	675077413	/nfs/dbraw/zinc/07/74/13/675077413.db2.gz	OBGNDQYHEMOODJ-AWEZNQCLSA-N	1	0	350.488	1.029	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(F)cc2C#N)CCCO1	ZINC000278059376	675086427	/nfs/dbraw/zinc/08/64/27/675086427.db2.gz	YQZDNMGDFMHINR-CYBMUJFWSA-N	1	0	355.435	1.477	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)CN2CCC[C@](F)(CO)C2)c(OC)c1	ZINC000286715331	675900319	/nfs/dbraw/zinc/90/03/19/675900319.db2.gz	CCICBNUURARGBN-QFBILLFUSA-N	1	0	353.434	1.960	20	30		FDEDRO
C[C@@H]1CCCN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C[C@@H]2CCCO2)C1	ZINC000073561312	671402240	/nfs/dbraw/zinc/40/22/40/671402240.db2.gz	YKMUJVJOXSTGEB-PMPSAXMXSA-N	1	0	357.520	1.278	20	30		FDEDRO
NC(C[NH+]1CCCCCC1)=NOCC(=O)N1CCc2sccc2C1	ZINC000106437807	671606957	/nfs/dbraw/zinc/60/69/57/671606957.db2.gz	QRFXNFIIFNRDKZ-UHFFFAOYSA-N	1	0	350.488	1.798	20	30		FDEDRO
Cc1ccc(/N=C2\NC(=O)C(CC(=O)NCC[NH+](C)C)S2)cc1F	ZINC000106898540	671608857	/nfs/dbraw/zinc/60/88/57/671608857.db2.gz	HMUWYYJTANQTMN-CYBMUJFWSA-N	1	0	352.435	1.421	20	30		FDEDRO
C#CCCOc1ccc(C[NH2+]C2CCN(CCS(C)(=O)=O)CC2)cc1	ZINC000113340582	671646240	/nfs/dbraw/zinc/64/62/40/671646240.db2.gz	ASYFETLCCKRGLZ-UHFFFAOYSA-N	1	0	364.511	1.687	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1	ZINC000118986561	671669139	/nfs/dbraw/zinc/66/91/39/671669139.db2.gz	KBMOBIIOZQXPTG-CYBMUJFWSA-N	1	0	352.460	1.471	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1cccs1	ZINC000121306581	671702670	/nfs/dbraw/zinc/70/26/70/671702670.db2.gz	JFPLWVORGOCCSG-KGLIPLIRSA-N	1	0	372.512	1.692	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@@H](OC)c1ccccc1Cl	ZINC000123619071	671728073	/nfs/dbraw/zinc/72/80/73/671728073.db2.gz	UCDUAMSAVNNNNY-MRXNPFEDSA-N	1	0	354.882	1.525	20	30		FDEDRO
[NH2+]=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCCCCC1	ZINC000126034269	671754767	/nfs/dbraw/zinc/75/47/67/671754767.db2.gz	VYNBONQLDDVHFP-UHFFFAOYSA-N	1	0	369.447	1.064	20	30		FDEDRO
CC[NH+]=C(NC[C@H](C)N1CCC[C@H](C)C1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158632096	671981717	/nfs/dbraw/zinc/98/17/17/671981717.db2.gz	YWPLUTVKIOXIFF-HOTGVXAUSA-N	1	0	372.579	1.581	20	30		FDEDRO
CNC(=O)C(C)(C)CNC(N[C@@H]1CCN(c2ncccc2Cl)C1)=[NH+]C	ZINC000158945473	671985506	/nfs/dbraw/zinc/98/55/06/671985506.db2.gz	XQNIPBJLUZTCDN-GFCCVEGCSA-N	1	0	366.897	1.251	20	30		FDEDRO
COC1(CNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)CCOCC1	ZINC000160620347	672003237	/nfs/dbraw/zinc/00/32/37/672003237.db2.gz	FQJPYAZAKVCLJC-UHFFFAOYSA-N	1	0	350.438	1.458	20	30		FDEDRO
C#CCOc1ccc([C@@H](C)[NH2+]CCNS(=O)(=O)Cc2ccon2)cc1	ZINC000162362163	672017684	/nfs/dbraw/zinc/01/76/84/672017684.db2.gz	ZUNOOHMUNYJJEO-CQSZACIVSA-N	1	0	363.439	1.457	20	30		FDEDRO
C[NH+]=C(NCc1ccc(Cl)s1)N1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000172285591	672066108	/nfs/dbraw/zinc/06/61/08/672066108.db2.gz	NHUZSQIOEOFVGZ-ZDUSSCGKSA-N	1	0	370.906	1.800	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1CC(N)=NOCC(=O)NCc1cc(F)cc(F)c1	ZINC000174147348	672090363	/nfs/dbraw/zinc/09/03/63/672090363.db2.gz	GJHSFKKIOITDFP-LBPRGKRZSA-N	1	0	354.401	1.744	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCOC[C@H]2C[C@H](O)c2cccs2)CC1	ZINC000176978179	672119534	/nfs/dbraw/zinc/11/95/34/672119534.db2.gz	SWCVPJAVFURFQF-SJORKVTESA-N	1	0	362.495	1.744	20	30		FDEDRO
CC[NH+]=C(NCCC(=O)N1CCN(C)CC1)N1CCS[C@@H](C(C)C)C1	ZINC000179073685	672154297	/nfs/dbraw/zinc/15/42/97/672154297.db2.gz	FGZPJBGVLIUQRT-MRXNPFEDSA-N	1	0	369.579	1.189	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)CN1CCN(S(C)(=O)=O)[C@@H](C)C1	ZINC000245631934	672455266	/nfs/dbraw/zinc/45/52/66/672455266.db2.gz	UVKYETJTSZWITE-DOTOQJQBSA-N	1	0	368.499	1.121	20	30		FDEDRO
C#CCSCCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000247339917	672525365	/nfs/dbraw/zinc/52/53/65/672525365.db2.gz	HMWSEKDXKDRDDH-ZWKOTPCHSA-N	1	0	361.511	1.535	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C[C@H]2CCC[NH2+]2)c1	ZINC000255379260	672617327	/nfs/dbraw/zinc/61/73/27/672617327.db2.gz	SYNHTSKLOIRYRM-SFKFPXOQSA-N	1	0	364.471	1.580	20	30		FDEDRO
C[NH+]=C(NC[C@H]1COCCO1)N1CCN(c2cc(F)ccc2F)CC1	ZINC000261656450	672644501	/nfs/dbraw/zinc/64/45/01/672644501.db2.gz	FOKQFCZUAHAFCR-AWEZNQCLSA-N	1	0	354.401	1.078	20	30		FDEDRO
C[NH+]=C(NCCn1cncn1)N(C)Cc1cc(Br)cn1C	ZINC000261710546	672656656	/nfs/dbraw/zinc/65/66/56/672656656.db2.gz	HFEQGUQEJUZZFM-UHFFFAOYSA-N	1	0	354.256	1.087	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCCN1S(C)(=O)=O)N1CCC(OC(C)(C)C)CC1	ZINC000261716092	672657594	/nfs/dbraw/zinc/65/75/94/672657594.db2.gz	HVBFZFLIJBYWFA-CQSZACIVSA-N	1	0	374.551	1.265	20	30		FDEDRO
CC[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N1C[C@H](C)C[C@H](C)C1	ZINC000261724401	672658727	/nfs/dbraw/zinc/65/87/27/672658727.db2.gz	XIJFCUAFPUUTEB-GASCZTMLSA-N	1	0	358.552	1.601	20	30		FDEDRO
CCc1nsc(N2CCN(C(NCC3(O)CCCC3)=[NH+]C)CC2)n1	ZINC000261744645	672663514	/nfs/dbraw/zinc/66/35/14/672663514.db2.gz	LDJMTYCVIVKVPK-UHFFFAOYSA-N	1	0	352.508	1.103	20	30		FDEDRO
CNC(=O)CNC(=[NH+]C)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1	ZINC000261774623	672669759	/nfs/dbraw/zinc/66/97/59/672669759.db2.gz	OMWYINMMAFMFCF-CYBMUJFWSA-N	1	0	358.364	1.400	20	30		FDEDRO
CC[NH+]=C(NCCN1CCN(C(C)=O)CC1)N1CCS[C@@H](C(C)C)C1	ZINC000261774643	672669950	/nfs/dbraw/zinc/66/99/50/672669950.db2.gz	ONMVJZSOLPKKED-QGZVFWFLSA-N	1	0	369.579	1.189	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC(OCCC[NH3+])CC2)c(Cl)c1	ZINC000261825790	672678956	/nfs/dbraw/zinc/67/89/56/672678956.db2.gz	HSSYVRHNFAYGCC-UHFFFAOYSA-N	1	0	357.863	1.730	20	30		FDEDRO
CC[NH+]=C(NCCO)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1	ZINC000261835460	672680256	/nfs/dbraw/zinc/68/02/56/672680256.db2.gz	VYVGQRJLRRNTJJ-AWEZNQCLSA-N	1	0	366.893	1.373	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCN(S(C)(=O)=O)C1)N(C)CCc1cccs1	ZINC000261838541	672680745	/nfs/dbraw/zinc/68/07/45/672680745.db2.gz	WICQTBBJEURYLG-CYBMUJFWSA-N	1	0	358.533	1.079	20	30		FDEDRO
C[NH+]=C(NCCN1CCCS1(=O)=O)N1CC[C@](C)(c2ccccc2)C1	ZINC000261853152	672683558	/nfs/dbraw/zinc/68/35/58/672683558.db2.gz	YFSZJVJOKNMJAA-SFHVURJKSA-N	1	0	364.515	1.261	20	30		FDEDRO
CCC(=O)N1CC[C@H](NC(NCc2nc(C(F)(F)F)cs2)=[NH+]C)C1	ZINC000261959647	672702410	/nfs/dbraw/zinc/70/24/10/672702410.db2.gz	JRWWEFYGEOFCQE-VIFPVBQESA-N	1	0	363.409	1.838	20	30		FDEDRO
[NH2+]=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)N1CCOCC1	ZINC000261983871	672706939	/nfs/dbraw/zinc/70/69/39/672706939.db2.gz	JHLPVJNUWCSLFC-CYBMUJFWSA-N	1	0	367.291	1.922	20	30		FDEDRO
CC[C@@H]1CN(C(NCc2nnc(C)n2C)=[NH+]C[C@H]2CCCO2)CCS1	ZINC000262015074	672712225	/nfs/dbraw/zinc/71/22/25/672712225.db2.gz	XNFCAQGJEXBYSE-HUUCEWRRSA-N	1	0	366.535	1.576	20	30		FDEDRO
C[NH+]=C(NC[C@@](C)(O)c1ccco1)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000262018855	672712550	/nfs/dbraw/zinc/71/25/50/672712550.db2.gz	VXFCYBWSUQCNCV-GOSISDBHSA-N	1	0	350.463	1.394	20	30		FDEDRO
C=CCNC(N[C@H]1CCc2ccccc2C1)=[NH+]C[C@@H]1CCS(=O)(=O)C1	ZINC000262257880	672756465	/nfs/dbraw/zinc/75/64/65/672756465.db2.gz	RNBVRPPDIJUDND-YJBOKZPZSA-N	1	0	361.511	1.700	20	30		FDEDRO
[NH2+]=C(NC[C@@H](N1CCOCC1)C(F)(F)F)Nc1cc(F)ccc1F	ZINC000262273914	672759737	/nfs/dbraw/zinc/75/97/37/672759737.db2.gz	JDIPPHPIFWMDKD-GFCCVEGCSA-N	1	0	352.307	1.955	20	30		FDEDRO
CN(Cc1ccc[nH]1)C(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CCCC1	ZINC000262330465	672771345	/nfs/dbraw/zinc/77/13/45/672771345.db2.gz	ATCOLJISOXWVCJ-AWEZNQCLSA-N	1	0	352.504	1.769	20	30		FDEDRO
C=C(C)CNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](O)C(C)(C)C1	ZINC000262348325	672774538	/nfs/dbraw/zinc/77/45/38/672774538.db2.gz	DPSONPPUBOGXQB-GJZGRUSLSA-N	1	0	357.520	1.036	20	30		FDEDRO
CC(C)CN1CCN(C(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C(C)C)CC1	ZINC000262371917	672778399	/nfs/dbraw/zinc/77/83/99/672778399.db2.gz	ISJQLAUNQRWMEM-MRXNPFEDSA-N	1	0	358.552	1.049	20	30		FDEDRO
C[NH+]=C(NC[C@@]1(O)CCSC1)N(C)Cc1cnn(-c2ccccc2)c1	ZINC000262377324	672779224	/nfs/dbraw/zinc/77/92/24/672779224.db2.gz	JRNPDFWFWLOQSU-SFHVURJKSA-N	1	0	359.499	1.748	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(=[NH+]C2CC2)N2CC[C@H](C3CCOCC3)C2)C1	ZINC000262381836	672780243	/nfs/dbraw/zinc/78/02/43/672780243.db2.gz	KPDCAAREVMGKOD-ZBFHGGJFSA-N	1	0	369.531	1.278	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(=[NH+]C[C@H]2CCCCO2)N2CCCCC2)C1	ZINC000262385783	672780876	/nfs/dbraw/zinc/78/08/76/672780876.db2.gz	LGPBZRYGAIYEBN-HZPDHXFCSA-N	1	0	357.520	1.422	20	30		FDEDRO
CC[C@H](C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCc2ncsc2C1	ZINC000262387248	672781257	/nfs/dbraw/zinc/78/12/57/672781257.db2.gz	LPCFEXJTIKGMEH-QWHCGFSZSA-N	1	0	370.544	1.680	20	30		FDEDRO
Cc1nc(CNC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)sc1C	ZINC000262417926	672786213	/nfs/dbraw/zinc/78/62/13/672786213.db2.gz	QNEDBEIIAFAABK-GFCCVEGCSA-N	1	0	356.517	1.392	20	30		FDEDRO
C[NH+]=C(NCCc1nc2c(s1)CCCC2)NC[C@H]1CCS(=O)(=O)C1	ZINC000262433814	672788804	/nfs/dbraw/zinc/78/88/04/672788804.db2.gz	STXCOACYXOZKCC-GFCCVEGCSA-N	1	0	370.544	1.164	20	30		FDEDRO
CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCS[C@H](C(C)C)C1	ZINC000262438967	672789833	/nfs/dbraw/zinc/78/98/33/672789833.db2.gz	UHDXQKSFUSXSMH-GJZGRUSLSA-N	1	0	361.577	1.850	20	30		FDEDRO
C[NH+]=C(NCc1ccc(S(N)(=O)=O)s1)NCc1nc(C)c(C)s1	ZINC000262447100	672791066	/nfs/dbraw/zinc/79/10/66/672791066.db2.gz	VKCJXQRIUFBCPD-UHFFFAOYSA-N	1	0	373.529	1.334	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(NC[C@@H]2CCOC2)=[NH+]C2CCCCC2)C1	ZINC000262450544	672791484	/nfs/dbraw/zinc/79/14/84/672791484.db2.gz	VVUWKWAWQXJALF-LSDHHAIUSA-N	1	0	357.520	1.326	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(NC[C@@H]2CCCS2)=[NH+]C2CCCC2)C1	ZINC000262449611	672791559	/nfs/dbraw/zinc/79/15/59/672791559.db2.gz	VRWJONYWLZTCHO-HIFRSBDPSA-N	1	0	359.561	1.795	20	30		FDEDRO
C=C(C)CNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CC[C@]2(CCOC2)C1	ZINC000262456535	672792603	/nfs/dbraw/zinc/79/26/03/672792603.db2.gz	WVMCPWPJWVTTKA-RDJZCZTQSA-N	1	0	355.504	1.055	20	30		FDEDRO
CC(C)C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@H]([C@H]2CCOC2)C1	ZINC000262464521	672794214	/nfs/dbraw/zinc/79/42/14/672794214.db2.gz	YAGSWYMRNARGBG-ULQDDVLXSA-N	1	0	371.547	1.381	20	30		FDEDRO
CC(C)C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@H]([C@@H]2CCOC2)C1	ZINC000262464522	672794334	/nfs/dbraw/zinc/79/43/34/672794334.db2.gz	YAGSWYMRNARGBG-YESZJQIVSA-N	1	0	371.547	1.381	20	30		FDEDRO
[NH2+]=C(N[C@@H]1CCn2ccnc2C1)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000262494023	672798884	/nfs/dbraw/zinc/79/88/84/672798884.db2.gz	YJSVLJAJDRPDRF-OAHLLOKOSA-N	1	0	358.877	1.988	20	30		FDEDRO
Cc1cc(Br)cn2cc(CNC(=[NH2+])N3CCO[C@@H](C)C3)nc12	ZINC000262493696	672798900	/nfs/dbraw/zinc/79/89/00/672798900.db2.gz	VSZVRTSNDVFUTI-NSHDSACASA-N	1	0	366.263	1.941	20	30		FDEDRO
[NH2+]=C(N[C@H]1CCn2ccnc2C1)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000262494022	672798926	/nfs/dbraw/zinc/79/89/26/672798926.db2.gz	YJSVLJAJDRPDRF-HNNXBMFYSA-N	1	0	358.877	1.988	20	30		FDEDRO
C[C@H]1CCCN(C(=[NH2+])NCC2CCN(S(=O)(=O)C(F)F)CC2)C1	ZINC000262513866	672801575	/nfs/dbraw/zinc/80/15/75/672801575.db2.gz	FLXYRWLVSHRNPT-NSHDSACASA-N	1	0	352.451	1.297	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1COCCO1)N(C)Cc1ccc(Br)cc1	ZINC000262524497	672803224	/nfs/dbraw/zinc/80/32/24/672803224.db2.gz	GDLGYXKFQUWKDE-CQSZACIVSA-N	1	0	356.264	1.872	20	30		FDEDRO
C[NH+]=C(NCCNS(C)(=O)=O)N(C)Cc1c(F)cccc1Cl	ZINC000262593467	672813349	/nfs/dbraw/zinc/81/33/49/672813349.db2.gz	VTNIIEHFVLPKPT-UHFFFAOYSA-N	1	0	350.847	1.036	20	30		FDEDRO
CN1CC[NH+]=C1NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1	ZINC000262663030	672827058	/nfs/dbraw/zinc/82/70/58/672827058.db2.gz	NLHDEVIROBPREZ-OAHLLOKOSA-N	1	0	356.392	1.970	20	30		FDEDRO
[NH2+]=C(NCCC1CCS(=O)(=O)CC1)N[C@@H]1CCOc2ccccc21	ZINC000262688743	672830423	/nfs/dbraw/zinc/83/04/23/672830423.db2.gz	ZNUYWBLKZMRNBY-OAHLLOKOSA-N	1	0	351.472	1.629	20	30		FDEDRO
C[NH+]=C(NC[C@H](O)C(F)(F)F)N(C)Cc1nc2c(s1)CCCC2	ZINC000262754667	672842030	/nfs/dbraw/zinc/84/20/30/672842030.db2.gz	ATXKZWUXBLHWSG-NSHDSACASA-N	1	0	350.410	1.952	20	30		FDEDRO
C[NH+]=C(NCC1CCN(C(C)=O)CC1)N1CCC[C@]2(CCCOC2)C1	ZINC000262789291	672849969	/nfs/dbraw/zinc/84/99/69/672849969.db2.gz	NPUBSTPBCDGXAB-IBGZPJMESA-N	1	0	350.507	1.713	20	30		FDEDRO
CN1CCC[NH+]=C1NCC(=O)Nc1ccc(I)cc1	ZINC000263202921	672866923	/nfs/dbraw/zinc/86/69/23/672866923.db2.gz	XPPUKIQOZZHWDX-UHFFFAOYSA-N	1	0	372.210	1.511	20	30		FDEDRO
CCN1CCC[C@H]1CNC(=[NH2+])NCCCS(=O)(=O)c1ccccc1	ZINC000264063423	672899671	/nfs/dbraw/zinc/89/96/71/672899671.db2.gz	AEGKYJJSRIBZCZ-HNNXBMFYSA-N	1	0	352.504	1.239	20	30		FDEDRO
C[NH+]1CCC(O)(CNC(=O)NCCSCc2ccccc2C#N)CC1	ZINC000265816264	672994992	/nfs/dbraw/zinc/99/49/92/672994992.db2.gz	ABKPTXVHZUTILZ-UHFFFAOYSA-N	1	0	362.499	1.547	20	30		FDEDRO
C=CC[NH+]1CCC(Nc2ccc(S(N)(=O)=O)cc2C(=O)OC)CC1	ZINC000266353235	673109106	/nfs/dbraw/zinc/10/91/06/673109106.db2.gz	JSGZGHVYPMRILO-UHFFFAOYSA-N	1	0	353.444	1.183	20	30		FDEDRO
[NH2+]=C(NCC(=O)NCC(F)(F)F)NCc1cccc(C(F)(F)F)c1	ZINC000266983727	673228655	/nfs/dbraw/zinc/22/86/55/673228655.db2.gz	OQOBKKWOFXXAMW-UHFFFAOYSA-N	1	0	356.270	1.788	20	30		FDEDRO
C#CCOc1ccccc1C[N@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1	ZINC000289317659	676119915	/nfs/dbraw/zinc/11/99/15/676119915.db2.gz	FJQPBVWARXAEJO-INIZCTEOSA-N	1	0	350.484	1.802	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCCc1nc(C(F)(F)F)cs1	ZINC000267442331	673304539	/nfs/dbraw/zinc/30/45/39/673304539.db2.gz	PLTFMOYNHQOWBS-UHFFFAOYSA-N	1	0	365.425	1.331	20	30		FDEDRO
COc1ccc(O[C@H](C)CNC(=[NH2+])NCCCN2CCOCC2)cc1	ZINC000267462492	673306741	/nfs/dbraw/zinc/30/67/41/673306741.db2.gz	VQQPFTSPXYSUAJ-OAHLLOKOSA-N	1	0	350.463	1.089	20	30		FDEDRO
C[C@]1(CNC(=[NH2+])NCCCN2CCOCC2)OCCc2sccc21	ZINC000290629208	676219215	/nfs/dbraw/zinc/21/92/15/676219215.db2.gz	LCMNWLVPOLINAS-QGZVFWFLSA-N	1	0	352.504	1.163	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000281870231	675571389	/nfs/dbraw/zinc/57/13/89/675571389.db2.gz	CNHSWHCQQWJLRK-VYDXJSESSA-N	1	0	350.488	1.433	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NCC1([NH+](C)C)Cc2ccccc2C1	ZINC000282326669	675622687	/nfs/dbraw/zinc/62/26/87/675622687.db2.gz	AQMXMQZWDTZIPQ-CQSZACIVSA-N	1	0	350.488	1.154	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCC[C@H](CO)C1)C(C)C	ZINC000283155836	675649545	/nfs/dbraw/zinc/64/95/45/675649545.db2.gz	KGJULIJPDKHDAJ-IRXDYDNUSA-N	1	0	351.491	1.032	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1	ZINC000284514111	675723150	/nfs/dbraw/zinc/72/31/50/675723150.db2.gz	QUXYLANAVIEFQE-UHFFFAOYSA-N	1	0	365.499	1.279	20	30		FDEDRO
CCC[C@H](C)C(=O)NCCNC(=[NH2+])NCc1ccc(OC)c(OC)c1	ZINC000292270214	676292672	/nfs/dbraw/zinc/29/26/72/676292672.db2.gz	GUZVYLHDGYMWJU-ZDUSSCGKSA-N	1	0	350.463	1.661	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(F)c2)C[C@H]1[NH+]1CCCC1	ZINC000292734227	676308259	/nfs/dbraw/zinc/30/82/59/676308259.db2.gz	VCNQIGWCXNKOHK-HZPDHXFCSA-N	1	0	369.487	1.898	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(C)cc(Br)c1	ZINC000293255780	676340808	/nfs/dbraw/zinc/34/08/08/676340808.db2.gz	DSQPDJJAHSAECU-UHFFFAOYSA-N	1	0	366.259	1.767	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Br)cc1	ZINC000293463634	676351933	/nfs/dbraw/zinc/35/19/33/676351933.db2.gz	UIQCCFQLABUEKA-UHFFFAOYSA-N	1	0	352.232	1.459	20	30		FDEDRO
C[C@@H](NS(=O)(=O)CCC#N)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000295649692	676408657	/nfs/dbraw/zinc/40/86/57/676408657.db2.gz	HIZLKWJGJZDTBO-CYBMUJFWSA-N	1	0	354.451	1.472	20	30		FDEDRO
CNS(=O)(=O)c1cccc(CNC(=[NH2+])NCCc2cccs2)c1	ZINC000303873263	676543324	/nfs/dbraw/zinc/54/33/24/676543324.db2.gz	CJXWYTFPZHHHDF-UHFFFAOYSA-N	1	0	352.485	1.303	20	30		FDEDRO
[NH2+]=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCSCC1	ZINC000303865952	676543347	/nfs/dbraw/zinc/54/33/47/676543347.db2.gz	BYYQLGQUHTYQTC-UHFFFAOYSA-N	1	0	352.479	1.650	20	30		FDEDRO
C[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)Oc1ccc(Cl)cc1	ZINC000304744969	676544267	/nfs/dbraw/zinc/54/42/67/676544267.db2.gz	YEXIEQJTBNXHGX-AWEZNQCLSA-N	1	0	354.882	1.734	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)N[C@@H]1C[C@H]1c1c(F)cccc1Cl	ZINC000304750073	676544311	/nfs/dbraw/zinc/54/43/11/676544311.db2.gz	ICJZLPDHOHXLIA-IUODEOHRSA-N	1	0	354.857	1.962	20	30		FDEDRO
C#CCN(C)CCC[NH2+]C[C@H](O)COc1ccc(Br)cc1	ZINC000328183061	676598048	/nfs/dbraw/zinc/59/80/48/676598048.db2.gz	NSSGHZPYZSCBGD-HNNXBMFYSA-N	1	0	355.276	1.734	20	30		FDEDRO
CS(=O)(=O)N1CCC(CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1	ZINC000328666737	676601554	/nfs/dbraw/zinc/60/15/54/676601554.db2.gz	CZWUVPYYBAAPNB-MRXNPFEDSA-N	1	0	372.535	1.132	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)C1	ZINC000328726692	676604297	/nfs/dbraw/zinc/60/42/97/676604297.db2.gz	UQHSIFYKKKHDKE-NEPJUHHUSA-N	1	0	350.385	1.385	20	30		FDEDRO
C[C@H](NC(=O)CN1CC[C@@]2(C1)CCC[N@H+](C)C2)C(=O)N1CCCCC1	ZINC000328800073	676607389	/nfs/dbraw/zinc/60/73/89/676607389.db2.gz	YCYZMJUNGJNBHS-LPHOPBHVSA-N	1	0	350.507	1.762	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN(C(=O)NC2CCCCC2)CC1)[C@H]1CCSC1	ZINC000328813669	676608260	/nfs/dbraw/zinc/60/82/60/676608260.db2.gz	NLTCOBYIRSLJRG-INIZCTEOSA-N	1	0	368.547	1.815	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCN1CCN(C(=O)C2CCC2)CC1	ZINC000328952122	676613503	/nfs/dbraw/zinc/61/35/03/676613503.db2.gz	XNPUMFNYGQZTQG-IYBDPMFKSA-N	1	0	350.507	1.760	20	30		FDEDRO
CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)C[C@H]1C	ZINC000329013485	676616122	/nfs/dbraw/zinc/61/61/22/676616122.db2.gz	FJSHDMYVHKYMPG-FRRDWIJNSA-N	1	0	364.412	1.868	20	30		FDEDRO
Cc1nc(CN2CCC(CNC(=O)[C@H]3COCCN3C)CC2)oc1C	ZINC000329054183	676617823	/nfs/dbraw/zinc/61/78/23/676617823.db2.gz	XHPOTSNEEPFWAP-MRXNPFEDSA-N	1	0	350.463	1.791	20	30		FDEDRO
O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCCS(=O)(=O)CC1	ZINC000329093878	676619753	/nfs/dbraw/zinc/61/97/53/676619753.db2.gz	BBKMPMGPWAGJEH-UHFFFAOYSA-N	1	0	366.487	1.333	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](c2nc(C)no2)C2CCOCC2)C1	ZINC000329124380	676621356	/nfs/dbraw/zinc/62/13/56/676621356.db2.gz	LVHCAMPUALHMRQ-GJZGRUSLSA-N	1	0	351.451	1.834	20	30		FDEDRO
C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCCS(=O)(=O)C2)C1	ZINC000329286314	676630960	/nfs/dbraw/zinc/63/09/60/676630960.db2.gz	PEIXTAMGZIIUSF-HUUCEWRRSA-N	1	0	359.536	1.825	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)C1	ZINC000329294441	676631514	/nfs/dbraw/zinc/63/15/14/676631514.db2.gz	RZMNUHHCWIHVIB-IAGOWNOFSA-N	1	0	350.507	1.823	20	30		FDEDRO
C[C@H](CNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O)[NH+]1CCC(C)CC1	ZINC000329470296	676640108	/nfs/dbraw/zinc/64/01/08/676640108.db2.gz	YSSVUUBDVOAIRU-XMTFNYHQSA-N	1	0	353.507	1.883	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C[C@@H](C)S1(=O)=O	ZINC000329635220	676647342	/nfs/dbraw/zinc/64/73/42/676647342.db2.gz	XNWAMVCBNMSHAN-HUUCEWRRSA-N	1	0	373.519	1.053	20	30		FDEDRO
CN1CC[NH+](CC2(C)CCN(CC(=O)NC(=O)NC3CC3)CC2)CC1	ZINC000329666922	676648510	/nfs/dbraw/zinc/64/85/10/676648510.db2.gz	LDGKLDOCKNTIED-UHFFFAOYSA-N	1	0	351.495	1.369	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C[C@@H]1C	ZINC000329716649	676651276	/nfs/dbraw/zinc/65/12/76/676651276.db2.gz	WSFSSXQUYFTNII-TTZDDIAXSA-N	1	0	354.495	1.821	20	30		FDEDRO
CC(C)[N@@H+]1CCCN(C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CC1	ZINC000329716490	676651319	/nfs/dbraw/zinc/65/13/19/676651319.db2.gz	WNEMUCOAQHXSSG-OAHLLOKOSA-N	1	0	372.535	1.273	20	30		FDEDRO
O=C(NC[C@@H](c1ccccc1)N1CCCC1)N[C@H]1CCCS(=O)(=O)C1	ZINC000329727116	676651906	/nfs/dbraw/zinc/65/19/06/676651906.db2.gz	CIVAUKHYAWQPDE-IRXDYDNUSA-N	1	0	365.499	1.904	20	30		FDEDRO
O=C(N[C@H]1CCCS(=O)(=O)C1)N1CCC(OCC[NH+]2CCCC2)CC1	ZINC000329778222	676655348	/nfs/dbraw/zinc/65/53/48/676655348.db2.gz	KZLCYHSHQVSJFA-HNNXBMFYSA-N	1	0	373.519	1.054	20	30		FDEDRO
CS(=O)(=O)N1CCC[C@H](NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1	ZINC000329822687	676659386	/nfs/dbraw/zinc/65/93/86/676659386.db2.gz	HLOKALXXSFHMDW-HNNXBMFYSA-N	1	0	372.535	1.275	20	30		FDEDRO
C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000329997722	676668153	/nfs/dbraw/zinc/66/81/53/676668153.db2.gz	QZUYZLVRQNUQDA-JBPKCIQUSA-N	1	0	357.520	1.120	20	30		FDEDRO
N#CC1(CS(=O)(=O)N2CCN(C3CCOCC3)CC2)CCCCC1	ZINC000330018890	676668817	/nfs/dbraw/zinc/66/88/17/676668817.db2.gz	UGHNPRWXPBVOOU-UHFFFAOYSA-N	1	0	355.504	1.587	20	30		FDEDRO
C[C@H]1c2nncn2CCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1	ZINC000330072250	676671112	/nfs/dbraw/zinc/67/11/12/676671112.db2.gz	YWBCMXNYUKYAEJ-AWEZNQCLSA-N	1	0	364.519	1.930	20	30		FDEDRO
CS[C@@H]1CN(CC(=O)N2CCC[C@H](NC(C)=O)C2)C[C@@H]1[NH+]1CCCC1	ZINC000330138019	676674808	/nfs/dbraw/zinc/67/48/08/676674808.db2.gz	VHWAHQIKQQBQEV-YESZJQIVSA-N	1	0	368.547	1.465	20	30		FDEDRO
C[N@H+](CC(=O)NCc1cccc(N2CCOCC2)n1)[C@H]1CCSC1	ZINC000330152580	676675415	/nfs/dbraw/zinc/67/54/15/676675415.db2.gz	MDJFHZLQLBUYHK-HNNXBMFYSA-N	1	0	350.488	1.812	20	30		FDEDRO
CN(C(=O)NC1CC[NH+](C2CCCC2)CC1)[C@H]1CCN(S(C)(=O)=O)C1	ZINC000330198234	676677937	/nfs/dbraw/zinc/67/79/37/676677937.db2.gz	SYULYWQKQKRPNQ-INIZCTEOSA-N	1	0	372.535	1.273	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)C12CCOCC2	ZINC000330214116	676678945	/nfs/dbraw/zinc/67/89/45/676678945.db2.gz	LLJXPYVPRFGGAL-LZLYRXPVSA-N	1	0	351.491	1.902	20	30		FDEDRO
CC(C)(C)S(=O)(=O)N1CCC(NC(=O)[C@@H]2CCn3cncc3C2)CC1	ZINC000330219330	676679340	/nfs/dbraw/zinc/67/93/40/676679340.db2.gz	KBZWAANLUKJEBG-CYBMUJFWSA-N	1	0	368.503	1.995	20	30		FDEDRO
CC(C)N1CC[C@@H](NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C1=O	ZINC000330271912	676682362	/nfs/dbraw/zinc/68/23/62/676682362.db2.gz	WTHWQQVCUAZMHR-GOEBONIOSA-N	1	0	352.479	1.095	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCC2(C1)CCOCC2	ZINC000330312237	676683749	/nfs/dbraw/zinc/68/37/49/676683749.db2.gz	ODRWEBJULXQOJY-IAGOWNOFSA-N	1	0	351.491	1.781	20	30		FDEDRO
C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1ncnn1C(C)(C)C	ZINC000330388383	676688071	/nfs/dbraw/zinc/68/80/71/676688071.db2.gz	NIIOGSIVQZZIPT-ZDUSSCGKSA-N	1	0	352.483	1.224	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)N2CCC(N(C)C(C)=O)CC2)CC1	ZINC000330442337	676690905	/nfs/dbraw/zinc/69/09/05/676690905.db2.gz	FDAZJYBBQPTVSP-UHFFFAOYSA-N	1	0	354.495	1.344	20	30		FDEDRO
CCCC[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1	ZINC000330690282	676700730	/nfs/dbraw/zinc/70/07/30/676700730.db2.gz	APDDXYGYWIUYRF-CVEARBPZSA-N	1	0	374.551	1.615	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)C1	ZINC000330724721	676702308	/nfs/dbraw/zinc/70/23/08/676702308.db2.gz	JESBDAIZRARBRF-KFWWJZLASA-N	1	0	360.524	1.082	20	30		FDEDRO
C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)CC2(C#N)CCCCC2)CC1	ZINC000331083413	676716189	/nfs/dbraw/zinc/71/61/89/676716189.db2.gz	YPXVJPRXPKUFCZ-INIZCTEOSA-N	1	0	371.547	1.815	20	30		FDEDRO
C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@H](CS(C)(=O)=O)C1	ZINC000331098749	676716660	/nfs/dbraw/zinc/71/66/60/676716660.db2.gz	DTFSJAKBQKLBRP-FZKCQIBNSA-N	1	0	359.536	1.633	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(S(=O)(=O)NC)cn2)C[C@@H]1C	ZINC000331152266	676718865	/nfs/dbraw/zinc/71/88/65/676718865.db2.gz	IFMWGNVIGGQEPX-STQMWFEESA-N	1	0	369.491	1.340	20	30		FDEDRO
CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)N2CCC([N@H+](C)CCO)CC2)C1	ZINC000331168707	676719861	/nfs/dbraw/zinc/71/98/61/676719861.db2.gz	NAGDTSKCCTXWRX-WDNXAPGXSA-N	1	0	359.536	1.369	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(S(=O)(=O)NC)cn2)C1	ZINC000331192930	676720956	/nfs/dbraw/zinc/72/09/56/676720956.db2.gz	XSPUDDRTUXLZBS-GFCCVEGCSA-N	1	0	355.464	1.048	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H](c2cnn(C)c2)C(F)(F)F)C[C@@H]1C	ZINC000331316134	676727129	/nfs/dbraw/zinc/72/71/29/676727129.db2.gz	FLJSTWZUPKQNMD-GMXVVIOVSA-N	1	0	363.384	1.324	20	30		FDEDRO
CC(C)(O)C[NH+]1CCN(C(=O)NCc2ccc(OC(F)F)cn2)CC1	ZINC000331348017	676728398	/nfs/dbraw/zinc/72/83/98/676728398.db2.gz	SVIIEIWHUJWRPV-UHFFFAOYSA-N	1	0	358.389	1.486	20	30		FDEDRO
N#CCc1ccc(C[N@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1	ZINC000331420200	676729131	/nfs/dbraw/zinc/72/91/31/676729131.db2.gz	HXRUZHFQVKFYQH-GOSISDBHSA-N	1	0	363.483	1.379	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1	ZINC000332691435	676744456	/nfs/dbraw/zinc/74/44/56/676744456.db2.gz	SQSGFYVHWUEOLV-BQFCYCMXSA-N	1	0	351.491	1.862	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(F)cc1C#N	ZINC000360455669	676868091	/nfs/dbraw/zinc/86/80/91/676868091.db2.gz	SHSMAVIEOUWORJ-OWCLPIDISA-N	1	0	367.446	1.570	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@H](S(=O)(=O)NC)C1)C(C)C	ZINC000362129024	676909330	/nfs/dbraw/zinc/90/93/30/676909330.db2.gz	JYJGOQVAEWZNCQ-CVEARBPZSA-N	1	0	372.535	1.018	20	30		FDEDRO
C=CCN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCS(=O)(=O)C1	ZINC000362858245	676925815	/nfs/dbraw/zinc/92/58/15/676925815.db2.gz	ATUGXQAPYFRFDK-WBVHZDCISA-N	1	0	354.516	1.843	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)CN[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C	ZINC000364342202	677009135	/nfs/dbraw/zinc/00/91/35/677009135.db2.gz	MAJVWRLIADTMBN-VSZNYVQBSA-N	1	0	350.507	1.474	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH+]1CCC(COc2ccc(Cl)nc2)CC1	ZINC000364870061	677058349	/nfs/dbraw/zinc/05/83/49/677058349.db2.gz	UXQUAVSRLZPMFY-UHFFFAOYSA-N	1	0	366.849	1.838	20	30		FDEDRO
Cc1cc(S(=O)(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)ccc1C#N	ZINC000365554377	677363465	/nfs/dbraw/zinc/36/34/65/677363465.db2.gz	ZTTOXAMXIBTDBC-KRWDZBQOSA-N	1	0	362.499	1.267	20	30		FDEDRO
CS(=O)(=O)N1CC[C@@H](C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)C1	ZINC000366887644	677473154	/nfs/dbraw/zinc/47/31/54/677473154.db2.gz	WNBHFJVMDWQNEI-INIZCTEOSA-N	1	0	363.483	1.683	20	30		FDEDRO
COCCC[N@@H+]1CCCN(CCC(=O)Nc2sccc2C#N)CC1	ZINC000370168932	677549391	/nfs/dbraw/zinc/54/93/91/677549391.db2.gz	JYRVLBBWAMFOCX-UHFFFAOYSA-N	1	0	350.488	1.993	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1	ZINC000371684858	677757424	/nfs/dbraw/zinc/75/74/24/677757424.db2.gz	HWYDFAZPUKGJNT-UHFFFAOYSA-N	1	0	371.547	1.741	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3ccc(F)cc3C#N)CC2)C1	ZINC000371949774	677813057	/nfs/dbraw/zinc/81/30/57/677813057.db2.gz	JKFXVABKXUVYQZ-INIZCTEOSA-N	1	0	366.462	1.098	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1cccc(Cl)c1	ZINC000373180736	678041843	/nfs/dbraw/zinc/04/18/43/678041843.db2.gz	WEPLAUUQBJJITL-PBHICJAKSA-N	1	0	364.877	1.934	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1	ZINC000373893247	678068352	/nfs/dbraw/zinc/06/83/52/678068352.db2.gz	XCQOIYIGPTYWIU-TVFCKZIOSA-N	1	0	351.491	1.768	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)NC1CC[NH+](C2CCCC2)CC1	ZINC000374448308	678081131	/nfs/dbraw/zinc/08/11/31/678081131.db2.gz	YDUVGFVOGDLVIC-UHFFFAOYSA-N	1	0	358.508	1.090	20	30		FDEDRO
CCn1cnc2c(c1=O)CC[N@H+](CCC(=O)Nc1sccc1C#N)C2	ZINC000375724186	678163048	/nfs/dbraw/zinc/16/30/48/678163048.db2.gz	UPLRXJKMUKYNPY-UHFFFAOYSA-N	1	0	357.439	1.583	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)ccc1C(F)(F)F	ZINC000376114702	678226676	/nfs/dbraw/zinc/22/66/76/678226676.db2.gz	MMSVEDXXMZSVLE-QMTHXVAHSA-N	1	0	359.373	1.950	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CNC(=O)NCC(=O)NCC#N)[C@@H]1c1cccc(Cl)c1	ZINC000376318181	678272507	/nfs/dbraw/zinc/27/25/07/678272507.db2.gz	ZROWGVCBELCOFD-BBRMVZONSA-N	1	0	363.849	1.272	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)C(=O)N1CCC(OCCC[NH3+])CC1	ZINC000423013218	680771914	/nfs/dbraw/zinc/77/19/14/680771914.db2.gz	FLQUAGLKSUJEIY-UHFFFAOYSA-N	1	0	365.499	1.619	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1	ZINC000377064005	678441006	/nfs/dbraw/zinc/44/10/06/678441006.db2.gz	ZYGNDFZPGPRCQP-CQSZACIVSA-N	1	0	368.528	1.410	20	30		FDEDRO
N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@@H]3C(=O)NC[C@H]3C1)CCC2	ZINC000377719746	678598209	/nfs/dbraw/zinc/59/82/09/678598209.db2.gz	KZLYXMKUSMYGJR-RYUDHWBXSA-N	1	0	358.467	1.505	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC(N(C)S(C)(=O)=O)CC2)CC1	ZINC000408096008	678829505	/nfs/dbraw/zinc/82/95/05/678829505.db2.gz	UKRFIJMAHFOZKO-UHFFFAOYSA-N	1	0	372.535	1.092	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000409501217	678853557	/nfs/dbraw/zinc/85/35/57/678853557.db2.gz	LTHIVXJDSHVSRZ-RDJZCZTQSA-N	1	0	350.488	1.577	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)NCc1cccc(OCC[NH+](C)C)c1	ZINC000409546080	678857829	/nfs/dbraw/zinc/85/78/29/678857829.db2.gz	BXTHKILXRXREPZ-OAHLLOKOSA-N	1	0	368.503	1.443	20	30		FDEDRO
N#C[C@@H]1CN(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)CCO1	ZINC000410159709	678888245	/nfs/dbraw/zinc/88/82/45/678888245.db2.gz	ALEFJJQWGNXIPU-DLBZAZTESA-N	1	0	370.519	1.090	20	30		FDEDRO
CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1C#N	ZINC000411632529	679055460	/nfs/dbraw/zinc/05/54/60/679055460.db2.gz	GFMUPAZGKWTYML-JKSUJKDBSA-N	1	0	364.471	1.337	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1	ZINC000414895351	679373077	/nfs/dbraw/zinc/37/30/77/679373077.db2.gz	NEGYSZBTAYIRBZ-XJKSGUPXSA-N	1	0	366.487	1.613	20	30		FDEDRO
CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(=O)N3CC[NH2+]CC3)sc2C1	ZINC000415279016	679401438	/nfs/dbraw/zinc/40/14/38/679401438.db2.gz	CDHQCJKMNDHYDK-GFCCVEGCSA-N	1	0	360.483	1.751	20	30		FDEDRO
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@H](CC[NH3+])C(F)F)n1	ZINC000415458789	679434129	/nfs/dbraw/zinc/43/41/29/679434129.db2.gz	LYNSGSXAQSIGHZ-LLVKDONJSA-N	1	0	368.775	2.501	20	30		FDEDRO
C[NH2+]C[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1	ZINC000415467526	679435157	/nfs/dbraw/zinc/43/51/57/679435157.db2.gz	VPKAQGLFTNYVFH-LBPRGKRZSA-N	1	0	358.833	2.471	20	30		FDEDRO
C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1	ZINC000415468293	679435390	/nfs/dbraw/zinc/43/53/90/679435390.db2.gz	WBZBXQKFRQLFAY-FZMZJTMJSA-N	1	0	358.833	2.517	20	30		FDEDRO
N#CCCSc1ccccc1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1	ZINC000415756193	679493729	/nfs/dbraw/zinc/49/37/29/679493729.db2.gz	AVANEGOAXTYJBF-KBPBESRZSA-N	1	0	358.467	1.841	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)C2)nc1	ZINC000416053315	679549651	/nfs/dbraw/zinc/54/96/51/679549651.db2.gz	VLJKGFWSMJTTTO-NWDGAFQWSA-N	1	0	357.336	1.396	20	30		FDEDRO
CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000419123000	680194405	/nfs/dbraw/zinc/19/44/05/680194405.db2.gz	XPXLJZQMOCRYCL-AWEZNQCLSA-N	1	0	355.360	1.273	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3	ZINC000419154589	680202952	/nfs/dbraw/zinc/20/29/52/680202952.db2.gz	RUNMUDQLEKYMIX-UHFFFAOYSA-N	1	0	351.516	1.292	20	30		FDEDRO
C=C(C)[C@@H](NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1	ZINC000419670490	680313769	/nfs/dbraw/zinc/31/37/69/680313769.db2.gz	CWSGFQGUCSDNHA-MLGOLLRUSA-N	1	0	351.397	1.814	20	30		FDEDRO
C[C@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000420410944	680441802	/nfs/dbraw/zinc/44/18/02/680441802.db2.gz	ACICKASGEDVQGV-VHSXEESVSA-N	1	0	358.261	1.679	20	30		FDEDRO
C[C@@H]1C[NH2+][C@@H](C)CN1S(=O)(=O)c1cccc(Br)c1C#N	ZINC000420419022	680443503	/nfs/dbraw/zinc/44/35/03/680443503.db2.gz	ITGHPHIXGCQFJU-VHSXEESVSA-N	1	0	358.261	1.692	20	30		FDEDRO
C[C@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1cccc(Br)c1C#N	ZINC000420421712	680444856	/nfs/dbraw/zinc/44/48/56/680444856.db2.gz	FTMDHBRLVVXKFL-SKDRFNHKSA-N	1	0	358.261	1.740	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)c1	ZINC000420770775	680551427	/nfs/dbraw/zinc/55/14/27/680551427.db2.gz	QSIIVAZAUIQLKT-OAHLLOKOSA-N	1	0	351.472	1.317	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCc1ccc(C#N)s1	ZINC000420813092	680558312	/nfs/dbraw/zinc/55/83/12/680558312.db2.gz	VMOANXLAOLNTKI-HNNXBMFYSA-N	1	0	363.487	1.362	20	30		FDEDRO
CNC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1	ZINC000420981315	680584472	/nfs/dbraw/zinc/58/44/72/680584472.db2.gz	WAASAMYXPPYGBX-GFCCVEGCSA-N	1	0	360.483	1.895	20	30		FDEDRO
C[C@@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)C(=O)N(C)CCC#N	ZINC000428798702	681014630	/nfs/dbraw/zinc/01/46/30/681014630.db2.gz	BTTXLIMOLPRIMC-RISCZKNCSA-N	1	0	354.248	1.833	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1	ZINC000430397451	681075073	/nfs/dbraw/zinc/07/50/73/681075073.db2.gz	VYPMHIMXXHQJMB-DLBZAZTESA-N	1	0	351.491	1.274	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC([C@@H](O)C(=O)NC2CC2)CC1	ZINC000434716652	681515839	/nfs/dbraw/zinc/51/58/39/681515839.db2.gz	GUGYZQVGDLSZDO-WMLDXEAASA-N	1	0	351.491	1.151	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2	ZINC000435681443	681622396	/nfs/dbraw/zinc/62/23/96/681622396.db2.gz	KGWWWEUWIHDXNK-OAHLLOKOSA-N	1	0	362.499	1.704	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC([C@@H](C)[NH3+])CC2)c1	ZINC000440353191	681990118	/nfs/dbraw/zinc/99/01/18/681990118.db2.gz	IAYOYZOVGROLOE-CYBMUJFWSA-N	1	0	351.472	1.350	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1CS(=O)(=O)NC	ZINC000440388778	681994619	/nfs/dbraw/zinc/99/46/19/681994619.db2.gz	WFZLYKIYERTCJQ-IAGOWNOFSA-N	1	0	368.499	1.168	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCNC[C@H]2CCC)c1	ZINC000440833755	682028679	/nfs/dbraw/zinc/02/86/79/682028679.db2.gz	PFNXOSATSZSLTO-OAHLLOKOSA-N	1	0	351.472	1.365	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2ccc(C)c(S(C)(=O)=O)c2)CC1	ZINC000444117181	682382761	/nfs/dbraw/zinc/38/27/61/682382761.db2.gz	RREBXOOCBHHQDW-UHFFFAOYSA-N	1	0	365.499	1.848	20	30		FDEDRO
N#Cc1c(NC(=O)CC[NH2+][C@@H](CO)[C@@H]2CCCO2)sc2c1CCCC2	ZINC000447920910	682579354	/nfs/dbraw/zinc/57/93/54/682579354.db2.gz	ISTVSLQGKLYVND-GJZGRUSLSA-N	1	0	363.483	1.957	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1	ZINC000451295024	682857803	/nfs/dbraw/zinc/85/78/03/682857803.db2.gz	LTGKMZPFZVTTRN-CYBMUJFWSA-N	1	0	359.348	1.730	20	30		FDEDRO
C[C@@H](CNS(=O)(=O)c1cc(Br)c(C#N)cc1F)[NH+](C)C	ZINC000451924398	682969690	/nfs/dbraw/zinc/96/96/90/682969690.db2.gz	DPNBGMLCIRZUHK-QMMMGPOBSA-N	1	0	364.240	1.688	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1	ZINC000453660704	683179189	/nfs/dbraw/zinc/17/91/89/683179189.db2.gz	ZLLYRFGRXJCUCX-CYBMUJFWSA-N	1	0	364.833	1.181	20	30		FDEDRO
C[C@@H](CCNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1)[NH+]1CCCCC1	ZINC000453687695	683186626	/nfs/dbraw/zinc/18/66/26/683186626.db2.gz	KWTXJQRTLCHLDS-LBPRGKRZSA-N	1	0	363.849	1.926	20	30		FDEDRO
C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2cnc(C#N)c(Cl)c2)C1	ZINC000453711889	683193046	/nfs/dbraw/zinc/19/30/46/683193046.db2.gz	GTFSZUHDJZJARH-ABAIWWIYSA-N	1	0	361.833	1.488	20	30		FDEDRO
N#Cc1c(NC(=O)CC[N@H+]2C[C@H](CO)[C@H](O)C2)sc2c1CCCCC2	ZINC000459717334	684449862	/nfs/dbraw/zinc/44/98/62/684449862.db2.gz	WWEPXCFYMMZXSM-IUODEOHRSA-N	1	0	363.483	1.502	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000460060585	684514462	/nfs/dbraw/zinc/51/44/62/684514462.db2.gz	NZORCCHCCFPVER-IYBDPMFKSA-N	1	0	351.491	1.369	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1	ZINC000462491854	684643508	/nfs/dbraw/zinc/64/35/08/684643508.db2.gz	SKVCOOFWWPJYJQ-DZGCQCFKSA-N	1	0	351.472	1.363	20	30		FDEDRO
Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]Cc1cccc(C#N)c1	ZINC000463277524	684681676	/nfs/dbraw/zinc/68/16/76/684681676.db2.gz	CSSVAULIDJQPMA-UHFFFAOYSA-N	1	0	352.441	1.097	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@H](NC(=O)NC)C1)C(C)C	ZINC000467806423	684877204	/nfs/dbraw/zinc/87/72/04/684877204.db2.gz	RPNYWDXMCZNPSY-HOTGVXAUSA-N	1	0	351.495	1.398	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCOC[C@H]1C[C@@H](C)O)C(C)C	ZINC000467807446	684877632	/nfs/dbraw/zinc/87/76/32/684877632.db2.gz	YEZLRXNZZDMZQP-KZNAEPCWSA-N	1	0	353.507	1.866	20	30		FDEDRO
C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C)c1nnnn1C	ZINC000468470421	684906770	/nfs/dbraw/zinc/90/67/70/684906770.db2.gz	PJNHYXKQYPJGIW-ZDUSSCGKSA-N	1	0	362.507	1.869	20	30		FDEDRO
CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)CC2(C#N)CCCCC2)CC1	ZINC000476335280	685710582	/nfs/dbraw/zinc/71/05/82/685710582.db2.gz	LEKUKSISTXMOJF-QGZVFWFLSA-N	1	0	370.563	1.653	20	30		FDEDRO
CC[NH+](CC)CCOCCNS(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000480723672	686214077	/nfs/dbraw/zinc/21/40/77/686214077.db2.gz	ANKINUSFEABASY-UHFFFAOYSA-N	1	0	357.451	1.475	20	30		FDEDRO
C=CC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)CC1CCCCC1	ZINC000484542110	686602130	/nfs/dbraw/zinc/60/21/30/686602130.db2.gz	KBSJGDHBQISVTP-UHFFFAOYSA-N	1	0	359.536	1.452	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](C)CC[C@H]2C)cc1	ZINC000498740507	687848028	/nfs/dbraw/zinc/84/80/28/687848028.db2.gz	SZLWPENSAXXLLB-CQSZACIVSA-N	1	0	351.472	1.317	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NCC[NH+]1CCC2(CCCCC2)CC1	ZINC000499693167	687979634	/nfs/dbraw/zinc/97/96/34/687979634.db2.gz	SFJAJMZBNMARFV-INIZCTEOSA-N	1	0	356.536	1.959	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@@H]1CCOC1	ZINC000500226104	688053728	/nfs/dbraw/zinc/05/37/28/688053728.db2.gz	OPUGPALJMNKNRT-ARFHVFGLSA-N	1	0	362.499	1.472	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCCSCC2)CC1	ZINC000503442532	688358934	/nfs/dbraw/zinc/35/89/34/688358934.db2.gz	KRNVWPQGVRXINW-OAHLLOKOSA-N	1	0	364.540	1.896	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1	ZINC000510521040	689388514	/nfs/dbraw/zinc/38/85/14/689388514.db2.gz	BSCFGJFWYFGUAW-SFHVURJKSA-N	1	0	362.499	1.675	20	30		FDEDRO
C=CCCS(=O)(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000511345070	689511503	/nfs/dbraw/zinc/51/15/03/689511503.db2.gz	QMNIRFVCCHRAGD-LJQANCHMSA-N	1	0	363.527	1.784	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000516678017	689980724	/nfs/dbraw/zinc/98/07/24/689980724.db2.gz	AMTQGHAOLSRPSA-UHFFFAOYSA-N	1	0	372.922	1.716	20	30		FDEDRO
C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)[C@@H]1CCC[NH2+]C1	ZINC000521624886	694416648	/nfs/dbraw/zinc/41/66/48/694416648.db2.gz	KPRWMDZARPBBMQ-ZYHUDNBSSA-N	1	0	372.288	1.987	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1	ZINC000525618664	694631206	/nfs/dbraw/zinc/63/12/06/694631206.db2.gz	ZKFOOCBKCXKYOY-UKRRQHHQSA-N	1	0	351.472	1.363	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@H]2CCCn3cc(C(F)(F)F)nc32)CC1	ZINC000528456607	694720710	/nfs/dbraw/zinc/72/07/10/694720710.db2.gz	PCRXFDNNTFVLJV-NSHDSACASA-N	1	0	355.364	1.883	20	30		FDEDRO
Cc1ccc(C[N@H+]2CC[C@@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C2)cc1	ZINC000601517608	695043063	/nfs/dbraw/zinc/04/30/63/695043063.db2.gz	BIJCNCIHYKNRMD-NVXWUHKLSA-N	1	0	350.488	1.638	20	30		FDEDRO
C=C[C@H](CO)[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC	ZINC000641771812	696217804	/nfs/dbraw/zinc/21/78/04/696217804.db2.gz	DDLOVOLGXMUCSD-GXFFZTMASA-N	1	0	357.248	1.599	20	30		FDEDRO
N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1C[C@@H]2C[NH2+]C[C@]2(CO)C1	ZINC001164403757	718850367	/nfs/dbraw/zinc/85/03/67/718850367.db2.gz	IJVKVWPVVMLOND-ISVAXAHUSA-N	1	0	363.195	1.823	20	30		FDEDRO
N#Cc1c(Cl)nccc1C(F)(F)N1CCCO[C@]2(C[NH2+]CCOC2)C1	ZINC001164419409	718913551	/nfs/dbraw/zinc/91/35/51/718913551.db2.gz	ADIPNLDOZHKXPZ-OAHLLOKOSA-N	1	0	372.803	1.737	20	30		FDEDRO
CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(Cl)ncc1C#N	ZINC001164617242	719014948	/nfs/dbraw/zinc/01/49/48/719014948.db2.gz	NMJSRPOVLMIJKS-JIMOISOXSA-N	1	0	370.787	1.881	20	30		FDEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(c1ncc(CC#N)cc1Cl)CC2	ZINC001164689520	719751467	/nfs/dbraw/zinc/75/14/67/719751467.db2.gz	GCUUXNNOURDEFR-UHFFFAOYSA-N	1	0	361.877	1.982	20	30		FDEDRO
Cc1nc(C#N)cnc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1	ZINC001164828887	720333347	/nfs/dbraw/zinc/33/33/47/720333347.db2.gz	KEVSNKDNEHWPHK-QZTJIDSGSA-N	1	0	368.485	1.568	20	30		FDEDRO
N#Cc1c[nH]c2ncnc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c12	ZINC001164732608	720549843	/nfs/dbraw/zinc/54/98/43/720549843.db2.gz	AANXPPIEELYGPJ-UHFFFAOYSA-N	1	0	362.441	1.685	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)c(F)cc3C#N)CC[C@H]2C1	ZINC001164850873	720832936	/nfs/dbraw/zinc/83/29/36/720832936.db2.gz	VLLZFSYJEZESOS-WFASDCNBSA-N	1	0	368.840	1.919	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc(Cl)c3C#N)CC[C@H]2C1	ZINC001164854323	720842484	/nfs/dbraw/zinc/84/24/84/720842484.db2.gz	REXONIMQLGMLIJ-GXTWGEPZSA-N	1	0	351.838	1.175	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3ncc4c(C#N)c[nH]c4n3)CC[C@H]2C1	ZINC001164862178	720868744	/nfs/dbraw/zinc/86/87/44/720868744.db2.gz	ZJVYCHLLDPRIDA-XJKSGUPXSA-N	1	0	356.430	1.003	20	30		FDEDRO
COc1nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)ncc1C#N	ZINC001164869467	721064524	/nfs/dbraw/zinc/06/45/24/721064524.db2.gz	SUMLABSTHUOWMW-DLBZAZTESA-N	1	0	366.425	1.232	20	30		FDEDRO
Cc1cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc(C#N)n1	ZINC001164865968	721099546	/nfs/dbraw/zinc/09/95/46/721099546.db2.gz	QNPTYFPXUGENKS-IRXDYDNUSA-N	1	0	350.426	1.531	20	30		FDEDRO
N#CCc1cncc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1	ZINC001164869714	721128147	/nfs/dbraw/zinc/12/81/47/721128147.db2.gz	ACPXCEYGMLHORE-ROUUACIJSA-N	1	0	350.426	1.417	20	30		FDEDRO
CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cncc(CC#N)n4)C3)O2)CC1	ZINC001164897338	721428381	/nfs/dbraw/zinc/42/83/81/721428381.db2.gz	SYORZKJHJLRPAK-QUCCMNQESA-N	1	0	370.501	1.308	20	30		FDEDRO
COc1ccnc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c1C#N	ZINC001165011151	721735854	/nfs/dbraw/zinc/73/58/54/721735854.db2.gz	NMSQCQAJQWYUIK-UHFFFAOYSA-N	1	0	357.458	1.485	20	30		FDEDRO
Cc1nc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)ccc1CC#N	ZINC001165009968	721745719	/nfs/dbraw/zinc/74/57/19/721745719.db2.gz	KKGGHWFBPREZFN-UHFFFAOYSA-N	1	0	355.486	1.979	20	30		FDEDRO
Cc1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cnc1C#N	ZINC001164979703	722135004	/nfs/dbraw/zinc/13/50/04/722135004.db2.gz	LUVFSCLWMFGCGK-HKUYNNGSSA-N	1	0	364.453	1.779	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cc(Cl)n(C)n2)C[C@H]1C	ZINC001104403373	782199794	/nfs/dbraw/zinc/19/97/94/782199794.db2.gz	HQHBCYPNWYVAIL-ZIAGYGMSSA-N	1	0	354.882	1.964	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccn3ccccc23)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104406829	782353052	/nfs/dbraw/zinc/35/30/52/782353052.db2.gz	LZNQVVIUYZQNRB-HZPDHXFCSA-N	1	0	367.453	1.267	20	30		FDEDRO
C=CCCSCCNC(=O)NCc1cccc(-n2cc(C[NH3+])nn2)c1	ZINC000892239190	782420509	/nfs/dbraw/zinc/42/05/09/782420509.db2.gz	OAJBYVZZBANTQW-UHFFFAOYSA-N	1	0	360.487	1.835	20	30		FDEDRO
C[C@H](C(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21)[NH+]1CCCCCC1	ZINC000972137410	782440506	/nfs/dbraw/zinc/44/05/06/782440506.db2.gz	GRKZYHYYZQYHPD-BHIYHBOVSA-N	1	0	357.498	1.724	20	30		FDEDRO
CN(CCCN1CC[NH+](C)CC1)C(=O)C1(c2cc(F)cc(C#N)c2)CC1	ZINC000511945022	805612857	/nfs/dbraw/zinc/61/28/57/805612857.db2.gz	UHBWQLTVHKEHIR-UHFFFAOYSA-N	1	0	358.461	1.825	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)C(C)C	ZINC000176662446	782560928	/nfs/dbraw/zinc/56/09/28/782560928.db2.gz	JVXCFMSAQGOZIC-NVXWUHKLSA-N	1	0	359.474	1.577	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)C[N@H+]4CCC[C@@H]4C)[C@@H]3C2)nc1	ZINC001022718255	782563037	/nfs/dbraw/zinc/56/30/37/782563037.db2.gz	TWHJZKQZHPCVAD-VDZJLULYSA-N	1	0	366.465	1.220	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CC(C)(C)CO2)C[C@H]1C	ZINC001104410965	782594022	/nfs/dbraw/zinc/59/40/22/782594022.db2.gz	JNDYYNYVXMTEIW-BRWVUGGUSA-N	1	0	365.518	1.568	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCC2(N3CCOCC3)CC2)cc1OC	ZINC000277579378	782727624	/nfs/dbraw/zinc/72/76/24/782727624.db2.gz	UKLVZLNTHAFTDQ-UHFFFAOYSA-N	1	0	362.474	1.015	20	30		FDEDRO
Cc1cc(NCC2(N3CCOCC3)CC[NH+](C)CC2)c(C#N)cc1[N+](=O)[O-]	ZINC000413485370	782770488	/nfs/dbraw/zinc/77/04/88/782770488.db2.gz	WCTXEKXDOJVFJQ-UHFFFAOYSA-N	1	0	373.457	1.983	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2c(C)nn(C)c2Cl)C1	ZINC001022735932	782801102	/nfs/dbraw/zinc/80/11/02/782801102.db2.gz	JNGWOHDAZDTWOU-COMQUAJESA-N	1	0	352.866	1.710	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCn2nc(C)nc2C)C1	ZINC000969692126	770658267	/nfs/dbraw/zinc/65/82/67/770658267.db2.gz	JWMYWWIBHDAGCA-VHSSKADRSA-N	1	0	361.490	1.313	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2nnc(C(F)F)s2)C1	ZINC001020604941	770982991	/nfs/dbraw/zinc/98/29/91/770982991.db2.gz	VQGDFVBTEMBHRK-DBIOUOCHSA-N	1	0	358.414	1.804	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)N2CCCCCC2)C1	ZINC001020605668	770988528	/nfs/dbraw/zinc/98/85/28/770988528.db2.gz	TXHCIPZWRKEIKM-TXTZMMAHSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1CCOC	ZINC000890661860	771001894	/nfs/dbraw/zinc/00/18/94/771001894.db2.gz	MOYBYLWDIFFOIA-MRXNPFEDSA-N	1	0	369.506	1.979	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCn2cc(Cl)cn2)C1	ZINC001020726178	771303258	/nfs/dbraw/zinc/30/32/58/771303258.db2.gz	CSHLARVXQYOJFL-VGWMRTNUSA-N	1	0	352.866	1.755	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)nc1	ZINC000535632884	771349034	/nfs/dbraw/zinc/34/90/34/771349034.db2.gz	SYTCHGZZIWKQRV-ROUUACIJSA-N	1	0	350.422	1.566	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)c4cccnc4)[C@@H]3C2)CC1	ZINC001020950057	771643857	/nfs/dbraw/zinc/64/38/57/771643857.db2.gz	OYHYIQQJNGOIIS-RBUKOAKNSA-N	1	0	366.465	1.100	20	30		FDEDRO
C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC001167215553	771747095	/nfs/dbraw/zinc/74/70/95/771747095.db2.gz	YUAFMQRWIXWRIP-CVEARBPZSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]Cc2cn(C(C)C)nn2)CC1	ZINC001167273834	771847684	/nfs/dbraw/zinc/84/76/84/771847684.db2.gz	DLADAQHKRXEALH-SJORKVTESA-N	1	0	361.490	1.826	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)N[C@H](C)C(C)C)CC1	ZINC001167273853	771847789	/nfs/dbraw/zinc/84/77/89/771847789.db2.gz	FICCZQGFUCDXLO-ZACQAIPSSA-N	1	0	365.518	1.614	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+][C@H](C)C(=O)NCCC)CC1	ZINC001167277683	771857254	/nfs/dbraw/zinc/85/72/54/771857254.db2.gz	PXLDSZKIBPAGMP-OAGGEKHMSA-N	1	0	351.491	1.368	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)C(C)(C)COC)C[C@H]2C)C1=O	ZINC001104417232	782971349	/nfs/dbraw/zinc/97/13/49/782971349.db2.gz	DWXBZTPOAMMLFM-BRWVUGGUSA-N	1	0	365.518	1.520	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(C)CC(C)(C)C[NH+](C)C)c1	ZINC000890886177	772029277	/nfs/dbraw/zinc/02/92/77/772029277.db2.gz	BUXJUAJQXTYRMW-UHFFFAOYSA-N	1	0	367.515	1.811	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC(F)(F)F)C[C@H]1c1ccccc1	ZINC001211548120	782992583	/nfs/dbraw/zinc/99/25/83/782992583.db2.gz	KAYVHIDQSLJLRK-LSDHHAIUSA-N	1	0	369.387	1.825	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccns2)C[C@H]1C	ZINC001104254026	772359717	/nfs/dbraw/zinc/35/97/17/772359717.db2.gz	PJEVYAJMSRUHHC-MGPQQGTHSA-N	1	0	350.488	1.522	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)[C@H](C[NH2+]Cc2cc(F)ccc2C#N)C1	ZINC001087214029	783013048	/nfs/dbraw/zinc/01/30/48/783013048.db2.gz	BRYGGSSNWVLCNH-IUHNQTRMSA-N	1	0	372.444	1.535	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2ccco2)CC1	ZINC001167295624	772441601	/nfs/dbraw/zinc/44/16/01/772441601.db2.gz	MOUYIIJGLKCYLK-ARFHVFGLSA-N	1	0	359.470	1.950	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1	ZINC000972253795	783029273	/nfs/dbraw/zinc/02/92/73/783029273.db2.gz	BIEIZFNVQVYFFZ-BRWVUGGUSA-N	1	0	363.502	1.226	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)C2(COC)CCOCC2)C[C@H]1C	ZINC001104267854	772642009	/nfs/dbraw/zinc/64/20/09/772642009.db2.gz	HADPYFBWRNHSDH-QZTJIDSGSA-N	1	0	366.502	1.154	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1C	ZINC001104273326	772710357	/nfs/dbraw/zinc/71/03/57/772710357.db2.gz	RVGRZSDTNSIVDQ-OWCLPIDISA-N	1	0	369.481	1.270	20	30		FDEDRO
CN1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1(C)C	ZINC000891008354	772815924	/nfs/dbraw/zinc/81/59/24/772815924.db2.gz	RFUGLNZTHMEFMU-UHFFFAOYSA-N	1	0	366.368	1.651	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1	ZINC000892268757	783066147	/nfs/dbraw/zinc/06/61/47/783066147.db2.gz	YXWYPNZSDBVIDC-QGZVFWFLSA-N	1	0	357.433	1.671	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)C=C4CCC4)[C@@H]3C2)CC1	ZINC001021370003	773074483	/nfs/dbraw/zinc/07/44/83/773074483.db2.gz	AMZNKXFOYZKFOD-RBUKOAKNSA-N	1	0	355.482	1.501	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1C[C@@H](C)[C@H](NC(=O)c2cc(Cl)no2)C1	ZINC001210491466	773119965	/nfs/dbraw/zinc/11/99/65/773119965.db2.gz	QSXXEYSWIAQFOB-CHWSQXEVSA-N	1	0	366.849	1.579	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)CC[NH+]4CCCCC4)C[C@H]32)[nH]1	ZINC001021414862	773255124	/nfs/dbraw/zinc/25/51/24/773255124.db2.gz	GAWCEFIXELAZKS-MAUKXSAKSA-N	1	0	369.469	1.435	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1c1ccccc1	ZINC001211550745	783108576	/nfs/dbraw/zinc/10/85/76/783108576.db2.gz	ZXKLBMUNACSQFZ-VQTJNVASSA-N	1	0	368.481	1.749	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cccn2CC=C)C[C@H]1C	ZINC001104293952	773876033	/nfs/dbraw/zinc/87/60/33/773876033.db2.gz	MTSNFQJFXVBKNH-IAGOWNOFSA-N	1	0	358.486	1.664	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cncc(-n3ccnn3)c1)C2	ZINC001112494843	773940748	/nfs/dbraw/zinc/94/07/48/773940748.db2.gz	XRGISNYFDXRMLE-LPHOPBHVSA-N	1	0	350.426	1.127	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21	ZINC001021642651	774339641	/nfs/dbraw/zinc/33/96/41/774339641.db2.gz	ITPMXLZADATZKX-CGTJXYLNSA-N	1	0	369.469	1.432	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c2ccccc2O1	ZINC000275917278	774502763	/nfs/dbraw/zinc/50/27/63/774502763.db2.gz	UCZCBEWTIHVETA-HNNXBMFYSA-N	1	0	358.442	1.494	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC1(C[NH2+][C@H]2CCCNC2=O)CC1	ZINC001167422430	774563159	/nfs/dbraw/zinc/56/31/59/774563159.db2.gz	PHXDNHXHDMZEJY-ULQDDVLXSA-N	1	0	363.502	1.512	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@]2(CC)CCNC2=O)C[C@H]1C	ZINC001104312843	774598646	/nfs/dbraw/zinc/59/86/46/774598646.db2.gz	VGDSZFNBFBACJP-MDZRGWNJSA-N	1	0	351.491	1.180	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CCS(=O)(=O)CC1	ZINC001087135968	774671643	/nfs/dbraw/zinc/67/16/43/774671643.db2.gz	GMXMZJNCPNENQL-YCPHGPKFSA-N	1	0	355.504	1.188	20	30		FDEDRO
CNC(=O)c1cccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@@H](C)C#N)c1	ZINC001087136590	774676884	/nfs/dbraw/zinc/67/68/84/774676884.db2.gz	ZXINJNDHOBFFJX-VKJFTORMSA-N	1	0	356.470	1.923	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC000275947708	774749652	/nfs/dbraw/zinc/74/96/52/774749652.db2.gz	QJRUGIRWIKDLBY-CVEARBPZSA-N	1	0	356.426	1.613	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1(C[NH2+][C@H](CCCC)C(N)=O)CC1	ZINC001167435133	774831892	/nfs/dbraw/zinc/83/18/92/774831892.db2.gz	JKTSSTBDMBCKRF-BBWFWOEESA-N	1	0	365.518	1.888	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCc2ncc(C)cc2C)CC1	ZINC000656311153	774898524	/nfs/dbraw/zinc/89/85/24/774898524.db2.gz	JXOMQUUGIYBSSL-UHFFFAOYSA-N	1	0	358.486	1.514	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnc3[nH]ccc3c2)C[C@H]1C	ZINC001104322457	774949228	/nfs/dbraw/zinc/94/92/28/774949228.db2.gz	LEHXHJJWGHEYJI-NVXWUHKLSA-N	1	0	354.454	1.852	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@@H]3C2)cn1	ZINC001021801360	775728022	/nfs/dbraw/zinc/72/80/22/775728022.db2.gz	JEFHWWQVGZFLIP-IWKCEXAMSA-N	1	0	366.465	1.076	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@@H]3C2)cc1	ZINC001021803076	775759024	/nfs/dbraw/zinc/75/90/24/775759024.db2.gz	QUTSVUYSJWYTET-XWPNQZOQSA-N	1	0	365.477	1.681	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccsn2)C[C@H]1C	ZINC001104338896	775807300	/nfs/dbraw/zinc/80/73/00/775807300.db2.gz	MWWVIVXJOHGFFU-MGPQQGTHSA-N	1	0	350.488	1.522	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cn(C)cn2)C1=O	ZINC001087149654	775936029	/nfs/dbraw/zinc/93/60/29/775936029.db2.gz	XSQMNTMYSDOTGQ-PMPSAXMXSA-N	1	0	359.474	1.037	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3nc(C4CC4)no3)[C@H]2C1	ZINC001083216373	775965699	/nfs/dbraw/zinc/96/56/99/775965699.db2.gz	XAHUJQFFZXEFIE-JKSUJKDBSA-N	1	0	360.458	1.757	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)n2cnc(C)c2)C[C@H]1C	ZINC001104345793	776039962	/nfs/dbraw/zinc/03/99/62/776039962.db2.gz	UCKUNQKJBPYYNO-SJLPKXTDSA-N	1	0	360.502	1.651	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC(=O)Nc3ccccc31)C2	ZINC001112503474	776147777	/nfs/dbraw/zinc/14/77/77/776147777.db2.gz	RVBFWNVTZHWRCR-WJPUGNRLSA-N	1	0	351.450	1.964	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CC1	ZINC000328771549	776216620	/nfs/dbraw/zinc/21/66/20/776216620.db2.gz	APMULROFXAWYMJ-UHFFFAOYSA-N	1	0	365.522	1.015	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CCO[C@@H]3CN(C/C=C\Cl)C[C@@H]32)cc1	ZINC001083217243	776459971	/nfs/dbraw/zinc/45/99/71/776459971.db2.gz	PAZPFAJOHZYHAL-IEVYTLJRSA-N	1	0	360.841	1.976	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CCO[C@@H]3C[N@@H+](C[C@@H](C)OC)C[C@@H]32)cc1	ZINC001083217455	776481064	/nfs/dbraw/zinc/48/10/64/776481064.db2.gz	ZJKOFJWJWIVCCK-AYOQOUSVSA-N	1	0	358.438	1.259	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@H](F)C(C)C)C[C@H]32)CC1	ZINC001021883991	776490333	/nfs/dbraw/zinc/49/03/33/776490333.db2.gz	QIAUDARQJIFDOC-RCCFBDPRSA-N	1	0	363.477	1.385	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@@H](C)C4CCC4)C[C@H]32)CC1	ZINC001021886566	776501694	/nfs/dbraw/zinc/50/16/94/776501694.db2.gz	FWIVWFKPRWNLLJ-FFZOFVMBSA-N	1	0	371.525	1.827	20	30		FDEDRO
C[C@H](C[C@H]1CCCO1)NC(=O)NCc1cccnc1N1CC[NH+](C)CC1	ZINC000328775388	776545877	/nfs/dbraw/zinc/54/58/77/776545877.db2.gz	SIFXMSKJSQQWKT-NVXWUHKLSA-N	1	0	361.490	1.795	20	30		FDEDRO
C=CCn1cc(C(=O)N2CCO[C@@H]3C[N@H+](CC4CC5(CCC5)C4)C[C@@H]32)nn1	ZINC001083217764	776592280	/nfs/dbraw/zinc/59/22/80/776592280.db2.gz	NHGKUGNRECVZHW-ZWKOTPCHSA-N	1	0	371.485	1.570	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cncnc2)C1=O	ZINC001087153846	776662429	/nfs/dbraw/zinc/66/24/29/776662429.db2.gz	QWEWFHHQCSFBDA-HYVNUMGLSA-N	1	0	357.458	1.094	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21	ZINC001021939336	776750704	/nfs/dbraw/zinc/75/07/04/776750704.db2.gz	HJFGZMPBDWCJBN-FUHWJXTLSA-N	1	0	370.497	1.831	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2nnn(C)c2C)C1	ZINC001075420060	776764288	/nfs/dbraw/zinc/76/42/88/776764288.db2.gz	LWHJDVBOCGOTQZ-SJLPKXTDSA-N	1	0	369.444	1.731	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1	ZINC001075420249	776804215	/nfs/dbraw/zinc/80/42/15/776804215.db2.gz	WEKYVCOOZAXULH-BHIYHBOVSA-N	1	0	371.456	1.649	20	30		FDEDRO
C=C(C)C[C@H](CO)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1	ZINC000891412361	776935986	/nfs/dbraw/zinc/93/59/86/776935986.db2.gz	KMTYQWWERJFBED-GOSISDBHSA-N	1	0	359.470	1.707	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)CCC1	ZINC000933300250	777041356	/nfs/dbraw/zinc/04/13/56/777041356.db2.gz	VXZDEMAQAXHEFS-UHFFFAOYSA-N	1	0	363.483	1.719	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)NCc2ccccc2CN2CCCC2=O)CCC1	ZINC000933302839	777058333	/nfs/dbraw/zinc/05/83/33/777058333.db2.gz	YKVOOVPBPJCHPP-UHFFFAOYSA-N	1	0	353.466	1.961	20	30		FDEDRO
C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)cc1	ZINC000160976721	777382567	/nfs/dbraw/zinc/38/25/67/777382567.db2.gz	HLKKRSJHAZYIBF-HNNXBMFYSA-N	1	0	365.433	1.765	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccncc2)C[C@H]1c1ccccc1	ZINC001211516735	777538236	/nfs/dbraw/zinc/53/82/36/777538236.db2.gz	FMNYBSWRBRRATA-RBUKOAKNSA-N	1	0	362.433	1.029	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@@H]([N@H+](C)Cc3ccc(C#N)s3)C2)C1	ZINC000971550488	777560826	/nfs/dbraw/zinc/56/08/26/777560826.db2.gz	WBPPLVHUHRGDAW-XJKCOSOUSA-N	1	0	360.483	1.567	20	30		FDEDRO
CCCC[C@](C)(F)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104365383	777775544	/nfs/dbraw/zinc/77/55/44/777775544.db2.gz	IIGYQDQOFYLLHK-RKVPGOIHSA-N	1	0	354.470	1.619	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)o1	ZINC000276520626	777892438	/nfs/dbraw/zinc/89/24/38/777892438.db2.gz	COTIHSNBIXVBJP-WBVHZDCISA-N	1	0	357.458	1.814	20	30		FDEDRO
COc1coc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)C#CC2CC2)cc1=O	ZINC001087164869	778117603	/nfs/dbraw/zinc/11/76/03/778117603.db2.gz	SNONLMJBZYRXAY-ZBFHGGJFSA-N	1	0	358.438	1.779	20	30		FDEDRO
C[C@]12C[NH2+]C[C@H]1CN(C(=O)NC1CCN(c3ccc(C#N)cn3)CC1)C2	ZINC000891499432	778147882	/nfs/dbraw/zinc/14/78/82/778147882.db2.gz	JFMJHFPMVAHDMS-HNAYVOBHSA-N	1	0	354.458	1.173	20	30		FDEDRO
CC1(C)C[NH2+]CC[C@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000891499963	778150903	/nfs/dbraw/zinc/15/09/03/778150903.db2.gz	UCBOVBNIVZWUSI-KRWDZBQOSA-N	1	0	370.501	1.999	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH+]1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2	ZINC000933459384	778184400	/nfs/dbraw/zinc/18/44/00/778184400.db2.gz	DHRKLZZQXXOEDR-OAHLLOKOSA-N	1	0	365.474	1.226	20	30		FDEDRO
CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CCCN2CC(=O)NCCC#N	ZINC000933505201	778281036	/nfs/dbraw/zinc/28/10/36/778281036.db2.gz	YACUCROCXVEHAG-KDOFPFPSSA-N	1	0	350.463	1.786	20	30		FDEDRO
C=CC[C@@H](NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccncc1	ZINC000891563212	778340225	/nfs/dbraw/zinc/34/02/25/778340225.db2.gz	AZQJMBNMYZVBSR-VQHPVUNQSA-N	1	0	371.441	1.275	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2(C)CCC2)C[C@H]1c1ccccc1	ZINC001211649018	790657517	/nfs/dbraw/zinc/65/75/17/790657517.db2.gz	RKEMMZMERBAIBT-NZSAHSFTSA-N	1	0	367.493	1.899	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)C(=C)C)C2	ZINC001112507628	778992856	/nfs/dbraw/zinc/99/28/56/778992856.db2.gz	SEXPCHWPGVWVPX-WWMYMODYSA-N	1	0	359.514	1.945	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3ccsc3)C2)C1=O	ZINC001022282197	779119396	/nfs/dbraw/zinc/11/93/96/779119396.db2.gz	RWAYWCMHIAOCNF-DMRKSPOLSA-N	1	0	359.495	1.875	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2cnn3c2C[C@H](CNC(C)=O)CC3)CC1	ZINC000276761916	779390070	/nfs/dbraw/zinc/39/00/70/779390070.db2.gz	AJMUGQMBBGIOOJ-MRXNPFEDSA-N	1	0	373.501	1.352	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1	ZINC000471871741	779466969	/nfs/dbraw/zinc/46/69/69/779466969.db2.gz	MSVOXKKADPQTNZ-ROUUACIJSA-N	1	0	358.486	1.670	20	30		FDEDRO
C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCC(C)(C)C#N)c2)CC1	ZINC000510641641	779482890	/nfs/dbraw/zinc/48/28/90/779482890.db2.gz	ZWMPUCTVQAJMMO-UHFFFAOYSA-N	1	0	357.458	1.038	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4cccc4)nc3)[C@H]2C1	ZINC001083226945	779614898	/nfs/dbraw/zinc/61/48/98/779614898.db2.gz	DLDOZDATZDLRND-ZWKOTPCHSA-N	1	0	350.422	1.421	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)NCC#C[C@H]3CCCCO3)ccn2)CC1	ZINC000891830089	779622089	/nfs/dbraw/zinc/62/20/89/779622089.db2.gz	MCPQMBJXWJMVLE-GOSISDBHSA-N	1	0	371.485	1.205	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)C(=O)Nc2ccccc2)C[C@H]1C	ZINC001104384976	779715227	/nfs/dbraw/zinc/71/52/27/779715227.db2.gz	SSPXDNJSBZWCNB-IAGOWNOFSA-N	1	0	357.454	1.349	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)CN(C)CC(=O)NC(C)C)C[C@H]1C	ZINC001104385018	779716447	/nfs/dbraw/zinc/71/64/47/779716447.db2.gz	WCZCGRCFXPXZMP-IAGOWNOFSA-N	1	0	352.523	1.093	20	30		FDEDRO
Cn1nccc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC001022471602	780486349	/nfs/dbraw/zinc/48/63/49/780486349.db2.gz	JONMRNXSUAYCCI-YYIAUSFCSA-N	1	0	367.428	1.971	20	30		FDEDRO
C[NH+](C)[C@H]1CCCN(CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1	ZINC000277056914	780691327	/nfs/dbraw/zinc/69/13/27/780691327.db2.gz	CVKRCIRCBWJCOF-HOCLYGCPSA-N	1	0	367.453	1.928	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)C(=O)NCC#C)C1	ZINC001112508361	781002790	/nfs/dbraw/zinc/00/27/90/781002790.db2.gz	BBLGRDYPCFEIQH-DXIQSLLYSA-N	1	0	371.525	1.926	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)C(F)(F)F)C2	ZINC001112509541	781055068	/nfs/dbraw/zinc/05/50/68/781055068.db2.gz	BWPBORJAHUPSBH-WWGRRREGSA-N	1	0	359.392	1.153	20	30		FDEDRO
CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@H+](CC(=O)N(CCC#N)CCC#N)[C@@H]1C	ZINC000934162635	781352889	/nfs/dbraw/zinc/35/28/89/781352889.db2.gz	NKEPATSQJNVHLB-YFHUEUNASA-N	1	0	362.474	1.940	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)[N@H+](C)C1	ZINC000329024163	781369579	/nfs/dbraw/zinc/36/95/79/781369579.db2.gz	NEOAXNXLMVTNNV-XIRDDKMYSA-N	1	0	366.506	1.137	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)n3cnc4ccccc43)[C@H]2C1	ZINC001083239229	781731660	/nfs/dbraw/zinc/73/16/60/781731660.db2.gz	ZOAVSUDFUQZCRL-AYOQOUSVSA-N	1	0	352.438	1.532	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C	ZINC000892283081	783365939	/nfs/dbraw/zinc/36/59/39/783365939.db2.gz	FCASXCKSRZKXRA-AWEZNQCLSA-N	1	0	363.421	1.938	20	30		FDEDRO
C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000892286074	783407230	/nfs/dbraw/zinc/40/72/30/783407230.db2.gz	YXAUBRVYMUEPLD-CYBMUJFWSA-N	1	0	367.384	1.768	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1	ZINC001022828132	783511304	/nfs/dbraw/zinc/51/13/04/783511304.db2.gz	XPOLVFRXPGOHSK-RDGPPVDQSA-N	1	0	371.481	1.894	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1c1ccccc1	ZINC001211629315	783720955	/nfs/dbraw/zinc/72/09/55/783720955.db2.gz	KEJGNGKATVDTAS-ZWKOTPCHSA-N	1	0	354.454	1.009	20	30		FDEDRO
C=CCOCCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000658210313	783741444	/nfs/dbraw/zinc/74/14/44/783741444.db2.gz	PVLSLTFJTVPEHE-INIZCTEOSA-N	1	0	368.499	1.951	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3ccc(OC)o3)C[C@H]21	ZINC000972835027	783902694	/nfs/dbraw/zinc/90/26/94/783902694.db2.gz	LGHNSDCLDUZJGZ-OWCLPIDISA-N	1	0	371.437	1.059	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)c(F)c1	ZINC001024157737	784031693	/nfs/dbraw/zinc/03/16/93/784031693.db2.gz	GQMATKHAIITZNR-IMJJTQAJSA-N	1	0	358.417	1.147	20	30		FDEDRO
C=CCCC1(CNC(=O)C(=O)N2CCN(CCOCC)CC2)CCCC1	ZINC000658459196	784080083	/nfs/dbraw/zinc/08/00/83/784080083.db2.gz	DTZXMCYMPQEMBE-UHFFFAOYSA-N	1	0	365.518	1.810	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3OC)CC2)C1	ZINC000658620598	784690792	/nfs/dbraw/zinc/69/07/92/784690792.db2.gz	SBXWQVWNYLUSCE-INIZCTEOSA-N	1	0	372.469	1.554	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C(=O)c1ccccc1)C2	ZINC001112521702	784866264	/nfs/dbraw/zinc/86/62/64/784866264.db2.gz	HQDIYDLRNHEAQI-RXVVDRJESA-N	1	0	353.466	1.610	20	30		FDEDRO
C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	ZINC001024509702	784975856	/nfs/dbraw/zinc/97/58/56/784975856.db2.gz	XYPKMKNEUXEVQN-MCIONIFRSA-N	1	0	350.381	1.880	20	30		FDEDRO
COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2cc(C#N)n(C)c2)C1	ZINC000364501045	785077542	/nfs/dbraw/zinc/07/75/42/785077542.db2.gz	BQPHMRKSFCDZHH-HNNXBMFYSA-N	1	0	370.457	1.376	20	30		FDEDRO
C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	ZINC001024572129	785304049	/nfs/dbraw/zinc/30/40/49/785304049.db2.gz	OJEPCMNYNPHHJJ-QRVBRYPASA-N	1	0	365.518	1.413	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccccc4F)[C@@H]3C2)C1=O	ZINC001075500462	785314510	/nfs/dbraw/zinc/31/45/10/785314510.db2.gz	GOZAEKJWWRGAMJ-JCGIZDLHSA-N	1	0	357.429	1.759	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)cc1	ZINC001024656509	785635681	/nfs/dbraw/zinc/63/56/81/785635681.db2.gz	MIJMRVJHBQYVHC-JQHSSLGASA-N	1	0	370.453	1.181	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)[C@H]2C1	ZINC001083271605	785835042	/nfs/dbraw/zinc/83/50/42/785835042.db2.gz	RSINDJWSKTVQFT-BPQIPLTHSA-N	1	0	361.486	1.265	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CCCC[C@H]1c1nc(-c2ncccn2)no1	ZINC000376153235	786021442	/nfs/dbraw/zinc/02/14/42/786021442.db2.gz	YBFJYNAYWDDXQF-AWEZNQCLSA-N	1	0	369.429	1.816	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(C(N)=O)cc3)C[C@H]21	ZINC000978709604	805683231	/nfs/dbraw/zinc/68/32/31/805683231.db2.gz	ARSCFOIZLMVTAL-QQXKLLMISA-N	1	0	369.465	1.171	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)NCc3nc(C#N)cs3)CC2)CC1	ZINC000892521949	786727664	/nfs/dbraw/zinc/72/76/64/786727664.db2.gz	KFCNWBMNQXDYBJ-UHFFFAOYSA-N	1	0	362.503	1.373	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1	ZINC000947251458	787014073	/nfs/dbraw/zinc/01/40/73/787014073.db2.gz	NIHMGHKZDSQBKQ-BBWFWOEESA-N	1	0	351.491	1.415	20	30		FDEDRO
C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1	ZINC000662080371	805772976	/nfs/dbraw/zinc/77/29/76/805772976.db2.gz	PBHMTDXBLARQQC-CALCHBBNSA-N	1	0	362.518	1.228	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)n1	ZINC000376380654	787521777	/nfs/dbraw/zinc/52/17/77/787521777.db2.gz	BMYHSLWPTACIAM-QGZVFWFLSA-N	1	0	367.457	1.014	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cnnn3CC)C[C@H]21	ZINC000978827176	805802316	/nfs/dbraw/zinc/80/23/16/805802316.db2.gz	JJKOYXANKIBDDX-TXTZMMAHSA-N	1	0	359.474	1.073	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1	ZINC000892606404	787647735	/nfs/dbraw/zinc/64/77/35/787647735.db2.gz	GQXXGGXLMKHIIX-ACHSLPGTSA-N	1	0	354.458	1.315	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCOCC2)C1	ZINC001104552778	787744811	/nfs/dbraw/zinc/74/48/11/787744811.db2.gz	OLSKDAHELKKYCB-QZTJIDSGSA-N	1	0	363.502	1.113	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N[C@H](C)C[NH2+]C)cc1	ZINC000659112523	788059709	/nfs/dbraw/zinc/05/97/09/788059709.db2.gz	QYMRHNTVNDALLB-CQSZACIVSA-N	1	0	358.442	1.163	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnc3n2CCCC3)C[C@H]1C	ZINC001104580479	788601145	/nfs/dbraw/zinc/60/11/45/788601145.db2.gz	ZRNGYUXSGYZUKW-IAGOWNOFSA-N	1	0	358.486	1.557	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3nc(C4CC4)nn3C)[C@H]2C1	ZINC001083279666	788626423	/nfs/dbraw/zinc/62/64/23/788626423.db2.gz	KEKHHZIQHIYYAG-JKSUJKDBSA-N	1	0	359.474	1.113	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1	ZINC000973368124	788794686	/nfs/dbraw/zinc/79/46/86/788794686.db2.gz	MGIPKHPIJRZTHU-ZKXLYKBJSA-N	1	0	363.502	1.319	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](Cc2c[nH]cn2)NC(C)=O)C[C@H]1C	ZINC001104619685	788921518	/nfs/dbraw/zinc/92/15/18/788921518.db2.gz	LDPCDQMRQHYRSO-KYJSFNMBSA-N	1	0	361.490	1.107	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc3ncn(C)c3n1)C2	ZINC001112528819	805920100	/nfs/dbraw/zinc/92/01/00/805920100.db2.gz	RVAOZUDSVGFIHO-YWZLYKJASA-N	1	0	351.454	1.824	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)Cc3c(C)nn(C)c3C)[C@H]2C1	ZINC001083280473	788998228	/nfs/dbraw/zinc/99/82/28/788998228.db2.gz	SQSTXWDUTDIBSM-ZOCIIQOWSA-N	1	0	360.502	1.703	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C2)CCC1	ZINC001104639801	789111452	/nfs/dbraw/zinc/11/14/52/789111452.db2.gz	WWBDJPVJDBWGFA-HZPDHXFCSA-N	1	0	356.532	1.852	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cccc(-n3cncn3)c2)C[C@H]1C	ZINC001104659040	789180719	/nfs/dbraw/zinc/18/07/19/789180719.db2.gz	AXUGQOAVIARGFJ-SJLPKXTDSA-N	1	0	351.454	1.978	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(C)C)C2)c1	ZINC001104659080	789180889	/nfs/dbraw/zinc/18/08/89/789180889.db2.gz	BTFTUWPAMFASAA-NVXWUHKLSA-N	1	0	356.470	1.275	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N[C@H](C)CC)C2)c1	ZINC001104659584	789181915	/nfs/dbraw/zinc/18/19/15/789181915.db2.gz	PRPYQIDCZFHXQR-JFIYKMOQSA-N	1	0	370.497	1.665	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C[C@H]1c1ccccc1	ZINC001211646682	789231013	/nfs/dbraw/zinc/23/10/13/789231013.db2.gz	GBGIMLZGPAYIGV-KSZLIROESA-N	1	0	356.470	1.560	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2(CF)CCOCC2)C[C@H]1C	ZINC001104681647	789345703	/nfs/dbraw/zinc/34/57/03/789345703.db2.gz	MHGLRUJJUJGEMU-HZPDHXFCSA-N	1	0	369.481	1.129	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ncc(C)cn2)C1	ZINC001104704199	789552864	/nfs/dbraw/zinc/55/28/64/789552864.db2.gz	LSJDBBRRRAFKEG-TVFCKZIOSA-N	1	0	358.486	1.950	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccco2)C[C@H]1C	ZINC001104707401	789579214	/nfs/dbraw/zinc/57/92/14/789579214.db2.gz	GASHASKYEFZICF-QBPKDAKJSA-N	1	0	359.470	1.760	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccco2)C[C@H]1C	ZINC001104708467	789580019	/nfs/dbraw/zinc/58/00/19/789580019.db2.gz	WMTXOGIAKYNKHW-QBPKDAKJSA-N	1	0	357.454	1.207	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CCNC(=O)N2CCO[C@@](C)(C#N)C2)cc1	ZINC000892809216	791304991	/nfs/dbraw/zinc/30/49/91/791304991.db2.gz	KTAZLDVGCDRHIU-IBGZPJMESA-N	1	0	360.458	1.494	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)C2(N3CCOCC3)CCCC2)C[C@H]1C	ZINC001104745315	791311596	/nfs/dbraw/zinc/31/15/96/791311596.db2.gz	KAHZOGSUEWUWGX-RTBURBONSA-N	1	0	361.530	1.729	20	30		FDEDRO
N#Cc1ccc(OC2CN(C(=O)C(=O)Nc3ccc4c(c3)C[NH2+]C4)C2)cc1	ZINC000415155808	791518572	/nfs/dbraw/zinc/51/85/72/791518572.db2.gz	AFKTWTISUKBJDQ-UHFFFAOYSA-N	1	0	362.389	1.390	20	30		FDEDRO
C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000377336427	791573901	/nfs/dbraw/zinc/57/39/01/791573901.db2.gz	UTZFNNBFQOFSTM-YOEHRIQHSA-N	1	0	352.438	1.533	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)/C=C/c2ccco2)C[C@H]1C(F)(F)F	ZINC001112035543	792241388	/nfs/dbraw/zinc/24/13/88/792241388.db2.gz	HBNYMFKJNQBZLK-WLBISTCBSA-N	1	0	356.344	1.922	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)cc1	ZINC000415424994	792244657	/nfs/dbraw/zinc/24/46/57/792244657.db2.gz	JZLCMJQKEVZYAL-OAHLLOKOSA-N	1	0	361.446	1.422	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC[C@H]1[NH3+]	ZINC000415462210	792310165	/nfs/dbraw/zinc/31/01/65/792310165.db2.gz	OSYIWAKTWPQMKX-DNVCBOLYSA-N	1	0	362.433	1.616	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)NC[C@H]([NH3+])C2CC2)c(C#N)cn1CCOC	ZINC000415495772	792369780	/nfs/dbraw/zinc/36/97/80/792369780.db2.gz	RMNPRSRTUJSGCS-ZDUSSCGKSA-N	1	0	363.418	1.042	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)[C@@H](C)C[NH2+]1	ZINC000415565952	792538057	/nfs/dbraw/zinc/53/80/57/792538057.db2.gz	PJDLNWQCOUZOIA-NEPJUHHUSA-N	1	0	369.450	1.829	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1	ZINC000415575100	792571983	/nfs/dbraw/zinc/57/19/83/792571983.db2.gz	PFKTXZKXIZMKQN-NVXWUHKLSA-N	1	0	362.433	1.616	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1cc(F)cc(C#N)c1)CCO2	ZINC000867452278	806167718	/nfs/dbraw/zinc/16/77/18/806167718.db2.gz	CTHSWROOIUNMEM-UHFFFAOYSA-N	1	0	353.419	1.183	20	30		FDEDRO
C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1	ZINC000415587094	792609766	/nfs/dbraw/zinc/60/97/66/792609766.db2.gz	YSJFVSYMKGILQE-ZJUUUORDSA-N	1	0	370.331	1.591	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000377734172	792672516	/nfs/dbraw/zinc/67/25/16/792672516.db2.gz	HATJQSHSBNERPV-HXUWFJFHSA-N	1	0	372.513	1.791	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000415623431	792714653	/nfs/dbraw/zinc/71/46/53/792714653.db2.gz	MKGSBKZMOGOSMQ-BEFAXECRSA-N	1	0	362.433	1.534	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1	ZINC000377765321	792751957	/nfs/dbraw/zinc/75/19/57/792751957.db2.gz	UVXGDSKERDASSD-JKSUJKDBSA-N	1	0	364.490	1.937	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1	ZINC000415659356	792766879	/nfs/dbraw/zinc/76/68/79/792766879.db2.gz	MSRSGDRHFZCKQH-UHFFFAOYSA-N	1	0	366.421	1.883	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1	ZINC000377780788	792770658	/nfs/dbraw/zinc/77/06/58/792770658.db2.gz	YWCIRSJHFMCVSX-OWCLPIDISA-N	1	0	364.490	1.936	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C	ZINC000415676793	792798550	/nfs/dbraw/zinc/79/85/50/792798550.db2.gz	NJMRYXDEVMBCND-AWEZNQCLSA-N	1	0	359.474	1.948	20	30		FDEDRO
CC#CCN1C[C@H]2OCCN(C(=O)c3ccc(C[NH+](CC)CC)o3)[C@H]2C1	ZINC001083288818	792915735	/nfs/dbraw/zinc/91/57/35/792915735.db2.gz	BKTCFIZQOFYFBM-PKOBYXMFSA-N	1	0	359.470	1.670	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1	ZINC000415769412	792968405	/nfs/dbraw/zinc/96/84/05/792968405.db2.gz	XEGVLDTZYDVMOD-MRXNPFEDSA-N	1	0	370.453	1.744	20	30		FDEDRO
CCCc1c(NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH3+])cnn1-c1cccc(C#N)c1	ZINC000415776586	792973252	/nfs/dbraw/zinc/97/32/52/792973252.db2.gz	AYQQMEFBGCAYAD-CHWSQXEVSA-N	1	0	368.441	1.487	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NCCC[C@@H]2CCC[NH2+]2)c1	ZINC000415810631	793039420	/nfs/dbraw/zinc/03/94/20/793039420.db2.gz	XRNQRQYLGKZIHX-LBPRGKRZSA-N	1	0	366.368	1.747	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(=O)N3CCCCC3)C[C@H]21	ZINC001026054958	793045645	/nfs/dbraw/zinc/04/56/45/793045645.db2.gz	OWAHGDUTILVPOF-ZXLDYLNASA-N	1	0	361.486	1.025	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3csc(COC)n3)[C@H]2C1	ZINC001083290005	793306902	/nfs/dbraw/zinc/30/69/02/793306902.db2.gz	BKQOSSHYXGWSGF-LSDHHAIUSA-N	1	0	351.472	1.781	20	30		FDEDRO
COc1cc(CNC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)ccc1C#N	ZINC000415957393	793423851	/nfs/dbraw/zinc/42/38/51/793423851.db2.gz	ULWMEWCQYKUAOD-UHFFFAOYSA-N	1	0	367.413	1.088	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccon2)C1	ZINC001104757938	793482510	/nfs/dbraw/zinc/48/25/10/793482510.db2.gz	VHIWEBWLJHFWRJ-KYJSFNMBSA-N	1	0	362.474	1.720	20	30		FDEDRO
N#Cc1ccc(F)c(CN2C[C@H]3OCCN(C(=O)Cn4ccnc4)[C@H]3C2)c1	ZINC001083290983	793501643	/nfs/dbraw/zinc/50/16/43/793501643.db2.gz	IASPWMAYBMWNSY-ZWKOTPCHSA-N	1	0	369.400	1.006	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2COCCN2C)C1	ZINC001087425589	806259412	/nfs/dbraw/zinc/25/94/12/806259412.db2.gz	FYGOGCSSQUTTPA-VAMGGRTRSA-N	1	0	357.498	1.867	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCCO2)C[C@H]1C(F)(F)F	ZINC001112050011	793659461	/nfs/dbraw/zinc/65/94/61/793659461.db2.gz	MYERQVNCVWLUOZ-RRFJBIMHSA-N	1	0	362.392	1.574	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]CC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C	ZINC001104810387	793815569	/nfs/dbraw/zinc/81/55/69/793815569.db2.gz	PDKAALIXEDAGJT-UKRRQHHQSA-N	1	0	368.441	1.573	20	30		FDEDRO
N#CCSCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCC2CC2)C1	ZINC001112053080	793875595	/nfs/dbraw/zinc/87/55/95/793875595.db2.gz	QTHQENSJHFPWHV-CHWSQXEVSA-N	1	0	365.421	1.649	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1C	ZINC001104824691	793928880	/nfs/dbraw/zinc/92/88/80/793928880.db2.gz	FNPCFXCGUODBOT-IAGOWNOFSA-N	1	0	371.485	1.365	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cc(C)nc3c2cnn3C)C[C@H]1C	ZINC001104839086	793989723	/nfs/dbraw/zinc/98/97/23/793989723.db2.gz	KBNQJEDKHVOAGS-GDBMZVCRSA-N	1	0	353.470	1.988	20	30		FDEDRO
C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCCC(=O)Nc1ccccc1C#N	ZINC000416317581	794026822	/nfs/dbraw/zinc/02/68/22/794026822.db2.gz	XAWUEJHZACVYKM-HOTGVXAUSA-N	1	0	372.469	1.581	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)COCc2ncnn2C)C[C@H]1C	ZINC001104856786	794090488	/nfs/dbraw/zinc/09/04/88/794090488.db2.gz	FMASIDQAYNQQDW-TZMCWYRMSA-N	1	0	355.870	1.158	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2Cn2cccn2)CC1	ZINC000378425979	794112950	/nfs/dbraw/zinc/11/29/50/794112950.db2.gz	GQCKCROAKJRSRQ-RTBURBONSA-N	1	0	372.517	1.430	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)NCC#C[C@H]2CCCCO2)CC1	ZINC000893238103	794143563	/nfs/dbraw/zinc/14/35/63/794143563.db2.gz	LKABBGZXSVICRB-ZWKOTPCHSA-N	1	0	350.507	1.132	20	30		FDEDRO
C[C@@H]1COCC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000378445986	794145684	/nfs/dbraw/zinc/14/56/84/794145684.db2.gz	VZNNHIVRXWUXES-LPHOPBHVSA-N	1	0	374.460	1.503	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1	ZINC000378450384	794162320	/nfs/dbraw/zinc/16/23/20/794162320.db2.gz	IDEJPLCZYKPZEO-GDBMZVCRSA-N	1	0	356.426	1.448	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCCN2C(N)=O)C[C@H]1C	ZINC001104896461	794277613	/nfs/dbraw/zinc/27/76/13/794277613.db2.gz	ZXRWWDUZUDBGCF-BRWVUGGUSA-N	1	0	350.507	1.960	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)c2cccnc2)C[C@H]1C	ZINC001104919760	794382744	/nfs/dbraw/zinc/38/27/44/794382744.db2.gz	AWLVDTNZEUBKDW-JFIYKMOQSA-N	1	0	356.470	1.009	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CCNCc3nc(C)no3)C2)nc1	ZINC001104923807	794418862	/nfs/dbraw/zinc/41/88/62/794418862.db2.gz	XZMLYQHZADVPST-CZUORRHYSA-N	1	0	353.426	1.642	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnn(C)c3)C2)cn1	ZINC001104927827	794436756	/nfs/dbraw/zinc/43/67/56/794436756.db2.gz	WTACFQDKYQBUMD-CRAIPNDOSA-N	1	0	351.454	1.684	20	30		FDEDRO
C#CCCCNC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C	ZINC000173517787	794438465	/nfs/dbraw/zinc/43/84/65/794438465.db2.gz	SAHQWIIRUBDBLY-UHFFFAOYSA-N	1	0	356.470	1.605	20	30		FDEDRO
COc1ccccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104941066	794497393	/nfs/dbraw/zinc/49/73/93/794497393.db2.gz	OGNXWJYBOUXTFL-HUUCEWRRSA-N	1	0	358.442	1.023	20	30		FDEDRO
N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O	ZINC000416677254	794526431	/nfs/dbraw/zinc/52/64/31/794526431.db2.gz	DHDUMOHOZCRSMQ-ROUUACIJSA-N	1	0	369.469	1.575	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)Cc2ccc(OC)cc2)C[C@H]1C	ZINC001104947035	794531331	/nfs/dbraw/zinc/53/13/31/794531331.db2.gz	GYXNZNVPCVHESR-IEBWSBKVSA-N	1	0	358.482	1.962	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104955027	794554930	/nfs/dbraw/zinc/55/49/30/794554930.db2.gz	FSVSUINNTQRIGO-CHWSQXEVSA-N	1	0	358.433	1.382	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2ccc(F)cc2)C[C@H]1C	ZINC001104968527	794626311	/nfs/dbraw/zinc/62/63/11/794626311.db2.gz	HXQWTMHFSPXARP-NVXWUHKLSA-N	1	0	361.461	1.745	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H](O)COCC(C)C)C1	ZINC001112068003	794632982	/nfs/dbraw/zinc/63/29/82/794632982.db2.gz	DPUBXKWNLLWFBY-RRFJBIMHSA-N	1	0	366.424	1.965	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1	ZINC000974188229	794674823	/nfs/dbraw/zinc/67/48/23/794674823.db2.gz	NHBQQNRVDGHANI-WKULXVSPSA-N	1	0	363.502	1.605	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2)C[C@H]1C	ZINC001104973353	794678120	/nfs/dbraw/zinc/67/81/20/794678120.db2.gz	MOFBZEFFGXGHDI-KZNAEPCWSA-N	1	0	371.481	1.278	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)C[C@H]1C	ZINC001104978003	794711639	/nfs/dbraw/zinc/71/16/39/794711639.db2.gz	GIHPHPUIULJHHU-DGCLKSJQSA-N	1	0	370.881	1.144	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CN(C)c3cncc(C#N)n3)C2)CC[N@@H+]1C	ZINC001058708314	794760832	/nfs/dbraw/zinc/76/08/32/794760832.db2.gz	IBORPRAJGREUIQ-HLLBOEOZSA-N	1	0	356.474	1.363	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H](CN(C)c3ccc(C#N)nc3)C2)CC[N@@H+]1C	ZINC001058708663	794774748	/nfs/dbraw/zinc/77/47/48/794774748.db2.gz	RIBHJSPHXOQNSI-GPMSIDNRSA-N	1	0	355.486	1.968	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1	ZINC000974226150	794825566	/nfs/dbraw/zinc/82/55/66/794825566.db2.gz	NOHTYXOMJMRHHH-RZFLPCETSA-N	1	0	363.502	1.604	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1CCNCc1nnn(C)n1	ZINC001105044767	795051395	/nfs/dbraw/zinc/05/13/95/795051395.db2.gz	ARBNCXRINSOMCE-SJLPKXTDSA-N	1	0	366.469	1.226	20	30		FDEDRO
C=C[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2C)C1)c1ccccc1	ZINC001105050717	795067149	/nfs/dbraw/zinc/06/71/49/795067149.db2.gz	VSEKXNVLEPUUGJ-KBAYOESNSA-N	1	0	368.485	1.754	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N[C@H](C)CC)C1	ZINC001105085396	795195744	/nfs/dbraw/zinc/19/57/44/795195744.db2.gz	OBMXRIWYYQXZKY-BRWVUGGUSA-N	1	0	353.507	1.568	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNC(=O)NC(C)C)C1	ZINC001105090055	795232904	/nfs/dbraw/zinc/23/29/04/795232904.db2.gz	HADSDFTVOHBHPY-IAGOWNOFSA-N	1	0	368.522	1.361	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCn2nc(C)nc2C)C1	ZINC001105090051	795232927	/nfs/dbraw/zinc/23/29/27/795232927.db2.gz	GWNVGGWQYQLVER-RVKKMQEKSA-N	1	0	363.506	1.560	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)Nc2ccon2)C1	ZINC001105090973	795238144	/nfs/dbraw/zinc/23/81/44/795238144.db2.gz	OSKUODWOEVNEGT-QLFBSQMISA-N	1	0	364.446	1.278	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)c(OC)c1	ZINC000278828569	795301451	/nfs/dbraw/zinc/30/14/51/795301451.db2.gz	IFMULHAKJZMJCZ-OXQOHEQNSA-N	1	0	360.454	1.375	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+]	ZINC000417594585	795315111	/nfs/dbraw/zinc/31/51/11/795315111.db2.gz	JARAWXSHSUVGEL-QGZVFWFLSA-N	1	0	374.485	1.781	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCCO2)C[C@H]1C	ZINC001105111861	795323952	/nfs/dbraw/zinc/32/39/52/795323952.db2.gz	UDWPQLACTHBYRZ-KURKYZTESA-N	1	0	365.518	1.712	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@@H]3CCC[C@@H]([NH3+])C3)C2=O)cc1	ZINC000417987964	795448019	/nfs/dbraw/zinc/44/80/19/795448019.db2.gz	GSDLIQHUHDIUSD-NUJGCVRESA-N	1	0	369.469	1.870	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCC([NH2+]CCc2cnn(C)c2)CC1	ZINC001026496117	795456326	/nfs/dbraw/zinc/45/63/26/795456326.db2.gz	LUESJKYACCZFBH-GMNCBBECSA-N	1	0	360.502	1.961	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CCCF)nn2)C1	ZINC001105242608	795526826	/nfs/dbraw/zinc/52/68/26/795526826.db2.gz	BOLJFICYUGSRLS-CVEARBPZSA-N	1	0	351.426	1.092	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CCC(C)C)nn2)C1	ZINC001105242815	795531610	/nfs/dbraw/zinc/53/16/10/795531610.db2.gz	JWNPBMCBQCAKPU-MSOLQXFVSA-N	1	0	361.490	1.778	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1	ZINC000931190026	795807187	/nfs/dbraw/zinc/80/71/87/795807187.db2.gz	DXZGSXQLRKDTLI-INIZCTEOSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1	ZINC000979791870	806457444	/nfs/dbraw/zinc/45/74/44/806457444.db2.gz	PHFKCLPQPQXISR-ATIWLJMLSA-N	1	0	363.502	1.320	20	30		FDEDRO
N#Cc1ccc(CSCC(=O)NCC(=O)NCC[NH+]2CCCCC2)cc1	ZINC000909326963	795960333	/nfs/dbraw/zinc/96/03/33/795960333.db2.gz	SHQNZHLPIMNUGY-UHFFFAOYSA-N	1	0	374.510	1.510	20	30		FDEDRO
C=C(C)Cn1c(-c2ncon2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C	ZINC000909331794	796080596	/nfs/dbraw/zinc/08/05/96/796080596.db2.gz	PFIGNDIHZOUNPK-CQSZACIVSA-N	1	0	373.461	1.594	20	30		FDEDRO
CC(C)C[C@H](NC(=O)COc1cccc(C#N)c1)C(=O)NCC[NH+](C)C	ZINC000759904415	796096803	/nfs/dbraw/zinc/09/68/03/796096803.db2.gz	QCADERHPHREQSW-KRWDZBQOSA-N	1	0	360.458	1.146	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCn3c(C)ncc3C1)C2	ZINC001112530082	806540684	/nfs/dbraw/zinc/54/06/84/806540684.db2.gz	CDXGLJMKOVLOBR-WFXMLNOXSA-N	1	0	354.498	1.996	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1	ZINC000979855152	806562351	/nfs/dbraw/zinc/56/23/51/806562351.db2.gz	DHFKKPLEIRKXOA-VQHPVUNQSA-N	1	0	361.486	1.074	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1	ZINC000979857142	806566474	/nfs/dbraw/zinc/56/64/74/806566474.db2.gz	NTOBDXDGBLNWMA-DKIMLUQUSA-N	1	0	363.502	1.320	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1	ZINC000979856946	806566501	/nfs/dbraw/zinc/56/65/01/806566501.db2.gz	RCOQBYJABBZUQJ-TXTZMMAHSA-N	1	0	363.502	1.320	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1	ZINC000979911018	806600038	/nfs/dbraw/zinc/60/00/38/806600038.db2.gz	AVJDLLCDPKXBKO-DZVNLGKHSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCN(C(=O)c3cccc(OC)c3)CC2)CCC[NH2+]1	ZINC000662494088	806772406	/nfs/dbraw/zinc/77/24/06/806772406.db2.gz	VZEIPJWTUCSCIZ-HXUWFJFHSA-N	1	0	357.454	1.678	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)CC2(C)C)C1	ZINC000974593278	799895416	/nfs/dbraw/zinc/89/54/16/799895416.db2.gz	JJHJASWRSFRFKP-ZTFGCOKTSA-N	1	0	368.481	1.800	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ncnn2C(C)C)C1	ZINC001026849962	800016932	/nfs/dbraw/zinc/01/69/32/800016932.db2.gz	KIUZLCANSKSUDL-ZACQAIPSSA-N	1	0	361.490	1.778	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)C4([NH+](C)C)CCC4)C[C@H]32)nc1	ZINC000974679794	800060399	/nfs/dbraw/zinc/06/03/99/800060399.db2.gz	NJDWQKQUBNGNLA-SJLPKXTDSA-N	1	0	366.465	1.220	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]21	ZINC000974695716	800110930	/nfs/dbraw/zinc/11/09/30/800110930.db2.gz	YXXGMGDEYIGIID-VAMGGRTRSA-N	1	0	365.477	1.221	20	30		FDEDRO
C=CC[C@]1(C(=O)N[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CCC[NH2+]1	ZINC000662516857	806812362	/nfs/dbraw/zinc/81/23/62/806812362.db2.gz	HSZKXXBBRXWZTR-RDTXWAMCSA-N	1	0	365.499	1.812	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C(C)(C)C4CC4)[C@@H]3C2)CC1	ZINC000974841224	800386313	/nfs/dbraw/zinc/38/63/13/800386313.db2.gz	BXCSVFRQYZJFRC-IEBWSBKVSA-N	1	0	371.525	1.827	20	30		FDEDRO
C=CC[C@]1(C(=O)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)CCC[NH2+]1	ZINC000662566713	806847059	/nfs/dbraw/zinc/84/70/59/806847059.db2.gz	QDRBXPGGDGCKAE-RDTXWAMCSA-N	1	0	365.499	1.812	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@](C)(C=C)CC)[C@@H]3C2)CC1	ZINC000975016299	800738872	/nfs/dbraw/zinc/73/88/72/800738872.db2.gz	CMSWTAHFTQFDTA-WOIUINJBSA-N	1	0	371.525	1.993	20	30		FDEDRO
CC1(C)CN(Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)C1	ZINC000975051399	800832501	/nfs/dbraw/zinc/83/25/01/800832501.db2.gz	WWIPQLJPYNIDDI-RVKKMQEKSA-N	1	0	368.481	1.786	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cccc(C(N)=O)c2)C1	ZINC001027116537	801008596	/nfs/dbraw/zinc/00/85/96/801008596.db2.gz	DKVWJXAMMCSGIM-WDSOQIARSA-N	1	0	371.481	1.705	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC(=O)N(CC)C2)C1	ZINC001087429185	806883258	/nfs/dbraw/zinc/88/32/58/806883258.db2.gz	XGLKUOFMQBTDHJ-VAMGGRTRSA-N	1	0	367.493	1.852	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000975332215	801186832	/nfs/dbraw/zinc/18/68/32/801186832.db2.gz	MYKUDQDMMFVYHF-FFZOFVMBSA-N	1	0	371.525	1.733	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)C(C)(C)F)C[C@@H]32)CC1	ZINC000975469444	801357929	/nfs/dbraw/zinc/35/79/29/801357929.db2.gz	ZRUQLLIAWZKLSN-RDJZCZTQSA-N	1	0	363.477	1.529	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1	ZINC000975556805	801499350	/nfs/dbraw/zinc/49/93/50/801499350.db2.gz	VAPSEATUJXTBMK-JQHSSLGASA-N	1	0	363.502	1.274	20	30		FDEDRO
C=CC[C@@]1(C(=O)NC[C@H](CO)Cc2cc(OC)cc(OC)c2)CCC[NH2+]1	ZINC000662647479	806922966	/nfs/dbraw/zinc/92/29/66/806922966.db2.gz	VNTRCERAYIYDFQ-UZLBHIALSA-N	1	0	362.470	1.669	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]21	ZINC000975615708	801669439	/nfs/dbraw/zinc/66/94/39/801669439.db2.gz	CEAUWKZOZDYJDO-SCTDSRPQSA-N	1	0	370.497	1.831	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1	ZINC000660865390	801868268	/nfs/dbraw/zinc/86/82/68/801868268.db2.gz	TYHHKTUYPQIQAS-QZTJIDSGSA-N	1	0	350.507	1.391	20	30		FDEDRO
C[N@H+](CC(=O)N1CC[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]21)C1CCC1	ZINC000975671122	801905105	/nfs/dbraw/zinc/90/51/05/801905105.db2.gz	QWLVCDVAQZAWRP-KSSFIOAISA-N	1	0	369.469	1.434	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@H]3C2)cn1	ZINC000975836833	802554334	/nfs/dbraw/zinc/55/43/34/802554334.db2.gz	NVXSMPOAZPNDJT-WDYCEAGBSA-N	1	0	366.465	1.078	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1	ZINC000975854816	802580731	/nfs/dbraw/zinc/58/07/31/802580731.db2.gz	DONGSKONYPRYGK-ZACQAIPSSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCS(C)(=O)=O)C1	ZINC001211664124	802737022	/nfs/dbraw/zinc/73/70/22/802737022.db2.gz	PKMDQJGYPDVIDR-ZWKOTPCHSA-N	1	0	364.511	1.972	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC000661116402	802753708	/nfs/dbraw/zinc/75/37/08/802753708.db2.gz	JSXKOXFOKGDLJN-CABCVRRESA-N	1	0	359.474	1.548	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](Cn3ccnn3)C2)c(OC)c1	ZINC000661149619	802844252	/nfs/dbraw/zinc/84/42/52/802844252.db2.gz	XKTFBFWOSDRCMR-ZWKOTPCHSA-N	1	0	372.469	1.777	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C	ZINC000976413138	803335284	/nfs/dbraw/zinc/33/52/84/803335284.db2.gz	NEDKYXAKZQGICU-AQNXPRMDSA-N	1	0	367.493	1.848	20	30		FDEDRO
C=CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1	ZINC000661380758	803413446	/nfs/dbraw/zinc/41/34/46/803413446.db2.gz	OZGLRQMKKKQJOX-ZIAGYGMSSA-N	1	0	351.472	1.949	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC000976540070	803492921	/nfs/dbraw/zinc/49/29/21/803492921.db2.gz	XPSMLWRIJPZNGF-JFIYKMOQSA-N	1	0	371.485	1.918	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(C#N)c2)C1	ZINC000976555653	803517286	/nfs/dbraw/zinc/51/72/86/803517286.db2.gz	KFBSWNJCZBFNOJ-IAOVAPTHSA-N	1	0	357.458	1.385	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1	ZINC000423129275	814968513	/nfs/dbraw/zinc/96/85/13/814968513.db2.gz	QYSBGAZCPGGUMW-MSOLQXFVSA-N	1	0	354.454	1.507	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)Cc2ccco2)CC1	ZINC000976815131	803944578	/nfs/dbraw/zinc/94/45/78/803944578.db2.gz	FIRJWNGDYTZLHV-RTBURBONSA-N	1	0	371.481	1.711	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1c1ccccc1	ZINC001211669133	803971507	/nfs/dbraw/zinc/97/15/07/803971507.db2.gz	KBYULUZDAZCKNR-DOTOQJQBSA-N	1	0	356.401	1.396	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1	ZINC000423173007	814987558	/nfs/dbraw/zinc/98/75/58/814987558.db2.gz	WLORLAILFDQRJO-HNNXBMFYSA-N	1	0	359.470	1.796	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1	ZINC000423173275	814987614	/nfs/dbraw/zinc/98/76/14/814987614.db2.gz	XUGWTZFEKOUHBD-UHOSZYNNSA-N	1	0	371.481	1.796	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCCC[N@H+]2C)nc1	ZINC000976922052	804098427	/nfs/dbraw/zinc/09/84/27/804098427.db2.gz	WNZMMNXLJWLCEU-ZHALLVOQSA-N	1	0	368.481	1.704	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1	ZINC000423187814	814995009	/nfs/dbraw/zinc/99/50/09/814995009.db2.gz	MVXHUFSMCITXQW-UHFFFAOYSA-N	1	0	366.465	1.675	20	30		FDEDRO
C=CCN(Cc1ccccc1F)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1	ZINC000423190428	814995350	/nfs/dbraw/zinc/99/53/50/814995350.db2.gz	SGEOFAFIDNAFPO-QILLFSRXSA-N	1	0	359.445	1.926	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C23CC[NH+](CC2)C3)c1	ZINC000976990980	804250158	/nfs/dbraw/zinc/25/01/58/804250158.db2.gz	INHRCTZNEYBTCB-QZTJIDSGSA-N	1	0	366.465	1.316	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CN2CCCC2=O)C1	ZINC001087421268	804277609	/nfs/dbraw/zinc/27/76/09/804277609.db2.gz	WEZMYCKFYFDODD-RTBURBONSA-N	1	0	353.466	1.606	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@]13C[C@@H]1CCCC3)C2	ZINC001112525716	804399573	/nfs/dbraw/zinc/39/95/73/804399573.db2.gz	DRMQRANKHQQOSR-FVCZOJIISA-N	1	0	358.486	1.425	20	30		FDEDRO
COC[C@@H](OC)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#Cc2ccccc2)C1	ZINC001112526655	804813686	/nfs/dbraw/zinc/81/36/86/804813686.db2.gz	RDRAXURZYQWLRE-VWPQPMDRSA-N	1	0	370.493	1.918	20	30		FDEDRO
C[C@]1(C#N)CN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCO1	ZINC000893509781	804846576	/nfs/dbraw/zinc/84/65/76/804846576.db2.gz	XPXVVQJWTMCDOU-SFHVURJKSA-N	1	0	364.490	1.593	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]2CN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)cn1	ZINC000977805710	804968849	/nfs/dbraw/zinc/96/88/49/804968849.db2.gz	HZAZHBIDMPXLRP-CEXWTWQISA-N	1	0	368.481	1.466	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1	ZINC000977925360	805059636	/nfs/dbraw/zinc/05/96/36/805059636.db2.gz	WQTFGNQMWRRJLV-ARFHVFGLSA-N	1	0	367.453	1.874	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)C(F)F)C2	ZINC001112527316	805164029	/nfs/dbraw/zinc/16/40/29/805164029.db2.gz	YALBNHSGSLBXBH-UGSOOPFHSA-N	1	0	357.445	1.798	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@H]21	ZINC000978170435	805267645	/nfs/dbraw/zinc/26/76/45/805267645.db2.gz	WAMKKMJLVAPAQB-QQXKLLMISA-N	1	0	371.481	1.161	20	30		FDEDRO
CC(C)C[C@@H](CNC(=O)NCC(=O)NCC#N)[NH2+][C@@H](C)c1ccccc1	ZINC000511907544	805288510	/nfs/dbraw/zinc/28/85/10/805288510.db2.gz	SPNAUJLRQGPBRY-RDJZCZTQSA-N	1	0	359.474	1.691	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1nnc3c1CCCC3)C2	ZINC001112531156	806993110	/nfs/dbraw/zinc/99/31/10/806993110.db2.gz	IWRJAQMXBAYVRX-JXFKEZNVSA-N	1	0	357.502	1.951	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1	ZINC001087430469	807055913	/nfs/dbraw/zinc/05/59/13/807055913.db2.gz	RHBVXOVLZQLUKU-GUDVDZBRSA-N	1	0	353.466	1.653	20	30		FDEDRO
C=CCOCCCNC(=O)NC[C@@H](c1cccs1)N1CCN(C)CC1	ZINC000663449502	807057352	/nfs/dbraw/zinc/05/73/52/807057352.db2.gz	CZNFBEKELUWAJD-INIZCTEOSA-N	1	0	366.531	1.929	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1	ZINC000423517193	815108944	/nfs/dbraw/zinc/10/89/44/815108944.db2.gz	BFRKSJPSAIIYBB-NQYYFHDYSA-N	1	0	368.481	1.871	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)nc1	ZINC000981052625	807496357	/nfs/dbraw/zinc/49/63/57/807496357.db2.gz	WFCVOVMWMWSOAC-LZLYRXPVSA-N	1	0	354.454	1.172	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)C2CC2)cc1	ZINC000423573010	815141882	/nfs/dbraw/zinc/14/18/82/815141882.db2.gz	QPKNEXJBIHAOCV-SJORKVTESA-N	1	0	352.438	1.117	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)[nH]1	ZINC000981412678	808028553	/nfs/dbraw/zinc/02/85/53/808028553.db2.gz	TZBSMYBDKSINFH-YSVLISHTSA-N	1	0	369.469	1.243	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3c[nH]nc3C)C2)CC1	ZINC000981544946	808115990	/nfs/dbraw/zinc/11/59/90/808115990.db2.gz	XXWKZFFNBQHCAP-DOTOQJQBSA-N	1	0	371.485	1.078	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1	ZINC000981549202	808133980	/nfs/dbraw/zinc/13/39/80/808133980.db2.gz	QVSCEYNCDMYZDS-LESCRADOSA-N	1	0	371.485	1.775	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@H]3CCCC[N@H+]3C)C2)c1	ZINC000981686271	808342078	/nfs/dbraw/zinc/34/20/78/808342078.db2.gz	HGWUTYHFULVVTH-QXAKKESOSA-N	1	0	368.481	1.562	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCC2(C)CC2)C[C@H]1c1ccccc1	ZINC001211700665	808397510	/nfs/dbraw/zinc/39/75/10/808397510.db2.gz	NUEKWSPHACYIEN-RBUKOAKNSA-N	1	0	367.493	1.900	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CC2(C1)CCC[N@H+](Cc1cccc(C#N)c1)C2	ZINC000981820600	808555570	/nfs/dbraw/zinc/55/55/70/808555570.db2.gz	FVEYSCWUINHVQO-LPHOPBHVSA-N	1	0	369.465	1.787	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(C(=O)NC)cc1	ZINC001028143140	808647713	/nfs/dbraw/zinc/64/77/13/808647713.db2.gz	ZGCSRLZICHMMPG-QRVBRYPASA-N	1	0	371.481	1.718	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc2nonc2c1	ZINC001028147358	808697803	/nfs/dbraw/zinc/69/78/03/808697803.db2.gz	VTEATTBGMODZNH-RKVPGOIHSA-N	1	0	356.426	1.895	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1C	ZINC000504403044	815235300	/nfs/dbraw/zinc/23/53/00/815235300.db2.gz	HFYYULHPOWZBNI-UWWQBHOKSA-N	1	0	369.469	1.836	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000279323297	808921443	/nfs/dbraw/zinc/92/14/43/808921443.db2.gz	PFYGAECCNNNPNS-CYBMUJFWSA-N	1	0	374.416	1.348	20	30		FDEDRO
C#CC(C)(C)N(C)CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O	ZINC000279341617	808937738	/nfs/dbraw/zinc/93/77/38/808937738.db2.gz	UTOQJVWCAQWSIE-HXUWFJFHSA-N	1	0	370.453	1.305	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1	ZINC001087437390	808952104	/nfs/dbraw/zinc/95/21/04/808952104.db2.gz	POQHUEDDFHKSRP-AKHDSKFASA-N	1	0	371.481	1.570	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3C[NH2+]CCC3(F)F)CC2)c(F)c1	ZINC000418748755	809182244	/nfs/dbraw/zinc/18/22/44/809182244.db2.gz	LGAPUIYUZNWQFH-OAHLLOKOSA-N	1	0	367.375	1.526	20	30		FDEDRO
CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCSCc1ccccc1C#N	ZINC000418914419	809309763	/nfs/dbraw/zinc/30/97/63/809309763.db2.gz	FLFFPUBHICTUNJ-QGZVFWFLSA-N	1	0	374.510	1.508	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)Cn2ccnc2C)C[C@H]1c1ccccc1	ZINC001211723311	809315760	/nfs/dbraw/zinc/31/57/60/809315760.db2.gz	SREPGHWGNVTOOE-VQTJNVASSA-N	1	0	368.481	1.978	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)c1	ZINC000419078780	809537948	/nfs/dbraw/zinc/53/79/48/809537948.db2.gz	LOZRQKCLQNVWQA-MSOLQXFVSA-N	1	0	354.454	1.555	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC[NH2+]1	ZINC000419123239	809577398	/nfs/dbraw/zinc/57/73/98/809577398.db2.gz	XYSUADDTEIMSNY-DOMZBBRYSA-N	1	0	367.371	1.430	20	30		FDEDRO
C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCO[C@@](C)(C#N)C2)CC1	ZINC000893782090	809733039	/nfs/dbraw/zinc/73/30/39/809733039.db2.gz	BPMFDBYHJZRBQB-KXBFYZLASA-N	1	0	357.458	1.931	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc(C(N)=O)n2)C[C@H]1c1ccccc1	ZINC001211732410	809773465	/nfs/dbraw/zinc/77/34/65/809773465.db2.gz	FYKWVKMEAQBWDM-QFBILLFUSA-N	1	0	364.449	1.954	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O	ZINC000424168577	815322227	/nfs/dbraw/zinc/32/22/27/815322227.db2.gz	IONFJBCWVKGWEE-CVEARBPZSA-N	1	0	364.396	1.593	20	30		FDEDRO
C[NH+]=C(NCc1ccn(C2CCCC2)n1)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000261691339	809845672	/nfs/dbraw/zinc/84/56/72/809845672.db2.gz	INDKBUIBBIARMT-KRWDZBQOSA-N	1	0	374.533	1.728	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)=[NH+]C1CCCCC1	ZINC000261694015	809866161	/nfs/dbraw/zinc/86/61/61/809866161.db2.gz	SFGUIGIYVZKPBX-CGTJXYLNSA-N	1	0	362.518	1.900	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1)C1CC1	ZINC000473438345	809886375	/nfs/dbraw/zinc/88/63/75/809886375.db2.gz	OHEQWFONKCBCIW-ROUUACIJSA-N	1	0	354.454	1.506	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCOCCO)C1	ZINC001211733676	809890911	/nfs/dbraw/zinc/89/09/11/809890911.db2.gz	BSTKIBXAMSEHFW-RBUKOAKNSA-N	1	0	362.470	1.172	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1	ZINC001167912211	809898596	/nfs/dbraw/zinc/89/85/96/809898596.db2.gz	BXLHIMKHSPMULU-FHLIZLRMSA-N	1	0	357.454	1.033	20	30		FDEDRO
CN(C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCC[N@H+](C)C1	ZINC000894098284	809934206	/nfs/dbraw/zinc/93/42/06/809934206.db2.gz	GFGZTFWGFRAJEC-MSOLQXFVSA-N	1	0	369.469	1.789	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000894098582	809941665	/nfs/dbraw/zinc/94/16/65/809941665.db2.gz	IYSPKWYPOIQGLA-QAPCUYQASA-N	1	0	369.469	1.837	20	30		FDEDRO
C=C(CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccccc1	ZINC000512676192	810043391	/nfs/dbraw/zinc/04/33/91/810043391.db2.gz	AMACGJOZCMKGNK-UHFFFAOYSA-N	1	0	356.470	1.649	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cnn(C)c2N)C1	ZINC001087454832	810053475	/nfs/dbraw/zinc/05/34/75/810053475.db2.gz	LWYBGTROSKUFLU-SJLPKXTDSA-N	1	0	369.444	1.753	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cn2nccn2)C1	ZINC001087455930	810071948	/nfs/dbraw/zinc/07/19/48/810071948.db2.gz	VWNSMIUSUGBMRI-QZTJIDSGSA-N	1	0	355.417	1.415	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)C[C@H]1C(F)(F)F	ZINC001112122351	810104454	/nfs/dbraw/zinc/10/44/54/810104454.db2.gz	ISKWHZCJMOCZDU-MGPQQGTHSA-N	1	0	361.408	1.800	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2[nH]nnc2C)C1	ZINC001087457201	810182415	/nfs/dbraw/zinc/18/24/15/810182415.db2.gz	NKGIDWGANLFZKB-IAGOWNOFSA-N	1	0	355.417	1.863	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NCCC[NH2+]Cc1cccnc1)c1ccc(C#N)cc1	ZINC000419291435	810327467	/nfs/dbraw/zinc/32/74/67/810327467.db2.gz	SAFIYABBYGUGLR-OAHLLOKOSA-N	1	0	365.437	1.427	20	30		FDEDRO
C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1=O	ZINC000433339515	810445420	/nfs/dbraw/zinc/44/54/20/810445420.db2.gz	AHIAGUFDYPZWPY-ZTFGCOKTSA-N	1	0	364.453	1.958	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)CN2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)c1	ZINC000419334061	810507264	/nfs/dbraw/zinc/50/72/64/810507264.db2.gz	UYVZVTCSYCZYCL-OALUTQOASA-N	1	0	372.513	1.937	20	30		FDEDRO
C=CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cn2cncn2)C1	ZINC001087459979	810563879	/nfs/dbraw/zinc/56/38/79/810563879.db2.gz	IKIDTRJYPFHKEA-QZTJIDSGSA-N	1	0	357.433	1.968	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCn2nc(C)nc2C)C1	ZINC001028548585	810615457	/nfs/dbraw/zinc/61/54/57/810615457.db2.gz	CJELGPIVBHHNJP-KSZLIROESA-N	1	0	361.490	1.314	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(Cc3cc(F)ccc3C#N)C2)CC[N@@H+]1C	ZINC001028549842	810618303	/nfs/dbraw/zinc/61/83/03/810618303.db2.gz	BLAAGUOIOCMMSW-SPYBWZPUSA-N	1	0	358.461	1.976	20	30		FDEDRO
C[C@H]1CC2(CN1C(=O)C(=O)NCC#Cc1cccc(F)c1)CC[NH2+]CC2	ZINC000424520098	815385242	/nfs/dbraw/zinc/38/52/42/815385242.db2.gz	KEJFPCRRJJPMIV-HNNXBMFYSA-N	1	0	357.429	1.284	20	30		FDEDRO
C=CCCn1cc(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)nn1	ZINC000424567181	815393409	/nfs/dbraw/zinc/39/34/09/815393409.db2.gz	RYZSEGCHHWUEQJ-UHFFFAOYSA-N	1	0	368.485	1.402	20	30		FDEDRO
CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(C)n1)c1ccco1	ZINC000453645785	810868137	/nfs/dbraw/zinc/86/81/37/810868137.db2.gz	YNAWWRGUENKIKP-HNNXBMFYSA-N	1	0	369.425	1.993	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@H+](CCCN4CCCC4=O)C[C@H]32)c1	ZINC001075659892	810904241	/nfs/dbraw/zinc/90/42/41/810904241.db2.gz	UHIOSGJYIAKUKT-DOTOQJQBSA-N	1	0	355.442	1.045	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCC3(F)F)C[C@@H]2O)c1	ZINC001083390208	811176338	/nfs/dbraw/zinc/17/63/38/811176338.db2.gz	GWPWBKYHOKJLST-YUELXQCFSA-N	1	0	352.385	1.487	20	30		FDEDRO
C[C@H](c1ccc2c(c1)CCC2)[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1	ZINC001083392596	811207334	/nfs/dbraw/zinc/20/73/34/811207334.db2.gz	QDZZXKSXXPQZPU-GBLZOACLSA-N	1	0	364.449	1.911	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N1CCN(C(=O)c2ccco2)CC1	ZINC000261719335	811304706	/nfs/dbraw/zinc/30/47/06/811304706.db2.gz	WLJSLZDZWMPOBN-USXIJHARSA-N	1	0	372.469	1.570	20	30		FDEDRO
C[NH+]=C(NCc1cn2ccc(C)cc2n1)N1CCO[C@@H](c2cnn(C)c2)C1	ZINC000261817741	811325784	/nfs/dbraw/zinc/32/57/84/811325784.db2.gz	UBPXZJMGLJEXEC-QGZVFWFLSA-N	1	0	367.457	1.525	20	30		FDEDRO
C=CCNC(NCc1nnc(C)n1C)=[NH+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2	ZINC000261978971	811359713	/nfs/dbraw/zinc/35/97/13/811359713.db2.gz	OLHDIKOHYVIGKZ-USXIJHARSA-N	1	0	358.490	1.692	20	30		FDEDRO
Cc1nnc(CNC(=[NH+]C2CC2)N2CCN(c3ccccc3)CC2)n1C	ZINC000262001907	811365187	/nfs/dbraw/zinc/36/51/87/811365187.db2.gz	UOCSBFZCJWFFKD-UHFFFAOYSA-N	1	0	353.474	1.554	20	30		FDEDRO
CN(C)C(=O)C[NH+]=C(NCc1cccs1)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000262305585	811436873	/nfs/dbraw/zinc/43/68/73/811436873.db2.gz	OOIQERFPDXKGCW-CQSZACIVSA-N	1	0	374.514	1.505	20	30		FDEDRO
C[NH+]=C(NCC(=O)N1CCc2ccccc21)N1CC[C@H](c2cnn(C)c2)C1	ZINC000262306820	811437334	/nfs/dbraw/zinc/43/73/34/811437334.db2.gz	ATAUSTXPQGHORI-INIZCTEOSA-N	1	0	366.469	1.374	20	30		FDEDRO
[NH2+]=C(NCc1ccccc1OC(F)F)N1CCN(c2ncccn2)CC1	ZINC000262303584	811437344	/nfs/dbraw/zinc/43/73/44/811437344.db2.gz	ODAYQISYTYVOFJ-UHFFFAOYSA-N	1	0	362.384	1.715	20	30		FDEDRO
Cc1cccc([C@@H]2CCN(C(NCC(=O)N(C)C)=[NH+]C3CCOCC3)C2)c1	ZINC000262345618	811446393	/nfs/dbraw/zinc/44/63/93/811446393.db2.gz	XWMCJGGTGLZSIJ-GOSISDBHSA-N	1	0	372.513	1.997	20	30		FDEDRO
CC(=O)N1CCN(C(NCc2ccc([N+](=O)[O-])cc2)=[NH+]CC(C)C)CC1	ZINC000262520959	811482797	/nfs/dbraw/zinc/48/27/97/811482797.db2.gz	DXMUODXDGSYGSL-UHFFFAOYSA-N	1	0	361.446	1.861	20	30		FDEDRO
[NH2+]=C(NCC1(c2cccc(F)c2)CC1)N1CCN(c2ncccn2)CC1	ZINC000262543749	811487630	/nfs/dbraw/zinc/48/76/30/811487630.db2.gz	UBZREBWTXAUXNP-UHFFFAOYSA-N	1	0	354.433	1.784	20	30		FDEDRO
[NH2+]=C(NCCOc1ccc(F)c(F)c1)N1CCN(c2ncccn2)CC1	ZINC000262544335	811487712	/nfs/dbraw/zinc/48/77/12/811487712.db2.gz	UMHXRABAINUIJD-UHFFFAOYSA-N	1	0	362.384	1.271	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C#N)Cc3ccc(C#N)cc3)C2)CC1	ZINC000280143999	811725601	/nfs/dbraw/zinc/72/56/01/811725601.db2.gz	AHGVGFWLGIBNHO-VQTJNVASSA-N	1	0	365.481	1.479	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NCC2(C#N)CCC2)CC1	ZINC000419507550	811987987	/nfs/dbraw/zinc/98/79/87/811987987.db2.gz	YTOKBMDAUOMRNF-UHFFFAOYSA-N	1	0	363.506	1.606	20	30		FDEDRO
C=C(Br)C[NH2+]CC[C@@H]1CN(C(=O)CC(=O)NCC)C[C@H]1C	ZINC001104095685	812030606	/nfs/dbraw/zinc/03/06/06/812030606.db2.gz	FUNIKUVFTISBBJ-DGCLKSJQSA-N	1	0	360.296	1.495	20	30		FDEDRO
C[NH2+]CCCNC(=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1	ZINC000419653465	812060938	/nfs/dbraw/zinc/06/09/38/812060938.db2.gz	WJISFSRCSUVGGF-UHFFFAOYSA-N	1	0	350.422	1.567	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1	ZINC000419801668	812197455	/nfs/dbraw/zinc/19/74/55/812197455.db2.gz	BLRUEMHOMITTGM-UHFFFAOYSA-N	1	0	370.331	1.606	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCCNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C[C@H](C)O1	ZINC000280762256	812221127	/nfs/dbraw/zinc/22/11/27/812221127.db2.gz	ISPRFUAIVOHHEY-FCEWJHQRSA-N	1	0	354.454	1.856	20	30		FDEDRO
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)NC1CCC([NH3+])CC1	ZINC000419868787	812265242	/nfs/dbraw/zinc/26/52/42/812265242.db2.gz	JAYSHWSDYNREJL-ZGUYJTEBSA-N	1	0	354.454	1.671	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N(Cc1ccc(C#N)cc1)C1CC1)[C@H]1CCC[NH2+]C1	ZINC000419899428	812280833	/nfs/dbraw/zinc/28/08/33/812280833.db2.gz	RUZMGGTXKWZGEE-PBHICJAKSA-N	1	0	354.454	1.554	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)cc2C1=O	ZINC000434420197	815563931	/nfs/dbraw/zinc/56/39/31/815563931.db2.gz	DTGZYFZMYNOQSH-HNNXBMFYSA-N	1	0	371.437	1.045	20	30		FDEDRO
CC[N@H+](CCNC(=O)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O)C(C)C	ZINC000514003789	815569097	/nfs/dbraw/zinc/56/90/97/815569097.db2.gz	VEZHFXGTGYHKFA-FOIQADDNSA-N	1	0	369.469	1.772	20	30		FDEDRO
CCCC[N@H+](C)CCNC(=O)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000514026090	815571168	/nfs/dbraw/zinc/57/11/68/815571168.db2.gz	CPRUCGFSITYXIY-QRWLVFNGSA-N	1	0	369.469	1.773	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1	ZINC000420002328	813393075	/nfs/dbraw/zinc/39/30/75/813393075.db2.gz	RCHYYAKLUZFJCD-KURKYZTESA-N	1	0	354.454	1.543	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])CC2)cc1	ZINC000420065302	813448631	/nfs/dbraw/zinc/44/86/31/813448631.db2.gz	PMCVEUGVLACBDT-MOPGFXCFSA-N	1	0	366.465	1.808	20	30		FDEDRO
C[C@@]1(CNC(=O)C(=O)N(Cc2ccc(C#N)cc2)C2CC2)CCC[NH2+]C1	ZINC000420109529	813465465	/nfs/dbraw/zinc/46/54/65/813465465.db2.gz	VJEZHEYUCJZYCX-HXUWFJFHSA-N	1	0	354.454	1.555	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)NCC1=CC[NH2+]CC1	ZINC000420134508	813472107	/nfs/dbraw/zinc/47/21/07/813472107.db2.gz	FJDRIKLUTNNVAV-MSOLQXFVSA-N	1	0	352.438	1.321	20	30		FDEDRO
CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N(Cc1ccc(C#N)cc1)C1CC1	ZINC000420175036	813513547	/nfs/dbraw/zinc/51/35/47/813513547.db2.gz	ZPDSMYQKNQCCLX-GOSISDBHSA-N	1	0	368.481	1.944	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)CC2)cc1	ZINC000420191203	813542300	/nfs/dbraw/zinc/54/23/00/813542300.db2.gz	HKLNLFUNWDNSJF-CRAIPNDOSA-N	1	0	352.438	1.418	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1	ZINC000501597972	813545117	/nfs/dbraw/zinc/54/51/17/813545117.db2.gz	MIBSVAZSTRCJSQ-KSZLIROESA-N	1	0	363.502	1.465	20	30		FDEDRO
CC(C)(CC#N)CNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1	ZINC000420838085	813824290	/nfs/dbraw/zinc/82/42/90/813824290.db2.gz	CMJYTJMAHZCSNW-KRWDZBQOSA-N	1	0	356.470	1.996	20	30		FDEDRO
CC(C)(CC#N)CNC(=O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1	ZINC000420981734	813891391	/nfs/dbraw/zinc/89/13/91/813891391.db2.gz	NRGHIEXXUAWQSX-UHFFFAOYSA-N	1	0	356.470	1.955	20	30		FDEDRO
N#Cc1cccc(CCNC(=O)N2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)c1	ZINC000366978740	814201560	/nfs/dbraw/zinc/20/15/60/814201560.db2.gz	BHKQIMAFBXUZDP-OALUTQOASA-N	1	0	356.470	1.731	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCCC2)N[C@H](C)Cc1c(C)nn(C)c1C	ZINC000261844481	814217758	/nfs/dbraw/zinc/21/77/58/814217758.db2.gz	XBLMJQQFHDWONJ-GFCCVEGCSA-N	1	0	358.494	1.261	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H]2CCC[C@@H]2C(=O)NC)cc1	ZINC000502833657	814285519	/nfs/dbraw/zinc/28/55/19/814285519.db2.gz	NQJKKNIGWOOIEF-ROUUACIJSA-N	1	0	372.469	1.836	20	30		FDEDRO
C=CCNC(=O)CNC(NCc1ccc(OC)cc1)=[NH+]CCCOCC	ZINC000271978863	814532016	/nfs/dbraw/zinc/53/20/16/814532016.db2.gz	WLZDZBUNFBJILB-UHFFFAOYSA-N	1	0	362.474	1.459	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21	ZINC000422529535	814826960	/nfs/dbraw/zinc/82/69/60/814826960.db2.gz	PEZFSJOLORDTLD-GUDVDZBRSA-N	1	0	355.482	1.843	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)CN(C)C2CC[NH+](CCO)CC2)c1C	ZINC000503588390	814850056	/nfs/dbraw/zinc/85/00/56/814850056.db2.gz	HNMRSVMHFNHRBS-UHFFFAOYSA-N	1	0	372.513	1.939	20	30		FDEDRO
COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1	ZINC000434720577	815716815	/nfs/dbraw/zinc/71/68/15/815716815.db2.gz	URYAPTDNJNPCFZ-DOTOQJQBSA-N	1	0	372.469	1.750	20	30		FDEDRO
N#Cc1cccc(OCCC[NH+]2CCC([C@@H](O)C(=O)NC3CC3)CC2)c1	ZINC000434726626	815722155	/nfs/dbraw/zinc/72/21/55/815722155.db2.gz	MMGNMUWNPISTLP-LJQANCHMSA-N	1	0	357.454	1.679	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCC(C)CC1	ZINC001167956504	815756378	/nfs/dbraw/zinc/75/63/78/815756378.db2.gz	AYXGRLGHOHTUON-HKUYNNGSSA-N	1	0	365.518	1.712	20	30		FDEDRO
CC(C)(C)N1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)C1=O	ZINC001075709514	815766580	/nfs/dbraw/zinc/76/65/80/815766580.db2.gz	KEATUHGNGRLMIJ-IAOVAPTHSA-N	1	0	369.469	1.432	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2csc(COC)n2)C1	ZINC001028808644	815776852	/nfs/dbraw/zinc/77/68/52/815776852.db2.gz	CDWQPOAXPGOBEH-IMJJTQAJSA-N	1	0	365.499	1.819	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(CC(=O)Nc2cccc(C)c2)C1	ZINC001028810223	815795542	/nfs/dbraw/zinc/79/55/42/815795542.db2.gz	ZKGLTQXGEXXPGC-QRQLOZEOSA-N	1	0	371.481	1.963	20	30		FDEDRO
C[C@@H]1CN(Cc2cn(CCC#N)nc2-c2ccncc2)CC[N@@H+]1CCO	ZINC000434985387	815870340	/nfs/dbraw/zinc/87/03/40/815870340.db2.gz	ALPCOZBORVJWBF-MRXNPFEDSA-N	1	0	354.458	1.357	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)N[C@@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1	ZINC000514627439	815909692	/nfs/dbraw/zinc/90/96/92/815909692.db2.gz	JMVDVQHFMXMAPE-QZTJIDSGSA-N	1	0	357.454	1.734	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1	ZINC000514678506	815924106	/nfs/dbraw/zinc/92/41/06/815924106.db2.gz	SELZGYCCTMUNDV-CQSZACIVSA-N	1	0	358.442	1.742	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCc1ccc(CC#N)cc1	ZINC000514858848	816015747	/nfs/dbraw/zinc/01/57/47/816015747.db2.gz	ZIPDQIBLBABPLZ-HZPDHXFCSA-N	1	0	356.470	1.605	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N(C)CC1CC[NH+](C)CC1	ZINC000425392748	816081057	/nfs/dbraw/zinc/08/10/57/816081057.db2.gz	ZYMNYJDQSAADSD-OAHLLOKOSA-N	1	0	356.470	1.878	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(OC)c(OCC(N)=O)c(OC)c1	ZINC000435748597	816163591	/nfs/dbraw/zinc/16/35/91/816163591.db2.gz	GCEXHGPLPIHXCC-KSSFIOAISA-N	1	0	364.442	1.639	20	30		FDEDRO
COc1ccc2c(c1)OC[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)C2	ZINC000515467249	816277895	/nfs/dbraw/zinc/27/78/95/816277895.db2.gz	VKFPMRYQMDQFHB-DLBZAZTESA-N	1	0	354.406	1.900	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN(Cc2cn(C(C)C)nn2)C1	ZINC001028862417	816299247	/nfs/dbraw/zinc/29/92/47/816299247.db2.gz	RCFGFJXUJFWWOZ-SZMVWBNQSA-N	1	0	361.490	1.778	20	30		FDEDRO
Cn1nncc1Cn1c2c(cc(C#N)c1=O)C[N@@H+](Cc1ccccc1)CC2	ZINC000515672914	816366705	/nfs/dbraw/zinc/36/67/05/816366705.db2.gz	MSZYAJUELNOOOW-UHFFFAOYSA-N	1	0	360.421	1.455	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)CC4OCCCO4)[C@@H]3C2)c1	ZINC001075724918	816380350	/nfs/dbraw/zinc/38/03/50/816380350.db2.gz	GJJVDZRYYGBZJW-ZWKOTPCHSA-N	1	0	355.438	1.744	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CCOC2)C[C@H]1C(F)(F)F	ZINC001112136738	816459025	/nfs/dbraw/zinc/45/90/25/816459025.db2.gz	COCFYRIMRCGLBQ-MRVWCRGKSA-N	1	0	370.375	1.529	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C	ZINC000425796216	817039847	/nfs/dbraw/zinc/03/98/47/817039847.db2.gz	OELJJBBPYJMVLQ-XKQJLSEDSA-N	1	0	373.453	1.718	20	30		FDEDRO
N#CC1CCC(C[NH2+]C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1	ZINC000516966107	817133360	/nfs/dbraw/zinc/13/33/60/817133360.db2.gz	VMXOPOYCXRPENO-DQPZFDDXSA-N	1	0	356.426	1.784	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN2C[C@@H]3CCN(C(=O)CC(C)(C)O)[C@@H]3C2)c1	ZINC001075742266	817142813	/nfs/dbraw/zinc/14/28/13/817142813.db2.gz	QERAIWYCNBUSAF-FUHWJXTLSA-N	1	0	369.465	1.300	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000516992868	817158653	/nfs/dbraw/zinc/15/86/53/817158653.db2.gz	MAPMGMXIPHVLOM-ZWKOTPCHSA-N	1	0	365.518	1.685	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)C[NH+]1CCCC1	ZINC000425869412	817268415	/nfs/dbraw/zinc/26/84/15/817268415.db2.gz	KFLAHCRQLPNCFO-HOTGVXAUSA-N	1	0	356.470	1.926	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)C[NH+]1CCCC1	ZINC000425869402	817268497	/nfs/dbraw/zinc/26/84/97/817268497.db2.gz	KFLAHCRQLPNCFO-CVEARBPZSA-N	1	0	356.470	1.926	20	30		FDEDRO
CCC(=O)N1CC[C@H](NC(NCc2nnc(C)n2C)=[NH+]C2CCCC2)C1	ZINC000261946905	817269504	/nfs/dbraw/zinc/26/95/04/817269504.db2.gz	GDELKMRZUALGSY-HNNXBMFYSA-N	1	0	361.494	1.112	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C	ZINC000425872922	817277859	/nfs/dbraw/zinc/27/78/59/817277859.db2.gz	OYKKJHKWJKDWMU-UAGQMJEPSA-N	1	0	363.433	1.252	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCN(C)C(=O)C2)c(OC)c1	ZINC000517733161	817554297	/nfs/dbraw/zinc/55/42/97/817554297.db2.gz	VARYQOVMDUVZQJ-IAGOWNOFSA-N	1	0	362.470	1.621	20	30		FDEDRO
C[C@@H]1CC[N@H+](C)CCN1C(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000473588454	817557708	/nfs/dbraw/zinc/55/77/08/817557708.db2.gz	BYGOGVHRDCWRKF-CRAIPNDOSA-N	1	0	354.454	1.602	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H]2CN(Cc3noc(CC)n3)C[C@H]2C1	ZINC000366696020	817563704	/nfs/dbraw/zinc/56/37/04/817563704.db2.gz	NYCWYTVEZSLZBF-IYBDPMFKSA-N	1	0	361.490	1.420	20	30		FDEDRO
C[NH+](C)CCOC1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1	ZINC000506462747	817831287	/nfs/dbraw/zinc/83/12/87/817831287.db2.gz	JOQRFTRCXHYQHM-IBGZPJMESA-N	1	0	367.490	1.817	20	30		FDEDRO
CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C	ZINC000506502298	817882953	/nfs/dbraw/zinc/88/29/53/817882953.db2.gz	KXTUEHWNKTXZIC-LJQANCHMSA-N	1	0	366.506	1.344	20	30		FDEDRO
C[NH+]=C(NC[C@H](c1cccc(OC)c1)N(C)C)N1CC[C@@]2(CCOC2)C1	ZINC000261984687	817910160	/nfs/dbraw/zinc/91/01/60/817910160.db2.gz	PRYKEOVVRCWWHA-UYAOXDASSA-N	1	0	360.502	1.986	20	30		FDEDRO
C[NH+]=C(NCc1c(OC)cc(OC)cc1OC)N1CC[C@@]2(CCOC2)C1	ZINC000261988226	817920963	/nfs/dbraw/zinc/92/09/63/817920963.db2.gz	QSUMTJWGOQZQTA-LJQANCHMSA-N	1	0	363.458	1.900	20	30		FDEDRO
C[NH+]=C(NCc1cccnc1N1CCOCC1)N1CC[C@@]2(CCOC2)C1	ZINC000261992246	817963309	/nfs/dbraw/zinc/96/33/09/817963309.db2.gz	RNANFKOSPROABL-LJQANCHMSA-N	1	0	359.474	1.106	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)Cn2cncn2)C1	ZINC001087476546	818378586	/nfs/dbraw/zinc/37/85/86/818378586.db2.gz	SYURIVDDSSVQII-OALUTQOASA-N	1	0	369.469	1.837	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1	ZINC000983700314	818602987	/nfs/dbraw/zinc/60/29/87/818602987.db2.gz	KXZXGRQUBVOYRP-BMFZPTHFSA-N	1	0	357.458	1.195	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnc(C3CC3)[nH]2)C1	ZINC000983698560	818605490	/nfs/dbraw/zinc/60/54/90/818605490.db2.gz	PGBZBFBQTTUHHO-MIGQKNRLSA-N	1	0	359.474	1.648	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+][C@H]1CCN(C2CCC2)C1=O	ZINC001167985819	818779764	/nfs/dbraw/zinc/77/97/64/818779764.db2.gz	NSZTYCFJCAZHKH-BZSNNMDCSA-N	1	0	363.502	1.607	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC000983729925	818846684	/nfs/dbraw/zinc/84/66/84/818846684.db2.gz	SIMQSZMNAONIGF-TXCZRRACSA-N	1	0	371.485	1.583	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1	ZINC000415598608	819067575	/nfs/dbraw/zinc/06/75/75/819067575.db2.gz	VULYONWGQNELJK-LJQANCHMSA-N	1	0	371.441	1.145	20	30		FDEDRO
CC(=O)Nc1cccc(OCC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c1	ZINC000520219105	819258647	/nfs/dbraw/zinc/25/86/47/819258647.db2.gz	TYNNRWCUGCEYGZ-GOSISDBHSA-N	1	0	369.421	1.925	20	30		FDEDRO
C[NH+](C)C[C@]1(O)CCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C1	ZINC000895009995	819461536	/nfs/dbraw/zinc/46/15/36/819461536.db2.gz	JXBQIZGEWRHMBV-HXUWFJFHSA-N	1	0	353.470	1.987	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2cccnc2N2CCOCC2)C1	ZINC000328652729	819522564	/nfs/dbraw/zinc/52/25/64/819522564.db2.gz	BWYZJRDSYIUJGF-INIZCTEOSA-N	1	0	361.490	1.654	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1C(=O)Cc3ccccc31)C2	ZINC001112535993	819528021	/nfs/dbraw/zinc/52/80/21/819528021.db2.gz	LHCWYXRIEUHTLG-UWJYYQICSA-N	1	0	353.466	1.980	20	30		FDEDRO
Cc1cnn(C[C@H]2CN(C([O-])=[NH+]CC3CC[NH+](C4CC4)CC3)CCO2)c1	ZINC000328601855	819530444	/nfs/dbraw/zinc/53/04/44/819530444.db2.gz	GFUFCQNCURPFLA-GOSISDBHSA-N	1	0	361.490	1.681	20	30		FDEDRO
CN1C(=O)c2ccc(NC(=O)CN3CC[NH+](CC4CC4)CC3)cc2C1=O	ZINC000328746517	819543305	/nfs/dbraw/zinc/54/33/05/819543305.db2.gz	ANAJBSVVEMMWMJ-UHFFFAOYSA-N	1	0	356.426	1.528	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)C[NH+]2CCCC2)c1	ZINC000983803676	819578028	/nfs/dbraw/zinc/57/80/28/819578028.db2.gz	FEGHQQJLVGDCOT-APWZRJJASA-N	1	0	368.481	1.516	20	30		FDEDRO
CN1CCN(C(=O)c2cc(NC(=O)N3CCC[C@@H](C(N)=O)C3)ccn2)CC1	ZINC000328944884	819584981	/nfs/dbraw/zinc/58/49/81/819584981.db2.gz	ATUSDROPRPURRS-CYBMUJFWSA-N	1	0	374.445	1.262	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc2n[nH]c(=O)n2c1	ZINC000328951403	819586700	/nfs/dbraw/zinc/58/67/00/819586700.db2.gz	XGAGMERYWFJDQN-CABCVRRESA-N	1	0	359.430	1.507	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000328984325	819605295	/nfs/dbraw/zinc/60/52/95/819605295.db2.gz	SUPWMMDGPUVARA-SJORKVTESA-N	1	0	365.522	1.804	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1	ZINC000983810174	819632999	/nfs/dbraw/zinc/63/29/99/819632999.db2.gz	ZSJYSISNTZLEPP-KEYYUXOJSA-N	1	0	357.458	1.195	20	30		FDEDRO
COc1ncc(NC(=O)N2CC[NH+](CCC(C)(C)C)CC2)cc1C(N)=O	ZINC000331029155	819659114	/nfs/dbraw/zinc/65/91/14/819659114.db2.gz	DNJWKOUMABCWJI-UHFFFAOYSA-N	1	0	363.462	1.788	20	30		FDEDRO
CC[C@@H]1COCCN1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1	ZINC000331172184	819668692	/nfs/dbraw/zinc/66/86/92/819668692.db2.gz	JXMPUNRIBQDYFF-MRXNPFEDSA-N	1	0	368.522	1.638	20	30		FDEDRO
COC(=O)c1cc(CNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)oc1C	ZINC000331220421	819672203	/nfs/dbraw/zinc/67/22/03/819672203.db2.gz	JKNRTQVSEXFCSV-LBPRGKRZSA-N	1	0	367.446	1.566	20	30		FDEDRO
COc1cc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)c(OC)c(C)c1OC	ZINC000331222115	819672223	/nfs/dbraw/zinc/67/22/23/819672223.db2.gz	CLJKGDTUTCVCHM-CYBMUJFWSA-N	1	0	367.446	1.829	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1	ZINC000895057176	819708222	/nfs/dbraw/zinc/70/82/22/819708222.db2.gz	SHHNRPADCBDGFD-SHTZXODSSA-N	1	0	352.479	1.544	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCc4ccccc43)C[C@@H]2O)[nH]1	ZINC001083413658	820013161	/nfs/dbraw/zinc/01/31/61/820013161.db2.gz	YSWVSZHCQALDFU-QYZOEREBSA-N	1	0	350.422	1.739	20	30		FDEDRO
CC(C)c1ccc(C[N@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)cc1	ZINC001083414761	820220957	/nfs/dbraw/zinc/22/09/57/820220957.db2.gz	UJLRJAVDOJDNPZ-MOPGFXCFSA-N	1	0	352.438	1.985	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccc(F)nc3)[C@H]2CC)C1=O	ZINC001087522649	820395874	/nfs/dbraw/zinc/39/58/74/820395874.db2.gz	PMLAKDWZTHADOC-ARFHVFGLSA-N	1	0	360.433	1.590	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3n[nH]c(C)c3C)[C@H]2CC)C1=O	ZINC001087525224	820481925	/nfs/dbraw/zinc/48/19/25/820481925.db2.gz	LJNVHCPDFDHESG-XHSDSOJGSA-N	1	0	359.474	1.396	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2nnn(C)c2C)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087528341	820592925	/nfs/dbraw/zinc/59/29/25/820592925.db2.gz	CWGUGHWPBQFHII-DLBZAZTESA-N	1	0	352.442	1.778	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087529446	820613698	/nfs/dbraw/zinc/61/36/98/820613698.db2.gz	HDURXVKQKBKMSK-OTWHNJEPSA-N	1	0	356.470	1.358	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)[C@H](C)C#N)CC1	ZINC000984034358	820621725	/nfs/dbraw/zinc/62/17/25/820621725.db2.gz	NRZOUZWNYZHNCD-NUJGCVRESA-N	1	0	358.486	1.235	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)c2c[nH]c(C#N)c2)C1	ZINC000984078061	820733862	/nfs/dbraw/zinc/73/38/62/820733862.db2.gz	YEJGGYBQXRSMNR-RKVPGOIHSA-N	1	0	371.485	1.585	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)c3ncc(C#N)cc3Cl)ccn2)CC1	ZINC000427911239	820840731	/nfs/dbraw/zinc/84/07/31/820840731.db2.gz	CEFMUVZCPJEBOF-UHFFFAOYSA-N	1	0	370.844	1.683	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1	ZINC000441949620	821001178	/nfs/dbraw/zinc/00/11/78/821001178.db2.gz	BDYZVUPHJJGQKS-UHFFFAOYSA-N	1	0	368.359	1.974	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C[C@@H]1CCc2ncnn21	ZINC001087545282	821245602	/nfs/dbraw/zinc/24/56/02/821245602.db2.gz	ASPYCRMWWHIDTQ-OFQRWUPVSA-N	1	0	353.430	1.248	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2conc2C2CC2)C[C@H]1C(F)(F)F	ZINC001112164087	821279542	/nfs/dbraw/zinc/27/95/42/821279542.db2.gz	CVFVSEJZSVKGKM-ZIAGYGMSSA-N	1	0	371.359	1.794	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1Cc1nn(CC)nc1C	ZINC001087548818	821301853	/nfs/dbraw/zinc/30/18/53/821301853.db2.gz	QIXRMWQOEJFDEM-DOTOQJQBSA-N	1	0	355.446	1.589	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1CCO[C@@H]1CC1(F)F	ZINC001087548612	821307157	/nfs/dbraw/zinc/30/71/57/821307157.db2.gz	FVCCLGDKGOPRLN-RRFJBIMHSA-N	1	0	352.385	1.893	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCc2cccc(C#N)c2)CC1	ZINC000521849578	821367490	/nfs/dbraw/zinc/36/74/90/821367490.db2.gz	PPTHYEIWWJCEHW-UHFFFAOYSA-N	1	0	357.458	1.300	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C	ZINC000521930750	821400274	/nfs/dbraw/zinc/40/02/74/821400274.db2.gz	MIPLZDUFONBTGW-HIFRSBDPSA-N	1	0	356.426	1.591	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCNC2=O)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087600080	821681250	/nfs/dbraw/zinc/68/12/50/821681250.db2.gz	JCRUMMIDDQLFNW-OKZBNKHCSA-N	1	0	354.454	1.554	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2OCCO[C@H]2C)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087607901	821720907	/nfs/dbraw/zinc/72/09/07/821720907.db2.gz	FEJKJHMXWKFTKD-FZDIXFNVSA-N	1	0	357.454	1.831	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCN(C)C(=O)C2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087628021	821808445	/nfs/dbraw/zinc/80/84/45/821808445.db2.gz	XTLAPGHZLSZEEJ-GBESFXJTSA-N	1	0	368.481	1.896	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)NC2)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087636018	821857529	/nfs/dbraw/zinc/85/75/29/821857529.db2.gz	XBECCHAHBHLVKN-VBNZEHGJSA-N	1	0	360.483	1.615	20	30		FDEDRO
CCOC(=O)Cn1cc(C[N@@H+]2CCC[C@H](CC#N)C2)c(-c2cnn(C)c2)n1	ZINC000895229887	821954595	/nfs/dbraw/zinc/95/45/95/821954595.db2.gz	YOVHBHITDKRJOM-OAHLLOKOSA-N	1	0	370.457	1.972	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087713531	822170649	/nfs/dbraw/zinc/17/06/49/822170649.db2.gz	SMPRJVDALADBOB-FUHWJXTLSA-N	1	0	352.438	1.760	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087727085	822251172	/nfs/dbraw/zinc/25/11/72/822251172.db2.gz	FQKQMHHDJGAHSF-ZSYWTGECSA-N	1	0	368.481	1.752	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](N(C)C(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000984303843	822267261	/nfs/dbraw/zinc/26/72/61/822267261.db2.gz	YINQZRPHVUKCHD-HSALFYBXSA-N	1	0	371.525	1.827	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCN2CCCC2=O)[C@@H]1CC	ZINC001087732263	822276424	/nfs/dbraw/zinc/27/64/24/822276424.db2.gz	LKCVDYIJHDVHEZ-XDNAFOTISA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1	ZINC000984306021	822290575	/nfs/dbraw/zinc/29/05/75/822290575.db2.gz	JCRNFTVJAHCCDQ-ZACQAIPSSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)C1=O	ZINC000984347174	822417654	/nfs/dbraw/zinc/41/76/54/822417654.db2.gz	HFEWLSTVTUCUDN-UGDFAFBOSA-N	1	0	361.486	1.073	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3nnc(C)o3)[C@@H]2CC)CC1	ZINC001087840235	822559328	/nfs/dbraw/zinc/55/93/28/822559328.db2.gz	NGJGQFZNDYXATL-DLBZAZTESA-N	1	0	359.474	1.192	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N(C)C2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087841515	822565990	/nfs/dbraw/zinc/56/59/90/822565990.db2.gz	AXTACHFVEUPVJO-GBESFXJTSA-N	1	0	368.481	1.896	20	30		FDEDRO
C[C@@H]1[C@H](NC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CCC[N@@H+]1C	ZINC000474183058	822621008	/nfs/dbraw/zinc/62/10/08/822621008.db2.gz	OBMKENVEYLWFNZ-OLMNPRSZSA-N	1	0	354.454	1.648	20	30		FDEDRO
CC(C)c1ccccc1C[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1	ZINC001083418631	822641106	/nfs/dbraw/zinc/64/11/06/822641106.db2.gz	SFUWBSWBAWWPGD-MOPGFXCFSA-N	1	0	352.438	1.985	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]Cc2cn(C)nn2)C1	ZINC001088315846	828464446	/nfs/dbraw/zinc/46/44/46/828464446.db2.gz	JMFCJTDXOPJZNQ-NXHRZFHOSA-N	1	0	361.490	1.657	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)C4=COCCO4)C[C@@H]3C2)c1	ZINC001087873963	822669094	/nfs/dbraw/zinc/66/90/94/822669094.db2.gz	AGGDKVBKIMGRNM-MSOLQXFVSA-N	1	0	353.422	1.727	20	30		FDEDRO
O=C(c1cc[n+]([O-])cc1)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001087874592	822672096	/nfs/dbraw/zinc/67/20/96/822672096.db2.gz	FMVBZORTISDRHH-RTWAWAEBSA-N	1	0	361.445	1.766	20	30		FDEDRO
C=C(C)COc1cc(C[NH+]2CCC(O)(COCCO)CC2)ccc1OC	ZINC000895827339	822754531	/nfs/dbraw/zinc/75/45/31/822754531.db2.gz	OAUSGEXVUIVBOS-UHFFFAOYSA-N	1	0	365.470	1.986	20	30		FDEDRO
COC(=O)N[C@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1	ZINC000895848092	822770181	/nfs/dbraw/zinc/77/01/81/822770181.db2.gz	KBJQMMWWYHMEJZ-INIZCTEOSA-N	1	0	354.414	1.789	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)[C@@]34CC[N@H+](C3)CCC4)C2=O)cc1	ZINC000897348064	828516309	/nfs/dbraw/zinc/51/63/09/828516309.db2.gz	AFWFVQWTIXDWFD-PXNSSMCTSA-N	1	0	352.438	1.656	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cscn4)C[C@@H]3C2)C1=O	ZINC001087908161	823742910	/nfs/dbraw/zinc/74/29/10/823742910.db2.gz	QHCOVDPHDAJAQB-IJEWVQPXSA-N	1	0	360.483	1.324	20	30		FDEDRO
CNC(=O)c1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]3C2)c1	ZINC001087909686	823757645	/nfs/dbraw/zinc/75/76/45/823757645.db2.gz	UKMXXVMYSPYXQR-QGTPRVQTSA-N	1	0	354.454	1.486	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)C2)C[C@H]1C(F)(F)F	ZINC001112191032	828599150	/nfs/dbraw/zinc/59/91/50/828599150.db2.gz	DWUWFNHTCAWIOA-BFHYXJOUSA-N	1	0	361.408	1.800	20	30		FDEDRO
N#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CCc4ccns4)CC[C@@H]3C2)[nH]1	ZINC001087938946	824018511	/nfs/dbraw/zinc/01/85/11/824018511.db2.gz	SFCQRQYKECEJBI-KGLIPLIRSA-N	1	0	355.467	1.979	20	30		FDEDRO
C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NC2CCN(c3ccccc3C#N)CC2)C1	ZINC000896102497	824030975	/nfs/dbraw/zinc/03/09/75/824030975.db2.gz	CGYSPHDHHUWFPL-LPHOPBHVSA-N	1	0	353.470	1.873	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CCn4ccnn4)C[C@@H]3C2)cc1	ZINC001087948473	824082430	/nfs/dbraw/zinc/08/24/30/824082430.db2.gz	DUZKCWFQLGHEJW-MOPGFXCFSA-N	1	0	364.453	1.520	20	30		FDEDRO
Cn1nncc1C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)CC[C@@H]2C1	ZINC001087953075	824129123	/nfs/dbraw/zinc/12/91/23/824129123.db2.gz	CJQOVQQXVKYVOI-SJORKVTESA-N	1	0	350.426	1.281	20	30		FDEDRO
CC(C)[C@@H](O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)CC[C@@H]2C1	ZINC001087955648	824143571	/nfs/dbraw/zinc/14/35/71/824143571.db2.gz	YUZACJALNUTMIV-ZIFCJYIRSA-N	1	0	359.445	1.995	20	30		FDEDRO
CN(C(=O)CN1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1)c1ccccc1	ZINC001087962224	824198238	/nfs/dbraw/zinc/19/82/38/824198238.db2.gz	DRNUJRWTYWWDBX-MOPGFXCFSA-N	1	0	365.477	1.843	20	30		FDEDRO
Cn1nnc2cc(C[N@@H+]3CC[C@@H]4CN(C(=O)C#CC5CC5)C[C@@H]4C3)ccc21	ZINC001087962530	824198663	/nfs/dbraw/zinc/19/86/63/824198663.db2.gz	VNKZDELLSABQMZ-MSOLQXFVSA-N	1	0	363.465	1.662	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CC[C@H]2CC[C@@H](C3OCCO3)O2)CC1	ZINC000896209147	824202227	/nfs/dbraw/zinc/20/22/27/824202227.db2.gz	VNSYGRKJRDPEFS-SJORKVTESA-N	1	0	352.475	1.844	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3CC)C2)CC1	ZINC000984684906	824480414	/nfs/dbraw/zinc/48/04/14/824480414.db2.gz	JRHDMCSSTWWQSJ-NZSAHSFTSA-N	1	0	359.514	1.827	20	30		FDEDRO
C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C	ZINC000329021666	824534928	/nfs/dbraw/zinc/53/49/28/824534928.db2.gz	ICSXWLYXXQMQIE-LZLYRXPVSA-N	1	0	363.506	1.870	20	30		FDEDRO
N#CCCn1ncc(C(=O)N2CCN(CCO)CC2)c1-c1ccccc1	ZINC000429706893	828665535	/nfs/dbraw/zinc/66/55/35/828665535.db2.gz	HJBYTEVZNFKKME-UHFFFAOYSA-N	1	0	353.426	1.214	20	30		FDEDRO
C[C@H](NC(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1)C1=CC[N@H+](C)CC1	ZINC000329101722	824586769	/nfs/dbraw/zinc/58/67/69/824586769.db2.gz	ZUYXTZMAGKYLIA-HNAYVOBHSA-N	1	0	364.490	1.000	20	30		FDEDRO
Cn1nccc1[C@H]1[C@H](CNC(=O)[C@H]2CCc3n[nH]nc3C2)CCC[N@@H+]1C	ZINC000329147291	824625781	/nfs/dbraw/zinc/62/57/81/824625781.db2.gz	XTAUKGXCIQQTKN-GDZNZVCISA-N	1	0	357.462	1.683	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cccc(-n4ccnc4)c3)CC2)C1=O	ZINC000329158241	824633828	/nfs/dbraw/zinc/63/38/28/824633828.db2.gz	DJXPISMNHSDVCI-GOSISDBHSA-N	1	0	367.453	1.872	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)C3CCN(CC(F)F)CC3)CC2)C1=O	ZINC000329158291	824634089	/nfs/dbraw/zinc/63/40/89/824634089.db2.gz	DKZXAORSUCJRDG-HNNXBMFYSA-N	1	0	372.460	1.615	20	30		FDEDRO
CCc1noc(CC)c1CC(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1	ZINC000329158567	824634125	/nfs/dbraw/zinc/63/41/25/824634125.db2.gz	DNGPORVVZBAAIY-INIZCTEOSA-N	1	0	362.474	1.994	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)c(OC)c1	ZINC000896582443	824670075	/nfs/dbraw/zinc/67/00/75/824670075.db2.gz	WJZHYYUUHQREHZ-NVXWUHKLSA-N	1	0	361.486	1.553	20	30		FDEDRO
CO[C@@H]1[C@H](C)[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1(C)C	ZINC000329212195	824671920	/nfs/dbraw/zinc/67/19/20/824671920.db2.gz	HQUJRGMYOKTXBH-FXUDXRNXSA-N	1	0	366.506	1.198	20	30		FDEDRO
Cn1nccc1[C@H]1[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC(=O)N1C	ZINC000329259868	824698028	/nfs/dbraw/zinc/69/80/28/824698028.db2.gz	AITLWEXYEWCPCB-HDMKZQKVSA-N	1	0	374.489	1.166	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)CC1	ZINC000329274373	824707967	/nfs/dbraw/zinc/70/79/67/824707967.db2.gz	ILIQSCRPKQWWKW-IEBWSBKVSA-N	1	0	372.517	1.292	20	30		FDEDRO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)C1	ZINC000329309936	824726663	/nfs/dbraw/zinc/72/66/63/824726663.db2.gz	ZFIRBDGDPBOFCU-ZACQAIPSSA-N	1	0	365.522	1.899	20	30		FDEDRO
C[C@@H]1C(=O)NCCN1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1cncn1C	ZINC000329341552	824746028	/nfs/dbraw/zinc/74/60/28/824746028.db2.gz	PBFDNFOVGWZYBT-AXAPSJFSSA-N	1	0	374.445	1.189	20	30		FDEDRO
Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1	ZINC000329483542	824829080	/nfs/dbraw/zinc/82/90/80/824829080.db2.gz	QEXOTYRFTYQWEX-XYJFISCASA-N	1	0	361.490	1.972	20	30		FDEDRO
C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000329496499	824837568	/nfs/dbraw/zinc/83/75/68/824837568.db2.gz	JBNXHKUIWBVKNX-ZACQAIPSSA-N	1	0	365.522	1.853	20	30		FDEDRO
O=C(Nc1cnn(CCN2CCOCC2)c1)N1CCOCC2(CCC2)C1	ZINC000329521316	824851915	/nfs/dbraw/zinc/85/19/15/824851915.db2.gz	OVJAQJJGQLLKCR-UHFFFAOYSA-N	1	0	363.462	1.263	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC3CC(F)(F)C3)CC[C@@H]2C1	ZINC001087998158	825074395	/nfs/dbraw/zinc/07/43/95/825074395.db2.gz	UGXXJZQOQNUXSQ-SQNIBIBYSA-N	1	0	365.468	1.910	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(F)cn3)CC[C@@H]2C1	ZINC001087998063	825074683	/nfs/dbraw/zinc/07/46/83/825074683.db2.gz	PDIPGMLGFGHRIB-UWVAXJGDSA-N	1	0	370.472	1.599	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCC(F)(F)F)CC[C@@H]2C1	ZINC001087998130	825075364	/nfs/dbraw/zinc/07/53/64/825075364.db2.gz	SMNYIRFNCZSKQA-PMPSAXMXSA-N	1	0	357.420	1.817	20	30		FDEDRO
O=C([C@@H]1CCCNC1=O)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001088002915	825114827	/nfs/dbraw/zinc/11/48/27/825114827.db2.gz	YLYLLLJIYLPJDR-HSALFYBXSA-N	1	0	365.477	1.345	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)CC[C@@H]2C1	ZINC001088004825	825132376	/nfs/dbraw/zinc/13/23/76/825132376.db2.gz	VKRHKRHBKANMOI-SJORKVTESA-N	1	0	365.437	1.890	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC000984871290	825191434	/nfs/dbraw/zinc/19/14/34/825191434.db2.gz	LDKGYNUFLFXPCT-FUHWJXTLSA-N	1	0	371.485	1.728	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cn4c(n3)C[C@H](OC)CC4)C[C@@H]2C1	ZINC001088010510	825222455	/nfs/dbraw/zinc/22/24/55/825222455.db2.gz	XSJCWXCZHZSGFE-IXDOHACOSA-N	1	0	356.470	1.262	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c(c3)N(C)CCO4)C[C@@H]2C1	ZINC001088011767	825229222	/nfs/dbraw/zinc/22/92/22/825229222.db2.gz	CECGAUVBOZGNSM-MSOLQXFVSA-N	1	0	353.466	1.932	20	30		FDEDRO
CN(CC(=O)NC1(C#N)CCC1)C1CC[NH+](CCc2ccccn2)CC1	ZINC000525893956	828756772	/nfs/dbraw/zinc/75/67/72/828756772.db2.gz	GZRDMZIWDOYJNI-UHFFFAOYSA-N	1	0	355.486	1.583	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cn[nH]n4)C[C@@H]3C2)cc1F	ZINC001088024089	825373287	/nfs/dbraw/zinc/37/32/87/825373287.db2.gz	PKBAUQLBPWDNPT-CABCVRRESA-N	1	0	354.389	1.410	20	30		FDEDRO
CC[C@@H]1CN(C(=O)N[C@@H]2CCOC3(CCOCC3)C2)CC[N@@H+]1C[C@@H](C)O	ZINC000329750007	825418212	/nfs/dbraw/zinc/41/82/12/825418212.db2.gz	HVYKFMYHXKVKQR-BRWVUGGUSA-N	1	0	369.506	1.406	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ncnn2CCF)C1	ZINC000984921496	825449507	/nfs/dbraw/zinc/44/95/07/825449507.db2.gz	QITAWTDDJKCRCI-JKQORVJESA-N	1	0	365.453	1.213	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc4sccn4c3=O)C[C@@H]2C1	ZINC001088032220	825462652	/nfs/dbraw/zinc/46/26/52/825462652.db2.gz	FXHFKDNODBNKLW-KGLIPLIRSA-N	1	0	358.467	1.726	20	30		FDEDRO
CCn1cc(CN2CCCN(C(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)cn1	ZINC000329809669	825470655	/nfs/dbraw/zinc/47/06/55/825470655.db2.gz	QGIREPLZEJSVOU-FUHWJXTLSA-N	1	0	362.522	1.807	20	30		FDEDRO
CO[C@@H]1CN(CCOc2cccc(C)c2)C[C@H]1NC(=O)CSCC#N	ZINC001211888716	825517430	/nfs/dbraw/zinc/51/74/30/825517430.db2.gz	LOYQUCPHHSTCJI-IAGOWNOFSA-N	1	0	363.483	1.446	20	30		FDEDRO
Cc1ccc(N2CCC[C@H](NC([O-])=[NH+]C[C@@H]3CCc4nccn4C3)C2)nn1	ZINC000329932122	825550209	/nfs/dbraw/zinc/55/02/09/825550209.db2.gz	AYBOWUOXYWUFBU-HOTGVXAUSA-N	1	0	369.473	1.717	20	30		FDEDRO
CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1	ZINC000329972579	825572397	/nfs/dbraw/zinc/57/23/97/825572397.db2.gz	YEZCYTWKMMNTFN-KSZLIROESA-N	1	0	358.486	1.735	20	30		FDEDRO
CN(C)c1ncn(-c2cccc(NC(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)c2)n1	ZINC000330011282	825601152	/nfs/dbraw/zinc/60/11/52/825601152.db2.gz	ISQKZBJZIBMZDN-QGZVFWFLSA-N	1	0	367.457	1.825	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccnn4C(C)C)[C@@H]3C2)C1=O	ZINC001075833098	825607417	/nfs/dbraw/zinc/60/74/17/825607417.db2.gz	ZMIPJJKETUXAKR-LZLYRXPVSA-N	1	0	371.485	1.397	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)C[C@@H]1C	ZINC000330105091	825640675	/nfs/dbraw/zinc/64/06/75/825640675.db2.gz	ICLFUDAMCNBLMK-OFQRWUPVSA-N	1	0	362.478	1.244	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCCN3CC(F)F)C[C@@H]2C1	ZINC001088053286	825642830	/nfs/dbraw/zinc/64/28/30/825642830.db2.gz	BPSZSCPDBWRXTC-IXDOHACOSA-N	1	0	371.472	1.699	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCCS3(=O)=O)C[C@@H]2C1	ZINC001088053776	825652487	/nfs/dbraw/zinc/65/24/87/825652487.db2.gz	ZJBKNLPARAOMBG-IXDOHACOSA-N	1	0	354.516	1.700	20	30		FDEDRO
CC(=O)NC[C@@H]1CCn2ncc(C(=O)N(C)C[C@H]3CCC[N@H+](C)C3)c2C1	ZINC000330141647	825671664	/nfs/dbraw/zinc/67/16/64/825671664.db2.gz	QBHHLKBXOOFKHT-CVEARBPZSA-N	1	0	361.490	1.836	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)C[C@@H]2C1	ZINC001088058632	825688251	/nfs/dbraw/zinc/68/82/51/825688251.db2.gz	KCOBAFFNKBXPFU-CABCVRRESA-N	1	0	360.458	1.485	20	30		FDEDRO
CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)ncn1	ZINC000330189583	825712600	/nfs/dbraw/zinc/71/26/00/825712600.db2.gz	LXCYHRSQCVSGSH-DNVCBOLYSA-N	1	0	373.505	1.429	20	30		FDEDRO
CN1CCO[C@H](CNC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1	ZINC000330189105	825712833	/nfs/dbraw/zinc/71/28/33/825712833.db2.gz	LOWHZRHNYXSNTN-QUCCMNQESA-N	1	0	360.502	1.875	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCn2c(nnc2C2CC2)C1	ZINC000330216504	825738202	/nfs/dbraw/zinc/73/82/02/825738202.db2.gz	HVVZJRNROZCVBE-HZPDHXFCSA-N	1	0	374.489	1.263	20	30		FDEDRO
COCCC(=O)N1CCC(NC(=O)N2CCC(c3c[nH]cn3)CC2)CC1	ZINC000330268173	825782477	/nfs/dbraw/zinc/78/24/77/825782477.db2.gz	ASVDBEXJCGFBCX-UHFFFAOYSA-N	1	0	363.462	1.531	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCNC4=O)C[C@@H]3C2)c(F)c1	ZINC001088065540	825791700	/nfs/dbraw/zinc/79/17/00/825791700.db2.gz	YHNMDAWUHBXLMY-HYVNUMGLSA-N	1	0	370.428	1.114	20	30		FDEDRO
C[C@@H](CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)C[NH+]1CCN(C)CC1	ZINC000281046910	825855169	/nfs/dbraw/zinc/85/51/69/825855169.db2.gz	XPCFJXFAFQMQAG-QFBILLFUSA-N	1	0	353.470	1.240	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1=O	ZINC000281273789	825924658	/nfs/dbraw/zinc/92/46/58/825924658.db2.gz	IDLOKMOQLYTVKY-QZTJIDSGSA-N	1	0	358.486	1.124	20	30		FDEDRO
CN(C(=O)[C@H]1CC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1)c1ccccc1	ZINC000281144900	825891626	/nfs/dbraw/zinc/89/16/26/825891626.db2.gz	PAMWTHBPMKQCIZ-MGPUTAFESA-N	1	0	354.454	1.780	20	30		FDEDRO
C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccn(-c2cccc(C#N)c2)n1	ZINC000281193546	825907274	/nfs/dbraw/zinc/90/72/74/825907274.db2.gz	BKOULICTGWBFQI-INIZCTEOSA-N	1	0	366.469	1.500	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1nn2c(c1Br)CCC2	ZINC000896891734	825948952	/nfs/dbraw/zinc/94/89/52/825948952.db2.gz	YRIIVAFOMHWBDL-UHFFFAOYSA-N	1	0	368.279	1.899	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cc(C)co4)C[C@@H]3C2)C1=O	ZINC001088075343	825991675	/nfs/dbraw/zinc/99/16/75/825991675.db2.gz	FOTTWAWCYRUZPN-IKGGRYGDSA-N	1	0	357.454	1.769	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)[C@@H]2CC)CC1	ZINC000984987943	825998736	/nfs/dbraw/zinc/99/87/36/825998736.db2.gz	AKATUWKJMUKPDM-ZGXWSNOMSA-N	1	0	371.525	1.873	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC000984989517	826002094	/nfs/dbraw/zinc/00/20/94/826002094.db2.gz	FHEVIRZXDQOGJX-CGTJXYLNSA-N	1	0	371.485	1.870	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1CCN(C(=O)c2ccco2)CC1	ZINC000262359415	826006009	/nfs/dbraw/zinc/00/60/09/826006009.db2.gz	GNEFZCKAMFMGCL-UAGQMJEPSA-N	1	0	374.485	1.816	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2cn(C)nc2C)C[C@H]1C(F)(F)F	ZINC001112175000	826049667	/nfs/dbraw/zinc/04/96/67/826049667.db2.gz	FMVPEKJFEFBSRV-HUUCEWRRSA-N	1	0	356.392	1.663	20	30		FDEDRO
C[NH+]=C(NCc1ccccc1OC1CCC1)N1CCN(C2CC2)C(=O)C1	ZINC000262375828	826170315	/nfs/dbraw/zinc/17/03/15/826170315.db2.gz	JLZPEUPQSVKIOA-UHFFFAOYSA-N	1	0	356.470	2.000	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cncc(F)c1	ZINC000281724399	826186148	/nfs/dbraw/zinc/18/61/48/826186148.db2.gz	SHHFDGKFEQJBTF-UHFFFAOYSA-N	1	0	369.400	1.621	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)c2cc(-c3cccc(C#N)c3)no2)CC1(C)C	ZINC000281754192	826205643	/nfs/dbraw/zinc/20/56/43/826205643.db2.gz	KVLKENIRBXZIKO-UHFFFAOYSA-N	1	0	367.453	1.969	20	30		FDEDRO
Cn1cc(C(=O)N2C[C@@H]3C[N@@H+](CC#Cc4ccccc4)CC[C@@H]3C2)[nH]c1=O	ZINC001088092354	826329849	/nfs/dbraw/zinc/32/98/49/826329849.db2.gz	CQMJWGZKMSMOKA-MSOLQXFVSA-N	1	0	364.449	1.571	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H]3C[N@@H+](C[C@H](O)Cn4cccn4)CC[C@@H]3C2)C1	ZINC001088098326	826386595	/nfs/dbraw/zinc/38/65/95/826386595.db2.gz	DMBCBBHLRWOUGW-SQNIBIBYSA-N	1	0	358.486	1.381	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2scnc2COC)C[C@H]1C(F)(F)F	ZINC001112176261	826418120	/nfs/dbraw/zinc/41/81/20/826418120.db2.gz	WSUDGOBVXYORKG-GHMZBOCLSA-N	1	0	361.389	1.905	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(N4CCCC4)ncn3)C[C@@H]2C1	ZINC001088106474	826419089	/nfs/dbraw/zinc/41/90/89/826419089.db2.gz	CHZIAPLGHXPWHH-SJORKVTESA-N	1	0	353.470	1.494	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nccnc3C)CC[C@@H]2C1	ZINC001088113288	826445635	/nfs/dbraw/zinc/44/56/35/826445635.db2.gz	ZWBXIAUDZFYXND-NTDBWNAOSA-N	1	0	356.470	1.656	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3nnc4ccccc4c3O)C[C@@H]2C1	ZINC001088126629	826531953	/nfs/dbraw/zinc/53/19/53/826531953.db2.gz	OSGAFESSHLRESG-CABCVRRESA-N	1	0	350.422	1.753	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4cnc(C)o4)CC[C@@H]3C2)nn1	ZINC001088133528	826574806	/nfs/dbraw/zinc/57/48/06/826574806.db2.gz	NCYZHDLFTFGPJA-CABCVRRESA-N	1	0	356.430	1.355	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4nc[nH]n4)C[C@@H]3C2)cc1F	ZINC001088144761	826678625	/nfs/dbraw/zinc/67/86/25/826678625.db2.gz	ZCXCRHFQRGMNDR-CABCVRRESA-N	1	0	354.389	1.410	20	30		FDEDRO
N#Cc1cccc(-c2c[nH]c(CNC(=O)C3C[NH+](C4CCOCC4)C3)n2)c1	ZINC000897044196	826807787	/nfs/dbraw/zinc/80/77/87/826807787.db2.gz	WFSRWXIHBHZTSW-UHFFFAOYSA-N	1	0	365.437	1.675	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2CC)cn1	ZINC000985209529	826928432	/nfs/dbraw/zinc/92/84/32/826928432.db2.gz	DALDXABSNZPXSA-RBUKOAKNSA-N	1	0	368.481	1.657	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c([nH]c3=O)CCOC4)C[C@@H]2C1	ZINC001088166668	826950634	/nfs/dbraw/zinc/95/06/34/826950634.db2.gz	MOFDWPXGUVFMMT-ZBFHGGJFSA-N	1	0	357.454	1.830	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)CC1	ZINC000928653976	827028634	/nfs/dbraw/zinc/02/86/34/827028634.db2.gz	ILWSZABXVQXXRJ-CQSZACIVSA-N	1	0	353.488	1.510	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4cc(C)no4)CC[C@@H]3C2)nc1	ZINC001088174319	827220307	/nfs/dbraw/zinc/22/03/07/827220307.db2.gz	QNKNJVYOJWVHTQ-SJORKVTESA-N	1	0	350.422	1.953	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4cnc(C)cn4)CC[C@@H]3C2)nc1	ZINC001088175287	827225195	/nfs/dbraw/zinc/22/51/95/827225195.db2.gz	OHAMTYIWBZDZHM-MSOLQXFVSA-N	1	0	361.449	1.755	20	30		FDEDRO
Cn1cncc1CC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)CC[C@@H]2C1	ZINC001088170726	827232245	/nfs/dbraw/zinc/23/22/45/827232245.db2.gz	CWJRUWWKNHBUCI-MOPGFXCFSA-N	1	0	363.465	1.815	20	30		FDEDRO
C=C(Br)CN1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1	ZINC001088172169	827242523	/nfs/dbraw/zinc/24/25/23/827242523.db2.gz	YRTMUHWLSQCDKL-CABCVRRESA-N	1	0	368.319	1.771	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nnc(C)n4C3)C[C@@H]2C1	ZINC001088210227	827485128	/nfs/dbraw/zinc/48/51/28/827485128.db2.gz	BYLOUWNOYWBHOS-KURKYZTESA-N	1	0	357.502	1.895	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cccc(CC)n4)[C@@H]3C2)C1=O	ZINC001075890021	833216692	/nfs/dbraw/zinc/21/66/92/833216692.db2.gz	JTTUYDPIRMDWHD-KFKAGJAMSA-N	1	0	368.481	1.577	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1	ZINC001088234872	827596703	/nfs/dbraw/zinc/59/67/03/827596703.db2.gz	DVRSKZIWRPVBRW-ROMHJBHXSA-N	1	0	358.482	1.373	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1	ZINC001088235486	827607032	/nfs/dbraw/zinc/60/70/32/827607032.db2.gz	SUDCOVRKWYMZJB-UHOSZYNNSA-N	1	0	364.486	1.143	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3CCO[C@H]3C=C)CC2)C1	ZINC001088237831	827638335	/nfs/dbraw/zinc/63/83/35/827638335.db2.gz	DSVMSKCNPIJARC-AQNXPRMDSA-N	1	0	360.498	1.930	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)C1	ZINC001088238291	827645619	/nfs/dbraw/zinc/64/56/19/827645619.db2.gz	QLVLHCBAIWNQFY-FGTMMUONSA-N	1	0	363.502	1.404	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+](C)C[C@@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1	ZINC001029744161	827971395	/nfs/dbraw/zinc/97/13/95/827971395.db2.gz	FUBFCYWOUYOITN-MDKPJZGXSA-N	1	0	369.465	1.884	20	30		FDEDRO
[NH2+]=C(NC[C@H]1SCCc2ccccc21)N1CCN(c2ncccn2)CC1	ZINC000262532843	827992198	/nfs/dbraw/zinc/99/21/98/827992198.db2.gz	OOUPIHVOBNLERU-QGZVFWFLSA-N	1	0	368.510	1.944	20	30		FDEDRO
C=CCN1CC[C@H]([NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)C1=O	ZINC000282015970	828120544	/nfs/dbraw/zinc/12/05/44/828120544.db2.gz	OVGFXVYONBRXDH-SFHVURJKSA-N	1	0	359.445	1.941	20	30		FDEDRO
Cn1ccc2c1cccc2NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000527117460	828965491	/nfs/dbraw/zinc/96/54/91/828965491.db2.gz	JHJLXXRNXAXXKP-UHFFFAOYSA-N	1	0	355.442	1.811	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N(C)[C@H]3CC[N@@H+](C4CC4)C3)CC2)o1	ZINC000527244946	829001990	/nfs/dbraw/zinc/00/19/90/829001990.db2.gz	VGVGCJUNEDKOBJ-INIZCTEOSA-N	1	0	357.458	1.766	20	30		FDEDRO
CN(C(=O)c1cnn(C)c1C#N)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1	ZINC000527252658	829005130	/nfs/dbraw/zinc/00/51/30/829005130.db2.gz	XDNSGXFUYFSERL-QZTJIDSGSA-N	1	0	372.517	1.701	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC1CCCCC1	ZINC001168095743	829126255	/nfs/dbraw/zinc/12/62/55/829126255.db2.gz	YLRPCUNPHMJSMV-WMZOPIPTSA-N	1	0	351.491	1.512	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC(C1CC1)C1CC1	ZINC001168101124	829226301	/nfs/dbraw/zinc/22/63/01/829226301.db2.gz	NOLMUCMYSVYQJV-LPHOPBHVSA-N	1	0	363.502	1.368	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]Cc1nnnn1C(C)(C)C	ZINC001168101129	829226307	/nfs/dbraw/zinc/22/63/07/829226307.db2.gz	NREOIPGDIZPNTA-ZFWWWQNUSA-N	1	0	350.467	1.005	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1c2n(c(=O)n1C)CCCC2)C(C)C	ZINC000448973738	829318439	/nfs/dbraw/zinc/31/84/39/829318439.db2.gz	FDSOABLPFSNKKA-KRWDZBQOSA-N	1	0	360.502	1.952	20	30		FDEDRO
C=CCn1c(-c2ncccn2)nnc1N1CCC(C)([NH+]2CCOCC2)CC1	ZINC000528298272	829333559	/nfs/dbraw/zinc/33/35/59/829333559.db2.gz	FAZQHQLJWDIZJM-UHFFFAOYSA-N	1	0	369.473	1.612	20	30		FDEDRO
CCCCNC(=O)C1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1	ZINC000528338406	829358854	/nfs/dbraw/zinc/35/88/54/829358854.db2.gz	LYFRTODLGICPDO-SFHVURJKSA-N	1	0	359.470	1.926	20	30		FDEDRO
CCCCNC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1	ZINC000528365632	829373431	/nfs/dbraw/zinc/37/34/31/829373431.db2.gz	LPWXEGDESCRVKC-QZTJIDSGSA-N	1	0	359.470	1.926	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[NH+]1CCC(O[C@H]2CCOC2)CC1	ZINC000528394481	829381751	/nfs/dbraw/zinc/38/17/51/829381751.db2.gz	IMWMMMVGQFJQBK-KRWDZBQOSA-N	1	0	368.433	1.556	20	30		FDEDRO
O=C1C[C@H]([C@@H]2CCCC[N@@H+]2CC#CCN2C(=O)c3ccccc3C2=O)CN1	ZINC000528431316	829400574	/nfs/dbraw/zinc/40/05/74/829400574.db2.gz	VMZRQVNOSRTROW-YJBOKZPZSA-N	1	0	365.433	1.277	20	30		FDEDRO
CC(C)(C)NC(=O)N1CCN(C[C@@H](O)COc2ccccc2C#N)CC1	ZINC000528460964	829415042	/nfs/dbraw/zinc/41/50/42/829415042.db2.gz	YTEVXYMOSAOGHN-MRXNPFEDSA-N	1	0	360.458	1.424	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O	ZINC000528521572	829435770	/nfs/dbraw/zinc/43/57/70/829435770.db2.gz	SFAQXGBHXZLCPX-OTWHNJEPSA-N	1	0	352.434	1.911	20	30		FDEDRO
N#CCCn1cc(C[NH2+]C[C@@H]2CCCCN2CCO)c(-c2ccncc2)n1	ZINC000449394231	829472408	/nfs/dbraw/zinc/47/24/08/829472408.db2.gz	FNKUHGSLQZRRDM-IBGZPJMESA-N	1	0	368.485	1.795	20	30		FDEDRO
C[N@H+](CCNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)Cc1ccc(F)cc1	ZINC000370067375	829480711	/nfs/dbraw/zinc/48/07/11/829480711.db2.gz	MXRRNZXTWVSPHW-SFHVURJKSA-N	1	0	359.449	1.639	20	30		FDEDRO
O=C1CN(C(NCCc2ccco2)=[NH+]C2CCOCC2)CCN1C1CC1	ZINC000262634263	829570319	/nfs/dbraw/zinc/57/03/19/829570319.db2.gz	FWRSIABKKOUHSO-UHFFFAOYSA-N	1	0	360.458	1.253	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]3C2)C1	ZINC000985895732	829999444	/nfs/dbraw/zinc/99/94/44/829999444.db2.gz	TYQBTFBVKZRUSW-UAGQMJEPSA-N	1	0	369.469	1.149	20	30		FDEDRO
C[NH+](C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C1)C1CC1	ZINC000985894271	830012036	/nfs/dbraw/zinc/01/20/36/830012036.db2.gz	LQMGWBXHZOOXDS-RYRKJORJSA-N	1	0	369.469	1.147	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1	ZINC000729810093	837434499	/nfs/dbraw/zinc/43/44/99/837434499.db2.gz	TWTUIIHCYNCPAS-GOSISDBHSA-N	1	0	357.410	1.858	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)CC1	ZINC000451617631	830411045	/nfs/dbraw/zinc/41/10/45/830411045.db2.gz	USWSVXSDQFZKOK-HBFSDRIKSA-N	1	0	362.518	1.065	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H]([NH2+]C[C@H]2CCCN2c2cccnn2)C1=O	ZINC000530961791	830491514	/nfs/dbraw/zinc/49/15/14/830491514.db2.gz	BVMSVTAHHHDJKK-CABCVRRESA-N	1	0	368.466	1.774	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C1	ZINC000531791748	830873427	/nfs/dbraw/zinc/87/34/27/830873427.db2.gz	JSUUWNSHKPPMRT-CVEARBPZSA-N	1	0	371.489	1.299	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1C#N	ZINC000453645223	830981277	/nfs/dbraw/zinc/98/12/77/830981277.db2.gz	FVMFCFLONHKRFU-MRXNPFEDSA-N	1	0	355.442	1.677	20	30		FDEDRO
CC[NH+](CC)CCN(CCOC)C(=O)C(=O)Nc1cc(C)cc(C#N)c1	ZINC000453649620	830983647	/nfs/dbraw/zinc/98/36/47/830983647.db2.gz	ZAGBTMBXPMXJQR-UHFFFAOYSA-N	1	0	360.458	1.622	20	30		FDEDRO
C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cccc(CC#N)c1	ZINC000453629814	830986124	/nfs/dbraw/zinc/98/61/24/830986124.db2.gz	QSQNKKYDIMVQIN-QGZVFWFLSA-N	1	0	358.442	1.260	20	30		FDEDRO
C#CCOc1ccc(C[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2=O)cc1	ZINC000378564562	831141110	/nfs/dbraw/zinc/14/11/10/831141110.db2.gz	CNNUXUYPFJSHPN-HXUWFJFHSA-N	1	0	371.481	1.111	20	30		FDEDRO
C[N@H+](CC(=O)N1C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CC[C@@H]2C1)C1CCC1	ZINC000986283497	831430679	/nfs/dbraw/zinc/43/06/79/831430679.db2.gz	QRPCPEPOJRLEJX-CVEARBPZSA-N	1	0	369.469	1.291	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]2C1	ZINC000986396853	831614634	/nfs/dbraw/zinc/61/46/34/831614634.db2.gz	FMPNRZJXDKJWHM-IPELMVKDSA-N	1	0	368.481	1.828	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N2CCCC2=O)C[C@H]1C(F)(F)F	ZINC001112208168	831955235	/nfs/dbraw/zinc/95/52/35/831955235.db2.gz	PDXIEIIAYQWMTH-MCIONIFRSA-N	1	0	359.392	1.390	20	30		FDEDRO
COCC#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2OCC[C@H]2C)C1	ZINC001105439672	832384668	/nfs/dbraw/zinc/38/46/68/832384668.db2.gz	GKCWIKMAHZTZSI-PBVWOCPUSA-N	1	0	370.493	1.867	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@](C[NH2+]CC(=O)NC)(c2ccccc2)C1	ZINC001105439800	832388117	/nfs/dbraw/zinc/38/81/17/832388117.db2.gz	NDLZCVARKCANJK-WIRSXHRWSA-N	1	0	371.481	1.130	20	30		FDEDRO
C=C[C@H]1C[C@]1(NC(=O)C1CC[NH+](Cc2ccncc2)CC1)C(=O)OCC	ZINC001142348124	832390520	/nfs/dbraw/zinc/39/05/20/832390520.db2.gz	OSUZWIHZRLRUOG-FXAWDEMLSA-N	1	0	357.454	1.918	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C[C@H](O)c1ccccc1F	ZINC001088523153	832410161	/nfs/dbraw/zinc/41/01/61/832410161.db2.gz	SXECKHBEPBMJQV-PUECVXPYSA-N	1	0	356.401	1.952	20	30		FDEDRO
CC(=O)N1CC(C(=O)N[C@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)[C@@H]2C)C1	ZINC001088541188	832543590	/nfs/dbraw/zinc/54/35/90/832543590.db2.gz	PKPYBJMQSSYWBH-KUHUBIRLSA-N	1	0	370.453	1.146	20	30		FDEDRO
COc1cccc([C@@H]2C[C@H]2CNC(=[NH2+])N2CCN(c3ncccn3)CC2)c1	ZINC000263179656	832627850	/nfs/dbraw/zinc/62/78/50/832627850.db2.gz	UBRNJUMBCSPUBB-WMZOPIPTSA-N	1	0	366.469	1.726	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C)CC1	ZINC000987634433	833489146	/nfs/dbraw/zinc/48/91/46/833489146.db2.gz	OZJAHRBYWCLOHK-PBHICJAKSA-N	1	0	371.485	1.726	20	30		FDEDRO
C[C@H](C(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]1C)[NH+]1CCCCCC1	ZINC000987620851	833498831	/nfs/dbraw/zinc/49/88/31/833498831.db2.gz	ONLWLEPVAUSMKN-INMHGKMJSA-N	1	0	371.485	1.870	20	30		FDEDRO
C#Cc1cncc(C(=O)N(C)C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC000988036121	833910438	/nfs/dbraw/zinc/91/04/38/833910438.db2.gz	JPRAXXYPGHFGNP-SZVBFZGTSA-N	1	0	368.481	1.324	20	30		FDEDRO
Cc1nnc(CC(=O)N[C@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)[C@@H]2C)[nH]1	ZINC001088557949	834311468	/nfs/dbraw/zinc/31/14/68/834311468.db2.gz	MWYDPJALQMFFSS-DYVFJYSZSA-N	1	0	368.441	1.337	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3ccncc3C)[C@H]2C)C1=O	ZINC001088568758	834828662	/nfs/dbraw/zinc/82/86/62/834828662.db2.gz	UFKCIYWWJNGCHK-NJAFHUGGSA-N	1	0	356.470	1.298	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)CCN1Cc1ccc(C#N)cc1F	ZINC001088574132	834910528	/nfs/dbraw/zinc/91/05/28/834910528.db2.gz	FGXDUIJANZOULM-COCCGSRQSA-N	1	0	372.444	1.691	20	30		FDEDRO
N#Cc1cccc([N+](=O)[O-])c1CN1CCC(O)(C[NH+]2CCOCC2)CC1	ZINC000459372459	835094632	/nfs/dbraw/zinc/09/46/32/835094632.db2.gz	LCMLFOBUBFXNCH-UHFFFAOYSA-N	1	0	360.414	1.126	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@H](OCC)[C@@H]2n2cccn2)CC1	ZINC000454471073	835515507	/nfs/dbraw/zinc/51/55/07/835515507.db2.gz	YECNKDQGOPLJCY-FGTMMUONSA-N	1	0	361.490	1.941	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)n(CCC#N)n1	ZINC000532996043	835613629	/nfs/dbraw/zinc/61/36/29/835613629.db2.gz	NJGRCCPDKUHBSU-UHFFFAOYSA-N	1	0	372.473	1.521	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3cc(C)no3)[C@@H]2C)CC1	ZINC000988506429	835657841	/nfs/dbraw/zinc/65/78/41/835657841.db2.gz	LQSFORGESUOKPJ-ZBFHGGJFSA-N	1	0	358.442	1.047	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088603834	835987266	/nfs/dbraw/zinc/98/72/66/835987266.db2.gz	ZENOXDJIJXLMRR-KYJSFNMBSA-N	1	0	370.453	1.146	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1CN(Cc2oc(CC)nc2C)C[C@H]1OC	ZINC001211994852	836028986	/nfs/dbraw/zinc/02/89/86/836028986.db2.gz	MGRPXXFIJOHQIM-BFYDXBDKSA-N	1	0	365.474	1.842	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)CC(C)(C)C2)CC[N@@H+]1C	ZINC000990705764	844132515	/nfs/dbraw/zinc/13/25/15/844132515.db2.gz	GWKAPKBKOOTGCS-KBAYOESNSA-N	1	0	359.514	1.873	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(CC)cc2)C[C@H]1OC	ZINC001212032165	836347153	/nfs/dbraw/zinc/34/71/53/836347153.db2.gz	NBRHVXQMJLWNLB-GUDVDZBRSA-N	1	0	362.470	1.300	20	30		FDEDRO
COc1ccc(CN2C[C@@H](NC(=O)[C@@H](C)C#N)[C@H](OC)C2)cc1Cl	ZINC001212041739	836357608	/nfs/dbraw/zinc/35/76/08/836357608.db2.gz	ZLCBPBLWQWIODB-SGIREYDYSA-N	1	0	351.834	1.824	20	30		FDEDRO
C=CCOCC(=O)OCC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1	ZINC000729758097	837173997	/nfs/dbraw/zinc/17/39/97/837173997.db2.gz	HBLAYVHJFISPCS-UHFFFAOYSA-N	1	0	360.454	1.775	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NC[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1OC	ZINC000261712141	837265596	/nfs/dbraw/zinc/26/55/96/837265596.db2.gz	VKFBDLMENIIEOT-CXAGYDPISA-N	1	0	363.458	1.998	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCOC2(CCC([NH2+]CCCO)CC2)C1	ZINC001105470871	837883635	/nfs/dbraw/zinc/88/36/35/837883635.db2.gz	LQAHLDGFNAVHOW-NNVNDSJASA-N	1	0	366.502	1.480	20	30		FDEDRO
Cc1cc(C(=O)N[C@@H]2CN(Cc3ccc(C#N)c(F)c3)C[C@@H]2O)cc(C)n1	ZINC001083492980	844314290	/nfs/dbraw/zinc/31/42/90/844314290.db2.gz	BOEDJBVYYBGDQN-MOPGFXCFSA-N	1	0	368.412	1.684	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)CC1	ZINC000938094959	838330400	/nfs/dbraw/zinc/33/04/00/838330400.db2.gz	LRAJHNWHTFHDJT-LCLWPZTBSA-N	1	0	369.509	1.651	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CCCO)C3)[C@@H]2C(C)C)cn1	ZINC001105669905	844325203	/nfs/dbraw/zinc/32/52/03/844325203.db2.gz	WLILHINCZCBATR-BNDYYXHWSA-N	1	0	371.481	1.025	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3ccnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105669940	844325830	/nfs/dbraw/zinc/32/58/30/844325830.db2.gz	WSDXTCRWVYOHOP-HNBVOPMISA-N	1	0	358.486	1.181	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1	ZINC000272331165	838432631	/nfs/dbraw/zinc/43/26/31/838432631.db2.gz	NCJRXZHWSNLWEQ-YOEHRIQHSA-N	1	0	370.453	1.094	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C)nc1	ZINC000989163852	838546147	/nfs/dbraw/zinc/54/61/47/838546147.db2.gz	IQXOSECSKOSNAQ-PBHICJAKSA-N	1	0	354.454	1.124	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C)nc1	ZINC000989163809	838546296	/nfs/dbraw/zinc/54/62/96/838546296.db2.gz	GRBGDYXIKLLIOK-HHXXYDBFSA-N	1	0	368.481	1.655	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C)cn1	ZINC000989168057	838565781	/nfs/dbraw/zinc/56/57/81/838565781.db2.gz	OCCIPMIXFUIURI-CCKFTAQKSA-N	1	0	366.465	1.124	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)CNC(C)(C)C[NH+](C)C	ZINC000459533207	838815639	/nfs/dbraw/zinc/81/56/39/838815639.db2.gz	GBPIAPCUDJLJMB-UHFFFAOYSA-N	1	0	363.506	1.881	20	30		FDEDRO
COCCN(CC#N)CC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1	ZINC000459533593	838816856	/nfs/dbraw/zinc/81/68/56/838816856.db2.gz	KPCSSJURWDEKHL-UHFFFAOYSA-N	1	0	374.485	1.201	20	30		FDEDRO
CN(C(=O)C[NH2+]C1(C(N)=O)C2CC3CC(C2)CC1C3)C1(C#N)CCCCC1	ZINC000459793486	838949793	/nfs/dbraw/zinc/94/97/93/838949793.db2.gz	VQYZDMPURZYTPM-UHFFFAOYSA-N	1	0	372.513	1.941	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)F)[C@H]2C(C)C)C[C@H]1O	ZINC001105585690	839999695	/nfs/dbraw/zinc/99/96/95/839999695.db2.gz	UZZATBACMWTKJW-GTACMHHNSA-N	1	0	369.481	1.003	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105587509	840026571	/nfs/dbraw/zinc/02/65/71/840026571.db2.gz	IRNJYSAEHAGBES-XCJLJZCSSA-N	1	0	371.481	1.311	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccco3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105588106	840049783	/nfs/dbraw/zinc/04/97/83/840049783.db2.gz	QWPJSWGTBFTZJU-QQTQMKHKSA-N	1	0	360.454	1.509	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CSC)[C@H]2C(C)C)C[C@H]1O	ZINC001105590703	840127240	/nfs/dbraw/zinc/12/72/40/840127240.db2.gz	MLZQQMUROKHFHM-XYVMCAHJSA-N	1	0	356.532	1.518	20	30		FDEDRO
O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1	ZINC000667542314	844538014	/nfs/dbraw/zinc/53/80/14/844538014.db2.gz	QPAIXSHDUQGHED-FXAWDEMLSA-N	1	0	374.444	1.630	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)noc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105594435	840592157	/nfs/dbraw/zinc/59/21/57/840592157.db2.gz	QCXPOPKOAMCRFR-ZTRFORPCSA-N	1	0	359.470	1.894	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C)nc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105598016	840766485	/nfs/dbraw/zinc/76/64/85/840766485.db2.gz	KCFPNQLDCGCJBS-ANTGDGSKSA-N	1	0	355.482	1.993	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCSC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105598581	840775636	/nfs/dbraw/zinc/77/56/36/840775636.db2.gz	TXHWTYYEGWFFKI-PSBWJHGTSA-N	1	0	368.543	1.355	20	30		FDEDRO
CC(C)CNC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000898324095	840944148	/nfs/dbraw/zinc/94/41/48/840944148.db2.gz	HOHCQFGTMCIOCY-LJQANCHMSA-N	1	0	373.497	1.977	20	30		FDEDRO
CC(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CSCC#N)[C@@H]2C(C)C)C[C@H]1O	ZINC001105601242	841045128	/nfs/dbraw/zinc/04/51/28/841045128.db2.gz	VEVXERHQBVQJKV-AHCXZYCDSA-N	1	0	353.532	1.865	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CNC(=O)C3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105603526	841163316	/nfs/dbraw/zinc/16/33/16/841163316.db2.gz	LDUQZIPCFSSQKM-HBXLWWENSA-N	1	0	363.502	1.055	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C)c1	ZINC000989801283	841468905	/nfs/dbraw/zinc/46/89/05/841468905.db2.gz	AZVQSAMYRDFEIH-KYJSFNMBSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=CCn1c([C@@H]2COCCO2)nnc1N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000669056873	861211022	/nfs/dbraw/zinc/21/10/22/861211022.db2.gz	WMXKXGNRCYAQNY-CVEARBPZSA-N	1	0	365.478	1.099	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3CCOCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105610102	841573391	/nfs/dbraw/zinc/57/33/91/841573391.db2.gz	HUBDERALQOJCFX-QCFAMHMHSA-N	1	0	362.514	1.793	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3n[nH]c(C)c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105610382	841640114	/nfs/dbraw/zinc/64/01/14/841640114.db2.gz	KEWQJWSTBIPEKV-ZTRFORPCSA-N	1	0	358.486	1.630	20	30		FDEDRO
C=CCOCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCCOC)C2)[C@H]1C(C)C	ZINC001105610801	841697664	/nfs/dbraw/zinc/69/76/64/841697664.db2.gz	NRFJUGVUXJRJDL-LFGUQSLTSA-N	1	0	368.518	1.582	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105611009	841748202	/nfs/dbraw/zinc/74/82/02/841748202.db2.gz	OGNQXWMBBNKZFO-RWQQGDIJSA-N	1	0	354.491	1.192	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)[C@H]2C)cn1	ZINC000990004801	841794995	/nfs/dbraw/zinc/79/49/95/841794995.db2.gz	HFGFHEFSPCKOBH-QAPCUYQASA-N	1	0	368.481	1.514	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CCN1C(=O)C#CC1CC1	ZINC000990009820	841821880	/nfs/dbraw/zinc/82/18/80/841821880.db2.gz	QGVOUWLQXMDKJB-UZLBHIALSA-N	1	0	367.493	1.923	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C)nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105611596	841892345	/nfs/dbraw/zinc/89/23/45/841892345.db2.gz	UHONLQUDDHMZKB-XSYGEPLQSA-N	1	0	358.486	1.332	20	30		FDEDRO
C=CCN1CC[C@@H](N2CC[C@H](NC(=O)c3cncc4[nH]ccc43)[C@H]2C)C1=O	ZINC001088707230	842063657	/nfs/dbraw/zinc/06/36/57/842063657.db2.gz	UPPRUHPYMDNDMH-RPVQJOFSSA-N	1	0	367.453	1.542	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@@H]1C(C)C	ZINC001105613856	842224957	/nfs/dbraw/zinc/22/49/57/842224957.db2.gz	CKFLLOBEJBKZKG-JYBIWHBTSA-N	1	0	368.518	1.582	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)/C=C\C3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105615584	842231137	/nfs/dbraw/zinc/23/11/37/842231137.db2.gz	XUVUPYYVFVAQHD-IRMFZONLSA-N	1	0	360.498	1.569	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619034	842234826	/nfs/dbraw/zinc/23/48/26/842234826.db2.gz	DTYFTZRTMXRAGY-MLYOOKFZSA-N	1	0	354.454	1.489	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3OCCCO3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619082	842235654	/nfs/dbraw/zinc/23/56/54/842235654.db2.gz	FKXYONJTTKVLLT-XNFNUYLZSA-N	1	0	364.486	1.129	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc[nH]c(=O)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619161	842235671	/nfs/dbraw/zinc/23/56/71/842235671.db2.gz	HAAANUFOILTPDR-CIWUYKSXSA-N	1	0	357.454	1.390	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3OCCCO3)[C@H]2C(C)C)C[C@H]1O	ZINC001105619083	842236053	/nfs/dbraw/zinc/23/60/53/842236053.db2.gz	FKXYONJTTKVLLT-YAJHFMINSA-N	1	0	364.486	1.129	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncccc3O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619303	842236618	/nfs/dbraw/zinc/23/66/18/842236618.db2.gz	IVHPORYYHHUPRU-ODZKNYGOSA-N	1	0	359.470	1.943	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(=O)NC)[C@H]2C(C)C)C[C@H]1O	ZINC001105622837	842249232	/nfs/dbraw/zinc/24/92/32/842249232.db2.gz	JATFXGIZLRBZNN-VVWQDTPRSA-N	1	0	351.491	1.055	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105623135	842250558	/nfs/dbraw/zinc/25/05/58/842250558.db2.gz	NGVJETYUPBIAEV-MLYOOKFZSA-N	1	0	354.454	1.489	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccn(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105626772	842258055	/nfs/dbraw/zinc/25/80/55/842258055.db2.gz	HJDGHDJWSIZRFZ-LFGUQSLTSA-N	1	0	360.502	1.505	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@@H]1C(C)C	ZINC001105631578	842264917	/nfs/dbraw/zinc/26/49/17/842264917.db2.gz	DVYCSRZJGRWWQW-ZTRFORPCSA-N	1	0	352.519	1.937	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc4n3CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637473	842271752	/nfs/dbraw/zinc/27/17/52/842271752.db2.gz	QIJJREFGTNABOA-WELBPKCISA-N	1	0	370.497	1.432	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cnccc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105637639	842272852	/nfs/dbraw/zinc/27/28/52/842272852.db2.gz	SZJRQLPWKIRSLH-KRXUUXHPSA-N	1	0	369.509	1.922	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn4c(n3)CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001105632666	842280627	/nfs/dbraw/zinc/28/06/27/842280627.db2.gz	MVQSKZSWJKMAAH-QSRMWPQZSA-N	1	0	370.497	1.432	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH]c(=O)cc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105656593	842487542	/nfs/dbraw/zinc/48/75/42/842487542.db2.gz	RHDKFBFRPLTQPB-REHHDOPLSA-N	1	0	371.481	1.699	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C3)[C@H]2C(C)C)CC1	ZINC001105657027	842490497	/nfs/dbraw/zinc/49/04/97/842490497.db2.gz	VELPKQHYUOOGJW-MXHNKVEKSA-N	1	0	363.502	1.184	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CC#CC)C3)[C@@H]2C(C)C)c1	ZINC001105657159	842491086	/nfs/dbraw/zinc/49/10/86/842491086.db2.gz	XGIFGYKDDWJHLY-XWSHUIEDSA-N	1	0	365.477	1.666	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnoc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105657612	842495417	/nfs/dbraw/zinc/49/54/17/842495417.db2.gz	ZRKYDEMNVXEAPQ-CIWUYKSXSA-N	1	0	359.470	1.840	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1	ZINC001060037372	842501954	/nfs/dbraw/zinc/50/19/54/842501954.db2.gz	FOHFWXGNMLDCJX-ZACQAIPSSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@@H]1O	ZINC001083470755	842635906	/nfs/dbraw/zinc/63/59/06/842635906.db2.gz	LWNLNRPVHOUNMW-LMCOJAPRSA-N	1	0	369.465	1.810	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc(C)nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105661032	842650617	/nfs/dbraw/zinc/65/06/17/842650617.db2.gz	CQGZGPHDYYRFDR-XCJLJZCSSA-N	1	0	370.497	1.696	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cn(C)ccc2=O)CCN1Cc1ccccc1C#N	ZINC001088734786	842665611	/nfs/dbraw/zinc/66/56/11/842665611.db2.gz	DJWZJCXMQDQGJB-KDOFPFPSSA-N	1	0	350.422	1.650	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3ncccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105661559	842718026	/nfs/dbraw/zinc/71/80/26/842718026.db2.gz	KDMKIHWKYORFEY-JYWFKMLOSA-N	1	0	370.497	1.399	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(=O)N(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105663536	842818985	/nfs/dbraw/zinc/81/89/85/842818985.db2.gz	UGVKQPMFEKLPGQ-VVWQDTPRSA-N	1	0	351.491	1.007	20	30		FDEDRO
Cn1ccc(C(=O)N2CC[C@H]3CN(Cc4ccccc4C#N)C[C@H]32)cc1=O	ZINC001075959652	842833016	/nfs/dbraw/zinc/83/30/16/842833016.db2.gz	LOXVXQBYCFXAPE-RBUKOAKNSA-N	1	0	362.433	1.603	20	30		FDEDRO
O=C(Nc1cccc(C#Cc2cccs2)c1)C(=O)NC1CC[NH2+]CC1	ZINC000667203914	843247064	/nfs/dbraw/zinc/24/70/64/843247064.db2.gz	VYTUJUOITMPQQW-UHFFFAOYSA-N	1	0	353.447	1.955	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)o3)[C@@H]2C1	ZINC001075987016	843256223	/nfs/dbraw/zinc/25/62/23/843256223.db2.gz	ZUWCVEGPXNJQSF-QWHCGFSZSA-N	1	0	353.444	1.040	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(=O)NCC3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105666784	843322386	/nfs/dbraw/zinc/32/23/86/843322386.db2.gz	JUILPYASEPIJRT-VIPLHTEESA-N	1	0	363.502	1.055	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH]c(C)cc3=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105666958	843368106	/nfs/dbraw/zinc/36/81/06/843368106.db2.gz	LXGKBVLAXBMSLU-VELGLUOQSA-N	1	0	371.481	1.286	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc(OC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667007	843438592	/nfs/dbraw/zinc/43/85/92/843438592.db2.gz	MPROSTHTYWTZCE-ZJSJBZJDSA-N	1	0	371.481	1.693	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCCC(N)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105667774	843690956	/nfs/dbraw/zinc/69/09/56/843690956.db2.gz	SWOOGMAHBGUDPP-YAJHFMINSA-N	1	0	365.518	1.574	20	30		FDEDRO
C=C[C@@](C)(O)C(=O)N1CCC(CC(=O)N2CCC([NH+](C)C)CC2)CC1	ZINC000667353451	843821433	/nfs/dbraw/zinc/82/14/33/843821433.db2.gz	VNCDALOUMQQITJ-LJQANCHMSA-N	1	0	351.491	1.105	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cncn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105668568	843834251	/nfs/dbraw/zinc/83/42/51/843834251.db2.gz	LCGMUXFLQGTEMH-RWQQGDIJSA-N	1	0	361.490	1.210	20	30		FDEDRO
CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)C1	ZINC000898566852	844854446	/nfs/dbraw/zinc/85/44/46/844854446.db2.gz	RYOSZHDUMWJHMQ-MOPGFXCFSA-N	1	0	354.454	1.316	20	30		FDEDRO
CC1(C)CC[N@H+](CCNC(=O)N2CCN(c3cnccc3C#N)CC2)C1	ZINC000898591358	844890371	/nfs/dbraw/zinc/89/03/71/844890371.db2.gz	QUGBVAAVQONREB-UHFFFAOYSA-N	1	0	356.474	1.517	20	30		FDEDRO
C[N@H+](C[C@@H](O)COc1ccc2c(c1)OCO2)C[C@@H](O)c1cccc(C#N)c1	ZINC000842147912	844938047	/nfs/dbraw/zinc/93/80/47/844938047.db2.gz	IVTOMLSTTLBMTE-SJLPKXTDSA-N	1	0	370.405	1.692	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCOCCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105674274	845473363	/nfs/dbraw/zinc/47/33/63/845473363.db2.gz	VIZXNYQFGBFKGN-IZBJGVDFSA-N	1	0	368.518	1.582	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)CC#Cc2ccccc2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2	ZINC001105676535	845955405	/nfs/dbraw/zinc/95/54/05/845955405.db2.gz	WXWBZTJJNPLFSH-KRXUUXHPSA-N	1	0	370.493	1.387	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(N(C)C)c2)C[C@@H]1O	ZINC001083525669	846386399	/nfs/dbraw/zinc/38/63/99/846386399.db2.gz	FTVYBCKWEWAZHS-QUCCMNQESA-N	1	0	368.481	1.715	20	30		FDEDRO
C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H]1C[C@H]1c1cncn1C	ZINC001076074169	847211448	/nfs/dbraw/zinc/21/14/48/847211448.db2.gz	OZPQDVPCDJOHGR-IACUBPJLSA-N	1	0	354.414	1.048	20	30		FDEDRO
Cc1noc(CCC(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)n1	ZINC001076109420	847306013	/nfs/dbraw/zinc/30/60/13/847306013.db2.gz	IGCBEDIZZFTECQ-ZWKOTPCHSA-N	1	0	365.437	1.915	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCN(CC)C4=O)C[C@H]32)cc1	ZINC001076119717	847314856	/nfs/dbraw/zinc/31/48/56/847314856.db2.gz	SRPJHIVMZWGEKZ-IPMKNSEASA-N	1	0	351.450	1.435	20	30		FDEDRO
C[NH+]=C(NCCn1cccn1)N(C)Cc1cc(Br)cn1C	ZINC000159468712	847341495	/nfs/dbraw/zinc/34/14/95/847341495.db2.gz	LLYWSIBQIPLNSR-UHFFFAOYSA-N	1	0	353.268	1.692	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4occc4CC)[C@@H]3C2)C1=O	ZINC001076212322	847548735	/nfs/dbraw/zinc/54/87/35/847548735.db2.gz	MSFCTPPYSMIMSC-YESZJQIVSA-N	1	0	357.454	1.775	20	30		FDEDRO
C[NH+]1CCC(C(=O)N2CC[C@H]3CN(CC#Cc4ccccc4)C[C@H]32)CC1	ZINC001076206479	847560255	/nfs/dbraw/zinc/56/02/55/847560255.db2.gz	QGNGIXLCIHWMOY-LEWJYISDSA-N	1	0	351.494	1.913	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cnc[nH]3)[C@@H]2C1	ZINC001076294393	847793286	/nfs/dbraw/zinc/79/32/86/847793286.db2.gz	JHPKDOKCMMUTCI-MAUKXSAKSA-N	1	0	365.437	1.565	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CC[C@H]3C[N@H+](C[C@@H]4CCCOC4)C[C@H]32)nn1	ZINC001076345064	847920099	/nfs/dbraw/zinc/92/00/99/847920099.db2.gz	MIIFIBIIYVSXPA-XYJFISCASA-N	1	0	359.474	1.427	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)CCN4CCOCC4)[C@@H]3C2)c1	ZINC001076364546	847962454	/nfs/dbraw/zinc/96/24/54/847962454.db2.gz	HJPJWQYKTQBWLB-VQTJNVASSA-N	1	0	368.481	1.313	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(Cc4cc(OC)ns4)C[C@H]32)cn1	ZINC001076476965	848242308	/nfs/dbraw/zinc/24/23/08/848242308.db2.gz	JUBDKBILUDXSMY-WMLDXEAASA-N	1	0	368.462	1.875	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4ccc(F)cc4)[C@@H]3C2)C1=O	ZINC001076521424	848321198	/nfs/dbraw/zinc/32/11/98/848321198.db2.gz	UBNMDKJYTSKBEA-YTQUADARSA-N	1	0	371.456	1.688	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4ccccc4F)[C@@H]3C2)C1=O	ZINC001076525076	848340532	/nfs/dbraw/zinc/34/05/32/848340532.db2.gz	VBJIPXFFVCUOHG-QXAKKESOSA-N	1	0	371.456	1.688	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)COc3ccc(C(N)=O)cc3)[C@@H]2C1	ZINC001076587542	848500887	/nfs/dbraw/zinc/50/08/87/848500887.db2.gz	OKKVPYAPICKQAW-FUHWJXTLSA-N	1	0	357.454	1.663	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)C[NH+]1CCCC1	ZINC001076597953	848533047	/nfs/dbraw/zinc/53/30/47/848533047.db2.gz	SRSAVKKOSIWYOF-BQFCYCMXSA-N	1	0	351.491	1.465	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(Cc4nccc(C)n4)C[C@H]32)CC1	ZINC001076604912	848554404	/nfs/dbraw/zinc/55/44/04/848554404.db2.gz	XPJAMHPJBATNFL-RBUKOAKNSA-N	1	0	367.497	1.163	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CC[N@@H+](C)CCC	ZINC001076739463	848910140	/nfs/dbraw/zinc/91/01/40/848910140.db2.gz	YUTJNXJWXFSRCE-BBWFWOEESA-N	1	0	353.507	1.711	20	30		FDEDRO
O=C(N[C@@H]1CN(CC#Cc2cccc(Cl)c2)C[C@H]1O)[C@@H]1CCCOC1	ZINC001076802923	849085020	/nfs/dbraw/zinc/08/50/20/849085020.db2.gz	YNPGMISJAOBHDE-KBAYOESNSA-N	1	0	362.857	1.279	20	30		FDEDRO
Cc1ccc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)cc1	ZINC001076855766	849213700	/nfs/dbraw/zinc/21/37/00/849213700.db2.gz	MFFMMGOVPSFQNT-RTBURBONSA-N	1	0	352.438	1.603	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCc4ccccc4C3)C[C@H]2O)c1	ZINC001076856038	849215044	/nfs/dbraw/zinc/21/50/44/849215044.db2.gz	YHCYHRARHOFPJY-VHKYSDTDSA-N	1	0	364.449	1.466	20	30		FDEDRO
CC(C)c1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1	ZINC001076906251	849301444	/nfs/dbraw/zinc/30/14/44/849301444.db2.gz	SFUWBSWBAWWPGD-RTBURBONSA-N	1	0	352.438	1.985	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(CC(=O)Nc2oc(C)c(C)c2C#N)CC1	ZINC000483210614	849383426	/nfs/dbraw/zinc/38/34/26/849383426.db2.gz	DRLGVHKDHFWKNS-UHFFFAOYSA-N	1	0	369.425	1.932	20	30		FDEDRO
CNC(=O)C[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccccc1	ZINC000483404555	849535340	/nfs/dbraw/zinc/53/53/40/849535340.db2.gz	OVQLRKULOMQSRR-SFHVURJKSA-N	1	0	350.422	1.641	20	30		FDEDRO
C=CCNC(=O)CN1CC[NH+](Cc2ccc(-n3ccnc3)cc2C)CC1	ZINC000483549107	849672706	/nfs/dbraw/zinc/67/27/06/849672706.db2.gz	YKRKUHYUWSWUKE-UHFFFAOYSA-N	1	0	353.470	1.601	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O	ZINC001077131482	849854839	/nfs/dbraw/zinc/85/48/39/849854839.db2.gz	CWGVNAPGPJODAX-VAMGGRTRSA-N	1	0	370.497	1.482	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C(C)C)C[C@H]1O	ZINC001077158947	849954208	/nfs/dbraw/zinc/95/42/08/849954208.db2.gz	GHHAEUOHTNHNAQ-QHAWAJNXSA-N	1	0	369.509	1.569	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]2O)cc1	ZINC001077246214	850235491	/nfs/dbraw/zinc/23/54/91/850235491.db2.gz	SXRGRHLYNBQFRC-RTBURBONSA-N	1	0	360.454	1.453	20	30		FDEDRO
C[NH+](C)CCn1nnnc1S[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000484629747	851014581	/nfs/dbraw/zinc/01/45/81/851014581.db2.gz	LNTBARASFQHJSG-OAHLLOKOSA-N	1	0	371.470	1.394	20	30		FDEDRO
COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000904412449	851202718	/nfs/dbraw/zinc/20/27/18/851202718.db2.gz	SROBUBJDUOIVAE-CYBMUJFWSA-N	1	0	372.404	1.725	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CN(CN3C(=O)N[C@](C)(c4cccc(C#N)c4)C3=O)C[C@]2(C)C1	ZINC000904435777	851219509	/nfs/dbraw/zinc/21/95/09/851219509.db2.gz	FSBMSVSFCHFYIQ-LSTHTHJFSA-N	1	0	367.453	1.166	20	30		FDEDRO
C=C1CCC(C(=O)N[C@H]2CC[N@H+](CCCN3C(=O)CNC3=O)[C@@H]2C)CC1	ZINC001088838552	851374668	/nfs/dbraw/zinc/37/46/68/851374668.db2.gz	PQHYCKSXXOBUIR-ZBFHGGJFSA-N	1	0	362.474	1.254	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2	ZINC000905204513	851747800	/nfs/dbraw/zinc/74/78/00/851747800.db2.gz	VUMPRGHHICMZMU-MRXNPFEDSA-N	1	0	372.387	1.959	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1nn(-c2cccc(F)c2F)c2c1CCC2	ZINC000913522941	862288028	/nfs/dbraw/zinc/28/80/28/862288028.db2.gz	GIZHHHMDIFATDA-UHFFFAOYSA-N	1	0	358.392	1.934	20	30		FDEDRO
Cc1c(C(=O)NCC#CC[NH+](C)C)sc2nc3n(c(=O)c12)CCCCC3	ZINC000913515942	862297146	/nfs/dbraw/zinc/29/71/46/862297146.db2.gz	UHUWHMBFEGLJLF-UHFFFAOYSA-N	1	0	372.494	1.788	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)cc1	ZINC000905447128	851924825	/nfs/dbraw/zinc/92/48/25/851924825.db2.gz	OPDFTXCCBUMANC-PWSUYJOCSA-N	1	0	354.275	1.446	20	30		FDEDRO
COC(=O)c1cc(C[NH2+]C[C@@H](O)COc2ccccc2C#N)n(C)c1C	ZINC000905441883	851945108	/nfs/dbraw/zinc/94/51/08/851945108.db2.gz	XBTISPCGNMWTIJ-MRXNPFEDSA-N	1	0	357.410	1.521	20	30		FDEDRO
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC#CC[NH+](C)C	ZINC000913518150	862302347	/nfs/dbraw/zinc/30/23/47/862302347.db2.gz	GDAYSHIOUNSRJP-QFBILLFUSA-N	1	0	355.482	1.667	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F	ZINC000913521785	862307076	/nfs/dbraw/zinc/30/70/76/862307076.db2.gz	NADNTPZEVRINTN-UHFFFAOYSA-N	1	0	366.458	1.837	20	30		FDEDRO
C[C@@H]1C[C@@]2(CC[C@@H](C[NH2+]CCS(=O)(=O)c3cccc(C#N)c3)O2)CO1	ZINC000905487489	851988004	/nfs/dbraw/zinc/98/80/04/851988004.db2.gz	SXFIZLDNJMJUMT-HFTRVMKXSA-N	1	0	364.467	1.648	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)COC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000913520994	862307384	/nfs/dbraw/zinc/30/73/84/862307384.db2.gz	HIAWWPKVFSMCFN-UHFFFAOYSA-N	1	0	353.463	1.084	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCO[C@@](C)(C[NH2+]C[C@H](O)CC2(C#N)CC2)C1	ZINC000905586588	852075980	/nfs/dbraw/zinc/07/59/80/852075980.db2.gz	NKJHBBUFNCDKLE-PBHICJAKSA-N	1	0	353.463	1.657	20	30		FDEDRO
COC(=O)[C@H]1C[C@@H]2C[C@H]([NH2+]CCS(=O)(=O)c3cccc(C#N)c3)[C@@H]2C1	ZINC000905654078	852121931	/nfs/dbraw/zinc/12/19/31/852121931.db2.gz	MBCQMRBLIZNUFA-WTTBNOFXSA-N	1	0	362.451	1.509	20	30		FDEDRO
Cn1cc([C@]2(C[NH2+]C[C@H](O)COc3ccc(CC#N)cc3)CCCO2)cn1	ZINC000905688522	852146673	/nfs/dbraw/zinc/14/66/73/852146673.db2.gz	XLDRHIGDWCINKY-AZUAARDMSA-N	1	0	370.453	1.521	20	30		FDEDRO
C[C@]1([C@H]2CCCN(Cn3cc4c(c(C#N)c3=O)CCCC4)C2)COC(=O)N1	ZINC000905700460	852181131	/nfs/dbraw/zinc/18/11/31/852181131.db2.gz	HMBWQVRYWAAHDI-MGPUTAFESA-N	1	0	370.453	1.767	20	30		FDEDRO
C[NH+]1CCN(c2cc(C(=O)N[C@@H](C#N)c3ccc(F)cc3)ccn2)CC1	ZINC000485749030	852826129	/nfs/dbraw/zinc/82/61/29/852826129.db2.gz	XLWWOMDGXVVTJP-KRWDZBQOSA-N	1	0	353.401	1.967	20	30		FDEDRO
COc1cc(OC)nc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)n1	ZINC000906440998	852872907	/nfs/dbraw/zinc/87/29/07/852872907.db2.gz	NCKHALOJBOGJLI-UHFFFAOYSA-N	1	0	369.425	1.569	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1	ZINC001060252882	862418843	/nfs/dbraw/zinc/41/88/43/862418843.db2.gz	PSGKQUIGXAVSRR-ZACQAIPSSA-N	1	0	363.502	1.274	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2ccsc2C#N)cc1	ZINC000906602003	853071508	/nfs/dbraw/zinc/07/15/08/853071508.db2.gz	LVOIRJMYMIVNFC-UHFFFAOYSA-N	1	0	356.451	1.841	20	30		FDEDRO
CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(C#N)CC[NH+](C)CC1	ZINC000906604878	853075448	/nfs/dbraw/zinc/07/54/48/853075448.db2.gz	QLYCQWWGCXWOTM-CYBMUJFWSA-N	1	0	370.519	1.737	20	30		FDEDRO
O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N1CCC[C@@]12CC[NH2+]C2	ZINC000906769159	853291885	/nfs/dbraw/zinc/29/18/85/853291885.db2.gz	ZTMXRHVUJTZHBQ-QFIPXVFZSA-N	1	0	374.444	1.774	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CNS(=O)(=O)c2ccc(C#N)cn2)cc1	ZINC000906844746	853394127	/nfs/dbraw/zinc/39/41/27/853394127.db2.gz	GXZSAZODKRRUIR-UHFFFAOYSA-N	1	0	360.439	1.372	20	30		FDEDRO
C[C@@H]1C[C@H](C)C[N@@H+](CCCCNS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000906845077	853395059	/nfs/dbraw/zinc/39/50/59/853395059.db2.gz	ODSRYCHVFSHFNC-GASCZTMLSA-N	1	0	350.488	1.990	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cn(C)nc1C1CCCC1	ZINC000907428630	854197503	/nfs/dbraw/zinc/19/75/03/854197503.db2.gz	GSUQZJKINYFXNG-UHFFFAOYSA-N	1	0	364.515	1.796	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCNC(=O)[C@@H]1c1c(C)nc2ccccn21	ZINC000907584737	854406849	/nfs/dbraw/zinc/40/68/49/854406849.db2.gz	UNZDCXYZKQMPEK-KRWDZBQOSA-N	1	0	355.442	1.150	20	30		FDEDRO
O=C(NO)c1ccc(CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)cc1	ZINC000907812682	854680174	/nfs/dbraw/zinc/68/01/74/854680174.db2.gz	OZHKGCSORTWGTH-INIZCTEOSA-N	1	0	363.483	1.639	20	30		FDEDRO
C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NC1CC[NH+](CCOC)CC1	ZINC000668632835	854789117	/nfs/dbraw/zinc/78/91/17/854789117.db2.gz	BARFBOGBPKMOCP-RDJZCZTQSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1	ZINC000669251178	862672016	/nfs/dbraw/zinc/67/20/16/862672016.db2.gz	BQLIODSRQJUNRT-KZNAEPCWSA-N	1	0	365.518	1.855	20	30		FDEDRO
CON=C(C(=O)NC1CCC2(CC1)CC[NH+](C)CC2)c1csc(N)n1	ZINC000908492372	855474489	/nfs/dbraw/zinc/47/44/89/855474489.db2.gz	BEIXWBXOTRBASN-UHFFFAOYSA-N	1	0	365.503	1.847	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)OCC(C)C)C2	ZINC001112277595	855483637	/nfs/dbraw/zinc/48/36/37/855483637.db2.gz	FDCTXTGAGIYUFT-HBFSDRIKSA-N	1	0	350.503	1.916	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC(O)(CC=C)CC1	ZINC000908694867	855684338	/nfs/dbraw/zinc/68/43/38/855684338.db2.gz	HAHFSUFGERGYCK-SJORKVTESA-N	1	0	373.501	1.907	20	30		FDEDRO
COCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[N@H+](C)C(C)(C)C1	ZINC000909118248	856178895	/nfs/dbraw/zinc/17/88/95/856178895.db2.gz	BUXGAKVWRUBHMO-UHFFFAOYSA-N	1	0	354.458	1.994	20	30		FDEDRO
C=C1CCC(CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1	ZINC000916073347	881345283	/nfs/dbraw/zinc/34/52/83/881345283.db2.gz	TXPBDQZWKQHUTJ-QGZVFWFLSA-N	1	0	350.507	1.975	20	30		FDEDRO
CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N(C)Cc2cccc(C#N)c2)CC1	ZINC000910566310	857326111	/nfs/dbraw/zinc/32/61/11/857326111.db2.gz	DSNJBQMMRSDJAR-UHFFFAOYSA-N	1	0	368.481	1.994	20	30		FDEDRO
CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2cc(C#N)cs2)C1	ZINC000910672002	857490213	/nfs/dbraw/zinc/49/02/13/857490213.db2.gz	BDAJLUXXBNNJSH-AWEZNQCLSA-N	1	0	362.499	1.768	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1C	ZINC001105753492	862933168	/nfs/dbraw/zinc/93/31/68/862933168.db2.gz	ZNTUDXNDGOYOPC-SJLPKXTDSA-N	1	0	365.518	1.522	20	30		FDEDRO
C#CCN(C(=O)C(=O)N(C)Cc1ccccc1N(C)C)C1CC[NH+](C)CC1	ZINC000910882045	857830630	/nfs/dbraw/zinc/83/06/30/857830630.db2.gz	BNDLDEJCHBINFO-UHFFFAOYSA-N	1	0	370.497	1.267	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(C(C)(C)C[NH3+])CC1	ZINC000910952131	857923213	/nfs/dbraw/zinc/92/32/13/857923213.db2.gz	HTYLGCGKFCYVNG-GDBMZVCRSA-N	1	0	351.491	1.307	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]CC2)CC1	ZINC000911013776	858038520	/nfs/dbraw/zinc/03/85/20/858038520.db2.gz	DNZYJHYCQWFMMM-INIZCTEOSA-N	1	0	351.491	1.324	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1	ZINC000911350245	858500392	/nfs/dbraw/zinc/50/03/92/858500392.db2.gz	DJMRZBYASDDICI-OAHLLOKOSA-N	1	0	351.491	1.370	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@@H](O)C2)s1	ZINC001083645051	858582735	/nfs/dbraw/zinc/58/27/35/858582735.db2.gz	IKSBVOFYOISOPX-SJORKVTESA-N	1	0	367.434	1.243	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N2CCCC[C@H]2C2(C[NH3+])CCC2)c1	ZINC000911403714	858592673	/nfs/dbraw/zinc/59/26/73/858592673.db2.gz	RUXFEXQVOJEKCR-KRWDZBQOSA-N	1	0	372.444	1.824	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)cc1C#N	ZINC000911433098	858614662	/nfs/dbraw/zinc/61/46/62/858614662.db2.gz	WEKFYBXVNILEDZ-PKOBYXMFSA-N	1	0	368.481	1.864	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21	ZINC000911578692	858805886	/nfs/dbraw/zinc/80/58/86/858805886.db2.gz	ILVVINNWCMLPPX-JXFKEZNVSA-N	1	0	357.454	1.783	20	30		FDEDRO
C#CCN(CC(=O)OC(C)(C)C)C(=O)C1CCC([NH+]2CCOCC2)CC1	ZINC000912399389	859716681	/nfs/dbraw/zinc/71/66/81/859716681.db2.gz	AYDXQVWWJIRCIC-UHFFFAOYSA-N	1	0	364.486	1.681	20	30		FDEDRO
C=CCn1c(CCCNC(=O)C(C)(C)C)nnc1N1CC[NH+](CC)CC1	ZINC000669018692	860178967	/nfs/dbraw/zinc/17/89/67/860178967.db2.gz	QSPDYXVKKQZIIF-UHFFFAOYSA-N	1	0	362.522	1.701	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)cn2)C[C@H]1C	ZINC001106869385	881510724	/nfs/dbraw/zinc/51/07/24/881510724.db2.gz	BIEKEWZGLZEENA-IAGOWNOFSA-N	1	0	369.469	1.768	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CC(O)(c2ccc(Br)cc2)C1	ZINC000912778850	860219599	/nfs/dbraw/zinc/21/95/99/860219599.db2.gz	YQHCQKXJOFLFON-UHFFFAOYSA-N	1	0	353.260	1.987	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C	ZINC000994255455	881584842	/nfs/dbraw/zinc/58/48/42/881584842.db2.gz	VMXYTMVXIDIACY-QRQLOZEOSA-N	1	0	359.514	1.731	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@H](CO)[C@@H]1C	ZINC000669032704	860836879	/nfs/dbraw/zinc/83/68/79/860836879.db2.gz	SSSVBRMLVYQNKY-HZMVEIRTSA-N	1	0	361.490	1.597	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCCN(CC)C(=O)C1	ZINC000669032709	860836943	/nfs/dbraw/zinc/83/69/43/860836943.db2.gz	SWVAZELYXROTJM-CVEARBPZSA-N	1	0	374.489	1.058	20	30		FDEDRO
N#Cc1ccc(N2C[C@@H](C(=O)N3CC[C@@H]([NH+]4CCC4)C3)CC2=O)cc1Cl	ZINC000912904026	861037056	/nfs/dbraw/zinc/03/70/56/861037056.db2.gz	OJNPEZUFZLEWTD-GOEBONIOSA-N	1	0	372.856	1.871	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC(C)C)C[C@H]1C	ZINC001105778399	863107646	/nfs/dbraw/zinc/10/76/46/863107646.db2.gz	FPVOPTOCNUWAIH-QLFBSQMISA-N	1	0	352.479	1.117	20	30		FDEDRO
CC(=O)N[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccc(F)cc2)[C@H](C)C1	ZINC001105793451	863217645	/nfs/dbraw/zinc/21/76/45/863217645.db2.gz	GXOMWWJNASOISB-IIDMSEBBSA-N	1	0	359.445	1.386	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@H](O)COc2cccc3[nH]ccc32)CC1	ZINC000760832310	863317862	/nfs/dbraw/zinc/31/78/62/863317862.db2.gz	XGVSFFAWEVGZLQ-INIZCTEOSA-N	1	0	355.438	1.369	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CC(C)(C)C)C[C@H]1C	ZINC001105828017	863382475	/nfs/dbraw/zinc/38/24/75/863382475.db2.gz	CIGFTRGQUFCXFM-HZPDHXFCSA-N	1	0	350.507	1.869	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)SC)C[C@H]1C	ZINC001105851426	863491127	/nfs/dbraw/zinc/49/11/27/863491127.db2.gz	GTQKVKCEHZAGBY-OWCLPIDISA-N	1	0	355.548	1.847	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]Cc1nnc2n1CCCC2	ZINC001105849308	863497031	/nfs/dbraw/zinc/49/70/31/863497031.db2.gz	NXBXQIZYIGFGGI-ZIAGYGMSSA-N	1	0	362.503	1.055	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)OCC)C[C@H]1C	ZINC001105855410	863511417	/nfs/dbraw/zinc/51/14/17/863511417.db2.gz	MRBLUDGTVFZUTL-BRWVUGGUSA-N	1	0	353.507	1.520	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)COC(C)C)C[C@H]1C	ZINC001105902682	863813216	/nfs/dbraw/zinc/81/32/16/863813216.db2.gz	GIGBTMIBIBZHTJ-KZNAEPCWSA-N	1	0	367.534	1.909	20	30		FDEDRO
CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000761053410	863951838	/nfs/dbraw/zinc/95/18/38/863951838.db2.gz	QHPGVXKLSZHQLJ-GFCCVEGCSA-N	1	0	350.394	1.513	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccnn2CCC)[C@H](C)C1	ZINC001105923114	864028911	/nfs/dbraw/zinc/02/89/11/864028911.db2.gz	MTDCRKONXKVCSC-HZPDHXFCSA-N	1	0	361.490	1.882	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCCCCC2)[C@H](C)C1	ZINC001105938284	864132262	/nfs/dbraw/zinc/13/22/62/864132262.db2.gz	OAOUUFXMLJPVKH-IAGOWNOFSA-N	1	0	365.518	1.712	20	30		FDEDRO
CCS(=O)(=O)CCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C	ZINC001105946148	864188764	/nfs/dbraw/zinc/18/87/64/864188764.db2.gz	MELSVNLGHUQTAD-BZUAXINKSA-N	1	0	357.520	1.435	20	30		FDEDRO
COc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)c1	ZINC001105951364	864210358	/nfs/dbraw/zinc/21/03/58/864210358.db2.gz	DAEPXRBTEFXVEX-RBSFLKMASA-N	1	0	358.442	1.477	20	30		FDEDRO
COCCOCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)[C@H](C)C1	ZINC001105951717	864210747	/nfs/dbraw/zinc/21/07/47/864210747.db2.gz	IUUJQUOXJBUEFW-RHSMWYFYSA-N	1	0	363.433	1.544	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2ccccc2F)[C@H](C)C1	ZINC001105951517	864210759	/nfs/dbraw/zinc/21/07/59/864210759.db2.gz	FTYZFHJAXWRMPA-SQWLQELKSA-N	1	0	360.433	1.286	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCc3ccccc3C2)[C@H](C)C1	ZINC001105952330	864212501	/nfs/dbraw/zinc/21/25/01/864212501.db2.gz	VSDHYZQJXQDWNU-FRQCXROJSA-N	1	0	368.481	1.415	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cncc(C)c2)C[C@H]1C	ZINC001105972732	864285423	/nfs/dbraw/zinc/28/54/23/864285423.db2.gz	BSNAHJMCWVTRQA-SJLPKXTDSA-N	1	0	371.485	1.450	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCNC(=O)CC2)[C@H](C)C1	ZINC001105982029	864326827	/nfs/dbraw/zinc/32/68/27/864326827.db2.gz	KCYAMWQBINEWTM-FGTMMUONSA-N	1	0	365.518	1.570	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3cccc(OC)c3)C2)CC1	ZINC000916575327	881763999	/nfs/dbraw/zinc/76/39/99/881763999.db2.gz	MRZHWHSNWGYEFL-QGZVFWFLSA-N	1	0	356.470	1.671	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(CC(=O)N3CCCCCC3)[C@@H]2C)c1	ZINC001088846620	864552000	/nfs/dbraw/zinc/55/20/00/864552000.db2.gz	XVKHPOQGXDHVOJ-APWZRJJASA-N	1	0	368.481	1.658	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cccc(=O)n2C)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088847618	864560520	/nfs/dbraw/zinc/56/05/20/864560520.db2.gz	CTJIQDLHEWTTCM-PBHICJAKSA-N	1	0	350.422	1.650	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C(F)=C(C)C)C[C@H]1C	ZINC001106005090	864563789	/nfs/dbraw/zinc/56/37/89/864563789.db2.gz	DWZYKOPRBNWDNG-MGPQQGTHSA-N	1	0	368.453	1.334	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]CCOC[C@@H]1CCCO1	ZINC001106016392	864639453	/nfs/dbraw/zinc/63/94/53/864639453.db2.gz	WTJSIHPIAWCOQR-INMHGKMJSA-N	1	0	360.458	1.380	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]CC(=O)N1CCCC[C@@H]1C	ZINC001106016993	864640755	/nfs/dbraw/zinc/64/07/55/864640755.db2.gz	BSNZNRNVSGWTOY-OWCLPIDISA-N	1	0	371.485	1.585	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]CC(=O)N1CCCC[C@H]1C	ZINC001106024791	864793441	/nfs/dbraw/zinc/79/34/41/864793441.db2.gz	KFVUZJDBQKLZDT-BFYDXBDKSA-N	1	0	371.485	1.585	20	30		FDEDRO
Cc1nc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)n1	ZINC001106025689	864814628	/nfs/dbraw/zinc/81/46/28/864814628.db2.gz	CLBIRLSYUPITHE-MLGOLLRUSA-N	1	0	355.446	1.093	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@H+]2CC[C@@H](C)C2)cc1	ZINC001004872230	881810341	/nfs/dbraw/zinc/81/03/41/881810341.db2.gz	BMQLFGOFCABIHS-XLNTUCKNSA-N	1	0	365.477	1.871	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2c(C)nsc2C)[C@H](C)C1	ZINC001106029237	864877255	/nfs/dbraw/zinc/87/72/55/864877255.db2.gz	MFORLYDNIVCIIX-IUODEOHRSA-N	1	0	362.499	1.084	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2nc3ccccc3o2)[C@H](C)C1	ZINC001106029563	864884982	/nfs/dbraw/zinc/88/49/82/864884982.db2.gz	YGQNLBCWIGUASK-HUUCEWRRSA-N	1	0	368.437	1.151	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COCC(C)C)[C@H](C)C1	ZINC001106031073	864903311	/nfs/dbraw/zinc/90/33/11/864903311.db2.gz	PDJYNLHJEPKMAR-GUDVDZBRSA-N	1	0	352.519	1.898	20	30		FDEDRO
CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2C#N)[C@H](C)C1	ZINC001106033304	864922438	/nfs/dbraw/zinc/92/24/38/864922438.db2.gz	JXDGEGZBHWURSN-CZUORRHYSA-N	1	0	360.433	1.408	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCOC(C)C)[C@H](C)C1	ZINC001106057197	865053291	/nfs/dbraw/zinc/05/32/91/865053291.db2.gz	WVVVRAGBELIXOZ-QZTJIDSGSA-N	1	0	365.518	1.405	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NCC(F)(F)F)[C@H](C)C1	ZINC001106057278	865061878	/nfs/dbraw/zinc/06/18/78/865061878.db2.gz	ZDQGSYKQXUYUSV-MGPQQGTHSA-N	1	0	361.408	1.541	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3ccc(CC)cn3)[C@H]2C)C1=O	ZINC001088870912	865062451	/nfs/dbraw/zinc/06/24/51/865062451.db2.gz	NDIOQFWLDUHDBB-MNEFBYGVSA-N	1	0	370.497	1.552	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2ncc(Cl)n2C)[C@H](C)C1	ZINC001106059300	865069891	/nfs/dbraw/zinc/06/98/91/865069891.db2.gz	QWNGJZQBVPLLPP-XNJGSVPQSA-N	1	0	354.882	1.585	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2csc(COC)n2)[C@H](C)C1	ZINC001106058585	865072076	/nfs/dbraw/zinc/07/20/76/865072076.db2.gz	FQGMGRLDMZDYOS-HBUWYVDXSA-N	1	0	367.515	1.801	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2csnc2OC)[C@H](C)C1	ZINC001106064765	865108764	/nfs/dbraw/zinc/10/87/64/865108764.db2.gz	HRNUBSQBWHHCIK-PBFPGSCMSA-N	1	0	353.488	1.663	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CCn2cc(Cl)cn2)[C@H](C)C1	ZINC001106065321	865111176	/nfs/dbraw/zinc/11/11/76/865111176.db2.gz	WGDXTRRARCTBHL-CKEIUWERSA-N	1	0	354.882	1.548	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCCS(=O)(=O)C2)[C@H](C)C1	ZINC001106066223	865123330	/nfs/dbraw/zinc/12/33/30/865123330.db2.gz	ZRHXETSIQDXBGJ-BRWVUGGUSA-N	1	0	354.516	1.299	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC2(OC)CCC2)C[C@H]1C	ZINC001106067808	865138165	/nfs/dbraw/zinc/13/81/65/865138165.db2.gz	IRVAJCFWOMPDCV-BZUAXINKSA-N	1	0	351.491	1.320	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2cccnc2)[C@H](C)C1	ZINC001106068850	865142483	/nfs/dbraw/zinc/14/24/83/865142483.db2.gz	QDVFMTXAGYZEGR-SJLPKXTDSA-N	1	0	356.470	1.185	20	30		FDEDRO
C[NH+](C)CCNC(=O)C1CCN(C(=O)Cc2ccc(OCC#N)cc2)CC1	ZINC000171880466	865385202	/nfs/dbraw/zinc/38/52/02/865385202.db2.gz	RVWKPBHKSXCFGI-UHFFFAOYSA-N	1	0	372.469	1.048	20	30		FDEDRO
C=CCC(C)(C)C(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001061590847	881871686	/nfs/dbraw/zinc/87/16/86/881871686.db2.gz	AMDGYSMSHIWRIX-OWCLPIDISA-N	1	0	351.491	1.273	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(CC)c(CC)o2)C[C@H]1C	ZINC001106883845	881895864	/nfs/dbraw/zinc/89/58/64/881895864.db2.gz	LVHJYGOSWCPIQF-GDBMZVCRSA-N	1	0	359.470	1.452	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(CC(C)C)c[nH]2)C[C@H]1C	ZINC001106884069	881896795	/nfs/dbraw/zinc/89/67/95/881896795.db2.gz	WXIZZMULQGISFO-NVXWUHKLSA-N	1	0	358.486	1.260	20	30		FDEDRO
N#Cc1ccccc1CN1C(=O)CN(CN2CC[C@@H]([NH+]3CC=CC3)C2)C1=O	ZINC000172931994	865845540	/nfs/dbraw/zinc/84/55/40/865845540.db2.gz	IPYDHUFBNOBVAX-GOSISDBHSA-N	1	0	365.437	1.226	20	30		FDEDRO
C=CCN1CC[C@@H](N2CC[C@H](NC(=O)c3coc(CCC)n3)[C@H]2C)C1=O	ZINC001088978963	865868710	/nfs/dbraw/zinc/86/87/10/865868710.db2.gz	MXXHKUPSKLLOOS-IJEWVQPXSA-N	1	0	360.458	1.607	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](CCc2ccns2)[C@@H]1C	ZINC001088989732	865944515	/nfs/dbraw/zinc/94/45/15/865944515.db2.gz	KWNGAQDEXIQDLE-PBHICJAKSA-N	1	0	370.478	1.985	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCc2ccc(OC)cc2)C[C@H]1OC	ZINC001212193669	866000252	/nfs/dbraw/zinc/00/02/52/866000252.db2.gz	HTIGNMNJDKBSAW-QWFCFKBJSA-N	1	0	362.470	1.380	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cccnc2C(N)=O)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001089055458	866343978	/nfs/dbraw/zinc/34/39/78/866343978.db2.gz	LSCIIFMNPYEBPD-DYVFJYSZSA-N	1	0	363.421	1.445	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cccc(C(N)=O)n2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001089066918	866455809	/nfs/dbraw/zinc/45/58/09/866455809.db2.gz	HAFYRYUFXLGEHV-CJNGLKHVSA-N	1	0	363.421	1.445	20	30		FDEDRO
C[NH+](C)CCC(=O)N1C[C@@H](Nc2cccc(F)c2C#N)[C@@H](n2ccnn2)C1	ZINC001089092157	866908190	/nfs/dbraw/zinc/90/81/90/866908190.db2.gz	DNYLMUJMRXTTKF-SJORKVTESA-N	1	0	371.420	1.105	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](OC)C1	ZINC000946775442	882055848	/nfs/dbraw/zinc/05/58/48/882055848.db2.gz	JBKVWUINACWRSQ-HZPDHXFCSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=CCCOCCNC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000535254121	867550627	/nfs/dbraw/zinc/55/06/27/867550627.db2.gz	BEMXTHDNWLLLNK-IBGZPJMESA-N	1	0	360.502	1.867	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1	ZINC000992072286	867681167	/nfs/dbraw/zinc/68/11/67/867681167.db2.gz	YXMKHBAUBWTIIP-JQHSSLGASA-N	1	0	363.502	1.559	20	30		FDEDRO
COc1ccnc(C(=N)Nc2ccc([N+](=O)[O-])c(OCC[NH+](C)C)c2)n1	ZINC001168428613	867755089	/nfs/dbraw/zinc/75/50/89/867755089.db2.gz	VJYWHXQYZIVRTD-UHFFFAOYSA-N	1	0	360.374	1.371	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCS(C)(=O)=O)C1	ZINC001112313760	867888734	/nfs/dbraw/zinc/88/87/34/867888734.db2.gz	NPMFMZKCQWDGBZ-HKUYNNGSSA-N	1	0	368.543	1.833	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]CCCNC(=O)C(F)(F)F)[C@H](C)C1	ZINC001106099418	868051977	/nfs/dbraw/zinc/05/19/77/868051977.db2.gz	HVPDQAHYFOFAJS-ZIAGYGMSSA-N	1	0	361.408	1.399	20	30		FDEDRO
Cc1csc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)n1	ZINC001106101052	868087704	/nfs/dbraw/zinc/08/77/04/868087704.db2.gz	GAXGAJLQEHPZDZ-IUODEOHRSA-N	1	0	360.483	1.488	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)[C@H](C)C1	ZINC001106102407	868113444	/nfs/dbraw/zinc/11/34/44/868113444.db2.gz	QVBZFPKANPOGFS-IXDOHACOSA-N	1	0	354.516	1.155	20	30		FDEDRO
Cc1cc(NC(=O)[C@H](C)[NH2+]C[C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2C)on1	ZINC001106105609	868141591	/nfs/dbraw/zinc/14/15/91/868141591.db2.gz	ZOSMQMRYWDTHPP-VNQPRFMTSA-N	1	0	360.458	1.654	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(NC(=O)[C@H]4C[C@H]4C(N)=O)CCC[C@H]23)cc1F	ZINC000992177570	868174052	/nfs/dbraw/zinc/17/40/52/868174052.db2.gz	JZOQSATVRZEKOL-RPWFAHAXSA-N	1	0	370.428	1.432	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@H+](CC(=O)N1CCCC1)CC2	ZINC000992184780	868215874	/nfs/dbraw/zinc/21/58/74/868215874.db2.gz	XNTCJAMXHNZADW-YLAKUSLOSA-N	1	0	361.486	1.313	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(NC(=O)[C@H]4C[C@H]4C(N)=O)CCC[C@@H]23)cc1	ZINC000992203560	868322001	/nfs/dbraw/zinc/32/20/01/868322001.db2.gz	ARBRNLNMTLPFRR-YZLZLFLDSA-N	1	0	352.438	1.293	20	30		FDEDRO
N#Cc1cccc(NC(=O)C2CC[NH+](CCN3CCCOCC3)CC2)c1	ZINC000463106207	868344613	/nfs/dbraw/zinc/34/46/13/868344613.db2.gz	MXPOKCMSGHPEEP-UHFFFAOYSA-N	1	0	356.470	1.931	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)[C@H](C)C1	ZINC001106111965	868395367	/nfs/dbraw/zinc/39/53/67/868395367.db2.gz	UJFJRGNKDOZDMM-IIDMSEBBSA-N	1	0	357.429	1.920	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cnon3)[C@H](C)C2)cc1	ZINC001106114246	868483038	/nfs/dbraw/zinc/48/30/38/868483038.db2.gz	ZGCLMWDWVBBRAT-NVXWUHKLSA-N	1	0	368.437	1.970	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCC[C@@H]2C)[C@H](C)C1	ZINC001106114519	868493642	/nfs/dbraw/zinc/49/36/42/868493642.db2.gz	AOSZQPNVMIESOD-FGTMMUONSA-N	1	0	363.502	1.111	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C(=O)NC)cc2)[C@H](C)C1	ZINC001106114612	868498092	/nfs/dbraw/zinc/49/80/92/868498092.db2.gz	FNMCNMRFKMSPIH-VQIMIIECSA-N	1	0	371.481	1.270	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2noc3c2CCCC3)[C@H](C)C1	ZINC001106115302	868521669	/nfs/dbraw/zinc/52/16/69/868521669.db2.gz	SILMZEABKMGBRX-HZPDHXFCSA-N	1	0	359.470	1.777	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@H]1[N@H+](CCc1ccnn1C)CC2	ZINC000992238551	868542612	/nfs/dbraw/zinc/54/26/12/868542612.db2.gz	FLCWEBXPDYIWFF-AJYBTWMASA-N	1	0	358.486	1.667	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1cnc(C)nc1)CC2	ZINC000992239569	868548561	/nfs/dbraw/zinc/54/85/61/868548561.db2.gz	JTYXGOWBCPCLKQ-AJYBTWMASA-N	1	0	356.470	1.989	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(OCC)s2)[C@H](C)C1	ZINC001106116671	868579114	/nfs/dbraw/zinc/57/91/14/868579114.db2.gz	KPQBOTQGHDYJJH-HZSPNIEDSA-N	1	0	366.487	1.159	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(CCC)s2)[C@H](C)C1	ZINC001106116882	868581424	/nfs/dbraw/zinc/58/14/24/868581424.db2.gz	RGENIRDKVOUIOO-RBSFLKMASA-N	1	0	364.515	1.713	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]CCc2ccc3c(c2)CCO3)[C@H](C)C1	ZINC001106117632	868602504	/nfs/dbraw/zinc/60/25/04/868602504.db2.gz	WMTWNFBQWGFKKF-YLJYHZDGSA-N	1	0	370.493	1.888	20	30		FDEDRO
C=C(C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1cncn1C	ZINC001061630881	882241339	/nfs/dbraw/zinc/24/13/39/882241339.db2.gz	GNCFHXBKOTZMSJ-BZUAXINKSA-N	1	0	360.458	1.224	20	30		FDEDRO
CCCC[N@H+](C)CCNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000464804849	869023204	/nfs/dbraw/zinc/02/32/04/869023204.db2.gz	IGGJQASRMGMAMW-OAHLLOKOSA-N	1	0	359.478	1.300	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(c3ccccn3)CC2)C[C@H]1C	ZINC001106129501	869184557	/nfs/dbraw/zinc/18/45/57/869184557.db2.gz	BUHBYAPEBDHIIL-BRWVUGGUSA-N	1	0	370.497	1.488	20	30		FDEDRO
N#Cc1c(Br)cccc1OCC(=O)NC12CC[NH+](CC1)C2	ZINC000913635002	869267276	/nfs/dbraw/zinc/26/72/76/869267276.db2.gz	MVTZPKBECMVIIT-UHFFFAOYSA-N	1	0	350.216	1.664	20	30		FDEDRO
Cc1c(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccn2)cnn1CCC#N	ZINC000913665084	869332728	/nfs/dbraw/zinc/33/27/28/869332728.db2.gz	RVOZAYPCYGBGHY-UHFFFAOYSA-N	1	0	353.430	1.504	20	30		FDEDRO
CC(C)[NH+]1CCN(CCCC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1	ZINC000913771978	869607107	/nfs/dbraw/zinc/60/71/07/869607107.db2.gz	VAGJNKNPFUNUMM-HXUWFJFHSA-N	1	0	354.498	1.948	20	30		FDEDRO
C#CCN(C(=O)NCCc1ccc(NC(C)=O)cc1)C1CC[NH+](C)CC1	ZINC000916710272	882334839	/nfs/dbraw/zinc/33/48/39/882334839.db2.gz	SCGLXRXWVPDDFG-UHFFFAOYSA-N	1	0	356.470	1.927	20	30		FDEDRO
C[C@@H]1CN(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C[C@@H](C)N1CC#N	ZINC000913889491	869912993	/nfs/dbraw/zinc/91/29/93/869912993.db2.gz	ZEZNSCXSRJYODU-LMMKCTJWSA-N	1	0	357.502	1.787	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCNC(=O)c2ccc(C)c(F)c2)CC1	ZINC000914004015	870312513	/nfs/dbraw/zinc/31/25/13/870312513.db2.gz	ZCJVDRGOVIPOSE-UHFFFAOYSA-N	1	0	360.433	1.261	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)nc1	ZINC000994384413	882455133	/nfs/dbraw/zinc/45/51/33/882455133.db2.gz	ORGIEBAFSWVGIX-CRAIPNDOSA-N	1	0	368.481	1.229	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCc2nnn(C)c2C1)C(C)C	ZINC000914127618	870949543	/nfs/dbraw/zinc/94/95/43/870949543.db2.gz	MRPZAQIYDNXLQI-MAUKXSAKSA-N	1	0	360.506	1.670	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1C[C@@H](C)O[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000914144449	871078295	/nfs/dbraw/zinc/07/82/95/871078295.db2.gz	AMMVGKPFVAVZLJ-DNVCBOLYSA-N	1	0	367.490	1.731	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNc2ncc(C#N)cc2Cl)CC[N@@H+]1C	ZINC001106141616	871134052	/nfs/dbraw/zinc/13/40/52/871134052.db2.gz	FLZHDDRGNGBQBW-VNHYZAJKSA-N	1	0	365.865	1.226	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCOCC(F)F)C[C@H]1C	ZINC001106141386	871144192	/nfs/dbraw/zinc/14/41/92/871144192.db2.gz	CKEFTXZEDJXXEQ-MGPQQGTHSA-N	1	0	361.433	1.033	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CNC(=O)c2ccncc2)C[C@H]1C	ZINC001106163488	871496815	/nfs/dbraw/zinc/49/68/15/871496815.db2.gz	VUCPLICXWLJCLP-JFIYKMOQSA-N	1	0	358.486	1.850	20	30		FDEDRO
COc1ccc(C[NH+]2CCC(NC(=O)[C@]34C[C@H]3COC4)CC2)cc1C#N	ZINC001002869633	871529536	/nfs/dbraw/zinc/52/95/36/871529536.db2.gz	UBXSUCQTONBVEM-JXFKEZNVSA-N	1	0	355.438	1.684	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnc3cc(C)ccn32)C[C@H]1C	ZINC001106173907	871603908	/nfs/dbraw/zinc/60/39/08/871603908.db2.gz	LGXOJQBMOKOJBC-IAGOWNOFSA-N	1	0	354.454	1.590	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCNC(=O)C2CC2)[C@H](C)C1	ZINC001106177325	871610869	/nfs/dbraw/zinc/61/08/69/871610869.db2.gz	XLQILJDYZOTSNZ-IUODEOHRSA-N	1	0	355.910	1.975	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H](CC)c2ccccc2OCC(=O)N(C)C)C1=O	ZINC000499600122	871686458	/nfs/dbraw/zinc/68/64/58/871686458.db2.gz	KLKIUGWDTZMMOC-DLBZAZTESA-N	1	0	359.470	1.981	20	30		FDEDRO
CC[C@@H](C(=O)N1C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@]2(C)C1)[NH+](C)C	ZINC000992739400	871706947	/nfs/dbraw/zinc/70/69/47/871706947.db2.gz	IOZOCJSWXSBAII-URLQWDBASA-N	1	0	357.458	1.147	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CCCN(c2ncccn2)C1)C1CC[NH+](C)CC1	ZINC000914218777	871877108	/nfs/dbraw/zinc/87/71/08/871877108.db2.gz	GQQXBLMZGGQDFT-INIZCTEOSA-N	1	0	356.474	1.184	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@]2(C)C1	ZINC000992789412	872173835	/nfs/dbraw/zinc/17/38/35/872173835.db2.gz	LDNDICWYZBYXPP-GZRFBZBPSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2c(C)nc3ccnn3c2C)[C@H](OC)C1	ZINC001212491833	872342184	/nfs/dbraw/zinc/34/21/84/872342184.db2.gz	NXFMRISPOSORQR-HZPDHXFCSA-N	1	0	357.458	1.741	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2CC)CC1	ZINC001003041330	872392310	/nfs/dbraw/zinc/39/23/10/872392310.db2.gz	ZEYMJIDJUBLELV-NZSAHSFTSA-N	1	0	359.514	1.827	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2CC)[C@H](OC)C1	ZINC001212495699	872517644	/nfs/dbraw/zinc/51/76/44/872517644.db2.gz	OAHMNYWQBZVZPO-FGTMMUONSA-N	1	0	353.507	1.269	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC001003159939	872699773	/nfs/dbraw/zinc/69/97/73/872699773.db2.gz	JZAOBIYROSAUKT-SQDXWYPISA-N	1	0	369.469	1.478	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)COCc2cccc(OC)c2)[C@H](OC)C1	ZINC001212504044	872818702	/nfs/dbraw/zinc/81/87/02/872818702.db2.gz	AHZCOWAATJFXBQ-RTBURBONSA-N	1	0	362.470	1.993	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)cc(N(C)C)c2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000494131870	872925965	/nfs/dbraw/zinc/92/59/65/872925965.db2.gz	WOYKVJWFOMTVPB-UZLBHIALSA-N	1	0	369.513	1.722	20	30		FDEDRO
CC1CC[NH+](CC(=O)N2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]3(C)C2)CC1	ZINC000992890739	873116979	/nfs/dbraw/zinc/11/69/79/873116979.db2.gz	QDVOJJLRLOUBLJ-GHTZIAJQSA-N	1	0	357.498	1.439	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1	ZINC000992898455	873140281	/nfs/dbraw/zinc/14/02/81/873140281.db2.gz	LIZQSRCCWVEKOE-CNNODRBYSA-N	1	0	371.525	1.970	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CC2CCC2)CC1	ZINC001003362689	873215202	/nfs/dbraw/zinc/21/52/02/873215202.db2.gz	DXIHDEIOIDMZDL-QRVBRYPASA-N	1	0	357.498	1.770	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ncoc2C)CC1	ZINC001003362694	873215750	/nfs/dbraw/zinc/21/57/50/873215750.db2.gz	FDRJGILUNOOZLH-ZACQAIPSSA-N	1	0	370.453	1.190	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCCC2(CNc3cnc(C#N)cn3)CC2)CC[N@@H+]1C	ZINC001090008373	873442002	/nfs/dbraw/zinc/44/20/02/873442002.db2.gz	HWCKMRZFBXUVME-JKSUJKDBSA-N	1	0	356.474	1.777	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C2CC2)[C@H](C)C1)OCC	ZINC001106197029	873444322	/nfs/dbraw/zinc/44/43/22/873444322.db2.gz	BMOXLKXLPWKBMZ-NUJGCVRESA-N	1	0	365.518	1.663	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccn(C(C)(C)C)n2)C[C@H]1C	ZINC001106197241	873454143	/nfs/dbraw/zinc/45/41/43/873454143.db2.gz	MWRSBUBSHSECJF-HUUCEWRRSA-N	1	0	361.490	1.238	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@H+]1CC[C@H](C)C1	ZINC001003501957	873611788	/nfs/dbraw/zinc/61/17/88/873611788.db2.gz	USCHNXYNHYHMRX-MLHJIOFPSA-N	1	0	370.497	1.878	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CNS(=O)(=O)CC)C[C@H]1C	ZINC001106203741	873680637	/nfs/dbraw/zinc/68/06/37/873680637.db2.gz	UWGFXOFOEAZGDS-HZPDHXFCSA-N	1	0	361.552	1.580	20	30		FDEDRO
CCC(=O)Nc1cccc(C(=O)N2C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C2)c1	ZINC001106207080	873712392	/nfs/dbraw/zinc/71/23/92/873712392.db2.gz	LBYKIAWHRBVHNY-SJLPKXTDSA-N	1	0	371.481	1.983	20	30		FDEDRO
C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000914442662	873846886	/nfs/dbraw/zinc/84/68/86/873846886.db2.gz	JYIBUNWIICPEAW-NOJWBWKLSA-N	1	0	362.474	1.624	20	30		FDEDRO
C[N@H+](CC(=O)N1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@]2(C)C1)C1CCC1	ZINC000993040990	873855684	/nfs/dbraw/zinc/85/56/84/873855684.db2.gz	QLHPULMFGDDDLX-MGPUTAFESA-N	1	0	369.469	1.291	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1	ZINC001003651278	873924313	/nfs/dbraw/zinc/92/43/13/873924313.db2.gz	BJVRNJNISFZBLH-ZCNNSNEGSA-N	1	0	358.482	1.762	20	30		FDEDRO
C#CCN(C(=O)NCc1ncnn1-c1ccccc1)C1CC[NH+](C)CC1	ZINC000922228393	873951016	/nfs/dbraw/zinc/95/10/16/873951016.db2.gz	NROWLDPEQRNTNL-UHFFFAOYSA-N	1	0	352.442	1.506	20	30		FDEDRO
Cc1cc2ccc(C(=O)N3C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C3)cn2c1	ZINC001106222866	873965600	/nfs/dbraw/zinc/96/56/00/873965600.db2.gz	YFWRYJNETQTFBE-NVXWUHKLSA-N	1	0	367.453	1.185	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCC(F)(F)C2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106226136	873972929	/nfs/dbraw/zinc/97/29/29/873972929.db2.gz	RMLLNVFMRGOYDZ-HZSPNIEDSA-N	1	0	356.417	1.136	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]C[C@@H](CC)OC)[C@H](C)C2)CCOCC1	ZINC001106235395	874048105	/nfs/dbraw/zinc/04/81/05/874048105.db2.gz	QJWJTPVMABKXMJ-KZNAEPCWSA-N	1	0	350.503	1.916	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2c(C)nnn2CC)C[C@H]1C	ZINC001106240439	874082185	/nfs/dbraw/zinc/08/21/85/874082185.db2.gz	YOVKUYZXUHSTEC-ZWNOBZJWSA-N	1	0	370.295	1.813	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2cnn3c2CCCC3)C[C@H]1C	ZINC001106274893	874340100	/nfs/dbraw/zinc/34/01/00/874340100.db2.gz	AJGDJPPGESELBW-SJLPKXTDSA-N	1	0	360.502	1.649	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106283880	874436841	/nfs/dbraw/zinc/43/68/41/874436841.db2.gz	ZOIIYOMAYDALHU-SUMDDJOVSA-N	1	0	371.456	1.388	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cnc3cc[nH]c3c2)C[C@H]1C	ZINC001106299761	874618536	/nfs/dbraw/zinc/61/85/36/874618536.db2.gz	PZCOSYUZUZMUBV-UKRRQHHQSA-N	1	0	355.442	1.163	20	30		FDEDRO
C[NH+]1CCN(c2ccc(C=[NH+][N-]c3ccc(-n4ccnc4)nn3)cc2)CC1	ZINC000761855553	874736833	/nfs/dbraw/zinc/73/68/33/874736833.db2.gz	QAJMJUXZEGSGJM-UHFFFAOYSA-N	1	0	362.441	1.860	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cn3c(n2)CC[C@@H](C)C3)C[C@H]1C	ZINC001106313661	874752062	/nfs/dbraw/zinc/75/20/62/874752062.db2.gz	AFJHJVFTMKBYTP-BRWVUGGUSA-N	1	0	360.502	1.966	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(CC)n[nH]2)[C@@H](n2ccnn2)C1	ZINC001128724189	882862912	/nfs/dbraw/zinc/86/29/12/882862912.db2.gz	UKJTUQXERUMMSE-XYPHTWIQSA-N	1	0	357.462	1.574	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnc3ccccn32)C[C@H]1C	ZINC001106347021	874846955	/nfs/dbraw/zinc/84/69/55/874846955.db2.gz	FZKLVAJBHCRMPE-OWCLPIDISA-N	1	0	369.469	1.323	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2COc3ccccc3C2)C[C@H]1C	ZINC001106396240	875066537	/nfs/dbraw/zinc/06/65/37/875066537.db2.gz	IATQPQATBIOYMV-BHIYHBOVSA-N	1	0	356.466	1.572	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C)c(F)c2)C[C@H]1C	ZINC001106394610	875084814	/nfs/dbraw/zinc/08/48/14/875084814.db2.gz	DFDUODSSJLLYTQ-HLLBOEOZSA-N	1	0	359.445	1.570	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(C)c(OC)c2)C[C@H]1C	ZINC001106401110	875104387	/nfs/dbraw/zinc/10/43/87/875104387.db2.gz	XWDFMXAAOQOVRY-IEBWSBKVSA-N	1	0	358.482	1.880	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnc3cc(OC)ccn32)C[C@H]1C	ZINC001106423048	875223305	/nfs/dbraw/zinc/22/33/05/875223305.db2.gz	JTXDSSSQNJNHAR-HZPDHXFCSA-N	1	0	370.453	1.290	20	30		FDEDRO
C[N@@H+](Cc1cccnc1)C[C@H]1CCN(S(=O)(=O)CC(C)(C)C#N)C1	ZINC000915053037	875337934	/nfs/dbraw/zinc/33/79/34/875337934.db2.gz	KLIUUYNHOJXDIZ-MRXNPFEDSA-N	1	0	350.488	1.715	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCC(C)(C)CO2)C[C@H]1C	ZINC001106450442	875357867	/nfs/dbraw/zinc/35/78/67/875357867.db2.gz	HWYAIEWXNTZZJV-ZACQAIPSSA-N	1	0	365.518	1.568	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)[C@H]2C1	ZINC000272269054	875377284	/nfs/dbraw/zinc/37/72/84/875377284.db2.gz	AWPQHVKOWDFULJ-JSGCOSHPSA-N	1	0	358.446	1.001	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C[C@H]1C	ZINC001106481012	875617612	/nfs/dbraw/zinc/61/76/12/875617612.db2.gz	KDAHASCSDCVZAI-NRSFXHEJSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]Cc2nonc2C)[C@H](C)C1	ZINC001106486297	875641194	/nfs/dbraw/zinc/64/11/94/875641194.db2.gz	NVWVIXVBPVTXOX-SIIHOXLZSA-N	1	0	350.463	1.791	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)CC1	ZINC000915172779	875668530	/nfs/dbraw/zinc/66/85/30/875668530.db2.gz	VYVCNRAHOYJPAC-GOSISDBHSA-N	1	0	354.454	1.184	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)nc2)C[C@H]1C	ZINC001106506173	875742967	/nfs/dbraw/zinc/74/29/67/875742967.db2.gz	KCVGHJOKQVRMMT-SJLPKXTDSA-N	1	0	369.469	1.768	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCNC(=O)NC(C)C)[C@H](C)C2)cc1	ZINC001106513047	875780389	/nfs/dbraw/zinc/78/03/89/875780389.db2.gz	ZTZLVZMTKVOOAZ-VQIMIIECSA-N	1	0	370.497	1.673	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCn3nc(C)nc3C)[C@H](C)C2)cc1	ZINC001106512451	875799741	/nfs/dbraw/zinc/79/97/41/875799741.db2.gz	LFBNSUQYDDXGTL-FOIQADDNSA-N	1	0	365.481	1.874	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NC)[C@H](C)C1	ZINC001106518179	875815819	/nfs/dbraw/zinc/81/58/19/875815819.db2.gz	HPXCWSRIGYJOFU-HZSPNIEDSA-N	1	0	352.479	1.117	20	30		FDEDRO
C[C@H](CC(N)=O)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)[C@H](C)C1	ZINC001106522105	875825685	/nfs/dbraw/zinc/82/56/85/875825685.db2.gz	CZMQCEZYNIRWRO-XJKCOSOUSA-N	1	0	360.433	1.393	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2cccnc2)[C@H](C)C1	ZINC001106527649	875847761	/nfs/dbraw/zinc/84/77/61/875847761.db2.gz	YORMPFFZADIOPF-NVXWUHKLSA-N	1	0	358.486	1.594	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NCCCOC)[C@H](C)C1	ZINC001106530609	875862714	/nfs/dbraw/zinc/86/27/14/875862714.db2.gz	JJIUDVLIEABMIS-BZUAXINKSA-N	1	0	353.507	1.424	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@H]1C	ZINC001106545824	875914003	/nfs/dbraw/zinc/91/40/03/875914003.db2.gz	KBEQENGCLQHMOC-RTXFEEFZSA-N	1	0	358.280	1.200	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCO[C@H](C)C2)[C@H](C)C1	ZINC001106556099	875945596	/nfs/dbraw/zinc/94/55/96/875945596.db2.gz	FPQMYGPPQWNHIS-KZNAEPCWSA-N	1	0	363.502	1.111	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]CC[C@@H]2CCS(=O)(=O)C2)[C@H](C)C1	ZINC001106559284	875966280	/nfs/dbraw/zinc/96/62/80/875966280.db2.gz	MWSFCDDCHQQCAQ-KZNAEPCWSA-N	1	0	368.543	1.689	20	30		FDEDRO
C[C@H]1COc2ccc(C(=O)N3C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C3)cc21	ZINC001106566278	875972945	/nfs/dbraw/zinc/97/29/45/875972945.db2.gz	CFPAVJOCCUOEFH-IJEWVQPXSA-N	1	0	370.453	1.120	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c(C)noc2C)C[C@H]1C	ZINC001106566583	875973516	/nfs/dbraw/zinc/97/35/16/875973516.db2.gz	IZPYFUCULSHZDD-RHSMWYFYSA-N	1	0	361.486	1.903	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](C[NH2+]CCNS(=O)(=O)CC)[C@H](C)C1	ZINC001106567227	875976176	/nfs/dbraw/zinc/97/61/76/875976176.db2.gz	AOOICIRDXKHGJP-BZUAXINKSA-N	1	0	359.536	1.212	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C2CCC2)C2CCC2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106588390	876071295	/nfs/dbraw/zinc/07/12/95/876071295.db2.gz	SKMYNYDGIKAXHS-RHSMWYFYSA-N	1	0	360.502	1.527	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NCc1ccn2ccnc2c1	ZINC000762549674	876085185	/nfs/dbraw/zinc/08/51/85/876085185.db2.gz	NMXYERDKEBQAPQ-UHFFFAOYSA-N	1	0	366.352	1.740	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NCC=C)[C@H](C)C1	ZINC001106612804	876174793	/nfs/dbraw/zinc/17/47/93/876174793.db2.gz	ODSAAJQNOFWYMS-BZUAXINKSA-N	1	0	364.490	1.427	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3ncccc3c2)C[C@H]1C	ZINC001106618465	876233218	/nfs/dbraw/zinc/23/32/18/876233218.db2.gz	RSQKRZXXRZZTAP-CRAIPNDOSA-N	1	0	366.465	1.835	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C2)CC1	ZINC001106628312	876271264	/nfs/dbraw/zinc/27/12/64/876271264.db2.gz	KWEQYJMBEUTDLR-NVXWUHKLSA-N	1	0	356.532	1.852	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C[NH2+]CC(=O)Nc3cnccn3)[C@H](C)C2)CC1	ZINC001106628731	876273870	/nfs/dbraw/zinc/27/38/70/876273870.db2.gz	SNMWEERICAQSPX-NVXWUHKLSA-N	1	0	371.485	1.846	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCCOCC)[C@H](C)C2)CC1	ZINC001106633810	876284765	/nfs/dbraw/zinc/28/47/65/876284765.db2.gz	VRLDOCJFQWQTNJ-IAGOWNOFSA-N	1	0	365.518	1.570	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]CCNC(=O)NC(C)C)[C@H](C)C2)C1	ZINC001106648877	876370308	/nfs/dbraw/zinc/37/03/08/876370308.db2.gz	UTPBXNJXUGSTDX-HZPDHXFCSA-N	1	0	350.507	1.734	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]CC(=O)Nc3cc(C)no3)[C@H](C)C2)C1	ZINC001106646850	876378399	/nfs/dbraw/zinc/37/83/99/876378399.db2.gz	BXNPLMKZYHWQKP-UKRRQHHQSA-N	1	0	360.458	1.962	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)NCC(C)C)[C@H](C)C2)c1	ZINC001106650250	876386905	/nfs/dbraw/zinc/38/69/05/876386905.db2.gz	GAIDUXFJHAGPNY-JTDSTZFVSA-N	1	0	370.497	1.521	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]CCCO[C@@H]3CCOC3)[C@H](C)C2)c1	ZINC001106650276	876386957	/nfs/dbraw/zinc/38/69/57/876386957.db2.gz	HHQKFRGSHXHTLB-NSISKUIASA-N	1	0	371.481	1.556	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N[C@H](C)CC)[C@H](C)C2)c1	ZINC001106650876	876390691	/nfs/dbraw/zinc/39/06/91/876390691.db2.gz	HZCBDVWHPUJGNW-IIDMSEBBSA-N	1	0	356.470	1.275	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]C[C@@H](O)CC(F)(F)F)[C@H](C)C2)c1	ZINC001106651612	876391729	/nfs/dbraw/zinc/39/17/29/876391729.db2.gz	UGDSVWDNOSLMHI-WQVCFCJDSA-N	1	0	369.387	1.674	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@H]1C	ZINC001106693688	876576056	/nfs/dbraw/zinc/57/60/56/876576056.db2.gz	WTBONSPIFLAYLF-JXXFODFXSA-N	1	0	367.493	1.223	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C[NH2+]CCCN2C(=O)CNC2=O)[C@H](C)C1	ZINC001106711197	876900100	/nfs/dbraw/zinc/90/01/00/876900100.db2.gz	NQXCSSSONCZOIQ-HUUCEWRRSA-N	1	0	364.490	1.215	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NCCC)[C@H](C)C1	ZINC001106708847	876918002	/nfs/dbraw/zinc/91/80/02/876918002.db2.gz	MLRCAQHLVHXNKS-HUUCEWRRSA-N	1	0	366.506	1.509	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2Cc3cc(F)ccc3O2)C[C@H]1C	ZINC001106717884	876942194	/nfs/dbraw/zinc/94/21/94/876942194.db2.gz	QNGDSKLTNCHUMV-OGWOLHLISA-N	1	0	360.429	1.463	20	30		FDEDRO
C[C@H](CC1CCCCC1)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106723783	876971494	/nfs/dbraw/zinc/97/14/94/876971494.db2.gz	QIJZTBOCQQHAFW-JFIYKMOQSA-N	1	0	362.518	1.917	20	30		FDEDRO
CC[C@H](CC1CCCC1)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106726429	876993626	/nfs/dbraw/zinc/99/36/26/876993626.db2.gz	NJMSBSPDCVACOC-KBAYOESNSA-N	1	0	362.518	1.917	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)c2cccnc2)C[C@H]1C	ZINC001106727415	877002915	/nfs/dbraw/zinc/00/29/15/877002915.db2.gz	LXSKPXUZVQFHJZ-JFIYKMOQSA-N	1	0	356.470	1.009	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2cnn(C)c2)[C@H](C)C1	ZINC001106733109	877256305	/nfs/dbraw/zinc/25/63/05/877256305.db2.gz	HIJIZXZBKQYNGA-OLMNPRSZSA-N	1	0	361.490	1.075	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CC[C@@]2(C1)CN(Cc1ccccc1)C[C@H](C)O2	ZINC000922297923	877403814	/nfs/dbraw/zinc/40/38/14/877403814.db2.gz	CWTGKCVOHCQFRN-RXVVDRJESA-N	1	0	357.498	1.996	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCC)[C@H](C)C1	ZINC001106752929	877525330	/nfs/dbraw/zinc/52/53/30/877525330.db2.gz	UQVYJDKLWFGMQE-VXNCWWDNSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2c(C)nnn2CC)C1	ZINC000999191658	912247782	/nfs/dbraw/zinc/24/77/82/912247782.db2.gz	BTYNKRBBQACRAW-JZXOWHBKSA-N	1	0	361.490	1.668	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C(N)=O)s2)C[C@H]1C	ZINC001106759504	877596021	/nfs/dbraw/zinc/59/60/21/877596021.db2.gz	XACKTSJZRMADRW-CHWSQXEVSA-N	1	0	351.472	1.347	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C[NH2+]CC#Cc1cccc(Cl)c1	ZINC001106761212	877614290	/nfs/dbraw/zinc/61/42/90/877614290.db2.gz	HSUJAGWAECTKIA-GDBMZVCRSA-N	1	0	371.872	1.818	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cn3nc(C)cc3[nH]c2=O)C[C@H]1C	ZINC001106763362	877619333	/nfs/dbraw/zinc/61/93/33/877619333.db2.gz	DINQHKNHBULQQZ-UKRRQHHQSA-N	1	0	357.458	1.595	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O	ZINC000922324881	877634710	/nfs/dbraw/zinc/63/47/10/877634710.db2.gz	VAGVRBJXZRRTNL-HSHRSBJYSA-N	1	0	365.518	1.747	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000272496301	877672687	/nfs/dbraw/zinc/67/26/87/877672687.db2.gz	GBFANRXVOLOAOS-DLBZAZTESA-N	1	0	355.442	1.447	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4ccnc4)cc3)[C@H]2C1	ZINC001083155495	912273961	/nfs/dbraw/zinc/27/39/61/912273961.db2.gz	XHOCJYOEWODTNT-RBUKOAKNSA-N	1	0	352.438	1.974	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106790499	877933119	/nfs/dbraw/zinc/93/31/19/877933119.db2.gz	BPKSQDAWPRIIPT-NVXWUHKLSA-N	1	0	352.413	1.965	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc(C)nc3C2)C[C@H]1C(F)(F)F	ZINC001099269843	877937795	/nfs/dbraw/zinc/93/77/95/877937795.db2.gz	SRAPYDXNRGSOJA-BFHYXJOUSA-N	1	0	356.392	1.919	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCC(=O)NC2CCCC2)C[C@H]1C	ZINC001106799131	878014280	/nfs/dbraw/zinc/01/42/80/878014280.db2.gz	CKLRRCIIOXUOJN-IAGOWNOFSA-N	1	0	363.502	1.159	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)c1cccnc1	ZINC001106801769	878036647	/nfs/dbraw/zinc/03/66/47/878036647.db2.gz	BFIYEALKQVOVAV-SZVBFZGTSA-N	1	0	371.485	1.145	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)C2CCC(NC(=O)c3ccc(C#N)[nH]3)CC2)CC[N@@H+]1C	ZINC001004105834	878043335	/nfs/dbraw/zinc/04/33/35/878043335.db2.gz	NDOYOBMZTITPFG-RKHAHWSXSA-N	1	0	371.485	1.726	20	30		FDEDRO
N#CC1(CCC[NH+]2CCN(c3ncccc3C(N)=O)CC2)CCOCC1	ZINC000282122824	878085885	/nfs/dbraw/zinc/08/58/85/878085885.db2.gz	XZMGGNNHZKKALY-UHFFFAOYSA-N	1	0	357.458	1.403	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cccc(N3C(=O)CCNC3=O)c2C)CC1	ZINC000282122149	878094510	/nfs/dbraw/zinc/09/45/10/878094510.db2.gz	LRVIYZURIMILDA-UHFFFAOYSA-N	1	0	368.437	1.725	20	30		FDEDRO
Cc1nonc1CC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccc(F)cc2)[C@H](C)C1	ZINC001106820889	878280704	/nfs/dbraw/zinc/28/07/04/878280704.db2.gz	HOWKHEXGQDTGGH-RHSMWYFYSA-N	1	0	370.428	1.795	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCC[C@H]2CN(C(C)=O)C[C@H]21)C1CC[NH+](C)CC1	ZINC000922504608	878401205	/nfs/dbraw/zinc/40/12/05/878401205.db2.gz	IVVFLMDZUONNME-QXAKKESOSA-N	1	0	360.502	1.372	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N(C)[C@H]2CCN(Cc3ccccc3C#N)C2)C1	ZINC001033085156	878809462	/nfs/dbraw/zinc/80/94/62/878809462.db2.gz	OISXDUXBSYOIAC-FHLIZLRMSA-N	1	0	354.454	1.506	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H](c2ncc(C(=O)OC)s2)C1	ZINC000922629503	878850989	/nfs/dbraw/zinc/85/09/89/878850989.db2.gz	LLPNPJBMGGJLRO-CYBMUJFWSA-N	1	0	364.471	1.384	20	30		FDEDRO
C=CCCC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CC2	ZINC001128053965	912397737	/nfs/dbraw/zinc/39/77/37/912397737.db2.gz	ITLLXVIHLWHCPN-HZMVEIRTSA-N	1	0	373.501	1.723	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc3scnc3c2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106827280	878915285	/nfs/dbraw/zinc/91/52/85/878915285.db2.gz	PGCRDEWUBLTCHR-TZMCWYRMSA-N	1	0	371.466	1.234	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)OCc2cncc(C#N)c2)CC1=O	ZINC000922663253	878937989	/nfs/dbraw/zinc/93/79/89/878937989.db2.gz	FPGHQALYTQQLTF-IRXDYDNUSA-N	1	0	356.426	1.329	20	30		FDEDRO
C#CCN(C(=O)NCc1nc(-c2ccccn2)n[nH]1)C1CC[NH+](C)CC1	ZINC000922774557	879229375	/nfs/dbraw/zinc/22/93/75/879229375.db2.gz	BCENNHQCJXULFE-UHFFFAOYSA-N	1	0	353.430	1.106	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1O	ZINC001083832825	879242742	/nfs/dbraw/zinc/24/27/42/879242742.db2.gz	WUIBKNOWZCPIDF-AABGKKOBSA-N	1	0	370.497	1.482	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2	ZINC001004397481	879343449	/nfs/dbraw/zinc/34/34/49/879343449.db2.gz	FYEKMJUEEKQKBJ-DZVNLGKHSA-N	1	0	373.497	1.312	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)c3cccn3C)[C@H](C)C2)CC1	ZINC000993758654	879445698	/nfs/dbraw/zinc/44/56/98/879445698.db2.gz	VNVPZFWJWHHNOT-SJLPKXTDSA-N	1	0	370.497	1.195	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)CCc3cccc(N(C)C)c3)[C@H]2C1	ZINC001083172565	912464258	/nfs/dbraw/zinc/46/42/58/912464258.db2.gz	LULBUWCJXPZOEJ-VQTJNVASSA-N	1	0	355.482	1.620	20	30		FDEDRO
CN1CCN(C(=[NH2+])Nc2nc(/C=N/O)ccc2NC(=O)C(C)(C)C)CC1	ZINC001168736067	879567989	/nfs/dbraw/zinc/56/79/89/879567989.db2.gz	YKMKSBVMXDMKGJ-YBFXNURJSA-N	1	0	361.450	1.468	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@H]2OC)C1	ZINC000946618380	879698855	/nfs/dbraw/zinc/69/88/55/879698855.db2.gz	VHGUXVXQGMVMQC-BRWVUGGUSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1	ZINC001004534944	879810180	/nfs/dbraw/zinc/81/01/80/879810180.db2.gz	CLEMIGMUOKGDCN-NXHRZFHOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCCc4nn(C)cc43)[C@H]2C1	ZINC001083175181	912506547	/nfs/dbraw/zinc/50/65/47/912506547.db2.gz	MXQDMXBDTSSNSM-ZYSHUDEJSA-N	1	0	358.486	1.718	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCc4nn(C)cc43)[C@H]2C1	ZINC001083175180	912507092	/nfs/dbraw/zinc/50/70/92/912507092.db2.gz	MXQDMXBDTSSNSM-AYOQOUSVSA-N	1	0	358.486	1.718	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2OC)C1	ZINC000946632735	879919842	/nfs/dbraw/zinc/91/98/42/879919842.db2.gz	OTAALTAWSCBDNW-OAGGEKHMSA-N	1	0	351.491	1.271	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC000993875707	879937919	/nfs/dbraw/zinc/93/79/19/879937919.db2.gz	WKXGOVNXOQZWCC-CZUORRHYSA-N	1	0	357.458	1.052	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2cnc([C@H]3CCCO3)s2)[C@@H](O)C1	ZINC001083844222	880023604	/nfs/dbraw/zinc/02/36/04/880023604.db2.gz	VIYZKSJMHGQMOJ-HZSPNIEDSA-N	1	0	351.472	1.736	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3c3ccco3)C2)CC1	ZINC001004684760	880080705	/nfs/dbraw/zinc/08/07/05/880080705.db2.gz	KBWNXESUJVFBEZ-QZTJIDSGSA-N	1	0	369.465	1.303	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)[C@H](C)C1	ZINC000993907536	880111609	/nfs/dbraw/zinc/11/16/09/880111609.db2.gz	GDZIPYVTIUBOGS-IIDMSEBBSA-N	1	0	371.485	1.583	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC000994004860	880379757	/nfs/dbraw/zinc/37/97/57/880379757.db2.gz	RHGHORFUIWGQDA-IIDMSEBBSA-N	1	0	371.485	1.583	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)CC(F)(F)F)C[C@H]1C	ZINC001106841914	880611184	/nfs/dbraw/zinc/61/11/84/880611184.db2.gz	SESJNHSZAKMKQW-CHWSQXEVSA-N	1	0	361.408	1.399	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)C(C)(C)F)C[C@H]2C)CC1	ZINC000994133707	880732438	/nfs/dbraw/zinc/73/24/38/880732438.db2.gz	CYBYIDYPFDWWOD-GDBMZVCRSA-N	1	0	351.466	1.290	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C	ZINC001106843573	880834704	/nfs/dbraw/zinc/83/47/04/880834704.db2.gz	GUXMQKPCZUTADN-HZPDHXFCSA-N	1	0	366.506	1.583	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)CC(C)(F)F)C[C@H]2C)CC1	ZINC000994140125	880908263	/nfs/dbraw/zinc/90/82/63/880908263.db2.gz	OEOKJXKQXIBMPL-GDBMZVCRSA-N	1	0	369.456	1.588	20	30		FDEDRO
C[N@H+]1CC=C(CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000272726565	881111422	/nfs/dbraw/zinc/11/14/22/881111422.db2.gz	GGDGFLWVDABBAP-GOSISDBHSA-N	1	0	367.453	1.615	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106858497	881138327	/nfs/dbraw/zinc/13/83/27/881138327.db2.gz	KBQWHLLCTUJXST-GDBMZVCRSA-N	1	0	355.417	1.222	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@H+]2CCC[C@@H]2C)nc1	ZINC001004746251	881199914	/nfs/dbraw/zinc/19/99/14/881199914.db2.gz	BHUTUOMTSMTKTE-WLWJZTKJSA-N	1	0	366.465	1.409	20	30		FDEDRO
C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CC[N@@H+](CCOC)C1	ZINC000673740335	881300035	/nfs/dbraw/zinc/30/00/35/881300035.db2.gz	VPPYOJUYEIEDMG-MRXNPFEDSA-N	1	0	370.453	1.888	20	30		FDEDRO
CC(=O)N1CCN(C(NCCc2ccco2)=[NH+]C[C@H]2CCCCO2)CC1	ZINC000153823195	881324474	/nfs/dbraw/zinc/32/44/74/881324474.db2.gz	UBOWUOSKNNWPBN-GOSISDBHSA-N	1	0	362.474	1.501	20	30		FDEDRO
N#C[C@H](C(=O)CN1CC[NH+](CC2CC2)CC1)c1nc2ccccc2c(=O)[nH]1	ZINC000917160033	883151922	/nfs/dbraw/zinc/15/19/22/883151922.db2.gz	POZCZPOUYONDDS-MRXNPFEDSA-N	1	0	365.437	1.539	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)Cn2cc(C)cn2)[C@@H](n2ccnn2)C1	ZINC001128774796	883381404	/nfs/dbraw/zinc/38/14/04/883381404.db2.gz	FZGHUVDIFKZVKW-MSOLQXFVSA-N	1	0	371.489	1.571	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cccc(C#N)c2)C1	ZINC000999406891	912718651	/nfs/dbraw/zinc/71/86/51/912718651.db2.gz	BMXMPSFLKKYCMX-HIEASXQVSA-N	1	0	354.454	1.362	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001128812138	883701939	/nfs/dbraw/zinc/70/19/39/883701939.db2.gz	PUWYJNDNFQIJPX-MSOLQXFVSA-N	1	0	355.442	1.065	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001128812081	883702527	/nfs/dbraw/zinc/70/25/27/883702527.db2.gz	PLEDGMOKWCDDDF-MSOLQXFVSA-N	1	0	355.442	1.331	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1CN(Cc2ccc(CO)cc2)C[C@@H]1n1ccnn1	ZINC001128816167	883730761	/nfs/dbraw/zinc/73/07/61/883730761.db2.gz	BSJYKJJMRYDJPW-MSOLQXFVSA-N	1	0	355.442	1.278	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](CCc2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001128824530	883743291	/nfs/dbraw/zinc/74/32/91/883743291.db2.gz	DRWLFTRQYNVXOT-MOPGFXCFSA-N	1	0	369.469	1.373	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](CC2CCC(F)(F)CC2)C[C@@H]1n1ccnn1	ZINC001128829110	883750874	/nfs/dbraw/zinc/75/08/74/883750874.db2.gz	BOBSZSFHIFPOPL-CFVMTHIKSA-N	1	0	366.416	1.605	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nccn2C(F)F)C1	ZINC000999427254	912750693	/nfs/dbraw/zinc/75/06/93/912750693.db2.gz	HHODLCLRNLAZOX-PQAZSJQKSA-N	1	0	354.401	1.948	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1	ZINC000917822593	883818817	/nfs/dbraw/zinc/81/88/17/883818817.db2.gz	SJONIWOHQLLKBW-CQSZACIVSA-N	1	0	359.455	1.673	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](CC[C@H](C)F)C[C@@H]1n1ccnn1	ZINC001128870444	883907061	/nfs/dbraw/zinc/90/70/61/883907061.db2.gz	SOPFPWSXAFSGQW-XHSDSOJGSA-N	1	0	353.442	1.351	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CCCCCF)C[C@@H]2n2ccnn2)c1	ZINC001128878617	883921384	/nfs/dbraw/zinc/92/13/84/883921384.db2.gz	ZCSWVNZOVYMECJ-CVEARBPZSA-N	1	0	359.409	1.273	20	30		FDEDRO
CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1	ZINC001034249835	883975277	/nfs/dbraw/zinc/97/52/77/883975277.db2.gz	ONXDPCRKKLGZEX-OTWHNJEPSA-N	1	0	358.486	1.882	20	30		FDEDRO
CC(C)CCC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](n2ccnn2)C1	ZINC001128903140	884017641	/nfs/dbraw/zinc/01/76/41/884017641.db2.gz	ILRHDXMIDUILCK-SJORKVTESA-N	1	0	355.446	1.569	20	30		FDEDRO
CC(C)C[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](n2ccnn2)C1	ZINC001128903658	884022931	/nfs/dbraw/zinc/02/29/31/884022931.db2.gz	UXZVMEQGFLCETN-OLMNPRSZSA-N	1	0	369.473	1.815	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@@H+](CCCCCOC)C[C@@H]1n1ccnn1	ZINC001128913260	884093527	/nfs/dbraw/zinc/09/35/27/884093527.db2.gz	CEICIRDJJVQLIV-MSOLQXFVSA-N	1	0	361.490	1.630	20	30		FDEDRO
C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1	ZINC001034322017	884176166	/nfs/dbraw/zinc/17/61/66/884176166.db2.gz	DVUMXAGWGRTLLE-QRVBRYPASA-N	1	0	365.518	1.413	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)C[NH+](CC)CC)CC1	ZINC001078966701	884306025	/nfs/dbraw/zinc/30/60/25/884306025.db2.gz	VIPZANCCITVVNT-KURKYZTESA-N	1	0	365.518	1.759	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CCc2ccnn2C)C1	ZINC001034437528	884372394	/nfs/dbraw/zinc/37/23/94/884372394.db2.gz	AFYLSXLIDMNHTO-WDSOQIARSA-N	1	0	360.502	1.915	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@@H]1O	ZINC001083999420	912819410	/nfs/dbraw/zinc/81/94/10/912819410.db2.gz	OQXFOQNHDDTJIH-DBVUQKKJSA-N	1	0	356.466	1.188	20	30		FDEDRO
CO[C@@H]1CN(Cc2cccc3nsnc32)C[C@H]1NC(=O)C#CC(C)C	ZINC001212234204	884577119	/nfs/dbraw/zinc/57/71/19/884577119.db2.gz	QOYSBCSLDUBMHB-HZPDHXFCSA-N	1	0	358.467	1.666	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(CC)n2)CC1	ZINC001034647831	884613005	/nfs/dbraw/zinc/61/30/05/884613005.db2.gz	ZVDPDAGIDSOFBN-AHCXZYCDSA-N	1	0	361.490	1.796	20	30		FDEDRO
CO[C@H](C[N@@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@@H](n2ccnn2)C1)C1CCCC1	ZINC001128984997	884698664	/nfs/dbraw/zinc/69/86/64/884698664.db2.gz	GJYJIRVSVXMBSQ-CEXWTWQISA-N	1	0	371.485	1.238	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@@H]1n1ccnn1	ZINC001128985475	884716689	/nfs/dbraw/zinc/71/66/89/884716689.db2.gz	PCWJQGPNMCKYNW-MOPGFXCFSA-N	1	0	353.470	1.924	20	30		FDEDRO
C#CCN(C(=O)NC[C@@H]1CCO[C@H]1c1cnn(C)c1)C1CC[NH+](C)CC1	ZINC000922895628	884790689	/nfs/dbraw/zinc/79/06/89/884790689.db2.gz	FVWVXYMKYQHWLM-MAUKXSAKSA-N	1	0	359.474	1.237	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCCCCCC)C[C@@H]1n1ccnn1	ZINC001128988955	884801234	/nfs/dbraw/zinc/80/12/34/884801234.db2.gz	JDNGIYIMZVTYHW-KSZLIROESA-N	1	0	361.490	1.628	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)cc1	ZINC001034736769	884930972	/nfs/dbraw/zinc/93/09/72/884930972.db2.gz	BRGZLJXEPVDRQY-FCGDIQPGSA-N	1	0	368.481	1.977	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2ccnc2CC)[C@@H](n2ccnn2)C1	ZINC001129004801	884998920	/nfs/dbraw/zinc/99/89/20/884998920.db2.gz	XZNBLRGEWQZXCZ-BBWFWOEESA-N	1	0	369.473	1.053	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCCOC)C[C@@H]1n1ccnn1	ZINC001129015174	885136716	/nfs/dbraw/zinc/13/67/16/885136716.db2.gz	ZJPZZYFMAXXUOX-CABCVRRESA-N	1	0	369.897	1.825	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2nnc(C)n2CC)C1	ZINC000999539885	912910354	/nfs/dbraw/zinc/91/03/54/912910354.db2.gz	PYXXHSNNZXVOIT-OBQMCRIKSA-N	1	0	361.490	1.667	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(C[NH2+][C@H]2CCN(C)C2=O)cc1	ZINC001034826252	885228246	/nfs/dbraw/zinc/22/82/46/885228246.db2.gz	FUQLPOVKGFGAEN-FHWLQOOXSA-N	1	0	371.481	1.604	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1n1ccnn1)OCC	ZINC001129029389	885337803	/nfs/dbraw/zinc/33/78/03/885337803.db2.gz	DHKAQPMQQTXERU-FGTMMUONSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCN1CC[C@@H]([NH+]2CCC(N(C)C(=O)[C@@H]3CCO[C@H]3CC)CC2)C1=O	ZINC001005752367	885487475	/nfs/dbraw/zinc/48/74/75/885487475.db2.gz	UYTKEYGGPLGRRZ-KURKYZTESA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1csnc1OC	ZINC001035055092	885562193	/nfs/dbraw/zinc/56/21/93/885562193.db2.gz	WVILHPPIZXFAFB-KFWWJZLASA-N	1	0	351.472	1.823	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2ccnc2)[C@@H](n2ccnn2)C1	ZINC001129054688	885585962	/nfs/dbraw/zinc/58/59/62/885585962.db2.gz	JUSJQHQBPKLCDO-KURKYZTESA-N	1	0	369.473	1.127	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cnc3cc[nH]c3c2)[C@@H](n2ccnn2)C1	ZINC001129064358	885649579	/nfs/dbraw/zinc/64/95/79/885649579.db2.gz	ASXSCYPCKXIQES-MSOLQXFVSA-N	1	0	365.441	1.776	20	30		FDEDRO
CC1(C)C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+](Cc2cccc(C#N)c2)C1	ZINC001089493672	885676682	/nfs/dbraw/zinc/67/66/82/885676682.db2.gz	YWEWFLDAVHMDDN-KSZLIROESA-N	1	0	368.481	1.786	20	30		FDEDRO
C=CCN1C[C@@H](NC(=O)C[C@@H](C)c2c(C)noc2C)[C@@H](n2ccnn2)C1	ZINC001129090400	885718646	/nfs/dbraw/zinc/71/86/46/885718646.db2.gz	XFNLHEDHMDPJQC-WQVCFCJDSA-N	1	0	358.446	1.604	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccc(COC)o2)[C@@H](n2ccnn2)C1	ZINC001129093407	885720957	/nfs/dbraw/zinc/72/09/57/885720957.db2.gz	GLJFNKQFLGIBME-CVEARBPZSA-N	1	0	359.430	1.639	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)CCc2cncc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129098325	885729947	/nfs/dbraw/zinc/72/99/47/885729947.db2.gz	HYWKTQIMMLNMAU-MSOLQXFVSA-N	1	0	354.458	1.532	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(CC[N@@H+]([C@H](C)C(N)=O)C2)CC1	ZINC001035236864	885799307	/nfs/dbraw/zinc/79/93/07/885799307.db2.gz	OJABNBTVZKUWJQ-IKGGRYGDSA-N	1	0	363.502	1.546	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)COCC(F)F)[C@@H](n2ccnn2)C1	ZINC001129128599	885827008	/nfs/dbraw/zinc/82/70/08/885827008.db2.gz	ZRUQNMKIVXGFNU-MJBXVCDLSA-N	1	0	357.405	1.256	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCc2ccnc(C)n2)[C@@H](n2ccnn2)C1	ZINC001129133597	885828255	/nfs/dbraw/zinc/82/82/55/885828255.db2.gz	BYIGNKBZVQBIBE-MSOLQXFVSA-N	1	0	369.473	1.317	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2csnn2)[C@@H](n2ccnn2)C1	ZINC001129138850	885838252	/nfs/dbraw/zinc/83/82/52/885838252.db2.gz	ADHNZOJOMSFCDR-HIFRSBDPSA-N	1	0	361.475	1.531	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@@H]1n1ccnn1	ZINC001129159664	885893148	/nfs/dbraw/zinc/89/31/48/885893148.db2.gz	OXHUVTYIDKJLGO-BBWFWOEESA-N	1	0	361.490	1.791	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[N@@H+](CCOCCCC)C[C@@H]1n1ccnn1	ZINC001129170080	885929507	/nfs/dbraw/zinc/92/95/07/885929507.db2.gz	NXJCDPBSFDFJNS-MSOLQXFVSA-N	1	0	361.490	1.630	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)NCCCC)[C@H](C)C2)cn1	ZINC001106896879	886140608	/nfs/dbraw/zinc/14/06/08/886140608.db2.gz	USGRZYDSNSJKMC-SOLBZPMBSA-N	1	0	370.497	1.665	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)Cc2ncccc2F)[C@@H](n2ccnn2)C1	ZINC001129194386	886173073	/nfs/dbraw/zinc/17/30/73/886173073.db2.gz	BXENZTULNKRYEW-SJORKVTESA-N	1	0	358.421	1.363	20	30		FDEDRO
COCC[C@@H](c1ccccc1)[N@@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1	ZINC001212246702	886668932	/nfs/dbraw/zinc/66/89/32/886668932.db2.gz	ZIWILRBERKZHEX-HSALFYBXSA-N	1	0	356.466	1.993	20	30		FDEDRO
CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)CCCCC#N)C2)[C@@H]1C(C)C	ZINC000920294913	886871596	/nfs/dbraw/zinc/87/15/96/886871596.db2.gz	GZZGHJBKKGQMNN-WCXIOVBPSA-N	1	0	357.520	1.469	20	30		FDEDRO
C#CCCCS(=O)(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21	ZINC000710182838	886911218	/nfs/dbraw/zinc/91/12/18/886911218.db2.gz	FIWCHHJZZSULOK-RBUKOAKNSA-N	1	0	362.495	1.705	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CN(C)c3cncc(C#N)n3)C2)CC[N@@H+]1C	ZINC001062185199	886953774	/nfs/dbraw/zinc/95/37/74/886953774.db2.gz	HOOFONWLSOLPKP-BHYGNILZSA-N	1	0	356.474	1.363	20	30		FDEDRO
Cc1cc(C#N)nc(N(C)C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001062186183	886970333	/nfs/dbraw/zinc/97/03/33/886970333.db2.gz	GRVJCYGADDTZDP-HLLBOEOZSA-N	1	0	356.474	1.282	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3c2snc(C)c2C#N)CC[N@@H+]1C	ZINC001062600519	887145143	/nfs/dbraw/zinc/14/51/43/887145143.db2.gz	FRKJNVKWVBFBIO-RZLSGREXSA-N	1	0	359.499	1.843	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@H]1NC(=O)C#CC1CC1	ZINC001212250595	887186698	/nfs/dbraw/zinc/18/66/98/887186698.db2.gz	CENYWGMBHMNFRH-UYAOXDASSA-N	1	0	354.450	1.393	20	30		FDEDRO
CN(C)c1ccc(CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cn1	ZINC000330213479	887292803	/nfs/dbraw/zinc/29/28/03/887292803.db2.gz	KZSFQYUELLSFGU-UHFFFAOYSA-N	1	0	357.462	2.137	20	30		FDEDRO
C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+](C)C2CCC(CC)CC2)c1=O	ZINC000921045917	887405229	/nfs/dbraw/zinc/40/52/29/887405229.db2.gz	IOHVTIBXDQJCEQ-UHFFFAOYSA-N	1	0	362.474	1.402	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](n2cc(C[NH2+]CC3CC3)nn2)C1	ZINC001089592345	887536655	/nfs/dbraw/zinc/53/66/55/887536655.db2.gz	QRXFYULKTMRORO-SQNIBIBYSA-N	1	0	359.474	1.532	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](n2ccnn2)C1	ZINC001129276613	887658755	/nfs/dbraw/zinc/65/87/55/887658755.db2.gz	OIFJLNBLMSDSBN-SQNIBIBYSA-N	1	0	362.522	1.706	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCC[C@@H]([S@](=O)CC)C1)C1CC[NH+](C)CC1	ZINC000921349672	887766197	/nfs/dbraw/zinc/76/61/97/887766197.db2.gz	BSPGRJSXFVHPMA-PNIPZHNDSA-N	1	0	353.532	1.805	20	30		FDEDRO
Cc1cc(N2CCC(NC(=O)Nc3ncn(C(C)(C)C)n3)CC2)nc(C)n1	ZINC000329493386	887936082	/nfs/dbraw/zinc/93/60/82/887936082.db2.gz	CTIQJIOFWFVQPR-UHFFFAOYSA-N	1	0	372.477	2.435	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](CCOc2cccc(C)c2)C[C@H]1OC	ZINC001212258496	888081069	/nfs/dbraw/zinc/08/10/69/888081069.db2.gz	URLRYLLBRVFLIR-RTBURBONSA-N	1	0	360.454	1.229	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCCc2ccccc2C)C[C@H]1OC	ZINC001212264700	888247363	/nfs/dbraw/zinc/24/73/63/888247363.db2.gz	OMBXWQLIIWCEBG-MISYRCLQSA-N	1	0	358.482	1.781	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCOC2CCCCCC2)C[C@H]1OC	ZINC001212264746	888262337	/nfs/dbraw/zinc/26/23/37/888262337.db2.gz	QQKMRRUYHWJZBH-BHIYHBOVSA-N	1	0	366.502	1.580	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000938387753	888547798	/nfs/dbraw/zinc/54/77/98/888547798.db2.gz	XVAFAHYFPFGEEV-SLFFLAALSA-N	1	0	367.493	1.658	20	30		FDEDRO
CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC001005998066	888604588	/nfs/dbraw/zinc/60/45/88/888604588.db2.gz	RTTMNHKLYULWFI-ZWKOTPCHSA-N	1	0	370.453	1.014	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)c1	ZINC000999776689	913267313	/nfs/dbraw/zinc/26/73/13/913267313.db2.gz	IIKMSHBVQWPGEN-LWYYNNOASA-N	1	0	369.465	1.690	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H](N(C)C(=O)Cn2ccnc2)C1	ZINC000938587751	888831031	/nfs/dbraw/zinc/83/10/31/888831031.db2.gz	ZIBMIPUIUWNWEU-BQFCYCMXSA-N	1	0	360.458	1.314	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)C23CCC[NH+](CCC2)C3)C1	ZINC000994849425	888877977	/nfs/dbraw/zinc/87/79/77/888877977.db2.gz	YFGWMOBHNXCSHE-IRXDYDNUSA-N	1	0	361.486	1.171	20	30		FDEDRO
C#CC[C@@H](CO)NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2	ZINC000923336740	888937000	/nfs/dbraw/zinc/93/70/00/888937000.db2.gz	JKSOECSFFLPTTG-OALUTQOASA-N	1	0	355.482	1.972	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1	ZINC000923350811	888984836	/nfs/dbraw/zinc/98/48/36/888984836.db2.gz	IDOZEKIEGBPGNT-AWEZNQCLSA-N	1	0	352.479	1.639	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](N(C)C(=O)C[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000938669453	889072069	/nfs/dbraw/zinc/07/20/69/889072069.db2.gz	LBBQPDCGGXBAGE-UFYCRDLUSA-N	1	0	371.525	1.827	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)CN1CCC[C@@H](C[NH3+])[C@H]1C(F)(F)F	ZINC000923399863	889133541	/nfs/dbraw/zinc/13/35/41/889133541.db2.gz	ILZFNWAYIVWSAT-LZWOXQAQSA-N	1	0	357.376	1.900	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cn([C@@H](C)COC)nc2C)[C@H](OC)C1	ZINC001212279006	889249231	/nfs/dbraw/zinc/24/92/31/889249231.db2.gz	BYDOTLFGZVMTRZ-BMGDILEWSA-N	1	0	364.490	1.794	20	30		FDEDRO
COc1nccc(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)n1	ZINC000328757892	889390573	/nfs/dbraw/zinc/39/05/73/889390573.db2.gz	VJXOICMXXSVEPY-UHFFFAOYSA-N	1	0	363.462	2.094	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)Cc1ccc(F)cc1	ZINC001127609231	889739231	/nfs/dbraw/zinc/73/92/31/889739231.db2.gz	QUNGJLSIQMUXFZ-KSZLIROESA-N	1	0	350.434	1.416	20	30		FDEDRO
COCC#CCN1C[C@@H](NC(=O)c2cscc2C(F)F)[C@H](OC)C1	ZINC001212289485	889746960	/nfs/dbraw/zinc/74/69/60/889746960.db2.gz	IEZFHPILCYEXMH-ZIAGYGMSSA-N	1	0	358.410	1.765	20	30		FDEDRO
C#CCN(C(=O)NCc1cnc(Br)cn1)C1CC[NH+](C)CC1	ZINC000923551002	889785566	/nfs/dbraw/zinc/78/55/66/889785566.db2.gz	REEXMPCWNSPIQM-UHFFFAOYSA-N	1	0	366.263	1.478	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)[C@H]2CCC(=O)N2Cc2ccc(C)cc2)C1	ZINC000923573276	889904763	/nfs/dbraw/zinc/90/47/63/889904763.db2.gz	OCLSPGCCGOAMQY-RBUKOAKNSA-N	1	0	353.466	1.700	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2c(C3CCC3)cnn2C)[C@H](OC)C1	ZINC001212300216	889976904	/nfs/dbraw/zinc/97/69/04/889976904.db2.gz	WVPVJOLLKSLEEA-IAGOWNOFSA-N	1	0	362.474	1.319	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F	ZINC001127618545	890016101	/nfs/dbraw/zinc/01/61/01/890016101.db2.gz	WNEVAYKPYYOTHX-FWIFWCIWSA-N	1	0	361.408	1.609	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(C)[nH]c2=O)[C@@H](n2ccnn2)C1	ZINC001129284768	890033622	/nfs/dbraw/zinc/03/36/22/890033622.db2.gz	XFUGAONYAUWORO-UAGQMJEPSA-N	1	0	370.457	1.697	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(C)nn2CC)[C@@H](n2ccnn2)C1	ZINC001129284249	890035946	/nfs/dbraw/zinc/03/59/46/890035946.db2.gz	LVKVZMVMLDDNMR-NUJGCVRESA-N	1	0	371.489	1.813	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2cccs2)[C@@H](n2ccnn2)C1	ZINC001129288937	890066248	/nfs/dbraw/zinc/06/62/48/890066248.db2.gz	LOKHRTHFVORFKR-UAGQMJEPSA-N	1	0	357.483	1.583	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](CC)OC2CCCC2)[C@@H](n2ccnn2)C1	ZINC001129293871	890139459	/nfs/dbraw/zinc/13/94/59/890139459.db2.gz	LTOZECPTTZKYRO-SQNIBIBYSA-N	1	0	361.490	1.934	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2cccn3nnnc23)[C@H](OC)C1	ZINC001212323073	890148948	/nfs/dbraw/zinc/14/89/48/890148948.db2.gz	OSDTZYVYJAMVAJ-HZPDHXFCSA-N	1	0	360.462	1.524	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cc(C(F)(F)F)n(C)n2)[C@H](OC)C1	ZINC001212323226	890150940	/nfs/dbraw/zinc/15/09/40/890150940.db2.gz	PMUXQWFNDZWCDG-CHWSQXEVSA-N	1	0	360.380	1.834	20	30		FDEDRO
CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCN(c2ncc(C#N)cc2F)C1	ZINC001063145731	890240152	/nfs/dbraw/zinc/24/01/52/890240152.db2.gz	AKVXSKJTYGIOQR-VNQPRFMTSA-N	1	0	359.449	1.860	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCCN(c3cncc(C#N)n3)C2)CC[N@@H+]1C	ZINC001063240876	890375751	/nfs/dbraw/zinc/37/57/51/890375751.db2.gz	HYNHISJWJQOZFC-BHYGNILZSA-N	1	0	356.474	1.554	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3nccs3)C2)CC1	ZINC000939462847	890705404	/nfs/dbraw/zinc/70/54/04/890705404.db2.gz	IIUKUROQLXERPJ-UKRRQHHQSA-N	1	0	360.483	1.065	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1CN([C@H](C)C(=O)N2CCCCC2)C[C@H]1OC	ZINC001212344783	891013318	/nfs/dbraw/zinc/01/33/18/891013318.db2.gz	MCVHAVRNGKDGQV-BRWVUGGUSA-N	1	0	351.491	1.559	20	30		FDEDRO
C#CCC[NH+]1CCC(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1	ZINC001001926055	891625779	/nfs/dbraw/zinc/62/57/79/891625779.db2.gz	TUYVPMCWHJACGO-AZUAARDMSA-N	1	0	368.481	1.453	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(C#N)c1)C2	ZINC001002130349	891964344	/nfs/dbraw/zinc/96/43/44/891964344.db2.gz	LGRDPZBNHYFRMH-MLHJIOFPSA-N	1	0	369.469	1.622	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1	ZINC001002149674	891992047	/nfs/dbraw/zinc/99/20/47/891992047.db2.gz	AFYKTDXOFLIAFX-KSZLIROESA-N	1	0	365.518	1.519	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1)C1CC[NH+](C)CC1	ZINC000921860960	892133342	/nfs/dbraw/zinc/13/33/42/892133342.db2.gz	HNRHFJZMSRBPKY-OAHLLOKOSA-N	1	0	358.490	1.455	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC(C)(F)F)C2	ZINC001112436978	892553833	/nfs/dbraw/zinc/55/38/33/892553833.db2.gz	QRFWZMOBKCRCRR-KSSFIOAISA-N	1	0	355.429	1.390	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+][C@H](CCCC)C(N)=O)[C@H](C)C1	ZINC001106923025	892598848	/nfs/dbraw/zinc/59/88/48/892598848.db2.gz	YFZDPRFGQIURFC-NSISKUIASA-N	1	0	369.509	1.939	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2cnn(C)c2OC)C[C@H]1C	ZINC001106926011	892756899	/nfs/dbraw/zinc/75/68/99/892756899.db2.gz	JPPNXWUMUOKAEV-ZYHUDNBSSA-N	1	0	371.279	1.635	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccc3nnn(C)c3c2)C[C@H]1C	ZINC001106927576	892979726	/nfs/dbraw/zinc/97/97/26/892979726.db2.gz	WFZZINIHQUWBAQ-GDBMZVCRSA-N	1	0	357.458	1.469	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1	ZINC001002500533	893049048	/nfs/dbraw/zinc/04/90/48/893049048.db2.gz	WTKXEQSANZAYKU-KSZLIROESA-N	1	0	363.502	1.130	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C(F)F)o2)C[C@H]1C	ZINC001106933862	893051919	/nfs/dbraw/zinc/05/19/19/893051919.db2.gz	LDUFGVKHORCNRG-JHJVBQTASA-N	1	0	367.396	1.653	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[C@H]2CCCCO2)CC1	ZINC000672355570	893175339	/nfs/dbraw/zinc/17/53/39/893175339.db2.gz	PNVDHLVVCDFOCF-MRXNPFEDSA-N	1	0	351.491	1.465	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cc1	ZINC000940771031	893192194	/nfs/dbraw/zinc/19/21/94/893192194.db2.gz	CLFCOEKTHKYFCE-CEXWTWQISA-N	1	0	353.466	1.729	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](n3ccnc3)C2)CC1	ZINC000672357442	893197651	/nfs/dbraw/zinc/19/76/51/893197651.db2.gz	ULIJDGWRQRLMQS-KRWDZBQOSA-N	1	0	359.474	1.203	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C)cc2C)C[C@H]1C	ZINC001106942063	893281852	/nfs/dbraw/zinc/28/18/52/893281852.db2.gz	PPWPTSOTYBFXQU-KZNAEPCWSA-N	1	0	355.482	1.739	20	30		FDEDRO
N#Cc1sc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)nc1Cl	ZINC000888414437	893398188	/nfs/dbraw/zinc/39/81/88/893398188.db2.gz	TWTXNTZFTWSRRH-SNVBAGLBSA-N	1	0	355.851	1.854	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)COCc2cc(C)no2)[C@H](OC)C1	ZINC001212452394	893437348	/nfs/dbraw/zinc/43/73/48/893437348.db2.gz	AKPGLXQFPUXYJT-DJIMGWMZSA-N	1	0	351.447	1.670	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)COCc2ccnn2C)[C@H](OC)C1	ZINC001212455682	893573149	/nfs/dbraw/zinc/57/31/49/893573149.db2.gz	VHDVTUOEWMPRJB-QZTJIDSGSA-N	1	0	364.490	1.499	20	30		FDEDRO
CC1(C)C[N@H+](CC#Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O	ZINC000941034474	893648159	/nfs/dbraw/zinc/64/81/59/893648159.db2.gz	CBGWGLXVQWOQQF-FGTMMUONSA-N	1	0	353.466	1.376	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCn2cncn2)CC1(C)C	ZINC000941092664	893846305	/nfs/dbraw/zinc/84/63/05/893846305.db2.gz	GVXWPKIBVDSJMR-ULQDDVLXSA-N	1	0	361.490	1.476	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CNC(=O)C2CCCCC2)C[C@H]1C	ZINC001106948430	893905167	/nfs/dbraw/zinc/90/51/67/893905167.db2.gz	HSIATHNNGUZQSR-SJLPKXTDSA-N	1	0	363.502	1.017	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2nc(OC)cc(OC)n2)[C@H](OC)C1	ZINC001212465845	894075022	/nfs/dbraw/zinc/07/50/22/894075022.db2.gz	YRMVPYXCGYHEAT-MGPQQGTHSA-N	1	0	364.446	1.278	20	30		FDEDRO
Cc1noc(CCC[N@@H+]2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)n1	ZINC001084261611	913867369	/nfs/dbraw/zinc/86/73/69/913867369.db2.gz	PPAMXMAVACVXIY-GDBMZVCRSA-N	1	0	354.414	1.357	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000922023716	894429429	/nfs/dbraw/zinc/42/94/29/894429429.db2.gz	MAPPPRJYAAQKKG-UHFFFAOYSA-N	1	0	351.428	1.621	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1csc(C(=O)OC)c1	ZINC000922023909	894430578	/nfs/dbraw/zinc/43/05/78/894430578.db2.gz	MQKSFISVEQRGGY-UHFFFAOYSA-N	1	0	356.469	1.253	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COc2cccc(CC)c2)C[C@H]1C	ZINC001106953077	894441079	/nfs/dbraw/zinc/44/10/79/894441079.db2.gz	ONOMWXFBLIHXPB-SJLPKXTDSA-N	1	0	371.481	1.061	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000922024343	894561658	/nfs/dbraw/zinc/56/16/58/894561658.db2.gz	PMWURHGSSLFSHZ-UHFFFAOYSA-N	1	0	355.391	1.452	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(C2C[NH+](CC[C@H](C)F)C2)CC1	ZINC000941412275	894934131	/nfs/dbraw/zinc/93/41/31/894934131.db2.gz	BLJZOHOWSTZRML-JQHSSLGASA-N	1	0	353.482	1.544	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(C)cc2)C[C@H]1C	ZINC001106957026	894959230	/nfs/dbraw/zinc/95/92/30/894959230.db2.gz	KYDCNLMBOKSBRQ-FGTMMUONSA-N	1	0	371.481	1.196	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3CC)[C@H](OC)C2)C1	ZINC000942132779	896459335	/nfs/dbraw/zinc/45/93/35/896459335.db2.gz	CCSNCHGOIPBKBB-IXDOHACOSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@H](OC)C1	ZINC000942132865	896460869	/nfs/dbraw/zinc/46/08/69/896460869.db2.gz	OUKMHXQGZJLIHR-BZUAXINKSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1	ZINC000671100231	896571621	/nfs/dbraw/zinc/57/16/21/896571621.db2.gz	JULMFOORXOPBAR-MSOLQXFVSA-N	1	0	371.481	1.953	20	30		FDEDRO
C[NH+](C)C1(C(=O)NCc2ccc(C(=O)NO)cc2)Cc2ccccc2C1	ZINC000671997238	896655323	/nfs/dbraw/zinc/65/53/23/896655323.db2.gz	QSUWKOYLPZFBED-UHFFFAOYSA-N	1	0	353.422	1.521	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])c1	ZINC000903539551	896690102	/nfs/dbraw/zinc/69/01/02/896690102.db2.gz	DXVSUVYDHLUZRB-MAUKXSAKSA-N	1	0	363.483	1.494	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@H](NC(=O)[C@H]2OCCO[C@H]2C)CC2(CCOCC2)C1	ZINC001089945512	896726728	/nfs/dbraw/zinc/72/67/28/896726728.db2.gz	RPZPOMJLWMCYQZ-BBWFWOEESA-N	1	0	352.475	1.354	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(COC)cc2)C[C@H]1C	ZINC001106968182	896805516	/nfs/dbraw/zinc/80/55/16/896805516.db2.gz	JESHIAIPXISFJY-JTDSTZFVSA-N	1	0	371.481	1.269	20	30		FDEDRO
N#Cc1ccccc1CN1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1	ZINC001084349567	914138099	/nfs/dbraw/zinc/13/80/99/914138099.db2.gz	RQUFBQVICSFQFI-NJDAHSKKSA-N	1	0	364.493	1.933	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)OCCO3)C[C@H]1C	ZINC001106975391	897282786	/nfs/dbraw/zinc/28/27/86/897282786.db2.gz	PUIOBUZDOUCISS-NVXWUHKLSA-N	1	0	358.438	1.405	20	30		FDEDRO
C[C@@H]1CN(C(=O)CNC(=O)C(C)(C)C)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001106976357	897289431	/nfs/dbraw/zinc/28/94/31/897289431.db2.gz	GXWVDUFCQXEOCU-CRAIPNDOSA-N	1	0	370.497	1.905	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(c2cccc(C[NH2+]CCC)n2)C1	ZINC001128119379	897316773	/nfs/dbraw/zinc/31/67/73/897316773.db2.gz	UVMXNAKILDASOJ-KSZLIROESA-N	1	0	358.486	1.867	20	30		FDEDRO
C#CC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)n1	ZINC001128133408	897438114	/nfs/dbraw/zinc/43/81/14/897438114.db2.gz	XIEGDEHROUHHTB-MLHJIOFPSA-N	1	0	354.454	1.067	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H](OC)C1	ZINC000942613340	897543909	/nfs/dbraw/zinc/54/39/09/897543909.db2.gz	WTYLGEYHLVCRBF-BRWVUGGUSA-N	1	0	365.518	1.661	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3c(C)cc(C)cc3C)C[C@H]2O)nc1	ZINC001078030069	897665317	/nfs/dbraw/zinc/66/53/17/897665317.db2.gz	GRLSUJNIIGFOIS-NHCUHLMSSA-N	1	0	363.461	1.963	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2OCCO[C@H]2C)C1	ZINC000995269434	897671304	/nfs/dbraw/zinc/67/13/04/897671304.db2.gz	WLCHOPQDHYVDJQ-UHOSZYNNSA-N	1	0	359.470	1.722	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(CC)C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000942731222	897700239	/nfs/dbraw/zinc/70/02/39/897700239.db2.gz	VDIQERSDVFFQRS-XYJFISCASA-N	1	0	371.485	1.680	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](OC)C1	ZINC000946543014	897813803	/nfs/dbraw/zinc/81/38/03/897813803.db2.gz	BGJUJOZGWGOBNK-IAGOWNOFSA-N	1	0	365.518	1.661	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000942811857	897828565	/nfs/dbraw/zinc/82/85/65/897828565.db2.gz	SAGIFTGIPDMSTM-SOLBZPMBSA-N	1	0	371.485	1.680	20	30		FDEDRO
CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1	ZINC000942814006	897898563	/nfs/dbraw/zinc/89/85/63/897898563.db2.gz	NIOQEWYAZRBSGP-VNQPRFMTSA-N	1	0	357.458	1.290	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O	ZINC001078082568	897910568	/nfs/dbraw/zinc/91/05/68/897910568.db2.gz	NYLNTIADXJBFGY-FGZHOGPDSA-N	1	0	358.441	1.423	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C/C=C\c3ccccc3)C[C@H]2O)CC1	ZINC001078228517	898436144	/nfs/dbraw/zinc/43/61/44/898436144.db2.gz	UEZQJLNSNDOLEV-NPKYYYDESA-N	1	0	367.493	1.206	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1O	ZINC001078228582	898438490	/nfs/dbraw/zinc/43/84/90/898438490.db2.gz	WNGIHXUZHCGDOC-BRWVUGGUSA-N	1	0	362.499	1.155	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cncs2)C1	ZINC001078402434	898734226	/nfs/dbraw/zinc/73/42/26/898734226.db2.gz	NMSYMPVXUBBNQV-UAGQMJEPSA-N	1	0	365.499	1.831	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@]2(CNC(=O)C34CCC[NH+]3CCC4)CCC[C@@H]12	ZINC000995343776	898768181	/nfs/dbraw/zinc/76/81/81/898768181.db2.gz	KQYXVAQLTDJUGK-GPMSIDNRSA-N	1	0	358.486	1.662	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2scnc2C)C1	ZINC001078471829	898798125	/nfs/dbraw/zinc/79/81/25/898798125.db2.gz	GDKNGLFRMYIVGR-XHSDSOJGSA-N	1	0	365.499	1.750	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2nccn2CC)C1	ZINC001078471688	898798936	/nfs/dbraw/zinc/79/89/36/898798936.db2.gz	BDWPOJWIJRQYEX-BBWFWOEESA-N	1	0	362.474	1.201	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cncc(F)c2)C1	ZINC001078471856	898800623	/nfs/dbraw/zinc/80/06/23/898800623.db2.gz	HAJUUTJWQZPKGI-KSZLIROESA-N	1	0	363.433	1.519	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccns2)C1	ZINC001078473575	898805286	/nfs/dbraw/zinc/80/52/86/898805286.db2.gz	DQGUHDQMBARGLP-IMJJTQAJSA-N	1	0	351.472	1.441	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1	ZINC001078535234	898882419	/nfs/dbraw/zinc/88/24/19/898882419.db2.gz	GZNGZWXRFVQJBT-XHSDSOJGSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000943654777	899131434	/nfs/dbraw/zinc/13/14/34/899131434.db2.gz	QMYURCJVVXKSFS-TXTZMMAHSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=CCN1CC[C@H]([NH+]2CCC(CNC(=O)[C@@H]3CCO[C@H]3CC)CC2)C1=O	ZINC001001674798	899141117	/nfs/dbraw/zinc/14/11/17/899141117.db2.gz	SKQCDDZHSCYGLC-SQNIBIBYSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC=CC2)C3)CC1	ZINC001001775363	899311844	/nfs/dbraw/zinc/31/18/44/899311844.db2.gz	UTKFFGDJAJFDFB-QRVBRYPASA-N	1	0	355.482	1.546	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CCC(=O)N(CC)CC)C[C@H]1C	ZINC001107018469	899557594	/nfs/dbraw/zinc/55/75/94/899557594.db2.gz	JDVSJWXSVUZATB-IAGOWNOFSA-N	1	0	353.507	1.522	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)COc2cccc(C(N)=O)c2)C[C@H]1C	ZINC001107028929	899640727	/nfs/dbraw/zinc/64/07/27/899640727.db2.gz	KDNRTHHFWFAESR-IUODEOHRSA-N	1	0	365.861	1.601	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(OCC3CC3)nc2)C[C@H]1C	ZINC001107035686	899992957	/nfs/dbraw/zinc/99/29/57/899992957.db2.gz	UICXKTHPTKOITD-VQIMIIECSA-N	1	0	371.481	1.818	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC2CC(C)C2)[C@H](C)C1	ZINC001107036666	900001041	/nfs/dbraw/zinc/00/10/41/900001041.db2.gz	OUIPPTSWDAKBGE-MNAZLIDISA-N	1	0	364.534	1.980	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)COCCOCC)C[C@H]1C	ZINC001107042699	900059441	/nfs/dbraw/zinc/05/94/41/900059441.db2.gz	YQLKQQXBGLLKIY-TZMCWYRMSA-N	1	0	363.296	1.632	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2OC)cc1	ZINC000944336655	900169956	/nfs/dbraw/zinc/16/99/56/900169956.db2.gz	DQLJAKDUPVGWSV-GUDVDZBRSA-N	1	0	371.481	1.210	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]Cc2nc(C(C)C)no2)[C@H](C)C1	ZINC001107058930	900302684	/nfs/dbraw/zinc/30/26/84/900302684.db2.gz	IKWNVVLOMPIUFV-HUUCEWRRSA-N	1	0	350.463	1.970	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CCF)[C@H](C)C1	ZINC001107062955	900392648	/nfs/dbraw/zinc/39/26/48/900392648.db2.gz	XNGDBCFSIXFYTG-QLFBSQMISA-N	1	0	353.442	1.023	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2nc(CC)no2)[C@H](C)C1	ZINC001107062236	900442087	/nfs/dbraw/zinc/44/20/87/900442087.db2.gz	DYQVFHYDYSSLLK-QLFBSQMISA-N	1	0	350.463	1.970	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2noc3c2COCC3)[C@H](C)C1	ZINC001107063485	900449786	/nfs/dbraw/zinc/44/97/86/900449786.db2.gz	QCQARPUWRHKPCO-QLFBSQMISA-N	1	0	363.458	1.523	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+][C@H]2CCN(C3CCC3)C2=O)[C@H](C)C1	ZINC001107065482	900454892	/nfs/dbraw/zinc/45/48/92/900454892.db2.gz	PIKGKYOLXIOZPA-NUJGCVRESA-N	1	0	363.502	1.417	20	30		FDEDRO
COCCOCCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1	ZINC001107067348	900470221	/nfs/dbraw/zinc/47/02/21/900470221.db2.gz	AFWPPZAZYLLRJN-VQIMIIECSA-N	1	0	359.470	1.795	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(NC(C)=O)ccc2C)C[C@H]1C	ZINC001107095682	900857806	/nfs/dbraw/zinc/85/78/06/900857806.db2.gz	VYLMCJOKGXKKFD-SJLPKXTDSA-N	1	0	371.481	1.901	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C2CCOCC2)C[C@H]1C	ZINC001107098894	900962012	/nfs/dbraw/zinc/96/20/12/900962012.db2.gz	MGNUOYRKBMVNKI-HLLBOEOZSA-N	1	0	351.491	1.035	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccc(C)nc2OC)[C@@H](n2ccnn2)C1	ZINC001129300941	900972974	/nfs/dbraw/zinc/97/29/74/900972974.db2.gz	JXXYENGOTPZNKD-SJORKVTESA-N	1	0	370.457	1.612	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccn(CC)n2)[C@@H](n2ccnn2)C1	ZINC001129300755	900977845	/nfs/dbraw/zinc/97/78/45/900977845.db2.gz	GTWULDIRKHZRSA-OIISXLGYSA-N	1	0	357.462	1.505	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2coc(C3CC3)n2)[C@@H](n2ccnn2)C1	ZINC001129300762	900978045	/nfs/dbraw/zinc/97/80/45/900978045.db2.gz	HHVRJJRQNRPPLL-ZBFHGGJFSA-N	1	0	356.430	1.765	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)c2cc(C#N)c[nH]2)CC3)CC[N@@H+]1C	ZINC000944898796	900995589	/nfs/dbraw/zinc/99/55/89/900995589.db2.gz	ANHMRNIIDPEPFP-GDBMZVCRSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)CC1	ZINC001079084472	901095460	/nfs/dbraw/zinc/09/54/60/901095460.db2.gz	NMKDGGLXKBLWMN-ZACQAIPSSA-N	1	0	351.491	1.369	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)CC1	ZINC001079084154	901106593	/nfs/dbraw/zinc/10/65/93/901106593.db2.gz	GSLPRTQZPFCLII-KURKYZTESA-N	1	0	365.518	1.759	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNC(=O)c2ccn3c[nH+]cc3c2)CCC1	ZINC001063791608	901116021	/nfs/dbraw/zinc/11/60/21/901116021.db2.gz	DWPYJAFNXJFCAT-SJORKVTESA-N	1	0	368.437	1.694	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(Cc2ccccc2C[NH+]2CCC(O)CC2)C1=O	ZINC000348575330	901323467	/nfs/dbraw/zinc/32/34/67/901323467.db2.gz	AEOLIPNWTSRQHD-SFHVURJKSA-N	1	0	373.453	1.266	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2nccnc2N)C1	ZINC001079130032	901939723	/nfs/dbraw/zinc/93/97/23/901939723.db2.gz	TYIFDDMWAZHCRJ-IAGOWNOFSA-N	1	0	367.453	1.322	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCNC(=O)C2)C1	ZINC001079132416	901945672	/nfs/dbraw/zinc/94/56/72/901945672.db2.gz	LPJDSGRZBFFCMW-IPMKNSEASA-N	1	0	371.481	1.163	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nccnc2N)CC[C@H]1c1ccc(F)cc1	ZINC001079149959	901980627	/nfs/dbraw/zinc/98/06/27/901980627.db2.gz	UZLDWYGUKHOYSQ-JKSUJKDBSA-N	1	0	353.401	1.419	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2nccnc2N)CC[C@H]1c1ccc(F)cc1	ZINC001079149806	901980858	/nfs/dbraw/zinc/98/08/58/901980858.db2.gz	MWVCIBQGJWFUGU-JKSUJKDBSA-N	1	0	355.417	1.972	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)n2cncn2)CC[C@H]1c1ccc(F)cc1	ZINC001079151349	901985533	/nfs/dbraw/zinc/98/55/33/901985533.db2.gz	MRUYOOOQXPXGHH-JCGIZDLHSA-N	1	0	355.417	1.586	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C2CN(C(C)=O)C2)CC[C@H]1c1ccc(F)cc1	ZINC001079151538	901985574	/nfs/dbraw/zinc/98/55/74/901985574.db2.gz	YBKIKJWLHPVYAK-RBUKOAKNSA-N	1	0	359.445	1.764	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[C@H]1c1ccc(F)cc1	ZINC001079152361	901986920	/nfs/dbraw/zinc/98/69/20/901986920.db2.gz	IUXGWRJWHFQXBK-DLBZAZTESA-N	1	0	366.458	1.330	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCNC2=O)CC[C@H]1c1ccc(F)cc1	ZINC001079153591	901989659	/nfs/dbraw/zinc/98/96/59/901989659.db2.gz	OWNYTTJUVIBPCS-BPQIPLTHSA-N	1	0	357.429	1.259	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C2CN(C(C)=O)C2)C1	ZINC001079133597	901994448	/nfs/dbraw/zinc/99/44/48/901994448.db2.gz	PYXHKBISBNNKTQ-WOJBJXKFSA-N	1	0	371.481	1.115	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cn[nH]c(=O)c2)C1	ZINC001079136861	902008021	/nfs/dbraw/zinc/00/80/21/902008021.db2.gz	GXJGXDMACZGTIY-QZTJIDSGSA-N	1	0	368.437	1.446	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCNC(=O)C2)CC[C@H]1c1ccc(F)cc1	ZINC001079154497	902068839	/nfs/dbraw/zinc/06/88/39/902068839.db2.gz	GMWSHSLVMSYDLE-WAOWUJCRSA-N	1	0	371.456	1.649	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2OC)CC[C@H]1c1ccc(F)cc1	ZINC001079155458	902071731	/nfs/dbraw/zinc/07/17/31/902071731.db2.gz	AZHHOXMDDMRNLR-FUHWJXTLSA-N	1	0	370.428	1.789	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)s2)C[C@H]1c1cccc(F)c1	ZINC001079203554	902104454	/nfs/dbraw/zinc/10/44/54/902104454.db2.gz	AENZLNSQUDMNRW-LSDHHAIUSA-N	1	0	371.437	1.817	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nc3ncccn3n2)C[C@H]1c1cccc(F)c1	ZINC001079203888	902106450	/nfs/dbraw/zinc/10/64/50/902106450.db2.gz	UXVOTNQBZBMVHM-JKSUJKDBSA-N	1	0	364.384	1.094	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc3ncccn3n2)C[C@H]1c1cccc(F)c1	ZINC001079204738	902108053	/nfs/dbraw/zinc/10/80/53/902108053.db2.gz	JINMJPPWUHLENO-FUHWJXTLSA-N	1	0	363.396	1.699	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccnc3[nH]cnc32)C[C@H]1c1cccc(F)c1	ZINC001079185152	902129016	/nfs/dbraw/zinc/12/90/16/902129016.db2.gz	DUSXCVDCWNRBTP-DLBZAZTESA-N	1	0	363.396	1.928	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2ccn(C)n2)C[C@H]1c1cccc(F)c1	ZINC001079186461	902131928	/nfs/dbraw/zinc/13/19/28/902131928.db2.gz	MXRBOTZQXWMLJQ-RBUKOAKNSA-N	1	0	354.429	1.709	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC(=O)NC2)C[C@H]1c1cccc(F)c1	ZINC001079186514	902132181	/nfs/dbraw/zinc/13/21/81/902132181.db2.gz	PACFXAFPBINCCY-FHLIZLRMSA-N	1	0	357.429	1.259	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@]2(CC)CCNC2=O)C[C@H]1c1cccc(F)c1	ZINC001079187561	902135200	/nfs/dbraw/zinc/13/52/00/902135200.db2.gz	MOKYLVLZTMPMHA-SQGPQFPESA-N	1	0	357.429	1.259	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)COCC3)C[C@H]1c1cccc(F)c1	ZINC001079188540	902137128	/nfs/dbraw/zinc/13/71/28/902137128.db2.gz	DUECCQLBMWHVGM-DLBZAZTESA-N	1	0	370.428	1.936	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1c1cccc(F)c1	ZINC001079189159	902139951	/nfs/dbraw/zinc/13/99/51/902139951.db2.gz	FYHUANYTMQRDSD-ZWKOTPCHSA-N	1	0	353.397	1.355	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn3cccnc3n2)C[C@H]1c1cccc(F)c1	ZINC001079189677	902143074	/nfs/dbraw/zinc/14/30/74/902143074.db2.gz	WJHAYFINZJBPPL-DLBZAZTESA-N	1	0	363.396	1.699	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]CC(N)=O)C2)cc1	ZINC001079193497	902152777	/nfs/dbraw/zinc/15/27/77/902152777.db2.gz	GNDOPWAZKVLXAN-RBUKOAKNSA-N	1	0	365.408	1.490	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1c1cccc(F)c1	ZINC001079193490	902152928	/nfs/dbraw/zinc/15/29/28/902152928.db2.gz	GGHCJIBRWYTLHH-OWCLPIDISA-N	1	0	365.836	1.598	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)C[C@H]1c1cccc(F)c1	ZINC001079195439	902157206	/nfs/dbraw/zinc/15/72/06/902157206.db2.gz	VLZCTMAFTVGPJI-SQGPQFPESA-N	1	0	359.445	1.812	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@H]2c2cccc(F)c2)c1	ZINC001079196176	902158743	/nfs/dbraw/zinc/15/87/43/902158743.db2.gz	ANHCSPYIKRELNU-ZWKOTPCHSA-N	1	0	366.396	1.267	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cncc(C(N)=O)c2)C[C@H]1c1cccc(F)c1	ZINC001079211181	902159309	/nfs/dbraw/zinc/15/93/09/902159309.db2.gz	UXNBUZDTXBIEFR-ZWKOTPCHSA-N	1	0	368.412	1.703	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCn2cc(C)cn2)C[C@H]1c1cccc(F)c1	ZINC001079211191	902162518	/nfs/dbraw/zinc/16/25/18/902162518.db2.gz	VCTVGGSVSHHYKF-RBUKOAKNSA-N	1	0	354.429	1.938	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cc(C#N)c[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079233821	902169874	/nfs/dbraw/zinc/16/98/74/902169874.db2.gz	YEYXSXAMBIDSFE-FUHWJXTLSA-N	1	0	352.438	1.463	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC3(CC[NH+](CCCF)CC3)[C@H]3COC[C@H]32)c[nH]1	ZINC001079235532	902174699	/nfs/dbraw/zinc/17/46/99/902174699.db2.gz	DELFHXUMUYKWSV-DLBZAZTESA-N	1	0	360.433	1.799	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3cc(C)ncn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079236875	902177240	/nfs/dbraw/zinc/17/72/40/902177240.db2.gz	ASXRVBISJCYODG-FUHWJXTLSA-N	1	0	356.470	1.914	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)[C@H](C)n3cccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079225068	902231637	/nfs/dbraw/zinc/23/16/37/902231637.db2.gz	SHRQZMGQYDQVPW-OKZBNKHCSA-N	1	0	358.486	1.960	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCCO3)[C@@H]3COC[C@@H]32)CC1	ZINC001079226149	902236457	/nfs/dbraw/zinc/23/64/57/902236457.db2.gz	MZFKNWIUUMQHCL-GBESFXJTSA-N	1	0	360.498	1.908	20	30		FDEDRO
Cc1ncc(C[NH+]2CCC3(CN(C(=O)[C@@H](C)C#N)[C@@H]4COC[C@@H]43)CC2)o1	ZINC001079228214	902241001	/nfs/dbraw/zinc/24/10/01/902241001.db2.gz	BOYSHUPMJWBZGK-RRQGHBQHSA-N	1	0	358.442	1.582	20	30		FDEDRO
Cc1ncccc1C[NH+]1CCC2(CN(C(=O)[C@@H](C)C#N)[C@@H]3COC[C@@H]32)CC1	ZINC001079228695	902245050	/nfs/dbraw/zinc/24/50/50/902245050.db2.gz	WEYYVFOXVFXNRV-ZYSHUDEJSA-N	1	0	368.481	1.989	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3nccnc3N)[C@@H]3COC[C@@H]32)CC1	ZINC001079229670	902246825	/nfs/dbraw/zinc/24/68/25/902246825.db2.gz	KZFGBTMACOSPND-LSDHHAIUSA-N	1	0	357.458	1.188	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)CCc3ccncn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079244844	902250960	/nfs/dbraw/zinc/25/09/60/902250960.db2.gz	IPNWYQGCVBAVQH-ZWKOTPCHSA-N	1	0	356.470	1.535	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCc4nccn43)[C@@H]3COC[C@@H]32)CC1	ZINC001079245887	902255595	/nfs/dbraw/zinc/25/55/95/902255595.db2.gz	LCYOQVBDOVTUTP-RCCFBDPRSA-N	1	0	370.497	1.886	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)CCc3cncnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079251066	902270674	/nfs/dbraw/zinc/27/06/74/902270674.db2.gz	DGUXJFRCHPSIRR-RBUKOAKNSA-N	1	0	368.481	1.372	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)CCc3ccon3)[C@@H]3COC[C@@H]32)CC1	ZINC001079251114	902271013	/nfs/dbraw/zinc/27/10/13/902271013.db2.gz	GNAJHYBDYXIPTN-ZWKOTPCHSA-N	1	0	357.454	1.570	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3c(C)nn(C)c3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079254734	902282531	/nfs/dbraw/zinc/28/25/31/902282531.db2.gz	RWROWXYZXAADMA-ZWKOTPCHSA-N	1	0	370.497	1.613	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3Cc4ccccc43)[C@@H]3COC[C@@H]32)CC1	ZINC001079257191	902289252	/nfs/dbraw/zinc/28/92/52/902289252.db2.gz	ZBJJTHAKZBOGBH-HSALFYBXSA-N	1	0	350.462	1.899	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(CC[NH+](CCF)CC2)[C@H]2COC[C@H]21	ZINC001079262007	902301693	/nfs/dbraw/zinc/30/16/93/902301693.db2.gz	WFPOIPLFHRNZMO-TWMKSMIVSA-N	1	0	352.450	1.486	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079262776	902301889	/nfs/dbraw/zinc/30/18/89/902301889.db2.gz	AKSHFDLBIDJAEZ-ZSYWTGECSA-N	1	0	368.481	1.096	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3cn(CC)nn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079268005	902318325	/nfs/dbraw/zinc/31/83/25/902318325.db2.gz	HGVZGUGFZMNARZ-DOTOQJQBSA-N	1	0	359.474	1.427	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc4c([nH]3)CCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079270459	902329880	/nfs/dbraw/zinc/32/98/80/902329880.db2.gz	SLZNRVVKXJINHC-QFBILLFUSA-N	1	0	353.466	1.690	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cccn(C)c3=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079270383	902330072	/nfs/dbraw/zinc/33/00/72/902330072.db2.gz	PJHPUQSDBSXVTF-DLBZAZTESA-N	1	0	357.454	1.124	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cccc(OC)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079271535	902333728	/nfs/dbraw/zinc/33/37/28/902333728.db2.gz	UAZIRDVYDCNBLJ-RBUKOAKNSA-N	1	0	354.450	1.881	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc(C)nnc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079242436	902337114	/nfs/dbraw/zinc/33/71/14/902337114.db2.gz	YQVMTLMZVAAQBS-ZWKOTPCHSA-N	1	0	354.454	1.280	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc3ncnn32)C[C@H]1c1ccccc1F	ZINC001079301519	902349551	/nfs/dbraw/zinc/34/95/51/902349551.db2.gz	BEZUNAQYPYZWIT-DOTOQJQBSA-N	1	0	363.396	1.699	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1c1ccccc1F	ZINC001079282111	902371912	/nfs/dbraw/zinc/37/19/12/902371912.db2.gz	NMPSZLJHPSWCNR-FUHWJXTLSA-N	1	0	359.445	1.908	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc3ncccn3n2)C[C@H]1c1ccccc1F	ZINC001079317123	902414634	/nfs/dbraw/zinc/41/46/34/902414634.db2.gz	QBGQDPOUNTVOGV-MAUKXSAKSA-N	1	0	363.396	1.699	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)C2)C[C@H]1c1ccccc1F	ZINC001079317865	902417321	/nfs/dbraw/zinc/41/73/21/902417321.db2.gz	SYMPYMZOWAEJED-QILLFSRXSA-N	1	0	357.429	1.211	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3n[nH]nc3C2)C[C@H]1c1ccccc1F	ZINC001079318709	902418845	/nfs/dbraw/zinc/41/88/45/902418845.db2.gz	UIVITGYHOUMTMC-ZUEVXXBESA-N	1	0	369.444	1.819	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3n[nH]nc3C2)C[C@H]1c1ccccc1F	ZINC001079318642	902419037	/nfs/dbraw/zinc/41/90/37/902419037.db2.gz	QDFHACQSCSSBLK-ZUEVXXBESA-N	1	0	367.428	1.266	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)c1cnsn1	ZINC001079444533	902617357	/nfs/dbraw/zinc/61/73/57/902617357.db2.gz	YJQFNARMRMAHBU-MLGOLLRUSA-N	1	0	357.439	1.691	20	30		FDEDRO
Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]2C)o1	ZINC001079658898	902972109	/nfs/dbraw/zinc/97/21/09/902972109.db2.gz	NLTJUZNUSUMWSV-CXAGYDPISA-N	1	0	369.425	1.460	20	30		FDEDRO
C[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001079710439	903120453	/nfs/dbraw/zinc/12/04/53/903120453.db2.gz	IUIVBEFHABGYLY-CDHQVMDDSA-N	1	0	352.482	1.837	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[NH+]3CCC2CC3)c[nH]1	ZINC000996126974	903161822	/nfs/dbraw/zinc/16/18/22/903161822.db2.gz	NZUTXKQPARUZQN-BDXSIMOUSA-N	1	0	367.453	1.090	20	30		FDEDRO
C[C@@H]1CN(C(=O)COc2cccc(C#N)c2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000764067222	903363098	/nfs/dbraw/zinc/36/30/98/903363098.db2.gz	GUUVIRVENINNBP-VQIMIIECSA-N	1	0	356.470	1.421	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1ccc2n[nH]nc2n1	ZINC001079809325	903397432	/nfs/dbraw/zinc/39/74/32/903397432.db2.gz	QCZWFSRWDYGRPF-SJKOYZFVSA-N	1	0	361.409	1.475	20	30		FDEDRO
Cc1c(CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2C)cnn1C	ZINC001079827555	903417966	/nfs/dbraw/zinc/41/79/66/903417966.db2.gz	GUTVSXKASTWMGX-AUUYWEPGSA-N	1	0	351.454	1.779	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1ccnc2ccnn21	ZINC001079838913	903468704	/nfs/dbraw/zinc/46/87/04/903468704.db2.gz	SIBODAILBMPPLU-RHSMWYFYSA-N	1	0	360.421	1.851	20	30		FDEDRO
CCC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1)C(C)C	ZINC001112538885	903712119	/nfs/dbraw/zinc/71/21/19/903712119.db2.gz	ZKAUIDBGCHMNJA-QKLQHJQFSA-N	1	0	362.518	1.917	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2snnc2C)C(C)(C)C1	ZINC000996331995	903715067	/nfs/dbraw/zinc/71/50/67/903715067.db2.gz	VSWIMPCELIPZQP-IPYPFGDCSA-N	1	0	350.488	1.764	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)C(C)(C)[N@H+](C)CC)C1	ZINC001079997636	903841481	/nfs/dbraw/zinc/84/14/81/903841481.db2.gz	YCKAQXZZQKSBLU-CVEARBPZSA-N	1	0	351.491	1.367	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1CCN(C)C(=O)C1	ZINC001079977076	903871045	/nfs/dbraw/zinc/87/10/45/903871045.db2.gz	HBKPKUNGGPPYLW-ZTFGCOKTSA-N	1	0	354.454	1.363	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)CC1(C)C	ZINC000996409833	903875035	/nfs/dbraw/zinc/87/50/35/903875035.db2.gz	YDZGBBJZAHEXFK-BZUAXINKSA-N	1	0	366.893	1.867	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1C	ZINC001079977711	903875484	/nfs/dbraw/zinc/87/54/84/903875484.db2.gz	GJKQTRDYGHJENP-KBAYOESNSA-N	1	0	371.481	1.922	20	30		FDEDRO
CCN1CCOC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001084468773	914782636	/nfs/dbraw/zinc/78/26/36/914782636.db2.gz	AYRYUDWJFPHNBH-VAMGGRTRSA-N	1	0	368.481	1.312	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@@]3(CNC(=O)C(C)(F)F)CCC[C@@H]23)C1=O	ZINC001107259850	904185770	/nfs/dbraw/zinc/18/57/70/904185770.db2.gz	MGUDKZKSUVJOOF-HBUWYVDXSA-N	1	0	355.429	1.789	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCOCC(C)C)CCC[C@@H]12	ZINC001107298835	904346140	/nfs/dbraw/zinc/34/61/40/904346140.db2.gz	VNSSNEOCDPGNSG-YLJYHZDGSA-N	1	0	363.502	1.159	20	30		FDEDRO
CCS(=O)(=O)CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)C#N)CCC[C@@H]12	ZINC001107338649	904513206	/nfs/dbraw/zinc/51/32/06/904513206.db2.gz	SRRBVEBUNORHEO-ZMSDIMECSA-N	1	0	355.504	1.332	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)Nc1ccc(O)cc1)CC2	ZINC001107338917	904514804	/nfs/dbraw/zinc/51/48/04/904514804.db2.gz	YSKOHCQSPFSZAR-WIBUTAKZSA-N	1	0	370.453	1.851	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1	ZINC000764373541	904514931	/nfs/dbraw/zinc/51/49/31/904514931.db2.gz	OCOWOTJSBCVCHZ-UHFFFAOYSA-N	1	0	354.454	1.499	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@@H+]1CC[C@@]2(CNC(=O)CC(N)=O)CCC[C@@H]12	ZINC001107345099	904540151	/nfs/dbraw/zinc/54/01/51/904540151.db2.gz	XPKHOYMKXDDVDL-YLJYHZDGSA-N	1	0	370.453	1.303	20	30		FDEDRO
Cc1cccnc1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107349649	904551254	/nfs/dbraw/zinc/55/12/54/904551254.db2.gz	KTDIRZDQYWMMQS-DNVCBOLYSA-N	1	0	355.442	1.004	20	30		FDEDRO
C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCCCCOC)CC2	ZINC001107373870	904603092	/nfs/dbraw/zinc/60/30/92/904603092.db2.gz	DRLDFZBQZUZOCL-YLJYHZDGSA-N	1	0	363.502	1.303	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC1CC1)CC2	ZINC001107378785	904622203	/nfs/dbraw/zinc/62/22/03/904622203.db2.gz	MNFGSSDEAPWFMS-LSTHTHJFSA-N	1	0	363.502	1.201	20	30		FDEDRO
C[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2)n1cccc1	ZINC001107367609	904624244	/nfs/dbraw/zinc/62/42/44/904624244.db2.gz	FILCZZJKCUSYGS-GPMSIDNRSA-N	1	0	357.458	1.050	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCNC(=O)C1CC1)CC2	ZINC001107380863	904648462	/nfs/dbraw/zinc/64/84/62/904648462.db2.gz	BOBGZCWWFLFKQV-NSISKUIASA-N	1	0	363.502	1.201	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCOC)CC2	ZINC001107381305	904649466	/nfs/dbraw/zinc/64/94/66/904649466.db2.gz	HWIVIKMAOAVGMB-NZSAHSFTSA-N	1	0	354.491	1.337	20	30		FDEDRO
CC(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N[C@@H](C)C1CC1)CC2	ZINC001107396921	904712459	/nfs/dbraw/zinc/71/24/59/904712459.db2.gz	OWVSYYPZQZQNKZ-YRISNDGFSA-N	1	0	359.514	1.921	20	30		FDEDRO
CO[C@@H]1C[N@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC001081507458	904719812	/nfs/dbraw/zinc/71/98/12/904719812.db2.gz	XIRMCWLOVYGYOB-NILFDRSVSA-N	1	0	352.385	1.751	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccn(C)c(=O)c1)CC2	ZINC001107401654	904782212	/nfs/dbraw/zinc/78/22/12/904782212.db2.gz	XXNUZTQYKVXUJW-YRISNDGFSA-N	1	0	371.481	1.284	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)NS(=O)(=O)CC)CCC[C@@H]12	ZINC001107413351	904815736	/nfs/dbraw/zinc/81/57/36/904815736.db2.gz	BNVNBFQNOWSAJX-ZMSDIMECSA-N	1	0	357.520	1.251	20	30		FDEDRO
CNC(=O)NCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccc(C#N)cc1)CC2	ZINC001107429513	904869056	/nfs/dbraw/zinc/86/90/56/904869056.db2.gz	PMLWHCMBTNTDND-YLJYHZDGSA-N	1	0	369.469	1.348	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc4cccn4cn3)CCC[C@@H]12	ZINC001107446505	904959292	/nfs/dbraw/zinc/95/92/92/904959292.db2.gz	KOGPKWXTECKQJO-TZIWHRDSSA-N	1	0	366.465	1.959	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)COCc3cc[nH]c(=O)c3)CCC[C@@H]12	ZINC001107448870	904967201	/nfs/dbraw/zinc/96/72/01/904967201.db2.gz	YYVQXZJRWREEGJ-YLJYHZDGSA-N	1	0	357.454	1.688	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3ccccc3)CCC[C@@H]12	ZINC001107454097	905008677	/nfs/dbraw/zinc/00/86/77/905008677.db2.gz	SABAKKMKQAULHM-WIYYLYMNSA-N	1	0	355.482	1.892	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CCS(=O)(=O)C3)CCC[C@@H]12	ZINC001107464984	905030509	/nfs/dbraw/zinc/03/05/09/905030509.db2.gz	CEXXVSNLWTTYLZ-LZLYRXPVSA-N	1	0	352.500	1.195	20	30		FDEDRO
C=CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCNC(=O)C(F)(F)F)C2	ZINC001111650119	905057608	/nfs/dbraw/zinc/05/76/08/905057608.db2.gz	GKDAWVIUVFLINU-BBRMVZONSA-N	1	0	361.408	1.992	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(NC(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000996758582	905173386	/nfs/dbraw/zinc/17/33/86/905173386.db2.gz	TUGIYIPIWZPPCC-ROUUACIJSA-N	1	0	368.437	1.646	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)Cn3nc4ccccn4c3=O)CCC[C@@H]12	ZINC001107494623	905193916	/nfs/dbraw/zinc/19/39/16/905193916.db2.gz	QWWDQVGWSZXPOL-OXQOHEQNSA-N	1	0	369.469	1.433	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)C3(n4cnnn4)CCCCC3)CCC[C@@H]12	ZINC001107495050	905197453	/nfs/dbraw/zinc/19/74/53/905197453.db2.gz	IAGWHEZDLBVHRF-SJLPKXTDSA-N	1	0	356.474	1.327	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC)CC2	ZINC001107488636	905211510	/nfs/dbraw/zinc/21/15/10/905211510.db2.gz	QRQISQRISHFNGW-ATZDWAIDSA-N	1	0	351.491	1.322	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC3(C)C)CCC[C@@H]12	ZINC001107500708	905239755	/nfs/dbraw/zinc/23/97/55/905239755.db2.gz	OZVBMCCRPUQVOW-CSODHUTKSA-N	1	0	359.514	1.923	20	30		FDEDRO
C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C1CC[NH+](C)CC1	ZINC001080377096	905332809	/nfs/dbraw/zinc/33/28/09/905332809.db2.gz	ABIMIHCBGCHDQT-AUUYWEPGSA-N	1	0	358.461	1.976	20	30		FDEDRO
C=CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCN1C(=O)CNC1=O)CC2	ZINC001107523985	905362491	/nfs/dbraw/zinc/36/24/91/905362491.db2.gz	AKEGPCYNDNPKOR-DNVCBOLYSA-N	1	0	362.474	1.255	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(N)=O)CC2	ZINC001107532558	905399566	/nfs/dbraw/zinc/39/95/66/905399566.db2.gz	ZWNPBTMDMYMMSL-JEBQAFNWSA-N	1	0	350.463	1.144	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CC3=CCOCC3)CCC[C@@H]12	ZINC001107537002	905428459	/nfs/dbraw/zinc/42/84/59/905428459.db2.gz	MQEKCQTUOQCQFT-YLJYHZDGSA-N	1	0	361.486	1.386	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC#CCOC)CC3)c1	ZINC001107537825	905434029	/nfs/dbraw/zinc/43/40/29/905434029.db2.gz	BBPSBLSEFYKPPS-TZIWHRDSSA-N	1	0	351.450	1.687	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@]34C[C@H]3CCCC4)CCC[C@@H]12	ZINC001107538289	905435350	/nfs/dbraw/zinc/43/53/50/905435350.db2.gz	KTKGCAQEDXQYII-XNFNUYLZSA-N	1	0	358.486	1.567	20	30		FDEDRO
C=C1CC(C)(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NC(=O)NC)CC3)C1	ZINC001107543689	905471564	/nfs/dbraw/zinc/47/15/64/905471564.db2.gz	TZWOIMRHQFWIJT-AUUYWEPGSA-N	1	0	362.474	1.159	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H](OC)C3CCC3)C[C@H]2OC)cc1	ZINC001082012868	905555873	/nfs/dbraw/zinc/55/58/73/905555873.db2.gz	NIAHYHOHNRKSTN-HSALFYBXSA-N	1	0	356.466	1.912	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCn3nc(C)cc3C)C[C@H]2OC)cc1	ZINC001082013019	905558187	/nfs/dbraw/zinc/55/81/87/905558187.db2.gz	VLMOODVZZHQLQX-WOJBJXKFSA-N	1	0	366.465	1.610	20	30		FDEDRO
COc1c(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)c(C)nn1C	ZINC001080542570	905601734	/nfs/dbraw/zinc/60/17/34/905601734.db2.gz	GIIFDOPDACJSSJ-CXAGYDPISA-N	1	0	367.453	1.859	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCC[C@@H](C)O)CC3)nn1	ZINC001107571346	905653548	/nfs/dbraw/zinc/65/35/48/905653548.db2.gz	YAEUBUFOEKHTSP-SZVBFZGTSA-N	1	0	361.490	1.600	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)COC[C@H]3CCOC3)CCC[C@@H]12	ZINC001107564422	905664580	/nfs/dbraw/zinc/66/45/80/905664580.db2.gz	VLMKHEZNHUYCRY-NLWGTHIKSA-N	1	0	364.486	1.050	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCc3csc(C)n3)C[C@H]2C)nn1	ZINC001080580181	905736285	/nfs/dbraw/zinc/73/62/85/905736285.db2.gz	MXOUXDJAGDQOKU-IUODEOHRSA-N	1	0	360.487	1.522	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)Cn3c(C)cc(C)nc3=O)CCC[C@@H]12	ZINC001107591110	905814661	/nfs/dbraw/zinc/81/46/61/905814661.db2.gz	SQSPFCQNHRWQRQ-YLJYHZDGSA-N	1	0	356.470	1.244	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)C3CCCCC3)C[C@H]2OC)c1	ZINC001082117269	905830072	/nfs/dbraw/zinc/83/00/72/905830072.db2.gz	VXPXKXUYPYRKTH-HSALFYBXSA-N	1	0	371.481	1.433	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CC3CC(OCC)C3)C[C@H]2OC)c1	ZINC001082117198	905830840	/nfs/dbraw/zinc/83/08/40/905830840.db2.gz	RNMAFYULPMXOKS-JDGDGYACSA-N	1	0	357.454	1.307	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2CC[C@@]3(CNC(=O)Cc4nc[nH]n4)CCC[C@@H]23)c1	ZINC001107603990	905942793	/nfs/dbraw/zinc/94/27/93/905942793.db2.gz	BMKJNNTXNLPDGE-YLJYHZDGSA-N	1	0	364.453	1.780	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCOCCO)CC3)nc1	ZINC001107609831	905965569	/nfs/dbraw/zinc/96/55/69/905965569.db2.gz	GQUMSWFYNLOBKD-UYAOXDASSA-N	1	0	357.454	1.046	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)CCS(=O)(=O)N(C)C)CCC[C@@H]12	ZINC001107640659	906199920	/nfs/dbraw/zinc/19/99/20/906199920.db2.gz	BLMUMUCJXLSRHP-NVXWUHKLSA-N	1	0	357.520	1.205	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCc3ccccc3CC)C[C@H]2O)c1	ZINC001077648214	906205771	/nfs/dbraw/zinc/20/57/71/906205771.db2.gz	AAUMLNKNLLWHPO-NHCUHLMSSA-N	1	0	363.461	1.643	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cccnc3OCCOC)CCC[C@@H]12	ZINC001107643665	906218985	/nfs/dbraw/zinc/21/89/85/906218985.db2.gz	QNNGWYLLAIQACU-YLJYHZDGSA-N	1	0	357.454	1.714	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2c(F)cccc2NC(N)=O)[C@H](OC)C1	ZINC001082187605	906232229	/nfs/dbraw/zinc/23/22/29/906232229.db2.gz	STMZPNDFTFIOSW-HUUCEWRRSA-N	1	0	364.421	1.712	20	30		FDEDRO
C[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001080779516	906245592	/nfs/dbraw/zinc/24/55/92/906245592.db2.gz	RAAKVYGPDXCXOV-SIXWZSSISA-N	1	0	358.461	1.976	20	30		FDEDRO
CCc1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC#CCOC)CC3)nn1C	ZINC001107654989	906256575	/nfs/dbraw/zinc/25/65/75/906256575.db2.gz	OIHXMTJLMKVLEG-UYAOXDASSA-N	1	0	358.486	1.607	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3C(C)=O)CCC[C@@H]12	ZINC001107647886	906275241	/nfs/dbraw/zinc/27/52/41/906275241.db2.gz	YZNMRALJNDMNBY-QWFCFKBJSA-N	1	0	361.486	1.008	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1C	ZINC001080805427	906288280	/nfs/dbraw/zinc/28/82/80/906288280.db2.gz	RPVBSPZCPFLURP-CRAIPNDOSA-N	1	0	357.454	1.713	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1C	ZINC001080806709	906289774	/nfs/dbraw/zinc/28/97/74/906289774.db2.gz	BYWAXJHZXGZBJR-CRAIPNDOSA-N	1	0	357.454	1.570	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CC3CCC(C)CC3)C[C@H]2OC)nn1	ZINC001082212866	906295832	/nfs/dbraw/zinc/29/58/32/906295832.db2.gz	GQUZXZMDCUPNNC-AJTLQJAISA-N	1	0	361.490	1.719	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1CCCC(=O)N1C	ZINC001080869689	906524253	/nfs/dbraw/zinc/52/42/53/906524253.db2.gz	UWUONWXRAJODMD-ZTFGCOKTSA-N	1	0	354.454	1.506	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc(-n3ccnc3)ccn2)[C@H](OC)C1	ZINC001082296831	906653808	/nfs/dbraw/zinc/65/38/08/906653808.db2.gz	XYZZFFGBURCIRA-QZTJIDSGSA-N	1	0	355.442	1.663	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2CCC(C(=O)N(C)C)CC2)[C@H](OC)C1	ZINC001082322457	906868199	/nfs/dbraw/zinc/86/81/99/906868199.db2.gz	VKOHFLOCRYWBPN-OPQOLIRYSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2cc(OC)ns2)CC1	ZINC000997012828	906929065	/nfs/dbraw/zinc/92/90/65/906929065.db2.gz	WTIMFVWHUHOXEQ-CABCVRRESA-N	1	0	351.472	1.823	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2cccc(C(=O)NC)c2)CC1	ZINC000997013043	906931990	/nfs/dbraw/zinc/93/19/90/906931990.db2.gz	YIPGKBASPBPRBD-MOPGFXCFSA-N	1	0	371.481	1.718	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCC(C)(C)CC2)C[C@H]1O	ZINC001077698105	906939664	/nfs/dbraw/zinc/93/96/64/906939664.db2.gz	SLFHPALSXYUEMI-TVFCKZIOSA-N	1	0	350.503	1.955	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)Cc3ccc(C)s3)C2)C1=O	ZINC001080996034	906965284	/nfs/dbraw/zinc/96/52/84/906965284.db2.gz	AZHDXDDRVUYNKW-KBRIMQKVSA-N	1	0	361.511	1.822	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3cc(C)ns3)C[C@H]2C)CC1	ZINC001080997900	906973891	/nfs/dbraw/zinc/97/38/91/906973891.db2.gz	OHHSXIXMXMJOCU-RDTXWAMCSA-N	1	0	360.527	1.733	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN([C@@H](C)c3cnccn3)C[C@H]2C)CC1	ZINC001080998102	906975763	/nfs/dbraw/zinc/97/57/63/906975763.db2.gz	SLGHULPVCXLRBN-JTDSTZFVSA-N	1	0	355.486	1.319	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCS(=O)(=O)C1)C2	ZINC001112539327	906985558	/nfs/dbraw/zinc/98/55/58/906985558.db2.gz	UYEFCXWXPORZSC-LNLFQRSKSA-N	1	0	368.543	1.996	20	30		FDEDRO
COc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2c2ccccc2)on1	ZINC001081098566	907163996	/nfs/dbraw/zinc/16/39/96/907163996.db2.gz	HWOUTGMBLUGYBA-RRQGHBQHSA-N	1	0	354.410	1.927	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([NH2+][C@H]2CCN(CC)C2=O)CC1	ZINC000997082196	907203714	/nfs/dbraw/zinc/20/37/14/907203714.db2.gz	CMOMOAJVOFONJY-BZSNNMDCSA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCS(=O)(=O)C2)C[C@H]1c1ccccc1	ZINC001081140925	907249007	/nfs/dbraw/zinc/24/90/07/907249007.db2.gz	FKLWNAIDTQRWPR-RYQLBKOJSA-N	1	0	360.479	1.029	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(C)c(C)nn(C)c2=O)C[C@H]1c1ccccc1	ZINC001081156539	907274498	/nfs/dbraw/zinc/27/44/98/907274498.db2.gz	OJRUMFRXMJUNMQ-ZWKOTPCHSA-N	1	0	364.449	1.228	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccnc(-n3ccnc3)c2)[C@H](OC)C1	ZINC001082375583	907298148	/nfs/dbraw/zinc/29/81/48/907298148.db2.gz	CIRZKHGLKSOFBT-IAGOWNOFSA-N	1	0	355.442	1.663	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCS2(=O)=O)C[C@H]1c1ccccc1	ZINC001081125828	907306810	/nfs/dbraw/zinc/30/68/10/907306810.db2.gz	RYKMPQVTHFYGEG-RCCFBDPRSA-N	1	0	360.479	1.171	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CC)C[C@H]1c1ccccc1	ZINC001081208833	907314638	/nfs/dbraw/zinc/31/46/38/907314638.db2.gz	NKFAYEVNOXULLP-CEXWTWQISA-N	1	0	353.466	1.605	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3n[nH]nc3C2)C[C@H]1c1ccccc1	ZINC001081213849	907322073	/nfs/dbraw/zinc/32/20/73/907322073.db2.gz	ROVOMCYGRFPINX-TXPKVOOTSA-N	1	0	351.454	1.680	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1	ZINC001081176931	907345834	/nfs/dbraw/zinc/34/58/34/907345834.db2.gz	ROEDXVJSJYRQMU-RCCFBDPRSA-N	1	0	353.466	1.815	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCC)C2)C[C@H]1c1ccccc1	ZINC001081188630	907364946	/nfs/dbraw/zinc/36/49/46/907364946.db2.gz	CLQRFAIJQVTRAA-GBESFXJTSA-N	1	0	353.466	1.462	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCCN2C(=O)C(C)C)[C@H](OC)C1	ZINC001082382559	907366936	/nfs/dbraw/zinc/36/69/36/907366936.db2.gz	KCVURHYQONIMCO-KZNAEPCWSA-N	1	0	365.518	1.805	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCO)C2)cc1	ZINC001081190675	907367869	/nfs/dbraw/zinc/36/78/69/907367869.db2.gz	OBLNMXYRKWYFTL-LEWJYISDSA-N	1	0	364.445	1.889	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN2C(=O)CCC)[C@H](OC)C1	ZINC001082382767	907368540	/nfs/dbraw/zinc/36/85/40/907368540.db2.gz	SVGOBZBBJAGQAU-BRWVUGGUSA-N	1	0	351.491	1.559	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1C	ZINC001082420469	907593159	/nfs/dbraw/zinc/59/31/59/907593159.db2.gz	RJEQGYOPKYWUNI-CXAGYDPISA-N	1	0	353.426	1.551	20	30		FDEDRO
Cc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3F)C2)cnn1C	ZINC001082425542	907661535	/nfs/dbraw/zinc/66/15/35/907661535.db2.gz	RFGUXVIVWNAHCQ-KZULUSFZSA-N	1	0	355.417	1.990	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)CC1	ZINC000997140887	907663556	/nfs/dbraw/zinc/66/35/56/907663556.db2.gz	BMADXWIERVIVTR-SZVBFZGTSA-N	1	0	358.486	1.831	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2cnsn2)C[C@H]1C	ZINC001082436071	907716489	/nfs/dbraw/zinc/71/64/89/907716489.db2.gz	BFPFJBATZZCWBB-IAQYHMDHSA-N	1	0	357.439	1.669	20	30		FDEDRO
COc1ccc2c(C[NH2+][C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C)cc(=O)oc2c1	ZINC001082451249	907729983	/nfs/dbraw/zinc/72/99/83/907729983.db2.gz	UQPWZEWPKKSNTA-OGHNNQOOSA-N	1	0	369.421	1.898	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccc(OCC#N)cc2)CC[N@@H+]1C	ZINC001032410780	907889186	/nfs/dbraw/zinc/88/91/86/907889186.db2.gz	URPMXUVEPVSUEW-HGKSCXNLSA-N	1	0	368.481	1.714	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C)C(=O)N1CCCCC1	ZINC001082464885	907899765	/nfs/dbraw/zinc/89/97/65/907899765.db2.gz	PBABJFKLXOLYKD-CKEIUWERSA-N	1	0	357.458	1.337	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2nnc[nH]2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082465581	907901226	/nfs/dbraw/zinc/90/12/26/907901226.db2.gz	BTAUJFCKSATQOT-MLGOLLRUSA-N	1	0	356.405	1.385	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1)n1cncn1	ZINC001082481550	907955318	/nfs/dbraw/zinc/95/53/18/907955318.db2.gz	BRGXOOFCVPNRPF-IIYDPXPESA-N	1	0	356.405	1.487	20	30		FDEDRO
CNC(=O)c1cccc(C[NH2+][C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)c1	ZINC001082482016	907958074	/nfs/dbraw/zinc/95/80/74/907958074.db2.gz	BPIYMZHVJSQUPC-FZKQIMNGSA-N	1	0	365.437	1.496	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)C3=CCOCC3)C[C@H]2C)cc1C#N	ZINC001082486482	907979070	/nfs/dbraw/zinc/97/90/70/907979070.db2.gz	IOBXTHMSHBBOIY-RDTXWAMCSA-N	1	0	355.438	1.850	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC2OCCCO2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082487067	907983182	/nfs/dbraw/zinc/98/31/82/907983182.db2.gz	LVBWVDIPAFCEIY-CXAGYDPISA-N	1	0	361.417	1.787	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]Cc1cc(C(F)(F)F)n(C)n1	ZINC001082504830	908117810	/nfs/dbraw/zinc/11/78/10/908117810.db2.gz	KKPAMWBYEQFSPP-BXUZGUMPSA-N	1	0	354.376	1.789	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082506580	908135715	/nfs/dbraw/zinc/13/57/15/908135715.db2.gz	RIMPOKHSLKOSME-FZKQIMNGSA-N	1	0	355.417	1.610	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC000997300373	908152283	/nfs/dbraw/zinc/15/22/83/908152283.db2.gz	JWSNXROLISTWGB-OIISXLGYSA-N	1	0	351.491	1.415	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@]34C[C@H]3COC4)C[C@H]2C)cc1C#N	ZINC001082523213	908238624	/nfs/dbraw/zinc/23/86/24/908238624.db2.gz	BZKWTVWWRIFRAU-UDUZWTERSA-N	1	0	355.438	1.540	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)CC1	ZINC000997349307	908282748	/nfs/dbraw/zinc/28/27/48/908282748.db2.gz	ZCQYPVIZWOZDMS-BHIYHBOVSA-N	1	0	358.486	1.528	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C(C)(C)C=C)CC1	ZINC000997356827	908313449	/nfs/dbraw/zinc/31/34/49/908313449.db2.gz	GAMVYRXLKLKAAH-SQNIBIBYSA-N	1	0	357.498	1.792	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2ccco2)CC1	ZINC000997357795	908327066	/nfs/dbraw/zinc/32/70/66/908327066.db2.gz	PMKQDKDJARCUPK-NEWSRXKRSA-N	1	0	369.465	1.415	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc(C4CC4)nn3C)C[C@H]2C)C1=O	ZINC001082540487	908387314	/nfs/dbraw/zinc/38/73/14/908387314.db2.gz	PRDDWWXJMMDHDG-FRFSOERESA-N	1	0	371.485	1.135	20	30		FDEDRO
C=CCOCCN1CCO[C@@](C)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001107952585	908396456	/nfs/dbraw/zinc/39/64/56/908396456.db2.gz	HTTYVJXSNDRPBN-SCTDSRPQSA-N	1	0	353.507	1.126	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCOc2ncccc2C(F)(F)F)CC1	ZINC000921574265	908451391	/nfs/dbraw/zinc/45/13/91/908451391.db2.gz	LHSHMWFRMCPFOU-UHFFFAOYSA-N	1	0	370.375	1.876	20	30		FDEDRO
CS(=O)(=O)N1CCC[C@@H]([NH2+]Cc2cc(C#N)ccc2Br)C1	ZINC000921613325	908577084	/nfs/dbraw/zinc/57/70/84/908577084.db2.gz	PKHLKNRDVUNQHW-CYBMUJFWSA-N	1	0	372.288	1.834	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[C@@H]3CCNC3=O)C[C@H]2C)cc1C#N	ZINC001082556095	908578023	/nfs/dbraw/zinc/57/80/23/908578023.db2.gz	BSOVAXBCUHWFKL-UKPHBRMFSA-N	1	0	370.453	1.030	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cn[nH]c(=O)c3)C[C@H]2C)cc1C#N	ZINC001082578863	908766031	/nfs/dbraw/zinc/76/60/31/908766031.db2.gz	RLJDQYOHPWKCRK-MLGOLLRUSA-N	1	0	367.409	1.313	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCN(C)C2=O)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082581762	908791375	/nfs/dbraw/zinc/79/13/75/908791375.db2.gz	ZTNARPYTMHSWLY-RVKKMQEKSA-N	1	0	354.454	1.363	20	30		FDEDRO
COCCn1nccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001082582323	908797367	/nfs/dbraw/zinc/79/73/67/908797367.db2.gz	PBWUDWAMHRUWHS-CRAIPNDOSA-N	1	0	367.453	1.651	20	30		FDEDRO
Cc1cc2nc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc(N(C)C)n2n1	ZINC000889035876	908802425	/nfs/dbraw/zinc/80/24/25/908802425.db2.gz	WAQREXFVCSSDFS-UHFFFAOYSA-N	1	0	372.477	1.803	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2CCN(C(=O)C(C)C)C[C@H]2CC)CC1	ZINC000921618971	908835983	/nfs/dbraw/zinc/83/59/83/908835983.db2.gz	BZZMXOBYCCUTTR-AEFFLSMTSA-N	1	0	362.518	1.666	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2ccc3nc[nH]c3n2)C[C@H]1C	ZINC001082583481	908884655	/nfs/dbraw/zinc/88/46/55/908884655.db2.gz	WXVZZCSFCPNCGF-NOZJJQNGSA-N	1	0	364.247	1.917	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(Br)n[nH]2)[C@H](OC)C1	ZINC001212350877	908898071	/nfs/dbraw/zinc/89/80/71/908898071.db2.gz	JJNIQRNHRNRART-CYZMBNFOSA-N	1	0	371.279	1.956	20	30		FDEDRO
Cc1nc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)s3)C2)c(=O)[nH]c1C	ZINC001082585365	908898912	/nfs/dbraw/zinc/89/89/12/908898912.db2.gz	CIDVSHWSWPCFEC-MEBBXXQBSA-N	1	0	371.466	1.570	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCc3nccn3C2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082602973	908911617	/nfs/dbraw/zinc/91/16/17/908911617.db2.gz	CPOCUTGIZAUMPX-AYOQOUSVSA-N	1	0	363.465	1.954	20	30		FDEDRO
N#Cc1cc(C[NH2+]CCC(=O)N2CCN(c3ccccn3)CC2)cs1	ZINC000921632991	909022844	/nfs/dbraw/zinc/02/28/44/909022844.db2.gz	OOXIPYIZLWGQIJ-UHFFFAOYSA-N	1	0	355.467	1.843	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cnc4ccccn43)C[C@H]2C)C1=O	ZINC001082606430	909026500	/nfs/dbraw/zinc/02/65/00/909026500.db2.gz	BPJVMNZMOBYQFK-BZUAXINKSA-N	1	0	367.453	1.171	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1C[N@H+](CCCCCOC)C[C@H]1OC)OCC	ZINC001212354766	909070607	/nfs/dbraw/zinc/07/06/07/909070607.db2.gz	JCQZGMRKJWHZQK-FGTMMUONSA-N	1	0	356.507	1.990	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cncc4[nH]ccc43)C[C@H]2C)C1=O	ZINC001082618854	909090604	/nfs/dbraw/zinc/09/06/04/909090604.db2.gz	MKPAFFWLMIIUHX-MZMPZRCHSA-N	1	0	367.453	1.400	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)CN(C)C(=O)C(C)C)[C@H](OC)C1	ZINC001212357694	909101601	/nfs/dbraw/zinc/10/16/01/909101601.db2.gz	RIOQSLVOKVHZBT-IAGOWNOFSA-N	1	0	355.523	1.887	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082632204	909184251	/nfs/dbraw/zinc/18/42/51/909184251.db2.gz	NNCSNPGCJIGWGP-IUODEOHRSA-N	1	0	352.394	1.500	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCCC(=O)N2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082632529	909187224	/nfs/dbraw/zinc/18/72/24/909187224.db2.gz	ZXUDGASLGIBCBC-XJKCOSOUSA-N	1	0	360.483	1.615	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082632666	909188928	/nfs/dbraw/zinc/18/89/28/909188928.db2.gz	KHXCRCQBEIJRSY-IAQYHMDHSA-N	1	0	370.384	1.640	20	30		FDEDRO
Cc1cncn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1	ZINC001082646280	909311927	/nfs/dbraw/zinc/31/19/27/909311927.db2.gz	JRLPJOIJWHRQMU-FZKQIMNGSA-N	1	0	355.417	1.839	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082659668	909375686	/nfs/dbraw/zinc/37/56/86/909375686.db2.gz	WLMNCMCWXOBUGD-ZTQAJYAQSA-N	1	0	370.453	1.052	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)CC2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082664742	909446143	/nfs/dbraw/zinc/44/61/43/909446143.db2.gz	HSPPZWFVJDLTKZ-FHLIZLRMSA-N	1	0	354.454	1.411	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2C)C[C@H]1C	ZINC001082680154	909508356	/nfs/dbraw/zinc/50/83/56/909508356.db2.gz	SANQGIWAHWMMMA-RAIGVLPGSA-N	1	0	358.280	1.342	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccn3nnnc3c2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082681407	909596412	/nfs/dbraw/zinc/59/64/12/909596412.db2.gz	PLBOSAKKXWQASI-CXAGYDPISA-N	1	0	361.409	1.246	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082697637	909655176	/nfs/dbraw/zinc/65/51/76/909655176.db2.gz	ONYGYEWDZWYMAS-ZTQAJYAQSA-N	1	0	354.454	1.411	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1F	ZINC000997772616	909665100	/nfs/dbraw/zinc/66/51/00/909665100.db2.gz	PGGNYBZHWUQSIX-NVXWUHKLSA-N	1	0	360.389	1.691	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)C3(c4cccnc4)CC3)C[C@H]2C)C1=O	ZINC001082698846	909665445	/nfs/dbraw/zinc/66/54/45/909665445.db2.gz	KGVMYRHEESYKEL-BPQIPLTHSA-N	1	0	368.481	1.337	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCc3nn[nH]c32)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082710367	909762762	/nfs/dbraw/zinc/76/27/62/909762762.db2.gz	QLZQTALZAZOCOX-RPVQJOFSSA-N	1	0	364.453	1.733	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCCC[C@@H]3C)C2)c1	ZINC001082729818	909861507	/nfs/dbraw/zinc/86/15/07/909861507.db2.gz	GLGVOPIZAONWNW-JTDSTZFVSA-N	1	0	368.481	1.514	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C(N)=O)co2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082734825	909903495	/nfs/dbraw/zinc/90/34/95/909903495.db2.gz	ZYWSZMCXCWACSD-MLGOLLRUSA-N	1	0	352.394	1.500	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ocnc3C3CC3)C[C@H]2C)C1=O	ZINC001082740345	909931359	/nfs/dbraw/zinc/93/13/59/909931359.db2.gz	GEMRAJNQMCJJIM-VHDGCEQUSA-N	1	0	358.442	1.389	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc3n(n2)CCCC3)C1	ZINC001082752153	909999637	/nfs/dbraw/zinc/99/96/37/909999637.db2.gz	SZICFNGRFLELGD-AXUOBQJMSA-N	1	0	358.486	1.747	20	30		FDEDRO
Cc1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)ccc2c[nH+]cn21	ZINC000997981573	910102707	/nfs/dbraw/zinc/10/27/07/910102707.db2.gz	HPINDWMRQIFFPM-MNEFBYGVSA-N	1	0	362.433	1.918	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cn[nH]c2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082794853	910205689	/nfs/dbraw/zinc/20/56/89/910205689.db2.gz	NUFYQRZSXWRXGC-FZKQIMNGSA-N	1	0	355.417	1.990	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2cnn(CC)c2)C1	ZINC001082798869	910215494	/nfs/dbraw/zinc/21/54/94/910215494.db2.gz	PLAUHEKPBQLWHK-LULLPPNCSA-N	1	0	360.502	1.863	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1	ZINC000998059206	910254050	/nfs/dbraw/zinc/25/40/50/910254050.db2.gz	OQTSSDIGSVBRHE-NJAFHUGGSA-N	1	0	363.502	1.417	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(C#N)c[nH]1	ZINC000998066096	910264612	/nfs/dbraw/zinc/26/46/12/910264612.db2.gz	YWOIHBSXVXGEEI-YQFWSFKMSA-N	1	0	355.442	1.232	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C)(C)N2CCOCC2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082807887	910265180	/nfs/dbraw/zinc/26/51/80/910265180.db2.gz	JBYMLQYEDXLGDL-VQIMIIECSA-N	1	0	370.497	1.606	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C3)nc1	ZINC000998070711	910286027	/nfs/dbraw/zinc/28/60/27/910286027.db2.gz	HWDCVZLQPHYPOC-BVBHFADKSA-N	1	0	366.465	1.409	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc3ncccn3n2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082817671	910294670	/nfs/dbraw/zinc/29/46/70/910294670.db2.gz	NOJXOUSEWBJOER-MLGOLLRUSA-N	1	0	366.450	1.913	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@H]2CCNC(=O)CC2)CC1	ZINC000998094333	910332866	/nfs/dbraw/zinc/33/28/66/910332866.db2.gz	JLDQSWVPXTXEQJ-NXHRZFHOSA-N	1	0	363.502	1.322	20	30		FDEDRO
COc1ncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)cn1	ZINC001082838313	910373001	/nfs/dbraw/zinc/37/30/01/910373001.db2.gz	KRSWPEUQLQXDJD-SJKOYZFVSA-N	1	0	369.400	1.746	20	30		FDEDRO
COc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(C#N)ccc3F)C2)nn1	ZINC001082841258	910449576	/nfs/dbraw/zinc/44/95/76/910449576.db2.gz	AVLDREAIJDSDGB-SJKOYZFVSA-N	1	0	369.400	1.746	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3c(C)nnn3CC)C2)nc1	ZINC001082869173	910513036	/nfs/dbraw/zinc/51/30/36/910513036.db2.gz	VVSRFLINMAKYIJ-CXAGYDPISA-N	1	0	352.442	1.233	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCCC[C@@H]3C)C2)nc1	ZINC001082869237	910513351	/nfs/dbraw/zinc/51/33/51/910513351.db2.gz	YSJUKHDKGCXFMC-JTDSTZFVSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@@H](O)c3ccccc3F)C2)nc1	ZINC001082870240	910517489	/nfs/dbraw/zinc/51/74/89/910517489.db2.gz	JHRGGEWJUSSWBK-JSNMRZPZSA-N	1	0	367.424	1.986	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCC[C@@H](C)C3)C2)cn1	ZINC001082870154	910517862	/nfs/dbraw/zinc/51/78/62/910517862.db2.gz	CTEGRIJJBMQFGJ-GPMSIDNRSA-N	1	0	368.481	1.372	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(=O)c(OC)co3)C2)cn1	ZINC001082870725	910519084	/nfs/dbraw/zinc/51/90/84/910519084.db2.gz	IQPZIPOBHSHOBV-CXAGYDPISA-N	1	0	367.405	1.275	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H]3CCN(C4CCC4)C3=O)C2)cn1	ZINC001082870850	910521315	/nfs/dbraw/zinc/52/13/15/910521315.db2.gz	OTTAJQWWPGNCNF-MDASCCDHSA-N	1	0	366.465	1.266	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCCOC(C)C)C[C@H]2OC)CCOCC1	ZINC001212395410	910734024	/nfs/dbraw/zinc/73/40/24/910734024.db2.gz	FVEVNUOUCYDBIQ-QZTJIDSGSA-N	1	0	366.502	1.437	20	30		FDEDRO
Cc1nccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1	ZINC001082922423	910929138	/nfs/dbraw/zinc/92/91/38/910929138.db2.gz	CHTZMKVLYVFLGK-FZKQIMNGSA-N	1	0	355.417	1.839	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(Cc2oc(CC)nc2C)C[C@H]1O	ZINC001077821744	911144210	/nfs/dbraw/zinc/14/42/10/911144210.db2.gz	DWYYVGZPUVJEPI-BORJPKMPSA-N	1	0	363.458	1.188	20	30		FDEDRO
Cn1cc([C@@H]2C[C@H]2C(=O)N2C[C@@H]3C[C@H]2CN3Cc2cccc(C#N)c2)cn1	ZINC001032639664	911538242	/nfs/dbraw/zinc/53/82/42/911538242.db2.gz	KHOBSWZFBPMFBE-LWYYNNOASA-N	1	0	361.449	1.881	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)C4CC(C)(C)C4)[C@H]3C2)C1=O	ZINC001083070159	911666883	/nfs/dbraw/zinc/66/68/83/911666883.db2.gz	KVKFIJKDNGMZTG-IXDOHACOSA-N	1	0	361.486	1.121	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CCO[C@@H]3C[N@H+](CCC[C@@H]4CCOC4)C[C@@H]32)c1	ZINC001083040280	911761016	/nfs/dbraw/zinc/76/10/16/911761016.db2.gz	FKIKMOPUZOSJDV-FHLIZLRMSA-N	1	0	358.442	1.228	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC[NH+](C)CC2)nc1	ZINC000998947538	911893549	/nfs/dbraw/zinc/89/35/49/911893549.db2.gz	BAUQDRLNWAZWCV-NEWSRXKRSA-N	1	0	366.465	1.266	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(CC)n[nH]2)C1=O	ZINC001085137678	921710649	/nfs/dbraw/zinc/71/06/49/921710649.db2.gz	AVHAZWAYTMLNGP-BZUAXINKSA-N	1	0	359.474	1.390	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@H]4CCCC(=O)N4)[C@@H]3C2)cc1	ZINC001084504312	915056018	/nfs/dbraw/zinc/05/60/18/915056018.db2.gz	JIGCQBBLANTHPE-GUDVDZBRSA-N	1	0	366.465	1.650	20	30		FDEDRO
C=CC(C)(C)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1	ZINC001065206918	915107310	/nfs/dbraw/zinc/10/73/10/915107310.db2.gz	NQADZYYMNYUQEH-OWCLPIDISA-N	1	0	351.491	1.273	20	30		FDEDRO
C[C@@]1(C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)CCC(=O)NC1	ZINC001084596726	915579393	/nfs/dbraw/zinc/57/93/93/915579393.db2.gz	PVJDZKJSYVUCAW-DBXWQHBBSA-N	1	0	366.465	1.507	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CN(C(C)=O)c3ccccc3O2)CC1	ZINC000729975980	915900162	/nfs/dbraw/zinc/90/01/62/915900162.db2.gz	RUCYQOSKQALYPH-LJQANCHMSA-N	1	0	357.454	1.957	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C[C@@](O)(c2nccn2C)C(F)(F)F)CC1	ZINC000729978488	915900688	/nfs/dbraw/zinc/90/06/88/915900688.db2.gz	PKTCKAMLZXBARR-OAHLLOKOSA-N	1	0	360.380	1.327	20	30		FDEDRO
Cn1ncc(CCC(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)n1	ZINC001084666387	915972726	/nfs/dbraw/zinc/97/27/26/915972726.db2.gz	YZJHFRJUIBZQJP-IEBWSBKVSA-N	1	0	364.453	1.352	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(NC(=O)OC)cc2)CC1	ZINC000730070332	916075258	/nfs/dbraw/zinc/07/52/58/916075258.db2.gz	UUDKACLWHSEDNS-UHFFFAOYSA-N	1	0	374.441	1.960	20	30		FDEDRO
CON=Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1	ZINC000730218785	916324045	/nfs/dbraw/zinc/32/40/45/916324045.db2.gz	PSNAAKPHABZGLA-QGZVFWFLSA-N	1	0	358.442	1.221	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3CC[N@H+](CCc4ccns4)C[C@H]32)nn1	ZINC001084708839	916394219	/nfs/dbraw/zinc/39/42/19/916394219.db2.gz	WBXQZERDHTYOLX-CZUORRHYSA-N	1	0	358.471	1.310	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3CC[N@@H+](C[C@@H](OC)C4CCC4)C[C@H]32)nn1	ZINC001084708808	916394593	/nfs/dbraw/zinc/39/45/93/916394593.db2.gz	VIDBQPDQEFXWML-KBAYOESNSA-N	1	0	359.474	1.426	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCc3cnn(C)c3)C[C@H]21	ZINC001084712852	916445485	/nfs/dbraw/zinc/44/54/85/916445485.db2.gz	YNZDHOCZFJRIRY-WCIQWLHISA-N	1	0	372.513	1.867	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCOC3)C[C@H]21	ZINC001084764878	916941888	/nfs/dbraw/zinc/94/18/88/916941888.db2.gz	AVZQGFNZDVJNQN-BRWVUGGUSA-N	1	0	357.454	1.829	20	30		FDEDRO
CC(=O)N1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001084785562	917100805	/nfs/dbraw/zinc/10/08/05/917100805.db2.gz	QBVNZNPEMBWUSU-HSALFYBXSA-N	1	0	366.465	1.602	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccn(C)c(=O)c4)C[C@H]32)nc1	ZINC001084783242	917119141	/nfs/dbraw/zinc/11/91/41/917119141.db2.gz	HRPAUWGQTUDCMJ-IEBWSBKVSA-N	1	0	362.433	1.108	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@H]2CC[N@@H+](C[C@@H](CC)OC)C[C@H]21	ZINC001084783245	917119174	/nfs/dbraw/zinc/11/91/74/917119174.db2.gz	HUCXWHLMTQDBQB-JFIYKMOQSA-N	1	0	357.454	1.665	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCO1	ZINC001065210122	917210582	/nfs/dbraw/zinc/21/05/82/917210582.db2.gz	APNBBOIUABMDFU-YESZJQIVSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cc(C)n(C)n4)C[C@@H]32)C1=O	ZINC001084898975	918101487	/nfs/dbraw/zinc/10/14/87/918101487.db2.gz	MASVMSHJGFOHNZ-JQHSSLGASA-N	1	0	371.485	1.052	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCCCCCC3)[C@H]2C1	ZINC001084907121	918175753	/nfs/dbraw/zinc/17/57/53/918175753.db2.gz	VBORODLFUCSONH-KURKYZTESA-N	1	0	360.502	1.862	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4nccc(C)n4)C[C@@H]32)C1=O	ZINC001084930251	918451956	/nfs/dbraw/zinc/45/19/56/918451956.db2.gz	ZQCHAIYZNZBPKD-ULQDDVLXSA-N	1	0	369.469	1.108	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(-c4ccn(C)n4)on3)C[C@@H]21	ZINC001084948798	918671813	/nfs/dbraw/zinc/67/18/13/918671813.db2.gz	CZQMZUFZOFDKER-PBHICJAKSA-N	1	0	353.426	1.635	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC4(C3)CS(=O)(=O)C4)C[C@@H]21	ZINC001084971039	918999484	/nfs/dbraw/zinc/99/94/84/918999484.db2.gz	JKOLHLXOAFEPLR-WBVHZDCISA-N	1	0	366.527	1.700	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cnc4ccc(OC)nn43)C[C@@H]21	ZINC001084975163	919049212	/nfs/dbraw/zinc/04/92/12/919049212.db2.gz	OMSLSDOUTCUXHC-ZBFHGGJFSA-N	1	0	353.426	1.298	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(=O)n(CCOC)c3)C[C@@H]21	ZINC001084979979	919132484	/nfs/dbraw/zinc/13/24/84/919132484.db2.gz	LHVWLJIURALZJN-AEFFLSMTSA-N	1	0	359.470	1.607	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cnc4c(c3)c(C)nn4C)C[C@@H]21	ZINC001085002070	919479367	/nfs/dbraw/zinc/47/93/67/919479367.db2.gz	BNQOXCRAGKBLQY-QAPCUYQASA-N	1	0	351.454	1.836	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C3CCN(C(=O)C(C)C)CC3)C[C@@H]21	ZINC001085002676	919495919	/nfs/dbraw/zinc/49/59/19/919495919.db2.gz	BBYOAFSKUTXVOO-MJGOQNOKSA-N	1	0	359.514	1.827	20	30		FDEDRO
N#C[C@H]1CN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CCN1C1CC1	ZINC000732674738	919961726	/nfs/dbraw/zinc/96/17/26/919961726.db2.gz	RISFQAIIJGZVAX-IBGZPJMESA-N	1	0	368.485	1.428	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cc(C)ncn3)[C@H]2C1	ZINC001085038035	919967407	/nfs/dbraw/zinc/96/74/07/919967407.db2.gz	RUGGQKWTVUSGRW-YSHGAJCASA-N	1	0	356.470	1.799	20	30		FDEDRO
N#C[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCN1C1CC1	ZINC000732701062	919992047	/nfs/dbraw/zinc/99/20/47/919992047.db2.gz	OWHQWBWUNJJNEL-MJGOQNOKSA-N	1	0	353.470	1.643	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cccnc4C)[C@H]3C2)nn1	ZINC001085051801	920098785	/nfs/dbraw/zinc/09/87/85/920098785.db2.gz	JRNBQIBRJPJEJZ-APWZRJJASA-N	1	0	366.469	1.904	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)c4ccccc43)C[C@@H]21	ZINC001085060353	920249789	/nfs/dbraw/zinc/24/97/89/920249789.db2.gz	VOOQJDVEKFMJRP-LZQZEXGQSA-N	1	0	351.450	1.807	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)cc1	ZINC000732871062	920275931	/nfs/dbraw/zinc/27/59/31/920275931.db2.gz	BQIZUJMPEPVUEW-RBUKOAKNSA-N	1	0	371.481	1.969	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)CCn4cnnn4)C[C@@H]32)s1	ZINC001085062067	920299108	/nfs/dbraw/zinc/29/91/08/920299108.db2.gz	MLMDKBPFWLKLME-CJNGLKHVSA-N	1	0	371.470	1.119	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C[C@@H]21	ZINC001085061996	920300361	/nfs/dbraw/zinc/30/03/61/920300361.db2.gz	GKVJQERXNZMXAL-ZBFHGGJFSA-N	1	0	360.458	1.628	20	30		FDEDRO
C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CC[NH+](C3CCC3)CC2)C1=O	ZINC000733295657	920963222	/nfs/dbraw/zinc/96/32/22/920963222.db2.gz	CJZBNZOHANELEB-HXUWFJFHSA-N	1	0	367.453	1.453	20	30		FDEDRO
COc1cc2c(c(C[NH2+]CCNC(=O)C3N=CC=CC3=O)c1)O[C@H](C)C2	ZINC000733333702	920988195	/nfs/dbraw/zinc/98/81/95/920988195.db2.gz	SDJXGNGWUSYOJJ-JFLJVCDGSA-N	1	0	357.410	1.635	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2nccnc2N)ccc1F	ZINC001085154667	921846455	/nfs/dbraw/zinc/84/64/55/921846455.db2.gz	FUSFBDALNKEVKX-HZPDHXFCSA-N	1	0	368.416	1.900	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cncc(C)c2)C1=O	ZINC001085159086	921878018	/nfs/dbraw/zinc/87/80/18/921878018.db2.gz	HLAMPSBUQRTFLB-KURKYZTESA-N	1	0	356.470	1.808	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1COC(=O)C1	ZINC001085170690	921976602	/nfs/dbraw/zinc/97/66/02/921976602.db2.gz	OPPSKYRURYCFBT-JHJVBQTASA-N	1	0	359.264	1.865	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2csnc2C)C1=O	ZINC001085176236	922005322	/nfs/dbraw/zinc/00/53/22/922005322.db2.gz	VWMRSBCBZWZLNN-OAGGEKHMSA-N	1	0	362.499	1.869	20	30		FDEDRO
C#CC1(O)CCN(C(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)CC1	ZINC000823704681	922021413	/nfs/dbraw/zinc/02/14/13/922021413.db2.gz	WZMMGVSYWNTGPC-UHFFFAOYSA-N	1	0	366.465	1.712	20	30		FDEDRO
Cn1cnc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2F)n1	ZINC001085190812	922120492	/nfs/dbraw/zinc/12/04/92/922120492.db2.gz	UOTRPLFHXHRPJN-HZPDHXFCSA-N	1	0	356.405	1.657	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@](C)(CNc3nccnc3C#N)C2)CC[N@@H+]1C	ZINC001065504650	922336960	/nfs/dbraw/zinc/33/69/60/922336960.db2.gz	WZDXAXQUAXTAEG-ZSZQSSIHSA-N	1	0	356.474	1.729	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)CC[NH+](C)C)CC1	ZINC001066213009	922640447	/nfs/dbraw/zinc/64/04/47/922640447.db2.gz	DTESZXIEZXXXGD-LNLFQRSKSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2n[nH]c3c2CCC3)C1=O	ZINC001085256002	923225439	/nfs/dbraw/zinc/22/54/39/923225439.db2.gz	HLTPURMZSPSWEL-BRWVUGGUSA-N	1	0	371.485	1.316	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C(N)=O)co1	ZINC001085327667	923903242	/nfs/dbraw/zinc/90/32/42/923903242.db2.gz	XMNRRHVBICOHIY-VXGBXAGGSA-N	1	0	370.247	1.918	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnnn2CC)c1	ZINC001085325713	923915558	/nfs/dbraw/zinc/91/55/58/923915558.db2.gz	BHVUUTXMAPZXJJ-QZTJIDSGSA-N	1	0	352.442	1.505	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCCNC2=O)cc1	ZINC001085356452	924144881	/nfs/dbraw/zinc/14/48/81/924144881.db2.gz	XWTAZNMFHLVUTG-GUDVDZBRSA-N	1	0	369.465	1.608	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2snnc2C)nn1	ZINC001085357097	924185684	/nfs/dbraw/zinc/18/56/84/924185684.db2.gz	DKKYTDITUYEBCX-CHWSQXEVSA-N	1	0	361.475	1.455	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCC(=O)N1	ZINC001085361382	924230980	/nfs/dbraw/zinc/23/09/80/924230980.db2.gz	YXXSMWGGCRPJCQ-YNEHKIRRSA-N	1	0	358.280	1.581	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(OC)o2)C1=O	ZINC001085373272	924321604	/nfs/dbraw/zinc/32/16/04/924321604.db2.gz	GKPDXRPJABYKIV-RBSFLKMASA-N	1	0	361.442	1.706	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2nc[nH]n2)ccc1F	ZINC001085387178	924378198	/nfs/dbraw/zinc/37/81/98/924378198.db2.gz	CDNOJBAXTJQZPZ-HZPDHXFCSA-N	1	0	356.405	1.575	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)C1	ZINC001085387788	924381866	/nfs/dbraw/zinc/38/18/66/924381866.db2.gz	HJQYMCMDJTZZGB-ATZDWAIDSA-N	1	0	368.481	1.944	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCCC2=O)cn1	ZINC001085397797	924445074	/nfs/dbraw/zinc/44/50/74/924445074.db2.gz	YEDIZTWHCMSGAE-QZTJIDSGSA-N	1	0	354.454	1.316	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H](C)c2nnc(C)[nH]2)nc1	ZINC001085398637	924448673	/nfs/dbraw/zinc/44/86/73/924448673.db2.gz	QONATDWBBHGKMA-APHBMKBZSA-N	1	0	352.442	1.881	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCC(=O)N2)cc1C#N	ZINC001085399120	924450947	/nfs/dbraw/zinc/45/09/47/924450947.db2.gz	RRTCGPJJGDTBCV-ZACQAIPSSA-N	1	0	370.453	1.362	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2c(C)nnn2CC)cn1	ZINC001085399213	924452096	/nfs/dbraw/zinc/45/20/96/924452096.db2.gz	WZKVSWMSURQJOA-QZTJIDSGSA-N	1	0	366.469	1.814	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCN(C)C1=O	ZINC001085406542	924481784	/nfs/dbraw/zinc/48/17/84/924481784.db2.gz	KMZMOGTZSIUTII-AQNXPRMDSA-N	1	0	367.493	1.848	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]3CN(c4ncc(C#N)cc4F)C[C@H]32)CC[N@@H+]1C	ZINC001066253316	924525838	/nfs/dbraw/zinc/52/58/38/924525838.db2.gz	SWKFDYDQDKNPLF-NOVWEMISSA-N	1	0	371.460	1.860	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC1	ZINC001066275509	924905923	/nfs/dbraw/zinc/90/59/23/924905923.db2.gz	KKFOINHUWQRVHR-ZACQAIPSSA-N	1	0	365.518	1.805	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)CC1	ZINC000740736651	925420814	/nfs/dbraw/zinc/42/08/14/925420814.db2.gz	FZHRDAQPSDSNMT-UHFFFAOYSA-N	1	0	363.483	1.584	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)CC1	ZINC000740737181	925420872	/nfs/dbraw/zinc/42/08/72/925420872.db2.gz	COBMWZWZSHSYPN-UHFFFAOYSA-N	1	0	355.417	1.932	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)C[C@H](NC(N)=O)c2cccc(C)c2)CC1	ZINC000740737871	925422074	/nfs/dbraw/zinc/42/20/74/925422074.db2.gz	MALFWKUQCUSIRJ-SFHVURJKSA-N	1	0	356.470	1.698	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1	ZINC001086089917	925938095	/nfs/dbraw/zinc/93/80/95/925938095.db2.gz	XNJSXLQQAIXWBN-NNXHMXCWSA-N	1	0	359.474	1.231	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(C(N)=O)c2)C1	ZINC001086089350	925945360	/nfs/dbraw/zinc/94/53/60/925945360.db2.gz	WEAGTKPDDRTSIZ-LULLPPNCSA-N	1	0	371.481	1.751	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC001086153263	926154200	/nfs/dbraw/zinc/15/42/00/926154200.db2.gz	AFTMNYUHZFGJSI-OMHQDGTGSA-N	1	0	351.450	1.966	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC001086200239	926270508	/nfs/dbraw/zinc/27/05/08/926270508.db2.gz	ONTOEIJVFGWKMJ-BSXFFOKHSA-N	1	0	354.454	1.444	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C(C)(C)C)C2=O)C1	ZINC001086202124	926286526	/nfs/dbraw/zinc/28/65/26/926286526.db2.gz	IYSHYIYYDIMJNS-JJTUDDRGSA-N	1	0	363.502	1.461	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CCc2nc3ccccc3oc2=O)CC1	ZINC000743492901	926379071	/nfs/dbraw/zinc/37/90/71/926379071.db2.gz	BKKIPIWIDCYIAJ-UHFFFAOYSA-N	1	0	353.422	1.725	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CN(C(C)=O)c3ccccc3O2)CC1	ZINC000743493358	926379160	/nfs/dbraw/zinc/37/91/60/926379160.db2.gz	PLYUPRAXNCTPGY-IBGZPJMESA-N	1	0	355.438	1.404	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)COCCNC(=O)OC(C)(C)C)CC1	ZINC000743492100	926379167	/nfs/dbraw/zinc/37/91/67/926379167.db2.gz	PLGZIVFPOGSQJD-UHFFFAOYSA-N	1	0	353.463	1.132	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC(C[NH+](C)C)CC1	ZINC000743891058	926495764	/nfs/dbraw/zinc/49/57/64/926495764.db2.gz	ARSZSHROUUOLIK-UHFFFAOYSA-N	1	0	361.417	1.576	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3c3ccncc3)C2)C1=O	ZINC001086370526	926850600	/nfs/dbraw/zinc/85/06/00/926850600.db2.gz	LMNWNUBBILIDRS-GPFWEFOESA-N	1	0	368.481	1.456	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1	ZINC001086390650	926981927	/nfs/dbraw/zinc/98/19/27/926981927.db2.gz	FSURGAZFJAYJGZ-GKEYINFOSA-N	1	0	361.417	1.486	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)C1=O	ZINC001086435327	927243039	/nfs/dbraw/zinc/24/30/39/927243039.db2.gz	KPZANQNFHRGMAG-XABWRGDLSA-N	1	0	361.486	1.073	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)CC1	ZINC001066547808	927510215	/nfs/dbraw/zinc/51/02/15/927510215.db2.gz	MXHYXJKETQLUGM-ZACQAIPSSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2nc(C3CC3)nn2C)C1	ZINC001086483363	927539502	/nfs/dbraw/zinc/53/95/02/927539502.db2.gz	YJBLRRNKTMHZHS-MIGQKNRLSA-N	1	0	359.474	1.268	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)c2nncn2C)C1	ZINC001086500538	927663036	/nfs/dbraw/zinc/66/30/36/927663036.db2.gz	HCCRYHOZTMAARJ-MTSZKFMLSA-N	1	0	361.490	1.732	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCN(CC)C2=O)C1	ZINC001086500606	927663478	/nfs/dbraw/zinc/66/34/78/927663478.db2.gz	JWFJCFJTFOHTBC-TXTZMMAHSA-N	1	0	363.502	1.463	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000746267625	927728236	/nfs/dbraw/zinc/72/82/36/927728236.db2.gz	QRRGKJHTXNUHKI-QFIPXVFZSA-N	1	0	364.445	1.952	20	30		FDEDRO
CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)c1ccccc1	ZINC000746343882	927888366	/nfs/dbraw/zinc/88/83/66/927888366.db2.gz	JFHOOOCQDHSJCR-KRWDZBQOSA-N	1	0	368.441	1.544	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(CC#N)c2)C[N@@H+]1Cc1ccccc1	ZINC000746436590	928004879	/nfs/dbraw/zinc/00/48/79/928004879.db2.gz	WMZVUUFCZWTCKL-GOEBONIOSA-N	1	0	366.425	1.124	20	30		FDEDRO
N#Cc1nc(-n2nnc(-c3cccc(C[NH3+])c3)n2)ccc1Br	ZINC001168887787	928167544	/nfs/dbraw/zinc/16/75/44/928167544.db2.gz	MTDOHVGKRCLTMY-UHFFFAOYSA-N	1	0	356.187	1.817	20	30		FDEDRO
C#C[C@@H](C)N(C)CN1C(=O)N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O	ZINC000766664946	928463300	/nfs/dbraw/zinc/46/33/00/928463300.db2.gz	RNLNPPSMHPACEB-OXQOHEQNSA-N	1	0	354.454	1.484	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2CN(Cc3nc4ccccc4c(=O)n3CC#N)CC[C@@H]21	ZINC000766989720	929014712	/nfs/dbraw/zinc/01/47/12/929014712.db2.gz	KFEPDJKFSLSDKI-YJBOKZPZSA-N	1	0	351.454	1.836	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](O)COCCOC)cc1	ZINC001109587350	929867418	/nfs/dbraw/zinc/86/74/18/929867418.db2.gz	CXUINMBZSAVCFC-ZRNYENFQSA-N	1	0	372.465	1.027	20	30		FDEDRO
CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNC(=O)C(F)(F)F	ZINC001109627546	929962298	/nfs/dbraw/zinc/96/22/98/929962298.db2.gz	WZSAGBGZPTXEGZ-ILXRZTDVSA-N	1	0	373.419	1.970	20	30		FDEDRO
C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](O)COCCOC)CC1	ZINC001109674631	930118412	/nfs/dbraw/zinc/11/84/12/930118412.db2.gz	WRLVCWWVUXPPOV-XWSJACJDSA-N	1	0	366.502	1.478	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2	ZINC001109729030	930261240	/nfs/dbraw/zinc/26/12/40/930261240.db2.gz	PXBVGQJDYLBTCV-YVSFHVDLSA-N	1	0	364.534	1.377	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1	ZINC000770790681	930261755	/nfs/dbraw/zinc/26/17/55/930261755.db2.gz	GIFGJODRWSDXIC-CVEARBPZSA-N	1	0	358.504	1.325	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cccc(CN2C(=O)CNC2=O)c1	ZINC000770807204	930267684	/nfs/dbraw/zinc/26/76/84/930267684.db2.gz	YATGMUYTWBKUEE-HNNXBMFYSA-N	1	0	371.437	1.629	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000770807305	930267940	/nfs/dbraw/zinc/26/79/40/930267940.db2.gz	LWDGXWHGJHXNDZ-HNNXBMFYSA-N	1	0	366.483	1.827	20	30		FDEDRO
C#CC[NH+]1CCC(c2nc(-c3ccc(S(=O)(=O)NC)cc3)no2)CC1	ZINC000770864190	930290493	/nfs/dbraw/zinc/29/04/93/930290493.db2.gz	CTFXBFUTBJSGEN-UHFFFAOYSA-N	1	0	360.439	1.457	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CS(=O)(=O)N(CC)CC)C2	ZINC001109782252	930405300	/nfs/dbraw/zinc/40/53/00/930405300.db2.gz	JVMVTNDVPMXRML-PMPSAXMXSA-N	1	0	357.520	1.346	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(n3cnnn3)CCOCC1)C2	ZINC001109822903	930544170	/nfs/dbraw/zinc/54/41/70/930544170.db2.gz	JNUCMDCFYTYOGE-NCOADZHNSA-N	1	0	374.489	1.255	20	30		FDEDRO
COc1ccc(CNC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cc1C#N	ZINC000771344621	930608086	/nfs/dbraw/zinc/60/80/86/930608086.db2.gz	QHIJAWGBRNLBGX-UHFFFAOYSA-N	1	0	373.501	1.782	20	30		FDEDRO
CN(CC[N@H+](C)C1CC1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N	ZINC000771351008	930609990	/nfs/dbraw/zinc/60/99/90/930609990.db2.gz	FCJCWPLUPRGKNR-DZGCQCFKSA-N	1	0	365.478	1.481	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2	ZINC001109878384	930679125	/nfs/dbraw/zinc/67/91/25/930679125.db2.gz	VPNFCTNOITUKNT-BDXSIMOUSA-N	1	0	362.518	1.131	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C3CCOCC3)nn1)C2	ZINC001109935949	930811675	/nfs/dbraw/zinc/81/16/75/930811675.db2.gz	CTCMAVOVPNMWOX-RYRKJORJSA-N	1	0	359.474	1.931	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1nc3n(c1=O)CCCC3)C2	ZINC001109936080	930813518	/nfs/dbraw/zinc/81/35/18/930813518.db2.gz	JTVBDIIPIGSSRT-PMPSAXMXSA-N	1	0	359.474	1.069	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1nc3n(c1=O)CCCC3)C2	ZINC001109936076	930814224	/nfs/dbraw/zinc/81/42/24/930814224.db2.gz	JPKCDXACGLPQHT-NCOADZHNSA-N	1	0	373.501	1.457	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1	ZINC000772110629	931079707	/nfs/dbraw/zinc/07/97/07/931079707.db2.gz	VCGSNXLBGBOIJM-UHFFFAOYSA-N	1	0	371.393	1.372	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)N(CCC#N)c2ccccc2)CC1	ZINC000772113264	931080745	/nfs/dbraw/zinc/08/07/45/931080745.db2.gz	KIRVQHPTXUFLCZ-UHFFFAOYSA-N	1	0	353.422	1.822	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)N(Cc2ccc(C)o2)C2CC2)CC1	ZINC000772115707	931082043	/nfs/dbraw/zinc/08/20/43/931082043.db2.gz	ZYJPGVMFPORZPL-UHFFFAOYSA-N	1	0	358.438	1.967	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1	ZINC000772115454	931082707	/nfs/dbraw/zinc/08/27/07/931082707.db2.gz	HHZROMZDDGKWRU-CQSZACIVSA-N	1	0	360.376	1.676	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCc2cc(C(=O)OC)cc(C(=O)OC)c2)CC1	ZINC000772119873	931085806	/nfs/dbraw/zinc/08/58/06/931085806.db2.gz	GMVXXNGWUAFIKU-UHFFFAOYSA-N	1	0	373.405	1.648	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC1(C)CC1)C2	ZINC001112556958	931543725	/nfs/dbraw/zinc/54/37/25/931543725.db2.gz	FIIDVODMUGOCBP-WWMYMODYSA-N	1	0	359.514	1.923	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC1(C)CC1)C2	ZINC001112556957	931543989	/nfs/dbraw/zinc/54/39/89/931543989.db2.gz	FIIDVODMUGOCBP-FIKGOQFSSA-N	1	0	359.514	1.923	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1cnn(CC)c1)C2	ZINC001112561338	931587475	/nfs/dbraw/zinc/58/74/75/931587475.db2.gz	SGSNHNINXKHDQX-ICSRJNTNSA-N	1	0	360.502	1.866	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc3c([nH]1)CCC3)C2	ZINC001112561308	931587759	/nfs/dbraw/zinc/58/77/59/931587759.db2.gz	QUZIINQEONCIQT-KKSFZXQISA-N	1	0	368.481	1.085	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnn(-c3nccs3)c1)C2	ZINC001112561545	931589620	/nfs/dbraw/zinc/58/96/20/931589620.db2.gz	FWDFENNTBXQROF-YJBOKZPZSA-N	1	0	355.467	1.794	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C(=O)NC)CCC1)C2	ZINC001112568571	931631178	/nfs/dbraw/zinc/63/11/78/931631178.db2.gz	YZYSVPZCDFXKPW-LPHOPBHVSA-N	1	0	363.502	1.324	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc3nnn(C)c3c1)C2	ZINC001112570518	931652126	/nfs/dbraw/zinc/65/21/26/931652126.db2.gz	BPMYXLKYXZDGDA-JXFKEZNVSA-N	1	0	351.454	1.824	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)c1cccc(C)c1)C2	ZINC001112573639	931676816	/nfs/dbraw/zinc/67/68/16/931676816.db2.gz	OBFSHTOXKOVUSP-UGKGYDQZSA-N	1	0	367.493	1.966	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc3c(c1)nnn3CC)C2	ZINC001112577069	931690166	/nfs/dbraw/zinc/69/01/66/931690166.db2.gz	YOFAGXAWUKGHGL-JXFKEZNVSA-N	1	0	351.454	1.916	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC1CCN(C(C)=O)CC1)C2	ZINC001112583043	931751593	/nfs/dbraw/zinc/75/15/93/931751593.db2.gz	ZXXQMFVTHFESAX-FPOVZHCZSA-N	1	0	359.514	1.877	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(C)nc1C)C2	ZINC001112583787	931757731	/nfs/dbraw/zinc/75/77/31/931757731.db2.gz	JKULNWRIXCLZDR-UWJYYQICSA-N	1	0	368.481	1.280	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1c(C)c(C)sc1=O)C2	ZINC001112585786	931766516	/nfs/dbraw/zinc/76/65/16/931766516.db2.gz	QKJYWSSNBBWJLK-LPHOPBHVSA-N	1	0	361.511	1.768	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CC2)C1	ZINC001112585865	931767513	/nfs/dbraw/zinc/76/75/13/931767513.db2.gz	WFYFFGKMMYEMKB-JXFKEZNVSA-N	1	0	362.518	1.879	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CS(=O)(=O)CCCC)C2	ZINC001112586493	931776866	/nfs/dbraw/zinc/77/68/66/931776866.db2.gz	BXBYWUGWTQQKAS-WMZOPIPTSA-N	1	0	354.516	1.443	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COc1cccc(C(N)=O)c1)C2	ZINC001112584770	931786559	/nfs/dbraw/zinc/78/65/59/931786559.db2.gz	JNQILXFCQPMGDA-JXFKEZNVSA-N	1	0	355.438	1.016	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nncs2)C1	ZINC001112589932	931807853	/nfs/dbraw/zinc/80/78/53/931807853.db2.gz	WFWBDMWQOKKILK-ZQIUZPCESA-N	1	0	350.488	1.848	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@](F)(C#N)C3)cc2)CC1	ZINC000786444253	931919249	/nfs/dbraw/zinc/91/92/49/931919249.db2.gz	XVQZYTXIFWSFLP-IBGZPJMESA-N	1	0	373.432	1.231	20	30		FDEDRO
CCN(CCC[NH+](C)C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N	ZINC000786812404	932047903	/nfs/dbraw/zinc/04/79/03/932047903.db2.gz	HOMJDMBKRHFQAY-CABCVRRESA-N	1	0	367.494	1.729	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)COC(=O)CC[N@@H+]1CCc2ccccc2C1	ZINC000786813767	932049382	/nfs/dbraw/zinc/04/93/82/932049382.db2.gz	AAJBCSVFDRZDDU-MRXNPFEDSA-N	1	0	357.454	1.986	20	30		FDEDRO
S=C(NC[C@@H]1CCCO1)NN=C1CCOC[C@@H]1C[NH+]1CCCCC1	ZINC000787150274	932197311	/nfs/dbraw/zinc/19/73/11/932197311.db2.gz	LZKRTESGHMSTCR-GJZGRUSLSA-N	1	0	354.520	1.508	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C)[C@@H]1CCCO1	ZINC000787160510	932204698	/nfs/dbraw/zinc/20/46/98/932204698.db2.gz	XNICUDLBARIJOF-MOPGFXCFSA-N	1	0	371.481	1.440	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C)[C@H]1CCCO1	ZINC000787160513	932204856	/nfs/dbraw/zinc/20/48/56/932204856.db2.gz	XNICUDLBARIJOF-RTBURBONSA-N	1	0	371.481	1.440	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)NCc1cccc(C[NH+](CC)CC)c1)[C@H]1CCCO1	ZINC000787287897	932244582	/nfs/dbraw/zinc/24/45/82/932244582.db2.gz	GZVRJQJQMBCZRF-RTBURBONSA-N	1	0	371.481	1.442	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)c2cc(N3CCSCC3)ncn2)n1	ZINC000788559262	932731217	/nfs/dbraw/zinc/73/12/17/932731217.db2.gz	GOEYISNOXBOELN-UHFFFAOYSA-N	1	0	372.498	1.513	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)n1	ZINC000789063847	932923788	/nfs/dbraw/zinc/92/37/88/932923788.db2.gz	KMBXWMSGNMQGLZ-SJLPKXTDSA-N	1	0	361.490	1.547	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)n1	ZINC000789074434	932925640	/nfs/dbraw/zinc/92/56/40/932925640.db2.gz	FLJVWODJFDDNOH-RDJZCZTQSA-N	1	0	359.474	1.300	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)n1	ZINC000789251632	932967717	/nfs/dbraw/zinc/96/77/17/932967717.db2.gz	YRZTXAYXGNBJAW-IBGZPJMESA-N	1	0	373.501	1.691	20	30		FDEDRO
C=C(C)CNC(=S)C(C(=O)c1cnn(C)n1)[n+]1ccc(N(C)C)cc1	ZINC000789392817	933005812	/nfs/dbraw/zinc/00/58/12/933005812.db2.gz	GIVYQQQJSOAYOP-UHFFFAOYSA-O	1	0	359.479	1.025	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)C1	ZINC001086591659	933793533	/nfs/dbraw/zinc/79/35/33/933793533.db2.gz	YDDSFTRNSTXFME-HSALFYBXSA-N	1	0	367.493	1.851	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC(=O)N(C(C)C)C2)C1	ZINC001086591660	933793864	/nfs/dbraw/zinc/79/38/64/933793864.db2.gz	YDDSFTRNSTXFME-SLFFLAALSA-N	1	0	367.493	1.851	20	30		FDEDRO
C#C[C@@H](CCC)NC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000791070566	933858084	/nfs/dbraw/zinc/85/80/84/933858084.db2.gz	VPAVEPPFVIZHJC-MOPGFXCFSA-N	1	0	370.497	1.985	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccnn2CCOC)C1	ZINC001086594299	933880507	/nfs/dbraw/zinc/88/05/07/933880507.db2.gz	RFQNMDKYJAKIDK-ZWKOTPCHSA-N	1	0	354.454	1.913	20	30		FDEDRO
N#C[C@@H](c1cccc(Cl)c1)N1CCN(C[C@H](O)C[NH+]2CCCC2)CC1	ZINC000791621466	934068656	/nfs/dbraw/zinc/06/86/56/934068656.db2.gz	VLIYQZGJMMFMJZ-MOPGFXCFSA-N	1	0	362.905	1.979	20	30		FDEDRO
N#CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1	ZINC001086600615	934091949	/nfs/dbraw/zinc/09/19/49/934091949.db2.gz	FFICRFZDQNIYJS-XUVXKRRUSA-N	1	0	352.482	1.969	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCCN(C)C2=O)C1	ZINC001086619236	938353833	/nfs/dbraw/zinc/35/38/33/938353833.db2.gz	GGWWYSAGNGTVIZ-SLFFLAALSA-N	1	0	367.493	1.852	20	30		FDEDRO
C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccn3c(=O)[nH]nc23)C1	ZINC001086619627	938354916	/nfs/dbraw/zinc/35/49/16/938354916.db2.gz	ZTBREIPJAYQRQG-DLBZAZTESA-N	1	0	361.405	1.266	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnn(C)c2OC)C1	ZINC001086621787	938381995	/nfs/dbraw/zinc/38/19/95/938381995.db2.gz	OCGHQAZKQPEYDT-ZWKOTPCHSA-N	1	0	352.438	1.650	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1	ZINC000794337832	938388752	/nfs/dbraw/zinc/38/87/52/938388752.db2.gz	AUPQJGIFVPKKCZ-UHFFFAOYSA-N	1	0	365.389	1.519	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ncccc2OC)[C@@H](n2ccnn2)C1	ZINC001129404159	938417165	/nfs/dbraw/zinc/41/71/65/938417165.db2.gz	MODVCDPBYIVGRI-XHSDSOJGSA-N	1	0	370.457	1.692	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2cc(C)cn2)[C@@H](n2ccnn2)C1	ZINC001129453582	938420544	/nfs/dbraw/zinc/42/05/44/938420544.db2.gz	CZNDFRXXALVQOV-KSZLIROESA-N	1	0	371.489	1.570	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)CCc2c(C)n[nH]c2C)[C@@H](n2ccnn2)C1	ZINC001129433731	938423632	/nfs/dbraw/zinc/42/36/32/938423632.db2.gz	OVFSPARXLIVFEC-SJORKVTESA-N	1	0	357.462	1.168	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)COc2ccccc2F)[C@@H](n2ccnn2)C1	ZINC001129433780	938423934	/nfs/dbraw/zinc/42/39/34/938423934.db2.gz	RIBARCLVKTZALI-CVEARBPZSA-N	1	0	359.405	1.414	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cccnc2N(C)C)[C@@H](n2ccnn2)C1	ZINC001129433786	938424110	/nfs/dbraw/zinc/42/41/10/938424110.db2.gz	RQKJUWODTFCPGT-SJORKVTESA-N	1	0	369.473	1.361	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)CCc2nccs2)[C@@H](n2ccnn2)C1	ZINC001129440880	938426162	/nfs/dbraw/zinc/42/61/62/938426162.db2.gz	AUUSRSQSPIELKG-CABCVRRESA-N	1	0	360.487	1.675	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC/C=C\CCC)C[C@@H]1n1ccnn1	ZINC001129481470	938434115	/nfs/dbraw/zinc/43/41/15/938434115.db2.gz	LUZNDOPHVUGUAU-NGQZUZBJSA-N	1	0	361.490	1.957	20	30		FDEDRO
CCCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H](n2ccnn2)C1	ZINC001129598637	938462023	/nfs/dbraw/zinc/46/20/23/938462023.db2.gz	PRHHZVOOJFBTLS-MSOLQXFVSA-N	1	0	352.442	1.882	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C=C2CCCCC2)C[C@@H]1n1ccnn1	ZINC001129638043	938475931	/nfs/dbraw/zinc/47/59/31/938475931.db2.gz	OXZWDXXNYGYXFS-MSOLQXFVSA-N	1	0	357.458	1.160	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]([NH2+]Cc2cccc(OC)c2)[C@@H](n2ccnn2)C1	ZINC001129681289	938484150	/nfs/dbraw/zinc/48/41/50/938484150.db2.gz	NGTNNJBWWILGOD-MSOLQXFVSA-N	1	0	371.441	1.031	20	30		FDEDRO
CO[C@@H](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H](n2ccnn2)C1	ZINC001129675739	938490490	/nfs/dbraw/zinc/49/04/90/938490490.db2.gz	WPYPZJQJYUKWPF-QGTPRVQTSA-N	1	0	368.441	1.116	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCOC2)C[C@@H]1n1ccnn1	ZINC001129675325	938490531	/nfs/dbraw/zinc/49/05/31/938490531.db2.gz	LZJRNAPAMVTOCH-KSZLIROESA-N	1	0	361.490	1.793	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H]([NH2+]CCOCC(F)F)[C@@H](n2ccnn2)C1	ZINC001129757101	938502316	/nfs/dbraw/zinc/50/23/16/938502316.db2.gz	VPPQCMIACKMWMM-CABCVRRESA-N	1	0	369.416	1.095	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C(F)=C2CCCC2)C[C@@H]1n1ccnn1	ZINC001129741517	938504443	/nfs/dbraw/zinc/50/44/43/938504443.db2.gz	AILLHHWDSJQRHS-CVEARBPZSA-N	1	0	361.421	1.067	20	30		FDEDRO
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1	ZINC001129797804	938510276	/nfs/dbraw/zinc/51/02/76/938510276.db2.gz	KRJIVKSMHMMIGP-QZTJIDSGSA-N	1	0	367.453	1.665	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H]([NH2+]CCOCCCC)[C@@H](n2ccnn2)C1	ZINC001129778010	938513676	/nfs/dbraw/zinc/51/36/76/938513676.db2.gz	IWOYUQCKPYWNAM-MSOLQXFVSA-N	1	0	361.490	1.630	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]CCOCCC(C)C)[C@@H](n2ccnn2)C1	ZINC001129787715	938516000	/nfs/dbraw/zinc/51/60/00/938516000.db2.gz	DZEZEXACTCJJGQ-MSOLQXFVSA-N	1	0	361.490	1.486	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H]([NH2+]CCc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129822335	938522275	/nfs/dbraw/zinc/52/22/75/938522275.db2.gz	QOSAYTOVBQEHLC-MOPGFXCFSA-N	1	0	351.454	1.522	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CC2CCCCC2)[C@@H](n2ccnn2)C1	ZINC001129829521	938523775	/nfs/dbraw/zinc/52/37/75/938523775.db2.gz	JROWUNNOXIYGDG-JQHSSLGASA-N	1	0	359.474	1.238	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cn2ccc(C)n2)C[C@@H]1n1ccnn1	ZINC001129866355	938525295	/nfs/dbraw/zinc/52/52/95/938525295.db2.gz	AEVXASXETKTMLN-NXHRZFHOSA-N	1	0	371.489	1.427	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]([NH2+]CC#CCOC)[C@@H](n2ccnn2)C1	ZINC001129866631	938529658	/nfs/dbraw/zinc/52/96/58/938529658.db2.gz	GBKQDZGFZXZZLT-CABCVRRESA-N	1	0	365.865	1.048	20	30		FDEDRO
C=CCCOCCCCC(=O)N1C[C@@H]([NH2+]CCOC)[C@@H](n2ccnn2)C1	ZINC001129838456	938535458	/nfs/dbraw/zinc/53/54/58/938535458.db2.gz	XEDWAJKJTRMGBJ-SJORKVTESA-N	1	0	365.478	1.029	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H]([NH2+]CCO[C@@H]2CC2(F)F)[C@@H](n2ccnn2)C1	ZINC001129881240	938537162	/nfs/dbraw/zinc/53/71/62/938537162.db2.gz	AZWFPZBKQLQOOJ-QLFBSQMISA-N	1	0	369.416	1.400	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn(C(C)(C)C)c2C)C[C@@H]1n1ccnn1	ZINC001129884703	938538949	/nfs/dbraw/zinc/53/89/49/938538949.db2.gz	RILOYLOKNRRZHO-SJORKVTESA-N	1	0	369.473	1.217	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccnn2C(CC)CC)C[C@@H]1n1ccnn1	ZINC001129892221	938542981	/nfs/dbraw/zinc/54/29/81/938542981.db2.gz	NCYIHKDVFAINCM-AEFFLSMTSA-N	1	0	369.473	1.514	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cnc(C)o2)C[C@@H]1n1ccnn1	ZINC001129892471	938543576	/nfs/dbraw/zinc/54/35/76/938543576.db2.gz	YUHCIXRCZZQDDZ-XYPHTWIQSA-N	1	0	358.446	1.513	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2scc(C)c2Cl)C[C@@H]1n1ccnn1	ZINC001129867511	938543856	/nfs/dbraw/zinc/54/38/56/938543856.db2.gz	SDEQVCKGHACVEQ-OLZOCXBDSA-N	1	0	363.874	1.980	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H]([NH2+]CCOCC(C)C)[C@@H](n2ccnn2)C1	ZINC001129876600	938547053	/nfs/dbraw/zinc/54/70/53/938547053.db2.gz	UIKBORPFMMCUNI-SJORKVTESA-N	1	0	363.506	1.895	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccn(CC(C)C)n2)C[C@@H]1n1ccnn1	ZINC001129876789	938547253	/nfs/dbraw/zinc/54/72/53/938547253.db2.gz	ZSYWQOFDFXPLGO-SJORKVTESA-N	1	0	357.462	1.362	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@@H]1n1ccnn1	ZINC001129906945	938548986	/nfs/dbraw/zinc/54/89/86/938548986.db2.gz	INDOFSVSQQYVAF-CVEARBPZSA-N	1	0	371.445	1.175	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C/C=C/c2ccccc2F)C[C@@H]1n1ccnn1	ZINC001129910115	938549695	/nfs/dbraw/zinc/54/96/95/938549695.db2.gz	DIQZYTACLLNQGN-ZFYPLVIYSA-N	1	0	367.428	1.886	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)CC[C@H](C)C3)C[C@@H]1n1ccnn1	ZINC001129910454	938550223	/nfs/dbraw/zinc/55/02/23/938550223.db2.gz	UFWTWBSUAIRSSL-UXLLHSPISA-N	1	0	369.473	1.288	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)n([C@@H](C)CC)n2)C[C@@H]1n1ccnn1	ZINC001129917291	938554092	/nfs/dbraw/zinc/55/40/92/938554092.db2.gz	PJTSUHXREZXWGQ-QGTPRVQTSA-N	1	0	369.473	1.433	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)n([C@H](C)CC)n2)C[C@@H]1n1ccnn1	ZINC001129917288	938554099	/nfs/dbraw/zinc/55/40/99/938554099.db2.gz	PJTSUHXREZXWGQ-OLMNPRSZSA-N	1	0	369.473	1.433	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H]([NH2+]CCOCC3CC3)[C@@H](n3ccnn3)C2)CCC1	ZINC001129894372	938555552	/nfs/dbraw/zinc/55/55/52/938555552.db2.gz	CZMNUOSYFDBJCV-MSOLQXFVSA-N	1	0	371.485	1.240	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2cccc(OC)c2)C[C@@H]1n1ccnn1	ZINC001129932203	938562335	/nfs/dbraw/zinc/56/23/35/938562335.db2.gz	QNADQNASTNBXER-MOPGFXCFSA-N	1	0	369.469	1.837	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2cnn(C)c2)C[C@@H]1n1ccnn1	ZINC001129941343	938566605	/nfs/dbraw/zinc/56/66/05/938566605.db2.gz	WFOYJMSBPXKOMB-NXHRZFHOSA-N	1	0	371.489	1.513	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3cncn3C2)C[C@@H]1n1ccnn1	ZINC001129919168	938567542	/nfs/dbraw/zinc/56/75/42/938567542.db2.gz	PIOWIYZAQMYMMZ-JQHSSLGASA-N	1	0	369.473	1.045	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001129925217	938570790	/nfs/dbraw/zinc/57/07/90/938570790.db2.gz	UGVIJBNNROBXCH-MSOLQXFVSA-N	1	0	355.417	1.415	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)[nH]c3ccccc32)C[C@@H]1n1ccnn1	ZINC001129927253	938571741	/nfs/dbraw/zinc/57/17/41/938571741.db2.gz	SCGFJIGOMNHMQI-MSOLQXFVSA-N	1	0	362.437	1.746	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc3n[nH]cc3c2)C[C@@H]1n1ccnn1	ZINC001129980250	938595498	/nfs/dbraw/zinc/59/54/98/938595498.db2.gz	GOWOOZXFXYGFEX-MSOLQXFVSA-N	1	0	365.441	1.776	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3ccc(F)cc32)C[C@@H]1n1ccnn1	ZINC001129980196	938595512	/nfs/dbraw/zinc/59/55/12/938595512.db2.gz	DCNRHLDIKOHVHG-KSZLIROESA-N	1	0	353.401	1.122	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3nn(C)cc32)C[C@@H]1n1ccnn1	ZINC001129982252	938596986	/nfs/dbraw/zinc/59/69/86/938596986.db2.gz	ALPJVDCBPOJETD-QGTPRVQTSA-N	1	0	369.473	1.049	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H](COC)OC)C[C@@H]1n1ccnn1	ZINC001130002600	938608769	/nfs/dbraw/zinc/60/87/69/938608769.db2.gz	JXAWNJIMGDKHMQ-IKGGRYGDSA-N	1	0	365.478	1.027	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C(C2CCC2)C2CCC2)C[C@@H]1n1ccnn1	ZINC001129986663	938610000	/nfs/dbraw/zinc/61/00/00/938610000.db2.gz	IEUCASNHCMQBNT-MSOLQXFVSA-N	1	0	355.486	1.859	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCCCO2)[C@@H](n2ccnn2)C1	ZINC001129986629	938610129	/nfs/dbraw/zinc/61/01/29/938610129.db2.gz	HDBYWWIWZYGFBH-KSZLIROESA-N	1	0	361.490	1.935	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCc3nc(C)sc32)CC1	ZINC000804892342	938610577	/nfs/dbraw/zinc/61/05/77/938610577.db2.gz	CWFZZXMOIDMSHK-HNNXBMFYSA-N	1	0	362.499	1.712	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCc3nc(C)ncc32)CC1	ZINC000804899291	938612768	/nfs/dbraw/zinc/61/27/68/938612768.db2.gz	UQIZSYGKIHNGLU-SFHVURJKSA-N	1	0	371.485	1.435	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ncccc2OCCC)C[C@@H]1n1ccnn1	ZINC001129992145	938613747	/nfs/dbraw/zinc/61/37/47/938613747.db2.gz	NCDPFTVYGXQURO-CVEARBPZSA-N	1	0	368.441	1.141	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1	ZINC001130023049	938621183	/nfs/dbraw/zinc/62/11/83/938621183.db2.gz	SVNCEONHSCMVRG-SJORKVTESA-N	1	0	354.458	1.817	20	30		FDEDRO
C#CCCCS(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	ZINC000804951347	938621640	/nfs/dbraw/zinc/62/16/40/938621640.db2.gz	SPMXZJNAJOMFRI-UHFFFAOYSA-N	1	0	369.531	1.044	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3occc3s2)C[C@@H]1n1ccnn1	ZINC001130006175	938623695	/nfs/dbraw/zinc/62/36/95/938623695.db2.gz	WUQKHMCJTGCVCU-OLZOCXBDSA-N	1	0	355.423	1.764	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)C=CCC3)C[C@@H]1n1ccnn1	ZINC001130040695	938627029	/nfs/dbraw/zinc/62/70/29/938627029.db2.gz	HNLBUCXCLZXBFE-UXHICEINSA-N	1	0	361.449	1.916	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc([C@H](C)CC)no2)C[C@@H]1n1ccnn1	ZINC001130032769	938633476	/nfs/dbraw/zinc/63/34/76/938633476.db2.gz	MFHPCMUVTZPSCB-BMFZPTHFSA-N	1	0	356.430	1.458	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cn2ncc3ccccc32)C[C@@H]1n1ccnn1	ZINC001130044091	938643381	/nfs/dbraw/zinc/64/33/81/938643381.db2.gz	PQJGRBWEOLCOJD-AEFFLSMTSA-N	1	0	365.441	1.246	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(Cl)ccc2C)C[C@@H]1n1ccnn1	ZINC001130047028	938645994	/nfs/dbraw/zinc/64/59/94/938645994.db2.gz	SIGNVXZBJSFIQO-SJORKVTESA-N	1	0	357.845	1.919	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2noc3c2C[C@H](C)CC3)C[C@@H]1n1ccnn1	ZINC001130065814	938653634	/nfs/dbraw/zinc/65/36/34/938653634.db2.gz	UFEGMUQPJFSVCR-BMFZPTHFSA-N	1	0	368.441	1.070	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)CC(C)C)C[C@@H]1n1ccnn1	ZINC001130081484	938662859	/nfs/dbraw/zinc/66/28/59/938662859.db2.gz	RFFWSIADDMVMEH-KSZLIROESA-N	1	0	361.490	1.342	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3c(cccc3C)O2)C[C@@H]1n1ccnn1	ZINC001130086207	938667451	/nfs/dbraw/zinc/66/74/51/938667451.db2.gz	PRJUPPQQYRYMBV-ZIFCJYIRSA-N	1	0	367.453	1.508	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3nc[nH]c3C2)C[C@@H]1n1ccnn1	ZINC001130077362	938670653	/nfs/dbraw/zinc/67/06/53/938670653.db2.gz	DUXCENZMIZDJNV-OLMNPRSZSA-N	1	0	369.473	1.114	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn(CCCC)c2C)C[C@@H]1n1ccnn1	ZINC001130077370	938670733	/nfs/dbraw/zinc/67/07/33/938670733.db2.gz	FERYJSBQXZKEBF-MSOLQXFVSA-N	1	0	369.473	1.262	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]CCCCC)[C@@H](n3ccnn3)C2)cn1	ZINC001130091530	938677113	/nfs/dbraw/zinc/67/71/13/938677113.db2.gz	YQPJUXBVSIZUSO-MSOLQXFVSA-N	1	0	352.442	1.500	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]CC/C=C\CC)[C@@H](n3ccnn3)C2)nc1	ZINC001130094427	938679098	/nfs/dbraw/zinc/67/90/98/938679098.db2.gz	KNNTVSRSAGRXGM-WYNBNGFRSA-N	1	0	364.453	1.666	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]C[C@H](F)CC)[C@@H](n3ccnn3)C2)nc1	ZINC001130094816	938679392	/nfs/dbraw/zinc/67/93/92/938679392.db2.gz	QVEXKFOKEQGGGP-OIISXLGYSA-N	1	0	356.405	1.058	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCCc2ccccn2)C[C@@H]1n1ccnn1	ZINC001130099542	938682128	/nfs/dbraw/zinc/68/21/28/938682128.db2.gz	HSOOIDXTRQYROQ-MSOLQXFVSA-N	1	0	352.442	1.061	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3cccnc3C2)C[C@@H]1n1ccnn1	ZINC001130105028	938685684	/nfs/dbraw/zinc/68/56/84/938685684.db2.gz	HEICDEZONMDOQL-UHOSZYNNSA-N	1	0	366.469	1.396	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2sccc2C(F)F)C[C@@H]1n1ccnn1	ZINC001130104956	938685689	/nfs/dbraw/zinc/68/56/89/938685689.db2.gz	DMAGEIVCQNUVFL-OLZOCXBDSA-N	1	0	365.409	1.956	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COc2ccc(CC)cc2)C[C@@H]1n1ccnn1	ZINC001130112515	938691946	/nfs/dbraw/zinc/69/19/46/938691946.db2.gz	DBFYSLUVUBOQMY-MOPGFXCFSA-N	1	0	367.453	1.284	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2ccc(OC)cc2)C[C@@H]1n1ccnn1	ZINC001130112641	938692320	/nfs/dbraw/zinc/69/23/20/938692320.db2.gz	KKFSHIVIBRRDDL-MOPGFXCFSA-N	1	0	367.453	1.284	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2nc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001130125417	938696154	/nfs/dbraw/zinc/69/61/54/938696154.db2.gz	MYFFJILFTQQRGQ-KURKYZTESA-N	1	0	369.473	1.108	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)COc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130125585	938696745	/nfs/dbraw/zinc/69/67/45/938696745.db2.gz	VOCDDWYPGMSEQF-UHOSZYNNSA-N	1	0	369.469	1.911	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](Cc2ccccc2)OC)C[C@@H]1n1ccnn1	ZINC001130127907	938697505	/nfs/dbraw/zinc/69/75/05/938697505.db2.gz	OWEVNFPIDIIHKX-QYZOEREBSA-N	1	0	369.469	1.453	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)n2nc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001130148110	938706749	/nfs/dbraw/zinc/70/67/49/938706749.db2.gz	GORNQHJFAPXXQP-BBWFWOEESA-N	1	0	357.462	1.270	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CN(C)Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130153283	938716961	/nfs/dbraw/zinc/71/69/61/938716961.db2.gz	HUHUNXBRGGSHAH-MOPGFXCFSA-N	1	0	368.485	1.328	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccnc2OC(C)C)C[C@@H]1n1ccnn1	ZINC001130161540	938721713	/nfs/dbraw/zinc/72/17/13/938721713.db2.gz	YITPQTKISMPYGQ-SJORKVTESA-N	1	0	370.457	1.692	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc3c2CCC3)C[C@@H]1n1ccnn1	ZINC001130148222	938722519	/nfs/dbraw/zinc/72/25/19/938722519.db2.gz	KPLYXEZZAQYFMI-MOPGFXCFSA-N	1	0	351.454	1.998	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(F)F)[nH]1	ZINC001130179863	938727306	/nfs/dbraw/zinc/72/73/06/938727306.db2.gz	UDJICYQIFWLUOI-AVGNSLFASA-N	1	0	371.432	1.893	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccc(F)c2)[nH]1	ZINC001130181439	938728351	/nfs/dbraw/zinc/72/83/51/938728351.db2.gz	HUMYAJASNASONQ-HOTGVXAUSA-N	1	0	371.416	1.359	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=C(C)C2CC2)[nH]1	ZINC001130187051	938732712	/nfs/dbraw/zinc/73/27/12/938732712.db2.gz	SWMJDOYXJXWNQC-UPUWXQQRSA-N	1	0	357.458	1.263	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)OCC)[nH]1	ZINC001130187981	938734568	/nfs/dbraw/zinc/73/45/68/938734568.db2.gz	SOWIBUJUYVMFLW-ILXRZTDVSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCC)[nH]1	ZINC001130190824	938736253	/nfs/dbraw/zinc/73/62/53/938736253.db2.gz	OZEAAYCSKVIDCU-ILXRZTDVSA-N	1	0	365.478	1.274	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)=C2CCCC2)n1	ZINC001130198483	938740636	/nfs/dbraw/zinc/74/06/36/938740636.db2.gz	MPDGEWRTTVSYNL-HOTGVXAUSA-N	1	0	357.458	1.407	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2occc2C)[nH]1	ZINC001130183120	938742528	/nfs/dbraw/zinc/74/25/28/938742528.db2.gz	QVUOYWDDJNBFAP-KBPBESRZSA-N	1	0	359.430	1.674	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=C2CCC2)[nH]1	ZINC001130200486	938754166	/nfs/dbraw/zinc/75/41/66/938754166.db2.gz	KZCBNICTQYSJDD-HOTGVXAUSA-N	1	0	359.474	1.960	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2cccnc2)[nH]1	ZINC001130200375	938754224	/nfs/dbraw/zinc/75/42/24/938754224.db2.gz	KEJKNJHPNGTPGC-HOTGVXAUSA-N	1	0	370.457	1.097	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)COC)[nH]1	ZINC001130202749	938755456	/nfs/dbraw/zinc/75/54/56/938755456.db2.gz	IZBRDOAKFSYHOO-KKUMJFAQSA-N	1	0	365.478	1.132	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@]23C[C@@H]2CCCC3)n1	ZINC001130239943	938756131	/nfs/dbraw/zinc/75/61/31/938756131.db2.gz	DURTYAPRHHYJSA-XLPNERPQSA-N	1	0	357.458	1.097	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)COC)[nH]1	ZINC001130223213	938757210	/nfs/dbraw/zinc/75/72/10/938757210.db2.gz	QXQVKYPUDDFOEP-KBPBESRZSA-N	1	0	365.478	1.132	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)C(CC)CC)n1	ZINC001130223659	938757444	/nfs/dbraw/zinc/75/74/44/938757444.db2.gz	ZYFGNRCVEXUDJN-BPUTZDHNSA-N	1	0	361.490	1.589	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)CC(F)F)[nH]1	ZINC001130224991	938759194	/nfs/dbraw/zinc/75/91/94/938759194.db2.gz	MFPIESZYMPGUJU-AGIUHOORSA-N	1	0	369.416	1.198	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@]2(C)C=CCC2)n1	ZINC001130227515	938761193	/nfs/dbraw/zinc/76/11/93/938761193.db2.gz	BRTDDORZXOSNFN-YZVOILCLSA-N	1	0	357.458	1.263	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](F)CC)[nH]1	ZINC001130227884	938762148	/nfs/dbraw/zinc/76/21/48/938762148.db2.gz	TVSPIJVHELWJHV-MJBXVCDLSA-N	1	0	353.442	1.597	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ncc(C)cc2C)[nH]1	ZINC001130230355	938763802	/nfs/dbraw/zinc/76/38/02/938763802.db2.gz	UJAXVKNHOBCCPY-GJZGRUSLSA-N	1	0	370.457	1.395	20	30		FDEDRO
C=C[C@H](CC)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)[nH]1	ZINC001130232877	938765027	/nfs/dbraw/zinc/76/50/27/938765027.db2.gz	RPVWKTCERDMLSL-KBMXLJTQSA-N	1	0	361.490	1.895	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccccc2CC)[nH]1	ZINC001130233028	938765294	/nfs/dbraw/zinc/76/52/94/938765294.db2.gz	WAWYRYSTSRIBPH-IRXDYDNUSA-N	1	0	369.469	1.945	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCOC)[nH]1	ZINC001130234723	938765864	/nfs/dbraw/zinc/76/58/64/938765864.db2.gz	JAKFXNXEOTYPET-DEYYWGMASA-N	1	0	365.478	1.132	20	30		FDEDRO
C=C1CC(C)(C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CC(C)C)[nH]2)C1	ZINC001130234923	938766273	/nfs/dbraw/zinc/76/62/73/938766273.db2.gz	PLLFHADBTPGSAK-GJZGRUSLSA-N	1	0	361.490	1.895	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)C(C)(F)F)[nH]1	ZINC001130237954	938767552	/nfs/dbraw/zinc/76/75/52/938767552.db2.gz	LUPYVLDCVONIDQ-AVGNSLFASA-N	1	0	371.432	1.750	20	30		FDEDRO
C=CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCOC)[nH]1	ZINC001130238116	938767874	/nfs/dbraw/zinc/76/78/74/938767874.db2.gz	UKXYVGRUSPUFTK-GJZGRUSLSA-N	1	0	365.478	1.276	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCC(C)(C)C)n1	ZINC001130242440	938769876	/nfs/dbraw/zinc/76/98/76/938769876.db2.gz	XCDPTOVIKBIJST-GJZGRUSLSA-N	1	0	361.490	1.733	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2nocc2C)[nH]1	ZINC001130244629	938770649	/nfs/dbraw/zinc/77/06/49/938770649.db2.gz	MIWKJSGGOKUBMP-STQMWFEESA-N	1	0	360.418	1.069	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(CC)CCCC2)n1	ZINC001130246413	938771738	/nfs/dbraw/zinc/77/17/38/938771738.db2.gz	KHODXVNXQJBOMB-GJZGRUSLSA-N	1	0	359.474	1.487	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)C2CCCC2)n1	ZINC001130246343	938771769	/nfs/dbraw/zinc/77/17/69/938771769.db2.gz	GREMWPDGWMDHBK-KBMXLJTQSA-N	1	0	359.474	1.343	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(C)c(C)c2)n1	ZINC001130249301	938773541	/nfs/dbraw/zinc/77/35/41/938773541.db2.gz	WPPJIHMRAFZHIO-IRXDYDNUSA-N	1	0	367.453	1.447	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCCC(C)=O)CC1	ZINC001130269483	938784233	/nfs/dbraw/zinc/78/42/33/938784233.db2.gz	RTWPQIOJYVSQSR-XLIONFOSSA-N	1	0	361.486	1.244	20	30		FDEDRO
C=CCOCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C=C(C)C)CC1	ZINC001130271561	938785386	/nfs/dbraw/zinc/78/53/86/938785386.db2.gz	GPVQVIPPPNCETH-XLIONFOSSA-N	1	0	363.502	1.631	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C1=O	ZINC001130272715	938785923	/nfs/dbraw/zinc/78/59/23/938785923.db2.gz	GQZZEZAKGIJWBZ-HZSPNIEDSA-N	1	0	361.408	1.848	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CSCC#N)CC1	ZINC001130274218	938786211	/nfs/dbraw/zinc/78/62/11/938786211.db2.gz	BUOYVKJLQLWLER-QAPCUYQASA-N	1	0	364.515	1.295	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)/C=C(\C)C2CC2)CC1	ZINC001130274588	938787064	/nfs/dbraw/zinc/78/70/64/938787064.db2.gz	VFUFGJRDPHCDBH-IRPQCHLDSA-N	1	0	357.498	1.841	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)OCC(C)C)CC1	ZINC001130277022	938788259	/nfs/dbraw/zinc/78/82/59/938788259.db2.gz	YRYZADQLYRWSBA-SUMDDJOVSA-N	1	0	365.518	1.709	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)OCC(C)C)CC1	ZINC001130277023	938788318	/nfs/dbraw/zinc/78/83/18/938788318.db2.gz	YRYZADQLYRWSBA-WDYCEAGBSA-N	1	0	365.518	1.709	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)/C=C/c2ccc[nH]2)CC1	ZINC001130285321	938790168	/nfs/dbraw/zinc/79/01/68/938790168.db2.gz	DUSDUZYQSYPZAG-YQPNNZSJSA-N	1	0	354.454	1.137	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2ccncc2)CC1	ZINC001130292962	938796402	/nfs/dbraw/zinc/79/64/02/938796402.db2.gz	FWLNBBZEUXMFDC-NQIIRXRSSA-N	1	0	370.497	1.676	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)CC(F)F)CC1	ZINC001130293245	938796686	/nfs/dbraw/zinc/79/66/86/938796686.db2.gz	PGQSQWUQMSCAGQ-QEORTHHSSA-N	1	0	357.445	1.939	20	30		FDEDRO
C=CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2cnco2)CC1	ZINC001130293162	938796745	/nfs/dbraw/zinc/79/67/45/938796745.db2.gz	NIIPLMNCTFPVKA-QAPCUYQASA-N	1	0	360.458	1.730	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCOC)CC1	ZINC001130295558	938797767	/nfs/dbraw/zinc/79/77/67/938797767.db2.gz	HUSMREBIKNBBNY-AEFFLSMTSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCO)CC1	ZINC001130299175	938799473	/nfs/dbraw/zinc/79/94/73/938799473.db2.gz	ZXRGAXZRGXNSJT-APWZRJJASA-N	1	0	351.491	1.201	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2(CF)CCC2)CC1	ZINC001130302428	938800970	/nfs/dbraw/zinc/80/09/70/938800970.db2.gz	ZISMBDGWLQCUFM-AEFFLSMTSA-N	1	0	363.477	1.625	20	30		FDEDRO
C=CCOCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(C)(C)C)CC1	ZINC001130307668	938805544	/nfs/dbraw/zinc/80/55/44/938805544.db2.gz	XXWHZLSYVQZZEZ-AEFFLSMTSA-N	1	0	365.518	1.711	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCCn2cccc2)CC1	ZINC001130310663	938807265	/nfs/dbraw/zinc/80/72/65/938807265.db2.gz	UEYXLQQNYXDEEW-NQIIRXRSSA-N	1	0	370.497	1.377	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC(C)C)CC1	ZINC001130313115	938807728	/nfs/dbraw/zinc/80/77/28/938807728.db2.gz	MGPPWPGVXZUKBV-WDYCEAGBSA-N	1	0	365.518	1.709	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC(C)C)CC1	ZINC001130313114	938807843	/nfs/dbraw/zinc/80/78/43/938807843.db2.gz	MGPPWPGVXZUKBV-SUMDDJOVSA-N	1	0	365.518	1.709	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccncc1	ZINC000805815155	938831713	/nfs/dbraw/zinc/83/17/13/938831713.db2.gz	KRUWSAWDFUSFIU-ZWKOTPCHSA-N	1	0	356.470	1.948	20	30		FDEDRO
CNC(=O)OC[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000805825951	938833817	/nfs/dbraw/zinc/83/38/17/938833817.db2.gz	LCJRSKKBXSOSBW-IAGOWNOFSA-N	1	0	361.442	1.703	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C3=COCCO3)C2)ccc1F	ZINC001086635358	938840500	/nfs/dbraw/zinc/84/05/00/938840500.db2.gz	KVASHGBZHOTKNF-GOEBONIOSA-N	1	0	359.401	1.960	20	30		FDEDRO
C=CCOCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2OCC[C@H]2C)C1	ZINC001130423282	938844375	/nfs/dbraw/zinc/84/43/75/938844375.db2.gz	NTWYJCXPWVYSPK-RKVPGOIHSA-N	1	0	362.474	1.443	20	30		FDEDRO
CCOCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#Cc2ccccc2)C1	ZINC001130485450	938878057	/nfs/dbraw/zinc/87/80/57/938878057.db2.gz	DUFDCVOIUOODQV-AZUAARDMSA-N	1	0	366.465	1.392	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2ccoc2C)C[C@H]1c1cn(C)cn1	ZINC001130488079	938880310	/nfs/dbraw/zinc/88/03/10/938880310.db2.gz	NSNVMTSUAHMBOQ-FUHWJXTLSA-N	1	0	356.426	1.169	20	30		FDEDRO
Cn1cnc([C@@H]2CN(C(=O)CSCC#N)C[C@H]2[NH2+]Cc2cccnc2)c1	ZINC001130502548	938885393	/nfs/dbraw/zinc/88/53/93/938885393.db2.gz	RTHRVUTXCBLEKS-DOTOQJQBSA-N	1	0	370.482	1.156	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cncnc2C)C[C@H]1c1cn(C)cn1	ZINC001130516860	938894047	/nfs/dbraw/zinc/89/40/47/938894047.db2.gz	OQOUYRQDJCGLGL-FUHWJXTLSA-N	1	0	354.458	1.683	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1	ZINC001130537663	938901175	/nfs/dbraw/zinc/90/11/75/938901175.db2.gz	AWPFAXPXLQBLCG-YQQAZPJKSA-N	1	0	369.473	1.049	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1c1cn(C)cn1	ZINC001130586913	939886815	/nfs/dbraw/zinc/88/68/15/939886815.db2.gz	CLJNLNXNNXNSLW-XYJFISCASA-N	1	0	360.502	1.964	20	30		FDEDRO
Cn1cnc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2[NH2+]CCC(F)(F)F)c1	ZINC001130586896	939886846	/nfs/dbraw/zinc/88/68/46/939886846.db2.gz	BSRRURQKWRJIBJ-DZGCQCFKSA-N	1	0	354.376	1.670	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccn(CC(C)C)n2)C[C@H]1c1cn(C)cn1	ZINC001130600874	939895612	/nfs/dbraw/zinc/89/56/12/939895612.db2.gz	PZLSJTOUTUOVAA-QFBILLFUSA-N	1	0	368.485	1.494	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCCCCCC)C[C@H]1c1cn(C)cn1	ZINC001130590118	939896004	/nfs/dbraw/zinc/89/60/04/939896004.db2.gz	ACZRIBNECWLTNT-JENIJYKNSA-N	1	0	360.502	1.923	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCOCC(F)F)C[C@H]1c1cn(C)cn1	ZINC001130594609	939901774	/nfs/dbraw/zinc/90/17/74/939901774.db2.gz	QVEVKFYQVUZOTQ-GOEBONIOSA-N	1	0	370.444	1.942	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COCc2ccc(C)cc2)C[C@H]1c1cn(C)cn1	ZINC001130607954	939920000	/nfs/dbraw/zinc/92/00/00/939920000.db2.gz	UJGGPZRAZDMZJO-AZUAARDMSA-N	1	0	366.465	1.463	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)(C)C)n[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130623826	939921832	/nfs/dbraw/zinc/92/18/32/939921832.db2.gz	IKKISGXUQCLIPQ-WMLDXEAASA-N	1	0	368.485	1.662	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)ccc2OC)C[C@H]1c1cn(C)cn1	ZINC001130623840	939921998	/nfs/dbraw/zinc/92/19/98/939921998.db2.gz	JCASMIYRKJNASH-PKOBYXMFSA-N	1	0	366.465	1.958	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CCCO1	ZINC000806425817	939922602	/nfs/dbraw/zinc/92/26/02/939922602.db2.gz	PEKVWXRBXZBCMK-GBESFXJTSA-N	1	0	369.465	1.064	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)noc2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130626317	939924052	/nfs/dbraw/zinc/92/40/52/939924052.db2.gz	IKKKQXLNNIZUEH-DOTOQJQBSA-N	1	0	367.453	1.815	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2nc(C)sc2C)C[C@H]1c1cn(C)cn1	ZINC001130616777	939928005	/nfs/dbraw/zinc/92/80/05/939928005.db2.gz	AWTYOQXRHJHFFO-MAUKXSAKSA-N	1	0	371.510	1.643	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccnc(OC)c2)C[C@H]1c1cn(C)cn1	ZINC001130621949	939931621	/nfs/dbraw/zinc/93/16/21/939931621.db2.gz	IVRMQOOVTNQBKJ-DOTOQJQBSA-N	1	0	353.426	1.045	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2C[C@H]2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130630583	939935038	/nfs/dbraw/zinc/93/50/38/939935038.db2.gz	OYQCUYKZHYGHLE-CGBFIWBNSA-N	1	0	372.513	1.943	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(OCC)no2)C[C@H]1c1cn(C)cn1	ZINC001130633070	939936554	/nfs/dbraw/zinc/93/65/54/939936554.db2.gz	YZATWDNDAAPLAU-DZGCQCFKSA-N	1	0	357.414	1.028	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2cnn(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130634960	939937184	/nfs/dbraw/zinc/93/71/84/939937184.db2.gz	BYCZHUJJDLPSEY-HHXXYDBFSA-N	1	0	368.485	1.255	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2n[nH]nc2C)C[C@H]1c1cn(C)cn1	ZINC001130637951	939940314	/nfs/dbraw/zinc/94/03/14/939940314.db2.gz	TUKPLLXVVRMBMX-DUVNUKRYSA-N	1	0	357.462	1.399	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cncn2C)C1	ZINC001130644729	939952930	/nfs/dbraw/zinc/95/29/30/939952930.db2.gz	ZYFXSNVQIYHXHV-PKOBYXMFSA-N	1	0	368.485	1.431	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccncc2Cl)C[C@H]1c1cn(C)cn1	ZINC001130671898	939970600	/nfs/dbraw/zinc/97/06/00/939970600.db2.gz	BAFJAGXOXVDVPQ-MAUKXSAKSA-N	1	0	371.872	1.619	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2cccnc2)C[C@H]1c1cn(C)cn1	ZINC001130672108	939971106	/nfs/dbraw/zinc/97/11/06/939971106.db2.gz	HINNCCZYWOZVIB-VDZJLULYSA-N	1	0	367.453	1.190	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2scnc2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130687734	939977598	/nfs/dbraw/zinc/97/75/98/939977598.db2.gz	OLSINEADVPQGGR-GOEBONIOSA-N	1	0	369.494	1.975	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2cn[nH]c2)C[C@H]1c1cn(C)cn1	ZINC001130687900	939977777	/nfs/dbraw/zinc/97/77/77/939977777.db2.gz	WNKRZHJQZFOPCH-FUHWJXTLSA-N	1	0	356.474	1.626	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC23CCC3)C[C@H]1c1cn(C)cn1	ZINC001130682581	939982337	/nfs/dbraw/zinc/98/23/37/939982337.db2.gz	FXKWLNANQBJERQ-LZLYRXPVSA-N	1	0	358.486	1.697	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2ccnc2)C[C@H]1c1cn(C)cn1	ZINC001130683145	939982992	/nfs/dbraw/zinc/98/29/92/939982992.db2.gz	ZGPQGHBUKXRYCH-SOLBZPMBSA-N	1	0	354.458	1.175	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cn(CCC)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130703977	939984469	/nfs/dbraw/zinc/98/44/69/939984469.db2.gz	CKABJNCEVGTXFR-PKOBYXMFSA-N	1	0	368.485	1.556	20	30		FDEDRO
CCC[C@@H](CC)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#CCOC)C1	ZINC001130704096	939984762	/nfs/dbraw/zinc/98/47/62/939984762.db2.gz	CVEUVHXEKDEFHL-ZIFCJYIRSA-N	1	0	360.502	1.780	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)nn2C)C[C@H]1c1cn(C)cn1	ZINC001130706423	939988008	/nfs/dbraw/zinc/98/80/08/939988008.db2.gz	DQKUBPGEDOHETN-MAUKXSAKSA-N	1	0	368.485	1.498	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cn(CCC)nn2)C[C@H]1c1cn(C)cn1	ZINC001130700665	939995654	/nfs/dbraw/zinc/99/56/54/939995654.db2.gz	APUWKXSSNMJWDM-DOTOQJQBSA-N	1	0	371.489	1.586	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cccnc2)C[C@H]1c1cn(C)cn1	ZINC001130715413	940008150	/nfs/dbraw/zinc/00/81/50/940008150.db2.gz	ZAOSJGQXVYFQNF-HHXXYDBFSA-N	1	0	351.454	1.526	20	30		FDEDRO
Cn1cnc([C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@H]2NCC#N)c1	ZINC001130728348	940016534	/nfs/dbraw/zinc/01/65/34/940016534.db2.gz	ABDAPKCTBZCSMP-FUHWJXTLSA-N	1	0	358.490	1.094	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCn2cccn2)C[C@H]1c1cn(C)cn1	ZINC001130728621	940017290	/nfs/dbraw/zinc/01/72/90/940017290.db2.gz	IGZOVFNZKPUBEG-FUHWJXTLSA-N	1	0	356.474	1.557	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2nc(C)c(C)s2)C[C@H]1c1cn(C)cn1	ZINC001130729050	940017995	/nfs/dbraw/zinc/01/79/95/940017995.db2.gz	SEQHRGIMYWRUCV-GOEBONIOSA-N	1	0	357.483	1.715	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2scnc2Cl)C[C@H]1c1cn(C)cn1	ZINC001130729254	940018255	/nfs/dbraw/zinc/01/82/55/940018255.db2.gz	YPJYKAOJYOYNNA-WCQYABFASA-N	1	0	363.874	1.751	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccccc2OC)C[C@H]1c1cn(C)cn1	ZINC001130719393	940022956	/nfs/dbraw/zinc/02/29/56/940022956.db2.gz	NILZJDGHPHIQHQ-FUHWJXTLSA-N	1	0	352.438	1.650	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccnc2OCC)C[C@H]1c1cn(C)cn1	ZINC001130721315	940025132	/nfs/dbraw/zinc/02/51/32/940025132.db2.gz	ARGRPDHPTGWQHQ-FUHWJXTLSA-N	1	0	367.453	1.435	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(C)nc2)C[C@H]1c1cn(C)cn1	ZINC001130726352	940031131	/nfs/dbraw/zinc/03/11/31/940031131.db2.gz	UGPOVWCODRPOOY-PKOBYXMFSA-N	1	0	351.454	1.274	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C/C=C\Cl)C1	ZINC001130741903	940046593	/nfs/dbraw/zinc/04/65/93/940046593.db2.gz	VWSJAXJIPASOJN-AIMYTGRWSA-N	1	0	352.866	1.648	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C=Cc3ccco3)n2)O1	ZINC001130747586	940053301	/nfs/dbraw/zinc/05/33/01/940053301.db2.gz	YUDAVMFWLFDNJR-VKGGURKZSA-N	1	0	357.414	1.723	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(C)(C)F)n2)O1	ZINC001130749890	940057369	/nfs/dbraw/zinc/05/73/69/940057369.db2.gz	UREAWUKIBMWBMG-WDEREUQCSA-N	1	0	359.833	1.731	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)/C=C(\C)C3CC3)n2)O1	ZINC001130761779	940067501	/nfs/dbraw/zinc/06/75/01/940067501.db2.gz	GJXOAQNUMXOXQU-LSALWYQZSA-N	1	0	357.458	1.610	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C(C)C)O2)n[nH]1	ZINC001130762412	940071300	/nfs/dbraw/zinc/07/13/00/940071300.db2.gz	VCMBUZRSXOXYGS-SOUVJXGZSA-N	1	0	365.478	1.620	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CSC(C)C)n2)O1	ZINC001130757842	940082415	/nfs/dbraw/zinc/08/24/15/940082415.db2.gz	ISMZUOWRQCZGCL-UONOGXRCSA-N	1	0	365.503	1.396	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cncs3)n2)O1	ZINC001130759606	940086442	/nfs/dbraw/zinc/08/64/42/940086442.db2.gz	AUJRVXYGMJVEDT-NWDGAFQWSA-N	1	0	362.459	1.577	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CO[C@H](C)CC)n2)O1	ZINC001130775154	940092106	/nfs/dbraw/zinc/09/21/06/940092106.db2.gz	MLAKBIZKKPMFKM-QLFBSQMISA-N	1	0	365.478	1.622	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccncc3F)n2)O1	ZINC001130770198	940108269	/nfs/dbraw/zinc/10/82/69/940108269.db2.gz	XHYWGRCVAGGGMV-SMDDNHRTSA-N	1	0	360.393	1.265	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3[C@@H]4CCC[C@@H]43)n2)O1	ZINC001130769995	940108525	/nfs/dbraw/zinc/10/85/25/940108525.db2.gz	TUUQPVIRGLDYIJ-DEQQHWRFSA-N	1	0	357.458	1.300	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cnccc3C)n2)O1	ZINC001130772301	940111448	/nfs/dbraw/zinc/11/14/48/940111448.db2.gz	GYJFNRGNYRGFGQ-GOEBONIOSA-N	1	0	370.457	1.824	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[C@@H](C)OC)n2)O1	ZINC001130777269	940128670	/nfs/dbraw/zinc/12/86/70/940128670.db2.gz	ZRXNJGXHJYHGKH-QLFBSQMISA-N	1	0	363.462	1.069	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](O)C(C)C)n2)O1	ZINC001130778155	940130945	/nfs/dbraw/zinc/13/09/45/940130945.db2.gz	IUJUHXYTMJCUNQ-SQWLQELKSA-N	1	0	365.478	1.214	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H](C)SC)n2)O1	ZINC001130781144	940136194	/nfs/dbraw/zinc/13/61/94/940136194.db2.gz	QEHGJVVDLYGJTG-FRRDWIJNSA-N	1	0	351.476	1.005	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc[nH]c3CC)n2)O1	ZINC001130781240	940137013	/nfs/dbraw/zinc/13/70/13/940137013.db2.gz	UXNAROFHZNSZGC-XJKSGUPXSA-N	1	0	370.457	1.458	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](OC)C3CCC3)n2)O1	ZINC001130793812	940144211	/nfs/dbraw/zinc/14/42/11/940144211.db2.gz	BCWIDMZXPYKARQ-SQWLQELKSA-N	1	0	363.462	1.232	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C)c(C)cn3)n2)O1	ZINC001130794099	940145605	/nfs/dbraw/zinc/14/56/05/940145605.db2.gz	MHZLXMVFTZIBJD-GOEBONIOSA-N	1	0	368.441	1.189	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCC(F)F)n2)O1	ZINC001130792699	940171815	/nfs/dbraw/zinc/17/18/15/940171815.db2.gz	SKNYDGRRWASIGC-NWDGAFQWSA-N	1	0	355.389	1.299	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3CCC(F)CC3)n2)O1	ZINC001130804840	940176887	/nfs/dbraw/zinc/17/68/87/940176887.db2.gz	PNKHOAQFBWOHHZ-PFSRBDOWSA-N	1	0	365.453	1.945	20	30		FDEDRO
C=CCC(C)(C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C[C@H](C)O)O2)n[nH]1	ZINC001130809249	940186059	/nfs/dbraw/zinc/18/60/59/940186059.db2.gz	ODBCHBOBMGWDPJ-MELADBBJSA-N	1	0	365.478	1.214	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCOC)O2)n[nH]1	ZINC001130799313	940191069	/nfs/dbraw/zinc/19/10/69/940191069.db2.gz	ATXJRQAKZBIHCF-UONOGXRCSA-N	1	0	365.478	1.479	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3csc(C)n3)n2)O1	ZINC001130802544	940197710	/nfs/dbraw/zinc/19/77/10/940197710.db2.gz	ZSFSSIAGSNHNHL-WCQYABFASA-N	1	0	362.459	1.495	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H](CC)C(C)C)n2)O1	ZINC001130817233	940220826	/nfs/dbraw/zinc/22/08/26/940220826.db2.gz	HKOZYJGRPRJOTO-OWCLPIDISA-N	1	0	361.490	1.936	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)CCOC)n2)O1	ZINC001130817357	940222173	/nfs/dbraw/zinc/22/21/73/940222173.db2.gz	MSLBGZSANWDMBE-QLFBSQMISA-N	1	0	365.478	1.479	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2ccccc2)C[C@H]1c1cncn1C	ZINC001130893945	940289903	/nfs/dbraw/zinc/28/99/03/940289903.db2.gz	QEJYKZRGDOTBNY-QZTJIDSGSA-N	1	0	352.438	1.268	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cc(OC)ccn2)C1	ZINC001130930729	940340100	/nfs/dbraw/zinc/34/01/00/940340100.db2.gz	DGSBYYWXIADXEC-QZTJIDSGSA-N	1	0	369.469	1.874	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccc(OC)nc2)C1	ZINC001130931013	940340507	/nfs/dbraw/zinc/34/05/07/940340507.db2.gz	LRMUYFVVOOMSLV-IAGOWNOFSA-N	1	0	369.469	1.874	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cc(C)ncn2)C1	ZINC001130935640	940344479	/nfs/dbraw/zinc/34/44/79/940344479.db2.gz	DOMRAPKFSSRZGX-IAGOWNOFSA-N	1	0	354.458	1.569	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2nnn(C)c2C)C[C@H]1c1cncn1C	ZINC001130948269	940346618	/nfs/dbraw/zinc/34/66/18/940346618.db2.gz	CLXYZDOVKLQSQF-FVQBIDKESA-N	1	0	371.489	1.410	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2n[nH]c(C)c2C)C[C@H]1c1cncn1C	ZINC001130944097	940354235	/nfs/dbraw/zinc/35/42/35/940354235.db2.gz	VDCJWIXLVBJCHZ-HZPDHXFCSA-N	1	0	356.474	1.924	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(C)o2)C[C@H]1c1cncn1C	ZINC001130959003	940364490	/nfs/dbraw/zinc/36/44/90/940364490.db2.gz	BMXYIHJCHIHKFQ-QZTJIDSGSA-N	1	0	370.453	1.098	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)SC)C[C@H]1c1cncn1C	ZINC001130968498	940376376	/nfs/dbraw/zinc/37/63/76/940376376.db2.gz	AVHCZOVCCXMUOT-ARFHVFGLSA-N	1	0	366.531	1.648	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C2CCC(O)CC2)C[C@H]1c1cncn1C	ZINC001130972862	940383283	/nfs/dbraw/zinc/38/32/83/940383283.db2.gz	DCCBHOFYUGBZJA-OPQOLIRYSA-N	1	0	360.502	1.821	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)coc2C)C[C@H]1c1cncn1C	ZINC001130980160	940394306	/nfs/dbraw/zinc/39/43/06/940394306.db2.gz	FORGHJNSPKUSBE-IAGOWNOFSA-N	1	0	370.453	1.478	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccncc2C)C[C@H]1c1cncn1C	ZINC001130980142	940394325	/nfs/dbraw/zinc/39/43/25/940394325.db2.gz	FAQNTADAKFPIEF-QZTJIDSGSA-N	1	0	369.469	1.524	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C/C=C\Cl)C1	ZINC001130982668	940397328	/nfs/dbraw/zinc/39/73/28/940397328.db2.gz	ASGNGRCAQFPLOW-PPMQISPPSA-N	1	0	352.866	1.384	20	30		FDEDRO
C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCC(C)(C)CCC#N)CC1	ZINC000807515586	940402203	/nfs/dbraw/zinc/40/22/03/940402203.db2.gz	MZVLZOBFTHIROZ-UHFFFAOYSA-N	1	0	371.485	1.823	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1c1cncn1C	ZINC001130975657	940403650	/nfs/dbraw/zinc/40/36/50/940403650.db2.gz	KGXBRWZKYCBLOO-HZPDHXFCSA-N	1	0	371.489	1.493	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@@H](C)c2cnccn2)C1	ZINC001130978031	940409324	/nfs/dbraw/zinc/40/93/24/940409324.db2.gz	NPAVVTRZQXXKGG-LZLYRXPVSA-N	1	0	366.469	1.659	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC[C@@H](C)F)C1	ZINC001130988934	940411301	/nfs/dbraw/zinc/41/13/01/940411301.db2.gz	PZBCBBYFCPQMTH-BZUAXINKSA-N	1	0	350.438	1.092	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2nccnc2NC(=O)C(C)(C)C)CC1	ZINC000747405136	940413094	/nfs/dbraw/zinc/41/30/94/940413094.db2.gz	UYYHNKRKKIIYHK-UHFFFAOYSA-N	1	0	357.458	1.679	20	30		FDEDRO
Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2c2cncn2C)o1	ZINC001130991656	940414766	/nfs/dbraw/zinc/41/47/66/940414766.db2.gz	WEHQZJGOGHTZQE-IAGOWNOFSA-N	1	0	369.469	1.769	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cc(Cl)ccc2-n2cnnn2)CC1	ZINC000747404381	940415109	/nfs/dbraw/zinc/41/51/09/940415109.db2.gz	JJPILPYOVOZWLI-UHFFFAOYSA-N	1	0	358.833	1.533	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)c1	ZINC000807552836	940420492	/nfs/dbraw/zinc/42/04/92/940420492.db2.gz	ICJZPGOXBUHGAE-UHFFFAOYSA-N	1	0	358.417	1.447	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)CC1	ZINC000747403958	940426646	/nfs/dbraw/zinc/42/66/46/940426646.db2.gz	DFXRFOMNWDMWGP-UHFFFAOYSA-N	1	0	363.483	1.168	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2cc(C3CC3)no2)C[C@H]1c1cncn1C	ZINC001131007580	940433740	/nfs/dbraw/zinc/43/37/40/940433740.db2.gz	BCURNZMOGAJJFN-SJLPKXTDSA-N	1	0	369.469	1.988	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccnc(CCC)c2)C[C@H]1c1cncn1C	ZINC001131012887	940444838	/nfs/dbraw/zinc/44/48/38/940444838.db2.gz	QOKYVNCYJIIOIC-RTBURBONSA-N	1	0	365.481	1.989	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCn3nccc32)C[C@H]1c1cncn1C	ZINC001131019995	940452323	/nfs/dbraw/zinc/45/23/23/940452323.db2.gz	ILGIJHFVLMAQOG-BRWVUGGUSA-N	1	0	366.469	1.102	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)nc2)C[C@H]1c1cncn1C	ZINC001131022642	940455976	/nfs/dbraw/zinc/45/59/76/940455976.db2.gz	DTBHYNCUIJESEU-IAGOWNOFSA-N	1	0	366.469	1.102	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cn3cccnc3n2)C[C@H]1c1cncn1C	ZINC001131025870	940458959	/nfs/dbraw/zinc/45/89/59/940458959.db2.gz	HIFGBXSUQYHKKW-HUUCEWRRSA-N	1	0	365.441	1.237	20	30		FDEDRO
C[C@@H](CCNC(=O)C(=O)NCc1cc(C#N)ccc1F)[NH+]1CCCCC1	ZINC000807699225	940461450	/nfs/dbraw/zinc/46/14/50/940461450.db2.gz	LFJKDNLLFMSWIU-AWEZNQCLSA-N	1	0	360.433	1.694	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C[C@H]1c1cncn1C	ZINC001131033144	940470003	/nfs/dbraw/zinc/47/00/03/940470003.db2.gz	JVOJXCRVHAGELT-MTNOOBJLSA-N	1	0	358.486	1.695	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(=O)NC(C)C)C1	ZINC001131044127	940473059	/nfs/dbraw/zinc/47/30/59/940473059.db2.gz	PPZODUKKWVPVQH-HUUCEWRRSA-N	1	0	361.490	1.041	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnn(C)c2)C1	ZINC001131057267	940477636	/nfs/dbraw/zinc/47/76/36/940477636.db2.gz	AVARWKZLYJCNIN-KBAYOESNSA-N	1	0	370.501	1.840	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCC[C@@H](C)O)C2)C1	ZINC001131067250	940482629	/nfs/dbraw/zinc/48/26/29/940482629.db2.gz	VQSDIWKZIXUWPM-BRWVUGGUSA-N	1	0	360.502	1.821	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@@H](CC)C(N)=O)C1	ZINC001131082189	940488000	/nfs/dbraw/zinc/48/80/00/940488000.db2.gz	KRKQJFAFLSWTLO-QLFBSQMISA-N	1	0	361.490	1.170	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2csc(C)n2)C[C@H]1c1cncn1C	ZINC001131083801	940488942	/nfs/dbraw/zinc/48/89/42/940488942.db2.gz	BQNYGNJZQYONJC-IAGOWNOFSA-N	1	0	371.510	1.725	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCC2CCOCC2)C[C@H]1c1cncn1C	ZINC001131083855	940488978	/nfs/dbraw/zinc/48/89/78/940488978.db2.gz	FMUFZVBYVHQJGM-QZTJIDSGSA-N	1	0	358.486	1.534	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1c1cncn1C	ZINC001131079438	940492239	/nfs/dbraw/zinc/49/22/39/940492239.db2.gz	LLKVTPUSXKBVGG-DJIMGWMZSA-N	1	0	356.474	1.625	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)COc2cccnc2)C[C@H]1c1cncn1C	ZINC001131089488	940494778	/nfs/dbraw/zinc/49/47/78/940494778.db2.gz	JPZLLCVXZGRFJO-QZTJIDSGSA-N	1	0	369.469	1.744	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cnon2)C[C@H]1c1cncn1C	ZINC001131091658	940495730	/nfs/dbraw/zinc/49/57/30/940495730.db2.gz	OCLPZAMODMBNCZ-GDBMZVCRSA-N	1	0	358.446	1.747	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CCC(C)(C)C)C[C@H]1c1cncn1C	ZINC001131091904	940495930	/nfs/dbraw/zinc/49/59/30/940495930.db2.gz	WCHADVLCQBVRJY-IAGOWNOFSA-N	1	0	360.502	1.780	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(OC)n2)C[C@H]1c1cncn1C	ZINC001131099863	940499563	/nfs/dbraw/zinc/49/95/63/940499563.db2.gz	YCWNIHMHIRJQTR-GDBMZVCRSA-N	1	0	353.426	1.045	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2CC3(C2)CCOCC3)C[C@H]1c1cncn1C	ZINC001131105589	940501440	/nfs/dbraw/zinc/50/14/40/940501440.db2.gz	BGEHHYINHWMQPZ-QZTJIDSGSA-N	1	0	370.497	1.534	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn(C(C)C)c2)C[C@H]1c1cncn1C	ZINC001131108483	940502864	/nfs/dbraw/zinc/50/28/64/940502864.db2.gz	SWDCTTZNBGWAFA-IAGOWNOFSA-N	1	0	354.458	1.419	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]cnc2C)C[C@H]1c1cncn1C	ZINC001131117735	940504352	/nfs/dbraw/zinc/50/43/52/940504352.db2.gz	PCCVJLOHNSQAGF-QGPMSJSTSA-N	1	0	370.501	1.933	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2(CCOC)CCC2)C[C@H]1c1cncn1C	ZINC001131117917	940504830	/nfs/dbraw/zinc/50/48/30/940504830.db2.gz	YZONOWNSCFNWIJ-IAGOWNOFSA-N	1	0	358.486	1.534	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COc2ccc(C)cc2)C[C@H]1c1cncn1C	ZINC001131119734	940505572	/nfs/dbraw/zinc/50/55/72/940505572.db2.gz	SSZRGSDWLYZDPI-RTBURBONSA-N	1	0	366.465	1.715	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2ccnc2C)C[C@H]1c1cncn1C	ZINC001131121079	940506380	/nfs/dbraw/zinc/50/63/80/940506380.db2.gz	LXKSJRHJMHWUJH-CGTJXYLNSA-N	1	0	370.501	1.864	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnc(CC)s2)C[C@H]1c1cncn1C	ZINC001131132220	940512476	/nfs/dbraw/zinc/51/24/76/940512476.db2.gz	DHXVHWQQNOQERI-ZIAGYGMSSA-N	1	0	357.483	1.660	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2COc3ccccc32)C[C@H]1c1cncn1C	ZINC001131136566	940513618	/nfs/dbraw/zinc/51/36/18/940513618.db2.gz	UANRCOWLOYQMHE-KZNAEPCWSA-N	1	0	364.449	1.504	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)cc1	ZINC000808139534	940521562	/nfs/dbraw/zinc/52/15/62/940521562.db2.gz	HREVKNKYONSWGQ-SFHVURJKSA-N	1	0	355.438	1.124	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCSC)C1	ZINC001131301161	940546974	/nfs/dbraw/zinc/54/69/74/940546974.db2.gz	NFKVUNUFRUFHLD-ZNMIVQPWSA-N	1	0	353.488	1.422	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CC4CC4)C[C@H]32)C1	ZINC001131323277	940551913	/nfs/dbraw/zinc/55/19/13/940551913.db2.gz	WSEPEAKEYSMDKN-BBWFWOEESA-N	1	0	363.458	1.095	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCCF)C1	ZINC001131313579	940553248	/nfs/dbraw/zinc/55/32/48/940553248.db2.gz	WXUBYPVIEFXNDH-XHSDSOJGSA-N	1	0	353.438	1.808	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](CCO)c2cccs2)nc1	ZINC000808745720	940599913	/nfs/dbraw/zinc/59/99/13/940599913.db2.gz	CSWKMGGJKIJGON-CYBMUJFWSA-N	1	0	351.453	1.502	20	30		FDEDRO
C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2conc2C)CC1	ZINC001131453991	940607683	/nfs/dbraw/zinc/60/76/83/940607683.db2.gz	HVJNRNZWCJOFRJ-MJGOQNOKSA-N	1	0	363.458	1.671	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)CCC)CC1	ZINC001131456452	940610372	/nfs/dbraw/zinc/61/03/72/940610372.db2.gz	QNLRJRSKHLKUIT-APWZRJJASA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)CC)CC1	ZINC001131456437	940610455	/nfs/dbraw/zinc/61/04/55/940610455.db2.gz	PSWSETGYNUEBOM-MDYRTPRTSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCOC2)CC1	ZINC001131461129	940615637	/nfs/dbraw/zinc/61/56/37/940615637.db2.gz	FYADNLRXZXJWRP-QRVBRYPASA-N	1	0	366.502	1.601	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCCO2)CC1	ZINC001131476169	940619169	/nfs/dbraw/zinc/61/91/69/940619169.db2.gz	USPJVHMEZYVJKE-QYZOEREBSA-N	1	0	364.486	1.191	20	30		FDEDRO
CO[C@H](C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1	ZINC001131464290	940621633	/nfs/dbraw/zinc/62/16/33/940621633.db2.gz	LKDFJFUBGPWRHU-QBIMZIAESA-N	1	0	360.458	1.521	20	30		FDEDRO
CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1	ZINC001131464288	940621749	/nfs/dbraw/zinc/62/17/49/940621749.db2.gz	LGNHMECJFNSYQT-AEFFLSMTSA-N	1	0	360.458	1.522	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NCC1CC[NH+](CCC(C)C)CC1)[C@H]1CCCO1	ZINC000808837796	940634242	/nfs/dbraw/zinc/63/42/42/940634242.db2.gz	CFKMBMSSDKDNFJ-ZWKOTPCHSA-N	1	0	363.502	1.158	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2nnc(C)o2)CC1	ZINC001131491137	940641479	/nfs/dbraw/zinc/64/14/79/940641479.db2.gz	SAZCPUKZCQIAOO-APWZRJJASA-N	1	0	362.474	1.872	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCNC(=O)NC)CC1	ZINC001131491127	940641501	/nfs/dbraw/zinc/64/15/01/940641501.db2.gz	RQABRSDLIAGIMB-AEFFLSMTSA-N	1	0	366.506	1.257	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c(Cl)cnn2C)CC1	ZINC001131495702	940646704	/nfs/dbraw/zinc/64/67/04/940646704.db2.gz	AZWJZFOEVQZIGM-WBVHZDCISA-N	1	0	364.877	1.696	20	30		FDEDRO
C#CCOCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOC(C)C)CC1	ZINC001131498518	940648504	/nfs/dbraw/zinc/64/85/04/940648504.db2.gz	CNEQMRKYCMESDT-QUCCMNQESA-N	1	0	366.502	1.437	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCOC)CC1	ZINC001131502685	940653233	/nfs/dbraw/zinc/65/32/33/940653233.db2.gz	KTHXLISSOKQUID-JQHSSLGASA-N	1	0	352.475	1.047	20	30		FDEDRO
CCOC(=O)COc1cc(Cl)c(N[C@@H](C)[C@H]2C[NH2+]CCO2)nc1C#N	ZINC001170565230	940680340	/nfs/dbraw/zinc/68/03/40/940680340.db2.gz	ULJNIZUDTLCVEX-IINYFYTJSA-N	1	0	368.821	1.337	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(Cl)n(C)n2)CC1	ZINC001131527832	940696963	/nfs/dbraw/zinc/69/69/63/940696963.db2.gz	AKWFEJCPARNZAM-PBHICJAKSA-N	1	0	364.877	1.696	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccn3ccnc3c2)CC1	ZINC001131528237	940697927	/nfs/dbraw/zinc/69/79/27/940697927.db2.gz	MPRRJXLLIYQFPN-QUCCMNQESA-N	1	0	366.465	1.957	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)CC(N)=O)CC1	ZINC001131541273	940715379	/nfs/dbraw/zinc/71/53/79/940715379.db2.gz	GOPVHULTQYOEFS-XFJVYGCCSA-N	1	0	357.882	1.236	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCCO)CC2)cc1	ZINC001131543728	940719557	/nfs/dbraw/zinc/71/95/57/940719557.db2.gz	QJUMMLUKILABRP-UXHICEINSA-N	1	0	356.466	1.650	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(CC)nnc2C)CC1	ZINC001131535476	940724924	/nfs/dbraw/zinc/72/49/24/940724924.db2.gz	FKCCNQWWXDFKGK-UXHICEINSA-N	1	0	370.497	1.970	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(OC)ccn2)CC1	ZINC001131538037	940725934	/nfs/dbraw/zinc/72/59/34/940725934.db2.gz	DVVLZYYTTQXEPH-MJGOQNOKSA-N	1	0	357.454	1.713	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H]2CCC(=O)N2C)CC1	ZINC001131538934	940726676	/nfs/dbraw/zinc/72/66/76/940726676.db2.gz	YOERNHJAXJPICB-QKLQHJQFSA-N	1	0	361.486	1.006	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(C(F)F)n[nH]2)CC1	ZINC001131562482	940736360	/nfs/dbraw/zinc/73/63/60/940736360.db2.gz	UZROJNUNBZHIAH-CJNGLKHVSA-N	1	0	366.412	1.970	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2ccc(=O)[nH]c2)CC1	ZINC001131550192	940738655	/nfs/dbraw/zinc/73/86/55/940738655.db2.gz	NRYVHEOCLDQGQT-NQIIRXRSSA-N	1	0	371.481	1.729	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCCC(=O)N2)CC1	ZINC001131564147	940740053	/nfs/dbraw/zinc/74/00/53/940740053.db2.gz	DFOUMQLWRRPIKR-LMMKCTJWSA-N	1	0	361.486	1.054	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn(CC)nc2C)CC1	ZINC001131573027	940748913	/nfs/dbraw/zinc/74/89/13/940748913.db2.gz	RMRUZXXFBINBEJ-MOPGFXCFSA-N	1	0	358.486	1.834	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(C)nc(C)n2)CC1	ZINC001131577682	940754763	/nfs/dbraw/zinc/75/47/63/940754763.db2.gz	BFEKKRDZTFARHH-MJGOQNOKSA-N	1	0	356.470	1.716	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)CNC(C)=O)CC1	ZINC001131577935	940755282	/nfs/dbraw/zinc/75/52/82/940755282.db2.gz	IXTYWSDNAJOOOX-MSOLQXFVSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)OCCOC)CC1	ZINC001131578381	940755653	/nfs/dbraw/zinc/75/56/53/940755653.db2.gz	UTKYTKLSWJDFSJ-QRQLOZEOSA-N	1	0	368.518	1.990	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn(CC=C)nn2)CC1	ZINC001131578368	940755671	/nfs/dbraw/zinc/75/56/71/940755671.db2.gz	TWUOVEFNQVLVHK-AEFFLSMTSA-N	1	0	359.474	1.640	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2nc3ncccn3n2)CC1	ZINC001131580582	940766741	/nfs/dbraw/zinc/76/67/41/940766741.db2.gz	YODXDPSTOHTCEJ-CVEARBPZSA-N	1	0	370.457	1.300	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccnc(C)c2)CC1	ZINC001131580459	940766755	/nfs/dbraw/zinc/76/67/55/940766755.db2.gz	RUGMVORBCFYCBK-UXHICEINSA-N	1	0	371.481	1.639	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)[C@@H](C)CC)CC1	ZINC001131605003	940774756	/nfs/dbraw/zinc/77/47/56/940774756.db2.gz	RZBPRKXVJYCBRH-WDYCEAGBSA-N	1	0	363.502	1.158	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C(C)=O)CC1	ZINC001131594728	940776895	/nfs/dbraw/zinc/77/68/95/940776895.db2.gz	BFVGEEBJAGGUKK-QYZOEREBSA-N	1	0	361.486	1.006	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)c2cnc[nH]2)CC1	ZINC001131594736	940776954	/nfs/dbraw/zinc/77/69/54/940776954.db2.gz	BLJIOODZASUBLR-AEFFLSMTSA-N	1	0	358.486	1.696	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCC(=O)NCCC)CC1	ZINC001131595492	940778431	/nfs/dbraw/zinc/77/84/31/940778431.db2.gz	ZYJREBJXSIGFOW-XLIONFOSSA-N	1	0	365.518	1.855	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCN(C)C(C)=O)CC1	ZINC001131599708	940783026	/nfs/dbraw/zinc/78/30/26/940783026.db2.gz	IDLDUOLUALWNPA-QUCCMNQESA-N	1	0	363.502	1.254	20	30		FDEDRO
C=CCCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H](C)OC)CC1	ZINC001131610267	940789870	/nfs/dbraw/zinc/78/98/70/940789870.db2.gz	JBHYQMAPQWKKAH-SUMDDJOVSA-N	1	0	354.491	1.600	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCC(N)=O)CC1	ZINC001131612373	940791913	/nfs/dbraw/zinc/79/19/13/940791913.db2.gz	IYJPCILSEZOZEV-MDYRTPRTSA-N	1	0	365.518	1.982	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CCCO1	ZINC000809304386	940809160	/nfs/dbraw/zinc/80/91/60/940809160.db2.gz	JCERETWDYPUJCN-MSOLQXFVSA-N	1	0	361.486	1.008	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2c3c(cccc3C(=O)OC)NC(=O)[C@H]2C)CC1	ZINC000809323112	940819744	/nfs/dbraw/zinc/81/97/44/940819744.db2.gz	WIJMWOKDFKUNSR-CYBMUJFWSA-N	1	0	369.421	1.492	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H](C2CC[NH+](CC(=O)NCCC#N)CC2)C1	ZINC000810086049	940948559	/nfs/dbraw/zinc/94/85/59/940948559.db2.gz	MBZJPXBAPPQCPY-INIZCTEOSA-N	1	0	364.490	1.985	20	30		FDEDRO
COc1ccc(N2CCN(CC[NH2+]Cc3nc(C#N)cs3)CC2)cc1	ZINC000810137229	940958518	/nfs/dbraw/zinc/95/85/18/940958518.db2.gz	QMYFUTNMIJRRAU-UHFFFAOYSA-N	1	0	357.483	1.935	20	30		FDEDRO
Cn1oc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)cc1=O	ZINC001086683203	941061897	/nfs/dbraw/zinc/06/18/97/941061897.db2.gz	CNBGBUMVHLBIDW-JKSUJKDBSA-N	1	0	354.410	1.538	20	30		FDEDRO
CCn1ncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3F)C2)n1	ZINC001086690598	941099919	/nfs/dbraw/zinc/09/99/19/941099919.db2.gz	SOLUFGITKWEPAG-GOEBONIOSA-N	1	0	370.432	1.997	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ncc[nH]2)C1	ZINC001086691473	941110733	/nfs/dbraw/zinc/11/07/33/941110733.db2.gz	MQELFMBIFLPPAE-GOEBONIOSA-N	1	0	353.426	1.978	20	30		FDEDRO
C[N@H+](CCC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O)C1CCCCC1	ZINC001090505257	941131464	/nfs/dbraw/zinc/13/14/64/941131464.db2.gz	NQNNEMVNBNYFFR-QZTJIDSGSA-N	1	0	371.485	1.274	20	30		FDEDRO
C=CCNC(=S)C(C(=O)c1cccc(OC)n1)[n+]1ccc(N(C)C)cc1	ZINC000811722564	941155064	/nfs/dbraw/zinc/15/50/64/941155064.db2.gz	MZXSPBFEBOQQQE-UHFFFAOYSA-O	1	0	371.486	1.910	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@@H](CC)C(=O)Nc2ccc(OC)cc2)CC1	ZINC000747820426	941275071	/nfs/dbraw/zinc/27/50/71/941275071.db2.gz	VNYDGRXQBLTOTA-SFHVURJKSA-N	1	0	357.454	1.874	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(=O)N[C@H](C)c2ccc(Cl)cc2)CC1	ZINC000747820448	941275093	/nfs/dbraw/zinc/27/50/93/941275093.db2.gz	WYNGMBZNFHTNCT-CQSZACIVSA-N	1	0	361.873	1.979	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(=O)N(C)Cc2ccccc2OC)CC1	ZINC000747825666	941292974	/nfs/dbraw/zinc/29/29/74/941292974.db2.gz	ZYMXOGDGWDARMN-UHFFFAOYSA-N	1	0	357.454	1.115	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)c1	ZINC000813025904	941309649	/nfs/dbraw/zinc/30/96/49/941309649.db2.gz	DVPKLBAISJRCIP-IBGZPJMESA-N	1	0	363.417	1.812	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C	ZINC000747842306	941348927	/nfs/dbraw/zinc/34/89/27/941348927.db2.gz	CDNRUOWBWWFLGC-ZDUSSCGKSA-N	1	0	370.494	1.869	20	30		FDEDRO
C[C@H]1CN(C(=O)NCCNc2ncccc2C#N)CC[N@@H+](C2CCC2)C1	ZINC000813601776	941418187	/nfs/dbraw/zinc/41/81/87/941418187.db2.gz	CHAWOQJJZUZIEY-OAHLLOKOSA-N	1	0	356.474	1.881	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H]1CCCN(c2ccc(C)cc2)C1=O	ZINC001134054384	941531151	/nfs/dbraw/zinc/53/11/51/941531151.db2.gz	HSWWZPCKIHCDHY-QYZOEREBSA-N	1	0	371.481	1.787	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)Nc1cc(F)ccc1F	ZINC001134061853	941540446	/nfs/dbraw/zinc/54/04/46/941540446.db2.gz	GPPRARCWUZRYGY-KFNAQCHYSA-N	1	0	367.396	1.589	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(Cc1ccccc1)C1CC1	ZINC001134062360	941541229	/nfs/dbraw/zinc/54/12/29/941541229.db2.gz	XZLDHVJXVTZQCQ-MOPGFXCFSA-N	1	0	371.481	1.475	20	30		FDEDRO
C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)c3cc(C#N)ccn3)c2)CC1	ZINC001134199749	941601860	/nfs/dbraw/zinc/60/18/60/941601860.db2.gz	AMTPMLYXBZGBNM-UHFFFAOYSA-N	1	0	366.381	1.866	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1cnn(-c2ccccc2F)c1	ZINC000815082635	941777292	/nfs/dbraw/zinc/77/72/92/941777292.db2.gz	CETNCWQJJXUMFE-UHFFFAOYSA-N	1	0	350.419	1.245	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl	ZINC000815083402	941778354	/nfs/dbraw/zinc/77/83/54/941778354.db2.gz	WPTVXMDZGGZZRZ-UHFFFAOYSA-N	1	0	359.835	1.790	20	30		FDEDRO
C#CCNC(=O)CC[NH+]1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000815104293	941784626	/nfs/dbraw/zinc/78/46/26/941784626.db2.gz	GWJZFTVUNZCEPR-UHFFFAOYSA-N	1	0	357.454	1.764	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+]C2(Cc3cccc(F)c3)CCOCC2)CC1	ZINC000815151825	941786732	/nfs/dbraw/zinc/78/67/32/941786732.db2.gz	KSSXBQNYLWBXAE-UHFFFAOYSA-N	1	0	373.472	1.284	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCN(C(C)(C)C)C1=O	ZINC001135065062	941881602	/nfs/dbraw/zinc/88/16/02/941881602.db2.gz	UBFYZVXWIQKVAK-XHSDSOJGSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC1CCCCC1	ZINC001135145720	941929539	/nfs/dbraw/zinc/92/95/39/941929539.db2.gz	QPXOEQBWYWANKH-XIRDDKMYSA-N	1	0	351.491	1.511	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)COCc1cccs1	ZINC001135145694	941929769	/nfs/dbraw/zinc/92/97/69/941929769.db2.gz	PSVRYPOKQWPWFD-XIRDDKMYSA-N	1	0	368.499	1.313	20	30		FDEDRO
N#Cc1cc(C[NH2+]CCNC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)ccc1F	ZINC001135139052	941934543	/nfs/dbraw/zinc/93/45/43/941934543.db2.gz	XKXCGUYZVFTQCD-CRAIPNDOSA-N	1	0	371.416	1.205	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccc(C)cc1C	ZINC001135147883	941935024	/nfs/dbraw/zinc/93/50/24/941935024.db2.gz	RPALYLWYRLHEGT-LPHOPBHVSA-N	1	0	359.470	1.929	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(C(=O)NC(C)C)cc1C	ZINC000815861317	941997502	/nfs/dbraw/zinc/99/75/02/941997502.db2.gz	CBZDOPCAOZOETM-UHFFFAOYSA-N	1	0	372.469	1.143	20	30		FDEDRO
C=CCOc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCC3)C2)cc1	ZINC001086736023	942105328	/nfs/dbraw/zinc/10/53/28/942105328.db2.gz	YQTKWCOARHRNAD-FUHWJXTLSA-N	1	0	371.481	1.972	20	30		FDEDRO
Cn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)ccc1=O	ZINC001086742715	942206725	/nfs/dbraw/zinc/20/67/25/942206725.db2.gz	CURCUQKMMCZIHY-PKOBYXMFSA-N	1	0	364.449	1.945	20	30		FDEDRO
Cn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)ccc1=O	ZINC001086743302	942210608	/nfs/dbraw/zinc/21/06/08/942210608.db2.gz	IHZFNBSRLWMNMG-HNAYVOBHSA-N	1	0	364.449	1.945	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)N1CCCC1	ZINC001170841079	942321873	/nfs/dbraw/zinc/32/18/73/942321873.db2.gz	GGKOOSJTCFIEIZ-KSZLIROESA-N	1	0	365.518	1.855	20	30		FDEDRO
N#CCOc1ccc(CC(=O)NCC(=O)NCC[NH+]2CCCCCC2)cc1	ZINC000816745945	942331093	/nfs/dbraw/zinc/33/10/93/942331093.db2.gz	AGRAOHIPYQPBDN-UHFFFAOYSA-N	1	0	372.469	1.240	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N[C@H](CC(=O)OC)c1ccc(OC)c(OC)c1	ZINC001135748985	942392383	/nfs/dbraw/zinc/39/23/83/942392383.db2.gz	AICMRYOSKSBDIZ-OAHLLOKOSA-N	1	0	364.442	1.932	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H]3CCCN(C)C3=O)C2)cc1	ZINC001086773851	942462402	/nfs/dbraw/zinc/46/24/02/942462402.db2.gz	JLDJKHKNTHHFFY-UHOSZYNNSA-N	1	0	353.466	1.777	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCS(C)(=O)=O	ZINC001170853031	942480566	/nfs/dbraw/zinc/48/05/66/942480566.db2.gz	LPCKHBWYNFSQDW-OAGGEKHMSA-N	1	0	360.520	1.277	20	30		FDEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)c1cc(C)cc(C#N)c1)CC2	ZINC001195411791	970915228	/nfs/dbraw/zinc/91/52/28/970915228.db2.gz	PQAICKPVWWCLFN-UHFFFAOYSA-N	1	0	354.454	1.683	20	30		FDEDRO
C#C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)C1CCOCC1	ZINC000856109390	970915421	/nfs/dbraw/zinc/91/54/21/970915421.db2.gz	PWCKXQHDIJLMHS-HXUWFJFHSA-N	1	0	355.482	1.743	20	30		FDEDRO
C#C[C@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)C1CCOCC1	ZINC000856109388	970915679	/nfs/dbraw/zinc/91/56/79/970915679.db2.gz	PWCKXQHDIJLMHS-FQEVSTJZSA-N	1	0	355.482	1.743	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@@H+]2C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C2)CC1	ZINC000817289370	942660336	/nfs/dbraw/zinc/66/03/36/942660336.db2.gz	XXJUMQADTZJWFZ-SJORKVTESA-N	1	0	363.502	1.064	20	30		FDEDRO
C[C@H](C[NH3+])C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1	ZINC000818501106	943257556	/nfs/dbraw/zinc/25/75/56/943257556.db2.gz	UFAFDXLAZVNFER-MMOSJZJFSA-N	1	0	366.487	1.813	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1	ZINC000818588976	943297285	/nfs/dbraw/zinc/29/72/85/943297285.db2.gz	LLCXSNOFMCQGDU-ROUUACIJSA-N	1	0	357.498	1.981	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1	ZINC000818589128	943297827	/nfs/dbraw/zinc/29/78/27/943297827.db2.gz	RUWJQVNTUCGJFM-KSZLIROESA-N	1	0	355.486	1.685	20	30		FDEDRO
C#CC[C@@H](Cc1ccccc1)NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1	ZINC000818652718	943317726	/nfs/dbraw/zinc/31/77/26/943317726.db2.gz	FBKAMVJMMLVGHW-GBESFXJTSA-N	1	0	351.454	1.491	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H]3CCNC3=O)C2)cc1	ZINC001086822097	943324253	/nfs/dbraw/zinc/32/42/53/943324253.db2.gz	PQQFHKBIJNMUBB-LESCRADOSA-N	1	0	355.438	1.075	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CO[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000818603144	943328831	/nfs/dbraw/zinc/32/88/31/943328831.db2.gz	PLXCAKXNCLBORB-MRXNPFEDSA-N	1	0	367.490	1.474	20	30		FDEDRO
CS(=O)(=O)NC1(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)CCCCC1	ZINC000818946276	943357292	/nfs/dbraw/zinc/35/72/92/943357292.db2.gz	IUEJOAWBZWRKHD-MRXNPFEDSA-N	1	0	351.472	1.433	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(CO)cc3)C2)nn1	ZINC001086823732	943369191	/nfs/dbraw/zinc/36/91/91/943369191.db2.gz	SLTWPQRVVMABFB-ZWKOTPCHSA-N	1	0	369.469	1.645	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000818994620	943375950	/nfs/dbraw/zinc/37/59/50/943375950.db2.gz	HVAQXIKIEGCRFP-GVDBMIGSSA-N	1	0	368.522	1.818	20	30		FDEDRO
N#CCOc1ccc(C[NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)cc1	ZINC000819010575	943383356	/nfs/dbraw/zinc/38/33/56/943383356.db2.gz	DPAKDKDJRJUGIM-HNNXBMFYSA-N	1	0	365.389	1.336	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnccc3C)C2)nn1	ZINC001086823186	943384576	/nfs/dbraw/zinc/38/45/76/943384576.db2.gz	QRIZOZRQZDBGBN-DOTOQJQBSA-N	1	0	354.458	1.856	20	30		FDEDRO
O=C(NCC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1)C1N=CC=CC1=O	ZINC000819052321	943396359	/nfs/dbraw/zinc/39/63/59/943396359.db2.gz	CLQCWNKQPFBGME-PHODEOQFSA-N	1	0	365.817	1.196	20	30		FDEDRO
C=C[C@H]1C[C@@]1(Nc1ncccc1C(=O)NCCC[NH+](C)C)C(=O)OCC	ZINC001170922177	943412618	/nfs/dbraw/zinc/41/26/18/943412618.db2.gz	FOINSVZBQFOPOV-LIRRHRJNSA-N	1	0	360.458	1.683	20	30		FDEDRO
C=CC[C@H]([NH2+]C[C@H](O)CN1C(=O)c2ccccc2C1=O)c1ccncc1	ZINC000819074931	943430602	/nfs/dbraw/zinc/43/06/02/943430602.db2.gz	WOFUCPFPZWMMGY-YJBOKZPZSA-N	1	0	351.406	1.946	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+]C2CN(C(=O)OC)C2)c(OC)c1	ZINC000819178068	943462416	/nfs/dbraw/zinc/46/24/16/943462416.db2.gz	OQLRBELUXONBME-HNNXBMFYSA-N	1	0	350.415	1.204	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000819196381	943471263	/nfs/dbraw/zinc/47/12/63/943471263.db2.gz	AZVGUVFONCTVQN-INIZCTEOSA-N	1	0	361.442	1.754	20	30		FDEDRO
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]C[C@@H](O)CN(C)CCC#N	ZINC000819247283	943482427	/nfs/dbraw/zinc/48/24/27/943482427.db2.gz	KURHYYNHKGABOX-OAGGEKHMSA-N	1	0	354.495	1.428	20	30		FDEDRO
CN(C)S(=O)(=O)c1cccc(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)c1	ZINC000819218051	943492184	/nfs/dbraw/zinc/49/21/84/943492184.db2.gz	BZOSIVVMUAJTOW-SFHVURJKSA-N	1	0	359.451	1.632	20	30		FDEDRO
CCS(=O)(=O)N1CCC(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1	ZINC000819226484	943497975	/nfs/dbraw/zinc/49/79/75/943497975.db2.gz	RGXVWZGVTLQCJZ-QGZVFWFLSA-N	1	0	351.472	1.243	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1	ZINC000819234388	943501588	/nfs/dbraw/zinc/50/15/88/943501588.db2.gz	YKKVQJGWXJKDMX-CQSZACIVSA-N	1	0	367.371	1.535	20	30		FDEDRO
C#CC[C@@H](Cc1ccccc1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000819304870	943510606	/nfs/dbraw/zinc/51/06/06/943510606.db2.gz	JYOJUSYZPXMQBR-SFHVURJKSA-N	1	0	353.447	1.951	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2	ZINC000819327057	943527938	/nfs/dbraw/zinc/52/79/38/943527938.db2.gz	ZLPSDUBJZYLWPI-JKSUJKDBSA-N	1	0	366.506	1.572	20	30		FDEDRO
C[NH+]1CCC(O)(CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1	ZINC000819337252	943531777	/nfs/dbraw/zinc/53/17/77/943531777.db2.gz	OPCXQXABIUUGBF-CQSZACIVSA-N	1	0	368.478	1.146	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1	ZINC000819358497	943541219	/nfs/dbraw/zinc/54/12/19/943541219.db2.gz	JGVZKPTVRPHAGY-HNNXBMFYSA-N	1	0	368.428	1.097	20	30		FDEDRO
COc1ccc(N2CC[NH+](C[C@@H](O)CNCC3(C#N)CCC3)CC2)cc1	ZINC000819378294	943564268	/nfs/dbraw/zinc/56/42/68/943564268.db2.gz	YYHRQCZHYZMNPK-SFHVURJKSA-N	1	0	358.486	1.462	20	30		FDEDRO
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC000856253329	971009983	/nfs/dbraw/zinc/00/99/83/971009983.db2.gz	KELGWFQHMLQZEQ-KXBFYZLASA-N	1	0	365.474	1.306	20	30		FDEDRO
COc1cc(C#N)ccc1C(=O)NCC(=O)NCC[NH+]1CCCCCC1	ZINC000820441012	944042977	/nfs/dbraw/zinc/04/29/77/944042977.db2.gz	HMGBBNIOHWUMQS-UHFFFAOYSA-N	1	0	358.442	1.289	20	30		FDEDRO
C#C[C@H](NC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccc(F)cc1	ZINC000820495084	944072276	/nfs/dbraw/zinc/07/22/76/944072276.db2.gz	MSYIBFSQFXESRV-MOPGFXCFSA-N	1	0	358.461	1.921	20	30		FDEDRO
COc1ccc(N2CC[NH+](CCCNc3ccnc(C#N)n3)CC2)cc1	ZINC000820610719	944117460	/nfs/dbraw/zinc/11/74/60/944117460.db2.gz	PXPFJQJHIVJLSY-UHFFFAOYSA-N	1	0	352.442	1.403	20	30		FDEDRO
C#CCCN(CCOC)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1	ZINC000821231528	944391272	/nfs/dbraw/zinc/39/12/72/944391272.db2.gz	KBYUWJSXEGIDNA-UHFFFAOYSA-N	1	0	358.486	1.975	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)s1	ZINC000821528046	944540795	/nfs/dbraw/zinc/54/07/95/944540795.db2.gz	PMFRRHUOTMWVFE-STQMWFEESA-N	1	0	371.528	1.306	20	30		FDEDRO
COC(=O)c1ccc(C(=N)Nc2cncc(N3CCC([NH3+])CC3)n2)cc1	ZINC001170987744	945022804	/nfs/dbraw/zinc/02/28/04/945022804.db2.gz	FRXMATCSZXJRNT-UHFFFAOYSA-N	1	0	354.414	1.228	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CC[N@H+](CCOC)[C@H](CCC)C1)C1CCOCC1	ZINC000823172595	945516445	/nfs/dbraw/zinc/51/64/45/945516445.db2.gz	IIDYIYJIIOCUMO-QZTJIDSGSA-N	1	0	351.491	1.557	20	30		FDEDRO
C#C[C@H](NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)C1CCOCC1	ZINC000823174227	945518645	/nfs/dbraw/zinc/51/86/45/945518645.db2.gz	YYXKGYLYBZYLBJ-NEWSRXKRSA-N	1	0	362.518	1.082	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccncc1	ZINC000805816203	945533592	/nfs/dbraw/zinc/53/35/92/945533592.db2.gz	VRZDGFZJVJKUAI-FGTMMUONSA-N	1	0	356.470	1.758	20	30		FDEDRO
O=C(N[C@@H]1CCCN(O)C1=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2	ZINC000823160647	945542728	/nfs/dbraw/zinc/54/27/28/945542728.db2.gz	JCEOYIQYUHYBDY-SQGPQFPESA-N	1	0	373.453	1.022	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)CCC[NH+]1CCCCC1	ZINC001090718677	945961046	/nfs/dbraw/zinc/96/10/46/945961046.db2.gz	NTCXOTKGAKZFNT-NVXWUHKLSA-N	1	0	356.474	1.555	20	30		FDEDRO
Cc1cc(N2C[C@@H](C)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)c(C#N)cn1	ZINC001090754232	946271012	/nfs/dbraw/zinc/27/10/12/946271012.db2.gz	MGEZGOJYIBOSMM-RDTXWAMCSA-N	1	0	371.485	1.313	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)s1	ZINC000824289981	946318613	/nfs/dbraw/zinc/31/86/13/946318613.db2.gz	FVVHUQWFNUDBRW-BETUJISGSA-N	1	0	371.528	1.211	20	30		FDEDRO
C#CCCS(=O)(=O)N1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1	ZINC000856543785	971222973	/nfs/dbraw/zinc/22/29/73/971222973.db2.gz	WPMKMJMRAQYJFT-KRWDZBQOSA-N	1	0	351.472	1.340	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CN(c2cc(C)ncc2C#N)C[C@H]1C	ZINC001090777583	946537274	/nfs/dbraw/zinc/53/72/74/946537274.db2.gz	CEDVDWAOZORDJY-XOKHGSTOSA-N	1	0	361.465	1.883	20	30		FDEDRO
C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1	ZINC000824632142	946609643	/nfs/dbraw/zinc/60/96/43/946609643.db2.gz	ZYTCYPVFHGDYRI-LSDHHAIUSA-N	1	0	355.442	1.185	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NCC[NH+]1CC=CC1	ZINC001136909383	946636922	/nfs/dbraw/zinc/63/69/22/946636922.db2.gz	QFPAYPBKQSAUPL-OAHLLOKOSA-N	1	0	350.463	1.952	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1	ZINC001090788094	946689181	/nfs/dbraw/zinc/68/91/81/946689181.db2.gz	IDJJKDVBOGYBOF-RHSMWYFYSA-N	1	0	365.441	1.211	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@@H]([C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573284640	946752085	/nfs/dbraw/zinc/75/20/85/946752085.db2.gz	IHMFXBHUWMPEGT-ZIAGYGMSSA-N	1	0	353.430	1.136	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)nn3cccnc13)C2	ZINC001110108691	946903333	/nfs/dbraw/zinc/90/33/33/946903333.db2.gz	FLSKFTKKWJCFOP-PMPSAXMXSA-N	1	0	355.442	1.575	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H](C)CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573291457	946920226	/nfs/dbraw/zinc/92/02/26/946920226.db2.gz	DKWBMUIHPAFGIB-VIFPVBQESA-N	1	0	368.239	1.201	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)NC[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1)OCC	ZINC001573293179	946950769	/nfs/dbraw/zinc/95/07/69/946950769.db2.gz	NUEBVZGYMAWRHJ-CZUORRHYSA-N	1	0	373.461	1.280	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)CCC[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1	ZINC001573560465	946953497	/nfs/dbraw/zinc/95/34/97/946953497.db2.gz	CSVHKKFSSCAVGQ-LBPRGKRZSA-N	1	0	359.409	1.446	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)CC(C)(C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1	ZINC001573561080	946960907	/nfs/dbraw/zinc/96/09/07/946960907.db2.gz	IOLMKAYSUMOJBV-LBPRGKRZSA-N	1	0	373.436	1.740	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573293609	946963412	/nfs/dbraw/zinc/96/34/12/946963412.db2.gz	CYAKRZLPMHTNRF-HIFRSBDPSA-N	1	0	357.462	1.991	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573561705	946965968	/nfs/dbraw/zinc/96/59/68/946965968.db2.gz	MFJJWSQKEUJCKK-FNBIGBAISA-N	1	0	357.393	1.244	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)CC(C)(C)C[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001573561714	946967325	/nfs/dbraw/zinc/96/73/25/946967325.db2.gz	MGGDKVLUYGADQI-ZDUSSCGKSA-N	1	0	355.446	1.601	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C(C)(C)C1	ZINC001573561966	946969828	/nfs/dbraw/zinc/96/98/28/946969828.db2.gz	PSPGIBWYCICBFV-IUODEOHRSA-N	1	0	353.430	1.353	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)CCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1	ZINC001573562123	946971334	/nfs/dbraw/zinc/97/13/34/946971334.db2.gz	QXEARAPWVCBTIS-LBPRGKRZSA-N	1	0	359.409	1.446	20	30		FDEDRO
C=C(C)CC[NH+]1CCC(C)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1	ZINC001573293906	946972668	/nfs/dbraw/zinc/97/26/68/946972668.db2.gz	NUBLOBYCQKROLM-UHFFFAOYSA-N	1	0	357.462	1.993	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1OC	ZINC001573294045	946975083	/nfs/dbraw/zinc/97/50/83/946975083.db2.gz	SBMOMBMPOCEONZ-GDBMZVCRSA-N	1	0	371.445	1.246	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1	ZINC001573562666	946976732	/nfs/dbraw/zinc/97/67/32/946976732.db2.gz	VPRJORBESKABTH-ZBEGNZNMSA-N	1	0	371.420	1.492	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](CCCO[C@H]2CCOC2)CC1	ZINC001195885802	971306354	/nfs/dbraw/zinc/30/63/54/971306354.db2.gz	FQFUHLGUBJEVTE-OTWHNJEPSA-N	1	0	366.502	1.698	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C(C)(C)C1	ZINC001573294147	946980649	/nfs/dbraw/zinc/98/06/49/946980649.db2.gz	WIBICLITQSBUKR-OAHLLOKOSA-N	1	0	357.462	1.991	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573563960	946988210	/nfs/dbraw/zinc/98/82/10/946988210.db2.gz	DCUMQGOEQIWMIA-KZULUSFZSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC2(C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC1	ZINC001573565487	947006310	/nfs/dbraw/zinc/00/63/10/947006310.db2.gz	RHYOPBNTKBJURP-CQSZACIVSA-N	1	0	365.441	1.451	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1	ZINC001573566036	947022694	/nfs/dbraw/zinc/02/26/94/947022694.db2.gz	ZJEGCHTUTMKCIR-LLVKDONJSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@@H](C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573566971	947035874	/nfs/dbraw/zinc/03/58/74/947035874.db2.gz	INOCDWLXRSOWSG-ZBFHGGJFSA-N	1	0	367.457	1.697	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573567247	947041117	/nfs/dbraw/zinc/04/11/17/947041117.db2.gz	KQNDNHQMVYNSCD-SMDDNHRTSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573567697	947051031	/nfs/dbraw/zinc/05/10/31/947051031.db2.gz	RAIBHEOEEHMNKX-XJKSGUPXSA-N	1	0	353.430	1.449	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CCCC1	ZINC001573296880	947057778	/nfs/dbraw/zinc/05/77/78/947057778.db2.gz	AFQDOBQYKCMODT-AWEZNQCLSA-N	1	0	363.853	1.826	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573567968	947062015	/nfs/dbraw/zinc/06/20/15/947062015.db2.gz	VPFCTIIVQLOJDT-WCQYABFASA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21	ZINC001573569596	947072304	/nfs/dbraw/zinc/07/23/04/947072304.db2.gz	CBXVMQJBMFZADK-JLJPHGGASA-N	1	0	365.441	1.449	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)CC[C@@H]2C1	ZINC001573569559	947073955	/nfs/dbraw/zinc/07/39/55/947073955.db2.gz	BHPXOLJDYKBIOK-XQQFMLRXSA-N	1	0	371.470	1.368	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(-c2nn[nH]n2)c1	ZINC001573572730	947115503	/nfs/dbraw/zinc/11/55/03/947115503.db2.gz	JOVVCOZIJKLQEI-RJCAOGMDSA-N	1	0	365.441	1.638	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1CC12CC[NH+](Cc1ccc(-c3nn[nH]n3)cc1)CC2	ZINC001573573035	947116518	/nfs/dbraw/zinc/11/65/18/947116518.db2.gz	LJJSTJPYODENLP-XJKSGUPXSA-N	1	0	365.441	1.497	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC1(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCCC1	ZINC001573573025	947117146	/nfs/dbraw/zinc/11/71/46/947117146.db2.gz	LFRIBSQDRAVJHX-LBPRGKRZSA-N	1	0	371.420	1.684	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C(C)(C)C	ZINC001573573017	947117446	/nfs/dbraw/zinc/11/74/46/947117446.db2.gz	KZOVLDBOSWDJFE-IAQYHMDHSA-N	1	0	373.436	1.786	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCCCC1	ZINC001573575980	947145571	/nfs/dbraw/zinc/14/55/71/947145571.db2.gz	CFUCZZPCNUMLNY-CQSZACIVSA-N	1	0	367.457	1.935	20	30		FDEDRO
C=CC(C)(C)C(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573305283	947151603	/nfs/dbraw/zinc/15/16/03/947151603.db2.gz	OXLSSWDZVYDIJJ-LJQANCHMSA-N	1	0	370.457	1.132	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCCC1	ZINC001573578002	947178756	/nfs/dbraw/zinc/17/87/56/947178756.db2.gz	XCQWJKJOFPOQPN-CYBMUJFWSA-N	1	0	353.430	1.545	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N(C)CCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573309070	947192428	/nfs/dbraw/zinc/19/24/28/947192428.db2.gz	CIODOFXAZITALQ-SFHVURJKSA-N	1	0	358.446	1.132	20	30		FDEDRO
CC(C)[C@@H](CCNC(=O)[C@H](C)C#N)[NH2+]Cc1cccc(-c2nn[nH]n2)c1	ZINC001573583673	947206396	/nfs/dbraw/zinc/20/63/96/947206396.db2.gz	NUVIXIQBWSHZTJ-CZUORRHYSA-N	1	0	355.446	1.647	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC[C@H]1CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573584390	947222669	/nfs/dbraw/zinc/22/26/69/947222669.db2.gz	VDUURQBNRBBEGU-OLZOCXBDSA-N	1	0	371.420	1.494	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H](C)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573310397	947223470	/nfs/dbraw/zinc/22/34/70/947223470.db2.gz	XJQYYDGPBOCWTE-DJJJIMSYSA-N	1	0	370.457	1.130	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573585323	947253277	/nfs/dbraw/zinc/25/32/77/947253277.db2.gz	OLTMAZMKMBMVLK-DUVNUKRYSA-N	1	0	353.430	1.401	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1-c1nn[nH]n1	ZINC001573586247	947281258	/nfs/dbraw/zinc/28/12/58/947281258.db2.gz	MNDRQZFWHGPZMA-YOENINGUSA-N	1	0	351.414	1.248	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2[NH2+]Cc2cncn2C)cc1	ZINC001090864199	947356674	/nfs/dbraw/zinc/35/66/74/947356674.db2.gz	CCTMGVUBVHURPW-ZOCIIQOWSA-N	1	0	367.453	1.673	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1c1ccc(OC)cc1	ZINC001090868892	947382572	/nfs/dbraw/zinc/38/25/72/947382572.db2.gz	NBJLDXJISHNEJE-DLBZAZTESA-N	1	0	371.441	1.153	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2[NH2+]Cc2ccn(C)n2)cc1	ZINC001090866353	947401560	/nfs/dbraw/zinc/40/15/60/947401560.db2.gz	CUWPHJYHRRBDSG-MDASCCDHSA-N	1	0	367.453	1.673	20	30		FDEDRO
C=CCCC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1	ZINC001573329026	947415640	/nfs/dbraw/zinc/41/56/40/947415640.db2.gz	GNIJWMXCCYUTBK-WFASDCNBSA-N	1	0	355.446	1.607	20	30		FDEDRO
C=CCCCC(=O)N1CCC(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1	ZINC001573333741	947439943	/nfs/dbraw/zinc/43/99/43/947439943.db2.gz	DOZFRFNBZUQKNK-UHFFFAOYSA-N	1	0	355.446	1.690	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1	ZINC001573334173	947448393	/nfs/dbraw/zinc/44/83/93/947448393.db2.gz	ADUQMAYIOXLYLG-SFHVURJKSA-N	1	0	355.446	1.699	20	30		FDEDRO
C=CCC[N@@H+]1CCOC2(CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)C1	ZINC001573335776	947490553	/nfs/dbraw/zinc/49/05/53/947490553.db2.gz	UPHBPCFERVYGDX-UHFFFAOYSA-N	1	0	371.445	1.078	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2ccon2)C[C@H]1c1ccc(OC)cc1	ZINC001090875644	947494433	/nfs/dbraw/zinc/49/44/33/947494433.db2.gz	BTJYZMBYVDEJHV-RBUKOAKNSA-N	1	0	353.422	1.833	20	30		FDEDRO
Cn1nccc1[C@H](O)C1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000856804127	971404003	/nfs/dbraw/zinc/40/40/03/971404003.db2.gz	MKODSUPDIPACGO-FXAWDEMLSA-N	1	0	370.453	1.477	20	30		FDEDRO
C=CCOCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC001573342765	947545507	/nfs/dbraw/zinc/54/55/07/947545507.db2.gz	COBQAPHSXMFHTP-QAQDUYKDSA-N	1	0	370.457	1.586	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21	ZINC001573344204	947569621	/nfs/dbraw/zinc/56/96/21/947569621.db2.gz	ZECDRFYDGLUYHG-DLBZAZTESA-N	1	0	368.441	1.102	20	30		FDEDRO
C=CCOCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1	ZINC001573347298	947572380	/nfs/dbraw/zinc/57/23/80/947572380.db2.gz	BOUIDGKQNCHJAT-QWHCGFSZSA-N	1	0	359.434	1.028	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@H]2NCC#N)cc1	ZINC001090880621	947592506	/nfs/dbraw/zinc/59/25/06/947592506.db2.gz	BMLQUOQDBGSPFQ-ZYSHUDEJSA-N	1	0	356.470	1.587	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1	ZINC001573350540	947599267	/nfs/dbraw/zinc/59/92/67/947599267.db2.gz	FUIBKTZOUVYUNP-IOASZLSFSA-N	1	0	371.445	1.102	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573350663	947601525	/nfs/dbraw/zinc/60/15/25/947601525.db2.gz	IIZFKDIKNFFMQD-XKQJLSEDSA-N	1	0	370.457	1.394	20	30		FDEDRO
CC#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C(C)(C)[C@H]21	ZINC001573358490	947664169	/nfs/dbraw/zinc/66/41/69/947664169.db2.gz	LJYXHCGXLVVRRT-WQVCFCJDSA-N	1	0	367.457	1.437	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C(C)=O)C[C@H]1c1ccc(OC)cc1	ZINC001090888246	947705056	/nfs/dbraw/zinc/70/50/56/947705056.db2.gz	JDOMHNBWJZYFLU-XUVXKRRUSA-N	1	0	369.465	1.223	20	30		FDEDRO
CO[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)CCCC[NH+]1CCCC1	ZINC001090899713	947842501	/nfs/dbraw/zinc/84/25/01/947842501.db2.gz	KLMVZOINLFQXQR-IEBWSBKVSA-N	1	0	371.485	1.539	20	30		FDEDRO
Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N[C@H]3C[NH2+]C[C@@H]3C#N)c12	ZINC000844195503	947866173	/nfs/dbraw/zinc/86/61/73/947866173.db2.gz	VIHCKHGHDIMALO-FZMZJTMJSA-N	1	0	366.450	1.847	20	30		FDEDRO
C[N@H+](C[C@@H](O)c1cccc(C#N)c1)C[C@@H]1CCCN(S(C)(=O)=O)C1	ZINC000844368384	948018809	/nfs/dbraw/zinc/01/88/09/948018809.db2.gz	DULHLYMPDODQIV-DOTOQJQBSA-N	1	0	351.472	1.195	20	30		FDEDRO
C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O	ZINC001196091027	971452352	/nfs/dbraw/zinc/45/23/52/971452352.db2.gz	RGGCXGBXJFURBK-NSISKUIASA-N	1	0	365.433	1.062	20	30		FDEDRO
CCOC(=O)[C@@H]1CCCc2sc(NC(=O)CN(C)C(N)=[NH2+])c(C#N)c21	ZINC001144127950	948278595	/nfs/dbraw/zinc/27/85/95/948278595.db2.gz	AUYOSRWNNPKLIY-SECBINFHSA-N	1	0	363.443	1.367	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCC[C@@]3(CO[C@@H](C(=O)N4CCOCC4)C3)C2)nc1	ZINC001144160430	948304607	/nfs/dbraw/zinc/30/46/07/948304607.db2.gz	KCSNBLWLTZEEED-QUCCMNQESA-N	1	0	370.453	1.183	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(N3C(=O)[C@@H]4C[C@H](F)CN4C3=O)CC2)c1	ZINC000844741975	948354741	/nfs/dbraw/zinc/35/47/41/948354741.db2.gz	ZFJIGIIULRQTOR-RDJZCZTQSA-N	1	0	356.401	1.897	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)C1	ZINC000844862535	948439217	/nfs/dbraw/zinc/43/92/17/948439217.db2.gz	LRPLYOHMNNEVKY-RTBURBONSA-N	1	0	374.485	1.590	20	30		FDEDRO
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCC(C)(C)N1CC[NH+](C)CC1	ZINC000844869001	948454183	/nfs/dbraw/zinc/45/41/83/948454183.db2.gz	OTLWGRPJEJZVDN-SFHVURJKSA-N	1	0	373.501	1.259	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N1CCO[C@@H]2CN(c3snc(C)c3C#N)C[C@@H]21	ZINC001091050864	948662081	/nfs/dbraw/zinc/66/20/81/948662081.db2.gz	RVDFRZICPXVAJN-LSDHHAIUSA-N	1	0	363.487	1.081	20	30		FDEDRO
CC[C@H](C(=O)N1CCO[C@@H]2CN(c3ncccc3C#N)C[C@@H]21)[NH+](CC)CC	ZINC001091058214	948764861	/nfs/dbraw/zinc/76/48/61/948764861.db2.gz	HTFSTGRLJAPDCL-FGTMMUONSA-N	1	0	371.485	1.490	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NCC1CC([NH2+]Cc2cc(C#N)ccc2F)C1	ZINC001091077341	949013064	/nfs/dbraw/zinc/01/30/64/949013064.db2.gz	WMEGMLYWPVGFOS-QZXDYEHLSA-N	1	0	361.417	1.486	20	30		FDEDRO
CC(C)(C)C#CC(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573793314	949293888	/nfs/dbraw/zinc/29/38/88/949293888.db2.gz	OLCSUPZOPPYRBB-UHFFFAOYSA-N	1	0	352.442	1.464	20	30		FDEDRO
N=C(Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])c1ccc2cc(O)ccc2c1	ZINC001171184696	949327447	/nfs/dbraw/zinc/32/74/47/949327447.db2.gz	PDASJGJMLYBVKL-UHFFFAOYSA-N	1	0	364.365	1.967	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC1(C#N)CCOCC1	ZINC000845507984	949399861	/nfs/dbraw/zinc/39/98/61/949399861.db2.gz	CHGPYMRREIHRSL-CQSZACIVSA-N	1	0	369.462	1.695	20	30		FDEDRO
C=C[C@@H](C)ONC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	ZINC000845639311	949729629	/nfs/dbraw/zinc/72/96/29/949729629.db2.gz	PSTIGAFESFQAHV-OAHLLOKOSA-N	1	0	352.479	1.516	20	30		FDEDRO
C#Cc1ccc(CN2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)cc1	ZINC001144569636	949947838	/nfs/dbraw/zinc/94/78/38/949947838.db2.gz	VNURHYWWCNEJIX-UHFFFAOYSA-N	1	0	352.438	1.506	20	30		FDEDRO
C#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCOCC3)C2)cc1	ZINC001144572033	949954535	/nfs/dbraw/zinc/95/45/35/949954535.db2.gz	NNJREGLPJTXHPJ-NJYVYQBISA-N	1	0	368.477	1.754	20	30		FDEDRO
C#Cc1ccc(C[N@H+]2CCC[C@@]3(CO[C@H](C(=O)N4CCOCC4)C3)C2)cc1	ZINC001144573937	949957405	/nfs/dbraw/zinc/95/74/05/949957405.db2.gz	UPWIJOMKQNRRGA-UNMCSNQZSA-N	1	0	368.477	1.898	20	30		FDEDRO
N#Cc1sccc1S(=O)(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000845859698	950024728	/nfs/dbraw/zinc/02/47/28/950024728.db2.gz	SQQWSWIDQBWQKV-ZDUSSCGKSA-N	1	0	355.485	1.541	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc(C(C)(C)C)cc2)C1	ZINC001196445675	971674264	/nfs/dbraw/zinc/67/42/64/971674264.db2.gz	KNOVVDUFSOWMHI-RTBURBONSA-N	1	0	360.498	1.891	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1CC[C@H]2CCN(c3nc(C)cc(C#N)n3)[C@H]2C1	ZINC001091216465	950999682	/nfs/dbraw/zinc/99/96/82/950999682.db2.gz	LKGMHQZMLYSDCA-WMZOPIPTSA-N	1	0	370.501	1.816	20	30		FDEDRO
C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1	ZINC001091232360	951068179	/nfs/dbraw/zinc/06/81/79/951068179.db2.gz	LOLNTXYWMPLWTA-SSHXOBKSSA-N	1	0	369.893	1.393	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ncnn2CC(F)F)C1	ZINC001091238865	951128146	/nfs/dbraw/zinc/12/81/46/951128146.db2.gz	JCPDCLWHFZVIIB-PQAZSJQKSA-N	1	0	369.416	1.119	20	30		FDEDRO
C=C(Cl)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1	ZINC001571012018	951247055	/nfs/dbraw/zinc/24/70/55/951247055.db2.gz	DWQCCGZIZHVLQY-NWDGAFQWSA-N	1	0	363.853	1.778	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)N[C@@H]2CCCC[C@H]2Nc2ccc(C#N)cn2)CC1	ZINC001091274652	951322142	/nfs/dbraw/zinc/32/21/42/951322142.db2.gz	SRPHAEOOMDTLRI-QZTJIDSGSA-N	1	0	371.485	1.903	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)C3(O)CCSCC3)CC2)c1	ZINC000846612161	951374507	/nfs/dbraw/zinc/37/45/07/951374507.db2.gz	OGCPAWHFGBKYDL-UHFFFAOYSA-N	1	0	359.495	1.897	20	30		FDEDRO
COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CCCC1	ZINC000846677584	951439840	/nfs/dbraw/zinc/43/98/40/951439840.db2.gz	NUEMKAUUBRBDKK-CXAGYDPISA-N	1	0	352.438	1.756	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)c2)C1	ZINC001091404018	951596174	/nfs/dbraw/zinc/59/61/74/951596174.db2.gz	DHHDKFSRMCWHQL-AFYVEPGGSA-N	1	0	369.465	1.742	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+](C)C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1=O	ZINC000846892888	951682747	/nfs/dbraw/zinc/68/27/47/951682747.db2.gz	XSVJZUTWMOSVTP-KDOFPFPSSA-N	1	0	353.463	1.077	20	30		FDEDRO
CN1C[C@@H]([N@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCC1=O	ZINC000846919998	951694065	/nfs/dbraw/zinc/69/40/65/951694065.db2.gz	JMABHPSHZKSRBA-LSDHHAIUSA-N	1	0	363.421	1.776	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H](CC[NH+]2CCN(C(=O)CC#N)CC2)C1	ZINC000846963191	951735408	/nfs/dbraw/zinc/73/54/08/951735408.db2.gz	VCYWEKZNPPGBJK-HNNXBMFYSA-N	1	0	350.463	1.691	20	30		FDEDRO
CC(C)N(C)Cc1nnc2n1CCCN(C(=O)c1ncccc1C#N)C2	ZINC001196554773	971771870	/nfs/dbraw/zinc/77/18/70/971771870.db2.gz	LXRVAVXJFWDBBG-UHFFFAOYSA-N	1	0	353.430	1.431	20	30		FDEDRO
C#C[C@@H]1CCC[N@@H+](C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1	ZINC000847020949	951774975	/nfs/dbraw/zinc/77/49/75/951774975.db2.gz	GWOOHNBLQIXNNL-UYAOXDASSA-N	1	0	357.498	1.523	20	30		FDEDRO
C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1ccc(C#N)[nH]1	ZINC001575096188	951820201	/nfs/dbraw/zinc/82/02/01/951820201.db2.gz	ZXGVWGMRPNZWDY-LBPRGKRZSA-N	1	0	364.413	1.317	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cc(C)on4)C[C@]3(C)C2)C1=O	ZINC001091464084	951830860	/nfs/dbraw/zinc/83/08/60/951830860.db2.gz	UQTJUFZKSCNTHJ-OGWOLHLISA-N	1	0	358.442	1.164	20	30		FDEDRO
C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)c1cc(C#N)c[nH]1	ZINC001575101492	951859284	/nfs/dbraw/zinc/85/92/84/951859284.db2.gz	FTSAFEJWODOCHC-JTQLQIEISA-N	1	0	370.442	1.378	20	30		FDEDRO
C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1	ZINC001575107984	951922611	/nfs/dbraw/zinc/92/26/11/951922611.db2.gz	KKDHDOFBAMSBSD-GFCCVEGCSA-N	1	0	364.413	1.222	20	30		FDEDRO
C=C(Br)CN1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1	ZINC001091531247	951957607	/nfs/dbraw/zinc/95/76/07/951957607.db2.gz	NGGOVAUDJUHBPJ-YCPHGPKFSA-N	1	0	356.308	1.770	20	30		FDEDRO
CN1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@@]3(C)C2)C1	ZINC001091565695	952093067	/nfs/dbraw/zinc/09/30/67/952093067.db2.gz	VNUPOTPJPNRNJL-SJBKTWHCSA-N	1	0	367.493	1.149	20	30		FDEDRO
CSc1nc(C)c(C#N)c(NCc2ccccc2N2CC[NH2+]CC2)n1	ZINC001171282747	952158051	/nfs/dbraw/zinc/15/80/51/952158051.db2.gz	AOHUBVSBTUMUFM-UHFFFAOYSA-N	1	0	354.483	1.822	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)C4CC(F)(F)C4)C[C@]3(C)C2)C1=O	ZINC001091585648	952161564	/nfs/dbraw/zinc/16/15/64/952161564.db2.gz	OLNRRPFZUMJAIA-RKVPGOIHSA-N	1	0	367.440	1.599	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001571084276	952187973	/nfs/dbraw/zinc/18/79/73/952187973.db2.gz	GGWATEFTSOAHJP-IUODEOHRSA-N	1	0	371.420	1.636	20	30		FDEDRO
CCn1cc(CC[N@@H+]2C[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@]3(C)C2)cn1	ZINC001091604572	952225523	/nfs/dbraw/zinc/22/55/23/952225523.db2.gz	LBFSWOJUMLECPJ-UZLBHIALSA-N	1	0	366.469	1.739	20	30		FDEDRO
C[C@]12CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]1C[N@H+](CCc1ccns1)C2	ZINC001091605619	952235499	/nfs/dbraw/zinc/23/54/99/952235499.db2.gz	ZNAYTMDDAMBIDU-ACJLOTCBSA-N	1	0	355.467	1.979	20	30		FDEDRO
C[C@]12CN(C(=O)CC3OCCCO3)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001091613789	952299165	/nfs/dbraw/zinc/29/91/65/952299165.db2.gz	OGRSIGUWOIETPS-NQIIRXRSSA-N	1	0	369.465	1.992	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)Cc4ccoc4)C[C@]3(C)C2)C1=O	ZINC001091620409	952335540	/nfs/dbraw/zinc/33/55/40/952335540.db2.gz	ZFPGFVFQJVCVPW-UWVAXJGDSA-N	1	0	357.454	1.389	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4nccn4CC)C[C@]3(C)C2)C1=O	ZINC001091631897	952390768	/nfs/dbraw/zinc/39/07/68/952390768.db2.gz	XBJZKTWPAMGSKF-GUXCAODWSA-N	1	0	371.485	1.084	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+]([C@@H](CCCC)C(N)=O)C2	ZINC001147582927	952443218	/nfs/dbraw/zinc/44/32/18/952443218.db2.gz	JMTIXBZEDBXJKK-IKGGRYGDSA-N	1	0	363.502	1.546	20	30		FDEDRO
CC[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(C#N)n2)C1)[NH+](CC)CC	ZINC001091639819	952451841	/nfs/dbraw/zinc/45/18/41/952451841.db2.gz	UZENNPPNTBCLMP-XHSDSOJGSA-N	1	0	358.490	1.587	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3ccsc3)C2)C1	ZINC001147788208	952530625	/nfs/dbraw/zinc/53/06/25/952530625.db2.gz	ZKLGTFHKRZJECY-HYVNUMGLSA-N	1	0	371.506	1.524	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1CNc1ccc(C#N)cn1	ZINC001091666985	952553089	/nfs/dbraw/zinc/55/30/89/952553089.db2.gz	BGWYUBCSRNRVMY-IAGOWNOFSA-N	1	0	359.474	1.570	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)C1	ZINC001147932254	952571578	/nfs/dbraw/zinc/57/15/78/952571578.db2.gz	PXYHOZGMQHYGGQ-LUKYLMHMSA-N	1	0	361.486	1.027	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cc(-c4ccn(C)n4)on3)C[C@]2(C)C1	ZINC001091701787	952669219	/nfs/dbraw/zinc/66/92/19/952669219.db2.gz	IEWAWKVEXITMQR-KUHUBIRLSA-N	1	0	353.426	1.492	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3cnc4cc[nH]cc-4c3=O)C[C@]2(C)C1	ZINC001091708601	952695348	/nfs/dbraw/zinc/69/53/48/952695348.db2.gz	CFSMWBWSYQMCKT-VLIAUNLRSA-N	1	0	352.438	1.893	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(C(CC)CC)C3)C[C@]2(C)C1	ZINC001091709385	952697571	/nfs/dbraw/zinc/69/75/71/952697571.db2.gz	NIJOZKSZTSOTCL-LZJOCLMNSA-N	1	0	359.514	1.827	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3cccc(OCC(N)=O)c3)C[C@]2(C)C1	ZINC001091717542	952717537	/nfs/dbraw/zinc/71/75/37/952717537.db2.gz	TUWOXSQWYYGZQK-UZLBHIALSA-N	1	0	357.454	1.521	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)N(C)CC)C2	ZINC001148418883	952725872	/nfs/dbraw/zinc/72/58/72/952725872.db2.gz	WOTVOYIMEZGXQG-WMZOPIPTSA-N	1	0	363.502	1.370	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)N(CC)CC)C2	ZINC001148424907	952727393	/nfs/dbraw/zinc/72/73/93/952727393.db2.gz	WHQDUSPMLYHCIK-WMZOPIPTSA-N	1	0	363.502	1.370	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)n3nnnc3C(C)(C)C)C[C@]2(C)C1	ZINC001091724863	952742407	/nfs/dbraw/zinc/74/24/07/952742407.db2.gz	SMUPIHKQNXTDPM-KHYOSLBOSA-N	1	0	358.490	1.335	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cccc4c3NC(=O)CO4)C[C@]2(C)C1	ZINC001091745256	952781253	/nfs/dbraw/zinc/78/12/53/952781253.db2.gz	BGXBHMMYPBZFMG-VLIAUNLRSA-N	1	0	353.422	1.435	20	30		FDEDRO
Cc1cc(NC(=O)CNc2ccc(C#N)cn2)n(C2CC[NH+](C)CC2)n1	ZINC001148793148	952791153	/nfs/dbraw/zinc/79/11/53/952791153.db2.gz	LQSPZWQAJKTGLG-UHFFFAOYSA-N	1	0	353.430	1.776	20	30		FDEDRO
C[C@]12CN(C(=O)c3cn[nH]c(=O)c3)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001091762841	952846252	/nfs/dbraw/zinc/84/62/52/952846252.db2.gz	XRSABHJKKQZFQR-XLIONFOSSA-N	1	0	363.421	1.648	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H]3CCN(C(C)C)C3=O)C2)cn1	ZINC001086857772	952875967	/nfs/dbraw/zinc/87/59/67/952875967.db2.gz	VMOOGYSVPCIYES-KFKAGJAMSA-N	1	0	368.481	1.560	20	30		FDEDRO
CC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001086858126	952877952	/nfs/dbraw/zinc/87/79/52/952877952.db2.gz	PUDTXEMCZPSVSE-ZCNNSNEGSA-N	1	0	368.481	1.944	20	30		FDEDRO
CN1C(=O)CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001086866277	952897892	/nfs/dbraw/zinc/89/78/92/952897892.db2.gz	DIKUTFOCVWRTRR-IPMKNSEASA-N	1	0	368.481	1.944	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccccc2F)C1	ZINC001086970670	952972532	/nfs/dbraw/zinc/97/25/32/952972532.db2.gz	DHEMZJOGXJPSMI-QANKJYHBSA-N	1	0	355.417	1.803	20	30		FDEDRO
Cc1ccccc1C[NH2+][C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1c1cnn(C)c1	ZINC001086971442	952974466	/nfs/dbraw/zinc/97/44/66/952974466.db2.gz	NUEPCGNZCCHMFC-AYOQOUSVSA-N	1	0	351.454	1.972	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccnn2CC2CCC2)C[C@H]1c1cnn(C)c1	ZINC001086979055	952991785	/nfs/dbraw/zinc/99/17/85/952991785.db2.gz	GPLDYYHTFFAGJR-ZWKOTPCHSA-N	1	0	368.485	1.801	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2n[nH]c(CC)c2Cl)C[C@H]1c1cnn(C)c1	ZINC001086982879	952996129	/nfs/dbraw/zinc/99/61/29/952996129.db2.gz	JOFQDOISWBVQOL-GXTWGEPZSA-N	1	0	362.865	1.743	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(C)c3ccccc23)C[C@H]1c1cnn(C)c1	ZINC001086986478	953006770	/nfs/dbraw/zinc/00/67/70/953006770.db2.gz	RABSMNSLVFBABA-PKOBYXMFSA-N	1	0	361.449	1.743	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc3cnccc3c2)C[C@H]1c1cnn(C)c1	ZINC001086987712	953010549	/nfs/dbraw/zinc/01/05/49/953010549.db2.gz	IZWZJOIEWOXIDR-PKOBYXMFSA-N	1	0	360.421	1.194	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3nonc3c2)C[C@H]1c1cnn(C)c1	ZINC001086994484	953025536	/nfs/dbraw/zinc/02/55/36/953025536.db2.gz	DXAPKRYOOVEVMX-WMLDXEAASA-N	1	0	352.398	1.340	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn(CC)nc2C2CC2)C[C@H]1c1cnn(C)c1	ZINC001086980985	953031518	/nfs/dbraw/zinc/03/15/18/953031518.db2.gz	IAWIHKWSBWFJGP-FUHWJXTLSA-N	1	0	368.485	1.898	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2sc(Cl)nc2C)C[C@H]1c1cnn(C)c1	ZINC001086981197	953031870	/nfs/dbraw/zinc/03/18/70/953031870.db2.gz	VCUNEZVXNWXITN-QWHCGFSZSA-N	1	0	363.874	1.669	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)n(C)n2)C[C@H]1c1cnn(C)c1	ZINC001086981509	953032924	/nfs/dbraw/zinc/03/29/24/953032924.db2.gz	NDNRAUJGYTVOPH-DOTOQJQBSA-N	1	0	354.458	1.415	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cn2ccc(C(F)F)n2)C[C@H]1c1cnn(C)c1	ZINC001086982081	953034492	/nfs/dbraw/zinc/03/44/92/953034492.db2.gz	SEMRFWNKKYTFFD-DZGCQCFKSA-N	1	0	364.400	1.324	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2nnn(CC)c2CC)C[C@H]1c1cnn(C)c1	ZINC001086996381	953036681	/nfs/dbraw/zinc/03/66/81/953036681.db2.gz	BHZZOUFLZQOSBB-JKSUJKDBSA-N	1	0	371.489	1.368	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ocnc2C(F)F)C[C@H]1c1cnn(C)c1	ZINC001086997102	953039491	/nfs/dbraw/zinc/03/94/91/953039491.db2.gz	KXZGVQMPCHEXRF-NWDGAFQWSA-N	1	0	351.357	1.730	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc(OC)c2C)C[C@H]1c1cnn(C)c1	ZINC001086999883	953048651	/nfs/dbraw/zinc/04/86/51/953048651.db2.gz	ZVUIKLNHHGMXQN-ZWKOTPCHSA-N	1	0	352.438	1.568	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccnc(N(C)C)c2)C[C@H]1c1cnn(C)c1	ZINC001087000204	953049613	/nfs/dbraw/zinc/04/96/13/953049613.db2.gz	LCBCQQCJEILCRY-ZWKOTPCHSA-N	1	0	368.485	1.655	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C2(c3cccc(F)c3)CC2)C[C@H]1c1cnn(C)c1	ZINC001087000290	953049710	/nfs/dbraw/zinc/04/97/10/953049710.db2.gz	OZFUCLOVNGBMHO-RBUKOAKNSA-N	1	0	366.440	1.808	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2cnn(C)c2)C[C@H]1c1cnn(C)c1	ZINC001087003569	953059925	/nfs/dbraw/zinc/05/99/25/953059925.db2.gz	DCDZKMNEPYCQPQ-AYOQOUSVSA-N	1	0	370.501	1.493	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3CO2)C[C@H]1c1cnn(C)c1	ZINC001087008014	953094326	/nfs/dbraw/zinc/09/43/26/953094326.db2.gz	ISCIDDDHIGCJDE-ZCNNSNEGSA-N	1	0	366.465	1.632	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2c(C)noc2C)C[C@H]1c1cnn(C)c1	ZINC001087008955	953096777	/nfs/dbraw/zinc/09/67/77/953096777.db2.gz	HAJXIZKJLPJJOE-ZWKOTPCHSA-N	1	0	357.458	1.728	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2noc3c2COCC3)C[C@H]1c1cnn(C)c1	ZINC001087009836	953100099	/nfs/dbraw/zinc/10/00/99/953100099.db2.gz	AGXKBOATHUGBML-GOEBONIOSA-N	1	0	371.441	1.255	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCn2cc(Cl)cn2)C[C@H]1c1cnn(C)c1	ZINC001087010868	953102394	/nfs/dbraw/zinc/10/23/94/953102394.db2.gz	VMVIPUXWMVEOBW-JKSUJKDBSA-N	1	0	362.865	1.430	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](c2cccnc2)N(C)C)C[C@H]1c1cnn(C)c1	ZINC001087011063	953102742	/nfs/dbraw/zinc/10/27/42/953102742.db2.gz	CQHWJQWIMRFDON-IPMKNSEASA-N	1	0	368.485	1.188	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ncccc2OCC)C[C@H]1c1cnn(C)c1	ZINC001087012134	953105663	/nfs/dbraw/zinc/10/56/63/953105663.db2.gz	HHQNZFPRLJYOSJ-DLBZAZTESA-N	1	0	369.469	1.988	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](CC)OC)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087034055	953137098	/nfs/dbraw/zinc/13/70/98/953137098.db2.gz	NVOVMRNHYXBXLW-CEXWTWQISA-N	1	0	359.470	1.936	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001087023098	953138509	/nfs/dbraw/zinc/13/85/09/953138509.db2.gz	SSDPFKBDVMQVOI-KBRIMQKVSA-N	1	0	363.483	1.752	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001087035924	953146382	/nfs/dbraw/zinc/14/63/82/953146382.db2.gz	REAXAIZGDXKBKU-MZMPZRCHSA-N	1	0	358.417	1.810	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1csc(Cl)n1	ZINC001087036131	953146824	/nfs/dbraw/zinc/14/68/24/953146824.db2.gz	ZJAAVGCEVIDSKD-NQBHXWOUSA-N	1	0	356.879	1.909	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]C[C@@H]1CCCCO1	ZINC001087040058	953156861	/nfs/dbraw/zinc/15/68/61/953156861.db2.gz	PQMHMPJASNKHNQ-SOLBZPMBSA-N	1	0	360.458	1.522	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1oc(CC)nc1C	ZINC001087053643	953186193	/nfs/dbraw/zinc/18/61/93/953186193.db2.gz	ZSAHZDRPRRLYNG-SJLPKXTDSA-N	1	0	359.470	1.912	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2C)[C@H](OCC)C1	ZINC001087057525	953192340	/nfs/dbraw/zinc/19/23/40/953192340.db2.gz	HBOVUNPRFBKVNW-ZIAGYGMSSA-N	1	0	369.897	1.547	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1nc(C)oc1C	ZINC001087046202	953193576	/nfs/dbraw/zinc/19/35/76/953193576.db2.gz	QFSLOVMOZKJMAG-RDTXWAMCSA-N	1	0	371.441	1.758	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+][C@@H](C)c1cnccn1	ZINC001087046236	953193684	/nfs/dbraw/zinc/19/36/84/953193684.db2.gz	SXSKYGSHGSGEHC-PMUMKWKESA-N	1	0	368.441	1.504	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1ccccn1	ZINC001087046248	953193724	/nfs/dbraw/zinc/19/37/24/953193724.db2.gz	UJEUPKICNVLYPX-RDTXWAMCSA-N	1	0	353.426	1.548	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cnco2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001087070817	953223885	/nfs/dbraw/zinc/22/38/85/953223885.db2.gz	LFRLUGPCHGBQRT-MLGOLLRUSA-N	1	0	360.439	1.875	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2cnn(CC)n2)[C@H](OCC)C1	ZINC001087071610	953225936	/nfs/dbraw/zinc/22/59/36/953225936.db2.gz	YNNGOUHJQPLQOB-NVXWUHKLSA-N	1	0	363.506	1.853	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3ccnn3C)[C@H](OCC)C2)c1	ZINC001087082447	953241050	/nfs/dbraw/zinc/24/10/50/953241050.db2.gz	MBTJNGOVSUULAL-IEBWSBKVSA-N	1	0	367.453	1.063	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](C[NH2+]Cc2cn(CC)nn2)[C@H](OCC)C1	ZINC001087080118	953265331	/nfs/dbraw/zinc/26/53/31/953265331.db2.gz	VXWIWHAUGKFVAU-SZVBFZGTSA-N	1	0	363.506	1.853	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nncs3)[C@H](OCC)C2)cn1	ZINC001087097423	953284804	/nfs/dbraw/zinc/28/48/04/953284804.db2.gz	OUTTYEBVQMSPIZ-GDBMZVCRSA-N	1	0	371.466	1.181	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3cnc4ccccn4c3=O)C[C@]2(C)C1	ZINC001091791435	953312694	/nfs/dbraw/zinc/31/26/94/953312694.db2.gz	IQNZLRAUMHWMFC-QRWLVFNGSA-N	1	0	352.438	1.665	20	30		FDEDRO
C[C@]12CN(C(=O)c3cn[nH]n3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1F)C2	ZINC001091810536	953344257	/nfs/dbraw/zinc/34/42/57/953344257.db2.gz	YSDAYQOYIUGEPT-KDOFPFPSSA-N	1	0	354.389	1.410	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)c3cn4c(n3)C[C@H](OC)CC4)C[C@]2(C)C1	ZINC001091779983	953354814	/nfs/dbraw/zinc/35/48/14/953354814.db2.gz	RYLWAYIGXZWTJG-QINHECLXSA-N	1	0	358.486	1.814	20	30		FDEDRO
CC(C)[NH+]1CCN(Cc2ccc(N[C@@H]3C(=O)N(O)C[C@@H]3C)c(F)c2)CC1	ZINC001171368179	953366388	/nfs/dbraw/zinc/36/63/88/953366388.db2.gz	CCJINHQTAGIEQZ-KSSFIOAISA-N	1	0	364.465	2.000	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cc(C(F)(F)F)ncn3)C[C@]2(C)C1	ZINC001091848754	953438321	/nfs/dbraw/zinc/43/83/21/953438321.db2.gz	IQKIMWFKMHBINB-WBMJQRKESA-N	1	0	352.360	1.913	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cnn(C)c3C(F)(F)F)C[C@]2(C)C1	ZINC001091817792	953470878	/nfs/dbraw/zinc/47/08/78/953470878.db2.gz	XNUOBMDGTGYDTL-WBMJQRKESA-N	1	0	354.376	1.856	20	30		FDEDRO
CC[C@H](C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)[C@@H]1CC)[NH+](CC)CC	ZINC001091826038	953499060	/nfs/dbraw/zinc/49/90/60/953499060.db2.gz	AWERDKBWDPQFLG-ARFHVFGLSA-N	1	0	358.490	1.942	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(OC)cc3)C[C@]2(C)C1	ZINC001091828617	953508668	/nfs/dbraw/zinc/50/86/68/953508668.db2.gz	TYJWIDGELCZZRN-QRWLVFNGSA-N	1	0	357.454	1.990	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3COCCN3CC(F)F)C[C@]2(C)C1	ZINC001091883664	953519878	/nfs/dbraw/zinc/51/98/78/953519878.db2.gz	RQUUXSXRTAMDPY-RKVPGOIHSA-N	1	0	357.445	1.309	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@H]3CCCS3(=O)=O)C[C@]2(C)C1	ZINC001091885132	953522743	/nfs/dbraw/zinc/52/27/43/953522743.db2.gz	GOHUHRKVRSSKPX-NUJGCVRESA-N	1	0	354.516	1.700	20	30		FDEDRO
CC[C@@H](C(=O)N1C[C@H]2CCN(c3cncc(C#N)n3)C[C@H]2C1)[NH+](CC)CC	ZINC001091870018	953624551	/nfs/dbraw/zinc/62/45/51/953624551.db2.gz	AFZYLYATWVOWAR-RYRKJORJSA-N	1	0	370.501	1.753	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3coc4c3C(=O)NCCC4)C[C@]2(C)C1	ZINC001091870758	953628420	/nfs/dbraw/zinc/62/84/20/953628420.db2.gz	GLURGTWAZXXWTR-VLIAUNLRSA-N	1	0	357.454	1.926	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@@]3(C)C2)cc1	ZINC001091907027	953682424	/nfs/dbraw/zinc/68/24/24/953682424.db2.gz	MVJYFILUNQXTKU-KLHJMIIUSA-N	1	0	353.466	1.539	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@H]2C[N@H+](CC(=O)NC3CCOCC3)C[C@@]2(C)C1	ZINC001091917168	953707681	/nfs/dbraw/zinc/70/76/81/953707681.db2.gz	UVKATQYGDUNAPC-QRWLVFNGSA-N	1	0	363.502	1.274	20	30		FDEDRO
CN1CC[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@@]3(C)C2)C1=O	ZINC001091930623	953724643	/nfs/dbraw/zinc/72/46/43/953724643.db2.gz	MGGLXOMHQHEWBA-OPYAIIAOSA-N	1	0	366.465	1.317	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3COCCN3C3CCCC3)C[C@]2(C)C1	ZINC001091946906	953811766	/nfs/dbraw/zinc/81/17/66/953811766.db2.gz	RFJOFKRQPJKJTO-QFUCXCTJSA-N	1	0	361.530	1.986	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)CC2CCCC2)C1	ZINC001196925859	971973256	/nfs/dbraw/zinc/97/32/56/971973256.db2.gz	QSDCZEZXFASMPB-USXIJHARSA-N	1	0	351.491	1.199	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3C[N@H+](C[C@H](O)Cn4cccn4)C[C@@]3(C)C2)C1	ZINC001091994361	953908965	/nfs/dbraw/zinc/90/89/65/953908965.db2.gz	MDMOXUXNHJHBHB-UWVAXJGDSA-N	1	0	358.486	1.381	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)Cc4occc4C)C[C@]3(C)C2)C1=O	ZINC001091996870	953913479	/nfs/dbraw/zinc/91/34/79/953913479.db2.gz	BTUGTECKXJHREE-WWMYMODYSA-N	1	0	371.481	1.698	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)C2CCC2)C1	ZINC001196867746	971968841	/nfs/dbraw/zinc/96/88/41/971968841.db2.gz	MXTOJDPRHDOCKW-IAGOWNOFSA-N	1	0	351.491	1.201	20	30		FDEDRO
C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCCC4)O3)C[C@]2(C)C1	ZINC001092007687	953948128	/nfs/dbraw/zinc/94/81/28/953948128.db2.gz	IFOFHLUWYOSYQL-WWNBULGVSA-N	1	0	361.486	1.123	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CCN1c1cnc(C#N)cn1	ZINC001092025028	954108276	/nfs/dbraw/zinc/10/82/76/954108276.db2.gz	HPNPKNFYACEKIM-PBHICJAKSA-N	1	0	365.441	1.353	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CCN1c1ccncc1C#N	ZINC001092025610	954109492	/nfs/dbraw/zinc/10/94/92/954109492.db2.gz	VTNZNTSREGNIFO-QAPCUYQASA-N	1	0	364.453	1.958	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CCN1c1ccc(C#N)nn1	ZINC001092028407	954123606	/nfs/dbraw/zinc/12/36/06/954123606.db2.gz	CPSSSDZQPHSFNF-WBVHZDCISA-N	1	0	370.501	1.944	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)C3(N4CCOCC4)CCCC3)C[C@]2(C)C1	ZINC001092063804	954186453	/nfs/dbraw/zinc/18/64/53/954186453.db2.gz	SSHHWYMIYOQSHP-QUCCMNQESA-N	1	0	359.514	1.435	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCS(=O)(=O)C3)C[C@]2(C)C1	ZINC001092064466	954189435	/nfs/dbraw/zinc/18/94/35/954189435.db2.gz	XMKAOTBUZPGADK-NUJGCVRESA-N	1	0	354.516	1.558	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3nnn(C)c3C(F)(F)F)C[C@]2(C)C1	ZINC001092078807	954224584	/nfs/dbraw/zinc/22/45/84/954224584.db2.gz	CUPXBIGZLSEXSK-ABAIWWIYSA-N	1	0	355.364	1.251	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3C[N@H+](C[C@@H]4CCCOC4)C[C@@]3(C)C2)nn1	ZINC001092082431	954229255	/nfs/dbraw/zinc/22/92/55/954229255.db2.gz	ZBXHKPSGMBUOFB-FCEWJHQRSA-N	1	0	359.474	1.285	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@H]3C[N@H+](Cc4cccnc4)C[C@@]3(C)C2)nn1	ZINC001092085357	954235550	/nfs/dbraw/zinc/23/55/50/954235550.db2.gz	JRKPVOHSPZKZLK-XLIONFOSSA-N	1	0	366.469	1.843	20	30		FDEDRO
C[C@]12CN(C(=O)Cc3nnc[nH]3)C[C@H]1C[N@H+](Cc1ccc(C#N)c(F)c1)C2	ZINC001092181106	954474275	/nfs/dbraw/zinc/47/42/75/954474275.db2.gz	DBMQTPDPORBJKH-BEFAXECRSA-N	1	0	368.416	1.338	20	30		FDEDRO
Cn1cncc1CC(=O)N1C[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@@]2(C)C1	ZINC001092200737	954523571	/nfs/dbraw/zinc/52/35/71/954523571.db2.gz	NXMZPMJGZMZGNZ-KNQAVFIVSA-N	1	0	362.477	1.795	20	30		FDEDRO
Cn1cncc1CC(=O)N1C[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@]2(C)C1	ZINC001092200757	954524096	/nfs/dbraw/zinc/52/40/96/954524096.db2.gz	OWOZKBFBMCNMTE-NQIIRXRSSA-N	1	0	363.465	1.815	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccccc3C(=O)N(C)C)C[C@]2(C)C1	ZINC001092206898	954608292	/nfs/dbraw/zinc/60/82/92/954608292.db2.gz	PXMWVQXQBNEYKQ-IERDGZPVSA-N	1	0	353.466	1.806	20	30		FDEDRO
C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)C(=O)Nc3cc(C)on3)C[C@]2(C)C1	ZINC001092269501	954642795	/nfs/dbraw/zinc/64/27/95/954642795.db2.gz	ONUINTYVVXGNFP-WBMJQRKESA-N	1	0	352.822	1.454	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CN(c3ccc(C#N)nc3)C[C@@]2(C)C1	ZINC001092300743	954750138	/nfs/dbraw/zinc/75/01/38/954750138.db2.gz	FRSKNYOOHZGKDB-QRWLVFNGSA-N	1	0	355.486	1.968	20	30		FDEDRO
CC[C@H](C(=O)N1C[C@H]2CN(c3ccnc(C#N)n3)C[C@@]2(C)C1)[NH+](CC)CC	ZINC001092306985	954774322	/nfs/dbraw/zinc/77/43/22/954774322.db2.gz	OAJJDDYTLNZDEX-QINHECLXSA-N	1	0	370.501	1.753	20	30		FDEDRO
Cn1cnc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2Nc2ccc(C#N)nc2)c1	ZINC001092312614	954796675	/nfs/dbraw/zinc/79/66/75/954796675.db2.gz	XFCGKUBFUZQPNU-FUHWJXTLSA-N	1	0	367.457	1.045	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N1C[C@H]2CN(c3ncccc3C#N)C[C@@]2(C)C1	ZINC001092293548	954900157	/nfs/dbraw/zinc/90/01/57/954900157.db2.gz	MIUUDDULONNFQY-FXAWDEMLSA-N	1	0	355.486	1.970	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CNC(=O)CC1([NH+](C)C)CCCC1	ZINC001092425606	955066621	/nfs/dbraw/zinc/06/66/21/955066621.db2.gz	AVMDATTYIFDWJU-HZPDHXFCSA-N	1	0	370.501	1.801	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCO2)[C@H](C)C1	ZINC001092449214	955082398	/nfs/dbraw/zinc/08/23/98/955082398.db2.gz	NEALEPFVMIUVMD-LSBZLQRGSA-N	1	0	357.454	1.930	20	30		FDEDRO
C[C@@H]1CN(c2snc(Cl)c2C#N)C[C@H]1CNC(=O)CC[NH+](C)C	ZINC001092438251	955097805	/nfs/dbraw/zinc/09/78/05/955097805.db2.gz	TYDZCPWTAKOWEQ-GHMZBOCLSA-N	1	0	355.895	1.808	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)c1cnccn1	ZINC001092439027	955100705	/nfs/dbraw/zinc/10/07/05/955100705.db2.gz	SINPOHHQJCPZHQ-CZUORRHYSA-N	1	0	353.401	1.985	20	30		FDEDRO
CC[C@@H](C(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C)[NH+](CC)CC	ZINC001092442676	955110506	/nfs/dbraw/zinc/11/05/06/955110506.db2.gz	WNDQTLNNJKKPBR-INMHGKMJSA-N	1	0	358.490	1.657	20	30		FDEDRO
Cc1nsc(N2C[C@@H](CNC(=O)C[N@@H+]3CCC[C@H]3C)[C@H](C)C2)c1C#N	ZINC001092444307	955115007	/nfs/dbraw/zinc/11/50/07/955115007.db2.gz	AUICUFAPNCALKM-UMVBOHGHSA-N	1	0	361.515	1.996	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](CNC(=O)[C@H](C3CC3)[NH+](C)C)[C@H](C)C2)n1	ZINC001092416142	955148475	/nfs/dbraw/zinc/14/84/75/955148475.db2.gz	SNWSLBJCXAQYAU-VMGRFDJRSA-N	1	0	356.474	1.185	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C	ZINC001092460671	955185232	/nfs/dbraw/zinc/18/52/32/955185232.db2.gz	XGDUYYVQEISQRO-OAGGEKHMSA-N	1	0	356.474	1.411	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CCNC(=O)CCC[NH+]1CCCC1	ZINC001092523759	955320934	/nfs/dbraw/zinc/32/09/34/955320934.db2.gz	MNXWXSLPEFPQRD-IAGOWNOFSA-N	1	0	370.501	1.803	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC001092546075	955378725	/nfs/dbraw/zinc/37/87/25/955378725.db2.gz	KJBPYFQPZQARPS-HUUCEWRRSA-N	1	0	357.458	1.197	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3cc(C)c(C)o3)[C@H](C)C2)C1=O	ZINC001092546555	955381102	/nfs/dbraw/zinc/38/11/02/955381102.db2.gz	WQRNWWQMHGKOJJ-DJIMGWMZSA-N	1	0	359.470	1.981	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1CCNC(=O)[C@@H](C1CC1)[NH+](C)C	ZINC001092550046	955397363	/nfs/dbraw/zinc/39/73/63/955397363.db2.gz	GHWKWTVLOUYUDE-LSBZLQRGSA-N	1	0	355.486	1.872	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC001092551380	955402894	/nfs/dbraw/zinc/40/28/94/955402894.db2.gz	ZFPAIKGNPPWPNZ-CZUORRHYSA-N	1	0	365.437	1.483	20	30		FDEDRO
COc1cccc(C[N@H+]2C[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)n1	ZINC001092552302	955410007	/nfs/dbraw/zinc/41/00/07/955410007.db2.gz	RGFKWQAGNALTCD-UKRRQHHQSA-N	1	0	353.426	1.788	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](CCNC(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1	ZINC001092531575	955491567	/nfs/dbraw/zinc/49/15/67/955491567.db2.gz	KYBVXNAYHCRQBK-HYVNUMGLSA-N	1	0	370.501	1.577	20	30		FDEDRO
CCn1ncc(C(=O)NC[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]2C)n1	ZINC001092589696	955567001	/nfs/dbraw/zinc/56/70/01/955567001.db2.gz	BFXXJLKNTUIBJE-NVXWUHKLSA-N	1	0	369.444	1.787	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCC[C@@H]2CN(c3ccnc(C#N)n3)C[C@H]2C)CC[N@@H+]1C	ZINC001092598222	955603098	/nfs/dbraw/zinc/60/30/98/955603098.db2.gz	QXAAJMHCTQCBGG-KLHDSHLOSA-N	1	0	356.474	1.267	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)nc3c2cnn3C)C1	ZINC001197182139	972111620	/nfs/dbraw/zinc/11/16/20/972111620.db2.gz	UOUYGPYSDNGEKS-KBRIMQKVSA-N	1	0	357.458	1.406	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC001092572803	955685104	/nfs/dbraw/zinc/68/51/04/955685104.db2.gz	FGBNTJDMLBLXCI-LTIDMASMSA-N	1	0	370.501	1.657	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1CNc1ccnc(C#N)n1	ZINC001092649579	955793911	/nfs/dbraw/zinc/79/39/11/955793911.db2.gz	OSYRRLBEWTYECK-IAGOWNOFSA-N	1	0	370.501	1.543	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3cc4occc4[nH]3)[C@H](C)C2)C1=O	ZINC001092651296	955802415	/nfs/dbraw/zinc/80/24/15/955802415.db2.gz	OPHQPUWHGCFHDA-CKEIUWERSA-N	1	0	370.453	1.846	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cc(C)ncn2)C[C@H]1C	ZINC001092617342	955829335	/nfs/dbraw/zinc/82/93/35/955829335.db2.gz	LOIVBXDIFFELHO-OPNNQBFTSA-N	1	0	358.486	1.950	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CCNc1ccc(C#N)nn1	ZINC001092626439	955879218	/nfs/dbraw/zinc/87/92/18/955879218.db2.gz	STFABUDJZMDKPH-HUUCEWRRSA-N	1	0	356.474	1.587	20	30		FDEDRO
CCN1C[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)CC1=O	ZINC001092654957	955908080	/nfs/dbraw/zinc/90/80/80/955908080.db2.gz	IVFMSXNFPKEXFG-AYOQOUSVSA-N	1	0	368.481	1.611	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1C[C@@H](CNc2nc(C)cc(C#N)n2)[C@H](C)C1	ZINC001092655618	955911598	/nfs/dbraw/zinc/91/15/98/955911598.db2.gz	BIMVRFPQAFUWDW-GDBMZVCRSA-N	1	0	358.490	1.895	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)c1cc(=O)n(C)cn1	ZINC001092693199	956050322	/nfs/dbraw/zinc/05/03/22/956050322.db2.gz	NVQORDZSYDXVKF-RHSMWYFYSA-N	1	0	365.437	1.150	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)c1cc(=O)n(C)cn1	ZINC001092693501	956052149	/nfs/dbraw/zinc/05/21/49/956052149.db2.gz	UPWYHKSSPLWJEF-RHSMWYFYSA-N	1	0	365.437	1.150	20	30		FDEDRO
CC[NH+](CC)CC(=O)NC[C@]12CCC[C@H]1N(c1cnc(C#N)cn1)CC2	ZINC001092697917	956072816	/nfs/dbraw/zinc/07/28/16/956072816.db2.gz	KSZWXYCXIWGGME-VQIMIIECSA-N	1	0	356.474	1.555	20	30		FDEDRO
CC[C@H](C(=O)NC[C@]12CCC[C@H]1N(c1nc(C)cc(C#N)n1)CC2)[NH+](C)C	ZINC001092701665	956095217	/nfs/dbraw/zinc/09/52/17/956095217.db2.gz	HRUZZQOGOPLDAK-MBOZVWFJSA-N	1	0	370.501	1.862	20	30		FDEDRO
C#CCC1(O)CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1	ZINC001197263881	972178940	/nfs/dbraw/zinc/17/89/40/972178940.db2.gz	FEALWPNBDJYLKG-UHFFFAOYSA-N	1	0	361.398	1.782	20	30		FDEDRO
N#Cc1ccc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+]2CCCCC2)C3)nn1	ZINC001092838520	956453919	/nfs/dbraw/zinc/45/39/19/956453919.db2.gz	PHHPSPBYRAUEHH-SQNIBIBYSA-N	1	0	368.485	1.840	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(OCCOC)c2)C1	ZINC001197350158	972203295	/nfs/dbraw/zinc/20/32/95/972203295.db2.gz	QGVRWPKFBBJTKT-ZTFGCOKTSA-N	1	0	363.458	1.236	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@H](C)C1	ZINC001092854913	956695713	/nfs/dbraw/zinc/69/57/13/956695713.db2.gz	CMMPRCSRIAQHFL-ZWNOBZJWSA-N	1	0	363.849	1.381	20	30		FDEDRO
Cc1cc(C#N)nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C3)n1	ZINC001092862355	956724910	/nfs/dbraw/zinc/72/49/10/956724910.db2.gz	MJTHNSUPJPVPKF-QZWWFDLISA-N	1	0	356.474	1.469	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[C@@H]3C)[C@H](C)C2)c1	ZINC001092892142	956807493	/nfs/dbraw/zinc/80/74/93/956807493.db2.gz	DGVWHKWOOGAOBQ-MGTHKWJCSA-N	1	0	353.466	1.947	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@H]1CCN(C)C1=O	ZINC001092896427	956822461	/nfs/dbraw/zinc/82/24/61/956822461.db2.gz	QARCLOVOSUNCDX-ZTFGCOKTSA-N	1	0	354.454	1.221	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@@H]1CCN(C)C1=O	ZINC001092896955	956824714	/nfs/dbraw/zinc/82/47/14/956824714.db2.gz	BHPOZRAWTQRDDE-OLMNPRSZSA-N	1	0	354.454	1.221	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)c3conc3CC)[C@H](C)C2)C1=O	ZINC001092942331	956865546	/nfs/dbraw/zinc/86/55/46/956865546.db2.gz	IJJVGHSQJTWWPU-CPUCHLNUSA-N	1	0	360.458	1.322	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@H]2C)c1	ZINC001092952522	956886226	/nfs/dbraw/zinc/88/62/26/956886226.db2.gz	LZLTWAYEGVNOOO-CRAIPNDOSA-N	1	0	351.454	1.337	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)c1cccc(=O)n1C	ZINC001092954358	956892026	/nfs/dbraw/zinc/89/20/26/956892026.db2.gz	WCROLSRDLBNXSC-CRAIPNDOSA-N	1	0	364.449	1.755	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1C	ZINC001092978034	956975668	/nfs/dbraw/zinc/97/56/68/956975668.db2.gz	WEHSGHMGPZCHOO-TVFCKZIOSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2)C[C@H]1C	ZINC001092977928	956975848	/nfs/dbraw/zinc/97/58/48/956975848.db2.gz	QAQBXTGBGPEETA-RWQQGDIJSA-N	1	0	371.481	1.900	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1C	ZINC001092977998	956976082	/nfs/dbraw/zinc/97/60/82/956976082.db2.gz	UGKZTCBGPXZEAK-AXUOBQJMSA-N	1	0	371.481	1.561	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O	ZINC001092971122	957026768	/nfs/dbraw/zinc/02/67/68/957026768.db2.gz	WEKLBZQEKVFRNF-MPESAESLSA-N	1	0	358.417	1.003	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C	ZINC001092973405	957034254	/nfs/dbraw/zinc/03/42/54/957034254.db2.gz	WVRRDGTYBMOWFP-DQEVTTJGSA-N	1	0	368.481	1.467	20	30		FDEDRO
CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1)C(C)C	ZINC001092999567	957099880	/nfs/dbraw/zinc/09/98/80/957099880.db2.gz	PCROMRWOTSMQEJ-JEWRLFTDSA-N	1	0	370.501	1.941	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3cncn3C)C[C@H]2C)cc1	ZINC001093031359	957241652	/nfs/dbraw/zinc/24/16/52/957241652.db2.gz	BIYBXOKPXYQOMP-SJLPKXTDSA-N	1	0	366.465	1.930	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3cncc(F)c3)C[C@H]2C)nn1	ZINC001093034786	957251806	/nfs/dbraw/zinc/25/18/06/957251806.db2.gz	DCHQEFIVMWGDQS-UKRRQHHQSA-N	1	0	358.421	1.496	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3cc(C)ns3)C[C@H]2C)nn1	ZINC001093034959	957252998	/nfs/dbraw/zinc/25/29/98/957252998.db2.gz	HKQLHCOSTDKOHL-TZMCWYRMSA-N	1	0	360.487	1.727	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(CNC(C)=O)o2)[C@H](C)C1	ZINC001093058466	957280835	/nfs/dbraw/zinc/28/08/35/957280835.db2.gz	YEAZBWWWCSVKJS-BXUZGUMPSA-N	1	0	353.850	1.966	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)c1cc(C(N)=O)c[nH]1	ZINC001093085203	957368641	/nfs/dbraw/zinc/36/86/41/957368641.db2.gz	SYEIMFFXOSVHAQ-CXAGYDPISA-N	1	0	365.437	1.483	20	30		FDEDRO
COc1ncc(C(=O)NC[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2C)cn1	ZINC001093101340	957420311	/nfs/dbraw/zinc/42/03/11/957420311.db2.gz	SSLIRFMXYKILMU-VQIMIIECSA-N	1	0	364.449	1.835	20	30		FDEDRO
CC[C@H](C(=O)N[C@]12CCC[C@H]1CN(c1cncc(C#N)n1)C2)[NH+](CC)CC	ZINC001093103551	957436375	/nfs/dbraw/zinc/43/63/75/957436375.db2.gz	HNSHFUJLVQQCHQ-VPWXQRGCSA-N	1	0	370.501	1.944	20	30		FDEDRO
CCn1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2C)nn1	ZINC001093089813	957518642	/nfs/dbraw/zinc/51/86/42/957518642.db2.gz	FYFUFQKGHZEWHS-CHWSQXEVSA-N	1	0	358.471	1.729	20	30		FDEDRO
C[NH+](C)CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2cncc(C#N)n2)C1	ZINC001093115880	957559193	/nfs/dbraw/zinc/55/91/93/957559193.db2.gz	YOHCEFOPUNYTIN-CHWSQXEVSA-N	1	0	370.379	1.491	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2cc(Cn3cccn3)on2)[C@H](C)C1	ZINC001093117137	957565704	/nfs/dbraw/zinc/56/57/04/957565704.db2.gz	FCZSILFATKWNQD-TZMCWYRMSA-N	1	0	363.849	1.970	20	30		FDEDRO
CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(CNc2cnc(C#N)cn2)C1	ZINC001093124073	957587399	/nfs/dbraw/zinc/58/73/99/957587399.db2.gz	MZFLFINJUISIMH-KXBFYZLASA-N	1	0	356.474	1.729	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@H]1C	ZINC001093143535	957642630	/nfs/dbraw/zinc/64/26/30/957642630.db2.gz	NCMLSNWOOLVUGH-GDBMZVCRSA-N	1	0	368.437	1.888	20	30		FDEDRO
C[N@@H+]1CCCN(Cc2cccc(C(=O)Nc3nnccc3C#N)c2)CC1	ZINC001197498290	972284966	/nfs/dbraw/zinc/28/49/66/972284966.db2.gz	NAXRYQVXWFPEIA-UHFFFAOYSA-N	1	0	350.426	1.738	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2ccccc2-n2cnnn2)[C@H](C)C1	ZINC001093188734	957810476	/nfs/dbraw/zinc/81/04/76/957810476.db2.gz	YHUGDQIIBKFGQP-TZMCWYRMSA-N	1	0	360.849	1.713	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)N2CCC[C@H]2CC)C1	ZINC001197558686	972301665	/nfs/dbraw/zinc/30/16/65/972301665.db2.gz	JIEUZYFMXZCART-BRWVUGGUSA-N	1	0	351.491	1.295	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)N2CCC[C@@H]2CC)C1	ZINC001197558687	972302015	/nfs/dbraw/zinc/30/20/15/972302015.db2.gz	JIEUZYFMXZCART-GVDBMIGSSA-N	1	0	351.491	1.295	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)Cc3ccoc3)C[C@H]2C)C1=O	ZINC001093274540	957944913	/nfs/dbraw/zinc/94/49/13/957944913.db2.gz	QVZGXRXHHGQTTM-NXHRZFHOSA-N	1	0	359.470	1.683	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3nccs3)C[C@H]2C)C1=O	ZINC001093289280	957980420	/nfs/dbraw/zinc/98/04/20/957980420.db2.gz	XIQPICARIPTQDY-RBSFLKMASA-N	1	0	362.499	1.618	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCC2(Nc3ccncc3C#N)CCCCC2)CC[N@@H+]1C	ZINC001093412284	958028303	/nfs/dbraw/zinc/02/83/03/958028303.db2.gz	SKFSLBORUPJBTE-NVXWUHKLSA-N	1	0	355.486	1.946	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc[nH]n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093430502	958052955	/nfs/dbraw/zinc/05/29/55/958052955.db2.gz	NUXDLBAVMUISCK-KCYZZUKISA-N	1	0	352.866	1.742	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccon3)[C@H]2C(C)C)C[C@H]1O	ZINC001093433327	958060458	/nfs/dbraw/zinc/06/04/58/958060458.db2.gz	CDDIOTOVYUBNID-LMSBXDPUSA-N	1	0	367.877	1.936	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnns3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093435492	958064985	/nfs/dbraw/zinc/06/49/85/958064985.db2.gz	UGQXKGINGJYOMH-GKLJAUDBSA-N	1	0	350.488	1.694	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093436970	958068421	/nfs/dbraw/zinc/06/84/21/958068421.db2.gz	MTVVBXQXSYWDGE-NYCLONFESA-N	1	0	366.893	1.752	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nccc(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093441736	958078842	/nfs/dbraw/zinc/07/88/42/958078842.db2.gz	AJSLYIVGHRLUSY-PDOICOKGSA-N	1	0	358.486	1.941	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C3CN(C(C)=O)C3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093444566	958090474	/nfs/dbraw/zinc/09/04/74/958090474.db2.gz	TVOLGIVNFSKUBO-SOAMZJECSA-N	1	0	363.502	1.007	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)nc(C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093447810	958102834	/nfs/dbraw/zinc/10/28/34/958102834.db2.gz	ADOVJVLCIRHTKT-BNDYYXHWSA-N	1	0	355.482	1.911	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnc4[nH]cnc43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093448168	958106071	/nfs/dbraw/zinc/10/60/71/958106071.db2.gz	FLJRERGZVPXFNK-YVTWGWGSSA-N	1	0	369.469	1.724	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncc(COC)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093449361	958114993	/nfs/dbraw/zinc/11/49/93/958114993.db2.gz	GAPIOILPMYXWAI-WERVVEIQSA-N	1	0	371.481	1.441	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn4ccncc34)[C@@H]2C(C)C)C[C@H]1O	ZINC001093450770	958126957	/nfs/dbraw/zinc/12/69/57/958126957.db2.gz	XOFTYKRXRNZDAC-DLVXIWMQSA-N	1	0	369.469	1.495	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C)nc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093451521	958132584	/nfs/dbraw/zinc/13/25/84/958132584.db2.gz	VDVCTJPAGKHHSZ-SOAMZJECSA-N	1	0	358.486	1.195	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncc(C)cc3OC)[C@H]2C(C)C)C[C@H]1O	ZINC001093451626	958133672	/nfs/dbraw/zinc/13/36/72/958133672.db2.gz	WESXNLJZRLYFCW-IIZJSDIPSA-N	1	0	371.481	1.612	20	30		FDEDRO
COCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)[C@@H]1C(C)C	ZINC001093417486	958141431	/nfs/dbraw/zinc/14/14/31/958141431.db2.gz	WWNNDYBEXPZASY-QCFAMHMHSA-N	1	0	371.481	1.671	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3CCOCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093424117	958177311	/nfs/dbraw/zinc/17/73/11/958177311.db2.gz	QIDCKQYQZCSBMC-MLYOOKFZSA-N	1	0	350.503	1.955	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CCF)C3)[C@@H]2C(C)C)nn1	ZINC001093466158	958207875	/nfs/dbraw/zinc/20/78/75/958207875.db2.gz	LYHKSCLURJTJOD-KBEGMRNHSA-N	1	0	365.453	1.013	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccn(C)c3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001093467346	958213578	/nfs/dbraw/zinc/21/35/78/958213578.db2.gz	UZWJCGFRLWMSDP-RBAQFSTRSA-N	1	0	357.498	1.800	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnc(N(C)C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093467518	958214612	/nfs/dbraw/zinc/21/46/12/958214612.db2.gz	UELAMHFJLYCUTH-ZJSJBZJDSA-N	1	0	370.497	1.361	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C4CC4)no3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093467562	958215967	/nfs/dbraw/zinc/21/59/67/958215967.db2.gz	UPOVDWUXPNNBTR-QQTQMKHKSA-N	1	0	357.454	1.765	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C)nc3Cl)[C@H]2C(C)C)C[C@H]1O	ZINC001093473696	958244892	/nfs/dbraw/zinc/24/48/92/958244892.db2.gz	RMOFDBJNSQGTOU-ZXFNITATSA-N	1	0	364.877	1.286	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3nonc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093474776	958249987	/nfs/dbraw/zinc/24/99/87/958249987.db2.gz	WSIUOVILESWMMI-PSBWJHGTSA-N	1	0	362.474	1.463	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3cncn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093476430	958255063	/nfs/dbraw/zinc/25/50/63/958255063.db2.gz	AYIAGAARZPBSNR-LFGUQSLTSA-N	1	0	360.502	1.505	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnc(OC)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452650	958259265	/nfs/dbraw/zinc/25/92/65/958259265.db2.gz	MAMWWMPBHLPFGR-CIWUYKSXSA-N	1	0	359.470	1.856	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(=O)n(C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093453672	958263772	/nfs/dbraw/zinc/26/37/72/958263772.db2.gz	XDPKHKARFHCJKG-ZTRFORPCSA-N	1	0	359.470	1.151	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(C)c3Cl)[C@H]2C(C)C)C[C@H]1O	ZINC001093454143	958265437	/nfs/dbraw/zinc/26/54/37/958265437.db2.gz	ZPCCGEHIUJCBNA-ZXFNITATSA-N	1	0	364.877	1.286	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(OC)ccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093455392	958272966	/nfs/dbraw/zinc/27/29/66/958272966.db2.gz	MTPWRYABWRXXAU-MLYOOKFZSA-N	1	0	359.470	1.856	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3ccccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093455850	958273982	/nfs/dbraw/zinc/27/39/82/958273982.db2.gz	QQGSXUQOPUOQKY-VURPSTOHSA-N	1	0	355.482	1.614	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C)c(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093458324	958283093	/nfs/dbraw/zinc/28/30/93/958283093.db2.gz	NHXUMYZZHAMIEQ-BNDYYXHWSA-N	1	0	355.482	1.911	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c(C)noc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093477825	958290353	/nfs/dbraw/zinc/29/03/53/958290353.db2.gz	NJHLTTCTLUPGOL-IZBJGVDFSA-N	1	0	361.486	1.986	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(CC)n(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093478469	958295103	/nfs/dbraw/zinc/29/51/03/958295103.db2.gz	CQXAPHUCHKZILR-SOAMZJECSA-N	1	0	358.486	1.195	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)Cc3cccs3)C[C@H]2C)C1=O	ZINC001093613943	958375338	/nfs/dbraw/zinc/37/53/38/958375338.db2.gz	UOMIJWIEHWREPQ-BFYDXBDKSA-N	1	0	361.511	1.762	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001093647853	958426361	/nfs/dbraw/zinc/42/63/61/958426361.db2.gz	IVBTUESYFVWEKN-MZMPZRCHSA-N	1	0	361.417	1.297	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3cncc(F)c3)C[C@H]2C)C1=O	ZINC001093708661	958545512	/nfs/dbraw/zinc/54/55/12/958545512.db2.gz	KGXLXPQMYZNGIU-UNEWFSDZSA-N	1	0	360.433	1.305	20	30		FDEDRO
CC(C)c1nnc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)n1C	ZINC001093699551	958565296	/nfs/dbraw/zinc/56/52/96/958565296.db2.gz	DJMBRIGPXMBVAR-UKRRQHHQSA-N	1	0	369.473	1.636	20	30		FDEDRO
CCCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC001093722488	958597778	/nfs/dbraw/zinc/59/77/78/958597778.db2.gz	JEWJBSDELQQQKS-ZIAGYGMSSA-N	1	0	370.461	1.171	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cncnc2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001093731446	958628610	/nfs/dbraw/zinc/62/86/10/958628610.db2.gz	PWIVYIHJHGWSGE-CXAGYDPISA-N	1	0	353.401	1.985	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1cnnn1-c1ccccc1	ZINC001093763972	958705211	/nfs/dbraw/zinc/70/52/11/958705211.db2.gz	HGBKYTWNUOCTCX-SJLPKXTDSA-N	1	0	363.465	1.865	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@H]1C	ZINC001093782302	958766177	/nfs/dbraw/zinc/76/61/77/958766177.db2.gz	GVXMVPIENADCEL-XXLATIFVSA-N	1	0	369.465	1.787	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3ccc(CC)o3)C[C@H]2C)C1=O	ZINC001093868658	959048611	/nfs/dbraw/zinc/04/86/11/959048611.db2.gz	LWYXXVUWMSEURF-BFYDXBDKSA-N	1	0	359.470	1.927	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093870036	959052756	/nfs/dbraw/zinc/05/27/56/959052756.db2.gz	IIOYXAOSLWQEMV-DNVCBOLYSA-N	1	0	364.449	1.755	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093870548	959056766	/nfs/dbraw/zinc/05/67/66/959056766.db2.gz	UTUQYAMKKZYVMZ-UKRRQHHQSA-N	1	0	370.478	1.816	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C3(F)CCCC3)C[C@H]2C)C1=O	ZINC001093877259	959090312	/nfs/dbraw/zinc/09/03/12/959090312.db2.gz	GENCHDIBJUVIIE-OAGGEKHMSA-N	1	0	351.466	1.740	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093883716	959112007	/nfs/dbraw/zinc/11/20/07/959112007.db2.gz	WJGJPVTZVYBNOT-MGPQQGTHSA-N	1	0	360.483	1.330	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3ccc(C)c(C)n3)C[C@H]2C)C1=O	ZINC001093920903	959217366	/nfs/dbraw/zinc/21/73/66/959217366.db2.gz	ASXYQDYTBGZSFX-KBAYOESNSA-N	1	0	370.497	1.783	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2	ZINC001110150608	959230935	/nfs/dbraw/zinc/23/09/35/959230935.db2.gz	GSVSXRDJEJBJAM-BDXSIMOUSA-N	1	0	362.518	1.275	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093928300	959240299	/nfs/dbraw/zinc/24/02/99/959240299.db2.gz	XFOXTJMSXADRJB-RHSMWYFYSA-N	1	0	365.437	1.150	20	30		FDEDRO
Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1	ZINC001093984686	959419064	/nfs/dbraw/zinc/41/90/64/959419064.db2.gz	CALWKQNPWFKQNJ-DGCLKSJQSA-N	1	0	371.466	1.922	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001093999593	959479815	/nfs/dbraw/zinc/47/98/15/959479815.db2.gz	CABVUVAQHHIIKE-IUODEOHRSA-N	1	0	369.400	1.279	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+][C@H](C)c3nnc(C)o3)[C@H](C)C2)c1	ZINC001094027717	959548785	/nfs/dbraw/zinc/54/87/85/959548785.db2.gz	CFBMRRBUZRAHFX-PBFPGSCMSA-N	1	0	353.426	1.813	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3nnc(CC)s3)[C@H](C)C2)c1	ZINC001094028243	959550081	/nfs/dbraw/zinc/55/00/81/959550081.db2.gz	WMJADNYXTGSECV-CZUORRHYSA-N	1	0	369.494	1.975	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3nnc(C4CC4)o3)[C@H](C)C2)c1	ZINC001094028818	959551467	/nfs/dbraw/zinc/55/14/67/959551467.db2.gz	JJFPMGPPGHMLNJ-CXAGYDPISA-N	1	0	365.437	1.821	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3[nH]c(C)nc3C)C[C@H]2C)C1=O	ZINC001094052442	959633880	/nfs/dbraw/zinc/63/38/80/959633880.db2.gz	LTVBDVZNBIUVFR-DAXOMENPSA-N	1	0	359.474	1.111	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnc3n2CCCC3)[C@H](C)C1	ZINC001094055102	959645103	/nfs/dbraw/zinc/64/51/03/959645103.db2.gz	IKWHPWVUBFLAMI-VQHPVUNQSA-N	1	0	373.501	1.390	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccccc2C(N)=O)C1	ZINC001197799579	972446027	/nfs/dbraw/zinc/44/60/27/972446027.db2.gz	MSTIZXHKDVFWRA-ZTFGCOKTSA-N	1	0	359.470	1.234	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C[NH2+]C[C@@H]3CCS(=O)(=O)C3)[C@H](C)C2)CC1	ZINC001094017794	959663895	/nfs/dbraw/zinc/66/38/95/959663895.db2.gz	INVFYMAHCFIRSF-SOLBZPMBSA-N	1	0	368.543	1.852	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cnnn3C)[C@H](C)C2)cc1	ZINC001094093205	959761875	/nfs/dbraw/zinc/76/18/75/959761875.db2.gz	KQRLFQKDVXQWEH-NVXWUHKLSA-N	1	0	367.453	1.325	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cnon3)[C@H](C)C2)cc1	ZINC001094094115	959765410	/nfs/dbraw/zinc/76/54/10/959765410.db2.gz	JHXNTEYRZGNZNE-GDBMZVCRSA-N	1	0	354.410	1.580	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3nccc(C)n3)[C@H](C)C2)nn1	ZINC001094095830	959773440	/nfs/dbraw/zinc/77/34/40/959773440.db2.gz	YHAGYZWMUOPTER-UKRRQHHQSA-N	1	0	355.446	1.060	20	30		FDEDRO
COc1ncc(C(=O)N2C[C@@H](C[NH2+]Cc3cccc(C#N)c3)[C@H](C)C2)cn1	ZINC001094145310	959901153	/nfs/dbraw/zinc/90/11/53/959901153.db2.gz	CJRZDCPWAOHETQ-RDTXWAMCSA-N	1	0	365.437	1.855	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nc(COC)no3)[C@H](C)C2)nc1	ZINC001094172679	959971239	/nfs/dbraw/zinc/97/12/39/959971239.db2.gz	VLIWREWMCKEJSR-UKRRQHHQSA-N	1	0	369.425	1.090	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]Cc2ncccn2)[C@H](C)C1	ZINC001094173878	959973452	/nfs/dbraw/zinc/97/34/52/959973452.db2.gz	CWNJPCPPKGLXFF-HZPDHXFCSA-N	1	0	365.437	1.382	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001094174084	959975890	/nfs/dbraw/zinc/97/58/90/959975890.db2.gz	RBKFGBFIPPTWQM-CRAIPNDOSA-N	1	0	364.449	1.755	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nnc(C4CC4)o3)[C@H](C)C2)cn1	ZINC001094174296	959977362	/nfs/dbraw/zinc/97/73/62/959977362.db2.gz	DPKAAKAOJFVCOO-CZUORRHYSA-N	1	0	365.437	1.821	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]2C)cc1C#N	ZINC001094176925	959983080	/nfs/dbraw/zinc/98/30/80/959983080.db2.gz	CDGJJCZOHRCZCU-XYPHTWIQSA-N	1	0	370.453	1.030	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001094221865	960051106	/nfs/dbraw/zinc/05/11/06/960051106.db2.gz	ZPOHKTGKMDTMSQ-NVXWUHKLSA-N	1	0	367.453	1.820	20	30		FDEDRO
CCN1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)cc3)[C@H](C)C2)C1	ZINC001094234034	960142932	/nfs/dbraw/zinc/14/29/32/960142932.db2.gz	GVYYINIHLPQBKF-AHRSYUTCSA-N	1	0	370.497	1.463	20	30		FDEDRO
C#C[C@@H](NCC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)[C@@H]1CCCO1	ZINC000775791339	972484048	/nfs/dbraw/zinc/48/40/48/972484048.db2.gz	LUZHOFUODQFYSP-UXHICEINSA-N	1	0	370.497	1.537	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@]3(CNC(=O)c4cnccn4)CCC[C@@H]23)C1=O	ZINC001094354334	960300650	/nfs/dbraw/zinc/30/06/50/960300650.db2.gz	QKWBLJHPNDJCGU-SQGPQFPESA-N	1	0	369.469	1.238	20	30		FDEDRO
Cn1cc(C[N@@H+]2CC[C@@]3(CNC(=O)c4c[nH]c(C#N)c4)CCC[C@@H]23)cn1	ZINC001094393651	960341540	/nfs/dbraw/zinc/34/15/40/960341540.db2.gz	PMWHTCCTFRTVFQ-IEBWSBKVSA-N	1	0	352.442	1.794	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCCS3(=O)=O)CCC[C@@H]12	ZINC001094432783	960441332	/nfs/dbraw/zinc/44/13/32/960441332.db2.gz	AGAOZSIVHVTDQK-LZLYRXPVSA-N	1	0	354.516	1.891	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2cnnn2C)CC3)cc1	ZINC001094487146	960577133	/nfs/dbraw/zinc/57/71/33/960577133.db2.gz	OFBDZSBIUXPLGI-TZIWHRDSSA-N	1	0	363.465	1.971	20	30		FDEDRO
C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)Cc2ccc(F)c(C#N)c2)C1	ZINC001181183212	960640849	/nfs/dbraw/zinc/64/08/49/960640849.db2.gz	YKVJKGZCGOHGHJ-HNNXBMFYSA-N	1	0	355.417	1.657	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc4c(=O)[nH]c(C)cn4n3)CCC[C@@H]12	ZINC001094477978	960650066	/nfs/dbraw/zinc/65/00/66/960650066.db2.gz	NOWPVKDYXIUWST-YLJYHZDGSA-N	1	0	369.469	1.882	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CCC[C@@H]12	ZINC001094512427	960699135	/nfs/dbraw/zinc/69/91/35/960699135.db2.gz	PCRKNDIIAQSWDW-ZOMKSWQUSA-N	1	0	355.866	1.133	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3nnc4ccccc4c3O)CCC[C@@H]12	ZINC001094527207	960724952	/nfs/dbraw/zinc/72/49/52/960724952.db2.gz	VSCWQEOPDSYYCF-OXQOHEQNSA-N	1	0	350.422	1.943	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(S(C)(=O)=O)o3)CCC[C@@H]12	ZINC001094528189	960729132	/nfs/dbraw/zinc/72/91/32/960729132.db2.gz	NFSQQAJPVWJKRV-CRAIPNDOSA-N	1	0	364.467	1.681	20	30		FDEDRO
Cn1ncc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2ccc(C#N)s2)CC3)n1	ZINC001094534576	960750192	/nfs/dbraw/zinc/75/01/92/960750192.db2.gz	IRZFQMHNFLETJA-SJLPKXTDSA-N	1	0	370.482	1.923	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(CNC(C)=O)o3)CCC[C@@H]12	ZINC001094537034	960757335	/nfs/dbraw/zinc/75/73/35/960757335.db2.gz	IIDHIFATLDBUCL-UYAOXDASSA-N	1	0	357.454	1.913	20	30		FDEDRO
CC(C)(C)[N@H+]1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)N[C@@H](C#N)C(N)=O)C1	ZINC001181345007	960809431	/nfs/dbraw/zinc/80/94/31/960809431.db2.gz	CQYLDCGYDHLIJN-GUTXKFCHSA-N	1	0	364.396	1.272	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C(=O)NC)nc3)CCC[C@@H]12	ZINC001094563622	960823143	/nfs/dbraw/zinc/82/31/43/960823143.db2.gz	IRFJYNAERIJQCB-YLJYHZDGSA-N	1	0	356.470	1.992	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccccc3-n3cnnn3)CCC[C@@H]12	ZINC001094576167	960860505	/nfs/dbraw/zinc/86/05/05/960860505.db2.gz	WHYHSRCEEUKXKP-IEBWSBKVSA-N	1	0	350.426	1.270	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2cccc(F)c2C#N)C[C@@H]1[NH+]1CCCC1	ZINC000773308681	960979018	/nfs/dbraw/zinc/97/90/18/960979018.db2.gz	SSKAJGRJMJBYDQ-GJZGRUSLSA-N	1	0	369.487	1.898	20	30		FDEDRO
C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C[C@H]1C	ZINC001181772814	961093941	/nfs/dbraw/zinc/09/39/41/961093941.db2.gz	UQTMSWSJBNUCOA-PHXBYCTMSA-N	1	0	358.486	1.595	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CC3CCCC3)C2)C1	ZINC001094787671	961165925	/nfs/dbraw/zinc/16/59/25/961165925.db2.gz	CPCYFAJKSVGWHB-NXHRZFHOSA-N	1	0	361.486	1.169	20	30		FDEDRO
COC(=O)C1(Nc2ccnc(C#N)c2)CC[NH+](Cc2ccccc2)CC1	ZINC001171506668	961211790	/nfs/dbraw/zinc/21/17/90/961211790.db2.gz	IOCBEDAEJVYGOO-UHFFFAOYSA-N	1	0	350.422	1.995	20	30		FDEDRO
COc1ccc(C#CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)cc1	ZINC001182044994	961361740	/nfs/dbraw/zinc/36/17/40/961361740.db2.gz	FAPGGBLKKLNECM-UHFFFAOYSA-N	1	0	350.422	1.832	20	30		FDEDRO
N#Cc1cccc(C[NH2+]CC2CC(NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1	ZINC000962097109	1013270203	/nfs/dbraw/zinc/27/02/03/1013270203.db2.gz	NCEMREODVHHWHA-BAMZZKKUSA-N	1	0	351.450	1.966	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCC[C@@]3(CCNC3=O)C2)C[C@H]1C#N	ZINC001172990638	961860141	/nfs/dbraw/zinc/86/01/41/961860141.db2.gz	WVPUENFNHMCFIY-YZVOILCLSA-N	1	0	362.474	1.880	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CCN(C(=O)C3CC3)C2)C[C@H]1C#N	ZINC001172975035	961860511	/nfs/dbraw/zinc/86/05/11/961860511.db2.gz	VRLPZNGPQNPSRR-PMPSAXMXSA-N	1	0	362.474	1.879	20	30		FDEDRO
C#CCOCCOCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1	ZINC001172981021	961864187	/nfs/dbraw/zinc/86/41/87/961864187.db2.gz	IINPXNKBUSHQFN-HOTGVXAUSA-N	1	0	351.447	1.534	20	30		FDEDRO
C=CCOC1CCC([NH2+]CC(=O)NCC(=O)OCc2ccccc2)CC1	ZINC001173312090	961998824	/nfs/dbraw/zinc/99/88/24/961998824.db2.gz	AKBIMMWQXBYTDA-UHFFFAOYSA-N	1	0	360.454	1.949	20	30		FDEDRO
N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)CCc1ccccc1	ZINC001110300737	962064762	/nfs/dbraw/zinc/06/47/62/962064762.db2.gz	LGSYKGCKGBYOLX-HCXYKTFWSA-N	1	0	373.522	1.958	20	30		FDEDRO
CC(=O)N1CCC[N@@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1	ZINC001173428678	962143408	/nfs/dbraw/zinc/14/34/08/962143408.db2.gz	IKHJXXGHFFVEQW-UHFFFAOYSA-N	1	0	354.454	1.717	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([N@H+]3CCc4nncn4CC3)CC2)cc1	ZINC001173430054	962146273	/nfs/dbraw/zinc/14/62/73/962146273.db2.gz	KHBJNPJBSRGKCB-UHFFFAOYSA-N	1	0	350.426	1.313	20	30		FDEDRO
CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1	ZINC001173435263	962159364	/nfs/dbraw/zinc/15/93/64/962159364.db2.gz	IKPKISZDIYTBCJ-SFHVURJKSA-N	1	0	354.454	1.763	20	30		FDEDRO
C=C(C)C(=O)NCCC[NH2+]C1CCN(CC(=O)OCc2ccccc2)CC1	ZINC001173462097	962188527	/nfs/dbraw/zinc/18/85/27/962188527.db2.gz	KFTZVADOQYGWCZ-UHFFFAOYSA-N	1	0	373.497	1.866	20	30		FDEDRO
CC(=NNCC(C)(C)S(C)(=O)=O)c1cccc(OCC[NH+](C)C)c1	ZINC000774489165	962242745	/nfs/dbraw/zinc/24/27/45/962242745.db2.gz	TUEXLBHPAXLIQM-UHFFFAOYSA-N	1	0	355.504	1.764	20	30		FDEDRO
C#CC(C)(C)C(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1	ZINC001182635758	962350490	/nfs/dbraw/zinc/35/04/90/962350490.db2.gz	IRWHTLZLMSEJHY-MRXNPFEDSA-N	1	0	359.474	1.013	20	30		FDEDRO
C=CCN(CC(=O)OCC)C(=O)CC[NH+]1CCN(c2ccccn2)CC1	ZINC000781348128	962369338	/nfs/dbraw/zinc/36/93/38/962369338.db2.gz	BYVRPXQJHNHQKD-UHFFFAOYSA-N	1	0	360.458	1.171	20	30		FDEDRO
Cn1cccc1C(=O)N[C@@H]1C[N@@H+](C2CCC(C)(C#N)CC2)[C@@H]2COC[C@H]12	ZINC001173594894	962469984	/nfs/dbraw/zinc/46/99/84/962469984.db2.gz	NVQLSDQQHKJMDE-ZORLRNLNSA-N	1	0	356.470	1.927	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2cncn2C)C1	ZINC001182870041	962614995	/nfs/dbraw/zinc/61/49/95/962614995.db2.gz	ZURDQEMIIQRWFN-HGKSCXNLSA-N	1	0	360.502	1.976	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CCOC[C@H]1c1nccc(N(CC)CC)n1	ZINC001183042749	962755180	/nfs/dbraw/zinc/75/51/80/962755180.db2.gz	CNFXPZORQTYPAW-KRWDZBQOSA-N	1	0	373.501	1.875	20	30		FDEDRO
CC[N@H+](CCCC(=O)N[C@@H](C#N)C(N)=O)[C@@H](C)Cc1ccc(OC)cc1	ZINC001183149731	962834417	/nfs/dbraw/zinc/83/44/17/962834417.db2.gz	HAESGJZMBNDXFC-YOEHRIQHSA-N	1	0	360.458	1.222	20	30		FDEDRO
COc1ncc(Nc2ccc(N3CC[NH+](C)CC3)c(C#N)c2)c(OC)n1	ZINC001174869770	962966829	/nfs/dbraw/zinc/96/68/29/962966829.db2.gz	KSRVSEHDWFWWPC-UHFFFAOYSA-N	1	0	354.414	1.861	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1	ZINC001183361033	962985419	/nfs/dbraw/zinc/98/54/19/962985419.db2.gz	DDMJEEQNOIGJKQ-KURKYZTESA-N	1	0	362.474	1.281	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NC(C)(C)C	ZINC001175359208	963163418	/nfs/dbraw/zinc/16/34/18/963163418.db2.gz	REBSBTDPTGHDGZ-XHSDSOJGSA-N	1	0	353.507	1.757	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1nnc(C)n1CC	ZINC001175360051	963165351	/nfs/dbraw/zinc/16/53/51/963165351.db2.gz	XBXDUQYZOFRAJU-OIISXLGYSA-N	1	0	363.506	1.962	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccnc(OC)n1	ZINC001175365504	963169331	/nfs/dbraw/zinc/16/93/31/963169331.db2.gz	MRVVMKATCMPOOY-UAGQMJEPSA-N	1	0	362.474	1.841	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCS(C)(=O)=O	ZINC001175366306	963169669	/nfs/dbraw/zinc/16/96/69/963169669.db2.gz	TYWVLBODCSDEKN-OAGGEKHMSA-N	1	0	360.520	1.277	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@]2(C)CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)c1	ZINC000957537458	1013407407	/nfs/dbraw/zinc/40/74/07/1013407407.db2.gz	JYNBDEZQZVYOBR-UEXGIBASSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NCC1CC1	ZINC001175664353	963260573	/nfs/dbraw/zinc/26/05/73/963260573.db2.gz	SUKCUCGSGQJPCE-IEZWGBDMSA-N	1	0	365.518	1.758	20	30		FDEDRO
C[NH+]1CCN(c2ccc(Nc3c(C#N)cnn3-c3ncccn3)cn2)CC1	ZINC001176654613	963518278	/nfs/dbraw/zinc/51/82/78/963518278.db2.gz	MHXHCVRWWSVTFZ-UHFFFAOYSA-N	1	0	361.413	1.424	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1	ZINC001184415891	963604375	/nfs/dbraw/zinc/60/43/75/963604375.db2.gz	FXNGUFDTEJQGOW-ZACQAIPSSA-N	1	0	353.507	1.960	20	30		FDEDRO
CCN(CCC#N)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(F)(F)F)C2	ZINC001110354959	963767995	/nfs/dbraw/zinc/76/79/95/963767995.db2.gz	CLYAXQBTICKUIW-UPJWGTAASA-N	1	0	360.380	1.422	20	30		FDEDRO
COCC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1OCCO[C@H]1C	ZINC001177342005	963777140	/nfs/dbraw/zinc/77/71/40/963777140.db2.gz	HANRBKQRKOFLCW-HKUYNNGSSA-N	1	0	366.502	1.439	20	30		FDEDRO
CO/N=C(\C(=O)N(c1cc(OC)ccn1)C1CC[NH2+]CC1)c1ccco1	ZINC001177352310	963796308	/nfs/dbraw/zinc/79/63/08/963796308.db2.gz	QCPFCXOXXLHOAK-FXBPSFAMSA-N	1	0	358.398	1.819	20	30		FDEDRO
CC(C)[C@@H](CNS(=O)(=O)c1ccc(C#N)cn1)[NH+]1CCC(C)CC1	ZINC001185354299	963912560	/nfs/dbraw/zinc/91/25/60/963912560.db2.gz	UVBALMPZYPUSOW-MRXNPFEDSA-N	1	0	350.488	1.988	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NCC2([NH+](C)C)CCCC2)cc1C#N	ZINC000774867449	963929361	/nfs/dbraw/zinc/92/93/61/963929361.db2.gz	RNGNQAGEWCKNIU-UHFFFAOYSA-N	1	0	358.442	1.174	20	30		FDEDRO
O=C(C#Cc1cccnc1)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001177777532	963949995	/nfs/dbraw/zinc/94/99/95/963949995.db2.gz	PQLKOICCEOLCKA-QUCCMNQESA-N	1	0	365.408	1.936	20	30		FDEDRO
COC(=O)[C@@]1(NC(=O)C#Cc2cccnc2)CC[N@H+](Cc2ccccc2)C1	ZINC001177781291	963969399	/nfs/dbraw/zinc/96/93/99/963969399.db2.gz	OHOFRVHHQSGSIS-OAQYLSRUSA-N	1	0	363.417	1.367	20	30		FDEDRO
C=CCN1CCN(C(=O)C(C)(C)c2ncc(Br)cn2)CC1	ZINC001177812937	963979117	/nfs/dbraw/zinc/97/91/17/963979117.db2.gz	WZVHVQAPAWGIRD-UHFFFAOYSA-N	1	0	353.264	1.847	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1CCCC1=O	ZINC001110367302	964066732	/nfs/dbraw/zinc/06/67/32/964066732.db2.gz	BOPWWNMFLKDMSI-TVFCKZIOSA-N	1	0	363.502	1.702	20	30		FDEDRO
Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C1	ZINC001185750458	964105586	/nfs/dbraw/zinc/10/55/86/964105586.db2.gz	YSVIKIDXALAGAA-GUDVDZBRSA-N	1	0	366.440	1.905	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccnc2)C1	ZINC001185798114	964109596	/nfs/dbraw/zinc/10/95/96/964109596.db2.gz	WORITLJQVOYFFT-CEXWTWQISA-N	1	0	370.497	1.800	20	30		FDEDRO
C=C[C@@H](CO)NC(=O)[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1c1ccccc1	ZINC001178334209	964183134	/nfs/dbraw/zinc/18/31/34/964183134.db2.gz	XHNJGBCZEOISKX-YSIASYRMSA-N	1	0	351.450	1.960	20	30		FDEDRO
C=CCC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]3CCO[C@H]3CC)C2)nn1	ZINC001185975413	964244025	/nfs/dbraw/zinc/24/40/25/964244025.db2.gz	WEANCDKASVCZCO-KSZLIROESA-N	1	0	361.490	1.922	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1CCCO[C@H]1C(C)C	ZINC001178513258	964263726	/nfs/dbraw/zinc/26/37/26/964263726.db2.gz	BZVIIQIWBGVYHH-HKUYNNGSSA-N	1	0	365.518	1.453	20	30		FDEDRO
C=CCCOCC(=O)NC[C@@H]1C[N@H+](CCO)CC[C@@H]1c1ccc(F)cc1	ZINC001186203559	964351266	/nfs/dbraw/zinc/35/12/66/964351266.db2.gz	NYPMEEWHZICIBD-IEBWSBKVSA-N	1	0	364.461	1.932	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCCCC)[C@@H]1C	ZINC001178725944	964363464	/nfs/dbraw/zinc/36/34/64/964363464.db2.gz	SVKMFOCVVWQNBV-YVSFHVDLSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1	ZINC001186235096	964367336	/nfs/dbraw/zinc/36/73/36/964367336.db2.gz	SGPPVUGOFRJHDK-IXDOHACOSA-N	1	0	361.873	1.936	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCF)C2(C1)CCOCC2	ZINC001186373371	964482225	/nfs/dbraw/zinc/48/22/25/964482225.db2.gz	JAFKLHNSZDDDMU-ZACQAIPSSA-N	1	0	354.466	1.782	20	30		FDEDRO
C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC12CCOCC2	ZINC001186425521	964504370	/nfs/dbraw/zinc/50/43/70/964504370.db2.gz	UHOCQYWHKSABTM-WXJALIKYSA-N	1	0	358.482	1.278	20	30		FDEDRO
C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC12CCOCC2	ZINC001186433319	964508377	/nfs/dbraw/zinc/50/83/77/964508377.db2.gz	LYNWUHIRLKMEET-XLAORIBOSA-N	1	0	364.486	1.069	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)cc1	ZINC000957569847	1013506918	/nfs/dbraw/zinc/50/69/18/1013506918.db2.gz	WQVCWISUODKFSW-OXQOHEQNSA-N	1	0	367.493	1.977	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@H](C)c2ccc(OCCC)c(OC)c2)CC1	ZINC000775036406	964587429	/nfs/dbraw/zinc/58/74/29/964587429.db2.gz	YTQXNQNRGBZDDL-QGZVFWFLSA-N	1	0	373.497	1.912	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C)[C@H]1CCCO1	ZINC000773791650	964637551	/nfs/dbraw/zinc/63/75/51/964637551.db2.gz	CZKUNCHLVSDAEE-NVXWUHKLSA-N	1	0	373.453	1.171	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CC2CC(NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)s1	ZINC000962313216	1013520201	/nfs/dbraw/zinc/52/02/01/1013520201.db2.gz	CGJYBELRKCHFJI-DKNRTOFZSA-N	1	0	360.483	1.506	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCc1ccco1	ZINC001110384936	964781500	/nfs/dbraw/zinc/78/15/00/964781500.db2.gz	FJDHGSVMOPNEOC-ATLSCFEFSA-N	1	0	364.442	1.081	20	30		FDEDRO
Cc1nc(CC[N@@H+]2C[C@@H]3CCN(C(=O)CSCC#N)[C@@H]3C2)cs1	ZINC001186917358	964876565	/nfs/dbraw/zinc/87/65/65/964876565.db2.gz	LDNCYBDIYHBPJC-DZGCQCFKSA-N	1	0	350.513	1.784	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N(C)c2ccccc2)[C@@H]1C	ZINC001179566113	964901360	/nfs/dbraw/zinc/90/13/60/964901360.db2.gz	YUXSXGJNCRUOHC-NQYYFHDYSA-N	1	0	371.481	1.820	20	30		FDEDRO
C[C@H]1[C@@H]([NH2+]CC#Cc2ccc(F)cc2)CCN1C(=O)[C@H]1CC[C@@H](C(N)=O)C1	ZINC001179544062	964911706	/nfs/dbraw/zinc/91/17/06/964911706.db2.gz	SDVAVYLDCRUENA-RUENVJTFSA-N	1	0	371.456	1.658	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+]CC(=O)N1CCCCC1	ZINC001179633390	964940528	/nfs/dbraw/zinc/94/05/28/964940528.db2.gz	DUIOEYJZNQHOJW-MSOLQXFVSA-N	1	0	365.518	1.856	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCCCCC[NH2+][C@H](CC)C(N)=O	ZINC001179781385	964975535	/nfs/dbraw/zinc/97/55/35/964975535.db2.gz	ZEHKYDNSHZRADC-BBWFWOEESA-N	1	0	353.507	1.888	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)NC(C)C)C[C@H]21	ZINC001187226375	965102268	/nfs/dbraw/zinc/10/22/68/965102268.db2.gz	USRVPNWNAYWKMR-YESZJQIVSA-N	1	0	366.506	1.208	20	30		FDEDRO
C=CCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCCN(c4ccn(C)n4)C3=O)C[C@H]21	ZINC001187239714	965114356	/nfs/dbraw/zinc/11/43/56/965114356.db2.gz	HNQMKULLQSLXMS-GVDBMIGSSA-N	1	0	371.485	1.414	20	30		FDEDRO
C=CCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(CC(F)(F)F)C3=O)C[C@H]21	ZINC001187239572	965114848	/nfs/dbraw/zinc/11/48/48/965114848.db2.gz	GAATUHQSYAVRIS-BFHYXJOUSA-N	1	0	359.392	1.649	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)N3CCCCCC3)C[C@H]21	ZINC001187281626	965162738	/nfs/dbraw/zinc/16/27/38/965162738.db2.gz	XNWBZUWBHHSTSL-OKZBNKHCSA-N	1	0	363.502	1.513	20	30		FDEDRO
COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)Nc1[nH]cnc1C#N	ZINC001180405583	965308985	/nfs/dbraw/zinc/30/89/85/965308985.db2.gz	LAMHZAQOUAIHEA-UONOGXRCSA-N	1	0	353.382	1.141	20	30		FDEDRO
C[N@H+](CCNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)CCOCCO	ZINC001187423137	965323450	/nfs/dbraw/zinc/32/34/50/965323450.db2.gz	PAZLQGCZVRXZEV-UHFFFAOYSA-N	1	0	359.386	1.367	20	30		FDEDRO
C[NH+](C)C[C@@H]1COCCN1C(=O)C1CCN(c2ccccc2C#N)CC1	ZINC001180506376	965370677	/nfs/dbraw/zinc/37/06/77/965370677.db2.gz	CAZBKOIVPZSIKI-GOSISDBHSA-N	1	0	356.470	1.564	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(CCC)cc3)C[C@H]21	ZINC001187605433	965555272	/nfs/dbraw/zinc/55/52/72/965555272.db2.gz	KBOCUUMOBHGPPU-VQTJNVASSA-N	1	0	367.493	1.811	20	30		FDEDRO
CCN(CCC#N)C(=O)CN1C[C@@H]2CCN(C(=O)c3coc(C)c3)[C@@H]2C1	ZINC001187661803	965601228	/nfs/dbraw/zinc/60/12/28/965601228.db2.gz	ZLQBPQFVXVHZEW-DOTOQJQBSA-N	1	0	358.442	1.497	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CC[C@H]2C[N@H+](CCOCC(F)(F)F)C[C@H]21	ZINC001187699418	965645298	/nfs/dbraw/zinc/64/52/98/965645298.db2.gz	XKQDCYFNQOOPPN-GZBFAFLISA-N	1	0	350.381	1.425	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(CC(F)(F)F)C3=O)C[C@H]21	ZINC001187706866	965650768	/nfs/dbraw/zinc/65/07/68/965650768.db2.gz	TUJSNMDJUNUODS-SOUVJXGZSA-N	1	0	371.403	1.486	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(CC(F)(F)F)C3=O)C[C@H]21	ZINC001187706865	965651559	/nfs/dbraw/zinc/65/15/59/965651559.db2.gz	TUJSNMDJUNUODS-RRFJBIMHSA-N	1	0	371.403	1.486	20	30		FDEDRO
CC(C)C#CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc4c(c3)nnn4C)C[C@H]21	ZINC001187803477	965747037	/nfs/dbraw/zinc/74/70/37/965747037.db2.gz	BQGTWQMRJPNNJP-QFBILLFUSA-N	1	0	351.454	1.660	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](C[C@H](O)COCc3ccccc3)C[C@H]21	ZINC001187833856	965827428	/nfs/dbraw/zinc/82/74/28/965827428.db2.gz	WAAFBTDXZQMRPA-PCCBWWKXSA-N	1	0	368.477	1.510	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](C[C@H](O)COCc3ccco3)C[C@H]21	ZINC001187833905	965829619	/nfs/dbraw/zinc/82/96/19/965829619.db2.gz	YCOPDUIEABHAIX-JENIJYKNSA-N	1	0	358.438	1.103	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](Cc3ccccc3)OC)C[C@H]21	ZINC001187874146	965868794	/nfs/dbraw/zinc/86/87/94/965868794.db2.gz	MOJXYYNNVWWIQT-PWRODBHTSA-N	1	0	370.493	1.817	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(OC)c(C#N)c3)C[C@H]21	ZINC001187882834	965885313	/nfs/dbraw/zinc/88/53/13/965885313.db2.gz	XCRFBCOVFBARNX-HHXXYDBFSA-N	1	0	367.449	1.638	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)COCCOC)C[C@H]21	ZINC001188063462	965986764	/nfs/dbraw/zinc/98/67/64/965986764.db2.gz	JZBMJCAZXODMDP-GVDBMIGSSA-N	1	0	354.491	1.145	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CCNC(=O)c3ccncc3)[C@@H]2C1	ZINC001188118665	966038293	/nfs/dbraw/zinc/03/82/93/966038293.db2.gz	KXQYXGMZAFTBBZ-ZWKOTPCHSA-N	1	0	356.470	1.700	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(CC1)CC[NH+](CC(N)=O)CC2	ZINC000957618575	1013625408	/nfs/dbraw/zinc/62/54/08/1013625408.db2.gz	ANIWSZWFMJPPEI-WMZOPIPTSA-N	1	0	363.502	1.548	20	30		FDEDRO
C=C[C@H]1C[C@@]1(NC(=O)c1ccccc1CN1CC[NH+](C)CC1)C(=O)OCC	ZINC001188364904	966237416	/nfs/dbraw/zinc/23/74/16/966237416.db2.gz	FJCXILUJQPIJFH-UWJYYQICSA-N	1	0	371.481	1.672	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3ccncc3)[C@@H]2C1	ZINC001188413548	966308437	/nfs/dbraw/zinc/30/84/37/966308437.db2.gz	PNMBFQMEKLZASV-BPQIPLTHSA-N	1	0	356.470	1.238	20	30		FDEDRO
C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cc(C)cc(OC)c3C)[C@@H]2C1	ZINC001188449682	966320209	/nfs/dbraw/zinc/32/02/09/966320209.db2.gz	AFXGWPJLDDDGSC-FUHWJXTLSA-N	1	0	371.481	1.761	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(OC)nc(OC)c3)[C@@H]2C1	ZINC001188450684	966324668	/nfs/dbraw/zinc/32/46/68/966324668.db2.gz	ZJOZYDBKBRLTEE-GOEBONIOSA-N	1	0	361.442	1.448	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cn4ccc(C)cc4n3)[C@@H]2C1	ZINC001188469882	966340011	/nfs/dbraw/zinc/34/00/11/966340011.db2.gz	FOFTTWFUKFFMNV-FUHWJXTLSA-N	1	0	354.454	1.992	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnc4c(c3)NC(=O)CO4)[C@@H]2C1	ZINC001188470545	966341894	/nfs/dbraw/zinc/34/18/94/966341894.db2.gz	LWSNYRCRSWPFCY-XJKSGUPXSA-N	1	0	356.426	1.525	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3COc4ccccc4C3)[C@@H]2C1	ZINC001188494622	966367884	/nfs/dbraw/zinc/36/78/84/966367884.db2.gz	GWTJNRYYOIXENS-IPMKNSEASA-N	1	0	354.450	1.420	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C(F)F)n(C)n3)[C@@H]2C1	ZINC001188562050	966396138	/nfs/dbraw/zinc/39/61/38/966396138.db2.gz	MNJWWDCMKZIFEM-SWLSCSKDSA-N	1	0	354.401	1.707	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc4oc(=O)[nH]c43)[C@@H]2C1	ZINC001188568088	966399133	/nfs/dbraw/zinc/39/91/33/966399133.db2.gz	CWQDBYCSVKZBIP-DZGCQCFKSA-N	1	0	357.410	1.882	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)NC(=O)C(C)(C)C)[C@@H]2C1	ZINC001188752922	966523923	/nfs/dbraw/zinc/52/39/23/966523923.db2.gz	NHKWMHPTNXDCHD-HRCADAONSA-N	1	0	351.491	1.273	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2C2CC2)CC1	ZINC000964508079	1013658391	/nfs/dbraw/zinc/65/83/91/1013658391.db2.gz	JOEOCIWRTMMWRM-HSALFYBXSA-N	1	0	371.525	1.875	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCOc1ccccc1	ZINC001110403593	966621087	/nfs/dbraw/zinc/62/10/87/966621087.db2.gz	VJRNQCVFDDCHFU-RWQQGDIJSA-N	1	0	357.454	1.963	20	30		FDEDRO
C=C(Br)CN1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1	ZINC001188962560	966675492	/nfs/dbraw/zinc/67/54/92/966675492.db2.gz	CZMOCAXQIRVGKE-UONOGXRCSA-N	1	0	356.308	1.770	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN(CC(F)F)C3)[C@@H]2C1	ZINC001188963788	966677585	/nfs/dbraw/zinc/67/75/85/966677585.db2.gz	RQWVZLPBGPGUSK-YESZJQIVSA-N	1	0	371.472	1.699	20	30		FDEDRO
C=CCCCC(=O)N1CC[C@H]2C[N@@H+](CCc3nnn(C(C)(C)C)n3)C[C@H]21	ZINC001189007525	966697894	/nfs/dbraw/zinc/69/78/94/966697894.db2.gz	XGHSRZVLAJIJGY-JKSUJKDBSA-N	1	0	360.506	1.860	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3CN(CC(=O)N[C@H](C)C4CC4)C[C@H]32)c1	ZINC001189076992	966751340	/nfs/dbraw/zinc/75/13/40/966751340.db2.gz	HJHVDHWLGPTRMP-DKSSEZFCSA-N	1	0	366.465	1.124	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1	ZINC000775222133	966777001	/nfs/dbraw/zinc/77/70/01/966777001.db2.gz	LZOYEXNCHBEBRQ-UHFFFAOYSA-N	1	0	360.296	1.782	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)OCc3ccncc3)[C@@H]2C1	ZINC001189181741	966806963	/nfs/dbraw/zinc/80/69/63/966806963.db2.gz	GWWXNNHVKOPKMJ-NZSAHSFTSA-N	1	0	357.454	1.169	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)c3cc(C4CC4)n[nH]3)[C@@H]2C1	ZINC001189213303	966861895	/nfs/dbraw/zinc/86/18/95/966861895.db2.gz	ZREYIXKZMGPRGZ-HACGYAERSA-N	1	0	357.458	1.124	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3scnc3COC)[C@@H]2C1	ZINC001189358790	966942538	/nfs/dbraw/zinc/94/25/38/966942538.db2.gz	APNGMJABBMXJBN-DZGCQCFKSA-N	1	0	351.472	1.638	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C)nc4n[nH]c(C)c43)[C@@H]2C1	ZINC001189420284	966966218	/nfs/dbraw/zinc/96/62/18/966966218.db2.gz	VGKJOIGKFFRHLV-DOTOQJQBSA-N	1	0	367.453	1.371	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CC[C@H]2CN(Cc3ccc(OC)c(C#N)c3)C[C@H]21	ZINC001189471276	966983143	/nfs/dbraw/zinc/98/31/43/966983143.db2.gz	QMRIWMIUSBZRJK-PKOBYXMFSA-N	1	0	370.497	1.941	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CCN(C(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000957643657	1013699291	/nfs/dbraw/zinc/69/92/91/1013699291.db2.gz	MFLMISPSJZZDLQ-UWVAXJGDSA-N	1	0	368.437	1.646	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CCOC3CCOCC3)[C@@H]2C1	ZINC001189742330	967216255	/nfs/dbraw/zinc/21/62/55/967216255.db2.gz	QLCLYJIENAVDQC-FUHWJXTLSA-N	1	0	352.475	1.307	20	30		FDEDRO
CN1C(=O)CCc2cc(C[NH2+]CCNC(=O)C3N=CC=CC3=O)ccc21	ZINC000775305164	967233883	/nfs/dbraw/zinc/23/38/83/967233883.db2.gz	LRWXTIPEFTUZCT-HNENSFHCSA-N	1	0	354.410	1.212	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3n[nH]c(=O)c4ccccc43)[C@@H]2C1	ZINC001189892075	967406786	/nfs/dbraw/zinc/40/67/86/967406786.db2.gz	XJBLAIKVFFHULZ-WMLDXEAASA-N	1	0	368.437	1.684	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(NC(N)=O)c3)[C@@H]2C1	ZINC001190090349	967528292	/nfs/dbraw/zinc/52/82/92/967528292.db2.gz	PHNVDFSCXXLUER-DOTOQJQBSA-N	1	0	358.442	1.526	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(CNC(N)=O)cc3)[C@@H]2C1	ZINC001190090955	967529838	/nfs/dbraw/zinc/52/98/38/967529838.db2.gz	ZWWCVTVOSMGCHF-ZWKOTPCHSA-N	1	0	356.470	1.967	20	30		FDEDRO
COC(=O)C1(C#N)CCN(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)CC1	ZINC000852701139	967544131	/nfs/dbraw/zinc/54/41/31/967544131.db2.gz	MVHYRCUMFIMVKS-QGZVFWFLSA-N	1	0	370.453	1.749	20	30		FDEDRO
CCN(CC)C(=O)[C@@H](Cc1ccccc1)NC(=O)C#CC1CC[NH2+]CC1	ZINC000852803872	967619170	/nfs/dbraw/zinc/61/91/70/967619170.db2.gz	FLYFPJXJFMMCOL-LJQANCHMSA-N	1	0	355.482	1.585	20	30		FDEDRO
Cc1cccc(NC(=O)N2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)c1	ZINC000852828814	967639480	/nfs/dbraw/zinc/63/94/80/967639480.db2.gz	RTTQMOYAHZCIBL-UHFFFAOYSA-N	1	0	354.454	1.674	20	30		FDEDRO
COc1cc(OC)cc(N2CCCN(C(=O)C#CC3CC[NH2+]CC3)CC2)c1	ZINC000852871786	967678165	/nfs/dbraw/zinc/67/81/65/967678165.db2.gz	CMNIXJDYOBDAML-UHFFFAOYSA-N	1	0	371.481	1.746	20	30		FDEDRO
C[C@H]1C[C@@H]1c1noc(CC2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)n1	ZINC000852895958	967694210	/nfs/dbraw/zinc/69/42/10/967694210.db2.gz	NYTNFXJXWUKGBK-YOEHRIQHSA-N	1	0	356.470	1.977	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CCCOc3cccnc3)[C@@H]2C1	ZINC001190282610	967735802	/nfs/dbraw/zinc/73/58/02/967735802.db2.gz	UCBHJYRPXDZFIA-PKOBYXMFSA-N	1	0	359.470	1.976	20	30		FDEDRO
CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F	ZINC000853080636	967814934	/nfs/dbraw/zinc/81/49/34/967814934.db2.gz	ARUKJJODQMVJGK-VKHMYHEASA-N	1	0	372.237	1.892	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3c(C)cccc3C)[C@@H]2C1	ZINC001190527162	967922024	/nfs/dbraw/zinc/92/20/24/967922024.db2.gz	LQWXEUBTPVLLGD-ZWKOTPCHSA-N	1	0	371.481	1.977	20	30		FDEDRO
C[C@@H](C(=O)O[C@H](C[NH+](C)C)c1cc(F)c(F)c(F)c1)n1cnc(C#N)n1	ZINC000853214916	967922285	/nfs/dbraw/zinc/92/22/85/967922285.db2.gz	PAKLQYVZUXXSRJ-TVQRCGJNSA-N	1	0	367.331	1.974	20	30		FDEDRO
N#Cc1ccc(C(=O)N(Cc2cnc3n2CC[NH2+]CC3)c2ccccn2)nc1	ZINC001190584369	967968408	/nfs/dbraw/zinc/96/84/08/967968408.db2.gz	NJCUPIWTSANIJH-UHFFFAOYSA-N	1	0	373.420	1.537	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(c3cc(Br)cnc3C#N)CC2)C1	ZINC000853340774	967977095	/nfs/dbraw/zinc/97/70/95/967977095.db2.gz	IFOJZFRZLHQOFS-CQSZACIVSA-N	1	0	364.291	1.932	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)nc1	ZINC000853385132	967996458	/nfs/dbraw/zinc/99/64/58/967996458.db2.gz	YWSJWPSXYXUDGU-KRWDZBQOSA-N	1	0	372.473	1.261	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC(C)C	ZINC001110666242	968007634	/nfs/dbraw/zinc/00/76/34/968007634.db2.gz	DTQJZDWEFIQLJG-ZACQAIPSSA-N	1	0	358.486	1.781	20	30		FDEDRO
N#Cc1cccnc1NCCNC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1	ZINC000853481948	968043692	/nfs/dbraw/zinc/04/36/92/968043692.db2.gz	NPHDURRAIZLWCU-INIZCTEOSA-N	1	0	356.474	1.786	20	30		FDEDRO
CS(=O)(=O)N1CC[C@H](CO[NH+]=Cc2ccc(N3CCOCC3)cc2)C1	ZINC000853642196	968219092	/nfs/dbraw/zinc/21/90/92/968219092.db2.gz	BRBGHWWIWQFRLY-INIZCTEOSA-N	1	0	367.471	1.155	20	30		FDEDRO
C#CCCN(CCOC)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000853655054	968228586	/nfs/dbraw/zinc/22/85/86/968228586.db2.gz	RIIASKLJRRJSCI-FQEVSTJZSA-N	1	0	372.513	1.656	20	30		FDEDRO
Cc1ccccc1OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1	ZINC001191157093	968304102	/nfs/dbraw/zinc/30/41/02/968304102.db2.gz	YNAZJSUUDVJACO-HZPDHXFCSA-N	1	0	363.483	1.182	20	30		FDEDRO
COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)C1	ZINC001191422814	968501837	/nfs/dbraw/zinc/50/18/37/968501837.db2.gz	MPWPHPJHJLRJPV-NJYVYQBISA-N	1	0	370.493	1.959	20	30		FDEDRO
N#Cc1ccc(CNC(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)nc1	ZINC000854010754	968528557	/nfs/dbraw/zinc/52/85/57/968528557.db2.gz	UGWVDXQCMKINKX-LJQANCHMSA-N	1	0	365.437	1.519	20	30		FDEDRO
C#CC[NH+]1CCC(c2nc(-c3ccnc(N4CC[NH+](C)CC4)c3)no2)CC1	ZINC000854084140	968579995	/nfs/dbraw/zinc/57/99/95/968579995.db2.gz	CTHPEFQUURLFRQ-UHFFFAOYSA-N	1	0	366.469	1.696	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CC2CCC(F)(F)CC2)C[C@H]1O	ZINC001191614189	968667052	/nfs/dbraw/zinc/66/70/52/968667052.db2.gz	HORPAWCGVWPMPM-FVQBIDKESA-N	1	0	360.445	1.954	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@H+](CC[C@@H](C)OCc2ccccc2)C[C@H]1O	ZINC001191771082	968738740	/nfs/dbraw/zinc/73/87/40/968738740.db2.gz	KOUGGFJZPYKFFV-BHIYHBOVSA-N	1	0	362.470	1.346	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@H+](CCCOc2c(C)cccc2C)C[C@H]1O	ZINC001191777484	968742404	/nfs/dbraw/zinc/74/24/04/968742404.db2.gz	NLMSBCPRDHSCGJ-QZTJIDSGSA-N	1	0	362.470	1.436	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H](CNc2ccc(C#N)nn2)C2CCCC2)CC[N@@H+]1C	ZINC001110684114	968791044	/nfs/dbraw/zinc/79/10/44/968791044.db2.gz	XBRCWSNXGMMSBU-KBRIMQKVSA-N	1	0	356.474	1.775	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Cc1ccc(NC(=O)C(F)(F)F)cc1	ZINC000854664126	969066932	/nfs/dbraw/zinc/06/69/32/969066932.db2.gz	NIJHLFFCCVJZSN-UHFFFAOYSA-N	1	0	355.360	1.801	20	30		FDEDRO
C[N@H+](CC#Cc1cccc(Cl)c1)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001192378835	969087934	/nfs/dbraw/zinc/08/79/34/969087934.db2.gz	YZBYSBSVBRJMKH-ZACQAIPSSA-N	1	0	359.857	1.346	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1CN([C@H]2CCCN(c3ccccc3)C2=O)C[C@H]1O	ZINC001192518759	969151406	/nfs/dbraw/zinc/15/14/06/969151406.db2.gz	YMCCKTIBMBCQFW-CEXWTWQISA-N	1	0	369.465	1.147	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)C[C@H]1O	ZINC001192523997	969153483	/nfs/dbraw/zinc/15/34/83/969153483.db2.gz	CVWISJMYPWTKCO-GGPKGHCWSA-N	1	0	355.438	1.223	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@@H+](CCCOCCc2ccccc2)C[C@H]1O	ZINC001192525778	969171833	/nfs/dbraw/zinc/17/18/33/969171833.db2.gz	ZNCWRGDXDZBGBO-WOJBJXKFSA-N	1	0	358.482	1.601	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2cccc3ccccc32)C[C@H]1O	ZINC001192530668	969175349	/nfs/dbraw/zinc/17/53/49/969175349.db2.gz	PNIBVTMQYALHFR-SBHAEUEKSA-N	1	0	354.450	1.828	20	30		FDEDRO
CCN(CCC#N)C(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CCC2)C1	ZINC001192780059	969285689	/nfs/dbraw/zinc/28/56/89/969285689.db2.gz	YSJOGNJDLNAYDG-FGTMMUONSA-N	1	0	360.502	1.717	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCc2nc(C)no2)C1	ZINC001192794323	969300477	/nfs/dbraw/zinc/30/04/77/969300477.db2.gz	GLAGJXOHHRCSCW-RYRKJORJSA-N	1	0	362.474	1.825	20	30		FDEDRO
COCC[C@H](c1ccccc1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1	ZINC001192871841	969326573	/nfs/dbraw/zinc/32/65/73/969326573.db2.gz	WJXRCOMLGCSVJS-GUDVDZBRSA-N	1	0	358.482	1.975	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCc2ccc(Cl)cc2)C[C@H]1O	ZINC001192891092	969350019	/nfs/dbraw/zinc/35/00/19/969350019.db2.gz	HQQYMPPCYPZKHC-IAOVAPTHSA-N	1	0	350.846	1.082	20	30		FDEDRO
C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2c(F)c(F)cc(F)c2F)C1	ZINC001193112585	969478033	/nfs/dbraw/zinc/47/80/33/969478033.db2.gz	WHYPHNAVMDYHEB-VXGBXAGGSA-N	1	0	362.323	1.221	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)n(C)n2)C1	ZINC001193241569	969570404	/nfs/dbraw/zinc/57/04/04/969570404.db2.gz	SONGMJCSWPFVJM-RAIGVLPGSA-N	1	0	360.380	1.569	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ccccc3c(=O)o2)C1	ZINC001193297158	969621804	/nfs/dbraw/zinc/62/18/04/969621804.db2.gz	SFGFECHSYLNMOL-IAOVAPTHSA-N	1	0	356.422	1.923	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1CN(Cc2ccccc2F)C[C@H]1O)OCC	ZINC001193422313	969697295	/nfs/dbraw/zinc/69/72/95/969697295.db2.gz	OUTLMPQCAUQDPN-KURKYZTESA-N	1	0	350.434	1.858	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nn3c(c2C)OCCC3)C1	ZINC001193568752	969740402	/nfs/dbraw/zinc/74/04/02/969740402.db2.gz	JNOGLQWFVIFWHV-HZPDHXFCSA-N	1	0	364.490	1.719	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(c2ccccc2C#N)CC1	ZINC000466761196	969938475	/nfs/dbraw/zinc/93/84/75/969938475.db2.gz	QCMMKNTUOMVANQ-CRAIPNDOSA-N	1	0	353.470	1.873	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2-n2ccnn2)C1	ZINC001193998247	969967306	/nfs/dbraw/zinc/96/73/06/969967306.db2.gz	QRPWWUUSLSMACZ-UMVBOHGHSA-N	1	0	361.471	1.458	20	30		FDEDRO
CC(C)([NH3+])CN(C(=O)c1cncc(C#N)c1)S(=O)(=O)c1ccccc1	ZINC001194113631	969998160	/nfs/dbraw/zinc/99/81/60/969998160.db2.gz	OJSHYQBAURDQGF-UHFFFAOYSA-N	1	0	358.423	1.522	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC=CC[C@H]2C(F)(F)F)C1	ZINC001194118445	969998702	/nfs/dbraw/zinc/99/87/02/969998702.db2.gz	GOCBLYLSZJUOOX-KBUPBQIOSA-N	1	0	362.392	1.495	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(cc[nH]c3=O)n2)C1	ZINC001194283210	970108015	/nfs/dbraw/zinc/10/80/15/970108015.db2.gz	PTQWFKYCIHJXIP-QZTJIDSGSA-N	1	0	370.453	1.857	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1C[C@H]2CC[N@H+](C)[C@H]2C1	ZINC001194519696	970214365	/nfs/dbraw/zinc/21/43/65/970214365.db2.gz	SJUZFIZJGWXAKG-NUJGCVRESA-N	1	0	356.470	1.966	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Br)c[nH]2)C1	ZINC001194500676	970221496	/nfs/dbraw/zinc/22/14/96/970221496.db2.gz	USUQPHGEZGOTTR-ZLKJLUDKSA-N	1	0	356.264	1.907	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3cocc3C)C[C@H]2C)CC1	ZINC000957824271	1013971562	/nfs/dbraw/zinc/97/15/62/1013971562.db2.gz	ICOJQLQMWFNZMK-RDTXWAMCSA-N	1	0	357.454	1.510	20	30		FDEDRO
O=C(NCC[NH2+]Cc1cnn(Cc2ccccc2)c1)C1N=CC=CC1=O	ZINC000113361189	970410584	/nfs/dbraw/zinc/41/05/84/970410584.db2.gz	PDMMIXDAQLFWIS-HNENSFHCSA-N	1	0	351.410	1.547	20	30		FDEDRO
CC(C)COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(C#N)c1)C2	ZINC001110461912	970428102	/nfs/dbraw/zinc/42/81/02/970428102.db2.gz	NQSPSYXYRJKXPY-XDNAFOTISA-N	1	0	360.458	1.255	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](CCOCCC(C)C)C[C@H]1O	ZINC001195030593	970622238	/nfs/dbraw/zinc/62/22/38/970622238.db2.gz	SHJBNEGHVCHESX-ZHALLVOQSA-N	1	0	356.507	1.439	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OC)c(C)c1	ZINC001110465484	970659849	/nfs/dbraw/zinc/65/98/49/970659849.db2.gz	FVAGPMPTXBEDBX-KURKYZTESA-N	1	0	369.465	1.365	20	30		FDEDRO
COc1ncc(/C=C\C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cn1	ZINC000775794851	972575746	/nfs/dbraw/zinc/57/57/46/972575746.db2.gz	KTPFYPAXDORCFT-HJWRWDBZSA-N	1	0	365.437	1.960	20	30		FDEDRO
CC(=NN[C@H]1CCCS(=O)(=O)C1)c1ccc(OCC[NH+](C)C)cc1	ZINC000863130532	972672994	/nfs/dbraw/zinc/67/29/94/972672994.db2.gz	PXTSQAVYECKCRI-INIZCTEOSA-N	1	0	353.488	1.518	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1	ZINC000957955950	1014047410	/nfs/dbraw/zinc/04/74/10/1014047410.db2.gz	WEBFVHMHSJQHHW-QGPMSJSTSA-N	1	0	371.485	1.585	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CO[C@H](C)c2nccn2C)C1	ZINC001198234101	972925065	/nfs/dbraw/zinc/92/50/65/972925065.db2.gz	RQOSQPXWUBJGTF-BRWVUGGUSA-N	1	0	364.490	1.405	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]CCS(=O)(=O)Cc2ccccc2)CCOCC1	ZINC000863550991	973007420	/nfs/dbraw/zinc/00/74/20/973007420.db2.gz	HIRDASZGKYBBLY-KRWDZBQOSA-N	1	0	366.483	1.262	20	30		FDEDRO
C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+]C[C@H](O)CC1(C#N)CCOCC1	ZINC000863553576	973011031	/nfs/dbraw/zinc/01/10/31/973011031.db2.gz	FNAPXRCCQGLKNO-LSDHHAIUSA-N	1	0	355.479	1.951	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H](C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)C1CC1	ZINC000863553635	973011234	/nfs/dbraw/zinc/01/12/34/973011234.db2.gz	GUHFVDMMCPZOCX-CVEARBPZSA-N	1	0	367.490	1.951	20	30		FDEDRO
C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]C[C@@H](O)CC1(C#N)CCOCC1	ZINC000863558178	973015652	/nfs/dbraw/zinc/01/56/52/973015652.db2.gz	XUTYRXUVMBFBRK-KKUMJFAQSA-N	1	0	355.479	1.949	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)cc1	ZINC000863585248	973034673	/nfs/dbraw/zinc/03/46/73/973034673.db2.gz	SSPYISBNNRBAOB-UXHICEINSA-N	1	0	352.438	1.477	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)C1CCCC1	ZINC000863765993	973194217	/nfs/dbraw/zinc/19/42/17/973194217.db2.gz	YDUOGVOHKBYTKE-OCCSQVGLSA-N	1	0	359.392	1.377	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(CCCC)n2)C1	ZINC001198520963	973204858	/nfs/dbraw/zinc/20/48/58/973204858.db2.gz	UDOPFZJYXJNBDL-DJIMGWMZSA-N	1	0	362.474	1.173	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3ccccc3)n2)C1	ZINC001198508531	973235767	/nfs/dbraw/zinc/23/57/67/973235767.db2.gz	WJONAULPLHHEIT-BMGDILEWSA-N	1	0	355.442	1.397	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3ccccc3)n2)C1	ZINC001198508602	973236387	/nfs/dbraw/zinc/23/63/87/973236387.db2.gz	YEQBLPKFCIHWGA-RTBURBONSA-N	1	0	369.469	1.789	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCNC(=O)c2ccco2)C1	ZINC001198565335	973258037	/nfs/dbraw/zinc/25/80/37/973258037.db2.gz	WXEWGENDIGWFOP-BZUAXINKSA-N	1	0	363.458	1.306	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(-n3ccnc3)c2)C1	ZINC001198713719	973462345	/nfs/dbraw/zinc/46/23/45/973462345.db2.gz	FGEYAUALIWQZFD-DJIMGWMZSA-N	1	0	355.442	1.397	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](CO)[C@H](CCO)C2)c1C	ZINC001198754090	973483510	/nfs/dbraw/zinc/48/35/10/973483510.db2.gz	TXOQMGPVJOKBFP-QZTJIDSGSA-N	1	0	359.470	1.473	20	30		FDEDRO
C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CN(C)C[C@@H](C)O1)c1ccccc1OC	ZINC001198775129	973507665	/nfs/dbraw/zinc/50/76/65/973507665.db2.gz	FLTCWTBFFALBMO-HHXXYDBFSA-N	1	0	359.470	1.185	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2C3CC4CC(C3)CC2C4)C1	ZINC001198879486	973647255	/nfs/dbraw/zinc/64/72/55/973647255.db2.gz	GEBITCGVZMHJHW-SANICHENSA-N	1	0	362.514	1.813	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(OC)c(Cl)c2)C1	ZINC001198950174	973792068	/nfs/dbraw/zinc/79/20/68/973792068.db2.gz	LNJQCELQUFOLNE-NILFDRSVSA-N	1	0	353.850	1.873	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)N2CCCCC2=O)C1	ZINC001198991189	973815840	/nfs/dbraw/zinc/81/58/40/973815840.db2.gz	YGYJOKIZRIYAQX-GVDBMIGSSA-N	1	0	353.507	1.519	20	30		FDEDRO
C[NH+]1CCN(Cc2ccc(CNC(=O)[C@]3(C#N)CCCOC3)cc2)CC1	ZINC000864878989	973917781	/nfs/dbraw/zinc/91/77/81/973917781.db2.gz	BYGDYVXHANWLNP-FQEVSTJZSA-N	1	0	356.470	1.371	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)/C=C/CN1CCOCC1	ZINC000864910452	973941424	/nfs/dbraw/zinc/94/14/24/973941424.db2.gz	KFYBSZVGNYLJFD-ONEGZZNKSA-N	1	0	356.470	1.337	20	30		FDEDRO
CCO[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)[C@@H]1CCOC1	ZINC000865040539	974033555	/nfs/dbraw/zinc/03/35/55/974033555.db2.gz	RULPUFSPNGUZMM-RTBURBONSA-N	1	0	359.470	1.890	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@@H+](CCCCOc2ccccc2)C[C@H]1O	ZINC001199307328	974147072	/nfs/dbraw/zinc/14/70/72/974147072.db2.gz	INEJKIRZQFZCBW-RTBURBONSA-N	1	0	362.470	1.600	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@H+](CCCc2cccc(OC)c2)C[C@H]1O	ZINC001199308283	974148217	/nfs/dbraw/zinc/14/82/17/974148217.db2.gz	RBEGEIBFZVCXLP-RTBURBONSA-N	1	0	362.470	1.382	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCCCOc2ccccc2)C[C@H]1O	ZINC001199318009	974184858	/nfs/dbraw/zinc/18/48/58/974184858.db2.gz	IHVWMWCFNDFRSZ-QXAKKESOSA-N	1	0	362.470	1.598	20	30		FDEDRO
CC(C)CCO[C@H](C)C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O	ZINC001199330289	974195632	/nfs/dbraw/zinc/19/56/32/974195632.db2.gz	AEBKQGRIPOCEAK-MISYRCLQSA-N	1	0	358.482	1.651	20	30		FDEDRO
C=C(C)C[C@@H]1NC(=O)N(Cc2ccc(N3CC[NH+](CC)CC3)nc2)C1=O	ZINC000865297792	974216766	/nfs/dbraw/zinc/21/67/66/974216766.db2.gz	DJZQCALKEGWQBG-INIZCTEOSA-N	1	0	357.458	1.610	20	30		FDEDRO
C=C(Cl)C[C@H]1NC(=O)N(Cc2cccnc2N2CC[NH+](C)CC2)C1=O	ZINC000865300408	974219478	/nfs/dbraw/zinc/21/94/78/974219478.db2.gz	AZTMNBOQHSYMRS-CQSZACIVSA-N	1	0	363.849	1.396	20	30		FDEDRO
C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(NCC2CCOCC2)ncn1	ZINC001199440270	974284612	/nfs/dbraw/zinc/28/46/12/974284612.db2.gz	CLIVTLOOEATRGJ-INIZCTEOSA-N	1	0	359.474	1.695	20	30		FDEDRO
C#CC[C@H](CC(=O)N[C@@H]1CN(Cc2cncn2C)C[C@H]1O)c1ccccc1	ZINC001199505105	974325048	/nfs/dbraw/zinc/32/50/48/974325048.db2.gz	ADMVEESYRBMYKW-MISYRCLQSA-N	1	0	366.465	1.279	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)Nc2c(C)cccc2C)C1	ZINC001199567144	974373034	/nfs/dbraw/zinc/37/30/34/974373034.db2.gz	KMORNRXOYIQRRA-BRWVUGGUSA-N	1	0	359.470	1.758	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]2O)CCCC1	ZINC001199567497	974373055	/nfs/dbraw/zinc/37/30/55/974373055.db2.gz	QYTXVRPPWVRSFA-BZUAXINKSA-N	1	0	359.474	1.063	20	30		FDEDRO
CCOC(=O)CCNC(=S)Nc1sc2c(c1C#N)CCN(C)C2	ZINC001200160110	974678315	/nfs/dbraw/zinc/67/83/15/974678315.db2.gz	PKCGPHNSJPNKCI-UHFFFAOYSA-N	1	0	352.485	1.847	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCOCC(F)(F)F	ZINC001110552349	974756558	/nfs/dbraw/zinc/75/65/58/974756558.db2.gz	VQFHHFQQFMKPIS-YJNKXOJESA-N	1	0	362.392	1.715	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2CC(C)(C)C)CCCO1	ZINC001200549173	974816911	/nfs/dbraw/zinc/81/69/11/974816911.db2.gz	ZCNYJANZQYBSCK-GVDBMIGSSA-N	1	0	363.502	1.015	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)N[C@H](C)CCC)CC1	ZINC001200637421	974852523	/nfs/dbraw/zinc/85/25/23/974852523.db2.gz	UFJMZTVZAFKSLU-NXHRZFHOSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)N(CC)C2CC2)CC1	ZINC001200637586	974854329	/nfs/dbraw/zinc/85/43/29/974854329.db2.gz	ZISNOZFOERDWNU-MSOLQXFVSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)CCCO1	ZINC001200721430	974882122	/nfs/dbraw/zinc/88/21/22/974882122.db2.gz	LOONGEASQRDKQN-KSZLIROESA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)CCCO1	ZINC001200937558	974941858	/nfs/dbraw/zinc/94/18/58/974941858.db2.gz	KKZDGIAMUKNPLS-BZUAXINKSA-N	1	0	351.491	1.178	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC([NH2+]CC#Cc2ccc(F)cc2)CC1	ZINC001201102457	974959287	/nfs/dbraw/zinc/95/92/87/974959287.db2.gz	KUYBOWDRMRHGMI-KXBFYZLASA-N	1	0	360.429	1.562	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N2CCN(CCC[NH+](C)C)CC2)cc1C#N	ZINC001201310406	975003424	/nfs/dbraw/zinc/00/34/24/975003424.db2.gz	PPEWFSVBUWWQEC-UHFFFAOYSA-N	1	0	350.488	1.125	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1	ZINC000867386283	975008980	/nfs/dbraw/zinc/00/89/80/975008980.db2.gz	ILBXFFYQEUWFPS-IEBWSBKVSA-N	1	0	371.481	1.762	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2CC)CCCO1	ZINC001201446103	975063419	/nfs/dbraw/zinc/06/34/19/975063419.db2.gz	CHTZENCNAIUJKS-FGTMMUONSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1	ZINC000867404297	975149232	/nfs/dbraw/zinc/14/92/32/975149232.db2.gz	KWMMZCKAVZUXJT-OALUTQOASA-N	1	0	355.482	1.796	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnc(C(N)=O)n1)C2	ZINC001110576397	975256779	/nfs/dbraw/zinc/25/67/79/975256779.db2.gz	GNNDOVKLXKLMJD-KFWWJZLASA-N	1	0	362.478	1.069	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2CCC)CC1	ZINC001202389492	975297619	/nfs/dbraw/zinc/29/76/19/975297619.db2.gz	SJOQWDQSPCXOIK-UKRRQHHQSA-N	1	0	350.463	1.015	20	30		FDEDRO
C#C[C@@H]1CCCN(C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)C1	ZINC000847282088	975417096	/nfs/dbraw/zinc/41/70/96/975417096.db2.gz	KCHYYNQMNRNTBH-GOSISDBHSA-N	1	0	354.498	1.989	20	30		FDEDRO
C#CCN(C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1	ZINC000847378025	975553575	/nfs/dbraw/zinc/55/35/75/975553575.db2.gz	IPSJVZBWOHKSOF-ZWKOTPCHSA-N	1	0	360.479	1.157	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)CCn1cccn1	ZINC000866502701	975731213	/nfs/dbraw/zinc/73/12/13/975731213.db2.gz	LNVDNJOKBGJLOC-UHFFFAOYSA-N	1	0	361.471	1.148	20	30		FDEDRO
C[NH+](C)CCn1ccc(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)n1	ZINC000847626190	975930473	/nfs/dbraw/zinc/93/04/73/975930473.db2.gz	GCXCRQYOHAPNAV-SFHVURJKSA-N	1	0	353.426	1.530	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)CC1CCN(S(C)(=O)=O)CC1	ZINC000847664991	975955211	/nfs/dbraw/zinc/95/52/11/975955211.db2.gz	NXJACKOFSNUCLL-HNNXBMFYSA-N	1	0	358.504	1.325	20	30		FDEDRO
C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C)(C)[C@@H]1C#N	ZINC000867833185	976959189	/nfs/dbraw/zinc/95/91/89/976959189.db2.gz	XGRNDNBLIVCLKV-KBPBESRZSA-N	1	0	352.479	1.982	20	30		FDEDRO
N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)N1CC[NH+](C2CCOCC2)CC1	ZINC000867957941	977141831	/nfs/dbraw/zinc/14/18/31/977141831.db2.gz	DGEHPNHCIMDUOS-IBGZPJMESA-N	1	0	354.454	1.068	20	30		FDEDRO
CN(C)C(NCc1ccccc1)=[NH+]C[C@@H](O)COc1ccc2c(c1)OCO2	ZINC000849068529	977300830	/nfs/dbraw/zinc/30/08/30/977300830.db2.gz	NROIQDKTWOYKLK-MRXNPFEDSA-N	1	0	371.437	1.862	20	30		FDEDRO
CCOC(=O)c1ccc(N2CC(NC(NCc3ccco3)=[NH+]C)C2)nc1	ZINC000849078506	977306427	/nfs/dbraw/zinc/30/64/27/977306427.db2.gz	AIHIBFWJFSFIAW-UHFFFAOYSA-N	1	0	357.414	1.405	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1	ZINC000868132143	977311961	/nfs/dbraw/zinc/31/19/61/977311961.db2.gz	GAUCMERCLICEQW-YUELXQCFSA-N	1	0	359.361	1.096	20	30		FDEDRO
Cc1nccnc1CCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000849113635	977324917	/nfs/dbraw/zinc/32/49/17/977324917.db2.gz	XUFKIZBXNOTJLP-CQSZACIVSA-N	1	0	360.462	1.208	20	30		FDEDRO
Cc1cccnc1CCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000849115568	977327728	/nfs/dbraw/zinc/32/77/28/977327728.db2.gz	ZCGYYCLDTVOCTA-HNNXBMFYSA-N	1	0	359.474	1.813	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)c1	ZINC000868311624	977490118	/nfs/dbraw/zinc/49/01/18/977490118.db2.gz	YZPDYVSSUOKXNU-HXUWFJFHSA-N	1	0	357.454	1.861	20	30		FDEDRO
COc1ccc(CNC(=O)N2CCC([NH+]3CCN(C)CC3)CC2)cc1C#N	ZINC000868427722	977642582	/nfs/dbraw/zinc/64/25/82/977642582.db2.gz	XWCFGEUFYSLHTF-UHFFFAOYSA-N	1	0	371.485	1.488	20	30		FDEDRO
COc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)cc1C#N	ZINC000849563683	977756512	/nfs/dbraw/zinc/75/65/12/977756512.db2.gz	MAJZOIOKLMVQFA-MSOLQXFVSA-N	1	0	367.453	1.652	20	30		FDEDRO
Cc1[nH]nc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1C#N	ZINC000849612198	977848480	/nfs/dbraw/zinc/84/84/80/977848480.db2.gz	GMHAPVZGQRRWMZ-GOEBONIOSA-N	1	0	355.446	1.776	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1C[C@H](NC(=O)OC(C)(C)C)C[C@H]1C	ZINC000868654303	977871849	/nfs/dbraw/zinc/87/18/49/977871849.db2.gz	YYHLXKWEOVKCLL-HUUCEWRRSA-N	1	0	352.479	1.639	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21	ZINC000850455165	978379020	/nfs/dbraw/zinc/37/90/20/978379020.db2.gz	XHBFRSYPVPAHRJ-AWEZNQCLSA-N	1	0	355.360	1.914	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1	ZINC000850666233	978582905	/nfs/dbraw/zinc/58/29/05/978582905.db2.gz	GEKJZYMRQOLUOJ-INIZCTEOSA-N	1	0	357.454	1.874	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1)C1CCOCC1	ZINC000850687361	978610289	/nfs/dbraw/zinc/61/02/89/978610289.db2.gz	WPFXCDWQUJESSC-SFHVURJKSA-N	1	0	373.453	1.110	20	30		FDEDRO
C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1	ZINC000850709117	978635401	/nfs/dbraw/zinc/63/54/01/978635401.db2.gz	GUJOKHULZMYVMW-MRXNPFEDSA-N	1	0	374.485	1.066	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1	ZINC000850831566	978688654	/nfs/dbraw/zinc/68/86/54/978688654.db2.gz	YGYQWBCICRKRHT-QGZVFWFLSA-N	1	0	369.465	1.875	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(c2cc(F)ncn2)CC1	ZINC001110630135	978875665	/nfs/dbraw/zinc/87/56/65/978875665.db2.gz	NGKYPCVOCIIZPG-GDBMZVCRSA-N	1	0	359.449	1.387	20	30		FDEDRO
C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	ZINC000851685962	978997537	/nfs/dbraw/zinc/99/75/37/978997537.db2.gz	XQFPGYYHPUKEJX-LBPRGKRZSA-N	1	0	356.451	1.627	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1CN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC000968006463	1014550481	/nfs/dbraw/zinc/55/04/81/1014550481.db2.gz	ZWMQZJZCOYEMIA-SJORKVTESA-N	1	0	361.486	1.123	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)CN1CC[NH+](CCCOC(C)(C)C)CC1	ZINC000880412539	979171948	/nfs/dbraw/zinc/17/19/48/979171948.db2.gz	UUVIZZNABJELKK-IBGZPJMESA-N	1	0	352.523	1.864	20	30		FDEDRO
CO[C@@H]1COCC[C@@H]1[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N	ZINC000880431170	979190779	/nfs/dbraw/zinc/19/07/79/979190779.db2.gz	SSTCUGNHWFFYPR-FHLIZLRMSA-N	1	0	366.421	1.959	20	30		FDEDRO
C#CCC1(O)CC[NH+](CC(=O)N2CCN(Cc3ccccc3)CC2)CC1	ZINC000880478427	979219490	/nfs/dbraw/zinc/21/94/90/979219490.db2.gz	DTEUGFAQECXMJJ-UHFFFAOYSA-N	1	0	355.482	1.181	20	30		FDEDRO
C#CCC1(O)CC[NH+]([C@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)CC1	ZINC000880482030	979222998	/nfs/dbraw/zinc/22/29/98/979222998.db2.gz	VOCFFJRNICVRIH-HZPDHXFCSA-N	1	0	358.438	1.181	20	30		FDEDRO
C#C[C@](C)(CC)[NH2+]CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1	ZINC000852099993	979350083	/nfs/dbraw/zinc/35/00/83/979350083.db2.gz	FHSKKBPWQDCPGE-QGZVFWFLSA-N	1	0	351.472	1.575	20	30		FDEDRO
C#C[C@@](C)(CC)[NH2+][C@@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC	ZINC000852102128	979351039	/nfs/dbraw/zinc/35/10/39/979351039.db2.gz	WANZXJAEYZERTB-BUXKBTBVSA-N	1	0	360.410	1.978	20	30		FDEDRO
C#C[C@](C)(CC)[NH2+]CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O	ZINC000852102625	979351295	/nfs/dbraw/zinc/35/12/95/979351295.db2.gz	ZWRSACPRYWIHGQ-UXHICEINSA-N	1	0	370.453	1.352	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC(N(CC)C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nc1	ZINC000968014621	1014574390	/nfs/dbraw/zinc/57/43/90/1014574390.db2.gz	XTSVXVMIPSGFMB-PKOBYXMFSA-N	1	0	368.481	1.466	20	30		FDEDRO
COc1ccc(NC(=O)N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)cc1C#N	ZINC000880881484	979509352	/nfs/dbraw/zinc/50/93/52/979509352.db2.gz	FGHUGEGWMULLCR-MRXNPFEDSA-N	1	0	371.441	1.385	20	30		FDEDRO
C=CCNC(=O)CNC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000881133518	979708644	/nfs/dbraw/zinc/70/86/44/979708644.db2.gz	XHCZYLNSCALXKK-KRWDZBQOSA-N	1	0	357.458	1.395	20	30		FDEDRO
Cc1cccc([C@H](O)CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)c1	ZINC000128870265	979743612	/nfs/dbraw/zinc/74/36/12/979743612.db2.gz	NCHRHLOOQOKYGR-IAGOWNOFSA-N	1	0	374.485	1.909	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1	ZINC000881623788	980019627	/nfs/dbraw/zinc/01/96/27/980019627.db2.gz	RMBRULQNNUUQQL-UHFFFAOYSA-N	1	0	372.469	1.592	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1	ZINC000882620863	980760981	/nfs/dbraw/zinc/76/09/81/980760981.db2.gz	YHCTXGNHBDGKHS-CQSZACIVSA-N	1	0	372.450	1.861	20	30		FDEDRO
C=C(C)C[C@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)C(=O)OCC	ZINC000882644647	980786537	/nfs/dbraw/zinc/78/65/37/980786537.db2.gz	MXVVGPZGUGZGLO-INIZCTEOSA-N	1	0	354.472	1.924	20	30		FDEDRO
N#Cc1cnc(NCCC[N@H+]2CCC[C@H]2C(N)=O)c(Br)c1	ZINC000882651833	980793526	/nfs/dbraw/zinc/79/35/26/980793526.db2.gz	WKCZMDFSABQXCL-LBPRGKRZSA-N	1	0	352.236	1.467	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)CC1	ZINC000883046235	981910476	/nfs/dbraw/zinc/91/04/76/981910476.db2.gz	CKHTXYLYAGUEQY-IAGOWNOFSA-N	1	0	368.399	1.982	20	30		FDEDRO
C=C(C)C[C@H](CO)NC(=O)NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C	ZINC000883055890	981916492	/nfs/dbraw/zinc/91/64/92/981916492.db2.gz	VVVWXUBKQKZYMH-CVEARBPZSA-N	1	0	365.474	1.933	20	30		FDEDRO
C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H]1COCCN1C	ZINC000858275491	981955020	/nfs/dbraw/zinc/95/50/20/981955020.db2.gz	ASBWXPBVFVPMIG-OAHLLOKOSA-N	1	0	353.260	1.881	20	30		FDEDRO
C#CC[C@@H](CO)[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC	ZINC000883125183	981965379	/nfs/dbraw/zinc/96/53/79/981965379.db2.gz	BEBLLTQYLKZKJK-FZMZJTMJSA-N	1	0	369.259	1.436	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1C[C@H]2CN(C(C)=O)C[C@H]2C1)C(C)C	ZINC000883130828	981968728	/nfs/dbraw/zinc/96/87/28/981968728.db2.gz	UBNXYQPYGNIECY-OTWHNJEPSA-N	1	0	362.518	1.805	20	30		FDEDRO
C#CC[N@H+](C)CCCNCc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl	ZINC000883131796	981969911	/nfs/dbraw/zinc/96/99/11/981969911.db2.gz	SQDFCYRDAPBAIB-AWEZNQCLSA-N	1	0	372.922	1.249	20	30		FDEDRO
C=CCC[C@H]([NH2+]Cc1nnc2n1CCNC2=O)[C@H]1Cc2ccccc2O1	ZINC000883304717	982061828	/nfs/dbraw/zinc/06/18/28/982061828.db2.gz	DJMZATYPMDJTRG-GOEBONIOSA-N	1	0	353.426	1.450	20	30		FDEDRO
C=CCC[C@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1)[C@@H]1CCCO1	ZINC000883371342	982100011	/nfs/dbraw/zinc/10/00/11/982100011.db2.gz	HDWRWSALVASVRT-AABGKKOBSA-N	1	0	351.535	1.886	20	30		FDEDRO
C#CCOc1ccccc1C[NH2+][C@H]1CCCN(CCN2CCOCC2)C1	ZINC000883372041	982101366	/nfs/dbraw/zinc/10/13/66/982101366.db2.gz	JTTUSZVBWFCOCE-FQEVSTJZSA-N	1	0	357.498	1.585	20	30		FDEDRO
C=CCCOCCNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1	ZINC000883537224	982252757	/nfs/dbraw/zinc/25/27/57/982252757.db2.gz	IGTFWTKICCPFII-UHFFFAOYSA-N	1	0	352.479	1.095	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)NCc2ccncc2OCCC[NH+](C)C)CC1	ZINC000883699988	982393658	/nfs/dbraw/zinc/39/36/58/982393658.db2.gz	YQCYJOFTXAAFAJ-UHFFFAOYSA-N	1	0	374.485	1.472	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000883751241	982438442	/nfs/dbraw/zinc/43/84/42/982438442.db2.gz	DOSOBZCCXVMCJX-HKUYNNGSSA-N	1	0	358.486	1.829	20	30		FDEDRO
CC(C)CNC(=O)C1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1	ZINC000859058423	982491762	/nfs/dbraw/zinc/49/17/62/982491762.db2.gz	VUNFZQKCHRVCBG-QGZVFWFLSA-N	1	0	351.491	1.542	20	30		FDEDRO
CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000859111777	982539403	/nfs/dbraw/zinc/53/94/03/982539403.db2.gz	GEXMRWQEHLNQNJ-JKSUJKDBSA-N	1	0	367.490	1.904	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]CCCCCn2cncn2)CC1	ZINC001202559850	982559179	/nfs/dbraw/zinc/55/91/79/982559179.db2.gz	QOSHHEWHHVJWFE-MSOLQXFVSA-N	1	0	361.490	1.620	20	30		FDEDRO
C=CC[C@@H](CO)NC(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000883874206	982576150	/nfs/dbraw/zinc/57/61/50/982576150.db2.gz	OPIUDEZGFLKXPU-SFHVURJKSA-N	1	0	361.486	1.640	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1	ZINC000859172180	982595959	/nfs/dbraw/zinc/59/59/59/982595959.db2.gz	MDCAZSHHOWTOOW-UHFFFAOYSA-N	1	0	373.862	1.752	20	30		FDEDRO
COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000859302020	982696188	/nfs/dbraw/zinc/69/61/88/982696188.db2.gz	LVNZOLTVIRFKNT-IUODEOHRSA-N	1	0	364.364	1.485	20	30		FDEDRO
Cc1nc(CN2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CC2)cs1	ZINC000884007119	982698132	/nfs/dbraw/zinc/69/81/32/982698132.db2.gz	PSUUIWTUKWXURN-CSLYMUCUSA-N	1	0	359.499	1.235	20	30		FDEDRO
C[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccc(-n2cncn2)cc1	ZINC000884058606	982787133	/nfs/dbraw/zinc/78/71/33/982787133.db2.gz	PIQZKTICJDHKPE-NOFHKNGASA-N	1	0	350.426	1.584	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCNC(=O)c1ccccc1Cl)C2	ZINC000884066856	982813576	/nfs/dbraw/zinc/81/35/76/982813576.db2.gz	LRWBVXJGERDHST-YNAXMUEKSA-N	1	0	360.845	1.325	20	30		FDEDRO
CC(C)(CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccc2c(c1)OCO2	ZINC000884112143	982885290	/nfs/dbraw/zinc/88/52/90/982885290.db2.gz	CKOREOIMGMAFIQ-LXDLAPCHSA-N	1	0	355.438	1.948	20	30		FDEDRO
COC(=O)[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1cc(F)ccc1F	ZINC000884122681	982904779	/nfs/dbraw/zinc/90/47/79/982904779.db2.gz	XCHRFAYTQIMMDY-BGVJHAMYSA-N	1	0	363.364	1.434	20	30		FDEDRO
CN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[C@@H]1CCN(c2ccccc2)C1=O	ZINC000884126458	982907618	/nfs/dbraw/zinc/90/76/18/982907618.db2.gz	AKUDCJHNZZRTHU-WAGVIYRNSA-N	1	0	352.438	1.390	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NCCCc2nnc3n2CCCCC3)C1	ZINC000884127324	982908370	/nfs/dbraw/zinc/90/83/70/982908370.db2.gz	AYHXEJMKLORILT-INIZCTEOSA-N	1	0	358.490	1.334	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1	ZINC000884145188	982925889	/nfs/dbraw/zinc/92/58/89/982925889.db2.gz	DWXBHLVVOOBSBS-QMMMGPOBSA-N	1	0	362.270	1.776	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H](CN(C)C(=O)C2(C#N)CCOCC2)[C@@H]1c1cnn(C)c1	ZINC000331705217	982929922	/nfs/dbraw/zinc/92/99/22/982929922.db2.gz	ANAGZOINIXNTJF-FUHWJXTLSA-N	1	0	373.501	1.972	20	30		FDEDRO
COCCN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccc(OC)c(OC)c1	ZINC000884153422	982931994	/nfs/dbraw/zinc/93/19/94/982931994.db2.gz	KNJKGBFAOUXNEP-RDYUPDBUSA-N	1	0	373.453	1.823	20	30		FDEDRO
C[C@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c2ccccc2N(C)C1=O	ZINC000884155305	982932901	/nfs/dbraw/zinc/93/29/01/982932901.db2.gz	ZHCCPBJFSSHXOD-UTFQJDELSA-N	1	0	352.438	1.771	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@H]1CCN(c3ccc(F)cc3)C1)C2	ZINC000884200082	982975469	/nfs/dbraw/zinc/97/54/69/982975469.db2.gz	RWUGNBYNBGDDOL-OXJONJSCSA-N	1	0	356.445	1.908	20	30		FDEDRO
CC[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1nnc2n1CCCCC2	ZINC000884208460	982984593	/nfs/dbraw/zinc/98/45/93/982984593.db2.gz	APECJKAMLLOTHO-UARSRXHTSA-N	1	0	356.474	1.711	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCN(c3cc(F)ccc3F)CC1)C2	ZINC000884221588	982995621	/nfs/dbraw/zinc/99/56/21/982995621.db2.gz	VNVBILOEMWCPCT-BIWSTMPVSA-N	1	0	360.408	1.753	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)nc1	ZINC000859759752	983003363	/nfs/dbraw/zinc/00/33/63/983003363.db2.gz	XNQMFPYIGPLWKG-UHFFFAOYSA-N	1	0	352.398	1.669	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1	ZINC000884230415	983004318	/nfs/dbraw/zinc/00/43/18/983004318.db2.gz	RAASIQOQKAEVGM-AEFFLSMTSA-N	1	0	359.470	1.556	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C1	ZINC000884261603	983036272	/nfs/dbraw/zinc/03/62/72/983036272.db2.gz	PJSCKOOYOHUVKK-PMACEKPBSA-N	1	0	370.497	1.150	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@H](C(N)=O)[C@@H](c2cnn(C)c2)C1	ZINC000332403928	983047620	/nfs/dbraw/zinc/04/76/20/983047620.db2.gz	LDFGIMKYGNLGOF-TXPWEPMLSA-N	1	0	360.462	1.414	20	30		FDEDRO
COc1cc2c(cc1CNC(=O)C1CC3(C1)C[NH2+]C[C@@H]3C#N)O[C@@H](C)C2	ZINC000884305729	983070373	/nfs/dbraw/zinc/07/03/73/983070373.db2.gz	GCRJSUZVEUYAFF-SUNNNVNVSA-N	1	0	355.438	1.774	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N(Cc1ccncc1)C[C@@H]1CCCO1)C2	ZINC000884308369	983072375	/nfs/dbraw/zinc/07/23/75/983072375.db2.gz	NSDLROCZDKGHPL-NNVNDSJASA-N	1	0	354.454	1.729	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCCN(c3ccccc3F)C1=O)C2	ZINC000884321713	983082610	/nfs/dbraw/zinc/08/26/10/983082610.db2.gz	WFMBREYRBVGRDL-WUEBVRTOSA-N	1	0	370.428	1.577	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCS(=O)(=O)C1)C2	ZINC001110783125	983292016	/nfs/dbraw/zinc/29/20/16/983292016.db2.gz	YGICCHKNDQTFMM-HZMVEIRTSA-N	1	0	354.516	1.889	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3[nH]ccc3n1)C2	ZINC001110803155	983785150	/nfs/dbraw/zinc/78/51/50/983785150.db2.gz	GSEHFXVIIYVTRJ-HLNSBACISA-N	1	0	367.453	1.589	20	30		FDEDRO
COc1ccc(CNC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1C#N	ZINC000861614360	983792194	/nfs/dbraw/zinc/79/21/94/983792194.db2.gz	JMZHZHGBUUWWBY-GOSISDBHSA-N	1	0	372.469	1.867	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)COC(=O)N3)CC1	ZINC000861741407	983888199	/nfs/dbraw/zinc/88/81/99/983888199.db2.gz	MRJCQJCDHCQMFQ-UHFFFAOYSA-N	1	0	372.425	1.844	20	30		FDEDRO
O=C(N[C@H]1CCCN(O)C1=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2	ZINC000861827329	983943007	/nfs/dbraw/zinc/94/30/07/983943007.db2.gz	IBDGKFCGGGSPFN-SJORKVTESA-N	1	0	357.454	1.785	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(OC)c2ccccc12	ZINC000861872492	983967236	/nfs/dbraw/zinc/96/72/36/983967236.db2.gz	RMAQQCQIWWTKJZ-UHFFFAOYSA-N	1	0	353.422	1.858	20	30		FDEDRO
C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1	ZINC000861978534	984019391	/nfs/dbraw/zinc/01/93/91/984019391.db2.gz	WVVFHNBBYYPNHV-MRXNPFEDSA-N	1	0	356.470	1.802	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1OC	ZINC000862188312	984219678	/nfs/dbraw/zinc/21/96/78/984219678.db2.gz	QJXAHDFMMLYQSC-HNNXBMFYSA-N	1	0	361.442	1.240	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1	ZINC000862198828	984238755	/nfs/dbraw/zinc/23/87/55/984238755.db2.gz	BLQZNFYJLRXJRG-GOSISDBHSA-N	1	0	357.454	1.418	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncc3cc(C)cnc31)C2	ZINC001110820371	984394275	/nfs/dbraw/zinc/39/42/75/984394275.db2.gz	VYKLJBNXPXYCDX-KURKYZTESA-N	1	0	369.469	1.664	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)cc1	ZINC000884730620	984736327	/nfs/dbraw/zinc/73/63/27/984736327.db2.gz	LNIVCIUTHLLLLZ-IBGZPJMESA-N	1	0	362.433	1.200	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1	ZINC000884855762	984893530	/nfs/dbraw/zinc/89/35/30/984893530.db2.gz	PVDJFRQZGLJSTF-IRXDYDNUSA-N	1	0	365.518	1.840	20	30		FDEDRO
N#C[C@]1(C(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)CCCOC1	ZINC000869141794	984908554	/nfs/dbraw/zinc/90/85/54/984908554.db2.gz	DPZRRNPQMHMRPZ-SFHLNBCPSA-N	1	0	369.465	1.809	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1	ZINC000884923310	984972052	/nfs/dbraw/zinc/97/20/52/984972052.db2.gz	MKQIXZROOQTPOR-JCNLHEQBSA-N	1	0	359.470	1.844	20	30		FDEDRO
N#CCCc1ccc(S(=O)(=O)NCCCC[N@H+]2CCC[C@@H]2CO)cc1	ZINC000885024683	985105907	/nfs/dbraw/zinc/10/59/07/985105907.db2.gz	DTPNWUPBXBXFCA-QGZVFWFLSA-N	1	0	365.499	1.658	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)c2ccc(CCC#N)cc2)CCN1CC(C)(C)O	ZINC000885125860	985190619	/nfs/dbraw/zinc/19/06/19/985190619.db2.gz	OXIXVKMXKNPQDN-HNNXBMFYSA-N	1	0	365.499	1.608	20	30		FDEDRO
C=CCNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1	ZINC001114452231	985477125	/nfs/dbraw/zinc/47/71/25/985477125.db2.gz	CKSPTAJMHZHWSH-TYZHSBRISA-N	1	0	367.493	1.919	20	30		FDEDRO
C[C@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)c1ccc(F)cc1C#N	ZINC000885848469	985696398	/nfs/dbraw/zinc/69/63/98/985696398.db2.gz	VGYZBNCSTTWBKL-ZDUSSCGKSA-N	1	0	360.414	1.992	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)C1	ZINC000870211947	985805703	/nfs/dbraw/zinc/80/57/03/985805703.db2.gz	GRVNNBXSLYSNHE-QGZVFWFLSA-N	1	0	364.425	1.269	20	30		FDEDRO
CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)C[C@@H](O)CC2(C#N)CCC2)C1	ZINC000885979617	985816464	/nfs/dbraw/zinc/81/64/64/985816464.db2.gz	IADFVBZBBGODHZ-HOTGVXAUSA-N	1	0	365.474	1.165	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCC(S(=O)(=O)N2CCCCC2)CC1	ZINC000886167554	985936469	/nfs/dbraw/zinc/93/64/69/985936469.db2.gz	RTYUKMBCEPVSOI-UHFFFAOYSA-N	1	0	357.520	1.301	20	30		FDEDRO
CN1CCOC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1	ZINC001095335996	986010560	/nfs/dbraw/zinc/01/05/60/986010560.db2.gz	JZDKWKSODVSBMY-YDZRNGNQSA-N	1	0	354.454	1.110	20	30		FDEDRO
CN(C)S(=O)(=O)C1(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC000886321016	986065724	/nfs/dbraw/zinc/06/57/24/986065724.db2.gz	OWAKLOJPRIEIFD-UHFFFAOYSA-N	1	0	373.482	1.472	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@](COC)(C(=O)OC(C)(C)C)C2)CC1	ZINC000870518212	986079154	/nfs/dbraw/zinc/07/91/54/986079154.db2.gz	MNLPSIRSVDSTAK-FQEVSTJZSA-N	1	0	364.486	1.538	20	30		FDEDRO
C#CC[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1	ZINC000886356253	986094679	/nfs/dbraw/zinc/09/46/79/986094679.db2.gz	WZEOYWSCTSHLTG-MRXNPFEDSA-N	1	0	359.445	1.624	20	30		FDEDRO
C#CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1	ZINC000886359697	986097354	/nfs/dbraw/zinc/09/73/54/986097354.db2.gz	ILJKZDUEJVYWNK-HUUCEWRRSA-N	1	0	363.483	1.609	20	30		FDEDRO
C#CC[C@H]1CC[N@@H+](C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1	ZINC000886363834	986102662	/nfs/dbraw/zinc/10/26/62/986102662.db2.gz	FHMBYNHRLQEJDY-ICSRJNTNSA-N	1	0	357.498	1.523	20	30		FDEDRO
CN(C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)[C@H]1CCC[C@H]1C#N	ZINC000870669123	986215130	/nfs/dbraw/zinc/21/51/30/986215130.db2.gz	OTSAVOMHOMQGAR-KKUMJFAQSA-N	1	0	352.479	1.982	20	30		FDEDRO
C#CCN(C(=O)[C@H](C[C@@H]1COCCO1)C(F)(F)F)C1CC[NH+](C)CC1	ZINC000886573466	986372433	/nfs/dbraw/zinc/37/24/33/986372433.db2.gz	JRCBJUAAHIXBRO-CABCVRRESA-N	1	0	362.392	1.526	20	30		FDEDRO
C#CCN(C(=O)c1nnn(Cc2ccncc2)c1C)C1CC[NH+](C)CC1	ZINC000886576025	986375795	/nfs/dbraw/zinc/37/57/95/986375795.db2.gz	UKYJBOLHGSBLMU-UHFFFAOYSA-N	1	0	352.442	1.199	20	30		FDEDRO
C#CCN(C(=O)c1ccc2c(c1)NC(=O)[C@H](C)N2C)C1CC[NH+](C)CC1	ZINC000886580061	986382262	/nfs/dbraw/zinc/38/22/62/986382262.db2.gz	UCLNHLFMJOBJTA-AWEZNQCLSA-N	1	0	354.454	1.633	20	30		FDEDRO
C#CCN(C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1)C1CC[NH+](C)CC1	ZINC000886580924	986383343	/nfs/dbraw/zinc/38/33/43/986383343.db2.gz	CPIMGDYHUGKONI-UHFFFAOYSA-N	1	0	365.437	1.141	20	30		FDEDRO
C#CCN(C(=O)CCn1cc(Br)cn1)C1CC[NH+](C)CC1	ZINC000886583133	986387363	/nfs/dbraw/zinc/38/73/63/986387363.db2.gz	CGKJILWQHILSDN-UHFFFAOYSA-N	1	0	353.264	1.592	20	30		FDEDRO
C#CCN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1	ZINC000886583161	986387481	/nfs/dbraw/zinc/38/74/81/986387481.db2.gz	DRYJHQVNVUHBGV-UHFFFAOYSA-N	1	0	367.409	1.950	20	30		FDEDRO
C#CCN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1	ZINC000886587127	986391735	/nfs/dbraw/zinc/39/17/35/986391735.db2.gz	HYPIGLDYEYDZTQ-UHFFFAOYSA-N	1	0	368.397	1.345	20	30		FDEDRO
C#CCN(C(=O)CSc1nnnn1C1CCCC1)C1CC[NH+](C)CC1	ZINC000886585359	986391792	/nfs/dbraw/zinc/39/17/92/986391792.db2.gz	SGJIMHKJHBPTCC-UHFFFAOYSA-N	1	0	362.503	1.436	20	30		FDEDRO
C=CCC[C@@H]([NH2+]Cc1nnc2c(=O)[nH]ccn12)[C@@H]1Cc2ccccc2O1	ZINC000886705929	986489405	/nfs/dbraw/zinc/48/94/05/986489405.db2.gz	FLNSYPZOJUJPPC-ZBFHGGJFSA-N	1	0	351.410	1.846	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2ccnc(N3CCSCC3)c2)CC1	ZINC000870992350	986565623	/nfs/dbraw/zinc/56/56/23/986565623.db2.gz	QFHDJWSGNLRLKY-UHFFFAOYSA-N	1	0	358.511	1.596	20	30		FDEDRO
Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1	ZINC000871048075	986615095	/nfs/dbraw/zinc/61/50/95/986615095.db2.gz	NXIJAYCYHJGGPP-WBVHZDCISA-N	1	0	352.442	1.796	20	30		FDEDRO
C=CCn1c(-c2cc[nH]n2)nnc1N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000871051126	986617481	/nfs/dbraw/zinc/61/74/81/986617481.db2.gz	PSESSLJLUKQADW-UHFFFAOYSA-N	1	0	356.478	1.070	20	30		FDEDRO
C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1	ZINC000871099848	986668270	/nfs/dbraw/zinc/66/82/70/986668270.db2.gz	HFYXHFIPFDMTEN-GJZGRUSLSA-N	1	0	356.478	1.489	20	30		FDEDRO
C#CCN(C)c1nnc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1Cc1cc(C)on1	ZINC000871333253	986904124	/nfs/dbraw/zinc/90/41/24/986904124.db2.gz	HTGFSTRHTSXXOG-CVEARBPZSA-N	1	0	356.430	1.228	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](O)C1	ZINC000968546102	1015264530	/nfs/dbraw/zinc/26/45/30/1015264530.db2.gz	YTTDPDBEWOMHFE-FUHIMQAGSA-N	1	0	370.453	1.547	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1	ZINC000871804480	987249594	/nfs/dbraw/zinc/24/95/94/987249594.db2.gz	BRZRKUPSMSRWHQ-BRWVUGGUSA-N	1	0	363.483	1.916	20	30		FDEDRO
CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+][C@@H]1Cc2ccc(C#N)cc2C1	ZINC000872237950	987535579	/nfs/dbraw/zinc/53/55/79/987535579.db2.gz	BZMKVISKQDZGFR-MRXNPFEDSA-N	1	0	364.467	1.372	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)CCOCC1	ZINC000872248451	987541264	/nfs/dbraw/zinc/54/12/64/987541264.db2.gz	USWPCOQOXZIWMF-SJORKVTESA-N	1	0	352.862	1.904	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CC[N@@H+]1CCNC(=O)CC12CCOCC2	ZINC000872286317	987571758	/nfs/dbraw/zinc/57/17/58/987571758.db2.gz	ZJEKPVZJJQKMLQ-UHFFFAOYSA-N	1	0	356.426	1.258	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N2CCC(N3CC[NH+](C)CC3)CC2)c(C#N)c1	ZINC000872511570	987735560	/nfs/dbraw/zinc/73/55/60/987735560.db2.gz	HHYWTFMJDGNEBH-UHFFFAOYSA-N	1	0	362.499	1.267	20	30		FDEDRO
CN(CCc1cccc(C#N)c1)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O	ZINC000872706187	987993170	/nfs/dbraw/zinc/99/31/70/987993170.db2.gz	XEFGGIRIXFIOTC-UHFFFAOYSA-N	1	0	355.442	1.006	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2	ZINC000293225844	987996711	/nfs/dbraw/zinc/99/67/11/987996711.db2.gz	DOTGCJLTYWFQGY-LJQANCHMSA-N	1	0	356.426	1.450	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CN(CN3CC(=O)N(Cc4ccccc4C#N)C3=O)CC[C@@H]21	ZINC000872726858	988013831	/nfs/dbraw/zinc/01/38/31/988013831.db2.gz	WUQLHJVTENLANM-ROUUACIJSA-N	1	0	367.453	1.306	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC[N@@H+](C2CCC2)C1	ZINC000293367442	988052724	/nfs/dbraw/zinc/05/27/24/988052724.db2.gz	HEPZHHYCXRNIHW-CYBMUJFWSA-N	1	0	358.417	1.969	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC000872889326	988242433	/nfs/dbraw/zinc/24/24/33/988242433.db2.gz	XXHYUTFEJNCLSU-KRWDZBQOSA-N	1	0	356.474	1.659	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCO[C@H]([C@@H]3COC(C)(C)O3)C2)CC1	ZINC000872902948	988264673	/nfs/dbraw/zinc/26/46/73/988264673.db2.gz	RTBGITUAADUJLI-HOTGVXAUSA-N	1	0	353.463	1.199	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)CC2)C1	ZINC000366201139	988534514	/nfs/dbraw/zinc/53/45/14/988534514.db2.gz	HJOQENOXKYFOLQ-UXHICEINSA-N	1	0	365.481	1.479	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1Cl	ZINC000873102836	988550085	/nfs/dbraw/zinc/55/00/85/988550085.db2.gz	AZYAMCVSAZCDTJ-GXSJLCMTSA-N	1	0	374.750	1.746	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1	ZINC000873104610	988557653	/nfs/dbraw/zinc/55/76/53/988557653.db2.gz	OSILAAWMXDGDCD-SMDDNHRTSA-N	1	0	369.343	1.233	20	30		FDEDRO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1	ZINC000366434620	988696092	/nfs/dbraw/zinc/69/60/92/988696092.db2.gz	LAGCEPTUMABVGM-BHYGNILZSA-N	1	0	368.437	1.225	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1	ZINC000366706605	988753181	/nfs/dbraw/zinc/75/31/81/988753181.db2.gz	ZWLWNSADEPJUJW-QRVBRYPASA-N	1	0	364.534	1.779	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)C[C@H]3CC[N@H+](C)C3)C2)n1	ZINC000362880574	988759655	/nfs/dbraw/zinc/75/96/55/988759655.db2.gz	LSDTZXHYDDCSIN-WMZOPIPTSA-N	1	0	355.486	1.888	20	30		FDEDRO
N#Cc1ccccc1/C=C/C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000362947731	988790048	/nfs/dbraw/zinc/79/00/48/988790048.db2.gz	MYROGEZYFXDQNC-LKGOPFMKSA-N	1	0	352.438	1.512	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1	ZINC000367252266	988943078	/nfs/dbraw/zinc/94/30/78/988943078.db2.gz	LOOQCWSKHIYWGT-IEBWSBKVSA-N	1	0	372.469	1.574	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)cc1	ZINC000367370573	988947258	/nfs/dbraw/zinc/94/72/58/988947258.db2.gz	DSFXCUCPKXMBHY-UHFFFAOYSA-N	1	0	372.450	1.444	20	30		FDEDRO
CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(OC)c(C#N)c1	ZINC000873712453	989042026	/nfs/dbraw/zinc/04/20/26/989042026.db2.gz	YWDOTDDZROPVAF-INIZCTEOSA-N	1	0	358.442	1.886	20	30		FDEDRO
C[NH+]1CCN(C[C@H]2CN(C(=O)c3cccc(SCC#N)c3)CCO2)CC1	ZINC000363321228	989090466	/nfs/dbraw/zinc/09/04/66/989090466.db2.gz	OKDZGGODKUMHLC-KRWDZBQOSA-N	1	0	374.510	1.391	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(OC)c(C#N)c2)C[C@H]1C	ZINC000873759779	989132603	/nfs/dbraw/zinc/13/26/03/989132603.db2.gz	CXMGLZGTGSMQIN-CZUORRHYSA-N	1	0	358.442	1.837	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1=O	ZINC000369757473	989148734	/nfs/dbraw/zinc/14/87/34/989148734.db2.gz	ZBBWXFNQJORMJZ-FGTMMUONSA-N	1	0	356.470	1.860	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc2c(n1)CCCC2	ZINC000873820072	989253456	/nfs/dbraw/zinc/25/34/56/989253456.db2.gz	KXKVWSUUEBTVKH-UHFFFAOYSA-N	1	0	357.458	1.593	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)cc1C#N	ZINC000873830031	989272701	/nfs/dbraw/zinc/27/27/01/989272701.db2.gz	BPRVSCXARGKFJG-UHFFFAOYSA-N	1	0	356.426	1.592	20	30		FDEDRO
CCC[N@@H+]1CCCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1	ZINC000363542924	989286140	/nfs/dbraw/zinc/28/61/40/989286140.db2.gz	BIYACNVPOMRFRL-UHFFFAOYSA-N	1	0	352.442	1.884	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CCC[N@H+]2CC)s1	ZINC000873840785	989297295	/nfs/dbraw/zinc/29/72/95/989297295.db2.gz	XVODXYKDMARRMY-CYBMUJFWSA-N	1	0	371.528	1.355	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[NH+]([C@@H]2CCSC2)CC1	ZINC000363593563	989331753	/nfs/dbraw/zinc/33/17/53/989331753.db2.gz	ZMHWXBFATLQQAO-OAHLLOKOSA-N	1	0	374.510	1.858	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N(C)Cc1ccccc1N1CCOCC1	ZINC000296734974	989388723	/nfs/dbraw/zinc/38/87/23/989388723.db2.gz	DCSNPQAASWZYEL-UHFFFAOYSA-N	1	0	358.486	1.620	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)NCC[NH+]3CCCCC3)n2)c(F)c1	ZINC000363694495	989399379	/nfs/dbraw/zinc/39/93/79/989399379.db2.gz	AFDPTLXGPCLJJO-UHFFFAOYSA-N	1	0	356.405	2.490	20	30		FDEDRO
Cn1cc([C@H]2[C@H](CNc3nccc(C#N)c3[N+](=O)[O-])CCC[N@@H+]2C)cn1	ZINC000363885842	989455134	/nfs/dbraw/zinc/45/51/34/989455134.db2.gz	AHCVSERNSMXHJD-DZGCQCFKSA-N	1	0	355.402	2.090	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@H]4CCCCC[C@H]43)CC2)o1	ZINC000363918601	989460940	/nfs/dbraw/zinc/46/09/40/989460940.db2.gz	DJWOLIOVUUYJDF-NVXWUHKLSA-N	1	0	357.458	1.768	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc2cnccc2c1	ZINC000297162510	989486714	/nfs/dbraw/zinc/48/67/14/989486714.db2.gz	ZDDWKMTVTFTYTN-UHFFFAOYSA-N	1	0	353.426	1.867	20	30		FDEDRO
CC[N@H+](CCO)CCNC(=O)NCC1CCN(c2ccccc2C#N)CC1	ZINC000364236761	989521011	/nfs/dbraw/zinc/52/10/11/989521011.db2.gz	IVCWWRPRNFLUNX-UHFFFAOYSA-N	1	0	373.501	1.388	20	30		FDEDRO
C#Cc1ccc(CNC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)cc1	ZINC000297757722	989676565	/nfs/dbraw/zinc/67/65/65/989676565.db2.gz	VLLHRDUNNLTZTB-UHFFFAOYSA-N	1	0	354.498	1.837	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)N1CCC[C@@H]1C[NH+]1CCCCCC1	ZINC000364618315	989681089	/nfs/dbraw/zinc/68/10/89/989681089.db2.gz	XHOQSMBABQRBKI-DVSFIDLUSA-N	1	0	374.485	1.770	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H]2CCCc3cn(CCOC)nc32)CC1	ZINC000364632059	989687756	/nfs/dbraw/zinc/68/77/56/989687756.db2.gz	KIVFNMWEIIUKBG-KRWDZBQOSA-N	1	0	361.490	1.857	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1	ZINC000364735848	989750669	/nfs/dbraw/zinc/75/06/69/989750669.db2.gz	GJOXGRRCTZYAES-IBGZPJMESA-N	1	0	368.481	1.233	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@]1(CO)Cc1ccccc1	ZINC000364853660	989842423	/nfs/dbraw/zinc/84/24/23/989842423.db2.gz	FSVJWLCCSMIZON-FQEVSTJZSA-N	1	0	354.454	1.712	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)CC1	ZINC000370569628	989848266	/nfs/dbraw/zinc/84/82/66/989848266.db2.gz	PHTJSUYHTZLMOQ-OALUTQOASA-N	1	0	364.534	1.970	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1	ZINC000874171786	989864733	/nfs/dbraw/zinc/86/47/33/989864733.db2.gz	FPRBYPWOQTWVNP-CZUORRHYSA-N	1	0	359.401	1.329	20	30		FDEDRO
COCCN1CCN(C(=O)/C=C/c2ccc(OCC#N)c(OC)c2)CC1	ZINC000298100501	989896116	/nfs/dbraw/zinc/89/61/16/989896116.db2.gz	MNVUEVNVCIHSMH-GQCTYLIASA-N	1	0	359.426	1.401	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)cc1C#N	ZINC000370637108	989912466	/nfs/dbraw/zinc/91/24/66/989912466.db2.gz	VYDNPYFETVNMOM-HNAYVOBHSA-N	1	0	353.426	1.610	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)C2=O)cc1	ZINC000364980914	989932956	/nfs/dbraw/zinc/93/29/56/989932956.db2.gz	MGNNILCHNCILNZ-UFYCRDLUSA-N	1	0	368.481	1.585	20	30		FDEDRO
CN1C(=O)CS/C1=C/C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000874245027	989981910	/nfs/dbraw/zinc/98/19/10/989981910.db2.gz	CNRIDBPKIKWQIR-VCHYOVAHSA-N	1	0	358.467	1.495	20	30		FDEDRO
C[C@H](NC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1)C1=CC[N@H+](C)CC1	ZINC000365055653	989989380	/nfs/dbraw/zinc/98/93/80/989989380.db2.gz	QBWBVUFWWNLSFI-HNAYVOBHSA-N	1	0	366.465	1.816	20	30		FDEDRO
C[NH+]1CCN(C[C@H]2CN(C(=O)CSc3ccc(C#N)cc3)CCO2)CC1	ZINC000370840883	990034367	/nfs/dbraw/zinc/03/43/67/990034367.db2.gz	XSMOJPOIARICNB-KRWDZBQOSA-N	1	0	374.510	1.125	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H]2C[NH+](C)C)s1	ZINC000874302049	990064096	/nfs/dbraw/zinc/06/40/96/990064096.db2.gz	NACSKKFPBAKNDT-CYBMUJFWSA-N	1	0	371.528	1.308	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](C(=O)N[C@@H](CO)C[NH+]3CCCCC3)C2)c(F)c1	ZINC000298585826	990178523	/nfs/dbraw/zinc/17/85/23/990178523.db2.gz	LSYFLFKKYOVARY-IAGOWNOFSA-N	1	0	374.460	1.487	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](C(=O)N[C@H](CO)C[NH+]3CCCCC3)C2)c(F)c1	ZINC000298585829	990178872	/nfs/dbraw/zinc/17/88/72/990178872.db2.gz	LSYFLFKKYOVARY-IRXDYDNUSA-N	1	0	374.460	1.487	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)Cc2ccnn2-c2cc[nH+]cc2)n1	ZINC000825726175	990249923	/nfs/dbraw/zinc/24/99/23/990249923.db2.gz	HUNAGVZKHUFSFG-UHFFFAOYSA-N	1	0	350.426	1.746	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC([NH+](C)C)CC2)s1	ZINC000874447616	990286983	/nfs/dbraw/zinc/28/69/83/990286983.db2.gz	STYORAGSOFZPLN-UHFFFAOYSA-N	1	0	371.528	1.308	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C[NH+](C)C)C(C)C)s1	ZINC000874469020	990310570	/nfs/dbraw/zinc/31/05/70/990310570.db2.gz	YNKBACBARMAYOH-CQSZACIVSA-N	1	0	373.544	1.457	20	30		FDEDRO
C[N@@H+]1C[C@@H](NC(=O)CNC(=O)c2ccc(C#N)cc2)[C@@H](c2ccccc2)C1	ZINC000371268957	990327382	/nfs/dbraw/zinc/32/73/82/990327382.db2.gz	PCMYJWSKYLPCMW-RTBURBONSA-N	1	0	362.433	1.502	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH+]2CCC([C@]3(C)NC(=O)NC3=O)CC2)cc1	ZINC000371331388	990364353	/nfs/dbraw/zinc/36/43/53/990364353.db2.gz	HJKXODXZIQOJRA-FQEVSTJZSA-N	1	0	369.469	1.847	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC2(C[C@H]2C(=O)N(C)C2CC2)CC1	ZINC000371541475	990512607	/nfs/dbraw/zinc/51/26/07/990512607.db2.gz	BNEUCLNEFKSDIA-HIFRSBDPSA-N	1	0	362.474	1.110	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C	ZINC000874841004	990566137	/nfs/dbraw/zinc/56/61/37/990566137.db2.gz	BKZLTQMWLOHHRW-ROUUACIJSA-N	1	0	366.469	1.846	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1	ZINC000874993567	990694156	/nfs/dbraw/zinc/69/41/56/990694156.db2.gz	FBUOJQHUWKVXFE-LSDHHAIUSA-N	1	0	363.483	1.156	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)c1C#N	ZINC000371782229	990717467	/nfs/dbraw/zinc/71/74/67/990717467.db2.gz	UYLFNQFNQROMOK-QAPCUYQASA-N	1	0	370.453	1.422	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(CO)(CO)CC1)C(C)C	ZINC000875087851	990868889	/nfs/dbraw/zinc/86/88/89/990868889.db2.gz	SBPIXMWWVQHSOJ-KRWDZBQOSA-N	1	0	353.507	1.461	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000371977582	990870769	/nfs/dbraw/zinc/87/07/69/990870769.db2.gz	FGJPXVZXOPXZBD-OAHLLOKOSA-N	1	0	368.478	1.316	20	30		FDEDRO
C[C@H](CNC(=O)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O)[N@H+](C)C1CC1	ZINC000372210367	990963144	/nfs/dbraw/zinc/96/31/44/990963144.db2.gz	PKGFGINYTSFXIX-ARGWCVDVSA-N	1	0	367.453	1.524	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)C1	ZINC000372217035	990966069	/nfs/dbraw/zinc/96/60/69/990966069.db2.gz	KOMMXCSEWCZWDE-AUSJPIAWSA-N	1	0	367.453	1.526	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000372218556	990967586	/nfs/dbraw/zinc/96/75/86/990967586.db2.gz	PMRYHHLJHCQZIG-MDOVXXIYSA-N	1	0	367.453	1.526	20	30		FDEDRO
N#C[C@@H]1CN(C[C@@H](O)COc2ccccc2)C[C@@]12C(=O)Nc1ccccc12	ZINC000372229702	990972679	/nfs/dbraw/zinc/97/26/79/990972679.db2.gz	YQKCYRWUTAHSTG-WHSLLNHNSA-N	1	0	363.417	1.772	20	30		FDEDRO
CN1CCC[C@]2(CC[N@H+](CC(=O)N(CCC#N)c3ccccc3)C2)C1=O	ZINC000372558195	991212778	/nfs/dbraw/zinc/21/27/78/991212778.db2.gz	RQBMLJYWVVIEOK-HXUWFJFHSA-N	1	0	354.454	1.878	20	30		FDEDRO
Cn1ccnc1CC1CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1	ZINC000372609281	991268138	/nfs/dbraw/zinc/26/81/38/991268138.db2.gz	TYFNSDXKSRITFP-UHFFFAOYSA-N	1	0	351.454	1.863	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)ccc1F	ZINC000372649703	991297795	/nfs/dbraw/zinc/29/77/95/991297795.db2.gz	CRYZBVOGLAZHHG-CVEARBPZSA-N	1	0	374.416	1.084	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1	ZINC000125432589	991572412	/nfs/dbraw/zinc/57/24/12/991572412.db2.gz	LVORETXKHBQVJJ-HNNXBMFYSA-N	1	0	357.414	1.348	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO	ZINC000875477347	991608598	/nfs/dbraw/zinc/60/85/98/991608598.db2.gz	XWTSEADGYNRPIV-VQTJNVASSA-N	1	0	373.497	1.871	20	30		FDEDRO
O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000653984632	1015655142	/nfs/dbraw/zinc/65/51/42/1015655142.db2.gz	KVKPHMBMABYPPT-VQTJNVASSA-N	1	0	362.433	1.764	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1	ZINC000875623799	991820901	/nfs/dbraw/zinc/82/09/01/991820901.db2.gz	WGSNVVAUUYZCMT-HZPDHXFCSA-N	1	0	351.491	1.951	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)cc1	ZINC000875642254	991853331	/nfs/dbraw/zinc/85/33/31/991853331.db2.gz	JRFBEDMIZKGBGV-UHFFFAOYSA-N	1	0	371.481	1.952	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN2C(=O)N(C)C[C@@H]2C1)C(C)C	ZINC000373291606	992125098	/nfs/dbraw/zinc/12/50/98/992125098.db2.gz	FPVRAIZJECEXEC-IAGOWNOFSA-N	1	0	363.506	1.446	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1	ZINC000875916367	992188152	/nfs/dbraw/zinc/18/81/52/992188152.db2.gz	GNTRWMXQCYJSMC-SFHVURJKSA-N	1	0	364.534	1.474	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000875926880	992199620	/nfs/dbraw/zinc/19/96/20/992199620.db2.gz	JYKSFXZYHQCUDS-GOSISDBHSA-N	1	0	359.470	1.351	20	30		FDEDRO
CCCN1C[C@@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1=O	ZINC000411126507	992201999	/nfs/dbraw/zinc/20/19/99/992201999.db2.gz	OZPXOETYDPFBCK-SFHVURJKSA-N	1	0	354.454	1.461	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1	ZINC000373867777	992492739	/nfs/dbraw/zinc/49/27/39/992492739.db2.gz	BNIIKALOSJODHV-MTNOOBJLSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCN(CCC#N)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1	ZINC000411553275	992492855	/nfs/dbraw/zinc/49/28/55/992492855.db2.gz	QVTSTXMUGZFWLL-UHFFFAOYSA-N	1	0	362.405	1.633	20	30		FDEDRO
CN1CC[NH+](CCC(C)(C)NC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1	ZINC000876278005	992518412	/nfs/dbraw/zinc/51/84/12/992518412.db2.gz	FCZBGTLRCMFVAY-IBGZPJMESA-N	1	0	369.513	1.741	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CCO1	ZINC000876281425	992521098	/nfs/dbraw/zinc/52/10/98/992521098.db2.gz	ROUOUOIHQXMXLO-OALUTQOASA-N	1	0	356.470	1.778	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C(=O)C2CC[NH+](Cc3cccnc3)CC2)C1=O	ZINC000374061083	992581979	/nfs/dbraw/zinc/58/19/79/992581979.db2.gz	KCFNAJIOEZHEBB-SFHVURJKSA-N	1	0	356.470	1.539	20	30		FDEDRO
CSC1([C@@H](C#N)N(C)C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)CC1	ZINC000876459042	992619122	/nfs/dbraw/zinc/61/91/22/992619122.db2.gz	YTQAZWGWBBLLTB-QWHCGFSZSA-N	1	0	370.519	1.687	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)CC1	ZINC000374133585	992630440	/nfs/dbraw/zinc/63/04/40/992630440.db2.gz	WGHDSDSHRDSCSW-AABGKKOBSA-N	1	0	365.477	1.605	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NCCC[NH2+]C(C)C)s1	ZINC000876524457	992684331	/nfs/dbraw/zinc/68/43/31/992684331.db2.gz	QWBXPJQYTQQQTE-UHFFFAOYSA-N	1	0	359.517	1.259	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)s1	ZINC000876535306	992689515	/nfs/dbraw/zinc/68/95/15/992689515.db2.gz	WWJJQLALIHTRBU-STQMWFEESA-N	1	0	371.528	1.341	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@@H](CO)Cc1ccc(F)cc1	ZINC000876593299	992727781	/nfs/dbraw/zinc/72/77/81/992727781.db2.gz	ZGHLDBGQGFZLRR-JXFKEZNVSA-N	1	0	367.424	1.852	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1	ZINC000876594565	992728397	/nfs/dbraw/zinc/72/83/97/992728397.db2.gz	XIISCPBURTYGOS-LBPRGKRZSA-N	1	0	351.255	1.700	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000876610392	992741567	/nfs/dbraw/zinc/74/15/67/992741567.db2.gz	ZDLYENFRZZSHQD-BXUZGUMPSA-N	1	0	359.879	1.584	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C(=O)c2cnn(CC[NH+]3CCCCC3)c2)C1=O	ZINC000374263731	992744016	/nfs/dbraw/zinc/74/40/16/992744016.db2.gz	QMVLDCKEKMSZPM-KRWDZBQOSA-N	1	0	359.474	1.228	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1	ZINC000876692133	992799216	/nfs/dbraw/zinc/79/92/16/992799216.db2.gz	XQCPEANGFBVMOZ-RISCZKNCSA-N	1	0	363.767	1.992	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1	ZINC000876692131	992799861	/nfs/dbraw/zinc/79/98/61/992799861.db2.gz	XQCPEANGFBVMOZ-BXUZGUMPSA-N	1	0	363.767	1.992	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1	ZINC000876779199	992904579	/nfs/dbraw/zinc/90/45/79/992904579.db2.gz	XLVLCEYWUVRUCL-BLLLJJGKSA-N	1	0	353.850	1.869	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)[C@H](C(N)=O)c1cccc(Br)c1	ZINC000876889149	992949958	/nfs/dbraw/zinc/94/99/58/992949958.db2.gz	KBXBUYLPRJVXNY-NEPJUHHUSA-N	1	0	374.666	1.904	20	30		FDEDRO
C=CCC[C@H](O)C[NH+]1CCN([C@H]2CCCN(C3CCOCC3)C2=O)CC1	ZINC000374822657	992951479	/nfs/dbraw/zinc/95/14/79/992951479.db2.gz	SUZVKEOXPPKYRH-OALUTQOASA-N	1	0	365.518	1.101	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(CN2CCN(C(C)=O)CC2)cc1	ZINC000876895383	992954255	/nfs/dbraw/zinc/95/42/55/992954255.db2.gz	ADCCXZWKMVGKEG-KRWDZBQOSA-N	1	0	364.877	1.759	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1	ZINC000876896503	992956715	/nfs/dbraw/zinc/95/67/15/992956715.db2.gz	FUWGHZNTTFKZFN-KBPBESRZSA-N	1	0	363.911	1.309	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(CNC(=O)c2ccccn2)CC1	ZINC000876900781	992959238	/nfs/dbraw/zinc/95/92/38/992959238.db2.gz	QYKYANQKYMRURV-AWEZNQCLSA-N	1	0	350.850	1.520	20	30		FDEDRO
CCN1C[C@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CC1=O	ZINC000374897655	992965808	/nfs/dbraw/zinc/96/58/08/992965808.db2.gz	MSPJJYJCWTZPLZ-QGZVFWFLSA-N	1	0	354.454	1.529	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCN(c2ccc(F)cn2)CC1	ZINC000876940146	992974678	/nfs/dbraw/zinc/97/46/78/992974678.db2.gz	PJUNKTJAOJOFEV-IBGZPJMESA-N	1	0	365.412	1.628	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H]([NH3+])C[C@H]2C)s1	ZINC000876952590	992979984	/nfs/dbraw/zinc/97/99/84/992979984.db2.gz	UNOBOUZIHVTUFW-NEPJUHHUSA-N	1	0	357.501	1.093	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N(CCN1CCOCC1)CC1CC1	ZINC000876974016	992991342	/nfs/dbraw/zinc/99/13/42/992991342.db2.gz	VRQQERSSSXQODH-HXUWFJFHSA-N	1	0	368.481	1.316	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[NH2+]C[C@H]2C(C)C)ccc1F	ZINC000876999021	993002094	/nfs/dbraw/zinc/00/20/94/993002094.db2.gz	QKJHJVHGRMYEOB-HNNXBMFYSA-N	1	0	369.462	1.360	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCc2nc(C3CC3)ncc2C1	ZINC000877034957	993023447	/nfs/dbraw/zinc/02/34/47/993023447.db2.gz	RSDUBQLPCDFJTL-IBGZPJMESA-N	1	0	359.433	1.997	20	30		FDEDRO
C=C(Cl)C[C@@H](NC(=O)[C@H]([NH3+])Cc1cccc(OC)c1)C(=O)OCC	ZINC000877144147	993068605	/nfs/dbraw/zinc/06/86/05/993068605.db2.gz	IDZWVRVZWGFPRM-HUUCEWRRSA-N	1	0	354.834	1.756	20	30		FDEDRO
C=C(Cl)C[C@@H](NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)C(=O)OCC	ZINC000877144354	993068922	/nfs/dbraw/zinc/06/89/22/993068922.db2.gz	LAIMYPQTCGXPMT-VXGBXAGGSA-N	1	0	355.826	1.007	20	30		FDEDRO
C=C(Cl)C[C@H](NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)C(=O)OCC	ZINC000877144351	993069025	/nfs/dbraw/zinc/06/90/25/993069025.db2.gz	LAIMYPQTCGXPMT-NEPJUHHUSA-N	1	0	355.826	1.007	20	30		FDEDRO
C=C(Cl)C[C@@H](NC(=O)c1cc(C2CC[NH2+]CC2)no1)C(=O)OCC	ZINC000877144051	993069203	/nfs/dbraw/zinc/06/92/03/993069203.db2.gz	FMPACZURPPTAPB-CYBMUJFWSA-N	1	0	355.822	1.946	20	30		FDEDRO
CN(CCc1cccc(C#N)c1)C(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F	ZINC000877223750	993114450	/nfs/dbraw/zinc/11/44/50/993114450.db2.gz	PNGSBFNJGAIYHZ-AWEZNQCLSA-N	1	0	374.395	1.936	20	30		FDEDRO
CN(CCc1cccc(C#N)c1)C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1	ZINC000877224441	993115113	/nfs/dbraw/zinc/11/51/13/993115113.db2.gz	XTGICKPMQRIISR-KRWDZBQOSA-N	1	0	352.442	1.779	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NCc1nc(C(F)(F)F)n2c1CCCC2	ZINC000877247868	993142949	/nfs/dbraw/zinc/14/29/49/993142949.db2.gz	ALPLMZYVIUWXNL-UHFFFAOYSA-N	1	0	354.376	1.857	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1	ZINC000877251469	993151317	/nfs/dbraw/zinc/15/13/17/993151317.db2.gz	QPKJSJSZKOALQP-MRXNPFEDSA-N	1	0	370.350	1.888	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1CN1CCC[C@H](N2CCCS2(=O)=O)C1	ZINC000877485477	993301053	/nfs/dbraw/zinc/30/10/53/993301053.db2.gz	VLIGBJJNWWSXQS-KRWDZBQOSA-N	1	0	362.499	1.624	20	30		FDEDRO
CN1C2(CCC2)COC[C@]1(CO)C[NH2+]Cc1cc(C#N)cnc1Cl	ZINC000877652596	993410873	/nfs/dbraw/zinc/41/08/73/993410873.db2.gz	WJALNFIKBDJZBG-QGZVFWFLSA-N	1	0	350.850	1.312	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1	ZINC000878007790	993604891	/nfs/dbraw/zinc/60/48/91/993604891.db2.gz	LPHLNLKYJRQARR-OAHLLOKOSA-N	1	0	364.877	1.988	20	30		FDEDRO
C[NH+]1CCC(NC(=O)CN2CCN(c3ccc(C#N)cc3F)CC2)CC1	ZINC000878031268	993630973	/nfs/dbraw/zinc/63/09/73/993630973.db2.gz	VDLKVBXVZDGHQM-UHFFFAOYSA-N	1	0	359.449	1.030	20	30		FDEDRO
C#Cc1cccc(NC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)c1	ZINC000878118001	993722906	/nfs/dbraw/zinc/72/29/06/993722906.db2.gz	BJUAGPMNNCTPMV-LJQANCHMSA-N	1	0	356.470	1.586	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)CC1	ZINC000878224369	993805080	/nfs/dbraw/zinc/80/50/80/993805080.db2.gz	ZXVNZFIYJIECSW-AWEZNQCLSA-N	1	0	364.490	1.984	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)C3)c1	ZINC001095663764	993924252	/nfs/dbraw/zinc/92/42/52/993924252.db2.gz	PHCUNCOBEKMHNI-BDXSIMOUSA-N	1	0	352.438	1.306	20	30		FDEDRO
C=CCN1CC[C@@H](N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CCC[NH+]2CCC4)C3)C1=O	ZINC001095684505	994020364	/nfs/dbraw/zinc/02/03/64/994020364.db2.gz	INKPZFJYJHXKFF-VSZNYVQBSA-N	1	0	372.513	1.123	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)Nc3ccn(CCC#N)n3)cc2)CC1	ZINC000878764888	994207906	/nfs/dbraw/zinc/20/79/06/994207906.db2.gz	MZNSUVMZJRNDPQ-UHFFFAOYSA-N	1	0	367.457	1.870	20	30		FDEDRO
CC(C)[C@H]([NH2+]Cc1ccc(C#N)cc1)C(=O)N(C)Cc1nnc2n1CCC2	ZINC000471000191	994230936	/nfs/dbraw/zinc/23/09/36/994230936.db2.gz	DZZGHXMYYVFUBM-IBGZPJMESA-N	1	0	366.469	1.869	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C2CC3(CC(NC(=O)[C@H]4C[C@H]4C(N)=O)C3)C2)cc1F	ZINC000965119824	1015846289	/nfs/dbraw/zinc/84/62/89/1015846289.db2.gz	HLDRRZAHFIMVMR-KDFLPGDSSA-N	1	0	370.428	1.336	20	30		FDEDRO
CC(=O)[C@@](C#N)(CCN1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccccc1	ZINC000878993859	994421034	/nfs/dbraw/zinc/42/10/34/994421034.db2.gz	OOMQEOHAMVEJTO-SFTDATJTSA-N	1	0	355.482	1.958	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1	ZINC000924251120	994519404	/nfs/dbraw/zinc/51/94/04/994519404.db2.gz	AOEYCDVTSMLIHN-UHFFFAOYSA-N	1	0	358.486	1.512	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CCC(=O)OCc2ncc(C#N)cn2)cc1	ZINC000924385036	994609200	/nfs/dbraw/zinc/60/92/00/994609200.db2.gz	VCQASLYKVYQDEZ-UHFFFAOYSA-N	1	0	354.410	1.965	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](CO)[C@H]2CO)c(OC)c1	ZINC000879361743	994828768	/nfs/dbraw/zinc/82/87/68/994828768.db2.gz	ISELSEPQRGDGHH-OKZBNKHCSA-N	1	0	365.470	1.229	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](NC(=O)[C@@H]3C[C@H]3CC)CC2)CC1	ZINC000965205299	1015911255	/nfs/dbraw/zinc/91/12/55/1015911255.db2.gz	IKDKTTLGXYGBKZ-BHIYHBOVSA-N	1	0	359.514	1.875	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000879594129	995063848	/nfs/dbraw/zinc/06/38/48/995063848.db2.gz	YMFWSRWZHMAFHY-IBGZPJMESA-N	1	0	356.470	1.484	20	30		FDEDRO
C#CCNC(=O)C[N@H+]1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1	ZINC000879653048	995137456	/nfs/dbraw/zinc/13/74/56/995137456.db2.gz	KZXWNMVSPSKHQR-LJQANCHMSA-N	1	0	351.491	1.999	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC1CCS(=O)(=O)CC1	ZINC001110897521	995189172	/nfs/dbraw/zinc/18/91/72/995189172.db2.gz	NFCDVKGRIUVJOK-OAGGEKHMSA-N	1	0	354.516	1.745	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2CC(=O)NCCC#N)C1	ZINC000879701102	995199616	/nfs/dbraw/zinc/19/96/16/995199616.db2.gz	PYWYUXACEMUNJM-CABCVRRESA-N	1	0	350.463	1.738	20	30		FDEDRO
CC(C)CC(=O)N1CCC[N@H+](C[C@@H](O)COc2ccccc2C#N)CC1	ZINC000879762106	995259466	/nfs/dbraw/zinc/25/94/66/995259466.db2.gz	ZHEUKUWAUHOHNH-GOSISDBHSA-N	1	0	359.470	1.878	20	30		FDEDRO
C=CCCC[C@H]1NC(=O)N([C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1=O	ZINC000925103019	995290785	/nfs/dbraw/zinc/29/07/85/995290785.db2.gz	XQMSIXBTJSADHE-DLBZAZTESA-N	1	0	364.490	1.060	20	30		FDEDRO
C=CCC[C@@H]1NC(=O)N(Cc2ccc(CN3CC[NH+](C)CC3)cc2)C1=O	ZINC000925274367	995444022	/nfs/dbraw/zinc/44/40/22/995444022.db2.gz	AJDAAVKLMPYWHJ-SFHVURJKSA-N	1	0	356.470	1.821	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)cc1	ZINC000925314910	995482891	/nfs/dbraw/zinc/48/28/91/995482891.db2.gz	FQBLNHSLSWXQLK-BBRMVZONSA-N	1	0	366.487	1.707	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@]2(C)C1	ZINC000880027979	995565725	/nfs/dbraw/zinc/56/57/25/995565725.db2.gz	OAWQQQTWHYYSAY-BEFAXECRSA-N	1	0	364.490	1.937	20	30		FDEDRO
Cn1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)c(Br)n1	ZINC000880049657	995585730	/nfs/dbraw/zinc/58/57/30/995585730.db2.gz	WQUQIUXFVXTRIF-UHFFFAOYSA-N	1	0	357.256	1.882	20	30		FDEDRO
N#Cc1cccc(OCCN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1	ZINC000880249779	995753803	/nfs/dbraw/zinc/75/38/03/995753803.db2.gz	HBDABJOKSKSDMM-UHFFFAOYSA-N	1	0	356.470	1.743	20	30		FDEDRO
C[C@@H]1CN(CCS(=O)(=O)c2ccc(C#N)cc2)CCN1c1cc[nH+]cc1	ZINC000880262560	995765434	/nfs/dbraw/zinc/76/54/34/995765434.db2.gz	PFZZWGAJMUPKMW-MRXNPFEDSA-N	1	0	370.478	1.938	20	30		FDEDRO
CCN1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1=O	ZINC000925962039	995858612	/nfs/dbraw/zinc/85/86/12/995858612.db2.gz	KQWNKKXQXIUTRW-SFHVURJKSA-N	1	0	371.485	1.642	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)[C@H](C)Oc1ccccc1C#N)C2	ZINC000926182606	995964440	/nfs/dbraw/zinc/96/44/40/995964440.db2.gz	ICZUPSBORQZEKD-KZSACYSCSA-N	1	0	371.481	1.921	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cccc(C#CCO)c1)C2	ZINC000926191412	995970770	/nfs/dbraw/zinc/97/07/70/995970770.db2.gz	DPRRBRKAEXMETD-WERVVEIQSA-N	1	0	356.466	1.240	20	30		FDEDRO
CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3cc(O)cc(C#N)c3)C2)[C@@H]1C(C)C	ZINC000926245484	995993943	/nfs/dbraw/zinc/99/39/43/995993943.db2.gz	WIYGBPIAJAQTDX-XSYGEPLQSA-N	1	0	357.454	1.863	20	30		FDEDRO
CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)CNc3ccc(C#N)cc3)C2)[C@H]1C(C)C	ZINC000926258950	996004215	/nfs/dbraw/zinc/00/42/15/996004215.db2.gz	YPSXHRUMYRXFEQ-UKAVVXHISA-N	1	0	370.497	1.956	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]CC2)CC1	ZINC000926358017	996083786	/nfs/dbraw/zinc/08/37/86/996083786.db2.gz	LKKJVPLHGMPYBQ-MRXNPFEDSA-N	1	0	351.491	1.276	20	30		FDEDRO
C#CCC[C@H](O)CNC(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1	ZINC000926792097	996304471	/nfs/dbraw/zinc/30/44/71/996304471.db2.gz	YGKQNPNMLBILBV-IBGZPJMESA-N	1	0	373.497	1.741	20	30		FDEDRO
CCO[C@H](CNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)C[NH+](C)C	ZINC000926837759	996332799	/nfs/dbraw/zinc/33/27/99/996332799.db2.gz	VLLUTJCWHMYYPP-RBUKOAKNSA-N	1	0	373.501	1.373	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CCN2C(=O)OC(C)(C)C)CC1	ZINC000927045076	996426900	/nfs/dbraw/zinc/42/69/00/996426900.db2.gz	NNRJYFKJVHNTIJ-HNNXBMFYSA-N	1	0	350.463	1.393	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N2CCN(Cc3cccc(C)c3)CC2)CCOCC1	ZINC000887125616	996955328	/nfs/dbraw/zinc/95/53/28/996955328.db2.gz	CTJKDIKCSOPRKK-UHFFFAOYSA-N	1	0	369.509	1.801	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CC#N)n2)CC[N@@H+](C2CCC2)C1	ZINC000890295583	997126101	/nfs/dbraw/zinc/12/61/01/997126101.db2.gz	AFPAZMAVHWYFLF-AWEZNQCLSA-N	1	0	355.442	1.419	20	30		FDEDRO
C[NH+]=C(NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1)NC1CC1	ZINC000264030889	997385360	/nfs/dbraw/zinc/38/53/60/997385360.db2.gz	DKSPHKZUUVOESF-INIZCTEOSA-N	1	0	360.458	1.188	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCCc2nnc3n2CCCCC3)cc1	ZINC000264066061	997393577	/nfs/dbraw/zinc/39/35/77/997393577.db2.gz	DZEMLZLHVCSRBC-UHFFFAOYSA-N	1	0	356.474	1.703	20	30		FDEDRO
COc1ccc(C(=O)NCCNC(=[NH2+])Nc2ccc(OC)c(OC)c2)cc1	ZINC000264109328	997402720	/nfs/dbraw/zinc/40/27/20/997402720.db2.gz	QIOOBZFYODUFGQ-UHFFFAOYSA-N	1	0	372.425	1.869	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCCOc2ccc3c(c2)OCO3)cc1OC	ZINC000264113448	997404140	/nfs/dbraw/zinc/40/41/40/997404140.db2.gz	RRIQXPYUIKTYDQ-UHFFFAOYSA-N	1	0	373.409	1.916	20	30		FDEDRO
COc1ccc([C@H](O)CNC(=[NH2+])NCCc2ccc(OC)c(OC)c2)cc1	ZINC000264132047	997408280	/nfs/dbraw/zinc/40/82/80/997408280.db2.gz	YGTHZFPUJOPGLL-QGZVFWFLSA-N	1	0	373.453	1.893	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCc2ccc(C(N)=O)cc2)cc1OC	ZINC000264142409	997413052	/nfs/dbraw/zinc/41/30/52/997413052.db2.gz	WZJMNWFNOZLJIR-UHFFFAOYSA-N	1	0	356.426	1.450	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)CC1	ZINC000264399717	997494069	/nfs/dbraw/zinc/49/40/69/997494069.db2.gz	MBSFBKJCUQTERN-INIZCTEOSA-N	1	0	373.501	1.756	20	30		FDEDRO
C=CCOc1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1OC	ZINC000264440034	997511855	/nfs/dbraw/zinc/51/18/55/997511855.db2.gz	BOFBLMIXBXJLHX-OAHLLOKOSA-N	1	0	361.442	1.330	20	30		FDEDRO
COC(=O)CCc1nc(CO/[NH+]=C/c2ccc(N3CCOCC3)cc2)no1	ZINC000264741239	997589913	/nfs/dbraw/zinc/58/99/13/997589913.db2.gz	UBKZWZLZOLALEZ-XDHOZWIPSA-N	1	0	374.397	1.563	20	30		FDEDRO
CC(C)(C)OC(=O)NC1CCN(CC(=O)N2CCO[C@](C)(C#N)C2)CC1	ZINC000887678432	997640395	/nfs/dbraw/zinc/64/03/95/997640395.db2.gz	BGHCXIXMZAKPHB-GOSISDBHSA-N	1	0	366.462	1.117	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N(C)Cc1ccncc1)C(C)C	ZINC000283028211	997788446	/nfs/dbraw/zinc/78/84/46/997788446.db2.gz	BZBGYHDSVSCLKK-SFHVURJKSA-N	1	0	358.486	1.855	20	30		FDEDRO
C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000265520857	997828625	/nfs/dbraw/zinc/82/86/25/997828625.db2.gz	KRMGFGHJFVTTHD-UHFFFAOYSA-N	1	0	364.449	1.876	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2nc(C#N)cs2)[C@H](c2cnn(C)c2)C1	ZINC000887976819	997990667	/nfs/dbraw/zinc/99/06/67/997990667.db2.gz	URDYUMMGYJMHCJ-CVEARBPZSA-N	1	0	372.498	1.879	20	30		FDEDRO
CC[NH+]1CCN(CC(=O)Nc2ccc(Br)c(C#N)c2)CC1	ZINC000887995092	998001810	/nfs/dbraw/zinc/00/18/10/998001810.db2.gz	XOHJSIDBCVZAKX-UHFFFAOYSA-N	1	0	351.248	1.897	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCC1(c2ccccc2)CCOCC1	ZINC000104173735	998314149	/nfs/dbraw/zinc/31/41/49/998314149.db2.gz	VPAXCWYRNZBOGK-UHFFFAOYSA-N	1	0	360.502	1.232	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cc1	ZINC000889771363	998635539	/nfs/dbraw/zinc/63/55/39/998635539.db2.gz	ZRWBSABGWXAJIQ-VAMGGRTRSA-N	1	0	368.481	1.585	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cc1	ZINC000889771358	998635649	/nfs/dbraw/zinc/63/56/49/998635649.db2.gz	ZRWBSABGWXAJIQ-HSALFYBXSA-N	1	0	368.481	1.585	20	30		FDEDRO
CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cccc(CC#N)n1)CC(C)C	ZINC000889787385	998659691	/nfs/dbraw/zinc/65/96/91/998659691.db2.gz	YRAYCSYMVXOUQU-MRXNPFEDSA-N	1	0	359.474	1.959	20	30		FDEDRO
C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc(CC#N)n1	ZINC000889856757	998707223	/nfs/dbraw/zinc/70/72/23/998707223.db2.gz	UCJDKWRLOOMBGW-KRWDZBQOSA-N	1	0	365.437	1.375	20	30		FDEDRO
CC#CCN(C)C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000890302012	998897773	/nfs/dbraw/zinc/89/77/73/998897773.db2.gz	ZIHUXOZFFSQWHT-GOSISDBHSA-N	1	0	354.454	1.391	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1	ZINC000890376662	998920753	/nfs/dbraw/zinc/92/07/53/998920753.db2.gz	IUJJFQHGIDNPCF-QGZVFWFLSA-N	1	0	355.486	1.658	20	30		FDEDRO
CSc1ccc(CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1C#N	ZINC000890452578	998948918	/nfs/dbraw/zinc/94/89/18/998948918.db2.gz	RRDOGDNUNRWIBO-UHFFFAOYSA-N	1	0	362.499	1.878	20	30		FDEDRO
C[C@H]1CN(C(=O)Cc2ccccc2CC#N)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000777408977	999069217	/nfs/dbraw/zinc/06/92/17/999069217.db2.gz	HSGNLFWYHBLGFP-FXAWDEMLSA-N	1	0	354.498	1.780	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C[C@@H](C)CS(C)(=O)=O)cc1	ZINC001110884326	999111889	/nfs/dbraw/zinc/11/18/89/999111889.db2.gz	ZKDRROUBQQDZEP-AXUOBQJMSA-N	1	0	374.506	1.684	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(C#N)c2ccc(F)c(C#N)c2)C1	ZINC000266416721	999160913	/nfs/dbraw/zinc/16/09/13/999160913.db2.gz	DPEIAUJQQGFAJD-QGZVFWFLSA-N	1	0	373.432	1.458	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000266516185	999177981	/nfs/dbraw/zinc/17/79/81/999177981.db2.gz	GXMYEKUVARDESE-ZBFHGGJFSA-N	1	0	359.401	1.519	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3CCOC3=O)cc2)CC1	ZINC000266636342	999206866	/nfs/dbraw/zinc/20/68/66/999206866.db2.gz	DMYYONUVOWJSOU-UHFFFAOYSA-N	1	0	372.425	1.348	20	30		FDEDRO
N#Cc1cccc(NC(=O)C2CC[NH+](CCCN3CCOCC3)CC2)c1	ZINC000266739714	999224193	/nfs/dbraw/zinc/22/41/93/999224193.db2.gz	MXYQZIFUPUUBBW-UHFFFAOYSA-N	1	0	356.470	1.931	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NC[C@H]2CCc3nnc(C)n3C2)cc1OC	ZINC000267422479	999331583	/nfs/dbraw/zinc/33/15/83/999331583.db2.gz	LADZOKKSXAMHLA-OAHLLOKOSA-N	1	0	372.473	1.313	20	30		FDEDRO
CCOCCCNC(=O)[C@H](C)O/[NH+]=C/c1ccc(N2CCOCC2)cc1	ZINC000267442886	999337094	/nfs/dbraw/zinc/33/70/94/999337094.db2.gz	PRCYOAUFCAEBMO-WASCAKKMSA-N	1	0	363.458	1.805	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCC(=O)Nc3ccccc3)=[NH+]C[C@@H]2C1	ZINC000268099668	999429036	/nfs/dbraw/zinc/42/90/36/999429036.db2.gz	WMPZMIKJMQLLHH-OAHLLOKOSA-N	1	0	373.457	1.506	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C	ZINC000268236533	999434574	/nfs/dbraw/zinc/43/45/74/999434574.db2.gz	ZWOSKXUNUGIMTE-LRDDRELGSA-N	1	0	359.401	1.375	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cccc(OCC#N)c3)CC[C@H]21	ZINC000269040234	999462710	/nfs/dbraw/zinc/46/27/10/999462710.db2.gz	WUOTZWYUOYFPPV-WMLDXEAASA-N	1	0	356.426	1.470	20	30		FDEDRO
CN1c2ccccc2N(C)C1=C1C(=N)N(C[C@H](O)C[NH+]2CCCC2)CC1=O	ZINC000269877991	999479699	/nfs/dbraw/zinc/47/96/99/999479699.db2.gz	XQLGZDMQGGZBIY-CQSZACIVSA-N	1	0	369.469	1.103	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1c(C)nn(C)c1C)C(C)C	ZINC000269940630	999489180	/nfs/dbraw/zinc/48/91/80/999489180.db2.gz	MJVSYODAAQICAO-MRXNPFEDSA-N	1	0	361.490	1.790	20	30		FDEDRO
C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(C#N)c3)C2)CC1	ZINC000270076886	999508753	/nfs/dbraw/zinc/50/87/53/999508753.db2.gz	CYMXHEWRWGSEGO-AWEZNQCLSA-N	1	0	358.417	1.826	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=NOCCCN2C(=O)NC(C)(C)C2=O)cc1	ZINC000270252222	999531226	/nfs/dbraw/zinc/53/12/26/999531226.db2.gz	NKYCGAQNFBKPLG-UHFFFAOYSA-N	1	0	361.446	1.106	20	30		FDEDRO
C#CCCN1CCN(C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)CC1	ZINC000270966475	999642098	/nfs/dbraw/zinc/64/20/98/999642098.db2.gz	BNVKLTVSJNLMKP-UHFFFAOYSA-N	1	0	369.509	1.672	20	30		FDEDRO
COCCOc1ccc([C@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1	ZINC000271522330	999709643	/nfs/dbraw/zinc/70/96/43/999709643.db2.gz	UZBIALLQUMDZLQ-JGWKNBOWSA-N	1	0	359.426	1.889	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000271578027	999713921	/nfs/dbraw/zinc/71/39/21/999713921.db2.gz	QZRVKQAJYMZDRK-CQSZACIVSA-N	1	0	374.489	1.829	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2cc(C)ccc2OC)CC1	ZINC000283564769	999757094	/nfs/dbraw/zinc/75/70/94/999757094.db2.gz	RNGZYLPUIPNDSZ-HNNXBMFYSA-N	1	0	359.470	1.947	20	30		FDEDRO
N#Cc1ccnc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)c1	ZINC000283588877	999757717	/nfs/dbraw/zinc/75/77/17/999757717.db2.gz	XOUYCWSYOPJJTL-MJGOQNOKSA-N	1	0	350.422	1.566	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccccc2OC(C)C)CC1	ZINC000283725232	999760903	/nfs/dbraw/zinc/76/09/03/999760903.db2.gz	GYOLMMIQMSBINB-UHFFFAOYSA-N	1	0	359.470	1.857	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)CCc2ccc(OC)cc2)CC1	ZINC000284403490	999825620	/nfs/dbraw/zinc/82/56/20/999825620.db2.gz	XBNSNVBZHFEULN-MRXNPFEDSA-N	1	0	373.497	1.899	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NC[C@@H]2CCO[C@H]2c2ccnn2C)cc1OC	ZINC000285030917	999896082	/nfs/dbraw/zinc/89/60/82/999896082.db2.gz	JYIMUAAMTDEQCO-YVEFUNNKSA-N	1	0	359.430	1.942	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)COCc2ccccc2)CC1	ZINC000285264000	999907286	/nfs/dbraw/zinc/90/72/86/999907286.db2.gz	ZVZRHSJAFQCXIR-KRWDZBQOSA-N	1	0	373.497	1.722	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H](C)c2ccc(OC)cc2)CC1	ZINC000286404884	999944283	/nfs/dbraw/zinc/94/42/83/999944283.db2.gz	DYFJKIFTFSBFTB-HNNXBMFYSA-N	1	0	359.470	1.981	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(CCOC)CCc2ccccc2)CC1	ZINC000286424944	999944349	/nfs/dbraw/zinc/94/43/49/999944349.db2.gz	GAYMXJSHJKTNIW-UHFFFAOYSA-N	1	0	373.497	1.471	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@H]2COc3ccccc3O2)CC1	ZINC000286434821	999944447	/nfs/dbraw/zinc/94/44/47/999944447.db2.gz	GPUFOLAASUZZLF-INIZCTEOSA-N	1	0	373.453	1.051	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CCc2ccc(F)cc2)CC1	ZINC000286434818	999944506	/nfs/dbraw/zinc/94/45/06/999944506.db2.gz	GPSCDWPTRKOBTK-UHFFFAOYSA-N	1	0	361.461	1.983	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)Cc2c(C)noc2C)CC1	ZINC000286439383	999944539	/nfs/dbraw/zinc/94/45/39/999944539.db2.gz	GXKKYJXGKCHDJD-ZDUSSCGKSA-N	1	0	362.474	1.495	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](CCOC)c2ccco2)CC1	ZINC000286608560	999945531	/nfs/dbraw/zinc/94/55/31/999945531.db2.gz	LEITUWMMFHEEQB-INIZCTEOSA-N	1	0	363.458	1.630	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(C(=O)/C(=N/OC)c2ccco2)CC1	ZINC000286799751	999950900	/nfs/dbraw/zinc/95/09/00/999950900.db2.gz	WJNCMLQIOFEGPR-HTXNQAPBSA-N	1	0	367.446	1.216	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1	ZINC000286954717	999953651	/nfs/dbraw/zinc/95/36/51/999953651.db2.gz	QDPPBBOOHKKZJX-HXUWFJFHSA-N	1	0	356.470	1.596	20	30		FDEDRO
N#CCCN(C(=O)C[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1)c1ccccc1	ZINC000287439635	999957784	/nfs/dbraw/zinc/95/77/84/999957784.db2.gz	QAIYBSKZTYWMRA-KRWDZBQOSA-N	1	0	354.454	1.878	20	30		FDEDRO
C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000288031625	999984413	/nfs/dbraw/zinc/98/44/13/999984413.db2.gz	IHBAERUXCWUSLS-HIFRSBDPSA-N	1	0	372.473	1.533	20	30		FDEDRO
C=CCCCNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000288590297	1000029916	/nfs/dbraw/zinc/02/99/16/1000029916.db2.gz	MUFCYEZUPQFUEK-GOSISDBHSA-N	1	0	359.470	1.476	20	30		FDEDRO
C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC000288887411	1000056203	/nfs/dbraw/zinc/05/62/03/1000056203.db2.gz	GJZSULPVCPNADY-HOCLYGCPSA-N	1	0	356.426	1.613	20	30		FDEDRO
C[N@@H+]1CCCN(c2ccc(-c3noc(C4(C#N)CCOCC4)n3)cn2)CC1	ZINC000288941084	1000061533	/nfs/dbraw/zinc/06/15/33/1000061533.db2.gz	OBJOOZAYGCGHSY-UHFFFAOYSA-N	1	0	368.441	1.845	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000289018203	1000068839	/nfs/dbraw/zinc/06/88/39/1000068839.db2.gz	KVDMBEBGELIVFB-BEFAXECRSA-N	1	0	368.481	1.894	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+]C3CCC4(CC3)NC(=O)NC4=O)CC2)cc1	ZINC000289210073	1000082099	/nfs/dbraw/zinc/08/20/99/1000082099.db2.gz	BYJMQTQDNNLKKC-UHFFFAOYSA-N	1	0	367.453	1.637	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1	ZINC000124525149	1000091919	/nfs/dbraw/zinc/09/19/19/1000091919.db2.gz	HPQCUQRDCHGHKH-HNNXBMFYSA-N	1	0	360.458	1.355	20	30		FDEDRO
C#CCNC(=O)c1ccc(NCc2ccccc2OCC[NH+](C)C)nc1	ZINC000290610877	1000147913	/nfs/dbraw/zinc/14/79/13/1000147913.db2.gz	KHVJWQKLPZKDPU-UHFFFAOYSA-N	1	0	352.438	1.997	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCNC(=O)CCCC(=O)Nc1ccccc1C#N	ZINC000290673628	1000152035	/nfs/dbraw/zinc/15/20/35/1000152035.db2.gz	POOXWNHDLZXXNF-UHFFFAOYSA-N	1	0	373.501	1.667	20	30		FDEDRO
C=C(C)CS(=O)(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21	ZINC000651841185	1016405422	/nfs/dbraw/zinc/40/54/22/1016405422.db2.gz	JHTKSKMPHNAJII-ROUUACIJSA-N	1	0	350.484	1.868	20	30		FDEDRO
C#CCN(C(=O)NC1CCC(C)([NH+]2CCC2)CC1)[C@H]1CCS(=O)(=O)C1	ZINC000927293791	1000753442	/nfs/dbraw/zinc/75/34/42/1000753442.db2.gz	KRFXFYDNYTUJEQ-PQUAAJSLSA-N	1	0	367.515	1.225	20	30		FDEDRO
C[C@H](C#N)C(=O)N1Cc2ccc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)cc2C1	ZINC000965863418	1016439493	/nfs/dbraw/zinc/43/94/93/1016439493.db2.gz	CMUMPAQSOAWGRT-HBUWYVDXSA-N	1	0	354.454	1.645	20	30		FDEDRO
N#CCCc1ccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1	ZINC000927843516	1001102172	/nfs/dbraw/zinc/10/21/72/1001102172.db2.gz	XPYFTFQANHPNOP-ZIAGYGMSSA-N	1	0	368.359	1.819	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1	ZINC000927844788	1001104747	/nfs/dbraw/zinc/10/47/47/1001104747.db2.gz	IHHAXIMGOQAYGG-VXGBXAGGSA-N	1	0	354.332	1.543	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC[C@H]1C[NH3+]	ZINC000927894054	1001196712	/nfs/dbraw/zinc/19/67/12/1001196712.db2.gz	JYPOYALXRUONAG-QWRGUYRKSA-N	1	0	368.359	1.959	20	30		FDEDRO
N#Cc1ccc(C[C@H](C#N)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1	ZINC000928088485	1001348439	/nfs/dbraw/zinc/34/84/39/1001348439.db2.gz	YLLOOYOEGXUVFP-SQNIBIBYSA-N	1	0	354.479	1.937	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2conc2CNC(=O)OC(C)(C)C)CC1	ZINC000928648021	1001606055	/nfs/dbraw/zinc/60/60/55/1001606055.db2.gz	CRUGFCFAFFTWCA-UHFFFAOYSA-N	1	0	362.430	1.527	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)CC1	ZINC000928648613	1001606347	/nfs/dbraw/zinc/60/63/47/1001606347.db2.gz	NYGDLYMYWFCEFZ-CYBMUJFWSA-N	1	0	361.392	1.532	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H](C(C)C)n2nnc(-c3ccccc3)n2)CC1	ZINC000928657553	1001613225	/nfs/dbraw/zinc/61/32/25/1001613225.db2.gz	NNLWVPQXZDRJIX-SFHVURJKSA-N	1	0	366.469	1.751	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)CC1	ZINC000928659654	1001615380	/nfs/dbraw/zinc/61/53/80/1001615380.db2.gz	WCMYJOQPRURMSA-QGZVFWFLSA-N	1	0	353.466	1.870	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cccn(CC(=O)OC(C)(C)C)c2=O)CC1	ZINC000928660213	1001615389	/nfs/dbraw/zinc/61/53/89/1001615389.db2.gz	MDYMXZVMFIMVHG-UHFFFAOYSA-N	1	0	373.453	1.017	20	30		FDEDRO
C[NH+](C)CC[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)c1cccnc1	ZINC000928829272	1001676648	/nfs/dbraw/zinc/67/66/48/1001676648.db2.gz	CBWYRNFWMUOXDJ-SFHVURJKSA-N	1	0	365.437	1.492	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cc1ccccc1	ZINC001111486436	1001705416	/nfs/dbraw/zinc/70/54/16/1001705416.db2.gz	ONGKOFLSYSXXBR-WTGUMLROSA-N	1	0	358.482	1.904	20	30		FDEDRO
N#CC1CCC(C[NH+]2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CC1	ZINC000929260582	1001873010	/nfs/dbraw/zinc/87/30/10/1001873010.db2.gz	DSTCUBZNEPDAAU-UHFFFAOYSA-N	1	0	362.499	1.786	20	30		FDEDRO
N#Cc1ccc(N2CC[NH+](C[C@H](O)CC[C@H](O)c3ccccc3)CC2)nc1	ZINC000929327907	1001940096	/nfs/dbraw/zinc/94/00/96/1001940096.db2.gz	PCGGSDGCOGWMNT-UXHICEINSA-N	1	0	366.465	1.950	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1c(C)cc(C)cc1C)C1CC[NH+](C)CC1	ZINC000929376921	1001979397	/nfs/dbraw/zinc/97/93/97/1001979397.db2.gz	XNGDTKMWJQKMKA-UHFFFAOYSA-N	1	0	355.482	1.784	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1ccc([C@H]2C[C@@H]2C)o1)C1CC[NH+](C)CC1	ZINC000929379807	1001982500	/nfs/dbraw/zinc/98/25/00/1001982500.db2.gz	HMQUOWYSDTWMIR-YOEHRIQHSA-N	1	0	357.454	1.575	20	30		FDEDRO
CCCCNS(=O)(=O)c1cccc(NC(=O)NCC#CC[NH+](C)C)c1	ZINC000929423942	1002036157	/nfs/dbraw/zinc/03/61/57/1002036157.db2.gz	CFXUGTZIVYCDJB-UHFFFAOYSA-N	1	0	366.487	1.452	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)cc1	ZINC000929489433	1002115960	/nfs/dbraw/zinc/11/59/60/1002115960.db2.gz	RZQZLZZPGHNEPD-LJQANCHMSA-N	1	0	369.465	1.710	20	30		FDEDRO
C#Cc1ccc(NC(=O)CCN2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1	ZINC000929513475	1002151850	/nfs/dbraw/zinc/15/18/50/1002151850.db2.gz	UJMJEIZUMSIULJ-UHFFFAOYSA-N	1	0	368.481	1.237	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC000948207189	1002177453	/nfs/dbraw/zinc/17/74/53/1002177453.db2.gz	IBENNBUCLOQHQR-OLMNPRSZSA-N	1	0	371.485	1.583	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1	ZINC000965945218	1016582212	/nfs/dbraw/zinc/58/22/12/1016582212.db2.gz	WLINUDMYWTUQBW-NCOADZHNSA-N	1	0	351.491	1.271	20	30		FDEDRO
C[NH+](C)Cc1cccc(NC(=O)N2C[C@@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1	ZINC000929564249	1002209954	/nfs/dbraw/zinc/20/99/54/1002209954.db2.gz	IMGXSKPETUXZKJ-PBHICJAKSA-N	1	0	362.455	1.150	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1	ZINC000948475535	1002381016	/nfs/dbraw/zinc/38/10/16/1002381016.db2.gz	OQGHERXHTWYQLG-SQNIBIBYSA-N	1	0	363.502	1.558	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N(C)Cc2cc(C#N)cs2)C1	ZINC000929793916	1002451636	/nfs/dbraw/zinc/45/16/36/1002451636.db2.gz	YFSCGFGFULXZLK-CQSZACIVSA-N	1	0	362.499	1.815	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)C1	ZINC000948579690	1002466794	/nfs/dbraw/zinc/46/67/94/1002466794.db2.gz	BOPGMZKNAVUMKW-IIDMSEBBSA-N	1	0	371.485	1.441	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCCCOc1ccccc1C)C1CC[NH+](C)CC1	ZINC000929959332	1002656586	/nfs/dbraw/zinc/65/65/86/1002656586.db2.gz	RRZRNXBVUQBSNQ-UHFFFAOYSA-N	1	0	371.481	1.436	20	30		FDEDRO
CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)CC1	ZINC000948778965	1002669610	/nfs/dbraw/zinc/66/96/10/1002669610.db2.gz	GYSUZGGIGRRMQB-MAZHCROVSA-N	1	0	360.483	1.554	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1	ZINC000930057665	1002773075	/nfs/dbraw/zinc/77/30/75/1002773075.db2.gz	WOOUYDZNKAIHTI-UHFFFAOYSA-N	1	0	374.510	1.491	20	30		FDEDRO
C#CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC000948940747	1002852776	/nfs/dbraw/zinc/85/27/76/1002852776.db2.gz	MYMQJTDFAKOJCE-ZIBCJSCZSA-N	1	0	368.477	1.777	20	30		FDEDRO
Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)NCC#CC[NH+](C)C	ZINC000930145473	1002871535	/nfs/dbraw/zinc/87/15/35/1002871535.db2.gz	JGFMBQJLMLSHIK-UHFFFAOYSA-N	1	0	374.510	1.871	20	30		FDEDRO
C#Cc1ccc(C(=O)NCC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cc1	ZINC000949011223	1002929980	/nfs/dbraw/zinc/92/99/80/1002929980.db2.gz	UXLCDRZBSMDWJG-OXQOHEQNSA-N	1	0	367.493	1.977	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1C#N	ZINC000930213612	1002934394	/nfs/dbraw/zinc/93/43/94/1002934394.db2.gz	OKGGJYYEZBUOSN-KRWDZBQOSA-N	1	0	358.486	1.966	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](O)Cn2cccn2)CCC1	ZINC001110987241	1003059628	/nfs/dbraw/zinc/05/96/28/1003059628.db2.gz	LEIDZKZDXANAEL-TVFCKZIOSA-N	1	0	358.486	1.712	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(CC[NH+](Cc3cccnc3)CC2)C1	ZINC000949193831	1003079600	/nfs/dbraw/zinc/07/96/00/1003079600.db2.gz	BLTJGXIJVUMURU-MOPGFXCFSA-N	1	0	371.481	1.866	20	30		FDEDRO
C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2C(=O)CNC2=O)CC1	ZINC001110989311	1003094786	/nfs/dbraw/zinc/09/47/86/1003094786.db2.gz	KSKIAFYYWPOHFW-KFWWJZLASA-N	1	0	360.458	1.006	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCOC2(CC[NH+]([C@@H](C)COC)CC2)C1	ZINC000949209937	1003103364	/nfs/dbraw/zinc/10/33/64/1003103364.db2.gz	XLPGCCZAUJZTND-BZSNNMDCSA-N	1	0	366.502	1.696	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H]1CCC[C@@H](SCC)C1)C1CC[NH+](C)CC1	ZINC000930438583	1003129701	/nfs/dbraw/zinc/12/97/01/1003129701.db2.gz	HEKVTLBEXDYCII-DOTOQJQBSA-N	1	0	365.543	1.723	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)NCC2CC[NH+](CC)CC2)c1	ZINC000930589599	1003296607	/nfs/dbraw/zinc/29/66/07/1003296607.db2.gz	MTXGBWUOYSTDQC-UHFFFAOYSA-N	1	0	362.495	1.945	20	30		FDEDRO
C#Cc1ccc(NC(=O)CCN2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1	ZINC000930646349	1003356750	/nfs/dbraw/zinc/35/67/50/1003356750.db2.gz	FIYPERDDZFOUSB-LJQANCHMSA-N	1	0	360.479	1.897	20	30		FDEDRO
C=C(C)CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)CC2)C1	ZINC000949471346	1003371291	/nfs/dbraw/zinc/37/12/91/1003371291.db2.gz	YODXVWJBTCRCFF-SJORKVTESA-N	1	0	363.502	1.370	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)C[N@H+]([C@@H](C)COC)CCO2	ZINC000949476835	1003378734	/nfs/dbraw/zinc/37/87/34/1003378734.db2.gz	KJFXIIIARYJUOW-BBWFWOEESA-N	1	0	352.475	1.306	20	30		FDEDRO
Cn1cc(Br)c(C(=O)N(CCC#N)CCC[NH+](C)C)cc1=O	ZINC000930704333	1003416749	/nfs/dbraw/zinc/41/67/49/1003416749.db2.gz	WCUICHKZMHTBDL-UHFFFAOYSA-N	1	0	369.263	1.455	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H](C1CC1)[C@H]1CCCCO1)C1CC[NH+](C)CC1	ZINC000930950099	1003699276	/nfs/dbraw/zinc/69/92/76/1003699276.db2.gz	MUQDZZBLPOIQTG-MSOLQXFVSA-N	1	0	361.486	1.006	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1	ZINC000652187647	1016816158	/nfs/dbraw/zinc/81/61/58/1016816158.db2.gz	RBGXDSXFAJVYLO-WKULXVSPSA-N	1	0	351.491	1.896	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOC[C@@H]2CCCO2)cn1	ZINC001111295588	1003724590	/nfs/dbraw/zinc/72/45/90/1003724590.db2.gz	VXSQDOVMWPHFSS-WCIQWLHISA-N	1	0	369.465	1.594	20	30		FDEDRO
N#C[C@H]1CC[C@H]([NH+]2CCN(CCNS(=O)(=O)c3ccccc3)CC2)C1	ZINC000931128019	1003908037	/nfs/dbraw/zinc/90/80/37/1003908037.db2.gz	WXZSWYLAAXOQPA-IRXDYDNUSA-N	1	0	362.499	1.275	20	30		FDEDRO
C[NH+](C)[C@@H]1[C@H]2CN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)C[C@H]21	ZINC000931280499	1004021603	/nfs/dbraw/zinc/02/16/03/1004021603.db2.gz	NMZPTLIMLNRSIU-VQFNDLOPSA-N	1	0	350.426	1.174	20	30		FDEDRO
C[NH+]1C[C@@]2(C)CN(CC#CCN3C(=O)c4ccccc4C3=O)C[C@]2(C)C1	ZINC000931315960	1004050233	/nfs/dbraw/zinc/05/02/33/1004050233.db2.gz	DXGIHGRXXPAKJW-SFTDATJTSA-N	1	0	351.450	1.560	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cnn(CC[NH+](C)C)c2)c1	ZINC000931345522	1004074242	/nfs/dbraw/zinc/07/42/42/1004074242.db2.gz	RTNGUWFMBVNQOY-UHFFFAOYSA-N	1	0	374.466	1.494	20	30		FDEDRO
COc1cc(C#N)ccc1C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C	ZINC000931515922	1004232385	/nfs/dbraw/zinc/23/23/85/1004232385.db2.gz	NDCDTSQWJFGLJL-INIZCTEOSA-N	1	0	358.442	1.239	20	30		FDEDRO
COc1ccccc1C[C@](C)(CO)[NH2+]C[C@H](O)CC1(C#N)CCOCC1	ZINC000931599962	1004303317	/nfs/dbraw/zinc/30/33/17/1004303317.db2.gz	GANUERCQGHLLMS-IEBWSBKVSA-N	1	0	362.470	1.650	20	30		FDEDRO
COc1ccccc1C[C@](C)(CO)[NH2+]C[C@H](O)COc1ccc(C#N)cc1	ZINC000931608492	1004312644	/nfs/dbraw/zinc/31/26/44/1004312644.db2.gz	ZGFOSFSAUYJXGF-GHTZIAJQSA-N	1	0	370.449	1.890	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3c(C)ncc3C1)C2	ZINC001111022118	1004711228	/nfs/dbraw/zinc/71/12/28/1004711228.db2.gz	KMIKZUOYJGEWGS-ISARSNTHSA-N	1	0	358.486	1.678	20	30		FDEDRO
C[C@@]1(C2CC[NH+](C[C@H](O)COc3ccc(CC#N)cc3)CC2)COC(=O)N1	ZINC000932088532	1004762826	/nfs/dbraw/zinc/76/28/26/1004762826.db2.gz	FHHRQIOSWPAHAJ-PXNSSMCTSA-N	1	0	373.453	1.703	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC([C@@]2(C)COC(=O)N2)CC1	ZINC000932089296	1004763769	/nfs/dbraw/zinc/76/37/69/1004763769.db2.gz	KFCHVJPHUUMARE-JEBQAFNWSA-N	1	0	350.463	1.640	20	30		FDEDRO
COc1ncc(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1C#N	ZINC000932506731	1004991045	/nfs/dbraw/zinc/99/10/45/1004991045.db2.gz	FQNXAZXNQIAZOC-UHFFFAOYSA-N	1	0	359.430	1.728	20	30		FDEDRO
COc1ncc(NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1C#N	ZINC000932510388	1004993658	/nfs/dbraw/zinc/99/36/58/1004993658.db2.gz	RIEUEAPMTDMFJY-MRXNPFEDSA-N	1	0	359.430	1.727	20	30		FDEDRO
C[N@@H+]1CC[C@H]1CNC(=O)Nc1ccc(C#N)cc1I	ZINC000932547657	1005008515	/nfs/dbraw/zinc/00/85/15/1005008515.db2.gz	PJZHUSDHGACHAS-JTQLQIEISA-N	1	0	370.194	1.988	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C1	ZINC000932725987	1005129841	/nfs/dbraw/zinc/12/98/41/1005129841.db2.gz	LZOZYDUMFXTXAZ-HRCADAONSA-N	1	0	364.490	1.936	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@H](CC#N)C(F)(F)F	ZINC000932896045	1005234428	/nfs/dbraw/zinc/23/44/28/1005234428.db2.gz	WZNCVSZHZBJRAT-CYBMUJFWSA-N	1	0	350.385	1.831	20	30		FDEDRO
C#CCN(C(=O)C(=O)NC[C@@H]1CC(C)(C)OC1(C)C)C1CC[NH+](C)CC1	ZINC000932952390	1005271386	/nfs/dbraw/zinc/27/13/86/1005271386.db2.gz	VDSDQWNYFSMPPE-HNNXBMFYSA-N	1	0	363.502	1.252	20	30		FDEDRO
CCO[C@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1	ZINC000932970115	1005293543	/nfs/dbraw/zinc/29/35/43/1005293543.db2.gz	UNRFYJQVGCGSMR-HOTGVXAUSA-N	1	0	362.499	1.568	20	30		FDEDRO
C[C@@](CO)(Cc1ccccc1F)[NH2+]CC(=O)NCc1cccc(C#N)c1	ZINC000933434867	1005556640	/nfs/dbraw/zinc/55/66/40/1005556640.db2.gz	MFVLCEPTMSFJNQ-FQEVSTJZSA-N	1	0	355.413	1.897	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CC[NH+]1CCC(CN2CCNC2=O)CC1	ZINC000933584845	1005583655	/nfs/dbraw/zinc/58/36/55/1005583655.db2.gz	LGZXWDXSIFJVOV-UHFFFAOYSA-N	1	0	355.442	1.624	20	30		FDEDRO
C[C@@](CO)([NH2+]CC(=O)NC1(C#N)CCC1)c1cccc(Br)c1	ZINC000934494977	1005752428	/nfs/dbraw/zinc/75/24/28/1005752428.db2.gz	MUVNVHYUUSMUFZ-HNNXBMFYSA-N	1	0	366.259	1.809	20	30		FDEDRO
C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1	ZINC000935399244	1005905009	/nfs/dbraw/zinc/90/50/09/1005905009.db2.gz	HKEPXPQYHIXAQX-KSSFIOAISA-N	1	0	355.479	1.419	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2	ZINC001111097159	1005924131	/nfs/dbraw/zinc/92/41/31/1005924131.db2.gz	NEBKFNYPQGVFMM-TVFCKZIOSA-N	1	0	362.518	1.275	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NC[C@@H]3Cc4ccccc4O3)=[NH+]C[C@@H]2C1	ZINC000089120464	1006010845	/nfs/dbraw/zinc/01/08/45/1006010845.db2.gz	PASZGCBBXFAXPW-CVEARBPZSA-N	1	0	372.469	1.871	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NC[C@@](C)(O)c3ccccc3)=[NH+]C[C@H]2C1	ZINC000089120977	1006011808	/nfs/dbraw/zinc/01/18/08/1006011808.db2.gz	QQICNAGIDNIREJ-OXJNMPFZSA-N	1	0	374.485	1.775	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3ccnc3)nn1)C2	ZINC001111138503	1006389683	/nfs/dbraw/zinc/38/96/83/1006389683.db2.gz	IYBWIWFHIAOKDY-OIISXLGYSA-N	1	0	352.442	1.964	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1	ZINC000954381116	1006652512	/nfs/dbraw/zinc/65/25/12/1006652512.db2.gz	VCGGHQQTQGCRRE-IEZWGBDMSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000954404807	1006722309	/nfs/dbraw/zinc/72/23/09/1006722309.db2.gz	MYVVEJYMSRIYFW-MLHJIOFPSA-N	1	0	363.502	1.367	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1	ZINC000954641718	1006928096	/nfs/dbraw/zinc/92/80/96/1006928096.db2.gz	ZOTKBOFPACKTCX-QZTJIDSGSA-N	1	0	362.433	1.406	20	30		FDEDRO
CC[NH+](CC)[C@H]1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1	ZINC000247461245	1006929053	/nfs/dbraw/zinc/92/90/53/1006929053.db2.gz	QQNOLCWJTKVFGL-PXNSSMCTSA-N	1	0	369.469	1.699	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1	ZINC000954772043	1007013911	/nfs/dbraw/zinc/01/39/11/1007013911.db2.gz	FYKRUMNRFIFHBO-MSOLQXFVSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1	ZINC000954772079	1007014128	/nfs/dbraw/zinc/01/41/28/1007014128.db2.gz	GYJCHIJHVSELEX-NXHRZFHOSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1	ZINC000954781979	1007020943	/nfs/dbraw/zinc/02/09/43/1007020943.db2.gz	HOLYUNVDPDHGOS-MOPGFXCFSA-N	1	0	371.481	1.622	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1	ZINC000954787545	1007024705	/nfs/dbraw/zinc/02/47/05/1007024705.db2.gz	IDBUNTBHPWVGCA-FGTMMUONSA-N	1	0	363.502	1.367	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C3CCOCC3)nn1)C2	ZINC001111239827	1007031251	/nfs/dbraw/zinc/03/12/51/1007031251.db2.gz	CTCMAVOVPNMWOX-NUJGCVRESA-N	1	0	359.474	1.931	20	30		FDEDRO
C=CCC1(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CCOCC1	ZINC000641672823	1007106134	/nfs/dbraw/zinc/10/61/34/1007106134.db2.gz	ZVSINYMMXKQAAE-SFHVURJKSA-N	1	0	365.518	1.272	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@H]1CC	ZINC001114596802	1007237794	/nfs/dbraw/zinc/23/77/94/1007237794.db2.gz	DKUGABYSNSRWCK-GJGATLCTSA-N	1	0	363.502	1.273	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000955364580	1007384329	/nfs/dbraw/zinc/38/43/29/1007384329.db2.gz	LTZXMUARLOCNAJ-SJORKVTESA-N	1	0	354.410	1.208	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncsc1C(C)C)C2	ZINC001111267816	1007404024	/nfs/dbraw/zinc/40/40/24/1007404024.db2.gz	KCSVEGJCXLJMPD-MCIONIFRSA-N	1	0	362.499	1.904	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC000956977220	1007434351	/nfs/dbraw/zinc/43/43/51/1007434351.db2.gz	ALGJTHYTUPRWTP-FSPWUOQZSA-N	1	0	369.469	1.337	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@](C)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC000957014780	1007535027	/nfs/dbraw/zinc/53/50/27/1007535027.db2.gz	FYIGWKFZTUBDRP-WIBUTAKZSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1	ZINC000956058610	1007831068	/nfs/dbraw/zinc/83/10/68/1007831068.db2.gz	YFQLVXJMZKDTTM-BBWFWOEESA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCN2C(=O)[C@H]2CC[C@@H](C)O2)CC1	ZINC000956244976	1007969358	/nfs/dbraw/zinc/96/93/58/1007969358.db2.gz	JVLCRFGLXYYMAN-BPQIPLTHSA-N	1	0	361.486	1.006	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@]2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000957264739	1008059324	/nfs/dbraw/zinc/05/93/24/1008059324.db2.gz	CMGQSOBYKSIQSU-FQELHTAISA-N	1	0	353.466	1.729	20	30		FDEDRO
C#Cc1ccc(C(=O)NC2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cn1	ZINC000956439126	1008149578	/nfs/dbraw/zinc/14/95/78/1008149578.db2.gz	NENDQZBXWIVTBB-CRAIPNDOSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)cn1	ZINC000957466537	1008314694	/nfs/dbraw/zinc/31/46/94/1008314694.db2.gz	XXNWOHMPZRPGNY-ZTFGCOKTSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)C1CC[NH+](C)CC1	ZINC000950193463	1008818922	/nfs/dbraw/zinc/81/89/22/1008818922.db2.gz	YNGLSPVEKZNKTQ-BZSNNMDCSA-N	1	0	363.502	1.417	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(Cc4ccc(C#N)cc4F)C[C@H]32)CC[N@@H+]1C	ZINC000959966779	1009222712	/nfs/dbraw/zinc/22/27/12/1009222712.db2.gz	NGPYMBBMTQSEAK-OCBLOMHFSA-N	1	0	370.472	1.974	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccc(CF)cc2)C1	ZINC000950648591	1009468850	/nfs/dbraw/zinc/46/88/50/1009468850.db2.gz	SMCXKXSQTFRTHA-LZQZEXGQSA-N	1	0	371.456	1.830	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(N(C)C)cc1)C2	ZINC001111318576	1009502166	/nfs/dbraw/zinc/50/21/66/1009502166.db2.gz	HHIPIAVOHWQEOK-PIKADFDJSA-N	1	0	370.497	1.778	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCCN2CCCCCC2=O)CC1	ZINC000303785271	1009583364	/nfs/dbraw/zinc/58/33/64/1009583364.db2.gz	QDVHSGXFVZMXEN-UHFFFAOYSA-N	1	0	367.494	1.304	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@H+]3C)[C@H]2C1	ZINC000960140107	1009585843	/nfs/dbraw/zinc/58/58/43/1009585843.db2.gz	WLRXFPDNCMWSMH-QLFBSQMISA-N	1	0	369.893	1.298	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH+]1CCC(Nc2ccc(C)nn2)CC1	ZINC001111321669	1009599193	/nfs/dbraw/zinc/59/91/93/1009599193.db2.gz	YHLWQCCEKZHFHT-SJORKVTESA-N	1	0	359.474	1.369	20	30		FDEDRO
C[C@@H]1CC[C@H](C(=O)NCC[NH+]2CCC(Nc3ncccc3C#N)CC2)O1	ZINC001111321434	1009599788	/nfs/dbraw/zinc/59/97/88/1009599788.db2.gz	NQBIOZOVQXZOSH-RHSMWYFYSA-N	1	0	357.458	1.513	20	30		FDEDRO
NC(=O)c1cccc(CNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)c1	ZINC000303878986	1009647136	/nfs/dbraw/zinc/64/71/36/1009647136.db2.gz	GIHLNKANXOMZMR-UHFFFAOYSA-N	1	0	355.417	1.562	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](O)COC)CCOCC1	ZINC001111332521	1009710808	/nfs/dbraw/zinc/71/08/08/1009710808.db2.gz	DAZXBFSGMQXRQA-VQHPVUNQSA-N	1	0	352.475	1.088	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1	ZINC000648131169	1010197061	/nfs/dbraw/zinc/19/70/61/1010197061.db2.gz	PYDQTUDYEBLVCG-SFHVURJKSA-N	1	0	363.483	1.367	20	30		FDEDRO
C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@]1(COC)CCC[NH2+]1	ZINC000648136562	1010208813	/nfs/dbraw/zinc/20/88/13/1010208813.db2.gz	UXARDFFHNCGBSE-FQEVSTJZSA-N	1	0	370.453	1.936	20	30		FDEDRO
[NH2+]=C(NCCNC(=O)Cc1cccc(F)c1)N[C@H]1CCOc2ccccc21	ZINC000304510228	1010231634	/nfs/dbraw/zinc/23/16/34/1010231634.db2.gz	SNRVYQZKYLVPFJ-KRWDZBQOSA-N	1	0	370.428	1.913	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1	ZINC000951078619	1010428747	/nfs/dbraw/zinc/42/87/47/1010428747.db2.gz	DNFPVZSDPHKZAG-MKXGPGLRSA-N	1	0	373.497	1.006	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)CCCC3)C2	ZINC001111354759	1010439175	/nfs/dbraw/zinc/43/91/75/1010439175.db2.gz	NUYNLVYQRTVXQG-AQNXPRMDSA-N	1	0	365.477	1.650	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3cnnn3)cc1)C2	ZINC001111364788	1010744467	/nfs/dbraw/zinc/74/44/67/1010744467.db2.gz	JTOZZGUUZIBPNP-KURKYZTESA-N	1	0	368.441	1.200	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC000951957987	1011147680	/nfs/dbraw/zinc/14/76/80/1011147680.db2.gz	OANRWRREEVJOGX-ZTFGCOKTSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2snnc2C)C1	ZINC000962413730	1011242798	/nfs/dbraw/zinc/24/27/98/1011242798.db2.gz	BZBGPGNQMABFSD-UJJWPFCGSA-N	1	0	350.488	1.812	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CC1	ZINC000098094039	1011419027	/nfs/dbraw/zinc/41/90/27/1011419027.db2.gz	YPEHPDDJJZRJSW-UHFFFAOYSA-N	1	0	369.509	1.857	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H](O)C2)C1	ZINC000963004310	1011749183	/nfs/dbraw/zinc/74/91/83/1011749183.db2.gz	RSSIFMZZSKDJPX-ZACQAIPSSA-N	1	0	363.502	1.295	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCOc1cccc(C)c1)C2	ZINC001111400568	1011760733	/nfs/dbraw/zinc/76/07/33/1011760733.db2.gz	GNOQMTOXOCWLEP-QRQLOZEOSA-N	1	0	369.465	1.235	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1	ZINC000963040875	1011775722	/nfs/dbraw/zinc/77/57/22/1011775722.db2.gz	HDAWEKLHBBQENS-CABCVRRESA-N	1	0	371.909	1.185	20	30		FDEDRO
COC[C@@]1(C)CC(=O)N(CN2CCCN(c3ccccc3C#N)CC2)C1	ZINC000083107964	1011795586	/nfs/dbraw/zinc/79/55/86/1011795586.db2.gz	STWAEBZACNSPDP-FQEVSTJZSA-N	1	0	356.470	1.913	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c(C)nc(C)[nH]c1=O)C2	ZINC001111403026	1012081841	/nfs/dbraw/zinc/08/18/41/1012081841.db2.gz	WCSSWBXWCQSPQT-OIISXLGYSA-N	1	0	360.458	1.266	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]3C2)CC[N@@H+]1C	ZINC000961281358	1012168688	/nfs/dbraw/zinc/16/86/88/1012168688.db2.gz	FRFNDVLRAXHXQG-UIBIWLFHSA-N	1	0	369.469	1.147	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCc3ccccc31)C2	ZINC001111413590	1012402923	/nfs/dbraw/zinc/40/29/23/1012402923.db2.gz	YGFQXCSQCQLYHP-GGPKGHCWSA-N	1	0	355.482	1.973	20	30		FDEDRO
Cc1cc(C(=O)N2CCN(CCO)CC2)c(C)n1-c1ccc(C#N)cc1	ZINC000087084215	1012407155	/nfs/dbraw/zinc/40/71/55/1012407155.db2.gz	KSZVEXJMYRBNQI-UHFFFAOYSA-N	1	0	352.438	1.716	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnn(C(C)(C)C)c3)C[C@H]21	ZINC000961816834	1012883707	/nfs/dbraw/zinc/88/37/07/1012883707.db2.gz	PYEXZKKRFYYULD-ZBRFXRBCSA-N	1	0	358.486	1.776	20	30		FDEDRO
Cn1cc(C[NH2+]CCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C#N	ZINC000190835099	178026819	/nfs/dbraw/zinc/02/68/19/178026819.db2.gz	DLWPFEJOFLRIBZ-UHFFFAOYSA-N	1	0	369.444	1.864	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)N1CCN(C(=O)C[NH+](CC)CC)CC1	ZINC000507759398	538923015	/nfs/dbraw/zinc/92/30/15/538923015.db2.gz	PSEFUEDSHRLOFG-KRWDZBQOSA-N	1	0	350.507	1.062	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)N2CCC(C[NH3+])CC2)c1	ZINC000238036417	178344763	/nfs/dbraw/zinc/34/47/63/178344763.db2.gz	GNOYZKFXZGZVPW-UHFFFAOYSA-N	1	0	358.261	1.680	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)CC1	ZINC000513202879	538989950	/nfs/dbraw/zinc/98/99/50/538989950.db2.gz	VGDBOSIRQVKAGQ-AWEZNQCLSA-N	1	0	373.501	1.351	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)NCC[N@@H+]2CCCOCC2)n1	ZINC000514990782	539023023	/nfs/dbraw/zinc/02/30/23/539023023.db2.gz	DXOOGHOPCLQITC-UHFFFAOYSA-N	1	0	372.404	1.727	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1	ZINC000066377502	210210986	/nfs/dbraw/zinc/21/09/86/210210986.db2.gz	BTFNKWUYVHRLAU-ZJPYXAASSA-N	1	0	350.507	1.568	20	30		FDEDRO
C[NH+]1CCN(C[C@H](NC(=O)NCC2(C#N)CCC2)c2ccccc2)CC1	ZINC000516960623	539336441	/nfs/dbraw/zinc/33/64/41/539336441.db2.gz	DVEJLWSBUPZYRX-SFHVURJKSA-N	1	0	355.486	1.968	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@](C)(CCO)COC)c(OC)c1	ZINC000267964551	674043867	/nfs/dbraw/zinc/04/38/67/674043867.db2.gz	UKBDIKJVQIMQIS-VQIMIIECSA-N	1	0	353.459	1.541	20	30		FDEDRO
CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H]3CCN(c4sccc4C#N)C3=O)[C@H]2C1	ZINC000520884178	539511880	/nfs/dbraw/zinc/51/18/80/539511880.db2.gz	MYOLLMAAIHPUNC-QAETUUGQSA-N	1	0	372.494	1.962	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(CC(=O)NCc2ccc(C#N)cc2)CC1	ZINC000264608972	179147496	/nfs/dbraw/zinc/14/74/96/179147496.db2.gz	MXLJMJOVAUDYQB-HXUWFJFHSA-N	1	0	369.513	1.276	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1	ZINC000265404799	179367606	/nfs/dbraw/zinc/36/76/06/179367606.db2.gz	BNJOHUIYRUSNGZ-AWEZNQCLSA-N	1	0	358.442	1.744	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)n1	ZINC000546882365	542249547	/nfs/dbraw/zinc/24/95/47/542249547.db2.gz	AOAWOYCBFBGHGK-SJORKVTESA-N	1	0	354.458	1.412	20	30		FDEDRO
C[C@H]1C[N@H+](CC(C)(C)O)CCN1CC#CCN1C(=O)c2ccccc2C1=O	ZINC000528466340	539758418	/nfs/dbraw/zinc/75/84/18/539758418.db2.gz	OGVZHPVRWDWRBR-INIZCTEOSA-N	1	0	369.465	1.063	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1	ZINC000528476336	539760596	/nfs/dbraw/zinc/76/05/96/539760596.db2.gz	MULVHVKZDKNYJY-FMKPAKJESA-N	1	0	358.360	1.933	20	30		FDEDRO
CS(=O)(=O)[C@@H]1CCCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000528487043	539762100	/nfs/dbraw/zinc/76/21/00/539762100.db2.gz	GTPLWTJJLSANBY-OAHLLOKOSA-N	1	0	374.462	1.185	20	30		FDEDRO
N#Cc1ccnc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-]	ZINC000268536677	180109061	/nfs/dbraw/zinc/10/90/61/180109061.db2.gz	YFWMVZKQEGZHGI-MRXNPFEDSA-N	1	0	353.382	1.693	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1	ZINC000528515346	539765419	/nfs/dbraw/zinc/76/54/19/539765419.db2.gz	DWVCVIWGVBJBSA-MDZRGWNJSA-N	1	0	368.433	1.148	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]C1CCN(c2cccnn2)CC1	ZINC000530235110	539916676	/nfs/dbraw/zinc/91/66/76/539916676.db2.gz	VXFLKSUAHMWFBN-QGZVFWFLSA-N	1	0	353.426	1.347	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)CNc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1	ZINC000530237704	539917401	/nfs/dbraw/zinc/91/74/01/539917401.db2.gz	IYZAAYMDNGXNJL-WOJBJXKFSA-N	1	0	367.449	1.977	20	30		FDEDRO
C[C@H]([NH2+]CC1(N2CCSCC2)CCCC1)C(=O)NC1(C#N)CCC1	ZINC000530327540	539942907	/nfs/dbraw/zinc/94/29/07/539942907.db2.gz	DWGGWBJTFXIVCJ-HNNXBMFYSA-N	1	0	350.532	1.889	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)Cc3cccc(C#N)c3)cn2)CC1	ZINC000530669084	540019256	/nfs/dbraw/zinc/01/92/56/540019256.db2.gz	YJOOKSVOYDAADD-UHFFFAOYSA-N	1	0	363.465	1.954	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C)nn2CCC#N)C[C@@H]1C	ZINC000532565512	540173714	/nfs/dbraw/zinc/17/37/14/540173714.db2.gz	ZHILEWVUNFXKMF-GJZGRUSLSA-N	1	0	360.462	1.375	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(c2cccc(C#N)n2)CC1	ZINC000546895022	542253576	/nfs/dbraw/zinc/25/35/76/542253576.db2.gz	JKODPKDSOPPCFV-WMLDXEAASA-N	1	0	354.458	1.268	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)n(CCC#N)n1	ZINC000533325300	540232947	/nfs/dbraw/zinc/23/29/47/540232947.db2.gz	NGIJCRRGBLRBDI-INIZCTEOSA-N	1	0	372.473	1.521	20	30		FDEDRO
CCc1ccc(CN(C)C(=O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)cc1	ZINC000534099438	540323233	/nfs/dbraw/zinc/32/32/33/540323233.db2.gz	NCRFFSNSVAAOKO-UHFFFAOYSA-N	1	0	368.485	1.949	20	30		FDEDRO
CCOC(=O)c1ccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)nc1C	ZINC000534790919	540412898	/nfs/dbraw/zinc/41/28/98/540412898.db2.gz	CUIMJZQVEUYYLR-UHFFFAOYSA-N	1	0	370.413	1.566	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000536342784	540580641	/nfs/dbraw/zinc/58/06/41/540580641.db2.gz	MLOFAYAOBFBSKM-UHFFFAOYSA-N	1	0	370.501	1.813	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1	ZINC000537168466	540695376	/nfs/dbraw/zinc/69/53/76/540695376.db2.gz	UUQHNBLDEHBWFT-KRWDZBQOSA-N	1	0	358.486	1.887	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000538252773	540832539	/nfs/dbraw/zinc/83/25/39/540832539.db2.gz	NJVHPJYRNZZAIK-SJORKVTESA-N	1	0	358.486	1.744	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)C[C@@H]1[NH+]1CCCC1	ZINC000275433304	181316973	/nfs/dbraw/zinc/31/69/73/181316973.db2.gz	FMTVLRWONOSOHM-GJZGRUSLSA-N	1	0	369.487	1.898	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H]4CC[N@@H+](C)C[C@H]43)cc2C1=O	ZINC000538713989	540884092	/nfs/dbraw/zinc/88/40/92/540884092.db2.gz	BKRQHOZAHHUVMR-CXAGYDPISA-N	1	0	353.422	1.635	20	30		FDEDRO
N#CCCCS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000538758619	540888841	/nfs/dbraw/zinc/88/88/41/540888841.db2.gz	ACGJKHDAVXMXJW-SJORKVTESA-N	1	0	351.472	1.093	20	30		FDEDRO
N#CC1(NC(=O)COC[C@H]2CCCO2)CC[NH+](Cc2ccccc2)CC1	ZINC000538693850	540881401	/nfs/dbraw/zinc/88/14/01/540881401.db2.gz	ZBYIJKVEYJNWNT-GOSISDBHSA-N	1	0	357.454	1.857	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)N3CCC(CC#N)CC3)ccn2)CC1	ZINC000540987819	541132108	/nfs/dbraw/zinc/13/21/08/541132108.db2.gz	CFQPJNGGLWSIOR-UHFFFAOYSA-N	1	0	356.474	1.669	20	30		FDEDRO
CC[NH+](CC)CCOCCNC(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000541730474	541255415	/nfs/dbraw/zinc/25/54/15/541255415.db2.gz	VDXAOAVOIJMNDJ-UHFFFAOYSA-N	1	0	366.849	1.625	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1	ZINC000542830249	541480974	/nfs/dbraw/zinc/48/09/74/541480974.db2.gz	ZCSBZRBVTMMRRG-CQSZACIVSA-N	1	0	361.494	1.558	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1cnn(C)c1	ZINC000544469545	541772570	/nfs/dbraw/zinc/77/25/70/541772570.db2.gz	UQJUOJZMUBFOGS-ZBFHGGJFSA-N	1	0	372.498	1.541	20	30		FDEDRO
CC[NH+](CC)CCOCCNC(=O)C(=O)Nc1ccc(C#N)cc1F	ZINC000544561769	541788576	/nfs/dbraw/zinc/78/85/76/541788576.db2.gz	NWXKHPWXKAZQIE-UHFFFAOYSA-N	1	0	350.394	1.110	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(C#N)cc1	ZINC000283848859	182292216	/nfs/dbraw/zinc/29/22/16/182292216.db2.gz	FRDQSSCUPYLWDN-DXJOGWAWSA-N	1	0	354.454	1.867	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)c1ccc(C#N)cc1	ZINC000284086510	182360353	/nfs/dbraw/zinc/36/03/53/182360353.db2.gz	SHHHCBLQABLEHA-JCGIZDLHSA-N	1	0	354.454	1.678	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1)c1ccc(C#N)cc1	ZINC000284100157	182364985	/nfs/dbraw/zinc/36/49/85/182364985.db2.gz	TZTQFGYEAVNZRP-OAHLLOKOSA-N	1	0	368.437	1.919	20	30		FDEDRO
CC1CC[NH+](CCNC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1	ZINC000546175769	542115692	/nfs/dbraw/zinc/11/56/92/542115692.db2.gz	QOSMTDLHLNUTSM-UHFFFAOYSA-N	1	0	356.474	1.517	20	30		FDEDRO
CC[NH+]1CCC(CCNC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1	ZINC000546189857	542120324	/nfs/dbraw/zinc/12/03/24/542120324.db2.gz	OGTJYBHUAVCZAH-UHFFFAOYSA-N	1	0	370.501	1.907	20	30		FDEDRO
C[C@H](C(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1)n1cnc(C#N)n1	ZINC000546268688	542135787	/nfs/dbraw/zinc/13/57/87/542135787.db2.gz	JJFNRBDASKYFBQ-OAHLLOKOSA-N	1	0	368.441	1.848	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000286208739	183014112	/nfs/dbraw/zinc/01/41/12/183014112.db2.gz	WSMBWWVXIGVSGL-INIZCTEOSA-N	1	0	362.449	1.608	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000286397970	183055864	/nfs/dbraw/zinc/05/58/64/183055864.db2.gz	UCMFANBUAKUSOF-INIZCTEOSA-N	1	0	362.449	1.608	20	30		FDEDRO
Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN(C)CCC(N)=O)c1C#N	ZINC000286455143	183070535	/nfs/dbraw/zinc/07/05/35/183070535.db2.gz	MTKZOBMNQCTNHR-UHFFFAOYSA-N	1	0	371.416	1.851	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(C(=O)c2ccc(F)c(C#N)c2)CC1	ZINC000286662377	183122675	/nfs/dbraw/zinc/12/26/75/183122675.db2.gz	MDJLPRMHVRSVGW-UHFFFAOYSA-N	1	0	363.433	1.897	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C	ZINC000288117776	183399303	/nfs/dbraw/zinc/39/93/03/183399303.db2.gz	NGMJYRKBCYFMDK-ZBFHGGJFSA-N	1	0	370.453	1.981	20	30		FDEDRO
CCOC[C@@H](C)CS(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000295044719	184029784	/nfs/dbraw/zinc/02/97/84/184029784.db2.gz	AEZKPDSSYBCZHR-MRXNPFEDSA-N	1	0	367.515	1.924	20	30		FDEDRO
N#Cc1cc(F)ccc1CS(=O)(=O)N1CCC[C@H]1CN1CCOCC1	ZINC000295226892	184047331	/nfs/dbraw/zinc/04/73/31/184047331.db2.gz	NWOARLOEEBZSQZ-KRWDZBQOSA-N	1	0	367.446	1.324	20	30		FDEDRO
N#Cc1cc(F)ccc1CS(=O)(=O)NCC1CC[NH+](C2CC2)CC1	ZINC000296393387	184161602	/nfs/dbraw/zinc/16/16/02/184161602.db2.gz	UIZHOLMADQJTKW-UHFFFAOYSA-N	1	0	351.447	1.991	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)cc1Cl	ZINC000296444068	184167468	/nfs/dbraw/zinc/16/74/68/184167468.db2.gz	NPUCCOCGVBJXRQ-AWEZNQCLSA-N	1	0	364.833	1.113	20	30		FDEDRO
C[C@H](C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)[N@H+]1[C@H](C)CC[C@@H]1C	ZINC000298057765	184383612	/nfs/dbraw/zinc/38/36/12/184383612.db2.gz	HOXSFSWZCJROLN-QKPAOTATSA-N	1	0	356.474	1.647	20	30		FDEDRO
C[C@H]1C[C@H](C)C[NH+](CCCCNS(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000170663413	258264180	/nfs/dbraw/zinc/26/41/80/258264180.db2.gz	ABTGCGWZZVCOML-GJZGRUSLSA-N	1	0	350.488	1.990	20	30		FDEDRO
Cc1ccc(C[N@@H+]2CCCN(C(=O)COc3cnc(C#N)nc3)CC2)cc1	ZINC000548283778	542611022	/nfs/dbraw/zinc/61/10/22/542611022.db2.gz	ZQUZTUVBLAYJRP-UHFFFAOYSA-N	1	0	365.437	1.770	20	30		FDEDRO
Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]CC(=O)Nc1ccc(C#N)cc1	ZINC000548336878	542631033	/nfs/dbraw/zinc/63/10/33/542631033.db2.gz	LFXDMJDIGKEAKM-LPHOPBHVSA-N	1	0	353.426	1.967	20	30		FDEDRO
C[C@H]1CN(C(=O)NCC#Cc2cccc(F)c2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000549590043	542902780	/nfs/dbraw/zinc/90/27/80/542902780.db2.gz	DGXQZDIAICUWIB-PXNSSMCTSA-N	1	0	372.488	1.845	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1	ZINC000549980735	542981042	/nfs/dbraw/zinc/98/10/42/542981042.db2.gz	YNUFMQOLWUEHOW-CVEARBPZSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1)C(C)C	ZINC000550834783	543183927	/nfs/dbraw/zinc/18/39/27/543183927.db2.gz	OEUIMVKPTCFBLS-MHORFTMASA-N	1	0	365.518	1.873	20	30		FDEDRO
N#CC1CCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1	ZINC000550928295	543200912	/nfs/dbraw/zinc/20/09/12/543200912.db2.gz	OGSAANGREUPSMN-UHFFFAOYSA-N	1	0	354.454	1.661	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@H](C)[C@H]1CO)C(C)C	ZINC000551219092	543253888	/nfs/dbraw/zinc/25/38/88/543253888.db2.gz	PRYGBUGLEPXEIC-GVDBMIGSSA-N	1	0	351.491	1.031	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@H]1CCc2c[nH]nc2C1)C(C)C	ZINC000551220637	543253977	/nfs/dbraw/zinc/25/39/77/543253977.db2.gz	CNDDERPSFVSGBX-WMZOPIPTSA-N	1	0	373.501	1.198	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000551693639	543323534	/nfs/dbraw/zinc/32/35/34/543323534.db2.gz	QVCLLHGXMBLYNR-OALUTQOASA-N	1	0	364.449	1.875	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1	ZINC000551692051	543323580	/nfs/dbraw/zinc/32/35/80/543323580.db2.gz	AFSGCXQRWIGXQA-GRDNDAEWSA-N	1	0	370.453	1.694	20	30		FDEDRO
Cc1cc(=NC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)[nH]n1CCC#N	ZINC000551993563	543400767	/nfs/dbraw/zinc/40/07/67/543400767.db2.gz	LAWZJLVKBCEAJA-LJQANCHMSA-N	1	0	353.426	1.681	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000552471219	543473091	/nfs/dbraw/zinc/47/30/91/543473091.db2.gz	LJCZFKKIWQZPMZ-MRXNPFEDSA-N	1	0	357.454	1.563	20	30		FDEDRO
C[C@@H](CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C[NH+](C)C	ZINC000552884429	543532065	/nfs/dbraw/zinc/53/20/65/543532065.db2.gz	WCQCDMNWSAHOEP-BBRMVZONSA-N	1	0	371.441	1.077	20	30		FDEDRO
CC[N@H+](C)C[C@@H]1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000072860591	172051824	/nfs/dbraw/zinc/05/18/24/172051824.db2.gz	KCBPHUHVKITAMH-INIZCTEOSA-N	1	0	366.469	1.956	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@H](C(=O)NCC4CC4)C3)C2=O)cc1	ZINC000077031701	172120455	/nfs/dbraw/zinc/12/04/55/172120455.db2.gz	CDKKEWRAJXAUHZ-PKOBYXMFSA-N	1	0	366.465	1.902	20	30		FDEDRO
CC[NH+](CC)C[C@H]1CCN(C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C1	ZINC000081331147	172186313	/nfs/dbraw/zinc/18/63/13/172186313.db2.gz	FFBQEXHDEXWMTN-MRXNPFEDSA-N	1	0	358.486	1.986	20	30		FDEDRO
Cc1nc(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)ccc1C#N	ZINC000089962750	172254036	/nfs/dbraw/zinc/25/40/36/172254036.db2.gz	NOHDJBLRZYNNLG-QZTJIDSGSA-N	1	0	350.422	1.627	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1	ZINC000103492825	172368055	/nfs/dbraw/zinc/36/80/55/172368055.db2.gz	CPWSLNJCKDIICG-MRXNPFEDSA-N	1	0	371.485	1.371	20	30		FDEDRO
Cc1cc(NC(=O)CN2CCN(C[C@@H](O)c3ccc(C#N)cc3)CC2)no1	ZINC000126939686	173059277	/nfs/dbraw/zinc/05/92/77/173059277.db2.gz	GDHBAELKRIUYGH-QGZVFWFLSA-N	1	0	369.425	1.144	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)N2CCCN(c3ncccc3C#N)CC2)C[N@@H+]1C1CC1	ZINC000129988335	173156956	/nfs/dbraw/zinc/15/69/56/173156956.db2.gz	RVBKOWTYSYRAMP-DOTOQJQBSA-N	1	0	368.485	1.800	20	30		FDEDRO
N#Cc1ccc(OC2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)C2)cc1	ZINC000130509742	173173004	/nfs/dbraw/zinc/17/30/04/173173004.db2.gz	JBMFGFJLDRHGGM-IBGZPJMESA-N	1	0	355.438	1.791	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[NH+]2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1	ZINC000131218690	173193633	/nfs/dbraw/zinc/19/36/33/173193633.db2.gz	DOCLAXMVBLIKEG-GOSISDBHSA-N	1	0	369.469	1.301	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2cccc(C#N)c2)CC1	ZINC000136785575	173364899	/nfs/dbraw/zinc/36/48/99/173364899.db2.gz	INODYQUNECGUBM-QGZVFWFLSA-N	1	0	355.442	1.006	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CCC(=O)Nc2ccccc2C#N)CC1	ZINC000141606579	173376263	/nfs/dbraw/zinc/37/62/63/173376263.db2.gz	ZWDGIQNOQNVANC-SFHVURJKSA-N	1	0	369.469	1.125	20	30		FDEDRO
CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000151721242	173409891	/nfs/dbraw/zinc/40/98/91/173409891.db2.gz	ZCEKNSWMBZVAHB-CQSZACIVSA-N	1	0	350.394	1.109	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CCN2CCC(NC(=O)C3CC3)CC2)cc1	ZINC000176208953	174057883	/nfs/dbraw/zinc/05/78/83/174057883.db2.gz	ZWJNVRZUDZMYPH-UHFFFAOYSA-N	1	0	361.467	1.323	20	30		FDEDRO
N#Cc1ccc(N2CC[NH+](CCC(=O)Nc3cc(N)ccc3F)CC2)nc1	ZINC000177020080	174101052	/nfs/dbraw/zinc/10/10/52/174101052.db2.gz	BLGBIIBQOVOESX-UHFFFAOYSA-N	1	0	368.416	1.825	20	30		FDEDRO
C[N@H+](CCCO)C1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1	ZINC000177079197	174105439	/nfs/dbraw/zinc/10/54/39/174105439.db2.gz	FYIAXKKIKSMZTP-MRXNPFEDSA-N	1	0	362.499	1.504	20	30		FDEDRO
Cc1sc(NC(=O)CN2CC[C@H](C[NH+]3CCOCC3)C2)c(C#N)c1C	ZINC000177296983	174120364	/nfs/dbraw/zinc/12/03/64/174120364.db2.gz	ZSIJNIGKZUEZQC-OAHLLOKOSA-N	1	0	362.499	1.829	20	30		FDEDRO
C[C@H](C(=O)Nc1ccccc1C#N)N(C)CC[N@H+](C)C1CCN(C)CC1	ZINC000177377284	174125683	/nfs/dbraw/zinc/12/56/83/174125683.db2.gz	RZWJHEQWFHXPIE-MRXNPFEDSA-N	1	0	357.502	1.843	20	30		FDEDRO
Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2	ZINC000179989289	258360465	/nfs/dbraw/zinc/36/04/65/258360465.db2.gz	CRLAOQNGAMTUAS-DOTOQJQBSA-N	1	0	350.426	1.558	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000178582537	258329253	/nfs/dbraw/zinc/32/92/53/258329253.db2.gz	IKBYMPVWHLSZOX-KRWDZBQOSA-N	1	0	355.442	1.637	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)NCC[C@H]2CC[NH2+]C2)c1	ZINC000178935918	258340276	/nfs/dbraw/zinc/34/02/76/258340276.db2.gz	CYMPEYFBPHSAPG-SNVBAGLBSA-N	1	0	358.261	1.599	20	30		FDEDRO
C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1	ZINC000178938308	258340365	/nfs/dbraw/zinc/34/03/65/258340365.db2.gz	WLYJIIWKOGRUEW-SNVBAGLBSA-N	1	0	358.261	1.551	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1	ZINC000275158075	258457490	/nfs/dbraw/zinc/45/74/90/258457490.db2.gz	ZZANRZBATORKDE-CYBMUJFWSA-N	1	0	368.359	1.887	20	30		FDEDRO
CO[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cnn(C)c1	ZINC000280994444	258634224	/nfs/dbraw/zinc/63/42/24/258634224.db2.gz	JJPGLPAPYFGWLB-GOSISDBHSA-N	1	0	355.442	1.570	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@]2(CO)CC(C)C)CC1	ZINC000553395575	543626108	/nfs/dbraw/zinc/62/61/08/543626108.db2.gz	LXNMCDWFTJQIFQ-HXUWFJFHSA-N	1	0	365.518	1.543	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)NC[C@H]1CCCC[N@H+]1CC	ZINC000553351470	543615664	/nfs/dbraw/zinc/61/56/64/543615664.db2.gz	OHIJSESRNNQOPT-QGZVFWFLSA-N	1	0	359.470	1.858	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C3CCOCC3)C2)CC1	ZINC000553733176	543688538	/nfs/dbraw/zinc/68/85/38/543688538.db2.gz	MDBGVCYSIFXFCC-KRWDZBQOSA-N	1	0	363.502	1.418	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCCn1cnc(C#N)n1	ZINC000553953945	543723729	/nfs/dbraw/zinc/72/37/29/543723729.db2.gz	XOPUFJZMSWXVIJ-HOTGVXAUSA-N	1	0	367.457	1.454	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CCN(C)[C@@H](C(C)C)C1	ZINC000553993025	543729617	/nfs/dbraw/zinc/72/96/17/543729617.db2.gz	WYXFTXSYXGOZRK-QGZVFWFLSA-N	1	0	359.470	1.666	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)cc1	ZINC000555761773	544024492	/nfs/dbraw/zinc/02/44/92/544024492.db2.gz	LCRXJUHSEYFZGB-ROUUACIJSA-N	1	0	364.467	1.242	20	30		FDEDRO
CCC[NH+]1CCC(CNC(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1	ZINC000555772549	544025895	/nfs/dbraw/zinc/02/58/95/544025895.db2.gz	XLOYYAOBDQLBFK-UHFFFAOYSA-N	1	0	354.454	1.686	20	30		FDEDRO
CC[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@@H](C)CO	ZINC000555665974	544000029	/nfs/dbraw/zinc/00/00/29/544000029.db2.gz	LSDRYDFRJQHRRQ-GJZGRUSLSA-N	1	0	350.488	1.160	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1	ZINC000555669274	544000424	/nfs/dbraw/zinc/00/04/24/544000424.db2.gz	MDOXIBWXFHCMQP-UHFFFAOYSA-N	1	0	356.470	1.897	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(=O)n2cc(Br)ccc2n1	ZINC000556344018	544134195	/nfs/dbraw/zinc/13/41/95/544134195.db2.gz	QVAHPIPSAFWLPH-OLZOCXBDSA-N	1	0	350.216	1.890	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000557016418	544235151	/nfs/dbraw/zinc/23/51/51/544235151.db2.gz	ZJEMVMJBEJGBDV-QGZVFWFLSA-N	1	0	361.511	1.660	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000557016453	544235437	/nfs/dbraw/zinc/23/54/37/544235437.db2.gz	BEDKFEDMYUAXRP-HUUCEWRRSA-N	1	0	353.532	1.791	20	30		FDEDRO
C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)Nc1nccc(C#N)c1Cl	ZINC000557627752	544321239	/nfs/dbraw/zinc/32/12/39/544321239.db2.gz	KITZDSYASGPBAY-INIZCTEOSA-N	1	0	371.872	2.308	20	30		FDEDRO
CC(C)(C#N)C(=O)NCCN(CC[NH+]1CCCCC1)C(=O)C(C)(C)C#N	ZINC000557648076	544323384	/nfs/dbraw/zinc/32/33/84/544323384.db2.gz	XOKYTKIMEHFTSC-UHFFFAOYSA-N	1	0	361.490	1.517	20	30		FDEDRO
C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000281889820	258686059	/nfs/dbraw/zinc/68/60/59/258686059.db2.gz	IDTCOUMZCIWEEF-JTQLQIEISA-N	1	0	372.347	1.852	20	30		FDEDRO
C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1	ZINC000558457122	544437291	/nfs/dbraw/zinc/43/72/91/544437291.db2.gz	RYKCILOIALDSLJ-RCCFBDPRSA-N	1	0	374.533	1.778	20	30		FDEDRO
O=C(NCC#Cc1cccc(F)c1)N1CC[NH+](CC2CCOCC2)CC1	ZINC000558955777	544560416	/nfs/dbraw/zinc/56/04/16/544560416.db2.gz	XCMXMEDBUWIFTG-UHFFFAOYSA-N	1	0	359.445	1.931	20	30		FDEDRO
CC(C)[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)C1(CO)CCC1	ZINC000559439647	544685412	/nfs/dbraw/zinc/68/54/12/544685412.db2.gz	ZNOHTOLCPGYLKH-IEBWSBKVSA-N	1	0	364.534	1.456	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)C1	ZINC000559441986	544686215	/nfs/dbraw/zinc/68/62/15/544686215.db2.gz	OTGLCOBDXFPTPM-MAUKXSAKSA-N	1	0	372.469	1.208	20	30		FDEDRO
CN1CC[NH+](CCCCNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1	ZINC000560425807	545004363	/nfs/dbraw/zinc/00/43/63/545004363.db2.gz	CFRJPJJDCDJUAA-UHFFFAOYSA-N	1	0	358.461	1.873	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)c1C#N	ZINC000288848652	258780154	/nfs/dbraw/zinc/78/01/54/258780154.db2.gz	RINILJGIMVUBKC-UHFFFAOYSA-N	1	0	359.474	1.147	20	30		FDEDRO
CC(C)[N@H+](C)CCCNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000298605437	258942489	/nfs/dbraw/zinc/94/24/89/258942489.db2.gz	IBEGHPDNOWFWJX-UHFFFAOYSA-N	1	0	351.472	1.320	20	30		FDEDRO
N#Cc1cccc(NC(=O)C2CC[NH+](CC(=O)N3CCOCC3)CC2)c1	ZINC000299644023	259013458	/nfs/dbraw/zinc/01/34/58/259013458.db2.gz	OAIJTVGGADUCAR-UHFFFAOYSA-N	1	0	356.426	1.068	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N3CCC(C[NH+](C)C)CC3)CC2)o1	ZINC000328700391	259054026	/nfs/dbraw/zinc/05/40/26/259054026.db2.gz	MRJZEYXCXMNQAC-UHFFFAOYSA-N	1	0	359.474	1.871	20	30		FDEDRO
CN(C)C(=O)N1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C(C)(C)C1	ZINC000330687011	259157578	/nfs/dbraw/zinc/15/75/78/259157578.db2.gz	BMOQVXSYXUPDKO-UHFFFAOYSA-N	1	0	357.458	1.965	20	30		FDEDRO
C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(C#N)c2Br)CCO1	ZINC000331332573	259188011	/nfs/dbraw/zinc/18/80/11/259188011.db2.gz	SIPXSPGTQHKSCW-GFCCVEGCSA-N	1	0	352.232	1.723	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1	ZINC000331822031	259221830	/nfs/dbraw/zinc/22/18/30/259221830.db2.gz	PQCQXMZVQPLRHG-KKUMJFAQSA-N	1	0	357.458	1.639	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)C2=O)cc1	ZINC000333554234	259359139	/nfs/dbraw/zinc/35/91/39/259359139.db2.gz	KOVBKLAWYNMNRE-RYRKJORJSA-N	1	0	367.453	1.590	20	30		FDEDRO
CC1(C)CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC[NH2+]1	ZINC000333611718	259363564	/nfs/dbraw/zinc/36/35/64/259363564.db2.gz	QQFZOZUSAPXERS-MRXNPFEDSA-N	1	0	355.442	1.053	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)NC1CCC(N2CC[NH2+]CC2)CC1	ZINC000333625506	259364383	/nfs/dbraw/zinc/36/43/83/259364383.db2.gz	AEJYIERTQAJNHJ-UHFFFAOYSA-N	1	0	362.499	1.361	20	30		FDEDRO
N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@H]3CCC[NH2+]C3)CC2)c1	ZINC000333634303	259365109	/nfs/dbraw/zinc/36/51/09/259365109.db2.gz	HDFCYFQQTAIMTR-KRWDZBQOSA-N	1	0	355.442	1.670	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)nc1	ZINC000333922989	259393624	/nfs/dbraw/zinc/39/36/24/259393624.db2.gz	RWIPIQAPLZSZNN-QBPKDAKJSA-N	1	0	355.442	1.504	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)nc1	ZINC000333922988	259393760	/nfs/dbraw/zinc/39/37/60/259393760.db2.gz	RWIPIQAPLZSZNN-MWDXBVQZSA-N	1	0	355.442	1.504	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](N3CCNCC3=O)C2)cc1C(F)(F)F	ZINC000333925094	259394770	/nfs/dbraw/zinc/39/47/70/259394770.db2.gz	UHDRQNCLWUMPJW-AWEZNQCLSA-N	1	0	352.360	1.978	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CCN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc1	ZINC000367318165	260025421	/nfs/dbraw/zinc/02/54/21/260025421.db2.gz	PNJJAGBHMOEXHL-SJLPKXTDSA-N	1	0	374.510	1.676	20	30		FDEDRO
CN1CCN(C2CCN(c3nc4cc(Cl)ccn4c3C#N)CC2)C(=O)C1	ZINC000367338893	260027277	/nfs/dbraw/zinc/02/72/77/260027277.db2.gz	GLDHETGXQJPLCK-UHFFFAOYSA-N	1	0	372.860	1.602	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCCC[C@H]2n2cccn2)nc1	ZINC000367373781	260031748	/nfs/dbraw/zinc/03/17/48/260031748.db2.gz	YBSDPSATEUYINF-HZPDHXFCSA-N	1	0	359.455	1.697	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCC(=O)N[C@@H]3C3CC3)C2=O)cc1	ZINC000367375094	260031766	/nfs/dbraw/zinc/03/17/66/260031766.db2.gz	PLDSZBDUWNDODA-JENIJYKNSA-N	1	0	352.438	1.700	20	30		FDEDRO
C[N@H+](C[C@H]1CC12CCN(C(=O)NCCn1cnc(C#N)n1)CC2)C1CC1	ZINC000367576164	260064263	/nfs/dbraw/zinc/06/42/63/260064263.db2.gz	OGLWRFJPDPVGTE-CQSZACIVSA-N	1	0	357.462	1.056	20	30		FDEDRO
CS(=O)(=O)N1CC[C@@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1	ZINC000367620693	260069416	/nfs/dbraw/zinc/06/94/16/260069416.db2.gz	QUKHVFMACWKOBT-INIZCTEOSA-N	1	0	362.499	1.398	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H]3CCCS(=O)(=O)C3)C2)c(F)c1	ZINC000367748036	260085495	/nfs/dbraw/zinc/08/54/95/260085495.db2.gz	IALPOBKQLAKCOG-CABCVRRESA-N	1	0	351.447	1.833	20	30		FDEDRO
N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]3C(=O)NC[C@H]3C2)sc2c1CCCC2	ZINC000368097027	260135112	/nfs/dbraw/zinc/13/51/12/260135112.db2.gz	DCXPNTKKFGPYTP-STQMWFEESA-N	1	0	372.494	1.895	20	30		FDEDRO
COC(=O)c1cn([C@H]2CCN([C@H](C)C(=O)Nc3ccccc3C#N)C2)nn1	ZINC000368835139	260245125	/nfs/dbraw/zinc/24/51/25/260245125.db2.gz	PTGIKHLTDVJODL-OCCSQVGLSA-N	1	0	368.397	1.210	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)N2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)c1	ZINC000369321401	260339922	/nfs/dbraw/zinc/33/99/22/260339922.db2.gz	IQAKKGNRZVZKOG-CLLJXQQHSA-N	1	0	370.272	1.964	20	30		FDEDRO
CCOC(=O)C1CCC(O)(C[NH+]2CCC(n3cnc(C#N)n3)CC2)CC1	ZINC000373401576	261007885	/nfs/dbraw/zinc/00/78/85/261007885.db2.gz	ZODNGFPBCQBDDM-UHFFFAOYSA-N	1	0	361.446	1.271	20	30		FDEDRO
C[C@H](C(=O)N1CCC(n2cnc(C#N)n2)CC1)[N@@H+]1CCc2ccccc2C1	ZINC000373416833	261008903	/nfs/dbraw/zinc/00/89/03/261008903.db2.gz	JIKGEMSFKRTRBS-OAHLLOKOSA-N	1	0	364.453	1.760	20	30		FDEDRO
C[NH+]1CCN(C[C@@H]2CCCN(S(=O)(=O)c3ccc(C#N)s3)C2)CC1	ZINC000373815588	261044213	/nfs/dbraw/zinc/04/42/13/261044213.db2.gz	QQNRYXDBCQCPGP-AWEZNQCLSA-N	1	0	368.528	1.268	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)s1	ZINC000373844355	261046395	/nfs/dbraw/zinc/04/63/95/261046395.db2.gz	JGVIHUUPWIMFLX-QWHCGFSZSA-N	1	0	355.485	1.230	20	30		FDEDRO
C[C@H](CO)[N@@H+]1CCCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1	ZINC000374109850	261079592	/nfs/dbraw/zinc/07/95/92/261079592.db2.gz	UOUBIOCDTBHJQD-OAHLLOKOSA-N	1	0	353.426	1.273	20	30		FDEDRO
CCOC(=O)[C@]1(COC)CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000374171600	261088389	/nfs/dbraw/zinc/08/83/89/261088389.db2.gz	JRENEXYBIWCXMF-HXUWFJFHSA-N	1	0	373.453	1.466	20	30		FDEDRO
N#Cc1cnc(N[C@H]2CCCN(CCN3CCOCC3)C2=O)c(Cl)c1	ZINC000374751306	261187849	/nfs/dbraw/zinc/18/78/49/261187849.db2.gz	HKBMGEDHHQNNJW-HNNXBMFYSA-N	1	0	363.849	1.342	20	30		FDEDRO
CS(=O)(=O)N1CC[C@H](C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)C1	ZINC000374875783	261216705	/nfs/dbraw/zinc/21/67/05/261216705.db2.gz	MAKZQTPZTNIHMC-MRXNPFEDSA-N	1	0	363.483	1.683	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1	ZINC000378406956	262018623	/nfs/dbraw/zinc/01/86/23/262018623.db2.gz	GXVKXNNZNNFQOV-MRXNPFEDSA-N	1	0	373.453	1.011	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1)[NH+]1CCCCC1	ZINC000972089482	782057105	/nfs/dbraw/zinc/05/71/05/782057105.db2.gz	YBIHIJFSHZLMHX-SBHAEUEKSA-N	1	0	371.525	1.970	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1C#N	ZINC000535505653	490495886	/nfs/dbraw/zinc/49/58/86/490495886.db2.gz	RUZAEXHKRZHHBT-CYBMUJFWSA-N	1	0	366.425	1.425	20	30		FDEDRO
C[NH+](C)CCCNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1	ZINC000541155165	490853010	/nfs/dbraw/zinc/85/30/10/490853010.db2.gz	IQBVKTTUPMCWII-UHFFFAOYSA-N	1	0	374.832	1.404	20	30		FDEDRO
C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCC[C@](C)(C#N)C3)n2)CC1	ZINC000618862756	492241642	/nfs/dbraw/zinc/24/16/42/492241642.db2.gz	JHAALUCJIGOPJL-GOSISDBHSA-N	1	0	358.446	1.241	20	30		FDEDRO
CN1CC[NH+](CC2CCN(C(=O)Nc3ccn(CCC#N)n3)CC2)CC1	ZINC000610325889	492242658	/nfs/dbraw/zinc/24/26/58/492242658.db2.gz	IQCHUQJLTSNBHV-UHFFFAOYSA-N	1	0	359.478	1.288	20	30		FDEDRO
Cn1cc(C#N)c(NC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)n1	ZINC000610634656	492255995	/nfs/dbraw/zinc/25/59/95/492255995.db2.gz	YEBYTNAQMXJWGJ-UHFFFAOYSA-N	1	0	368.441	1.570	20	30		FDEDRO
COC(=O)C1(O)CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000271407912	674341072	/nfs/dbraw/zinc/34/10/72/674341072.db2.gz	NKOZACCMNQUDBO-UHFFFAOYSA-N	1	0	365.817	1.540	20	30		FDEDRO
CC[NH+](CC)[C@@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)c1ccsc1	ZINC000029622879	519304550	/nfs/dbraw/zinc/30/45/50/519304550.db2.gz	ZXJGFVZBFGSNHO-AWEZNQCLSA-N	1	0	361.471	1.512	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(NC(=O)C3CC3)CC2)cc1	ZINC000030538783	519375336	/nfs/dbraw/zinc/37/53/36/519375336.db2.gz	BVYUKCJWSVPIOK-GOSISDBHSA-N	1	0	357.454	1.483	20	30		FDEDRO
CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000031825100	519465960	/nfs/dbraw/zinc/46/59/60/519465960.db2.gz	FDCZQNWWNCSNDA-CQSZACIVSA-N	1	0	366.487	1.339	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC[N@@H+](CC)C2)cc1	ZINC000069138206	521814927	/nfs/dbraw/zinc/81/49/27/521814927.db2.gz	MHQGVRSFCNJJPS-HNNXBMFYSA-N	1	0	365.499	1.613	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(CC[NH+](C)C)CC1	ZINC000044335186	521945311	/nfs/dbraw/zinc/94/53/11/521945311.db2.gz	GTFYHCBWTLOWRK-UHFFFAOYSA-N	1	0	360.506	1.052	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1cccc(OCCCC#N)c1)[NH+]1CCCC1	ZINC000070965711	522066083	/nfs/dbraw/zinc/06/60/83/522066083.db2.gz	CGMZSAPIXCMOMR-HNNXBMFYSA-N	1	0	358.442	1.908	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCCn3cncn3)CC2)cc1	ZINC000045648265	522127843	/nfs/dbraw/zinc/12/78/43/522127843.db2.gz	WMLXMMOMAPRQMV-UHFFFAOYSA-N	1	0	367.457	1.457	20	30		FDEDRO
CC[NH+](CC)CCOC1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1	ZINC000072694587	522360475	/nfs/dbraw/zinc/36/04/75/522360475.db2.gz	FATLRNSFGXURGL-IBGZPJMESA-N	1	0	358.486	1.907	20	30		FDEDRO
C[NH+]1CCC(n2c(=O)/c(=C/c3ccc(F)cc3)sc2=C(C#N)C#N)CC1	ZINC000063452570	522591881	/nfs/dbraw/zinc/59/18/81/522591881.db2.gz	BPGLXLALKBNYNE-YVLHZVERSA-N	1	0	368.437	1.342	20	30		FDEDRO
C[NH+]=C(NCc1cn2c(n1)CCCC2)N1CCN(C(=O)c2ccco2)CC1	ZINC000073982758	522651865	/nfs/dbraw/zinc/65/18/65/522651865.db2.gz	OITOXMVIIUPCPD-UHFFFAOYSA-N	1	0	370.457	1.346	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)NCC#Cc3ccccc3)ccn2)CC1	ZINC000048415385	522730936	/nfs/dbraw/zinc/73/09/36/522730936.db2.gz	WOWZNXBHVNUOAV-UHFFFAOYSA-N	1	0	363.465	1.684	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000064776877	522754942	/nfs/dbraw/zinc/75/49/42/522754942.db2.gz	NVFMEYNJFKBCMQ-ZNMIVQPWSA-N	1	0	372.469	1.988	20	30		FDEDRO
COc1cccc([C@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2)[NH+](C)C)c1	ZINC000048845191	522787518	/nfs/dbraw/zinc/78/75/18/522787518.db2.gz	HDPFEIRXPKQNJP-SFHVURJKSA-N	1	0	366.421	1.924	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1	ZINC000050165558	522895410	/nfs/dbraw/zinc/89/54/10/522895410.db2.gz	BXDXGAJHTVSYOI-GJZGRUSLSA-N	1	0	372.469	1.990	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1	ZINC000050202660	522899653	/nfs/dbraw/zinc/89/96/53/522899653.db2.gz	SYAAFWZIALVCRE-HNNXBMFYSA-N	1	0	356.426	1.592	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CC1(N2CCSCC2)CCCC1	ZINC000075732965	522963772	/nfs/dbraw/zinc/96/37/72/522963772.db2.gz	GSFGLJLVIFVKKY-AWEZNQCLSA-N	1	0	354.520	1.338	20	30		FDEDRO
N#Cc1cnn(-c2ccc(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)cc2)c1N	ZINC000066240601	522995730	/nfs/dbraw/zinc/99/57/30/522995730.db2.gz	VUQNGLSSZPHSFZ-IAGOWNOFSA-N	1	0	350.426	1.683	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCC[NH+]1CCCCC1	ZINC000076226651	523047318	/nfs/dbraw/zinc/04/73/18/523047318.db2.gz	QFZMVDZRFFIDOB-UHFFFAOYSA-N	1	0	361.417	1.768	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NCC[N@H+]1CCCC[C@H]1C	ZINC000076239230	523052469	/nfs/dbraw/zinc/05/24/69/523052469.db2.gz	BBNHZQLDURZGQO-CQSZACIVSA-N	1	0	361.417	1.767	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](CCC)C1	ZINC000076266432	523056537	/nfs/dbraw/zinc/05/65/37/523056537.db2.gz	WDSXZUCHKQTJOH-CQSZACIVSA-N	1	0	361.417	1.624	20	30		FDEDRO
Cc1nc(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)ccc1C#N	ZINC000066464097	523065505	/nfs/dbraw/zinc/06/55/05/523065505.db2.gz	LUUDLCPRFJHMBC-UHFFFAOYSA-N	1	0	365.437	1.483	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3CCCC3)nc2)CC1	ZINC000076526318	523130044	/nfs/dbraw/zinc/13/00/44/523130044.db2.gz	BTLJSOKCZXPUDX-UHFFFAOYSA-N	1	0	357.458	1.387	20	30		FDEDRO
COc1cc(C#N)ccc1OCCN1CCN([C@H]2CCC[N@H+](C)C2)CC1	ZINC000077316327	523293892	/nfs/dbraw/zinc/29/38/92/523293892.db2.gz	OZEYLCNYKSMZAL-SFHVURJKSA-N	1	0	358.486	1.657	20	30		FDEDRO
CC[C@@H](C)[N@H+](C)CCNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000067421441	523443966	/nfs/dbraw/zinc/44/39/66/523443966.db2.gz	MVJYEZKTXMVJJU-OAHLLOKOSA-N	1	0	358.490	1.952	20	30		FDEDRO
CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ncn(Cc2ccccc2)n1	ZINC000077770279	523457746	/nfs/dbraw/zinc/45/77/46/523457746.db2.gz	VVEQAWJWWJYPQK-AWEZNQCLSA-N	1	0	358.446	1.761	20	30		FDEDRO
C=C(Cl)CNC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000077792076	523464607	/nfs/dbraw/zinc/46/46/07/523464607.db2.gz	LZPRDUJFWFBOMW-MRXNPFEDSA-N	1	0	364.877	1.936	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1	ZINC000067781727	523579744	/nfs/dbraw/zinc/57/97/44/523579744.db2.gz	HRTWDYZLMQMNOG-OAHLLOKOSA-N	1	0	358.442	1.742	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1	ZINC000054843884	523707461	/nfs/dbraw/zinc/70/74/61/523707461.db2.gz	UCQIUFQJDQMFGA-UHFFFAOYSA-N	1	0	358.442	1.884	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1	ZINC000068233146	523738476	/nfs/dbraw/zinc/73/84/76/523738476.db2.gz	XXRGZRCQGXPGCC-OAHLLOKOSA-N	1	0	360.433	1.873	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1	ZINC000068347815	523763962	/nfs/dbraw/zinc/76/39/62/523763962.db2.gz	WEDVUOQOFMCOQG-UHFFFAOYSA-N	1	0	360.430	1.419	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)CC1	ZINC000068432291	523787317	/nfs/dbraw/zinc/78/73/17/523787317.db2.gz	BOEPGWCBXZZOFS-UHFFFAOYSA-N	1	0	368.359	1.539	20	30		FDEDRO
C[C@H]1C[C@H](NS(=O)(=O)N(C)CCC#N)CC[N@@H+]1Cc1ccccc1	ZINC000080275607	523863162	/nfs/dbraw/zinc/86/31/62/523863162.db2.gz	RKGOFASNONMMIS-DOTOQJQBSA-N	1	0	350.488	1.719	20	30		FDEDRO
C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)C1	ZINC000080656686	523896057	/nfs/dbraw/zinc/89/60/57/523896057.db2.gz	XKFGIEWNSQXDES-QGZVFWFLSA-N	1	0	354.454	1.478	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1ccc(C#N)cc1F	ZINC000136215631	524190832	/nfs/dbraw/zinc/19/08/32/524190832.db2.gz	DBJWYGARHVEUPD-UHFFFAOYSA-N	1	0	369.400	1.621	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C3N=NC(=S)N3C3CC3)C2)CC1	ZINC000111138349	524205358	/nfs/dbraw/zinc/20/53/58/524205358.db2.gz	XAPLKXISHZWTHE-OAHLLOKOSA-N	1	0	373.526	1.953	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccc(CC#N)cc2)CC1	ZINC000157101848	524211263	/nfs/dbraw/zinc/21/12/63/524211263.db2.gz	IBDOFAGLBWMFDG-QGZVFWFLSA-N	1	0	355.442	1.523	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)C#Cc3ccc4c(c3)OCO4)C2)CC1	ZINC000136843593	524217623	/nfs/dbraw/zinc/21/76/23/524217623.db2.gz	PNHJOLMCDAWBKH-KRWDZBQOSA-N	1	0	355.438	1.005	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H](N2CCC[C@H](C[NH+]3CCOCC3)C2)C1=O	ZINC000083171926	524243198	/nfs/dbraw/zinc/24/31/98/524243198.db2.gz	VVEWOJVBKYXHNM-WBVHZDCISA-N	1	0	374.510	1.769	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1cccc(Cl)c1C#N	ZINC000157334240	524254795	/nfs/dbraw/zinc/25/47/95/524254795.db2.gz	XVUXOYQPCOMLFH-GFCCVEGCSA-N	1	0	356.879	1.126	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccc(CNS(=O)(=O)CC)cc2)CC1	ZINC000172908555	524286949	/nfs/dbraw/zinc/28/69/49/524286949.db2.gz	YONQBEOTYRWFPE-UHFFFAOYSA-N	1	0	365.499	1.506	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000141530193	524334081	/nfs/dbraw/zinc/33/40/81/524334081.db2.gz	NOKQCFWNSCLGRL-QGZVFWFLSA-N	1	0	361.467	1.170	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1C#N	ZINC000173278013	524361631	/nfs/dbraw/zinc/36/16/31/524361631.db2.gz	KZNQWWJDYNPQSU-OAHLLOKOSA-N	1	0	370.453	1.422	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1cccn(C)c1=O)C(C)C	ZINC000086447269	524391326	/nfs/dbraw/zinc/39/13/26/524391326.db2.gz	FTZLCRHDBDRXCS-INIZCTEOSA-N	1	0	360.458	1.139	20	30		FDEDRO
CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)c1ccco1	ZINC000086450505	524392207	/nfs/dbraw/zinc/39/22/07/524392207.db2.gz	ROASZBUHDCMQIF-AWEZNQCLSA-N	1	0	372.429	1.528	20	30		FDEDRO
CC(C)[C@@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)N1CC[NH+](C)CC1	ZINC000158058699	524392239	/nfs/dbraw/zinc/39/22/39/524392239.db2.gz	ZERWHCHXRJLWAN-QGZVFWFLSA-N	1	0	368.478	1.248	20	30		FDEDRO
C[C@H]1CCC[C@](CNC(=O)C(=O)Nc2ccn(CCC#N)n2)([NH+](C)C)C1	ZINC000086449810	524393183	/nfs/dbraw/zinc/39/31/83/524393183.db2.gz	XYQKNODUROWUOA-KSSFIOAISA-N	1	0	360.462	1.362	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)CCc3cccs3)CC2)o1	ZINC000173760596	524452879	/nfs/dbraw/zinc/45/28/79/524452879.db2.gz	FAHICDWHQLNCNF-UHFFFAOYSA-N	1	0	373.482	1.739	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000122121663	524454703	/nfs/dbraw/zinc/45/47/03/524454703.db2.gz	KFVQEFJQELPGQE-UHFFFAOYSA-N	1	0	361.833	1.844	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1	ZINC000271675275	674369013	/nfs/dbraw/zinc/36/90/13/674369013.db2.gz	NKIJKWNHVQZCRD-GJZGRUSLSA-N	1	0	365.499	1.834	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)n1nnc(-c2ccccc2)n1	ZINC000173832770	524465014	/nfs/dbraw/zinc/46/50/14/524465014.db2.gz	WGBVANTYFLENSA-OAHLLOKOSA-N	1	0	355.446	1.595	20	30		FDEDRO
Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)Nc1sc3c(c1C#N)CCC3)CC2	ZINC000112549285	524502306	/nfs/dbraw/zinc/50/23/06/524502306.db2.gz	MHLXLGDXVWYBTB-ZYHUDNBSSA-N	1	0	370.482	1.940	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCCN(CC(F)(F)F)C2)c1C#N	ZINC000089661811	524518205	/nfs/dbraw/zinc/51/82/05/524518205.db2.gz	RJXNCLKEKBLSKP-NSHDSACASA-N	1	0	372.395	1.646	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1C#N	ZINC000089677298	524519264	/nfs/dbraw/zinc/51/92/64/524519264.db2.gz	DJKPFMBLKMIEDV-UHFFFAOYSA-N	1	0	358.358	1.359	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(-n3ccnn3)c2)c1C#N	ZINC000089677068	524520199	/nfs/dbraw/zinc/52/01/99/524520199.db2.gz	ZEUUQORLXHQXKI-UHFFFAOYSA-N	1	0	350.386	1.266	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)c1C#N	ZINC000089675648	524520237	/nfs/dbraw/zinc/52/02/37/524520237.db2.gz	STTJRSLODIFAKU-QGZVFWFLSA-N	1	0	353.426	1.992	20	30		FDEDRO
CC(=O)c1cccc(OC[C@H](O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1	ZINC000089942826	524553078	/nfs/dbraw/zinc/55/30/78/524553078.db2.gz	XFHYTLNCQVRARQ-OAHLLOKOSA-N	1	0	371.441	1.370	20	30		FDEDRO
N#Cc1cc(Cl)ccc1S(=O)(=O)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000158949703	524560566	/nfs/dbraw/zinc/56/05/66/524560566.db2.gz	MWNJJLBUXUCOMR-CQSZACIVSA-N	1	0	357.863	1.337	20	30		FDEDRO
C[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1	ZINC000122969513	524654126	/nfs/dbraw/zinc/65/41/26/524654126.db2.gz	JGVKICABKZPBHL-NSHDSACASA-N	1	0	352.822	1.637	20	30		FDEDRO
N#Cc1cc(F)c(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c(F)c1	ZINC000151705918	524661371	/nfs/dbraw/zinc/66/13/71/524661371.db2.gz	MGGHNQUSQUNMDU-UHFFFAOYSA-N	1	0	362.380	1.217	20	30		FDEDRO
CN(C1CC[NH2+]CC1)S(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000123082591	524677467	/nfs/dbraw/zinc/67/74/67/524677467.db2.gz	MSBWNWVOEQXEMV-UHFFFAOYSA-N	1	0	358.261	1.693	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1	ZINC000151869420	524710874	/nfs/dbraw/zinc/71/08/74/524710874.db2.gz	YOJGJJSHIBKCLM-XJKSGUPXSA-N	1	0	370.453	1.282	20	30		FDEDRO
CC[NH+]=C(NCc1cccc2c1OCO2)N1CCN(c2ncccn2)CC1	ZINC000114067176	524741907	/nfs/dbraw/zinc/74/19/07/524741907.db2.gz	GXRVNFHGKUOWDN-UHFFFAOYSA-N	1	0	368.441	1.493	20	30		FDEDRO
CSc1nc(C2CC2)cc(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)c1C#N	ZINC000114385571	524784687	/nfs/dbraw/zinc/78/46/87/524784687.db2.gz	JXVROACTXRNWOI-ZDUSSCGKSA-N	1	0	373.526	1.918	20	30		FDEDRO
CC[NH+]=C(NCc1nnc2n1CCCC2)N1CC[C@@H](C)[C@@H](n2ccnc2)C1	ZINC000160080506	524803292	/nfs/dbraw/zinc/80/32/92/524803292.db2.gz	CZNHHONIQYUEFU-CVEARBPZSA-N	1	0	370.505	1.860	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)CC(C)(C)O	ZINC000114728138	524864085	/nfs/dbraw/zinc/86/40/85/524864085.db2.gz	UFERHOBUSMOXCK-UHFFFAOYSA-N	1	0	350.463	1.654	20	30		FDEDRO
C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc(COc2ccccc2C#N)o1	ZINC000152533377	524916850	/nfs/dbraw/zinc/91/68/50/524916850.db2.gz	QINNFNUCCHRGTM-LJQANCHMSA-N	1	0	357.410	1.773	20	30		FDEDRO
Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](CCC(=O)N(C)CCC#N)C2)n1	ZINC000092802945	524917341	/nfs/dbraw/zinc/91/73/41/524917341.db2.gz	CTTQFPJOOHIXAR-INIZCTEOSA-N	1	0	357.458	1.803	20	30		FDEDRO
COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2CCC(=O)N(C)CCC#N)cc1	ZINC000092802773	524918013	/nfs/dbraw/zinc/91/80/13/524918013.db2.gz	RBVQURFRESXNCZ-QGZVFWFLSA-N	1	0	358.442	1.860	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)c1	ZINC000175269067	524924268	/nfs/dbraw/zinc/92/42/68/524924268.db2.gz	ATZNQMMINLJVRU-UHFFFAOYSA-N	1	0	351.454	1.824	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])c1	ZINC000124390608	524974390	/nfs/dbraw/zinc/97/43/90/524974390.db2.gz	ZANDVYKVDAGAPR-CZUORRHYSA-N	1	0	351.472	1.350	20	30		FDEDRO
C[C@@H](C(=O)NCC#Cc1ccc(C(F)(F)F)cc1)N1CCN(C)CC1	ZINC000175715157	524994385	/nfs/dbraw/zinc/99/43/85/524994385.db2.gz	UHJZQJCXTNKWFT-AWEZNQCLSA-N	1	0	353.388	1.809	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1	ZINC000093821063	525001376	/nfs/dbraw/zinc/00/13/76/525001376.db2.gz	YQNUGGKVYPOMTO-APWZRJJASA-N	1	0	356.470	1.716	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCO1	ZINC000175935124	525029006	/nfs/dbraw/zinc/02/90/06/525029006.db2.gz	BSTYLWGXEGLASR-MRXNPFEDSA-N	1	0	350.463	1.203	20	30		FDEDRO
N#Cc1ccc([C@@H]([NH2+]CC2(N3CCOCC3)CCCCC2)C(N)=O)cc1	ZINC000115595249	525032723	/nfs/dbraw/zinc/03/27/23/525032723.db2.gz	MBJCFCDVLDTXOK-GOSISDBHSA-N	1	0	356.470	1.709	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1C#N	ZINC000161250535	525063905	/nfs/dbraw/zinc/06/39/05/525063905.db2.gz	USBIVVNQEYAUAJ-INIZCTEOSA-N	1	0	358.442	1.740	20	30		FDEDRO
C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000161428892	525106499	/nfs/dbraw/zinc/10/64/99/525106499.db2.gz	SRBPCAWMZKIIPQ-CYBMUJFWSA-N	1	0	365.377	1.168	20	30		FDEDRO
Cc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1-n1cnnn1	ZINC000176548557	525136362	/nfs/dbraw/zinc/13/63/62/525136362.db2.gz	QEDLOUZNTPLDKZ-UHFFFAOYSA-N	1	0	356.434	1.670	20	30		FDEDRO
C#CCN1C(=O)[C@H](CC(=O)NCCC[NH+](C)C)S/C1=N/c1ccccc1	ZINC000125125465	525145812	/nfs/dbraw/zinc/14/58/12/525145812.db2.gz	ARNBVVJTBVDORB-YGCDDZCOSA-N	1	0	372.494	1.709	20	30		FDEDRO
C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000125120170	525146172	/nfs/dbraw/zinc/14/61/72/525146172.db2.gz	KCEHTYCMBRSOHA-SKDRFNHKSA-N	1	0	358.261	1.821	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)N[C@H]1CCOc2ccccc21	ZINC000153289018	525169037	/nfs/dbraw/zinc/16/90/37/525169037.db2.gz	IOWWPYKSBVNCJW-HNNXBMFYSA-N	1	0	368.441	1.368	20	30		FDEDRO
CN(C(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N)C1(C#N)CCCCC1	ZINC000153292755	525170635	/nfs/dbraw/zinc/17/06/35/525170635.db2.gz	VKROYDCSAJCLGS-UHFFFAOYSA-N	1	0	357.462	1.413	20	30		FDEDRO
N#CCCn1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)n1	ZINC000125265134	525177904	/nfs/dbraw/zinc/17/79/04/525177904.db2.gz	CBQYYUQEXILAMP-HNNXBMFYSA-N	1	0	358.446	1.070	20	30		FDEDRO
CS(=O)(=O)N[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000116889075	525243071	/nfs/dbraw/zinc/24/30/71/525243071.db2.gz	RBSCIVODHWYWSC-ZDUSSCGKSA-N	1	0	370.862	1.164	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N2CC[NH+]([C@@H](CC)CO)CC2)cc1	ZINC000177142840	525246746	/nfs/dbraw/zinc/24/67/46/525246746.db2.gz	MZEHJOKEAGVCSA-KRWDZBQOSA-N	1	0	360.458	1.523	20	30		FDEDRO
C[NH+]=C(NCCNS(=O)(=O)c1cccs1)N[C@@H]1CCC[C@@H](C)C1	ZINC000162821494	525322794	/nfs/dbraw/zinc/32/27/94/525322794.db2.gz	LBDPDRATJRBJPH-CHWSQXEVSA-N	1	0	358.533	1.770	20	30		FDEDRO
C=C(C)CNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC	ZINC000126787391	525352354	/nfs/dbraw/zinc/35/23/54/525352354.db2.gz	XCCUWRSMKIEGKG-UHFFFAOYSA-N	1	0	360.458	1.468	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1	ZINC000177999282	525368264	/nfs/dbraw/zinc/36/82/64/525368264.db2.gz	RNEQQQFJQCZKQN-LSDHHAIUSA-N	1	0	361.417	1.765	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2CC[NH2+]CC2)cc1	ZINC000178034307	525373975	/nfs/dbraw/zinc/37/39/75/525373975.db2.gz	GOSRCAZBRNGNKG-SILNSSARSA-N	1	0	364.471	1.438	20	30		FDEDRO
CCCCNC(=O)CON=C(N)c1ccccc1C[NH+]1CCC(O)CC1	ZINC000104054397	525389155	/nfs/dbraw/zinc/38/91/55/525389155.db2.gz	JQMUVPRQOCDTBH-UHFFFAOYSA-N	1	0	362.474	1.197	20	30		FDEDRO
C=CC[C@H](C)[C@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1	ZINC000127167431	525391918	/nfs/dbraw/zinc/39/19/18/525391918.db2.gz	DLBWAPMNNFISIC-IRXDYDNUSA-N	1	0	366.531	1.724	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C	ZINC000118097240	525439603	/nfs/dbraw/zinc/43/96/03/525439603.db2.gz	KPHGMIRTXLMIRT-HNNXBMFYSA-N	1	0	358.442	1.884	20	30		FDEDRO
N#Cc1cccc(OC2CC[NH+](C[C@H](O)COC[C@H]3CCCO3)CC2)c1	ZINC000104963106	525456299	/nfs/dbraw/zinc/45/62/99/525456299.db2.gz	ONHAVVNGELPHTR-FXAWDEMLSA-N	1	0	360.454	1.958	20	30		FDEDRO
CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1)C(=O)NCC[NH+](C)C	ZINC000128005511	525492635	/nfs/dbraw/zinc/49/26/35/525492635.db2.gz	GRIHTXQARMVVHD-YJBOKZPZSA-N	1	0	374.485	1.534	20	30		FDEDRO
CC[C@H](CC#N)NC(=O)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1	ZINC000128362001	525533215	/nfs/dbraw/zinc/53/32/15/525533215.db2.gz	ZKSSNSAAQAAUOI-MRXNPFEDSA-N	1	0	371.485	1.964	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1	ZINC000118895885	525578079	/nfs/dbraw/zinc/57/80/79/525578079.db2.gz	AWTBCRQBZHBEOK-MRXNPFEDSA-N	1	0	357.454	1.875	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccnn2-c2ccccc2C)CC1	ZINC000179426809	525584181	/nfs/dbraw/zinc/58/41/81/525584181.db2.gz	PYTFTJMOZOVQIU-UHFFFAOYSA-N	1	0	367.453	1.886	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1	ZINC000180070378	525659606	/nfs/dbraw/zinc/65/96/06/525659606.db2.gz	QHWAOEJXYJKLTK-HOTGVXAUSA-N	1	0	359.474	1.982	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000106276012	525687080	/nfs/dbraw/zinc/68/70/80/525687080.db2.gz	QMZAWCOMWJAUNO-UHFFFAOYSA-N	1	0	366.487	1.174	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CCO1	ZINC000106349798	525699618	/nfs/dbraw/zinc/69/96/18/525699618.db2.gz	MUJGKOWHODFTLR-QGZVFWFLSA-N	1	0	356.426	1.014	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1	ZINC000106538786	525747933	/nfs/dbraw/zinc/74/79/33/525747933.db2.gz	LZIFTSGUJZFWAU-KRWDZBQOSA-N	1	0	354.454	1.923	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1	ZINC000180858473	525766316	/nfs/dbraw/zinc/76/63/16/525766316.db2.gz	HIRJDAADGZERCD-ZBFHGGJFSA-N	1	0	350.850	1.687	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](C)CN2CCN(c3ccccc3)CC2)CC1	ZINC000119560703	525787850	/nfs/dbraw/zinc/78/78/50/525787850.db2.gz	KLPVFQXYEKCUTP-LJQANCHMSA-N	1	0	368.525	1.659	20	30		FDEDRO
Cc1ccc(NC(=[NH2+])NC[C@@H](O)CS(=O)(=O)c2cccs2)cc1C	ZINC000130780270	525795322	/nfs/dbraw/zinc/79/53/22/525795322.db2.gz	DNZLONIFCPPAGE-CQSZACIVSA-N	1	0	367.496	1.926	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)c1cccc(F)c1	ZINC000171106320	525847535	/nfs/dbraw/zinc/84/75/35/525847535.db2.gz	BGOQIMCAYMLOCN-SFHVURJKSA-N	1	0	368.412	1.846	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1	ZINC000131593295	525876442	/nfs/dbraw/zinc/87/64/42/525876442.db2.gz	SUXURRQKVLXUGI-UHFFFAOYSA-N	1	0	358.442	1.955	20	30		FDEDRO
C=CCNC(=O)CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1	ZINC000181627839	525882164	/nfs/dbraw/zinc/88/21/64/525882164.db2.gz	VRHHNRNUSCENIE-QGZVFWFLSA-N	1	0	369.387	1.859	20	30		FDEDRO
C[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccc(OCC#N)cc1	ZINC000181636223	525883622	/nfs/dbraw/zinc/88/36/22/525883622.db2.gz	XYUMRCBBGXGKNK-CQSZACIVSA-N	1	0	351.472	1.911	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1	ZINC000181683800	525889575	/nfs/dbraw/zinc/88/95/75/525889575.db2.gz	KJZHSORJMCWGDO-PKOBYXMFSA-N	1	0	372.469	1.574	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1	ZINC000119875649	525893461	/nfs/dbraw/zinc/89/34/61/525893461.db2.gz	ZESLTDDWQKABBJ-YVWKXTFCSA-N	1	0	369.465	1.773	20	30		FDEDRO
C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCO[C@H](C#N)C1	ZINC000155583780	525911377	/nfs/dbraw/zinc/91/13/77/525911377.db2.gz	NWWHULZTMIXARF-VQIMIIECSA-N	1	0	356.470	1.380	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000108277606	525944160	/nfs/dbraw/zinc/94/41/60/525944160.db2.gz	RJLYNKSMNGRGKR-AWEZNQCLSA-N	1	0	364.833	1.377	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N	ZINC000181827667	525946299	/nfs/dbraw/zinc/94/62/99/525946299.db2.gz	FMCPNATUYZEUAY-GJZGRUSLSA-N	1	0	358.442	1.907	20	30		FDEDRO
C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NCCCCC#N)cc2)CC1	ZINC000171474366	526009245	/nfs/dbraw/zinc/00/92/45/526009245.db2.gz	MRPUGOPETYUHKT-UHFFFAOYSA-N	1	0	357.458	1.577	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1	ZINC000155924611	526009266	/nfs/dbraw/zinc/00/92/66/526009266.db2.gz	JKFHPNFQPDWDNY-YJBOKZPZSA-N	1	0	352.438	1.972	20	30		FDEDRO
CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1	ZINC000108795156	526027637	/nfs/dbraw/zinc/02/76/37/526027637.db2.gz	AIQQBTCRTMIGQV-CQSZACIVSA-N	1	0	366.487	1.257	20	30		FDEDRO
CNS(=O)(=O)[C@H]1CCN([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000156061318	526043918	/nfs/dbraw/zinc/04/39/18/526043918.db2.gz	SZVDZSRIWFODDS-MFKMUULPSA-N	1	0	370.862	1.162	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2ccccc2NS(C)(=O)=O)CC1	ZINC000108934207	526047171	/nfs/dbraw/zinc/04/71/71/526047171.db2.gz	IOYKSNQLHCDZOX-AWEZNQCLSA-N	1	0	363.483	1.581	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CCN2c3ccccc3O[C@@H](C)C2=O)CC1	ZINC000171721936	526092992	/nfs/dbraw/zinc/09/29/92/526092992.db2.gz	APYZXFUAEGMYMU-HNNXBMFYSA-N	1	0	357.454	1.957	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CCNS(=O)(=O)c2ccc(F)cc2)CC1	ZINC000171726587	526096304	/nfs/dbraw/zinc/09/63/04/526096304.db2.gz	NTRIVABVKPYPAU-UHFFFAOYSA-N	1	0	369.462	1.261	20	30		FDEDRO
CC[C@H]([NH2+]CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@@H]1CCCO1	ZINC000182385572	526153622	/nfs/dbraw/zinc/15/36/22/526153622.db2.gz	NRQIKUYLARZJHS-HOCLYGCPSA-N	1	0	361.446	1.051	20	30		FDEDRO
CC(=O)N1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000120734856	526167975	/nfs/dbraw/zinc/16/79/75/526167975.db2.gz	UBLGSHDNCFHZKE-GOSISDBHSA-N	1	0	357.458	1.252	20	30		FDEDRO
CC(C)[C@H](NCC(=O)Nc1ccc(C#N)cc1)c1nc(-c2nc[nH]n2)no1	ZINC000120796151	526184625	/nfs/dbraw/zinc/18/46/25/526184625.db2.gz	OYVYEDRBJBFGSP-AWEZNQCLSA-N	1	0	366.385	1.652	20	30		FDEDRO
CC[C@H](CO)[NH+]1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000182814863	535867470	/nfs/dbraw/zinc/86/74/70/535867470.db2.gz	ZNWAJVHCLOIFPD-MJGOQNOKSA-N	1	0	356.470	1.442	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(Cl)c1	ZINC000183682314	536029538	/nfs/dbraw/zinc/02/95/38/536029538.db2.gz	DDPMUTWOWMJACS-CYBMUJFWSA-N	1	0	357.863	1.337	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](N3CCOCC4(CCOCC4)C3)C2=O)cc1	ZINC000184125748	536100579	/nfs/dbraw/zinc/10/05/79/536100579.db2.gz	DVKREIDJHVTAOH-SFHVURJKSA-N	1	0	355.438	1.793	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1	ZINC000184639578	536171907	/nfs/dbraw/zinc/17/19/07/536171907.db2.gz	QVLFWNLBNBQMPX-AWEZNQCLSA-N	1	0	353.430	1.992	20	30		FDEDRO
C[C@@H]1CCCN1S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000184902005	536190484	/nfs/dbraw/zinc/19/04/84/536190484.db2.gz	LGVJERYKLAUKFE-OAHLLOKOSA-N	1	0	350.488	1.651	20	30		FDEDRO
N#C[C@@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000185828057	536218724	/nfs/dbraw/zinc/21/87/24/536218724.db2.gz	HGDHOYWFSBYNJG-OLZOCXBDSA-N	1	0	352.416	1.545	20	30		FDEDRO
C[NH+]=C(NC[C@](C)(O)c1ccco1)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1	ZINC000262799313	536903818	/nfs/dbraw/zinc/90/38/18/536903818.db2.gz	QLHDHCRZUYJEAZ-LBTNJELSSA-N	1	0	350.463	1.299	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1	ZINC000188611011	536911556	/nfs/dbraw/zinc/91/15/56/536911556.db2.gz	XPVIISCVMIPWQZ-CYBMUJFWSA-N	1	0	374.485	1.100	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCc2cccc(C#N)c2)CC1=O	ZINC000246345419	536932317	/nfs/dbraw/zinc/93/23/17/536932317.db2.gz	CMHKQSYBECWTTG-ZWKOTPCHSA-N	1	0	354.454	1.507	20	30		FDEDRO
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1	ZINC000246483134	536963047	/nfs/dbraw/zinc/96/30/47/536963047.db2.gz	OVLIKQIAFHBAGK-DNVCBOLYSA-N	1	0	357.454	1.957	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1	ZINC000188903644	536968054	/nfs/dbraw/zinc/96/80/54/536968054.db2.gz	AJCUPBQLGVEAQI-HNNXBMFYSA-N	1	0	358.442	1.696	20	30		FDEDRO
Cc1ccc(NC(=[NH2+])NCCS(=O)(=O)NC[C@@H]2CCCCO2)cc1C	ZINC000267407392	536976826	/nfs/dbraw/zinc/97/68/26/536976826.db2.gz	HMCPKKKOESYJDF-INIZCTEOSA-N	1	0	368.503	1.519	20	30		FDEDRO
C[NH+]=C(NCC(=O)N(C)CCc1ccccn1)N1CCc2ccccc21	ZINC000263267811	537005513	/nfs/dbraw/zinc/00/55/13/537005513.db2.gz	VVGYAELLLAVHAT-UHFFFAOYSA-N	1	0	351.454	1.721	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)CCSC1	ZINC000268026308	537007168	/nfs/dbraw/zinc/00/71/68/537007168.db2.gz	CNVHUMBWRDNUHC-INIZCTEOSA-N	1	0	366.874	1.704	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN([C@H]3CCN(c4sccc4C#N)C3=O)C2)CC1	ZINC000246746479	537017179	/nfs/dbraw/zinc/01/71/79/537017179.db2.gz	XDLADULGNXUPOI-IRXDYDNUSA-N	1	0	373.526	1.437	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1	ZINC000269346470	537020310	/nfs/dbraw/zinc/02/03/10/537020310.db2.gz	QTTOIKPCONVEJF-LJQANCHMSA-N	1	0	371.441	1.049	20	30		FDEDRO
Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2ccc(C#N)cc2)o1	ZINC000189371840	537034535	/nfs/dbraw/zinc/03/45/35/537034535.db2.gz	FXALRFWPWZQPKR-UHFFFAOYSA-N	1	0	354.410	1.989	20	30		FDEDRO
CC[N@H+](CCNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)C1CC1	ZINC000246825807	537034841	/nfs/dbraw/zinc/03/48/41/537034841.db2.gz	XAFUQQRUSWMVQN-IBGZPJMESA-N	1	0	355.486	1.890	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CC(=O)Nc1cc(Cl)ccc1C#N	ZINC000189407407	537041044	/nfs/dbraw/zinc/04/10/44/537041044.db2.gz	KACJPBAMRLCNLH-CYBMUJFWSA-N	1	0	364.877	1.927	20	30		FDEDRO
Cc1sc(NC(=O)CN2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c(C#N)c1C	ZINC000189549925	537064197	/nfs/dbraw/zinc/06/41/97/537064197.db2.gz	RTCCQHMULZTOKI-NWDGAFQWSA-N	1	0	350.488	1.562	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3c(F)cc(C#N)cc3F)CC[C@H]21	ZINC000247146484	537087555	/nfs/dbraw/zinc/08/75/55/537087555.db2.gz	SPIVCCKPDHXASZ-SWLSCSKDSA-N	1	0	355.410	1.941	20	30		FDEDRO
C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000247383651	537115218	/nfs/dbraw/zinc/11/52/18/537115218.db2.gz	PYPUJTYGVQUGBV-HZPDHXFCSA-N	1	0	371.489	1.443	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1cnn2c1[nH]c(=O)c1ccccc12	ZINC000264301209	537140829	/nfs/dbraw/zinc/14/08/29/537140829.db2.gz	YYTHDSBTDMYDSJ-UHFFFAOYSA-N	1	0	366.425	1.483	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cccc(OCC#N)c2)CC1=O	ZINC000264385475	537143159	/nfs/dbraw/zinc/14/31/59/537143159.db2.gz	HATGHRGZKSKPGO-DOTOQJQBSA-N	1	0	370.453	1.860	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(OCC(N)=O)cc1)C(C)C	ZINC000264880885	537149006	/nfs/dbraw/zinc/14/90/06/537149006.db2.gz	IDGDYHJFUTXEPL-GOSISDBHSA-N	1	0	359.470	1.979	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCN(C(N)=O)CC2)c(OC)c1	ZINC000264923273	537150198	/nfs/dbraw/zinc/15/01/98/537150198.db2.gz	KWHAXMAMOUCIKS-INIZCTEOSA-N	1	0	363.458	1.250	20	30		FDEDRO
C[NH+]=C(NCCCn1c(C)nc2ccccc21)NCCN1CCOCC1	ZINC000264966743	537150533	/nfs/dbraw/zinc/15/05/33/537150533.db2.gz	CJEHBSWRBLXECP-UHFFFAOYSA-N	1	0	358.490	1.232	20	30		FDEDRO
CC(C)OCCOC[C@@H](O)C[N@H+](C)CCC(=O)Nc1ccccc1C#N	ZINC000265531665	537153787	/nfs/dbraw/zinc/15/37/87/537153787.db2.gz	VKJVNEWBAAAYEP-KRWDZBQOSA-N	1	0	363.458	1.621	20	30		FDEDRO
C=CCOc1ccc(C[NH2+]CC2CN(S(=O)(=O)CC)C2)cc1OC	ZINC000190292270	537161890	/nfs/dbraw/zinc/16/18/90/537161890.db2.gz	FENMHOCVDNYFLN-UHFFFAOYSA-N	1	0	354.472	1.631	20	30		FDEDRO
C#CCN(CC#C)C(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1	ZINC000190417491	537172445	/nfs/dbraw/zinc/17/24/45/537172445.db2.gz	LYQASFYFYPIPEJ-QGZVFWFLSA-N	1	0	351.450	1.952	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21	ZINC000190958213	537192120	/nfs/dbraw/zinc/19/21/20/537192120.db2.gz	YSXZCXCTBNOYDJ-WBVHZDCISA-N	1	0	355.438	1.580	20	30		FDEDRO
C=CCn1c(=O)c2ccc(C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)cc2[n-]c1=S	ZINC000248639260	537199420	/nfs/dbraw/zinc/19/94/20/537199420.db2.gz	QZLHBLDTLUZCSY-AEGPPILISA-N	1	0	370.478	1.681	20	30		FDEDRO
Cn1cc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)cc1C#N	ZINC000191616348	537208819	/nfs/dbraw/zinc/20/88/19/537208819.db2.gz	LFTAMMLDFUFUDS-UHFFFAOYSA-N	1	0	362.430	1.866	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(C)(C)O)CCN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000248763762	537211548	/nfs/dbraw/zinc/21/15/48/537211548.db2.gz	RIAGRABMCKFUGZ-APWZRJJASA-N	1	0	370.497	1.831	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)ccn1	ZINC000248831307	537214657	/nfs/dbraw/zinc/21/46/57/537214657.db2.gz	FGVGKIXEJSFXJF-MJGOQNOKSA-N	1	0	350.422	1.566	20	30		FDEDRO
C[C@H](CO)[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@H](C)O	ZINC000248933160	537221577	/nfs/dbraw/zinc/22/15/77/537221577.db2.gz	MUGPEEFMYCOOKR-KGLIPLIRSA-N	1	0	372.387	1.237	20	30		FDEDRO
N#CCCCS(=O)(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000192238239	537222044	/nfs/dbraw/zinc/22/20/44/537222044.db2.gz	KFUMCIJPMZIYQK-KRWDZBQOSA-N	1	0	351.472	1.501	20	30		FDEDRO
N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1	ZINC000192614388	537227468	/nfs/dbraw/zinc/22/74/68/537227468.db2.gz	OEVLYEGNXAEXKV-SJORKVTESA-N	1	0	363.483	1.879	20	30		FDEDRO
C=C(C)C[N@@H+](CC)[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000249310807	537233367	/nfs/dbraw/zinc/23/33/67/537233367.db2.gz	IADZZOQMNAABCB-ZIAGYGMSSA-N	1	0	353.488	1.798	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)CN2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c1C	ZINC000192824051	537233928	/nfs/dbraw/zinc/23/39/28/537233928.db2.gz	ASNSCLAWHBONIA-ZWKOTPCHSA-N	1	0	372.513	1.937	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000193788809	537255594	/nfs/dbraw/zinc/25/55/94/537255594.db2.gz	QAVPIYAFTLGXME-UHFFFAOYSA-N	1	0	370.497	1.963	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2cccc(N3CCOCC3)c2)CC1	ZINC000293007558	537286133	/nfs/dbraw/zinc/28/61/33/537286133.db2.gz	JOVIMNRLOOWWFH-UHFFFAOYSA-N	1	0	358.486	1.973	20	30		FDEDRO
CC[N@H+](CCNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)C1CC1	ZINC000363704362	537290486	/nfs/dbraw/zinc/29/04/86/537290486.db2.gz	GTPDMFQLWPKAHV-UHFFFAOYSA-N	1	0	356.405	2.489	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNC(=O)C(=O)Nc2cccc(OCC#N)c2)CCCO1	ZINC000278352334	537307995	/nfs/dbraw/zinc/30/79/95/537307995.db2.gz	KXYPRQPMKNWXEB-HNNXBMFYSA-N	1	0	374.441	1.145	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1	ZINC000282309999	537310098	/nfs/dbraw/zinc/31/00/98/537310098.db2.gz	NGQCNDBJBWBDGN-QAPCUYQASA-N	1	0	364.515	1.965	20	30		FDEDRO
C=CCNC(=O)c1ccc(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)nc1	ZINC000363777254	537310122	/nfs/dbraw/zinc/31/01/22/537310122.db2.gz	ODDPTNKNDRSMAD-UHFFFAOYSA-N	1	0	371.529	1.851	20	30		FDEDRO
C=CCn1c(N2CCCN(CC(=O)N3CCCC3)CC2)nnc1C(C)(C)C	ZINC000290368902	537336555	/nfs/dbraw/zinc/33/65/55/537336555.db2.gz	LXHGTXGMGAGBQJ-UHFFFAOYSA-N	1	0	374.533	1.896	20	30		FDEDRO
N#Cc1ccc(C[C@H](C#N)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1	ZINC000282875827	537340978	/nfs/dbraw/zinc/34/09/78/537340978.db2.gz	WJTOCIZNLLRVGA-WOJBJXKFSA-N	1	0	366.465	1.811	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1	ZINC000333058439	537346175	/nfs/dbraw/zinc/34/61/75/537346175.db2.gz	CWCHTRSWWXIHFW-XDNAFOTISA-N	1	0	351.491	1.787	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000333198405	537347054	/nfs/dbraw/zinc/34/70/54/537347054.db2.gz	QFBFNXVUFQEKIZ-AHCXZYCDSA-N	1	0	351.491	1.861	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000333198407	537347438	/nfs/dbraw/zinc/34/74/38/537347438.db2.gz	QFBFNXVUFQEKIZ-ATLSCFEFSA-N	1	0	351.491	1.861	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(CC2([NH+]3CCC(OC)CC3)CCCC2)C1=O	ZINC000348440163	537385285	/nfs/dbraw/zinc/38/52/85/537385285.db2.gz	LTNUKXMCXOAKPT-MRXNPFEDSA-N	1	0	365.474	1.533	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(C2CC[NH+](Cc3ccc(F)cc3)CC2)C1=O	ZINC000348498267	537388855	/nfs/dbraw/zinc/38/88/55/537388855.db2.gz	KPFFUDKZHDCAOV-QGZVFWFLSA-N	1	0	361.417	1.913	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)N(C)c2ccccc2)CC1	ZINC000283903926	537391681	/nfs/dbraw/zinc/39/16/81/537391681.db2.gz	DGGDKXYKUSHDHC-KRWDZBQOSA-N	1	0	372.513	1.784	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCC(OC)CC1)C(C)C	ZINC000283958035	537396107	/nfs/dbraw/zinc/39/61/07/537396107.db2.gz	HYVKVTZPIFLACN-KRWDZBQOSA-N	1	0	351.491	1.439	20	30		FDEDRO
C[C@@H]1[C@@H](C)C[N@@H+]1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000293302248	537412443	/nfs/dbraw/zinc/41/24/43/537412443.db2.gz	DWIFBYFVIIMDOA-UONOGXRCSA-N	1	0	369.425	1.795	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@H](CCO)c2ccccc2)CC1	ZINC000271695352	537476752	/nfs/dbraw/zinc/47/67/52/537476752.db2.gz	RQCGMXVRXYARIY-RTBURBONSA-N	1	0	358.486	1.392	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1	ZINC000288385730	537494813	/nfs/dbraw/zinc/49/48/13/537494813.db2.gz	GNBVSEMYAJIGJK-UHFFFAOYSA-N	1	0	373.497	1.818	20	30		FDEDRO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](CCO)CCCO)sc2C1	ZINC000299246042	537505884	/nfs/dbraw/zinc/50/58/84/537505884.db2.gz	KJXYBRZBMMESNW-CYBMUJFWSA-N	1	0	365.499	1.750	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1	ZINC000293548448	537509964	/nfs/dbraw/zinc/50/99/64/537509964.db2.gz	YORPTZPZVJBRJY-IBGZPJMESA-N	1	0	369.513	1.866	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@H+](C)CC2(O)CCOCC2)c(OC)c1	ZINC000275547383	537558104	/nfs/dbraw/zinc/55/81/04/537558104.db2.gz	MJEMABDXGSSPRZ-KRWDZBQOSA-N	1	0	365.470	1.637	20	30		FDEDRO
C=CCc1cc(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc(OC)c1O	ZINC000360017939	537575675	/nfs/dbraw/zinc/57/56/75/537575675.db2.gz	FLQOMYWNYXNKDF-FOIQADDNSA-N	1	0	373.453	1.939	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)NCCCC[NH+]1CCC(C(N)=O)CC1	ZINC000299461957	537586071	/nfs/dbraw/zinc/58/60/71/537586071.db2.gz	ZPUBBAOSJAPKOO-UHFFFAOYSA-N	1	0	373.457	1.666	20	30		FDEDRO
C=CCn1c([C@H](C)CC)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000289833530	537594447	/nfs/dbraw/zinc/59/44/47/537594447.db2.gz	WYPVHSQWSJSHRF-CVEARBPZSA-N	1	0	360.506	1.720	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)cc1	ZINC000236669292	537595215	/nfs/dbraw/zinc/59/52/15/537595215.db2.gz	GCBVEMDJAXQGNP-UHFFFAOYSA-N	1	0	354.414	1.371	20	30		FDEDRO
CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CCC[NH3+])c1	ZINC000237071346	537608829	/nfs/dbraw/zinc/60/88/29/537608829.db2.gz	WWWZZEWDBRABHN-CAPFRKAQSA-N	1	0	366.487	1.957	20	30		FDEDRO
CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CC[NH3+])c1	ZINC000237071384	537609557	/nfs/dbraw/zinc/60/95/57/537609557.db2.gz	BLRLUUYKPVZZDY-XDJHFCHBSA-N	1	0	352.460	1.567	20	30		FDEDRO
C=CCN(CCC#N)C(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1	ZINC000293912688	537622532	/nfs/dbraw/zinc/62/25/32/537622532.db2.gz	RYIRVRHTNKOMLN-UHFFFAOYSA-N	1	0	350.463	1.857	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2noc(C)n2)CC1	ZINC000329920868	537645585	/nfs/dbraw/zinc/64/55/85/537645585.db2.gz	SKEKDIDLFPYCHZ-ZFWWWQNUSA-N	1	0	368.457	1.278	20	30		FDEDRO
Cc1nc2n(n1)C[C@H](NC(=O)c1c(C)nn(C)c1-n1ccnc1C)CC2	ZINC000330008565	537649356	/nfs/dbraw/zinc/64/93/56/537649356.db2.gz	FNYKJOVIYDNJCZ-CYBMUJFWSA-N	1	0	354.418	1.442	20	30		FDEDRO
C[N@H+](CCNC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)C1CC1	ZINC000285178449	537649664	/nfs/dbraw/zinc/64/96/64/537649664.db2.gz	VILMPLSBTIPMAK-UHFFFAOYSA-N	1	0	370.453	1.138	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2CCN(c3cc(C4CC4)[nH]n3)CC2)CC1	ZINC000330223111	537651802	/nfs/dbraw/zinc/65/18/02/537651802.db2.gz	MWSMIEGXFTZMNP-UHFFFAOYSA-N	1	0	360.506	1.850	20	30		FDEDRO
CC(C)N1C[C@@H](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1=O	ZINC000330225223	537652467	/nfs/dbraw/zinc/65/24/67/537652467.db2.gz	BABXFSBVFCYQBN-HNNXBMFYSA-N	1	0	368.547	1.861	20	30		FDEDRO
Cc1nnsc1CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000330232437	537653101	/nfs/dbraw/zinc/65/31/01/537653101.db2.gz	XJDWQHLITBJCRB-ZIAGYGMSSA-N	1	0	353.492	1.618	20	30		FDEDRO
CC(C)(CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)N1CCS(=O)CC1	ZINC000330348472	537653794	/nfs/dbraw/zinc/65/37/94/537653794.db2.gz	ITIRGQJYKYAJNY-MRXNPFEDSA-N	1	0	371.547	1.429	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC(N(C)S(C)(=O)=O)CC2)C1	ZINC000330930549	537661585	/nfs/dbraw/zinc/66/15/85/537661585.db2.gz	PQXHLYZNBGRIEY-OAHLLOKOSA-N	1	0	374.551	1.234	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1	ZINC000290065484	537662368	/nfs/dbraw/zinc/66/23/68/537662368.db2.gz	NLTAIWXZMBKELI-FQEVSTJZSA-N	1	0	361.486	1.603	20	30		FDEDRO
CS(=O)(=O)CC1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000292086640	537707715	/nfs/dbraw/zinc/70/77/15/537707715.db2.gz	GHZAEVUFSMIDHJ-MRXNPFEDSA-N	1	0	352.456	1.055	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1	ZINC000285473734	537717890	/nfs/dbraw/zinc/71/78/90/537717890.db2.gz	KWMCCQRSQIBPHF-FQEVSTJZSA-N	1	0	361.486	1.651	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1	ZINC000298281406	537719013	/nfs/dbraw/zinc/71/90/13/537719013.db2.gz	XEGGCRHVLCKGLO-UHFFFAOYSA-N	1	0	360.414	1.998	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c1	ZINC000292306946	537727002	/nfs/dbraw/zinc/72/70/02/537727002.db2.gz	SFSRYBNAAGAQDM-SFHVURJKSA-N	1	0	363.483	1.319	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NCCC[C@H]2CCC[NH2+]2)C[C@@]12C(=O)Nc1ccccc12	ZINC000418761433	537763711	/nfs/dbraw/zinc/76/37/11/537763711.db2.gz	FZGHUFXNKMGKSL-STXHMFSFSA-N	1	0	367.453	1.574	20	30		FDEDRO
C[NH+]1CCN(C[C@H](O)COc2ccc(Br)cc2C#N)CC1	ZINC000414139660	537766328	/nfs/dbraw/zinc/76/63/28/537766328.db2.gz	LBAZCQILPWVGOD-AWEZNQCLSA-N	1	0	354.248	1.308	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CCCC[C@H]1COC(=O)N1CCOCC1	ZINC000375800765	537772859	/nfs/dbraw/zinc/77/28/59/537772859.db2.gz	DNUWRZUIWGNNBK-INIZCTEOSA-N	1	0	366.462	1.072	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1	ZINC000416305072	537797459	/nfs/dbraw/zinc/79/74/59/537797459.db2.gz	AGHODGJMOWWYFT-ZDUSSCGKSA-N	1	0	360.845	1.775	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)ccc1F	ZINC000375940439	537809057	/nfs/dbraw/zinc/80/90/57/537809057.db2.gz	GHNQEIADVVGMDC-IUODEOHRSA-N	1	0	367.446	1.114	20	30		FDEDRO
C[C@@]1(NS(=O)(=O)c2cccnc2C#N)CC[N@H+](Cc2ccccc2)C1	ZINC000405950229	537811006	/nfs/dbraw/zinc/81/10/06/537811006.db2.gz	FPYIOBUCVVRFKX-GOSISDBHSA-N	1	0	356.451	1.896	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)o1	ZINC000414463798	537817021	/nfs/dbraw/zinc/81/70/21/537817021.db2.gz	OLHKHMOJAVSVPS-HNNXBMFYSA-N	1	0	353.444	1.417	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)NCCSCc2ccccc2C#N)CC[C@@H]1[NH3+]	ZINC000418909977	537836799	/nfs/dbraw/zinc/83/67/99/537836799.db2.gz	AUJBPLHPRPQNMB-CJNGLKHVSA-N	1	0	360.483	1.103	20	30		FDEDRO
C[NH+](C)CCn1nccc1NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000560438866	545502064	/nfs/dbraw/zinc/50/20/64/545502064.db2.gz	OLIKVGHEYBNJJZ-HNNXBMFYSA-N	1	0	369.429	1.397	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1	ZINC000418919024	537848539	/nfs/dbraw/zinc/84/85/39/537848539.db2.gz	JRGHRFUMIFWYOP-CJNGLKHVSA-N	1	0	360.483	1.151	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000409517285	537858174	/nfs/dbraw/zinc/85/81/74/537858174.db2.gz	ZHOHQROXDIJLSX-AEFFLSMTSA-N	1	0	364.515	1.967	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)CC1	ZINC000410195833	537880823	/nfs/dbraw/zinc/88/08/23/537880823.db2.gz	NAYODHSIZHIBTI-HOCLYGCPSA-N	1	0	372.535	1.044	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H]1CCCCNC1=O	ZINC000366950598	537896029	/nfs/dbraw/zinc/89/60/29/537896029.db2.gz	GTFFECWUTRPAGQ-SFHVURJKSA-N	1	0	356.470	1.755	20	30		FDEDRO
C[C@H](C[NH3+])CNC(=O)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	ZINC000419036216	537903631	/nfs/dbraw/zinc/90/36/31/537903631.db2.gz	PSKJHIMSDUINKR-IUDNXUCKSA-N	1	0	358.442	1.075	20	30		FDEDRO
N#Cc1ccccc1OC1CCC(NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC1	ZINC000419041898	537906305	/nfs/dbraw/zinc/90/63/05/537906305.db2.gz	ZZFQEMFWNIWDLZ-ODIFPOPNSA-N	1	0	370.453	1.172	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+]	ZINC000419058889	537915798	/nfs/dbraw/zinc/91/57/98/537915798.db2.gz	QRBBFMYENCIKGR-FGTMMUONSA-N	1	0	359.470	1.255	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1	ZINC000414888017	537932676	/nfs/dbraw/zinc/93/26/76/537932676.db2.gz	DTKMIAZFRQTZOV-CZUORRHYSA-N	1	0	366.487	1.694	20	30		FDEDRO
CN(CC(=O)Nc1cccc(C#N)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000367116721	537941375	/nfs/dbraw/zinc/94/13/75/537941375.db2.gz	GWGGZNVCVMPFJE-IBGZPJMESA-N	1	0	355.486	1.597	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCC(c3ccccn3)CC2)CC1	ZINC000367619083	537966061	/nfs/dbraw/zinc/96/60/61/537966061.db2.gz	SCVZDNGWPCOHAP-FQEVSTJZSA-N	1	0	369.513	1.953	20	30		FDEDRO
C[C@H](CO)[N@@H+]1CCCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1	ZINC000368970866	537994834	/nfs/dbraw/zinc/99/48/34/537994834.db2.gz	ACENGPTWMOHWRO-QZTJIDSGSA-N	1	0	358.486	1.710	20	30		FDEDRO
C[C@H](CO)[N@@H+]1CCCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1	ZINC000368974211	537996112	/nfs/dbraw/zinc/99/61/12/537996112.db2.gz	NYNOWJDWHGLMLG-NNVNDSJASA-N	1	0	364.534	1.694	20	30		FDEDRO
C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CCN(C2CC2)[C@H](C#N)C1	ZINC000369218070	538005408	/nfs/dbraw/zinc/00/54/08/538005408.db2.gz	FLSRDPXOQSSJGB-IEBWSBKVSA-N	1	0	355.486	1.541	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC000369235278	538007274	/nfs/dbraw/zinc/00/72/74/538007274.db2.gz	IFUBXDAGZGCIJF-OALUTQOASA-N	1	0	373.501	1.404	20	30		FDEDRO
CCc1nc(CN2CCC[C@H]([N@H+](C)CC(=O)N[C@](C)(C#N)C3CC3)C2)no1	ZINC000369234991	538007629	/nfs/dbraw/zinc/00/76/29/538007629.db2.gz	GPARRMLWNIESAR-HNAYVOBHSA-N	1	0	374.489	1.337	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC[C@H]1[NH3+]	ZINC000415431379	538045582	/nfs/dbraw/zinc/04/55/82/538045582.db2.gz	GIRJHLHLFFDMKV-NOZJJQNGSA-N	1	0	365.231	1.455	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC[C@@H]1[NH3+]	ZINC000415431388	538045906	/nfs/dbraw/zinc/04/59/06/538045906.db2.gz	GIRJHLHLFFDMKV-RNCFNFMXSA-N	1	0	365.231	1.455	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])ccc1Br	ZINC000415490003	538070674	/nfs/dbraw/zinc/07/06/74/538070674.db2.gz	VEAOACLAASGVKA-LLVKDONJSA-N	1	0	351.204	1.209	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1	ZINC000378308214	538084588	/nfs/dbraw/zinc/08/45/88/538084588.db2.gz	FTTQHZOGSDTIFX-GOSISDBHSA-N	1	0	360.458	1.609	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1	ZINC000373061453	538089656	/nfs/dbraw/zinc/08/96/56/538089656.db2.gz	ZETBCINJMKGVES-SMDDNHRTSA-N	1	0	370.272	1.693	20	30		FDEDRO
N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCCCC[NH3+])CC1	ZINC000418508599	538095147	/nfs/dbraw/zinc/09/51/47/538095147.db2.gz	LJRUOVAGJUOZCH-UHFFFAOYSA-N	1	0	358.402	1.377	20	30		FDEDRO
CCc1nc(C)c(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)s1	ZINC000438752194	538131817	/nfs/dbraw/zinc/13/18/17/538131817.db2.gz	FDMVNRYKUPJEFP-UHFFFAOYSA-N	1	0	351.476	1.646	20	30		FDEDRO
C=CCC[C@H]1NC(=O)N(CCN2CC[NH+](Cc3ccccc3)CC2)C1=O	ZINC000419930804	538152451	/nfs/dbraw/zinc/15/24/51/538152451.db2.gz	YZAUDCZJOSDGFX-GOSISDBHSA-N	1	0	356.470	1.691	20	30		FDEDRO
COc1cc(CNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)ccc1C#N	ZINC000427152309	538175263	/nfs/dbraw/zinc/17/52/63/538175263.db2.gz	IKZNFMYOLKDIAV-UHFFFAOYSA-N	1	0	365.437	1.644	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)NCC(=O)NCC[NH+]1CCCCCC1	ZINC000432770173	538175755	/nfs/dbraw/zinc/17/57/55/538175755.db2.gz	RNFXYDKJSNBDND-UHFFFAOYSA-N	1	0	373.457	1.681	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+]	ZINC000420013740	538187534	/nfs/dbraw/zinc/18/75/34/538187534.db2.gz	JJOPGKIORBOINL-ROUUACIJSA-N	1	0	354.454	1.707	20	30		FDEDRO
C[C@]1(CNC(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CCC[NH2+]C1	ZINC000420111852	538224704	/nfs/dbraw/zinc/22/47/04/538224704.db2.gz	XBBLYRXTBPYBLJ-NRFANRHFSA-N	1	0	366.465	1.680	20	30		FDEDRO
Cc1nc2n(n1)C[C@@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)CC2	ZINC000433333822	538226200	/nfs/dbraw/zinc/22/62/00/538226200.db2.gz	IKFQKQNOYKTDSW-KRWDZBQOSA-N	1	0	362.441	1.863	20	30		FDEDRO
C=CCn1c([C@H]2COCCO2)nnc1N1CC[NH+](C(C)(C)COC)CC1	ZINC000424120284	538240250	/nfs/dbraw/zinc/24/02/50/538240250.db2.gz	DRWHPIZMFYGTIW-OAHLLOKOSA-N	1	0	365.478	1.099	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NC[C@@H](O)COc1ccccc1Br	ZINC000424123431	538241450	/nfs/dbraw/zinc/24/14/50/538241450.db2.gz	KKWKIGLPJIIKMH-YPMHNXCESA-N	1	0	370.247	1.326	20	30		FDEDRO
C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C(=O)Nc1cccc(N2CCCC2)c1	ZINC000424156766	538247284	/nfs/dbraw/zinc/24/72/84/538247284.db2.gz	OTOYERLOJDPSCB-YOEHRIQHSA-N	1	0	357.458	1.751	20	30		FDEDRO
C[C@@H]1CSC[C@@H]1[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000560495646	545524435	/nfs/dbraw/zinc/52/44/35/545524435.db2.gz	HWYBEYZLZUONRK-QLFBSQMISA-N	1	0	364.540	1.798	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCC[C@@H]2CC[NH2+]C2)cc1Br	ZINC000420417103	538289673	/nfs/dbraw/zinc/28/96/73/538289673.db2.gz	KLFHSSGWDNLHAQ-JTQLQIEISA-N	1	0	358.261	1.599	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC	ZINC000422515960	538291813	/nfs/dbraw/zinc/29/18/13/538291813.db2.gz	IXQZFSARSGDQBY-RTBURBONSA-N	1	0	373.497	1.674	20	30		FDEDRO
CC1(NS(=O)(=O)c2cccc(Br)c2C#N)CC[NH2+]CC1	ZINC000420454738	538297023	/nfs/dbraw/zinc/29/70/23/538297023.db2.gz	WTGMVPVOBUTHFO-UHFFFAOYSA-N	1	0	358.261	1.741	20	30		FDEDRO
N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1	ZINC000446805979	538321500	/nfs/dbraw/zinc/32/15/00/538321500.db2.gz	JNHMGDNCGZXNNP-KGLIPLIRSA-N	1	0	369.512	1.941	20	30		FDEDRO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@]1(O)C[NH+]2CCC1CC2	ZINC000560506189	545527758	/nfs/dbraw/zinc/52/77/58/545527758.db2.gz	NFLAWTZUHAFNBP-QUCCMNQESA-N	1	0	357.454	1.535	20	30		FDEDRO
CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N=c1ccn(CCC#N)[nH]1	ZINC000441422578	538326166	/nfs/dbraw/zinc/32/61/66/538326166.db2.gz	QAOWDFBBBUTZLS-CVEARBPZSA-N	1	0	374.489	1.752	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)nn1	ZINC000424632267	538334418	/nfs/dbraw/zinc/33/44/18/538334418.db2.gz	UAPPBTQCZDMKFH-IAGOWNOFSA-N	1	0	360.506	1.485	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)N1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1	ZINC000452051173	538356029	/nfs/dbraw/zinc/35/60/29/538356029.db2.gz	LDBODCQOPGYHSL-JKSUJKDBSA-N	1	0	359.474	1.156	20	30		FDEDRO
N#C[C@H]1CC[C@H]([NH2+]Cc2ccccc2CS(=O)(=O)N2CCOCC2)C1	ZINC000442714562	538370267	/nfs/dbraw/zinc/37/02/67/538370267.db2.gz	KBGCCZQLYAGMCE-YJBOKZPZSA-N	1	0	363.483	1.630	20	30		FDEDRO
CC(C)C[C@H](NC(=O)NCC1CCC(C#N)CC1)C(=O)NCC[NH+](C)C	ZINC000442729976	538372199	/nfs/dbraw/zinc/37/21/99/538372199.db2.gz	PNUMCIGKNDVOIZ-JCYILVPMSA-N	1	0	365.522	1.708	20	30		FDEDRO
C[N@H+](CC(=O)NCc1cccc(C#N)c1)CC(C)(C)CN1CCOCC1	ZINC000443643740	538399796	/nfs/dbraw/zinc/39/97/96/538399796.db2.gz	WHKGRXQIDYDPHG-UHFFFAOYSA-N	1	0	358.486	1.465	20	30		FDEDRO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000425873826	538414830	/nfs/dbraw/zinc/41/48/30/538414830.db2.gz	QIYLVSGMOXNYCH-HOCLYGCPSA-N	1	0	354.454	1.678	20	30		FDEDRO
CC[NH+](CC)CCN(CCOC)C(=O)C(=O)Nc1ccc(C#N)c(C)n1	ZINC000453647491	538416194	/nfs/dbraw/zinc/41/61/94/538416194.db2.gz	WGJCBHUCLXRYCT-UHFFFAOYSA-N	1	0	361.446	1.017	20	30		FDEDRO
N#Cc1ccc(CNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)cc1F	ZINC000456833736	538457014	/nfs/dbraw/zinc/45/70/14/538457014.db2.gz	IJQKGCINXHUOTO-UHFFFAOYSA-N	1	0	367.428	1.921	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2CCO)ccc1Cl	ZINC000453824559	538459491	/nfs/dbraw/zinc/45/94/91/538459491.db2.gz	UFJOJLVTVUPZJB-CQSZACIVSA-N	1	0	364.833	1.113	20	30		FDEDRO
C=CCC[C@H](CO)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1	ZINC000454063944	538502212	/nfs/dbraw/zinc/50/22/12/538502212.db2.gz	XMTFBMUFAFFZFE-GOSISDBHSA-N	1	0	359.470	1.707	20	30		FDEDRO
Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)ncc1C#N	ZINC000457673674	538506725	/nfs/dbraw/zinc/50/67/25/538506725.db2.gz	CTXRBGRRBLRRKV-RBUKOAKNSA-N	1	0	364.449	1.875	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1	ZINC000471649490	538531781	/nfs/dbraw/zinc/53/17/81/538531781.db2.gz	PQRJFFXCVZPARW-MOPGFXCFSA-N	1	0	354.454	1.714	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](NC(=O)NC)C2)c(OC)c1	ZINC000466925919	538577128	/nfs/dbraw/zinc/57/71/28/538577128.db2.gz	QAPWCMBYCQTOJY-HZPDHXFCSA-N	1	0	363.458	1.167	20	30		FDEDRO
N#Cc1cccnc1-n1cc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cn1	ZINC000462070365	538593517	/nfs/dbraw/zinc/59/35/17/538593517.db2.gz	GZVPQYBLSCMYCZ-JKSUJKDBSA-N	1	0	351.414	1.887	20	30		FDEDRO
CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000482160187	538612170	/nfs/dbraw/zinc/61/21/70/538612170.db2.gz	ZHCWRKLEZOVXPS-UONOGXRCSA-N	1	0	366.487	1.072	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1	ZINC000495543376	538669537	/nfs/dbraw/zinc/66/95/37/538669537.db2.gz	BDWIEKYNVZZRIO-JKSUJKDBSA-N	1	0	372.469	1.367	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCC[NH+]2CCCC2)cc1	ZINC000483485784	538706008	/nfs/dbraw/zinc/70/60/08/538706008.db2.gz	HGZJLPZSXSZBDE-AWEZNQCLSA-N	1	0	364.471	1.980	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1	ZINC000488178500	538721447	/nfs/dbraw/zinc/72/14/47/538721447.db2.gz	NUCKDKJEJVYEQV-QFBILLFUSA-N	1	0	373.497	1.730	20	30		FDEDRO
COCCOC[C@@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000466094728	538742113	/nfs/dbraw/zinc/74/21/13/538742113.db2.gz	RBUMXMQEFNAWNF-QGZVFWFLSA-N	1	0	374.485	1.827	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)CC3)CC1	ZINC000473212730	538760253	/nfs/dbraw/zinc/76/02/53/538760253.db2.gz	BVPHVJSZHLQTHX-UHFFFAOYSA-N	1	0	370.453	1.020	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](C#N)c2ccccc2F)CC1=O	ZINC000498255819	538818164	/nfs/dbraw/zinc/81/81/64/538818164.db2.gz	UWANIRDRWZSCCJ-HDMKZQKVSA-N	1	0	372.444	1.839	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC(C)(C)CCC#N	ZINC000491036594	538860620	/nfs/dbraw/zinc/86/06/20/538860620.db2.gz	MWGUDPQBDHVKFD-OAHLLOKOSA-N	1	0	351.495	1.558	20	30		FDEDRO
C[C@@H](C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)n1cnc(C#N)n1	ZINC000560760706	545595914	/nfs/dbraw/zinc/59/59/14/545595914.db2.gz	QMOZBOKOQUUEAT-JXFKEZNVSA-N	1	0	364.453	1.835	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2C[C@H](OCC)C2(C)C)CC1	ZINC000561414717	545838829	/nfs/dbraw/zinc/83/88/29/545838829.db2.gz	MOMUIIUKORYLFK-HOTGVXAUSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2c2ccccn2)CC1	ZINC000561439180	545852924	/nfs/dbraw/zinc/85/29/24/545852924.db2.gz	JCXDPAZWMBQQOC-SFHVURJKSA-N	1	0	356.470	1.902	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NCc1ccncc1OCC[NH+](C)C	ZINC000561851109	545967165	/nfs/dbraw/zinc/96/71/65/545967165.db2.gz	JMHGLDPXAVNTGB-UHFFFAOYSA-N	1	0	356.426	1.912	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](C(=O)NCCNc3cc[nH+]cc3)C2)c(F)c1	ZINC000562287565	546078597	/nfs/dbraw/zinc/07/85/97/546078597.db2.gz	KGOZTHZZWNCAIC-OAHLLOKOSA-N	1	0	353.401	1.569	20	30		FDEDRO
N#Cc1ccccc1N1CCCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1	ZINC000562819664	546283399	/nfs/dbraw/zinc/28/33/99/546283399.db2.gz	ALBWPMJXMAWDQX-INIZCTEOSA-N	1	0	363.412	1.777	20	30		FDEDRO
CCc1n[nH]c(=O)c(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)c1CC	ZINC000562996732	546347297	/nfs/dbraw/zinc/34/72/97/546347297.db2.gz	NIAJBOLYCBHXST-UHFFFAOYSA-N	1	0	374.466	1.742	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1	ZINC000563003604	546350330	/nfs/dbraw/zinc/35/03/30/546350330.db2.gz	VNXGPHXUQYCKLG-WOJBJXKFSA-N	1	0	360.502	1.073	20	30		FDEDRO
N#Cc1cnn2cc(C[NH+]3CCC(C(=O)N4CCCCC4)CC3)cnc12	ZINC000563154875	546428503	/nfs/dbraw/zinc/42/85/03/546428503.db2.gz	ZIWMTIQZYXSGNE-UHFFFAOYSA-N	1	0	352.442	1.825	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)n1	ZINC000563519683	546568002	/nfs/dbraw/zinc/56/80/02/546568002.db2.gz	WRHFLICGIUNYNH-GOSISDBHSA-N	1	0	354.389	2.100	20	30		FDEDRO
C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1	ZINC000563784058	546682658	/nfs/dbraw/zinc/68/26/58/546682658.db2.gz	RPXICJZSTKSHBA-IRXDYDNUSA-N	1	0	368.547	1.500	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCc2ccc(CC#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000564204978	546843483	/nfs/dbraw/zinc/84/34/83/546843483.db2.gz	KTGOHFPSVQRMRB-YLJYHZDGSA-N	1	0	369.513	1.920	20	30		FDEDRO
C=CCOC[C@@H](NC(=O)C1CCN(c2cc[nH+]cc2C)CC1)C(=O)OC	ZINC000564811134	547047118	/nfs/dbraw/zinc/04/71/18/547047118.db2.gz	IWEODYFKXOWUMS-MRXNPFEDSA-N	1	0	361.442	1.467	20	30		FDEDRO
Cc1nn(C)c(N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1C#N	ZINC000565349430	547315082	/nfs/dbraw/zinc/31/50/82/547315082.db2.gz	VZTJKNRCYVMVSS-IBGZPJMESA-N	1	0	364.497	1.997	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1	ZINC000565521497	547382036	/nfs/dbraw/zinc/38/20/36/547382036.db2.gz	ZEPALTJXODYWRZ-JFRXWTBNSA-N	1	0	362.518	1.472	20	30		FDEDRO
C=CC[N@@H+](CCNC(=O)NC(C)C)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000565536506	547389249	/nfs/dbraw/zinc/38/92/49/547389249.db2.gz	LXJQMYKTOFDAQC-OAHLLOKOSA-N	1	0	357.462	1.919	20	30		FDEDRO
CC[N@H+](C)C[C@@H](O)CN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1	ZINC000565665992	547438123	/nfs/dbraw/zinc/43/81/23/547438123.db2.gz	NTSLPLVFFXZVAJ-MSOLQXFVSA-N	1	0	350.894	1.835	20	30		FDEDRO
C[NH+](C)Cc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1	ZINC000566038108	547575747	/nfs/dbraw/zinc/57/57/47/547575747.db2.gz	COMKDGHEDMIXMA-UHFFFAOYSA-N	1	0	372.450	1.537	20	30		FDEDRO
C=CCn1c(CC(F)(F)F)nnc1N1CC[NH+](C2CCOCC2)CC1	ZINC000566221798	547666010	/nfs/dbraw/zinc/66/60/10/547666010.db2.gz	USECDFSOGYYXLG-UHFFFAOYSA-N	1	0	359.396	1.870	20	30		FDEDRO
N#C[C@H]1CC[C@@H](NC(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)C1	ZINC000566557712	547804962	/nfs/dbraw/zinc/80/49/62/547804962.db2.gz	HTLJQSIWQBTJLV-IPMKNSEASA-N	1	0	356.470	1.921	20	30		FDEDRO
C[NH+](C)C[C@H](O)COc1ccc(NC(=O)Nc2cccc(C#N)n2)cc1	ZINC000566618831	547829545	/nfs/dbraw/zinc/82/95/45/547829545.db2.gz	JLLCWZGXFWXCIF-HNNXBMFYSA-N	1	0	355.398	1.899	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]C2CCN(Cc3ccccn3)CC2)cc1	ZINC000566633181	547835150	/nfs/dbraw/zinc/83/51/50/547835150.db2.gz	ZOSASVJJHXILTJ-FQEVSTJZSA-N	1	0	366.465	1.947	20	30		FDEDRO
C=CCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1	ZINC000566883584	547917741	/nfs/dbraw/zinc/91/77/41/547917741.db2.gz	FKDHMQKAYFRHRP-KRWDZBQOSA-N	1	0	355.490	1.999	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1	ZINC000567061770	547982725	/nfs/dbraw/zinc/98/27/25/547982725.db2.gz	FBFCEJAVCZGXMW-UHFFFAOYSA-N	1	0	373.501	1.312	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)C1	ZINC000567247581	548050629	/nfs/dbraw/zinc/05/06/29/548050629.db2.gz	LDZINVFXTLIAFS-CZUORRHYSA-N	1	0	358.467	1.740	20	30		FDEDRO
COC[C@@]1(CNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CCC[NH2+]1	ZINC000567455131	548122838	/nfs/dbraw/zinc/12/28/38/548122838.db2.gz	UVNWEUWRILOFIK-QUCCMNQESA-N	1	0	371.485	1.175	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(C#N)n1)Cc1ccccc1	ZINC000567468928	548128126	/nfs/dbraw/zinc/12/81/26/548128126.db2.gz	HRXHBXWQFCMPHZ-INIZCTEOSA-N	1	0	351.410	1.181	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)c1C#N	ZINC000567536089	548153446	/nfs/dbraw/zinc/15/34/46/548153446.db2.gz	AKEIROYBZWJBSS-UHFFFAOYSA-N	1	0	358.490	1.369	20	30		FDEDRO
C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)C(=O)N1CCCC[C@H]1C	ZINC000567605792	548179306	/nfs/dbraw/zinc/17/93/06/548179306.db2.gz	FPYBJBSVJQXQGD-RYRKJORJSA-N	1	0	359.470	1.871	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)Nc3ccc4c(c3)C[NH2+]CC4)CC2)n1	ZINC000567712664	548224712	/nfs/dbraw/zinc/22/47/12/548224712.db2.gz	NKCBJACHHLNCQI-UHFFFAOYSA-N	1	0	362.437	1.953	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CC[C@H](C#N)C3)cn2)CC1	ZINC000568386058	548514659	/nfs/dbraw/zinc/51/46/59/548514659.db2.gz	MDRDRPDYYURCJP-DOTOQJQBSA-N	1	0	356.474	1.715	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)cc1	ZINC000568579352	548591630	/nfs/dbraw/zinc/59/16/30/548591630.db2.gz	QVBKAWFFPGPHNW-KRWDZBQOSA-N	1	0	363.483	1.824	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1	ZINC000568601191	548600272	/nfs/dbraw/zinc/60/02/72/548600272.db2.gz	RKZPUFKRBJGJHS-HCXYKTFWSA-N	1	0	359.470	1.655	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)Nc2cc(C)c(C#N)cn2)C1	ZINC000568777736	548677734	/nfs/dbraw/zinc/67/77/34/548677734.db2.gz	GPYKOLLOBBYKAC-INIZCTEOSA-N	1	0	373.457	1.160	20	30		FDEDRO
C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	ZINC000568866886	548712524	/nfs/dbraw/zinc/71/25/24/548712524.db2.gz	OEWCNUGTNMWIIT-QBBMROGASA-N	1	0	372.469	1.606	20	30		FDEDRO
C=CCn1c([C@@H](C)CC)nnc1N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1	ZINC000569191110	548827770	/nfs/dbraw/zinc/82/77/70/548827770.db2.gz	IFRQCZQMYVVDNE-HOTGVXAUSA-N	1	0	360.506	1.768	20	30		FDEDRO
O=C(NCC#Cc1cccc(C(F)(F)F)c1)NC[C@@H]1C[NH2+]CCCO1	ZINC000569576298	548967176	/nfs/dbraw/zinc/96/71/76/548967176.db2.gz	XFSKOFXEXXUQFC-HNNXBMFYSA-N	1	0	355.360	1.735	20	30		FDEDRO
CN(C)[C@@H](CNC(=O)N1CCN(c2cnccc2C#N)CC1)c1ccco1	ZINC000569661767	548998510	/nfs/dbraw/zinc/99/85/10/548998510.db2.gz	HLECWLCAALOWPK-KRWDZBQOSA-N	1	0	368.441	1.681	20	30		FDEDRO
N#CCc1ccc(CS(=O)(=O)NCCC[NH+]2CCC(O)CC2)cc1	ZINC000570327086	549240110	/nfs/dbraw/zinc/24/01/10/549240110.db2.gz	OITAFTPAAQTHSB-UHFFFAOYSA-N	1	0	351.472	1.019	20	30		FDEDRO
Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]([C@H](C)C(=O)NC3(C#N)CCC3)C2)nc1	ZINC000570334549	549242925	/nfs/dbraw/zinc/24/29/25/549242925.db2.gz	IMVHXVPNHAEMQN-CVEARBPZSA-N	1	0	369.469	1.992	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)CC1	ZINC000570472276	549292476	/nfs/dbraw/zinc/29/24/76/549292476.db2.gz	AFHWKGIKGUCXAY-UHFFFAOYSA-N	1	0	361.490	1.432	20	30		FDEDRO
CC1(CNS(=O)(=O)c2ccc(C#N)c(Br)c2)CC[NH2+]CC1	ZINC000570515549	549307471	/nfs/dbraw/zinc/30/74/71/549307471.db2.gz	JBMGWMDHLHNAJG-UHFFFAOYSA-N	1	0	372.288	1.989	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000570679378	549372006	/nfs/dbraw/zinc/37/20/06/549372006.db2.gz	UGVYDBPGCCHALD-ROUUACIJSA-N	1	0	371.485	1.021	20	30		FDEDRO
Cc1cccc(C[C@@H](CO)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)c1	ZINC000570682481	549374307	/nfs/dbraw/zinc/37/43/07/549374307.db2.gz	GURCNTCXCFJGOZ-KRWDZBQOSA-N	1	0	359.451	1.229	20	30		FDEDRO
C=CCCCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000570719612	549388402	/nfs/dbraw/zinc/38/84/02/549388402.db2.gz	WDUWRCGNCXAVHC-SJORKVTESA-N	1	0	351.491	1.343	20	30		FDEDRO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1	ZINC000570792560	549412394	/nfs/dbraw/zinc/41/23/94/549412394.db2.gz	LVAQJYKHPJJFQC-RBUKOAKNSA-N	1	0	355.482	1.987	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCCCS2(=O)=O)cc1	ZINC000570795415	549413609	/nfs/dbraw/zinc/41/36/09/549413609.db2.gz	ZKDYMEJYEXZHNY-NVXWUHKLSA-N	1	0	352.456	1.049	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)c(OC)c1	ZINC000570823757	549425761	/nfs/dbraw/zinc/42/57/61/549425761.db2.gz	MSDYDLBXVYFERT-IAGOWNOFSA-N	1	0	362.470	1.716	20	30		FDEDRO
N#CCc1ccc(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1	ZINC000570924121	549461736	/nfs/dbraw/zinc/46/17/36/549461736.db2.gz	VXKPMGMAHVVLNL-UHFFFAOYSA-N	1	0	369.469	1.202	20	30		FDEDRO
COc1cc(CNC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)ccc1C#N	ZINC000571339810	549611363	/nfs/dbraw/zinc/61/13/63/549611363.db2.gz	AVVYGUFFQKJHIR-OAHLLOKOSA-N	1	0	372.469	1.962	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O	ZINC000572029818	549827116	/nfs/dbraw/zinc/82/71/16/549827116.db2.gz	XYVOICOAIVLJFV-XJKSGUPXSA-N	1	0	368.840	1.380	20	30		FDEDRO
CC[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1I	ZINC000572061038	549834057	/nfs/dbraw/zinc/83/40/57/549834057.db2.gz	WHKFPGPQJDVWHV-LLVKDONJSA-N	1	0	360.195	1.854	20	30		FDEDRO
COC(=O)[C@H](C)CN(CCS(=O)(=O)c1ccc(C#N)cn1)C1CC1	ZINC000572440145	549915084	/nfs/dbraw/zinc/91/50/84/549915084.db2.gz	SEMIYMLXLRBFLB-GFCCVEGCSA-N	1	0	351.428	1.000	20	30		FDEDRO
N#CCCC[C@H](NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1ccccc1	ZINC000572736955	549983953	/nfs/dbraw/zinc/98/39/53/549983953.db2.gz	LDQKGEXODFZXBC-IKGGRYGDSA-N	1	0	355.442	1.375	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)N[C@H](C)C[N@H+](C)C(C)C)CC2)c1C#N	ZINC000572776818	549992611	/nfs/dbraw/zinc/99/26/11/549992611.db2.gz	XPGJIFIPPGXWOS-CQSZACIVSA-N	1	0	361.494	1.161	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(S(=O)(=O)CC3(CC#N)CC3)CC2)c1	ZINC000573072330	550056983	/nfs/dbraw/zinc/05/69/83/550056983.db2.gz	GMAHJGXDQDNCCE-UHFFFAOYSA-N	1	0	350.444	1.236	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c1	ZINC000573557171	550163411	/nfs/dbraw/zinc/16/34/11/550163411.db2.gz	VIUVJNLVVSWQIM-NVXWUHKLSA-N	1	0	366.508	1.976	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000573656092	550185021	/nfs/dbraw/zinc/18/50/21/550185021.db2.gz	ZWODCXQQNHLAEI-PMPSAXMXSA-N	1	0	360.483	1.390	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cnc(CC3CC3)nc2)CC1	ZINC000573928713	550233540	/nfs/dbraw/zinc/23/35/40/550233540.db2.gz	GABXZYDXYVURPI-UHFFFAOYSA-N	1	0	357.458	1.524	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NCc2cnc3c(C#N)cnn3c2)[C@@H](C)C1	ZINC000574324583	550296020	/nfs/dbraw/zinc/29/60/20/550296020.db2.gz	RYUJXSLKWVMXNQ-MAUKXSAKSA-N	1	0	356.474	1.828	20	30		FDEDRO
CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000574560696	550333602	/nfs/dbraw/zinc/33/36/02/550333602.db2.gz	SCFYJXDQCWPIFW-CYBMUJFWSA-N	1	0	356.405	2.441	20	30		FDEDRO
C[C@H]1CN(CCO)CCN1C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000574616019	550342217	/nfs/dbraw/zinc/34/22/17/550342217.db2.gz	WIGNIPDTDDPTHJ-HOCLYGCPSA-N	1	0	360.433	1.049	20	30		FDEDRO
C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000574620930	550343115	/nfs/dbraw/zinc/34/31/15/550343115.db2.gz	UXEHVXFIUQYXHX-BXUZGUMPSA-N	1	0	355.402	1.373	20	30		FDEDRO
C[NH+](C)C[C@@H](CNC(=O)CNc1ccc(C#N)cn1)c1ccc(Cl)cc1	ZINC000574643041	550347040	/nfs/dbraw/zinc/34/70/40/550347040.db2.gz	MYWZVDVSCCNGAV-MRXNPFEDSA-N	1	0	371.872	2.480	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC(CCC#N)CC2)CC1	ZINC000574872424	550384244	/nfs/dbraw/zinc/38/42/44/550384244.db2.gz	MUNXFPLSPUKLBF-UHFFFAOYSA-N	1	0	363.506	1.654	20	30		FDEDRO
COC1(CNC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CCC1	ZINC000575908277	550489530	/nfs/dbraw/zinc/48/95/30/550489530.db2.gz	PBUXZYBKPVAZNH-UHFFFAOYSA-N	1	0	372.469	1.134	20	30		FDEDRO
CC[NH+]1CCC(CNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1	ZINC000576563099	550562437	/nfs/dbraw/zinc/56/24/37/550562437.db2.gz	OJCUMFGNSJOLMA-UHFFFAOYSA-N	1	0	373.505	1.164	20	30		FDEDRO
COCCn1cc2c(n1)[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)CCC2	ZINC000576745911	550581313	/nfs/dbraw/zinc/58/13/13/550581313.db2.gz	CPIVGNXUBJKDMZ-IEBWSBKVSA-N	1	0	370.453	1.808	20	30		FDEDRO
CC1CC[NH+](CCCNCCS(=O)(=O)c2ccc(C#N)cn2)CC1	ZINC000576786927	550585813	/nfs/dbraw/zinc/58/58/13/550585813.db2.gz	VKDUIVGTCFXDHQ-UHFFFAOYSA-N	1	0	350.488	1.439	20	30		FDEDRO
Cc1ccc(C(=O)N2CCC([NH2+]C[C@@H](O)CN(C)CCC#N)CC2)cc1	ZINC000576816001	550588684	/nfs/dbraw/zinc/58/86/84/550588684.db2.gz	FZPUJVRIUHNPBU-LJQANCHMSA-N	1	0	358.486	1.396	20	30		FDEDRO
CCO[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000576937900	550602048	/nfs/dbraw/zinc/60/20/48/550602048.db2.gz	HCCPLCCLOQDXKC-GDBMZVCRSA-N	1	0	361.446	1.051	20	30		FDEDRO
CN(Cc1ccc(F)cc1)C(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000577085188	550619178	/nfs/dbraw/zinc/61/91/78/550619178.db2.gz	KBBQYRFUZPJQNI-UHFFFAOYSA-N	1	0	358.421	1.526	20	30		FDEDRO
C[N@@H+]1CCC[C@H](CCNC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1	ZINC000577705084	550685147	/nfs/dbraw/zinc/68/51/47/550685147.db2.gz	CJJPFSAZORGAJL-MRXNPFEDSA-N	1	0	356.474	1.517	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NC1CCC(N2CC[NH2+]CC2)CC1	ZINC000577831974	550699158	/nfs/dbraw/zinc/69/91/58/550699158.db2.gz	AZOILDXBQDCBRH-FCCDEINASA-N	1	0	350.507	1.483	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000578034659	550721486	/nfs/dbraw/zinc/72/14/86/550721486.db2.gz	LSGXQHZIFSTCHQ-HDICACEKSA-N	1	0	373.522	1.612	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)n1cnc(C#N)n1	ZINC000578060883	550724194	/nfs/dbraw/zinc/72/41/94/550724194.db2.gz	QOUIPIYMKADGPH-NJAFHUGGSA-N	1	0	364.453	1.691	20	30		FDEDRO
CSC1(CNC(=O)C(=O)Nc2ccc(C#N)cc2F)CC[NH+](C)CC1	ZINC000578328887	550752724	/nfs/dbraw/zinc/75/27/24/550752724.db2.gz	NCEMBSOJECLLBA-UHFFFAOYSA-N	1	0	364.446	1.579	20	30		FDEDRO
CO[C@@]1(C)C[C@@H](N(C)CCS(=O)(=O)c2ccc(C#N)cn2)C1(C)C	ZINC000578657826	550788075	/nfs/dbraw/zinc/78/80/75/550788075.db2.gz	AIKJPPKORZSCOD-PBHICJAKSA-N	1	0	351.472	1.862	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1	ZINC000578753784	550797961	/nfs/dbraw/zinc/79/79/61/550797961.db2.gz	GEMBQXHWLVWAIX-HNNXBMFYSA-N	1	0	364.515	1.822	20	30		FDEDRO
C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C#N)c(Br)c2)C1	ZINC000579188934	550845217	/nfs/dbraw/zinc/84/52/17/550845217.db2.gz	XLHUBVPVZAIBBF-LLVKDONJSA-N	1	0	372.288	1.941	20	30		FDEDRO
N#Cc1ccc(OC2CCC(NC(=O)N3CCO[C@@H](C[NH3+])C3)CC2)nc1	ZINC000579453253	550874675	/nfs/dbraw/zinc/87/46/75/550874675.db2.gz	RWLHNWVXQQCPNB-GPANFISMSA-N	1	0	359.430	1.012	20	30		FDEDRO
C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1CCC(C#N)CC1)C1CC1	ZINC000579632171	550894410	/nfs/dbraw/zinc/89/44/10/550894410.db2.gz	NSDZWGTZIRPEQA-IBGZPJMESA-N	1	0	368.481	1.775	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000579827892	550914424	/nfs/dbraw/zinc/91/44/24/550914424.db2.gz	ZGQDSZXULJGTKL-OALUTQOASA-N	1	0	358.486	1.016	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2nnc(SC)s2)CC1	ZINC000579871541	550919146	/nfs/dbraw/zinc/91/91/46/550919146.db2.gz	QVWFLPHCGJUPBK-UHFFFAOYSA-N	1	0	369.516	1.033	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCCN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)[C@@H]2C1	ZINC000580425939	550981086	/nfs/dbraw/zinc/98/10/86/550981086.db2.gz	SKKJKFGFEWOEGV-GOEBONIOSA-N	1	0	351.414	1.697	20	30		FDEDRO
C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(C)(CO)CO	ZINC000580466942	550985493	/nfs/dbraw/zinc/98/54/93/550985493.db2.gz	RQUKAROCBDOPBY-UHFFFAOYSA-N	1	0	354.520	1.576	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C	ZINC000580465489	550985572	/nfs/dbraw/zinc/98/55/72/550985572.db2.gz	KXHPDMYHFJHJAL-INIZCTEOSA-N	1	0	351.491	1.561	20	30		FDEDRO
N#Cc1ccccc1CSCC[NH2+]CC1(O)CCS(=O)(=O)CC1	ZINC000580642032	551003372	/nfs/dbraw/zinc/00/33/72/551003372.db2.gz	UGQGIFJLOUYCFM-UHFFFAOYSA-N	1	0	354.497	1.321	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+][C@@H]3CC(=O)N([C@H]4C[C@@H]4c4ccccc4)C3)cnc12	ZINC000580646551	551004446	/nfs/dbraw/zinc/00/44/46/551004446.db2.gz	LSCGSTBUUSHVFZ-QRVBRYPASA-N	1	0	372.432	1.848	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1	ZINC000580848954	551025519	/nfs/dbraw/zinc/02/55/19/551025519.db2.gz	SCVFIZXPUNKCCX-SFHVURJKSA-N	1	0	350.422	1.758	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)N[C@@H]3C[C@H]3C3CC[NH2+]CC3)CC2)cc1	ZINC000581478563	551093043	/nfs/dbraw/zinc/09/30/43/551093043.db2.gz	AATDEYZCTPLCEL-VQTJNVASSA-N	1	0	367.497	1.774	20	30		FDEDRO
C=CCn1c([C@@H]2CCOC2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C	ZINC000581516905	551098389	/nfs/dbraw/zinc/09/83/89/551098389.db2.gz	CRPAWKRDIOHIIL-JKSUJKDBSA-N	1	0	361.490	1.658	20	30		FDEDRO
C[C@@H]1CCC[C@@](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)(N(C)C)C1	ZINC000581849184	551140361	/nfs/dbraw/zinc/14/03/61/551140361.db2.gz	DPOUZFUKZYHXRJ-CRAIPNDOSA-N	1	0	364.515	1.827	20	30		FDEDRO
COCC[NH2+]C1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000582067652	551171228	/nfs/dbraw/zinc/17/12/28/551171228.db2.gz	CUKMSMUHKJONKD-UHFFFAOYSA-N	1	0	364.833	1.377	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]CCc2cn3ccccc3n2)cc1	ZINC000582720219	551259269	/nfs/dbraw/zinc/25/92/69/551259269.db2.gz	FVXQTIFULIPKEG-GOSISDBHSA-N	1	0	350.422	1.972	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000583335653	551337045	/nfs/dbraw/zinc/33/70/45/551337045.db2.gz	ZUOJBCYZPDBMRU-HIFRSBDPSA-N	1	0	351.491	1.509	20	30		FDEDRO
Cc1ccccc1[C@@H](OC[C@H](O)C[NH2+]CC(=O)NCC#N)c1ccccc1	ZINC000583626755	551378716	/nfs/dbraw/zinc/37/87/16/551378716.db2.gz	JBFOPGOATFTLAL-NQIIRXRSSA-N	1	0	367.449	1.691	20	30		FDEDRO
CC(C)[NH2+]CCCNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000584102965	551447118	/nfs/dbraw/zinc/44/71/18/551447118.db2.gz	GGXATOPDXZOUHJ-KRWDZBQOSA-N	1	0	357.458	1.346	20	30		FDEDRO
C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1	ZINC000584214308	551464300	/nfs/dbraw/zinc/46/43/00/551464300.db2.gz	VBKCGAHLCNZWAC-HNNXBMFYSA-N	1	0	356.478	1.631	20	30		FDEDRO
N#Cc1ccc(N2C(=O)C[C@@H](N3CC[C@@H](C(=O)N4CCCC4)C3)C2=O)cc1	ZINC000584369323	551487281	/nfs/dbraw/zinc/48/72/81/551487281.db2.gz	UVRFYRGPDBAVKD-NVXWUHKLSA-N	1	0	366.421	1.134	20	30		FDEDRO
N#Cc1ccc(N2C(=O)C[C@H](N3CC[C@H](C(=O)N4CCCC4)C3)C2=O)cc1	ZINC000584369324	551487444	/nfs/dbraw/zinc/48/74/44/551487444.db2.gz	UVRFYRGPDBAVKD-RDJZCZTQSA-N	1	0	366.421	1.134	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccc(C#N)cc1	ZINC000584460278	551500220	/nfs/dbraw/zinc/50/02/20/551500220.db2.gz	VIWCWQASGSEGAX-CRAIPNDOSA-N	1	0	368.481	1.926	20	30		FDEDRO
CC(C)[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)[C@H](O)C(F)(F)F	ZINC000584470167	551502227	/nfs/dbraw/zinc/50/22/27/551502227.db2.gz	NNHZIBZIYRLCMA-KBPBESRZSA-N	1	0	364.389	1.869	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CCC)C[C@@H]2CCCCO2)CC1	ZINC000584855681	551560916	/nfs/dbraw/zinc/56/09/16/551560916.db2.gz	PNNGNFKJUNRCLP-SFHVURJKSA-N	1	0	365.518	1.951	20	30		FDEDRO
CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)Cc3c(F)cccc3C#N)CC2)CC1	ZINC000586807723	551621015	/nfs/dbraw/zinc/62/10/15/551621015.db2.gz	UCQNXSVRSYEORU-CALCHBBNSA-N	1	0	358.461	1.915	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1)[NH+]1CCC(C)CC1	ZINC000586827879	551622972	/nfs/dbraw/zinc/62/29/72/551622972.db2.gz	ZOAKXVSJZYWIFU-HOTGVXAUSA-N	1	0	356.470	1.972	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1)[NH+]1CCC(C)CC1	ZINC000586827878	551623125	/nfs/dbraw/zinc/62/31/25/551623125.db2.gz	ZOAKXVSJZYWIFU-CVEARBPZSA-N	1	0	356.470	1.972	20	30		FDEDRO
C[NH+](C)CCC1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1	ZINC000586858592	551626351	/nfs/dbraw/zinc/62/63/51/551626351.db2.gz	CLGZMCVYLBBTGB-UHFFFAOYSA-N	1	0	360.433	1.504	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCC(c3c[nH]cn3)CC2)c(F)c1	ZINC000586861946	551627287	/nfs/dbraw/zinc/62/72/87/551627287.db2.gz	DZBGUGZNKLWNPW-UHFFFAOYSA-N	1	0	355.373	1.443	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(C#N)cc2F)C[C@H]1C	ZINC000586864437	551628178	/nfs/dbraw/zinc/62/81/78/551628178.db2.gz	VBGBOPRTIUPYAA-CZUORRHYSA-N	1	0	360.433	1.645	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H](C)c1cccc(C#N)c1	ZINC000587663640	551633055	/nfs/dbraw/zinc/63/30/55/551633055.db2.gz	AJCSAEIOTRNAJQ-OLMNPRSZSA-N	1	0	354.454	1.821	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)c1cccc(C#N)c1	ZINC000587663891	551633252	/nfs/dbraw/zinc/63/32/52/551633252.db2.gz	DAOLTLHAPNAIQS-HNNXBMFYSA-N	1	0	372.469	1.041	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)c1cccc(C#N)c1	ZINC000587705103	551634117	/nfs/dbraw/zinc/63/41/17/551634117.db2.gz	QTTULJIARHNNQS-NNGSBXSVSA-N	1	0	354.454	1.869	20	30		FDEDRO
C=CCOc1ccc(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1	ZINC000588007340	551640280	/nfs/dbraw/zinc/64/02/80/551640280.db2.gz	FVYBOEQLURJCSJ-GOSISDBHSA-N	1	0	359.470	1.924	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)NCC[NH+]1CCCC1	ZINC000588109813	551648192	/nfs/dbraw/zinc/64/81/92/551648192.db2.gz	ODQJSANFONHDKF-UHFFFAOYSA-N	1	0	358.261	1.695	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(O)cc(C#N)c3)cn2)CC1	ZINC000589170277	551715199	/nfs/dbraw/zinc/71/51/99/551715199.db2.gz	ZUWAIVUGJLHIBU-UHFFFAOYSA-N	1	0	365.437	1.731	20	30		FDEDRO
CS(=O)(=O)c1ccc(N(CC[NH3+])Cc2ccc(C#N)cc2)c([N+](=O)[O-])c1	ZINC000589191103	551716205	/nfs/dbraw/zinc/71/62/05/551716205.db2.gz	KFMQCEUNMTUWNS-UHFFFAOYSA-N	1	0	374.422	1.835	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)[C@@H]2C1	ZINC000590010319	551756719	/nfs/dbraw/zinc/75/67/19/551756719.db2.gz	BVTHVXXIOVOYKN-GVDBMIGSSA-N	1	0	373.526	1.093	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1	ZINC000590193173	551764321	/nfs/dbraw/zinc/76/43/21/551764321.db2.gz	ICUJGRFCDSYLTE-ICSRJNTNSA-N	1	0	361.534	1.096	20	30		FDEDRO
CC(=O)Nc1ccc(C[NH+]2CCC(Nc3ccc(C#N)nn3)CC2)cc1	ZINC000590721774	551808351	/nfs/dbraw/zinc/80/83/51/551808351.db2.gz	VBLYLDFTHCLPJY-UHFFFAOYSA-N	1	0	350.426	2.383	20	30		FDEDRO
COCCN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C	ZINC000590783821	551816308	/nfs/dbraw/zinc/81/63/08/551816308.db2.gz	PLKDODBXMGBEGT-KRWDZBQOSA-N	1	0	358.442	1.563	20	30		FDEDRO
N#Cc1cccc([N+](=O)[O-])c1CN1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000590955103	551829948	/nfs/dbraw/zinc/82/99/48/551829948.db2.gz	XFGIBMXOERBFMK-QGZVFWFLSA-N	1	0	357.414	1.381	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)CC1	ZINC000591021810	551836473	/nfs/dbraw/zinc/83/64/73/551836473.db2.gz	OFTNFWWDKNFSQD-INIZCTEOSA-N	1	0	372.444	1.321	20	30		FDEDRO
C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1cc(C#N)ccc1OCCOC	ZINC000591297887	551857887	/nfs/dbraw/zinc/85/78/87/551857887.db2.gz	FPARCKPGRXDDGD-KBPBESRZSA-N	1	0	350.394	1.747	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c(F)c1	ZINC000591350971	551865010	/nfs/dbraw/zinc/86/50/10/551865010.db2.gz	RGFPWYIHXCZYKG-MRXNPFEDSA-N	1	0	373.432	1.051	20	30		FDEDRO
C[C@H]1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[C@H]1C[NH3+]	ZINC000591350556	551865060	/nfs/dbraw/zinc/86/50/60/551865060.db2.gz	OPBIUQREWUDNDQ-GOEBONIOSA-N	1	0	356.474	1.548	20	30		FDEDRO
C[C@H](NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])c1cccc(C#N)c1	ZINC000591353621	551865160	/nfs/dbraw/zinc/86/51/60/551865160.db2.gz	GEPMKRARONNQLY-WMLDXEAASA-N	1	0	357.458	1.648	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)NCc3ccc4c(c3)C[NH2+]C4)C2)nc1	ZINC000591360256	551866098	/nfs/dbraw/zinc/86/60/98/551866098.db2.gz	FXBHPHGZAXAPOF-GOSISDBHSA-N	1	0	363.421	1.919	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCN2CCCCCC2=O)nc1	ZINC000591723228	551903336	/nfs/dbraw/zinc/90/33/36/551903336.db2.gz	OALNPLXOOBEQKA-UHFFFAOYSA-N	1	0	364.471	1.109	20	30		FDEDRO
N#CCN1CCC([NH2+]CCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC1	ZINC000591735992	551904875	/nfs/dbraw/zinc/90/48/75/551904875.db2.gz	CQMBIPHYUCQZGN-UHFFFAOYSA-N	1	0	369.469	1.720	20	30		FDEDRO
N#CC[C@@]1(O)CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1	ZINC000591914750	551916299	/nfs/dbraw/zinc/91/62/99/551916299.db2.gz	IWLCFYIXQSDRGY-QGZVFWFLSA-N	1	0	352.504	1.408	20	30		FDEDRO
C[C@H](NC(=O)N1CC[C@](O)(CC#N)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000592006279	551925723	/nfs/dbraw/zinc/92/57/23/551925723.db2.gz	LKLOPOZVXIIURB-XKGZKEIXSA-N	1	0	356.470	1.957	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1	ZINC000592088349	551938905	/nfs/dbraw/zinc/93/89/05/551938905.db2.gz	HHVCZTMBPCEIKO-UAGQMJEPSA-N	1	0	350.488	1.400	20	30		FDEDRO
Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CC[C@](O)(CC#N)C2)CC1	ZINC000592145891	551949147	/nfs/dbraw/zinc/94/91/47/551949147.db2.gz	ASKKHYUBMFFZFB-OAQYLSRUSA-N	1	0	370.497	1.380	20	30		FDEDRO
N#CC[C@@]1(O)CC[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1	ZINC000592154913	551951121	/nfs/dbraw/zinc/95/11/21/551951121.db2.gz	WAZIHYRZVOWNSH-UKRRQHHQSA-N	1	0	373.222	1.678	20	30		FDEDRO
CCO[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1SC	ZINC000592166682	551952444	/nfs/dbraw/zinc/95/24/44/551952444.db2.gz	IAYORFQJETWAKV-OAGGEKHMSA-N	1	0	354.497	1.831	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)NC[C@@H]1CCCC[NH2+]1	ZINC000592367598	551984912	/nfs/dbraw/zinc/98/49/12/551984912.db2.gz	VDNMOJHQGILHOJ-JTQLQIEISA-N	1	0	358.261	1.741	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CCO1	ZINC000592373982	551985463	/nfs/dbraw/zinc/98/54/63/551985463.db2.gz	FXDORDOMZRKWNN-RNCFNFMXSA-N	1	0	374.260	1.057	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1	ZINC000592390370	551988431	/nfs/dbraw/zinc/98/84/31/551988431.db2.gz	HLCYMTALTSDMIW-HOTGVXAUSA-N	1	0	363.483	1.967	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)cc1	ZINC000592429187	551994026	/nfs/dbraw/zinc/99/40/26/551994026.db2.gz	BLFDGWKOJSHBKB-MJGOQNOKSA-N	1	0	358.413	1.878	20	30		FDEDRO
C[C@H](CCO)C1(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CCC1	ZINC000592432424	551994344	/nfs/dbraw/zinc/99/43/44/551994344.db2.gz	IHNIOYWECQOAAS-CQSZACIVSA-N	1	0	351.472	1.505	20	30		FDEDRO
N#Cc1cnn2cc(C[N@H+]3CC[C@@H](C(=O)NCc4ccccc4)C3)cnc12	ZINC000592523147	552004735	/nfs/dbraw/zinc/00/47/35/552004735.db2.gz	KBDVIIJEBVJPMO-QGZVFWFLSA-N	1	0	360.421	1.739	20	30		FDEDRO
COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000592530916	552005371	/nfs/dbraw/zinc/00/53/71/552005371.db2.gz	HCFUPJGEGMWQOH-WMZOPIPTSA-N	1	0	368.437	1.820	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NCCN3CCOCC3)CC2)c1	ZINC000593004748	552052526	/nfs/dbraw/zinc/05/25/26/552052526.db2.gz	WVWUROCDGMKSEX-UHFFFAOYSA-N	1	0	371.485	1.154	20	30		FDEDRO
CCn1nc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)ccc1=O	ZINC000593352503	552094486	/nfs/dbraw/zinc/09/44/86/552094486.db2.gz	CLPCVQIOCLVMKP-UHFFFAOYSA-N	1	0	365.437	1.529	20	30		FDEDRO
Cn1cnc(CCNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1	ZINC000593411678	552104782	/nfs/dbraw/zinc/10/47/82/552104782.db2.gz	BLXIPABQTUGNDS-UHFFFAOYSA-N	1	0	366.469	1.798	20	30		FDEDRO
COC(=O)[C@H]1C[C@@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000593415001	552105310	/nfs/dbraw/zinc/10/53/10/552105310.db2.gz	ITOQEBPEVWYCQV-MAEOIBBWSA-N	1	0	370.453	1.773	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3C[C@@H](C(N)=O)C3)CC2)cc1	ZINC000593455420	552111428	/nfs/dbraw/zinc/11/14/28/552111428.db2.gz	JQRJNVGSSULRAF-CALCHBBNSA-N	1	0	355.442	1.039	20	30		FDEDRO
COC[C@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCO1	ZINC000593512802	552119858	/nfs/dbraw/zinc/11/98/58/552119858.db2.gz	TXLNPBAWDKTRNN-LJQANCHMSA-N	1	0	372.469	1.579	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@H]3CC[C@@H](CO)C3)CC2)c1	ZINC000593514717	552120816	/nfs/dbraw/zinc/12/08/16/552120816.db2.gz	ALTCQXBEUWMCQD-MJGOQNOKSA-N	1	0	356.470	1.983	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(S(=O)(=O)c3ccsc3C#N)CC2)c1	ZINC000593543635	552128640	/nfs/dbraw/zinc/12/86/40/552128640.db2.gz	KQMBMMSXPBPQPW-UHFFFAOYSA-N	1	0	364.452	1.534	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)NCc3ccc(C[NH3+])cc3F)C2)nc1	ZINC000593725855	552183445	/nfs/dbraw/zinc/18/34/45/552183445.db2.gz	ZHTIUIWOLRQJNH-MRXNPFEDSA-N	1	0	369.400	1.914	20	30		FDEDRO
N#Cc1ccsc1NC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1	ZINC000593766811	552194179	/nfs/dbraw/zinc/19/41/79/552194179.db2.gz	JYAIBEAEZOLNTC-BFHYXJOUSA-N	1	0	362.455	1.303	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1	ZINC000593767240	552194634	/nfs/dbraw/zinc/19/46/34/552194634.db2.gz	OERFRALNNKSEDH-BQFCYCMXSA-N	1	0	370.453	1.550	20	30		FDEDRO
N#Cc1cccc(-c2csc(NC(=O)C(=O)NCCC3(C[NH3+])CC3)n2)c1	ZINC000593771052	552195202	/nfs/dbraw/zinc/19/52/02/552195202.db2.gz	QJWGSZNOMAHLFR-UHFFFAOYSA-N	1	0	369.450	1.865	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000593907628	552223015	/nfs/dbraw/zinc/22/30/15/552223015.db2.gz	PKRAGJSBHLTQQC-DOMZBBRYSA-N	1	0	370.375	1.278	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)C(=O)N[C@H]3CCSC3)CC2)c1	ZINC000593928179	552227705	/nfs/dbraw/zinc/22/77/05/552227705.db2.gz	KSAMPJOOWLNZFU-KRWDZBQOSA-N	1	0	372.494	1.261	20	30		FDEDRO
COCC[N@H+](CCC(=O)Nc1ccccc1C#N)C[C@H](O)C(F)(F)F	ZINC000594018390	552239128	/nfs/dbraw/zinc/23/91/28/552239128.db2.gz	WOFGCNRNWCISLD-AWEZNQCLSA-N	1	0	359.348	1.758	20	30		FDEDRO
CC(=O)N[C@H]1CCCN(C(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCC2)C1	ZINC000594031810	552241977	/nfs/dbraw/zinc/24/19/77/552241977.db2.gz	JNRLZSZGRFNMRR-SFHVURJKSA-N	1	0	354.454	1.654	20	30		FDEDRO
N#Cc1ccccc1OCc1ccc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)o1	ZINC000594392741	552302035	/nfs/dbraw/zinc/30/20/35/552302035.db2.gz	KHFOOXKWHBWOBY-JKSUJKDBSA-N	1	0	367.405	1.621	20	30		FDEDRO
COc1ccccc1C(=O)N1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1	ZINC000594427586	552308521	/nfs/dbraw/zinc/30/85/21/552308521.db2.gz	JLLWSZICLIZINJ-INIZCTEOSA-N	1	0	358.442	1.391	20	30		FDEDRO
CCc1ccc(C(=O)N2CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC2)cc1	ZINC000594429823	552308531	/nfs/dbraw/zinc/30/85/31/552308531.db2.gz	WQXAKNHOFHRCGM-SFHVURJKSA-N	1	0	356.470	1.945	20	30		FDEDRO
Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)[C@H]([NH3+])CCCCC#N)cc1	ZINC000594435438	552309064	/nfs/dbraw/zinc/30/90/64/552309064.db2.gz	CHNGNCRLEKWBCC-GOEBONIOSA-N	1	0	351.472	1.685	20	30		FDEDRO
CC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1cccc(S(N)(=O)=O)c1	ZINC000594435152	552309094	/nfs/dbraw/zinc/30/90/94/552309094.db2.gz	BMPMMSCETOUNBP-CABCVRRESA-N	1	0	352.460	1.313	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1	ZINC000594434030	552309386	/nfs/dbraw/zinc/30/93/86/552309386.db2.gz	JIOPMUCSWIGFIP-LJQANCHMSA-N	1	0	370.497	1.995	20	30		FDEDRO
Cc1ccc([C@H](CN2CCOCC2)NC(=O)[C@H]([NH3+])CCCCC#N)cc1	ZINC000594440259	552311203	/nfs/dbraw/zinc/31/12/03/552311203.db2.gz	BDHJUQAOYUHXNG-MOPGFXCFSA-N	1	0	358.486	1.896	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1	ZINC000594442689	552311562	/nfs/dbraw/zinc/31/15/62/552311562.db2.gz	HSWFEHDVHLRRFY-SMDDNHRTSA-N	1	0	350.369	1.598	20	30		FDEDRO
CC(=O)N1CCN(c2cccc(NC(=O)[C@@H]([NH3+])CCCCC#N)c2)CC1	ZINC000594445846	552312047	/nfs/dbraw/zinc/31/20/47/552312047.db2.gz	LDHKHIFPZYYQCW-SFHVURJKSA-N	1	0	357.458	1.705	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH2+]C3CCN([C@@H]4CCOC4)CC3)C2=O)cc1	ZINC000594503775	552326578	/nfs/dbraw/zinc/32/65/78/552326578.db2.gz	BIRAQLIVNZFRQM-UXHICEINSA-N	1	0	368.481	1.897	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)C2=O)cc1	ZINC000594525954	552327647	/nfs/dbraw/zinc/32/76/47/552327647.db2.gz	YWEMYUUOSZHKAB-OLZOCXBDSA-N	1	0	369.347	1.242	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1	ZINC000594801195	552390124	/nfs/dbraw/zinc/39/01/24/552390124.db2.gz	KQPPUJDCJJUVEJ-LLVKDONJSA-N	1	0	352.416	1.618	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccncc3)CC2)o1	ZINC000594831684	552401898	/nfs/dbraw/zinc/40/18/98/552401898.db2.gz	VKKFRHXYIDKRGR-UHFFFAOYSA-N	1	0	360.439	1.737	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1	ZINC000594854169	552409871	/nfs/dbraw/zinc/40/98/71/552409871.db2.gz	FCJNGORJBIQLIP-OAHLLOKOSA-N	1	0	358.508	1.090	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1	ZINC000595114393	552455580	/nfs/dbraw/zinc/45/55/80/552455580.db2.gz	ZHVPXJNPXNYFLG-OKZBNKHCSA-N	1	0	363.483	1.606	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1	ZINC000595149908	552468374	/nfs/dbraw/zinc/46/83/74/552468374.db2.gz	GSOAMEFGZPBLPU-MRXNPFEDSA-N	1	0	353.532	1.889	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)C1	ZINC000595194898	552486409	/nfs/dbraw/zinc/48/64/09/552486409.db2.gz	WCJNARGYQGDYHV-OAHLLOKOSA-N	1	0	374.441	1.122	20	30		FDEDRO
Cc1ccc(NC(=O)C(=O)N2CC[C@@](C)(C#N)C2)c(OCC[NH+](C)C)c1	ZINC000595208022	552490567	/nfs/dbraw/zinc/49/05/67/552490567.db2.gz	NXNAUHOEKYANOI-IBGZPJMESA-N	1	0	358.442	1.636	20	30		FDEDRO
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)n1	ZINC000595231453	552499504	/nfs/dbraw/zinc/49/95/04/552499504.db2.gz	VHXCBNKCTFYJBG-CHWSQXEVSA-N	1	0	362.796	2.300	20	30		FDEDRO
N#CC1CCC(CNC(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC1	ZINC000595239013	552502330	/nfs/dbraw/zinc/50/23/30/552502330.db2.gz	LKXCGCHOYXIEPG-JMLCCBQJSA-N	1	0	370.453	1.732	20	30		FDEDRO
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1	ZINC000595275374	552510013	/nfs/dbraw/zinc/51/00/13/552510013.db2.gz	LPKNPNGTLSGJKA-JKSUJKDBSA-N	1	0	366.425	1.622	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3	ZINC000595284865	552511633	/nfs/dbraw/zinc/51/16/33/552511633.db2.gz	XDMCFGDOCQEXTG-UHFFFAOYSA-N	1	0	365.543	1.682	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1Cl	ZINC000595384423	552544021	/nfs/dbraw/zinc/54/40/21/552544021.db2.gz	KUFOHAOTVQUOBX-CQSZACIVSA-N	1	0	369.874	1.431	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CCO1	ZINC000595403784	552551317	/nfs/dbraw/zinc/55/13/17/552551317.db2.gz	IFLPJWSIUVWLQH-CYBMUJFWSA-N	1	0	373.425	1.568	20	30		FDEDRO
CC(C)C[NH2+]C1(CO)CCN(CC(=O)NCc2ccc(C#N)cc2)CC1	ZINC000595512017	552575890	/nfs/dbraw/zinc/57/58/90/552575890.db2.gz	OYPPVYVBTVHJJW-UHFFFAOYSA-N	1	0	358.486	1.247	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)cc1	ZINC000595527278	552579087	/nfs/dbraw/zinc/57/90/87/552579087.db2.gz	PNQQAFRGSPFHMM-XFKSJGNHSA-N	1	0	360.454	1.354	20	30		FDEDRO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@@H](CO)C2CCC2)CC1	ZINC000595616996	552593280	/nfs/dbraw/zinc/59/32/80/552593280.db2.gz	PXVIAMPGFZCZGN-HOTGVXAUSA-N	1	0	362.499	1.208	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1	ZINC000595723121	552606596	/nfs/dbraw/zinc/60/65/96/552606596.db2.gz	MZJHXOIUVWFEDO-IQUTYRLHSA-N	1	0	363.458	1.227	20	30		FDEDRO
CCOCC[C@@H](O)C[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595730571	552607765	/nfs/dbraw/zinc/60/77/65/552607765.db2.gz	CGZYYIFLKTUYIG-GOSISDBHSA-N	1	0	369.469	1.858	20	30		FDEDRO
CN(C)S(=O)(=O)CCC[NH2+]C1(c2cccc(C#N)c2)CCOCC1	ZINC000595764217	552612844	/nfs/dbraw/zinc/61/28/44/552612844.db2.gz	HWNWSILMSKDHQK-UHFFFAOYSA-N	1	0	351.472	1.435	20	30		FDEDRO
CC(C)(C)OC(=O)CNC(=O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1	ZINC000595763822	552613018	/nfs/dbraw/zinc/61/30/18/552613018.db2.gz	DKHHBIIDNCAHDS-UHFFFAOYSA-N	1	0	373.453	1.611	20	30		FDEDRO
Cn1cc(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000595863078	552625136	/nfs/dbraw/zinc/62/51/36/552625136.db2.gz	KLKIGIMMGDTEMG-HXUWFJFHSA-N	1	0	365.481	1.990	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H](N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1=O	ZINC000595862681	552625302	/nfs/dbraw/zinc/62/53/02/552625302.db2.gz	FVVLUDQRUFJZFA-HOTGVXAUSA-N	1	0	360.483	1.256	20	30		FDEDRO
CCOC(=O)CC1([NH2+]CC(=O)NCc2ccc(C#N)cc2)CCOCC1	ZINC000595874290	552626802	/nfs/dbraw/zinc/62/68/02/552626802.db2.gz	OXKBUQMMBFGUBI-UHFFFAOYSA-N	1	0	359.426	1.266	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(CCS(=O)(=O)c2cccc(C#N)c2)CCO1	ZINC000595906940	552631689	/nfs/dbraw/zinc/63/16/89/552631689.db2.gz	OSZRDQWLZQUVBW-QGZVFWFLSA-N	1	0	365.499	1.375	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN([C@@H]2CCN(c3sccc3C#N)C2=O)CCO1	ZINC000595906256	552631791	/nfs/dbraw/zinc/63/17/91/552631791.db2.gz	IEYXRHBRVRACLQ-JKSUJKDBSA-N	1	0	362.499	1.768	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)[C@H](C[NH3+])C1	ZINC000595988865	552641575	/nfs/dbraw/zinc/64/15/75/552641575.db2.gz	FEDOMCXHXLRTRM-CVEARBPZSA-N	1	0	369.469	1.051	20	30		FDEDRO
N#Cc1cnnc(N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1	ZINC000596099026	552655229	/nfs/dbraw/zinc/65/52/29/552655229.db2.gz	WYVSQIGYJVRYBL-KRWDZBQOSA-N	1	0	363.469	1.782	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1N1CCN(c2cc(C#N)cnn2)CC1	ZINC000596134450	552658722	/nfs/dbraw/zinc/65/87/22/552658722.db2.gz	JAEZLNZFSDFCEX-UHFFFAOYSA-N	1	0	352.442	1.615	20	30		FDEDRO
CCc1nc(C#N)cc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)n1	ZINC000596189856	552663057	/nfs/dbraw/zinc/66/30/57/552663057.db2.gz	MBTCBLQJMAAKDE-GOSISDBHSA-N	1	0	351.454	2.479	20	30		FDEDRO
N#Cc1cc2cccnc2nc1N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1	ZINC000596262271	552669186	/nfs/dbraw/zinc/66/91/86/552669186.db2.gz	YLCKECDPUXAGAM-INIZCTEOSA-N	1	0	350.426	1.292	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)CCO1	ZINC000596407628	552677199	/nfs/dbraw/zinc/67/71/99/552677199.db2.gz	DRGCSLVACMMOFC-SFHVURJKSA-N	1	0	360.458	1.689	20	30		FDEDRO
N#Cc1cc([N+](=O)[O-])cnc1NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1	ZINC000596424198	552677971	/nfs/dbraw/zinc/67/79/71/552677971.db2.gz	RCVUMBPWCFMCJQ-KRWDZBQOSA-N	1	0	353.382	2.040	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2Cc3c[nH]nc3CC(C)(C)C2)CC1	ZINC000596597384	552692901	/nfs/dbraw/zinc/69/29/01/552692901.db2.gz	QKUGZQVEPYCJRF-GOSISDBHSA-N	1	0	372.517	1.486	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC[C@@]4(O)C[C@H]4C3)CC2)c1	ZINC000596647964	552696724	/nfs/dbraw/zinc/69/67/24/552696724.db2.gz	DSIDJEZEOHJZOY-FXAWDEMLSA-N	1	0	354.454	1.689	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@@H]3CCC(=O)N3)CC2)c1	ZINC000596647721	552696891	/nfs/dbraw/zinc/69/68/91/552696891.db2.gz	AABHVLPEUKYKJG-KRWDZBQOSA-N	1	0	355.442	1.100	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C	ZINC000596704051	552703670	/nfs/dbraw/zinc/70/36/70/552703670.db2.gz	YWQACDQOWAUGQB-UHFFFAOYSA-N	1	0	361.446	1.441	20	30		FDEDRO
C=CCCSCCNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000596718121	552704555	/nfs/dbraw/zinc/70/45/55/552704555.db2.gz	WIKSQOJWUZEXGB-SJORKVTESA-N	1	0	354.564	1.963	20	30		FDEDRO
CCC(CC)[C@H](CNC(=O)CC1(C#N)CCOCC1)[NH+]1CCOCC1	ZINC000596782660	552709824	/nfs/dbraw/zinc/70/98/24/552709824.db2.gz	BJUPVINTTVXALF-KRWDZBQOSA-N	1	0	351.491	1.950	20	30		FDEDRO
C[C@@H]1CO[C@@H](C)CN1CCNC(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000596840576	552716662	/nfs/dbraw/zinc/71/66/62/552716662.db2.gz	SXMVJMZXYSOIOE-KGLIPLIRSA-N	1	0	369.429	1.370	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1	ZINC000597183422	552758658	/nfs/dbraw/zinc/75/86/58/552758658.db2.gz	IGWLJSIYUDNAQG-QGZVFWFLSA-N	1	0	354.454	1.698	20	30		FDEDRO
C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCc1ccc(C#N)cc1F	ZINC000597241371	552764282	/nfs/dbraw/zinc/76/42/82/552764282.db2.gz	DQUOZTVPMUGLCK-CQSZACIVSA-N	1	0	360.433	1.550	20	30		FDEDRO
C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC1(C#N)CCCCC1	ZINC000597398385	552784103	/nfs/dbraw/zinc/78/41/03/552784103.db2.gz	UXGFGBGTQFPVCF-INIZCTEOSA-N	1	0	364.490	1.146	20	30		FDEDRO
N#C[C@H]1CN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CCN1Cc1ccccc1	ZINC000597439430	552789503	/nfs/dbraw/zinc/78/95/03/552789503.db2.gz	JIMDYTPBACYLKH-ZWKOTPCHSA-N	1	0	353.470	1.548	20	30		FDEDRO
C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C1	ZINC000597574316	552806856	/nfs/dbraw/zinc/80/68/56/552806856.db2.gz	PBIFHNPLFZJUEE-UYAOXDASSA-N	1	0	356.470	1.442	20	30		FDEDRO
C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccc(Br)cc2C#N)C1	ZINC000597574601	552806891	/nfs/dbraw/zinc/80/68/91/552806891.db2.gz	QSWGAKHBGRXVKT-MRXNPFEDSA-N	1	0	366.259	1.849	20	30		FDEDRO
CC(C)C[C@H](NC(=O)c1cnccc1C#N)C(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000597691426	552822545	/nfs/dbraw/zinc/82/25/45/552822545.db2.gz	BFISGUHNOYGOPH-RDJZCZTQSA-N	1	0	357.458	1.260	20	30		FDEDRO
C[NH+](C)CC1CN(C(=O)COc2cccc(Br)c2C#N)C1	ZINC000597705272	552824358	/nfs/dbraw/zinc/82/43/58/552824358.db2.gz	DOOVLGMZZAEISZ-UHFFFAOYSA-N	1	0	352.232	1.720	20	30		FDEDRO
C[C@H](C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1)n1cnc(C#N)n1	ZINC000598195955	552875078	/nfs/dbraw/zinc/87/50/78/552875078.db2.gz	XSCJEWSRUYFBOJ-WBVHZDCISA-N	1	0	352.442	1.486	20	30		FDEDRO
CC(=O)N1CCN(c2ccccc2C[NH2+]C[C@@H](O)CC(C)(C)C#N)CC1	ZINC000598718908	552928040	/nfs/dbraw/zinc/92/80/40/552928040.db2.gz	DWSFQTZKPCRECM-SFHVURJKSA-N	1	0	358.486	1.745	20	30		FDEDRO
CN(C)S(=O)(=O)N1CC([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1	ZINC000599086642	552965850	/nfs/dbraw/zinc/96/58/50/552965850.db2.gz	QYYIVAIUUGNLJD-UHFFFAOYSA-N	1	0	362.499	1.471	20	30		FDEDRO
N#Cc1cccc(CS(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1	ZINC000599101727	552967777	/nfs/dbraw/zinc/96/77/77/552967777.db2.gz	OQDXXSVTWHFEQW-KGLIPLIRSA-N	1	0	361.389	1.847	20	30		FDEDRO
C[C@H]1CC[C@@H](NS(=O)(=O)c2cccc(Br)c2C#N)C[NH2+]1	ZINC000599106606	552968555	/nfs/dbraw/zinc/96/85/55/552968555.db2.gz	WQEKWHPYLQIOFU-VHSXEESVSA-N	1	0	358.261	1.740	20	30		FDEDRO
CCCC(=O)NC[C@@H]1CCC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000599278273	553012739	/nfs/dbraw/zinc/01/27/39/553012739.db2.gz	BJHSSEXBBLTTSS-IRXDYDNUSA-N	1	0	351.491	1.686	20	30		FDEDRO
COC(=O)CC[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)C[C@H]1CCCO1	ZINC000599294473	553018364	/nfs/dbraw/zinc/01/83/64/553018364.db2.gz	DVKHNQHGJNRUSI-JKSUJKDBSA-N	1	0	354.447	1.102	20	30		FDEDRO
C[C@]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)(C(N)=O)c1cccc(Cl)c1	ZINC000599330135	553029127	/nfs/dbraw/zinc/02/91/27/553029127.db2.gz	HONGUVGGAMMXGT-DOTOQJQBSA-N	1	0	365.861	1.701	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000599350693	553034697	/nfs/dbraw/zinc/03/46/97/553034697.db2.gz	YBLQXUFIAIEJEF-HIFRSBDPSA-N	1	0	351.472	1.642	20	30		FDEDRO
C[S@](=O)C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1ccccc1	ZINC000599357122	553035482	/nfs/dbraw/zinc/03/54/82/553035482.db2.gz	QWUCLEQIXYVYTA-UAVUOLJFSA-N	1	0	350.484	1.767	20	30		FDEDRO
N#Cc1cccc(N2CC[NH+](C[C@H](O)CC3(C#N)CCOCC3)CC2)n1	ZINC000599361616	553036510	/nfs/dbraw/zinc/03/65/10/553036510.db2.gz	UZVOWXLLJMSTJS-QGZVFWFLSA-N	1	0	355.442	1.147	20	30		FDEDRO
CS[C@@H]1CN(C[C@@H](O)COc2ccccc2C#N)C[C@@H]1[NH+]1CCCC1	ZINC000599371898	553038427	/nfs/dbraw/zinc/03/84/27/553038427.db2.gz	RNIQAQFADGVVEP-ZIFCJYIRSA-N	1	0	361.511	1.810	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1	ZINC000599386340	553042162	/nfs/dbraw/zinc/04/21/62/553042162.db2.gz	ATYUMDFIEKXXGV-INIZCTEOSA-N	1	0	371.397	1.740	20	30		FDEDRO
COC(=O)CC1([NH2+]CC#CCN2C(=O)c3ccccc3C2=O)CCCC1	ZINC000599390743	553043472	/nfs/dbraw/zinc/04/34/72/553043472.db2.gz	FQSKLWMQWFFSMF-UHFFFAOYSA-N	1	0	354.406	1.752	20	30		FDEDRO
CCOC(=O)[C@]1(COC)CCC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000599397521	553045262	/nfs/dbraw/zinc/04/52/62/553045262.db2.gz	PXJKZXPYNYLECE-VQIMIIECSA-N	1	0	368.474	1.349	20	30		FDEDRO
CCOC(=O)C[C@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000599416599	553052442	/nfs/dbraw/zinc/05/24/42/553052442.db2.gz	HHMBHOANCFBBAR-AWEZNQCLSA-N	1	0	350.390	1.855	20	30		FDEDRO
C[C@H](c1ccccc1)[C@@H]([NH2+]C[C@H](O)COc1ccccc1C#N)C(N)=O	ZINC000599430259	553055065	/nfs/dbraw/zinc/05/50/65/553055065.db2.gz	YAXJSAPIEZOUKZ-DKSSEZFCSA-N	1	0	353.422	1.545	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)CCOCC1	ZINC000599432229	553055383	/nfs/dbraw/zinc/05/53/83/553055383.db2.gz	MVCHJAPXZGIVIJ-BBWFWOEESA-N	1	0	357.454	1.339	20	30		FDEDRO
CN(C)S(=O)(=O)CCC[NH2+]C1(c2ccc(C#N)cc2)CCOCC1	ZINC000599632193	553108348	/nfs/dbraw/zinc/10/83/48/553108348.db2.gz	TXQWZSHXKSYSIL-UHFFFAOYSA-N	1	0	351.472	1.435	20	30		FDEDRO
N#Cc1ccc(C2([NH2+]CC(=O)NC(=O)NC3CCCC3)CCOCC2)cc1	ZINC000599634144	553108928	/nfs/dbraw/zinc/10/89/28/553108928.db2.gz	SFIULAHSMGZPCS-UHFFFAOYSA-N	1	0	370.453	1.922	20	30		FDEDRO
C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C[NH2+]1	ZINC000599895177	553169798	/nfs/dbraw/zinc/16/97/98/553169798.db2.gz	CWPNOMFPFHPMLB-SKDRFNHKSA-N	1	0	370.331	1.652	20	30		FDEDRO
C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C[NH2+]1	ZINC000599895038	553169855	/nfs/dbraw/zinc/16/98/55/553169855.db2.gz	BQTNPCJDWAIOJG-SKDRFNHKSA-N	1	0	365.231	1.516	20	30		FDEDRO
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1	ZINC000599900725	553171315	/nfs/dbraw/zinc/17/13/15/553171315.db2.gz	ZEOBIGVLYXLJKK-CHWSQXEVSA-N	1	0	362.455	1.124	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1C#N	ZINC000599900437	553171332	/nfs/dbraw/zinc/17/13/32/553171332.db2.gz	PZRSZRJGIZSKFC-YPMHNXCESA-N	1	0	368.359	1.791	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1	ZINC000599901018	553171554	/nfs/dbraw/zinc/17/15/54/553171554.db2.gz	XCERRMFTDDSPCW-QWHCGFSZSA-N	1	0	368.359	1.791	20	30		FDEDRO
COCC1(CNC(=O)N2CCc3c(CC#N)cccc3C2)CC[NH2+]CC1	ZINC000599928075	553175218	/nfs/dbraw/zinc/17/52/18/553175218.db2.gz	BKGZDFLRKADBBF-UHFFFAOYSA-N	1	0	356.470	1.837	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1	ZINC000599930005	553175744	/nfs/dbraw/zinc/17/57/44/553175744.db2.gz	YEURWIRVDTVFES-HNNXBMFYSA-N	1	0	370.457	1.540	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1	ZINC000600574640	553285656	/nfs/dbraw/zinc/28/56/56/553285656.db2.gz	ZLKWAEDWMRVEFF-MRXNPFEDSA-N	1	0	363.483	1.460	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]CCN2CCN(c3ccccc3)CC2)CCOCC1	ZINC000600716491	553306268	/nfs/dbraw/zinc/30/62/68/553306268.db2.gz	GNYGASYIWGGJKO-HXUWFJFHSA-N	1	0	372.513	1.470	20	30		FDEDRO
CCC(CC)[C@@H](C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)N1CCOCC1	ZINC000600719932	553306765	/nfs/dbraw/zinc/30/67/65/553306765.db2.gz	VNTZBANPHVFKCO-RTBURBONSA-N	1	0	367.534	1.784	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]CC(=O)N1CCc2ccccc2C1	ZINC000600723024	553307173	/nfs/dbraw/zinc/30/71/73/553307173.db2.gz	LWBVUUXFQLQFHO-LJQANCHMSA-N	1	0	365.433	1.472	20	30		FDEDRO
Cc1ccc(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)c(N2CCOCC2)c1	ZINC000600730291	553308487	/nfs/dbraw/zinc/30/84/87/553308487.db2.gz	LDPLDJUBOKSIDC-IBGZPJMESA-N	1	0	373.497	1.993	20	30		FDEDRO
CCc1cc(N2CCC([NH2+]C[C@@H](O)CC3(C#N)CCOCC3)CC2)ncn1	ZINC000600730657	553308551	/nfs/dbraw/zinc/30/85/51/553308551.db2.gz	RDTQEIXCMQQUGE-SFHVURJKSA-N	1	0	373.501	1.669	20	30		FDEDRO
CCS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)s1	ZINC000600734177	553308886	/nfs/dbraw/zinc/30/88/86/553308886.db2.gz	FSDGWOGDZYEKPZ-CYBMUJFWSA-N	1	0	372.512	1.703	20	30		FDEDRO
CS(=O)(=O)Cc1ccccc1C[NH2+]C[C@H](O)COc1ccccc1C#N	ZINC000600731421	553308989	/nfs/dbraw/zinc/30/89/89/553308989.db2.gz	XCKQRPPHRHWASQ-SFHVURJKSA-N	1	0	374.462	1.632	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]Cc1cccc(N2CCOCC2)c1	ZINC000600737531	553309202	/nfs/dbraw/zinc/30/92/02/553309202.db2.gz	DTAJGZAECFKVOZ-HXUWFJFHSA-N	1	0	367.449	1.924	20	30		FDEDRO
COC[C@]1(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)OCCc2ccccc21	ZINC000600741827	553309862	/nfs/dbraw/zinc/30/98/62/553309862.db2.gz	QNNYTXITYIWVTM-RXVVDRJESA-N	1	0	374.481	1.762	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H]1CN(c2ccc(Cl)cc2)CCO1	ZINC000600756494	553311865	/nfs/dbraw/zinc/31/18/65/553311865.db2.gz	QFXWQNVMERGZJB-ZWKOTPCHSA-N	1	0	366.893	1.341	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)C3(C#N)CC4(CC4)C3)cn2)CC1	ZINC000600999544	553337788	/nfs/dbraw/zinc/33/77/88/553337788.db2.gz	ZMJQTCNSOBCXTK-UHFFFAOYSA-N	1	0	353.470	1.924	20	30		FDEDRO
COc1ccccc1-c1nnc(CC(=O)N(CCC#N)CCC[NH+](C)C)o1	ZINC000601015536	553339730	/nfs/dbraw/zinc/33/97/30/553339730.db2.gz	NSEBIFDUWHKMNH-UHFFFAOYSA-N	1	0	371.441	1.982	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3ccccc3CC#N)CC2)C1	ZINC000601347349	553381731	/nfs/dbraw/zinc/38/17/31/553381731.db2.gz	IUJWZMZBXULFRW-KRWDZBQOSA-N	1	0	362.499	1.153	20	30		FDEDRO
Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCOC2(CC[NH+](C)CC2)C1	ZINC000601453982	553409995	/nfs/dbraw/zinc/40/99/95/553409995.db2.gz	ZJGCXOVQKSWLHD-UHFFFAOYSA-N	1	0	367.446	1.491	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCN(CCC#N)CC1	ZINC000601633097	553448781	/nfs/dbraw/zinc/44/87/81/553448781.db2.gz	PEGSXCNVJPDYMZ-AZUAARDMSA-N	1	0	369.513	1.995	20	30		FDEDRO
CC(=O)N1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000601659379	553454572	/nfs/dbraw/zinc/45/45/72/553454572.db2.gz	NNIXFIQQNNDMLO-LJQANCHMSA-N	1	0	354.454	1.650	20	30		FDEDRO
COC(=O)c1cc(-c2ccc(C#N)cc2)n(CCC[NH+]2CCOCC2)n1	ZINC000601944126	553495431	/nfs/dbraw/zinc/49/54/31/553495431.db2.gz	KGWAYPTTZKSDDN-UHFFFAOYSA-N	1	0	354.410	1.931	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@H](n2cncn2)C(F)(F)F)cc1	ZINC000601969013	553496924	/nfs/dbraw/zinc/49/69/24/553496924.db2.gz	QWXBINXGFAZZGR-HIFRSBDPSA-N	1	0	369.347	1.477	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](n1cncn1)C(F)(F)F	ZINC000601968036	553497139	/nfs/dbraw/zinc/49/71/39/553497139.db2.gz	LCEMMWGHWLUJGW-GXTWGEPZSA-N	1	0	355.320	1.283	20	30		FDEDRO
CN1CCCC[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1=O	ZINC000602071761	553513275	/nfs/dbraw/zinc/51/32/75/553513275.db2.gz	KEFBJKSHSCIYDH-SFHVURJKSA-N	1	0	356.470	1.707	20	30		FDEDRO
CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCN(CCC#N)CC3)cc2)CC1	ZINC000602209020	553540458	/nfs/dbraw/zinc/54/04/58/553540458.db2.gz	GFANDUHJMHCADD-UHFFFAOYSA-N	1	0	369.513	1.888	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(C#N)cc1	ZINC000602230243	553543556	/nfs/dbraw/zinc/54/35/56/553543556.db2.gz	LIWVRTBNSDFEFV-KSSFIOAISA-N	1	0	354.454	1.869	20	30		FDEDRO
Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NCC(C)(C)CC#N)C2)cc1	ZINC000602280738	553555795	/nfs/dbraw/zinc/55/57/95/553555795.db2.gz	ZCWJXUMTQFGKPM-KRWDZBQOSA-N	1	0	356.470	1.742	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC(C)(C)CC#N	ZINC000602280735	553555851	/nfs/dbraw/zinc/55/58/51/553555851.db2.gz	ZCUBCZCYWJPURK-FUHWJXTLSA-N	1	0	370.497	1.927	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O	ZINC000602544116	553603249	/nfs/dbraw/zinc/60/32/49/553603249.db2.gz	HSNNVYIUCONOEO-CHWSQXEVSA-N	1	0	352.797	1.722	20	30		FDEDRO
C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(CCN2CCOCC2)C1	ZINC000602545779	553603823	/nfs/dbraw/zinc/60/38/23/553603823.db2.gz	PUCLIMGTAGIZFI-ZWKOTPCHSA-N	1	0	350.507	1.081	20	30		FDEDRO
COc1ccc(CNC(=O)CC[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)c(OC)c1	ZINC000602848746	553650854	/nfs/dbraw/zinc/65/08/54/553650854.db2.gz	IGOGLNLBZSQAHP-HOTGVXAUSA-N	1	0	374.485	1.628	20	30		FDEDRO
C[C@@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H](C)N1CC#N	ZINC000602865018	553654527	/nfs/dbraw/zinc/65/45/27/553654527.db2.gz	SAPJPCXNZSLOHX-OKILXGFUSA-N	1	0	357.414	1.402	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[N@H+](C)[C@@H](C(C)(C)C)C2)CC1	ZINC000602874420	553656596	/nfs/dbraw/zinc/65/65/96/553656596.db2.gz	PKWUIAZYTMHXDS-ZWKOTPCHSA-N	1	0	363.550	1.341	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)CN1CCC(c2cc(C(=O)OC)on2)CC1	ZINC000603000980	553689530	/nfs/dbraw/zinc/68/95/30/553689530.db2.gz	WDBKTABCEVGYIF-CYBMUJFWSA-N	1	0	362.430	1.649	20	30		FDEDRO
C[NH2+][C@H](C)c1cn(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)nn1	ZINC000603192331	553728149	/nfs/dbraw/zinc/72/81/49/553728149.db2.gz	YCSIVDKOFOCNNT-UKRRQHHQSA-N	1	0	373.486	1.029	20	30		FDEDRO
CC(C)C[NH+]1CCC(Nc2ccc(C#N)cc2CS(N)(=O)=O)CC1	ZINC000603271942	553749495	/nfs/dbraw/zinc/74/94/95/553749495.db2.gz	QAWJVXKQQQBPPW-UHFFFAOYSA-N	1	0	350.488	1.879	20	30		FDEDRO
COCc1cc(C#N)ccc1N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000603424415	553785364	/nfs/dbraw/zinc/78/53/64/553785364.db2.gz	VCGCGWIWBPUJLI-LJQANCHMSA-N	1	0	358.486	1.913	20	30		FDEDRO
CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)N(C)CCC#N	ZINC000603556271	553800660	/nfs/dbraw/zinc/80/06/60/553800660.db2.gz	BGPYOIGFLIYIBA-UHFFFAOYSA-N	1	0	358.533	1.982	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[NH+](C)C	ZINC000604141882	553845363	/nfs/dbraw/zinc/84/53/63/553845363.db2.gz	XNSANFBNZAKMFA-CYBMUJFWSA-N	1	0	367.409	1.750	20	30		FDEDRO
Cc1cccc(C)c1OC[C@H](O)C[NH2+]Cc1cnc2c(C#N)cnn2c1	ZINC000604434804	553877326	/nfs/dbraw/zinc/87/73/26/553877326.db2.gz	OWOQUWYORULBJF-QGZVFWFLSA-N	1	0	351.410	1.747	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CNc2ccc(C#N)cc2)CC1	ZINC000604539127	553886321	/nfs/dbraw/zinc/88/63/21/553886321.db2.gz	NSMMLZQZDNJWEA-HDICACEKSA-N	1	0	369.513	1.987	20	30		FDEDRO
CS(=O)(=O)N1CCC[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1	ZINC000608861143	554325494	/nfs/dbraw/zinc/32/54/94/554325494.db2.gz	WYQXXCCDMZOQSX-MRXNPFEDSA-N	1	0	351.472	1.883	20	30		FDEDRO
N#Cc1ccc(CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c(F)c1	ZINC000609240367	554351640	/nfs/dbraw/zinc/35/16/40/554351640.db2.gz	CYFVUFCKUHKWJR-HNNXBMFYSA-N	1	0	361.421	1.084	20	30		FDEDRO
CN(CCCN1CC[NH+](C)CC1)C(=O)CSCc1ccc(C#N)cc1	ZINC000609492575	554383642	/nfs/dbraw/zinc/38/36/42/554383642.db2.gz	ZGNXJQBHBHORFB-UHFFFAOYSA-N	1	0	360.527	1.887	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CCn2cc(Br)ccc2=O)CC1	ZINC000609584148	554397459	/nfs/dbraw/zinc/39/74/59/554397459.db2.gz	BWEMJKWNOLQLBI-UHFFFAOYSA-N	1	0	367.247	1.105	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)cc2F)CC1	ZINC000610085539	554458434	/nfs/dbraw/zinc/45/84/34/554458434.db2.gz	AUKWCOUOZFSYGY-UHFFFAOYSA-N	1	0	369.462	1.865	20	30		FDEDRO
C[C@@H](NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1cccc(C#N)c1	ZINC000610403603	554500359	/nfs/dbraw/zinc/50/03/59/554500359.db2.gz	SDNRIBYDIBZNGZ-VQIMIIECSA-N	1	0	371.485	1.325	20	30		FDEDRO
CC[NH+]1CCN(CC(=O)N[C@@H](C#N)c2ccccc2Br)CC1	ZINC000610429106	554504687	/nfs/dbraw/zinc/50/46/87/554504687.db2.gz	SMRKCAFOONOJSR-HNNXBMFYSA-N	1	0	365.275	1.767	20	30		FDEDRO
CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000610722180	554554374	/nfs/dbraw/zinc/55/43/74/554554374.db2.gz	WAACYVSZSUXLJX-QGZVFWFLSA-N	1	0	356.474	1.659	20	30		FDEDRO
Cc1nnc([C@H]2CCC[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)[nH]1	ZINC000610764355	554559608	/nfs/dbraw/zinc/55/96/08/554559608.db2.gz	NYSFMWCYKJACNO-DLBZAZTESA-N	1	0	355.442	1.799	20	30		FDEDRO
COc1cc([C@@H](C)[NH2+]C2CCN(CC#N)CC2)ccc1S(C)(=O)=O	ZINC000610813210	554565483	/nfs/dbraw/zinc/56/54/83/554565483.db2.gz	ABRUKWQMSLSEPP-CYBMUJFWSA-N	1	0	351.472	1.737	20	30		FDEDRO
C[C@H]([NH2+]C1CCN(CC#N)CC1)c1cccc(N2CCCS2(=O)=O)c1	ZINC000610812725	554565577	/nfs/dbraw/zinc/56/55/77/554565577.db2.gz	LDWRPDXSNHWDRE-HNNXBMFYSA-N	1	0	362.499	1.865	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1	ZINC000610902744	554578659	/nfs/dbraw/zinc/57/86/59/554578659.db2.gz	RZBDTYYHLTVEID-KRWDZBQOSA-N	1	0	370.453	1.519	20	30		FDEDRO
C[C@@H]1COCCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000611431154	554632782	/nfs/dbraw/zinc/63/27/82/554632782.db2.gz	VQCXVKSENQQDGE-VQIMIIECSA-N	1	0	374.460	1.645	20	30		FDEDRO
C[C@H]1COCCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000611430898	554632855	/nfs/dbraw/zinc/63/28/55/554632855.db2.gz	FRQBKEVACAYBPM-JKSUJKDBSA-N	1	0	362.499	1.568	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)N1CCN(c2cnccn2)CC1)c1cccc(C#N)c1	ZINC000611438935	554633424	/nfs/dbraw/zinc/63/34/24/554633424.db2.gz	UMKBGKBDTXBWQH-HNNXBMFYSA-N	1	0	350.426	1.348	20	30		FDEDRO
C[C@H](CN1CCOCC1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000611505000	554638901	/nfs/dbraw/zinc/63/89/01/554638901.db2.gz	CXJRNPSAPODVMZ-GOSISDBHSA-N	1	0	370.497	1.629	20	30		FDEDRO
CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]C2CCN(CC#N)CC2)CC1	ZINC000611967414	554710467	/nfs/dbraw/zinc/71/04/67/554710467.db2.gz	JHOMTLOYKOSGAE-OAHLLOKOSA-N	1	0	364.490	1.144	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1	ZINC000612591205	554811274	/nfs/dbraw/zinc/81/12/74/554811274.db2.gz	HYIUAOAKTBZTBA-BPQIPLTHSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000612598958	554812993	/nfs/dbraw/zinc/81/29/93/554812993.db2.gz	MIVSNVNZRHEMGC-QGZVFWFLSA-N	1	0	351.491	1.561	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1	ZINC000612691462	554825785	/nfs/dbraw/zinc/82/57/85/554825785.db2.gz	QNFUFHOHHSASDU-LJQANCHMSA-N	1	0	364.534	1.474	20	30		FDEDRO
CC[N@H+]1C[C@H](NC(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)[C@@H](C)C1	ZINC000613164478	554895050	/nfs/dbraw/zinc/89/50/50/554895050.db2.gz	PQOGHEGGNJCOKU-WFASDCNBSA-N	1	0	353.430	1.909	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO	ZINC000613385302	554919853	/nfs/dbraw/zinc/91/98/53/554919853.db2.gz	PNXFKVYWPUYFDB-VQTJNVASSA-N	1	0	373.497	1.730	20	30		FDEDRO
COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(C[C@@H](C)C#N)C1CC1	ZINC000615380224	555197177	/nfs/dbraw/zinc/19/71/77/555197177.db2.gz	BHBYEIJCOPEWGR-ZDUSSCGKSA-N	1	0	358.442	1.846	20	30		FDEDRO
C=C[C@@](C)(O)C(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1	ZINC000615952942	555258965	/nfs/dbraw/zinc/25/89/65/555258965.db2.gz	ITTIQIZJEFYFHV-HXUWFJFHSA-N	1	0	373.497	1.411	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1	ZINC000616081126	555268174	/nfs/dbraw/zinc/26/81/74/555268174.db2.gz	FVLBLODNEKNWTK-KRWDZBQOSA-N	1	0	350.488	1.893	20	30		FDEDRO
CC[C@@]1([NH2+]CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCOC1	ZINC000616866123	555351218	/nfs/dbraw/zinc/35/12/18/555351218.db2.gz	OSDLKIUUASTMTB-UYAOXDASSA-N	1	0	374.460	1.693	20	30		FDEDRO
CC[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(C#N)cc1	ZINC000618568224	555651834	/nfs/dbraw/zinc/65/18/34/555651834.db2.gz	UNEZCLAARHKFFO-QGZVFWFLSA-N	1	0	350.488	1.176	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@](O)(C[NH+](C)C)C1	ZINC000618924011	555696578	/nfs/dbraw/zinc/69/65/78/555696578.db2.gz	OIJOQHBICPUCEK-LJQANCHMSA-N	1	0	360.458	1.123	20	30		FDEDRO
Cn1cnnc1[C@@H]1CN(C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1	ZINC000619098719	555725236	/nfs/dbraw/zinc/72/52/36/555725236.db2.gz	XAJOYKOKLVFIMX-IBGZPJMESA-N	1	0	366.469	1.725	20	30		FDEDRO
C[N@@H+]1CCCN(CCCNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1	ZINC000619374660	555769394	/nfs/dbraw/zinc/76/93/94/555769394.db2.gz	OKUFFZHQKGJIMY-IBGZPJMESA-N	1	0	353.470	1.384	20	30		FDEDRO
CC(C)[C@H](CNS(=O)(=O)c1ccccc1CC#N)N1CC[NH+](C)CC1	ZINC000619572657	555801539	/nfs/dbraw/zinc/80/15/39/555801539.db2.gz	OISKFYDQEQKTDV-KRWDZBQOSA-N	1	0	364.515	1.303	20	30		FDEDRO
CC[C@H]1C[N@H+](C)CCCN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000619579008	555802790	/nfs/dbraw/zinc/80/27/90/555802790.db2.gz	YOVZIBZQXHZRAS-INIZCTEOSA-N	1	0	352.442	1.882	20	30		FDEDRO
C[C@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)n1cnc(C#N)n1	ZINC000619599710	555806404	/nfs/dbraw/zinc/80/64/04/555806404.db2.gz	YXACMESKFLPJBV-WBVHZDCISA-N	1	0	368.441	1.118	20	30		FDEDRO
N#CC1(CCC[N@H+]2CCCN(CC(=O)N3CCCC3)CC2)CCOCC1	ZINC000619620095	555810537	/nfs/dbraw/zinc/81/05/37/555810537.db2.gz	OXLVCDNMDZSXTG-UHFFFAOYSA-N	1	0	362.518	1.717	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1	ZINC000619723935	555826732	/nfs/dbraw/zinc/82/67/32/555826732.db2.gz	YRJUSOJXCVOTDQ-VQTJNVASSA-N	1	0	373.497	1.537	20	30		FDEDRO
O=C(NCC#Cc1ccccc1)NC[C@@H]1CN(Cc2ccncc2)CCO1	ZINC000623403254	556415269	/nfs/dbraw/zinc/41/52/69/556415269.db2.gz	PCFSHTMDJWLDLD-HXUWFJFHSA-N	1	0	364.449	1.633	20	30		FDEDRO
CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000625530686	556842524	/nfs/dbraw/zinc/84/25/24/556842524.db2.gz	SACYOJZPKCDVAQ-FCEWJHQRSA-N	1	0	370.449	1.442	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)N1CCC(CC)([NH+]2CCOCC2)CC1	ZINC000625778038	556924215	/nfs/dbraw/zinc/92/42/15/556924215.db2.gz	JTBMAOAYRPNNCL-UHFFFAOYSA-N	1	0	365.518	1.808	20	30		FDEDRO
C=CCn1c(N2CC[N@H+](C)[C@@H](C(C)C)C2)nnc1[C@]1(OCC)CCOC1	ZINC000634340388	558452963	/nfs/dbraw/zinc/45/29/63/558452963.db2.gz	MKLNZSBICBNRGL-APWZRJJASA-N	1	0	363.506	1.893	20	30		FDEDRO
C=C[C@H](O)C(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1	ZINC000669167916	568181790	/nfs/dbraw/zinc/18/17/90/568181790.db2.gz	DVVPIBLEISHTGW-HNNXBMFYSA-N	1	0	357.376	1.620	20	30		FDEDRO
COc1ccccc1CNC(=O)[C@H](C)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000609486141	568346248	/nfs/dbraw/zinc/34/62/48/568346248.db2.gz	DMUKDNYZJCSNBF-WMZOPIPTSA-N	1	0	358.486	1.866	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@@H](C)Oc1ccc(-c2nn[nH]n2)cc1	ZINC000821182556	607322572	/nfs/dbraw/zinc/32/25/72/607322572.db2.gz	WPHBOWIAEIAZHR-HUUCEWRRSA-N	1	0	371.441	1.911	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@H](C)[C@@H](c1ccccc1)N1CCOCC1	ZINC000272800505	674475745	/nfs/dbraw/zinc/47/57/45/674475745.db2.gz	BJYJMYGIGMVQMM-AEFFLSMTSA-N	1	0	352.500	1.639	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)NCc1cccc(C[NH+](CC)CC)c1	ZINC000272804227	674476126	/nfs/dbraw/zinc/47/61/26/674476126.db2.gz	FHXJTFUEXQRPNC-UHFFFAOYSA-N	1	0	367.515	1.928	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@H](CC)c1ccccc1OCC(=O)N(C)C	ZINC000272923185	674488656	/nfs/dbraw/zinc/48/86/56/674488656.db2.gz	YJAFYEUSPLJHSU-MRXNPFEDSA-N	1	0	368.499	1.795	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)Nc1ccc(C)cc1OCC[NH+](C)C	ZINC000272985783	674494991	/nfs/dbraw/zinc/49/49/91/674494991.db2.gz	PSYVXNAPPTUZNV-UHFFFAOYSA-N	1	0	369.487	1.658	20	30		FDEDRO
N#Cc1ccc(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cn1	ZINC000822830251	606032018	/nfs/dbraw/zinc/03/20/18/606032018.db2.gz	ZGMAZJCFKCCGTK-UHFFFAOYSA-N	1	0	360.425	1.846	20	30		FDEDRO
C=C[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000819729792	606798804	/nfs/dbraw/zinc/79/88/04/606798804.db2.gz	MUBZOEWHTVKCRR-AWEZNQCLSA-N	1	0	355.446	1.659	20	30		FDEDRO
[NH2+]=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC1CCCCC1	ZINC000273542092	674547326	/nfs/dbraw/zinc/54/73/26/674547326.db2.gz	XGKTUNRHCQCAHA-UHFFFAOYSA-N	1	0	354.432	1.606	20	30		FDEDRO
C#CCCCCNC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1	ZINC000819692680	606988064	/nfs/dbraw/zinc/98/80/64/606988064.db2.gz	GOCXIYLJBDWRSD-UHFFFAOYSA-N	1	0	369.473	1.743	20	30		FDEDRO
COc1ccc(-c2nn[nH]n2)cc1C[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000826181588	608034529	/nfs/dbraw/zinc/03/45/29/608034529.db2.gz	FWCIXVWHQBIIQB-UHFFFAOYSA-N	1	0	367.417	1.117	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1ccc(C#N)cc1	ZINC000824564893	608463583	/nfs/dbraw/zinc/46/35/83/608463583.db2.gz	XVJQTEOVGGSXID-CYBMUJFWSA-N	1	0	361.409	1.705	20	30		FDEDRO
C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1cccc(-c2nn[nH]n2)c1	ZINC000824570999	608489694	/nfs/dbraw/zinc/48/96/94/608489694.db2.gz	PDDWBIHVCAJSKV-GUYCJALGSA-N	1	0	364.409	1.829	20	30		FDEDRO
C=CC[C@H](CO)C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1	ZINC000823888665	609344329	/nfs/dbraw/zinc/34/43/29/609344329.db2.gz	SUTQIMRWYKOSJG-ZDUSSCGKSA-N	1	0	353.430	1.541	20	30		FDEDRO
C#CC[N@@H+](CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1	ZINC000274122172	674584889	/nfs/dbraw/zinc/58/48/89/674584889.db2.gz	GXAHMWHLBWSWGL-UHFFFAOYSA-N	1	0	364.467	1.184	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2ccc(SC)cc2)CC1	ZINC000286737878	675902160	/nfs/dbraw/zinc/90/21/60/675902160.db2.gz	RZCAHSAQUFNYBV-UHFFFAOYSA-N	1	0	361.511	1.834	20	30		FDEDRO
C[NH+]=C(NCC1(SC)CCOCC1)N1CCN(c2ccccn2)CC1	ZINC000075025651	671416063	/nfs/dbraw/zinc/41/60/63/671416063.db2.gz	AWLDEAGQCHJWER-UHFFFAOYSA-N	1	0	363.531	1.691	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)Cc2scnc2C)CC1	ZINC000286808698	675906757	/nfs/dbraw/zinc/90/67/57/675906757.db2.gz	VKONTLPZHBKOBN-UHFFFAOYSA-N	1	0	350.488	1.567	20	30		FDEDRO
CC[NH+]=C(NCC1(SC)CCOCC1)N1CCN(C2CC2)C(=O)C1	ZINC000086770232	671484331	/nfs/dbraw/zinc/48/43/31/671484331.db2.gz	ZGUMQVWLQQWEAF-UHFFFAOYSA-N	1	0	354.520	1.171	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1	ZINC000287078717	675912259	/nfs/dbraw/zinc/91/22/59/675912259.db2.gz	IGGIIAPTOPKBGA-OCCSQVGLSA-N	1	0	350.444	1.588	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H](C[NH+](C)C)C2)ccc1F	ZINC000114400556	671649384	/nfs/dbraw/zinc/64/93/84/671649384.db2.gz	FWIFOLGQTDYSJC-CYBMUJFWSA-N	1	0	369.462	1.314	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)c1coc(S(=O)(=O)N(C)C)c1	ZINC000119038462	671669722	/nfs/dbraw/zinc/66/97/22/671669722.db2.gz	ZNFXSIUDOPEFCC-ZDUSSCGKSA-N	1	0	356.444	1.420	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH+]2CCC(NS(C)(=O)=O)CC2)cc1	ZINC000123494298	671726952	/nfs/dbraw/zinc/72/69/52/671726952.db2.gz	QRFKQBNYHKKQDJ-UHFFFAOYSA-N	1	0	350.488	1.550	20	30		FDEDRO
COc1cccc(NC(=[NH2+])NCCNS(=O)(=O)c2ccc(C)s2)c1	ZINC000151420925	671864630	/nfs/dbraw/zinc/86/46/30/671864630.db2.gz	PCQRLNZAEIHAOJ-UHFFFAOYSA-N	1	0	368.484	1.770	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C[C@H]2CCC[NH2+]2)c1	ZINC000152239948	671879311	/nfs/dbraw/zinc/87/93/11/671879311.db2.gz	SYNHTSKLOIRYRM-MMOSJZJFSA-N	1	0	364.471	1.580	20	30		FDEDRO
CC(C)[NH2+]CCC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1	ZINC000154604190	671925349	/nfs/dbraw/zinc/92/53/49/671925349.db2.gz	BYAUYVRFWCTGSZ-SILNSSARSA-N	1	0	366.487	1.826	20	30		FDEDRO
CC[NH+]=C(NCCOc1cccc(C)c1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158571155	671981125	/nfs/dbraw/zinc/98/11/25/671981125.db2.gz	RLHPASLLBHNINR-UHFFFAOYSA-N	1	0	367.515	1.848	20	30		FDEDRO
CC[NH+]=C(NCc1ncc(C(C)(C)C)o1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158619080	671981478	/nfs/dbraw/zinc/98/14/78/671981478.db2.gz	CRLAQVGALNFJTM-UHFFFAOYSA-N	1	0	370.519	1.947	20	30		FDEDRO
CC[N@H+](CCNC(=O)C(=O)Nc1ccc(F)cc1OCC#N)C(C)C	ZINC000163826183	672026189	/nfs/dbraw/zinc/02/61/89/672026189.db2.gz	PLOUCUVUUAEPER-UHFFFAOYSA-N	1	0	350.394	1.513	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)/C=C/c2ccc(NS(C)(=O)=O)cc2)CC1	ZINC000171720569	672057930	/nfs/dbraw/zinc/05/79/30/672057930.db2.gz	CSMUPDZIAZDURI-RMKNXTFCSA-N	1	0	363.483	1.838	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCOC3CCCC3)=[NH+]C[C@H]2C1	ZINC000177002479	672120260	/nfs/dbraw/zinc/12/02/60/672120260.db2.gz	CBLZQQAYWAFACF-AWEZNQCLSA-N	1	0	352.479	1.826	20	30		FDEDRO
CNC(=[NH2+])NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1	ZINC000195522648	672408200	/nfs/dbraw/zinc/40/82/00/672408200.db2.gz	QMSBMXZCPNRDAS-UHFFFAOYSA-N	1	0	350.419	1.338	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CC(C)(C)[NH3+])c1	ZINC000237089437	672420269	/nfs/dbraw/zinc/42/02/69/672420269.db2.gz	XJBIDSUTAKPXKS-XMHGGMMESA-N	1	0	352.460	1.565	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[N@H+](C[C@@H]1CCCO1)[C@H]1CCSC1	ZINC000245824851	672465268	/nfs/dbraw/zinc/46/52/68/672465268.db2.gz	FKZFDUJTWKWMDW-HOTGVXAUSA-N	1	0	350.488	1.629	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCC[C@@H](CO)C2)CC1	ZINC000245886939	672469821	/nfs/dbraw/zinc/46/98/21/672469821.db2.gz	PAFDZKLGPMOOPX-HZPDHXFCSA-N	1	0	362.499	1.161	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1	ZINC000245917162	672472358	/nfs/dbraw/zinc/47/23/58/672472358.db2.gz	RUKMNWPJWISLIX-GJZGRUSLSA-N	1	0	352.479	1.936	20	30		FDEDRO
C[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N1CCN(C[C@H]2CCOC2)CC1	ZINC000261616555	672636424	/nfs/dbraw/zinc/63/64/24/672636424.db2.gz	AVCZUSMOPFVIFN-AOIWGVFYSA-N	1	0	352.523	1.157	20	30		FDEDRO
CC[C@]1(C)CCN(C(NC[C@]2(N3CCOCC3)CCSC2)=[NH+]C)C1	ZINC000261685118	672650777	/nfs/dbraw/zinc/65/07/77/672650777.db2.gz	DMTYQLKWFMZUOS-QZTJIDSGSA-N	1	0	354.564	1.892	20	30		FDEDRO
CC[NH+]=C(NCc1cnn(C)c1)N[C@H]1CCN(c2ncccc2Cl)C1	ZINC000261759002	672666358	/nfs/dbraw/zinc/66/63/58/672666358.db2.gz	MTCUYQPXZOOGQQ-AWEZNQCLSA-N	1	0	361.881	1.803	20	30		FDEDRO
C[NH+]=C(NCC[S@](=O)C(C)(C)C)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000261783908	672671685	/nfs/dbraw/zinc/67/16/85/672671685.db2.gz	FPQCBBRSTAFVTI-DEOSSOPVSA-N	1	0	358.552	1.440	20	30		FDEDRO
CC[NH+]=C(NCC1CCSCC1)N1CCN(C[C@H]2CCOC2)CC1	ZINC000261784542	672672055	/nfs/dbraw/zinc/67/20/55/672672055.db2.gz	QIBNCNIAEASVIR-QGZVFWFLSA-N	1	0	354.564	1.749	20	30		FDEDRO
C[NH+]=C(NC[C@@]1(O)CCSC1)N[C@H]1CCN(c2ccccc2OC)C1	ZINC000261934219	672696711	/nfs/dbraw/zinc/69/67/11/672696711.db2.gz	CCGDDQJRIDEXNA-KSSFIOAISA-N	1	0	364.515	1.307	20	30		FDEDRO
C[NH+]=C(NCC1(CCO)CCCC1)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000261943939	672698920	/nfs/dbraw/zinc/69/89/20/672698920.db2.gz	NCNVRADMYCJLCR-UHFFFAOYSA-N	1	0	352.523	1.836	20	30		FDEDRO
C[NH+]=C(NCCN1CCSCC1)N1CC[C@H](C)[C@H](n2ccnc2)C1	ZINC000261957295	672701916	/nfs/dbraw/zinc/70/19/16/672701916.db2.gz	JDYJRUYELQVFDG-JKSUJKDBSA-N	1	0	350.536	1.390	20	30		FDEDRO
C[NH+]=C(NCc1ccc(S(C)(=O)=O)cc1)N1CC[C@@]2(CCOC2)C1	ZINC000261963039	672703253	/nfs/dbraw/zinc/70/32/53/672703253.db2.gz	KTULWGVYIBTYIV-QGZVFWFLSA-N	1	0	351.472	1.278	20	30		FDEDRO
CC[NH+]=C(NCc1cc(C)c(O)c(C)c1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261969392	672704248	/nfs/dbraw/zinc/70/42/48/672704248.db2.gz	MKOSPYZMIRSOIH-UHFFFAOYSA-N	1	0	367.515	1.984	20	30		FDEDRO
CC[NH+]=C(NCC1(O)CCC1)N[C@H]1CCN(c2ncccc2Cl)C1	ZINC000261967921	672704270	/nfs/dbraw/zinc/70/42/70/672704270.db2.gz	LYLMYBLKPNEWDS-ZDUSSCGKSA-N	1	0	351.882	1.784	20	30		FDEDRO
O=S1(=O)CCCN1CC[NH+]=C(Nc1ccccc1)N1CCCCC1	ZINC000261979119	672706162	/nfs/dbraw/zinc/70/61/62/672706162.db2.gz	HFEKTQDSWMQQSS-UHFFFAOYSA-N	1	0	350.488	1.976	20	30		FDEDRO
C[NH+]=C(NC[C@]1(N(C)C)CCSC1)N1CC[C@H](C)[C@@H](n2ccnc2)C1	ZINC000261995933	672708365	/nfs/dbraw/zinc/70/83/65/672708365.db2.gz	SIIDIIUIRRTLTP-XYJFISCASA-N	1	0	364.563	1.779	20	30		FDEDRO
C[NH+]=C(NCc1cccc(NS(C)(=O)=O)c1)N1CC[C@]2(CCOC2)C1	ZINC000261999523	672709289	/nfs/dbraw/zinc/70/92/89/672709289.db2.gz	TZMSQNSDBAZMGA-KRWDZBQOSA-N	1	0	366.487	1.246	20	30		FDEDRO
CC[NH+]=C(NC[C@@]1(O)CCSC1)N1CC[C@H](Oc2ccccn2)C1	ZINC000262021672	672713149	/nfs/dbraw/zinc/71/31/49/672713149.db2.gz	YYGZWNYMXIGWAA-YOEHRIQHSA-N	1	0	350.488	1.368	20	30		FDEDRO
CC[C@H]1CN(C(NCC(=O)N2CCc3ccccc3C2)=[NH+]C)CCS1	ZINC000262047742	672717900	/nfs/dbraw/zinc/71/79/00/672717900.db2.gz	ZEKNNQXGKHOTAO-KRWDZBQOSA-N	1	0	360.527	1.974	20	30		FDEDRO
C[NH+]=C(NCc1ccco1)NCC1CCN(S(=O)(=O)C(F)F)CC1	ZINC000262173941	672740734	/nfs/dbraw/zinc/74/07/34/672740734.db2.gz	XTFLNDGCEHNZGX-UHFFFAOYSA-N	1	0	364.418	1.209	20	30		FDEDRO
C=CCNC(N[C@H]1CCc2ccccc2C1)=[NH+]C[C@H]1CCS(=O)(=O)C1	ZINC000262257876	672756422	/nfs/dbraw/zinc/75/64/22/672756422.db2.gz	RNBVRPPDIJUDND-QAPCUYQASA-N	1	0	361.511	1.700	20	30		FDEDRO
C[C@@H]1CCC[C@H]([NH+]=C(NC[C@H]2CCS(=O)(=O)C2)NC2CCOCC2)C1	ZINC000262375216	672778795	/nfs/dbraw/zinc/77/87/95/672778795.db2.gz	JJQMXOMJPPYZDN-INMHGKMJSA-N	1	0	371.547	1.714	20	30		FDEDRO
C=C(C)CNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CCc2ncsc2C1	ZINC000262376323	672779214	/nfs/dbraw/zinc/77/92/14/672779214.db2.gz	JNXDMBIBQOJLTL-ZDUSSCGKSA-N	1	0	368.528	1.458	20	30		FDEDRO
CCC[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N[C@@H]1CCOc2ccccc21	ZINC000262378388	672779371	/nfs/dbraw/zinc/77/93/71/672779371.db2.gz	JZBFZLPOWOROHD-GDBMZVCRSA-N	1	0	365.499	1.890	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCOC2(CCCCC2)C1	ZINC000262382772	672780600	/nfs/dbraw/zinc/78/06/00/672780600.db2.gz	KTNGXUNBWGXNQR-LSDHHAIUSA-N	1	0	357.520	1.468	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(NCc2cccs2)=[NH+]C2CCOCC2)C1	ZINC000262432711	672788592	/nfs/dbraw/zinc/78/85/92/672788592.db2.gz	SRJMIDMVAFYGMF-CYBMUJFWSA-N	1	0	371.528	1.397	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCOc2ccccc21	ZINC000262452282	672792184	/nfs/dbraw/zinc/79/21/84/672792184.db2.gz	WFLISVMXUWOFQY-HOCLYGCPSA-N	1	0	365.499	1.889	20	30		FDEDRO
CC[C@H](C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCC2(C1)CCOCC2	ZINC000262457495	672793113	/nfs/dbraw/zinc/79/31/13/672793113.db2.gz	WXXAPUDUHSWPFU-HOTGVXAUSA-N	1	0	371.547	1.668	20	30		FDEDRO
Cc1ccc(Br)cc1NC(=O)CNC(=[NH2+])N1CCO[C@H](C)C1	ZINC000262491113	672798283	/nfs/dbraw/zinc/79/82/83/672798283.db2.gz	UZNJPZLDAPYQRJ-LLVKDONJSA-N	1	0	369.263	1.731	20	30		FDEDRO
C[NH+]=C(NC[C@H]1COCCO1)N(C)Cc1ccc(Br)cc1	ZINC000262524496	672803111	/nfs/dbraw/zinc/80/31/11/672803111.db2.gz	GDLGYXKFQUWKDE-AWEZNQCLSA-N	1	0	356.264	1.872	20	30		FDEDRO
CC[NH+]=C(NCCN1CCSCC1)N1CCC[C@@]2(CCCOC2)C1	ZINC000262767344	672845817	/nfs/dbraw/zinc/84/58/17/672845817.db2.gz	GMCOLLPBRJTMPN-GOSISDBHSA-N	1	0	354.564	1.893	20	30		FDEDRO
CC[NH+]=C(NCC1(O)CCCCC1)NC1CCN(C(=O)C2CC2)CC1	ZINC000262771676	672846922	/nfs/dbraw/zinc/84/69/22/672846922.db2.gz	HVHGERUVNCBQBC-UHFFFAOYSA-N	1	0	350.507	1.638	20	30		FDEDRO
C[NH+]=C(NC[C@H](O)C1CCCCC1)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1	ZINC000262774693	672847337	/nfs/dbraw/zinc/84/73/37/672847337.db2.gz	IZRLTMKLLMDDGI-ZACQAIPSSA-N	1	0	352.523	1.740	20	30		FDEDRO
C[NH+]=C(NCCN1CCSCC1)N1CCN(Cc2cccs2)CC1	ZINC000262781906	672848724	/nfs/dbraw/zinc/84/87/24/672848724.db2.gz	LJNBTUCZFAEPDN-UHFFFAOYSA-N	1	0	367.588	1.490	20	30		FDEDRO
COCCNC(=[NH2+])NCc1ccc(Cl)cc1I	ZINC000262789276	672849863	/nfs/dbraw/zinc/84/98/63/672849863.db2.gz	NPJCTZMLRSHVCY-UHFFFAOYSA-N	1	0	367.618	1.995	20	30		FDEDRO
CC[NH+]=C(NCC1(O)CCCC1)N1CCS(=O)(=O)C2(CCCCC2)C1	ZINC000262790042	672850263	/nfs/dbraw/zinc/85/02/63/672850263.db2.gz	NRKOJBXGCVQEHU-UHFFFAOYSA-N	1	0	371.547	1.690	20	30		FDEDRO
C[C@H]1CCCN(C(=[NH2+])NCc2nn(C)cc2I)C1	ZINC000263153917	672864403	/nfs/dbraw/zinc/86/44/03/672864403.db2.gz	PTTDKKWTCHDCLJ-VIFPVBQESA-N	1	0	361.231	1.571	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NCCNC(=O)c1ccc(Br)cc1	ZINC000264120783	672901999	/nfs/dbraw/zinc/90/19/99/672901999.db2.gz	USTMWOJSDCSXRI-SNVBAGLBSA-N	1	0	357.252	1.118	20	30		FDEDRO
CCN(CCCNC(=[NH2+])Nc1ccc(OC)c(OC)c1)S(C)(=O)=O	ZINC000264132791	672902325	/nfs/dbraw/zinc/90/23/25/672902325.db2.gz	YOXUGJJPWANLFU-UHFFFAOYSA-N	1	0	358.464	1.102	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1	ZINC000264382424	672910882	/nfs/dbraw/zinc/91/08/82/672910882.db2.gz	LMVFRCUORVOJPE-UHFFFAOYSA-N	1	0	353.444	1.144	20	30		FDEDRO
C[C@@H]1CN(CC(C)(C)O)CCN1S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000289241682	676109455	/nfs/dbraw/zinc/10/94/55/676109455.db2.gz	STUUSYPJYLCYNM-CQSZACIVSA-N	1	0	351.472	1.165	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C)o1	ZINC000289333452	676121761	/nfs/dbraw/zinc/12/17/61/676121761.db2.gz	DCIHOGYWFZGZCV-UHFFFAOYSA-N	1	0	351.447	1.187	20	30		FDEDRO
CC[NH+](CC)CCN(CCOC)CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000267374156	673297550	/nfs/dbraw/zinc/29/75/50/673297550.db2.gz	KYMKYBDVNIUOAF-UHFFFAOYSA-N	1	0	367.515	1.622	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cncc(C#N)c2)[C@@H](C)C1	ZINC000289466826	676140739	/nfs/dbraw/zinc/14/07/39/676140739.db2.gz	MRGVGGAUQJMIEK-WMLDXEAASA-N	1	0	366.487	1.369	20	30		FDEDRO
C=C[C@@H](CO)[NH2+][C@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1	ZINC000289782871	676177940	/nfs/dbraw/zinc/17/79/40/676177940.db2.gz	MVSRLTVAWQLUES-HIFRSBDPSA-N	1	0	350.440	1.956	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000281834642	675566468	/nfs/dbraw/zinc/56/64/68/675566468.db2.gz	VXLCOTZPAGYSHM-SJLPKXTDSA-N	1	0	364.515	1.777	20	30		FDEDRO
C=CCOc1ccc(C[NH2+]CC2(OCCO)CCOCC2)cc1OC	ZINC000282615950	675637587	/nfs/dbraw/zinc/63/75/87/675637587.db2.gz	IQJSKUBZGWNFJI-UHFFFAOYSA-N	1	0	351.443	1.908	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC(CO)CC1)C(C)C	ZINC000283216183	675651658	/nfs/dbraw/zinc/65/16/58/675651658.db2.gz	ODAAPWKZWMDNOZ-QGZVFWFLSA-N	1	0	351.491	1.032	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CC[C@@H](COC)C1)C(C)C	ZINC000283660184	675660055	/nfs/dbraw/zinc/66/00/55/675660055.db2.gz	BMFQEUXXLFJOCN-SJORKVTESA-N	1	0	351.491	1.296	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CCS(=O)(=O)c2ccccc21	ZINC000284257256	675680697	/nfs/dbraw/zinc/68/06/97/675680697.db2.gz	LONLUGSGQVXYCV-MRXNPFEDSA-N	1	0	363.483	1.642	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](CC)CC	ZINC000284360831	675698460	/nfs/dbraw/zinc/69/84/60/675698460.db2.gz	CJAUUWIUHWRLFD-AWEZNQCLSA-N	1	0	353.488	1.814	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2nc(C(F)(F)F)cs2)CC1	ZINC000285244333	675809753	/nfs/dbraw/zinc/80/97/53/675809753.db2.gz	NKIXNHFPNDXBNY-UHFFFAOYSA-N	1	0	362.377	1.867	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)CCC(=O)Nc1nnc(C(C)C)s1	ZINC000293866892	676368793	/nfs/dbraw/zinc/36/87/93/676368793.db2.gz	BNMNAMNNHMGWST-UHFFFAOYSA-N	1	0	351.476	1.452	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N1CCCN(c2nc(CC)ns2)CC1	ZINC000296953821	676422168	/nfs/dbraw/zinc/42/21/68/676422168.db2.gz	QIVYVSGWTTZTFB-UHFFFAOYSA-N	1	0	364.519	1.277	20	30		FDEDRO
CCOC(=O)c1ncn(C2CC[NH+](CCCSCC#N)CC2)c1N	ZINC000297707688	676428192	/nfs/dbraw/zinc/42/81/92/676428192.db2.gz	QXTDXCYSUSRQQQ-UHFFFAOYSA-N	1	0	351.476	1.926	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)NCCCN1CCCC1=O)C(C)C	ZINC000298609072	676480923	/nfs/dbraw/zinc/48/09/23/676480923.db2.gz	DEERBPJNFBQICF-QGZVFWFLSA-N	1	0	350.507	1.997	20	30		FDEDRO
C[NH+](C)CCCN(C(=O)c1cccc(CC#N)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000298785028	676496018	/nfs/dbraw/zinc/49/60/18/676496018.db2.gz	HKWFEVYFGCJOHE-QGZVFWFLSA-N	1	0	363.483	1.334	20	30		FDEDRO
CNS(=O)(=O)Cc1ccc(CNC(=[NH2+])Nc2ccc(OC)cc2)cc1	ZINC000303789714	676543047	/nfs/dbraw/zinc/54/30/47/676543047.db2.gz	VPJFUSMGSWTRQJ-UHFFFAOYSA-N	1	0	362.455	1.671	20	30		FDEDRO
CN1CCN(c2ncccc2CNC(=[NH2+])NCCc2cccs2)CC1	ZINC000303894664	676543763	/nfs/dbraw/zinc/54/37/63/676543763.db2.gz	SQXIVGDWVJBCQC-UHFFFAOYSA-N	1	0	358.515	1.542	20	30		FDEDRO
C[NH+]=C(NCCOc1ccc(S(C)(=O)=O)cc1)NCc1ccco1	ZINC000303973302	676543964	/nfs/dbraw/zinc/54/39/64/676543964.db2.gz	ACULDKXJXZGCFM-UHFFFAOYSA-N	1	0	351.428	1.427	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NC[C@H]2CC[C@H](C(=O)N(C)C)O2)cc1OC	ZINC000305772452	676545203	/nfs/dbraw/zinc/54/52/03/676545203.db2.gz	LAMXCNAASPGKIZ-TZMCWYRMSA-N	1	0	350.419	1.066	20	30		FDEDRO
CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)cc1	ZINC000326507980	676583640	/nfs/dbraw/zinc/58/36/40/676583640.db2.gz	RGRLEDFPVYCPMG-INIZCTEOSA-N	1	0	360.435	1.491	20	30		FDEDRO
O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000328688773	676602382	/nfs/dbraw/zinc/60/23/82/676602382.db2.gz	HUEUHUXRSOZULI-VVLHAWIVSA-N	1	0	351.491	1.685	20	30		FDEDRO
CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)NC1CC[NH+](CC2CC2)CC1	ZINC000328802687	676607638	/nfs/dbraw/zinc/60/76/38/676607638.db2.gz	GUTNECMAKYNWFE-INIZCTEOSA-N	1	0	372.535	1.179	20	30		FDEDRO
Cn1nccc1COCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000328843221	676609227	/nfs/dbraw/zinc/60/92/27/676609227.db2.gz	WDTDYDTVWVFVDV-SJORKVTESA-N	1	0	350.463	1.661	20	30		FDEDRO
Cc1csc(NC(=O)CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)n1	ZINC000328919703	676612127	/nfs/dbraw/zinc/61/21/27/676612127.db2.gz	BQAYRAXTNHYYJU-DZGCQCFKSA-N	1	0	351.520	1.997	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CCC(NC(=O)c3ccsc3)CC2)[N@H+](C)C1	ZINC000328922664	676612385	/nfs/dbraw/zinc/61/23/85/676612385.db2.gz	CODOCNNTACWKGJ-GJZGRUSLSA-N	1	0	351.472	1.763	20	30		FDEDRO
CC(C)C(=O)Nc1nc(CC(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)cs1	ZINC000328936092	676612547	/nfs/dbraw/zinc/61/25/47/676612547.db2.gz	CNPWBVGLJAHUOE-KBPBESRZSA-N	1	0	366.487	1.861	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)C1	ZINC000328966138	676614272	/nfs/dbraw/zinc/61/42/72/676614272.db2.gz	SMMUBRBIUXMCPC-OAGGEKHMSA-N	1	0	351.495	1.713	20	30		FDEDRO
COC[C@@H]1C[C@@H](OC)CN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000328970754	676614390	/nfs/dbraw/zinc/61/43/90/676614390.db2.gz	BGQMNDWPJYQUDL-YLFCFFPRSA-N	1	0	355.479	1.014	20	30		FDEDRO
CC(C)(C)[NH+]1CCC(NC(=O)CSCC(=O)N2CCOCC2)CC1	ZINC000329010928	676616129	/nfs/dbraw/zinc/61/61/29/676616129.db2.gz	IEGJKKFQMBJKAC-UHFFFAOYSA-N	1	0	357.520	1.798	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2OCCN(CC(=O)NCCOc3cccc(F)c3)[C@@H]2C1	ZINC000329020774	676616355	/nfs/dbraw/zinc/61/63/55/676616355.db2.gz	LYSZNMMYNNJDCZ-SJORKVTESA-N	1	0	351.422	1.566	20	30		FDEDRO
C[C@H](NC(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)C1=CC[N@H+](C)CC1	ZINC000329247503	676628546	/nfs/dbraw/zinc/62/85/46/676628546.db2.gz	WDMWFHHDUPOYRU-GJZGRUSLSA-N	1	0	372.535	1.154	20	30		FDEDRO
C[C@H](NC(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1)C1=CC[N@H+](C)CC1	ZINC000329247504	676628558	/nfs/dbraw/zinc/62/85/58/676628558.db2.gz	WDMWFHHDUPOYRU-LSDHHAIUSA-N	1	0	372.535	1.154	20	30		FDEDRO
CC[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)C[C@@H](C)S1(=O)=O	ZINC000329296317	676631815	/nfs/dbraw/zinc/63/18/15/676631815.db2.gz	STWNJPIMNPFXHO-OWCLPIDISA-N	1	0	359.536	1.776	20	30		FDEDRO
Cn1nccc1[C@H]1[C@H](CNC(=O)N2C[C@H](F)C[C@H]2CO)CCC[N@@H+]1C	ZINC000329339780	676633986	/nfs/dbraw/zinc/63/39/86/676633986.db2.gz	NXIQJWUXVAJPRZ-KNCOVGOOSA-N	1	0	353.442	1.122	20	30		FDEDRO
C[C@@H](C(=O)NCCS(=O)(=O)N1CCSCC1)[NH+]1CCCCCC1	ZINC000329343254	676634129	/nfs/dbraw/zinc/63/41/29/676634129.db2.gz	PYWUJSIRUCHHPN-AWEZNQCLSA-N	1	0	363.549	1.586	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000329411918	676637513	/nfs/dbraw/zinc/63/75/13/676637513.db2.gz	YGURWZXBEKBBTL-HZPDHXFCSA-N	1	0	352.479	1.591	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[C@@H]1CCCCO1	ZINC000329425239	676638172	/nfs/dbraw/zinc/63/81/72/676638172.db2.gz	GRKDGQWACUMBKO-JYJNAYRXSA-N	1	0	352.479	1.096	20	30		FDEDRO
C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CCCCS1(=O)=O	ZINC000329618718	676646242	/nfs/dbraw/zinc/64/62/42/676646242.db2.gz	DZOYLCPUMRDOIG-FZKCQIBNSA-N	1	0	359.536	1.824	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)[C@@H](C)C1	ZINC000329708272	676650711	/nfs/dbraw/zinc/65/07/11/676650711.db2.gz	MCVVBGKAEJOJJX-TTZDDIAXSA-N	1	0	354.495	1.821	20	30		FDEDRO
CC[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)C[C@@H]1N1CCOCC1	ZINC000329727082	676651915	/nfs/dbraw/zinc/65/19/15/676651915.db2.gz	CHVPCDDBCQASNB-CVEARBPZSA-N	1	0	355.504	1.443	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCOC3(CCOCC3)C2)C[C@H]1C	ZINC000329775226	676655205	/nfs/dbraw/zinc/65/52/05/676655205.db2.gz	JCNJRZSETRUERU-OWCLPIDISA-N	1	0	355.479	1.016	20	30		FDEDRO
C[NH+](C)[C@@]1(CNC(=O)N2CCC(N3CCCC3=O)CC2)CCSC1	ZINC000330088057	676671913	/nfs/dbraw/zinc/67/19/13/676671913.db2.gz	UIYGSYFXGMLCQS-QGZVFWFLSA-N	1	0	354.520	1.425	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC(=O)N(CC(F)(F)F)C1	ZINC000330115235	676673539	/nfs/dbraw/zinc/67/35/39/676673539.db2.gz	FMNDCEZQDLGFQS-NEPJUHHUSA-N	1	0	350.385	1.685	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N[C@H]1CCOC2(CCC2)C1	ZINC000330208512	676678441	/nfs/dbraw/zinc/67/84/41/676678441.db2.gz	BCIDRVQLMNAPDJ-BBWFWOEESA-N	1	0	351.491	1.970	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N(C[C@@H]1CCOC1)C1CC1	ZINC000330216016	676679219	/nfs/dbraw/zinc/67/92/19/676679219.db2.gz	HJXVACPOVHWYNI-QGTPRVQTSA-N	1	0	351.491	1.779	20	30		FDEDRO
COC[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCO1	ZINC000330218116	676679298	/nfs/dbraw/zinc/67/92/98/676679298.db2.gz	JBKVUNYMABRRDS-BBWFWOEESA-N	1	0	355.479	1.016	20	30		FDEDRO
CS(=O)(=O)N1CCC(CNC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1	ZINC000330233560	676679890	/nfs/dbraw/zinc/67/98/90/676679890.db2.gz	GAVMDUNEQLNJSJ-INIZCTEOSA-N	1	0	372.535	1.179	20	30		FDEDRO
CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C	ZINC000330234039	676679931	/nfs/dbraw/zinc/67/99/31/676679931.db2.gz	SJVIXAGRQHGKCT-OAGGEKHMSA-N	1	0	352.479	1.095	20	30		FDEDRO
CN(C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1CCCC[C@H]1O	ZINC000330275165	676682684	/nfs/dbraw/zinc/68/26/84/676682684.db2.gz	LCSVEBKWKBCTST-TVFCKZIOSA-N	1	0	353.507	1.904	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)C1	ZINC000330335488	676684577	/nfs/dbraw/zinc/68/45/77/676684577.db2.gz	RPGZJIPHZXYNGY-HZPDHXFCSA-N	1	0	372.535	1.132	20	30		FDEDRO
COC(=O)[C@]1(C)C[N@@H+]([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)C[C@H]1C	ZINC000330372896	676686002	/nfs/dbraw/zinc/68/60/02/676686002.db2.gz	CFFLRGJIWIYGGT-VYUIOLGVSA-N	1	0	353.341	1.098	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1	ZINC000330377851	676686884	/nfs/dbraw/zinc/68/68/84/676686884.db2.gz	QOBWYFSEAPKNOJ-IXDOHACOSA-N	1	0	372.535	1.430	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000330378784	676687014	/nfs/dbraw/zinc/68/70/14/676687014.db2.gz	RUJBERBDGVAONS-SJLPKXTDSA-N	1	0	364.515	1.967	20	30		FDEDRO
COC(=O)[C@]1(C)C[N@@H+]([C@H](C)C(=O)NC(=O)NC2CCCCC2)C[C@H]1C	ZINC000330388627	676688077	/nfs/dbraw/zinc/68/80/77/676688077.db2.gz	XCAOLDRCZVIGLP-SNUQEOBHSA-N	1	0	353.463	1.869	20	30		FDEDRO
CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@@H](S(C)(=O)=O)C2)CC1	ZINC000330427261	676689902	/nfs/dbraw/zinc/68/99/02/676689902.db2.gz	TUWKSIACCQXTOS-MRXNPFEDSA-N	1	0	359.536	1.777	20	30		FDEDRO
CCS(=O)(=O)N(C)CCCNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1	ZINC000330470985	676692207	/nfs/dbraw/zinc/69/22/07/676692207.db2.gz	BPHUNQNCWIVLEZ-MRXNPFEDSA-N	1	0	374.551	1.236	20	30		FDEDRO
Cc1cc(C)c(CNC(=O)N2CCC([N@H+](C)CCCO)CC2)c(=O)[nH]1	ZINC000330870173	676707592	/nfs/dbraw/zinc/70/75/92/676707592.db2.gz	QMDGPRMOIGFCKJ-UHFFFAOYSA-N	1	0	350.463	1.597	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1	ZINC000330905023	676709075	/nfs/dbraw/zinc/70/90/75/676709075.db2.gz	USWOTJQUPQYZMF-ZFWWWQNUSA-N	1	0	356.517	1.811	20	30		FDEDRO
C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@@H](CS(C)(=O)=O)C1	ZINC000331098750	676716668	/nfs/dbraw/zinc/71/66/68/676716668.db2.gz	DTFSJAKBQKLBRP-XUWVNRHRSA-N	1	0	359.536	1.633	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@@H]1C	ZINC000331301332	676726309	/nfs/dbraw/zinc/72/63/09/676726309.db2.gz	WPELSCMJOVZINL-JSGCOSHPSA-N	1	0	354.476	1.684	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1	ZINC000331965365	676735725	/nfs/dbraw/zinc/73/57/25/676735725.db2.gz	IYZMJLLGBLZYGJ-PBHICJAKSA-N	1	0	363.483	1.317	20	30		FDEDRO
CO[C@H]1CCN(C(=O)NCCSCc2ccccc2C#N)[C@@H](C[NH3+])C1	ZINC000416874616	679727614	/nfs/dbraw/zinc/72/76/14/679727614.db2.gz	UDIUFOGUNRMAPL-SJORKVTESA-N	1	0	362.499	1.939	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CC	ZINC000363106233	676935357	/nfs/dbraw/zinc/93/53/57/676935357.db2.gz	ZVQVQDQCMJGPSM-RRFJBIMHSA-N	1	0	350.463	1.252	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC2CC[NH+](Cc3cccs3)CC2)cn1	ZINC000363107432	676935451	/nfs/dbraw/zinc/93/54/51/676935451.db2.gz	HPTSXAGXHYZDNV-UHFFFAOYSA-N	1	0	362.480	1.958	20	30		FDEDRO
N#Cc1c(F)ccc(C[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)c1Cl	ZINC000365495220	677359653	/nfs/dbraw/zinc/35/96/53/677359653.db2.gz	XPEODVSOXVGGML-OAHLLOKOSA-N	1	0	366.868	1.847	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1c2ccccc2CC[C@H]1[NH+](C)C	ZINC000367124653	677488228	/nfs/dbraw/zinc/48/82/28/677488228.db2.gz	JVYSFWHUYBVLKK-KBRIMQKVSA-N	1	0	350.488	1.530	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1	ZINC000368594486	677500643	/nfs/dbraw/zinc/50/06/43/677500643.db2.gz	WQXVZOZIMMQVHY-WMLDXEAASA-N	1	0	363.483	1.317	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CCC[N@@H+]1CCc1ccccc1	ZINC000370297852	677562449	/nfs/dbraw/zinc/56/24/49/677562449.db2.gz	MUBSTWHXNVTCPG-SJLPKXTDSA-N	1	0	364.515	1.619	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000371320971	677661273	/nfs/dbraw/zinc/66/12/73/677661273.db2.gz	LOGCELBICPWJTD-RDJZCZTQSA-N	1	0	350.507	1.214	20	30		FDEDRO
CN1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C[C@H]1C#N	ZINC000372140523	677849717	/nfs/dbraw/zinc/84/97/17/677849717.db2.gz	PAPILAFDCSPXKG-UXLLHSPISA-N	1	0	361.515	1.980	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1	ZINC000374463303	678083563	/nfs/dbraw/zinc/08/35/63/678083563.db2.gz	UIVYQXKSWHVHPE-OAHLLOKOSA-N	1	0	372.535	1.072	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N(C)C1CCN(c2cc[nH+]cc2)CC1	ZINC000374541686	678086361	/nfs/dbraw/zinc/08/63/61/678086361.db2.gz	AYPOJTKIJQDUPO-AWEZNQCLSA-N	1	0	351.476	1.461	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1	ZINC000374634343	678088446	/nfs/dbraw/zinc/08/84/46/678088446.db2.gz	ZZJUWBXVMVWYOS-XIRDDKMYSA-N	1	0	363.483	1.350	20	30		FDEDRO
N#CC1(NC(=O)CN2CSCC2=O)CC[NH+](Cc2ccccc2)CC1	ZINC000374894221	678093093	/nfs/dbraw/zinc/09/30/93/678093093.db2.gz	HTTFPPADHOTJRQ-UHFFFAOYSA-N	1	0	358.467	1.194	20	30		FDEDRO
COCCC[N@@H+]1CCCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1	ZINC000377333160	678520522	/nfs/dbraw/zinc/52/05/22/678520522.db2.gz	BPXMQOOBVFRZMF-UHFFFAOYSA-N	1	0	351.472	1.432	20	30		FDEDRO
C#CCCC[NH2+]C1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1	ZINC000378498781	678749306	/nfs/dbraw/zinc/74/93/06/678749306.db2.gz	QQJNOHAOROFDLD-UHFFFAOYSA-N	1	0	363.483	1.801	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000423625447	680805622	/nfs/dbraw/zinc/80/56/22/680805622.db2.gz	FRYVWNBEDJSARQ-CYBMUJFWSA-N	1	0	358.364	1.212	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)c2cccc(C#N)c2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000408027490	678824537	/nfs/dbraw/zinc/82/45/37/678824537.db2.gz	LNFSWIHWMNXPME-YJBOKZPZSA-N	1	0	362.499	1.205	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N(CCCc1ccccc1)CC[NH+](C)C	ZINC000409559598	678859555	/nfs/dbraw/zinc/85/95/55/678859555.db2.gz	VMAQJYIQKPKWCU-KRWDZBQOSA-N	1	0	366.531	1.819	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1ccc(CC[NH+](C)C)cc1	ZINC000410416485	678895292	/nfs/dbraw/zinc/89/52/92/678895292.db2.gz	CXTIEGGSEMMJLL-HNNXBMFYSA-N	1	0	352.504	1.607	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1	ZINC000410831989	678956585	/nfs/dbraw/zinc/95/65/85/678956585.db2.gz	BBCIAJVIGGCOKK-UHFFFAOYSA-N	1	0	351.491	1.372	20	30		FDEDRO
CN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)[C@H]([NH3+])CCCC#N	ZINC000424107253	680830097	/nfs/dbraw/zinc/83/00/97/680830097.db2.gz	NQGBTCXTUCCCDO-MRXNPFEDSA-N	1	0	367.471	1.339	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1	ZINC000424105726	680830101	/nfs/dbraw/zinc/83/01/01/680830101.db2.gz	KIIVQQDQTHNCCM-INIZCTEOSA-N	1	0	362.861	1.574	20	30		FDEDRO
C=C(C)[C@H](CC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)OCC	ZINC000412468683	679188242	/nfs/dbraw/zinc/18/82/42/679188242.db2.gz	VWAYAXBCNHRBEZ-KRWDZBQOSA-N	1	0	353.507	1.271	20	30		FDEDRO
COC(=O)[C@H]1CN(c2ncc(Br)cc2C#N)CC[N@H+](C)C1	ZINC000413503406	679275056	/nfs/dbraw/zinc/27/50/56/679275056.db2.gz	RZTXQXCVMYXUDB-LLVKDONJSA-N	1	0	353.220	1.257	20	30		FDEDRO
N#Cc1cccc(C(=O)N[C@H](CO)C[NH+]2CCCCC2)c1Br	ZINC000413799930	679298720	/nfs/dbraw/zinc/29/87/20/679298720.db2.gz	OZQWEZBUJWQLMC-ZDUSSCGKSA-N	1	0	366.259	1.897	20	30		FDEDRO
N#Cc1cc(NC(=O)NC[C@@H]2C[NH2+]CCO2)ccc1OCC(F)(F)F	ZINC000414832042	679370827	/nfs/dbraw/zinc/37/08/27/679370827.db2.gz	DCLQQVMCPCFCNF-LBPRGKRZSA-N	1	0	358.320	1.609	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2C[NH2+]C)cc1	ZINC000414889421	679372461	/nfs/dbraw/zinc/37/24/61/679372461.db2.gz	GLASNDNJDLQCRG-OAHLLOKOSA-N	1	0	366.487	1.709	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)C2CC([NH3+])C2)cc1	ZINC000414889115	679372495	/nfs/dbraw/zinc/37/24/95/679372495.db2.gz	FWZXLBXNLXAUIJ-UHFFFAOYSA-N	1	0	352.460	1.447	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1	ZINC000414897553	679373298	/nfs/dbraw/zinc/37/32/98/679373298.db2.gz	RNSNFEYJEBPRMD-CZUORRHYSA-N	1	0	366.487	1.613	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1	ZINC000415263708	679397447	/nfs/dbraw/zinc/39/74/47/679397447.db2.gz	NRDATXVZTMZYFJ-OLZOCXBDSA-N	1	0	357.332	1.562	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H]([NH3+])C1	ZINC000415295653	679403894	/nfs/dbraw/zinc/40/38/94/679403894.db2.gz	QOPOGQZKYBWEEZ-LLVKDONJSA-N	1	0	368.231	1.512	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)ccc1Br	ZINC000415458423	679433936	/nfs/dbraw/zinc/43/39/36/679433936.db2.gz	VTKDMJKHKBLIKT-LBPRGKRZSA-N	1	0	351.204	1.113	20	30		FDEDRO
C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1	ZINC000415469532	679435556	/nfs/dbraw/zinc/43/55/56/679435556.db2.gz	XNVUYYIURRETOU-FZMZJTMJSA-N	1	0	358.833	2.517	20	30		FDEDRO
C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000415492893	679439371	/nfs/dbraw/zinc/43/93/71/679439371.db2.gz	LOZWRMMQYNGCHD-NSHDSACASA-N	1	0	352.341	1.309	20	30		FDEDRO
CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000415499954	679440702	/nfs/dbraw/zinc/44/07/02/679440702.db2.gz	PLZRXUMXQFJCBF-LBPRGKRZSA-N	1	0	367.247	1.893	20	30		FDEDRO
CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000415503777	679441125	/nfs/dbraw/zinc/44/11/25/679441125.db2.gz	VGSGNZKLZWVIPO-NSHDSACASA-N	1	0	354.357	1.732	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@H](C)C[NH3+]	ZINC000415510933	679441770	/nfs/dbraw/zinc/44/17/70/679441770.db2.gz	LPKKCQKVOBOOPD-SNVBAGLBSA-N	1	0	370.247	1.663	20	30		FDEDRO
C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000415540450	679447746	/nfs/dbraw/zinc/44/77/46/679447746.db2.gz	LUXWBWDGJUIZQJ-NXEZZACHSA-N	1	0	365.231	1.455	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@](C)(C[NH3+])C2CC2)cc1	ZINC000415601572	679462730	/nfs/dbraw/zinc/46/27/30/679462730.db2.gz	PSHIBKXSURPMRJ-BZNIZROVSA-N	1	0	350.444	1.621	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1C(F)(F)F	ZINC000415658862	679473381	/nfs/dbraw/zinc/47/33/81/679473381.db2.gz	QHKFEHUHURUGDD-PHIMTYICSA-N	1	0	352.316	1.193	20	30		FDEDRO
N#Cc1ccc(NC(=O)NCCN2CC[NH2+]CC2)cc1Br	ZINC000415698533	679481347	/nfs/dbraw/zinc/48/13/47/679481347.db2.gz	ZKHYQXPFPCVMFN-UHFFFAOYSA-N	1	0	352.236	1.347	20	30		FDEDRO
C[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000415703183	679482205	/nfs/dbraw/zinc/48/22/05/679482205.db2.gz	QEUWHGUVIPBCBU-SECBINFHSA-N	1	0	358.320	1.162	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)F)cc1C(F)(F)F	ZINC000415782955	679499940	/nfs/dbraw/zinc/49/99/40/679499940.db2.gz	HQSKYSYXYPGNHB-JTQLQIEISA-N	1	0	364.274	1.614	20	30		FDEDRO
O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC(F)(F)C(F)(F)C1	ZINC000418613332	680098171	/nfs/dbraw/zinc/09/81/71/680098171.db2.gz	JMKCTDDUUYHEAG-MRVPVSSYSA-N	1	0	366.281	1.118	20	30		FDEDRO
[NH3+]C[C@H]1CCCN1C(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000419111318	680192441	/nfs/dbraw/zinc/19/24/41/680192441.db2.gz	IRRUUTUFCGJWRL-CQSZACIVSA-N	1	0	353.344	1.123	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSCc2nc(C#N)cs2)C1	ZINC000419655319	680308028	/nfs/dbraw/zinc/30/80/28/680308028.db2.gz	VWIUHUYFIQCLNO-AWEZNQCLSA-N	1	0	368.528	1.721	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(F)c(F)c1	ZINC000419679055	680318243	/nfs/dbraw/zinc/31/82/43/680318243.db2.gz	PBWKJVUKFOQTNF-XZJROXQQSA-N	1	0	351.397	1.812	20	30		FDEDRO
C[N@H+](CCNC(=O)C(=O)Nc1cccc(C#N)c1Br)C1CC1	ZINC000419691939	680323868	/nfs/dbraw/zinc/32/38/68/680323868.db2.gz	GONYMAJMBSMPIO-UHFFFAOYSA-N	1	0	365.231	1.470	20	30		FDEDRO
N#CCC1(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1	ZINC000419728747	680340028	/nfs/dbraw/zinc/34/00/28/680340028.db2.gz	NSTZHZZAYRTLCW-UHFFFAOYSA-N	1	0	358.261	1.880	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)c2cccc(Br)c2C#N)[C@@H](C)C[NH2+]1	ZINC000420419021	680443544	/nfs/dbraw/zinc/44/35/44/680443544.db2.gz	ITGHPHIXGCQFJU-UWVGGRQHSA-N	1	0	358.261	1.692	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC[C@H]1[NH3+]	ZINC000420448963	680456845	/nfs/dbraw/zinc/45/68/45/680456845.db2.gz	JXBPLGGMZIMNAW-TVQRCGJNSA-N	1	0	358.261	1.679	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NCc1ccc(S(C)(=O)=O)cc1	ZINC000425472167	680903837	/nfs/dbraw/zinc/90/38/37/680903837.db2.gz	GPWSIQHFEYCGOH-CVEARBPZSA-N	1	0	352.456	1.030	20	30		FDEDRO
Cc1c(NC(=O)C(=O)NCC[NH+](C)C)ccc(Br)c1C#N	ZINC000425751405	680924162	/nfs/dbraw/zinc/92/41/62/680924162.db2.gz	ZKSXPJOYUMZYII-UHFFFAOYSA-N	1	0	353.220	1.246	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1	ZINC000430406683	681075596	/nfs/dbraw/zinc/07/55/96/681075596.db2.gz	MLFZJXSROZIPSJ-UAGQMJEPSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=CCSc1ccccc1NC(=O)CN(C)CC(=O)N1CC[NH2+]CC1	ZINC000430665912	681090161	/nfs/dbraw/zinc/09/01/61/681090161.db2.gz	NQFJPXFGEIUNFD-UHFFFAOYSA-N	1	0	362.499	1.267	20	30		FDEDRO
CC[NH+](CC)CCNS(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000432941285	681170052	/nfs/dbraw/zinc/17/00/52/681170052.db2.gz	XSUJHGOVUWAJSY-UHFFFAOYSA-N	1	0	360.277	1.941	20	30		FDEDRO
CCn1cncc1S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000433651763	681207578	/nfs/dbraw/zinc/20/75/78/681207578.db2.gz	XJPPOELPZDBHMO-UHFFFAOYSA-N	1	0	361.471	1.527	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCCCC[NH+]1CCN(CC)CC1	ZINC000437637543	681802871	/nfs/dbraw/zinc/80/28/71/681802871.db2.gz	QKOFKHQQJKTNBA-QZTJIDSGSA-N	1	0	352.523	1.685	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1CS(=O)(=O)NC	ZINC000440388774	681994756	/nfs/dbraw/zinc/99/47/56/681994756.db2.gz	WFZLYKIYERTCJQ-DLBZAZTESA-N	1	0	368.499	1.168	20	30		FDEDRO
N#Cc1ccc(N2C[C@H](C(=O)NCC[NH+]3CCCC3)CC2=O)cc1Cl	ZINC000448602898	682624852	/nfs/dbraw/zinc/62/48/52/682624852.db2.gz	CCKJRUBYVKTQKV-CQSZACIVSA-N	1	0	360.845	1.777	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)CC(=O)N1CCC(C(=O)OCC)CC1	ZINC000449548867	682685111	/nfs/dbraw/zinc/68/51/11/682685111.db2.gz	RLJOFEFTZVCTLB-OIISXLGYSA-N	1	0	352.475	1.890	20	30		FDEDRO
C=C(C)CCNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-]	ZINC000450717160	682775839	/nfs/dbraw/zinc/77/58/39/682775839.db2.gz	PDNUGCYTITVYFD-UHFFFAOYSA-N	1	0	356.448	1.813	20	30		FDEDRO
CS[C@@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1	ZINC000451320369	682860762	/nfs/dbraw/zinc/86/07/62/682860762.db2.gz	AAXCKNAMIVMCQS-CABCVRRESA-N	1	0	364.540	1.894	20	30		FDEDRO
CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1(C)C	ZINC000451491792	682888286	/nfs/dbraw/zinc/88/82/86/682888286.db2.gz	CCKHFDCWXAMTDX-JOCBIADPSA-N	1	0	350.507	1.328	20	30		FDEDRO
C=CCC[C@@H](CO)[NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000453340974	683160142	/nfs/dbraw/zinc/16/01/42/683160142.db2.gz	DNTNOEGGKGARLS-RDJZCZTQSA-N	1	0	368.499	1.685	20	30		FDEDRO
C=CCC[C@@H](CO)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000453363181	683160649	/nfs/dbraw/zinc/16/06/49/683160649.db2.gz	QMIUXSITQQWDAO-RDJZCZTQSA-N	1	0	368.499	1.685	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H](C)C1	ZINC000453599409	683168712	/nfs/dbraw/zinc/16/87/12/683168712.db2.gz	NABLCZURMQUABM-NEPJUHHUSA-N	1	0	363.849	1.782	20	30		FDEDRO
C[N@@H+]1CC[C@H](CNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1	ZINC000455115251	683398210	/nfs/dbraw/zinc/39/82/10/683398210.db2.gz	WSHGOJDSMUEWJV-CYBMUJFWSA-N	1	0	358.833	2.471	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2F)C[C@H]1[NH+](C)C	ZINC000480723510	686214150	/nfs/dbraw/zinc/21/41/50/686214150.db2.gz	ZRWSLMRQKQEMLT-HUUCEWRRSA-N	1	0	357.476	1.505	20	30		FDEDRO
CC(C)[N@H+](C)CCNC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1	ZINC000481046279	686285789	/nfs/dbraw/zinc/28/57/89/686285789.db2.gz	ZMYSSWIMIXNRTQ-ZDUSSCGKSA-N	1	0	352.460	1.834	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](CC2CCC2)[C@@H](C)CO)CC1	ZINC000483140699	686470979	/nfs/dbraw/zinc/47/09/79/686470979.db2.gz	FYFFEEAQVPGMKJ-WMZOPIPTSA-N	1	0	350.507	1.162	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCOC[C@H]2OCCOC)CC1	ZINC000486197275	686848802	/nfs/dbraw/zinc/84/88/02/686848802.db2.gz	XRHGXPOAESXHOA-DLBZAZTESA-N	1	0	355.479	1.147	20	30		FDEDRO
C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C	ZINC000496223987	687645348	/nfs/dbraw/zinc/64/53/48/687645348.db2.gz	REVGAVVMGMBUBX-OAHLLOKOSA-N	1	0	350.463	1.105	20	30		FDEDRO
C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1	ZINC000499063747	687901797	/nfs/dbraw/zinc/90/17/97/687901797.db2.gz	DIWRUOJROXBIAK-AWEZNQCLSA-N	1	0	351.472	1.834	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN([C@H](C#N)c2ccccc2)CC1)[C@H]1CCSC1	ZINC000500720402	688129005	/nfs/dbraw/zinc/12/90/05/688129005.db2.gz	LJMLRCGYNDPQEI-ZWKOTPCHSA-N	1	0	358.511	1.833	20	30		FDEDRO
CC[NH+](CC)[C@@H](CNC(=O)NCC(=O)NCC#N)c1ccccc1Cl	ZINC000511907192	689565332	/nfs/dbraw/zinc/56/53/32/689565332.db2.gz	RYLOOXCKXHJEML-HNNXBMFYSA-N	1	0	365.865	1.662	20	30		FDEDRO
C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1	ZINC000512433042	689614484	/nfs/dbraw/zinc/61/44/84/689614484.db2.gz	JKWYTPKREZOSMU-ULQDDVLXSA-N	1	0	352.475	1.620	20	30		FDEDRO
CS(=O)(=O)N1CCC([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1	ZINC000513653371	689692291	/nfs/dbraw/zinc/69/22/91/689692291.db2.gz	DFDUGFRBSYGFAB-UHFFFAOYSA-N	1	0	362.499	1.541	20	30		FDEDRO
Cc1c(C#N)cccc1C(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1	ZINC000513835305	689705322	/nfs/dbraw/zinc/70/53/22/689705322.db2.gz	KVGRLVQERPENIP-INIZCTEOSA-N	1	0	363.483	1.448	20	30		FDEDRO
C[NH+]1CCN(CCCCNS(=O)(=O)Cc2ccc(CC#N)cc2)CC1	ZINC000516178143	689925473	/nfs/dbraw/zinc/92/54/73/689925473.db2.gz	LJHMPVLQYPCGFT-UHFFFAOYSA-N	1	0	364.515	1.200	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1CSCCN1Cc1ccccc1	ZINC000516762915	689986424	/nfs/dbraw/zinc/98/64/24/689986424.db2.gz	YBMHFQZJDPTANL-RBUKOAKNSA-N	1	0	362.543	1.400	20	30		FDEDRO
CS(=O)(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1	ZINC000519570236	690223488	/nfs/dbraw/zinc/22/34/88/690223488.db2.gz	AYRWGTBSFUOYFS-LBPRGKRZSA-N	1	0	361.389	1.948	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CC(=O)N(c2ccccc2Cl)C1	ZINC000519596082	690227805	/nfs/dbraw/zinc/22/78/05/690227805.db2.gz	JRKVYKQOAGWIBG-KBPBESRZSA-N	1	0	350.850	1.241	20	30		FDEDRO
C[C@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)[C@H]1CCC[NH2+]C1	ZINC000521624884	694416528	/nfs/dbraw/zinc/41/65/28/694416528.db2.gz	KPRWMDZARPBBMQ-JQWIXIFHSA-N	1	0	372.288	1.987	20	30		FDEDRO
C[NH+]1CCN(C[C@H](NS(=O)(=O)CCCC#N)c2ccccc2)CC1	ZINC000522023925	694458151	/nfs/dbraw/zinc/45/81/51/694458151.db2.gz	CFLNEYGREPHFHU-KRWDZBQOSA-N	1	0	350.488	1.198	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1	ZINC000525619717	694631285	/nfs/dbraw/zinc/63/12/85/694631285.db2.gz	ZXGGHZRZAOVCED-UKRRQHHQSA-N	1	0	351.472	1.363	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(S(N)(=O)=O)cn1C)C(C)C	ZINC000531249193	694826869	/nfs/dbraw/zinc/82/68/69/694826869.db2.gz	VDEGAXKUSJDINW-INIZCTEOSA-N	1	0	368.503	1.101	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1NCCCC[NH+]1CCOCC1	ZINC000641296613	696036277	/nfs/dbraw/zinc/03/62/77/696036277.db2.gz	ZEGWEESQORPCEN-UHFFFAOYSA-N	1	0	353.488	1.675	20	30		FDEDRO
Cc1cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(C#N)n1	ZINC001164828908	720323076	/nfs/dbraw/zinc/32/30/76/720323076.db2.gz	KJFKOQZRGDYEFO-SJORKVTESA-N	1	0	368.485	1.568	20	30		FDEDRO
CCc1nc(C#N)c(C#N)nc1N1Cc2nccn2C[C@@H](C[NH+](C)C)C1	ZINC001164735843	720532600	/nfs/dbraw/zinc/53/26/00/720532600.db2.gz	SIEKJZDSQSEAKC-CYBMUJFWSA-N	1	0	350.430	1.177	20	30		FDEDRO
N#Cc1c[nH]c2nc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)ncc12	ZINC001164736607	720577282	/nfs/dbraw/zinc/57/72/82/720577282.db2.gz	OTNWFWLBVQXTHJ-UHFFFAOYSA-N	1	0	362.441	1.685	20	30		FDEDRO
C=CCOc1cc(C)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1	ZINC001164741581	720702104	/nfs/dbraw/zinc/70/21/04/720702104.db2.gz	UGSOKQYULBWILY-HOTGVXAUSA-N	1	0	368.441	1.482	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3nc4c(cc3C#N)COCC4)CC[C@H]2C1	ZINC001164856620	720884642	/nfs/dbraw/zinc/88/46/42/720884642.db2.gz	ILOJPULBDNCOSX-KXBFYZLASA-N	1	0	372.469	1.199	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(Cl)ncc1C#N)CC2	ZINC001164749436	720946667	/nfs/dbraw/zinc/94/66/67/720946667.db2.gz	GJNMHDZIOVAWJE-UHFFFAOYSA-N	1	0	374.832	1.449	20	30		FDEDRO
Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)cnc4C#N)C[C@H]3C2)cn1	ZINC001164773617	721093057	/nfs/dbraw/zinc/09/30/57/721093057.db2.gz	XTZQOWJNLKQNDU-ZIAGYGMSSA-N	1	0	357.849	1.693	20	30		FDEDRO
COc1cc(C#N)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1	ZINC001164865360	721096566	/nfs/dbraw/zinc/09/65/66/721096566.db2.gz	KKORNXUMLPNDCO-MJGOQNOKSA-N	1	0	365.437	1.837	20	30		FDEDRO
C=CCCn1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)nn1	ZINC000657372873	782364968	/nfs/dbraw/zinc/36/49/68/782364968.db2.gz	ZNODTGYRKYLXBR-ICSRJNTNSA-N	1	0	355.486	1.827	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cncs2)C[C@H]1c1ccccc1	ZINC001211541759	782502258	/nfs/dbraw/zinc/50/22/58/782502258.db2.gz	GIDHQZQOOOPPQB-DLBZAZTESA-N	1	0	355.463	1.991	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)n(C)n2)C[C@H]1c1ccccc1	ZINC001211543797	782686094	/nfs/dbraw/zinc/68/60/94/782686094.db2.gz	LHFAKHYJHODFSN-AZUAARDMSA-N	1	0	366.465	1.576	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1ccc(OCC(=O)OC)cc1	ZINC000274493802	768819879	/nfs/dbraw/zinc/81/98/79/768819879.db2.gz	SZBRDFMJHSMEFU-CABCVRRESA-N	1	0	361.442	1.897	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)c1	ZINC001020423120	769407944	/nfs/dbraw/zinc/40/79/44/769407944.db2.gz	RTFRJCNLDIFTRF-BRFLTPSNSA-N	1	0	373.428	1.486	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CC(C)(C)CO2)C[C@H]1C	ZINC001104411952	782776100	/nfs/dbraw/zinc/77/61/00/782776100.db2.gz	PPYNAEWLFQYWDS-KURKYZTESA-N	1	0	350.503	1.916	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCO[C@@H]3C[N@@H+](C[C@H](OC)C4CCC4)C[C@@H]32)c1	ZINC001083188179	769980787	/nfs/dbraw/zinc/98/07/87/769980787.db2.gz	IHTYXYQZPNBLTC-SLFFLAALSA-N	1	0	369.465	1.403	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(C(N)=O)cc2)C1	ZINC000969683824	770637854	/nfs/dbraw/zinc/63/78/54/770637854.db2.gz	FTYVGEFKYQQYDH-KYNGSXCRSA-N	1	0	371.481	1.703	20	30		FDEDRO
C[C@H](NC(=O)[C@H]1C[C@@H](C)CC(=O)N1)C1C[NH+](Cc2ccc(C#N)cc2)C1	ZINC000969689512	770648362	/nfs/dbraw/zinc/64/83/62/770648362.db2.gz	JKOIWJDHUIVCBR-QWQRMKEZSA-N	1	0	354.454	1.409	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H]3CN(Cc4ccccc4C#N)C[C@@H]32)C1	ZINC001083193011	771025512	/nfs/dbraw/zinc/02/55/12/771025512.db2.gz	XXFNLVNXYCPCDZ-LSTHTHJFSA-N	1	0	368.481	1.312	20	30		FDEDRO
C=C(C)COc1cccc(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c1	ZINC000120126690	771030432	/nfs/dbraw/zinc/03/04/32/771030432.db2.gz	TXASJDDWUIFUFA-UHFFFAOYSA-N	1	0	371.441	1.977	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CCC(c2nnc3n2CCCC3)CC1	ZINC000275011789	771038143	/nfs/dbraw/zinc/03/81/43/771038143.db2.gz	ROACTCZPKJIBMD-ZDUSSCGKSA-N	1	0	360.462	1.194	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(=O)N(C)C)cc2)C1	ZINC000970016571	771194940	/nfs/dbraw/zinc/19/49/40/771194940.db2.gz	CHXLWYBFDQSFGC-QRVBRYPASA-N	1	0	371.481	1.670	20	30		FDEDRO
Cn1cc([C@@H]2C[C@H]2C(=O)NCCC[NH2+]CC#Cc2ccc(F)cc2)cn1	ZINC001167103641	771267731	/nfs/dbraw/zinc/26/77/31/771267731.db2.gz	VEUHEDMWNOUNNU-RBUKOAKNSA-N	1	0	354.429	1.810	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc3n2CCCC3)C1	ZINC001020726490	771307835	/nfs/dbraw/zinc/30/78/35/771307835.db2.gz	NOSZRSGIULIIGA-XSWJXKHESA-N	1	0	359.474	1.332	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1	ZINC000275140504	771361419	/nfs/dbraw/zinc/36/14/19/771361419.db2.gz	VCYAEARMQHLWOM-CQSZACIVSA-N	1	0	368.359	1.175	20	30		FDEDRO
Cn1cc([C@@H]2C[C@H]2C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)cn1	ZINC001022749706	782920893	/nfs/dbraw/zinc/92/08/93/782920893.db2.gz	SGIORDGMNCCBAH-UWWPHRKUSA-N	1	0	355.467	1.894	20	30		FDEDRO
CC[C@@H](C(=O)N1CCO[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@@H]21)[NH+](C)C	ZINC001083195900	771422278	/nfs/dbraw/zinc/42/22/78/771422278.db2.gz	VAJVPGUVLAQSQN-GBESFXJTSA-N	1	0	356.470	1.310	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCOCC)C1	ZINC001104238352	771560493	/nfs/dbraw/zinc/56/04/93/771560493.db2.gz	DDKIVGHBZAREBW-IAGOWNOFSA-N	1	0	367.534	1.816	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNS(=O)(=O)c3ccccc3C#N)cc2)CC1	ZINC000049740723	771608597	/nfs/dbraw/zinc/60/85/97/771608597.db2.gz	TUIKBNGXPCZWLJ-UHFFFAOYSA-N	1	0	370.478	1.789	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1	ZINC000430383784	771728466	/nfs/dbraw/zinc/72/84/66/771728466.db2.gz	JFMKZLFZAKRRLD-WMZOPIPTSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1	ZINC000430395682	771764689	/nfs/dbraw/zinc/76/46/89/771764689.db2.gz	AVOUOEIHRNLLAG-AEFFLSMTSA-N	1	0	363.502	1.561	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2	ZINC000646954037	772152361	/nfs/dbraw/zinc/15/23/61/772152361.db2.gz	PAWNFVQTSQRHRS-DOTOQJQBSA-N	1	0	371.481	1.876	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2O)CC1	ZINC000970334686	772383446	/nfs/dbraw/zinc/38/34/46/772383446.db2.gz	CXWSADNNHUZAJF-SJORKVTESA-N	1	0	363.502	1.295	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@H](OCC)C(=C)C)C[C@H]1C	ZINC001104255377	772432470	/nfs/dbraw/zinc/43/24/70/772432470.db2.gz	MWLCCXYWNICHPO-KURKYZTESA-N	1	0	363.502	1.181	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCOC)C2)C[C@H]1C	ZINC001104259455	772499381	/nfs/dbraw/zinc/49/93/81/772499381.db2.gz	OGUNPIYRHKYILE-ZACQAIPSSA-N	1	0	351.491	1.132	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CCN1c1cc[nH+]cc1	ZINC000890986576	772648916	/nfs/dbraw/zinc/64/89/16/772648916.db2.gz	KMKFTCLIVVLDCI-CYBMUJFWSA-N	1	0	367.384	1.768	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCC(F)(F)C2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104273955	772712002	/nfs/dbraw/zinc/71/20/02/772712002.db2.gz	BLTLOGOJWKWLIB-QLFBSQMISA-N	1	0	370.444	1.526	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3oc(C)nc3C)[C@@H]2C1	ZINC001021285643	772748544	/nfs/dbraw/zinc/74/85/44/772748544.db2.gz	CGUKEWXUCZNQGD-YESZJQIVSA-N	1	0	370.453	1.062	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)CC(F)F)C[C@H]1C	ZINC001104281218	772762100	/nfs/dbraw/zinc/76/21/00/772762100.db2.gz	KKXPZSTYVRCTSN-QLFBSQMISA-N	1	0	371.472	1.880	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2nn(C)cc2Cl)C1	ZINC001111756217	772840384	/nfs/dbraw/zinc/84/03/84/772840384.db2.gz	IDZLDHGMYKTKME-GUYCJALGSA-N	1	0	352.866	1.860	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)COC)C[C@H]1C	ZINC001104418546	783054678	/nfs/dbraw/zinc/05/46/78/783054678.db2.gz	SWFQXJIJTDCSPK-BZUAXINKSA-N	1	0	353.507	1.424	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(C)C[C@H](C)C#N)c(C)c2)CC1	ZINC000275655160	772976985	/nfs/dbraw/zinc/97/69/85/772976985.db2.gz	HAKQHOMXGGZVLC-OAHLLOKOSA-N	1	0	371.485	1.694	20	30		FDEDRO
[NH3+]C[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F)C(F)(F)F	ZINC000655957528	773052146	/nfs/dbraw/zinc/05/21/46/773052146.db2.gz	BOEKFHKBHVUGSI-MRVPVSSYSA-N	1	0	361.217	1.789	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn(C)nc1C	ZINC001021384806	773120856	/nfs/dbraw/zinc/12/08/56/773120856.db2.gz	AZSPJENDCVZWRJ-TZOQOTQKSA-N	1	0	358.486	1.931	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1	ZINC000785004200	773699908	/nfs/dbraw/zinc/69/99/08/773699908.db2.gz	WDUIBFVACQORIR-YJBOKZPZSA-N	1	0	357.454	1.826	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cccn2CC=C)C[C@H]1C	ZINC001104294114	773877965	/nfs/dbraw/zinc/87/79/65/773877965.db2.gz	WOGFSTLWXVEVRR-FGTMMUONSA-N	1	0	370.497	1.500	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104294152	773878627	/nfs/dbraw/zinc/87/86/27/773878627.db2.gz	YTGUBNADDMRGQZ-HZPDHXFCSA-N	1	0	357.458	1.002	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1cncc(C)c1)C2	ZINC001112493757	773923491	/nfs/dbraw/zinc/92/34/91/773923491.db2.gz	DNZTZKROBCPAIJ-FPOVZHCZSA-N	1	0	355.482	1.801	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)[C@H]4CC4(F)F)[C@@H]3C2)CC1	ZINC001021563111	773953808	/nfs/dbraw/zinc/95/38/08/773953808.db2.gz	BJZGXMGSSKMAOR-ARFHVFGLSA-N	1	0	365.424	1.046	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@H]21	ZINC001021593037	774134820	/nfs/dbraw/zinc/13/48/20/774134820.db2.gz	AASBPJFANGGZNO-NLWGTHIKSA-N	1	0	355.482	1.334	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)Cc2ccc3c(c2)NC(=O)C3)C[C@H]1C	ZINC001104303047	774376917	/nfs/dbraw/zinc/37/69/17/774376917.db2.gz	RDDMJWWKUUACCS-CRAIPNDOSA-N	1	0	353.466	1.821	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cscn2)C1	ZINC001104306169	774436088	/nfs/dbraw/zinc/43/60/88/774436088.db2.gz	OPAIWVBWPLZMKB-NUJGCVRESA-N	1	0	360.527	1.815	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(S(C)(=O)=O)o1	ZINC001087136258	774681278	/nfs/dbraw/zinc/68/12/78/774681278.db2.gz	PJONMANIHWLDSR-MCIONIFRSA-N	1	0	367.471	1.559	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2	ZINC000275955061	774763266	/nfs/dbraw/zinc/76/32/66/774763266.db2.gz	ZGLZRKWUIIYGQB-UHFFFAOYSA-N	1	0	371.441	1.204	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C#N)ccc2OC)[C@H](C)C1	ZINC000275965215	774767819	/nfs/dbraw/zinc/76/78/19/774767819.db2.gz	GHMGLHNSOSVXHR-CZUORRHYSA-N	1	0	358.442	1.694	20	30		FDEDRO
C=CCC[C@@H](NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccccc1	ZINC000656321718	774978869	/nfs/dbraw/zinc/97/88/69/774978869.db2.gz	GSURNTZEGMUDFH-RCCFBDPRSA-N	1	0	357.454	1.088	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CCCN(C)C(=O)C[NH+](CC)CC	ZINC001067477816	774989741	/nfs/dbraw/zinc/98/97/41/774989741.db2.gz	LYVNMOVAIYVLBN-WMZOPIPTSA-N	1	0	353.507	1.616	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C(F)F)C[C@H]1c1ccccc1	ZINC001211505849	775068018	/nfs/dbraw/zinc/06/80/18/775068018.db2.gz	FCETWXBUBLYFJX-AEGPPILISA-N	1	0	351.397	1.526	20	30		FDEDRO
CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cc(C#N)c[nH]2)C1=O	ZINC001087143749	775205647	/nfs/dbraw/zinc/20/56/47/775205647.db2.gz	MCXUTECIZPFXNS-VNQPRFMTSA-N	1	0	357.458	1.337	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(F)cc4cccnc43)[C@H]2C1	ZINC001083213927	775244354	/nfs/dbraw/zinc/24/43/54/775244354.db2.gz	ZPWPYYAJSBKCEZ-ZWKOTPCHSA-N	1	0	353.397	1.922	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H](C[NH2+]C[C@@H]2CCNC(=O)CC2)C1	ZINC001087150576	775981423	/nfs/dbraw/zinc/98/14/23/775981423.db2.gz	DXMZCCBPNZUEOP-VYDXJSESSA-N	1	0	371.485	1.633	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC=CCCC2)C[C@H]1C	ZINC001104344272	775990949	/nfs/dbraw/zinc/99/09/49/775990949.db2.gz	QYFQNNJNQFPWJW-CEXWTWQISA-N	1	0	359.514	1.947	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)NC(=O)c1cccs1)C2	ZINC001112503352	776102364	/nfs/dbraw/zinc/10/23/64/776102364.db2.gz	LXLQUVXMGJMMPO-VCBZYWHSSA-N	1	0	359.495	1.718	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C3C=CC=CC=C3)[C@@H]2C1	ZINC001021831864	776163917	/nfs/dbraw/zinc/16/39/17/776163917.db2.gz	UDLITUPXRNUESG-SLFFLAALSA-N	1	0	365.477	1.442	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21	ZINC001021899123	776549244	/nfs/dbraw/zinc/54/92/44/776549244.db2.gz	IMANVUKLNLUKNH-GBESFXJTSA-N	1	0	357.498	1.722	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)[C@H](C)C4CCC4)[C@@H]3C2)CC1	ZINC001021987020	776893018	/nfs/dbraw/zinc/89/30/18/776893018.db2.gz	GZMOQSRNUTVQSR-LSTHTHJFSA-N	1	0	371.525	1.827	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1cccc(OC)c1	ZINC001114948139	776967943	/nfs/dbraw/zinc/96/79/43/776967943.db2.gz	YQZMBKCIPVJTMY-PXTPFGJHSA-N	1	0	354.450	1.495	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001075422260	777276665	/nfs/dbraw/zinc/27/66/65/777276665.db2.gz	UOEATLGZQCTKBK-OWYHZJEWSA-N	1	0	371.456	1.492	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)cc1	ZINC001022035542	777314016	/nfs/dbraw/zinc/31/40/16/777314016.db2.gz	RDORXGGICZHWQR-VQTJNVASSA-N	1	0	365.477	1.683	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cc(=O)n(C)cc2Br)CC1	ZINC000933354609	777512465	/nfs/dbraw/zinc/51/24/65/777512465.db2.gz	IJWYFOOYNYSXQD-UHFFFAOYSA-N	1	0	366.259	1.365	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccnn2C(F)F)C1	ZINC001111759953	777521575	/nfs/dbraw/zinc/52/15/75/777521575.db2.gz	RJCLRSDEGAATMV-GUYCJALGSA-N	1	0	352.385	1.512	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1	ZINC000971570635	777688546	/nfs/dbraw/zinc/68/85/46/777688546.db2.gz	MHAJZEAHTKXQIW-RBSFLKMASA-N	1	0	353.894	1.919	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3cncn3C2)C[C@H]1C	ZINC001104367304	777936268	/nfs/dbraw/zinc/93/62/68/777936268.db2.gz	OJBWLHCBFQNZOS-KZNAEPCWSA-N	1	0	360.502	1.722	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3noc4ccc(F)cc34)[C@H]2C1	ZINC001083221740	777943529	/nfs/dbraw/zinc/94/35/29/777943529.db2.gz	QFFRVXUBBBIEDU-FUHWJXTLSA-N	1	0	359.401	1.997	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C#CC2CC2)[C@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1	ZINC001087164808	778105966	/nfs/dbraw/zinc/10/59/66/778105966.db2.gz	QBHYOBDMOXFBQY-PVAVHDDUSA-N	1	0	352.500	1.051	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2ccc(C)nn2)C1=O	ZINC001087165074	778199544	/nfs/dbraw/zinc/19/95/44/778199544.db2.gz	DWVZZYDWUYKBPE-PVAVHDDUSA-N	1	0	371.485	1.402	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)C(=O)Nc2cccc(-n3ccnc3)c2)C1	ZINC000891606309	778492066	/nfs/dbraw/zinc/49/20/66/778492066.db2.gz	FIAKMGBLOQHLHZ-INIZCTEOSA-N	1	0	351.410	1.025	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3ncc4ccccc43)[C@H]2C1	ZINC001083224528	779194550	/nfs/dbraw/zinc/19/45/50/779194550.db2.gz	DEGFOHZUTVGONV-RBUKOAKNSA-N	1	0	354.454	1.914	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+](C)C2(CO)CCOCC2)c(OC)c1	ZINC000276762877	779396569	/nfs/dbraw/zinc/39/65/69/779396569.db2.gz	JUIRJIADMDUHFE-QGZVFWFLSA-N	1	0	365.470	1.637	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(N4CCCC4)nc3)[C@H]2C1	ZINC001083225690	779426842	/nfs/dbraw/zinc/42/68/42/779426842.db2.gz	IREKCJOXRYPGNQ-ZWKOTPCHSA-N	1	0	354.454	1.230	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)C[N@H+]4CCC[C@H]4C)C[C@H]32)cc1	ZINC001022335063	779431926	/nfs/dbraw/zinc/43/19/26/779431926.db2.gz	FUXZYXSKMHUAQV-LSTHTHJFSA-N	1	0	365.477	1.825	20	30		FDEDRO
C[NH+](C)CCOc1cccc(CNC(=O)NCC#C[C@H]2CCCCO2)c1	ZINC000891816074	779552962	/nfs/dbraw/zinc/55/29/62/779552962.db2.gz	LRVMGZMUMHWVBS-GOSISDBHSA-N	1	0	359.470	1.999	20	30		FDEDRO
C#C[C@@H]1CCCCN1C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1	ZINC000891861481	779823050	/nfs/dbraw/zinc/82/30/50/779823050.db2.gz	PCYAVSSKAXPCPW-GOSISDBHSA-N	1	0	355.486	1.921	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087178942	779826334	/nfs/dbraw/zinc/82/63/34/779826334.db2.gz	XYLXJTSFISOYFH-AYOQOUSVSA-N	1	0	368.481	1.944	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CC4(C)C)[C@@H]3C2)CC1	ZINC000971845649	779939337	/nfs/dbraw/zinc/93/93/37/779939337.db2.gz	TXVZDXDKPNELKT-KZNAEPCWSA-N	1	0	357.498	1.437	20	30		FDEDRO
N#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)C45CCC[NH+]4CCC5)C[C@H]32)[nH]1	ZINC000971848510	779967248	/nfs/dbraw/zinc/96/72/48/779967248.db2.gz	YGUKNNXWSXWGNH-RHSMWYFYSA-N	1	0	367.453	1.188	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H]3NC(=O)c4ccccc43)[C@H]2C1	ZINC001083229571	779968116	/nfs/dbraw/zinc/96/81/16/779968116.db2.gz	GZSHUDBVTJLJAM-FGTMMUONSA-N	1	0	355.438	1.349	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(n3cnnn3)CCCCC1)C2	ZINC001112508070	780046071	/nfs/dbraw/zinc/04/60/71/780046071.db2.gz	MRNLGYPXNQPZRD-WMZOPIPTSA-N	1	0	358.490	1.737	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCOCC2)C1	ZINC001112508226	780204536	/nfs/dbraw/zinc/20/45/36/780204536.db2.gz	VAMGSYPYDZWCEG-JXFKEZNVSA-N	1	0	363.502	1.276	20	30		FDEDRO
COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc1C#N	ZINC001022452245	780320600	/nfs/dbraw/zinc/32/06/00/780320600.db2.gz	KSLYDLVGDAKUMG-UUKONUISSA-N	1	0	367.449	1.727	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC[C@H]1CCC[N@@H+](C)C1	ZINC000458156311	780545305	/nfs/dbraw/zinc/54/53/05/780545305.db2.gz	BPCFLOPXBPKDKC-MRXNPFEDSA-N	1	0	368.485	1.999	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O	ZINC000121681255	780943554	/nfs/dbraw/zinc/94/35/54/780943554.db2.gz	AJCKWJJDCAPPNU-ZACQAIPSSA-N	1	0	362.470	1.829	20	30		FDEDRO
C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000277173876	780984031	/nfs/dbraw/zinc/98/40/31/780984031.db2.gz	JJBWFCIIYSPIEL-WMLDXEAASA-N	1	0	357.458	1.299	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@H]21	ZINC001022566930	781170369	/nfs/dbraw/zinc/17/03/69/781170369.db2.gz	MRVSOQXXNZCVMI-KCQAQPDRSA-N	1	0	360.483	1.642	20	30		FDEDRO
C[N@H+](CCNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CC1	ZINC000277260020	781231953	/nfs/dbraw/zinc/23/19/53/781231953.db2.gz	QOXJYKDDBGQGJU-QGZVFWFLSA-N	1	0	355.442	1.053	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1c1ccccc1	ZINC001211535382	781232793	/nfs/dbraw/zinc/23/27/93/781232793.db2.gz	CEMROURPJOLECC-QILLFSRXSA-N	1	0	367.453	1.298	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)SC)C[C@H]1c1ccccc1	ZINC001211535955	781365390	/nfs/dbraw/zinc/36/53/90/781365390.db2.gz	RDIOLPVCRUYABU-BHYGNILZSA-N	1	0	359.495	1.072	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)CC1	ZINC001022589125	781387276	/nfs/dbraw/zinc/38/72/76/781387276.db2.gz	VQXNZZCMXXQSQE-RBUKOAKNSA-N	1	0	357.498	1.580	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]32)c1	ZINC001022635661	781700841	/nfs/dbraw/zinc/70/08/41/781700841.db2.gz	YVFDXISQFNQFSL-UHOSZYNNSA-N	1	0	368.481	1.322	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)n3cnc4ccccc43)[C@H]2C1	ZINC001083239230	781731487	/nfs/dbraw/zinc/73/14/87/781731487.db2.gz	ZOAVSUDFUQZCRL-ZYSHUDEJSA-N	1	0	352.438	1.532	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3O2)C[C@H]1C	ZINC001104399343	781772951	/nfs/dbraw/zinc/77/29/51/781772951.db2.gz	FGNDDTNRFYENEM-SZVBFZGTSA-N	1	0	371.481	1.367	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCN(CC(F)F)C1)C2	ZINC001112518437	783631585	/nfs/dbraw/zinc/63/15/85/783631585.db2.gz	IUMNYBQPCRYSEN-GJYPPUQNSA-N	1	0	353.457	1.815	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CC[NH2+]C34CCCC4)cc2C1=O	ZINC000648206660	783713839	/nfs/dbraw/zinc/71/38/39/783713839.db2.gz	JSEKGPBLNOWWCW-INIZCTEOSA-N	1	0	353.422	1.873	20	30		FDEDRO
N#Cc1ccccc1N1CCC(NC(=O)N2CCCO[C@@H](C[NH3+])C2)CC1	ZINC000892428594	783780669	/nfs/dbraw/zinc/78/06/69/783780669.db2.gz	FLJXVXZRNBTBBP-KRWDZBQOSA-N	1	0	357.458	1.286	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@H]1c1ccccc1	ZINC001211629431	783795121	/nfs/dbraw/zinc/79/51/21/783795121.db2.gz	QAXHMQYSLRXGNK-RBUKOAKNSA-N	1	0	353.466	1.606	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C3C=CC=CC=C3)C[C@H]21	ZINC000972835001	783902759	/nfs/dbraw/zinc/90/27/59/783902759.db2.gz	KQTWZGDNUQCJNO-HSALFYBXSA-N	1	0	365.477	1.442	20	30		FDEDRO
CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000658539187	784247162	/nfs/dbraw/zinc/24/71/62/784247162.db2.gz	SFAQQBUBSDVVSO-UHFFFAOYSA-N	1	0	362.433	1.440	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2cn(CC)nn2)C1	ZINC001024195375	784306941	/nfs/dbraw/zinc/30/69/41/784306941.db2.gz	BLZVBWWCQHITKB-SZMVWBNQSA-N	1	0	361.490	1.607	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)n1	ZINC001058573897	784341710	/nfs/dbraw/zinc/34/17/10/784341710.db2.gz	ZXGHKAYBHIQHSU-VNQPRFMTSA-N	1	0	356.474	1.336	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1c1ccccc1	ZINC001211631432	784791735	/nfs/dbraw/zinc/79/17/35/784791735.db2.gz	GBEJUSSMUOHTPA-JKSUJKDBSA-N	1	0	351.406	1.600	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1c1ccccc1	ZINC001211631619	784836455	/nfs/dbraw/zinc/83/64/55/784836455.db2.gz	IMIJFYFTAKMQHQ-FGTMMUONSA-N	1	0	360.479	1.029	20	30		FDEDRO
N#Cc1c(F)cccc1N1CCN(C(=O)N2C3CCC2(C[NH3+])CC3)CC1	ZINC000892473493	784903778	/nfs/dbraw/zinc/90/37/78/784903778.db2.gz	WDDFVPSTQAFJAO-UHFFFAOYSA-N	1	0	357.433	1.895	20	30		FDEDRO
Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1C#N	ZINC000375857823	785141558	/nfs/dbraw/zinc/14/15/58/785141558.db2.gz	QOTCOPYKARHEBE-AYHJJNSGSA-N	1	0	354.454	1.680	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COC[C@@H]2CCOC2)C[C@H]1c1ccccc1	ZINC001211682147	805657638	/nfs/dbraw/zinc/65/76/38/805657638.db2.gz	MBTFLTAIFOBUKO-YZGWKJHDSA-N	1	0	356.466	1.647	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3c(C)onc3CC)C[C@H]21	ZINC000978723163	805698914	/nfs/dbraw/zinc/69/89/14/805698914.db2.gz	XUGGGFIXZDLVDQ-QZIVSUOLSA-N	1	0	359.470	1.931	20	30		FDEDRO
Cc1c(C(=O)N2C[C@H]3CCN(C(=O)C#CC4CC4)C[C@H]32)ccc2c[nH+]cn21	ZINC000973038068	787578473	/nfs/dbraw/zinc/57/84/73/787578473.db2.gz	WQYNHBSMQXTILP-VQIMIIECSA-N	1	0	362.433	1.729	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cnc(C)cn3)C[C@H]21	ZINC000978830033	805804605	/nfs/dbraw/zinc/80/46/05/805804605.db2.gz	KCAWWIMAGZDXSP-FSGKZVOOSA-N	1	0	370.497	1.950	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]C[C@@H](C)OC)C2)nn1	ZINC001211684194	805815212	/nfs/dbraw/zinc/81/52/12/805815212.db2.gz	MZRISQSHBAWDPB-BPQIPLTHSA-N	1	0	369.469	1.697	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2	ZINC001006494558	787859989	/nfs/dbraw/zinc/85/99/89/787859989.db2.gz	NMQUKRRZKFRBAX-LIRZEXBASA-N	1	0	358.486	1.516	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNS(C)(=O)=O)C1	ZINC001104564545	787929267	/nfs/dbraw/zinc/92/92/67/787929267.db2.gz	NDCFOKUEZUTXJU-OWCLPIDISA-N	1	0	359.536	1.212	20	30		FDEDRO
C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1	ZINC000659090830	787986192	/nfs/dbraw/zinc/98/61/92/787986192.db2.gz	DKQJXWODYRSBBG-GOEBONIOSA-N	1	0	372.473	1.076	20	30		FDEDRO
[NH3+][C@@H]1CN(C(=O)C(=O)Nc2cccc(C#Cc3cccs3)c2)CC[C@H]1F	ZINC000659110345	788052577	/nfs/dbraw/zinc/05/25/77/788052577.db2.gz	CIOZQYSSXKNKDW-IAGOWNOFSA-N	1	0	371.437	1.984	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)C[NH2+]C)cc1	ZINC000659112521	788059345	/nfs/dbraw/zinc/05/93/45/788059345.db2.gz	QYMRHNTVNDALLB-AWEZNQCLSA-N	1	0	358.442	1.163	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C)nc4cc(C)nn43)[C@H]2C1	ZINC001083279134	788148412	/nfs/dbraw/zinc/14/84/12/788148412.db2.gz	KSRSAFCMFVOEAI-DLBZAZTESA-N	1	0	355.442	1.447	20	30		FDEDRO
Cc1cccc(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)c1	ZINC001104614169	788892588	/nfs/dbraw/zinc/89/25/88/788892588.db2.gz	ALLMXIUEVCFWDE-SJLPKXTDSA-N	1	0	356.470	1.252	20	30		FDEDRO
C=C(Br)C[NH2+]CC[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1C	ZINC001104627509	789023127	/nfs/dbraw/zinc/02/31/27/789023127.db2.gz	ITIPRPDKHWQNAF-ZYHUDNBSSA-N	1	0	371.279	1.722	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCCOC)C1	ZINC001104631339	789058251	/nfs/dbraw/zinc/05/82/51/789058251.db2.gz	JQIOUCSTPFRQQJ-MBOZVWFJSA-N	1	0	367.534	1.816	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2C(=O)CNC2=O)C1	ZINC001104631412	789059006	/nfs/dbraw/zinc/05/90/06/789059006.db2.gz	MFWMINLEXJDHMU-SPYBWZPUSA-N	1	0	364.490	1.215	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2occc2Cl)C[C@H]1C	ZINC001104641608	789115552	/nfs/dbraw/zinc/11/55/52/789115552.db2.gz	WRHSBDFFVVZPLT-HZSPNIEDSA-N	1	0	365.861	1.759	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2conc2CC)C[C@H]1C	ZINC001104645405	789125784	/nfs/dbraw/zinc/12/57/84/789125784.db2.gz	CLTJRRJDJHJLFB-RBSFLKMASA-N	1	0	360.458	1.063	20	30		FDEDRO
COC[C@H](OC)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccccc2C#N)C1	ZINC001104649076	789147161	/nfs/dbraw/zinc/14/71/61/789147161.db2.gz	UTKWCMGYFBOCNK-LZQZEXGQSA-N	1	0	359.470	1.794	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCc3ccnn3C)C2)c1	ZINC001104659474	789181946	/nfs/dbraw/zinc/18/19/46/789181946.db2.gz	MYTUMXNLTUEJKB-SJLPKXTDSA-N	1	0	365.481	1.727	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCN3C(=O)CCC3=O)C2)C1	ZINC001104656479	789192386	/nfs/dbraw/zinc/19/23/86/789192386.db2.gz	BTHSUNIMMYVRNM-HZPDHXFCSA-N	1	0	361.486	1.566	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)C(F)F)C[C@H]1C	ZINC001104660262	789211387	/nfs/dbraw/zinc/21/13/87/789211387.db2.gz	RWWVAMLJDPQHDA-HZSPNIEDSA-N	1	0	357.445	1.490	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3nncn3c2)C[C@H]1c1ccccc1	ZINC001211688316	805946466	/nfs/dbraw/zinc/94/64/66/805946466.db2.gz	UXZVUVAMJMCXKF-RBUKOAKNSA-N	1	0	359.433	1.950	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2C)C[C@H]1c1ccccc1	ZINC001211646717	789236525	/nfs/dbraw/zinc/23/65/25/789236525.db2.gz	HMNCIFMSLQAPPE-CEXWTWQISA-N	1	0	353.466	1.605	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccnc(-n3cccn3)c2)C[C@H]1C	ZINC001104665968	789254225	/nfs/dbraw/zinc/25/42/25/789254225.db2.gz	JCUPTZDEPTVGDQ-SJLPKXTDSA-N	1	0	351.454	1.978	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1)c1ccsc1	ZINC001104669457	789277215	/nfs/dbraw/zinc/27/72/15/789277215.db2.gz	FTLHZOYVHNLTHZ-RBSFLKMASA-N	1	0	362.499	1.566	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2nccn3ccnc23)C[C@H]1C	ZINC001104695171	789440636	/nfs/dbraw/zinc/44/06/36/789440636.db2.gz	JGSQGRSXBFGQJI-HZPDHXFCSA-N	1	0	355.442	1.067	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+]	ZINC000415076727	791341925	/nfs/dbraw/zinc/34/19/25/791341925.db2.gz	SMCNBDYWNJMZFM-AWEZNQCLSA-N	1	0	359.430	1.418	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(CC)C(=O)C2CC[NH+](C)CC2)C1	ZINC000936082898	791407210	/nfs/dbraw/zinc/40/72/10/791407210.db2.gz	IPFQIPKHAUMDNU-ROUUACIJSA-N	1	0	363.502	1.369	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CC23CCN(c2nccnc2C#N)CC3)CC[N@@H+]1C	ZINC001058655926	791708941	/nfs/dbraw/zinc/70/89/41/791708941.db2.gz	OPPQTQYNDJNAGR-UAGQMJEPSA-N	1	0	368.485	1.554	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCS(=O)(=O)C2)C[C@H]1C	ZINC001104746564	791743939	/nfs/dbraw/zinc/74/39/39/791743939.db2.gz	OILZZSJQSCKCOM-YUELXQCFSA-N	1	0	362.923	1.638	20	30		FDEDRO
[NH3+]CC1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1	ZINC000415300185	791879949	/nfs/dbraw/zinc/87/99/49/791879949.db2.gz	JDHKZLIGEKRNCZ-UHFFFAOYSA-N	1	0	362.433	1.617	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2cccc3[nH]ccc32)CC1	ZINC000636675919	806108146	/nfs/dbraw/zinc/10/81/46/806108146.db2.gz	CTSZEZMSOWGJHE-UHFFFAOYSA-N	1	0	354.454	1.941	20	30		FDEDRO
C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1	ZINC000415385795	792141018	/nfs/dbraw/zinc/14/10/18/792141018.db2.gz	OHNAYWNALZWZNM-CQSZACIVSA-N	1	0	358.442	1.893	20	30		FDEDRO
CC(C)c1ccc([C@H]([NH3+])CNC(=O)C(=O)Nc2ccc(C#N)cn2)cc1	ZINC000415391528	792165064	/nfs/dbraw/zinc/16/50/64/792165064.db2.gz	LTSHJAJYXMHWMZ-MRXNPFEDSA-N	1	0	351.410	1.831	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1	ZINC000415391323	792165137	/nfs/dbraw/zinc/16/51/37/792165137.db2.gz	LMLVEQSFAHYSME-OAHLLOKOSA-N	1	0	353.426	1.869	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)cc1C#N	ZINC000415407383	792210254	/nfs/dbraw/zinc/21/02/54/792210254.db2.gz	PNZODBYCBSREGJ-CQSZACIVSA-N	1	0	358.442	1.790	20	30		FDEDRO
CCCN(C(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C)[C@H]1CC[NH2+]C1	ZINC000415412945	792218048	/nfs/dbraw/zinc/21/80/48/792218048.db2.gz	YONHQJOPWFTIBP-HNNXBMFYSA-N	1	0	358.442	1.884	20	30		FDEDRO
C=CCN(C(=O)CCN1C(=O)CCC1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000377572905	792233512	/nfs/dbraw/zinc/23/35/12/792233512.db2.gz	LOOKTTVZSDGACM-GOSISDBHSA-N	1	0	369.465	1.815	20	30		FDEDRO
C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1	ZINC000415433361	792260178	/nfs/dbraw/zinc/26/01/78/792260178.db2.gz	HVDLUKOCTNQQBG-PWSUYJOCSA-N	1	0	366.368	1.684	20	30		FDEDRO
C[C@H]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)[C@@H](C[NH3+])C1	ZINC000415451538	792285071	/nfs/dbraw/zinc/28/50/71/792285071.db2.gz	XKGAZVQYJSAGSH-QWHCGFSZSA-N	1	0	356.405	2.474	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N[C@@H](C[NH3+])C3CCCC3)n2)c(F)c1	ZINC000415470019	792322858	/nfs/dbraw/zinc/32/28/58/792322858.db2.gz	YHWDPNJPIVYSLW-HNNXBMFYSA-N	1	0	356.405	2.522	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4scnc4C)[C@@H]3C2)C1=O	ZINC001075578257	806147030	/nfs/dbraw/zinc/14/70/30/806147030.db2.gz	PTJJVQLKSDXSOR-RRFJBIMHSA-N	1	0	360.483	1.385	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1C#N	ZINC000415568693	792547665	/nfs/dbraw/zinc/54/76/65/792547665.db2.gz	IXJVOUREYVGILG-IBGZPJMESA-N	1	0	358.442	1.790	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1	ZINC000415584068	792588396	/nfs/dbraw/zinc/58/83/96/792588396.db2.gz	SBZFSZYTGOXJLZ-ZNMIVQPWSA-N	1	0	356.426	1.481	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NCC2=CC[NH2+]CC2)ccc1OC(F)(F)F	ZINC000415595879	792657095	/nfs/dbraw/zinc/65/70/95/792657095.db2.gz	KSSFYWYGANTNPB-UHFFFAOYSA-N	1	0	368.315	1.431	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(F)c(NC(C)=O)c3)[C@H]2C1	ZINC001083288549	792876316	/nfs/dbraw/zinc/87/63/16/792876316.db2.gz	LXYKLAZDXCIGRR-ZWKOTPCHSA-N	1	0	359.401	1.333	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(NC(C)=O)ccc3F)[C@H]2C1	ZINC001083288692	792879534	/nfs/dbraw/zinc/87/95/34/792879534.db2.gz	UICZGAOJEMFQQX-ZWKOTPCHSA-N	1	0	361.417	1.885	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1	ZINC000415730392	792891663	/nfs/dbraw/zinc/89/16/63/792891663.db2.gz	UHZKUJZQBQUEKA-HXUWFJFHSA-N	1	0	370.453	1.886	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1	ZINC000415738126	792902658	/nfs/dbraw/zinc/90/26/58/792902658.db2.gz	DIFCYYCOCKOTJO-NWDGAFQWSA-N	1	0	364.352	1.166	20	30		FDEDRO
N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)c2)cc1	ZINC000415756398	792928619	/nfs/dbraw/zinc/92/86/19/792928619.db2.gz	DNYMKAPURBITEX-PIIMJCKOSA-N	1	0	362.389	1.623	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCCC[C@@H]3C)C[C@H]21	ZINC001026054266	793015077	/nfs/dbraw/zinc/01/50/77/793015077.db2.gz	LYKIVMJHXHNRNO-OUWVOHMFSA-N	1	0	361.486	1.025	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1	ZINC000415814202	793046179	/nfs/dbraw/zinc/04/61/79/793046179.db2.gz	CZDLGHLRYRUTNR-CABCVRRESA-N	1	0	356.426	1.353	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)CCC2CCOCC2)C[C@H]1C	ZINC001104752572	793073033	/nfs/dbraw/zinc/07/30/33/793073033.db2.gz	HBFOWLRHXADSRT-IEBWSBKVSA-N	1	0	350.503	1.917	20	30		FDEDRO
C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3cccc(C)c3)C2)nn1	ZINC001105342835	806218798	/nfs/dbraw/zinc/21/87/98/806218798.db2.gz	ZIXMYCFKRGRGNY-VQTJNVASSA-N	1	0	363.465	1.886	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)cc1	ZINC000415850930	793168528	/nfs/dbraw/zinc/16/85/28/793168528.db2.gz	YBCZFUKYODKZAO-INIZCTEOSA-N	1	0	358.442	1.175	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2COC(=O)C2)C1	ZINC001087425427	806220370	/nfs/dbraw/zinc/22/03/70/806220370.db2.gz	VLHMZWWSVNBAPJ-QXAKKESOSA-N	1	0	354.450	1.937	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C[NH3+]	ZINC000415855712	793191448	/nfs/dbraw/zinc/19/14/48/793191448.db2.gz	YUTUJYTZXRWBNU-PWSUYJOCSA-N	1	0	368.359	1.959	20	30		FDEDRO
N#Cc1cccc(-c2csc(NC(=O)C(=O)N[C@@H]3CCCC[NH2+]C3)n2)c1	ZINC000415871922	793264786	/nfs/dbraw/zinc/26/47/86/793264786.db2.gz	RIRZEXMTSMHCRX-CQSZACIVSA-N	1	0	369.450	1.879	20	30		FDEDRO
C[NH2+]Cc1cccc(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1	ZINC000415949585	793420997	/nfs/dbraw/zinc/42/09/97/793420997.db2.gz	ZRFNMGPYJZKXSD-AWEZNQCLSA-N	1	0	365.441	1.810	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cc(C)on3)C2)nn1	ZINC001104769562	793557034	/nfs/dbraw/zinc/55/70/34/793557034.db2.gz	ZKMNVTFMKBPNGT-UKRRQHHQSA-N	1	0	358.446	1.649	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCC[C@H](C)O)C2)nn1	ZINC001104777690	793601241	/nfs/dbraw/zinc/60/12/41/793601241.db2.gz	SPHUCPUEWNZIFD-IXDOHACOSA-N	1	0	363.506	1.703	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C[C@H]1C	ZINC001104782574	793633491	/nfs/dbraw/zinc/63/34/91/793633491.db2.gz	JHLOAZUMMIEUEG-NCXUSEDFSA-N	1	0	358.486	1.386	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)CC)C1	ZINC001104782804	793634564	/nfs/dbraw/zinc/63/45/64/793634564.db2.gz	UOYCPWMSMQKNQO-VXNCWWDNSA-N	1	0	365.518	1.520	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(C)nc(C)n2)C[C@H]1C	ZINC001104787627	793667483	/nfs/dbraw/zinc/66/74/83/793667483.db2.gz	LFZUDIKVOTXFQN-CZUORRHYSA-N	1	0	359.474	1.083	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnn3ccccc23)C[C@H]1C	ZINC001104806995	793784967	/nfs/dbraw/zinc/78/49/67/793784967.db2.gz	TWBXSMPOBVFNKC-IAGOWNOFSA-N	1	0	354.454	1.672	20	30		FDEDRO
CC(C)CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104807534	793794398	/nfs/dbraw/zinc/79/43/98/793794398.db2.gz	XPWGJWYIJPURHP-IAGOWNOFSA-N	1	0	350.507	1.917	20	30		FDEDRO
N#CCSCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOC2CCC2)C1	ZINC001112052762	793853487	/nfs/dbraw/zinc/85/34/87/793853487.db2.gz	ASDZJUNJWZNXTA-CHWSQXEVSA-N	1	0	365.421	1.791	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](C(=O)NC[C@@H]3CCC[N@H+]3CCCO)C2)c(F)c1	ZINC000452361919	793917226	/nfs/dbraw/zinc/91/72/26/793917226.db2.gz	KKRFYFKKXSNZBR-SJORKVTESA-N	1	0	374.460	1.487	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccc(OC)o2)C[C@H]1C	ZINC001104828540	793936490	/nfs/dbraw/zinc/93/64/90/793936490.db2.gz	KJAOFAIHLCNUNC-QLFBSQMISA-N	1	0	361.442	1.114	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@H]3C)CC2)c1C#N	ZINC000290722854	794041694	/nfs/dbraw/zinc/04/16/94/794041694.db2.gz	MESDAWREIIAXLA-MLGOLLRUSA-N	1	0	374.514	1.638	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1	ZINC000378412863	794103581	/nfs/dbraw/zinc/10/35/81/794103581.db2.gz	SDBQXMFUKXMNTJ-DLBZAZTESA-N	1	0	360.502	1.862	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCC[C@H]2Cn2cccn2)CC1	ZINC000378425978	794112770	/nfs/dbraw/zinc/11/27/70/794112770.db2.gz	GQCKCROAKJRSRQ-RBUKOAKNSA-N	1	0	372.517	1.430	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc3c([nH]2)CCCC3)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104878142	794176565	/nfs/dbraw/zinc/17/65/65/794176565.db2.gz	AZFKLEJXCXHYCG-GDBMZVCRSA-N	1	0	371.485	1.221	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(NC(C)=O)c(F)c3)[C@H]2C1	ZINC001083292942	794192948	/nfs/dbraw/zinc/19/29/48/794192948.db2.gz	FHYVILVENVDMOI-ZWKOTPCHSA-N	1	0	361.417	1.885	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C	ZINC001104879429	794193595	/nfs/dbraw/zinc/19/35/95/794193595.db2.gz	IVKFKWMQEGPWPN-IXDOHACOSA-N	1	0	354.516	1.299	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCCN2C(N)=O)C[C@H]1C	ZINC001104895576	794277901	/nfs/dbraw/zinc/27/79/01/794277901.db2.gz	AMUKTLRYTLRTSO-BRWVUGGUSA-N	1	0	350.507	1.960	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1	ZINC001058810117	806321044	/nfs/dbraw/zinc/32/10/44/806321044.db2.gz	HQZMHRIMVLKQRH-NRSFXHEJSA-N	1	0	353.470	1.782	20	30		FDEDRO
C[C@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1)c1ccco1	ZINC001104916916	794366940	/nfs/dbraw/zinc/36/69/40/794366940.db2.gz	KNRZHYKPWPPKDV-BZUAXINKSA-N	1	0	360.458	1.487	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(=O)[nH]c4c3CCCC4)[C@H]2C1	ZINC001083293412	794377512	/nfs/dbraw/zinc/37/75/12/794377512.db2.gz	CFWBYHCMTRSNGU-ZWKOTPCHSA-N	1	0	355.438	1.215	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCC=C)C1	ZINC001104921535	794403705	/nfs/dbraw/zinc/40/37/05/794403705.db2.gz	HBAUZXKGNKIJES-QZTJIDSGSA-N	1	0	371.481	1.984	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C(C)C)C2)nc1	ZINC001104924454	794421452	/nfs/dbraw/zinc/42/14/52/794421452.db2.gz	NJFMEHZTXPSQCI-SJLPKXTDSA-N	1	0	370.497	1.618	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2occ3c2CCCC3)C[C@H]1C	ZINC001104951695	794543011	/nfs/dbraw/zinc/54/30/11/794543011.db2.gz	IMNPMXHAGKKAPX-HZPDHXFCSA-N	1	0	371.481	1.596	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cc3c(cn2)nc[nH]c3=O)C[C@H]1C	ZINC001104961471	794589426	/nfs/dbraw/zinc/58/94/26/794589426.db2.gz	FYKZFEQMNZHLTF-ZIAGYGMSSA-N	1	0	353.426	1.442	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC)C2)CCOCC1	ZINC001104960558	794597131	/nfs/dbraw/zinc/59/71/31/794597131.db2.gz	YTDXNJUNWUTDEM-IXDOHACOSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1C	ZINC001104965117	794612217	/nfs/dbraw/zinc/61/22/17/794612217.db2.gz	XKBWTBJIZLRRGH-BZUAXINKSA-N	1	0	359.536	1.307	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1	ZINC000974182080	794648965	/nfs/dbraw/zinc/64/89/65/794648965.db2.gz	RVYFXVWDPPAIQV-ADHGMGHFSA-N	1	0	363.502	1.605	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	ZINC000511586528	794675149	/nfs/dbraw/zinc/67/51/49/794675149.db2.gz	RPHATUUQCNZUDN-IAGOWNOFSA-N	1	0	362.474	1.797	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCc2cccs2)C[C@H]1C	ZINC001104995789	794788536	/nfs/dbraw/zinc/78/85/36/794788536.db2.gz	BUKDHFGDZOODCS-HZPDHXFCSA-N	1	0	361.511	1.504	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2c(C)noc2CC)C[C@H]1C	ZINC001104996322	794795723	/nfs/dbraw/zinc/79/57/23/794795723.db2.gz	FSKFXRZGZYJGGT-UKRRQHHQSA-N	1	0	362.474	1.535	20	30		FDEDRO
CC(C)C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC001105001403	794841213	/nfs/dbraw/zinc/84/12/13/794841213.db2.gz	HUXOCPFRUHVZRI-IIAWOOMASA-N	1	0	360.462	1.010	20	30		FDEDRO
Cc1cc(NC[C@H](CC(C)C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C#N)cn1	ZINC001105003196	794849738	/nfs/dbraw/zinc/84/97/38/794849738.db2.gz	OXYKNFKPWGNBJY-BPQIPLTHSA-N	1	0	357.502	1.967	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2CCC=CCC2)C[C@H]1C	ZINC001105023568	794960777	/nfs/dbraw/zinc/96/07/77/794960777.db2.gz	VWPWWFQOUAZFFA-ZHALLVOQSA-N	1	0	359.514	1.945	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)CCNC(=O)c2cnccn2)C[C@H]1C	ZINC001105031275	794981267	/nfs/dbraw/zinc/98/12/67/794981267.db2.gz	NVMICSUULXEXSI-HZPDHXFCSA-N	1	0	359.474	1.247	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3c[nH]nc3C2)C[C@H]1C	ZINC001105037079	795017353	/nfs/dbraw/zinc/01/73/53/795017353.db2.gz	IWRPKZBBIYJMGR-SOLBZPMBSA-N	1	0	358.486	1.239	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C	ZINC001105045053	795052562	/nfs/dbraw/zinc/05/25/62/795052562.db2.gz	LQTQTMJZDORFCW-UYAOXDASSA-N	1	0	367.493	1.805	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCCn2cccc2)C[C@H]1C	ZINC001105050003	795065561	/nfs/dbraw/zinc/06/55/61/795065561.db2.gz	HTTKKLJJENWUGB-QZTJIDSGSA-N	1	0	360.502	1.645	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)NCc2ccco2)C[C@H]1C	ZINC001105059209	795092625	/nfs/dbraw/zinc/09/26/25/795092625.db2.gz	PTBHOWCPTHBJSG-HZPDHXFCSA-N	1	0	362.474	1.729	20	30		FDEDRO
Cc1ccc(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)s1	ZINC001105060439	795101612	/nfs/dbraw/zinc/10/16/12/795101612.db2.gz	BISBYJGHFQJUBR-UKRRQHHQSA-N	1	0	362.499	1.313	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC(=O)N(C)C2)C[C@H]1C	ZINC001105070481	795144118	/nfs/dbraw/zinc/14/41/18/795144118.db2.gz	LVLFZGDFYOYPBG-ZACQAIPSSA-N	1	0	351.491	1.132	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC3CCC2CC3)C[C@H]1C	ZINC001105075456	795153581	/nfs/dbraw/zinc/15/35/81/795153581.db2.gz	GAMLTVWJRDRLGK-VVUWUOFOSA-N	1	0	359.514	1.636	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2c(C)nsc2C)C[C@H]1C	ZINC001105076268	795165422	/nfs/dbraw/zinc/16/54/22/795165422.db2.gz	SHNSYWAVLVYLNA-IUODEOHRSA-N	1	0	362.499	1.197	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc(C3CC3)c2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001105075971	795171717	/nfs/dbraw/zinc/17/17/17/795171717.db2.gz	BSSAYPNSZORGLB-DNVCBOLYSA-N	1	0	368.481	1.892	20	30		FDEDRO
C=CCc1cc(CNC(=O)NC[C@H]2C[NH2+]CCN2C)cc(OC)c1OC	ZINC000417381043	795174610	/nfs/dbraw/zinc/17/46/10/795174610.db2.gz	HYPLKAQYBNKXLW-MRXNPFEDSA-N	1	0	362.474	1.135	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C[C@H]1C	ZINC001105086918	795212381	/nfs/dbraw/zinc/21/23/81/795212381.db2.gz	RVDMUVPGCLVOSE-BEZDPQFQSA-N	1	0	371.525	1.491	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC(C)C)C1	ZINC001105089952	795232403	/nfs/dbraw/zinc/23/24/03/795232403.db2.gz	CCKQIUMRCZXVSV-IAGOWNOFSA-N	1	0	353.507	1.426	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnc(C)n2CC)C1	ZINC001105090364	795235157	/nfs/dbraw/zinc/23/51/57/795235157.db2.gz	SHTGXENFBKFWNK-BFYDXBDKSA-N	1	0	363.506	1.772	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNC(=O)C2CC2)C1	ZINC001105091307	795240440	/nfs/dbraw/zinc/24/04/40/795240440.db2.gz	YRFKDZIKISVBMK-HLLBOEOZSA-N	1	0	351.491	1.178	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)c2ccnc(-n3cncn3)c2)C[C@H]1C	ZINC001105105600	795305052	/nfs/dbraw/zinc/30/50/52/795305052.db2.gz	YMTZRMSJBIWRTF-NVXWUHKLSA-N	1	0	354.458	1.926	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)COC[C@H]2CCCO2)C[C@H]1C	ZINC001105110855	795319888	/nfs/dbraw/zinc/31/98/88/795319888.db2.gz	ANVRKOLBDOVHAG-KZNAEPCWSA-N	1	0	354.491	1.459	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cccc3nnn(C)c32)C[C@H]1C	ZINC001105119794	795344677	/nfs/dbraw/zinc/34/46/77/795344677.db2.gz	BRUWAOUPVDZRSJ-HZPDHXFCSA-N	1	0	369.469	1.306	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CC[C@]2(C)CCC(=O)N2)C[C@H]1C	ZINC001105119904	795345304	/nfs/dbraw/zinc/34/53/04/795345304.db2.gz	HCXXELCMZUEHOV-HLIPFELVSA-N	1	0	365.518	1.712	20	30		FDEDRO
C=CC[N@@H+](CCN1CCO[C@@H](C)C1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000500099759	795489915	/nfs/dbraw/zinc/48/99/15/795489915.db2.gz	QUWYAWCYTCCMSA-DLBZAZTESA-N	1	0	356.474	1.932	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH+]2CCC3(CC2)OCc2ccccc23)CC1	ZINC000759785084	795586676	/nfs/dbraw/zinc/58/66/76/795586676.db2.gz	FYTADJCNTBDYQN-UHFFFAOYSA-N	1	0	353.466	1.285	20	30		FDEDRO
C=CCN(C(=O)N[C@@H](C)C(=O)N(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000364281211	795590296	/nfs/dbraw/zinc/59/02/96/795590296.db2.gz	UAAWQCSVEXYSHO-FUHWJXTLSA-N	1	0	358.486	1.935	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)nn2)C[C@H]1C(F)(F)F	ZINC001112097402	795886293	/nfs/dbraw/zinc/88/62/93/795886293.db2.gz	CLNNFNMBDAYSEY-TZMCWYRMSA-N	1	0	358.364	1.580	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CCN(C(=O)NC[C@H]([NH3+])c3ccccc3)C2)nc1	ZINC000418453382	795941507	/nfs/dbraw/zinc/94/15/07/795941507.db2.gz	PBMVJHHQPUFBSA-IRXDYDNUSA-N	1	0	351.410	1.816	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21	ZINC000974482625	796048567	/nfs/dbraw/zinc/04/85/67/796048567.db2.gz	VRJZUPMBGFPBBE-CEXWTWQISA-N	1	0	357.498	1.580	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1	ZINC000979848969	806538243	/nfs/dbraw/zinc/53/82/43/806538243.db2.gz	CHDCYLKYMWXUJS-DWRORGKVSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CCC[NH2+]1	ZINC000662460568	806684096	/nfs/dbraw/zinc/68/40/96/806684096.db2.gz	BAYSZFXLFPMAAZ-FQEVSTJZSA-N	1	0	357.454	1.474	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCC(C(=O)NCCCOCC)CC2)CCC[NH2+]1	ZINC000662482678	806734589	/nfs/dbraw/zinc/73/45/89/806734589.db2.gz	DEYYURKGDZALFU-IBGZPJMESA-N	1	0	351.491	1.466	20	30		FDEDRO
C#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1	ZINC001087428302	806752064	/nfs/dbraw/zinc/75/20/64/806752064.db2.gz	XOHFQCMYSIAVDB-NXWXRZEISA-N	1	0	353.466	1.509	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]3C2)cc1	ZINC000974601284	799878800	/nfs/dbraw/zinc/87/88/00/799878800.db2.gz	OODIMCPLRCFLIG-CEXWTWQISA-N	1	0	353.466	1.681	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnnn2C(C)C)C1	ZINC001026850675	799994014	/nfs/dbraw/zinc/99/40/14/799994014.db2.gz	BSHVIBYPAVLCIN-XHSDSOJGSA-N	1	0	362.478	1.173	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccccc3C#N)C2)C1	ZINC001026851047	799996477	/nfs/dbraw/zinc/99/64/77/799996477.db2.gz	IQWFDDOSLDIBCN-IIDMSEBBSA-N	1	0	354.454	1.411	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]32)nc1	ZINC000974668110	800022343	/nfs/dbraw/zinc/02/23/43/800022343.db2.gz	JDJURXVRMAUMAE-QRQLOZEOSA-N	1	0	368.481	1.322	20	30		FDEDRO
N#CCOc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@]34C[C@H]3COC4)C2)cc1	ZINC001026854290	800031616	/nfs/dbraw/zinc/03/16/16/800031616.db2.gz	FSAQRSLXCMFIRG-UWVAXJGDSA-N	1	0	355.438	1.564	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)C[N@H+]4CC[C@H](C)C4)C[C@H]32)cn1	ZINC000974670865	800052624	/nfs/dbraw/zinc/05/26/24/800052624.db2.gz	OVSCYIFODMMAPL-KVSKMBFKSA-N	1	0	366.465	1.078	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C(C)(C)C1	ZINC000974684249	800082899	/nfs/dbraw/zinc/08/28/99/800082899.db2.gz	GZODFPVXJUNGPD-GUDVDZBRSA-N	1	0	356.466	1.993	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1CN(Cc2ccc(C#N)s2)CC1(C)C	ZINC000974694213	800104289	/nfs/dbraw/zinc/10/42/89/800104289.db2.gz	SIZFLVOIGAYNTM-RCBQFDQVSA-N	1	0	363.483	1.750	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CCC[N@H+]4C)C[C@H]32)cc1	ZINC000974709304	800147495	/nfs/dbraw/zinc/14/74/95/800147495.db2.gz	ZVUKUQUXKIBMCH-GUDVDZBRSA-N	1	0	351.450	1.435	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)cc1	ZINC000662516608	806816981	/nfs/dbraw/zinc/81/69/81/806816981.db2.gz	DTILVPXKZORBTQ-INIZCTEOSA-N	1	0	368.441	1.761	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CN(C(C)C)CCO3)[C@@H]2C1	ZINC000974866270	800433919	/nfs/dbraw/zinc/43/39/19/800433919.db2.gz	DLKCZVIIQSIAIB-BRWVUGGUSA-N	1	0	363.502	1.367	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)s1	ZINC001027067954	800654587	/nfs/dbraw/zinc/65/45/87/800654587.db2.gz	GXLBBJWXISDEQF-MJBXVCDLSA-N	1	0	360.483	1.459	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C(C)(C)C1	ZINC000975030875	800785533	/nfs/dbraw/zinc/78/55/33/800785533.db2.gz	MWGVXVWSSAZEFV-GVDBMIGSSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cnnn2CC)C1	ZINC001027113409	800977224	/nfs/dbraw/zinc/97/72/24/800977224.db2.gz	AHAYHKCZZXVKOI-SZMVWBNQSA-N	1	0	361.490	1.607	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2snnc2C)C1	ZINC001027116421	801006091	/nfs/dbraw/zinc/00/60/91/801006091.db2.gz	AKBRLIRDALUDPE-DZKIICNBSA-N	1	0	350.488	1.766	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1	ZINC000975318202	801132558	/nfs/dbraw/zinc/13/25/58/801132558.db2.gz	OVYMWTBPUWPXPL-KURKYZTESA-N	1	0	363.502	1.418	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1	ZINC000975323633	801146772	/nfs/dbraw/zinc/14/67/72/801146772.db2.gz	UOZPXYHTDGRUOX-BMGDILEWSA-N	1	0	358.486	1.327	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4C[C@H]4CC)[C@@H]3C2)CC1	ZINC000975341008	801167521	/nfs/dbraw/zinc/16/75/21/801167521.db2.gz	KDBPYZBFMUCBFL-NXWXRZEISA-N	1	0	357.498	1.437	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)C4CCC4)C[C@@H]32)CC1	ZINC000975444540	801328726	/nfs/dbraw/zinc/32/87/26/801328726.db2.gz	HCVQQEMPZPIDQK-LPHOPBHVSA-N	1	0	357.498	1.581	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1	ZINC000660732746	801345287	/nfs/dbraw/zinc/34/52/87/801345287.db2.gz	KGIRIZJWVOBAEF-UHFFFAOYSA-N	1	0	368.437	1.581	20	30		FDEDRO
C=CC[C@@]1(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCOCC2)CCC[NH2+]1	ZINC000662662004	806932134	/nfs/dbraw/zinc/93/21/34/806932134.db2.gz	LRLKFRKCYODPEQ-CTNGQTDRSA-N	1	0	373.497	1.883	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000660866134	801874568	/nfs/dbraw/zinc/87/45/68/801874568.db2.gz	WOEBGSBHLCPHRE-QYZOEREBSA-N	1	0	364.534	1.827	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)/C(C)=C/C)[C@H]3C2)CC1	ZINC000975754564	802209368	/nfs/dbraw/zinc/20/93/68/802209368.db2.gz	NZLLCOBLHFJWQO-YJUPEYIVSA-N	1	0	357.498	1.747	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)C(C)(F)F)[C@H]3C2)CC1	ZINC000975754849	802268555	/nfs/dbraw/zinc/26/85/55/802268555.db2.gz	RIHXIXUPFDEYEB-HOCLYGCPSA-N	1	0	367.440	1.436	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)[C@@H](F)CC)C[C@@H]32)CC1	ZINC000975881540	802658851	/nfs/dbraw/zinc/65/88/51/802658851.db2.gz	VWJHWKKMAFAGIF-SZMVWBNQSA-N	1	0	363.477	1.529	20	30		FDEDRO
C=CC[C@H]1CC[C@H]([NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)C1	ZINC000651720160	802794767	/nfs/dbraw/zinc/79/47/67/802794767.db2.gz	RTTXTTUSLYHRPI-HOCLYGCPSA-N	1	0	352.504	1.908	20	30		FDEDRO
C=CC[C@]1(C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)CCC[NH2+]1	ZINC000662799363	803303365	/nfs/dbraw/zinc/30/33/65/803303365.db2.gz	JLAYESFGQNIIKT-GOSISDBHSA-N	1	0	363.483	1.541	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)C1	ZINC000976538743	803489738	/nfs/dbraw/zinc/48/97/38/803489738.db2.gz	HTZCGGDZBBLAQH-NUEKZKHPSA-N	1	0	357.458	1.385	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC000976539290	803491029	/nfs/dbraw/zinc/49/10/29/803491029.db2.gz	NHGKSBWRLXJFSM-BVIKNXMNSA-N	1	0	371.485	1.774	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@H]21	ZINC000976593108	803584976	/nfs/dbraw/zinc/58/49/76/803584976.db2.gz	ZSOYFFGITFDBGG-OUWVOHMFSA-N	1	0	361.486	1.025	20	30		FDEDRO
CCOC(=O)[C@H]1NCC[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1	ZINC000423059515	814948647	/nfs/dbraw/zinc/94/86/47/814948647.db2.gz	MGBUUHGWNDQCMN-BACDZXNISA-N	1	0	358.442	1.526	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC(C[NH2+]C)CC1	ZINC000423122954	814966195	/nfs/dbraw/zinc/96/61/95/814966195.db2.gz	KITSTXVEJQBAPC-UHFFFAOYSA-N	1	0	356.470	1.755	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1	ZINC000423128285	814968045	/nfs/dbraw/zinc/96/80/45/814968045.db2.gz	QATJPWRQKIRYBU-KRWDZBQOSA-N	1	0	356.470	1.884	20	30		FDEDRO
CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000423151906	814975790	/nfs/dbraw/zinc/97/57/90/814975790.db2.gz	KTPVDOZXMYGCQP-UHFFFAOYSA-N	1	0	372.469	1.371	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1	ZINC000423209978	814993409	/nfs/dbraw/zinc/99/34/09/814993409.db2.gz	GMYUQLUHVKJYMC-ZFWWWQNUSA-N	1	0	360.414	1.305	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C[C@H]21	ZINC000977218272	804565843	/nfs/dbraw/zinc/56/58/43/804565843.db2.gz	XFBKOMFHPGBVQH-ZMSHIADSSA-N	1	0	361.486	1.025	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H]2CN(C)C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC000977605545	804859113	/nfs/dbraw/zinc/85/91/13/804859113.db2.gz	RJVRXQLVDPMWRJ-YQQAZPJKSA-N	1	0	357.458	1.290	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1CCOC	ZINC000504057125	815047274	/nfs/dbraw/zinc/04/72/74/815047274.db2.gz	VBXMWYDAULAHOE-KRWDZBQOSA-N	1	0	359.470	1.971	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@@H](C)C(=O)NC(N)=O)C2)C1	ZINC001112527170	805136150	/nfs/dbraw/zinc/13/61/50/805136150.db2.gz	QUOQTGFTPMLLHG-NJSLBKSFSA-N	1	0	362.474	1.144	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1c1ccccc1	ZINC001211674704	805153494	/nfs/dbraw/zinc/15/34/94/805153494.db2.gz	HDHMNVDLBGACRD-RBUKOAKNSA-N	1	0	353.470	1.908	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCC(=O)N2)C[C@H]1c1ccccc1	ZINC001211675460	805209240	/nfs/dbraw/zinc/20/92/40/805209240.db2.gz	RSOAQZMKAHRAKL-IPMKNSEASA-N	1	0	353.466	1.653	20	30		FDEDRO
N#C[C@H]1CN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CCN1Cc1ccccc1	ZINC000418593604	806990092	/nfs/dbraw/zinc/99/00/92/806990092.db2.gz	MIVBEPHGBAWLRN-OALUTQOASA-N	1	0	355.486	1.923	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1	ZINC000980579508	807078806	/nfs/dbraw/zinc/07/88/06/807078806.db2.gz	RODXTPFNKFPVOW-VQHPVUNQSA-N	1	0	361.486	1.217	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1	ZINC000423533521	815105564	/nfs/dbraw/zinc/10/55/64/815105564.db2.gz	XSBSSLVOXFRIKN-MKXGPGLRSA-N	1	0	366.465	1.353	20	30		FDEDRO
C[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1	ZINC000423519719	815109790	/nfs/dbraw/zinc/10/97/90/815109790.db2.gz	DNFIWIWRNWVWGH-MSOLQXFVSA-N	1	0	354.454	1.495	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1	ZINC000981111063	807567948	/nfs/dbraw/zinc/56/79/48/807567948.db2.gz	CASNYKCURKIPNA-YXJHDRRASA-N	1	0	371.485	1.775	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@]2(C)CC[NH2+]C2)cc1	ZINC000663584604	807774945	/nfs/dbraw/zinc/77/49/45/807774945.db2.gz	QIAYHOPLYIPZFH-INIZCTEOSA-N	1	0	352.460	1.367	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C[C@@H](O)COc1ccc(C#N)cc1	ZINC000278959929	807920504	/nfs/dbraw/zinc/92/05/04/807920504.db2.gz	ZYYIOUWQSIPUAU-QFBILLFUSA-N	1	0	359.470	1.483	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C[C@H](O)COc1ccc(C#N)cc1	ZINC000278959926	807920608	/nfs/dbraw/zinc/92/06/08/807920608.db2.gz	ZYYIOUWQSIPUAU-LPHOPBHVSA-N	1	0	359.470	1.483	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1	ZINC000981379765	807983451	/nfs/dbraw/zinc/98/34/51/807983451.db2.gz	UHGHQIRRCSBEJT-YESZJQIVSA-N	1	0	358.486	1.641	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1	ZINC000981549257	808133875	/nfs/dbraw/zinc/13/38/75/808133875.db2.gz	WGBRPCBXEJFTDF-HDMKZQKVSA-N	1	0	371.485	1.775	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)COCc2nncn2C)C[C@H]1c1ccccc1	ZINC001211700511	808299405	/nfs/dbraw/zinc/29/94/05/808299405.db2.gz	GJGQRTLEPILQHN-ZWKOTPCHSA-N	1	0	369.469	1.492	20	30		FDEDRO
CN(CCOCc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1	ZINC000423688469	815206877	/nfs/dbraw/zinc/20/68/77/815206877.db2.gz	XJPPQYMDEBDHAF-KRWDZBQOSA-N	1	0	372.469	1.121	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccnc(F)c4)[C@@H]3C2)C1=O	ZINC001075605373	808878997	/nfs/dbraw/zinc/87/89/97/808878997.db2.gz	ZVEAFMVDWVXIMR-HRCADAONSA-N	1	0	358.417	1.154	20	30		FDEDRO
Cc1cccc(C(=O)N[C@@H]2CN(Cc3ccc(F)c(C#N)c3)C[C@@H]2O)c1	ZINC001083321792	808917979	/nfs/dbraw/zinc/91/79/79/808917979.db2.gz	CGEMQBBSCKOYEV-MOPGFXCFSA-N	1	0	353.397	1.981	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C(=O)NC)cc2)CC1	ZINC000981992682	808942301	/nfs/dbraw/zinc/94/23/01/808942301.db2.gz	BVLXJOQLBXUZGR-MOPGFXCFSA-N	1	0	371.481	1.672	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000279365375	808949539	/nfs/dbraw/zinc/94/95/39/808949539.db2.gz	VWNSPZJQUFKDMV-ZDUSSCGKSA-N	1	0	374.416	1.348	20	30		FDEDRO
CC[NH+]=C(NCCc1ccc(F)cc1)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261630429	809072222	/nfs/dbraw/zinc/07/22/22/809072222.db2.gz	CHNIQEBPPAPNLC-UHFFFAOYSA-N	1	0	372.448	1.416	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2nnnc2C(C)C)C1	ZINC001087439147	809075215	/nfs/dbraw/zinc/07/52/15/809075215.db2.gz	HIPIKYAVNFYNSK-QZTJIDSGSA-N	1	0	368.485	1.957	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000418612392	809076782	/nfs/dbraw/zinc/07/67/82/809076782.db2.gz	IVEYEEBSVICBPI-OAHLLOKOSA-N	1	0	369.391	1.536	20	30		FDEDRO
C[C@H]([NH3+])[C@H](C)NC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000418691332	809136594	/nfs/dbraw/zinc/13/65/94/809136594.db2.gz	DPSIHZLCLMNNDQ-KBPBESRZSA-N	1	0	352.442	1.674	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCCN(C)C(C)=O)C[C@H]1c1ccccc1	ZINC001211715682	809143775	/nfs/dbraw/zinc/14/37/75/809143775.db2.gz	JFAWOZFUKJMXIN-VQTJNVASSA-N	1	0	355.482	1.852	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCO)C2)CCOCC1	ZINC001211715834	809146166	/nfs/dbraw/zinc/14/61/66/809146166.db2.gz	SEVAKKXLVWLNBF-RBUKOAKNSA-N	1	0	358.482	1.936	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000437707849	809157381	/nfs/dbraw/zinc/15/73/81/809157381.db2.gz	WEXSXBNHRRMBHP-QAPCUYQASA-N	1	0	366.506	1.210	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1	ZINC000418739575	809178703	/nfs/dbraw/zinc/17/87/03/809178703.db2.gz	YXJSRIFKKAZEHY-QLFBSQMISA-N	1	0	357.462	1.086	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc4c(c3)CCC(=O)N4C)C[C@H]21	ZINC001075621381	809188995	/nfs/dbraw/zinc/18/89/95/809188995.db2.gz	YMLGRNWVWYZWEI-DKSSEZFCSA-N	1	0	366.465	1.788	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)C[C@H]1c1ccccc1	ZINC001211718500	809220453	/nfs/dbraw/zinc/22/04/53/809220453.db2.gz	QEHJEUZWNVBIES-GVDBMIGSSA-N	1	0	370.453	1.135	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C2CCN(C(N)=O)CC2)C[C@H]1c1ccccc1	ZINC001211720339	809258710	/nfs/dbraw/zinc/25/87/10/809258710.db2.gz	FVZWTGPACXKXMQ-RBUKOAKNSA-N	1	0	370.497	1.937	20	30		FDEDRO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2	ZINC000419055803	809496267	/nfs/dbraw/zinc/49/62/67/809496267.db2.gz	KDEFKVNHLVSLJS-SFHVURJKSA-N	1	0	355.482	1.892	20	30		FDEDRO
O=C(NCC#Cc1cccc(C(F)(F)F)c1)C(=O)NCC[C@H]1CC[NH2+]C1	ZINC000419115108	809586957	/nfs/dbraw/zinc/58/69/57/809586957.db2.gz	NHWUEIHTXYWBLU-CQSZACIVSA-N	1	0	367.371	1.289	20	30		FDEDRO
CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@H]([NH3+])CCCC#N	ZINC000424078106	815305114	/nfs/dbraw/zinc/30/51/14/815305114.db2.gz	PPTIPOCHRRSZIK-CQSZACIVSA-N	1	0	360.414	1.266	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H](C)C2CC2)C[C@H]1c1ccccc1	ZINC001211732432	809786078	/nfs/dbraw/zinc/78/60/78/809786078.db2.gz	HGQHRJIYICJRLJ-LSTHTHJFSA-N	1	0	367.493	1.756	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CN(CC)CCO2)C1	ZINC001087444008	809806958	/nfs/dbraw/zinc/80/69/58/809806958.db2.gz	RLTKDVIYHDCZMZ-VAMGGRTRSA-N	1	0	357.498	1.867	20	30		FDEDRO
COC(=O)[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)[C@H]([NH3+])CCCC#N	ZINC000424156898	815320087	/nfs/dbraw/zinc/32/00/87/815320087.db2.gz	RMTGMPAPDKMVGS-GDBMZVCRSA-N	1	0	360.389	1.528	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)cn2)C[C@H]1c1ccccc1	ZINC001211733894	809902869	/nfs/dbraw/zinc/90/28/69/809902869.db2.gz	GJULWDMCURIDFC-PKOBYXMFSA-N	1	0	362.433	1.402	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)C[C@H]1c1ccccc1	ZINC001211744093	809957601	/nfs/dbraw/zinc/95/76/01/809957601.db2.gz	SBDHIJHTUDSHMD-IXDOHACOSA-N	1	0	355.438	1.200	20	30		FDEDRO
C=CCN(C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)[C@H](C)COC	ZINC000663916863	810026825	/nfs/dbraw/zinc/02/68/25/810026825.db2.gz	QZOCDZAFAIXKEW-HZPDHXFCSA-N	1	0	354.495	1.162	20	30		FDEDRO
Cc1c(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)nnn1C	ZINC001075640715	810128910	/nfs/dbraw/zinc/12/89/10/810128910.db2.gz	XTMCNKMLONQZNM-DLBZAZTESA-N	1	0	350.426	1.342	20	30		FDEDRO
COCC#CCN[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C(F)(F)F	ZINC001112122648	810161181	/nfs/dbraw/zinc/16/11/81/810161181.db2.gz	ZFNKIFQCBVVDSK-KFWWJZLASA-N	1	0	361.408	1.099	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1	ZINC001087457597	810203399	/nfs/dbraw/zinc/20/33/99/810203399.db2.gz	IOKDODSKMBBHLH-IXDOHACOSA-N	1	0	360.433	1.357	20	30		FDEDRO
C[C@@H]1COCC[C@H]1[NH2+]CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000433153053	810228439	/nfs/dbraw/zinc/22/84/39/810228439.db2.gz	UXFQBPISNITFBU-ATZDWAIDSA-N	1	0	374.460	1.549	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001087457969	810235801	/nfs/dbraw/zinc/23/58/01/810235801.db2.gz	APIQAXXXOIGVDL-ZJPYXAASSA-N	1	0	359.445	1.797	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@H](NC(C)=O)C1	ZINC000669335148	810313845	/nfs/dbraw/zinc/31/38/45/810313845.db2.gz	JPPTUTGUCRREJI-BBWFWOEESA-N	1	0	374.489	1.105	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)cc1	ZINC000419289564	810329133	/nfs/dbraw/zinc/32/91/33/810329133.db2.gz	QHVHCJZGOSVVGH-UHFFFAOYSA-N	1	0	366.465	1.444	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@]3(C)CN(C(=O)[C@@H]4C[C@H]4C4CC4)C[C@@]3(C)C2)C1=O	ZINC000982634530	810668296	/nfs/dbraw/zinc/66/82/96/810668296.db2.gz	MHVPZBIIBKDZNW-DBQOQBPJSA-N	1	0	371.525	1.990	20	30		FDEDRO
CN(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@H]1CCC[N@H+](C)C1	ZINC000894184051	810855015	/nfs/dbraw/zinc/85/50/15/810855015.db2.gz	DKEWZEXURPQVIS-ILXRZTDVSA-N	1	0	365.478	1.481	20	30		FDEDRO
CN(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@H]1CCC[N@H+](C)C1	ZINC000894184052	810855089	/nfs/dbraw/zinc/85/50/89/810855089.db2.gz	DKEWZEXURPQVIS-KKUMJFAQSA-N	1	0	365.478	1.481	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@@H+](CCO[C@H]4CC4(F)F)C[C@H]32)c1	ZINC001075658457	810907634	/nfs/dbraw/zinc/90/76/34/810907634.db2.gz	DBUGIVMVXMUFHJ-CFVMTHIKSA-N	1	0	350.369	1.457	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCN(C5CCC5)C4=O)C[C@H]32)c1	ZINC001075658575	810908521	/nfs/dbraw/zinc/90/85/21/810908521.db2.gz	IYVNNHJZNZISOF-BMGDILEWSA-N	1	0	367.453	1.186	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCc4ccoc4)[C@@H]3C2)C1=O	ZINC001075669684	811073036	/nfs/dbraw/zinc/07/30/36/811073036.db2.gz	CYHSCPXXJMPUSP-RCCFBDPRSA-N	1	0	357.454	1.532	20	30		FDEDRO
N#CCSc1ccccc1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000729359447	811184061	/nfs/dbraw/zinc/18/40/61/811184061.db2.gz	FMYMEPQCEJPXQX-CQSZACIVSA-N	1	0	360.483	1.619	20	30		FDEDRO
C=CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2COC(=O)N2)C1	ZINC001087464350	811200741	/nfs/dbraw/zinc/20/07/41/811200741.db2.gz	DPXDNESRTKBHOQ-ZACQAIPSSA-N	1	0	361.417	1.784	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCc4ccccc43)C[C@@H]2O)c1	ZINC001083392602	811208822	/nfs/dbraw/zinc/20/88/22/811208822.db2.gz	QOLIWSWGPHGHAK-DBVUQKKJSA-N	1	0	364.449	1.781	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1	ZINC000982818475	811290982	/nfs/dbraw/zinc/29/09/82/811290982.db2.gz	ZWLOWCPDOYRHKH-ULQDDVLXSA-N	1	0	361.486	1.028	20	30		FDEDRO
C[NH+]=C(NCc1ncc(C(C)(C)C)o1)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261673200	811295332	/nfs/dbraw/zinc/29/53/32/811295332.db2.gz	GZHZDUIVWUAFCO-UHFFFAOYSA-N	1	0	373.461	1.130	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCOc2ccccc21)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000261856756	811332365	/nfs/dbraw/zinc/33/23/65/811332365.db2.gz	XYHLAMUJLDGTBL-ZWKOTPCHSA-N	1	0	372.513	1.782	20	30		FDEDRO
C[NH+]=C(NCC1(C(=O)N(C)C)CCCC1)N1CC[C@@H](C)[C@H](n2ccnc2)C1	ZINC000261946100	811350356	/nfs/dbraw/zinc/35/03/56/811350356.db2.gz	FZOVZHPENSMMNH-IAGOWNOFSA-N	1	0	374.533	1.990	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000982826946	811401275	/nfs/dbraw/zinc/40/12/75/811401275.db2.gz	IMMJJHQPTRJOLD-JLJPHGGASA-N	1	0	357.458	1.195	20	30		FDEDRO
N#Cc1ccc([C@@H](NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C(N)=O)cc1	ZINC000513448033	811523410	/nfs/dbraw/zinc/52/34/10/811523410.db2.gz	PTIHVFVEIYJSLE-WOJBJXKFSA-N	1	0	364.449	1.441	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)[C@H](OCC)C2)C1	ZINC000983295135	815488041	/nfs/dbraw/zinc/48/80/41/815488041.db2.gz	NKEHJWCBGQQMFM-GVDBMIGSSA-N	1	0	363.502	1.274	20	30		FDEDRO
CC(C)[N@H+](C)CCNC(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000514003001	815569920	/nfs/dbraw/zinc/56/99/20/815569920.db2.gz	FFJZQWOJDISRIS-LIRRHRJNSA-N	1	0	355.442	1.382	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCC[C@@H]1C[NH3+]	ZINC000420035457	813404700	/nfs/dbraw/zinc/40/47/00/813404700.db2.gz	IFDFEZVMDKRUHG-BDXSIMOUSA-N	1	0	354.454	1.528	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C2CC2)cc1	ZINC000420016011	813409511	/nfs/dbraw/zinc/40/95/11/813409511.db2.gz	MHURUHIBFJTFGM-SJLPKXTDSA-N	1	0	354.454	1.683	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C	ZINC000420049927	813427087	/nfs/dbraw/zinc/42/70/87/813427087.db2.gz	YUYIKYHATXMPHO-RHSMWYFYSA-N	1	0	370.453	1.302	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+]	ZINC000420064867	813448519	/nfs/dbraw/zinc/44/85/19/813448519.db2.gz	PAJXAPISWWNMLD-AEFFLSMTSA-N	1	0	359.470	1.844	20	30		FDEDRO
C[C@]1(CNC(=O)C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)CCC[NH2+]C1	ZINC000420126987	813490385	/nfs/dbraw/zinc/49/03/85/813490385.db2.gz	SHXUTIMOTVRGBW-OPYAIIAOSA-N	1	0	368.481	1.791	20	30		FDEDRO
CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000420157151	813496883	/nfs/dbraw/zinc/49/68/83/813496883.db2.gz	OKDWACNLWQBNCG-CQSZACIVSA-N	1	0	358.442	1.042	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000420149875	813510618	/nfs/dbraw/zinc/51/06/18/813510618.db2.gz	WBIWDGIHAONHRR-KDOFPFPSSA-N	1	0	370.453	1.042	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1	ZINC000420220671	813565510	/nfs/dbraw/zinc/56/55/10/813565510.db2.gz	YKERXSDFWJJQHN-IPMKNSEASA-N	1	0	368.481	1.800	20	30		FDEDRO
CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NCC(C)(C)C#N	ZINC000501862325	813693376	/nfs/dbraw/zinc/69/33/76/813693376.db2.gz	PHCMYLRTOWAJSZ-UHFFFAOYSA-N	1	0	357.502	1.995	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C(=O)NC)C2)cc1	ZINC000420970487	813897898	/nfs/dbraw/zinc/89/78/98/813897898.db2.gz	GJRURRKUOVLMLM-HNNXBMFYSA-N	1	0	358.442	1.400	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@@H](C)C1	ZINC000367050559	814277777	/nfs/dbraw/zinc/27/77/77/814277777.db2.gz	QIVRLVNCGMIKML-HOTGVXAUSA-N	1	0	353.470	1.846	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H]2CCC[C@H]2C(=O)NC)cc1	ZINC000502833655	814284960	/nfs/dbraw/zinc/28/49/60/814284960.db2.gz	NQJKKNIGWOOIEF-MSOLQXFVSA-N	1	0	372.469	1.836	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1	ZINC000367089363	814318970	/nfs/dbraw/zinc/31/89/70/814318970.db2.gz	JJKYOJCDGGIERO-RTBURBONSA-N	1	0	372.469	1.752	20	30		FDEDRO
COc1cccc(C2([NH2+]CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CC2)c1	ZINC000271732027	814466413	/nfs/dbraw/zinc/46/64/13/814466413.db2.gz	STRYHDXECONPKP-LJQANCHMSA-N	1	0	370.497	1.966	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(F)F)nn2C)C[C@H]1C(F)(F)F	ZINC001112130302	814800090	/nfs/dbraw/zinc/80/00/90/814800090.db2.gz	LVDZNKCVGRGXRS-MWLCHTKSSA-N	1	0	364.318	1.974	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(CC(N)=O)CC1	ZINC000422234915	814803488	/nfs/dbraw/zinc/80/34/88/814803488.db2.gz	UAWJTVXTTZXIHR-UHFFFAOYSA-N	1	0	357.458	1.287	20	30		FDEDRO
C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1	ZINC000422761780	814843003	/nfs/dbraw/zinc/84/30/03/814843003.db2.gz	MFGQOSWYAKUFNA-CQSZACIVSA-N	1	0	361.442	1.187	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1	ZINC001028800447	815671767	/nfs/dbraw/zinc/67/17/67/815671767.db2.gz	VAHPFXVLROXMNF-OKZBNKHCSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C(N)=O)cc1	ZINC001167956530	815763651	/nfs/dbraw/zinc/76/36/51/815763651.db2.gz	BUGFLNCELVIGRI-ROUUACIJSA-N	1	0	359.470	1.753	20	30		FDEDRO
C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)C2)C1	ZINC000505532523	815798483	/nfs/dbraw/zinc/79/84/83/815798483.db2.gz	FHQUEBLQBIKVIE-FQEVSTJZSA-N	1	0	364.453	1.884	20	30		FDEDRO
COc1cccc([C@@H]2[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)CCN2C2CC2)c1	ZINC000514788801	815979538	/nfs/dbraw/zinc/97/95/38/815979538.db2.gz	YYKMXIACEFRUOT-HMXCVIKNSA-N	1	0	372.513	1.769	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001028856604	816244592	/nfs/dbraw/zinc/24/45/92/816244592.db2.gz	LEXOXIIXEGLPBY-VDZJLULYSA-N	1	0	356.470	1.615	20	30		FDEDRO
CNC(=O)c1cccc(CC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c1	ZINC000515414293	816249421	/nfs/dbraw/zinc/24/94/21/816249421.db2.gz	FWLKZKVWBUNIGS-GOSISDBHSA-N	1	0	353.422	1.490	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2)C1	ZINC001028861963	816304454	/nfs/dbraw/zinc/30/44/54/816304454.db2.gz	HQSHWZJQNIKTAA-NEWSRXKRSA-N	1	0	371.481	1.705	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H](C)N1CC[NH+](CC)CC1	ZINC000505823170	816527560	/nfs/dbraw/zinc/52/75/60/816527560.db2.gz	GGGLULGYKYKPOR-QGZVFWFLSA-N	1	0	372.513	1.886	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](OC)c2cnn(C)c2)C[C@H]1C(F)(F)F	ZINC001112137754	816665242	/nfs/dbraw/zinc/66/52/42/816665242.db2.gz	CEHLKBAGIZPGIA-MGPQQGTHSA-N	1	0	358.364	1.110	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1	ZINC000516411925	816806891	/nfs/dbraw/zinc/80/68/91/816806891.db2.gz	GCGFUCGXQUVDRD-INIZCTEOSA-N	1	0	356.474	1.517	20	30		FDEDRO
C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)N[C@@H]3CC[C@H](C#N)C3)cccc21	ZINC000425806551	817091730	/nfs/dbraw/zinc/09/17/30/817091730.db2.gz	AXXZGZIZGWPURB-WOSRLPQWSA-N	1	0	356.426	1.819	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1	ZINC000425862221	817238061	/nfs/dbraw/zinc/23/80/61/817238061.db2.gz	JWNJMIQYTYOCHB-OALUTQOASA-N	1	0	371.481	1.606	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccoc4CC)[C@@H]3C2)C1=O	ZINC001075747970	817357656	/nfs/dbraw/zinc/35/76/56/817357656.db2.gz	JNQKNHRUAFDQRK-USXIJHARSA-N	1	0	357.454	1.775	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C	ZINC000517423808	817432547	/nfs/dbraw/zinc/43/25/47/817432547.db2.gz	BHKFDVSGUHDUNT-KBPBESRZSA-N	1	0	358.442	1.884	20	30		FDEDRO
C[C@@H]1CN(Cc2cnc3c(C#N)cnn3c2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000517936920	817641468	/nfs/dbraw/zinc/64/14/68/817641468.db2.gz	BTZIVLVGZAWWEY-QAPCUYQASA-N	1	0	353.474	1.059	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1	ZINC001087467226	817796571	/nfs/dbraw/zinc/79/65/71/817796571.db2.gz	KOMNNGHSTKQLAS-KZNAEPCWSA-N	1	0	359.445	1.907	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H](O)C(C)C)[C@@H]3C2)cc1C#N	ZINC001075756705	817946941	/nfs/dbraw/zinc/94/69/41/817946941.db2.gz	AXDKBYXWYXHWAP-KVSKMBFKSA-N	1	0	357.454	1.616	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1	ZINC001112146667	818036424	/nfs/dbraw/zinc/03/64/24/818036424.db2.gz	HYBVEWABMJZRGM-MGPQQGTHSA-N	1	0	361.408	1.636	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)C1	ZINC000473702105	818194981	/nfs/dbraw/zinc/19/49/81/818194981.db2.gz	RVWIOMBPJLTODO-QGZVFWFLSA-N	1	0	358.442	1.456	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)c2ccoc2)CC1	ZINC000983622587	818242511	/nfs/dbraw/zinc/24/25/11/818242511.db2.gz	FQMFQJYBPCNLFZ-APWZRJJASA-N	1	0	371.481	1.982	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2cn(C)nn2)C1	ZINC001087474019	818244582	/nfs/dbraw/zinc/24/45/82/818244582.db2.gz	HYHVREJYFQYCLY-ROUUACIJSA-N	1	0	369.469	1.988	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2COC(=O)N2)C1	ZINC001087474287	818247492	/nfs/dbraw/zinc/24/74/92/818247492.db2.gz	WDHUTCNTWDRISY-YESZJQIVSA-N	1	0	359.426	1.264	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cc1Cl	ZINC000894662667	818288618	/nfs/dbraw/zinc/28/86/18/818288618.db2.gz	YSMXIJCVVJASHY-IRXDYDNUSA-N	1	0	362.861	1.952	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1	ZINC001087475453	818321086	/nfs/dbraw/zinc/32/10/86/818321086.db2.gz	JMUIUAXSCSCLMH-WMZOPIPTSA-N	1	0	368.437	1.552	20	30		FDEDRO
COc1ccc([C@@H]2CCN(CC#N)C[C@@H]2NC(=O)C[N@@H+]2CCC[C@@H]2C)cc1	ZINC001087475840	818338447	/nfs/dbraw/zinc/33/84/47/818338447.db2.gz	FYCLFMGDGYDEOM-VDGAXYAQSA-N	1	0	370.497	1.977	20	30		FDEDRO
C#CCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1	ZINC001087476249	818372533	/nfs/dbraw/zinc/37/25/33/818372533.db2.gz	BHYNORJAFQPEAM-PMACEKPBSA-N	1	0	367.493	1.698	20	30		FDEDRO
C[C@@H]1[C@H](NC(=O)COc2cccc(Br)c2C#N)CC[N@@H+]1C	ZINC000928432095	818394396	/nfs/dbraw/zinc/39/43/96/818394396.db2.gz	ISNJFFDZYLUBHQ-ZWNOBZJWSA-N	1	0	352.232	1.908	20	30		FDEDRO
COc1ccc([C@@H]2CCN(CC#N)C[C@@H]2NC(=O)[C@H]2CC[N@H+](C)C2)cc1	ZINC001087477059	818398296	/nfs/dbraw/zinc/39/82/96/818398296.db2.gz	SELJGOFRGKWVFB-WDSOQIARSA-N	1	0	356.470	1.445	20	30		FDEDRO
C=CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2ccccc2)CC1	ZINC000427245942	818761485	/nfs/dbraw/zinc/76/14/85/818761485.db2.gz	KXRKHYOUDRVRNA-UHFFFAOYSA-N	1	0	368.485	1.925	20	30		FDEDRO
C[C@H]([NH2+]Cc1ccc(C#N)cc1)C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1	ZINC001029144438	818927693	/nfs/dbraw/zinc/92/76/93/818927693.db2.gz	JBMBRFCRDAMHFF-VHSSKADRSA-N	1	0	354.454	1.396	20	30		FDEDRO
C[NH+](C)CCCOc1cnccc1CNC(=O)NCC#C[C@@H]1CCCCO1	ZINC000894885373	819110126	/nfs/dbraw/zinc/11/01/26/819110126.db2.gz	ICTLZXZCBGNPIF-SFHVURJKSA-N	1	0	374.485	1.784	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC[N@@H+]1C	ZINC000473890511	819145592	/nfs/dbraw/zinc/14/55/92/819145592.db2.gz	GOWIHHPONKAJKW-JLSDUUJJSA-N	1	0	354.454	1.648	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1	ZINC000937428090	819232465	/nfs/dbraw/zinc/23/24/65/819232465.db2.gz	NDNDRWLTMOJTJX-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC([C@@H](O)C(=O)OC)CC1	ZINC000441245726	819283268	/nfs/dbraw/zinc/28/32/68/819283268.db2.gz	MXFBLIDLKLFAOO-PKOBYXMFSA-N	1	0	363.454	1.401	20	30		FDEDRO
N#Cc1ccccc1OC1CCC(NC(=O)NC[C@H]2C[NH2+]CCCO2)CC1	ZINC000520374674	819322982	/nfs/dbraw/zinc/32/29/82/819322982.db2.gz	SBYULOYVGAYRMK-DAWZGUTISA-N	1	0	372.469	1.926	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)N(C)C(C)C	ZINC001167990833	819397634	/nfs/dbraw/zinc/39/76/34/819397634.db2.gz	DKZWXOVQQIIULK-IKGGRYGDSA-N	1	0	353.507	1.709	20	30		FDEDRO
C=C[C@H](CO)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2	ZINC000458880994	819481015	/nfs/dbraw/zinc/48/10/15/819481015.db2.gz	KWUAYJYHHIWKOS-RTBURBONSA-N	1	0	373.497	1.761	20	30		FDEDRO
O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000328719263	819531597	/nfs/dbraw/zinc/53/15/97/819531597.db2.gz	QDNOTAJWHSRAQC-SCTDSRPQSA-N	1	0	367.490	1.283	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H]3CCC(=O)NC34CCC4)C2)CC1	ZINC000328710122	819539215	/nfs/dbraw/zinc/53/92/15/819539215.db2.gz	BPSDBPNMZKVQFU-HZPDHXFCSA-N	1	0	363.506	1.654	20	30		FDEDRO
CC(C)C[NH+]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)CC1	ZINC000328831262	819560913	/nfs/dbraw/zinc/56/09/13/819560913.db2.gz	UYEJLEQILAMNJI-SFHVURJKSA-N	1	0	358.486	1.975	20	30		FDEDRO
CN1CCO[C@@H]2CCN(C(=O)NCc3ccnc(-n4cccn4)c3)C[C@@H]21	ZINC000328901121	819571871	/nfs/dbraw/zinc/57/18/71/819571871.db2.gz	YRYKVUHQAPIPRA-JKSUJKDBSA-N	1	0	356.430	1.086	20	30		FDEDRO
NC(=O)N[C@H]1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1	ZINC000328942624	819585033	/nfs/dbraw/zinc/58/50/33/819585033.db2.gz	UCZXWJGJQFKFAT-HNNXBMFYSA-N	1	0	367.494	1.135	20	30		FDEDRO
NC(=O)N[C@@H]1CCN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1	ZINC000328907055	819589777	/nfs/dbraw/zinc/58/97/77/819589777.db2.gz	BWAKUOVXAGXVDX-OAHLLOKOSA-N	1	0	367.494	1.340	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NCc1cccnc1N1CC[NH+](C)CC1	ZINC000328930475	819596211	/nfs/dbraw/zinc/59/62/11/819596211.db2.gz	ASLLIWOQQAEVNZ-CVEARBPZSA-N	1	0	374.489	1.592	20	30		FDEDRO
CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1	ZINC000330437075	819612810	/nfs/dbraw/zinc/61/28/10/819612810.db2.gz	NQKSZKKTCYUMBU-XYJFISCASA-N	1	0	361.486	1.929	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CC[N@H+](C)C2)nc1	ZINC000983808920	819620927	/nfs/dbraw/zinc/62/09/27/819620927.db2.gz	PYFKJSPXDRJLLL-NJAFHUGGSA-N	1	0	368.481	1.372	20	30		FDEDRO
CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)C1	ZINC000330847787	819648471	/nfs/dbraw/zinc/64/84/71/819648471.db2.gz	MALYSNXCMDVECR-LTIDMASMSA-N	1	0	368.522	1.371	20	30		FDEDRO
CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1	ZINC000330992761	819660662	/nfs/dbraw/zinc/66/06/62/819660662.db2.gz	NGOGCPPUAHSBJI-KBPBESRZSA-N	1	0	361.446	1.479	20	30		FDEDRO
CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1	ZINC000331317695	819675465	/nfs/dbraw/zinc/67/54/65/819675465.db2.gz	YYRMCMVOVZNBDJ-AWEZNQCLSA-N	1	0	360.458	1.662	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1	ZINC000459036932	819885335	/nfs/dbraw/zinc/88/53/35/819885335.db2.gz	DVQIUHCAOUNFKG-MOPGFXCFSA-N	1	0	364.534	1.920	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCC3(F)F)C[C@@H]2O)[nH]1	ZINC001083413150	819999034	/nfs/dbraw/zinc/99/90/34/819999034.db2.gz	BKCSOJLYIVTOBM-GLQYFDAESA-N	1	0	352.385	1.487	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)nc1	ZINC000983952893	820274006	/nfs/dbraw/zinc/27/40/06/820274006.db2.gz	HDSCIACUKWTPLX-NXHRZFHOSA-N	1	0	368.481	1.372	20	30		FDEDRO
C[C@@H]1CN(C[C@@H](O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)C[C@H](C)O1	ZINC000520694984	820382725	/nfs/dbraw/zinc/38/27/25/820382725.db2.gz	IXVGCFIMFOGDAA-SCTDSRPQSA-N	1	0	373.497	1.872	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1	ZINC001101314840	820389774	/nfs/dbraw/zinc/38/97/74/820389774.db2.gz	OFDLMCFNDZTBTJ-QRQLOZEOSA-N	1	0	354.491	1.004	20	30		FDEDRO
CC#CC[C@H](CO)[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCOCC2	ZINC000895131863	820750948	/nfs/dbraw/zinc/75/09/48/820750948.db2.gz	LRQHDCKUJLOGEQ-OWCLPIDISA-N	1	0	352.475	1.813	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(C(=O)NCC#Cc2ccccc2)CC1	ZINC000474025722	820936227	/nfs/dbraw/zinc/93/62/27/820936227.db2.gz	WFJSIKWFYGDPLB-UHFFFAOYSA-N	1	0	350.422	1.974	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CC23CC3)CC1	ZINC000984115695	820981550	/nfs/dbraw/zinc/98/15/50/820981550.db2.gz	ZFXLTCMVKGVUKW-NZSAHSFTSA-N	1	0	371.525	1.875	20	30		FDEDRO
C[C@@H](C#N)CN(C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1)C1CC1	ZINC000441914363	820983276	/nfs/dbraw/zinc/98/32/76/820983276.db2.gz	JRUPRZDLFLNHNC-AWEZNQCLSA-N	1	0	358.442	1.716	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCNC(=O)C2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087537876	821010372	/nfs/dbraw/zinc/01/03/72/821010372.db2.gz	VXMYMJUPLRQOFG-OKZBNKHCSA-N	1	0	354.454	1.554	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1	ZINC000441989217	821013827	/nfs/dbraw/zinc/01/38/27/821013827.db2.gz	VMEAMSPWDQXQQW-OAHLLOKOSA-N	1	0	371.441	1.286	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC[N@@H+]1C	ZINC000442152168	821071154	/nfs/dbraw/zinc/07/11/54/821071154.db2.gz	FFTDSYYJGPLJPZ-GDBMZVCRSA-N	1	0	358.442	1.907	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)CN2CN=NC2=O)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087546568	821264515	/nfs/dbraw/zinc/26/45/15/821264515.db2.gz	WBSJDMHYNRLBGX-JKSUJKDBSA-N	1	0	354.414	1.025	20	30		FDEDRO
C=CCN1CC[C@H](N2CC[C@H](NC(=O)c3coc(CC)n3)[C@H]2CC)C1=O	ZINC001087548146	821301436	/nfs/dbraw/zinc/30/14/36/821301436.db2.gz	FQBKNUBFJRWWFL-IMJJTQAJSA-N	1	0	360.458	1.607	20	30		FDEDRO
C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1ccc(C#N)c(O)c1	ZINC000442981800	821345481	/nfs/dbraw/zinc/34/54/81/821345481.db2.gz	VTFCJMWJHAQFMF-HNNXBMFYSA-N	1	0	365.437	1.599	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@H]3CC34CC4)[C@H]2CC)CC1	ZINC000985576693	828345272	/nfs/dbraw/zinc/34/52/72/828345272.db2.gz	XKGUYLIKKUBZBV-FGTMMUONSA-N	1	0	357.498	1.627	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCC(=O)NC2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087599268	821675394	/nfs/dbraw/zinc/67/53/94/821675394.db2.gz	UWGPARYVYYLVLP-SLFFLAALSA-N	1	0	367.493	1.924	20	30		FDEDRO
C#Cc1cncc(C(=O)N(C)[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC000984262647	822053906	/nfs/dbraw/zinc/05/39/06/822053906.db2.gz	WQWUZYRTNRODRU-AYOQOUSVSA-N	1	0	368.481	1.466	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@H]1CC	ZINC001087787215	822433318	/nfs/dbraw/zinc/43/33/18/822433318.db2.gz	MTXHSTQXJAWUAV-JKSUJKDBSA-N	1	0	361.490	1.316	20	30		FDEDRO
[NH2+]=C(NCc1nnc2n1CCCCC2)N1CCN(c2ccc(F)cc2)CC1	ZINC000262207792	822442624	/nfs/dbraw/zinc/44/26/24/822442624.db2.gz	DRVXJXRZGPBIAQ-UHFFFAOYSA-N	1	0	371.464	1.781	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc4c([nH]3)CCC4)[C@H]2CC)C1=O	ZINC001087792718	822447506	/nfs/dbraw/zinc/44/75/06/822447506.db2.gz	UPDUGDKXWZNHFY-QXAKKESOSA-N	1	0	370.497	1.873	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccnc(C)n3)[C@H]2CC)C1=O	ZINC001087833444	822538112	/nfs/dbraw/zinc/53/81/12/822538112.db2.gz	ALTXDXHHWIWXDA-UAGQMJEPSA-N	1	0	357.458	1.155	20	30		FDEDRO
CCc1ccc(CC[N@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)cc1	ZINC001083418345	822626514	/nfs/dbraw/zinc/62/65/14/822626514.db2.gz	FFRBKPHEGBEJEW-MOPGFXCFSA-N	1	0	352.438	1.466	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(C)nc4)C[C@@H]3C2)C1=O	ZINC001087887479	822724965	/nfs/dbraw/zinc/72/49/65/822724965.db2.gz	IOWLKMCXFKRESU-CEXWTWQISA-N	1	0	368.481	1.571	20	30		FDEDRO
Cc1c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)cnn1CCC#N	ZINC000895745432	822726555	/nfs/dbraw/zinc/72/65/55/822726555.db2.gz	ABZLMMAVDRROSQ-UHFFFAOYSA-N	1	0	353.430	1.504	20	30		FDEDRO
COc1ccc(C[NH2+][C@H]2C(=O)NCC23CCOCC3)cc1OCCCC#N	ZINC000895772301	822736523	/nfs/dbraw/zinc/73/65/23/822736523.db2.gz	CUDLKYWXLCWHSA-SFHVURJKSA-N	1	0	373.453	1.763	20	30		FDEDRO
C=CCc1cc(C[NH+]2CCC(O)(COCCO)CC2)cc(OC)c1O	ZINC000895828189	822754897	/nfs/dbraw/zinc/75/48/97/822754897.db2.gz	SNBSUNUFVHMZQL-UHFFFAOYSA-N	1	0	351.443	1.465	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)/C=C(/C)C4CC4)C[C@@H]3C2)C1=O	ZINC001087898020	822755443	/nfs/dbraw/zinc/75/54/43/822755443.db2.gz	BQEPOOYTZLYQHE-IBJDTXEYSA-N	1	0	357.498	1.910	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cnccc4C)C[C@@H]3C2)C1=O	ZINC001087919046	823895518	/nfs/dbraw/zinc/89/55/18/823895518.db2.gz	QXJGXXDQQNSGLO-AOIWGVFYSA-N	1	0	368.481	1.571	20	30		FDEDRO
Cn1nccc1CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C1	ZINC001087924599	823927268	/nfs/dbraw/zinc/92/72/68/823927268.db2.gz	ALOKQELDBKRULZ-CVEARBPZSA-N	1	0	352.442	1.256	20	30		FDEDRO
C[N@H+]1C[C@H]2CN(C(=O)NC3CCN(c4ccccc4C#N)CC3)C[C@H]2C1	ZINC000896103550	824031572	/nfs/dbraw/zinc/03/15/72/824031572.db2.gz	QBAYUVLGZUGVSI-CALCHBBNSA-N	1	0	353.470	1.730	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4COC(=O)N4)C[C@@H]3C2)s1	ZINC001087952700	824122571	/nfs/dbraw/zinc/12/25/71/824122571.db2.gz	PTROANPYWLAJID-TYNCELHUSA-N	1	0	360.439	1.008	20	30		FDEDRO
CCn1ncc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)CC[C@@H]3C2)n1	ZINC001087957581	824155187	/nfs/dbraw/zinc/15/51/87/824155187.db2.gz	YPXMQFFYQWQSGF-MSOLQXFVSA-N	1	0	364.453	1.764	20	30		FDEDRO
Cn1cnc(C(=O)N2C[C@@H]3C[N@@H+](CC#Cc4ccc(F)cc4)CC[C@@H]3C2)n1	ZINC001087957579	824155542	/nfs/dbraw/zinc/15/55/42/824155542.db2.gz	YONRIDGQIRRZCA-SJORKVTESA-N	1	0	367.428	1.400	20	30		FDEDRO
CNC(=O)c1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)c1	ZINC001087962089	824182799	/nfs/dbraw/zinc/18/27/99/824182799.db2.gz	XKYKPWRAGCNWQC-UXHICEINSA-N	1	0	365.477	1.740	20	30		FDEDRO
C[C@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1	ZINC001087961865	824183074	/nfs/dbraw/zinc/18/30/74/824183074.db2.gz	MVMPEWMRCDATHO-QRQLOZEOSA-N	1	0	357.498	1.581	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C(=O)O1	ZINC000896329346	824335639	/nfs/dbraw/zinc/33/56/39/824335639.db2.gz	OKOKTDHRQYIWRB-YOEHRIQHSA-N	1	0	356.426	1.480	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)CC[C@@H]2C1	ZINC001087978796	824339893	/nfs/dbraw/zinc/33/98/93/824339893.db2.gz	UJADXGZALLHVAD-QLFBSQMISA-N	1	0	353.894	1.824	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4C=CC=CC=C4)C[C@@H]3C2)C1=O	ZINC001087982207	824353248	/nfs/dbraw/zinc/35/32/48/824353248.db2.gz	SGTVCLRJNPTCCH-AABGKKOBSA-N	1	0	367.493	1.852	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccnc(OC)c2)C1	ZINC001029846636	828651625	/nfs/dbraw/zinc/65/16/25/828651625.db2.gz	JATSWLGABVWHGP-KURKYZTESA-N	1	0	359.470	1.962	20	30		FDEDRO
C[C@H](NC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000329059230	824550244	/nfs/dbraw/zinc/55/02/44/824550244.db2.gz	NBDTWLLVKCBDOP-ABFRBSLYSA-N	1	0	363.506	1.856	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1	ZINC000329068570	824554511	/nfs/dbraw/zinc/55/45/11/824554511.db2.gz	XPISNNHHOFLYEE-YVSFHVDLSA-N	1	0	364.490	1.239	20	30		FDEDRO
Cc1cc(N2CC[C@H](NC(=O)N3CCCC34CC[NH+](C)CC4)C2=O)n(C)n1	ZINC000329070774	824557009	/nfs/dbraw/zinc/55/70/09/824557009.db2.gz	NLMPRCIKNNCJTF-HNNXBMFYSA-N	1	0	374.489	1.308	20	30		FDEDRO
CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)N(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1	ZINC000329084177	824567407	/nfs/dbraw/zinc/56/74/07/824567407.db2.gz	STKCZNAVYYRZGS-BMRXWSCTSA-N	1	0	362.478	1.804	20	30		FDEDRO
C[C@@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)[C@@H]1C[N@H+](C)CCN1C	ZINC000896552010	824568510	/nfs/dbraw/zinc/56/85/10/824568510.db2.gz	IPLRZZWDKHFWQE-QAPCUYQASA-N	1	0	371.485	1.418	20	30		FDEDRO
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCc1cn2c(n1)CCCC2	ZINC000329098280	824581659	/nfs/dbraw/zinc/58/16/59/824581659.db2.gz	CPWPWYOXGQGIHQ-UHFFFAOYSA-N	1	0	362.522	1.591	20	30		FDEDRO
CC(C)[C@H](CNC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1)[NH+]1CCN(C)CC1	ZINC000329114612	824601164	/nfs/dbraw/zinc/60/11/64/824601164.db2.gz	MEFSEMUIEBMQNN-AOIWGVFYSA-N	1	0	368.522	1.100	20	30		FDEDRO
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1	ZINC000329153020	824632272	/nfs/dbraw/zinc/63/22/72/824632272.db2.gz	BNEFZUJCRHJDMS-JOQOYGCGSA-N	1	0	373.453	1.867	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)NCc3c(C)cc(C)[nH]c3=O)C2)CC1	ZINC000329168654	824639542	/nfs/dbraw/zinc/63/95/42/824639542.db2.gz	JETLKRPOFRLESS-INIZCTEOSA-N	1	0	361.490	1.530	20	30		FDEDRO
CC(=O)N1CCC[C@](O)(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1	ZINC000329189700	824654494	/nfs/dbraw/zinc/65/44/94/824654494.db2.gz	PVJQNHWFTWAROE-UYAOXDASSA-N	1	0	359.470	1.838	20	30		FDEDRO
Cc1nc(CC2CC2)oc1C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1	ZINC000329211218	824671851	/nfs/dbraw/zinc/67/18/51/824671851.db2.gz	ZYVPSGVUQGXSDO-HNNXBMFYSA-N	1	0	360.458	1.935	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCc2cn3c(n2)CCCC3)CC1	ZINC000329212687	824672330	/nfs/dbraw/zinc/67/23/30/824672330.db2.gz	IDQGPGJUGVKLSK-GOSISDBHSA-N	1	0	374.533	1.735	20	30		FDEDRO
Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)on1	ZINC000329241194	824692045	/nfs/dbraw/zinc/69/20/45/824692045.db2.gz	NJEFRPUFNKYYRH-JYJNAYRXSA-N	1	0	365.453	1.589	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)CC1	ZINC000329274375	824707791	/nfs/dbraw/zinc/70/77/91/824707791.db2.gz	ILIQSCRPKQWWKW-MJGOQNOKSA-N	1	0	372.517	1.292	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000329293257	824719942	/nfs/dbraw/zinc/71/99/42/824719942.db2.gz	RMCUWPJAOOYJPU-VYDXJSESSA-N	1	0	363.506	1.653	20	30		FDEDRO
C[NH+](C)C[C@H]1CN(C(=O)Nc2ccccc2CN2CCNC2=O)CCO1	ZINC000329429655	824782621	/nfs/dbraw/zinc/78/26/21/824782621.db2.gz	JYGUPEVNYKKLLZ-HNNXBMFYSA-N	1	0	361.446	1.224	20	30		FDEDRO
CC(C)N(CC(=O)N1CCCCCC1)C(=O)NC[C@H]1C[N@H+](C)CCN1C	ZINC000329463760	824812154	/nfs/dbraw/zinc/81/21/54/824812154.db2.gz	UMKDISDXQHDPQP-KRWDZBQOSA-N	1	0	367.538	1.259	20	30		FDEDRO
CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)C[C@@H]1C	ZINC000329482509	824827964	/nfs/dbraw/zinc/82/79/64/824827964.db2.gz	PYBBYJLUEHYLLC-SZOQZIPDSA-N	1	0	362.478	1.020	20	30		FDEDRO
CC(C)[C@H](CNC(=O)N1CCO[C@]2(CCCOC2)C1)[NH+]1CCN(C)CC1	ZINC000329489543	824830637	/nfs/dbraw/zinc/83/06/37/824830637.db2.gz	UVAQUBJPBDGQAC-PKOBYXMFSA-N	1	0	368.522	1.054	20	30		FDEDRO
C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H]1CCO[C@H]1c1ccnn1C	ZINC000329494621	824836591	/nfs/dbraw/zinc/83/65/91/824836591.db2.gz	UPRLCAALEFUYOO-KYHPRHEASA-N	1	0	361.490	1.970	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4c3NC(=O)CO4)C[C@@H]2C1	ZINC001087996529	824998222	/nfs/dbraw/zinc/99/82/22/824998222.db2.gz	WQHGUPXWOOETKU-CABCVRRESA-N	1	0	353.422	1.435	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OCCO[C@@H]3c3ccccc3)C[C@@H]2C1	ZINC001088000004	825058342	/nfs/dbraw/zinc/05/83/42/825058342.db2.gz	KXYUUCPMYIBDLK-IYWMVGAKSA-N	1	0	354.450	1.557	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(CC(F)(F)F)n3)C[C@@H]2C1	ZINC001088004968	825121452	/nfs/dbraw/zinc/12/14/52/825121452.db2.gz	DAFMFMFRCCMEIW-KGLIPLIRSA-N	1	0	354.376	1.863	20	30		FDEDRO
C[C@@H]1C[C@@H](CCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCO1	ZINC000329659387	825211554	/nfs/dbraw/zinc/21/15/54/825211554.db2.gz	OAPUWKZNABJUSB-SJORKVTESA-N	1	0	366.506	1.346	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H]2C[N@H+]([C@H](CC)C(N)=O)CC[C@@H]2C1	ZINC001088016633	825274225	/nfs/dbraw/zinc/27/42/25/825274225.db2.gz	ODPDQVWOAMLCMY-SOLBZPMBSA-N	1	0	371.481	1.909	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c(cc[nH]c4=O)n3)C[C@@H]2C1	ZINC001088017601	825288816	/nfs/dbraw/zinc/28/88/16/825288816.db2.gz	ISVMNDFBLSOKBN-CABCVRRESA-N	1	0	350.422	1.753	20	30		FDEDRO
C[NH+]=C(NCC(=O)N(C)C)N1CCN(c2ccc(C(F)(F)F)cc2)CC1	ZINC000262334508	825324565	/nfs/dbraw/zinc/32/45/65/825324565.db2.gz	VUHULUBLCVLCJV-UHFFFAOYSA-N	1	0	371.407	1.491	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(=O)n(CCOC)c3)C[C@@H]2C1	ZINC001088025575	825386560	/nfs/dbraw/zinc/38/65/60/825386560.db2.gz	PDAXTXOSLJSQKO-AEFFLSMTSA-N	1	0	359.470	1.465	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nn(CC)nc2C)C1	ZINC000984918442	825458296	/nfs/dbraw/zinc/45/82/96/825458296.db2.gz	YMXRWROXIZLEIQ-OVWQWFNUSA-N	1	0	361.490	1.572	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnc(C3CC3)[nH]2)C1	ZINC000984920155	825465625	/nfs/dbraw/zinc/46/56/25/825465625.db2.gz	LKNVFMDJOMFTOB-QEWYBTABSA-N	1	0	359.474	1.648	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)N2CCN([C@@H](C)c3nc(C)no3)CC2)CC1	ZINC000329803285	825466244	/nfs/dbraw/zinc/46/62/44/825466244.db2.gz	LCPUGCQECMDDSI-AWEZNQCLSA-N	1	0	364.494	1.845	20	30		FDEDRO
CCn1cc(CN2CCCN(C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)cn1	ZINC000329809671	825470191	/nfs/dbraw/zinc/47/01/91/825470191.db2.gz	QGIREPLZEJSVOU-SJLPKXTDSA-N	1	0	362.522	1.807	20	30		FDEDRO
Cn1nc(C(=O)NC(C)(C)CCN2CC[NH+](C)CC2)c(=O)c2ccccc21	ZINC000329966141	825569534	/nfs/dbraw/zinc/56/95/34/825569534.db2.gz	ROVCYUYJPFSPDI-UHFFFAOYSA-N	1	0	371.485	1.654	20	30		FDEDRO
COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1	ZINC000329982620	825577564	/nfs/dbraw/zinc/57/75/64/825577564.db2.gz	OZLMYIYLEGLXJO-CABCVRRESA-N	1	0	362.478	1.734	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O	ZINC000329996386	825585819	/nfs/dbraw/zinc/58/58/19/825585819.db2.gz	OUFYLRWFWWKWJV-CXAGYDPISA-N	1	0	366.462	1.247	20	30		FDEDRO
C[C@@H]1c2nncn2CCN1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000330050074	825610875	/nfs/dbraw/zinc/61/08/75/825610875.db2.gz	LJEIFOLQWFVCMK-FVQBIDKESA-N	1	0	362.478	1.337	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCCN3CC3CCC3)C[C@@H]2C1	ZINC001088053595	825644237	/nfs/dbraw/zinc/64/42/37/825644237.db2.gz	PMQLNAVKJRZYEI-AABGKKOBSA-N	1	0	361.530	1.844	20	30		FDEDRO
C[C@H](CNC(=O)N1C[C@H](C)O[C@@]2(CCCOC2)C1)C[NH+]1CCN(C)CC1	ZINC000330131523	825663466	/nfs/dbraw/zinc/66/34/66/825663466.db2.gz	PSQQCAYXZXYFCF-AOIWGVFYSA-N	1	0	368.522	1.054	20	30		FDEDRO
CCC1(CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CCOCC1	ZINC000330135411	825665838	/nfs/dbraw/zinc/66/58/38/825665838.db2.gz	MTNXLLANXYQZDG-INIZCTEOSA-N	1	0	366.506	1.346	20	30		FDEDRO
COc1ccc(CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1OC	ZINC000330216015	825737222	/nfs/dbraw/zinc/73/72/22/825737222.db2.gz	MVCWNDWYEWZGEO-INIZCTEOSA-N	1	0	363.458	1.772	20	30		FDEDRO
Cc1c([C@@H]2[C@H](C(=O)NC[C@H](C)C[NH+]3CCCC3)CC(=O)N2C)cnn1C	ZINC000330252457	825767666	/nfs/dbraw/zinc/76/76/66/825767666.db2.gz	ACSJWKICGVDFFG-JOQOYGCGSA-N	1	0	361.490	1.936	20	30		FDEDRO
CC(C)N1C[C@@H](NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC1=O	ZINC000330265468	825779818	/nfs/dbraw/zinc/77/98/18/825779818.db2.gz	ZHNZPJQNAXTSMD-INIZCTEOSA-N	1	0	366.506	1.487	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCNC4=O)C[C@@H]3C2)s1	ZINC001088065134	825788940	/nfs/dbraw/zinc/78/89/40/825788940.db2.gz	JJWMAZLVSXMVKV-DVOMOZLQSA-N	1	0	358.467	1.036	20	30		FDEDRO
CN(C)c1noc(CCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)n1	ZINC000330284691	825794086	/nfs/dbraw/zinc/79/40/86/825794086.db2.gz	XVWTUVHYZUOMHM-HUUCEWRRSA-N	1	0	365.478	1.793	20	30		FDEDRO
CC(C)N1CC[C@@H](NC(=O)N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C1=O	ZINC000330318915	825901439	/nfs/dbraw/zinc/90/14/39/825901439.db2.gz	CTJFLHALJYUQTC-KSZLIROESA-N	1	0	373.501	1.930	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+](C)CCCCN2C(=O)c3ccccc3C2=O)C1=O	ZINC000281321509	825936623	/nfs/dbraw/zinc/93/66/23/825936623.db2.gz	LFUIEJHMZWHBHD-QGZVFWFLSA-N	1	0	355.438	1.782	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+](C)CCCCN2C(=O)c3ccccc3C2=O)C1=O	ZINC000281321507	825936710	/nfs/dbraw/zinc/93/67/10/825936710.db2.gz	LFUIEJHMZWHBHD-KRWDZBQOSA-N	1	0	355.438	1.782	20	30		FDEDRO
Cn1cc(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c(-c2ccc(C#N)cc2)n1	ZINC000281399951	825952151	/nfs/dbraw/zinc/95/21/51/825952151.db2.gz	XJKOQJUMJMVIPN-SJORKVTESA-N	1	0	351.410	1.889	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1)C(C)C	ZINC000281505389	825967834	/nfs/dbraw/zinc/96/78/34/825967834.db2.gz	KQUPAFPJQLDRSF-INIZCTEOSA-N	1	0	372.469	1.598	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3cocn3)[C@@H]2CC)CC1	ZINC000984988645	826002900	/nfs/dbraw/zinc/00/29/00/826002900.db2.gz	JPLWYGRKZPXVOR-DOTOQJQBSA-N	1	0	358.442	1.129	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4c[nH]c(=O)cn4)C[C@@H]3C2)c1	ZINC001088084097	826218777	/nfs/dbraw/zinc/21/87/77/826218777.db2.gz	XFQUPCSFFOWDRV-SJORKVTESA-N	1	0	363.421	1.236	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC#CC)C1	ZINC001112175214	826229471	/nfs/dbraw/zinc/22/94/71/826229471.db2.gz	QIKMUILVXOSLAW-QLFBSQMISA-N	1	0	359.392	1.460	20	30		FDEDRO
C[C@@]1(C(=O)N2C[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)CC[C@@H]3C2)CCC(=O)N1	ZINC001088093677	826347010	/nfs/dbraw/zinc/34/70/10/826347010.db2.gz	INRRXORPWVXFEA-LQWHRVPQSA-N	1	0	366.465	1.507	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+](C[C@H]4CCCOC4)CC[C@@H]3C2)c1	ZINC001088099263	826390039	/nfs/dbraw/zinc/39/00/39/826390039.db2.gz	BUAYPNADSZFXCI-GGPKGHCWSA-N	1	0	353.466	1.883	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CCc4cn[nH]n4)C[C@@H]3C2)cc1	ZINC001088111908	826443734	/nfs/dbraw/zinc/44/37/34/826443734.db2.gz	BMTFSYYJEKWJBP-MSOLQXFVSA-N	1	0	364.453	1.589	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccnc(OC)c3)CC[C@@H]2C1	ZINC001088112505	826445170	/nfs/dbraw/zinc/44/51/70/826445170.db2.gz	JIKZFODLTHCEDL-HCXYKTFWSA-N	1	0	371.481	1.962	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H]3C[N@H+](CC(=O)N(C)C)CC[C@@H]3C2)cc1	ZINC001088132740	826570350	/nfs/dbraw/zinc/57/03/50/826570350.db2.gz	DQJVPHZYZWIKSD-MSOLQXFVSA-N	1	0	369.465	1.181	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H]3C[N@H+]([C@@H](C)C(=O)NC)CC[C@@H]3C2)cc1	ZINC001088133045	826571003	/nfs/dbraw/zinc/57/10/03/826571003.db2.gz	PNRHHWUVKBJJAA-JQHSSLGASA-N	1	0	369.465	1.227	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](C[C@H]4CCCCO4)CC[C@@H]3C2)nn1	ZINC001088133752	826575531	/nfs/dbraw/zinc/57/55/31/826575531.db2.gz	YOMVAMFHOGPRTM-IXDOHACOSA-N	1	0	359.474	1.427	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC(=O)N(C)[C@@H]3c3cccnc3)C[C@@H]2C1	ZINC001088136241	826591915	/nfs/dbraw/zinc/59/19/15/826591915.db2.gz	BSKPIZOMEWDZCV-DOADOZAASA-N	1	0	366.465	1.015	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CCN1C(=O)C#CC1CC1	ZINC000985152301	826605255	/nfs/dbraw/zinc/60/52/55/826605255.db2.gz	PIUHLZPTOGWJEH-NSHGMRRFSA-N	1	0	357.498	1.770	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cncn3C)CC[C@@H]2C1	ZINC001088138214	826621307	/nfs/dbraw/zinc/62/13/07/826621307.db2.gz	ZFPHJYKOWBWBAH-NEPXVJNWSA-N	1	0	358.486	1.682	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2CC)cn1	ZINC000985164461	826664584	/nfs/dbraw/zinc/66/45/84/826664584.db2.gz	QPOQDQJWGNTAEI-ZWKOTPCHSA-N	1	0	366.465	1.268	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4nnc[nH]4)C[C@@H]3C2)cc1F	ZINC001088164913	826942905	/nfs/dbraw/zinc/94/29/05/826942905.db2.gz	DXXUCBWEWLOJEC-CVEARBPZSA-N	1	0	368.416	1.338	20	30		FDEDRO
C[C@H]1CN(C(=[NH2+])NCC2(c3ccc4c(c3)OCO4)CCOCC2)CCO1	ZINC000262447657	826960679	/nfs/dbraw/zinc/96/06/79/826960679.db2.gz	JEIREKQSBDKLHC-AWEZNQCLSA-N	1	0	361.442	1.499	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](C[C@@H]4CCCOC4)CC[C@@H]3C2)cn1	ZINC001088175115	827223710	/nfs/dbraw/zinc/22/37/10/827223710.db2.gz	FTDVAWDDZAEPOY-UHOSZYNNSA-N	1	0	353.466	1.883	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cn(CC)cn4)C[C@@H]3C2)C1=O	ZINC001088172656	827244424	/nfs/dbraw/zinc/24/44/24/827244424.db2.gz	XRSFSXPPYFOTGA-SOLBZPMBSA-N	1	0	371.485	1.084	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4[nH]cnc4CC)C[C@@H]3C2)C1=O	ZINC001088186010	827351097	/nfs/dbraw/zinc/35/10/97/827351097.db2.gz	CMQWZEYNRJQCKG-VYDXJSESSA-N	1	0	371.485	1.153	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c4ccccc4oc3=O)C[C@@H]2C1	ZINC001088196398	827408198	/nfs/dbraw/zinc/40/81/98/827408198.db2.gz	GGQFBZKANJNCKQ-CVEARBPZSA-N	1	0	355.438	1.951	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N3CCOCC3)C[C@@H]2C1	ZINC001088208445	827501374	/nfs/dbraw/zinc/50/13/74/827501374.db2.gz	AATMNGILTQQGHF-HSALFYBXSA-N	1	0	361.530	1.844	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2nc3ncccn3n2)C[C@H]1C(F)(F)F	ZINC001112181899	827587159	/nfs/dbraw/zinc/58/71/59/827587159.db2.gz	CROGKQZCXXFSGU-GHMZBOCLSA-N	1	0	354.336	1.293	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)CC2)C1	ZINC001088233918	827597503	/nfs/dbraw/zinc/59/75/03/827597503.db2.gz	CYBRAVCDXUTLEK-KBAYOESNSA-N	1	0	363.502	1.417	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1	ZINC001088234823	827600478	/nfs/dbraw/zinc/60/04/78/827600478.db2.gz	CSTZGUKAHMVCOV-UHOSZYNNSA-N	1	0	364.486	1.143	20	30		FDEDRO
Cn1ncc(C(=O)Nc2ccccc2C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1C#N	ZINC000475445984	827644683	/nfs/dbraw/zinc/64/46/83/827644683.db2.gz	LJGLFBJRXVHYKK-CQSZACIVSA-N	1	0	366.425	1.241	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1	ZINC001088239188	827657029	/nfs/dbraw/zinc/65/70/29/827657029.db2.gz	OQHCGYZFRSQDJN-WTGUMLROSA-N	1	0	360.498	1.907	20	30		FDEDRO
C[N@H+](Cc1ccc(C#N)cc1F)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000985425734	827780594	/nfs/dbraw/zinc/78/05/94/827780594.db2.gz	HJUFFOGXGIPGGY-NVXWUHKLSA-N	1	0	360.389	1.785	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC000985500841	828055735	/nfs/dbraw/zinc/05/57/35/828055735.db2.gz	XCAULACEFQIRLD-XOKHGSTOSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1CC	ZINC000985514051	828074972	/nfs/dbraw/zinc/07/49/72/828074972.db2.gz	ABLLEMMMGHLKLS-TWMKSMIVSA-N	1	0	361.486	1.169	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1=O	ZINC000985552248	828198351	/nfs/dbraw/zinc/19/83/51/828198351.db2.gz	XTELPASVOSRTRN-SGYMCOKNSA-N	1	0	373.497	1.120	20	30		FDEDRO
CN1CC[NH+](CCCCNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1	ZINC000526838339	828876964	/nfs/dbraw/zinc/87/69/64/828876964.db2.gz	UIJOIZAJJPFXOG-IBGZPJMESA-N	1	0	353.470	1.384	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](CO)C[C@H](OCCOC)C2)CC1	ZINC000447774991	828884672	/nfs/dbraw/zinc/88/46/72/828884672.db2.gz	BORHNRPZVSEWRW-AEFFLSMTSA-N	1	0	369.506	1.082	20	30		FDEDRO
CN(CCN1CCN(c2ccccc2)CC1)CC(=O)NC1(C#N)CCC1	ZINC000527128672	828960918	/nfs/dbraw/zinc/96/09/18/828960918.db2.gz	QVKGIAVENWDSPY-UHFFFAOYSA-N	1	0	355.486	1.303	20	30		FDEDRO
Cn1c(C#N)ccc1C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1	ZINC000448729824	829232706	/nfs/dbraw/zinc/23/27/06/829232706.db2.gz	ROUNCRZUBWNKOH-UHFFFAOYSA-N	1	0	365.437	1.846	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]C[C@H](O)Cc1ccc(F)cc1	ZINC001168101623	829239032	/nfs/dbraw/zinc/23/90/32/829239032.db2.gz	VJGIWRHWGHZLMT-QYZOEREBSA-N	1	0	364.461	1.806	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)c2cc(C#N)[nH]c2C)CC1	ZINC000448974664	829319170	/nfs/dbraw/zinc/31/91/70/829319170.db2.gz	LRYWUZOXTGWPKE-UHFFFAOYSA-N	1	0	373.501	1.895	20	30		FDEDRO
CCCCNC(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1	ZINC000528365639	829373083	/nfs/dbraw/zinc/37/30/83/829373083.db2.gz	LPWXEGDESCRVKC-ZWKOTPCHSA-N	1	0	359.470	1.926	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(C[C@@H](O)COc3ccccc3C#N)CC2)C1	ZINC000528418330	829396090	/nfs/dbraw/zinc/39/60/90/829396090.db2.gz	UVCYEJZJUBNUOX-RTBURBONSA-N	1	0	358.486	1.010	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C[C@@H](O)COc1ccccc1C#N	ZINC000528427441	829399659	/nfs/dbraw/zinc/39/96/59/829399659.db2.gz	YXEYJACGXIBBRH-MLYOOKFZSA-N	1	0	359.470	1.481	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1ccc(CNC(=O)Cc2ccc(C#N)nc2)cc1	ZINC000528450149	829416538	/nfs/dbraw/zinc/41/65/38/829416538.db2.gz	KNGBIIJXGAMGFL-UHFFFAOYSA-N	1	0	365.437	1.104	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](CN2CCOCC2)C1	ZINC000528484933	829430366	/nfs/dbraw/zinc/43/03/66/829430366.db2.gz	AWRKQUZTHBUHPL-MJGOQNOKSA-N	1	0	359.470	1.342	20	30		FDEDRO
N#Cc1cc(Oc2ccc(NC(=O)NC[C@@H]3COCC[NH2+]3)cc2)ccn1	ZINC000528689627	829520949	/nfs/dbraw/zinc/52/09/49/829520949.db2.gz	FRHCVQWLGHCYHR-OAHLLOKOSA-N	1	0	353.382	1.855	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)Nc1cc(C)no1	ZINC001168110380	829548359	/nfs/dbraw/zinc/54/83/59/829548359.db2.gz	SNKGFKMMJVRFRY-DZKIICNBSA-N	1	0	364.446	1.387	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NCc1ccco1	ZINC001168110205	829550027	/nfs/dbraw/zinc/55/00/27/829550027.db2.gz	QKRIPMAHTGKYHC-PVAVHDDUSA-N	1	0	363.458	1.361	20	30		FDEDRO
COCc1ccc(NC(=O)NCCN2CCC([NH+](C)C)CC2)cc1C#N	ZINC000529209727	829763295	/nfs/dbraw/zinc/76/32/95/829763295.db2.gz	JAXHAUOEYDKVDN-UHFFFAOYSA-N	1	0	359.474	1.852	20	30		FDEDRO
CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000529319684	829826367	/nfs/dbraw/zinc/82/63/67/829826367.db2.gz	CAAJFJJVOVAHMH-QZTJIDSGSA-N	1	0	369.469	1.693	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1	ZINC000729811840	837406873	/nfs/dbraw/zinc/40/68/73/837406873.db2.gz	DOLPJPCSFHSNKJ-UKRRQHHQSA-N	1	0	362.376	1.959	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccc(OCC(=O)NC)c(OC)c1	ZINC000729812676	837407337	/nfs/dbraw/zinc/40/73/37/837407337.db2.gz	ZUWYETBJAJWWPH-OAHLLOKOSA-N	1	0	360.410	1.074	20	30		FDEDRO
CC(C)[N@H+](C[C@H](O)COc1ccc(CC(N)=O)cc1)CC1(C#N)CCC1	ZINC000450618687	830050193	/nfs/dbraw/zinc/05/01/93/830050193.db2.gz	FOVQLWWNGSEQOL-KRWDZBQOSA-N	1	0	359.470	1.858	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)CN2CC[N@H+](CCO)C[C@@H]2C)c(OC)c1	ZINC000452120012	830533820	/nfs/dbraw/zinc/53/38/20/830533820.db2.gz	QUMFOAIUQDKTJO-WMZOPIPTSA-N	1	0	364.486	1.162	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]2C1	ZINC000986094612	830702532	/nfs/dbraw/zinc/70/25/32/830702532.db2.gz	GZAFGHSCLBOSRL-HSALFYBXSA-N	1	0	371.525	1.970	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)c1	ZINC000453635702	830974191	/nfs/dbraw/zinc/97/41/91/830974191.db2.gz	DOHCHJRGNGYJSX-UHFFFAOYSA-N	1	0	370.453	1.566	20	30		FDEDRO
C=C1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@@H]3C2)CC1	ZINC000986135759	831188632	/nfs/dbraw/zinc/18/86/32/831188632.db2.gz	WNAAKPRJAJBXAZ-QRVBRYPASA-N	1	0	359.514	1.991	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)c4ccoc4)CC[C@@H]3C2)CC1	ZINC000986247237	831360006	/nfs/dbraw/zinc/36/00/06/831360006.db2.gz	YDDAQBPRDUQZHF-MJGOQNOKSA-N	1	0	369.465	1.545	20	30		FDEDRO
CC[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N1CC[C@@H](CN2CCOCC2)C1	ZINC000262774011	831378376	/nfs/dbraw/zinc/37/83/76/831378376.db2.gz	JLSURDWTBAWUTD-BJLQDIEVSA-N	1	0	366.550	1.547	20	30		FDEDRO
C[NH+]=C(NCC[C@@H]1CCC[C@H](C)C1)N1CCN(c2nccn(C)c2=O)CC1	ZINC000262790262	831452988	/nfs/dbraw/zinc/45/29/88/831452988.db2.gz	NYWMLZVUNVWCRU-IRXDYDNUSA-N	1	0	374.533	1.694	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]3C2)c1	ZINC000986320615	831484282	/nfs/dbraw/zinc/48/42/82/831484282.db2.gz	JBRGKLMRZGBYLB-NZSAHSFTSA-N	1	0	368.481	1.324	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2C1	ZINC000986482765	831750889	/nfs/dbraw/zinc/75/08/89/831750889.db2.gz	NELFUWWZABWVIL-FGTMMUONSA-N	1	0	359.514	1.847	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N1CCN(c2ccccn2)CC1	ZINC000262410637	837571299	/nfs/dbraw/zinc/57/12/99/837571299.db2.gz	PGCULUIKBZFLLC-CGTJXYLNSA-N	1	0	357.502	1.983	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1	ZINC000453926160	831929198	/nfs/dbraw/zinc/92/91/98/831929198.db2.gz	HEHMNJSGSKDBBT-MSOLQXFVSA-N	1	0	372.469	1.227	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)CCC)C[C@H]1C(F)(F)F	ZINC001112208667	831963728	/nfs/dbraw/zinc/96/37/28/831963728.db2.gz	YKQHRCIWJOCAOV-CHWSQXEVSA-N	1	0	370.437	1.756	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@@H]2C1	ZINC000986596672	832012013	/nfs/dbraw/zinc/01/20/13/832012013.db2.gz	DIMTYDQRRMKYFM-BBWFWOEESA-N	1	0	358.486	1.329	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)CC)C[C@H]1C(F)(F)F	ZINC001112212290	832070441	/nfs/dbraw/zinc/07/04/41/832070441.db2.gz	XZCZBKATUQOXRP-YNEHKIRRSA-N	1	0	370.437	1.755	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C	ZINC000453928670	832247405	/nfs/dbraw/zinc/24/74/05/832247405.db2.gz	INVMOTSSHZAANP-KBMXLJTQSA-N	1	0	359.426	1.470	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+](C)CC2CCN(C(=O)[C@H]3OCC[C@H]3C)CC2)C1=O	ZINC001029997387	832340003	/nfs/dbraw/zinc/34/00/03/832340003.db2.gz	PZLRTXLYBPOJIG-NJAFHUGGSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1	ZINC001105438835	832344844	/nfs/dbraw/zinc/34/48/44/832344844.db2.gz	PEJVAIKBOJDNCB-LXGFNABISA-N	1	0	371.481	1.402	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@@H+](C)Cc2cc(OC)no2)CC1	ZINC001029998206	832347513	/nfs/dbraw/zinc/34/75/13/832347513.db2.gz	OLRYIVSDNKWLMA-SJORKVTESA-N	1	0	363.458	1.945	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C[C@H]2COC(=O)C2)CCN1Cc1cc(F)ccc1C#N	ZINC001088522734	832403452	/nfs/dbraw/zinc/40/34/52/832403452.db2.gz	BZIZHLSRIVWDNY-XNJGSVPQSA-N	1	0	359.401	1.730	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1ccc2c(c1)nnn2C	ZINC001088533375	832494650	/nfs/dbraw/zinc/49/46/50/832494650.db2.gz	OYDPBPMQXWONAW-WBMJQRKESA-N	1	0	363.425	1.561	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3cc(C)on3)[C@H]2C)CC1	ZINC000987291103	832746112	/nfs/dbraw/zinc/74/61/12/832746112.db2.gz	PMPOPSPXDMXOOM-ZBFHGGJFSA-N	1	0	358.442	1.047	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC=CCC3)[C@H]2C)CC1	ZINC000987322661	832789565	/nfs/dbraw/zinc/78/95/65/832789565.db2.gz	HBEZJNHLNJFYRP-LMMKCTJWSA-N	1	0	357.498	1.794	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)C1	ZINC000987646415	833511919	/nfs/dbraw/zinc/51/19/19/833511919.db2.gz	GCMHGVZKKZUWIP-VKJFTORMSA-N	1	0	371.485	1.583	20	30		FDEDRO
C[NH+](C)C1CCN(C(=O)Cc2noc(COc3ccccc3C#N)n2)CC1	ZINC000350913903	833727769	/nfs/dbraw/zinc/72/77/69/833727769.db2.gz	GBHBLGGWPGLJBF-UHFFFAOYSA-N	1	0	369.425	1.615	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)NC[C@H]2[NH2+]CCc3ccccc32)nc1	ZINC000841700954	834986155	/nfs/dbraw/zinc/98/61/55/834986155.db2.gz	OZUPCEORYASMKK-QGZVFWFLSA-N	1	0	350.426	1.551	20	30		FDEDRO
N#CCCCOc1cccc(C[NH2+]CCS(=O)(=O)N2CCOCC2)c1	ZINC000729683221	835238581	/nfs/dbraw/zinc/23/85/81/835238581.db2.gz	HCKDGJMERXYYDD-UHFFFAOYSA-N	1	0	367.471	1.121	20	30		FDEDRO
CCN1CC[NH+](CCCCNC(=O)NCc2ccc(C#N)c(F)c2)CC1	ZINC000454320831	835360026	/nfs/dbraw/zinc/36/00/26/835360026.db2.gz	KDTOYXHSLQUUSL-UHFFFAOYSA-N	1	0	361.465	1.914	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3cc(C)on3)[C@@H]2C)CC1	ZINC000988505965	835657286	/nfs/dbraw/zinc/65/72/86/835657286.db2.gz	GLBWJRRFMSWTFR-ZBFHGGJFSA-N	1	0	358.442	1.047	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCC3(C)C)[C@@H]2C)CC1	ZINC000988507477	835662142	/nfs/dbraw/zinc/66/21/42/835662142.db2.gz	UEVYYHVSVLLLMO-NXHRZFHOSA-N	1	0	359.514	1.873	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3[nH]ccc3C)[C@@H]2C)CC1	ZINC000988508165	835664166	/nfs/dbraw/zinc/66/41/66/835664166.db2.gz	ZXDREXPHCCTLHU-WBVHZDCISA-N	1	0	356.470	1.388	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)NCC[N@H+]3CCC[C@@H]3C)CC2)c1C#N	ZINC000897506127	835675549	/nfs/dbraw/zinc/67/55/49/835675549.db2.gz	VEOJPQCMPWYNKB-ZDUSSCGKSA-N	1	0	362.503	1.639	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3ccnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105668965	844111232	/nfs/dbraw/zinc/11/12/32/844111232.db2.gz	NMMZWEZXFOSEBS-HNBVOPMISA-N	1	0	360.502	1.734	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3ccnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105668968	844111919	/nfs/dbraw/zinc/11/19/19/844111919.db2.gz	NMMZWEZXFOSEBS-IZBJGVDFSA-N	1	0	360.502	1.734	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1	ZINC000455438150	836062096	/nfs/dbraw/zinc/06/20/96/836062096.db2.gz	UZRYRJXPMHVWEY-VEHMJYNQSA-N	1	0	362.518	1.672	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1CN(CC(=O)N[C@H](C)CCCCC)C[C@H]1OC	ZINC001212024167	836304108	/nfs/dbraw/zinc/30/41/08/836304108.db2.gz	LRELCLRFSBIBQI-BRWVUGGUSA-N	1	0	353.507	1.853	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H]1C	ZINC000988629049	836308959	/nfs/dbraw/zinc/30/89/59/836308959.db2.gz	NVODWQNAHVTFHF-VQHPVUNQSA-N	1	0	358.486	1.734	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccoc2Cl)[C@@H]1C	ZINC000988737519	836931025	/nfs/dbraw/zinc/93/10/25/836931025.db2.gz	AHHCJPDFZSFAJP-SNPRPXQTSA-N	1	0	363.845	1.750	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C[C@H](O)Cn3cccn3)[C@@H]2C)cc1	ZINC001088789131	844228108	/nfs/dbraw/zinc/22/81/08/844228108.db2.gz	WUBPMEOAERBTTP-MNEFBYGVSA-N	1	0	352.438	1.118	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H]4C[NH2+]C[C@H]4CC3)cc2C1=O	ZINC000261746239	837278716	/nfs/dbraw/zinc/27/87/16/837278716.db2.gz	ISWGWJBIXWIUOP-GASCZTMLSA-N	1	0	353.422	1.540	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CCOC)C3)[C@@H]2C(C)C)nc1	ZINC001105669576	844258983	/nfs/dbraw/zinc/25/89/83/844258983.db2.gz	SPWSXVOQBZVNGN-BNDYYXHWSA-N	1	0	371.481	1.289	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncccc3OC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105669571	844259020	/nfs/dbraw/zinc/25/90/20/844259020.db2.gz	SOPRLWPITJESFD-NVEXJGOOSA-N	1	0	371.481	1.693	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(CC)on3)[C@H]2C(C)C)C[C@H]1O	ZINC001105669684	844279469	/nfs/dbraw/zinc/27/94/69/844279469.db2.gz	UOWFLJKJNALIPB-FTEYMNFISA-N	1	0	359.470	1.840	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1	ZINC000938093565	838311378	/nfs/dbraw/zinc/31/13/78/838311378.db2.gz	RCQINJPNRUPESI-OTWHNJEPSA-N	1	0	371.481	1.670	20	30		FDEDRO
C[C@@H](NC(=O)[C@@H](C)Oc1ccc(C#N)cc1)C(=O)NCC[NH+]1CCCCC1	ZINC000508715464	838392622	/nfs/dbraw/zinc/39/26/22/838392622.db2.gz	CJHXTLCEXVPNDM-HZPDHXFCSA-N	1	0	372.469	1.432	20	30		FDEDRO
CN1CCN(c2nc3ccccc3nc2NC(=N)c2nccs2)CC1	ZINC001168276231	838434912	/nfs/dbraw/zinc/43/49/12/838434912.db2.gz	WOZBHQLPWCUZTN-UHFFFAOYSA-N	1	0	353.455	1.875	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C	ZINC000989230130	838785742	/nfs/dbraw/zinc/78/57/42/838785742.db2.gz	HZRHPRVGOBVIIS-NCOADZHNSA-N	1	0	363.502	1.558	20	30		FDEDRO
COCCn1nccc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C	ZINC001088647758	838938980	/nfs/dbraw/zinc/93/89/80/838938980.db2.gz	KDNPUYSRHALQEX-QAPCUYQASA-N	1	0	367.453	1.794	20	30		FDEDRO
C[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C[C@H]1C	ZINC000459925164	839090264	/nfs/dbraw/zinc/09/02/64/839090264.db2.gz	HNSOFUAWEKVONE-DLBZAZTESA-N	1	0	370.497	1.953	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@H]3C[C@H]4C[C@H]4C3)[C@H]2C)CC1	ZINC000989362988	839700285	/nfs/dbraw/zinc/70/02/85/839700285.db2.gz	AOTIUHBBZDMNJE-IQRFUGTFSA-N	1	0	357.498	1.483	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C)C1	ZINC000989373051	839777042	/nfs/dbraw/zinc/77/70/42/839777042.db2.gz	XICDPALKHYFVMX-INMHGKMJSA-N	1	0	371.485	1.728	20	30		FDEDRO
COCC#CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1C1CC1)CCO2	ZINC001105484072	839781976	/nfs/dbraw/zinc/78/19/76/839781976.db2.gz	WHTWOEUFMUITKE-KYBDOYODSA-N	1	0	360.498	1.812	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H]1C1(C[NH2+]CC(N)=O)CCC1	ZINC001105540096	839942795	/nfs/dbraw/zinc/94/27/95/839942795.db2.gz	YVPZGDHFKIPHBA-IXDOHACOSA-N	1	0	363.502	1.594	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)F)[C@@H]2C(C)C)C[C@H]1O	ZINC001105585489	839995545	/nfs/dbraw/zinc/99/55/45/839995545.db2.gz	QHNQLDYLLCRBRQ-YKTARERQSA-N	1	0	356.482	1.903	20	30		FDEDRO
CCc1nc(C#N)cc(N(C)CCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)n1	ZINC001105582256	840008037	/nfs/dbraw/zinc/00/80/37/840008037.db2.gz	REDWWBLPJMTEJP-JKSUJKDBSA-N	1	0	358.490	1.536	20	30		FDEDRO
C[NH+]1CCC(CNC(=S)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1	ZINC000760486981	840048830	/nfs/dbraw/zinc/04/88/30/840048830.db2.gz	RDNYDKIPNHQDDL-LJQANCHMSA-N	1	0	371.554	1.913	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc(C)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105590741	840127286	/nfs/dbraw/zinc/12/72/86/840127286.db2.gz	MRAFWCPYFKIBAL-DLVXIWMQSA-N	1	0	358.486	1.941	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](CC)[C@H]2CCCOC2)CC1	ZINC000897674812	840217040	/nfs/dbraw/zinc/21/70/40/840217040.db2.gz	IZHJEQHLAKJBBG-RDJZCZTQSA-N	1	0	351.491	1.465	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cnn(CCF)c1	ZINC000897676545	840220302	/nfs/dbraw/zinc/22/03/02/840220302.db2.gz	RMSWGKNREGLDIS-UHFFFAOYSA-N	1	0	372.448	1.998	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccncc1	ZINC000842039933	840865597	/nfs/dbraw/zinc/86/55/97/840865597.db2.gz	TVKVBVDALNOSDF-ZWKOTPCHSA-N	1	0	356.470	1.806	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)CSCC#N)C[C@]12C[C@@H](O)[C@H]([NH2+]C/C=C\Cl)C2	ZINC001105600217	840968294	/nfs/dbraw/zinc/96/82/94/840968294.db2.gz	DBKXRTUUYUMJSX-YJMJIYPASA-N	1	0	371.934	1.962	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnsn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105600676	841001972	/nfs/dbraw/zinc/00/19/72/841001972.db2.gz	LJLLIWQVOJQXOR-MMTVNHQJSA-N	1	0	350.488	1.694	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(C)C(C)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105601350	841031143	/nfs/dbraw/zinc/03/11/43/841031143.db2.gz	WVLRIPWAOTVKGG-HNBVOPMISA-N	1	0	365.518	1.397	20	30		FDEDRO
C#CCN(C(=O)NCc1ncc(Br)cn1)C1CC[NH+](C)CC1	ZINC000898380541	841070221	/nfs/dbraw/zinc/07/02/21/841070221.db2.gz	QDFZGUPTCWPGCL-UHFFFAOYSA-N	1	0	366.263	1.478	20	30		FDEDRO
CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000479943500	844612869	/nfs/dbraw/zinc/61/28/69/844612869.db2.gz	TWXCCBOYTWSAJW-CQSZACIVSA-N	1	0	352.442	1.740	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cc(C)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105606189	841204118	/nfs/dbraw/zinc/20/41/18/841204118.db2.gz	AZMHHSJTMFRZPX-IZBJGVDFSA-N	1	0	358.486	1.181	20	30		FDEDRO
C=CCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnn(C)c3)C2)[C@@H]1C(C)C	ZINC001105607264	841224450	/nfs/dbraw/zinc/22/44/50/841224450.db2.gz	ONWWUOGLKHRSOU-IZBJGVDFSA-N	1	0	360.502	1.852	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C)c1	ZINC000989804342	841474507	/nfs/dbraw/zinc/47/45/07/841474507.db2.gz	SXDYOGQAKSWBNJ-KDOFPFPSSA-N	1	0	354.454	1.266	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)[C@H]2C)nc1	ZINC000989998371	841769123	/nfs/dbraw/zinc/76/91/23/841769123.db2.gz	XHUMNOVAGIAQFW-UXLLHSPISA-N	1	0	354.454	1.266	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCOC(C)C)C2)[C@H]1C(C)C	ZINC001105612058	841931998	/nfs/dbraw/zinc/93/19/98/841931998.db2.gz	XHEGZNBFQLYKQH-HNBVOPMISA-N	1	0	368.518	1.580	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)/C(C)=C/C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105614596	842227996	/nfs/dbraw/zinc/22/79/96/842227996.db2.gz	IWOMLZSDLAOYOF-RDUKLKCESA-N	1	0	363.502	1.221	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncccc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105614835	842228575	/nfs/dbraw/zinc/22/85/75/842228575.db2.gz	KBXJZOJTZDUMKW-VGUOSERISA-N	1	0	355.482	1.993	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCF)C2)[C@H]1C(C)C	ZINC001105615350	842230556	/nfs/dbraw/zinc/23/05/56/842230556.db2.gz	SWDDMJURVUZFDS-PSBWJHGTSA-N	1	0	356.482	1.905	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(=O)NCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105619104	842236127	/nfs/dbraw/zinc/23/61/27/842236127.db2.gz	FTAWAOJBBXSQIZ-YKCBXCCJSA-N	1	0	365.518	1.445	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnnn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105622723	842248641	/nfs/dbraw/zinc/24/86/41/842248641.db2.gz	GHWZMJNXAGCVII-MYZZLAAOSA-N	1	0	361.490	1.361	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnnn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105623199	842250374	/nfs/dbraw/zinc/25/03/74/842250374.db2.gz	OBYTXUPTVBPHRL-MYZZLAAOSA-N	1	0	361.490	1.361	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COC(C)(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105623119	842250387	/nfs/dbraw/zinc/25/03/87/842250387.db2.gz	NAFGZKDUKNHJTN-HBXLWWENSA-N	1	0	350.503	1.791	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(CC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105623672	842252579	/nfs/dbraw/zinc/25/25/79/842252579.db2.gz	SDTFOUNWCFEIRR-KLICCBINSA-N	1	0	361.490	1.454	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccncc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105626511	842257081	/nfs/dbraw/zinc/25/70/81/842257081.db2.gz	CGQHOAHUBNVRTQ-WERVVEIQSA-N	1	0	355.482	1.993	20	30		FDEDRO
CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C#CC(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105626433	842257129	/nfs/dbraw/zinc/25/71/29/842257129.db2.gz	AKKXNIDTKFKEIP-HNBVOPMISA-N	1	0	350.503	1.648	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncn(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105626795	842257846	/nfs/dbraw/zinc/25/78/46/842257846.db2.gz	HQDPIJLKAQKSKM-OAFZBRQQSA-N	1	0	361.490	1.361	20	30		FDEDRO
C#CCCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC#CCOC)C2)[C@H]1C(C)C	ZINC001105628406	842261351	/nfs/dbraw/zinc/26/13/51/842261351.db2.gz	VMVYPXDVRRLUEN-UKAVVXHISA-N	1	0	360.498	1.406	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3=CCCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105614297	842265690	/nfs/dbraw/zinc/26/56/90/842265690.db2.gz	GHSATDMTFXXZQV-XCJLJZCSSA-N	1	0	360.498	1.713	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)C(N)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105637176	842270135	/nfs/dbraw/zinc/27/01/35/842270135.db2.gz	KVRBMEVVWMJCIR-IHSNIMORSA-N	1	0	365.518	1.430	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCn3ccnn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105637694	842272567	/nfs/dbraw/zinc/27/25/67/842272567.db2.gz	UUNKREULXVBGSU-FPAYPSAMSA-N	1	0	361.490	1.210	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCC3CCCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637865	842274720	/nfs/dbraw/zinc/27/47/20/842274720.db2.gz	WTDFJQJCVHGQQF-VURPSTOHSA-N	1	0	362.514	1.793	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnc(OC)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637881	842274736	/nfs/dbraw/zinc/27/47/36/842274736.db2.gz	WYTZPIJOGJOQEK-ZJSJBZJDSA-N	1	0	371.481	1.693	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NCC)C2)[C@H]1C(C)C	ZINC001105633753	842282090	/nfs/dbraw/zinc/28/20/90/842282090.db2.gz	WLHOVNDKDMUISM-SMOSDQRPSA-N	1	0	365.518	1.445	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(COCC)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105642250	842304955	/nfs/dbraw/zinc/30/49/55/842304955.db2.gz	IHLZBDAUHFGHBX-WIRSXHRWSA-N	1	0	362.514	1.793	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3ccon3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105643479	842339696	/nfs/dbraw/zinc/33/96/96/842339696.db2.gz	ZCCNFDPTVYTGAJ-HNBVOPMISA-N	1	0	359.470	1.597	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC#CCOC)C2)[C@@H]1C(C)C	ZINC001105645468	842395315	/nfs/dbraw/zinc/39/53/15/842395315.db2.gz	BBDYNFZCKQHICS-DCXXXQMHSA-N	1	0	362.514	1.815	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)cnn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105645758	842395949	/nfs/dbraw/zinc/39/59/49/842395949.db2.gz	CQHPHFCAXQYKAR-HBXLWWENSA-N	1	0	358.486	1.332	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@H]1C(C)C	ZINC001105647404	842412562	/nfs/dbraw/zinc/41/25/62/842412562.db2.gz	QWKXIOAMIINEKX-SMOSDQRPSA-N	1	0	363.502	1.022	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3n[nH]nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105648468	842420704	/nfs/dbraw/zinc/42/07/04/842420704.db2.gz	YJQYENWBEGFBNJ-RRIFGTCXSA-N	1	0	361.490	1.659	20	30		FDEDRO
C=CCN1CC[C@@H](N2CC[C@H](NC(=O)c3snnc3CC)[C@H]2C)C1=O	ZINC001088716852	842431721	/nfs/dbraw/zinc/43/17/21/842431721.db2.gz	BLVHBODFSDGFHI-KWCYVHTRSA-N	1	0	363.487	1.080	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(C)CCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105651407	842446882	/nfs/dbraw/zinc/44/68/82/842446882.db2.gz	GTIMUBFEPYCEHY-IKVWTGGYSA-N	1	0	362.514	1.793	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3=CCOCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105655876	842479074	/nfs/dbraw/zinc/47/90/74/842479074.db2.gz	LUIBBYOQRLSWCT-QCFAMHMHSA-N	1	0	360.498	1.713	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3conc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105655360	842483427	/nfs/dbraw/zinc/48/34/27/842483427.db2.gz	HRWHTPPLONRNER-FTEYMNFISA-N	1	0	359.470	1.840	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CCCO)C3)[C@H]2C(C)C)c1	ZINC001105656705	842488625	/nfs/dbraw/zinc/48/86/25/842488625.db2.gz	TUOHGPYPFWPALT-ANTGDGSKSA-N	1	0	371.481	1.025	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C)[nH]c3=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105657378	842494057	/nfs/dbraw/zinc/49/40/57/842494057.db2.gz	YQMQEOPDQAOSKE-IKVWTGGYSA-N	1	0	371.481	1.699	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)NC(C)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105661255	842680474	/nfs/dbraw/zinc/68/04/74/842680474.db2.gz	GIJSXDQLGUVMPD-WOCWXWTJSA-N	1	0	365.518	1.443	20	30		FDEDRO
C=CCN1CC[C@@H](N2CC[C@H](NC(=O)c3cnc(Cl)n3C)[C@H]2C)C1=O	ZINC001088746855	842772462	/nfs/dbraw/zinc/77/24/62/842772462.db2.gz	YINPNOINJNKKCV-FRRDWIJNSA-N	1	0	365.865	1.053	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(=O)N(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105663383	842809668	/nfs/dbraw/zinc/80/96/68/842809668.db2.gz	SNTNJJCEQQNDFU-DTDBQYNISA-N	1	0	371.909	1.183	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(=O)N(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105663387	842810480	/nfs/dbraw/zinc/81/04/80/842810480.db2.gz	SNTNJJCEQQNDFU-KJWYOANISA-N	1	0	371.909	1.183	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCOCCCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105666103	843075253	/nfs/dbraw/zinc/07/52/53/843075253.db2.gz	CVBADZUQRMPWJM-JYBIWHBTSA-N	1	0	366.502	1.029	20	30		FDEDRO
CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N[C@@H]2CCC[C@@H]2C#N)CC1	ZINC000461777629	843152142	/nfs/dbraw/zinc/15/21/42/843152142.db2.gz	NDQSNPWBVXPEEQ-UKRRQHHQSA-N	1	0	358.446	1.287	20	30		FDEDRO
CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N[C@H]2CCC[C@H]2C#N)CC1	ZINC000461777630	843152175	/nfs/dbraw/zinc/15/21/75/843152175.db2.gz	NDQSNPWBVXPEEQ-ZFWWWQNUSA-N	1	0	358.446	1.287	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH]c(C)cc3=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105666957	843368489	/nfs/dbraw/zinc/36/84/89/843368489.db2.gz	LXGKBVLAXBMSLU-RDPOXOKHSA-N	1	0	371.481	1.286	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)C[C@@H](C)C(=O)NC)cc1	ZINC000478039013	843518119	/nfs/dbraw/zinc/51/81/19/843518119.db2.gz	WUWWNIMEVNKBKP-OAHLLOKOSA-N	1	0	360.458	1.646	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(CCOC)CCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667335	843611356	/nfs/dbraw/zinc/61/13/56/843611356.db2.gz	ARHXCKIQCRRURX-NEYJZJCJSA-N	1	0	362.514	1.793	20	30		FDEDRO
N#CCN1CCC[C@@H](CNC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)C1	ZINC000478315315	843686363	/nfs/dbraw/zinc/68/63/63/843686363.db2.gz	VNIOIOVBDWPNQG-VQTJNVASSA-N	1	0	370.497	1.629	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCC#N)C2)[C@@H]1C(C)C	ZINC001105668411	843794398	/nfs/dbraw/zinc/79/43/98/843794398.db2.gz	WVHDSSNGHAQWDB-ZAWLATJESA-N	1	0	350.507	1.208	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3nnc[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105668449	843796260	/nfs/dbraw/zinc/79/62/60/843796260.db2.gz	XWPGCUGQIHRYBR-OHDICMOHSA-N	1	0	361.490	1.280	20	30		FDEDRO
C=CCCC[C@@H](NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccccc1	ZINC000898441806	844701060	/nfs/dbraw/zinc/70/10/60/844701060.db2.gz	GLTODTUBWOVBTF-IPMKNSEASA-N	1	0	371.481	1.478	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nonc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105672434	845147561	/nfs/dbraw/zinc/14/75/61/845147561.db2.gz	AFOWISZDBPYCIG-LFEHRJTNSA-N	1	0	362.474	1.924	20	30		FDEDRO
CN(C)c1ccc([C@@H](CNC(=O)N2CCO[C@](C)(C#N)C2)[NH+](C)C)cc1	ZINC000899095821	845756968	/nfs/dbraw/zinc/75/69/68/845756968.db2.gz	MXZXXVFQHNAITB-IEBWSBKVSA-N	1	0	359.474	1.679	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000899129625	845834475	/nfs/dbraw/zinc/83/44/75/845834475.db2.gz	ZLIQJCTVDKKIJW-QYZOEREBSA-N	1	0	370.497	1.889	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC[C@@H]2CCN(C(=O)[C@]34C[C@H]3CCC4)C2)CC1	ZINC001060091024	846853018	/nfs/dbraw/zinc/85/30/18/846853018.db2.gz	VEZVIUXELXTTEV-SFGWALBWSA-N	1	0	371.525	1.877	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000899945828	846921839	/nfs/dbraw/zinc/92/18/39/846921839.db2.gz	VXHIQZCZLLLDGP-IBGZPJMESA-N	1	0	370.497	1.702	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)NC[C@H](c1ccc(OC)cc1)N1CCOCC1	ZINC000899957351	846944758	/nfs/dbraw/zinc/94/47/58/846944758.db2.gz	QLGYKBSHBFAGIY-LJQANCHMSA-N	1	0	361.486	1.693	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCCCC(=O)N4)[C@@H]3C2)c1	ZINC001076230366	847618491	/nfs/dbraw/zinc/61/84/91/847618491.db2.gz	RROCPTAOLGZQCL-IPMKNSEASA-N	1	0	366.465	1.650	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4cccnc4C)[C@@H]3C2)C1=O	ZINC001076236114	847640812	/nfs/dbraw/zinc/64/08/12/847640812.db2.gz	WCTFLNBIEWUNBC-GBESFXJTSA-N	1	0	368.481	1.252	20	30		FDEDRO
C=C(Br)CN1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1	ZINC001076242762	847667748	/nfs/dbraw/zinc/66/77/48/847667748.db2.gz	QPNGZIVKMMBDHO-AEGPPILISA-N	1	0	356.308	1.770	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cnn(C)c4)C[C@H]32)cc1	ZINC001076333445	847907446	/nfs/dbraw/zinc/90/74/46/847907446.db2.gz	ABBYPBJBVMBZIH-AZUAARDMSA-N	1	0	364.449	1.779	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CC[C@H]3C[N@H+](CC[C@H]4CCOC4)C[C@H]32)nn1	ZINC001076344845	847918999	/nfs/dbraw/zinc/91/89/99/847918999.db2.gz	BQIRHRLHDWEFRD-XYJFISCASA-N	1	0	359.474	1.427	20	30		FDEDRO
C[NH+]=C(NCC(=O)NC1CCCCC1)N1CC[C@H](C)[C@H](n2ccnc2)C1	ZINC000160118203	848318703	/nfs/dbraw/zinc/31/87/03/848318703.db2.gz	CCBATBZTQHCPLP-DOTOQJQBSA-N	1	0	360.506	1.790	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(F)(F)F)C1	ZINC000913336065	861893041	/nfs/dbraw/zinc/89/30/41/861893041.db2.gz	DDVMYPBRRTUTKA-AJNGGQMLSA-N	1	0	373.419	1.752	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cnnn4)cc3)[C@@H]2C1	ZINC001076540683	848373339	/nfs/dbraw/zinc/37/33/39/848373339.db2.gz	XZNXUVREAIFECU-FUHWJXTLSA-N	1	0	352.442	1.775	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000938231131	848517613	/nfs/dbraw/zinc/51/76/13/848517613.db2.gz	IFUMXICVPFBURL-IXDOHACOSA-N	1	0	371.481	1.922	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(Cc4cc(C)on4)C[C@H]32)CC1	ZINC001076604936	848554850	/nfs/dbraw/zinc/55/48/50/848554850.db2.gz	YYAUWDMXUMRGFD-PKOBYXMFSA-N	1	0	356.470	1.361	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(Cc4nocc4C)C[C@H]32)CC1	ZINC001076605695	848556008	/nfs/dbraw/zinc/55/60/08/848556008.db2.gz	NJJSOAGNUSJKNE-PKOBYXMFSA-N	1	0	356.470	1.361	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(Cc4nc(CC)no4)C[C@H]32)CC1	ZINC001076605468	848556218	/nfs/dbraw/zinc/55/62/18/848556218.db2.gz	BOXDNXCNPWRHKG-DLBZAZTESA-N	1	0	371.485	1.010	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc4ncccc4c3)C[C@H]2O)c[nH]1	ZINC001076907371	849301948	/nfs/dbraw/zinc/30/19/48/849301948.db2.gz	MOFUXZDWINYUBZ-RTBURBONSA-N	1	0	361.405	1.410	20	30		FDEDRO
COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3coc(C)c3)C2)cc1C#N	ZINC001076928438	849342139	/nfs/dbraw/zinc/34/21/39/849342139.db2.gz	SVMRSWISUQFZBN-IAGOWNOFSA-N	1	0	355.394	1.443	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@](C)(C(N)=O)C1	ZINC000483279898	849433756	/nfs/dbraw/zinc/43/37/56/849433756.db2.gz	NQHUVPOBFXREOI-LIRRHRJNSA-N	1	0	358.442	1.528	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)[C@@H](O)C2)cc1	ZINC001083560008	849564243	/nfs/dbraw/zinc/56/42/43/849564243.db2.gz	MFPXYLQOLLQICA-MOPGFXCFSA-N	1	0	368.481	1.096	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](C[C@@H](OC)c2ccccc2)C[C@H]1O	ZINC001077139023	849872989	/nfs/dbraw/zinc/87/29/89/849872989.db2.gz	UJMNGNBNXZOJMI-MISYRCLQSA-N	1	0	369.465	1.837	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O	ZINC001077280534	850383032	/nfs/dbraw/zinc/38/30/32/850383032.db2.gz	CAKYHVPNDVVBRC-VAMGGRTRSA-N	1	0	370.497	1.340	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2CN(Cc3conc3C)C[C@@H]2O)cc1	ZINC001083578076	850917735	/nfs/dbraw/zinc/91/77/35/850917735.db2.gz	UKWYKXVBCBJUBA-MSOLQXFVSA-N	1	0	357.410	1.523	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)Cc1nc(-c2cccc(C[NH+]3CCCC3)c2)no1	ZINC000904089378	850953742	/nfs/dbraw/zinc/95/37/42/850953742.db2.gz	JMYDJCAIZFZCJX-INIZCTEOSA-N	1	0	356.426	1.931	20	30		FDEDRO
CN(Cc1ccccc1)C(=O)Cc1noc(C2CC3(C2)C[NH2+]C[C@@H]3C#N)n1	ZINC000904112404	850965396	/nfs/dbraw/zinc/96/53/96/850965396.db2.gz	GESDLONDVVANFJ-NGEICVOHSA-N	1	0	365.437	1.877	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N2CC[NH2+]CCC23CCOCC3)cc1	ZINC000904304145	851089644	/nfs/dbraw/zinc/08/96/44/851089644.db2.gz	SJQQFUGNQAYHPT-UHFFFAOYSA-N	1	0	372.469	1.979	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)C1	ZINC000668434698	851561156	/nfs/dbraw/zinc/56/11/56/851561156.db2.gz	QFUDODXQNJGKEL-ZWKOTPCHSA-N	1	0	364.534	1.189	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1	ZINC000904986371	851586413	/nfs/dbraw/zinc/58/64/13/851586413.db2.gz	JJTVKWDLLJNVSN-CABCVRRESA-N	1	0	360.483	1.426	20	30		FDEDRO
CC(C)C[C@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)C(=O)NCC[NH+](C)C	ZINC000491051791	862284116	/nfs/dbraw/zinc/28/41/16/862284116.db2.gz	PDHBDWLTUXHERQ-SFHVURJKSA-N	1	0	373.501	1.447	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1cc(Br)cc2c1OCCO2	ZINC000913523929	862289124	/nfs/dbraw/zinc/28/91/24/862289124.db2.gz	RTJSUKSNLDVQNP-UHFFFAOYSA-N	1	0	353.216	1.515	20	30		FDEDRO
CC1(C)[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000905357429	851855972	/nfs/dbraw/zinc/85/59/72/851855972.db2.gz	MNTOTIGXIPEUIP-GFCCVEGCSA-N	1	0	358.261	1.740	20	30		FDEDRO
CCn1c(SCC(=O)NCC#CC[NH+](C)C)nnc1-c1cccs1	ZINC000913515300	862294896	/nfs/dbraw/zinc/29/48/96/862294896.db2.gz	QVYZAUMSZDLGCI-UHFFFAOYSA-N	1	0	363.512	1.800	20	30		FDEDRO
C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCC#CC[NH+](C)C	ZINC000913515073	862295144	/nfs/dbraw/zinc/29/51/44/862295144.db2.gz	HQAZHHKGNYQLKZ-CYBMUJFWSA-N	1	0	351.447	1.567	20	30		FDEDRO
C#CCC[C@H](O)C[NH2+]C[C@]1(O)CCCN(C(=O)OCc2ccccc2)C1	ZINC000905365342	851892418	/nfs/dbraw/zinc/89/24/18/851892418.db2.gz	OLFKMAMWGKISRK-AZUAARDMSA-N	1	0	360.454	1.514	20	30		FDEDRO
C#CC[C@H](CCOC)[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1	ZINC000905398833	851904447	/nfs/dbraw/zinc/90/44/47/851904447.db2.gz	KHYQSKVQGOMHGB-HUUCEWRRSA-N	1	0	360.520	1.006	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2	ZINC000913516469	862298697	/nfs/dbraw/zinc/29/86/97/862298697.db2.gz	RELJAKVSGNUKOK-ONUXSRJRSA-N	1	0	371.525	1.875	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1	ZINC000913516434	862299517	/nfs/dbraw/zinc/29/95/17/862299517.db2.gz	PVDABWHBSCNVPX-UHFFFAOYSA-N	1	0	369.462	1.197	20	30		FDEDRO
Cc1nc(C=NNC(=S)NCCC[NH+](C)C)sc1Br	ZINC000905448852	851927323	/nfs/dbraw/zinc/92/73/23/851927323.db2.gz	SCOUEYCPXZQQCA-UHFFFAOYSA-N	1	0	364.338	1.964	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CC2(CCOCC2)Oc2ccccc21	ZINC000905450628	851928804	/nfs/dbraw/zinc/92/88/04/851928804.db2.gz	HKAURAFCRGIQRP-SJLPKXTDSA-N	1	0	359.470	1.855	20	30		FDEDRO
C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NCC#CC[NH+](C)C	ZINC000913517004	862301009	/nfs/dbraw/zinc/30/10/09/862301009.db2.gz	OOBKQVVHENCZRV-JTQLQIEISA-N	1	0	372.288	1.310	20	30		FDEDRO
COc1ccc([C@@H]2[C@H](C(=O)NCC#CC[NH+](C)C)CCC(=O)N2C)cc1	ZINC000913519284	862303947	/nfs/dbraw/zinc/30/39/47/862303947.db2.gz	USMMZWMDNHPGDY-IEBWSBKVSA-N	1	0	357.454	1.286	20	30		FDEDRO
C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+]C[C@@H](O)COc1ccccc1C#N)O2	ZINC000905487198	851987941	/nfs/dbraw/zinc/98/79/41/851987941.db2.gz	SFZDXZXBABHLLB-XXECKMAJSA-N	1	0	360.454	1.860	20	30		FDEDRO
C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]CCS(=O)(=O)c3ccc(C#N)cc3)O2)CO1	ZINC000905488378	851990039	/nfs/dbraw/zinc/99/00/39/851990039.db2.gz	WSSAREZREYXVDZ-UWWQBHOKSA-N	1	0	364.467	1.648	20	30		FDEDRO
C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1	ZINC000668464407	852025995	/nfs/dbraw/zinc/02/59/95/852025995.db2.gz	BSDOBJNVZUJXNY-FUHWJXTLSA-N	1	0	364.534	1.380	20	30		FDEDRO
C[C@@H]1Cc2cc(C[NH2+]CCS(=O)(=O)c3ccc(C#N)cn3)ccc2O1	ZINC000905564419	852038933	/nfs/dbraw/zinc/03/89/33/852038933.db2.gz	MBOFBBALUCDIJD-CYBMUJFWSA-N	1	0	357.435	1.840	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]1C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1	ZINC000905591243	852082518	/nfs/dbraw/zinc/08/25/18/852082518.db2.gz	HUNOJTQFNGBJMB-GJZGRUSLSA-N	1	0	353.463	1.657	20	30		FDEDRO
Cc1cc(C(=O)N2CCN(C(=O)N3CCN(C)CC3)CC2)cc(C)c1C#N	ZINC000906606157	853076354	/nfs/dbraw/zinc/07/63/54/853076354.db2.gz	NBWQVIFODMMXTI-UHFFFAOYSA-N	1	0	369.469	1.300	20	30		FDEDRO
C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@]2(C#N)CC3CCC2CC3)CC1	ZINC000906683789	853162026	/nfs/dbraw/zinc/16/20/26/853162026.db2.gz	PXORJVQEZJJKSV-LAGYLCCXSA-N	1	0	360.502	1.623	20	30		FDEDRO
CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000906709740	853198347	/nfs/dbraw/zinc/19/83/47/853198347.db2.gz	VVXPYWMORIDHKO-LBPRGKRZSA-N	1	0	354.332	1.630	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC2CC[NH+](CCc3ccccc3)CC2)nc1	ZINC000906838333	853383124	/nfs/dbraw/zinc/38/31/24/853383124.db2.gz	SDBBWRRWBAXSMB-UHFFFAOYSA-N	1	0	370.478	1.939	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H](NC(=O)c3cccn4nccc34)[C@@H](O)C2)s1	ZINC001083603274	853446628	/nfs/dbraw/zinc/44/66/28/853446628.db2.gz	OLFZDTFZZLXRQS-WBVHZDCISA-N	1	0	367.434	1.243	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1	ZINC001060256935	862492589	/nfs/dbraw/zinc/49/25/89/862492589.db2.gz	SPOCLOPRDHOHGO-AOIWGVFYSA-N	1	0	365.518	1.664	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)nc1	ZINC000907252609	853988554	/nfs/dbraw/zinc/98/85/54/853988554.db2.gz	GVVMAMROZXZJLZ-ZWKOTPCHSA-N	1	0	368.462	1.848	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C(=O)OC)c(Cl)o1	ZINC000907428346	854197623	/nfs/dbraw/zinc/19/76/23/854197623.db2.gz	CHGTZZNUFFDVLR-UHFFFAOYSA-N	1	0	374.846	1.438	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)CC2)c1C#N	ZINC000907664196	854481537	/nfs/dbraw/zinc/48/15/37/854481537.db2.gz	OPPIEXGSMHHGCO-NVXWUHKLSA-N	1	0	356.474	1.266	20	30		FDEDRO
O=C(CC1([NH+]2CCOCC2)CCCC1)NCc1ccc(C(=O)NO)cc1	ZINC000907817297	854684048	/nfs/dbraw/zinc/68/40/48/854684048.db2.gz	JRRHDNSSZNRMDJ-UHFFFAOYSA-N	1	0	361.442	1.457	20	30		FDEDRO
C[NH+](C)CCn1nccc1C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000908345917	855324068	/nfs/dbraw/zinc/32/40/68/855324068.db2.gz	HWMNOMQIJOWCFG-OAHLLOKOSA-N	1	0	354.414	1.005	20	30		FDEDRO
CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc(C#N)nc2)[NH+](C)C)cc1	ZINC000908457568	855469349	/nfs/dbraw/zinc/46/93/49/855469349.db2.gz	FYKQBOBBCPJMRT-SFHVURJKSA-N	1	0	373.482	1.600	20	30		FDEDRO
O=C(N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O)[C@@H]1Cc2ccccc2O1	ZINC001083618617	855472466	/nfs/dbraw/zinc/47/24/66/855472466.db2.gz	LJCSBDBRGDAWTD-DYXWJJEUSA-N	1	0	362.429	1.203	20	30		FDEDRO
N#Cc1cccc(CN2C[C@@H](O)[C@H](NC(=O)c3nccc4occc43)C2)c1	ZINC001077429036	855539327	/nfs/dbraw/zinc/53/93/27/855539327.db2.gz	ATTVFXAAGVLTDE-IAGOWNOFSA-N	1	0	362.389	1.675	20	30		FDEDRO
C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1	ZINC000909231654	856333826	/nfs/dbraw/zinc/33/38/26/856333826.db2.gz	FVSSZPXIIKIYLI-TXPKVOOTSA-N	1	0	363.506	1.966	20	30		FDEDRO
C=C(C)Cn1c(-c2cccnn2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000909308593	856422264	/nfs/dbraw/zinc/42/22/64/856422264.db2.gz	GBLGRJABEBKNTE-INIZCTEOSA-N	1	0	369.473	1.470	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCOc3ccccc3[C@@H]2C)CC1	ZINC000668835933	857529410	/nfs/dbraw/zinc/52/94/10/857529410.db2.gz	MOFZJMFDOUFIIO-HNNXBMFYSA-N	1	0	357.454	1.735	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(F)c(C)c1)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000155849532	857694366	/nfs/dbraw/zinc/69/43/66/857694366.db2.gz	UYZWVZXVPHFJSQ-UHFFFAOYSA-N	1	0	372.448	1.682	20	30		FDEDRO
C#CCN(C(=O)C(=O)N(C)Cc1ccccc1SC)C1CC[NH+](C)CC1	ZINC000910882655	857832183	/nfs/dbraw/zinc/83/21/83/857832183.db2.gz	GWNGHLAGCSADLR-UHFFFAOYSA-N	1	0	373.522	1.923	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CC[C@H](c2nc(C)cs2)C1)C1CC[NH+](C)CC1	ZINC000910887009	857841625	/nfs/dbraw/zinc/84/16/25/857841625.db2.gz	PCHJVYKBCBFCBQ-HNNXBMFYSA-N	1	0	374.510	1.323	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[NH2+]C[C@H]1CCOC	ZINC000911050012	858042610	/nfs/dbraw/zinc/04/26/10/858042610.db2.gz	TZSFQVUZPMYFMN-QZTJIDSGSA-N	1	0	359.470	1.127	20	30		FDEDRO
C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1	ZINC000669331590	862985680	/nfs/dbraw/zinc/98/56/80/862985680.db2.gz	MBSHAEJYHPXEEO-HNNXBMFYSA-N	1	0	356.478	1.714	20	30		FDEDRO
CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCc2cc(C#N)ccc2F)C1	ZINC000911402296	858588587	/nfs/dbraw/zinc/58/85/87/858588587.db2.gz	DTJXEWKZYFWUPT-LJQANCHMSA-N	1	0	360.433	1.537	20	30		FDEDRO
C=CCN(CC1CCCCC1)C(=O)C(=O)NCCN1CCC([NH3+])CC1	ZINC000911413545	858603753	/nfs/dbraw/zinc/60/37/53/858603753.db2.gz	UWQPVOZUYFVTDC-UHFFFAOYSA-N	1	0	350.507	1.121	20	30		FDEDRO
N#Cc1ncn(CC(=O)N[C@@H]2c3ccccc3CC[C@@H]2[NH+]2CCCC2)n1	ZINC000911569230	858791692	/nfs/dbraw/zinc/79/16/92/858791692.db2.gz	PTEGJPHNODGOTK-QFBILLFUSA-N	1	0	350.426	1.418	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCn2c(Cc3cccc(F)c3)nnc2C1	ZINC000911869036	859056364	/nfs/dbraw/zinc/05/63/64/859056364.db2.gz	VDCVHNDTXPLMAB-UHFFFAOYSA-N	1	0	357.433	1.858	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@]1(C(=O)OC)CCC[N@H+](Cc2ccccc2)C1	ZINC000912037022	859251879	/nfs/dbraw/zinc/25/18/79/859251879.db2.gz	IYISXIFHPFVZQA-PMACEKPBSA-N	1	0	360.454	1.638	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3ccnn3)cc2)C[C@H]1C	ZINC001106866716	881418679	/nfs/dbraw/zinc/41/86/79/881418679.db2.gz	KCAYAMPFVACYFG-SJLPKXTDSA-N	1	0	367.453	1.215	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1NC(=O)C[C@]12CCN(C(=O)OC(C)(C)C)C2	ZINC000912262317	859517572	/nfs/dbraw/zinc/51/75/72/859517572.db2.gz	KBMPIJDKGPTHOZ-SFHVURJKSA-N	1	0	366.462	1.137	20	30		FDEDRO
CC(N=Nc1ccccn1)c1ccc(S(=O)(=O)N2CCNCC2)cc1	ZINC000916276336	881509549	/nfs/dbraw/zinc/50/95/49/881509549.db2.gz	XNPIIFHAJQXMET-UHFFFAOYSA-N	1	0	359.455	1.512	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCCN(C)C2=O)C[C@H]1C	ZINC001106871904	881561315	/nfs/dbraw/zinc/56/13/15/881561315.db2.gz	VREJIKBHIPEWDA-ZACQAIPSSA-N	1	0	351.491	1.132	20	30		FDEDRO
C#CCN(C(=O)NCCCc1nnc2n1CCCCC2)C1CC[NH+](C)CC1	ZINC000916424063	881597871	/nfs/dbraw/zinc/59/78/71/881597871.db2.gz	ALJUMYMQTIPETA-UHFFFAOYSA-N	1	0	372.517	1.676	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2C[C@@H](C[C@H]3COCC[NH2+]3)c3ccccc32)o1	ZINC000923745517	863314869	/nfs/dbraw/zinc/31/48/69/863314869.db2.gz	UXXHOFKSYXUOMT-KGLIPLIRSA-N	1	0	373.434	1.822	20	30		FDEDRO
C[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001105810905	863325570	/nfs/dbraw/zinc/32/55/70/863325570.db2.gz	DKXZNNONLRCGRJ-IEBWSBKVSA-N	1	0	353.466	1.345	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001105833882	863417379	/nfs/dbraw/zinc/41/73/79/863417379.db2.gz	IKCLHZLVGGTMEV-SJLPKXTDSA-N	1	0	369.444	1.543	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]Cc1ccc2nonc2c1	ZINC001105846282	863475773	/nfs/dbraw/zinc/47/57/73/863475773.db2.gz	PIHRZPZQHIALMH-TZMCWYRMSA-N	1	0	359.455	1.664	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C)C(=O)NC1CCCC1	ZINC001105850136	863486288	/nfs/dbraw/zinc/48/62/88/863486288.db2.gz	IGNLLEAZZNSYJQ-QLFBSQMISA-N	1	0	366.531	1.375	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]Cc1noc2c1COCC2	ZINC001105848373	863493939	/nfs/dbraw/zinc/49/39/39/863493939.db2.gz	YFJYYXXUDIQNER-CHWSQXEVSA-N	1	0	364.471	1.188	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)/C(C)=C\CC)C[C@H]1C	ZINC001105894036	863735227	/nfs/dbraw/zinc/73/52/27/863735227.db2.gz	NLSTWJHJHUYMAO-JRSURXRJSA-N	1	0	364.490	1.427	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnc(C)s2)C[C@H]1C	ZINC001105911250	863932505	/nfs/dbraw/zinc/93/25/05/863932505.db2.gz	NWTMQFHSKKLNJQ-MBNYWOFBSA-N	1	0	350.488	1.440	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NCC=C)[C@H](C)C1	ZINC001105924689	864040899	/nfs/dbraw/zinc/04/08/99/864040899.db2.gz	WDRKGXVLVRCAMW-RBSFLKMASA-N	1	0	350.463	1.037	20	30		FDEDRO
CCNC(=O)CCC(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1	ZINC001105931772	864076484	/nfs/dbraw/zinc/07/64/84/864076484.db2.gz	QZRLZMBDWKTICL-CRAIPNDOSA-N	1	0	356.470	1.659	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)C(C)C)C[C@H]1C	ZINC001105930499	864083286	/nfs/dbraw/zinc/08/32/86/864083286.db2.gz	XXJHNPYGJYXBQT-ARFHVFGLSA-N	1	0	366.506	1.365	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NCCC(C)C)[C@H](C)C1	ZINC001105937861	864130443	/nfs/dbraw/zinc/13/04/43/864130443.db2.gz	IYHNNDOXYANMNN-IXDOHACOSA-N	1	0	353.507	1.424	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CCCS(=O)(=O)C(C)C)[C@H](C)C1	ZINC001105938372	864133506	/nfs/dbraw/zinc/13/35/06/864133506.db2.gz	RTUGMYFIBXTBBL-HZPDHXFCSA-N	1	0	360.520	1.086	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]CCS(=O)(=O)c2ccccc2)[C@H](C)C1	ZINC001105946492	864190370	/nfs/dbraw/zinc/19/03/70/864190370.db2.gz	VVRKPBOPKASYSZ-ARFHVFGLSA-N	1	0	363.483	1.304	20	30		FDEDRO
CCN(CCC#N)CN1C(=O)N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O	ZINC000060212025	864298726	/nfs/dbraw/zinc/29/87/26/864298726.db2.gz	UMYVEQPAENQLNO-HXUWFJFHSA-N	1	0	369.469	1.766	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ocnc2C)C[C@H]1C	ZINC001105982191	864327894	/nfs/dbraw/zinc/32/78/94/864327894.db2.gz	MTAUCKMIEPRRTO-UKRRQHHQSA-N	1	0	361.446	1.043	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(C)(C)C)[C@H](C)C1	ZINC001105984276	864340544	/nfs/dbraw/zinc/34/05/44/864340544.db2.gz	CSOXHTSLOKJHHR-BRWVUGGUSA-N	1	0	367.534	1.957	20	30		FDEDRO
CCC(C)(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC001105985433	864347430	/nfs/dbraw/zinc/34/74/30/864347430.db2.gz	JPWIENSMHLVLNW-UKRRQHHQSA-N	1	0	359.474	1.489	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)nn2)[C@H](C)C1	ZINC001105987468	864364274	/nfs/dbraw/zinc/36/42/74/864364274.db2.gz	IKRNHAGMVRVJPC-HZPDHXFCSA-N	1	0	362.474	1.652	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2cnc3n[nH]nc3c2)[C@H](OC)C1	ZINC001212414558	912213738	/nfs/dbraw/zinc/21/37/38/912213738.db2.gz	NSAOKWTVONOFHR-HZPDHXFCSA-N	1	0	360.462	1.752	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCCO2)C[C@H]1C	ZINC001106012352	864644866	/nfs/dbraw/zinc/64/48/66/864644866.db2.gz	ILDDAIIIHZSJHU-BRWVUGGUSA-N	1	0	364.490	1.002	20	30		FDEDRO
CC(C)N(C)C(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC001106016158	864655674	/nfs/dbraw/zinc/65/56/74/864655674.db2.gz	RDQABELZQFCYOR-RBSFLKMASA-N	1	0	359.474	1.439	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3C)CC1	ZINC000916595741	881798111	/nfs/dbraw/zinc/79/81/11/881798111.db2.gz	AOPZNNJPIUDMHX-CQSZACIVSA-N	1	0	354.454	1.663	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@H+]2CC[C@H](C)C2)cc1	ZINC001004872228	881810928	/nfs/dbraw/zinc/81/09/28/881810928.db2.gz	BMQLFGOFCABIHS-OBZTUIKSSA-N	1	0	365.477	1.871	20	30		FDEDRO
C[C@H](NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C)C1CC1	ZINC001106029526	864884963	/nfs/dbraw/zinc/88/49/63/864884963.db2.gz	WEWBLHJXASQUOK-DVOMOZLQSA-N	1	0	357.458	1.099	20	30		FDEDRO
N#Cc1ccccc1CN1C(=O)CN(CN2CC[C@@H]([NH+]3CCCC3)C2)C1=O	ZINC000170728682	864902079	/nfs/dbraw/zinc/90/20/79/864902079.db2.gz	VYEMVAVYVFEPOH-GOSISDBHSA-N	1	0	367.453	1.450	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2csc(CC)n2)[C@H](C)C1	ZINC001106034419	864912534	/nfs/dbraw/zinc/91/25/34/864912534.db2.gz	DPGSJBJLCUMQQQ-ZIAGYGMSSA-N	1	0	362.499	1.029	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCc3ccc(F)cc32)[C@H](C)C1	ZINC001106035626	864916181	/nfs/dbraw/zinc/91/61/81/864916181.db2.gz	WDYKMWYTCDJHEY-OGWOLHLISA-N	1	0	371.456	1.637	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C2=CCOCC2)C[C@H]1C	ZINC001106043189	864960415	/nfs/dbraw/zinc/96/04/15/864960415.db2.gz	JWKNQULIQNXLTP-SJLPKXTDSA-N	1	0	363.502	1.442	20	30		FDEDRO
Cc1cc(C(=O)NCCN2CC[NH+](C)CC2)c(C)n1-c1ccc(C#N)cc1	ZINC000170920340	865018421	/nfs/dbraw/zinc/01/84/21/865018421.db2.gz	BDMBFRGATDWQAP-UHFFFAOYSA-N	1	0	365.481	1.943	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)C12CCC[NH+]1CCC2	ZINC001077476391	865044680	/nfs/dbraw/zinc/04/46/80/865044680.db2.gz	APHQNSYVGVMOSH-ULQDDVLXSA-N	1	0	363.502	1.607	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccc(O)cc2)[C@H](C)C1	ZINC001106057203	865053828	/nfs/dbraw/zinc/05/38/28/865053828.db2.gz	XIEHMPMCIYFXSM-HZPDHXFCSA-N	1	0	357.454	1.818	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NCc2ccco2)[C@H](C)C1	ZINC001106056729	865057017	/nfs/dbraw/zinc/05/70/17/865057017.db2.gz	DFACKPSGWWYWAD-IXDOHACOSA-N	1	0	359.470	1.772	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(CCC)CCC)[C@H](C)C1	ZINC001106059181	865069231	/nfs/dbraw/zinc/06/92/31/865069231.db2.gz	OGFUHSRZXIEHOD-MBOZVWFJSA-N	1	0	367.534	1.646	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2nccs2)[C@H](C)C1	ZINC001106059560	865070692	/nfs/dbraw/zinc/07/06/92/865070692.db2.gz	XUCHVCRGALLXDN-XNJGSVPQSA-N	1	0	366.487	1.093	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2cc(OC)ns2)[C@H](C)C1	ZINC001106059507	865071000	/nfs/dbraw/zinc/07/10/00/865071000.db2.gz	XGLMYNDWIFODPK-XNJGSVPQSA-N	1	0	353.488	1.663	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nc(C(C)C)no2)[C@H](C)C1	ZINC001106059512	865071359	/nfs/dbraw/zinc/07/13/59/865071359.db2.gz	XNGYOJRJBCFUFS-HBUWYVDXSA-N	1	0	350.463	1.704	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nnc(C(C)(C)C)o2)[C@H](C)C1	ZINC001106065184	865105270	/nfs/dbraw/zinc/10/52/70/865105270.db2.gz	SJCBHFBDVUVBKO-PJIJBLCYSA-N	1	0	364.490	1.878	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc3nonc3c2)[C@H](C)C1	ZINC001106065054	865105921	/nfs/dbraw/zinc/10/59/21/865105921.db2.gz	NWXXABVUOKZMDN-ZXYWRSMDSA-N	1	0	358.442	1.734	20	30		FDEDRO
CC(C)c1nnnn1CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C	ZINC001088908428	865379411	/nfs/dbraw/zinc/37/94/11/865379411.db2.gz	XXBYUUDVEGZNEP-PBHICJAKSA-N	1	0	367.457	1.447	20	30		FDEDRO
C=CCC(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001061590845	881871752	/nfs/dbraw/zinc/87/17/52/881871752.db2.gz	AMDGYSMSHIWRIX-BZUAXINKSA-N	1	0	351.491	1.273	20	30		FDEDRO
CCC(=O)N1CC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)C1	ZINC001088963680	865752440	/nfs/dbraw/zinc/75/24/40/865752440.db2.gz	RKEOYAVFLCEGET-MNEFBYGVSA-N	1	0	368.481	1.896	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](F)CC2CCCCC2)C[C@H]1C	ZINC001106882003	881908799	/nfs/dbraw/zinc/90/87/99/881908799.db2.gz	OJXYBHOVUGONHQ-KBAYOESNSA-N	1	0	365.493	1.728	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC(=O)N2C)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001089012341	866019117	/nfs/dbraw/zinc/01/91/17/866019117.db2.gz	RVYMIINWAKFHKP-FHLIZLRMSA-N	1	0	354.454	1.648	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)[C@H](OC)C2)CC1	ZINC000946770700	881979798	/nfs/dbraw/zinc/97/97/98/881979798.db2.gz	RPLHDTLLBPBWOG-KBAYOESNSA-N	1	0	363.502	1.559	20	30		FDEDRO
CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000456362527	866882416	/nfs/dbraw/zinc/88/24/16/866882416.db2.gz	WSSSREVFOIQYTH-INIZCTEOSA-N	1	0	352.442	1.882	20	30		FDEDRO
CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1	ZINC000456535468	866962499	/nfs/dbraw/zinc/96/24/99/866962499.db2.gz	UOCYRFCUTHONKA-APWZRJJASA-N	1	0	368.481	1.992	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](OC)C1	ZINC000946777956	882083148	/nfs/dbraw/zinc/08/31/48/882083148.db2.gz	HMUWARANOOEDQQ-QINHECLXSA-N	1	0	365.518	1.663	20	30		FDEDRO
Cc1cc(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)ncc1C#N	ZINC000457630938	867583732	/nfs/dbraw/zinc/58/37/32/867583732.db2.gz	MPAQSQLYRVPCAR-UHFFFAOYSA-N	1	0	371.485	1.618	20	30		FDEDRO
C=CCn1c(-c2cccn2C)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000669811005	867634751	/nfs/dbraw/zinc/63/47/51/867634751.db2.gz	GCGKNCXIZLKGFD-MRXNPFEDSA-N	1	0	356.474	1.771	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1	ZINC000992071368	867662190	/nfs/dbraw/zinc/66/21/90/867662190.db2.gz	NLTXBSVQTPOMTN-KURKYZTESA-N	1	0	363.502	1.558	20	30		FDEDRO
COc1cc(CNC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)ccc1C#N	ZINC000462482181	868004188	/nfs/dbraw/zinc/00/41/88/868004188.db2.gz	VWFJVBLPZNYNJS-UHFFFAOYSA-N	1	0	373.501	1.734	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)/C=C(\C)CC)C[C@H]1C	ZINC001106097713	868027770	/nfs/dbraw/zinc/02/77/70/868027770.db2.gz	CCFUVLOMOGDGRH-BFLXNZELSA-N	1	0	364.490	1.427	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)Cc2ccccc2)[C@H](C)C1	ZINC001106099483	868051985	/nfs/dbraw/zinc/05/19/85/868051985.db2.gz	JMWAMBPMGMMULZ-UYAOXDASSA-N	1	0	369.509	1.989	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C[NH2+]CC(=O)NC1CCOCC1	ZINC001106106337	868175689	/nfs/dbraw/zinc/17/56/89/868175689.db2.gz	SHFWNYBEMKSUFA-HZPDHXFCSA-N	1	0	363.502	1.015	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]CC(=O)N1CCCCCCC1	ZINC001106106184	868179495	/nfs/dbraw/zinc/17/94/95/868179495.db2.gz	MROXJOYGYLOGHK-IEBWSBKVSA-N	1	0	359.514	1.877	20	30		FDEDRO
C[C@@H](C[NH2+]C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C)CS(C)(=O)=O	ZINC001106108227	868266970	/nfs/dbraw/zinc/26/69/70/868266970.db2.gz	SPYWJJIWWHJSCT-ARFHVFGLSA-N	1	0	356.532	1.401	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C[NH2+]Cc1nc(C2CC2)nn1C	ZINC001106109719	868310006	/nfs/dbraw/zinc/31/00/06/868310006.db2.gz	RNYYNZWDAGDMBJ-GDBMZVCRSA-N	1	0	357.502	1.926	20	30		FDEDRO
COCCO[C@H]1COCC[C@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000463276695	868428672	/nfs/dbraw/zinc/42/86/72/868428672.db2.gz	ANINPNIIYUIOGZ-RTWAWAEBSA-N	1	0	373.497	1.933	20	30		FDEDRO
COC(=O)[C@]1(c2ccccc2)CC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1	ZINC000428810894	868475391	/nfs/dbraw/zinc/47/53/91/868475391.db2.gz	YVUAIXUALYZOQQ-FOIQADDNSA-N	1	0	355.438	1.754	20	30		FDEDRO
COC(=O)[C@@]1(c2ccccc2)CC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1	ZINC000428810991	868477925	/nfs/dbraw/zinc/47/79/25/868477925.db2.gz	YVUAIXUALYZOQQ-YWZLYKJASA-N	1	0	355.438	1.754	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)Cc2ccccc2)[C@H](C)C1	ZINC001106114572	868498209	/nfs/dbraw/zinc/49/82/09/868498209.db2.gz	CWWMWJSVMMVAOZ-MISYRCLQSA-N	1	0	358.482	1.314	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccccc2C)[C@H](C)C1	ZINC001106115435	868523383	/nfs/dbraw/zinc/52/33/83/868523383.db2.gz	WSCQQWMCOPCZRX-QZTJIDSGSA-N	1	0	371.481	1.658	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2nnc(C(C)(C)C)o2)[C@H](C)C1	ZINC001106116322	868572552	/nfs/dbraw/zinc/57/25/52/868572552.db2.gz	ADCJKDKJANTMRC-HUUCEWRRSA-N	1	0	362.474	1.591	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cn(C(C)(C)C)nn2)[C@H](C)C1	ZINC001106116743	868580476	/nfs/dbraw/zinc/58/04/76/868580476.db2.gz	MBGWWHXFIBTEJM-BZUAXINKSA-N	1	0	361.490	1.256	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CCOCc2ccccc2)[C@H](C)C1	ZINC001106116908	868581483	/nfs/dbraw/zinc/58/14/83/868581483.db2.gz	SKQUMXUGKNSGDO-QWFCFKBJSA-N	1	0	358.482	1.926	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cn(C)nc2-c2ccco2)C[C@H]1C	ZINC001106117161	868587290	/nfs/dbraw/zinc/58/72/90/868587290.db2.gz	IIGLQCXFMYSQRO-HZPDHXFCSA-N	1	0	370.453	1.628	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(C)(C)C)[C@H](C)C1	ZINC001106117190	868587487	/nfs/dbraw/zinc/58/74/87/868587487.db2.gz	JJWNWWDUYDIOPW-OWCLPIDISA-N	1	0	351.491	1.014	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]CCCOCC(F)(F)F)[C@H](C)C1	ZINC001106117498	868609149	/nfs/dbraw/zinc/60/91/49/868609149.db2.gz	RRSJNYAGIYUUHM-HUUCEWRRSA-N	1	0	364.408	1.679	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)CO[C@H]2CCOC2)C[C@H]1C	ZINC001106120639	868734777	/nfs/dbraw/zinc/73/47/77/868734777.db2.gz	AABCAXQPFADTEX-BNOWGMLFSA-N	1	0	361.280	1.385	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)OCCCCCC)C[C@H]1C	ZINC001106120672	868738940	/nfs/dbraw/zinc/73/89/40/868738940.db2.gz	CCBKKIZSIUKEBT-KZNAEPCWSA-N	1	0	367.534	1.958	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1C	ZINC001106126920	868999861	/nfs/dbraw/zinc/99/98/61/868999861.db2.gz	XJNKRGAUDKBJDO-ZIAGYGMSSA-N	1	0	370.444	1.478	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)COc2c(C)nn(C)c2C)C[C@H]1C	ZINC001106133201	869988323	/nfs/dbraw/zinc/98/83/23/869988323.db2.gz	GIZKKXQYFXIUBC-RHSMWYFYSA-N	1	0	364.490	1.302	20	30		FDEDRO
C#CCN(C(=O)NCc1ccc(Cn2cncn2)cc1)C1CC[NH+](C)CC1	ZINC000913969178	870170079	/nfs/dbraw/zinc/17/00/79/870170079.db2.gz	IXCXEGLITSUUPH-UHFFFAOYSA-N	1	0	366.469	1.565	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@]3(C)C2)cc1	ZINC000992692709	871341224	/nfs/dbraw/zinc/34/12/24/871341224.db2.gz	ZUKYNEZIZDWGKA-DXIQSLLYSA-N	1	0	365.477	1.683	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCC)[C@H](C)C1	ZINC001106146845	871402314	/nfs/dbraw/zinc/40/23/14/871402314.db2.gz	MGISSYZYQIMHPZ-TVFCKZIOSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@H]1C	ZINC001106153461	871412847	/nfs/dbraw/zinc/41/28/47/871412847.db2.gz	CEXDFLFTWFCFEA-WWNBULGVSA-N	1	0	363.502	1.132	20	30		FDEDRO
C[C@@H]1CN(C(=O)Nc2nc(Cl)c(C#N)s2)CC[N@@H+]1CC(C)(C)O	ZINC000888419329	871554260	/nfs/dbraw/zinc/55/42/60/871554260.db2.gz	OTKRVSYJIZROIQ-SECBINFHSA-N	1	0	357.867	1.977	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)[C@H](C)C1	ZINC001106175774	871580685	/nfs/dbraw/zinc/58/06/85/871580685.db2.gz	UCXBICFEQCYNOE-SOLBZPMBSA-N	1	0	368.543	1.874	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NC)[C@H](C)C1	ZINC001106173863	871602233	/nfs/dbraw/zinc/60/22/33/871602233.db2.gz	JLHWENOWADFHRZ-IJEWVQPXSA-N	1	0	364.490	1.283	20	30		FDEDRO
C#CCN(C(=O)NCCCN(C)C(=O)OC(C)(C)C)C1CC[NH+](C)CC1	ZINC000914173694	871674774	/nfs/dbraw/zinc/67/47/74/871674774.db2.gz	WMCQYEFBXKMPNZ-UHFFFAOYSA-N	1	0	366.506	1.982	20	30		FDEDRO
CC(C)[C@H](C(=O)N1C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@]2(C)C1)[NH+](C)C	ZINC000992741019	871727672	/nfs/dbraw/zinc/72/76/72/871727672.db2.gz	QHSZOXOYBNSZPI-XAUMDUMWSA-N	1	0	371.485	1.393	20	30		FDEDRO
N#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1	ZINC001168700500	871837080	/nfs/dbraw/zinc/83/70/80/871837080.db2.gz	HGQROEPAIDUXLV-RBUKOAKNSA-N	1	0	364.449	1.679	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)/C(C)=C\C)C[C@]3(C)C2)CC1	ZINC000992755498	871919104	/nfs/dbraw/zinc/91/91/04/871919104.db2.gz	OMSJEOHHQSKHHW-HVRYDFSASA-N	1	0	357.498	1.605	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@]2(C)C1	ZINC000992789415	872173748	/nfs/dbraw/zinc/17/37/48/872173748.db2.gz	LDNDICWYZBYXPP-JNAXZKDPSA-N	1	0	369.469	1.291	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@]2(C)C1)[NH+](C)C	ZINC000992808024	872410376	/nfs/dbraw/zinc/41/03/76/872410376.db2.gz	LDASGOZBSVIZSN-GZRFBZBPSA-N	1	0	371.485	1.393	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1Cl	ZINC001212496726	872535020	/nfs/dbraw/zinc/53/50/20/872535020.db2.gz	AUZUKXXGKLJGJI-CYBMUJFWSA-N	1	0	357.863	1.337	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC001003150944	872668639	/nfs/dbraw/zinc/66/86/39/872668639.db2.gz	NBWMQLINHRFKBL-LZTJUBIUSA-N	1	0	355.442	1.088	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCN(C[C@H](C)O)C[C@H]1C	ZINC000914395925	872670209	/nfs/dbraw/zinc/67/02/09/872670209.db2.gz	SJMMWULVBAJYKD-CVEARBPZSA-N	1	0	365.499	1.392	20	30		FDEDRO
CC(C)N1CC[C@@H](NC(=O)Cn2cnc(C#N)n2)[C@H]1c1ccc(F)c(F)c1	ZINC000494092101	872809163	/nfs/dbraw/zinc/80/91/63/872809163.db2.gz	JBKSOMNTWMMEHN-CRAIPNDOSA-N	1	0	374.395	1.768	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NC)[C@H](C)C1	ZINC001106181197	873019404	/nfs/dbraw/zinc/01/94/04/873019404.db2.gz	KNZFEGYWEYMLFY-HZSPNIEDSA-N	1	0	352.479	1.117	20	30		FDEDRO
CC(C)[C@H](C(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1)[NH+]1CCCC1	ZINC000992894757	873105181	/nfs/dbraw/zinc/10/51/81/873105181.db2.gz	FWQJRBFJOIKEGI-CZTZKLFOSA-N	1	0	371.525	1.827	20	30		FDEDRO
C=CCN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)C1=O	ZINC001003330361	873138235	/nfs/dbraw/zinc/13/82/35/873138235.db2.gz	ABRXTTOZJVBZPR-LEUOFYLZSA-N	1	0	361.486	1.169	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2nocc2C)CC1	ZINC001003364995	873183305	/nfs/dbraw/zinc/18/33/05/873183305.db2.gz	GEAXFSVOEINKSA-ZACQAIPSSA-N	1	0	370.453	1.190	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2=COCCC2)CC1	ZINC001003362963	873215872	/nfs/dbraw/zinc/21/58/72/873215872.db2.gz	JFWIZQAOYGMZBH-QRVBRYPASA-N	1	0	371.481	1.274	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cccn2C)CC1	ZINC001003364094	873218863	/nfs/dbraw/zinc/21/88/63/873218863.db2.gz	XSKSEDKCFWJUFR-KURKYZTESA-N	1	0	368.481	1.232	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2nccs2)CC1	ZINC001003367020	873221979	/nfs/dbraw/zinc/22/19/79/873221979.db2.gz	ZQCHBFGBJDMIMH-OAGGEKHMSA-N	1	0	372.494	1.350	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CC[NH+](C)CC1	ZINC001003502960	873590180	/nfs/dbraw/zinc/59/01/80/873590180.db2.gz	HMJMYVYAWUOSPW-KURKYZTESA-N	1	0	370.497	1.878	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2	ZINC001003508303	873623071	/nfs/dbraw/zinc/62/30/71/873623071.db2.gz	VZJVCQOHTUGUJF-ZACQAIPSSA-N	1	0	368.481	1.632	20	30		FDEDRO
CC(C)[C@@H](C)NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C#CC1CC1)C2	ZINC001112346024	873662034	/nfs/dbraw/zinc/66/20/34/873662034.db2.gz	ZCAMXCDIGODLOX-MMOPVJDHSA-N	1	0	359.514	1.779	20	30		FDEDRO
C[C@@H]1CN(C(=O)CN(C)C(=O)C2CC2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001106205628	873703333	/nfs/dbraw/zinc/70/33/33/873703333.db2.gz	SXSSUVOUWKKONS-DNVCBOLYSA-N	1	0	368.481	1.611	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](N(C)c3cnc(C#N)cn3)C2)CC[N@@H+]1C	ZINC001061281069	873728968	/nfs/dbraw/zinc/72/89/68/873728968.db2.gz	NDNPFQCPEQKKJQ-YESZJQIVSA-N	1	0	356.474	1.506	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H]3CN(C(=O)[C@H](C4CC4)[NH+](C)C)C[C@]3(C)C2)C1	ZINC000993024164	873731976	/nfs/dbraw/zinc/73/19/76/873731976.db2.gz	KDAQVFUUWGANFK-XGHQBKJUSA-N	1	0	359.514	1.990	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc3c(c2)nnn3C)CC1	ZINC001003649402	873938280	/nfs/dbraw/zinc/93/82/80/873938280.db2.gz	JEBOFLWOOCTEAH-APWZRJJASA-N	1	0	369.469	1.640	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+]([C@@H](C)C(=O)N2CCCCC2)CC1	ZINC001003655618	873944417	/nfs/dbraw/zinc/94/44/17/873944417.db2.gz	JAVKMFPZPVSWQN-JQHSSLGASA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1conc1CC	ZINC001003676917	874013374	/nfs/dbraw/zinc/01/33/74/874013374.db2.gz	OTRJODPZQOCGBP-ZSGPHXLJSA-N	1	0	370.453	1.196	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCn2ccnn2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106240978	874083961	/nfs/dbraw/zinc/08/39/61/874083961.db2.gz	WKVMQLWCLKAOOD-UYAOXDASSA-N	1	0	365.481	1.794	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnn(-c3cccnc3)c2)C[C@H]1C	ZINC001106244830	874095002	/nfs/dbraw/zinc/09/50/02/874095002.db2.gz	UJUKHMZVJCOIIW-IAGOWNOFSA-N	1	0	367.453	1.215	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2conc2C(C)C)C[C@H]1C	ZINC001106243226	874096622	/nfs/dbraw/zinc/09/66/22/874096622.db2.gz	ZYHLIMDKZADVEG-RBSFLKMASA-N	1	0	362.474	1.786	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccn2CC=C)C[C@H]1C	ZINC001106255645	874169578	/nfs/dbraw/zinc/16/95/78/874169578.db2.gz	CCYJPOFCWCLKFM-IXDOHACOSA-N	1	0	358.486	1.663	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1C	ZINC001106257481	874181372	/nfs/dbraw/zinc/18/13/72/874181372.db2.gz	GTNWYJVRVAIXAM-IAGOWNOFSA-N	1	0	351.491	1.276	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2cnccc2C)C[C@H]1C	ZINC001106270184	874299429	/nfs/dbraw/zinc/29/94/29/874299429.db2.gz	XWNQXGQIIBAZSJ-SOLBZPMBSA-N	1	0	358.486	1.307	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2oc(C(F)F)cc2C)C[C@H]1C	ZINC001106275200	874327912	/nfs/dbraw/zinc/32/79/12/874327912.db2.gz	NYMBRZATDLUBQI-CHWSQXEVSA-N	1	0	367.396	1.573	20	30		FDEDRO
C[C@@H]1CC(N=Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)C[N@@H+]1C	ZINC000761811312	874519015	/nfs/dbraw/zinc/51/90/15/874519015.db2.gz	YWWVTUICGSCTIC-CQSZACIVSA-N	1	0	365.503	1.115	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@H]1C	ZINC001106316155	874759302	/nfs/dbraw/zinc/75/93/02/874759302.db2.gz	GOHAHLCGLHQZRH-BFYDXBDKSA-N	1	0	368.543	1.850	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(C(F)F)ncn2)C[C@H]1C	ZINC001106316481	874760454	/nfs/dbraw/zinc/76/04/54/874760454.db2.gz	XSUSFIKIQZHBGO-CHWSQXEVSA-N	1	0	352.385	1.362	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1	ZINC001106330954	874803741	/nfs/dbraw/zinc/80/37/41/874803741.db2.gz	JHLDVFUHPZXDAR-IAGOWNOFSA-N	1	0	362.470	1.558	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC2CC(F)(F)C2)C[C@H]1C	ZINC001106336427	874812869	/nfs/dbraw/zinc/81/28/69/874812869.db2.gz	NABSBWICIIMWHS-VNHYZAJKSA-N	1	0	355.429	1.244	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)ncn3C)C[C@H]1C	ZINC001106342891	874849403	/nfs/dbraw/zinc/84/94/03/874849403.db2.gz	HUMBCNPUYOAGPY-GDBMZVCRSA-N	1	0	369.469	1.173	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C(C)(C)C)n[nH]2)C[C@H]1C	ZINC001106363593	874902231	/nfs/dbraw/zinc/90/22/31/874902231.db2.gz	WGLHNYBFACFSBI-ZIAGYGMSSA-N	1	0	361.490	1.307	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccnc(OC)c2)C[C@H]1C	ZINC001106361122	874911652	/nfs/dbraw/zinc/91/16/52/874911652.db2.gz	LIHBEXNOOGKBJE-IJEWVQPXSA-N	1	0	360.458	1.079	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)o2)C[C@H]1C	ZINC001106372704	874950540	/nfs/dbraw/zinc/95/05/40/874950540.db2.gz	HFAOFTQDADOPAY-MGPQQGTHSA-N	1	0	369.487	1.579	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccnc2C2CC2)C[C@H]1C	ZINC001106376316	874968989	/nfs/dbraw/zinc/96/89/89/874968989.db2.gz	YFVDJTVXIURMDY-HLLBOEOZSA-N	1	0	368.481	1.395	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3ccccc3s2)C[C@H]1C	ZINC001106384781	875006515	/nfs/dbraw/zinc/00/65/15/875006515.db2.gz	SPEJCEZRTNIBLC-GDBMZVCRSA-N	1	0	369.490	1.948	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(=O)n(CCOC)n2)C[C@H]1C	ZINC001106396322	875070735	/nfs/dbraw/zinc/07/07/35/875070735.db2.gz	MADUGYDTJOXONW-HZPDHXFCSA-N	1	0	362.474	1.154	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(Cl)n(C)n2)C[C@H]1C	ZINC001106403621	875132586	/nfs/dbraw/zinc/13/25/86/875132586.db2.gz	HUBGOSANYGQUKL-FRRDWIJNSA-N	1	0	367.881	1.062	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)OCc2ccccc2)C[C@H]1C	ZINC001106409538	875172249	/nfs/dbraw/zinc/17/22/49/875172249.db2.gz	MILPUGQZMWJWKJ-ZIFCJYIRSA-N	1	0	371.481	1.025	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)Cc2cc(C)nn2C)C[C@H]1C	ZINC001106421097	875210611	/nfs/dbraw/zinc/21/06/11/875210611.db2.gz	WMOWIVKWIYSAGX-BXUZGUMPSA-N	1	0	369.307	1.864	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cncc(CC)c2)C[C@H]1C	ZINC001106431976	875285072	/nfs/dbraw/zinc/28/50/72/875285072.db2.gz	OPAYOAHRRXSNEO-RVKKMQEKSA-N	1	0	356.470	1.080	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(OCC)no2)C[C@H]1C	ZINC001106436274	875287731	/nfs/dbraw/zinc/28/77/31/875287731.db2.gz	FRGYNQHWQGXHHT-MGPQQGTHSA-N	1	0	364.446	1.062	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc3c2O[C@H](C)C3)C[C@H]1C	ZINC001106444188	875324809	/nfs/dbraw/zinc/32/48/09/875324809.db2.gz	GDOZSDMFPIFHBJ-JFIYKMOQSA-N	1	0	356.466	1.958	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cn2ncc3cccnc32)C[C@H]1C	ZINC001106449245	875372369	/nfs/dbraw/zinc/37/23/69/875372369.db2.gz	XVGWQRPDGUCJPJ-NVXWUHKLSA-N	1	0	357.458	1.318	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@]2(C)C1	ZINC000993176506	875454316	/nfs/dbraw/zinc/45/43/16/875454316.db2.gz	VERDMJLRCVTMFL-OHNRDTAOSA-N	1	0	351.410	1.414	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C3(CCF)CC3)C[C@H]2C)C1=O	ZINC001106471034	875544798	/nfs/dbraw/zinc/54/47/98/875544798.db2.gz	PGNUCTMWRXRXNU-OAGGEKHMSA-N	1	0	351.466	1.597	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)CC2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106477775	875584598	/nfs/dbraw/zinc/58/45/98/875584598.db2.gz	RHICFNKGNGGMEM-YZGWKJHDSA-N	1	0	367.493	1.639	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]Cc2csnn2)[C@H](C)C1	ZINC001106486038	875639596	/nfs/dbraw/zinc/63/95/96/875639596.db2.gz	JRHVTORTIUFIGL-CKEIUWERSA-N	1	0	352.504	1.951	20	30		FDEDRO
CCO[C@@H](C(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1)C1CCOCC1	ZINC001106486346	875641170	/nfs/dbraw/zinc/64/11/70/875641170.db2.gz	PHCQKTWPTOAKCN-BHIYHBOVSA-N	1	0	366.502	1.152	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2cccc(C)c2)C[C@H]1C	ZINC001106491874	875686436	/nfs/dbraw/zinc/68/64/36/875686436.db2.gz	VYFMKNKLALKPFH-QWFCFKBJSA-N	1	0	369.509	1.750	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCNC(=O)NC(C)C)[C@H](C)C1	ZINC001106517393	875810030	/nfs/dbraw/zinc/81/00/30/875810030.db2.gz	CHVUURLFLHHDPB-HZPDHXFCSA-N	1	0	352.523	1.980	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]CCc2nnn(C(C)(C)C)n2)[C@H](C)C1	ZINC001106527288	875845934	/nfs/dbraw/zinc/84/59/34/875845934.db2.gz	OHPHVRHMGJOFLR-HUUCEWRRSA-N	1	0	362.522	1.867	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC2CC2)[C@H](C)C1	ZINC001106563717	875963131	/nfs/dbraw/zinc/96/31/31/875963131.db2.gz	JCIICBPTFONEER-RBSFLKMASA-N	1	0	364.490	1.261	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@@]3(C)C2)cc1	ZINC000993200145	875991653	/nfs/dbraw/zinc/99/16/53/875991653.db2.gz	CAQYEVXYFCXVQT-XQBPLPMBSA-N	1	0	365.477	1.540	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)c1ccncc1	ZINC001106581952	876029151	/nfs/dbraw/zinc/02/91/51/876029151.db2.gz	RISHSUSVXGCLDM-SZVBFZGTSA-N	1	0	371.485	1.145	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3nnn(C)c3C2)C[C@H]1C	ZINC001106584819	876037072	/nfs/dbraw/zinc/03/70/72/876037072.db2.gz	JSGAMOKKRDGKCR-KWCYVHTRSA-N	1	0	351.882	1.357	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCc2ccccc2OCC[NH+](C)C)C[C@@H](C)N1CC#N	ZINC000915360229	876131370	/nfs/dbraw/zinc/13/13/70/876131370.db2.gz	AUDBMTLBYUFPSG-IAGOWNOFSA-N	1	0	373.501	1.755	20	30		FDEDRO
C#CCOc1ccc(Br)cc1CNC[C@@]1(O)CC[N@@H+](C)C1	ZINC000762569047	876147967	/nfs/dbraw/zinc/14/79/67/876147967.db2.gz	QDHZYRCJODNWOV-INIZCTEOSA-N	1	0	353.260	1.617	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCOCC2)[C@H](C)C1	ZINC001106607015	876171837	/nfs/dbraw/zinc/17/18/37/876171837.db2.gz	RIBCDODIEHRYKR-HZPDHXFCSA-N	1	0	351.491	1.322	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@@H]2CCOC2)[C@H](C)C1	ZINC001106612819	876174765	/nfs/dbraw/zinc/17/47/65/876174765.db2.gz	OUOUUQGIXDCQBT-IXDOHACOSA-N	1	0	351.491	1.180	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+]CC2CCS(=O)(=O)CC2)[C@H](C)C1	ZINC001106610111	876184250	/nfs/dbraw/zinc/18/42/50/876184250.db2.gz	YNRVSSKWBPFLEE-NVXWUHKLSA-N	1	0	356.532	1.852	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H](C[NH2+]C[C@@H](O)COCCOC)[C@H](C)C2)CC1	ZINC001106633204	876283779	/nfs/dbraw/zinc/28/37/79/876283779.db2.gz	CZYVCLVMTZCHOT-KZNAEPCWSA-N	1	0	368.518	1.441	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(C)CC(=C)C2)C[C@H]1C	ZINC001106647013	876380811	/nfs/dbraw/zinc/38/08/11/876380811.db2.gz	FOLINXLZXMSJRR-HUUCEWRRSA-N	1	0	362.474	1.039	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@]2(C)C1	ZINC000993219671	876412864	/nfs/dbraw/zinc/41/28/64/876412864.db2.gz	CZWXVGHMNDOEBX-LZJOCLMNSA-N	1	0	359.514	1.847	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C[C@H]1C	ZINC001106661132	876461859	/nfs/dbraw/zinc/46/18/59/876461859.db2.gz	KIYGGHGOWXDZDO-TVFCKZIOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2c3n(c(=O)n2C)CCCC3)C[C@H]1C	ZINC001106667167	876482970	/nfs/dbraw/zinc/48/29/70/876482970.db2.gz	LNQKIGWZMXBREC-HZPDHXFCSA-N	1	0	360.502	1.787	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC(F)(F)C(F)F)C[C@H]1C	ZINC001106670777	876492214	/nfs/dbraw/zinc/49/22/14/876492214.db2.gz	OCJJZXSRWAHENZ-GRYCIOLGSA-N	1	0	365.371	1.099	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2cncs2)C[C@H]1C	ZINC001106669768	876503480	/nfs/dbraw/zinc/50/34/80/876503480.db2.gz	FKXQFMZOCBDUGR-QLFBSQMISA-N	1	0	364.515	1.451	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(CC)cn2)C[C@H]1C	ZINC001106682868	876554195	/nfs/dbraw/zinc/55/41/95/876554195.db2.gz	CIXFHQUAMXYASA-SOLBZPMBSA-N	1	0	370.497	1.009	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@H]3CN(C(=O)C#CC4CC4)C[C@@]3(C)C2)C1	ZINC000993282178	876798933	/nfs/dbraw/zinc/79/89/33/876798933.db2.gz	GVQQIMKSSBDKEM-JQVVWYNYSA-N	1	0	371.525	1.829	20	30		FDEDRO
C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000670206983	876910444	/nfs/dbraw/zinc/91/04/44/876910444.db2.gz	YTTBVRARHJKXLO-INIZCTEOSA-N	1	0	371.489	1.413	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC23CCC3)C[C@H]1C	ZINC001106707781	876913622	/nfs/dbraw/zinc/91/36/22/876913622.db2.gz	BHVBVFJBKPKITM-BRWVUGGUSA-N	1	0	360.502	1.623	20	30		FDEDRO
CC(C)[C@H]1C[N@H+](C)CCN1CN1CC(=O)N(Cc2ccccc2C#N)C1=O	ZINC000153628316	876974513	/nfs/dbraw/zinc/97/45/13/876974513.db2.gz	RHOOHFKABKBKFK-GOSISDBHSA-N	1	0	369.469	1.552	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(N2CCNC2=O)CC1	ZINC000193690932	877150554	/nfs/dbraw/zinc/15/05/54/877150554.db2.gz	KLHZPGDBQGOPIR-GOSISDBHSA-N	1	0	359.470	1.644	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(Br)co2)C[C@H]1C	ZINC001106731501	877237523	/nfs/dbraw/zinc/23/75/23/877237523.db2.gz	UWKARCZWUMDARX-CHWSQXEVSA-N	1	0	369.259	1.990	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(=O)c3ccccc23)C[C@H]1C	ZINC001106732964	877263235	/nfs/dbraw/zinc/26/32/35/877263235.db2.gz	CMQVCMHLUHVPCR-HZPDHXFCSA-N	1	0	367.449	1.888	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2ncccn2)[C@H](C)C1	ZINC001106732987	877264342	/nfs/dbraw/zinc/26/43/42/877264342.db2.gz	DEWHVATWRPQWFP-DJIMGWMZSA-N	1	0	359.474	1.132	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4nncn4CC3)[C@H]2C1	ZINC001083147739	912224743	/nfs/dbraw/zinc/22/47/43/912224743.db2.gz	BKKHSCJIDAPOER-IXDOHACOSA-N	1	0	359.474	1.108	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106741891	877401773	/nfs/dbraw/zinc/40/17/73/877401773.db2.gz	RJVJIGGEPMRCJQ-NVXWUHKLSA-N	1	0	359.445	1.340	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@]2(C)C1	ZINC000993345036	877435129	/nfs/dbraw/zinc/43/51/29/877435129.db2.gz	GKJOVWOLPLTURZ-FYINFDKHSA-N	1	0	368.481	1.828	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]CCc3cnn(C)c3)[C@H](C)C2)nn1	ZINC001106749717	877505545	/nfs/dbraw/zinc/50/55/45/877505545.db2.gz	FZNCZAJWIJBVPG-NVXWUHKLSA-N	1	0	371.489	1.128	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2nc(CC)oc2C)C[C@H]1C	ZINC001106753611	877558704	/nfs/dbraw/zinc/55/87/04/877558704.db2.gz	HOUSQBPRFLCJEY-UMVBOHGHSA-N	1	0	362.474	1.534	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4ccc(F)cc4O3)[C@H]2C1	ZINC001083143450	912256794	/nfs/dbraw/zinc/25/67/94/912256794.db2.gz	IFPQUCVDXCOOIJ-JENIJYKNSA-N	1	0	358.413	1.454	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccncn2)C[C@H]1C	ZINC001106781817	877808617	/nfs/dbraw/zinc/80/86/17/877808617.db2.gz	IZYKTQRBDPCCTG-HZPDHXFCSA-N	1	0	359.474	1.199	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2NC(=O)c3ccccc32)C[C@H]1C	ZINC001106788476	877924853	/nfs/dbraw/zinc/92/48/53/877924853.db2.gz	XQQYBHWJQDHIOK-GPMSIDNRSA-N	1	0	371.481	1.748	20	30		FDEDRO
C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC)[C@@H](C)C1	ZINC000670230252	877938042	/nfs/dbraw/zinc/93/80/42/877938042.db2.gz	YIHNSZVGCOMFFI-GJZGRUSLSA-N	1	0	367.519	1.287	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCC2)C[C@H]1C	ZINC001106818644	878268099	/nfs/dbraw/zinc/26/80/99/878268099.db2.gz	VIDDRJURTZNAEJ-OWCLPIDISA-N	1	0	356.532	1.993	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C(C)(C)CCOC)C[C@H]2C)C1=O	ZINC001106824755	878434876	/nfs/dbraw/zinc/43/48/76/878434876.db2.gz	GHOFTMMDBNRIAH-ZACQAIPSSA-N	1	0	365.518	1.520	20	30		FDEDRO
CN1CCOC[C@@]1(CO)C[NH2+]Cc1cc(C#N)ccc1Br	ZINC000922534268	878473069	/nfs/dbraw/zinc/47/30/69/878473069.db2.gz	JNNWBMSCYSTZIB-HNNXBMFYSA-N	1	0	354.248	1.103	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2c(C)cc(C)nc2OC)CC1	ZINC000671966807	912477385	/nfs/dbraw/zinc/47/73/85/912477385.db2.gz	JKXRQAQNYCCEMO-UHFFFAOYSA-N	1	0	360.458	1.090	20	30		FDEDRO
C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1	ZINC001004496450	879717100	/nfs/dbraw/zinc/71/71/00/879717100.db2.gz	AKDXBPHKKKPXHY-VNTMZGSJSA-N	1	0	360.498	1.764	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3sccc3[nH]2)C[C@H]1C	ZINC001106833914	879753645	/nfs/dbraw/zinc/75/36/45/879753645.db2.gz	XHSSQMCEVLBWLQ-CHWSQXEVSA-N	1	0	358.467	1.277	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)c2occc2C[NH+](C)C)C1	ZINC001004533953	879806141	/nfs/dbraw/zinc/80/61/41/879806141.db2.gz	OJUWSRARAVJQJI-CVEARBPZSA-N	1	0	361.442	1.121	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CCCc3ccc(C)cc3)C[C@@H]2O)nn1	ZINC001083843557	879961691	/nfs/dbraw/zinc/96/16/91/879961691.db2.gz	NHGOCJDRGWCYSL-MJGOQNOKSA-N	1	0	369.469	1.180	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC000993912648	880126626	/nfs/dbraw/zinc/12/66/26/880126626.db2.gz	DUFSEDAWGHBHIZ-IIAWOOMASA-N	1	0	357.458	1.052	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc3c([nH]2)CCCC3)C[C@H]1C	ZINC001106843372	880829197	/nfs/dbraw/zinc/82/91/97/880829197.db2.gz	BJYNAWGWFWYKJD-HLLBOEOZSA-N	1	0	370.497	1.329	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2(C(=O)N(C)C)CC2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001106860758	881174530	/nfs/dbraw/zinc/17/45/30/881174530.db2.gz	PEKYMVOPWMBIDS-CRAIPNDOSA-N	1	0	368.481	1.611	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000916049797	881315651	/nfs/dbraw/zinc/31/56/51/881315651.db2.gz	IGXOENQHKJVDNA-GOEBONIOSA-N	1	0	362.449	1.322	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1	ZINC000999399437	912685947	/nfs/dbraw/zinc/68/59/47/912685947.db2.gz	VJTDVDFLAIWUQD-OWQGQXMQSA-N	1	0	361.417	1.582	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1	ZINC000265713137	912705594	/nfs/dbraw/zinc/70/55/94/912705594.db2.gz	CWZYZRRPNZJPDT-RTBURBONSA-N	1	0	371.485	1.127	20	30		FDEDRO
CC(C)(C)n1nnnc1CO[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1	ZINC000766063566	883494336	/nfs/dbraw/zinc/49/43/36/883494336.db2.gz	GPBHQJGNOXBWRD-UHFFFAOYSA-N	1	0	373.461	1.226	20	30		FDEDRO
C=C(Br)C[NH2+]C1CC(N(C)C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1	ZINC000999409659	912722242	/nfs/dbraw/zinc/72/22/42/912722242.db2.gz	RHLWHAJXUGASSD-TUUUFIMRSA-N	1	0	358.280	1.198	20	30		FDEDRO
CCN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC001033959705	883597149	/nfs/dbraw/zinc/59/71/49/883597149.db2.gz	HGZPLUNXYYKNPR-QYZOEREBSA-N	1	0	368.481	1.883	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001128811704	883698406	/nfs/dbraw/zinc/69/84/06/883698406.db2.gz	AOTGBCZPRWSIMV-JQHSSLGASA-N	1	0	355.442	1.583	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H](CC)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001128811938	883700974	/nfs/dbraw/zinc/70/09/74/883700974.db2.gz	JIWKONVZSJEZDC-QYZOEREBSA-N	1	0	369.469	1.974	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1CN(CCn2nc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001128816183	883730725	/nfs/dbraw/zinc/73/07/25/883730725.db2.gz	CHBWAUDFSGOVDD-SJORKVTESA-N	1	0	357.462	1.099	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2CC)C[C@@H]1n1ccnn1	ZINC001128824426	883742983	/nfs/dbraw/zinc/74/29/83/883742983.db2.gz	CYQVPGTXOUTAIY-MOPGFXCFSA-N	1	0	369.469	1.585	20	30		FDEDRO
C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)CC1	ZINC001005519419	883901023	/nfs/dbraw/zinc/90/10/23/883901023.db2.gz	UJQRQGLEUSBOPO-MOPGFXCFSA-N	1	0	358.486	1.834	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCCC(=O)N2Cc3ccccc3C2)CC1	ZINC000917990418	883965297	/nfs/dbraw/zinc/96/52/97/883965297.db2.gz	HGIJGRMSPZTNGI-UHFFFAOYSA-N	1	0	368.481	1.706	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1	ZINC001106890920	884175567	/nfs/dbraw/zinc/17/55/67/884175567.db2.gz	NOAQRNHUUZUPIR-IAGOWNOFSA-N	1	0	355.438	1.041	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCN1c1ncccn1)C2	ZINC001112413515	884304907	/nfs/dbraw/zinc/30/49/07/884304907.db2.gz	RPANLYRXJVORBT-ZWOKBUDYSA-N	1	0	355.486	1.850	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@@H](CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)n1	ZINC001061757666	884474248	/nfs/dbraw/zinc/47/42/48/884474248.db2.gz	MZFZFQBNIKVWHY-BHYGNILZSA-N	1	0	370.501	1.583	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccncc2C)[C@@H](n2ccnn2)C1	ZINC001128966595	884477432	/nfs/dbraw/zinc/47/74/32/884477432.db2.gz	DMVBQQRMLRSAFC-JQHSSLGASA-N	1	0	354.458	1.992	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001128976051	884543093	/nfs/dbraw/zinc/54/30/93/884543093.db2.gz	HBEQNDXEYCKGIW-CEXWTWQISA-N	1	0	367.453	1.013	20	30		FDEDRO
C=CCNC(=O)c1ccccc1NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1	ZINC000262751645	884560419	/nfs/dbraw/zinc/56/04/19/884560419.db2.gz	KAOLEDJRLKJMAW-CQSZACIVSA-N	1	0	353.426	1.976	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@@H]1n1ccnn1	ZINC001128979838	884563467	/nfs/dbraw/zinc/56/34/67/884563467.db2.gz	BVXOEOIRKTUKJG-JQHSSLGASA-N	1	0	357.458	1.158	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@H]2CC[C@H](NC(=O)[C@H]3OCC[C@H]3CC)CC2)C1=O	ZINC001034667189	884641020	/nfs/dbraw/zinc/64/10/20/884641020.db2.gz	MVGBYXHRWURJCS-DZVNLGKHSA-N	1	0	363.502	1.605	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1nnc3ccccc3c1O)C2	ZINC001112538263	884684575	/nfs/dbraw/zinc/68/45/75/884684575.db2.gz	YEAMYEVBLISOOK-XOBRGWDASA-N	1	0	350.422	1.801	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)CC2(O)CCC2)[C@@H](n2ccnn2)C1	ZINC001128989585	884830706	/nfs/dbraw/zinc/83/07/06/884830706.db2.gz	PMPLFFOPLCYWNB-SJORKVTESA-N	1	0	363.506	1.895	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cn(C3CCC3)nn2)[C@@H](n2ccnn2)C1	ZINC001128993683	884893647	/nfs/dbraw/zinc/89/36/47/884893647.db2.gz	LXIVLUMPZBKLEB-WBVHZDCISA-N	1	0	370.461	1.216	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1	ZINC001034732769	884923472	/nfs/dbraw/zinc/92/34/72/884923472.db2.gz	JJRDVXPZCQNTPZ-XLAORIBOSA-N	1	0	370.453	1.108	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1n1ccnn1	ZINC001129014383	885121478	/nfs/dbraw/zinc/12/14/78/885121478.db2.gz	HXALSPATRVHELE-MSOLQXFVSA-N	1	0	357.458	1.038	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](CC)OC)C[C@@H]1n1ccnn1	ZINC001129014786	885131434	/nfs/dbraw/zinc/13/14/34/885131434.db2.gz	RRCPFNDTXRTBPH-ZNMIVQPWSA-N	1	0	369.897	1.823	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCC[C@@](O)(C[NH+](C)C)C1	ZINC000918972698	885132181	/nfs/dbraw/zinc/13/21/81/885132181.db2.gz	RSMAGUBKJAVUJU-GOSISDBHSA-N	1	0	365.499	1.393	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000498538443	885178140	/nfs/dbraw/zinc/17/81/40/885178140.db2.gz	DKELIWNWDIBTPQ-MSOLQXFVSA-N	1	0	369.469	1.300	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@@H]1O	ZINC001083967626	912909194	/nfs/dbraw/zinc/90/91/94/912909194.db2.gz	QJFOPQYRTNPEPQ-SJORKVTESA-N	1	0	357.454	1.305	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(C[NH2+]Cc2cnn(C)c2)cc1	ZINC001034829731	885239985	/nfs/dbraw/zinc/23/99/85/885239985.db2.gz	UMTDFEHCBFBOLC-MOPGFXCFSA-N	1	0	354.454	1.917	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCc3cccc(F)c3)C[C@@H]2O)cn1	ZINC001083970090	912919538	/nfs/dbraw/zinc/91/95/38/912919538.db2.gz	FIPHYGKOWIJRGK-UXHICEINSA-N	1	0	367.424	1.610	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2ccn(C)n2)[C@@H](n2ccnn2)C1	ZINC001129029332	885335223	/nfs/dbraw/zinc/33/52/23/885335223.db2.gz	BUDRVCDUYQQIGO-NXHRZFHOSA-N	1	0	371.489	1.341	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C3CC3)C[C@@H]2O)cn1	ZINC001083970873	912923912	/nfs/dbraw/zinc/92/39/12/912923912.db2.gz	LPLBRSMUMHWHHM-RTWAWAEBSA-N	1	0	361.445	1.915	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2C#N)C1	ZINC001034938541	885379343	/nfs/dbraw/zinc/37/93/43/885379343.db2.gz	ASZLGLDDXRCTCJ-ZTFGCOKTSA-N	1	0	354.454	1.554	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001034962457	885426462	/nfs/dbraw/zinc/42/64/62/885426462.db2.gz	RKVZDLUKJVEFES-XCRHUMRWSA-N	1	0	361.417	1.582	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)C2(F)CCOCC2)[C@@H](n2ccnn2)C1	ZINC001129048988	885537429	/nfs/dbraw/zinc/53/74/29/885537429.db2.gz	MYHRDJIYTGOGPA-CABCVRRESA-N	1	0	351.426	1.105	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@H](NC(=O)C#CC3CC3)CC2)CC[N@@H+]1C	ZINC001060730430	885570976	/nfs/dbraw/zinc/57/09/76/885570976.db2.gz	LKIMHGZLMQPVIR-CADBVGFASA-N	1	0	359.514	1.921	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)C/C=C/Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129054338	885585636	/nfs/dbraw/zinc/58/56/36/885585636.db2.gz	CTDAQCMZBLHEKT-CLJKYYQGSA-N	1	0	363.465	1.832	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)Cc2ccc(C)cc2)[C@@H](n2ccnn2)C1	ZINC001129093677	885723979	/nfs/dbraw/zinc/72/39/79/885723979.db2.gz	MYFNBCXIAZCWKO-MOPGFXCFSA-N	1	0	369.469	1.373	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)CCc2ccc(F)cc2)[C@@H](n2ccnn2)C1	ZINC001129098686	885731822	/nfs/dbraw/zinc/73/18/22/885731822.db2.gz	RAWZTIGLYCLGID-MSOLQXFVSA-N	1	0	357.433	1.968	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N[C@@H](C)CCC)[C@H](C)C2)nc1	ZINC001106894228	885739222	/nfs/dbraw/zinc/73/92/22/885739222.db2.gz	GNJIOZFPTPFMBY-SOLBZPMBSA-N	1	0	370.497	1.665	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCn3nc(C)nc3C)[C@H](C)C2)cn1	ZINC001106894420	885751506	/nfs/dbraw/zinc/75/15/06/885751506.db2.gz	KSLFMELGQROJBT-RDTXWAMCSA-N	1	0	366.469	1.269	20	30		FDEDRO
CO[C@@H]1C[N@H+](C[C@@H](O)Cc2ccc(F)cc2)C[C@H]1NC(=O)C#CC(C)C	ZINC001212240958	885759971	/nfs/dbraw/zinc/75/99/71/885759971.db2.gz	GPHHJKPJLMPWPD-IPMKNSEASA-N	1	0	362.445	1.204	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cnc(Cl)n2C)[C@@H](n2ccnn2)C1	ZINC001129106765	885761315	/nfs/dbraw/zinc/76/13/15/885761315.db2.gz	QCYQXJJRKFPSCV-OCCSQVGLSA-N	1	0	363.853	1.287	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](CCCC)C(N)=O)[C@H](C)C2)cn1	ZINC001106894639	885762802	/nfs/dbraw/zinc/76/28/02/885762802.db2.gz	PYWBZMHSMKHDBI-KYJSFNMBSA-N	1	0	356.470	1.405	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCCN3CCCC3=O)[C@H](C)C2)nc1	ZINC001106894757	885793367	/nfs/dbraw/zinc/79/33/67/885793367.db2.gz	VBBGGLKSSRDDDQ-SJLPKXTDSA-N	1	0	368.481	1.373	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001060733284	885828875	/nfs/dbraw/zinc/82/88/75/885828875.db2.gz	JXUNNNONXPIGKS-DUQPFJRNSA-N	1	0	363.502	1.156	20	30		FDEDRO
Cc1nsc(NCCOCCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1C#N	ZINC001127505866	885915586	/nfs/dbraw/zinc/91/55/86/885915586.db2.gz	ZRBBWFXILCFJGN-ZIAGYGMSSA-N	1	0	365.503	1.550	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@H]2CN(Cc3ccc(C#N)s3)CCO2)CC[N@@H+]1C	ZINC001035375993	885939743	/nfs/dbraw/zinc/93/97/43/885939743.db2.gz	NEBBLXTYDGVJFB-JKIFEVAISA-N	1	0	362.499	1.277	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CCOc2ccccc2)C[C@@H]1n1ccnn1	ZINC001129180593	886024253	/nfs/dbraw/zinc/02/42/53/886024253.db2.gz	SRGKGAAXMFFCPU-MSOLQXFVSA-N	1	0	369.469	1.911	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1n1ccnn1	ZINC001129189269	886119641	/nfs/dbraw/zinc/11/96/41/886119641.db2.gz	LNFJNFNSUKZPPW-MSOLQXFVSA-N	1	0	359.474	1.240	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNS(=O)(=O)CC(C)(C)C#N)cc2)CC1	ZINC000919741292	886121846	/nfs/dbraw/zinc/12/18/46/886121846.db2.gz	XFZXPXQKXLHIQH-UHFFFAOYSA-N	1	0	350.488	1.408	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)C2(C(F)F)CCCC2)[C@@H](n2ccnn2)C1	ZINC001129199031	886261868	/nfs/dbraw/zinc/26/18/68/886261868.db2.gz	BLCTVTUWWPRNET-KGLIPLIRSA-N	1	0	351.401	1.468	20	30		FDEDRO
C#CCSCCNC(=O)N[C@@H]1C[C@@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O	ZINC000919875134	886330309	/nfs/dbraw/zinc/33/03/09/886330309.db2.gz	PFSKXPMEVXRTKX-KONPQCLYSA-N	1	0	353.532	1.522	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(Cc3cccc(C#N)c3)C[C@H]2O)C1	ZINC001077553258	886379718	/nfs/dbraw/zinc/37/97/18/886379718.db2.gz	IGOAWNFDPPSYOL-VAMGGRTRSA-N	1	0	370.497	1.342	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(Cc3ccccc3C#N)C[C@H]2O)C1	ZINC001077553267	886382727	/nfs/dbraw/zinc/38/27/27/886382727.db2.gz	IOFFSAJXNUONEU-VAMGGRTRSA-N	1	0	370.497	1.342	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC1(CCO)CC[NH+](C)CC1	ZINC000499116427	886385133	/nfs/dbraw/zinc/38/51/33/886385133.db2.gz	JWWZZMGWQNOBDT-UHFFFAOYSA-N	1	0	360.458	1.171	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1n1ccnn1	ZINC001129238918	886748905	/nfs/dbraw/zinc/74/89/05/886748905.db2.gz	LFDAGTLNVOBKDG-ZIFCJYIRSA-N	1	0	371.489	1.198	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ccccc1C#N)C2	ZINC000920282272	886819356	/nfs/dbraw/zinc/81/93/56/886819356.db2.gz	MBKMUBAZDNIFLU-LMSBXDPUSA-N	1	0	363.483	1.316	20	30		FDEDRO
C=CCN1c2ccccc2C(=NNC(=S)NC2CC[NH+](C)CC2)C1=O	ZINC000920307487	886853752	/nfs/dbraw/zinc/85/37/52/886853752.db2.gz	NSXGDQWLFMNMQD-UHFFFAOYSA-N	1	0	357.483	1.482	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC(CN(C)c3ccc(C#N)nn3)CC2)CC[N@@H+]1C	ZINC001062234898	886992498	/nfs/dbraw/zinc/99/24/98/886992498.db2.gz	UCXGOWPCKMYROJ-ZWKOTPCHSA-N	1	0	370.501	1.753	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3nccn3C)C2)CC1	ZINC000373114325	887109122	/nfs/dbraw/zinc/10/91/22/887109122.db2.gz	YMHZGNAZDGPTKP-MSOLQXFVSA-N	1	0	372.517	1.292	20	30		FDEDRO
C[NH+]1CCC(n2ccc(NC(=O)C(=O)Nc3ccc(F)c(C#N)c3)n2)CC1	ZINC000565083919	887600693	/nfs/dbraw/zinc/60/06/93/887600693.db2.gz	YMSAIEBSJMSKMW-UHFFFAOYSA-N	1	0	370.388	1.738	20	30		FDEDRO
CC(C)C[C@H](Nc1ccc(C(F)(F)F)c(C#N)n1)C(=O)NCC[NH+](C)C	ZINC000409734174	887792367	/nfs/dbraw/zinc/79/23/67/887792367.db2.gz	UXSYUXBGIUDAAC-ZDUSSCGKSA-N	1	0	371.407	2.476	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)CC1	ZINC000921398902	887881134	/nfs/dbraw/zinc/88/11/34/887881134.db2.gz	YFLOMIVWNZALRD-HNNXBMFYSA-N	1	0	362.424	1.940	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1	ZINC001062667104	887925969	/nfs/dbraw/zinc/92/59/69/887925969.db2.gz	RBCNZDGMEUNCAJ-OWCLPIDISA-N	1	0	351.491	1.463	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H]2Cc3cccc(O)c3C2)CC1	ZINC000429318826	887998506	/nfs/dbraw/zinc/99/85/06/887998506.db2.gz	PKOBLYSOVDCKCB-SJLPKXTDSA-N	1	0	356.470	1.141	20	30		FDEDRO
C=C[C@@H](C)ONC(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000923087618	888012319	/nfs/dbraw/zinc/01/23/19/888012319.db2.gz	ZDFTYIRCCROHCH-CYBMUJFWSA-N	1	0	356.467	1.781	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@H+]2CC[C@@H](C)C2)c1	ZINC001005976042	888304893	/nfs/dbraw/zinc/30/48/93/888304893.db2.gz	YFGQOSJAPZWDAG-AXUOBQJMSA-N	1	0	366.465	1.266	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@H]1OC	ZINC001212267758	888444555	/nfs/dbraw/zinc/44/45/55/888444555.db2.gz	ARZSRGWPZOUYSG-RCCFBDPRSA-N	1	0	356.507	1.726	20	30		FDEDRO
C=CCN1CC[C@@H]([NH+]2CCC(N(C)C(=O)[C@@H]3CCO[C@H]3C=C)CC2)C1=O	ZINC001006021202	888758205	/nfs/dbraw/zinc/75/82/05/888758205.db2.gz	BUBDWYKPJOOEJS-KURKYZTESA-N	1	0	361.486	1.287	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000938606280	888944533	/nfs/dbraw/zinc/94/45/33/888944533.db2.gz	ROGJUVQCEIHCNW-LSTHTHJFSA-N	1	0	367.493	1.610	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)CN2CC[NH2+]C[C@@H]2C(F)F)c(OC)c1	ZINC000923351701	888986253	/nfs/dbraw/zinc/98/62/53/888986253.db2.gz	AHZGWQNDZIIKAV-LSDHHAIUSA-N	1	0	356.413	1.702	20	30		FDEDRO
C#CCN(C(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C)C1CC[NH+](C)CC1	ZINC000923352406	888989011	/nfs/dbraw/zinc/98/90/11/888989011.db2.gz	QCPZWWUPGQFPSD-HNNXBMFYSA-N	1	0	366.506	1.981	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)CN2CCCO[C@@H](C[NH3+])C2)c(OC)c1	ZINC000923377640	889048963	/nfs/dbraw/zinc/04/89/63/889048963.db2.gz	ADSHYWNRYLVXSN-SJORKVTESA-N	1	0	350.459	1.213	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)C[C@@H](OCC)C2=CCCC2)[C@H](OC)C1	ZINC001212282047	889380151	/nfs/dbraw/zinc/38/01/51/889380151.db2.gz	IQHFEBCSCTZLTQ-GUDVDZBRSA-N	1	0	366.502	1.910	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000938992104	889771839	/nfs/dbraw/zinc/77/18/39/889771839.db2.gz	CVTOPUAJUCHIRL-AYOQOUSVSA-N	1	0	353.466	1.681	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)C1	ZINC000923556442	889812688	/nfs/dbraw/zinc/81/26/88/889812688.db2.gz	XCJMLQYTYGCDSN-ZCNNSNEGSA-N	1	0	371.529	1.448	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC1CCCCC1	ZINC001127612711	889901464	/nfs/dbraw/zinc/90/14/64/889901464.db2.gz	AUCWUGYKUWDXHG-UAGQMJEPSA-N	1	0	351.491	1.511	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2[nH]cnc2C(C)(C)C)[C@H](OC)C1	ZINC001212297972	889953196	/nfs/dbraw/zinc/95/31/96/889953196.db2.gz	QTIBUZZWLLTCQF-ZIAGYGMSSA-N	1	0	350.463	1.339	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2Cc3ccccc3O2)[C@H](OC)C1	ZINC001212309261	890029527	/nfs/dbraw/zinc/02/95/27/890029527.db2.gz	QSPGMAATEUDOAG-YQVWRLOYSA-N	1	0	360.454	1.398	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1CN(CC(=O)N[C@@H](C)CCC)C[C@H]1OC	ZINC001212321256	890116289	/nfs/dbraw/zinc/11/62/89/890116289.db2.gz	YXFMVTSPXTZKLO-CGTJXYLNSA-N	1	0	365.518	1.875	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CCC1	ZINC001063046134	890146798	/nfs/dbraw/zinc/14/67/98/890146798.db2.gz	HVNNQZYPYSUXLX-IKGGRYGDSA-N	1	0	363.502	1.605	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@H](N(CC)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001063147062	890245030	/nfs/dbraw/zinc/24/50/30/890245030.db2.gz	YVCHNURIZOUCHZ-HYVNUMGLSA-N	1	0	370.501	1.678	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCC1	ZINC001063152557	890256153	/nfs/dbraw/zinc/25/61/53/890256153.db2.gz	FXWBGKQOVXXHFT-ZACQAIPSSA-N	1	0	361.486	1.074	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2COc3ccccc3O2)[C@H](OC)C1	ZINC001212334684	890264299	/nfs/dbraw/zinc/26/42/99/890264299.db2.gz	DIODAMIKXKUBCC-FRQCXROJSA-N	1	0	360.454	1.998	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)C1	ZINC000939244551	890272167	/nfs/dbraw/zinc/27/21/67/890272167.db2.gz	AIMLGYDVRODOEL-RVKKMQEKSA-N	1	0	371.485	1.585	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1CN([C@@H]2CCN(C(C)C)C2=O)C[C@H]1OC	ZINC001212340249	890436578	/nfs/dbraw/zinc/43/65/78/890436578.db2.gz	IDAHRRAZJAORGI-BZUAXINKSA-N	1	0	351.491	1.413	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1OC	ZINC001212341200	890461777	/nfs/dbraw/zinc/46/17/77/890461777.db2.gz	WDLSBVXQBZBONX-BRWVUGGUSA-N	1	0	354.491	1.600	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](Nc3nccnc3C#N)CC2)CC[N@@H+]1C	ZINC001063408565	890501660	/nfs/dbraw/zinc/50/16/60/890501660.db2.gz	DHHVAQRNSHELQC-QBYUYEEZSA-N	1	0	356.474	1.918	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCc2ccc(CNc3nccnc3C#N)cc2)CC[N@@H+]1C	ZINC001063424562	890534586	/nfs/dbraw/zinc/53/45/86/890534586.db2.gz	HUWMJKLPYLYNRC-RHSMWYFYSA-N	1	0	364.453	1.917	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)c2ccc3c[nH+]cn3c2C)C1	ZINC000995007577	891235381	/nfs/dbraw/zinc/23/53/81/891235381.db2.gz	FCYAWUXTUXTAQG-ROUUACIJSA-N	1	0	368.437	1.565	20	30		FDEDRO
C=CCN1CC[C@H]([NH+]2CCC(CNC(=O)[C@@H]3C[C@H]3c3ccco3)CC2)C1=O	ZINC001001867998	891525075	/nfs/dbraw/zinc/52/50/75/891525075.db2.gz	UHVWRTWNINCUAO-KURKYZTESA-N	1	0	371.481	1.998	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CC[NH+]([C@@H](C)C(=O)N(C)C)CC1	ZINC001001933251	891684828	/nfs/dbraw/zinc/68/48/28/891684828.db2.gz	GNTLQECMCIGTKJ-SZMVWBNQSA-N	1	0	365.518	1.663	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C#N)[nH]1)C2	ZINC001002086119	891907498	/nfs/dbraw/zinc/90/74/98/891907498.db2.gz	OEXWCHKJXVWPMU-NRSFXHEJSA-N	1	0	369.469	1.621	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccn3c[nH+]cc3c2)c[nH]1	ZINC001002136624	891974819	/nfs/dbraw/zinc/97/48/19/891974819.db2.gz	XZLWCHSRKGRKIU-NXHRZFHOSA-N	1	0	374.404	1.710	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)C(C)(C)[NH+]2CCCC2)C1	ZINC001002201002	892223277	/nfs/dbraw/zinc/22/32/77/892223277.db2.gz	MDYBQSSALMOABG-IRXDYDNUSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1	ZINC000940310561	892254009	/nfs/dbraw/zinc/25/40/09/892254009.db2.gz	DHHBLYMRUJBIDW-VQHPVUNQSA-N	1	0	363.502	1.273	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001002236618	892347219	/nfs/dbraw/zinc/34/72/19/892347219.db2.gz	JAWXUANLTBHGQF-DNVCBOLYSA-N	1	0	353.466	1.125	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CC2)[C@H](C)C1	ZINC001106922419	892594333	/nfs/dbraw/zinc/59/43/33/892594333.db2.gz	CHRDTBYFHDIYFR-CRAIPNDOSA-N	1	0	353.466	1.173	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)c(F)c1	ZINC000921907654	892700591	/nfs/dbraw/zinc/70/05/91/892700591.db2.gz	HOVAENMQHLFNJL-MRXNPFEDSA-N	1	0	367.446	1.370	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)cc1Cl	ZINC000921913287	892793603	/nfs/dbraw/zinc/79/36/03/892793603.db2.gz	XCCCNKSKSHKMNM-AWEZNQCLSA-N	1	0	369.874	1.743	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnn3c2C[C@H](C)CC3)C[C@H]1C	ZINC001106930875	893022860	/nfs/dbraw/zinc/02/28/60/893022860.db2.gz	IQWDGPUTOQTPEP-BRWVUGGUSA-N	1	0	358.486	1.413	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(OCC)cc2)C[C@H]1C	ZINC001106939765	893105196	/nfs/dbraw/zinc/10/51/96/893105196.db2.gz	KURDRAUUZMJXOY-NVXWUHKLSA-N	1	0	359.470	1.685	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCOC3(C2)CCCCCC3)CC1	ZINC000672355937	893175603	/nfs/dbraw/zinc/17/56/03/893175603.db2.gz	FJEAAFVIFQCEQY-UHFFFAOYSA-N	1	0	363.502	1.705	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000465951537	893244770	/nfs/dbraw/zinc/24/47/70/893244770.db2.gz	NSRKWRWPECMZIV-AWEZNQCLSA-N	1	0	361.421	1.084	20	30		FDEDRO
C=CCn1cccc1C(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C1	ZINC001002616397	893383651	/nfs/dbraw/zinc/38/36/51/893383651.db2.gz	UQVFETPBMYCFAK-HZPDHXFCSA-N	1	0	367.453	1.400	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)[C@H](OC)C1	ZINC001212453191	893477418	/nfs/dbraw/zinc/47/74/18/893477418.db2.gz	PNTAOXLRBIHZOU-BRSBDYLESA-N	1	0	355.523	1.491	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2CCN(Cc3cnc(C(F)(F)F)nc3)C[C@H]21	ZINC001084236699	913799284	/nfs/dbraw/zinc/79/92/84/913799284.db2.gz	OCQAGHLRJZGVDM-RAIGVLPGSA-N	1	0	353.348	1.688	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC[C@H]2CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)nc1	ZINC001002746227	893822494	/nfs/dbraw/zinc/82/24/94/893822494.db2.gz	UNYBJDFDGTZIMQ-BPQIPLTHSA-N	1	0	368.481	1.466	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1	ZINC000941103009	893858237	/nfs/dbraw/zinc/85/82/37/893858237.db2.gz	LTQSQOFEAJPHDS-BZSNNMDCSA-N	1	0	363.502	1.370	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C3)cc1	ZINC001002802824	893999022	/nfs/dbraw/zinc/99/90/22/893999022.db2.gz	MWSJPIRZIUPDPO-MKXGPGLRSA-N	1	0	351.450	1.481	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1	ZINC000941211529	894259152	/nfs/dbraw/zinc/25/91/52/894259152.db2.gz	KIYSLLWVMGDCML-SJORKVTESA-N	1	0	361.486	1.124	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C(=O)OC)oc1CC	ZINC000922022925	894403262	/nfs/dbraw/zinc/40/32/62/894403262.db2.gz	DQYLYMSCXCRMEO-UHFFFAOYSA-N	1	0	368.455	1.347	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000922027695	894553746	/nfs/dbraw/zinc/55/37/46/894553746.db2.gz	ZVXBTSAFVFZRQU-UHFFFAOYSA-N	1	0	371.846	1.966	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000922024339	894561685	/nfs/dbraw/zinc/56/16/85/894561685.db2.gz	PKXDRYNHGOPEOG-UHFFFAOYSA-N	1	0	371.846	1.966	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CCCCCNC(C)=O)C[C@H]1C	ZINC001106955287	894750571	/nfs/dbraw/zinc/75/05/71/894750571.db2.gz	XQTUVIJVSSEELE-SJLPKXTDSA-N	1	0	353.507	1.570	20	30		FDEDRO
Cc1ccc(CC(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)cc1C	ZINC001106956882	894943912	/nfs/dbraw/zinc/94/39/12/894943912.db2.gz	DYQDSUATRZKJAU-SJLPKXTDSA-N	1	0	356.470	1.170	20	30		FDEDRO
CC(=O)N1CC(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1	ZINC001084306363	913947981	/nfs/dbraw/zinc/94/79/81/913947981.db2.gz	RYZBSENRQPFCEW-IEBWSBKVSA-N	1	0	352.438	1.069	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCN(C2C[NH+](CCCF)C2)CC1	ZINC000941599510	895353079	/nfs/dbraw/zinc/35/30/79/895353079.db2.gz	AASRHSOZVDIRGM-ROUUACIJSA-N	1	0	353.482	1.546	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCN(C2C[NH+](C[C@H](C)OC)C2)CC1	ZINC000941600156	895354780	/nfs/dbraw/zinc/35/47/80/895354780.db2.gz	WJOBIEDLOLNXGO-WDSOQIARSA-N	1	0	365.518	1.221	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C(=O)N(C)C)cc2)C1	ZINC001031988985	896199689	/nfs/dbraw/zinc/19/96/89/896199689.db2.gz	SWAIVNGRAFXBCP-MOPGFXCFSA-N	1	0	371.481	1.528	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CC4(O)CCC4)[C@@H]3C2)cc1	ZINC001084331752	914045254	/nfs/dbraw/zinc/04/52/54/914045254.db2.gz	FZPGRUAQIHIVJB-IEBWSBKVSA-N	1	0	369.465	1.927	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@H]2CC[N@@H+](C[C@H](O)Cc3ccc(F)cc3)C[C@H]21	ZINC001084334007	914054901	/nfs/dbraw/zinc/05/49/01/914054901.db2.gz	KWWLIFVTBKQNKQ-MISYRCLQSA-N	1	0	356.441	1.675	20	30		FDEDRO
C#CCC1(NC(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)CCOCC1	ZINC000888384308	896740457	/nfs/dbraw/zinc/74/04/57/896740457.db2.gz	SIVCPCVDAVZUMR-KRWDZBQOSA-N	1	0	350.507	1.132	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCc2nc(C)cs2)CC1	ZINC000671110741	896777952	/nfs/dbraw/zinc/77/79/52/896777952.db2.gz	IVQDUZDDKYUSFC-UHFFFAOYSA-N	1	0	350.488	1.267	20	30		FDEDRO
CO[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C	ZINC001212428100	896899463	/nfs/dbraw/zinc/89/94/63/896899463.db2.gz	OFRHVXSLFHBZQZ-NJDAHSKKSA-N	1	0	369.509	1.728	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C	ZINC001212428365	896910782	/nfs/dbraw/zinc/91/07/82/896910782.db2.gz	YGBJZNHCTDXGHG-XUVXKRRUSA-N	1	0	370.497	1.748	20	30		FDEDRO
C=CC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)n1	ZINC001128113629	897216655	/nfs/dbraw/zinc/21/66/55/897216655.db2.gz	ZDIPDDCZGVQCOF-TXJVSEOTSA-N	1	0	370.497	1.867	20	30		FDEDRO
C[C@@H]1CN(C(=O)CNC(=O)C(C)(C)C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001106976585	897291894	/nfs/dbraw/zinc/29/18/94/897291894.db2.gz	OSBDRCGYKMPESM-CRAIPNDOSA-N	1	0	370.497	1.905	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)[C@H](OC)C2)CC1	ZINC000942596352	897501943	/nfs/dbraw/zinc/50/19/43/897501943.db2.gz	ZVLINKSVZPFCJT-KZNAEPCWSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](CCc2cnn(CC)c2)C1	ZINC001032040496	897584789	/nfs/dbraw/zinc/58/47/89/897584789.db2.gz	GHIIJPVTHUYRRL-OALUTQOASA-N	1	0	360.502	1.865	20	30		FDEDRO
C[C@@H](C(=O)N[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H]1O)c1cccnc1	ZINC001078023569	897616162	/nfs/dbraw/zinc/61/61/62/897616162.db2.gz	DJFZQZUDEQPVAH-UPRAQXHNSA-N	1	0	368.412	1.557	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@H](OC)C3CCCC3)C[C@H]2O)nc1	ZINC001078031457	897672294	/nfs/dbraw/zinc/67/22/94/897672294.db2.gz	UZSVHWVWRHFETO-QRVBRYPASA-N	1	0	357.454	1.043	20	30		FDEDRO
N#Cc1cc(C[NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)cs1	ZINC000921756220	897672327	/nfs/dbraw/zinc/67/23/27/897672327.db2.gz	HJWFGTGROZRREC-UHFFFAOYSA-N	1	0	369.512	1.683	20	30		FDEDRO
CCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000942743803	897720254	/nfs/dbraw/zinc/72/02/54/897720254.db2.gz	JFXUYFPDXKPJGN-FVQBIDKESA-N	1	0	357.458	1.290	20	30		FDEDRO
CCCNC(=O)[C@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000250575697	897958909	/nfs/dbraw/zinc/95/89/09/897958909.db2.gz	ZJXQYYNLXKUKSE-WMZOPIPTSA-N	1	0	354.454	1.902	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2c(C)nn3cccnc23)C[C@H]1C	ZINC001106993755	898192101	/nfs/dbraw/zinc/19/21/01/898192101.db2.gz	RBVOJJLBTBBOSN-GDBMZVCRSA-N	1	0	357.458	1.538	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CCN(C(=O)Cc2cncn2C)C1	ZINC000942979731	898222332	/nfs/dbraw/zinc/22/23/32/898222332.db2.gz	LULCKDXDZHYQSH-OIISXLGYSA-N	1	0	360.458	1.003	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCOCc2ccccc2)C[C@H]1C	ZINC001106999349	898810082	/nfs/dbraw/zinc/81/00/82/898810082.db2.gz	QAQKHFXYMVAHIZ-UYAOXDASSA-N	1	0	358.482	1.927	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C	ZINC001078535477	898885443	/nfs/dbraw/zinc/88/54/43/898885443.db2.gz	SHIQZIYYJHUDLE-XHSDSOJGSA-N	1	0	353.507	1.566	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CNc3nc(C)cc(C#N)n3)C2)CC[N@@H+]1C	ZINC001061014836	899067852	/nfs/dbraw/zinc/06/78/52/899067852.db2.gz	WFQSYRLPVDLWII-HYVNUMGLSA-N	1	0	356.474	1.647	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1	ZINC000943705725	899255975	/nfs/dbraw/zinc/25/59/75/899255975.db2.gz	MBADBBUQIISKBT-ZKXLYKBJSA-N	1	0	363.502	1.463	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)c2cccc(F)c2)C[C@H]1C	ZINC001107007431	899413136	/nfs/dbraw/zinc/41/31/36/899413136.db2.gz	ZAEZSEGNNAGQDU-BFYDXBDKSA-N	1	0	359.445	1.363	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](OC)C1	ZINC000943797227	899417682	/nfs/dbraw/zinc/41/76/82/899417682.db2.gz	TUSUPTXMOINIQR-IAGOWNOFSA-N	1	0	370.453	1.892	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)C[C@H]1C	ZINC001107008523	899448117	/nfs/dbraw/zinc/44/81/17/899448117.db2.gz	OLENHJVTOMPNNO-ZACQAIPSSA-N	1	0	356.532	1.994	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CNC(=O)NCc2ccco2)C[C@H]1C	ZINC001107028859	899640719	/nfs/dbraw/zinc/64/07/19/899640719.db2.gz	GNFGPUDAMDJLAY-TZMCWYRMSA-N	1	0	368.865	1.515	20	30		FDEDRO
[NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1	ZINC000415643064	899834613	/nfs/dbraw/zinc/83/46/13/899834613.db2.gz	ISBWRWPWNUQJFE-APWZRJJASA-N	1	0	362.433	1.806	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cc(C(N)=O)cs2)C[C@H]1C	ZINC001107043236	900063974	/nfs/dbraw/zinc/06/39/74/900063974.db2.gz	NFCNRPFKZCEFJF-TZMCWYRMSA-N	1	0	351.472	1.347	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)CCCC)C[C@H]1C	ZINC001107044632	900088633	/nfs/dbraw/zinc/08/86/33/900088633.db2.gz	JLIDGIBVWMILOG-HZPDHXFCSA-N	1	0	360.520	1.088	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CC(C)C)C[C@H]1C	ZINC001107054355	900204530	/nfs/dbraw/zinc/20/45/30/900204530.db2.gz	MFQVCJDLIVNFDB-IEBWSBKVSA-N	1	0	369.509	1.932	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cc(C)no2)[C@H](C)C1	ZINC001107062408	900370857	/nfs/dbraw/zinc/37/08/57/900370857.db2.gz	KHBCRHWMQCVITP-VHDGCEQUSA-N	1	0	364.446	1.197	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CCOCC(F)(F)F)[C@H](C)C1	ZINC001107062782	900379565	/nfs/dbraw/zinc/37/95/65/900379565.db2.gz	SQRKELOAFRSOAW-ZIAGYGMSSA-N	1	0	352.397	1.842	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC2CC2)[C@H](C)C1	ZINC001107062859	900391455	/nfs/dbraw/zinc/39/14/55/900391455.db2.gz	WHIZBVMSUDPZAH-BFYDXBDKSA-N	1	0	351.491	1.130	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCCCC2)[C@H](C)C1	ZINC001107063640	900449549	/nfs/dbraw/zinc/44/95/49/900449549.db2.gz	WFDXVTLZKHTSGM-FGTMMUONSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CCCO[C@H]2CCOC2)[C@H](C)C1	ZINC001107065579	900456075	/nfs/dbraw/zinc/45/60/75/900456075.db2.gz	TWXQXUNZUHBLJQ-KURKYZTESA-N	1	0	354.491	1.459	20	30		FDEDRO
C[C@H](NC(=[NH+]CC(=O)N(C)C)N1CC[C@@]2(CCOC2)C1)c1ccccc1	ZINC000185534416	900516637	/nfs/dbraw/zinc/51/66/37/900516637.db2.gz	ICWZXVAUWPKGPE-OXJNMPFZSA-N	1	0	358.486	1.894	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001107081227	900607361	/nfs/dbraw/zinc/60/73/61/900607361.db2.gz	LUFDBLBIBBNVTK-CZUORRHYSA-N	1	0	360.433	1.537	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001107081433	900608659	/nfs/dbraw/zinc/60/86/59/900608659.db2.gz	PFGBODZSSSGBMD-NVXWUHKLSA-N	1	0	359.445	1.517	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1	ZINC000763948700	900860769	/nfs/dbraw/zinc/86/07/69/900860769.db2.gz	QRTNAGOYRDLIQV-UHFFFAOYSA-N	1	0	364.877	1.541	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2[nH]cnc2C)C[C@H]1C	ZINC001107097569	900916644	/nfs/dbraw/zinc/91/66/44/900916644.db2.gz	SHEUVGWJURDGPP-GDBMZVCRSA-N	1	0	359.474	1.216	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CCC1	ZINC001063486289	900939784	/nfs/dbraw/zinc/93/97/84/900939784.db2.gz	RVBLQQBNGWLPTR-ZACQAIPSSA-N	1	0	363.502	1.607	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CCC(C)C)NC(C)=O)C[C@H]1C	ZINC001107099553	900967093	/nfs/dbraw/zinc/96/70/93/900967093.db2.gz	HZWXJKHWRVZOMK-BHIYHBOVSA-N	1	0	365.518	1.261	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)c2cccnc2)[C@@H](n2ccnn2)C1	ZINC001129300758	900977880	/nfs/dbraw/zinc/97/78/80/900977880.db2.gz	GTZBJIOEMUZEMO-NXHRZFHOSA-N	1	0	352.442	1.232	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC([C@@H](C)NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nc1	ZINC001006184903	901015526	/nfs/dbraw/zinc/01/55/26/901015526.db2.gz	QAEZDRMTIZBVQH-DKSSEZFCSA-N	1	0	368.481	1.370	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CCNc2cnc(C#N)cn2)CC[N@@H+]1C	ZINC001063853520	901169997	/nfs/dbraw/zinc/16/99/97/901169997.db2.gz	SCMIRLXSCMZUTB-HYVNUMGLSA-N	1	0	356.474	1.872	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](OC)C2CCCCC2)C[C@H]1C	ZINC001107104325	901182838	/nfs/dbraw/zinc/18/28/38/901182838.db2.gz	YAFKBNJGFRHPDR-SUMDDJOVSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc(C)nc(C)n2)[C@@H](n2ccnn2)C1	ZINC001129315494	901297740	/nfs/dbraw/zinc/29/77/40/901297740.db2.gz	DDWQOLMJZTYBFV-SJORKVTESA-N	1	0	355.446	1.306	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNC(=O)[C@H](CC)[NH+](CC)CC)CCC1	ZINC001064473623	901315197	/nfs/dbraw/zinc/31/51/97/901315197.db2.gz	GBALCTNJERFXBR-IKGGRYGDSA-N	1	0	365.518	1.853	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CCN(c4ncccc4C#N)C3)C2)CC[N@@H+]1C	ZINC001064649845	901518675	/nfs/dbraw/zinc/51/86/75/901518675.db2.gz	JLGQDXOJHOYOJN-WRWLIDTKSA-N	1	0	353.470	1.722	20	30		FDEDRO
N#Cc1c(N2CCCN(CC(=O)N3CCCC3)CC2)nc2ccccn21	ZINC000272889115	901628865	/nfs/dbraw/zinc/62/88/65/901628865.db2.gz	JDLHTQULOWUMBD-UHFFFAOYSA-N	1	0	352.442	1.340	20	30		FDEDRO
N#Cc1ccc(N2C[C@@H]3CCN(C(=O)CCCC[NH+]4CCCC4)[C@@H]3C2)nn1	ZINC001090326145	901706528	/nfs/dbraw/zinc/70/65/28/901706528.db2.gz	PLYIIMQCHNLJSG-FUHWJXTLSA-N	1	0	368.485	1.651	20	30		FDEDRO
C[NH+](C)C1(CC(=O)N2CC[C@H]3CN(c4ccnc(C#N)n4)C[C@H]32)CCCC1	ZINC001090346229	901762418	/nfs/dbraw/zinc/76/24/18/901762418.db2.gz	NOTPASSQIPBSID-JKSUJKDBSA-N	1	0	368.485	1.650	20	30		FDEDRO
CC[C@H](C(=O)N1CC[C@H]2CN(c3ccnc(C#N)n3)C[C@H]21)[NH+](CC)CC	ZINC001090355406	901826045	/nfs/dbraw/zinc/82/60/45/901826045.db2.gz	KWSMVAIQJBTHHY-ARFHVFGLSA-N	1	0	356.474	1.506	20	30		FDEDRO
C[N@H+](CC(=O)N1CC[C@H]2CN(c3cncc(C#N)n3)C[C@H]21)CC(C)(C)C	ZINC001090355367	901826388	/nfs/dbraw/zinc/82/63/88/901826388.db2.gz	JYLMINJDBURQGP-GOEBONIOSA-N	1	0	356.474	1.363	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001065197424	901914529	/nfs/dbraw/zinc/91/45/29/901914529.db2.gz	QXURXJFWAYTVIP-IXDOHACOSA-N	1	0	365.518	1.663	20	30		FDEDRO
COCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cc(C#N)c[nH]2)C1	ZINC001079132257	901944291	/nfs/dbraw/zinc/94/42/91/901944291.db2.gz	BRCJKKVLXKOOTG-RTBURBONSA-N	1	0	368.437	1.220	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC(=O)N2)C1	ZINC001079146509	901967199	/nfs/dbraw/zinc/96/71/99/901967199.db2.gz	QUCBEZMEIQGJPJ-IPMKNSEASA-N	1	0	371.481	1.305	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC[C@H]1c1ccc(F)cc1	ZINC001079152202	901986849	/nfs/dbraw/zinc/98/68/49/901986849.db2.gz	AGTQBWAHXKYJKU-ZWQIFLOQSA-N	1	0	371.456	1.648	20	30		FDEDRO
CC[C@H]([NH2+][C@@H]1CN(C(=O)C#CC2CC2)CC[C@H]1c1ccc(F)cc1)C(N)=O	ZINC001079152608	901988325	/nfs/dbraw/zinc/98/83/25/901988325.db2.gz	UPFHVAIGLWUSLO-GBESFXJTSA-N	1	0	371.456	1.777	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1c1cccc(F)c1	ZINC001079180477	902067277	/nfs/dbraw/zinc/06/72/77/902067277.db2.gz	VUSBCOMUSWKPCF-DLBZAZTESA-N	1	0	357.433	1.915	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2COCCN2C)C[C@H]1c1cccc(F)c1	ZINC001079180383	902067359	/nfs/dbraw/zinc/06/73/59/902067359.db2.gz	QTNQTIQMRKRYDR-OTWHNJEPSA-N	1	0	361.461	1.616	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CN2CCCCC2=O)CC[C@H]1c1ccc(F)cc1	ZINC001079154566	902068246	/nfs/dbraw/zinc/06/82/46/902068246.db2.gz	KMTCWJUAUSNZND-RBUKOAKNSA-N	1	0	371.456	1.746	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)CC[C@H]1c1ccc(F)cc1	ZINC001079157807	902076010	/nfs/dbraw/zinc/07/60/10/902076010.db2.gz	CFUDPUFMWVHFCR-QKLQHJQFSA-N	1	0	357.429	1.259	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc(N(C)C)cn2)C[C@H]1c1cccc(F)c1	ZINC001079183535	902125811	/nfs/dbraw/zinc/12/58/11/902125811.db2.gz	HWCURYBDNQGGQC-FUHWJXTLSA-N	1	0	367.428	1.513	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CCO)C1	ZINC001079183668	902127004	/nfs/dbraw/zinc/12/70/04/902127004.db2.gz	NWEJVSLKHMCUGV-HCXYKTFWSA-N	1	0	362.445	1.683	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)COCC3)C[C@H]1c1cccc(F)c1	ZINC001079188510	902136705	/nfs/dbraw/zinc/13/67/05/902136705.db2.gz	CHEXSEBTXWKOSS-DLBZAZTESA-N	1	0	368.412	1.383	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@H]1c1cccc(F)c1	ZINC001079189186	902140130	/nfs/dbraw/zinc/14/01/30/902140130.db2.gz	HJQFTFUAQIZXMC-ZWKOTPCHSA-N	1	0	357.429	1.355	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCCN2CC)C[C@H]1c1cccc(F)c1	ZINC001079189034	902140223	/nfs/dbraw/zinc/14/02/23/902140223.db2.gz	CRRBRTHLJIFQLP-OTWHNJEPSA-N	1	0	359.445	1.064	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1c1cccc(F)c1	ZINC001079189374	902141174	/nfs/dbraw/zinc/14/11/74/902141174.db2.gz	MDYQTZQLSDROJR-ZWKOTPCHSA-N	1	0	355.413	1.908	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1c1cccc(F)c1	ZINC001079191269	902148121	/nfs/dbraw/zinc/14/81/21/902148121.db2.gz	GJTBWRMSXBGXRE-JKSUJKDBSA-N	1	0	355.369	1.349	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](OC)c2cnn(C)c2)C[C@H]1c1cccc(F)c1	ZINC001079192587	902151351	/nfs/dbraw/zinc/15/13/51/902151351.db2.gz	PKAGVVLZRYCSRD-OTWHNJEPSA-N	1	0	370.428	1.464	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1c1cccc(F)c1	ZINC001079195083	902156146	/nfs/dbraw/zinc/15/61/46/902156146.db2.gz	CDGRWVDFUWSLLV-DOTOQJQBSA-N	1	0	356.401	1.683	20	30		FDEDRO
O=C(C#CC1CC1)N1CC2(CC[NH+](Cc3cncs3)CC2)[C@H]2COC[C@H]21	ZINC001079241291	902191870	/nfs/dbraw/zinc/19/18/70/902191870.db2.gz	SGQAFBVXCAJVGR-ZWKOTPCHSA-N	1	0	371.506	1.996	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)Cn3cc(C)cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079227104	902238297	/nfs/dbraw/zinc/23/82/97/902238297.db2.gz	CHRYASSBNIZMHZ-ZWKOTPCHSA-N	1	0	356.470	1.154	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cnc4[nH]ccc4c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079246990	902258765	/nfs/dbraw/zinc/25/87/65/902258765.db2.gz	FUCMYPLTZJPVHC-ZWKOTPCHSA-N	1	0	364.449	1.701	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3nc(C)sc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079247033	902259797	/nfs/dbraw/zinc/25/97/97/902259797.db2.gz	HWBHCRGCLVUNAK-JKSUJKDBSA-N	1	0	359.495	1.946	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)Cc3ccc(F)cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079248229	902263933	/nfs/dbraw/zinc/26/39/33/902263933.db2.gz	MYPOXIWNZPYBCY-RBUKOAKNSA-N	1	0	371.456	1.726	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3n[nH]c4c3CCCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079250354	902269372	/nfs/dbraw/zinc/26/93/72/902269372.db2.gz	ZKTPVEMZWGJFLG-FUHWJXTLSA-N	1	0	368.481	1.475	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3cn(C)ccc3=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079251238	902271894	/nfs/dbraw/zinc/27/18/94/902271894.db2.gz	MTECWGDNEZAWGZ-ZWKOTPCHSA-N	1	0	371.481	1.514	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)[C@@H](OC)C3CCC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079253924	902277178	/nfs/dbraw/zinc/27/71/78/902277178.db2.gz	HHKUKYNWAVLPDP-OTWHNJEPSA-N	1	0	360.498	1.764	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cncc(OC)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079265290	902309048	/nfs/dbraw/zinc/30/90/48/902309048.db2.gz	BRIBYLZLATVHFY-DOTOQJQBSA-N	1	0	370.453	1.062	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)CCc3cn[nH]c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079265507	902312623	/nfs/dbraw/zinc/31/26/23/902312623.db2.gz	MFMYEQKFPGGPTJ-ZWKOTPCHSA-N	1	0	358.486	1.858	20	30		FDEDRO
C=C(Cl)CN1CCC2(CN(C(=O)C[NH+]3CCCC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079273844	902313682	/nfs/dbraw/zinc/31/36/82/902313682.db2.gz	SNCNQGSJANRVHJ-DLBZAZTESA-N	1	0	367.921	1.774	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3c[nH]c4cccnc34)[C@@H]3COC[C@@H]32)CC1	ZINC001079270189	902327443	/nfs/dbraw/zinc/32/74/43/902327443.db2.gz	GINBFJGFOKOJBT-FUHWJXTLSA-N	1	0	364.449	1.749	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1c1ccccc1F	ZINC001079300289	902345102	/nfs/dbraw/zinc/34/51/02/902345102.db2.gz	AFGKAIMHQKOHNJ-QILLFSRXSA-N	1	0	359.445	1.812	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn(C)ccc2=O)C[C@H]1c1ccccc1F	ZINC001079302961	902353638	/nfs/dbraw/zinc/35/36/38/902353638.db2.gz	TUPQHLOKRVKBDZ-MAUKXSAKSA-N	1	0	355.413	1.908	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1c1ccccc1F	ZINC001079291891	902392204	/nfs/dbraw/zinc/39/22/04/902392204.db2.gz	PMZXDRHJQNMTJI-PKOBYXMFSA-N	1	0	361.461	1.618	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H](c2ccccc2F)[C@H]([NH2+][C@@H]2CCNC2=O)C1	ZINC001079295929	902400635	/nfs/dbraw/zinc/40/06/35/902400635.db2.gz	XULLIWOPXMQEKK-CGTJXYLNSA-N	1	0	355.413	1.012	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)co2)C[C@H]1c1ccccc1F	ZINC001079309504	902443349	/nfs/dbraw/zinc/44/33/49/902443349.db2.gz	ATDRMGJEHNRAPX-GOEBONIOSA-N	1	0	357.385	1.901	20	30		FDEDRO
C#Cc1cncc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C3)c1	ZINC000995920313	902614782	/nfs/dbraw/zinc/61/47/82/902614782.db2.gz	VKDAYUYVFGCPLP-OWSLCNJRSA-N	1	0	352.438	1.019	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C(C)(C)C1	ZINC000995920508	902616444	/nfs/dbraw/zinc/61/64/44/902616444.db2.gz	FQRXDQQIYOAREP-QGTPRVQTSA-N	1	0	357.454	1.689	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)Cc3cnn(C)c3)C2)cc1C#N	ZINC001079473104	902652168	/nfs/dbraw/zinc/65/21/68/902652168.db2.gz	YPFLRFPUFBUWER-RDTXWAMCSA-N	1	0	367.453	1.480	20	30		FDEDRO
Cc1nn(C)cc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1C	ZINC001079490028	902699750	/nfs/dbraw/zinc/69/97/50/902699750.db2.gz	XYISQYLGPRHEST-AUUYWEPGSA-N	1	0	367.453	1.881	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC001079588725	902843723	/nfs/dbraw/zinc/84/37/23/902843723.db2.gz	LUQCDQFTUYNJPA-CXAGYDPISA-N	1	0	352.442	1.598	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccn3c[nH+]cc3c2)c1	ZINC000996000830	902873559	/nfs/dbraw/zinc/87/35/59/902873559.db2.gz	FJMBVEKFUKOTSD-HFTRVMKXSA-N	1	0	374.404	1.710	20	30		FDEDRO
CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C#N)c[nH]1)C2)[NH+](C)C	ZINC000996011298	902893500	/nfs/dbraw/zinc/89/35/00/902893500.db2.gz	XIUJLEFWJJCAJD-YQFWSFKMSA-N	1	0	357.458	1.334	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CC1(C)C	ZINC000996073114	902988333	/nfs/dbraw/zinc/98/83/33/902988333.db2.gz	YYIKXPIJUASQOR-RDBSUJKOSA-N	1	0	357.882	1.379	20	30		FDEDRO
CC(C)N1C[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)CC1=O	ZINC001079796868	903352550	/nfs/dbraw/zinc/35/25/50/903352550.db2.gz	QZNNVXRHDVZMRK-ATZDWAIDSA-N	1	0	368.481	1.752	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001079860927	903551787	/nfs/dbraw/zinc/55/17/87/903551787.db2.gz	FHBKYQFQYNXHKB-RYQLBKOJSA-N	1	0	365.518	1.757	20	30		FDEDRO
CCOc1cc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)[nH]n1	ZINC001079936210	903707835	/nfs/dbraw/zinc/70/78/35/903707835.db2.gz	VQRRAJVDQWZIHQ-CXAGYDPISA-N	1	0	353.426	1.930	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@H](C(C)C)[NH+](C)C)C1	ZINC001079951898	903752718	/nfs/dbraw/zinc/75/27/18/903752718.db2.gz	LBCVZVMZMNHOCA-IKGGRYGDSA-N	1	0	351.491	1.223	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCc2ccnn2C)C(C)(C)C1	ZINC000996401109	903851528	/nfs/dbraw/zinc/85/15/28/903851528.db2.gz	JHDAQJSMNFIZTI-KSZLIROESA-N	1	0	360.502	1.770	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cccc(C(N)=O)c1	ZINC001079975538	903864137	/nfs/dbraw/zinc/86/41/37/903864137.db2.gz	RMNQAMZJMCACJD-AUUYWEPGSA-N	1	0	362.433	1.907	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]2C)cc1	ZINC001079977740	903875339	/nfs/dbraw/zinc/87/53/39/903875339.db2.gz	HPDSSEBXBZBYHA-ZTFGCOKTSA-N	1	0	357.454	1.580	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cccc2ncnn21	ZINC001080056571	903952400	/nfs/dbraw/zinc/95/24/00/903952400.db2.gz	XTOUBPHENGJEDN-RHSMWYFYSA-N	1	0	360.421	1.851	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC=C)CC2	ZINC001107317851	904441671	/nfs/dbraw/zinc/44/16/71/904441671.db2.gz	DIANRVFQLHNWBJ-MBOZVWFJSA-N	1	0	363.502	1.631	20	30		FDEDRO
C=CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(=O)NCC=C)CC2	ZINC001107326985	904481861	/nfs/dbraw/zinc/48/18/61/904481861.db2.gz	MHKFWEQRUOWZEC-DNVCBOLYSA-N	1	0	362.474	1.325	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C)ncn3)CCC[C@@H]12	ZINC001107363477	904560859	/nfs/dbraw/zinc/56/08/59/904560859.db2.gz	BOHFZUWDYSKCHO-VQIMIIECSA-N	1	0	357.458	1.062	20	30		FDEDRO
Cc1nscc1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107365114	904567152	/nfs/dbraw/zinc/56/71/52/904567152.db2.gz	OORNLABXWNIYGB-RHSMWYFYSA-N	1	0	361.471	1.066	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH]c(C#N)c3)CCC[C@@H]12	ZINC001107372776	904601129	/nfs/dbraw/zinc/60/11/29/904601129.db2.gz	QTXWTLTVVQSMDL-VQIMIIECSA-N	1	0	355.442	1.163	20	30		FDEDRO
C#CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCCCOC)CC2	ZINC001107383644	904656900	/nfs/dbraw/zinc/65/69/00/904656900.db2.gz	AIQXUEYKMNTABT-YLJYHZDGSA-N	1	0	363.502	1.303	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CC3(OC)CCC3)CCC[C@@H]12	ZINC001107386006	904668235	/nfs/dbraw/zinc/66/82/35/904668235.db2.gz	CTAHLMKPTSSBLG-VQIMIIECSA-N	1	0	361.486	1.056	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[C@@H]3C(F)F)CCC[C@@H]12	ZINC001107387366	904674370	/nfs/dbraw/zinc/67/43/70/904674370.db2.gz	LCZZLGGAEGLVGA-UYAYXHRUSA-N	1	0	355.429	1.551	20	30		FDEDRO
O=C(C#CC1CC1)NC[C@]12CCC[C@H]1[N@H+](CCCO[C@H]1CCOC1)CC2	ZINC001107399825	904730795	/nfs/dbraw/zinc/73/07/95/904730795.db2.gz	LNTNSMAMOHIVBF-QKNQBKEWSA-N	1	0	360.498	1.956	20	30		FDEDRO
CO[C@@H]1C[N@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC001081563317	904770551	/nfs/dbraw/zinc/77/05/51/904770551.db2.gz	IZMXAKZTWRPWMO-KCPJHIHWSA-N	1	0	352.385	1.751	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(C)(C)C)CC2	ZINC001107401302	904777147	/nfs/dbraw/zinc/77/71/47/904777147.db2.gz	GWUVILUXCBAFDI-RZQQEMMASA-N	1	0	363.502	1.300	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C)nnc3C)CCC[C@@H]12	ZINC001107419443	904799714	/nfs/dbraw/zinc/79/97/14/904799714.db2.gz	XDOXSEWCDGQVOA-YLJYHZDGSA-N	1	0	371.485	1.370	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@]3(C)CC=CCC3)CCC[C@@H]12	ZINC001107419327	904800467	/nfs/dbraw/zinc/80/04/67/904800467.db2.gz	RADFHOSHCPYQHX-JRGCBEDISA-N	1	0	357.498	1.843	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1	ZINC000764481827	904812488	/nfs/dbraw/zinc/81/24/88/904812488.db2.gz	YYEXUPIZOMVAEF-DBVUQKKJSA-N	1	0	370.497	1.730	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)NS(=O)(=O)CC)CCC[C@@H]12	ZINC001107413877	904818999	/nfs/dbraw/zinc/81/89/99/904818999.db2.gz	XPAYZOQNVLTXHO-LZLYRXPVSA-N	1	0	371.547	1.641	20	30		FDEDRO
C=C(C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCCCOC)CC2	ZINC001107424567	904833785	/nfs/dbraw/zinc/83/37/85/904833785.db2.gz	VLOHISZNAJINMP-YLJYHZDGSA-N	1	0	365.518	1.856	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=S)Nc2ccccc2C#N)CC1	ZINC000764501074	904876961	/nfs/dbraw/zinc/87/69/61/904876961.db2.gz	BGTTXKMBRBVGBU-MRXNPFEDSA-N	1	0	357.483	1.493	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)CC(F)F)CCC[C@@H]12	ZINC001107433239	904888293	/nfs/dbraw/zinc/88/82/93/904888293.db2.gz	VUSZSUSYHUZRIN-QMTMVMCOSA-N	1	0	369.456	1.778	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cn([C@@H](C)COC)nc2C)[C@H](OC)C1	ZINC001081667253	904908780	/nfs/dbraw/zinc/90/87/80/904908780.db2.gz	SSTZTYGIOXMUBJ-IAOVAPTHSA-N	1	0	350.463	1.404	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC#CCOC)CC2	ZINC001107439743	904923252	/nfs/dbraw/zinc/92/32/52/904923252.db2.gz	QDTJSERAKHTBTE-QKNQBKEWSA-N	1	0	357.498	1.095	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001081691538	904937091	/nfs/dbraw/zinc/93/70/91/904937091.db2.gz	BWUCBAROUCKXFS-ZQNRLITLSA-N	1	0	374.460	1.353	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC(N(CC)C(=O)C[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC001080237626	904972646	/nfs/dbraw/zinc/97/26/46/904972646.db2.gz	XDDLBOZASBFWNY-ICSRJNTNSA-N	1	0	371.525	1.827	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCn4ccnc4C3)CCC[C@@H]12	ZINC001107454380	905011909	/nfs/dbraw/zinc/01/19/09/905011909.db2.gz	CDYRFHSCOVTCSZ-WAOWUJCRSA-N	1	0	370.497	1.456	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)[C@H](OC)C1	ZINC001081796497	905018209	/nfs/dbraw/zinc/01/82/09/905018209.db2.gz	YBEUWAJDOOSVME-BRWVUGGUSA-N	1	0	371.909	1.198	20	30		FDEDRO
CCc1cnccc1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107457597	905022781	/nfs/dbraw/zinc/02/27/81/905022781.db2.gz	FGWOOBCBWFUDOP-YLJYHZDGSA-N	1	0	369.469	1.258	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[C@H]1CCC(=O)N1C	ZINC001080250943	905041924	/nfs/dbraw/zinc/04/19/24/905041924.db2.gz	OESVFMVFYWKRAO-ZTFGCOKTSA-N	1	0	354.454	1.506	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[NH+]4CCC2CC4)C3)c1	ZINC000996725774	905059102	/nfs/dbraw/zinc/05/91/02/905059102.db2.gz	JSYDABIEMJBQFX-CVYDXHPNSA-N	1	0	367.453	1.090	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cc[nH]c3C(C)C)C2)C1=O	ZINC001080301763	905096682	/nfs/dbraw/zinc/09/66/82/905096682.db2.gz	FSJMAWZJRLBLPH-OIISXLGYSA-N	1	0	358.486	1.975	20	30		FDEDRO
Cc1nc[nH]c(=O)c1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C	ZINC001080303171	905102351	/nfs/dbraw/zinc/10/23/51/905102351.db2.gz	NQMKIAROZSFMHG-MLGOLLRUSA-N	1	0	351.410	1.613	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCO[C@H]3CC)CCC[C@@H]12	ZINC001107478422	905150337	/nfs/dbraw/zinc/15/03/37/905150337.db2.gz	XBADZFBGXONIQQ-AXVVYFOYSA-N	1	0	363.502	1.465	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@]1(F)CCOC1	ZINC001080327499	905162100	/nfs/dbraw/zinc/16/21/00/905162100.db2.gz	VEYCVPCDEMTLLR-BJZITVGISA-N	1	0	361.417	1.654	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(CCC)n[nH]3)CCC[C@@H]12	ZINC001107491544	905222022	/nfs/dbraw/zinc/22/20/22/905222022.db2.gz	FBKJLZMZWDEARJ-YLJYHZDGSA-N	1	0	371.485	1.086	20	30		FDEDRO
COc1ccc(C#N)cc1CN1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1	ZINC001080377344	905282772	/nfs/dbraw/zinc/28/27/72/905282772.db2.gz	MFUDDAFVIWSXHG-DNVCBOLYSA-N	1	0	370.497	1.845	20	30		FDEDRO
C[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2)C(F)(F)F	ZINC001107506640	905290206	/nfs/dbraw/zinc/29/02/06/905290206.db2.gz	LECHVJBZSYOQMO-YWPYICTPSA-N	1	0	360.380	1.185	20	30		FDEDRO
CC#CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC2)CC1	ZINC000996775786	905347661	/nfs/dbraw/zinc/34/76/61/905347661.db2.gz	ICRSZEGUNUNDJA-CSODTCANSA-N	1	0	369.513	1.582	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1CCCCC(=O)N1	ZINC001080424525	905347732	/nfs/dbraw/zinc/34/77/32/905347732.db2.gz	UHZUUAKPOJWRBT-ZTFGCOKTSA-N	1	0	354.454	1.554	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3(CCC=C)CC3)CCC[C@@H]12	ZINC001107536658	905421074	/nfs/dbraw/zinc/42/10/74/905421074.db2.gz	UIMZIQOGIODNTQ-DYESRHJHSA-N	1	0	357.498	1.843	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@]3(C)CCNC3=O)C2)cc1C#N	ZINC001080433849	905424263	/nfs/dbraw/zinc/42/42/63/905424263.db2.gz	SHLHALDPUVHEPO-OWDMVUQNSA-N	1	0	370.453	1.030	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@H]1C	ZINC001080472354	905494981	/nfs/dbraw/zinc/49/49/81/905494981.db2.gz	QPMSRXJEVXXXBU-DDBAPUKQSA-N	1	0	358.486	1.675	20	30		FDEDRO
Cc1cccc(C)c1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107557888	905587953	/nfs/dbraw/zinc/58/79/53/905587953.db2.gz	MUYAAHPCPXGPCU-DYESRHJHSA-N	1	0	368.481	1.918	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](F)c3ccccc3)CCC[C@@H]12	ZINC001107558600	905611277	/nfs/dbraw/zinc/61/12/77/905611277.db2.gz	BLEQGVYGGKOVBT-YFVAEKQCSA-N	1	0	371.456	1.807	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCOC)CC2	ZINC001107569561	905690171	/nfs/dbraw/zinc/69/01/71/905690171.db2.gz	CXJYQDQYVWLJOA-QWFCFKBJSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@H]2C)nn1	ZINC001080586014	905749600	/nfs/dbraw/zinc/74/96/00/905749600.db2.gz	XGIGGYMHWCTXPQ-CRAIPNDOSA-N	1	0	369.469	1.597	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)COCc3nncn3C)CCC[C@@H]12	ZINC001107593137	905872704	/nfs/dbraw/zinc/87/27/04/905872704.db2.gz	FUTJBSUQTUWUOB-VQIMIIECSA-N	1	0	361.490	1.659	20	30		FDEDRO
C=CCOCCCC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001082103502	905877889	/nfs/dbraw/zinc/87/78/89/905877889.db2.gz	NKWPRBMNBVAVNV-FGTMMUONSA-N	1	0	365.518	1.807	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc4c([nH]3)CCC4)CCC[C@@H]12	ZINC001107606331	905919083	/nfs/dbraw/zinc/91/90/83/905919083.db2.gz	WQIANLRFQYOHEW-WIYYLYMNSA-N	1	0	368.481	1.227	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC(=O)N3C)CCC[C@@H]12	ZINC001107622829	906024983	/nfs/dbraw/zinc/02/49/83/906024983.db2.gz	BCTUAIUDFBQNFZ-MBOZVWFJSA-N	1	0	363.502	1.561	20	30		FDEDRO
CCc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)cc1	ZINC001107623046	906027230	/nfs/dbraw/zinc/02/72/30/906027230.db2.gz	OXZAXOHKDMTWFP-WIYYLYMNSA-N	1	0	368.481	1.863	20	30		FDEDRO
Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)cc1C	ZINC001107623140	906029849	/nfs/dbraw/zinc/02/98/49/906029849.db2.gz	RABDXIDFJGYTQI-WIYYLYMNSA-N	1	0	368.481	1.918	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](C[C@H](O)c3ccc(CC)cc3)C[C@H]2O)C1	ZINC001077641806	906037268	/nfs/dbraw/zinc/03/72/68/906037268.db2.gz	IVAHCNWMYMXALT-CEXWTWQISA-N	1	0	358.482	1.800	20	30		FDEDRO
C#Cc1ccccc1CC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H](O)COC)CC2	ZINC001107621869	906066037	/nfs/dbraw/zinc/06/60/37/906066037.db2.gz	ZOHPSLFPCRZSTJ-TUNNFDKTSA-N	1	0	370.493	1.579	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)c3nccnc3C(N)=O)CCC[C@@H]12	ZINC001107627845	906095629	/nfs/dbraw/zinc/09/56/29/906095629.db2.gz	HFNHIOUEOMEIGO-AUUYWEPGSA-N	1	0	357.458	1.516	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)COc3ccc(C(N)=O)cc3)CCC[C@@H]12	ZINC001107638551	906182451	/nfs/dbraw/zinc/18/24/51/906182451.db2.gz	FWDYWHJDUAGMRP-YLJYHZDGSA-N	1	0	357.454	1.711	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCC(F)(F)C3)C[C@H]2O)c1	ZINC001077648630	906212167	/nfs/dbraw/zinc/21/21/67/906212167.db2.gz	POSPIABOTGJVQP-DJIMGWMZSA-N	1	0	363.408	1.663	20	30		FDEDRO
C=CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCN1CCCC1=O)CC2	ZINC001107650632	906225615	/nfs/dbraw/zinc/22/56/15/906225615.db2.gz	INDOGQQEXLSRFD-MBOZVWFJSA-N	1	0	363.502	1.561	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CCNC(=O)[C@H]3CCCO3)CCC[C@@H]12	ZINC001107655169	906256685	/nfs/dbraw/zinc/25/66/85/906256685.db2.gz	RNIXMSQZPOWHBT-MBOZVWFJSA-N	1	0	361.486	1.056	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)c3cnn(C)c3)CCC[C@@H]12	ZINC001107662563	906290941	/nfs/dbraw/zinc/29/09/41/906290941.db2.gz	ANOYCXSXBLCYNW-YVWKXTFCSA-N	1	0	358.486	1.534	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccnn2C2CCOCC2)[C@H](OC)C1	ZINC001082217117	906314321	/nfs/dbraw/zinc/31/43/21/906314321.db2.gz	KQPVDTXZQFZMFT-SJLPKXTDSA-N	1	0	362.474	1.630	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@H]2OC)nn1	ZINC001082219142	906323834	/nfs/dbraw/zinc/32/38/34/906323834.db2.gz	WRRSSBCWTGSAEK-UKRRQHHQSA-N	1	0	369.416	1.329	20	30		FDEDRO
CON=Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1	ZINC000765353830	906887620	/nfs/dbraw/zinc/88/76/20/906887620.db2.gz	SBCUUTBOUMLVMU-LPHOPBHVSA-N	1	0	358.486	1.765	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2N(C)C)C[C@H]1O	ZINC001077694517	906897744	/nfs/dbraw/zinc/89/77/44/906897744.db2.gz	USOCQMSBWCRNMF-RWQQGDIJSA-N	1	0	359.470	1.005	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC000997028015	906955858	/nfs/dbraw/zinc/95/58/58/906955858.db2.gz	JZAOBIYROSAUKT-WBOSRHFRSA-N	1	0	369.469	1.478	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2cc(=O)c(OC)co2)CC1	ZINC000997021306	906966600	/nfs/dbraw/zinc/96/66/00/906966600.db2.gz	KTAITJQSRRHSPM-WBVHZDCISA-N	1	0	362.426	1.320	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3cccnc3OC)C[C@H]2C)CC1	ZINC001080997389	906969812	/nfs/dbraw/zinc/96/98/12/906969812.db2.gz	BGWGBHJSKMVVQO-VQIMIIECSA-N	1	0	370.497	1.372	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cnnn3)cc2)[C@H](OC)C1	ZINC001082358931	907097077	/nfs/dbraw/zinc/09/70/77/907097077.db2.gz	ZCDYLWPXMPIXJY-IAGOWNOFSA-N	1	0	356.430	1.058	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCc2cnn(C)c2)C1	ZINC001081098382	907162448	/nfs/dbraw/zinc/16/24/48/907162448.db2.gz	AEMDYBBXWFSQBR-AYOQOUSVSA-N	1	0	351.454	1.706	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)N2C(=O)CCC2=O)C[C@H]1c1ccccc1	ZINC001081123423	907183529	/nfs/dbraw/zinc/18/35/29/907183529.db2.gz	SOVICDCVHDMFAB-BPQIPLTHSA-N	1	0	369.465	1.684	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ncnn2CCC)CC1	ZINC000997082332	907204801	/nfs/dbraw/zinc/20/48/01/907204801.db2.gz	ZFFKBSRDZLFEKX-WMZOPIPTSA-N	1	0	361.490	1.750	20	30		FDEDRO
CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2c2ccccc2)C1=O	ZINC001081114720	907214148	/nfs/dbraw/zinc/21/41/48/907214148.db2.gz	ISTSIRPVIQTZSL-XUVXKRRUSA-N	1	0	365.477	1.605	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3nnn(C)c3c2)C[C@H]1c1ccccc1	ZINC001081219358	907331033	/nfs/dbraw/zinc/33/10/33/907331033.db2.gz	YIHLVJXAYVOZGU-PKOBYXMFSA-N	1	0	359.433	1.799	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCC2)C[C@H]1c1ccccc1	ZINC001081205230	907394450	/nfs/dbraw/zinc/39/44/50/907394450.db2.gz	MTXAPBHNNBNORC-DLBZAZTESA-N	1	0	362.495	1.724	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)CCn2cccn2)C[C@H]1C	ZINC001082427903	907675038	/nfs/dbraw/zinc/67/50/38/907675038.db2.gz	RSMCOQHCJSJBFE-CRAIPNDOSA-N	1	0	367.453	1.790	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2c(Br)cnn2C)C1	ZINC001082451182	907729816	/nfs/dbraw/zinc/72/98/16/907729816.db2.gz	SAAKNHWTJLWZOF-CKYFFXLPSA-N	1	0	354.252	1.279	20	30		FDEDRO
CC(C)CC(=O)N1CCC(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)CC1	ZINC001082451360	907730726	/nfs/dbraw/zinc/73/07/26/907730726.db2.gz	XOURHHBFVJFVGE-LZLYRXPVSA-N	1	0	362.518	1.867	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082460954	907889828	/nfs/dbraw/zinc/88/98/28/907889828.db2.gz	HPNHODJDXKDLQU-RDTXWAMCSA-N	1	0	366.421	1.940	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccc(C#N)cc2F)CC[N@@H+]1C	ZINC001032411026	907893945	/nfs/dbraw/zinc/89/39/45/907893945.db2.gz	DZPFVCHVFSTDKF-XFKAJCMBSA-N	1	0	356.445	1.823	20	30		FDEDRO
COc1ccc(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1C#N	ZINC001032411689	907906032	/nfs/dbraw/zinc/90/60/32/907906032.db2.gz	VKEKYPFJJVYKKV-GRGSLBFTSA-N	1	0	368.481	1.692	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnc(N(C)C)cn2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082511124	908039886	/nfs/dbraw/zinc/03/98/86/908039886.db2.gz	BADUPSXIHSGXOK-RDTXWAMCSA-N	1	0	364.453	1.665	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)o1	ZINC001082499096	908078460	/nfs/dbraw/zinc/07/84/60/908078460.db2.gz	OOTSOADMEFUNDA-CXAGYDPISA-N	1	0	369.425	1.460	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]CC(=O)N1CCCc2ccccc21	ZINC001082504949	908117623	/nfs/dbraw/zinc/11/76/23/908117623.db2.gz	YDIRBRLWMNISLW-VQIMIIECSA-N	1	0	365.477	1.816	20	30		FDEDRO
COc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3F)C2)ncn1	ZINC001082514764	908176540	/nfs/dbraw/zinc/17/65/40/908176540.db2.gz	BTAHVHGQERFXBC-SJKOYZFVSA-N	1	0	369.400	1.746	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(C#N)c1	ZINC000997336337	908210340	/nfs/dbraw/zinc/21/03/40/908210340.db2.gz	IKYPNDCNNHQCRW-OWSLCNJRSA-N	1	0	369.469	1.622	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC(=O)N2CCCC2)CC1	ZINC000997309403	908229716	/nfs/dbraw/zinc/22/97/16/908229716.db2.gz	QTZQNCBFMBKRAK-NXHRZFHOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1	ZINC000997348063	908279367	/nfs/dbraw/zinc/27/93/67/908279367.db2.gz	ICTHRXRUYOLNFF-MOXGXCLJSA-N	1	0	368.481	1.451	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC3(CC3)C2)CC1	ZINC000997356917	908302238	/nfs/dbraw/zinc/30/22/38/908302238.db2.gz	GUOGZKAEONWFNX-QYZOEREBSA-N	1	0	369.509	1.770	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CCOCC2)CC1	ZINC000997357298	908324869	/nfs/dbraw/zinc/32/48/69/908324869.db2.gz	JSDJQITWFSWSPP-QYZOEREBSA-N	1	0	373.497	1.006	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC23CC3)CC1	ZINC000997357687	908326342	/nfs/dbraw/zinc/32/63/42/908326342.db2.gz	NKODOGWTRTYRHV-BDXSIMOUSA-N	1	0	355.482	1.380	20	30		FDEDRO
C#Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)cn1	ZINC000765729533	908332245	/nfs/dbraw/zinc/33/22/45/908332245.db2.gz	LELGNDZTQLKKGY-UHFFFAOYSA-N	1	0	372.450	1.155	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3ccccc3C)C[C@H]2O)nn1	ZINC001077802601	908347479	/nfs/dbraw/zinc/34/74/79/908347479.db2.gz	PGMVZYGSOOKXFO-QGPMSJSTSA-N	1	0	355.442	1.309	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)CCc2ccnn2C)C[C@H]1C	ZINC001082539413	908359789	/nfs/dbraw/zinc/35/97/89/908359789.db2.gz	NIBXJDIIJZDSPT-BXUZGUMPSA-N	1	0	355.280	1.698	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc4occc4[nH]3)C[C@H]2C)C1=O	ZINC001082540116	908364717	/nfs/dbraw/zinc/36/47/17/908364717.db2.gz	FEENHPSAQUUONE-IVMMDQJWSA-N	1	0	356.426	1.598	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3c(C)[nH]nc3Cl)C[C@H]2C)C1=O	ZINC001082551682	908512222	/nfs/dbraw/zinc/51/22/22/908512222.db2.gz	XPPSLFYVANPTOG-KGYLQXTDSA-N	1	0	365.865	1.209	20	30		FDEDRO
CC[C@@]1(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)CCNC1=O	ZINC001082572233	908572020	/nfs/dbraw/zinc/57/20/20/908572020.db2.gz	TYZRHAGYNDDBGE-WIBUTAKZSA-N	1	0	354.454	1.411	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082556180	908577600	/nfs/dbraw/zinc/57/76/00/908577600.db2.gz	FSNLBSZGDYYKLO-SUYBPPKGSA-N	1	0	358.417	1.160	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001082568027	908707376	/nfs/dbraw/zinc/70/73/76/908707376.db2.gz	SVHZBEZGEFGSRJ-AHRSYUTCSA-N	1	0	350.466	1.592	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082569995	908723431	/nfs/dbraw/zinc/72/34/31/908723431.db2.gz	RBLPKWLZTZIVCX-OBQMCUGOSA-N	1	0	361.417	1.438	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cn(C)c(C)cc2=O)C[C@H]1C	ZINC001082577986	908754508	/nfs/dbraw/zinc/75/45/08/908754508.db2.gz	GHNIPDAODJFYKV-QMTHXVAHSA-N	1	0	368.275	1.652	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCN(C)C2=O)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082581229	908785644	/nfs/dbraw/zinc/78/56/44/908785644.db2.gz	CEHXIIPZAZIROP-DVOMOZLQSA-N	1	0	360.483	1.425	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(NC(N)=O)CCCCC1)C2	ZINC001112539608	908861979	/nfs/dbraw/zinc/86/19/79/908861979.db2.gz	JFMARGKXMOTKPD-LPHOPBHVSA-N	1	0	360.502	1.599	20	30		FDEDRO
CCOc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)[nH]n1	ZINC001082585351	908897517	/nfs/dbraw/zinc/89/75/17/908897517.db2.gz	BOCRTAVLNZOPNN-CXAGYDPISA-N	1	0	353.426	1.930	20	30		FDEDRO
C=CCOCCN1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](OC)C1	ZINC001212351109	908919048	/nfs/dbraw/zinc/91/90/48/908919048.db2.gz	UIYNKYXQZWYIFN-HZPDHXFCSA-N	1	0	367.515	1.441	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2c(CC)c(CC)n[nH]c2=O)[C@H](OC)C1	ZINC001212351162	908940298	/nfs/dbraw/zinc/94/02/98/908940298.db2.gz	WUGRVWWAUIAEPH-HZPDHXFCSA-N	1	0	362.474	1.702	20	30		FDEDRO
COCc1nn(C)cc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001082601991	908972561	/nfs/dbraw/zinc/97/25/61/908972561.db2.gz	IMGYZDZYONETTD-RDTXWAMCSA-N	1	0	367.453	1.688	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082632308	909186135	/nfs/dbraw/zinc/18/61/35/909186135.db2.gz	RIQWWXPSWLLIOY-IAQYHMDHSA-N	1	0	370.384	1.640	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC(=O)N(C)C)CC1	ZINC000997590243	909271405	/nfs/dbraw/zinc/27/14/05/909271405.db2.gz	VQAKFHXQMHXKJX-UAGQMJEPSA-N	1	0	351.491	1.273	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnc3nccn3c2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082644849	909299084	/nfs/dbraw/zinc/29/90/84/909299084.db2.gz	LORQSJMENYYXFI-RDTXWAMCSA-N	1	0	360.421	1.851	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)CC2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082665547	909453871	/nfs/dbraw/zinc/45/38/71/909453871.db2.gz	RUXPTKPUWJUYII-FHLIZLRMSA-N	1	0	354.454	1.411	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)COCc2ccc(C)cc2)[C@H](OC)C1	ZINC001212377371	909484536	/nfs/dbraw/zinc/48/45/36/909484536.db2.gz	IGLMDEACFCGRBQ-RTBURBONSA-N	1	0	362.470	1.530	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc(CCC)n[nH]3)C[C@H]2C)C1=O	ZINC001082676678	909542917	/nfs/dbraw/zinc/54/29/17/909542917.db2.gz	LEEHJEDSSMWPFE-UKPHBRMFSA-N	1	0	359.474	1.199	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn3cccnc23)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082678257	909560300	/nfs/dbraw/zinc/56/03/00/909560300.db2.gz	IXVPJJLYUVQXRE-RDTXWAMCSA-N	1	0	360.421	1.851	20	30		FDEDRO
C=C(Cl)CN1CCC([C@H](C)NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC000997751203	909606613	/nfs/dbraw/zinc/60/66/13/909606613.db2.gz	XGPILMLZJNHOIE-IMJJTQAJSA-N	1	0	371.909	1.591	20	30		FDEDRO
C[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC[NH+](CC#Cc2ccccc2)CC1	ZINC000997754833	909618019	/nfs/dbraw/zinc/61/80/19/909618019.db2.gz	SYERGAMINLCGLF-IPELMVKDSA-N	1	0	353.466	1.376	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc[nH]c3CCC)C[C@H]2C)C1=O	ZINC001082696424	909647401	/nfs/dbraw/zinc/64/74/01/909647401.db2.gz	JNKHRRCKNLRSSP-FHLIZLRMSA-N	1	0	358.486	1.804	20	30		FDEDRO
Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC001082697615	909655071	/nfs/dbraw/zinc/65/50/71/909655071.db2.gz	NMZWFWCJIUUTRY-BDJLRTHQSA-N	1	0	369.400	1.752	20	30		FDEDRO
C[C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082708306	909743407	/nfs/dbraw/zinc/74/34/07/909743407.db2.gz	JAFOYJGMRXAZQU-RDTXWAMCSA-N	1	0	353.426	1.307	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccccc2C#N)CC1	ZINC000997830840	909789154	/nfs/dbraw/zinc/78/91/54/909789154.db2.gz	BZBMDRVCFXFOAE-KXBFYZLASA-N	1	0	357.454	1.690	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082721961	909828079	/nfs/dbraw/zinc/82/80/79/909828079.db2.gz	QTLRDOWHWMGPFP-IAQYHMDHSA-N	1	0	357.389	1.387	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C(N)=O)co2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082734692	909901894	/nfs/dbraw/zinc/90/18/94/909901894.db2.gz	ULWRSRMDFAYQFM-BDJLRTHQSA-N	1	0	370.384	1.640	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)C[NH+]3CCC(C)CC3)[C@H](OC)C2)C1	ZINC000946430208	909999218	/nfs/dbraw/zinc/99/92/18/909999218.db2.gz	VCLFRWAJNNNVKK-IAGOWNOFSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cnc(C4CC4)nc3)C[C@H]2C)C1=O	ZINC001082786085	910157265	/nfs/dbraw/zinc/15/72/65/910157265.db2.gz	SKAGVXNSGYQXHQ-XOKHGSTOSA-N	1	0	369.469	1.191	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)n2nnnc2C(C)(C)C)[C@H](OC)C1	ZINC001212387008	910181287	/nfs/dbraw/zinc/18/12/87/910181287.db2.gz	NENJDJRZKDWDFK-RRFJBIMHSA-N	1	0	364.494	1.313	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=C)Br)C2)nn1	ZINC001082796168	910183700	/nfs/dbraw/zinc/18/37/00/910183700.db2.gz	VDXFKUDCSFQFHU-DGCLKSJQSA-N	1	0	368.279	1.813	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ncccc3C)C2)nn1	ZINC001082796244	910184066	/nfs/dbraw/zinc/18/40/66/910184066.db2.gz	YLQKBZUZHBIXGP-NVXWUHKLSA-N	1	0	354.458	1.808	20	30		FDEDRO
CCN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CCC[N@H+](CC#Cc2ccccc2)CC1	ZINC000998124427	910412868	/nfs/dbraw/zinc/41/28/68/910412868.db2.gz	FQGLAEMHECLOTA-ZCNNSNEGSA-N	1	0	367.493	1.863	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccn(C)c(=O)c3)C2)nc1	ZINC001082869241	910512780	/nfs/dbraw/zinc/51/27/80/910512780.db2.gz	ZFBVRQDDMYSWNL-RDTXWAMCSA-N	1	0	350.422	1.012	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@H](O)c3ccccc3F)C2)nc1	ZINC001082870241	910516994	/nfs/dbraw/zinc/51/69/94/910516994.db2.gz	JHRGGEWJUSSWBK-XMCHAPAWSA-N	1	0	367.424	1.986	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCn3nc(C)nc3C)C2)nc1	ZINC001082870184	910517403	/nfs/dbraw/zinc/51/74/03/910517403.db2.gz	GDWWKGMSHQUIID-FZKQIMNGSA-N	1	0	352.442	1.022	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(CO)ccc3F)C2)cn1	ZINC001082870640	910519698	/nfs/dbraw/zinc/51/96/98/910519698.db2.gz	FEJYHBVNEBRUJQ-JLTOFOAXSA-N	1	0	367.424	1.945	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082868537	910564314	/nfs/dbraw/zinc/56/43/14/910564314.db2.gz	GMDITJILIFXRPL-FZKQIMNGSA-N	1	0	368.412	1.646	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)Cc3ccc(F)cc3)C[C@H]2C)C1=O	ZINC001082893573	910747085	/nfs/dbraw/zinc/74/70/85/910747085.db2.gz	LEGLKIYRLKSNBX-ZTFGCOKTSA-N	1	0	359.445	1.592	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCS2(=O)=O)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082932080	910977690	/nfs/dbraw/zinc/97/76/90/910977690.db2.gz	WXKCZRBRRYNNOH-KBRIMQKVSA-N	1	0	361.467	1.072	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCS2(=O)=O)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082932077	910977726	/nfs/dbraw/zinc/97/77/26/910977726.db2.gz	WTSQOXALPRPDLN-KCPJHIHWSA-N	1	0	367.496	1.133	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cnn(C)c2)C[C@H]1C	ZINC001082968629	911193379	/nfs/dbraw/zinc/19/33/79/911193379.db2.gz	HEJKCPHHPLUZPI-MPKXVKKWSA-N	1	0	355.280	1.869	20	30		FDEDRO
C=CCN1CC[C@H](N(C)CC[C@@H](C)[N@H+](C)[C@H]2CCN(CC=C)C2=O)C1=O	ZINC000281488855	911263173	/nfs/dbraw/zinc/26/31/73/911263173.db2.gz	XCYSLXNEMUWJTF-SQNIBIBYSA-N	1	0	362.518	1.202	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cc3ccccc3c(=O)[nH]2)[C@H](OC)C1	ZINC001212405740	911335656	/nfs/dbraw/zinc/33/56/56/911335656.db2.gz	AUYQGUHBBZKBMC-QZTJIDSGSA-N	1	0	371.437	1.572	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ccccc3C#N)C2)C1	ZINC000998786156	911665424	/nfs/dbraw/zinc/66/54/24/911665424.db2.gz	RRMIJPOUGHSCKB-HELAGCTPSA-N	1	0	354.454	1.552	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nnc(C)n2CC)C1	ZINC000998787508	911672370	/nfs/dbraw/zinc/67/23/70/911672370.db2.gz	HUTJZMNWXNUHAT-BACDZXNISA-N	1	0	361.490	1.667	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CCC[N@H+]2C)nc1	ZINC000998947842	911893969	/nfs/dbraw/zinc/89/39/69/911893969.db2.gz	GNJAFBHSLYRLPF-LAVFITLUSA-N	1	0	352.438	1.019	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@H+]2CC[C@@H](C)C2)cn1	ZINC000998955093	911923801	/nfs/dbraw/zinc/92/38/01/911923801.db2.gz	UQVBCLAHEBYSDF-OAOYMFHYSA-N	1	0	366.465	1.266	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCn4cc(C)nc4C3)[C@H]2C1	ZINC001083120499	911930990	/nfs/dbraw/zinc/93/09/90/911930990.db2.gz	PPZOBTHRJJZYDK-OKZBNKHCSA-N	1	0	358.486	1.632	20	30		FDEDRO
O=C(C#CC1CC1)N1CCO[C@@H]2C[N@H+](CCc3ccc4c(c3)CCO4)C[C@@H]21	ZINC001083077732	911936548	/nfs/dbraw/zinc/93/65/48/911936548.db2.gz	WPAKGXSZEPNQNY-PZJWPPBQSA-N	1	0	366.461	1.489	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4cccn4)cc3)[C@H]2C1	ZINC001083105551	912042000	/nfs/dbraw/zinc/04/20/00/912042000.db2.gz	GLODSRYUTJOSLX-RBUKOAKNSA-N	1	0	350.422	1.421	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)CCn3c(C)csc3=O)[C@H]2C1	ZINC001083105730	912043617	/nfs/dbraw/zinc/04/36/17/912043617.db2.gz	PTKMHHCTOMBVDX-LSDHHAIUSA-N	1	0	351.472	1.096	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc4c(cn3)OCCO4)[C@H]2C1	ZINC001083107846	912057074	/nfs/dbraw/zinc/05/70/74/912057074.db2.gz	AUFBAPMZAHGSMH-MAUKXSAKSA-N	1	0	359.426	1.344	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C(F)(F)F)ncn3)[C@H]2C1	ZINC001083141132	912154441	/nfs/dbraw/zinc/15/44/41/912154441.db2.gz	PJGVXWQEYHQZRK-UONOGXRCSA-N	1	0	370.375	1.987	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2snnc2C)C1	ZINC000999183995	912193060	/nfs/dbraw/zinc/19/30/60/912193060.db2.gz	YEQFXRGVJRDUIZ-ZNMIVQPWSA-N	1	0	350.488	1.908	20	30		FDEDRO
CN1C(=O)CC[C@H]1CC(=O)N1C[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001084570700	915417001	/nfs/dbraw/zinc/41/70/01/915417001.db2.gz	PJOHASJEZNAZIH-CEXWTWQISA-N	1	0	366.465	1.602	20	30		FDEDRO
CN1C(=O)CC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001084584931	915494495	/nfs/dbraw/zinc/49/44/95/915494495.db2.gz	NNNAIAQQPKZNFV-FGTMMUONSA-N	1	0	352.438	1.212	20	30		FDEDRO
C=C(Br)CN1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1	ZINC001084661928	915955257	/nfs/dbraw/zinc/95/52/57/915955257.db2.gz	OHBCHYICZSLRCW-NWANDNLSSA-N	1	0	356.308	1.770	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(NC(=O)OC)c2)CC1	ZINC000730070357	916074507	/nfs/dbraw/zinc/07/45/07/916074507.db2.gz	WARSQLVBMNMTMN-UHFFFAOYSA-N	1	0	374.441	1.960	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3CC[N@@H+](C[C@@H]4CC(C)(C)CO4)C[C@H]32)nn1	ZINC001084708545	916392190	/nfs/dbraw/zinc/39/21/90/916392190.db2.gz	IQTBJEYJMKOWJX-HLLBOEOZSA-N	1	0	359.474	1.426	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(CO)cc4)C[C@H]32)nn1	ZINC001084709403	916399748	/nfs/dbraw/zinc/39/97/48/916399748.db2.gz	ZQKJVBHOXPDHGZ-IEBWSBKVSA-N	1	0	367.453	1.303	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCc3cnn(C)c3)C[C@H]21	ZINC001084715471	916499496	/nfs/dbraw/zinc/49/94/96/916499496.db2.gz	HPZKCKVLVUBHER-HCXYKTFWSA-N	1	0	358.486	1.477	20	30		FDEDRO
Cn1cccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)c1=O	ZINC001084783031	917115694	/nfs/dbraw/zinc/11/56/94/917115694.db2.gz	VIQFKLPCGJICMI-IEBWSBKVSA-N	1	0	362.433	1.603	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CCN4CCCC4=O)[C@@H]3C2)cc1	ZINC001084836307	917568422	/nfs/dbraw/zinc/56/84/22/917568422.db2.gz	VEXPIXFEOOWFNT-RTBURBONSA-N	1	0	366.465	1.603	20	30		FDEDRO
CCN1CCO[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1	ZINC001084844427	917614278	/nfs/dbraw/zinc/61/42/78/917614278.db2.gz	SPXIFAVEJKYCRB-AQNXPRMDSA-N	1	0	368.481	1.312	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4nc(CC)no4)C[C@H]32)CC1	ZINC001084851338	917660952	/nfs/dbraw/zinc/66/09/52/917660952.db2.gz	XUMDMUSYWKVOSO-IAGOWNOFSA-N	1	0	371.485	1.010	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ccoc4C)C[C@@H]32)C1=O	ZINC001084886316	917995863	/nfs/dbraw/zinc/99/58/63/917995863.db2.gz	AKVWPXGFBZEKTE-SZMVWBNQSA-N	1	0	357.454	1.911	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)CN4CCCC4=O)C[C@@H]32)c1	ZINC001084887946	918002318	/nfs/dbraw/zinc/00/23/18/918002318.db2.gz	KQUUWBJPNWNGGJ-MOPGFXCFSA-N	1	0	366.465	1.603	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4COCCO4)C[C@@H]32)c1	ZINC001084894659	918075073	/nfs/dbraw/zinc/07/50/73/918075073.db2.gz	QJKGFFQSOYTLRE-CEXWTWQISA-N	1	0	355.438	1.396	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)C4=COCCC4)C[C@@H]32)C1=O	ZINC001084903754	918148001	/nfs/dbraw/zinc/14/80/01/918148001.db2.gz	PAUBXHLKVCRCNQ-JQHSSLGASA-N	1	0	359.470	1.390	20	30		FDEDRO
CNC(=O)c1cccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@H](C)C#N)C[C@@H]32)c1	ZINC001084906976	918174051	/nfs/dbraw/zinc/17/40/51/918174051.db2.gz	OWOXJUBXXPZMSA-KYJSFNMBSA-N	1	0	354.454	1.629	20	30		FDEDRO
O=C([C@H]1CCC(=O)N1)N1CC[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)[C@H]2C1	ZINC001084904814	918189014	/nfs/dbraw/zinc/18/90/14/918189014.db2.gz	DECLEXRKNBJBHJ-QRQLOZEOSA-N	1	0	369.440	1.379	20	30		FDEDRO
C#CCN(C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)C1CCCCC1	ZINC000731543294	918216780	/nfs/dbraw/zinc/21/67/80/918216780.db2.gz	INGJMRCJBSEHQU-UHFFFAOYSA-N	1	0	362.518	1.907	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cnccc4C)C[C@@H]32)C1=O	ZINC001084911587	918253061	/nfs/dbraw/zinc/25/30/61/918253061.db2.gz	NPJYEINEBXOAAH-UHOSZYNNSA-N	1	0	368.481	1.713	20	30		FDEDRO
Cc1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)ncn1	ZINC001084915370	918284069	/nfs/dbraw/zinc/28/40/69/918284069.db2.gz	VYYVGQFWDWRGOG-QAPCUYQASA-N	1	0	350.426	1.721	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)CCc4ccoc4)C[C@@H]32)C1=O	ZINC001084918199	918301252	/nfs/dbraw/zinc/30/12/52/918301252.db2.gz	MDWKVAMCUWMMLX-FHWLQOOXSA-N	1	0	371.481	1.922	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)CCn4ccnn4)C[C@@H]32)s1	ZINC001084928820	918377738	/nfs/dbraw/zinc/37/77/38/918377738.db2.gz	KPOPONYFKQLFEX-PBHICJAKSA-N	1	0	370.482	1.724	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4coc(C)n4)C[C@@H]32)C1=O	ZINC001084927312	918410985	/nfs/dbraw/zinc/41/09/85/918410985.db2.gz	GWLFWGIQBVYHLK-UAGQMJEPSA-N	1	0	358.442	1.306	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)C[C@@H]21	ZINC001084938738	918593368	/nfs/dbraw/zinc/59/33/68/918593368.db2.gz	CRTBRFPYZKROFD-NUJGCVRESA-N	1	0	371.485	1.652	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)C[C@@H]21	ZINC001084938794	918595222	/nfs/dbraw/zinc/59/52/22/918595222.db2.gz	GERLRDOXHAGZLB-INMHGKMJSA-N	1	0	357.458	1.262	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CN(c4ccccn4)C[C@H]3C)C[C@@H]21	ZINC001084942193	918637260	/nfs/dbraw/zinc/63/72/60/918637260.db2.gz	HFQNVHIKGQSUDT-MKXGPGLRSA-N	1	0	352.482	1.710	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(C(F)(F)F)nn3C)C[C@@H]21	ZINC001084948200	918709392	/nfs/dbraw/zinc/70/93/92/918709392.db2.gz	PYWSKFGHBZZWME-OCCSQVGLSA-N	1	0	354.376	1.999	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn(-c4cccnc4)nn3)C[C@@H]21	ZINC001084954250	918762462	/nfs/dbraw/zinc/76/24/62/918762462.db2.gz	XNFLMRYLLSYNMV-QAPCUYQASA-N	1	0	352.442	1.775	20	30		FDEDRO
C=CCc1cc(C=NNC(=S)NCCC[NH+](C)C)cc(OC)c1O	ZINC000731928035	918846163	/nfs/dbraw/zinc/84/61/63/918846163.db2.gz	BNUPSYCFNXUPIX-UHFFFAOYSA-N	1	0	350.488	1.879	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3conc3C)[C@H]2C1	ZINC001084960988	918906370	/nfs/dbraw/zinc/90/63/70/918906370.db2.gz	DGCFSPYXUDVKHE-NEWSRXKRSA-N	1	0	356.470	1.503	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)c4cn[nH]c(=O)c4)C[C@@H]32)s1	ZINC001084965697	918933873	/nfs/dbraw/zinc/93/38/73/918933873.db2.gz	LRBUZCOKVCDTFQ-WBMJQRKESA-N	1	0	369.450	1.852	20	30		FDEDRO
C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CCCC3(CCCCC3)C2)c1=O	ZINC000732190788	919168466	/nfs/dbraw/zinc/16/84/66/919168466.db2.gz	MCGCKTVQWIGCQQ-UHFFFAOYSA-N	1	0	374.485	1.548	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(OC)cc3)C[C@@H]21	ZINC001084982685	919184219	/nfs/dbraw/zinc/18/42/19/919184219.db2.gz	BIPIQHFKPNFVPN-QAPCUYQASA-N	1	0	355.438	1.580	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1	ZINC000732207040	919203102	/nfs/dbraw/zinc/20/31/02/919203102.db2.gz	MRDAKBUCMCKARA-HIFRSBDPSA-N	1	0	363.421	1.682	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)C[C@@H]21	ZINC001084997618	919439778	/nfs/dbraw/zinc/43/97/78/919439778.db2.gz	LRQDIRCTGWHQIE-PBHICJAKSA-N	1	0	355.442	1.444	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CCN3CCCS3(=O)=O)[C@H]2C1	ZINC001085006442	919570206	/nfs/dbraw/zinc/57/02/06/919570206.db2.gz	XZBUWSWZYYCOLM-CVEARBPZSA-N	1	0	369.531	1.157	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)cc1	ZINC000732412514	919581817	/nfs/dbraw/zinc/58/18/17/919581817.db2.gz	HPODWBHZJXBHGC-RTBURBONSA-N	1	0	371.481	1.969	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCOCC3)[C@H]2C1	ZINC001085023925	919791597	/nfs/dbraw/zinc/79/15/97/919791597.db2.gz	FMNMTIURYLHGPR-FUHIMQAGSA-N	1	0	363.502	1.370	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)CCc4cn[nH]n4)C[C@@H]32)s1	ZINC001085036929	919952354	/nfs/dbraw/zinc/95/23/54/919952354.db2.gz	SXTQTNRYTHIIDE-DYVFJYSZSA-N	1	0	370.482	1.793	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)Cc4nnc[nH]4)C[C@@H]32)c(F)c1	ZINC001085071478	920475310	/nfs/dbraw/zinc/47/53/10/920475310.db2.gz	OAFBTPKUCBJDKP-PBHICJAKSA-N	1	0	368.416	1.481	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H]2CC[N@H+](CCn3cncn3)[C@H]2C1	ZINC001085083095	920648824	/nfs/dbraw/zinc/64/88/24/920648824.db2.gz	YOVCUBKTIMDYIJ-QUCCMNQESA-N	1	0	363.465	1.425	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3nc4nccc(C)n4n3)C[C@@H]21	ZINC001085087255	920727749	/nfs/dbraw/zinc/72/77/49/920727749.db2.gz	GFJCFHSNLHSFDV-CVEARBPZSA-N	1	0	354.458	1.935	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3-n3cnnn3)C[C@@H]21	ZINC001085091046	920777792	/nfs/dbraw/zinc/77/77/92/920777792.db2.gz	ZLULHNFQTWDIDW-QAPCUYQASA-N	1	0	350.426	1.222	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccnc(-n4cncn4)c3)C[C@@H]21	ZINC001085106137	920981548	/nfs/dbraw/zinc/98/15/48/920981548.db2.gz	UFIFMSCSJPQBJF-WBVHZDCISA-N	1	0	352.442	1.775	20	30		FDEDRO
C#CCOc1ccc(C[NH2+]C2CCN(CCS(C)(=O)=O)CC2)cc1	ZINC000733327802	920982652	/nfs/dbraw/zinc/98/26/52/920982652.db2.gz	HKMWRYQQNLTKIJ-UHFFFAOYSA-N	1	0	350.484	1.297	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4[nH]c(=O)n(C)c4c3)C[C@@H]21	ZINC001085108417	921014461	/nfs/dbraw/zinc/01/44/61/921014461.db2.gz	FTYICFAYMUKFLS-KDOFPFPSSA-N	1	0	352.438	1.839	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2COC(=O)N2)c(F)c1	ZINC001085187459	922076322	/nfs/dbraw/zinc/07/63/22/922076322.db2.gz	IGWZWGXRUBFWLS-BZUAXINKSA-N	1	0	360.389	1.323	20	30		FDEDRO
CCc1nc(C#N)cc(NC[C@@]2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001065502852	922332644	/nfs/dbraw/zinc/33/26/44/922332644.db2.gz	KGUDHKCIJLACJT-AKCHCHLHSA-N	1	0	370.501	1.901	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CCN3c2ncccc2C#N)CC[N@@H+]1C	ZINC001066198648	922590244	/nfs/dbraw/zinc/59/02/44/922590244.db2.gz	OXOISLWKVSJCAH-NRSFXHEJSA-N	1	0	353.470	1.863	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3c2ccc(C#N)nn2)CC[N@@H+]1C	ZINC001066201640	922620617	/nfs/dbraw/zinc/62/06/17/922620617.db2.gz	FGZCHANODQYLAM-MHORFTMASA-N	1	0	368.485	1.648	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CCN3c2nccnc2C#N)CC[N@@H+]1C	ZINC001066201930	922621010	/nfs/dbraw/zinc/62/10/10/922621010.db2.gz	HTJNQTUKWHQGCG-TXCZRRACSA-N	1	0	354.458	1.258	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3c2ccnc(C#N)n2)CC[N@@H+]1C	ZINC001066202335	922622041	/nfs/dbraw/zinc/62/20/41/922622041.db2.gz	KIEUCTRCCVSEFX-YLFCFFPRSA-N	1	0	368.485	1.648	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccnn1C	ZINC001085201595	922662344	/nfs/dbraw/zinc/66/23/44/922662344.db2.gz	ORJUDBSWUFULEI-MKXGPGLRSA-N	1	0	360.502	1.961	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCC(=O)NC1	ZINC001085222723	922927766	/nfs/dbraw/zinc/92/77/66/922927766.db2.gz	HHIWRUPTAOOGOX-ATZDWAIDSA-N	1	0	368.481	1.992	20	30		FDEDRO
C[C@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)s2)CNC(=O)C1	ZINC001085283684	923506853	/nfs/dbraw/zinc/50/68/53/923506853.db2.gz	XWCKIMPKVAQMDT-IIDMSEBBSA-N	1	0	360.483	1.663	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCNC2=O)c1	ZINC001085296576	923619032	/nfs/dbraw/zinc/61/90/32/923619032.db2.gz	ICZCUTWKBMDJJD-DJIMGWMZSA-N	1	0	358.417	1.350	20	30		FDEDRO
C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)s2)CCNC1=O	ZINC001085330312	923926369	/nfs/dbraw/zinc/92/63/69/923926369.db2.gz	ZSASJCPPFOSPBT-IIDMSEBBSA-N	1	0	360.483	1.663	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(C(N)=O)[nH]2)s1	ZINC001085333714	923964139	/nfs/dbraw/zinc/96/41/39/923964139.db2.gz	DYHNJMLENCJAQK-ZIAGYGMSSA-N	1	0	371.466	1.878	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2nnnn2CC1	ZINC001085339670	924033356	/nfs/dbraw/zinc/03/33/56/924033356.db2.gz	ZDCASVUKHQMGGB-MGPQQGTHSA-N	1	0	352.870	1.395	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCc2cnn(C)c2)nn1	ZINC001085358450	924169856	/nfs/dbraw/zinc/16/98/56/924169856.db2.gz	BVIIGIKDDPGXHZ-IAGOWNOFSA-N	1	0	371.489	1.461	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cn2nc(C)cc2[nH]c1=O	ZINC001085363772	924242203	/nfs/dbraw/zinc/24/22/03/924242203.db2.gz	WBFRHORVVGCGPV-ZIAGYGMSSA-N	1	0	363.849	1.714	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C2CC(=O)NC(=O)C2)cc1	ZINC001085362466	924256957	/nfs/dbraw/zinc/25/69/57/924256957.db2.gz	DIGTUQXIIBWIPC-IAGOWNOFSA-N	1	0	368.437	1.128	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1nc[nH]n1	ZINC001085387217	924379097	/nfs/dbraw/zinc/37/90/97/924379097.db2.gz	FDDATYBBJNBNKV-HZPDHXFCSA-N	1	0	356.405	1.575	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccn(C)c1=O	ZINC001085398052	924445870	/nfs/dbraw/zinc/44/58/70/924445870.db2.gz	KSAVVDDHNSRVNL-ZIAGYGMSSA-N	1	0	368.275	1.925	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(OC)no2)nc1	ZINC001085398631	924448370	/nfs/dbraw/zinc/44/83/70/924448370.db2.gz	QHILPTZOVBOUHB-HZPDHXFCSA-N	1	0	354.410	1.890	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cncc(OC)n2)nc1	ZINC001085398447	924448457	/nfs/dbraw/zinc/44/84/57/924448457.db2.gz	HUNIHLIWIZKWKQ-IAGOWNOFSA-N	1	0	365.437	1.692	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCCN(C)C2=O)cn1	ZINC001085399240	924452041	/nfs/dbraw/zinc/45/20/41/924452041.db2.gz	YKOIFEUJQVAKQG-KURKYZTESA-N	1	0	354.454	1.314	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cncn1	ZINC001085414355	924559738	/nfs/dbraw/zinc/55/97/38/924559738.db2.gz	PWRHSRLSVGAIAZ-IAGOWNOFSA-N	1	0	368.441	1.376	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H](C)C(N)=O)cc1	ZINC001085434603	924700132	/nfs/dbraw/zinc/70/01/32/924700132.db2.gz	VFUDOPVWKGEFLZ-BMGDILEWSA-N	1	0	359.470	1.685	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCN1CCCC1=O	ZINC001085601566	924948673	/nfs/dbraw/zinc/94/86/73/924948673.db2.gz	AEJGYOQARHRJPQ-KSZLIROESA-N	1	0	363.502	1.513	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CSCN2C(=O)[C@H](C)CC)CC1	ZINC000740738066	925421749	/nfs/dbraw/zinc/42/17/49/925421749.db2.gz	SNXVHVWBNDOQKC-ZBFHGGJFSA-N	1	0	351.516	1.538	20	30		FDEDRO
CCN(CC)S(=O)(=O)c1ccc(N=NC2CC[N@H+](C)[C@@H](C)C2)nc1	ZINC000741455019	925779179	/nfs/dbraw/zinc/77/91/79/925779179.db2.gz	IFKDAPMFKJQBBR-ZDUSSCGKSA-N	1	0	353.492	1.994	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)C1=O	ZINC001086151951	926160230	/nfs/dbraw/zinc/16/02/30/926160230.db2.gz	PAUJNWXBPZOODS-MCEUPANISA-N	1	0	361.486	1.073	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@H]2CCc3ncnn32)C1	ZINC001086223295	926353391	/nfs/dbraw/zinc/35/33/91/926353391.db2.gz	JNGWYWFTKIFNFM-OCABDXPQSA-N	1	0	359.474	1.231	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CCN2C(=O)CCc3ccccc32)CC1	ZINC000743488946	926377270	/nfs/dbraw/zinc/37/72/70/926377270.db2.gz	AMOFWEDVCDQQGR-UHFFFAOYSA-N	1	0	353.466	1.960	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1	ZINC000743490835	926378091	/nfs/dbraw/zinc/37/80/91/926378091.db2.gz	WQCGXTHAUGQTQD-IEBWSBKVSA-N	1	0	354.454	1.205	20	30		FDEDRO
COC(=O)CC[N@H+](CC(=O)NCc1ccc(C#N)cc1)C1CCOCC1	ZINC000743871391	926482220	/nfs/dbraw/zinc/48/22/20/926482220.db2.gz	ARAAIWIANXTPQY-UHFFFAOYSA-N	1	0	359.426	1.219	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC1CC[NH+](CCC)CC1	ZINC000743918074	926494903	/nfs/dbraw/zinc/49/49/03/926494903.db2.gz	WWKXAELVBVGJIY-UHFFFAOYSA-N	1	0	361.417	1.767	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1	ZINC000743947724	926523772	/nfs/dbraw/zinc/52/37/72/926523772.db2.gz	TZGXAJNDKZODDU-QGZVFWFLSA-N	1	0	356.426	1.256	20	30		FDEDRO
COC(=O)CC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CCOCC1	ZINC000744427800	926678397	/nfs/dbraw/zinc/67/83/97/926678397.db2.gz	ZQUBJBHGBDXXIU-UHFFFAOYSA-N	1	0	359.426	1.931	20	30		FDEDRO
C=CCOCC[N@@H+](CCO)C1CCN(C(=O)[C@]23CCC[C@H]2OCC3)CC1	ZINC001098426129	926720845	/nfs/dbraw/zinc/72/08/45/926720845.db2.gz	YPDJGJSXXKKNIA-QUCCMNQESA-N	1	0	366.502	1.434	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2COCCN2c2ccc(C#N)nc2)CC[N@@H+]1C	ZINC001066525883	927135042	/nfs/dbraw/zinc/13/50/42/927135042.db2.gz	CRJIPINOAYZYQK-OKZBNKHCSA-N	1	0	357.458	1.005	20	30		FDEDRO
N#CCn1cc(NC(=O)C(=O)NCc2ccccc2C[NH+]2CCCC2)cn1	ZINC000746353448	927901490	/nfs/dbraw/zinc/90/14/90/927901490.db2.gz	GZOZQUOIIOUCPC-UHFFFAOYSA-N	1	0	366.425	1.257	20	30		FDEDRO
CC(C)CC[NH+]1CCC(CNC(=O)C(=O)Nc2cnn(CC#N)c2)CC1	ZINC000746436759	928003580	/nfs/dbraw/zinc/00/35/80/928003580.db2.gz	QEFVRWMFXXIVBZ-UHFFFAOYSA-N	1	0	360.462	1.219	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2cnn(CC#N)c2)C[N@@H+]1Cc1ccccc1	ZINC000746436595	928004590	/nfs/dbraw/zinc/00/45/90/928004590.db2.gz	WMZVUUFCZWTCKL-HOCLYGCPSA-N	1	0	366.425	1.124	20	30		FDEDRO
COc1ccc(CN2CC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NO)CC2=O)cc1	ZINC001168919668	928183395	/nfs/dbraw/zinc/18/33/95/928183395.db2.gz	HNUNGLDLPOMKHQ-RDJZCZTQSA-N	1	0	363.458	1.696	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cn1cc2c(c(C#N)c1=O)CCC2	ZINC000766630864	928363048	/nfs/dbraw/zinc/36/30/48/928363048.db2.gz	BEWRVUYRYDWOLY-MNEFBYGVSA-N	1	0	356.470	1.350	20	30		FDEDRO
C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H]1CC[C@@H](C(=O)OCC)OC1)C2	ZINC001169389493	928532513	/nfs/dbraw/zinc/53/25/13/928532513.db2.gz	FAXPTGCNUMOAPM-LSTDLKDCSA-N	1	0	353.459	1.923	20	30		FDEDRO
C=CCN1CC[C@]2(CCC[N@@H+]([C@H]3CC[C@H](C(=O)OCC)OC3)C2)C1=O	ZINC001169389874	928533830	/nfs/dbraw/zinc/53/38/30/928533830.db2.gz	TXVINJZTJIVTHT-FCEWJHQRSA-N	1	0	350.459	1.598	20	30		FDEDRO
CC(=O)N1CC[C@H]([NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)C1	ZINC001169562470	928741643	/nfs/dbraw/zinc/74/16/43/928741643.db2.gz	DITSUKINFIYGMZ-SFHVURJKSA-N	1	0	355.442	1.765	20	30		FDEDRO
C=CC[C@@H](Nc1ccc(S(=O)(=O)NC2CC[NH2+]CC2)cc1)C(=O)OC	ZINC001169845272	928928824	/nfs/dbraw/zinc/92/88/24/928928824.db2.gz	UHWXZPYMWHBODM-MRXNPFEDSA-N	1	0	367.471	1.247	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2	ZINC001109565335	929788359	/nfs/dbraw/zinc/78/83/59/929788359.db2.gz	LFOPRRLQBIYKMV-BDXSIMOUSA-N	1	0	374.529	1.110	20	30		FDEDRO
C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC[NH+]1CCCCC1	ZINC000770404807	930002390	/nfs/dbraw/zinc/00/23/90/930002390.db2.gz	QSIJJCXMKWMCNX-CQSZACIVSA-N	1	0	365.455	1.254	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CCC(C)C)nn1)C2	ZINC001109712908	930216506	/nfs/dbraw/zinc/21/65/06/930216506.db2.gz	KRQIBIPYVJPNLL-RYRKJORJSA-N	1	0	361.490	1.862	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)CN1C(=O)NC2(CCCCC2)C1=O	ZINC000770803870	930266243	/nfs/dbraw/zinc/26/62/43/930266243.db2.gz	VYGPVDLTYGFREF-OAHLLOKOSA-N	1	0	363.458	1.518	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)C2	ZINC001109810755	930507366	/nfs/dbraw/zinc/50/73/66/930507366.db2.gz	AZPAEUTZNIBYJZ-KBXIAJHMSA-N	1	0	357.520	1.390	20	30		FDEDRO
C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCC(=O)N(C)CCC#N	ZINC000771457003	930661365	/nfs/dbraw/zinc/66/13/65/930661365.db2.gz	ISAYATZOCZLRNZ-GJZGRUSLSA-N	1	0	352.479	1.984	20	30		FDEDRO
CON=Cc1ccc(-c2nc(CC(=O)N3CCC([NH+](C)C)CC3)no2)cc1	ZINC000771471236	930682831	/nfs/dbraw/zinc/68/28/31/930682831.db2.gz	DJXRTVQRBIAHQV-UHFFFAOYSA-N	1	0	371.441	1.812	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C2	ZINC001109986546	930973080	/nfs/dbraw/zinc/97/30/80/930973080.db2.gz	ZZLBJZIDMGUDPO-DEICHXMPSA-N	1	0	371.485	1.173	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)NCc2cc(F)cc(F)c2)CC1	ZINC000772111021	931079872	/nfs/dbraw/zinc/07/98/72/931079872.db2.gz	YTZIVTRTAYFKEY-UHFFFAOYSA-N	1	0	350.365	1.469	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2ccccc2C(=O)OCC)CC1	ZINC000772113474	931081213	/nfs/dbraw/zinc/08/12/13/931081213.db2.gz	GKWQAOZTLVCCNB-UHFFFAOYSA-N	1	0	372.421	1.690	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)NC2C3CC4CC(C3)CC2C4)CC1	ZINC000772114295	931082164	/nfs/dbraw/zinc/08/21/64/931082164.db2.gz	ZNDQKSGANJZRGU-UHFFFAOYSA-N	1	0	358.482	1.816	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc3nncn3c1)C2	ZINC001112544954	931425246	/nfs/dbraw/zinc/42/52/46/931425246.db2.gz	GAQRKDFBTQGQFN-PXNSSMCTSA-N	1	0	367.453	1.211	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O)C2	ZINC001112550913	931461578	/nfs/dbraw/zinc/46/15/78/931461578.db2.gz	WHDPOHQCACMZRM-LIRRHRJNSA-N	1	0	360.458	1.533	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1nc3ncccn3n1)C2	ZINC001112549363	931514214	/nfs/dbraw/zinc/51/42/14/931514214.db2.gz	UCJQRBVGELKSAI-GUYCJALGSA-N	1	0	360.849	1.709	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccoc1CCC)C2	ZINC001112562743	931595728	/nfs/dbraw/zinc/59/57/28/931595728.db2.gz	MGNJGNJXVPDOHS-KKSFZXQISA-N	1	0	371.481	1.813	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2	ZINC001112562724	931595776	/nfs/dbraw/zinc/59/57/76/931595776.db2.gz	KQVCVMBFHDPHHX-LIRRHRJNSA-N	1	0	370.457	1.216	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccccc1C(=O)N(C)C)C2	ZINC001112564578	931608707	/nfs/dbraw/zinc/60/87/07/931608707.db2.gz	CVOWTBLHBMUBAW-KKSFZXQISA-N	1	0	353.466	1.854	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CS(=O)(=O)N(C)C)C2	ZINC001112571926	931651323	/nfs/dbraw/zinc/65/13/23/931651323.db2.gz	VGUMRRLRBFOSCO-BQFCYCMXSA-N	1	0	371.547	1.451	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(C(N)=O)cc1)C2	ZINC001112577559	931693491	/nfs/dbraw/zinc/69/34/91/931693491.db2.gz	SUCVZHQVBNXXTQ-RXVVDRJESA-N	1	0	371.481	1.820	20	30		FDEDRO
O=C(Cn1cncn1)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#Cc2ccccc2)C1	ZINC001112575334	931703743	/nfs/dbraw/zinc/70/37/43/931703743.db2.gz	DEZIPKMJUZMCSN-FPOVZHCZSA-N	1	0	363.465	1.548	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)CCNC(N)=O)C3)cc1	ZINC001112575779	931706639	/nfs/dbraw/zinc/70/66/39/931706639.db2.gz	CIZLFAPOVXKYRQ-PXNSSMCTSA-N	1	0	369.469	1.335	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc(-n3cnnn3)c1)C2	ZINC001112576649	931714302	/nfs/dbraw/zinc/71/43/02/931714302.db2.gz	ZRQINDQOTDQKAB-PXNSSMCTSA-N	1	0	364.453	1.518	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCS(=O)(=O)N(C)C)C2	ZINC001112583723	931757632	/nfs/dbraw/zinc/75/76/32/931757632.db2.gz	GYRHSEBUKQGKQR-RDJZCZTQSA-N	1	0	357.520	1.062	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(C)nc1C)C2	ZINC001112583770	931757678	/nfs/dbraw/zinc/75/76/78/931757678.db2.gz	IWLWVMDJLRNKKY-UWJYYQICSA-N	1	0	370.497	1.833	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCn1cccc1)C2	ZINC001112583789	931757792	/nfs/dbraw/zinc/75/77/92/931757792.db2.gz	JPYKKQFEBAQLGC-RXVVDRJESA-N	1	0	370.497	1.236	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1ccc(C(N)=O)cc1)C2	ZINC001112587970	931792634	/nfs/dbraw/zinc/79/26/34/931792634.db2.gz	AJQMHHRGEFDJLZ-RXVVDRJESA-N	1	0	353.466	1.570	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(C)CC)C1	ZINC001112588484	931797470	/nfs/dbraw/zinc/79/74/70/931797470.db2.gz	BBGYKPFBKXQALM-LPHOPBHVSA-N	1	0	351.491	1.276	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nncs2)C1	ZINC001112588978	931801251	/nfs/dbraw/zinc/80/12/51/931801251.db2.gz	FGQLOAHYDAKXLO-YOEHRIQHSA-N	1	0	350.488	1.849	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)C(=O)NCCC)C1	ZINC001112588962	931801432	/nfs/dbraw/zinc/80/14/32/931801432.db2.gz	FBPOQIZXQPDSNJ-UWVAXJGDSA-N	1	0	365.518	1.712	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C(N)=O)ccn1)C2	ZINC001112594435	931873259	/nfs/dbraw/zinc/87/32/59/931873259.db2.gz	VNASJKJSWZQHAD-JXFKEZNVSA-N	1	0	356.470	1.979	20	30		FDEDRO
C[C@H]1[C@@H](C(=O)NC2(C#N)CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C	ZINC000786642743	931990149	/nfs/dbraw/zinc/99/01/49/931990149.db2.gz	PLOVRKMHRULVIW-KBPBESRZSA-N	1	0	350.463	1.736	20	30		FDEDRO
FC(F)(F)CNC(=S)NN=C1CCOC[C@@H]1C[NH+]1CCCCC1	ZINC000787153982	932199283	/nfs/dbraw/zinc/19/92/83/932199283.db2.gz	SNQVDRLSQRZSSZ-NSHDSACASA-N	1	0	352.426	1.891	20	30		FDEDRO
Cc1c(C#N)ccnc1N(CC[NH3+])S(=O)(=O)c1cccc2cnccc21	ZINC001170071030	932232962	/nfs/dbraw/zinc/23/29/62/932232962.db2.gz	KOMCTOFNPPFYGV-UHFFFAOYSA-N	1	0	367.434	1.964	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1	ZINC000787259342	932233084	/nfs/dbraw/zinc/23/30/84/932233084.db2.gz	CKZPMZJVJMBNMK-CABCVRRESA-N	1	0	355.442	1.683	20	30		FDEDRO
N#CCOc1ccc(CC(=O)O[C@@H]2CCCN(c3cc[nH+]c(N)n3)C2)cc1	ZINC000788071117	932544976	/nfs/dbraw/zinc/54/49/76/932544976.db2.gz	NZUROBYCXHVDKM-MRXNPFEDSA-N	1	0	367.409	1.716	20	30		FDEDRO
COc1ccc2nc(C[NH2+]CCNC(=O)C3N=CC=CC3=O)sc2c1	ZINC000788966293	932893383	/nfs/dbraw/zinc/89/33/83/932893383.db2.gz	XABITLWGCZADRH-MSUUIHNZSA-N	1	0	358.423	1.921	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)n1	ZINC000789091503	932933847	/nfs/dbraw/zinc/93/38/47/932933847.db2.gz	WGVGFUUDXAPVSW-QAPCUYQASA-N	1	0	359.474	1.157	20	30		FDEDRO
C(=[NH+]NCCc1ccncc1)c1c(N2CCOCC2)nc2ccccn21	ZINC000789094561	932933994	/nfs/dbraw/zinc/93/39/94/932933994.db2.gz	PTZGRVZJLGNDQQ-UHFFFAOYSA-N	1	0	350.426	1.732	20	30		FDEDRO
N#Cc1ccccc1CN1C(=O)CN(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)C1=O	ZINC000789509489	933064416	/nfs/dbraw/zinc/06/44/16/933064416.db2.gz	UOSKZBQRRYCAQO-QZTJIDSGSA-N	1	0	368.437	1.923	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnc(N(C)C)cn2)C1	ZINC001086588437	933609157	/nfs/dbraw/zinc/60/91/57/933609157.db2.gz	VQAQMVNBEUJILX-PKOBYXMFSA-N	1	0	363.465	1.764	20	30		FDEDRO
CCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccsc1	ZINC000790726715	933716247	/nfs/dbraw/zinc/71/62/47/933716247.db2.gz	RSRAWMCBWAVPKO-LBPRGKRZSA-N	1	0	354.501	1.767	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2CCOCC2=O)C1	ZINC001086592680	933814736	/nfs/dbraw/zinc/81/47/36/933814736.db2.gz	BNAPBQMIPQOYLN-ZWKOTPCHSA-N	1	0	357.454	1.006	20	30		FDEDRO
C#C[C@@H](CCC)NC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000791020440	933830219	/nfs/dbraw/zinc/83/02/19/933830219.db2.gz	RTOVXOMXYSCCQE-KRWDZBQOSA-N	1	0	358.490	1.480	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1ccc(I)cc1O	ZINC001170993804	945095208	/nfs/dbraw/zinc/09/52/08/945095208.db2.gz	OPAFTNXLQOYEJU-UHFFFAOYSA-N	1	0	358.179	1.292	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)C1	ZINC001086622084	938403686	/nfs/dbraw/zinc/40/36/86/938403686.db2.gz	FJETWQMZYKHZCP-ZCNNSNEGSA-N	1	0	371.481	1.394	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@@H]2n2ccnn2)CCOCC1	ZINC001129412756	938407904	/nfs/dbraw/zinc/40/79/04/938407904.db2.gz	WEXNJYVQQIUVIB-SJORKVTESA-N	1	0	359.474	1.403	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cccnc2OCC)[C@@H](n2ccnn2)C1	ZINC001129412472	938408056	/nfs/dbraw/zinc/40/80/56/938408056.db2.gz	SSQITUUBUDZZHT-SJORKVTESA-N	1	0	370.457	1.693	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Oc2ccc(C)cc2)[C@@H](n2ccnn2)C1	ZINC001129418277	938409924	/nfs/dbraw/zinc/40/99/24/938409924.db2.gz	PRDLWHYSTUPMHJ-QRQLOZEOSA-N	1	0	369.469	1.972	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CCc2ccccc2F)[C@@H](n2ccnn2)C1	ZINC001129428255	938414191	/nfs/dbraw/zinc/41/41/91/938414191.db2.gz	WHPPUHAAHRKNKJ-MSOLQXFVSA-N	1	0	355.417	1.415	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](Cc2ccccc2)OC)[C@@H](n2ccnn2)C1	ZINC001129441379	938427127	/nfs/dbraw/zinc/42/71/27/938427127.db2.gz	RPEFTEYRZJBHIG-QYZOEREBSA-N	1	0	369.469	1.453	20	30		FDEDRO
CC(C)(F)C(=O)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129515902	938448275	/nfs/dbraw/zinc/44/82/75/938448275.db2.gz	AGSGCOHFMNCNOP-SJORKVTESA-N	1	0	355.417	1.419	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1n1ccnn1	ZINC001129556871	938453110	/nfs/dbraw/zinc/45/31/10/938453110.db2.gz	VXPGRGWKXWDRIB-SJORKVTESA-N	1	0	359.478	1.637	20	30		FDEDRO
CC(C)(C)CCC[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@@H]1n1ccnn1	ZINC001129603852	938462873	/nfs/dbraw/zinc/46/28/73/938462873.db2.gz	MTGSGLNZXQLGFL-CABCVRRESA-N	1	0	364.519	1.703	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCCO2)C[C@@H]1n1ccnn1	ZINC001129607759	938463764	/nfs/dbraw/zinc/46/37/64/938463764.db2.gz	AVJWYZPBZSUSCZ-KSZLIROESA-N	1	0	361.490	1.935	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cncnc2C)C[C@@H]1n1ccnn1	ZINC001129613469	938468562	/nfs/dbraw/zinc/46/85/62/938468562.db2.gz	SHTBTCFIEJQBIR-XYPHTWIQSA-N	1	0	355.446	1.387	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cc(C)nn2C)C[C@@H]1n1ccnn1	ZINC001129633576	938474423	/nfs/dbraw/zinc/47/44/23/938474423.db2.gz	PCFPSSBUWFONCE-AEFFLSMTSA-N	1	0	371.489	1.722	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]CCn2nc(C)cc2C)[C@@H](n2ccnn2)C1	ZINC001129666561	938478380	/nfs/dbraw/zinc/47/83/80/938478380.db2.gz	BFNODAXTBVRPFG-SJORKVTESA-N	1	0	357.462	1.099	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]CCc2cnn(CC)c2)[C@@H](n2ccnn2)C1	ZINC001129667547	938478913	/nfs/dbraw/zinc/47/89/13/938478913.db2.gz	YYOSUFPHFJGUSY-SJORKVTESA-N	1	0	357.462	1.045	20	30		FDEDRO
Cc1ccccc1CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1n1ccnn1	ZINC001129689860	938486174	/nfs/dbraw/zinc/48/61/74/938486174.db2.gz	BUUFJLQHDJKZDO-UHOSZYNNSA-N	1	0	366.469	1.721	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1n1ccnn1	ZINC001129778182	938513869	/nfs/dbraw/zinc/51/38/69/938513869.db2.gz	POMVBBNIVKHGDE-XYPHTWIQSA-N	1	0	353.430	1.488	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2ccnn2C)C[C@@H]1n1ccnn1	ZINC001129850037	938527215	/nfs/dbraw/zinc/52/72/15/938527215.db2.gz	LOMOWIZNTIMRIZ-INMHGKMJSA-N	1	0	357.462	1.123	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cscc2C(F)F)C[C@@H]1n1ccnn1	ZINC001129850230	938527384	/nfs/dbraw/zinc/52/73/84/938527384.db2.gz	UBVJSYOTKPXWBE-KGLIPLIRSA-N	1	0	365.409	1.956	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(F)c2C)C[C@@H]1n1ccnn1	ZINC001129858283	938530097	/nfs/dbraw/zinc/53/00/97/938530097.db2.gz	UEZZVLXMSZKANW-MSOLQXFVSA-N	1	0	371.416	1.031	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnc3n2[C@@H](C)CCC3)C[C@@H]1n1ccnn1	ZINC001129864307	938532018	/nfs/dbraw/zinc/53/20/18/938532018.db2.gz	VHJAAVFMYMIVFH-UXLLHSPISA-N	1	0	367.457	1.051	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]C[C@@H]2CC(C)(C)CO2)[C@@H](n2ccnn2)C1	ZINC001129834578	938533724	/nfs/dbraw/zinc/53/37/24/938533724.db2.gz	ZYPGIMYCRSEBTI-BBWFWOEESA-N	1	0	359.474	1.238	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H]([NH2+]CC/C=C\CCC)[C@@H](n2ccnn2)C1	ZINC001129837449	938534672	/nfs/dbraw/zinc/53/46/72/938534672.db2.gz	DTEYFMUOWDHOGX-DFOOCIKTSA-N	1	0	359.474	1.406	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H]([NH2+]Cc2ccccc2C)[C@@H](n2ccnn2)C1	ZINC001129838083	938535348	/nfs/dbraw/zinc/53/53/48/938535348.db2.gz	QRIZRCHBAWGNFR-MOPGFXCFSA-N	1	0	367.453	1.168	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccnn2CC(C)C)C[C@@H]1n1ccnn1	ZINC001129876160	938546507	/nfs/dbraw/zinc/54/65/07/938546507.db2.gz	DFYWNDUCZUTMFZ-AEFFLSMTSA-N	1	0	371.489	1.752	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2CC)C[C@@H]1n1ccnn1	ZINC001129905319	938548193	/nfs/dbraw/zinc/54/81/93/938548193.db2.gz	UQZGVWUDIVCSMR-SJORKVTESA-N	1	0	357.462	1.196	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2C=CCCC2)C[C@@H]1n1ccnn1	ZINC001129907270	938549368	/nfs/dbraw/zinc/54/93/68/938549368.db2.gz	ZNPIXEGHKJZUGU-KURKYZTESA-N	1	0	359.474	1.569	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]([NH2+]CCC(C)C)[C@@H](n2ccnn2)C1	ZINC001129894586	938555743	/nfs/dbraw/zinc/55/57/43/938555743.db2.gz	KHVMXGTXTZYUPQ-AEFFLSMTSA-N	1	0	356.474	1.967	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cncc(COC)c2)C[C@@H]1n1ccnn1	ZINC001129898171	938558561	/nfs/dbraw/zinc/55/85/61/938558561.db2.gz	PAIBXOIKBIHXNQ-SJORKVTESA-N	1	0	356.430	1.051	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)n2ccnc2)C[C@@H]1n1ccnn1	ZINC001129902569	938561633	/nfs/dbraw/zinc/56/16/33/938561633.db2.gz	SNFMETSYBPDSSU-SQNIBIBYSA-N	1	0	369.473	1.127	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)C2CC2)C[C@@H]1n1ccnn1	ZINC001129934322	938563506	/nfs/dbraw/zinc/56/35/06/938563506.db2.gz	ZNWBMKHKNOMUEN-AABGKKOBSA-N	1	0	363.465	1.837	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC(C)(C)CO2)C[C@@H]1n1ccnn1	ZINC001129939543	938565360	/nfs/dbraw/zinc/56/53/60/938565360.db2.gz	JHRAIIDKRSQUQF-ZACQAIPSSA-N	1	0	359.474	1.238	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CC(C)(C)CC(F)F)C[C@@H]1n1ccnn1	ZINC001129939638	938565499	/nfs/dbraw/zinc/56/54/99/938565499.db2.gz	OZAVADPOANJALB-KGLIPLIRSA-N	1	0	353.417	1.714	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2ccnc(C)n2)C[C@@H]1n1ccnn1	ZINC001129942786	938566981	/nfs/dbraw/zinc/56/69/81/938566981.db2.gz	FNYLSLGBWRNIOP-MSOLQXFVSA-N	1	0	369.473	1.317	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)COC2CCCCC2)C[C@@H]1n1ccnn1	ZINC001129920889	938568149	/nfs/dbraw/zinc/56/81/49/938568149.db2.gz	DGJLZXCDUFIDKE-MSOLQXFVSA-N	1	0	361.490	1.935	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(F)ccc2OC)C[C@@H]1n1ccnn1	ZINC001129949289	938574346	/nfs/dbraw/zinc/57/43/46/938574346.db2.gz	WYUFPNCWFBLMDH-CVEARBPZSA-N	1	0	359.405	1.657	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]CC[C@H](C)F)[C@@H](n3ccnn3)C2)cc1	ZINC001129952327	938575342	/nfs/dbraw/zinc/57/53/42/938575342.db2.gz	PACUMYLATRLMPU-QGTPRVQTSA-N	1	0	355.417	1.663	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n2ccnn2)C1	ZINC001129954692	938576537	/nfs/dbraw/zinc/57/65/37/938576537.db2.gz	ZLURMVYVVIWMAR-QYMIHNKOSA-N	1	0	367.881	1.601	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC2(C)C)C[C@@H]1n1ccnn1	ZINC001129961167	938578296	/nfs/dbraw/zinc/57/82/96/938578296.db2.gz	BJVVVLWYJCEBIN-ZACQAIPSSA-N	1	0	359.474	1.096	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cncc(C)c2)C[C@@H]1n1ccnn1	ZINC001129945535	938580732	/nfs/dbraw/zinc/58/07/32/938580732.db2.gz	PKSRDGASUHPRKV-UHOSZYNNSA-N	1	0	368.485	1.920	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCC2(F)F)C[C@@H]1n1ccnn1	ZINC001129945822	938581111	/nfs/dbraw/zinc/58/11/11/938581111.db2.gz	XPQSCIBRYPOWIV-ZNMIVQPWSA-N	1	0	351.401	1.468	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cc(F)ccc2C)C[C@@H]1n1ccnn1	ZINC001129947626	938582262	/nfs/dbraw/zinc/58/22/62/938582262.db2.gz	JVUCNPAYFMZGRE-MSOLQXFVSA-N	1	0	371.416	1.031	20	30		FDEDRO
C[N@H+](Cc1ccccc1)C1CN(c2cccc(S(N)(=O)=O)c2C#N)C1	ZINC000804812735	938583647	/nfs/dbraw/zinc/58/36/47/938583647.db2.gz	SDLIPQOOZBTRMP-UHFFFAOYSA-N	1	0	356.451	1.526	20	30		FDEDRO
C[N@H+](Cc1ccccc1)C1CN(c2ccc(S(N)(=O)=O)cc2C#N)C1	ZINC000804813045	938585263	/nfs/dbraw/zinc/58/52/63/938585263.db2.gz	VLXYAKVDXMGDAC-UHFFFAOYSA-N	1	0	356.451	1.526	20	30		FDEDRO
CC(C)[C@H](F)C(=O)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129969047	938586435	/nfs/dbraw/zinc/58/64/35/938586435.db2.gz	AXUGQBUKIWKIMF-QYZOEREBSA-N	1	0	369.444	1.665	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2nc(Cl)cs2)C[C@@H]1n1ccnn1	ZINC001129977987	938593487	/nfs/dbraw/zinc/59/34/87/938593487.db2.gz	NAINEBMPHLUEII-MNOVXSKESA-N	1	0	352.851	1.619	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(CCC)cc2)C[C@@H]1n1ccnn1	ZINC001129982338	938597125	/nfs/dbraw/zinc/59/71/25/938597125.db2.gz	DTCUVEUYSXTOLP-MOPGFXCFSA-N	1	0	351.454	1.909	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3ccccc32)C[C@@H]1n1ccnn1	ZINC001129982334	938597262	/nfs/dbraw/zinc/59/72/62/938597262.db2.gz	DPSOJFADUBPLDK-QRVBRYPASA-N	1	0	351.454	1.926	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccoc2C2CC2)C[C@@H]1n1ccnn1	ZINC001129982915	938597556	/nfs/dbraw/zinc/59/75/56/938597556.db2.gz	JQBWSJZHADBYDM-SJORKVTESA-N	1	0	371.441	1.606	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]([NH2+]CCCCC)[C@@H](n3ccnn3)C2)c1	ZINC001129997424	938605535	/nfs/dbraw/zinc/60/55/35/938605535.db2.gz	LYFALVVYGIDPAR-MSOLQXFVSA-N	1	0	352.442	1.500	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]([NH2+][C@H](CCCC)C(N)=O)[C@@H](n2ccnn2)C1	ZINC001129986483	938609686	/nfs/dbraw/zinc/60/96/86/938609686.db2.gz	BWMRJIBCWKAHNM-OAGGEKHMSA-N	1	0	362.478	1.020	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)cc2C)C[C@@H]1n1ccnn1	ZINC001129986498	938609782	/nfs/dbraw/zinc/60/97/82/938609782.db2.gz	CIZCETDLRLONEQ-MSOLQXFVSA-N	1	0	353.426	1.274	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)cc2C)C[C@@H]1n1ccnn1	ZINC001129986841	938610045	/nfs/dbraw/zinc/61/00/45/938610045.db2.gz	OVENDEDJIDLCJR-MSOLQXFVSA-N	1	0	353.426	1.274	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cccnc2OC)C[C@@H]1n1ccnn1	ZINC001129990086	938612217	/nfs/dbraw/zinc/61/22/17/938612217.db2.gz	LJZCRSZGKWSIDB-CVEARBPZSA-N	1	0	356.430	1.303	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cn(CC)nc2C)C[C@@H]1n1ccnn1	ZINC001130023947	938620143	/nfs/dbraw/zinc/62/01/43/938620143.db2.gz	GFZDWZRFUCDCEX-OLMNPRSZSA-N	1	0	371.489	1.813	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2cccnc2C)C[C@@H]1n1ccnn1	ZINC001130005816	938622973	/nfs/dbraw/zinc/62/29/73/938622973.db2.gz	IHUHJNMKIPLYIF-MSOLQXFVSA-N	1	0	354.458	1.532	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C3CC3)nc2C)C[C@@H]1n1ccnn1	ZINC001130008116	938625510	/nfs/dbraw/zinc/62/55/10/938625510.db2.gz	YAZVNXRQFZVVEH-MOPGFXCFSA-N	1	0	364.453	1.538	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC/C=C\CCC)[C@@H](n2ccnn2)C1	ZINC001130009568	938626131	/nfs/dbraw/zinc/62/61/31/938626131.db2.gz	WGDIASWUVJHDHL-XZOBEWGMSA-N	1	0	373.501	1.957	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2noc3c2CCCCC3)C[C@@H]1n1ccnn1	ZINC001130024061	938627973	/nfs/dbraw/zinc/62/79/73/938627973.db2.gz	IDMPBQPKIIWDRV-CVEARBPZSA-N	1	0	368.441	1.214	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1n1ccnn1	ZINC001130024281	938628182	/nfs/dbraw/zinc/62/81/82/938628182.db2.gz	QCJYDTVSQCGDNH-SJORKVTESA-N	1	0	359.478	1.556	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCn2nc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001130026340	938629067	/nfs/dbraw/zinc/62/90/67/938629067.db2.gz	LXJISHNLMOZVKT-MSOLQXFVSA-N	1	0	371.489	1.489	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](CCC)C(C)C)C[C@@H]1n1ccnn1	ZINC001130026666	938629462	/nfs/dbraw/zinc/62/94/62/938629462.db2.gz	YKMQHNRLCAOCLY-KSZLIROESA-N	1	0	363.506	1.895	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCC2CCOCC2)C[C@@H]1n1ccnn1	ZINC001130028196	938630449	/nfs/dbraw/zinc/63/04/49/938630449.db2.gz	KLZYSZHADYGFNO-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)nc2OC)C[C@@H]1n1ccnn1	ZINC001130033136	938633656	/nfs/dbraw/zinc/63/36/56/938633656.db2.gz	WBERZTLHPLCBEW-SJORKVTESA-N	1	0	370.457	1.612	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001130034362	938634674	/nfs/dbraw/zinc/63/46/74/938634674.db2.gz	NAPZIIPQWJXMSD-NMLBUPMWSA-N	1	0	363.465	1.755	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n2ccnn2)C1	ZINC001130038065	938636023	/nfs/dbraw/zinc/63/60/23/938636023.db2.gz	JVOKCGKCZKEVKE-NKSGXYFUSA-N	1	0	365.865	1.353	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnc(C)nc2C)C[C@@H]1n1ccnn1	ZINC001130043970	938643069	/nfs/dbraw/zinc/64/30/69/938643069.db2.gz	JKURFVMSANFYOK-SJORKVTESA-N	1	0	355.446	1.306	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1n1ccnn1	ZINC001130057139	938646361	/nfs/dbraw/zinc/64/63/61/938646361.db2.gz	KBJMPFWSLVUQEU-CVEARBPZSA-N	1	0	359.478	1.556	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2nc(C3CC3)oc2C)C[C@@H]1n1ccnn1	ZINC001130062626	938650683	/nfs/dbraw/zinc/65/06/83/938650683.db2.gz	OHEVWDRUBWCIOH-CABCVRRESA-N	1	0	356.430	1.683	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(OC(C)C)n2)C[C@@H]1n1ccnn1	ZINC001130062683	938650974	/nfs/dbraw/zinc/65/09/74/938650974.db2.gz	RIITXWHIPSDXGO-SJORKVTESA-N	1	0	368.441	1.139	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cccc(OC)n2)C[C@@H]1n1ccnn1	ZINC001130066836	938655523	/nfs/dbraw/zinc/65/55/23/938655523.db2.gz	NAIARGAVUTWDDT-OIISXLGYSA-N	1	0	370.457	1.692	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(CC(C)C)c[nH]2)C[C@@H]1n1ccnn1	ZINC001130085846	938666790	/nfs/dbraw/zinc/66/67/90/938666790.db2.gz	AQVBBQSEOYXHGT-MSOLQXFVSA-N	1	0	354.458	1.483	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](F)CC2CCCCC2)C[C@@H]1n1ccnn1	ZINC001130085984	938667429	/nfs/dbraw/zinc/66/74/29/938667429.db2.gz	GOMDOFXGIMSDAU-KSZLIROESA-N	1	0	361.465	1.951	20	30		FDEDRO
C#CC[C@@H](Cc1ccccc1)NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1	ZINC000805073619	938667976	/nfs/dbraw/zinc/66/79/76/938667976.db2.gz	QAXSLGOZDUNYRA-OALUTQOASA-N	1	0	370.497	1.508	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2oncc2C)C[C@@H]1n1ccnn1	ZINC001130077390	938670702	/nfs/dbraw/zinc/67/07/02/938670702.db2.gz	GUWJJIPWRSWNKU-CVEARBPZSA-N	1	0	358.446	1.976	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2ccccn2)C[C@@H]1n1ccnn1	ZINC001130088850	938675202	/nfs/dbraw/zinc/67/52/02/938675202.db2.gz	LOIPAVNCLUNLEJ-XHSDSOJGSA-N	1	0	356.430	1.058	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2ccco2)C[C@@H]1n1ccnn1	ZINC001130088887	938675628	/nfs/dbraw/zinc/67/56/28/938675628.db2.gz	NNNVOKSHNXYNLQ-ZACQAIPSSA-N	1	0	371.441	1.056	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CC(C)(C)C(F)(F)F)C[C@@H]1n1ccnn1	ZINC001130107343	938687185	/nfs/dbraw/zinc/68/71/85/938687185.db2.gz	KYIDDLRIGRRGFH-OLZOCXBDSA-N	1	0	357.380	1.622	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cncnc2C(C)C)C[C@@H]1n1ccnn1	ZINC001130129356	938698611	/nfs/dbraw/zinc/69/86/11/938698611.db2.gz	DEDFYXJEJJVXNS-SJORKVTESA-N	1	0	369.473	1.813	20	30		FDEDRO
C=C[C@H](CC(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1)c1ccccc1	ZINC001130133922	938708466	/nfs/dbraw/zinc/70/84/66/938708466.db2.gz	JPMUQNGTIMTWIZ-NXHRZFHOSA-N	1	0	357.433	1.949	20	30		FDEDRO
C=C[C@@H](CC(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1)c1ccccc1	ZINC001130133921	938708508	/nfs/dbraw/zinc/70/85/08/938708508.db2.gz	JPMUQNGTIMTWIZ-JQHSSLGASA-N	1	0	357.433	1.949	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001130143229	938714470	/nfs/dbraw/zinc/71/44/70/938714470.db2.gz	PHKQTPRTLQKXDQ-SXLOBPIMSA-N	1	0	365.481	1.830	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2cscn2)C[C@@H]1n1ccnn1	ZINC001130153231	938716982	/nfs/dbraw/zinc/71/69/82/938716982.db2.gz	DURQBRKAMXHUHK-CVEARBPZSA-N	1	0	360.487	1.675	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(CC)n(C)n2)C[C@@H]1n1ccnn1	ZINC001130155348	938718419	/nfs/dbraw/zinc/71/84/19/938718419.db2.gz	BPAWQKBAEPNAMZ-OLMNPRSZSA-N	1	0	371.489	1.584	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnc(C(C)C)s2)C[C@@H]1n1ccnn1	ZINC001130161440	938721445	/nfs/dbraw/zinc/72/14/45/938721445.db2.gz	WGXXKQIUUAKMBZ-KGLIPLIRSA-N	1	0	358.471	1.537	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccco2)[nH]1	ZINC001130177591	938725135	/nfs/dbraw/zinc/72/51/35/938725135.db2.gz	JHAXHKKVHZYPKY-ZFWWWQNUSA-N	1	0	359.430	1.756	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccs2)[nH]1	ZINC001130181479	938728609	/nfs/dbraw/zinc/72/86/09/938728609.db2.gz	KCVFCLJCSDNNKM-STQMWFEESA-N	1	0	359.455	1.282	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CSC)[nH]1	ZINC001130181781	938728865	/nfs/dbraw/zinc/72/88/65/938728865.db2.gz	VDQFBESOUFTTDG-STQMWFEESA-N	1	0	353.492	1.212	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC2CCCCC2)n1	ZINC001130181929	938729230	/nfs/dbraw/zinc/72/92/30/938729230.db2.gz	YGBDTBPYGIKRPW-HOTGVXAUSA-N	1	0	359.474	1.487	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)/C=C(/C)C2CC2)n1	ZINC001130186592	938732239	/nfs/dbraw/zinc/73/22/39/938732239.db2.gz	GIWFSHFEHITDAQ-UPUWXQQRSA-N	1	0	357.458	1.263	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCC2CCC2)n1	ZINC001130195870	938738832	/nfs/dbraw/zinc/73/88/32/938738832.db2.gz	GSWQONPAKJQPIH-HOTGVXAUSA-N	1	0	359.474	1.487	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2oc(C)cc2C)n1	ZINC001130195931	938739153	/nfs/dbraw/zinc/73/91/53/938739153.db2.gz	JHKRQGWPAUYOFG-GJZGRUSLSA-N	1	0	371.441	1.430	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(F)=C(C)C)[nH]1	ZINC001130198215	938740013	/nfs/dbraw/zinc/74/00/13/938740013.db2.gz	AHORCCLIXDOFLF-STQMWFEESA-N	1	0	351.426	1.723	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H]2CCCCO2)[nH]1	ZINC001130198269	938740238	/nfs/dbraw/zinc/74/02/38/938740238.db2.gz	DEDNDENHCHJNJW-ILXRZTDVSA-N	1	0	363.462	1.028	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCc2ccoc2)[nH]1	ZINC001130198411	938740308	/nfs/dbraw/zinc/74/03/08/938740308.db2.gz	JQUHICUGTZDLCA-HOTGVXAUSA-N	1	0	371.441	1.132	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC2(F)F)[nH]1	ZINC001130207703	938747025	/nfs/dbraw/zinc/74/70/25/938747025.db2.gz	MTOSIIFGCSEQLB-SRVKXCTJSA-N	1	0	355.389	1.114	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)CCCC)[nH]1	ZINC001130207745	938747109	/nfs/dbraw/zinc/74/71/09/938747109.db2.gz	NVGVSVACOZBLRD-JYJNAYRXSA-N	1	0	361.490	1.733	20	30		FDEDRO
C#CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCF)[nH]1	ZINC001130209961	938747955	/nfs/dbraw/zinc/74/79/55/938747955.db2.gz	RZQNBRNECRWODU-KBPBESRZSA-N	1	0	351.426	1.046	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C#CC(C)C)n1	ZINC001130213258	938750353	/nfs/dbraw/zinc/75/03/53/938750353.db2.gz	WEPQZXUJKMVNDA-KBPBESRZSA-N	1	0	365.865	1.295	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)=C2CCC2)[nH]1	ZINC001130213245	938750475	/nfs/dbraw/zinc/75/04/75/938750475.db2.gz	VUEFOVVXJQXBBY-HOTGVXAUSA-N	1	0	357.458	1.407	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2cccc(C)c2)[nH]1	ZINC001130239857	938755884	/nfs/dbraw/zinc/75/58/84/938755884.db2.gz	AEVUJWNQMZNFKT-IRXDYDNUSA-N	1	0	369.469	1.620	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@]23C[C@@H]2CCCC3)[nH]1	ZINC001130239864	938755963	/nfs/dbraw/zinc/75/59/63/938755963.db2.gz	AQTCJJXFQDVXRB-ULMVMLMRSA-N	1	0	371.485	1.487	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)C(C)(C)C)n1	ZINC001130221043	938756428	/nfs/dbraw/zinc/75/64/28/938756428.db2.gz	QTWQLBOLPHTWLX-ILXRZTDVSA-N	1	0	361.490	1.589	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2[nH]c(C)cc2C)[nH]1	ZINC001130223206	938757122	/nfs/dbraw/zinc/75/71/22/938757122.db2.gz	QVUHTPCXBBQRCQ-GJZGRUSLSA-N	1	0	370.457	1.165	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)CC(F)F)[nH]1	ZINC001130224992	938759246	/nfs/dbraw/zinc/75/92/46/938759246.db2.gz	MFPIESZYMPGUJU-AVGNSLFASA-N	1	0	369.416	1.198	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](F)C(C)C)[nH]1	ZINC001130227496	938761241	/nfs/dbraw/zinc/76/12/41/938761241.db2.gz	AZRFQBLXBKJDSE-DZKIICNBSA-N	1	0	367.469	1.843	20	30		FDEDRO
C=CC(C)(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C[C@@H](F)CC)[nH]1	ZINC001130227695	938761502	/nfs/dbraw/zinc/76/15/02/938761502.db2.gz	KJEVPPOXJIUYNM-IHRRRGAJSA-N	1	0	367.469	1.843	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@]23C[C@H]2CCC3)[nH]1	ZINC001130227811	938761755	/nfs/dbraw/zinc/76/17/55/938761755.db2.gz	QMYRSPRRZOGOOI-MMMWYMCRSA-N	1	0	359.474	1.649	20	30		FDEDRO
C=C/C(C)=C\CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(=C)C)[nH]1	ZINC001130227743	938761868	/nfs/dbraw/zinc/76/18/68/938761868.db2.gz	NCIWUPFXMRSKHI-FQJVJMQJSA-N	1	0	359.474	1.982	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC)[nH]1	ZINC001130230359	938763943	/nfs/dbraw/zinc/76/39/43/938763943.db2.gz	UVPQEGYECARNMB-DEYYWGMASA-N	1	0	365.478	1.132	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCF)[nH]1	ZINC001130234932	938766112	/nfs/dbraw/zinc/76/61/12/938766112.db2.gz	PSYHZQPFGRMFER-SUNYJGFJSA-N	1	0	367.469	1.845	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2CC)[nH]1	ZINC001130237774	938767136	/nfs/dbraw/zinc/76/71/36/938767136.db2.gz	DLHJHJXUIZNUQM-QXSJWSMHSA-N	1	0	361.490	1.895	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C(C)C)CC1	ZINC001130281339	938779165	/nfs/dbraw/zinc/77/91/65/938779165.db2.gz	IJMRZNBXVDVJFB-XLIONFOSSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COCC2CC2)CC1	ZINC001130276655	938787567	/nfs/dbraw/zinc/78/75/67/938787567.db2.gz	JSPOQZHJABNDAF-XLIONFOSSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1	ZINC001130279099	938789300	/nfs/dbraw/zinc/78/93/00/938789300.db2.gz	REIWSWMHWCATMV-LESCRADOSA-N	1	0	369.481	1.413	20	30		FDEDRO
C=CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CCOC2)CC1	ZINC001130279230	938789366	/nfs/dbraw/zinc/78/93/66/938789366.db2.gz	XAVANNLBYYKBOY-LMMKCTJWSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[C@@H]2CCOC2)CC1	ZINC001130285330	938790154	/nfs/dbraw/zinc/79/01/54/938790154.db2.gz	FBOWQMFIXJPWNA-MDYRTPRTSA-N	1	0	363.502	1.465	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@@H](C)OC)CC1	ZINC001130288402	938793152	/nfs/dbraw/zinc/79/31/52/938793152.db2.gz	NVXVKBLGHXAFPS-MDYRTPRTSA-N	1	0	363.502	1.300	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)CC(F)F)CC1	ZINC001130293349	938797024	/nfs/dbraw/zinc/79/70/24/938797024.db2.gz	VKFRLFJMJAVYPX-MRRJBJDNSA-N	1	0	355.429	1.386	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](CC(C)C)OC)CC1	ZINC001130301962	938800679	/nfs/dbraw/zinc/80/06/79/938800679.db2.gz	LCPZFWCQNYPHIY-LMMKCTJWSA-N	1	0	365.518	1.709	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1)c1ccncc1	ZINC000805806179	938829887	/nfs/dbraw/zinc/82/98/87/938829887.db2.gz	JZXOURRWGILOKW-WMZOPIPTSA-N	1	0	358.486	1.909	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)c1ccncc1	ZINC000805807892	938830193	/nfs/dbraw/zinc/83/01/93/938830193.db2.gz	OPCXUQUNWSCONO-ABHNRTSZSA-N	1	0	356.470	1.948	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2)c1ccncc1	ZINC000805809850	938830882	/nfs/dbraw/zinc/83/08/82/938830882.db2.gz	YXBMOXVGJQYYCE-KRWDZBQOSA-N	1	0	356.470	1.902	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccncc1	ZINC000805810835	938831194	/nfs/dbraw/zinc/83/11/94/938831194.db2.gz	JAJMRBKHVJWUPN-AEFFLSMTSA-N	1	0	356.470	1.759	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccncc1	ZINC000805815154	938831851	/nfs/dbraw/zinc/83/18/51/938831851.db2.gz	KRUWSAWDFUSFIU-ROUUACIJSA-N	1	0	356.470	1.948	20	30		FDEDRO
C=CCCC[NH+]1CC2(C1)CN(C(=O)[C@]13C[C@H]1COC3)C[C@@H]2c1nnc(C)[nH]1	ZINC001130466487	938858080	/nfs/dbraw/zinc/85/80/80/938858080.db2.gz	ZCAMTGBLOJUNEW-YRNRMSPPSA-N	1	0	371.485	1.344	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1c1cn(C)cn1	ZINC001130493730	938873352	/nfs/dbraw/zinc/87/33/52/938873352.db2.gz	MOWXMKJSHIJMBD-SOLBZPMBSA-N	1	0	356.474	1.556	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1c1cn(C)cn1	ZINC001130485626	938878487	/nfs/dbraw/zinc/87/84/87/938878487.db2.gz	JEUDBRQWJXQVBB-HLLBOEOZSA-N	1	0	360.458	1.547	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130575949	939878787	/nfs/dbraw/zinc/87/87/87/939878787.db2.gz	CCAPAYADKLEKNC-IJEWVQPXSA-N	1	0	357.462	1.101	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)COC(C)(C)C)C[C@H]1c1cn(C)cn1	ZINC001130576172	939879046	/nfs/dbraw/zinc/87/90/46/939879046.db2.gz	KBPLHCUUAPTMIY-DOTOQJQBSA-N	1	0	364.490	1.322	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2nn(C)cc2C)C[C@H]1c1cn(C)cn1	ZINC001130583591	939883784	/nfs/dbraw/zinc/88/37/84/939883784.db2.gz	HNZYPZMATMZBPA-DOTOQJQBSA-N	1	0	356.474	1.626	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#CC)C1	ZINC001130592839	939900062	/nfs/dbraw/zinc/90/00/62/939900062.db2.gz	HKZSGKIDHNCGKY-JFRXWTBNSA-N	1	0	356.470	1.309	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCOCC(F)F)C[C@H]1c1cn(C)cn1	ZINC001130593376	939900212	/nfs/dbraw/zinc/90/02/12/939900212.db2.gz	ZBHYBGLPIZIRSB-DZGCQCFKSA-N	1	0	356.417	1.552	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2snnc2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130610600	939908000	/nfs/dbraw/zinc/90/80/00/939908000.db2.gz	NFELDUIUXVSYFT-DZGCQCFKSA-N	1	0	370.482	1.370	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]C[C@H](C)OC)C2)CCC1	ZINC001130610784	939908311	/nfs/dbraw/zinc/90/83/11/939908311.db2.gz	QOSZDGKHBHIITG-XYJFISCASA-N	1	0	358.486	1.533	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccnn2C(F)F)C[C@H]1c1cn(C)cn1	ZINC001130602881	939914576	/nfs/dbraw/zinc/91/45/76/939914576.db2.gz	SAZRHJVAASXRIB-GXTWGEPZSA-N	1	0	364.400	1.786	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(OCC)nc2)C[C@H]1c1cn(C)cn1	ZINC001130604674	939916124	/nfs/dbraw/zinc/91/61/24/939916124.db2.gz	ILOIMZWUBIZNAS-FUHWJXTLSA-N	1	0	369.469	1.988	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)c(OC)c2)C[C@H]1c1cn(C)cn1	ZINC001130624382	939922188	/nfs/dbraw/zinc/92/21/88/939922188.db2.gz	UCXPBVPWIYDCQK-PKOBYXMFSA-N	1	0	366.465	1.958	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3c2CCCC3)C[C@H]1c1cn(C)cn1	ZINC001130624543	939922672	/nfs/dbraw/zinc/92/26/72/939922672.db2.gz	YEKSBUZAFBCIKE-MAUKXSAKSA-N	1	0	368.485	1.796	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2nc3c(s2)CCC3)C[C@H]1c1cn(C)cn1	ZINC001130626337	939923996	/nfs/dbraw/zinc/92/39/96/939923996.db2.gz	JPTZJAVKFPZMSM-XJKSGUPXSA-N	1	0	369.494	1.586	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)CC1	ZINC000819751571	945282293	/nfs/dbraw/zinc/28/22/93/945282293.db2.gz	WROLQUHWBYFDSN-UHFFFAOYSA-N	1	0	359.409	1.455	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH]ccc-3n2)C[C@H]1c1cn(C)cn1	ZINC001130617165	939928625	/nfs/dbraw/zinc/92/86/25/939928625.db2.gz	QUMJQECAQQCGOA-HNAYVOBHSA-N	1	0	362.437	1.518	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2(CCF)CC2)C[C@H]1c1cn(C)cn1	ZINC001130635055	939937236	/nfs/dbraw/zinc/93/72/36/939937236.db2.gz	GWQGCCXHQMCORB-DOTOQJQBSA-N	1	0	362.449	1.094	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(OC)ccn2)C[C@H]1c1cn(C)cn1	ZINC001130637574	939939339	/nfs/dbraw/zinc/93/93/39/939939339.db2.gz	AABJAHYUYSBMOF-MAUKXSAKSA-N	1	0	353.426	1.045	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#CCOC)C1	ZINC001130639438	939941530	/nfs/dbraw/zinc/94/15/30/939941530.db2.gz	CJQOXNBPDHAPBO-FUHWJXTLSA-N	1	0	358.486	1.556	20	30		FDEDRO
N#Cc1nc(NCCOCCOCC[NH3+])c(-c2ccccc2)nc1C#N	ZINC001170508412	939942061	/nfs/dbraw/zinc/94/20/61/939942061.db2.gz	SHALJWWEMAMRQO-UHFFFAOYSA-N	1	0	352.398	1.291	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C=C)C[C@H]1c1cn(C)cn1	ZINC001130680441	939968652	/nfs/dbraw/zinc/96/86/52/939968652.db2.gz	QRBDEYSGZLCGNO-JFRXWTBNSA-N	1	0	358.486	1.861	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2cccnc2)C[C@H]1c1cn(C)cn1	ZINC001130672166	939971130	/nfs/dbraw/zinc/97/11/30/939971130.db2.gz	JZARWDKTGGIDCB-VDZJLULYSA-N	1	0	369.469	1.743	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3nc[nH]c32)C[C@H]1c1cn(C)cn1	ZINC001130672459	939971463	/nfs/dbraw/zinc/97/14/63/939971463.db2.gz	PVXBHUQFMQDFFU-RVKKMQEKSA-N	1	0	366.469	1.171	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2nnn(CC)c2CC)C[C@H]1c1cn(C)cn1	ZINC001130675095	939973067	/nfs/dbraw/zinc/97/30/67/939973067.db2.gz	LRRXGQBFBFQYDA-GOEBONIOSA-N	1	0	371.489	1.368	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@H](CC)C(N)=O)C1	ZINC001130685361	939975313	/nfs/dbraw/zinc/97/53/13/939975313.db2.gz	PVSBFCUZNAOCNM-SQWLQELKSA-N	1	0	361.490	1.170	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cn2ccnc2C(C)C)C[C@H]1c1cn(C)cn1	ZINC001130687479	939977061	/nfs/dbraw/zinc/97/70/61/939977061.db2.gz	BPCGSSPMJPNVDA-FUHWJXTLSA-N	1	0	370.501	1.900	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)nc2OC)C[C@H]1c1cn(C)cn1	ZINC001130687795	939977863	/nfs/dbraw/zinc/97/78/63/939977863.db2.gz	QTVXSUPFXNAZOY-FUHWJXTLSA-N	1	0	369.469	1.906	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2ccnc2)C[C@H]1c1cn(C)cn1	ZINC001130682683	939982387	/nfs/dbraw/zinc/98/23/87/939982387.db2.gz	HUVISFGSVDYMJR-SOLBZPMBSA-N	1	0	356.474	1.728	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2nc(C3CC3)oc2C)C[C@H]1c1cn(C)cn1	ZINC001130703948	939984421	/nfs/dbraw/zinc/98/44/21/939984421.db2.gz	BLSNICKSACBEHT-DOTOQJQBSA-N	1	0	367.453	1.815	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2csc(Cl)n2)C[C@H]1c1cn(C)cn1	ZINC001130706522	939988268	/nfs/dbraw/zinc/98/82/68/939988268.db2.gz	KKFXLDJGRFYNEH-WCQYABFASA-N	1	0	363.874	1.751	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccncn2)C[C@H]1c1cn(C)cn1	ZINC001130695108	939989620	/nfs/dbraw/zinc/98/96/20/939989620.db2.gz	DZMYHSQIMUOZRL-RVKKMQEKSA-N	1	0	354.458	1.763	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2cnn(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130700884	939995981	/nfs/dbraw/zinc/99/59/81/939995981.db2.gz	HZMTVEXULGSYCU-HHXXYDBFSA-N	1	0	370.501	1.493	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)cc2)C[C@H]1c1cn(C)cn1	ZINC001130717181	940012315	/nfs/dbraw/zinc/01/23/15/940012315.db2.gz	DZFMNOIVBPHILU-PKOBYXMFSA-N	1	0	352.438	1.650	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn(CC3CC3)c2)C[C@H]1c1cn(C)cn1	ZINC001130708336	940013930	/nfs/dbraw/zinc/01/39/30/940013930.db2.gz	KBFVFXSXPZVDDA-PKOBYXMFSA-N	1	0	366.469	1.248	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)COc2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130728644	940017080	/nfs/dbraw/zinc/01/70/80/940017080.db2.gz	IZYLBAZABMYGEY-XKGZKEIXSA-N	1	0	366.465	1.652	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCOc2ccccc2F)C[C@H]1c1cn(C)cn1	ZINC001130721464	940025117	/nfs/dbraw/zinc/02/51/17/940025117.db2.gz	IRRQJTYZAHPLRR-MAUKXSAKSA-N	1	0	370.428	1.546	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COc2ccc(F)cc2)C[C@H]1c1cn(C)cn1	ZINC001130725939	940030497	/nfs/dbraw/zinc/03/04/97/940030497.db2.gz	HTSBSUKPOZTRGT-PKOBYXMFSA-N	1	0	370.428	1.546	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130734267	940034817	/nfs/dbraw/zinc/03/48/17/940034817.db2.gz	LNFSQCCMTWUKBA-HHXXYDBFSA-N	1	0	358.486	1.390	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnc(CC)s2)C[C@H]1c1cn(C)cn1	ZINC001130737163	940038472	/nfs/dbraw/zinc/03/84/72/940038472.db2.gz	VOJGFRPABJSNEF-DZGCQCFKSA-N	1	0	357.483	1.660	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(CC)n(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130741694	940044291	/nfs/dbraw/zinc/04/42/91/940044291.db2.gz	NCZRKTMQMNORSL-MAUKXSAKSA-N	1	0	356.474	1.490	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCC(=O)N(CC)CC)C[C@H]1c1cn(C)cn1	ZINC001130731555	940045233	/nfs/dbraw/zinc/04/52/33/940045233.db2.gz	KDFCUEVUWVYMKY-DOTOQJQBSA-N	1	0	361.490	1.139	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCSC)n2)O1	ZINC001130757914	940082365	/nfs/dbraw/zinc/08/23/65/940082365.db2.gz	LNVOAXJOKFNECU-UONOGXRCSA-N	1	0	367.519	1.950	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[C@@H]3CCCO3)n2)O1	ZINC001130758142	940083525	/nfs/dbraw/zinc/08/35/25/940083525.db2.gz	SVTWWCQVESUKMW-SOUVJXGZSA-N	1	0	363.462	1.376	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CO[C@H](C)CC)n2)O1	ZINC001130775460	940092758	/nfs/dbraw/zinc/09/27/58/940092758.db2.gz	WYFSSNKQOLRMSL-QLFBSQMISA-N	1	0	365.478	1.622	20	30		FDEDRO
C=CCOCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCC(C)C)O2)n[nH]1	ZINC001130767968	940102881	/nfs/dbraw/zinc/10/28/81/940102881.db2.gz	WWOKQHNILNKDOS-LSDHHAIUSA-N	1	0	365.478	1.479	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cnccc3C)n2)O1	ZINC001130772456	940112197	/nfs/dbraw/zinc/11/21/97/940112197.db2.gz	NTLOEZSUNWXYEV-GOEBONIOSA-N	1	0	368.441	1.271	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC3(C)CCCC3)n2)O1	ZINC001130778208	940131434	/nfs/dbraw/zinc/13/14/34/940131434.db2.gz	LCYLZFLZDPQXOP-LSDHHAIUSA-N	1	0	359.474	1.834	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)n2)O1	ZINC001130782985	940142432	/nfs/dbraw/zinc/14/24/32/940142432.db2.gz	IKRRMLUXYATXNU-DRRXZNNHSA-N	1	0	369.469	1.466	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1	ZINC001130796119	940150394	/nfs/dbraw/zinc/15/03/94/940150394.db2.gz	ISNAYFYYENRZFA-MELADBBJSA-N	1	0	353.442	1.802	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCC3(C)C)n2)O1	ZINC001130796193	940150428	/nfs/dbraw/zinc/15/04/28/940150428.db2.gz	LPYGGSFJTXSDFC-SOUVJXGZSA-N	1	0	359.474	1.690	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)C(C)(C)C)n2)O1	ZINC001130790005	940161076	/nfs/dbraw/zinc/16/10/76/940161076.db2.gz	CJVXZLMLKRECQF-SOUVJXGZSA-N	1	0	361.490	1.936	20	30		FDEDRO
C#CCC1(C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CC#CC)O3)n[nH]2)CCC1	ZINC001130790103	940162674	/nfs/dbraw/zinc/16/26/74/940162674.db2.gz	HVEPZZBWIDEMAO-JKSUJKDBSA-N	1	0	369.469	1.448	20	30		FDEDRO
C#CCC1(C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCC)O3)n[nH]2)CCC1	ZINC001130790254	940163369	/nfs/dbraw/zinc/16/33/69/940163369.db2.gz	PGZFSOBBQBPVFU-LSDHHAIUSA-N	1	0	359.474	1.834	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(COC)CC3)n2)O1	ZINC001130792439	940170021	/nfs/dbraw/zinc/17/00/21/940170021.db2.gz	DTWRBIWYOHXPLU-UONOGXRCSA-N	1	0	363.462	1.233	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCc3ccon3)n2)O1	ZINC001130792384	940170212	/nfs/dbraw/zinc/17/02/12/940170212.db2.gz	AYKXVWNCZYUJTF-UONOGXRCSA-N	1	0	360.418	1.037	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)C(C)(F)F)n2)O1	ZINC001130809102	940185153	/nfs/dbraw/zinc/18/51/53/940185153.db2.gz	HKGAWGAVUALXCS-FRRDWIJNSA-N	1	0	369.416	1.545	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cnc(C)nc3C)n2)O1	ZINC001130811886	940205827	/nfs/dbraw/zinc/20/58/27/940205827.db2.gz	QJNHFFGOUTWQQU-DZGCQCFKSA-N	1	0	371.445	1.137	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC34CCCC4)n2)O1	ZINC001130812905	940210490	/nfs/dbraw/zinc/21/04/90/940210490.db2.gz	FENUXYOGWBVPPO-SOUVJXGZSA-N	1	0	359.474	1.997	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCn3cccc3)n2)O1	ZINC001130813155	940211602	/nfs/dbraw/zinc/21/16/02/940211602.db2.gz	JXKWWDCAUHHGSF-LSDHHAIUSA-N	1	0	358.446	1.308	20	30		FDEDRO
C#Cc1ccc(C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CC=C)O3)n[nH]2)nc1	ZINC001130817537	940222958	/nfs/dbraw/zinc/22/29/58/940222958.db2.gz	RJYLQTPIRBIOPV-GOEBONIOSA-N	1	0	366.425	1.107	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H]1CN(C(C)=O)C[C@H]1c1cncn1C	ZINC001130884135	940280825	/nfs/dbraw/zinc/28/08/25/940280825.db2.gz	FEMRPOAXPVOJOW-DJIMGWMZSA-N	1	0	361.490	1.137	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnsn2)C[C@H]1c1cncn1C	ZINC001130924897	940321613	/nfs/dbraw/zinc/32/16/13/940321613.db2.gz	IWJZWQMJPJZMFX-UMVBOHGHSA-N	1	0	360.487	1.824	20	30		FDEDRO
CC/C=C/CC[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@H]1c1cncn1C	ZINC001130920919	940330708	/nfs/dbraw/zinc/33/07/08/940330708.db2.gz	NJFUZSTXPJHWSZ-FZZYSBJUSA-N	1	0	361.515	1.917	20	30		FDEDRO
CC/C=C\CC[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@H]1c1cncn1C	ZINC001130920920	940330847	/nfs/dbraw/zinc/33/08/47/940330847.db2.gz	NJFUZSTXPJHWSZ-KSLSASGISA-N	1	0	361.515	1.917	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N	ZINC000807394622	940333586	/nfs/dbraw/zinc/33/35/86/940333586.db2.gz	VKPHIGHEGGOCRL-CABCVRRESA-N	1	0	358.442	1.907	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2ccon2)C[C@H]1c1cncn1C	ZINC001130948240	940346640	/nfs/dbraw/zinc/34/66/40/940346640.db2.gz	BEHDHWFRHLICRW-USXIJHARSA-N	1	0	357.458	1.890	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2cc(C)on2)C[C@H]1c1cncn1C	ZINC001130940603	940350918	/nfs/dbraw/zinc/35/09/18/940350918.db2.gz	FCFRKMPXUILYIK-IAGOWNOFSA-N	1	0	357.458	1.809	20	30		FDEDRO
C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1	ZINC000807405988	940352112	/nfs/dbraw/zinc/35/21/12/940352112.db2.gz	RMJRCFPCEZYHHL-UHFFFAOYSA-N	1	0	359.389	1.868	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CNC(=O)CC)C[C@H]1c1cncn1C	ZINC001130957460	940363224	/nfs/dbraw/zinc/36/32/24/940363224.db2.gz	UABAOEVMELMYMQ-BZUAXINKSA-N	1	0	361.490	1.185	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1	ZINC000807454777	940364501	/nfs/dbraw/zinc/36/45/01/940364501.db2.gz	ZAIHMUYLKOGUGZ-QAPCUYQASA-N	1	0	355.438	1.722	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)n2cccc2)C[C@H]1c1cncn1C	ZINC001130959510	940365331	/nfs/dbraw/zinc/36/53/31/940365331.db2.gz	NXZXNXLGUFFNMG-KZNAEPCWSA-N	1	0	371.485	1.569	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)CCC)C[C@H]1c1cncn1C	ZINC001130951544	940370954	/nfs/dbraw/zinc/37/09/54/940370954.db2.gz	MAWFHBHEEOBVPA-ARFHVFGLSA-N	1	0	361.490	1.043	20	30		FDEDRO
CC(C)=CC[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1c1cncn1C	ZINC001130951828	940371048	/nfs/dbraw/zinc/37/10/48/940371048.db2.gz	SFGGIMYUEPIDPB-NVXWUHKLSA-N	1	0	352.442	1.784	20	30		FDEDRO
C#CCCN1CCN(C(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)CC1	ZINC000822935313	945318012	/nfs/dbraw/zinc/31/80/12/945318012.db2.gz	PMJJBZBYQHDBJZ-FLIBITNWSA-N	1	0	355.482	1.808	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC2OCCCO2)C[C@H]1c1cncn1C	ZINC001130969167	940377274	/nfs/dbraw/zinc/37/72/74/940377274.db2.gz	SJEYOHVJGMQNDC-HZPDHXFCSA-N	1	0	362.474	1.423	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC[C@H](C)O)C1	ZINC001130964336	940385195	/nfs/dbraw/zinc/38/51/95/940385195.db2.gz	FZMRFILMXWEAOM-RCCFBDPRSA-N	1	0	360.502	1.659	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cncnc2)C[C@H]1c1cncn1C	ZINC001130967023	940389378	/nfs/dbraw/zinc/38/93/78/940389378.db2.gz	KOHJGVACFNIRBW-USXIJHARSA-N	1	0	354.458	1.763	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2C=C)C[C@H]1c1cncn1C	ZINC001130991345	940413491	/nfs/dbraw/zinc/41/34/91/940413491.db2.gz	FDBOTUQLAMZJDM-MTNOOBJLSA-N	1	0	358.486	1.861	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1c1cncn1C	ZINC001130991288	940413607	/nfs/dbraw/zinc/41/36/07/940413607.db2.gz	CCYVMUCFVQCNED-KBAYOESNSA-N	1	0	370.501	1.635	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC[C@@H]2CCCO2)C1	ZINC001130991442	940414175	/nfs/dbraw/zinc/41/41/75/940414175.db2.gz	KTKNKGJZWRPEND-RCCFBDPRSA-N	1	0	358.486	1.533	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3n[nH]cc32)C[C@H]1c1cncn1C	ZINC001130994330	940417295	/nfs/dbraw/zinc/41/72/95/940417295.db2.gz	UHFLEKSBXYGQPP-YXJHDRRASA-N	1	0	368.485	1.723	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2ccn(CC)n2)C[C@H]1c1cncn1C	ZINC001130994268	940417403	/nfs/dbraw/zinc/41/74/03/940417403.db2.gz	QYVNRGCXZXCHGG-QZTJIDSGSA-N	1	0	370.501	1.729	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C2(CCOCC)CCC2)C[C@H]1c1cncn1C	ZINC001130995578	940419044	/nfs/dbraw/zinc/41/90/44/940419044.db2.gz	HAUXRCBZRMGAIG-IAGOWNOFSA-N	1	0	358.486	1.534	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@H](C)COC)C1	ZINC001131007605	940433905	/nfs/dbraw/zinc/43/39/05/940433905.db2.gz	CABMKWJVQMDXCG-BRWVUGGUSA-N	1	0	371.485	1.640	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2CC)C[C@H]1c1cncn1C	ZINC001131012163	940443807	/nfs/dbraw/zinc/44/38/07/940443807.db2.gz	FHRGUPNNPPBTTA-CRAIPNDOSA-N	1	0	370.501	1.880	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2ccncc2)C[C@H]1c1cncn1C	ZINC001131014583	940447897	/nfs/dbraw/zinc/44/78/97/940447897.db2.gz	BGFVJHJJPFRUDP-BHIYHBOVSA-N	1	0	365.481	1.916	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCCO1	ZINC000807684510	940455478	/nfs/dbraw/zinc/45/54/78/940455478.db2.gz	HBHXIGKWAZYQMI-HIEASXQVSA-N	1	0	361.486	1.197	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2(F)CCCC2)C[C@H]1c1cncn1C	ZINC001131022781	940456091	/nfs/dbraw/zinc/45/60/91/940456091.db2.gz	GPOMLAMMNBWMSB-HZPDHXFCSA-N	1	0	364.465	1.789	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C(=O)Nc2ccccc2)C[C@H]1c1cncn1C	ZINC001131023246	940456647	/nfs/dbraw/zinc/45/66/47/940456647.db2.gz	URTRMGLLNSBWGM-IAGOWNOFSA-N	1	0	367.453	1.519	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@]23CCC[C@H]2OCC3)C[C@H]1c1cncn1C	ZINC001131025951	940459331	/nfs/dbraw/zinc/45/93/31/940459331.db2.gz	LTHNISMHCCVHPQ-CIWUYKSXSA-N	1	0	356.470	1.287	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2cc(C)nn2C)C[C@H]1c1cncn1C	ZINC001131028776	940463310	/nfs/dbraw/zinc/46/33/10/940463310.db2.gz	ITDJOTLBRATCBL-IAGOWNOFSA-N	1	0	356.474	1.165	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](OCC)C2CCCC2)C[C@H]1c1cncn1C	ZINC001131038427	940466741	/nfs/dbraw/zinc/46/67/41/940466741.db2.gz	RAWBFIYBVWFLPA-ZHALLVOQSA-N	1	0	358.486	1.533	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)NC(=O)C(C)(C)C)C[C@H]1c1cncn1C	ZINC001131040055	940467848	/nfs/dbraw/zinc/46/78/48/940467848.db2.gz	JGNOJQUQGYWCAZ-RRFJBIMHSA-N	1	0	361.490	1.041	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCCOC)C2)cc1	ZINC001131040075	940468065	/nfs/dbraw/zinc/46/80/65/940468065.db2.gz	KLCYXEGSORKMOC-RTBURBONSA-N	1	0	366.465	1.636	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(OC)ccn2)C[C@H]1c1cncn1C	ZINC001131040379	940468590	/nfs/dbraw/zinc/46/85/90/940468590.db2.gz	ULJPGRXPAHJION-NVXWUHKLSA-N	1	0	355.442	1.598	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2ccn(C(C)C)n2)C[C@H]1c1cncn1C	ZINC001131033936	940470315	/nfs/dbraw/zinc/47/03/15/940470315.db2.gz	ZDMFCBGDUBZLLF-QZTJIDSGSA-N	1	0	370.501	1.900	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(=O)NCCC)C1	ZINC001131043598	940472835	/nfs/dbraw/zinc/47/28/35/940472835.db2.gz	BBFXIOZHYVUCPY-HUUCEWRRSA-N	1	0	361.490	1.043	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccnc2OC)C[C@H]1c1cncn1C	ZINC001131060192	940478978	/nfs/dbraw/zinc/47/89/78/940478978.db2.gz	YUAQQSXZAKDDER-HZPDHXFCSA-N	1	0	353.426	1.045	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnn(C)c2)C1	ZINC001131055649	940481662	/nfs/dbraw/zinc/48/16/62/940481662.db2.gz	GOIAFZZODMIKFV-CGTJXYLNSA-N	1	0	370.501	1.840	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@H]1c1cncn1C	ZINC001131055824	940481739	/nfs/dbraw/zinc/48/17/39/940481739.db2.gz	OCDZWRMOHDWURW-IIDMSEBBSA-N	1	0	350.438	1.399	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnnn2C)C1	ZINC001131055826	940481834	/nfs/dbraw/zinc/48/18/34/940481834.db2.gz	OEZAHBBBYKFCKH-DJIMGWMZSA-N	1	0	371.489	1.235	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cncn2C)C1	ZINC001131056029	940481950	/nfs/dbraw/zinc/48/19/50/940481950.db2.gz	UBWSIPVNNQFBHD-CGTJXYLNSA-N	1	0	370.501	1.840	20	30		FDEDRO
CCCC1(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC#CCOC)C2)CC1	ZINC001131072220	940485148	/nfs/dbraw/zinc/48/51/48/940485148.db2.gz	NVKHCOKOBHWKKE-IAGOWNOFSA-N	1	0	358.486	1.534	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]C[C@@H](C)CC)C2)nn1	ZINC001131083863	940489107	/nfs/dbraw/zinc/48/91/07/940489107.db2.gz	FVYONJYMSSSBIA-ARFHVFGLSA-N	1	0	371.489	1.442	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COC2CCOCC2)C[C@H]1c1cncn1C	ZINC001131083975	940489156	/nfs/dbraw/zinc/48/91/56/940489156.db2.gz	GHZLRBXHIXNWKH-IAGOWNOFSA-N	1	0	362.474	1.076	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2ccnc2)C[C@H]1c1cncn1C	ZINC001131079468	940492156	/nfs/dbraw/zinc/49/21/56/940492156.db2.gz	MZHGFFOVVYUZNW-BRWVUGGUSA-N	1	0	354.458	1.175	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]cn2)C[C@H]1c1cncn1C	ZINC001131089681	940495096	/nfs/dbraw/zinc/49/50/96/940495096.db2.gz	UBOFBEWTMOGNGS-KBAYOESNSA-N	1	0	370.501	1.872	20	30		FDEDRO
C[NH+](C)CCN1C(=O)C(=NNC(=S)NCC(F)(F)F)c2ccccc21	ZINC000807967220	940498595	/nfs/dbraw/zinc/49/85/95/940498595.db2.gz	PWYVZEDDFCXEQL-UHFFFAOYSA-N	1	0	373.404	1.325	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc(OC)c2)C[C@H]1c1cncn1C	ZINC001131112474	940498780	/nfs/dbraw/zinc/49/87/80/940498780.db2.gz	DZVSGKFZOOBBIK-QZTJIDSGSA-N	1	0	352.438	1.650	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(CCC)on2)C[C@H]1c1cncn1C	ZINC001131100950	940500062	/nfs/dbraw/zinc/50/00/62/940500062.db2.gz	DRECMNDEEFPGTP-NVXWUHKLSA-N	1	0	355.442	1.582	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn(CC3CC3)c2)C[C@H]1c1cncn1C	ZINC001131105556	940501499	/nfs/dbraw/zinc/50/14/99/940501499.db2.gz	AMHYVYDRIRBNGU-QZTJIDSGSA-N	1	0	368.485	1.801	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCOc2ccccc2)C[C@H]1c1cncn1C	ZINC001131119679	940505617	/nfs/dbraw/zinc/50/56/17/940505617.db2.gz	QCNFITXPUBQYAU-RTBURBONSA-N	1	0	366.465	1.797	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccnc2N(C)C)C[C@H]1c1cncn1C	ZINC001131121060	940506414	/nfs/dbraw/zinc/50/64/14/940506414.db2.gz	KZZHOHUNIRLLPD-IAGOWNOFSA-N	1	0	366.469	1.102	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1cncn1C	ZINC001131128247	940509932	/nfs/dbraw/zinc/50/99/32/940509932.db2.gz	ZIMVTBAVCKPXBX-HUUCEWRRSA-N	1	0	353.898	1.397	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOC(C)C)C1	ZINC001131132774	940512602	/nfs/dbraw/zinc/51/26/02/940512602.db2.gz	QRQBEDSHWKCASN-BRWVUGGUSA-N	1	0	364.490	1.320	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C2CCOCC2)C[C@H]1c1cncn1C	ZINC001131136673	940513712	/nfs/dbraw/zinc/51/37/12/940513712.db2.gz	YILRGJATRBBSBY-CGTJXYLNSA-N	1	0	358.486	1.390	20	30		FDEDRO
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1	ZINC000805304633	940527130	/nfs/dbraw/zinc/52/71/30/940527130.db2.gz	RFOOLERIXHWVTN-AZUAARDMSA-N	1	0	356.514	1.946	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cn(C)nc3C)C2)C1=O	ZINC001086661201	940533396	/nfs/dbraw/zinc/53/33/96/940533396.db2.gz	DQSHAEMKIFWSHO-ZMSDIMECSA-N	1	0	359.474	1.004	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(F)nc3)C2)C1=O	ZINC001086661249	940533644	/nfs/dbraw/zinc/53/36/44/940533644.db2.gz	GWSGOVSHKYXVIT-NUEKZKHPSA-N	1	0	360.433	1.496	20	30		FDEDRO
Cc1c(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3F)C2)nnn1C	ZINC001086663520	940540583	/nfs/dbraw/zinc/54/05/83/940540583.db2.gz	UCTYZAGVHLLXAM-GOEBONIOSA-N	1	0	370.432	1.823	20	30		FDEDRO
C[NH+](C)CCOc1ccc(/C=C/C(=O)NC2CCN(CC#N)CC2)cc1	ZINC000808380730	940543601	/nfs/dbraw/zinc/54/36/01/940543601.db2.gz	JPCOTUODHWSWDY-VMPITWQZSA-N	1	0	356.470	1.744	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ccoc2)C1	ZINC001131298093	940545192	/nfs/dbraw/zinc/54/51/92/940545192.db2.gz	SUNRCCJQWXAUFW-BBWFWOEESA-N	1	0	359.426	1.965	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCC)C[C@H]32)C1	ZINC001131304615	940548164	/nfs/dbraw/zinc/54/81/64/940548164.db2.gz	OOBCXLHQCVUPQV-BBWFWOEESA-N	1	0	365.474	1.485	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)COCCC)C1	ZINC001131307036	940548912	/nfs/dbraw/zinc/54/89/12/940548912.db2.gz	GZQVIYPZDKQKFO-XHSDSOJGSA-N	1	0	351.447	1.095	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)COC(C)C)C1	ZINC001131307578	940549305	/nfs/dbraw/zinc/54/93/05/940549305.db2.gz	XMBRAAVTIDUNOL-ZACQAIPSSA-N	1	0	365.474	1.484	20	30		FDEDRO
C#CCCCCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CC(C)C)C[C@H]32)C1	ZINC001131310018	940549740	/nfs/dbraw/zinc/54/97/40/940549740.db2.gz	FGHDNPZPUFAONX-KURKYZTESA-N	1	0	361.486	1.942	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCC)C[C@H]32)C1	ZINC001131323142	940551867	/nfs/dbraw/zinc/55/18/67/940551867.db2.gz	QSESGNXHIXPJNH-XHSDSOJGSA-N	1	0	351.447	1.095	20	30		FDEDRO
CN1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)C1	ZINC001086664898	940552106	/nfs/dbraw/zinc/55/21/06/940552106.db2.gz	ICRBZASCZQUUCL-KFKAGJAMSA-N	1	0	356.470	1.263	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cnccc3C)C2)C1=O	ZINC001086665065	940552409	/nfs/dbraw/zinc/55/24/09/940552409.db2.gz	OYZHDDGLFUJBSM-JZXOWHBKSA-N	1	0	356.470	1.665	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)nn1	ZINC001086668524	940563142	/nfs/dbraw/zinc/56/31/42/940563142.db2.gz	RRLFPTYDLOROKL-GXTWGEPZSA-N	1	0	354.414	1.373	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C(N)=O)cc3)C2)c1	ZINC001086668023	940565247	/nfs/dbraw/zinc/56/52/47/940565247.db2.gz	DVOHKONTXXAWQJ-WMLDXEAASA-N	1	0	365.437	1.674	20	30		FDEDRO
COc1cncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n1	ZINC001086669003	940596017	/nfs/dbraw/zinc/59/60/17/940596017.db2.gz	JJNHIHZWLNWXKD-GXTWGEPZSA-N	1	0	354.414	1.373	20	30		FDEDRO
C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cncn2C)CC1	ZINC001131454035	940607776	/nfs/dbraw/zinc/60/77/76/940607776.db2.gz	JMNXJWHKCNMLJE-MJGOQNOKSA-N	1	0	362.474	1.108	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)CC)CC1	ZINC001131454253	940608386	/nfs/dbraw/zinc/60/83/86/940608386.db2.gz	SGBPZLNLAYEJJG-PBHICJAKSA-N	1	0	357.882	1.251	20	30		FDEDRO
C=CCOCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1	ZINC001131467496	940623540	/nfs/dbraw/zinc/62/35/40/940623540.db2.gz	BXQRLFSHAXPNCY-MJGOQNOKSA-N	1	0	354.491	1.337	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2=CCCC2)CC1	ZINC001131467608	940623950	/nfs/dbraw/zinc/62/39/50/940623950.db2.gz	HOBJMGQAWMRCCD-MJGOQNOKSA-N	1	0	361.486	1.385	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)/C(C)=C\C)CC1	ZINC001131467660	940624101	/nfs/dbraw/zinc/62/41/01/940624101.db2.gz	JMOYWWVNKWWOHL-KWBLMNONSA-N	1	0	361.486	1.076	20	30		FDEDRO
C#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(=O)N(C)C)CC1	ZINC001131487802	940631372	/nfs/dbraw/zinc/63/13/72/940631372.db2.gz	GOWKVWLGSOSQKT-SUMDDJOVSA-N	1	0	363.502	1.252	20	30		FDEDRO
C#CCOCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCC)CC1	ZINC001131498977	940649770	/nfs/dbraw/zinc/64/97/70/940649770.db2.gz	WVWXMNHCFGBXPM-MJGOQNOKSA-N	1	0	352.475	1.049	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCC=C)CC1	ZINC001131503151	940653617	/nfs/dbraw/zinc/65/36/17/940653617.db2.gz	UIXCCZLWQMDYEP-UHOSZYNNSA-N	1	0	364.486	1.213	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCNC2=O)CC1	ZINC001131515317	940679626	/nfs/dbraw/zinc/67/96/26/940679626.db2.gz	CWZSEKVRXWBDPY-KSZLIROESA-N	1	0	363.502	1.465	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)COC)CC1	ZINC001131533486	940704269	/nfs/dbraw/zinc/70/42/69/940704269.db2.gz	HKQBTKZIXPWRKR-MSOLQXFVSA-N	1	0	366.502	1.295	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)C=C)CC1	ZINC001131541410	940715773	/nfs/dbraw/zinc/71/57/73/940715773.db2.gz	NDPPTAIXPAWJHA-AEFFLSMTSA-N	1	0	363.502	1.487	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCNC(=O)C3)C2)c1	ZINC001086671351	940728041	/nfs/dbraw/zinc/72/80/41/940728041.db2.gz	UVZMMFHWSQGOOV-RCCFBDPRSA-N	1	0	354.454	1.459	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCNC(=O)C2)C1	ZINC001086671076	940733874	/nfs/dbraw/zinc/73/38/74/940733874.db2.gz	KEDASLGZRVTDMK-YNEHKIRRSA-N	1	0	358.280	1.296	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(C(N)=O)co2)CC1	ZINC001131561987	940735637	/nfs/dbraw/zinc/73/56/37/940735637.db2.gz	JEFYCNFZSIGUHO-WBVHZDCISA-N	1	0	359.426	1.001	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@]2(C)CCNC2=O)CC1	ZINC001131562369	940735927	/nfs/dbraw/zinc/73/59/27/940735927.db2.gz	RGOJSZDINLTZBA-FUHIMQAGSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NCC)CC1	ZINC001131549936	940738638	/nfs/dbraw/zinc/73/86/38/940738638.db2.gz	HDNQCHWJGWSJAS-SUMDDJOVSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2nnc[nH]2)CC1	ZINC001131590629	940760258	/nfs/dbraw/zinc/76/02/58/940760258.db2.gz	LUWGIFAQTSMFBC-GMBSWORKSA-N	1	0	361.490	1.688	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2nonc2C)CC1	ZINC001131585532	940771380	/nfs/dbraw/zinc/77/13/80/940771380.db2.gz	ZCFPVPDLLOGVQP-APWZRJJASA-N	1	0	362.474	1.872	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCS2(=O)=O)CC1	ZINC001131606689	940775848	/nfs/dbraw/zinc/77/58/48/940775848.db2.gz	AGYLSPNQPSNNKQ-ZACQAIPSSA-N	1	0	370.515	1.125	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(C#C)nc2)CC1	ZINC001131596979	940780280	/nfs/dbraw/zinc/78/02/80/940780280.db2.gz	DYBAJTBNPIUZAE-UXHICEINSA-N	1	0	351.450	1.686	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCC(=O)NCC)CC1	ZINC001131599864	940783618	/nfs/dbraw/zinc/78/36/18/940783618.db2.gz	OKBAOESJXGVISF-APWZRJJASA-N	1	0	351.491	1.465	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2cnn(C)c2)CC1	ZINC001131608570	940788482	/nfs/dbraw/zinc/78/84/82/940788482.db2.gz	GLLYJTZNNYBIGR-QUCCMNQESA-N	1	0	358.486	1.362	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCn2ccnc2)CC1	ZINC001131610526	940790393	/nfs/dbraw/zinc/79/03/93/940790393.db2.gz	VHTPQQOOTPNLJN-QUCCMNQESA-N	1	0	358.486	1.672	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCOCC)CC1	ZINC001131612247	940792053	/nfs/dbraw/zinc/79/20/53/940792053.db2.gz	FARYLUUGEKONMP-QRQLOZEOSA-N	1	0	368.518	1.990	20	30		FDEDRO
C#CCOc1ccccc1C[N@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1	ZINC000809784189	940902248	/nfs/dbraw/zinc/90/22/48/940902248.db2.gz	IBEOCFORARWAFU-INIZCTEOSA-N	1	0	362.495	1.992	20	30		FDEDRO
N#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C(N)=O)c3)C2)[nH]1	ZINC001086676335	940933465	/nfs/dbraw/zinc/93/34/65/940933465.db2.gz	UOIWCNISCZCZOV-GOEBONIOSA-N	1	0	365.437	1.674	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1)c1nnnn1C1CC1	ZINC001086676498	940948769	/nfs/dbraw/zinc/94/87/69/940948769.db2.gz	GRVQZHKQRDLKIY-SGMGOOAPSA-N	1	0	368.445	1.457	20	30		FDEDRO
Cn1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)cc1=O	ZINC001086676487	940948873	/nfs/dbraw/zinc/94/88/73/940948873.db2.gz	GFASUFSKQSYMOT-XJKSGUPXSA-N	1	0	353.426	1.273	20	30		FDEDRO
N#Cc1csc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)n1	ZINC000810144218	940959223	/nfs/dbraw/zinc/95/92/23/940959223.db2.gz	UIMFACWRJYKEPM-UHFFFAOYSA-N	1	0	368.406	1.666	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3nccn3CC)C2)C1=O	ZINC001086685491	941070445	/nfs/dbraw/zinc/07/04/45/941070445.db2.gz	JZVRBVZKFCMJSM-ARFHVFGLSA-N	1	0	359.474	1.178	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cn(C)nn2)C1	ZINC001086687159	941076452	/nfs/dbraw/zinc/07/64/52/941076452.db2.gz	CFXFMKXGVMDWMS-GOEBONIOSA-N	1	0	368.441	1.384	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1	ZINC000747818269	941273372	/nfs/dbraw/zinc/27/33/72/941273372.db2.gz	LKEVAVAHFQWHRB-BATSVXPKSA-N	1	0	372.513	1.767	20	30		FDEDRO
C#CCNC(=O)C1CCN(CC(=O)N2CCC(c3ccccc3)=N2)CC1	ZINC000747822815	941279560	/nfs/dbraw/zinc/27/95/60/941279560.db2.gz	GMABCUZKCDOHSW-UHFFFAOYSA-N	1	0	352.438	1.084	20	30		FDEDRO
C[C@H](CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)[NH+]1CCCCC1	ZINC000813595392	941412871	/nfs/dbraw/zinc/41/28/71/941412871.db2.gz	WEIJBPYFDBDZBZ-NVXWUHKLSA-N	1	0	357.458	1.990	20	30		FDEDRO
C[NH+](C)C[C@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)c1ccc(F)cc1	ZINC000813618607	941422940	/nfs/dbraw/zinc/42/29/40/941422940.db2.gz	NGDWJIUQFBYSMH-IJYGLTAASA-N	1	0	374.416	1.461	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1c2ccccc2C[C@H]1C	ZINC001134054481	941531054	/nfs/dbraw/zinc/53/10/54/941531054.db2.gz	KZITZOROZPCTSM-KYJSFNMBSA-N	1	0	357.454	1.261	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N[C@@H](C)c1cccs1	ZINC001134054345	941531064	/nfs/dbraw/zinc/53/10/64/941531064.db2.gz	GJASBGMUAXMYNR-MJBXVCDLSA-N	1	0	351.472	1.222	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccc(C)cc1Cl	ZINC001134049769	941538069	/nfs/dbraw/zinc/53/80/69/941538069.db2.gz	NYMDEVOHDUOACH-CJNGLKHVSA-N	1	0	365.861	1.884	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cccnc1	ZINC001134145369	941576151	/nfs/dbraw/zinc/57/61/51/941576151.db2.gz	WKPVCKHXWBSFAE-BPQIPLTHSA-N	1	0	358.486	1.704	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2ccccc2=O)C1	ZINC001195293740	970827789	/nfs/dbraw/zinc/82/77/89/970827789.db2.gz	DLYSKPCIHVSPHC-QZTJIDSGSA-N	1	0	361.486	1.536	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NCCCNc2ccc(C)cn2)CC1	ZINC000747980019	941727037	/nfs/dbraw/zinc/72/70/37/941727037.db2.gz	OZEOXKSORGLMTG-UHFFFAOYSA-N	1	0	357.458	1.363	20	30		FDEDRO
CC(C)COC(=O)N1CCC(=NNC(=S)NCCC[NH+](C)C)CC1	ZINC000814845066	941731011	/nfs/dbraw/zinc/73/10/11/941731011.db2.gz	FKLBKNGOVBQSLL-UHFFFAOYSA-N	1	0	357.524	1.647	20	30		FDEDRO
C#CC[N@@H+](C)CCCNc1ccc(S(=O)(=O)N[C@@H](C)CCC)cn1	ZINC000814928948	941740281	/nfs/dbraw/zinc/74/02/81/941740281.db2.gz	CMVQPYIDXDVJBQ-HNNXBMFYSA-N	1	0	352.504	1.916	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@H]1CCN(CC)[C@H]1c1cc(F)c(F)c(F)c1	ZINC000815111715	941780050	/nfs/dbraw/zinc/78/00/50/941780050.db2.gz	FRSRRTSYCSNVAS-YJBOKZPZSA-N	1	0	353.388	1.968	20	30		FDEDRO
C#CCNC(=O)CC[N@@H+]1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000815107895	941785098	/nfs/dbraw/zinc/78/50/98/941785098.db2.gz	DVLUQFGVPGLGBU-GOSISDBHSA-N	1	0	357.454	1.764	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC1CCCCC1	ZINC001135058401	941874255	/nfs/dbraw/zinc/87/42/55/941874255.db2.gz	ORTHTPYGDXQIHE-WMZOPIPTSA-N	1	0	351.491	1.512	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCO[C@H]1c1ccc(C)cc1	ZINC001135102707	941905722	/nfs/dbraw/zinc/90/57/22/941905722.db2.gz	LKJGPBPYLCPHFD-MJGOQNOKSA-N	1	0	359.470	1.471	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N[C@@H](C)CCC(C)C	ZINC001135147486	941942318	/nfs/dbraw/zinc/94/23/18/941942318.db2.gz	JEENTCANGCRDKK-BQFCYCMXSA-N	1	0	353.507	1.614	20	30		FDEDRO
CN1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)CC1=O	ZINC001086735021	942095884	/nfs/dbraw/zinc/09/58/84/942095884.db2.gz	DCMJRUYYKGJUHM-GBESFXJTSA-N	1	0	368.481	1.801	20	30		FDEDRO
C=CCOc1ccccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1	ZINC001086735612	942101739	/nfs/dbraw/zinc/10/17/39/942101739.db2.gz	FRPYXNDWAOVVGZ-DLBZAZTESA-N	1	0	371.481	1.972	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn3c(n1)C[C@H](OC)CC3)C2	ZINC001110705857	970879276	/nfs/dbraw/zinc/87/92/76/970879276.db2.gz	KZAMOIBXRZCWHD-KONPQCLYSA-N	1	0	374.485	1.382	20	30		FDEDRO
CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](C[NH2+]CC(C)(C)C#N)C1	ZINC000816568673	942264886	/nfs/dbraw/zinc/26/48/86/942264886.db2.gz	NGYQWNXELVXJDH-AWEZNQCLSA-N	1	0	352.479	1.889	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@](C(=O)OC)(c3ccccc3)C2)CC1	ZINC000816826005	942357651	/nfs/dbraw/zinc/35/76/51/942357651.db2.gz	UAFCFNAHZRJGES-NRFANRHFSA-N	1	0	354.450	1.675	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3c(C)cncc3C)C2)C1=O	ZINC001086757574	942363997	/nfs/dbraw/zinc/36/39/97/942363997.db2.gz	IMHKJEXLEJMGNZ-RCCFBDPRSA-N	1	0	370.497	1.973	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2coc(C(N)=O)c2)C1	ZINC001086766472	942426490	/nfs/dbraw/zinc/42/64/90/942426490.db2.gz	RWOMISKJZXPOFV-SUMWQHHRSA-N	1	0	366.421	1.938	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CCN(c3cnccc3C#N)CC2)C1	ZINC000816994122	942435248	/nfs/dbraw/zinc/43/52/48/942435248.db2.gz	GPDBSADYSLIWBM-IBGZPJMESA-N	1	0	359.449	1.814	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3C3CC3)C2)c1	ZINC001086798205	942604807	/nfs/dbraw/zinc/60/48/07/942604807.db2.gz	BELHUYJPIDLRNN-GOEBONIOSA-N	1	0	365.441	1.073	20	30		FDEDRO
C#C[C@H](NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)C1CCOCC1	ZINC000856119740	970924161	/nfs/dbraw/zinc/92/41/61/970924161.db2.gz	VXQUVVNUAPFUJB-UFYCRDLUSA-N	1	0	372.513	1.779	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)c(F)c1	ZINC001086804482	942764496	/nfs/dbraw/zinc/76/44/96/942764496.db2.gz	NZWPRKUMEMNZHB-XZDPQHSOSA-N	1	0	358.417	1.193	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1cccc(S(=O)(=O)C(F)F)c1	ZINC000817522792	942810669	/nfs/dbraw/zinc/81/06/69/942810669.db2.gz	RQWOBGBPACFRFM-UHFFFAOYSA-N	1	0	373.425	1.990	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)c1	ZINC000817842342	943004767	/nfs/dbraw/zinc/00/47/67/943004767.db2.gz	YPPRDHMHURPCBR-UHFFFAOYSA-N	1	0	363.461	1.705	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1	ZINC000817843960	943007688	/nfs/dbraw/zinc/00/76/88/943007688.db2.gz	NCRLYONHTVKUAY-IBGZPJMESA-N	1	0	353.466	1.474	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)c1	ZINC000817843865	943008113	/nfs/dbraw/zinc/00/81/13/943008113.db2.gz	KBEZFIDOYDUDAF-UHFFFAOYSA-N	1	0	355.482	1.865	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)c1	ZINC000817845375	943008152	/nfs/dbraw/zinc/00/81/52/943008152.db2.gz	DVLCKCXQKRBMLV-UHFFFAOYSA-N	1	0	371.481	1.243	20	30		FDEDRO
N#Cc1cc(N[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)ccc1N1CCC(O)CC1	ZINC000817920565	943077855	/nfs/dbraw/zinc/07/78/55/943077855.db2.gz	PRFBXEDTHRLUAO-PMACEKPBSA-N	1	0	356.470	1.698	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]([NH3+])C2CCC2)cc1	ZINC000817923303	943079902	/nfs/dbraw/zinc/07/99/02/943079902.db2.gz	WPSHCVURMIXQSG-UKEODDKASA-N	1	0	364.471	1.565	20	30		FDEDRO
C=CCCN(OCc1ccccc1)C(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1	ZINC000817985666	943118637	/nfs/dbraw/zinc/11/86/37/943118637.db2.gz	MSRYNBKJLLFDKY-SJLPKXTDSA-N	1	0	359.470	1.966	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@]12C[C@H]1COC2	ZINC001170887203	943163181	/nfs/dbraw/zinc/16/31/81/943163181.db2.gz	BTFMGFDQCHXWKG-BXWFABGCSA-N	1	0	364.490	1.050	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl	ZINC000818224130	943200831	/nfs/dbraw/zinc/20/08/31/943200831.db2.gz	DMDGRNJOAGIBGJ-YDHLFZDLSA-N	1	0	373.906	1.885	20	30		FDEDRO
CC[NH2+]CC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1	ZINC000818466423	943269563	/nfs/dbraw/zinc/26/95/63/943269563.db2.gz	UUIAWWUUDRSHEP-SILNSSARSA-N	1	0	366.487	1.828	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1	ZINC000818593146	943323689	/nfs/dbraw/zinc/32/36/89/943323689.db2.gz	NTSUUZOZJKXBTK-LJQANCHMSA-N	1	0	355.482	1.539	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1	ZINC000818595909	943326781	/nfs/dbraw/zinc/32/67/81/943326781.db2.gz	RZOYTACOKCITFS-UHFFFAOYSA-N	1	0	354.454	1.858	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1	ZINC000818602886	943328625	/nfs/dbraw/zinc/32/86/25/943328625.db2.gz	IXJMAOIYTUMIND-GOSISDBHSA-N	1	0	373.472	1.678	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(-n3cncn3)nc2)cc1	ZINC000818959612	943366275	/nfs/dbraw/zinc/36/62/75/943366275.db2.gz	OVQMHJJMSKLHKN-KRWDZBQOSA-N	1	0	364.409	1.258	20	30		FDEDRO
CN(CC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C(=O)OC(C)(C)C	ZINC000819004900	943380793	/nfs/dbraw/zinc/38/07/93/943380793.db2.gz	GEEULJXUSFLTDM-UHFFFAOYSA-N	1	0	367.471	1.788	20	30		FDEDRO
C[N@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CC[C@H](C#N)C1	ZINC001195487772	970987523	/nfs/dbraw/zinc/98/75/23/970987523.db2.gz	KUGJVFOFWKMOOC-QWHCGFSZSA-N	1	0	352.416	1.497	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)cc1	ZINC000819060833	943399988	/nfs/dbraw/zinc/39/99/88/943399988.db2.gz	IOORQHIHVDZRES-PZJWPPBQSA-N	1	0	373.497	1.725	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC[C@@H]3CCOC3)C2)nn1	ZINC001086825070	943438033	/nfs/dbraw/zinc/43/80/33/943438033.db2.gz	OXPFDSJZKLWNTJ-IXDOHACOSA-N	1	0	361.490	1.769	20	30		FDEDRO
C[C@H]1COCCN1CCNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C	ZINC000819242183	943478926	/nfs/dbraw/zinc/47/89/26/943478926.db2.gz	CAAAJJMYKZNGPG-LSDHHAIUSA-N	1	0	368.478	1.410	20	30		FDEDRO
Cc1cc(C)c(N2CC[C@@H]([NH2+]C[C@@H](O)CN(C)CCC#N)C2=O)c(C)c1	ZINC000819257102	943485468	/nfs/dbraw/zinc/48/54/68/943485468.db2.gz	AONJOXKUIAGLKL-QZTJIDSGSA-N	1	0	358.486	1.513	20	30		FDEDRO
COc1ccc(C2=NO[C@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)C2)cc1C	ZINC000819293192	943505811	/nfs/dbraw/zinc/50/58/11/943505811.db2.gz	PTYZVQHLJLKFSH-SJORKVTESA-N	1	0	360.458	1.293	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCC(=O)OC2CCCCC2)nc1	ZINC000819294777	943506763	/nfs/dbraw/zinc/50/67/63/943506763.db2.gz	OEMXAAZGEIXFDB-UHFFFAOYSA-N	1	0	365.455	1.583	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCc2cnn(C)c2)C1	ZINC001086826266	943509911	/nfs/dbraw/zinc/50/99/11/943509911.db2.gz	GOJPJXHYWDWERX-NQYYFHDYSA-N	1	0	360.502	1.818	20	30		FDEDRO
Cn1ncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(C#N)ccc3F)C2)n1	ZINC001086827819	943579039	/nfs/dbraw/zinc/57/90/39/943579039.db2.gz	LROZOVCHCCDPKW-DZGCQCFKSA-N	1	0	356.405	1.514	20	30		FDEDRO
COCCCn1c(=O)c2ccccc2nc1N=NC1CC[NH+](CCO)CC1	ZINC000819803542	943747201	/nfs/dbraw/zinc/74/72/01/943747201.db2.gz	RETGIUKSKKSVQG-UHFFFAOYSA-N	1	0	373.457	1.289	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N2C(C)C)C1	ZINC001195572829	971044618	/nfs/dbraw/zinc/04/46/18/971044618.db2.gz	GQQCWJMBMNNGIK-IXDOHACOSA-N	1	0	353.507	1.518	20	30		FDEDRO
C[C@H](C(=O)N[C@H]1CCCN(O)C1=O)[NH+]1CCC(Cc2ccccc2)CC1	ZINC000820482189	944066508	/nfs/dbraw/zinc/06/65/08/944066508.db2.gz	FPYMOQQFEFZPRP-QAPCUYQASA-N	1	0	359.470	1.826	20	30		FDEDRO
Cc1c(Br)cnn1CC(=O)N(CCC#N)CCC[NH+](C)C	ZINC001136411197	944321157	/nfs/dbraw/zinc/32/11/57/944321157.db2.gz	DLQTUTJQUTVJAT-UHFFFAOYSA-N	1	0	356.268	1.648	20	30		FDEDRO
CON=C(C(=O)N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1)c1csc(N)n1	ZINC000821895375	944733065	/nfs/dbraw/zinc/73/30/65/944733065.db2.gz	UVWQTFDMJHCKDD-NEPJUHHUSA-N	1	0	369.516	1.114	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1	ZINC000821920273	944760458	/nfs/dbraw/zinc/76/04/58/944760458.db2.gz	QPPPFKCFIGWOBB-HUUCEWRRSA-N	1	0	362.474	1.738	20	30		FDEDRO
C[NH+](C)CCSc1nc(CC(=O)N[C@@]2(C#N)CCSC2)cs1	ZINC001136560512	944907778	/nfs/dbraw/zinc/90/77/78/944907778.db2.gz	PHSRVYABCLEVJV-CQSZACIVSA-N	1	0	356.542	1.855	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccncc1	ZINC000805811863	945425138	/nfs/dbraw/zinc/42/51/38/945425138.db2.gz	WCMMDJSMLXYBFK-MSOLQXFVSA-N	1	0	356.470	1.902	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1	ZINC000823232339	945585089	/nfs/dbraw/zinc/58/50/89/945585089.db2.gz	RFFSVVCGISJGOG-INIZCTEOSA-N	1	0	357.454	1.167	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H](C)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)n1	ZINC001090723809	945986034	/nfs/dbraw/zinc/98/60/34/945986034.db2.gz	SVZNNDUBOXFUSY-NVXWUHKLSA-N	1	0	370.501	1.728	20	30		FDEDRO
C[C@@H]1C[NH+](CCCNC(=O)NCc2cccc(OCC#N)c2)C[C@@H](C)O1	ZINC000113372958	945994953	/nfs/dbraw/zinc/99/49/53/945994953.db2.gz	VRZIOCFIIPIOPU-HZPDHXFCSA-N	1	0	360.458	1.887	20	30		FDEDRO
CCOC(=O)[C@@H]1C[C@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000824115584	946241000	/nfs/dbraw/zinc/24/10/00/946241000.db2.gz	VIJKZJIWZLQLTR-QZTJIDSGSA-N	1	0	355.438	1.838	20	30		FDEDRO
C=CCN1CC[C@@H](N2CC[C@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)C1=O	ZINC000856584981	971235506	/nfs/dbraw/zinc/23/55/06/971235506.db2.gz	WIWXOCJIGMJEPC-RBUKOAKNSA-N	1	0	358.486	1.773	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@H](C)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1	ZINC000823850799	946490233	/nfs/dbraw/zinc/49/02/33/946490233.db2.gz	UGYORJGHLPALFZ-CQSZACIVSA-N	1	0	360.421	1.934	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)c2ccc(Cl)cc2)C1	ZINC001195800169	971239733	/nfs/dbraw/zinc/23/97/33/971239733.db2.gz	LRTFPRQDSPFTLX-IAGOWNOFSA-N	1	0	366.889	1.982	20	30		FDEDRO
C[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C	ZINC001090780753	946577972	/nfs/dbraw/zinc/57/79/72/946577972.db2.gz	PKMNAVCOFIPSJZ-IRUJWGPZSA-N	1	0	367.906	1.949	20	30		FDEDRO
C#CCN(C(=O)[C@@H](C)CC)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1	ZINC001573281589	946677241	/nfs/dbraw/zinc/67/72/41/946677241.db2.gz	ABYOIMDVOBFKOA-AWEZNQCLSA-N	1	0	367.457	1.738	20	30		FDEDRO
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1	ZINC001090788280	946694129	/nfs/dbraw/zinc/69/41/29/946694129.db2.gz	NFIOXVGNPYRUQH-RHSMWYFYSA-N	1	0	370.501	1.942	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]21	ZINC001573282766	946698222	/nfs/dbraw/zinc/69/82/22/946698222.db2.gz	NXUHLBOZSSFGKM-VHDGCEQUSA-N	1	0	353.430	1.048	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)[C@@H](C)C1	ZINC001573283235	946711045	/nfs/dbraw/zinc/71/10/45/946711045.db2.gz	GGWGEVKDORKTIB-YJBOKZPZSA-N	1	0	366.469	1.997	20	30		FDEDRO
C#CCCCC(=O)N[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1	ZINC001573284534	946749627	/nfs/dbraw/zinc/74/96/27/946749627.db2.gz	FXZWUFZRJXMMBZ-KRWDZBQOSA-N	1	0	352.442	1.655	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1	ZINC001090796022	946781160	/nfs/dbraw/zinc/78/11/60/946781160.db2.gz	MAQJIWNUUASRPT-GDBMZVCRSA-N	1	0	356.474	1.554	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000824935286	946885336	/nfs/dbraw/zinc/88/53/36/946885336.db2.gz	QTWJEQUJNIPSED-OLMNPRSZSA-N	1	0	370.453	1.057	20	30		FDEDRO
CCc1noc(C[C@]2(O)CCC[N@H+](CCOc3cccc(C#N)c3)C2)n1	ZINC000856671534	971296991	/nfs/dbraw/zinc/29/69/91/971296991.db2.gz	MIQFEPKANDPJEM-LJQANCHMSA-N	1	0	356.426	1.952	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)c1	ZINC001573291798	946922791	/nfs/dbraw/zinc/92/27/91/946922791.db2.gz	IWLTYVUAJUYABL-SFHVURJKSA-N	1	0	373.420	1.247	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C(C)(C)C1	ZINC001573560557	946953237	/nfs/dbraw/zinc/95/32/37/946953237.db2.gz	DIMKVUPJVFZZPT-DOMZBBRYSA-N	1	0	353.430	1.353	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C(C)(C)C1	ZINC001573560907	946958599	/nfs/dbraw/zinc/95/85/99/946958599.db2.gz	HZZWHLYTBSDYJF-ABAIWWIYSA-N	1	0	371.420	1.492	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]21	ZINC001573294053	946974068	/nfs/dbraw/zinc/97/40/68/946974068.db2.gz	SHKDUMIGKRSZTC-NWANDNLSSA-N	1	0	355.446	1.601	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)C1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1	ZINC001573562717	946978723	/nfs/dbraw/zinc/97/87/23/946978723.db2.gz	WPJWIKTVUKDNNB-GFCCVEGCSA-N	1	0	371.420	1.588	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573564683	946995065	/nfs/dbraw/zinc/99/50/65/946995065.db2.gz	KACQLOVWAAMCDW-VXGBXAGGSA-N	1	0	357.393	1.104	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573564784	946996624	/nfs/dbraw/zinc/99/66/24/946996624.db2.gz	KSHSPNZMMMAZMS-XIKOKIGWSA-N	1	0	371.420	1.494	20	30		FDEDRO
C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1	ZINC001573295543	947024187	/nfs/dbraw/zinc/02/41/87/947024187.db2.gz	REHGBUJYAHJYSC-CYBMUJFWSA-N	1	0	361.837	1.532	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1	ZINC001573566899	947032074	/nfs/dbraw/zinc/03/20/74/947032074.db2.gz	HHNUXXKMZSRRID-JSGCOSHPSA-N	1	0	371.420	1.636	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573296097	947037977	/nfs/dbraw/zinc/03/79/77/947037977.db2.gz	ZEDQKBXSQIBEGE-BXUZGUMPSA-N	1	0	363.853	1.920	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573296100	947041378	/nfs/dbraw/zinc/04/13/78/947041378.db2.gz	ZEDQKBXSQIBEGE-SMDDNHRTSA-N	1	0	363.853	1.920	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573568142	947067522	/nfs/dbraw/zinc/06/75/22/947067522.db2.gz	YHHSUXYDFWATAR-XOKHGSTOSA-N	1	0	365.441	1.592	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21	ZINC001573570084	947082789	/nfs/dbraw/zinc/08/27/89/947082789.db2.gz	KIDULKQKZSTOBE-UHOFOFEASA-N	1	0	351.414	1.059	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001573570150	947082952	/nfs/dbraw/zinc/08/29/52/947082952.db2.gz	LFMFBSWDQFHULQ-FMKPAKJESA-N	1	0	367.457	1.743	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H](C)[C@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)n1	ZINC001090842282	947097723	/nfs/dbraw/zinc/09/77/23/947097723.db2.gz	LVKFXMVNZZFKHP-DJIMGWMZSA-N	1	0	370.501	1.726	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@]1(C)CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573571898	947104613	/nfs/dbraw/zinc/10/46/13/947104613.db2.gz	BIQGALBEJMESAI-APPDUMDISA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC1(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCCC1	ZINC001573572461	947112909	/nfs/dbraw/zinc/11/29/09/947112909.db2.gz	IFQBXJYMRZTUNM-ZDUSSCGKSA-N	1	0	353.430	1.545	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)C(C)(C)C	ZINC001573572485	947115378	/nfs/dbraw/zinc/11/53/78/947115378.db2.gz	IUHURBMVCHSJLZ-WFASDCNBSA-N	1	0	355.446	1.647	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CC1(C)C	ZINC001573574002	947125382	/nfs/dbraw/zinc/12/53/82/947125382.db2.gz	QGLPVOHAOHZOEG-BXUZGUMPSA-N	1	0	373.486	1.805	20	30		FDEDRO
C[C@H](C#N)C(=O)NC1(C[NH2+]Cc2ccccc2-c2nn[nH]n2)CCCC1	ZINC001573574412	947130987	/nfs/dbraw/zinc/13/09/87/947130987.db2.gz	RRNNZFDCMNSXMY-CYBMUJFWSA-N	1	0	353.430	1.545	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CC1	ZINC001573575331	947136482	/nfs/dbraw/zinc/13/64/82/947136482.db2.gz	XBZMPVUSUBFVLP-MEBBXXQBSA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C(C)(C)C	ZINC001573575560	947138307	/nfs/dbraw/zinc/13/83/07/947138307.db2.gz	YXBHLYDONJXQDY-ABAIWWIYSA-N	1	0	373.436	1.786	20	30		FDEDRO
CC(C)[C@H](CNC(=O)[C@@H](C)C#N)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F	ZINC001573576308	947152335	/nfs/dbraw/zinc/15/23/35/947152335.db2.gz	GUFCHFNWUDTONH-NHYWBVRUSA-N	1	0	359.409	1.396	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1	ZINC001573305596	947156091	/nfs/dbraw/zinc/15/60/91/947156091.db2.gz	SBSFLWVYOBBQEO-DZGCQCFKSA-N	1	0	369.473	1.935	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@@]1(C)CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573577133	947161729	/nfs/dbraw/zinc/16/17/29/947161729.db2.gz	MPRGKCGOMOFNIY-YVEFUNNKSA-N	1	0	354.418	1.144	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@]1(C)CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573578007	947178414	/nfs/dbraw/zinc/17/84/14/947178414.db2.gz	XDTCKROFTXVHQC-LIRRHRJNSA-N	1	0	367.457	1.745	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H](C)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1	ZINC001573585331	947252576	/nfs/dbraw/zinc/25/25/76/947252576.db2.gz	ORVTWHHGGHZBOO-RYUDHWBXSA-N	1	0	354.418	1.142	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573585603	947262405	/nfs/dbraw/zinc/26/24/05/947262405.db2.gz	SRRQMXOHXIVAOC-DAXOMENPSA-N	1	0	353.430	1.543	20	30		FDEDRO
C=CCCC(=O)NCC1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1	ZINC001573327264	947388433	/nfs/dbraw/zinc/38/84/33/947388433.db2.gz	BJCCQRZUAIMRRW-UHFFFAOYSA-N	1	0	355.446	1.869	20	30		FDEDRO
C=CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1	ZINC001573334177	947448629	/nfs/dbraw/zinc/44/86/29/947448629.db2.gz	AGVPSXHHXIJXNQ-HDJSIYSDSA-N	1	0	357.462	1.897	20	30		FDEDRO
C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1[C@H](O)CCN1Cc1ccccc1)C(=O)OCC	ZINC001143676303	947453149	/nfs/dbraw/zinc/45/31/49/947453149.db2.gz	MZUDTXMSFLEGMQ-PDOICOKGSA-N	1	0	358.438	1.246	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2ccnn2C)C[C@H]1c1ccc(OC)cc1	ZINC001090871984	947462776	/nfs/dbraw/zinc/46/27/76/947462776.db2.gz	BFRBSZDEAIRQIN-ZYSHUDEJSA-N	1	0	366.465	1.750	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c(C)nnn2CC)C[C@H]1c1ccc(OC)cc1	ZINC001090874884	947484104	/nfs/dbraw/zinc/48/41/04/947484104.db2.gz	WVOATMGJOYQDHM-ZWKOTPCHSA-N	1	0	369.469	1.999	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1c1ccc(OC)cc1	ZINC001090880745	947595160	/nfs/dbraw/zinc/59/51/60/947595160.db2.gz	IPDYMUDQUGNXOP-SQGPQFPESA-N	1	0	357.454	1.291	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)nn2)C[C@H]1c1ccc(OC)cc1	ZINC001090885149	947658826	/nfs/dbraw/zinc/65/88/26/947658826.db2.gz	UVCDCUDWJGIWAQ-FUHWJXTLSA-N	1	0	368.437	1.878	20	30		FDEDRO
CO[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1NC(=O)CCCC[NH+](C)C	ZINC001090903449	947871168	/nfs/dbraw/zinc/87/11/68/947871168.db2.gz	WSZXKDTVANFMDB-SJLPKXTDSA-N	1	0	362.449	1.749	20	30		FDEDRO
C[C@H](C#N)OCC[NH+]1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1	ZINC000844356658	948009103	/nfs/dbraw/zinc/00/91/03/948009103.db2.gz	IMRHFYXINHIZHW-CABCVRRESA-N	1	0	365.474	1.570	20	30		FDEDRO
CC[C@@H](C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1OC)[NH+](CC)CC	ZINC001090945408	948043282	/nfs/dbraw/zinc/04/32/82/948043282.db2.gz	PICSEZFCURMWEW-FGTMMUONSA-N	1	0	359.474	1.393	20	30		FDEDRO
CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)Nc1cnn(CC[NH+](C)C)c1	ZINC000844550838	948168796	/nfs/dbraw/zinc/16/87/96/948168796.db2.gz	OWZSAAFONIPNRB-QGZVFWFLSA-N	1	0	356.430	1.514	20	30		FDEDRO
C[C@H]1c2ncc(CN3CC[NH+](C)CC3)n2CCN1Cc1cncc(C#N)c1	ZINC001144080368	948202017	/nfs/dbraw/zinc/20/20/17/948202017.db2.gz	JOMWQFARZJZCIG-INIZCTEOSA-N	1	0	365.485	1.474	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1Nc1cnc(C#N)cn1	ZINC001090983985	948225948	/nfs/dbraw/zinc/22/59/48/948225948.db2.gz	HDBBKTGYKKECOY-NVXWUHKLSA-N	1	0	356.474	1.873	20	30		FDEDRO
C=C(C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1)C(F)(F)F	ZINC001144202097	948365322	/nfs/dbraw/zinc/36/53/22/948365322.db2.gz	ZDIFFLIUHHHSSA-RWMBFGLXSA-N	1	0	356.348	1.553	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1CCO[C@@H]2CN(c3cccc(F)c3C#N)C[C@@H]21	ZINC001091049587	948651257	/nfs/dbraw/zinc/65/12/57/948651257.db2.gz	ROZXPWQJURBWEI-ZWKOTPCHSA-N	1	0	360.433	1.455	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1	ZINC000845116769	948695508	/nfs/dbraw/zinc/69/55/08/948695508.db2.gz	IHEILHYOQLPLEL-UHFFFAOYSA-N	1	0	360.366	1.770	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc1ncc(C#N)cn1	ZINC000845238568	948925803	/nfs/dbraw/zinc/92/58/03/948925803.db2.gz	JWFBNPMJQCFAIW-CYBMUJFWSA-N	1	0	363.418	1.236	20	30		FDEDRO
CC(=O)N[C@@H](CS)C(=O)N(Cc1ccc(F)cc1)C1CC[NH+](C)CC1	ZINC001144408995	948988777	/nfs/dbraw/zinc/98/87/77/948988777.db2.gz	FCEHZWWOARLILU-KRWDZBQOSA-N	1	0	367.490	1.683	20	30		FDEDRO
C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1C[C@H](OCCO)[C@H]2OC(C)(C)O[C@@H]12	ZINC001171186841	949365067	/nfs/dbraw/zinc/36/50/67/949365067.db2.gz	ZKIBXKDAMMADDL-BIIJJZAFSA-N	1	0	360.454	1.749	20	30		FDEDRO
C=C(Cl)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2	ZINC001110717881	971582209	/nfs/dbraw/zinc/58/22/09/971582209.db2.gz	MWMBPHSZOCBXBK-OAGGEKHMSA-N	1	0	355.910	1.819	20	30		FDEDRO
C[C@H]([NH3+])CCNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N	ZINC000857113688	971587107	/nfs/dbraw/zinc/58/71/07/971587107.db2.gz	GJPJPQIEGIXNSD-LBPRGKRZSA-N	1	0	373.436	1.434	20	30		FDEDRO
N#Cc1ccccc1NC(=S)N1CCN(CCN2CCOCC2)CC1	ZINC001196305663	971594299	/nfs/dbraw/zinc/59/42/99/971594299.db2.gz	RVCPXIQFEUUIBB-UHFFFAOYSA-N	1	0	359.499	1.205	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CC2(Cn3cnnn3)CCCCC2)CC1	ZINC000845593383	949684459	/nfs/dbraw/zinc/68/44/59/949684459.db2.gz	YSFJQVJMRNVLOC-UHFFFAOYSA-N	1	0	358.490	1.618	20	30		FDEDRO
C=C[C@H](C)ONC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	ZINC000845639310	949730179	/nfs/dbraw/zinc/73/01/79/949730179.db2.gz	PSTIGAFESFQAHV-HNNXBMFYSA-N	1	0	352.479	1.516	20	30		FDEDRO
C#Cc1ccc(C[N@@H+]2CCc3ccc(=O)n(CC(=O)N(C)C)c3CC2)cc1	ZINC001144571636	949953269	/nfs/dbraw/zinc/95/32/69/949953269.db2.gz	CWNBSXXAOYOIES-UHFFFAOYSA-N	1	0	363.461	1.519	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1	ZINC000845891701	950106873	/nfs/dbraw/zinc/10/68/73/950106873.db2.gz	XBNSRPYZGGUGQK-UONOGXRCSA-N	1	0	365.455	1.496	20	30		FDEDRO
C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=S)Nc2ccccc2C#N)CC1	ZINC001196346217	971635711	/nfs/dbraw/zinc/63/57/11/971635711.db2.gz	TYXJSUDHDAVBFI-SHTZXODSSA-N	1	0	359.499	1.834	20	30		FDEDRO
C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001574983247	950209052	/nfs/dbraw/zinc/20/90/52/950209052.db2.gz	LCGPQEDQFDNZIK-JTQLQIEISA-N	1	0	368.376	1.114	20	30		FDEDRO
C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1ccc(C#N)s1	ZINC001574983452	950218809	/nfs/dbraw/zinc/21/88/09/950218809.db2.gz	OCQQMBZCBCRELD-VIFPVBQESA-N	1	0	356.415	1.036	20	30		FDEDRO
C=CC[C@@H]1CC[C@H]([NH2+]CC(=O)Nc2cccc(S(=O)(=O)NC)c2)C1	ZINC000846053931	950417291	/nfs/dbraw/zinc/41/72/91/950417291.db2.gz	YPFNDIWQYAEASX-KGLIPLIRSA-N	1	0	351.472	1.868	20	30		FDEDRO
N#CCN(CN1C(=O)NC2(CC[NH+](Cc3ccccc3)CC2)C1=O)C1CC1	ZINC000857232105	971661967	/nfs/dbraw/zinc/66/19/67/971661967.db2.gz	LOZFWDCHKSIJDF-UHFFFAOYSA-N	1	0	367.453	1.518	20	30		FDEDRO
C#C[C@@H](C)N(C)CN1C(=O)NC2(CC[NH+](Cc3ccccc3)CC2)C1=O	ZINC000857234743	971663607	/nfs/dbraw/zinc/66/36/07/971663607.db2.gz	LZYCHBJWDYALLD-MRXNPFEDSA-N	1	0	354.454	1.484	20	30		FDEDRO
C[C@H](CNC(=O)c1cc(C#N)c[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1	ZINC001574996713	950535089	/nfs/dbraw/zinc/53/50/89/950535089.db2.gz	OWOLTFMWEHRAHL-SNVBAGLBSA-N	1	0	368.376	1.114	20	30		FDEDRO
C[C@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@@H](OCC(=O)N(C)C)[C@H]2COC[C@H]21	ZINC001171213040	950538545	/nfs/dbraw/zinc/53/85/45/950538545.db2.gz	SZBIOBBREKVLDX-ZWQIFLOQSA-N	1	0	357.454	1.293	20	30		FDEDRO
CNC(=O)CO[C@H]1COC2(C1)CC[NH+]([C@H](C)Cc1cccc(C#N)c1)CC2	ZINC001171213271	950546888	/nfs/dbraw/zinc/54/68/88/950546888.db2.gz	XVYUJKIEHYXCFK-VQIMIIECSA-N	1	0	371.481	1.875	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccc(F)cc2)C[C@H]1O	ZINC001196475503	971702447	/nfs/dbraw/zinc/70/24/47/971702447.db2.gz	XTKYYXHQCASILW-RCCFBDPRSA-N	1	0	364.461	1.493	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)N1CCC([NH2+]CCOC)CC1)c1ccncc1	ZINC000846333450	950946863	/nfs/dbraw/zinc/94/68/63/950946863.db2.gz	TYKQMRKIUPQLLZ-QGZVFWFLSA-N	1	0	360.458	1.042	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnnn2-c2ccccc2)C1	ZINC001196460852	971717241	/nfs/dbraw/zinc/71/72/41/971717241.db2.gz	MVTQVIOORRWQFY-QGPMSJSTSA-N	1	0	355.442	1.397	20	30		FDEDRO
Cn1cnnc1SCC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000846611568	951375763	/nfs/dbraw/zinc/37/57/63/951375763.db2.gz	DVRUJMOBXZVUAY-UHFFFAOYSA-N	1	0	370.482	1.560	20	30		FDEDRO
CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)NCC[N@H+](C)C1CCCC1	ZINC000846731102	951504771	/nfs/dbraw/zinc/50/47/71/951504771.db2.gz	TWZSMHPCAOFPFK-GOSISDBHSA-N	1	0	372.469	1.041	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@H]3OCC[C@H]3C)c2)C1	ZINC001091405002	951599798	/nfs/dbraw/zinc/59/97/98/951599798.db2.gz	QVQUJYDCPXEJKJ-LZQZEXGQSA-N	1	0	357.454	1.599	20	30		FDEDRO
NC(=O)c1ccc(C(=[NH2+])Nc2cnc(=O)n(-c3cccc(F)c3)c2)cc1	ZINC001171258970	951728615	/nfs/dbraw/zinc/72/86/15/951728615.db2.gz	SWYLXIYZKXOROK-UHFFFAOYSA-N	1	0	351.341	1.508	20	30		FDEDRO
N#Cc1cccnc1C(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1	ZINC001196559131	971774438	/nfs/dbraw/zinc/77/44/38/971774438.db2.gz	SADJCJIIVKHNQH-UHFFFAOYSA-N	1	0	351.410	1.320	20	30		FDEDRO
C#C[C@H]1CCC[N@@H+]([C@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)C1	ZINC000847022248	951775720	/nfs/dbraw/zinc/77/57/20/951775720.db2.gz	SUHALVKICSLCOP-MOPGFXCFSA-N	1	0	369.509	1.869	20	30		FDEDRO
C#C[C@H]1CCC[N@@H+](CC(=O)NCc2ccccc2CN2CCOCC2)C1	ZINC000847029390	951780206	/nfs/dbraw/zinc/78/02/06/951780206.db2.gz	MYHACQHQQGFQNF-SFHVURJKSA-N	1	0	355.482	1.480	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ccoc4C)C[C@]3(C)C2)C1=O	ZINC001091467606	951841151	/nfs/dbraw/zinc/84/11/51/951841151.db2.gz	XWBKCDWLFGJOKT-SYNHAJSKSA-N	1	0	357.454	1.769	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cncs4)C[C@]3(C)C2)C1=O	ZINC001091517107	951922798	/nfs/dbraw/zinc/92/27/98/951922798.db2.gz	FYDMDBBJPIXOKC-GLJUWKHASA-N	1	0	360.483	1.324	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN2C[C@@H]3CN(C(=O)[C@@H](C)OC)C[C@]3(C)C2)c1	ZINC001091520555	951928213	/nfs/dbraw/zinc/92/82/13/951928213.db2.gz	OHRWDFWWFLHGJA-CEQIKUNHSA-N	1	0	369.465	1.422	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCc4ccccc43)C[C@@]2(C)C1	ZINC001091544669	951983475	/nfs/dbraw/zinc/98/34/75/951983475.db2.gz	FEHNQIATMZVBEF-CEQIKUNHSA-N	1	0	366.465	1.516	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2C[N@H+](Cc3ccc4c(c3)nnn4C)C[C@@]2(C)C1	ZINC001091546924	951991973	/nfs/dbraw/zinc/99/19/73/951991973.db2.gz	BJDFKFAJECMVJG-MUKKUYKPSA-N	1	0	352.442	1.408	20	30		FDEDRO
C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(C[NH3+])COC1	ZINC001146419552	952053859	/nfs/dbraw/zinc/05/38/59/952053859.db2.gz	KHWBZIUPLGXRSW-AWEZNQCLSA-N	1	0	355.479	1.860	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cncc(C)c4)C[C@]3(C)C2)C1=O	ZINC001091563034	952059438	/nfs/dbraw/zinc/05/94/38/952059438.db2.gz	MWAYKMQXGIEKJI-OPYAIIAOSA-N	1	0	368.481	1.571	20	30		FDEDRO
C[C@]12CN(C(=O)Cc3cc[nH]n3)C[C@H]1C[N@H+](Cc1ccc(C#N)s1)C2	ZINC001091560135	952064798	/nfs/dbraw/zinc/06/47/98/952064798.db2.gz	ODPNFMVIYMCITF-ACJLOTCBSA-N	1	0	355.467	1.866	20	30		FDEDRO
C[C@]12CN(C(=O)Cc3cc[nH]n3)C[C@H]1C[N@H+](Cc1ccc(C#N)c(F)c1)C2	ZINC001091559993	952065189	/nfs/dbraw/zinc/06/51/89/952065189.db2.gz	HVPLTIMXWXEFET-UZLBHIALSA-N	1	0	367.428	1.943	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCN(C(=O)[C@H](C)Oc2cccc(C)c2)CC1	ZINC001146487888	952094011	/nfs/dbraw/zinc/09/40/11/952094011.db2.gz	DYDLZIJNJKUIDT-KRWDZBQOSA-N	1	0	359.470	1.551	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)/C=C/c4ccc[nH]4)C[C@]3(C)C2)C1=O	ZINC001091625511	952352988	/nfs/dbraw/zinc/35/29/88/952352988.db2.gz	XHZBGUMDJANCQO-PVSSZQJOSA-N	1	0	368.481	1.595	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cn([C@@H]3CCOC3)nn2)C1	ZINC001086848992	952432289	/nfs/dbraw/zinc/43/22/89/952432289.db2.gz	QNSUANICCGHHIH-BFHYXJOUSA-N	1	0	353.854	1.480	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3OCC[C@H]3C(C)C)C2)C1	ZINC001147573265	952440683	/nfs/dbraw/zinc/44/06/83/952440683.db2.gz	ZNNZKAUQOKNIDL-ULQDDVLXSA-N	1	0	363.502	1.273	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)NC[C@H]2CC[C@@H](Nc3cnc(C#N)cn3)C2)C1	ZINC001091638957	952449480	/nfs/dbraw/zinc/44/94/80/952449480.db2.gz	CZMNPPOPYFUNMR-LSDHHAIUSA-N	1	0	356.474	1.777	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)NC[C@H]2CC[C@@H](Nc3cncc(C#N)n3)C2)C1	ZINC001091639620	952451686	/nfs/dbraw/zinc/45/16/86/952451686.db2.gz	MELPDYXIHZPDKM-LSDHHAIUSA-N	1	0	356.474	1.777	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)NC[C@H]2CC[C@@H](Nc3ccncc3C#N)C2)C1	ZINC001091639985	952452350	/nfs/dbraw/zinc/45/23/50/952452350.db2.gz	ZQFXNPSVRKQJDW-DOTOQJQBSA-N	1	0	355.486	1.804	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNS(=O)(=O)c2cc(F)cc(C#N)c2)CCCO1	ZINC000867191307	971835673	/nfs/dbraw/zinc/83/56/73/971835673.db2.gz	NNSGZNLJVQUPKS-ZDUSSCGKSA-N	1	0	355.435	1.477	20	30		FDEDRO
Cn1cc(C(=O)N2C[C@H]3C[N@H+](CC#Cc4ccc(F)cc4)C[C@@]3(C)C2)nn1	ZINC001091645619	952475184	/nfs/dbraw/zinc/47/51/84/952475184.db2.gz	QBKJRSGXDFAKIF-UZLBHIALSA-N	1	0	367.428	1.400	20	30		FDEDRO
C=CCN1CC[C@H](N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2nccs2)C3)C1=O	ZINC001110121362	952668981	/nfs/dbraw/zinc/66/89/81/952668981.db2.gz	WKBQAEMOWUCZLI-UGUYLWEFSA-N	1	0	374.510	1.584	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCCO[C@H]1CCOC1)C2	ZINC001148311170	952679768	/nfs/dbraw/zinc/67/97/68/952679768.db2.gz	YLEMUXFVTAVJCL-KSZLIROESA-N	1	0	364.486	1.307	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H]2CN(C(=O)c3[nH]nc4c3cccc4OC)C[C@]2(C)C1	ZINC001091706159	952688150	/nfs/dbraw/zinc/68/81/50/952688150.db2.gz	FKRQFRIIVMYWHE-VLIAUNLRSA-N	1	0	352.438	1.989	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ccns4)C[C@]3(C)C2)C1=O	ZINC001091712503	952704240	/nfs/dbraw/zinc/70/42/40/952704240.db2.gz	TXKHIJPMWSBSEE-LBTNJELSSA-N	1	0	360.483	1.324	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCCS3(=O)=O)C[C@]2(C)C1	ZINC001091732103	952753630	/nfs/dbraw/zinc/75/36/30/952753630.db2.gz	DCWFPJCJOLIRMT-RYRKJORJSA-N	1	0	354.516	1.700	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2C[N@@H+]([C@H](C)C(=O)NC3CC3)C[C@@]2(C)C1	ZINC001091737475	952766036	/nfs/dbraw/zinc/76/60/36/952766036.db2.gz	LAHLYNGHQYELGI-ZOCZFRKYSA-N	1	0	370.497	1.735	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCOC3CCC3)C[C@@]2(C)C1	ZINC001091749137	952788364	/nfs/dbraw/zinc/78/83/64/952788364.db2.gz	ATOZUIOUBIYCNV-LMNJBCLMSA-N	1	0	359.514	1.433	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)N2CCC[C@H](C)C2)C1	ZINC001196700595	971867048	/nfs/dbraw/zinc/86/70/48/971867048.db2.gz	HXILFLPKNLRDBT-GVDBMIGSSA-N	1	0	351.491	1.153	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3OCCO[C@@H]3c3ccccc3)C[C@]2(C)C1	ZINC001091754248	952815082	/nfs/dbraw/zinc/81/50/82/952815082.db2.gz	LAOIDEANIZRXKQ-VMBXEPDQSA-N	1	0	368.477	1.947	20	30		FDEDRO
COc1cccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2c2cnn(C)c2)c1	ZINC001086971621	952974713	/nfs/dbraw/zinc/97/47/13/952974713.db2.gz	WRARMCNFOYZWQU-ZOCIIQOWSA-N	1	0	367.453	1.673	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2[NH2+]CC2CCC2)cn1	ZINC001086975200	952984414	/nfs/dbraw/zinc/98/44/14/952984414.db2.gz	ACBXYZXKACTJKQ-ZWKOTPCHSA-N	1	0	352.442	1.618	20	30		FDEDRO
Cc1cc(C[NH2+][C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2c2cnn(C)c2)on1	ZINC001086978379	952990396	/nfs/dbraw/zinc/99/03/96/952990396.db2.gz	SQYJWMDVIWGAOR-ZWKOTPCHSA-N	1	0	353.426	1.214	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3cn[nH]c32)C[C@H]1c1cnn(C)c1	ZINC001086979175	952992256	/nfs/dbraw/zinc/99/22/56/952992256.db2.gz	MVOIFTHKWYPPPV-IXDOHACOSA-N	1	0	354.458	1.333	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2[nH]cnc2C(C)(C)C)C[C@H]1c1cnn(C)c1	ZINC001086979526	952993043	/nfs/dbraw/zinc/99/30/43/952993043.db2.gz	FEJMNHVLQRMAFG-LSDHHAIUSA-N	1	0	356.474	1.825	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](NCC#N)C1	ZINC001086982693	952995640	/nfs/dbraw/zinc/99/56/40/952995640.db2.gz	YDMFDRMUCNVIFT-OKZBNKHCSA-N	1	0	358.490	1.091	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCCC3)C[C@H]1c1cnn(C)c1	ZINC001086983565	952997268	/nfs/dbraw/zinc/99/72/68/952997268.db2.gz	WSRRSQQTVATVNY-FUHWJXTLSA-N	1	0	354.458	1.337	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3nc(C)[nH]c3C2)C[C@H]1c1cnn(C)c1	ZINC001086985196	953001240	/nfs/dbraw/zinc/00/12/40/953001240.db2.gz	YBOVABJQYZORHP-SIXWZSSISA-N	1	0	368.485	1.327	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2coc(OCC)n2)C[C@H]1c1cnn(C)c1	ZINC001086985992	953004718	/nfs/dbraw/zinc/00/47/18/953004718.db2.gz	OVEVDXGTEBQAQN-LSDHHAIUSA-N	1	0	359.430	1.581	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(Cl)n(C)n2)C[C@H]1c1cnn(C)c1	ZINC001086986990	953008671	/nfs/dbraw/zinc/00/86/71/953008671.db2.gz	SXGVUKGGBCANOO-DZGCQCFKSA-N	1	0	362.865	1.581	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2cc(CC)nn2C)C[C@H]1c1cnn(C)c1	ZINC001086988788	953012816	/nfs/dbraw/zinc/01/28/16/953012816.db2.gz	ROVCDTVHTIWTBH-ZWKOTPCHSA-N	1	0	356.474	1.029	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cnn3c2CCC3)C[C@H]1c1cnn(C)c1	ZINC001086981896	953034181	/nfs/dbraw/zinc/03/41/81/953034181.db2.gz	IXCACQUBPOEDCH-DLBZAZTESA-N	1	0	354.458	1.337	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1O	ZINC001196691490	971890847	/nfs/dbraw/zinc/89/08/47/971890847.db2.gz	FISDZGHLRHARFW-GUDVDZBRSA-N	1	0	363.502	1.509	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2nccc3[nH]ccc32)C[C@H]1c1cnn(C)c1	ZINC001086997329	953040287	/nfs/dbraw/zinc/04/02/87/953040287.db2.gz	YYVOQZQOXFVMNX-DOTOQJQBSA-N	1	0	350.426	1.680	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2ccnc2C(C)C)C[C@H]1c1cnn(C)c1	ZINC001086999410	953046471	/nfs/dbraw/zinc/04/64/71/953046471.db2.gz	FGZBUPWAKWDAPP-ZWKOTPCHSA-N	1	0	370.501	1.900	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2cc(Cl)cn2)C[C@H]1c1cnn(C)c1	ZINC001086999547	953047300	/nfs/dbraw/zinc/04/73/00/953047300.db2.gz	KVMFHBSHVRICDA-JKSUJKDBSA-N	1	0	362.865	1.430	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c(C)noc2C)C[C@H]1c1cnn(C)c1	ZINC001087000666	953051219	/nfs/dbraw/zinc/05/12/19/953051219.db2.gz	IMWBATWZWLFUPI-FASAQXTFSA-N	1	0	369.469	1.421	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2cnn(C)c2)C[C@H]1c1cnn(C)c1	ZINC001087003570	953059939	/nfs/dbraw/zinc/05/99/39/953059939.db2.gz	DCDZKMNEPYCQPQ-ZYSHUDEJSA-N	1	0	370.501	1.493	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc3cccnc3s2)C[C@H]1c1cnn(C)c1	ZINC001087004739	953062637	/nfs/dbraw/zinc/06/26/37/953062637.db2.gz	QXJUBSULIVEHPU-JKSUJKDBSA-N	1	0	365.462	1.861	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2coc(C3CCC3)n2)C[C@H]1c1cnn(C)c1	ZINC001087005148	953063605	/nfs/dbraw/zinc/06/36/05/953063605.db2.gz	NOEHCCAGMFMTTK-JKSUJKDBSA-N	1	0	353.426	1.507	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1c1cnn(C)c1	ZINC001086994565	953065860	/nfs/dbraw/zinc/06/58/60/953065860.db2.gz	IXMAGWHFOZYPTH-DLBZAZTESA-N	1	0	365.909	1.398	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2ccccn2)C[C@H]1c1cnn(C)c1	ZINC001087006306	953089906	/nfs/dbraw/zinc/08/99/06/953089906.db2.gz	UNYHYMKHEQRKJB-RYQLBKOJSA-N	1	0	369.469	1.743	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(COC)c(F)c2)C[C@H]1c1cnn(C)c1	ZINC001087007044	953091779	/nfs/dbraw/zinc/09/17/79/953091779.db2.gz	IPKHMUUGUCDTDA-PKOBYXMFSA-N	1	0	370.428	1.537	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnn(CC(C)C)c2C)C[C@H]1c1cnn(C)c1	ZINC001087007412	953092751	/nfs/dbraw/zinc/09/27/51/953092751.db2.gz	BWOSXGMEQZPCPJ-RBUKOAKNSA-N	1	0	370.501	1.965	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(OC)ccc2OC)C[C@H]1c1cnn(C)c1	ZINC001087008904	953096128	/nfs/dbraw/zinc/09/61/28/953096128.db2.gz	CSVWDAQVSKXIGA-ZWKOTPCHSA-N	1	0	368.437	1.268	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]nc3ccccc32)C[C@H]1c1cnn(C)c1	ZINC001087010887	953102675	/nfs/dbraw/zinc/10/26/75/953102675.db2.gz	WPDLKUQKCVOZFZ-QFBILLFUSA-N	1	0	362.437	1.056	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2csc(CC(C)C)n2)C[C@H]1c1cnn(C)c1	ZINC001087011636	953104550	/nfs/dbraw/zinc/10/45/50/953104550.db2.gz	HVLBURWJHZPHLJ-JKSUJKDBSA-N	1	0	371.510	1.906	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC23CCN(C(=O)[C@@H]2C[C@H]2CC)CC3)CC1	ZINC000964018076	1013114498	/nfs/dbraw/zinc/11/44/98/1013114498.db2.gz	FCYTXKJWYWEXAZ-BHIYHBOVSA-N	1	0	371.525	1.875	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C(F)F)C[C@H]1C[NH2+]Cc1ccc(OC)c(C#N)c1	ZINC001087013226	953108359	/nfs/dbraw/zinc/10/83/59/953108359.db2.gz	KLMUKBOAHGMDGX-GDBMZVCRSA-N	1	0	367.396	1.785	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001087029615	953120808	/nfs/dbraw/zinc/12/08/08/953120808.db2.gz	AVCDSWSFUJIDIE-SJLPKXTDSA-N	1	0	371.416	1.687	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1ccc(OC)c(C#N)c1	ZINC001087035778	953145664	/nfs/dbraw/zinc/14/56/64/953145664.db2.gz	MJWAJNDUNHQBPX-LSBZLQRGSA-N	1	0	370.453	1.680	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1cccc(Cl)n1	ZINC001087035787	953145725	/nfs/dbraw/zinc/14/57/25/953145725.db2.gz	MTONMGJVGKIUMT-GZBFAFLISA-N	1	0	350.850	1.848	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1ccnc(N(C)C)c1	ZINC001087036001	953146394	/nfs/dbraw/zinc/14/63/94/953146394.db2.gz	VAMWAQCHZHHQBP-USXIJHARSA-N	1	0	359.474	1.260	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1ccns1	ZINC001087039731	953155796	/nfs/dbraw/zinc/15/57/96/953155796.db2.gz	BOBHZZSHJKSZCF-CZUORRHYSA-N	1	0	359.455	1.610	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1cnc(C)nc1	ZINC001087046145	953193465	/nfs/dbraw/zinc/19/34/65/953193465.db2.gz	NESKCAQLDPHUIN-CRAIPNDOSA-N	1	0	368.441	1.252	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1conc1CC	ZINC001087046944	953194931	/nfs/dbraw/zinc/19/49/31/953194931.db2.gz	JMFPZOKTPBQDGT-RDTXWAMCSA-N	1	0	371.441	1.704	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+][C@@H](C)c3nnc(C)[nH]3)[C@H](OCC)C2)C1	ZINC001087082206	953240608	/nfs/dbraw/zinc/24/06/08/953240608.db2.gz	BAIUIHLEDZVMLJ-NUEKZKHPSA-N	1	0	361.490	1.984	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cscn2)[C@H](OCC)C1	ZINC001087085429	953246888	/nfs/dbraw/zinc/24/68/88/953246888.db2.gz	DQGCCCHAGPQXJQ-MXASKKJJSA-N	1	0	365.499	1.687	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087094091	953260828	/nfs/dbraw/zinc/26/08/28/953260828.db2.gz	QVNALZCUGHHEPG-QZTJIDSGSA-N	1	0	367.453	1.477	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)C4(F)CCCC4)C[C@]3(C)C2)C1=O	ZINC001091804760	953333888	/nfs/dbraw/zinc/33/38/88/953333888.db2.gz	SKRJJXXCNAMEDL-GJYPPUQNSA-N	1	0	363.477	1.836	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)CCN1c1ccc(C#N)nn1	ZINC001091806569	953337023	/nfs/dbraw/zinc/33/70/23/953337023.db2.gz	UEIZUZQFQGWPLZ-OWCLPIDISA-N	1	0	362.453	1.502	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)Cn3nnc(-c4ccco4)n3)C[C@]2(C)C1	ZINC001091809297	953341811	/nfs/dbraw/zinc/34/18/11/953341811.db2.gz	AHXYNSPMYSTMHM-KDOFPFPSSA-N	1	0	356.430	1.290	20	30		FDEDRO
CC[C@@H](C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)[C@@H]1CC)[NH+](CC)CC	ZINC001091826179	953500293	/nfs/dbraw/zinc/50/02/93/953500293.db2.gz	KPOFIPIAYYSKBN-BBWFWOEESA-N	1	0	358.490	1.942	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1C[C@H]2CCN(c3nccnc3C#N)C[C@H]2C1	ZINC001091859868	953583009	/nfs/dbraw/zinc/58/30/09/953583009.db2.gz	VYNDDBOTNAXZOK-CVEARBPZSA-N	1	0	356.474	1.365	20	30		FDEDRO
Cc1cc(C#N)nc(N2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)C[C@@H]3C2)n1	ZINC001091870327	953626085	/nfs/dbraw/zinc/62/60/85/953626085.db2.gz	NAYVRIWHVXIQGB-CVEARBPZSA-N	1	0	368.485	1.283	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc(-n4cnnn4)cn3)C[C@]2(C)C1	ZINC001091879778	953652082	/nfs/dbraw/zinc/65/20/82/953652082.db2.gz	ROGHECNPMXYBCU-KDOFPFPSSA-N	1	0	353.430	1.027	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@@]3(C)C2)cc1	ZINC001091905290	953672217	/nfs/dbraw/zinc/67/22/17/953672217.db2.gz	AMURUKJQARGSLD-NQIIRXRSSA-N	1	0	351.450	1.294	20	30		FDEDRO
Cc1n[nH]nc1C(=O)N1C[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@]2(C)C1	ZINC001091906313	953678147	/nfs/dbraw/zinc/67/81/47/953678147.db2.gz	MFBRUTBQSTWMPL-APWZRJJASA-N	1	0	350.426	1.579	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)CC(C)(F)F)C[C@]3(C)C2)C1=O	ZINC001091986110	953874321	/nfs/dbraw/zinc/87/43/21/953874321.db2.gz	VYPCKRGRGYIRBX-KEYYUXOJSA-N	1	0	355.429	1.599	20	30		FDEDRO
CCCCCC[N@H+](C)CC(=O)N[C@H]1CCN(c2cncc(C#N)n2)[C@@H]1C	ZINC001092001197	953929496	/nfs/dbraw/zinc/92/94/96/953929496.db2.gz	XMJLRJPQEGUQJK-WBVHZDCISA-N	1	0	358.490	1.944	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)c2c(C)noc2C)C1	ZINC001196933435	971977698	/nfs/dbraw/zinc/97/76/98/971977698.db2.gz	RLTYJHKFAYSFOS-ARFHVFGLSA-N	1	0	351.447	1.149	20	30		FDEDRO
N#Cc1cccc(-c2nnc(C[NH+]3CCC(CCO)(CCO)CC3)o2)c1	ZINC001196907951	971984531	/nfs/dbraw/zinc/98/45/31/971984531.db2.gz	OYKFMGABUNFZDL-UHFFFAOYSA-N	1	0	356.426	1.955	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3nnn(C)c3C(F)(F)F)C[C@]2(C)C1	ZINC001092079674	954227134	/nfs/dbraw/zinc/22/71/34/954227134.db2.gz	STOMXMJQBGMGBO-ABAIWWIYSA-N	1	0	355.364	1.251	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccnn3C3CCOCC3)C[C@]2(C)C1	ZINC001092085733	954237317	/nfs/dbraw/zinc/23/73/17/954237317.db2.gz	YSPVQQRFWOBJEH-UZLBHIALSA-N	1	0	356.470	1.652	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@H]3C[N@H+](CCn4cccn4)C[C@@]3(C)C2)nn1	ZINC001092085580	954237501	/nfs/dbraw/zinc/23/75/01/954237501.db2.gz	SOTNKWXRPIRYOB-APWZRJJASA-N	1	0	369.473	1.145	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@H]2C[N@@H+]([C@H](C)C(=O)NC)C[C@@]2(C)C1	ZINC001092232600	954580311	/nfs/dbraw/zinc/58/03/11/954580311.db2.gz	UBARLUKPWXREAM-FPDPHYFHSA-N	1	0	353.466	1.125	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3cc4c(cn3)nc[nH]c4=O)C[C@]2(C)C1	ZINC001092236511	954588717	/nfs/dbraw/zinc/58/87/17/954588717.db2.gz	GRUJEZFQTXWGRH-YJYMSZOUSA-N	1	0	353.426	1.700	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cccc(C(=O)N(C)C)c3)C[C@]2(C)C1	ZINC001092208164	954610971	/nfs/dbraw/zinc/61/09/71/954610971.db2.gz	XKEKJGTXEYQPOW-NQIIRXRSSA-N	1	0	353.466	1.806	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)c3nc4nccc(C)n4n3)C[C@]2(C)C1	ZINC001092249314	954704979	/nfs/dbraw/zinc/70/49/79/954704979.db2.gz	LVUBLMITOQUFGV-BEFAXECRSA-N	1	0	354.458	1.793	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@]3(C)C2)n1	ZINC001092305316	954768733	/nfs/dbraw/zinc/76/87/33/954768733.db2.gz	LIZZQHNRXJFHBZ-FXAWDEMLSA-N	1	0	355.486	1.888	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)c3c(OC)ncnc3OC)C[C@]2(C)C1	ZINC001092317137	954821116	/nfs/dbraw/zinc/82/11/16/954821116.db2.gz	CJBPHXVVNILWTN-KUHUBIRLSA-N	1	0	360.458	1.854	20	30		FDEDRO
C[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001092384519	954982383	/nfs/dbraw/zinc/98/23/83/954982383.db2.gz	AYMVGLOGBDGBEI-IIAWOOMASA-N	1	0	359.449	1.623	20	30		FDEDRO
CC(C)[C@@H](C(=O)NC[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C)[NH+]1CCCC1	ZINC001092372885	955046298	/nfs/dbraw/zinc/04/62/98/955046298.db2.gz	LYOGXUMSVPPLKU-MDZRGWNJSA-N	1	0	370.501	1.657	20	30		FDEDRO
C[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@H]1CNC(=O)CC[NH+](C)C	ZINC001092437882	955098078	/nfs/dbraw/zinc/09/80/78/955098078.db2.gz	JMKIIELKDDLOTB-GHMZBOCLSA-N	1	0	355.895	1.808	20	30		FDEDRO
C[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1	ZINC001092415132	955145532	/nfs/dbraw/zinc/14/55/32/955145532.db2.gz	JQLZJWGQPANBLV-UKRRQHHQSA-N	1	0	359.449	1.765	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C	ZINC001092415713	955146054	/nfs/dbraw/zinc/14/60/54/955146054.db2.gz	BZFHRSKLKIZPGW-BRWVUGGUSA-N	1	0	370.501	1.800	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)c3cc(CC)n[nH]3)[C@H](C)C2)C1=O	ZINC001092474824	955217490	/nfs/dbraw/zinc/21/74/90/955217490.db2.gz	BLOMHJSKNCKZFZ-CKEIUWERSA-N	1	0	359.474	1.057	20	30		FDEDRO
COc1nccc(C[N@H+]2C[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)n1	ZINC001092551061	955401364	/nfs/dbraw/zinc/40/13/64/955401364.db2.gz	HUBKCQHGXCOVJR-CHWSQXEVSA-N	1	0	354.414	1.183	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cc3n(n2)CCC3)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC001092551264	955403003	/nfs/dbraw/zinc/40/30/03/955403003.db2.gz	UHHFOWJNKVFATK-ZIAGYGMSSA-N	1	0	352.442	1.527	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC001092553457	955416697	/nfs/dbraw/zinc/41/66/97/955416697.db2.gz	DUKFMMFXTHEUBD-IIAWOOMASA-N	1	0	357.458	1.100	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@H]1CCNC(=O)C1	ZINC001092537223	955519735	/nfs/dbraw/zinc/51/97/35/955519735.db2.gz	YLQDEIZJBAUAFO-RVKKMQEKSA-N	1	0	354.454	1.269	20	30		FDEDRO
CCn1ncc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)n1	ZINC001092591079	955572247	/nfs/dbraw/zinc/57/22/47/955572247.db2.gz	DJMWRNBQVLUNDE-RHSMWYFYSA-N	1	0	352.442	1.668	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3ccccn3)no2)C1	ZINC001197181203	972109984	/nfs/dbraw/zinc/10/99/84/972109984.db2.gz	GOJNYPOSURHNGE-IAOVAPTHSA-N	1	0	356.426	1.866	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)nc3c2cnn3C)C1	ZINC001197182136	972111726	/nfs/dbraw/zinc/11/17/26/972111726.db2.gz	UOUYGPYSDNGEKS-IAOVAPTHSA-N	1	0	357.458	1.406	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)NCC[C@@H]2CN(c3ncccc3C#N)C[C@H]2C)C1	ZINC001092584116	955729809	/nfs/dbraw/zinc/72/98/09/955729809.db2.gz	HPOTXOUZZZQEDV-LZLYRXPVSA-N	1	0	355.486	1.874	20	30		FDEDRO
Cc1cc(NCC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C)c(C#N)cn1	ZINC001092626226	955879125	/nfs/dbraw/zinc/87/91/25/955879125.db2.gz	MWVRPHZYTLOVMT-NVXWUHKLSA-N	1	0	369.513	1.922	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)c2cccc(OCC(N)=O)c2)[C@H](C)C1	ZINC001092655536	955910476	/nfs/dbraw/zinc/91/04/76/955910476.db2.gz	RJXCYTVCZBMEEN-NVXWUHKLSA-N	1	0	359.470	1.815	20	30		FDEDRO
CCc1nc(C#N)cc(NC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]2C)n1	ZINC001092658624	955922998	/nfs/dbraw/zinc/92/29/98/955922998.db2.gz	CWHSDJZHQUDKLF-HUUCEWRRSA-N	1	0	358.490	1.759	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)c3cccc(CC)n3)[C@H](C)C2)C1=O	ZINC001092682278	956014288	/nfs/dbraw/zinc/01/42/88/956014288.db2.gz	AZLTZWDUJKDDLK-MDZRGWNJSA-N	1	0	370.497	1.729	20	30		FDEDRO
N#Cc1nccc(N2CC[C@@]3(CNC(=O)C[NH+]4CCCC4)CCC[C@@H]23)n1	ZINC001092698324	956074125	/nfs/dbraw/zinc/07/41/25/956074125.db2.gz	RUSOBUMWQHSBSC-DNVCBOLYSA-N	1	0	354.458	1.309	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2csc(C)n2)C[C@H]1C	ZINC001092690647	956202890	/nfs/dbraw/zinc/20/28/90/956202890.db2.gz	SSKUOTPVXAXOKQ-KYJSFNMBSA-N	1	0	360.527	1.733	20	30		FDEDRO
C=CCOc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2C)cc1	ZINC001092740496	956236447	/nfs/dbraw/zinc/23/64/47/956236447.db2.gz	OOCHBCSOPWCWHW-NVXWUHKLSA-N	1	0	359.470	1.637	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)c1ccc(C(N)=O)o1	ZINC001092805213	956365817	/nfs/dbraw/zinc/36/58/17/956365817.db2.gz	RCWDDQXHBNKMJE-CZUORRHYSA-N	1	0	366.421	1.748	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@]2(C)CN(c3ccc(C#N)cn3)CCO2)CC[N@@H+]1C	ZINC001092779704	956427268	/nfs/dbraw/zinc/42/72/68/956427268.db2.gz	WWWLCHGSGBARKA-QKLQHJQFSA-N	1	0	371.485	1.395	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(OC)ccc2OC)CC1	ZINC000773114637	956440811	/nfs/dbraw/zinc/44/08/11/956440811.db2.gz	UTZSBVADBROCRI-UHFFFAOYSA-N	1	0	359.426	1.246	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CCOCC)c2)C1	ZINC001197274068	972185022	/nfs/dbraw/zinc/18/50/22/972185022.db2.gz	OPBPVQVRGWYHTC-QZTJIDSGSA-N	1	0	364.490	1.441	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(Br)c(C#N)c1	ZINC001197320862	972194529	/nfs/dbraw/zinc/19/45/29/972194529.db2.gz	XCAXKAIXGNYRGL-LLVKDONJSA-N	1	0	358.261	1.693	20	30		FDEDRO
Cc1nsc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C3)c1C#N	ZINC001092886010	956668458	/nfs/dbraw/zinc/66/84/58/956668458.db2.gz	CBLMKSDRKLBHAS-OEAJRASXSA-N	1	0	359.499	1.889	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2COCCN2CC(F)F)[C@H](C)C1	ZINC001092856206	956703459	/nfs/dbraw/zinc/70/34/59/956703459.db2.gz	YGJDRGOKOYZVAD-MRVWCRGKSA-N	1	0	365.852	1.389	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@H]1CCC(=O)N1C	ZINC001092907579	956742333	/nfs/dbraw/zinc/74/23/33/956742333.db2.gz	QFTQJZKFWMARLM-ZTFGCOKTSA-N	1	0	354.454	1.363	20	30		FDEDRO
CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1)[NH+](CC)CC	ZINC001092910475	956750996	/nfs/dbraw/zinc/75/09/96/956750996.db2.gz	HCBPBOBBNAKIMR-QZWWFDLISA-N	1	0	356.474	1.695	20	30		FDEDRO
CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N)[NH+](CC)CC	ZINC001092911153	956754618	/nfs/dbraw/zinc/75/46/18/956754618.db2.gz	UZMZYJHWTGKXTQ-WTTBNOFXSA-N	1	0	356.474	1.695	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3cnn(C)c3C2)[C@H](C)C1	ZINC001092915332	956770097	/nfs/dbraw/zinc/77/00/97/956770097.db2.gz	LTXXLHASLFLJBU-IVMMDQJWSA-N	1	0	350.894	1.962	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)c1c[nH]c(=O)cn1	ZINC001092921314	956792138	/nfs/dbraw/zinc/79/21/38/956792138.db2.gz	VVSHYZNRMIQAJN-IUODEOHRSA-N	1	0	369.400	1.279	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)c1cccc(=O)n1C	ZINC001092954093	956891218	/nfs/dbraw/zinc/89/12/18/956891218.db2.gz	GIYABPCCFWDSGE-CRAIPNDOSA-N	1	0	364.449	1.755	20	30		FDEDRO
C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ncc(C#N)cc2F)CCC1	ZINC001093023715	957160892	/nfs/dbraw/zinc/16/08/92/957160892.db2.gz	YGKMJHWKEUZJRW-BMFZPTHFSA-N	1	0	357.433	1.803	20	30		FDEDRO
Cc1cc(C#N)nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C3)n1	ZINC001093023651	957161295	/nfs/dbraw/zinc/16/12/95/957161295.db2.gz	WJAQVTKOVKZREG-WCXIOVBPSA-N	1	0	354.458	1.223	20	30		FDEDRO
COC1(OC)CCOC[C@@H]1N[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N	ZINC001197431971	972246811	/nfs/dbraw/zinc/24/68/11/972246811.db2.gz	MEEYQRNZWHAGAU-RISCZKNCSA-N	1	0	351.403	1.463	20	30		FDEDRO
CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1)[NH+](CC)CC	ZINC001093042595	957205128	/nfs/dbraw/zinc/20/51/28/957205128.db2.gz	CCABMQSZGLRIMA-WCVJEAGWSA-N	1	0	356.474	1.695	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@H]2C)nn1	ZINC001093035204	957253792	/nfs/dbraw/zinc/25/37/92/957253792.db2.gz	RVRLBAVAMSMYQI-SZVBFZGTSA-N	1	0	369.469	1.495	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@H]2C)nn1	ZINC001093040484	957265355	/nfs/dbraw/zinc/26/53/55/957265355.db2.gz	QQPDMKIXRWNZCP-IXDOHACOSA-N	1	0	361.490	1.579	20	30		FDEDRO
CCn1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2C)nn1	ZINC001093089721	957520452	/nfs/dbraw/zinc/52/04/52/957520452.db2.gz	BPTISFTXUFXKMO-CZUORRHYSA-N	1	0	370.432	1.807	20	30		FDEDRO
CCn1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2C)nn1	ZINC001093090393	957526958	/nfs/dbraw/zinc/52/69/58/957526958.db2.gz	YKXYJORBEXDYAD-CZUORRHYSA-N	1	0	370.432	1.807	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1CN(c1cnc(C#N)cn1)C2	ZINC001093091137	957531574	/nfs/dbraw/zinc/53/15/74/957531574.db2.gz	ANKLHSNAHAJXSL-KXBFYZLASA-N	1	0	356.474	1.555	20	30		FDEDRO
C[NH+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2ccncc2C#N)C1	ZINC001093115863	957558919	/nfs/dbraw/zinc/55/89/19/957558919.db2.gz	XYEITCYWLCLECA-TZMCWYRMSA-N	1	0	355.364	1.128	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)c1ccccn1)C2	ZINC001110140514	957578472	/nfs/dbraw/zinc/57/84/72/957578472.db2.gz	AHOQHOFDBQNKLG-LMSBXDPUSA-N	1	0	356.470	1.888	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3snnc3C)C[C@H]2C)cn1	ZINC001093142784	957639479	/nfs/dbraw/zinc/63/94/79/957639479.db2.gz	BSFQTGFNYBRHFF-IUODEOHRSA-N	1	0	355.467	1.721	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCO[C@@H]3CC3(F)F)C[C@H]2C)nc1	ZINC001093142924	957639824	/nfs/dbraw/zinc/63/98/24/957639824.db2.gz	JHQYRNALGRZJCK-FRFSOERESA-N	1	0	363.408	1.785	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@H]2C)cn1	ZINC001093142870	957639942	/nfs/dbraw/zinc/63/99/42/957639942.db2.gz	GMZITBOJLARPKH-SJLPKXTDSA-N	1	0	368.481	1.373	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1C	ZINC001093143555	957642968	/nfs/dbraw/zinc/64/29/68/957642968.db2.gz	OIYMZZNHGRABDF-IAGOWNOFSA-N	1	0	364.449	1.987	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1CC[NH2+][C@H]1CCCN(C)C1=O	ZINC001093274527	957944977	/nfs/dbraw/zinc/94/49/77/957944977.db2.gz	QJVWYLZXTWWECH-BMFZPTHFSA-N	1	0	357.458	1.195	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)Cc3cnoc3)C[C@H]2C)C1=O	ZINC001093284407	957964754	/nfs/dbraw/zinc/96/47/54/957964754.db2.gz	GHLGUOCXDXOQLS-DJIMGWMZSA-N	1	0	360.458	1.078	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H]3CCCNC3=O)C2)c1	ZINC001093284617	957965626	/nfs/dbraw/zinc/96/56/26/957965626.db2.gz	JEAFQDYVWFUIOQ-KYJSFNMBSA-N	1	0	354.454	1.029	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)Cc3ccc[nH]3)C[C@H]2C)C1=O	ZINC001093292812	957989702	/nfs/dbraw/zinc/98/97/02/957989702.db2.gz	YGPXUZGBFISELX-NUJGCVRESA-N	1	0	358.486	1.418	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nccnc3N)[C@@H]2C(C)C)C[C@H]1O	ZINC001093433330	958060287	/nfs/dbraw/zinc/06/02/87/958060287.db2.gz	CEGINRFWSNMFQP-NPNMTCQASA-N	1	0	359.474	1.215	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nnn(C)c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093439851	958074106	/nfs/dbraw/zinc/07/41/06/958074106.db2.gz	QKGNNEVBTPIBCT-RRIFGTCXSA-N	1	0	361.490	1.279	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnnn3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001093443447	958085009	/nfs/dbraw/zinc/08/50/09/958085009.db2.gz	QMPFINLZJYBGEY-VYCZESIESA-N	1	0	361.490	1.454	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)ncn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093443578	958085022	/nfs/dbraw/zinc/08/50/22/958085022.db2.gz	PLCMMGLJMBOYMR-SOAMZJECSA-N	1	0	358.486	1.941	20	30		FDEDRO
Cc1ncc(C[NH2+][C@@H]2C[C@]3(CN(C(=O)C#CC4CC4)[C@H]3C(C)C)C[C@H]2O)o1	ZINC001093444050	958088030	/nfs/dbraw/zinc/08/80/30/958088030.db2.gz	YOZAQUSRRDADCT-RMVXJAJNSA-N	1	0	371.481	1.863	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc4[nH]cnc4c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093446007	958092594	/nfs/dbraw/zinc/09/25/94/958092594.db2.gz	FAZQQYSYJYNCOC-PDOICOKGSA-N	1	0	367.453	1.171	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(C4CCC4)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093446070	958092600	/nfs/dbraw/zinc/09/26/00/958092600.db2.gz	FJQUVHHLFGYFOX-WERVVEIQSA-N	1	0	370.497	1.821	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nn(C)cc3Cl)[C@H]2C(C)C)C[C@H]1O	ZINC001093446493	958094854	/nfs/dbraw/zinc/09/48/54/958094854.db2.gz	IIQBIGWEORFOGY-DEICHXMPSA-N	1	0	366.893	1.839	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc4n(n3)CCO4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093448407	958107735	/nfs/dbraw/zinc/10/77/35/958107735.db2.gz	IXCJMQANGGFNGH-LFEHRJTNSA-N	1	0	360.458	1.041	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnn3CCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093448496	958108436	/nfs/dbraw/zinc/10/84/36/958108436.db2.gz	KMTHKXAPWOBQOD-UIXUWTQFSA-N	1	0	358.486	1.506	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nc(C)sc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093448717	958110649	/nfs/dbraw/zinc/11/06/49/958110649.db2.gz	BTOSSNRTNWZNRP-IIHSZXCVSA-N	1	0	361.511	1.973	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc4[nH]ccc4c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093448776	958111631	/nfs/dbraw/zinc/11/16/31/958111631.db2.gz	CHKBSHPUGCSHRP-NEYJZJCJSA-N	1	0	366.465	1.727	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncc(COC)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093449356	958114336	/nfs/dbraw/zinc/11/43/36/958114336.db2.gz	GAPIOILPMYXWAI-ANTGDGSKSA-N	1	0	371.481	1.441	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncc(F)cc3F)[C@@H]2C(C)C)C[C@H]1O	ZINC001093451082	958130121	/nfs/dbraw/zinc/13/01/21/958130121.db2.gz	QSXJXXBRTRFVMI-LFEHRJTNSA-N	1	0	363.408	1.573	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(OCC)n[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093451405	958132680	/nfs/dbraw/zinc/13/26/80/958132680.db2.gz	TXBSDJNGDUQBFU-FXRXJOCMSA-N	1	0	360.458	1.021	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cnccc3OC)[C@H]2C(C)C)C[C@H]1O	ZINC001093451704	958135483	/nfs/dbraw/zinc/13/54/83/958135483.db2.gz	XAUWEKFNAQOMBT-JYWFKMLOSA-N	1	0	371.481	1.232	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)CC2CC[NH+](C)CC2)C[C@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001093464226	958199515	/nfs/dbraw/zinc/19/95/15/958199515.db2.gz	ASHWHIFLMRKVID-LFGUQSLTSA-N	1	0	362.518	1.208	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cc(Cl)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093465262	958203182	/nfs/dbraw/zinc/20/31/82/958203182.db2.gz	IXLIYQVDSHXWHX-JOCBIADPSA-N	1	0	366.893	1.689	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(COC)on3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093466137	958207158	/nfs/dbraw/zinc/20/71/58/958207158.db2.gz	LSKXJUAFHJKGIO-MTNOOBJLSA-N	1	0	361.442	1.034	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nccc4[nH]ccc43)[C@H]2C(C)C)C[C@H]1O	ZINC001093466386	958208737	/nfs/dbraw/zinc/20/87/37/958208737.db2.gz	NEFIDNAAOFJWRU-PLOVASNDSA-N	1	0	366.465	1.776	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccn(C(C)C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093467500	958214243	/nfs/dbraw/zinc/21/42/43/958214243.db2.gz	UCVSYRWZHRXEER-SOAMZJECSA-N	1	0	358.486	1.677	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C4CC4)no3)[C@H]2C(C)C)C[C@H]1O	ZINC001093467561	958216241	/nfs/dbraw/zinc/21/62/41/958216241.db2.gz	UPOVDWUXPNNBTR-HBXLWWENSA-N	1	0	357.454	1.765	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH]c(=O)cc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093468238	958218184	/nfs/dbraw/zinc/21/81/84/958218184.db2.gz	YAADZYCGPSVDSS-ZTRFORPCSA-N	1	0	359.470	1.861	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)nc(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093469872	958224658	/nfs/dbraw/zinc/22/46/58/958224658.db2.gz	MJTHQXLKXDTMAO-XSYGEPLQSA-N	1	0	358.486	1.859	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH]c(C)cc3=O)[C@H]2C(C)C)C[C@H]1O	ZINC001093470840	958230770	/nfs/dbraw/zinc/23/07/70/958230770.db2.gz	AEBVEXKTWRFXER-LBKNJMOBSA-N	1	0	359.470	1.449	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CC=C)C3)[C@@H]2C(C)C)cn1	ZINC001093471928	958236918	/nfs/dbraw/zinc/23/69/18/958236918.db2.gz	HBONDIBNAMOSKK-BNDYYXHWSA-N	1	0	353.466	1.829	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3nnc[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093474469	958248453	/nfs/dbraw/zinc/24/84/53/958248453.db2.gz	VFCRSHMRMTTWCW-OMNBBPDLSA-N	1	0	367.881	1.066	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(C)c3OC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093475353	958252431	/nfs/dbraw/zinc/25/24/31/958252431.db2.gz	XLSQYYMPLLAPJJ-YKTARERQSA-N	1	0	362.474	1.194	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3onc4c3CCCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093452591	958258408	/nfs/dbraw/zinc/25/84/08/958258408.db2.gz	LGPYECYBNWCSAA-REHHDOPLSA-N	1	0	371.481	1.766	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnc(OC)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093452653	958259067	/nfs/dbraw/zinc/25/90/67/958259067.db2.gz	MAMWWMPBHLPFGR-ZTRFORPCSA-N	1	0	359.470	1.856	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3coc(OCC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093454119	958265062	/nfs/dbraw/zinc/26/50/62/958265062.db2.gz	ZFAQGBZWXVUZNG-ZIGSKRJUSA-N	1	0	361.442	1.286	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)nn(C)c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093455384	958273483	/nfs/dbraw/zinc/27/34/83/958273483.db2.gz	MPUTYWZKVIZYBO-HBXLWWENSA-N	1	0	360.502	1.803	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncc(CC)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093456971	958278413	/nfs/dbraw/zinc/27/84/13/958278413.db2.gz	HKAMHXXMUHGMLU-WERVVEIQSA-N	1	0	355.482	1.857	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)NCc1ccco1)C2	ZINC001110146906	958327511	/nfs/dbraw/zinc/32/75/11/958327511.db2.gz	ATYAXYIPCPAVML-PVAVHDDUSA-N	1	0	360.458	1.767	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001093622810	958357606	/nfs/dbraw/zinc/35/76/06/958357606.db2.gz	ATWMPMNYQDGQGW-RDTXWAMCSA-N	1	0	368.412	1.829	20	30		FDEDRO
Cc1c(C(=O)N2C[C@@H](C[NH2+]Cc3cc(F)ccc3C#N)[C@H](C)C2)nnn1C	ZINC001093688127	958506018	/nfs/dbraw/zinc/50/60/18/958506018.db2.gz	IMHXJOGHDVIUCV-MLGOLLRUSA-N	1	0	370.432	1.632	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3ccc(F)nc3)C[C@H]2C)C1=O	ZINC001093675556	958523756	/nfs/dbraw/zinc/52/37/56/958523756.db2.gz	BLIJKUYFVWWTBA-BMFZPTHFSA-N	1	0	360.433	1.305	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093690282	958548533	/nfs/dbraw/zinc/54/85/33/958548533.db2.gz	QRPQTQHYQGTZGG-LZQZEXGQSA-N	1	0	356.470	1.073	20	30		FDEDRO
C[C@@H]([NH2+]CCC(=O)Nc1cccc(S(N)(=O)=O)c1)c1cccc(C#N)c1	ZINC001197680811	972356630	/nfs/dbraw/zinc/35/66/30/972356630.db2.gz	CBZLQUIUZIBSBC-CYBMUJFWSA-N	1	0	372.450	1.885	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1ccc(C(N)=O)cc1	ZINC001093722335	958597645	/nfs/dbraw/zinc/59/76/45/958597645.db2.gz	YCQCFASCCDAROL-CZUORRHYSA-N	1	0	365.437	1.483	20	30		FDEDRO
C[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093725353	958606249	/nfs/dbraw/zinc/60/62/49/958606249.db2.gz	SOJMGSCYMGXNJN-VQIMIIECSA-N	1	0	356.470	1.075	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2COCCN2C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093725846	958610270	/nfs/dbraw/zinc/61/02/70/958610270.db2.gz	HLTGGUQEYFYWAI-ATZDWAIDSA-N	1	0	356.470	1.073	20	30		FDEDRO
C#C[C@@H](NC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCO1	ZINC000773213839	958635669	/nfs/dbraw/zinc/63/56/69/958635669.db2.gz	HONVJHOMBPJQEH-UXHICEINSA-N	1	0	370.497	1.284	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H](C[NH2+]Cc3ccccc3C#N)[C@H](C)C2)o1	ZINC001093754604	958681675	/nfs/dbraw/zinc/68/16/75/958681675.db2.gz	FQPWMYLZUZIVIB-CXAGYDPISA-N	1	0	353.426	1.677	20	30		FDEDRO
CCn1ncc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)c(F)c3)[C@H](C)C2)n1	ZINC001093756357	958689010	/nfs/dbraw/zinc/68/90/10/958689010.db2.gz	NKCLMZQXXXIHMU-CZUORRHYSA-N	1	0	370.432	1.807	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3cc(C)nnc3C)C[C@H]2C)C1=O	ZINC001093795469	958803518	/nfs/dbraw/zinc/80/35/18/958803518.db2.gz	UXVRZIBLVBAMEB-MZMPZRCHSA-N	1	0	371.485	1.178	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C3C=CC=CC=C3)C[C@H]2C)C1=O	ZINC001093797339	958811290	/nfs/dbraw/zinc/81/12/90/958811290.db2.gz	ODTTUJQLUMAAMA-BHIYHBOVSA-N	1	0	355.482	1.756	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C2CC2)[C@H](C)C1	ZINC001093778783	958874303	/nfs/dbraw/zinc/87/43/03/958874303.db2.gz	KEBWCURVJBZILL-SRABZTEZSA-N	1	0	374.489	1.173	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093778560	958874597	/nfs/dbraw/zinc/87/45/97/958874597.db2.gz	XRJWKMJNHVCNPH-OHDICMOHSA-N	1	0	368.481	1.657	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1)S(C)(=O)=O	ZINC001093867004	959046177	/nfs/dbraw/zinc/04/61/77/959046177.db2.gz	HFFYEQCLEUZHDC-FRRDWIJNSA-N	1	0	369.512	1.237	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3cncc(CC)c3)C[C@H]2C)C1=O	ZINC001093920105	959216341	/nfs/dbraw/zinc/21/63/41/959216341.db2.gz	SZUUWXSQSVNJMZ-LZQZEXGQSA-N	1	0	370.497	1.729	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001094000070	959485644	/nfs/dbraw/zinc/48/56/44/959485644.db2.gz	UCTUEFKDDOYIQN-CZUORRHYSA-N	1	0	351.410	1.139	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093981745	959532194	/nfs/dbraw/zinc/53/21/94/959532194.db2.gz	RFNCCPFVIXAQEA-OLMNPRSZSA-N	1	0	354.454	1.221	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)c3nnc(C)[nH]3)[C@H](C)C2)c1	ZINC001094028287	959550562	/nfs/dbraw/zinc/55/05/62/959550562.db2.gz	YTCMMKJGQRORLP-IIYDPXPESA-N	1	0	352.442	1.548	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCCC(=O)N2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001094035458	959571617	/nfs/dbraw/zinc/57/16/17/959571617.db2.gz	HXUJMIJOGAGZRX-ATZDWAIDSA-N	1	0	368.481	1.801	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C2	ZINC001110153293	959667456	/nfs/dbraw/zinc/66/74/56/959667456.db2.gz	RHSCHKCXCQZNBP-IVSAIRAKSA-N	1	0	374.489	1.056	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3cc(C4CC4)n[nH]3)C[C@H]2C)C1=O	ZINC001094064659	959676651	/nfs/dbraw/zinc/67/66/51/959676651.db2.gz	XUNZBJGECARDFF-FVQBIDKESA-N	1	0	371.485	1.372	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001094067382	959684937	/nfs/dbraw/zinc/68/49/37/959684937.db2.gz	IPXMSNGSCLRPEU-CXAGYDPISA-N	1	0	353.401	1.985	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001094074494	959700286	/nfs/dbraw/zinc/70/02/86/959700286.db2.gz	CZOKCZABBBJQAX-CZUORRHYSA-N	1	0	355.417	1.847	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3oc(C)nc3C)[C@H](C)C2)nn1	ZINC001094095838	959774281	/nfs/dbraw/zinc/77/42/81/959774281.db2.gz	YQYUGOPJAVPIQY-IUODEOHRSA-N	1	0	358.446	1.567	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cn(C)nn2)[C@H](C)C1	ZINC001094098977	959780278	/nfs/dbraw/zinc/78/02/78/959780278.db2.gz	RNGDZZYBNMZBAS-LMSBXDPUSA-N	1	0	361.490	1.371	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nonc2C)[C@H](C)C1	ZINC001094098830	959781216	/nfs/dbraw/zinc/78/12/16/959781216.db2.gz	ORXGELYYMRUGGL-KBEGMRNHSA-N	1	0	362.474	1.933	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3nccnc3C)[C@H](C)C2)nn1	ZINC001094099776	959782898	/nfs/dbraw/zinc/78/28/98/959782898.db2.gz	NDFYMHMGIMIKRG-GDBMZVCRSA-N	1	0	369.473	1.451	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+][C@H](C)c3cnccn3)[C@H](C)C2)nn1	ZINC001094100012	959784776	/nfs/dbraw/zinc/78/47/76/959784776.db2.gz	WJCDZQCXDACKGU-BZUAXINKSA-N	1	0	369.473	1.703	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)c2cnon2)C[C@H]1C	ZINC001094124624	959827957	/nfs/dbraw/zinc/82/79/57/959827957.db2.gz	XNGYGSVHRNSJOU-IUODEOHRSA-N	1	0	355.398	1.448	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnc(C)nc2)[C@H](C)C1	ZINC001094103134	959882703	/nfs/dbraw/zinc/88/27/03/959882703.db2.gz	CSKITSTZXNKWGU-OAOYMFHYSA-N	1	0	358.486	1.950	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnc(C)cn2)[C@H](C)C1	ZINC001094103261	959884547	/nfs/dbraw/zinc/88/45/47/959884547.db2.gz	JIRSSUYINAVQGN-JZGRTCEGSA-N	1	0	358.486	1.950	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C[NH2+]Cc2ncccn2)[C@H](C)C1	ZINC001094158779	959929370	/nfs/dbraw/zinc/92/93/70/959929370.db2.gz	HXNMIGVGCAHNAO-HZPDHXFCSA-N	1	0	367.453	1.934	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3cncnc3CC)C[C@H]2C)C1=O	ZINC001094226095	960202538	/nfs/dbraw/zinc/20/25/38/960202538.db2.gz	PYAOCMSBPFCDSU-IIDMSEBBSA-N	1	0	371.485	1.124	20	30		FDEDRO
C#C[C@H]([NH2+][C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2)[C@H]1CCCO1	ZINC000775791126	972487622	/nfs/dbraw/zinc/48/76/22/972487622.db2.gz	SDKFBXYDRIGIFR-TXCZRRACSA-N	1	0	358.438	1.794	20	30		FDEDRO
Cn1cc(C[N@@H+]2CC[C@@]3(CNC(=O)c4ccc(C#N)[nH]4)CCC[C@@H]23)cn1	ZINC001094394178	960342707	/nfs/dbraw/zinc/34/27/07/960342707.db2.gz	FMLHRBJSBFEABU-IEBWSBKVSA-N	1	0	352.442	1.794	20	30		FDEDRO
C[NH+]1CCN(c2ccc(NS(=O)(=O)Cc3ccccn3)cc2C#N)CC1	ZINC001197821700	972497268	/nfs/dbraw/zinc/49/72/68/972497268.db2.gz	WTKRXDVFCNDGBS-UHFFFAOYSA-N	1	0	371.466	1.647	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN(C(=O)C4CC4)C3)CCC[C@@H]12	ZINC001094423915	960421139	/nfs/dbraw/zinc/42/11/39/960421139.db2.gz	DJUJZSMYHFAPMO-WAOWUJCRSA-N	1	0	357.498	1.629	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cncc4ncn(C)c43)CCC[C@@H]12	ZINC001094436373	960479445	/nfs/dbraw/zinc/47/94/45/960479445.db2.gz	OOLPZLAJFLZYBV-YLJYHZDGSA-N	1	0	351.454	1.966	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3c3ncccn3)CCC[C@@H]12	ZINC001094438959	960486363	/nfs/dbraw/zinc/48/63/63/960486363.db2.gz	USEGEUTUAJFUBF-WAOWUJCRSA-N	1	0	367.497	1.830	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccnc4c3CC(=O)N4)CCC[C@@H]12	ZINC001094458741	960558578	/nfs/dbraw/zinc/55/85/78/960558578.db2.gz	XGIOBNAFEGMTMB-OXQOHEQNSA-N	1	0	352.438	1.574	20	30		FDEDRO
C#C[C@H]([NH2+][C@@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1)[C@H]1CCCO1	ZINC000775793037	972516265	/nfs/dbraw/zinc/51/62/65/972516265.db2.gz	IZXKEOHEGPZASD-ZYSHUDEJSA-N	1	0	359.445	1.633	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccnc4c3nnn4C)CCC[C@@H]12	ZINC001094498497	960618594	/nfs/dbraw/zinc/61/85/94/960618594.db2.gz	JXPVLBQSTCAESG-DNVCBOLYSA-N	1	0	354.458	1.914	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccnc4nc(C)nn43)CCC[C@@H]12	ZINC001094560274	960808005	/nfs/dbraw/zinc/80/80/05/960808005.db2.gz	POSHWKFGXGHKAT-VQIMIIECSA-N	1	0	354.458	1.983	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C(=O)N(C)C)cc3)CCC[C@@H]12	ZINC001094563671	960820940	/nfs/dbraw/zinc/82/09/40/960820940.db2.gz	LVKORQMGLAUYMY-WIYYLYMNSA-N	1	0	353.466	1.996	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3n[nH]c(=O)c4ccccc43)CCC[C@@H]12	ZINC001094565094	960827895	/nfs/dbraw/zinc/82/78/95/960827895.db2.gz	MHXRVYHHSPXNKT-OXQOHEQNSA-N	1	0	350.422	1.943	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)c3cccnc3C(N)=O)CCC[C@@H]12	ZINC001094582411	960882586	/nfs/dbraw/zinc/88/25/86/960882586.db2.gz	NQPZEPAXCLEROG-RDTXWAMCSA-N	1	0	362.861	1.907	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2cn(C)nn2)C1	ZINC001181525730	960906384	/nfs/dbraw/zinc/90/63/84/960906384.db2.gz	TVOMOOGDQQNCDZ-VYCZESIESA-N	1	0	361.490	1.371	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc(=O)n4[nH]cnc4n3)CCC[C@@H]12	ZINC001094559431	960914093	/nfs/dbraw/zinc/91/40/93/960914093.db2.gz	SXRSCGVQLLUMEH-DNVCBOLYSA-N	1	0	370.457	1.358	20	30		FDEDRO
C[N@@H+]1C[C@H](C(=O)NCCCNc2ccncc2C#N)[C@@H](c2ccccc2)C1	ZINC001094797885	961146474	/nfs/dbraw/zinc/14/64/74/961146474.db2.gz	QAXXJPGJAOMCFA-MOPGFXCFSA-N	1	0	363.465	1.639	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC(=O)N(C2C[NH+](CC(C)C)C2)C1	ZINC001094791842	961174566	/nfs/dbraw/zinc/17/45/66/961174566.db2.gz	JBKVAHNRGZUCCY-IEZWGBDMSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@]12CCC[C@H]1OCC2	ZINC001171765024	961291004	/nfs/dbraw/zinc/29/10/04/961291004.db2.gz	KGJVOESWLCACSW-FCEWJHQRSA-N	1	0	351.491	1.512	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(N(C)C(=O)Cn2ccnc2)CC1	ZINC000954053237	1013246510	/nfs/dbraw/zinc/24/65/10/1013246510.db2.gz	SIJIJYBFDUQDNI-WMZOPIPTSA-N	1	0	360.458	1.314	20	30		FDEDRO
N=C(c1nonc1N)N(O)C(=O)CC1CC[NH+](Cc2ccccc2)CC1	ZINC001182037076	961357727	/nfs/dbraw/zinc/35/77/27/961357727.db2.gz	TYQCRGOICITSEH-UHFFFAOYSA-N	1	0	358.402	1.497	20	30		FDEDRO
C[C@@H]1C(=O)OC[C@@H]1C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1	ZINC001182085729	961420424	/nfs/dbraw/zinc/42/04/24/961420424.db2.gz	CPAOGWZSVMVOLZ-MGHWNKPDSA-N	1	0	355.438	1.966	20	30		FDEDRO
C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@@H+]([C@H]1CCN3C(=O)CC[C@H]3C1)C2	ZINC001172168077	961524131	/nfs/dbraw/zinc/52/41/31/961524131.db2.gz	BAMHXBUPDKSEDM-BBTUJRGHSA-N	1	0	374.529	1.323	20	30		FDEDRO
COCCC[NH+]1CCC(N2CCCN(c3ccc(C#N)cn3)CC2)CC1	ZINC001172256442	961605092	/nfs/dbraw/zinc/60/50/92/961605092.db2.gz	WQPNUARUGRYSTP-UHFFFAOYSA-N	1	0	357.502	1.966	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](Cc1ccccc1)C(=O)NCC(N)=O	ZINC001172307136	961617889	/nfs/dbraw/zinc/61/78/89/961617889.db2.gz	BVYLWFVKMQOZEG-KXBFYZLASA-N	1	0	364.449	1.292	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)on1)C2	ZINC001110263051	961646145	/nfs/dbraw/zinc/64/61/45/961646145.db2.gz	IXAJBBYCYIXECI-INMHGKMJSA-N	1	0	360.458	1.743	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCCN2CCOCC2)C[C@H]1C#N	ZINC001172969513	961856004	/nfs/dbraw/zinc/85/60/04/961856004.db2.gz	YBWLMDFVRHZUKO-HOTGVXAUSA-N	1	0	352.479	1.590	20	30		FDEDRO
C#CCN(C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1	ZINC000774185151	961858551	/nfs/dbraw/zinc/85/85/51/961858551.db2.gz	GZXBHVRDOKQNLF-CVEARBPZSA-N	1	0	369.531	1.329	20	30		FDEDRO
C[N@H+](CCN1CCOCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1	ZINC001172980288	961865026	/nfs/dbraw/zinc/86/50/26/961865026.db2.gz	MHIKQBYMUNKFJD-CVEARBPZSA-N	1	0	352.479	1.542	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC3(C[C@H](O)CO3)CC2)C[C@H]1C#N	ZINC001172987135	961868618	/nfs/dbraw/zinc/86/86/18/961868618.db2.gz	AYIJRVFDRFEYLV-PMPSAXMXSA-N	1	0	365.474	1.894	20	30		FDEDRO
C#C[C@H](NC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@@H]1CCCO1	ZINC000773365550	961966629	/nfs/dbraw/zinc/96/66/29/961966629.db2.gz	VMVWYUKMDGRNLW-UFYCRDLUSA-N	1	0	370.497	1.455	20	30		FDEDRO
CCCCCCCCC[C@H](CCC)[NH2+][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O	ZINC001173284448	961999720	/nfs/dbraw/zinc/99/97/20/961999720.db2.gz	HFMDLGKAZGKXGA-DOQFWFFUSA-N	1	0	361.523	1.685	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2cnc(C)nc2)C1	ZINC001182669127	962379642	/nfs/dbraw/zinc/37/96/42/962379642.db2.gz	GRTQFRJQLOOKQM-XUMLPFHTSA-N	1	0	358.486	1.950	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2ncc(C)cn2)C1	ZINC001182669673	962380000	/nfs/dbraw/zinc/38/00/00/962380000.db2.gz	VSFFKPOBPRRNSQ-PDOICOKGSA-N	1	0	358.486	1.950	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccncc2)C1	ZINC001182676133	962385400	/nfs/dbraw/zinc/38/54/00/962385400.db2.gz	BUMSUYWEFGMQFT-CEXWTWQISA-N	1	0	370.497	1.800	20	30		FDEDRO
CC1(C#N)CCC([N@@H+]2C[C@@H](NC(=O)c3cnccn3)[C@H]3COC[C@H]32)CC1	ZINC001173595315	962471002	/nfs/dbraw/zinc/47/10/02/962471002.db2.gz	OFKCBOAKTASSFL-IUVLOSHWSA-N	1	0	355.442	1.378	20	30		FDEDRO
CS(=O)(=O)c1ccc(C(=[NH2+])NC2CCN(CC(F)(F)F)CC2)cc1	ZINC001173661397	962546234	/nfs/dbraw/zinc/54/62/34/962546234.db2.gz	OXUNOCHVEJICJA-UHFFFAOYSA-N	1	0	363.405	1.822	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H]1C(=O)NC1CCN(C(=O)c2ccccc2C#N)CC1	ZINC001182869963	962615542	/nfs/dbraw/zinc/61/55/42/962615542.db2.gz	PZWSFEXBLXQPTJ-SFHVURJKSA-N	1	0	354.454	1.762	20	30		FDEDRO
C=C1CCC(C(=O)N2CCOC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC000964212229	1013361290	/nfs/dbraw/zinc/36/12/90/1013361290.db2.gz	LNAMWUICJQCVJT-KBAYOESNSA-N	1	0	363.502	1.417	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H]2CCNC(=O)CC2)c1	ZINC001095282923	962765144	/nfs/dbraw/zinc/76/51/44/962765144.db2.gz	CYVOJQKIAUEXKE-UTXMOHQDSA-N	1	0	355.442	1.138	20	30		FDEDRO
C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COc1ccccc1	ZINC001110181879	963079341	/nfs/dbraw/zinc/07/93/41/963079341.db2.gz	QHEWSEFJHOAODS-UMGGQSCQSA-N	1	0	374.481	1.741	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1ncnn1C	ZINC001175628320	963242392	/nfs/dbraw/zinc/24/23/92/963242392.db2.gz	AZDABKSXQWDUBR-RYRKJORJSA-N	1	0	363.506	1.951	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1ccc(Nc2c(C#N)cnc3c(C#N)cnn32)cc1	ZINC001175807477	963298288	/nfs/dbraw/zinc/29/82/88/963298288.db2.gz	IBWBNSNHFJOYDB-UHFFFAOYSA-N	1	0	374.408	1.508	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@H](CC(=O)NC1(C[NH3+])COC1)c1ccc(C#N)cc1	ZINC001184087135	963426153	/nfs/dbraw/zinc/42/61/53/963426153.db2.gz	ZAEZXJNBAQHYMS-OAHLLOKOSA-N	1	0	374.441	1.358	20	30		FDEDRO
CN(C)c1cc[nH+]cc1NC(=O)[C@H]1CN(c2cccc(C#N)c2)C(=O)O1	ZINC001184373775	963560365	/nfs/dbraw/zinc/56/03/65/963560365.db2.gz	IFZHXPXSVGBCLV-MRXNPFEDSA-N	1	0	351.366	1.983	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2C[C@H]2Cc2ccccc2)C1	ZINC001184483305	963631832	/nfs/dbraw/zinc/63/18/32/963631832.db2.gz	GOZPRMQIZRODDU-CEXWTWQISA-N	1	0	353.466	1.195	20	30		FDEDRO
COC(=O)n1ncc(C#N)c1NC(=O)C1CC[NH+](Cc2ccccn2)CC1	ZINC001177212653	963706581	/nfs/dbraw/zinc/70/65/81/963706581.db2.gz	DIGPDXUVWORCEU-UHFFFAOYSA-N	1	0	368.397	1.615	20	30		FDEDRO
CCC[NH+]1C[C@@H]2CN(C(=O)CN(CCC#N)C(=O)OC(C)(C)C)C[C@H]2C1	ZINC001184856145	963740124	/nfs/dbraw/zinc/74/01/24/963740124.db2.gz	NHHCNXHOZKWOEJ-HZPDHXFCSA-N	1	0	364.490	1.937	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+]([C@H](C)C(N)=O)CC2	ZINC000957552168	1013449452	/nfs/dbraw/zinc/44/94/52/1013449452.db2.gz	HNBFOHVLHNFYDS-ZACQAIPSSA-N	1	0	363.502	1.546	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)COc1ncc(Br)cn1	ZINC001177583354	963898119	/nfs/dbraw/zinc/89/81/19/963898119.db2.gz	DTGOUJCSXYENTG-LBPRGKRZSA-N	1	0	355.236	1.385	20	30		FDEDRO
Cc1csc(N2CCC([NH2+]CCNC(=O)C3N=CC=CC3=O)CC2)n1	ZINC001177816065	963980963	/nfs/dbraw/zinc/98/09/63/963980963.db2.gz	BGZBNMPHYYHKEA-NXVVXOECSA-N	1	0	361.471	1.536	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2ccccc2F)C1	ZINC001185759148	964089783	/nfs/dbraw/zinc/08/97/83/964089783.db2.gz	PENPCCQWMMEGDN-CPUCHLNUSA-N	1	0	361.417	1.546	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C	ZINC000774927676	964111040	/nfs/dbraw/zinc/11/10/40/964111040.db2.gz	YSJYLXMXDPGXOR-CQSZACIVSA-N	1	0	368.275	1.300	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001178458753	964243406	/nfs/dbraw/zinc/24/34/06/964243406.db2.gz	WLYPRNGALXCCNF-HZPDHXFCSA-N	1	0	368.478	1.342	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cc2nnc(C)o2)C1	ZINC001186181405	964332673	/nfs/dbraw/zinc/33/26/73/964332673.db2.gz	WWOUZXCQEDYSJZ-SJLPKXTDSA-N	1	0	370.428	1.915	20	30		FDEDRO
C=CCOCC(=O)NC[C@@H]1C[N@H+](C[C@@H](C)O)CC[C@@H]1c1ccc(F)cc1	ZINC001186180823	964332957	/nfs/dbraw/zinc/33/29/57/964332957.db2.gz	RHLOJMOKPOCGQH-SZVBFZGTSA-N	1	0	364.461	1.931	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)C[C@H]2CCC(=O)N2)C1	ZINC001186203000	964349737	/nfs/dbraw/zinc/34/97/37/964349737.db2.gz	CNDKHNWBJSKIDK-BHIYHBOVSA-N	1	0	371.456	1.649	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC(C)(C)C)C1	ZINC001186212971	964378078	/nfs/dbraw/zinc/37/80/78/964378078.db2.gz	DJVBAAFXBPZEJQ-RYRKJORJSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCCO)C2(C1)CCOCC2	ZINC001186522276	964547273	/nfs/dbraw/zinc/54/72/73/964547273.db2.gz	RUCXUQZHPSSMLR-SQNIBIBYSA-N	1	0	366.502	1.195	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]1CCCO1	ZINC000773790794	964680594	/nfs/dbraw/zinc/68/05/94/964680594.db2.gz	RGUPHGWZRHBCGB-RTBURBONSA-N	1	0	369.465	1.560	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)c3cc[nH]n3)[C@@H]2C1	ZINC001186930053	964840777	/nfs/dbraw/zinc/84/07/77/964840777.db2.gz	GGRGEJVCSIJUAH-YQQAZPJKSA-N	1	0	359.474	1.369	20	30		FDEDRO
C=C[C@@H]1C[C@@]1(NC(=O)c1ccccc1N1CC[NH+](C)CC1)C(=O)OCC	ZINC001186904790	964861309	/nfs/dbraw/zinc/86/13/09/964861309.db2.gz	CRBURIIZFIWDTB-QRWLVFNGSA-N	1	0	357.454	1.676	20	30		FDEDRO
N#CCSCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc4nonc4c3)C[C@H]21	ZINC001186917475	964876831	/nfs/dbraw/zinc/87/68/31/964876831.db2.gz	QSUMGMLKRPMFMC-XJKSGUPXSA-N	1	0	357.439	1.512	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1cccnc1	ZINC001179661861	964947019	/nfs/dbraw/zinc/94/70/19/964947019.db2.gz	QXZXNBGZEYWLDV-ZWKOTPCHSA-N	1	0	356.470	1.201	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCCCCC[NH2+]CC(=O)N1CCC1	ZINC001179781329	964975622	/nfs/dbraw/zinc/97/56/22/964975622.db2.gz	WJCVXXZXKPAYEE-HKUYNNGSSA-N	1	0	365.518	1.856	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCCCC[NH2+][C@@H]1CCC(=O)NC1=O	ZINC001179797214	964993095	/nfs/dbraw/zinc/99/30/95/964993095.db2.gz	RCXBUUKNGKMGJX-UXLLHSPISA-N	1	0	365.474	1.039	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCCCC[NH2+][C@@H]1CCCNC1=O	ZINC001179797167	964993191	/nfs/dbraw/zinc/99/31/91/964993191.db2.gz	OYEYNIRIHXQPEI-BBWFWOEESA-N	1	0	351.491	1.512	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@H+](CCOC[C@H]3CCCCO3)C[C@H]21	ZINC001187325618	965189016	/nfs/dbraw/zinc/18/90/16/965189016.db2.gz	AGQOPOZOPMSAJS-RCCFBDPRSA-N	1	0	352.475	1.307	20	30		FDEDRO
CC(C)[NH+]1CCN(CC(=O)N2CCC[C@@H](Oc3ccc(C#N)cc3)C2)CC1	ZINC001180347236	965239409	/nfs/dbraw/zinc/23/94/09/965239409.db2.gz	XKTZHMNDNQCCDL-HXUWFJFHSA-N	1	0	370.497	1.954	20	30		FDEDRO
COCCOCC(=O)N1CC[C@H]2CN(Cc3cc(C#N)ccc3F)C[C@H]21	ZINC001187343880	965270786	/nfs/dbraw/zinc/27/07/86/965270786.db2.gz	PXNKPUXMVGTWLI-MAUKXSAKSA-N	1	0	361.417	1.393	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(CC)CC)C[C@H]21	ZINC001187479780	965409926	/nfs/dbraw/zinc/40/99/26/965409926.db2.gz	LTZIEAFXWFPFMI-DLBZAZTESA-N	1	0	351.491	1.370	20	30		FDEDRO
CC(C)CNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1	ZINC001187597753	965516465	/nfs/dbraw/zinc/51/64/65/965516465.db2.gz	CFRHAKJTDKMSTA-GRDNDAEWSA-N	1	0	357.458	1.193	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2CN(Cc3ccc(F)cc3F)C[C@H]21	ZINC001187597813	965516657	/nfs/dbraw/zinc/51/66/57/965516657.db2.gz	DNVCYGIRQLRECV-WMLDXEAASA-N	1	0	361.392	1.137	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3c(C)cc(C)cc3C)C[C@H]21	ZINC001187598679	965522204	/nfs/dbraw/zinc/52/22/04/965522204.db2.gz	YVWOXOJINJKLHN-AZUAARDMSA-N	1	0	367.493	1.784	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](CCCc3cccc(C)c3)C[C@H]21	ZINC001187605273	965553864	/nfs/dbraw/zinc/55/38/64/965553864.db2.gz	BKBDDAOIBXVQRQ-VQTJNVASSA-N	1	0	367.493	1.600	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC2)CC1	ZINC000957602641	1013585422	/nfs/dbraw/zinc/58/54/22/1013585422.db2.gz	CKLGWGVOVBVOED-DLBZAZTESA-N	1	0	363.502	1.690	20	30		FDEDRO
C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)NCCCCC#N)cc2)CC1	ZINC000775142342	965689068	/nfs/dbraw/zinc/68/90/68/965689068.db2.gz	LTBNZGZAQRLQSX-UHFFFAOYSA-N	1	0	371.485	1.966	20	30		FDEDRO
CC(C)C#CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(c4ccccc4)C3=O)C[C@H]21	ZINC001187848958	965789214	/nfs/dbraw/zinc/78/92/14/965789214.db2.gz	GHILWGDKGFIUNY-YSIASYRMSA-N	1	0	365.477	1.984	20	30		FDEDRO
C=CCCOCCCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]21	ZINC001187904563	965848369	/nfs/dbraw/zinc/84/83/69/965848369.db2.gz	VJLYHOMRNLLEJZ-OKZBNKHCSA-N	1	0	365.518	1.759	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cccc4c3CCOC4)C[C@H]21	ZINC001187882065	965880476	/nfs/dbraw/zinc/88/04/76/965880476.db2.gz	KCAHUWDFIFVBEY-DJPFJPOOSA-N	1	0	368.477	1.830	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CC4(COC)CC4)[C@@H]3C2)C1=O	ZINC001187890113	965893190	/nfs/dbraw/zinc/89/31/90/965893190.db2.gz	QIFWKXOERVMMFI-YESZJQIVSA-N	1	0	361.486	1.123	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CC[C@H]2CN(CCNS(=O)(=O)CC)C[C@H]21	ZINC001188063459	965986553	/nfs/dbraw/zinc/98/65/53/965986553.db2.gz	JYHIIFHZBYXRQO-LSDHHAIUSA-N	1	0	357.520	1.061	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21	ZINC001188063170	965986661	/nfs/dbraw/zinc/98/66/61/965986661.db2.gz	CTABGYQONQZGRO-YESZJQIVSA-N	1	0	368.543	1.946	20	30		FDEDRO
C=C(C)CCC(=O)N1CC[C@H]2CN(CC(=O)NCc3cccnc3)C[C@H]21	ZINC001188081025	965996870	/nfs/dbraw/zinc/99/68/70/965996870.db2.gz	UXBXJRHCYCYWLZ-ZWKOTPCHSA-N	1	0	356.470	1.587	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCCN3C(=O)CCC3=O)[C@@H]2C1	ZINC001188132069	966048820	/nfs/dbraw/zinc/04/88/20/966048820.db2.gz	ZORSSXMPUPUMKV-IXDOHACOSA-N	1	0	361.486	1.803	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cnn4ccccc34)[C@@H]2C1	ZINC001188229894	966139558	/nfs/dbraw/zinc/13/95/58/966139558.db2.gz	DIRHNCWVJMWZHU-QFBILLFUSA-N	1	0	352.438	1.059	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c(cn3)OCCO4)[C@@H]2C1	ZINC001188230599	966140883	/nfs/dbraw/zinc/14/08/83/966140883.db2.gz	HQIQHQPBEMYRLP-GOEBONIOSA-N	1	0	359.426	1.202	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)c3cn4c(n3)C[C@H](OC)CC4)[C@@H]2C1	ZINC001188329131	966206662	/nfs/dbraw/zinc/20/66/62/966206662.db2.gz	HCJRNBPSDCSVCH-LZLYRXPVSA-N	1	0	358.486	1.957	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4cc(C)nc4C3)[C@@H]2C1	ZINC001188336252	966213363	/nfs/dbraw/zinc/21/33/63/966213363.db2.gz	KECKPUVWUWTJOE-FGTMMUONSA-N	1	0	358.486	1.489	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CS(=O)(=O)CC(C)C)[C@@H]2C1	ZINC001188363687	966235827	/nfs/dbraw/zinc/23/58/27/966235827.db2.gz	YRSHJMPDEUOBSV-IXDOHACOSA-N	1	0	356.532	1.945	20	30		FDEDRO
C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cc(COC)cs3)[C@@H]2C1	ZINC001188463465	966333627	/nfs/dbraw/zinc/33/36/27/966333627.db2.gz	DDXZYTAERIXHMT-LSDHHAIUSA-N	1	0	363.483	1.343	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc4c3CCOC4)[C@@H]2C1	ZINC001188518268	966354483	/nfs/dbraw/zinc/35/44/83/966354483.db2.gz	OSXJUWZRYATEIL-OXJNMPFZSA-N	1	0	354.450	1.555	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C)nc4onc(C)c43)[C@@H]2C1	ZINC001188705708	966509855	/nfs/dbraw/zinc/50/98/55/966509855.db2.gz	DJHGBEIUHFOJQC-DOTOQJQBSA-N	1	0	368.437	1.636	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cnc4cc(C)nn4c3C)[C@@H]2C1	ZINC001188724680	966539523	/nfs/dbraw/zinc/53/95/23/966539523.db2.gz	ZVVKAXCNWRMZIK-FUHWJXTLSA-N	1	0	369.469	1.695	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]32)cc1	ZINC001188744951	966554026	/nfs/dbraw/zinc/55/40/26/966554026.db2.gz	WLIWDMPUUHLTJN-PCCBWWKXSA-N	1	0	370.493	1.848	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cc(C)ccc3C)[C@@H]2C1	ZINC001189018453	966702717	/nfs/dbraw/zinc/70/27/17/966702717.db2.gz	QKJMZVUQTVDYJU-WSTZPKSXSA-N	1	0	367.493	1.517	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC(F)(F)C(F)F)[C@@H]2C1	ZINC001189152026	966798141	/nfs/dbraw/zinc/79/81/41/966798141.db2.gz	XWMPUHXJDWSDJK-SDDRHHMPSA-N	1	0	365.371	1.500	20	30		FDEDRO
CC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001189194382	966815942	/nfs/dbraw/zinc/81/59/42/966815942.db2.gz	FRCJZUWDVGCYNV-IPMKNSEASA-N	1	0	354.454	1.506	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C	ZINC000964523661	1013681147	/nfs/dbraw/zinc/68/11/47/1013681147.db2.gz	HFUKCXFDCCWZLK-VQHPVUNQSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCCC(F)(F)F)[C@@H]2C1	ZINC001189218551	966865690	/nfs/dbraw/zinc/86/56/90/966865690.db2.gz	OHPUKLXVNIRZSV-HZSPNIEDSA-N	1	0	361.408	1.942	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cncc(N4CCCC4)n3)[C@@H]2C1	ZINC001189323920	966911898	/nfs/dbraw/zinc/91/18/98/966911898.db2.gz	AMKZPNGTIHVBPK-FUHWJXTLSA-N	1	0	371.485	1.426	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(OC)cc3)[C@@H]2C1	ZINC001189367304	966948300	/nfs/dbraw/zinc/94/83/00/966948300.db2.gz	CPTNAPVEHDHLDM-MJUUVYJYSA-N	1	0	368.477	1.981	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C(F)(F)F)n[nH]3)[C@@H]2C1	ZINC001189418747	966964125	/nfs/dbraw/zinc/96/41/25/966964125.db2.gz	KNWUKOBRPFGDFP-WCQYABFASA-N	1	0	358.364	1.777	20	30		FDEDRO
N#CCOc1ccc(C[NH+]2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852192383	967080613	/nfs/dbraw/zinc/08/06/13/967080613.db2.gz	BSYRISIWWPKYMZ-UHFFFAOYSA-N	1	0	358.442	1.595	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3nccn4cc(C)nc34)[C@@H]2C1	ZINC001189669229	967135753	/nfs/dbraw/zinc/13/57/53/967135753.db2.gz	UOJVZOPEEFTXPL-JKSUJKDBSA-N	1	0	355.442	1.387	20	30		FDEDRO
C=CCN(CC(=O)NCc1ccc(N2CCCC2=O)cc1)[C@@H](C)COC	ZINC000852358060	967248819	/nfs/dbraw/zinc/24/88/19/967248819.db2.gz	LCINWDGPOOFVBT-INIZCTEOSA-N	1	0	359.470	1.953	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]32)cn1	ZINC001189852176	967356318	/nfs/dbraw/zinc/35/63/18/967356318.db2.gz	YNMZYZXWKLXRMC-HHXXYDBFSA-N	1	0	368.481	1.465	20	30		FDEDRO
COc1ccc(N2CC[NH+](C[C@H](O)CN([C@H](C)C#N)C3CC3)CC2)cc1	ZINC000852479549	967363438	/nfs/dbraw/zinc/36/34/38/967363438.db2.gz	GNNGKGMWIKONQU-APWZRJJASA-N	1	0	358.486	1.555	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCOCC2)CCOCC1	ZINC001110651115	967383218	/nfs/dbraw/zinc/38/32/18/967383218.db2.gz	ODDSZRBHYSFZTJ-QRVBRYPASA-N	1	0	360.498	1.955	20	30		FDEDRO
C#CCN1CCN(C(=O)CN2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)CC1	ZINC000852515150	967386305	/nfs/dbraw/zinc/38/63/05/967386305.db2.gz	QCOYQLYQIULOAS-OAQYLSRUSA-N	1	0	368.525	1.013	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]21	ZINC001189941747	967443069	/nfs/dbraw/zinc/44/30/69/967443069.db2.gz	CXRHLTSLOXXSAK-VQTJNVASSA-N	1	0	367.493	1.610	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)COC[C@H](C)c3ccccc3)[C@@H]2C1	ZINC001189985381	967476613	/nfs/dbraw/zinc/47/66/13/967476613.db2.gz	BFLSTSHNWKXOHQ-SESVDKBCSA-N	1	0	370.493	1.989	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)OCCc3ccccc3)[C@@H]2C1	ZINC001189992739	967484720	/nfs/dbraw/zinc/48/47/20/967484720.db2.gz	RLIKTIASBNQVGZ-HLAWJBBLSA-N	1	0	370.493	1.817	20	30		FDEDRO
C#C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C1CCOCC1	ZINC000852642224	967494600	/nfs/dbraw/zinc/49/46/00/967494600.db2.gz	JMTRDCSYVWTYCF-IPMKNSEASA-N	1	0	363.502	1.482	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CNC(=O)c3cccs3)[C@@H]2C1	ZINC001190042982	967514076	/nfs/dbraw/zinc/51/40/76/967514076.db2.gz	XPDHWHFXNBGLLY-LSDHHAIUSA-N	1	0	363.483	1.213	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Oc3cccc(C)c3)[C@@H]2C1	ZINC001190059415	967523126	/nfs/dbraw/zinc/52/31/26/967523126.db2.gz	RZYZSBCZJFXZJQ-WSTZPKSXSA-N	1	0	356.466	1.945	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3NC(=O)NC3=O)[C@@H]2C1	ZINC001190081158	967548781	/nfs/dbraw/zinc/54/87/81/967548781.db2.gz	GOLCGWJYCVJKPM-ARFHVFGLSA-N	1	0	364.490	1.478	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3ccc(C)cc3)[C@@H]2C1	ZINC001190125164	967583816	/nfs/dbraw/zinc/58/38/16/967583816.db2.gz	NUFSPEDOOUFVNG-FUHWJXTLSA-N	1	0	357.454	1.669	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCn2ccnn2)C3)c1	ZINC001110655210	967597756	/nfs/dbraw/zinc/59/77/56/967597756.db2.gz	BXNXAYJCAOSFND-QRVBRYPASA-N	1	0	364.453	1.852	20	30		FDEDRO
CC[C@H](NC(=O)C#CC1CC[NH2+]CC1)c1ccccc1OCC(=O)NC	ZINC000852814130	967627230	/nfs/dbraw/zinc/62/72/30/967627230.db2.gz	RPNUHOMHPVUEGO-KRWDZBQOSA-N	1	0	357.454	1.382	20	30		FDEDRO
COc1ccc(CCC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c(Br)c1	ZINC000852827307	967638591	/nfs/dbraw/zinc/63/85/91/967638591.db2.gz	GFGWNDDEMKQEST-BXUZGUMPSA-N	1	0	352.232	1.618	20	30		FDEDRO
COc1ccc(Cl)cc1NC(=O)CCNC(=O)C#CC1CC[NH2+]CC1	ZINC000852850702	967656229	/nfs/dbraw/zinc/65/62/29/967656229.db2.gz	IHFAMLJHUKNZDD-UHFFFAOYSA-N	1	0	363.845	1.796	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1	ZINC000852851526	967657065	/nfs/dbraw/zinc/65/70/65/967657065.db2.gz	FZOUGLQTSBUPJK-CEXWTWQISA-N	1	0	351.450	1.263	20	30		FDEDRO
C[C@H]1CN(Cc2cccc(CNC(=O)C#CC3CC[NH2+]CC3)c2)CCO1	ZINC000852862818	967668290	/nfs/dbraw/zinc/66/82/90/967668290.db2.gz	KWHULKHBKGHLTK-KRWDZBQOSA-N	1	0	355.482	1.527	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N[C@H](Cc1ccccc1)CN1CCOCC1	ZINC000852867056	967673795	/nfs/dbraw/zinc/67/37/95/967673795.db2.gz	OXZOHNOWZJELBJ-HXUWFJFHSA-N	1	0	355.482	1.049	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NCCN1CCN(c2cccc(Cl)c2)CC1	ZINC000852873330	967680410	/nfs/dbraw/zinc/68/04/10/967680410.db2.gz	RXHSWHJERFKGNJ-UHFFFAOYSA-N	1	0	374.916	1.581	20	30		FDEDRO
CN(C[C@@H]1CCC[N@H+](CCCOc2ccc(C#N)cc2)C1)S(C)(=O)=O	ZINC000796123380	1013749558	/nfs/dbraw/zinc/74/95/58/1013749558.db2.gz	WGBJQTOLBNJRTF-KRWDZBQOSA-N	1	0	365.499	1.931	20	30		FDEDRO
C=C(Br)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2	ZINC001110662519	967938162	/nfs/dbraw/zinc/93/81/62/967938162.db2.gz	NZVHRQXDZVDDGB-APIJFGDWSA-N	1	0	356.308	1.957	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC)C1	ZINC001111564755	968187561	/nfs/dbraw/zinc/18/75/61/968187561.db2.gz	GIHISFIZKIOUDK-DEYYWGMASA-N	1	0	350.463	1.158	20	30		FDEDRO
CC[NH+](CC)C[C@H]1CN(S(=O)(=O)c2cc(C#N)ccc2Cl)CCO1	ZINC001190962640	968203422	/nfs/dbraw/zinc/20/34/22/968203422.db2.gz	JRRLRQQOJSGVRW-AWEZNQCLSA-N	1	0	371.890	1.943	20	30		FDEDRO
C#Cc1ccccc1C(=O)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1	ZINC001191107554	968277584	/nfs/dbraw/zinc/27/75/84/968277584.db2.gz	SBKSYLOTCVQCKU-UHFFFAOYSA-N	1	0	372.432	1.995	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O	ZINC001192054350	968931485	/nfs/dbraw/zinc/93/14/85/968931485.db2.gz	QUAOKVHURSTOGU-KZNAEPCWSA-N	1	0	354.491	1.072	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@H+](C[C@H](OC)C2CCCC2)C[C@H]1O	ZINC001192054713	968932939	/nfs/dbraw/zinc/93/29/39/968932939.db2.gz	ZAIBCCZRDULKGY-KURKYZTESA-N	1	0	354.491	1.336	20	30		FDEDRO
COc1cc(C#N)ccc1C(=O)N1Cc2nccn2C[C@@H](C[NH+](C)C)C1	ZINC001192256411	969009621	/nfs/dbraw/zinc/00/96/21/969009621.db2.gz	GAFOLKSZTJERCC-OAHLLOKOSA-N	1	0	353.426	1.597	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1cc(Br)cc2c1OCCO2	ZINC000854664600	969067385	/nfs/dbraw/zinc/06/73/85/969067385.db2.gz	YFCHKCGKRBRDGC-UHFFFAOYSA-N	1	0	367.243	1.905	20	30		FDEDRO
CO[C@@H](C)CCC(=O)N[C@@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@H]1O	ZINC001192353041	969081054	/nfs/dbraw/zinc/08/10/54/969081054.db2.gz	QITIKHOTMUOMRV-BMGDILEWSA-N	1	0	364.873	1.668	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCOc2cc(C)ccc2C)C[C@H]1O	ZINC001192547872	969157858	/nfs/dbraw/zinc/15/78/58/969157858.db2.gz	VTLSIMIKVLFNHR-MBOZVWFJSA-N	1	0	362.470	1.171	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)/C=C(\C)CC)C1	ZINC001192722085	969266391	/nfs/dbraw/zinc/26/63/91/969266391.db2.gz	IADJHJQDOHTOLM-LIDKQAOQSA-N	1	0	351.491	1.317	20	30		FDEDRO
Cc1cccc(C)c1OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C1	ZINC001192804568	969307747	/nfs/dbraw/zinc/30/77/47/969307747.db2.gz	FLGQLVGRIIQRSR-RTBURBONSA-N	1	0	358.482	1.893	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1C[N@H+](CCCOc2cccc(Cl)c2)C[C@H]1O	ZINC001192804981	969308751	/nfs/dbraw/zinc/30/87/51/969308751.db2.gz	MZPWIWQBDJXXSD-QZTJIDSGSA-N	1	0	364.873	1.930	20	30		FDEDRO
C[C@@H](CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1)OCc1ccccc1	ZINC001192821117	969315430	/nfs/dbraw/zinc/31/54/30/969315430.db2.gz	HUEMYTYRHPEFIR-PWIZWCRZSA-N	1	0	356.466	1.557	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc3ccccc3s2)C[C@H]1O	ZINC001192892400	969351118	/nfs/dbraw/zinc/35/11/18/969351118.db2.gz	XEAVHXUKLWUZIK-IAOVAPTHSA-N	1	0	358.463	1.601	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(OCCOC)c2)C1	ZINC001192899097	969353478	/nfs/dbraw/zinc/35/34/78/969353478.db2.gz	GYLFUJHVZYVWKZ-USXIJHARSA-N	1	0	363.458	1.236	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1O	ZINC001192925095	969383076	/nfs/dbraw/zinc/38/30/76/969383076.db2.gz	TZRRTNCXJLKHLD-RCCFBDPRSA-N	1	0	354.491	1.337	20	30		FDEDRO
COc1cc(N2CCC([NH+](C)C)CC2)ccc1NS(=O)(=O)CC#N	ZINC001192988021	969394107	/nfs/dbraw/zinc/39/41/07/969394107.db2.gz	HCQFJXHHFKXWPK-UHFFFAOYSA-N	1	0	352.460	1.491	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)c2ccoc2)C1	ZINC001193173726	969502642	/nfs/dbraw/zinc/50/26/42/969502642.db2.gz	CWHYHALUFWRYRJ-DJIMGWMZSA-N	1	0	365.474	1.530	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(C)C)C1	ZINC001193268815	969598582	/nfs/dbraw/zinc/59/85/82/969598582.db2.gz	VJEVCEOHSSKFJY-HZPDHXFCSA-N	1	0	353.507	1.255	20	30		FDEDRO
C#Cc1cccc(NC(=O)NC(=O)C[N@H+](C)CCCNC(=O)C2CCC2)c1	ZINC001193346117	969646770	/nfs/dbraw/zinc/64/67/70/969646770.db2.gz	LUVFMTRWGOHULU-UHFFFAOYSA-N	1	0	370.453	1.554	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccc(F)cc2)C[C@H]1O	ZINC001193400299	969681998	/nfs/dbraw/zinc/68/19/98/969681998.db2.gz	LVHWXMVFLVFANI-RCCFBDPRSA-N	1	0	350.434	1.247	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CCCON2C(=O)c3ccccc3C2=O)CC1	ZINC001193772260	969843520	/nfs/dbraw/zinc/84/35/20/969843520.db2.gz	AZOGBDUZEVCYPO-UHFFFAOYSA-N	1	0	369.421	1.066	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)oc3nc[nH]c(=O)c32)C1	ZINC001193782090	969847680	/nfs/dbraw/zinc/84/76/80/969847680.db2.gz	RZWYMCLOYSDMJL-CYZMBNFOSA-N	1	0	360.414	1.366	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc3ncn(C)c32)C1	ZINC001193891969	969909567	/nfs/dbraw/zinc/90/95/67/969909567.db2.gz	BHVJYNIGRBWNCJ-IAGOWNOFSA-N	1	0	359.474	1.714	20	30		FDEDRO
CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)C1	ZINC000776752975	969929106	/nfs/dbraw/zinc/92/91/06/969929106.db2.gz	PZXVDKRQHYMHCW-JQFCIGGWSA-N	1	0	358.442	1.931	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCc2ccc(OC)nc2)C1	ZINC001194102120	970017658	/nfs/dbraw/zinc/01/76/58/970017658.db2.gz	CFDYWBHCLIKWPM-DJIMGWMZSA-N	1	0	363.458	1.123	20	30		FDEDRO
N#Cc1cncc(C(=O)N(c2ncccc2F)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1	ZINC001194105313	970019729	/nfs/dbraw/zinc/01/97/29/970019729.db2.gz	QBPULGCNMMPXFL-HNAYVOBHSA-N	1	0	367.384	1.655	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1C[N@H+](CCCCCOC)C[C@H]1O	ZINC001194190698	970043034	/nfs/dbraw/zinc/04/30/34/970043034.db2.gz	CFMXEJBUTYRSAT-QZTJIDSGSA-N	1	0	362.470	1.843	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3cn[nH]c3)cn2)C1	ZINC001194235534	970065429	/nfs/dbraw/zinc/06/54/29/970065429.db2.gz	LEHFZCIPLFYVTL-MORSLUCNSA-N	1	0	355.442	1.601	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1O	ZINC001194235225	970065812	/nfs/dbraw/zinc/06/58/12/970065812.db2.gz	HRARDEIXEUEYSR-QZTJIDSGSA-N	1	0	361.461	1.069	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3ccnc3)n2)C1	ZINC001194308683	970095664	/nfs/dbraw/zinc/09/56/64/970095664.db2.gz	NFOAVIUOZKGDGR-QZTJIDSGSA-N	1	0	369.469	1.789	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCOC[C@@H]2CCCO2)C1	ZINC001194342593	970144247	/nfs/dbraw/zinc/14/42/47/970144247.db2.gz	MPTZDQSFQSUDAJ-RCCFBDPRSA-N	1	0	354.491	1.480	20	30		FDEDRO
CC(=[NH+]NC1CCS(=O)(=O)CC1)c1cccc(N2CCOCC2)c1	ZINC000776796660	970166396	/nfs/dbraw/zinc/16/63/96/970166396.db2.gz	SDPCDWAOGYWGPG-UHFFFAOYSA-N	1	0	351.472	1.414	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nn(C)c2Cl)C1	ZINC001194423919	970167015	/nfs/dbraw/zinc/16/70/15/970167015.db2.gz	HVCVXZDVEMHONM-HZPDHXFCSA-N	1	0	368.909	1.832	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1C[C@H]2CC[N@H+](C)[C@H]2C1	ZINC001194519695	970214222	/nfs/dbraw/zinc/21/42/22/970214222.db2.gz	SJUZFIZJGWXAKG-JZXOWHBKSA-N	1	0	356.470	1.966	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c(C)cc3ccccc32)C1	ZINC001194507653	970224811	/nfs/dbraw/zinc/22/48/11/970224811.db2.gz	MCKVGOOKUAVIEV-IEBWSBKVSA-N	1	0	357.454	1.314	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccc(OC)c(F)c2)C1	ZINC001194651670	970287609	/nfs/dbraw/zinc/28/76/09/970287609.db2.gz	HNNBYLARCQVNHB-IAGOWNOFSA-N	1	0	366.433	1.131	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COc3ccc(Cl)cc32)C1	ZINC001194652971	970289893	/nfs/dbraw/zinc/28/98/93/970289893.db2.gz	YZKCDNZHUMSDCL-ARFHVFGLSA-N	1	0	366.845	1.180	20	30		FDEDRO
N#Cc1cccc(OCC(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1	ZINC000855402079	970333946	/nfs/dbraw/zinc/33/39/46/970333946.db2.gz	UFIWZOZENPRDBK-LJQANCHMSA-N	1	0	365.433	1.820	20	30		FDEDRO
COC(=O)N1CCC([C@H](C)[NH2+]CC(=O)NCc2ccc(C#N)cc2)CC1	ZINC000776811764	970370000	/nfs/dbraw/zinc/37/00/00/970370000.db2.gz	VUJRPJNEGZRDMM-AWEZNQCLSA-N	1	0	358.442	1.631	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N(CC)[C@H]2CC[N@H+](CC)C2)c1	ZINC000855491001	970412692	/nfs/dbraw/zinc/41/26/92/970412692.db2.gz	UCOCEJCELBAWRV-INIZCTEOSA-N	1	0	363.483	1.154	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(CC)c1	ZINC001110462008	970430179	/nfs/dbraw/zinc/43/01/79/970430179.db2.gz	SXYCUBPQIWPFCL-QRVBRYPASA-N	1	0	353.466	1.610	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2CCCC)C1	ZINC001194987752	970588840	/nfs/dbraw/zinc/58/88/40/970588840.db2.gz	CVCLVVKPUXPTOD-GUDVDZBRSA-N	1	0	369.550	1.619	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCN2CCCC)C1	ZINC001194998017	970599523	/nfs/dbraw/zinc/59/95/23/970599523.db2.gz	WTHRMHKAQMLKTI-CEXWTWQISA-N	1	0	367.534	1.395	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2[C@H]2CCOC2)C1	ZINC001195007123	970611956	/nfs/dbraw/zinc/61/19/56/970611956.db2.gz	XUUKFGRUVVWHJY-USXIJHARSA-N	1	0	364.490	1.659	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C)c(F)c1	ZINC001110465440	970657543	/nfs/dbraw/zinc/65/75/43/970657543.db2.gz	COYVDOMIXYETKQ-NXHRZFHOSA-N	1	0	357.429	1.495	20	30		FDEDRO
CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)C1	ZINC000775634569	970670625	/nfs/dbraw/zinc/67/06/25/970670625.db2.gz	UTBINHMOCKVFML-HAPAKHMDSA-N	1	0	371.384	1.470	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccc(C)c(Cl)c2)C1	ZINC001195100857	970689481	/nfs/dbraw/zinc/68/94/81/970689481.db2.gz	SKQYOSOIAOEQEO-QZTJIDSGSA-N	1	0	366.889	1.945	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C[C@H]2C)CC1	ZINC000957929396	1014026878	/nfs/dbraw/zinc/02/68/78/1014026878.db2.gz	MGJGJWUWMPXYRJ-GYFISPQKSA-N	1	0	357.498	1.341	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc[nH]c2CCC)C[C@H]1C	ZINC000957937805	1014031953	/nfs/dbraw/zinc/03/19/53/1014031953.db2.gz	BOVFGTPJLJKINV-LZQZEXGQSA-N	1	0	370.497	1.642	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1	ZINC000855822359	970703881	/nfs/dbraw/zinc/70/38/81/970703881.db2.gz	KKIZNPCFWITLGU-INIZCTEOSA-N	1	0	351.472	1.537	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cccn3)nc2)C1	ZINC001195128008	970708256	/nfs/dbraw/zinc/70/82/56/970708256.db2.gz	DMNDBLBCDSKKOC-QZTJIDSGSA-N	1	0	369.469	1.789	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1ccc(F)cc1	ZINC001110466307	970720743	/nfs/dbraw/zinc/72/07/43/970720743.db2.gz	KUMWFWBFDDCFTG-LIRZEXBASA-N	1	0	357.429	1.748	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C1	ZINC001195171749	970748184	/nfs/dbraw/zinc/74/81/84/970748184.db2.gz	AJIIVGJBUKBKCA-ARFHVFGLSA-N	1	0	355.523	1.669	20	30		FDEDRO
C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CCCCCCCCCC)C1	ZINC001198069327	972759878	/nfs/dbraw/zinc/75/98/78/972759878.db2.gz	WPTFIWOLEUFPQQ-QZTJIDSGSA-N	1	0	367.534	1.981	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCc3ccccc3C2)C1	ZINC001198127551	972768154	/nfs/dbraw/zinc/76/81/54/972768154.db2.gz	RJMDIQUWHCNASR-PWIZWCRZSA-N	1	0	358.482	1.546	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)CCc1c(C)nc2ncnn2c1C	ZINC000119432712	972851724	/nfs/dbraw/zinc/85/17/24/972851724.db2.gz	IEEUCQVYFZHLEU-AWEZNQCLSA-N	1	0	357.458	1.951	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3nnn(C)c3c2)C1	ZINC001198186006	972903269	/nfs/dbraw/zinc/90/32/69/972903269.db2.gz	LTVZDPZXVQECKO-SJLPKXTDSA-N	1	0	359.474	1.714	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)c2ccccc2)C1	ZINC001198248651	972931500	/nfs/dbraw/zinc/93/15/00/972931500.db2.gz	WDOJDOLTMIYBPE-QXAKKESOSA-N	1	0	362.470	1.171	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COc3ccccc3O2)C1	ZINC001198304769	972971019	/nfs/dbraw/zinc/97/10/19/972971019.db2.gz	LUSISAQHOJPTEQ-GPMSIDNRSA-N	1	0	360.454	1.734	20	30		FDEDRO
C=C[C@H](O)C(=O)Nc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc[nH+]1	ZINC000863545975	973000782	/nfs/dbraw/zinc/00/07/82/973000782.db2.gz	CRNHPFSVUPNHOO-AWEZNQCLSA-N	1	0	362.430	1.624	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(CC[NH2+]C[C@H](O)CC2(C#N)CC2)CC1	ZINC000863550995	973007317	/nfs/dbraw/zinc/00/73/17/973007317.db2.gz	HKROOCSYQHFJRW-OAHLLOKOSA-N	1	0	352.479	1.183	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]Cc2ccc(N3CCOC3=O)cc2)CCOCC1	ZINC000863553871	973011537	/nfs/dbraw/zinc/01/15/37/973011537.db2.gz	LLVQWBJMPPCDCI-QGZVFWFLSA-N	1	0	359.426	1.804	20	30		FDEDRO
C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+]C[C@@H](O)CC1(C#N)CCOCC1	ZINC000863564140	973019210	/nfs/dbraw/zinc/01/92/10/973019210.db2.gz	WECZEQWLXXVOMA-CABCVRRESA-N	1	0	355.479	1.903	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2	ZINC000863572742	973025316	/nfs/dbraw/zinc/02/53/16/973025316.db2.gz	QBLAIXGLPNGGFB-JKSUJKDBSA-N	1	0	366.506	1.714	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)CCC)C1	ZINC001198955495	973735526	/nfs/dbraw/zinc/73/55/26/973735526.db2.gz	FPOUFKURQFOIPO-FGTMMUONSA-N	1	0	367.534	1.909	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CN1CCCCC(=O)C1=O	ZINC000864911902	973941869	/nfs/dbraw/zinc/94/18/69/973941869.db2.gz	ZRMRPXZGZWKBSP-UHFFFAOYSA-N	1	0	370.453	1.030	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@H]1O	ZINC001199307297	974147126	/nfs/dbraw/zinc/14/71/26/974147126.db2.gz	HCRBLCULKZSSHU-RTBURBONSA-N	1	0	360.454	1.013	20	30		FDEDRO
COc1cccc([C@H](C#N)NC(=O)c2cnn(CC[NH+](C)C)c2)c1OC	ZINC000865175002	974160590	/nfs/dbraw/zinc/16/05/90/974160590.db2.gz	NKSNAZLGKJKIGX-HNNXBMFYSA-N	1	0	357.414	1.457	20	30		FDEDRO
C=CCOCc1nn(C)c2c1CN(C(=O)c1c[nH+]ccc1N(C)C)CC2	ZINC001199350673	974176240	/nfs/dbraw/zinc/17/62/40/974176240.db2.gz	VBQLIXDHFYMRGK-UHFFFAOYSA-N	1	0	355.442	1.782	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)C2CCC2)C1	ZINC001199498498	974304633	/nfs/dbraw/zinc/30/46/33/974304633.db2.gz	MWXAZMIOCBBUSM-USXIJHARSA-N	1	0	353.507	1.423	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]CCS(=O)(=O)N1CCSCC1	ZINC000865456944	974309129	/nfs/dbraw/zinc/30/91/29/974309129.db2.gz	PSHISNPCFAMZAJ-UHFFFAOYSA-N	1	0	368.528	1.092	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]CCNS(=O)(=O)c1cccs1	ZINC000865506714	974331556	/nfs/dbraw/zinc/33/15/56/974331556.db2.gz	SUMSOTROOCOBKP-UHFFFAOYSA-N	1	0	364.496	1.754	20	30		FDEDRO
NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC([NH2+]CC#Cc3ccc(F)cc3)CC2)C1	ZINC001202518329	974398095	/nfs/dbraw/zinc/39/80/95/974398095.db2.gz	RXXYORFNUTYVLG-SJORKVTESA-N	1	0	371.456	1.659	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COc1ccccc1F	ZINC001110539469	974411430	/nfs/dbraw/zinc/41/14/30/974411430.db2.gz	UVBJGLGIBZWKHR-JFRXWTBNSA-N	1	0	374.456	1.946	20	30		FDEDRO
N#Cc1cnc(C(=O)N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cn1	ZINC001199665182	974451046	/nfs/dbraw/zinc/45/10/46/974451046.db2.gz	OKNGNGLLBZJSLH-UHFFFAOYSA-N	1	0	362.437	1.872	20	30		FDEDRO
Cn1cc(C[NH2+]C[C@]23COC(=O)N2CCOC3)c(-c2ccc(C#N)cc2)n1	ZINC000865770991	974477008	/nfs/dbraw/zinc/47/70/08/974477008.db2.gz	WLRFBEIYVXJUOQ-IBGZPJMESA-N	1	0	367.409	1.270	20	30		FDEDRO
COCC[N@H+](C)CCN1C[C@@H](Nc2nc(Cl)c(C#N)s2)CC1=O	ZINC000865887461	974549266	/nfs/dbraw/zinc/54/92/66/974549266.db2.gz	WFQIYIGJNHJFHD-JTQLQIEISA-N	1	0	357.867	1.259	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCC)CC1	ZINC000866015787	974623811	/nfs/dbraw/zinc/62/38/11/974623811.db2.gz	SDPVCXXHRLUIPD-IBGZPJMESA-N	1	0	371.481	1.948	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)NCCCC)CC1	ZINC001200627827	974847861	/nfs/dbraw/zinc/84/78/61/974847861.db2.gz	HGJBMFDGYFNBAL-SJORKVTESA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2c2nccn2C)CCCO1	ZINC001200721317	974881971	/nfs/dbraw/zinc/88/19/71/974881971.db2.gz	KEPPLPXHBVEXFL-BRWVUGGUSA-N	1	0	362.474	1.281	20	30		FDEDRO
C#C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1CCCO1	ZINC000776155927	975006907	/nfs/dbraw/zinc/00/69/07/975006907.db2.gz	DIJZHGBKBIAPSE-UXHICEINSA-N	1	0	371.481	1.623	20	30		FDEDRO
CC[C@H](C#N)Oc1cccc(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)c1	ZINC000776185713	975039873	/nfs/dbraw/zinc/03/98/73/975039873.db2.gz	KSRXBAQMSYOLLL-XAUUPUKJSA-N	1	0	356.426	1.978	20	30		FDEDRO
C[C@@H]1CCO[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CC#Cc2ccccc2)C1	ZINC001201431160	975045856	/nfs/dbraw/zinc/04/58/56/975045856.db2.gz	WGRBNOLVDRYKBB-RLLQIKCJSA-N	1	0	356.466	1.670	20	30		FDEDRO
C#C[C@H](NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)[C@@H]1CCCO1	ZINC000776176588	975050961	/nfs/dbraw/zinc/05/09/61/975050961.db2.gz	MWJYCYJUBBSCJW-AABGKKOBSA-N	1	0	371.481	1.623	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1	ZINC000867403237	975140471	/nfs/dbraw/zinc/14/04/71/975140471.db2.gz	XJBBBEDUTZPXCQ-RTBURBONSA-N	1	0	366.465	1.625	20	30		FDEDRO
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1	ZINC000847317858	975465985	/nfs/dbraw/zinc/46/59/85/975465985.db2.gz	ZMJBEEYCCSLNQP-BBWFWOEESA-N	1	0	358.442	1.328	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)n1	ZINC000847445869	975634207	/nfs/dbraw/zinc/63/42/07/975634207.db2.gz	IENCZRWJCAOFGJ-OALUTQOASA-N	1	0	373.501	1.691	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1	ZINC000866792316	976056680	/nfs/dbraw/zinc/05/66/80/976056680.db2.gz	YTRONZNACXOHPY-MRXNPFEDSA-N	1	0	367.446	1.619	20	30		FDEDRO
COCCN(C)N=C(C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1	ZINC000794966653	976383920	/nfs/dbraw/zinc/38/39/20/976383920.db2.gz	VNHVIWVLUADCRY-UHFFFAOYSA-N	1	0	370.519	1.219	20	30		FDEDRO
N#Cc1c(F)cccc1S(=O)(=O)N1CCCN(c2cc[nH+]cc2)CC1	ZINC000867706156	976688708	/nfs/dbraw/zinc/68/87/08/976688708.db2.gz	XASQNBOYOMBMSK-UHFFFAOYSA-N	1	0	360.414	1.993	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	ZINC000848410964	976722113	/nfs/dbraw/zinc/72/21/13/976722113.db2.gz	LGTTZNUPYLUIFH-QGZVFWFLSA-N	1	0	362.449	1.814	20	30		FDEDRO
COC(=O)c1ccc2c(c1)[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)CCC2	ZINC000848534183	976894487	/nfs/dbraw/zinc/89/44/87/976894487.db2.gz	NRZXXJYGGFWFRI-OZNQOIHVSA-N	1	0	369.421	1.967	20	30		FDEDRO
COc1ccc(N2CC[NH+](CCNc3ccc(C#N)c(N)n3)CC2)cc1	ZINC000848658574	976981946	/nfs/dbraw/zinc/98/19/46/976981946.db2.gz	XDQAORGZWJXMAP-UHFFFAOYSA-N	1	0	352.442	1.778	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)COC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000848774852	977082971	/nfs/dbraw/zinc/08/29/71/977082971.db2.gz	NYJJJMZPFJWJHB-SFHVURJKSA-N	1	0	368.437	1.708	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCCNC(=O)c1cccs1	ZINC000867927593	977099821	/nfs/dbraw/zinc/09/98/21/977099821.db2.gz	JTOLEPUGVWUDCQ-MRXNPFEDSA-N	1	0	354.435	1.353	20	30		FDEDRO
CN(C)C(=O)C1(CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CCCC1	ZINC000867927251	977100417	/nfs/dbraw/zinc/10/04/17/977100417.db2.gz	DHQHTZAPMHAICD-QGZVFWFLSA-N	1	0	354.454	1.510	20	30		FDEDRO
Cc1noc([C@H]2CCCN(C(=O)[C@@H]3[NH2+]CCc4cc(C#N)ccc43)C2)n1	ZINC000867927847	977101225	/nfs/dbraw/zinc/10/12/25/977101225.db2.gz	PYBMQGDRGXBMSH-DOTOQJQBSA-N	1	0	351.410	1.843	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1C[C@H](C(N)=O)Cc2ccccc21	ZINC000867949433	977129966	/nfs/dbraw/zinc/12/99/66/977129966.db2.gz	YHBAGCPZVCOFRF-VQIMIIECSA-N	1	0	360.417	1.436	20	30		FDEDRO
C[NH+]=C(NCc1ccco1)NCc1ccc(C(=O)N2CCOCC2)cc1	ZINC000849021138	977291503	/nfs/dbraw/zinc/29/15/03/977291503.db2.gz	TUJLQQBGVVTVQK-UHFFFAOYSA-N	1	0	356.426	1.617	20	30		FDEDRO
C[NH+]=C(NCCN1CCN(c2ccc(F)cc2)CC1)NCc1ccco1	ZINC000849049549	977292753	/nfs/dbraw/zinc/29/27/53/977292753.db2.gz	HMSHROUMYVOIKB-UHFFFAOYSA-N	1	0	359.449	1.906	20	30		FDEDRO
C#C[C@H](NC(=[NH2+])NCCCN1CCOCC1)c1ccc(Cl)cc1F	ZINC000849051202	977293395	/nfs/dbraw/zinc/29/33/95/977293395.db2.gz	ASWVROHSFGQCKH-INIZCTEOSA-N	1	0	352.841	1.990	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCCNc2ncccc2C#N)cc1OC	ZINC000849058868	977297970	/nfs/dbraw/zinc/29/79/70/977297970.db2.gz	XZGJYRCSURGAMC-UHFFFAOYSA-N	1	0	368.441	1.739	20	30		FDEDRO
C[NH+]=C(NCCc1ccccc1C(F)(F)F)NCCN1CCOCC1	ZINC000849063878	977299976	/nfs/dbraw/zinc/29/99/76/977299976.db2.gz	RDUBZDRGXMUJPA-UHFFFAOYSA-N	1	0	358.408	1.745	20	30		FDEDRO
C=CCNC(=[NH2+])NC[C@@H](CO)Cc1cc(Br)ccc1OC	ZINC000849109831	977320220	/nfs/dbraw/zinc/32/02/20/977320220.db2.gz	JEGWSNCMWJSOAB-NSHDSACASA-N	1	0	356.264	1.909	20	30		FDEDRO
N#Cc1ccc(Cn2cc(NC(=O)N[C@H]3C[NH2+]CCC3(F)F)cn2)cc1	ZINC000868195498	977341267	/nfs/dbraw/zinc/34/12/67/977341267.db2.gz	GCMLMVSSDMLAOR-HNNXBMFYSA-N	1	0	360.368	1.922	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1C#N	ZINC000868255272	977400984	/nfs/dbraw/zinc/40/09/84/977400984.db2.gz	AHUAUMPKRLRHMU-OAHLLOKOSA-N	1	0	370.453	1.744	20	30		FDEDRO
[NH3+][C@H]1C[C@H](CNC(=O)C(=O)Nc2cccc(C#Cc3cccs3)c2)C1	ZINC000868304993	977479622	/nfs/dbraw/zinc/47/96/22/977479622.db2.gz	KRHMOOVHBQOEKH-SHTZXODSSA-N	1	0	353.447	1.940	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000868308047	977485473	/nfs/dbraw/zinc/48/54/73/977485473.db2.gz	RIJUESWWFBPZPI-YOWGUQMCSA-N	1	0	357.458	1.700	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1	ZINC000849547535	977729537	/nfs/dbraw/zinc/72/95/37/977729537.db2.gz	IJRLALQTMPKAKK-RTBURBONSA-N	1	0	366.465	1.784	20	30		FDEDRO
C#C[C@H](NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1)[C@@H]1CCCO1	ZINC000849574795	977777650	/nfs/dbraw/zinc/77/76/50/977777650.db2.gz	ADTPALNMTNSIBM-YRXWBPOGSA-N	1	0	358.486	1.531	20	30		FDEDRO
Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2cc(F)c(C#N)c(F)c2)cn1	ZINC000849586810	977792653	/nfs/dbraw/zinc/79/26/53/977792653.db2.gz	QQRSIIBDXDFIEI-ZBFHGGJFSA-N	1	0	373.407	1.922	20	30		FDEDRO
CC(C)C(=O)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1	ZINC001110615143	978000728	/nfs/dbraw/zinc/00/07/28/978000728.db2.gz	HIZXSPRHKHHSBO-QRVBRYPASA-N	1	0	368.481	1.894	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1	ZINC000850504984	978405503	/nfs/dbraw/zinc/40/55/03/978405503.db2.gz	JMTWVLHZKGIODV-HNNXBMFYSA-N	1	0	357.454	1.874	20	30		FDEDRO
CCN(C(=O)C(=O)Nc1ccc(F)cc1OCC#N)[C@H]1CC[N@H+](CC)C1	ZINC000850607419	978477122	/nfs/dbraw/zinc/47/71/22/978477122.db2.gz	IQPOXJRTSUKFPI-AWEZNQCLSA-N	1	0	362.405	1.609	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000850685858	978608532	/nfs/dbraw/zinc/60/85/32/978608532.db2.gz	IJBPPYBIKCEGAF-MRXNPFEDSA-N	1	0	371.437	1.007	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)C1CCOCC1	ZINC000850689844	978614496	/nfs/dbraw/zinc/61/44/96/978614496.db2.gz	VOBPQMRXKNDUHB-QGZVFWFLSA-N	1	0	357.454	1.274	20	30		FDEDRO
C#CCCN(CCOC)C(=O)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1	ZINC000850709986	978636772	/nfs/dbraw/zinc/63/67/72/978636772.db2.gz	OOZYTBOXNAAVJN-UHFFFAOYSA-N	1	0	351.491	1.064	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1	ZINC001114828367	1014516369	/nfs/dbraw/zinc/51/63/69/1014516369.db2.gz	BLTVWIZCNJAIIW-WKULXVSPSA-N	1	0	363.502	1.415	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(c2ncc(F)cn2)CC1	ZINC001110629957	978874994	/nfs/dbraw/zinc/87/49/94/978874994.db2.gz	CRCWUMAAMRONPP-RHSMWYFYSA-N	1	0	359.449	1.387	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)nc1	ZINC000851655003	978985890	/nfs/dbraw/zinc/98/58/90/978985890.db2.gz	MFMARIONDDQUQG-KRWDZBQOSA-N	1	0	356.474	1.786	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(OC)c(OCC(N)=O)c(OC)c1	ZINC001202483467	979023618	/nfs/dbraw/zinc/02/36/18/979023618.db2.gz	KIUBDGFUWGWNIP-KGLIPLIRSA-N	1	0	350.415	1.391	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+](C)[C@@H]2CCOC[C@@H]2OC)c(OC)c1	ZINC000880422446	979178555	/nfs/dbraw/zinc/17/85/55/979178555.db2.gz	BYHPQONQUGJSKD-HLIPFELVSA-N	1	0	365.470	1.899	20	30		FDEDRO
CO[C@@H]1COCC[C@H]1[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N	ZINC000880431168	979190550	/nfs/dbraw/zinc/19/05/50/979190550.db2.gz	SSTCUGNHWFFYPR-BMGDILEWSA-N	1	0	366.421	1.959	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ccc(C(F)F)n1)C2	ZINC001110639570	979195440	/nfs/dbraw/zinc/19/54/40/979195440.db2.gz	OEEVZKBIPGWIKU-YUELXQCFSA-N	1	0	354.401	1.745	20	30		FDEDRO
C#CCC1(O)CC[NH+](CC(=O)N(C)CCCOc2ccc(F)cc2)CC1	ZINC000880480309	979220929	/nfs/dbraw/zinc/22/09/29/979220929.db2.gz	NRMWGANYIWWVOS-UHFFFAOYSA-N	1	0	362.445	1.903	20	30		FDEDRO
C#CCC1(O)CC[NH+](CCC(=O)Nc2ccccc2C(=O)NC2CC2)CC1	ZINC000880481628	979221955	/nfs/dbraw/zinc/22/19/55/979221955.db2.gz	MJWAFNNQJPPSCU-UHFFFAOYSA-N	1	0	369.465	1.758	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)cc1	ZINC000851974144	979234229	/nfs/dbraw/zinc/23/42/29/979234229.db2.gz	SUNPZSFNYXELBD-MJGOQNOKSA-N	1	0	370.453	1.661	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[NH2+][C@H](Cn1ccnc1)c1ccccc1	ZINC000880571699	979316804	/nfs/dbraw/zinc/31/68/04/979316804.db2.gz	UBFIXTXJFLWDAS-GOSISDBHSA-N	1	0	350.426	1.870	20	30		FDEDRO
C#C[C@](C)(CC)[NH2+]CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC	ZINC000852099685	979350100	/nfs/dbraw/zinc/35/01/00/979350100.db2.gz	CNZQKJHZBXRUDZ-QGZVFWFLSA-N	1	0	366.439	1.960	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)[N@H+](CC)[C@@H](C)C2)c1	ZINC000880609475	979351559	/nfs/dbraw/zinc/35/15/59/979351559.db2.gz	WWFZRLXKTPIOJH-GASCZTMLSA-N	1	0	363.483	1.153	20	30		FDEDRO
[NH2+]=C(NCCn1cc([N+](=O)[O-])cn1)NCc1ccc(OC(F)(F)F)cc1	ZINC000128573616	979404181	/nfs/dbraw/zinc/40/41/81/979404181.db2.gz	QHIJBGNDJJFYCN-UHFFFAOYSA-N	1	0	372.307	1.794	20	30		FDEDRO
N#Cc1cc(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(F)cc1F	ZINC000880715144	979405498	/nfs/dbraw/zinc/40/54/98/979405498.db2.gz	LDQAJHUBRSMOFV-HOTGVXAUSA-N	1	0	350.369	1.899	20	30		FDEDRO
COc1ccc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cc1C#N	ZINC000880872698	979504144	/nfs/dbraw/zinc/50/41/44/979504144.db2.gz	AJWPFSKOPRVNAR-KRWDZBQOSA-N	1	0	359.474	1.960	20	30		FDEDRO
CN(C)C(=O)CN(CC[NH+](C)C)c1nccc(Oc2cccc(C#N)c2)n1	ZINC000882617763	980758591	/nfs/dbraw/zinc/75/85/91/980758591.db2.gz	PHJUJRWAWVKREE-UHFFFAOYSA-N	1	0	368.441	1.597	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNS(=O)(=O)c3ccc(C#N)cc3)cc2)CC1	ZINC000882663139	980803185	/nfs/dbraw/zinc/80/31/85/980803185.db2.gz	QUXIOESUESNRDN-UHFFFAOYSA-N	1	0	370.478	1.789	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1	ZINC000858144785	981860595	/nfs/dbraw/zinc/86/05/95/981860595.db2.gz	UFIVBMHBYQBLDH-GOSISDBHSA-N	1	0	373.501	1.451	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)CC1	ZINC000883046234	981910219	/nfs/dbraw/zinc/91/02/19/981910219.db2.gz	CKHTXYLYAGUEQY-DLBZAZTESA-N	1	0	368.399	1.982	20	30		FDEDRO
C=CCC[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)[C@H]1Cc2ccccc2O1	ZINC000883192264	982006701	/nfs/dbraw/zinc/00/67/01/982006701.db2.gz	UTOQBLXXTRNQRJ-FUHWJXTLSA-N	1	0	365.495	1.854	20	30		FDEDRO
C=C(C)C[C@H](CO)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000883251446	982032857	/nfs/dbraw/zinc/03/28/57/982032857.db2.gz	OXKQXVANPPHRBG-QGZVFWFLSA-N	1	0	361.490	1.220	20	30		FDEDRO
COc1ccc(C[NH2+][C@H]2CCCN(CCN3CCOCC3)C2)cc1C#N	ZINC000883372019	982101510	/nfs/dbraw/zinc/10/15/10/982101510.db2.gz	ITUSNKKYTANMOT-IBGZPJMESA-N	1	0	358.486	1.453	20	30		FDEDRO
COC(=O)C1(C#N)CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CC1	ZINC000858722378	982244702	/nfs/dbraw/zinc/24/47/02/982244702.db2.gz	MAAOWKROOIKTHG-MRXNPFEDSA-N	1	0	362.474	1.882	20	30		FDEDRO
CC[N@@H+]1CC[C@H]1CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000883600863	982298078	/nfs/dbraw/zinc/29/80/78/982298078.db2.gz	LCEWWZFLJAIXLD-IRXDYDNUSA-N	1	0	355.442	1.447	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1C1CC1	ZINC000883606746	982303225	/nfs/dbraw/zinc/30/32/25/982303225.db2.gz	AMTQQNIQLWRQOH-MORSLUCNSA-N	1	0	352.438	1.960	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)Nc2ccccc2)CC1	ZINC001202559876	982560156	/nfs/dbraw/zinc/56/01/56/982560156.db2.gz	RPICLLPXYDCKST-MSOLQXFVSA-N	1	0	357.454	1.797	20	30		FDEDRO
C=CCNC(=O)N1CC[C@@H]2CN(Cc3csc(C)n3)CCO[C@@H]2C1	ZINC001202566833	982584918	/nfs/dbraw/zinc/58/49/18/982584918.db2.gz	BJOOPBSRLOHMAB-GDBMZVCRSA-N	1	0	350.488	1.870	20	30		FDEDRO
C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)C[C@H](O)CC1(C#N)CCOCC1	ZINC000859191686	982609900	/nfs/dbraw/zinc/60/99/00/982609900.db2.gz	RRIGYEGHRPRAER-LSDHHAIUSA-N	1	0	355.479	1.903	20	30		FDEDRO
C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1ccc2c(c1)CC(=O)N2C	ZINC000859231489	982633781	/nfs/dbraw/zinc/63/37/81/982633781.db2.gz	HDGIWDPRXPUBOP-WMLDXEAASA-N	1	0	357.454	1.927	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)NCCCCCC)C1	ZINC000133420371	982694821	/nfs/dbraw/zinc/69/48/21/982694821.db2.gz	MTQOVDOTEVMMBA-HOTGVXAUSA-N	1	0	366.506	1.795	20	30		FDEDRO
CNC(=O)OC[C@@H]1CCCCN1CC#CCN1C(=O)c2ccccc2C1=O	ZINC000859305845	982698565	/nfs/dbraw/zinc/69/85/65/982698565.db2.gz	QIXPKKACJFLSGP-HNNXBMFYSA-N	1	0	369.421	1.497	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N(CCc1ccccc1)CC[NH+](C)C	ZINC000800009279	982707317	/nfs/dbraw/zinc/70/73/17/982707317.db2.gz	LJDZKWOEFDYPQB-UHFFFAOYSA-N	1	0	352.504	1.573	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3cccnc31)C2	ZINC001110772644	982738122	/nfs/dbraw/zinc/73/81/22/982738122.db2.gz	FQDDRIGCAVVUER-NXHRZFHOSA-N	1	0	362.433	1.319	20	30		FDEDRO
CCCCCCCNC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000859360669	982746194	/nfs/dbraw/zinc/74/61/94/982746194.db2.gz	LTFCXSPGKQECCK-MSOLQXFVSA-N	1	0	366.550	1.557	20	30		FDEDRO
CCCCCCCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000859397425	982770689	/nfs/dbraw/zinc/77/06/89/982770689.db2.gz	GVNGADWCVULOTJ-KRWDZBQOSA-N	1	0	353.507	1.644	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2	ZINC000884056364	982780043	/nfs/dbraw/zinc/78/00/43/982780043.db2.gz	VUTVHGJZFIHUGM-LSDHHAIUSA-N	1	0	360.410	1.568	20	30		FDEDRO
COc1ccc2[nH]cc(CCNC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)c2c1	ZINC000884071078	982819495	/nfs/dbraw/zinc/81/94/95/982819495.db2.gz	HTNPEYAIXNPNFB-RDYUPDBUSA-N	1	0	352.438	1.975	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@H+]2CC3(CCOCC3)CC[C@H]2CO)CCOCC1	ZINC000859522073	982891741	/nfs/dbraw/zinc/89/17/41/982891741.db2.gz	MPNIOHSBUKEXAW-IRXDYDNUSA-N	1	0	352.475	1.311	20	30		FDEDRO
COC(=O)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)Cc1cccc(F)c1	ZINC000884128784	982910940	/nfs/dbraw/zinc/91/09/40/982910940.db2.gz	NYLGCLJQFSIEOM-DQLYFJKKSA-N	1	0	373.428	1.413	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCCN(C(=O)C1CCC1)C1CC1)C2	ZINC000884132297	982915405	/nfs/dbraw/zinc/91/54/05/982915405.db2.gz	MAJCYVZPHPYAFE-LFDOHDQPSA-N	1	0	358.486	1.423	20	30		FDEDRO
N#CCCNC(=O)C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1	ZINC000859572738	982924232	/nfs/dbraw/zinc/92/42/32/982924232.db2.gz	SSXMSLVJHUVBDD-MRXNPFEDSA-N	1	0	366.259	1.288	20	30		FDEDRO
Cc1ccc([C@H](O)CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)cc1	ZINC000133891135	982949551	/nfs/dbraw/zinc/94/95/51/982949551.db2.gz	HKLBUIHAHMNFQE-IAGOWNOFSA-N	1	0	374.485	1.909	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@H]1CN(Cc3ccccc3)CCO1)C2	ZINC000884177936	982949985	/nfs/dbraw/zinc/94/99/85/982949985.db2.gz	XNSCUUPZERFNSM-JMDAGXMHSA-N	1	0	368.481	1.143	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@H](c1ccccc1)N1CCOCC1)C2	ZINC000884191094	982967288	/nfs/dbraw/zinc/96/72/88/982967288.db2.gz	VTRSWJQOOUTJOP-KYBDOYODSA-N	1	0	368.481	1.315	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000884199014	982974895	/nfs/dbraw/zinc/97/48/95/982974895.db2.gz	MWBZNYRNZCNEJW-MSOLQXFVSA-N	1	0	359.470	1.604	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1	ZINC000884210657	982987161	/nfs/dbraw/zinc/98/71/61/982987161.db2.gz	GSMFZZOJZDJTKB-IRXDYDNUSA-N	1	0	351.491	1.548	20	30		FDEDRO
Cc1ccc(CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c(N2CCOCC2)c1	ZINC000884230705	983004746	/nfs/dbraw/zinc/00/47/46/983004746.db2.gz	YBWXXQWBFVRWNN-WBTXTPOCSA-N	1	0	368.481	1.587	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1nccn1CCc1ccccc1)C2	ZINC000884230876	983005269	/nfs/dbraw/zinc/00/52/69/983005269.db2.gz	CGGIDKGXBNBKRF-IDYZSHNDSA-N	1	0	363.465	1.881	20	30		FDEDRO
COc1ccc(N2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CC2)cc1F	ZINC000884233645	983007135	/nfs/dbraw/zinc/00/71/35/983007135.db2.gz	UGGSQRKOXNHSNT-CHWWFWEZSA-N	1	0	372.444	1.622	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCCCN3C[C@H]2C)CC1	ZINC000332497684	983064308	/nfs/dbraw/zinc/06/43/08/983064308.db2.gz	ZISOMLMZXFTZKF-AEFFLSMTSA-N	1	0	362.518	1.228	20	30		FDEDRO
CC[C@@H]1C[C@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CC(=O)N1	ZINC000332537215	983071707	/nfs/dbraw/zinc/07/17/07/983071707.db2.gz	VBQBAHHFRUMMGH-ZWKOTPCHSA-N	1	0	368.481	1.966	20	30		FDEDRO
Cc1nc(N2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CC2)sc1C	ZINC000884315373	983077306	/nfs/dbraw/zinc/07/73/06/983077306.db2.gz	NGMYWTZTJWSYFV-CSLYMUCUSA-N	1	0	359.499	1.548	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1	ZINC000884319664	983080668	/nfs/dbraw/zinc/08/06/68/983080668.db2.gz	AFUXSXHBOLZQJI-ZOBUZTSGSA-N	1	0	367.396	1.273	20	30		FDEDRO
CS(=O)(=O)C[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccccc1	ZINC000884326745	983087829	/nfs/dbraw/zinc/08/78/29/983087829.db2.gz	AFEUWFLMCWBXLJ-NDUQDZPOSA-N	1	0	361.467	1.028	20	30		FDEDRO
COC(=O)CC[C@H](Cc1ccccc1)NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884330285	983089876	/nfs/dbraw/zinc/08/98/76/983089876.db2.gz	JKYJTYIXYJGPCG-BKVYSMKUSA-N	1	0	369.465	1.806	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccncc1OCC(F)(F)F)C2	ZINC000884332175	983091390	/nfs/dbraw/zinc/09/13/90/983091390.db2.gz	GZICKNGJPWGIGJ-MFOWVQHXSA-N	1	0	368.359	1.778	20	30		FDEDRO
CC1(C#N)CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC1	ZINC000332713719	983105145	/nfs/dbraw/zinc/10/51/45/983105145.db2.gz	YQGWLLHVQJGBBV-GOEBONIOSA-N	1	0	358.417	1.231	20	30		FDEDRO
N#Cc1cccc(C2(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CCOCC2)c1	ZINC000884409549	983142602	/nfs/dbraw/zinc/14/26/02/983142602.db2.gz	MKHPFORCVCRCPP-KGXSXCIVSA-N	1	0	364.449	1.820	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(N3CCCNC3=O)cc1)C2	ZINC000884418894	983146566	/nfs/dbraw/zinc/14/65/66/983146566.db2.gz	ZIOCWFHGYHRYEQ-LFDOHDQPSA-N	1	0	367.453	1.362	20	30		FDEDRO
C=CCC1(O)CCN(CN2C(=O)N[C@@]3(CCc4ccccc4C3)C2=O)CC1	ZINC000884478268	983180903	/nfs/dbraw/zinc/18/09/03/983180903.db2.gz	WCQLMELLHQIUJO-OAQYLSRUSA-N	1	0	369.465	1.826	20	30		FDEDRO
C#CCNC(=O)CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)OC(C)(C)C)C1	ZINC000860041064	983189476	/nfs/dbraw/zinc/18/94/76/983189476.db2.gz	SNIMPKFNSXYVIL-QAETUUGQSA-N	1	0	361.486	1.703	20	30		FDEDRO
CCCc1c(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])cnn1-c1cccc(C#N)c1	ZINC000861541470	983770682	/nfs/dbraw/zinc/77/06/82/983770682.db2.gz	CKJJVTIYEYMRKL-CYBMUJFWSA-N	1	0	368.441	1.441	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)c(F)cc1C#N	ZINC000861711532	983851463	/nfs/dbraw/zinc/85/14/63/983851463.db2.gz	UDATVFFWFBTTLN-LBPRGKRZSA-N	1	0	362.405	1.635	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)[C@@H](C)CC(=O)N2C	ZINC000861872294	983967245	/nfs/dbraw/zinc/96/72/45/983967245.db2.gz	NBZPIRDTRRKQNC-AWEZNQCLSA-N	1	0	370.453	1.166	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1	ZINC000862189959	984221923	/nfs/dbraw/zinc/22/19/23/984221923.db2.gz	GXWNJTBGHMWKCI-SFHVURJKSA-N	1	0	371.481	1.808	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C	ZINC000862199438	984239285	/nfs/dbraw/zinc/23/92/85/984239285.db2.gz	JWOJDJLYFJQWJZ-HNNXBMFYSA-N	1	0	361.442	1.028	20	30		FDEDRO
N#C[C@@]1(C(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)CCCOC1	ZINC000868879950	984663374	/nfs/dbraw/zinc/66/33/74/984663374.db2.gz	QZGUYFLAUNIYNU-IBGZPJMESA-N	1	0	357.454	1.450	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NCCC2CC[NH+](C(C)C)CC2)CC1	ZINC000868944441	984710987	/nfs/dbraw/zinc/71/09/87/984710987.db2.gz	WEERTJUALAVWCL-UHFFFAOYSA-N	1	0	362.518	1.668	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CCCCC1	ZINC000884785722	984792859	/nfs/dbraw/zinc/79/28/59/984792859.db2.gz	DAOGGHILOBXELZ-NEPJUHHUSA-N	1	0	360.380	1.172	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)CC1	ZINC000869101973	984851868	/nfs/dbraw/zinc/85/18/68/984851868.db2.gz	SLBDYGQOUUMAIG-IBGZPJMESA-N	1	0	374.529	1.955	20	30		FDEDRO
C[NH+](C)CCOC1CCN(S(=O)(=O)c2ccc(CCC#N)cc2)CC1	ZINC000885031297	985120711	/nfs/dbraw/zinc/12/07/11/985120711.db2.gz	JSLOLJZEJOIYAN-UHFFFAOYSA-N	1	0	365.499	1.874	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2ccc(CCC#N)cc2)C[C@@H]1[NH+](C)C	ZINC000885078454	985160452	/nfs/dbraw/zinc/16/04/52/985160452.db2.gz	IGJIDPFWIZEMCV-HOTGVXAUSA-N	1	0	353.513	1.809	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)C(C)C	ZINC000890261304	985895649	/nfs/dbraw/zinc/89/56/49/985895649.db2.gz	SNQWJGNARCDZJX-RBUKOAKNSA-N	1	0	368.481	1.684	20	30		FDEDRO
C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1)n1cncn1	ZINC001095333729	985897578	/nfs/dbraw/zinc/89/75/78/985897578.db2.gz	IIFIPMUMHMBJTN-NBMRYCAZSA-N	1	0	350.426	1.632	20	30		FDEDRO
N#CCCn1cc(C[NH2+][C@H](CO)C[C@@H]2CCCO2)c(-c2ccncc2)n1	ZINC000886223722	985980787	/nfs/dbraw/zinc/98/07/87/985980787.db2.gz	PLEZRTGLHKGBKY-ROUUACIJSA-N	1	0	355.442	1.878	20	30		FDEDRO
CN(C[C@@H](O)C[N@H+](C)C[C@@H](O)CC1(C#N)CCC1)C(=O)OC(C)(C)C	ZINC000886304197	986051396	/nfs/dbraw/zinc/05/13/96/986051396.db2.gz	QFCUCBMUJOSNIR-GJZGRUSLSA-N	1	0	355.479	1.591	20	30		FDEDRO
CO[C@@H]1C[C@H]2C[N@H+](C[C@H](O)CC3(C#N)CCC3)Cc3cccnc3N2C1	ZINC000886307082	986053125	/nfs/dbraw/zinc/05/31/25/986053125.db2.gz	JCWGPNGBAHCETP-RCCFBDPRSA-N	1	0	356.470	1.936	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H]2CCNC(=O)CC2)c[nH]1	ZINC001095337407	986094897	/nfs/dbraw/zinc/09/48/97/986094897.db2.gz	USLRHJMBCAHTJJ-VZEFYGNVSA-N	1	0	355.442	1.138	20	30		FDEDRO
CC[C@H](C[NH+](C)C)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000870551326	986116278	/nfs/dbraw/zinc/11/62/78/986116278.db2.gz	XMMSIHXWVFWIRN-GXTWGEPZSA-N	1	0	353.444	1.108	20	30		FDEDRO
C#CCC1([NH2+]Cc2cc(OC)c(OCC(N)=O)c(OC)c2)CCOCC1	ZINC000886381807	986125875	/nfs/dbraw/zinc/12/58/75/986125875.db2.gz	SQSPALLSMIKVPC-UHFFFAOYSA-N	1	0	362.426	1.230	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H]2CCc3ncnn32)c[nH]1	ZINC001095337480	986145954	/nfs/dbraw/zinc/14/59/54/986145954.db2.gz	YBAXYJVYPXIBKV-UGUYLWEFSA-N	1	0	351.414	1.000	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H]2CCc3ncnn32)c[nH]1	ZINC001095337481	986146292	/nfs/dbraw/zinc/14/62/92/986146292.db2.gz	YBAXYJVYPXIBKV-WCVJEAGWSA-N	1	0	351.414	1.000	20	30		FDEDRO
C#CC[N@@H+](CCN1C(=O)CCC1=O)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886426034	986202797	/nfs/dbraw/zinc/20/27/97/986202797.db2.gz	FCQUQIRMECBENQ-UHFFFAOYSA-N	1	0	363.458	1.470	20	30		FDEDRO
C#CCN(C[C@H](O)C[NH+]1CCCC1)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886427364	986204120	/nfs/dbraw/zinc/20/41/20/986204120.db2.gz	IEXPREVYCPKKBA-GOSISDBHSA-N	1	0	365.518	1.778	20	30		FDEDRO
C#CCN(C(=O)c1ccc2c(c1)NC(=O)CCN2C)C1CC[NH+](C)CC1	ZINC000886581284	986384000	/nfs/dbraw/zinc/38/40/00/986384000.db2.gz	QZMLTHSIZFRYMY-UHFFFAOYSA-N	1	0	354.454	1.635	20	30		FDEDRO
C#CCN(C(=O)Cn1cc(C(=O)OC)c2ccccc21)C1CC[NH+](C)CC1	ZINC000886587025	986390801	/nfs/dbraw/zinc/39/08/01/986390801.db2.gz	CUPBHYXOGFTHFE-UHFFFAOYSA-N	1	0	367.449	1.984	20	30		FDEDRO
C#CCN(C(=O)CCN1C(=O)c2ccccc2C1=O)C1CC[NH+](C)CC1	ZINC000886589106	986394872	/nfs/dbraw/zinc/39/48/72/986394872.db2.gz	JWXFTGNZJPHFRT-UHFFFAOYSA-N	1	0	353.422	1.229	20	30		FDEDRO
C=CCn1c(-c2cn[nH]c2)nnc1N(CCOC)CC1CC[NH+](C)CC1	ZINC000871050900	986617561	/nfs/dbraw/zinc/61/75/61/986617561.db2.gz	MQYOEWAYRMYULZ-UHFFFAOYSA-N	1	0	359.478	1.649	20	30		FDEDRO
C=CCn1c(-c2ccccn2)nnc1N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000871062468	986633694	/nfs/dbraw/zinc/63/36/94/986633694.db2.gz	XYZWUOGQJKVVEI-UHFFFAOYSA-N	1	0	367.501	1.742	20	30		FDEDRO
N#CCCc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1	ZINC000886889345	986693004	/nfs/dbraw/zinc/69/30/04/986693004.db2.gz	QOHJPYRLRWVOEH-TZMCWYRMSA-N	1	0	361.389	1.900	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](O)C1	ZINC000968546103	1015265004	/nfs/dbraw/zinc/26/50/04/1015265004.db2.gz	YTTDPDBEWOMHFE-UWVAXJGDSA-N	1	0	370.453	1.547	20	30		FDEDRO
Cn1c(N2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)c(C#N)c(=O)n(C)c1=O	ZINC000871666285	987185873	/nfs/dbraw/zinc/18/58/73/987185873.db2.gz	BHWPRDMPTJUIFW-CJNGLKHVSA-N	1	0	359.474	1.080	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c(C#N)c1	ZINC000871806266	987251152	/nfs/dbraw/zinc/25/11/52/987251152.db2.gz	ZXSJQHROWBAARO-FUHWJXTLSA-N	1	0	363.483	1.774	20	30		FDEDRO
N#Cc1cccnc1NCC[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1	ZINC000872200122	987510987	/nfs/dbraw/zinc/51/09/87/987510987.db2.gz	VBZXSWSOCUBSKN-FQEVSTJZSA-N	1	0	351.454	1.592	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2	ZINC000872247631	987540550	/nfs/dbraw/zinc/54/05/50/987540550.db2.gz	NISQZEZCLAXUEA-QAETUUGQSA-N	1	0	366.506	1.570	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@]23CCC[C@H]2OCC3)CC1	ZINC000872315203	987596007	/nfs/dbraw/zinc/59/60/07/987596007.db2.gz	PGECADOQKAXYFG-SUMDDJOVSA-N	1	0	374.510	1.758	20	30		FDEDRO
C#CC[C@@H]1CCCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1	ZINC000825601699	987646561	/nfs/dbraw/zinc/64/65/61/987646561.db2.gz	BBUNZEKNCXQGMF-QGZVFWFLSA-N	1	0	355.486	1.778	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1	ZINC000298887331	987931782	/nfs/dbraw/zinc/93/17/82/987931782.db2.gz	SQSZKISFJLVBPP-VXGBXAGGSA-N	1	0	365.430	1.763	20	30		FDEDRO
CCC(CC)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)[NH+]1CCCC1	ZINC000292955413	987943618	/nfs/dbraw/zinc/94/36/18/987943618.db2.gz	FKNXBOVLZBHCBR-INIZCTEOSA-N	1	0	357.458	1.909	20	30		FDEDRO
C=CCN(CCC#N)C(=O)C(=O)Nc1ccnn1C1CC[NH+](CC)CC1	ZINC000293330739	988038056	/nfs/dbraw/zinc/03/80/56/988038056.db2.gz	YUHGMDXFOOMCGB-UHFFFAOYSA-N	1	0	358.446	1.407	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)CC2)nc1	ZINC000360522118	988065321	/nfs/dbraw/zinc/06/53/21/988065321.db2.gz	FTALQKVMQRLEIG-GOSISDBHSA-N	1	0	366.469	1.578	20	30		FDEDRO
C[N@H+](CC(=O)NCc1ccc(C#N)cc1)C1CCN(c2ncccn2)CC1	ZINC000365838703	988132368	/nfs/dbraw/zinc/13/23/68/988132368.db2.gz	UEUSODKDPKNCFT-UHFFFAOYSA-N	1	0	364.453	1.565	20	30		FDEDRO
CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)Nc1ccc(C#N)cn1	ZINC000293719257	988174722	/nfs/dbraw/zinc/17/47/22/988174722.db2.gz	NKQKZQGCNFWWIX-UHFFFAOYSA-N	1	0	355.398	1.465	20	30		FDEDRO
COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2cccc(C#N)c2)C1	ZINC000299163799	988185721	/nfs/dbraw/zinc/18/57/21/988185721.db2.gz	MVPISNMVOJIXJO-GOEBONIOSA-N	1	0	358.442	1.360	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)CC1	ZINC000365881913	988185895	/nfs/dbraw/zinc/18/58/95/988185895.db2.gz	DSGGCEIGYUFUGQ-QRWLVFNGSA-N	1	0	352.438	1.590	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)CC1	ZINC000872881268	988229040	/nfs/dbraw/zinc/22/90/40/988229040.db2.gz	NONWTSGFFDXDNA-CABCVRRESA-N	1	0	355.504	1.103	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)CSc1nncn1-c1ccccc1CC	ZINC000294075432	988298929	/nfs/dbraw/zinc/29/89/29/988298929.db2.gz	WEIGORJYUGOUCF-UHFFFAOYSA-N	1	0	371.510	1.993	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)ccc1F	ZINC000361390212	988360595	/nfs/dbraw/zinc/36/05/95/988360595.db2.gz	FGUSBLPFFBEORX-YSVLISHTSA-N	1	0	356.401	1.579	20	30		FDEDRO
CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC000873019533	988424216	/nfs/dbraw/zinc/42/42/16/988424216.db2.gz	OQNUHKUFWNKZKO-INIZCTEOSA-N	1	0	358.490	1.905	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000366190569	988524094	/nfs/dbraw/zinc/52/40/94/988524094.db2.gz	HNQUAHYTEPLDDR-MRXNPFEDSA-N	1	0	359.426	1.315	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1	ZINC000873107429	988568822	/nfs/dbraw/zinc/56/88/22/988568822.db2.gz	NUQHNDWZYKXNND-AAEUAGOBSA-N	1	0	354.332	1.287	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c(Cl)c1	ZINC000873108082	988572037	/nfs/dbraw/zinc/57/20/37/988572037.db2.gz	TZUJLZVGSMLYHC-NXEZZACHSA-N	1	0	374.750	1.746	20	30		FDEDRO
N#Cc1ncn(C2CCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)n1	ZINC000366253523	988574486	/nfs/dbraw/zinc/57/44/86/988574486.db2.gz	OUJFQPWTMFEVMY-HNNXBMFYSA-N	1	0	356.474	1.968	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2n[nH]c(-c3ccc(OC)cc3OC)n2)CC1	ZINC000299624245	988635323	/nfs/dbraw/zinc/63/53/23/988635323.db2.gz	KCKZOVXAQZJKOI-UHFFFAOYSA-N	1	0	369.425	1.773	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1	ZINC000299632348	988641697	/nfs/dbraw/zinc/64/16/97/988641697.db2.gz	NWNMWDJKJCGQPH-ZDUSSCGKSA-N	1	0	368.478	1.623	20	30		FDEDRO
N#CCCN(C(=O)CN1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO)c1ccccc1	ZINC000362813870	988737078	/nfs/dbraw/zinc/73/70/78/988737078.db2.gz	JIKRTACBRKLHSF-UXHICEINSA-N	1	0	370.497	1.854	20	30		FDEDRO
N#Cc1cccc(CNC(=O)CN2CCC[C@H](C[NH+]3CCOCC3)C2)c1	ZINC000363065170	988892238	/nfs/dbraw/zinc/89/22/38/988892238.db2.gz	UFKGKRLFHYIWRH-LJQANCHMSA-N	1	0	356.470	1.219	20	30		FDEDRO
C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2cc(S(N)(=O)=O)ccc2C#N)C1	ZINC000367463993	988951985	/nfs/dbraw/zinc/95/19/85/988951985.db2.gz	HWOHGSICKMHLEY-QGZVFWFLSA-N	1	0	370.478	1.916	20	30		FDEDRO
CCCC[C@H](ON=C(C)C)C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1	ZINC000368200554	988983202	/nfs/dbraw/zinc/98/32/02/988983202.db2.gz	PRIXQIGTWSAJQN-KRWDZBQOSA-N	1	0	369.506	1.643	20	30		FDEDRO
CCCC[C@@H](ON=C(C)C)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000368293155	988986998	/nfs/dbraw/zinc/98/69/98/988986998.db2.gz	GQJGIXQSYPRESK-QZTJIDSGSA-N	1	0	368.522	1.480	20	30		FDEDRO
CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CC(=O)N(CCC#N)CCC#N	ZINC000368668548	989004082	/nfs/dbraw/zinc/00/40/82/989004082.db2.gz	LWXLZNSSOAMHJH-IRXDYDNUSA-N	1	0	359.474	1.508	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000363297001	989069727	/nfs/dbraw/zinc/06/97/27/989069727.db2.gz	IFHMUNGYHKCUNX-HXUWFJFHSA-N	1	0	372.513	1.971	20	30		FDEDRO
Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1	ZINC000873726787	989071916	/nfs/dbraw/zinc/07/19/16/989071916.db2.gz	FKRCCSNVUMHLBQ-CQSZACIVSA-N	1	0	358.417	1.889	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCc1ccc(C)cc1O[C@@H]1CCOC1	ZINC000296318738	989119773	/nfs/dbraw/zinc/11/97/73/989119773.db2.gz	GAAMAVTTWLOASA-GOSISDBHSA-N	1	0	359.470	1.917	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2)CC1	ZINC000369757396	989148782	/nfs/dbraw/zinc/14/87/82/989148782.db2.gz	LVOHQZXJEJNXRV-LJQANCHMSA-N	1	0	353.466	1.895	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000363454440	989213630	/nfs/dbraw/zinc/21/36/30/989213630.db2.gz	NWNDFXBXXKGAFF-RHSMWYFYSA-N	1	0	370.453	1.266	20	30		FDEDRO
CC1CCC([NH+]2CCC(Nc3c(C#N)c(=O)n(C)c(=O)n3C)CC2)CC1	ZINC000363468102	989223453	/nfs/dbraw/zinc/22/34/53/989223453.db2.gz	OROUXEUOUOEUKQ-UHFFFAOYSA-N	1	0	359.474	1.411	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC(C(=O)Nc3cnccn3)CC2)CC1	ZINC000363496677	989245939	/nfs/dbraw/zinc/24/59/39/989245939.db2.gz	RQAYLASBNAIAOQ-UHFFFAOYSA-N	1	0	372.473	1.487	20	30		FDEDRO
CC#CCCNC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(F)c1	ZINC000873828152	989267038	/nfs/dbraw/zinc/26/70/38/989267038.db2.gz	HXFSGJWUGZSSNJ-UHFFFAOYSA-N	1	0	360.433	1.436	20	30		FDEDRO
CON=C(C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1csc(N)n1	ZINC000873857342	989335125	/nfs/dbraw/zinc/33/51/25/989335125.db2.gz	QVOSLUCXDPUEFO-ZDUSSCGKSA-N	1	0	359.455	1.467	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1	ZINC000296960874	989453726	/nfs/dbraw/zinc/45/37/26/989453726.db2.gz	QVMGPAHGUIKHGA-UHFFFAOYSA-N	1	0	374.460	1.638	20	30		FDEDRO
C#CC[C@H]1CCCN(C(=O)C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1	ZINC000873927531	989466153	/nfs/dbraw/zinc/46/61/53/989466153.db2.gz	FMDUGAHUKGEZCK-HNNXBMFYSA-N	1	0	357.458	1.350	20	30		FDEDRO
Cc1cc(F)c(C#N)cc1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000873946315	989506478	/nfs/dbraw/zinc/50/64/78/989506478.db2.gz	NZLRGQFOBFZZFN-OAHLLOKOSA-N	1	0	374.416	1.314	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NC(C)(C)c1cn(-c2ccccc2)nn1	ZINC000297320119	989514098	/nfs/dbraw/zinc/51/40/98/989514098.db2.gz	ITAAMSGGYCXWHE-UHFFFAOYSA-N	1	0	354.458	1.757	20	30		FDEDRO
CON=C(C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1csc(N)n1	ZINC000873975861	989563740	/nfs/dbraw/zinc/56/37/40/989563740.db2.gz	ICMAVUXGVKFLHI-NSHDSACASA-N	1	0	353.473	1.556	20	30		FDEDRO
C[NH+]1CCC2(CCN(C(=O)C(=O)Nc3ccc(C#N)c(F)c3)CC2)CC1	ZINC000874014977	989642831	/nfs/dbraw/zinc/64/28/31/989642831.db2.gz	QMVXTMUUNYXICZ-UHFFFAOYSA-N	1	0	358.417	1.970	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCCC(=O)N2CCOc3ccccc3C2)CC1	ZINC000364578335	989660905	/nfs/dbraw/zinc/66/09/05/989660905.db2.gz	KCBWDOPEBZPULT-UHFFFAOYSA-N	1	0	369.465	1.259	20	30		FDEDRO
CN1C(=O)CS/C1=C/C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000874076561	989713517	/nfs/dbraw/zinc/71/35/17/989713517.db2.gz	QGRVNKPYTQRISA-VCHYOVAHSA-N	1	0	358.467	1.495	20	30		FDEDRO
C[N@H+](CC(=O)N(CCC#N)CCC#N)C1CCN(c2cccnn2)CC1	ZINC000370439532	989748515	/nfs/dbraw/zinc/74/85/15/989748515.db2.gz	FLYISJZWKAGZAK-UHFFFAOYSA-N	1	0	355.446	1.033	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3cccc(OC)c3)C2)CC1	ZINC000364737729	989751627	/nfs/dbraw/zinc/75/16/27/989751627.db2.gz	QWIZPOYQWANZCD-HNNXBMFYSA-N	1	0	357.454	1.815	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CC[N@@H+](CC)C2)s1	ZINC000874122925	989772469	/nfs/dbraw/zinc/77/24/69/989772469.db2.gz	FERJQOURGKENJA-CYBMUJFWSA-N	1	0	371.528	1.213	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[N@H+]2CCCN(c3ncccc3C(N)=O)CC2)cc1	ZINC000370565932	989845315	/nfs/dbraw/zinc/84/53/15/989845315.db2.gz	PJXCTJVBMJYCJU-GOSISDBHSA-N	1	0	365.437	1.298	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)CC[C@H]21	ZINC000874173282	989875860	/nfs/dbraw/zinc/87/58/60/989875860.db2.gz	NEZDKQXJXBOKCC-TZMCWYRMSA-N	1	0	358.446	1.001	20	30		FDEDRO
N#Cc1ccc(CN2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)cc1	ZINC000370611869	989897416	/nfs/dbraw/zinc/89/74/16/989897416.db2.gz	FONPDNCRNDDCDX-HXUWFJFHSA-N	1	0	352.482	1.934	20	30		FDEDRO
Cc1ccn(C2CC[NH+](CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CC2)n1	ZINC000365013308	989956341	/nfs/dbraw/zinc/95/63/41/989956341.db2.gz	ZUEOFNNLAMEYDD-LJQANCHMSA-N	1	0	372.517	1.521	20	30		FDEDRO
C#CCC1(C(=O)N2CCN(C[C@H]3CN(C)CCO3)C[C@H]2C)CCCCC1	ZINC000365033211	989973351	/nfs/dbraw/zinc/97/33/51/989973351.db2.gz	NOSSLBQQUXUZHR-RTBURBONSA-N	1	0	361.530	1.824	20	30		FDEDRO
CC[NH+]1CCN(CCNC(=O)/C=C/c2ccc(OCC#N)c(OC)c2)CC1	ZINC000298473286	990124401	/nfs/dbraw/zinc/12/44/01/990124401.db2.gz	QRZYEFFRURADLA-FNORWQNLSA-N	1	0	372.469	1.364	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccccc2C#N)C1	ZINC001095430040	990264051	/nfs/dbraw/zinc/26/40/51/990264051.db2.gz	BDJBWAYPNIVVIJ-SFKBXODTSA-N	1	0	366.465	1.694	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccncc2NC(=O)C(F)(F)F)CC1	ZINC000874436506	990278009	/nfs/dbraw/zinc/27/80/09/990278009.db2.gz	IZANTVSXYQTYMO-UHFFFAOYSA-N	1	0	356.348	1.963	20	30		FDEDRO
N#CCOc1cccc(CC(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)c1	ZINC000371218387	990310636	/nfs/dbraw/zinc/31/06/36/990310636.db2.gz	GGQDLDXDNQSZMC-IEBWSBKVSA-N	1	0	357.454	1.749	20	30		FDEDRO
C[N@@H+]1C[C@H](NC(=O)CNC(=O)c2ccc(C#N)cc2)[C@H](c2ccccc2)C1	ZINC000371268955	990327609	/nfs/dbraw/zinc/32/76/09/990327609.db2.gz	PCMYJWSKYLPCMW-OALUTQOASA-N	1	0	362.433	1.502	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3)C2)CC1	ZINC000371417453	990415834	/nfs/dbraw/zinc/41/58/34/990415834.db2.gz	KSVRBZMAMZIQCH-GOSISDBHSA-N	1	0	369.469	1.124	20	30		FDEDRO
CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@]1(C#N)CCc2ccccc2C1	ZINC000371507260	990488971	/nfs/dbraw/zinc/48/89/71/990488971.db2.gz	YXKAKULPRHVMND-NRFANRHFSA-N	1	0	354.498	1.781	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc3nonc3c2)C1	ZINC000968719480	1015568505	/nfs/dbraw/zinc/56/85/05/1015568505.db2.gz	VXPNYFDYHVOGRC-RKVPGOIHSA-N	1	0	356.426	1.895	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@](C)(CO)Cc2ccc(OC)c(OC)c2)CC1	ZINC000874741017	990508259	/nfs/dbraw/zinc/50/82/59/990508259.db2.gz	CMDYXSVPQBIJTF-OAQYLSRUSA-N	1	0	374.481	1.459	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc(CO)ccc2F)C1	ZINC000968719633	1015568043	/nfs/dbraw/zinc/56/80/43/1015568043.db2.gz	YNYJLCUYSYXIAH-LMMKCTJWSA-N	1	0	362.445	1.990	20	30		FDEDRO
N#CCOc1ccc(C[NH2+]C2CCN(CCN3CCOCC3)CC2)cc1	ZINC000371668387	990611429	/nfs/dbraw/zinc/61/14/29/990611429.db2.gz	UASYSLKHCMNQIC-UHFFFAOYSA-N	1	0	358.486	1.475	20	30		FDEDRO
Cc1nc(CN2CCC[C@H]([NH2+]Cc3cnc4ccc(C#N)cn34)C2)no1	ZINC000371722310	990658650	/nfs/dbraw/zinc/65/86/50/990658650.db2.gz	DNZWIIJOLQGIKY-HNNXBMFYSA-N	1	0	351.414	1.652	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C	ZINC000874990985	990688057	/nfs/dbraw/zinc/68/80/57/990688057.db2.gz	XCBFGDRFTNPTAI-KGLIPLIRSA-N	1	0	351.472	1.012	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1	ZINC000875015005	990733188	/nfs/dbraw/zinc/73/31/88/990733188.db2.gz	XNZJMTMGSMZEBM-LJQANCHMSA-N	1	0	371.481	1.443	20	30		FDEDRO
C[NH+](C)CCN1CCC(NC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1	ZINC000875056218	990799916	/nfs/dbraw/zinc/79/99/16/990799916.db2.gz	LAVNPSRGDHMCTP-IBGZPJMESA-N	1	0	355.486	1.351	20	30		FDEDRO
CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCCN(c3ncccc3C#N)CC2)C1	ZINC000371947895	990842791	/nfs/dbraw/zinc/84/27/91/990842791.db2.gz	ABZXHBNKSDUACD-FUHWJXTLSA-N	1	0	370.501	1.904	20	30		FDEDRO
CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCCN(c3ncccc3C#N)CC2)C1	ZINC000371947900	990843345	/nfs/dbraw/zinc/84/33/45/990843345.db2.gz	ABZXHBNKSDUACD-SJLPKXTDSA-N	1	0	370.501	1.904	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N1CCC(C)([NH+]2CCCCC2)CC1	ZINC000875133091	990941267	/nfs/dbraw/zinc/94/12/67/990941267.db2.gz	XDASRHHBTCTLIH-UHFFFAOYSA-N	1	0	353.532	1.889	20	30		FDEDRO
Cc1ccn2c(c1)nnc2C1CC[NH+](CCC(=O)N(C)CCC#N)CC1	ZINC000372507115	991168758	/nfs/dbraw/zinc/16/87/58/991168758.db2.gz	PGTYVMFPWKDGJY-UHFFFAOYSA-N	1	0	354.458	1.979	20	30		FDEDRO
C#CCCCNC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1	ZINC000875239241	991170785	/nfs/dbraw/zinc/17/07/85/991170785.db2.gz	APQCUFJEFYEHCD-GHTZIAJQSA-N	1	0	353.466	1.497	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)c1	ZINC000372578152	991236718	/nfs/dbraw/zinc/23/67/18/991236718.db2.gz	KDAOJSYXDZTHEV-WBVHZDCISA-N	1	0	356.426	1.114	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1	ZINC000875283094	991257513	/nfs/dbraw/zinc/25/75/13/991257513.db2.gz	JJPIFZLIFPRPNO-INIZCTEOSA-N	1	0	363.502	1.444	20	30		FDEDRO
C=CC[N@@H+](CCN1CCOC[C@@H]1C)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000410365186	991267216	/nfs/dbraw/zinc/26/72/16/991267216.db2.gz	CNHSETFTXBJWJV-DLBZAZTESA-N	1	0	356.474	1.932	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC000372618490	991272192	/nfs/dbraw/zinc/27/21/92/991272192.db2.gz	AMRDTLSKMRGNPL-LSDHHAIUSA-N	1	0	359.401	1.519	20	30		FDEDRO
N#Cc1ccc2nc(N3CCC([NH2+][C@H]4CCS(=O)(=O)C4)CC3)ccc2c1	ZINC000372993421	991750789	/nfs/dbraw/zinc/75/07/89/991750789.db2.gz	RMZANGMOWNAVJM-KRWDZBQOSA-N	1	0	370.478	1.852	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)Cc2cccc(C#N)c2)C[C@H]1C	ZINC000410735732	991752040	/nfs/dbraw/zinc/75/20/40/991752040.db2.gz	KBTUFRVOJYMTAV-CRAIPNDOSA-N	1	0	356.470	1.848	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1	ZINC000875596976	991782488	/nfs/dbraw/zinc/78/24/88/991782488.db2.gz	XMFVDKNEPPCRRP-QGZVFWFLSA-N	1	0	351.491	1.111	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1	ZINC000875599145	991786127	/nfs/dbraw/zinc/78/61/27/991786127.db2.gz	FRMRPCYUSNQPFX-IBGZPJMESA-N	1	0	371.481	1.266	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1	ZINC000875605194	991794782	/nfs/dbraw/zinc/79/47/82/991794782.db2.gz	GJQZJQVZXGPTRP-GOSISDBHSA-N	1	0	371.481	1.264	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(C)c1	ZINC000875606984	991796879	/nfs/dbraw/zinc/79/68/79/991796879.db2.gz	XRWRGLDSTBLQPS-GOSISDBHSA-N	1	0	359.470	1.040	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2C)CC1	ZINC000875607460	991797650	/nfs/dbraw/zinc/79/76/50/991797650.db2.gz	JQHNNTMARBLOHF-LJQANCHMSA-N	1	0	371.481	1.184	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCC1(OCCO)CCC(F)(F)CC1	ZINC000875623001	991819081	/nfs/dbraw/zinc/81/90/81/991819081.db2.gz	NLWBMUQPOIZLSO-UHFFFAOYSA-N	1	0	361.433	1.198	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)cc1	ZINC000373115530	991930683	/nfs/dbraw/zinc/93/06/83/991930683.db2.gz	LMJNXPOTEOKLPA-RBUKOAKNSA-N	1	0	356.470	1.407	20	30		FDEDRO
Cn1ccnc1[C@H]1CCCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)C1	ZINC000373186266	991987579	/nfs/dbraw/zinc/98/75/79/991987579.db2.gz	DMKKHRFIUQQNNF-INIZCTEOSA-N	1	0	363.421	1.587	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3CN4CCC[C@H]4CO3)CC2)cc1	ZINC000373224281	992030680	/nfs/dbraw/zinc/03/06/80/992030680.db2.gz	RMFLZOKQEHFFMC-LEWJYISDSA-N	1	0	354.498	1.975	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000875831544	992054412	/nfs/dbraw/zinc/05/44/12/992054412.db2.gz	HPMGDKQYPPVSTD-HZPDHXFCSA-N	1	0	353.507	1.711	20	30		FDEDRO
C[NH+]1CCC(n2ccc(NC(=O)Cc3cccc(OCC#N)c3)n2)CC1	ZINC000373279088	992098824	/nfs/dbraw/zinc/09/88/24/992098824.db2.gz	RISQKJZFDYWRNF-UHFFFAOYSA-N	1	0	353.426	2.233	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1	ZINC000875913815	992186425	/nfs/dbraw/zinc/18/64/25/992186425.db2.gz	IAQURJWUHFMWKP-RTBURBONSA-N	1	0	359.470	1.133	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)ccc1C#N	ZINC000411694943	992558269	/nfs/dbraw/zinc/55/82/69/992558269.db2.gz	NZSVYVKFWMVWRW-UHFFFAOYSA-N	1	0	371.466	1.852	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)CC1	ZINC000374133587	992630611	/nfs/dbraw/zinc/63/06/11/992630611.db2.gz	WGHDSDSHRDSCSW-AQNXPRMDSA-N	1	0	365.477	1.605	20	30		FDEDRO
COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1ccc(C(C)(C)C#N)cc1	ZINC000876475382	992648104	/nfs/dbraw/zinc/64/81/04/992648104.db2.gz	KPABFVAPNOGNJC-HXUWFJFHSA-N	1	0	359.470	1.907	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)[C@]2(C#N)CCc3ccccc3C2)CC1(C)C	ZINC000374205009	992688753	/nfs/dbraw/zinc/68/87/53/992688753.db2.gz	MSFADTICLKRPEE-OAQYLSRUSA-N	1	0	354.498	1.827	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)s1	ZINC000876535302	992689282	/nfs/dbraw/zinc/68/92/82/992689282.db2.gz	WWJJQLALIHTRBU-OLZOCXBDSA-N	1	0	371.528	1.341	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1	ZINC000876620449	992746993	/nfs/dbraw/zinc/74/69/93/992746993.db2.gz	LUNDNDVNJCTALX-CVEARBPZSA-N	1	0	365.861	1.682	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cccc(OCC#N)c2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000374314712	992768482	/nfs/dbraw/zinc/76/84/82/992768482.db2.gz	DIBPGEIUDNMYEB-YLJYHZDGSA-N	1	0	370.497	1.616	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCc2ccc(S(=O)(=O)N(C)C)cc21	ZINC000876661956	992779465	/nfs/dbraw/zinc/77/94/65/992779465.db2.gz	RVEZDBOQNMIJPJ-ZDUSSCGKSA-N	1	0	357.863	1.296	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccccc1OCCN1CCOCC1	ZINC000876738687	992856608	/nfs/dbraw/zinc/85/66/08/992856608.db2.gz	JWGSANFDBOMATC-INIZCTEOSA-N	1	0	367.877	1.484	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNC(=O)[C@@H]2NCCc3cc(C#N)ccc32)CC1	ZINC000876758782	992882229	/nfs/dbraw/zinc/88/22/29/992882229.db2.gz	MRWFPLZVQDVAEJ-LJQANCHMSA-N	1	0	370.497	1.751	20	30		FDEDRO
Cc1noc(CCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)n1	ZINC000374876389	992962058	/nfs/dbraw/zinc/96/20/58/992962058.db2.gz	BZFHJZJEBJCIAB-UHFFFAOYSA-N	1	0	353.426	1.985	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)cc1	ZINC000375064162	992988854	/nfs/dbraw/zinc/98/88/54/992988854.db2.gz	HQJXFWVAVAJOCD-PBHICJAKSA-N	1	0	370.453	1.094	20	30		FDEDRO
N#Cc1cnc(Cl)c(C[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)c1	ZINC000876969923	992989578	/nfs/dbraw/zinc/98/95/78/992989578.db2.gz	DOBPTEVVSHLZMU-CYBMUJFWSA-N	1	0	361.785	1.865	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCO[C@@H](c2ccc(S(C)(=O)=O)cc2)C1	ZINC000876992720	992998209	/nfs/dbraw/zinc/99/82/09/992998209.db2.gz	ILHWUIZWSNYNSS-HUUCEWRRSA-N	1	0	372.874	1.460	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](Cc2nnc3ccccn32)C1	ZINC000375120978	992999614	/nfs/dbraw/zinc/99/96/14/992999614.db2.gz	MTYBLLQNRBLGLR-HUUCEWRRSA-N	1	0	370.457	1.384	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3CC)CC2)CC1	ZINC000964959986	1015753651	/nfs/dbraw/zinc/75/36/51/1015753651.db2.gz	NDUWCZLVHWBZPT-NZSAHSFTSA-N	1	0	359.514	1.875	20	30		FDEDRO
COC(=O)[C@@](C)(Cc1ccc(Cl)cc1)NC(=O)C#CC1CC[NH2+]CC1	ZINC000877205199	993102878	/nfs/dbraw/zinc/10/28/78/993102878.db2.gz	BNKHSWMRBHXIEJ-LJQANCHMSA-N	1	0	362.857	1.933	20	30		FDEDRO
C=CC[C@]1(C(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)CCC[NH2+]1	ZINC000877232898	993124488	/nfs/dbraw/zinc/12/44/88/993124488.db2.gz	GPWJVAYEPHTWGA-LJQANCHMSA-N	1	0	356.426	1.053	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CN(Cc2ccc(C)cc2)CCO1	ZINC000877248139	993144608	/nfs/dbraw/zinc/14/46/08/993144608.db2.gz	GTFRMACHEGYUIG-SJORKVTESA-N	1	0	351.878	1.782	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CN(Cc2cccc(C)c2)CCO1	ZINC000877248297	993145141	/nfs/dbraw/zinc/14/51/41/993145141.db2.gz	JQDHKEHAMCKMKK-SJORKVTESA-N	1	0	351.878	1.782	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2nnn(Cc3ccncc3)c2C)CC1	ZINC000796604911	1015763273	/nfs/dbraw/zinc/76/32/73/1015763273.db2.gz	ZUYMKGOTODCRIL-UHFFFAOYSA-N	1	0	352.442	1.247	20	30		FDEDRO
CC(=O)N1CCN(c2ccc(NC(=O)C#CC3CC[NH2+]CC3)cc2)CC1	ZINC000877289907	993183843	/nfs/dbraw/zinc/18/38/43/993183843.db2.gz	FUXCYIYMNUSZJE-UHFFFAOYSA-N	1	0	354.454	1.297	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NCc1c(I)cnn1C	ZINC000877291865	993186808	/nfs/dbraw/zinc/18/68/08/993186808.db2.gz	PKJPHHGRPCLQJG-QMMMGPOBSA-N	1	0	368.606	1.111	20	30		FDEDRO
Cn1cc(N2C[C@@H]3C[N@H+](Cc4ccc(OCC#N)cc4)C[C@@H]3C2=O)cn1	ZINC001137117770	993190823	/nfs/dbraw/zinc/19/08/23/993190823.db2.gz	FWPQVHYHJXIISE-YJBOKZPZSA-N	1	0	351.410	1.417	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CCC(=O)NC2)C3)c1	ZINC001095522144	993193146	/nfs/dbraw/zinc/19/31/46/993193146.db2.gz	CZVWYSLTFBWYGQ-YSHGAJCASA-N	1	0	366.465	1.696	20	30		FDEDRO
CN(C)C(=O)N[C@@H]1CCO[C@]2(CC[N@H+](Cc3ccc(OCC#N)cc3)C2)C1	ZINC001137118261	993198087	/nfs/dbraw/zinc/19/80/87/993198087.db2.gz	ROQOTEKZTYTNQN-YLJYHZDGSA-N	1	0	372.469	1.984	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCCn1ccc(C(F)(F)F)n1	ZINC000877311524	993203692	/nfs/dbraw/zinc/20/36/92/993203692.db2.gz	XMLXYTQJZKSWMM-OAHLLOKOSA-N	1	0	363.343	1.777	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CCNC2=O)C3)cc1	ZINC001095527095	993213495	/nfs/dbraw/zinc/21/34/95/993213495.db2.gz	RLOOZHLETVHORC-MHORFTMASA-N	1	0	352.438	1.306	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2	ZINC000375544483	993222669	/nfs/dbraw/zinc/22/26/69/993222669.db2.gz	GLCHJYMKDNGNDN-UHFFFAOYSA-N	1	0	355.438	1.724	20	30		FDEDRO
N#Cc1ccc([C@H](C(N)=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc1	ZINC000467206214	993277754	/nfs/dbraw/zinc/27/77/54/993277754.db2.gz	LNILXKZQNSSKRC-LJQANCHMSA-N	1	0	356.470	1.661	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cn1cccn1	ZINC001095534829	993291701	/nfs/dbraw/zinc/29/17/01/993291701.db2.gz	JJEKDTMERIEION-BDXSIMOUSA-N	1	0	369.469	1.267	20	30		FDEDRO
C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C2)C1	ZINC000965033341	1015794246	/nfs/dbraw/zinc/79/42/46/1015794246.db2.gz	GRZKBAHKDPXDBB-WZRIJVRPSA-N	1	0	369.893	1.392	20	30		FDEDRO
CC(=O)[C@@](C#N)(CCN1CCC[C@H](N2CCNC2=O)C1)c1ccccc1	ZINC000878106622	993714587	/nfs/dbraw/zinc/71/45/87/993714587.db2.gz	LKVXUWJCFDMQMS-ICSRJNTNSA-N	1	0	354.454	1.917	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1	ZINC000923714208	993759554	/nfs/dbraw/zinc/75/95/54/993759554.db2.gz	BYDQOOQVJSUHBS-WDEREUQCSA-N	1	0	370.272	1.551	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CC[N@H+]2CC)cc1	ZINC000878283303	993874138	/nfs/dbraw/zinc/87/41/38/993874138.db2.gz	GKPMWZGPUBFKGW-HNNXBMFYSA-N	1	0	366.487	1.709	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccc(CN3CCNC3=O)cc2)CC1	ZINC000923926464	994272459	/nfs/dbraw/zinc/27/24/59/994272459.db2.gz	JBHSJXGZSDMFOP-UHFFFAOYSA-N	1	0	369.469	1.109	20	30		FDEDRO
C#CC[C@@H](CO)NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC	ZINC000878842806	994280747	/nfs/dbraw/zinc/28/07/47/994280747.db2.gz	KSNGCCVSEBHXDH-HNNXBMFYSA-N	1	0	360.458	1.343	20	30		FDEDRO
CSc1ccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)cc1C#N	ZINC000923981970	994309398	/nfs/dbraw/zinc/30/93/98/994309398.db2.gz	VUXOEFWQFMBLTA-OAHLLOKOSA-N	1	0	360.483	1.306	20	30		FDEDRO
C#CC[N@@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)C1CSC1	ZINC000878911275	994343650	/nfs/dbraw/zinc/34/36/50/994343650.db2.gz	INCLEJPJKOBWHS-UHFFFAOYSA-N	1	0	351.859	1.818	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1cnnn1CC)C2	ZINC000965142081	1015858208	/nfs/dbraw/zinc/85/82/08/1015858208.db2.gz	UJKBNERBADAIPG-JUTOSJBISA-N	1	0	359.474	1.406	20	30		FDEDRO
CCOC(=O)c1nnn(C2CC[NH+](CCO[C@H](C)C#N)CC2)c1C(F)F	ZINC000879300164	994751702	/nfs/dbraw/zinc/75/17/02/994751702.db2.gz	VLLBZDWQNJUFRZ-LLVKDONJSA-N	1	0	371.388	1.958	20	30		FDEDRO
COc1cccc([C@H]2CN(CC(=O)N(CCC#N)CCC#N)CC[NH2+]2)c1	ZINC000879526128	994977799	/nfs/dbraw/zinc/97/77/99/994977799.db2.gz	UZSAKSYYMBOJKM-GOSISDBHSA-N	1	0	355.442	1.297	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H](NC(=O)[C@@H]3C[C@H]3CC)CC2)CC1	ZINC000965205303	1015911237	/nfs/dbraw/zinc/91/12/37/1015911237.db2.gz	IKDKTTLGXYGBKZ-NZSAHSFTSA-N	1	0	359.514	1.875	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCN(S(C)(=O)=O)C1	ZINC001110898742	995265296	/nfs/dbraw/zinc/26/52/96/995265296.db2.gz	RFUIZIDRMGVXRK-JJXSEGSLSA-N	1	0	369.531	1.202	20	30		FDEDRO
C[C@@H]1[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)CCN1Cc1ccccc1	ZINC000925414471	995575342	/nfs/dbraw/zinc/57/53/42/995575342.db2.gz	OEUFIFQZTULCPQ-QNFDFVDRSA-N	1	0	354.454	1.765	20	30		FDEDRO
Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCNC(=O)C2N=CC=CC2=O)n(C)n1	ZINC000925415504	995576781	/nfs/dbraw/zinc/57/67/81/995576781.db2.gz	RUOKXERHVLZLPK-XACUDEJRSA-N	1	0	357.458	1.556	20	30		FDEDRO
C#CCC1(NC(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)CCOCC1	ZINC000925428812	995590047	/nfs/dbraw/zinc/59/00/47/995590047.db2.gz	MZELQFLLRWEZAG-IRXDYDNUSA-N	1	0	361.486	1.008	20	30		FDEDRO
N#Cc1cccc(CNC(=O)CN2CCC[C@@H]([NH2+]C3CCOCC3)C2)c1	ZINC000880209268	995722947	/nfs/dbraw/zinc/72/29/47/995722947.db2.gz	RPOVAGBFKMGNSH-LJQANCHMSA-N	1	0	356.470	1.407	20	30		FDEDRO
N#Cc1cccc(CNC(=O)CN2CCC[C@H]([NH2+]C3CCOCC3)C2)c1	ZINC000880209265	995722994	/nfs/dbraw/zinc/72/29/94/995722994.db2.gz	RPOVAGBFKMGNSH-IBGZPJMESA-N	1	0	356.470	1.407	20	30		FDEDRO
COc1ccc(C#N)cc1CN1CCC(C(N)=O)([NH+]2CCCCC2)CC1	ZINC000880252377	995756646	/nfs/dbraw/zinc/75/66/46/995756646.db2.gz	HORVNXYHBYKWOP-UHFFFAOYSA-N	1	0	356.470	1.873	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1	ZINC000926091462	995916566	/nfs/dbraw/zinc/91/65/66/995916566.db2.gz	PLMQOABEKGQVPQ-LSDHHAIUSA-N	1	0	351.414	1.663	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)C2	ZINC000926146893	995937825	/nfs/dbraw/zinc/93/78/25/995937825.db2.gz	IAJCPOYCFIWFKC-WERVVEIQSA-N	1	0	370.497	1.834	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)[C@H](C)Oc1ccccc1C#N)C2	ZINC000926182608	995964223	/nfs/dbraw/zinc/96/42/23/995964223.db2.gz	ICZUPSBORQZEKD-MALKTNSBSA-N	1	0	371.481	1.921	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1cnon1)C2	ZINC000965380905	1016017102	/nfs/dbraw/zinc/01/71/02/1016017102.db2.gz	OUBIDGNKWXMQHH-FQLGJLQJSA-N	1	0	360.458	1.958	20	30		FDEDRO
C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H]1CCNC1=O	ZINC000926674783	996268836	/nfs/dbraw/zinc/26/88/36/996268836.db2.gz	XXAWEEXHJURQOB-KGLIPLIRSA-N	1	0	350.463	1.784	20	30		FDEDRO
CCO[C@H](CNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)C[NH+](C)C	ZINC000926820284	996321532	/nfs/dbraw/zinc/32/15/32/996321532.db2.gz	DGWDLRXPEOWWEW-LJQANCHMSA-N	1	0	373.501	1.352	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)NCC(=O)N(C)Cc1ccccc1)c1ccc(C#N)cc1	ZINC000926965768	996378367	/nfs/dbraw/zinc/37/83/67/996378367.db2.gz	VLCFKBFBWSZQGA-MRXNPFEDSA-N	1	0	364.449	1.984	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1	ZINC000887038294	996857312	/nfs/dbraw/zinc/85/73/12/996857312.db2.gz	PCRYRQSJEBZMQX-FQEVSTJZSA-N	1	0	373.428	1.768	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)Nc2cc(-n3nnnc3C)ccc2F)CCOCC1	ZINC000887123493	996954272	/nfs/dbraw/zinc/95/42/72/996954272.db2.gz	RLFDGMFWCKDMBP-UHFFFAOYSA-N	1	0	372.404	1.210	20	30		FDEDRO
CC(C)CCC[C@H](C)NC(=[NH2+])NCc1ccc(C(=O)NCC(N)=O)cc1	ZINC000264116811	997405404	/nfs/dbraw/zinc/40/54/04/997405404.db2.gz	QBOCFGRVDPTYKF-AWEZNQCLSA-N	1	0	361.490	1.521	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2ccc(N3CCO[C@H](C)C3)nc2)CC1	ZINC000264399721	997494569	/nfs/dbraw/zinc/49/45/69/997494569.db2.gz	MBSFBKJCUQTERN-MRXNPFEDSA-N	1	0	373.501	1.756	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3cccc(OCC#N)c3)C2)CC1	ZINC000264453661	997516326	/nfs/dbraw/zinc/51/63/26/997516326.db2.gz	NHUJNEKGZHKRSN-QGZVFWFLSA-N	1	0	357.458	1.833	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)CC1	ZINC000887729728	997709183	/nfs/dbraw/zinc/70/91/83/997709183.db2.gz	UOQWEBPKRPHTQF-IBGZPJMESA-N	1	0	356.470	1.486	20	30		FDEDRO
N#Cc1ccc([C@@H]2CN(C(=O)C3C[NH+](C4CCOCC4)C3)CCO2)cc1	ZINC000887738464	997714560	/nfs/dbraw/zinc/71/45/60/997714560.db2.gz	AZAAJYBDBYKOQT-IBGZPJMESA-N	1	0	355.438	1.569	20	30		FDEDRO
Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(F)c(C#N)c2)nn1	ZINC001095380309	997999180	/nfs/dbraw/zinc/99/91/80/997999180.db2.gz	APCWXZOPAGSANT-KMFMINBZSA-N	1	0	354.389	1.361	20	30		FDEDRO
C#CCCN(CCOC)C(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000826612862	998230143	/nfs/dbraw/zinc/23/01/43/998230143.db2.gz	YVHSCTCMSHGMPZ-UHFFFAOYSA-N	1	0	371.481	1.266	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000889773329	998637838	/nfs/dbraw/zinc/63/78/38/998637838.db2.gz	ANNGVPCBTWDGQY-MOPGFXCFSA-N	1	0	373.501	1.404	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N(C)C(=O)NC)cc2)CC1	ZINC000889961076	998747743	/nfs/dbraw/zinc/74/77/43/998747743.db2.gz	LLZOFYHGWLNFIV-UHFFFAOYSA-N	1	0	373.457	1.167	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1	ZINC000826669138	998754356	/nfs/dbraw/zinc/75/43/56/998754356.db2.gz	ZGDBAMPBFVGKAC-ZBBYCGENSA-N	1	0	374.485	1.816	20	30		FDEDRO
C[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(CC#N)n2)[C@H]1c1ccccc1	ZINC000890046743	998792357	/nfs/dbraw/zinc/79/23/57/998792357.db2.gz	ZTTPPJORXFTJCH-SJLPKXTDSA-N	1	0	363.421	1.648	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)NCC[N@H+]2CCC(C)(C)C2)cc1	ZINC000890079610	998807287	/nfs/dbraw/zinc/80/72/87/998807287.db2.gz	FQAHSGPITWCFFL-UHFFFAOYSA-N	1	0	363.483	1.060	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NC(C)(C)c2cn(-c3ccccc3)nn2)C1	ZINC000890369629	998917174	/nfs/dbraw/zinc/91/71/74/998917174.db2.gz	YBKPECPTDODIIM-INIZCTEOSA-N	1	0	366.469	1.899	20	30		FDEDRO
CC(C)[NH+]1CCC(CCNC(=O)C(=O)Nc2cccc(CC#N)n2)CC1	ZINC000890423413	998937204	/nfs/dbraw/zinc/93/72/04/998937204.db2.gz	MEGJOEKLWAXJGF-UHFFFAOYSA-N	1	0	357.458	1.713	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncc3cccnc31)C2	ZINC001110827810	998992790	/nfs/dbraw/zinc/99/27/90/998992790.db2.gz	CJRYNAUBDYXBAP-ZACQAIPSSA-N	1	0	355.442	1.355	20	30		FDEDRO
N#CCc1ccccc1CC(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000777380259	999049409	/nfs/dbraw/zinc/04/94/09/999049409.db2.gz	QXSNHRZVNLAJJY-GOSISDBHSA-N	1	0	354.454	1.236	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1OCCc3ccccc31)C2	ZINC001110882891	999109290	/nfs/dbraw/zinc/10/92/90/999109290.db2.gz	RNFUVNORTAONQQ-LMCOJAPRSA-N	1	0	354.450	1.672	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)NC1CC[NH+](CC2CCCC2)CC1	ZINC000266829293	999241713	/nfs/dbraw/zinc/24/17/13/999241713.db2.gz	JVYVTSRDWDSGKO-VXPUYCOJSA-N	1	0	374.485	1.674	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(NC(N)=O)CC2)c(OC)c1	ZINC000266863589	999251391	/nfs/dbraw/zinc/25/13/91/999251391.db2.gz	LFRHXXAVLBLUPV-INIZCTEOSA-N	1	0	363.458	1.296	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=NOCC(=O)NCc2ccc(F)cc2)cc1	ZINC000267006808	999286936	/nfs/dbraw/zinc/28/69/36/999286936.db2.gz	KDTGMKFDCSMCIA-UHFFFAOYSA-N	1	0	358.417	1.841	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](O)c2cccc(OC)c2)CC1	ZINC000267403883	999327331	/nfs/dbraw/zinc/32/73/31/999327331.db2.gz	GQHRTDOJAVZPLB-INIZCTEOSA-N	1	0	364.446	1.254	20	30		FDEDRO
COc1ccc(O[C@H](C)CNC(=[NH2+])N2CCN(c3ncccn3)CC2)cc1	ZINC000267431766	999333900	/nfs/dbraw/zinc/33/39/00/999333900.db2.gz	MVUYUAKTPSENEM-OAHLLOKOSA-N	1	0	370.457	1.389	20	30		FDEDRO
CCOCCC1(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)CCCC1	ZINC000268470423	999440476	/nfs/dbraw/zinc/44/04/76/999440476.db2.gz	XOEJVAKSDPEEGH-UHFFFAOYSA-N	1	0	360.506	1.900	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000269011042	999462352	/nfs/dbraw/zinc/46/23/52/999462352.db2.gz	LIXLFDRXAHEWHI-RTBURBONSA-N	1	0	371.481	1.876	20	30		FDEDRO
CNC(=O)COc1cccc(CC(=O)N(CCC#N)CCC[NH+](C)C)c1	ZINC000269433695	999468267	/nfs/dbraw/zinc/46/82/67/999468267.db2.gz	ONFZCXWTYZQRBR-UHFFFAOYSA-N	1	0	360.458	1.048	20	30		FDEDRO
CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000270263505	999533059	/nfs/dbraw/zinc/53/30/59/999533059.db2.gz	ZQRPQJZAWUKHOT-UHFFFAOYSA-N	1	0	372.469	1.264	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@](C)(O)c2ccc(F)cc2)CC1	ZINC000270462499	999562222	/nfs/dbraw/zinc/56/22/22/999562222.db2.gz	XGBQLWSIXPKIHO-SFHVURJKSA-N	1	0	366.437	1.558	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CCCC1	ZINC000271545478	999711124	/nfs/dbraw/zinc/71/11/24/999711124.db2.gz	ISSQHMRVIHTQTQ-UHFFFAOYSA-N	1	0	360.462	1.439	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1	ZINC000271641762	999720338	/nfs/dbraw/zinc/72/03/38/999720338.db2.gz	BDMVUHMUAAKYHM-QWHCGFSZSA-N	1	0	360.414	1.694	20	30		FDEDRO
CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1	ZINC000271655715	999721695	/nfs/dbraw/zinc/72/16/95/999721695.db2.gz	TXHBHGIBHMRDOX-UHFFFAOYSA-N	1	0	360.462	1.437	20	30		FDEDRO
COC(=O)COc1ccc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)cc1	ZINC000274425435	999738904	/nfs/dbraw/zinc/73/89/04/999738904.db2.gz	FSQRCORPCDQJJE-YJYMSZOUSA-N	1	0	359.426	1.697	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000283484945	999755220	/nfs/dbraw/zinc/75/52/20/999755220.db2.gz	GMSZEECTUOEAFU-UHFFFAOYSA-N	1	0	359.470	1.476	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCC[NH+]1CCC(C)CC1	ZINC000283662444	999760163	/nfs/dbraw/zinc/76/01/63/999760163.db2.gz	BYHIJXJOPFSCBF-UHFFFAOYSA-N	1	0	368.481	1.921	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](c2ccco2)N2CCCC2)CC1	ZINC000283863464	999762851	/nfs/dbraw/zinc/76/28/51/999762851.db2.gz	BSKORQYRFNOKNU-QGZVFWFLSA-N	1	0	374.485	1.299	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NCc1ccncc1C)C(C)C	ZINC000284040404	999775403	/nfs/dbraw/zinc/77/54/03/999775403.db2.gz	MDEQIXWDYYZSME-GOSISDBHSA-N	1	0	358.486	1.821	20	30		FDEDRO
C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000285787264	999921163	/nfs/dbraw/zinc/92/11/63/999921163.db2.gz	FFKSTHJSIRBRTQ-LSTHTHJFSA-N	1	0	368.481	1.849	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cc(C#N)ccc2NC)CC1=O	ZINC000285868686	999921744	/nfs/dbraw/zinc/92/17/44/999921744.db2.gz	HWSHYTQXSDGLBX-HOTGVXAUSA-N	1	0	369.469	1.871	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(C(=O)Cc2ccc(C#N)cc2)CC1	ZINC000286076630	999936727	/nfs/dbraw/zinc/93/67/27/999936727.db2.gz	DPBPALSDVJWNFS-UHFFFAOYSA-N	1	0	359.470	1.687	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@@H]2COc3ccccc3O2)CC1	ZINC000286434824	999944524	/nfs/dbraw/zinc/94/45/24/999944524.db2.gz	GPUFOLAASUZZLF-MRXNPFEDSA-N	1	0	373.453	1.051	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(C(C)(C)O)cc2)CC1	ZINC000286495011	999944784	/nfs/dbraw/zinc/94/47/84/999944784.db2.gz	KBAGDLMQTQNFOP-UHFFFAOYSA-N	1	0	373.497	1.687	20	30		FDEDRO
C#CCNc1nc(NC[C@H]2CCCOC2)[nH+]c(NC[C@H]2CCCOC2)n1	ZINC000286494562	999944847	/nfs/dbraw/zinc/94/48/47/999944847.db2.gz	VOVKXAHSIWGWJR-HUUCEWRRSA-N	1	0	360.462	1.594	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)CCOc2ccc(F)cc2)CC1	ZINC000286754610	999948965	/nfs/dbraw/zinc/94/89/65/999948965.db2.gz	SYWXHXBTBRPZEL-UHFFFAOYSA-N	1	0	363.433	1.430	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](c3ccc(OC)cc3)C2)CC1	ZINC000286758944	999949396	/nfs/dbraw/zinc/94/93/96/999949396.db2.gz	UBAATHHNFBTZGE-KRWDZBQOSA-N	1	0	371.481	1.778	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](c2cccnc2)C(C)C)CC1	ZINC000286862076	999952893	/nfs/dbraw/zinc/95/28/93/999952893.db2.gz	ZPJLVFYDZOMUSU-GOSISDBHSA-N	1	0	358.486	1.704	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1	ZINC000287534536	999958386	/nfs/dbraw/zinc/95/83/86/999958386.db2.gz	XSHZKXTXNPYQRQ-QGZVFWFLSA-N	1	0	373.497	1.962	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CCO1	ZINC000287883973	999969261	/nfs/dbraw/zinc/96/92/61/999969261.db2.gz	DTXQWOLVXBBFTI-MAUKXSAKSA-N	1	0	372.469	1.132	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000288236540	999999780	/nfs/dbraw/zinc/99/97/80/999999780.db2.gz	VGPUDPSQGYBZCN-XYPWUTKMSA-N	1	0	373.428	1.860	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c(F)c1	ZINC000288908955	1000058357	/nfs/dbraw/zinc/05/83/57/1000058357.db2.gz	HJGDZKOJCVTRFV-GXTWGEPZSA-N	1	0	361.392	1.970	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292537429	1000241126	/nfs/dbraw/zinc/24/11/26/1000241126.db2.gz	JEWUFUSTEUGRJF-XYPHTWIQSA-N	1	0	355.442	1.599	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)C1CCN(C(=O)OCC)CC1	ZINC000777641832	1001038990	/nfs/dbraw/zinc/03/89/90/1001038990.db2.gz	WKRLWDYTFXGRQD-STQMWFEESA-N	1	0	354.451	1.233	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cc21	ZINC000927795257	1001053829	/nfs/dbraw/zinc/05/38/29/1001053829.db2.gz	NQIKTIADYNNDRA-BHYGNILZSA-N	1	0	367.453	1.747	20	30		FDEDRO
N#CCCc1ccc(NC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)cc1	ZINC000927807467	1001068043	/nfs/dbraw/zinc/06/80/43/1001068043.db2.gz	OJQZEWMTLLLOTI-IBGZPJMESA-N	1	0	362.433	1.912	20	30		FDEDRO
N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c1	ZINC000927849524	1001116550	/nfs/dbraw/zinc/11/65/50/1001116550.db2.gz	TWOQVHFNWNZIEI-KOLCDFICSA-N	1	0	374.750	1.888	20	30		FDEDRO
CC1(C)CN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C[C@@H]1[NH3+]	ZINC000927852815	1001123648	/nfs/dbraw/zinc/12/36/48/1001123648.db2.gz	RIJXPECIACPELE-LBPRGKRZSA-N	1	0	365.231	1.455	20	30		FDEDRO
Cc1c(C(=O)N2CCC[C@H](C#N)C2)nnn1-c1cccc2c1CC[N@@H+](C)C2	ZINC000928220542	1001448774	/nfs/dbraw/zinc/44/87/74/1001448774.db2.gz	IREKHXXZMPVRPR-OAHLLOKOSA-N	1	0	364.453	1.939	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@]2(CC#C)CCCN2C(=O)OC(C)(C)C)CC1	ZINC000928652833	1001609948	/nfs/dbraw/zinc/60/99/48/1001609948.db2.gz	OMSNKWXUCQRTPE-NRFANRHFSA-N	1	0	373.497	1.993	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000928653197	1001610384	/nfs/dbraw/zinc/61/03/84/1001610384.db2.gz	CSIZAKUMPIUGBG-INIZCTEOSA-N	1	0	354.429	1.737	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1	ZINC000928653917	1001610391	/nfs/dbraw/zinc/61/03/91/1001610391.db2.gz	GCANRUSSGBRQPB-QGZVFWFLSA-N	1	0	356.382	1.302	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cc(NC(C)=O)c(OC)c(OC)c2)CC1	ZINC000928656447	1001612052	/nfs/dbraw/zinc/61/20/52/1001612052.db2.gz	VBCJOMCNNOHNIA-UHFFFAOYSA-N	1	0	359.426	1.490	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CCN(c3cc(C)cc(C)c3)C2=O)CC1	ZINC000928657407	1001613252	/nfs/dbraw/zinc/61/32/52/1001613252.db2.gz	HQOQJWXTUNQYLH-LJQANCHMSA-N	1	0	353.466	1.870	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1	ZINC000928658360	1001614065	/nfs/dbraw/zinc/61/40/65/1001614065.db2.gz	HDCUNAGVAUABRB-UHFFFAOYSA-N	1	0	372.425	1.259	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)/C(=C/c2ccccc2)n2nnnc2C)CC1	ZINC000928659551	1001615272	/nfs/dbraw/zinc/61/52/72/1001615272.db2.gz	QWIKGLTWCFABOF-JXAWBTAJSA-N	1	0	350.426	1.193	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Nc1ccccc1I	ZINC000929134746	1001767735	/nfs/dbraw/zinc/76/77/35/1001767735.db2.gz	DJQHYKMPLZOCQN-UHFFFAOYSA-N	1	0	357.195	1.978	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[NH+]2CCC(C(=O)NCCOC)CC2)cc1	ZINC000929166834	1001788090	/nfs/dbraw/zinc/78/80/90/1001788090.db2.gz	BRACVAUEAQBQPN-UHFFFAOYSA-N	1	0	357.454	1.471	20	30		FDEDRO
C#CCN(C(=O)C(=O)NC[C@H](CC)c1ccccc1)C1CC[NH+](C)CC1	ZINC000929226659	1001829042	/nfs/dbraw/zinc/82/90/42/1001829042.db2.gz	NRUCMIWBBXYKLF-KRWDZBQOSA-N	1	0	355.482	1.852	20	30		FDEDRO
N#Cc1ccnc(N2CC[NH+](C[C@H](O)CC[C@@H](O)c3ccccc3)CC2)c1	ZINC000929267951	1001880538	/nfs/dbraw/zinc/88/05/38/1001880538.db2.gz	BMFKRUSVDAKTBE-WOJBJXKFSA-N	1	0	366.465	1.950	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1	ZINC000947941618	1001971101	/nfs/dbraw/zinc/97/11/01/1001971101.db2.gz	PSWRQBNDIVBNQI-ONIAQPFYSA-N	1	0	363.502	1.415	20	30		FDEDRO
N#Cc1cnc2ccccc2c1N1CC[NH+](C[C@@H](O)C2(O)CCC2)CC1	ZINC000929427390	1002042824	/nfs/dbraw/zinc/04/28/24/1002042824.db2.gz	UPECPTVYAOWGSJ-GOSISDBHSA-N	1	0	352.438	1.504	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC)C1	ZINC001111574648	1002384972	/nfs/dbraw/zinc/38/49/72/1002384972.db2.gz	MVPAXOGLFYLQDF-LPHOPBHVSA-N	1	0	351.491	1.418	20	30		FDEDRO
C[C@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C)[NH+]1CCCCCC1	ZINC000948579831	1002466440	/nfs/dbraw/zinc/46/64/40/1002466440.db2.gz	NFDBSRDKQIWJSK-IIDMSEBBSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=C(Br)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2	ZINC001111277497	1002471108	/nfs/dbraw/zinc/47/11/08/1002471108.db2.gz	VDUTZVPVIVYYNX-MCIONIFRSA-N	1	0	360.296	1.195	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cc1	ZINC000929858734	1002522352	/nfs/dbraw/zinc/52/23/52/1002522352.db2.gz	FIVVIELZIYXHRB-MSOLQXFVSA-N	1	0	372.469	1.665	20	30		FDEDRO
C=C(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC000948775747	1002663542	/nfs/dbraw/zinc/66/35/42/1002663542.db2.gz	PWXYGTDIEBQLMZ-FGTMMUONSA-N	1	0	365.518	1.901	20	30		FDEDRO
CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCCCCC#N)[NH+](C)C)cc1	ZINC000929988199	1002705132	/nfs/dbraw/zinc/70/51/32/1002705132.db2.gz	XFKUXCFNAHTQCV-QGZVFWFLSA-N	1	0	359.474	1.282	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1	ZINC000190018701	1002748631	/nfs/dbraw/zinc/74/86/31/1002748631.db2.gz	NNOVDFTVQBSCCU-INIZCTEOSA-N	1	0	373.428	1.863	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CCC12CC[NH+](C)CC2	ZINC000930128174	1002853961	/nfs/dbraw/zinc/85/39/61/1002853961.db2.gz	YBEFSFXZLUKLHO-UHFFFAOYSA-N	1	0	357.454	1.564	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C)nc1	ZINC000948995233	1002914487	/nfs/dbraw/zinc/91/44/87/1002914487.db2.gz	VMEXKCBAFFKSDG-DNVCBOLYSA-N	1	0	368.481	1.372	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1	ZINC000949112975	1003001507	/nfs/dbraw/zinc/00/15/07/1003001507.db2.gz	DIAJORLDODRJQQ-KURKYZTESA-N	1	0	365.518	1.663	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+](C)CCOCCN2C(=O)c3ccccc3C2=O)C1=O	ZINC000930310882	1003013870	/nfs/dbraw/zinc/01/38/70/1003013870.db2.gz	SFQQBWDIDHSPGE-KRWDZBQOSA-N	1	0	371.437	1.018	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H]1CCC[C@@H](SCC)C1)C1CC[NH+](C)CC1	ZINC000930438585	1003129406	/nfs/dbraw/zinc/12/94/06/1003129406.db2.gz	HEKVTLBEXDYCII-NVXWUHKLSA-N	1	0	365.543	1.723	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H]1C[C@@H](OC)C1(CC)CC)C1CC[NH+](C)CC1	ZINC000930511399	1003221791	/nfs/dbraw/zinc/22/17/91/1003221791.db2.gz	ICUTXQKMFCSVHT-DLBZAZTESA-N	1	0	363.502	1.252	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CCCN(CC(F)(F)F)C1=O	ZINC000930704043	1003416589	/nfs/dbraw/zinc/41/65/89/1003416589.db2.gz	TTZAAWWAJZQPQH-ZDUSSCGKSA-N	1	0	362.396	1.481	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000949532837	1003449174	/nfs/dbraw/zinc/44/91/74/1003449174.db2.gz	JVWQWWRZVVAPBB-JWZBEHFJSA-N	1	0	357.458	1.193	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H](CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1	ZINC000930853508	1003586585	/nfs/dbraw/zinc/58/65/85/1003586585.db2.gz	UQLGHEMUYMPZDR-AWEZNQCLSA-N	1	0	353.430	1.992	20	30		FDEDRO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	ZINC000930861400	1003598992	/nfs/dbraw/zinc/59/89/92/1003598992.db2.gz	IFWPKPHUFKVOBC-LQWHRVPQSA-N	1	0	355.482	1.700	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1	ZINC001006446855	1003663731	/nfs/dbraw/zinc/66/37/31/1003663731.db2.gz	BAYOGOYRXQMSRG-OIISXLGYSA-N	1	0	361.486	1.169	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)C3(C4CC4)CCC3)C2)CC1	ZINC000949862143	1003757188	/nfs/dbraw/zinc/75/71/88/1003757188.db2.gz	LRCDEBVMMWTWMF-VQIMIIECSA-N	1	0	371.525	1.875	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C[C@H]2C)nc1	ZINC000949887357	1003779048	/nfs/dbraw/zinc/77/90/48/1003779048.db2.gz	RJSTWELEZCKEGP-LZQZEXGQSA-N	1	0	368.481	1.514	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1	ZINC000931080299	1003855758	/nfs/dbraw/zinc/85/57/58/1003855758.db2.gz	BNCQYUALSOFJPV-WWGRRREGSA-N	1	0	362.455	1.540	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccn(CC[NH+](C)C)n2)c1	ZINC000931198469	1003953355	/nfs/dbraw/zinc/95/33/55/1003953355.db2.gz	LZSZHKLTHIDSSN-UHFFFAOYSA-N	1	0	374.466	1.494	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1ccc(C)nc1Cl)C1CC[NH+](C)CC1	ZINC000931229297	1003979736	/nfs/dbraw/zinc/97/97/36/1003979736.db2.gz	MZOBTNXUMHTZIL-UHFFFAOYSA-N	1	0	362.861	1.216	20	30		FDEDRO
Cc1cc(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c(C#N)cc1N(C)C	ZINC000931446912	1004170717	/nfs/dbraw/zinc/17/07/17/1004170717.db2.gz	WZFPQRWHJBTWDQ-QZTJIDSGSA-N	1	0	371.485	1.996	20	30		FDEDRO
C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NCc3cc(C#N)ccc3F)C2)CC1	ZINC000931595038	1004298826	/nfs/dbraw/zinc/29/88/26/1004298826.db2.gz	CTVUEQMPNNRMRX-INIZCTEOSA-N	1	0	372.444	1.504	20	30		FDEDRO
CCC1([NH+](C)C)CCN(C(=O)C(=O)NCc2cc(C#N)ccc2F)CC1	ZINC000931597590	1004301997	/nfs/dbraw/zinc/30/19/97/1004301997.db2.gz	CVEOUQMPCDFBCK-UHFFFAOYSA-N	1	0	360.433	1.646	20	30		FDEDRO
COc1ccccc1C[C@@](C)(CO)[NH2+]C[C@@H](O)CC1(C#N)CCOCC1	ZINC000931599960	1004303809	/nfs/dbraw/zinc/30/38/09/1004303809.db2.gz	GANUERCQGHLLMS-HKUYNNGSSA-N	1	0	362.470	1.650	20	30		FDEDRO
COc1ccccc1C[C@@](C)(CO)[NH2+]CC(=O)NC1(C#N)CCCCC1	ZINC000931607577	1004311041	/nfs/dbraw/zinc/31/10/41/1004311041.db2.gz	QRPDMHIQQFLRSX-IBGZPJMESA-N	1	0	359.470	1.921	20	30		FDEDRO
CC(C)(C)OC(=O)[C@@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@H]1C1CC1	ZINC000931846893	1004531641	/nfs/dbraw/zinc/53/16/41/1004531641.db2.gz	YIVAPCPWCGILLQ-DLBZAZTESA-N	1	0	374.485	1.942	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2cc(N(C)C)n3nc(C)cc3n2)CC1	ZINC000931983252	1004669393	/nfs/dbraw/zinc/66/93/93/1004669393.db2.gz	CFXIRHJGMOVFKI-UHFFFAOYSA-N	1	0	355.446	1.323	20	30		FDEDRO
COc1cc(NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c(F)cc1C#N	ZINC000931983926	1004670739	/nfs/dbraw/zinc/67/07/39/1004670739.db2.gz	NTZGCEDGTBNEKA-JKSUJKDBSA-N	1	0	362.405	1.769	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(F)(F)C(F)F)C2	ZINC001111028927	1004884851	/nfs/dbraw/zinc/88/48/51/1004884851.db2.gz	XJJMWEOASZYSPH-KKOKHZNYSA-N	1	0	365.371	1.689	20	30		FDEDRO
COc1ncc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cc1C#N	ZINC000932506127	1004990470	/nfs/dbraw/zinc/99/04/70/1004990470.db2.gz	GIHJWNMZTMMWOQ-INIZCTEOSA-N	1	0	360.462	1.355	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](CCNC(=O)OC(C)(C)C)C1	ZINC000932698096	1005106882	/nfs/dbraw/zinc/10/68/82/1005106882.db2.gz	CNHDSFVQNYRONZ-HNNXBMFYSA-N	1	0	352.479	1.985	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)C[NH+](CC)CC)c1	ZINC000932719992	1005123398	/nfs/dbraw/zinc/12/33/98/1005123398.db2.gz	CUIVYDJNBRPZMT-OAHLLOKOSA-N	1	0	350.484	1.944	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1	ZINC000932960259	1005282799	/nfs/dbraw/zinc/28/27/99/1005282799.db2.gz	COYMSCXODJEGHP-NJAFHUGGSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1	ZINC000932961958	1005284998	/nfs/dbraw/zinc/28/49/98/1005284998.db2.gz	PGZPNCYHVDCVML-QGZVFWFLSA-N	1	0	351.491	1.561	20	30		FDEDRO
COC(=O)[C@@H]1CCN(CC#CC[N@@H+]2CC[C@H](C(=O)OC)C[C@@H]2C)[C@H](C)C1	ZINC000933168604	1005508659	/nfs/dbraw/zinc/50/86/59/1005508659.db2.gz	XEAGJNYFGVPMQA-USTZCAOPSA-N	1	0	364.486	1.537	20	30		FDEDRO
C[NH+](C)CCOc1ccc(/C=C\C(=O)NCC2CCN(CC#N)CC2)cc1	ZINC000933486341	1005567853	/nfs/dbraw/zinc/56/78/53/1005567853.db2.gz	YWVJAYRHLQLMHI-YVMONPNESA-N	1	0	370.497	1.992	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+](C)C2(CNC(=O)OC(C)(C)C)CCOCC2)C1=O	ZINC000933497200	1005569848	/nfs/dbraw/zinc/56/98/48/1005569848.db2.gz	DRHMHKHPFOVJAT-HNNXBMFYSA-N	1	0	367.490	1.779	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(OCC)c1)C2	ZINC001111066748	1005692254	/nfs/dbraw/zinc/69/22/54/1005692254.db2.gz	ZIBDKPRLBAJATL-NXHRZFHOSA-N	1	0	355.438	1.170	20	30		FDEDRO
N#CCCN(C(=O)CN1CC[C@H]2[C@H]1CCC[N@H+]2CCO)c1ccccc1	ZINC000934254954	1005722201	/nfs/dbraw/zinc/72/22/01/1005722201.db2.gz	GEUYFLRNNNJFQB-MOPGFXCFSA-N	1	0	356.470	1.464	20	30		FDEDRO
CC(=O)[C@](C#N)(CCN1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)c1ccccc1	ZINC000934276681	1005727942	/nfs/dbraw/zinc/72/79/42/1005727942.db2.gz	VCTBXTUCCTVHIZ-PWRODBHTSA-N	1	0	355.482	1.958	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1cccs1)C2	ZINC001111081362	1005809920	/nfs/dbraw/zinc/80/99/20/1005809920.db2.gz	RHEAMOFDZDHBPS-SRABZTEZSA-N	1	0	359.495	1.398	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000935631632	1005946494	/nfs/dbraw/zinc/94/64/94/1005946494.db2.gz	IAMFWJVRVVECGR-QZTJIDSGSA-N	1	0	354.454	1.648	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC(C)C	ZINC001111107256	1006081333	/nfs/dbraw/zinc/08/13/33/1006081333.db2.gz	NKYAYTIVMDZZQP-BDXSIMOUSA-N	1	0	351.491	1.604	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](O)COC)cc1	ZINC001111112579	1006231001	/nfs/dbraw/zinc/23/10/01/1006231001.db2.gz	UWRNMZWBPLMTTL-RWQQGDIJSA-N	1	0	358.438	1.041	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH]c(=O)c1=O)C2	ZINC001111152209	1006486546	/nfs/dbraw/zinc/48/65/46/1006486546.db2.gz	SBHFYAXQWRSDFS-FPCVCCKLSA-N	1	0	360.458	1.003	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2	ZINC001111162758	1006545475	/nfs/dbraw/zinc/54/54/75/1006545475.db2.gz	JADVLCSCPTVPFE-VXNCWWDNSA-N	1	0	364.534	1.377	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1	ZINC000954391851	1006679850	/nfs/dbraw/zinc/67/98/50/1006679850.db2.gz	FBUSGRXROQSMNR-ULQDDVLXSA-N	1	0	351.491	1.223	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)CC[NH+]2CCCCC2)C1	ZINC000954394953	1006694173	/nfs/dbraw/zinc/69/41/73/1006694173.db2.gz	VLJCJIOGZRSWDY-HKUYNNGSSA-N	1	0	363.502	1.513	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(CCOCC)c1)C2	ZINC001111195047	1006798788	/nfs/dbraw/zinc/79/87/88/1006798788.db2.gz	QISQVXMRFFDWCJ-KURKYZTESA-N	1	0	362.474	1.457	20	30		FDEDRO
C[NH+]=C(NCc1cccc(CN2CCCC2=O)c1)N1CC[C@]2(CCOC2)C1	ZINC000158001869	1006951472	/nfs/dbraw/zinc/95/14/72/1006951472.db2.gz	IDLAGIYPHZOKGS-NRFANRHFSA-N	1	0	370.497	1.997	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(C(C)C)c1C)C2	ZINC001111261456	1007292653	/nfs/dbraw/zinc/29/26/53/1007292653.db2.gz	SEMVCLPPFSJKLK-AHCXZYCDSA-N	1	0	371.485	1.245	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC000957010734	1007514336	/nfs/dbraw/zinc/51/43/36/1007514336.db2.gz	ULYDKPZMBJNALH-JTDSTZFVSA-N	1	0	361.486	1.171	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@](C)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC000957013122	1007525288	/nfs/dbraw/zinc/52/52/88/1007525288.db2.gz	XNHRUXYILDHMQJ-WIBUTAKZSA-N	1	0	354.454	1.124	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000957014318	1007532911	/nfs/dbraw/zinc/53/29/11/1007532911.db2.gz	XDCINBFFAVAZRW-GMBSWORKSA-N	1	0	357.458	1.337	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000957069967	1007646158	/nfs/dbraw/zinc/64/61/58/1007646158.db2.gz	JVHPFUVPBTVVRG-UEXGIBASSA-N	1	0	357.498	1.485	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1	ZINC001006425878	1007757190	/nfs/dbraw/zinc/75/71/90/1007757190.db2.gz	IKWMLVHPOODSLE-VHSSKADRSA-N	1	0	368.437	1.502	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)cn1	ZINC000947631627	1007760908	/nfs/dbraw/zinc/76/09/08/1007760908.db2.gz	HPPFEKYTFGKKQM-RBUKOAKNSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)cn1	ZINC000956128111	1007904188	/nfs/dbraw/zinc/90/41/88/1007904188.db2.gz	YCVLIPQXOUUOEO-GBESFXJTSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@]2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000957264738	1008059686	/nfs/dbraw/zinc/05/96/86/1008059686.db2.gz	CMGQSOBYKSIQSU-FPDPHYFHSA-N	1	0	353.466	1.729	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC2(C)CCN(C(=O)c3ccc(C#N)[nH]3)CC2)CC[N@@H+]1C	ZINC000956386371	1008088577	/nfs/dbraw/zinc/08/85/77/1008088577.db2.gz	DMXSDYZFQQUJDK-UKRRQHHQSA-N	1	0	357.458	1.337	20	30		FDEDRO
CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CCN(C(=O)c2c[nH]c(C#N)c2)CC1	ZINC000956407555	1008120663	/nfs/dbraw/zinc/12/06/63/1008120663.db2.gz	PKBRUMNZZWYECS-HUUCEWRRSA-N	1	0	366.425	1.524	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C)cn1	ZINC000949943703	1008546156	/nfs/dbraw/zinc/54/61/56/1008546156.db2.gz	QTGRAUAQCZNSBZ-RHSMWYFYSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)cc1	ZINC000646237971	1008600221	/nfs/dbraw/zinc/60/02/21/1008600221.db2.gz	FTFSWYLKVNUAOI-UHFFFAOYSA-N	1	0	372.469	1.931	20	30		FDEDRO
C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@@H]1C[NH2+]CCCO1	ZINC000648825667	1008657046	/nfs/dbraw/zinc/65/70/46/1008657046.db2.gz	ARMYSFWNEWPLIT-INIZCTEOSA-N	1	0	356.426	1.545	20	30		FDEDRO
C=CCn1cc(CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)nn1	ZINC000646389077	1008723966	/nfs/dbraw/zinc/72/39/66/1008723966.db2.gz	FRBXJSGVRYAGQC-OAHLLOKOSA-N	1	0	364.247	1.717	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)CC1CC[NH+](C)CC1	ZINC000950232807	1008916580	/nfs/dbraw/zinc/91/65/80/1008916580.db2.gz	KPHGNODTZGMPLP-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC000950244264	1008944667	/nfs/dbraw/zinc/94/46/67/1008944667.db2.gz	XTCAFUOPKHUKRE-IXDOHACOSA-N	1	0	371.481	1.922	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1	ZINC000649181613	1008965285	/nfs/dbraw/zinc/96/52/85/1008965285.db2.gz	FAKVUJMXMNAJIG-KRWDZBQOSA-N	1	0	354.454	1.616	20	30		FDEDRO
CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(Cc2cc(C#N)ccc2OC)C1	ZINC000950357549	1009065445	/nfs/dbraw/zinc/06/54/45/1009065445.db2.gz	SIBTXCTYELICAP-DNVCBOLYSA-N	1	0	370.497	1.940	20	30		FDEDRO
CCN(CC)[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)c1ccccc1	ZINC000303776915	1009575650	/nfs/dbraw/zinc/57/56/50/1009575650.db2.gz	ICFGSOFONHVGFS-IBGZPJMESA-N	1	0	361.534	1.696	20	30		FDEDRO
CCC[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCC(Nc2ccnc(C#N)n2)CC1	ZINC001111322421	1009591315	/nfs/dbraw/zinc/59/13/15/1009591315.db2.gz	IYSARIXQTSFFTL-GDBMZVCRSA-N	1	0	356.474	1.199	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c(cn1)OCCC3)C2	ZINC001111326687	1009629213	/nfs/dbraw/zinc/62/92/13/1009629213.db2.gz	FSASAEYNLJMEGC-INMHGKMJSA-N	1	0	370.453	1.044	20	30		FDEDRO
C[C@H]1CCCN(C(=[NH2+])NCCc2ccc(OCC(=O)NC3CC3)cc2)C1	ZINC000303863171	1009643235	/nfs/dbraw/zinc/64/32/35/1009643235.db2.gz	AAJSNFWTZXHNNH-HNNXBMFYSA-N	1	0	358.486	1.933	20	30		FDEDRO
CC[C@@H]1OCC[C@H]1C(=O)NCC[NH+]1CCC(Nc2ccc(C#N)nc2)CC1	ZINC001111331728	1009678832	/nfs/dbraw/zinc/67/88/32/1009678832.db2.gz	QHXMCKJBPVONQH-MOPGFXCFSA-N	1	0	371.485	1.761	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCn1cncn1	ZINC000960316175	1009970780	/nfs/dbraw/zinc/97/07/80/1009970780.db2.gz	VWSGNMKLTNLEGG-AKHDSKFASA-N	1	0	367.453	1.241	20	30		FDEDRO
C=CCOc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1	ZINC000950952145	1010103506	/nfs/dbraw/zinc/10/35/06/1010103506.db2.gz	GVUBKLMVBPICMY-SZVBFZGTSA-N	1	0	371.481	1.922	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C)cc1	ZINC000959659225	1010403689	/nfs/dbraw/zinc/40/36/89/1010403689.db2.gz	VHZKHDLPCBCOLA-VQIMIIECSA-N	1	0	367.493	1.977	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1	ZINC000951111702	1010464055	/nfs/dbraw/zinc/46/40/55/1010464055.db2.gz	PWDHEUADWNSIPP-OTWHNJEPSA-N	1	0	371.481	1.670	20	30		FDEDRO
C=CCN(CC=C)C(=O)CONC(=[NH2+])[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000779648046	1010643857	/nfs/dbraw/zinc/64/38/57/1010643857.db2.gz	KRAJCNIZIHLLGF-SFHVURJKSA-N	1	0	372.469	1.586	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1	ZINC000951297405	1010703282	/nfs/dbraw/zinc/70/32/82/1010703282.db2.gz	AFACFTSGAPJPEZ-JQHSSLGASA-N	1	0	368.437	1.646	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@]2(CO)CCCN(c3ncccc3C#N)C2)CC[N@@H+]1C	ZINC001111373239	1010837681	/nfs/dbraw/zinc/83/76/81/1010837681.db2.gz	DQIAHZFSXXNBRP-QKLQHJQFSA-N	1	0	371.485	1.131	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1-n1cnnn1)C2	ZINC001111384102	1010993060	/nfs/dbraw/zinc/99/30/60/1010993060.db2.gz	SWOQZZZLXWHRNB-KYJSFNMBSA-N	1	0	368.441	1.200	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H](O)C2)CC1	ZINC000963074398	1011810582	/nfs/dbraw/zinc/81/05/82/1011810582.db2.gz	IDEBMLRGEMUHDH-SQNIBIBYSA-N	1	0	363.502	1.294	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)C#CC2CC2)CC[N@@H+]1C	ZINC000952538258	1011811826	/nfs/dbraw/zinc/81/18/26/1011811826.db2.gz	RZYPHQJRJVSDKW-YDZRNGNQSA-N	1	0	357.498	1.722	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1csc3nccn13)C2	ZINC001111409073	1012204922	/nfs/dbraw/zinc/20/49/22/1012204922.db2.gz	FMONQFUNOTXZIE-BMFZPTHFSA-N	1	0	360.483	1.862	20	30		FDEDRO
C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)CC2)C1	ZINC000961405740	1012340617	/nfs/dbraw/zinc/34/06/17/1012340617.db2.gz	LXFQBBPDEGNLHT-QRVBRYPASA-N	1	0	359.514	1.685	20	30		FDEDRO
C#CCCS(=O)(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000718022278	1012352315	/nfs/dbraw/zinc/35/23/15/1012352315.db2.gz	VZJWAJMUJVTHDI-UHFFFAOYSA-N	1	0	350.484	1.346	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+][C@H]1CCCNC1=O)C2	ZINC000963815151	1012730708	/nfs/dbraw/zinc/73/07/08/1012730708.db2.gz	DSXVACVCRGWNQB-AXGZNRHMSA-N	1	0	361.486	1.263	20	30		FDEDRO
C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21	ZINC000961807172	1012865368	/nfs/dbraw/zinc/86/53/68/1012865368.db2.gz	MMTZLANKAKPRRH-UVMNYOIOSA-N	1	0	355.438	1.560	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](C)O1	ZINC000961847764	1012936971	/nfs/dbraw/zinc/93/69/71/1012936971.db2.gz	QMQVAKHCNDPJQU-CCVIWZPMSA-N	1	0	355.438	1.681	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCC([NH2+]CCc2ccnn2C)CC1	ZINC000963926374	1012971200	/nfs/dbraw/zinc/97/12/00/1012971200.db2.gz	JSDFFPPBWNDCGZ-HWMSQKFYSA-N	1	0	360.502	1.913	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)nc1	ZINC000953977682	1013011576	/nfs/dbraw/zinc/01/15/76/1013011576.db2.gz	YCOFGZNLARIJSU-CRAIPNDOSA-N	1	0	368.481	1.466	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)CC2)CC[N@@H+]1C	ZINC000963960937	1013012342	/nfs/dbraw/zinc/01/23/42/1013012342.db2.gz	QHKZRLSYQFMXCS-GZOSKZMVSA-N	1	0	371.485	1.631	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1	ZINC000190869650	178029727	/nfs/dbraw/zinc/02/97/27/178029727.db2.gz	KANIXUOLQZVKCJ-UKRRQHHQSA-N	1	0	358.442	1.837	20	30		FDEDRO
Cn1cc(C[NH2+]CC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C#N	ZINC000191003921	178035534	/nfs/dbraw/zinc/03/55/34/178035534.db2.gz	QTSUMHHJKNBXOF-UHFFFAOYSA-N	1	0	371.872	1.989	20	30		FDEDRO
C[NH+]1CCC(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000192343941	178110917	/nfs/dbraw/zinc/11/09/17/178110917.db2.gz	ZUJNLCXDRHBYJT-KRWDZBQOSA-N	1	0	355.442	1.053	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000192583450	178122097	/nfs/dbraw/zinc/12/20/97/178122097.db2.gz	KZSJUOXXYCUETG-ZDUSSCGKSA-N	1	0	357.458	1.654	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1	ZINC000192583471	178122459	/nfs/dbraw/zinc/12/24/59/178122459.db2.gz	KZSJUOXXYCUETG-CYBMUJFWSA-N	1	0	357.458	1.654	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(F)cn1	ZINC000193023527	178143374	/nfs/dbraw/zinc/14/33/74/178143374.db2.gz	WFDJUTWPMMNLDY-UHFFFAOYSA-N	1	0	369.400	1.621	20	30		FDEDRO
C[C@@H]1C[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1N1CCOCC1	ZINC000245533245	178365236	/nfs/dbraw/zinc/36/52/36/178365236.db2.gz	VERFMRDJTTYEOH-NSISKUIASA-N	1	0	368.481	1.706	20	30		FDEDRO
CCC(CC)(NC(=O)C1C[NH+](CCOc2ccc(C#N)cc2)C1)C(N)=O	ZINC000513275413	538992265	/nfs/dbraw/zinc/99/22/65/538992265.db2.gz	DYIZXWPCSSFEGT-UHFFFAOYSA-N	1	0	358.442	1.029	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)c2cnccc2C#N)CC1	ZINC000513535595	539000041	/nfs/dbraw/zinc/00/00/41/539000041.db2.gz	YDBQAMWBBCGDCQ-UHFFFAOYSA-N	1	0	357.458	1.310	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2c2ncc[nH]2)c1	ZINC000116297774	210171168	/nfs/dbraw/zinc/17/11/68/210171168.db2.gz	OPWNJBGQPPWQDV-INIZCTEOSA-N	1	0	372.450	1.689	20	30		FDEDRO
CC[NH+](CC)[C@H](CNC(=O)NCC(=O)NCC#N)c1cccc(OC)c1	ZINC000519558265	539492140	/nfs/dbraw/zinc/49/21/40/539492140.db2.gz	JFOLXWPKPHYVKV-MRXNPFEDSA-N	1	0	361.446	1.017	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CSc1ccc(C#N)cc1	ZINC000264040133	179019405	/nfs/dbraw/zinc/01/94/05/179019405.db2.gz	PPNQSMJWDZFLKY-KRWDZBQOSA-N	1	0	374.510	1.709	20	30		FDEDRO
Cn1cc(N2CC[C@H]([NH2+]C3CCN(c4ccc(C#N)cc4)CC3)C2=O)cn1	ZINC000264738065	179184424	/nfs/dbraw/zinc/18/44/24/179184424.db2.gz	JOCKTZNTICBOCW-IBGZPJMESA-N	1	0	364.453	1.656	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000268120028	180001539	/nfs/dbraw/zinc/00/15/39/180001539.db2.gz	FTSWDKZGGWPTGU-WMLDXEAASA-N	1	0	354.458	1.268	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCC[C@H](Cn2ccnn2)C1	ZINC000528420458	539757956	/nfs/dbraw/zinc/75/79/56/539757956.db2.gz	KSEYUNSVSOMVQZ-INIZCTEOSA-N	1	0	363.421	1.290	20	30		FDEDRO
C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CC#CCN1C(=O)c2ccccc2C1=O	ZINC000528509300	539762868	/nfs/dbraw/zinc/76/28/68/539762868.db2.gz	ZVBBRSCNRXMWOJ-SJORKVTESA-N	1	0	351.450	1.845	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(C(=O)COc3ccccc3C#N)CC2)CC1	ZINC000269367190	180285324	/nfs/dbraw/zinc/28/53/24/180285324.db2.gz	KYMSUGCOUKYEFY-UHFFFAOYSA-N	1	0	370.497	1.954	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)c(F)c1	ZINC000269405945	180295929	/nfs/dbraw/zinc/29/59/29/180295929.db2.gz	HMRNWOQALVLXJP-UHFFFAOYSA-N	1	0	368.416	1.316	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1	ZINC000529331457	539821210	/nfs/dbraw/zinc/82/12/10/539821210.db2.gz	RVIHTEQXWJMRMN-SQNIBIBYSA-N	1	0	351.491	1.768	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]C1CCN(c2cccnn2)CC1	ZINC000530235109	539916426	/nfs/dbraw/zinc/91/64/26/539916426.db2.gz	VXFLKSUAHMWFBN-KRWDZBQOSA-N	1	0	353.426	1.347	20	30		FDEDRO
CN1C(=O)c2ccccc2[C@H]1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000530242016	539919831	/nfs/dbraw/zinc/91/98/31/539919831.db2.gz	GDXHEGRPKKGUCM-GOSISDBHSA-N	1	0	369.446	1.748	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CC(=O)N(c2ccccc2)C1	ZINC000530229788	539914773	/nfs/dbraw/zinc/91/47/73/539914773.db2.gz	AEOFZHMSCHUOKR-WMZOPIPTSA-N	1	0	351.406	1.693	20	30		FDEDRO
Cn1ncc(C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)c1C#N	ZINC000530286901	539932568	/nfs/dbraw/zinc/93/25/68/539932568.db2.gz	RGTKQNFBICZPMH-QGZVFWFLSA-N	1	0	352.442	1.010	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001087198508	781933091	/nfs/dbraw/zinc/93/30/91/781933091.db2.gz	OGXLXYARENSSNG-FHLIZLRMSA-N	1	0	354.454	1.411	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@H]3C[N@H+](C4CC4)C[C@H]3C)cc2C1=O	ZINC000531823559	540119391	/nfs/dbraw/zinc/11/93/91/540119391.db2.gz	ISIJUTGZACTIAX-PXAZEXFGSA-N	1	0	353.422	1.681	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cc(CC#N)ccn2)CC1=O	ZINC000532434305	540162895	/nfs/dbraw/zinc/16/28/95/540162895.db2.gz	VSLXMXBUEQNKHG-HZPDHXFCSA-N	1	0	355.442	1.419	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C)nn2CCC#N)C[C@H]1C	ZINC000532565400	540173869	/nfs/dbraw/zinc/17/38/69/540173869.db2.gz	ZHILEWVUNFXKMF-CABCVRRESA-N	1	0	360.462	1.375	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)C3(c4cccc(C#N)c4)CC3)C2)CC1	ZINC000533259285	540221496	/nfs/dbraw/zinc/22/14/96/540221496.db2.gz	NGJAJOMRFRGAJC-IBGZPJMESA-N	1	0	352.482	1.828	20	30		FDEDRO
CCO[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)[C@H]1OC	ZINC000275193144	181258669	/nfs/dbraw/zinc/25/86/69/181258669.db2.gz	FUGUCJBNACFEGI-GUDVDZBRSA-N	1	0	374.485	1.824	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)n(CCC#N)n1	ZINC000533319922	540231730	/nfs/dbraw/zinc/23/17/30/540231730.db2.gz	ZCLIQDIZNTUBDN-OAHLLOKOSA-N	1	0	374.489	1.672	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087198604	781934458	/nfs/dbraw/zinc/93/44/58/781934458.db2.gz	SANGUSVQCODJSD-JLSDUUJJSA-N	1	0	354.454	1.411	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)n(CCC#N)n1	ZINC000533457339	540250041	/nfs/dbraw/zinc/25/00/41/540250041.db2.gz	FTDMILHCKOESCA-AWEZNQCLSA-N	1	0	360.462	1.282	20	30		FDEDRO
C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000534100728	540323430	/nfs/dbraw/zinc/32/34/30/540323430.db2.gz	NGWKQMPTONEYFI-LLVKDONJSA-N	1	0	370.413	1.484	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC1(C#N)CC[NH+](C)CC1	ZINC000534971389	540433391	/nfs/dbraw/zinc/43/33/91/540433391.db2.gz	DLVFPCLZYPEPKS-UHFFFAOYSA-N	1	0	365.441	1.255	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1C#N	ZINC000535505268	540478857	/nfs/dbraw/zinc/47/88/57/540478857.db2.gz	ULSLTMYAXHLNDV-UHFFFAOYSA-N	1	0	368.357	1.470	20	30		FDEDRO
CS[C@H]1CN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C[C@@H]1[NH+](C)C	ZINC000536333500	540579915	/nfs/dbraw/zinc/57/99/15/540579915.db2.gz	MWESAFFXSIZMOP-HOTGVXAUSA-N	1	0	370.482	1.444	20	30		FDEDRO
CCC(CC)[N@H+](CCOC)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000537038626	540676623	/nfs/dbraw/zinc/67/66/23/540676623.db2.gz	WKPWXLVDKMJEET-GOSISDBHSA-N	1	0	352.523	1.816	20	30		FDEDRO
CC[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C1CCOCC1	ZINC000537223196	540703415	/nfs/dbraw/zinc/70/34/15/540703415.db2.gz	FRAAISOBJBBWJJ-MSOLQXFVSA-N	1	0	350.507	1.474	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)CC[N@H+](C)C1CCN(C)CC1	ZINC000538132916	540814026	/nfs/dbraw/zinc/81/40/26/540814026.db2.gz	FJMIOMUPCAIZRL-APWZRJJASA-N	1	0	351.539	1.387	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1CC[N@H+](Cc2ccccc2)[C@H](CCC)C1	ZINC000538320535	540841960	/nfs/dbraw/zinc/84/19/60/540841960.db2.gz	LGMONCRQEFQLDS-GOSISDBHSA-N	1	0	358.486	1.985	20	30		FDEDRO
C=CC[C@H](CO)CNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1	ZINC000539268627	540941277	/nfs/dbraw/zinc/94/12/77/540941277.db2.gz	SKYTWXDDUZMDRY-KRWDZBQOSA-N	1	0	359.470	1.564	20	30		FDEDRO
COc1cc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)ccc1OCCO	ZINC000540378347	541051627	/nfs/dbraw/zinc/05/16/27/541051627.db2.gz	GLWIQIWJFNCPJK-BFUOFWGJSA-N	1	0	361.442	1.525	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1	ZINC000269189414	674107507	/nfs/dbraw/zinc/10/75/07/674107507.db2.gz	JZRQSFBFFVXUSS-DZGCQCFKSA-N	1	0	351.472	1.269	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](CO)C2CCCCC2)CC1	ZINC000541056125	541143675	/nfs/dbraw/zinc/14/36/75/541143675.db2.gz	YHRAEDYATSITIA-ZWKOTPCHSA-N	1	0	350.507	1.210	20	30		FDEDRO
Cc1nn(-c2cc[nH+]cc2)cc1CN(CCC#N)CCN1CCOCC1	ZINC000541538386	541226092	/nfs/dbraw/zinc/22/60/92/541226092.db2.gz	PPGGWAYJAWVKCS-UHFFFAOYSA-N	1	0	354.458	1.624	20	30		FDEDRO
CC[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1c(C)nn(C)c1C	ZINC000541597899	541233910	/nfs/dbraw/zinc/23/39/10/541233910.db2.gz	PCTGEPFWTXPQFM-MSOLQXFVSA-N	1	0	374.533	1.770	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc2c(cn1)OCCO2	ZINC000570564612	549326374	/nfs/dbraw/zinc/32/63/74/549326374.db2.gz	WUDSXIHTJSCPLK-UHFFFAOYSA-N	1	0	366.421	1.928	20	30		FDEDRO
N#CCC1CC[NH+](CC(=O)NCc2ccccc2CN2CCOCC2)CC1	ZINC000541955491	541306655	/nfs/dbraw/zinc/30/66/55/541306655.db2.gz	ZNNTYIAICBLOJR-UHFFFAOYSA-N	1	0	370.497	1.761	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C[NH2+]CC2CC2)c1	ZINC000269257452	674108450	/nfs/dbraw/zinc/10/84/50/674108450.db2.gz	PJOAWUPMLJENNG-CAPFRKAQSA-N	1	0	364.471	1.438	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1	ZINC000543218129	541552996	/nfs/dbraw/zinc/55/29/96/541552996.db2.gz	NQKFOPIKLRWMNX-UKRRQHHQSA-N	1	0	374.441	1.121	20	30		FDEDRO
COc1ccc(CN2CCN(C(=O)C[NH+]3CCC(CC#N)CC3)CC2)cc1	ZINC000543807889	541665188	/nfs/dbraw/zinc/66/51/88/541665188.db2.gz	SQNWUPDRMJGCOP-UHFFFAOYSA-N	1	0	370.497	1.965	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCCC1	ZINC000544168071	541728027	/nfs/dbraw/zinc/72/80/27/541728027.db2.gz	AOKMEJMYSUKTJF-AWEZNQCLSA-N	1	0	374.441	1.122	20	30		FDEDRO
C[N@H+](CCNC(=O)N1CCN(c2cccc(C#N)n2)CC1)C1CCCC1	ZINC000544839298	541840582	/nfs/dbraw/zinc/84/05/82/541840582.db2.gz	UTQROECVBOHNPC-UHFFFAOYSA-N	1	0	356.474	1.659	20	30		FDEDRO
CC[N@H+](CCO)CCNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000283114716	182110895	/nfs/dbraw/zinc/11/08/95/182110895.db2.gz	XUXHFTNIRCSPQB-UHFFFAOYSA-N	1	0	360.336	1.893	20	30		FDEDRO
CC[NH+](CC)[C@H](CNC(=O)[C@H](C)n1cnc(C#N)n1)c1cccc(OC)c1	ZINC000545257461	541916018	/nfs/dbraw/zinc/91/60/18/541916018.db2.gz	VULGQIGWUGAOPQ-WMLDXEAASA-N	1	0	370.457	1.919	20	30		FDEDRO
Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000283824971	182284016	/nfs/dbraw/zinc/28/40/16/182284016.db2.gz	QKUKBXJFHWIMJV-INIZCTEOSA-N	1	0	352.442	1.512	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(C#N)cc1	ZINC000283848863	182292306	/nfs/dbraw/zinc/29/23/06/182292306.db2.gz	FRDQSSCUPYLWDN-TZUVLKIQSA-N	1	0	354.454	1.867	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000545295339	541928455	/nfs/dbraw/zinc/92/84/55/541928455.db2.gz	CRNDJDLBHIMGMK-QLFBSQMISA-N	1	0	372.469	1.988	20	30		FDEDRO
CC[NH+](CC)CCOCCNC(=O)N1CCN(c2ccccc2C#N)CC1	ZINC000545334576	541939645	/nfs/dbraw/zinc/93/96/45/541939645.db2.gz	HQVVEOIHPJEUTM-UHFFFAOYSA-N	1	0	373.501	1.748	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1	ZINC000545468806	541978035	/nfs/dbraw/zinc/97/80/35/541978035.db2.gz	QGWMHYOEXXVBCE-UHFFFAOYSA-N	1	0	356.474	1.659	20	30		FDEDRO
COC(=O)[C@]1(C(F)(F)F)CCN(CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000286554224	183095325	/nfs/dbraw/zinc/09/53/25/183095325.db2.gz	ORPIQYVAVALQDJ-INIZCTEOSA-N	1	0	369.343	1.602	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCCn1cnc(C#N)n1	ZINC000286706145	183131603	/nfs/dbraw/zinc/13/16/03/183131603.db2.gz	FDXCWXIZKWJTRS-INIZCTEOSA-N	1	0	367.457	1.456	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)n1	ZINC000286941997	183177457	/nfs/dbraw/zinc/17/74/57/183177457.db2.gz	LYPCUUXEYGBGFP-UHFFFAOYSA-N	1	0	367.457	1.635	20	30		FDEDRO
C[C@@H]1CCN(C(=O)NCCn2cnc(C#N)n2)CC[N@@H+]1Cc1ccccc1	ZINC000286923530	183173709	/nfs/dbraw/zinc/17/37/09/183173709.db2.gz	KQARRHBYLAVVSW-MRXNPFEDSA-N	1	0	367.457	1.456	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000546777677	542223912	/nfs/dbraw/zinc/22/39/12/542223912.db2.gz	SGCGKHZUQQGDRB-IRXDYDNUSA-N	1	0	368.547	1.358	20	30		FDEDRO
C[C@H](CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)C[NH+]1CCCC1	ZINC000291722121	183814255	/nfs/dbraw/zinc/81/42/55/183814255.db2.gz	WWIUJSIITIWVHT-WBVHZDCISA-N	1	0	357.458	1.848	20	30		FDEDRO
CN(CC[N@H+](C)Cc1ccc(C#N)s1)c1ccc(S(N)(=O)=O)cc1	ZINC000295020906	184027666	/nfs/dbraw/zinc/02/76/66/184027666.db2.gz	KOLRVVLBTJEDFL-UHFFFAOYSA-N	1	0	364.496	1.835	20	30		FDEDRO
Cc1nsc(NC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)c1C#N	ZINC000297424822	184269689	/nfs/dbraw/zinc/26/96/89/184269689.db2.gz	MTQNNPINNAJHPI-UHFFFAOYSA-N	1	0	371.470	1.792	20	30		FDEDRO
CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)Cc2cccc(C#N)c2)C1	ZINC000297733549	184318434	/nfs/dbraw/zinc/31/84/34/184318434.db2.gz	GYKQEKHCBYTJND-GOSISDBHSA-N	1	0	356.470	1.707	20	30		FDEDRO
CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2cccc(C#N)c2)C1	ZINC000297733553	184318541	/nfs/dbraw/zinc/31/85/41/184318541.db2.gz	GYKQEKHCBYTJND-SFHVURJKSA-N	1	0	356.470	1.707	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)[C@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1	ZINC000297795550	184330155	/nfs/dbraw/zinc/33/01/55/184330155.db2.gz	HPODHEJSWQNHTI-PBHICJAKSA-N	1	0	363.483	1.462	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1	ZINC000297837993	184339549	/nfs/dbraw/zinc/33/95/49/184339549.db2.gz	LTZBGRNLBBPZDJ-IBGZPJMESA-N	1	0	368.481	1.707	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2	ZINC000297889428	184350605	/nfs/dbraw/zinc/35/06/05/184350605.db2.gz	OKZWLVHTTMUFDR-HXUWFJFHSA-N	1	0	354.454	1.461	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2nnn(C)n2)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087200557	781972176	/nfs/dbraw/zinc/97/21/76/781972176.db2.gz	COKBHWHLWZYTBW-CJNGLKHVSA-N	1	0	353.430	1.112	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1	ZINC000547417530	542336043	/nfs/dbraw/zinc/33/60/43/542336043.db2.gz	QXRCHAGJLFFCMQ-AWEZNQCLSA-N	1	0	356.426	1.638	20	30		FDEDRO
C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ncn(C)n1	ZINC000548040479	542536629	/nfs/dbraw/zinc/53/66/29/542536629.db2.gz	ZCMJOPXQKKSCPD-OAHLLOKOSA-N	1	0	367.457	1.665	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1cc(S(C)(=O)=O)ccc1F	ZINC000270039534	674158242	/nfs/dbraw/zinc/15/82/42/674158242.db2.gz	JNJVBXDDMKUVHH-UHFFFAOYSA-N	1	0	355.435	1.537	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3cc(C#N)ccc3C)C2)CC1	ZINC000171648838	258266653	/nfs/dbraw/zinc/26/66/53/258266653.db2.gz	CMWHIEYCTQTWEE-KRWDZBQOSA-N	1	0	369.469	1.044	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1	ZINC000549869596	542957671	/nfs/dbraw/zinc/95/76/71/542957671.db2.gz	TZWZBTUOEDIXOP-UHFFFAOYSA-N	1	0	365.393	1.984	20	30		FDEDRO
C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000550197962	543035984	/nfs/dbraw/zinc/03/59/84/543035984.db2.gz	XVFNAXUWLCQVSD-OAGGEKHMSA-N	1	0	368.481	1.930	20	30		FDEDRO
C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)C[C@@H](C)C1	ZINC000551685198	543321729	/nfs/dbraw/zinc/32/17/29/543321729.db2.gz	YUBJZCKPTZBJDC-DCGLDWPTSA-N	1	0	358.417	1.825	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1	ZINC000551849157	543353315	/nfs/dbraw/zinc/35/33/15/543353315.db2.gz	RQKPTAZWGVBFET-ZBFHGGJFSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1	ZINC000552193305	543435536	/nfs/dbraw/zinc/43/55/36/543435536.db2.gz	CVVONSUUQYBMDH-UHFFFAOYSA-N	1	0	369.531	1.125	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1	ZINC000552520219	543479833	/nfs/dbraw/zinc/47/98/33/543479833.db2.gz	MSIZALMGGNKNPS-GDBMZVCRSA-N	1	0	351.516	1.497	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)n1	ZINC000091249283	172282168	/nfs/dbraw/zinc/28/21/68/172282168.db2.gz	RKYAUEUAQILDFW-DZGCQCFKSA-N	1	0	358.446	1.217	20	30		FDEDRO
CSC[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000135465534	173345967	/nfs/dbraw/zinc/34/59/67/173345967.db2.gz	UFOQPMWQCJKTRA-AWEZNQCLSA-N	1	0	363.487	1.331	20	30		FDEDRO
CC(C)C(=O)N1CCC([NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)CC1	ZINC000176715264	174084454	/nfs/dbraw/zinc/08/44/54/174084454.db2.gz	UMGNVVGIZMJEJN-OAHLLOKOSA-N	1	0	360.483	1.962	20	30		FDEDRO
C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1	ZINC000177496514	174136644	/nfs/dbraw/zinc/13/66/44/174136644.db2.gz	PBMHJSXJLCNHLD-SJORKVTESA-N	1	0	363.483	1.462	20	30		FDEDRO
Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2	ZINC000179989320	258360542	/nfs/dbraw/zinc/36/05/42/258360542.db2.gz	CRLAOQNGAMTUAS-RDJZCZTQSA-N	1	0	350.426	1.558	20	30		FDEDRO
CCC(=O)N1CC[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)C1	ZINC000178957811	258340803	/nfs/dbraw/zinc/34/08/03/258340803.db2.gz	ADOPXTPUQUVQQM-GOSISDBHSA-N	1	0	356.470	1.707	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)C[C@@H]2c2cccnc2)CC1	ZINC000553325631	543609404	/nfs/dbraw/zinc/60/94/04/543609404.db2.gz	UIYXGBIONBXVMS-CRAIPNDOSA-N	1	0	356.470	1.758	20	30		FDEDRO
COc1cc(OC)c2ncc(C#N)c(NC[C@H]3CN4CCN3CC4)c2c1	ZINC000553506606	543649026	/nfs/dbraw/zinc/64/90/26/543649026.db2.gz	LGTDOBYANJHDMC-AWEZNQCLSA-N	1	0	353.426	1.535	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2ccncc2CC)CC1	ZINC000553710784	543685639	/nfs/dbraw/zinc/68/56/39/543685639.db2.gz	DKBDECXGBLTECE-HNNXBMFYSA-N	1	0	358.486	1.978	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCCn1cnc(C#N)n1	ZINC000553953949	543723497	/nfs/dbraw/zinc/72/34/97/543723497.db2.gz	XOPUFJZMSWXVIJ-JKSUJKDBSA-N	1	0	367.457	1.454	20	30		FDEDRO
C=CCOc1ccc(CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1	ZINC000553869421	543708065	/nfs/dbraw/zinc/70/80/65/543708065.db2.gz	LYFPVQVRCWOKRE-KRWDZBQOSA-N	1	0	374.485	1.638	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)N1CCN(c2cnccn2)CC1)c1ccc(C#N)cc1	ZINC000554848905	543880688	/nfs/dbraw/zinc/88/06/88/543880688.db2.gz	SBUOAZLHEGLGQT-OAHLLOKOSA-N	1	0	350.426	1.348	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N2CCN(c3cnccc3C#N)CC2)C[N@@H+]1C1CC1	ZINC000555560349	543974108	/nfs/dbraw/zinc/97/41/08/543974108.db2.gz	YLJILBRCSVJTFH-ZBFHGGJFSA-N	1	0	354.458	1.410	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)N2CCN(c3cnccc3C#N)CC2)C[N@@H+]1C1CC1	ZINC000555560348	543974214	/nfs/dbraw/zinc/97/42/14/543974214.db2.gz	YLJILBRCSVJTFH-HOCLYGCPSA-N	1	0	354.458	1.410	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@H](C)C(=O)NCC[NH+]1CCCCC1	ZINC000555535712	543967798	/nfs/dbraw/zinc/96/77/98/543967798.db2.gz	ZPYLFCUEOIABTM-MRXNPFEDSA-N	1	0	359.470	1.972	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(S(=O)(=O)NC)CC1	ZINC000555612342	543986986	/nfs/dbraw/zinc/98/69/86/543986986.db2.gz	XMLYPIDKDBBHDV-MRXNPFEDSA-N	1	0	368.499	1.168	20	30		FDEDRO
CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)N1CCC(C#N)CC1	ZINC000555973677	544067104	/nfs/dbraw/zinc/06/71/04/544067104.db2.gz	XGKNBZXDHHLWRG-UHFFFAOYSA-N	1	0	356.470	1.905	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NCc2cccc(C#N)c2)CC1	ZINC000556037027	544079187	/nfs/dbraw/zinc/07/91/87/544079187.db2.gz	FABVQHDMANEFMR-UHFFFAOYSA-N	1	0	372.469	1.180	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)c1ccc(C#N)cc1	ZINC000556037662	544079495	/nfs/dbraw/zinc/07/94/95/544079495.db2.gz	HMDHLYCEYNNDAZ-MAUKXSAKSA-N	1	0	372.469	1.305	20	30		FDEDRO
N#Cc1ccsc1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000556160210	544107815	/nfs/dbraw/zinc/10/78/15/544107815.db2.gz	ZBGAFXUVFLDYDO-KGLIPLIRSA-N	1	0	362.455	1.052	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1	ZINC000557016542	544235236	/nfs/dbraw/zinc/23/52/36/544235236.db2.gz	AMYHXWJOTGBXRL-MRXNPFEDSA-N	1	0	353.532	1.935	20	30		FDEDRO
C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NC1CCC(Oc2ncccc2C#N)CC1	ZINC000557205510	544262763	/nfs/dbraw/zinc/26/27/63/544262763.db2.gz	YMASVFKCOZPFDK-LYAPFXNSSA-N	1	0	357.458	1.940	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1	ZINC000558210778	544400145	/nfs/dbraw/zinc/40/01/45/544400145.db2.gz	PEOFWRUXOZDFAN-CRAIPNDOSA-N	1	0	356.470	1.894	20	30		FDEDRO
CC(=O)NCC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CCSCC1	ZINC000558864129	544544421	/nfs/dbraw/zinc/54/44/21/544544421.db2.gz	NJSPOKYUBKWPHY-KRWDZBQOSA-N	1	0	352.504	1.129	20	30		FDEDRO
CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1cccc(C#N)c1	ZINC000559723252	544774909	/nfs/dbraw/zinc/77/49/09/544774909.db2.gz	IEHXJRJGHSAGBU-GOSISDBHSA-N	1	0	356.470	1.945	20	30		FDEDRO
C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)C[C@@H](C)C1	ZINC000560151983	544898380	/nfs/dbraw/zinc/89/83/80/544898380.db2.gz	QAEUJWUWMGYPKV-DAYGRLMNSA-N	1	0	366.465	1.636	20	30		FDEDRO
CS[C@@H]1CN([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@@H]1[NH+](C)C	ZINC000299728028	259019731	/nfs/dbraw/zinc/01/97/31/259019731.db2.gz	VPNCMVSTZQRQQA-HZSPNIEDSA-N	1	0	350.513	1.702	20	30		FDEDRO
Cn1c(NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(C#N)c(=O)n(C)c1=O	ZINC000301428394	259027635	/nfs/dbraw/zinc/02/76/35/259027635.db2.gz	PRRDLNSYCPYRBU-IUODEOHRSA-N	1	0	373.482	1.512	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)nn1	ZINC000302015661	259037695	/nfs/dbraw/zinc/03/76/95/259037695.db2.gz	YHPQNBLNZHXBJV-KRWDZBQOSA-N	1	0	363.469	1.782	20	30		FDEDRO
CC(C)[N@@H+]1CCO[C@H](CN2CCN(c3c(C#N)cccc3C#N)CC2)C1	ZINC000302885468	259047217	/nfs/dbraw/zinc/04/72/17/259047217.db2.gz	MISODLZELHIEHD-LJQANCHMSA-N	1	0	353.470	1.661	20	30		FDEDRO
N#Cc1ccccc1N1CCC[N@@H+]([C@@H]2CCN(C3CCOCC3)C2=O)CC1	ZINC000330012555	259122232	/nfs/dbraw/zinc/12/22/32/259122232.db2.gz	KTHOLQWSHGKHDR-HXUWFJFHSA-N	1	0	368.481	1.850	20	30		FDEDRO
C[N@H+](CCO)C1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1	ZINC000330658082	259156438	/nfs/dbraw/zinc/15/64/38/259156438.db2.gz	QBQODOQZKCJTSV-UHFFFAOYSA-N	1	0	357.863	1.289	20	30		FDEDRO
C[C@H]1CN(Cc2nnc(-c3cccc(C#N)c3)o2)CC[N@@H+]1CC(C)(C)O	ZINC000331299753	259186507	/nfs/dbraw/zinc/18/65/07/259186507.db2.gz	QJMVBAKRRAMVES-AWEZNQCLSA-N	1	0	355.442	1.885	20	30		FDEDRO
C[NH+](C)C[C@H]1CN(C(=O)c2cccc(C#N)c2Br)CCO1	ZINC000331332574	259187886	/nfs/dbraw/zinc/18/78/86/259187886.db2.gz	SIPXSPGTQHKSCW-LBPRGKRZSA-N	1	0	352.232	1.723	20	30		FDEDRO
CC(C)(C)c1csc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1C#N	ZINC000331775212	259219012	/nfs/dbraw/zinc/21/90/12/259219012.db2.gz	GIYDTNLDGIOLML-NWDGAFQWSA-N	1	0	360.483	1.924	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1	ZINC000333405189	259344871	/nfs/dbraw/zinc/34/48/71/259344871.db2.gz	ZEQDZEHBDQQTDK-UHFFFAOYSA-N	1	0	362.437	1.953	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CCCC[NH2+]C3)CC2)cc1	ZINC000333467879	259350970	/nfs/dbraw/zinc/35/09/70/259350970.db2.gz	AKRZYZWDYRAIAE-IBGZPJMESA-N	1	0	355.486	1.918	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CCCC[NH2+]C3)C2=O)cc1	ZINC000333536887	259357749	/nfs/dbraw/zinc/35/77/49/259357749.db2.gz	ISINEYIQKIIADH-WBVHZDCISA-N	1	0	355.442	1.495	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)C2=O)cc1	ZINC000333554256	259359443	/nfs/dbraw/zinc/35/94/43/259359443.db2.gz	KPAPRYICYUJCIJ-JZXOWHBKSA-N	1	0	367.453	1.305	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)C2=O)cc1	ZINC000333599130	259362563	/nfs/dbraw/zinc/36/25/63/259362563.db2.gz	PIYIYJTXAVAGPE-MLHJIOFPSA-N	1	0	367.453	1.038	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1C#N	ZINC000333735822	259375687	/nfs/dbraw/zinc/37/56/87/259375687.db2.gz	WXJQIIIYKOTPHZ-RDJZCZTQSA-N	1	0	363.483	1.774	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000362412761	259493138	/nfs/dbraw/zinc/49/31/38/259493138.db2.gz	IDSAQUBUSCSMIF-VQIMIIECSA-N	1	0	355.486	1.726	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)[C@H]2C1	ZINC000364024462	259703463	/nfs/dbraw/zinc/70/34/63/259703463.db2.gz	ZAJRYXMPRBMXAF-CJNGLKHVSA-N	1	0	351.414	1.697	20	30		FDEDRO
N#Cc1ncn(C2CC[NH+](C[C@H]3CCN(C(=O)c4ccccc4)C3)CC2)n1	ZINC000368476698	260189040	/nfs/dbraw/zinc/18/90/40/260189040.db2.gz	FUAWUPNSSSGSIV-MRXNPFEDSA-N	1	0	364.453	1.949	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)cc1	ZINC000368712511	260225686	/nfs/dbraw/zinc/22/56/86/260225686.db2.gz	OGIYBDCZPGPYOI-NRFANRHFSA-N	1	0	360.417	1.770	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccc(C#N)s3)CC2)C1	ZINC000369174148	260307114	/nfs/dbraw/zinc/30/71/14/260307114.db2.gz	MBOAGCOMVJLYCU-CYBMUJFWSA-N	1	0	354.501	1.020	20	30		FDEDRO
C[NH+]1CCC(N2CC[C@@H](NC(=O)CSc3ccc(C#N)cc3)C2)CC1	ZINC000369268782	260327231	/nfs/dbraw/zinc/32/72/31/260327231.db2.gz	UQZHMJCPFDJGJU-MRXNPFEDSA-N	1	0	358.511	1.935	20	30		FDEDRO
C[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc(C#N)nc2)[C@H]1c1cccs1	ZINC000369539981	260386980	/nfs/dbraw/zinc/38/69/80/260386980.db2.gz	LGXBINRGOQSLQG-WBMJQRKESA-N	1	0	362.480	1.986	20	30		FDEDRO
COC(=O)[C@@H](C)Oc1ccc(C[NH+]2CCC(n3cnc(C#N)n3)CC2)cc1	ZINC000373491359	261014749	/nfs/dbraw/zinc/01/47/49/261014749.db2.gz	VCCJIDIHKFZNOK-CQSZACIVSA-N	1	0	369.425	1.927	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)cc1Cl	ZINC000373968070	261059205	/nfs/dbraw/zinc/05/92/05/261059205.db2.gz	JOLDXEGBTVRZJL-HUUCEWRRSA-N	1	0	362.817	1.130	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)NCCc3cccc(C#N)c3)C2)CC1	ZINC000374266559	261102600	/nfs/dbraw/zinc/10/26/00/261102600.db2.gz	XSNGSUCRBCWWSE-IBGZPJMESA-N	1	0	355.486	1.522	20	30		FDEDRO
C[C@H]1CN(C(=O)c2c(F)cc(C#N)cc2F)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000374315891	261108998	/nfs/dbraw/zinc/10/89/98/261108998.db2.gz	GJKNSFZDESUDML-SUMWQHHRSA-N	1	0	362.424	1.934	20	30		FDEDRO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1	ZINC000375483457	261350142	/nfs/dbraw/zinc/35/01/42/261350142.db2.gz	VZPULRZOUOPHBI-MNEFBYGVSA-N	1	0	368.481	1.894	20	30		FDEDRO
C[C@@H](C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)n1cnc(C#N)n1	ZINC000409783730	262139677	/nfs/dbraw/zinc/13/96/77/262139677.db2.gz	CACSOKUQSSDXPC-RDJZCZTQSA-N	1	0	352.442	1.834	20	30		FDEDRO
C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)n1cnc(C#N)n1	ZINC000409844631	262142113	/nfs/dbraw/zinc/14/21/13/262142113.db2.gz	VEBIKKXNOWITRR-LBPRGKRZSA-N	1	0	362.384	1.579	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)C1	ZINC000972086114	782045741	/nfs/dbraw/zinc/04/57/41/782045741.db2.gz	IIEMAODXZUNLNA-GUDVDZBRSA-N	1	0	357.498	1.437	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCCC2)nn1CCC#N	ZINC000477855860	489994153	/nfs/dbraw/zinc/99/41/53/489994153.db2.gz	HZXINIJJUMRLFR-CQSZACIVSA-N	1	0	360.462	1.424	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2nnn(-c3ccccc3)c2C)c1C#N	ZINC000536304760	490566904	/nfs/dbraw/zinc/56/69/04/490566904.db2.gz	FKHGZYAASLDVSD-UHFFFAOYSA-N	1	0	364.413	1.575	20	30		FDEDRO
CCC[NH+]1CCC(CNC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)CC1	ZINC000504023652	490785676	/nfs/dbraw/zinc/78/56/76/490785676.db2.gz	KBRLMWSZKAMCSN-UHFFFAOYSA-N	1	0	360.462	1.282	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)nn1CCC#N	ZINC000504062587	490787554	/nfs/dbraw/zinc/78/75/54/490787554.db2.gz	WSYWTNFNFUYXEM-OKILXGFUSA-N	1	0	360.462	1.423	20	30		FDEDRO
CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000615313894	492085645	/nfs/dbraw/zinc/08/56/45/492085645.db2.gz	XNGIHXNMIIMAFP-AWEZNQCLSA-N	1	0	360.462	1.439	20	30		FDEDRO
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)n1	ZINC000611358885	492286355	/nfs/dbraw/zinc/28/63/55/492286355.db2.gz	DREBASLLQDRFRX-UHFFFAOYSA-N	1	0	358.446	1.191	20	30		FDEDRO
Cn1cc(C#N)c(NC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)n1	ZINC000611621341	492291457	/nfs/dbraw/zinc/29/14/57/492291457.db2.gz	RZAYPUXTRQVEJK-INIZCTEOSA-N	1	0	354.414	1.180	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H]([NH2+][C@H]2CCCN(c3ccncn3)C2)C1=O	ZINC000365920008	518196734	/nfs/dbraw/zinc/19/67/34/518196734.db2.gz	CZGWBISJJTWQDI-GJZGRUSLSA-N	1	0	368.466	1.774	20	30		FDEDRO
C[N@H+](CCC(=O)N1CCN(c2ncccn2)CC1)Cc1cccc(C#N)c1	ZINC000026331420	519116161	/nfs/dbraw/zinc/11/61/61/519116161.db2.gz	WWUBXQCLSOSIHG-UHFFFAOYSA-N	1	0	364.453	1.519	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)c1	ZINC000027746915	519195380	/nfs/dbraw/zinc/19/53/80/519195380.db2.gz	HZAKJVDPWVCSEK-HNNXBMFYSA-N	1	0	365.499	1.755	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1	ZINC000028933475	519258134	/nfs/dbraw/zinc/25/81/34/519258134.db2.gz	JVHORMCPPRRFIM-UHFFFAOYSA-N	1	0	354.458	1.751	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H](CN(C)C([O-])=[NH+]CCn2cccn2)[C@@H]1c1cnn(C)c1	ZINC000328616644	521615086	/nfs/dbraw/zinc/61/50/86/521615086.db2.gz	BXICEFJPAWDUSC-FUHWJXTLSA-N	1	0	373.505	1.936	20	30		FDEDRO
C[NH+]1CCN(C[C@H](NS(=O)(=O)CCCCC#N)c2ccccc2)CC1	ZINC000068912324	521758280	/nfs/dbraw/zinc/75/82/80/521758280.db2.gz	KPIYBBQKPAKATL-SFHVURJKSA-N	1	0	364.515	1.588	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000069122857	521811977	/nfs/dbraw/zinc/81/19/77/521811977.db2.gz	LPEDWBFMJFFOOF-GJZGRUSLSA-N	1	0	358.442	1.421	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1	ZINC000043609760	521876242	/nfs/dbraw/zinc/87/62/42/521876242.db2.gz	DYSIQKNSVODUHL-CABCVRRESA-N	1	0	358.442	1.737	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000069741752	521945732	/nfs/dbraw/zinc/94/57/32/521945732.db2.gz	PNGUQTYKRUZTKI-WMZOPIPTSA-N	1	0	357.454	1.896	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1	ZINC000057065913	521994850	/nfs/dbraw/zinc/99/48/50/521994850.db2.gz	JIRXBFVGIYVWOU-KRWDZBQOSA-N	1	0	370.497	1.812	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH+](CCOC)CCOC)c(OC)c1	ZINC000046345572	522279916	/nfs/dbraw/zinc/27/99/16/522279916.db2.gz	MEFVPOZRAIXPHJ-QGZVFWFLSA-N	1	0	353.459	1.758	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NCC[N@@H+](C)C2CC2)ccc1F	ZINC000058856956	522306485	/nfs/dbraw/zinc/30/64/85/522306485.db2.gz	QUXHDFOSEJNVFL-UHFFFAOYSA-N	1	0	355.435	1.114	20	30		FDEDRO
CC1CCC(NC(=O)CN2CC[NH+](CCCSCC#N)CC2)CC1	ZINC000072515860	522312706	/nfs/dbraw/zinc/31/27/06/522312706.db2.gz	QYHPHRXRAXSQAF-UHFFFAOYSA-N	1	0	352.548	1.946	20	30		FDEDRO
CCCCCNC(=O)CO[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1	ZINC000072921441	522426978	/nfs/dbraw/zinc/42/69/78/522426978.db2.gz	LZKQZKWKPXANTC-UHFFFAOYSA-N	1	0	362.474	1.591	20	30		FDEDRO
C=CCNC(=O)CN1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1	ZINC000073395225	522520999	/nfs/dbraw/zinc/52/09/99/522520999.db2.gz	OLMDRASFBVQDBS-UHFFFAOYSA-N	1	0	370.497	1.342	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000073543535	522543214	/nfs/dbraw/zinc/54/32/14/522543214.db2.gz	QOLXTLOPIPHXSH-KBPBESRZSA-N	1	0	374.485	1.412	20	30		FDEDRO
C=CCNC(N[C@@H]1CCOc2ccccc21)=[NH+]C[C@@H]1CCS(=O)(=O)C1	ZINC000073807127	522610536	/nfs/dbraw/zinc/61/05/36/522610536.db2.gz	SKQJICXHCMOISE-GOEBONIOSA-N	1	0	363.483	1.666	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](C2CC2)[NH+](C)C)c1	ZINC000047922842	522623601	/nfs/dbraw/zinc/62/36/01/522623601.db2.gz	TXYQEMSJKWAMCR-MRXNPFEDSA-N	1	0	351.472	1.221	20	30		FDEDRO
C[NH+](C)CC(=O)N1CCN(C(=O)CSCc2ccc(C#N)cc2)CC1	ZINC000048189392	522687828	/nfs/dbraw/zinc/68/78/28/522687828.db2.gz	WXMHQMXQXMYAHB-UHFFFAOYSA-N	1	0	360.483	1.024	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(CCC#N)CCC[NH+](C)C	ZINC000064361537	522708078	/nfs/dbraw/zinc/70/80/78/522708078.db2.gz	OACUGOKTDIRBFK-UHFFFAOYSA-N	1	0	357.458	1.490	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1	ZINC000050090566	522882647	/nfs/dbraw/zinc/88/26/47/522882647.db2.gz	RXIBNHJFMOBOGN-UHFFFAOYSA-N	1	0	373.457	1.489	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1	ZINC000050166617	522895280	/nfs/dbraw/zinc/89/52/80/522895280.db2.gz	MLTLIZNHAOSWTE-UHFFFAOYSA-N	1	0	366.421	1.883	20	30		FDEDRO
C[C@@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C[NH+]1CCCC1	ZINC000066240719	522994969	/nfs/dbraw/zinc/99/49/69/522994969.db2.gz	KYWBFFXQRKCRBP-AWEZNQCLSA-N	1	0	352.442	1.788	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)c1	ZINC000051851454	523088430	/nfs/dbraw/zinc/08/84/30/523088430.db2.gz	ATPOSSFKWFYBFF-UHFFFAOYSA-N	1	0	368.481	1.281	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH+]1CCC(C(=O)NCc2ccccc2)CC1	ZINC000051955190	523097633	/nfs/dbraw/zinc/09/76/33/523097633.db2.gz	QPHSILKYTJYXLJ-UHFFFAOYSA-N	1	0	356.470	1.777	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCC(C[NH+]2CCOCC2)CC1	ZINC000051958284	523098470	/nfs/dbraw/zinc/09/84/70/523098470.db2.gz	GESLWBQKXHWTCE-QFBILLFUSA-N	1	0	350.507	1.474	20	30		FDEDRO
CCO[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1	ZINC000076401389	523102268	/nfs/dbraw/zinc/10/22/68/523102268.db2.gz	LTZPBVDWUJRINU-OAHLLOKOSA-N	1	0	361.446	1.004	20	30		FDEDRO
CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000076601954	523145642	/nfs/dbraw/zinc/14/56/42/523145642.db2.gz	AYSWELCXGZFPAW-NSHDSACASA-N	1	0	368.384	1.945	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCC[N@@H+](C)C(C)C)cc1	ZINC000052679941	523239026	/nfs/dbraw/zinc/23/90/26/523239026.db2.gz	TUMPDUXLVPHUJH-UHFFFAOYSA-N	1	0	360.458	1.387	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(C(=O)NCc2ccccc2)CC1	ZINC000052685165	523241857	/nfs/dbraw/zinc/24/18/57/523241857.db2.gz	YCCHQHBHOOWNDO-MRXNPFEDSA-N	1	0	356.470	1.775	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1	ZINC000052690527	523244639	/nfs/dbraw/zinc/24/46/39/523244639.db2.gz	GBDVPVVTFTZGAM-DLBZAZTESA-N	1	0	370.453	1.284	20	30		FDEDRO
CCn1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cn1	ZINC000066914826	523260755	/nfs/dbraw/zinc/26/07/55/523260755.db2.gz	RGEXZBOXNZDJTR-UHFFFAOYSA-N	1	0	361.471	1.527	20	30		FDEDRO
C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000077542402	523380305	/nfs/dbraw/zinc/38/03/05/523380305.db2.gz	SCRCUMLOFGGALO-HNNXBMFYSA-N	1	0	362.405	1.205	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NCC[NH+]2CCCCCC2)c1	ZINC000077608139	523393195	/nfs/dbraw/zinc/39/31/95/523393195.db2.gz	QPRCENILNMOVFR-UHFFFAOYSA-N	1	0	365.499	1.757	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NCC[N@H+]2CCCC[C@H]2C)c1	ZINC000077608662	523394304	/nfs/dbraw/zinc/39/43/04/523394304.db2.gz	XOZOMFAZGCSFDB-OAHLLOKOSA-N	1	0	365.499	1.755	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)C(=O)Nc1ncn(Cc2ccccc2)n1	ZINC000077682201	523411030	/nfs/dbraw/zinc/41/10/30/523411030.db2.gz	JVQXKFAIMMZUPW-UHFFFAOYSA-N	1	0	358.446	1.763	20	30		FDEDRO
CC[N@H+](CCNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)C1CC1	ZINC000067419995	523440814	/nfs/dbraw/zinc/44/08/14/523440814.db2.gz	FRKCXUXVJSDABZ-UHFFFAOYSA-N	1	0	356.474	1.706	20	30		FDEDRO
CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ncn(Cc2ccccc2)n1	ZINC000077770278	523457997	/nfs/dbraw/zinc/45/79/97/523457997.db2.gz	VVEQAWJWWJYPQK-CQSZACIVSA-N	1	0	358.446	1.761	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)C(=O)CCC3)CC1	ZINC000078253210	523542866	/nfs/dbraw/zinc/54/28/66/523542866.db2.gz	ASRJYPOCSHONGM-UHFFFAOYSA-N	1	0	355.438	1.911	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)[NH+]1CCC(C)CC1	ZINC000067705897	523552986	/nfs/dbraw/zinc/55/29/86/523552986.db2.gz	VXUPOKTYZIRCRA-KRWDZBQOSA-N	1	0	370.501	1.905	20	30		FDEDRO
N#Cc1cc(S(N)(=O)=O)ccc1NC1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000078292684	523553455	/nfs/dbraw/zinc/55/34/55/523553455.db2.gz	YBAGBOPXRBBYKH-CYBMUJFWSA-N	1	0	364.471	1.118	20	30		FDEDRO
CCn1nc2c(cc1=O)C[N@@H+](C[C@@H](O)COc1ccc(CC#N)cc1)CC2	ZINC000078613275	523614499	/nfs/dbraw/zinc/61/44/99/523614499.db2.gz	KCUDQHYRRYAZER-QGZVFWFLSA-N	1	0	368.437	1.127	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCc2c[nH]nc2C1	ZINC000079609443	523772405	/nfs/dbraw/zinc/77/24/05/523772405.db2.gz	RAILKNKJODXWLS-QGZVFWFLSA-N	1	0	351.454	1.977	20	30		FDEDRO
Cc1ccc(NC(=O)C2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)nc1	ZINC000079895573	523803460	/nfs/dbraw/zinc/80/34/60/523803460.db2.gz	RVJOFKIRDJSJTL-HNNXBMFYSA-N	1	0	357.458	1.801	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1	ZINC000081059973	523937112	/nfs/dbraw/zinc/93/71/12/523937112.db2.gz	ZNGGWGIGUNRNIC-UHFFFAOYSA-N	1	0	353.382	1.619	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1	ZINC000110609491	524108918	/nfs/dbraw/zinc/10/89/18/524108918.db2.gz	GPTVFNGJEFTCMI-OAHLLOKOSA-N	1	0	364.471	1.011	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)CC1	ZINC000111124890	524203341	/nfs/dbraw/zinc/20/33/41/524203341.db2.gz	JIJXKYVOQWFGHU-NRFANRHFSA-N	1	0	369.509	1.391	20	30		FDEDRO
CCN(CCC#N)C(=O)CNc1ccc(N2CCCCC2)cc1C(N)=O	ZINC000121318117	524219952	/nfs/dbraw/zinc/21/99/52/524219952.db2.gz	JSYXHSUIQBUPTK-UHFFFAOYSA-N	1	0	357.458	1.950	20	30		FDEDRO
CC(C)(C)C[N@H+](CCC#N)CCC(=O)N1CCN(c2ncccn2)CC1	ZINC000157237790	524237831	/nfs/dbraw/zinc/23/78/31/524237831.db2.gz	HPCLAXRSXBYVEH-UHFFFAOYSA-N	1	0	358.490	1.777	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1	ZINC000137515221	524241229	/nfs/dbraw/zinc/24/12/29/524241229.db2.gz	FRWNMLGQRDDLBK-SFHVURJKSA-N	1	0	369.465	1.395	20	30		FDEDRO
C[NH+]=C(NCC(=O)Nc1ccc(F)c(F)c1F)NCc1ccnn1C	ZINC000083858626	524278808	/nfs/dbraw/zinc/27/88/08/524278808.db2.gz	RCOKRJDHHSAKKG-UHFFFAOYSA-N	1	0	354.336	1.141	20	30		FDEDRO
C[NH+]=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)N[C@H]1C[C@H]1C	ZINC000083906011	524278889	/nfs/dbraw/zinc/27/88/89/524278889.db2.gz	FHXCEYFZGPKCOK-PBHICJAKSA-N	1	0	364.515	1.661	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CCC(=O)Nc2cccc(C#N)c2)CC1	ZINC000141652272	524337194	/nfs/dbraw/zinc/33/71/94/524337194.db2.gz	STCPZPJZRMAASH-GOSISDBHSA-N	1	0	369.469	1.125	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(NC(=O)C3CC3)c2)CC1	ZINC000173271801	524359898	/nfs/dbraw/zinc/35/98/98/524359898.db2.gz	CXDLIHREYJTRER-UHFFFAOYSA-N	1	0	370.453	1.740	20	30		FDEDRO
CN1CC[NH+]([C@@H]2CCCCN(C(=O)COc3ccccc3C#N)C2)CC1	ZINC000173279753	524363683	/nfs/dbraw/zinc/36/36/83/524363683.db2.gz	MWIUYPTUQLJVQV-GOSISDBHSA-N	1	0	356.470	1.566	20	30		FDEDRO
CC1CC[NH+](CCNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1	ZINC000157923620	524368486	/nfs/dbraw/zinc/36/84/86/524368486.db2.gz	CPHKXLJZJXYRQX-INIZCTEOSA-N	1	0	371.489	1.300	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc2nccnc2c1	ZINC000122131805	524457246	/nfs/dbraw/zinc/45/72/46/524457246.db2.gz	NHXZPPRHRJRATE-UHFFFAOYSA-N	1	0	354.414	1.262	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1	ZINC000122256147	524492677	/nfs/dbraw/zinc/49/26/77/524492677.db2.gz	PPAVHDSTOTZQOS-BBRMVZONSA-N	1	0	351.472	1.493	20	30		FDEDRO
CC[NH+]=C(NC[C@@H](O)c1ccccc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158583156	524493488	/nfs/dbraw/zinc/49/34/88/524493488.db2.gz	YOSGLGIJKKQLIP-OAHLLOKOSA-N	1	0	353.488	1.195	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)COc1ccc(C#N)cc1	ZINC000150845976	524496459	/nfs/dbraw/zinc/49/64/59/524496459.db2.gz	UHGLBZBRGFPHSM-UHFFFAOYSA-N	1	0	352.394	1.736	20	30		FDEDRO
C[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)c1nc(-c2ccccc2)no1	ZINC000089595503	524513420	/nfs/dbraw/zinc/51/34/20/524513420.db2.gz	AORDCHGXWFPBMC-HNNXBMFYSA-N	1	0	372.473	1.467	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cnn(-c3ccccc3)c2)c1C#N	ZINC000089676657	524519890	/nfs/dbraw/zinc/51/98/90/524519890.db2.gz	HZANZAOMJCJYMD-UHFFFAOYSA-N	1	0	363.425	1.800	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cc(OC)ccc2OC)c1C#N	ZINC000089675975	524520418	/nfs/dbraw/zinc/52/04/18/524520418.db2.gz	ZEJWHKYTIUZJED-UHFFFAOYSA-N	1	0	357.414	1.632	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CN(C)C(=O)c2cccs2)c1C#N	ZINC000089676016	524520479	/nfs/dbraw/zinc/52/04/79/524520479.db2.gz	XELRYTKHSFJJCG-UHFFFAOYSA-N	1	0	360.443	1.206	20	30		FDEDRO
C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CCN1CCCC1=O	ZINC000112703904	524542790	/nfs/dbraw/zinc/54/27/90/524542790.db2.gz	KZIMKDIWVWKLOG-UHFFFAOYSA-N	1	0	360.483	1.991	20	30		FDEDRO
C[NH+]=C(NCC[S@@](=O)C(C)(C)C)N1CCN(c2cccs2)CC1	ZINC000158913370	524551705	/nfs/dbraw/zinc/55/17/05/524551705.db2.gz	UJIAOCRRGOOTPM-QHCPKHFHSA-N	1	0	356.561	1.993	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)N(Cc1ccccc1)C1CC1	ZINC000089943116	524556626	/nfs/dbraw/zinc/55/66/26/524556626.db2.gz	NMWALVGJHWDEGD-UHFFFAOYSA-N	1	0	366.469	1.919	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)[C@H](C(=O)NC1CC1)c1ccc(F)cc1	ZINC000089943386	524557475	/nfs/dbraw/zinc/55/74/75/524557475.db2.gz	HJZIRZFAAISCFY-KRWDZBQOSA-N	1	0	370.432	1.887	20	30		FDEDRO
CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000122601595	524573710	/nfs/dbraw/zinc/57/37/10/524573710.db2.gz	SVNRRAXZBRJZSB-ZDUSSCGKSA-N	1	0	366.443	1.961	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(S(N)(=O)=O)o1)C(C)C	ZINC000112919821	524595423	/nfs/dbraw/zinc/59/54/23/524595423.db2.gz	KLOMQDRSDTVXAG-CYBMUJFWSA-N	1	0	355.460	1.355	20	30		FDEDRO
C=CCOc1ccc(C[NH2+]C[C@@](C)(O)CN2CCOCC2)cc1OC	ZINC000174489323	524601404	/nfs/dbraw/zinc/60/14/04/524601404.db2.gz	NYLNQRZLZZDHAP-LJQANCHMSA-N	1	0	350.459	1.433	20	30		FDEDRO
CCCCCCNC(=[NH2+])NCCOc1ccc(NS(C)(=O)=O)cc1	ZINC000090989673	524618169	/nfs/dbraw/zinc/61/81/69/524618169.db2.gz	YGJRHUZODZENLO-UHFFFAOYSA-N	1	0	356.492	1.922	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)n1	ZINC000091209361	524662171	/nfs/dbraw/zinc/66/21/71/524662171.db2.gz	PDVFJHZIXPBHPV-AWEZNQCLSA-N	1	0	360.462	1.512	20	30		FDEDRO
CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000151712982	524662440	/nfs/dbraw/zinc/66/24/40/524662440.db2.gz	DRGAYVRYYWXMOF-QGZVFWFLSA-N	1	0	374.485	1.899	20	30		FDEDRO
C[N@H+](CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)C1CCCCC1	ZINC000091229114	524670403	/nfs/dbraw/zinc/67/04/03/524670403.db2.gz	RADZVJBJMCHHBL-UHFFFAOYSA-N	1	0	374.489	1.829	20	30		FDEDRO
C#CCOc1ccc(C[NH2+]Cc2ccc(OCC(N)=O)c(OC)c2)cc1	ZINC000113329630	524671771	/nfs/dbraw/zinc/67/17/71/524671771.db2.gz	SBSBKRCCUNTLEY-UHFFFAOYSA-N	1	0	354.406	1.861	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1	ZINC000123063586	524672504	/nfs/dbraw/zinc/67/25/04/524672504.db2.gz	KMXVRMIZSMIXFN-AWEZNQCLSA-N	1	0	357.462	1.053	20	30		FDEDRO
C[NH+]=C(NCCn1cc(C)cn1)N(C)Cc1cc(Br)cn1C	ZINC000159463864	524677611	/nfs/dbraw/zinc/67/76/11/524677611.db2.gz	APLPHKXJHHWYSS-UHFFFAOYSA-N	1	0	367.295	2.000	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@@H](C)C#N)c(C)c2)CC1	ZINC000091268214	524686435	/nfs/dbraw/zinc/68/64/35/524686435.db2.gz	MMHYRUMLAUOTLA-AWEZNQCLSA-N	1	0	357.458	1.351	20	30		FDEDRO
C#CCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1	ZINC000091480556	524712442	/nfs/dbraw/zinc/71/24/42/524712442.db2.gz	AJEYIAKNVUFYLL-UHFFFAOYSA-N	1	0	356.426	1.976	20	30		FDEDRO
C[C@H](CC#N)NC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1	ZINC000123253444	524713069	/nfs/dbraw/zinc/71/30/69/524713069.db2.gz	SFPICBXLYJMFNH-OAHLLOKOSA-N	1	0	371.485	1.821	20	30		FDEDRO
CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)CNC(=O)c1ccc(C#N)cc1)C2	ZINC000174744180	524719932	/nfs/dbraw/zinc/71/99/32/524719932.db2.gz	UNSQITDYVNVDNM-ZWKOTPCHSA-N	1	0	354.454	1.762	20	30		FDEDRO
CCOC[C@@H]1CCC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1	ZINC000091577657	524732089	/nfs/dbraw/zinc/73/20/89/524732089.db2.gz	BCCDKHJCRPXBRF-MSOLQXFVSA-N	1	0	350.507	1.427	20	30		FDEDRO
CCC[NH+]1CCC(N(C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1	ZINC000091589224	524732776	/nfs/dbraw/zinc/73/27/76/524732776.db2.gz	JPLYLVQBPWNPSD-IBGZPJMESA-N	1	0	363.550	1.485	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)CC1	ZINC000152526370	524912591	/nfs/dbraw/zinc/91/25/91/524912591.db2.gz	WVIWPVJAPNMRNO-UHFFFAOYSA-N	1	0	372.469	1.832	20	30		FDEDRO
COc1cc(CN2CC[NH+](CCC(=O)N(C)CCC#N)CC2)cc(OC)c1	ZINC000092799055	524916387	/nfs/dbraw/zinc/91/63/87/524916387.db2.gz	ZTWVXBZKLBLOPX-UHFFFAOYSA-N	1	0	374.485	1.584	20	30		FDEDRO
C[N@H+](CCN1CCN(C(=O)c2ccc(C#N)nc2)CC1)Cc1ccccc1	ZINC000115370068	524976721	/nfs/dbraw/zinc/97/67/21/524976721.db2.gz	OUONVHAKQWUCBE-UHFFFAOYSA-N	1	0	363.465	1.843	20	30		FDEDRO
COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C(=O)NC1(C#N)CCCCC1)CC2	ZINC000124748438	525067111	/nfs/dbraw/zinc/06/71/11/525067111.db2.gz	BXGCIQBPTJXDME-KGLIPLIRSA-N	1	0	360.462	1.060	20	30		FDEDRO
C=C(C)CN(CC)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-]	ZINC000153090320	525103930	/nfs/dbraw/zinc/10/39/30/525103930.db2.gz	DXDYPXDOZKNIPU-UHFFFAOYSA-N	1	0	370.475	1.837	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)CNc1cccc(C#N)c1	ZINC000161428668	525106614	/nfs/dbraw/zinc/10/66/14/525106614.db2.gz	XYQRRSADZHPELW-UHFFFAOYSA-N	1	0	351.410	1.769	20	30		FDEDRO
C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153266928	525161545	/nfs/dbraw/zinc/16/15/45/525161545.db2.gz	PZXPTVSIOLYSKE-AWEZNQCLSA-N	1	0	354.458	1.775	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(C#N)c(Cl)c1	ZINC000125200274	525162621	/nfs/dbraw/zinc/16/26/21/525162621.db2.gz	QUOJHVYHYYJIMS-INIZCTEOSA-N	1	0	362.861	1.884	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C	ZINC000116622205	525184840	/nfs/dbraw/zinc/18/48/40/525184840.db2.gz	PMNMSRWBUBZVAX-CRAIPNDOSA-N	1	0	372.469	1.384	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1	ZINC000177179980	525253547	/nfs/dbraw/zinc/25/35/47/525253547.db2.gz	ABVGIKYNSFQIMX-UKRRQHHQSA-N	1	0	363.483	1.506	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1	ZINC000153654085	525276290	/nfs/dbraw/zinc/27/62/90/525276290.db2.gz	NAAYANRXYWQYQN-MJGOQNOKSA-N	1	0	366.465	1.763	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)c(OC)cc2F)CC1	ZINC000177326298	525276603	/nfs/dbraw/zinc/27/66/03/525276603.db2.gz	VZBZUJJVJPIOQO-UHFFFAOYSA-N	1	0	353.369	1.679	20	30		FDEDRO
Cc1ccccc1C[NH+]1CCC(NC(=O)Cn2cnc(C#N)c2C#N)CC1	ZINC000126256449	525289688	/nfs/dbraw/zinc/28/96/88/525289688.db2.gz	VBHHOBSOAVSLOA-UHFFFAOYSA-N	1	0	362.437	1.716	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1	ZINC000153721621	525300274	/nfs/dbraw/zinc/30/02/74/525300274.db2.gz	FXLUQNASYOSXNG-LBPRGKRZSA-N	1	0	366.368	1.556	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2-n2ccc(C)n2)CC1	ZINC000177646735	525325524	/nfs/dbraw/zinc/32/55/24/525325524.db2.gz	LHBMOKQYXJYORA-UHFFFAOYSA-N	1	0	367.453	1.886	20	30		FDEDRO
CN(C)c1cccc(CNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)n1	ZINC000162900624	525330561	/nfs/dbraw/zinc/33/05/61/525330561.db2.gz	NWBBEKSQGGVKOM-UHFFFAOYSA-N	1	0	356.449	1.924	20	30		FDEDRO
N#CCOc1ccc(/C=C/C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1	ZINC000178081592	525381441	/nfs/dbraw/zinc/38/14/41/525381441.db2.gz	OIECYMIGDSWENU-HNSSHINMSA-N	1	0	355.438	1.783	20	30		FDEDRO
COCCC[N@H+](C)CCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=N	ZINC000154006384	525391840	/nfs/dbraw/zinc/39/18/40/525391840.db2.gz	KPYYEFUQTRXCTC-UHFFFAOYSA-N	1	0	371.485	1.614	20	30		FDEDRO
[NH2+]=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCOCC1	ZINC000104174352	525397893	/nfs/dbraw/zinc/39/78/93/525397893.db2.gz	CJKKEAOXGFVYOP-UHFFFAOYSA-N	1	0	372.391	1.689	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1ccc(-n2ccnc2C)c(F)c1	ZINC000104178778	525397918	/nfs/dbraw/zinc/39/79/18/525397918.db2.gz	GENSDDPMBPFTQE-UHFFFAOYSA-N	1	0	374.464	1.317	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)CC[C@@H]21	ZINC000154041493	525402592	/nfs/dbraw/zinc/40/25/92/525402592.db2.gz	AKEQDQZRWHDGSU-QAPCUYQASA-N	1	0	364.453	1.882	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cn1cnc(C#N)n1	ZINC000178414670	525424449	/nfs/dbraw/zinc/42/44/49/525424449.db2.gz	ULBDTDWGQPIMRQ-HNNXBMFYSA-N	1	0	352.442	1.841	20	30		FDEDRO
N#Cc1ccc(NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1Cl	ZINC000104978759	525456773	/nfs/dbraw/zinc/45/67/73/525456773.db2.gz	XKVWEYLJDCHOIB-ZDUSSCGKSA-N	1	0	363.849	1.921	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000105237138	525481091	/nfs/dbraw/zinc/48/10/91/525481091.db2.gz	NMEOFEZTYMBLPP-QGZVFWFLSA-N	1	0	370.501	1.953	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N[C@@H]1CCCN(c2ncccn2)C1	ZINC000178827228	525488419	/nfs/dbraw/zinc/48/84/19/525488419.db2.gz	SAYFKSQQRMRADB-TWMKSMIVSA-N	1	0	370.501	1.568	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCS[C@H](C)[C@@H]3C)CC2)o1	ZINC000118412780	525502182	/nfs/dbraw/zinc/50/21/82/525502182.db2.gz	HSISPQRKTFDDBL-QWHCGFSZSA-N	1	0	363.487	1.329	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)CC1	ZINC000178919108	525505009	/nfs/dbraw/zinc/50/50/09/525505009.db2.gz	SILPALRXFBHUJU-SJORKVTESA-N	1	0	363.458	1.764	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)COc2cccc([N+](=O)[O-])c2)c1C#N	ZINC000128128462	525506156	/nfs/dbraw/zinc/50/61/56/525506156.db2.gz	CSVFORDZNJKNPF-UHFFFAOYSA-N	1	0	358.358	1.359	20	30		FDEDRO
C[NH+](C)CCOc1ccc(NC(=O)CNC(=O)c2ccc(C#N)cc2)cc1	ZINC000118494241	525507189	/nfs/dbraw/zinc/50/71/89/525507189.db2.gz	TWPLLNSFFKJJBI-UHFFFAOYSA-N	1	0	366.421	1.867	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC1	ZINC000118549153	525509715	/nfs/dbraw/zinc/50/97/15/525509715.db2.gz	BYFNUUJBTFWTBE-UHFFFAOYSA-N	1	0	370.450	1.635	20	30		FDEDRO
C=CCc1ccc(OCC(=O)NCCC[NH+]2CCC(O)CC2)c(OC)c1	ZINC000118723151	525529335	/nfs/dbraw/zinc/52/93/35/525529335.db2.gz	VWSCZCNZERETIN-UHFFFAOYSA-N	1	0	362.470	1.766	20	30		FDEDRO
CCOc1ccc(CN2CC[NH+](CCC(=O)N(C)CCC#N)CC2)cc1	ZINC000179188677	525543427	/nfs/dbraw/zinc/54/34/27/525543427.db2.gz	GDLLCEQRIUTYOX-UHFFFAOYSA-N	1	0	358.486	1.965	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCN2S(=O)(=O)CCC)CC1	ZINC000106036847	525553194	/nfs/dbraw/zinc/55/31/94/525553194.db2.gz	ZGKPAYVLZFMDIK-INIZCTEOSA-N	1	0	357.520	1.347	20	30		FDEDRO
C=CCNc1ncc(C(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)s1	ZINC000128657690	525568248	/nfs/dbraw/zinc/56/82/48/525568248.db2.gz	HCYWRIYXPLDTID-UHFFFAOYSA-N	1	0	365.503	1.367	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1	ZINC000154602241	525586764	/nfs/dbraw/zinc/58/67/64/525586764.db2.gz	UIJZDHIVONTHLA-UHFFFAOYSA-N	1	0	360.458	1.940	20	30		FDEDRO
CC(C)(CCC#N)C[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2)CC1	ZINC000128980165	525598351	/nfs/dbraw/zinc/59/83/51/525598351.db2.gz	GZEVXQICOFENOJ-UHFFFAOYSA-N	1	0	350.488	1.786	20	30		FDEDRO
Cc1nc(CN2CCC[N@H+](C[C@H](O)COc3ccc(C#N)cc3)CC2)no1	ZINC000106147733	525633504	/nfs/dbraw/zinc/63/35/04/525633504.db2.gz	BVRYLOBUNCKNHN-KRWDZBQOSA-N	1	0	371.441	1.197	20	30		FDEDRO
CC(C)[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)C(=O)N1CCOCC1	ZINC000180060262	525656034	/nfs/dbraw/zinc/65/60/34/525656034.db2.gz	FUTVHLAYZXNAEM-OAHLLOKOSA-N	1	0	364.471	1.421	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1	ZINC000154896323	525676462	/nfs/dbraw/zinc/67/64/62/525676462.db2.gz	HPYYETJEWJCIJV-UHFFFAOYSA-N	1	0	361.490	1.287	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1	ZINC000119473796	525757948	/nfs/dbraw/zinc/75/79/48/525757948.db2.gz	GWUYSWQXFCJHKZ-IBGZPJMESA-N	1	0	355.482	1.941	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1	ZINC000106583307	525762638	/nfs/dbraw/zinc/76/26/38/525762638.db2.gz	KNPZFGDZHBYGMU-HNNXBMFYSA-N	1	0	359.474	1.360	20	30		FDEDRO
COc1ccc([C@@H](CNC(=[NH2+])Nc2ccccn2)N2CCOCC2)cc1	ZINC000170906139	525763138	/nfs/dbraw/zinc/76/31/38/525763138.db2.gz	XKWQPDLZCQVTAF-QGZVFWFLSA-N	1	0	355.442	1.890	20	30		FDEDRO
CC(C)NS(=O)(=O)Cc1ccccc1CNC(=[NH2+])Nc1ccccn1	ZINC000170909223	525764953	/nfs/dbraw/zinc/76/49/53/525764953.db2.gz	HIJVTYZTMUWAIX-UHFFFAOYSA-N	1	0	361.471	1.836	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1CCCO[C@H]1c1ccccc1	ZINC000170909132	525765037	/nfs/dbraw/zinc/76/50/37/525765037.db2.gz	RDSSRNWYAISWBJ-OALUTQOASA-N	1	0	360.502	1.652	20	30		FDEDRO
N#CC1(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)CCOCC1	ZINC000180868101	525768250	/nfs/dbraw/zinc/76/82/50/525768250.db2.gz	SRJUEXSAENRQFC-GOSISDBHSA-N	1	0	357.454	1.580	20	30		FDEDRO
C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1	ZINC000155217284	525785050	/nfs/dbraw/zinc/78/50/50/525785050.db2.gz	JVHWZJCHADCZNE-LLVKDONJSA-N	1	0	372.288	1.893	20	30		FDEDRO
Cc1ccc(NC(=[NH2+])NC[C@H](O)CS(=O)(=O)c2cccs2)cc1C	ZINC000130780061	525794817	/nfs/dbraw/zinc/79/48/17/525794817.db2.gz	DNZLONIFCPPAGE-AWEZNQCLSA-N	1	0	367.496	1.926	20	30		FDEDRO
C[C@@H]1C[C@@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)CN1Cc1ccccc1	ZINC000119708495	525833556	/nfs/dbraw/zinc/83/35/56/525833556.db2.gz	HJJNGFXXFJYVAW-DBROBJPSSA-N	1	0	354.454	1.765	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+](CC(C)(C)O)CC1	ZINC000171151068	525871374	/nfs/dbraw/zinc/87/13/74/525871374.db2.gz	UYODCZDDCZEGDX-QGZVFWFLSA-N	1	0	358.486	1.710	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+](CC(C)(C)O)CC1	ZINC000171151066	525871489	/nfs/dbraw/zinc/87/14/89/525871489.db2.gz	UYODCZDDCZEGDX-KRWDZBQOSA-N	1	0	358.486	1.710	20	30		FDEDRO
C=CCNC(=O)CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1	ZINC000181627825	525881994	/nfs/dbraw/zinc/88/19/94/525881994.db2.gz	VRHHNRNUSCENIE-KRWDZBQOSA-N	1	0	369.387	1.859	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)N1CCc2ccccc21	ZINC000155525635	525894369	/nfs/dbraw/zinc/89/43/69/525894369.db2.gz	DMIOHSKFMQJBEP-OAHLLOKOSA-N	1	0	362.437	1.448	20	30		FDEDRO
CC[C@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1cccc(S(N)(=O)=O)c1	ZINC000181743606	525915794	/nfs/dbraw/zinc/91/57/94/525915794.db2.gz	GFZWNVNRZQOWAU-WFASDCNBSA-N	1	0	352.460	1.135	20	30		FDEDRO
N#CCSCC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000108178443	525937800	/nfs/dbraw/zinc/93/78/00/525937800.db2.gz	CSDIRCMWIOPBCO-MRXNPFEDSA-N	1	0	360.483	1.257	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN([C@H](C(=O)OC)c3cccc(C#N)c3)C2)CC1	ZINC000155668844	525938950	/nfs/dbraw/zinc/93/89/50/525938950.db2.gz	FWEQHYIAAXGEMA-MOPGFXCFSA-N	1	0	356.470	1.484	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)cc2C1=O	ZINC000108305056	525949354	/nfs/dbraw/zinc/94/93/54/525949354.db2.gz	AJZVNSYJWFNFBW-OAHLLOKOSA-N	1	0	353.422	1.683	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)C2)c1	ZINC000108406798	525967452	/nfs/dbraw/zinc/96/74/52/525967452.db2.gz	KSQXIRMDJQCOPH-AWEZNQCLSA-N	1	0	351.472	1.223	20	30		FDEDRO
CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)c1	ZINC000181935121	525989001	/nfs/dbraw/zinc/98/90/01/525989001.db2.gz	VDJKLBYMXLDMSX-CHWSQXEVSA-N	1	0	352.460	1.006	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)CC2)nc1	ZINC000108573089	525990730	/nfs/dbraw/zinc/99/07/30/525990730.db2.gz	IYBWRTPXSYUPRB-GOSISDBHSA-N	1	0	368.485	1.706	20	30		FDEDRO
N#CCCN(C(=O)C[NH2+][C@@H](CC(N)=O)C1CCOCC1)c1ccccc1	ZINC000181950953	525996647	/nfs/dbraw/zinc/99/66/47/525996647.db2.gz	KMVVVCKZOQIWNO-KRWDZBQOSA-N	1	0	358.442	1.193	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)CC1CC[NH+](C)CC1	ZINC000171468046	526004495	/nfs/dbraw/zinc/00/44/95/526004495.db2.gz	JMLSCAMFEIGHQP-UHFFFAOYSA-N	1	0	358.442	1.696	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)c1	ZINC000108611114	526004517	/nfs/dbraw/zinc/00/45/17/526004517.db2.gz	CQVCYMAQFCGYSW-UHFFFAOYSA-N	1	0	357.454	1.827	20	30		FDEDRO
COc1ccnc(N2CCC(C(=O)N(CCC#N)CCC[NH+](C)C)CC2)n1	ZINC000171468735	526006272	/nfs/dbraw/zinc/00/62/72/526006272.db2.gz	GKEBVZYOWIKCGS-UHFFFAOYSA-N	1	0	374.489	1.396	20	30		FDEDRO
CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1	ZINC000181987278	526008065	/nfs/dbraw/zinc/00/80/65/526008065.db2.gz	ZUNOJKZXQFRPDP-AWEZNQCLSA-N	1	0	358.442	1.905	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CCCN2S(C)(=O)=O)cc1	ZINC000120275142	526015529	/nfs/dbraw/zinc/01/55/29/526015529.db2.gz	CYAFDBXTGOCJKR-QGZVFWFLSA-N	1	0	350.488	1.550	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CNC(=O)c2cccc(Cl)c2)c1C#N	ZINC000133360087	526050232	/nfs/dbraw/zinc/05/02/32/526050232.db2.gz	VJWCFWVKRKZLGC-UHFFFAOYSA-N	1	0	374.832	1.455	20	30		FDEDRO
COC(=O)Cn1cc(CC[N@@H+]2CCCN(c3ccccc3C#N)CC2)nn1	ZINC000156104344	526057382	/nfs/dbraw/zinc/05/73/82/526057382.db2.gz	KFAGWLCINNMGTB-UHFFFAOYSA-N	1	0	368.441	1.078	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1	ZINC000120466024	526075613	/nfs/dbraw/zinc/07/56/13/526075613.db2.gz	UGLIKLKWMQOUKP-WMLDXEAASA-N	1	0	372.469	1.482	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1	ZINC000120465859	526076150	/nfs/dbraw/zinc/07/61/50/526076150.db2.gz	UGLIKLKWMQOUKP-RHSMWYFYSA-N	1	0	372.469	1.482	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)CCOC)cc2)CC1	ZINC000171716617	526090407	/nfs/dbraw/zinc/09/04/07/526090407.db2.gz	YDTXWBSESKFWOY-UHFFFAOYSA-N	1	0	366.483	1.487	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)CN3CCCCC3=O)CC2)cc1	ZINC000120513371	526094001	/nfs/dbraw/zinc/09/40/01/526094001.db2.gz	MVWTUMDFPDQWRK-UHFFFAOYSA-N	1	0	354.454	1.605	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CCNS(=O)(=O)c2ccccc2)CC1	ZINC000171726383	526095952	/nfs/dbraw/zinc/09/59/52/526095952.db2.gz	FTFBMSKFOMWMLX-UHFFFAOYSA-N	1	0	351.472	1.122	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2cccc(CN3C(=O)CNC3=O)c2)CC1	ZINC000171730718	526097738	/nfs/dbraw/zinc/09/77/38/526097738.db2.gz	AKMPILCEDNAMFD-UHFFFAOYSA-N	1	0	370.453	1.509	20	30		FDEDRO
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)NCC#N)cc1	ZINC000171731519	526098252	/nfs/dbraw/zinc/09/82/52/526098252.db2.gz	SGEWIOMMBNBNAO-CYBMUJFWSA-N	1	0	352.460	1.007	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CN2CCN(Cc3ccccc3)CC2)CC1	ZINC000171728030	526098305	/nfs/dbraw/zinc/09/83/05/526098305.db2.gz	UOLWNLDIAWDGQD-UHFFFAOYSA-N	1	0	370.541	1.961	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC(C(=O)NCCCC)CC2)CC1	ZINC000171740916	526103657	/nfs/dbraw/zinc/10/36/57/526103657.db2.gz	DVSYVONARSCJOA-UHFFFAOYSA-N	1	0	350.507	1.975	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(C(=O)Cc3ccccc3)CC2)CC1	ZINC000171739555	526103889	/nfs/dbraw/zinc/10/38/89/526103889.db2.gz	KDZLPKMWSIIXGV-UHFFFAOYSA-N	1	0	370.497	1.733	20	30		FDEDRO
COC(=O)CN(CC#N)C(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1	ZINC000120604845	526126510	/nfs/dbraw/zinc/12/65/10/526126510.db2.gz	CFYYPYPIZQNUDC-INIZCTEOSA-N	1	0	357.454	1.855	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1	ZINC000182891031	535881878	/nfs/dbraw/zinc/88/18/78/535881878.db2.gz	AJGSTNWDRHRHNU-MOPGFXCFSA-N	1	0	350.551	1.901	20	30		FDEDRO
CN1CC[NH+]([C@H]2CCCCN(CC(=O)Nc3ccc(C#N)cc3)C2)CC1	ZINC000182894131	535883983	/nfs/dbraw/zinc/88/39/83/535883983.db2.gz	JJDYNIUBKYHMSH-IBGZPJMESA-N	1	0	355.486	1.599	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH2+]C2(CO)CCCC2)CC1	ZINC000182960142	535895290	/nfs/dbraw/zinc/89/52/90/535895290.db2.gz	ZPXDQKSBUVMFFM-OAHLLOKOSA-N	1	0	362.499	1.352	20	30		FDEDRO
CNc1nnc(CC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)s1	ZINC000183520921	535996823	/nfs/dbraw/zinc/99/68/23/535996823.db2.gz	PXWRJLBAPFFRPM-UHFFFAOYSA-N	1	0	358.471	1.584	20	30		FDEDRO
COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1	ZINC000185859077	536219524	/nfs/dbraw/zinc/21/95/24/536219524.db2.gz	DVXYLPHWEZHPSD-DLBZAZTESA-N	1	0	364.467	1.946	20	30		FDEDRO
C=CC[C@@H](CO)NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC	ZINC000186304289	536231595	/nfs/dbraw/zinc/23/15/95/536231595.db2.gz	WUUOMZUMUKQWTA-HNNXBMFYSA-N	1	0	362.474	1.896	20	30		FDEDRO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@@H](O)C[C@H]3CO)sc2C1	ZINC000186523981	536236387	/nfs/dbraw/zinc/23/63/87/536236387.db2.gz	VADLEBYJDTWVTF-AVGNSLFASA-N	1	0	363.483	1.501	20	30		FDEDRO
C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000186689573	536241176	/nfs/dbraw/zinc/24/11/76/536241176.db2.gz	WEPOOJVIWWXZDL-HOCLYGCPSA-N	1	0	354.472	1.295	20	30		FDEDRO
COCCn1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1	ZINC000187239928	536258584	/nfs/dbraw/zinc/25/85/84/536258584.db2.gz	ZIONKDZBRISBQC-UHFFFAOYSA-N	1	0	355.442	1.605	20	30		FDEDRO
CCN(C)C(=O)[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000187905674	536277703	/nfs/dbraw/zinc/27/77/03/536277703.db2.gz	GNLMCFRUEIBGGE-INIZCTEOSA-N	1	0	371.485	1.642	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)c3cccc(F)c3C#N)ccn2)CC1	ZINC000188362794	536291288	/nfs/dbraw/zinc/29/12/88/536291288.db2.gz	CMIQPNGBQOSAMJ-UHFFFAOYSA-N	1	0	353.401	1.774	20	30		FDEDRO
COCC[NH+]1[C@H](C)CN([C@H]2CCN(c3sccc3C#N)C2=O)C[C@H]1C	ZINC000246508773	536969266	/nfs/dbraw/zinc/96/92/66/536969266.db2.gz	BQBGHVVJTAGVSL-FMKPAKJESA-N	1	0	362.499	1.766	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)NCCN1CCC([NH+](C)C)CC1	ZINC000267363354	536970389	/nfs/dbraw/zinc/97/03/89/536970389.db2.gz	STGQABANRBQPMS-UHFFFAOYSA-N	1	0	362.449	1.985	20	30		FDEDRO
CCN(CCC[NH+](C)C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000188954522	536976731	/nfs/dbraw/zinc/97/67/31/536976731.db2.gz	GZBXVXGPVOCZIO-AWEZNQCLSA-N	1	0	366.487	1.025	20	30		FDEDRO
Cc1oc(NC(=O)[C@@H](C)N2CC[C@@H](C[NH+]3CCOCC3)C2)c(C#N)c1C	ZINC000246565961	536981225	/nfs/dbraw/zinc/98/12/25/536981225.db2.gz	DRMDFZPCVWIEJZ-ZBFHGGJFSA-N	1	0	360.458	1.749	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+](C)CCCC(=O)NC)c(OC)c1	ZINC000269902487	537028065	/nfs/dbraw/zinc/02/80/65/537028065.db2.gz	JLIRUTDMABMLHA-MRXNPFEDSA-N	1	0	350.459	1.621	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c1	ZINC000189543788	537063380	/nfs/dbraw/zinc/06/33/80/537063380.db2.gz	JUZUIBPBZWOJQC-RBUKOAKNSA-N	1	0	372.513	1.937	20	30		FDEDRO
CC(C)COC(=O)N1CCCN(CC(=O)NCc2ccc(C#N)cc2)CC1	ZINC000263682041	537063704	/nfs/dbraw/zinc/06/37/04/537063704.db2.gz	IJQQNYBCHQEYPX-UHFFFAOYSA-N	1	0	372.469	1.975	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)CC[C@H]21	ZINC000247119570	537084089	/nfs/dbraw/zinc/08/40/89/537084089.db2.gz	AKEQDQZRWHDGSU-MAUKXSAKSA-N	1	0	364.453	1.882	20	30		FDEDRO
C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000247369393	537113830	/nfs/dbraw/zinc/11/38/30/537113830.db2.gz	KQSTUHSXCHKCFT-RHSMWYFYSA-N	1	0	363.483	1.272	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C[N@@H+]1C1CC1	ZINC000247509794	537127363	/nfs/dbraw/zinc/12/73/63/537127363.db2.gz	YGMOHYHMXCNAHG-RRFJBIMHSA-N	1	0	369.473	1.194	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)C[NH+]1CCCC1	ZINC000247527205	537129352	/nfs/dbraw/zinc/12/93/52/537129352.db2.gz	ZNMGKHDPDHYIJG-JKSUJKDBSA-N	1	0	371.489	1.300	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NCc1nnc2c(Cl)cc(C(F)(F)F)cn12	ZINC000264054382	537136660	/nfs/dbraw/zinc/13/66/60/537136660.db2.gz	AGCBVHNNAFCTLT-ZETCQYMHSA-N	1	0	364.759	1.841	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCc2cccnc2N2CCOCC2)CC1	ZINC000264348532	537142077	/nfs/dbraw/zinc/14/20/77/537142077.db2.gz	CFGQIZONTYWFIC-UHFFFAOYSA-N	1	0	373.501	1.758	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2cccc(S(=O)(=O)NC)c2)CC1	ZINC000264348012	537142176	/nfs/dbraw/zinc/14/21/76/537142176.db2.gz	ASEICDJRROIAOJ-UHFFFAOYSA-N	1	0	366.487	1.044	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cccc(OCC#N)c2)CC1=O	ZINC000264385503	537143097	/nfs/dbraw/zinc/14/30/97/537143097.db2.gz	HATGHRGZKSKPGO-WBVHZDCISA-N	1	0	370.453	1.860	20	30		FDEDRO
COc1ccccc1[C@H](CNC(=O)N1CCO[C@H](C#N)C1)[NH+]1CCCC1	ZINC000264422494	537144645	/nfs/dbraw/zinc/14/46/45/537144645.db2.gz	UWHCATJDTCZFEA-WBVHZDCISA-N	1	0	358.442	1.766	20	30		FDEDRO
C#CCOc1cccc(NC(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c1	ZINC000264568377	537145697	/nfs/dbraw/zinc/14/56/97/537145697.db2.gz	UMFCEJAANUNKHX-UHFFFAOYSA-N	1	0	372.469	1.620	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1	ZINC000247739734	537147893	/nfs/dbraw/zinc/14/78/93/537147893.db2.gz	WOFLYKJTAWJOMC-HUUCEWRRSA-N	1	0	360.433	1.919	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@H](O)C1CCOCC1)C(C)C	ZINC000265574799	537158565	/nfs/dbraw/zinc/15/85/65/537158565.db2.gz	PIXQVGBOCRSMLK-ROUUACIJSA-N	1	0	353.507	1.772	20	30		FDEDRO
C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000190287566	537161351	/nfs/dbraw/zinc/16/13/51/537161351.db2.gz	VJQDOOGOHDAZHC-QZTJIDSGSA-N	1	0	369.469	1.395	20	30		FDEDRO
C#C[C@H](C)NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1	ZINC000190288855	537161722	/nfs/dbraw/zinc/16/17/22/537161722.db2.gz	RXLYPXJSXGPPOT-HNNXBMFYSA-N	1	0	370.453	1.578	20	30		FDEDRO
C#CCN(CC#C)C(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1	ZINC000190444760	537173671	/nfs/dbraw/zinc/17/36/71/537173671.db2.gz	YXYMTTBGTHJPBO-UHFFFAOYSA-N	1	0	366.465	1.251	20	30		FDEDRO
N#CC1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCOCC1	ZINC000190976451	537193121	/nfs/dbraw/zinc/19/31/21/537193121.db2.gz	CEFQNUAPKUZVAJ-SFHVURJKSA-N	1	0	357.454	1.714	20	30		FDEDRO
COC(=O)CCN(CC(=O)NCC#N)Cc1cccc(Br)c1	ZINC000192328749	537223236	/nfs/dbraw/zinc/22/32/36/537223236.db2.gz	QZUFQODBWMVPGU-UHFFFAOYSA-N	1	0	368.231	1.454	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1	ZINC000249411506	537235101	/nfs/dbraw/zinc/23/51/01/537235101.db2.gz	FGSGNSHGWZZLKN-DLBZAZTESA-N	1	0	369.465	1.970	20	30		FDEDRO
C=CCN(C(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1)C1CC1	ZINC000276027810	537269147	/nfs/dbraw/zinc/26/91/47/537269147.db2.gz	IHDVOJYHTFZFJN-UHFFFAOYSA-N	1	0	356.470	1.944	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1	ZINC000363675508	537273225	/nfs/dbraw/zinc/27/32/25/537273225.db2.gz	OKIZLOWAYBFRES-HZPDHXFCSA-N	1	0	369.462	1.471	20	30		FDEDRO
C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C#N)cn1	ZINC000293013686	537290635	/nfs/dbraw/zinc/29/06/35/537290635.db2.gz	HGDWERAIABJPRW-INIZCTEOSA-N	1	0	351.410	1.181	20	30		FDEDRO
C=CCn1c(-c2cnn(C)c2)nnc1N1CC[N@H+](CCOC)[C@H](CCC)C1	ZINC000282276125	537298167	/nfs/dbraw/zinc/29/81/67/537298167.db2.gz	MMTXPWXIMQASHR-QGZVFWFLSA-N	1	0	373.505	1.802	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2ccc(CC#N)cc2)c1	ZINC000270294952	537307431	/nfs/dbraw/zinc/30/74/31/537307431.db2.gz	MMVXVAHWGCBHQN-UHFFFAOYSA-N	1	0	364.449	1.974	20	30		FDEDRO
CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)CCCOc1cccc(C#N)c1	ZINC000272764609	537329498	/nfs/dbraw/zinc/32/94/98/537329498.db2.gz	QZWXVZKASZVVSO-GOSISDBHSA-N	1	0	374.485	1.809	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)CN1CCCNC(=O)[C@@H]1Cc1ccccc1	ZINC000293079434	537329700	/nfs/dbraw/zinc/32/97/00/537329700.db2.gz	WDFYIUQVQJTCAQ-FXAWDEMLSA-N	1	0	356.470	1.474	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000333198409	537347406	/nfs/dbraw/zinc/34/74/06/537347406.db2.gz	QFBFNXVUFQEKIZ-ONIAQPFYSA-N	1	0	351.491	1.861	20	30		FDEDRO
Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@@H]2CC[C@H](C#N)C2)CC1	ZINC000333547808	537349267	/nfs/dbraw/zinc/34/92/67/537349267.db2.gz	IYUAJQGJLICWIW-DZGCQCFKSA-N	1	0	351.476	1.462	20	30		FDEDRO
[NH2+]=C(NCCCn1cc(CO)nn1)Nc1ccccc1OC(F)(F)F	ZINC000290433682	537350848	/nfs/dbraw/zinc/35/08/48/537350848.db2.gz	BGWQIHXSZHKGSW-UHFFFAOYSA-N	1	0	358.324	1.486	20	30		FDEDRO
CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000363966422	537380013	/nfs/dbraw/zinc/38/00/13/537380013.db2.gz	QVHMFKPOQQLIEW-CRAIPNDOSA-N	1	0	356.470	1.896	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1	ZINC000298941456	537381430	/nfs/dbraw/zinc/38/14/30/537381430.db2.gz	JQXNVFIYHRMHKA-HOTGVXAUSA-N	1	0	372.469	1.405	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(OC(C)C)nc2)CC1	ZINC000283838600	537388353	/nfs/dbraw/zinc/38/83/53/537388353.db2.gz	AQFMKIYSTGQBPQ-UHFFFAOYSA-N	1	0	374.485	1.642	20	30		FDEDRO
CN(C)C(NCc1ccccc1)=[NH+]C[C@]1(N2CCOCC2)CCCOC1	ZINC000364399972	537391875	/nfs/dbraw/zinc/39/18/75/537391875.db2.gz	AWSYDMSTGAFTGT-HXUWFJFHSA-N	1	0	360.502	1.575	20	30		FDEDRO
COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](CCCSCC#N)C1	ZINC000364788395	537398705	/nfs/dbraw/zinc/39/87/05/537398705.db2.gz	JQMVOOBFMGBZDO-CQSZACIVSA-N	1	0	365.503	1.612	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCN(c3ccccc3)C2)CC1	ZINC000286330120	537432830	/nfs/dbraw/zinc/43/28/30/537432830.db2.gz	AOEKEWLVCKCBBC-SFHVURJKSA-N	1	0	370.497	1.538	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1	ZINC000293392754	537440686	/nfs/dbraw/zinc/44/06/86/537440686.db2.gz	NVBMYTAXSQBLRB-UHFFFAOYSA-N	1	0	368.437	1.968	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(C)c(Br)cn1	ZINC000293402352	537442121	/nfs/dbraw/zinc/44/21/21/537442121.db2.gz	OLRDQAWTTIJPLF-UHFFFAOYSA-N	1	0	367.247	1.162	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000287362866	537443455	/nfs/dbraw/zinc/44/34/55/537443455.db2.gz	QLPLGNLKJMFKTF-UKRRQHHQSA-N	1	0	362.455	1.684	20	30		FDEDRO
C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)CCCN1CC[NH+](C)CC1	ZINC000288068003	537451337	/nfs/dbraw/zinc/45/13/37/537451337.db2.gz	GBIDTYBNNNURQD-FQEVSTJZSA-N	1	0	356.514	1.900	20	30		FDEDRO
CC#CCN(C)C(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1	ZINC000293441533	537462852	/nfs/dbraw/zinc/46/28/52/537462852.db2.gz	MGOBNMXMLUIDHE-UHFFFAOYSA-N	1	0	356.470	1.637	20	30		FDEDRO
Cc1ccc([C@H]([NH2+]CCC(=O)N(C)CCC#N)[C@@H](C)S(C)(=O)=O)cc1	ZINC000280910663	537479786	/nfs/dbraw/zinc/47/97/86/537479786.db2.gz	SBSOPOOJLCOGKM-CRAIPNDOSA-N	1	0	365.499	1.821	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(Oc2cnccn2)c1	ZINC000293518598	537497175	/nfs/dbraw/zinc/49/71/75/537497175.db2.gz	YQSSMQUVSVSOPF-UHFFFAOYSA-N	1	0	367.409	1.279	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccccc1N1CCCCC1	ZINC000293524328	537501652	/nfs/dbraw/zinc/50/16/52/537501652.db2.gz	ZHSSMZFTRUEHDS-UHFFFAOYSA-N	1	0	356.470	1.687	20	30		FDEDRO
C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCn3ncc(C(N)=O)c3C2)cc1	ZINC000281177440	537507965	/nfs/dbraw/zinc/50/79/65/537507965.db2.gz	QIPSLYCXYAVMJQ-GJZGRUSLSA-N	1	0	352.438	1.907	20	30		FDEDRO
C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CC(=O)NCc2ccc(C#N)cc2)C[C@@H](C)O1	ZINC000299249514	537511120	/nfs/dbraw/zinc/51/11/20/537511120.db2.gz	ATYPKHXLEDQCSN-MBOZVWFJSA-N	1	0	370.497	1.748	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(OCC(=O)OC)cc1	ZINC000274844538	537532732	/nfs/dbraw/zinc/53/27/32/537532732.db2.gz	DTCBEJAILBDOJU-CYBMUJFWSA-N	1	0	363.414	1.071	20	30		FDEDRO
N#Cc1ccc(C[C@H](C#N)C(=O)NCCCC[N@H+]2CCC[C@H]2CO)cc1	ZINC000281389985	537537506	/nfs/dbraw/zinc/53/75/06/537537506.db2.gz	BLMQGOYIPYNULL-MOPGFXCFSA-N	1	0	354.454	1.594	20	30		FDEDRO
N#CCCn1cc(C[NH2+]C[C@@H]2CC(C(N)=O)=NO2)c(-c2ccccc2)n1	ZINC000276483640	537540003	/nfs/dbraw/zinc/54/00/03/537540003.db2.gz	STVLZXKDOJHWJP-HNNXBMFYSA-N	1	0	352.398	1.184	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1	ZINC000275728828	537559025	/nfs/dbraw/zinc/55/90/25/537559025.db2.gz	TZJHZHAIHCRBTA-AWEZNQCLSA-N	1	0	361.417	1.576	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1	ZINC000289389343	537570612	/nfs/dbraw/zinc/57/06/12/537570612.db2.gz	LNFDYFDEOYYSDV-UHFFFAOYSA-N	1	0	365.449	1.425	20	30		FDEDRO
Cn1ccc(N2CC[C@H]([NH2+]Cc3cccc(OCCCC#N)c3)C2=O)n1	ZINC000360092658	537579170	/nfs/dbraw/zinc/57/91/70/537579170.db2.gz	KXPMWQREMCIAET-KRWDZBQOSA-N	1	0	353.426	1.998	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(OC)cc1	ZINC000293892059	537618356	/nfs/dbraw/zinc/61/83/56/537618356.db2.gz	DNAYQGJKLSKBQD-ICSRJNTNSA-N	1	0	371.481	1.676	20	30		FDEDRO
C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000291566530	537632176	/nfs/dbraw/zinc/63/21/76/537632176.db2.gz	DDIMRNFBZCNINY-DOTOQJQBSA-N	1	0	357.458	1.990	20	30		FDEDRO
Cn1nnc2c1C[C@H](C(=O)NCC1([NH+]3CCCCC3)CCOCC1)CC2	ZINC000329502873	537637645	/nfs/dbraw/zinc/63/76/45/537637645.db2.gz	HZZNCXDWTHXGPH-OAHLLOKOSA-N	1	0	361.490	1.912	20	30		FDEDRO
CN1CCN(CC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1=O	ZINC000329544823	537638696	/nfs/dbraw/zinc/63/86/96/537638696.db2.gz	GIHZHERBLYBKTI-OAHLLOKOSA-N	1	0	364.515	1.691	20	30		FDEDRO
CN1CCO[C@@H]2CN(C(=O)Nc3cccc(N4CCCNC4=O)c3)C[C@H]21	ZINC000329916170	537645216	/nfs/dbraw/zinc/64/52/16/537645216.db2.gz	DMVPOYVDUXPCTB-HZPDHXFCSA-N	1	0	359.430	1.371	20	30		FDEDRO
CO[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)C1	ZINC000329918979	537645882	/nfs/dbraw/zinc/64/58/82/537645882.db2.gz	CZPDZNUWYBAPQZ-XUWVNRHRSA-N	1	0	353.442	1.404	20	30		FDEDRO
Cn1cc(N2CCC[C@H](NC(=O)NC[C@@H]3CCc4nccn4C3)C2)cn1	ZINC000329923425	537647053	/nfs/dbraw/zinc/64/70/53/537647053.db2.gz	UJFMITKCVWKRME-GJZGRUSLSA-N	1	0	357.462	1.352	20	30		FDEDRO
Cc1c([C@@H]2[C@H](C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)CC(=O)N2C)cnn1C	ZINC000330355313	537654772	/nfs/dbraw/zinc/65/47/72/537654772.db2.gz	QMXLDAJTMMILDV-SIIHOXLZSA-N	1	0	359.474	1.689	20	30		FDEDRO
CC(C)NC(=O)NC(=O)[C@H](C)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000330425659	537656751	/nfs/dbraw/zinc/65/67/51/537656751.db2.gz	JHAFOTFTORWFOS-XHSDSOJGSA-N	1	0	368.522	1.635	20	30		FDEDRO
C[NH+](C)Cc1cc(CNC(=O)N[C@H]2CCC(=O)NC2(C)C)ccc1F	ZINC000330425745	537657144	/nfs/dbraw/zinc/65/71/44/537657144.db2.gz	GISMYFYQRUQJDI-HNNXBMFYSA-N	1	0	350.438	1.948	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1	ZINC000294100597	537657323	/nfs/dbraw/zinc/65/73/23/537657323.db2.gz	YGIGONJCIOVUQE-ZDUSSCGKSA-N	1	0	371.890	1.078	20	30		FDEDRO
COC(=O)[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C	ZINC000331021307	537664848	/nfs/dbraw/zinc/66/48/48/537664848.db2.gz	PKWOGTIPUAXUID-BZUAXINKSA-N	1	0	355.479	1.388	20	30		FDEDRO
C[C@@H](CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)C[NH+]1CCCC1	ZINC000291722111	537667908	/nfs/dbraw/zinc/66/79/08/537667908.db2.gz	WWIUJSIITIWVHT-DOTOQJQBSA-N	1	0	357.458	1.848	20	30		FDEDRO
COCC[N@@H+]1CCCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1	ZINC000294159952	537668426	/nfs/dbraw/zinc/66/84/26/537668426.db2.gz	PJDKFCDBQKQDRA-UHFFFAOYSA-N	1	0	356.348	1.766	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CCCC1	ZINC000291796803	537678074	/nfs/dbraw/zinc/67/80/74/537678074.db2.gz	XQYZLWOYXHEBKR-INIZCTEOSA-N	1	0	357.458	1.990	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000298483852	537721147	/nfs/dbraw/zinc/72/11/47/537721147.db2.gz	XQCONAFRPPPOPV-IBGZPJMESA-N	1	0	366.465	1.770	20	30		FDEDRO
N#CCNC(=O)CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F	ZINC000376205511	537845427	/nfs/dbraw/zinc/84/54/27/537845427.db2.gz	BEVRVWNXJWKCSP-ZIAGYGMSSA-N	1	0	368.359	1.053	20	30		FDEDRO
C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCCSCc1ccccc1C#N	ZINC000418925358	537850034	/nfs/dbraw/zinc/85/00/34/537850034.db2.gz	PZHQYXSRNWMTPJ-UONOGXRCSA-N	1	0	360.483	1.116	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(CCC[NH+]2CCOCC2)CC1	ZINC000409512794	537856979	/nfs/dbraw/zinc/85/69/79/537856979.db2.gz	JZGCDPKTRJXULI-INIZCTEOSA-N	1	0	372.535	1.147	20	30		FDEDRO
CC(C)C[C@@H]([NH3+])c1noc(CN(C)S(=O)(=O)c2ccc(C#N)cc2)n1	ZINC000414614256	537864585	/nfs/dbraw/zinc/86/45/85/537864585.db2.gz	GXDUVZJFKHENHO-CQSZACIVSA-N	1	0	363.443	1.808	20	30		FDEDRO
C=C(C)CN(C)C(=O)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1	ZINC000410506211	537908498	/nfs/dbraw/zinc/90/84/98/537908498.db2.gz	WYYAQRKQIRIPAQ-UHFFFAOYSA-N	1	0	372.513	1.297	20	30		FDEDRO
C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1	ZINC000372314668	537919653	/nfs/dbraw/zinc/91/96/53/537919653.db2.gz	FVEJMJOHNFLYRV-AWEZNQCLSA-N	1	0	356.405	2.298	20	30		FDEDRO
C[C@H]([NH2+][C@@H](CO)[C@@H]1CCCOC1)C(=O)N(CCC#N)c1ccc(F)cc1	ZINC000411990847	537925384	/nfs/dbraw/zinc/92/53/84/537925384.db2.gz	IRQBMIRORSUTMA-DAYGRLMNSA-N	1	0	363.433	1.838	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1	ZINC000414877092	537928059	/nfs/dbraw/zinc/92/80/59/537928059.db2.gz	WXFBRLVHXVTJNN-UHFFFAOYSA-N	1	0	360.462	1.030	20	30		FDEDRO
C=C(C)COCCNC(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1	ZINC000414969170	537946876	/nfs/dbraw/zinc/94/68/76/537946876.db2.gz	JEFNKOADSJJCSG-UHFFFAOYSA-N	1	0	359.348	1.812	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1	ZINC000414992734	537953539	/nfs/dbraw/zinc/95/35/39/537953539.db2.gz	BZTBQZPOJLMSQL-INIZCTEOSA-N	1	0	357.458	1.857	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)cc1	ZINC000377117574	537956774	/nfs/dbraw/zinc/95/67/74/537956774.db2.gz	AMRDZKRTYWCGBP-KCXAZCMYSA-N	1	0	354.451	1.497	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC2(C[C@@H]2C(=O)N2CCCC2)CC1	ZINC000367555591	537961379	/nfs/dbraw/zinc/96/13/79/537961379.db2.gz	BORCXAIDCROWDK-LSDHHAIUSA-N	1	0	362.474	1.111	20	30		FDEDRO
CCc1nc(CN2CCC[C@@H]([N@H+](C)CC(=O)N[C@@](C)(C#N)C3CC3)C2)no1	ZINC000369234989	538007178	/nfs/dbraw/zinc/00/71/78/538007178.db2.gz	GPARRMLWNIESAR-BEFAXECRSA-N	1	0	374.489	1.337	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1	ZINC000369301094	538012978	/nfs/dbraw/zinc/01/29/78/538012978.db2.gz	ADFIHJKOHCKYBB-FUHWJXTLSA-N	1	0	359.474	1.301	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)CC1	ZINC000369308930	538014942	/nfs/dbraw/zinc/01/49/42/538014942.db2.gz	WHQYASQDBABTTR-QGZVFWFLSA-N	1	0	371.485	1.373	20	30		FDEDRO
C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1	ZINC000415403322	538032168	/nfs/dbraw/zinc/03/21/68/538032168.db2.gz	ZUCUNWSSNYGVBK-QGZVFWFLSA-N	1	0	362.433	1.488	20	30		FDEDRO
CC(C)[NH+]1CCN([C@H]2CCN(CC(=O)Nc3sccc3C#N)C2)CC1	ZINC000377833394	538032895	/nfs/dbraw/zinc/03/28/95/538032895.db2.gz	YWOXEUFSRDTPSZ-INIZCTEOSA-N	1	0	361.515	1.659	20	30		FDEDRO
C[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C[C@@H]1C[NH3+]	ZINC000415444433	538049046	/nfs/dbraw/zinc/04/90/46/538049046.db2.gz	GFKOXYSZJIBHDI-OCCSQVGLSA-N	1	0	356.405	2.332	20	30		FDEDRO
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NC[C@@H](C)C[NH3+]	ZINC000415508813	538073174	/nfs/dbraw/zinc/07/31/74/538073174.db2.gz	GFBITLOHLILFDQ-LBPRGKRZSA-N	1	0	367.409	1.704	20	30		FDEDRO
N#Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1	ZINC000378229987	538078951	/nfs/dbraw/zinc/07/89/51/538078951.db2.gz	MSCPRPZVUHHRPF-CVEARBPZSA-N	1	0	367.446	1.619	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1C#N	ZINC000415872556	538089956	/nfs/dbraw/zinc/08/99/56/538089956.db2.gz	RSVNPWKDTPZGFO-CWRNSKLLSA-N	1	0	370.453	1.788	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)NC[C@H]3CCC[C@@H]([NH3+])C3)CC2)cc1	ZINC000418721865	538100476	/nfs/dbraw/zinc/10/04/76/538100476.db2.gz	MMKYGVSIIPICFZ-RBUKOAKNSA-N	1	0	355.486	1.903	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1	ZINC000419877566	538128207	/nfs/dbraw/zinc/12/82/07/538128207.db2.gz	FSZXMKOVHHIFQO-GOEBONIOSA-N	1	0	374.441	1.614	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+]	ZINC000420013738	538187517	/nfs/dbraw/zinc/18/75/17/538187517.db2.gz	JJOPGKIORBOINL-QZTJIDSGSA-N	1	0	354.454	1.707	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H](CO)C(C)(C)C	ZINC000444684136	538190837	/nfs/dbraw/zinc/19/08/37/538190837.db2.gz	KPCIIRIMVIRRDT-MRXNPFEDSA-N	1	0	364.490	1.948	20	30		FDEDRO
C=CCOc1cccc(C[NH2+]C2(CC(=O)OC)CCS(=O)(=O)CC2)c1	ZINC000439786209	538197051	/nfs/dbraw/zinc/19/70/51/538197051.db2.gz	IEDUPIMQGDPPHY-UHFFFAOYSA-N	1	0	367.467	1.852	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2cnccc2C(C)(C)C)CC1	ZINC000422298839	538217535	/nfs/dbraw/zinc/21/75/35/538217535.db2.gz	SIPAFXZRFOQGOC-UHFFFAOYSA-N	1	0	358.486	1.762	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1	ZINC000424070532	538228203	/nfs/dbraw/zinc/22/82/03/538228203.db2.gz	SHHWTHICOROWFS-CVEARBPZSA-N	1	0	359.430	1.947	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)cc1	ZINC000424094371	538234948	/nfs/dbraw/zinc/23/49/48/538234948.db2.gz	UFZYXBZOBNJWJM-HNNXBMFYSA-N	1	0	354.414	1.371	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1	ZINC000424113285	538237617	/nfs/dbraw/zinc/23/76/17/538237617.db2.gz	MVMIWIBSUMDHLN-CQSZACIVSA-N	1	0	350.369	1.270	20	30		FDEDRO
CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)[C@@H]([NH3+])CCCC#N)c1	ZINC000424124546	538241033	/nfs/dbraw/zinc/24/10/33/538241033.db2.gz	PAHWACQPIZOJHF-DOMZBBRYSA-N	1	0	352.460	1.723	20	30		FDEDRO
Cc1cccc(O[C@@H](C)C(=O)N2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)c1	ZINC000424126569	538242738	/nfs/dbraw/zinc/24/27/38/538242738.db2.gz	OYBHQBHDZYLXMC-FUHWJXTLSA-N	1	0	372.469	1.454	20	30		FDEDRO
COc1cc(C[NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)ccc1C#N	ZINC000440796242	538284204	/nfs/dbraw/zinc/28/42/04/538284204.db2.gz	BXJHLYISDXRVNG-UHFFFAOYSA-N	1	0	356.426	1.911	20	30		FDEDRO
CN(C1(C[NH3+])CCC1)S(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000420445463	538296071	/nfs/dbraw/zinc/29/60/71/538296071.db2.gz	NFLIKUBDNDRYSH-UHFFFAOYSA-N	1	0	358.261	1.823	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1ccc(CN2CCOCC2)cc1	ZINC000451673034	538297818	/nfs/dbraw/zinc/29/78/18/538297818.db2.gz	JVQAKFJZLXCUBL-MOPGFXCFSA-N	1	0	359.470	1.781	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N(C)CC(=O)Nc1cccc(OC)c1	ZINC000451674569	538299272	/nfs/dbraw/zinc/29/92/72/538299272.db2.gz	NKPKUSDYQRWRHJ-SJORKVTESA-N	1	0	361.442	1.415	20	30		FDEDRO
COc1cc(C#N)ccc1OCCCC(=O)NC[C@]1(O)C[NH+]2CCC1CC2	ZINC000560505162	545528451	/nfs/dbraw/zinc/52/84/51/545528451.db2.gz	GYKCLMUSKFSOEE-FQEVSTJZSA-N	1	0	373.453	1.299	20	30		FDEDRO
C=CCCn1cc(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)nn1	ZINC000424664500	538344836	/nfs/dbraw/zinc/34/48/36/538344836.db2.gz	KEDVYVOCDXSSMF-UHFFFAOYSA-N	1	0	369.469	1.741	20	30		FDEDRO
CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[C@@H](C#N)C2)c1	ZINC000442863269	538380297	/nfs/dbraw/zinc/38/02/97/538380297.db2.gz	XCGFTGQUCNBQQY-OUCADQQQSA-N	1	0	350.444	1.204	20	30		FDEDRO
Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)nn1-c1cccc(C#N)c1	ZINC000452369760	538383499	/nfs/dbraw/zinc/38/34/99/538383499.db2.gz	RUHVZIYIUMQBFR-SFHVURJKSA-N	1	0	367.453	1.629	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c(OC)c1	ZINC000452378770	538386322	/nfs/dbraw/zinc/38/63/22/538386322.db2.gz	XVYRIIDLIOGKHU-QGZVFWFLSA-N	1	0	362.470	1.766	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)ccc1C#N	ZINC000453647559	538416301	/nfs/dbraw/zinc/41/63/01/538416301.db2.gz	ROMSMVPDXKBYBW-UHFFFAOYSA-N	1	0	369.469	1.923	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@H+](C)[C@]2(CO)CCOC2)c(OC)c1	ZINC000461366637	538512141	/nfs/dbraw/zinc/51/21/41/538512141.db2.gz	PABNYEMJPXTQMK-LPHOPBHVSA-N	1	0	351.443	1.247	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(CC[NH+](C)C)C1CC1	ZINC000476816479	538559705	/nfs/dbraw/zinc/55/97/05/538559705.db2.gz	JDGQVYKBYNPWTB-UHFFFAOYSA-N	1	0	354.458	1.703	20	30		FDEDRO
N#Cc1cccnc1-n1cc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cn1	ZINC000462070362	538593871	/nfs/dbraw/zinc/59/38/71/538593871.db2.gz	GZVPQYBLSCMYCZ-CVEARBPZSA-N	1	0	351.414	1.887	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000495543374	538670563	/nfs/dbraw/zinc/67/05/63/538670563.db2.gz	BDWIEKYNVZZRIO-HOTGVXAUSA-N	1	0	372.469	1.367	20	30		FDEDRO
CNc1nc(NCc2ccc(C#N)cc2)nc(NCc2ccc(C#N)cc2)[nH+]1	ZINC000467786326	538689514	/nfs/dbraw/zinc/68/95/14/538689514.db2.gz	WNAXSAZFCCRQOQ-UHFFFAOYSA-N	1	0	370.420	1.147	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[N@H+](C)CC[C@@H]2C)cc1	ZINC000483448162	538701029	/nfs/dbraw/zinc/70/10/29/538701029.db2.gz	PLDGRQYZEJGPLR-UONOGXRCSA-N	1	0	364.471	1.930	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH+]2C[C@@H](OC)[C@H](OC)C2)c(OC)c1	ZINC000488106734	538710873	/nfs/dbraw/zinc/71/08/73/538710873.db2.gz	LXHVFAROCQXGEJ-ATZDWAIDSA-N	1	0	351.443	1.509	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)CC2)c1C#N	ZINC000473108981	538749303	/nfs/dbraw/zinc/74/93/03/538749303.db2.gz	PHOXTJBHEUTDIK-UHFFFAOYSA-N	1	0	372.517	1.761	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccccn2)cc1C#N	ZINC000489193708	538797161	/nfs/dbraw/zinc/79/71/61/538797161.db2.gz	GSYVTQNYTXHAKF-UHFFFAOYSA-N	1	0	359.455	1.409	20	30		FDEDRO
C[NH+]1CCC(CNc2c(C#N)cnc3ccccc32)(N2CCOCC2)CC1	ZINC000560828540	545614435	/nfs/dbraw/zinc/61/44/35/545614435.db2.gz	NTTPXUKAYDVUFF-UHFFFAOYSA-N	1	0	365.481	1.737	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H](C)Cc2ccc(O)cc2)CC1	ZINC000561415307	545839610	/nfs/dbraw/zinc/83/96/10/545839610.db2.gz	QGZZXEJJXVBVSE-OAHLLOKOSA-N	1	0	359.470	1.548	20	30		FDEDRO
CC1CC[NH+](Cc2ccc(CNC(=O)NCC(=O)NCC#N)cc2)CC1	ZINC000561446535	545854577	/nfs/dbraw/zinc/85/45/77/545854577.db2.gz	ZVTASPRIPMBSNT-UHFFFAOYSA-N	1	0	357.458	1.357	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCc3ccccc32)CC1	ZINC000561450972	545856104	/nfs/dbraw/zinc/85/61/04/545856104.db2.gz	XRTXMSBHAGISJX-QGZVFWFLSA-N	1	0	355.482	1.989	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CCC2CCOCC2)CC1	ZINC000561453305	545858031	/nfs/dbraw/zinc/85/80/31/545858031.db2.gz	UJMYINPVJRGFLB-UHFFFAOYSA-N	1	0	351.491	1.418	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNS(=O)(=O)CCC(C)(C)C#N)ccn1	ZINC000561998809	546006019	/nfs/dbraw/zinc/00/60/19/546006019.db2.gz	VFFGBCNGBHHJCA-UHFFFAOYSA-N	1	0	354.476	1.381	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1	ZINC000562768534	546259775	/nfs/dbraw/zinc/25/97/75/546259775.db2.gz	UGCAWSDFYUYNAZ-UHFFFAOYSA-N	1	0	362.437	1.953	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]CCNC(=O)c2ccccc2F)cc1	ZINC000562987927	546343132	/nfs/dbraw/zinc/34/31/32/546343132.db2.gz	VBVRCMHBOHZABH-INIZCTEOSA-N	1	0	371.412	1.651	20	30		FDEDRO
Cn1nccc1[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCO1	ZINC000562998341	546348777	/nfs/dbraw/zinc/34/87/77/546348777.db2.gz	GDYYBICBZMMVAM-CRAIPNDOSA-N	1	0	374.466	1.575	20	30		FDEDRO
CC(=O)Nc1ccc(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)cn1	ZINC000563002753	546350449	/nfs/dbraw/zinc/35/04/49/546350449.db2.gz	JKMWBDJSKGAFGN-QGZVFWFLSA-N	1	0	354.410	1.636	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1	ZINC000563057372	546375326	/nfs/dbraw/zinc/37/53/26/546375326.db2.gz	SLPMXEYSDZERTA-IAGOWNOFSA-N	1	0	364.877	1.851	20	30		FDEDRO
N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1	ZINC000563432571	546532967	/nfs/dbraw/zinc/53/29/67/546532967.db2.gz	IERNDFNZXIFGCG-JOYOIKCWSA-N	1	0	361.327	1.272	20	30		FDEDRO
CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000563600860	546607263	/nfs/dbraw/zinc/60/72/63/546607263.db2.gz	GRWCJYJPHFYCAG-INIZCTEOSA-N	1	0	356.474	1.563	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CCC(=O)Nc1ccc2c(c1)OCO2	ZINC000563870150	546715165	/nfs/dbraw/zinc/71/51/65/546715165.db2.gz	MTXDXHYVYDIFFG-UHFFFAOYSA-N	1	0	370.413	1.485	20	30		FDEDRO
C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(c2cnccc2C#N)CC1	ZINC000563928892	546738195	/nfs/dbraw/zinc/73/81/95/546738195.db2.gz	NQTHEHVYGUXPLK-MRXNPFEDSA-N	1	0	356.474	1.659	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)[C@H]1CCC[NH2+]C1	ZINC000564064400	546792905	/nfs/dbraw/zinc/79/29/05/546792905.db2.gz	QRRJLDPNEXUVJX-WDSOQIARSA-N	1	0	355.486	1.794	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)cc1	ZINC000564084549	546801248	/nfs/dbraw/zinc/80/12/48/546801248.db2.gz	MKBKYDPISVJNSD-INIZCTEOSA-N	1	0	363.421	1.219	20	30		FDEDRO
Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)Cn3cnc(C#N)n3)C2)s1	ZINC000564371304	546894795	/nfs/dbraw/zinc/89/47/95/546894795.db2.gz	PGLZRLUPEIRLDQ-AWEZNQCLSA-N	1	0	358.471	1.500	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3[C@@H]4CC[C@H]3CC[N@@H+](C)C4)cc2C1=O	ZINC000564587134	546964420	/nfs/dbraw/zinc/96/44/20/546964420.db2.gz	WLLLWHOQOUIWAY-LSDHHAIUSA-N	1	0	353.422	1.777	20	30		FDEDRO
CC(C)(CC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)S(C)(=O)=O	ZINC000564855663	547069450	/nfs/dbraw/zinc/06/94/50/547069450.db2.gz	DKADGWQAKGEVHV-UHFFFAOYSA-N	1	0	358.485	1.135	20	30		FDEDRO
CCn1cc([C@H]2OCC[C@@H]2[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)cn1	ZINC000564871980	547076435	/nfs/dbraw/zinc/07/64/35/547076435.db2.gz	GSIGRJOIGGYXKV-YSIASYRMSA-N	1	0	370.453	1.829	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+]	ZINC000564975291	547137325	/nfs/dbraw/zinc/13/73/25/547137325.db2.gz	KXRMKAWFGBUBOM-IBGZPJMESA-N	1	0	362.433	1.601	20	30		FDEDRO
N#Cc1cnn2cc(CNC[C@]3(O)CC[N@H+](Cc4ccccc4)C3)cnc12	ZINC000564986745	547146206	/nfs/dbraw/zinc/14/62/06/547146206.db2.gz	UTEBQNVWFIWDJO-HXUWFJFHSA-N	1	0	362.437	1.328	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)ncc1C#N	ZINC000565178930	547237002	/nfs/dbraw/zinc/23/70/02/547237002.db2.gz	KQSMQWKNIAYRFA-MRXNPFEDSA-N	1	0	369.400	1.758	20	30		FDEDRO
C=CCC[C@H](NC(=O)C(=O)NC1C[NH2+]C1)c1ccc(C(F)(F)F)cc1	ZINC000565707707	547450630	/nfs/dbraw/zinc/45/06/30/547450630.db2.gz	NBCYSJFOBOEHQV-AWEZNQCLSA-N	1	0	355.360	1.917	20	30		FDEDRO
Cc1ccccc1C[C@H](CO)[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000565716265	547454291	/nfs/dbraw/zinc/45/42/91/547454291.db2.gz	BGTLVZPRPNYTGR-WOJBJXKFSA-N	1	0	354.450	1.994	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1	ZINC000565818390	547492585	/nfs/dbraw/zinc/49/25/85/547492585.db2.gz	WAUSIPJRKNBMCM-OKILXGFUSA-N	1	0	353.430	2.004	20	30		FDEDRO
COc1ccc([C@@H](CO)C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)cc1	ZINC000566230874	547672030	/nfs/dbraw/zinc/67/20/30/547672030.db2.gz	FPZOYVCPFUOXJR-MSOLQXFVSA-N	1	0	356.422	1.672	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](CO)Cc2ccc(O)cc2)cc1	ZINC000566234248	547673752	/nfs/dbraw/zinc/67/37/52/547673752.db2.gz	KKEJLZKXGYVNKW-INIZCTEOSA-N	1	0	360.435	1.231	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1	ZINC000566832399	547900884	/nfs/dbraw/zinc/90/08/84/547900884.db2.gz	SGOJTPUMNKHCPP-QGZVFWFLSA-N	1	0	357.458	1.990	20	30		FDEDRO
C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCc1ccc(CC#N)cc1	ZINC000567233610	548041958	/nfs/dbraw/zinc/04/19/58/548041958.db2.gz	YUKLONSOCGOPPK-KRWDZBQOSA-N	1	0	356.470	1.605	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2nnc(C)s2)CC1	ZINC000567378605	548098295	/nfs/dbraw/zinc/09/82/95/548098295.db2.gz	CZDWPVYXDLFRNO-LLVKDONJSA-N	1	0	351.476	1.180	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c1	ZINC000567686461	548212537	/nfs/dbraw/zinc/21/25/37/548212537.db2.gz	JCQMQFDKJTVCPM-NVXWUHKLSA-N	1	0	350.440	1.260	20	30		FDEDRO
CC[C@@H](COCC(F)(F)F)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000567697391	548218549	/nfs/dbraw/zinc/21/85/49/548218549.db2.gz	WMDYGYRSKOTKIX-LBPRGKRZSA-N	1	0	365.377	1.674	20	30		FDEDRO
Cn1nccc1N1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000567700385	548219315	/nfs/dbraw/zinc/21/93/15/548219315.db2.gz	KZOGQMKGHPYNEB-IAGOWNOFSA-N	1	0	355.442	1.290	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CCO)CC2CCCCC2)CC1	ZINC000568078710	548389509	/nfs/dbraw/zinc/38/95/09/548389509.db2.gz	CVLFHKYRDUXPEJ-UHFFFAOYSA-N	1	0	365.518	1.544	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)ncc1C#N	ZINC000568106778	548401425	/nfs/dbraw/zinc/40/14/25/548401425.db2.gz	WAGROVRYRHQKBQ-INIZCTEOSA-N	1	0	355.442	1.677	20	30		FDEDRO
CCS(=O)(=O)c1cccc(C[NH2+]C[C@@H]2CNc3c(C#N)cnn3C2)c1	ZINC000568866779	548712187	/nfs/dbraw/zinc/71/21/87/548712187.db2.gz	MNSVJQBCYKTFII-CQSZACIVSA-N	1	0	359.455	1.380	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC[C@@H]1CCC[N@H+](C)C1	ZINC000569205869	548832245	/nfs/dbraw/zinc/83/22/45/548832245.db2.gz	OVNVAOQZWPUQCO-CVEARBPZSA-N	1	0	371.489	1.300	20	30		FDEDRO
C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cnc4c(C#N)cnn4c3)nc2)C1	ZINC000569223523	548841154	/nfs/dbraw/zinc/84/11/54/548841154.db2.gz	YPVBPHXRJWNSPT-QGZVFWFLSA-N	1	0	362.441	1.748	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000569258673	548854493	/nfs/dbraw/zinc/85/44/93/548854493.db2.gz	JEDVCZJNQXAGOP-IAGOWNOFSA-N	1	0	351.491	1.343	20	30		FDEDRO
CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCC2(C#N)CC2)c1	ZINC000569954820	549108330	/nfs/dbraw/zinc/10/83/30/549108330.db2.gz	AHPGHQIMAXZKCZ-UHFFFAOYSA-N	1	0	371.441	1.325	20	30		FDEDRO
C[NH+]1CCC(CNc2ccc3cc(C#N)ccc3n2)(N2CCOCC2)CC1	ZINC000570143607	549172569	/nfs/dbraw/zinc/17/25/69/549172569.db2.gz	QZTIVRRMJHWXQH-UHFFFAOYSA-N	1	0	365.481	2.315	20	30		FDEDRO
N#CCc1ccc(CS(=O)(=O)NC[C@@H]2CCCC[N@H+]2CCO)cc1	ZINC000570206360	549196463	/nfs/dbraw/zinc/19/64/63/549196463.db2.gz	JCUAQOKRVFJUBL-KRWDZBQOSA-N	1	0	351.472	1.019	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000570236842	549207883	/nfs/dbraw/zinc/20/78/83/549207883.db2.gz	JCISNDNKTGCVAR-SPUZQDLCSA-N	1	0	351.491	1.645	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+](CCC)[C@@H]1CC(=O)N(C)C1=O	ZINC000571265756	549583883	/nfs/dbraw/zinc/58/38/83/549583883.db2.gz	OFVQCTGJWBYLIX-DLBZAZTESA-N	1	0	360.454	1.624	20	30		FDEDRO
C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1	ZINC000571585953	549699110	/nfs/dbraw/zinc/69/91/10/549699110.db2.gz	FYPJKNPXBLEFIF-QGZVFWFLSA-N	1	0	364.471	1.039	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)NCc2cccc(C#N)c2)(N2CCOCC2)CC1	ZINC000572006197	549822513	/nfs/dbraw/zinc/82/25/13/549822513.db2.gz	PWAVCSBDALYBHT-UHFFFAOYSA-N	1	0	371.485	1.154	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)c1cn(C)c2c(cnn2C)c1=O)C(C)C	ZINC000572302848	549885981	/nfs/dbraw/zinc/88/59/81/549885981.db2.gz	RBLKBSKYVHBSPE-QGZVFWFLSA-N	1	0	371.485	1.700	20	30		FDEDRO
N#Cc1ncn(CC[NH2+]CCC(=O)Nc2cccc(Br)c2)n1	ZINC000572476825	549922854	/nfs/dbraw/zinc/92/28/54/549922854.db2.gz	MQRYPAPXTSYKPI-UHFFFAOYSA-N	1	0	363.219	1.531	20	30		FDEDRO
C[C@H](NC(=O)C(=O)Nc1cccc(C#N)n1)[C@H](c1ccccc1)[NH+](C)C	ZINC000572840622	550006411	/nfs/dbraw/zinc/00/64/11/550006411.db2.gz	JXVCLFUDYKGXGA-SUMWQHHRSA-N	1	0	351.410	1.699	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cc1F	ZINC000573091045	550061950	/nfs/dbraw/zinc/06/19/50/550061950.db2.gz	UPFQHBNMNDDRGO-SFHVURJKSA-N	1	0	366.396	1.398	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(Cc3ccccc3)[nH]n2)c1C#N	ZINC000574792351	550371451	/nfs/dbraw/zinc/37/14/51/550371451.db2.gz	WTMJCPHVCUSWIX-UHFFFAOYSA-N	1	0	363.425	2.000	20	30		FDEDRO
N#Cc1cc(CN2CCOCC2)cn(Cc2nc3ccccc3o2)c1=O	ZINC000575003343	550407410	/nfs/dbraw/zinc/40/74/10/550407410.db2.gz	LGELEQQEJLNITL-UHFFFAOYSA-N	1	0	350.378	1.742	20	30		FDEDRO
CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCc1cccc(C#N)c1	ZINC000575200775	550443432	/nfs/dbraw/zinc/44/34/32/550443432.db2.gz	KCUWQDIYSBQUHZ-SFHVURJKSA-N	1	0	356.470	1.801	20	30		FDEDRO
CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-]	ZINC000575409541	550461066	/nfs/dbraw/zinc/46/10/66/550461066.db2.gz	PNUNCTFJMHBJHS-KBPBESRZSA-N	1	0	352.416	1.416	20	30		FDEDRO
C=CCOc1cccc(C[N@@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1	ZINC000577709232	550685460	/nfs/dbraw/zinc/68/54/60/550685460.db2.gz	DNXZMUGMYGEHLQ-VQTJNVASSA-N	1	0	370.497	1.972	20	30		FDEDRO
COc1ccc([C@H]2OCC[C@@H]2[NH2+]C[C@H](O)COc2ccc(C#N)cc2)cn1	ZINC000577743326	550690078	/nfs/dbraw/zinc/69/00/78/550690078.db2.gz	LYWUKTIVKVLTMT-XKGZKEIXSA-N	1	0	369.421	1.821	20	30		FDEDRO
COc1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1OC	ZINC000578097590	550727999	/nfs/dbraw/zinc/72/79/99/550727999.db2.gz	CLCMKQTZTOXDRE-UHFFFAOYSA-N	1	0	361.423	1.534	20	30		FDEDRO
CCOC(=O)c1csc(CC[NH2+]Cc2cnc3c(C#N)cnn3c2)n1	ZINC000578132688	550731476	/nfs/dbraw/zinc/73/14/76/550731476.db2.gz	SAVNIDWBEKBTMQ-UHFFFAOYSA-N	1	0	356.411	1.566	20	30		FDEDRO
C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(S(=O)(=O)CCC(C)(C)C#N)CC1	ZINC000578680648	550790308	/nfs/dbraw/zinc/79/03/08/550790308.db2.gz	YQCOOLGQGJVCGW-IRXDYDNUSA-N	1	0	370.563	1.746	20	30		FDEDRO
CN(C)C(=O)C[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccccc1	ZINC000578920835	550815605	/nfs/dbraw/zinc/81/56/05/550815605.db2.gz	AECUDLBFCJSAIT-IBGZPJMESA-N	1	0	364.449	1.984	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N(CCn2ccnc2)C2CCSCC2)o1	ZINC000579259286	550853462	/nfs/dbraw/zinc/85/34/62/550853462.db2.gz	QDMRDNNCQVIQAD-UHFFFAOYSA-N	1	0	366.468	1.934	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC1CCC(Oc2ncccc2C#N)CC1	ZINC000579333052	550860925	/nfs/dbraw/zinc/86/09/25/550860925.db2.gz	NPAMZBIHOKMREY-LHUBUQBQSA-N	1	0	357.458	1.940	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000579465583	550876269	/nfs/dbraw/zinc/87/62/69/550876269.db2.gz	PBJFJNYRDRHKEC-UFYCRDLUSA-N	1	0	372.513	1.865	20	30		FDEDRO
N#CC1(c2ccccn2)CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CC1	ZINC000579573210	550887377	/nfs/dbraw/zinc/88/73/77/550887377.db2.gz	OTZHSKATSGEEEN-UHFFFAOYSA-N	1	0	369.469	1.243	20	30		FDEDRO
C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1	ZINC000579695265	550900483	/nfs/dbraw/zinc/90/04/83/550900483.db2.gz	UTRQRYHNJGRUJZ-HNNXBMFYSA-N	1	0	363.458	1.087	20	30		FDEDRO
C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2ccc(C#N)c(N)n2)CC1	ZINC000579852561	550917468	/nfs/dbraw/zinc/91/74/68/550917468.db2.gz	PWDMLDGJKLLRNU-UHFFFAOYSA-N	1	0	358.490	1.456	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCc3nc(C)nn3C2)c(OC)c1	ZINC000580231001	550957490	/nfs/dbraw/zinc/95/74/90/550957490.db2.gz	YPMTXCHQYPSPOC-IRXDYDNUSA-N	1	0	372.469	1.668	20	30		FDEDRO
C[NH+](C)CCOc1cnccc1CNC(=O)C(=O)Nc1sccc1C#N	ZINC000580338425	550969213	/nfs/dbraw/zinc/96/92/13/550969213.db2.gz	YRVXHWCDBJOSPE-UHFFFAOYSA-N	1	0	373.438	1.210	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N(C3CC3)[C@@H]3CC[NH2+]C3)C2=O)cc1	ZINC000580420333	550980283	/nfs/dbraw/zinc/98/02/83/550980283.db2.gz	RKWHKRUZOWYSPT-MSOLQXFVSA-N	1	0	367.453	1.590	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1	ZINC000580526248	550990985	/nfs/dbraw/zinc/99/09/85/550990985.db2.gz	TTYPPGIJCDDVBV-OTWHNJEPSA-N	1	0	359.470	1.786	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1	ZINC000580759999	551015281	/nfs/dbraw/zinc/01/52/81/551015281.db2.gz	CKHHKHXEZXEHKG-IBGZPJMESA-N	1	0	355.482	1.940	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2C)c(OC)c1	ZINC000581662964	551118764	/nfs/dbraw/zinc/11/87/64/551118764.db2.gz	IQJGTKGTKAQTRR-CWRNSKLLSA-N	1	0	369.483	1.186	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2C)c(OC)c1	ZINC000581662965	551118978	/nfs/dbraw/zinc/11/89/78/551118978.db2.gz	IQJGTKGTKAQTRR-NUEKZKHPSA-N	1	0	369.483	1.186	20	30		FDEDRO
C=CCN(CC1CCCCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](CCOC)C1	ZINC000581743752	551130656	/nfs/dbraw/zinc/13/06/56/551130656.db2.gz	KVXZPWCRIWJWBA-KRWDZBQOSA-N	1	0	351.491	1.418	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1	ZINC000581881833	551144589	/nfs/dbraw/zinc/14/45/89/551144589.db2.gz	NJRVKTLSAYBLGY-JSGCOSHPSA-N	1	0	363.849	1.933	20	30		FDEDRO
N#Cc1cccc(NC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1	ZINC000581942223	551153316	/nfs/dbraw/zinc/15/33/16/551153316.db2.gz	DYVMNORDMRDQTR-IBGZPJMESA-N	1	0	351.410	1.712	20	30		FDEDRO
CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(C#N)n1	ZINC000582300222	551204138	/nfs/dbraw/zinc/20/41/38/551204138.db2.gz	LXYQBFKQNPUKMJ-ZBFHGGJFSA-N	1	0	357.458	1.909	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]CCCc2nnc3n2CCCCC3)cc1	ZINC000582481775	551230272	/nfs/dbraw/zinc/23/02/72/551230272.db2.gz	GTVOHYJDANFADL-KRWDZBQOSA-N	1	0	369.469	1.838	20	30		FDEDRO
N#Cc1cc2c(n(CCOCCO)c1=O)CC[N@H+](Cc1ccccc1)C2	ZINC000582677242	551255287	/nfs/dbraw/zinc/25/52/87/551255287.db2.gz	MKNYRKXGMLLHGZ-UHFFFAOYSA-N	1	0	353.422	1.287	20	30		FDEDRO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC([NH2+]CCOC)CC1	ZINC000582852065	551273857	/nfs/dbraw/zinc/27/38/57/551273857.db2.gz	ZARNUNMMAIWLBL-IBGZPJMESA-N	1	0	373.497	1.517	20	30		FDEDRO
Cn1nnc2cc(C[NH2+][C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc21	ZINC000583000011	551289459	/nfs/dbraw/zinc/28/94/59/551289459.db2.gz	PKPJSJGAUKGJEF-QGZVFWFLSA-N	1	0	360.421	1.731	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(S(=O)(=O)CCC(C)(C)C#N)CC1	ZINC000583840046	551409255	/nfs/dbraw/zinc/40/92/55/551409255.db2.gz	ILXCYSWEPHTSTM-UHFFFAOYSA-N	1	0	352.460	1.482	20	30		FDEDRO
CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000584106995	551448112	/nfs/dbraw/zinc/44/81/12/551448112.db2.gz	AOTYATLTCKENEV-ROUUACIJSA-N	1	0	369.469	1.789	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1	ZINC000584336078	551481628	/nfs/dbraw/zinc/48/16/28/551481628.db2.gz	ABVSCXXILYYMCP-MOPGFXCFSA-N	1	0	359.470	1.786	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1Cl	ZINC000584593534	551523109	/nfs/dbraw/zinc/52/31/09/551523109.db2.gz	CZXPVZNXTDHLIG-ZDUSSCGKSA-N	1	0	369.874	1.588	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1	ZINC000584828042	551555263	/nfs/dbraw/zinc/55/52/63/551555263.db2.gz	KQCWCKJTPYNFFT-ROUUACIJSA-N	1	0	359.470	1.462	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1	ZINC000585725576	551588352	/nfs/dbraw/zinc/58/83/52/551588352.db2.gz	XFDMWLLTDZWYDG-OALUTQOASA-N	1	0	366.465	1.816	20	30		FDEDRO
CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2cnc3ccc(C#N)cn23)cn1	ZINC000585767387	551595200	/nfs/dbraw/zinc/59/52/00/551595200.db2.gz	HBSRBWNJQQRFLI-APWZRJJASA-N	1	0	363.425	1.532	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1)c1cccc(C#N)c1	ZINC000586827881	551623113	/nfs/dbraw/zinc/62/31/13/551623113.db2.gz	ZOAKXVSJZYWIFU-JKSUJKDBSA-N	1	0	356.470	1.972	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCc2ccc(C#N)cc2F)C1	ZINC000586831429	551623678	/nfs/dbraw/zinc/62/36/78/551623678.db2.gz	PXLOFXZFZXEHNZ-OAHLLOKOSA-N	1	0	360.433	1.550	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1)c1cccc(C#N)c1	ZINC000586871232	551628968	/nfs/dbraw/zinc/62/89/68/551628968.db2.gz	KMROAPDARVERAM-SYJJWHGVSA-N	1	0	356.470	1.972	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)cc1	ZINC000588212841	551658502	/nfs/dbraw/zinc/65/85/02/551658502.db2.gz	XNDSDZZVPQUAJA-ZWKOTPCHSA-N	1	0	357.454	1.437	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCCN1c1ccc(C#N)cc1	ZINC000589527526	551735055	/nfs/dbraw/zinc/73/50/55/551735055.db2.gz	LXDBUHVYRKIPFG-HXUWFJFHSA-N	1	0	371.529	1.869	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1N1CCN(C(=O)CC2(C#N)CC2)CC1	ZINC000590267415	551767958	/nfs/dbraw/zinc/76/79/58/551767958.db2.gz	MHPNGYCJXIIDAO-UHFFFAOYSA-N	1	0	356.470	1.969	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(O)cc(=O)[nH]3)CC2)cc1	ZINC000590415221	551781875	/nfs/dbraw/zinc/78/18/75/551781875.db2.gz	POTHKZSTHZJGSY-UHFFFAOYSA-N	1	0	352.394	1.713	20	30		FDEDRO
C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1	ZINC000590631875	551800112	/nfs/dbraw/zinc/80/01/12/551800112.db2.gz	CBEGJOAJDQFSCD-KGLIPLIRSA-N	1	0	360.845	1.775	20	30		FDEDRO
C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1	ZINC000590765347	551814761	/nfs/dbraw/zinc/81/47/61/551814761.db2.gz	NIZFCWVKKMDEAS-ZQIUZPCESA-N	1	0	372.856	1.727	20	30		FDEDRO
CC[NH+]1CCN(CC(C)(C)NC(=O)NCc2ccc(C#N)cc2F)CC1	ZINC000590922925	551826946	/nfs/dbraw/zinc/82/69/46/551826946.db2.gz	ISHHXNKOZDNJLZ-UHFFFAOYSA-N	1	0	361.465	1.913	20	30		FDEDRO
COC(=O)[C@H]1CN(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC[N@H+](C)C1	ZINC000591189472	551850337	/nfs/dbraw/zinc/85/03/37/551850337.db2.gz	GMYBQEJPQWWFAU-NVXWUHKLSA-N	1	0	356.426	1.292	20	30		FDEDRO
CC[C@H]1CN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC[C@H]1[NH3+]	ZINC000591297481	551857916	/nfs/dbraw/zinc/85/79/16/551857916.db2.gz	KQHFACMHWMDUSR-SWLSCSKDSA-N	1	0	356.405	2.474	20	30		FDEDRO
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)n1	ZINC000591297794	551857972	/nfs/dbraw/zinc/85/79/72/551857972.db2.gz	WBBDDKUTPUEGAX-BETUJISGSA-N	1	0	356.817	2.080	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1	ZINC000591304483	551859431	/nfs/dbraw/zinc/85/94/31/551859431.db2.gz	GQZUXSAUARFCAL-HOCLYGCPSA-N	1	0	356.426	1.494	20	30		FDEDRO
C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000591306156	551859839	/nfs/dbraw/zinc/85/98/39/551859839.db2.gz	CIAPUWSQRNSXMY-ZFWWWQNUSA-N	1	0	362.405	1.466	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)Nc3cccc(C[NH3+])c3)C2=O)cc1	ZINC000591310251	551860588	/nfs/dbraw/zinc/86/05/88/551860588.db2.gz	QFROFQWLQWCDCJ-SFHVURJKSA-N	1	0	363.421	1.940	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)CC2)nc1	ZINC000591350580	551864869	/nfs/dbraw/zinc/86/48/69/551864869.db2.gz	RKQHMSUYYQPGQJ-RYQLBKOJSA-N	1	0	368.485	1.691	20	30		FDEDRO
N#Cc1ccc(CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(F)c1	ZINC000591350882	551864936	/nfs/dbraw/zinc/86/49/36/551864936.db2.gz	LDDJOEBIXVJNLJ-AWEZNQCLSA-N	1	0	373.354	1.333	20	30		FDEDRO
C[C@H](NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])c1cccc(C#N)c1	ZINC000591353622	551865206	/nfs/dbraw/zinc/86/52/06/551865206.db2.gz	GEPMKRARONNQLY-YOEHRIQHSA-N	1	0	357.458	1.648	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(Cn3cncn3)cc2)cc1	ZINC000591723944	551903511	/nfs/dbraw/zinc/90/35/11/551903511.db2.gz	TXBJZZADSCPOEA-LJQANCHMSA-N	1	0	363.421	1.728	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1	ZINC000591727805	551903968	/nfs/dbraw/zinc/90/39/68/551903968.db2.gz	UBDJWLSHLDETJX-GOSISDBHSA-N	1	0	367.453	1.630	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]C1CCN(C(=O)c2ccccc2F)CC1	ZINC000591726081	551903987	/nfs/dbraw/zinc/90/39/87/551903987.db2.gz	JXTLCEDGLUDRLT-INIZCTEOSA-N	1	0	362.449	1.226	20	30		FDEDRO
COc1cccc2c1OC[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C2	ZINC000591733514	551904487	/nfs/dbraw/zinc/90/44/87/551904487.db2.gz	BNWYSOXTLANXBU-MRXNPFEDSA-N	1	0	372.446	1.934	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC[C@H](O)CN(C)CCC#N)c(C)c2)CC1	ZINC000591773502	551907784	/nfs/dbraw/zinc/90/77/84/551907784.db2.gz	CRNCXMSNSLNIGN-IBGZPJMESA-N	1	0	359.518	1.755	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)CC1	ZINC000592069512	551935781	/nfs/dbraw/zinc/93/57/81/551935781.db2.gz	TVBMPMGJIUBURR-AWEZNQCLSA-N	1	0	351.472	1.120	20	30		FDEDRO
Cc1c(Br)cc(C#N)c(=O)n1Cc1nc(C(C)(C)[NH3+])no1	ZINC000592166815	551952372	/nfs/dbraw/zinc/95/23/72/551952372.db2.gz	MMHMFESRYAGZFK-UHFFFAOYSA-N	1	0	352.192	1.416	20	30		FDEDRO
CCCN(C(=O)C(=O)Nc1cc(C#N)ccc1OCC)[C@@H]1CC[N@H+](C)C1	ZINC000592300320	551974781	/nfs/dbraw/zinc/97/47/81/551974781.db2.gz	LMCGINUZPAFGHU-OAHLLOKOSA-N	1	0	358.442	1.838	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C(=O)N(C)C)c2)CC1	ZINC000592359046	551984237	/nfs/dbraw/zinc/98/42/37/551984237.db2.gz	BSNSGNLSVVRUBW-UHFFFAOYSA-N	1	0	372.469	1.484	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc1Br	ZINC000592389770	551987987	/nfs/dbraw/zinc/98/79/87/551987987.db2.gz	IKTRKMSUPPHIJI-UWVGGRQHSA-N	1	0	362.224	1.299	20	30		FDEDRO
C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	ZINC000592428528	551994121	/nfs/dbraw/zinc/99/41/21/551994121.db2.gz	WFZXBCUSZCOLDO-QWHCGFSZSA-N	1	0	367.409	1.926	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCc3c2cnn3CCO)cc1	ZINC000592429916	551994598	/nfs/dbraw/zinc/99/45/98/551994598.db2.gz	UPDMYPUGBIPDPM-CRAIPNDOSA-N	1	0	356.426	1.154	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2cccc(NC(=O)COC)c2)CC1	ZINC000592484771	552000344	/nfs/dbraw/zinc/00/03/44/552000344.db2.gz	PQCHKZCIBSLJHV-UHFFFAOYSA-N	1	0	360.458	1.721	20	30		FDEDRO
N#Cc1cnn2c1NC[C@@H](C[NH+]1CC(n3cc(-c4ccccc4)nn3)C1)C2	ZINC000592504657	552002982	/nfs/dbraw/zinc/00/29/82/552002982.db2.gz	CUNWWKUTDMQJNI-AWEZNQCLSA-N	1	0	360.425	1.612	20	30		FDEDRO
CC(C)N(C(=O)Cn1cnc(C#N)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000592874520	552037795	/nfs/dbraw/zinc/03/77/95/552037795.db2.gz	STGFMVYVZPRWRQ-QGZVFWFLSA-N	1	0	352.442	1.661	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCCN1c1ccc(C#N)cc1)CCO2	ZINC000592899425	552040749	/nfs/dbraw/zinc/04/07/49/552040749.db2.gz	RBBZLVYYBBRKHB-LJQANCHMSA-N	1	0	368.481	1.850	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCC([C@@H](C)CO)CC2)CC1	ZINC000593083424	552059358	/nfs/dbraw/zinc/05/93/58/552059358.db2.gz	NDFZSCLHENNIGZ-WMZOPIPTSA-N	1	0	350.507	1.019	20	30		FDEDRO
CN(C)C(=O)CCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593311234	552087460	/nfs/dbraw/zinc/08/74/60/552087460.db2.gz	TVKIWMCHSIATII-UHFFFAOYSA-N	1	0	357.458	1.300	20	30		FDEDRO
CN1CCC[C@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1=O	ZINC000593372223	552097045	/nfs/dbraw/zinc/09/70/45/552097045.db2.gz	YUIKRDVYUUXEHH-SFHVURJKSA-N	1	0	369.469	1.443	20	30		FDEDRO
C[NH+](C)CCN1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1=O	ZINC000593486363	552116230	/nfs/dbraw/zinc/11/62/30/552116230.db2.gz	UIYRKVUTSJJYEU-UHFFFAOYSA-N	1	0	368.397	1.225	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N(CCO)CC3CC3)CC2)c1	ZINC000593512688	552119928	/nfs/dbraw/zinc/11/99/28/552119928.db2.gz	SECPSKNGIXQZLQ-UHFFFAOYSA-N	1	0	356.470	1.937	20	30		FDEDRO
COCCCN(CCO)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593513230	552120013	/nfs/dbraw/zinc/12/00/13/552120013.db2.gz	FVKYYLWBGMOJEB-UHFFFAOYSA-N	1	0	374.485	1.563	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@@H](CO)CC3CC3)CC2)c1	ZINC000593514123	552120626	/nfs/dbraw/zinc/12/06/26/552120626.db2.gz	QCGCJMABQCDLNF-LJQANCHMSA-N	1	0	356.470	1.983	20	30		FDEDRO
CC(=O)N[C@H]1CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000593515483	552120797	/nfs/dbraw/zinc/12/07/97/552120797.db2.gz	JVTHGSIXHVJPJQ-IBGZPJMESA-N	1	0	369.469	1.443	20	30		FDEDRO
C[NH+](C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccsc1C#N	ZINC000593540175	552127258	/nfs/dbraw/zinc/12/72/58/552127258.db2.gz	MSYAHXLUNHNVCT-UHFFFAOYSA-N	1	0	373.500	1.514	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N(C)CCC[NH+]1CCCC1	ZINC000593590669	552145688	/nfs/dbraw/zinc/14/56/88/552145688.db2.gz	KYORHVHOFDPICL-UHFFFAOYSA-N	1	0	365.455	1.451	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1	ZINC000593784302	552196765	/nfs/dbraw/zinc/19/67/65/552196765.db2.gz	MJCQEMHNHONWKK-QZTJIDSGSA-N	1	0	372.469	1.119	20	30		FDEDRO
C[C@@H]1COCCN1C1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000593990269	552235232	/nfs/dbraw/zinc/23/52/32/552235232.db2.gz	AADGXDDLWODPEA-YLJYHZDGSA-N	1	0	373.497	1.677	20	30		FDEDRO
CC1(C)C(=O)N[C@@H]1C1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000593993510	552235779	/nfs/dbraw/zinc/23/57/79/552235779.db2.gz	USGQNYIWGUEZSB-PKOBYXMFSA-N	1	0	371.481	1.729	20	30		FDEDRO
Cc1cnc(OC2CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)nc1	ZINC000594019263	552238894	/nfs/dbraw/zinc/23/88/94/552238894.db2.gz	IFFNUNFBYCWNRU-KRWDZBQOSA-N	1	0	368.437	1.940	20	30		FDEDRO
COCC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C[C@H](O)C(F)(F)F	ZINC000594018065	552239212	/nfs/dbraw/zinc/23/92/12/552239212.db2.gz	QGLQWOUYKQMUBW-AWEZNQCLSA-N	1	0	359.348	1.758	20	30		FDEDRO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000594027527	552240964	/nfs/dbraw/zinc/24/09/64/552240964.db2.gz	QNJHFXVSKMTXRH-RWMBFGLXSA-N	1	0	360.483	1.186	20	30		FDEDRO
C[C@H](O)C[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C1CC1	ZINC000594065797	552245813	/nfs/dbraw/zinc/24/58/13/552245813.db2.gz	UVZDYEJYCJZHLZ-GOEBONIOSA-N	1	0	362.499	1.302	20	30		FDEDRO
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000594246927	552270337	/nfs/dbraw/zinc/27/03/37/552270337.db2.gz	BQVGMNVHPRUCQM-BPQIPLTHSA-N	1	0	369.469	1.693	20	30		FDEDRO
CCCNS(=O)(=O)c1ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc1	ZINC000594429746	552308764	/nfs/dbraw/zinc/30/87/64/552308764.db2.gz	WCMMKXYEBUYQEN-OAHLLOKOSA-N	1	0	352.460	1.725	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1	ZINC000594432078	552309350	/nfs/dbraw/zinc/30/93/50/552309350.db2.gz	XEKBOZUFYNQNPY-MSOLQXFVSA-N	1	0	372.469	1.623	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1	ZINC000594437364	552309717	/nfs/dbraw/zinc/30/97/17/552309717.db2.gz	VUPZSJIILUXFIN-HNNXBMFYSA-N	1	0	354.458	1.618	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N[C@H](Cc1ccccc1)CN1CCOCC1	ZINC000594439402	552310317	/nfs/dbraw/zinc/31/03/17/552310317.db2.gz	VIPWLXNZMQMZRA-RTBURBONSA-N	1	0	358.486	1.457	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N[C@H](C(=O)N=c1cc[nH][nH]1)c1ccccc1	ZINC000594439465	552310428	/nfs/dbraw/zinc/31/04/28/552310428.db2.gz	WCXZBEKRZGFAQL-HOCLYGCPSA-N	1	0	354.414	1.617	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1	ZINC000594446068	552312219	/nfs/dbraw/zinc/31/22/19/552312219.db2.gz	PCEAFXPSNQTPBX-MSOLQXFVSA-N	1	0	362.449	1.726	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1	ZINC000594447229	552312264	/nfs/dbraw/zinc/31/22/64/552312264.db2.gz	WALYQDKNFBIYGS-CVEARBPZSA-N	1	0	370.519	1.251	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O	ZINC000594445614	552312299	/nfs/dbraw/zinc/31/22/99/552312299.db2.gz	JCNRHFPAVUXQAD-KBPBESRZSA-N	1	0	350.369	1.598	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H]([NH2+]C3CCN([C@@H]4CCOC4)CC3)C2=O)cc1	ZINC000594500290	552326632	/nfs/dbraw/zinc/32/66/32/552326632.db2.gz	MGXZNVRZDWZNEJ-UXHICEINSA-N	1	0	368.481	1.502	20	30		FDEDRO
CC(=O)NCc1ccc(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)cc1	ZINC000594717972	552362906	/nfs/dbraw/zinc/36/29/06/552362906.db2.gz	JGEQJECFQQXKNX-IBGZPJMESA-N	1	0	353.422	1.724	20	30		FDEDRO
CS(=O)(=O)CC1(CC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000594718867	552363079	/nfs/dbraw/zinc/36/30/79/552363079.db2.gz	WSBYRJZTTJYJTE-HNNXBMFYSA-N	1	0	352.456	1.102	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NCC1CC[NH+](Cc2ccncc2)CC1	ZINC000594832521	552401555	/nfs/dbraw/zinc/40/15/55/552401555.db2.gz	ZGKAQODIXVIMDS-OAHLLOKOSA-N	1	0	365.503	1.362	20	30		FDEDRO
Cn1cc(C[NH2+]C[C@]2(OCCO)CCOC2)c(-c2ccc(C#N)cc2)n1	ZINC000594975290	552429815	/nfs/dbraw/zinc/42/98/15/552429815.db2.gz	PWNHATHRFGRGCU-LJQANCHMSA-N	1	0	356.426	1.216	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+]C[C@@]3(OCCO)CCOC3)CC2)cc1	ZINC000594974486	552429964	/nfs/dbraw/zinc/42/99/64/552429964.db2.gz	KFEMZZCFYZFOJO-FQEVSTJZSA-N	1	0	359.470	1.280	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cncc2c1CCCC2	ZINC000595004483	552436278	/nfs/dbraw/zinc/43/62/78/552436278.db2.gz	SPTRBJGHCWFMGN-UHFFFAOYSA-N	1	0	357.458	1.593	20	30		FDEDRO
CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@](C)(C#N)C3)C2)CC1	ZINC000595145701	552467045	/nfs/dbraw/zinc/46/70/45/552467045.db2.gz	DRLXAYDDKFFCCS-FXAWDEMLSA-N	1	0	360.502	1.719	20	30		FDEDRO
C[C@H]1CCN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)CC[N@@H+]1Cc1ccccc1	ZINC000595173142	552477243	/nfs/dbraw/zinc/47/72/43/552477243.db2.gz	WOHWEKQUDOXNIR-LAUBAEHRSA-N	1	0	368.481	1.872	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)C1	ZINC000595194897	552486070	/nfs/dbraw/zinc/48/60/70/552486070.db2.gz	WCJNARGYQGDYHV-HNNXBMFYSA-N	1	0	374.441	1.122	20	30		FDEDRO
C[C@]1(C#N)CCN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCSCC2)C1	ZINC000595207809	552490508	/nfs/dbraw/zinc/49/05/08/552490508.db2.gz	LWUMSWJHBSAKQX-LJQANCHMSA-N	1	0	372.494	1.936	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)Nc1cccc(CN2CCCS2(=O)=O)c1	ZINC000595248877	552504649	/nfs/dbraw/zinc/50/46/49/552504649.db2.gz	CSJFNHUCLZKCMX-INIZCTEOSA-N	1	0	364.471	1.572	20	30		FDEDRO
N#Cc1ccc(CC[NH+]2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1	ZINC000595299649	552516076	/nfs/dbraw/zinc/51/60/76/552516076.db2.gz	XCLNSYFBUKACCQ-UHFFFAOYSA-N	1	0	370.478	1.570	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2F)CCO1	ZINC000595404961	552551490	/nfs/dbraw/zinc/55/14/90/552551490.db2.gz	PPMWJEYLFUXWME-CQSZACIVSA-N	1	0	355.435	1.429	20	30		FDEDRO
CC(C)[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2C#N)CC[NH2+]1	ZINC000595412962	552554420	/nfs/dbraw/zinc/55/44/20/552554420.db2.gz	PXXZNTIJKNIQRT-ZDUSSCGKSA-N	1	0	372.288	1.939	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)N3CCC[C@H](CC#N)C3)ccn2)CC1	ZINC000595445274	552561247	/nfs/dbraw/zinc/56/12/47/552561247.db2.gz	WNJRRDQGVCUBCJ-MRXNPFEDSA-N	1	0	356.474	1.669	20	30		FDEDRO
N#CCN1CCC(NC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC1	ZINC000595497915	552572915	/nfs/dbraw/zinc/57/29/15/552572915.db2.gz	CHARMMGUEWHEOK-UHFFFAOYSA-N	1	0	370.501	1.581	20	30		FDEDRO
C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CCC[C@@H](CC#N)C1	ZINC000595611922	552592589	/nfs/dbraw/zinc/59/25/89/552592589.db2.gz	PCTXMOKFZZHXCO-HOTGVXAUSA-N	1	0	358.442	1.578	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCc1ccc(C#N)cc1	ZINC000595690683	552603211	/nfs/dbraw/zinc/60/32/11/552603211.db2.gz	HFECFDCGDNMRQT-INIZCTEOSA-N	1	0	356.470	1.995	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1	ZINC000595806218	552618184	/nfs/dbraw/zinc/61/81/84/552618184.db2.gz	JQHZSNZEVQNFCA-OAHLLOKOSA-N	1	0	372.473	1.740	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](N3CCC([N@@H+]4CC[C@H](O)C4)CC3)C2=O)cc1	ZINC000595862835	552625142	/nfs/dbraw/zinc/62/51/42/552625142.db2.gz	HNPRMCMPDJNYPJ-RBUKOAKNSA-N	1	0	354.454	1.195	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC000595863202	552625171	/nfs/dbraw/zinc/62/51/71/552625171.db2.gz	KZLJRZXTLWZKCZ-PXNSSMCTSA-N	1	0	370.497	1.853	20	30		FDEDRO
N#CCCN(C(=O)CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccccc1	ZINC000595865164	552625494	/nfs/dbraw/zinc/62/54/94/552625494.db2.gz	GCJGXPDQKMPOEQ-LJQANCHMSA-N	1	0	356.470	1.464	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(C[C@@H](O)COc2ccc(CC#N)cc2)CCO1	ZINC000595904527	552631402	/nfs/dbraw/zinc/63/14/02/552631402.db2.gz	FDSKITWAAKOAIV-QUCCMNQESA-N	1	0	361.486	1.535	20	30		FDEDRO
C=CC[C@]1(C(=O)NC[C@H](Cc2ccccc2OC)C(=O)OC)CCC[NH2+]1	ZINC000595955718	552637998	/nfs/dbraw/zinc/63/79/98/552637998.db2.gz	HKBSVIYIUMGRLN-OXJNMPFZSA-N	1	0	360.454	1.841	20	30		FDEDRO
N#Cc1sccc1N1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CC1	ZINC000595959801	552638622	/nfs/dbraw/zinc/63/86/22/552638622.db2.gz	GJFLWKKRSXFFLI-CYBMUJFWSA-N	1	0	370.482	1.615	20	30		FDEDRO
CC1(C)C[NH2+][C@@H]1C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595970786	552640286	/nfs/dbraw/zinc/64/02/86/552640286.db2.gz	NRPTZMRIEKCXEE-GOSISDBHSA-N	1	0	364.453	1.595	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CCN(C(=O)C[NH2+]CC4CC4)CC3)n[nH]2)cc1	ZINC000595972685	552640374	/nfs/dbraw/zinc/64/03/74/552640374.db2.gz	XQONLUKGMCYLCZ-UHFFFAOYSA-N	1	0	364.453	1.597	20	30		FDEDRO
CC(C)[NH+](CCNC(=O)C1CCN(c2cc(C#N)cnn2)CC1)C(C)C	ZINC000596089632	552654082	/nfs/dbraw/zinc/65/40/82/552654082.db2.gz	HHKGYFKXTQWVEY-UHFFFAOYSA-N	1	0	358.490	1.800	20	30		FDEDRO
C[C@]1(NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC[NH2+]C1	ZINC000596129637	552658619	/nfs/dbraw/zinc/65/86/19/552658619.db2.gz	VKEUETSCJLGVCQ-IBGZPJMESA-N	1	0	365.393	1.552	20	30		FDEDRO
Cn1c(N2CCC3(CCC([NH+](C)C)CC3)CC2)c(C#N)c(=O)n(C)c1=O	ZINC000596255761	552668887	/nfs/dbraw/zinc/66/88/87/552668887.db2.gz	TWYYBKKQFLGXMX-UHFFFAOYSA-N	1	0	359.474	1.046	20	30		FDEDRO
N#Cc1cc([N+](=O)[O-])cnc1NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1	ZINC000596424200	552677912	/nfs/dbraw/zinc/67/79/12/552677912.db2.gz	RCVUMBPWCFMCJQ-QGZVFWFLSA-N	1	0	353.382	2.040	20	30		FDEDRO
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000596469457	552682111	/nfs/dbraw/zinc/68/21/11/552682111.db2.gz	YLMKGPNPKFMORE-UHFFFAOYSA-N	1	0	362.478	1.598	20	30		FDEDRO
CO[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@H]1CCOC1	ZINC000596668631	552699248	/nfs/dbraw/zinc/69/92/48/552699248.db2.gz	SNRRLBONKGHNFH-RBUKOAKNSA-N	1	0	374.485	1.683	20	30		FDEDRO
CC[NH+]1CCN(CC(C)(C)NC(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000596669495	552699591	/nfs/dbraw/zinc/69/95/91/552699591.db2.gz	MVUHIQCOWFGHSD-UHFFFAOYSA-N	1	0	357.502	1.816	20	30		FDEDRO
COC(=O)C1CC[NH+](CCCNC(=O)CC2(C#N)CCOCC2)CC1	ZINC000596805672	552712763	/nfs/dbraw/zinc/71/27/63/552712763.db2.gz	SUNJPXAIMXGLTH-UHFFFAOYSA-N	1	0	351.447	1.088	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1	ZINC000596830398	552715478	/nfs/dbraw/zinc/71/54/78/552715478.db2.gz	NIDGRZYMGPBQPD-CYBMUJFWSA-N	1	0	356.405	2.489	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)NCC1(C#N)CCCCC1)c1ccccc1	ZINC000597165019	552756160	/nfs/dbraw/zinc/75/61/60/552756160.db2.gz	QDKLGUMQHLKMFI-KRWDZBQOSA-N	1	0	356.470	1.996	20	30		FDEDRO
N#CCCn1cc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)c(-c2ccncc2)n1	ZINC000597174082	552757561	/nfs/dbraw/zinc/75/75/61/552757561.db2.gz	JIJAQRKZQCUYFC-INIZCTEOSA-N	1	0	362.441	1.972	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(C#N)cc1	ZINC000597184606	552758651	/nfs/dbraw/zinc/75/86/51/552758651.db2.gz	LUJBSBFZQDNQDW-RDTXWAMCSA-N	1	0	370.453	1.105	20	30		FDEDRO
C[N@H+](CCNC(=O)C(=O)NCC1(C#N)CCCCC1)Cc1ccccc1	ZINC000597216386	552761562	/nfs/dbraw/zinc/76/15/62/552761562.db2.gz	FCDOJBQBCZOMGZ-UHFFFAOYSA-N	1	0	356.470	1.825	20	30		FDEDRO
C[C@H](C#N)CN(C)c1nnc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1C[C@H]1CCOC1	ZINC000597365665	552780185	/nfs/dbraw/zinc/78/01/85/552780185.db2.gz	AORBHGHIMKMUNG-VQHPVUNQSA-N	1	0	374.489	1.446	20	30		FDEDRO
CC(C)C[C@H](NC(=O)c1cc(F)c(C#N)c(F)c1)C(=O)NCC[NH+](C)C	ZINC000597450248	552790917	/nfs/dbraw/zinc/79/09/17/552790917.db2.gz	UWKNNUXOCSXUBA-INIZCTEOSA-N	1	0	366.412	1.659	20	30		FDEDRO
C[C@H](CC#N)C(=O)NCCN(CC[NH+]1CCCCC1)C(=O)[C@H](C)CC#N	ZINC000597643772	552816946	/nfs/dbraw/zinc/81/69/46/552816946.db2.gz	RWBSWIYDXLPHTB-IAGOWNOFSA-N	1	0	361.490	1.517	20	30		FDEDRO
CN(CCC[NH+](C)C)CCNC(=O)c1ccc(Br)cc1C#N	ZINC000597991725	552853620	/nfs/dbraw/zinc/85/36/20/552853620.db2.gz	HIPHSCJFNMSFCE-UHFFFAOYSA-N	1	0	367.291	1.934	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H](O)CC(C)(C)C#N)CCN1C[C@H](O)CC(C)(C)C#N	ZINC000598593446	552912390	/nfs/dbraw/zinc/91/23/90/552912390.db2.gz	ATINAKMGPVOVEF-IXDOHACOSA-N	1	0	350.507	1.594	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[NH2+]CCN1CCN(C(=O)C2CCCCC2)CC1	ZINC000598718085	552927984	/nfs/dbraw/zinc/92/79/84/552927984.db2.gz	CFAZTWYIKRXPKW-SFHVURJKSA-N	1	0	364.534	1.601	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccccc1OCCN1CCOCC1	ZINC000598719410	552927995	/nfs/dbraw/zinc/92/79/95/552927995.db2.gz	HWNUEIGALCEDMW-GOSISDBHSA-N	1	0	361.486	1.788	20	30		FDEDRO
COC(=O)c1ccsc1N1CC[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1=O	ZINC000598721237	552928024	/nfs/dbraw/zinc/92/80/24/552928024.db2.gz	UCTZXOTVSHWMJA-DGCLKSJQSA-N	1	0	365.455	1.530	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1	ZINC000598719065	552928083	/nfs/dbraw/zinc/92/80/83/552928083.db2.gz	FQTFGMPUIYHITD-ROUUACIJSA-N	1	0	359.470	1.986	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1	ZINC000598723428	552928175	/nfs/dbraw/zinc/92/81/75/552928175.db2.gz	HQUZZADSXNKYBN-INIZCTEOSA-N	1	0	351.472	1.617	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2	ZINC000598725788	552928527	/nfs/dbraw/zinc/92/85/27/552928527.db2.gz	PHXDXNFSBYUFAI-FHWLQOOXSA-N	1	0	370.497	1.476	20	30		FDEDRO
C[NH+](C)CCCC(C)(C)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000598739014	552929821	/nfs/dbraw/zinc/92/98/21/552929821.db2.gz	UGCALKVNRNYKJJ-UHFFFAOYSA-N	1	0	365.499	1.710	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+]C[C@@H]3CN(Cc4ccncc4)CCO3)n2c1	ZINC000599009462	552957768	/nfs/dbraw/zinc/95/77/68/552957768.db2.gz	YBQLYXAUPUUUPP-LJQANCHMSA-N	1	0	362.437	1.592	20	30		FDEDRO
COC(=O)c1cc(C[N@H+](C)C[C@H](O)CC2(C#N)CCOCC2)oc1C	ZINC000599251869	553003444	/nfs/dbraw/zinc/00/34/44/553003444.db2.gz	ZWTZWLUTQNVCKN-CQSZACIVSA-N	1	0	350.415	1.878	20	30		FDEDRO
CCCCNC(=O)[C@H]1CCC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000599276656	553012336	/nfs/dbraw/zinc/01/23/36/553012336.db2.gz	DEJOXNCUKKNCBS-IRXDYDNUSA-N	1	0	351.491	1.686	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)CCOCC1	ZINC000599455758	553061517	/nfs/dbraw/zinc/06/15/17/553061517.db2.gz	WFUVDXWTMRYWLX-RBUKOAKNSA-N	1	0	371.481	1.696	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1	ZINC000599543804	553083993	/nfs/dbraw/zinc/08/39/93/553083993.db2.gz	GLJIMFPGEVRTIM-UHFFFAOYSA-N	1	0	369.531	1.125	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)CC1	ZINC000599552654	553085720	/nfs/dbraw/zinc/08/57/20/553085720.db2.gz	HRQZMAZKUFKDBC-IKGGRYGDSA-N	1	0	350.532	1.649	20	30		FDEDRO
N#Cc1ccc(C2(NC(=O)N[C@H](C[NH3+])C(F)(F)F)CCOCC2)cc1	ZINC000599607082	553101861	/nfs/dbraw/zinc/10/18/61/553101861.db2.gz	KHBZJHUVSXANKD-CYBMUJFWSA-N	1	0	356.348	1.753	20	30		FDEDRO
CCC1([NH+]2CCOCC2)CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1	ZINC000599670692	553118529	/nfs/dbraw/zinc/11/85/29/553118529.db2.gz	YNAOOQLEKFQLCU-GOSISDBHSA-N	1	0	356.470	1.661	20	30		FDEDRO
Cc1noc([C@@H]2OCC[C@@H]2[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)n1	ZINC000599684069	553121518	/nfs/dbraw/zinc/12/15/18/553121518.db2.gz	YXHLUEJUCUDBJJ-HYVNUMGLSA-N	1	0	358.398	1.304	20	30		FDEDRO
C[NH+](C)CCn1ccc(=NC(=O)N2CCc3c(CC#N)cccc3C2)[nH]1	ZINC000599753310	553138285	/nfs/dbraw/zinc/13/82/85/553138285.db2.gz	SFJHYVPHGFNPAG-UHFFFAOYSA-N	1	0	352.442	2.101	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC2(C[NH3+])CCOCC2)cc1C(F)(F)F	ZINC000599897590	553170582	/nfs/dbraw/zinc/17/05/82/553170582.db2.gz	JEHCBHDQCSLDKA-UHFFFAOYSA-N	1	0	370.331	1.140	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1C#N	ZINC000599900435	553171345	/nfs/dbraw/zinc/17/13/45/553171345.db2.gz	PZRSZRJGIZSKFC-DGCLKSJQSA-N	1	0	368.359	1.791	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1	ZINC000599903380	553171632	/nfs/dbraw/zinc/17/16/32/553171632.db2.gz	CBENJMFGXAEJEM-GOSISDBHSA-N	1	0	370.453	1.422	20	30		FDEDRO
CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000599916784	553174033	/nfs/dbraw/zinc/17/40/33/553174033.db2.gz	DMHHEDOVDPNLEK-BBWFWOEESA-N	1	0	355.442	1.493	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NCC3([NH3+])CCOCC3)CC2)c(F)c1	ZINC000599931614	553175924	/nfs/dbraw/zinc/17/59/24/553175924.db2.gz	YPOLWJKOHYVOAU-UHFFFAOYSA-N	1	0	361.421	1.037	20	30		FDEDRO
CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc(OC)c(C#N)cc1F	ZINC000599939088	553178883	/nfs/dbraw/zinc/17/88/83/553178883.db2.gz	GVHVMKROBLUUEN-NSHDSACASA-N	1	0	350.394	1.491	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(F)cc1C#N	ZINC000599955716	553184754	/nfs/dbraw/zinc/18/47/54/553184754.db2.gz	OJPZWYVJTUQRAS-BLLLJJGKSA-N	1	0	374.416	1.587	20	30		FDEDRO
CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(OC)c(C#N)cc1F	ZINC000599974503	553190373	/nfs/dbraw/zinc/19/03/73/553190373.db2.gz	DTKPRNLTWGCISM-GFCCVEGCSA-N	1	0	364.421	1.881	20	30		FDEDRO
CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1	ZINC000600047559	553208013	/nfs/dbraw/zinc/20/80/13/553208013.db2.gz	MIANHFIVTZRAEN-UHFFFAOYSA-N	1	0	374.416	1.349	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]Cc1cccc(C(=O)NC2CC2)c1	ZINC000600717154	553306246	/nfs/dbraw/zinc/30/62/46/553306246.db2.gz	OGTMFAKUBAFMSH-LJQANCHMSA-N	1	0	365.433	1.980	20	30		FDEDRO
Cc1ccc(C(=O)NCC[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)cc1F	ZINC000600717969	553306677	/nfs/dbraw/zinc/30/66/77/553306677.db2.gz	OSUSEPBNURRKFB-INIZCTEOSA-N	1	0	363.433	1.525	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]CC(=O)N2CCc3ccccc3C2)CCOCC1	ZINC000600722986	553307015	/nfs/dbraw/zinc/30/70/15/553307015.db2.gz	LFVZZOSTARTFSZ-SFHVURJKSA-N	1	0	357.454	1.232	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)CCOCC1	ZINC000600723227	553307540	/nfs/dbraw/zinc/30/75/40/553307540.db2.gz	WSOADSIGFNTPGY-MSOLQXFVSA-N	1	0	357.454	1.448	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCCc1nnc2n1CCCCC2	ZINC000600723330	553307547	/nfs/dbraw/zinc/30/75/47/553307547.db2.gz	CBMRHYAXLYGICU-KRWDZBQOSA-N	1	0	369.469	1.838	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]CCCn2cc(Br)cn2)CCOCC1	ZINC000600739392	553309483	/nfs/dbraw/zinc/30/94/83/553309483.db2.gz	CKVXEISXDCYRLU-AWEZNQCLSA-N	1	0	371.279	1.697	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)CCOCC1	ZINC000600738440	553309706	/nfs/dbraw/zinc/30/97/06/553309706.db2.gz	IPLNVUWFMJJWHG-GJZGRUSLSA-N	1	0	361.417	1.592	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]CCCN2C(=O)c3ccccc3C2=O)CCOCC1	ZINC000600743115	553310094	/nfs/dbraw/zinc/31/00/94/553310094.db2.gz	ZQVPRPAJIXIXMV-OAHLLOKOSA-N	1	0	371.437	1.334	20	30		FDEDRO
Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@@H](O)COc1ccccc1C#N	ZINC000600746766	553310327	/nfs/dbraw/zinc/31/03/27/553310327.db2.gz	LUSXLTBUFVSSPR-GFCCVEGCSA-N	1	0	354.332	1.840	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@H]([C@H]2CCCO2)C2(CO)CCC2)CCOCC1	ZINC000600749825	553310943	/nfs/dbraw/zinc/31/09/43/553310943.db2.gz	RZPBJIUANVNWBI-GVDBMIGSSA-N	1	0	352.475	1.358	20	30		FDEDRO
CC(C)(C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1)C(=O)N1CCCC1	ZINC000600755504	553311856	/nfs/dbraw/zinc/31/18/56/553311856.db2.gz	KJHRJFINSBTEHW-KRWDZBQOSA-N	1	0	359.470	1.731	20	30		FDEDRO
C[NH2+]C1(CNC(=O)COc2ccc(C#N)c(Br)c2)CCC1	ZINC000600825361	553319397	/nfs/dbraw/zinc/31/93/97/553319397.db2.gz	FTKAELFKQRLLKA-UHFFFAOYSA-N	1	0	352.232	1.958	20	30		FDEDRO
Cc1cc(F)cc(C#N)c1S(=O)(=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000601352227	553383289	/nfs/dbraw/zinc/38/32/89/553383289.db2.gz	HNOSGYMZOPKQQE-HNNXBMFYSA-N	1	0	355.435	1.131	20	30		FDEDRO
CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1c(C)cc(F)cc1C#N	ZINC000601367674	553386455	/nfs/dbraw/zinc/38/64/55/553386455.db2.gz	WJPSENNESQWMKJ-HNNXBMFYSA-N	1	0	357.451	1.641	20	30		FDEDRO
CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1c(C)cc(F)cc1C#N	ZINC000601367675	553386547	/nfs/dbraw/zinc/38/65/47/553386547.db2.gz	WJPSENNESQWMKJ-OAHLLOKOSA-N	1	0	357.451	1.641	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H](C)N1CC#N	ZINC000601489697	553419234	/nfs/dbraw/zinc/41/92/34/553419234.db2.gz	IVJMWGNAMLHJRP-HUUCEWRRSA-N	1	0	350.488	1.355	20	30		FDEDRO
Cc1ccc(C[N@H+]2CC[C@@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C2)cc1	ZINC000601523300	553428123	/nfs/dbraw/zinc/42/81/23/553428123.db2.gz	VMTBEXSJSHAPHW-DOTOQJQBSA-N	1	0	350.488	1.495	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CC[N@H+](Cc2cccc(C)c2)C1	ZINC000601523595	553428205	/nfs/dbraw/zinc/42/82/05/553428205.db2.gz	PYAICZGSDRSFEP-AEFFLSMTSA-N	1	0	364.515	1.885	20	30		FDEDRO
Cc1ccc([C@@H](CNC(=O)N2CCN(CCC#N)CC2)[NH+]2CCCC2)o1	ZINC000601569259	553437193	/nfs/dbraw/zinc/43/71/93/553437193.db2.gz	YVNAJFFQDQBQEB-QGZVFWFLSA-N	1	0	359.474	1.966	20	30		FDEDRO
N#Cc1cc(F)cc(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)c1	ZINC000602023965	553502610	/nfs/dbraw/zinc/50/26/10/553502610.db2.gz	MCUKRUJKNSUDBN-QGZVFWFLSA-N	1	0	374.416	1.349	20	30		FDEDRO
CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)Nc2cccc(C#N)n2)CC1	ZINC000602058905	553510312	/nfs/dbraw/zinc/51/03/12/553510312.db2.gz	RHFRSOYCLUXMSJ-UHFFFAOYSA-N	1	0	355.442	1.759	20	30		FDEDRO
COC(=O)CN1CCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1	ZINC000602150973	553529259	/nfs/dbraw/zinc/52/92/59/553529259.db2.gz	DWRRYPLUJPYOCY-WUJZJPHMSA-N	1	0	364.490	1.096	20	30		FDEDRO
N#CCCN1CCN(C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)CC1	ZINC000602209896	553540437	/nfs/dbraw/zinc/54/04/37/553540437.db2.gz	JBYYAIZABJWMET-UHFFFAOYSA-N	1	0	370.497	1.562	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1	ZINC000602233191	553544530	/nfs/dbraw/zinc/54/45/30/553544530.db2.gz	VOYFMOREJNBVIX-SFHVURJKSA-N	1	0	354.454	1.698	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N1CCC(CC)([NH+]2CCCC2)CC1	ZINC000602240945	553546487	/nfs/dbraw/zinc/54/64/87/553546487.db2.gz	WSAAMNQMDTYGID-UHFFFAOYSA-N	1	0	353.532	1.889	20	30		FDEDRO
N#Cc1ccc2c(c1)CN(C(=O)c1nnn([C@@H]3CC[NH2+]C3)c1C(F)F)C2	ZINC000602521479	553597622	/nfs/dbraw/zinc/59/76/22/553597622.db2.gz	OCTQXASUQFLILN-CYBMUJFWSA-N	1	0	358.352	1.778	20	30		FDEDRO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2	ZINC000602522349	553597823	/nfs/dbraw/zinc/59/78/23/553597823.db2.gz	VQONWYIEHZBWMA-LSDHHAIUSA-N	1	0	362.426	1.844	20	30		FDEDRO
N#CC1(C(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC2(CC2)C1	ZINC000602528234	553599148	/nfs/dbraw/zinc/59/91/48/553599148.db2.gz	NXKYWSVHTCJABV-HNNXBMFYSA-N	1	0	368.485	1.609	20	30		FDEDRO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1	ZINC000602570723	553606802	/nfs/dbraw/zinc/60/68/02/553606802.db2.gz	IDXYIFUMJZCAOP-KBPBESRZSA-N	1	0	372.512	1.571	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+]CCNS(=O)(=O)c1cccs1	ZINC000602574697	553606857	/nfs/dbraw/zinc/60/68/57/553606857.db2.gz	LOSROUFYDTZWDZ-CYBMUJFWSA-N	1	0	357.501	1.715	20	30		FDEDRO
N#Cc1cccc(NC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)c1	ZINC000602768003	553634422	/nfs/dbraw/zinc/63/44/22/553634422.db2.gz	PWZPSOWCXNQYHI-SFHVURJKSA-N	1	0	357.458	1.476	20	30		FDEDRO
C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)N=c1ccn(CCC#N)[nH]1	ZINC000602852863	553651235	/nfs/dbraw/zinc/65/12/35/553651235.db2.gz	SRHOQMWDHRCOJB-HNNXBMFYSA-N	1	0	360.462	1.904	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2CCC(c3ccc(C#N)cn3)CC2)CC1	ZINC000602913073	553667475	/nfs/dbraw/zinc/66/74/75/553667475.db2.gz	RVYVUWMVYTWPHR-UHFFFAOYSA-N	1	0	355.486	1.733	20	30		FDEDRO
Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2CCOc2ccccc2C#N)cn1	ZINC000602945160	553676483	/nfs/dbraw/zinc/67/64/83/553676483.db2.gz	XUNKXERYVWWZPT-QGZVFWFLSA-N	1	0	353.426	1.565	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@](COC)(C(=O)OC(C)(C)C)C1	ZINC000602959886	553680603	/nfs/dbraw/zinc/68/06/03/553680603.db2.gz	BPODYSCLSLQITH-UGSOOPFHSA-N	1	0	369.462	1.067	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(CCO)(CCO)CC1	ZINC000602966535	553682534	/nfs/dbraw/zinc/68/25/34/553682534.db2.gz	IRYDJUICVXQRFF-INIZCTEOSA-N	1	0	351.491	1.565	20	30		FDEDRO
N#Cc1ccc(Oc2ccc(C(=O)N[C@@H](CO)C[NH+]3CCCC3)cc2)nc1	ZINC000603051299	553701414	/nfs/dbraw/zinc/70/14/14/553701414.db2.gz	AKWYXCXSWSUWPL-QGZVFWFLSA-N	1	0	366.421	1.932	20	30		FDEDRO
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)Nc2ccnc(C#N)c2)CC1	ZINC000603131317	553713711	/nfs/dbraw/zinc/71/37/11/553713711.db2.gz	NVKWTMWGFIQDDZ-HZPDHXFCSA-N	1	0	356.474	1.976	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc(C#N)c1)n1cc(CN2CC[NH+](C)CC2)nn1	ZINC000603173909	553722197	/nfs/dbraw/zinc/72/21/97/553722197.db2.gz	PETJDWSUPQUSEN-CQSZACIVSA-N	1	0	353.430	1.097	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)Cn2cc(C[C@H]3CC[NH2+]C3)nn2)c1C	ZINC000603207791	553732372	/nfs/dbraw/zinc/73/23/72/553732372.db2.gz	VZLZYBMFMFUXFT-QGZVFWFLSA-N	1	0	366.469	1.994	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(c3c(C#N)cnn3-c3ccccc3)C2)CC1	ZINC000603293327	553756865	/nfs/dbraw/zinc/75/68/65/553756865.db2.gz	WNNDXZJCJCKMCM-IBGZPJMESA-N	1	0	350.470	1.960	20	30		FDEDRO
COCCOCc1cc(C#N)ccc1N1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000603305905	553760295	/nfs/dbraw/zinc/76/02/95/553760295.db2.gz	RNZCRKZFZBTTSA-GOSISDBHSA-N	1	0	359.470	1.880	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCN(c2c(C#N)cnn2-c2ccccc2)CC1	ZINC000603314269	553763205	/nfs/dbraw/zinc/76/32/05/553763205.db2.gz	KKOANGATIYRHEJ-UHFFFAOYSA-N	1	0	352.442	1.344	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)C3CC[NH+](C)CC3)cc2C1=O	ZINC000603327045	553764678	/nfs/dbraw/zinc/76/46/78/553764678.db2.gz	YYONDKZUIYXYQF-CYBMUJFWSA-N	1	0	355.438	1.929	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N1CCCC[C@H]1[C@H](C)C[NH+](C)C	ZINC000603389725	553777577	/nfs/dbraw/zinc/77/75/77/553777577.db2.gz	DPIZKUFYMGBTMZ-CVEARBPZSA-N	1	0	360.524	1.145	20	30		FDEDRO
N#Cc1ccc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)cc1[N+](=O)[O-]	ZINC000603424483	553785138	/nfs/dbraw/zinc/78/51/38/553785138.db2.gz	YCSKMJQZUXCPNQ-QGZVFWFLSA-N	1	0	359.430	1.675	20	30		FDEDRO
N#CC[C@@H]1CC[C@H](NC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1	ZINC000603436760	553788479	/nfs/dbraw/zinc/78/84/79/553788479.db2.gz	RIPVAFAZQVICOB-BZSNNMDCSA-N	1	0	363.506	1.165	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC1	ZINC000609109029	554337954	/nfs/dbraw/zinc/33/79/54/554337954.db2.gz	OHYLQNSDZMFWFE-LJQANCHMSA-N	1	0	356.470	1.754	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1	ZINC000609848086	554429236	/nfs/dbraw/zinc/42/92/36/554429236.db2.gz	WOXJUSQBPSUDBC-SFHVURJKSA-N	1	0	362.518	1.714	20	30		FDEDRO
CN(C)C(=O)CN1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1	ZINC000610245463	554477563	/nfs/dbraw/zinc/47/75/63/554477563.db2.gz	AJJUITHAOMSMTC-UHFFFAOYSA-N	1	0	368.397	1.225	20	30		FDEDRO
C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000610345838	554494193	/nfs/dbraw/zinc/49/41/93/554494193.db2.gz	ABHNBOMNRIQOEW-CHWSQXEVSA-N	1	0	372.450	1.883	20	30		FDEDRO
C[C@@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(C#N)c1	ZINC000610351110	554494734	/nfs/dbraw/zinc/49/47/34/554494734.db2.gz	OCWFEZCFMVXXLE-OAHLLOKOSA-N	1	0	371.485	1.861	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccccc1CS(C)(=O)=O	ZINC000610541317	554525841	/nfs/dbraw/zinc/52/58/41/554525841.db2.gz	GTUQZCHOFFZICW-UHFFFAOYSA-N	1	0	366.487	1.930	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1	ZINC000610586205	554535430	/nfs/dbraw/zinc/53/54/30/554535430.db2.gz	GZIYBXOHDDEADE-INIZCTEOSA-N	1	0	374.416	1.349	20	30		FDEDRO
CN(C)C(=O)c1ccc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)[nH]1	ZINC000610612699	554539379	/nfs/dbraw/zinc/53/93/79/554539379.db2.gz	VPPJLPJGWQOWKD-UHFFFAOYSA-N	1	0	352.442	1.742	20	30		FDEDRO
CC(C)[NH+]1CCN([C@H]2CCN(C(=O)CNc3ccc(C#N)cc3)C2)CC1	ZINC000610727259	554555076	/nfs/dbraw/zinc/55/50/76/554555076.db2.gz	UZIZNBQLQBMUNW-IBGZPJMESA-N	1	0	355.486	1.597	20	30		FDEDRO
C[N@H+](CC1CC1)C[C@H]1CCN(CCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000611089657	554603919	/nfs/dbraw/zinc/60/39/19/554603919.db2.gz	YXTCJEDQYIFJTE-GOSISDBHSA-N	1	0	361.511	1.996	20	30		FDEDRO
N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCN(CCN2CCOCC2)C1	ZINC000611392683	554630490	/nfs/dbraw/zinc/63/04/90/554630490.db2.gz	CXERRGVNURSMHF-CTNGQTDRSA-N	1	0	354.498	1.932	20	30		FDEDRO
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+](CCCO)C2CC2)CC1	ZINC000611430265	554632980	/nfs/dbraw/zinc/63/29/80/554632980.db2.gz	NJIGYIPMHDDNGA-LJQANCHMSA-N	1	0	374.460	1.381	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)Nc1cnn(CC[NH+](C)C)c1	ZINC000612313528	554761472	/nfs/dbraw/zinc/76/14/72/554761472.db2.gz	BUYRJSHCWFXJBB-UHFFFAOYSA-N	1	0	372.429	1.986	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO	ZINC000613385301	554919872	/nfs/dbraw/zinc/91/98/72/554919872.db2.gz	PNXFKVYWPUYFDB-UXHICEINSA-N	1	0	373.497	1.730	20	30		FDEDRO
CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)COc3ccc(C#N)cc3)CC2)CC1	ZINC000613630992	554947025	/nfs/dbraw/zinc/94/70/25/554947025.db2.gz	OBKIBJZEMQGKNL-HDICACEKSA-N	1	0	356.470	1.612	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2C1=O	ZINC000614124974	555013335	/nfs/dbraw/zinc/01/33/35/555013335.db2.gz	GNUADXFPHWDSHH-HUUCEWRRSA-N	1	0	353.422	1.825	20	30		FDEDRO
C[C@H]1CN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC[N@@H+]1CC(C)(C)O	ZINC000614904261	555135359	/nfs/dbraw/zinc/13/53/59/555135359.db2.gz	VUXNSOQHIRVZPW-LPHOPBHVSA-N	1	0	370.497	1.831	20	30		FDEDRO
CC[C@]1([NH2+]CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCOC1	ZINC000616865969	555350458	/nfs/dbraw/zinc/35/04/58/555350458.db2.gz	CZYXGJLHAKMLPC-QAPCUYQASA-N	1	0	362.499	1.616	20	30		FDEDRO
N#Cc1cccc(C2(NC(=O)C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)CC2)c1	ZINC000618041734	555560533	/nfs/dbraw/zinc/56/05/33/555560533.db2.gz	DEKGNVORFLCMOY-UHFFFAOYSA-N	1	0	372.388	1.883	20	30		FDEDRO
CN1CCC2(CC[NH+](C[C@@H](O)COc3ccc(CC#N)cc3)CC2)C1=O	ZINC000618547476	555648010	/nfs/dbraw/zinc/64/80/10/555648010.db2.gz	PDYDFXOZWZRVOL-QGZVFWFLSA-N	1	0	357.454	1.437	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)Nc3cnn(CC[NH+](C)C)c3)CC2)o1	ZINC000619433199	555775424	/nfs/dbraw/zinc/77/54/24/555775424.db2.gz	UFFXZAANXGIYDT-UHFFFAOYSA-N	1	0	371.445	1.468	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1)n1cnc(C#N)n1	ZINC000619586973	555804328	/nfs/dbraw/zinc/80/43/28/555804328.db2.gz	NNVXPAOFQSNSNS-AWEZNQCLSA-N	1	0	353.430	1.097	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H](C)n3cnc(C#N)n3)cc2)CC1	ZINC000619610752	555808617	/nfs/dbraw/zinc/80/86/17/555808617.db2.gz	FMONQBOLFLMJFT-OAHLLOKOSA-N	1	0	367.457	1.487	20	30		FDEDRO
C[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)n1cnc(C#N)n1	ZINC000619611450	555808662	/nfs/dbraw/zinc/80/86/62/555808662.db2.gz	YKSSSLNANYPAQV-WBVHZDCISA-N	1	0	352.442	1.739	20	30		FDEDRO
C[C@H](C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C)n1cnc(C#N)n1	ZINC000619613874	555809054	/nfs/dbraw/zinc/80/90/54/555809054.db2.gz	LLXBTKGXTTVPQM-HZPDHXFCSA-N	1	0	352.442	1.834	20	30		FDEDRO
C=CC[C@H]1CCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1	ZINC000624200774	556552664	/nfs/dbraw/zinc/55/26/64/556552664.db2.gz	SICZYZDPOADLAN-KRWDZBQOSA-N	1	0	350.507	1.391	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@@H](CO)C[C@H]1C	ZINC000624841027	556652878	/nfs/dbraw/zinc/65/28/78/556652878.db2.gz	SSMOEJGCBXEUHZ-VQHPVUNQSA-N	1	0	361.490	1.597	20	30		FDEDRO
C=CCn1c(-c2cn[nH]c2)nnc1N1CCC(C)([NH+]2CCOCC2)CC1	ZINC000624849578	556654865	/nfs/dbraw/zinc/65/48/65/556654865.db2.gz	MBZXTOXCAZNFQH-UHFFFAOYSA-N	1	0	357.462	1.545	20	30		FDEDRO
CC(=O)N1CC[C@@H](C[N@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000625269452	556759941	/nfs/dbraw/zinc/75/99/41/556759941.db2.gz	NICLYLSLZQNXCT-INIZCTEOSA-N	1	0	353.422	1.086	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1	ZINC000626888286	557214998	/nfs/dbraw/zinc/21/49/98/557214998.db2.gz	KTKLTJAAQRFBSA-DOMZBBRYSA-N	1	0	359.430	1.189	20	30		FDEDRO
C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C[NH2+]1	ZINC000626888274	557215099	/nfs/dbraw/zinc/21/50/99/557215099.db2.gz	KLZZABODORLSNV-BEFAXECRSA-N	1	0	362.433	1.677	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1	ZINC000629792446	557836050	/nfs/dbraw/zinc/83/60/50/557836050.db2.gz	OYVDKZYFDFOBBV-OYRHEFFESA-N	1	0	371.481	1.668	20	30		FDEDRO
C=CCN(CCc1ccccc1)S(=O)(=O)CCCN1CC[NH+](C)CC1	ZINC000631812711	558046164	/nfs/dbraw/zinc/04/61/64/558046164.db2.gz	CXGFYVPWQMWYKR-UHFFFAOYSA-N	1	0	365.543	1.684	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H]4C[NH2+]CC[C@@H]43)cc2C1=O	ZINC000632857568	558225824	/nfs/dbraw/zinc/22/58/24/558225824.db2.gz	VBFGESKNXJKDTB-PBHICJAKSA-N	1	0	353.422	1.683	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)cc2C1=O	ZINC000634749396	558520831	/nfs/dbraw/zinc/52/08/31/558520831.db2.gz	RCDPUXSCGCDEFS-BGYRXZFFSA-N	1	0	353.422	1.540	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)c1	ZINC000634755472	558521878	/nfs/dbraw/zinc/52/18/78/558521878.db2.gz	ZRSWVEAQQIDANC-HNNXBMFYSA-N	1	0	365.499	1.659	20	30		FDEDRO
CC(C)[N@H+](C)C[C@@H](C)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000291783002	568310162	/nfs/dbraw/zinc/31/01/62/568310162.db2.gz	FUCMMFQTDUZLNO-CQSZACIVSA-N	1	0	351.472	1.318	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)NCC2(CC#N)CC2)[C@H](c2ccccc2)C1	ZINC000365455192	568727995	/nfs/dbraw/zinc/72/79/95/568727995.db2.gz	CDSKQAWBMCOOES-SFHVURJKSA-N	1	0	355.486	1.968	20	30		FDEDRO
C#CCCOc1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1	ZINC000271982439	674402124	/nfs/dbraw/zinc/40/21/24/674402124.db2.gz	JSEOTLZSBRGPHM-MJGOQNOKSA-N	1	0	363.479	1.915	20	30		FDEDRO
Cc1c(NC(=O)N(CCC#N)CCC[NH+](C)C)cccc1-c1nn[nH]n1	ZINC000822076037	607289819	/nfs/dbraw/zinc/28/98/19/607289819.db2.gz	LCWHJMMJHKSRHZ-UHFFFAOYSA-N	1	0	356.434	1.874	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)cn1)C(C)C	ZINC000735418925	598473566	/nfs/dbraw/zinc/47/35/66/598473566.db2.gz	LTSLEEUETUTIME-INIZCTEOSA-N	1	0	355.446	1.690	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3s2)CC1	ZINC000272519845	674453678	/nfs/dbraw/zinc/45/36/78/674453678.db2.gz	VREGYQPKSUQYJZ-JKSUJKDBSA-N	1	0	361.467	1.457	20	30		FDEDRO
CNC(=O)CC[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1	ZINC000272587788	674458970	/nfs/dbraw/zinc/45/89/70/674458970.db2.gz	FRRWZDMWBCRZSG-OAHLLOKOSA-N	1	0	365.275	1.767	20	30		FDEDRO
C=C(C)CN1CCC([NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1	ZINC000735399705	599488208	/nfs/dbraw/zinc/48/82/08/599488208.db2.gz	TWEZKWSMPBWQMH-UHFFFAOYSA-N	1	0	352.446	1.645	20	30		FDEDRO
N#Cc1cc(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)ccn1	ZINC000826383863	607485120	/nfs/dbraw/zinc/48/51/20/607485120.db2.gz	UZJZATZWUIGZBJ-UHFFFAOYSA-N	1	0	360.425	1.846	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(-c2nn[nH]n2)cn1C)C(C)C	ZINC000819739692	606288683	/nfs/dbraw/zinc/28/86/83/606288683.db2.gz	DGVCWEBLAKGPKE-MRXNPFEDSA-N	1	0	357.462	1.634	20	30		FDEDRO
C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000824763227	608034178	/nfs/dbraw/zinc/03/41/78/608034178.db2.gz	LPZOHMMRTWOEDX-NSHDSACASA-N	1	0	351.418	1.669	20	30		FDEDRO
C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000824763226	608034201	/nfs/dbraw/zinc/03/42/01/608034201.db2.gz	LPZOHMMRTWOEDX-LLVKDONJSA-N	1	0	351.418	1.669	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC000825865591	609196676	/nfs/dbraw/zinc/19/66/76/609196676.db2.gz	HEMHGJMCDXGJRW-UHFFFAOYSA-N	1	0	364.413	1.270	20	30		FDEDRO
N#CC1(CS(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC1	ZINC000274241092	674588448	/nfs/dbraw/zinc/58/84/48/674588448.db2.gz	UBXBCXDQCPRWTI-SJORKVTESA-N	1	0	363.483	1.093	20	30		FDEDRO
C=CCOc1ccc(C[NH2+]CCNS(=O)(=O)NC(C)C)cc1OC	ZINC000277091286	674854231	/nfs/dbraw/zinc/85/42/31/674854231.db2.gz	VIKZRLHNIYBOHO-UHFFFAOYSA-N	1	0	357.476	1.182	20	30		FDEDRO
C[C@H](CC[NH+](C)C)NC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1	ZINC000278607275	675160112	/nfs/dbraw/zinc/16/01/12/675160112.db2.gz	MIDYSVGMQVBEGM-OLZOCXBDSA-N	1	0	352.460	1.834	20	30		FDEDRO
C[NH+]=C(NCCc1cc(Cl)c2c(c1)OCCO2)NC[C@H]1CCCO1	ZINC000072748401	671395535	/nfs/dbraw/zinc/39/55/35/671395535.db2.gz	XSCMBFQZHOQPDU-CYBMUJFWSA-N	1	0	353.850	1.998	20	30		FDEDRO
C[NH+]=C(NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)N[C@@H]1CCN(C2CC2)C1	ZINC000083131049	671471927	/nfs/dbraw/zinc/47/19/27/671471927.db2.gz	RCHKVHBBTRNORD-OWCLPIDISA-N	1	0	351.539	1.276	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C	ZINC000287064892	675912199	/nfs/dbraw/zinc/91/21/99/675912199.db2.gz	PPVSEBNTBKAHNC-IRXDYDNUSA-N	1	0	351.491	1.440	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1	ZINC000287314130	675914355	/nfs/dbraw/zinc/91/43/55/675914355.db2.gz	NRSDSSDJTXADEV-GXTWGEPZSA-N	1	0	350.444	1.540	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CSC[C@H]2C(=O)NCCC(C)C)CC1	ZINC000103947870	671593313	/nfs/dbraw/zinc/59/33/13/671593313.db2.gz	JEYBVJQPMJYJBA-INIZCTEOSA-N	1	0	351.516	1.395	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(CCCNC(=[NH2+])NCC2CCC2)CC1	ZINC000104175008	671594795	/nfs/dbraw/zinc/59/47/95/671594795.db2.gz	OBROAJQPGNKJHB-UHFFFAOYSA-N	1	0	353.511	1.634	20	30		FDEDRO
C[NH+]=C(NCCCN(C)c1ccccc1F)NCCN1CCOCC1	ZINC000104177592	671595008	/nfs/dbraw/zinc/59/50/08/671595008.db2.gz	SCWWNSGJHZWKQI-UHFFFAOYSA-N	1	0	351.470	1.149	20	30		FDEDRO
C=C(Br)CNC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1	ZINC000105328990	671600876	/nfs/dbraw/zinc/60/08/76/671600876.db2.gz	VPGDMWVEGMCYRH-OLZOCXBDSA-N	1	0	358.280	1.344	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1CC(N)=NOCC(=O)N(C)Cc1ccc(F)cc1	ZINC000111179203	671631183	/nfs/dbraw/zinc/63/11/83/671631183.db2.gz	NDVLUGQRXRLYFB-AWEZNQCLSA-N	1	0	350.438	1.947	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)ccc1F	ZINC000122473760	671717546	/nfs/dbraw/zinc/71/75/46/671717546.db2.gz	QCQJFZLZZXYIKJ-HNNXBMFYSA-N	1	0	369.462	1.360	20	30		FDEDRO
CC[NH+]=C(NC[C@H]1CCN(S(C)(=O)=O)C1)N1CCSC(C)(C)C1	ZINC000124981957	671743487	/nfs/dbraw/zinc/74/34/87/671743487.db2.gz	NUBPUTDEIFOUFB-CYBMUJFWSA-N	1	0	362.565	1.061	20	30		FDEDRO
C[NH+]=C(NC[C@]1(N2CCOCC2)CCSC1)N1CCSC(C)(C)C1	ZINC000126116849	671755713	/nfs/dbraw/zinc/75/57/13/671755713.db2.gz	JFQKGXAXPJMBAO-QGZVFWFLSA-N	1	0	372.604	1.597	20	30		FDEDRO
C#CCC[NH+]1CCN(CCCOc2ccc(S(C)(=O)=O)cc2)CC1	ZINC000127257425	671767512	/nfs/dbraw/zinc/76/75/12/671767512.db2.gz	RSZAMHSIJBPFLS-UHFFFAOYSA-N	1	0	350.484	1.500	20	30		FDEDRO
C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)NC[C@@]1(C)CCCS1	ZINC000159239129	671989321	/nfs/dbraw/zinc/98/93/21/671989321.db2.gz	AJMGZOWKEHWOSQ-OAHLLOKOSA-N	1	0	362.565	1.109	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C(F)(F)C1(O)CCC1	ZINC000163413918	672023881	/nfs/dbraw/zinc/02/38/81/672023881.db2.gz	CSJGZZZHEFRLOM-UHFFFAOYSA-N	1	0	351.397	1.999	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCOC[C@H]2C[C@@H](O)c2cccs2)CC1	ZINC000176978206	672119913	/nfs/dbraw/zinc/11/99/13/672119913.db2.gz	SWCVPJAVFURFQF-IAGOWNOFSA-N	1	0	362.495	1.744	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1CC(N)=NOCC(=O)N(C)Cc1ccccc1F	ZINC000177592678	672127772	/nfs/dbraw/zinc/12/77/72/672127772.db2.gz	JICLUUJJSYNMBU-AWEZNQCLSA-N	1	0	350.438	1.947	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)Cc1cccc(C#N)c1	ZINC000288249588	675982636	/nfs/dbraw/zinc/98/26/36/675982636.db2.gz	BLOSCVGHBQYSNF-UHFFFAOYSA-N	1	0	352.504	1.203	20	30		FDEDRO
CC[NH+]=C(NCCS(=O)(=O)NC(C)C)N1CCSC(C)(C)C1	ZINC000179138045	672154969	/nfs/dbraw/zinc/15/49/69/672154969.db2.gz	POLPRHFRXUPYRR-UHFFFAOYSA-N	1	0	350.554	1.107	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(N)=O)s1	ZINC000195220416	672400480	/nfs/dbraw/zinc/40/04/80/672400480.db2.gz	ZARQKHGGRMFORD-UHFFFAOYSA-N	1	0	356.451	1.923	20	30		FDEDRO
COc1ccc([C@H](CNC(=[NH2+])NC[C@@H]2CCCO2)N(C)C)cc1OC	ZINC000195522058	672408148	/nfs/dbraw/zinc/40/81/48/672408148.db2.gz	SSBAWFHRLPQBPZ-GJZGRUSLSA-N	1	0	350.463	1.390	20	30		FDEDRO
Cn1cc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)c(-c2cccs2)n1	ZINC000255577994	672622134	/nfs/dbraw/zinc/62/21/34/672622134.db2.gz	WAMGRKQILDWZRQ-WUKNDPDISA-N	1	0	357.439	1.765	20	30		FDEDRO
CC[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N[C@@H](C)c1ccccc1	ZINC000261649352	672643020	/nfs/dbraw/zinc/64/30/20/672643020.db2.gz	MGTFYJSEUCOOQF-HNNXBMFYSA-N	1	0	366.531	1.974	20	30		FDEDRO
CC[NH+]=C(NCc1ccnn1C)N1CCN(c2nc(CC)ns2)CC1	ZINC000261657887	672644713	/nfs/dbraw/zinc/64/47/13/672644713.db2.gz	ATMULXBBAPECHJ-UHFFFAOYSA-N	1	0	362.507	1.122	20	30		FDEDRO
C[NH+]=C(NC[C@]1(O)CCSC1)N[C@H]1CCN(c2cccc(Cl)c2)C1	ZINC000261702474	672654763	/nfs/dbraw/zinc/65/47/63/672654763.db2.gz	JGYJEUNVJXPEGA-WMLDXEAASA-N	1	0	368.934	1.952	20	30		FDEDRO
C[NH+]=C(NCC1CCN(C(C)=O)CC1)N1CCC(OCC2CC2)CC1	ZINC000261706855	672655745	/nfs/dbraw/zinc/65/57/45/672655745.db2.gz	GTRQIPAPJZKKNX-UHFFFAOYSA-N	1	0	350.507	1.711	20	30		FDEDRO
C[NH+]=C(NCCc1csc(C)n1)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000261756932	672665958	/nfs/dbraw/zinc/66/59/58/672665958.db2.gz	COWZPRABKPDKDN-UHFFFAOYSA-N	1	0	351.520	1.901	20	30		FDEDRO
CC[NH+]=C(NCc1cccc(S(N)(=O)=O)c1)N1CCSC(C)(C)C1	ZINC000261760642	672666771	/nfs/dbraw/zinc/66/67/71/672666771.db2.gz	CWHLMERUSWWAOF-UHFFFAOYSA-N	1	0	370.544	1.627	20	30		FDEDRO
C[NH+]=C(NCCc1ccsc1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1	ZINC000261782604	672671656	/nfs/dbraw/zinc/67/16/56/672671656.db2.gz	PLXYHGBLRHWQCX-QGZVFWFLSA-N	1	0	363.487	1.176	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)NC(C)C)N1CC[C@](C)(c2ccccc2)C1	ZINC000261827023	672679278	/nfs/dbraw/zinc/67/92/78/672679278.db2.gz	VCVRQXWNZVXISN-SFHVURJKSA-N	1	0	366.531	1.553	20	30		FDEDRO
CCS(=O)(=O)CCNC(=[NH+]C)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1	ZINC000261847332	672682419	/nfs/dbraw/zinc/68/24/19/672682419.db2.gz	XNZQLJUESIWICK-XJKSGUPXSA-N	1	0	371.478	1.598	20	30		FDEDRO
CC[NH+]=C(NCCN1CCOCC1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2	ZINC000261853151	672683637	/nfs/dbraw/zinc/68/36/37/672683637.db2.gz	XOGKUXRUTPCNQG-GVDBMIGSSA-N	1	0	350.507	1.221	20	30		FDEDRO
C[NH+]=C(NCc1sc(C)nc1C)N[C@H]1CCc2nc(COC)nn2C1	ZINC000261931697	672696351	/nfs/dbraw/zinc/69/63/51/672696351.db2.gz	BNRTXHLGYYLMTG-LBPRGKRZSA-N	1	0	363.491	1.178	20	30		FDEDRO
C[NH+]=C(NCCOc1ccc(Cl)cc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261935149	672696918	/nfs/dbraw/zinc/69/69/18/672696918.db2.gz	CHNDTBPVXOFMPP-UHFFFAOYSA-N	1	0	373.906	1.803	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)C(C)(C)C)N1CCN(c2cccs2)CC1	ZINC000261950228	672700114	/nfs/dbraw/zinc/70/01/14/672700114.db2.gz	HEUFOABUHNTHCT-UHFFFAOYSA-N	1	0	372.560	1.659	20	30		FDEDRO
CC[NH+]=C(NCC1(N(C)C)CCCC1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261953316	672701155	/nfs/dbraw/zinc/70/11/55/672701155.db2.gz	IBPVIQBQTRUUTA-UHFFFAOYSA-N	1	0	358.552	1.335	20	30		FDEDRO
COc1cccc(NC(=[NH2+])NC[C@@]2(N3CCOCC3)CCSC2)c1	ZINC000261966688	672703656	/nfs/dbraw/zinc/70/36/56/672703656.db2.gz	BMUNXRMSHBXHAC-KRWDZBQOSA-N	1	0	350.488	1.630	20	30		FDEDRO
CNS(=O)(=O)c1cccc(CNC(=[NH+]Cc2ccccc2)N(C)C)c1	ZINC000261970710	672704975	/nfs/dbraw/zinc/70/49/75/672704975.db2.gz	CYQPJMFINYXWCE-UHFFFAOYSA-N	1	0	360.483	1.802	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(F)c(F)c1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261974516	672705437	/nfs/dbraw/zinc/70/54/37/672705437.db2.gz	NMOWCLGGGOKIMN-UHFFFAOYSA-N	1	0	359.442	1.939	20	30		FDEDRO
C[NH+]=C(NCc1cccc(NS(C)(=O)=O)c1)NC[C@@H]1CCCS1	ZINC000261989591	672707528	/nfs/dbraw/zinc/70/75/28/672707528.db2.gz	QZCSCZXIMXMMPI-AWEZNQCLSA-N	1	0	356.517	1.619	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(=[NH+]C)N2CCS(=O)(=O)C(C)(C)C2)C12CCCC2	ZINC000262000876	672709714	/nfs/dbraw/zinc/70/97/14/672709714.db2.gz	ULEVEARTYLYAFA-LSDHHAIUSA-N	1	0	371.547	1.809	20	30		FDEDRO
C[NH+]=C(NCC1(N(C)C)CCCCCC1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000262011492	672711887	/nfs/dbraw/zinc/71/18/87/672711887.db2.gz	WSQBJRAYNCDYPA-UHFFFAOYSA-N	1	0	372.579	1.725	20	30		FDEDRO
C[NH+]=C(NC[C@@H](C)Oc1ccccc1F)N1CCS(=O)(=O)C(C)(C)C1	ZINC000262023064	672713698	/nfs/dbraw/zinc/71/36/98/672713698.db2.gz	ZECWOSKMNDVNOO-CYBMUJFWSA-N	1	0	371.478	1.677	20	30		FDEDRO
C[C@@H]1COCCN1CCNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1	ZINC000262023830	672714061	/nfs/dbraw/zinc/71/40/61/672714061.db2.gz	YSRQIKQPZFRCJS-OAHLLOKOSA-N	1	0	365.909	1.497	20	30		FDEDRO
CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=[NH2+])Nc1cc(F)ccc1F	ZINC000262237154	672752123	/nfs/dbraw/zinc/75/21/23/672752123.db2.gz	ANJMCMNHXKSIBS-GWCFXTLKSA-N	1	0	360.430	1.799	20	30		FDEDRO
CN(C)C(=O)CNC(=[NH+]C[C@H]1CCOC1)N1CCC2(C1)CCCCC2	ZINC000262265806	672758287	/nfs/dbraw/zinc/75/82/87/672758287.db2.gz	FUARPIGWQHMDPV-MRXNPFEDSA-N	1	0	350.507	1.713	20	30		FDEDRO
CC[C@H](C)[NH+]=C(NCC(=O)N(C)C)N1CCN(c2cccs2)CC1	ZINC000262275164	672759988	/nfs/dbraw/zinc/75/99/88/672759988.db2.gz	HSUMIZAGHPULAD-AWEZNQCLSA-N	1	0	351.520	1.702	20	30		FDEDRO
CN(C)C(NCc1ccccc1)=[NH+]C[C@@H]1CCC[C@@H]1NS(C)(=O)=O	ZINC000262326528	672770274	/nfs/dbraw/zinc/77/02/74/672770274.db2.gz	AARSWEFOHAVIOJ-HOTGVXAUSA-N	1	0	352.504	1.412	20	30		FDEDRO
C[NH+]=C(NC[C@]1(O)CCSC1)N(C)Cc1nc2c(s1)CCCC2	ZINC000262371966	672778490	/nfs/dbraw/zinc/77/84/90/672778490.db2.gz	ITSNUIUKMLNPKX-MRXNPFEDSA-N	1	0	354.545	1.897	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@H]([C@@H]2CCOC2)C1	ZINC000262376344	672779168	/nfs/dbraw/zinc/77/91/68/672779168.db2.gz	JORGMPJLGXWKQQ-HRCADAONSA-N	1	0	357.520	1.134	20	30		FDEDRO
O=S1(=O)CC[C@@H](CNC(NCc2ccc(Cl)cn2)=[NH+]C2CC2)C1	ZINC000262378305	672779337	/nfs/dbraw/zinc/77/93/37/672779337.db2.gz	JYGLTVBHYZKKQI-NSHDSACASA-N	1	0	356.879	1.367	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C)C12CCCC2	ZINC000262380314	672779718	/nfs/dbraw/zinc/77/97/18/672779718.db2.gz	KHKHPVAYBUFEMY-QLFBSQMISA-N	1	0	357.520	1.324	20	30		FDEDRO
CC[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCc2c(F)cc(F)cc2C1	ZINC000262414076	672785511	/nfs/dbraw/zinc/78/55/11/672785511.db2.gz	PVNKRKRATWTMQW-GFCCVEGCSA-N	1	0	371.453	1.723	20	30		FDEDRO
CCC[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCc2ncsc2C1	ZINC000262448668	672791186	/nfs/dbraw/zinc/79/11/86/672791186.db2.gz	VPZCZQPPGPEBIW-GFCCVEGCSA-N	1	0	356.517	1.292	20	30		FDEDRO
CC[NH+]=C(NCCC1CCCC1)N1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000262522848	672802693	/nfs/dbraw/zinc/80/26/93/672802693.db2.gz	FPXVNXFNGKEIBT-KRWDZBQOSA-N	1	0	350.507	1.855	20	30		FDEDRO
C[NH+]=C(NCc1ccsc1)NC[C@]1(N2CCOCC2)CCSC1	ZINC000262732874	672837470	/nfs/dbraw/zinc/83/74/70/672837470.db2.gz	UWMSAHCYMKROFX-MRXNPFEDSA-N	1	0	354.545	1.621	20	30		FDEDRO
C[NH+]=C(NCc1ccc(O)cc1)N1CCS(=O)(=O)C2(CCCCC2)C1	ZINC000262773768	672846945	/nfs/dbraw/zinc/84/69/45/672846945.db2.gz	IRBUZRCUCWQEKG-UHFFFAOYSA-N	1	0	365.499	1.901	20	30		FDEDRO
C[C@H]1CCCN(C(=[NH2+])NCCNS(=O)(=O)c2ccc(F)cc2F)C1	ZINC000262792722	672850337	/nfs/dbraw/zinc/85/03/37/672850337.db2.gz	OQEOMGJBQNDNAL-NSHDSACASA-N	1	0	360.430	1.290	20	30		FDEDRO
COCCNC(=[NH2+])NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1	ZINC000264083966	672900627	/nfs/dbraw/zinc/90/06/27/672900627.db2.gz	IHQNDFVEPQJTHB-WFASDCNBSA-N	1	0	372.872	1.792	20	30		FDEDRO
C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000264230146	672904400	/nfs/dbraw/zinc/90/44/00/672904400.db2.gz	JRVSTSSGVQRZPI-CYBMUJFWSA-N	1	0	372.516	1.109	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)CC1	ZINC000264444788	672913424	/nfs/dbraw/zinc/91/34/24/672913424.db2.gz	XHWSOICTIHLDBL-ZDUSSCGKSA-N	1	0	366.487	1.345	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(C(=O)c2cc(Cl)c(Cl)[nH]2)CC1	ZINC000265062976	672928866	/nfs/dbraw/zinc/92/88/66/672928866.db2.gz	TZTPZXUFODZDJU-UHFFFAOYSA-N	1	0	357.241	1.219	20	30		FDEDRO
C=CCCC[N@@H+](C)CC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1	ZINC000265620865	672953626	/nfs/dbraw/zinc/95/36/26/672953626.db2.gz	NFLCBNNVCMWCMX-UHFFFAOYSA-N	1	0	369.487	1.782	20	30		FDEDRO
C[NH+]=C(NCCc1nc(C(F)(F)F)cs1)NCCN1CCOCC1	ZINC000267230521	673274303	/nfs/dbraw/zinc/27/43/03/673274303.db2.gz	RKTGDXXHWUNWDU-UHFFFAOYSA-N	1	0	365.425	1.202	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCCS(=O)(=O)C(C)(C)C)cc1OC	ZINC000267417920	673301553	/nfs/dbraw/zinc/30/15/53/673301553.db2.gz	JSRLYEPLJIHKGN-UHFFFAOYSA-N	1	0	357.476	1.321	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCCS(=O)(=O)C(C)(C)C)cc1OC	ZINC000267425451	673302617	/nfs/dbraw/zinc/30/26/17/673302617.db2.gz	LGVPPSWFGQVQQE-UHFFFAOYSA-N	1	0	371.503	1.364	20	30		FDEDRO
CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000278957341	675223944	/nfs/dbraw/zinc/22/39/44/675223944.db2.gz	ZYPGBDXGJCPMAA-NSHDSACASA-N	1	0	372.288	1.893	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F	ZINC000282769913	675639942	/nfs/dbraw/zinc/63/99/42/675639942.db2.gz	HROLGJCRYFAUMY-CYBMUJFWSA-N	1	0	374.457	1.665	20	30		FDEDRO
N#Cc1ncn(CC[NH2+]Cc2cc3c(cc2Br)OCO3)n1	ZINC000285619972	675836823	/nfs/dbraw/zinc/83/68/23/675836823.db2.gz	WKZSNRCRMCWDKJ-UHFFFAOYSA-N	1	0	350.176	1.431	20	30		FDEDRO
C[C@@H](C[NH3+])C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1	ZINC000285647016	675838101	/nfs/dbraw/zinc/83/81/01/675838101.db2.gz	HAZNGBYJWZKYAN-GJEKEPIOSA-N	1	0	366.487	1.813	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc1	ZINC000286076361	675868759	/nfs/dbraw/zinc/86/87/59/675868759.db2.gz	MNJSSUPCGRNKTJ-XJKCOSOUSA-N	1	0	351.472	1.267	20	30		FDEDRO
C[NH+](C)CCN1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1	ZINC000292825000	676318152	/nfs/dbraw/zinc/31/81/52/676318152.db2.gz	QADXSRHZRZTXCF-UHFFFAOYSA-N	1	0	355.364	1.291	20	30		FDEDRO
C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3c(F)cc(C#N)cc3F)C2)C1	ZINC000292922729	676328481	/nfs/dbraw/zinc/32/84/81/676328481.db2.gz	YEVVQWHKCQPKOV-MRXNPFEDSA-N	1	0	355.410	1.943	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCCCC[N@H+]2CCC[C@@H]2CO)cc1F	ZINC000293172950	676336342	/nfs/dbraw/zinc/33/63/42/676336342.db2.gz	CRPLKPSOTPRTBF-CQSZACIVSA-N	1	0	355.435	1.213	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CSc1nncn1-c1ccc(C)cc1	ZINC000293899322	676369771	/nfs/dbraw/zinc/36/97/71/676369771.db2.gz	FCYRIQZDYLXCFG-UHFFFAOYSA-N	1	0	357.483	1.739	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)c1ccccc1NS(C)(=O)=O	ZINC000297208420	676425154	/nfs/dbraw/zinc/42/51/54/676425154.db2.gz	DICUWRCVLBMFME-AWEZNQCLSA-N	1	0	366.487	1.373	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCOC[C@H]1C[C@H](O)c1cccs1	ZINC000297501064	676426647	/nfs/dbraw/zinc/42/66/47/676426647.db2.gz	OGCCTHBDLPPURJ-CVEARBPZSA-N	1	0	365.499	1.537	20	30		FDEDRO
CCOCCCNC(=[NH2+])NC[C@H](c1ccc(F)cc1)N1CCOCC1	ZINC000303793759	676542967	/nfs/dbraw/zinc/54/29/67/676542967.db2.gz	ZTJVCXDGNWUYBF-QGZVFWFLSA-N	1	0	352.454	1.530	20	30		FDEDRO
CCOCCCNC(=[NH2+])NC[C@@H](c1ccc(F)cc1)N1CCOCC1	ZINC000303793756	676543163	/nfs/dbraw/zinc/54/31/63/676543163.db2.gz	ZTJVCXDGNWUYBF-KRWDZBQOSA-N	1	0	352.454	1.530	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCC3(C)OCCO3)=[NH+]C[C@H]2C1	ZINC000305838568	676545437	/nfs/dbraw/zinc/54/54/37/676545437.db2.gz	YBNCHRCAZNAERF-ZDUSSCGKSA-N	1	0	354.451	1.020	20	30		FDEDRO
O=C(CN1CCC(=O)NC1=O)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000328634479	676600221	/nfs/dbraw/zinc/60/02/21/676600221.db2.gz	BNYBTOFBKQLAKZ-UHFFFAOYSA-N	1	0	352.435	1.760	20	30		FDEDRO
C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@@]2(N3CCOCC3)CCSC2)C1	ZINC000328658336	676600971	/nfs/dbraw/zinc/60/09/71/676600971.db2.gz	QWDLIDHEAKXURF-AEFFLSMTSA-N	1	0	370.563	1.430	20	30		FDEDRO
CNC(=O)NC1CN(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1	ZINC000328698079	676602967	/nfs/dbraw/zinc/60/29/67/676602967.db2.gz	LOSZSNGMSSCADS-UHFFFAOYSA-N	1	0	351.495	1.764	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(c3nc(C)c(C)s3)CC2)C1	ZINC000328703056	676603153	/nfs/dbraw/zinc/60/31/53/676603153.db2.gz	XQBWUAWPYQYSFP-OAHLLOKOSA-N	1	0	367.519	1.517	20	30		FDEDRO
O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1C[C@@H]2COC[C@H](C1)O2	ZINC000328729529	676604465	/nfs/dbraw/zinc/60/44/65/676604465.db2.gz	HMPZICUHOBEPKS-OAGGEKHMSA-N	1	0	365.499	1.974	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)C1	ZINC000328875906	676610485	/nfs/dbraw/zinc/61/04/85/676610485.db2.gz	JYMAEDKRAIUPQQ-INMHGKMJSA-N	1	0	352.479	1.744	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CCN(C(=O)NC3CCCCC3)CC2)[N@H+](C)C1	ZINC000328935859	676612496	/nfs/dbraw/zinc/61/24/96/676612496.db2.gz	FTNZYGTYMNXJEH-HOTGVXAUSA-N	1	0	352.479	1.096	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)C1	ZINC000328955990	676613803	/nfs/dbraw/zinc/61/38/03/676613803.db2.gz	OXCKASGLDNTOGK-SFNKJDCFSA-N	1	0	353.507	1.884	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C1	ZINC000329111746	676620425	/nfs/dbraw/zinc/62/04/25/676620425.db2.gz	GWPCKSGVFAYWES-ACJLOTCBSA-N	1	0	350.463	1.988	20	30		FDEDRO
C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)C1	ZINC000329115800	676620664	/nfs/dbraw/zinc/62/06/64/676620664.db2.gz	IIGFKCHGTHKIMK-ZNMIVQPWSA-N	1	0	351.495	1.713	20	30		FDEDRO
C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1nc(CN2CCOCC2)cs1	ZINC000329117053	676620955	/nfs/dbraw/zinc/62/09/55/676620955.db2.gz	UHKZBEXRWZDGPN-ZFWWWQNUSA-N	1	0	365.503	1.689	20	30		FDEDRO
CC(C)N1C(=O)N[C@@H]2CN(C(=O)NC[C@@H](C)C[NH+]3CCCC3)CC[C@@H]21	ZINC000329130189	676621557	/nfs/dbraw/zinc/62/15/57/676621557.db2.gz	OFNYMNRDBAKSNF-OAGGEKHMSA-N	1	0	351.495	1.713	20	30		FDEDRO
C[C@H](C(=O)Nc1nccs1)N1CCC[C@](O)(C(=O)N2CCCC2)C1	ZINC000329147277	676622562	/nfs/dbraw/zinc/62/25/62/676622562.db2.gz	XSJHSMZOVSADBB-MLGOLLRUSA-N	1	0	352.460	1.569	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccc4nsnc4c3)CC2)C1=O	ZINC000329192803	676624214	/nfs/dbraw/zinc/62/42/14/676624214.db2.gz	SFNONUDRWHVWMT-OAHLLOKOSA-N	1	0	359.455	1.691	20	30		FDEDRO
C[C@H](NC(=O)CN1C[C@H]([NH+]2CCCC2)C[C@H]1C)C(=O)N1CCCCC1	ZINC000329211124	676625514	/nfs/dbraw/zinc/62/55/14/676625514.db2.gz	ZWMHYCRTVBNOSG-IXDOHACOSA-N	1	0	350.507	1.903	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)N2CC[C@H](C(=O)N3CCCC3)C2)CCSC1	ZINC000329233369	676627252	/nfs/dbraw/zinc/62/72/52/676627252.db2.gz	LYFKSOKOZGGOIL-YOEHRIQHSA-N	1	0	354.520	1.282	20	30		FDEDRO
O=C(NC1CC[NH+](CC2CC2)CC1)N1CCN(CC(F)(F)F)C(=O)C1	ZINC000329307290	676632384	/nfs/dbraw/zinc/63/23/84/676632384.db2.gz	YGDJQMXKDXXZGF-UHFFFAOYSA-N	1	0	362.396	1.481	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCCCC[C@H]2O)CC1=O	ZINC000329342403	676634156	/nfs/dbraw/zinc/63/41/56/676634156.db2.gz	SNWVQOKAPXORON-QBPKDAKJSA-N	1	0	351.491	1.969	20	30		FDEDRO
C[C@@H](C(=O)NCCc1csc(N2CCCC2)n1)N1CCN(C)CC1	ZINC000329407546	676637394	/nfs/dbraw/zinc/63/73/94/676637394.db2.gz	CMWLROWIWZAPRB-AWEZNQCLSA-N	1	0	351.520	1.878	20	30		FDEDRO
O=C(N[C@@H](CO)C[NH+]1CCCCC1)[C@H]1CSCN1C(=O)C1CCCC1	ZINC000329491368	676641151	/nfs/dbraw/zinc/64/11/51/676641151.db2.gz	ZFYVOLZCMXXIDI-HZPDHXFCSA-N	1	0	369.531	1.881	20	30		FDEDRO
Cc1noc([C@@H](NC(=O)N(C)CC[NH+]2CCCC2)C2CCOCC2)n1	ZINC000329508160	676641789	/nfs/dbraw/zinc/64/17/89/676641789.db2.gz	LYCGUKNMWFLQFU-HNNXBMFYSA-N	1	0	351.451	1.787	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCOCC2(CCC2)C1	ZINC000329514103	676642079	/nfs/dbraw/zinc/64/20/79/676642079.db2.gz	LUGKCHWVEIEMKD-IAGOWNOFSA-N	1	0	351.491	1.781	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3nc4c(s3)COCC4)C2)CC1	ZINC000329558408	676643919	/nfs/dbraw/zinc/64/39/19/676643919.db2.gz	LKUXMQHGFLPWNP-CYBMUJFWSA-N	1	0	365.503	1.473	20	30		FDEDRO
Cc1nccc(N2CCN(C(=O)NC[C@@]3([NH+](C)C)CCSC3)CC2)n1	ZINC000329569940	676644615	/nfs/dbraw/zinc/64/46/15/676644615.db2.gz	MBKLDWRGEDSFRA-KRWDZBQOSA-N	1	0	364.519	1.258	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)CC1	ZINC000329636379	676647362	/nfs/dbraw/zinc/64/73/62/676647362.db2.gz	VBYSDLFNAMKCST-UHFFFAOYSA-N	1	0	357.520	1.818	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O	ZINC000329694706	676649791	/nfs/dbraw/zinc/64/97/91/676649791.db2.gz	CUVXTYIWQLIBPT-XDNAFOTISA-N	1	0	352.523	1.552	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)[C@H](C)C1	ZINC000329708270	676650727	/nfs/dbraw/zinc/65/07/27/676650727.db2.gz	MCVVBGKAEJOJJX-HLPPOEQASA-N	1	0	354.495	1.821	20	30		FDEDRO
O=C(NC[C@H](c1ccccc1)N1CCCC1)N[C@H]1CCCS(=O)(=O)C1	ZINC000329727115	676651951	/nfs/dbraw/zinc/65/19/51/676651951.db2.gz	CIVAUKHYAWQPDE-DLBZAZTESA-N	1	0	365.499	1.904	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)CC[N@@H+]1C	ZINC000329784050	676655984	/nfs/dbraw/zinc/65/59/84/676655984.db2.gz	VPTZWTLVKALHKI-CABCVRRESA-N	1	0	357.520	1.816	20	30		FDEDRO
CC1(C)C(=O)NC(=O)N1CC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000329839779	676660155	/nfs/dbraw/zinc/66/01/55/676660155.db2.gz	NXFYUQHAVLSZGX-GFCCVEGCSA-N	1	0	352.435	1.615	20	30		FDEDRO
Cc1noc([C@H]2C[C@@H](O)CN2C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)n1	ZINC000329898076	676662967	/nfs/dbraw/zinc/66/29/67/676662967.db2.gz	DMDOCVWPNGWZHX-RBSFLKMASA-N	1	0	351.451	1.520	20	30		FDEDRO
Cn1ccnc1[C@H]1CN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CCN1C	ZINC000329941524	676664741	/nfs/dbraw/zinc/66/47/41/676664741.db2.gz	CFDVPIGIJVOSKY-RHSMWYFYSA-N	1	0	366.535	1.060	20	30		FDEDRO
C[NH+]1CCN(Cc2cccc(C(=O)N[C@H]3CCCS(=O)(=O)C3)c2)CC1	ZINC000329965952	676666207	/nfs/dbraw/zinc/66/62/07/676666207.db2.gz	UQQBRQKADDUJJA-KRWDZBQOSA-N	1	0	365.499	1.316	20	30		FDEDRO
C[C@@H](CNC(=O)N1CC(=O)N(CC(F)(F)F)C1)[NH+]1CCC(C)CC1	ZINC000330136329	676674813	/nfs/dbraw/zinc/67/48/13/676674813.db2.gz	NFXAKQLPGOOUIA-LBPRGKRZSA-N	1	0	350.385	1.685	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CC(=O)N(CC(F)(F)F)C2)C1	ZINC000330171112	676676454	/nfs/dbraw/zinc/67/64/54/676676454.db2.gz	FDFLQTBHPBMLLK-LBPRGKRZSA-N	1	0	350.385	1.685	20	30		FDEDRO
C[N@@H+]1CC[C@]2(CCN(C(=O)N[C@H]3CCCN(CC(F)(F)F)C3=O)C2)C1	ZINC000330205054	676678308	/nfs/dbraw/zinc/67/83/08/676678308.db2.gz	DCDYODFQJLFALZ-WFASDCNBSA-N	1	0	362.396	1.481	20	30		FDEDRO
COCCN1CCN(C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)C[C@H]1C	ZINC000330235601	676680141	/nfs/dbraw/zinc/68/01/41/676680141.db2.gz	TYUOPNYCRCKSHH-BFYDXBDKSA-N	1	0	357.520	1.608	20	30		FDEDRO
Cc1cnc(C2CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CC2)s1	ZINC000330329318	676684349	/nfs/dbraw/zinc/68/43/49/676684349.db2.gz	MKRHHUKITNSENR-OAHLLOKOSA-N	1	0	351.520	1.791	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1	ZINC000330558477	676696586	/nfs/dbraw/zinc/69/65/86/676696586.db2.gz	ILZYICLTWMUWGW-QFBILLFUSA-N	1	0	351.491	1.249	20	30		FDEDRO
C[NH+](C)C1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1	ZINC000330617047	676698205	/nfs/dbraw/zinc/69/82/05/676698205.db2.gz	WQBGYJDYMFETKU-UHFFFAOYSA-N	1	0	364.471	1.045	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCCN2S(=O)(=O)CCC)CC1	ZINC000330638951	676699145	/nfs/dbraw/zinc/69/91/45/676699145.db2.gz	BYQSIRGGOVYWQL-INIZCTEOSA-N	1	0	357.520	1.347	20	30		FDEDRO
CS[C@@H]1CN(C(=O)CNC(=O)Nc2cccc(C)c2)C[C@H]1[NH+](C)C	ZINC000330648033	676699502	/nfs/dbraw/zinc/69/95/02/676699502.db2.gz	HRPBJCGHMPHEBD-HUUCEWRRSA-N	1	0	350.488	1.825	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(O)(C(F)(F)F)CC1	ZINC000330696954	676700919	/nfs/dbraw/zinc/70/09/19/676700919.db2.gz	DYVOAZUSRXKIQY-GFCCVEGCSA-N	1	0	353.385	1.400	20	30		FDEDRO
C[N@H+](CCO)C1CCN(C(=O)Nc2cccc(S(C)(=O)=O)c2)CC1	ZINC000330706056	676701532	/nfs/dbraw/zinc/70/15/32/676701532.db2.gz	LJSMKJZZALNWTN-UHFFFAOYSA-N	1	0	355.460	1.024	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2nccn2CC(F)(F)F)C[C@@H]1C	ZINC000330827459	676705437	/nfs/dbraw/zinc/70/54/37/676705437.db2.gz	FXTQXXZGFPYANC-RYUDHWBXSA-N	1	0	363.384	1.246	20	30		FDEDRO
C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC[C@@H]([NH+]2CCCC2)C1	ZINC000330854800	676706699	/nfs/dbraw/zinc/70/66/99/676706699.db2.gz	HKKKTBJTDJQMOR-VXGBXAGGSA-N	1	0	350.385	1.528	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC[N@@H+]1C	ZINC000330914504	676710187	/nfs/dbraw/zinc/71/01/87/676710187.db2.gz	SRISVSNUTYRZRH-DZGCQCFKSA-N	1	0	364.471	1.091	20	30		FDEDRO
NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CC[C@@](O)(C(F)(F)F)C2)C1	ZINC000331093354	676716414	/nfs/dbraw/zinc/71/64/14/676716414.db2.gz	YHTFXERIJSDCSV-RISCZKNCSA-N	1	0	366.384	1.537	20	30		FDEDRO
CCOC(=O)c1cnc(NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)n1C	ZINC000331234311	676723151	/nfs/dbraw/zinc/72/31/51/676723151.db2.gz	KONCROHRNALKHH-STQMWFEESA-N	1	0	351.451	1.804	20	30		FDEDRO
C[C@H]1CCN(S(=O)(=O)N(C)CCC#N)CC[N@@H+]1Cc1ccccc1	ZINC000332232226	676737561	/nfs/dbraw/zinc/73/75/61/676737561.db2.gz	PHESQDYAGOHRKI-INIZCTEOSA-N	1	0	350.488	1.673	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1	ZINC000332383264	676741016	/nfs/dbraw/zinc/74/10/16/676741016.db2.gz	GMVWWDJEZWWLEN-ILXRZTDVSA-N	1	0	360.549	1.224	20	30		FDEDRO
C[C@H](CNS(=O)(=O)CC1(C#N)CCCCC1)CN1CC[NH+](C)CC1	ZINC000332652046	676743559	/nfs/dbraw/zinc/74/35/59/676743559.db2.gz	YWYIXYRISRUANO-MRXNPFEDSA-N	1	0	356.536	1.263	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1	ZINC000332685765	676744237	/nfs/dbraw/zinc/74/42/37/676744237.db2.gz	IZPNDMOZNJGLHO-HZPDHXFCSA-N	1	0	364.515	1.749	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(F)cc1C#N	ZINC000360455670	676868077	/nfs/dbraw/zinc/86/80/77/676868077.db2.gz	SHSMAVIEOUWORJ-PMPSAXMXSA-N	1	0	367.446	1.570	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000362388736	676916800	/nfs/dbraw/zinc/91/68/00/676916800.db2.gz	ITNCJDXDBTYSMM-CVEARBPZSA-N	1	0	363.483	1.508	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1	ZINC000363791439	676973298	/nfs/dbraw/zinc/97/32/98/676973298.db2.gz	CUBIVUMGHPWYMJ-UHFFFAOYSA-N	1	0	350.551	1.761	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH+]1CCC(Cn2cc(Br)cn2)CC1	ZINC000364914295	677063424	/nfs/dbraw/zinc/06/34/24/677063424.db2.gz	NHJHPZOJWXQSMJ-GFCCVEGCSA-N	1	0	353.264	1.496	20	30		FDEDRO
N#Cc1cc(F)c(S(=O)(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c(F)c1	ZINC000370465367	677580916	/nfs/dbraw/zinc/58/09/16/677580916.db2.gz	SLKVKXYEVBFVLP-ZENOOKHLSA-N	1	0	367.421	1.941	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(C2CC2)C2CC[NH2+]CC2)c1	ZINC000370788226	677614673	/nfs/dbraw/zinc/61/46/73/677614673.db2.gz	QHZFXRXPOHXYSS-UHFFFAOYSA-N	1	0	363.483	1.508	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)[NH2+]C[C@@]1(N2CCOCC2)CCCOC1	ZINC000372007318	677826842	/nfs/dbraw/zinc/82/68/42/677826842.db2.gz	UFTPRGZXZXMSTN-HKUYNNGSSA-N	1	0	351.491	1.047	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NCC(C)(C)CC#N	ZINC000422485988	680731969	/nfs/dbraw/zinc/73/19/69/680731969.db2.gz	FJWMEWGHOWSPAF-UHFFFAOYSA-N	1	0	350.488	1.694	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)NC1CC[NH+](CC2CCCCC2)CC1	ZINC000373283375	678057582	/nfs/dbraw/zinc/05/75/82/678057582.db2.gz	GJRNPKYUZMIVPD-UHFFFAOYSA-N	1	0	371.547	1.931	20	30		FDEDRO
C[N@@H+]1CC[C@H](CNC(=O)NCC(=O)NCC#N)[C@H]1c1cccc(Cl)c1	ZINC000376318183	678272336	/nfs/dbraw/zinc/27/23/36/678272336.db2.gz	ZROWGVCBELCOFD-CZUORRHYSA-N	1	0	363.849	1.272	20	30		FDEDRO
C[N@@H+]1CC[C@H](CNC(=O)NCC(=O)NCC#N)[C@@H]1c1cccc(Cl)c1	ZINC000376318182	678272453	/nfs/dbraw/zinc/27/24/53/678272453.db2.gz	ZROWGVCBELCOFD-CJNGLKHVSA-N	1	0	363.849	1.272	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@](CO)(C(C)C)C2)CC1	ZINC000377623497	678576762	/nfs/dbraw/zinc/57/67/62/678576762.db2.gz	FEXVZOHCZOEJNI-MJGOQNOKSA-N	1	0	350.507	1.019	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1	ZINC000378345287	678741935	/nfs/dbraw/zinc/74/19/35/678741935.db2.gz	ISHBEPUXGCTRAZ-HNNXBMFYSA-N	1	0	362.499	1.347	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1	ZINC000409487298	678848733	/nfs/dbraw/zinc/84/87/33/678848733.db2.gz	QZSCDRGOKLIZNW-UHFFFAOYSA-N	1	0	365.503	1.710	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000409545953	678857612	/nfs/dbraw/zinc/85/76/12/678857612.db2.gz	BDUZYXZYMPEXNL-UHFFFAOYSA-N	1	0	363.487	1.402	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1	ZINC000409569248	678861901	/nfs/dbraw/zinc/86/19/01/678861901.db2.gz	DHPKIWLQWLEEMY-DOTOQJQBSA-N	1	0	350.488	1.892	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1	ZINC000409596201	678866146	/nfs/dbraw/zinc/86/61/46/678866146.db2.gz	SAKJDUXCJQEQBV-HOTGVXAUSA-N	1	0	360.524	1.051	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1	ZINC000410157233	678887350	/nfs/dbraw/zinc/88/73/50/678887350.db2.gz	JBPDHJOKCVKTAH-INIZCTEOSA-N	1	0	352.504	1.967	20	30		FDEDRO
COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)N(C)C[C@@H](C)C#N)c1	ZINC000410397332	678893071	/nfs/dbraw/zinc/89/30/71/678893071.db2.gz	HIYXIWSHOPOXHC-HNNXBMFYSA-N	1	0	368.503	1.395	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(OC)c1	ZINC000410397319	678893107	/nfs/dbraw/zinc/89/31/07/678893107.db2.gz	GZWUZLYOAUQATQ-UHFFFAOYSA-N	1	0	368.503	1.539	20	30		FDEDRO
C=CC[N@@H+](C)CCN(CC)CC(=O)N1CCN(Cc2cccs2)CC1	ZINC000411645611	679056575	/nfs/dbraw/zinc/05/65/75/679056575.db2.gz	SZRJPBAUXHEOJL-UHFFFAOYSA-N	1	0	364.559	1.832	20	30		FDEDRO
C[C@H]([NH2+][C@@H](CO)[C@H]1CCCOC1)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000411998174	679140430	/nfs/dbraw/zinc/14/04/30/679140430.db2.gz	VNOHPSABNAETQC-RBOXIYTFSA-N	1	0	351.834	1.916	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NCc1nc2cc(Br)cnc2[nH]1	ZINC000424139091	680830574	/nfs/dbraw/zinc/83/05/74/680830574.db2.gz	DWIXWDMFASLSPH-SECBINFHSA-N	1	0	351.208	1.358	20	30		FDEDRO
C=CC1CCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1	ZINC000413633513	679286990	/nfs/dbraw/zinc/28/69/90/679286990.db2.gz	FDPLAQADOCKIKB-UHFFFAOYSA-N	1	0	350.507	1.391	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCC[NH2+]C2)cc1	ZINC000414897560	679373388	/nfs/dbraw/zinc/37/33/88/679373388.db2.gz	ROJFUOZUVSFBHF-CQSZACIVSA-N	1	0	366.487	1.614	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCC[NH2+]C2CC2)cc1	ZINC000414897911	679373420	/nfs/dbraw/zinc/37/34/20/679373420.db2.gz	SICHQOFZCZFPIR-UHFFFAOYSA-N	1	0	366.487	1.757	20	30		FDEDRO
C[NH2+]CCN(C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	ZINC000414912654	679373807	/nfs/dbraw/zinc/37/38/07/679373807.db2.gz	KNPYNLRXSIATEU-UHFFFAOYSA-N	1	0	362.484	2.385	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)cc1Br	ZINC000415438179	679431312	/nfs/dbraw/zinc/43/13/12/679431312.db2.gz	BDRYVRDYYYWJEF-LBPRGKRZSA-N	1	0	351.204	1.113	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)cc1Br	ZINC000415617826	679465926	/nfs/dbraw/zinc/46/59/26/679465926.db2.gz	CONRFCAWOWXXRH-LLVKDONJSA-N	1	0	365.231	1.518	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)ccc1Br	ZINC000415616883	679465934	/nfs/dbraw/zinc/46/59/34/679465934.db2.gz	AWXXHOQRQFAAGC-LLVKDONJSA-N	1	0	365.231	1.518	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1Br	ZINC000415649237	679471433	/nfs/dbraw/zinc/47/14/33/679471433.db2.gz	PMCPVGXXHMETPW-MNOVXSKESA-N	1	0	365.231	1.645	20	30		FDEDRO
CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000415658521	679473175	/nfs/dbraw/zinc/47/31/75/679473175.db2.gz	PXGOIKIOSQYDNH-SECBINFHSA-N	1	0	358.320	1.510	20	30		FDEDRO
COC[C@]1(CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CCC[NH2+]1	ZINC000415701630	679481912	/nfs/dbraw/zinc/48/19/12/679481912.db2.gz	BYGAITFEEXOSAN-MRXNPFEDSA-N	1	0	350.806	1.035	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)cc1Br	ZINC000415874527	679531546	/nfs/dbraw/zinc/53/15/46/679531546.db2.gz	XCCNYJBXOZUUHL-GFCCVEGCSA-N	1	0	365.231	1.518	20	30		FDEDRO
C=C(C)[C@@H](NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)c1ccc(F)c(F)c1	ZINC000419677434	680317346	/nfs/dbraw/zinc/31/73/46/680317346.db2.gz	MTESSKYRZIGOOU-BLLLJJGKSA-N	1	0	351.397	1.814	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N1CCC([NH2+]C)CC1)c1ccc(F)c(F)c1	ZINC000419685610	680320380	/nfs/dbraw/zinc/32/03/80/680320380.db2.gz	XSGHLJRCIRBZOK-INIZCTEOSA-N	1	0	351.397	1.909	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1	ZINC000421017706	680589279	/nfs/dbraw/zinc/58/92/79/680589279.db2.gz	LYICEKQIYYUGPO-RDBSUJKOSA-N	1	0	353.463	1.686	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc1	ZINC000425042959	680870457	/nfs/dbraw/zinc/87/04/57/680870457.db2.gz	FARUJULVNSEZHJ-DOTOQJQBSA-N	1	0	363.483	1.317	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C	ZINC000425864302	680937242	/nfs/dbraw/zinc/93/72/42/680937242.db2.gz	BGMHLZWIAXPCOT-IKGGRYGDSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000425868899	680937723	/nfs/dbraw/zinc/93/77/23/680937723.db2.gz	JCIZZCZIJXMIMK-YVSFHVDLSA-N	1	0	351.491	1.178	20	30		FDEDRO
Cc1oc(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c(C#N)c1C	ZINC000429706847	681045062	/nfs/dbraw/zinc/04/50/62/681045062.db2.gz	FNGJFOKFCWUDEC-KGLIPLIRSA-N	1	0	368.459	1.157	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C	ZINC000430385555	681074404	/nfs/dbraw/zinc/07/44/04/681074404.db2.gz	NMNJDXCAUJDJPA-YVSFHVDLSA-N	1	0	351.491	1.273	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)c2ccc(C#N)s2)CC1	ZINC000430890332	681098342	/nfs/dbraw/zinc/09/83/42/681098342.db2.gz	RUDJELUNNSCWGQ-UHFFFAOYSA-N	1	0	362.499	1.976	20	30		FDEDRO
C=CCC(C)(C)CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C	ZINC000432562645	681158841	/nfs/dbraw/zinc/15/88/41/681158841.db2.gz	MTDPFYDRVITURM-MQVJKMGUSA-N	1	0	350.507	1.972	20	30		FDEDRO
C[C@@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)[C@@H]1CCC[NH2+]C1	ZINC000440355971	681990985	/nfs/dbraw/zinc/99/09/85/681990985.db2.gz	NUXTYXIOLVLTRV-ZYHUDNBSSA-N	1	0	372.288	1.987	20	30		FDEDRO
C[NH2+]CCC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1	ZINC000440846008	682033120	/nfs/dbraw/zinc/03/31/20/682033120.db2.gz	MINYZJIFARBRNZ-UHFFFAOYSA-N	1	0	352.416	1.477	20	30		FDEDRO
C[N@@H+]1CCN(CCNS(=O)(=O)Cc2ccc(C#N)cc2F)CC1(C)C	ZINC000443094783	682233353	/nfs/dbraw/zinc/23/33/53/682233353.db2.gz	PPOSSVDNJIAOJW-UHFFFAOYSA-N	1	0	368.478	1.143	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NCC2([NH+](C)C)CCC2)c1	ZINC000445709345	682463112	/nfs/dbraw/zinc/46/31/12/682463112.db2.gz	KKMPYQIHLABMGZ-UHFFFAOYSA-N	1	0	351.472	1.365	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cn(C)nc2C(F)(F)F)CC1	ZINC000446669759	682509162	/nfs/dbraw/zinc/50/91/62/682509162.db2.gz	GAAXSUYAIOPCGJ-UHFFFAOYSA-N	1	0	359.352	1.144	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cccc(C#N)c1Br	ZINC000448930819	682649302	/nfs/dbraw/zinc/64/93/02/682649302.db2.gz	SVAUTVFWUXXFHL-LBPRGKRZSA-N	1	0	365.275	1.686	20	30		FDEDRO
CC[NH+]1CCN(CCNC(=O)c2cccc(C#N)c2Br)CC1	ZINC000448973476	682654383	/nfs/dbraw/zinc/65/43/83/682654383.db2.gz	BLFGAEXVBPYEPH-UHFFFAOYSA-N	1	0	365.275	1.688	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H](C)[C@H](C)CO	ZINC000450731656	682777013	/nfs/dbraw/zinc/77/70/13/682777013.db2.gz	ZRSJDOYUDQNIHB-OCCSQVGLSA-N	1	0	350.463	1.558	20	30		FDEDRO
N#Cc1cccc(C(=O)NC[C@H]2CCC[N@H+]2CCCO)c1Br	ZINC000452342866	683053415	/nfs/dbraw/zinc/05/34/15/683053415.db2.gz	JEMRYPTWYUJLSH-CYBMUJFWSA-N	1	0	366.259	1.897	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)C(=O)Nc2cnc(C#N)c(Cl)c2)CCCCC1	ZINC000453577747	683166111	/nfs/dbraw/zinc/16/61/11/683166111.db2.gz	NRJAWZVDNUIMNA-UHFFFAOYSA-N	1	0	363.849	1.926	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1	ZINC000459039416	684359990	/nfs/dbraw/zinc/35/99/90/684359990.db2.gz	ICYLAXDFVIPJET-NXHRZFHOSA-N	1	0	350.507	1.530	20	30		FDEDRO
N#Cc1c(NC(=O)CC[N@@H+]2C[C@H](O)[C@@H](CO)C2)sc2c1CCCCC2	ZINC000459717329	684449899	/nfs/dbraw/zinc/44/98/99/684449899.db2.gz	WWEPXCFYMMZXSM-DOMZBBRYSA-N	1	0	363.483	1.502	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1	ZINC000459861148	684472243	/nfs/dbraw/zinc/47/22/43/684472243.db2.gz	CGYPKUHTBHOOSN-AWEZNQCLSA-N	1	0	351.472	1.052	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1	ZINC000462491855	684643699	/nfs/dbraw/zinc/64/36/99/684643699.db2.gz	SKVCOOFWWPJYJQ-HIFRSBDPSA-N	1	0	351.472	1.363	20	30		FDEDRO
CC[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C[C@@H](C)OC	ZINC000463425400	684690363	/nfs/dbraw/zinc/69/03/63/684690363.db2.gz	JCYYEQQDULGGGT-CVEARBPZSA-N	1	0	364.515	1.814	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1	ZINC000481003808	686278000	/nfs/dbraw/zinc/27/80/00/686278000.db2.gz	ARGJDFYWISILCI-HOTGVXAUSA-N	1	0	353.507	1.568	20	30		FDEDRO
C[NH+](C)[C@]1(CNS(=O)(=O)Cc2ccc(C#N)cc2F)CCSC1	ZINC000481068615	686288326	/nfs/dbraw/zinc/28/83/26/686288326.db2.gz	IUFZLJUGISAYRQ-HNNXBMFYSA-N	1	0	357.476	1.554	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2cnc(C)c(C#N)c2)CC1	ZINC000489270270	687087761	/nfs/dbraw/zinc/08/77/61/687087761.db2.gz	MYGXNWABEPMUDK-UHFFFAOYSA-N	1	0	366.487	1.429	20	30		FDEDRO
C[C@@H]1OCC[C@@]1(C)[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000494270606	687516508	/nfs/dbraw/zinc/51/65/08/687516508.db2.gz	IUROTWAMVMEXSP-RLFYNMQTSA-N	1	0	362.499	1.614	20	30		FDEDRO
Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000494643068	687562281	/nfs/dbraw/zinc/56/22/81/687562281.db2.gz	MQCSTCJGIQDATE-CVEARBPZSA-N	1	0	364.515	1.372	20	30		FDEDRO
C[C@@H]1CC[N@H+](C)CCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000498735396	687846352	/nfs/dbraw/zinc/84/63/52/687846352.db2.gz	CWYRUFYSJZTORV-CQSZACIVSA-N	1	0	364.471	1.045	20	30		FDEDRO
COc1ccc(COC[C@@H](O)C[NH+]2CCC(F)(C#N)CC2)cc1OC	ZINC000510945580	689441027	/nfs/dbraw/zinc/44/10/27/689441027.db2.gz	ASDBIWCILNQVHJ-HNNXBMFYSA-N	1	0	352.406	1.909	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](CO)Cc2ccc(F)cc2)nc1	ZINC000516291352	689939612	/nfs/dbraw/zinc/93/96/12/689939612.db2.gz	RJBVUWRPQKCNRX-MRXNPFEDSA-N	1	0	363.414	1.059	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)CC1	ZINC000517341677	690057386	/nfs/dbraw/zinc/05/73/86/690057386.db2.gz	PPBJSXIGNIAFDR-UHFFFAOYSA-N	1	0	350.507	1.925	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1	ZINC000517776964	690095506	/nfs/dbraw/zinc/09/55/06/690095506.db2.gz	VBIHAYAIUWBLEM-IRXDYDNUSA-N	1	0	351.491	1.295	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CS(=O)(=O)c1ccc(Cl)cc1	ZINC000517864164	690098328	/nfs/dbraw/zinc/09/83/28/690098328.db2.gz	JVDZPXOLUZEUJH-UHFFFAOYSA-N	1	0	371.890	1.808	20	30		FDEDRO
N#Cc1ccsc1NC(=O)CCN1CCC(CO)([NH2+]CC2CC2)CC1	ZINC000520234810	690299633	/nfs/dbraw/zinc/29/96/33/690299633.db2.gz	FPHLAPRGMOWVMB-UHFFFAOYSA-N	1	0	362.499	1.775	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1	ZINC000521859333	694441914	/nfs/dbraw/zinc/44/19/14/694441914.db2.gz	SIYLBROXZCIYLF-HNNXBMFYSA-N	1	0	360.845	1.797	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1	ZINC000527902791	694693290	/nfs/dbraw/zinc/69/32/90/694693290.db2.gz	SNFYRRFYJLFSNZ-IRXDYDNUSA-N	1	0	351.491	1.864	20	30		FDEDRO
N#Cc1cc(NC(=O)NC[C@H]2COCC[NH2+]2)ccc1OCC(F)(F)F	ZINC000528670831	694741775	/nfs/dbraw/zinc/74/17/75/694741775.db2.gz	SFNHEUQIQAQMDY-LBPRGKRZSA-N	1	0	358.320	1.609	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2ccc3c(c2)CCS3(=O)=O)CC1	ZINC000531803940	694850746	/nfs/dbraw/zinc/85/07/46/694850746.db2.gz	WXUHLFXGOGRLAV-UHFFFAOYSA-N	1	0	363.483	1.466	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCCC[C@@H]([NH3+])C2)cc1	ZINC000638823242	695403204	/nfs/dbraw/zinc/40/32/04/695403204.db2.gz	KPLPEYMUPXGWQT-OAHLLOKOSA-N	1	0	351.472	1.494	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)n1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1	ZINC000640884313	695640518	/nfs/dbraw/zinc/64/05/18/695640518.db2.gz	XOVRNWMFZXCIHD-QMTHXVAHSA-N	1	0	364.247	1.952	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000641344135	696059630	/nfs/dbraw/zinc/05/96/30/696059630.db2.gz	UKKNJLNVNIEMFU-NVXWUHKLSA-N	1	0	365.499	1.186	20	30		FDEDRO
C=CCC(C)(C)CNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000641826145	696226180	/nfs/dbraw/zinc/22/61/80/696226180.db2.gz	BTULXKXYVOSSKQ-KRWDZBQOSA-N	1	0	352.523	1.685	20	30		FDEDRO
CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cncc(C#N)n3)CC[C@@H]21	ZINC001164841334	720519381	/nfs/dbraw/zinc/51/93/81/720519381.db2.gz	YKKISIGOLDFSKK-SZMVWBNQSA-N	1	0	351.458	1.923	20	30		FDEDRO
N#Cc1cc([N+](=O)[O-])cnc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1	ZINC001164728899	720560752	/nfs/dbraw/zinc/56/07/52/720560752.db2.gz	PLYYLNIEGJDGSG-UHFFFAOYSA-N	1	0	367.413	1.716	20	30		FDEDRO
N#Cc1cc2nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)ccc2[nH]1	ZINC001164739917	720751222	/nfs/dbraw/zinc/75/12/22/720751222.db2.gz	JSVOSBOUMAPBHQ-LSDHHAIUSA-N	1	0	361.409	1.566	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(Cl)c(C#N)n3)CC[C@@H]2C1	ZINC001164848770	720837579	/nfs/dbraw/zinc/83/75/79/720837579.db2.gz	AYZFWEQNGQNBOW-CZUORRHYSA-N	1	0	350.850	1.780	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)cnc3C#N)CC[C@@H]2C1	ZINC001164848778	720842436	/nfs/dbraw/zinc/84/24/36/720842436.db2.gz	AZYXKNAAKCVSHB-OCCSQVGLSA-N	1	0	351.838	1.175	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncc(Cl)cc1C#N)CC2	ZINC001164752490	720960886	/nfs/dbraw/zinc/96/08/86/720960886.db2.gz	ZFANOFOOXRRORY-UHFFFAOYSA-N	1	0	374.832	1.449	20	30		FDEDRO
N#Cc1cc(F)cnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164870955	721059667	/nfs/dbraw/zinc/05/96/67/721059667.db2.gz	XNLJHFKOXHVJFH-ZWKOTPCHSA-N	1	0	353.401	1.967	20	30		FDEDRO
N#Cc1c(Cl)ncnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164866528	721063630	/nfs/dbraw/zinc/06/36/30/721063630.db2.gz	FASRNYBVPXYIMF-HUUCEWRRSA-N	1	0	370.844	1.876	20	30		FDEDRO
Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5[nH]cc(C#N)c54)C[C@H]3C2)cn1	ZINC001164764443	721072033	/nfs/dbraw/zinc/07/20/33/721072033.db2.gz	HQOGSVFGFZRUOT-GDBMZVCRSA-N	1	0	362.441	1.521	20	30		FDEDRO
Cc1cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(C#N)n1	ZINC001164865969	721098806	/nfs/dbraw/zinc/09/88/06/721098806.db2.gz	QNPTYFPXUGENKS-SJORKVTESA-N	1	0	350.426	1.531	20	30		FDEDRO
CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cnc(C#N)cn4)C3)O2)CC1	ZINC001164885608	721389355	/nfs/dbraw/zinc/38/93/55/721389355.db2.gz	CVLJXLNBMRJKQJ-HKUYNNGSSA-N	1	0	356.474	1.114	20	30		FDEDRO
CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nnc(Cl)cc2C#N)CC1	ZINC001165011510	721734119	/nfs/dbraw/zinc/73/41/19/721734119.db2.gz	PUELSJGMGHIPIV-UHFFFAOYSA-N	1	0	362.865	1.525	20	30		FDEDRO
CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(C#N)ccc2[N+](=O)[O-])CC1	ZINC001165011965	721737483	/nfs/dbraw/zinc/73/74/83/721737483.db2.gz	ZNVWVRFJBVRBSN-UHFFFAOYSA-N	1	0	372.429	1.384	20	30		FDEDRO
N#CC1(c2ccc(N3CC[NH+](C[C@@H]4CCCO4)CC3)nc2)CCOCC1	ZINC001165036959	721916124	/nfs/dbraw/zinc/91/61/24/721916124.db2.gz	DTIMTGOVHCWBNO-SFHVURJKSA-N	1	0	356.470	1.954	20	30		FDEDRO
CC(C)CC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)CCC1	ZINC001104405750	782345191	/nfs/dbraw/zinc/34/51/91/782345191.db2.gz	KQYUJHTVIDQBBC-IAGOWNOFSA-N	1	0	362.518	1.917	20	30		FDEDRO
[NH3+]C[C@@H]1CN(C(=O)NCCOC(F)(F)C(F)(F)F)C[C@H]1C(F)(F)F	ZINC000892706349	790323079	/nfs/dbraw/zinc/32/30/79/790323079.db2.gz	UWYOMDAUAGNURI-RNFRBKRXSA-N	1	0	373.244	1.937	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(CCC)CCC1)C2	ZINC001112511938	782663281	/nfs/dbraw/zinc/66/32/81/782663281.db2.gz	IOYYINBMOIXPBF-UWJYYQICSA-N	1	0	359.514	1.925	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cncc(CC)c1)C2	ZINC001112468436	769018356	/nfs/dbraw/zinc/01/83/56/769018356.db2.gz	JYFBBMZXMHJUNY-RXVVDRJESA-N	1	0	368.481	1.225	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(C)CC2)C[C@H]1C	ZINC001104222930	769024176	/nfs/dbraw/zinc/02/41/76/769024176.db2.gz	FRHFTMMFVPKRPC-RBSFLKMASA-N	1	0	364.490	1.261	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)C1CCC1	ZINC000969238921	769583939	/nfs/dbraw/zinc/58/39/39/769583939.db2.gz	WPLGTGSPLHJWEE-XDNAFOTISA-N	1	0	361.486	1.264	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](C)C	ZINC000969304563	769800532	/nfs/dbraw/zinc/80/05/32/769800532.db2.gz	NDQLNYCYGFXNGK-ILOCAZANSA-N	1	0	363.502	1.510	20	30		FDEDRO
C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1	ZINC000784929375	769819891	/nfs/dbraw/zinc/81/98/91/769819891.db2.gz	PWTRKSIRCJPQAU-UHFFFAOYSA-N	1	0	366.465	1.252	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4cncn4)c3)[C@H]2C1	ZINC001083188315	769981978	/nfs/dbraw/zinc/98/19/78/769981978.db2.gz	OYUNYCMGIWDOGH-RBUKOAKNSA-N	1	0	367.453	1.759	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C1	ZINC001022736109	782803304	/nfs/dbraw/zinc/80/33/04/782803304.db2.gz	NBAKNLCCRJMLPK-JFRXWTBNSA-N	1	0	355.438	1.917	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(CCC(N)=O)cc3)[C@H]2C1	ZINC001083189679	770150981	/nfs/dbraw/zinc/15/09/81/770150981.db2.gz	CTVNFGJBSRUCLW-RBUKOAKNSA-N	1	0	371.481	1.596	20	30		FDEDRO
CC[NH+](CC)CCN1c2ccccc2C(=NNc2nccn(C)c2=O)C1=O	ZINC000748079141	770359008	/nfs/dbraw/zinc/35/90/08/770359008.db2.gz	CXHZLHDBHNVSHO-UHFFFAOYSA-N	1	0	368.441	1.285	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1	ZINC001020590358	770901947	/nfs/dbraw/zinc/90/19/47/770901947.db2.gz	UBQLGSOAYAVSJZ-LUKYLMHMSA-N	1	0	370.453	1.028	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H](O)c2cccc(OC)c2)C1	ZINC001020605616	770988393	/nfs/dbraw/zinc/98/83/93/770988393.db2.gz	QQVYTYFMAISNBE-LIEJCIORSA-N	1	0	360.454	1.557	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N1CCO[C@@H]2CN(Cc3ccccc3C#N)C[C@@H]21	ZINC001083193119	771090758	/nfs/dbraw/zinc/09/07/58/771090758.db2.gz	BMCNORSAZKUBMS-FFZOFVMBSA-N	1	0	368.481	1.454	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N1CCO[C@@H]2CN(Cc3cccc(C#N)c3)C[C@@H]21	ZINC001083193429	771095787	/nfs/dbraw/zinc/09/57/87/771095787.db2.gz	RLTFDTBQUMSMSV-FFZOFVMBSA-N	1	0	368.481	1.454	20	30		FDEDRO
C[C@@H](NC(=O)[C@H]1CN(C)C[C@@H](C)O1)C1C[NH+](Cc2cccc(C#N)c2)C1	ZINC000969958169	771118664	/nfs/dbraw/zinc/11/86/64/771118664.db2.gz	JGZXAQDKQWXCDC-SPYBWZPUSA-N	1	0	356.470	1.214	20	30		FDEDRO
C[C@@](O)(CCNC(=[NH2+])N1CCN(c2ncccn2)CC1)c1ccccc1	ZINC000275051441	771127673	/nfs/dbraw/zinc/12/76/73/771127673.db2.gz	HRZDXLGLLRMAFR-LJQANCHMSA-N	1	0	354.458	1.211	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCN(C(C)C)C2=O)C1	ZINC001020714298	771286679	/nfs/dbraw/zinc/28/66/79/771286679.db2.gz	QVGDLMWLZUXCJH-ATIWLJMLSA-N	1	0	363.502	1.604	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2nc(C)n3ccccc23)C[C@H]1C	ZINC001104415225	782921580	/nfs/dbraw/zinc/92/15/80/782921580.db2.gz	GJIIDXCARZGJJD-SJLPKXTDSA-N	1	0	368.481	1.980	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2c(C)cncc2C)C[C@H]1C	ZINC001104415402	782922636	/nfs/dbraw/zinc/92/26/36/782922636.db2.gz	PGUQNGKXZRSXAK-IAGOWNOFSA-N	1	0	356.470	1.136	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCNC2=O)C1	ZINC001104237717	771474829	/nfs/dbraw/zinc/47/48/29/771474829.db2.gz	LSUUZMPYNUVHSD-UKRRQHHQSA-N	1	0	370.925	1.865	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1CC[NH2+]Cc1cc(F)ccc1C#N	ZINC001104240976	771633574	/nfs/dbraw/zinc/63/35/74/771633574.db2.gz	DDZMHXNHBRJPIF-GDBMZVCRSA-N	1	0	370.432	1.563	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cc(C)n(C(F)F)n2)C[C@H]1C	ZINC001104242762	771687104	/nfs/dbraw/zinc/68/71/04/771687104.db2.gz	STVNGSAFJQQYKB-UKRRQHHQSA-N	1	0	368.428	1.924	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(Cc3ccnc(OC)c3)C[C@@H]21	ZINC001083198921	771826793	/nfs/dbraw/zinc/82/67/93/771826793.db2.gz	YOEPOEABTUKRDF-VSZNYVQBSA-N	1	0	373.453	1.093	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2C=CC=CC=C2)C[C@H]1C	ZINC001104248602	771922859	/nfs/dbraw/zinc/92/28/59/771922859.db2.gz	KVLBYHFZWRBFTM-ZHALLVOQSA-N	1	0	355.482	1.497	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)c2nnnn2C)C1	ZINC001112512829	782994182	/nfs/dbraw/zinc/99/41/82/782994182.db2.gz	VADVTYMKFCFZMT-GJYPPUQNSA-N	1	0	358.490	1.683	20	30		FDEDRO
C=CCCn1cc(CNCCNS(=O)(=O)c2ccc(F)cc2F)nn1	ZINC000657459147	783003743	/nfs/dbraw/zinc/00/37/43/783003743.db2.gz	UXWNUEROAVFRKS-UHFFFAOYSA-N	1	0	371.413	1.201	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCC2)C1)OCC	ZINC001104255337	772427396	/nfs/dbraw/zinc/42/73/96/772427396.db2.gz	HMSJDLSDWVZBPN-KURKYZTESA-N	1	0	365.518	1.664	20	30		FDEDRO
C[C@@H]1CCN(C(=O)Cn2cnnn2)[C@H](C[NH2+]Cc2ccc(C#N)cc2F)C1	ZINC001087117689	772637092	/nfs/dbraw/zinc/63/70/92/772637092.db2.gz	CGWMQRWCAKHYNE-CJNGLKHVSA-N	1	0	371.420	1.101	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc(C#N)c2)CCN1c1cc[nH+]cc1	ZINC000890989893	772669535	/nfs/dbraw/zinc/66/95/35/772669535.db2.gz	KYMVVUWZKZECRK-CYBMUJFWSA-N	1	0	367.384	1.768	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnon3)C2)CCOCC1	ZINC001104279457	772754452	/nfs/dbraw/zinc/75/44/52/772754452.db2.gz	ACGBLIBANCIKPE-HZPDHXFCSA-N	1	0	360.458	1.464	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](CC)C(N)=O)C2)CCOCC1	ZINC001104279812	772756533	/nfs/dbraw/zinc/75/65/33/772756533.db2.gz	QLFREFZNPZQAHY-ZACQAIPSSA-N	1	0	363.502	1.145	20	30		FDEDRO
C[C@@H](Cc1c[nH]cn1)C(=O)N1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1	ZINC001021326929	772923433	/nfs/dbraw/zinc/92/34/33/772923433.db2.gz	FYFAMOMZWDFSPU-RVSPLBMKSA-N	1	0	366.425	1.161	20	30		FDEDRO
COC(=O)c1cn([C@@H]2CCC[N@H+](CCCC3(C#N)CCOCC3)C2)nn1	ZINC000375626036	772931573	/nfs/dbraw/zinc/93/15/73/772931573.db2.gz	QSFNONIACSPBLD-OAHLLOKOSA-N	1	0	361.446	1.802	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC(C)(C)COC)C2	ZINC001112487345	773113621	/nfs/dbraw/zinc/11/36/21/773113621.db2.gz	DOYPBBJMFUBISK-JXFKEZNVSA-N	1	0	363.502	1.017	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1Cc3cncn3C(=O)N1)C2	ZINC001112488287	773173175	/nfs/dbraw/zinc/17/31/75/773173175.db2.gz	SMMZUEBIWSFPAS-KNBMTAEXSA-N	1	0	371.485	1.550	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2CCS(C)(=O)=O	ZINC001021406874	773215364	/nfs/dbraw/zinc/21/53/64/773215364.db2.gz	ALZYWSBWNZWCGT-QHEDDYRISA-N	1	0	370.515	1.124	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3OCC#N)CC[C@H]21	ZINC000247250599	773267516	/nfs/dbraw/zinc/26/75/16/773267516.db2.gz	YHDNDAMSIPNKDI-CZUORRHYSA-N	1	0	374.416	1.609	20	30		FDEDRO
O=C(CC[NH+]1CCN(c2ccccn2)CC1)NCC#C[C@H]1CCCCO1	ZINC000891119728	773326935	/nfs/dbraw/zinc/32/69/35/773326935.db2.gz	SDGUEIPYPYZEKE-GOSISDBHSA-N	1	0	356.470	1.282	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2[nH]c(C)c(C(N)=O)c2CC)C[C@H]1C	ZINC001104288968	773477325	/nfs/dbraw/zinc/47/73/25/773477325.db2.gz	AIEUZSUFFTZJBP-UKRRQHHQSA-N	1	0	358.486	1.696	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](CCC)S(N)(=O)=O)C2	ZINC001112491177	773521215	/nfs/dbraw/zinc/52/12/15/773521215.db2.gz	INJVWLNRADGUOP-UXLLHSPISA-N	1	0	357.520	1.238	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](CCC)S(N)(=O)=O)C2	ZINC001112492597	773703815	/nfs/dbraw/zinc/70/38/15/773703815.db2.gz	DUGJHJBKXDPCRM-JZXOWHBKSA-N	1	0	371.547	1.628	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnc3ccccc3n2)C[C@H]1C	ZINC001104293842	773875210	/nfs/dbraw/zinc/87/52/10/773875210.db2.gz	IBXBLTHQILFCNQ-IAGOWNOFSA-N	1	0	366.465	1.967	20	30		FDEDRO
C[NH+](C)Cc1ccccc1C(=O)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1	ZINC001021592776	774132893	/nfs/dbraw/zinc/13/28/93/774132893.db2.gz	KVPBGIXWBLAONO-AZUAARDMSA-N	1	0	365.477	1.835	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000656191731	774186723	/nfs/dbraw/zinc/18/67/23/774186723.db2.gz	VPRGHTGHMAZKIT-SVFBPWRDSA-N	1	0	373.497	1.998	20	30		FDEDRO
Cc1ccnn1CC(=O)N1CCO[C@@H]2CN(CC#Cc3ccccc3)C[C@@H]21	ZINC001083209804	774332738	/nfs/dbraw/zinc/33/27/38/774332738.db2.gz	WQDFKJNUGNRXJH-VQTJNVASSA-N	1	0	364.449	1.155	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21	ZINC001021643499	774344796	/nfs/dbraw/zinc/34/47/96/774344796.db2.gz	SRHHNEITKBAPPD-BMGDILEWSA-N	1	0	369.469	1.432	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ncc(C)o2)C1	ZINC001104306263	774441804	/nfs/dbraw/zinc/44/18/04/774441804.db2.gz	UIUQXBRMAQPVPQ-NXHRZFHOSA-N	1	0	358.486	1.655	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1	ZINC000275908310	774475526	/nfs/dbraw/zinc/47/55/26/774475526.db2.gz	HRFKMXXWEFGTFZ-YJBOKZPZSA-N	1	0	355.438	1.580	20	30		FDEDRO
CC(C)(C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1)C1CCC1	ZINC001112498323	774556547	/nfs/dbraw/zinc/55/65/47/774556547.db2.gz	DDDBRTHCQZDBJN-JXFKEZNVSA-N	1	0	360.502	1.671	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cncc3ncn(C)c32)C[C@H]1C	ZINC001104311195	774566305	/nfs/dbraw/zinc/56/63/05/774566305.db2.gz	WVUIIMSCMOMDDA-HZPDHXFCSA-N	1	0	369.469	1.306	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(=O)N[C@H](C)CC)CC1	ZINC001167434986	774824839	/nfs/dbraw/zinc/82/48/39/774824839.db2.gz	BXDOTXLHZUQXQQ-RYRKJORJSA-N	1	0	365.518	1.758	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N[C@@H](CO)c1ccccc1I	ZINC000891323383	774856770	/nfs/dbraw/zinc/85/67/70/774856770.db2.gz	ZQTCDYPVLZVYMT-ZDUSSCGKSA-N	1	0	374.222	1.559	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C)c(C)n2)C[C@H]1C	ZINC001104422522	783223247	/nfs/dbraw/zinc/22/32/47/783223247.db2.gz	XIGCJVJMENBPOI-NVXWUHKLSA-N	1	0	358.486	1.688	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12	ZINC000656356133	775129852	/nfs/dbraw/zinc/12/98/52/775129852.db2.gz	QSKNRCQITCHSOL-ROUUACIJSA-N	1	0	359.470	1.970	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c(C)cc(C)[nH]c1=O)C2	ZINC001112501103	775290776	/nfs/dbraw/zinc/29/07/76/775290776.db2.gz	JERGFDCRGUHQAU-UWJYYQICSA-N	1	0	371.481	1.886	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnc3cc[nH]c3c2)C[C@H]1C	ZINC001104337449	775791052	/nfs/dbraw/zinc/79/10/52/775791052.db2.gz	VOHDHMZHHIGHDO-HZPDHXFCSA-N	1	0	354.454	1.901	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)Nc2ncccc2OCCCC#N)CC1	ZINC000276136280	775941447	/nfs/dbraw/zinc/94/14/47/775941447.db2.gz	ZYVLLMVGKAHINN-UHFFFAOYSA-N	1	0	361.446	1.996	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2ccccc2CC)C[C@H]1C	ZINC001104344300	775991127	/nfs/dbraw/zinc/99/11/27/775991127.db2.gz	SARRBODKNHZULV-YLJYHZDGSA-N	1	0	369.509	1.615	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CCOC)C[C@H]2c2ccccc2)C1=O	ZINC001211512989	776044159	/nfs/dbraw/zinc/04/41/59/776044159.db2.gz	HJTFFLDMHULSAW-IPMKNSEASA-N	1	0	371.481	1.394	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2COCCN2C)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087152892	776181877	/nfs/dbraw/zinc/18/18/77/776181877.db2.gz	UONBYCBSRHNBDV-LSTHTHJFSA-N	1	0	370.497	1.606	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCOCC2)C1	ZINC001104731750	790427812	/nfs/dbraw/zinc/42/78/12/790427812.db2.gz	VPUUTDCMRKPRSG-IAGOWNOFSA-N	1	0	365.518	1.522	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@H]1C	ZINC001104349545	776346249	/nfs/dbraw/zinc/34/62/49/776346249.db2.gz	OMTREPRPHSLPDS-HZPDHXFCSA-N	1	0	368.543	1.852	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C4(C5CC5)CC4)C[C@H]32)CC1	ZINC001021886665	776501701	/nfs/dbraw/zinc/50/17/01/776501701.db2.gz	LIHPGDNDTHDZIW-PKOBYXMFSA-N	1	0	369.509	1.581	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C4(C)CCC4)C[C@H]32)CC1	ZINC001021886672	776501779	/nfs/dbraw/zinc/50/17/79/776501779.db2.gz	MWCOPWAQVXOSGM-ZWKOTPCHSA-N	1	0	357.498	1.581	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1	ZINC001075420285	776805370	/nfs/dbraw/zinc/80/53/70/776805370.db2.gz	XWHLUTBUMCPAFT-BHIYHBOVSA-N	1	0	371.456	1.649	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1	ZINC001075422027	777234710	/nfs/dbraw/zinc/23/47/10/777234710.db2.gz	HBSGFCPTQMGPGV-DJIMGWMZSA-N	1	0	360.433	1.215	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnn3c1nc(C)cc3C)C2	ZINC001112505789	777369623	/nfs/dbraw/zinc/36/96/23/777369623.db2.gz	IEJSSADXEWVADG-JXFKEZNVSA-N	1	0	351.454	1.811	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@H](C)C(=O)NC)C2)cc1	ZINC001112505985	777468102	/nfs/dbraw/zinc/46/81/02/777468102.db2.gz	SZQOKSQXFPJZQX-YWMUFLPLSA-N	1	0	353.466	1.634	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCn2nc(C)nc2C)C1	ZINC000971559321	777616934	/nfs/dbraw/zinc/61/69/34/777616934.db2.gz	UWCHEJVSCWYWMW-KSZLIROESA-N	1	0	361.490	1.409	20	30		FDEDRO
CCCC[C@@](C)(F)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104365382	777775674	/nfs/dbraw/zinc/77/56/74/777775674.db2.gz	IIGYQDQOFYLLHK-IIDMSEBBSA-N	1	0	354.470	1.619	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@]2(C)CCOc3ccccc32)CC1	ZINC000933374181	777818172	/nfs/dbraw/zinc/81/81/72/777818172.db2.gz	KQFYNPIWUVBVPK-GHTZIAJQSA-N	1	0	370.497	1.966	20	30		FDEDRO
C[NH+]=C(NC[C@@H](O)c1cccc(F)c1)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000261942911	777888816	/nfs/dbraw/zinc/88/88/16/777888816.db2.gz	MXUBJOMTZOABRH-MRXNPFEDSA-N	1	0	364.465	1.766	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc(C(C)(C)C)[nH]2)C1	ZINC001022098881	777904124	/nfs/dbraw/zinc/90/41/24/777904124.db2.gz	DJHRUAAZQDIPHC-BARDWOONSA-N	1	0	361.490	1.820	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3nccn3C2)C[C@H]1C	ZINC001104367510	777951044	/nfs/dbraw/zinc/95/10/44/777951044.db2.gz	WOXDAKSYAUNSKQ-KURKYZTESA-N	1	0	360.502	1.722	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cn(C)nn2)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087161783	777993795	/nfs/dbraw/zinc/99/37/95/777993795.db2.gz	YTKJCZQVKDBDGW-PBHICJAKSA-N	1	0	352.442	1.717	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCN(c2c(C#N)cnc3c(F)cc(F)cc32)CC1	ZINC000471694636	778097179	/nfs/dbraw/zinc/09/71/79/778097179.db2.gz	VXMXOTOSGVWHIK-UHFFFAOYSA-N	1	0	373.407	1.985	20	30		FDEDRO
C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]CC(=O)NCc1cccc(C#N)c1	ZINC000933439523	778140025	/nfs/dbraw/zinc/14/00/25/778140025.db2.gz	RDSYZWNNCRPWFS-FQEVSTJZSA-N	1	0	355.413	1.897	20	30		FDEDRO
CC1(C)C[NH2+]CC[C@@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000891499964	778150938	/nfs/dbraw/zinc/15/09/38/778150938.db2.gz	UCBOVBNIVZWUSI-QGZVFWFLSA-N	1	0	370.501	1.999	20	30		FDEDRO
N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccccc2)C[C@H]1c1ccccc1	ZINC001211519616	778415086	/nfs/dbraw/zinc/41/50/86/778415086.db2.gz	WNPUIPZUKZTBIR-RBUKOAKNSA-N	1	0	362.433	1.524	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)CCOCC(F)(F)F)C[C@H]1C	ZINC001104374301	778559033	/nfs/dbraw/zinc/55/90/33/778559033.db2.gz	QORDZRCKXGYZLE-HUUCEWRRSA-N	1	0	364.408	1.679	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C(N)=O)cc1	ZINC001111489674	778731562	/nfs/dbraw/zinc/73/15/62/778731562.db2.gz	HPYREXNVEASWBU-PILAGYSTSA-N	1	0	357.454	1.598	20	30		FDEDRO
COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)cc1C#N	ZINC001022228973	778778671	/nfs/dbraw/zinc/77/86/71/778778671.db2.gz	SAQOVAOMAGTEEA-YYIAUSFCSA-N	1	0	365.437	1.830	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H]([N@H+](C)Cc3cccc(C#N)c3)C2)O1	ZINC000971781684	779069400	/nfs/dbraw/zinc/06/94/00/779069400.db2.gz	MARLYDWYCGPBCE-ATZDWAIDSA-N	1	0	356.470	1.310	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)O1	ZINC001022276936	779087613	/nfs/dbraw/zinc/08/76/13/779087613.db2.gz	TWYKNNXGNRZNKP-GMLZMKKNSA-N	1	0	360.433	1.153	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]21	ZINC001022312581	779285361	/nfs/dbraw/zinc/28/53/61/779285361.db2.gz	BIUAJSXSROQJPW-SLFFLAALSA-N	1	0	365.477	1.364	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)[C@@H](C4CC4)[NH+](C)C)C[C@H]32)cc1	ZINC001022335282	779433241	/nfs/dbraw/zinc/43/32/41/779433241.db2.gz	JXXWMWTUBLUVAX-XUVXKRRUSA-N	1	0	365.477	1.681	20	30		FDEDRO
CC(C)(C)CC[NH+]1CCN(c2cccc(S(N)(=O)=O)c2C#N)CC1	ZINC000754976476	780434488	/nfs/dbraw/zinc/43/44/88/780434488.db2.gz	KKGHDXNUXAWZBH-UHFFFAOYSA-N	1	0	350.488	1.764	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1	ZINC000510968333	780445598	/nfs/dbraw/zinc/44/55/98/780445598.db2.gz	NPXGUGCPERBZQM-CHWSQXEVSA-N	1	0	374.407	1.718	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3c(c2)N(C)C(=O)C3)C[C@H]1C	ZINC001104390334	780662611	/nfs/dbraw/zinc/66/26/11/780662611.db2.gz	VAXFZAYNCYDENX-CRAIPNDOSA-N	1	0	353.466	1.917	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCCC(C)=O)C[C@H]1c1ccccc1	ZINC001211530208	780726961	/nfs/dbraw/zinc/72/69/61/780726961.db2.gz	QIYMSTYGCWZEJA-RBUKOAKNSA-N	1	0	371.481	1.632	20	30		FDEDRO
CCc1nn(CC(=O)NC2CC[NH+](C(C)C)CC2)c(=O)c(C#N)c1CC	ZINC000510994635	781100385	/nfs/dbraw/zinc/10/03/85/781100385.db2.gz	YQBNODIMBQLYFT-UHFFFAOYSA-N	1	0	359.474	1.229	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)C[C@H]21	ZINC001022565410	781156769	/nfs/dbraw/zinc/15/67/69/781156769.db2.gz	WCHPMXJEMJPQSV-GRDNDAEWSA-N	1	0	364.409	1.100	20	30		FDEDRO
C=C(C)CN1C[C@H]2OCCN(C(=O)c3cccc4c3OCCCO4)[C@H]2C1	ZINC001083234345	781207046	/nfs/dbraw/zinc/20/70/46/781207046.db2.gz	YROUUOBPZSPKRZ-FUHWJXTLSA-N	1	0	358.438	1.949	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)SC)C[C@H]1c1ccccc1	ZINC001211535956	781366649	/nfs/dbraw/zinc/36/66/49/781366649.db2.gz	RDIOLPVCRUYABU-HYVNUMGLSA-N	1	0	359.495	1.072	20	30		FDEDRO
C=CCCn1cc(CNCCN2CC[NH+](Cc3ccccc3)CC2)nn1	ZINC000657292540	781499826	/nfs/dbraw/zinc/49/98/26/781499826.db2.gz	MHMCQKUFBZLJJI-UHFFFAOYSA-N	1	0	354.502	1.762	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C)c(F)c2)C[C@H]1C	ZINC001104398488	781664445	/nfs/dbraw/zinc/66/44/45/781664445.db2.gz	NFMNOTJRUWJTDY-NVXWUHKLSA-N	1	0	359.445	1.571	20	30		FDEDRO
CC(C)[C@H](C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC#N)C1	ZINC001211554788	783442597	/nfs/dbraw/zinc/44/25/97/783442597.db2.gz	GUYAAWFTZSIRCR-NZSAHSFTSA-N	1	0	370.497	1.893	20	30		FDEDRO
O=C(NCC[NH2+]Cc1cnn(-c2ccc(F)cc2)c1)C1N=CC=CC1=O	ZINC000255640727	783660583	/nfs/dbraw/zinc/66/05/83/783660583.db2.gz	SFQNJHYQHQZXTL-ISLYRVAYSA-N	1	0	355.373	1.627	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)CCCN(C)C(=O)C[NH+]1CCCC1	ZINC001067467045	783695475	/nfs/dbraw/zinc/69/54/75/783695475.db2.gz	NXUXVKGQPZUUBO-HKUYNNGSSA-N	1	0	365.518	1.760	20	30		FDEDRO
CC(=O)c1cn(CC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)nn1	ZINC000650902332	783714596	/nfs/dbraw/zinc/71/45/96/783714596.db2.gz	OZJVTAAONMNCEQ-UHFFFAOYSA-N	1	0	366.425	1.133	20	30		FDEDRO
C[C@@H]([NH3+])[C@H]1CN(C(=O)NC2CCN(c3ccccc3C#N)CC2)CCO1	ZINC000892428768	783803321	/nfs/dbraw/zinc/80/33/21/783803321.db2.gz	KPBUOSBIQHWMSY-RDTXWAMCSA-N	1	0	357.458	1.285	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3cccs3)C[C@H]21	ZINC000972835427	783904309	/nfs/dbraw/zinc/90/43/09/783904309.db2.gz	UGUNOUXHITUUOX-OWCLPIDISA-N	1	0	357.479	1.519	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1	ZINC001024155184	784012290	/nfs/dbraw/zinc/01/22/90/784012290.db2.gz	MACWIKCSNAWRKF-GVDBMIGSSA-N	1	0	365.518	1.540	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1	ZINC001024384015	784581018	/nfs/dbraw/zinc/58/10/18/784581018.db2.gz	KEQCWWHJRYPOEG-HZPDHXFCSA-N	1	0	363.502	1.153	20	30		FDEDRO
CCC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1)C(C)C	ZINC001104742861	791049157	/nfs/dbraw/zinc/04/91/57/791049157.db2.gz	PHNAUBHVBZJMRB-ZACQAIPSSA-N	1	0	350.507	1.773	20	30		FDEDRO
C=CCCOCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC[NH+](C)C	ZINC000658692329	784870495	/nfs/dbraw/zinc/87/04/95/784870495.db2.gz	IDOBHTNBAUTKLH-GOSISDBHSA-N	1	0	359.470	1.210	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)C[N@@H+]1C1CC1	ZINC000364518537	785080415	/nfs/dbraw/zinc/08/04/15/785080415.db2.gz	PZYKUQPFUYYSJL-DKSSEZFCSA-N	1	0	366.465	1.791	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)Cn2cncc2C)C[C@H]1c1ccccc1	ZINC001211633039	785104734	/nfs/dbraw/zinc/10/47/34/785104734.db2.gz	PISVMIPNYJNQAJ-VQTJNVASSA-N	1	0	368.481	1.978	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CC[NH2+]CC(C)(C)C3)CC2)c1C#N	ZINC000892484609	785161895	/nfs/dbraw/zinc/16/18/95/785161895.db2.gz	MBAGKDBLYZSFIS-OAHLLOKOSA-N	1	0	373.505	1.210	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)COc3ccc(C)cc3OC)[C@H]2C1	ZINC001083268300	785264253	/nfs/dbraw/zinc/26/42/53/785264253.db2.gz	UMIOBIZKNCASSC-QFBILLFUSA-N	1	0	358.438	1.317	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)n1	ZINC000892493949	785276151	/nfs/dbraw/zinc/27/61/51/785276151.db2.gz	VWMYUFXKFYYREK-MRXNPFEDSA-N	1	0	361.490	1.453	20	30		FDEDRO
CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1	ZINC000375970130	785409390	/nfs/dbraw/zinc/40/93/90/785409390.db2.gz	UMBGBQWTUBCPRA-AEFFLSMTSA-N	1	0	367.453	1.896	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[N@@H+](C2CCOCC2)CC1	ZINC000365480518	785506231	/nfs/dbraw/zinc/50/62/31/785506231.db2.gz	JBHCYEXXAIXYAK-UHFFFAOYSA-N	1	0	370.453	1.519	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCc1ccnn1C	ZINC001024702351	785770499	/nfs/dbraw/zinc/77/04/99/785770499.db2.gz	RORNDNZWKTUVCM-FHWLQOOXSA-N	1	0	360.502	1.915	20	30		FDEDRO
N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC23CCC3)C[C@H]1c1ccccc1	ZINC001211682084	805656694	/nfs/dbraw/zinc/65/66/94/805656694.db2.gz	JHDBDQPBNUVHNP-OKZBNKHCSA-N	1	0	366.465	1.401	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@H]21	ZINC000978721614	805697291	/nfs/dbraw/zinc/69/72/91/805697291.db2.gz	UQJCQQABLONXAE-UEDWAMCQSA-N	1	0	356.466	1.564	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCCc2nnnn2-c2ccccc2)CC1	ZINC000511427028	786725807	/nfs/dbraw/zinc/72/58/07/786725807.db2.gz	IDTYVTBUOJDSPK-UHFFFAOYSA-N	1	0	369.473	1.545	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@H]21	ZINC000978735041	805725195	/nfs/dbraw/zinc/72/51/95/805725195.db2.gz	VAYZJVWGCXPUHL-MTSZKFMLSA-N	1	0	364.877	1.422	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2cn(CC)nn2)C[C@H]1c1ccccc1	ZINC001211640183	787374790	/nfs/dbraw/zinc/37/47/90/787374790.db2.gz	PSKJFYZKSLMEKA-RBUKOAKNSA-N	1	0	351.454	1.448	20	30		FDEDRO
COC(=O)c1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c[nH]1	ZINC000431826508	787595327	/nfs/dbraw/zinc/59/53/27/787595327.db2.gz	XTUODYHGZKIFQA-UHFFFAOYSA-N	1	0	354.410	1.877	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21	ZINC000249154179	787639474	/nfs/dbraw/zinc/63/94/74/787639474.db2.gz	HXVWUZMKHUMCKS-YOEHRIQHSA-N	1	0	373.428	1.719	20	30		FDEDRO
N#CCNC(=O)CNC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21	ZINC000376416071	787683100	/nfs/dbraw/zinc/68/31/00/787683100.db2.gz	XKNTVHNLULEWDI-RCCFBDPRSA-N	1	0	369.469	1.226	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C(=O)N2CCC(C)CC2)C[C@H]1c1ccccc1	ZINC001211684404	805826879	/nfs/dbraw/zinc/82/68/79/805826879.db2.gz	WBJOOXORLXWZPG-VQTJNVASSA-N	1	0	367.493	1.852	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NCC)C1	ZINC001104561832	787887035	/nfs/dbraw/zinc/88/70/35/787887035.db2.gz	AUAIXGCACUABEB-BZUAXINKSA-N	1	0	366.506	1.509	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NCC)C1	ZINC001104561933	787889072	/nfs/dbraw/zinc/88/90/72/787889072.db2.gz	BVXOMUDYHGJOAB-BZUAXINKSA-N	1	0	366.506	1.509	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2C(=O)CCC2=O)C1	ZINC001104563085	787910952	/nfs/dbraw/zinc/91/09/52/787910952.db2.gz	JDQQKNZXUZBIOT-BRWVUGGUSA-N	1	0	363.502	1.812	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CS(=O)(=O)NC(C)(C)C)C1	ZINC001111990134	788291159	/nfs/dbraw/zinc/29/11/59/788291159.db2.gz	MHEYLWUKJJXPHY-YJBOKZPZSA-N	1	0	371.547	1.641	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@H]1C	ZINC001104590290	788769180	/nfs/dbraw/zinc/76/91/80/788769180.db2.gz	KWHWGWBKTXBARM-HZPDHXFCSA-N	1	0	350.463	1.076	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cc[nH]c2C2CC2)C[C@H]1C	ZINC001104593575	788781843	/nfs/dbraw/zinc/78/18/43/788781843.db2.gz	FPIMLAQHICHDHC-BFYDXBDKSA-N	1	0	370.497	1.718	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cccnc2C)C[C@H]1C	ZINC001104601177	788837356	/nfs/dbraw/zinc/83/73/56/788837356.db2.gz	BMIMGWSKJKGYNU-HYVNUMGLSA-N	1	0	358.486	1.769	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](O)CN2CCCC2=O)C1	ZINC001104607544	788851173	/nfs/dbraw/zinc/85/11/73/788851173.db2.gz	ZCWUMNLNLKCIII-KURKYZTESA-N	1	0	365.518	1.400	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@H](C)C(F)(F)F)C[C@H]1C	ZINC001104621500	788932324	/nfs/dbraw/zinc/93/23/24/788932324.db2.gz	UCOQWFXAKAXRFU-HZSPNIEDSA-N	1	0	363.424	1.951	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc3nonc3c2)C[C@H]1C	ZINC001104616624	788939807	/nfs/dbraw/zinc/93/98/07/788939807.db2.gz	DUJAWUIMQYXVOI-UKRRQHHQSA-N	1	0	371.441	1.213	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NCC)C1	ZINC001104631651	789059698	/nfs/dbraw/zinc/05/96/98/789059698.db2.gz	WAKNPTRZWUOKBW-SPYBWZPUSA-N	1	0	366.506	1.509	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1	ZINC000973468203	789096199	/nfs/dbraw/zinc/09/61/99/789096199.db2.gz	JFWNTFQZTATDGN-WBOJAVRRSA-N	1	0	358.442	1.116	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccn(C)c2C)C[C@H]1C	ZINC001104650101	789166173	/nfs/dbraw/zinc/16/61/73/789166173.db2.gz	AHEMYVPBZPRICQ-BFYDXBDKSA-N	1	0	358.486	1.159	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCn3cncn3)C2)c1	ZINC001104659059	789180739	/nfs/dbraw/zinc/18/07/39/789180739.db2.gz	BGWJYJCDLICUSM-NVXWUHKLSA-N	1	0	352.442	1.042	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]C[C@H](O)Cn3cccn3)C2)C1	ZINC001104657337	789196354	/nfs/dbraw/zinc/19/63/54/789196354.db2.gz	YPUBFOOSQZMFJY-KURKYZTESA-N	1	0	360.502	1.675	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(CCC(N)=O)cc2)C[C@H]1C	ZINC001104662530	789235675	/nfs/dbraw/zinc/23/56/75/789235675.db2.gz	XTFANEDKANJPJP-VQIMIIECSA-N	1	0	355.482	1.816	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1CC[NH2+]CC#Cc1ccccc1	ZINC001104670027	789278130	/nfs/dbraw/zinc/27/81/30/789278130.db2.gz	OFVZZUAIVHMLKZ-JUXOCIIHSA-N	1	0	367.493	1.639	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N(C)CC1CC1)C2	ZINC001112017988	789338091	/nfs/dbraw/zinc/33/80/91/789338091.db2.gz	WIBHMJAWXVJNOR-KNBMTAEXSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2C2CC2)C1	ZINC001104704281	789553616	/nfs/dbraw/zinc/55/36/16/789553616.db2.gz	QBWIYJOKEKHQIX-SRABZTEZSA-N	1	0	374.489	1.173	20	30		FDEDRO
C=CCCC1(CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)CCCC1	ZINC000659711176	789557777	/nfs/dbraw/zinc/55/77/77/789557777.db2.gz	VUPDZEAUMJURNY-UHFFFAOYSA-N	1	0	350.507	1.041	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1	ZINC000659721026	789569512	/nfs/dbraw/zinc/56/95/12/789569512.db2.gz	XJSLTXWHOQPVFT-GOSISDBHSA-N	1	0	355.438	1.665	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3nnnn3CC2)C[C@H]1C	ZINC001104709072	789581288	/nfs/dbraw/zinc/58/12/88/789581288.db2.gz	UTFSOXYSLRZSHA-BRWVUGGUSA-N	1	0	360.506	1.666	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@]1(C)C[NH+]2CCC1CC2	ZINC000892789790	791250544	/nfs/dbraw/zinc/25/05/44/791250544.db2.gz	UERYOTMPBHETSR-HXUWFJFHSA-N	1	0	366.469	1.751	20	30		FDEDRO
C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000377230099	791309372	/nfs/dbraw/zinc/30/93/72/791309372.db2.gz	YPDPBXGDZLIMTJ-HSALFYBXSA-N	1	0	355.482	1.862	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c1	ZINC000415129036	791468869	/nfs/dbraw/zinc/46/88/69/791468869.db2.gz	UBJVTKULJCUEDY-ZDUSSCGKSA-N	1	0	365.384	1.671	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNC(=O)NCC#C[C@H]2CCCCO2)CC1	ZINC000892883715	791565412	/nfs/dbraw/zinc/56/54/12/791565412.db2.gz	DFBRSWHTLMKTCW-QGZVFWFLSA-N	1	0	351.491	1.748	20	30		FDEDRO
CN(CCOCc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(C[NH3+])cc1	ZINC000415231065	791686279	/nfs/dbraw/zinc/68/62/79/791686279.db2.gz	QRWRCPKHHILENK-UHFFFAOYSA-N	1	0	366.421	1.631	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CC23CCN(c2ccc(C#N)cn2)CC3)CC[N@@H+]1C	ZINC001058655671	791694517	/nfs/dbraw/zinc/69/45/17/791694517.db2.gz	GNUXISATWTVGPG-OIISXLGYSA-N	1	0	353.470	1.769	20	30		FDEDRO
CC[NH2+]Cc1cccc(NC(=O)C(=O)NCc2ccc(C#N)c(OC)c2)c1	ZINC000415244755	791746314	/nfs/dbraw/zinc/74/63/14/791746314.db2.gz	YPGUDYOOUATNAG-UHFFFAOYSA-N	1	0	366.421	1.931	20	30		FDEDRO
Cn1cc(C(=O)N2CC[C@H]3CN(Cc4cc(F)ccc4C#N)C[C@H]32)cn1	ZINC001075533897	791991935	/nfs/dbraw/zinc/99/19/35/791991935.db2.gz	MYQSXRFLFUBHLA-KBXCAEBGSA-N	1	0	353.401	1.777	20	30		FDEDRO
C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N	ZINC000415345751	792015418	/nfs/dbraw/zinc/01/54/18/792015418.db2.gz	QBVNOBWIXSUMPS-CYBMUJFWSA-N	1	0	365.393	1.504	20	30		FDEDRO
O=C(NCC[C@H]1CC[NH2+]C1)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000415411732	792203336	/nfs/dbraw/zinc/20/33/36/792203336.db2.gz	XBILFLOHTLZCHG-QGZVFWFLSA-N	1	0	362.433	1.536	20	30		FDEDRO
C=CCN(C(=O)C(=O)Nc1cc(C)on1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000377571809	792230616	/nfs/dbraw/zinc/23/06/16/792230616.db2.gz	FGSVFGAKMFHUFM-KRWDZBQOSA-N	1	0	368.437	2.211	20	30		FDEDRO
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC[NH+]2CCC(O)CC2)c1	ZINC000892977405	792295412	/nfs/dbraw/zinc/29/54/12/792295412.db2.gz	QUHOMPSEZBBSFE-KRWDZBQOSA-N	1	0	360.458	1.623	20	30		FDEDRO
CN1CC[NH+](C[C@@H]2CCCN(Cc3cnc4ccc(C#N)cn34)C2)CC1	ZINC000377617639	792333722	/nfs/dbraw/zinc/33/37/22/792333722.db2.gz	AVGXEPJVFHTXSA-SFHVURJKSA-N	1	0	352.486	1.665	20	30		FDEDRO
CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000415494931	792367866	/nfs/dbraw/zinc/36/78/66/792367866.db2.gz	FMMMTAAGFRJILO-GFCCVEGCSA-N	1	0	368.384	1.930	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(CC[NH2+]C)CC1	ZINC000415551561	792506427	/nfs/dbraw/zinc/50/64/27/792506427.db2.gz	OSOBZZQWJYQQHB-UHFFFAOYSA-N	1	0	358.442	1.744	20	30		FDEDRO
Cn1cc(S(=O)(=O)N2CCC([NH2+]CC#Cc3ccccc3)CC2)cn1	ZINC000893032426	792582948	/nfs/dbraw/zinc/58/29/48/792582948.db2.gz	NPOGWLHARPYKPD-UHFFFAOYSA-N	1	0	358.467	1.215	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1	ZINC000415587088	792609542	/nfs/dbraw/zinc/60/95/42/792609542.db2.gz	YSJFVSYMKGILQE-NXEZZACHSA-N	1	0	370.331	1.591	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC#C[C@H]2CCCCO2)[C@@H](C)C1	ZINC000893050961	792646665	/nfs/dbraw/zinc/64/66/65/792646665.db2.gz	PLDQMWBQRASLRI-OTWHNJEPSA-N	1	0	365.518	1.995	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1	ZINC000415642000	792752129	/nfs/dbraw/zinc/75/21/29/792752129.db2.gz	MPLMGTNOMDVHMB-UHFFFAOYSA-N	1	0	370.453	1.888	20	30		FDEDRO
O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1	ZINC000415671811	792782891	/nfs/dbraw/zinc/78/28/91/792782891.db2.gz	JZKGXDGTFPLPOQ-CALCHBBNSA-N	1	0	360.417	1.098	20	30		FDEDRO
CC(C)(C)c1cc(NC(=O)N(CC[NH3+])CCO)n(-c2ccc(C#N)cc2)n1	ZINC000415691774	792821920	/nfs/dbraw/zinc/82/19/20/792821920.db2.gz	GGQOFNHJNKKBOO-UHFFFAOYSA-N	1	0	370.457	1.826	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)NC(=O)NCC)C[C@H]1C	ZINC001104751298	792899392	/nfs/dbraw/zinc/89/93/92/792899392.db2.gz	HWZURAVHTCGQNV-HZPDHXFCSA-N	1	0	368.522	1.361	20	30		FDEDRO
Cn1cnc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1=O	ZINC000893115891	793057961	/nfs/dbraw/zinc/05/79/61/793057961.db2.gz	SRNVPMBNJJRAGB-UHFFFAOYSA-N	1	0	366.421	1.743	20	30		FDEDRO
CC(C)c1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)on1	ZINC001104752830	793123903	/nfs/dbraw/zinc/12/39/03/793123903.db2.gz	OHHPJIGFKQLHBV-ZIAGYGMSSA-N	1	0	361.446	1.126	20	30		FDEDRO
CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)CC1	ZINC000415860879	793204700	/nfs/dbraw/zinc/20/47/00/793204700.db2.gz	NWGHILCEKMQMJE-KRWDZBQOSA-N	1	0	354.454	1.928	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)ccc1F	ZINC000415856753	793213199	/nfs/dbraw/zinc/21/31/99/793213199.db2.gz	GBEYDJPNXXLQDI-UHFFFAOYSA-N	1	0	370.428	1.906	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCOC)C1	ZINC001104757647	793481734	/nfs/dbraw/zinc/48/17/34/793481734.db2.gz	GSJRHGXMQFSVJZ-KBAYOESNSA-N	1	0	353.507	1.568	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnns3)C2)nn1	ZINC001104769203	793555174	/nfs/dbraw/zinc/55/51/74/793555174.db2.gz	JSTXZJGJRAGKNL-CHWSQXEVSA-N	1	0	361.475	1.204	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]C[C@H]3CCCOC3)C2)nn1	ZINC001104769210	793555277	/nfs/dbraw/zinc/55/52/77/793555277.db2.gz	JVUAHFVPWHXJPH-BRWVUGGUSA-N	1	0	361.490	1.579	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3conc3C)C2)nn1	ZINC001104769334	793556322	/nfs/dbraw/zinc/55/63/22/793556322.db2.gz	PWRXQWZFJMJUMG-UKRRQHHQSA-N	1	0	358.446	1.649	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnn(C)c3)C2)nn1	ZINC001104769396	793556506	/nfs/dbraw/zinc/55/65/06/793556506.db2.gz	SHIIDNCMNQQMNK-GDBMZVCRSA-N	1	0	357.462	1.086	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ncccn3)C2)nn1	ZINC001104777423	793598951	/nfs/dbraw/zinc/59/89/51/793598951.db2.gz	KELQAWRTBPZXFA-HZPDHXFCSA-N	1	0	369.473	1.532	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CCNC(=O)C2CCC2)C[C@H]1C	ZINC001104784746	793642349	/nfs/dbraw/zinc/64/23/49/793642349.db2.gz	YIVYVVNXNDQOMJ-SJLPKXTDSA-N	1	0	365.518	1.570	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1	ZINC000452377407	793915861	/nfs/dbraw/zinc/91/58/61/793915861.db2.gz	RCGGCNCPIIQWRP-MJGOQNOKSA-N	1	0	359.470	1.925	20	30		FDEDRO
C[C@H]1CN(C(=O)c2ccccc2OCC#N)CCN1C1CC[NH+](C)CC1	ZINC000378367896	794030599	/nfs/dbraw/zinc/03/05/99/794030599.db2.gz	FSCDCXJEAVPLHG-INIZCTEOSA-N	1	0	356.470	1.829	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1	ZINC000378400899	794088967	/nfs/dbraw/zinc/08/89/67/794088967.db2.gz	JPQSZKRMIKNLLF-KRWDZBQOSA-N	1	0	360.502	1.863	20	30		FDEDRO
N#C[C@@]1(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CCc2ccccc2C1	ZINC000378454194	794170190	/nfs/dbraw/zinc/17/01/90/794170190.db2.gz	XXSNEYISBUXBAF-LAUBAEHRSA-N	1	0	353.466	1.866	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC2(C[C@@H]2C(=O)N(C)C2CC2)CC1	ZINC000378465529	794181977	/nfs/dbraw/zinc/18/19/77/794181977.db2.gz	WUHQACXVTOQUJJ-NVXWUHKLSA-N	1	0	360.502	1.717	20	30		FDEDRO
N#CC1(NC(=O)Cn2ccccc2=O)CC[NH+](Cc2ccccc2)CC1	ZINC000378490591	794212618	/nfs/dbraw/zinc/21/26/18/794212618.db2.gz	FLUDSYCMXOCOGK-UHFFFAOYSA-N	1	0	350.422	1.523	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@H]1C	ZINC001104890355	794232614	/nfs/dbraw/zinc/23/26/14/794232614.db2.gz	USFRSBDZHSHFPW-IIDMSEBBSA-N	1	0	359.514	1.635	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccn(C)c1CC)C2	ZINC001112529948	806318803	/nfs/dbraw/zinc/31/88/03/806318803.db2.gz	WXAPRDRFKPJTQS-KKSFZXQISA-N	1	0	370.497	1.169	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC(=O)NCCOCC)C1	ZINC001112063419	794383916	/nfs/dbraw/zinc/38/39/16/794383916.db2.gz	DNTXIVDIWQYPQM-CHWSQXEVSA-N	1	0	365.396	1.084	20	30		FDEDRO
C=CCOCCNC(=O)c1nnn(-c2cccc3c2CC[N@@H+](C)C3)c1C	ZINC000378600115	794396630	/nfs/dbraw/zinc/39/66/30/794396630.db2.gz	PFICRVHEYRTPSH-UHFFFAOYSA-N	1	0	355.442	1.496	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nnc(C)[nH]3)C2)nc1	ZINC001104924147	794421044	/nfs/dbraw/zinc/42/10/44/794421044.db2.gz	ILSDCYFOTPZLHC-CZUORRHYSA-N	1	0	352.442	1.377	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NCC=C)C2)nc1	ZINC001104925036	794423831	/nfs/dbraw/zinc/42/38/31/794423831.db2.gz	YHSAUMYHQILUEY-JFIYKMOQSA-N	1	0	368.481	1.441	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC3CC3)C2)cn1	ZINC001104927566	794434593	/nfs/dbraw/zinc/43/45/93/794434593.db2.gz	JWLWTCPKKSINDR-BFYDXBDKSA-N	1	0	368.481	1.418	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ccn(C)n3)C2)cn1	ZINC001104927588	794435679	/nfs/dbraw/zinc/43/56/79/794435679.db2.gz	KTIJHWABPIFXDQ-NVXWUHKLSA-N	1	0	351.454	1.684	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccccc2OC)C[C@H]1C	ZINC001104941482	794498683	/nfs/dbraw/zinc/49/86/83/794498683.db2.gz	QXQFUMVWRQRPCE-HZPDHXFCSA-N	1	0	357.454	1.132	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(OC)cc2)C[C@H]1C	ZINC001104944368	794504668	/nfs/dbraw/zinc/50/46/68/794504668.db2.gz	AVGYPANGHGVVOG-NVXWUHKLSA-N	1	0	357.454	1.132	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc(N(C)C)c2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104948870	794527782	/nfs/dbraw/zinc/52/77/82/794527782.db2.gz	SCGLNEZGWOVXRL-NVXWUHKLSA-N	1	0	371.485	1.080	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nncn2C)C1	ZINC001104954862	794553568	/nfs/dbraw/zinc/55/35/68/794553568.db2.gz	WYXOOITYKKSYNU-VQIMIIECSA-N	1	0	365.481	1.613	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2Cc3cccnc3C2)C[C@H]1C	ZINC001104957648	794567932	/nfs/dbraw/zinc/56/79/32/794567932.db2.gz	JUKUKPHEFLMWNO-NXHRZFHOSA-N	1	0	370.497	1.173	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c2ccccc2)C[C@H]1C	ZINC001104978595	794719229	/nfs/dbraw/zinc/71/92/29/794719229.db2.gz	BXQZMQVBIVDTOJ-ZIFCJYIRSA-N	1	0	355.482	1.902	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CCC(=O)N2CCOCC2)C[C@H]1C	ZINC001104980265	794727977	/nfs/dbraw/zinc/72/79/77/794727977.db2.gz	FWYAGCDUUVKTEN-QZTJIDSGSA-N	1	0	365.518	1.666	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@H]1C	ZINC001105007751	794890671	/nfs/dbraw/zinc/89/06/71/794890671.db2.gz	VSZFFGWFGRKUBH-RBSFLKMASA-N	1	0	362.474	1.528	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cccn2CC)C[C@H]1C	ZINC001105017322	794936586	/nfs/dbraw/zinc/93/65/86/794936586.db2.gz	ANFHLPSWQGCQMJ-IXDOHACOSA-N	1	0	358.486	1.334	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CS(=O)(=O)CCC)C[C@H]1C	ZINC001105026238	794958405	/nfs/dbraw/zinc/95/84/05/794958405.db2.gz	PJCADONINXIIAY-TZMCWYRMSA-N	1	0	350.912	1.638	20	30		FDEDRO
CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C	ZINC001105025017	794964293	/nfs/dbraw/zinc/96/42/93/794964293.db2.gz	LZIGHAPPNBXWBR-HZPDHXFCSA-N	1	0	361.552	1.580	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2c(C)nn3cccnc23)C[C@H]1C	ZINC001105025486	794966162	/nfs/dbraw/zinc/96/61/62/794966162.db2.gz	YGABUOSQBTTYKV-NVXWUHKLSA-N	1	0	371.485	1.928	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@]2(C)CC=C(C)CC2)C[C@H]1C	ZINC001105044793	795051288	/nfs/dbraw/zinc/05/12/88/795051288.db2.gz	BXRAAOIXDBUORZ-DBXWQHBBSA-N	1	0	359.514	1.947	20	30		FDEDRO
CCOCCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C1	ZINC001105053783	795073140	/nfs/dbraw/zinc/07/31/40/795073140.db2.gz	AJDFHXKDPDZRPY-FGTMMUONSA-N	1	0	354.491	1.152	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](O)CC(F)(F)F)C1	ZINC001105090028	795232908	/nfs/dbraw/zinc/23/29/08/795232908.db2.gz	FTKQQLJIICTOJM-RBSFLKMASA-N	1	0	366.424	1.967	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCCC)C1	ZINC001105090403	795234893	/nfs/dbraw/zinc/23/48/93/795234893.db2.gz	ULCHLLRZZFWWRA-BRWVUGGUSA-N	1	0	353.507	1.568	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](CC)C(N)=O)C1	ZINC001112079828	795242552	/nfs/dbraw/zinc/24/25/52/795242552.db2.gz	WHOSBEUFRGTSOP-JHJVBQTASA-N	1	0	365.396	1.212	20	30		FDEDRO
C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000417572889	795299161	/nfs/dbraw/zinc/29/91/61/795299161.db2.gz	GXXYFMWMCBYNJJ-UKPHBRMFSA-N	1	0	359.449	1.963	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1	ZINC000417588909	795309226	/nfs/dbraw/zinc/30/92/26/795309226.db2.gz	DJZUVSIUIMJLQI-INIZCTEOSA-N	1	0	360.458	1.248	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)n1	ZINC001058813310	806405486	/nfs/dbraw/zinc/40/54/86/806405486.db2.gz	ASLUFFDUJFHCGS-QKPAOTATSA-N	1	0	363.425	1.363	20	30		FDEDRO
Cc1cccc(F)c1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001105111979	795324239	/nfs/dbraw/zinc/32/42/39/795324239.db2.gz	ZREQUMQEAMHUBZ-HUUCEWRRSA-N	1	0	360.433	1.462	20	30		FDEDRO
CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000417991298	795446819	/nfs/dbraw/zinc/44/68/19/795446819.db2.gz	KIHIEXYTMBGEEW-QZTJIDSGSA-N	1	0	369.469	1.837	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NC2CCC([NH2+]Cc3cccc(C#N)c3)CC2)O1	ZINC001026514615	795487926	/nfs/dbraw/zinc/48/79/26/795487926.db2.gz	LPHRTIUFTSJAEC-BTWUCOSQSA-N	1	0	370.497	1.794	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)C[C@H]1c1ccccc1	ZINC001211655076	795502254	/nfs/dbraw/zinc/50/22/54/795502254.db2.gz	ASZMOQFWQDDGGF-WAOWUJCRSA-N	1	0	353.466	1.510	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1	ZINC001026616255	795651305	/nfs/dbraw/zinc/65/13/05/795651305.db2.gz	HWQFAJFOAUCFSS-ATZDWAIDSA-N	1	0	357.498	1.770	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)c2ccc(F)c(C#N)c2)CC1	ZINC000278831609	795682003	/nfs/dbraw/zinc/68/20/03/795682003.db2.gz	JUJZJOBURSAUOG-UHFFFAOYSA-N	1	0	353.401	1.774	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1	ZINC000979761290	806437090	/nfs/dbraw/zinc/43/70/90/806437090.db2.gz	ZDWWNLNRQVTKIM-ZKXLYKBJSA-N	1	0	363.502	1.461	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@H](C[NH3+])C3CCCCC3)CC2)nc1	ZINC000418358945	795817621	/nfs/dbraw/zinc/81/76/21/795817621.db2.gz	IXORXHBJCZXYNQ-QGZVFWFLSA-N	1	0	356.474	1.692	20	30		FDEDRO
N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NC[C@H]2CCC[NH2+]2)CC1	ZINC000418355858	795820805	/nfs/dbraw/zinc/82/08/05/795820805.db2.gz	BPOMWDWBMLDIOG-CYBMUJFWSA-N	1	0	370.413	1.390	20	30		FDEDRO
C[NH2+]C[C@@H](C)CNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000418381725	795846310	/nfs/dbraw/zinc/84/63/10/795846310.db2.gz	IFHZDUGLYUNAID-CQSZACIVSA-N	1	0	369.473	1.413	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1	ZINC000979791873	806457193	/nfs/dbraw/zinc/45/71/93/806457193.db2.gz	PHFKCLPQPQXISR-DZVNLGKHSA-N	1	0	363.502	1.320	20	30		FDEDRO
CC(C)([NH3+])CNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000418410421	795880182	/nfs/dbraw/zinc/88/01/82/795880182.db2.gz	CCPIDZUMBLMUJX-UHFFFAOYSA-N	1	0	358.402	1.375	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4CCCC[N@H+]4C)[C@@H]3C2)c1	ZINC000974442391	795945342	/nfs/dbraw/zinc/94/53/42/795945342.db2.gz	AHDPBFJUMLKIQJ-NZSAHSFTSA-N	1	0	366.465	1.220	20	30		FDEDRO
Cc1ccc(-n2nc(CCCNC(=O)N[C@H](C)CC[NH3+])c(C#N)c2N)cc1	ZINC000418538719	796110696	/nfs/dbraw/zinc/11/06/96/796110696.db2.gz	FDUXDWYTXJHIDK-CQSZACIVSA-N	1	0	369.473	1.604	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000979869409	806570831	/nfs/dbraw/zinc/57/08/31/806570831.db2.gz	CFCOIQBAAJTAOE-QBPKDAKJSA-N	1	0	358.486	1.639	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1	ZINC000980069332	806727957	/nfs/dbraw/zinc/72/79/57/806727957.db2.gz	YLCNZKHXXCXNPB-VQHPVUNQSA-N	1	0	361.486	1.074	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ncnn2CCC)C1	ZINC001026850325	799992056	/nfs/dbraw/zinc/99/20/56/799992056.db2.gz	SELFHMCTVHVECC-ZACQAIPSSA-N	1	0	361.490	1.607	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(OC)nn2)C1	ZINC001026850097	800018236	/nfs/dbraw/zinc/01/82/36/800018236.db2.gz	NHIADTBDZQWONY-OIISXLGYSA-N	1	0	360.458	1.405	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)CNC(=O)CC3CCCC3)CC2)cc1	ZINC000511783131	800118389	/nfs/dbraw/zinc/11/83/89/800118389.db2.gz	GEXFFHSGRPNMTI-UHFFFAOYSA-N	1	0	368.481	1.899	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C(C)(C)C1	ZINC000974883391	800484468	/nfs/dbraw/zinc/48/44/68/800484468.db2.gz	WTILIVXCUKTXIJ-SQNIBIBYSA-N	1	0	365.518	1.269	20	30		FDEDRO
CC(C)OCC[NH+]1CCC(NC(=O)NCC#C[C@H]2CCCCO2)CC1	ZINC000893399239	800518365	/nfs/dbraw/zinc/51/83/65/800518365.db2.gz	UFIQLIQOUGPTIX-GOSISDBHSA-N	1	0	351.491	1.748	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]21	ZINC000974976259	800629125	/nfs/dbraw/zinc/62/91/25/800629125.db2.gz	UJNUPNZNEUZRIP-ZTFGCOKTSA-N	1	0	354.454	1.581	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1	ZINC001087428906	806850219	/nfs/dbraw/zinc/85/02/19/806850219.db2.gz	GAYUJKACBBXPBX-IPMKNSEASA-N	1	0	353.466	1.462	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C(C)(C)C1	ZINC000975030239	800785059	/nfs/dbraw/zinc/78/50/59/800785059.db2.gz	MLIULNQGRWWJAF-GVDBMIGSSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@@H+](CCn2nc(C)nc2C)CC1(C)C	ZINC000975061312	800806643	/nfs/dbraw/zinc/80/66/43/800806643.db2.gz	DYRFXHMYMSGESD-IKGGRYGDSA-N	1	0	361.490	1.313	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cc(CO)ccc2F)C1	ZINC001027076811	800892499	/nfs/dbraw/zinc/89/24/99/800892499.db2.gz	VHOMSHKOLKAXIJ-SUMDDJOVSA-N	1	0	362.445	1.847	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ncnn2CCF)C1	ZINC001027117159	801014914	/nfs/dbraw/zinc/01/49/14/801014914.db2.gz	RUAVYPPRWDCXFC-ZOBUZTSGSA-N	1	0	365.453	1.167	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21	ZINC000975262724	801046957	/nfs/dbraw/zinc/04/69/57/801046957.db2.gz	WUUXZTUIEPUGCH-DDBAPUKQSA-N	1	0	361.486	1.121	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1	ZINC000660705793	801181071	/nfs/dbraw/zinc/18/10/71/801181071.db2.gz	FUWZTTPTJNRHBG-INIZCTEOSA-N	1	0	372.469	1.750	20	30		FDEDRO
C=CC[C@@]1(C(=O)NC[C@@H](CO)Cc2cc(OC)cc(OC)c2)CCC[NH2+]1	ZINC000662647476	806923150	/nfs/dbraw/zinc/92/31/50/806923150.db2.gz	VNTRCERAYIYDFQ-JXFKEZNVSA-N	1	0	362.470	1.669	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CCN(C(=O)[C@H]4CCC[N@H+]4C)C[C@@H]32)cc1	ZINC000975617232	801675970	/nfs/dbraw/zinc/67/59/70/801675970.db2.gz	QZRRODCWGYKMNI-SXLOBPIMSA-N	1	0	365.477	1.825	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@H]2C1	ZINC000975621094	801769614	/nfs/dbraw/zinc/76/96/14/801769614.db2.gz	XVPQOQLLZJAVGM-XIRDDKMYSA-N	1	0	355.442	1.044	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]21	ZINC000975666641	801888128	/nfs/dbraw/zinc/88/81/28/801888128.db2.gz	ZMWKMBOUVNEEMO-VKJFTORMSA-N	1	0	369.469	1.434	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(NC(=O)N2CCOCC2)CC1	ZINC000660868035	801920632	/nfs/dbraw/zinc/92/06/32/801920632.db2.gz	VTKQRPNNDGPPOR-MRXNPFEDSA-N	1	0	366.506	1.306	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21	ZINC000975724313	802085367	/nfs/dbraw/zinc/08/53/67/802085367.db2.gz	NFHPFSZXDJPBBU-OTWHNJEPSA-N	1	0	355.482	1.191	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]21	ZINC000975821066	802519774	/nfs/dbraw/zinc/51/97/74/802519774.db2.gz	RGWFPFXPEGQJLN-ZQIUZPCESA-N	1	0	355.442	1.370	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCCCN(C(C)C)S(C)(=O)=O	ZINC000661115995	802730649	/nfs/dbraw/zinc/73/06/49/802730649.db2.gz	GMQCDXLIBDUPOL-IAGOWNOFSA-N	1	0	373.563	1.887	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccn1	ZINC000976156714	802991315	/nfs/dbraw/zinc/99/13/15/802991315.db2.gz	KEMGLKHTPIXBHY-NUJGCVRESA-N	1	0	354.454	1.336	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCN(CCOc3cccc(OC)c3)CC2)CCC[NH2+]1	ZINC000662796220	803290154	/nfs/dbraw/zinc/29/01/54/803290154.db2.gz	JDDHAFBRLBEJJI-NRFANRHFSA-N	1	0	373.497	1.917	20	30		FDEDRO
CC1CC[NH+](CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2cc(C#N)c[nH]2)CC1	ZINC000976476418	803431796	/nfs/dbraw/zinc/43/17/96/803431796.db2.gz	UUXYVNDYYYPTKP-IAGOWNOFSA-N	1	0	371.485	1.775	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@](CO)(OC)C2)c(OC)c1	ZINC000661398953	803477164	/nfs/dbraw/zinc/47/71/64/803477164.db2.gz	XDPMCXUCPSKFPG-XLIONFOSSA-N	1	0	365.470	1.637	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC000976538657	803489330	/nfs/dbraw/zinc/48/93/30/803489330.db2.gz	GUZZWSHIGMRVOT-JFIYKMOQSA-N	1	0	371.485	1.918	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21	ZINC000976586517	803563721	/nfs/dbraw/zinc/56/37/21/803563721.db2.gz	QLIIWQBYNQJALB-APWQULEDSA-N	1	0	361.486	1.025	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC2(F)F)CC1	ZINC000976630507	803642246	/nfs/dbraw/zinc/64/22/46/803642246.db2.gz	ZAGOMNOAHGTKSQ-BZUAXINKSA-N	1	0	367.440	1.530	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[C@H]4CCC)C[C@H]32)CC1	ZINC000976654425	803675096	/nfs/dbraw/zinc/67/50/96/803675096.db2.gz	GQPQKIHXRUMBDB-QQXKLLMISA-N	1	0	357.498	1.341	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1	ZINC000423086528	814958505	/nfs/dbraw/zinc/95/85/05/814958505.db2.gz	MADFKYKWAKXZCG-ROUUACIJSA-N	1	0	354.454	1.365	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1	ZINC000423184765	814983639	/nfs/dbraw/zinc/98/36/39/814983639.db2.gz	IPRJCMKYTPNWNE-ROUUACIJSA-N	1	0	352.438	1.283	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1	ZINC000423173141	814987567	/nfs/dbraw/zinc/98/75/67/814987567.db2.gz	XCMNEHVUWIBLOP-NVXWUHKLSA-N	1	0	359.470	1.653	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1	ZINC000423209974	814993281	/nfs/dbraw/zinc/99/32/81/814993281.db2.gz	GMYUQLUHVKJYMC-HIFRSBDPSA-N	1	0	360.414	1.305	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1	ZINC000423214715	815005202	/nfs/dbraw/zinc/00/52/02/815005202.db2.gz	MZARFGGFVHTXEH-LJQANCHMSA-N	1	0	372.425	1.321	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C[N@H+]2CCC[C@@H]2C)nc1	ZINC000977025614	804301334	/nfs/dbraw/zinc/30/13/34/804301334.db2.gz	HTOGXVFFZLXYBT-CGTJXYLNSA-N	1	0	368.481	1.704	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@]13C[C@@H]1CCCC3)C2	ZINC001112525848	804420342	/nfs/dbraw/zinc/42/03/42/804420342.db2.gz	IZNPOGBQOKELST-USNOLKROSA-N	1	0	357.498	1.534	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C[N@H+]2CC[C@H](C)C2)c1	ZINC000977170615	804506353	/nfs/dbraw/zinc/50/63/53/804506353.db2.gz	STYWYXAPPGAEIO-KFKAGJAMSA-N	1	0	368.481	1.562	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)C1	ZINC000662962844	804721970	/nfs/dbraw/zinc/72/19/70/804721970.db2.gz	NJVKXOOHNOMVBP-NXHRZFHOSA-N	1	0	363.502	1.546	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1c1ccccc1	ZINC001211673473	804822588	/nfs/dbraw/zinc/82/25/88/804822588.db2.gz	LJBPWQKJJUYMBJ-XWTMOSNGSA-N	1	0	357.454	1.180	20	30		FDEDRO
C[N@H+](Cc1ccc(OCC#N)cc1)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001027579426	805110852	/nfs/dbraw/zinc/11/08/52/805110852.db2.gz	IZUDZHPULULPNM-NXHRZFHOSA-N	1	0	370.453	1.133	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2C)CC1	ZINC000066922148	805388915	/nfs/dbraw/zinc/38/89/15/805388915.db2.gz	PUCDPPDYUYTKNO-UHFFFAOYSA-N	1	0	369.465	1.751	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)CC1CC[NH+](C)CC1	ZINC000978420280	805448186	/nfs/dbraw/zinc/44/81/86/805448186.db2.gz	IXDJTJDIKMXKNN-KURKYZTESA-N	1	0	363.502	1.369	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)C(C)(F)F)C2	ZINC001112531338	807003442	/nfs/dbraw/zinc/00/34/42/807003442.db2.gz	RNKPEKRSGUTCLQ-DEYYWGMASA-N	1	0	357.445	1.798	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccn(C)c(=O)c2)C1	ZINC001087430842	807137265	/nfs/dbraw/zinc/13/72/65/807137265.db2.gz	KQUUPWRYPMPDIQ-WOJBJXKFSA-N	1	0	363.461	1.997	20	30		FDEDRO
C#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cn3c(n2)COCC3)C1	ZINC001087430873	807139080	/nfs/dbraw/zinc/13/90/80/807139080.db2.gz	MRZYJDVVOKJFHN-QZTJIDSGSA-N	1	0	364.449	1.634	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cn(CC)nn2)C[C@H]1c1ccccc1	ZINC001211696558	807205078	/nfs/dbraw/zinc/20/50/78/807205078.db2.gz	JVOAJONJUSSHEZ-ZWKOTPCHSA-N	1	0	369.469	1.698	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccc(C(N)=O)o2)C1	ZINC001087432321	807305818	/nfs/dbraw/zinc/30/58/18/807305818.db2.gz	JHXXRSQQTURNIY-IAGOWNOFSA-N	1	0	365.433	1.990	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)N1CCC(C[NH3+])CC1	ZINC000423520714	815110524	/nfs/dbraw/zinc/11/05/24/815110524.db2.gz	FQMDUZCXNISQDC-QZTJIDSGSA-N	1	0	354.454	1.482	20	30		FDEDRO
CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	ZINC000423523818	815112713	/nfs/dbraw/zinc/11/27/13/815112713.db2.gz	ISMLLXMJZBYUGU-SJORKVTESA-N	1	0	356.470	1.728	20	30		FDEDRO
C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC1	ZINC000423550880	815128460	/nfs/dbraw/zinc/12/84/60/815128460.db2.gz	FYGGSAKJAIVMRR-OAHLLOKOSA-N	1	0	366.465	1.760	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccn(C)c2)C1	ZINC000981155645	807604932	/nfs/dbraw/zinc/60/49/32/807604932.db2.gz	ILCKPBBSSGVMJB-JQHSSLGASA-N	1	0	356.470	1.137	20	30		FDEDRO
N#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@@]34CC[N@H+](C3)CCC4)C2)[nH]1	ZINC000981175101	807649203	/nfs/dbraw/zinc/64/92/03/807649203.db2.gz	DIUDIIRGGZNIKP-MDOVXXIYSA-N	1	0	369.469	1.387	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)c[nH]1	ZINC000981189307	807686334	/nfs/dbraw/zinc/68/63/34/807686334.db2.gz	JUQQTUHMXYJQGK-GOEBONIOSA-N	1	0	369.469	1.529	20	30		FDEDRO
C[C@H]1CCN(C(=O)C(=O)N(Cc2ccc(C#N)cc2)C2CC2)C[C@@H]1C[NH3+]	ZINC000423575573	815145088	/nfs/dbraw/zinc/14/50/88/815145088.db2.gz	WAVGLQWDISLERE-YOEHRIQHSA-N	1	0	354.454	1.493	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C2CC2)cc1	ZINC000423569432	815140305	/nfs/dbraw/zinc/14/03/05/815140305.db2.gz	MLMNFCKTEKKOFN-RYQLBKOJSA-N	1	0	352.438	1.245	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C(=O)NCC(F)(F)F)C[C@H]1c1ccccc1	ZINC001211698563	807795841	/nfs/dbraw/zinc/79/58/41/807795841.db2.gz	VPDSQLAVRQAQEI-LSDHHAIUSA-N	1	0	367.371	1.272	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C[C@H]1c1ccccc1	ZINC000423628491	815169518	/nfs/dbraw/zinc/16/95/18/815169518.db2.gz	ANAAHWXGLIURHO-MSOLQXFVSA-N	1	0	366.465	1.354	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3ccn(C)c3)C2)CC1	ZINC000981544087	808114496	/nfs/dbraw/zinc/11/44/96/808114496.db2.gz	FGJOMROWPZTXFQ-QFBILLFUSA-N	1	0	370.497	1.385	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3ccccn3)C2)CC1	ZINC000981544902	808116217	/nfs/dbraw/zinc/11/62/17/808116217.db2.gz	VMHVVJADEPYRIX-FUHWJXTLSA-N	1	0	368.481	1.442	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN([C@H]2CCOC2)CC1)C(C)C	ZINC000663668632	808406124	/nfs/dbraw/zinc/40/61/24/808406124.db2.gz	PWNMCUVSNBGQFO-RBUKOAKNSA-N	1	0	364.534	1.801	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)cc1	ZINC000981870088	808686351	/nfs/dbraw/zinc/68/63/51/808686351.db2.gz	PZHZRICZJKIWMD-PKOBYXMFSA-N	1	0	353.466	1.778	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CNC(=O)c2cscn2)C[C@H]1c1ccccc1	ZINC001211702830	808826253	/nfs/dbraw/zinc/82/62/53/808826253.db2.gz	GSBWKGMFEWPECJ-JKSUJKDBSA-N	1	0	368.462	1.090	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCN(C(C)=O)C2)C[C@H]1c1ccccc1	ZINC001211702911	808853162	/nfs/dbraw/zinc/85/31/62/808853162.db2.gz	KXNNJOYGYAILGU-VWPQPMDRSA-N	1	0	367.493	1.852	20	30		FDEDRO
COCCN(Cc1cn(CCC#N)nc1-c1ccncc1)[C@@H](C)C(N)=O	ZINC000279415384	808983155	/nfs/dbraw/zinc/98/31/55/808983155.db2.gz	OKBGRXAXAWQCFK-AWEZNQCLSA-N	1	0	356.430	1.181	20	30		FDEDRO
C[NH+]=C(NCC(C)(C)N1CCOCC1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2	ZINC000261612179	809062958	/nfs/dbraw/zinc/06/29/58/809062958.db2.gz	AFUJWFXXOREQDH-BBWFWOEESA-N	1	0	364.534	1.610	20	30		FDEDRO
CC[C@H]([NH3+])CNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N	ZINC000418726566	809167310	/nfs/dbraw/zinc/16/73/10/809167310.db2.gz	LXZUPPKJUCIGOU-ZDUSSCGKSA-N	1	0	373.436	1.434	20	30		FDEDRO
N#CC1CCC(CNC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC1	ZINC000418890017	809298892	/nfs/dbraw/zinc/29/88/92/809298892.db2.gz	IXWMUKIUQGPDLE-JOCCRWCTSA-N	1	0	372.444	1.525	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1c1ccccc1	ZINC001211723061	809310745	/nfs/dbraw/zinc/31/07/45/809310745.db2.gz	OTAXCFJWVIDBMQ-FUHWJXTLSA-N	1	0	350.422	1.335	20	30		FDEDRO
C[NH+]=C(NCC(=O)N1CCc2ccccc2C1)N1CC[C@@]2(CCOC2)C1	ZINC000261663592	809331782	/nfs/dbraw/zinc/33/17/82/809331782.db2.gz	BDAUYOFYOGVJGW-HXUWFJFHSA-N	1	0	356.470	1.259	20	30		FDEDRO
N#Cc1ccccc1OC1CCC(NC(=O)C(=O)NCC2([NH3+])CCC2)CC1	ZINC000419026669	809423288	/nfs/dbraw/zinc/42/32/88/809423288.db2.gz	BRNMNZNECBANRJ-UHFFFAOYSA-N	1	0	370.453	1.362	20	30		FDEDRO
C[NH2+]CCCNC(=O)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	ZINC000419029032	809427945	/nfs/dbraw/zinc/42/79/45/809427945.db2.gz	FPQOFGQVUABTBP-UHFFFAOYSA-N	1	0	358.442	1.090	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000419119639	809574568	/nfs/dbraw/zinc/57/45/68/809574568.db2.gz	SHPDMACNXXCXTC-JSGCOSHPSA-N	1	0	367.371	1.369	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC[NH2+]1	ZINC000419123240	809577355	/nfs/dbraw/zinc/57/73/55/809577355.db2.gz	XYSUADDTEIMSNY-IUODEOHRSA-N	1	0	367.371	1.430	20	30		FDEDRO
C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000419112318	809583792	/nfs/dbraw/zinc/58/37/92/809583792.db2.gz	JWNRPFBVLNHVMO-GXTWGEPZSA-N	1	0	367.371	1.369	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3nncn3C2)C[C@H]1c1ccccc1	ZINC001211729465	809673290	/nfs/dbraw/zinc/67/32/90/809673290.db2.gz	AGGYSBASUJHKLC-GBESFXJTSA-N	1	0	363.465	1.448	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CNC(=O)C2CCC2)C[C@H]1c1ccccc1	ZINC001211729931	809674824	/nfs/dbraw/zinc/67/48/24/809674824.db2.gz	MEGDGIPIDWUZEQ-RBUKOAKNSA-N	1	0	353.466	1.510	20	30		FDEDRO
C[C@H]1CCC[N@H+](CCNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000366083211	809766563	/nfs/dbraw/zinc/76/65/63/809766563.db2.gz	UQPVKLZSIGAREW-RDJZCZTQSA-N	1	0	357.458	1.848	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCN2C(C)=O)C1	ZINC001087444609	809830700	/nfs/dbraw/zinc/83/07/00/809830700.db2.gz	OWKDJCLOLSXMTK-NJDAHSKKSA-N	1	0	367.493	1.995	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1	ZINC000424185138	815320004	/nfs/dbraw/zinc/32/00/04/815320004.db2.gz	FJIHKOWHCWISDU-LSDHHAIUSA-N	1	0	356.405	1.536	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCn2cncn2)C1	ZINC001211736008	809924595	/nfs/dbraw/zinc/92/45/95/809924595.db2.gz	CDFKJQPYJUUEMF-NZSAHSFTSA-N	1	0	369.469	1.453	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](CCCC)NC(N)=O)C[C@H]1c1ccccc1	ZINC001211736139	809925669	/nfs/dbraw/zinc/92/56/69/809925669.db2.gz	JSBCTXOEHUDOFF-GBESFXJTSA-N	1	0	370.497	1.821	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)C(N)=O)C[C@H]1c1ccccc1	ZINC001211745811	809985669	/nfs/dbraw/zinc/98/56/69/809985669.db2.gz	JRHKMWWWSUQQCZ-GBESFXJTSA-N	1	0	355.482	1.742	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@H]1OC	ZINC001212178000	810055380	/nfs/dbraw/zinc/05/53/80/810055380.db2.gz	FCZZRUSDABDKFY-OPYAIIAOSA-N	1	0	369.465	1.877	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1	ZINC001087455952	810072167	/nfs/dbraw/zinc/07/21/67/810072167.db2.gz	WXCLNPMCEHRSOE-SJLPKXTDSA-N	1	0	370.428	1.693	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccccc2)C[C@H]1C(F)(F)F	ZINC001112122272	810099399	/nfs/dbraw/zinc/09/93/99/810099399.db2.gz	FAMMROSDNQQWHF-HZPDHXFCSA-N	1	0	354.372	1.858	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1	ZINC000894125691	810276525	/nfs/dbraw/zinc/27/65/25/810276525.db2.gz	WMLWEHMVLFXZGB-SJORKVTESA-N	1	0	365.499	1.232	20	30		FDEDRO
C[C@@H]1COCCN1CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000433313784	810413574	/nfs/dbraw/zinc/41/35/74/810413574.db2.gz	RQYXXKCUOJMNKP-MRXNPFEDSA-N	1	0	354.458	1.669	20	30		FDEDRO
C[C@H]1COCCN1CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000433313783	810413705	/nfs/dbraw/zinc/41/37/05/810413705.db2.gz	RQYXXKCUOJMNKP-INIZCTEOSA-N	1	0	354.458	1.669	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)cc1	ZINC000433383683	810490981	/nfs/dbraw/zinc/49/09/81/810490981.db2.gz	BLHGPHJHPUBQTF-HNNXBMFYSA-N	1	0	354.414	1.371	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1	ZINC000429978031	810538424	/nfs/dbraw/zinc/53/84/24/810538424.db2.gz	CVYMCYVILSRZGX-QGZVFWFLSA-N	1	0	367.453	1.914	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1CCN(C[C@H]2CCOC2)CC1	ZINC000261738538	810555480	/nfs/dbraw/zinc/55/54/80/810555480.db2.gz	MGLOKFRNOFEUFR-XDNAFOTISA-N	1	0	364.534	1.420	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cn2cncn2)C1	ZINC001087459880	810562121	/nfs/dbraw/zinc/56/21/21/810562121.db2.gz	CKEHMZVBUUWMCK-QZTJIDSGSA-N	1	0	355.417	1.415	20	30		FDEDRO
CN(C)/C=[NH+]/c1ccc(N[C@@H](CC(N)=O)C(=O)OC(C)(C)C)cc1C#N	ZINC001167921807	810581935	/nfs/dbraw/zinc/58/19/35/810581935.db2.gz	IVOCOJCIVDNMPB-FPQGOQEYSA-N	1	0	359.430	1.777	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N1CCC[C@H](CC(N)=O)C1	ZINC000261752271	810706027	/nfs/dbraw/zinc/70/60/27/810706027.db2.gz	LXDPPFVJORQTIM-ATLSCFEFSA-N	1	0	362.518	1.887	20	30		FDEDRO
C[NH+]=C(NCCn1ccnc1C)N1CCN(c2cc(F)ccc2F)CC1	ZINC000261761470	810743519	/nfs/dbraw/zinc/74/35/19/810743519.db2.gz	OIBOWCXVEOFUGX-UHFFFAOYSA-N	1	0	362.428	1.867	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1COCCO1)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1	ZINC000261778257	810828803	/nfs/dbraw/zinc/82/88/03/810828803.db2.gz	OXVWGMOCYYULDA-BMGDILEWSA-N	1	0	365.449	1.968	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1COCCO1)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1	ZINC000261778261	810828833	/nfs/dbraw/zinc/82/88/33/810828833.db2.gz	OXVWGMOCYYULDA-QGTPRVQTSA-N	1	0	365.449	1.968	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1	ZINC001087463838	811188575	/nfs/dbraw/zinc/18/85/75/811188575.db2.gz	CEWZVGCCNGTZDJ-BOFPYLFWSA-N	1	0	370.428	1.994	20	30		FDEDRO
C[C@H](NC(=[NH2+])N1CCN(c2ncccn2)CC1)c1ccc([S@@](C)=O)cc1	ZINC000261789521	811320432	/nfs/dbraw/zinc/32/04/32/811320432.db2.gz	QSZJSZKAYHBVJT-RMKBEBRYSA-N	1	0	372.498	1.412	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCCC2)N1CC[C@H](C)[C@H](n2ccnc2)C1	ZINC000261963424	811355504	/nfs/dbraw/zinc/35/55/04/811355504.db2.gz	KVGKBIFXIMLLBK-LSDHHAIUSA-N	1	0	356.478	1.469	20	30		FDEDRO
COC(=O)[C@H]1[C@H](C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C1(F)F	ZINC000894222549	811393019	/nfs/dbraw/zinc/39/30/19/811393019.db2.gz	VDKUNIPKEWFXAY-DZGCQCFKSA-N	1	0	350.369	1.566	20	30		FDEDRO
C[NH+]=C(NCc1ccnc(N2CCCC2)c1)N1CC[C@H](c2cnn(C)c2)C1	ZINC000262446702	811469370	/nfs/dbraw/zinc/46/93/70/811469370.db2.gz	IXBRBSXCGMPUAP-KRWDZBQOSA-N	1	0	367.501	1.980	20	30		FDEDRO
CCOC(=O)C1CCN(C(NCc2cn3ccc(C)cc3n2)=[NH+]C)CC1	ZINC000262596987	811505407	/nfs/dbraw/zinc/50/54/07/811505407.db2.gz	XIQXCVBBHDEDTG-UHFFFAOYSA-N	1	0	357.458	1.993	20	30		FDEDRO
CN1CC[NH+]=C1NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1	ZINC000262635707	811519413	/nfs/dbraw/zinc/51/94/13/811519413.db2.gz	GSVQQKIFRSKOKL-UHFFFAOYSA-N	1	0	368.460	1.938	20	30		FDEDRO
C=CC[NH+]1CCC(NCc2c(I)cnn2C)CC1	ZINC000894229871	811581267	/nfs/dbraw/zinc/58/12/67/811581267.db2.gz	ZKDBUSYQZRPUSA-UHFFFAOYSA-N	1	0	360.243	1.765	20	30		FDEDRO
N#Cc1ccc(C[C@@H](C#N)C(=O)N2CC[NH+](C3CCOCC3)CC2)cc1	ZINC000280279619	811770129	/nfs/dbraw/zinc/77/01/29/811770129.db2.gz	DMZZTNPHLWKWCN-SFHVURJKSA-N	1	0	352.438	1.564	20	30		FDEDRO
N#CC1(CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)CCC1	ZINC000419628894	812050402	/nfs/dbraw/zinc/05/04/02/812050402.db2.gz	QLIQQEACKFQMTK-QZTJIDSGSA-N	1	0	356.470	1.862	20	30		FDEDRO
C[NH+]=C(NCCC1=CCCCC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1	ZINC000261809675	812051608	/nfs/dbraw/zinc/05/16/08/812051608.db2.gz	SIKACJSKWRXPGV-IBGZPJMESA-N	1	0	361.490	1.762	20	30		FDEDRO
N#Cc1ccccc1-c1ccc(CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1	ZINC000419650433	812075302	/nfs/dbraw/zinc/07/53/02/812075302.db2.gz	UDAGKWVCFQLNHW-QUCCMNQESA-N	1	0	374.444	1.662	20	30		FDEDRO
C=C(C)[C@@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccc(F)c(F)c1	ZINC000419672043	812083139	/nfs/dbraw/zinc/08/31/39/812083139.db2.gz	FYHUAHFPBCXOBT-XJKSGUPXSA-N	1	0	367.396	1.193	20	30		FDEDRO
N#Cc1cccc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])CCO2)c1	ZINC000420010664	813394829	/nfs/dbraw/zinc/39/48/29/813394829.db2.gz	FUKVLQBAGFXZIU-KURKYZTESA-N	1	0	370.453	1.092	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1	ZINC000420057551	813413323	/nfs/dbraw/zinc/41/33/23/813413323.db2.gz	NJDHAIHPZKUCTA-QRVBRYPASA-N	1	0	368.481	1.918	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+]	ZINC000420069831	813436425	/nfs/dbraw/zinc/43/64/25/813436425.db2.gz	UYIOSXTYRQRYGM-MSOLQXFVSA-N	1	0	372.469	1.167	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1	ZINC000420092366	813467149	/nfs/dbraw/zinc/46/71/49/813467149.db2.gz	FZARQBSSJPJKRA-FQEVSTJZSA-N	1	0	356.470	1.801	20	30		FDEDRO
CNC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1	ZINC000420967453	813889912	/nfs/dbraw/zinc/88/99/12/813889912.db2.gz	AACRDZRQZNWVAU-LSDHHAIUSA-N	1	0	358.442	1.398	20	30		FDEDRO
CNC(=O)[C@H]1CC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000420970134	813897044	/nfs/dbraw/zinc/89/70/44/813897044.db2.gz	GBBRVRPNAODMDI-AWEZNQCLSA-N	1	0	367.371	1.241	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC000983015969	814016932	/nfs/dbraw/zinc/01/69/32/814016932.db2.gz	RRFYCDYLAXNAJU-IKGGRYGDSA-N	1	0	361.486	1.028	20	30		FDEDRO
CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000421308402	814068131	/nfs/dbraw/zinc/06/81/31/814068131.db2.gz	YGPAGEZOFHITEP-LBPRGKRZSA-N	1	0	366.368	1.651	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN(Cc2ncc[nH]2)CC1)C(C)C	ZINC000502947079	814330160	/nfs/dbraw/zinc/33/01/60/814330160.db2.gz	CWDZBTFYSHHGLL-GOSISDBHSA-N	1	0	374.533	1.936	20	30		FDEDRO
C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1	ZINC000277177981	814346436	/nfs/dbraw/zinc/34/64/36/814346436.db2.gz	UMNMAQRNJKZGHE-AWEZNQCLSA-N	1	0	360.462	1.391	20	30		FDEDRO
N#CCCCNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1	ZINC000273123054	814788266	/nfs/dbraw/zinc/78/82/66/814788266.db2.gz	PESHYXCSHLECHQ-UHFFFAOYSA-N	1	0	369.469	1.577	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC(C)(C)CC#N)[C@@H](C)C1	ZINC000422320328	814808076	/nfs/dbraw/zinc/80/80/76/814808076.db2.gz	APRQOPDLCNZJTJ-HOTGVXAUSA-N	1	0	366.506	1.296	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)s1	ZINC001028804999	815730053	/nfs/dbraw/zinc/73/00/53/815730053.db2.gz	FPGCAHHQICEGSO-MCIONIFRSA-N	1	0	360.483	1.459	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC001028806444	815747766	/nfs/dbraw/zinc/74/77/66/815747766.db2.gz	KAVPJXLAGTYXNW-OKZBNKHCSA-N	1	0	354.454	1.221	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(Cc2csc(COC)n2)C1	ZINC001028808643	815776934	/nfs/dbraw/zinc/77/69/34/815776934.db2.gz	CDWQPOAXPGOBEH-BMFZPTHFSA-N	1	0	365.499	1.819	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2CC(=O)N(CC[N@@H+](C)CCOC)C2)CCCCC1	ZINC000425324418	815998188	/nfs/dbraw/zinc/99/81/88/815998188.db2.gz	WAMQVSINDNANCH-QGZVFWFLSA-N	1	0	365.518	1.808	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21	ZINC000425389046	816076572	/nfs/dbraw/zinc/07/65/72/816076572.db2.gz	UABVEIYKIGZNBX-FHLIZLRMSA-N	1	0	354.454	1.630	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1C#N	ZINC000435835577	816199292	/nfs/dbraw/zinc/19/92/92/816199292.db2.gz	NMBAXNBQAFDIAB-CZUORRHYSA-N	1	0	358.442	1.883	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)cc1	ZINC000425544563	816507775	/nfs/dbraw/zinc/50/77/75/816507775.db2.gz	PVYSCBPDMNUMOG-QUCCMNQESA-N	1	0	374.481	1.845	20	30		FDEDRO
C=CCn1cc(CNC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nn1	ZINC000425569787	816550108	/nfs/dbraw/zinc/55/01/08/816550108.db2.gz	ZWKAONFTZQEDEM-WBVHZDCISA-N	1	0	354.458	1.926	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](CO)C2CCOCC2)c1C	ZINC000516505220	816861791	/nfs/dbraw/zinc/86/17/91/816861791.db2.gz	SKXDJFYGEGRSPW-SFHVURJKSA-N	1	0	359.470	1.927	20	30		FDEDRO
C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCc2ccc(CC#N)cc2)C1	ZINC000516866407	817069880	/nfs/dbraw/zinc/06/98/80/817069880.db2.gz	VQDMZBRLRFFSPK-ROUUACIJSA-N	1	0	354.454	1.312	20	30		FDEDRO
C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)cc1	ZINC000425805937	817088154	/nfs/dbraw/zinc/08/81/54/817088154.db2.gz	QANFNPPDPDXSKB-XJKSGUPXSA-N	1	0	371.441	1.324	20	30		FDEDRO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1	ZINC000425875340	817267368	/nfs/dbraw/zinc/26/73/68/817267368.db2.gz	SVYPOMOBQKGEAH-CVEARBPZSA-N	1	0	356.470	1.926	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)N(C)[C@H](C)c1cccc(C#N)c1)C[NH+]1CCCC1	ZINC000425869668	817271307	/nfs/dbraw/zinc/27/13/07/817271307.db2.gz	KFLAHCRQLPNCFO-HZPDHXFCSA-N	1	0	356.470	1.926	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000425877479	817282127	/nfs/dbraw/zinc/28/21/27/817282127.db2.gz	WSHCALYRXPCYRP-MHORFTMASA-N	1	0	365.518	1.568	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000425875879	817291342	/nfs/dbraw/zinc/29/13/42/817291342.db2.gz	UOHMVIVETCFPEB-FHWLQOOXSA-N	1	0	371.481	1.475	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1	ZINC000425891728	817330083	/nfs/dbraw/zinc/33/00/83/817330083.db2.gz	UFUVSEVEMLVZAB-SZMVWBNQSA-N	1	0	359.470	1.330	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000425891380	817330481	/nfs/dbraw/zinc/33/04/81/817330481.db2.gz	OZQBZLLDPWPXAF-CVYDXHPNSA-N	1	0	363.502	1.463	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1	ZINC000506176290	817461867	/nfs/dbraw/zinc/46/18/67/817461867.db2.gz	WRZSSEUCJVFEEI-LJQANCHMSA-N	1	0	367.490	1.865	20	30		FDEDRO
C[C@@H]1COCC[N@@H+]1C1CCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1	ZINC000518393613	817864675	/nfs/dbraw/zinc/86/46/75/817864675.db2.gz	HJRHTJCIOSOAEB-QGZVFWFLSA-N	1	0	362.518	1.856	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1	ZINC000518736125	817974629	/nfs/dbraw/zinc/97/46/29/817974629.db2.gz	QOCSKHREWUAIRM-QGZVFWFLSA-N	1	0	350.426	1.485	20	30		FDEDRO
CCOC(=O)Cn1cc(C[NH2+]CC2(CC#N)CC2)c(-c2cnn(C)c2)n1	ZINC000894644575	818279218	/nfs/dbraw/zinc/27/92/18/818279218.db2.gz	LMMHIUXBVLUQIA-UHFFFAOYSA-N	1	0	356.430	1.630	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@@H+](CCO)CC[C@H]1c1ccc(OC)cc1	ZINC001087475791	818333068	/nfs/dbraw/zinc/33/30/68/818333068.db2.gz	BZSRRXZCODJFBC-YRPNKDGESA-N	1	0	374.481	1.553	20	30		FDEDRO
C#CCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1	ZINC001087476291	818373178	/nfs/dbraw/zinc/37/31/78/818373178.db2.gz	DGBHQGDGKJZMCN-YYWHXJBOSA-N	1	0	369.509	1.944	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1	ZINC000937415348	818862804	/nfs/dbraw/zinc/86/28/04/818862804.db2.gz	HMGOCKGHYKVPLQ-AYOQOUSVSA-N	1	0	368.481	1.514	20	30		FDEDRO
C[C@H]([NH2+]Cc1ccccc1C#N)C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1	ZINC001029145230	818932524	/nfs/dbraw/zinc/93/25/24/818932524.db2.gz	UMQCXCNGOUFYFM-VHSSKADRSA-N	1	0	354.454	1.396	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]Cc2nncs2)CC1	ZINC001029147123	818935760	/nfs/dbraw/zinc/93/57/60/818935760.db2.gz	ZRVUHUSXQYIKOR-CFVMTHIKSA-N	1	0	350.488	1.846	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(=O)[nH]n2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087491535	819121817	/nfs/dbraw/zinc/12/18/17/819121817.db2.gz	CYROKWYIXBMPMH-DOTOQJQBSA-N	1	0	351.410	1.837	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CCCOc2ccc3c(c2)CCC(=O)N3)CC1	ZINC000520246981	819273950	/nfs/dbraw/zinc/27/39/50/819273950.db2.gz	MIOJOSXKCSZUFM-UHFFFAOYSA-N	1	0	370.453	1.834	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C#CC2CC2)[C@H](CNC(=O)[C@@H]2CCCc3nc[nH]c32)C1	ZINC000983788536	819511735	/nfs/dbraw/zinc/51/17/35/819511735.db2.gz	RGLOCJDWVONJLU-HYVNUMGLSA-N	1	0	368.481	1.986	20	30		FDEDRO
O=C(NC1CC[NH+](Cc2ccccn2)CC1)N[C@@H]1CCCn2ncnc21	ZINC000328613967	819518127	/nfs/dbraw/zinc/51/81/27/819518127.db2.gz	QTZYZDRSBLFYCF-MRXNPFEDSA-N	1	0	355.446	1.676	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O	ZINC000328618136	819518853	/nfs/dbraw/zinc/51/88/53/819518853.db2.gz	UVFQIDUCCDPKTM-IAGOWNOFSA-N	1	0	365.522	1.060	20	30		FDEDRO
Cn1ncnc1[C@H]1COCCN1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1	ZINC000328901081	819572061	/nfs/dbraw/zinc/57/20/61/819572061.db2.gz	YQYVKKLFBBBUBM-GVDBMIGSSA-N	1	0	370.457	1.548	20	30		FDEDRO
C[N@@H+]1CC[C@H]2OCCN(CC(=O)Nc3cccc(N4CCCC4=O)c3)[C@H]2C1	ZINC000328917971	819592897	/nfs/dbraw/zinc/59/28/97/819592897.db2.gz	ACXVLLVPPMVURQ-ZWKOTPCHSA-N	1	0	372.469	1.806	20	30		FDEDRO
CN1C(=O)C[C@@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)[C@H]1c1ccc(F)c(F)c1	ZINC000328917458	819593015	/nfs/dbraw/zinc/59/30/15/819593015.db2.gz	AXCIYWLDQKMPJO-SRCQZFHVSA-N	1	0	366.412	1.787	20	30		FDEDRO
C[C@@H](CNC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C)C[NH+]1CCN(C)CC1	ZINC000328971023	819602155	/nfs/dbraw/zinc/60/21/55/819602155.db2.gz	OQTXMJNIUFOBDL-RCCFBDPRSA-N	1	0	359.518	1.994	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CC[N@H+](C)C2)c1	ZINC000983809517	819618144	/nfs/dbraw/zinc/61/81/44/819618144.db2.gz	UZFHXKPQFTXXSY-AYBZRNKSSA-N	1	0	368.481	1.372	20	30		FDEDRO
CC(C)(C)CN1CCC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)C1=O	ZINC001075780721	819628666	/nfs/dbraw/zinc/62/86/66/819628666.db2.gz	VKRRJXGDENACNP-GBESFXJTSA-N	1	0	371.525	1.970	20	30		FDEDRO
COc1cc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)ccc1NC(C)=O	ZINC000330631898	819630096	/nfs/dbraw/zinc/63/00/96/819630096.db2.gz	QDNBTFPRBLDQEX-UHFFFAOYSA-N	1	0	364.446	1.588	20	30		FDEDRO
Cc1ccc(N2CCC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC(C)(C)C)C2)nn1	ZINC000330715879	819636820	/nfs/dbraw/zinc/63/68/20/819636820.db2.gz	TYNDWRNEXXYNDH-KGLIPLIRSA-N	1	0	362.478	1.561	20	30		FDEDRO
Cc1ccccc1CC(=O)N1CCN(C(=O)N[C@H](C)CC[NH+](C)C)CC1	ZINC000330777250	819641913	/nfs/dbraw/zinc/64/19/13/819641913.db2.gz	KAQIXACGTAWXAS-QGZVFWFLSA-N	1	0	360.502	1.936	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CC2(C1)CCN(C(=O)OC(C)(C)C)C2	ZINC000895057174	819707735	/nfs/dbraw/zinc/70/77/35/819707735.db2.gz	SGVQKSUZCBHLOK-UHFFFAOYSA-N	1	0	364.490	1.594	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cccc(C)n3)[C@H]2CC)C1=O	ZINC001087504406	819761058	/nfs/dbraw/zinc/76/10/58/819761058.db2.gz	DWUANDQAFVHJEA-CGTJXYLNSA-N	1	0	356.470	1.760	20	30		FDEDRO
C[C@@H](CNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)[NH+](C)C	ZINC000459039673	819895783	/nfs/dbraw/zinc/89/57/83/819895783.db2.gz	JZJLSFMEWFORHJ-AWEZNQCLSA-N	1	0	369.473	1.508	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1	ZINC000983887821	819941460	/nfs/dbraw/zinc/94/14/60/819941460.db2.gz	BUBLBBLBTUNFMA-KDOFPFPSSA-N	1	0	371.485	1.585	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc(CC)n[nH]3)[C@H]2CC)C1=O	ZINC001087507193	820040203	/nfs/dbraw/zinc/04/02/03/820040203.db2.gz	KVOIYWQCOVQAFQ-USXIJHARSA-N	1	0	359.474	1.342	20	30		FDEDRO
CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1)[NH+](C)C	ZINC000983930310	820144339	/nfs/dbraw/zinc/14/43/39/820144339.db2.gz	VEGOMRNUDDEHOQ-KMFMINBZSA-N	1	0	359.474	1.583	20	30		FDEDRO
COC(=O)[C@@H]1CCCN(CCC(=O)Nc2ccccc2C#N)[C@@H]1C(=O)OC	ZINC000441633312	820226420	/nfs/dbraw/zinc/22/64/20/820226420.db2.gz	HDPPZURGOAXYEM-PBHICJAKSA-N	1	0	373.409	1.313	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC(C)C)nc2)CC1	ZINC000520700358	820392500	/nfs/dbraw/zinc/39/25/00/820392500.db2.gz	OVARQMOWSGHZCI-UHFFFAOYSA-N	1	0	360.458	1.964	20	30		FDEDRO
COc1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)ncn1	ZINC001075798613	820438993	/nfs/dbraw/zinc/43/89/93/820438993.db2.gz	IJDWZVRCRWMJEJ-FUHWJXTLSA-N	1	0	363.421	1.703	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnccc3C)[C@H]2CC)C1=O	ZINC001087529093	820602922	/nfs/dbraw/zinc/60/29/22/820602922.db2.gz	PKEZHGLETFFRFF-RCCFBDPRSA-N	1	0	356.470	1.760	20	30		FDEDRO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O	ZINC000520766301	820655924	/nfs/dbraw/zinc/65/59/24/820655924.db2.gz	RMKHMQZMWALKBD-SJLPKXTDSA-N	1	0	372.469	1.418	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)c1	ZINC000984060690	820680571	/nfs/dbraw/zinc/68/05/71/820680571.db2.gz	HFWZKIYXJSCDQA-SUMDDJOVSA-N	1	0	368.481	1.372	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1(C)C	ZINC000508336383	820932118	/nfs/dbraw/zinc/93/21/18/820932118.db2.gz	YEBQMZGBMBZDDQ-IBGZPJMESA-N	1	0	366.506	1.390	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1CCO[C@H]1CC1(F)F	ZINC001087535649	820936773	/nfs/dbraw/zinc/93/67/73/820936773.db2.gz	UWTWLHGMWQKCIL-CFVMTHIKSA-N	1	0	352.385	1.893	20	30		FDEDRO
N#Cc1cnn(-c2ccc(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)cc2)c1N	ZINC000520890654	820993489	/nfs/dbraw/zinc/99/34/89/820993489.db2.gz	CYBHCZIWFSNARW-ZDUSSCGKSA-N	1	0	350.426	1.540	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@H](C[NH2+][C@@H]1CCCN(O)C1=O)CC(F)(F)F	ZINC000895159352	821204037	/nfs/dbraw/zinc/20/40/37/821204037.db2.gz	UGCLEFLEDZNFSP-VHSXEESVSA-N	1	0	355.357	1.802	20	30		FDEDRO
C[NH+]=C(NC[C@H](c1ccco1)N1CCCC1)NC1CCN(C(C)=O)CC1	ZINC000262163829	821255380	/nfs/dbraw/zinc/25/53/80/821255380.db2.gz	BOYIQANWLZSAIA-QGZVFWFLSA-N	1	0	361.490	1.592	20	30		FDEDRO
C=C(Br)CN1CC[C@H](NC(=O)[C@@H](C)n2cncn2)[C@H]1CC	ZINC001087546902	821277497	/nfs/dbraw/zinc/27/74/97/821277497.db2.gz	LDLUUBQHEGCHJF-FRRDWIJNSA-N	1	0	356.268	1.717	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3nccn3CC)[C@H]2CC)C1=O	ZINC001087558138	821455083	/nfs/dbraw/zinc/45/50/83/821455083.db2.gz	PGMHCACMEBCZNT-XHSDSOJGSA-N	1	0	359.474	1.273	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3ccncc3C)[C@H]2CC)C1=O	ZINC001087572364	821569520	/nfs/dbraw/zinc/56/95/20/821569520.db2.gz	NQRLUNQIDPGUNE-IPMKNSEASA-N	1	0	370.497	1.689	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnn4c3CCC4)[C@H]2CC)C1=O	ZINC001087595631	821657028	/nfs/dbraw/zinc/65/70/28/821657028.db2.gz	NXVUIHZSSSCJGC-JZXOWHBKSA-N	1	0	371.485	1.199	20	30		FDEDRO
COC(=O)C[C@](C)([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccccn1	ZINC000429675245	821836311	/nfs/dbraw/zinc/83/63/11/821836311.db2.gz	WRHOGFKGBLPASG-JXFKEZNVSA-N	1	0	369.421	1.761	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCN(C)C2=O)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087692472	822067687	/nfs/dbraw/zinc/06/76/87/822067687.db2.gz	RSVXFGSYPJAKNF-OWCLPIDISA-N	1	0	360.483	1.567	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3[nH]c(C)nc3C)[C@H]2CC)C1=O	ZINC001087730016	822264089	/nfs/dbraw/zinc/26/40/89/822264089.db2.gz	KHHOLPNRNJJHDQ-ARFHVFGLSA-N	1	0	359.474	1.396	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1	ZINC000984312926	822344248	/nfs/dbraw/zinc/34/42/48/822344248.db2.gz	MBTDBWKPKNMTCZ-BHIYHBOVSA-N	1	0	368.481	1.743	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)Cn2ccc(C)n2)C[C@H]1C(F)(F)F	ZINC001112167797	822447081	/nfs/dbraw/zinc/44/70/81/822447081.db2.gz	GAWSNHRYDAVOMY-ZIAGYGMSSA-N	1	0	360.380	1.373	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(=O)n(C)n2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087819513	822498168	/nfs/dbraw/zinc/49/81/68/822498168.db2.gz	CCBCPHWPEFIMBR-FUHWJXTLSA-N	1	0	365.437	1.435	20	30		FDEDRO
C#CC1(O)CC[NH+](Cc2ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c2)CC1	ZINC000895378573	822558531	/nfs/dbraw/zinc/55/85/31/822558531.db2.gz	GWTXGXKTWCAOSW-INIZCTEOSA-N	1	0	374.481	1.901	20	30		FDEDRO
C=CCn1cc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)nn1	ZINC000895445737	822603256	/nfs/dbraw/zinc/60/32/56/822603256.db2.gz	LFYNRAPABXXJPS-SFHVURJKSA-N	1	0	371.489	1.632	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)/C=C\c4ccco4)C[C@@H]3C2)C1=O	ZINC001087869625	822647815	/nfs/dbraw/zinc/64/78/15/822647815.db2.gz	YUOMPOZLULEYRG-FYUUQTNASA-N	1	0	369.465	1.860	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccc(=O)[nH]n4)C[C@@H]3C2)cc1	ZINC001087875044	822673315	/nfs/dbraw/zinc/67/33/15/822673315.db2.gz	BXCJUDLJCUJQJN-SJORKVTESA-N	1	0	363.421	1.648	20	30		FDEDRO
C[N@@H+](Cc1cc(C#N)ccc1F)C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001029839887	828485776	/nfs/dbraw/zinc/48/57/76/828485776.db2.gz	LJVGBQNCWYCOAC-IMJJTQAJSA-N	1	0	358.417	1.099	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C(=O)N(C)C)cc3)CC[C@@H]2C1	ZINC001087909211	823754710	/nfs/dbraw/zinc/75/47/10/823754710.db2.gz	CRERVEZWEVFQPZ-LZQZEXGQSA-N	1	0	368.481	1.828	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC4CCCC4)CC[C@@H]3C2)c1	ZINC001087925636	823937895	/nfs/dbraw/zinc/93/78/95/823937895.db2.gz	WTKAOIGAUNHZNH-CVEARBPZSA-N	1	0	369.469	1.339	20	30		FDEDRO
CCN(CCC#N)C(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1	ZINC000446855097	828599409	/nfs/dbraw/zinc/59/94/09/828599409.db2.gz	GMJYQHNVLJGISX-UHFFFAOYSA-N	1	0	359.430	1.255	20	30		FDEDRO
CN1CCOC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)CC[C@@H]2C1	ZINC001087940560	824036823	/nfs/dbraw/zinc/03/68/23/824036823.db2.gz	NWCWASYKKOSGTI-AABGKKOBSA-N	1	0	368.481	1.169	20	30		FDEDRO
CCn1nnc(C)c1C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C1	ZINC001087940727	824037601	/nfs/dbraw/zinc/03/76/01/824037601.db2.gz	VFEVVUQLUAHECT-ZBFHGGJFSA-N	1	0	367.457	1.400	20	30		FDEDRO
CC(=O)N1CC(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4)CC[C@@H]3C2)C1	ZINC001087948269	824080847	/nfs/dbraw/zinc/08/08/47/824080847.db2.gz	RJWCQJROBSUNRI-MOPGFXCFSA-N	1	0	366.465	1.317	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)c2[nH]c3ccccc3c2C#N)CC1	ZINC000896162787	824118672	/nfs/dbraw/zinc/11/86/72/824118672.db2.gz	HPDBBXBBZTXLGH-UHFFFAOYSA-N	1	0	367.453	1.666	20	30		FDEDRO
O=C([C@@H]1COC(=O)N1)N1C[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)CC[C@@H]2C1	ZINC001087953561	824130627	/nfs/dbraw/zinc/13/06/27/824130627.db2.gz	AHXMOOKTTNMHMB-RYRKJORJSA-N	1	0	371.412	1.066	20	30		FDEDRO
Cn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)s4)CC[C@@H]3C2)nn1	ZINC001087956159	824144988	/nfs/dbraw/zinc/14/49/88/824144988.db2.gz	ASUZDKXHPFXREL-OLZOCXBDSA-N	1	0	356.455	1.342	20	30		FDEDRO
CC(C)(C)N1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)C1=O	ZINC001087961808	824183225	/nfs/dbraw/zinc/18/32/25/824183225.db2.gz	KMQXXLZHGJJILG-SQNIBIBYSA-N	1	0	357.498	1.580	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CO[C@@H]4CCOC4)C[C@@H]3C2)cc1	ZINC001087964474	824218312	/nfs/dbraw/zinc/21/83/12/824218312.db2.gz	MCJXLTYNFHYXFB-HSALFYBXSA-N	1	0	369.465	1.644	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3ccon3)[C@H]2CC)CC1	ZINC000984635000	824261969	/nfs/dbraw/zinc/26/19/69/824261969.db2.gz	LWULMYJCHGLXIH-DOTOQJQBSA-N	1	0	358.442	1.129	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2cccc(C(N)=O)c2)C1	ZINC001029846160	828639754	/nfs/dbraw/zinc/63/97/54/828639754.db2.gz	AMPMRHLYQAVMNF-QRQLOZEOSA-N	1	0	371.481	1.657	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H]1CC	ZINC000984689694	824491111	/nfs/dbraw/zinc/49/11/11/824491111.db2.gz	CSVQPQFKDYRBDP-GVDBMIGSSA-N	1	0	358.486	1.878	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2cccc(OC)n2)C1	ZINC001029846649	828654229	/nfs/dbraw/zinc/65/42/29/828654229.db2.gz	JHCCFTGSLXBEKH-NXHRZFHOSA-N	1	0	359.470	1.962	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)[C@H]2CC)c1	ZINC000984705531	824506464	/nfs/dbraw/zinc/50/64/64/824506464.db2.gz	SHAUYIMWGQETBP-RCCFBDPRSA-N	1	0	354.454	1.266	20	30		FDEDRO
CC1CC[NH+](C[C@@H](O)CNC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)CC1	ZINC000329038922	824540391	/nfs/dbraw/zinc/54/03/91/824540391.db2.gz	SCHSNOUHOIGJJG-LZLYRXPVSA-N	1	0	364.490	1.937	20	30		FDEDRO
CC1(C)COCCN1CCNC(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1	ZINC000329093453	824576857	/nfs/dbraw/zinc/57/68/57/824576857.db2.gz	AZMMLGUBFIWOQU-HNNXBMFYSA-N	1	0	366.506	1.534	20	30		FDEDRO
COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C	ZINC000896570166	824614878	/nfs/dbraw/zinc/61/48/78/824614878.db2.gz	JXNNGVBIVQVEBD-NVXWUHKLSA-N	1	0	374.485	1.476	20	30		FDEDRO
COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C	ZINC000896570155	824615259	/nfs/dbraw/zinc/61/52/59/824615259.db2.gz	JXNNGVBIVQVEBD-DOTOQJQBSA-N	1	0	374.485	1.476	20	30		FDEDRO
Cc1ccccc1C(=O)NCC(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1	ZINC000329174159	824645647	/nfs/dbraw/zinc/64/56/47/824645647.db2.gz	LPSAQZXPVCJZRO-QGZVFWFLSA-N	1	0	372.469	1.951	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)Cn3ncc4ccccc43)CC2)C1=O	ZINC000329198440	824661685	/nfs/dbraw/zinc/66/16/85/824661685.db2.gz	VQAAHYFCZQPHNO-QGZVFWFLSA-N	1	0	355.442	1.688	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCN2CCNC(=O)C2)C1	ZINC000329294771	824719526	/nfs/dbraw/zinc/71/95/26/824719526.db2.gz	JVTDCYQMXUZBCD-SJORKVTESA-N	1	0	365.522	1.759	20	30		FDEDRO
Cc1cc(C)nc(N2CCN(C(=O)N[C@@H]3C[N@H+](C(C)C)C[C@@H]3C)CC2)n1	ZINC000329326174	824738188	/nfs/dbraw/zinc/73/81/88/824738188.db2.gz	JFUDZUKREUHYBS-WMLDXEAASA-N	1	0	360.506	1.858	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccc(N4CCCC4)nc3)CC2)C1=O	ZINC000329348381	824748292	/nfs/dbraw/zinc/74/82/92/824748292.db2.gz	WAGVCIQRZRPJPV-KRWDZBQOSA-N	1	0	371.485	1.682	20	30		FDEDRO
CNC(=O)[C@H]1CN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C[C@@H]1c1cnn(C)c1	ZINC000329481062	824828104	/nfs/dbraw/zinc/82/81/04/824828104.db2.gz	VSBWKCVWWCSPQX-BBWFWOEESA-N	1	0	361.490	1.813	20	30		FDEDRO
O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)C1(N2CCOCC2)CCC1	ZINC000329493035	824836971	/nfs/dbraw/zinc/83/69/71/824836971.db2.gz	ZVEOKLWHWBMTEO-OALUTQOASA-N	1	0	373.497	1.833	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000896761078	824864477	/nfs/dbraw/zinc/86/44/77/824864477.db2.gz	KAMIPHJNXJKELS-KRWDZBQOSA-N	1	0	354.454	1.554	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2c(C)nn(C)c2Cl)C1	ZINC000984824659	825029320	/nfs/dbraw/zinc/02/93/20/825029320.db2.gz	OKKWBNKTZDUIPL-KQTLUZQSSA-N	1	0	366.893	1.957	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cncc(F)c3)CC[C@@H]2C1	ZINC001087997984	825075679	/nfs/dbraw/zinc/07/56/79/825075679.db2.gz	LDVYIWFHLHCQLH-HBFSDRIKSA-N	1	0	370.472	1.599	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+]1CCCC(C)(C)C1	ZINC000447417465	828743179	/nfs/dbraw/zinc/74/31/79/828743179.db2.gz	ILXYGMGUYREFRS-UHFFFAOYSA-N	1	0	358.442	1.744	20	30		FDEDRO
CC(=O)N1CCN(C(NCC(=O)N(C)C)=[NH+]C2CC2)CC12CCCCC2	ZINC000262323579	825189605	/nfs/dbraw/zinc/18/96/05/825189605.db2.gz	SNSFNFJBTYEPHY-UHFFFAOYSA-N	1	0	363.506	1.050	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1CC	ZINC000984895780	825260942	/nfs/dbraw/zinc/26/09/42/825260942.db2.gz	OXPOULGOXIWTGB-HSALFYBXSA-N	1	0	367.493	1.658	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4[nH]c(C)cc4C)C[C@@H]3C2)C1=O	ZINC001088014724	825276708	/nfs/dbraw/zinc/27/67/08/825276708.db2.gz	HTLLKHSGDXSLTJ-SQNIBIBYSA-N	1	0	370.497	1.812	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCC(=O)NC4)C[C@@H]3C2)cc1	ZINC001088022349	825353703	/nfs/dbraw/zinc/35/37/03/825353703.db2.gz	GQMCUDJGDNCSRC-OTWHNJEPSA-N	1	0	366.465	1.365	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@H]2CCNC(=O)CC2)C1	ZINC000984916707	825429538	/nfs/dbraw/zinc/42/95/38/825429538.db2.gz	KROKDIGVPMXYPO-RXYDEIHYSA-N	1	0	363.502	1.368	20	30		FDEDRO
CC[C@@H]1CN(C(=O)NC2CCN(C(=O)C3CC3)CC2)CC[N@@H+]1C[C@H](C)O	ZINC000329763507	825434920	/nfs/dbraw/zinc/43/49/20/825434920.db2.gz	UQDFBVAIJKSIIB-WMLDXEAASA-N	1	0	366.506	1.078	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)CC1	ZINC000329767948	825438634	/nfs/dbraw/zinc/43/86/34/825438634.db2.gz	FZXUCFOWNCKPKO-HNNXBMFYSA-N	1	0	362.478	1.212	20	30		FDEDRO
C[C@H](NC(=O)CN1CC[C@@H](N2CCOCC2)[C@H]1C)C(=O)N1CCCCC1	ZINC000329777984	825449111	/nfs/dbraw/zinc/44/91/11/825449111.db2.gz	KUPUUTITVXIKAA-GVDBMIGSSA-N	1	0	366.506	1.139	20	30		FDEDRO
Cc1cnn(C[C@H]2CN(C([O-])=[NH+]C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCO2)c1	ZINC000329793475	825459557	/nfs/dbraw/zinc/45/95/57/825459557.db2.gz	BBVSGPSRXXTAQY-HQSKLWIPSA-N	1	0	361.490	1.822	20	30		FDEDRO
[O-]C(=[NH+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CC[C@H](n2cccn2)C1	ZINC000329794867	825460146	/nfs/dbraw/zinc/46/01/46/825460146.db2.gz	GGRDNQUUOXABHR-KSZLIROESA-N	1	0	361.490	1.812	20	30		FDEDRO
CCc1cc(N2CCC[C@H](NC(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)C2)ncn1	ZINC000329799092	825462424	/nfs/dbraw/zinc/46/24/24/825462424.db2.gz	HCQITOMECMFLSQ-UAGQMJEPSA-N	1	0	360.506	1.994	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c(c3)CCC(=O)N4)C[C@@H]2C1	ZINC001088034297	825491570	/nfs/dbraw/zinc/49/15/70/825491570.db2.gz	CKMWSMIVZGHFCK-MSOLQXFVSA-N	1	0	351.450	1.989	20	30		FDEDRO
Cn1cnc2c(c1=O)CCN(C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)C2	ZINC000330116811	825650031	/nfs/dbraw/zinc/65/00/31/825650031.db2.gz	WAHRPUBMKVQTSN-KRWDZBQOSA-N	1	0	373.432	1.494	20	30		FDEDRO
Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@]4(CC[N@@H+](C)C4)C3)C2)nn1	ZINC000330169811	825701071	/nfs/dbraw/zinc/70/10/71/825701071.db2.gz	BNWBVLCJRRPQRQ-LPHOPBHVSA-N	1	0	358.490	1.695	20	30		FDEDRO
Cc1nn(C)c(C)c1[C@H]1[C@H](NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC(=O)N1C	ZINC000330174900	825706614	/nfs/dbraw/zinc/70/66/14/825706614.db2.gz	IQIMDAIGALWDKJ-HDMKZQKVSA-N	1	0	374.489	1.003	20	30		FDEDRO
C[C@@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)c1nnc2n1CCC2	ZINC000330203566	825732012	/nfs/dbraw/zinc/73/20/12/825732012.db2.gz	AWWCTHGPTPBPHR-ZIAGYGMSSA-N	1	0	362.478	1.384	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(N(C)Cc2ncnn2CCC)CC1	ZINC000985657936	828818309	/nfs/dbraw/zinc/81/83/09/828818309.db2.gz	OZUMCAJLIYXYOT-SJORKVTESA-N	1	0	361.490	1.702	20	30		FDEDRO
C[C@@H]1CN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@H]1CO	ZINC000330281016	825792561	/nfs/dbraw/zinc/79/25/61/825792561.db2.gz	UAAIAVDLKCSHNP-NEWSRXKRSA-N	1	0	361.486	1.752	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCC2CCN(C(=O)NC[C@@H]3COCCO3)CC2)C[C@H](C)O1	ZINC000330289962	825796454	/nfs/dbraw/zinc/79/64/54/825796454.db2.gz	CETPBDXFCYJCLX-SOLBZPMBSA-N	1	0	369.506	1.527	20	30		FDEDRO
CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1	ZINC000280938243	825825372	/nfs/dbraw/zinc/82/53/72/825825372.db2.gz	PMHKTGJWZOYQPU-LJQANCHMSA-N	1	0	353.470	1.336	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C	ZINC000280936584	825825549	/nfs/dbraw/zinc/82/55/49/825825549.db2.gz	FVTLVQVWZXXZCQ-YOEHRIQHSA-N	1	0	360.458	1.950	20	30		FDEDRO
C=C[C@H](CC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)OC)c1ccccc1	ZINC000281005260	825847992	/nfs/dbraw/zinc/84/79/92/825847992.db2.gz	DQKAYHIEQLLHAJ-GOSISDBHSA-N	1	0	373.497	1.595	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCOC2(CCOCC2)C1	ZINC000330311371	825893841	/nfs/dbraw/zinc/89/38/41/825893841.db2.gz	NVGPNCINIGPMNT-IAGOWNOFSA-N	1	0	367.490	1.160	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccnn1C	ZINC001029511449	825911737	/nfs/dbraw/zinc/91/17/37/825911737.db2.gz	MCFGCELQCZDEAP-RDGPPVDQSA-N	1	0	358.486	1.619	20	30		FDEDRO
C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3ccccc3N3C(=O)CCC3=O)C2)C1	ZINC000330333735	825939462	/nfs/dbraw/zinc/93/94/62/825939462.db2.gz	QBGZKMAOUQDEQT-LJQANCHMSA-N	1	0	356.426	1.913	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CCN1C(=O)C#CC1CC1	ZINC000984994774	826047687	/nfs/dbraw/zinc/04/76/87/826047687.db2.gz	IROOBBVVDCYJDH-GBESFXJTSA-N	1	0	359.514	1.873	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4c[nH]c(=O)cn4)C[C@@H]3C2)cc1	ZINC001088084005	826222802	/nfs/dbraw/zinc/22/28/02/826222802.db2.gz	TVDGGFYBAUNLPO-SJORKVTESA-N	1	0	363.421	1.236	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C	ZINC000281829329	826262975	/nfs/dbraw/zinc/26/29/75/826262975.db2.gz	PTIUSBHGTAFXBD-SJLPKXTDSA-N	1	0	359.470	1.827	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC000985086661	826315148	/nfs/dbraw/zinc/31/51/48/826315148.db2.gz	JPMUBINCRKSNQG-UAGQMJEPSA-N	1	0	357.458	1.480	20	30		FDEDRO
O=C(c1n[nH]cc1F)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001088095727	826359538	/nfs/dbraw/zinc/35/95/38/826359538.db2.gz	DPQYLJPPFKDGHD-SJORKVTESA-N	1	0	352.413	1.994	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccn(C)c4C)C[C@@H]3C2)C1=O	ZINC001088097025	826371921	/nfs/dbraw/zinc/37/19/21/826371921.db2.gz	LKMFEAUNEHIDSM-AOIWGVFYSA-N	1	0	370.497	1.514	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3C[N@H+](Cc4cn(C)nc4C)CC[C@@H]3C2)c1	ZINC001088099675	826390573	/nfs/dbraw/zinc/39/05/73/826390573.db2.gz	WFRWTDAXWLOBHK-XLIONFOSSA-N	1	0	363.465	1.699	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3C[N@H+](Cc4cc(C)ncn4)CC[C@@H]3C2)c1	ZINC001088099624	826390684	/nfs/dbraw/zinc/39/06/84/826390684.db2.gz	UAJFPVVLYTWMCT-MJGOQNOKSA-N	1	0	361.449	1.755	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3C[N@H+](CCc4cnn(C)c4)CC[C@@H]3C2)c1	ZINC001088099667	826391115	/nfs/dbraw/zinc/39/11/15/826391115.db2.gz	WARJVJGDXMGICC-QUCCMNQESA-N	1	0	363.465	1.433	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C(C)(C)C(F)F)C[C@@H]3C2)C1=O	ZINC001088098503	826392518	/nfs/dbraw/zinc/39/25/18/826392518.db2.gz	NENIIURWDRBPQR-QLFBSQMISA-N	1	0	369.456	1.845	20	30		FDEDRO
C[C@@]1(C(=O)N2C[C@@H]3C[N@@H+](CC#Cc4ccccc4)CC[C@@H]3C2)CCNC1=O	ZINC001088103673	826407251	/nfs/dbraw/zinc/40/72/51/826407251.db2.gz	FCWYDLHLHQUJCD-XQBPLPMBSA-N	1	0	365.477	1.345	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCC[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC001059490080	826419570	/nfs/dbraw/zinc/41/95/70/826419570.db2.gz	WPUAZJLRFMTRDM-IJEWVQPXSA-N	1	0	357.458	1.195	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4[nH]c(C)nc4C)C[C@@H]3C2)C1=O	ZINC001088110963	826436714	/nfs/dbraw/zinc/43/67/14/826436714.db2.gz	BQSCXSJCISBGGN-IXDOHACOSA-N	1	0	371.485	1.207	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CCN1C(=O)C#CC1CC1	ZINC000985124006	826442923	/nfs/dbraw/zinc/44/29/23/826442923.db2.gz	JDFVLZOHXARNQX-ZWKOTPCHSA-N	1	0	350.422	1.857	20	30		FDEDRO
O=C(CCc1cn[nH]n1)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001088111910	826443474	/nfs/dbraw/zinc/44/34/74/826443474.db2.gz	BNRTYIFTVAFFOL-MOPGFXCFSA-N	1	0	363.465	1.569	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccn(CC)n4)C[C@@H]3C2)C1=O	ZINC001088129996	826544895	/nfs/dbraw/zinc/54/48/95/826544895.db2.gz	QQBZTUFMWTUHHT-SOLBZPMBSA-N	1	0	371.485	1.084	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](CC[C@@H]4CCCO4)CC[C@@H]3C2)nn1	ZINC001088132775	826570427	/nfs/dbraw/zinc/57/04/27/826570427.db2.gz	FYXGHVLLTXBZKS-IKGGRYGDSA-N	1	0	359.474	1.427	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](CCOC4CCC4)CC[C@@H]3C2)nn1	ZINC001088133723	826575189	/nfs/dbraw/zinc/57/51/89/826575189.db2.gz	XNHQQVGLWOSHQB-CVEARBPZSA-N	1	0	359.474	1.427	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](C[C@@H]4CCCCO4)CC[C@@H]3C2)nn1	ZINC001088133751	826575631	/nfs/dbraw/zinc/57/56/31/826575631.db2.gz	YOMVAMFHOGPRTM-IKGGRYGDSA-N	1	0	359.474	1.427	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C)[nH]c1C)C2	ZINC001112536693	826581847	/nfs/dbraw/zinc/58/18/47/826581847.db2.gz	VARCGVWQBXSSJS-WWMYMODYSA-N	1	0	370.497	1.601	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1CC	ZINC000985165558	826670914	/nfs/dbraw/zinc/67/09/14/826670914.db2.gz	IYXLUNGIEIDEDX-DLBZAZTESA-N	1	0	370.497	1.879	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccnc(C)c4)C[C@@H]3C2)C1=O	ZINC001088146179	826730386	/nfs/dbraw/zinc/73/03/86/826730386.db2.gz	PUZXBIJSWRDYQH-QYZOEREBSA-N	1	0	368.481	1.571	20	30		FDEDRO
Cc1nonc1CC(=O)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001088156801	826901918	/nfs/dbraw/zinc/90/19/18/826901918.db2.gz	HNQRRXWQWSWGRZ-MOPGFXCFSA-N	1	0	364.449	1.753	20	30		FDEDRO
Cc1nonc1CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@@H]2C1	ZINC001088156904	826902684	/nfs/dbraw/zinc/90/26/84/826902684.db2.gz	MMFSPXXEGDZYHQ-MSOLQXFVSA-N	1	0	365.437	1.773	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2CC)cn1	ZINC000985212005	826919731	/nfs/dbraw/zinc/91/97/31/826919731.db2.gz	NTVKNYZRAMFONR-ZYSHUDEJSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#Cc1cccc(NC(=S)N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c1	ZINC000840822129	827066711	/nfs/dbraw/zinc/06/67/11/827066711.db2.gz	DITNYESKIQBKCY-QGZVFWFLSA-N	1	0	356.495	1.651	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](CCc4ccnn4C)CC[C@@H]3C2)cn1	ZINC001088175172	827225391	/nfs/dbraw/zinc/22/53/91/827225391.db2.gz	JFFDAKXZTVEPTE-MSOLQXFVSA-N	1	0	363.465	1.433	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4cnc(C)o4)CC[C@@H]3C2)nc1	ZINC001088174077	827254989	/nfs/dbraw/zinc/25/49/89/827254989.db2.gz	GSQWXDKALLVMLQ-SJORKVTESA-N	1	0	350.422	1.953	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]2C[N@H+]([C@H](CC)C(N)=O)CC[C@@H]2C1	ZINC001088183380	827306286	/nfs/dbraw/zinc/30/62/86/827306286.db2.gz	CXMXPPJTFLTHLQ-CEXWTWQISA-N	1	0	353.466	1.255	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(=O)C(C)C)C[C@@H]2C1	ZINC001088211137	827488653	/nfs/dbraw/zinc/48/86/53/827488653.db2.gz	SMIVYODDFNBPKN-CEXWTWQISA-N	1	0	359.514	1.827	20	30		FDEDRO
C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@](C)(O)C[NH+](C)C	ZINC000866921620	827771165	/nfs/dbraw/zinc/77/11/65/827771165.db2.gz	ZCSUSVDIAUFPPR-BLLLJJGKSA-N	1	0	363.886	1.451	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1	ZINC000665798071	827928288	/nfs/dbraw/zinc/92/82/88/827928288.db2.gz	VIOKZKHFSKAXNU-GOSISDBHSA-N	1	0	372.469	1.977	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC([N@H+](C)Cc2ccc(C#N)s2)CC1	ZINC000985478358	827973663	/nfs/dbraw/zinc/97/36/63/827973663.db2.gz	IJQQYDBXGKBYSA-GUYCJALGSA-N	1	0	363.483	1.846	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1	ZINC001088348352	828903044	/nfs/dbraw/zinc/90/30/44/828903044.db2.gz	RBJBGKBIQUECMV-ZACQAIPSSA-N	1	0	351.491	1.736	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCC1)N1CCCN(C(=O)c2ccccc2)CC1	ZINC000527299812	829023556	/nfs/dbraw/zinc/02/35/56/829023556.db2.gz	PIRYPYSRKUHSEH-INIZCTEOSA-N	1	0	354.454	1.785	20	30		FDEDRO
Cn1c(C#N)ccc1C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000448686830	829217034	/nfs/dbraw/zinc/21/70/34/829217034.db2.gz	MSSDLABYZPJEFU-UHFFFAOYSA-N	1	0	365.481	1.834	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+][C@H]1CCN(C(C)(C)C)C1=O	ZINC001168101867	829239651	/nfs/dbraw/zinc/23/96/51/829239651.db2.gz	YPJICZXJOHBDIK-JYJNAYRXSA-N	1	0	351.491	1.463	20	30		FDEDRO
Cn1c(C#N)ccc1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1	ZINC000448856370	829264852	/nfs/dbraw/zinc/26/48/52/829264852.db2.gz	ABYUZFWNKNHQCM-OAHLLOKOSA-N	1	0	365.437	1.846	20	30		FDEDRO
Cn1c(C#N)ccc1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1	ZINC000448980338	829321841	/nfs/dbraw/zinc/32/18/41/829321841.db2.gz	AAZZMXUBMYFUFL-UHFFFAOYSA-N	1	0	352.438	1.783	20	30		FDEDRO
Cn1c(C#N)ccc1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1	ZINC000448960778	829323257	/nfs/dbraw/zinc/32/32/57/829323257.db2.gz	HHPCYVBACHBUJI-UHFFFAOYSA-N	1	0	365.437	1.975	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]Cc2cnns2)C1	ZINC001088385597	829381675	/nfs/dbraw/zinc/38/16/75/829381675.db2.gz	NUBHEYBVVBPECJ-BMFZPTHFSA-N	1	0	350.488	1.990	20	30		FDEDRO
Cn1cc(C[C@H]2CC[N@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)cn1	ZINC000528401741	829384409	/nfs/dbraw/zinc/38/44/09/829384409.db2.gz	YWTJXYMSPOONLX-MRXNPFEDSA-N	1	0	362.433	1.584	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1	ZINC000528485197	829430706	/nfs/dbraw/zinc/43/07/06/829430706.db2.gz	AWRKQUZTHBUHPL-HKUYNNGSSA-N	1	0	359.470	1.342	20	30		FDEDRO
Cn1cc(C[NH2+]C[C@@H]2CCCCN2CCO)c(-c2ccc(C#N)cc2)n1	ZINC000449396773	829473246	/nfs/dbraw/zinc/47/32/46/829473246.db2.gz	SKSLGDURSHBMAC-IBGZPJMESA-N	1	0	353.470	1.895	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NCC(F)(F)F	ZINC001168109703	829525230	/nfs/dbraw/zinc/52/52/30/829525230.db2.gz	FHSYASGVIMDPPN-AGIUHOORSA-N	1	0	365.396	1.131	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)Nc1c(C)n[nH]c1C	ZINC001168110035	829533447	/nfs/dbraw/zinc/53/34/47/829533447.db2.gz	KPXLUOKPGMEMFG-YOEHRIQHSA-N	1	0	363.462	1.042	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]C[C@@H](O)COCc1ccco1	ZINC001168109771	829534912	/nfs/dbraw/zinc/53/49/12/829534912.db2.gz	HOWAAMFHUNXEKG-NJAFHUGGSA-N	1	0	366.458	1.234	20	30		FDEDRO
CC1([NH+]2CCOCC2)CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000528727217	829536712	/nfs/dbraw/zinc/53/67/12/829536712.db2.gz	GZVXRVNSTCQQPJ-LJQANCHMSA-N	1	0	368.481	1.850	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N(C)C1CCCCC1	ZINC001168110222	829550855	/nfs/dbraw/zinc/55/08/55/829550855.db2.gz	QURKBZKNBAVNDB-HKUYNNGSSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]Cc1nnnn1CCCC	ZINC001168110499	829554855	/nfs/dbraw/zinc/55/48/55/829554855.db2.gz	XFWQLQLLLPPBNX-HOCLYGCPSA-N	1	0	350.467	1.050	20	30		FDEDRO
N#Cc1ccc(CC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cn1	ZINC000528920934	829621005	/nfs/dbraw/zinc/62/10/05/829621005.db2.gz	WQGIGVMHPLMWJL-MOPGFXCFSA-N	1	0	350.422	1.247	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@@H]3C2)nc1	ZINC000985824903	829767493	/nfs/dbraw/zinc/76/74/93/829767493.db2.gz	VCFOOQYSWZDMIJ-AOIWGVFYSA-N	1	0	366.465	1.078	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNc2nc3c(cc2C#N)COCC3)CC1	ZINC000450277330	829905608	/nfs/dbraw/zinc/90/56/08/829905608.db2.gz	MASGUVDDCKSGKL-UHFFFAOYSA-N	1	0	364.453	1.785	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCCO[C@@H]3CCOC3)=[NH+]C[C@@H]2C1	ZINC000305038067	830537948	/nfs/dbraw/zinc/53/79/48/830537948.db2.gz	UDGUGZKTSSLRPR-HUUCEWRRSA-N	1	0	368.478	1.063	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](C(=O)NC[C@H]3CCC[N@H+]3CCCO)C2)c(F)c1	ZINC000452361904	830632674	/nfs/dbraw/zinc/63/26/74/830632674.db2.gz	KKRFYFKKXSNZBR-DLBZAZTESA-N	1	0	374.460	1.487	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)Nc3cccc(CC#N)c3)CC2)CCO1	ZINC000453611075	830967532	/nfs/dbraw/zinc/96/75/32/830967532.db2.gz	YVMMPONLYNHVDL-HNNXBMFYSA-N	1	0	370.453	1.403	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1C#N	ZINC000453614259	830969056	/nfs/dbraw/zinc/96/90/56/830969056.db2.gz	PJHZJVDCQCFRJC-HZSPNIEDSA-N	1	0	357.458	1.683	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)ccc1C#N	ZINC000453763988	831058085	/nfs/dbraw/zinc/05/80/85/831058085.db2.gz	OQWDPYDRMINMDX-DVOMOZLQSA-N	1	0	355.442	1.389	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1	ZINC000532264661	831079629	/nfs/dbraw/zinc/07/96/29/831079629.db2.gz	ONYYDECSMKHBSC-RBUKOAKNSA-N	1	0	372.469	1.614	20	30		FDEDRO
COc1ccc(CN2CC[C@H](NC(=O)c3cc(C)n[nH]3)[C@H]2C)cc1C#N	ZINC001088482586	831241950	/nfs/dbraw/zinc/24/19/50/831241950.db2.gz	NLHIWQBXLUVABV-CJNGLKHVSA-N	1	0	353.426	1.991	20	30		FDEDRO
COc1cc(C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)ccc1OCC(N)=O	ZINC000360058453	831284369	/nfs/dbraw/zinc/28/43/69/831284369.db2.gz	LRLOIDKJXHJOAN-HZMVEIRTSA-N	1	0	373.453	1.889	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CC[C@@H]2C1	ZINC000986366289	831556592	/nfs/dbraw/zinc/55/65/92/831556592.db2.gz	GHHKQMMLPJWTPY-RYRKJORJSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)cc1	ZINC000453922735	831865863	/nfs/dbraw/zinc/86/58/63/831865863.db2.gz	VIFLPOLHUCHGHA-CJNGLKHVSA-N	1	0	371.441	1.095	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N2CCCC2=O)C[C@H]1C(F)(F)F	ZINC001112208169	831955020	/nfs/dbraw/zinc/95/50/20/831955020.db2.gz	PDXIEIIAYQWMTH-MGPQQGTHSA-N	1	0	359.392	1.390	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@H](CCNC(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC001059730877	831992394	/nfs/dbraw/zinc/99/23/94/831992394.db2.gz	SKWFXYXYLIJPLC-CKEIUWERSA-N	1	0	357.458	1.195	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CCN1CC#Cc1ccc(F)cc1	ZINC001088505441	832040181	/nfs/dbraw/zinc/04/01/81/832040181.db2.gz	IWRDKJPKUGUWJP-MNEFBYGVSA-N	1	0	359.445	1.087	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)C2)C[C@H]1C(F)(F)F	ZINC001112212286	832070288	/nfs/dbraw/zinc/07/02/88/832070288.db2.gz	XSGOHTKRFYJHRZ-MGPQQGTHSA-N	1	0	361.408	1.800	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)CC[C@@H]3C2)c1	ZINC000986648113	832148823	/nfs/dbraw/zinc/14/88/23/832148823.db2.gz	XUHQECUOFNAJFD-NEWSRXKRSA-N	1	0	366.465	1.078	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)[C@H]2C)nc1	ZINC000988845215	837608631	/nfs/dbraw/zinc/60/86/31/837608631.db2.gz	LWHBRLBQFAQDED-UWWQBHOKSA-N	1	0	354.454	1.266	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C[C@@H]1COc2ccccc2O1	ZINC001088511253	832325051	/nfs/dbraw/zinc/32/50/51/832325051.db2.gz	GODWGRXDEAEFBF-BMFZPTHFSA-N	1	0	366.421	1.919	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@@H+](C)Cc2cnnn2CC)CC1	ZINC001029997753	832340983	/nfs/dbraw/zinc/34/09/83/832340983.db2.gz	COTBBIVULXZFNU-MSOLQXFVSA-N	1	0	361.490	1.560	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CCCCCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000986966277	832362428	/nfs/dbraw/zinc/36/24/28/832362428.db2.gz	GGJYWWWLQNOMSB-HYVNUMGLSA-N	1	0	371.485	1.728	20	30		FDEDRO
N#Cc1cccnc1-n1cc(NC(=O)C2C[NH+](C3CCOCC3)C2)cn1	ZINC000897403583	832362792	/nfs/dbraw/zinc/36/27/92/832362792.db2.gz	DINHKHRDDDHITC-UHFFFAOYSA-N	1	0	352.398	1.188	20	30		FDEDRO
C=CCCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001105439701	832385750	/nfs/dbraw/zinc/38/57/50/832385750.db2.gz	IDMFBPHIJLPVGI-WIRSXHRWSA-N	1	0	355.482	1.880	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C[C@@H]2COC(=O)C2)CCN1Cc1cc(F)ccc1C#N	ZINC001088522733	832403409	/nfs/dbraw/zinc/40/34/09/832403409.db2.gz	BZIZHLSRIVWDNY-IGCXYCKISA-N	1	0	359.401	1.730	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21	ZINC001075885131	832516869	/nfs/dbraw/zinc/51/68/69/832516869.db2.gz	GVPIMGZRHQAQPP-JENIJYKNSA-N	1	0	369.469	1.078	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3cccc(F)c3)[C@H]2C)CC1	ZINC000987258895	832714386	/nfs/dbraw/zinc/71/43/86/832714386.db2.gz	AOUDWRBTPJREJR-BEFAXECRSA-N	1	0	371.456	1.890	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000666286215	832825892	/nfs/dbraw/zinc/82/58/92/832825892.db2.gz	QTTSNRZEZCIBHE-HXUWFJFHSA-N	1	0	372.513	1.786	20	30		FDEDRO
C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3cc(C#N)cn3C(C)(C)C)C2)C1	ZINC000293514143	834450454	/nfs/dbraw/zinc/45/04/54/834450454.db2.gz	YEFZWPUAJLGMGN-HXUWFJFHSA-N	1	0	371.485	1.998	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cnc(N(C)C)cn2)CCN1Cc1ccccc1C#N	ZINC001088566753	834787219	/nfs/dbraw/zinc/78/72/19/834787219.db2.gz	CLTMZEHZDTVDGR-PBHICJAKSA-N	1	0	364.453	1.807	20	30		FDEDRO
COc1ccc(C#N)cc1CN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C	ZINC001088577857	835245781	/nfs/dbraw/zinc/24/57/81/835245781.db2.gz	SHNXHESHMOWTKV-RGCFKVTRSA-N	1	0	370.497	1.986	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3CCC)[C@H]2C)cn1	ZINC000988500174	835595200	/nfs/dbraw/zinc/59/52/00/835595200.db2.gz	XSNREAQMWSRIHN-AYOQOUSVSA-N	1	0	368.481	1.657	20	30		FDEDRO
C=C(Cl)CN1C[C@@H]2CCN(C(=O)c3ccc4c(c3)NC(=O)CO4)[C@@H]2C1	ZINC001075909845	835658605	/nfs/dbraw/zinc/65/86/05/835658605.db2.gz	BIHDDFXAVKMYGX-DZGCQCFKSA-N	1	0	361.829	1.916	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)Cc3ccccc3)[C@@H]2C)CC1	ZINC000988506464	835658708	/nfs/dbraw/zinc/65/87/08/835658708.db2.gz	MHNCQHHJOBGPDX-XLIONFOSSA-N	1	0	367.493	1.680	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)C[C@H](C)C3CC3)[C@@H]2C)CC1	ZINC000988507537	835662698	/nfs/dbraw/zinc/66/26/98/835662698.db2.gz	VJPUDYVPLWFLMI-FCEWJHQRSA-N	1	0	359.514	1.873	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1OC	ZINC001211994792	836027609	/nfs/dbraw/zinc/02/76/09/836027609.db2.gz	LDZNQDDYZLNTKP-KZNAEPCWSA-N	1	0	364.490	1.297	20	30		FDEDRO
CO[C@@H]1CN(Cc2cc(=O)oc3cc(C)ccc23)C[C@H]1NC(=O)[C@H](C)C#N	ZINC001212041710	836357026	/nfs/dbraw/zinc/35/70/26/836357026.db2.gz	YNXBAOXMANEDNF-MZMPZRCHSA-N	1	0	369.421	1.577	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCC3(F)F)[C@H]2C)CC1	ZINC000988698685	836740355	/nfs/dbraw/zinc/74/03/55/836740355.db2.gz	FJQCORFZIYHDIQ-KBMXLJTQSA-N	1	0	367.440	1.483	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC000988952367	837984517	/nfs/dbraw/zinc/98/45/17/837984517.db2.gz	LOTXFOKMDCEQMM-WBMJQRKESA-N	1	0	362.393	1.567	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)[C@H]2C)nc1	ZINC000989024408	838141536	/nfs/dbraw/zinc/14/15/36/838141536.db2.gz	NBXPEVAEMYYVHB-WBVHZDCISA-N	1	0	366.465	1.411	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC000989024852	838142762	/nfs/dbraw/zinc/14/27/62/838142762.db2.gz	QRBCIHWBSHPNRE-CJNGLKHVSA-N	1	0	355.442	1.234	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2ccc(N3NC(=O)CCC3=O)cc2)CC1	ZINC000264529862	838334637	/nfs/dbraw/zinc/33/46/37/838334637.db2.gz	ZVHYOMCPEJAFPN-UHFFFAOYSA-N	1	0	370.453	1.615	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H]1CC(=O)N(C2CC2)C1)C(C)C	ZINC000272553786	838438463	/nfs/dbraw/zinc/43/84/63/838438463.db2.gz	FONADRUOUUOOOB-SJLPKXTDSA-N	1	0	362.518	1.995	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cnn(-c3ccccc3)n2)CC1	ZINC000273297133	838444678	/nfs/dbraw/zinc/44/46/78/838444678.db2.gz	JVPYZIXWKFXHMQ-UHFFFAOYSA-N	1	0	368.441	1.363	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2C(=O)OCC)CC1	ZINC000272863220	838451074	/nfs/dbraw/zinc/45/10/74/838451074.db2.gz	KYYPJRSAZMSBES-UHFFFAOYSA-N	1	0	373.453	1.959	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)c1	ZINC000273623357	838455597	/nfs/dbraw/zinc/45/55/97/838455597.db2.gz	VNHXELBEMQTTMN-UHFFFAOYSA-N	1	0	357.454	1.875	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(N(C)C)c2)[C@@H]1C	ZINC001088630818	838620331	/nfs/dbraw/zinc/62/03/31/838620331.db2.gz	BHFZJYKBZHSDDQ-QMMLZNLJSA-N	1	0	368.525	1.929	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2N(C)C)[C@@H]1C	ZINC001088631024	838621664	/nfs/dbraw/zinc/62/16/64/838621664.db2.gz	NVLQBAVBUGUNBI-LMNJBCLMSA-N	1	0	368.525	1.929	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)CC1	ZINC000245557872	844364921	/nfs/dbraw/zinc/36/49/21/844364921.db2.gz	KFDNXKBIOICHLI-WOJBJXKFSA-N	1	0	369.513	1.865	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CCCO)C3)[C@@H]2C(C)C)nc1	ZINC001105670356	844383776	/nfs/dbraw/zinc/38/37/76/844383776.db2.gz	ZNPFFFVZJMHIKE-WERVVEIQSA-N	1	0	371.481	1.025	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1	ZINC000459950921	839117370	/nfs/dbraw/zinc/11/73/70/839117370.db2.gz	SLCOBFRQLOBZJV-GOSISDBHSA-N	1	0	354.454	1.603	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN(c3ccc(C#N)nn3)C2)CC[N@@H+]1C	ZINC001059968595	839531545	/nfs/dbraw/zinc/53/15/45/839531545.db2.gz	KBWPQWGEKKBLMJ-HYVNUMGLSA-N	1	0	356.474	1.411	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3ccc(F)cn3)[C@H]2C)C1=O	ZINC001088673564	839563607	/nfs/dbraw/zinc/56/36/07/839563607.db2.gz	HZAUZIWYZRGXMR-XOKHGSTOSA-N	1	0	360.433	1.129	20	30		FDEDRO
CCN1CCOC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H]1C	ZINC001088684610	839727755	/nfs/dbraw/zinc/72/77/55/839727755.db2.gz	GJZFUMMRUHCGSI-MNEFBYGVSA-N	1	0	356.470	1.358	20	30		FDEDRO
C#CCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CCO2	ZINC001105481827	839771724	/nfs/dbraw/zinc/77/17/24/839771724.db2.gz	HAGSULIDZKQBMA-KYBDOYODSA-N	1	0	370.497	1.677	20	30		FDEDRO
COCC#CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CC[C@@H](C)O1)CCO2	ZINC001105482005	839773045	/nfs/dbraw/zinc/77/30/45/839773045.db2.gz	PDXFYIFYSSARIR-BOHSKOPMSA-N	1	0	364.486	1.334	20	30		FDEDRO
C=C(Cl)CN1C[C@@H]2CCN(C(=O)c3cn4c(n3)C[C@@H](OC)CC4)[C@@H]2C1	ZINC001075938697	839816509	/nfs/dbraw/zinc/81/65/09/839816509.db2.gz	FWJRTEQLSXXZGI-OFQRWUPVSA-N	1	0	364.877	1.743	20	30		FDEDRO
Cc1c(Br)c(C)n(NC(=O)C[C@@H]2CC[N@@H+](C)C2)c(=O)c1C#N	ZINC000897598439	839899632	/nfs/dbraw/zinc/89/96/32/839899632.db2.gz	WBNMSSSSEZLZFB-NSHDSACASA-N	1	0	367.247	1.511	20	30		FDEDRO
C=CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)cc1OC	ZINC000897611600	839964297	/nfs/dbraw/zinc/96/42/97/839964297.db2.gz	JJRXZXNQWLQHEF-HIFRSBDPSA-N	1	0	354.472	1.616	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(F)F)[C@@H]2C(C)C)C[C@H]1O	ZINC001105584690	839994058	/nfs/dbraw/zinc/99/40/58/839994058.db2.gz	JKHYIVZMZYIMPW-ATNYBXOESA-N	1	0	358.429	1.258	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccncc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105587884	840033924	/nfs/dbraw/zinc/03/39/24/840033924.db2.gz	OJDKCLMDJKYELG-WERVVEIQSA-N	1	0	371.481	1.311	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105587998	840035845	/nfs/dbraw/zinc/03/58/45/840035845.db2.gz	PWHHCNVXZTYRRA-RWQQGDIJSA-N	1	0	354.491	1.192	20	30		FDEDRO
N#CCCn1cc(CN2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)c(-c2ccccc2)n1	ZINC000897619356	840040308	/nfs/dbraw/zinc/04/03/08/840040308.db2.gz	UGQOPWGFWFETLV-HDICACEKSA-N	1	0	370.478	1.940	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105593814	840309181	/nfs/dbraw/zinc/30/91/81/840309181.db2.gz	GRPLAOMVYOBHOI-SOAMZJECSA-N	1	0	359.470	1.244	20	30		FDEDRO
N#Cc1cccc([C@H]2CN(C(=O)N[C@@H]3C[NH2+]CCC3(F)F)CCO2)c1	ZINC000842007569	840639930	/nfs/dbraw/zinc/63/99/30/840639930.db2.gz	YWVONYYJLHEOIX-HUUCEWRRSA-N	1	0	350.369	1.638	20	30		FDEDRO
C=CCOc1ccc(C[NH2+][C@H]2CN(C(=O)OCC)C[C@@H]2CO)cc1OC	ZINC000898359483	840966301	/nfs/dbraw/zinc/96/63/01/840966301.db2.gz	QDJKGOZNDPVTPJ-CVEARBPZSA-N	1	0	364.442	1.799	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COC3CCCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105600108	840983477	/nfs/dbraw/zinc/98/34/77/840983477.db2.gz	AYMDKFDXKBOYKP-UKAVVXHISA-N	1	0	362.514	1.935	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105600610	840999989	/nfs/dbraw/zinc/99/99/89/840999989.db2.gz	KJBBTZQWWOFVHH-FTEYMNFISA-N	1	0	358.486	1.941	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCC3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105600473	841010806	/nfs/dbraw/zinc/01/08/06/841010806.db2.gz	HXJLNYQERIHDLZ-LFGUQSLTSA-N	1	0	350.503	1.955	20	30		FDEDRO
CCCOCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC#CCOC)C2)[C@@H]1C(C)C	ZINC001105603151	841163331	/nfs/dbraw/zinc/16/33/31/841163331.db2.gz	FGKGSBJICDORHR-JYBIWHBTSA-N	1	0	366.502	1.029	20	30		FDEDRO
C=CCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)N3CCC3)C2)[C@H]1C(C)C	ZINC001105604102	841174583	/nfs/dbraw/zinc/17/45/83/841174583.db2.gz	RMRLIGLEANTXSU-XNFNUYLZSA-N	1	0	363.502	1.151	20	30		FDEDRO
C=CCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cncn3C)C2)[C@@H]1C(C)C	ZINC001105603963	841180679	/nfs/dbraw/zinc/18/06/79/841180679.db2.gz	QUWYJVJFNMZOHD-JYBIWHBTSA-N	1	0	360.502	1.852	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cnn(C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105604346	841183455	/nfs/dbraw/zinc/18/34/55/841183455.db2.gz	TWUGTPOWGPORNF-IZBJGVDFSA-N	1	0	360.502	1.505	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cc(C)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105606190	841204210	/nfs/dbraw/zinc/20/42/10/841204210.db2.gz	AZMHHSJTMFRZPX-JYBIWHBTSA-N	1	0	358.486	1.181	20	30		FDEDRO
CCOCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC#CCOC)C2)[C@H]1C(C)C	ZINC001105607902	841238087	/nfs/dbraw/zinc/23/80/87/841238087.db2.gz	ZOEVWICTCVGULW-LFGUQSLTSA-N	1	0	366.502	1.029	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088691313	841309932	/nfs/dbraw/zinc/30/99/32/841309932.db2.gz	HQTCKJPCPGTXQC-KYJSFNMBSA-N	1	0	370.453	1.194	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C)C1	ZINC000989791290	841479310	/nfs/dbraw/zinc/47/93/10/841479310.db2.gz	XCMITDRUCHRIDL-WBVHZDCISA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[NH2+][C@@H](C(C)C)C1	ZINC000643494606	841613081	/nfs/dbraw/zinc/61/30/81/841613081.db2.gz	JQAMNCXIMIZISP-GOSISDBHSA-N	1	0	359.470	1.666	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@H]1C(C)C	ZINC001105614904	842228521	/nfs/dbraw/zinc/22/85/21/842228521.db2.gz	LFOJSYNQJPOUGN-LFGUQSLTSA-N	1	0	368.518	1.318	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(OC)no3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105618941	842234387	/nfs/dbraw/zinc/23/43/87/842234387.db2.gz	CGTAXRHKYZOKDI-BCXHYRKLSA-N	1	0	361.442	1.286	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc[nH]c(=O)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105619616	842238600	/nfs/dbraw/zinc/23/86/00/842238600.db2.gz	OKCQULFZXQRFMF-ZTRFORPCSA-N	1	0	357.454	1.390	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)ccn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105619906	842240206	/nfs/dbraw/zinc/24/02/06/842240206.db2.gz	SRVDXEHLRXFQNN-REHHDOPLSA-N	1	0	357.498	1.937	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(F)=C(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105620014	842240914	/nfs/dbraw/zinc/24/09/14/842240914.db2.gz	VDTODODDMJVMDK-HBXLWWENSA-N	1	0	366.477	1.866	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cncnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105622770	842249295	/nfs/dbraw/zinc/24/92/95/842249295.db2.gz	HPGZJXVJFMWGQG-HNBVOPMISA-N	1	0	356.470	1.009	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(CC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105623674	842252308	/nfs/dbraw/zinc/25/23/08/842252308.db2.gz	SDTFOUNWCFEIRR-MYZZLAAOSA-N	1	0	361.490	1.454	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nn(C)cc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105626508	842257053	/nfs/dbraw/zinc/25/70/53/842257053.db2.gz	CFSMBOILDPAQOD-ZTRFORPCSA-N	1	0	360.502	1.884	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C#CC3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105627845	842260376	/nfs/dbraw/zinc/26/03/76/842260376.db2.gz	PUNNEJBQZPHBGX-QCFAMHMHSA-N	1	0	358.482	1.016	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCOCC)C2)[C@@H]1C(C)C	ZINC001105631411	842264172	/nfs/dbraw/zinc/26/41/72/842264172.db2.gz	BQZMMNIQDIUCTA-JYBIWHBTSA-N	1	0	366.502	1.029	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCC=C)C2)[C@@H]1C(C)C	ZINC001105631462	842264260	/nfs/dbraw/zinc/26/42/60/842264260.db2.gz	CMZFTAOLQQHXAR-RMVXJAJNSA-N	1	0	362.514	1.959	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCOCC=C)[C@H]2C(C)C)C[C@H]1O	ZINC001105614189	842265840	/nfs/dbraw/zinc/26/58/40/842265840.db2.gz	FJPWTAIPCYKATK-QCFAMHMHSA-N	1	0	362.514	1.959	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cnc(C)o3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637542	842272089	/nfs/dbraw/zinc/27/20/89/842272089.db2.gz	RTQWVGRHAGSAIT-HNBVOPMISA-N	1	0	359.470	1.515	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(COCC)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105642388	842305512	/nfs/dbraw/zinc/30/55/12/842305512.db2.gz	JCARTRJBOGLJSS-DCXXXQMHSA-N	1	0	362.514	1.793	20	30		FDEDRO
CCC1(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CC#CCOC)C3)[C@H]2C(C)C)CC1	ZINC001105654785	842475998	/nfs/dbraw/zinc/47/59/98/842475998.db2.gz	BQLGLLNQTUHRMZ-NEYJZJCJSA-N	1	0	362.514	1.793	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@H]1C(C)C	ZINC001105655813	842479368	/nfs/dbraw/zinc/47/93/68/842479368.db2.gz	LEFOWZRQPONTPY-WOCWXWTJSA-N	1	0	352.519	1.937	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3ccc(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105657331	842494379	/nfs/dbraw/zinc/49/43/79/842494379.db2.gz	YGIGJICEJLYIBV-IZBJGVDFSA-N	1	0	360.502	1.734	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccnc3OC)[C@H]2C(C)C)C[C@H]1O	ZINC001105658016	842496368	/nfs/dbraw/zinc/49/63/68/842496368.db2.gz	CYEHWSHGVGXQOV-WIRSXHRWSA-N	1	0	371.481	1.693	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(Cc2sc(C)nc2C)C[C@@H]1O	ZINC001083470552	842593516	/nfs/dbraw/zinc/59/35/16/842593516.db2.gz	ZCSSVDFOXNXFQN-WCVJEAGWSA-N	1	0	365.499	1.402	20	30		FDEDRO
COc1cnc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)nc1	ZINC001088732288	842633989	/nfs/dbraw/zinc/63/39/89/842633989.db2.gz	YLOGLSIYOXVPCQ-DYVFJYSZSA-N	1	0	351.410	1.750	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cn(C)ccc2=O)CCN1CC#Cc1ccc(F)cc1	ZINC001088734776	842665558	/nfs/dbraw/zinc/66/55/58/842665558.db2.gz	DBFSAQDZMNKXIG-BEFAXECRSA-N	1	0	367.424	1.769	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc3n(n2)CCCO3)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088735862	842671806	/nfs/dbraw/zinc/67/18/06/842671806.db2.gz	MHPZAUBZVXYWBI-PBHICJAKSA-N	1	0	365.437	1.930	20	30		FDEDRO
C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(C#N)c1	ZINC000462035678	843291354	/nfs/dbraw/zinc/29/13/54/843291354.db2.gz	XNEVGDFDSJLFFJ-CRAIPNDOSA-N	1	0	356.470	1.721	20	30		FDEDRO
C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(C#N)c1	ZINC000462035680	843291432	/nfs/dbraw/zinc/29/14/32/843291432.db2.gz	XNEVGDFDSJLFFJ-QAPCUYQASA-N	1	0	356.470	1.721	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3cnccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105666695	843292550	/nfs/dbraw/zinc/29/25/50/843292550.db2.gz	IIHWPEVWURTPFB-QCFAMHMHSA-N	1	0	370.497	1.399	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(=O)NCC3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667989	843745545	/nfs/dbraw/zinc/74/55/45/843745545.db2.gz	VLQDJWWRNSIBKK-VIPLHTEESA-N	1	0	363.502	1.055	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(=O)[nH]c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105668299	843786160	/nfs/dbraw/zinc/78/61/60/843786160.db2.gz	IZUZDESAEBKUGT-ZTRFORPCSA-N	1	0	357.454	1.390	20	30		FDEDRO
CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)C1	ZINC000898566853	844854314	/nfs/dbraw/zinc/85/43/14/844854314.db2.gz	RYOSZHDUMWJHMQ-OALUTQOASA-N	1	0	354.454	1.316	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CCSC1	ZINC000480281993	844999766	/nfs/dbraw/zinc/99/97/66/844999766.db2.gz	XUMAMVFHLHMNBJ-SFHVURJKSA-N	1	0	370.482	1.493	20	30		FDEDRO
N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N[C@H]3CC[NH2+]C3)c2)s1	ZINC000842162529	845129730	/nfs/dbraw/zinc/12/97/30/845129730.db2.gz	XHHJVOCJTRQMQH-AWEZNQCLSA-N	1	0	354.435	1.381	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCn3cccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105672692	845203166	/nfs/dbraw/zinc/20/31/66/845203166.db2.gz	CSBNIKBAUZGASJ-IZBJGVDFSA-N	1	0	358.486	1.263	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)cc1C#N	ZINC000842181336	845372932	/nfs/dbraw/zinc/37/29/32/845372932.db2.gz	WRAWMSPJRAQUCK-UHFFFAOYSA-N	1	0	366.421	1.171	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1	ZINC000667737634	845695518	/nfs/dbraw/zinc/69/55/18/845695518.db2.gz	RKGOLVIJUWJWFB-LNLFQRSKSA-N	1	0	364.534	1.474	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCCOCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105675431	845731047	/nfs/dbraw/zinc/73/10/47/845731047.db2.gz	OKQNKOMZIAWHCV-RWQQGDIJSA-N	1	0	354.491	1.192	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1	ZINC000899098075	845790498	/nfs/dbraw/zinc/79/04/98/845790498.db2.gz	LPUPVKFMKCRXTM-IBGZPJMESA-N	1	0	372.513	1.915	20	30		FDEDRO
CN(C)c1ccc([C@@H](CNC(=O)N2CCN(CCC#N)CC2)[NH+](C)C)cc1	ZINC000899099127	845793746	/nfs/dbraw/zinc/79/37/46/845793746.db2.gz	VVKOHFHEUDAYRV-LJQANCHMSA-N	1	0	372.517	1.596	20	30		FDEDRO
CON=C(C(=O)N(C)CCCC[NH+]1CCCCC1)c1csc(N)n1	ZINC000899230132	845962224	/nfs/dbraw/zinc/96/22/24/845962224.db2.gz	JMZBZEHELMZODH-UHFFFAOYSA-N	1	0	353.492	1.800	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCc3n[nH]c(=O)cc3C2)c(OC)c1	ZINC000481308376	846365861	/nfs/dbraw/zinc/36/58/61/846365861.db2.gz	LDPFPGKIJSFNTG-INIZCTEOSA-N	1	0	371.437	1.717	20	30		FDEDRO
C[N@H+](CCO)CCNC(=O)c1cccc(COc2ccc(C#N)cc2)c1	ZINC000899733864	846651423	/nfs/dbraw/zinc/65/14/23/846651423.db2.gz	LJCRICHKMCFGQD-UHFFFAOYSA-N	1	0	353.422	1.791	20	30		FDEDRO
COc1cc(C)cnc1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1O	ZINC001083531748	846759376	/nfs/dbraw/zinc/75/93/76/846759376.db2.gz	GGQXYLNUNAAKFW-SJORKVTESA-N	1	0	366.421	1.245	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C2CC2)C[C@@H]1O	ZINC001083535679	846921502	/nfs/dbraw/zinc/92/15/02/846921502.db2.gz	FRUUNFFITWVBAU-HKBOAZHASA-N	1	0	367.493	1.323	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccc(CC)cc2)C[C@@H]1O	ZINC001083535891	846923717	/nfs/dbraw/zinc/92/37/17/846923717.db2.gz	SCHFUJFXXGFNHJ-HKBOAZHASA-N	1	0	369.509	1.050	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(OC)ccn4)[C@@H]3C2)C1=O	ZINC001076121131	847319241	/nfs/dbraw/zinc/31/92/41/847319241.db2.gz	RKCKEKILGCRVBM-JCGIZDLHSA-N	1	0	370.453	1.023	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4occc4Cl)[C@@H]3C2)C1=O	ZINC001076213789	847577589	/nfs/dbraw/zinc/57/75/89/847577589.db2.gz	DUXXDSKKSFTNOG-NWANDNLSSA-N	1	0	363.845	1.866	20	30		FDEDRO
Cn1ncc(CCC(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)n1	ZINC001076251590	847696526	/nfs/dbraw/zinc/69/65/26/847696526.db2.gz	LKCAMIPHHIWSFN-PKOBYXMFSA-N	1	0	364.453	1.352	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]21	ZINC001076263457	847721766	/nfs/dbraw/zinc/72/17/66/847721766.db2.gz	CAMWWFVMQYJBTK-MLHJIOFPSA-N	1	0	361.486	1.123	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CC[C@H]3C[N@H+](C[C@@H]4CCCCO4)C[C@H]32)nn1	ZINC001076345173	847920232	/nfs/dbraw/zinc/92/02/32/847920232.db2.gz	RNGGNZSRPFMTAM-XYJFISCASA-N	1	0	359.474	1.570	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4nc[nH]n4)[C@@H]3C2)cc1	ZINC001076375364	847993733	/nfs/dbraw/zinc/99/37/33/847993733.db2.gz	CPBXGSZKCLEKAL-GOEBONIOSA-N	1	0	352.398	1.054	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](C#N)C2CCCCC2)CC1=O	ZINC000482477982	848062741	/nfs/dbraw/zinc/06/27/41/848062741.db2.gz	MRDGJRGAGWWECZ-KSZLIROESA-N	1	0	360.502	1.908	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]21	ZINC001076500494	848292776	/nfs/dbraw/zinc/29/27/76/848292776.db2.gz	ATTSUCZNQUQGKA-VQTJNVASSA-N	1	0	365.477	1.366	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(CNC(N)=O)cc3)[C@@H]2C1	ZINC001076552429	848393204	/nfs/dbraw/zinc/39/32/04/848393204.db2.gz	ZZSMVGFUMYJIAK-ZWKOTPCHSA-N	1	0	356.470	1.967	20	30		FDEDRO
C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(Cc4ccc(C#N)cc4F)C[C@H]32)C1	ZINC001076567943	848459624	/nfs/dbraw/zinc/45/96/24/848459624.db2.gz	NRWYHJIVRZACIN-YQVWRLOYSA-N	1	0	356.445	1.682	20	30		FDEDRO
N#CC1(NC(=O)CCCCNC(N)=O)CC[NH+](Cc2ccccc2)CC1	ZINC000482642105	848478523	/nfs/dbraw/zinc/47/85/23/848478523.db2.gz	RURGOQTYQATSAW-UHFFFAOYSA-N	1	0	357.458	1.500	20	30		FDEDRO
CCn1nc(C)c(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)n1	ZINC001076639773	848605280	/nfs/dbraw/zinc/60/52/80/848605280.db2.gz	LSDBMMOSYSUYSJ-ZWKOTPCHSA-N	1	0	364.453	1.825	20	30		FDEDRO
N#CCOc1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3ccsc3)C2)cc1	ZINC001076719960	848864184	/nfs/dbraw/zinc/86/41/84/848864184.db2.gz	WLAMVYDNTROQKR-IAGOWNOFSA-N	1	0	357.435	1.626	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(C)([NH+](C)C)CC2)c1	ZINC000913401540	861963967	/nfs/dbraw/zinc/96/39/67/861963967.db2.gz	SNGZXSYEWCCLTL-UHFFFAOYSA-N	1	0	365.499	1.707	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)[C@@H](C)C1	ZINC000249260981	849172729	/nfs/dbraw/zinc/17/27/29/849172729.db2.gz	ZANAIEUJOVUDGM-DZGCQCFKSA-N	1	0	360.462	1.463	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCC(F)(F)C3)C[C@H]2O)c1	ZINC001076855814	849213651	/nfs/dbraw/zinc/21/36/51/849213651.db2.gz	OMGKRSPUQOXDNJ-NILFDRSVSA-N	1	0	352.385	1.487	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCC(F)(F)C3)C[C@H]2O)c1	ZINC001076855813	849213788	/nfs/dbraw/zinc/21/37/88/849213788.db2.gz	OMGKRSPUQOXDNJ-KCPJHIHWSA-N	1	0	352.385	1.487	20	30		FDEDRO
CC(C)c1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1	ZINC001076855700	849214499	/nfs/dbraw/zinc/21/44/99/849214499.db2.gz	IKHOSTATUSIBMF-RTBURBONSA-N	1	0	352.438	1.985	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)Nc1ccc(C(=O)OC)cc1OCC(=O)NC	ZINC000913427398	862028273	/nfs/dbraw/zinc/02/82/73/862028273.db2.gz	IFPOZSVYGXUDEO-UHFFFAOYSA-N	1	0	363.414	1.044	20	30		FDEDRO
Cc1cc(C(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@H]2O)cc(C)n1	ZINC001077063524	849668932	/nfs/dbraw/zinc/66/89/32/849668932.db2.gz	QVEYREJAOVFFFY-RTBURBONSA-N	1	0	350.422	1.545	20	30		FDEDRO
COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)C3C=CC=CC=C3)C2)cc1C#N	ZINC001077074039	849690812	/nfs/dbraw/zinc/69/08/12/849690812.db2.gz	MAAMKWLZDFFNNV-RTBURBONSA-N	1	0	365.433	1.527	20	30		FDEDRO
C=C(Br)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2COCCO2)C1	ZINC001102696891	849704682	/nfs/dbraw/zinc/70/46/82/849704682.db2.gz	OEJYMIIEILSWQF-MRVWCRGKSA-N	1	0	361.280	1.385	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1O	ZINC001077139065	849874793	/nfs/dbraw/zinc/87/47/93/849874793.db2.gz	VSVSCZLFEIDXSO-SQWLQELKSA-N	1	0	353.413	1.884	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(c1nc([C@@H]3CC(=O)N(CC4CCC4)C3)no1)C2	ZINC000904098642	850954269	/nfs/dbraw/zinc/95/42/69/850954269.db2.gz	YDJQSUWFKIGTJK-XNDRKVBMSA-N	1	0	355.442	1.792	20	30		FDEDRO
N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)cc2)c1	ZINC000904616142	851314003	/nfs/dbraw/zinc/31/40/03/851314003.db2.gz	WQSWAXXOADGKHM-BBRMVZONSA-N	1	0	371.828	1.783	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1	ZINC000904991647	851590618	/nfs/dbraw/zinc/59/06/18/851590618.db2.gz	WNWKTMYXAHOYID-INIZCTEOSA-N	1	0	374.510	1.816	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H](O)CC1(O)CCC(C(=O)OCC)CC1	ZINC000905064067	851649715	/nfs/dbraw/zinc/64/97/15/851649715.db2.gz	GRGTXOPKWWUEEY-OWYJLGKBSA-N	1	0	364.280	1.720	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H]([NH2+]C[C@H](O)CC3(CO)CCCC3)C2=O)cc1	ZINC000905229263	851737771	/nfs/dbraw/zinc/73/77/71/851737771.db2.gz	ITSZHBYCECSJOD-RTBURBONSA-N	1	0	371.481	1.552	20	30		FDEDRO
Cc1cccc(-c2nnc3n2C[C@@H](C(=O)NCC#CC[NH+](C)C)CC3)c1	ZINC000913522969	862287761	/nfs/dbraw/zinc/28/77/61/862287761.db2.gz	HHUFDCCBRFVRQS-KRWDZBQOSA-N	1	0	351.454	1.497	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)CN1CCCC[C@@H](OCc2ccccc2)C1=O	ZINC000913523551	862289545	/nfs/dbraw/zinc/28/95/45/862289545.db2.gz	DYKMHURRDXVYQB-LJQANCHMSA-N	1	0	371.481	1.266	20	30		FDEDRO
Cc1nnc(SCC(=O)NCC#CC[NH+](C)C)n1-c1cc(C)ccc1C	ZINC000913515110	862295060	/nfs/dbraw/zinc/29/50/60/862295060.db2.gz	JHJJTLUDXBFCNH-UHFFFAOYSA-N	1	0	371.510	1.966	20	30		FDEDRO
Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NCC#CC[NH+](C)C)C2)c1	ZINC000913516709	862298784	/nfs/dbraw/zinc/29/87/84/862298784.db2.gz	BNRBATTVDOGJRJ-SFHVURJKSA-N	1	0	355.482	1.837	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H](O)Cc2ccccc2F)cc1	ZINC000905474690	851949415	/nfs/dbraw/zinc/94/94/15/851949415.db2.gz	QDWMBHHBGFTRNM-MRXNPFEDSA-N	1	0	362.426	1.664	20	30		FDEDRO
C#CCN1CCC[C@H]([NH2+]C[C@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000905460584	851962867	/nfs/dbraw/zinc/96/28/67/851962867.db2.gz	NEYZURPEPHGKEY-ROUUACIJSA-N	1	0	365.518	1.682	20	30		FDEDRO
C#CCN1CCC[C@@H]([NH2+]C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000905462509	851963611	/nfs/dbraw/zinc/96/36/11/851963611.db2.gz	UEXNPBFKHBARPA-YLJYHZDGSA-N	1	0	365.518	1.826	20	30		FDEDRO
COc1ccc([C@H]2[C@@H](C(=O)NCC#CC[NH+](C)C)CCC(=O)N2C)cc1	ZINC000913519283	862304008	/nfs/dbraw/zinc/30/40/08/862304008.db2.gz	USMMZWMDNHPGDY-HKUYNNGSSA-N	1	0	357.454	1.286	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCN2CCc3ccccc32)nc1	ZINC000905575719	852049241	/nfs/dbraw/zinc/04/92/41/852049241.db2.gz	KDPHUMCQYXQLJY-UHFFFAOYSA-N	1	0	356.451	1.379	20	30		FDEDRO
Cn1cc([C@]2(C[NH2+]C[C@H](O)COc3ccc(C#N)cc3)CCCO2)cn1	ZINC000905688018	852144876	/nfs/dbraw/zinc/14/48/76/852144876.db2.gz	SAVSKGHQUFUDQM-PKOBYXMFSA-N	1	0	356.426	1.327	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C	ZINC000905688820	852147590	/nfs/dbraw/zinc/14/75/90/852147590.db2.gz	ICEIXGQIUQTQSL-CAOSSQGBSA-N	1	0	352.479	1.323	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1O	ZINC001083593098	852179503	/nfs/dbraw/zinc/17/95/03/852179503.db2.gz	DAVUPBYCAAXIQG-AABGKKOBSA-N	1	0	370.497	1.340	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1Cn1cc(CNC(=O)C2CC[NH2+]CC2)nn1	ZINC000905826366	852323257	/nfs/dbraw/zinc/32/32/57/852323257.db2.gz	BZKCAWUSTRDIBX-UHFFFAOYSA-N	1	0	352.442	1.431	20	30		FDEDRO
C#CCN(C(=O)c1ccc(OC)cc1OCCOC)C1CC[NH+](C)CC1	ZINC000906452491	852901265	/nfs/dbraw/zinc/90/12/65/852901265.db2.gz	UQKSERCQHGQSSP-UHFFFAOYSA-N	1	0	360.454	1.890	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000907043479	853685888	/nfs/dbraw/zinc/68/58/88/853685888.db2.gz	OKOJUTGWPIVOKP-IBGZPJMESA-N	1	0	368.481	1.483	20	30		FDEDRO
C[N@@H+]1CCC[C@](O)(CC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000907270297	853973947	/nfs/dbraw/zinc/97/39/47/853973947.db2.gz	NUKXYYPXDXVYIV-PXNSSMCTSA-N	1	0	370.453	1.017	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1CN(CCn2cc(Cl)cn2)C[C@H]1OC	ZINC001212148268	862528380	/nfs/dbraw/zinc/52/83/80/862528380.db2.gz	FCHLSXUFIMPJDR-HZPDHXFCSA-N	1	0	352.866	1.546	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)CCCN2CC[NH+](C(C)C)CC2)n1	ZINC000907838357	854709447	/nfs/dbraw/zinc/70/94/47/854709447.db2.gz	NNPGSIISUBPDPP-UHFFFAOYSA-N	1	0	359.518	1.671	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C(=O)CCCN2CC[NH+](C(C)C)CC2)C1=O	ZINC000907960830	854849637	/nfs/dbraw/zinc/84/96/37/854849637.db2.gz	WSEWYGXPBNHUSC-KRWDZBQOSA-N	1	0	350.507	1.038	20	30		FDEDRO
Cc1cc(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)cc(C)c1C#N	ZINC000908186665	855155489	/nfs/dbraw/zinc/15/54/89/855155489.db2.gz	XVHOLWUNKISABO-SFHVURJKSA-N	1	0	354.454	1.600	20	30		FDEDRO
CN(C)c1ccc([C@@H](CNS(=O)(=O)CC2(C#N)CC2)[NH+](C)C)cc1	ZINC000908459726	855444781	/nfs/dbraw/zinc/44/47/81/855444781.db2.gz	IMMPPNOMLIACRX-MRXNPFEDSA-N	1	0	350.488	1.578	20	30		FDEDRO
C[NH+]1CCC2(CCC(NC(=O)CCNC(=O)C3N=CC=CC3=O)CC2)CC1	ZINC000908500502	855483778	/nfs/dbraw/zinc/48/37/78/855483778.db2.gz	CZVJMIVQZHLSPH-HNENSFHCSA-N	1	0	374.485	1.674	20	30		FDEDRO
C=CCn1c(C2CCOCC2)nnc1N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000908678342	855696089	/nfs/dbraw/zinc/69/60/89/855696089.db2.gz	GBQIJZSVLKHOEO-QGZVFWFLSA-N	1	0	363.506	1.905	20	30		FDEDRO
C=CCn1c(-c2ncnc3[nH]cnc32)nnc1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	ZINC000908715804	855720542	/nfs/dbraw/zinc/72/05/42/855720542.db2.gz	UUTQECHFHUTYLH-XIKOKIGWSA-N	1	0	365.445	1.137	20	30		FDEDRO
C[NH+](C)CCN1C[C@H](C(=O)N[C@@H](CCCC#N)c2ccccc2)CC1=O	ZINC000487189029	856101579	/nfs/dbraw/zinc/10/15/79/856101579.db2.gz	UVEOTRUWEPADLT-MSOLQXFVSA-N	1	0	356.470	1.948	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2CNC(=O)C2)nnc1N1CCC(CC)([NH+]2CCC2)CC1	ZINC000909294831	856377456	/nfs/dbraw/zinc/37/74/56/856377456.db2.gz	XYDYIUPOINAZQF-INIZCTEOSA-N	1	0	372.517	1.912	20	30		FDEDRO
C#CCCCc1nnc(N2CC[NH+](CC3CC3)CC2)n1C[C@@H]1CCCO1	ZINC000909766482	856513822	/nfs/dbraw/zinc/51/38/22/856513822.db2.gz	DDQDPGFSNDKPBB-SFHVURJKSA-N	1	0	357.502	1.945	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[N@@H+](CC)C[C@@H]2C)c1	ZINC000910295293	857071667	/nfs/dbraw/zinc/07/16/67/857071667.db2.gz	KYTRGWVSEGKZFE-HNNXBMFYSA-N	1	0	365.499	1.707	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NC[C@H](CC[NH+](C)C)OCC)cc2C1=O	ZINC000488145748	857199663	/nfs/dbraw/zinc/19/96/63/857199663.db2.gz	HUAAXVCLNKXCLE-HNNXBMFYSA-N	1	0	373.453	1.555	20	30		FDEDRO
C#CCC1(NC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCCCC1	ZINC000916073956	881345377	/nfs/dbraw/zinc/34/53/77/881345377.db2.gz	YSUGBRMAPLUKLQ-KRWDZBQOSA-N	1	0	362.518	1.955	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2[C@H](C)CO)CC1	ZINC000668842253	857715352	/nfs/dbraw/zinc/71/53/52/857715352.db2.gz	JZVVMADFSRXPMH-NVXWUHKLSA-N	1	0	351.491	1.153	20	30		FDEDRO
CC[C@@H]1CCCN(C(=O)C(=O)N(c2ccc(C#N)cn2)[C@H]2CCC[NH2+]C2)C1	ZINC000910858632	857787732	/nfs/dbraw/zinc/78/77/32/857787732.db2.gz	QFEACWZCAADKRE-WBVHZDCISA-N	1	0	369.469	1.687	20	30		FDEDRO
N#Cc1ccc(N(C(=O)C(=O)N2CC[C@@H](C3CC3)C2)[C@@H]2CCC[NH2+]C2)nc1	ZINC000910858738	857788912	/nfs/dbraw/zinc/78/89/12/857788912.db2.gz	UFFMONVXHLBJGX-IAGOWNOFSA-N	1	0	367.453	1.297	20	30		FDEDRO
C#CCN(C(=O)C(=O)N(C)Cc1cccc(C)c1C)C1CC[NH+](C)CC1	ZINC000910886411	857839932	/nfs/dbraw/zinc/83/99/32/857839932.db2.gz	VKAUTRKXZLYDAS-UHFFFAOYSA-N	1	0	355.482	1.818	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1)c1ccncc1	ZINC000911003675	858023516	/nfs/dbraw/zinc/02/35/16/858023516.db2.gz	XGPIKUJKHHPVNW-UPJWGTAASA-N	1	0	356.348	1.163	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccncc2)C[C@H]1C	ZINC001105761100	862979291	/nfs/dbraw/zinc/97/92/91/862979291.db2.gz	HTQJACHMPLIANP-NVXWUHKLSA-N	1	0	357.458	1.141	20	30		FDEDRO
C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CCC(C[NH+]2CCCC2)CC1	ZINC000669332548	862995353	/nfs/dbraw/zinc/99/53/53/862995353.db2.gz	CYTPWMQJYVOEDO-UHFFFAOYSA-N	1	0	370.505	1.962	20	30		FDEDRO
C=C(C)Cn1c(-c2cn(C)nn2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C	ZINC000669333826	862996482	/nfs/dbraw/zinc/99/64/82/862996482.db2.gz	XOQHZNYUDNHKPS-ZBFHGGJFSA-N	1	0	358.494	1.816	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccnc2)C[C@H]1C	ZINC001105764850	863008521	/nfs/dbraw/zinc/00/85/21/863008521.db2.gz	ZRYGOQVXHSAZSG-NVXWUHKLSA-N	1	0	357.458	1.141	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1	ZINC000911332698	858474006	/nfs/dbraw/zinc/47/40/06/858474006.db2.gz	ZVVMYAKSRXEPCQ-GHMZBOCLSA-N	1	0	353.410	1.150	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2	ZINC000911432203	858613984	/nfs/dbraw/zinc/61/39/84/858613984.db2.gz	LXDKCYQWZZSVFN-WIYYLYMNSA-N	1	0	368.481	1.944	20	30		FDEDRO
CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000911528803	858703240	/nfs/dbraw/zinc/70/32/40/858703240.db2.gz	RYWCCTKASMDWJX-KRWDZBQOSA-N	1	0	370.453	1.042	20	30		FDEDRO
C[NH+](C)CCn1nccc1C(=O)NC1(c2cccc(C#N)c2)CCOCC1	ZINC000912515301	859838206	/nfs/dbraw/zinc/83/82/06/859838206.db2.gz	UWMNBHFRFGRKFI-UHFFFAOYSA-N	1	0	367.453	1.752	20	30		FDEDRO
C#CC[C@@]1(C(=O)N(C)CC[N@H+](C)CCO)CCCN1C(=O)OC(C)(C)C	ZINC000912604809	859946309	/nfs/dbraw/zinc/94/63/09/859946309.db2.gz	RAPRUPIAHYTBJB-IBGZPJMESA-N	1	0	367.490	1.162	20	30		FDEDRO
C=CCn1c(-c2cc[nH]n2)nnc1N1CCC(C[NH+]2CCOCC2)CC1	ZINC000669030607	860266504	/nfs/dbraw/zinc/26/65/04/860266504.db2.gz	OWFZEFVYUYIQLH-UHFFFAOYSA-N	1	0	357.462	1.403	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3c(C)cccn3c2)C[C@H]1C	ZINC001106871886	881561850	/nfs/dbraw/zinc/56/18/50/881561850.db2.gz	USRFUALKWXYELE-SJLPKXTDSA-N	1	0	366.465	1.295	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1	ZINC000669036686	860887135	/nfs/dbraw/zinc/88/71/35/860887135.db2.gz	QQQIRQUZFWQETP-IRXDYDNUSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000669039962	860918559	/nfs/dbraw/zinc/91/85/59/860918559.db2.gz	UEYYCQWKGMIYHH-IEBWSBKVSA-N	1	0	373.497	1.722	20	30		FDEDRO
CC(=O)NCC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2Cl)[C@H](C)C1	ZINC001105774249	863066576	/nfs/dbraw/zinc/06/65/76/863066576.db2.gz	LUGRYHRBBLVOKU-RHSMWYFYSA-N	1	0	361.873	1.512	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NN2C(=O)N[C@](CC)(c3ccccc3)C2=O)CC1	ZINC000057137519	863085438	/nfs/dbraw/zinc/08/54/38/863085438.db2.gz	ZIJRDLKZWWVASU-HXUWFJFHSA-N	1	0	368.437	1.220	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2cccc(OCC(=O)N(C)C)c2)CC1	ZINC000057175189	863091202	/nfs/dbraw/zinc/09/12/02/863091202.db2.gz	MHWLVZAAAJHDAO-UHFFFAOYSA-N	1	0	357.454	1.115	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CSC)C[C@H]1C	ZINC001105799703	863244167	/nfs/dbraw/zinc/24/41/67/863244167.db2.gz	SDBQXSIOJOEHEG-BZUAXINKSA-N	1	0	355.548	1.847	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC[C@H](C)O)C1	ZINC001112101592	863303631	/nfs/dbraw/zinc/30/36/31/863303631.db2.gz	UECYVNGYEMDYKJ-BFHYXJOUSA-N	1	0	350.381	1.166	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1C	ZINC001105811277	863333094	/nfs/dbraw/zinc/33/30/94/863333094.db2.gz	UIFKAYQHISCTIV-DGCLKSJQSA-N	1	0	358.280	1.202	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCC(C)C)C[C@H]1C	ZINC001105813613	863342087	/nfs/dbraw/zinc/34/20/87/863342087.db2.gz	VGJBMDAFUZOBJP-OWCLPIDISA-N	1	0	366.506	1.507	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000760890752	863403594	/nfs/dbraw/zinc/40/35/94/863403594.db2.gz	ZFVXLJTVXCTBMR-CYBMUJFWSA-N	1	0	362.478	1.985	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]C[C@H](O)CC(F)(F)F	ZINC001105846115	863474776	/nfs/dbraw/zinc/47/47/76/863474776.db2.gz	IXZDVXSMWKZSTN-IJLUTSLNSA-N	1	0	353.410	1.241	20	30		FDEDRO
CC(C)N(C(=O)C[NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C)C(C)C	ZINC001105846363	863476417	/nfs/dbraw/zinc/47/64/17/863476417.db2.gz	SOAIYERWCVVZMA-HZPDHXFCSA-N	1	0	368.547	1.573	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]Cc1ccc(C(N)=O)cc1	ZINC001105847924	863492068	/nfs/dbraw/zinc/49/20/68/863492068.db2.gz	KTUHNNIYGPIELY-CZUORRHYSA-N	1	0	360.483	1.226	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]Cc1noc2c1CCCC2	ZINC001105847982	863492174	/nfs/dbraw/zinc/49/21/74/863492174.db2.gz	MTCZOJXUJRIYBZ-ZIAGYGMSSA-N	1	0	362.499	1.994	20	30		FDEDRO
CCc1nnc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)CSCC#N)C[C@H]2C)o1	ZINC001105847929	863492242	/nfs/dbraw/zinc/49/22/42/863492242.db2.gz	KXRMMKTWAXJZAU-FRRDWIJNSA-N	1	0	351.476	1.634	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]Cc1cc(CO)ccc1F	ZINC001105847968	863492320	/nfs/dbraw/zinc/49/23/20/863492320.db2.gz	MBILORBWXMJEKR-CZUORRHYSA-N	1	0	365.474	1.759	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]Cc1nc(CC2CC2)no1	ZINC001105848297	863493991	/nfs/dbraw/zinc/49/39/91/863493991.db2.gz	UKISBISTZPCKHV-TZMCWYRMSA-N	1	0	363.487	1.463	20	30		FDEDRO
CCn1c(C)nnc1C[NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C	ZINC001105849378	863496980	/nfs/dbraw/zinc/49/69/80/863496980.db2.gz	RGBFJIKKLUAXID-TZMCWYRMSA-N	1	0	350.492	1.047	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CCCOCC)C[C@H]2C)C1=O	ZINC001105862706	863546207	/nfs/dbraw/zinc/54/62/07/863546207.db2.gz	PXVPDSHSLNHPAP-ZACQAIPSSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccon2)C[C@H]1C	ZINC001105875771	863594923	/nfs/dbraw/zinc/59/49/23/863594923.db2.gz	CSTSTHUULLEJAA-BZUAXINKSA-N	1	0	362.474	1.785	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1NC(=O)/C=C/c1ccc[nH]1	ZINC001212172403	863666841	/nfs/dbraw/zinc/66/68/41/863666841.db2.gz	GJIBMXGRECYFND-TYFAACHXSA-N	1	0	350.422	1.915	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)O1	ZINC001033186134	881695918	/nfs/dbraw/zinc/69/59/18/881695918.db2.gz	UFTUZKSRFVRKFD-AYOQOUSVSA-N	1	0	356.470	1.310	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CCn2nc(C)nc2C)[C@H](C)C1	ZINC001105915010	863972892	/nfs/dbraw/zinc/97/28/92/863972892.db2.gz	OAGYENLZBDGJEY-RVKKMQEKSA-N	1	0	363.506	1.560	20	30		FDEDRO
C=CCN1CC(=O)N(CCC[NH+]2CCN(c3cccc(C)c3)CC2)C1=O	ZINC000761061734	863982314	/nfs/dbraw/zinc/98/23/14/863982314.db2.gz	NKEBUUKWOSFURX-UHFFFAOYSA-N	1	0	356.470	1.957	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NC(C)C)[C@H](C)C1	ZINC001105924902	864041180	/nfs/dbraw/zinc/04/11/80/864041180.db2.gz	ZQAHRSOOZJWOLI-RBSFLKMASA-N	1	0	352.479	1.259	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC001033194006	881727219	/nfs/dbraw/zinc/72/72/19/881727219.db2.gz	IUCVZBBIIMYWKN-MCIONIFRSA-N	1	0	350.381	1.832	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2)[C@H](C)C1	ZINC001105941867	864153053	/nfs/dbraw/zinc/15/30/53/864153053.db2.gz	NXERBYRWLFKLBX-KZNAEPCWSA-N	1	0	362.470	1.313	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2nc3ccccc3c(=O)[nH]2)[C@H](C)C1	ZINC001105943163	864164936	/nfs/dbraw/zinc/16/49/36/864164936.db2.gz	XXWOLLXPNOIOTI-HUUCEWRRSA-N	1	0	370.453	1.722	20	30		FDEDRO
Cc1ccc(CN(C)C(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)o1	ZINC001105952133	864211560	/nfs/dbraw/zinc/21/15/60/864211560.db2.gz	RRFJFUCCYDVKTJ-IIAWOOMASA-N	1	0	360.458	1.390	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C(=O)C(C)(C)C)C[C@H]1C	ZINC001105956972	864224186	/nfs/dbraw/zinc/22/41/86/864224186.db2.gz	QFTKBKQJTPVVPS-HZPDHXFCSA-N	1	0	365.518	1.710	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@H]1C	ZINC001105981135	864325768	/nfs/dbraw/zinc/32/57/68/864325768.db2.gz	PRONRURVTIHKSB-ZYHUDNBSSA-N	1	0	354.248	1.994	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]CCn1cc(Cl)cn1	ZINC001105985461	864347590	/nfs/dbraw/zinc/34/75/90/864347590.db2.gz	LKWOZHQQKYIFRO-TZMCWYRMSA-N	1	0	360.849	1.734	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]Cc2ccn(C)c(=O)c2)[C@H](C)C1	ZINC001105985927	864354467	/nfs/dbraw/zinc/35/44/67/864354467.db2.gz	VDQAXUTXUPTVMT-SJLPKXTDSA-N	1	0	361.486	1.552	20	30		FDEDRO
CC(C)COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC001105989154	864382435	/nfs/dbraw/zinc/38/24/35/864382435.db2.gz	QHCSGMXCTCZLMC-DJIMGWMZSA-N	1	0	362.474	1.218	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1CN([C@@H](C)C(=O)N(C(C)C)C(C)C)C[C@H]1OC	ZINC001212184563	864491056	/nfs/dbraw/zinc/49/10/56/864491056.db2.gz	BHYGCYPMXIGSSA-RCCFBDPRSA-N	1	0	365.518	1.639	20	30		FDEDRO
CC[C@H](SC)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CCC#N)[C@H](C)C1	ZINC001106012536	864645086	/nfs/dbraw/zinc/64/50/86/864645086.db2.gz	KOKKCXXIUYAOTP-OAGGEKHMSA-N	1	0	368.547	1.574	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)n2cncn2)C[C@H]1C	ZINC001106018788	864663796	/nfs/dbraw/zinc/66/37/96/864663796.db2.gz	VWAWCVISSTUKTN-RAIGVLPGSA-N	1	0	356.268	1.432	20	30		FDEDRO
CC[NH+]1CCC(N2CCCN(S(=O)(=O)CC(C)(C)C#N)CC2)CC1	ZINC000916582676	881793086	/nfs/dbraw/zinc/79/30/86/881793086.db2.gz	UCMDBYYOQPBFQM-UHFFFAOYSA-N	1	0	356.536	1.358	20	30		FDEDRO
CCCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC001106020925	864724568	/nfs/dbraw/zinc/72/45/68/864724568.db2.gz	OJDQJZPNWGRCKT-RBSFLKMASA-N	1	0	359.474	1.489	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]CC(=O)NCC(C)(C)C	ZINC001106028539	864870594	/nfs/dbraw/zinc/87/05/94/864870594.db2.gz	YDNDJOUQZZMXBD-UKRRQHHQSA-N	1	0	359.474	1.346	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]C/C=C\c2ccccc2)[C@H](C)C1	ZINC001106029192	864877219	/nfs/dbraw/zinc/87/72/19/864877219.db2.gz	KNYSDLIQACZKPE-OSKOBQJQSA-N	1	0	353.466	1.523	20	30		FDEDRO
CCC(CC)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC001106029428	864881650	/nfs/dbraw/zinc/88/16/50/864881650.db2.gz	QWSQHTYZGUFSHA-UKRRQHHQSA-N	1	0	359.474	1.489	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]CCCc2ccccc2C)[C@H](C)C1	ZINC001106035125	864915365	/nfs/dbraw/zinc/91/53/65/864915365.db2.gz	NQQANWMPRICQSS-UYAOXDASSA-N	1	0	369.509	1.751	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[C@H](C)OC)C[C@H]1C	ZINC001106038430	864942740	/nfs/dbraw/zinc/94/27/40/864942740.db2.gz	QAIDMBRJMFVSFL-IXDOHACOSA-N	1	0	366.506	1.248	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C(=O)NC)c2)[C@@H]1C	ZINC001088868686	865002815	/nfs/dbraw/zinc/00/28/15/865002815.db2.gz	TVWXDOYUWVMQIE-OAOYMFHYSA-N	1	0	371.481	1.716	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCSCC)C2)C1=O	ZINC001111624013	865097678	/nfs/dbraw/zinc/09/76/78/865097678.db2.gz	SBUUUWYVKFMBAO-FCEWJHQRSA-N	1	0	365.543	1.887	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1C	ZINC001106071067	865158310	/nfs/dbraw/zinc/15/83/10/865158310.db2.gz	QUZSRYKVVGOHRK-HZPDHXFCSA-N	1	0	353.507	1.256	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CCc3scnc3C)[C@@H]2C)nn1	ZINC001088907250	865372610	/nfs/dbraw/zinc/37/26/10/865372610.db2.gz	GYTORTRRHPODMW-KGLIPLIRSA-N	1	0	360.487	1.664	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](CC3CC(OCC)C3)[C@@H]2C)nn1	ZINC001088910783	865396475	/nfs/dbraw/zinc/39/64/75/865396475.db2.gz	GTWFXSGYWFYKEG-VXLLPVPCSA-N	1	0	361.490	1.862	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2scnc2C)C[C@@H]1O	ZINC001083848781	881883043	/nfs/dbraw/zinc/88/30/43/881883043.db2.gz	XOMPNUBCRQDBBL-IVSAIRAKSA-N	1	0	365.499	1.484	20	30		FDEDRO
COc1ncc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)cn1	ZINC001088956534	865705108	/nfs/dbraw/zinc/70/51/08/865705108.db2.gz	VPTXMAHPUWWBHW-DYVFJYSZSA-N	1	0	351.410	1.750	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](C[C@@H]2CCCOC2)[C@@H]1C	ZINC001088989913	865946212	/nfs/dbraw/zinc/94/62/12/865946212.db2.gz	VSCIPJDCUGHDPK-RYRKJORJSA-N	1	0	357.454	1.713	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](C[C@H](O)Cn2cccn2)[C@@H]1C	ZINC001089005465	866003809	/nfs/dbraw/zinc/00/38/09/866003809.db2.gz	JRBMYCSBMUBISA-UXPWSPDFSA-N	1	0	366.465	1.047	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3ccc(OC)cc3)[C@H]2C)C1=O	ZINC001089000888	866013899	/nfs/dbraw/zinc/01/38/99/866013899.db2.gz	CYEZGWZXBNAGDT-AYOQOUSVSA-N	1	0	371.481	1.604	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](C[C@H]2CCNC(=O)CC2)[C@@H]1C	ZINC001089006686	866050758	/nfs/dbraw/zinc/05/07/58/866050758.db2.gz	SDIFFDCOAUIJIO-HLIPFELVSA-N	1	0	367.493	1.706	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1OC	ZINC001212194654	866178023	/nfs/dbraw/zinc/17/80/23/866178023.db2.gz	VWNVTNNRNMEBIO-NFAWXSAZSA-N	1	0	368.396	1.098	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3nncn3C2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001089057869	866411660	/nfs/dbraw/zinc/41/16/60/866411660.db2.gz	QTAVJVQRPKVNCR-JLSDUUJJSA-N	1	0	364.453	1.491	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1	ZINC000916666550	882024111	/nfs/dbraw/zinc/02/41/11/882024111.db2.gz	RSRSRGNNIYDIQA-CVEARBPZSA-N	1	0	363.483	1.175	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1	ZINC000992029158	867263194	/nfs/dbraw/zinc/26/31/94/867263194.db2.gz	RQRBYQDPRZSOMG-KSZLIROESA-N	1	0	363.502	1.558	20	30		FDEDRO
N#Cc1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N3CCCC3)C2)c[nH]1	ZINC001112311330	867622451	/nfs/dbraw/zinc/62/24/51/867622451.db2.gz	HSJHFDNMROGNCX-JXFKEZNVSA-N	1	0	369.469	1.341	20	30		FDEDRO
C=CCn1c(COC)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000669810246	867629534	/nfs/dbraw/zinc/62/95/34/867629534.db2.gz	DORZXCQKTKNBJB-CALCHBBNSA-N	1	0	362.522	1.605	20	30		FDEDRO
CO[C@@]1(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CCOC1	ZINC000462355911	867942372	/nfs/dbraw/zinc/94/23/72/867942372.db2.gz	HAGWVZJQTOPTNI-LJQANCHMSA-N	1	0	360.458	1.437	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1ccn(C)c(=O)c1)CC2	ZINC000992183756	868209360	/nfs/dbraw/zinc/20/93/60/868209360.db2.gz	UQJUSASYMFSGSQ-BMQTXXJKSA-N	1	0	371.481	1.590	20	30		FDEDRO
Cc1csc(=O)n1CC[NH2+]C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C	ZINC001106109205	868295148	/nfs/dbraw/zinc/29/51/48/868295148.db2.gz	FLPLZXXGFLTNFJ-GDBMZVCRSA-N	1	0	363.527	1.952	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C)c1nnnn1C1CC1	ZINC001106109504	868300464	/nfs/dbraw/zinc/30/04/64/868300464.db2.gz	JUSZBDBHGYEPOZ-QLFBSQMISA-N	1	0	358.490	1.803	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C[NH2+]Cc1cn(CC2CC2)nn1	ZINC001106109781	868313535	/nfs/dbraw/zinc/31/35/35/868313535.db2.gz	UPODIWSVDCKFAX-NVXWUHKLSA-N	1	0	357.502	1.922	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nc(C(F)F)no2)[C@H](C)C1	ZINC001106111227	868388894	/nfs/dbraw/zinc/38/88/94/868388894.db2.gz	JFGOUSBDAKUVBW-GRYCIOLGSA-N	1	0	356.373	1.230	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(OCC)s2)[C@H](C)C1	ZINC001106116672	868579193	/nfs/dbraw/zinc/57/91/93/868579193.db2.gz	KPQBOTQGHDYJJH-MGPQQGTHSA-N	1	0	366.487	1.159	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2nc(CC3CC3)no2)[C@H](C)C1	ZINC001106117341	868593802	/nfs/dbraw/zinc/59/38/02/868593802.db2.gz	MSVRXARYFVSIIL-GDBMZVCRSA-N	1	0	360.458	1.246	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NCCC(C)C)[C@H](C)C1	ZINC001106117488	868597003	/nfs/dbraw/zinc/59/70/03/868597003.db2.gz	ROIGVCNHSXFVQM-KZNAEPCWSA-N	1	0	365.518	1.261	20	30		FDEDRO
C=CCCOCCCCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)COC)[C@H](C)C1	ZINC001106122881	868880620	/nfs/dbraw/zinc/88/06/20/868880620.db2.gz	HFGKQWDMMHIPOC-KURKYZTESA-N	1	0	356.507	1.441	20	30		FDEDRO
C=CCCOCCCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)N(C)C)[C@H](C)C1	ZINC001106124714	868922104	/nfs/dbraw/zinc/92/21/04/868922104.db2.gz	ZWFUEZBYBMARLM-KZNAEPCWSA-N	1	0	367.534	1.910	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@]3(CNC(=O)C3)C2)c(OC)c1	ZINC000464799977	869018108	/nfs/dbraw/zinc/01/81/08/869018108.db2.gz	UJOSARFZMJEKGN-UWJYYQICSA-N	1	0	374.481	1.766	20	30		FDEDRO
CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000464806855	869030398	/nfs/dbraw/zinc/03/03/98/869030398.db2.gz	GKXQQTPMTOBUGR-HUUCEWRRSA-N	1	0	359.478	1.299	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(CC(C)C)n2)C[C@H]1C	ZINC001106131004	869291077	/nfs/dbraw/zinc/29/10/77/869291077.db2.gz	IYZMKPXGPDMKLU-HUUCEWRRSA-N	1	0	361.490	1.208	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccc(C#N)cc1	ZINC000491516762	869344988	/nfs/dbraw/zinc/34/49/88/869344988.db2.gz	WWHXSXDBOJDNRD-INIZCTEOSA-N	1	0	369.469	1.569	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)CC1	ZINC000913873758	869872981	/nfs/dbraw/zinc/87/29/81/869872981.db2.gz	RRNDBZRMNRTMOW-HXUWFJFHSA-N	1	0	370.497	1.284	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1	ZINC000913957998	870129930	/nfs/dbraw/zinc/12/99/30/870129930.db2.gz	AIJBQVYQTVZBRX-AWEZNQCLSA-N	1	0	363.483	1.548	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(CCOCC)CCC2)C[C@H]1C	ZINC001106139097	870791320	/nfs/dbraw/zinc/79/13/20/870791320.db2.gz	NIVTZLWMOWTNCY-IAGOWNOFSA-N	1	0	365.518	1.570	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc3c(c2)nnn3C)C1	ZINC001033432556	882471373	/nfs/dbraw/zinc/47/13/73/882471373.db2.gz	PINACGPOBNOUGF-FCEWJHQRSA-N	1	0	369.469	1.592	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)/C=C\c2ccco2)[C@@H](n2ccnn2)C1	ZINC001128642150	882478724	/nfs/dbraw/zinc/47/87/24/882478724.db2.gz	ISSYMJYBYACRHY-DJAVDHGHSA-N	1	0	357.414	1.129	20	30		FDEDRO
C#CCN(C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1)C1CC[NH+](C)CC1	ZINC000914158307	871164287	/nfs/dbraw/zinc/16/42/87/871164287.db2.gz	MOOVZBLOPKAQBK-AWEZNQCLSA-N	1	0	360.424	1.610	20	30		FDEDRO
CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC001033428184	882501922	/nfs/dbraw/zinc/50/19/22/882501922.db2.gz	QHTLIZJQNNRCRT-SQNIBIBYSA-N	1	0	354.454	1.493	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCC2)[C@H](C)C1	ZINC001106146940	871401678	/nfs/dbraw/zinc/40/16/78/871401678.db2.gz	OUVHKMQNKBWKFR-TVFCKZIOSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc3nonc3c2)C1	ZINC001033431829	882514611	/nfs/dbraw/zinc/51/46/11/882514611.db2.gz	IXJDYKLJAAMODJ-RKVPGOIHSA-N	1	0	356.426	1.847	20	30		FDEDRO
CCC(=O)N[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1	ZINC001106164847	871503256	/nfs/dbraw/zinc/50/32/56/871503256.db2.gz	VUHFZOCYOABSSK-IIDMSEBBSA-N	1	0	356.470	1.657	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CCC[C@H](C)O)C[C@H]2OC)cc1	ZINC001212472000	871510886	/nfs/dbraw/zinc/51/08/86/871510886.db2.gz	HQLIOLRZGHEGLS-KFKAGJAMSA-N	1	0	362.470	1.841	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCCN2C(=O)CC)C[C@H]1C	ZINC001106163303	871514918	/nfs/dbraw/zinc/51/49/18/871514918.db2.gz	QWWBASACKAHFMW-KZNAEPCWSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1	ZINC001106177303	871611093	/nfs/dbraw/zinc/61/10/93/871611093.db2.gz	WKWNZLRFDXXJNO-DGCLKSJQSA-N	1	0	350.912	1.494	20	30		FDEDRO
CCOC(=O)N1CCC([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000009513317	871916118	/nfs/dbraw/zinc/91/61/18/871916118.db2.gz	MIQMHBRCKXIQEP-QGZVFWFLSA-N	1	0	361.442	1.703	20	30		FDEDRO
C#CCN(C(=O)NCCNC(=O)c1ccc(OC)cc1)C1CC[NH+](C)CC1	ZINC000914246517	872029191	/nfs/dbraw/zinc/02/91/91/872029191.db2.gz	GICYSVCETWLXKE-UHFFFAOYSA-N	1	0	372.469	1.164	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)Cc1csc(C#N)c1	ZINC000914275365	872158898	/nfs/dbraw/zinc/15/88/98/872158898.db2.gz	NVCVXFWOYOAFMV-FVQBIDKESA-N	1	0	369.512	1.633	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2C)cc1	ZINC000994401669	882603370	/nfs/dbraw/zinc/60/33/70/882603370.db2.gz	KBQRUXNQMPKHKH-LZQZEXGQSA-N	1	0	353.466	1.586	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccc(N3CCOCC3)cc2)CC1	ZINC000914334991	872368560	/nfs/dbraw/zinc/36/85/60/872368560.db2.gz	BEFPMOLXHXYNMK-UHFFFAOYSA-N	1	0	356.470	1.420	20	30		FDEDRO
C#CC[C@@H](CO)[NH2+]Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000922141717	872408805	/nfs/dbraw/zinc/40/88/05/872408805.db2.gz	XRWCSPHTDIIYIQ-LSDHHAIUSA-N	1	0	363.462	1.324	20	30		FDEDRO
CC(C)[C@H](C(=O)N1C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@]2(C)C1)[NH+](C)C	ZINC000992815168	872512409	/nfs/dbraw/zinc/51/24/09/872512409.db2.gz	IKBVDYAVIBTRCR-XAUMDUMWSA-N	1	0	371.485	1.393	20	30		FDEDRO
C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)Cc1csc(C#N)c1	ZINC000914387906	872646027	/nfs/dbraw/zinc/64/60/27/872646027.db2.gz	IXWZVNTVVJCBEI-CYBMUJFWSA-N	1	0	356.517	1.065	20	30		FDEDRO
C#CCN(C(=O)NCc1nc(Cc2ccccc2)no1)C1CC[NH+](C)CC1	ZINC000914415136	872778610	/nfs/dbraw/zinc/77/86/10/872778610.db2.gz	KUGNSYQWJAEKOA-UHFFFAOYSA-N	1	0	367.453	1.899	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)[C@]34C[C@H]3CCC4)[C@H](C)C2)CC1	ZINC000994426064	882670598	/nfs/dbraw/zinc/67/05/98/882670598.db2.gz	WGWQRNOEKNPMTC-WGQQHEPDSA-N	1	0	371.525	1.733	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)nnc2C)C[C@H]1C	ZINC001106181085	873017902	/nfs/dbraw/zinc/01/79/02/873017902.db2.gz	HJOALRNHKWGUJW-DAXOMENPSA-N	1	0	359.474	1.082	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C[NH2+]C[C@H](C)CS(C)(=O)=O)[C@H](C)C1	ZINC001106181787	873021925	/nfs/dbraw/zinc/02/19/25/873021925.db2.gz	WQOJXFJBJROJBD-ARFHVFGLSA-N	1	0	358.548	1.954	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccoc2C(F)(F)F)C[C@H]1C	ZINC001106181869	873023230	/nfs/dbraw/zinc/02/32/30/873023230.db2.gz	ZEAMGPOGNMTURT-VXGBXAGGSA-N	1	0	371.359	1.346	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCOCC)[C@H](C)C1	ZINC001106183906	873084272	/nfs/dbraw/zinc/08/42/72/873084272.db2.gz	VDQRZSDHQJLKLU-HZPDHXFCSA-N	1	0	353.507	1.426	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N2C[C@H]3CN(C(=O)C#CC4CC4)C[C@@]3(C)C2)CC1	ZINC000992909353	873179714	/nfs/dbraw/zinc/17/97/14/873179714.db2.gz	MZTJXGXBIMOVNS-NQIIRXRSSA-N	1	0	357.498	1.439	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CCOCC2)CC1	ZINC001003365248	873212985	/nfs/dbraw/zinc/21/29/85/873212985.db2.gz	JSDJQITWFSWSPP-QRVBRYPASA-N	1	0	373.497	1.006	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc[nH]c2C)CC1	ZINC001003362693	873215629	/nfs/dbraw/zinc/21/56/29/873215629.db2.gz	FBHLHFMFWSATCQ-QRQLOZEOSA-N	1	0	368.481	1.530	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccccc2)CC1	ZINC001003362910	873215990	/nfs/dbraw/zinc/21/59/90/873215990.db2.gz	HOZAOBQYYNVUCE-AQNXPRMDSA-N	1	0	365.477	1.894	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccn(C)c2)CC1	ZINC001003363514	873216822	/nfs/dbraw/zinc/21/68/22/873216822.db2.gz	QIRPFUFRWJPKHV-QRVBRYPASA-N	1	0	368.481	1.232	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cccnc2)CC1	ZINC001003363793	873218150	/nfs/dbraw/zinc/21/81/50/873218150.db2.gz	UZZAYNORLMJIOW-QRVBRYPASA-N	1	0	366.465	1.289	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2(C)CC(=C)C2)CC1	ZINC001003365297	873218966	/nfs/dbraw/zinc/21/89/66/873218966.db2.gz	KPOGCVNBHLMDAO-QRVBRYPASA-N	1	0	369.509	1.936	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2cccnc2)[C@H](C)C1	ZINC001106189932	873241315	/nfs/dbraw/zinc/24/13/15/873241315.db2.gz	KWNIWDFHWQEZMS-SJLPKXTDSA-N	1	0	358.486	1.738	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc[nH]c2)CC1	ZINC001003365862	873244898	/nfs/dbraw/zinc/24/48/98/873244898.db2.gz	QEUHHQFWMPKMHB-KURKYZTESA-N	1	0	354.454	1.222	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+]CC[C@@H]2CCS(=O)(=O)C2)[C@H](C)C1	ZINC001106193873	873276244	/nfs/dbraw/zinc/27/62/44/873276244.db2.gz	WUHWXSXHGDEPNR-BRWVUGGUSA-N	1	0	356.532	1.852	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@]3(C)C2)C1	ZINC000992991898	873554257	/nfs/dbraw/zinc/55/42/57/873554257.db2.gz	AAMJRAPPYSWMCK-KYFSNAEOSA-N	1	0	359.514	1.990	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](C[NH2+]CCNC(=O)C2CC2)[C@H](C)C1)OCC	ZINC001106198753	873607443	/nfs/dbraw/zinc/60/74/43/873607443.db2.gz	MXGRUWMMBBEWOG-KBAYOESNSA-N	1	0	365.518	1.568	20	30		FDEDRO
C[N@H+](CC(=O)N1C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@]2(C)C1)C1CCC1	ZINC000993040452	873851103	/nfs/dbraw/zinc/85/11/03/873851103.db2.gz	OFAMAGQFFVKZIE-VBKZILBWSA-N	1	0	369.469	1.291	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000761662239	873883247	/nfs/dbraw/zinc/88/32/47/873883247.db2.gz	BBFQNSDCCJDQFX-CVEARBPZSA-N	1	0	362.405	1.791	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCC(F)(F)C2)C[C@H]1C	ZINC001106225786	873971165	/nfs/dbraw/zinc/97/11/65/873971165.db2.gz	HGLOFIFRZPKPBN-RBSFLKMASA-N	1	0	357.445	1.798	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]CC[C@@H]3CCOC3)[C@H](C)C2)CCOCC1	ZINC001106234830	874044127	/nfs/dbraw/zinc/04/41/27/874044127.db2.gz	DLBCLFMWHJCBSE-GUDVDZBRSA-N	1	0	362.514	1.917	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H](OCC)C(C)C)C[C@H]1C	ZINC001106248834	874117974	/nfs/dbraw/zinc/11/79/74/874117974.db2.gz	ZQLJTTQPHCTVFZ-ZACQAIPSSA-N	1	0	353.507	1.424	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@]2(C)C1	ZINC000993070728	874137289	/nfs/dbraw/zinc/13/72/89/874137289.db2.gz	WINNXPYRIBWZJE-MDZRGWNJSA-N	1	0	358.486	1.329	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnc3ccccc3n2)C[C@H]1C	ZINC001106252225	874144755	/nfs/dbraw/zinc/14/47/55/874144755.db2.gz	HEDGAHOPJKEGKO-HZPDHXFCSA-N	1	0	352.438	1.577	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]CCn2nc(C)nc2C)[C@H](C)C1	ZINC001106252472	874144811	/nfs/dbraw/zinc/14/48/11/874144811.db2.gz	OPWOYXPFZKRLBN-CRAIPNDOSA-N	1	0	370.501	1.880	20	30		FDEDRO
CN(C)CC(=O)Nc1ccc(NC(=O)C#Cc2ccc3c(c2)OCO3)cc1	ZINC000761752085	874183791	/nfs/dbraw/zinc/18/37/91/874183791.db2.gz	OGBGIWCQWUHTNZ-UHFFFAOYSA-N	1	0	365.389	1.906	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(Cc3ccccc3)CC2)C[C@H]1C	ZINC001106263706	874240564	/nfs/dbraw/zinc/24/05/64/874240564.db2.gz	IKLOPCLVZZVTFJ-IEBWSBKVSA-N	1	0	369.509	1.996	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC(C)C)n2ccnc2)C[C@H]1C	ZINC001106291720	874540922	/nfs/dbraw/zinc/54/09/22/874540922.db2.gz	JCBVMTJDADMUTO-GUDVDZBRSA-N	1	0	360.502	1.804	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(C(N)=O)nc2)C[C@H]1C	ZINC001106318580	874768329	/nfs/dbraw/zinc/76/83/29/874768329.db2.gz	IHEKDLGSNHXRFG-BXUZGUMPSA-N	1	0	350.850	1.160	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH]ccc-3n2)C[C@H]1C	ZINC001106318541	874768692	/nfs/dbraw/zinc/76/86/92/874768692.db2.gz	HDLFPLCKLTWETC-IIAWOOMASA-N	1	0	369.469	1.551	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1)S(C)(=O)=O	ZINC001106324470	874782172	/nfs/dbraw/zinc/78/21/72/874782172.db2.gz	RDEBPISKAPCQQN-JFIYKMOQSA-N	1	0	362.495	1.155	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2OCC=C)C[C@H]1C	ZINC001106331228	874804798	/nfs/dbraw/zinc/80/47/98/874804798.db2.gz	SIJVDALUVHUJCQ-IAGOWNOFSA-N	1	0	369.465	1.299	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccnc2C2CC2)C[C@H]1C	ZINC001106376064	874969250	/nfs/dbraw/zinc/96/92/50/874969250.db2.gz	SKDICZNLTYEKGC-BFYDXBDKSA-N	1	0	370.497	1.947	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccnc(C3CC3)c2)C[C@H]1C	ZINC001106379133	874992905	/nfs/dbraw/zinc/99/29/05/874992905.db2.gz	ABMORZBRQPEXRO-RVKKMQEKSA-N	1	0	370.497	1.947	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1C	ZINC001106386465	875036225	/nfs/dbraw/zinc/03/62/25/875036225.db2.gz	DHMOBJYHKNZDDS-HZPDHXFCSA-N	1	0	362.474	1.379	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C)c(OC)c2)C[C@H]1C	ZINC001106394651	875085114	/nfs/dbraw/zinc/08/51/14/875085114.db2.gz	GFCHCCBARPIGQR-NVXWUHKLSA-N	1	0	359.470	1.604	20	30		FDEDRO
N#Cc1cc(CN2C[C@@H](NC(=O)CC3=CCOCC3)[C@@H](O)C2)ccc1F	ZINC001083753932	882908867	/nfs/dbraw/zinc/90/88/67/882908867.db2.gz	REWAMKXGXJNZOD-MSOLQXFVSA-N	1	0	359.401	1.095	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C	ZINC001106449057	875337887	/nfs/dbraw/zinc/33/78/87/875337887.db2.gz	UAGSSYFGAOVTLT-NGFQHRJXSA-N	1	0	357.882	1.236	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2sc(C)nc2C)C[C@H]1C	ZINC001106453568	875388866	/nfs/dbraw/zinc/38/88/66/875388866.db2.gz	OUNOLAIHVAEWQT-IUODEOHRSA-N	1	0	364.515	1.289	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C	ZINC001106455191	875398943	/nfs/dbraw/zinc/39/89/43/875398943.db2.gz	FBDASOSMRKOGJV-HCBQETRLSA-N	1	0	353.894	1.286	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cnnn3)cn2)C[C@H]1C	ZINC001106468313	875532074	/nfs/dbraw/zinc/53/20/74/875532074.db2.gz	KYOBISKQOSEJHE-HUUCEWRRSA-N	1	0	355.446	1.321	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2occ3c2CCC3)C[C@H]1C	ZINC001106479871	875606633	/nfs/dbraw/zinc/60/66/33/875606633.db2.gz	VKYQQQOEZNDQAD-IIAWOOMASA-N	1	0	357.454	1.204	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C[C@H]1C	ZINC001106481543	875618734	/nfs/dbraw/zinc/61/87/34/875618734.db2.gz	ULMFFPHDRCFOAJ-BQDHKBFISA-N	1	0	357.882	1.059	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC)C2)cc1	ZINC001112542666	882954044	/nfs/dbraw/zinc/95/40/44/882954044.db2.gz	LBNGSYRSGBZREN-UWJYYQICSA-N	1	0	369.465	1.277	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)C[C@H]1C	ZINC001106499057	875717022	/nfs/dbraw/zinc/71/70/22/875717022.db2.gz	YNGBYUNBNXCPPV-UKRRQHHQSA-N	1	0	362.474	1.779	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCO3)C[C@H]1C	ZINC001106498881	875735159	/nfs/dbraw/zinc/73/51/59/875735159.db2.gz	VHMAEBMVSFMTIP-VQIMIIECSA-N	1	0	356.466	1.498	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2OCCc3ccccc32)C[C@H]1C	ZINC001106510011	875773299	/nfs/dbraw/zinc/77/32/99/875773299.db2.gz	XAROIRCFGYISFJ-YVWKXTFCSA-N	1	0	356.466	1.634	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C#C)cc2)C[C@H]1C	ZINC001106512698	875800216	/nfs/dbraw/zinc/80/02/16/875800216.db2.gz	SKGBDEJRDRZUDP-GPMSIDNRSA-N	1	0	351.450	1.104	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCN2CCCS2(=O)=O)[C@H](C)C1	ZINC001106517435	875811833	/nfs/dbraw/zinc/81/18/33/875811833.db2.gz	FCMSSWIOVRVWCD-HZPDHXFCSA-N	1	0	371.547	1.308	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCOC)[C@H](C)C1	ZINC001106517425	875811947	/nfs/dbraw/zinc/81/19/47/875811947.db2.gz	DRSPZWMOGATDQS-HZPDHXFCSA-N	1	0	353.507	1.426	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnc3ccsc3c2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106521625	875840811	/nfs/dbraw/zinc/84/08/11/875840811.db2.gz	UXVQYNONEWFKBZ-TZMCWYRMSA-N	1	0	371.466	1.234	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@@H]2CCCO2)[C@H](C)C1	ZINC001106527058	875844983	/nfs/dbraw/zinc/84/49/83/875844983.db2.gz	GOHGUTVPSUUERF-OAGGEKHMSA-N	1	0	351.491	1.178	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NCC(F)(F)F)[C@H](C)C1	ZINC001106531081	875864270	/nfs/dbraw/zinc/86/42/70/875864270.db2.gz	TURIQVOZOCOXRR-FRRDWIJNSA-N	1	0	363.424	1.950	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC(C)(C)C)[C@H](C)C1	ZINC001106528943	875873784	/nfs/dbraw/zinc/87/37/84/875873784.db2.gz	JQDKMZIHGZGIBC-ZIAGYGMSSA-N	1	0	366.506	1.507	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2nncs2)[C@H](C)C1	ZINC001106559509	875966466	/nfs/dbraw/zinc/96/64/66/875966466.db2.gz	XUSPASFIMSWRKJ-ZIAGYGMSSA-N	1	0	363.487	1.354	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](C[NH2+]Cc2nnc3n2CCOC3)[C@H](C)C1	ZINC001106567965	875978249	/nfs/dbraw/zinc/97/82/49/875978249.db2.gz	YYRQHUKWAOOYQM-BZUAXINKSA-N	1	0	361.490	1.595	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccn(CC)c2C)C[C@H]1C	ZINC001106571360	875985259	/nfs/dbraw/zinc/98/52/59/875985259.db2.gz	WRJPIWGBYROKGV-HLLBOEOZSA-N	1	0	360.502	1.805	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2csc(C)n2)C[C@H]1C	ZINC001106577216	876015792	/nfs/dbraw/zinc/01/57/92/876015792.db2.gz	DYTBZSBYOIUTMX-YRGRVCCFSA-N	1	0	350.488	1.440	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2cnc(C)n2C)C[C@H]1C	ZINC001106583170	876031935	/nfs/dbraw/zinc/03/19/35/876031935.db2.gz	OHERYIVQRSSVQO-ZWNOBZJWSA-N	1	0	355.280	1.935	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3cccnc32)C[C@H]1C	ZINC001106588132	876042358	/nfs/dbraw/zinc/04/23/58/876042358.db2.gz	GTUNINNCAOOCMF-OIISXLGYSA-N	1	0	356.470	1.098	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](OC)C(C)C)C[C@H]1C	ZINC001106625457	876258728	/nfs/dbraw/zinc/25/87/28/876258728.db2.gz	MEIDCQHEUUTAHB-ZHALLVOQSA-N	1	0	367.534	1.766	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](OC)C(C)C)C[C@H]1C	ZINC001106625589	876259495	/nfs/dbraw/zinc/25/94/95/876259495.db2.gz	QELBKMUXPYSHBC-JFIYKMOQSA-N	1	0	366.506	1.104	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C[NH2+]C[C@H](O)COCCOC)[C@H](C)C2)CC1	ZINC001106628882	876274006	/nfs/dbraw/zinc/27/40/06/876274006.db2.gz	YVFFSNBVRZGMOX-QRQLOZEOSA-N	1	0	368.518	1.441	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]CC[C@@H]3CCS(=O)(=O)C3)[C@H](C)C2)C1	ZINC001106647749	876383332	/nfs/dbraw/zinc/38/33/32/876383332.db2.gz	USDXTXOGSZAGNT-BRWVUGGUSA-N	1	0	368.543	1.852	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cc(-n3cccn3)ccn2)C[C@H]1C	ZINC001106658829	876445879	/nfs/dbraw/zinc/44/58/79/876445879.db2.gz	PWRGDYFOYOVTBG-IAGOWNOFSA-N	1	0	369.469	1.768	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccn(C)c2CC)C[C@H]1C	ZINC001106666299	876475680	/nfs/dbraw/zinc/47/56/80/876475680.db2.gz	JOQFRVUQXCOMRB-BZUAXINKSA-N	1	0	358.486	1.023	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C(C)C)nc2C)C[C@H]1C	ZINC001106673093	876519980	/nfs/dbraw/zinc/51/99/80/876519980.db2.gz	BPKGQBJYRCNXME-NVXWUHKLSA-N	1	0	370.497	1.561	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCCC2)[C@H](C)C1	ZINC001106680731	876548885	/nfs/dbraw/zinc/54/88/85/876548885.db2.gz	GBTLOMPQGKGUDQ-TVFCKZIOSA-N	1	0	363.502	1.274	20	30		FDEDRO
Cc1ccccc1CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106697270	876597886	/nfs/dbraw/zinc/59/78/86/876597886.db2.gz	RRHHDDNBUZVLOD-SJLPKXTDSA-N	1	0	356.470	1.252	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3cnccc3n2)C[C@H]1C	ZINC001106698641	876605708	/nfs/dbraw/zinc/60/57/08/876605708.db2.gz	KEMXKZQIWANCNV-GDBMZVCRSA-N	1	0	367.453	1.230	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCC2CCOCC2)C[C@H]1C	ZINC001106727694	876999297	/nfs/dbraw/zinc/99/92/97/876999297.db2.gz	QTXLMXMJWGBUHX-JFIYKMOQSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)c2cccnc2)C[C@H]1C	ZINC001106727430	877003113	/nfs/dbraw/zinc/00/31/13/877003113.db2.gz	MEFXGYBJTCNEIZ-JFIYKMOQSA-N	1	0	358.486	1.562	20	30		FDEDRO
Cc1nnsc1CN[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C(F)(F)F	ZINC001099250048	877008355	/nfs/dbraw/zinc/00/83/55/877008355.db2.gz	VIBRVLUYVZBAAA-VXGBXAGGSA-N	1	0	358.389	1.739	20	30		FDEDRO
C#CCN(C(=O)NC1CCN(C(=O)CC(C)C)CC1)C1CC[NH+](C)CC1	ZINC000915687447	877208260	/nfs/dbraw/zinc/20/82/60/877208260.db2.gz	VSLXKEHSXCPXLD-UHFFFAOYSA-N	1	0	362.518	1.763	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2sc(N(C)C)nc2C)C[C@H]1C	ZINC001106736702	877321164	/nfs/dbraw/zinc/32/11/64/877321164.db2.gz	QLUCDTJBMCFYLN-UKRRQHHQSA-N	1	0	364.515	1.465	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2F)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106747250	877443133	/nfs/dbraw/zinc/44/31/33/877443133.db2.gz	OCULJUXKXHJOHI-TXCZRRACSA-N	1	0	372.444	1.253	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@@]2(C)C1	ZINC000993346838	877460877	/nfs/dbraw/zinc/46/08/77/877460877.db2.gz	ABFVNNRPCQTLTJ-ZUEVXXBESA-N	1	0	358.442	1.421	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c(C)noc2Cl)C[C@H]1C	ZINC001106760975	877612682	/nfs/dbraw/zinc/61/26/82/877612682.db2.gz	CMYOHDZUIJUSBY-DGCLKSJQSA-N	1	0	368.865	1.165	20	30		FDEDRO
CO[C@H]1C[C@@H](C[NH2+]Cc2csc(C#N)c2)N(c2cc(N(C)C)ncn2)C1	ZINC000922323622	877614891	/nfs/dbraw/zinc/61/48/91/877614891.db2.gz	TYOHMSIUUOYSJL-GJZGRUSLSA-N	1	0	372.498	1.859	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C[NH2+]CC#Cc1ccc(Cl)cc1	ZINC001106761469	877615616	/nfs/dbraw/zinc/61/56/16/877615616.db2.gz	MXSSQTHTUAQECN-GDBMZVCRSA-N	1	0	371.872	1.818	20	30		FDEDRO
Cc1onc(CC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1C#N	ZINC000499764457	877641372	/nfs/dbraw/zinc/64/13/72/877641372.db2.gz	GYJNMRAXXQTJKB-UHFFFAOYSA-N	1	0	351.410	1.859	20	30		FDEDRO
CN(CCCC[NH+]1CCCCC1)C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000922329034	877649491	/nfs/dbraw/zinc/64/94/91/877649491.db2.gz	PPXSODRQXQFDDK-VHEBQXMUSA-N	1	0	362.474	1.627	20	30		FDEDRO
C[N@H+](CCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1CC1	ZINC000272503284	877697449	/nfs/dbraw/zinc/69/74/49/877697449.db2.gz	GYMSXIAUTUINPB-QGZVFWFLSA-N	1	0	355.442	1.447	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cn2ncc3ccccc32)C[C@H]1C	ZINC001106772027	877714229	/nfs/dbraw/zinc/71/42/29/877714229.db2.gz	GLNSKAYURDQTHT-SJLPKXTDSA-N	1	0	356.470	1.923	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2c[nH]nc2-c2cccnc2)C[C@H]1C	ZINC001106771918	877714355	/nfs/dbraw/zinc/71/43/55/877714355.db2.gz	FKGBEMVDYWEXGP-NVXWUHKLSA-N	1	0	369.469	1.972	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccnc(C)c2)C[C@H]1C	ZINC001106783352	877823988	/nfs/dbraw/zinc/82/39/88/877823988.db2.gz	NPLJDTCFBSLVSZ-VQIMIIECSA-N	1	0	370.497	1.888	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cn(C[C@H]3CCOC3)nn2)C[C@H]1C	ZINC001106815436	878233394	/nfs/dbraw/zinc/23/33/94/878233394.db2.gz	CVVOFSXJPZCKDC-BRWVUGGUSA-N	1	0	361.490	1.579	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC001032678593	912372159	/nfs/dbraw/zinc/37/21/59/912372159.db2.gz	ZEUNMWPWHRPBFS-CGBFIWBNSA-N	1	0	368.481	1.852	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1C[C@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O	ZINC000922719485	879093849	/nfs/dbraw/zinc/09/38/49/879093849.db2.gz	HQWDBTOGLOTDCL-WRPWXNSMSA-N	1	0	351.491	1.499	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)CC1	ZINC000922761990	879203480	/nfs/dbraw/zinc/20/34/80/879203480.db2.gz	DWORILYIJODKDY-FGTMMUONSA-N	1	0	373.501	1.777	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C3)cn1	ZINC001004369238	879273372	/nfs/dbraw/zinc/27/33/72/879273372.db2.gz	QGWUOXDOYLTOIG-PIKADFDJSA-N	1	0	366.465	1.266	20	30		FDEDRO
Cc1cc(C=N[S@@](=O)C(C)(C)C)cc(NC(=[NH2+])N2CCN(C)CC2)n1	ZINC001168735983	879557333	/nfs/dbraw/zinc/55/73/33/879557333.db2.gz	JGDPAFVJUNHFIZ-OOZHPRAUSA-N	1	0	364.519	1.865	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc3cccnc3s2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106833368	879728286	/nfs/dbraw/zinc/72/82/86/879728286.db2.gz	BYTXGHGDTUPOQF-TZMCWYRMSA-N	1	0	371.466	1.234	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C)cc3C)C[C@@H]2O)nn1	ZINC001083843678	879961780	/nfs/dbraw/zinc/96/17/80/879961780.db2.gz	SYZKFVIAABNTLX-AEFFLSMTSA-N	1	0	355.442	1.056	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2csc(Cl)n2)C[C@H]1C	ZINC001106838317	880230802	/nfs/dbraw/zinc/23/08/02/880230802.db2.gz	RFMFRNTUJMQPCR-IJLUTSLNSA-N	1	0	368.890	1.232	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3cnccc3c2)C[C@H]1C	ZINC001106840066	880439598	/nfs/dbraw/zinc/43/95/98/880439598.db2.gz	WIYXFQZBXSVNIZ-DNVCBOLYSA-N	1	0	364.449	1.282	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)C[C@@H]3C=CCC3)C[C@H]2C)CC1	ZINC000994133386	880730966	/nfs/dbraw/zinc/73/09/66/880730966.db2.gz	BDFHBJUJSXYYMF-QWFCFKBJSA-N	1	0	371.525	1.899	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)C3(C)CC=CC3)C[C@H]2C)CC1	ZINC000994140278	880909976	/nfs/dbraw/zinc/90/99/76/880909976.db2.gz	OPEAGJSNSGVNPP-IEBWSBKVSA-N	1	0	371.525	1.899	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(Cn3ccnn3)o2)C[C@H]1C(F)(F)F	ZINC001099283902	881067561	/nfs/dbraw/zinc/06/75/61/881067561.db2.gz	MHQDYLNRKYTSOY-CHWSQXEVSA-N	1	0	369.347	1.698	20	30		FDEDRO
CCn1ncc(C(=O)N2C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C2)c1C1CC1	ZINC001106859065	881141483	/nfs/dbraw/zinc/14/14/83/881141483.db2.gz	WXNARZMUCWTXML-NVXWUHKLSA-N	1	0	358.486	1.728	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cnn(C(C)C)c2C)C[C@H]1C	ZINC001106860354	881180944	/nfs/dbraw/zinc/18/09/44/881180944.db2.gz	VLKAFMFFSYNTOB-GDBMZVCRSA-N	1	0	361.490	1.372	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)CC1	ZINC000917141343	883127797	/nfs/dbraw/zinc/12/77/97/883127797.db2.gz	BTZXJSKTXFKDJU-AWEZNQCLSA-N	1	0	354.451	1.487	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCN2C(=O)OC(C)(C)C)CC1	ZINC000917141783	883130096	/nfs/dbraw/zinc/13/00/96/883130096.db2.gz	IWAUKOSTXWORAM-OAHLLOKOSA-N	1	0	352.479	1.945	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC001033875193	883312510	/nfs/dbraw/zinc/31/25/10/883312510.db2.gz	PVVIBDZMTCIMMP-MJBXVCDLSA-N	1	0	350.381	1.832	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[N@@H+](CCOc2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001128821000	883719665	/nfs/dbraw/zinc/71/96/65/883719665.db2.gz	LVTXAGSGPKHKBL-MOPGFXCFSA-N	1	0	369.469	1.973	20	30		FDEDRO
N#CCNC(=O)C[NH2+][C@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1	ZINC000429240296	883749606	/nfs/dbraw/zinc/74/96/06/883749606.db2.gz	SSWGHHPJAPZQQQ-VQIMIIECSA-N	1	0	369.396	1.806	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](CC/C=C/c2ccccc2)C[C@@H]1n1ccnn1	ZINC001128829734	883754435	/nfs/dbraw/zinc/75/44/35/883754435.db2.gz	JDPPDRNZRPXJAQ-CQWWFZQTSA-N	1	0	364.453	1.883	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ncoc2CC)[C@@H](n2ccnn2)C1	ZINC001128869108	883874733	/nfs/dbraw/zinc/87/47/33/883874733.db2.gz	DBUCXPHHDYJVRP-ZNMIVQPWSA-N	1	0	358.446	1.839	20	30		FDEDRO
C[NH+]1CCN(CC2CN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)C2)CC1	ZINC000917904181	883912310	/nfs/dbraw/zinc/91/23/10/883912310.db2.gz	UGKAMOWXJBDGJQ-UHFFFAOYSA-N	1	0	368.890	1.080	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@@H]1O	ZINC001083999589	912764988	/nfs/dbraw/zinc/76/49/88/912764988.db2.gz	XXVSTOWRYWJPTI-NJYVYQBISA-N	1	0	364.445	1.105	20	30		FDEDRO
CC(C)(C)CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](n2ccnn2)C1	ZINC001128891727	883969425	/nfs/dbraw/zinc/96/94/25/883969425.db2.gz	NTGKOCLWHMKYKO-SJORKVTESA-N	1	0	369.473	1.959	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2ccnn2CC)[C@@H](n2ccnn2)C1	ZINC001128920280	884123738	/nfs/dbraw/zinc/12/37/38/884123738.db2.gz	VSGKYENAKVXMPJ-AEFFLSMTSA-N	1	0	371.489	1.896	20	30		FDEDRO
Cc1ccn2c(c1)nc(CO[NH+]=C(N)c1ccc(N(C)C)cc1)cc2=O	ZINC000918185458	884204489	/nfs/dbraw/zinc/20/44/89/884204489.db2.gz	OXKRMMCCAVUHSI-UHFFFAOYSA-N	1	0	351.410	1.906	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001061750010	884352587	/nfs/dbraw/zinc/35/25/87/884352587.db2.gz	PICWIMFKSPCMEQ-OWCLPIDISA-N	1	0	351.491	1.273	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]2C)c1	ZINC000994568880	884359045	/nfs/dbraw/zinc/35/90/45/884359045.db2.gz	IIAZTQDODWBEKW-GPMSIDNRSA-N	1	0	368.481	1.229	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(c3ncc(C#N)cc3F)C2)CC[N@@H+]1C	ZINC001061758226	884465020	/nfs/dbraw/zinc/46/50/20/884465020.db2.gz	ZSGXLPDFFNKKMX-JLJPHGGASA-N	1	0	359.449	1.765	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@@H]1n1ccnn1	ZINC001128975989	884543136	/nfs/dbraw/zinc/54/31/36/884543136.db2.gz	CWENMZKKGOVDJP-KURKYZTESA-N	1	0	359.474	1.238	20	30		FDEDRO
CO[C@@H]1CN(CC(=O)N(CC(C)C)C(C)C)C[C@H]1NC(=O)C#CC(C)C	ZINC001212234087	884569195	/nfs/dbraw/zinc/56/91/95/884569195.db2.gz	MKTFJEXBOWUPOI-QZTJIDSGSA-N	1	0	365.518	1.354	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCCN(C(=O)CSCC#N)CC2)CC[N@@H+]1C	ZINC001078971525	884652393	/nfs/dbraw/zinc/65/23/93/884652393.db2.gz	ARWZIOIZIXYRDX-OWCLPIDISA-N	1	0	366.531	1.423	20	30		FDEDRO
Cc1ccc(CN2C[C@@H](NC(=O)C#CC3CC3)[C@@H](n3ccnn3)C2)cc1F	ZINC001128984979	884696680	/nfs/dbraw/zinc/69/66/80/884696680.db2.gz	FVLCTSZNUHCSSM-MOPGFXCFSA-N	1	0	367.428	1.681	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)C2(CCOCC)CCC2)[C@@H](n2ccnn2)C1	ZINC001128993629	884888852	/nfs/dbraw/zinc/88/88/52/884888852.db2.gz	IJOPKQDBAFLFCX-SJORKVTESA-N	1	0	359.474	1.240	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCOCC(F)F)[C@@H](n2ccnn2)C1	ZINC001128993791	884898087	/nfs/dbraw/zinc/89/80/87/884898087.db2.gz	RRESKQHLWLVVMT-ZNMIVQPWSA-N	1	0	371.432	1.646	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC1	ZINC001034735384	884927432	/nfs/dbraw/zinc/92/74/32/884927432.db2.gz	HKEVWTPVJHWJTK-VQHPVUNQSA-N	1	0	358.417	1.336	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2C#N)CC1	ZINC001034736217	884930219	/nfs/dbraw/zinc/93/02/19/884930219.db2.gz	STPBULJMUMSESB-CADBVGFASA-N	1	0	368.481	1.800	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](CCCCCC=C)C[C@@H]1n1ccnn1	ZINC001128999029	884942588	/nfs/dbraw/zinc/94/25/88/884942588.db2.gz	NJTVVZJSQIPKPP-MSOLQXFVSA-N	1	0	359.474	1.406	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)c1	ZINC001034738295	884947779	/nfs/dbraw/zinc/94/77/79/884947779.db2.gz	SNOBQZPQAYMQCY-FCGDIQPGSA-N	1	0	368.481	1.977	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC000999493909	912894549	/nfs/dbraw/zinc/89/45/49/912894549.db2.gz	MWCOHLSDOYYOEE-UTUOFQBUSA-N	1	0	356.772	1.666	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3C#N)C2)O1	ZINC000999494210	912894935	/nfs/dbraw/zinc/89/49/35/912894935.db2.gz	IFZZTELQBZUWLH-AYOQOUSVSA-N	1	0	356.470	1.358	20	30		FDEDRO
Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC[C@](O)(C[NH+](C)C)C1	ZINC000918973764	885135120	/nfs/dbraw/zinc/13/51/20/885135120.db2.gz	XRGHIKJQSFLZLZ-INIZCTEOSA-N	1	0	355.435	1.083	20	30		FDEDRO
N#Cc1ccc(C[NH2+]Cc2ccc(CNC(=O)[C@H]3C[C@H]3C(N)=O)cc2)cc1	ZINC001034825557	885220631	/nfs/dbraw/zinc/22/06/31/885220631.db2.gz	KJDRSQHLJHAVGV-MOPGFXCFSA-N	1	0	362.433	1.586	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC3CCC(F)(F)CC3)C[C@@H]2O)nc1	ZINC001083969434	912916928	/nfs/dbraw/zinc/91/69/28/912916928.db2.gz	BKSWEBQWXBUGQL-SJORKVTESA-N	1	0	363.408	1.663	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCCc3cccc(C)c3)C[C@@H]2O)cn1	ZINC001083970494	912920913	/nfs/dbraw/zinc/92/09/13/912920913.db2.gz	YWRSXXBEGZSDDE-RTWAWAEBSA-N	1	0	363.461	1.779	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1C[N@@H+](CCOCC)C[C@@H]1n1ccnn1)OCC	ZINC001129029934	885344614	/nfs/dbraw/zinc/34/46/14/885344614.db2.gz	QEIMDBNBEWOYDH-IKGGRYGDSA-N	1	0	365.478	1.027	20	30		FDEDRO
C#CCN(C(=O)NCC[S@@](=O)Cc1ccccc1)C1CC[NH+](C)CC1	ZINC000919240449	885438197	/nfs/dbraw/zinc/43/81/97/885438197.db2.gz	UWMCYMJBORKGON-RUZDIDTESA-N	1	0	361.511	1.674	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)C/C=C\c2cccc(F)c2)[C@@H](n2ccnn2)C1	ZINC001129052390	885579080	/nfs/dbraw/zinc/57/90/80/885579080.db2.gz	DCSHNEIDPJHPFN-JVCKMAHQSA-N	1	0	367.428	1.886	20	30		FDEDRO
C=CCN1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](n2ccnn2)C1	ZINC001129123063	885769283	/nfs/dbraw/zinc/76/92/83/885769283.db2.gz	ZFVCGAKZOAWGFA-SJORKVTESA-N	1	0	360.506	1.318	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](CCC(=C)C)C[C@@H]1n1ccnn1	ZINC001129127904	885821461	/nfs/dbraw/zinc/82/14/61/885821461.db2.gz	NAWMMNMFAKVZPE-ZIFCJYIRSA-N	1	0	361.490	1.815	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCn2nc(C)cc2C)[C@@H](n2ccnn2)C1	ZINC001129144861	885867777	/nfs/dbraw/zinc/86/77/77/885867777.db2.gz	VUEGJZSYVBTJNU-MSOLQXFVSA-N	1	0	371.489	1.489	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(Cc3ccccc3C#N)CCO2)CC[N@@H+]1C	ZINC001035374700	885945238	/nfs/dbraw/zinc/94/52/38/885945238.db2.gz	CVJIFEICTGJMQE-ATZDWAIDSA-N	1	0	356.470	1.215	20	30		FDEDRO
C[C@H](Nc1cnc(C#N)cn1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001061889833	886224603	/nfs/dbraw/zinc/22/46/03/886224603.db2.gz	QNELKHGHYZFLGV-JJRVBVJISA-N	1	0	356.474	1.727	20	30		FDEDRO
C#CCSCCNC(=O)N[C@@H]1C[C@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O	ZINC000919875136	886330903	/nfs/dbraw/zinc/33/09/03/886330903.db2.gz	PFSKXPMEVXRTKX-YFHUEUNASA-N	1	0	353.532	1.522	20	30		FDEDRO
C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCO[C@H]1c1ccnn1CC)CC2	ZINC001035725512	886380821	/nfs/dbraw/zinc/38/08/21/886380821.db2.gz	WSQCIHRRJAMCHJ-SJLPKXTDSA-N	1	0	356.470	1.538	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)CC1	ZINC000919966556	886473396	/nfs/dbraw/zinc/47/33/96/886473396.db2.gz	MASYIQMWVMQHSK-UHFFFAOYSA-N	1	0	371.456	1.892	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CN([C@H](C)c3nnc(C)o3)C2)CC1	ZINC001035800330	886481829	/nfs/dbraw/zinc/48/18/29/886481829.db2.gz	BZPBEOSHQYHQEL-BMFZPTHFSA-N	1	0	360.458	1.955	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](n2cc(C[NH2+]CC3CC3)nn2)C1	ZINC001089584288	886608024	/nfs/dbraw/zinc/60/80/24/886608024.db2.gz	NCLBVQMMTYSQCL-KSZLIROESA-N	1	0	359.474	1.532	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001060740781	886664646	/nfs/dbraw/zinc/66/46/46/886664646.db2.gz	UVOVAVOVGCZLPL-FLXNRXMOSA-N	1	0	365.518	1.445	20	30		FDEDRO
C=CCc1cc(C(=O)N2CC(N3CC[NH+](CC)CC3)C2)cc(OC)c1OC	ZINC001123964565	886670886	/nfs/dbraw/zinc/67/08/86/886670886.db2.gz	LFIRQERRZUADGE-UHFFFAOYSA-N	1	0	373.497	1.894	20	30		FDEDRO
CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)CC(C)(C)C#N)C2)[C@@H]1C(C)C	ZINC000920303982	886849599	/nfs/dbraw/zinc/84/95/99/886849599.db2.gz	VQARWEGEPLMIEU-AIANPOQGSA-N	1	0	357.520	1.325	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1	ZINC000920421039	886923008	/nfs/dbraw/zinc/92/30/08/886923008.db2.gz	HUMDPIBXXVEPIA-QGZVFWFLSA-N	1	0	374.489	1.507	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1	ZINC001062329242	887057601	/nfs/dbraw/zinc/05/76/01/887057601.db2.gz	MUSCZKLQPSWITK-ZACQAIPSSA-N	1	0	363.502	1.417	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)CSCC#N)CCC2)CC[N@@H+]1C	ZINC001062581623	887136595	/nfs/dbraw/zinc/13/65/95/887136595.db2.gz	KKHVOTAJCAFXMM-UONOGXRCSA-N	1	0	352.504	1.129	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1	ZINC000921130778	887472318	/nfs/dbraw/zinc/47/23/18/887472318.db2.gz	XTKKQFPVFUNIEZ-UHFFFAOYSA-N	1	0	370.247	1.590	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H](CC)c2nnc3n2CCCCC3)CC1	ZINC000921324479	887737744	/nfs/dbraw/zinc/73/77/44/887737744.db2.gz	ABIGGNGDDYQDJE-MRXNPFEDSA-N	1	0	358.490	1.852	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccc(C)cc2OCCOC)CC1	ZINC000921400425	887885978	/nfs/dbraw/zinc/88/59/78/887885978.db2.gz	VPUVQSULQSXICF-UHFFFAOYSA-N	1	0	359.470	1.917	20	30		FDEDRO
C[C@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C1(CO)CC1	ZINC000923092199	888005462	/nfs/dbraw/zinc/00/54/62/888005462.db2.gz	PBBCPRXUNMIQSY-HNNXBMFYSA-N	1	0	356.470	1.983	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NCCO[C@@H]3CCOC3)CC2)c1	ZINC000923092313	888006299	/nfs/dbraw/zinc/00/62/99/888006299.db2.gz	RGWUABTXMSZIFB-LJQANCHMSA-N	1	0	372.469	1.627	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2nn(C)c3ccccc32)C[C@H]1C	ZINC001106901286	888104462	/nfs/dbraw/zinc/10/44/62/888104462.db2.gz	WIKHWYKKRNEMJS-HZPDHXFCSA-N	1	0	354.454	1.521	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(N(C)C)c2)C[C@H]1OC	ZINC001212261063	888113237	/nfs/dbraw/zinc/11/32/37/888113237.db2.gz	SCSZYHWSTQHBNT-RTBURBONSA-N	1	0	359.470	1.108	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC([C@H](C)NC(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC001005937504	888157005	/nfs/dbraw/zinc/15/70/05/888157005.db2.gz	GQCRQOVONWVYMP-YLQAJVPDSA-N	1	0	357.458	1.193	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)Cc3ccc(F)cc3)C[C@@H]2O)C1	ZINC001083763287	888194152	/nfs/dbraw/zinc/19/41/52/888194152.db2.gz	CMWQLFABEINLQW-KSZLIROESA-N	1	0	362.445	1.247	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1	ZINC000946866872	888211484	/nfs/dbraw/zinc/21/14/84/888211484.db2.gz	CFHCKUCTFGGMQI-SZMVWBNQSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#Cc1cncc(C(=O)N(C)[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)c1	ZINC000938609191	888952817	/nfs/dbraw/zinc/95/28/17/888952817.db2.gz	LTBSXCVAYBXRQH-GBESFXJTSA-N	1	0	368.481	1.466	20	30		FDEDRO
C#CCN(C(=O)NCc1ccc(N(C)C(C)=O)cc1)C1CC[NH+](C)CC1	ZINC000923416365	889153664	/nfs/dbraw/zinc/15/36/64/889153664.db2.gz	MEIVLPQIYVOIOZ-UHFFFAOYSA-N	1	0	356.470	1.908	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccn3c(C)cnc3c2)[C@H](OC)C1	ZINC001212279698	889263709	/nfs/dbraw/zinc/26/37/09/889263709.db2.gz	SMAWOBKFTLCWQZ-IAGOWNOFSA-N	1	0	358.442	1.274	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccccc1Cl	ZINC001127605293	889514101	/nfs/dbraw/zinc/51/41/01/889514101.db2.gz	WVZWBEFAVMIAGZ-CJNGLKHVSA-N	1	0	365.861	1.966	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)COc1ccc(F)cc1	ZINC001127608731	889724232	/nfs/dbraw/zinc/72/42/32/889724232.db2.gz	DVAPRKDQZYDYRW-JQHSSLGASA-N	1	0	366.433	1.252	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)N1CCC(C)CC1	ZINC001127609213	889737566	/nfs/dbraw/zinc/73/75/66/889737566.db2.gz	PTTXMFPESYMDGG-ZACQAIPSSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCc1cccs1	ZINC001127609187	889737938	/nfs/dbraw/zinc/73/79/38/889737938.db2.gz	OKIXVMOBFYNSNB-CABCVRRESA-N	1	0	351.472	1.051	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)C1	ZINC000923580972	889962435	/nfs/dbraw/zinc/96/24/35/889962435.db2.gz	FRGDXZDXMQEXQU-RBUKOAKNSA-N	1	0	353.466	1.434	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1(NC(=O)[C@@H]2CCC[N@H+]2C)CCC1	ZINC001063187918	890283915	/nfs/dbraw/zinc/28/39/15/890283915.db2.gz	YYFQUSUSQUQJSC-ULQDDVLXSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(NC(=O)C2CC[NH+](C)CC2)CCC1	ZINC001063214201	890338083	/nfs/dbraw/zinc/33/80/83/890338083.db2.gz	DSBWDJJXNIUQCK-SJORKVTESA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1	ZINC001063214945	890341094	/nfs/dbraw/zinc/34/10/94/890341094.db2.gz	YNCDHDDZTRBNAN-BBWFWOEESA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@H]1CCCO[C@H]1C(C)C	ZINC001127624388	890390888	/nfs/dbraw/zinc/39/08/88/890390888.db2.gz	OILXNGZBLVEKRR-WMZOPIPTSA-N	1	0	353.507	1.568	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC(CCNc3ccc(C#N)nn3)CC2)CC[N@@H+]1C	ZINC001063341764	890476467	/nfs/dbraw/zinc/47/64/67/890476467.db2.gz	RNVGSEBDNSGING-RHSMWYFYSA-N	1	0	356.474	1.729	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC2(NC(=O)[C@H]3CC[C@@H](C)O3)CCC2)CC1	ZINC001063341504	890476514	/nfs/dbraw/zinc/47/65/14/890476514.db2.gz	ZSUSRJIKSORTPR-NVXWUHKLSA-N	1	0	361.486	1.054	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1CN([C@@H]2CCN(c3ccccc3)C2=O)C[C@H]1OC	ZINC001212344529	891013567	/nfs/dbraw/zinc/01/35/67/891013567.db2.gz	AEKCDNGMELPQGI-GUDVDZBRSA-N	1	0	371.481	1.964	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000939762761	891214065	/nfs/dbraw/zinc/21/40/65/891214065.db2.gz	VWNDFKUWCVZUBA-NXHRZFHOSA-N	1	0	368.437	1.598	20	30		FDEDRO
C[NH+](C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C#N)c[nH]1)C2)C1CC1	ZINC001001887288	891562987	/nfs/dbraw/zinc/56/29/87/891562987.db2.gz	ACQDIOSUTIDIOT-TXCZRRACSA-N	1	0	355.442	1.088	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2[C@@H]4CCC[C@@H]42)C3)CC1	ZINC001001890387	891569485	/nfs/dbraw/zinc/56/94/85/891569485.db2.gz	PFVDBWCCODAKNV-NADOGSGZSA-N	1	0	369.509	1.626	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C#N)[nH]1)C2	ZINC001002096585	891917530	/nfs/dbraw/zinc/91/75/30/891917530.db2.gz	RATWZXBPRPQNTO-MXASKKJJSA-N	1	0	355.442	1.232	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c[nH]c(C#N)c2)C3)CC[N@@H+]1C	ZINC001002142392	891977731	/nfs/dbraw/zinc/97/77/31/891977731.db2.gz	REWSQZQEUVAZHE-ILOCAZANSA-N	1	0	369.469	1.478	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C1	ZINC001002142764	891981713	/nfs/dbraw/zinc/98/17/13/891981713.db2.gz	OGMBXIJCNZQWEV-BZSNNMDCSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1	ZINC000940287211	892155008	/nfs/dbraw/zinc/15/50/08/892155008.db2.gz	DIUWEERKJNMIHF-IXDOHACOSA-N	1	0	358.486	1.735	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1	ZINC000940298887	892212537	/nfs/dbraw/zinc/21/25/37/892212537.db2.gz	YVBIRJQEKRTKCW-MBOZVWFJSA-N	1	0	367.493	1.515	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(C3CCCCC3)CC2)C[C@H]1C	ZINC001106923006	892599233	/nfs/dbraw/zinc/59/92/33/892599233.db2.gz	XLWPLWGPNGPALU-IAGOWNOFSA-N	1	0	359.514	1.780	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1ccncc1	ZINC001127685841	892716574	/nfs/dbraw/zinc/71/65/74/892716574.db2.gz	VOETZQUKLCLIAX-BPQIPLTHSA-N	1	0	358.486	1.704	20	30		FDEDRO
N#CC1(CS(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CCCCC1	ZINC000921907332	892738612	/nfs/dbraw/zinc/73/86/12/892738612.db2.gz	FOPSVINFMFQYAV-MRXNPFEDSA-N	1	0	355.504	1.633	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1cccc(OCC#N)c1)C[NH+]1CCCCC1	ZINC000265787769	892949338	/nfs/dbraw/zinc/94/93/38/892949338.db2.gz	HZSXOOWYNYEPKQ-OAHLLOKOSA-N	1	0	358.442	1.766	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000940746366	893026469	/nfs/dbraw/zinc/02/64/69/893026469.db2.gz	SDOGAKNZTTUPIK-NXHRZFHOSA-N	1	0	368.437	1.646	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3ccnn3C)[C@H](C)C2)CCOCC1	ZINC001106932252	893026941	/nfs/dbraw/zinc/02/69/41/893026941.db2.gz	WJCRYANFADHCQN-IAGOWNOFSA-N	1	0	360.502	1.977	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]CCn3cncn3)[C@H](C)C2)CCOCC1	ZINC001106933441	893041155	/nfs/dbraw/zinc/04/11/55/893041155.db2.gz	SMDLHYZJXOBECC-IAGOWNOFSA-N	1	0	361.490	1.335	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)N(C)CC3)C[C@H]1C	ZINC001106938269	893094032	/nfs/dbraw/zinc/09/40/32/893094032.db2.gz	PMLWXMRIGDBHDI-CRAIPNDOSA-N	1	0	370.497	1.279	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C(F)(F)F)CC[C@@H]2C)CC1	ZINC000672355510	893175646	/nfs/dbraw/zinc/17/56/46/893175646.db2.gz	ZEGIDOSSDPIBCJ-STQMWFEESA-N	1	0	361.408	1.942	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cn3c(n2)C[C@@H](C)CC3)[C@H](OC)C1	ZINC001212458708	893707821	/nfs/dbraw/zinc/70/78/21/893707821.db2.gz	NLTPPYUITCVZSQ-ZMSDIMECSA-N	1	0	362.474	1.097	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)COCc2ccnc(OC)c2)[C@H](OC)C1	ZINC001212462782	893876992	/nfs/dbraw/zinc/87/69/92/893876992.db2.gz	JTJUKTJMJAWFCH-IAGOWNOFSA-N	1	0	363.458	1.388	20	30		FDEDRO
CCOc1ccc(CC(=O)N2C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C2)cc1	ZINC001106951037	894026752	/nfs/dbraw/zinc/02/67/52/894026752.db2.gz	OHCDWBFTTRUKBC-IEBWSBKVSA-N	1	0	358.482	1.962	20	30		FDEDRO
C#CCN(C(=O)NCCc1nn(C)c2ccccc12)C1CC[NH+](C)CC1	ZINC000922034587	894715578	/nfs/dbraw/zinc/71/55/78/894715578.db2.gz	ZQFKFXPPAVYZNI-UHFFFAOYSA-N	1	0	353.470	1.855	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCN(C2C[NH+](CC3CCC3)C2)CC1	ZINC000941599923	895352922	/nfs/dbraw/zinc/35/29/22/895352922.db2.gz	NAICOYKKWKPLAM-PMACEKPBSA-N	1	0	361.530	1.986	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCc2cccs2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106961441	895879081	/nfs/dbraw/zinc/87/90/81/895879081.db2.gz	WDTMOPGPLLWVHS-HUUCEWRRSA-N	1	0	362.499	1.395	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCCOC[C@@H]1C)C(C)C	ZINC000671082066	896162368	/nfs/dbraw/zinc/16/23/68/896162368.db2.gz	SHCCINSMJBEUOL-DLBZAZTESA-N	1	0	351.491	1.439	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C(=O)NC)cc2)C1	ZINC001031987768	896163208	/nfs/dbraw/zinc/16/32/08/896163208.db2.gz	YWBZRFMHHXHQFX-MSOLQXFVSA-N	1	0	357.454	1.185	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](C[C@H](O)Cc2ccc(F)cc2)C1	ZINC001031987829	896176230	/nfs/dbraw/zinc/17/62/30/896176230.db2.gz	ARIHUDISVHQSLN-QRVBRYPASA-N	1	0	362.445	1.368	20	30		FDEDRO
COc1ccc(CN2CC(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)cc1C#N	ZINC001031992521	896279698	/nfs/dbraw/zinc/27/96/98/896279698.db2.gz	CYSIRGAPIFEUQZ-LMMKCTJWSA-N	1	0	355.438	1.682	20	30		FDEDRO
N#CCOc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)cc1	ZINC001031992699	896290549	/nfs/dbraw/zinc/29/05/49/896290549.db2.gz	LAXYFFUSVUBVPB-QRVBRYPASA-N	1	0	355.438	1.704	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCN2C(=O)CNC2=O)C[C@H]1C	ZINC001106966633	896413606	/nfs/dbraw/zinc/41/36/06/896413606.db2.gz	BUCNIWQFHSDXSP-BZUAXINKSA-N	1	0	364.490	1.357	20	30		FDEDRO
CC(C)c1cc(C(=O)N[C@@H]2CN(Cc3cccc(C#N)c3)C[C@H]2O)n(C)n1	ZINC001077929315	896920348	/nfs/dbraw/zinc/92/03/48/896920348.db2.gz	IBGCCJUXKQVEAP-IEBWSBKVSA-N	1	0	367.453	1.390	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1	ZINC000273540335	896952727	/nfs/dbraw/zinc/95/27/27/896952727.db2.gz	FXRNMUXIVHDYHV-UHFFFAOYSA-N	1	0	358.442	1.744	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)CC1	ZINC000921697181	896973059	/nfs/dbraw/zinc/97/30/59/896973059.db2.gz	BPSDALRLVPELEU-QGZVFWFLSA-N	1	0	372.444	1.718	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC001000206836	897151073	/nfs/dbraw/zinc/15/10/73/897151073.db2.gz	SPUZJUDXPYDIGV-VKJFTORMSA-N	1	0	354.454	1.540	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COc2ccc(F)cc2)C[C@H]1C	ZINC001106970588	897187654	/nfs/dbraw/zinc/18/76/54/897187654.db2.gz	JJHBBDFNUHNLCT-HUUCEWRRSA-N	1	0	363.433	1.191	20	30		FDEDRO
C=C(Br)CN1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1	ZINC001084349465	914137244	/nfs/dbraw/zinc/13/72/44/914137244.db2.gz	NAPQKULCYNZHOF-OWCLPIDISA-N	1	0	368.319	1.770	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@@H+](CCOC)CC2(CCOCC2)C1	ZINC001089956729	897238607	/nfs/dbraw/zinc/23/86/07/897238607.db2.gz	CGLAHEGFMLGTHU-ZACQAIPSSA-N	1	0	352.475	1.211	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C)cc2)C[C@H]1C	ZINC001106972862	897239114	/nfs/dbraw/zinc/23/91/14/897239114.db2.gz	OOUSMUHAGCIUKH-IAGOWNOFSA-N	1	0	359.470	1.820	20	30		FDEDRO
CC#CC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@H]3OCC[C@H]3C)C2)n1	ZINC001128117707	897298590	/nfs/dbraw/zinc/29/85/90/897298590.db2.gz	HZBKPFHRHFAENN-SUMDDJOVSA-N	1	0	356.470	1.314	20	30		FDEDRO
CCc1noc(CCCC(=O)N2C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C2)n1	ZINC001106978729	897330848	/nfs/dbraw/zinc/33/08/48/897330848.db2.gz	IGBDRLLMBKRZGA-HZPDHXFCSA-N	1	0	362.474	1.289	20	30		FDEDRO
C=CCCCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1	ZINC001108024818	897393340	/nfs/dbraw/zinc/39/33/40/897393340.db2.gz	QATBMVARNFWGRQ-QWFCFKBJSA-N	1	0	367.534	1.659	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cn(C)nc2C(C)C)C[C@H]1C	ZINC001106981129	897411226	/nfs/dbraw/zinc/41/12/26/897411226.db2.gz	GXKTVBUTYRXUJO-HUUCEWRRSA-N	1	0	361.490	1.143	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1C	ZINC001106982183	897473677	/nfs/dbraw/zinc/47/36/77/897473677.db2.gz	FHIATSXJIWGLJQ-HZPDHXFCSA-N	1	0	361.490	1.142	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)n2nc(C)cc2C)C[C@H]1C	ZINC001106986401	897600737	/nfs/dbraw/zinc/60/07/37/897600737.db2.gz	NHZIEBRAWRWEHH-ATZDWAIDSA-N	1	0	360.502	1.785	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[NH+]1CCC(C)CC1	ZINC001078026442	897632886	/nfs/dbraw/zinc/63/28/86/897632886.db2.gz	LGCLFKBIAGGCCS-BBWFWOEESA-N	1	0	351.491	1.320	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1O	ZINC001078028108	897658670	/nfs/dbraw/zinc/65/86/70/897658670.db2.gz	ZGUJQGDFBUUBMZ-RTBURBONSA-N	1	0	369.465	1.759	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC#CC)CC2(CCOCC2)C1	ZINC001089965447	897903914	/nfs/dbraw/zinc/90/39/14/897903914.db2.gz	PTWIKBCKSUTPQA-FHWLQOOXSA-N	1	0	360.498	1.978	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CN(Cc2c(C)noc2CC)C[C@H]1O	ZINC001078082605	897910634	/nfs/dbraw/zinc/91/06/34/897910634.db2.gz	PRMDXRCTEYIASJ-RTBURBONSA-N	1	0	367.449	1.431	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1	ZINC000942846380	897946320	/nfs/dbraw/zinc/94/63/20/897946320.db2.gz	CRSQBYDLYABDSM-KSZLIROESA-N	1	0	363.502	1.369	20	30		FDEDRO
COC(=O)[C@]12C[N@@H+]([C@H](C)C(=O)Nc3cccc(C#N)c3)C[C@H]1COCC2	ZINC000369550772	897956157	/nfs/dbraw/zinc/95/61/57/897956157.db2.gz	MVALEWQFVQIRKZ-FRIZHTMISA-N	1	0	357.410	1.397	20	30		FDEDRO
C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC001108029404	897979475	/nfs/dbraw/zinc/97/94/75/897979475.db2.gz	VPMQPYQOZRBOIT-IPYPFGDCSA-N	1	0	366.380	1.116	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1	ZINC000765932447	898345469	/nfs/dbraw/zinc/34/54/69/898345469.db2.gz	YNXPWJIGYACMAE-QGZVFWFLSA-N	1	0	355.438	1.770	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000943199775	898507996	/nfs/dbraw/zinc/50/79/96/898507996.db2.gz	OSTMPEJBXVJLAO-FVQBIDKESA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cncn2C)C1	ZINC001078402100	898732608	/nfs/dbraw/zinc/73/26/08/898732608.db2.gz	FKYVTVQAWSVHLC-KURKYZTESA-N	1	0	362.474	1.108	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cc(C)no2)C1	ZINC001078486296	898843992	/nfs/dbraw/zinc/84/39/92/898843992.db2.gz	UGWUOUMJPVNHAQ-SQNIBIBYSA-N	1	0	363.458	1.671	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H](N(C)C(=O)CSCC#N)CC2)CC[N@@H+]1C	ZINC001078836939	899062857	/nfs/dbraw/zinc/06/28/57/899062857.db2.gz	UZCVRZOZSPMSFI-OWCLPIDISA-N	1	0	366.531	1.423	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c(C)n[nH]c2C)C[C@H]1C	ZINC001107002822	899161492	/nfs/dbraw/zinc/16/14/92/899161492.db2.gz	RQWZQHXYYDNIQN-HDMKZQKVSA-N	1	0	360.502	1.539	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccc[nH]2)C[C@H]1C	ZINC001107009724	899519282	/nfs/dbraw/zinc/51/92/82/899519282.db2.gz	XRPYMAPITWIHOR-IAGOWNOFSA-N	1	0	360.502	1.666	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2ccccc2)C[C@H]1C	ZINC001107012452	899537766	/nfs/dbraw/zinc/53/77/66/899537766.db2.gz	UHFNEFMQWCBFHJ-ZHALLVOQSA-N	1	0	357.498	1.852	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C=C)c2ccccc2)C[C@H]1C	ZINC001107017792	899556541	/nfs/dbraw/zinc/55/65/41/899556541.db2.gz	DGOARDNBYINOSU-QRQLOZEOSA-N	1	0	355.482	1.943	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3nnc(C)n3C2)C[C@H]1C	ZINC001107022940	899616389	/nfs/dbraw/zinc/61/63/89/899616389.db2.gz	BTOSUZWCKIACNP-DJIMGWMZSA-N	1	0	361.490	1.036	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C)nc3C)C[C@H]21	ZINC001084418121	914382366	/nfs/dbraw/zinc/38/23/66/914382366.db2.gz	WOFONUYFKITNFR-QHAWAJNXSA-N	1	0	366.509	1.829	20	30		FDEDRO
C[NH+]=C(NCc1ccnc(C)n1)N1CCN(c2ccccc2OC)CC1	ZINC000072677581	899886122	/nfs/dbraw/zinc/88/61/22/899886122.db2.gz	YJJNRKHNMBNJBW-UHFFFAOYSA-N	1	0	354.458	1.691	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)C2CC2)C[C@H]1C	ZINC001107043795	900066800	/nfs/dbraw/zinc/06/68/00/900066800.db2.gz	WDAMOCCBIHHAQD-IIAWOOMASA-N	1	0	364.490	1.119	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@H]2OC)cc1	ZINC000944337315	900172472	/nfs/dbraw/zinc/17/24/72/900172472.db2.gz	OSHDXCMXWRXRAV-KFKAGJAMSA-N	1	0	369.465	1.108	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3oc(C)nc32)C[C@H]1C	ZINC001107052149	900190946	/nfs/dbraw/zinc/19/09/46/900190946.db2.gz	BLWQLRRUBLLCRA-UKRRQHHQSA-N	1	0	370.453	1.736	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C[C@H]1C	ZINC001107057069	900239244	/nfs/dbraw/zinc/23/92/44/900239244.db2.gz	LAYTZYBYYUOUEB-SKWUIDRYSA-N	1	0	371.456	1.363	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C[C@H]1C	ZINC001107056924	900254588	/nfs/dbraw/zinc/25/45/88/900254588.db2.gz	CMZVJARICBVXDH-SKWUIDRYSA-N	1	0	373.472	1.916	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2ccco2)[C@H](C)C1	ZINC001107059078	900309067	/nfs/dbraw/zinc/30/90/67/900309067.db2.gz	QJEUCOLPKSWDPP-HZPDHXFCSA-N	1	0	363.458	1.173	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C(C)C)o2)[C@H](C)C1	ZINC001107062452	900370443	/nfs/dbraw/zinc/37/04/43/900370443.db2.gz	LLPOUYRPWZQKMM-QLFBSQMISA-N	1	0	350.463	1.968	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)N(CC)CC)[C@H](C)C1	ZINC001107062129	900440848	/nfs/dbraw/zinc/44/08/48/900440848.db2.gz	ADCGINXXTZXRLM-BRWVUGGUSA-N	1	0	353.507	1.520	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(CC)CC)[C@H](C)C1	ZINC001107062198	900442456	/nfs/dbraw/zinc/44/24/56/900442456.db2.gz	CHOOUYCZUSSRAM-HZPDHXFCSA-N	1	0	353.507	1.568	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cn(C(C)(C)C)nn2)[C@H](C)C1	ZINC001107063111	900448243	/nfs/dbraw/zinc/44/82/43/900448243.db2.gz	BVGHUHCJHFMGFS-OWCLPIDISA-N	1	0	363.506	1.808	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(CC)CC)[C@H](C)C1	ZINC001107065810	900457805	/nfs/dbraw/zinc/45/78/05/900457805.db2.gz	YJZJJXJWCLSKPF-OWCLPIDISA-N	1	0	353.507	1.566	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2cscn2)C[C@H]1C	ZINC001107068122	900473158	/nfs/dbraw/zinc/47/31/58/900473158.db2.gz	QOMGMTRTKTXIDL-ZIAGYGMSSA-N	1	0	350.488	1.062	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)n2nc(C)cc2C)C[C@H]1C	ZINC001107068135	900473228	/nfs/dbraw/zinc/47/32/28/900473228.db2.gz	RHGLNMYXFDMOCL-XOKHGSTOSA-N	1	0	361.490	1.047	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2cscn2)C[C@H]1C	ZINC001107068112	900473410	/nfs/dbraw/zinc/47/34/10/900473410.db2.gz	QGXZWASYTKZQGC-QLFBSQMISA-N	1	0	364.515	1.451	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@]2(C)OCCc3ccccc32)C[C@H]1C	ZINC001107076248	900534090	/nfs/dbraw/zinc/53/40/90/900534090.db2.gz	MGQZEBBWDZAPST-JUXOCIIHSA-N	1	0	370.493	1.808	20	30		FDEDRO
C=C1CCC(C(=O)NC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)CC1	ZINC000944761965	900813787	/nfs/dbraw/zinc/81/37/87/900813787.db2.gz	NENWGABJAICGQD-KBAYOESNSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CCC1	ZINC001063486288	900939554	/nfs/dbraw/zinc/93/95/54/900939554.db2.gz	RVBLQQBNGWLPTR-BBWFWOEESA-N	1	0	363.502	1.607	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](OC)C2CCCCC2)C[C@H]1C	ZINC001107104125	901176504	/nfs/dbraw/zinc/17/65/04/901176504.db2.gz	UOJDGMBSDBIEBO-BHIYHBOVSA-N	1	0	350.503	1.916	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC(CCN(C)c3ccnc(C#N)n3)CC2)CC[N@@H+]1C	ZINC001063974438	901221491	/nfs/dbraw/zinc/22/14/91/901221491.db2.gz	HFZQHFRGKKDMBV-NVXWUHKLSA-N	1	0	370.501	1.753	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2Cc3cccc(C)c3O2)C[C@H]1C	ZINC001107105051	901278315	/nfs/dbraw/zinc/27/83/15/901278315.db2.gz	CSIRGONLRIZVFD-BHIYHBOVSA-N	1	0	356.466	1.632	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c(C)noc2C)[C@@H](n2ccnn2)C1	ZINC001129313116	901280740	/nfs/dbraw/zinc/28/07/40/901280740.db2.gz	XXGBLIPLUKZWJM-XWIAVFTESA-N	1	0	370.457	1.127	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000995670660	901301440	/nfs/dbraw/zinc/30/14/40/901301440.db2.gz	NYDLAOMWJHYGMG-SJORKVTESA-N	1	0	354.410	1.256	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CCC1	ZINC001064584263	901435689	/nfs/dbraw/zinc/43/56/89/901435689.db2.gz	JDIVEVCDRVOLIY-ZACQAIPSSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NC(=O)[C@@H](CC)[NH+](CC)CC)CCC1	ZINC001064584503	901436825	/nfs/dbraw/zinc/43/68/25/901436825.db2.gz	PVVIIEDEFXYAJK-ZACQAIPSSA-N	1	0	365.518	1.853	20	30		FDEDRO
N#Cc1ccc(OCC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1	ZINC000272874487	901585868	/nfs/dbraw/zinc/58/58/68/901585868.db2.gz	ULTNTVGCDGVXSJ-IBGZPJMESA-N	1	0	365.433	1.820	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCCCCS(N)(=O)=O)C[C@H]1C	ZINC001107109124	901590391	/nfs/dbraw/zinc/59/03/91/901590391.db2.gz	PFPAVIZVHBGVHG-HZPDHXFCSA-N	1	0	359.536	1.486	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(C)o2)C3)CC1	ZINC000995694289	901790756	/nfs/dbraw/zinc/79/07/56/901790756.db2.gz	WAMDCXVHXFPNRQ-SQNIBIBYSA-N	1	0	369.465	1.795	20	30		FDEDRO
CC[C@H](C(=O)N1CC[C@H]2CN(c3cnc(C#N)cn3)C[C@H]21)[NH+](CC)CC	ZINC001090355431	901826643	/nfs/dbraw/zinc/82/66/43/901826643.db2.gz	LHXHGHVUQAKWMO-USXIJHARSA-N	1	0	356.474	1.506	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2cnc(C#N)cn2)CC[N@@H+]1C	ZINC001065171174	901884155	/nfs/dbraw/zinc/88/41/55/901884155.db2.gz	PUBRFVNWBSTCJO-VSZNYVQBSA-N	1	0	368.485	1.648	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cn(C)nc2C)C1	ZINC001079129786	901935940	/nfs/dbraw/zinc/93/59/40/901935940.db2.gz	HJLTUQVLHWJUQR-WOJBJXKFSA-N	1	0	368.481	1.992	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cc(C)n[nH]2)C1	ZINC001079130115	901939188	/nfs/dbraw/zinc/93/91/88/901939188.db2.gz	XXFZBPQYNUASJI-RTBURBONSA-N	1	0	354.454	1.982	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1c1ccc(F)cc1	ZINC001079148851	901976492	/nfs/dbraw/zinc/97/64/92/901976492.db2.gz	OURHKALANPPNEO-DLBZAZTESA-N	1	0	358.421	1.363	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(C)nnn2CC)CC[C@H]1c1ccc(F)cc1	ZINC001079153426	901989945	/nfs/dbraw/zinc/98/99/45/901989945.db2.gz	GSHZTHDNHSGXNE-ZWKOTPCHSA-N	1	0	369.444	1.967	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[C@@H]2C(F)F)C1	ZINC001079134669	901997089	/nfs/dbraw/zinc/99/70/89/901997089.db2.gz	LFDRWAPVBBKVCD-WNRNVDISSA-N	1	0	362.420	1.985	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C2CC(OC)C2)C1	ZINC001079136821	902007629	/nfs/dbraw/zinc/00/76/29/902007629.db2.gz	FEILKDTZUFWDFN-NTFDOXNWSA-N	1	0	356.466	1.509	20	30		FDEDRO
C=CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccc(C(N)=O)o2)C1	ZINC001079137903	902014336	/nfs/dbraw/zinc/01/43/36/902014336.db2.gz	BJRIJCWTFSLPAI-HZPDHXFCSA-N	1	0	369.421	1.252	20	30		FDEDRO
C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1c1cccc(F)c1	ZINC001079177717	902062901	/nfs/dbraw/zinc/06/29/01/902062901.db2.gz	GPEWPFRTBZNXQD-PZPSRYQVSA-N	1	0	356.401	1.604	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@]2(CC)CCNC2=O)CC[C@H]1c1ccc(F)cc1	ZINC001079154828	902070008	/nfs/dbraw/zinc/07/00/08/902070008.db2.gz	YGXPGBQXJJFHTN-WAOWUJCRSA-N	1	0	371.456	1.649	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)CC[C@H]1c1ccc(F)cc1	ZINC001079156876	902074812	/nfs/dbraw/zinc/07/48/12/902074812.db2.gz	MPHLHMHQEJQKKB-KSZLIROESA-N	1	0	357.429	1.354	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1c1cccc(F)c1	ZINC001079198880	902099020	/nfs/dbraw/zinc/09/90/20/902099020.db2.gz	WTDZIRWWEMDEQF-ZWKOTPCHSA-N	1	0	355.417	1.104	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)N2CCCC2=O)C[C@H]1c1cccc(F)c1	ZINC001079206117	902111231	/nfs/dbraw/zinc/11/12/31/902111231.db2.gz	XKRPLUFCAIANKJ-ZYSHUDEJSA-N	1	0	371.456	1.744	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@H]1c1cccc(F)c1	ZINC001079207143	902114590	/nfs/dbraw/zinc/11/45/90/902114590.db2.gz	QBAUYFAEIKMJKR-ZWKOTPCHSA-N	1	0	353.397	1.355	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2ccncn2)C[C@H]1c1cccc(F)c1	ZINC001079185321	902129037	/nfs/dbraw/zinc/12/90/37/902129037.db2.gz	JRESYPLXIIHRLG-RBUKOAKNSA-N	1	0	352.413	1.766	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC(=O)NC2)C[C@H]1c1cccc(F)c1	ZINC001079186515	902131623	/nfs/dbraw/zinc/13/16/23/902131623.db2.gz	PACFXAFPBINCCY-JCGIZDLHSA-N	1	0	357.429	1.259	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc3n[nH]nc3c2)C[C@H]1c1cccc(F)c1	ZINC001079187469	902134015	/nfs/dbraw/zinc/13/40/15/902134015.db2.gz	IJQOOBUJNBEZBJ-DOTOQJQBSA-N	1	0	364.384	1.323	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1c1cccc(F)c1	ZINC001079187657	902135157	/nfs/dbraw/zinc/13/51/57/902135157.db2.gz	RQLZDXSZUKXUKR-OKZBNKHCSA-N	1	0	359.445	1.812	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCN(C)C2=O)C[C@H]1c1cccc(F)c1	ZINC001079188766	902138749	/nfs/dbraw/zinc/13/87/49/902138749.db2.gz	PQIAEWUZHAYDOX-RYQLBKOJSA-N	1	0	357.429	1.211	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCNC(=O)C2)C[C@H]1c1cccc(F)c1	ZINC001079189027	902140182	/nfs/dbraw/zinc/14/01/82/902140182.db2.gz	CKBYUTUCPQRVBA-SQGPQFPESA-N	1	0	359.445	1.812	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)C[C@H]3COC(=O)C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079235809	902175800	/nfs/dbraw/zinc/17/58/00/902175800.db2.gz	SBPMJELORJOLIM-IXDOHACOSA-N	1	0	362.470	1.455	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3cc(OC)no3)[C@@H]3COC[C@@H]32)CC1	ZINC001079236991	902177314	/nfs/dbraw/zinc/17/73/14/902177314.db2.gz	IBLAWECJERIVFT-LSDHHAIUSA-N	1	0	361.442	1.812	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)/C=C\c3ccc[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079239095	902183538	/nfs/dbraw/zinc/18/35/38/902183538.db2.gz	BJFFPMTYVXXFFN-OXUXSNCKSA-N	1	0	353.466	1.991	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCc4cn[nH]c43)[C@@H]3COC[C@@H]32)CC1	ZINC001079241937	902195412	/nfs/dbraw/zinc/19/54/12/902195412.db2.gz	KKVYHSCAPXYLHV-FGTMMUONSA-N	1	0	370.497	1.955	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cccc(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079221524	902221723	/nfs/dbraw/zinc/22/17/23/902221723.db2.gz	DVTOFRUWKSPGFR-PKOBYXMFSA-N	1	0	353.466	1.966	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3snnc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079221493	902221894	/nfs/dbraw/zinc/22/18/94/902221894.db2.gz	BYRCSNUHVDOHCM-LSDHHAIUSA-N	1	0	362.499	1.976	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc(C4CC4)n(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079244857	902251004	/nfs/dbraw/zinc/25/10/04/902251004.db2.gz	JFTJCTCXOIWUEV-QFBILLFUSA-N	1	0	368.481	1.484	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC(F)(F)C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079245016	902252663	/nfs/dbraw/zinc/25/26/63/902252663.db2.gz	SNEHHBKMUVCYKK-HRCADAONSA-N	1	0	352.425	1.994	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3ncnc4[nH]ccc43)[C@@H]3COC[C@@H]32)CC1	ZINC001079250358	902269854	/nfs/dbraw/zinc/26/98/54/902269854.db2.gz	ZUIYAWOBUOKILI-JKSUJKDBSA-N	1	0	367.453	1.649	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)C[C@@H]3CCC(=O)N3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079254682	902280738	/nfs/dbraw/zinc/28/07/38/902280738.db2.gz	PAIWEJZKEOAARD-YESZJQIVSA-N	1	0	361.486	1.123	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)C3CCC(OC)CC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079258110	902290993	/nfs/dbraw/zinc/29/09/93/902290993.db2.gz	NPQFRFUWZRGMLI-WZOJCFFYSA-N	1	0	360.498	1.764	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cccnc3OC)[C@@H]3COC[C@@H]32)CC1	ZINC001079258488	902292180	/nfs/dbraw/zinc/29/21/80/902292180.db2.gz	DDPNTFXKRQQCJG-ZWKOTPCHSA-N	1	0	369.465	1.667	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3ccc4nonc4c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079258587	902293039	/nfs/dbraw/zinc/29/30/39/902293039.db2.gz	HKUYFTBAGJSXMU-MAUKXSAKSA-N	1	0	368.437	1.962	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)Cn3ccc(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079260758	902298837	/nfs/dbraw/zinc/29/88/37/902298837.db2.gz	NUBAVFGXELEIIM-ZWKOTPCHSA-N	1	0	358.486	1.707	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cccnc3OCC)[C@@H]3COC[C@@H]32)CC1	ZINC001079272358	902334735	/nfs/dbraw/zinc/33/47/35/902334735.db2.gz	KLEXBSBMPUEHEK-ZWKOTPCHSA-N	1	0	369.465	1.667	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCc2ccnn2C)C(C)(C)C1	ZINC000995829750	902344219	/nfs/dbraw/zinc/34/42/19/902344219.db2.gz	DDLIEQXHJYZXJZ-FGTMMUONSA-N	1	0	360.502	1.770	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cc(OC)no2)C(C)(C)C1	ZINC000995830142	902346675	/nfs/dbraw/zinc/34/66/75/902346675.db2.gz	FWJYJLSFIZPILQ-OWCLPIDISA-N	1	0	363.458	1.991	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3ccnc3C2)C[C@H]1c1ccccc1F	ZINC001079300928	902347665	/nfs/dbraw/zinc/34/76/65/902347665.db2.gz	VQYMLIRHNZABFB-VDZJLULYSA-N	1	0	366.440	1.802	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1c1ccccc1F	ZINC001079300933	902348039	/nfs/dbraw/zinc/34/80/39/902348039.db2.gz	VWELTGKHJSJTMN-FUHWJXTLSA-N	1	0	353.397	1.355	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn3cccnc3n2)C[C@H]1c1ccccc1F	ZINC001079301790	902349677	/nfs/dbraw/zinc/34/96/77/902349677.db2.gz	IHLPSCWRBJBSGX-DOTOQJQBSA-N	1	0	363.396	1.699	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCc4c[nH]nc4C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079274551	902356246	/nfs/dbraw/zinc/35/62/46/902356246.db2.gz	VFHOOHHZWOTGAI-HHXXYDBFSA-N	1	0	368.481	1.087	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccnc3[nH]cnc32)C[C@H]1c1ccccc1F	ZINC001079297986	902405023	/nfs/dbraw/zinc/40/50/23/902405023.db2.gz	WSQPRLQPKLBRTC-DOTOQJQBSA-N	1	0	363.396	1.928	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CCO)C1	ZINC001079314599	902407631	/nfs/dbraw/zinc/40/76/31/902407631.db2.gz	ASURSOXFCGGRRP-DKKFBQAASA-N	1	0	362.445	1.683	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COC2CCOCC2)C[C@H]1c1ccccc1F	ZINC001079314664	902409222	/nfs/dbraw/zinc/40/92/22/902409222.db2.gz	FCHMJDAUIMSQBI-PKOBYXMFSA-N	1	0	360.429	1.539	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cncc(OC)n2)C[C@H]1c1ccccc1F	ZINC001079315021	902410607	/nfs/dbraw/zinc/41/06/07/902410607.db2.gz	XRCGXSBSWQUJLO-WMLDXEAASA-N	1	0	354.385	1.455	20	30		FDEDRO
CC1CC[NH+](CC(=O)N2C[C@@H](c3ccccc3F)[C@H](NCC#N)C2)CC1	ZINC001079316854	902413438	/nfs/dbraw/zinc/41/34/38/902413438.db2.gz	BBUIKXNLGFTBNE-PKOBYXMFSA-N	1	0	358.461	1.965	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cncc(C(N)=O)c2)C[C@H]1c1ccccc1F	ZINC001079321994	902424731	/nfs/dbraw/zinc/42/47/31/902424731.db2.gz	IFZIUSWIMKANGD-FUHWJXTLSA-N	1	0	366.396	1.151	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH]nc3C2)C[C@H]1c1ccccc1F	ZINC001079322403	902425889	/nfs/dbraw/zinc/42/58/89/902425889.db2.gz	RNXIDURECRDNRY-CFLQYTFWSA-N	1	0	366.440	1.871	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2noc3c2COCC3)C[C@H]1c1ccccc1F	ZINC001079322382	902425918	/nfs/dbraw/zinc/42/59/18/902425918.db2.gz	QTTZIBCUFGHRIS-WMLDXEAASA-N	1	0	369.396	1.717	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H](O)c2ccccc2F)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC001079592469	902873467	/nfs/dbraw/zinc/87/34/67/902873467.db2.gz	HUKSFMZMZUVCEX-PJSAGSTRSA-N	1	0	356.401	1.809	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[NH+]3CCC2CC3)c1	ZINC000996006856	902885281	/nfs/dbraw/zinc/88/52/81/902885281.db2.gz	GSBHXFNSDHOXEW-CVYDXHPNSA-N	1	0	367.453	1.090	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C#N)c[nH]1)C2	ZINC000996009412	902889869	/nfs/dbraw/zinc/88/98/69/902889869.db2.gz	XTPFWGJHDYEBFB-YQFWSFKMSA-N	1	0	355.442	1.232	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC001079601196	902900736	/nfs/dbraw/zinc/90/07/36/902900736.db2.gz	NDLHMPNELJAKCX-PIGZYNQJSA-N	1	0	350.382	1.673	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC2(C)C)C3)CC1	ZINC000996111111	903117098	/nfs/dbraw/zinc/11/70/98/903117098.db2.gz	XCARMWJOCBLICX-OWSLCNJRSA-N	1	0	357.498	1.626	20	30		FDEDRO
C[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001079710621	903121883	/nfs/dbraw/zinc/12/18/83/903121883.db2.gz	PWAJZSCASZSFQO-DUXKGJEZSA-N	1	0	351.494	1.816	20	30		FDEDRO
C[C@@H]1CN(Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001079726110	903143951	/nfs/dbraw/zinc/14/39/51/903143951.db2.gz	BUNONULNBSIANT-BCXHYRKLSA-N	1	0	358.461	1.974	20	30		FDEDRO
CCn1ccc(CC(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)n1	ZINC001079733889	903158869	/nfs/dbraw/zinc/15/88/69/903158869.db2.gz	UUZAQOAJHAIRQT-DNVCBOLYSA-N	1	0	351.454	1.954	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1CN(C(=O)C[N@H+](C)C(C)C)C1	ZINC001079854808	903517362	/nfs/dbraw/zinc/51/73/62/903517362.db2.gz	DKRWFKVBGTWBIQ-WMZOPIPTSA-N	1	0	351.491	1.367	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1CN(C(=O)C[N@@H+](C)CCC)C1	ZINC001079855178	903519208	/nfs/dbraw/zinc/51/92/08/903519208.db2.gz	QJSNVXIKSFMISS-WMZOPIPTSA-N	1	0	351.491	1.369	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1CN(C(=O)CCC[NH+](C)C)C1	ZINC001079855181	903520219	/nfs/dbraw/zinc/52/02/19/903520219.db2.gz	QQPRKSBOZRRZLR-WMZOPIPTSA-N	1	0	351.491	1.369	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1	ZINC000996314735	903679904	/nfs/dbraw/zinc/67/99/04/903679904.db2.gz	NALSSGGDWSMWMC-FGTMMUONSA-N	1	0	361.486	1.169	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]([NH2+]CCn2nc(C)cc2C)C(C)(C)C1	ZINC000996331194	903711564	/nfs/dbraw/zinc/71/15/64/903711564.db2.gz	PFLHNNNYFGPUMW-SQNIBIBYSA-N	1	0	360.502	1.918	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccc(OC)nn2)C(C)(C)C1	ZINC000996330915	903712131	/nfs/dbraw/zinc/71/21/31/903712131.db2.gz	NXDJHXSJJCZVBP-PMPSAXMXSA-N	1	0	360.458	1.403	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(C#N)c[nH]1	ZINC000996404979	903866018	/nfs/dbraw/zinc/86/60/18/903866018.db2.gz	WSUJDUIPGAPOMJ-MXSMSXNCSA-N	1	0	369.469	1.621	20	30		FDEDRO
CC(=O)NCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccc(C#N)c1)CC2	ZINC001107255091	904153153	/nfs/dbraw/zinc/15/31/53/904153153.db2.gz	QVTLXCMVFXQASU-UYAOXDASSA-N	1	0	354.454	1.555	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@@]3(CNC(=O)CSC)CCC[C@@H]23)C1=O	ZINC001107271254	904252473	/nfs/dbraw/zinc/25/24/73/904252473.db2.gz	VNSWWFAZXOXBAI-IIDMSEBBSA-N	1	0	351.516	1.497	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3ccco3)CCC[C@@H]12	ZINC001107280441	904279305	/nfs/dbraw/zinc/27/93/05/904279305.db2.gz	XYFSZQLOOYCEIG-YLJYHZDGSA-N	1	0	357.454	1.322	20	30		FDEDRO
CC(C)SCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107291126	904363664	/nfs/dbraw/zinc/36/36/64/904363664.db2.gz	KXXLVOLCQUEQLW-RHSMWYFYSA-N	1	0	352.504	1.129	20	30		FDEDRO
Cc1nnsc1C[N@@H+]1CC[C@@]2(CNC(=O)CSCC#N)CCC[C@@H]12	ZINC001107291137	904365146	/nfs/dbraw/zinc/36/51/46/904365146.db2.gz	LBNJEYOAZMGTSO-GDBMZVCRSA-N	1	0	365.528	1.964	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCCO3)CCC[C@@H]12	ZINC001107292700	904372434	/nfs/dbraw/zinc/37/24/34/904372434.db2.gz	LPDPYHCOBGRXTR-SQGPQFPESA-N	1	0	363.502	1.609	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3CCCCCC3)CCC[C@@H]12	ZINC001107319871	904448511	/nfs/dbraw/zinc/44/85/11/904448511.db2.gz	UAMPNCHFUAKSNV-YLJYHZDGSA-N	1	0	360.502	1.957	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccoc3Cl)CCC[C@@H]12	ZINC001107377242	904614284	/nfs/dbraw/zinc/61/42/84/904614284.db2.gz	BSWUWEXNPRBKMG-CXAGYDPISA-N	1	0	364.833	1.547	20	30		FDEDRO
C#CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCCS(=O)(=O)CC)CC2	ZINC001107383660	904656072	/nfs/dbraw/zinc/65/60/72/904656072.db2.gz	BAZOXKIGOJZPRB-IEBWSBKVSA-N	1	0	368.543	1.976	20	30		FDEDRO
CCS(=O)(=O)CCC[N@@H+]1CC[C@@]2(CNC(=O)C#CC3CC3)CCC[C@@H]12	ZINC001107400081	904731996	/nfs/dbraw/zinc/73/19/96/904731996.db2.gz	YYNOFFFRWYCLOH-IEBWSBKVSA-N	1	0	366.527	1.585	20	30		FDEDRO
C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cc3n(n1)CCC3)CC2	ZINC001107402537	904739203	/nfs/dbraw/zinc/73/92/03/904739203.db2.gz	OAKXFWRPIBRGBC-OZOXKJRCSA-N	1	0	370.497	1.728	20	30		FDEDRO
C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(C)C(C)C)CC2	ZINC001107404558	904747515	/nfs/dbraw/zinc/74/75/15/904747515.db2.gz	ADIMSXZHZCNDTK-YLJYHZDGSA-N	1	0	363.502	1.254	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CC3(CS(C)(=O)=O)CC3)CCC[C@@H]12	ZINC001107409497	904771576	/nfs/dbraw/zinc/77/15/76/904771576.db2.gz	VKGMRXGMESLLKX-VQIMIIECSA-N	1	0	366.527	1.585	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](OCC)C(C)C)CCC[C@@H]12	ZINC001107401172	904775633	/nfs/dbraw/zinc/77/56/33/904775633.db2.gz	AIHADEJXLZBNSQ-IMFGXOCKSA-N	1	0	365.518	1.711	20	30		FDEDRO
C[C@]1(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)CC=CCC1	ZINC001107419258	904797988	/nfs/dbraw/zinc/79/79/88/904797988.db2.gz	NSNRWGSVWUAHNK-LSTHTHJFSA-N	1	0	358.486	1.733	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)NS(=O)(=O)CC)CCC[C@@H]12	ZINC001107415136	904826427	/nfs/dbraw/zinc/82/64/27/904826427.db2.gz	YGHUUGLUIYYBTG-JFIYKMOQSA-N	1	0	371.547	1.641	20	30		FDEDRO
C=C(C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@@H](O)Cn1cccn1)CC2	ZINC001107424452	904832104	/nfs/dbraw/zinc/83/21/04/904832104.db2.gz	OPPFRSKIIMMTTH-QWFCFKBJSA-N	1	0	360.502	1.961	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1	ZINC000764497570	904870413	/nfs/dbraw/zinc/87/04/13/904870413.db2.gz	AGBKUQFGNOYVAR-UHFFFAOYSA-N	1	0	360.458	1.038	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3c(C)nnn3CC)CCC[C@@H]12	ZINC001107433175	904888202	/nfs/dbraw/zinc/88/82/02/904888202.db2.gz	RSXFVQWQKUESSI-VQIMIIECSA-N	1	0	361.490	1.783	20	30		FDEDRO
C#CCC1(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NC2CC2)CC3)CCC1	ZINC001107433268	904890048	/nfs/dbraw/zinc/89/00/48/904890048.db2.gz	WTLILXPOPAZZIT-DYESRHJHSA-N	1	0	357.498	1.819	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CC3CS(=O)(=O)C3)CCC[C@@H]12	ZINC001107458804	904977989	/nfs/dbraw/zinc/97/79/89/904977989.db2.gz	LNQUZLPTWZPJJU-SJLPKXTDSA-N	1	0	354.516	1.748	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)[C@H](OC)C1	ZINC001081699552	904980223	/nfs/dbraw/zinc/98/02/23/904980223.db2.gz	CKGXRZNISPBGEK-FGTMMUONSA-N	1	0	361.490	1.572	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cnn2cccnc12	ZINC001080242030	904987728	/nfs/dbraw/zinc/98/77/28/904987728.db2.gz	DGPKPAUQZUFJIS-RDTXWAMCSA-N	1	0	360.421	1.851	20	30		FDEDRO
CCc1cccnc1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107457830	905029186	/nfs/dbraw/zinc/02/91/86/905029186.db2.gz	RJUHHSVDKYOZEI-OXQOHEQNSA-N	1	0	369.469	1.258	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(=O)n(C)c3)CCC[C@@H]12	ZINC001107461019	905061648	/nfs/dbraw/zinc/06/16/48/905061648.db2.gz	RCLAPQMOIQUPJE-YLJYHZDGSA-N	1	0	357.454	1.010	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CCC[C@@H]12	ZINC001107477010	905145143	/nfs/dbraw/zinc/14/51/43/905145143.db2.gz	ZFKJTGLFPLPCDB-XPKBPACGSA-N	1	0	358.482	1.420	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nc(=O)n(C)[nH]1)CC2	ZINC001107497122	905204919	/nfs/dbraw/zinc/20/49/19/905204919.db2.gz	SGBLFUBJFRNRLR-AUUYWEPGSA-N	1	0	361.490	1.572	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(F)ccc3C)CCC[C@@H]12	ZINC001107489053	905215436	/nfs/dbraw/zinc/21/54/36/905215436.db2.gz	KATOREZALDEKFN-WIYYLYMNSA-N	1	0	371.456	1.858	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCN(S(C)(=O)=O)C3)C[C@H]2C)C1	ZINC001080406352	905368088	/nfs/dbraw/zinc/36/80/88/905368088.db2.gz	REXLCNLFWSWKGG-BZUAXINKSA-N	1	0	369.531	1.061	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(=O)NC)CC2	ZINC001107531875	905396039	/nfs/dbraw/zinc/39/60/39/905396039.db2.gz	GSEKLSJROHTXFM-NIKGAXFTSA-N	1	0	364.490	1.405	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(Cc3ccc(F)c(C#N)c3)C[C@H]2C)C1	ZINC001080446866	905450661	/nfs/dbraw/zinc/45/06/61/905450661.db2.gz	RZVROAQYHPKVQH-SPYBWZPUSA-N	1	0	358.461	1.976	20	30		FDEDRO
N#CCN1CC[NH+](C2CCC(NC(=O)[C@]34CCC[C@H]3OCC4)CC2)CC1	ZINC000996782052	905490615	/nfs/dbraw/zinc/49/06/15/905490615.db2.gz	FZKOWNMYKQDJKH-ZZVGESKWSA-N	1	0	360.502	1.514	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1C	ZINC001080470927	905491425	/nfs/dbraw/zinc/49/14/25/905491425.db2.gz	FEQZWUBYAZXMJZ-PILAGYSTSA-N	1	0	357.454	1.313	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)CS(=O)(=O)N(CC)CC)CCC[C@@H]12	ZINC001107563851	905605271	/nfs/dbraw/zinc/60/52/71/905605271.db2.gz	XLUGTCQKWGUUBV-SJLPKXTDSA-N	1	0	371.547	1.595	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(N(CC)C(=O)CC[N@H+](C)CC)C1	ZINC001080534502	905633870	/nfs/dbraw/zinc/63/38/70/905633870.db2.gz	BJMKQZRFKIUEOB-HKUYNNGSSA-N	1	0	365.518	1.759	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@]3(CNC(=O)Cc4c[nH]cn4)CCC[C@@H]23)C1=O	ZINC001107562234	905638881	/nfs/dbraw/zinc/63/88/81/905638881.db2.gz	ZZKFCWSFMNLEHW-MBOZVWFJSA-N	1	0	371.485	1.100	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](NC(=O)COC)C(C)C)CCC[C@@H]12	ZINC001107571146	905650605	/nfs/dbraw/zinc/65/06/05/905650605.db2.gz	UJRXQRJMKPYYCF-HHXXYDBFSA-N	1	0	351.491	1.320	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)CNC(=O)c1ccc2c(c1)OCO2	ZINC000764792730	905696920	/nfs/dbraw/zinc/69/69/20/905696920.db2.gz	WCKOARXVBZNKJZ-CQSZACIVSA-N	1	0	360.410	1.422	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2	ZINC001107574164	905722098	/nfs/dbraw/zinc/72/20/98/905722098.db2.gz	QMONEJPXMOOTBN-HLNWXESRSA-N	1	0	366.502	1.337	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@H](CC)[NH+](CC)CC)C1	ZINC001080574636	905725814	/nfs/dbraw/zinc/72/58/14/905725814.db2.gz	KREVUNUYLZCESM-SQNIBIBYSA-N	1	0	365.518	1.757	20	30		FDEDRO
N#Cc1cccc(C[NH2+]C2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2)c1	ZINC000996826893	905771044	/nfs/dbraw/zinc/77/10/44/905771044.db2.gz	XFRXCKBFFZFBNI-YSIASYRMSA-N	1	0	369.465	1.690	20	30		FDEDRO
C=C(Br)C[NH2+]C1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1	ZINC000996826942	905771134	/nfs/dbraw/zinc/77/11/34/905771134.db2.gz	XUFVHRGDHTWGDQ-AEGPPILISA-N	1	0	373.291	1.527	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)COc3cccnc3)CCC[C@@H]12	ZINC001107579428	905785348	/nfs/dbraw/zinc/78/53/48/905785348.db2.gz	ISNSSNZSCQLHIJ-UYAOXDASSA-N	1	0	357.454	1.471	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc(CCC(N)=O)cc2)[C@H](OC)C1	ZINC001082118426	905837410	/nfs/dbraw/zinc/83/74/10/905837410.db2.gz	YEDSXJZVLBNHOG-QZTJIDSGSA-N	1	0	359.470	1.500	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ncoc3C3CC3)CCC[C@@H]12	ZINC001107596736	905855822	/nfs/dbraw/zinc/85/58/22/905855822.db2.gz	LVALBVMLLHZJNH-FOIQADDNSA-N	1	0	370.453	1.276	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1	ZINC001082134765	905938963	/nfs/dbraw/zinc/93/89/63/905938963.db2.gz	BVIHCWUQIRSQBG-ATZDWAIDSA-N	1	0	356.470	1.215	20	30		FDEDRO
CO[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1	ZINC001082135009	905941456	/nfs/dbraw/zinc/94/14/56/905941456.db2.gz	LQBSKPLSFINEBC-DFQSSKMNSA-N	1	0	355.482	1.195	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCCC)CC3)nc1	ZINC001107610413	905969785	/nfs/dbraw/zinc/96/97/85/905969785.db2.gz	YTWYITPBEIPKSC-WIYYLYMNSA-N	1	0	368.481	1.564	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)c3ccccc3)CCC[C@@H]12	ZINC001107616910	906011205	/nfs/dbraw/zinc/01/12/05/906011205.db2.gz	QTESZWVOPSWKPM-WIYYLYMNSA-N	1	0	353.466	1.801	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3nc4ncccn4n3)CCC[C@@H]12	ZINC001107631755	906079929	/nfs/dbraw/zinc/07/99/29/906079929.db2.gz	CTIOTULISZGRCY-OXQOHEQNSA-N	1	0	368.485	1.994	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1CCc2n[nH]nc2C1	ZINC001080772640	906211522	/nfs/dbraw/zinc/21/15/22/906211522.db2.gz	BYNUFRGYVWBHOC-VVFCZOMOSA-N	1	0	364.453	1.418	20	30		FDEDRO
C=CCCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCNC(=O)C1CC1)CC2	ZINC001107650456	906224783	/nfs/dbraw/zinc/22/47/83/906224783.db2.gz	CTVWEIKHPJUTBA-YLJYHZDGSA-N	1	0	363.502	1.466	20	30		FDEDRO
C=CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC1CC1)CC2	ZINC001107650541	906225556	/nfs/dbraw/zinc/22/55/56/906225556.db2.gz	DORLAVWDUXIAJB-WRWLIDTKSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCCCC)CC2	ZINC001107651017	906230261	/nfs/dbraw/zinc/23/02/61/906230261.db2.gz	PGWQDYSSDYXDDZ-SQGPQFPESA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCc1cnn(C)c1)CC2	ZINC001107649392	906282280	/nfs/dbraw/zinc/28/22/80/906282280.db2.gz	WUXKGKXPWUFQOF-UYAOXDASSA-N	1	0	360.502	1.916	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C(N)=O)cc3)C[C@H]2C)nc1	ZINC001080808202	906296175	/nfs/dbraw/zinc/29/61/75/906296175.db2.gz	OCFUJJLNLLARPL-AUUYWEPGSA-N	1	0	362.433	1.412	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1ccc(N(C)C)nn1	ZINC001080796775	906344659	/nfs/dbraw/zinc/34/46/59/906344659.db2.gz	QEIXUXBFIZWQRQ-RDTXWAMCSA-N	1	0	364.453	1.665	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccn(C(C)C)n1)C2	ZINC001112538962	906522042	/nfs/dbraw/zinc/52/20/42/906522042.db2.gz	DDJAOIBQHIVSAR-PXNSSMCTSA-N	1	0	358.486	1.946	20	30		FDEDRO
C=CCCCC(=O)N1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001080877626	906563569	/nfs/dbraw/zinc/56/35/69/906563569.db2.gz	FXFRUHJMOREOGE-HZPDHXFCSA-N	1	0	351.491	1.153	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@@H]1C[N@@H+](C[C@@H](CC)OC)C[C@H]1OC	ZINC001082317383	906758078	/nfs/dbraw/zinc/75/80/78/906758078.db2.gz	CWFBZUUWZNHMAI-BFYDXBDKSA-N	1	0	363.458	1.500	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1OC	ZINC001082316555	906759921	/nfs/dbraw/zinc/75/99/21/906759921.db2.gz	WKKAHAQWFUWIDE-BFYDXBDKSA-N	1	0	361.442	1.112	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCc3cccs3)C[C@H]2OC)nc1	ZINC001082333476	906826759	/nfs/dbraw/zinc/82/67/59/906826759.db2.gz	KOPKXOSNBXJEMM-QZTJIDSGSA-N	1	0	355.463	1.796	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C)N2C(=O)CCC2=O)C[C@H]1c1ccccc1	ZINC001081123424	907183376	/nfs/dbraw/zinc/18/33/76/907183376.db2.gz	SOVICDCVHDMFAB-RYQLBKOJSA-N	1	0	369.465	1.684	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCN2CCCC2=O)C1	ZINC001081114514	907212202	/nfs/dbraw/zinc/21/22/02/907212202.db2.gz	DMGKOGXXNCTRMW-VQTJNVASSA-N	1	0	365.477	1.606	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)N2CCCCC2=O)C[C@H]1c1ccccc1	ZINC001081116874	907222468	/nfs/dbraw/zinc/22/24/68/907222468.db2.gz	FDRWWCFVXZORCG-YZGWKJHDSA-N	1	0	367.493	1.995	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3nnc(C)n3c2)C[C@H]1c1ccccc1	ZINC001081137547	907240600	/nfs/dbraw/zinc/24/06/00/907240600.db2.gz	CLRCNDBPZOIYLL-RBUKOAKNSA-N	1	0	359.433	1.869	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(=O)c(OC)co2)C[C@H]1c1ccccc1	ZINC001081146349	907257773	/nfs/dbraw/zinc/25/77/73/907257773.db2.gz	GGSLPTZXMZEWQD-JKSUJKDBSA-N	1	0	352.390	1.479	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C[C@H]1c1ccccc1	ZINC001081151701	907266102	/nfs/dbraw/zinc/26/61/02/907266102.db2.gz	PSXFDGXCPYVGLN-VNTMZGSJSA-N	1	0	371.481	1.392	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3cnn(C)c3C2)C[C@H]1c1ccccc1	ZINC001081168185	907290701	/nfs/dbraw/zinc/29/07/01/907290701.db2.gz	KTOARGCGXGQDEH-YSIASYRMSA-N	1	0	362.477	1.742	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccnc3c2ncn3C)C[C@H]1c1ccccc1	ZINC001081178657	907348876	/nfs/dbraw/zinc/34/88/76/907348876.db2.gz	RBBSDISXSNLTHP-ZWKOTPCHSA-N	1	0	359.433	1.799	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)C2CCN(C(=O)CCC)CC2)[C@H](OC)C1	ZINC001082382393	907363425	/nfs/dbraw/zinc/36/34/25/907363425.db2.gz	BJBAKOQMSQHTSK-IAGOWNOFSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN2C(=O)C(C)C)[C@H](OC)C1	ZINC001082382558	907365686	/nfs/dbraw/zinc/36/56/86/907365686.db2.gz	KCVURHYQONIMCO-FGTMMUONSA-N	1	0	365.518	1.805	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(CC)n2)C[C@H]1c1ccccc1	ZINC001081198614	907382497	/nfs/dbraw/zinc/38/24/97/907382497.db2.gz	OTHNMYIQWZIQDZ-FUHWJXTLSA-N	1	0	350.422	1.094	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1OC	ZINC001082384765	907395154	/nfs/dbraw/zinc/39/51/54/907395154.db2.gz	KSPQEQNWIHDXLE-NJDAHSKKSA-N	1	0	369.509	1.728	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccnc(-n3cncn3)c2)[C@H](OC)C1	ZINC001082395212	907489564	/nfs/dbraw/zinc/48/95/64/907489564.db2.gz	DTMLGIBGYQEGHL-HZPDHXFCSA-N	1	0	356.430	1.058	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=NOCC(=O)N2CCOC[C@@H]2C2CC2)cc1	ZINC000765535274	907500728	/nfs/dbraw/zinc/50/07/28/907500728.db2.gz	OVIIJUBJLILCSJ-QGZVFWFLSA-N	1	0	360.458	1.023	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2C)C[C@H]1C	ZINC001082424844	907656870	/nfs/dbraw/zinc/65/68/70/907656870.db2.gz	GACUUYODHAHXQY-FZKQIMNGSA-N	1	0	367.453	1.859	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cnsn3)C[C@H]2C)cc1C#N	ZINC001082436066	907716875	/nfs/dbraw/zinc/71/68/75/907716875.db2.gz	ATNGKUVWPJOXKL-IAQYHMDHSA-N	1	0	357.439	1.669	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCN(C(=O)C(C)(C)C)CC2)C1	ZINC001082450652	907727930	/nfs/dbraw/zinc/72/79/30/907727930.db2.gz	CXQHLWDUZUVIJH-BFYDXBDKSA-N	1	0	362.518	1.867	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082452969	907742951	/nfs/dbraw/zinc/74/29/51/907742951.db2.gz	ZPTCNCLQLJXCIR-IAQYHMDHSA-N	1	0	354.389	1.320	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3nccnc3N)C[C@H]2C)cc1C#N	ZINC001082452963	907742963	/nfs/dbraw/zinc/74/29/63/907742963.db2.gz	YVSQLVIHZKQFSE-IUODEOHRSA-N	1	0	366.425	1.189	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cc(C)n(C)n3)C[C@H]2C)cc1C#N	ZINC001082438465	907765482	/nfs/dbraw/zinc/76/54/82/907765482.db2.gz	AFAYMYIURUOYHB-FZKQIMNGSA-N	1	0	367.453	1.859	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCc3ccccc3C2)C1	ZINC001082448161	907812841	/nfs/dbraw/zinc/81/28/41/907812841.db2.gz	GLBQRPIXZOLJCD-HDMKZQKVSA-N	1	0	354.454	1.167	20	30		FDEDRO
Cc1nnc(CN[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)n1C1CC1	ZINC001082464407	907898344	/nfs/dbraw/zinc/89/83/44/907898344.db2.gz	NKPIZELFVAFHQP-BDJLRTHQSA-N	1	0	353.430	1.372	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1[NH2+]CC(=O)N1CCCC[C@@H]1C	ZINC001082483517	907905646	/nfs/dbraw/zinc/90/56/46/907905646.db2.gz	LQSNEIGKJDYZLV-JKIFEVAISA-N	1	0	357.458	1.337	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1[NH2+]Cc1cccc2c1OCCO2	ZINC001082483749	907907499	/nfs/dbraw/zinc/90/74/99/907907499.db2.gz	HDRJKGSDSVIAQO-CXAGYDPISA-N	1	0	366.421	1.908	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2COC(=O)C2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082474455	907929233	/nfs/dbraw/zinc/92/92/33/907929233.db2.gz	NMARMWJVLJFLJK-PBFPGSCMSA-N	1	0	359.401	1.587	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3sccc3F)C[C@H]2C)C1=O	ZINC001082500824	908088809	/nfs/dbraw/zinc/08/88/09/908088809.db2.gz	XUXKCQVZNVCHKD-KWCYVHTRSA-N	1	0	351.447	1.724	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]Cc1nnc(-c2ccccc2)n1C	ZINC001082504695	908116189	/nfs/dbraw/zinc/11/61/89/908116189.db2.gz	YYFQNUFGKZPMLO-CRAIPNDOSA-N	1	0	363.465	1.832	20	30		FDEDRO
COc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(C#N)ccc3F)C2)ncn1	ZINC001082514877	908177848	/nfs/dbraw/zinc/17/78/48/908177848.db2.gz	KGXOGNMHEXOTRV-SJKOYZFVSA-N	1	0	369.400	1.746	20	30		FDEDRO
CCn1ccc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)n1	ZINC001082523347	908240128	/nfs/dbraw/zinc/24/01/28/908240128.db2.gz	LTDFTIWDKBSSRY-DNVCBOLYSA-N	1	0	351.454	1.954	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3cc(C)ccc3C)C[C@H]2O)nn1	ZINC001077801056	908297394	/nfs/dbraw/zinc/29/73/94/908297394.db2.gz	AMVWPTLOVRBOAH-KVSKMBFKSA-N	1	0	369.469	1.617	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CCCCO2)CC1	ZINC000997356950	908311044	/nfs/dbraw/zinc/31/10/44/908311044.db2.gz	HLQYIZDWLIJERK-YDZRNGNQSA-N	1	0	373.497	1.149	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cscn2)CC1	ZINC000997358098	908314728	/nfs/dbraw/zinc/31/47/28/908314728.db2.gz	WLIQBPZMNRDDIJ-VYDXJSESSA-N	1	0	372.494	1.350	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)CCc2ccncn2)C[C@H]1C	ZINC001082538393	908350831	/nfs/dbraw/zinc/35/08/31/908350831.db2.gz	YIUGXAVGEFCGPO-BXUZGUMPSA-N	1	0	353.264	1.754	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cccc(C)c3F)C[C@H]2C)C1=O	ZINC001082526966	908370357	/nfs/dbraw/zinc/37/03/57/908370357.db2.gz	HMSAWNXRAIKYHF-HYVNUMGLSA-N	1	0	359.445	1.971	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=O)CNCc2csc(C#N)c2)CC1	ZINC000921577655	908414031	/nfs/dbraw/zinc/41/40/31/908414031.db2.gz	JPTFNTBKYXOTKR-UHFFFAOYSA-N	1	0	364.471	1.789	20	30		FDEDRO
CCN1C[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)CC1=O	ZINC001082543323	908422910	/nfs/dbraw/zinc/42/29/10/908422910.db2.gz	PQEXCWVWOADNOF-FHLIZLRMSA-N	1	0	354.454	1.363	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@H](C)CNC(=O)OC(C)(C)C)CC1	ZINC000921595957	908550540	/nfs/dbraw/zinc/55/05/40/908550540.db2.gz	IVTGNJZFEBTMEE-AWEZNQCLSA-N	1	0	352.479	1.544	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2scnc2C)C1	ZINC001082568591	908711510	/nfs/dbraw/zinc/71/15/10/908711510.db2.gz	GFAZZUKQAAEKMV-OIISXLGYSA-N	1	0	360.527	1.528	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082569059	908715034	/nfs/dbraw/zinc/71/50/34/908715034.db2.gz	IGFUQZYWJJHCJB-SJKOYZFVSA-N	1	0	369.400	1.041	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1	ZINC001082578766	908763965	/nfs/dbraw/zinc/76/39/65/908763965.db2.gz	HXNHSFBDDFBQSU-MEBBXXQBSA-N	1	0	357.389	1.685	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082580799	908782629	/nfs/dbraw/zinc/78/26/29/908782629.db2.gz	FZVATRBIRLLDEF-CSMYWGQOSA-N	1	0	358.417	1.303	20	30		FDEDRO
Cc1cc(OCC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)no1	ZINC001082573471	908811550	/nfs/dbraw/zinc/81/15/50/908811550.db2.gz	SXZXZIMIWZCWFF-CXAGYDPISA-N	1	0	354.410	1.870	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCNC(=O)C2)C[C@H]1C	ZINC001082589955	908844850	/nfs/dbraw/zinc/84/48/50/908844850.db2.gz	VRBNDDRMQOBPCJ-HCKVZZMMSA-N	1	0	358.280	1.248	20	30		FDEDRO
CCOc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)[nH]n1	ZINC001082585055	908895344	/nfs/dbraw/zinc/89/53/44/908895344.db2.gz	DMEMOPFFQARLMB-CXAGYDPISA-N	1	0	353.426	1.930	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn3cccnc3n2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082616861	909071803	/nfs/dbraw/zinc/07/18/03/909071803.db2.gz	DTOFCLXFMHXBQZ-RHSMWYFYSA-N	1	0	360.421	1.851	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1OC)OCC	ZINC001212355072	909073588	/nfs/dbraw/zinc/07/35/88/909073588.db2.gz	SEGFQJCMUVDLFA-GUDVDZBRSA-N	1	0	368.518	1.990	20	30		FDEDRO
Cc1nnccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1	ZINC001082620574	909123917	/nfs/dbraw/zinc/12/39/17/909123917.db2.gz	DYIYJUFARDGIEH-AUUYWEPGSA-N	1	0	365.437	1.938	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cccc3ncnn32)C[C@H]1C	ZINC001082622251	909135127	/nfs/dbraw/zinc/13/51/27/909135127.db2.gz	HBGXCBKWTDIWLT-ZYHUDNBSSA-N	1	0	364.247	1.688	20	30		FDEDRO
COc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)nn1C	ZINC001082634234	909202857	/nfs/dbraw/zinc/20/28/57/909202857.db2.gz	QHNIOULKXLXYQE-CXAGYDPISA-N	1	0	353.426	1.551	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082652969	909366383	/nfs/dbraw/zinc/36/63/83/909366383.db2.gz	JPTRJVDZZLWLJV-MLGOLLRUSA-N	1	0	369.400	1.041	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2ccn3nnnc3c2)C[C@H]1C	ZINC001082681321	909594221	/nfs/dbraw/zinc/59/42/21/909594221.db2.gz	KUHGBJFTUARLEZ-BXKDBHETSA-N	1	0	365.235	1.083	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccn3nnnc3c2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082681354	909596137	/nfs/dbraw/zinc/59/61/37/909596137.db2.gz	MPZZNNHBWDFOOT-IAQYHMDHSA-N	1	0	367.438	1.308	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCC[C@H](C)C3)C2)c1	ZINC001082730361	909864620	/nfs/dbraw/zinc/86/46/20/909864620.db2.gz	QEGPXRGJYZJRAW-FRQCXROJSA-N	1	0	368.481	1.372	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCn3c(C)csc3=O)C2)c1	ZINC001082730457	909866538	/nfs/dbraw/zinc/86/65/38/909866538.db2.gz	WAAGUZGBMDAXNV-CXAGYDPISA-N	1	0	370.478	1.345	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)co2)C[C@H]1C	ZINC001082734620	909901934	/nfs/dbraw/zinc/90/19/34/909901934.db2.gz	QXKSRDUQAHEQLR-LDYMZIIASA-N	1	0	356.220	1.337	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C(F)F)nc2)[C@H](OC)C1	ZINC001212381620	909966331	/nfs/dbraw/zinc/96/63/31/909966331.db2.gz	AYXKSCJPZZRHDR-HUUCEWRRSA-N	1	0	355.385	1.651	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cc(Cl)cn2)C1	ZINC001082751879	909998276	/nfs/dbraw/zinc/99/82/76/909998276.db2.gz	DTZMYCHRFQWJAP-MIGQKNRLSA-N	1	0	352.866	1.564	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csnc2OC)C1	ZINC001082752201	909999545	/nfs/dbraw/zinc/99/95/45/909999545.db2.gz	WJADWMDISUCRLG-NGFQHRJXSA-N	1	0	351.472	1.679	20	30		FDEDRO
CCCN1C[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)CC1=O	ZINC001082772142	910087849	/nfs/dbraw/zinc/08/78/49/910087849.db2.gz	BHZYMYXRACTDIN-ATZDWAIDSA-N	1	0	368.481	1.753	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C)C2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082788195	910170920	/nfs/dbraw/zinc/17/09/20/910170920.db2.gz	CADXBKVEUCIECS-FRQCXROJSA-N	1	0	368.481	1.753	20	30		FDEDRO
COCc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)no1	ZINC001082789294	910178122	/nfs/dbraw/zinc/17/81/22/910178122.db2.gz	ZFGWMXYNVCAUDA-FZKQIMNGSA-N	1	0	354.410	1.943	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[C@H]3CCC(=O)N3)C[C@H]2C)cc1C#N	ZINC001082802950	910228010	/nfs/dbraw/zinc/22/80/10/910228010.db2.gz	ZSOCUURUNVXFON-KBRIMQKVSA-N	1	0	370.453	1.172	20	30		FDEDRO
C#Cc1cncc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C3)c1	ZINC000998074573	910295113	/nfs/dbraw/zinc/29/51/13/910295113.db2.gz	DPACWVXLKFMTIW-XWSJACJDSA-N	1	0	366.465	1.409	20	30		FDEDRO
N#Cc1cc(C[NH2+]CC2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)ccc1F	ZINC000998083245	910312699	/nfs/dbraw/zinc/31/26/99/910312699.db2.gz	HRAGXBQDYBVEDO-CVEARBPZSA-N	1	0	358.417	1.147	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ncnn2C(C)C)CC1	ZINC000998095076	910324707	/nfs/dbraw/zinc/32/47/07/910324707.db2.gz	PJYDXKWFOJGWLR-SJORKVTESA-N	1	0	361.490	1.778	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+][C@H]2CCN(C(C)C)C2=O)CC1	ZINC000998094152	910330591	/nfs/dbraw/zinc/33/05/91/910330591.db2.gz	GLVOPYMODSXECU-SQNIBIBYSA-N	1	0	363.502	1.415	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(OC)ns3)C2)nc1	ZINC001082869094	910511139	/nfs/dbraw/zinc/51/11/39/910511139.db2.gz	OZJIXAZVJKZDBG-MLGOLLRUSA-N	1	0	356.451	1.778	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2c(OC)cc[nH]c2=O)C[C@H]1C	ZINC001082865741	910545861	/nfs/dbraw/zinc/54/58/61/910545861.db2.gz	XXULBRGRVDRUNC-MWLCHTKSSA-N	1	0	370.247	1.755	20	30		FDEDRO
Cc1ccc(=O)n(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)n1	ZINC001082875036	910573224	/nfs/dbraw/zinc/57/32/24/910573224.db2.gz	SMGMFQRUKCPYAG-RDTXWAMCSA-N	1	0	365.437	1.060	20	30		FDEDRO
N#C[C@H](C(=O)CN1CC[C@@H]([NH+]2CCCC2)C1)c1nc2ccccc2c(=O)[nH]1	ZINC000727158969	910580716	/nfs/dbraw/zinc/58/07/16/910580716.db2.gz	CQHMNGWTLJSGHU-GDBMZVCRSA-N	1	0	365.437	1.682	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3sccc3OC)C[C@H]2C)C1=O	ZINC001082875787	910590889	/nfs/dbraw/zinc/59/08/89/910590889.db2.gz	LINUGNKWTCBJSN-MGPQQGTHSA-N	1	0	363.483	1.594	20	30		FDEDRO
Cn1ccnc1C=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000727253276	910648020	/nfs/dbraw/zinc/64/80/20/910648020.db2.gz	CLXRNYRXGPSPGA-UHFFFAOYSA-N	1	0	356.499	1.883	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(N)=O)cc2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082914346	910835355	/nfs/dbraw/zinc/83/53/55/910835355.db2.gz	IYQRNGXZOZOWBP-AUUYWEPGSA-N	1	0	362.433	1.907	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3nncn3C2)C[C@H]1C	ZINC001082939088	910999260	/nfs/dbraw/zinc/99/92/60/910999260.db2.gz	AGPQIUJORJLXMD-RAIGVLPGSA-N	1	0	368.279	1.186	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NCc3ncc(CC)o3)C2)CC1	ZINC001082941579	911017387	/nfs/dbraw/zinc/01/73/87/911017387.db2.gz	YLZZNALGLCFRIY-CRAIPNDOSA-N	1	0	358.486	1.519	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccc(C)nc3C)C[C@H]2C)C1=O	ZINC001082938346	911025056	/nfs/dbraw/zinc/02/50/56/911025056.db2.gz	JRYBVWBKPFLWJW-JEBQAFNWSA-N	1	0	356.470	1.535	20	30		FDEDRO
C[C@H](C#N)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CC[NH+](C)C)C2	ZINC000998544957	911201527	/nfs/dbraw/zinc/20/15/27/911201527.db2.gz	UJZMUCXDOMQZSE-JZGRTCEGSA-N	1	0	368.481	1.812	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C(N)=O)ccn2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082966660	911210074	/nfs/dbraw/zinc/21/00/74/911210074.db2.gz	WOHXGHQHJDTJTM-BDJLRTHQSA-N	1	0	369.450	1.364	20	30		FDEDRO
C=CCn1cccc1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2	ZINC000998632420	911348287	/nfs/dbraw/zinc/34/82/87/911348287.db2.gz	RTWTZSWYFSIFNO-BDXSIMOUSA-N	1	0	370.497	1.878	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccnc(OC)n2)C1	ZINC000998787161	911668820	/nfs/dbraw/zinc/66/88/20/911668820.db2.gz	FJZOBHIVZOTAIB-BACDZXNISA-N	1	0	360.458	1.545	20	30		FDEDRO
CC[C@H](C(=O)N1CCO[C@@H]2CN(Cc3cccc(C#N)c3)C[C@@H]21)[NH+](C)C	ZINC001083119282	911925583	/nfs/dbraw/zinc/92/55/83/911925583.db2.gz	KWAWCCNSCZSHPI-CEXWTWQISA-N	1	0	356.470	1.310	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4c(c3)N(C)CCO4)[C@H]2C1	ZINC001083120667	911932641	/nfs/dbraw/zinc/93/26/41/911932641.db2.gz	XNBSDSFTZQSXHC-PKOBYXMFSA-N	1	0	357.454	1.617	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cn([C@@H]4CCOC4)nc3C)[C@H]2C1	ZINC001083081524	911944245	/nfs/dbraw/zinc/94/42/45/911944245.db2.gz	MXAFYEGRVSEQQH-BPQIPLTHSA-N	1	0	360.458	1.254	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CN(c4ccccn4)C[C@H]3C)[C@H]2C1	ZINC001083084240	911953556	/nfs/dbraw/zinc/95/35/56/911953556.db2.gz	GHOAAAFSNORSIY-AKHDSKFASA-N	1	0	370.497	1.642	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3CN(Cc4cccc(C#N)c4)C[C@@H]32)CC[N@@H+]1C	ZINC001083085873	911957497	/nfs/dbraw/zinc/95/74/97/911957497.db2.gz	QYYAARMAJKKALO-GEALJGNFSA-N	1	0	368.481	1.310	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(=O)[nH]c4ncn(C)c43)[C@H]2C1	ZINC001083102915	912026358	/nfs/dbraw/zinc/02/63/58/912026358.db2.gz	FYHOGNNPTXTGCE-LSDHHAIUSA-N	1	0	371.441	1.165	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)CCn3c(C)csc3=O)[C@H]2C1	ZINC001083105901	912044288	/nfs/dbraw/zinc/04/42/88/912044288.db2.gz	ZHEQPDTXLLIOTC-LSDHHAIUSA-N	1	0	351.472	1.096	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cnn4cccc(Cl)c34)[C@H]2C1	ZINC001083137441	912187727	/nfs/dbraw/zinc/18/77/27/912187727.db2.gz	AEVIAHPAOGXTSC-JKSUJKDBSA-N	1	0	358.829	1.536	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3C#N)C2)C1	ZINC000999185874	912200188	/nfs/dbraw/zinc/20/01/88/912200188.db2.gz	MHCIZEMQCRVYEM-ZTFGCOKTSA-N	1	0	354.454	1.554	20	30		FDEDRO
CCOCC[NH+]1CCN(Cc2nc3ccccc3c(=O)n2CC#N)CC1	ZINC000729994494	915926414	/nfs/dbraw/zinc/92/64/14/915926414.db2.gz	FZHXESMDEZVVLE-UHFFFAOYSA-N	1	0	355.442	1.074	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@@H](O)COc2cccc(F)c2)CC1	ZINC000730124755	916178113	/nfs/dbraw/zinc/17/81/13/916178113.db2.gz	FAUXSJXMBLYDNI-MRXNPFEDSA-N	1	0	351.422	1.515	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@H]3CC[N@H+](CCOC4CCC4)C[C@H]32)nn1	ZINC001084713370	916451171	/nfs/dbraw/zinc/45/11/71/916451171.db2.gz	YSBLFVFSGUINHQ-CRAIPNDOSA-N	1	0	359.474	1.570	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@@H]4CCC(=O)N4)[C@@H]3C2)c1	ZINC001084717050	916462378	/nfs/dbraw/zinc/46/23/78/916462378.db2.gz	HBQFHBSSOJNMEY-FGTMMUONSA-N	1	0	352.438	1.260	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCCN(C)C3=O)C[C@H]21	ZINC001084798147	917185332	/nfs/dbraw/zinc/18/53/32/917185332.db2.gz	BVNCFMPNMKYKSF-HSALFYBXSA-N	1	0	365.477	1.364	20	30		FDEDRO
C=C[C@H](C(=O)N1C[C@H]2CC[N@H+](CCn3cncn3)C[C@H]21)c1ccccc1	ZINC001084847413	917642472	/nfs/dbraw/zinc/64/24/72/917642472.db2.gz	UZDXHIQDCZTBNF-CEXWTWQISA-N	1	0	351.454	1.781	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4cc(C)n(C)n4)C[C@H]32)CC1	ZINC001084850915	917656644	/nfs/dbraw/zinc/65/66/44/917656644.db2.gz	CQUBNFWOPURZKY-UYAOXDASSA-N	1	0	369.513	1.106	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)c4ccc(=O)[nH]n4)C[C@@H]32)c1	ZINC001084883898	917971129	/nfs/dbraw/zinc/97/11/29/917971129.db2.gz	JUEGWNIRENUQPE-AEFFLSMTSA-N	1	0	363.421	1.790	20	30		FDEDRO
C=C(Br)CN1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]21	ZINC001084903495	918147847	/nfs/dbraw/zinc/14/78/47/918147847.db2.gz	FNKMLOPAGXFGRM-KFWWJZLASA-N	1	0	356.308	1.912	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CCC(=O)N4)C[C@@H]32)cc1	ZINC001084905041	918191497	/nfs/dbraw/zinc/19/14/97/918191497.db2.gz	QDVVETJDAHBIFL-KURKYZTESA-N	1	0	352.438	1.260	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)C4CC(F)(F)C4)C[C@@H]32)C1=O	ZINC001084917815	918273538	/nfs/dbraw/zinc/27/35/38/918273538.db2.gz	OTPQDCLLZUJLAB-IMJJTQAJSA-N	1	0	367.440	1.741	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3CC[N@H+](CCN4CCCC4=O)[C@H]3C2)c[nH]1	ZINC001084925646	918361266	/nfs/dbraw/zinc/36/12/66/918361266.db2.gz	NRCDYLXONPOQDT-PBHICJAKSA-N	1	0	355.442	1.045	20	30		FDEDRO
Cn1nccc1CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]21	ZINC001084921782	918363961	/nfs/dbraw/zinc/36/39/61/918363961.db2.gz	UEYSFONRAGTWTN-KDOFPFPSSA-N	1	0	352.442	1.399	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)C4=CCOCC4)C[C@@H]32)C1=O	ZINC001084926923	918404129	/nfs/dbraw/zinc/40/41/29/918404129.db2.gz	XYRCRLXMMZIXIW-JQHSSLGASA-N	1	0	359.470	1.043	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)CC4(O)CCC4)C[C@@H]32)C1=O	ZINC001084937077	918517190	/nfs/dbraw/zinc/51/71/90/918517190.db2.gz	NLJHXVNXFPXUMQ-BBWFWOEESA-N	1	0	361.486	1.001	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3coc(S(C)(=O)=O)c3)C[C@@H]21	ZINC001084944853	918624409	/nfs/dbraw/zinc/62/44/09/918624409.db2.gz	RUXVGDJMCNVEGI-HIFRSBDPSA-N	1	0	352.456	1.796	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCO[C@H]3c3nccn3C)C[C@@H]21	ZINC001084961557	918866571	/nfs/dbraw/zinc/86/65/71/918866571.db2.gz	NMCSTQBZVXLBDQ-AKHDSKFASA-N	1	0	370.497	1.834	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)c4cn[nH]c(=O)c4)C[C@@H]32)cc1	ZINC001084965613	918932676	/nfs/dbraw/zinc/93/26/76/918932676.db2.gz	FJRRDEWQSZNNTK-AEFFLSMTSA-N	1	0	363.421	1.790	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3nnc(-c4ccco4)n3)C[C@@H]21	ZINC001084977999	919054796	/nfs/dbraw/zinc/05/47/96/919054796.db2.gz	QVGMUAWAXASOPN-CVEARBPZSA-N	1	0	370.457	1.822	20	30		FDEDRO
Cc1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c(C)n1-c1ccc(C#N)cc1	ZINC000732150060	919150678	/nfs/dbraw/zinc/15/06/78/919150678.db2.gz	VSKHUAYMPAQHKJ-LJQANCHMSA-N	1	0	365.481	1.941	20	30		FDEDRO
C=CCOc1ccc(/C=C/C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1OC	ZINC000732150076	919150800	/nfs/dbraw/zinc/15/08/00/919150800.db2.gz	WBNCKHXTLJAZHT-LKUPDRCFSA-N	1	0	359.470	1.635	20	30		FDEDRO
CN(CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O)[C@H]1CC[N@@H+](C2CC2)C1	ZINC000732188038	919160726	/nfs/dbraw/zinc/16/07/26/919160726.db2.gz	DOIWPHWRBPUVII-FXAWDEMLSA-N	1	0	367.453	1.451	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)C[C@@H]21	ZINC001085005027	919503615	/nfs/dbraw/zinc/50/36/15/919503615.db2.gz	CLXLLWHCNXYISG-OLMNPRSZSA-N	1	0	352.438	1.117	20	30		FDEDRO
CN1CC[C@H](C(=O)N2CC[C@H]3CC[N@H+](CC#Cc4ccccc4)[C@H]3C2)C1=O	ZINC001085012011	919587070	/nfs/dbraw/zinc/58/70/70/919587070.db2.gz	PXJKSAKNVRERIG-AABGKKOBSA-N	1	0	365.477	1.439	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(CN4CCCC4)on3)C[C@@H]21	ZINC001085033724	919899969	/nfs/dbraw/zinc/89/99/69/919899969.db2.gz	XCMPSXBWYPBZJF-APWZRJJASA-N	1	0	356.470	1.830	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(C)c(C(N)=O)cn3)C[C@@H]21	ZINC001085040150	919991060	/nfs/dbraw/zinc/99/10/60/919991060.db2.gz	PQPQUOQMLOUNBK-QAPCUYQASA-N	1	0	356.470	1.992	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C)[C@@H]3c3cccnc3)C[C@@H]21	ZINC001085054237	920163733	/nfs/dbraw/zinc/16/37/33/920163733.db2.gz	RRPFVCWCITVHPY-HGKSCXNLSA-N	1	0	366.465	1.157	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3nc4cc[nH]cc-4n3)C[C@@H]21	ZINC001085070776	920406161	/nfs/dbraw/zinc/40/61/61/920406161.db2.gz	VGDDAKQAEPXJAU-QAPCUYQASA-N	1	0	351.454	1.837	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](C[NH+](C)C)C(C)C	ZINC000733168005	920718497	/nfs/dbraw/zinc/71/84/97/920718497.db2.gz	ZKROOWQMMJBNSE-KRWDZBQOSA-N	1	0	356.474	1.853	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)COc3ccc(C(N)=O)cc3)C[C@@H]21	ZINC001085096066	920884386	/nfs/dbraw/zinc/88/43/86/920884386.db2.gz	AVIDZUZZPFUKBB-QAPCUYQASA-N	1	0	355.438	1.110	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CCOCC1	ZINC001085173484	921990709	/nfs/dbraw/zinc/99/07/09/921990709.db2.gz	XWEAULNILDNCPC-ZIAGYGMSSA-N	1	0	360.296	1.244	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c(C)ccn2C)C1=O	ZINC001085182239	922042807	/nfs/dbraw/zinc/04/28/07/922042807.db2.gz	QBFAWCPAPGWOLL-ZACQAIPSSA-N	1	0	358.486	1.751	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnnc(C)c2)C1=O	ZINC001085182511	922044958	/nfs/dbraw/zinc/04/49/58/922044958.db2.gz	DWFLILJZHUZJNC-BRWVUGGUSA-N	1	0	357.458	1.203	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccncc2C)C1=O	ZINC001085192843	922159855	/nfs/dbraw/zinc/15/98/55/922159855.db2.gz	DCHDAENXVDMLKG-KZNAEPCWSA-N	1	0	356.470	1.808	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@](C)(CNc3ccncc3C#N)C2)CC[N@@H+]1C	ZINC001065503768	922335037	/nfs/dbraw/zinc/33/50/37/922335037.db2.gz	IUSXQEGRFFHFQX-HQRMLTQVSA-N	1	0	355.486	1.756	20	30		FDEDRO
C=CCCC(=O)N1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1	ZINC001065703257	922429622	/nfs/dbraw/zinc/42/96/22/922429622.db2.gz	AUQHUIVZLZHGPJ-KZNAEPCWSA-N	1	0	362.518	1.038	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3c2ccnc(C#N)n2)CC[N@@H+]1C	ZINC001065934697	922507747	/nfs/dbraw/zinc/50/77/47/922507747.db2.gz	STDLQLGHXRIRTB-NQNKBUKLSA-N	1	0	368.485	1.552	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)CC1	ZINC001066217538	922611010	/nfs/dbraw/zinc/61/10/10/922611010.db2.gz	NPXHCQYPQYMMDH-AOIWGVFYSA-N	1	0	365.518	1.807	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CCN3c2cnc(C#N)cn2)CC[N@@H+]1C	ZINC001066202068	922620950	/nfs/dbraw/zinc/62/09/50/922620950.db2.gz	IKEPTVPFJGHAIY-MXASKKJJSA-N	1	0	354.458	1.258	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3c2cncc(C#N)n2)CC[N@@H+]1C	ZINC001066203417	922625294	/nfs/dbraw/zinc/62/52/94/922625294.db2.gz	RQOMIMANPBETNF-MHORFTMASA-N	1	0	368.485	1.648	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)nn1	ZINC001085202859	922672830	/nfs/dbraw/zinc/67/28/30/922672830.db2.gz	ARUODNGUADCLCT-TVFCKZIOSA-N	1	0	374.485	1.983	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccnn1C	ZINC001085229945	922983736	/nfs/dbraw/zinc/98/37/36/922983736.db2.gz	SDXPEKONPNXVSC-QRVBRYPASA-N	1	0	357.502	1.077	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001085230112	922987422	/nfs/dbraw/zinc/98/74/22/922987422.db2.gz	CDFKSJXBMIRUIF-PIKADFDJSA-N	1	0	357.454	1.879	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1	ZINC000734171022	923004195	/nfs/dbraw/zinc/00/41/95/923004195.db2.gz	BNUVVQZVWOLFGQ-SFHVURJKSA-N	1	0	359.470	1.855	20	30		FDEDRO
CON=C(C(=O)N1CCCC[C@@H]1[C@@H](C)C[NH+](C)C)c1csc(N)n1	ZINC000824495494	923042272	/nfs/dbraw/zinc/04/22/72/923042272.db2.gz	HRUVNOFBIPZVRJ-WCQYABFASA-N	1	0	353.492	1.655	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cn[nH]c(=O)c2)c1	ZINC001085234831	923046542	/nfs/dbraw/zinc/04/65/42/923046542.db2.gz	PEWPCIRBDBXMEL-IAGOWNOFSA-N	1	0	351.410	1.885	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cn[nH]n1	ZINC001085256813	923232189	/nfs/dbraw/zinc/23/21/89/923232189.db2.gz	YEIBKDTZYCFGIX-HUUCEWRRSA-N	1	0	354.414	1.516	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	ZINC001085281590	923481676	/nfs/dbraw/zinc/48/16/76/923481676.db2.gz	AKBQTWAMRJIGBJ-MKXGPGLRSA-N	1	0	365.518	1.459	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCNC2=O)c1	ZINC001085296577	923620508	/nfs/dbraw/zinc/62/05/08/923620508.db2.gz	ICZCUTWKBMDJJD-USXIJHARSA-N	1	0	358.417	1.350	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCNC2=O)c(F)c1	ZINC001085296811	923620680	/nfs/dbraw/zinc/62/06/80/923620680.db2.gz	QJAQSVVNZUEELL-USXIJHARSA-N	1	0	358.417	1.350	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1	ZINC001085325424	923914154	/nfs/dbraw/zinc/91/41/54/923914154.db2.gz	NRTKRBVTIUZRIN-ARFHVFGLSA-N	1	0	354.516	1.794	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(OC)nn2)c1	ZINC001085326044	923916595	/nfs/dbraw/zinc/91/65/95/923916595.db2.gz	TTYQGDNOLQVBJX-QZTJIDSGSA-N	1	0	365.437	1.692	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnccc2C)nn1	ZINC001085356986	924180625	/nfs/dbraw/zinc/18/06/25/924180625.db2.gz	YQLIZIMFRQXEKI-IAGOWNOFSA-N	1	0	354.458	1.998	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[C@H]2CCC(=O)N2)s1	ZINC001085360952	924226251	/nfs/dbraw/zinc/22/62/51/924226251.db2.gz	HXBPXGMFBATYNB-DAXOMENPSA-N	1	0	360.483	1.805	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCC2)cn1	ZINC001085397587	924443739	/nfs/dbraw/zinc/44/37/39/924443739.db2.gz	PQXWHQSDFTXXAV-QZTJIDSGSA-N	1	0	354.454	1.316	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCC(=O)N2)ccc1F	ZINC001085398888	924449969	/nfs/dbraw/zinc/44/99/69/924449969.db2.gz	GEMVQSRGLVCPRF-ZACQAIPSSA-N	1	0	358.417	1.493	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1	ZINC000735939928	924688100	/nfs/dbraw/zinc/68/81/00/924688100.db2.gz	MNDPDHRYFDQFMF-CYBMUJFWSA-N	1	0	359.382	1.810	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC(=O)NC1=O	ZINC001085441481	924734487	/nfs/dbraw/zinc/73/44/87/924734487.db2.gz	AUYAFBVXCOFGKR-BRWVUGGUSA-N	1	0	368.437	1.128	20	30		FDEDRO
C#CCCNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1	ZINC000739083600	925218559	/nfs/dbraw/zinc/21/85/59/925218559.db2.gz	DNQMVOWCECZZNW-UHFFFAOYSA-N	1	0	356.470	1.543	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC(C(=O)NCC[NH+](C)C)CC1	ZINC000739912831	925323287	/nfs/dbraw/zinc/32/32/87/925323287.db2.gz	VWYBDDLXPNTWEZ-SFHVURJKSA-N	1	0	372.469	1.162	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCc1cnn(C)c1	ZINC001085864781	925344292	/nfs/dbraw/zinc/34/42/92/925344292.db2.gz	KADBQIVYUXNCCM-QYZOEREBSA-N	1	0	360.502	1.867	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1	ZINC000740736048	925419853	/nfs/dbraw/zinc/41/98/53/925419853.db2.gz	BDJRUPFUBPFHPF-IRXDYDNUSA-N	1	0	359.470	1.156	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CN2C(=O)CSc3ccccc32)CC1	ZINC000740737684	925422045	/nfs/dbraw/zinc/42/20/45/925422045.db2.gz	IXGIFSWCESBDMZ-UHFFFAOYSA-N	1	0	357.479	1.729	20	30		FDEDRO
C=CCNC(=O)CN1CC[NH+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000741155336	925594989	/nfs/dbraw/zinc/59/49/89/925594989.db2.gz	CSJFGMLTFLOBGE-MRXNPFEDSA-N	1	0	366.506	1.163	20	30		FDEDRO
C=CCN1CCO[C@@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1	ZINC001108231138	925709263	/nfs/dbraw/zinc/70/92/63/925709263.db2.gz	MBYKKAVGQBWNME-DYXWJJEUSA-N	1	0	357.498	1.725	20	30		FDEDRO
Cc1cc(NCC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C#N)cn1	ZINC001066393762	925982953	/nfs/dbraw/zinc/98/29/53/925982953.db2.gz	LUOLBVMGLYTSNF-JFIYKMOQSA-N	1	0	355.486	1.674	20	30		FDEDRO
N#Cc1cc(S(N)(=O)=O)ccc1NCC1([NH+]2CCCC2)CCOCC1	ZINC000742402089	926052122	/nfs/dbraw/zinc/05/21/22/926052122.db2.gz	CZQMQDGJCXHXBB-UHFFFAOYSA-N	1	0	364.471	1.263	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C3)nc1	ZINC001006286109	926116601	/nfs/dbraw/zinc/11/66/01/926116601.db2.gz	JOARFVQGNHXAFE-OPNNQBFTSA-N	1	0	366.465	1.409	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)CCCn2ccnc2C)[C@@H](n2ccnn2)C1	ZINC001129326864	926191952	/nfs/dbraw/zinc/19/19/52/926191952.db2.gz	NRXGQEKCBXVSIG-SJORKVTESA-N	1	0	357.462	1.181	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCC2)C1	ZINC001086219634	926318294	/nfs/dbraw/zinc/31/82/94/926318294.db2.gz	KMGYBFSPLDOEDR-ZMMAXQRCSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cn(C(C)C)nn2)C1	ZINC001086223388	926353528	/nfs/dbraw/zinc/35/35/28/926353528.db2.gz	NTRTWANVIKMLMP-MVJTYMMSSA-N	1	0	361.490	1.825	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CCCn2c(=O)oc3ccccc32)CC1	ZINC000743490498	926378098	/nfs/dbraw/zinc/37/80/98/926378098.db2.gz	QHZDCFZFKIBQHQ-UHFFFAOYSA-N	1	0	355.438	1.979	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H](C)NC(=O)OCc2ccccc2)CC1	ZINC000743490913	926378104	/nfs/dbraw/zinc/37/81/04/926378104.db2.gz	AANHXBBWKZHHBA-INIZCTEOSA-N	1	0	357.454	1.905	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)CC1	ZINC000743492250	926378361	/nfs/dbraw/zinc/37/83/61/926378361.db2.gz	RETQUUHAGGMNKD-UHFFFAOYSA-N	1	0	368.412	1.589	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000743979414	926533289	/nfs/dbraw/zinc/53/32/89/926533289.db2.gz	BBYYPQDNMOGOGC-OAHLLOKOSA-N	1	0	358.442	1.908	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@]1(C)C[N@H+](CCCOCC)CCO1	ZINC001108274486	927203652	/nfs/dbraw/zinc/20/36/52/927203652.db2.gz	GAIWINDQTXLYTH-LNLFQRSKSA-N	1	0	354.491	1.601	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@]1(C)C[N@H+](CCCCOC)CCO1	ZINC001108275025	927207976	/nfs/dbraw/zinc/20/79/76/927207976.db2.gz	VHRBEDKLGSNOMT-JENIJYKNSA-N	1	0	354.491	1.601	20	30		FDEDRO
C=CC[C@H](NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccncc1	ZINC000745829944	927447722	/nfs/dbraw/zinc/44/77/22/927447722.db2.gz	JIWQLODEBDXJHC-SJORKVTESA-N	1	0	359.474	1.585	20	30		FDEDRO
CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N(CC[NH3+])CCO	ZINC001155952276	927643057	/nfs/dbraw/zinc/64/30/57/927643057.db2.gz	FDFRWFUEKHVUDL-UHFFFAOYSA-N	1	0	362.764	1.086	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCN(C(C)C)C2=O)C1	ZINC001086502898	927681932	/nfs/dbraw/zinc/68/19/32/927681932.db2.gz	RZFYAQCUERQUTE-ATIWLJMLSA-N	1	0	363.502	1.461	20	30		FDEDRO
C[NH+](C)Cc1cc(CNC(=O)CCNC(=O)C2N=CC=CC2=O)ccc1F	ZINC000746274471	927731879	/nfs/dbraw/zinc/73/18/79/927731879.db2.gz	UZLFJQUQKNUQLR-VHEBQXMUSA-N	1	0	374.416	1.420	20	30		FDEDRO
N#Cc1c2c(cnc1-n1cncc1C[C@@H]([NH3+])CO)CCN2Cc1ccccc1	ZINC001169070875	928260526	/nfs/dbraw/zinc/26/05/26/928260526.db2.gz	FCCPISGBUJKXTJ-QGZVFWFLSA-N	1	0	374.448	1.564	20	30		FDEDRO
C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCC(C#N)CC1	ZINC001169195711	928334425	/nfs/dbraw/zinc/33/44/25/928334425.db2.gz	MGFUTPPXADFIIE-AWEZNQCLSA-N	1	0	372.473	1.228	20	30		FDEDRO
C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(C#N)cc21	ZINC000866995731	928660741	/nfs/dbraw/zinc/66/07/41/928660741.db2.gz	KBOZYBZLMYODKV-HNNXBMFYSA-N	1	0	358.442	1.902	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2nc(C)oc2C)[C@@H](n2ccnn2)C1	ZINC001129342772	928871269	/nfs/dbraw/zinc/87/12/69/928871269.db2.gz	WYFSKYJXXGOODF-MAZHCROVSA-N	1	0	358.446	1.893	20	30		FDEDRO
CCCCCCC[NH+]1CC(N2C[C@@H](NC(=O)[C@]34C[C@H]3COC4)CC2=O)C1	ZINC001108548462	928901351	/nfs/dbraw/zinc/90/13/51/928901351.db2.gz	OQWXWWFWBYPQJZ-FTRWYGJKSA-N	1	0	363.502	1.395	20	30		FDEDRO
C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)C2	ZINC001169851223	928931359	/nfs/dbraw/zinc/93/13/59/928931359.db2.gz	CIOWYYJEWSDQAY-AQFXKWCLSA-N	1	0	364.511	1.837	20	30		FDEDRO
C[C@@H](CC#N)N(C)CN1C(=O)N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O	ZINC000103460358	928951080	/nfs/dbraw/zinc/95/10/80/928951080.db2.gz	BCSAQMNCVRCBLV-JXFKEZNVSA-N	1	0	369.469	1.764	20	30		FDEDRO
COC(=O)n1ncc(C#N)c1Nc1cccc2nc([C@@H]3C[NH2+]CCO3)cn21	ZINC001169968885	928970231	/nfs/dbraw/zinc/97/02/31/928970231.db2.gz	MWCAAWPNXKMSDK-ZDUSSCGKSA-N	1	0	367.369	1.421	20	30		FDEDRO
C[C@@H](CNc1ccncc1C#N)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1	ZINC001108718405	929120181	/nfs/dbraw/zinc/12/01/81/929120181.db2.gz	YJVLROAEVGUMPG-IPELMVKDSA-N	1	0	363.465	1.637	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](O)COCCOC)cc1	ZINC001109587349	929867473	/nfs/dbraw/zinc/86/74/73/929867473.db2.gz	CXUINMBZSAVCFC-FYQPLNBISA-N	1	0	372.465	1.027	20	30		FDEDRO
C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1cccc(F)c1C#N	ZINC000770291998	929956472	/nfs/dbraw/zinc/95/64/72/929956472.db2.gz	IXNUEZDHNVVKNZ-CYBMUJFWSA-N	1	0	354.451	1.002	20	30		FDEDRO
C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COC1CCOCC1	ZINC001109659059	930050606	/nfs/dbraw/zinc/05/06/06/930050606.db2.gz	QDTRZCRVCIKVDI-NEPXVJNWSA-N	1	0	366.502	1.621	20	30		FDEDRO
C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](O)COCCOC)CCC1	ZINC001109683719	930124373	/nfs/dbraw/zinc/12/43/73/930124373.db2.gz	YXZGEPHYQGTDLU-BDXSIMOUSA-N	1	0	366.502	1.478	20	30		FDEDRO
COC(=O)C[C@]1([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CCCOC1	ZINC000770698679	930211208	/nfs/dbraw/zinc/21/12/08/930211208.db2.gz	MOYRUOHUSMHXTI-QGZVFWFLSA-N	1	0	366.439	1.034	20	30		FDEDRO
COC(=O)C[C@]1([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CCCOC1	ZINC000770703716	930215380	/nfs/dbraw/zinc/21/53/80/930215380.db2.gz	ZCQSUJPUALXCCC-QFBILLFUSA-N	1	0	362.426	1.194	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCOC	ZINC001109806266	930468920	/nfs/dbraw/zinc/46/89/20/930468920.db2.gz	UDASUNUVZMUGJK-HCXYKTFWSA-N	1	0	365.518	1.996	20	30		FDEDRO
C#CCNC(=O)c1ccc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)nc1	ZINC000771188129	930520971	/nfs/dbraw/zinc/52/09/71/930520971.db2.gz	MGOBZLYMVKFLLP-UHFFFAOYSA-N	1	0	369.513	1.439	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)C(C)(C)N2C(=O)c3ccccc3C2=O)CC1	ZINC000771378951	930597726	/nfs/dbraw/zinc/59/77/26/930597726.db2.gz	MQUJPYJTNBUWJD-UHFFFAOYSA-N	1	0	367.449	1.665	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)CCC(C)C)C2	ZINC001109854864	930604797	/nfs/dbraw/zinc/60/47/97/930604797.db2.gz	CBNRFJMASYBBOM-IKGGRYGDSA-N	1	0	351.491	1.463	20	30		FDEDRO
C[NH+]1CCN(c2ccc(C=NNS(=O)(=O)c3ccccc3)cc2)CC1	ZINC000771554446	930737570	/nfs/dbraw/zinc/73/75/70/930737570.db2.gz	WAMCEUCLFUZLIG-UHFFFAOYSA-N	1	0	358.467	1.751	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CCCOC)c1)C2	ZINC001109945585	930827821	/nfs/dbraw/zinc/82/78/21/930827821.db2.gz	JOPBRJFDWKOQDS-SQNIBIBYSA-N	1	0	362.474	1.457	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCCC(N)=O)C3)cc1	ZINC001109955210	930902106	/nfs/dbraw/zinc/90/21/06/930902106.db2.gz	LSVGWWUQDGEYJA-SQNIBIBYSA-N	1	0	354.454	1.825	20	30		FDEDRO
C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#Cc1ccccc1	ZINC001109977499	930935786	/nfs/dbraw/zinc/93/57/86/930935786.db2.gz	LQDKFSIRWPXMDK-AABGKKOBSA-N	1	0	355.482	1.338	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2nnc(-c3ccco3)o2)CC1	ZINC000772112463	931080993	/nfs/dbraw/zinc/08/09/93/931080993.db2.gz	BNMIVNNQAUNWIF-UHFFFAOYSA-N	1	0	358.354	1.157	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC1	ZINC000772114222	931081458	/nfs/dbraw/zinc/08/14/58/931081458.db2.gz	MFAACQAQILTQQX-CQSZACIVSA-N	1	0	369.421	1.249	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3nnn(C)c3c1)C2	ZINC001110042165	931213534	/nfs/dbraw/zinc/21/35/34/931213534.db2.gz	YBNXPVNOEBTUHA-PVAVHDDUSA-N	1	0	355.442	1.506	20	30		FDEDRO
C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCOC)CCOCC1	ZINC001110046950	931247110	/nfs/dbraw/zinc/24/71/10/931247110.db2.gz	FRQKSCFFOVBVKL-SQNIBIBYSA-N	1	0	366.502	1.744	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@]1(C)CCCS1(=O)=O)C2	ZINC001112544127	931415879	/nfs/dbraw/zinc/41/58/79/931415879.db2.gz	PKCGYRSFAQGVBH-SZMVWBNQSA-N	1	0	352.500	1.195	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1ncccn1)C2	ZINC001112548373	931452305	/nfs/dbraw/zinc/45/23/05/931452305.db2.gz	WKEXSSAZLUIMRA-PXNSSMCTSA-N	1	0	356.470	1.277	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCc1ccncc1)C2	ZINC001112551434	931467575	/nfs/dbraw/zinc/46/75/75/931467575.db2.gz	ALAFWUHJMPYZTL-FPOVZHCZSA-N	1	0	371.481	1.466	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1NC(=O)c3ccccc31)C2	ZINC001112549107	931513278	/nfs/dbraw/zinc/51/32/78/931513278.db2.gz	IPVOLPDKSDCXHV-KLHJMIIUSA-N	1	0	351.450	1.713	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn3nccc3nc1C)C2	ZINC001112554547	931520052	/nfs/dbraw/zinc/52/00/52/931520052.db2.gz	XFKFHJMUQVONKM-JXFKEZNVSA-N	1	0	351.454	1.893	20	30		FDEDRO
C=C(Br)COC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1	ZINC000785650596	931525298	/nfs/dbraw/zinc/52/52/98/931525298.db2.gz	BXNSXLGHPRKHII-STQMWFEESA-N	1	0	359.264	1.771	20	30		FDEDRO
C=C(Br)COC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1	ZINC000785650575	931525348	/nfs/dbraw/zinc/52/53/48/931525348.db2.gz	BXNSXLGHPRKHII-OLZOCXBDSA-N	1	0	359.264	1.771	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)NCC(F)(F)F)C2	ZINC001112553361	931532501	/nfs/dbraw/zinc/53/25/01/931532501.db2.gz	ORTMUJXTRPLRLI-FZMZJTMJSA-N	1	0	367.799	1.636	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c[nH]nc1-c1cnn(C)c1)C2	ZINC001112561303	931587586	/nfs/dbraw/zinc/58/75/86/931587586.db2.gz	QMSBXMXBKGDFHF-JXFKEZNVSA-N	1	0	366.469	1.665	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1ccccc1C(N)=O)C2	ZINC001112563334	931600045	/nfs/dbraw/zinc/60/00/45/931600045.db2.gz	QTDOTPQBJQUDDC-UWJYYQICSA-N	1	0	353.466	1.570	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC)C2)nc1	ZINC001112565847	931615023	/nfs/dbraw/zinc/61/50/23/931615023.db2.gz	VXSWFNWHUMGSPF-JXFKEZNVSA-N	1	0	354.454	1.031	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)c1ccccc1)C2	ZINC001112566782	931622199	/nfs/dbraw/zinc/62/21/99/931622199.db2.gz	ZBXJRIUYRBEZIS-LZNRXBQRSA-N	1	0	367.493	1.758	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COc1ccccc1)C2	ZINC001112568600	931632639	/nfs/dbraw/zinc/63/26/39/931632639.db2.gz	BIIXXDFGDDACFC-UWJYYQICSA-N	1	0	371.481	1.586	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](NC(C)=O)C(C)C)C2	ZINC001112566956	931636969	/nfs/dbraw/zinc/63/69/69/931636969.db2.gz	MJVBYIRIIZMTRO-NSHGMRRFSA-N	1	0	363.502	1.015	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c(C)nn(C)c1F)C2	ZINC001112571503	931654296	/nfs/dbraw/zinc/65/42/96/931654296.db2.gz	ZSORLXBHYPXRRQ-KXBFYZLASA-N	1	0	364.465	1.902	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](CC)C(N)=O)C1	ZINC001112569695	931662601	/nfs/dbraw/zinc/66/26/01/931662601.db2.gz	LAILFMXOSUXROR-JQVVWYNYSA-N	1	0	367.493	1.693	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c(C)noc1C)C2	ZINC001112577676	931693533	/nfs/dbraw/zinc/69/35/33/931693533.db2.gz	YFMHYYUDFQZARR-PXNSSMCTSA-N	1	0	359.470	1.702	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccn1CC)C2	ZINC001112579308	931741282	/nfs/dbraw/zinc/74/12/82/931741282.db2.gz	HHHDPPOXQZMWFI-FIKGOQFSSA-N	1	0	370.497	1.478	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CN(CC)CCO1)C2	ZINC001112583493	931754317	/nfs/dbraw/zinc/75/43/17/931754317.db2.gz	UXHLAFPMDJBUSK-BQFCYCMXSA-N	1	0	355.910	1.678	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCc3nnc(C)n3C1)C2	ZINC001112583764	931757657	/nfs/dbraw/zinc/75/76/57/931757657.db2.gz	ILPVKNFNECZESO-ZWOKBUDYSA-N	1	0	355.486	1.391	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)c1ccccn1)C2	ZINC001112584304	931782637	/nfs/dbraw/zinc/78/26/37/931782637.db2.gz	LSMQOPJKQOTURM-JXFKEZNVSA-N	1	0	354.454	1.053	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCCN1C(=O)C(C)C)C2	ZINC001112584260	931782695	/nfs/dbraw/zinc/78/26/95/931782695.db2.gz	JEKHYDMXQBPCCD-WFXMLNOXSA-N	1	0	359.514	1.875	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1	ZINC000786251888	931822175	/nfs/dbraw/zinc/82/21/75/931822175.db2.gz	CYIFFHSLPXHSIJ-UHFFFAOYSA-N	1	0	370.497	1.462	20	30		FDEDRO
N#Cc1ccnnc1N(CC[NH3+])S(=O)(=O)c1cccc2cnccc21	ZINC001170066989	932145576	/nfs/dbraw/zinc/14/55/76/932145576.db2.gz	PKWLYKYTPGKSKC-UHFFFAOYSA-N	1	0	354.395	1.050	20	30		FDEDRO
C[C@H]([NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1)C(=O)NC1(C#N)CCC1	ZINC000787293685	932246306	/nfs/dbraw/zinc/24/63/06/932246306.db2.gz	JILDYVCPQNDOKF-STQMWFEESA-N	1	0	364.471	1.660	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)OCCC[NH+]2CCCC2)cc1	ZINC000787989659	932522871	/nfs/dbraw/zinc/52/28/71/932522871.db2.gz	YGAXXLFSIPVHMY-UHFFFAOYSA-N	1	0	350.440	1.241	20	30		FDEDRO
C[NH+](C)Cc1cccc(CNC(=O)C(=O)NCc2cc(C#N)ccc2F)c1	ZINC000788462268	932705255	/nfs/dbraw/zinc/70/52/55/932705255.db2.gz	XNZNXUWCXOMSKK-UHFFFAOYSA-N	1	0	368.412	1.692	20	30		FDEDRO
CCNc1nc(N=NC2CC[NH+](CCC(=O)OC)CC2)nc(NCC)n1	ZINC000788700091	932787124	/nfs/dbraw/zinc/78/71/24/932787124.db2.gz	JJJZJWWGHQGLTG-UHFFFAOYSA-N	1	0	364.454	1.162	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)n1	ZINC000788867125	932842689	/nfs/dbraw/zinc/84/26/89/932842689.db2.gz	SOPJTZXRSGTCDE-QGZVFWFLSA-N	1	0	361.490	1.406	20	30		FDEDRO
COc1ccc(CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1C#N	ZINC000746772755	932865825	/nfs/dbraw/zinc/86/58/25/932865825.db2.gz	OTTOGIBFCLLOLO-UHFFFAOYSA-N	1	0	351.410	1.994	20	30		FDEDRO
COc1ccc(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1C#N	ZINC000746774730	932891226	/nfs/dbraw/zinc/89/12/26/932891226.db2.gz	AYKGYFXQASGTLG-QZTJIDSGSA-N	1	0	372.469	1.744	20	30		FDEDRO
C#CCNS(=O)(=O)N1CC[NH+](CC[C@H](C)OCc2ccccc2)CC1	ZINC000789359436	933007717	/nfs/dbraw/zinc/00/77/17/933007717.db2.gz	VYGPNRSXNAGCPJ-KRWDZBQOSA-N	1	0	365.499	1.067	20	30		FDEDRO
CC(C)(C#N)CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000790043758	933311312	/nfs/dbraw/zinc/31/13/12/933311312.db2.gz	UBJRZQNJKNJCTG-IAGOWNOFSA-N	1	0	365.499	1.339	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cncc(C)c2)C1	ZINC001111677069	933704232	/nfs/dbraw/zinc/70/42/32/933704232.db2.gz	OJRNRTFTKNMGIC-SYNHAJSKSA-N	1	0	356.470	1.665	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC(=O)N(CC)C2)C1	ZINC001086590947	933716176	/nfs/dbraw/zinc/71/61/76/933716176.db2.gz	JDFXPOPYOJREIV-GBESFXJTSA-N	1	0	353.466	1.462	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCNC(=O)CC2)C1	ZINC001086601096	934120738	/nfs/dbraw/zinc/12/07/38/934120738.db2.gz	GGJFIABXZJFARM-GBESFXJTSA-N	1	0	353.466	1.510	20	30		FDEDRO
C[C@@H]1CCC[C@@](CNC(=O)C(=O)NCc2cc(C#N)ccc2F)([NH+](C)C)C1	ZINC000793814410	934290386	/nfs/dbraw/zinc/29/03/86/934290386.db2.gz	RYYAPTOEEOOHIC-JLTOFOAXSA-N	1	0	374.460	1.940	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)NC1CC[NH+](CCOC)CC1)c1ccncc1	ZINC000793817801	934292786	/nfs/dbraw/zinc/29/27/86/934292786.db2.gz	TZTKDHQMBRRROM-KRWDZBQOSA-N	1	0	360.458	1.042	20	30		FDEDRO
CON=C(C(=O)N1CCCC2(CC[NH+](C)CC2)C1)c1csc(N)n1	ZINC000822661014	945129161	/nfs/dbraw/zinc/12/91/61/945129161.db2.gz	IBSKEZAYNZXRIT-UHFFFAOYSA-N	1	0	351.476	1.410	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C(=O)N2CC[C@@H](C)C2)C1	ZINC001086618643	938349981	/nfs/dbraw/zinc/34/99/81/938349981.db2.gz	CZGMWDODSHCFGH-NZSAHSFTSA-N	1	0	353.466	1.462	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)COc2ccccc2CC)[C@@H](n2ccnn2)C1	ZINC001129417176	938408920	/nfs/dbraw/zinc/40/89/20/938408920.db2.gz	ADBBGZJFRXLVNH-MSOLQXFVSA-N	1	0	367.453	1.284	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)CCc2ccc(OC)cc2)[C@@H](n2ccnn2)C1	ZINC001129418339	938410198	/nfs/dbraw/zinc/41/01/98/938410198.db2.gz	SXVGELJJRSJTOQ-MOPGFXCFSA-N	1	0	369.469	1.837	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccc(OC)cc2)[C@@H](n2ccnn2)C1	ZINC001129400418	938415188	/nfs/dbraw/zinc/41/51/88/938415188.db2.gz	NCPJDLNXNNNGBN-MSOLQXFVSA-N	1	0	355.442	1.908	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)COc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129438024	938425156	/nfs/dbraw/zinc/42/51/56/938425156.db2.gz	LOJCBVJLLKUTCL-QRQLOZEOSA-N	1	0	369.469	1.911	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@@H+](CCCOC(C)C)C[C@@H]1n1ccnn1	ZINC001129477043	938433059	/nfs/dbraw/zinc/43/30/59/938433059.db2.gz	WZORBHLMOHPNMY-SJORKVTESA-N	1	0	365.478	1.027	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CC(F)(F)C(F)(F)F)[C@@H](n2ccnn2)C1	ZINC001129490830	938442245	/nfs/dbraw/zinc/44/22/45/938442245.db2.gz	QEQCKIWUDPMJHK-MNOVXSKESA-N	1	0	365.306	1.231	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2nccnc2C(N)=O)C1	ZINC001086623082	938447797	/nfs/dbraw/zinc/44/77/97/938447797.db2.gz	JJNDCKGPTJQWRH-JKSUJKDBSA-N	1	0	365.437	1.349	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cc(C)oc2C)C[C@@H]1n1ccnn1	ZINC001129565161	938457588	/nfs/dbraw/zinc/45/75/88/938457588.db2.gz	SCFOXJPTTFINSZ-SJORKVTESA-N	1	0	359.430	1.346	20	30		FDEDRO
N#CCSCC(=O)N1C[C@@H]([NH2+]Cc2ccsc2)[C@@H](n2ccnn2)C1	ZINC001129603730	938462831	/nfs/dbraw/zinc/46/28/31/938462831.db2.gz	HXLDLHOVPNWGCH-KGLIPLIRSA-N	1	0	362.484	1.138	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)=O)C[C@@H]1n1ccnn1	ZINC001129613510	938468522	/nfs/dbraw/zinc/46/85/22/938468522.db2.gz	VAKWPNBRCLKLIR-SJORKVTESA-N	1	0	364.494	1.068	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]C[C@@H](OC)c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129666662	938478399	/nfs/dbraw/zinc/47/83/99/938478399.db2.gz	DURSKHFCUBNFAD-CEXWTWQISA-N	1	0	369.469	1.974	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]CCc2csc(C)n2)[C@@H](n2ccnn2)C1	ZINC001129667557	938478944	/nfs/dbraw/zinc/47/89/44/938478944.db2.gz	ZIYVGQDCXPYXFP-CVEARBPZSA-N	1	0	360.487	1.593	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CCCCOC)[C@@H](n2ccnn2)C1	ZINC001129656009	938483209	/nfs/dbraw/zinc/48/32/09/938483209.db2.gz	JXHPMTCFKDUHKO-ZACQAIPSSA-N	1	0	365.478	1.027	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]([NH2+]CCCC2CCCC2)[C@@H](n2ccnn2)C1	ZINC001129681280	938484069	/nfs/dbraw/zinc/48/40/69/938484069.db2.gz	NBHAPHFQTZVGBL-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]([NH2+]CC2CCC(C)CC2)[C@@H](n2ccnn2)C1	ZINC001129681522	938484232	/nfs/dbraw/zinc/48/42/32/938484232.db2.gz	SNKMVZQLOMXREX-HIEASXQVSA-N	1	0	361.490	1.649	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2COCCN2C(C)=O)C1	ZINC001086624473	938486861	/nfs/dbraw/zinc/48/68/61/938486861.db2.gz	GWGJZVQHAVSOSE-XUVXKRRUSA-N	1	0	371.481	1.394	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CCCC(C)(C)C)C[C@@H]1n1ccnn1	ZINC001129678012	938490971	/nfs/dbraw/zinc/49/09/71/938490971.db2.gz	ROPAAJCCNPGMKC-SJORKVTESA-N	1	0	361.490	1.486	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]C/C=C\c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129678188	938491251	/nfs/dbraw/zinc/49/12/51/938491251.db2.gz	YVCXJJBIKCYWJV-QPZHOTKFSA-N	1	0	350.426	1.493	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H]([NH2+]C[C@H](F)CC)[C@@H](n2ccnn2)C1	ZINC001129733561	938496687	/nfs/dbraw/zinc/49/66/87/938496687.db2.gz	YBXIAJUPKSHVLZ-OAGGEKHMSA-N	1	0	353.442	1.351	20	30		FDEDRO
CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1n1ccnn1	ZINC001129762470	938503334	/nfs/dbraw/zinc/50/33/34/938503334.db2.gz	MEPUSGOLJFGBHE-ZLKFPQNLSA-N	1	0	367.457	1.880	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2nccc(C)n2)C[C@@H]1n1ccnn1	ZINC001129791590	938508404	/nfs/dbraw/zinc/50/84/04/938508404.db2.gz	KXUWYEVNBVNUFG-IMJJTQAJSA-N	1	0	355.446	1.387	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H]([NH2+]CCCC2CCC2)[C@@H](n2ccnn2)C1	ZINC001129796062	938509560	/nfs/dbraw/zinc/50/95/60/938509560.db2.gz	ZLESYTOWSBICQM-AOIWGVFYSA-N	1	0	361.490	1.527	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccnn2CC)C[C@@H]1n1ccnn1	ZINC001129782028	938514769	/nfs/dbraw/zinc/51/47/69/938514769.db2.gz	BFGQQJFWYGZCKB-INMHGKMJSA-N	1	0	357.462	1.505	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CC(C)(C)C2CC2)C[C@@H]1n1ccnn1	ZINC001129811384	938519571	/nfs/dbraw/zinc/51/95/71/938519571.db2.gz	HDGYKDDPLYLZDE-SJORKVTESA-N	1	0	359.474	1.096	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H]([NH2+]CCOCCC(C)C)[C@@H](n2ccnn2)C1	ZINC001129822480	938522129	/nfs/dbraw/zinc/52/21/29/938522129.db2.gz	UJZUUUVBDLGHDY-MSOLQXFVSA-N	1	0	361.490	1.342	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H]([NH2+]C/C=C/c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129825198	938522881	/nfs/dbraw/zinc/52/28/81/938522881.db2.gz	PUXNUGGASPVECD-XXGTVTCJSA-N	1	0	363.465	1.992	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CC2CCCCC2)[C@@H](n2ccnn2)C1	ZINC001129829523	938523653	/nfs/dbraw/zinc/52/36/53/938523653.db2.gz	JROWUNNOXIYGDG-NXHRZFHOSA-N	1	0	359.474	1.238	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CCCCCCC)[C@@H](n2ccnn2)C1	ZINC001129829730	938523718	/nfs/dbraw/zinc/52/37/18/938523718.db2.gz	NPNIXPDALMRGBT-KSZLIROESA-N	1	0	361.490	1.628	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2coc(C(C)(C)C)n2)C[C@@H]1n1ccnn1	ZINC001129830103	938523962	/nfs/dbraw/zinc/52/39/62/938523962.db2.gz	USYKEFNHZXGNIX-HIFRSBDPSA-N	1	0	358.446	1.795	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1C[C@H]1c1ccc(OC)cc1	ZINC001129849810	938526673	/nfs/dbraw/zinc/52/66/73/938526673.db2.gz	VUHYTDNYXYWMKM-HFTRVMKXSA-N	1	0	357.454	1.033	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[C@H]2CCCCO2)C[C@@H]1n1ccnn1	ZINC001129849994	938527220	/nfs/dbraw/zinc/52/72/20/938527220.db2.gz	IKLCXIXOKVIAIZ-IXDOHACOSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2ccnn2C)C[C@@H]1n1ccnn1	ZINC001129850332	938527352	/nfs/dbraw/zinc/52/73/52/938527352.db2.gz	XZMBTLRVHIEZOL-INMHGKMJSA-N	1	0	357.462	1.123	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](OCC)C2=CCCC2)C[C@@H]1n1ccnn1	ZINC001129850401	938527354	/nfs/dbraw/zinc/52/73/54/938527354.db2.gz	YFPSYMLSRRLMNN-FGTMMUONSA-N	1	0	357.458	1.158	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(C3CCC3)cnn2C)C[C@@H]1n1ccnn1	ZINC001129858313	938530062	/nfs/dbraw/zinc/53/00/62/938530062.db2.gz	VKFTUKDVTHPJEG-SJORKVTESA-N	1	0	369.473	1.511	20	30		FDEDRO
C=C(Br)C[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1c1ccnn1CC	ZINC001129859480	938530532	/nfs/dbraw/zinc/53/05/32/938530532.db2.gz	BAGHAULHYHYKPT-TZMCWYRMSA-N	1	0	371.279	1.595	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCCCO2)[C@@H](n2ccnn2)C1	ZINC001129879000	938536224	/nfs/dbraw/zinc/53/62/24/938536224.db2.gz	NGWQDNCDDBTUEM-KSZLIROESA-N	1	0	361.490	1.935	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCCC2CCOCC2)C[C@@H]1n1ccnn1	ZINC001129887646	938540438	/nfs/dbraw/zinc/54/04/38/938540438.db2.gz	JVKFHGDLEMJQIQ-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnn3c2CCC3)C[C@@H]1n1ccnn1	ZINC001129892056	938542606	/nfs/dbraw/zinc/54/26/06/938542606.db2.gz	FLFOVDQZSGFMJT-WBVHZDCISA-N	1	0	355.446	1.042	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccn(CC(C)C)n2)C[C@@H]1n1ccnn1	ZINC001129876530	938546921	/nfs/dbraw/zinc/54/69/21/938546921.db2.gz	RKTRYEYVQPSHNG-MSOLQXFVSA-N	1	0	371.489	1.752	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc3cccn3cn2)C[C@@H]1n1ccnn1	ZINC001129905296	938548240	/nfs/dbraw/zinc/54/82/40/938548240.db2.gz	STMWFVFRJUAIFQ-SJORKVTESA-N	1	0	351.414	1.157	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C/C=C\c2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001129907159	938549077	/nfs/dbraw/zinc/54/90/77/938549077.db2.gz	UMARVFFQPPZBSE-LSLCWXNRSA-N	1	0	367.428	1.886	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccncc2CC)C[C@@H]1n1ccnn1	ZINC001129917292	938554071	/nfs/dbraw/zinc/55/40/71/938554071.db2.gz	PKBXALRWLGURSA-MSOLQXFVSA-N	1	0	354.458	1.857	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c3c[nH]nc3ccc2C)C[C@@H]1n1ccnn1	ZINC001129917563	938554417	/nfs/dbraw/zinc/55/44/17/938554417.db2.gz	WRJGLALTUIQBKX-SJORKVTESA-N	1	0	363.425	1.141	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCCc2ccsc2)C[C@@H]1n1ccnn1	ZINC001129902375	938561283	/nfs/dbraw/zinc/56/12/83/938561283.db2.gz	HZAMXBIUKYNUKE-SJORKVTESA-N	1	0	357.483	1.727	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(C)c(OC)c2)C[C@@H]1n1ccnn1	ZINC001129931861	938561975	/nfs/dbraw/zinc/56/19/75/938561975.db2.gz	CXWGABXTXIESOL-MSOLQXFVSA-N	1	0	367.453	1.203	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cncc(CC)c2)C[C@@H]1n1ccnn1	ZINC001129932103	938562308	/nfs/dbraw/zinc/56/23/08/938562308.db2.gz	LVVMJUYNAGBNQY-MSOLQXFVSA-N	1	0	354.458	1.857	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2cncnc2)C[C@@H]1n1ccnn1	ZINC001129932447	938562615	/nfs/dbraw/zinc/56/26/15/938562615.db2.gz	YYGPNDOEBZEABE-JQHSSLGASA-N	1	0	369.473	1.397	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CCC)cc1	ZINC000804777437	938565814	/nfs/dbraw/zinc/56/58/14/938565814.db2.gz	FJAKUGDWGAPHOB-INIZCTEOSA-N	1	0	363.483	1.202	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cccnc2)C[C@@H]1n1ccnn1	ZINC001129918777	938567234	/nfs/dbraw/zinc/56/72/34/938567234.db2.gz	IIJFVFJOPGWYHR-MSOLQXFVSA-N	1	0	368.485	1.959	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cncc3[nH]ccc32)C[C@@H]1n1ccnn1	ZINC001129924977	938570528	/nfs/dbraw/zinc/57/05/28/938570528.db2.gz	PCUXMGSGFFHSNV-MSOLQXFVSA-N	1	0	365.441	1.776	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001129924941	938570606	/nfs/dbraw/zinc/57/06/06/938570606.db2.gz	NSCVPWYKZMUKDV-MSOLQXFVSA-N	1	0	355.417	1.415	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)nn2CC)C[C@@H]1n1ccnn1	ZINC001129925310	938570793	/nfs/dbraw/zinc/57/07/93/938570793.db2.gz	ZLNUABWKWCOHQL-AEFFLSMTSA-N	1	0	371.489	1.849	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(F)ccc2OC)C[C@@H]1n1ccnn1	ZINC001129948965	938573875	/nfs/dbraw/zinc/57/38/75/938573875.db2.gz	IHIXZKIHHSOJAY-CVEARBPZSA-N	1	0	357.389	1.104	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3cc(C)ccc3[nH]2)C[C@@H]1n1ccnn1	ZINC001129952129	938575333	/nfs/dbraw/zinc/57/53/33/938575333.db2.gz	JBQBYTFUQNRVBS-MOPGFXCFSA-N	1	0	362.437	1.746	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH]ncc32)C[C@@H]1n1ccnn1	ZINC001129954655	938576782	/nfs/dbraw/zinc/57/67/82/938576782.db2.gz	YLQABBSJTAIXAP-SJORKVTESA-N	1	0	351.414	1.386	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cccs2)C[C@@H]1n1ccnn1	ZINC001129957175	938577291	/nfs/dbraw/zinc/57/72/91/938577291.db2.gz	VFBRCXLJWWMGJK-CABCVRRESA-N	1	0	357.483	1.682	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H]([NH2+]CCOC(C)C)[C@@H](n2ccnn2)C1	ZINC001129964137	938579923	/nfs/dbraw/zinc/57/99/23/938579923.db2.gz	YIKRSCDKXBULFW-MSOLQXFVSA-N	1	0	361.490	1.628	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H]([NH2+]CC2CCC2)[C@@H](n2ccnn2)C1	ZINC001129945620	938581128	/nfs/dbraw/zinc/58/11/28/938581128.db2.gz	TURJEDSXAFQXAF-AOIWGVFYSA-N	1	0	361.490	1.649	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H]([NH2+]Cc2cn(C)nc2C)[C@@H](n2ccnn2)C1	ZINC001129977973	938593398	/nfs/dbraw/zinc/59/33/98/938593398.db2.gz	MMJABTWJINRFAG-JQHSSLGASA-N	1	0	371.489	1.464	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]c3cnccc23)C[C@@H]1n1ccnn1	ZINC001129978197	938593652	/nfs/dbraw/zinc/59/36/52/938593652.db2.gz	VIKGSUZTESFCIL-MSOLQXFVSA-N	1	0	365.441	1.315	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)OC	ZINC000804879928	938598041	/nfs/dbraw/zinc/59/80/41/938598041.db2.gz	IVYXYZXHLNMTEB-CQSZACIVSA-N	1	0	369.462	1.115	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@]23C[C@H]2CCCC3)C[C@@H]1n1ccnn1	ZINC001129997622	938605813	/nfs/dbraw/zinc/60/58/13/938605813.db2.gz	VBRNFMWHVKSABG-VXIBKDFQSA-N	1	0	359.474	1.403	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C(C2CCC2)C2CCC2)C[C@@H]1n1ccnn1	ZINC001129986970	938610349	/nfs/dbraw/zinc/61/03/49/938610349.db2.gz	SNSBVXOSGHMUCL-MSOLQXFVSA-N	1	0	355.486	1.859	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001129988325	938611247	/nfs/dbraw/zinc/61/12/47/938611247.db2.gz	MNWPRKKNOVSRJE-MOPGFXCFSA-N	1	0	351.454	1.666	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)NC1CC[NH+](CC(=C)C)CC1)c1ccncc1	ZINC000804895756	938611499	/nfs/dbraw/zinc/61/14/99/938611499.db2.gz	OBEDAOHBERXYJO-GOSISDBHSA-N	1	0	356.470	1.972	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)c(F)c2F)C[C@@H]1n1ccnn1	ZINC001130014971	938616188	/nfs/dbraw/zinc/61/61/88/938616188.db2.gz	KHTIFWKWNKUPOF-CABCVRRESA-N	1	0	359.380	1.543	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccc(C)[nH]c2=O)C[C@@H]1n1ccnn1	ZINC001130020639	938619562	/nfs/dbraw/zinc/61/95/62/938619562.db2.gz	PLKCZSWRCRMTQF-XYPHTWIQSA-N	1	0	370.457	1.697	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc(OC)c2C)C[C@@H]1n1ccnn1	ZINC001130020713	938619881	/nfs/dbraw/zinc/61/98/81/938619881.db2.gz	TYMWYQCWKLIAJN-SJORKVTESA-N	1	0	355.442	1.827	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cccc(F)c2)C[C@@H]1n1ccnn1	ZINC001130005864	938623012	/nfs/dbraw/zinc/62/30/12/938623012.db2.gz	KBUANBBDKUGNAG-MSOLQXFVSA-N	1	0	369.444	1.760	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)c(OCC)c2)C[C@@H]1n1ccnn1	ZINC001130026158	938629182	/nfs/dbraw/zinc/62/91/82/938629182.db2.gz	DGNLWXYYOACOKO-MSOLQXFVSA-N	1	0	367.453	1.664	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc(C(C)C)nc2C)C[C@@H]1n1ccnn1	ZINC001130027949	938630210	/nfs/dbraw/zinc/63/02/10/938630210.db2.gz	DIYKGDSYQBLVGS-SJORKVTESA-N	1	0	369.473	1.731	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)CC(C)(C)C)C[C@@H]1n1ccnn1	ZINC001130030806	938632251	/nfs/dbraw/zinc/63/22/51/938632251.db2.gz	RXPSYBULXCGOMU-BBWFWOEESA-N	1	0	363.506	1.895	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2oc(C3CC3)nc2C)C[C@@H]1n1ccnn1	ZINC001130032652	938633431	/nfs/dbraw/zinc/63/34/31/938633431.db2.gz	LYHWMADPBKPBRQ-CABCVRRESA-N	1	0	354.414	1.131	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)c2c(C)noc2C)C[C@@H]1n1ccnn1	ZINC001130038102	938636085	/nfs/dbraw/zinc/63/60/85/938636085.db2.gz	LTXFFPITIWCMIJ-BBWFWOEESA-N	1	0	370.457	1.442	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(CC)nn2C)C[C@@H]1n1ccnn1	ZINC001130054798	938640066	/nfs/dbraw/zinc/64/00/66/938640066.db2.gz	PZJXJUIUEPOSAY-WBVHZDCISA-N	1	0	357.462	1.196	20	30		FDEDRO
C#CCCCS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO	ZINC000805053474	938654032	/nfs/dbraw/zinc/65/40/32/938654032.db2.gz	RFZZPGIMMYKGIP-ROUUACIJSA-N	1	0	350.484	1.202	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ncsc2C(C)C)C[C@@H]1n1ccnn1	ZINC001130081538	938662928	/nfs/dbraw/zinc/66/29/28/938662928.db2.gz	UPRBFRMMCRLLHU-KGLIPLIRSA-N	1	0	358.471	1.537	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c3c(nn2C)CCC3)C[C@@H]1n1ccnn1	ZINC001130081559	938662973	/nfs/dbraw/zinc/66/29/73/938662973.db2.gz	VUERKWCNBNGZAZ-SJORKVTESA-N	1	0	369.473	1.122	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c3cccnc23)C[C@@H]1n1ccnn1	ZINC001130083617	938664930	/nfs/dbraw/zinc/66/49/30/938664930.db2.gz	DGKMEPYLVYABLO-SJORKVTESA-N	1	0	365.441	1.776	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(CC)c(CC)o2)C[C@@H]1n1ccnn1	ZINC001130085837	938666685	/nfs/dbraw/zinc/66/66/85/938666685.db2.gz	AFHMAXBOXUMKQG-CVEARBPZSA-N	1	0	355.442	1.675	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn(CCCC)c2C)C[C@@H]1n1ccnn1	ZINC001130077494	938670669	/nfs/dbraw/zinc/67/06/69/938670669.db2.gz	LDTSFWFFICCFQY-MSOLQXFVSA-N	1	0	371.489	1.815	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2csc(Cl)n2)C[C@@H]1n1ccnn1	ZINC001130077538	938670891	/nfs/dbraw/zinc/67/08/91/938670891.db2.gz	MXJMMOZICFXFQM-PWSUYJOCSA-N	1	0	350.835	1.067	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cn(CCCC)nc2C)C[C@@H]1n1ccnn1	ZINC001130077748	938671342	/nfs/dbraw/zinc/67/13/42/938671342.db2.gz	XNUITBPKLDPKDP-MSOLQXFVSA-N	1	0	369.473	1.262	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3nc(C)ccc3o2)C[C@@H]1n1ccnn1	ZINC001130096821	938681189	/nfs/dbraw/zinc/68/11/89/938681189.db2.gz	SNQRWMWWQWGTGH-CVEARBPZSA-N	1	0	364.409	1.406	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]c3ccccc23)C[C@@H]1n1ccnn1	ZINC001130099954	938682530	/nfs/dbraw/zinc/68/25/30/938682530.db2.gz	SBBDJFVTAXSKKJ-MOPGFXCFSA-N	1	0	362.437	1.367	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)COC[C@H](C)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130107733	938687771	/nfs/dbraw/zinc/68/77/71/938687771.db2.gz	YEABONXDOWZNOL-UHOSZYNNSA-N	1	0	369.469	1.626	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn(CC(C)C)c2C)C[C@@H]1n1ccnn1	ZINC001130109578	938688357	/nfs/dbraw/zinc/68/83/57/938688357.db2.gz	BOWNBRQKPVGANE-MSOLQXFVSA-N	1	0	369.473	1.118	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3ccc(Cl)cc32)C[C@@H]1n1ccnn1	ZINC001130110063	938688924	/nfs/dbraw/zinc/68/89/24/938688924.db2.gz	RYUJLGXIBFQYNL-KURKYZTESA-N	1	0	369.856	1.636	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2csc(C)n2)C[C@@H]1n1ccnn1	ZINC001130114756	938693805	/nfs/dbraw/zinc/69/38/05/938693805.db2.gz	ASQFATHXSAQREF-CVEARBPZSA-N	1	0	360.487	1.593	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ncc3n2CCCC3)C[C@@H]1n1ccnn1	ZINC001130127648	938697680	/nfs/dbraw/zinc/69/76/80/938697680.db2.gz	BIZXHTAPCHYGQP-CVEARBPZSA-N	1	0	355.446	1.042	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c(C)noc2CC)C[C@@H]1n1ccnn1	ZINC001130118822	938702051	/nfs/dbraw/zinc/70/20/51/938702051.db2.gz	PPUPDZBXCITFEW-CABCVRRESA-N	1	0	358.446	1.758	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)c(F)c(C)c2)C[C@@H]1n1ccnn1	ZINC001130132882	938707977	/nfs/dbraw/zinc/70/79/77/938707977.db2.gz	URUDAJOHKJVNTA-SJORKVTESA-N	1	0	355.417	1.713	20	30		FDEDRO
CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130133761	938708243	/nfs/dbraw/zinc/70/82/43/938708243.db2.gz	BUECUGWJOOWEOX-UHOSZYNNSA-N	1	0	367.453	1.096	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2cccc(F)c2)C[C@@H]1n1ccnn1	ZINC001130148086	938712756	/nfs/dbraw/zinc/71/27/56/938712756.db2.gz	FCRXBXITIALBBK-IPELMVKDSA-N	1	0	369.444	1.661	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]([NH2+]C[C@@H](C)O)[C@@H](n3ccnn3)C2)CCCCC1	ZINC001130143443	938714483	/nfs/dbraw/zinc/71/44/83/938714483.db2.gz	UKXVUIJAGCOXBG-ZACQAIPSSA-N	1	0	361.490	1.527	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)CCCCC1	ZINC001130143564	938714887	/nfs/dbraw/zinc/71/48/87/938714887.db2.gz	ZQJZXUCEEFIWIW-SJORKVTESA-N	1	0	361.490	1.529	20	30		FDEDRO
C=C[C@H](C(=O)N1C[C@@H]([NH2+]CCOCC)[C@@H](n2ccnn2)C1)c1ccccc1	ZINC001130143514	938714912	/nfs/dbraw/zinc/71/49/12/938714912.db2.gz	XETGMWFKKFRFLF-OTWHNJEPSA-N	1	0	369.469	1.626	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COC2CCC(C)CC2)C[C@@H]1n1ccnn1	ZINC001130153309	938717203	/nfs/dbraw/zinc/71/72/03/938717203.db2.gz	JHDOXRMHCQBZMV-HIEASXQVSA-N	1	0	359.474	1.238	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCCn2ccnc2)C[C@@H]1n1ccnn1	ZINC001130158273	938719866	/nfs/dbraw/zinc/71/98/66/938719866.db2.gz	AYKKGRAMCDDFOY-KURKYZTESA-N	1	0	371.489	1.651	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)n(C(C)C)n2)C[C@@H]1n1ccnn1	ZINC001130159039	938720475	/nfs/dbraw/zinc/72/04/75/938720475.db2.gz	ZAYYAGZCYPBNLX-SJORKVTESA-N	1	0	355.446	1.043	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)CCOc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130158827	938720518	/nfs/dbraw/zinc/72/05/18/938720518.db2.gz	UIEJOEJRLPTCSH-QRQLOZEOSA-N	1	0	369.469	1.911	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](OC)C2CCCCC2)C[C@@H]1n1ccnn1	ZINC001130161565	938721684	/nfs/dbraw/zinc/72/16/84/938721684.db2.gz	ZKXOOUGHYRUMHN-SQNIBIBYSA-N	1	0	359.474	1.238	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(F)F)[nH]1	ZINC001130175498	938723712	/nfs/dbraw/zinc/72/37/12/938723712.db2.gz	MNPJADWPKUOWKS-SRVKXCTJSA-N	1	0	357.405	1.503	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=Cc2ccco2)[nH]1	ZINC001130177497	938724892	/nfs/dbraw/zinc/72/48/92/938724892.db2.gz	CYGBGVHEXKLVJK-WHJWBVKISA-N	1	0	357.414	1.375	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccoc2C)[nH]1	ZINC001130187801	938734049	/nfs/dbraw/zinc/73/40/49/938734049.db2.gz	JYHHBGRTGCCKEG-GJZGRUSLSA-N	1	0	359.430	1.674	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](CC)OCC)[nH]1	ZINC001130191008	938736558	/nfs/dbraw/zinc/73/65/58/938736558.db2.gz	YOEUTTQXSVYZRF-ZNMIVQPWSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=CCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCC[C@@H](C)O)[nH]1	ZINC001130192936	938737343	/nfs/dbraw/zinc/73/73/43/938737343.db2.gz	BNTMKHAYQPPVKB-ILXRZTDVSA-N	1	0	365.478	1.010	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cnccc2C)[nH]1	ZINC001130196064	938739406	/nfs/dbraw/zinc/73/94/06/938739406.db2.gz	PWLPDCHPWDWFBC-HOCLYGCPSA-N	1	0	370.457	1.476	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccsc2)[nH]1	ZINC001130182799	938741556	/nfs/dbraw/zinc/74/15/56/938741556.db2.gz	CGMJOGODPXOJOF-KBPBESRZSA-N	1	0	361.471	1.834	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCSC)[nH]1	ZINC001130183250	938742658	/nfs/dbraw/zinc/74/26/58/938742658.db2.gz	YKFFADCNOBRGHQ-KBPBESRZSA-N	1	0	367.519	1.602	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc[nH]c2CC)n1	ZINC001130207937	938747269	/nfs/dbraw/zinc/74/72/69/938747269.db2.gz	XKWVYWMGEWBZQC-HOCLYGCPSA-N	1	0	370.457	1.111	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)n1	ZINC001130213303	938750375	/nfs/dbraw/zinc/75/03/75/938750375.db2.gz	ZFIGHJFPVZYJJJ-JONQDZQNSA-N	1	0	373.501	1.589	20	30		FDEDRO
C=C(C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@@H](C)COC)[nH]1	ZINC001130216315	938752587	/nfs/dbraw/zinc/75/25/87/938752587.db2.gz	SVAARRLGONILMN-KKUMJFAQSA-N	1	0	365.478	1.274	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cccc(F)c2C)n1	ZINC001130216493	938752995	/nfs/dbraw/zinc/75/29/95/938752995.db2.gz	YSZKFSWGHVADGQ-HOCLYGCPSA-N	1	0	371.416	1.278	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=CC(C)(C)C)[nH]1	ZINC001130202782	938755486	/nfs/dbraw/zinc/75/54/86/938755486.db2.gz	KPAPYIASUSMZFL-SKJVMOOOSA-N	1	0	359.474	1.509	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCC2(F)F)[nH]1	ZINC001130221173	938756684	/nfs/dbraw/zinc/75/66/84/938756684.db2.gz	YEUVQJLEAUEUEE-AVGNSLFASA-N	1	0	369.416	1.504	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)C(=C)C)[nH]1	ZINC001130225077	938759312	/nfs/dbraw/zinc/75/93/12/938759312.db2.gz	REVBETHOAYFTON-GJZGRUSLSA-N	1	0	359.474	1.509	20	30		FDEDRO
C=CC(C)(C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC(=C)Cl)n[nH]1	ZINC001130227742	938761763	/nfs/dbraw/zinc/76/17/63/938761763.db2.gz	NBZUZVQOHBCGLH-STQMWFEESA-N	1	0	367.881	1.848	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@]2(C)C=CCC2)[nH]1	ZINC001130227792	938761880	/nfs/dbraw/zinc/76/18/80/938761880.db2.gz	PEOJRVFBPBJUFG-YZVOILCLSA-N	1	0	357.458	1.263	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC#CC)n[nH]1	ZINC001130232467	938765126	/nfs/dbraw/zinc/76/51/26/938765126.db2.gz	IHMISNPPDJIOFD-JYJNAYRXSA-N	1	0	359.474	1.509	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C(C)C)CC2)[nH]1	ZINC001130234750	938766172	/nfs/dbraw/zinc/76/61/72/938766172.db2.gz	JSJAFBLPYDRYDL-GJZGRUSLSA-N	1	0	359.474	1.343	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCC(F)(F)F)CC1	ZINC001130280871	938778693	/nfs/dbraw/zinc/77/86/93/938778693.db2.gz	ALVLETRZPHPTKC-CJNGLKHVSA-N	1	0	359.392	1.438	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CO[C@@H](C)CC)CC1	ZINC001130281598	938779527	/nfs/dbraw/zinc/77/95/27/938779527.db2.gz	JWIWDSBNZZNTQJ-VPWXQRGCSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCC[C@H](C)[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COC)CC1	ZINC001130266875	938782936	/nfs/dbraw/zinc/78/29/36/938782936.db2.gz	VWXMUCBLFAKSMX-GMBSWORKSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCCC(C)=O)CC1	ZINC001130269374	938784074	/nfs/dbraw/zinc/78/40/74/938784074.db2.gz	MNNJELXLUTVZHD-XLIONFOSSA-N	1	0	363.502	1.797	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC(C)C)CC1	ZINC001130278758	938788784	/nfs/dbraw/zinc/78/87/84/938788784.db2.gz	APAOFKZWDGYXEX-APWZRJJASA-N	1	0	351.491	1.320	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)CSC)CC1	ZINC001130285549	938790356	/nfs/dbraw/zinc/79/03/56/938790356.db2.gz	JNUUOBNCIXEUEJ-KYJSFNMBSA-N	1	0	365.543	1.484	20	30		FDEDRO
COCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C#CC(C)(C)C)CC1	ZINC001130290873	938795361	/nfs/dbraw/zinc/79/53/61/938795361.db2.gz	PJSPOGSHDHPJQG-APWZRJJASA-N	1	0	363.502	1.158	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH+](CCF)CC2)CCC1	ZINC001130290848	938795382	/nfs/dbraw/zinc/79/53/82/938795382.db2.gz	NTGKAHVQZWLDGR-AEFFLSMTSA-N	1	0	363.477	1.625	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2(C(F)F)CCC2)CC1	ZINC001130295590	938797749	/nfs/dbraw/zinc/79/77/49/938797749.db2.gz	JDVYSZSZDUTBAM-ZBFHGGJFSA-N	1	0	367.440	1.530	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1)[C@H]1CCCO1	ZINC000805636399	938799568	/nfs/dbraw/zinc/79/95/68/938799568.db2.gz	PKHWQLWBYSRPRQ-YESZJQIVSA-N	1	0	363.502	1.300	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)CCOC)CC1	ZINC001130306894	938804839	/nfs/dbraw/zinc/80/48/39/938804839.db2.gz	CUOPMDZXSRRNLD-WDYCEAGBSA-N	1	0	363.502	1.158	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC(C2CC2)C2CC2)CC1	ZINC001130307442	938805197	/nfs/dbraw/zinc/80/51/97/938805197.db2.gz	QAAZGJBVDAYAQL-KNQAVFIVSA-N	1	0	371.525	1.921	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC(=C)C)CC1	ZINC001130312973	938807504	/nfs/dbraw/zinc/80/75/04/938807504.db2.gz	HEFWESIZXAGQMJ-WDYCEAGBSA-N	1	0	363.502	1.629	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)OCC=C)CC1	ZINC001130313174	938807870	/nfs/dbraw/zinc/80/78/70/938807870.db2.gz	OJUQEBGBQMQSSZ-SUMDDJOVSA-N	1	0	363.502	1.629	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CC[C@@H](C)O2)C1	ZINC001130423536	938844434	/nfs/dbraw/zinc/84/44/34/938844434.db2.gz	RSGLEYPOPYQERF-BFYDXBDKSA-N	1	0	360.458	1.033	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2ccccc2F)C[C@H]1c1cn(C)cn1	ZINC001130476494	938867581	/nfs/dbraw/zinc/86/75/81/938867581.db2.gz	RAAQMRUTKWPCAL-QFBILLFUSA-N	1	0	370.428	1.407	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1c1cn(C)cn1	ZINC001130493644	938872937	/nfs/dbraw/zinc/87/29/37/938872937.db2.gz	HTKHCYRHOBJNLB-GRDNDAEWSA-N	1	0	370.457	1.468	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCC(C)C)C[C@H]1c1cn(C)cn1	ZINC001130490643	938881010	/nfs/dbraw/zinc/88/10/10/938881010.db2.gz	NDTBGSBGBUEBJN-DOTOQJQBSA-N	1	0	361.490	1.043	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CC(F)(F)F)C[C@H]1c1cn(C)cn1	ZINC001130516264	938893703	/nfs/dbraw/zinc/89/37/03/938893703.db2.gz	CJDPKHPYKBZJEJ-GXTWGEPZSA-N	1	0	360.380	1.459	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCCOC)C1	ZINC001130576186	939879168	/nfs/dbraw/zinc/87/91/68/939879168.db2.gz	KPCSCQIGGYLGMX-PKOBYXMFSA-N	1	0	360.502	1.924	20	30		FDEDRO
CO[C@H](C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1cn(C)cn1)C1CCC1	ZINC001130587439	939887924	/nfs/dbraw/zinc/88/79/24/939887924.db2.gz	NYIFXAMKOBITJH-DFQSSKMNSA-N	1	0	370.497	1.533	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2ccn(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130599042	939904734	/nfs/dbraw/zinc/90/47/34/939904734.db2.gz	FCSSMEXVXFWVBC-PKOBYXMFSA-N	1	0	370.501	1.637	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)CCCC3)C[C@H]1c1cn(C)cn1	ZINC001130602448	939914193	/nfs/dbraw/zinc/91/41/93/939914193.db2.gz	BIBSBKMJTOKAAL-DOTOQJQBSA-N	1	0	366.469	1.174	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCF)C1)OCC	ZINC001130602843	939914538	/nfs/dbraw/zinc/91/45/38/939914538.db2.gz	QBQPAWSQXSJUMK-UAGQMJEPSA-N	1	0	352.454	1.645	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOC)C1)OCC	ZINC001130602912	939915037	/nfs/dbraw/zinc/91/50/37/939915037.db2.gz	UPLYJKPPNPSNAW-CGTJXYLNSA-N	1	0	364.490	1.322	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#CCOC)C1	ZINC001130604956	939916319	/nfs/dbraw/zinc/91/63/19/939916319.db2.gz	RFTLJMGQXLQRAF-FUHWJXTLSA-N	1	0	358.486	1.556	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(C)cc2)C[C@H]1c1cn(C)cn1	ZINC001130624390	939922290	/nfs/dbraw/zinc/92/22/90/939922290.db2.gz	UIMYJNKVOYBTQA-AZUAARDMSA-N	1	0	350.466	1.879	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1cn(C)cn1	ZINC001130628411	939922628	/nfs/dbraw/zinc/92/26/28/939922628.db2.gz	QCWNOMQAZJQPAC-XDKCKUNGSA-N	1	0	370.497	1.694	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2cncc(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130626015	939923636	/nfs/dbraw/zinc/92/36/36/939923636.db2.gz	GQTZTBVGGVJLCT-AZUAARDMSA-N	1	0	365.481	1.664	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc3nccn32)C[C@H]1c1cn(C)cn1	ZINC001130626354	939923975	/nfs/dbraw/zinc/92/39/75/939923975.db2.gz	KSZFMFMLKJXSLO-DOTOQJQBSA-N	1	0	364.453	1.842	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2nc(C)c(C)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130627215	939924919	/nfs/dbraw/zinc/92/49/19/939924919.db2.gz	ZLJGPSMZHBPSKA-FUHWJXTLSA-N	1	0	366.469	1.356	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c(C)nn(C)c2C)C[C@H]1c1cn(C)cn1	ZINC001130635003	939937255	/nfs/dbraw/zinc/93/72/55/939937255.db2.gz	DSNJKYLXUURJIZ-FUHWJXTLSA-N	1	0	370.501	1.934	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2csnn2)C[C@H]1c1cn(C)cn1	ZINC001130635302	939937787	/nfs/dbraw/zinc/93/77/87/939937787.db2.gz	SRJRHNDXNUQFTQ-VNHYZAJKSA-N	1	0	360.487	1.824	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)on2)C[C@H]1c1cn(C)cn1	ZINC001130637981	939940247	/nfs/dbraw/zinc/94/02/47/939940247.db2.gz	VRULSNPTZSVHDX-WMLDXEAASA-N	1	0	353.426	1.507	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@@H](C)OC)C1	ZINC001130639444	939941580	/nfs/dbraw/zinc/94/15/80/939941580.db2.gz	COILTYGWGNTJRQ-ZIFCJYIRSA-N	1	0	360.502	1.923	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CC2CC(OCC)C2)C[C@H]1c1cn(C)cn1	ZINC001130652327	939946504	/nfs/dbraw/zinc/94/65/04/939946504.db2.gz	PFZGDNVMGAAZIF-BXNZUYAZSA-N	1	0	358.486	1.533	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC=CCC2)C[C@H]1c1cn(C)cn1	ZINC001130642696	939950125	/nfs/dbraw/zinc/95/01/25/939950125.db2.gz	ZNLXGSBEQNSMET-CMKODMSKSA-N	1	0	370.497	1.700	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)cc2C)C[C@H]1c1cn(C)cn1	ZINC001130662281	939967409	/nfs/dbraw/zinc/96/74/09/939967409.db2.gz	PJYOYFXAGNOVNI-AZUAARDMSA-N	1	0	366.465	1.958	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@]23C[C@H]2CCCC3)C[C@H]1c1cn(C)cn1	ZINC001130672308	939971562	/nfs/dbraw/zinc/97/15/62/939971562.db2.gz	MDTWTYUIDHXRQP-SHJAMOMRSA-N	1	0	370.497	1.534	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2cccnc2C)C[C@H]1c1cn(C)cn1	ZINC001130672754	939971924	/nfs/dbraw/zinc/97/19/24/939971924.db2.gz	YKJDQTQFAPQNRR-PKOBYXMFSA-N	1	0	351.454	1.274	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3cccnn32)C[C@H]1c1cn(C)cn1	ZINC001130687584	939977096	/nfs/dbraw/zinc/97/70/96/939977096.db2.gz	HFEKTEAVSWYXAM-FUHWJXTLSA-N	1	0	362.437	1.289	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2csc(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130687872	939977937	/nfs/dbraw/zinc/97/79/37/939977937.db2.gz	VCNNMERFJYQYOS-FUHWJXTLSA-N	1	0	371.510	1.725	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cn2nccc2C)C[C@H]1c1cn(C)cn1	ZINC001130682661	939982272	/nfs/dbraw/zinc/98/22/72/939982272.db2.gz	HFHZZUYCKJSPSH-FUHWJXTLSA-N	1	0	356.474	1.475	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1c1cn(C)cn1	ZINC001130695087	939989837	/nfs/dbraw/zinc/98/98/37/939989837.db2.gz	CXCNJJCGGTVAPW-GOEBONIOSA-N	1	0	357.462	1.482	20	30		FDEDRO
C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCC(=O)N(C)OC	ZINC000806625791	939990939	/nfs/dbraw/zinc/99/09/39/939990939.db2.gz	SSCKLESBVCLLKO-UHFFFAOYSA-N	1	0	367.519	1.995	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(CC)nn2C)C[C@H]1c1cn(C)cn1	ZINC001130698190	939992382	/nfs/dbraw/zinc/99/23/82/939992382.db2.gz	DGWDBQFCRDJBHJ-FUHWJXTLSA-N	1	0	370.501	1.880	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2c(C)n[nH]c2C)C[C@H]1c1cn(C)cn1	ZINC001130698865	939992775	/nfs/dbraw/zinc/99/27/75/939992775.db2.gz	VLFIUUIXUIBFPH-QANKJYHBSA-N	1	0	368.485	1.471	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2C(C)(C)C)C[C@H]1c1cn(C)cn1	ZINC001130710221	939998386	/nfs/dbraw/zinc/99/83/86/939998386.db2.gz	QQZUJTOEYCWDTL-DOTOQJQBSA-N	1	0	368.485	1.662	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130710440	939998427	/nfs/dbraw/zinc/99/84/27/939998427.db2.gz	WNBIHWOXDVXKSV-IJEWVQPXSA-N	1	0	357.462	1.020	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCCc2nc(C)no2)C[C@H]1c1cn(C)cn1	ZINC001130728901	940017646	/nfs/dbraw/zinc/01/76/46/940017646.db2.gz	OTLZPTDATLKAJQ-DOTOQJQBSA-N	1	0	370.457	1.042	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(CC=C)CCOCC2)C[C@H]1c1cn(C)cn1	ZINC001130723335	940028087	/nfs/dbraw/zinc/02/80/87/940028087.db2.gz	JJIHXSIRTXIYQN-PKOBYXMFSA-N	1	0	370.497	1.700	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCOCc2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130734506	940034645	/nfs/dbraw/zinc/03/46/45/940034645.db2.gz	UQUHZDOFDSSMFR-AZUAARDMSA-N	1	0	366.465	1.544	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CNC(=O)[C@H](C)CC)C[C@H]1c1cn(C)cn1	ZINC001130731519	940045000	/nfs/dbraw/zinc/04/50/00/940045000.db2.gz	IAVHQDKGUKUXJV-HLLBOEOZSA-N	1	0	361.490	1.043	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccccc3C)n2)O1	ZINC001130749754	940057062	/nfs/dbraw/zinc/05/70/62/940057062.db2.gz	QDSIUHXFIKVEDH-GOEBONIOSA-N	1	0	353.426	1.486	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(C)nc3)n2)O1	ZINC001130761612	940067396	/nfs/dbraw/zinc/06/73/96/940067396.db2.gz	CXRIABLHTVFLFN-JKSUJKDBSA-N	1	0	370.457	1.824	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccn[nH]3)n2)O1	ZINC001130762166	940069327	/nfs/dbraw/zinc/06/93/27/940069327.db2.gz	NNVGZFLHKBRJDJ-CMPLNLGQSA-N	1	0	365.825	1.020	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccccc3O)n2)O1	ZINC001130757656	940081549	/nfs/dbraw/zinc/08/15/49/940081549.db2.gz	DWADUWWDJIZAAE-XJKSGUPXSA-N	1	0	371.441	1.826	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3scnc3C)n2)O1	ZINC001130765403	940096454	/nfs/dbraw/zinc/09/64/54/940096454.db2.gz	QQWWDHCELPTWHQ-NWDGAFQWSA-N	1	0	362.459	1.495	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)SC)n2)O1	ZINC001130767202	940099813	/nfs/dbraw/zinc/09/98/13/940099813.db2.gz	CIVZEKSTZFFWKX-RWMBFGLXSA-N	1	0	353.492	1.558	20	30		FDEDRO
CC/C=C\CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)C#N)n2)O1	ZINC001130769266	940105938	/nfs/dbraw/zinc/10/59/38/940105938.db2.gz	AIQCKLSSJHPOTI-REBNAPPDSA-N	1	0	360.462	1.747	20	30		FDEDRO
CC(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C#CC3CC3)n2)O1	ZINC001130785213	940119413	/nfs/dbraw/zinc/11/94/13/940119413.db2.gz	GBAQGWKWYABZEF-JKSUJKDBSA-N	1	0	359.474	1.690	20	30		FDEDRO
CC[C@@H](C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C#CC3CC3)n2)O1	ZINC001130785042	940119500	/nfs/dbraw/zinc/11/95/00/940119500.db2.gz	BRJMELLPXWFRKA-VNQPRFMTSA-N	1	0	359.474	1.690	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC3(F)F)n2)O1	ZINC001130778096	940131068	/nfs/dbraw/zinc/13/10/68/940131068.db2.gz	FRCGPAZWDQRJQH-YNEHKIRRSA-N	1	0	369.416	1.852	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3c(C)coc3C)n2)O1	ZINC001130780815	940135230	/nfs/dbraw/zinc/13/52/30/940135230.db2.gz	FDXPFRHWJAYLSA-UONOGXRCSA-N	1	0	357.414	1.387	20	30		FDEDRO
C#CCCCNC(=O)C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1	ZINC000806912136	940139780	/nfs/dbraw/zinc/13/97/80/940139780.db2.gz	WCILPMIWCKIMDR-PKOBYXMFSA-N	1	0	355.482	1.933	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC(C)(C)COC)n2)O1	ZINC001130793805	940143998	/nfs/dbraw/zinc/14/39/98/940143998.db2.gz	AXKUDIVYSSYSHL-UONOGXRCSA-N	1	0	365.478	1.479	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCC3(C)C)n2)O1	ZINC001130795928	940148762	/nfs/dbraw/zinc/14/87/62/940148762.db2.gz	DZRJIUFFAYUWDS-SOUVJXGZSA-N	1	0	359.474	1.690	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCOC)O2)n[nH]1	ZINC001130796086	940149865	/nfs/dbraw/zinc/14/98/65/940149865.db2.gz	HTQRNPXEIASSIL-SOUVJXGZSA-N	1	0	365.478	1.479	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(CF)CC3)n2)O1	ZINC001130805366	940177438	/nfs/dbraw/zinc/17/74/38/940177438.db2.gz	YAWSMDKZDIPHIQ-NWDGAFQWSA-N	1	0	371.844	1.733	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](CCC)OC)n2)O1	ZINC001130799340	940191322	/nfs/dbraw/zinc/19/13/22/940191322.db2.gz	CFPFHZHWELZFLY-RRFJBIMHSA-N	1	0	365.478	1.622	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(C)(C)C3CC3)n2)O1	ZINC001130799702	940194177	/nfs/dbraw/zinc/19/41/77/940194177.db2.gz	SUVHCPQUZWQECA-LSDHHAIUSA-N	1	0	359.474	1.690	20	30		FDEDRO
CC#CCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1	ZINC001130802365	940196777	/nfs/dbraw/zinc/19/67/77/940196777.db2.gz	QFSVFYMJWHXYJW-UONOGXRCSA-N	1	0	351.426	1.394	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(F)c(C)c3)n2)O1	ZINC001130802298	940196900	/nfs/dbraw/zinc/19/69/00/940196900.db2.gz	MTSLTMPOZDEIRA-GOEBONIOSA-N	1	0	371.416	1.625	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3COCCO3)C2)ccc1F	ZINC001086647197	940200852	/nfs/dbraw/zinc/20/08/52/940200852.db2.gz	FATBPXLJGIHBPG-LESCRADOSA-N	1	0	361.417	1.487	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3ccco3)n2)O1	ZINC001130813370	940211644	/nfs/dbraw/zinc/21/16/44/940211644.db2.gz	MUUGJSSONXDEIM-LSDHHAIUSA-N	1	0	359.430	1.642	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cn[nH]c2)C1	ZINC001086650493	940305395	/nfs/dbraw/zinc/30/53/95/940305395.db2.gz	ADACVFFFHMLTQT-WMLDXEAASA-N	1	0	353.426	1.978	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1	ZINC000807354113	940318783	/nfs/dbraw/zinc/31/87/83/940318783.db2.gz	FUUOCDHNWLURBO-WBVHZDCISA-N	1	0	355.438	1.722	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnc(C)nc2)C1	ZINC001130935880	940332033	/nfs/dbraw/zinc/33/20/33/940332033.db2.gz	PKPNDBCSEDLMBE-IAGOWNOFSA-N	1	0	354.458	1.569	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cc(C)n[nH]2)C[C@H]1c1cncn1C	ZINC001130953650	940373771	/nfs/dbraw/zinc/37/37/71/940373771.db2.gz	IIYYLOABBKVWFK-BMGDILEWSA-N	1	0	370.501	1.933	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCc2ccns2)C1	ZINC001130971328	940379582	/nfs/dbraw/zinc/37/95/82/940379582.db2.gz	JTTWFXLKWKOSJH-IAGOWNOFSA-N	1	0	371.510	1.807	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2ncc[nH]2)C[C@H]1c1cncn1C	ZINC001130972921	940383724	/nfs/dbraw/zinc/38/37/24/940383724.db2.gz	HEEZNMLPDSSXDF-HZPDHXFCSA-N	1	0	356.474	1.626	20	30		FDEDRO
CCC(=CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CCOC)C1)CC	ZINC001130964450	940385547	/nfs/dbraw/zinc/38/55/47/940385547.db2.gz	LNCAJPSOILYYPT-QZTJIDSGSA-N	1	0	358.486	1.700	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cccnc2)C1	ZINC001130978175	940391090	/nfs/dbraw/zinc/39/10/90/940391090.db2.gz	VUXPRRWPXQZFGZ-QZTJIDSGSA-N	1	0	351.454	1.703	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2nccc(C)n2)C[C@H]1c1cncn1C	ZINC001130975704	940404019	/nfs/dbraw/zinc/40/40/19/940404019.db2.gz	MYUFFSZYGAOGNS-HZPDHXFCSA-N	1	0	354.458	1.683	20	30		FDEDRO
Cn1cncc1[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1[NH2+]C/C=C\Cl	ZINC001130975874	940404134	/nfs/dbraw/zinc/40/41/34/940404134.db2.gz	WEXOYZHMVHWMQK-OKYAQOQYSA-N	1	0	358.833	1.570	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cncc(F)c2)C1	ZINC001130977912	940408971	/nfs/dbraw/zinc/40/89/71/940408971.db2.gz	GZNFSTITAISAFD-QZTJIDSGSA-N	1	0	369.444	1.842	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CO[C@H]2CCOC2)C[C@H]1c1cncn1C	ZINC001130988708	940410746	/nfs/dbraw/zinc/41/07/46/940410746.db2.gz	KHIPNTGZPFRKFK-GVDBMIGSSA-N	1	0	362.474	1.076	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCC(C)C)C1	ZINC001130988920	940411331	/nfs/dbraw/zinc/41/13/31/940411331.db2.gz	POEYCVNUOCCQCC-RCCFBDPRSA-N	1	0	360.502	1.779	20	30		FDEDRO
Cn1cncc1[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]CCC[C@@H]1CCOC1	ZINC001130985871	940423469	/nfs/dbraw/zinc/42/34/69/940423469.db2.gz	SRMBRMVAFLWICH-GUDVDZBRSA-N	1	0	370.497	1.534	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]C(C)C)C2)CCOCC1	ZINC001131007584	940433775	/nfs/dbraw/zinc/43/37/75/940433775.db2.gz	BFENTMSWPVSFRX-IAGOWNOFSA-N	1	0	358.486	1.533	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H](OCC)C(C)C)C[C@H]1c1cncn1C	ZINC001131008011	940434454	/nfs/dbraw/zinc/43/44/54/940434454.db2.gz	RQGVDCLHVNQKLH-LMMKCTJWSA-N	1	0	360.502	1.779	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cncc(OC)c2C)C[C@H]1c1cncn1C	ZINC001131017982	940439232	/nfs/dbraw/zinc/43/92/32/940439232.db2.gz	WMUZAGPNCAGMGO-IAGOWNOFSA-N	1	0	367.453	1.353	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COCC2CCCC2)C[C@H]1c1cncn1C	ZINC001131010177	940440853	/nfs/dbraw/zinc/44/08/53/940440853.db2.gz	CTIDOAZPOWAVTL-QZTJIDSGSA-N	1	0	358.486	1.534	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCCc2ncc(C)o2)C[C@H]1c1cncn1C	ZINC001131010096	940440937	/nfs/dbraw/zinc/44/09/37/940440937.db2.gz	ACCVNAUYZYKONB-IAGOWNOFSA-N	1	0	369.469	1.647	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn3ccncc23)C[C@H]1c1cncn1C	ZINC001131010279	940441198	/nfs/dbraw/zinc/44/11/98/940441198.db2.gz	GZIBDDYFXFOBLW-HZPDHXFCSA-N	1	0	365.441	1.237	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnc(C3CC3)o2)C[C@H]1c1cncn1C	ZINC001131010263	940441277	/nfs/dbraw/zinc/44/12/77/940441277.db2.gz	GKVBGICBWWCKPE-HUUCEWRRSA-N	1	0	353.426	1.507	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1c1cncn1C	ZINC001131012108	940443743	/nfs/dbraw/zinc/44/37/43/940443743.db2.gz	BMSUXTCLTDJEMN-RBSFLKMASA-N	1	0	361.490	1.170	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc3n[nH]cc3c2)C[C@H]1c1cncn1C	ZINC001131015209	940448702	/nfs/dbraw/zinc/44/87/02/940448702.db2.gz	ROYJJHOQTRZWHQ-HZPDHXFCSA-N	1	0	365.441	1.465	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2ccon2)C[C@H]1c1cncn1C	ZINC001131031386	940454598	/nfs/dbraw/zinc/45/45/98/940454598.db2.gz	MTLXTGRYXSERDY-IAGOWNOFSA-N	1	0	357.458	1.891	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3ccccc3O2)C[C@H]1c1cncn1C	ZINC001131025838	940458981	/nfs/dbraw/zinc/45/89/81/940458981.db2.gz	FTQDULDAUOXFNJ-MBOZVWFJSA-N	1	0	366.465	1.884	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C[C@H]1c1cncn1C	ZINC001131033060	940469989	/nfs/dbraw/zinc/46/99/89/940469989.db2.gz	FPNZAGFUSHUXRN-MTNOOBJLSA-N	1	0	356.470	1.143	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C[C@H]1c1cncn1C	ZINC001131033965	940470338	/nfs/dbraw/zinc/47/03/38/940470338.db2.gz	ZZFXABKNWGACLO-MTNOOBJLSA-N	1	0	356.470	1.143	20	30		FDEDRO
CCC1(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC#CCOC)C2)CCC1	ZINC001131048565	940476890	/nfs/dbraw/zinc/47/68/90/940476890.db2.gz	BTYNIOVUATXLDM-IAGOWNOFSA-N	1	0	358.486	1.534	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cncn2C)C1	ZINC001131051839	940480374	/nfs/dbraw/zinc/48/03/74/940480374.db2.gz	WGOWVHYOUBVDMO-QZTJIDSGSA-N	1	0	368.485	1.431	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@H]1c1cncn1C	ZINC001131054175	940481033	/nfs/dbraw/zinc/48/10/33/940481033.db2.gz	WYOOWKZEAMWBKU-DISONHOPSA-N	1	0	356.470	1.000	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1c1cncn1C	ZINC001131055538	940481439	/nfs/dbraw/zinc/48/14/39/940481439.db2.gz	AJDHYTNEIWVRFD-HUUCEWRRSA-N	1	0	365.909	1.398	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1c1cncn1C	ZINC001131067948	940483175	/nfs/dbraw/zinc/48/31/75/940483175.db2.gz	CQWRXKBBNHSYJJ-UMVBOHGHSA-N	1	0	360.437	1.835	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2ccco2)C[C@H]1c1cncn1C	ZINC001131070126	940484220	/nfs/dbraw/zinc/48/42/20/940484220.db2.gz	GTIWDXBKQBQBTP-BRWVUGGUSA-N	1	0	370.453	1.351	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCc2ccncc2)C[C@H]1c1cncn1C	ZINC001131072146	940485057	/nfs/dbraw/zinc/48/50/57/940485057.db2.gz	KVBRGJAAQWYPBB-CGTJXYLNSA-N	1	0	369.469	1.490	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cn2ccc(C)n2)C[C@H]1c1cncn1C	ZINC001131072315	940485271	/nfs/dbraw/zinc/48/52/71/940485271.db2.gz	SEEJOADCSZEMAC-IAGOWNOFSA-N	1	0	356.474	1.475	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@H]2CCOC2)C1	ZINC001131081887	940487795	/nfs/dbraw/zinc/48/77/95/940487795.db2.gz	DAXJEDYZJLOFHQ-BRWVUGGUSA-N	1	0	360.502	1.943	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CCOC)C1	ZINC001131081981	940487864	/nfs/dbraw/zinc/48/78/64/940487864.db2.gz	GWVANCVMHADWSC-IAGOWNOFSA-N	1	0	358.486	1.556	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cccc(OC)n2)C[C@H]1c1cncn1C	ZINC001131098766	940492962	/nfs/dbraw/zinc/49/29/62/940492962.db2.gz	KCEADQJPFBBKOZ-NVXWUHKLSA-N	1	0	369.469	1.988	20	30		FDEDRO
COc1ccc(CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1C#N	ZINC000747433544	940495868	/nfs/dbraw/zinc/49/58/68/940495868.db2.gz	XTJOWIZXKNUJHT-INIZCTEOSA-N	1	0	358.442	1.431	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1c1cncn1C	ZINC001131093816	940496538	/nfs/dbraw/zinc/49/65/38/940496538.db2.gz	LZEMXMMWNYKPIR-HUUCEWRRSA-N	1	0	357.462	1.482	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(OC)c2F)C[C@H]1c1cncn1C	ZINC001131093686	940496618	/nfs/dbraw/zinc/49/66/18/940496618.db2.gz	CTENQEONYCCJJL-HZPDHXFCSA-N	1	0	370.428	1.789	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccn3ccnc23)C[C@H]1c1cncn1C	ZINC001131093933	940496680	/nfs/dbraw/zinc/49/66/80/940496680.db2.gz	MOGXQUGGOCTXQY-IAGOWNOFSA-N	1	0	362.437	1.289	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCCOC)C2)nc1	ZINC001131110776	940498402	/nfs/dbraw/zinc/49/84/02/940498402.db2.gz	ZBUPIWIXABQCOM-SJLPKXTDSA-N	1	0	367.453	1.031	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ncoc2C2CC2)C[C@H]1c1cncn1C	ZINC001131101340	940500466	/nfs/dbraw/zinc/50/04/66/940500466.db2.gz	WHCLOKVKPIDAQY-HUUCEWRRSA-N	1	0	353.426	1.507	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3nc[nH]c3C2)C[C@H]1c1cncn1C	ZINC001131103621	940501153	/nfs/dbraw/zinc/50/11/53/940501153.db2.gz	SYWYKTPOQPRIKH-IIDMSEBBSA-N	1	0	368.485	1.408	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCCCC(N)=O)C[C@H]1c1cncn1C	ZINC001131105608	940501563	/nfs/dbraw/zinc/50/15/63/940501563.db2.gz	BVJGWYINOYRAKR-HZPDHXFCSA-N	1	0	361.490	1.316	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCCC(=O)NCC)C[C@H]1c1cncn1C	ZINC001131110098	940503372	/nfs/dbraw/zinc/50/33/72/940503372.db2.gz	BZCWFJNPXGNOLQ-HZPDHXFCSA-N	1	0	361.490	1.187	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COc2cccc(C)c2)C[C@H]1c1cncn1C	ZINC001131119593	940505339	/nfs/dbraw/zinc/50/53/39/940505339.db2.gz	LJFYGVDVDKVWJB-RTBURBONSA-N	1	0	366.465	1.715	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccnc2N(C)C)C[C@H]1c1cncn1C	ZINC001131121088	940506521	/nfs/dbraw/zinc/50/65/21/940506521.db2.gz	MFEBHHGXNGCSEN-IAGOWNOFSA-N	1	0	368.485	1.655	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCCn2cccn2)C[C@H]1c1cncn1C	ZINC001131123513	940507067	/nfs/dbraw/zinc/50/70/67/940507067.db2.gz	IJNBCHLAAPICTG-IAGOWNOFSA-N	1	0	354.458	1.004	20	30		FDEDRO
Cn1cncc1[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1NCC#N	ZINC001131130286	940510859	/nfs/dbraw/zinc/51/08/59/940510859.db2.gz	FJLVXFVMKQZGQQ-IAGOWNOFSA-N	1	0	358.490	1.094	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)C2CC2)C[C@H]1c1cncn1C	ZINC001131130295	940510879	/nfs/dbraw/zinc/51/08/79/940510879.db2.gz	FQWVBGDUMNMODA-CGTJXYLNSA-N	1	0	360.502	1.943	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cccnc2)C1	ZINC001131132368	940512473	/nfs/dbraw/zinc/51/24/73/940512473.db2.gz	HDYMUOGYDQVDMQ-QZTJIDSGSA-N	1	0	369.469	1.492	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3n(c2)CCCC3)C[C@H]1c1cncn1C	ZINC001131136248	940513356	/nfs/dbraw/zinc/51/33/56/940513356.db2.gz	DKDIFZPRWHKCOX-RTBURBONSA-N	1	0	365.481	1.779	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2COc3ccccc32)C[C@H]1c1cncn1C	ZINC001131136565	940513594	/nfs/dbraw/zinc/51/35/94/940513594.db2.gz	UANRCOWLOYQMHE-FGTMMUONSA-N	1	0	364.449	1.504	20	30		FDEDRO
C#CCCCNC(=O)C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1	ZINC000805300985	940516652	/nfs/dbraw/zinc/51/66/52/940516652.db2.gz	HMMBBMWQWWJSSX-UHFFFAOYSA-N	1	0	363.502	1.446	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)/C=C\c3ccccc3C#N)CC2)C1=O	ZINC000808139297	940521531	/nfs/dbraw/zinc/52/15/31/940521531.db2.gz	CLGPZYIGBFMXCX-HPFMTEOYSA-N	1	0	352.438	1.383	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H](CO)C[NH+]1CCCC1	ZINC000808220110	940529347	/nfs/dbraw/zinc/52/93/47/940529347.db2.gz	XLQKPPBHEGGHHE-MRXNPFEDSA-N	1	0	358.442	1.240	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(=O)NCC[N@@H+](CC/C=C/CC)CC1	ZINC001131383501	940559482	/nfs/dbraw/zinc/55/94/82/940559482.db2.gz	KTTQRSCVSCAOBV-VGRIIWOTSA-N	1	0	363.502	1.584	20	30		FDEDRO
CC1CCN(C(=O)C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)CC1	ZINC001086668495	940563121	/nfs/dbraw/zinc/56/31/21/940563121.db2.gz	QPVWTIUCOSYMGE-DOTOQJQBSA-N	1	0	371.485	1.633	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(=O)[nH]n2)CC1	ZINC001131413433	940563229	/nfs/dbraw/zinc/56/32/29/940563229.db2.gz	VRZMGBMXKYLQIJ-QAPCUYQASA-N	1	0	360.458	1.748	20	30		FDEDRO
CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N(CC)CCC#N)CC1	ZINC001131404115	940564458	/nfs/dbraw/zinc/56/44/58/940564458.db2.gz	ILAHEIQFOARWDR-APWZRJJASA-N	1	0	364.490	1.144	20	30		FDEDRO
COC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CSCC#N)CC1	ZINC001131429694	940567425	/nfs/dbraw/zinc/56/74/25/940567425.db2.gz	RSEVMWPPVNKYKH-LXZKKBNFSA-N	1	0	355.504	1.264	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cc1	ZINC000808765865	940593729	/nfs/dbraw/zinc/59/37/29/940593729.db2.gz	LLRGQOXRARGCSO-MAUKXSAKSA-N	1	0	363.483	1.385	20	30		FDEDRO
CC(C)(C)n1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)nn1	ZINC001086669008	940595875	/nfs/dbraw/zinc/59/58/75/940595875.db2.gz	JMXAUFKGMZYLCA-DZGCQCFKSA-N	1	0	369.473	1.921	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCC(=O)NCC)CC1	ZINC001131450986	940604193	/nfs/dbraw/zinc/60/41/93/940604193.db2.gz	BTAPFYXBFREYGH-XLIONFOSSA-N	1	0	365.518	1.855	20	30		FDEDRO
CC(C)OCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)C#N)CC1	ZINC001131451471	940605353	/nfs/dbraw/zinc/60/53/53/940605353.db2.gz	MLJYOFBSJZVFQU-NXHRZFHOSA-N	1	0	351.491	1.947	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCOC2)CC1	ZINC001131461145	940615722	/nfs/dbraw/zinc/61/57/22/940615722.db2.gz	GQUXFTILHADJQK-OTWHNJEPSA-N	1	0	364.486	1.049	20	30		FDEDRO
C#CCCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NCC)CC1	ZINC001131476109	940618920	/nfs/dbraw/zinc/61/89/20/940618920.db2.gz	RHEPVRPXEKBRAT-XLIONFOSSA-N	1	0	363.502	1.302	20	30		FDEDRO
C#CCCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](CC)C(N)=O)CC1	ZINC001131476289	940619887	/nfs/dbraw/zinc/61/98/87/940619887.db2.gz	ZJYLYMRLOSWRQL-LMMKCTJWSA-N	1	0	363.502	1.430	20	30		FDEDRO
COC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1	ZINC001131464444	940622185	/nfs/dbraw/zinc/62/21/85/940622185.db2.gz	RIYBNYTVNPPWKZ-QBIMZIAESA-N	1	0	360.458	1.521	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1	ZINC000808854948	940640647	/nfs/dbraw/zinc/64/06/47/940640647.db2.gz	OLJCYOGMLXFPNJ-UHFFFAOYSA-N	1	0	370.497	1.479	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2nnc(C)[nH]2)CC1	ZINC001131493694	940644576	/nfs/dbraw/zinc/64/45/76/940644576.db2.gz	NHKASPQDJDEMSK-APWZRJJASA-N	1	0	361.490	1.608	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2ncnn2)CC1	ZINC001131498695	940648871	/nfs/dbraw/zinc/64/88/71/940648871.db2.gz	KAHQLSVZHMPDAJ-KYJSFNMBSA-N	1	0	362.478	1.014	20	30		FDEDRO
C#CCOCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H]2CCOC2)CC1	ZINC001131498835	940649235	/nfs/dbraw/zinc/64/92/35/940649235.db2.gz	ORHOEKIHRXVCJC-POAQFYNOSA-N	1	0	364.486	1.049	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCc2ncc(C)o2)CC1	ZINC001131515649	940680822	/nfs/dbraw/zinc/68/08/22/940680822.db2.gz	WQDDGCMEMNMACS-XLIONFOSSA-N	1	0	359.470	1.925	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCc2ccnn2C)CC1	ZINC001131519330	940688469	/nfs/dbraw/zinc/68/84/69/940688469.db2.gz	KYQADACMEHMPSB-MJGOQNOKSA-N	1	0	362.474	1.108	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@]2(C)CCNC(=O)C2)CC1	ZINC001131519323	940688492	/nfs/dbraw/zinc/68/84/92/940688492.db2.gz	KTSURHGZGUXUMI-KPFFTGBYSA-N	1	0	363.502	1.465	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(OCC)n[nH]2)CC1	ZINC001131519494	940688770	/nfs/dbraw/zinc/68/87/70/940688770.db2.gz	OQRLHSJULMEIKQ-QAPCUYQASA-N	1	0	360.458	1.431	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2ccc(=O)[nH]c2)CC1	ZINC001131533859	940705111	/nfs/dbraw/zinc/70/51/11/940705111.db2.gz	XOAZXMJLBBUUGP-XLIONFOSSA-N	1	0	357.454	1.339	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCC2(F)F)CC1	ZINC001131522649	940705873	/nfs/dbraw/zinc/70/58/73/940705873.db2.gz	RKTFABLWCUPHEE-BBWFWOEESA-N	1	0	370.440	1.667	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c[nH]nc2CCC)CC1	ZINC001131526316	940711023	/nfs/dbraw/zinc/71/10/23/940711023.db2.gz	LTXGVCQFIHEBPM-MOPGFXCFSA-N	1	0	358.486	1.985	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn3cccnc23)CC1	ZINC001131543718	940719574	/nfs/dbraw/zinc/71/95/74/940719574.db2.gz	QCIIQLVXOXIGFE-MSOLQXFVSA-N	1	0	367.453	1.352	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCF)CC1	ZINC001131545800	940721210	/nfs/dbraw/zinc/72/12/10/940721210.db2.gz	FACCNTAUXLLNSG-KYJSFNMBSA-N	1	0	369.481	1.413	20	30		FDEDRO
C=CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NC(C)C)CC1	ZINC001131555853	940731114	/nfs/dbraw/zinc/73/11/14/940731114.db2.gz	ZXLYRUVPXPAEEN-XLIONFOSSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCn2cncn2)CC1	ZINC001131558177	940732825	/nfs/dbraw/zinc/73/28/25/940732825.db2.gz	LJJLAKQYKXPQQX-MJGOQNOKSA-N	1	0	361.490	1.620	20	30		FDEDRO
C=CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2nnc(C)[nH]2)CC1	ZINC001131558379	940732837	/nfs/dbraw/zinc/73/28/37/940732837.db2.gz	YCKJMFRBQSHJJI-APWZRJJASA-N	1	0	361.490	1.955	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](COC)OC)CC1	ZINC001131558400	940733202	/nfs/dbraw/zinc/73/32/02/940733202.db2.gz	ZBMGWBWAJSWACY-PMPSAXMXSA-N	1	0	360.882	1.386	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCNC(=O)C2)C1	ZINC001086671009	940733413	/nfs/dbraw/zinc/73/34/13/940733413.db2.gz	HQLMQVWEPPAADR-HDMKZQKVSA-N	1	0	354.454	1.459	20	30		FDEDRO
C=CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCO)CC1	ZINC001131558390	940733491	/nfs/dbraw/zinc/73/34/91/940733491.db2.gz	YKIQPWDIUIIZPJ-MJGOQNOKSA-N	1	0	354.491	1.337	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NCC)CC1	ZINC001131549937	940738730	/nfs/dbraw/zinc/73/87/30/940738730.db2.gz	HDNQCHWJGWSJAS-WDYCEAGBSA-N	1	0	365.518	1.711	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(C)nn2CC)CC1	ZINC001131570907	940746544	/nfs/dbraw/zinc/74/65/44/940746544.db2.gz	UAKGLAAUZZOBIK-MJGOQNOKSA-N	1	0	358.486	1.834	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(C)[nH]c2=O)CC1	ZINC001131572078	940748327	/nfs/dbraw/zinc/74/83/27/940748327.db2.gz	BRFNMNOCNSZPME-MSOLQXFVSA-N	1	0	357.454	1.718	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnc(OC)nc2)CC1	ZINC001131587929	940756579	/nfs/dbraw/zinc/75/65/79/940756579.db2.gz	HFJVWQLKNQFMSI-SJORKVTESA-N	1	0	360.458	1.661	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccc(OC)n2)CC1	ZINC001131588120	940757010	/nfs/dbraw/zinc/75/70/10/940757010.db2.gz	RXBHZDYLMFOGIM-APWZRJJASA-N	1	0	357.454	1.713	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCOCCCOC)CC1	ZINC001131590594	940760303	/nfs/dbraw/zinc/76/03/03/940760303.db2.gz	KQEVZACDPGAFGH-MJGOQNOKSA-N	1	0	354.491	1.601	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCn2cncn2)CC1	ZINC001131590914	940761137	/nfs/dbraw/zinc/76/11/37/940761137.db2.gz	ZBAAIWDCFAGKFB-MJGOQNOKSA-N	1	0	359.474	1.067	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn(CC3CC3)nn2)CC1	ZINC001131585284	940771201	/nfs/dbraw/zinc/77/12/01/940771201.db2.gz	QZCKSBCCHJJULY-MJGOQNOKSA-N	1	0	371.485	1.311	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCOCC)CC2)cn1	ZINC001131597365	940781338	/nfs/dbraw/zinc/78/13/38/940781338.db2.gz	ZWWXYICIRDRUOI-UXHICEINSA-N	1	0	371.481	1.699	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCc2ccccc2)CC1	ZINC001131602427	940785682	/nfs/dbraw/zinc/78/56/82/940785682.db2.gz	WWEFKKYTJFJXDV-CTNGQTDRSA-N	1	0	356.466	1.822	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOC(C)C)CC1	ZINC001131612041	940791659	/nfs/dbraw/zinc/79/16/59/940791659.db2.gz	BEIHFGQSUSOKHD-QRQLOZEOSA-N	1	0	368.518	1.988	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1)[C@H]1CCCO1	ZINC000809313518	940817632	/nfs/dbraw/zinc/81/76/32/940817632.db2.gz	SWOZUUAEJNREPG-RBUKOAKNSA-N	1	0	371.481	1.394	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1C#N	ZINC000809504425	940845810	/nfs/dbraw/zinc/84/58/10/940845810.db2.gz	LKCRVAOHMDWPHZ-CJNGLKHVSA-N	1	0	358.442	1.124	20	30		FDEDRO
CON=CC(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1	ZINC000809693357	940878846	/nfs/dbraw/zinc/87/88/46/940878846.db2.gz	UJWIJSFZQGSKKR-UHFFFAOYSA-N	1	0	358.364	1.706	20	30		FDEDRO
N#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCCC3)C2)[nH]1	ZINC001086675855	940917320	/nfs/dbraw/zinc/91/73/20/940917320.db2.gz	ZIHRJMRIEUSGIG-LSDHHAIUSA-N	1	0	357.458	1.387	20	30		FDEDRO
CC(C)c1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)[nH]1	ZINC001086675906	940923652	/nfs/dbraw/zinc/92/36/52/940923652.db2.gz	CJNZHQQXLSLTQI-QWHCGFSZSA-N	1	0	355.446	1.816	20	30		FDEDRO
CCn1c(C)nnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1	ZINC001086675893	940923790	/nfs/dbraw/zinc/92/37/90/940923790.db2.gz	BQSJDPPLGRSLDT-UONOGXRCSA-N	1	0	355.446	1.495	20	30		FDEDRO
N#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C(N)=O)cc3)C2)[nH]1	ZINC001086676126	940924537	/nfs/dbraw/zinc/92/45/37/940924537.db2.gz	XJKOFHRIRMKGAM-GOEBONIOSA-N	1	0	365.437	1.674	20	30		FDEDRO
N#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@H]3CCc4ncnn43)C2)[nH]1	ZINC001086676257	940933127	/nfs/dbraw/zinc/93/31/27/940933127.db2.gz	KRSVIZVEZGWAOH-GZBFAFLISA-N	1	0	353.430	1.153	20	30		FDEDRO
CCCn1c(C)nnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1	ZINC001086676617	940949105	/nfs/dbraw/zinc/94/91/05/940949105.db2.gz	LWYHRSPWPLQFFM-GOEBONIOSA-N	1	0	369.473	1.885	20	30		FDEDRO
CC(C)([NH3+])CN(c1cc2nc[nH]c2c(C#N)n1)S(=O)(=O)c1ccccc1	ZINC001170596360	940951570	/nfs/dbraw/zinc/95/15/70/940951570.db2.gz	XTQLGSFNJSPFJF-UHFFFAOYSA-N	1	0	370.438	1.762	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1	ZINC000810068409	940951622	/nfs/dbraw/zinc/95/16/22/940951622.db2.gz	OLDZBCVKDGPJBS-OLZOCXBDSA-N	1	0	362.396	1.385	20	30		FDEDRO
CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000810464004	940992479	/nfs/dbraw/zinc/99/24/79/940992479.db2.gz	NJCVBDVVHBRHME-GFCCVEGCSA-N	1	0	350.394	1.511	20	30		FDEDRO
COc1ccc(C#N)c(N(CC(C)(C)[NH3+])S(=O)(=O)c2ccccc2)n1	ZINC001170609513	941006738	/nfs/dbraw/zinc/00/67/38/941006738.db2.gz	IVTUMMFKWGYBHT-UHFFFAOYSA-N	1	0	360.439	1.894	20	30		FDEDRO
CON=Cc1ccc(C(=O)O[C@@H]2CCCN(c3cc[nH+]c(N)n3)C2)cc1	ZINC000810767418	941055113	/nfs/dbraw/zinc/05/51/13/941055113.db2.gz	VUQQOUCOIICWHS-OAHLLOKOSA-N	1	0	355.398	1.865	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3nccn3CC)C2)C1=O	ZINC001086685492	941070494	/nfs/dbraw/zinc/07/04/94/941070494.db2.gz	JZVRBVZKFCMJSM-XHSDSOJGSA-N	1	0	359.474	1.178	20	30		FDEDRO
Cn1cnc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)n1	ZINC001086688225	941079555	/nfs/dbraw/zinc/07/95/55/941079555.db2.gz	FYPNPCVNLFYMKC-DZGCQCFKSA-N	1	0	356.405	1.514	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)OCc2cc(=O)n3ncc(C#N)c3[nH]2)C1	ZINC000811447767	941133169	/nfs/dbraw/zinc/13/31/69/941133169.db2.gz	OMYZYJIMYHXMOH-QGZVFWFLSA-N	1	0	361.377	1.562	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)OCC[C@H]2CCCC[N@H+]2C)cc1	ZINC000811831752	941167132	/nfs/dbraw/zinc/16/71/32/941167132.db2.gz	FGQMZEIYZBIBEP-MRXNPFEDSA-N	1	0	364.467	1.629	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)CC1	ZINC000812275081	941190151	/nfs/dbraw/zinc/19/01/51/941190151.db2.gz	FEWGIDWKNZJBID-CYBMUJFWSA-N	1	0	359.392	1.249	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H](CNC(=O)OC(C)(C)C)C1CC1	ZINC000812833281	941280981	/nfs/dbraw/zinc/28/09/81/941280981.db2.gz	GKZPYRGFMSKOER-CYBMUJFWSA-N	1	0	354.451	1.233	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(N2CCCNC2=O)cc1	ZINC000812899683	941294292	/nfs/dbraw/zinc/29/42/92/941294292.db2.gz	UCPVSZMQPCYPQO-CYBMUJFWSA-N	1	0	359.430	1.269	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccc(C)c(Cl)c1	ZINC001134054917	941531404	/nfs/dbraw/zinc/53/14/04/941531404.db2.gz	VBIGVVMVJQGKEX-ZBFHGGJFSA-N	1	0	365.861	1.884	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CC(=O)N(C2CCC(C)CC2)C1)C1CC[NH+](C)CC1	ZINC001134043394	941533400	/nfs/dbraw/zinc/53/34/00/941533400.db2.gz	HHDZWLWLGSOLLG-LXPRWKDFSA-N	1	0	359.514	1.970	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]Cc1ccc2c(c1)CCC(=O)N2C	ZINC001134052861	941539521	/nfs/dbraw/zinc/53/95/21/941539521.db2.gz	DXPQYGYZVBCSOI-AEFFLSMTSA-N	1	0	357.454	1.393	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)COc1ccccc1Cl	ZINC001134062001	941540797	/nfs/dbraw/zinc/54/07/97/941540797.db2.gz	NKSAIYXSKDVTPG-LZWOXQAQSA-N	1	0	368.861	1.377	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)Nc1ccccc1CC	ZINC001134062357	941541276	/nfs/dbraw/zinc/54/12/76/941541276.db2.gz	XXCKNKFGRURDOZ-KYJSFNMBSA-N	1	0	359.470	1.873	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)c2ccc(C#N)o2)CC1	ZINC000814104992	941550012	/nfs/dbraw/zinc/55/00/12/941550012.db2.gz	LSNGZHSAUCXWAP-UHFFFAOYSA-N	1	0	360.458	1.852	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1	ZINC001134129936	941567685	/nfs/dbraw/zinc/56/76/85/941567685.db2.gz	ZWYFRBNYDHPRKA-BHYGNILZSA-N	1	0	361.490	1.043	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@H]1CC[C@@H]([NH2+][C@H](C)c2nnnn2C)C1	ZINC001086718238	941582375	/nfs/dbraw/zinc/58/23/75/941582375.db2.gz	ODCWSKOKKXHBSU-QLFBSQMISA-N	1	0	357.462	1.447	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccn(C(C)C)n2)C1	ZINC001086721372	941646685	/nfs/dbraw/zinc/64/66/85/941646685.db2.gz	VWZODMGPXZMWHD-NSHGMRRFSA-N	1	0	371.529	1.936	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1	ZINC000814655353	941694019	/nfs/dbraw/zinc/69/40/19/941694019.db2.gz	OIUAWPWICSEFEX-ZDUSSCGKSA-N	1	0	360.414	1.696	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1	ZINC000747979445	941725406	/nfs/dbraw/zinc/72/54/06/941725406.db2.gz	HIZHCLHLBNMGET-GOSISDBHSA-N	1	0	356.470	1.460	20	30		FDEDRO
C#CCNC(=O)CC[N@@H+](C)C[C@H](O)COc1ccc(C(F)(F)F)cc1	ZINC000815047121	941760339	/nfs/dbraw/zinc/76/03/39/941760339.db2.gz	FCLZTNHQGACIQP-AWEZNQCLSA-N	1	0	358.360	1.516	20	30		FDEDRO
C#CCNC(=O)CC[N@H+](Cc1ccccc1)C[C@@H](O)c1cnn(CC)c1	ZINC000815100304	941783745	/nfs/dbraw/zinc/78/37/45/941783745.db2.gz	DPWBVOFJNYKGPH-LJQANCHMSA-N	1	0	354.454	1.578	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)c1cccc(OC)c1	ZINC001135067808	941883326	/nfs/dbraw/zinc/88/33/26/941883326.db2.gz	NIFBQFYUJXTNIN-OTWHNJEPSA-N	1	0	362.470	1.806	20	30		FDEDRO
N#Cc1ccc(C(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)o1	ZINC000815547255	941909893	/nfs/dbraw/zinc/90/98/93/941909893.db2.gz	LIWJXBYXUWXILN-UHFFFAOYSA-N	1	0	366.421	1.907	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)COc1ccc(F)cc1	ZINC001135142293	941927895	/nfs/dbraw/zinc/92/78/95/941927895.db2.gz	NUYNVPLFIINCCU-NJAFHUGGSA-N	1	0	366.433	1.252	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)N(C)C1CCCCC1	ZINC001135145468	941929171	/nfs/dbraw/zinc/92/91/71/941929171.db2.gz	JKPSZTNLTLCYDQ-NJAFHUGGSA-N	1	0	365.518	1.853	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(C)CC(C)(C)C#N)cc2)CC1	ZINC000815801558	941971899	/nfs/dbraw/zinc/97/18/99/941971899.db2.gz	ZDPJDFKHYBFARO-UHFFFAOYSA-N	1	0	371.485	1.775	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cnn(CC(C)C)c1C1CC1	ZINC000815861532	941996856	/nfs/dbraw/zinc/99/68/56/941996856.db2.gz	NIQMMXAHFCNUHM-UHFFFAOYSA-N	1	0	359.474	1.426	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)cc2cccnc21	ZINC000815861389	941997048	/nfs/dbraw/zinc/99/70/48/941997048.db2.gz	GIYJPECCDZYCLY-UHFFFAOYSA-N	1	0	358.829	1.898	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccn([C@H](C)c2ccccc2)n1	ZINC000815860870	941997413	/nfs/dbraw/zinc/99/74/13/941997413.db2.gz	DZVHTMGLEIKXCE-MRXNPFEDSA-N	1	0	367.453	1.502	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cn1	ZINC001135333216	942043791	/nfs/dbraw/zinc/04/37/91/942043791.db2.gz	UBHBUDOPXRZXOJ-UHFFFAOYSA-N	1	0	363.465	1.973	20	30		FDEDRO
Cn1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)cc1=O	ZINC001086735728	942102447	/nfs/dbraw/zinc/10/24/47/942102447.db2.gz	LNKMCPPPJIBNOT-HNAYVOBHSA-N	1	0	364.449	1.945	20	30		FDEDRO
N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21	ZINC001135479722	942130438	/nfs/dbraw/zinc/13/04/38/942130438.db2.gz	GPYWNLUJUFEZPS-ZWKOTPCHSA-N	1	0	350.422	1.289	20	30		FDEDRO
CNC(=O)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(F)c(C#N)c1	ZINC001110469489	970876895	/nfs/dbraw/zinc/87/68/95/970876895.db2.gz	DPLAHJCZGBQUFF-NXHRZFHOSA-N	1	0	372.444	1.835	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn3c(n1)C[C@@H](OC)CC3)C2	ZINC001110705856	970879705	/nfs/dbraw/zinc/87/97/05/970879705.db2.gz	KZAMOIBXRZCWHD-HPFXQQBRSA-N	1	0	374.485	1.382	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccnnc3C)C2)C1=O	ZINC001086746903	942236649	/nfs/dbraw/zinc/23/66/49/942236649.db2.gz	XLEVZJQZTAHMNW-ZMSDIMECSA-N	1	0	357.458	1.060	20	30		FDEDRO
C[NH+]1CCC(ONC(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1	ZINC000816533593	942246375	/nfs/dbraw/zinc/24/63/75/942246375.db2.gz	COPMNDOQGOJQHI-UHFFFAOYSA-N	1	0	358.442	1.855	20	30		FDEDRO
C#CC[C@]1(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)CCCN1C(=O)OC(C)(C)C	ZINC000816950109	942397414	/nfs/dbraw/zinc/39/74/14/942397414.db2.gz	LXLMAOLEPWLPCE-RZQQEMMASA-N	1	0	361.486	1.942	20	30		FDEDRO
C=C1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)CC1	ZINC001086794894	942536535	/nfs/dbraw/zinc/53/65/35/942536535.db2.gz	QANYJUDQNRVLMD-GOEBONIOSA-N	1	0	362.474	1.159	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(Cl)[nH]3)C2)C1=O	ZINC001086796624	942542332	/nfs/dbraw/zinc/54/23/32/942542332.db2.gz	YNGQYXFMXLUJDX-GUTXKFCHSA-N	1	0	364.877	1.943	20	30		FDEDRO
N#CCOc1ccccc1C(=O)NCC(=O)NCC[NH+]1CCCCCC1	ZINC000817165025	942599555	/nfs/dbraw/zinc/59/95/55/942599555.db2.gz	VUQAVSDVYWNFLZ-UHFFFAOYSA-N	1	0	358.442	1.311	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H]3CCN(C(C)C)C3=O)C2)c1	ZINC001086798941	942624935	/nfs/dbraw/zinc/62/49/35/942624935.db2.gz	PUCAAOHREIJIDR-UHOSZYNNSA-N	1	0	368.481	1.560	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H]3CCN(C(C)C)C3=O)C2)c1	ZINC001086798940	942625081	/nfs/dbraw/zinc/62/50/81/942625081.db2.gz	PUCAAOHREIJIDR-QXAKKESOSA-N	1	0	368.481	1.560	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C(N)=O)co2)C1	ZINC001086800599	942680632	/nfs/dbraw/zinc/68/06/32/942680632.db2.gz	UTNJXSRMUHDLKG-CMPLNLGQSA-N	1	0	370.247	1.775	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccncc1	ZINC001170862471	942704068	/nfs/dbraw/zinc/70/40/68/942704068.db2.gz	MNXOSXQEVKOJFB-RYQLBKOJSA-N	1	0	356.470	1.199	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1	ZINC000817809355	942961832	/nfs/dbraw/zinc/96/18/32/942961832.db2.gz	YJEMTIGXJPFVDH-MRXNPFEDSA-N	1	0	355.482	1.911	20	30		FDEDRO
CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]Cc1ccc(OC)c(O[C@H](C#N)CC)c1	ZINC000817919687	943077435	/nfs/dbraw/zinc/07/74/35/943077435.db2.gz	UDIVLNONVNIQAI-RLFYNMQTSA-N	1	0	361.442	1.759	20	30		FDEDRO
[NH3+][C@H](CCC(=O)NCCNC(=O)C1N=CC=CC1=O)CC1CCCCC1	ZINC000818115981	943163923	/nfs/dbraw/zinc/16/39/23/943163923.db2.gz	DXAQCALFUVWSEO-RAJOGRCSSA-N	1	0	362.474	1.707	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1ccc(F)c(S(=O)(=O)NC(C)C)c1	ZINC000818606372	943329960	/nfs/dbraw/zinc/32/99/60/943329960.db2.gz	PNYHKPVUAZBDGR-UHFFFAOYSA-N	1	0	369.462	1.197	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O	ZINC001195483896	970984382	/nfs/dbraw/zinc/98/43/82/970984382.db2.gz	MWSKGRGHUKBKOY-RTBURBONSA-N	1	0	356.466	1.519	20	30		FDEDRO
CN1CCCc2cc(C[NH2+]CCS(=O)(=O)c3ccc(C#N)cn3)ccc21	ZINC000818984910	943370900	/nfs/dbraw/zinc/37/09/00/943370900.db2.gz	JFLWMIRWQJMOEX-UHFFFAOYSA-N	1	0	370.478	1.899	20	30		FDEDRO
C[C@]1(c2ccc(C[NH2+]C[C@H](O)c3ccc(C#N)cc3)cc2)NC(=O)NC1=O	ZINC000818997575	943377746	/nfs/dbraw/zinc/37/77/46/943377746.db2.gz	GEXWMSPSWLBZNV-FXAWDEMLSA-N	1	0	364.405	1.436	20	30		FDEDRO
Cn1ccnc1[C@](O)(CC[NH2+]C[C@@H](O)c1ccc(C#N)cc1)C(F)(F)F	ZINC000818969963	943387312	/nfs/dbraw/zinc/38/73/12/943387312.db2.gz	JZCRNBAQHCGIKD-GDBMZVCRSA-N	1	0	368.359	1.755	20	30		FDEDRO
O=C(NCC[NH2+]C[C@H](O)COc1cccc2[nH]ccc21)C1N=CC=CC1=O	ZINC000819049480	943394782	/nfs/dbraw/zinc/39/47/82/943394782.db2.gz	KZIXBXMMIZKADR-HVCBDAARSA-N	1	0	370.409	1.024	20	30		FDEDRO
O=C(NCC[NH2+]C[C@@H](O)c1ccc(F)cc1Cl)C1N=CC=CC1=O	ZINC000819050604	943395373	/nfs/dbraw/zinc/39/53/73/943395373.db2.gz	UEPPQYULUKZRRT-PQDJCJPTSA-N	1	0	353.781	1.629	20	30		FDEDRO
CS(=O)(=O)c1ccc(OCC[NH2+]C[C@H](O)c2ccc(C#N)cc2)cc1	ZINC000819026257	943406908	/nfs/dbraw/zinc/40/69/08/943406908.db2.gz	DSRLPDVMHSTKEL-SFHVURJKSA-N	1	0	360.435	1.664	20	30		FDEDRO
COc1ccccc1N1CC[C@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)C1=O	ZINC000819152358	943442928	/nfs/dbraw/zinc/44/29/28/943442928.db2.gz	RPOZZMKVCVGSTC-WMZOPIPTSA-N	1	0	351.406	1.995	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@@H](O)c2ccc(C#N)cc2)s1	ZINC000819179561	943463906	/nfs/dbraw/zinc/46/39/06/943463906.db2.gz	DNRNLVYQKPKFJV-OAHLLOKOSA-N	1	0	365.480	1.530	20	30		FDEDRO
N#Cc1ncn(CC[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)n1	ZINC000819306547	943511513	/nfs/dbraw/zinc/51/15/13/943511513.db2.gz	VBYSPXGTEJCZJE-GFCCVEGCSA-N	1	0	354.183	1.375	20	30		FDEDRO
C[C@](O)(C[NH2+]CCn1cnc(C#N)n1)c1ccc(Br)cc1F	ZINC000819306344	943511673	/nfs/dbraw/zinc/51/16/73/943511673.db2.gz	RMXXNGBEZFYGRU-AWEZNQCLSA-N	1	0	368.210	1.549	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCC[N@H+]1CC=CCC1	ZINC000819519975	943626633	/nfs/dbraw/zinc/62/66/33/943626633.db2.gz	RZOJTQAOXFUBGT-OAHLLOKOSA-N	1	0	350.463	1.952	20	30		FDEDRO
OCC[NH+]1CCC(N=Nc2ncnc3c2cnn3-c2ccccc2)CC1	ZINC000819806466	943747782	/nfs/dbraw/zinc/74/77/82/943747782.db2.gz	RSBXURALTQKYTN-UHFFFAOYSA-N	1	0	351.414	1.672	20	30		FDEDRO
COc1ccc(NC(=S)NN=C2CC[NH+](CCO)CC2)cc1OC	ZINC000819806137	943748841	/nfs/dbraw/zinc/74/88/41/943748841.db2.gz	KNSJBCSMEQVYRT-UHFFFAOYSA-N	1	0	352.460	1.434	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N[C@@H]1CCN(O)C1=O	ZINC000820157355	943919104	/nfs/dbraw/zinc/91/91/04/943919104.db2.gz	WHZNTVZKFMVBRN-GDBMZVCRSA-N	1	0	361.442	1.660	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2[C@H]2CCCO2)C1	ZINC001195573547	971043942	/nfs/dbraw/zinc/04/39/42/971043942.db2.gz	QBLMMYQPPCWRQZ-BRWVUGGUSA-N	1	0	362.474	1.783	20	30		FDEDRO
C[C@H](C(=O)N[C@@H]1CCCN(O)C1=O)[NH+]1CCC(Cc2ccccc2)CC1	ZINC000820482187	944066362	/nfs/dbraw/zinc/06/63/62/944066362.db2.gz	FPYMOQQFEFZPRP-CRAIPNDOSA-N	1	0	359.470	1.826	20	30		FDEDRO
C#CCCOc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)cc1	ZINC000820632509	944129835	/nfs/dbraw/zinc/12/98/35/944129835.db2.gz	NUCAQSACNMUBEE-LJQANCHMSA-N	1	0	369.465	1.514	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O	ZINC001195568335	971078976	/nfs/dbraw/zinc/07/89/76/971078976.db2.gz	XYEJULGPEAUOCE-ATZDWAIDSA-N	1	0	358.482	1.928	20	30		FDEDRO
C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCCC[NH+](C)C	ZINC000821698153	944609087	/nfs/dbraw/zinc/60/90/87/944609087.db2.gz	SJDBSDMNHQCBQS-HXUWFJFHSA-N	1	0	371.437	1.646	20	30		FDEDRO
CN1C(=O)CS/C1=C/C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000821755762	944631309	/nfs/dbraw/zinc/63/13/09/944631309.db2.gz	GJRVXPQHBAIQRJ-WOJGMQOQSA-N	1	0	370.478	1.708	20	30		FDEDRO
CON=C(C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1csc(N)n1	ZINC000821812533	944709338	/nfs/dbraw/zinc/70/93/38/944709338.db2.gz	XZMKBORVUNRKDE-NWDGAFQWSA-N	1	0	365.503	1.845	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCS(=O)(=O)C1	ZINC000822525127	945027022	/nfs/dbraw/zinc/02/70/22/945027022.db2.gz	KQIPTIURIHOCHG-RDJZCZTQSA-N	1	0	367.515	1.225	20	30		FDEDRO
C#CCN(CC(=O)OC(C)(C)C)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1	ZINC000823131291	945512698	/nfs/dbraw/zinc/51/26/98/945512698.db2.gz	QINVQIMOYRTPCV-INIZCTEOSA-N	1	0	365.474	1.226	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N[C@@H]1CN(c2cc(C#N)nc(CC)n2)C[C@H]1C	ZINC001090748849	946189432	/nfs/dbraw/zinc/18/94/32/946189432.db2.gz	BNJPSPYPUYSGOQ-GDBMZVCRSA-N	1	0	358.490	1.583	20	30		FDEDRO
N#CCSCCC[NH+]1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1	ZINC000822815306	946194927	/nfs/dbraw/zinc/19/49/27/946194927.db2.gz	ORAYAKWVYTWUSQ-UHFFFAOYSA-N	1	0	361.450	1.775	20	30		FDEDRO
C#CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C(C)(C)[C@H]21	ZINC001573281613	946676976	/nfs/dbraw/zinc/67/69/76/946676976.db2.gz	ACZFRROETDEIFT-BMFZPTHFSA-N	1	0	367.457	1.437	20	30		FDEDRO
C#CCN(C(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CC[NH+](CCCF)CC1	ZINC001573281620	946677709	/nfs/dbraw/zinc/67/77/09/946677709.db2.gz	ALKVQTOTQNTQSP-UHFFFAOYSA-N	1	0	359.409	1.094	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1	ZINC001573283837	946728216	/nfs/dbraw/zinc/72/82/16/946728216.db2.gz	WCTYPKIWJVIRHV-ZIAGYGMSSA-N	1	0	353.430	1.002	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573284568	946750430	/nfs/dbraw/zinc/75/04/30/946750430.db2.gz	GKLOQFJLIUUUAN-RHSMWYFYSA-N	1	0	352.442	1.607	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H](C)CC[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573285783	946787434	/nfs/dbraw/zinc/78/74/34/946787434.db2.gz	NIZOHVXVRGDYEJ-QWHCGFSZSA-N	1	0	374.420	1.029	20	30		FDEDRO
CC[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)C3(C#N)CCOCC3)C2)ccn1	ZINC000856634251	971275873	/nfs/dbraw/zinc/27/58/73/971275873.db2.gz	DKDCMECGQSOCEK-SFHVURJKSA-N	1	0	372.469	1.833	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2[C@H]3C[C@H]3CN2C(=O)OC(C)(C)C)CC1	ZINC001136962449	946854838	/nfs/dbraw/zinc/85/48/38/946854838.db2.gz	MEMGOPKWWXCATM-BHYGNILZSA-N	1	0	361.486	1.846	20	30		FDEDRO
N#CC1(C(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CCSCC1	ZINC000824941430	946888094	/nfs/dbraw/zinc/88/80/94/946888094.db2.gz	NSGNJHBPFUQKRO-QGZVFWFLSA-N	1	0	359.495	1.906	20	30		FDEDRO
CCc1noc(C[C@]2(O)CCC[N@H+](CCOc3ccc(C#N)cc3)C2)n1	ZINC000856669564	971294199	/nfs/dbraw/zinc/29/41/99/971294199.db2.gz	AHDAVJKJRPWQFD-LJQANCHMSA-N	1	0	356.426	1.952	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)c1	ZINC001573291797	946922730	/nfs/dbraw/zinc/92/27/30/946922730.db2.gz	IWLTYVUAJUYABL-GOSISDBHSA-N	1	0	373.420	1.247	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CC1	ZINC001573560306	946950026	/nfs/dbraw/zinc/95/00/26/946950026.db2.gz	AYUZJYZAQOEICV-ZBEGNZNMSA-N	1	0	371.420	1.492	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]21	ZINC001573294051	946974842	/nfs/dbraw/zinc/97/48/42/946974842.db2.gz	SHKDUMIGKRSZTC-AEGPPILISA-N	1	0	355.446	1.601	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573564118	946989565	/nfs/dbraw/zinc/98/95/65/946989565.db2.gz	GCNPYASYSAORAQ-WQVCFCJDSA-N	1	0	351.414	1.202	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC(C)([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1	ZINC001573565177	947001003	/nfs/dbraw/zinc/00/10/03/947001003.db2.gz	NWWCCPZSUSIHPT-LBPRGKRZSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@](C)(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573565453	947007194	/nfs/dbraw/zinc/00/71/94/947007194.db2.gz	QYXVHRKCVVSXET-UGSOOPFHSA-N	1	0	353.430	1.355	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@](C)(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573565451	947007314	/nfs/dbraw/zinc/00/73/14/947007314.db2.gz	QYXVHRKCVVSXET-FZKQIMNGSA-N	1	0	353.430	1.355	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573565960	947017928	/nfs/dbraw/zinc/01/79/28/947017928.db2.gz	XPWAPQCYANJEOY-ACJLOTCBSA-N	1	0	353.430	1.355	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC(C)([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1	ZINC001573566068	947022830	/nfs/dbraw/zinc/02/28/30/947022830.db2.gz	ZWTMNJSKUNQTSE-GFCCVEGCSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)C1	ZINC001573566488	947027138	/nfs/dbraw/zinc/02/71/38/947027138.db2.gz	CKLZDGYNULRLNE-NWDGAFQWSA-N	1	0	359.459	1.511	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)C1	ZINC001573566491	947027281	/nfs/dbraw/zinc/02/72/81/947027281.db2.gz	CKLZDGYNULRLNE-VXGBXAGGSA-N	1	0	359.459	1.511	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1	ZINC001573567203	947038869	/nfs/dbraw/zinc/03/88/69/947038869.db2.gz	KAOYJDSQMVWIAB-LIRRHRJNSA-N	1	0	365.441	1.451	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1	ZINC001573567749	947053886	/nfs/dbraw/zinc/05/38/86/947053886.db2.gz	RYAPZPXHNBZMQW-VXGBXAGGSA-N	1	0	359.459	1.511	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F	ZINC001573567946	947060826	/nfs/dbraw/zinc/06/08/26/947060826.db2.gz	VEYBQFNFQAODRE-SWLSCSKDSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1	ZINC001573568239	947070046	/nfs/dbraw/zinc/07/00/46/947070046.db2.gz	ZTWFUQYJXUISMP-VXGBXAGGSA-N	1	0	359.459	1.416	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC[C@@H]1C	ZINC001573298736	947079533	/nfs/dbraw/zinc/07/95/33/947079533.db2.gz	RSNLQRZQVIIROL-JQWIXIFHSA-N	1	0	363.853	1.635	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@](C)(C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CC1	ZINC001573570887	947097797	/nfs/dbraw/zinc/09/77/97/947097797.db2.gz	WHFUJZBNLXBKNV-VOJFVSQTSA-N	1	0	371.420	1.540	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1	ZINC001573300579	947115941	/nfs/dbraw/zinc/11/59/41/947115941.db2.gz	ZNXJKEWWORCUCF-LBPRGKRZSA-N	1	0	363.853	1.779	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CC1(C)C	ZINC001573574010	947126910	/nfs/dbraw/zinc/12/69/10/947126910.db2.gz	QGLPVOHAOHZOEG-RISCZKNCSA-N	1	0	373.486	1.805	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573583331	947202175	/nfs/dbraw/zinc/20/21/75/947202175.db2.gz	KYXBDWPRPHDUJT-STQMWFEESA-N	1	0	371.420	1.494	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573309709	947207762	/nfs/dbraw/zinc/20/77/62/947207762.db2.gz	NFOWKYQAJWXCEV-SCLBCKFNSA-N	1	0	358.446	1.130	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC001573583779	947208087	/nfs/dbraw/zinc/20/80/87/947208087.db2.gz	OQBIAFMGKYAOSU-AWEZNQCLSA-N	1	0	367.457	1.745	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573585077	947242967	/nfs/dbraw/zinc/24/29/67/947242967.db2.gz	KDCREHYXFWSMJX-RAIGVLPGSA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573585085	947244708	/nfs/dbraw/zinc/24/47/08/947244708.db2.gz	KDCREHYXFWSMJX-WCFLWFBJSA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1	ZINC001573585335	947255025	/nfs/dbraw/zinc/25/50/25/947255025.db2.gz	OUHLAASRIUOOGW-CYZMBNFOSA-N	1	0	359.459	1.605	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573585725	947264367	/nfs/dbraw/zinc/26/43/67/947264367.db2.gz	VPVFYNYEAWUBCR-SLEUVZQESA-N	1	0	371.420	1.540	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1	ZINC001573585671	947264823	/nfs/dbraw/zinc/26/48/23/947264823.db2.gz	HTZKKCUYWIWMKB-RCBQFDQVSA-N	1	0	353.430	1.543	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2COC(=O)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090868467	947377838	/nfs/dbraw/zinc/37/78/38/947377838.db2.gz	HXMWEOXZSSQBDR-JCGIZDLHSA-N	1	0	358.438	1.718	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1(C)C	ZINC001573328152	947402889	/nfs/dbraw/zinc/40/28/89/947402889.db2.gz	RLXYKRDFYIFMIN-OAHLLOKOSA-N	1	0	355.446	1.867	20	30		FDEDRO
C=CCCC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@H](C)C1	ZINC001573329023	947416625	/nfs/dbraw/zinc/41/66/25/947416625.db2.gz	GNIJWMXCCYUTBK-DOMZBBRYSA-N	1	0	355.446	1.607	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(OCC)n[nH]2)C[C@H]1c1ccc(OC)cc1	ZINC001090874760	947482709	/nfs/dbraw/zinc/48/27/09/947482709.db2.gz	PTSABEZBJNSEOC-FUHWJXTLSA-N	1	0	368.437	1.648	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573335700	947486958	/nfs/dbraw/zinc/48/69/58/947486958.db2.gz	SVOXYRPNFCNACX-CZUORRHYSA-N	1	0	357.462	1.991	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc(C)n2C)C[C@H]1c1ccc(OC)cc1	ZINC001090878268	947548460	/nfs/dbraw/zinc/54/84/60/947548460.db2.gz	OHZRGHPHRFTMNJ-ZWKOTPCHSA-N	1	0	352.438	1.568	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)[C@@H]1C	ZINC001573344215	947568358	/nfs/dbraw/zinc/56/83/58/947568358.db2.gz	ZIYDDHXNUDSEQN-XJKSGUPXSA-N	1	0	356.430	1.148	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1c1ccc(OC)cc1	ZINC001090879320	947574201	/nfs/dbraw/zinc/57/42/01/947574201.db2.gz	KZJUHZPGPUAPMO-JKSUJKDBSA-N	1	0	356.426	1.518	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)C[C@H]1c1ccc(OC)cc1	ZINC001090883052	947622118	/nfs/dbraw/zinc/62/21/18/947622118.db2.gz	XFFFUCPAQDDKPO-BPQIPLTHSA-N	1	0	357.454	1.434	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1c1ccc(OC)cc1	ZINC001090884784	947649720	/nfs/dbraw/zinc/64/97/20/947649720.db2.gz	KSIGYPNNRYWROL-ZWKOTPCHSA-N	1	0	370.457	1.232	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@H]1c1ccc(OC)cc1	ZINC001090885462	947661101	/nfs/dbraw/zinc/66/11/01/947661101.db2.gz	QMISZPMLBYASMO-RBUKOAKNSA-N	1	0	367.449	1.627	20	30		FDEDRO
CC#CCCCC(=O)N(C)CC(C)(C)CNc1cc[nH+]cc1-c1nn[nH]n1	ZINC001573358586	947665570	/nfs/dbraw/zinc/66/55/70/947665570.db2.gz	FNSLHUXMMLSOJW-UHFFFAOYSA-N	1	0	369.473	1.774	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)CC1	ZINC000844055971	947674929	/nfs/dbraw/zinc/67/49/29/947674929.db2.gz	XOLFLZIUCIKWIW-AWEZNQCLSA-N	1	0	359.392	1.391	20	30		FDEDRO
CO[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C	ZINC001090905480	947908858	/nfs/dbraw/zinc/90/88/58/947908858.db2.gz	YGTLEUPDIWNMRC-NUJGCVRESA-N	1	0	359.474	1.168	20	30		FDEDRO
CO[C@@H]1CN(c2cc(C)ncc2C#N)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C	ZINC001090905482	947909110	/nfs/dbraw/zinc/90/91/10/947909110.db2.gz	YJSULDMEMBWUKG-NXHRZFHOSA-N	1	0	359.474	1.168	20	30		FDEDRO
CN(C[C@H](O)C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1)C(=O)OC(C)(C)C	ZINC000844371276	947998308	/nfs/dbraw/zinc/99/83/08/947998308.db2.gz	MHINHIYXTAWGPF-IAGOWNOFSA-N	1	0	363.458	1.751	20	30		FDEDRO
C[N@H+](CCC(=O)Nc1sccc1C(N)=O)C[C@@H](O)c1cccc(C#N)c1	ZINC000844367000	948016775	/nfs/dbraw/zinc/01/67/75/948016775.db2.gz	QCTKSEIUJWFSDT-OAHLLOKOSA-N	1	0	372.450	1.713	20	30		FDEDRO
COC(=O)CC1([NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1	ZINC000844385311	948019908	/nfs/dbraw/zinc/01/99/08/948019908.db2.gz	HKKDKYPZZLXCNY-CYBMUJFWSA-N	1	0	350.378	1.909	20	30		FDEDRO
Nc1nc(OCc2ccc(C[NH3+])cc2)c2ncnc-2n1C(=O)CCS	ZINC001143985865	948072661	/nfs/dbraw/zinc/07/26/61/948072661.db2.gz	LRPZMOQMGUFTCV-UHFFFAOYSA-N	1	0	358.427	1.237	20	30		FDEDRO
CC(C)(C)OC(=O)NC1CC[NH+]([C@@H]2CCN(C(=O)CCS)C2)CC1	ZINC001143986348	948072885	/nfs/dbraw/zinc/07/28/85/948072885.db2.gz	JLMTVJLVMGIYRN-CQSZACIVSA-N	1	0	357.520	1.896	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@H]3OC[C@@H](C(=O)N4CCCC4)C[C@H]3C2)nc1	ZINC001144157488	948299687	/nfs/dbraw/zinc/29/96/87/948299687.db2.gz	KXFIWLNMKKSWBI-JENIJYKNSA-N	1	0	354.454	1.803	20	30		FDEDRO
CC[NH+](CC)Cc1cc(=O)n2c(n1)CN(Cc1ccc(C#N)cn1)CCC2	ZINC001144158454	948301751	/nfs/dbraw/zinc/30/17/51/948301751.db2.gz	GJGUZFDVVJUXCR-UHFFFAOYSA-N	1	0	366.469	1.758	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C(=O)NCc4ccco4)[C@@H]3C2)nc1	ZINC001144158534	948301817	/nfs/dbraw/zinc/30/18/17/948301817.db2.gz	KECKLRIVKAHBAC-LZQZEXGQSA-N	1	0	366.421	1.557	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@H]3COCCO3)CC2)c1	ZINC000844904050	948490389	/nfs/dbraw/zinc/49/03/89/948490389.db2.gz	XSLGCKGKPRQYJY-SFHVURJKSA-N	1	0	358.442	1.237	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCO[C@@H]2CN(c3nc(C)ccc3C#N)C[C@@H]21	ZINC001091047101	948610065	/nfs/dbraw/zinc/61/00/65/948610065.db2.gz	UVBQNXNMJLSCEV-DLBZAZTESA-N	1	0	357.458	1.020	20	30		FDEDRO
Cc1nsc(N2C[C@H]3OCCN(C(=O)CCC[NH+](C)C)[C@H]3C2)c1C#N	ZINC001091058231	948764542	/nfs/dbraw/zinc/76/45/42/948764542.db2.gz	IERYMCQXQRKGGD-LSDHHAIUSA-N	1	0	363.487	1.081	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)ccc1F	ZINC001196174379	971520959	/nfs/dbraw/zinc/52/09/59/971520959.db2.gz	UREZQPUUONNOQZ-HNNXBMFYSA-N	1	0	367.446	1.619	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCC(=O)N(C)OCC(F)(F)F)CC1	ZINC000857000298	971521114	/nfs/dbraw/zinc/52/11/14/971521114.db2.gz	JYBKXBWAADMGDM-UHFFFAOYSA-N	1	0	366.384	1.278	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](Cc2cc(C(=O)OC)c3n2CCCC3)CC1	ZINC000857013165	971533418	/nfs/dbraw/zinc/53/34/18/971533418.db2.gz	HVDOBBFQRIOHEE-UHFFFAOYSA-N	1	0	357.454	1.572	20	30		FDEDRO
CC(=O)N[C@@H](CS)C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1	ZINC001144415644	949055408	/nfs/dbraw/zinc/05/54/08/949055408.db2.gz	UGTKNIHVTNEJPK-BZSNNMDCSA-N	1	0	374.510	1.591	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)CC1	ZINC000775702141	971583404	/nfs/dbraw/zinc/58/34/04/971583404.db2.gz	JUAJFCLGLWEJHK-INIZCTEOSA-N	1	0	371.441	1.209	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCOC[C@H]3CCO)CC2)c1	ZINC000845742804	949876059	/nfs/dbraw/zinc/87/60/59/949876059.db2.gz	LREFRBBYUAQVIJ-LJQANCHMSA-N	1	0	372.469	1.315	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@@H](NC(=O)CC3([NH+](C)C)CCCC3)[C@@H](O)C2)n1	ZINC001091164556	949958956	/nfs/dbraw/zinc/95/89/56/949958956.db2.gz	ZUSUVJDHOBREMO-SJORKVTESA-N	1	0	371.485	1.192	20	30		FDEDRO
CCOC(=O)CN(CC[NH3+])C(=O)c1cc(O)cc(-c2cccc(C#N)c2)c1	ZINC001196329491	971622573	/nfs/dbraw/zinc/62/25/73/971622573.db2.gz	CTYDMLFEQKWYRD-UHFFFAOYSA-N	1	0	367.405	1.895	20	30		FDEDRO
C[C@H](CN(C)C(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001574739383	950189849	/nfs/dbraw/zinc/18/98/49/950189849.db2.gz	OMICFHPIODKSLR-GFCCVEGCSA-N	1	0	364.413	1.317	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1	ZINC000857212203	971650735	/nfs/dbraw/zinc/65/07/35/971650735.db2.gz	HESMKXBLPCTKCC-KRWDZBQOSA-N	1	0	365.499	1.312	20	30		FDEDRO
C=CCOC[C@@H](NC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1)C(=O)OC	ZINC000857199078	971646266	/nfs/dbraw/zinc/64/62/66/971646266.db2.gz	AIDUYQBBKHTBGE-QZTJIDSGSA-N	1	0	360.454	1.970	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C	ZINC000846059524	950368766	/nfs/dbraw/zinc/36/87/66/950368766.db2.gz	FHKJEAADGNAEQD-PMPSAXMXSA-N	1	0	369.506	1.929	20	30		FDEDRO
CNC(=O)CO[C@@H]1COC2(C1)CC[NH+]([C@H](C)Cc1cccc(C#N)c1)CC2	ZINC001171213268	950546971	/nfs/dbraw/zinc/54/69/71/950546971.db2.gz	XVYUJKIEHYXCFK-APWZRJJASA-N	1	0	371.481	1.875	20	30		FDEDRO
C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC(C(=O)N2CCN(C)CC2)CC1	ZINC001171222631	950950778	/nfs/dbraw/zinc/95/07/78/950950778.db2.gz	HYJWBDJZQJNCKH-KRWDZBQOSA-N	1	0	354.498	1.975	20	30		FDEDRO
CC[C@@H](C(=O)N1CC[C@H]2CCN(c3cncc(C#N)n3)[C@H]2C1)[NH+](CC)CC	ZINC001091230343	951120625	/nfs/dbraw/zinc/12/06/25/951120625.db2.gz	MKDVLOPEQZGNEH-SZMVWBNQSA-N	1	0	370.501	1.896	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ncnn2C(C)(C)C)C1	ZINC001091238903	951128214	/nfs/dbraw/zinc/12/82/14/951128214.db2.gz	KZGBBPLUVKMUNL-FJBKBRRZSA-N	1	0	361.490	1.609	20	30		FDEDRO
Cc1cc(N[C@@H]2CCCC[C@H]2NC(=O)[C@H](C2CC2)[NH+](C)C)c(C#N)cn1	ZINC001091281393	951305045	/nfs/dbraw/zinc/30/50/45/951305045.db2.gz	INWMSLIIVUZVGQ-LMMKCTJWSA-N	1	0	355.486	1.863	20	30		FDEDRO
N=C(Nc1cncc(OCC[NH+]2CCCC2)n1)c1ccc(C(N)=O)cc1	ZINC001171252310	951586273	/nfs/dbraw/zinc/58/62/73/951586273.db2.gz	ADUYQXRVSUVGJX-UHFFFAOYSA-N	1	0	354.414	1.087	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)c2)C1	ZINC001091403798	951596836	/nfs/dbraw/zinc/59/68/36/951596836.db2.gz	AOKMEHDPVXPDFT-ROMHJBHXSA-N	1	0	369.465	1.760	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)c2)C1	ZINC001091404161	951598330	/nfs/dbraw/zinc/59/83/30/951598330.db2.gz	GAKQSSLDCUIQMZ-JOCLIGHLSA-N	1	0	369.465	1.599	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H]3CCO[C@H]3C=C)c2)C1	ZINC001091404983	951599270	/nfs/dbraw/zinc/59/92/70/951599270.db2.gz	QKXGFLZBTGSEMA-QRVBRYPASA-N	1	0	355.438	1.375	20	30		FDEDRO
C#CCOCCNC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1	ZINC000753167439	951663843	/nfs/dbraw/zinc/66/38/43/951663843.db2.gz	QQLPSZJQVHMCCQ-UHFFFAOYSA-N	1	0	351.491	1.749	20	30		FDEDRO
C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)c1cc(C#N)c[nH]1	ZINC001575101493	951859168	/nfs/dbraw/zinc/85/91/68/951859168.db2.gz	FTSAFEJWODOCHC-SNVBAGLBSA-N	1	0	370.442	1.378	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCOC3)C[C@]2(C)C1	ZINC001091528359	951946431	/nfs/dbraw/zinc/94/64/31/951946431.db2.gz	DPPHRMXAWIVWER-CDXJDZJCSA-N	1	0	369.465	1.884	20	30		FDEDRO
C[C@]12CN(C(=O)c3nccnc3N)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001091549869	952015704	/nfs/dbraw/zinc/01/57/04/952015704.db2.gz	MRQSQHQUPBNJFD-UZLBHIALSA-N	1	0	362.437	1.525	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3CCNC(=O)C3)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001091590097	952194248	/nfs/dbraw/zinc/19/42/48/952194248.db2.gz	DQHCXPNDFXAFIK-UEXGIBASSA-N	1	0	366.465	1.365	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)Cc4ccc(C)o4)C[C@]3(C)C2)C1=O	ZINC001091608456	952271307	/nfs/dbraw/zinc/27/13/07/952271307.db2.gz	VLHSTKOIJKOFAL-BLIXFSHQSA-N	1	0	371.481	1.698	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(C#N)n2)C1	ZINC001091609560	952275611	/nfs/dbraw/zinc/27/56/11/952275611.db2.gz	TUIYCMUJQLGMCY-ZNMIVQPWSA-N	1	0	362.453	1.147	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC[C@H]1CC[C@@H](Nc2ccnc(C#N)n2)C1	ZINC001091612052	952292910	/nfs/dbraw/zinc/29/29/10/952292910.db2.gz	HCUCLKJAEDKKGN-GVDBMIGSSA-N	1	0	370.501	1.730	20	30		FDEDRO
N#Cc1nccc(N[C@@H]2CC[C@H](CNC(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)n1	ZINC001091620992	952336779	/nfs/dbraw/zinc/33/67/79/952336779.db2.gz	KOCRDRGNMZQODF-GMBSWORKSA-N	1	0	368.485	1.341	20	30		FDEDRO
CCn1ncc(C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@@]3(C)C2)n1	ZINC001091649380	952493429	/nfs/dbraw/zinc/49/34/29/952493429.db2.gz	IGNVWXIJZUFTBH-XLIONFOSSA-N	1	0	364.453	1.764	20	30		FDEDRO
C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1C[N@H+](CC(=O)N1CCCCCCC1)C2	ZINC001091659538	952519301	/nfs/dbraw/zinc/51/93/01/952519301.db2.gz	NIPMBDIYPSEMKB-KNQAVFIVSA-N	1	0	371.525	1.973	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1C[C@@H](CNc2ncccc2C#N)[C@H](OCC)C1	ZINC001091668627	952559165	/nfs/dbraw/zinc/55/91/65/952559165.db2.gz	SXJNSQUHEIJIOA-IAGOWNOFSA-N	1	0	359.474	1.570	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@]34CCC[C@H]3OCC4)C2)C1	ZINC001147876896	952568296	/nfs/dbraw/zinc/56/82/96/952568296.db2.gz	HCBLIWVGJZEGHY-QINHECLXSA-N	1	0	361.486	1.171	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C2)C1	ZINC001147911360	952576141	/nfs/dbraw/zinc/57/61/41/952576141.db2.gz	ULCQFSWRJYDHCX-ZACQAIPSSA-N	1	0	363.502	1.689	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3ccnn3C)C[C@@]2(C)C1	ZINC001091682640	952623411	/nfs/dbraw/zinc/62/34/11/952623411.db2.gz	ALRQMOPBKIBCHK-LBKNJMOBSA-N	1	0	358.486	1.682	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc(Cn4cccn4)o3)C[C@]2(C)C1	ZINC001091691871	952645588	/nfs/dbraw/zinc/64/55/88/952645588.db2.gz	OJPNSYBJDKSCCL-UZLBHIALSA-N	1	0	352.438	1.942	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN(C(=O)C4CC4)C3)C[C@]2(C)C1	ZINC001091695304	952651394	/nfs/dbraw/zinc/65/13/94/952651394.db2.gz	HSSJFZQCXRTTLT-UEXGIBASSA-N	1	0	359.514	1.991	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@@]2(C)C1	ZINC001091701647	952668378	/nfs/dbraw/zinc/66/83/78/952668378.db2.gz	FBTFSUBVVCCSJH-PXAZEXFGSA-N	1	0	367.881	1.167	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](C[C@@H](O)CC(F)(F)F)C2	ZINC001148310981	952680148	/nfs/dbraw/zinc/68/01/48/952680148.db2.gz	SABGZJCVNRBQFQ-MJBXVCDLSA-N	1	0	362.392	1.425	20	30		FDEDRO
O=C(OCc1ccccc1NC[C@@H]1CCCC[NH2+]1)ON1C(=O)CCC1=O	ZINC001171335292	952771417	/nfs/dbraw/zinc/77/14/17/952771417.db2.gz	VEIJXYCWENYIRS-AWEZNQCLSA-N	1	0	361.398	1.958	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H](C)c3nnc(CC)[nH]3)C2)cn1	ZINC001086857532	952875394	/nfs/dbraw/zinc/87/53/94/952875394.db2.gz	HZLYWNVRWOQRIN-JKIFEVAISA-N	1	0	366.469	1.993	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3CCC)C2)cn1	ZINC001086857749	952875822	/nfs/dbraw/zinc/87/58/22/952875822.db2.gz	UARLFUCNMDRMNM-WMLDXEAASA-N	1	0	367.457	1.148	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCn3nc(C)nc3C)C2)nc1	ZINC001086857129	952903909	/nfs/dbraw/zinc/90/39/09/952903909.db2.gz	MFVWLVUKSPKHOX-ZWKOTPCHSA-N	1	0	366.469	1.460	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)C(F)F)C[C@H]2[NH2+]Cc2ccc(C#N)s2)cn1	ZINC001086961535	952958547	/nfs/dbraw/zinc/95/85/47/952958547.db2.gz	JFSNCDIFGYYMCV-UONOGXRCSA-N	1	0	365.409	1.703	20	30		FDEDRO
CSCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001086965350	952960446	/nfs/dbraw/zinc/96/04/46/952960446.db2.gz	ATZJNIDUEDYLSC-ZWKOTPCHSA-N	1	0	369.494	1.739	20	30		FDEDRO
COc1ccnc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2c2cnn(C)c2)c1	ZINC001086970816	952972543	/nfs/dbraw/zinc/97/25/43/952972543.db2.gz	IVQVULIBTMHEQJ-JEBQAFNWSA-N	1	0	368.441	1.068	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCc2ccccc2F)C1	ZINC001086971212	952973846	/nfs/dbraw/zinc/97/38/46/952973846.db2.gz	BZGWFTXCRCGXJO-UCLAIMLFSA-N	1	0	369.444	1.846	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[C@@H]2CCCCO2)C[C@H]1c1cnn(C)c1	ZINC001086979042	952991737	/nfs/dbraw/zinc/99/17/37/952991737.db2.gz	GCKDNSUPDGBTIA-KSZLIROESA-N	1	0	358.486	1.533	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C2(Cc3ccccc3)CC2)C[C@H]1c1cnn(C)c1	ZINC001086982667	952995756	/nfs/dbraw/zinc/99/57/56/952995756.db2.gz	WPIJISDTNHBCPU-VQTJNVASSA-N	1	0	362.477	1.960	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3nc[nH]c3n2)C[C@H]1c1cnn(C)c1	ZINC001086983819	952997975	/nfs/dbraw/zinc/99/79/75/952997975.db2.gz	JUSYHAVKLIJFLH-XJKSGUPXSA-N	1	0	351.414	1.075	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OCC=C)cc2)C[C@H]1c1cnn(C)c1	ZINC001086984746	952999386	/nfs/dbraw/zinc/99/93/86/952999386.db2.gz	BGGCVDDXAVNQOO-VQTJNVASSA-N	1	0	364.449	1.816	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3[nH]nc(C)c3c2)C[C@H]1c1cnn(C)c1	ZINC001086987537	953009945	/nfs/dbraw/zinc/00/99/45/953009945.db2.gz	XTTWDSLAMZCIGA-PKOBYXMFSA-N	1	0	364.453	1.989	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccnn2C)C[C@H]1c1cnn(C)c1	ZINC001086989007	953013189	/nfs/dbraw/zinc/01/31/89/953013189.db2.gz	BRVWZTYSUHTWJH-ZJPYXAASSA-N	1	0	368.485	1.417	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2ccn(C(C)C)n2)C[C@H]1c1cnn(C)c1	ZINC001086988988	953013347	/nfs/dbraw/zinc/01/33/47/953013347.db2.gz	AVSZFNYVELOKPH-ZWKOTPCHSA-N	1	0	356.474	1.510	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2cccc(C)c2)C[C@H]1c1cnn(C)c1	ZINC001086989892	953015302	/nfs/dbraw/zinc/01/53/02/953015302.db2.gz	ZDUPMNZOKGWNGL-VQTJNVASSA-N	1	0	350.466	1.879	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cc(C3CC3)no2)C[C@H]1c1cnn(C)c1	ZINC001086981737	953033520	/nfs/dbraw/zinc/03/35/20/953033520.db2.gz	AKFGCBPRXMXOQD-FUHWJXTLSA-N	1	0	353.426	1.045	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c(C3CC3)cnn2C)C[C@H]1c1cnn(C)c1	ZINC001086981701	953033676	/nfs/dbraw/zinc/03/36/76/953033676.db2.gz	YRZOTIYKMQWRFQ-DLBZAZTESA-N	1	0	354.458	1.415	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1c1cnn(C)c1	ZINC001086982104	953034845	/nfs/dbraw/zinc/03/48/45/953034845.db2.gz	TXRLOWCSTNXYOP-JKSUJKDBSA-N	1	0	350.438	1.399	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC3CCC3)C2)c1	ZINC001086996017	953035525	/nfs/dbraw/zinc/03/55/25/953035525.db2.gz	IPSFIEOSCUHZAI-VQTJNVASSA-N	1	0	363.465	1.794	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2ccnc2)C[C@H]1c1cnn(C)c1	ZINC001086999867	953048336	/nfs/dbraw/zinc/04/83/36/953048336.db2.gz	ZJHPUOVXLXYIFF-BPQIPLTHSA-N	1	0	356.474	1.728	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cnc(C3CC3)nc2)C[C@H]1c1cnn(C)c1	ZINC001087000732	953051998	/nfs/dbraw/zinc/05/19/98/953051998.db2.gz	MDJXVBZIJQLHOW-ZWKOTPCHSA-N	1	0	366.469	1.861	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C)cc3cn[nH]c32)C[C@H]1c1cnn(C)c1	ZINC001087001943	953056248	/nfs/dbraw/zinc/05/62/48/953056248.db2.gz	YGISOORDDFJLJW-ZWKOTPCHSA-N	1	0	364.453	1.989	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn(CC)c2C2CC2)C[C@H]1c1cnn(C)c1	ZINC001087005327	953064053	/nfs/dbraw/zinc/06/40/53/953064053.db2.gz	XPSAKYSFPYAGBD-ZWKOTPCHSA-N	1	0	366.469	1.345	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2C(F)F)C[C@H]1c1cnn(C)c1	ZINC001087005322	953064314	/nfs/dbraw/zinc/06/43/14/953064314.db2.gz	XMURPLQLATXYTO-UONOGXRCSA-N	1	0	364.400	1.475	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn(C(C)C)nc2C)C[C@H]1c1cnn(C)c1	ZINC001087005626	953065328	/nfs/dbraw/zinc/06/53/28/953065328.db2.gz	LYINZKKAWHNAAJ-ZWKOTPCHSA-N	1	0	356.474	1.890	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087020516	953082989	/nfs/dbraw/zinc/08/29/89/953082989.db2.gz	XDLDYWLKTBNQBU-IEBWSBKVSA-N	1	0	365.437	1.615	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COc2cc(C)ccc2C)C[C@H]1c1cnn(C)c1	ZINC001087008901	953096484	/nfs/dbraw/zinc/09/64/84/953096484.db2.gz	CPLLFCUIKLHNML-RBUKOAKNSA-N	1	0	366.465	1.633	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn3c(cccc3C)n2)C[C@H]1c1cnn(C)c1	ZINC001087009087	953096788	/nfs/dbraw/zinc/09/67/88/953096788.db2.gz	NSEYRUHFCHRKQM-DLBZAZTESA-N	1	0	364.453	1.760	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)COc2ccccc2OC)C[C@H]1c1cnn(C)c1	ZINC001087009237	953097256	/nfs/dbraw/zinc/09/72/56/953097256.db2.gz	WZMWJIASFHEPEY-DLBZAZTESA-N	1	0	370.453	1.578	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cccc(F)c2)C[C@H]1c1cnn(C)c1	ZINC001087010541	953101834	/nfs/dbraw/zinc/10/18/34/953101834.db2.gz	GDOVTFVLTVAGLM-MDASCCDHSA-N	1	0	354.429	1.880	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)COC)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001087012955	953108285	/nfs/dbraw/zinc/10/82/85/953108285.db2.gz	XNAQYRWSWMRDHM-SJLPKXTDSA-N	1	0	361.442	1.188	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C)n[nH]2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087031243	953127189	/nfs/dbraw/zinc/12/71/89/953127189.db2.gz	QXIIECUJFYLJSG-IEBWSBKVSA-N	1	0	367.453	1.857	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H]2CCCOC2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087033570	953135743	/nfs/dbraw/zinc/13/57/43/953135743.db2.gz	VYXSQPYMIVHXLH-XUVXKRRUSA-N	1	0	371.481	1.938	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1ccnc(Cl)c1	ZINC001087035527	953145102	/nfs/dbraw/zinc/14/51/02/953145102.db2.gz	CXNMBVSPTVWEKO-BPLDGKMQSA-N	1	0	350.850	1.848	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1nc2ccccc2o1	ZINC001087035616	953145693	/nfs/dbraw/zinc/14/56/93/953145693.db2.gz	HREZBMSQOMEDOA-JJRVBVJISA-N	1	0	356.426	1.941	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1nnc(C(C)C)s1	ZINC001087035954	953146357	/nfs/dbraw/zinc/14/63/57/953146357.db2.gz	SEKSVZPASGUTGK-MGPQQGTHSA-N	1	0	365.503	1.774	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)/C=C\C3CC3)C[C@H]2OCC)C1=O	ZINC001087039258	953155332	/nfs/dbraw/zinc/15/53/32/953155332.db2.gz	NGZMZHUQYQOSPM-PUSMVSPTSA-N	1	0	361.486	1.193	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1nccc(C)n1	ZINC001087039881	953156401	/nfs/dbraw/zinc/15/64/01/953156401.db2.gz	IAMQLALYWCOHLS-NVXWUHKLSA-N	1	0	368.441	1.252	20	30		FDEDRO
CCOc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2OCC)s1	ZINC001087034462	953172346	/nfs/dbraw/zinc/17/23/46/953172346.db2.gz	GNNJXZWNAAVPHI-YNEHKIRRSA-N	1	0	367.475	1.050	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H]2CCN(C)C2=O)[C@H](OCC)C1	ZINC001087057640	953192685	/nfs/dbraw/zinc/19/26/85/953192685.db2.gz	NJPKVUJDONOFSD-QLFBSQMISA-N	1	0	371.909	1.449	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1cc(C)no1	ZINC001087046153	953193089	/nfs/dbraw/zinc/19/30/89/953193089.db2.gz	NJQXHRYGJSYEGR-CXAGYDPISA-N	1	0	357.414	1.450	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]C[C@H]1CCCOC1	ZINC001087046977	953195646	/nfs/dbraw/zinc/19/56/46/953195646.db2.gz	LFMHKRBATTUQSN-QGPMSJSTSA-N	1	0	360.458	1.380	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087074730	953230451	/nfs/dbraw/zinc/23/04/51/953230451.db2.gz	GTVSSHGMDBBJJQ-OBKDMQGPSA-N	1	0	369.465	1.404	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C3(CC)CC3)C[C@H]2OCC)C1=O	ZINC001087081022	953267255	/nfs/dbraw/zinc/26/72/55/953267255.db2.gz	RHTCGODWQLCNRG-IXDOHACOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)C2CCOCC2)C1=O	ZINC001087108490	953278983	/nfs/dbraw/zinc/27/89/83/953278983.db2.gz	UFBVJGFMWXFCCE-NJAFHUGGSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cn(CC(F)F)nc3C)C[C@]2(C)C1	ZINC001091765059	953288007	/nfs/dbraw/zinc/28/80/07/953288007.db2.gz	ZMLIMLHKWJXLQJ-KDOFPFPSSA-N	1	0	350.413	1.874	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H]2CN(C(=O)c3cn4c(n3)C[C@H](OC)CC4)C[C@]2(C)C1	ZINC001091779858	953354140	/nfs/dbraw/zinc/35/41/40/953354140.db2.gz	MGUUMPFUCOLTQU-QINHECLXSA-N	1	0	356.470	1.262	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CC23CCN(C(=O)[C@@H]2C[C@H]2CC)CC3)CC1	ZINC000964018077	1013114987	/nfs/dbraw/zinc/11/49/87/1013114987.db2.gz	FCYTXKJWYWEXAZ-QRQLOZEOSA-N	1	0	371.525	1.875	20	30		FDEDRO
CC[C@H](C(=O)N[C@H]1CCN(c2cncc(C#N)n2)[C@@H]1CC)[NH+](CC)CC	ZINC001091826379	953501437	/nfs/dbraw/zinc/50/14/37/953501437.db2.gz	VWWKGPDSWZOREJ-GVDBMIGSSA-N	1	0	358.490	1.942	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1C[C@H]2CCN(c3cc(C#N)nc(CC)n3)C[C@H]2C1	ZINC001091858293	953575628	/nfs/dbraw/zinc/57/56/28/953575628.db2.gz	KEXNKGPLVRLLAZ-CVEARBPZSA-N	1	0	370.501	1.537	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)Cn3ncc4cc(C)cnc43)C[C@]2(C)C1	ZINC001091860883	953588292	/nfs/dbraw/zinc/58/82/92/953588292.db2.gz	NFXIKHGEXNOELR-XLIONFOSSA-N	1	0	351.454	1.543	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C[C@]2(C)C1	ZINC001091863770	953604340	/nfs/dbraw/zinc/60/43/40/953604340.db2.gz	OKVPGBGJBXAZJU-WWNBULGVSA-N	1	0	363.502	1.546	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@H]3CCNC3=O)C[C@H]1C[N@H+](CC#Cc1ccc(F)cc1)C2	ZINC001091910936	953697991	/nfs/dbraw/zinc/69/79/91/953697991.db2.gz	JXIUALRPQRNAIG-BLIXFSHQSA-N	1	0	369.440	1.094	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC(=O)Nc4ccccc43)C[C@]2(C)C1	ZINC001091898903	953739406	/nfs/dbraw/zinc/73/94/06/953739406.db2.gz	XXRAHEIKPTWODD-KUDFPVQQSA-N	1	0	351.450	1.916	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(-n4cncn4)nc3)C[C@]2(C)C1	ZINC001091899027	953739872	/nfs/dbraw/zinc/73/98/72/953739872.db2.gz	FMVCCKKWDGHCGC-APWZRJJASA-N	1	0	352.442	1.632	20	30		FDEDRO
CN1C(=O)CC[C@@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@]2(C)C1	ZINC001091945126	953806849	/nfs/dbraw/zinc/80/68/49/953806849.db2.gz	NIKQFAQOINPGBU-OPYAIIAOSA-N	1	0	366.465	1.459	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@H]3C[N@H+](CCN4CCNC4=O)C[C@@]3(C)C2)CC1	ZINC001091978985	953975526	/nfs/dbraw/zinc/97/55/26/953975526.db2.gz	OKNXWKVVKOFBEE-XLIONFOSSA-N	1	0	360.502	1.538	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)C2CCCCC2)C1	ZINC001196897886	971980055	/nfs/dbraw/zinc/98/00/55/971980055.db2.gz	FUEZVLGUDFUBPR-CGTJXYLNSA-N	1	0	365.518	1.589	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]1C[N@H+](Cc1ccc(C#N)c(F)c1)C2	ZINC001092018181	954076440	/nfs/dbraw/zinc/07/64/40/954076440.db2.gz	WOQWXRJFXLQVKH-DICRZQGBSA-N	1	0	370.428	1.099	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCn3nc(C)nc3C)C[C@@]2(C)C1	ZINC001092030013	954128636	/nfs/dbraw/zinc/12/86/36/954128636.db2.gz	OQHAPROKALUTOV-XSYGEPLQSA-N	1	0	373.501	1.266	20	30		FDEDRO
C[C@@H](COCC(=O)N[C@H]1CCN(c2ccc(C#N)nc2)[C@@H]1C)[NH+]1CCCC1	ZINC001092050921	954137448	/nfs/dbraw/zinc/13/74/48/954137448.db2.gz	GZTREQHWFJYHQI-FCEWJHQRSA-N	1	0	371.485	1.538	20	30		FDEDRO
C[C@]12CN(C(=O)Cc3cnc[nH]3)C[C@H]1C[N@H+](CC#Cc1ccc(F)cc1)C2	ZINC001092051929	954143469	/nfs/dbraw/zinc/14/34/69/954143469.db2.gz	VWZNAEDAPREWMF-UTKZUKDTSA-N	1	0	366.440	1.923	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]21	ZINC000961995728	1013120427	/nfs/dbraw/zinc/12/04/27/1013120427.db2.gz	PKASXZVXLAPDKY-APWQULEDSA-N	1	0	361.486	1.027	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3C[N@@H+](Cc4cncc(C)c4)C[C@@]3(C)C2)nn1	ZINC001092080625	954228051	/nfs/dbraw/zinc/22/80/51/954228051.db2.gz	BHYLVLBYYDXNFS-XLIONFOSSA-N	1	0	366.469	1.762	20	30		FDEDRO
C[C@]12CN(C(=O)C[C@@H]3CCC(=O)N3)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001092093159	954263721	/nfs/dbraw/zinc/26/37/21/954263721.db2.gz	OIAJZUIFSQIOER-LQWHRVPQSA-N	1	0	366.465	1.507	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc4n[nH]c(=O)n4c3)C[C@]2(C)C1	ZINC001092097493	954287936	/nfs/dbraw/zinc/28/79/36/954287936.db2.gz	WORHXTCAIMQNKJ-BEFAXECRSA-N	1	0	355.442	1.795	20	30		FDEDRO
CC[C@@H](C(=O)N1C[C@H]2CN(c3ccnc(C#N)n3)C[C@@]2(C)C1)[NH+](CC)CC	ZINC001092306984	954774605	/nfs/dbraw/zinc/77/46/05/954774605.db2.gz	OAJJDDYTLNZDEX-GUXCAODWSA-N	1	0	370.501	1.753	20	30		FDEDRO
Cn1cncc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1Nc1ncccc1C#N	ZINC001092314217	954807557	/nfs/dbraw/zinc/80/75/57/954807557.db2.gz	BCQWJLIZPVPARC-HZPDHXFCSA-N	1	0	367.457	1.045	20	30		FDEDRO
Cc1nc(N2C[C@@H]3CN(C(=O)C[N@@H+](C)C(C)C)C[C@]3(C)C2)ccc1C#N	ZINC001092291716	954889488	/nfs/dbraw/zinc/88/94/88/954889488.db2.gz	GQEWDRAPYXKAMW-XLIONFOSSA-N	1	0	355.486	1.887	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)c1cnccn1	ZINC001092438840	955100634	/nfs/dbraw/zinc/10/06/34/955100634.db2.gz	IYQVPKGNRLWYPK-NVXWUHKLSA-N	1	0	365.437	1.877	20	30		FDEDRO
Cc1cc(N2C[C@@H](CNC(=O)C[N@H+]3CC[C@@H](C)C3)[C@H](C)C2)c(C#N)cn1	ZINC001092444672	955116473	/nfs/dbraw/zinc/11/64/73/955116473.db2.gz	IBGHEGAFOFOEPE-IIDMSEBBSA-N	1	0	355.486	1.792	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@@H](CNC(=O)C[N@@H+]3CCC[C@H]3C)[C@H](C)C2)n1	ZINC001092445435	955118945	/nfs/dbraw/zinc/11/89/45/955118945.db2.gz	SHBKJBWNITVOKF-QGPMSJSTSA-N	1	0	355.486	1.935	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C	ZINC001092460670	955185136	/nfs/dbraw/zinc/18/51/36/955185136.db2.gz	XGDUYYVQEISQRO-BZUAXINKSA-N	1	0	356.474	1.411	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3cnccc3C)[C@H](C)C2)C1=O	ZINC001092519022	955305506	/nfs/dbraw/zinc/30/55/06/955305506.db2.gz	HNTKKPVWGRSHCB-NUJGCVRESA-N	1	0	356.470	1.475	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3cncc(C)c3)[C@H](C)C2)C1=O	ZINC001092520775	955310073	/nfs/dbraw/zinc/31/00/73/955310073.db2.gz	QSHVWXPLURLJAZ-KBAYOESNSA-N	1	0	356.470	1.475	20	30		FDEDRO
CC[NH+](CC)CC(=O)NCC[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1C	ZINC001092524173	955323877	/nfs/dbraw/zinc/32/38/77/955323877.db2.gz	YBYUIGLQCAGYTL-GDBMZVCRSA-N	1	0	358.490	1.577	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)c1cncnc1	ZINC001092558666	955444501	/nfs/dbraw/zinc/44/45/01/955444501.db2.gz	QQGVBBVNRZKPFL-CRAIPNDOSA-N	1	0	352.413	1.965	20	30		FDEDRO
CC(=O)N1CC(C(=O)NC[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2C)C1	ZINC001092567936	955480218	/nfs/dbraw/zinc/48/02/18/955480218.db2.gz	AXHXSGYXOWEKTA-RDTXWAMCSA-N	1	0	354.454	1.221	20	30		FDEDRO
CC(C)[C@H](C(=O)NCC[C@@H]1CN(c2nccnc2C#N)C[C@H]1C)[NH+](C)C	ZINC001092533330	955502079	/nfs/dbraw/zinc/50/20/79/955502079.db2.gz	LRTHMLMSUOCGQL-BFYDXBDKSA-N	1	0	358.490	1.513	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@H]1CCNC(=O)C1	ZINC001092536554	955516811	/nfs/dbraw/zinc/51/68/11/955516811.db2.gz	IBOVKSMCFSDMRK-FHLIZLRMSA-N	1	0	354.454	1.269	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CNC(=O)c2ncc[nH]2)[C@H](C)C1	ZINC001092597689	955600891	/nfs/dbraw/zinc/60/08/91/955600891.db2.gz	PRXGPXHHZXGKAS-CZUORRHYSA-N	1	0	353.426	1.788	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001092598179	955603181	/nfs/dbraw/zinc/60/31/81/955603181.db2.gz	PBNILFWKEVKDGH-GFOCRRMGSA-N	1	0	370.501	1.576	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CCNC(=O)[C@H]1CCCC[N@@H+]1C	ZINC001092598956	955608262	/nfs/dbraw/zinc/60/82/62/955608262.db2.gz	HNXSJBLWMLLGEG-BFYDXBDKSA-N	1	0	356.474	1.411	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]3CCC[C@H]3C)C2)n1	ZINC001092583990	955730502	/nfs/dbraw/zinc/73/05/02/955730502.db2.gz	BQOWAUJJUCBHMB-DJIMGWMZSA-N	1	0	370.501	1.720	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)[C@H](C)C1	ZINC001092615306	955823348	/nfs/dbraw/zinc/82/33/48/955823348.db2.gz	DHFGNYRYRUTUQT-NCXUSEDFSA-N	1	0	354.498	1.861	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cncc(OC)n2)C[C@H]1C	ZINC001092617318	955829877	/nfs/dbraw/zinc/82/98/77/955829877.db2.gz	KFDRZRWLTXQMBI-AHCXZYCDSA-N	1	0	374.485	1.651	20	30		FDEDRO
CC[C@@H](C(=O)NC[C@]12CCC[C@H]1N(c1ccnc(C#N)n1)CC2)[NH+](C)C	ZINC001092701443	956093516	/nfs/dbraw/zinc/09/35/16/956093516.db2.gz	BEHZIGNOBQVZNB-QMTMVMCOSA-N	1	0	356.474	1.554	20	30		FDEDRO
CC[C@H](C(=O)NC[C@]12CCC[C@H]1N(c1cncc(C#N)n1)CC2)[NH+](C)C	ZINC001092702022	956095976	/nfs/dbraw/zinc/09/59/76/956095976.db2.gz	OOAZTJVZOHOSMK-GPMSIDNRSA-N	1	0	356.474	1.554	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C	ZINC001092690021	956199496	/nfs/dbraw/zinc/19/94/96/956199496.db2.gz	WXSCALXXKZSIQO-UIFIKXQLSA-N	1	0	364.493	1.840	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3cc(C)cc(C)n3)[C@H](C)C2)C1=O	ZINC001092757677	956288595	/nfs/dbraw/zinc/28/85/95/956288595.db2.gz	FSAQQGWGROENMB-SZVBFZGTSA-N	1	0	370.497	1.783	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@@H]1CCC(=O)NC1	ZINC001092759323	956294414	/nfs/dbraw/zinc/29/44/14/956294414.db2.gz	SOJXOCAVEJAUET-ZTFGCOKTSA-N	1	0	354.454	1.269	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)[C@@H]1CCC(=O)NC1	ZINC001092760898	956299867	/nfs/dbraw/zinc/29/98/67/956299867.db2.gz	SSEDVODHVGCNFD-MGPQQGTHSA-N	1	0	360.483	1.330	20	30		FDEDRO
C=C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1)c1ccccc1	ZINC001110136408	956370532	/nfs/dbraw/zinc/37/05/32/956370532.db2.gz	ATDYLQWGMAYXBX-YRXWBPOGSA-N	1	0	351.454	1.969	20	30		FDEDRO
COc1cnc(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2C)nc1	ZINC001092810226	956385834	/nfs/dbraw/zinc/38/58/34/956385834.db2.gz	NCZGDDWGECBVET-CHWSQXEVSA-N	1	0	371.466	1.916	20	30		FDEDRO
CCc1nc(C#N)cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[NH+](CC)CC)C3)n1	ZINC001092840912	956463903	/nfs/dbraw/zinc/46/39/03/956463903.db2.gz	PUXIBQFBSDLNOI-PMPSAXMXSA-N	1	0	356.474	1.478	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)NCCCn2ccnc2)ccc1Br	ZINC001197277800	972194467	/nfs/dbraw/zinc/19/44/67/972194467.db2.gz	PJBWNXVQFXAVLJ-UHFFFAOYSA-N	1	0	369.244	1.886	20	30		FDEDRO
CC[NH+](CC)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1)C(C)C	ZINC001092866571	956583265	/nfs/dbraw/zinc/58/32/65/956583265.db2.gz	LPMNOUJSLOKGAB-VUHPKUFZSA-N	1	0	370.501	1.941	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)c1c[nH]c(=O)cn1	ZINC001092920878	956790152	/nfs/dbraw/zinc/79/01/52/956790152.db2.gz	IJHYIKSKRLKVKI-IUODEOHRSA-N	1	0	369.400	1.279	20	30		FDEDRO
Cc1cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2([NH+](C)C)CCC2)C3)c(C#N)cn1	ZINC001092891096	956804554	/nfs/dbraw/zinc/80/45/54/956804554.db2.gz	FXWASNNTCLBETA-IKGGRYGDSA-N	1	0	353.470	1.972	20	30		FDEDRO
Cc1cc(C#N)nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2([NH+](C)C)CCC2)C3)n1	ZINC001092891095	956804921	/nfs/dbraw/zinc/80/49/21/956804921.db2.gz	FXHKHDHDKZIWOC-PMPSAXMXSA-N	1	0	354.458	1.367	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3ccc(Cl)[nH]3)[C@H](C)C2)C1=O	ZINC001092941770	956863682	/nfs/dbraw/zinc/86/36/82/956863682.db2.gz	UWLHILYMTIWYMU-UMVBOHGHSA-N	1	0	364.877	1.753	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1	ZINC000773135835	956896715	/nfs/dbraw/zinc/89/67/15/956896715.db2.gz	DJSKQTUMIRZIQY-INIZCTEOSA-N	1	0	373.453	1.110	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1C	ZINC001092981713	956986046	/nfs/dbraw/zinc/98/60/46/956986046.db2.gz	KQVARVGXSWMTRL-XLNTUCKNSA-N	1	0	358.482	1.954	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1)[NH+]1CCCC1	ZINC001092982513	956989289	/nfs/dbraw/zinc/98/92/89/956989289.db2.gz	VXMNAUZMVUTMGC-VXNCWWDNSA-N	1	0	368.485	1.695	20	30		FDEDRO
CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1)C(C)C	ZINC001092998961	957098640	/nfs/dbraw/zinc/09/86/40/957098640.db2.gz	DUAQDFXQTFPMBZ-VXIBKDFQSA-N	1	0	370.501	1.941	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccc(F)cc2F)C1	ZINC001197420779	972243239	/nfs/dbraw/zinc/24/32/39/972243239.db2.gz	ZYNOGSYNINHIRY-IAGOWNOFSA-N	1	0	354.397	1.261	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C)cc(C#N)n1	ZINC001093019125	957145156	/nfs/dbraw/zinc/14/51/56/957145156.db2.gz	VAYQXWHQNNFVEP-TWMKSMIVSA-N	1	0	374.464	1.563	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3cnc(C)nc3)C[C@H]2C)nn1	ZINC001093034791	957251732	/nfs/dbraw/zinc/25/17/32/957251732.db2.gz	DGZNXTXYKRLHRT-CZUORRHYSA-N	1	0	355.446	1.060	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(OC)cc3)C[C@H]2C)nn1	ZINC001093035181	957253012	/nfs/dbraw/zinc/25/30/12/957253012.db2.gz	QZRSOJRSMCSSCT-NVXWUHKLSA-N	1	0	369.469	1.971	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2cn(C[C@H]3CCOC3)nn2)[C@H](C)C1	ZINC001093089150	957512450	/nfs/dbraw/zinc/51/24/50/957512450.db2.gz	AHNJAAHRUJRQIK-BPLDGKMQSA-N	1	0	367.881	1.365	20	30		FDEDRO
CCn1cc(C(=O)NC[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2C)nn1	ZINC001093089878	957522610	/nfs/dbraw/zinc/52/26/10/957522610.db2.gz	IXSHTCWJBRXUPB-SJLPKXTDSA-N	1	0	351.454	1.647	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@@H]3CCN(CC=C)C3=O)C[C@H]2C)nc1	ZINC001093140514	957637386	/nfs/dbraw/zinc/63/73/86/957637386.db2.gz	CJXGJHASFIIEBR-SZVBFZGTSA-N	1	0	366.465	1.148	20	30		FDEDRO
C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@]2(CNc2cnc(C#N)cn2)C1	ZINC001093129659	957670823	/nfs/dbraw/zinc/67/08/23/957670823.db2.gz	IEHKNPBDHOXNGJ-KXBFYZLASA-N	1	0	356.474	1.731	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CCCC(=O)N1C	ZINC001093167823	957724639	/nfs/dbraw/zinc/72/46/39/957724639.db2.gz	DYMXKZDCLIISLN-MISYRCLQSA-N	1	0	367.493	1.733	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3nnc(C)n3C2)[C@H](C)C1	ZINC001093222192	957848681	/nfs/dbraw/zinc/84/86/81/957848681.db2.gz	JAKWCNRRHJMQMK-BYCMXARLSA-N	1	0	351.882	1.586	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(Cc3nncs3)C[C@H]2C)CC1	ZINC001093224302	957854612	/nfs/dbraw/zinc/85/46/12/957854612.db2.gz	PRBKPABHLYHZPU-GDBMZVCRSA-N	1	0	361.515	1.067	20	30		FDEDRO
CCn1nc(C)c(C(=O)NC[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)n1	ZINC001093257293	957887680	/nfs/dbraw/zinc/88/76/80/957887680.db2.gz	NPUQGLREGYCGRX-RDTXWAMCSA-N	1	0	366.469	1.976	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H](CNC(=O)c3nonc3C)[C@H](C)C2)cc1C#N	ZINC001093252525	957931701	/nfs/dbraw/zinc/93/17/01/957931701.db2.gz	NLNXGOQXMBREBS-MLGOLLRUSA-N	1	0	369.425	1.756	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3cccn3C)C[C@H]2C)C1=O	ZINC001093270684	957936678	/nfs/dbraw/zinc/93/66/78/957936678.db2.gz	BLOODLWBZMMMPG-BRWVUGGUSA-N	1	0	358.486	1.500	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3ccn(C)c3)C[C@H]2C)C1=O	ZINC001093273719	957942970	/nfs/dbraw/zinc/94/29/70/957942970.db2.gz	FLSKUJJRNZOCCY-JFIYKMOQSA-N	1	0	358.486	1.500	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1CC[NH2+][C@@H]1CCCN(C)C1=O	ZINC001093274482	957944870	/nfs/dbraw/zinc/94/48/70/957944870.db2.gz	PIVQUMBQRHSILB-IIAWOOMASA-N	1	0	357.458	1.195	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H]3CCN(CC)C3=O)C2)cc1	ZINC001093280813	957957100	/nfs/dbraw/zinc/95/71/00/957957100.db2.gz	LPTUUDTZOCJAIX-NSISKUIASA-N	1	0	367.493	1.977	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H]3CCNC3=O)C2)cc1	ZINC001093289466	957982247	/nfs/dbraw/zinc/98/22/47/957982247.db2.gz	ZOAKJQXUYNPJPM-SUMDDJOVSA-N	1	0	369.465	1.275	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCOC2(CCC([NH2+]CCO)CC2)C1	ZINC001093409645	958025771	/nfs/dbraw/zinc/02/57/71/958025771.db2.gz	WWAYLYIGYBYKSX-VIHIWDAPSA-N	1	0	352.475	1.090	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCC2(Nc3cncc(C#N)n3)CCCCC2)CC[N@@H+]1C	ZINC001093412088	958027813	/nfs/dbraw/zinc/02/78/13/958027813.db2.gz	NSMUUVYKZPKWPF-GDBMZVCRSA-N	1	0	356.474	1.919	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)n(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093432734	958058544	/nfs/dbraw/zinc/05/85/44/958058544.db2.gz	FEUDISJUANIWLH-MLYOOKFZSA-N	1	0	360.502	1.884	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccon3)[C@H]2C(C)C)C[C@H]1O	ZINC001093433328	958059646	/nfs/dbraw/zinc/05/96/46/958059646.db2.gz	CDDIOTOVYUBNID-XYVMCAHJSA-N	1	0	367.877	1.936	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3CCOCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093433307	958060040	/nfs/dbraw/zinc/06/00/40/958060040.db2.gz	BZDUESMSEOQKRB-JYBIWHBTSA-N	1	0	350.503	1.955	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)nn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093435721	958066011	/nfs/dbraw/zinc/06/60/11/958066011.db2.gz	VLDIMLICRVDGOW-UIXUWTQFSA-N	1	0	360.502	1.884	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cc[nH]n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093439400	958074498	/nfs/dbraw/zinc/07/44/98/958074498.db2.gz	MENOFMOEMRJOGR-XYVMCAHJSA-N	1	0	366.893	1.671	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)C#CC2CC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cccnc1)C2	ZINC001093442958	958082669	/nfs/dbraw/zinc/08/26/69/958082669.db2.gz	MNXCZRLNNKQSFF-UGESXGAOSA-N	1	0	367.493	1.961	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)C#CC2CC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1nccn1C)C2	ZINC001093443956	958087413	/nfs/dbraw/zinc/08/74/13/958087413.db2.gz	WZKJUMYODREEGE-SGLNWRHMSA-N	1	0	370.497	1.300	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(OCC)nc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093445221	958090859	/nfs/dbraw/zinc/09/08/59/958090859.db2.gz	BDBPKEZPROXSIA-ZJSJBZJDSA-N	1	0	371.481	1.693	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn4c(n3)CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093447543	958099751	/nfs/dbraw/zinc/09/97/51/958099751.db2.gz	XHZVGPUIPUOSRH-QSFMABPGSA-N	1	0	358.486	1.595	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3ccn(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093447963	958103103	/nfs/dbraw/zinc/10/31/03/958103103.db2.gz	BTEJWRDVUHQZIM-JYBIWHBTSA-N	1	0	360.502	1.505	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc4n(n3)CCO4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093448405	958107446	/nfs/dbraw/zinc/10/74/46/958107446.db2.gz	IXCJMQANGGFNGH-FXRXJOCMSA-N	1	0	360.458	1.041	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc4n[nH]cc4c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093451529	958132748	/nfs/dbraw/zinc/13/27/48/958132748.db2.gz	VFFVCLFWTOILBJ-WOCWXWTJSA-N	1	0	369.469	1.724	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cn(C)nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093451773	958135501	/nfs/dbraw/zinc/13/55/01/958135501.db2.gz	YAPBYELZLZYTAF-LFGUQSLTSA-N	1	0	360.502	1.423	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C)nc3OC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093459921	958186327	/nfs/dbraw/zinc/18/63/27/958186327.db2.gz	NOLUTVKEXVJDHI-NNFUDEMPSA-N	1	0	362.474	1.194	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc4nonc4c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093463071	958195115	/nfs/dbraw/zinc/19/51/15/958195115.db2.gz	SLHAGKKUZBSPQA-FTEYMNFISA-N	1	0	370.453	1.989	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093464937	958201736	/nfs/dbraw/zinc/20/17/36/958201736.db2.gz	DSUZNHGPEKJRMD-YFHUEUNASA-N	1	0	364.877	1.809	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3cc(C)on3)[C@H]2C(C)C)C[C@H]1O	ZINC001093464955	958202201	/nfs/dbraw/zinc/20/22/01/958202201.db2.gz	HITNRYXWNVUVBS-IZBJGVDFSA-N	1	0	359.470	1.515	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccc(CC)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093466808	958211049	/nfs/dbraw/zinc/21/10/49/958211049.db2.gz	PZQBRSLZHRSZSL-WKDRNLAYSA-N	1	0	369.509	1.786	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc4cccnn43)[C@H]2C(C)C)C[C@H]1O	ZINC001093466799	958211156	/nfs/dbraw/zinc/21/11/56/958211156.db2.gz	PYBSANDGPPCGRT-RBAQFSTRSA-N	1	0	366.465	1.547	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc4c(c3)CCO4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093468318	958218638	/nfs/dbraw/zinc/21/86/38/958218638.db2.gz	YZWFSZTUUAUVTF-DBQGFPOUSA-N	1	0	368.477	1.834	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(CC)CCOCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093470014	958226115	/nfs/dbraw/zinc/22/61/15/958226115.db2.gz	OUEFZXUUICNZKM-IKVWTGGYSA-N	1	0	362.514	1.793	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn4ccccc34)[C@H]2C(C)C)C[C@H]1O	ZINC001093470741	958230462	/nfs/dbraw/zinc/23/04/62/958230462.db2.gz	YYURSHFKKGSGLU-RDPOXOKHSA-N	1	0	366.465	1.547	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncccc3OC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093471510	958234731	/nfs/dbraw/zinc/23/47/31/958234731.db2.gz	FISMSMQUYRKMRQ-YZDADXEPSA-N	1	0	357.454	1.303	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc4nccn4c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093473726	958245397	/nfs/dbraw/zinc/24/53/97/958245397.db2.gz	RWDKITKDIOFSMJ-VGUOSERISA-N	1	0	366.465	1.547	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)nn(C)c3F)[C@H]2C(C)C)C[C@H]1O	ZINC001093474030	958246369	/nfs/dbraw/zinc/24/63/69/958246369.db2.gz	QLPIGZLCKOAFDT-ZLHSVIROSA-N	1	0	362.449	1.081	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(CC)c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093474334	958247576	/nfs/dbraw/zinc/24/75/76/958247576.db2.gz	UVNKZLCSDHJXQJ-SOAMZJECSA-N	1	0	358.486	1.424	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccn4nccc34)[C@H]2C(C)C)C[C@H]1O	ZINC001093453023	958262231	/nfs/dbraw/zinc/26/22/31/958262231.db2.gz	SEECAQIJCSFWTO-RDPOXOKHSA-N	1	0	366.465	1.547	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(C)c3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093453605	958262648	/nfs/dbraw/zinc/26/26/48/958262648.db2.gz	WXAUXWGBJZOQHU-DLVXIWMQSA-N	1	0	360.502	1.748	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncc(OC)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093457239	958279996	/nfs/dbraw/zinc/27/99/96/958279996.db2.gz	IYANQMIHPAQVKR-JEWRLFTDSA-N	1	0	360.458	1.251	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncc(C)cc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093459217	958288138	/nfs/dbraw/zinc/28/81/38/958288138.db2.gz	RZMBVRPRASXFFO-REHHDOPLSA-N	1	0	355.482	1.911	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3cscn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093478164	958292406	/nfs/dbraw/zinc/29/24/06/958292406.db2.gz	CENSDIGEHKSZOR-PSBWJHGTSA-N	1	0	361.511	1.675	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)n(C)c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093478551	958294905	/nfs/dbraw/zinc/29/49/05/958294905.db2.gz	RBMPNCGSUWMXLV-BNDYYXHWSA-N	1	0	357.498	1.855	20	30		FDEDRO
C=CCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001093487817	958310134	/nfs/dbraw/zinc/31/01/34/958310134.db2.gz	QNTANDMLTZZUSR-XMTFNYHQSA-N	1	0	362.474	1.367	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2nc(C)nc2C)C1	ZINC001197649316	972336470	/nfs/dbraw/zinc/33/64/70/972336470.db2.gz	BVMQXCBEJFONSY-QZTJIDSGSA-N	1	0	365.522	1.807	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093622812	958356474	/nfs/dbraw/zinc/35/64/74/958356474.db2.gz	AVEWLJQWCJUGRE-DNVCBOLYSA-N	1	0	350.422	1.690	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001093635038	958398782	/nfs/dbraw/zinc/39/87/82/958398782.db2.gz	JCWHTDABKFMPSF-RHSMWYFYSA-N	1	0	355.417	1.778	20	30		FDEDRO
C[NH+](C)CCCNC(=S)NN=C1CCC[C@@H]1NC(=O)OC(C)(C)C	ZINC000773206974	958455685	/nfs/dbraw/zinc/45/56/85/958455685.db2.gz	JNBZCOVSUABJOI-LBPRGKRZSA-N	1	0	357.524	1.835	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001093665626	958464917	/nfs/dbraw/zinc/46/49/17/958464917.db2.gz	OVHUVXKPVHAHMR-NVXWUHKLSA-N	1	0	367.453	1.820	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2cnn(-c3ccccc3)n2)[C@H](C)C1	ZINC001093672995	958514557	/nfs/dbraw/zinc/51/45/57/958514557.db2.gz	HRFHQGGPCLZMRL-BZUAXINKSA-N	1	0	352.442	1.611	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(S(C)(=O)=O)o2)[C@H](C)C1	ZINC001093677714	958530153	/nfs/dbraw/zinc/53/01/53/958530153.db2.gz	BYLMJGUEHKZVPB-YNEHKIRRSA-N	1	0	353.444	1.027	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)[C@H](C)C1	ZINC001093679717	958535227	/nfs/dbraw/zinc/53/52/27/958535227.db2.gz	YVDVOHISYFBLTR-HDMKZQKVSA-N	1	0	368.481	1.939	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1nnc(C2CC2)o1	ZINC001093699689	958565476	/nfs/dbraw/zinc/56/54/76/958565476.db2.gz	GSCPHOQKYXJUKC-BXUZGUMPSA-N	1	0	354.414	1.645	20	30		FDEDRO
CC(C)c1nnc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)[nH]1	ZINC001093699904	958567087	/nfs/dbraw/zinc/56/70/87/958567087.db2.gz	OSQLYAGVWTZBPB-TZMCWYRMSA-N	1	0	355.446	1.626	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093711595	958573565	/nfs/dbraw/zinc/57/35/65/958573565.db2.gz	KCEIQRRDPISPNP-FHLIZLRMSA-N	1	0	354.454	1.269	20	30		FDEDRO
COc1coc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)cc1=O	ZINC001093715642	958583871	/nfs/dbraw/zinc/58/38/71/958583871.db2.gz	KDGLVRSRSIGTLQ-CHWSQXEVSA-N	1	0	370.409	1.346	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]C[C@H]1CCNC(=O)CC1	ZINC001093722453	958598043	/nfs/dbraw/zinc/59/80/43/958598043.db2.gz	FGYFRUDIMDZCOA-RBSFLKMASA-N	1	0	357.458	1.100	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001093764667	958708022	/nfs/dbraw/zinc/70/80/22/958708022.db2.gz	DMHYFZDJQBROCZ-RHSMWYFYSA-N	1	0	369.444	1.858	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001093783038	958769529	/nfs/dbraw/zinc/76/95/29/958769529.db2.gz	XIXHHBRXHHGJEC-OCQZMCQHSA-N	1	0	369.465	1.810	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cc(OC)no2)[C@H](C)C1	ZINC001093778612	958874059	/nfs/dbraw/zinc/87/40/59/958874059.db2.gz	AHTTYGCASBTCRX-SRABZTEZSA-N	1	0	363.458	1.849	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnn(CC)n2)[C@H](C)C1	ZINC001093778925	958876277	/nfs/dbraw/zinc/87/62/77/958876277.db2.gz	PQUWPSIPNQJWHB-AHCXZYCDSA-N	1	0	361.490	1.463	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093819313	958882802	/nfs/dbraw/zinc/88/28/02/958882802.db2.gz	OINAUTGAVVEXIV-FHLIZLRMSA-N	1	0	354.454	1.269	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nnc(CC)n3C)[C@H](C)C2)cc1	ZINC001093956756	959347071	/nfs/dbraw/zinc/34/70/71/959347071.db2.gz	BIIWCWCAXMMBRJ-CRAIPNDOSA-N	1	0	365.481	1.857	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001093964313	959373558	/nfs/dbraw/zinc/37/35/58/959373558.db2.gz	RUCHCUSWUWEBNW-DAXOMENPSA-N	1	0	358.417	1.018	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3occ4c3CCC4)C[C@H]2C)C1=O	ZINC001093940502	959410828	/nfs/dbraw/zinc/41/08/28/959410828.db2.gz	OVWMAKITEHPYDI-KYJSFNMBSA-N	1	0	371.481	1.853	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3n[nH]cc3F)C[C@H]2C)cc1C#N	ZINC001094023399	959542863	/nfs/dbraw/zinc/54/28/63/959542863.db2.gz	XCBZKXWTYXBUFC-IUODEOHRSA-N	1	0	371.416	1.927	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]C[C@H]3CCS(=O)(=O)C3)[C@H](C)C2)C1	ZINC001094026233	959547598	/nfs/dbraw/zinc/54/75/98/959547598.db2.gz	ANGRSWJGCWUERD-BZUAXINKSA-N	1	0	354.516	1.462	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3nnc(C)s3)[C@H](C)C2)c1	ZINC001094027673	959548976	/nfs/dbraw/zinc/54/89/76/959548976.db2.gz	ANLHTDJBMFNBPO-MLGOLLRUSA-N	1	0	355.467	1.721	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)Cc2ccccc2C)C1	ZINC001197784678	972441208	/nfs/dbraw/zinc/44/12/08/972441208.db2.gz	ZYFSMXAGPKXOPS-DFQSSKMNSA-N	1	0	360.498	1.928	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001094044205	959611657	/nfs/dbraw/zinc/61/16/57/959611657.db2.gz	PPODCWFDOYZNMP-MPESAESLSA-N	1	0	358.417	1.003	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CC3=CCOCC3)C[C@H]2C)C1=O	ZINC001094018226	959665813	/nfs/dbraw/zinc/66/58/13/959665813.db2.gz	MCIIZBRKDPGZOI-KBAYOESNSA-N	1	0	361.486	1.194	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)Cc3cscn3)C[C@H]2C)C1=O	ZINC001094090433	959750715	/nfs/dbraw/zinc/75/07/15/959750715.db2.gz	OEHGKOMBZFZNHY-IIAWOOMASA-N	1	0	362.499	1.157	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ncc(C)s3)[C@H](C)C2)nn1	ZINC001094095188	959770627	/nfs/dbraw/zinc/77/06/27/959770627.db2.gz	IQRYLQFUVJNZLF-TZMCWYRMSA-N	1	0	360.487	1.727	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)c3ncccn3)[C@H](C)C2)nn1	ZINC001094095270	959771107	/nfs/dbraw/zinc/77/11/07/959771107.db2.gz	LFUZEDRZMULEQW-QLFBSQMISA-N	1	0	355.446	1.313	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+][C@H](C)c3ncccn3)[C@H](C)C2)nn1	ZINC001094100037	959784345	/nfs/dbraw/zinc/78/43/45/959784345.db2.gz	YPKBZEOKKPOXKZ-BZUAXINKSA-N	1	0	369.473	1.703	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ncccn2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001094125439	959829526	/nfs/dbraw/zinc/82/95/26/959829526.db2.gz	FMPXPCAFJOZYRD-CZUORRHYSA-N	1	0	353.401	1.985	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001094157118	959928230	/nfs/dbraw/zinc/92/82/30/959928230.db2.gz	UIRJHPCOEOKEHG-GDBMZVCRSA-N	1	0	368.441	1.134	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C(C3CC3)C3CC3)C[C@H]2C)C1=O	ZINC001094157189	959928551	/nfs/dbraw/zinc/92/85/51/959928551.db2.gz	YXEPESZQADEOAA-ZTFGCOKTSA-N	1	0	359.514	1.894	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nnc(CC)n3C)[C@H](C)C2)nc1	ZINC001094172725	959971308	/nfs/dbraw/zinc/97/13/08/959971308.db2.gz	XINXTNIJDRHSBU-GDBMZVCRSA-N	1	0	366.469	1.252	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]Cc2cncn2C)[C@H](C)C1	ZINC001094174119	959976027	/nfs/dbraw/zinc/97/60/27/959976027.db2.gz	TVWAYDAFVHUWTL-HZPDHXFCSA-N	1	0	367.453	1.325	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]Cc2ncnn2C)[C@H](C)C1	ZINC001094187924	960067814	/nfs/dbraw/zinc/06/78/14/960067814.db2.gz	AIMMXTVVLDJJDA-CRAIPNDOSA-N	1	0	351.454	1.223	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001094255292	960227787	/nfs/dbraw/zinc/22/77/87/960227787.db2.gz	BJLGJJCOCQCKSY-OLMNPRSZSA-N	1	0	369.469	1.285	20	30		FDEDRO
CCn1nc(C)c(C(=O)N2C[C@@H](C[NH2+]Cc3cccc(C#N)c3)[C@H](C)C2)n1	ZINC001094258195	960235055	/nfs/dbraw/zinc/23/50/55/960235055.db2.gz	GPXUCLGWTHWMBP-RDTXWAMCSA-N	1	0	366.469	1.976	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@@]3(CNC(=O)c4cc(C)n[nH]4)CCC[C@@H]23)C1=O	ZINC001094372059	960290331	/nfs/dbraw/zinc/29/03/31/960290331.db2.gz	NXNFUWHYMYHJCH-MBOZVWFJSA-N	1	0	371.485	1.479	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@]3(CNC(=O)c4cncnc4)CCC[C@@H]23)C1=O	ZINC001094400956	960355978	/nfs/dbraw/zinc/35/59/78/960355978.db2.gz	YHORUWDPCCAFSJ-MBOZVWFJSA-N	1	0	369.469	1.238	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)c3cn(CCOC)nn3)CCC[C@@H]12	ZINC001094413402	960400739	/nfs/dbraw/zinc/40/07/39/960400739.db2.gz	DSJJJQXQDPNKAM-IEBWSBKVSA-N	1	0	361.490	1.865	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(OCC(N)=O)c3)CCC[C@@H]12	ZINC001094428207	960431879	/nfs/dbraw/zinc/43/18/79/960431879.db2.gz	YRMUYDNFRMYKPH-YLJYHZDGSA-N	1	0	355.438	1.158	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4ncncc4C3)CCC[C@@H]12	ZINC001094433859	960447750	/nfs/dbraw/zinc/44/77/50/960447750.db2.gz	GSSYZXMPAWEZCZ-OZOXKJRCSA-N	1	0	352.482	1.966	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3c(C)c(C)nn(C)c3=O)CCC[C@@H]12	ZINC001094484855	960570734	/nfs/dbraw/zinc/57/07/34/960570734.db2.gz	BCNNLHQQVGOJRP-OXQOHEQNSA-N	1	0	356.470	1.395	20	30		FDEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)Cc1ccc(F)c(C#N)c1)CC2	ZINC001181182723	960640501	/nfs/dbraw/zinc/64/05/01/960640501.db2.gz	QRUAPQNPBXHEFX-UHFFFAOYSA-N	1	0	372.444	1.443	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccnc4c3ncn4C)CCC[C@@H]12	ZINC001094508465	960685059	/nfs/dbraw/zinc/68/50/59/960685059.db2.gz	YPTHWIQOXBWGFQ-OXQOHEQNSA-N	1	0	351.454	1.966	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4nnnn4CC3)CCC[C@@H]12	ZINC001094518440	960713543	/nfs/dbraw/zinc/71/35/43/960713543.db2.gz	FNDKYLCSLGQOJZ-FRQCXROJSA-N	1	0	356.474	1.010	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3nnn(C)c3C(F)(F)F)CCC[C@@H]12	ZINC001094532543	960743634	/nfs/dbraw/zinc/74/36/34/960743634.db2.gz	ATGYOEVMXRKPQV-MLGOLLRUSA-N	1	0	369.391	1.832	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccnc4nc(C)nn43)CCC[C@@H]12	ZINC001094559731	960809063	/nfs/dbraw/zinc/80/90/63/960809063.db2.gz	GUZZBSPTSCMRNY-VQIMIIECSA-N	1	0	352.442	1.430	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@@]3(CNC(=O)c4ccn(C)n4)CCC[C@@H]23)C1=O	ZINC001094579152	960871058	/nfs/dbraw/zinc/87/10/58/960871058.db2.gz	WPMCUANQRZIYAP-MBOZVWFJSA-N	1	0	371.485	1.181	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2N(Cc2ccon2)CC3)CC1	ZINC001094582804	960884452	/nfs/dbraw/zinc/88/44/52/960884452.db2.gz	XXCJVUOFOMYDIF-TZIWHRDSSA-N	1	0	370.497	1.881	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4nncn4C3)CCC[C@@H]12	ZINC001094584679	960948427	/nfs/dbraw/zinc/94/84/27/960948427.db2.gz	CYZFIHCBXPFIST-HDMKZQKVSA-N	1	0	363.893	1.954	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)CC1	ZINC001181769041	961090847	/nfs/dbraw/zinc/09/08/47/961090847.db2.gz	FJZFJSKHUVDSOT-HZPDHXFCSA-N	1	0	367.465	1.795	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCC(C)(C)C)C2)C1	ZINC001094788337	961166022	/nfs/dbraw/zinc/16/60/22/961166022.db2.gz	QIMCBRZGHAZZSS-UAGQMJEPSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CC3CC3)C2)C1	ZINC001094791835	961174578	/nfs/dbraw/zinc/17/45/78/961174578.db2.gz	JAXFBVAVMJMNKG-AYBZRNKSSA-N	1	0	361.486	1.169	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C[C@H]1C#N	ZINC001172976441	961859557	/nfs/dbraw/zinc/85/95/57/961859557.db2.gz	PRVXWSZNCXICIM-RDBSUJKOSA-N	1	0	357.476	1.302	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C[C@H]1C#N	ZINC001172976439	961860764	/nfs/dbraw/zinc/86/07/64/961860764.db2.gz	PRVXWSZNCXICIM-MCIONIFRSA-N	1	0	357.476	1.302	20	30		FDEDRO
CCOC(=O)CN(CC[NH3+])[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1	ZINC001172985452	961867986	/nfs/dbraw/zinc/86/79/86/961867986.db2.gz	OXINDDWPPSFZSC-KGLIPLIRSA-N	1	0	354.451	1.102	20	30		FDEDRO
COC[C@]12COC[C@H]1C[N@@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C2	ZINC001172986116	961868119	/nfs/dbraw/zinc/86/81/19/961868119.db2.gz	UPZSXMHGEIVRBW-OAFZBRQQSA-N	1	0	365.474	1.873	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H](N2CC[NH+](CC(C)(C)O)CC2)C[C@H]1C#N	ZINC001172993311	961902576	/nfs/dbraw/zinc/90/25/76/961902576.db2.gz	MFTCLGIVNNDLPA-CVEARBPZSA-N	1	0	366.506	1.667	20	30		FDEDRO
Cn1ccnc1C(=O)N[C@@H]1C[N@@H+](C2CCC(CC#N)CC2)[C@@H]2CCCO[C@H]12	ZINC001173334942	962009378	/nfs/dbraw/zinc/00/93/78/962009378.db2.gz	AWSIXRCFMXGJMJ-NHHFINERSA-N	1	0	371.485	1.854	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)C1	ZINC001173362853	962055211	/nfs/dbraw/zinc/05/52/11/962055211.db2.gz	HEGZJFGVUWKSQA-CTNGQTDRSA-N	1	0	369.513	1.966	20	30		FDEDRO
CN(C(=O)CC[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1)C1CC1	ZINC001173420870	962091560	/nfs/dbraw/zinc/09/15/60/962091560.db2.gz	HVNJYCWIFIDWJY-UHFFFAOYSA-N	1	0	354.454	1.763	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+][C@H]3CCN(C4COC4)C3)CC2)cc1	ZINC001173424690	962127735	/nfs/dbraw/zinc/12/77/35/962127735.db2.gz	DTXQAOXOHSBMAZ-SFHVURJKSA-N	1	0	354.454	1.226	20	30		FDEDRO
CS(=O)(=O)[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1	ZINC001173425689	962133632	/nfs/dbraw/zinc/13/36/32/962133632.db2.gz	HNNZFBQTJUVGIP-CALCHBBNSA-N	1	0	361.467	1.328	20	30		FDEDRO
CNC(=O)N1CCC([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1	ZINC001173426551	962136160	/nfs/dbraw/zinc/13/61/60/962136160.db2.gz	BFKOKDGXJQVXCH-UHFFFAOYSA-N	1	0	369.469	1.556	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+]C[C@@H](O)c3ccccn3)CC2)cc1	ZINC001173427373	962139472	/nfs/dbraw/zinc/13/94/72/962139472.db2.gz	SONOJPJVWBVAOJ-LJQANCHMSA-N	1	0	350.422	1.881	20	30		FDEDRO
C=CCN1CCC[C@H]([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1=O	ZINC001173428557	962143224	/nfs/dbraw/zinc/14/32/24/962143224.db2.gz	QVVCNOAQDVBKHT-IBGZPJMESA-N	1	0	366.465	1.929	20	30		FDEDRO
CC(C)(CNN=Cc1ccc(OCC[NH+]2CCCC2)cc1)S(C)(=O)=O	ZINC000774483815	962234798	/nfs/dbraw/zinc/23/47/98/962234798.db2.gz	RUCRIKURQUODMQ-UHFFFAOYSA-N	1	0	367.515	1.908	20	30		FDEDRO
N#Cc1cccc2[nH]cc(CC(=O)N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c21	ZINC001182581936	962320986	/nfs/dbraw/zinc/32/09/86/962320986.db2.gz	XMUZOHWIECWCOE-HDICACEKSA-N	1	0	364.449	1.904	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)N2CCCC2)C1	ZINC001182669111	962379816	/nfs/dbraw/zinc/37/98/16/962379816.db2.gz	GNUQMAMQQQNEDL-PDOICOKGSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2cc(C)on2)C1	ZINC001182670592	962382189	/nfs/dbraw/zinc/38/21/89/962382189.db2.gz	RZCUAFKWBKAIKG-KFWWJZLASA-N	1	0	362.430	1.093	20	30		FDEDRO
COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCN(O)C2=O)c(OC)c1	ZINC001182674229	962385293	/nfs/dbraw/zinc/38/52/93/962385293.db2.gz	DIWCHZQFBXTDFD-SMDDNHRTSA-N	1	0	351.403	1.391	20	30		FDEDRO
CC1(C#N)CCC(N(Cc2cnc3n2CC[NH2+]CC3)S(C)(=O)=O)CC1	ZINC001173595391	962471203	/nfs/dbraw/zinc/47/12/03/962471203.db2.gz	XTTUBKHBBCHXFP-UHFFFAOYSA-N	1	0	365.503	1.263	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NC2CC2)C1	ZINC001182870028	962614901	/nfs/dbraw/zinc/61/49/01/962614901.db2.gz	ZQVJPWWOGQBQGR-VKSDOSABSA-N	1	0	363.502	1.320	20	30		FDEDRO
C=CCOCc1nn(C)c2c1C[N@H+]([C@H]1CCC[C@@H](n3ncnn3)C1)CC2	ZINC001173755792	962631350	/nfs/dbraw/zinc/63/13/50/962631350.db2.gz	WIXFYUSYYMKGLT-LSDHHAIUSA-N	1	0	357.462	1.651	20	30		FDEDRO
C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1[C@@H]1CCC[C@H](n2ncnn2)C1	ZINC001173763395	962652979	/nfs/dbraw/zinc/65/29/79/962652979.db2.gz	RCVRJIROZCUPGC-HLLBOEOZSA-N	1	0	357.462	1.692	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1	ZINC001183043003	962754815	/nfs/dbraw/zinc/75/48/15/962754815.db2.gz	JHJQYNAJWZVOHI-HXUWFJFHSA-N	1	0	369.469	1.474	20	30		FDEDRO
Cc1nc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(C#N)c[nH]2)C3)n1	ZINC001095282929	962765102	/nfs/dbraw/zinc/76/51/02/962765102.db2.gz	DFIOVASDDQJPQD-VYDXJSESSA-N	1	0	353.430	1.130	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)C3)cc1	ZINC001095291712	962785699	/nfs/dbraw/zinc/78/56/99/962785699.db2.gz	KBPKYDTZIGTILU-BDXSIMOUSA-N	1	0	352.438	1.306	20	30		FDEDRO
C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1	ZINC001175237685	963104788	/nfs/dbraw/zinc/10/47/88/963104788.db2.gz	RLKHDOOGQLXFGC-BBWFWOEESA-N	1	0	353.507	1.853	20	30		FDEDRO
C[C@@](CO)([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1cccc([N+](=O)[O-])c1	ZINC001175323809	963148250	/nfs/dbraw/zinc/14/82/50/963148250.db2.gz	PZLVVRIFSJDYOA-SJORKVTESA-N	1	0	363.414	1.463	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1nc(CC)no1	ZINC001175364971	963169751	/nfs/dbraw/zinc/16/97/51/963169751.db2.gz	GILLTAYXPPUAQA-KFWWJZLASA-N	1	0	350.463	1.988	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=O)NCC	ZINC001175630979	963243546	/nfs/dbraw/zinc/24/35/46/963243546.db2.gz	VVYJTAHXUPKKLW-RYRKJORJSA-N	1	0	353.507	1.758	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCN1CCNC1=O	ZINC001175663438	963259980	/nfs/dbraw/zinc/25/99/80/963259980.db2.gz	CXWCLENIRLBBSF-ULQDDVLXSA-N	1	0	366.506	1.257	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1	ZINC001175984155	963338295	/nfs/dbraw/zinc/33/82/95/963338295.db2.gz	RPOGTVGJLAYKTP-HNAYVOBHSA-N	1	0	364.490	1.937	20	30		FDEDRO
C#C[C@H](NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)[C@@H]1CCCO1	ZINC000773551329	963386861	/nfs/dbraw/zinc/38/68/61/963386861.db2.gz	ZVFUXPQFSQEVGB-OALUTQOASA-N	1	0	363.502	1.701	20	30		FDEDRO
C#C[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)[C@@H]1CCCO1	ZINC000773557221	963392385	/nfs/dbraw/zinc/39/23/85/963392385.db2.gz	FFPYNGMUCMIIHO-MSOLQXFVSA-N	1	0	362.518	1.417	20	30		FDEDRO
C#C[C@H](NC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1)[C@@H]1CCCO1	ZINC000773561276	963403562	/nfs/dbraw/zinc/40/35/62/963403562.db2.gz	UPXRGMBCAZCGLU-OALUTQOASA-N	1	0	362.518	1.367	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc(-n3cncn3)c1)C2	ZINC001110196200	963472578	/nfs/dbraw/zinc/47/25/78/963472578.db2.gz	YUSQRODXEIHEQB-IKGGRYGDSA-N	1	0	368.441	1.200	20	30		FDEDRO
CCCC#CC(=O)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O	ZINC001184270688	963497398	/nfs/dbraw/zinc/49/73/98/963497398.db2.gz	YQDFJQPHWVVRIO-UHFFFAOYSA-N	1	0	361.467	1.636	20	30		FDEDRO
C#Cc1cccc(NC(=O)NC(=O)C[NH2+][C@H]2CCOC23CCOCC3)c1	ZINC001176832762	963563918	/nfs/dbraw/zinc/56/39/18/963563918.db2.gz	HWOGZCKQWVFSJX-INIZCTEOSA-N	1	0	357.410	1.244	20	30		FDEDRO
Cc1nc(C)n(CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)n1	ZINC001176907997	963610961	/nfs/dbraw/zinc/61/09/61/963610961.db2.gz	LUKSUUDYNMJMNJ-UHFFFAOYSA-N	1	0	352.442	1.570	20	30		FDEDRO
C=CC[C@H](CO)C[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl	ZINC000774828613	963801535	/nfs/dbraw/zinc/80/15/35/963801535.db2.gz	WGEWGQQORHDRKT-QWHCGFSZSA-N	1	0	361.895	1.479	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CCC[NH2+]C[C@H](O)COC)CC1CCCC1	ZINC001177423567	963825196	/nfs/dbraw/zinc/82/51/96/963825196.db2.gz	DEUATSQFKVGTMO-OTWHNJEPSA-N	1	0	368.518	1.583	20	30		FDEDRO
O=C(C#Cc1cccnc1)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12	ZINC001177777714	963949927	/nfs/dbraw/zinc/94/99/27/963949927.db2.gz	SFVMULSJBPTRLQ-UEXGIBASSA-N	1	0	362.433	1.628	20	30		FDEDRO
[NH3+]C1(C(=O)NCc2ccccc2)CCN(C(=O)C#Cc2cccnc2)CC1	ZINC001177780057	963969437	/nfs/dbraw/zinc/96/94/37/963969437.db2.gz	MUIJGWUDCIFDRN-UHFFFAOYSA-N	1	0	362.433	1.069	20	30		FDEDRO
O=C(C#Cc1ccccn1)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1	ZINC001177801022	963974897	/nfs/dbraw/zinc/97/48/97/963974897.db2.gz	OAZSTXFADVHXTH-UZLBHIALSA-N	1	0	366.396	1.521	20	30		FDEDRO
C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H](C#N)Cc2cccs2)C1	ZINC001177907871	964017667	/nfs/dbraw/zinc/01/76/67/964017667.db2.gz	GGXBGHHCNVKZCJ-LSDHHAIUSA-N	1	0	357.483	1.847	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCCO1	ZINC000774962844	964231855	/nfs/dbraw/zinc/23/18/55/964231855.db2.gz	JYVXRTWEEBUPOH-IPMKNSEASA-N	1	0	369.465	1.237	20	30		FDEDRO
C#CCC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]3CCO[C@H]3CC)C2)nn1	ZINC001185974077	964243828	/nfs/dbraw/zinc/24/38/28/964243828.db2.gz	IAZCDLINRMZFCA-KSZLIROESA-N	1	0	359.474	1.370	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCCCCCC[NH2+][C@@H]1CCN(CC)C1=O	ZINC001178513284	964263696	/nfs/dbraw/zinc/26/36/96/964263696.db2.gz	DKVSZFZCCNQBBZ-KURKYZTESA-N	1	0	365.518	1.855	20	30		FDEDRO
CC(C)[C@@H]1OCCC[C@@H]1C(=O)NCCCCCC[NH2+]CC(=O)NCC#N	ZINC001178513570	964265243	/nfs/dbraw/zinc/26/52/43/964265243.db2.gz	URNUPLINMJDYMP-WMZOPIPTSA-N	1	0	366.506	1.344	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CNC(N)=O)C1	ZINC001186172106	964356477	/nfs/dbraw/zinc/35/64/77/964356477.db2.gz	PMWQWLVOIJIPTJ-NVXWUHKLSA-N	1	0	360.433	1.039	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(CC)CC)C1	ZINC001186250706	964358046	/nfs/dbraw/zinc/35/80/46/964358046.db2.gz	VPPRZTWOIXYFOY-RYRKJORJSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC(CC)CC)[C@@H]1C	ZINC001178726010	964363799	/nfs/dbraw/zinc/36/37/99/964363799.db2.gz	VEMCQOKGUMERPC-RANZSIQMSA-N	1	0	365.518	1.851	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCc2ccccc2)C1	ZINC001186243271	964370606	/nfs/dbraw/zinc/37/06/06/964370606.db2.gz	BSAVWSUPRHIELH-HBFSDRIKSA-N	1	0	371.481	1.475	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C(C)C)C(C)C)C1	ZINC001186243654	964371020	/nfs/dbraw/zinc/37/10/20/964371020.db2.gz	NFJDHPCCSZRKEI-AOIWGVFYSA-N	1	0	365.518	1.804	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1ccsc1	ZINC001178823026	964477074	/nfs/dbraw/zinc/47/70/74/964477074.db2.gz	JOQZFPFIOOILBH-DLBZAZTESA-N	1	0	361.511	1.867	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](C[NH2+]CC#CC)C2(C1)CCOCC2	ZINC001186373771	964481773	/nfs/dbraw/zinc/48/17/73/964481773.db2.gz	NIZYILIBCPODNU-OTWHNJEPSA-N	1	0	360.498	1.836	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)CC12CCOCC2	ZINC001186504110	964531046	/nfs/dbraw/zinc/53/10/46/964531046.db2.gz	LUKXKUIBIDJRCE-BRWVUGGUSA-N	1	0	358.486	1.554	20	30		FDEDRO
CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)CC12CCOCC2	ZINC001186505029	964532705	/nfs/dbraw/zinc/53/27/05/964532705.db2.gz	OXSQXFJPGUHOLD-RCCFBDPRSA-N	1	0	370.497	1.392	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[C@@H]1CCCO1	ZINC000773801000	964728567	/nfs/dbraw/zinc/72/85/67/964728567.db2.gz	ZBFWCZCGDDSYGG-MSOLQXFVSA-N	1	0	373.453	1.253	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@]2(C)c2ccccc2)[C@H]1C	ZINC001179179274	964743672	/nfs/dbraw/zinc/74/36/72/964743672.db2.gz	OWNWEPXGKONLQM-QUJKESNLSA-N	1	0	353.466	1.293	20	30		FDEDRO
N#CCSCC(=O)N1CC[C@H]2C[N@@H+](CCOc3cccc(F)c3)C[C@H]21	ZINC001186939561	964852778	/nfs/dbraw/zinc/85/27/78/964852778.db2.gz	FFIRJYWURIHCEO-WMLDXEAASA-N	1	0	363.458	1.994	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N(CC)CC(=C)C)[C@@H]1C	ZINC001179565668	964901349	/nfs/dbraw/zinc/90/13/49/964901349.db2.gz	NAWSGWMWCHLHEA-MHORFTMASA-N	1	0	363.502	1.581	20	30		FDEDRO
N#C[C@H]1C[C@H]1C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC001186976108	964919734	/nfs/dbraw/zinc/91/97/34/964919734.db2.gz	UGEDOKPJUFKASV-SFFUCWETSA-N	1	0	354.458	1.139	20	30		FDEDRO
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)n1ccc([C@H]2CCC[NH2+]2)nc1=N	ZINC001179584272	964932143	/nfs/dbraw/zinc/93/21/43/964932143.db2.gz	YLCAZZXNDGFQGO-OCCSQVGLSA-N	1	0	359.430	1.344	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1cccnc1	ZINC001179657940	964936472	/nfs/dbraw/zinc/93/64/72/964936472.db2.gz	FJRJIYPRVKABQQ-ZWKOTPCHSA-N	1	0	358.486	1.754	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+][C@H](C)C(=O)NCCC	ZINC001179637917	964942206	/nfs/dbraw/zinc/94/22/06/964942206.db2.gz	FCCYVZURVCRNOJ-ZACQAIPSSA-N	1	0	353.507	1.758	20	30		FDEDRO
Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C	ZINC001179695040	964946264	/nfs/dbraw/zinc/94/62/64/964946264.db2.gz	HFWRNUADGNFGON-OWLYRPNTSA-N	1	0	354.454	1.317	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1CCCO[C@H]1C(=C)C	ZINC001179781058	964975774	/nfs/dbraw/zinc/97/57/74/964975774.db2.gz	HDMMONQIIXPVIG-HKUYNNGSSA-N	1	0	365.518	1.926	20	30		FDEDRO
CCOCCS(=O)(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C#N)c1	ZINC001187283220	965162525	/nfs/dbraw/zinc/16/25/25/965162525.db2.gz	CZAHUSRRDXAEMF-UHFFFAOYSA-N	1	0	352.460	1.088	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@H]2C[N@H+](CCOC[C@H]3CCCO3)C[C@H]21	ZINC001187473356	965388170	/nfs/dbraw/zinc/38/81/70/965388170.db2.gz	ZEMIUQXCIWXYCH-IPMKNSEASA-N	1	0	366.502	1.698	20	30		FDEDRO
C#CCCCCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]21	ZINC001187605326	965553335	/nfs/dbraw/zinc/55/33/35/965553335.db2.gz	DTUFTQYJFAZHAV-GBESFXJTSA-N	1	0	350.503	1.746	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](OC)c3ccccc3)C[C@H]21	ZINC001187605589	965555437	/nfs/dbraw/zinc/55/54/37/965555437.db2.gz	MGVJCQZKMXZJSB-IPMKNSEASA-N	1	0	369.465	1.046	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(CCOC)c3C)[C@@H]2C1	ZINC001187904680	965848925	/nfs/dbraw/zinc/84/89/25/965848925.db2.gz	XTZRWWXMWBIKBN-FUHWJXTLSA-N	1	0	362.474	1.187	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)c3coc(S(C)(=O)=O)c3)[C@@H]2C1	ZINC001187971307	965933417	/nfs/dbraw/zinc/93/34/17/965933417.db2.gz	HLBBFKVBEMOIET-DZGCQCFKSA-N	1	0	352.456	1.796	20	30		FDEDRO
CCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001187990695	965945261	/nfs/dbraw/zinc/94/52/61/965945261.db2.gz	FIOWOZBUSOITSR-JCGIZDLHSA-N	1	0	354.454	1.506	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CC[C@H]2CN(C[C@@H](C)CS(C)(=O)=O)C[C@H]21	ZINC001188063314	965986733	/nfs/dbraw/zinc/98/67/33/965986733.db2.gz	IHKOJZWLDYUPJZ-OWCLPIDISA-N	1	0	356.532	1.802	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(CC(C)C)C3)[C@@H]2C1	ZINC001188096052	966007431	/nfs/dbraw/zinc/00/74/31/966007431.db2.gz	XVDFCWLLCLXIQV-RCCFBDPRSA-N	1	0	363.502	1.226	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3nnc(-c4ccco4)n3)[C@@H]2C1	ZINC001188413403	966308685	/nfs/dbraw/zinc/30/86/85/966308685.db2.gz	LQMYBPMEIVVOPY-LSDHHAIUSA-N	1	0	356.430	1.432	20	30		FDEDRO
C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ccnc(C4CC4)c3)[C@@H]2C1	ZINC001188455577	966326968	/nfs/dbraw/zinc/32/69/68/966326968.db2.gz	ABWHOCSMQHGMIN-FUHWJXTLSA-N	1	0	354.454	1.408	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ncc4cccnc43)[C@@H]2C1	ZINC001188611422	966425397	/nfs/dbraw/zinc/42/53/97/966425397.db2.gz	ZHNNRXNFBOPKDY-DLBZAZTESA-N	1	0	355.442	1.167	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CCC)S(N)(=O)=O)[C@@H]2C1	ZINC001188663703	966464950	/nfs/dbraw/zinc/46/49/50/966464950.db2.gz	AXQIVBRJNZHRDP-GVDBMIGSSA-N	1	0	371.547	1.723	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)cc1	ZINC001188729219	966541055	/nfs/dbraw/zinc/54/10/55/966541055.db2.gz	XMYPQBKGVBNYSY-UHFFFAOYSA-N	1	0	363.465	1.268	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CCNC(=O)C4CC4)C[C@H]32)cc1	ZINC001188743966	966552928	/nfs/dbraw/zinc/55/29/28/966552928.db2.gz	FYPXNKXDDJNCBZ-RBUKOAKNSA-N	1	0	351.450	1.340	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cccc(C)c3)[C@@H]2C1	ZINC001188991387	966689671	/nfs/dbraw/zinc/68/96/71/966689671.db2.gz	CWEKWELCZWJZNO-YTQUADARSA-N	1	0	353.466	1.208	20	30		FDEDRO
CC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001189194574	966815829	/nfs/dbraw/zinc/81/58/29/966815829.db2.gz	HXPWMRVZYGTPMZ-IPMKNSEASA-N	1	0	354.454	1.506	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c(=O)[nH]c4ccccc43)[C@@H]2C1	ZINC001189245883	966851707	/nfs/dbraw/zinc/85/17/07/966851707.db2.gz	GYAVHSOUMVEWSX-MAUKXSAKSA-N	1	0	370.453	1.477	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCC3CCOCC3)[C@@H]2C1	ZINC001189309968	966902511	/nfs/dbraw/zinc/90/25/11/966902511.db2.gz	CTFRSEKQVGWMQL-RYQLBKOJSA-N	1	0	363.502	1.417	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3csc(C4CC4)n3)[C@@H]2C1	ZINC001189324016	966911836	/nfs/dbraw/zinc/91/18/36/966911836.db2.gz	FGNINGAYEMFDQT-DOTOQJQBSA-N	1	0	359.495	1.746	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCC(=O)NC3CCCC3)[C@@H]2C1	ZINC001189536992	967057438	/nfs/dbraw/zinc/05/74/38/967057438.db2.gz	ACQSNJGHRLRJEJ-FUHWJXTLSA-N	1	0	361.486	1.008	20	30		FDEDRO
C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cccc4ccncc43)[C@@H]2C1	ZINC001189604791	967072357	/nfs/dbraw/zinc/07/23/57/967072357.db2.gz	DVLLOJLAMLEMDJ-QFBILLFUSA-N	1	0	364.449	1.683	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](C[N@@H+]1CC[C@@](O)(CC#N)C1)O2	ZINC000852206045	967097305	/nfs/dbraw/zinc/09/73/05/967097305.db2.gz	XJSMMSCOLSMFFQ-YOEHRIQHSA-N	1	0	351.447	1.505	20	30		FDEDRO
CNS(=O)(=O)c1ccc(C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)cc1	ZINC000852211975	967103863	/nfs/dbraw/zinc/10/38/63/967103863.db2.gz	YFFDIRAYVLPMEZ-GOSISDBHSA-N	1	0	359.451	1.632	20	30		FDEDRO
C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cc(C(C)C)oc3C)[C@@H]2C1	ZINC001189605782	967108741	/nfs/dbraw/zinc/10/87/41/967108741.db2.gz	XZCXGVKZANDUJE-DOTOQJQBSA-N	1	0	357.454	1.607	20	30		FDEDRO
C#C[C@@H](NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCCO1	ZINC000775327684	967309140	/nfs/dbraw/zinc/30/91/40/967309140.db2.gz	JCQGFUSKKRXTCS-UXHICEINSA-N	1	0	355.482	1.886	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852455261	967333784	/nfs/dbraw/zinc/33/37/84/967333784.db2.gz	RZGMLPVBRLJFOB-AAEUAGOBSA-N	1	0	353.344	1.234	20	30		FDEDRO
C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3coc4ccc(F)cc34)[C@@H]2C1	ZINC001189969949	967424882	/nfs/dbraw/zinc/42/48/82/967424882.db2.gz	QXXHXWBXOJOKOU-SUMWQHHRSA-N	1	0	369.396	1.468	20	30		FDEDRO
N#Cc1cccc(C2([NH2+]C[C@@](O)(C(N)=O)c3ccccc3)CCOCC2)c1	ZINC000852563911	967428493	/nfs/dbraw/zinc/42/84/93/967428493.db2.gz	VRXGVLBLOHAOFN-NRFANRHFSA-N	1	0	365.433	1.527	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c(cn3)OCCC4)[C@@H]2C1	ZINC001189961395	967454971	/nfs/dbraw/zinc/45/49/71/967454971.db2.gz	AOVTWSFCYDTMEX-FUHWJXTLSA-N	1	0	357.454	1.756	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](O)Cn2cccn2)CCC1	ZINC001110653982	967472518	/nfs/dbraw/zinc/47/25/18/967472518.db2.gz	KKCZVMSSLDSWFE-TVFCKZIOSA-N	1	0	356.470	1.159	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c(=O)oc4ccccc43)[C@@H]2C1	ZINC001190116581	967575309	/nfs/dbraw/zinc/57/53/09/967575309.db2.gz	YCIYLUKYCPVPEL-DOTOQJQBSA-N	1	0	371.437	1.330	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1	ZINC000852808575	967622068	/nfs/dbraw/zinc/62/20/68/967622068.db2.gz	CHQOXPCLRISBAX-UHFFFAOYSA-N	1	0	359.857	1.627	20	30		FDEDRO
C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)c1ccc(OCC(=O)NC2CC2)cc1	ZINC000852813120	967626241	/nfs/dbraw/zinc/62/62/41/967626241.db2.gz	BZNGTEPAVHKHIH-OAHLLOKOSA-N	1	0	369.465	1.524	20	30		FDEDRO
Cc1ccccc1C(=O)NC1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1	ZINC000852813932	967626566	/nfs/dbraw/zinc/62/65/66/967626566.db2.gz	JELLLLOZIKARTL-UHFFFAOYSA-N	1	0	353.466	1.719	20	30		FDEDRO
COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)C#CC2CC[NH2+]CC2)cc1	ZINC000852817056	967630133	/nfs/dbraw/zinc/63/01/33/967630133.db2.gz	NWIOTVSERHBAOX-SFHVURJKSA-N	1	0	355.438	1.628	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]2C[C@H]([NH3+])C2)c1	ZINC000852817317	967630222	/nfs/dbraw/zinc/63/02/22/967630222.db2.gz	ACYNNMZFSBMNQZ-IOSNZPHXSA-N	1	0	350.444	1.175	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOC[C@@H]2CCCCO2)c1	ZINC001110423485	967634314	/nfs/dbraw/zinc/63/43/14/967634314.db2.gz	OYLYLCMUQDISMV-NTDBWNAOSA-N	1	0	372.469	1.807	20	30		FDEDRO
COC(=O)CCCOc1ccc(CNC(=O)C#CC2CC[NH2+]CC2)cc1	ZINC000852839568	967648571	/nfs/dbraw/zinc/64/85/71/967648571.db2.gz	ANECHPVOXAONRD-UHFFFAOYSA-N	1	0	358.438	1.638	20	30		FDEDRO
CC[C@H]1Oc2cc([C@H](C)NC(=O)C#CC3CC[NH2+]CC3)ccc2NC1=O	ZINC000852848313	967654275	/nfs/dbraw/zinc/65/42/75/967654275.db2.gz	GYNPNTMPPPQXSK-SUMWQHHRSA-N	1	0	355.438	1.976	20	30		FDEDRO
C=C[C@@H](CC(=O)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21)c1ccccc1	ZINC001190305117	967719488	/nfs/dbraw/zinc/71/94/88/967719488.db2.gz	HLADCOJMUYQVBU-YSIASYRMSA-N	1	0	358.482	1.888	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc4oc(C)nc43)[C@@H]2C1	ZINC001190400645	967795701	/nfs/dbraw/zinc/79/57/01/967795701.db2.gz	CIFDYBZPWSGOTF-DOTOQJQBSA-N	1	0	353.422	1.932	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]21	ZINC001190439607	967850312	/nfs/dbraw/zinc/85/03/12/967850312.db2.gz	BCNCCWKXVMBKQW-RCCFBDPRSA-N	1	0	354.491	1.145	20	30		FDEDRO
C#CCNC(=O)c1ccc(NC[C@H](C(CC)CC)[NH+]2CCOCC2)nc1	ZINC000853134165	967851220	/nfs/dbraw/zinc/85/12/20/967851220.db2.gz	JZMRAAJRKCYAHT-GOSISDBHSA-N	1	0	358.486	1.994	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C(N)=O)cc3)C[C@H]21	ZINC001190440104	967851104	/nfs/dbraw/zinc/85/11/04/967851104.db2.gz	GZLBPMLEZRTWGI-FHLIZLRMSA-N	1	0	357.454	1.409	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3C(=O)Nc4ccccc43)[C@@H]2C1	ZINC001190466928	967892070	/nfs/dbraw/zinc/89/20/70/967892070.db2.gz	IKGFLGKZSJDTQH-KVSKMBFKSA-N	1	0	367.449	1.295	20	30		FDEDRO
COc1ccccc1CN(C)C(=O)CON=C(N)C[N@@H+]1CCCC[C@H]1C	ZINC000111179038	967930519	/nfs/dbraw/zinc/93/05/19/967930519.db2.gz	XHVHUPVNPSTYEH-OAHLLOKOSA-N	1	0	362.474	1.817	20	30		FDEDRO
C#CC[C@@H]([NH2+]CC(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccccc1	ZINC000775398117	967944230	/nfs/dbraw/zinc/94/42/30/967944230.db2.gz	FIZWRWPBCVUBSQ-QGZVFWFLSA-N	1	0	357.435	1.627	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]c(C)c(C(N)=O)c1CC)C2	ZINC001110663055	967944920	/nfs/dbraw/zinc/94/49/20/967944920.db2.gz	WDIOHECDLQBVBX-BMFZPTHFSA-N	1	0	374.485	1.522	20	30		FDEDRO
C#CC[C@H]([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1C)c1ccccc1	ZINC000775400246	967985235	/nfs/dbraw/zinc/98/52/35/967985235.db2.gz	NJVIKQMXSSKHJS-KRWDZBQOSA-N	1	0	371.462	1.935	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(C(=O)NCCNc2ncccc2C#N)CCO1	ZINC000853482103	968044301	/nfs/dbraw/zinc/04/43/01/968044301.db2.gz	QMQXWPBNYZZBCV-INIZCTEOSA-N	1	0	360.462	1.117	20	30		FDEDRO
C[C@@]12COC[C@@H]1C[N@H+](CN1CC(=O)N(Cc3ccc(C#N)cc3)C1=O)C2	ZINC000853566844	968129633	/nfs/dbraw/zinc/12/96/33/968129633.db2.gz	RVJZWSMTIIPSGN-QFBILLFUSA-N	1	0	354.410	1.248	20	30		FDEDRO
COC(=O)NC1CC[NH+](Cn2c(C)nnc2-c2cccc(C#N)c2)CC1	ZINC000853625414	968207239	/nfs/dbraw/zinc/20/72/39/968207239.db2.gz	DMBXMYATSQVQOO-UHFFFAOYSA-N	1	0	354.414	1.903	20	30		FDEDRO
C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCCC[NH+]1CCN(C)CC1	ZINC000853763443	968297649	/nfs/dbraw/zinc/29/76/49/968297649.db2.gz	JOCFUAVCQWFJMD-UHFFFAOYSA-N	1	0	366.506	1.001	20	30		FDEDRO
COc1ccccc1CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1	ZINC001191161401	968305818	/nfs/dbraw/zinc/30/58/18/968305818.db2.gz	BOUMPUYPWBUPKI-HZPDHXFCSA-N	1	0	363.483	1.046	20	30		FDEDRO
C#CC[C@H](Cc1ccccc1)NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C	ZINC000854057693	968563572	/nfs/dbraw/zinc/56/35/72/968563572.db2.gz	RCDJMUVNYFTLLF-GOSISDBHSA-N	1	0	358.486	1.282	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)c1nccnc1I	ZINC001191536870	968572348	/nfs/dbraw/zinc/57/23/48/968572348.db2.gz	ODTTWLDKHOGQNQ-JTQLQIEISA-N	1	0	372.210	1.461	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1O	ZINC001191615020	968621876	/nfs/dbraw/zinc/62/18/76/968621876.db2.gz	TVTRUMCBNNZJII-KBAYOESNSA-N	1	0	354.491	1.336	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@H+](CCc2scnc2C)C[C@H]1O	ZINC001192054537	968933229	/nfs/dbraw/zinc/93/32/29/968933229.db2.gz	VKOFUIPOAODZDS-HUUCEWRRSA-N	1	0	353.488	1.138	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1O	ZINC001192062955	968936161	/nfs/dbraw/zinc/93/61/61/968936161.db2.gz	RKEUPUKFEUYCNG-ZIAGYGMSSA-N	1	0	368.396	1.100	20	30		FDEDRO
CC(C)C[C@H](NC(=O)C#Cc1ccccc1)C(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000854632131	969037105	/nfs/dbraw/zinc/03/71/05/969037105.db2.gz	DPCMQVDIVINZBE-OALUTQOASA-N	1	0	355.482	1.732	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCOC2CCCCCC2)C[C@H]1O	ZINC001192538884	969179309	/nfs/dbraw/zinc/17/93/09/969179309.db2.gz	CEXKKVZUPPNUJP-ZHALLVOQSA-N	1	0	354.491	1.214	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](N(C)CC(=O)NC(C)(C)C)C1	ZINC001192794621	969302010	/nfs/dbraw/zinc/30/20/10/969302010.db2.gz	MODBVRJHHKQCAN-VYDXJSESSA-N	1	0	351.491	1.415	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N[C@@H]2C[N@H+](CCOC(C)C)C[C@H]2O)cc1	ZINC001192898964	969353428	/nfs/dbraw/zinc/35/34/28/969353428.db2.gz	FLNPCYQPULRKMA-RTBURBONSA-N	1	0	360.454	1.289	20	30		FDEDRO
N#Cc1ccncc1C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001192972000	969411964	/nfs/dbraw/zinc/41/19/64/969411964.db2.gz	ZXMKLWHJAWSZIM-ZWKOTPCHSA-N	1	0	363.421	1.464	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)N1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1	ZINC001193122027	969487508	/nfs/dbraw/zinc/48/75/08/969487508.db2.gz	LZPWJKXXIJABRM-AWEZNQCLSA-N	1	0	351.476	1.092	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1CN(CC(=O)N(CC(C)C)C2CC2)C[C@H]1O	ZINC001193345839	969647148	/nfs/dbraw/zinc/64/71/48/969647148.db2.gz	XRMSAMBXOLHHCO-IAGOWNOFSA-N	1	0	365.518	1.397	20	30		FDEDRO
CC(=O)Nc1ccc(S(=O)(=O)NC2(C#N)CCN(C)CC2)c(Cl)c1	ZINC001193380064	969669866	/nfs/dbraw/zinc/66/98/66/969669866.db2.gz	COEBCIMCHZELQC-UHFFFAOYSA-N	1	0	370.862	1.565	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COc2ccc(F)cc2F)C1	ZINC001193507449	969729816	/nfs/dbraw/zinc/72/98/16/969729816.db2.gz	XGROPLLCCMTJNR-DAXOMENPSA-N	1	0	354.397	1.860	20	30		FDEDRO
N#Cc1ccc(I)cc1C(=O)NC(=N)SCC[NH3+]	ZINC001193593666	969754669	/nfs/dbraw/zinc/75/46/69/969754669.db2.gz	XJYZUCDHLKOGIB-UHFFFAOYSA-N	1	0	374.207	1.519	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C)cc3C)C[C@H]2O)CCOCC1	ZINC001193728678	969819734	/nfs/dbraw/zinc/81/97/34/969819734.db2.gz	QZUUTBVKXILFPO-WOJBJXKFSA-N	1	0	370.493	1.785	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COc2ccc(OC)c(C)c2)C1	ZINC001193738174	969823739	/nfs/dbraw/zinc/82/37/39/969823739.db2.gz	OZTFCWDIEWJKFF-CGTJXYLNSA-N	1	0	362.470	1.898	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@@H+](CC)Cc2cnnn2C)CC1	ZINC000957755626	1013915701	/nfs/dbraw/zinc/91/57/01/1013915701.db2.gz	KNRSLHZDHCOQMM-MSOLQXFVSA-N	1	0	361.490	1.467	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@@H+](CC)[C@@H]2CCCNC2=O)CC1	ZINC000957755577	1013915836	/nfs/dbraw/zinc/91/58/36/1013915836.db2.gz	ILBFPHLJSMMJAU-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3ccc(OC)cc32)C1	ZINC001193821432	969880245	/nfs/dbraw/zinc/88/02/45/969880245.db2.gz	IANGMLPPMSELMG-QXAKKESOSA-N	1	0	360.454	1.089	20	30		FDEDRO
CNc1ccc(C#N)cc1NC(=O)c1cncc(N2CC[NH+](C)CC2)c1	ZINC001193945064	969950850	/nfs/dbraw/zinc/95/08/50/969950850.db2.gz	NIQQVCBCSSNXRL-UHFFFAOYSA-N	1	0	350.426	1.999	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(c2ccccc2C#N)CC1	ZINC000466761198	970057959	/nfs/dbraw/zinc/05/79/59/970057959.db2.gz	QCMMKNTUOMVANQ-QAPCUYQASA-N	1	0	353.470	1.873	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(NC(C)=O)n2)C1	ZINC001194375310	970136065	/nfs/dbraw/zinc/13/60/65/970136065.db2.gz	HGJFEDBTOKGEQO-UKRRQHHQSA-N	1	0	366.487	1.623	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCC(C(N)=O)CC2)C1	ZINC001194335189	970139422	/nfs/dbraw/zinc/13/94/22/970139422.db2.gz	MCMBZDUHYPMSTR-BHUNQDJPSA-N	1	0	353.507	1.410	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(N3CCCC3)ccn2)C1	ZINC001194468098	970180725	/nfs/dbraw/zinc/18/07/25/970180725.db2.gz	GAGUONDQZSJIBG-KFKAGJAMSA-N	1	0	358.486	1.811	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COc2c(C)occc2=O)C1	ZINC001194593935	970267694	/nfs/dbraw/zinc/26/76/94/970267694.db2.gz	NOYPZKNXQIUPLF-NVXWUHKLSA-N	1	0	366.458	1.459	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C\c1ccccc1	ZINC001110461913	970428620	/nfs/dbraw/zinc/42/86/20/970428620.db2.gz	NUNSYUPMCNKTRS-ACAUQZJGSA-N	1	0	351.450	1.561	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc3[nH]c(CC)nc32)C1	ZINC001194886814	970488593	/nfs/dbraw/zinc/48/85/93/970488593.db2.gz	MFRCFLJGTBONGK-BPLDGKMQSA-N	1	0	357.458	1.650	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COc3cc(C)c(C)cc32)C1	ZINC001194982371	970584553	/nfs/dbraw/zinc/58/45/53/970584553.db2.gz	GRPXFPNVIUAEFE-RCCFBDPRSA-N	1	0	360.454	1.143	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1O	ZINC001195021588	970617577	/nfs/dbraw/zinc/61/75/77/970617577.db2.gz	XZKIHTUGOIQCLP-JFIYKMOQSA-N	1	0	352.500	1.681	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1cccc(C)c1	ZINC001110465499	970659973	/nfs/dbraw/zinc/65/99/73/970659973.db2.gz	GHTMBVSAIISDHB-OWYHZJEWSA-N	1	0	353.466	1.917	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOc1cccc(F)c1	ZINC001110466425	970721950	/nfs/dbraw/zinc/72/19/50/970721950.db2.gz	OUZPGVYRBXBBID-NXHRZFHOSA-N	1	0	373.428	1.066	20	30		FDEDRO
Cc1ccc(C(=O)N2CC3(C2)C[NH+](C)C3)cc1C#Cc1cnc2cccnn12	ZINC001197918905	972546942	/nfs/dbraw/zinc/54/69/42/972546942.db2.gz	XODVEPOTJMFETM-UHFFFAOYSA-N	1	0	371.444	1.825	20	30		FDEDRO
C#C[C@H]([NH2+][C@H](C)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[C@@H]1CCCO1	ZINC000775795800	972551401	/nfs/dbraw/zinc/55/14/01/972551401.db2.gz	ZNRIBPQOKGLBDF-SNPRPXQTSA-N	1	0	373.409	1.265	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC(=O)NC(C)C)C1	ZINC001197926456	972554010	/nfs/dbraw/zinc/55/40/10/972554010.db2.gz	MPRFCVXUFHHIIR-IAGOWNOFSA-N	1	0	355.523	1.813	20	30		FDEDRO
C#C[C@@H](NCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@@H]1CCCO1	ZINC000775805313	972609928	/nfs/dbraw/zinc/60/99/28/972609928.db2.gz	FULGHRHJWYMRJV-RTWAWAEBSA-N	1	0	369.509	1.846	20	30		FDEDRO
CCOC(=O)[C@H]1CCCN(C(NCC(=O)N2CCc3ccccc32)=[NH+]C)C1	ZINC000119245282	972655054	/nfs/dbraw/zinc/65/50/54/972655054.db2.gz	BCULCJOZXZODEG-INIZCTEOSA-N	1	0	372.469	1.426	20	30		FDEDRO
CCN(CCO)c1ccc(C=[NH+]N[C@@H]2CCCS(=O)(=O)C2)c(C)c1	ZINC000863129426	972671422	/nfs/dbraw/zinc/67/14/22/972671422.db2.gz	LOPVIGAKWMHARN-MRXNPFEDSA-N	1	0	353.488	1.314	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1O	ZINC001197997283	972672376	/nfs/dbraw/zinc/67/23/76/972672376.db2.gz	YDNHJTGRUVBKSM-RTBURBONSA-N	1	0	361.461	1.070	20	30		FDEDRO
c1ccc2c(c1)OC[C@H](CNN=C1CC[NH+](CCN3CCOCC3)CC1)O2	ZINC000863201473	972700730	/nfs/dbraw/zinc/70/07/30/972700730.db2.gz	YFGWHDNNZUJWRY-SFHVURJKSA-N	1	0	374.485	1.200	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](Cc2ccccc2)C(=O)OC)CC1	ZINC000794430565	972720688	/nfs/dbraw/zinc/72/06/88/972720688.db2.gz	CJGAFWNISNRCBC-QFBILLFUSA-N	1	0	356.466	1.868	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C(N)=O)cc1	ZINC001110501003	972731552	/nfs/dbraw/zinc/73/15/52/972731552.db2.gz	URZIWBAGJSFMTR-PDOICOKGSA-N	1	0	357.454	1.334	20	30		FDEDRO
CCCCCCCCCCC(=O)N[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1O	ZINC001198069332	972760721	/nfs/dbraw/zinc/76/07/21/972760721.db2.gz	WSJUOFRIAUBJCU-KZNAEPCWSA-N	1	0	367.534	1.957	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1	ZINC000645119884	1014075436	/nfs/dbraw/zinc/07/54/36/1014075436.db2.gz	VNNFHIXLKSTUBT-SJLPKXTDSA-N	1	0	359.470	1.906	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCOCC1	ZINC000863564438	973019221	/nfs/dbraw/zinc/01/92/21/973019221.db2.gz	XBTJAVROMWMDBU-HXUWFJFHSA-N	1	0	373.497	1.809	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)cc1	ZINC000863585247	973034491	/nfs/dbraw/zinc/03/44/91/973034491.db2.gz	SSPYISBNNRBAOB-PMACEKPBSA-N	1	0	352.438	1.477	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1	ZINC000863585942	973035746	/nfs/dbraw/zinc/03/57/46/973035746.db2.gz	PURPCPVTQSKCCG-HNNXBMFYSA-N	1	0	355.360	1.265	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CC[N@@H+]1C[C@@]2(CO)CCCC[C@@]2(CO)C1	ZINC001198406020	973067427	/nfs/dbraw/zinc/06/74/27/973067427.db2.gz	CZPVABBDDLGIHV-BGYRXZFFSA-N	1	0	357.454	1.734	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(OCC(C)C)c2)C1	ZINC001198482211	973192524	/nfs/dbraw/zinc/19/25/24/973192524.db2.gz	LZJDWSYEYFJOBA-RTBURBONSA-N	1	0	362.470	1.699	20	30		FDEDRO
C#Cc1cccc(NC(=O)NC(=O)C[NH2+]C2(CC(N)=O)CCCCC2)c1	ZINC001198534412	973221723	/nfs/dbraw/zinc/22/17/23/973221723.db2.gz	XHEPYFIELCOLND-UHFFFAOYSA-N	1	0	356.426	1.484	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCC[N@@H+]2CC[C@H](O)C2)CCCN1C(=O)OC(C)(C)C	ZINC000863833508	973252761	/nfs/dbraw/zinc/25/27/61/973252761.db2.gz	QNCXAMHBKDODJQ-KXBFYZLASA-N	1	0	367.490	1.515	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)C(=O)c2ccsc2)C1	ZINC001198836359	973531183	/nfs/dbraw/zinc/53/11/83/973531183.db2.gz	UWOMUKCMVXCLEU-FVQBIDKESA-N	1	0	365.499	1.336	20	30		FDEDRO
C[N@@H+]1C[C@@]23CN(CC(=O)NCc4cccc(C#N)c4)C[C@]2(C1)CCCC3	ZINC001198821518	973572724	/nfs/dbraw/zinc/57/27/24/973572724.db2.gz	RYWAPUHCGBRIHH-OYRHEFFESA-N	1	0	352.482	1.982	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1OCC#N)C(C)(C)C[NH+](C)C	ZINC000120095497	973609038	/nfs/dbraw/zinc/60/90/38/973609038.db2.gz	NLNCTVHQDJVYNI-GFCCVEGCSA-N	1	0	364.421	1.759	20	30		FDEDRO
C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)c1ccccc1OC	ZINC001198902900	973633424	/nfs/dbraw/zinc/63/34/24/973633424.db2.gz	RGBMVSCFKHIHOE-VYDXJSESSA-N	1	0	359.470	1.920	20	30		FDEDRO
C=CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)c1ccccc1	ZINC001198880964	973651736	/nfs/dbraw/zinc/65/17/36/973651736.db2.gz	QOXBDIMTCIAWPG-VAMGGRTRSA-N	1	0	358.482	1.934	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)Cc2ccc(OC)cc2)C1	ZINC001198904525	973723604	/nfs/dbraw/zinc/72/36/04/973723604.db2.gz	HDHBHQWSAQDKAC-ATZDWAIDSA-N	1	0	362.470	1.238	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)c3sccc3CC#N)cn2)CC1	ZINC000864679311	973759372	/nfs/dbraw/zinc/75/93/72/973759372.db2.gz	ZFUCMADGQXHGTP-UHFFFAOYSA-N	1	0	355.467	1.891	20	30		FDEDRO
Cc1cccc(N2CC[NH+](CCCNC(=O)[C@]3(C#N)CCCOC3)CC2)c1	ZINC000864841726	973879671	/nfs/dbraw/zinc/87/96/71/973879671.db2.gz	POEXAGMMMJJYLO-NRFANRHFSA-N	1	0	370.497	1.944	20	30		FDEDRO
O=C(CC[NH+]1CCCCC1)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O	ZINC001199071134	973890385	/nfs/dbraw/zinc/89/03/85/973890385.db2.gz	KIAWSGNXHXRKLQ-WOJBJXKFSA-N	1	0	355.482	1.075	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N[C@@H]2C[N@H+](CCOC(C)C)C[C@H]2O)cc1	ZINC001199216950	974033348	/nfs/dbraw/zinc/03/33/48/974033348.db2.gz	LFCWGUSKBDZFSV-RTBURBONSA-N	1	0	362.470	1.380	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@H]1O	ZINC001199308218	974148940	/nfs/dbraw/zinc/14/89/40/974148940.db2.gz	NVTKRBUEPQLBNP-QZTJIDSGSA-N	1	0	354.491	1.337	20	30		FDEDRO
C=C(Cl)C[C@@H]1NC(=O)N(Cc2ccnc(N3CC[NH+](C)CC3)c2)C1=O	ZINC000865297629	974216673	/nfs/dbraw/zinc/21/66/73/974216673.db2.gz	ACZCYVCMOBTANO-AWEZNQCLSA-N	1	0	363.849	1.396	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(c2cc(C(F)(F)F)cc(C#N)n2)CC1	ZINC000865507596	974331957	/nfs/dbraw/zinc/33/19/57/974331957.db2.gz	BFCVEBUWCMJSNB-UHFFFAOYSA-N	1	0	369.391	1.962	20	30		FDEDRO
CCS(=O)(=O)N1CCC(C[NH2+]Cc2cc(C#N)ccc2N(C)C)CC1	ZINC000865528391	974341439	/nfs/dbraw/zinc/34/14/39/974341439.db2.gz	ROPBFQALPMMDFB-UHFFFAOYSA-N	1	0	364.515	1.776	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C/C=C\c2ccc(C)cc2)C1	ZINC001199591709	974395246	/nfs/dbraw/zinc/39/52/46/974395246.db2.gz	SAAJXLFQJCISHL-RYCDSYRASA-N	1	0	371.481	1.250	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)c3cnc(C#N)cn3)cc2F)CC1	ZINC001199666255	974452163	/nfs/dbraw/zinc/45/21/63/974452163.db2.gz	XLWWPANYOQEHPM-UHFFFAOYSA-N	1	0	354.389	1.882	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+]C[C@]34COC(=O)N3CCOC4)CC2)cc1	ZINC000865771014	974476730	/nfs/dbraw/zinc/47/67/30/974476730.db2.gz	RECWESBXTZILQM-FQEVSTJZSA-N	1	0	370.453	1.333	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#Cc1ccc(F)cc1	ZINC001110545773	974629404	/nfs/dbraw/zinc/62/94/04/974629404.db2.gz	AETJWRVSGAVRDD-XLNTUCKNSA-N	1	0	354.425	1.937	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H](c3ccccc3)O2)CC1	ZINC001200599463	974822578	/nfs/dbraw/zinc/82/25/78/974822578.db2.gz	XNLVRBZXUXKTFA-MSOLQXFVSA-N	1	0	370.453	1.127	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@]23CCOc2ccccc23)CCCO1	ZINC001200966548	974939243	/nfs/dbraw/zinc/93/92/43/974939243.db2.gz	MIXGJADNZLKQRG-MMOPVJDHSA-N	1	0	354.450	1.567	20	30		FDEDRO
COc1ccc([C@]2(C)NC(=O)N(N=Cc3c[nH+]ccc3N(C)C)C2=O)cc1	ZINC000776179006	975038062	/nfs/dbraw/zinc/03/80/62/975038062.db2.gz	JSGLECGVOVIRBI-IBGZPJMESA-N	1	0	367.409	1.957	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1[nH]nc3c1CCCC3)C2	ZINC001110565498	975051631	/nfs/dbraw/zinc/05/16/31/975051631.db2.gz	CNVWNMLVWVUPBA-ZMYBRWDISA-N	1	0	358.486	1.755	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2C)CCCO1	ZINC001201613212	975098523	/nfs/dbraw/zinc/09/85/23/975098523.db2.gz	YCYMKZSNAQNLGT-HLAWJBBLSA-N	1	0	370.493	1.955	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCn2cccn2)C1	ZINC001201620888	975100037	/nfs/dbraw/zinc/10/00/37/975100037.db2.gz	GTKUNBFDLZZFAG-BZSNNMDCSA-N	1	0	362.474	1.071	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1	ZINC000867403232	975140359	/nfs/dbraw/zinc/14/03/59/975140359.db2.gz	XJBBBEDUTZPXCQ-OALUTQOASA-N	1	0	366.465	1.625	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@]23C[C@H]2CCC3)CC1	ZINC001201730780	975148574	/nfs/dbraw/zinc/14/85/74/975148574.db2.gz	WRPMJYYWLHKQSQ-PJIJBLCYSA-N	1	0	362.474	1.158	20	30		FDEDRO
C#C[C@H](NC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)[C@H]1CCCO1	ZINC000776227314	975190291	/nfs/dbraw/zinc/19/02/91/975190291.db2.gz	JJJJGSQTGXTTDV-ZWKOTPCHSA-N	1	0	362.518	1.226	20	30		FDEDRO
C#C[C@H](NC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1)[C@H]1CCCO1	ZINC000776225989	975193531	/nfs/dbraw/zinc/19/35/31/975193531.db2.gz	FKLBNYVULLBFIC-VQTJNVASSA-N	1	0	370.497	1.911	20	30		FDEDRO
C#C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)[C@@H]1CCCO1	ZINC000776229253	975210909	/nfs/dbraw/zinc/21/09/09/975210909.db2.gz	VPNCSTNBFMNPRI-HAGHYFMRSA-N	1	0	371.481	1.349	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](Cc2ccncc2)C(=O)OC(C)(C)C)CC1	ZINC000847265389	975395581	/nfs/dbraw/zinc/39/55/81/975395581.db2.gz	YUTJLNJDUYEWBO-SFHVURJKSA-N	1	0	371.481	1.796	20	30		FDEDRO
CN1CC[NH+](C2CCN(c3cccc(-n4cccn4)c3C#N)CC2)CC1	ZINC000866211894	975488720	/nfs/dbraw/zinc/48/87/20/975488720.db2.gz	AAMCSDDGNPBYSV-UHFFFAOYSA-N	1	0	350.470	1.960	20	30		FDEDRO
C#C[C@@H]1CCCN(C(=O)C(=O)Nc2ccnn2C2CC[NH+](CC)CC2)C1	ZINC000847561502	975828035	/nfs/dbraw/zinc/82/80/35/975828035.db2.gz	BNFYTKUAQNETIG-OAHLLOKOSA-N	1	0	357.458	1.350	20	30		FDEDRO
C[NH+](C)CCOc1ccc(/C=C\C(=O)N2CCN(C(=O)CC#N)CC2)cc1	ZINC000847579117	975856470	/nfs/dbraw/zinc/85/64/70/975856470.db2.gz	DDSJWLJIMSMMEW-YVMONPNESA-N	1	0	370.453	1.225	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)N2CCCN(C[C@@H]3CCCO3)CC2)c1	ZINC000866645637	975864468	/nfs/dbraw/zinc/86/44/68/975864468.db2.gz	NRGNRIYMYFXTNX-INIZCTEOSA-N	1	0	367.446	1.573	20	30		FDEDRO
C[NH+]1CCC(CNS(=O)(=O)c2cncc(C#N)c2)(c2ccccc2)CC1	ZINC000867705424	976685939	/nfs/dbraw/zinc/68/59/39/976685939.db2.gz	GEDJDWQULZNZKS-UHFFFAOYSA-N	1	0	370.478	1.895	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)NCC1(c2ccccc2)CC[NH+](C)CC1	ZINC000867706409	976688425	/nfs/dbraw/zinc/68/84/25/976688425.db2.gz	VYLHUJYPHOWQDO-UHFFFAOYSA-N	1	0	350.488	1.330	20	30		FDEDRO
C[NH+]1CCC(ONC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000848378315	976705881	/nfs/dbraw/zinc/70/58/81/976705881.db2.gz	OZZILUOMUPWATK-UHFFFAOYSA-N	1	0	365.474	1.779	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O	ZINC001110601193	976708501	/nfs/dbraw/zinc/70/85/01/976708501.db2.gz	NEQKEDGYAYZXET-MCIONIFRSA-N	1	0	354.882	1.512	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	ZINC000848411989	976723486	/nfs/dbraw/zinc/72/34/86/976723486.db2.gz	WXSVDNZYGBXHQZ-LJQANCHMSA-N	1	0	358.486	1.923	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1	ZINC000867793181	976869188	/nfs/dbraw/zinc/86/91/88/976869188.db2.gz	FCILSPKKKYHUQG-KRWDZBQOSA-N	1	0	372.535	1.480	20	30		FDEDRO
Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000867941251	977120217	/nfs/dbraw/zinc/12/02/17/977120217.db2.gz	FEUHSDFWLBESKY-HXPMCKFVSA-N	1	0	351.454	1.843	20	30		FDEDRO
CCNC(=O)c1ccc(CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)cc1	ZINC000867948942	977128452	/nfs/dbraw/zinc/12/84/52/977128452.db2.gz	JCBQBAFHNUCYMJ-IBGZPJMESA-N	1	0	362.433	1.811	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCCOc1ccc(Cl)cn1	ZINC000867958139	977141788	/nfs/dbraw/zinc/14/17/88/977141788.db2.gz	JUAPQFPHCVXBQJ-KRWDZBQOSA-N	1	0	356.813	1.989	20	30		FDEDRO
CC(C)C(=O)NC1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000867961217	977144632	/nfs/dbraw/zinc/14/46/32/977144632.db2.gz	UHDDXVPRPNCLNN-GOSISDBHSA-N	1	0	354.454	1.508	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccncc1	ZINC000848933573	977250344	/nfs/dbraw/zinc/25/03/44/977250344.db2.gz	OOJOITYSBDPONH-KSZLIROESA-N	1	0	356.470	1.948	20	30		FDEDRO
COc1cc2c(cc1OC)CN(C(=O)CCCNC1=[NH+]CCN1C)CC2	ZINC000849050877	977293925	/nfs/dbraw/zinc/29/39/25/977293925.db2.gz	MUSVSWNZXKRTTG-UHFFFAOYSA-N	1	0	360.458	1.260	20	30		FDEDRO
C[NH+]=C(NCCn1ccc2cc(Cl)ccc21)NCCN1CCOCC1	ZINC000849052473	977294369	/nfs/dbraw/zinc/29/43/69/977294369.db2.gz	ZGMQMWDJDNNEBA-UHFFFAOYSA-N	1	0	363.893	1.792	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1cc(Br)ccc1O	ZINC000849052271	977294616	/nfs/dbraw/zinc/29/46/16/977294616.db2.gz	SKHIDMSEILIYDD-UHFFFAOYSA-N	1	0	371.279	1.152	20	30		FDEDRO
C=CCOc1cccc(NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1	ZINC000868113123	977296821	/nfs/dbraw/zinc/29/68/21/977296821.db2.gz	PVKLSAPWEGENIF-UAGQMJEPSA-N	1	0	372.425	1.650	20	30		FDEDRO
COc1cc(CNC(=[NH+]Cc2ccccc2)N(C)C)ccc1OCC(N)=O	ZINC000849071062	977302778	/nfs/dbraw/zinc/30/27/78/977302778.db2.gz	KNWCUQFDTVHPJB-UHFFFAOYSA-N	1	0	370.453	1.767	20	30		FDEDRO
CC(C)OC(=O)CCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000849087123	977308151	/nfs/dbraw/zinc/30/81/51/977308151.db2.gz	ZEWBIQNMKXLELN-ZDUSSCGKSA-N	1	0	354.451	1.209	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@@H](O)c1cc(F)cc(Cl)c1	ZINC000849109551	977319437	/nfs/dbraw/zinc/31/94/37/977319437.db2.gz	YCUJQPLFBFPMKR-OAHLLOKOSA-N	1	0	358.845	1.010	20	30		FDEDRO
C[NH+]=C(NCCOc1ccc(F)c(Cl)c1)NCCN1CCOCC1	ZINC000849113220	977325125	/nfs/dbraw/zinc/32/51/25/977325125.db2.gz	MWQLBVIMALHQTR-UHFFFAOYSA-N	1	0	358.845	1.355	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@H](COC)c1ccc(Cl)cc1	ZINC000849114358	977327201	/nfs/dbraw/zinc/32/72/01/977327201.db2.gz	FNHFONHZBBHAKD-MRXNPFEDSA-N	1	0	368.909	1.567	20	30		FDEDRO
C[NH+]=C(NCCOc1ccc(Cl)c(F)c1)NCCN1CCOCC1	ZINC000849115473	977328157	/nfs/dbraw/zinc/32/81/57/977328157.db2.gz	VLPMOZOTNAIDBM-UHFFFAOYSA-N	1	0	358.845	1.355	20	30		FDEDRO
C[NH2+]CCOCCN(C)C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1	ZINC000868196942	977342553	/nfs/dbraw/zinc/34/25/53/977342553.db2.gz	ZESSORIKHUDBLK-UHFFFAOYSA-N	1	0	356.430	1.503	20	30		FDEDRO
CN1CCN(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)[C@H](C[NH3+])C1	ZINC000868208986	977346469	/nfs/dbraw/zinc/34/64/69/977346469.db2.gz	FGWVOYHQHQZFJQ-KGLIPLIRSA-N	1	0	355.364	1.446	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1	ZINC000849495712	977689017	/nfs/dbraw/zinc/68/90/17/977689017.db2.gz	FATRQMPLABTPQW-MOPGFXCFSA-N	1	0	351.454	1.986	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)CC1	ZINC000849514818	977707978	/nfs/dbraw/zinc/70/79/78/977707978.db2.gz	AUIHICDCHIPNGZ-OTWHNJEPSA-N	1	0	372.517	1.148	20	30		FDEDRO
Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2cc(C#N)ccc2F)cn1	ZINC000849554383	977738993	/nfs/dbraw/zinc/73/89/93/977738993.db2.gz	MVNYEFDGCMYAMG-IAGOWNOFSA-N	1	0	355.417	1.783	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@@]1(CNC(=O)OC(C)(C)C)CCCOC1	ZINC000868581901	977790275	/nfs/dbraw/zinc/79/02/75/977790275.db2.gz	NPIFFBPMTYIXDW-LJQANCHMSA-N	1	0	367.490	1.379	20	30		FDEDRO
CC(C)C(=O)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1	ZINC001110615210	978001347	/nfs/dbraw/zinc/00/13/47/978001347.db2.gz	JMLXTVZLNHNMLB-QRVBRYPASA-N	1	0	368.481	1.894	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN(C)S(C)(=O)=O)C2	ZINC001110619482	978152499	/nfs/dbraw/zinc/15/24/99/978152499.db2.gz	WBTDGUMOFBWEHS-OAGGEKHMSA-N	1	0	357.520	1.346	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1	ZINC000850504889	978404329	/nfs/dbraw/zinc/40/43/29/978404329.db2.gz	HNNDUFGXUXSGRD-HNNXBMFYSA-N	1	0	357.454	1.874	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C	ZINC000850507585	978407532	/nfs/dbraw/zinc/40/75/32/978407532.db2.gz	OVHGWONIOJJXMM-UONOGXRCSA-N	1	0	358.442	1.905	20	30		FDEDRO
C#CCCN(CCOC)C(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1	ZINC000850712153	978639112	/nfs/dbraw/zinc/63/91/12/978639112.db2.gz	JOUOFWAGFMWQRN-LJQANCHMSA-N	1	0	371.481	1.218	20	30		FDEDRO
C#CCCN(CCOC)C(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C	ZINC000850726500	978650584	/nfs/dbraw/zinc/65/05/84/978650584.db2.gz	OSJYJVWJQPIRET-QGZVFWFLSA-N	1	0	373.453	1.509	20	30		FDEDRO
N#Cc1cccnc1NCCNC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1	ZINC000850759171	978663059	/nfs/dbraw/zinc/66/30/59/978663059.db2.gz	NAMDGCVYBRQQFU-QGZVFWFLSA-N	1	0	366.425	1.848	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(c2nccnc2F)CC1	ZINC001110629917	978875091	/nfs/dbraw/zinc/87/50/91/978875091.db2.gz	ATZQTOQCEOSNFL-GDBMZVCRSA-N	1	0	359.449	1.387	20	30		FDEDRO
C=CCN1C(=O)N[C@@H](c2ccnn2-c2cc[nH+]cc2)C(C(=O)N(C)C)=C1C	ZINC000851713046	979010420	/nfs/dbraw/zinc/01/04/20/979010420.db2.gz	XNIOCVJKKUXEKJ-KRWDZBQOSA-N	1	0	366.425	1.882	20	30		FDEDRO
C#CCNC(=O)CC[NH+]1CCC(Cc2nc(-c3cc(C)ccn3)no2)CC1	ZINC000880283388	979070828	/nfs/dbraw/zinc/07/08/28/979070828.db2.gz	XAXOWMRBTFKFSB-UHFFFAOYSA-N	1	0	367.453	1.834	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1	ZINC000968005746	1014548400	/nfs/dbraw/zinc/54/84/00/1014548400.db2.gz	QKWSURIFEPKTQV-SQNIBIBYSA-N	1	0	365.518	1.613	20	30		FDEDRO
COc1cccc2c1CC[C@@]2(CO)[NH2+]C[C@H](O)COc1ccc(C#N)cc1	ZINC000880379994	979144965	/nfs/dbraw/zinc/14/49/65/979144965.db2.gz	KSRYPEVLINSTDG-KKSFZXQISA-N	1	0	368.433	1.730	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1	ZINC000968007883	1014554098	/nfs/dbraw/zinc/55/40/98/1014554098.db2.gz	BRYVPUCILPHAPG-JQHSSLGASA-N	1	0	363.502	1.369	20	30		FDEDRO
C#CCC1(O)CC[NH+](C[C@@H](O)COc2cccc(C(=O)OCC)c2)CC1	ZINC000880477760	979218275	/nfs/dbraw/zinc/21/82/75/979218275.db2.gz	NCVXUWWOJDTFOW-QGZVFWFLSA-N	1	0	361.438	1.453	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([N@@H+]3C[C@H](O)CC4(CCOCC4)C3)C2=O)cc1	ZINC000880582317	979325911	/nfs/dbraw/zinc/32/59/11/979325911.db2.gz	MVPBVWBBEPWIRF-RTBURBONSA-N	1	0	369.465	1.917	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)cc1	ZINC000880584746	979329049	/nfs/dbraw/zinc/32/90/49/979329049.db2.gz	LVOFHUZPOIVXET-ZWKOTPCHSA-N	1	0	360.454	1.356	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)cc1	ZINC000880584745	979329376	/nfs/dbraw/zinc/32/93/76/979329376.db2.gz	LVOFHUZPOIVXET-ROUUACIJSA-N	1	0	360.454	1.356	20	30		FDEDRO
C#C[C@](C)(CC)[NH2+]CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1	ZINC000852101284	979350846	/nfs/dbraw/zinc/35/08/46/979350846.db2.gz	OWBJBQBVBYBADF-HXUWFJFHSA-N	1	0	357.454	1.167	20	30		FDEDRO
C#C[C@](C)(CC)[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br	ZINC000852100263	979351056	/nfs/dbraw/zinc/35/10/56/979351056.db2.gz	GJSNJFCVJWKLEP-MRXNPFEDSA-N	1	0	366.259	1.895	20	30		FDEDRO
C#C[C@](C)(CC)[NH2+][C@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1	ZINC000852100956	979351086	/nfs/dbraw/zinc/35/10/86/979351086.db2.gz	LQOZVDDHOHRWPF-CXAGYDPISA-N	1	0	351.472	1.655	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cccnc1F	ZINC000881825721	980188725	/nfs/dbraw/zinc/18/87/25/980188725.db2.gz	LMPGEAKBUWCZRW-UHFFFAOYSA-N	1	0	362.430	1.845	20	30		FDEDRO
C=CCCc1ccc(S(=O)(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1	ZINC000881867026	980231813	/nfs/dbraw/zinc/23/18/13/980231813.db2.gz	HWAWOXGGAWUDLW-INIZCTEOSA-N	1	0	351.516	1.719	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCCS(=O)(=O)C[C@H]1c1ccccc1	ZINC000888910248	980601606	/nfs/dbraw/zinc/60/16/06/980601606.db2.gz	ZNQWLMZBTMPYHW-KRWDZBQOSA-N	1	0	350.484	1.883	20	30		FDEDRO
CC[N@@H+]1CC[C@H]1CNC(=O)COc1cccc(Br)c1C#N	ZINC000882493685	980676845	/nfs/dbraw/zinc/67/68/45/980676845.db2.gz	JXCAZFRFCFTOCP-NSHDSACASA-N	1	0	352.232	1.910	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(CC)C(=O)C23CC[NH+](CC2)C3)C1	ZINC000968163989	1014708565	/nfs/dbraw/zinc/70/85/65/1014708565.db2.gz	LGXMQCYYRRFEEG-IRXDYDNUSA-N	1	0	361.486	1.123	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(C)CC[NH+]2CCCCC2)c1	ZINC000652986758	1014753182	/nfs/dbraw/zinc/75/31/82/1014753182.db2.gz	CRNUILGZJFOITR-UHFFFAOYSA-N	1	0	365.499	1.709	20	30		FDEDRO
N#Cc1cc2c(nc1N1CCC(C(N)=O)([NH+]3CCCCC3)CC1)CCOC2	ZINC000882815069	981707234	/nfs/dbraw/zinc/70/72/34/981707234.db2.gz	ZHJFMRAWKMUXKW-UHFFFAOYSA-N	1	0	369.469	1.336	20	30		FDEDRO
C#CCSCC[NH2+]Cc1c[nH]nc1CN1C(=O)c2ccccc2C1=O	ZINC000858142845	981859208	/nfs/dbraw/zinc/85/92/08/981859208.db2.gz	OLWFTADORBLUAQ-UHFFFAOYSA-N	1	0	354.435	1.662	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1	ZINC000858352773	982000620	/nfs/dbraw/zinc/00/06/20/982000620.db2.gz	GILMEIKVMCJCGX-OALUTQOASA-N	1	0	359.470	1.481	20	30		FDEDRO
C[C@H]1CN(C(=O)NCCNc2ncccc2C#N)CCN1c1cc[nH+]cc1	ZINC000883199414	982009493	/nfs/dbraw/zinc/00/94/93/982009493.db2.gz	DCHNHQFDRSXARB-HNNXBMFYSA-N	1	0	365.441	1.680	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)CC1	ZINC000883341915	982085187	/nfs/dbraw/zinc/08/51/87/982085187.db2.gz	DSOUYHDRBIDIFD-IBGZPJMESA-N	1	0	364.534	1.970	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(C(=O)OCc2ccc(Cl)cc2)CC1	ZINC000858995974	982443828	/nfs/dbraw/zinc/44/38/28/982443828.db2.gz	ZNUKJFIBIZUMPE-UHFFFAOYSA-N	1	0	363.845	1.734	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)C(=O)NCCCC)CC1	ZINC001202559705	982556465	/nfs/dbraw/zinc/55/64/65/982556465.db2.gz	KULYRLYKDIHEJS-OIISXLGYSA-N	1	0	351.491	1.463	20	30		FDEDRO
CCCCCCCNC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1	ZINC000859307466	982699711	/nfs/dbraw/zinc/69/97/11/982699711.db2.gz	YKHYIKDUXQMCDE-UHFFFAOYSA-N	1	0	366.550	1.559	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NCc2ccccc2Cn2cccn2)C1	ZINC000884016354	982702444	/nfs/dbraw/zinc/70/24/44/982702444.db2.gz	UKEZSTPLTDBUPH-IBGZPJMESA-N	1	0	351.454	1.828	20	30		FDEDRO
C[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccc(-n2cncn2)cc1	ZINC000884058607	982786972	/nfs/dbraw/zinc/78/69/72/982786972.db2.gz	PIQZKTICJDHKPE-QGILYTQXSA-N	1	0	350.426	1.584	20	30		FDEDRO
C[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccc(-n2cncn2)cc1	ZINC000884058605	982786998	/nfs/dbraw/zinc/78/69/98/982786998.db2.gz	PIQZKTICJDHKPE-KQZBIBICSA-N	1	0	350.426	1.584	20	30		FDEDRO
CC(C)(CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccc2c(c1)OCO2	ZINC000884112142	982885416	/nfs/dbraw/zinc/88/54/16/982885416.db2.gz	CKOREOIMGMAFIQ-KLSXAPCHSA-N	1	0	355.438	1.948	20	30		FDEDRO
CN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[C@@H]1CCN(c2ccccc2)C1=O	ZINC000884126456	982907769	/nfs/dbraw/zinc/90/77/69/982907769.db2.gz	AKUDCJHNZZRTHU-KLRDNXEFSA-N	1	0	352.438	1.390	20	30		FDEDRO
CN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[C@H]1CCN(c2ccccc2F)C1=O	ZINC000884137452	982919989	/nfs/dbraw/zinc/91/99/89/982919989.db2.gz	MXHQCCCIMURLSU-IQUJVZOLSA-N	1	0	370.428	1.529	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCN(c3ccc(Cl)cc3)C1=O)C2	ZINC000884149257	982928600	/nfs/dbraw/zinc/92/86/00/982928600.db2.gz	GPGWSRJTUBPLOK-VASJYLSYSA-N	1	0	372.856	1.701	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NCCCN2C(=O)COc3ccccc32)C1	ZINC000884172767	982946374	/nfs/dbraw/zinc/94/63/74/982946374.db2.gz	DKTWBHFNHWGEFT-MRXNPFEDSA-N	1	0	370.453	1.199	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1	ZINC000331931655	982960994	/nfs/dbraw/zinc/96/09/94/982960994.db2.gz	VSAVTCJVLCECMC-MOPGFXCFSA-N	1	0	368.481	1.839	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1	ZINC000331931656	982961135	/nfs/dbraw/zinc/96/11/35/982961135.db2.gz	VSAVTCJVLCECMC-OALUTQOASA-N	1	0	368.481	1.839	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1ccn(CCc3ccncc3)n1)C2	ZINC000884207759	982983844	/nfs/dbraw/zinc/98/38/44/982983844.db2.gz	FIJQQYKJGJLSIS-KOHRHEQBSA-N	1	0	350.426	1.599	20	30		FDEDRO
Cc1nc(CN2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CC2)oc1C	ZINC000884211651	982988377	/nfs/dbraw/zinc/98/83/77/982988377.db2.gz	KURQUXSMPYLXLL-WUJZJPHMSA-N	1	0	357.458	1.075	20	30		FDEDRO
COc1cccc(N2CCC[C@H](NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)C2)c1	ZINC000884219401	982993477	/nfs/dbraw/zinc/99/34/77/982993477.db2.gz	OOFYIJIATSDINM-GWWPLSDWSA-N	1	0	368.481	1.920	20	30		FDEDRO
C[C@H](c1cccnc1)N1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1	ZINC000884236343	983014571	/nfs/dbraw/zinc/01/45/71/983014571.db2.gz	SCFLJUFVSSRMLE-SNXQWQLTSA-N	1	0	353.470	1.426	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NCc2ccc(S(=O)(=O)CC)cc2)C1	ZINC000884259504	983033823	/nfs/dbraw/zinc/03/38/23/983033823.db2.gz	SGGKTDARFMQEMY-MRXNPFEDSA-N	1	0	363.483	1.377	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1	ZINC000884261294	983035728	/nfs/dbraw/zinc/03/57/28/983035728.db2.gz	IEMJWTSNNVXONY-IBGZPJMESA-N	1	0	373.497	1.866	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCCN(C3CCCCC3)C1=O)C2	ZINC000884321212	983082806	/nfs/dbraw/zinc/08/28/06/983082806.db2.gz	IXULERJUXSYBKC-GLEGPSONSA-N	1	0	358.486	1.566	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCN(Cc3ccc(F)cc3)C1=O)C2	ZINC000884322442	983083897	/nfs/dbraw/zinc/08/38/97/983083897.db2.gz	MYKJWDLFWLXIEL-RHELOZEPSA-N	1	0	370.428	1.182	20	30		FDEDRO
C=C(Cl)C[C@H](NC(=O)c1ccnc(N2CC[NH2+]CC2)c1)C(=O)OCC	ZINC000884453807	983165577	/nfs/dbraw/zinc/16/55/77/983165577.db2.gz	YWCGOBVVLQYKQG-AWEZNQCLSA-N	1	0	366.849	1.295	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)CN(C[N@@H+]3CC[C@H]([C@H]4CCCO4)C3)C2=O)cc1	ZINC000884482502	983184615	/nfs/dbraw/zinc/18/46/15/983184615.db2.gz	CCEKOUJSQZBUGX-ZWKOTPCHSA-N	1	0	368.437	1.781	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1)c1ccc(C#N)cc1	ZINC000884541643	983232874	/nfs/dbraw/zinc/23/28/74/983232874.db2.gz	KCXYYEVYKMNPKB-VBKZILBWSA-N	1	0	356.470	1.959	20	30		FDEDRO
C[C@H](C[N@H+](C)C[C@@H](O)CC1(C#N)CCOCC1)NC(=O)OC(C)(C)C	ZINC000860100962	983235878	/nfs/dbraw/zinc/23/58/78/983235878.db2.gz	PTSXVSZPFLVUCV-CABCVRRESA-N	1	0	355.479	1.903	20	30		FDEDRO
O=C(NCC#Cc1ccccc1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1	ZINC000861551158	983776246	/nfs/dbraw/zinc/77/62/46/983776246.db2.gz	ICMHKSCGXHHAOS-MSOLQXFVSA-N	1	0	368.437	1.005	20	30		FDEDRO
CC[C@@H](C#N)Oc1cc(CNC(=O)NC[C@@H]2COCC[NH2+]2)ccc1OC	ZINC000861578504	983783868	/nfs/dbraw/zinc/78/38/68/983783868.db2.gz	QIBOCEFPRRCUFA-CABCVRRESA-N	1	0	362.430	1.164	20	30		FDEDRO
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCC([NH+]2CCOCC2)CC1	ZINC000862217084	984257856	/nfs/dbraw/zinc/25/78/56/984257856.db2.gz	UVJLBQJMHVIIAP-LJQANCHMSA-N	1	0	365.474	1.571	20	30		FDEDRO
C#CC[C@@H](CCOC)[NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1	ZINC000862547886	984409613	/nfs/dbraw/zinc/40/96/13/984409613.db2.gz	SGUWMSLBXPTACN-HNNXBMFYSA-N	1	0	368.503	1.198	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)NC1CC[NH+]([C@@H]3CCOC3)CC1)C2	ZINC000868782829	984600883	/nfs/dbraw/zinc/60/08/83/984600883.db2.gz	FUVMZCFLSRBBEL-RTBURBONSA-N	1	0	354.454	1.578	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H](C[C@H]2COCCO2)C(F)(F)F)CC1	ZINC000828472698	984736804	/nfs/dbraw/zinc/73/68/04/984736804.db2.gz	LNYVGAOELMMYBD-LSDHHAIUSA-N	1	0	362.392	1.574	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@H]1Cc2ccc(C#N)cc2C1	ZINC000869191300	984934738	/nfs/dbraw/zinc/93/47/38/984934738.db2.gz	URTIPUIIIPZTON-KXBFYZLASA-N	1	0	368.481	1.920	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCC[C@H](C[NH+]3CCOCC3)C1)C2	ZINC000869192453	984936082	/nfs/dbraw/zinc/93/60/82/984936082.db2.gz	SZYBWNNRLQQKAP-XLIONFOSSA-N	1	0	368.481	1.779	20	30		FDEDRO
C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000869195517	984938603	/nfs/dbraw/zinc/93/86/03/984938603.db2.gz	VLTKDXJLCHSKCI-BFHYXJOUSA-N	1	0	373.881	1.300	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1	ZINC000884911789	984959320	/nfs/dbraw/zinc/95/93/20/984959320.db2.gz	UCJZYILCJPZJCL-RZDIXWSQSA-N	1	0	354.454	1.707	20	30		FDEDRO
C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@@H+]1CC[C@H](O)C1	ZINC000869502914	985151408	/nfs/dbraw/zinc/15/14/08/985151408.db2.gz	XDRHCXYQZCGISF-QWHCGFSZSA-N	1	0	361.870	1.205	20	30		FDEDRO
C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(CCC#N)cc2)[C@H](C)C1	ZINC000885119593	985188098	/nfs/dbraw/zinc/18/80/98/985188098.db2.gz	GIWTYDBWWJJFEY-HUUCEWRRSA-N	1	0	351.472	1.218	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C	ZINC000885847129	985694906	/nfs/dbraw/zinc/69/49/06/985694906.db2.gz	DIEXNFQIFORNTN-AWEZNQCLSA-N	1	0	372.450	1.861	20	30		FDEDRO
N#Cc1cccc(-n2ccc(C(=O)NC[C@H]3CC[N@@H+]3C3CCOCC3)n2)c1	ZINC000885882395	985746461	/nfs/dbraw/zinc/74/64/61/985746461.db2.gz	HNJMJIZUKSDHEL-GOSISDBHSA-N	1	0	365.437	1.727	20	30		FDEDRO
CCOC(=O)c1ccc(N2CC[NH+](C[C@H](O)CC3(C#N)CCC3)CC2)nc1	ZINC000885956729	985798210	/nfs/dbraw/zinc/79/82/10/985798210.db2.gz	XLUFCNJXAPFLOZ-QGZVFWFLSA-N	1	0	372.469	1.825	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](O)Cc2ccccc2)c[nH]1	ZINC001095337354	986082429	/nfs/dbraw/zinc/08/24/29/986082429.db2.gz	RAIJANIIHWTDOX-FYQPLNBISA-N	1	0	364.449	1.825	20	30		FDEDRO
C#CC[N@H+](C[C@H](O)CC(C)(C)O)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886426362	986202656	/nfs/dbraw/zinc/20/26/56/986202656.db2.gz	UIOISTMIUBSNBP-MRXNPFEDSA-N	1	0	354.491	1.843	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)OC(C)(C)C)C1	ZINC000886430390	986211597	/nfs/dbraw/zinc/21/15/97/986211597.db2.gz	LXWDMSRXOPKVFZ-IBGZPJMESA-N	1	0	369.506	1.763	20	30		FDEDRO
N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCCn3nncc3C1)CCC2	ZINC000886457495	986279027	/nfs/dbraw/zinc/27/90/27/986279027.db2.gz	BXAFNNZUMLYFFP-UHFFFAOYSA-N	1	0	356.455	1.934	20	30		FDEDRO
C#CCN(C(=O)c1cnc(Br)n1CC)C1CC[NH+](C)CC1	ZINC000886573290	986372575	/nfs/dbraw/zinc/37/25/75/986372575.db2.gz	DDZUSPVKONYZND-UHFFFAOYSA-N	1	0	353.264	1.835	20	30		FDEDRO
C#CCN(C(=O)Cn1ccc(Br)cc1=O)C1CC[NH+](C)CC1	ZINC000886572300	986372751	/nfs/dbraw/zinc/37/27/51/986372751.db2.gz	HAZCLZTWBPEYJN-UHFFFAOYSA-N	1	0	366.259	1.167	20	30		FDEDRO
C#CCN(C(=O)c1ccc(-n2nnnc2C)cc1F)C1CC[NH+](C)CC1	ZINC000886574894	986374632	/nfs/dbraw/zinc/37/46/32/986374632.db2.gz	XQKJYQALVNVBPL-UHFFFAOYSA-N	1	0	356.405	1.279	20	30		FDEDRO
C#CCN(C(=O)CCNC(=O)c1ccc(C)cc1O)C1CC[NH+](C)CC1	ZINC000886579079	986379836	/nfs/dbraw/zinc/37/98/36/986379836.db2.gz	XDKUXUPNLGRZTH-UHFFFAOYSA-N	1	0	357.454	1.377	20	30		FDEDRO
C#CCN(C(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1)C1CC[NH+](C)CC1	ZINC000886581453	986383971	/nfs/dbraw/zinc/38/39/71/986383971.db2.gz	XXGVHTZDZDKPHY-KRWDZBQOSA-N	1	0	374.529	1.907	20	30		FDEDRO
C#CCN(C(=O)c1ccc2c(c1)[nH]c(=O)n(CC)c2=O)C1CC[NH+](C)CC1	ZINC000886583423	986387849	/nfs/dbraw/zinc/38/78/49/986387849.db2.gz	PSOHMQFDAGWLMC-UHFFFAOYSA-N	1	0	368.437	1.292	20	30		FDEDRO
C#CCN(C(=O)C[C@H](NC(N)=O)c1ccccc1C)C1CC[NH+](C)CC1	ZINC000886585118	986390097	/nfs/dbraw/zinc/39/00/97/986390097.db2.gz	IUDYQTHFCWFBII-SFHVURJKSA-N	1	0	356.470	1.651	20	30		FDEDRO
C#CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)C1	ZINC000886661229	986465421	/nfs/dbraw/zinc/46/54/21/986465421.db2.gz	PKSRNQAZPAVLFG-GOEBONIOSA-N	1	0	350.484	1.847	20	30		FDEDRO
COc1cc(I)ccc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N	ZINC000870940630	986526071	/nfs/dbraw/zinc/52/60/71/986526071.db2.gz	LCVHYYKBIXOXJR-LDYMZIIASA-N	1	0	371.178	1.141	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1	ZINC000870976521	986554001	/nfs/dbraw/zinc/55/40/01/986554001.db2.gz	HQXBCTFVGFKFKP-RBVVOMGSSA-N	1	0	363.483	1.411	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)c3c[nH]nc3[C@@H]3CC[NH2+]C3)CC2)cc1	ZINC000870981342	986558858	/nfs/dbraw/zinc/55/88/58/986558858.db2.gz	HQZXTNHGRPOJLB-OAHLLOKOSA-N	1	0	350.426	1.321	20	30		FDEDRO
Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1	ZINC000871048071	986613913	/nfs/dbraw/zinc/61/39/13/986613913.db2.gz	NXIJAYCYHJGGPP-NVXWUHKLSA-N	1	0	352.442	1.796	20	30		FDEDRO
C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000871101611	986671919	/nfs/dbraw/zinc/67/19/19/986671919.db2.gz	UISAGZKFQOOZIR-UHFFFAOYSA-N	1	0	370.505	1.461	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(Cc2nc(C[C@H](C)[NH2+]C)no2)s1	ZINC000871788379	987242103	/nfs/dbraw/zinc/24/21/03/987242103.db2.gz	JQMBNGJIVRTFMH-JTQLQIEISA-N	1	0	356.473	1.337	20	30		FDEDRO
C[C@]1(C#N)CCN(C(=O)C(=O)N2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)C1	ZINC000872198425	987509420	/nfs/dbraw/zinc/50/94/20/987509420.db2.gz	WYHYSVBUERIPSY-WRWLIDTKSA-N	1	0	360.502	1.895	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCn3cnccc3=O)CC2)cc1	ZINC000292860197	987917427	/nfs/dbraw/zinc/91/74/27/987917427.db2.gz	WVZFAXQESYBGDW-UHFFFAOYSA-N	1	0	365.437	1.240	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1	ZINC000298887318	987932351	/nfs/dbraw/zinc/93/23/51/987932351.db2.gz	SQSZKISFJLVBPP-NEPJUHHUSA-N	1	0	365.430	1.763	20	30		FDEDRO
COCCn1nnc2c1CC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C2	ZINC000293256974	988008409	/nfs/dbraw/zinc/00/84/09/988008409.db2.gz	MKNNQCKYMSQYOB-UHFFFAOYSA-N	1	0	354.414	1.183	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)[C@H]2CCCN2Cc2ccccn2)CC1	ZINC000365747777	988040473	/nfs/dbraw/zinc/04/04/73/988040473.db2.gz	FKACCCCLABSSKT-GOSISDBHSA-N	1	0	354.454	1.034	20	30		FDEDRO
C=CCc1cc(C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)c(O)c(OC)c1	ZINC000872796443	988077551	/nfs/dbraw/zinc/07/75/51/988077551.db2.gz	SBPOVEUJEBJPQM-HOCLYGCPSA-N	1	0	351.468	1.996	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc1	ZINC000293605617	988129076	/nfs/dbraw/zinc/12/90/76/988129076.db2.gz	GLZAEIXASDOGEW-ZBFHGGJFSA-N	1	0	353.426	1.367	20	30		FDEDRO
COCCCNC(=O)C1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000299111684	988130614	/nfs/dbraw/zinc/13/06/14/988130614.db2.gz	ZBUFFSDYJRHLIS-UHFFFAOYSA-N	1	0	372.469	1.752	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1	ZINC000873040700	988464597	/nfs/dbraw/zinc/46/45/97/988464597.db2.gz	FILRXSYNWQVNDY-INIZCTEOSA-N	1	0	356.474	1.517	20	30		FDEDRO
C#CCNC(=O)CC[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1	ZINC000294585690	988485017	/nfs/dbraw/zinc/48/50/17/988485017.db2.gz	MVHTXKROVWIDBR-UHFFFAOYSA-N	1	0	370.413	1.123	20	30		FDEDRO
Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CNc1ccc(Cl)c(C#N)n1	ZINC000361783213	988511976	/nfs/dbraw/zinc/51/19/76/988511976.db2.gz	LHQKWUARXMNXBL-UHFFFAOYSA-N	1	0	373.892	2.403	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CCN(c3ccnc(N4CCOCC4)n3)C2)nc1	ZINC000366179627	988514302	/nfs/dbraw/zinc/51/43/02/988514302.db2.gz	AHYBLLKJYNHVPO-HNNXBMFYSA-N	1	0	352.398	1.238	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1	ZINC000873107432	988568321	/nfs/dbraw/zinc/56/83/21/988568321.db2.gz	NUQHNDWZYKXNND-YPMHNXCESA-N	1	0	354.332	1.287	20	30		FDEDRO
N#Cc1ccc(C[C@H](C#N)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1	ZINC000366274612	988594356	/nfs/dbraw/zinc/59/43/56/988594356.db2.gz	UZDXPMNCOKKGSI-RTBURBONSA-N	1	0	366.465	1.858	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)c1	ZINC000366308909	988611115	/nfs/dbraw/zinc/61/11/15/988611115.db2.gz	JCPOXOZBKUTDDB-IAGOWNOFSA-N	1	0	368.437	1.145	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000362705438	988709879	/nfs/dbraw/zinc/70/98/79/988709879.db2.gz	LTPIDGUWBFFQAZ-NVXWUHKLSA-N	1	0	356.470	1.610	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)Nc3cnc4c(c3)C[NH2+]CC4)CC2)cn1	ZINC000873327582	988715363	/nfs/dbraw/zinc/71/53/63/988715363.db2.gz	LKIAKYISEUEMAI-UHFFFAOYSA-N	1	0	363.425	1.348	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000366726853	988757791	/nfs/dbraw/zinc/75/77/91/988757791.db2.gz	ZGGLJSKEDMZFTP-APWZRJJASA-N	1	0	364.534	1.825	20	30		FDEDRO
C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CC(=O)NCc2cccc(C#N)c2)C[C@H](C)O1	ZINC000363035303	988853351	/nfs/dbraw/zinc/85/33/51/988853351.db2.gz	KDAJKVBFQOCGSR-QKLQHJQFSA-N	1	0	370.497	1.748	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1	ZINC000367444947	988949714	/nfs/dbraw/zinc/94/97/14/988949714.db2.gz	MIQMPIKRRGSCLK-MRXNPFEDSA-N	1	0	368.481	1.233	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1	ZINC000367444946	988950172	/nfs/dbraw/zinc/95/01/72/988950172.db2.gz	MIQMPIKRRGSCLK-INIZCTEOSA-N	1	0	368.481	1.233	20	30		FDEDRO
Cc1oc(NC(=O)CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c(C#N)c1C	ZINC000363218156	989003293	/nfs/dbraw/zinc/00/32/93/989003293.db2.gz	FZPFVDWFHYXSLV-MRXNPFEDSA-N	1	0	359.474	1.418	20	30		FDEDRO
CN1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CCc2ccccc2)C[C@@H]1C#N	ZINC000368700324	989003438	/nfs/dbraw/zinc/00/34/38/989003438.db2.gz	QURLEJATFZTCCK-MOPGFXCFSA-N	1	0	355.486	1.543	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](OCC3CC3)C2)CC1	ZINC000368800730	989008641	/nfs/dbraw/zinc/00/86/41/989008641.db2.gz	RFGOGGCKXCZFEE-RTBURBONSA-N	1	0	362.518	1.570	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)[N@@H+]1CCc2ccccc2C1	ZINC000369228195	989036244	/nfs/dbraw/zinc/03/62/44/989036244.db2.gz	AEUQHUQXFWOIMD-OXQOHEQNSA-N	1	0	367.497	1.815	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@]3(CCCCO3)C2)CC1	ZINC000369671657	989081090	/nfs/dbraw/zinc/08/10/90/989081090.db2.gz	VCZQTWUCPJGBGF-ICSRJNTNSA-N	1	0	362.518	1.714	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@]3(CCCCO3)C2)CC1	ZINC000369671658	989081480	/nfs/dbraw/zinc/08/14/80/989081480.db2.gz	VCZQTWUCPJGBGF-QUCCMNQESA-N	1	0	362.518	1.714	20	30		FDEDRO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC[C@H]3OCC[C@H]3C2)CC1	ZINC000369674899	989082808	/nfs/dbraw/zinc/08/28/08/989082808.db2.gz	ATIFVVAIXOENOZ-YESZJQIVSA-N	1	0	374.510	1.568	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1	ZINC000296281705	989094252	/nfs/dbraw/zinc/09/42/52/989094252.db2.gz	IHYHOSIEKGQNER-GOSISDBHSA-N	1	0	372.469	1.558	20	30		FDEDRO
CON=C(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1csc(N)n1	ZINC000873741873	989098879	/nfs/dbraw/zinc/09/88/79/989098879.db2.gz	YQHYJQXOQYCLRM-UHFFFAOYSA-N	1	0	373.482	1.857	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)c1	ZINC000369724313	989120951	/nfs/dbraw/zinc/12/09/51/989120951.db2.gz	VBWHCYRNKPBDRB-KRWDZBQOSA-N	1	0	365.437	1.500	20	30		FDEDRO
Cn1cc([C@H]2[C@@H](CNC(=O)Nc3ccn(CCC#N)n3)CCC[N@@H+]2C)cn1	ZINC000363422701	989184893	/nfs/dbraw/zinc/18/48/93/989184893.db2.gz	IQLNBVDVONMAHS-RHSMWYFYSA-N	1	0	370.461	1.735	20	30		FDEDRO
COc1cc(/C=C/C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)ccc1OCC#N	ZINC000296412005	989187491	/nfs/dbraw/zinc/18/74/91/989187491.db2.gz	KLMCGXASCWIOOW-DBWMJRBXSA-N	1	0	373.453	1.574	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1	ZINC000296429632	989199987	/nfs/dbraw/zinc/19/99/87/989199987.db2.gz	ZWRFZCLZVWMBKY-HNNXBMFYSA-N	1	0	355.438	1.580	20	30		FDEDRO
CON=C(C(=O)NC[C@H](c1cccs1)[NH+](C)C)c1csc(N)n1	ZINC000873809715	989235407	/nfs/dbraw/zinc/23/54/07/989235407.db2.gz	QJNNIQNDFZIDLF-SNVBAGLBSA-N	1	0	353.473	1.556	20	30		FDEDRO
C#C[C@@H](CC)NC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(F)c1	ZINC000873848117	989319825	/nfs/dbraw/zinc/31/98/25/989319825.db2.gz	GJGUSFSURHGXLA-AWEZNQCLSA-N	1	0	360.433	1.434	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N[C@H](CN1CCOCC1)c1ccccc1	ZINC000296720050	989382637	/nfs/dbraw/zinc/38/26/37/989382637.db2.gz	BUUOCJGNVXYIRI-LJQANCHMSA-N	1	0	358.486	1.314	20	30		FDEDRO
Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1	ZINC000873897172	989413235	/nfs/dbraw/zinc/41/32/35/989413235.db2.gz	JYQUNSVNPIQYAH-GFCCVEGCSA-N	1	0	358.417	1.887	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NC1CCN(c2cc(C)nc(C)n2)CC1	ZINC000296884813	989446594	/nfs/dbraw/zinc/44/65/94/989446594.db2.gz	LZMBBRCSRBIASZ-UHFFFAOYSA-N	1	0	358.490	1.317	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)nn1CCC#N	ZINC000296907225	989448691	/nfs/dbraw/zinc/44/86/91/989448691.db2.gz	QPUZVQIPUOUAIV-INIZCTEOSA-N	1	0	374.489	1.670	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CC[C@](CO)(Cc2ccc(F)cc2)C1	ZINC000297163563	989487431	/nfs/dbraw/zinc/48/74/31/989487431.db2.gz	AGSALMQGLKQNRE-FQEVSTJZSA-N	1	0	361.461	1.717	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCOC[C@@H]1C[C@H](O)c1ccccc1	ZINC000297322389	989514145	/nfs/dbraw/zinc/51/41/45/989514145.db2.gz	IXFREMWGXAUSOH-OALUTQOASA-N	1	0	359.470	1.476	20	30		FDEDRO
CCOC(=O)c1nn(C)cc1C[NH2+]C1CCN(c2ccc(C#N)cn2)CC1	ZINC000364225772	989518665	/nfs/dbraw/zinc/51/86/65/989518665.db2.gz	IJSWECVECZSRLC-UHFFFAOYSA-N	1	0	368.441	1.622	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)[C@H](C#N)C1	ZINC000370307795	989646413	/nfs/dbraw/zinc/64/64/13/989646413.db2.gz	DYXQOLAFRPPWNR-BZUAXINKSA-N	1	0	362.474	1.832	20	30		FDEDRO
C[C@H](C#N)CN(C)C(=O)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1	ZINC000297811660	989705940	/nfs/dbraw/zinc/70/59/40/989705940.db2.gz	PJQIVFARAORFNY-MRXNPFEDSA-N	1	0	371.485	1.765	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)NCCC2CC[NH+](C(C)C)CC2)ccc1C#N	ZINC000874070182	989708442	/nfs/dbraw/zinc/70/84/42/989708442.db2.gz	DYTISMHZMDUDER-UHFFFAOYSA-N	1	0	357.458	1.827	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@H]([NH+]4CC=CC4)C3)n2)c(F)c1	ZINC000364689881	989718872	/nfs/dbraw/zinc/71/88/72/989718872.db2.gz	ZDCCGABUPOQCIZ-HNNXBMFYSA-N	1	0	366.400	2.361	20	30		FDEDRO
CO/N=C/c1ccc(C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1	ZINC000370425394	989734696	/nfs/dbraw/zinc/73/46/96/989734696.db2.gz	SHESTSGWOMXKEP-KNGGAZFVSA-N	1	0	358.486	1.907	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cc(C#N)cn3C(C)(C)C)CC[C@@H]21	ZINC000874173775	989877922	/nfs/dbraw/zinc/87/79/22/989877922.db2.gz	IOXQWKKZXNHARD-CABCVRRESA-N	1	0	357.458	1.606	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1	ZINC000364994295	989943255	/nfs/dbraw/zinc/94/32/55/989943255.db2.gz	XTYMBSOKGHTEBW-LJQANCHMSA-N	1	0	366.465	1.816	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(Cc3nccn3C(F)F)CC2)CC1	ZINC000124898628	989969943	/nfs/dbraw/zinc/96/99/43/989969943.db2.gz	WMLIXYKQOWLIAO-UHFFFAOYSA-N	1	0	365.428	1.268	20	30		FDEDRO
N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CC[C@H](C4CCOCC4)C3)C2=O)cc1	ZINC000365035897	989975072	/nfs/dbraw/zinc/97/50/72/989975072.db2.gz	KGJSHSMZNCOFOU-WMZOPIPTSA-N	1	0	353.422	1.939	20	30		FDEDRO
CN(C(=O)c1ccccc1OCC#N)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000370817516	990010976	/nfs/dbraw/zinc/01/09/76/990010976.db2.gz	COEVRTQZECPRAE-QGZVFWFLSA-N	1	0	356.470	1.829	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](C(=O)N[C@@H](CO)C[NH+]3CCCCC3)C2)c(F)c1	ZINC000298585824	990178937	/nfs/dbraw/zinc/17/89/37/990178937.db2.gz	LSYFLFKKYOVARY-DLBZAZTESA-N	1	0	374.460	1.487	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C	ZINC000874369789	990203933	/nfs/dbraw/zinc/20/39/33/990203933.db2.gz	UZEFJMDEYVYHKF-BMFZPTHFSA-N	1	0	356.426	1.611	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN(C(=O)COC)CC1)C(C)C	ZINC000298660743	990220045	/nfs/dbraw/zinc/22/00/45/990220045.db2.gz	IHEPIFRCEWABKK-KRWDZBQOSA-N	1	0	366.506	1.185	20	30		FDEDRO
CO/N=C/c1ccc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1	ZINC000371355806	990377852	/nfs/dbraw/zinc/37/78/52/990377852.db2.gz	SBCUUTBOUMLVMU-KZALBKFESA-N	1	0	358.486	1.765	20	30		FDEDRO
Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CNC(=O)C1(C#N)CCCC1	ZINC000371590096	990552584	/nfs/dbraw/zinc/55/25/84/990552584.db2.gz	LDIDERCMWDQHLP-UHFFFAOYSA-N	1	0	358.490	1.571	20	30		FDEDRO
N#Cc1cnc2ccccc2c1N1CCC(O)(C[NH+]2CCOCC2)CC1	ZINC000371810360	990735273	/nfs/dbraw/zinc/73/52/73/990735273.db2.gz	RGVYLSNKACFQTF-UHFFFAOYSA-N	1	0	352.438	1.770	20	30		FDEDRO
C[NH+]1CCC(NC(=O)N2CCN(Cc3ccc(C#N)cc3)C(=O)C2)CC1	ZINC000371810427	990735416	/nfs/dbraw/zinc/73/54/16/990735416.db2.gz	NIIKZVFJZWPEOD-UHFFFAOYSA-N	1	0	355.442	1.006	20	30		FDEDRO
C[C@H](CNC(=O)c1ccn(-c2cccc(C#N)c2)n1)N1CC[NH+](C)CC1	ZINC000409744042	990794242	/nfs/dbraw/zinc/79/42/42/990794242.db2.gz	CQJIGPWPKBZHQK-OAHLLOKOSA-N	1	0	352.442	1.110	20	30		FDEDRO
C=CCN(C(=O)Cn1cc([C@H](C)O)nn1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000371974429	990867827	/nfs/dbraw/zinc/86/78/27/990867827.db2.gz	OUPFTISCHFUIOH-WMZOPIPTSA-N	1	0	369.469	1.621	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](c3nc(C)cs3)C2)CC1	ZINC000875182818	991021730	/nfs/dbraw/zinc/02/17/30/991021730.db2.gz	ZXQQAYCFKUXGQP-AWEZNQCLSA-N	1	0	362.499	1.534	20	30		FDEDRO
C#CCOc1ccccc1C[NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1	ZINC000372389792	991070374	/nfs/dbraw/zinc/07/03/74/991070374.db2.gz	NXWINPOJLGLXLV-OXJNMPFZSA-N	1	0	352.438	1.741	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1	ZINC000875204612	991072258	/nfs/dbraw/zinc/07/22/58/991072258.db2.gz	VFVODLRZKVLEEI-DLBZAZTESA-N	1	0	357.454	1.420	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2	ZINC000875291346	991268323	/nfs/dbraw/zinc/26/83/23/991268323.db2.gz	BZPPUGBZNVKVLL-UHFFFAOYSA-N	1	0	371.481	1.952	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1	ZINC000372621465	991274717	/nfs/dbraw/zinc/27/47/17/991274717.db2.gz	VHWGRZRFSBLXOI-CABCVRRESA-N	1	0	359.401	1.519	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1	ZINC000875307194	991291429	/nfs/dbraw/zinc/29/14/29/991291429.db2.gz	WUSUTCCARQEOLS-INIZCTEOSA-N	1	0	353.507	1.712	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N1CCC(CC)([NH+]2CCCC2)CC1)[C@H]1CCCO1	ZINC000875325054	991321285	/nfs/dbraw/zinc/32/12/85/991321285.db2.gz	ONRNZFHFMRQIAW-DLBZAZTESA-N	1	0	361.486	1.150	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1)[C@H]1CCCO1	ZINC000875325468	991322559	/nfs/dbraw/zinc/32/25/59/991322559.db2.gz	RGZFXCQHEIYFCQ-OKZBNKHCSA-N	1	0	361.486	1.197	20	30		FDEDRO
C#CC[C@H]1CCCN(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1	ZINC000825785356	991403263	/nfs/dbraw/zinc/40/32/63/991403263.db2.gz	KLZMEKCKTGPBCT-KRWDZBQOSA-N	1	0	355.486	1.778	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000372761136	991490122	/nfs/dbraw/zinc/49/01/22/991490122.db2.gz	YUFYVTRXCWTTTK-GOSISDBHSA-N	1	0	372.469	1.134	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC000968776019	1015644652	/nfs/dbraw/zinc/64/46/52/1015644652.db2.gz	JYPFJLXVGXQNCR-DMRZNYOFSA-N	1	0	355.442	1.042	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1	ZINC000875558088	991733439	/nfs/dbraw/zinc/73/34/39/991733439.db2.gz	QQCLGWOGXCNUPH-HOTGVXAUSA-N	1	0	353.426	1.974	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000875599375	991787045	/nfs/dbraw/zinc/78/70/45/991787045.db2.gz	PGGCFOHBGKBYOG-RTBURBONSA-N	1	0	371.481	1.264	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000875604846	991793772	/nfs/dbraw/zinc/79/37/72/991793772.db2.gz	SRTZEGYEWWQBHW-MOPGFXCFSA-N	1	0	371.481	1.264	20	30		FDEDRO
O=C(NCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1N=CC=CC1=O	ZINC000373024944	991799763	/nfs/dbraw/zinc/79/97/63/991799763.db2.gz	DLRQRBPYZLUNSO-DXQAYGFFSA-N	1	0	360.458	1.426	20	30		FDEDRO
C=CCn1cc(CNC(=O)N2CC3(C2)C[NH+](Cc2ccccc2)C3)nn1	ZINC000875681122	991904814	/nfs/dbraw/zinc/90/48/14/991904814.db2.gz	OFHLONBSCUVSFF-UHFFFAOYSA-N	1	0	352.442	1.492	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)cc1	ZINC000373115531	991930521	/nfs/dbraw/zinc/93/05/21/991930521.db2.gz	LMJNXPOTEOKLPA-RTBURBONSA-N	1	0	356.470	1.407	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN2C(=O)N(C)C[C@H]2C1)C(C)C	ZINC000373291605	992125386	/nfs/dbraw/zinc/12/53/86/992125386.db2.gz	FPVRAIZJECEXEC-DLBZAZTESA-N	1	0	363.506	1.446	20	30		FDEDRO
COc1c(O)c(C[NH+]2CCC(n3cnc(C#N)n3)CC2)ccc1[N+](=O)[O-]	ZINC000373489353	992246319	/nfs/dbraw/zinc/24/63/19/992246319.db2.gz	KSKZKKCQHHZOOT-UHFFFAOYSA-N	1	0	358.358	1.609	20	30		FDEDRO
COc1ccccc1CC1(O)CC[NH+](CCC(=O)N(C)CCC#N)CC1	ZINC000373967527	992534758	/nfs/dbraw/zinc/53/47/58/992534758.db2.gz	FXRCTHDIVNHJPX-UHFFFAOYSA-N	1	0	359.470	1.827	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)CC1	ZINC000374133589	992630628	/nfs/dbraw/zinc/63/06/28/992630628.db2.gz	WGHDSDSHRDSCSW-HSALFYBXSA-N	1	0	365.477	1.605	20	30		FDEDRO
COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000876474272	992644638	/nfs/dbraw/zinc/64/46/38/992644638.db2.gz	ALLJKHPTCRUPDM-HXUWFJFHSA-N	1	0	357.454	1.661	20	30		FDEDRO
COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1ccc(C#N)c(Cl)c1	ZINC000876475310	992647026	/nfs/dbraw/zinc/64/70/26/992647026.db2.gz	JINIQRWMEIMERX-QGZVFWFLSA-N	1	0	351.834	1.631	20	30		FDEDRO
C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)c3cccc(OC)c3)CC2)C1=O	ZINC000374161537	992658524	/nfs/dbraw/zinc/65/85/24/992658524.db2.gz	ORZMYGJHNGGJGF-GOSISDBHSA-N	1	0	357.454	1.676	20	30		FDEDRO
COCC(COC)[NH+]1CCN(CCOc2ccc(C#N)cc2OC)CC1	ZINC000411859331	992670983	/nfs/dbraw/zinc/67/09/83/992670983.db2.gz	KHRUQZKZAYYWID-UHFFFAOYSA-N	1	0	363.458	1.225	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](C)[C@H]2C[NH3+])s1	ZINC000876533907	992689720	/nfs/dbraw/zinc/68/97/20/992689720.db2.gz	MTZGUVSMWRRBJJ-GXTWGEPZSA-N	1	0	371.528	1.341	20	30		FDEDRO
CC(C)CC(=O)N1CCC(NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876625888	992752141	/nfs/dbraw/zinc/75/21/41/992752141.db2.gz	IGCMERJWPVSFNG-HXUWFJFHSA-N	1	0	368.481	1.898	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@]2(C1)CC(=O)c1ccccc1O2	ZINC000411989103	992754704	/nfs/dbraw/zinc/75/47/04/992754704.db2.gz	QYVPKUPVGJHSPA-YJYMSZOUSA-N	1	0	357.410	1.497	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1	ZINC000876719426	992829668	/nfs/dbraw/zinc/82/96/68/992829668.db2.gz	LBSDCZFSWHAMOC-MRXNPFEDSA-N	1	0	364.877	1.160	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(Cc2noc(C(C)(C)C)n2)CC1	ZINC000876770681	992894338	/nfs/dbraw/zinc/89/43/38/992894338.db2.gz	PKLODHYFUWKIJO-GFCCVEGCSA-N	1	0	355.870	1.481	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)CC2)CC[N@@H+]1C	ZINC000964941141	1015739909	/nfs/dbraw/zinc/73/99/09/1015739909.db2.gz	LOFYQBCFIAZNBT-QILLFSRXSA-N	1	0	371.485	1.728	20	30		FDEDRO
COc1ccc(-c2nc(C)sc2CC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cc1	ZINC000876802598	992920450	/nfs/dbraw/zinc/92/04/50/992920450.db2.gz	QWQKOSIRCGBJNU-UKRRQHHQSA-N	1	0	356.451	1.897	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(CCOc2cccc(OC)c2)CC1	ZINC000876889405	992950197	/nfs/dbraw/zinc/95/01/97/992950197.db2.gz	MENSVRROQZRGDA-KRWDZBQOSA-N	1	0	367.877	1.688	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(CCOc2cccc(OC)c2)CC1	ZINC000876889406	992950402	/nfs/dbraw/zinc/95/04/02/992950402.db2.gz	MENSVRROQZRGDA-QGZVFWFLSA-N	1	0	367.877	1.688	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCCCc1nnc2n1CCCC2	ZINC000876901603	992959675	/nfs/dbraw/zinc/95/96/75/992959675.db2.gz	FYBDDUJTSBMUHL-IBGZPJMESA-N	1	0	364.453	1.422	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)ccc1F	ZINC000877048753	993029805	/nfs/dbraw/zinc/02/98/05/993029805.db2.gz	QMGOOKFXNPWHEJ-DGCLKSJQSA-N	1	0	355.435	1.160	20	30		FDEDRO
N#Cc1cnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c(F)c1	ZINC000413055722	993064516	/nfs/dbraw/zinc/06/45/16/993064516.db2.gz	RVQJEZAXHBDVJJ-UHFFFAOYSA-N	1	0	359.449	1.911	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(=O)[nH]c3ncn(C)c31)C2	ZINC001095518696	993137157	/nfs/dbraw/zinc/13/71/57/993137157.db2.gz	BHYUHWNWWQDNSZ-SNPRPXQTSA-N	1	0	355.442	1.975	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CN(Cc2cccc(C)c2)CCO1	ZINC000877248294	993144848	/nfs/dbraw/zinc/14/48/48/993144848.db2.gz	JQDHKEHAMCKMKK-DLBZAZTESA-N	1	0	351.878	1.782	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)c1nnn([C@@H]3CC[NH2+]C3)c1C(F)F)C2	ZINC000877267205	993164104	/nfs/dbraw/zinc/16/41/04/993164104.db2.gz	ZJRGAIUQMFUBAQ-ZIAGYGMSSA-N	1	0	372.379	1.519	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH+]1CCC(C(=O)N2CCN(C)CC2)CC1	ZINC000877523002	993319372	/nfs/dbraw/zinc/31/93/72/993319372.db2.gz	UDYSTEDINLQALZ-UHFFFAOYSA-N	1	0	369.513	1.610	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccnc1C	ZINC001095556441	993444450	/nfs/dbraw/zinc/44/44/50/993444450.db2.gz	RQXQLDHKNCXKII-FYQPLNBISA-N	1	0	352.482	1.709	20	30		FDEDRO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(CN2C(=O)CNC2=O)cc1	ZINC000877717166	993470697	/nfs/dbraw/zinc/47/06/97/993470697.db2.gz	SVGZOOBIPBPPOY-HNNXBMFYSA-N	1	0	370.453	1.927	20	30		FDEDRO
CN1C(=O)[C@H]2C[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C[C@H]2C1=O	ZINC000877720358	993477291	/nfs/dbraw/zinc/47/72/91/993477291.db2.gz	OJPHGPKWQDVSTK-CALCHBBNSA-N	1	0	363.421	1.510	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1	ZINC000968868078	1015786513	/nfs/dbraw/zinc/78/65/13/1015786513.db2.gz	QTNALTFWDWWNEP-CVEARBPZSA-N	1	0	356.426	1.238	20	30		FDEDRO
C=CCOC(=O)[C@H](CC(=O)NC1CC[NH+](C)CC1)NC(=O)OC(C)(C)C	ZINC000878003778	993602954	/nfs/dbraw/zinc/60/29/54/993602954.db2.gz	HZNIEWCGZQXNPJ-AWEZNQCLSA-N	1	0	369.462	1.209	20	30		FDEDRO
Cc1ccc(NCCCC[NH+]2CCN(c3ncccn3)CC2)nc1C#N	ZINC000468703910	993611885	/nfs/dbraw/zinc/61/18/85/993611885.db2.gz	NFQQKQAMFFMAKB-UHFFFAOYSA-N	1	0	351.458	2.066	20	30		FDEDRO
C=CC[C@@H](C(=O)OC)N1CCC(CC(=O)N2CCN(CC)CC2)CC1	ZINC000878089397	993698579	/nfs/dbraw/zinc/69/85/79/993698579.db2.gz	FVYXXBHMCVGZSD-KRWDZBQOSA-N	1	0	351.491	1.370	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccc1C(F)(F)F	ZINC000923714657	993784872	/nfs/dbraw/zinc/78/48/72/993784872.db2.gz	IZHPEFLEDSGHIT-CMPLNLGQSA-N	1	0	359.373	1.807	20	30		FDEDRO
C[C@H]1C[NH+](CCN2CCN(C(=O)OC(C)(C)C)CC2)C[C@H](C)N1CC#N	ZINC000878772848	994216491	/nfs/dbraw/zinc/21/64/91/994216491.db2.gz	SLHBWCJLXCIGIW-IRXDYDNUSA-N	1	0	365.522	1.457	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH+]2CCC(Nc3ccccc3C#N)CC2)CC1	ZINC000878963578	994387679	/nfs/dbraw/zinc/38/76/79/994387679.db2.gz	MLAWLIMGXWEMGO-UHFFFAOYSA-N	1	0	365.481	1.212	20	30		FDEDRO
COC(=O)[C@@H]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000924170193	994442527	/nfs/dbraw/zinc/44/25/27/994442527.db2.gz	NESIUYPKTCZYSY-MSOLQXFVSA-N	1	0	372.469	1.973	20	30		FDEDRO
CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	ZINC000968917571	1015862975	/nfs/dbraw/zinc/86/29/75/1015862975.db2.gz	ZZKACZVQPPWRFZ-KFWWJZLASA-N	1	0	362.392	1.717	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCN1CCCC1=O)C2	ZINC000965162070	1015865675	/nfs/dbraw/zinc/86/56/75/1015865675.db2.gz	YDICWBSFVIZTOT-MIKZSQDASA-N	1	0	361.486	1.217	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)CC1	ZINC000879114763	994551151	/nfs/dbraw/zinc/55/11/51/994551151.db2.gz	ZVBKQGKWUKPKFP-KRWDZBQOSA-N	1	0	367.852	1.270	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@@H]4CC=CC[C@@H]4C3)CC2)o1	ZINC000879529462	994980603	/nfs/dbraw/zinc/98/06/03/994980603.db2.gz	OPOUKKWRYPCJMX-IYBDPMFKSA-N	1	0	355.442	1.401	20	30		FDEDRO
CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CC[N@H+](CC(=O)NCC#N)C1	ZINC000879653986	995137220	/nfs/dbraw/zinc/13/72/20/995137220.db2.gz	ZUAJJTYCVBYJPH-SFHVURJKSA-N	1	0	352.479	1.889	20	30		FDEDRO
O=C(NCC[NH2+]C1CCN(OCc2ccccc2)CC1)C1N=CC=CC1=O	ZINC000925418152	995580378	/nfs/dbraw/zinc/58/03/78/995580378.db2.gz	ZQYWXBWLXUKPRA-VXPUYCOJSA-N	1	0	370.453	1.699	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](N3CCC[C@H]([NH2+]C4CCOCC4)C3)C2=O)cc1	ZINC000880205610	995721270	/nfs/dbraw/zinc/72/12/70/995721270.db2.gz	QOXDVJBAMBDFLC-AZUAARDMSA-N	1	0	368.481	1.897	20	30		FDEDRO
C#CCNC(=O)CC[NH+]1CCC(Cc2nc(C(=O)OCC)cs2)CC1	ZINC000880263387	995766436	/nfs/dbraw/zinc/76/64/36/995766436.db2.gz	KUMNTIGCCCRUDS-UHFFFAOYSA-N	1	0	363.483	1.714	20	30		FDEDRO
N#Cc1cc(NC(=O)N2CCNCC[NH2+]CC2)ccc1OC(F)(F)F	ZINC000926108991	995921870	/nfs/dbraw/zinc/92/18/70/995921870.db2.gz	DVPSSHIZYPEIEE-UHFFFAOYSA-N	1	0	357.336	1.484	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)Cc1ccccc1CC#N)C2	ZINC000926163645	995951434	/nfs/dbraw/zinc/95/14/34/995951434.db2.gz	CPUVEUCIOWFXSD-UKAVVXHISA-N	1	0	355.482	1.891	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O	ZINC000926233795	995982006	/nfs/dbraw/zinc/98/20/06/995982006.db2.gz	AZWRMBVIQNEEFT-VAVNGKDRSA-N	1	0	365.518	1.443	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O	ZINC000926235006	995983123	/nfs/dbraw/zinc/98/31/23/995983123.db2.gz	PHJAHAHBBQXCHU-HSHRSBJYSA-N	1	0	350.503	1.954	20	30		FDEDRO
CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)c(O)c3)C2)[C@@H]1C(C)C	ZINC000926245559	995994177	/nfs/dbraw/zinc/99/41/77/995994177.db2.gz	XDYUQVHCLQZYGD-LBKNJMOBSA-N	1	0	357.454	1.863	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1	ZINC000926306049	996043780	/nfs/dbraw/zinc/04/37/80/996043780.db2.gz	IELBSXCNMRKVSZ-YJBOKZPZSA-N	1	0	356.470	1.740	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC(N)=O)cc1	ZINC000926344763	996072773	/nfs/dbraw/zinc/07/27/73/996072773.db2.gz	XXABLVWZAQHXLJ-YEWWUXTCSA-N	1	0	366.483	1.577	20	30		FDEDRO
C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1COC[C@@H]1O	ZINC000926779156	996300932	/nfs/dbraw/zinc/30/09/32/996300932.db2.gz	QJIDVHBFDDAVEC-ZNMIVQPWSA-N	1	0	353.463	1.655	20	30		FDEDRO
C#C[C@H]1COCCN1C(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1	ZINC000926789886	996303564	/nfs/dbraw/zinc/30/35/64/996303564.db2.gz	WOOWUGSXOFLDET-IBGZPJMESA-N	1	0	371.481	1.711	20	30		FDEDRO
CCO[C@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)C[NH+](C)C	ZINC000926829462	996327510	/nfs/dbraw/zinc/32/75/10/996327510.db2.gz	HXZUUXXQWABEMS-GOSISDBHSA-N	1	0	373.501	1.747	20	30		FDEDRO
CCO[C@@H](CNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)C[NH+](C)C	ZINC000926837757	996332711	/nfs/dbraw/zinc/33/27/11/996332711.db2.gz	VLLUTJCWHMYYPP-MOPGFXCFSA-N	1	0	373.501	1.373	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N(CC)C[C@H]2COc3ccccc3O2)CCOCC1	ZINC000887125851	996955388	/nfs/dbraw/zinc/95/53/88/996955388.db2.gz	MFXXNYFVQQUMHR-KRWDZBQOSA-N	1	0	372.465	1.837	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1	ZINC000965474046	1016105222	/nfs/dbraw/zinc/10/52/22/1016105222.db2.gz	WBSUYUDTTVXYIA-MDZRGWNJSA-N	1	0	363.502	1.369	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCc2ccc(OCCO)c(OC)c2)cc1	ZINC000264064017	997393265	/nfs/dbraw/zinc/39/32/65/997393265.db2.gz	ANSNSYKODPYEHI-UHFFFAOYSA-N	1	0	373.453	1.722	20	30		FDEDRO
CC(C)(C)NC(=[NH2+])NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1	ZINC000264081582	997398519	/nfs/dbraw/zinc/39/85/19/997398519.db2.gz	HQJIIRKXADEDCZ-HNNXBMFYSA-N	1	0	362.474	1.563	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=[NH2+])NC2CCN(C(=O)OCC)CC2)c1	ZINC000264111659	997403926	/nfs/dbraw/zinc/40/39/26/997403926.db2.gz	QYDRQSISVZOJDG-UHFFFAOYSA-N	1	0	371.441	1.132	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCCNC(=O)c2ccccc2F)cc1OC	ZINC000264133662	997409711	/nfs/dbraw/zinc/40/97/11/997409711.db2.gz	YZHGTJBWQHCMAJ-UHFFFAOYSA-N	1	0	374.416	1.677	20	30		FDEDRO
CCN(CC)C(=[NH2+])NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1	ZINC000264133107	997409794	/nfs/dbraw/zinc/40/97/94/997409794.db2.gz	UNVBNNUMGVFFOR-MRXNPFEDSA-N	1	0	364.490	1.734	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCCc2cccc(C(N)=O)c2)cc1OC	ZINC000264251157	997438898	/nfs/dbraw/zinc/43/88/98/997438898.db2.gz	HAOUDMNAYSANLJ-UHFFFAOYSA-N	1	0	370.453	1.492	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCc2cccnc2OCCOC)CC1	ZINC000264407191	997500657	/nfs/dbraw/zinc/50/06/57/997500657.db2.gz	SBLXROUVWBISSQ-UHFFFAOYSA-N	1	0	362.474	1.947	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2ccccc2Cn2cncn2)CC1	ZINC000264433966	997509894	/nfs/dbraw/zinc/50/98/94/997509894.db2.gz	VFGFQQBZUHSJNM-UHFFFAOYSA-N	1	0	354.458	1.776	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)/C=C/c3ccc(OCC#N)cc3)C2)CC1	ZINC000264444995	997512627	/nfs/dbraw/zinc/51/26/27/997512627.db2.gz	OPPIDOVVIPYZFC-MEQKGCOVSA-N	1	0	368.481	1.841	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O	ZINC000264453021	997516104	/nfs/dbraw/zinc/51/61/04/997516104.db2.gz	GXNRYTSENZOIFD-SFHVURJKSA-N	1	0	358.486	1.767	20	30		FDEDRO
N#Cc1ncn(CC(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)n1	ZINC000887613513	997525264	/nfs/dbraw/zinc/52/52/64/997525264.db2.gz	GFBDOHNIJZVHLI-UHFFFAOYSA-N	1	0	364.453	1.763	20	30		FDEDRO
CC1(C)CC(NC(=O)NCCNC(=O)C2N=CC=CC2=O)CC(C)(C)[NH2+]1	ZINC000264730078	997585482	/nfs/dbraw/zinc/58/54/82/997585482.db2.gz	INMAFGAEWAQHNN-PFONDFGASA-N	1	0	363.462	1.121	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)Nc1cccc(CC#N)n1	ZINC000890324035	997612367	/nfs/dbraw/zinc/61/23/67/997612367.db2.gz	QKEZECNGZVSNBC-UHFFFAOYSA-N	1	0	371.466	1.738	20	30		FDEDRO
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCC2(CC1)CC(=O)C=CO2	ZINC000887768262	997769384	/nfs/dbraw/zinc/76/93/84/997769384.db2.gz	PBGVZHFJCFUULW-UHFFFAOYSA-N	1	0	362.470	1.742	20	30		FDEDRO
O=C(N1CCC2(CC1)CC(=O)C=CO2)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000887778161	997777146	/nfs/dbraw/zinc/77/71/46/997777146.db2.gz	UMHCFGSHVBIVGE-OAQYLSRUSA-N	1	0	370.449	1.488	20	30		FDEDRO
N#CCOc1ccc(CC(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1	ZINC000265469542	997794774	/nfs/dbraw/zinc/79/47/74/997794774.db2.gz	WZLNQNPYAFLTOV-UHFFFAOYSA-N	1	0	357.454	1.702	20	30		FDEDRO
Cc1cccc(NC(=[NH2+])NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c1	ZINC000104163349	998310509	/nfs/dbraw/zinc/31/05/09/998310509.db2.gz	BFOBHPAVFMDARP-UHFFFAOYSA-N	1	0	365.437	1.494	20	30		FDEDRO
N#Cc1cc(F)cc(C2(C(=O)N3CC[C@H]4[C@@H]3CCC[N@H+]4CCO)CC2)c1	ZINC000889756554	998604944	/nfs/dbraw/zinc/60/49/44/998604944.db2.gz	OKWWHVWENNZEST-ROUUACIJSA-N	1	0	357.429	1.787	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)Nc1nc2n(c1C(=O)OC(C)(C)C)CCOC2	ZINC000889865260	998712439	/nfs/dbraw/zinc/71/24/39/998712439.db2.gz	HJRVDQRMGLDXGJ-UHFFFAOYSA-N	1	0	364.446	1.815	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)NCCCCC[NH+]2CCCCC2)n1	ZINC000889915358	998726684	/nfs/dbraw/zinc/72/66/84/998726684.db2.gz	IEIMQNFOXDEKSA-UHFFFAOYSA-N	1	0	357.458	1.859	20	30		FDEDRO
C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000889934111	998732307	/nfs/dbraw/zinc/73/23/07/998732307.db2.gz	LOLWDOLJAAPMCC-YJBOKZPZSA-N	1	0	356.470	1.990	20	30		FDEDRO
C[C@H](NC(=O)C(=O)Nc1cccc(CC#N)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000890077765	998806521	/nfs/dbraw/zinc/80/65/21/998806521.db2.gz	WXXDWIINRLFFAO-LSDHHAIUSA-N	1	0	369.469	1.855	20	30		FDEDRO
C[NH+]1CCC2(CCCN(C(=O)C(=O)Nc3cccc(CC#N)n3)C2)CC1	ZINC000890258560	998882720	/nfs/dbraw/zinc/88/27/20/998882720.db2.gz	HAPBAXVXPLIZEA-UHFFFAOYSA-N	1	0	355.442	1.421	20	30		FDEDRO
C=C(CC)CNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000890317432	998901203	/nfs/dbraw/zinc/90/12/03/998901203.db2.gz	PAIKTJSREDEWEN-GOSISDBHSA-N	1	0	356.470	1.992	20	30		FDEDRO
Cc1nnc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)[nH]1	ZINC001095397351	998976405	/nfs/dbraw/zinc/97/64/05/998976405.db2.gz	MJJTXQCJHBABBX-IKGGRYGDSA-N	1	0	350.426	1.449	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)nc1[C@@H]1CCOC1)C2	ZINC001110859579	999059204	/nfs/dbraw/zinc/05/92/04/999059204.db2.gz	FCWAKIMVRRTLNV-AHCXZYCDSA-N	1	0	374.485	1.462	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2ccccc2CC#N)CC1	ZINC000777408897	999069573	/nfs/dbraw/zinc/06/95/73/999069573.db2.gz	MYBKBUSKMSMZMU-SFHVURJKSA-N	1	0	354.454	1.060	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](OCC)C1CCOCC1)C2	ZINC001110866294	999077929	/nfs/dbraw/zinc/07/79/29/999077929.db2.gz	XOSJLNFVFVJHOK-AKHDSKFASA-N	1	0	366.502	1.742	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1	ZINC000266594524	999196714	/nfs/dbraw/zinc/19/67/14/999196714.db2.gz	VISODFCZBXTYAN-AWEZNQCLSA-N	1	0	361.417	1.624	20	30		FDEDRO
CCO[C@@H](CCNC(=[NH2+])N1CCN(c2ncccn2)CC1)C1CCCC1	ZINC000266981577	999282398	/nfs/dbraw/zinc/28/23/98/999282398.db2.gz	NAHOJDHWJVSJJM-KRWDZBQOSA-N	1	0	360.506	1.899	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=NOCC(=O)N2CCc3ccccc32)cc1	ZINC000266989438	999284024	/nfs/dbraw/zinc/28/40/24/999284024.db2.gz	AFWDDCZNJPKDSD-UHFFFAOYSA-N	1	0	352.438	1.974	20	30		FDEDRO
COc1cc(OC)cc(N2CCC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CC2)c1	ZINC000268286275	999435231	/nfs/dbraw/zinc/43/52/31/999435231.db2.gz	QOBGFZTUZWSSPM-MRXNPFEDSA-N	1	0	374.485	1.976	20	30		FDEDRO
CC[C@@H](CO)[NH+]1CCN(C(=O)/C=C/c2ccc(OCC#N)c(OC)c2)CC1	ZINC000269522592	999469032	/nfs/dbraw/zinc/46/90/32/999469032.db2.gz	QMPSVNWZMHNESN-UABRLCRWSA-N	1	0	373.453	1.526	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1CCN(c2nccn3cnnc23)[C@@H](C)C1	ZINC000269660047	999471202	/nfs/dbraw/zinc/47/12/02/999471202.db2.gz	OJRQMGSIMRIAIC-HNNXBMFYSA-N	1	0	357.462	1.059	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)[nH]1	ZINC000269879576	999480187	/nfs/dbraw/zinc/48/01/87/999480187.db2.gz	OOXANQKQMCEVLL-UHFFFAOYSA-N	1	0	371.485	1.731	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1)OCC	ZINC000270025237	999501408	/nfs/dbraw/zinc/50/14/08/999501408.db2.gz	FRKPOEHEALJTFE-GOSISDBHSA-N	1	0	361.486	1.966	20	30		FDEDRO
CC(C)([NH2+]CC(=O)NCc1ccc(C#N)cc1)C(=O)NCC1CCCC1	ZINC000270964925	999641568	/nfs/dbraw/zinc/64/15/68/999641568.db2.gz	AYMHPINCUIZOMA-UHFFFAOYSA-N	1	0	356.470	1.849	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[NH+](CCC(C)(C)C)CC2)nn1CCC#N	ZINC000271072106	999656673	/nfs/dbraw/zinc/65/66/73/999656673.db2.gz	OJQGOEFMAUQESH-UHFFFAOYSA-N	1	0	374.489	1.624	20	30		FDEDRO
N#Cc1cccc(NC(=O)C2CC[NH+](CCCOC(=O)NC(N)=O)CC2)c1	ZINC000271418927	999700654	/nfs/dbraw/zinc/70/06/54/999700654.db2.gz	XVNXCLKUFYYBGC-UHFFFAOYSA-N	1	0	373.413	1.404	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000283304339	999748298	/nfs/dbraw/zinc/74/82/98/999748298.db2.gz	FAZFKRAELZWVSO-QYZOEREBSA-N	1	0	371.481	1.475	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1	ZINC000284444708	999834528	/nfs/dbraw/zinc/83/45/28/999834528.db2.gz	ZPZHKWLIDNRSQA-QGZVFWFLSA-N	1	0	368.481	1.921	20	30		FDEDRO
C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1	ZINC000284835494	999871424	/nfs/dbraw/zinc/87/14/24/999871424.db2.gz	PFKOJUGRWISTMX-AFYVEPGGSA-N	1	0	360.454	1.550	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCOc3ccccc32)CC1	ZINC000285881325	999922467	/nfs/dbraw/zinc/92/24/67/999922467.db2.gz	IRTBUXDOVPNTCX-OAHLLOKOSA-N	1	0	357.454	1.436	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2c2ncc[nH]2)CC1	ZINC000286626889	999945565	/nfs/dbraw/zinc/94/55/65/999945565.db2.gz	MDIGWZPDOIEILA-MRXNPFEDSA-N	1	0	359.474	1.620	20	30		FDEDRO
C#CCC(CC#C)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1	ZINC000287500715	999958194	/nfs/dbraw/zinc/95/81/94/999958194.db2.gz	GOIHEIIEKPVHAW-UHFFFAOYSA-N	1	0	367.493	1.938	20	30		FDEDRO
CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000287722226	999959248	/nfs/dbraw/zinc/95/92/48/999959248.db2.gz	CIKXVAMBMDOYJL-UHFFFAOYSA-N	1	0	360.462	1.460	20	30		FDEDRO
CC[C@H](CC#N)NC(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1	ZINC000287821534	999963419	/nfs/dbraw/zinc/96/34/19/999963419.db2.gz	PMHRWEORYJZDJF-CQSZACIVSA-N	1	0	373.457	1.714	20	30		FDEDRO
CN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1	ZINC000287977367	999978448	/nfs/dbraw/zinc/97/84/48/999978448.db2.gz	JDKQQJYWXNEWQK-UHFFFAOYSA-N	1	0	364.449	1.861	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C	ZINC000288162069	999992388	/nfs/dbraw/zinc/99/23/88/999992388.db2.gz	QCJXVDDYVWREKT-HIFRSBDPSA-N	1	0	356.426	1.591	20	30		FDEDRO
C#CCNc1nc(NCC(C)(C)CCO)[nH+]c(NCC(C)(C)CCO)n1	ZINC000288446342	1000017964	/nfs/dbraw/zinc/01/79/64/1000017964.db2.gz	PCKFZKWZOBZZQF-UHFFFAOYSA-N	1	0	364.494	1.558	20	30		FDEDRO
CCC[C@@]1(CO)CCN(CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1	ZINC000288923566	1000059815	/nfs/dbraw/zinc/05/98/15/1000059815.db2.gz	VHZIOJYTGUJZGY-FOIQADDNSA-N	1	0	368.437	1.996	20	30		FDEDRO
N#Cc1ccnc(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c1	ZINC000289261193	1000085758	/nfs/dbraw/zinc/08/57/58/1000085758.db2.gz	WFMUUZAFYSJLIE-UHFFFAOYSA-N	1	0	350.422	1.840	20	30		FDEDRO
C=CCCCNC(=O)C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1	ZINC000289684569	1000113128	/nfs/dbraw/zinc/11/31/28/1000113128.db2.gz	HDJWVHFPDBFCQD-UHFFFAOYSA-N	1	0	373.497	1.902	20	30		FDEDRO
N#Cc1ccc(NC(=O)NCCCC[NH+]2CCC(C(N)=O)CC2)cc1F	ZINC000289696043	1000113782	/nfs/dbraw/zinc/11/37/82/1000113782.db2.gz	IKZVTZRLYUKDBY-UHFFFAOYSA-N	1	0	361.421	1.796	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccc(C#N)c(F)c2)CC1	ZINC000289778803	1000118409	/nfs/dbraw/zinc/11/84/09/1000118409.db2.gz	MPIUJRXQIOZIQB-INIZCTEOSA-N	1	0	359.405	1.468	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cc(C(N)=O)ccc2OCC(F)F)CC1	ZINC000291437573	1000186710	/nfs/dbraw/zinc/18/67/10/1000186710.db2.gz	AXYBSGLFLXPGRP-UHFFFAOYSA-N	1	0	365.380	1.713	20	30		FDEDRO
CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000292143964	1000213180	/nfs/dbraw/zinc/21/31/80/1000213180.db2.gz	YIGLLGONDPNGOE-MRXNPFEDSA-N	1	0	358.490	1.905	20	30		FDEDRO
C=C(C)CS(=O)(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21	ZINC000651841186	1016405141	/nfs/dbraw/zinc/40/51/41/1016405141.db2.gz	JHTKSKMPHNAJII-ZWKOTPCHSA-N	1	0	350.484	1.868	20	30		FDEDRO
CN(CCc1cccc(C#N)c1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1	ZINC000927630234	1000943842	/nfs/dbraw/zinc/94/38/42/1000943842.db2.gz	OCLVOLONWKKUGO-IBGZPJMESA-N	1	0	356.470	1.995	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)n1	ZINC000927638724	1000956092	/nfs/dbraw/zinc/95/60/92/1000956092.db2.gz	XGWABRZXBZDUFX-SFHVURJKSA-N	1	0	359.474	1.301	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC#CC)C2	ZINC001110928982	1001008049	/nfs/dbraw/zinc/00/80/49/1001008049.db2.gz	NLSPBYXDWCUYRR-HZMVEIRTSA-N	1	0	374.485	1.302	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)cc21	ZINC000927796332	1001055067	/nfs/dbraw/zinc/05/50/67/1001055067.db2.gz	KIUPMJKOLSWYGP-INIZCTEOSA-N	1	0	357.458	1.993	20	30		FDEDRO
C#CCO[C@H](C)C(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000927841498	1001097869	/nfs/dbraw/zinc/09/78/69/1001097869.db2.gz	FSWUPVGYTMGRLY-CQSZACIVSA-N	1	0	353.463	1.130	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1	ZINC000927847307	1001111647	/nfs/dbraw/zinc/11/16/47/1001111647.db2.gz	VGCDKOFAELRGPF-VXGBXAGGSA-N	1	0	369.343	1.375	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC[C@H]1C[NH3+]	ZINC000927894053	1001196732	/nfs/dbraw/zinc/19/67/32/1001196732.db2.gz	JYPOYALXRUONAG-MNOVXSKESA-N	1	0	368.359	1.959	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3cnn(C)c3C1)C2	ZINC001110945691	1001503884	/nfs/dbraw/zinc/50/38/84/1001503884.db2.gz	YPOCGMYJOYRNDZ-HPBDAGMYSA-N	1	0	358.486	1.449	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2nnn(Cc3ccc(F)cc3)c2C)CC1	ZINC000928652782	1001609770	/nfs/dbraw/zinc/60/97/70/1001609770.db2.gz	MGDFJUAWWNTETR-UHFFFAOYSA-N	1	0	355.417	1.601	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cccc(OCc3noc(C)n3)c2)CC1	ZINC000928655021	1001611087	/nfs/dbraw/zinc/61/10/87/1001611087.db2.gz	QFBKRPGWMFTTFB-UHFFFAOYSA-N	1	0	354.410	1.784	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)CC1	ZINC000928658496	1001614085	/nfs/dbraw/zinc/61/40/85/1001614085.db2.gz	UZQLRGSMKSNKKN-CYBMUJFWSA-N	1	0	361.364	1.364	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H](C)N2C(=O)c3ccc(C)cc3C2=O)CC1	ZINC000928658975	1001614770	/nfs/dbraw/zinc/61/47/70/1001614770.db2.gz	AFBGZZZHCFNWKD-AWEZNQCLSA-N	1	0	353.422	1.193	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CO[C@@H](CCC(=O)OC(C)(C)C)C2)CC1	ZINC000928660144	1001615159	/nfs/dbraw/zinc/61/51/59/1001615159.db2.gz	JHZLFGCNOKGCEJ-WBVHZDCISA-N	1	0	364.486	1.727	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H](F)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000928661455	1001615968	/nfs/dbraw/zinc/61/59/68/1001615968.db2.gz	WXVGOBCNWAGWPZ-GDBMZVCRSA-N	1	0	367.465	1.795	20	30		FDEDRO
C[N@H+](CC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1)[C@@H]1CCSC1	ZINC000928718396	1001635346	/nfs/dbraw/zinc/63/53/46/1001635346.db2.gz	AKYXFVCHVVZWQI-HZPDHXFCSA-N	1	0	359.499	1.793	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)CC1	ZINC000928723471	1001638032	/nfs/dbraw/zinc/63/80/32/1001638032.db2.gz	VAJIQLNKGPQRAV-GOSISDBHSA-N	1	0	370.501	1.384	20	30		FDEDRO
N#CC[C@@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)C(F)(F)F	ZINC000928809082	1001673294	/nfs/dbraw/zinc/67/32/94/1001673294.db2.gz	LOOFQLYCHAOAPS-CYBMUJFWSA-N	1	0	355.364	1.554	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H]1CCc2ccccc2C1)C1CC[NH+](C)CC1	ZINC000929206315	1001814184	/nfs/dbraw/zinc/81/41/84/1001814184.db2.gz	DQIAKTCTRDEGBX-SFHVURJKSA-N	1	0	353.466	1.216	20	30		FDEDRO
Cc1cc(C#N)nc(N2CCC[C@](C)(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001110964222	1001827080	/nfs/dbraw/zinc/82/70/80/1001827080.db2.gz	ZWXRAVRIHULWAH-WRWLIDTKSA-N	1	0	370.501	1.720	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3cncs3)C[C@H]2C)CC1	ZINC000947781403	1001883793	/nfs/dbraw/zinc/88/37/93/1001883793.db2.gz	CVNKIKNRBILXEJ-UKRRQHHQSA-N	1	0	360.483	1.065	20	30		FDEDRO
C[NH+](C)CC[C@H](NC(=O)C(=O)NCc1cccc(C#N)c1)c1cccnc1	ZINC000929379617	1001982287	/nfs/dbraw/zinc/98/22/87/1001982287.db2.gz	FEBLICRKPUVBDD-SFHVURJKSA-N	1	0	365.437	1.379	20	30		FDEDRO
COCCCNC(=O)[C@H](C)N1CC[NH+](CC2CCC(C#N)CC2)CC1	ZINC000929520058	1002159594	/nfs/dbraw/zinc/15/95/94/1002159594.db2.gz	CDQXFNNJOVBOQN-AOCRQIFASA-N	1	0	350.507	1.475	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)CC1	ZINC000929543757	1002187978	/nfs/dbraw/zinc/18/79/78/1002187978.db2.gz	FZLSPSPJUPVHNV-UHFFFAOYSA-N	1	0	368.437	1.555	20	30		FDEDRO
CN(C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)[C@H]1CCCN(CC#N)CC1	ZINC000948381495	1002282793	/nfs/dbraw/zinc/28/27/93/1002282793.db2.gz	QAQXKFZDQUQNQR-OTWHNJEPSA-N	1	0	362.518	1.570	20	30		FDEDRO
C#CC[N@@H+](CC)C[C@H](O)COc1cn(-c2ccccc2)nc1C(=O)OC	ZINC000929786632	1002438827	/nfs/dbraw/zinc/43/88/27/1002438827.db2.gz	GQNVADMYBTXURD-INIZCTEOSA-N	1	0	357.410	1.354	20	30		FDEDRO
C=CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC000948775606	1002663268	/nfs/dbraw/zinc/66/32/68/1002663268.db2.gz	MSNJBWMEPVKOCK-YESZJQIVSA-N	1	0	351.491	1.511	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H]1CCc2c1cccc2OC)C1CC[NH+](C)CC1	ZINC000929967272	1002670587	/nfs/dbraw/zinc/67/05/87/1002670587.db2.gz	WNCJYUZJNIYIGE-SFHVURJKSA-N	1	0	369.465	1.355	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2c(C)nc3ccccn32)CC1	ZINC000930009771	1002732806	/nfs/dbraw/zinc/73/28/06/1002732806.db2.gz	IZLAEQZSZDEVJQ-UHFFFAOYSA-N	1	0	369.469	1.416	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2c2ccnn2C)CC1	ZINC000930010334	1002733918	/nfs/dbraw/zinc/73/39/18/1002733918.db2.gz	QHKMTQXDYXJQBR-KRWDZBQOSA-N	1	0	359.474	1.240	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CCC[N@H+](CC(=O)NC2CC2)CC1	ZINC000948851933	1002758329	/nfs/dbraw/zinc/75/83/29/1002758329.db2.gz	FALNTZQOLNZBGH-LNLFQRSKSA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H](C)c1cnn(C(C)C)c1)C1CC[NH+](C)CC1	ZINC000930159919	1002893899	/nfs/dbraw/zinc/89/38/99/1002893899.db2.gz	ZUFHWLHYNPVHLN-HNNXBMFYSA-N	1	0	359.474	1.197	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H]1CCCC[C@H]1SCC)C1CC[NH+](C)CC1	ZINC000930251732	1002970827	/nfs/dbraw/zinc/97/08/27/1002970827.db2.gz	VLJNSIXOSJZLET-IAGOWNOFSA-N	1	0	365.543	1.723	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1	ZINC000949179728	1003062032	/nfs/dbraw/zinc/06/20/32/1003062032.db2.gz	CVUWTHQQQIPMBA-IKGGRYGDSA-N	1	0	351.491	1.273	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Nc1ccc(F)cc1CS(C)(=O)=O	ZINC000930375902	1003070032	/nfs/dbraw/zinc/07/00/32/1003070032.db2.gz	CFJGDPQIFIDQFJ-UHFFFAOYSA-N	1	0	355.435	1.447	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)nc1	ZINC000949213449	1003107302	/nfs/dbraw/zinc/10/73/02/1003107302.db2.gz	TZLAATPKNKVXMI-CRAIPNDOSA-N	1	0	368.481	1.372	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1C	ZINC000949535856	1003454774	/nfs/dbraw/zinc/45/47/74/1003454774.db2.gz	NMUPOQUDBMTRBB-XMTFNYHQSA-N	1	0	372.513	1.981	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC1CCC(C)([NH+]2CCC2)CC1	ZINC000930767794	1003485222	/nfs/dbraw/zinc/48/52/22/1003485222.db2.gz	BZUHDWAPBWCLFL-HMFCVHIJSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC1CCC(C)([NH+]2CCC2)CC1	ZINC000930767797	1003485460	/nfs/dbraw/zinc/48/54/60/1003485460.db2.gz	BZUHDWAPBWCLFL-YJBCQJRQSA-N	1	0	363.502	1.607	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c1	ZINC000930945285	1003692790	/nfs/dbraw/zinc/69/27/90/1003692790.db2.gz	KVYZDDASPJFZFP-INIZCTEOSA-N	1	0	362.495	1.944	20	30		FDEDRO
CCc1noc(COCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)n1	ZINC000930980393	1003738033	/nfs/dbraw/zinc/73/80/33/1003738033.db2.gz	XKCZMRYZBKQYMT-UHFFFAOYSA-N	1	0	371.441	1.611	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)Cc3ccoc3)C2)CC1	ZINC000949864852	1003759397	/nfs/dbraw/zinc/75/93/97/1003759397.db2.gz	LULGMACUDMUNFB-CRAIPNDOSA-N	1	0	357.454	1.130	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC34CCC4)C2)CC1	ZINC000949864860	1003759451	/nfs/dbraw/zinc/75/94/51/1003759451.db2.gz	MBVKVMZGTQGFBQ-BPQIPLTHSA-N	1	0	357.498	1.485	20	30		FDEDRO
C[C@@H]1[C@H]([NH+](C)C)CCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000931037157	1003801802	/nfs/dbraw/zinc/80/18/02/1003801802.db2.gz	AGDKOSAFPZABDL-RHSMWYFYSA-N	1	0	352.442	1.707	20	30		FDEDRO
N#CCCN(CCN1CCOCC1)C(=O)c1ccc(C[NH+]2CCCCC2)o1	ZINC000931262701	1004003323	/nfs/dbraw/zinc/00/33/23/1004003323.db2.gz	GTPVCMZNDJXBPN-UHFFFAOYSA-N	1	0	374.485	1.954	20	30		FDEDRO
N#Cc1cccc(-c2nnc(CN3CC[NH+](CCCCCO)CC3)o2)c1	ZINC000931500905	1004220966	/nfs/dbraw/zinc/22/09/66/1004220966.db2.gz	QRJWMNJLELLBPK-UHFFFAOYSA-N	1	0	355.442	1.888	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)c1	ZINC000931591344	1004294416	/nfs/dbraw/zinc/29/44/16/1004294416.db2.gz	CAAWYNJLRYMWRZ-UHFFFAOYSA-N	1	0	358.417	1.400	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2cc(C#N)ccc2F)C[C@H]1C	ZINC000931593918	1004298071	/nfs/dbraw/zinc/29/80/71/1004298071.db2.gz	CMYZJYOXZOXRAF-CZUORRHYSA-N	1	0	360.433	1.645	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3cc(C#N)ccc3F)CC[C@H]21	ZINC000931595295	1004299639	/nfs/dbraw/zinc/29/96/39/1004299639.db2.gz	GSEXUSWOZMKUQU-RHSMWYFYSA-N	1	0	358.417	1.256	20	30		FDEDRO
CC1(C)CNC(=O)[C@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000931662445	1004381514	/nfs/dbraw/zinc/38/15/14/1004381514.db2.gz	BOSYMJXTQNZGJG-OAHLLOKOSA-N	1	0	360.483	1.941	20	30		FDEDRO
N#CC[C@@H](O)C[N@@H+]1C[C@@H]2CC[C@H]1[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12	ZINC000931761634	1004477762	/nfs/dbraw/zinc/47/77/62/1004477762.db2.gz	GLGXZDQHGWDVAG-FLXSYLCISA-N	1	0	353.422	1.157	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F	ZINC000931861660	1004550537	/nfs/dbraw/zinc/55/05/37/1004550537.db2.gz	OSKCWLQJXSXAKB-NSHDSACASA-N	1	0	366.384	1.306	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)CC1	ZINC000932178994	1004811125	/nfs/dbraw/zinc/81/11/25/1004811125.db2.gz	VYJXGGVQXVKLEV-UHFFFAOYSA-N	1	0	369.391	1.885	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)NCC[N@@H+](C)CCCC)c1	ZINC000932612790	1005037366	/nfs/dbraw/zinc/03/73/66/1005037366.db2.gz	KDRBIOWOBJEWGN-UHFFFAOYSA-N	1	0	350.484	1.945	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](CCNC(=O)OC(C)(C)C)C1	ZINC000932698097	1005106806	/nfs/dbraw/zinc/10/68/06/1005106806.db2.gz	CNHDSFVQNYRONZ-OAHLLOKOSA-N	1	0	352.479	1.985	20	30		FDEDRO
O=C1N[C@H](C2CC[NH+](CC#CCN3C(=O)c4ccccc4C3=O)CC2)CO1	ZINC000932770006	1005159667	/nfs/dbraw/zinc/15/96/67/1005159667.db2.gz	CNNOMBZRBBRMCE-KRWDZBQOSA-N	1	0	367.405	1.106	20	30		FDEDRO
C#CCNC(=O)CC[NH+]1CCC(OC2CN(C(=O)OC(C)(C)C)C2)CC1	ZINC000932796725	1005183573	/nfs/dbraw/zinc/18/35/73/1005183573.db2.gz	DGEDZAKJXSCBAJ-UHFFFAOYSA-N	1	0	365.474	1.226	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H](CS(N)(=O)=O)C1	ZINC000932949807	1005267989	/nfs/dbraw/zinc/26/79/89/1005267989.db2.gz	DMVISAIYDJHWHZ-KBPBESRZSA-N	1	0	371.528	1.262	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)NCc2ccc(OCC(N)=O)cc2)CCCCC1	ZINC000933266156	1005527621	/nfs/dbraw/zinc/52/76/21/1005527621.db2.gz	QFQMFFUBUFAAHT-UHFFFAOYSA-N	1	0	357.454	1.483	20	30		FDEDRO
C#CCOc1cccc(Cl)c1C[NH2+]CCCN1CCCS1(=O)=O	ZINC000778167291	1005546022	/nfs/dbraw/zinc/54/60/22/1005546022.db2.gz	GPHOYMSSBHWRCD-UHFFFAOYSA-N	1	0	356.875	1.867	20	30		FDEDRO
C#CCNC(=O)CC[N@@H+](C)C1(CNC(=O)OC(C)(C)C)CCOCC1	ZINC000933499304	1005570074	/nfs/dbraw/zinc/57/00/74/1005570074.db2.gz	ONFRGDWDZRGSOX-UHFFFAOYSA-N	1	0	353.463	1.132	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccncc1Cl)C2	ZINC001111060135	1005635846	/nfs/dbraw/zinc/63/58/46/1005635846.db2.gz	JRNRTKGWNBWMTC-BHTHQVBYSA-N	1	0	362.861	1.761	20	30		FDEDRO
CCOC(=O)C1([C@H](C)[NH2+]CC(=O)N(CC)C[C@@H](C)C#N)CCOCC1	ZINC000933883384	1005653967	/nfs/dbraw/zinc/65/39/67/1005653967.db2.gz	YRMJIUFEPQNCPC-GJZGRUSLSA-N	1	0	353.463	1.333	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CS(=O)(=O)N(CC)CC)C2	ZINC001111084577	1005820665	/nfs/dbraw/zinc/82/06/65/1005820665.db2.gz	JVMVTNDVPMXRML-OAGGEKHMSA-N	1	0	357.520	1.346	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COC[C@@H]2CCOC2)C3)cc1	ZINC001111087028	1005841014	/nfs/dbraw/zinc/84/10/14/1005841014.db2.gz	FZQDSZYCLJVWMT-WTGUMLROSA-N	1	0	369.465	1.833	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)C2	ZINC001111116839	1006284209	/nfs/dbraw/zinc/28/42/09/1006284209.db2.gz	FFZCNYAOPKHQHC-WCVJEAGWSA-N	1	0	357.520	1.248	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCN(C)S1(=O)=O)C2	ZINC001111129555	1006335493	/nfs/dbraw/zinc/33/54/93/1006335493.db2.gz	WNZWUQWIBUOQBA-WCXIOVBPSA-N	1	0	369.531	1.488	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)COC3)C2	ZINC001111131031	1006345975	/nfs/dbraw/zinc/34/59/75/1006345975.db2.gz	UPSBCXOZEOEEPZ-XEKGUZQTSA-N	1	0	367.449	1.190	20	30		FDEDRO
C=C[C@H](CC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)c1ccccc1	ZINC000638480914	1006542687	/nfs/dbraw/zinc/54/26/87/1006542687.db2.gz	BYSKEGHMFUJBMU-QGZVFWFLSA-N	1	0	356.470	1.516	20	30		FDEDRO
C[NH+](C)CCNC(=O)C1CCN(C(=O)Cc2cccc(OCC#N)c2)CC1	ZINC000090011731	1006581308	/nfs/dbraw/zinc/58/13/08/1006581308.db2.gz	CTMCECZZLILDPP-UHFFFAOYSA-N	1	0	372.469	1.048	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC(=O)NC1CCCC1)C2	ZINC001111183292	1006693946	/nfs/dbraw/zinc/69/39/46/1006693946.db2.gz	XWYJQQGWKJHRST-KURKYZTESA-N	1	0	363.502	1.750	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)C=CC(=O)Nc2ccc3n[nH]cc3c2)CC1	ZINC000778722087	1006709199	/nfs/dbraw/zinc/70/91/99/1006709199.db2.gz	RKFZNZUPLCGHLR-SNAWJCMRSA-N	1	0	352.398	1.162	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCc2ccccc21)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000155810404	1006726540	/nfs/dbraw/zinc/72/65/40/1006726540.db2.gz	DXXXJAFOOSVXEV-MRXNPFEDSA-N	1	0	366.469	1.374	20	30		FDEDRO
C=CC[C@]1(C(=O)N(C)CC(=O)Nc2ccc3c(c2)OCCO3)CCC[NH2+]1	ZINC000638780566	1006778314	/nfs/dbraw/zinc/77/83/14/1006778314.db2.gz	SNHFLQXJPVYTSU-LJQANCHMSA-N	1	0	359.426	1.553	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)C1	ZINC000954493002	1006815288	/nfs/dbraw/zinc/81/52/88/1006815288.db2.gz	WYZHPCYDKWPIAF-BZSNNMDCSA-N	1	0	363.502	1.511	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@H]3c3ccco3)C2)CC1	ZINC000954500720	1006820219	/nfs/dbraw/zinc/82/02/19/1006820219.db2.gz	BTHJRUHWPFYUSM-QZTJIDSGSA-N	1	0	369.465	1.398	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH+]2CCC(OCc3ccccc3F)CC2)CC1	ZINC000091863732	1006954879	/nfs/dbraw/zinc/95/48/79/1006954879.db2.gz	FVRMFAZEHSCION-UHFFFAOYSA-N	1	0	373.472	1.584	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](OC)C(F)(F)F)C2	ZINC001111240064	1007034374	/nfs/dbraw/zinc/03/43/74/1007034374.db2.gz	NNEAJQLYHZOYJH-MQYQWHSLSA-N	1	0	350.381	1.878	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1C[C@H]1C1CC1	ZINC001114589968	1007054229	/nfs/dbraw/zinc/05/42/29/1007054229.db2.gz	LSRZSKNVKUWXRD-ARWBCWGVSA-N	1	0	357.498	1.670	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC[C@H]1CCCCO1	ZINC001111487646	1007057794	/nfs/dbraw/zinc/05/77/94/1007057794.db2.gz	YRCHYIGCEZLVQL-MKXGPGLRSA-N	1	0	366.502	1.886	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH+]1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1	ZINC000047892838	1007112357	/nfs/dbraw/zinc/11/23/57/1007112357.db2.gz	JXSKBFMQBJUZHS-HNNXBMFYSA-N	1	0	359.445	1.600	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000956804723	1007151909	/nfs/dbraw/zinc/15/19/09/1007151909.db2.gz	ULXVDSYHKQHFSF-ZSZQSSIHSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1	ZINC000955365517	1007389922	/nfs/dbraw/zinc/38/99/22/1007389922.db2.gz	RBXCVGJPXDWYOH-FGTMMUONSA-N	1	0	363.502	1.367	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000957132924	1007770946	/nfs/dbraw/zinc/77/09/46/1007770946.db2.gz	LGZPEMJTXXKEHN-JXXFODFXSA-N	1	0	358.486	1.735	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2CNC(=O)[C@@H]2C[C@H]2CCC)CC1	ZINC000956052247	1007827989	/nfs/dbraw/zinc/82/79/89/1007827989.db2.gz	KANASIDIZBVUKZ-CEXWTWQISA-N	1	0	359.514	1.875	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(Cn2ccc(C)c(C#N)c2=O)CC1	ZINC000795713104	1008038870	/nfs/dbraw/zinc/03/88/70/1008038870.db2.gz	CGEUZTWTUNBEQT-UHFFFAOYSA-N	1	0	362.474	1.045	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC2(C)CCN(C(=O)[C@@H]3C[C@H]3CC)CC2)CC1	ZINC000956395724	1008110925	/nfs/dbraw/zinc/11/09/25/1008110925.db2.gz	HSDYFDJRQQNIQY-SJLPKXTDSA-N	1	0	359.514	1.875	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3occc3CC)C[C@H]2C)CC1	ZINC000958574198	1008736673	/nfs/dbraw/zinc/73/66/73/1008736673.db2.gz	WGPWXLKJSCKZCA-CRAIPNDOSA-N	1	0	371.481	1.764	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)c1	ZINC000958715192	1008986356	/nfs/dbraw/zinc/98/63/56/1008986356.db2.gz	PWPNZKMXWKMBQY-ZTFGCOKTSA-N	1	0	354.454	1.124	20	30		FDEDRO
Cc1cccc(NC(=[NH2+])NCCCN2CCN(c3ncccn3)CC2)c1	ZINC000303780276	1009579077	/nfs/dbraw/zinc/57/90/77/1009579077.db2.gz	LGLQKVWFMMUGQK-UHFFFAOYSA-N	1	0	353.474	1.724	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCCc2nnc3ccccn32)CC1	ZINC000303788260	1009584298	/nfs/dbraw/zinc/58/42/98/1009584298.db2.gz	UEFVFUGQIMODSH-UHFFFAOYSA-N	1	0	373.461	1.139	20	30		FDEDRO
COCCOc1ncccc1CNC(=[NH2+])NCc1ccc(OC)c(OC)c1	ZINC000303903975	1009686980	/nfs/dbraw/zinc/68/69/80/1009686980.db2.gz	UPNVLEMVMOIUKO-UHFFFAOYSA-N	1	0	374.441	1.729	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C(F)(F)F)cnn1C)C2	ZINC001111337337	1009991696	/nfs/dbraw/zinc/99/16/96/1009991696.db2.gz	YIBCYUNMFQVRHM-BNOWGMLFSA-N	1	0	370.375	1.424	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1nc(C)n(C)c1=O)C2	ZINC001111338295	1010061544	/nfs/dbraw/zinc/06/15/44/1010061544.db2.gz	LLUAKBSDFVLPND-ZACQAIPSSA-N	1	0	363.506	1.582	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)CC2(C)C)CC[N@@H+]1C	ZINC000967047573	1017084014	/nfs/dbraw/zinc/08/40/14/1017084014.db2.gz	VWMGMBNTLZISME-RCCFBDPRSA-N	1	0	359.514	1.873	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1	ZINC000951095517	1010443961	/nfs/dbraw/zinc/44/39/61/1010443961.db2.gz	QYAQZRCWCRINOI-BBWFWOEESA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1	ZINC000951298399	1010703770	/nfs/dbraw/zinc/70/37/70/1010703770.db2.gz	XTDVWWBDDWDRAH-OIISXLGYSA-N	1	0	354.410	1.256	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1	ZINC000951404519	1010815536	/nfs/dbraw/zinc/81/55/36/1010815536.db2.gz	NQSULTBQXVFTQJ-BBWFWOEESA-N	1	0	361.486	1.313	20	30		FDEDRO
NC(=O)NCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#Cc1ccc(Cl)cc1	ZINC001111372943	1010836864	/nfs/dbraw/zinc/83/68/64/1010836864.db2.gz	PFYMPNXKUQFJGM-ZACQAIPSSA-N	1	0	374.872	1.471	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(C(N)=O)cc1	ZINC000960880122	1011609212	/nfs/dbraw/zinc/60/92/12/1011609212.db2.gz	AJFXRQUPHXHZCU-OTWHNJEPSA-N	1	0	371.481	1.799	20	30		FDEDRO
CN1C(=O)CC[C@@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1	ZINC001095860401	1011924266	/nfs/dbraw/zinc/92/42/66/1011924266.db2.gz	SMKDMHTZWSKIGB-YRXWBPOGSA-N	1	0	366.465	1.791	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2CC)CC1	ZINC000952731269	1011972351	/nfs/dbraw/zinc/97/23/51/1011972351.db2.gz	WBLYOTJDXDUDTJ-RSPOEFSDSA-N	1	0	371.525	1.970	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc(-n3ccnc3)c1)C2	ZINC001111413605	1012403674	/nfs/dbraw/zinc/40/36/74/1012403674.db2.gz	YYRBXMRDOCAUEO-KURKYZTESA-N	1	0	367.453	1.805	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2	ZINC001111415975	1012433408	/nfs/dbraw/zinc/43/34/08/1012433408.db2.gz	CTUOLQVEGXMRFP-MKXGPGLRSA-N	1	0	374.529	1.112	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC3(C[C@H]3NC(=O)c3c[nH]c(C#N)c3)CC2)CC[N@@H+]1C	ZINC000963663968	1012540661	/nfs/dbraw/zinc/54/06/61/1012540661.db2.gz	ISTOGQAPPIPITP-KBRIMQKVSA-N	1	0	369.469	1.337	20	30		FDEDRO
C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC2CC3(CC(NCC#N)C3)C2)CC1	ZINC000963816383	1012732579	/nfs/dbraw/zinc/73/25/79/1012732579.db2.gz	YWQUTLUTBBAPMC-INFDXNDLSA-N	1	0	360.502	1.274	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1	ZINC000961745127	1012789704	/nfs/dbraw/zinc/78/97/04/1012789704.db2.gz	OJFFAYLCBXMULY-IGKNDFSCSA-N	1	0	361.486	1.169	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1	ZINC000961846723	1012934528	/nfs/dbraw/zinc/93/45/28/1012934528.db2.gz	MYYUUPUMWMNYPU-MUJBESKKSA-N	1	0	367.449	1.703	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)CC2)CC[N@@H+]1C	ZINC000963953025	1013002347	/nfs/dbraw/zinc/00/23/47/1013002347.db2.gz	XTDSSATWLOJSFN-MUIFIZLQSA-N	1	0	371.485	1.631	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000192344528	178110838	/nfs/dbraw/zinc/11/08/38/178110838.db2.gz	PCQSCHWKOHPERV-QZTJIDSGSA-N	1	0	369.469	1.443	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N(C)C[C@H]3CCC[N@H+](C)C3)CC2)o1	ZINC000193275079	178155274	/nfs/dbraw/zinc/15/52/74/178155274.db2.gz	UVRYYOFNINXJMB-HNNXBMFYSA-N	1	0	359.474	1.871	20	30		FDEDRO
C[C@H]1CCNC(=O)[C@@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000193643689	178174741	/nfs/dbraw/zinc/17/47/41/178174741.db2.gz	CJSOMWFSHBSFCG-MEDUHNTESA-N	1	0	360.483	1.941	20	30		FDEDRO
CC(C)C[C@@H](C[NH3+])NS(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000236673636	178278980	/nfs/dbraw/zinc/27/89/80/178278980.db2.gz	ITEOILXJSHZORW-LBPRGKRZSA-N	1	0	360.277	1.972	20	30		FDEDRO
Cc1nc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)ccc1C#N	ZINC000245601243	178369807	/nfs/dbraw/zinc/36/98/07/178369807.db2.gz	VRQPFRNYNMHIMO-AZUAARDMSA-N	1	0	364.449	1.875	20	30		FDEDRO
N#Cc1ccccc1S(=O)(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1	ZINC000245614286	178371035	/nfs/dbraw/zinc/37/10/35/178371035.db2.gz	LAZRXZOBKXERQP-ZWKOTPCHSA-N	1	0	371.462	1.472	20	30		FDEDRO
COc1ccc(Cn2nc(C)c(C[NH2+]CCn3cnc(C#N)n3)c2C)cc1	ZINC000512903994	538982502	/nfs/dbraw/zinc/98/25/02/538982502.db2.gz	KTQPLRFEEDHBMR-UHFFFAOYSA-N	1	0	365.441	1.810	20	30		FDEDRO
CCOc1ccccc1[C@@H](CC(=O)NC1(C#N)CC[NH+](C)CC1)NC(C)=O	ZINC000517581512	539372624	/nfs/dbraw/zinc/37/26/24/539372624.db2.gz	RGGORVBENSDFFW-QGZVFWFLSA-N	1	0	372.469	1.757	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1	ZINC000517583264	539372886	/nfs/dbraw/zinc/37/28/86/539372886.db2.gz	WKKOWBBSJSCODO-SJORKVTESA-N	1	0	363.483	1.508	20	30		FDEDRO
C[C@H](C(=O)Nc1ccccc1C#N)N1CCC(C(=O)NCC[NH+](C)C)CC1	ZINC000264156602	179037297	/nfs/dbraw/zinc/03/72/97/179037297.db2.gz	VCERXMHQGAHBBL-OAHLLOKOSA-N	1	0	371.485	1.275	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000268191215	180020815	/nfs/dbraw/zinc/02/08/15/180020815.db2.gz	PQVBQLDJQQQJQX-MLGOLLRUSA-N	1	0	356.426	1.494	20	30		FDEDRO
C[C@H]1C[NH+](CC2CCN(C(=O)Cc3ccc(C#N)nc3)CC2)C[C@H](C)O1	ZINC000528361935	539753263	/nfs/dbraw/zinc/75/32/63/539753263.db2.gz	CWTXCJHCCXFNCS-HOTGVXAUSA-N	1	0	356.470	1.844	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C#N)cc1Cl	ZINC000269089158	180213002	/nfs/dbraw/zinc/21/30/02/180213002.db2.gz	KBIIOMUMHAJHLF-UHFFFAOYSA-N	1	0	352.822	1.235	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1C#N	ZINC000269372895	180286877	/nfs/dbraw/zinc/28/68/77/180286877.db2.gz	JGCWLDRKFUZFTG-SUMWQHHRSA-N	1	0	370.453	1.883	20	30		FDEDRO
CC1(C)CN=C(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)S1	ZINC000269813233	180396307	/nfs/dbraw/zinc/39/63/07/180396307.db2.gz	MTAQFEAPPYNIAB-UHFFFAOYSA-N	1	0	364.496	1.746	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O	ZINC000530232949	539916285	/nfs/dbraw/zinc/91/62/85/539916285.db2.gz	MWNHBYVFKPBWHO-ROUUACIJSA-N	1	0	369.396	1.832	20	30		FDEDRO
N#Cc1ccc(Cl)cc1NC(=O)CN1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO	ZINC000934262297	781931924	/nfs/dbraw/zinc/93/19/24/781931924.db2.gz	WGJQBBKXZLYIDF-DLBZAZTESA-N	1	0	362.861	1.681	20	30		FDEDRO
CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CC(=O)N(CCC#N)CCC#N)C1	ZINC000532097828	540137743	/nfs/dbraw/zinc/13/77/43/540137743.db2.gz	RCVFATOWCPOKGM-IRXDYDNUSA-N	1	0	361.490	1.659	20	30		FDEDRO
Cc1nc(C)n(C[C@@H]2CN(CCC(=O)Nc3ccccc3C#N)CCO2)n1	ZINC000533441261	540247436	/nfs/dbraw/zinc/24/74/36/540247436.db2.gz	QHVZSYTWZLDCSS-KRWDZBQOSA-N	1	0	368.441	1.496	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)n(CCC#N)n1	ZINC000533455833	540250179	/nfs/dbraw/zinc/25/01/79/540250179.db2.gz	JBRVAXXEASSEKA-UKRRQHHQSA-N	1	0	360.462	1.280	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)n(CCC#N)n1	ZINC000534503859	540374735	/nfs/dbraw/zinc/37/47/35/540374735.db2.gz	ZBHGKFWZAMFLHZ-INIZCTEOSA-N	1	0	372.473	1.234	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cc3ccccc3[nH]c2=O)c1C#N	ZINC000536300627	540577032	/nfs/dbraw/zinc/57/70/32/540577032.db2.gz	OADBBTFYMQAYKD-UHFFFAOYSA-N	1	0	364.409	1.868	20	30		FDEDRO
CS[C@H]1CN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C[C@H]1[NH+](C)C	ZINC000536333491	540579898	/nfs/dbraw/zinc/57/98/98/540579898.db2.gz	MWESAFFXSIZMOP-CVEARBPZSA-N	1	0	370.482	1.444	20	30		FDEDRO
C[C@@]1(c2ccc(C[NH2+]Cc3cnc4ccc(C#N)cn34)cc2)NC(=O)NC1=O	ZINC000538396750	540853052	/nfs/dbraw/zinc/85/30/52/540853052.db2.gz	YFTZBMYLIQIDTG-FQEVSTJZSA-N	1	0	374.404	1.550	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)cc2C1=O	ZINC000538713991	540884184	/nfs/dbraw/zinc/88/41/84/540884184.db2.gz	BKRQHOZAHHUVMR-GUYCJALGSA-N	1	0	353.422	1.635	20	30		FDEDRO
N#CCCCS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000538758617	540888896	/nfs/dbraw/zinc/88/88/96/540888896.db2.gz	ACGJKHDAVXMXJW-IAGOWNOFSA-N	1	0	351.472	1.093	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+]CCN3CCN(C(=O)C4CCC4)CC3)n2c1	ZINC000539501940	540967439	/nfs/dbraw/zinc/96/74/39/540967439.db2.gz	JCHWDGLFNSZHQZ-UHFFFAOYSA-N	1	0	366.469	1.240	20	30		FDEDRO
CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000539922398	541007609	/nfs/dbraw/zinc/00/76/09/541007609.db2.gz	TUXLRJOPSMZQLT-MRXNPFEDSA-N	1	0	370.457	1.149	20	30		FDEDRO
C[N@H+]1CC=C(CNC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1	ZINC000540567618	541075741	/nfs/dbraw/zinc/07/57/41/541075741.db2.gz	MJYDPZUMGRVLKE-UHFFFAOYSA-N	1	0	374.444	1.798	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C	ZINC000540971686	541127226	/nfs/dbraw/zinc/12/72/26/541127226.db2.gz	HCCZIBQNJHQFLS-HNNXBMFYSA-N	1	0	363.510	1.804	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)C[C@@H]1[NH+]1CCCC1	ZINC000275540901	181346057	/nfs/dbraw/zinc/34/60/57/181346057.db2.gz	ZHJVJAIMFLCGCC-LSDHHAIUSA-N	1	0	352.485	1.154	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1	ZINC000542133653	541344745	/nfs/dbraw/zinc/34/47/45/541344745.db2.gz	LDOYNCILYXWRQO-IIYDPXPESA-N	1	0	366.487	1.428	20	30		FDEDRO
NC(=O)C1(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CCOCC1	ZINC000269610959	674110727	/nfs/dbraw/zinc/11/07/27/674110727.db2.gz	KJCLNRNCJMDTAN-UHFFFAOYSA-N	1	0	360.336	1.594	20	30		FDEDRO
C[NH+](C)[C@@]1(CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)CCSC1	ZINC000282586287	182028035	/nfs/dbraw/zinc/02/80/35/182028035.db2.gz	CPANFANUIJLLKK-GOSISDBHSA-N	1	0	355.467	1.911	20	30		FDEDRO
C[N@@H+]1CCN(CCNS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1(C)C	ZINC000282565303	182026016	/nfs/dbraw/zinc/02/60/16/182026016.db2.gz	OMMHXFHYZOKUCH-UHFFFAOYSA-N	1	0	370.906	1.516	20	30		FDEDRO
CC1CC[NH+](CCCNC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)CC1	ZINC000283673832	182247721	/nfs/dbraw/zinc/24/77/21/182247721.db2.gz	ZCAPJSXTGJRXTJ-UHFFFAOYSA-N	1	0	356.470	1.755	20	30		FDEDRO
CC[NH+](CC)CCNC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000283678819	182248748	/nfs/dbraw/zinc/24/87/48/182248748.db2.gz	FXFGAMHSRMZOKE-UHFFFAOYSA-N	1	0	372.469	1.386	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C	ZINC000283848802	182292222	/nfs/dbraw/zinc/29/22/22/182292222.db2.gz	FPGMXTULZVKAPX-LJQANCHMSA-N	1	0	364.449	1.936	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1	ZINC000545296467	541928212	/nfs/dbraw/zinc/92/82/12/541928212.db2.gz	WCMBCAKOBODETF-HUUCEWRRSA-N	1	0	372.469	1.990	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1CC[N@H+](Cc2ccccc2)[C@@H](CC)C1	ZINC000545397450	541958680	/nfs/dbraw/zinc/95/86/80/541958680.db2.gz	MGRFEMRBUXAULJ-AEFFLSMTSA-N	1	0	358.486	1.983	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)C(=O)N(Cc1ccc(C#N)cc1)C(C)C	ZINC000284136987	182375290	/nfs/dbraw/zinc/37/52/90/182375290.db2.gz	PYEFEJPFBRAYBD-UHFFFAOYSA-N	1	0	374.485	1.380	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)c1ccc(C#N)cc1	ZINC000284136245	182375426	/nfs/dbraw/zinc/37/54/26/182375426.db2.gz	WEHHDNSDQOCLEB-HNNXBMFYSA-N	1	0	372.469	1.041	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1	ZINC000284142228	182377876	/nfs/dbraw/zinc/37/78/76/182377876.db2.gz	WRJAHAPGGNPHHQ-OWCLPIDISA-N	1	0	356.470	1.972	20	30		FDEDRO
CCC(CC)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1OC)[NH+](C)C	ZINC000546003360	542072371	/nfs/dbraw/zinc/07/23/71/542072371.db2.gz	YBEUDVCHGNYLSX-INIZCTEOSA-N	1	0	360.458	1.988	20	30		FDEDRO
C[N@@H+]1CC[C@](O)(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)C1	ZINC000546569967	542166529	/nfs/dbraw/zinc/16/65/29/542166529.db2.gz	OTUUIJJHHWIXGC-NRFANRHFSA-N	1	0	365.433	1.934	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1	ZINC000546605880	542180699	/nfs/dbraw/zinc/18/06/99/542180699.db2.gz	COIHBRHKXVLELZ-GDBMZVCRSA-N	1	0	367.457	2.394	20	30		FDEDRO
CC[NH+](CC)[C@H](CNC(=O)NCCn1cnc(C#N)n1)c1ccsc1	ZINC000286572488	183100145	/nfs/dbraw/zinc/10/01/45/183100145.db2.gz	QPGDRZULGVQXIV-CQSZACIVSA-N	1	0	361.475	1.594	20	30		FDEDRO
C[C@@H]1CN(C[C@@H]2CCCN2S(=O)(=O)c2ccc(C#N)o2)C[C@H](C)O1	ZINC000286672037	183125496	/nfs/dbraw/zinc/12/54/96/183125496.db2.gz	PNRISBJATMOYML-MJBXVCDLSA-N	1	0	353.444	1.414	20	30		FDEDRO
C[NH+](C)CC1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CCCC1	ZINC000546781369	542224669	/nfs/dbraw/zinc/22/46/69/542224669.db2.gz	HORJLHFXUSKHDZ-UHFFFAOYSA-N	1	0	366.443	1.867	20	30		FDEDRO
CO[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C(C)C	ZINC000289845347	183571347	/nfs/dbraw/zinc/57/13/47/183571347.db2.gz	UYCFVIBYSMWETL-SFHVURJKSA-N	1	0	374.485	1.236	20	30		FDEDRO
C[C@H](CCNC(=O)C(=O)N(C)Cc1ccc(C#N)cc1)[NH+]1CCCCC1	ZINC000290528792	183666240	/nfs/dbraw/zinc/66/62/40/183666240.db2.gz	OBOPVFXQRXZLHR-MRXNPFEDSA-N	1	0	356.470	1.897	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1ccc(C#N)cn1	ZINC000294931047	184020642	/nfs/dbraw/zinc/02/06/42/184020642.db2.gz	XMWFRANHFNXOLR-UHFFFAOYSA-N	1	0	369.400	1.621	20	30		FDEDRO
COC[C@@]1(C(=O)OC)CC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000295114104	184034600	/nfs/dbraw/zinc/03/46/00/184034600.db2.gz	HYPJWWOTXIFAQS-FXAWDEMLSA-N	1	0	371.437	1.565	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCCN(CCCO)C3)CC2)cc1	ZINC000295187111	184043149	/nfs/dbraw/zinc/04/31/49/184043149.db2.gz	WTIKTZXJCDRGCM-OAQYLSRUSA-N	1	0	356.514	1.959	20	30		FDEDRO
CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000295371324	184063921	/nfs/dbraw/zinc/06/39/21/184063921.db2.gz	PTVPAETVZAFNMF-MJGOQNOKSA-N	1	0	372.469	1.726	20	30		FDEDRO
C[C@H](NC(=[NH2+])NCCCN1CCOCC1)c1ccc([S@@](C)=O)cc1	ZINC000270024607	674155639	/nfs/dbraw/zinc/15/56/39/674155639.db2.gz	BVHQDIJLXKAHAR-LFPIHBKWSA-N	1	0	352.504	1.112	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCn2ccnc2C1	ZINC000548005153	542516718	/nfs/dbraw/zinc/51/67/18/542516718.db2.gz	OAORCLFIHDXGMA-GOSISDBHSA-N	1	0	366.469	1.843	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)[C@H](C)C1	ZINC000119848475	258260456	/nfs/dbraw/zinc/26/04/56/258260456.db2.gz	GIDLOTVQOGMANT-UKRRQHHQSA-N	1	0	374.489	1.637	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1	ZINC000120745769	258261360	/nfs/dbraw/zinc/26/13/60/258261360.db2.gz	JGZQJRDZVQQGCF-UHFFFAOYSA-N	1	0	363.421	1.673	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NCC#Cc2cccc(F)c2)CC1	ZINC000549209572	542853095	/nfs/dbraw/zinc/85/30/95/542853095.db2.gz	STSJQDLFRCNIIR-FQEVSTJZSA-N	1	0	372.488	1.989	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N(C)CCC#N)cc2)CC1	ZINC000549296788	542863710	/nfs/dbraw/zinc/86/37/10/542863710.db2.gz	FBOCNPNUTLHFLX-UHFFFAOYSA-N	1	0	357.458	1.135	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2OCCN(Cc3nnc(-c4cccc(C#N)c4)o3)[C@H]2C1	ZINC000549832936	542950921	/nfs/dbraw/zinc/95/09/21/542950921.db2.gz	QQYGBCNBZMUNFJ-DLBZAZTESA-N	1	0	353.426	1.903	20	30		FDEDRO
COc1cccc([C@H](CNC(=O)C(=O)N2CCC(C#N)CC2)[NH+](C)C)c1	ZINC000549988017	542983487	/nfs/dbraw/zinc/98/34/87/542983487.db2.gz	NQRWQCYMQNNUIB-KRWDZBQOSA-N	1	0	358.442	1.176	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCC(C)CC1	ZINC000550103355	543007067	/nfs/dbraw/zinc/00/70/67/543007067.db2.gz	KGIJSPCGRPCMBB-IRXDYDNUSA-N	1	0	351.491	1.322	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N(C[C@H](O)CC(C)(C)C)C1CC[NH+](C)CC1	ZINC000550429148	543099417	/nfs/dbraw/zinc/09/94/17/543099417.db2.gz	UWGHTEHRMHMJSX-MRXNPFEDSA-N	1	0	374.551	1.270	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000551058515	543226366	/nfs/dbraw/zinc/22/63/66/543226366.db2.gz	PQZCJCKSQWBFSL-LJQANCHMSA-N	1	0	372.513	1.516	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCO[C@@H](CC)C1)C(C)C	ZINC000551222738	543254527	/nfs/dbraw/zinc/25/45/27/543254527.db2.gz	UBGLZNUWHJHLDV-IRXDYDNUSA-N	1	0	351.491	1.439	20	30		FDEDRO
CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1	ZINC000551657611	543318383	/nfs/dbraw/zinc/31/83/83/543318383.db2.gz	PMLPGZCZLJVEAM-INIZCTEOSA-N	1	0	371.485	1.312	20	30		FDEDRO
C[C@H](CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C[NH+](C)C	ZINC000552884431	543532445	/nfs/dbraw/zinc/53/24/45/543532445.db2.gz	WCQCDMNWSAHOEP-CZUORRHYSA-N	1	0	371.441	1.077	20	30		FDEDRO
CC(C)[C@@H](CNS(=O)(=O)c1ccccc1C#N)N1CC[NH+](C)CC1	ZINC000049737025	171933580	/nfs/dbraw/zinc/93/35/80/171933580.db2.gz	QLKXUJRZKMBXQH-MRXNPFEDSA-N	1	0	350.488	1.109	20	30		FDEDRO
CC[C@@H]1C[N@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCS1	ZINC000072862947	172051932	/nfs/dbraw/zinc/05/19/32/172051932.db2.gz	QCLTZRLTPIJFQD-CQSZACIVSA-N	1	0	363.487	1.331	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]([NH+](CC)CC)C1	ZINC000076667322	172114674	/nfs/dbraw/zinc/11/46/74/172114674.db2.gz	SDFXUZANCSAHOJ-HNNXBMFYSA-N	1	0	358.442	1.838	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H](CN2CCOCC2)C1	ZINC000077312188	172124690	/nfs/dbraw/zinc/12/46/90/172124690.db2.gz	BYXVEEFOUATXCO-SFHVURJKSA-N	1	0	359.470	1.990	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)C[NH+]1CCCCC1	ZINC000091209369	172277874	/nfs/dbraw/zinc/27/78/74/172277874.db2.gz	FVOYZGRVQAZSIL-CQSZACIVSA-N	1	0	374.489	1.686	20	30		FDEDRO
CC[NH+]1CCC(CCNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1	ZINC000091240169	172280498	/nfs/dbraw/zinc/28/04/98/172280498.db2.gz	LTYLHUSAMPJNQA-UHFFFAOYSA-N	1	0	374.489	1.686	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)n1	ZINC000091239053	172280624	/nfs/dbraw/zinc/28/06/24/172280624.db2.gz	XLIVIVOGMAVNQM-CQSZACIVSA-N	1	0	358.446	1.218	20	30		FDEDRO
Cn1cnc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000091791552	172287777	/nfs/dbraw/zinc/28/77/77/172287777.db2.gz	FLUGTFSHJLSJBD-UHFFFAOYSA-N	1	0	353.430	1.104	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)cc1	ZINC000102427012	172349737	/nfs/dbraw/zinc/34/97/37/172349737.db2.gz	DPUHOLZDNAESJF-UHFFFAOYSA-N	1	0	350.426	1.177	20	30		FDEDRO
COCCN(CC[NH+](C)C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000105237128	172399990	/nfs/dbraw/zinc/39/99/90/172399990.db2.gz	DAABFYFLFHHGPU-UHFFFAOYSA-N	1	0	374.489	1.142	20	30		FDEDRO
CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2cc(C#N)ccc2C)CC1	ZINC000173458862	258300345	/nfs/dbraw/zinc/30/03/45/258300345.db2.gz	IAKASBUFTGFRQN-OAHLLOKOSA-N	1	0	364.515	1.419	20	30		FDEDRO
C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000124831111	172982876	/nfs/dbraw/zinc/98/28/76/172982876.db2.gz	DZCBKFQOAZUOIZ-GFCCVEGCSA-N	1	0	358.261	1.693	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H](C1CC1)[NH+]1CCCC1	ZINC000127851041	173092374	/nfs/dbraw/zinc/09/23/74/173092374.db2.gz	GAYGTTBYOJKXNX-WMLDXEAASA-N	1	0	354.458	1.260	20	30		FDEDRO
N#Cc1cccc(OCCC[NH+]2CCC(N3CCC[C@H]3C(N)=O)CC2)c1	ZINC000131398903	173200931	/nfs/dbraw/zinc/20/09/31/173200931.db2.gz	RTKDECPRRXZNEI-IBGZPJMESA-N	1	0	356.470	1.741	20	30		FDEDRO
CCCNc1ccc(C#N)cc1NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1	ZINC000131595152	173208746	/nfs/dbraw/zinc/20/87/46/173208746.db2.gz	HXCKPDFFKCIWGK-OAHLLOKOSA-N	1	0	357.458	1.729	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c(F)c1	ZINC000136448631	173361387	/nfs/dbraw/zinc/36/13/87/173361387.db2.gz	RXGATZTVWDPCQU-OAHLLOKOSA-N	1	0	358.417	1.970	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2cccc(C#N)c2)CC1	ZINC000136785629	173365061	/nfs/dbraw/zinc/36/50/61/173365061.db2.gz	INODYQUNECGUBM-KRWDZBQOSA-N	1	0	355.442	1.006	20	30		FDEDRO
CC[NH+](CC)CCN(CCOC)C(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000175978746	174041890	/nfs/dbraw/zinc/04/18/90/174041890.db2.gz	CLWUOOKCKCYINO-UHFFFAOYSA-N	1	0	364.421	1.453	20	30		FDEDRO
CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000176918186	174094737	/nfs/dbraw/zinc/09/47/37/174094737.db2.gz	CRHRVAKEFCFWSZ-AWEZNQCLSA-N	1	0	366.849	1.623	20	30		FDEDRO
N#Cc1nc(N)n(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1C#N	ZINC000179765720	258357805	/nfs/dbraw/zinc/35/78/05/258357805.db2.gz	FBHWRXGWLFBWIP-UHFFFAOYSA-N	1	0	363.425	1.121	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)CCOCC1	ZINC000281100528	258640956	/nfs/dbraw/zinc/64/09/56/258640956.db2.gz	ALEIVZRKTLPETL-UHFFFAOYSA-N	1	0	353.426	1.585	20	30		FDEDRO
CC[C@@H]1CN(CCNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CCO1	ZINC000553207445	543587559	/nfs/dbraw/zinc/58/75/59/543587559.db2.gz	KUJXYBZUKVJUIX-IAGOWNOFSA-N	1	0	374.460	1.751	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H](CCOC)C2)CC1	ZINC000553330671	543611386	/nfs/dbraw/zinc/61/13/86/543611386.db2.gz	PNGHXMTVUWYEPF-MRXNPFEDSA-N	1	0	351.491	1.418	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@]3(CCCOC3)C2)CC1	ZINC000553373432	543621902	/nfs/dbraw/zinc/62/19/02/543621902.db2.gz	BFLKVYUHFQZWLA-HXUWFJFHSA-N	1	0	363.502	1.562	20	30		FDEDRO
CC1CC[NH+]([C@H](CNC(=O)NCC(=O)NCC#N)c2cccs2)CC1	ZINC000557750905	544341529	/nfs/dbraw/zinc/34/15/29/544341529.db2.gz	QQPWMAABVILJJV-CQSZACIVSA-N	1	0	363.487	1.460	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CCCC(=O)NC[C@]1(O)C[NH+]2CCC1CC2	ZINC000558031028	544375442	/nfs/dbraw/zinc/37/54/42/544375442.db2.gz	JVRHEFYMPQYIIO-FQEVSTJZSA-N	1	0	370.453	1.240	20	30		FDEDRO
N#CC1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC1	ZINC000559684844	544764452	/nfs/dbraw/zinc/76/44/52/544764452.db2.gz	ZZCOTJPRPOMFHB-UHFFFAOYSA-N	1	0	372.444	1.668	20	30		FDEDRO
CN1CCC[C@@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1=O	ZINC000560243869	544925634	/nfs/dbraw/zinc/92/56/34/544925634.db2.gz	MOZUBGMCDOQULO-KRWDZBQOSA-N	1	0	354.454	1.529	20	30		FDEDRO
C=CCn1c([C@H]2COCCO2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1	ZINC000560353180	544970520	/nfs/dbraw/zinc/97/05/20/544970520.db2.gz	WHDXUVLJMWMUBK-NVXWUHKLSA-N	1	0	361.490	1.863	20	30		FDEDRO
Cn1c(N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c(C#N)c(=O)n(C)c1=O	ZINC000301841402	259034178	/nfs/dbraw/zinc/03/41/78/259034178.db2.gz	BTZFJPJOOMMIBM-LSDHHAIUSA-N	1	0	373.844	1.466	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)C1=O	ZINC000328824989	259060434	/nfs/dbraw/zinc/06/04/34/259060434.db2.gz	PWMVKZQQPOMWET-FZKCQIBNSA-N	1	0	361.467	1.587	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1	ZINC000329123270	259079015	/nfs/dbraw/zinc/07/90/15/259079015.db2.gz	XCSNGUIEIKSXCP-IRXDYDNUSA-N	1	0	370.497	1.952	20	30		FDEDRO
C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)[N@@H+]1CCC[C@H](C)C1	ZINC000331287464	259185746	/nfs/dbraw/zinc/18/57/46/259185746.db2.gz	UPIUADXETJUZQS-QWHCGFSZSA-N	1	0	366.443	1.865	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccccc1C#N)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1	ZINC000332086094	259240389	/nfs/dbraw/zinc/24/03/89/259240389.db2.gz	QZLSDMUSPXFONL-SJORKVTESA-N	1	0	369.513	1.986	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1	ZINC000332107574	259242019	/nfs/dbraw/zinc/24/20/19/259242019.db2.gz	ZVXOSQPIAPTAAS-IAGOWNOFSA-N	1	0	369.513	1.986	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@H](C)C(C)(C)C3)CC2)o1	ZINC000332309719	259256666	/nfs/dbraw/zinc/25/66/66/259256666.db2.gz	NUDDMSJSOVAZIE-AWEZNQCLSA-N	1	0	359.474	1.871	20	30		FDEDRO
CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000332505829	259271600	/nfs/dbraw/zinc/27/16/00/259271600.db2.gz	XRHUCIAMMMUYQL-UHFFFAOYSA-N	1	0	352.416	1.571	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C	ZINC000332568593	259277965	/nfs/dbraw/zinc/27/79/65/259277965.db2.gz	CAFISTCSJZRLKY-KGLIPLIRSA-N	1	0	354.458	1.701	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000333071550	259305824	/nfs/dbraw/zinc/30/58/24/259305824.db2.gz	AASNAMAUHYZVFN-OCCSQVGLSA-N	1	0	360.483	1.941	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1	ZINC000333920072	259394076	/nfs/dbraw/zinc/39/40/76/259394076.db2.gz	PQBXVKOIWVCNNS-BRWVUGGUSA-N	1	0	354.458	1.173	20	30		FDEDRO
CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000365074232	259810066	/nfs/dbraw/zinc/81/00/66/259810066.db2.gz	VFTQYEUTELZBFW-RBUKOAKNSA-N	1	0	368.481	1.849	20	30		FDEDRO
C[NH+](C)CC1CCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1	ZINC000365099010	259812495	/nfs/dbraw/zinc/81/24/95/259812495.db2.gz	WMXQPMCLCRFWST-LJQANCHMSA-N	1	0	368.481	1.849	20	30		FDEDRO
C[C@@H]1C[C@@H](CNC(=O)NCCn2cnc(C#N)n2)C[N@@H+]1Cc1ccccc1	ZINC000367736858	260083426	/nfs/dbraw/zinc/08/34/26/260083426.db2.gz	FWHACSNXTZNZSF-WBVHZDCISA-N	1	0	367.457	1.360	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCCN(C(=O)[C@H]3CCCO3)CC2)cc1	ZINC000368909403	260258720	/nfs/dbraw/zinc/25/87/20/260258720.db2.gz	IHEHPCZCBASLHY-PKOBYXMFSA-N	1	0	373.453	1.011	20	30		FDEDRO
C[NH+]1CCC(N2CC[C@H](NC(=O)CSc3ccc(C#N)cc3)C2)CC1	ZINC000369268781	260327635	/nfs/dbraw/zinc/32/76/35/260327635.db2.gz	UQZHMJCPFDJGJU-INIZCTEOSA-N	1	0	358.511	1.935	20	30		FDEDRO
Cc1ccc(N2CC[C@H]([NH+]3CCC(n4cnc(C#N)n4)CC3)C2=O)cc1	ZINC000369389272	260354227	/nfs/dbraw/zinc/35/42/27/260354227.db2.gz	NLZRAIRWJJSKJQ-KRWDZBQOSA-N	1	0	350.426	1.901	20	30		FDEDRO
C[C@H]1Cc2ccccc2N1C(=O)C[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000369389888	260355127	/nfs/dbraw/zinc/35/51/27/260355127.db2.gz	UICYMXLZBKVOIS-AWEZNQCLSA-N	1	0	350.426	1.764	20	30		FDEDRO
COc1cc(C[NH+]2CCC(n3cnc(C#N)n3)CC2)cc2c1OCCO2	ZINC000373483133	261014061	/nfs/dbraw/zinc/01/40/61/261014061.db2.gz	ILPSNNQBFKBGAQ-UHFFFAOYSA-N	1	0	355.398	1.767	20	30		FDEDRO
C[C@H](CNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1)C[NH+]1CCCC1	ZINC000373699257	261032295	/nfs/dbraw/zinc/03/22/95/261032295.db2.gz	HQOFVWIGQLLSSF-VQIMIIECSA-N	1	0	368.481	1.897	20	30		FDEDRO
C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1	ZINC000373702077	261032462	/nfs/dbraw/zinc/03/24/62/261032462.db2.gz	WFDCTISQKZEOKB-QZTJIDSGSA-N	1	0	354.454	1.459	20	30		FDEDRO
N#Cc1cc2c(nc1N1CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC1)CCCC2	ZINC000373797085	261041629	/nfs/dbraw/zinc/04/16/29/261041629.db2.gz	ZITZYZIZYBQBLI-KRWDZBQOSA-N	1	0	374.510	1.578	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3OCC(=O)N[C@@H]3C2)cc1Cl	ZINC000373968068	261059381	/nfs/dbraw/zinc/05/93/81/261059381.db2.gz	JOLDXEGBTVRZJL-CABCVRRESA-N	1	0	362.817	1.130	20	30		FDEDRO
C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)C1CCN(c2cccnn2)CC1	ZINC000374546193	261151097	/nfs/dbraw/zinc/15/10/97/261151097.db2.gz	RLVKGJSCHZORFO-GOSISDBHSA-N	1	0	367.453	1.689	20	30		FDEDRO
CN1CC[NH+](CC2(C)CCN(c3nccc(C#N)c3[N+](=O)[O-])CC2)CC1	ZINC000374932607	261229724	/nfs/dbraw/zinc/22/97/24/261229724.db2.gz	WDLTYWCXWOXANP-UHFFFAOYSA-N	1	0	358.446	1.715	20	30		FDEDRO
N#Cc1ccc(OCCC[NH+]2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)cc1	ZINC000375239915	261295923	/nfs/dbraw/zinc/29/59/23/261295923.db2.gz	LUNOWGJBSZMSLP-RBUKOAKNSA-N	1	0	357.454	1.930	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1(S(C)(=O)=O)CC1	ZINC000375602319	261380614	/nfs/dbraw/zinc/38/06/14/261380614.db2.gz	GOERXMBDCIWOBD-CZUORRHYSA-N	1	0	361.467	1.609	20	30		FDEDRO
C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000375637464	261387466	/nfs/dbraw/zinc/38/74/66/261387466.db2.gz	UOQHIDMFWOMNBR-QWHCGFSZSA-N	1	0	364.427	1.714	20	30		FDEDRO
C[NH+](C)CCOC1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1	ZINC000409703841	262134527	/nfs/dbraw/zinc/13/45/27/262134527.db2.gz	BQRAIEXOWKSAQI-UHFFFAOYSA-N	1	0	367.453	1.927	20	30		FDEDRO
C[C@H](C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)n1cnc(C#N)n1	ZINC000409924464	262145313	/nfs/dbraw/zinc/14/53/13/262145313.db2.gz	TWYHTHWUQLAWSR-UXLLHSPISA-N	1	0	352.442	1.738	20	30		FDEDRO
C#CC(C)(C)N(C)CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000286294216	675894134	/nfs/dbraw/zinc/89/41/34/675894134.db2.gz	VHUFEAGUOVOWQW-UHFFFAOYSA-N	1	0	363.483	1.753	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(Cl)cn2C)C[C@H]1C	ZINC001104401270	782132646	/nfs/dbraw/zinc/13/26/46/782132646.db2.gz	BMOWILQROLRKKF-ZIAGYGMSSA-N	1	0	366.893	1.669	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)Nc1ccn(CCC#N)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000513604812	490740351	/nfs/dbraw/zinc/74/03/51/490740351.db2.gz	XTINZGXPWAYHMI-HUUCEWRRSA-N	1	0	372.473	1.504	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)Nc1ccn(CCC#N)n1)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000513604810	490740480	/nfs/dbraw/zinc/74/04/80/490740480.db2.gz	XTINZGXPWAYHMI-CABCVRRESA-N	1	0	372.473	1.504	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)nn1CCC#N	ZINC000504605450	490806214	/nfs/dbraw/zinc/80/62/14/490806214.db2.gz	JOPDPZFNLFJWFR-UHFFFAOYSA-N	1	0	360.462	1.424	20	30		FDEDRO
CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1	ZINC000615422165	492089421	/nfs/dbraw/zinc/08/94/21/492089421.db2.gz	NUKPXAJETRNGNU-AWEZNQCLSA-N	1	0	360.462	1.437	20	30		FDEDRO
Cn1cc(C#N)c(NC(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)n1	ZINC000610562695	492251919	/nfs/dbraw/zinc/25/19/19/492251919.db2.gz	CBVHDTXGNDEGLS-UHFFFAOYSA-N	1	0	359.478	1.364	20	30		FDEDRO
Cn1cc(C#N)c(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)n1	ZINC000610876683	492265973	/nfs/dbraw/zinc/26/59/73/492265973.db2.gz	OSTGVUMPGGYBOA-DOTOQJQBSA-N	1	0	368.441	1.296	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC2CC[NH+](CC)CC2)cc1	ZINC000014523973	518693412	/nfs/dbraw/zinc/69/34/12/518693412.db2.gz	UZRUBZGXKKTCDG-UHFFFAOYSA-N	1	0	351.472	1.365	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC1CC[NH+](C2CC2)CC1	ZINC000025085544	519037373	/nfs/dbraw/zinc/03/73/73/519037373.db2.gz	ZKPUAPRCSPFULQ-UHFFFAOYSA-N	1	0	366.469	1.893	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc1	ZINC000029448792	519293554	/nfs/dbraw/zinc/29/35/54/519293554.db2.gz	URXDGNROCJEGIH-UHFFFAOYSA-N	1	0	360.421	1.976	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1	ZINC000029608891	519302007	/nfs/dbraw/zinc/30/20/07/519302007.db2.gz	DXFWJOHTQVWQME-UHFFFAOYSA-N	1	0	364.471	1.093	20	30		FDEDRO
CC[N@H+](CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C1CC1	ZINC000029914455	519331880	/nfs/dbraw/zinc/33/18/80/519331880.db2.gz	SVUOXJOOJWDSDX-UHFFFAOYSA-N	1	0	369.425	1.939	20	30		FDEDRO
CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sccc1C#N	ZINC000030589566	519382023	/nfs/dbraw/zinc/38/20/23/519382023.db2.gz	UQCGRYWSPJZZTE-CYBMUJFWSA-N	1	0	370.500	1.352	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NC3CC[NH+](C4CC4)CC3)cc2C1=O	ZINC000043937485	521911336	/nfs/dbraw/zinc/91/13/36/521911336.db2.gz	FGTDFODPLSSGFD-UHFFFAOYSA-N	1	0	353.422	1.825	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1	ZINC000069857219	521962950	/nfs/dbraw/zinc/96/29/50/521962950.db2.gz	VTMDNKZMMHUBNJ-GOSISDBHSA-N	1	0	356.470	1.931	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)NC3CC[NH+](C4CC4)CC3)CC2)c1	ZINC000045410011	522087287	/nfs/dbraw/zinc/08/72/87/522087287.db2.gz	VXACTTGAHWHMGC-UHFFFAOYSA-N	1	0	354.458	1.412	20	30		FDEDRO
N#CCSCCC[NH+]1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1	ZINC000072513523	522309977	/nfs/dbraw/zinc/30/99/77/522309977.db2.gz	NGSRMGXYPDZPHC-UHFFFAOYSA-N	1	0	357.483	1.688	20	30		FDEDRO
C[C@@H]1CCC[C@@H](NC(=O)CN2CC[NH+](CCCSCC#N)CC2)C1	ZINC000072517902	522314181	/nfs/dbraw/zinc/31/41/81/522314181.db2.gz	ZYKLIPAIQIEILV-IAGOWNOFSA-N	1	0	352.548	1.946	20	30		FDEDRO
CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1	ZINC000072560664	522324592	/nfs/dbraw/zinc/32/45/92/522324592.db2.gz	DREPOTJTUSERPE-MRXNPFEDSA-N	1	0	364.471	1.291	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCC[NH+]2CCC(C)CC2)cc1	ZINC000047120010	522450232	/nfs/dbraw/zinc/45/02/32/522450232.db2.gz	BMEFQEGVPXWLTR-UHFFFAOYSA-N	1	0	365.499	1.613	20	30		FDEDRO
C#CCCNC(=O)C(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1	ZINC000073085418	522461862	/nfs/dbraw/zinc/46/18/62/522461862.db2.gz	MRMWZYLLYJFNDZ-UHFFFAOYSA-N	1	0	362.861	1.560	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1	ZINC000047423299	522517609	/nfs/dbraw/zinc/51/76/09/522517609.db2.gz	LUDCPCPHCGWTEV-INIZCTEOSA-N	1	0	357.454	1.896	20	30		FDEDRO
CC[NH+]=C(NCc1ccsc1)N1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000073775682	522603927	/nfs/dbraw/zinc/60/39/27/522603927.db2.gz	QHCUETXCKHULNU-OAHLLOKOSA-N	1	0	350.488	1.537	20	30		FDEDRO
Cc1nc2ncnn2c(C)c1CCC(=O)N(CCC#N)CCC[NH+](C)C	ZINC000064361638	522706739	/nfs/dbraw/zinc/70/67/39/522706739.db2.gz	VORSJYPANOILOM-UHFFFAOYSA-N	1	0	357.462	1.368	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CCn1ncc(=O)c2ccccc21	ZINC000064381130	522708719	/nfs/dbraw/zinc/70/87/19/522708719.db2.gz	ABSJWXAPURTDEW-UHFFFAOYSA-N	1	0	355.442	1.481	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)COc3ccc(C#N)cc3)ccn2)CC1	ZINC000048329309	522716660	/nfs/dbraw/zinc/71/66/60/522716660.db2.gz	NYMVCEWREXZTSB-UHFFFAOYSA-N	1	0	365.437	1.400	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)Cc1ccccc1	ZINC000048833814	522786530	/nfs/dbraw/zinc/78/65/30/522786530.db2.gz	CGJNDCMQIQEAFY-SFHVURJKSA-N	1	0	350.422	1.786	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C	ZINC000050148114	522891773	/nfs/dbraw/zinc/89/17/73/522891773.db2.gz	OCUPQOWMXQPNRA-AWEZNQCLSA-N	1	0	358.442	1.886	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1	ZINC000050169660	522897522	/nfs/dbraw/zinc/89/75/22/522897522.db2.gz	ISHVHBUEIAQRRK-UHFFFAOYSA-N	1	0	370.453	1.982	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1	ZINC000050173250	522897668	/nfs/dbraw/zinc/89/76/68/522897668.db2.gz	FJGDCPSYACHFJK-UHFFFAOYSA-N	1	0	358.442	1.696	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CN1CCCCCC1=O	ZINC000065930086	522921734	/nfs/dbraw/zinc/92/17/34/522921734.db2.gz	ANLBQAFIKRYAAG-UHFFFAOYSA-N	1	0	356.470	1.851	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCC[N@@H+](C)[C@@H](C)CC)cc1	ZINC000066127208	522961347	/nfs/dbraw/zinc/96/13/47/522961347.db2.gz	BEOVETUFHOCNAO-AWEZNQCLSA-N	1	0	353.488	1.611	20	30		FDEDRO
N#Cc1ccc(OCCC[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1	ZINC000051530994	523035064	/nfs/dbraw/zinc/03/50/64/523035064.db2.gz	VKQUUMPJEQNZTG-GOSISDBHSA-N	1	0	357.454	1.898	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(Cc3ccccc3OC)CC2)CC1	ZINC000076227080	523048693	/nfs/dbraw/zinc/04/86/93/523048693.db2.gz	SJMDOOFJUGTJGQ-UHFFFAOYSA-N	1	0	355.482	1.685	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C#N)ccc2OCC)CC1	ZINC000076513171	523129724	/nfs/dbraw/zinc/12/97/24/523129724.db2.gz	HCRMWVWYHMAOGR-UHFFFAOYSA-N	1	0	356.426	1.662	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000076669808	523164803	/nfs/dbraw/zinc/16/48/03/523164803.db2.gz	PNFJUEAWJACORG-ZDUSSCGKSA-N	1	0	357.863	1.601	20	30		FDEDRO
Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NC3(C#N)CC[NH+](C)CC3)C2)cc1	ZINC000077039775	523240869	/nfs/dbraw/zinc/24/08/69/523240869.db2.gz	XTBMCBVYBBBIBD-GOSISDBHSA-N	1	0	368.481	1.951	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)NCCC[NH+]3CCCC3)CC2)cc1	ZINC000053560326	523466559	/nfs/dbraw/zinc/46/65/59/523466559.db2.gz	WLRSVAXWLSRJLF-UHFFFAOYSA-N	1	0	355.486	1.871	20	30		FDEDRO
Cc1cccc(NC(=O)[C@H]2CCC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)n1	ZINC000054204503	523592404	/nfs/dbraw/zinc/59/24/04/523592404.db2.gz	DGSLEQWRHFYLNS-HOTGVXAUSA-N	1	0	357.458	1.801	20	30		FDEDRO
Cc1nn(C)c(C)c1C(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000068310531	523755251	/nfs/dbraw/zinc/75/52/51/523755251.db2.gz	UCSSSMCTDLQFPZ-UHFFFAOYSA-N	1	0	367.453	1.682	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1	ZINC000079548631	523764476	/nfs/dbraw/zinc/76/44/76/523764476.db2.gz	KBRMPTWJTWCGGW-DLBZAZTESA-N	1	0	354.458	1.412	20	30		FDEDRO
CC1CC[NH+](C[C@H](O)CNC(=O)NCCOc2ccc(C#N)cc2)CC1	ZINC000080468850	523883630	/nfs/dbraw/zinc/88/36/30/523883630.db2.gz	OOOVDNJXDFAOKW-QGZVFWFLSA-N	1	0	360.458	1.329	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1	ZINC000156549241	524100832	/nfs/dbraw/zinc/10/08/32/524100832.db2.gz	QCIYTEBRHPPIBU-UKRRQHHQSA-N	1	0	351.472	1.350	20	30		FDEDRO
CCN(CCCNC(=O)CCNC(=O)C1N=CC=CC1=O)c1ccccc1	ZINC000172044576	524102012	/nfs/dbraw/zinc/10/20/12/524102012.db2.gz	BYGMFNRHBIWDET-VXPUYCOJSA-N	1	0	370.453	1.936	20	30		FDEDRO
C[NH+]1CCC(n2c(=O)/c(=C/c3ccsc3)sc2=C(C#N)C#N)CC1	ZINC000120945493	524106171	/nfs/dbraw/zinc/10/61/71/524106171.db2.gz	RBAMTCFNUBPLMN-NVNXTCNLSA-N	1	0	356.476	1.265	20	30		FDEDRO
N#CCCn1ccc(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)n1	ZINC000081419155	524123079	/nfs/dbraw/zinc/12/30/79/524123079.db2.gz	WBNCODYGJPGPKR-UHFFFAOYSA-N	1	0	353.430	1.343	20	30		FDEDRO
CN(c1ccc(NC(=O)C(=O)NCCCCC#N)cc1)C1CC[NH+](C)CC1	ZINC000172557985	524238904	/nfs/dbraw/zinc/23/89/04/524238904.db2.gz	XODIUTXZJPRXHQ-UHFFFAOYSA-N	1	0	371.485	1.966	20	30		FDEDRO
C=CC1CC[NH+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)CC1	ZINC000111260341	524239075	/nfs/dbraw/zinc/23/90/75/524239075.db2.gz	YYNUWAZLDPMLNQ-ZDUSSCGKSA-N	1	0	363.483	1.510	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@@H](N2CCC(C[NH+]3CCOCC3)CC2)C1=O	ZINC000083170534	524242051	/nfs/dbraw/zinc/24/20/51/524242051.db2.gz	WXJLBDUCTANCDM-QGZVFWFLSA-N	1	0	374.510	1.769	20	30		FDEDRO
CN(C(=O)C[N@H+](C)C1CCN(S(C)(=O)=O)CC1)C1(C#N)CCCCC1	ZINC000121399375	524245117	/nfs/dbraw/zinc/24/51/17/524245117.db2.gz	SJGBBFPCKAYZOS-UHFFFAOYSA-N	1	0	370.519	1.027	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1	ZINC000157316279	524249990	/nfs/dbraw/zinc/24/99/90/524249990.db2.gz	ZTJNLKSFQPZYTM-GFCCVEGCSA-N	1	0	364.427	1.762	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2cc(Br)cn(C)c2=O)CC1	ZINC000083584338	524258558	/nfs/dbraw/zinc/25/85/58/524258558.db2.gz	CPAYYDRAGWYEBN-UHFFFAOYSA-N	1	0	369.263	1.920	20	30		FDEDRO
C=CCOc1cccc(C[NH2+][C@@H](C)C(=O)NC[C@@H]2CCS(=O)(=O)C2)c1	ZINC000111402936	524278619	/nfs/dbraw/zinc/27/86/19/524278619.db2.gz	FFDDDMHVIYOMRJ-HOCLYGCPSA-N	1	0	366.483	1.280	20	30		FDEDRO
C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000157551011	524296512	/nfs/dbraw/zinc/29/65/12/524296512.db2.gz	OUEAFLBSYDPGEL-VXGBXAGGSA-N	1	0	350.400	1.324	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)CN1CC[NH+](CCc2cccs2)CC1	ZINC000141376079	524333012	/nfs/dbraw/zinc/33/30/12/524333012.db2.gz	LGAIVIUIPOBYDS-UHFFFAOYSA-N	1	0	359.499	1.564	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)CC1	ZINC000173161294	524338460	/nfs/dbraw/zinc/33/84/60/524338460.db2.gz	HFZXPEXONCRQFV-KRWDZBQOSA-N	1	0	369.465	1.662	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C1CCN(C(=O)c2ccccn2)CC1	ZINC000173255842	524357344	/nfs/dbraw/zinc/35/73/44/524357344.db2.gz	GKDKGZSQVDZNNV-UHFFFAOYSA-N	1	0	371.485	1.628	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-n3cccn3)c(F)c2)CC1	ZINC000173271760	524358968	/nfs/dbraw/zinc/35/89/68/524358968.db2.gz	OECBTHQDQWVSNR-UHFFFAOYSA-N	1	0	371.416	1.717	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cc(F)c(F)cc1F	ZINC000122081522	524448020	/nfs/dbraw/zinc/44/80/20/524448020.db2.gz	IOZAFCMJNJAQCT-UHFFFAOYSA-N	1	0	356.348	1.736	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc2ncccc2c1	ZINC000122091634	524449296	/nfs/dbraw/zinc/44/92/96/524449296.db2.gz	RRSJTZYWRNZWGC-UHFFFAOYSA-N	1	0	353.426	1.867	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(F)c(F)c1F	ZINC000122104014	524451531	/nfs/dbraw/zinc/45/15/31/524451531.db2.gz	JDCDKPADXCCSPC-UHFFFAOYSA-N	1	0	356.348	1.736	20	30		FDEDRO
CC[NH+]=C(N[C@H]1[C@H]2CCO[C@@H]2C1(C)C)N1CCN(C(=O)c2ccco2)CC1	ZINC000089158662	524479586	/nfs/dbraw/zinc/47/95/86/524479586.db2.gz	UNNNBZPLWYNQJZ-PVAVHDDUSA-N	1	0	374.485	1.816	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1	ZINC000122256746	524491269	/nfs/dbraw/zinc/49/12/69/524491269.db2.gz	PPAVHDSTOTZQOS-CZUORRHYSA-N	1	0	351.472	1.493	20	30		FDEDRO
CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000150883481	524498659	/nfs/dbraw/zinc/49/86/59/524498659.db2.gz	AWKCEAQAYVSGKS-CYBMUJFWSA-N	1	0	359.879	1.847	20	30		FDEDRO
COc1ccc([C@H](CO)[N@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)cc1	ZINC000112623173	524518650	/nfs/dbraw/zinc/51/86/50/524518650.db2.gz	AMLJEHZFXWLKMD-XLIONFOSSA-N	1	0	356.422	1.972	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]([NH+](CC)CC)C2)cc1	ZINC000174140220	524519378	/nfs/dbraw/zinc/51/93/78/524519378.db2.gz	HHXDVFIDNZETBV-MRXNPFEDSA-N	1	0	365.499	1.707	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CCc2ccc(C(=O)OC)cc2)c1C#N	ZINC000089675611	524520019	/nfs/dbraw/zinc/52/00/19/524520019.db2.gz	FYYVMKSMBGNILN-UHFFFAOYSA-N	1	0	369.425	1.791	20	30		FDEDRO
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)C1	ZINC000089676791	524520391	/nfs/dbraw/zinc/52/03/91/524520391.db2.gz	YMZXZXTXUMVYTG-ZIAGYGMSSA-N	1	0	374.489	1.657	20	30		FDEDRO
CC[C@H](C)NC(=[NH2+])NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1	ZINC000122488765	524549152	/nfs/dbraw/zinc/54/91/52/524549152.db2.gz	YDFZZVXLRFZDNY-DZGCQCFKSA-N	1	0	368.503	1.347	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)N1CCC[C@@H](C(F)(F)F)C1	ZINC000089943637	524556268	/nfs/dbraw/zinc/55/62/68/524556268.db2.gz	GDOSPEHEJAYNPV-LLVKDONJSA-N	1	0	372.395	1.529	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)NC1(c2ccccc2)CCC1	ZINC000089943578	524557656	/nfs/dbraw/zinc/55/76/56/524557656.db2.gz	HNRDIQSMEOEENU-UHFFFAOYSA-N	1	0	366.469	1.924	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)o1	ZINC000174384296	524560970	/nfs/dbraw/zinc/56/09/70/524560970.db2.gz	HSLMUDDVQGWWCU-HNNXBMFYSA-N	1	0	368.441	1.536	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)ccc1Cl	ZINC000158975471	524565653	/nfs/dbraw/zinc/56/56/53/524565653.db2.gz	MTSFDQVLJVRHFZ-ZDUSSCGKSA-N	1	0	357.863	1.337	20	30		FDEDRO
CCC(CC)[C@@H](CNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N)[NH+](C)C	ZINC000091229081	524669245	/nfs/dbraw/zinc/66/92/45/524669245.db2.gz	BSTMHODNMUIGRC-OAHLLOKOSA-N	1	0	362.478	1.757	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1	ZINC000151856657	524706416	/nfs/dbraw/zinc/70/64/16/524706416.db2.gz	HPGWAHOACWPTFH-GXTWGEPZSA-N	1	0	359.401	1.518	20	30		FDEDRO
COC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000091553882	524724656	/nfs/dbraw/zinc/72/46/56/524724656.db2.gz	BLSPFMRQPYNXQG-SJORKVTESA-N	1	0	364.490	1.096	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@](C)(CO)C2CCCCC2)CC1	ZINC000091581017	524731207	/nfs/dbraw/zinc/73/12/07/524731207.db2.gz	UBTLFHHJZDXLPE-AZUAARDMSA-N	1	0	364.534	1.600	20	30		FDEDRO
CC[NH+](CC)C[C@@H]1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1	ZINC000091587620	524734515	/nfs/dbraw/zinc/73/45/15/524734515.db2.gz	OJEXDYQUXOUTNR-OALUTQOASA-N	1	0	363.550	1.342	20	30		FDEDRO
C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C#N)cc1	ZINC000123617948	524792205	/nfs/dbraw/zinc/79/22/05/524792205.db2.gz	ZOKNSHHYVVPQNG-SFHVURJKSA-N	1	0	350.422	1.786	20	30		FDEDRO
CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2([NH3+])CC2)c1	ZINC000152294553	524837292	/nfs/dbraw/zinc/83/72/92/524837292.db2.gz	CSNYAPKJDJQEIG-HMMYKYKNSA-N	1	0	364.471	1.709	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CCCN(C(=O)c2ccccc2F)CC1	ZINC000092793029	524916753	/nfs/dbraw/zinc/91/67/53/524916753.db2.gz	KCDOTBXCYYWWEC-UHFFFAOYSA-N	1	0	360.433	1.736	20	30		FDEDRO
N#Cc1ccccc1N1CCCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1	ZINC000092890839	524928551	/nfs/dbraw/zinc/92/85/51/524928551.db2.gz	KUUQPNXZOOZJQV-UHFFFAOYSA-N	1	0	360.425	1.833	20	30		FDEDRO
CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000124256898	524941887	/nfs/dbraw/zinc/94/18/87/524941887.db2.gz	XVOZUOAXJLPUJB-UHFFFAOYSA-N	1	0	366.368	1.652	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1	ZINC000115543454	525014771	/nfs/dbraw/zinc/01/47/71/525014771.db2.gz	BVIUEDFVMIPTEH-MOPGFXCFSA-N	1	0	355.486	1.187	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000115549397	525017793	/nfs/dbraw/zinc/01/77/93/525017793.db2.gz	QJWKQUQLPQUJQN-UHFFFAOYSA-N	1	0	364.877	1.929	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1C#N	ZINC000161122947	525038229	/nfs/dbraw/zinc/03/82/29/525038229.db2.gz	PLBZXIJXVNOPCN-KRWDZBQOSA-N	1	0	370.453	1.884	20	30		FDEDRO
CC[C@H](C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)[NH+](C)C	ZINC000124727298	525059793	/nfs/dbraw/zinc/05/97/93/525059793.db2.gz	VWMSYJJUBPLBTF-QGZVFWFLSA-N	1	0	354.458	1.715	20	30		FDEDRO
C#CCSCCNC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1	ZINC000176299627	525079526	/nfs/dbraw/zinc/07/95/26/525079526.db2.gz	VSFVDCAVVKMTRV-UHFFFAOYSA-N	1	0	361.511	1.809	20	30		FDEDRO
C[NH+]=C(NCCN1C(=O)Cc2ccccc21)NCc1c(C)nn(C)c1C	ZINC000176366010	525090251	/nfs/dbraw/zinc/09/02/51/525090251.db2.gz	BOECTVRNYVHWKB-UHFFFAOYSA-N	1	0	354.458	1.291	20	30		FDEDRO
C=CC1CCN(C(=O)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)nc2)CC1	ZINC000153091818	525103908	/nfs/dbraw/zinc/10/39/08/525103908.db2.gz	MPWMBTNMLUFUHY-UHFFFAOYSA-N	1	0	372.469	1.918	20	30		FDEDRO
CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000124975974	525117216	/nfs/dbraw/zinc/11/72/16/525117216.db2.gz	RBTCFDJIZRYZHR-HNNXBMFYSA-N	1	0	360.462	1.506	20	30		FDEDRO
Cc1c(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cnn1C	ZINC000176584668	525145519	/nfs/dbraw/zinc/14/55/19/525145519.db2.gz	QWFATQOTGVKFGR-UHFFFAOYSA-N	1	0	368.441	1.129	20	30		FDEDRO
CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1	ZINC000161676297	525149755	/nfs/dbraw/zinc/14/97/55/525149755.db2.gz	RKLYGFMYQGEPLG-AWEZNQCLSA-N	1	0	371.890	1.583	20	30		FDEDRO
Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153256983	525159075	/nfs/dbraw/zinc/15/90/75/525159075.db2.gz	WYIJVTIMAYDLAK-UHFFFAOYSA-N	1	0	371.401	1.583	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)NCCCC[N@@H+]1CCC[C@@H]1CO	ZINC000161736674	525160637	/nfs/dbraw/zinc/16/06/37/525160637.db2.gz	PEONSMRPBVPPKN-MRXNPFEDSA-N	1	0	351.472	1.382	20	30		FDEDRO
Cc1csc2nc(C[N@H+](C)CCCc3[nH]nc(N)c3C#N)cc(=O)n12	ZINC000153286338	525168637	/nfs/dbraw/zinc/16/86/37/525168637.db2.gz	LNJPSUZEDCQRRV-UHFFFAOYSA-N	1	0	357.443	1.306	20	30		FDEDRO
C[C@@H](C(=O)NCCc1cccs1)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153303932	525171935	/nfs/dbraw/zinc/17/19/35/525171935.db2.gz	AHIIRGXDMMQMTE-LBPRGKRZSA-N	1	0	360.487	1.537	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1ccc(O)c(Br)c1	ZINC000153462330	525219960	/nfs/dbraw/zinc/21/99/60/525219960.db2.gz	UJUSESSFLHMSLU-UHFFFAOYSA-N	1	0	371.279	1.281	20	30		FDEDRO
Cc1cc(O)cc(=O)n1CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000177286024	525270644	/nfs/dbraw/zinc/27/06/44/525270644.db2.gz	FWXIPKXNYUEGPN-UHFFFAOYSA-N	1	0	368.437	1.324	20	30		FDEDRO
C=CC[C@@H](C)NC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1	ZINC000117075931	525285664	/nfs/dbraw/zinc/28/56/64/525285664.db2.gz	OCGNPNOONAQSET-CQSZACIVSA-N	1	0	372.469	1.403	20	30		FDEDRO
CSCC[C@@H](C)[N@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000126327947	525298706	/nfs/dbraw/zinc/29/87/06/525298706.db2.gz	CGAPSXNDXUEDAH-CYBMUJFWSA-N	1	0	365.503	1.577	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](CN1CCOCC1)c1ccccc1	ZINC000102700824	525300980	/nfs/dbraw/zinc/30/09/80/525300980.db2.gz	LAJAWZFYJLVUFO-UYAOXDASSA-N	1	0	358.486	1.704	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)[C@H]1CCOC1	ZINC000162690061	525301158	/nfs/dbraw/zinc/30/11/58/525301158.db2.gz	UDTOWBKSANCBLD-AYBZRNKSSA-N	1	0	374.460	1.549	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)[C@@H]1CCOC1	ZINC000162689806	525301406	/nfs/dbraw/zinc/30/14/06/525301406.db2.gz	UDTOWBKSANCBLD-SUMDDJOVSA-N	1	0	374.460	1.549	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000153738553	525307489	/nfs/dbraw/zinc/30/74/89/525307489.db2.gz	ISHSRCZAEIBTBG-NSHDSACASA-N	1	0	368.359	1.974	20	30		FDEDRO
C[NH+]=C(NCc1cn(C)nc1C(F)(F)F)N[C@H]1CCc2nc(C)nn2C1	ZINC000153752005	525311207	/nfs/dbraw/zinc/31/12/07/525311207.db2.gz	GCSNGWJJLBPAOM-NSHDSACASA-N	1	0	370.383	1.019	20	30		FDEDRO
CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@H]1CCC[N@H+](C)C1	ZINC000153792326	525325638	/nfs/dbraw/zinc/32/56/38/525325638.db2.gz	KEPXYYOUDQEZLO-HNNXBMFYSA-N	1	0	364.471	1.045	20	30		FDEDRO
N#Cc1ccc(SCC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1	ZINC000103121393	525326824	/nfs/dbraw/zinc/32/68/24/525326824.db2.gz	JHIJQXAAIBWZKF-UHFFFAOYSA-N	1	0	372.494	1.417	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@@H]1CCOC1	ZINC000162885048	525328820	/nfs/dbraw/zinc/32/88/20/525328820.db2.gz	OPUGPALJMNKNRT-XHSDSOJGSA-N	1	0	362.499	1.472	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1	ZINC000177846829	525353338	/nfs/dbraw/zinc/35/33/38/525353338.db2.gz	MCQJJEYVNOFTOE-UHFFFAOYSA-N	1	0	351.410	1.964	20	30		FDEDRO
CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CC[NH3+])cc1	ZINC000178039524	525374159	/nfs/dbraw/zinc/37/41/59/525374159.db2.gz	QPIAQSHKAGCTSC-CYVLTUHYSA-N	1	0	352.460	1.567	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N[C@H](C)CC#N	ZINC000178056513	525376947	/nfs/dbraw/zinc/37/69/47/525376947.db2.gz	VINDIWHDDDLIJE-CQSZACIVSA-N	1	0	366.487	1.257	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CNC(=O)c1cccc(Cl)c1	ZINC000104326658	525405786	/nfs/dbraw/zinc/40/57/86/525405786.db2.gz	MVQUIMVNMZFCPG-UHFFFAOYSA-N	1	0	350.850	1.764	20	30		FDEDRO
C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000127475626	525425703	/nfs/dbraw/zinc/42/57/03/525425703.db2.gz	MYFYGKTXDQZXKT-STQMWFEESA-N	1	0	372.450	1.883	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2cccc(NC(C)=O)c2)CC1	ZINC000104711858	525425922	/nfs/dbraw/zinc/42/59/22/525425922.db2.gz	SQSSIDBFNYLXEF-AWEZNQCLSA-N	1	0	372.469	1.986	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2cccc(NC(C)=O)c2)CC1	ZINC000104711719	525425986	/nfs/dbraw/zinc/42/59/86/525425986.db2.gz	UKBZRPQYKXJNOP-AWEZNQCLSA-N	1	0	370.453	1.433	20	30		FDEDRO
C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000127476266	525426212	/nfs/dbraw/zinc/42/62/12/525426212.db2.gz	MYFYGKTXDQZXKT-CHWSQXEVSA-N	1	0	372.450	1.883	20	30		FDEDRO
C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccc(C#N)cc1	ZINC000127475807	525426760	/nfs/dbraw/zinc/42/67/60/525426760.db2.gz	MYFYGKTXDQZXKT-OLZOCXBDSA-N	1	0	372.450	1.883	20	30		FDEDRO
C[NH+](C)CCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	ZINC000118093988	525433706	/nfs/dbraw/zinc/43/37/06/525433706.db2.gz	VYPHNYJWNXKPGI-UHFFFAOYSA-N	1	0	352.394	1.967	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC[N@@H+](CC)C(C)C)cc1	ZINC000118118708	525462472	/nfs/dbraw/zinc/46/24/72/525462472.db2.gz	BSLZXJGWLUNCIQ-UHFFFAOYSA-N	1	0	360.458	1.387	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCCCNC(=O)CNC(=O)c2ccc(C#N)cc2)C[C@H](C)O1	ZINC000164267657	525490893	/nfs/dbraw/zinc/49/08/93/525490893.db2.gz	PYUZVQZXFUDDRB-IYBDPMFKSA-N	1	0	372.469	1.294	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(CCC#N)Cc2ccco2)CC1=O	ZINC000105328281	525501257	/nfs/dbraw/zinc/50/12/57/525501257.db2.gz	VYNHWQUCXBKYMF-SJORKVTESA-N	1	0	372.469	1.855	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCc2ccc(C#N)cc2F)CC1=O	ZINC000105782209	525538602	/nfs/dbraw/zinc/53/86/02/525538602.db2.gz	GGKOVEIGTNEHQG-IAGOWNOFSA-N	1	0	372.444	1.646	20	30		FDEDRO
CC[N@@H+]1CCCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1	ZINC000118827169	525549593	/nfs/dbraw/zinc/54/95/93/525549593.db2.gz	HYSHUSOUYXKNAS-UHFFFAOYSA-N	1	0	352.442	1.710	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H](NC(=O)c2ccccn2)C(C)C)CC1	ZINC000106034588	525554603	/nfs/dbraw/zinc/55/46/03/525554603.db2.gz	DNFCLVMEFXBMDH-SFHVURJKSA-N	1	0	358.486	1.993	20	30		FDEDRO
CC[C@H]1CN(CC(=O)N(C)C2(C#N)CCCCC2)CC[N@@H+]1C[C@@H](C)O	ZINC000106104505	525592909	/nfs/dbraw/zinc/59/29/09/525592909.db2.gz	KJNKORQKACAMBF-SJORKVTESA-N	1	0	350.507	1.448	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)cc1C#N	ZINC000119037265	525614826	/nfs/dbraw/zinc/61/48/26/525614826.db2.gz	DWEKLHJZZRYIJP-DLBZAZTESA-N	1	0	370.453	1.979	20	30		FDEDRO
C[C@@H]([NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)C(=O)N(C)CCC#N	ZINC000180122816	525666460	/nfs/dbraw/zinc/66/64/60/525666460.db2.gz	KBWRLQMYYZGUBO-ISTRZQFTSA-N	1	0	362.861	1.962	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(c3ncccc3C#N)CC2)CC1	ZINC000106275955	525686536	/nfs/dbraw/zinc/68/65/36/525686536.db2.gz	RVQARMBWYHUEFK-UHFFFAOYSA-N	1	0	368.485	1.825	20	30		FDEDRO
COc1ccc([C@H](CNC(=O)N2CCO[C@H](C#N)C2)[NH+]2CCCC2)cc1	ZINC000106326965	525692319	/nfs/dbraw/zinc/69/23/19/525692319.db2.gz	FLVNZRJOTXRZPA-MSOLQXFVSA-N	1	0	358.442	1.766	20	30		FDEDRO
CNC(=O)CC[N@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000170782814	525711725	/nfs/dbraw/zinc/71/17/25/525711725.db2.gz	DOVMVKQTIWYRAF-UHFFFAOYSA-N	1	0	355.360	1.241	20	30		FDEDRO
C[C@H]([NH2+]CCC(=O)N(C)CCC#N)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000180537009	525720301	/nfs/dbraw/zinc/72/03/01/525720301.db2.gz	ZPCZMQJMBOICMU-AWEZNQCLSA-N	1	0	366.487	1.350	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)N1CCN(c2ncccn2)CC1	ZINC000130438369	525756912	/nfs/dbraw/zinc/75/69/12/525756912.db2.gz	UTZJJAHKWBZXSO-ZACQAIPSSA-N	1	0	370.501	1.522	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(OC[C@H]3CCOC3)CC2)cc1	ZINC000119479581	525760394	/nfs/dbraw/zinc/76/03/94/525760394.db2.gz	MHCSTXPGYMWYBM-ROUUACIJSA-N	1	0	360.454	1.815	20	30		FDEDRO
C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(N2CCCC2=O)cc1	ZINC000180868798	525767282	/nfs/dbraw/zinc/76/72/82/525767282.db2.gz	MAXNRXZPTBRVSZ-BVGIJJTOSA-N	1	0	368.437	1.990	20	30		FDEDRO
COCC[C@H](Cc1cccc(F)c1)[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000180871883	525767480	/nfs/dbraw/zinc/76/74/80/525767480.db2.gz	SFXPNXMJBRGXOS-OZNQOIHVSA-N	1	0	361.417	1.889	20	30		FDEDRO
COc1ccccc1CNC(=[NH2+])NCc1ccc(N2CCO[C@H](C)C2)nc1	ZINC000170911564	525767943	/nfs/dbraw/zinc/76/79/43/525767943.db2.gz	ATCFYQFMXIGOCR-OAHLLOKOSA-N	1	0	369.469	1.920	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCc2cccnc2-n2cccn2)cc1OC	ZINC000170912240	525768059	/nfs/dbraw/zinc/76/80/59/525768059.db2.gz	IFJQGYALEDABAP-UHFFFAOYSA-N	1	0	366.425	1.889	20	30		FDEDRO
Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000180873927	525768599	/nfs/dbraw/zinc/76/85/99/525768599.db2.gz	DLXBFXVXHYKAHQ-ORIGZDJFSA-N	1	0	356.426	1.828	20	30		FDEDRO
C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(N2CCCC2=O)cc1	ZINC000180868781	525768626	/nfs/dbraw/zinc/76/86/26/525768626.db2.gz	MAXNRXZPTBRVSZ-SXZOAGKDSA-N	1	0	368.437	1.990	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)Oc3ccccc3C#N)C2)CC1	ZINC000106803969	525793293	/nfs/dbraw/zinc/79/32/93/525793293.db2.gz	WSTNQDSBLRWBMJ-WMZOPIPTSA-N	1	0	356.470	1.564	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(N)=O	ZINC000130784247	525794913	/nfs/dbraw/zinc/79/49/13/525794913.db2.gz	LKDNQZKRHBZKFM-OWCLPIDISA-N	1	0	372.469	1.964	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000130801656	525796372	/nfs/dbraw/zinc/79/63/72/525796372.db2.gz	YJBXXVRDPURDBY-OAHLLOKOSA-N	1	0	371.485	1.178	20	30		FDEDRO
CC[NH+]=C(N[C@H]1[C@H]2CCO[C@@H]2C1(C)C)N1CCN(c2ccccn2)CC1	ZINC000155405743	525855133	/nfs/dbraw/zinc/85/51/33/525855133.db2.gz	PGCULUIKBZFLLC-NJAFHUGGSA-N	1	0	357.502	1.983	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)cc1	ZINC000119816710	525874943	/nfs/dbraw/zinc/87/49/43/525874943.db2.gz	DKLCKHOSFXCDJX-UHFFFAOYSA-N	1	0	355.482	1.798	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000171305251	525938871	/nfs/dbraw/zinc/93/88/71/525938871.db2.gz	PUKFHKZNQUEADC-OAGGEKHMSA-N	1	0	366.506	1.208	20	30		FDEDRO
N#Cc1cc(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c[nH]1	ZINC000181834355	525948605	/nfs/dbraw/zinc/94/86/05/525948605.db2.gz	MLYYDRGNRMMODD-UHFFFAOYSA-N	1	0	351.410	1.964	20	30		FDEDRO
C[C@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1	ZINC000132355062	525959345	/nfs/dbraw/zinc/95/93/45/525959345.db2.gz	ICQAOVMAFPYFCJ-OAHLLOKOSA-N	1	0	371.485	1.916	20	30		FDEDRO
N#Cc1cccc(OC2CC[NH+](C[C@H](O)COC3CCOCC3)CC2)c1	ZINC000120308871	526024967	/nfs/dbraw/zinc/02/49/67/526024967.db2.gz	WHJKQNMBSZQSII-KRWDZBQOSA-N	1	0	360.454	1.958	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H](CC(N)=O)C2CCCCC2)c1	ZINC000182024926	526025086	/nfs/dbraw/zinc/02/50/86/526025086.db2.gz	AZYMNGCOZONLFY-KRWDZBQOSA-N	1	0	363.483	1.746	20	30		FDEDRO
CNS(=O)(=O)[C@H]1CCN([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000156061206	526044994	/nfs/dbraw/zinc/04/49/94/526044994.db2.gz	SZVDZSRIWFODDS-GWCFXTLKSA-N	1	0	370.862	1.162	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1	ZINC000171722766	526094229	/nfs/dbraw/zinc/09/42/29/526094229.db2.gz	NSVUYGKCEQZSFQ-UHFFFAOYSA-N	1	0	356.386	1.556	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)CC1	ZINC000171720465	526094454	/nfs/dbraw/zinc/09/44/54/526094454.db2.gz	PVLOVNXNVMJNCS-SFHVURJKSA-N	1	0	355.482	1.844	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(C(=O)c3cccs3)CC2)CC1	ZINC000171740776	526103029	/nfs/dbraw/zinc/10/30/29/526103029.db2.gz	RVMLWXGWVSKYKQ-UHFFFAOYSA-N	1	0	362.499	1.866	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H](Cc2ccccc2)C(=O)N(C)C)CC1	ZINC000171780927	526120439	/nfs/dbraw/zinc/12/04/39/526120439.db2.gz	QXBBNULOARGVJL-GOSISDBHSA-N	1	0	358.486	1.636	20	30		FDEDRO
Cc1nc(C(=O)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)ccc1C#N	ZINC000171804704	526128725	/nfs/dbraw/zinc/12/87/25/526128725.db2.gz	WSOAZHIXNIIAOU-UHFFFAOYSA-N	1	0	365.437	1.483	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C	ZINC000120678118	526149712	/nfs/dbraw/zinc/14/97/12/526149712.db2.gz	SYZWECFMGCBYTN-UGSOOPFHSA-N	1	0	368.485	1.949	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1	ZINC000182422401	526168495	/nfs/dbraw/zinc/16/84/95/526168495.db2.gz	NEKZKMUQZSTWNQ-QGZVFWFLSA-N	1	0	360.458	1.434	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN([C@H](C)c3nc(C)no3)CC2)CC1	ZINC000171907824	526178452	/nfs/dbraw/zinc/17/84/52/526178452.db2.gz	HPJPZEHQHCMIKR-CQSZACIVSA-N	1	0	362.478	1.417	20	30		FDEDRO
CC[NH+]1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1	ZINC000182621258	535835488	/nfs/dbraw/zinc/83/54/88/535835488.db2.gz	MKFMPSPFWQIMFA-INIZCTEOSA-N	1	0	361.515	1.094	20	30		FDEDRO
CCC[N@H+](CCO)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000183161277	535931108	/nfs/dbraw/zinc/93/11/08/535931108.db2.gz	UXYCPQMSGOQTSG-GOSISDBHSA-N	1	0	362.449	1.239	20	30		FDEDRO
C[NH+](C)CCOc1cc(C(=O)NCCOc2ccc(C#N)cc2)ccn1	ZINC000183217249	535945167	/nfs/dbraw/zinc/94/51/67/535945167.db2.gz	MSQRUKGUUQXWKQ-UHFFFAOYSA-N	1	0	354.410	1.702	20	30		FDEDRO
COC[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C1CC1	ZINC000183442685	535981976	/nfs/dbraw/zinc/98/19/76/535981976.db2.gz	UBOLVDKQVBRUMP-OALUTQOASA-N	1	0	374.460	1.549	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H](CCO)C2CCCCC2)CC1	ZINC000183708526	536033756	/nfs/dbraw/zinc/03/37/56/536033756.db2.gz	UBIGYYMZRRGVGA-MOPGFXCFSA-N	1	0	364.534	1.600	20	30		FDEDRO
CC[N@H+](CCO)CCNC(=O)c1occc1COc1cccc(C#N)c1	ZINC000183920503	536067344	/nfs/dbraw/zinc/06/73/44/536067344.db2.gz	ZASLMUQLNGYUMZ-UHFFFAOYSA-N	1	0	357.410	1.774	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cc1	ZINC000184183964	536110073	/nfs/dbraw/zinc/11/00/73/536110073.db2.gz	QNNMUUBWARCZAY-MRXNPFEDSA-N	1	0	373.501	1.750	20	30		FDEDRO
N#Cc1ccc(Cl)c(S(=O)(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c1	ZINC000184880246	536189401	/nfs/dbraw/zinc/18/94/01/536189401.db2.gz	YQMYZGQEFLCFDF-CQSZACIVSA-N	1	0	371.890	1.727	20	30		FDEDRO
CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000185113418	536199142	/nfs/dbraw/zinc/19/91/42/536199142.db2.gz	OVLNJAODBDOJRJ-CYBMUJFWSA-N	1	0	359.879	1.847	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1	ZINC000185609831	536213557	/nfs/dbraw/zinc/21/35/57/536213557.db2.gz	WCVLKQAYTPMGEQ-UHFFFAOYSA-N	1	0	357.454	1.875	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C)[C@@H]2COc3ccccc32)CC1	ZINC000185610547	536213589	/nfs/dbraw/zinc/21/35/89/536213589.db2.gz	DWJAZTFPYLXKOD-NEWSRXKRSA-N	1	0	370.497	1.833	20	30		FDEDRO
COCCn1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)n1	ZINC000187714265	536272404	/nfs/dbraw/zinc/27/24/04/536272404.db2.gz	IMHCITPQRQVRCP-UHFFFAOYSA-N	1	0	355.442	1.605	20	30		FDEDRO
CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C1(C#N)CCOCC1	ZINC000188169751	536284650	/nfs/dbraw/zinc/28/46/50/536284650.db2.gz	WWMVVXHBUQZMAQ-FQEVSTJZSA-N	1	0	357.454	1.402	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)CN(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000188310710	536289920	/nfs/dbraw/zinc/28/99/20/536289920.db2.gz	RIODXQAPGBSSRW-NHCUHLMSSA-N	1	0	372.513	1.610	20	30		FDEDRO
CC[NH+]=C(NCc1c(C)nn(C)c1C)NC[C@H]1CCc2nnc(C)n2C1	ZINC000262791819	536901243	/nfs/dbraw/zinc/90/12/43/536901243.db2.gz	OFYRCBKHTNISQS-OAHLLOKOSA-N	1	0	358.494	1.255	20	30		FDEDRO
C[NH+]=C(NCCc1nc(C(C)(C)C)cs1)N[C@@H]1CCC(=O)N(C)C1	ZINC000262804922	536905818	/nfs/dbraw/zinc/90/58/18/536905818.db2.gz	SDZYSJGGGFCDPT-GFCCVEGCSA-N	1	0	351.520	1.769	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCO[C@@H](C[NH+](C)C)C1	ZINC000246359795	536935078	/nfs/dbraw/zinc/93/50/78/536935078.db2.gz	NFYRRBHERVCFGW-WFASDCNBSA-N	1	0	350.850	1.801	20	30		FDEDRO
COCCNC(=[NH2+])NCCC(=O)N(C)Cc1ccccc1Br	ZINC000267386654	536972280	/nfs/dbraw/zinc/97/22/80/536972280.db2.gz	BVSMWQSXMFDIOS-UHFFFAOYSA-N	1	0	371.279	1.348	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Nc1ccc(F)cc1C#N	ZINC000267646531	536987412	/nfs/dbraw/zinc/98/74/12/536987412.db2.gz	QSUAEVCCXBJOEU-MRXNPFEDSA-N	1	0	361.421	1.762	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)n1	ZINC000189391815	537038669	/nfs/dbraw/zinc/03/86/69/537038669.db2.gz	ZMECHRZMPFIWON-INIZCTEOSA-N	1	0	372.473	1.751	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N(CC)CCC[NH+](C)C)cc1	ZINC000189809361	537100164	/nfs/dbraw/zinc/10/01/64/537100164.db2.gz	FQYUTZHZMKXTHU-UHFFFAOYSA-N	1	0	360.458	1.341	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1	ZINC000189876558	537108773	/nfs/dbraw/zinc/10/87/73/537108773.db2.gz	VXEMIJNGXMNDEN-HOTGVXAUSA-N	1	0	350.507	1.495	20	30		FDEDRO
C[C@@H]1CN(CC(=O)N(CCC#N)c2ccccc2)CC[N@@H+]1CC(C)(C)O	ZINC000189919468	537115595	/nfs/dbraw/zinc/11/55/95/537115595.db2.gz	KMDADPDHBXJSDI-QGZVFWFLSA-N	1	0	358.486	1.710	20	30		FDEDRO
COc1ccccc1CNC(=[NH2+])NCc1ccc(CS(C)(=O)=O)cc1	ZINC000264099019	537136965	/nfs/dbraw/zinc/13/69/65/537136965.db2.gz	NPGCSJITIWBXAL-UHFFFAOYSA-N	1	0	361.467	1.844	20	30		FDEDRO
CCNC(NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)=[NH+]CC	ZINC000264106134	537138071	/nfs/dbraw/zinc/13/80/71/537138071.db2.gz	PMNKPHIQNNFMBB-HNNXBMFYSA-N	1	0	368.503	1.219	20	30		FDEDRO
CC[C@@H]1CN(CC(=O)N(C)C2(C#N)CCCCC2)CC[N@@H+]1C[C@H](C)O	ZINC000247596970	537139950	/nfs/dbraw/zinc/13/99/50/537139950.db2.gz	KJNKORQKACAMBF-DLBZAZTESA-N	1	0	350.507	1.448	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCc2ccc(OCC#N)cc2)CC1	ZINC000264300820	537140920	/nfs/dbraw/zinc/14/09/20/537140920.db2.gz	RTAREHDTRFJHCJ-UHFFFAOYSA-N	1	0	373.457	1.956	20	30		FDEDRO
CC(=O)N1CCN(c2ccccc2CNC(=[NH2+])Nc2ccccn2)CC1	ZINC000264305616	537141234	/nfs/dbraw/zinc/14/12/34/537141234.db2.gz	SWOYOIVVAQSXCM-UHFFFAOYSA-N	1	0	352.442	1.677	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(OC)cc(OC)c2)CC1	ZINC000264395502	537143402	/nfs/dbraw/zinc/14/34/02/537143402.db2.gz	CZNTZRLADZYTLW-UHFFFAOYSA-N	1	0	361.442	1.799	20	30		FDEDRO
CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N(C)[C@H](C)CC#N)c2)CC1	ZINC000190138254	537145423	/nfs/dbraw/zinc/14/54/23/537145423.db2.gz	BKNXRQFWHCYVMT-OAHLLOKOSA-N	1	0	357.458	1.528	20	30		FDEDRO
C[C@H](ONC(N)=C1C(=[NH2+])C2(CCCC2)N(C)C1=O)C(=O)Nc1ccccc1	ZINC000264910722	537150116	/nfs/dbraw/zinc/15/01/16/537150116.db2.gz	FGCITBUGXQSJHX-LBPRGKRZSA-N	1	0	371.441	1.300	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1	ZINC000265851736	537177363	/nfs/dbraw/zinc/17/73/63/537177363.db2.gz	QDFFCPXKCBQPNZ-OAHLLOKOSA-N	1	0	367.471	1.207	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000248796716	537213048	/nfs/dbraw/zinc/21/30/48/537213048.db2.gz	PCQSCHWKOHPERV-MSOLQXFVSA-N	1	0	369.469	1.443	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)[C@H]1CO	ZINC000248885777	537218939	/nfs/dbraw/zinc/21/89/39/537218939.db2.gz	DYHQBPDIEATZJU-MNEFBYGVSA-N	1	0	374.460	1.237	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1	ZINC000192070133	537219346	/nfs/dbraw/zinc/21/93/46/537219346.db2.gz	ZMIRBDCEAOUILR-HIFRSBDPSA-N	1	0	355.797	1.911	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1	ZINC000192150232	537221044	/nfs/dbraw/zinc/22/10/44/537221044.db2.gz	XFNRLBYBZLFPFM-CJNGLKHVSA-N	1	0	364.833	1.213	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1	ZINC000249119592	537230529	/nfs/dbraw/zinc/23/05/29/537230529.db2.gz	UZDSLNSQTCDCLH-NVXWUHKLSA-N	1	0	370.453	1.456	20	30		FDEDRO
CC[C@@]1(CO)CCC[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1	ZINC000249597964	537239289	/nfs/dbraw/zinc/23/92/89/537239289.db2.gz	XJHPUUBESZNYRV-IEBWSBKVSA-N	1	0	350.507	1.163	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1	ZINC000193498522	537249406	/nfs/dbraw/zinc/24/94/06/537249406.db2.gz	AHVGWBREAAJWES-HRCADAONSA-N	1	0	364.490	1.793	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1	ZINC000262775160	537254502	/nfs/dbraw/zinc/25/45/02/537254502.db2.gz	XEJCFQXZCDXFGB-OLZOCXBDSA-N	1	0	370.272	1.836	20	30		FDEDRO
N#CCOc1ccccc1C(=O)N1CCCN(CC(=O)N2CCCC2)CC1	ZINC000193867848	537256401	/nfs/dbraw/zinc/25/64/01/537256401.db2.gz	MBYVCGJNLDUJBY-UHFFFAOYSA-N	1	0	370.453	1.359	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N)C1=CC[N@H+](C)CC1	ZINC000276222140	537339443	/nfs/dbraw/zinc/33/94/43/537339443.db2.gz	XBFYTVDHCRYPSC-UONOGXRCSA-N	1	0	356.426	1.683	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[N@H+](CC)C[C@@H](O)COc1ccc(CCOC)cc1	ZINC000293105119	537345021	/nfs/dbraw/zinc/34/50/21/537345021.db2.gz	YCGGZWOLRZKBKD-SJLPKXTDSA-N	1	0	362.470	1.075	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NCc1cccc(OCC[NH+](C)C)c1	ZINC000282924122	537346797	/nfs/dbraw/zinc/34/67/97/537346797.db2.gz	STIZWSOIKNUEOC-CQSZACIVSA-N	1	0	354.476	1.053	20	30		FDEDRO
C#CCNC(=O)CC[N@@H+](CC)C[C@H](O)COc1ccc(CCOC)cc1	ZINC000293110716	537348705	/nfs/dbraw/zinc/34/87/05/537348705.db2.gz	YMEYWMHNZUSOPN-SFHVURJKSA-N	1	0	362.470	1.077	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)NCCN2CCOCC2(C)C)c(F)c1	ZINC000282941271	537348952	/nfs/dbraw/zinc/34/89/52/537348952.db2.gz	MQNWKRPTRSBMGP-UHFFFAOYSA-N	1	0	365.380	1.112	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCCCCn2cc(Br)cn2)CC1	ZINC000279556471	537348983	/nfs/dbraw/zinc/34/89/83/537348983.db2.gz	XTKHYDNESVRFSQ-UHFFFAOYSA-N	1	0	367.291	1.887	20	30		FDEDRO
C=CCN(CCC#N)C(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C	ZINC000293116392	537351651	/nfs/dbraw/zinc/35/16/51/537351651.db2.gz	HOBDVKZPZHXWKG-UHFFFAOYSA-N	1	0	358.442	1.802	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000195159298	537362130	/nfs/dbraw/zinc/36/21/30/537362130.db2.gz	REWFWNSPVCYNLD-KRWDZBQOSA-N	1	0	363.506	1.608	20	30		FDEDRO
C#CCCOc1ccc(C[N@H+]2CC[C@H](n3cc(C(=O)OC)nn3)C2)cc1	ZINC000363936503	537373938	/nfs/dbraw/zinc/37/39/38/537373938.db2.gz	XXCUBPFTJFRITG-INIZCTEOSA-N	1	0	354.410	1.914	20	30		FDEDRO
CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N(C)CCC#N)c1	ZINC000283386410	537374780	/nfs/dbraw/zinc/37/47/80/537374780.db2.gz	VKMRALIYBMESMI-UHFFFAOYSA-N	1	0	373.457	1.069	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1=O	ZINC000348391306	537384233	/nfs/dbraw/zinc/38/42/33/537384233.db2.gz	QLBHNBWNXUKVNX-GOSISDBHSA-N	1	0	373.453	1.266	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(CC2([NH+]3CCSCC3)CCCC2)C1=O	ZINC000348441660	537386366	/nfs/dbraw/zinc/38/63/66/537386366.db2.gz	LUIMYJHUVIDULG-AWEZNQCLSA-N	1	0	353.488	1.471	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccn(-c2ccccc2Cl)n1	ZINC000293200729	537387345	/nfs/dbraw/zinc/38/73/45/537387345.db2.gz	AKLZCPWVMPGXRP-UHFFFAOYSA-N	1	0	373.844	1.536	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1	ZINC000283806208	537388466	/nfs/dbraw/zinc/38/84/66/537388466.db2.gz	HTBTZOQQAUKRCO-KRWDZBQOSA-N	1	0	368.481	1.921	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N(C)Cc1nccn1C)C(C)C	ZINC000283904294	537392618	/nfs/dbraw/zinc/39/26/18/537392618.db2.gz	FYKJATVREHGIHS-INIZCTEOSA-N	1	0	361.490	1.193	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](c2ccco2)N(C)C)CC1	ZINC000283985880	537399010	/nfs/dbraw/zinc/39/90/10/537399010.db2.gz	GHJIYRUKTHDTJB-INIZCTEOSA-N	1	0	362.474	1.155	20	30		FDEDRO
C=CCc1cc(C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)cc(OC)c1OC	ZINC000364936454	537401609	/nfs/dbraw/zinc/40/16/09/537401609.db2.gz	SKHBUVBNNYCWBL-HNNXBMFYSA-N	1	0	362.470	1.961	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000284231938	537403849	/nfs/dbraw/zinc/40/38/49/537403849.db2.gz	LOAFUWDDFSFVAC-UHFFFAOYSA-N	1	0	370.497	1.516	20	30		FDEDRO
COC(=O)C1=NOC2(C1)CC[NH+](C[C@@H](O)COc1ccc(C#N)cc1)CC2	ZINC000273182766	537407859	/nfs/dbraw/zinc/40/78/59/537407859.db2.gz	JWHICOOQEBWBCG-OAHLLOKOSA-N	1	0	373.409	1.082	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)NC2CC[NH+](C(C)C)CC2)c1	ZINC000198857004	537426270	/nfs/dbraw/zinc/42/62/70/537426270.db2.gz	MXOKNPAVQVJVEM-UHFFFAOYSA-N	1	0	363.483	1.201	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000365098225	537429985	/nfs/dbraw/zinc/42/99/85/537429985.db2.gz	QPYOPMMDBHYNFR-ROUUACIJSA-N	1	0	354.454	1.650	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CCC(=O)OC(C)(C)C)CC1	ZINC000286338827	537432881	/nfs/dbraw/zinc/43/28/81/537432881.db2.gz	AVCWDJBTCVPAMK-UHFFFAOYSA-N	1	0	367.490	1.333	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2OCCN(CC(=O)Nc3cc(Cl)ccc3C#N)[C@H]2C1	ZINC000293419241	537451020	/nfs/dbraw/zinc/45/10/20/537451020.db2.gz	ZRABKNDOWQDODK-DLBZAZTESA-N	1	0	362.861	1.945	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000288112807	537452315	/nfs/dbraw/zinc/45/23/15/537452315.db2.gz	MWZYIRYGUCGRAE-LSVZVQIISA-N	1	0	370.453	2.000	20	30		FDEDRO
CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	ZINC000290889905	537453161	/nfs/dbraw/zinc/45/31/61/537453161.db2.gz	USDFULCXFWWIMS-UHFFFAOYSA-N	1	0	367.409	1.752	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)[NH+]1CCN(C)CC1	ZINC000280841425	537472146	/nfs/dbraw/zinc/47/21/46/537472146.db2.gz	JKUPPONFXYDAIO-VQTJNVASSA-N	1	0	367.497	1.629	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1	ZINC000299197876	537473427	/nfs/dbraw/zinc/47/34/27/537473427.db2.gz	UCGVOSZMMWXOMP-OAQYLSRUSA-N	1	0	366.465	1.627	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1	ZINC000288319818	537479420	/nfs/dbraw/zinc/47/94/20/537479420.db2.gz	RWPJTPOWMRAPMI-UHFFFAOYSA-N	1	0	373.497	1.684	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(OCCCOC)c1	ZINC000293524261	537500984	/nfs/dbraw/zinc/50/09/84/537500984.db2.gz	ZHDIXEGQCRJJQW-UHFFFAOYSA-N	1	0	361.442	1.112	20	30		FDEDRO
N#Cc1cccc(COc2cccc(C[NH2+]C[C@@H]3CC(C(N)=O)=NO3)c2)c1	ZINC000276440132	537511701	/nfs/dbraw/zinc/51/17/01/537511701.db2.gz	IPBNBAVIUUTIAB-SFHVURJKSA-N	1	0	364.405	1.857	20	30		FDEDRO
C=CCC[N@@H+](C)CC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1	ZINC000276450016	537519392	/nfs/dbraw/zinc/51/93/92/537519392.db2.gz	PLMSNJLUCLQNIO-UHFFFAOYSA-N	1	0	355.460	1.392	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000288617048	537524038	/nfs/dbraw/zinc/52/40/38/537524038.db2.gz	LTHHLLGOVBLRDP-UHFFFAOYSA-N	1	0	358.895	1.373	20	30		FDEDRO
N#Cc1ccc(C[C@@H](C#N)C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)cc1	ZINC000281389997	537536848	/nfs/dbraw/zinc/53/68/48/537536848.db2.gz	BLMQGOYIPYNULL-RBUKOAKNSA-N	1	0	354.454	1.594	20	30		FDEDRO
C[C@H](NC(=O)C(C)(C)C)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000299303425	537543542	/nfs/dbraw/zinc/54/35/42/537543542.db2.gz	ABSHAFCFQLJQKU-HNNXBMFYSA-N	1	0	358.486	1.999	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])N[C@H]2C[C@@H](OCC)C23CCC3)CC1	ZINC000304791582	537598922	/nfs/dbraw/zinc/59/89/22/537598922.db2.gz	KSKKUQYJKOTRNW-LSDHHAIUSA-N	1	0	352.479	1.859	20	30		FDEDRO
C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000275935428	537599964	/nfs/dbraw/zinc/59/99/64/537599964.db2.gz	WIJQZLWDFQLPRS-CYBMUJFWSA-N	1	0	374.489	1.637	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)Cc1cccc(C#N)c1	ZINC000285109187	537608921	/nfs/dbraw/zinc/60/89/21/537608921.db2.gz	QLXUTSKLUOMKDI-CVEARBPZSA-N	1	0	356.470	1.753	20	30		FDEDRO
Cn1nccc1[C@H]1[C@H](CNC(=O)c2cccn3c(O)nnc23)CCC[N@@H+]1C	ZINC000329168038	537634519	/nfs/dbraw/zinc/63/45/19/537634519.db2.gz	INUSZDGKVKDXNL-SWLSCSKDSA-N	1	0	369.429	1.556	20	30		FDEDRO
CC(=O)N1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C	ZINC000329174618	537635939	/nfs/dbraw/zinc/63/59/39/537635939.db2.gz	BBMPEUBCERWXBE-NPYXIHBLSA-N	1	0	364.490	1.428	20	30		FDEDRO
C[C@H](CO[C@@H]1CCOC1)NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000329417541	537636498	/nfs/dbraw/zinc/63/64/98/537636498.db2.gz	GAJQTXWLTZQXPT-DDBAPUKQSA-N	1	0	369.506	1.452	20	30		FDEDRO
C[C@H]1OCC[C@@]12CN(C(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)CCO2	ZINC000329920536	537645988	/nfs/dbraw/zinc/64/59/88/537645988.db2.gz	SHRBRSCESNWRBT-YYAJDYIMSA-N	1	0	369.506	1.668	20	30		FDEDRO
CN1CCO[C@@H]2CN(CC(=O)NCCc3nc4ccccc4s3)C[C@H]21	ZINC000329921150	537646073	/nfs/dbraw/zinc/64/60/73/537646073.db2.gz	HKQHTBFSOCBIKK-HUUCEWRRSA-N	1	0	360.483	1.810	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)NC3CC[NH+](CC4CC4)CC3)C2)nc1	ZINC000291625210	537646592	/nfs/dbraw/zinc/64/65/92/537646592.db2.gz	KUUBWSQBTFZHKL-GOSISDBHSA-N	1	0	369.469	1.990	20	30		FDEDRO
CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCN(C)[C@@H](c2nccn2C)C1	ZINC000329955849	537647976	/nfs/dbraw/zinc/64/79/76/537647976.db2.gz	KYYWBUBZVHFYGL-IAGOWNOFSA-N	1	0	362.522	1.887	20	30		FDEDRO
CC(C)c1nc([C@@H]2CCCN2C(=O)NC[C@@H]2C[N@H+](C)CCN2C)no1	ZINC000330224512	537651782	/nfs/dbraw/zinc/65/17/82/537651782.db2.gz	ASTAINKCGDVJEU-KGLIPLIRSA-N	1	0	350.467	1.490	20	30		FDEDRO
CCC[NH+]1CCC(CNC(=O)N2CCC(N(C)S(C)(=O)=O)CC2)CC1	ZINC000330424809	537657085	/nfs/dbraw/zinc/65/70/85/537657085.db2.gz	FSIVQQXQHZFCDR-UHFFFAOYSA-N	1	0	374.551	1.378	20	30		FDEDRO
CC(C)CC(=O)N1CCC(NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1	ZINC000330662921	537659915	/nfs/dbraw/zinc/65/99/15/537659915.db2.gz	WQDXNJKISOTCGX-INIZCTEOSA-N	1	0	367.538	1.163	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000294131334	537664372	/nfs/dbraw/zinc/66/43/72/537664372.db2.gz	NTKAPLLEYKVTCU-RHSMWYFYSA-N	1	0	351.809	1.480	20	30		FDEDRO
C[NH+](C)CCn1nccc1NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000294192574	537672534	/nfs/dbraw/zinc/67/25/34/537672534.db2.gz	UNZPEDRNRHEABJ-OAHLLOKOSA-N	1	0	370.432	1.920	20	30		FDEDRO
CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000291995794	537697318	/nfs/dbraw/zinc/69/73/18/537697318.db2.gz	NMKQXVYMXHCEJZ-MRXNPFEDSA-N	1	0	358.490	1.905	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](CO)c1ccc(Br)cc1	ZINC000292049702	537702087	/nfs/dbraw/zinc/70/20/87/537702087.db2.gz	BDLWPJIGJPSMMH-GXFFZTMASA-N	1	0	370.247	1.472	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000292062001	537704729	/nfs/dbraw/zinc/70/47/29/537704729.db2.gz	BZXJJMKCXVSGBN-MJGOQNOKSA-N	1	0	364.405	1.718	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)nc1	ZINC000292073004	537705529	/nfs/dbraw/zinc/70/55/29/537705529.db2.gz	CVRXMKJEYXDQKW-HNNXBMFYSA-N	1	0	355.354	1.176	20	30		FDEDRO
COc1cc(NC(=O)CNc2ccc(C#N)cn2)ccc1OCC[NH+](C)C	ZINC000416334229	537808122	/nfs/dbraw/zinc/80/81/22/537808122.db2.gz	PPPRQVFJSGJGFY-UHFFFAOYSA-N	1	0	369.425	1.953	20	30		FDEDRO
CC1(C[NH+]2CCOCC2)CCN(CC(=O)NC2(C#N)CCCCC2)CC1	ZINC000371375322	537828336	/nfs/dbraw/zinc/82/83/36/537828336.db2.gz	UKOPNIBABYSTBH-UHFFFAOYSA-N	1	0	362.518	1.763	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)NCC1([NH3+])CCCCC1	ZINC000418911055	537838942	/nfs/dbraw/zinc/83/89/42/537838942.db2.gz	BKODSISUCZAMTQ-UHFFFAOYSA-N	1	0	374.510	1.685	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1	ZINC000416446631	537842546	/nfs/dbraw/zinc/84/25/46/537842546.db2.gz	QCCLSNHDSOUMSI-DJIMGWMZSA-N	1	0	356.536	1.497	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCc3nn(C(C)C)c(=O)cc3C2)CC1	ZINC000376200981	537845776	/nfs/dbraw/zinc/84/57/76/537845776.db2.gz	YIZPUORUTPNRML-UHFFFAOYSA-N	1	0	359.474	1.542	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NCc1ccccc1C[NH+]1CCCC1	ZINC000409554139	537860329	/nfs/dbraw/zinc/86/03/29/537860329.db2.gz	QVEXONJQHXTQHY-UHFFFAOYSA-N	1	0	350.488	1.852	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N1CC[NH+](CC2CCCCC2)CC1	ZINC000409573915	537861747	/nfs/dbraw/zinc/86/17/47/537861747.db2.gz	YPMZWOYVJSYTKC-UHFFFAOYSA-N	1	0	372.535	1.291	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N1CCC(C[NH+]2CCCCC2)CC1	ZINC000409577856	537863820	/nfs/dbraw/zinc/86/38/20/537863820.db2.gz	UKQPRHPSGMYOBO-UHFFFAOYSA-N	1	0	372.535	1.291	20	30		FDEDRO
COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3ccc(C#N)c(OC)c3)C2)nn1	ZINC000367024169	537921572	/nfs/dbraw/zinc/92/15/72/537921572.db2.gz	ORSDHYBWERENPL-OAHLLOKOSA-N	1	0	355.398	1.782	20	30		FDEDRO
N#CCCN(C(=O)C[NH2+][C@@H](CO)[C@H]1CCCOC1)c1cccc(Cl)c1	ZINC000411990757	537925234	/nfs/dbraw/zinc/92/52/34/537925234.db2.gz	IMKDGIUGNBAVMQ-YOEHRIQHSA-N	1	0	365.861	1.964	20	30		FDEDRO
COC(=O)c1ccnc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1	ZINC000415167944	537969614	/nfs/dbraw/zinc/96/96/14/537969614.db2.gz	IFERAHMRRGAPIM-UHFFFAOYSA-N	1	0	366.421	1.944	20	30		FDEDRO
C=CCC[C@@H](CO)NC(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1	ZINC000415255832	537988718	/nfs/dbraw/zinc/98/87/18/537988718.db2.gz	NBVYUIJRAZOKHN-LBPRGKRZSA-N	1	0	359.348	1.546	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)NCCC[NH2+]Cc1cccnc1	ZINC000415321048	538004793	/nfs/dbraw/zinc/00/47/93/538004793.db2.gz	XMJSGIPVWAKTOJ-UHFFFAOYSA-N	1	0	351.410	1.496	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)ccc1OC(F)(F)F	ZINC000415340251	538013174	/nfs/dbraw/zinc/01/31/74/538013174.db2.gz	ZULVRZBZNMYPGZ-SNVBAGLBSA-N	1	0	370.331	1.511	20	30		FDEDRO
C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000415344500	538016665	/nfs/dbraw/zinc/01/66/65/538016665.db2.gz	NQIKQALFSQXURN-SNVBAGLBSA-N	1	0	370.331	1.258	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNS(=O)(=O)CCC(C)(C)C#N)CC1	ZINC000377914635	538042811	/nfs/dbraw/zinc/04/28/11/538042811.db2.gz	NLNVDZKAGLXRKL-UHFFFAOYSA-N	1	0	365.503	1.193	20	30		FDEDRO
C[C@@H]1C[N@H+](CCO)[C@H](C)CN1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000419332403	538044188	/nfs/dbraw/zinc/04/41/88/538044188.db2.gz	HRNOFYJQZRFKHN-ZIAGYGMSSA-N	1	0	364.877	1.927	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000417570197	538050716	/nfs/dbraw/zinc/05/07/16/538050716.db2.gz	DAKXYUFAIBKZEX-UKPHBRMFSA-N	1	0	359.449	1.963	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@]12C(=O)Nc1ccccc12	ZINC000377982957	538053917	/nfs/dbraw/zinc/05/39/17/538053917.db2.gz	APUCNFSRFAZCFH-JLTOFOAXSA-N	1	0	350.422	1.487	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])ccc1OCC(F)(F)F	ZINC000415490983	538070743	/nfs/dbraw/zinc/07/07/43/538070743.db2.gz	WAPKKSBELUFHEU-GFCCVEGCSA-N	1	0	370.331	1.388	20	30		FDEDRO
N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)NCCCC[NH3+]	ZINC000418508990	538094764	/nfs/dbraw/zinc/09/47/64/538094764.db2.gz	LTBLMRDHOHNJTI-UHFFFAOYSA-N	1	0	355.446	1.297	20	30		FDEDRO
COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2CCC(C#N)CC2)cc1	ZINC000419888233	538131449	/nfs/dbraw/zinc/13/14/49/538131449.db2.gz	LMFQGJFLCDFHKA-MSOLQXFVSA-N	1	0	370.453	1.019	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[C@@H]1CCC[NH2+]C1	ZINC000419889453	538132776	/nfs/dbraw/zinc/13/27/76/538132776.db2.gz	MHKRLWKEVZOTFT-DNVCBOLYSA-N	1	0	366.465	1.678	20	30		FDEDRO
Cn1c(C#N)ccc1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO	ZINC000450522063	538139019	/nfs/dbraw/zinc/13/90/19/538139019.db2.gz	WDPMSOGGNNKKPS-SFHVURJKSA-N	1	0	352.438	1.783	20	30		FDEDRO
C=CCC[C@H]1NC(=O)N(CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1=O	ZINC000419931410	538153812	/nfs/dbraw/zinc/15/38/12/538153812.db2.gz	CXLVOXSRPFZBSH-OAHLLOKOSA-N	1	0	364.490	1.500	20	30		FDEDRO
COC(=O)C1CC[NH+](CCCNS(=O)(=O)CC(C)(C)CC#N)CC1	ZINC000451056578	538183460	/nfs/dbraw/zinc/18/34/60/538183460.db2.gz	OPBQPENESHINMM-UHFFFAOYSA-N	1	0	359.492	1.121	20	30		FDEDRO
C[C@H](C(=O)N1CCOCC1)N1CC[NH+](CCCCC(C)(C)C#N)CC1	ZINC000444601933	538184712	/nfs/dbraw/zinc/18/47/12/538184712.db2.gz	GGVHWECTKCBIAZ-QGZVFWFLSA-N	1	0	350.507	1.571	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+]	ZINC000420013742	538186945	/nfs/dbraw/zinc/18/69/45/538186945.db2.gz	JJOPGKIORBOINL-ZWKOTPCHSA-N	1	0	354.454	1.707	20	30		FDEDRO
N#CCC1(CS(=O)(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000451242274	538213968	/nfs/dbraw/zinc/21/39/68/538213968.db2.gz	MGKUUCNSBATLIS-SFHVURJKSA-N	1	0	363.483	1.237	20	30		FDEDRO
C=C(C)CN(C)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1	ZINC000420100942	538219255	/nfs/dbraw/zinc/21/92/55/538219255.db2.gz	NJHREFDTBJCNQU-BBRMVZONSA-N	1	0	351.397	1.561	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1	ZINC000424070535	538228511	/nfs/dbraw/zinc/22/85/11/538228511.db2.gz	SHHWTHICOROWFS-JKSUJKDBSA-N	1	0	359.430	1.947	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)cc1	ZINC000424094374	538234136	/nfs/dbraw/zinc/23/41/36/538234136.db2.gz	UFZYXBZOBNJWJM-OAHLLOKOSA-N	1	0	354.414	1.371	20	30		FDEDRO
Cc1cc(NC(=O)CNC(=O)[C@H]([NH3+])CCCC#N)ccc1Br	ZINC000424115091	538237025	/nfs/dbraw/zinc/23/70/25/538237025.db2.gz	UASCBTRHAPYYPH-CYBMUJFWSA-N	1	0	367.247	1.833	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1	ZINC000424116205	538239002	/nfs/dbraw/zinc/23/90/02/538239002.db2.gz	XCQDXIAPHGQBNL-KRWDZBQOSA-N	1	0	360.433	1.450	20	30		FDEDRO
C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)C(=O)Nc1cccc(N2CCCC2)c1	ZINC000424156764	538246957	/nfs/dbraw/zinc/24/69/57/538246957.db2.gz	OTOYERLOJDPSCB-WMLDXEAASA-N	1	0	357.458	1.751	20	30		FDEDRO
C=CCCn1cc(-c2nc(-c3cccc(N4CC[NH+](C)CC4)n3)no2)nn1	ZINC000424349867	538281912	/nfs/dbraw/zinc/28/19/12/538281912.db2.gz	RZVCAGFEDZGKMW-UHFFFAOYSA-N	1	0	366.429	1.718	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1	ZINC000424413989	538291985	/nfs/dbraw/zinc/29/19/85/538291985.db2.gz	GRFFHUIVTXECOT-HZPDHXFCSA-N	1	0	366.487	1.885	20	30		FDEDRO
C[C@H]1[NH2+]CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)[C@H]1C	ZINC000420427859	538292664	/nfs/dbraw/zinc/29/26/64/538292664.db2.gz	KTIHCYRSWOZSJL-ZJUUUORDSA-N	1	0	358.261	1.692	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1cc(OC)c(OC)c(OC)c1	ZINC000451679173	538301290	/nfs/dbraw/zinc/30/12/90/538301290.db2.gz	YJGQWSHLAJRHHE-KGLIPLIRSA-N	1	0	350.415	1.974	20	30		FDEDRO
C[C@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000447256163	538362691	/nfs/dbraw/zinc/36/26/91/538362691.db2.gz	KFMOKYSGUWHCBY-GXSJLCMTSA-N	1	0	358.261	1.679	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1	ZINC000447259556	538363638	/nfs/dbraw/zinc/36/36/38/538363638.db2.gz	YHKWHWXTGLMEMV-UHTWSYAYSA-N	1	0	350.400	1.214	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C)c2ccc3n[nH]cc3c2)CC1	ZINC000560508886	545530973	/nfs/dbraw/zinc/53/09/73/545530973.db2.gz	MKEQNQPSOVDEAT-DNVCBOLYSA-N	1	0	368.485	1.906	20	30		FDEDRO
COCCO[C@@H]1C[C@H](CO)C[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1	ZINC000447404038	538383144	/nfs/dbraw/zinc/38/31/44/538383144.db2.gz	RJNVYQAYTNSMIH-FUHWJXTLSA-N	1	0	361.442	1.233	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1	ZINC000425414704	538406146	/nfs/dbraw/zinc/40/61/46/538406146.db2.gz	FCOITRXBCXLGGK-PMACEKPBSA-N	1	0	372.513	1.824	20	30		FDEDRO
Cn1ncc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1C#N	ZINC000476663209	538543148	/nfs/dbraw/zinc/54/31/48/538543148.db2.gz	TYZKRKGYYQAMQD-MRXNPFEDSA-N	1	0	353.426	1.178	20	30		FDEDRO
COC(=O)C(C)(C)N1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000494429392	538545084	/nfs/dbraw/zinc/54/50/84/538545084.db2.gz	YKEFYMIMZVRCIA-UHFFFAOYSA-N	1	0	358.442	1.456	20	30		FDEDRO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NS(=O)(=O)N(C)CCC#N	ZINC000471884234	538549240	/nfs/dbraw/zinc/54/92/40/538549240.db2.gz	MDFDLFNZDUIHSN-VQFNDLOPSA-N	1	0	364.515	1.823	20	30		FDEDRO
Cc1cc(C[NH+]2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)ccc1C#N	ZINC000486808155	538567615	/nfs/dbraw/zinc/56/76/15/538567615.db2.gz	JZZZSFKCZCVDKD-UHFFFAOYSA-N	1	0	368.481	1.803	20	30		FDEDRO
C[NH+](C)C1(CNS(=O)(=O)Cc2cc(C#N)ccc2F)CCOCC1	ZINC000500960371	538586096	/nfs/dbraw/zinc/58/60/96/538586096.db2.gz	QJICVDVCWBWDFA-UHFFFAOYSA-N	1	0	355.435	1.228	20	30		FDEDRO
Cn1ncc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1C#N	ZINC000477119855	538600285	/nfs/dbraw/zinc/60/02/85/538600285.db2.gz	VKUHJNDGMQUDNL-MRXNPFEDSA-N	1	0	353.426	1.313	20	30		FDEDRO
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1	ZINC000501110006	538623372	/nfs/dbraw/zinc/62/33/72/538623372.db2.gz	RXWJWDSNHUPNFX-MBOZVWFJSA-N	1	0	361.534	1.285	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@@H](C)n1cnc(C#N)n1	ZINC000467261291	538635207	/nfs/dbraw/zinc/63/52/07/538635207.db2.gz	UGBIESPLEDDPNU-WBVHZDCISA-N	1	0	367.457	1.619	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1	ZINC000495543375	538669515	/nfs/dbraw/zinc/66/95/15/538669515.db2.gz	BDWIEKYNVZZRIO-HZPDHXFCSA-N	1	0	372.469	1.367	20	30		FDEDRO
C[NH+](C)CCOCCNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1	ZINC000473771944	538799234	/nfs/dbraw/zinc/79/92/34/538799234.db2.gz	GVQVGFHQCYJKRL-UHFFFAOYSA-N	1	0	360.393	1.583	20	30		FDEDRO
Cc1cc(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)nn1-c1cccc(C#N)c1	ZINC000506474587	538874630	/nfs/dbraw/zinc/87/46/30/538874630.db2.gz	NQGIICCLNIHQIF-MRXNPFEDSA-N	1	0	366.469	1.418	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(Nc2ccc3cc(C#N)ccc3n2)CC1	ZINC000560841256	545617398	/nfs/dbraw/zinc/61/73/98/545617398.db2.gz	YZSQLVGDIJMDJO-UHFFFAOYSA-N	1	0	351.454	2.461	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)CC1	ZINC000561415306	545839968	/nfs/dbraw/zinc/83/99/68/545839968.db2.gz	QGZZXEJJXVBVSE-HNNXBMFYSA-N	1	0	359.470	1.548	20	30		FDEDRO
CC1(C)OCC[C@H]1[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000562543241	546172719	/nfs/dbraw/zinc/17/27/19/546172719.db2.gz	YBRAGYDUOUJEND-GDBMZVCRSA-N	1	0	362.499	1.614	20	30		FDEDRO
CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000562813615	546280412	/nfs/dbraw/zinc/28/04/12/546280412.db2.gz	KMXURUXSNHUOIV-MSOLQXFVSA-N	1	0	369.469	1.443	20	30		FDEDRO
Cc1c(Cl)cccc1NC(=O)CC[NH2+]C[C@@H](O)CN(C)CCC#N	ZINC000562984618	546340679	/nfs/dbraw/zinc/34/06/79/546340679.db2.gz	DQUVXIJEFDUTGN-CQSZACIVSA-N	1	0	352.866	1.773	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1	ZINC000563057371	546375895	/nfs/dbraw/zinc/37/58/95/546375895.db2.gz	SLPMXEYSDZERTA-DLBZAZTESA-N	1	0	364.877	1.851	20	30		FDEDRO
N#CCc1ccc(CNC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1	ZINC000563091365	546399121	/nfs/dbraw/zinc/39/91/21/546399121.db2.gz	YSELFFZFBIEKKT-MJGOQNOKSA-N	1	0	369.469	1.199	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+]	ZINC000563142413	546422697	/nfs/dbraw/zinc/42/26/97/546422697.db2.gz	OATMOHCMMRMBDL-NXHRZFHOSA-N	1	0	357.454	1.169	20	30		FDEDRO
N#CCC1(CS(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1	ZINC000333391640	676769170	/nfs/dbraw/zinc/76/91/70/676769170.db2.gz	HCMTVXGYJJZHQN-UHFFFAOYSA-N	1	0	357.545	1.961	20	30		FDEDRO
C=CCN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)c1nc2c(s1)CCCC2	ZINC000563623317	546620276	/nfs/dbraw/zinc/62/02/76/546620276.db2.gz	QWRPTZQGMOXMKK-AWEZNQCLSA-N	1	0	362.499	1.799	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(c2cccc(-n3cccn3)c2C#N)CC1	ZINC000564668362	546996283	/nfs/dbraw/zinc/99/62/83/546996283.db2.gz	SIDIHGJXFQLUMU-UHFFFAOYSA-N	1	0	366.469	1.734	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000564856383	547070546	/nfs/dbraw/zinc/07/05/46/547070546.db2.gz	GSCULCJZRSSAKN-DAYGRLMNSA-N	1	0	362.474	1.876	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1	ZINC000564955781	547127016	/nfs/dbraw/zinc/12/70/16/547127016.db2.gz	ZTQSFXZUJUXBAK-LJQANCHMSA-N	1	0	368.481	1.846	20	30		FDEDRO
C[N@H+](CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H]1CCSC1	ZINC000565153917	547223411	/nfs/dbraw/zinc/22/34/11/547223411.db2.gz	DSFFJCRGRHJEMR-IRXDYDNUSA-N	1	0	372.494	1.213	20	30		FDEDRO
C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000565346156	547313944	/nfs/dbraw/zinc/31/39/44/547313944.db2.gz	ODALDEKSCMOMML-ULQDDVLXSA-N	1	0	361.490	1.863	20	30		FDEDRO
N#CCCN(CCN1CCOCC1)C(=O)Nc1ccc2c(c1)C[NH2+]CC2	ZINC000565352448	547316777	/nfs/dbraw/zinc/31/67/77/547316777.db2.gz	ZZDBDGKMEOWPSL-UHFFFAOYSA-N	1	0	357.458	1.412	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c1	ZINC000565959310	547548244	/nfs/dbraw/zinc/54/82/44/547548244.db2.gz	MBUNANMECWHCMN-WDSOQIARSA-N	1	0	358.486	1.545	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000565970837	547551863	/nfs/dbraw/zinc/55/18/63/547551863.db2.gz	CKPZXLZYLVRAKG-UHFFFAOYSA-N	1	0	372.922	1.716	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)cc1	ZINC000566106769	547606864	/nfs/dbraw/zinc/60/68/64/547606864.db2.gz	ZHQMRRLTJOWYQN-JKSUJKDBSA-N	1	0	371.403	1.966	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2CCOC3(CCOCC3)C2)c1	ZINC000566114726	547611354	/nfs/dbraw/zinc/61/13/54/547611354.db2.gz	DMAUHFIELHBKGB-INIZCTEOSA-N	1	0	364.467	1.650	20	30		FDEDRO
C[C@H]([NH3+])C[C@H](C)NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000566194115	547652453	/nfs/dbraw/zinc/65/24/53/547652453.db2.gz	ZYXKDYCERKQBFI-KBPBESRZSA-N	1	0	369.473	1.684	20	30		FDEDRO
N#Cc1ccc(NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)nc1N	ZINC000566572984	547813059	/nfs/dbraw/zinc/81/30/59/547813059.db2.gz	ZQLXZZQIHBWLME-UHFFFAOYSA-N	1	0	364.453	1.845	20	30		FDEDRO
C[N@H+](C[C@H](O)CN1CCN([C@H](C#N)c2cccc(Cl)c2)CC1)C1CC1	ZINC000567002413	547960143	/nfs/dbraw/zinc/96/01/43/547960143.db2.gz	OKKHKFOPHDHXLD-RBUKOAKNSA-N	1	0	362.905	1.977	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C	ZINC000567296199	548067232	/nfs/dbraw/zinc/06/72/32/548067232.db2.gz	FECAXJZMJLAELR-BZSNNMDCSA-N	1	0	365.518	1.855	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(CC(=O)NC3CC[NH+](C4CC4)CC3)C2)nc1	ZINC000567327226	548078528	/nfs/dbraw/zinc/07/85/28/548078528.db2.gz	GKKDQALIZKUCOG-GOSISDBHSA-N	1	0	369.469	1.149	20	30		FDEDRO
COC[C@]1(CNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCC[NH2+]1	ZINC000567455129	548122770	/nfs/dbraw/zinc/12/27/70/548122770.db2.gz	UVNWEUWRILOFIK-AZUAARDMSA-N	1	0	371.485	1.175	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)n2)c(Cl)c1	ZINC000567569970	548163823	/nfs/dbraw/zinc/16/38/23/548163823.db2.gz	SOIJVCYUMXPUDY-UONOGXRCSA-N	1	0	370.844	2.471	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cc2C1=O	ZINC000567668273	548202226	/nfs/dbraw/zinc/20/22/26/548202226.db2.gz	CIGIFDDDAICPFW-IAOVAPTHSA-N	1	0	353.422	1.668	20	30		FDEDRO
Cc1ccc([C@H](OC[C@H](O)C[NH2+]CC(=O)NCC#N)c2ccccc2)cc1	ZINC000567707384	548222852	/nfs/dbraw/zinc/22/28/52/548222852.db2.gz	SASMZJJBKFMJKR-TZIWHRDSSA-N	1	0	367.449	1.691	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)cc1	ZINC000567787596	548258733	/nfs/dbraw/zinc/25/87/33/548258733.db2.gz	YJVFOPPIPMSUAE-OAHLLOKOSA-N	1	0	369.429	1.590	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)n1	ZINC000567834841	548280947	/nfs/dbraw/zinc/28/09/47/548280947.db2.gz	JCDKPOOUIUDULP-KRWDZBQOSA-N	1	0	363.421	1.673	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCS2(=O)=O)c(OC)c1	ZINC000568078235	548389424	/nfs/dbraw/zinc/38/94/24/548389424.db2.gz	KUGDCPGOBRCZGD-CVEARBPZSA-N	1	0	369.483	1.330	20	30		FDEDRO
CCCN(CC[NH+]1CCCCCC1)C(=O)C(=O)N=c1ccn(CCC#N)[nH]1	ZINC000568559539	548586523	/nfs/dbraw/zinc/58/65/23/548586523.db2.gz	MANUBOBWMREMPT-UHFFFAOYSA-N	1	0	374.489	1.850	20	30		FDEDRO
C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	ZINC000568867040	548712483	/nfs/dbraw/zinc/71/24/83/548712483.db2.gz	OEWCNUGTNMWIIT-VBJONLRCSA-N	1	0	372.469	1.606	20	30		FDEDRO
Cc1oc(NC(=O)[C@H](C)N(C)CCC[N@H+](C)CCN(C)C)c(C#N)c1C	ZINC000568928782	548733075	/nfs/dbraw/zinc/73/30/75/548733075.db2.gz	FEDQFTUDVTXGMN-HNNXBMFYSA-N	1	0	363.506	1.910	20	30		FDEDRO
CC[NH+](CC)CCS(=O)(=O)N1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000569038953	548775586	/nfs/dbraw/zinc/77/55/86/548775586.db2.gz	YCGUCDAOVIRYMB-UHFFFAOYSA-N	1	0	364.515	1.347	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCc2nc(COC)nn2C1	ZINC000569351077	548886775	/nfs/dbraw/zinc/88/67/75/548886775.db2.gz	MJHRQFINNDFDAS-IAGOWNOFSA-N	1	0	372.469	1.497	20	30		FDEDRO
CC[C@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000569433583	548915566	/nfs/dbraw/zinc/91/55/66/548915566.db2.gz	QOHFISIXCQJKSP-ROUUACIJSA-N	1	0	369.469	1.395	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1	ZINC000570110910	549162284	/nfs/dbraw/zinc/16/22/84/549162284.db2.gz	JMZUUMUBKNFQAK-UHFFFAOYSA-N	1	0	369.469	1.004	20	30		FDEDRO
CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC(=O)N(C)C3(C#N)CCCCC3)[C@@H]2C1	ZINC000570314248	549236290	/nfs/dbraw/zinc/23/62/90/549236290.db2.gz	IDOJYJIXTCTRFN-RCCFBDPRSA-N	1	0	360.502	1.908	20	30		FDEDRO
CCC(CC)[C@@H](C[NH2+]Cc1cnc2c(C#N)cnn2c1)N1CCOCC1	ZINC000570531367	549313855	/nfs/dbraw/zinc/31/38/55/549313855.db2.gz	CMLQHQBAXANUOC-GOSISDBHSA-N	1	0	356.474	1.828	20	30		FDEDRO
C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N2CCC(C#N)CC2)cc1	ZINC000570808967	549420528	/nfs/dbraw/zinc/42/05/28/549420528.db2.gz	DXXVKZHCFCZHBI-UHFFFAOYSA-N	1	0	372.469	1.395	20	30		FDEDRO
CO[C@H]1C[C@@H]([NH2+]CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C12CCC2	ZINC000571024115	549496146	/nfs/dbraw/zinc/49/61/46/549496146.db2.gz	WIAQTQOTCXQFEB-CVEARBPZSA-N	1	0	373.457	1.051	20	30		FDEDRO
N#CCC[C@@H](C#N)C[NH2+]C[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1	ZINC000571382588	549623210	/nfs/dbraw/zinc/62/32/10/549623210.db2.gz	XITQYXWBFDVYMS-ROUUACIJSA-N	1	0	372.444	1.876	20	30		FDEDRO
C[NH+](C)CCCOc1cccc(NC(=O)C(=O)Nc2cccc(C#N)n2)c1	ZINC000571560087	549690388	/nfs/dbraw/zinc/69/03/88/549690388.db2.gz	FRNYLFQQDUVDQH-UHFFFAOYSA-N	1	0	367.409	1.861	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccncc1OCC[NH+](C)C	ZINC000572277080	549881077	/nfs/dbraw/zinc/88/10/77/549881077.db2.gz	DMEGBMQHUNYOEI-SJLPKXTDSA-N	1	0	362.474	1.802	20	30		FDEDRO
C=C(C)[C@H](NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1ccc(F)c(F)c1	ZINC000572303986	549886030	/nfs/dbraw/zinc/88/60/30/549886030.db2.gz	BJSLAUSAMVRNMK-KCXAZCMYSA-N	1	0	364.396	1.535	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+]	ZINC000572731357	549982065	/nfs/dbraw/zinc/98/20/65/549982065.db2.gz	QKTFJGXISCPESM-ZBFHGGJFSA-N	1	0	358.442	1.172	20	30		FDEDRO
CSC1(CNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC[NH+](C)CC1	ZINC000573026136	550046916	/nfs/dbraw/zinc/04/69/16/550046916.db2.gz	SJRWTCQSHCSMFE-UHFFFAOYSA-N	1	0	364.446	1.579	20	30		FDEDRO
C/C=C/c1ccc(OC[C@@H](O)C[NH2+]CCn2cnc(C#N)n2)c(OC)c1	ZINC000573199771	550085334	/nfs/dbraw/zinc/08/53/34/550085334.db2.gz	FBOZVAKOVMBZAM-BWPKMQGJSA-N	1	0	357.414	1.221	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H]1C[C@@H](O)C1(C)C	ZINC000573217848	550090174	/nfs/dbraw/zinc/09/01/74/550090174.db2.gz	SAIOMBXDBUSHCV-HZPDHXFCSA-N	1	0	362.474	1.701	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H]2CC(=O)N(c3ccccc3)C2)cc1	ZINC000573357537	550119808	/nfs/dbraw/zinc/11/98/08/550119808.db2.gz	DCLWLYOFPHUTNY-WMZOPIPTSA-N	1	0	351.406	1.693	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)cc1	ZINC000573357531	550119856	/nfs/dbraw/zinc/11/98/56/550119856.db2.gz	DCLWLYOFPHUTNY-AEFFLSMTSA-N	1	0	351.406	1.693	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCCN(c3cccnc3)C2=O)cc1	ZINC000574311898	550293769	/nfs/dbraw/zinc/29/37/69/550293769.db2.gz	FIVXKEQFDNRKNY-MJGOQNOKSA-N	1	0	366.421	1.478	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCCN(c3cccnc3)C2=O)cc1	ZINC000574311896	550293869	/nfs/dbraw/zinc/29/38/69/550293869.db2.gz	FIVXKEQFDNRKNY-HKUYNNGSSA-N	1	0	366.421	1.478	20	30		FDEDRO
C[C@H]1CN(CCO)CCN1C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000574616018	550342244	/nfs/dbraw/zinc/34/22/44/550342244.db2.gz	WIGNIPDTDDPTHJ-GOEBONIOSA-N	1	0	360.433	1.049	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@H]1CN(c2ccccc2)CCO1	ZINC000574820741	550376225	/nfs/dbraw/zinc/37/62/25/550376225.db2.gz	XGAHIMWCMYSLRC-INIZCTEOSA-N	1	0	354.458	1.633	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+][C@H]3CCc4nnnn4CC3)CC2)cc1	ZINC000574868363	550383845	/nfs/dbraw/zinc/38/38/45/550383845.db2.gz	YOBHIOOPKJRUJI-KRWDZBQOSA-N	1	0	351.458	1.504	20	30		FDEDRO
COc1c(N)ncnc1N1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000574926405	550394313	/nfs/dbraw/zinc/39/43/13/550394313.db2.gz	BQZFURFFSKOLJR-UHFFFAOYSA-N	1	0	361.409	1.814	20	30		FDEDRO
Cc1c(I)cn(CC2CC[NH2+]CC2)c(=O)c1C#N	ZINC000575057385	550417475	/nfs/dbraw/zinc/41/74/75/550417475.db2.gz	TVPFXQWZLUDOEW-UHFFFAOYSA-N	1	0	357.195	1.633	20	30		FDEDRO
C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)C1	ZINC000575372681	550458592	/nfs/dbraw/zinc/45/85/92/550458592.db2.gz	RBEVBQUXKDLFRO-AWEZNQCLSA-N	1	0	358.417	1.826	20	30		FDEDRO
CCCN(CC[NH+]1CCCCCC1)S(=O)(=O)N1CCO[C@@H](C#N)C1	ZINC000576022433	550502701	/nfs/dbraw/zinc/50/27/01/550502701.db2.gz	FQZPCFVFHOSSEY-INIZCTEOSA-N	1	0	358.508	1.044	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)CC1(C#N)CCC1	ZINC000576385943	550543426	/nfs/dbraw/zinc/54/34/26/550543426.db2.gz	JVLCWLRYABXWAE-UHFFFAOYSA-N	1	0	360.483	1.946	20	30		FDEDRO
Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000576459128	550551243	/nfs/dbraw/zinc/55/12/43/550551243.db2.gz	KKFGGKRUJHHVMK-GFCCVEGCSA-N	1	0	361.471	1.298	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)cn1	ZINC000576684525	550574959	/nfs/dbraw/zinc/57/49/59/550574959.db2.gz	BSPAGNMUMYAIQH-INIZCTEOSA-N	1	0	364.471	1.219	20	30		FDEDRO
CC[N@H+](Cc1ccc(C(=O)N2CCN(C(=O)CC#N)CC2)cc1)C1CC1	ZINC000576788534	550586088	/nfs/dbraw/zinc/58/60/88/550586088.db2.gz	SKOSBCQESBZFAS-UHFFFAOYSA-N	1	0	354.454	1.869	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3C[C@H]4C[NH2+]CC[C@@H]4C3)C2)c(F)c1	ZINC000577474682	550659731	/nfs/dbraw/zinc/65/97/31/550659731.db2.gz	GKUNZPLJNZYDKC-ZACQAIPSSA-N	1	0	371.460	1.917	20	30		FDEDRO
C[NH+]1CCN(C[C@@H](NC(=O)N[C@@H]2CC[C@H](C#N)C2)c2ccccc2)CC1	ZINC000577505625	550664307	/nfs/dbraw/zinc/66/43/07/550664307.db2.gz	HXAPYZXJIBCBBV-QXAKKESOSA-N	1	0	355.486	1.967	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NC1CCC(N2CC[NH2+]CC2)CC1	ZINC000577831971	550698877	/nfs/dbraw/zinc/69/88/77/550698877.db2.gz	AZOILDXBQDCBRH-AQEOSJORSA-N	1	0	350.507	1.483	20	30		FDEDRO
Cc1cccc(C[C@H](CO)[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)c1	ZINC000577850687	550701655	/nfs/dbraw/zinc/70/16/55/550701655.db2.gz	GXWMDHITZLJEGK-WOJBJXKFSA-N	1	0	354.450	1.994	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)NCCC3=CC[NH2+]CC3)CC2)c1C#N	ZINC000577942578	550710680	/nfs/dbraw/zinc/71/06/80/550710680.db2.gz	SZZYMVJTQAPCLD-UHFFFAOYSA-N	1	0	360.487	1.465	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@H]1CCCOC1	ZINC000577943984	550711002	/nfs/dbraw/zinc/71/10/02/550711002.db2.gz	MXGNHBLYZTVEDG-JKSUJKDBSA-N	1	0	362.499	1.568	20	30		FDEDRO
COc1cc(CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)ccc1C#N	ZINC000577994557	550716535	/nfs/dbraw/zinc/71/65/35/550716535.db2.gz	KHWZBONZWWNFNY-UHFFFAOYSA-N	1	0	372.469	1.821	20	30		FDEDRO
CCCN(C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CC[NH2+]C1	ZINC000578121771	550729996	/nfs/dbraw/zinc/72/99/96/550729996.db2.gz	NDCJGAVTFPDWHP-QZTJIDSGSA-N	1	0	369.469	1.837	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@](C)(O)C1)C(C)C	ZINC000578148787	550733199	/nfs/dbraw/zinc/73/31/99/550733199.db2.gz	ZELZPUHUKBECDN-APWZRJJASA-N	1	0	351.491	1.175	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1	ZINC000578625755	550784178	/nfs/dbraw/zinc/78/41/78/550784178.db2.gz	KFECZQZGHKJGPP-SFHVURJKSA-N	1	0	354.454	1.456	20	30		FDEDRO
COCC[NH2+]C1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1	ZINC000578779399	550801608	/nfs/dbraw/zinc/80/16/08/550801608.db2.gz	VGUFSORTMCKBIP-UHFFFAOYSA-N	1	0	364.833	1.377	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C[C@@H](O)COc1ccc(Oc2ccccc2)cc1	ZINC000578880868	550811498	/nfs/dbraw/zinc/81/14/98/550811498.db2.gz	LWCIHAJAAFXTQJ-OAHLLOKOSA-N	1	0	355.394	1.448	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)c2nc(C)cs2)CC1	ZINC000579215553	550848371	/nfs/dbraw/zinc/84/83/71/550848371.db2.gz	QCOIERTUABGSSV-GFCCVEGCSA-N	1	0	350.488	1.438	20	30		FDEDRO
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N(C)CCC[NH3+])c1C	ZINC000579376122	550867219	/nfs/dbraw/zinc/86/72/19/550867219.db2.gz	ZQSWKVIKQISFOW-UHFFFAOYSA-N	1	0	354.414	1.107	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1	ZINC000579613200	550892612	/nfs/dbraw/zinc/89/26/12/550892612.db2.gz	HSGSIYQCLSRLSA-IRXDYDNUSA-N	1	0	351.491	1.594	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1	ZINC000579696318	550900365	/nfs/dbraw/zinc/90/03/65/550900365.db2.gz	UIKBJLNHSVIXBM-KRWDZBQOSA-N	1	0	352.438	1.426	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]CC(=O)N2CCCc3ccccc32)cc1	ZINC000579823616	550913664	/nfs/dbraw/zinc/91/36/64/550913664.db2.gz	BWVCONOHCRLIST-GOSISDBHSA-N	1	0	365.433	1.867	20	30		FDEDRO
CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)Nc1cccc(C#N)n1	ZINC000580310424	550965246	/nfs/dbraw/zinc/96/52/46/550965246.db2.gz	PHBXXVPEROWDBH-UHFFFAOYSA-N	1	0	355.398	1.465	20	30		FDEDRO
COCCN(Cc1cnccc1OC)S(=O)(=O)c1ccc(C#N)cc1	ZINC000580370051	550971716	/nfs/dbraw/zinc/97/17/16/550971716.db2.gz	PXRYHTORKJVZKU-UHFFFAOYSA-N	1	0	361.423	1.799	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000580436029	550982283	/nfs/dbraw/zinc/98/22/83/550982283.db2.gz	QMNGNUULJWFDKQ-CZUORRHYSA-N	1	0	354.428	1.939	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1	ZINC000580564158	550995757	/nfs/dbraw/zinc/99/57/57/550995757.db2.gz	MOWWNQMIYIWMSU-MFKMUULPSA-N	1	0	370.272	1.693	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)n2)c(Cl)c1	ZINC000580999894	551041801	/nfs/dbraw/zinc/04/18/01/551041801.db2.gz	FPHCNUQOIIWMTE-KGLIPLIRSA-N	1	0	370.844	2.471	20	30		FDEDRO
Cn1ccnc1[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CCO1	ZINC000581067136	551048297	/nfs/dbraw/zinc/04/82/97/551048297.db2.gz	WTSAIJMWMLOGJG-WBVHZDCISA-N	1	0	374.466	1.575	20	30		FDEDRO
Cn1nccc1[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)CCO1	ZINC000581306083	551074304	/nfs/dbraw/zinc/07/43/04/551074304.db2.gz	NTSMPJLBWWVDLF-BXWFABGCSA-N	1	0	356.426	1.541	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H]3CCC[C@@H]([NH3+])C3)C2=O)cc1	ZINC000581674178	551121055	/nfs/dbraw/zinc/12/10/55/551121055.db2.gz	TVFJKEMYYQSBFF-KSZLIROESA-N	1	0	369.469	1.476	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CC[N@H+](C)[C@H](C(C)C)C1	ZINC000581702064	551124134	/nfs/dbraw/zinc/12/41/34/551124134.db2.gz	PCMXEHFBFRTDLN-INIZCTEOSA-N	1	0	367.457	2.251	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H](c2ccsc2)N(C)C)ncc1C#N	ZINC000581734380	551129408	/nfs/dbraw/zinc/12/94/08/551129408.db2.gz	JEXURWNDHLDGIM-CQSZACIVSA-N	1	0	357.439	1.681	20	30		FDEDRO
N#Cc1cccc(NC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1	ZINC000581942224	551153277	/nfs/dbraw/zinc/15/32/77/551153277.db2.gz	DYVMNORDMRDQTR-LJQANCHMSA-N	1	0	351.410	1.712	20	30		FDEDRO
N#Cc1cncc(S(=O)(=O)NCc2nccn2CCc2ccccc2)c1	ZINC000582151246	551182771	/nfs/dbraw/zinc/18/27/71/551182771.db2.gz	OPFSCQISMVXJLT-UHFFFAOYSA-N	1	0	367.434	1.871	20	30		FDEDRO
CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(C#N)cc21	ZINC000582211072	551191115	/nfs/dbraw/zinc/19/11/15/551191115.db2.gz	UXTJQBZKTHXRJJ-SJLPKXTDSA-N	1	0	362.499	1.796	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1	ZINC000582229660	551193306	/nfs/dbraw/zinc/19/33/06/551193306.db2.gz	PNGUOPOCXVZGGD-KRWDZBQOSA-N	1	0	370.453	1.742	20	30		FDEDRO
N#Cc1cccc(CS(=O)(=O)NC2CCC(N3CC[NH2+]CC3)CC2)c1	ZINC000582232105	551194234	/nfs/dbraw/zinc/19/42/34/551194234.db2.gz	HLFQHXBBCARJCE-UHFFFAOYSA-N	1	0	362.499	1.194	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H](CCO)c1ccccc1Br	ZINC000582486184	551230682	/nfs/dbraw/zinc/23/06/82/551230682.db2.gz	HJPOVAHPGPRAMK-CJNGLKHVSA-N	1	0	370.291	1.669	20	30		FDEDRO
C[NH+](C)CC1CCC(NC(=O)N2CCN(c3cnccc3C#N)CC2)CC1	ZINC000582821311	551270240	/nfs/dbraw/zinc/27/02/40/551270240.db2.gz	LXWJJVVJNXNXFB-UHFFFAOYSA-N	1	0	370.501	1.905	20	30		FDEDRO
C[C@H](C#N)CN(C)C(=O)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1	ZINC000582976287	551287449	/nfs/dbraw/zinc/28/74/49/551287449.db2.gz	OYAFZCBRYDFOEY-AEFFLSMTSA-N	1	0	356.470	1.380	20	30		FDEDRO
Cn1cc(N2CCC[C@@H]([NH2+]CCS(=O)(=O)c3ccc(C#N)cc3)C2)cn1	ZINC000583199336	551317654	/nfs/dbraw/zinc/31/76/54/551317654.db2.gz	KONKMYHGSBJTMI-MRXNPFEDSA-N	1	0	373.482	1.324	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCN(C(=O)CC)C2)c(OC)c1	ZINC000583258817	551326112	/nfs/dbraw/zinc/32/61/12/551326112.db2.gz	UCOSAOXOCZQYFL-IAGOWNOFSA-N	1	0	362.470	1.764	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)CN1CCc2cc(OC)c(OC)cc2C1	ZINC000583306400	551332555	/nfs/dbraw/zinc/33/25/55/551332555.db2.gz	OCXOJWZSMATSBY-SJORKVTESA-N	1	0	360.454	1.912	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1	ZINC000583378856	551342581	/nfs/dbraw/zinc/34/25/81/551342581.db2.gz	PXUWRJDAJLKNJP-CQSZACIVSA-N	1	0	363.849	1.933	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)n1	ZINC000583458137	551354943	/nfs/dbraw/zinc/35/49/43/551354943.db2.gz	QFEFTGNVTFZZQU-INIZCTEOSA-N	1	0	359.478	1.494	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCC2(c3cccc(F)c3)CC2)CC1	ZINC000584368159	551487386	/nfs/dbraw/zinc/48/73/86/551487386.db2.gz	AVTILISWZKZUBY-UHFFFAOYSA-N	1	0	359.445	1.740	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCc1ccc(C#N)cc1F	ZINC000585777652	551598223	/nfs/dbraw/zinc/59/82/23/551598223.db2.gz	TXZURFAVDYONCL-KBPBESRZSA-N	1	0	360.433	1.550	20	30		FDEDRO
C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCc1ccc(C#N)cc1F	ZINC000585777725	551598441	/nfs/dbraw/zinc/59/84/41/551598441.db2.gz	RLKLRVIOBOQCFN-RBSFLKMASA-N	1	0	374.460	1.796	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1	ZINC000585800664	551606975	/nfs/dbraw/zinc/60/69/75/551606975.db2.gz	DVZVCDMZDFDRRP-AFYVEPGGSA-N	1	0	360.454	1.550	20	30		FDEDRO
CN(C(=O)Cc1c(F)cccc1C#N)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000586779730	551618702	/nfs/dbraw/zinc/61/87/02/551618702.db2.gz	LUXMNPSIOFTHSK-QGZVFWFLSA-N	1	0	358.461	1.867	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)NCc1ccc(C#N)cc1F)[NH+]1CCC(C)CC1	ZINC000586827775	551623105	/nfs/dbraw/zinc/62/31/05/551623105.db2.gz	GINCKVLIUFVVIN-CQSZACIVSA-N	1	0	360.433	1.550	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1ccc(C#N)cc1F	ZINC000586859349	551626676	/nfs/dbraw/zinc/62/66/76/551626676.db2.gz	ZXQAJDLTDKTWEB-CVEARBPZSA-N	1	0	358.417	1.399	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)NCc1ccc(C#N)cc1F)[N@@H+]1CCC[C@@H](C)C1	ZINC000586863522	551627518	/nfs/dbraw/zinc/62/75/18/551627518.db2.gz	PZOVUVHIPKAMLX-ZIAGYGMSSA-N	1	0	360.433	1.550	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)c1cccc(C#N)c1	ZINC000587674977	551633850	/nfs/dbraw/zinc/63/38/50/551633850.db2.gz	ROROXVIXQXUVLO-KXBFYZLASA-N	1	0	368.481	1.926	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)c1cccc(C#N)c1	ZINC000587719485	551634640	/nfs/dbraw/zinc/63/46/40/551634640.db2.gz	RJEAHECRMBYBCJ-CRAIPNDOSA-N	1	0	372.469	1.305	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C)C1	ZINC000587715705	551634756	/nfs/dbraw/zinc/63/47/56/551634756.db2.gz	FZNFZYGVGPEAOO-PMPSAXMXSA-N	1	0	356.470	1.972	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)[C@@H](C)C1	ZINC000587720011	551635084	/nfs/dbraw/zinc/63/50/84/551635084.db2.gz	UIMBHFIVMUVEIN-DAYGRLMNSA-N	1	0	356.470	1.924	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)c1cccc(C#N)c1	ZINC000587741693	551635405	/nfs/dbraw/zinc/63/54/05/551635405.db2.gz	XFDFXMCYGLPCTE-KBXCAEBGSA-N	1	0	354.454	1.869	20	30		FDEDRO
COC(=O)C[C@@](C)([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccncc1	ZINC000589164655	551714329	/nfs/dbraw/zinc/71/43/29/551714329.db2.gz	OJYKGTIVSTUJGO-FXAWDEMLSA-N	1	0	369.421	1.761	20	30		FDEDRO
C[C@H](c1ccccc1)[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)C(N)=O	ZINC000590000494	551755841	/nfs/dbraw/zinc/75/58/41/551755841.db2.gz	KQSUKUDRMMGAFI-BPAFIMBUSA-N	1	0	367.449	1.740	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21	ZINC000590279979	551769329	/nfs/dbraw/zinc/76/93/29/551769329.db2.gz	FSDATZSNVITQFO-HOCLYGCPSA-N	1	0	356.426	1.446	20	30		FDEDRO
C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000590403916	551780870	/nfs/dbraw/zinc/78/08/70/551780870.db2.gz	QBSFPZXKIXZSTK-BBRMVZONSA-N	1	0	364.471	1.043	20	30		FDEDRO
N#Cc1cc(O)cc(C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1	ZINC000590516561	551789113	/nfs/dbraw/zinc/78/91/13/551789113.db2.gz	BKHIKJLCEKRCNO-LJQANCHMSA-N	1	0	351.406	1.413	20	30		FDEDRO
COC1CC[NH+](CCNS(=O)(=O)Cc2ccc(F)cc2C#N)CC1	ZINC000590749245	551811565	/nfs/dbraw/zinc/81/15/65/551811565.db2.gz	FNXRYHLWIRSXBC-UHFFFAOYSA-N	1	0	355.435	1.228	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)N2CCC[C@](C)(C#N)C2)(N2CCOCC2)CC1	ZINC000591204637	551850984	/nfs/dbraw/zinc/85/09/84/551850984.db2.gz	QHFDFWIIBQTSQH-GOSISDBHSA-N	1	0	363.506	1.118	20	30		FDEDRO
N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCC[NH2+]CC3)cn2)cc1	ZINC000591289715	551856655	/nfs/dbraw/zinc/85/66/55/551856655.db2.gz	FVHNLSAPOQUGCL-UHFFFAOYSA-N	1	0	365.393	1.506	20	30		FDEDRO
CC[NH2+]CCCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	ZINC000591290185	551856942	/nfs/dbraw/zinc/85/69/42/551856942.db2.gz	LZXPCEPBIADIFH-UHFFFAOYSA-N	1	0	367.409	1.800	20	30		FDEDRO
N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)cn2)cc1	ZINC000591294618	551857409	/nfs/dbraw/zinc/85/74/09/551857409.db2.gz	SCIYGRQZXWJBCZ-AWEZNQCLSA-N	1	0	365.393	1.552	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC[NH2+]1	ZINC000591295715	551857666	/nfs/dbraw/zinc/85/76/66/551857666.db2.gz	FVVFULKQZFVHMG-ZDUSSCGKSA-N	1	0	365.393	1.504	20	30		FDEDRO
CC1([NH3+])CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1	ZINC000591303219	551858835	/nfs/dbraw/zinc/85/88/35/551858835.db2.gz	NYUPULUXJKJNKE-UHFFFAOYSA-N	1	0	365.231	1.599	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1	ZINC000591308453	551860309	/nfs/dbraw/zinc/86/03/09/551860309.db2.gz	SMHAWVYNUKAUGY-ZIAGYGMSSA-N	1	0	358.417	1.874	20	30		FDEDRO
C[C@H](NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(C#N)c1	ZINC000591353724	551865236	/nfs/dbraw/zinc/86/52/36/551865236.db2.gz	LMYCPCWQOQGAQJ-SWLSCSKDSA-N	1	0	369.391	1.755	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@H]4CC[NH2+][C@@H]4C3)C2=O)cc1	ZINC000591356526	551865749	/nfs/dbraw/zinc/86/57/49/551865749.db2.gz	JLHUMKJSYQYGJA-BPQIPLTHSA-N	1	0	367.453	1.447	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1	ZINC000591572853	551880767	/nfs/dbraw/zinc/88/07/67/551880767.db2.gz	OVIACGNFCWVNCX-RTBURBONSA-N	1	0	368.481	1.755	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]CCN2Cc3ccccc3C2)c1	ZINC000591728612	551904152	/nfs/dbraw/zinc/90/41/52/551904152.db2.gz	YNUYKQYBHBBMDX-UHFFFAOYSA-N	1	0	355.463	1.937	20	30		FDEDRO
CCOC(=O)c1cccc(OC[C@H](O)C[NH2+]C2CCN(CC#N)CC2)c1	ZINC000591736088	551904891	/nfs/dbraw/zinc/90/48/91/551904891.db2.gz	JAHDPHIOEHBXES-QGZVFWFLSA-N	1	0	361.442	1.181	20	30		FDEDRO
CCO[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)[C@]12CCCO2	ZINC000591760186	551906800	/nfs/dbraw/zinc/90/68/00/551906800.db2.gz	WCBINACYENOZAS-RCCFBDPRSA-N	1	0	364.467	1.648	20	30		FDEDRO
CO[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1	ZINC000591769499	551907613	/nfs/dbraw/zinc/90/76/13/551907613.db2.gz	DZNZBWLPLRXAAR-KRWDZBQOSA-N	1	0	359.451	1.574	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1	ZINC000592089743	551939240	/nfs/dbraw/zinc/93/92/40/551939240.db2.gz	KEZUTFNZRBNKLT-OIISXLGYSA-N	1	0	350.488	1.258	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN(CCS(=O)(=O)c1cccc(C#N)c1)CCO2	ZINC000592184754	551954960	/nfs/dbraw/zinc/95/49/60/551954960.db2.gz	PEPLLUJCWMXQKV-UHFFFAOYSA-N	1	0	363.483	1.129	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN(C(=O)C(=O)Nc1cccc(CC#N)c1)CCO2	ZINC000592313809	551978785	/nfs/dbraw/zinc/97/87/85/551978785.db2.gz	QRLYKNJDSHEBSB-UHFFFAOYSA-N	1	0	356.426	1.014	20	30		FDEDRO
C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CCO1	ZINC000592373838	551985696	/nfs/dbraw/zinc/98/56/96/551985696.db2.gz	DVPVFKQMXUOAHP-NOZJJQNGSA-N	1	0	363.361	1.314	20	30		FDEDRO
CC1([NH3+])CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1	ZINC000592379752	551986166	/nfs/dbraw/zinc/98/61/66/551986166.db2.gz	NTRQYHVFHZFCPC-UHFFFAOYSA-N	1	0	358.261	1.823	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H](O)Cc2cccc(F)c2)c1	ZINC000592431603	551994441	/nfs/dbraw/zinc/99/44/41/551994441.db2.gz	OUSWIZZOILDITH-KRWDZBQOSA-N	1	0	362.426	1.664	20	30		FDEDRO
C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](O)Cc1ccccc1	ZINC000592431596	551994475	/nfs/dbraw/zinc/99/44/75/551994475.db2.gz	MOINKZBEOPXIJM-HNAYVOBHSA-N	1	0	358.463	1.914	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(C(=O)N3CCCCC3)CC2)CC1	ZINC000592526119	552005070	/nfs/dbraw/zinc/00/50/70/552005070.db2.gz	LVGROZKZPNPPSQ-UHFFFAOYSA-N	1	0	363.506	1.570	20	30		FDEDRO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1CCCN1c1ccc(C#N)cc1	ZINC000592871505	552037525	/nfs/dbraw/zinc/03/75/25/552037525.db2.gz	IXSQMHDEQKFIGI-MAUKXSAKSA-N	1	0	369.469	1.105	20	30		FDEDRO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(-c2cccc(C#N)c2)no1	ZINC000592875402	552037729	/nfs/dbraw/zinc/03/77/29/552037729.db2.gz	XLOPKVFJLXUGOC-CYBMUJFWSA-N	1	0	367.409	1.405	20	30		FDEDRO
Cc1nn(-c2ccccc2)c(CN2CCN(CC[NH+](C)C)C(=O)C2)c1C#N	ZINC000593052664	552056543	/nfs/dbraw/zinc/05/65/43/552056543.db2.gz	TVGNIKPPPDXVNW-UHFFFAOYSA-N	1	0	366.469	1.258	20	30		FDEDRO
COCC[C@H]1NC(=O)N(C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1=O	ZINC000593231223	552075042	/nfs/dbraw/zinc/07/50/42/552075042.db2.gz	HKTGWNHJZPATGE-QGZVFWFLSA-N	1	0	356.426	1.480	20	30		FDEDRO
COC[C@@]1(C)NC(=O)N(C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1=O	ZINC000593234121	552075458	/nfs/dbraw/zinc/07/54/58/552075458.db2.gz	YSNSMGPYEMMOPM-LJQANCHMSA-N	1	0	356.426	1.480	20	30		FDEDRO
Cn1nccc1CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593308171	552086741	/nfs/dbraw/zinc/08/67/41/552086741.db2.gz	BOAYZUUILHVJLR-UHFFFAOYSA-N	1	0	352.442	1.756	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)NCC2(C#N)CCCC2)CC1	ZINC000593328600	552090218	/nfs/dbraw/zinc/09/02/18/552090218.db2.gz	RPRQUHKSNXMREB-UHFFFAOYSA-N	1	0	356.474	1.717	20	30		FDEDRO
C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCC(=O)NCC#N	ZINC000593410078	552104449	/nfs/dbraw/zinc/10/44/49/552104449.db2.gz	HYFLJUWCAKIUSV-ARFHVFGLSA-N	1	0	357.458	1.319	20	30		FDEDRO
C[NH+](C)CCN1CCN(c2c(C#N)cnc3ccc(Cl)cc32)CC1=O	ZINC000593486368	552116182	/nfs/dbraw/zinc/11/61/82/552116182.db2.gz	UOANTHDGPZKRIE-UHFFFAOYSA-N	1	0	357.845	1.970	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@H](CO)CC(F)F)CC2)c1	ZINC000593514173	552120629	/nfs/dbraw/zinc/12/06/29/552120629.db2.gz	SDMSLTVOKGJUPO-INIZCTEOSA-N	1	0	366.412	1.838	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@@H](O)C3CCC3)CC2)c1	ZINC000593517524	552121594	/nfs/dbraw/zinc/12/15/94/552121594.db2.gz	SKXBGCMUCMSOIR-LJQANCHMSA-N	1	0	356.470	1.983	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)NC1CC[NH+](C2CC2)CC1	ZINC000593526758	552123214	/nfs/dbraw/zinc/12/32/14/552123214.db2.gz	KUTKLLOAJAHESC-UHFFFAOYSA-N	1	0	363.439	1.250	20	30		FDEDRO
CC(C)[C@H](CNS(=O)(=O)c1ccsc1C#N)N1CC[NH+](C)CC1	ZINC000593552167	552130987	/nfs/dbraw/zinc/13/09/87/552130987.db2.gz	IVBORJBHVMSPEK-ZDUSSCGKSA-N	1	0	356.517	1.170	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1	ZINC000593553991	552131805	/nfs/dbraw/zinc/13/18/05/552131805.db2.gz	VVDMMMGWGVHGNJ-YPMHNXCESA-N	1	0	351.428	1.106	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1	ZINC000593579226	552141854	/nfs/dbraw/zinc/14/18/54/552141854.db2.gz	VUSSRXDDHGRDKI-CQSZACIVSA-N	1	0	365.455	1.496	20	30		FDEDRO
C[NH+](C)CCOCCNC(=O)Cc1ccc(Br)cc1C#N	ZINC000593583724	552143736	/nfs/dbraw/zinc/14/37/36/552143736.db2.gz	YHGROJYAAGAHJV-UHFFFAOYSA-N	1	0	354.248	1.558	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1	ZINC000593596126	552147177	/nfs/dbraw/zinc/14/71/77/552147177.db2.gz	OMAZEXZNDJZTOC-UHFFFAOYSA-N	1	0	366.531	1.650	20	30		FDEDRO
CN(CC[NH+]1CCCCC1)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000593882959	552216342	/nfs/dbraw/zinc/21/63/42/552216342.db2.gz	MFAAGMZIBZEILC-UHFFFAOYSA-N	1	0	352.442	1.884	20	30		FDEDRO
CN(C)C(=O)CCCC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593883592	552216359	/nfs/dbraw/zinc/21/63/59/552216359.db2.gz	QIKXNMSSGFIPPV-UHFFFAOYSA-N	1	0	356.470	1.897	20	30		FDEDRO
CC[C@@H](COC)NC(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593925950	552226860	/nfs/dbraw/zinc/22/68/60/552226860.db2.gz	KIHZVIOBJWLZSP-KRWDZBQOSA-N	1	0	372.469	1.180	20	30		FDEDRO
CCOC(=O)CC[N@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)C(C)C	ZINC000594050109	552243813	/nfs/dbraw/zinc/24/38/13/552243813.db2.gz	ANOXGDJNRGKPHC-QGZVFWFLSA-N	1	0	366.506	1.342	20	30		FDEDRO
CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1	ZINC000594351457	552293940	/nfs/dbraw/zinc/29/39/40/552293940.db2.gz	ZOVSXDRMPIQQTM-HKUYNNGSSA-N	1	0	358.486	1.736	20	30		FDEDRO
Cc1onc(CO)c1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000594372149	552297740	/nfs/dbraw/zinc/29/77/40/552297740.db2.gz	JJKNZLPUYFVCQC-UHFFFAOYSA-N	1	0	354.410	1.741	20	30		FDEDRO
CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc1	ZINC000594426479	552308194	/nfs/dbraw/zinc/30/81/94/552308194.db2.gz	ROOKPSOYYIVXOI-OAHLLOKOSA-N	1	0	352.460	1.723	20	30		FDEDRO
CN(Cc1ccccc1)C(=O)N1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1	ZINC000594428722	552308646	/nfs/dbraw/zinc/30/86/46/552308646.db2.gz	OYTQBNLXLLAKGH-SFHVURJKSA-N	1	0	371.485	1.794	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1	ZINC000594432636	552309207	/nfs/dbraw/zinc/30/92/07/552309207.db2.gz	FPFOMSWOUBNUQB-DOTOQJQBSA-N	1	0	358.442	1.194	20	30		FDEDRO
CN1CCN([C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)c2cccs2)CC1	ZINC000594439388	552310378	/nfs/dbraw/zinc/31/03/78/552310378.db2.gz	QHGZWYGKEAORHH-CVEARBPZSA-N	1	0	363.531	1.564	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)Nc1cccc(CN2CCC[C@H]2C(N)=O)c1	ZINC000594441027	552310798	/nfs/dbraw/zinc/31/07/98/552310798.db2.gz	LEJNGURGNRLVMV-SJORKVTESA-N	1	0	357.458	1.486	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1	ZINC000594440935	552310868	/nfs/dbraw/zinc/31/08/68/552310868.db2.gz	JNFQNMAFTBZOEE-SFHVURJKSA-N	1	0	371.485	1.617	20	30		FDEDRO
COc1ccc([C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)N2CCOCC2)cc1	ZINC000594446668	552312222	/nfs/dbraw/zinc/31/22/22/552312222.db2.gz	WAWZXVIGXLOYFT-RTBURBONSA-N	1	0	374.485	1.596	20	30		FDEDRO
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2cc(Br)cc(C#N)c2)C1	ZINC000594474710	552319866	/nfs/dbraw/zinc/31/98/66/552319866.db2.gz	NARQLYTWXPAETB-BJHJDKERSA-N	1	0	372.288	1.939	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F)cc1C#N	ZINC000594531513	552329276	/nfs/dbraw/zinc/32/92/76/552329276.db2.gz	BULDSBTVKZVNIR-GFCCVEGCSA-N	1	0	358.320	1.290	20	30		FDEDRO
CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCc2ccc(CC#N)cc2)CC1	ZINC000594546107	552332193	/nfs/dbraw/zinc/33/21/93/552332193.db2.gz	PMVZMWDXVJIDQQ-UHFFFAOYSA-N	1	0	356.470	1.702	20	30		FDEDRO
C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)N1C[C@@H](C)O[C@@H](C)C1	ZINC000594577663	552336628	/nfs/dbraw/zinc/33/66/28/552336628.db2.gz	YCQWWGZANKBEJU-HRCADAONSA-N	1	0	365.499	1.419	20	30		FDEDRO
C[C@@H](C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)N1C[C@@H](C)O[C@@H](C)C1	ZINC000594577666	552336694	/nfs/dbraw/zinc/33/66/94/552336694.db2.gz	YFERFKPUMHHWBB-IMBTUZDBSA-N	1	0	361.486	1.580	20	30		FDEDRO
N#Cc1c(C#N)c(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)nc2c1CCCCCC2	ZINC000594603700	552340031	/nfs/dbraw/zinc/34/00/31/552340031.db2.gz	LLYAEOYTKGIJHK-LSDHHAIUSA-N	1	0	351.454	1.739	20	30		FDEDRO
CC(C)[N@H+](C)C[C@H](O)CN1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000594714268	552361789	/nfs/dbraw/zinc/36/17/89/552361789.db2.gz	LONRHZATGUZGOS-SFHVURJKSA-N	1	0	367.497	1.930	20	30		FDEDRO
N#CCC1(CS(=O)(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC1	ZINC000594830407	552401233	/nfs/dbraw/zinc/40/12/33/552401233.db2.gz	QEESTTZMYDMWRZ-UHFFFAOYSA-N	1	0	362.499	1.907	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1	ZINC000595116542	552456128	/nfs/dbraw/zinc/45/61/28/552456128.db2.gz	RPDUVHIFFFEEDC-INIZCTEOSA-N	1	0	363.483	1.967	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000595128468	552460236	/nfs/dbraw/zinc/46/02/36/552460236.db2.gz	ATDPGJNQZAKZTE-SFHVURJKSA-N	1	0	372.469	1.086	20	30		FDEDRO
CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000595150951	552468328	/nfs/dbraw/zinc/46/83/28/552468328.db2.gz	DGCKAXCBQLVMDG-UHFFFAOYSA-N	1	0	365.231	1.279	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NCCc1ccc(I)cc1	ZINC000595260125	552506378	/nfs/dbraw/zinc/50/63/78/552506378.db2.gz	VNNIFTOFCBZMPR-ZDUSSCGKSA-N	1	0	371.222	1.971	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)C1	ZINC000595193628	552485405	/nfs/dbraw/zinc/48/54/05/552485405.db2.gz	ASKBULMDENYOPK-HNNXBMFYSA-N	1	0	358.442	1.884	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1C#N	ZINC000595197788	552487381	/nfs/dbraw/zinc/48/73/81/552487381.db2.gz	WYXONLURHWVDFD-HNNXBMFYSA-N	1	0	356.426	1.175	20	30		FDEDRO
N#CC1CCC(CNC(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1	ZINC000595239014	552502488	/nfs/dbraw/zinc/50/24/88/552502488.db2.gz	LKXCGCHOYXIEPG-JTTJXQCZSA-N	1	0	370.453	1.732	20	30		FDEDRO
CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000595242497	552503714	/nfs/dbraw/zinc/50/37/14/552503714.db2.gz	SQVZXJVDZAAMSE-LLVKDONJSA-N	1	0	354.357	1.588	20	30		FDEDRO
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1	ZINC000595243906	552504112	/nfs/dbraw/zinc/50/41/12/552504112.db2.gz	ZEOPXZIAEPCTFA-JHJVBQTASA-N	1	0	364.446	1.917	20	30		FDEDRO
C[C@H]([NH3+])CNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595265685	552507951	/nfs/dbraw/zinc/50/79/51/552507951.db2.gz	STVQFEXLGGBVSP-ZDUSSCGKSA-N	1	0	353.430	1.127	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1	ZINC000595275214	552509875	/nfs/dbraw/zinc/50/98/75/552509875.db2.gz	JMOQOUZAJOFLNB-UHFFFAOYSA-N	1	0	354.414	1.634	20	30		FDEDRO
N#Cc1cccnc1OC1CCC(NC(=O)NCC23CC(C2)C[NH2+]3)CC1	ZINC000595273779	552510025	/nfs/dbraw/zinc/51/00/25/552510025.db2.gz	IWVWZYDDNVEPCE-UHFFFAOYSA-N	1	0	355.442	1.694	20	30		FDEDRO
N#CC1(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCCCC1	ZINC000595274372	552510075	/nfs/dbraw/zinc/51/00/75/552510075.db2.gz	QQGMCGRNRXFFPQ-CYBMUJFWSA-N	1	0	361.412	1.596	20	30		FDEDRO
C[NH+](C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)c1ccc(C#N)nc1	ZINC000595403671	552551017	/nfs/dbraw/zinc/55/10/17/552551017.db2.gz	HEWZIZXMVYWGMP-OAHLLOKOSA-N	1	0	364.471	1.217	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)Cc2cc(C#N)ccc2F)CCO1	ZINC000595405003	552551519	/nfs/dbraw/zinc/55/15/19/552551519.db2.gz	QUYZPHPHKONVFL-MRXNPFEDSA-N	1	0	369.462	1.570	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)CCO1	ZINC000595405763	552552218	/nfs/dbraw/zinc/55/22/18/552552218.db2.gz	ZSTUUFCSBHQFDY-AWEZNQCLSA-N	1	0	371.890	1.943	20	30		FDEDRO
C[NH+]1CCN(Cc2ccc(CNC(=O)N3CC[C@@](C)(C#N)C3)cc2)CC1	ZINC000595458649	552564942	/nfs/dbraw/zinc/56/49/42/552564942.db2.gz	LIVAVBLNQPPJNL-FQEVSTJZSA-N	1	0	355.486	1.879	20	30		FDEDRO
C[C@]1(C#N)CCN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000595460104	552565080	/nfs/dbraw/zinc/56/50/80/552565080.db2.gz	PFUJVZSCOGIJDQ-HXUWFJFHSA-N	1	0	355.486	1.749	20	30		FDEDRO
N#Cc1ccc(CCNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1	ZINC000595515521	552576783	/nfs/dbraw/zinc/57/67/83/552576783.db2.gz	WQNIQLTZUSFTFB-SFHVURJKSA-N	1	0	356.470	1.901	20	30		FDEDRO
COC[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C1CCOCC1	ZINC000595615921	552593218	/nfs/dbraw/zinc/59/32/18/552593218.db2.gz	NYQYOIBCBVYILP-QGZVFWFLSA-N	1	0	352.456	1.363	20	30		FDEDRO
CCOC[C@@H](O)C[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595726206	552607434	/nfs/dbraw/zinc/60/74/34/552607434.db2.gz	NEVLLXRFLJRONL-KRWDZBQOSA-N	1	0	355.442	1.468	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CC[NH+](CC[C@@H]4CCNC4=O)CC3)n[nH]2)cc1	ZINC000595736173	552608670	/nfs/dbraw/zinc/60/86/70/552608670.db2.gz	WYIIEDSMLBGLNZ-KRWDZBQOSA-N	1	0	364.453	1.597	20	30		FDEDRO
COC(=O)[C@@H]1CC[N@H+](CC(=O)N(CCC#N)CCC#N)[C@@H]2CCCC[C@@H]12	ZINC000595741871	552609469	/nfs/dbraw/zinc/60/94/69/552609469.db2.gz	ZZERAABDYOUUJH-GVDBMIGSSA-N	1	0	360.458	1.696	20	30		FDEDRO
C[C@]12COC[C@H]1C[N@H+](CC(=O)N1CCN([C@H](C#N)c3cccs3)CC1)C2	ZINC000595759050	552612262	/nfs/dbraw/zinc/61/22/62/552612262.db2.gz	OTCYFCBZNRAQOB-MDZRGWNJSA-N	1	0	374.510	1.425	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)C[C@@H](C)O1	ZINC000595772139	552613535	/nfs/dbraw/zinc/61/35/35/552613535.db2.gz	FCPGBSGYFDZRCJ-HZPDHXFCSA-N	1	0	357.454	1.789	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@@H](CN4CCCC4=O)C3)C2=O)cc1	ZINC000595828881	552621165	/nfs/dbraw/zinc/62/11/65/552621165.db2.gz	MFZNGMGHPMWMQP-SJLPKXTDSA-N	1	0	352.438	1.608	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CCN(C(=O)[C@H]4C[C@H]([NH3+])C4)CC3)n[nH]2)cc1	ZINC000595967870	552639897	/nfs/dbraw/zinc/63/98/97/552639897.db2.gz	XGSIMBDKBJQFOY-WKILWMFISA-N	1	0	350.426	1.334	20	30		FDEDRO
N#Cc1cc(F)c(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1Br	ZINC000596014091	552644405	/nfs/dbraw/zinc/64/44/05/552644405.db2.gz	MSUQRXXWDMMJSM-CABZTGNLSA-N	1	0	353.195	1.208	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1	ZINC000596067340	552652033	/nfs/dbraw/zinc/65/20/33/552652033.db2.gz	ZIWSZJKEYNRGFA-RBUKOAKNSA-N	1	0	359.470	1.335	20	30		FDEDRO
CCc1nc(C#N)cc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)n1	ZINC000596113171	552656385	/nfs/dbraw/zinc/65/63/85/552656385.db2.gz	PCDNKKTYNVZQRE-UHFFFAOYSA-N	1	0	351.454	2.479	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)c1	ZINC000597184787	552758602	/nfs/dbraw/zinc/75/86/02/552758602.db2.gz	PZRRAEMSQYYTDA-UHFFFAOYSA-N	1	0	354.454	1.413	20	30		FDEDRO
C=C(C)Cn1c(-c2cc[nH]n2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1	ZINC000597309475	552773317	/nfs/dbraw/zinc/77/33/17/552773317.db2.gz	GNCARJPCESZJKP-INIZCTEOSA-N	1	0	370.505	1.461	20	30		FDEDRO
N#Cc1ccc(NCC(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1	ZINC000597991820	552853376	/nfs/dbraw/zinc/85/33/76/552853376.db2.gz	SOEHTPGIAAMXCK-HXUWFJFHSA-N	1	0	364.449	1.853	20	30		FDEDRO
N#Cc1ccc(NCC(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1	ZINC000597991819	552853579	/nfs/dbraw/zinc/85/35/79/552853579.db2.gz	SOEHTPGIAAMXCK-FQEVSTJZSA-N	1	0	364.449	1.853	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1	ZINC000597991818	552853590	/nfs/dbraw/zinc/85/35/90/552853590.db2.gz	SMSYVUYBSYPJOO-SFHVURJKSA-N	1	0	350.422	1.758	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC000598454156	552897521	/nfs/dbraw/zinc/89/75/21/552897521.db2.gz	VPNNVFVSAHUGFI-MRXNPFEDSA-N	1	0	359.426	1.003	20	30		FDEDRO
CCc1cnc(CN(C(C)=O)[C@H]2CC[N@H+](C[C@@H](O)CC(C)(C)C#N)C2)o1	ZINC000598596521	552913061	/nfs/dbraw/zinc/91/30/61/552913061.db2.gz	SIGSSKWNWTZSPV-HOTGVXAUSA-N	1	0	362.474	1.961	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1	ZINC000598602082	552913969	/nfs/dbraw/zinc/91/39/69/552913969.db2.gz	HKVHPVWRZWPIES-HZPDHXFCSA-N	1	0	357.520	1.614	20	30		FDEDRO
CC(=O)N[C@@]1(c2nc(C)cs2)CC[N@H+](C[C@H](O)CC(C)(C)C#N)C1	ZINC000598607471	552915016	/nfs/dbraw/zinc/91/50/16/552915016.db2.gz	PRCIBBZZRBSJAE-PBHICJAKSA-N	1	0	350.488	1.789	20	30		FDEDRO
CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)C[C@H](O)CC(C)(C)C#N)CC1	ZINC000598617457	552916195	/nfs/dbraw/zinc/91/61/95/552916195.db2.gz	RPTISHCDVIZDHE-GDBMZVCRSA-N	1	0	359.536	1.669	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[NH2+]CCCNS(=O)(=O)c1ccccc1Cl	ZINC000598723643	552928167	/nfs/dbraw/zinc/92/81/67/552928167.db2.gz	JDQYIJALGLKSJK-ZDUSSCGKSA-N	1	0	373.906	1.899	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2	ZINC000598729416	552928568	/nfs/dbraw/zinc/92/85/68/552928568.db2.gz	JASNSRXXHKVCKO-GJZGRUSLSA-N	1	0	361.442	1.201	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1	ZINC000598731304	552928724	/nfs/dbraw/zinc/92/87/24/552928724.db2.gz	JTHVZSZJQLPZOG-FXAWDEMLSA-N	1	0	354.454	1.637	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1	ZINC000598731305	552928730	/nfs/dbraw/zinc/92/87/30/552928730.db2.gz	JTHVZSZJQLPZOG-PXNSSMCTSA-N	1	0	354.454	1.637	20	30		FDEDRO
C[N@@H+]1CCCC[C@H](CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000599160854	552976785	/nfs/dbraw/zinc/97/67/85/552976785.db2.gz	QQVCADCQXVZJOA-QGZVFWFLSA-N	1	0	356.474	1.517	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)[C@H]1COC(C)(C)C1	ZINC000599224672	552992484	/nfs/dbraw/zinc/99/24/84/552992484.db2.gz	CXIUWANBKLBFOX-QGZVFWFLSA-N	1	0	365.499	1.819	20	30		FDEDRO
COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CC#CCN1C(=O)c2ccccc2C1=O	ZINC000599341960	553032432	/nfs/dbraw/zinc/03/24/32/553032432.db2.gz	FQDKIRVRBNVMDS-UWJYYQICSA-N	1	0	368.433	1.998	20	30		FDEDRO
COC(=O)C(C)(C)[C@@H]1CCC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000599345487	553032568	/nfs/dbraw/zinc/03/25/68/553032568.db2.gz	RNXVFDZEBMPADB-HZPDHXFCSA-N	1	0	352.475	1.969	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)CCOCC1	ZINC000599386564	553042284	/nfs/dbraw/zinc/04/22/84/553042284.db2.gz	OTHIIRUWGOWWMJ-RCCFBDPRSA-N	1	0	351.491	1.291	20	30		FDEDRO
COC(=O)c1cccc2c1CC[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)C2	ZINC000599437648	553056607	/nfs/dbraw/zinc/05/66/07/553056607.db2.gz	RAHRKTFEHXUPBB-INIZCTEOSA-N	1	0	358.438	1.903	20	30		FDEDRO
C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)N(C)CCC#N	ZINC000599442243	553058031	/nfs/dbraw/zinc/05/80/31/553058031.db2.gz	RMXBKGNQCINWGO-DOTOQJQBSA-N	1	0	350.488	1.577	20	30		FDEDRO
CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000599452563	553060530	/nfs/dbraw/zinc/06/05/30/553060530.db2.gz	SPPYOPBVXSGSPY-SWLSCSKDSA-N	1	0	363.380	1.058	20	30		FDEDRO
COC(=O)[C@@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H]1C	ZINC000599475549	553068428	/nfs/dbraw/zinc/06/84/28/553068428.db2.gz	SIFOMFRCFBOESS-LSDHHAIUSA-N	1	0	354.406	1.417	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2C[C@@H](CO)[C@H](CO)C2)c1	ZINC000599531465	553082351	/nfs/dbraw/zinc/08/23/51/553082351.db2.gz	YGNDNTIJQILXAE-BZSNNMDCSA-N	1	0	359.470	1.471	20	30		FDEDRO
CCS(=O)(=O)NCCC[NH2+]C1(c2ccc(C#N)cc2)CCOCC1	ZINC000599633659	553109137	/nfs/dbraw/zinc/10/91/37/553109137.db2.gz	BAQFULJYIYTCFY-UHFFFAOYSA-N	1	0	351.472	1.483	20	30		FDEDRO
COc1cc(NC(=O)N2C[C@H](C)N(CCO)C[C@H]2C)c(F)cc1C#N	ZINC000599808649	553153503	/nfs/dbraw/zinc/15/35/03/553153503.db2.gz	QALFKTCHNYQMHB-NWDGAFQWSA-N	1	0	350.394	1.625	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)cc1C(F)(F)F	ZINC000599889650	553168364	/nfs/dbraw/zinc/16/83/64/553168364.db2.gz	CTLSMDSHQTWUDD-ZDUSSCGKSA-N	1	0	366.343	1.916	20	30		FDEDRO
C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C[NH2+]1	ZINC000599895176	553169954	/nfs/dbraw/zinc/16/99/54/553169954.db2.gz	CWPNOMFPFHPMLB-JOYOIKCWSA-N	1	0	370.331	1.652	20	30		FDEDRO
C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C[NH2+]1	ZINC000599896273	553170168	/nfs/dbraw/zinc/17/01/68/553170168.db2.gz	OSEJGQGYAJXTBS-JOYOIKCWSA-N	1	0	365.231	1.516	20	30		FDEDRO
CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	ZINC000599898109	553170617	/nfs/dbraw/zinc/17/06/17/553170617.db2.gz	ZPBJAQPFOHDLPB-UONOGXRCSA-N	1	0	369.450	1.877	20	30		FDEDRO
C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCc3c(CC#N)cccc3C2)c1	ZINC000599903715	553171557	/nfs/dbraw/zinc/17/15/57/553171557.db2.gz	OTDRSZCNVDKDFO-UHFFFAOYSA-N	1	0	362.433	1.995	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1F	ZINC000599901207	553171732	/nfs/dbraw/zinc/17/17/32/553171732.db2.gz	YBWZMBDSSNVBMV-JQWIXIFHSA-N	1	0	372.322	1.622	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)c(F)cc1C#N	ZINC000599936341	553177602	/nfs/dbraw/zinc/17/76/02/553177602.db2.gz	OOQQVCTUAVEOTQ-UHFFFAOYSA-N	1	0	360.389	1.387	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(OC)c(C#N)cc2F)C1	ZINC000599937751	553178197	/nfs/dbraw/zinc/17/81/97/553178197.db2.gz	JQUYHALAABBXAN-LBPRGKRZSA-N	1	0	362.405	1.493	20	30		FDEDRO
N#Cc1cccc(-c2cc(C(=O)N3CC[C@H]([N@@H+]4CC[C@@H](O)C4)C3)on2)c1	ZINC000599939419	553179382	/nfs/dbraw/zinc/17/93/82/553179382.db2.gz	IIZRUSVDIXPCJU-JKSUJKDBSA-N	1	0	352.394	1.494	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1	ZINC000599943092	553180871	/nfs/dbraw/zinc/18/08/71/553180871.db2.gz	AWRNAOKRFFXTIT-KGLIPLIRSA-N	1	0	368.359	1.160	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)c1	ZINC000600008671	553199085	/nfs/dbraw/zinc/19/90/85/553199085.db2.gz	QREQJUBTZFYYLH-UHFFFAOYSA-N	1	0	356.470	1.951	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)n(CCC#N)n1	ZINC000600011314	553199532	/nfs/dbraw/zinc/19/95/32/553199532.db2.gz	HQNZVMVJKNTAGZ-INIZCTEOSA-N	1	0	372.473	1.567	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCC([NH+]2CCOCC2)CC1	ZINC000600104923	553218949	/nfs/dbraw/zinc/21/89/49/553218949.db2.gz	CGMBSQWSQBCVKC-UHFFFAOYSA-N	1	0	359.426	1.269	20	30		FDEDRO
C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3cc(Br)cc(C#N)c3)C[C@H]21	ZINC000600669994	553297528	/nfs/dbraw/zinc/29/75/28/553297528.db2.gz	ZTSLJHFGQAFZEE-WDNDVIMCSA-N	1	0	370.272	1.501	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(N2CCOCC2)nc1	ZINC000600717236	553306363	/nfs/dbraw/zinc/30/63/63/553306363.db2.gz	JXZCODFZNQIWNU-GOSISDBHSA-N	1	0	368.437	1.319	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]Cc2ccccc2Cn2cncn2)CCOCC1	ZINC000600718199	553306583	/nfs/dbraw/zinc/30/65/83/553306583.db2.gz	OGEQOJSUBRDFBX-GOSISDBHSA-N	1	0	355.442	1.487	20	30		FDEDRO
CN(Cc1ccccc1)C(=O)C[NH2+]C[C@H](O)COc1ccccc1C#N	ZINC000600722127	553307154	/nfs/dbraw/zinc/30/71/54/553307154.db2.gz	YAEHAXMNEOGIQZ-SFHVURJKSA-N	1	0	353.422	1.546	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]CCNC(=O)c1ccc(Cl)cc1	ZINC000600720614	553307165	/nfs/dbraw/zinc/30/71/65/553307165.db2.gz	ZUIHKFAQJGJNPF-QGZVFWFLSA-N	1	0	373.840	1.971	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+][C@@H]2CCN(c3ccccc3F)C2=O)CCOCC1	ZINC000600723291	553307505	/nfs/dbraw/zinc/30/75/05/553307505.db2.gz	BZWFTKVCQWQTKB-GDBMZVCRSA-N	1	0	361.417	1.592	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@@H]2CCCN(c3cccnc3)C2=O)CCOCC1	ZINC000600735310	553309415	/nfs/dbraw/zinc/30/94/15/553309415.db2.gz	NOEUMLGZFRECCZ-DLBZAZTESA-N	1	0	358.442	1.238	20	30		FDEDRO
C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]C[C@H](O)CC1(C#N)CC1	ZINC000600741495	553309582	/nfs/dbraw/zinc/30/95/82/553309582.db2.gz	OKNNVKPXPLANLL-LSDHHAIUSA-N	1	0	351.472	1.388	20	30		FDEDRO
N#Cc1cc(Br)ccc1CC(=O)NCC[N@H+]1CC[C@H](O)C1	ZINC000600808408	553317356	/nfs/dbraw/zinc/31/73/56/553317356.db2.gz	MZXGCKSFGLTXEP-AWEZNQCLSA-N	1	0	352.232	1.046	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)COc1ccc(Br)cn1	ZINC000601017200	553340094	/nfs/dbraw/zinc/34/00/94/553340094.db2.gz	YDSANJOKUWGBNV-UHFFFAOYSA-N	1	0	369.263	1.917	20	30		FDEDRO
N#Cc1cnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)c2sccc21	ZINC000601114272	553349051	/nfs/dbraw/zinc/34/90/51/553349051.db2.gz	ORLCMOGXUZFPMR-UHFFFAOYSA-N	1	0	355.467	1.912	20	30		FDEDRO
COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000601145236	553352524	/nfs/dbraw/zinc/35/25/24/553352524.db2.gz	JPGDIYFELUURPV-GJZGRUSLSA-N	1	0	372.469	1.178	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C2(C#N)CC3(CC3)C2)CC1	ZINC000601289948	553369668	/nfs/dbraw/zinc/36/96/68/553369668.db2.gz	XHLWZMPSKZMETH-UHFFFAOYSA-N	1	0	360.502	1.813	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2c(C)cc(F)cc2C#N)C[C@@H]1[NH+](C)C	ZINC000601380411	553389609	/nfs/dbraw/zinc/38/96/09/553389609.db2.gz	LYXRGTOKCZHOHE-UONOGXRCSA-N	1	0	357.476	1.672	20	30		FDEDRO
Cc1cc(F)cc(C#N)c1S(=O)(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1	ZINC000601403886	553396120	/nfs/dbraw/zinc/39/61/20/553396120.db2.gz	PMVKYRSSSHWLBZ-AWEZNQCLSA-N	1	0	369.462	1.785	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNS(=O)(=O)N(C)CCC#N	ZINC000601482387	553417288	/nfs/dbraw/zinc/41/72/88/553417288.db2.gz	UISGOQFCJQGKEC-RDJZCZTQSA-N	1	0	350.488	1.434	20	30		FDEDRO
COCCn1cc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cn1	ZINC000601659406	553454584	/nfs/dbraw/zinc/45/45/84/553454584.db2.gz	NSPDSKBOGAYGBN-UHFFFAOYSA-N	1	0	367.453	1.796	20	30		FDEDRO
CS(=O)(=O)C1(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CCCCC1	ZINC000601959665	553496418	/nfs/dbraw/zinc/49/64/18/553496418.db2.gz	OPNNKFVUONRVNM-HNNXBMFYSA-N	1	0	358.504	1.395	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)c1C#N	ZINC000602139703	553526706	/nfs/dbraw/zinc/52/67/06/553526706.db2.gz	HLOFHZPTAKTYNC-UHFFFAOYSA-N	1	0	356.474	1.125	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3C[C@H]([NH+](C)C)C3(C)C)CC2)o1	ZINC000602174289	553533801	/nfs/dbraw/zinc/53/38/01/553533801.db2.gz	SVVQXPIANCDZMR-HOTGVXAUSA-N	1	0	359.474	1.916	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C	ZINC000602175522	553534112	/nfs/dbraw/zinc/53/41/12/553534112.db2.gz	YLOSRWUQZIVLLH-SJORKVTESA-N	1	0	368.485	1.995	20	30		FDEDRO
CCN1CCOC[C@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000602303692	553560250	/nfs/dbraw/zinc/56/02/50/553560250.db2.gz	XWBORDLKPSBUSF-SFHVURJKSA-N	1	0	356.470	1.382	20	30		FDEDRO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCCN1C(=O)NC2(CCCC2)C1=O	ZINC000602502758	553594559	/nfs/dbraw/zinc/59/45/59/553594559.db2.gz	MNUIDOBAIZRDNK-HNNXBMFYSA-N	1	0	362.474	1.930	20	30		FDEDRO
N#Cc1ccc2c(c1)CN(C(=O)c1nnn([C@H]3CC[NH2+]C3)c1C(F)F)C2	ZINC000602521482	553597608	/nfs/dbraw/zinc/59/76/08/553597608.db2.gz	OCTQXASUQFLILN-ZDUSSCGKSA-N	1	0	358.352	1.778	20	30		FDEDRO
N#CC1CCC([NH2+][C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1	ZINC000602538081	553601798	/nfs/dbraw/zinc/60/17/98/553601798.db2.gz	USIIGBRJGLKYGG-ABHNRTSZSA-N	1	0	370.501	1.954	20	30		FDEDRO
C[C@@H](CCC#N)C[NH2+]Cc1ccccc1S(=O)(=O)N1CCN(C)CC1	ZINC000602544440	553603117	/nfs/dbraw/zinc/60/31/17/553603117.db2.gz	BBYRZUFHFJZSEX-INIZCTEOSA-N	1	0	364.515	1.652	20	30		FDEDRO
COc1ccc(C[NH+]2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)cc1OCCCC#N	ZINC000602732941	553629104	/nfs/dbraw/zinc/62/91/04/553629104.db2.gz	VWDMUVGXCZZFJO-WOJBJXKFSA-N	1	0	371.437	1.862	20	30		FDEDRO
COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cnc2c(C#N)cnn2c1	ZINC000602738836	553629461	/nfs/dbraw/zinc/62/94/61/553629461.db2.gz	CAQNHGXUKFXYHQ-IBGZPJMESA-N	1	0	351.410	1.693	20	30		FDEDRO
CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](CC2(CC#N)CC2)CC1	ZINC000602788891	553638500	/nfs/dbraw/zinc/63/85/00/553638500.db2.gz	XLLPBKBWNVVQDM-UHFFFAOYSA-N	1	0	353.410	1.969	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1	ZINC000602886894	553660087	/nfs/dbraw/zinc/66/00/87/553660087.db2.gz	KFHDZFLZDGFCPR-UKRRQHHQSA-N	1	0	353.426	1.819	20	30		FDEDRO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@](O)(C[NH+](C)C)C1	ZINC000602889884	553661770	/nfs/dbraw/zinc/66/17/70/553661770.db2.gz	FQWDOYZUKXBZLI-RZMNMVRNSA-N	1	0	364.534	1.694	20	30		FDEDRO
COC[C@]1(C(=O)OC(C)(C)C)CC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C1	ZINC000602960639	553681025	/nfs/dbraw/zinc/68/10/25/553681025.db2.gz	HDBGQOZSAPNMNG-KSSFIOAISA-N	1	0	353.463	1.427	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2cc(F)cc(C#N)c2)CC1	ZINC000603074522	553705833	/nfs/dbraw/zinc/70/58/33/553705833.db2.gz	SOWHNKJADCTVLA-INIZCTEOSA-N	1	0	359.405	1.468	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1	ZINC000603156953	553717776	/nfs/dbraw/zinc/71/77/76/553717776.db2.gz	NQDJCNUCBHXOJQ-LPHOPBHVSA-N	1	0	356.470	1.564	20	30		FDEDRO
N#CCSc1ccccc1NC(=O)Cn1cc(C2CC[NH2+]CC2)nn1	ZINC000603179464	553723580	/nfs/dbraw/zinc/72/35/80/553723580.db2.gz	XDIZMLVYGIMXNT-UHFFFAOYSA-N	1	0	356.455	1.999	20	30		FDEDRO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)n1cc(C[C@@H]2CC[NH2+]C2)nn1	ZINC000603194846	553729123	/nfs/dbraw/zinc/72/91/23/553729123.db2.gz	WQULTQJAWJWZTO-IOSXPMGOSA-N	1	0	358.490	1.922	20	30		FDEDRO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)n1cc(C[C@H]2CC[NH2+]C2)nn1	ZINC000603194852	553729131	/nfs/dbraw/zinc/72/91/31/553729131.db2.gz	WQULTQJAWJWZTO-YJTLQXIOSA-N	1	0	358.490	1.922	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)Cn2cc(-c3cncc(C#N)c3)nn2)CC1	ZINC000603217380	553734738	/nfs/dbraw/zinc/73/47/38/553734738.db2.gz	JXQFQPORFHJSRJ-UHFFFAOYSA-N	1	0	353.430	1.201	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](n3cc([C@H]4CCC[NH2+]C4)nn3)C2=O)cc1	ZINC000603233474	553737620	/nfs/dbraw/zinc/73/76/20/553737620.db2.gz	ABLKXEPDCUEKQM-MAUKXSAKSA-N	1	0	350.426	1.985	20	30		FDEDRO
N#Cc1cc(Cl)ccc1Cn1cc(CNC(=O)C2CC[NH2+]CC2)nn1	ZINC000603244021	553740966	/nfs/dbraw/zinc/74/09/66/553740966.db2.gz	QKICZTILLVTGME-UHFFFAOYSA-N	1	0	358.833	1.467	20	30		FDEDRO
C[C@H]1COCC[C@H]1S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000603278535	553751593	/nfs/dbraw/zinc/75/15/93/553751593.db2.gz	YGHQTSLSUUSKRC-MAUKXSAKSA-N	1	0	365.499	1.677	20	30		FDEDRO
CC(C)(C)[N@@H+]1CCCN(c2ccc(C#N)cc2CS(N)(=O)=O)CC1	ZINC000603280951	553752466	/nfs/dbraw/zinc/75/24/66/553752466.db2.gz	FNBAAZVTDAGISG-UHFFFAOYSA-N	1	0	350.488	1.657	20	30		FDEDRO
N#Cc1cc(N2CC[NH+](C[C@@H]3CCOC3)CC2)ncc1Br	ZINC000603310887	553761841	/nfs/dbraw/zinc/76/18/41/553761841.db2.gz	VVKHWBZMOLVCSZ-LBPRGKRZSA-N	1	0	351.248	1.874	20	30		FDEDRO
N#Cc1cc(N2CC[NH+](C[C@H]3CCOC3)CC2)ncc1Br	ZINC000603310886	553761996	/nfs/dbraw/zinc/76/19/96/553761996.db2.gz	VVKHWBZMOLVCSZ-GFCCVEGCSA-N	1	0	351.248	1.874	20	30		FDEDRO
C[N@@H+]1CCCN(CCCNS(=O)(=O)c2cccc(CC#N)c2)CC1	ZINC000603404459	553781052	/nfs/dbraw/zinc/78/10/52/553781052.db2.gz	VCPRZOBXJJAFNU-UHFFFAOYSA-N	1	0	350.488	1.059	20	30		FDEDRO
N#Cc1cc2cccnc2nc1N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000603422940	553784827	/nfs/dbraw/zinc/78/48/27/553784827.db2.gz	KGIIUNXLZPDWNA-GOSISDBHSA-N	1	0	366.469	1.710	20	30		FDEDRO
Cc1cccc2c1ncn(CCC(=O)NC1(C#N)CC[NH+](C)CC1)c2=O	ZINC000603670851	553808969	/nfs/dbraw/zinc/80/89/69/553808969.db2.gz	BOVKHDYYQMZBFJ-UHFFFAOYSA-N	1	0	353.426	1.199	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[NH+](C)C	ZINC000604141622	553845457	/nfs/dbraw/zinc/84/54/57/553845457.db2.gz	SFMTXVFQFKXFJI-CYBMUJFWSA-N	1	0	367.409	1.750	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1	ZINC000604370801	553868325	/nfs/dbraw/zinc/86/83/25/553868325.db2.gz	MTPLWLCNQKTKLE-GOSISDBHSA-N	1	0	359.470	1.388	20	30		FDEDRO
Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1	ZINC000604436270	553877677	/nfs/dbraw/zinc/87/76/77/553877677.db2.gz	JGJCAIKJVQJOMG-RTBURBONSA-N	1	0	370.449	1.944	20	30		FDEDRO
C=CCCCN(C)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000605885651	554019813	/nfs/dbraw/zinc/01/98/13/554019813.db2.gz	ZPUQVZPQKGEFFT-UHFFFAOYSA-N	1	0	360.506	1.986	20	30		FDEDRO
CC(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000608789627	554320115	/nfs/dbraw/zinc/32/01/15/554320115.db2.gz	PFLUVDQDFIKMQK-RBUKOAKNSA-N	1	0	373.497	1.977	20	30		FDEDRO
CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000608919409	554329226	/nfs/dbraw/zinc/32/92/26/554329226.db2.gz	GMZJYDAWPBHKCC-CQSZACIVSA-N	1	0	374.489	1.986	20	30		FDEDRO
CC[NH+](CC)C[C@H](C)NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000609000369	554332997	/nfs/dbraw/zinc/33/29/97/554332997.db2.gz	LPPICLBCTZAZDR-HNNXBMFYSA-N	1	0	358.490	1.952	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1	ZINC000609112601	554338199	/nfs/dbraw/zinc/33/81/99/554338199.db2.gz	GPJHWBMOAJQCIX-SFHVURJKSA-N	1	0	370.453	1.001	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000609202882	554348651	/nfs/dbraw/zinc/34/86/51/554348651.db2.gz	ZLCPVCZYRHBPKE-QGZVFWFLSA-N	1	0	368.441	1.167	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1	ZINC000609311427	554363634	/nfs/dbraw/zinc/36/36/34/554363634.db2.gz	ALMLUPWGDFULEY-LPHOPBHVSA-N	1	0	355.486	1.279	20	30		FDEDRO
C[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)N(C)CCC#N	ZINC000609574514	554395860	/nfs/dbraw/zinc/39/58/60/554395860.db2.gz	JFXOZUSMLVIYHX-ZIAGYGMSSA-N	1	0	366.487	1.348	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(C(N)=O)(c2ccccc2)CC1	ZINC000609672883	554410079	/nfs/dbraw/zinc/41/00/79/554410079.db2.gz	VCONAWMCNOWKIK-UZLBHIALSA-N	1	0	370.497	1.948	20	30		FDEDRO
COc1cccc(N2CC[C@@H]([NH2+][C@@H](C(N)=O)c3ccc(C#N)cc3)C2)c1	ZINC000609676797	554410449	/nfs/dbraw/zinc/41/04/49/554410449.db2.gz	VOUHLOJBGMYVAP-VQIMIIECSA-N	1	0	350.422	1.962	20	30		FDEDRO
N#Cc1ccc([C@@H]([NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)C(N)=O)cc1	ZINC000609676717	554410592	/nfs/dbraw/zinc/41/05/92/554410592.db2.gz	MOASYUBIPILTCU-MAUKXSAKSA-N	1	0	363.421	1.052	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2CN2CCOCC2)cc1	ZINC000610371653	554496293	/nfs/dbraw/zinc/49/62/93/554496293.db2.gz	WPCBKMMRIVRLDF-PMACEKPBSA-N	1	0	373.497	1.679	20	30		FDEDRO
COCCN(CCC#N)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1	ZINC000610391960	554499570	/nfs/dbraw/zinc/49/95/70/554499570.db2.gz	OEIGRBUMSUVPSE-UHFFFAOYSA-N	1	0	372.513	1.938	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[NH2+][C@H](Cn1cccn1)c1ccccc1	ZINC000610433085	554505117	/nfs/dbraw/zinc/50/51/17/554505117.db2.gz	WTPKUILYZFRAMC-GOSISDBHSA-N	1	0	350.426	1.870	20	30		FDEDRO
CC(C)C(=O)N1CCC([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000610497370	554518952	/nfs/dbraw/zinc/51/89/52/554518952.db2.gz	CTINDYNDFBKAIB-UHFFFAOYSA-N	1	0	363.483	1.569	20	30		FDEDRO
COc1cc([C@H](C)[NH2+]C2CCN(CC#N)CC2)ccc1S(C)(=O)=O	ZINC000610813211	554565488	/nfs/dbraw/zinc/56/54/88/554565488.db2.gz	ABRUKWQMSLSEPP-ZDUSSCGKSA-N	1	0	351.472	1.737	20	30		FDEDRO
N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCCN3CCC3)cn2)cc1	ZINC000611057760	554600191	/nfs/dbraw/zinc/60/01/91/554600191.db2.gz	RULILMWCGMPTDV-UHFFFAOYSA-N	1	0	365.393	1.506	20	30		FDEDRO
COC(=O)c1cccc(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1C#N	ZINC000611127329	554608017	/nfs/dbraw/zinc/60/80/17/554608017.db2.gz	AYIGARDQHZXYIQ-QGZVFWFLSA-N	1	0	356.470	1.557	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cn1	ZINC000611190062	554613691	/nfs/dbraw/zinc/61/36/91/554613691.db2.gz	PIZWNNWOJFBCSR-HKUYNNGSSA-N	1	0	350.422	1.566	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000611222772	554616923	/nfs/dbraw/zinc/61/69/23/554616923.db2.gz	DQUJMGXGKFIQML-MPKXVKKWSA-N	1	0	360.483	1.940	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCCN(CC(F)F)CC2)cc1	ZINC000611349400	554627320	/nfs/dbraw/zinc/62/73/20/554627320.db2.gz	IPEKKFGVNYMQBM-MRXNPFEDSA-N	1	0	353.413	1.765	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCC(c3cccnc3)CC2)CC1	ZINC000611374479	554629480	/nfs/dbraw/zinc/62/94/80/554629480.db2.gz	QZYQBFGHKAPEBW-FQEVSTJZSA-N	1	0	369.513	1.953	20	30		FDEDRO
CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000613246187	554903994	/nfs/dbraw/zinc/90/39/94/554903994.db2.gz	ZNFKFBIKACHNGI-MSOLQXFVSA-N	1	0	350.507	1.472	20	30		FDEDRO
C=C[C@](C)(O)C(=O)Nc1cccc(S(=O)(=O)NCCCC[NH+](C)C)c1	ZINC000614593659	555077341	/nfs/dbraw/zinc/07/73/41/555077341.db2.gz	ZHGWDXSHXQXQDO-KRWDZBQOSA-N	1	0	369.487	1.182	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1	ZINC000615421413	555200391	/nfs/dbraw/zinc/20/03/91/555200391.db2.gz	BJJMATLSMDFWDR-HNNXBMFYSA-N	1	0	358.442	1.884	20	30		FDEDRO
CC[C@@]1([NH2+]CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCOC1	ZINC000616865967	555350682	/nfs/dbraw/zinc/35/06/82/555350682.db2.gz	CZYXGJLHAKMLPC-CRAIPNDOSA-N	1	0	362.499	1.616	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c1	ZINC000617020947	555374997	/nfs/dbraw/zinc/37/49/97/555374997.db2.gz	NHXGDEGSMJLLSE-HNNXBMFYSA-N	1	0	365.499	1.754	20	30		FDEDRO
C=CCC1(NC(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CCOCC1	ZINC000618248223	555599372	/nfs/dbraw/zinc/59/93/72/555599372.db2.gz	ZWZVDJUKVYZIOF-DLBZAZTESA-N	1	0	363.502	1.561	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1	ZINC000618816299	555680714	/nfs/dbraw/zinc/68/07/14/555680714.db2.gz	MRYLQBFGNPYHJC-FUHWJXTLSA-N	1	0	369.469	1.432	20	30		FDEDRO
C[C@H](CNC(=O)N[C@H]1CCc2cc(C#N)ccc21)C[NH+]1CCN(C)CC1	ZINC000618815578	555681021	/nfs/dbraw/zinc/68/10/21/555681021.db2.gz	JTGMXLUYCVBMTQ-BEFAXECRSA-N	1	0	355.486	1.728	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000618841528	555687775	/nfs/dbraw/zinc/68/77/75/555687775.db2.gz	XZMDWRIWRQQHTF-APWZRJJASA-N	1	0	354.454	1.909	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC000618848034	555688326	/nfs/dbraw/zinc/68/83/26/555688326.db2.gz	HNRGZPARWZZMQC-FHWLQOOXSA-N	1	0	354.454	1.786	20	30		FDEDRO
C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)N3CC[C@@](F)(C#N)C3)cccc21	ZINC000619078604	555722031	/nfs/dbraw/zinc/72/20/31/555722031.db2.gz	URFHKNPJZSKDLN-RDTXWAMCSA-N	1	0	360.389	1.474	20	30		FDEDRO
CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2cccc(CC#N)c2)CC1	ZINC000619486971	555786276	/nfs/dbraw/zinc/78/62/76/555786276.db2.gz	NRPKVIOITVAJSY-INIZCTEOSA-N	1	0	364.515	1.305	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2cccc(CC#N)c2)CC1	ZINC000619498437	555790016	/nfs/dbraw/zinc/79/00/16/555790016.db2.gz	BABIIWXISJSRNL-OAHLLOKOSA-N	1	0	350.488	1.057	20	30		FDEDRO
C[C@@H](C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)n1cnc(C#N)n1	ZINC000619617467	555810251	/nfs/dbraw/zinc/81/02/51/555810251.db2.gz	ZFMGOZWHTYDCNY-PKSQDBQZSA-N	1	0	370.379	1.632	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NCc1ccc(C)nc1N1CCCC1	ZINC000619713044	555824833	/nfs/dbraw/zinc/82/48/33/555824833.db2.gz	RTWMIIRYGRONSV-UHFFFAOYSA-N	1	0	351.476	1.560	20	30		FDEDRO
C[NH+](C)CCn1cc(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)cn1	ZINC000619727427	555827142	/nfs/dbraw/zinc/82/71/42/555827142.db2.gz	KVFPJRSDDSLQSF-UHFFFAOYSA-N	1	0	367.457	1.929	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1	ZINC000619871685	555846916	/nfs/dbraw/zinc/84/69/16/555846916.db2.gz	TYQJCPFVTCZZGO-KRWDZBQOSA-N	1	0	373.453	1.659	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1	ZINC000622026710	556205130	/nfs/dbraw/zinc/20/51/30/556205130.db2.gz	PRQNQAOMJRTMKI-OXJNMPFZSA-N	1	0	357.454	1.550	20	30		FDEDRO
C[NH+]1CCN(CCOc2ccc(-c3ccc(C#CCO)nc3)cc2)CC1	ZINC000623168311	556366933	/nfs/dbraw/zinc/36/69/33/556366933.db2.gz	MNHOXKYFWSDSIF-UHFFFAOYSA-N	1	0	351.450	1.719	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)CC1	ZINC000623635061	556459827	/nfs/dbraw/zinc/45/98/27/556459827.db2.gz	RSGPQCVKMIMUSM-LJQANCHMSA-N	1	0	373.501	1.232	20	30		FDEDRO
C=CC[C@@H]1CCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1	ZINC000624200775	556552899	/nfs/dbraw/zinc/55/28/99/556552899.db2.gz	SICZYZDPOADLAN-QGZVFWFLSA-N	1	0	350.507	1.391	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1	ZINC000624412190	556585914	/nfs/dbraw/zinc/58/59/14/556585914.db2.gz	MKFWLNUUWWVMLZ-HDICACEKSA-N	1	0	363.483	1.223	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCO[C@@H](CCF)C1	ZINC000624839777	556652401	/nfs/dbraw/zinc/65/24/01/556652401.db2.gz	JPQZMQPHTNLDSM-PMPSAXMXSA-N	1	0	365.453	1.565	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)C(C)C	ZINC000625557671	556852750	/nfs/dbraw/zinc/85/27/50/556852750.db2.gz	QKWZOMVVJCODAF-AEFFLSMTSA-N	1	0	373.501	1.588	20	30		FDEDRO
C=CC[C@@H]1CC[N@@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)C1	ZINC000625705209	556907021	/nfs/dbraw/zinc/90/70/21/556907021.db2.gz	SSYSTEOUHRMVSB-UONOGXRCSA-N	1	0	363.483	1.510	20	30		FDEDRO
C=CC[C@H]1CC[N@@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)C1	ZINC000625705204	556907399	/nfs/dbraw/zinc/90/73/99/556907399.db2.gz	SSYSTEOUHRMVSB-KGLIPLIRSA-N	1	0	363.483	1.510	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)cc1	ZINC000626845437	557190743	/nfs/dbraw/zinc/19/07/43/557190743.db2.gz	BSXJQDABGKHQGV-INIZCTEOSA-N	1	0	373.457	1.389	20	30		FDEDRO
O[C@H](C[NH2+]CC#Cc1cccc(C(F)(F)F)c1)CC1(O)CCOCC1	ZINC000634698224	558506052	/nfs/dbraw/zinc/50/60/52/558506052.db2.gz	DXNGAUZGISJKKS-INIZCTEOSA-N	1	0	357.372	1.939	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CC[NH2+]CC(C)(C)C3)cc2C1=O	ZINC000634755099	558521748	/nfs/dbraw/zinc/52/17/48/558521748.db2.gz	RGLGMVRBHKEWMN-AWEZNQCLSA-N	1	0	355.438	1.977	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc3c2NC(=O)CO3)CC1	ZINC000635050025	558564448	/nfs/dbraw/zinc/56/44/48/558564448.db2.gz	CQWJUUSYVKRSOD-UHFFFAOYSA-N	1	0	372.425	1.113	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1)C(C)C	ZINC000635558491	558724547	/nfs/dbraw/zinc/72/45/47/558724547.db2.gz	ABMZQTIHVYRALG-FGTMMUONSA-N	1	0	373.501	1.231	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000636740444	567998975	/nfs/dbraw/zinc/99/89/75/567998975.db2.gz	HTXHZDZOEPNEHB-HNNXBMFYSA-N	1	0	351.491	1.322	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N2CC[C@H](Oc3cccnc3N(C)C)C2)CC[N@@H+]1C	ZINC000330331837	568249396	/nfs/dbraw/zinc/24/93/96/568249396.db2.gz	OJYOVOIUWWTZSQ-OAGGEKHMSA-N	1	0	361.490	1.997	20	30		FDEDRO
C#CCCNC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000735375721	598839642	/nfs/dbraw/zinc/83/96/42/598839642.db2.gz	QABSKYWCSBVKAP-UHFFFAOYSA-N	1	0	353.430	1.107	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000735375515	598930210	/nfs/dbraw/zinc/93/02/10/598930210.db2.gz	MNIGEVODWYOZGE-CQSZACIVSA-N	1	0	368.441	1.238	20	30		FDEDRO
COC(=O)CCC[NH+]1CCC(=NNCc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000821659964	607254628	/nfs/dbraw/zinc/25/46/28/607254628.db2.gz	AHDGUNDGWBJUQK-UHFFFAOYSA-N	1	0	371.445	1.361	20	30		FDEDRO
C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000735421391	598974165	/nfs/dbraw/zinc/97/41/65/598974165.db2.gz	XYWCEGQOOLBUCI-MRXNPFEDSA-N	1	0	367.457	1.801	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)COc1cccc(-c2nn[nH]n2)c1	ZINC000821182793	607322498	/nfs/dbraw/zinc/32/24/98/607322498.db2.gz	ZVHCOCIBSZQBKJ-AWEZNQCLSA-N	1	0	357.414	1.522	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000735426245	598361393	/nfs/dbraw/zinc/36/13/93/598361393.db2.gz	MUXFFXAYSIPXJC-ZDUSSCGKSA-N	1	0	356.430	1.401	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)COc2ccc(-c3nn[nH]n3)cc2OC)CC1	ZINC000735426540	598361484	/nfs/dbraw/zinc/36/14/84/598361484.db2.gz	RLAHBXXFZLRHFQ-UHFFFAOYSA-N	1	0	372.429	1.021	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CSc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000735426948	598361816	/nfs/dbraw/zinc/36/18/16/598361816.db2.gz	ZJLOSOMNNAMKJS-UHFFFAOYSA-N	1	0	358.471	1.725	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CCCN(c3cnc(-c4nn[nH]n4)cn3)CC2)cc1	ZINC000737710793	598385977	/nfs/dbraw/zinc/38/59/77/598385977.db2.gz	CCDSSJYPEGTYTL-UHFFFAOYSA-N	1	0	361.413	1.241	20	30		FDEDRO
C=CCOc1ccccc1C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1	ZINC000735437154	598713604	/nfs/dbraw/zinc/71/36/04/598713604.db2.gz	YKCIFIDUQVMJCB-ZDUSSCGKSA-N	1	0	366.429	1.460	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1	ZINC000272611792	674461116	/nfs/dbraw/zinc/46/11/16/674461116.db2.gz	KNORWFHHTHWTTP-PBHICJAKSA-N	1	0	363.483	1.317	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1	ZINC000272611795	674461124	/nfs/dbraw/zinc/46/11/24/674461124.db2.gz	KNORWFHHTHWTTP-RHSMWYFYSA-N	1	0	363.483	1.317	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)o1	ZINC000822825405	599426680	/nfs/dbraw/zinc/42/66/80/599426680.db2.gz	DLHPCKWNHGXECB-UHFFFAOYSA-N	1	0	350.386	1.485	20	30		FDEDRO
C=CCS(=O)(=O)CCNCc1c(Cl)cccc1N1CC[NH+](C)CC1	ZINC000272886374	674484751	/nfs/dbraw/zinc/48/47/51/674484751.db2.gz	WUJBAASIUOHUBI-UHFFFAOYSA-N	1	0	371.934	1.782	20	30		FDEDRO
C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCCCC#N)cc1Cl	ZINC000273068171	674501864	/nfs/dbraw/zinc/50/18/64/674501864.db2.gz	CZJCVKSPMWXYQG-UHFFFAOYSA-N	1	0	352.822	1.639	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CC1	ZINC000819722248	606681237	/nfs/dbraw/zinc/68/12/37/606681237.db2.gz	FGRDEOGJGHCPRG-UHFFFAOYSA-N	1	0	362.384	1.915	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CCCN(c3cnccc3-c3nn[nH]n3)CC2)cc1	ZINC000826384847	607838944	/nfs/dbraw/zinc/83/89/44/607838944.db2.gz	LSVHJWTUCGIVGP-UHFFFAOYSA-N	1	0	360.425	1.846	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(OC)c(Cl)c2)CC1	ZINC000286376003	675895296	/nfs/dbraw/zinc/89/52/96/675895296.db2.gz	CRHFNBBJAYEUIT-UHFFFAOYSA-N	1	0	365.861	1.731	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH+]1CCC(Oc2cncc(Cl)n2)CC1	ZINC000275051735	674603529	/nfs/dbraw/zinc/60/35/29/674603529.db2.gz	LMBUJNQMJHVKFY-UHFFFAOYSA-N	1	0	351.838	1.735	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](c2nc(C)cs2)C2CC2)CC1	ZINC000286446338	675895759	/nfs/dbraw/zinc/89/57/59/675895759.db2.gz	HGKXTKGBAJRZNW-OAHLLOKOSA-N	1	0	362.499	1.785	20	30		FDEDRO
N#Cc1ncccc1S(=O)(=O)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000277100615	674857151	/nfs/dbraw/zinc/85/71/51/674857151.db2.gz	WTCSKEWYHQIEEG-UHFFFAOYSA-N	1	0	356.451	1.896	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)c1	ZINC000277155260	674872103	/nfs/dbraw/zinc/87/21/03/674872103.db2.gz	IVACDEURRYBROB-INIZCTEOSA-N	1	0	363.483	1.154	20	30		FDEDRO
Cc1cccc(S(=O)(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)c1C#N	ZINC000277884691	675059718	/nfs/dbraw/zinc/05/97/18/675059718.db2.gz	OCXVJKPEJSYGAQ-HNNXBMFYSA-N	1	0	351.472	1.646	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N(C)C2CC[NH+](CC)CC2)cc1	ZINC000043066076	670933461	/nfs/dbraw/zinc/93/34/61/670933461.db2.gz	WFBGQLDRECSUHO-UHFFFAOYSA-N	1	0	363.483	1.154	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)CN2CCC[C@@](F)(CO)C2)c(OC)c1	ZINC000286715327	675900448	/nfs/dbraw/zinc/90/04/48/675900448.db2.gz	CCICBNUURARGBN-LPHOPBHVSA-N	1	0	353.434	1.960	20	30		FDEDRO
CC[NH+]=C(NCC1CCSCC1)N1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000086833434	671484273	/nfs/dbraw/zinc/48/42/73/671484273.db2.gz	AXJSJRPZYJEMCU-MRXNPFEDSA-N	1	0	368.547	1.418	20	30		FDEDRO
C=CCc1cc(C[N@H+]2CC[C@H](S(=O)(=O)NCC)C2)c(O)c(OC)c1	ZINC000092304575	671516306	/nfs/dbraw/zinc/51/63/06/671516306.db2.gz	BSMVOMXOSBGCLN-HNNXBMFYSA-N	1	0	354.472	1.643	20	30		FDEDRO
C[NH+](C)CCNC(=O)CC1S/C(=N/c2ccc3c(c2)CCC3)NC1=O	ZINC000106898578	671608879	/nfs/dbraw/zinc/60/88/79/671608879.db2.gz	RYJKHAAGGORXNS-HNNXBMFYSA-N	1	0	360.483	1.462	20	30		FDEDRO
CC(C)[C@@H](CNS(=O)(=O)c1cccc(F)c1C#N)N1CC[NH+](C)CC1	ZINC000122252753	671714668	/nfs/dbraw/zinc/71/46/68/671714668.db2.gz	QCPDQDWXNHDTIJ-MRXNPFEDSA-N	1	0	368.478	1.248	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCCOCC3CC3)=[NH+]C[C@H]2C1	ZINC000133867070	671824087	/nfs/dbraw/zinc/82/40/87/671824087.db2.gz	HEFAJTBBSSTJKZ-HNNXBMFYSA-N	1	0	352.479	1.684	20	30		FDEDRO
Cc1cnc(CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)s1	ZINC000133990396	671824922	/nfs/dbraw/zinc/82/49/22/671824922.db2.gz	KIVVXEXZZZPZGS-LBPRGKRZSA-N	1	0	351.476	1.832	20	30		FDEDRO
C=CCc1cc(OCC)cc(C[N@@H+]2CC[C@H](S(=O)(=O)NC)C2)c1O	ZINC000138343440	671847128	/nfs/dbraw/zinc/84/71/28/671847128.db2.gz	VGCVTZKEDUXCOU-INIZCTEOSA-N	1	0	354.472	1.643	20	30		FDEDRO
CC[NH+]=C(NC[C@H](O)C1CCCCC1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158594552	671981302	/nfs/dbraw/zinc/98/13/02/671981302.db2.gz	VHLDKDHECIJXLA-HNNXBMFYSA-N	1	0	359.536	1.402	20	30		FDEDRO
C[NH+]=C(NCCSCc1ccccc1C#N)NCCN1CCOCC1	ZINC000170908161	672047849	/nfs/dbraw/zinc/04/78/49/672047849.db2.gz	WHSPPJHLJRWWTD-UHFFFAOYSA-N	1	0	361.515	1.289	20	30		FDEDRO
C[NH+]=C(NCCSCc1ccccc1F)NCCN1CCOCC1	ZINC000170908038	672047928	/nfs/dbraw/zinc/04/79/28/672047928.db2.gz	TXJUBCCIEHOOKU-UHFFFAOYSA-N	1	0	354.495	1.556	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1	ZINC000177449935	672125738	/nfs/dbraw/zinc/12/57/38/672125738.db2.gz	QHBJJOUXCJBROZ-HOTGVXAUSA-N	1	0	363.483	1.201	20	30		FDEDRO
COc1ccc([C@@H](CNC(=[NH2+])NC[C@H]2CCCO2)N(C)C)cc1OC	ZINC000195522061	672408269	/nfs/dbraw/zinc/40/82/69/672408269.db2.gz	SSBAWFHRLPQBPZ-HUUCEWRRSA-N	1	0	350.463	1.390	20	30		FDEDRO
C[N@@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C[C@@H]1CCOC1	ZINC000245923302	672473586	/nfs/dbraw/zinc/47/35/86/672473586.db2.gz	YKZKYVLIITTXQB-JKSUJKDBSA-N	1	0	362.499	1.425	20	30		FDEDRO
CCc1nsc(N2CCN(C(NCC(C)(C)SC)=[NH+]C)CC2)n1	ZINC000261651717	672643552	/nfs/dbraw/zinc/64/35/52/672643552.db2.gz	ABTAWYQBTPMOIF-UHFFFAOYSA-N	1	0	356.565	1.940	20	30		FDEDRO
C[NH+]=C(NCCSC(F)(F)F)N1CCO[C@H](c2cnn(C)c2)C1	ZINC000261665624	672646432	/nfs/dbraw/zinc/64/64/32/672646432.db2.gz	BJLZOAYPEIZMCJ-NSHDSACASA-N	1	0	351.398	1.622	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1COCCO1)N(C)Cc1cc(Br)cn1C	ZINC000261694255	672652783	/nfs/dbraw/zinc/65/27/83/672652783.db2.gz	FKVIOMNUICORSD-CQSZACIVSA-N	1	0	373.295	1.600	20	30		FDEDRO
CCS(=O)(=O)NCCNC(=[NH+]C)N1CC[C@@](C)(c2ccccc2)C1	ZINC000261768507	672668753	/nfs/dbraw/zinc/66/87/53/672668753.db2.gz	NTPHQLYYUHNBIH-QGZVFWFLSA-N	1	0	352.504	1.165	20	30		FDEDRO
C[NH+]=C(NCc1cc(Br)cs1)N1CCO[C@H](COC)C1	ZINC000261772001	672669461	/nfs/dbraw/zinc/66/94/61/672669461.db2.gz	DSEOFKPRESTYNL-NSHDSACASA-N	1	0	362.293	1.933	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCCN1S(C)(=O)=O)N[C@H](C)Cc1ccc(C)s1	ZINC000261806312	672675111	/nfs/dbraw/zinc/67/51/11/672675111.db2.gz	RZPSNKOCQZPUTB-TZMCWYRMSA-N	1	0	372.560	1.577	20	30		FDEDRO
C[NH+]=C(NC[C@]1(O)CCSC1)N[C@@H]1CCN(c2c(F)cccc2F)C1	ZINC000261812920	672676471	/nfs/dbraw/zinc/67/64/71/672676471.db2.gz	SVGIVSWMQHOGSD-SJKOYZFVSA-N	1	0	370.469	1.577	20	30		FDEDRO
C[NH+]=C(NCc1cccc2cccnc21)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261977365	672705832	/nfs/dbraw/zinc/70/58/32/672705832.db2.gz	NZAVDSFYSJSMAH-UHFFFAOYSA-N	1	0	360.483	1.819	20	30		FDEDRO
CC[NH+]=C(NCCc1ccc(F)cc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261983432	672706509	/nfs/dbraw/zinc/70/65/09/672706509.db2.gz	PNBHRSGJIXNSCL-UHFFFAOYSA-N	1	0	355.479	1.843	20	30		FDEDRO
CC[C@@H]1CN(C(NCC(=O)N2CCc3ccccc3C2)=[NH+]C)CCS1	ZINC000262047748	672717906	/nfs/dbraw/zinc/71/79/06/672717906.db2.gz	ZEKNNQXGKHOTAO-QGZVFWFLSA-N	1	0	360.527	1.974	20	30		FDEDRO
CC(C)C[NH+]=C(NCC(=O)N(C)C)N[C@H]1CCOC2(CCSCC2)C1	ZINC000262251380	672754774	/nfs/dbraw/zinc/75/47/74/672754774.db2.gz	BYGSSOUAGQTTMD-HNNXBMFYSA-N	1	0	370.563	1.711	20	30		FDEDRO
CN(C)C(=O)CNC(=[NH+]C[C@@H]1CCCO1)N1CCC2(C1)CCCCC2	ZINC000262263935	672758026	/nfs/dbraw/zinc/75/80/26/672758026.db2.gz	FHUMLUWANUZXHV-INIZCTEOSA-N	1	0	350.507	1.855	20	30		FDEDRO
C[NH+]=C(NCc1cc(Br)cs1)NC[C@H](O)c1cnn(C)c1	ZINC000262310338	672766897	/nfs/dbraw/zinc/76/68/97/672766897.db2.gz	BILNNXYOKXQYEZ-LBPRGKRZSA-N	1	0	372.292	1.643	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	ZINC000262329856	672770988	/nfs/dbraw/zinc/77/09/88/672770988.db2.gz	ASWSQTRTGRFYSR-XQLPTFJDSA-N	1	0	357.520	1.178	20	30		FDEDRO
Cn1ccc(CNC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CCCCC2)n1	ZINC000262332572	672771795	/nfs/dbraw/zinc/77/17/95/672771795.db2.gz	BGCANZLIRBRRSC-CQSZACIVSA-N	1	0	367.519	1.223	20	30		FDEDRO
CC(C)C[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCc2ncsc2C1	ZINC000262333469	672772170	/nfs/dbraw/zinc/77/21/70/672772170.db2.gz	BKYDDLUSNXRYRL-CYBMUJFWSA-N	1	0	370.544	1.538	20	30		FDEDRO
CC[C@H](C)[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CCOC2(CCSCC2)C1	ZINC000262342345	672773869	/nfs/dbraw/zinc/77/38/69/672773869.db2.gz	XINUGCHOXGAFSY-LSDHHAIUSA-N	1	0	370.563	1.853	20	30		FDEDRO
C[C@]1(CNC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CCCCC2)CCCO1	ZINC000262345689	672774119	/nfs/dbraw/zinc/77/41/19/672774119.db2.gz	DGCPFLFIDYAKHE-CRAIPNDOSA-N	1	0	371.547	1.858	20	30		FDEDRO
C[NH+]=C(N[C@@H]1C[C@@](C)(OC)C1(C)C)NC1CCN(C(=O)C2CC2)CC1	ZINC000262395345	672782696	/nfs/dbraw/zinc/78/26/96/672782696.db2.gz	MWUHJLPPMVRFOW-DNVCBOLYSA-N	1	0	350.507	1.756	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCOC2(CCCCC2)C1	ZINC000262432722	672788519	/nfs/dbraw/zinc/78/85/19/672788519.db2.gz	SRPGBWPMRXRDEE-JKSUJKDBSA-N	1	0	371.547	1.858	20	30		FDEDRO
CC[NH+]=C(NC[C@](C)(O)c1ccco1)N1CCN(C(=O)C(C)C)CC1	ZINC000262467888	672794669	/nfs/dbraw/zinc/79/46/69/672794669.db2.gz	YOISJAPKNSHOSY-SFHVURJKSA-N	1	0	350.463	1.253	20	30		FDEDRO
Cc1cc(Br)cn2cc(CNC(=[NH2+])N3CCO[C@H](C)C3)nc12	ZINC000262493694	672798880	/nfs/dbraw/zinc/79/88/80/672798880.db2.gz	VSZVRTSNDVFUTI-LLVKDONJSA-N	1	0	366.263	1.941	20	30		FDEDRO
C[NH+]=C(NCc1ccnn1C)NCc1nc(-c2cccc(Cl)c2)no1	ZINC000262517288	672802121	/nfs/dbraw/zinc/80/21/21/672802121.db2.gz	NDYXBWGYOKOJEX-UHFFFAOYSA-N	1	0	359.821	1.989	20	30		FDEDRO
CC[NH+]=C(NCCC1CCCC1)N1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000262522850	672802829	/nfs/dbraw/zinc/80/28/29/672802829.db2.gz	FPXVNXFNGKEIBT-QGZVFWFLSA-N	1	0	350.507	1.855	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NC[C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1	ZINC000262675912	672828771	/nfs/dbraw/zinc/82/87/71/672828771.db2.gz	TZJDZEBZSVPILA-IUODEOHRSA-N	1	0	354.476	1.530	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)NC[C@@](C)(O)c1ccsc1	ZINC000262756641	672843168	/nfs/dbraw/zinc/84/31/68/672843168.db2.gz	DNQSRQOOPBIGBL-SUMWQHHRSA-N	1	0	362.503	1.283	20	30		FDEDRO
C[NH+]=C(NC[C@@H](O)C1CCCCC1)NC1CCN(C(=O)C2CC2)CC1	ZINC000262766605	672845189	/nfs/dbraw/zinc/84/51/89/672845189.db2.gz	GGTVVZQJBYDABX-QGZVFWFLSA-N	1	0	350.507	1.494	20	30		FDEDRO
C[NH+]=C(NC[C@H](O)C1CCCCC1)NC1CCN(C(=O)C2CC2)CC1	ZINC000262766604	672845448	/nfs/dbraw/zinc/84/54/48/672845448.db2.gz	GGTVVZQJBYDABX-KRWDZBQOSA-N	1	0	350.507	1.494	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](O)c2ccccc2F)CC1	ZINC000264084682	672900756	/nfs/dbraw/zinc/90/07/56/672900756.db2.gz	IVDMKHLEBDGUET-OAHLLOKOSA-N	1	0	352.410	1.384	20	30		FDEDRO
CCN1CCC[C@H]1CNC(=[NH2+])NCCCS(=O)(=O)Cc1ccccc1	ZINC000264082383	672900775	/nfs/dbraw/zinc/90/07/75/672900775.db2.gz	HXEUODLNNJHKBT-KRWDZBQOSA-N	1	0	366.531	1.380	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)NCC)cc2)CC1	ZINC000264481218	672914324	/nfs/dbraw/zinc/91/43/24/672914324.db2.gz	LKTNEFDPPAGQSB-UHFFFAOYSA-N	1	0	351.472	1.365	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1	ZINC000264660279	672920644	/nfs/dbraw/zinc/92/06/44/672920644.db2.gz	SVMWSCVTDVALEE-CQSZACIVSA-N	1	0	363.483	1.365	20	30		FDEDRO
COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000265373899	672932752	/nfs/dbraw/zinc/93/27/52/672932752.db2.gz	IXSSYXUQFAOIOB-UHFFFAOYSA-N	1	0	364.471	1.325	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@]1([NH+](C)C)CCSC1	ZINC000267090784	673248999	/nfs/dbraw/zinc/24/89/99/673248999.db2.gz	IMZPYZDJNVHYHL-SFHVURJKSA-N	1	0	362.499	1.762	20	30		FDEDRO
C#CCSCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO	ZINC000267092814	673249092	/nfs/dbraw/zinc/24/90/92/673249092.db2.gz	UWVYXJXINXOHRF-ROUUACIJSA-N	1	0	361.511	1.535	20	30		FDEDRO
COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(C)c1C#N	ZINC000289586178	676155679	/nfs/dbraw/zinc/15/56/79/676155679.db2.gz	PKVSMPJYNSRXDN-UHFFFAOYSA-N	1	0	365.499	1.988	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NCCC[N@@H+]1CCc2ccccc2C1	ZINC000282359053	675625863	/nfs/dbraw/zinc/62/58/63/675625863.db2.gz	BCKHBNRCUGOXMM-HNNXBMFYSA-N	1	0	350.488	1.361	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000282814506	675642669	/nfs/dbraw/zinc/64/26/69/675642669.db2.gz	LDRHNVFKEVFNOD-RDJZCZTQSA-N	1	0	350.488	1.577	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[N@H+](Cc2ccccc2)CC1	ZINC000282998028	675646729	/nfs/dbraw/zinc/64/67/29/675646729.db2.gz	NOMPFPKRIBXCOB-MRXNPFEDSA-N	1	0	350.488	1.673	20	30		FDEDRO
COc1ccc([C@@H](CN(C)C)NS(=O)(=O)N(C)C[C@@H](C)C#N)cc1	ZINC000284118635	675672102	/nfs/dbraw/zinc/67/21/02/675672102.db2.gz	XJVBPEPYMWDBGO-XJKSGUPXSA-N	1	0	354.476	1.224	20	30		FDEDRO
COc1ccc(Br)c(C(=O)NCCCNC2=[NH+]C[C@H](C)N2)c1	ZINC000285075613	675793415	/nfs/dbraw/zinc/79/34/15/675793415.db2.gz	MYHPHUOCCRZJAW-JTQLQIEISA-N	1	0	369.263	1.515	20	30		FDEDRO
C[C@H](C[NH3+])C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1	ZINC000285647021	675838145	/nfs/dbraw/zinc/83/81/45/675838145.db2.gz	HAZNGBYJWZKYAN-MMOSJZJFSA-N	1	0	366.487	1.813	20	30		FDEDRO
CS(=O)(=O)N1CCC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1	ZINC000286015328	675861453	/nfs/dbraw/zinc/86/14/53/675861453.db2.gz	JKIXFDCOOUZZRC-KRWDZBQOSA-N	1	0	362.499	1.541	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cnc(Br)c(C)c1	ZINC000293406360	676349734	/nfs/dbraw/zinc/34/97/34/676349734.db2.gz	OTSJEFWQFZAKBI-UHFFFAOYSA-N	1	0	367.247	1.162	20	30		FDEDRO
COCCOCCCNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1	ZINC000303779532	676542780	/nfs/dbraw/zinc/54/27/80/676542780.db2.gz	KPJQYOJZCCTTBK-UHFFFAOYSA-N	1	0	354.882	1.830	20	30		FDEDRO
CC(C)CCNC(=[NH2+])NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000303985853	676543954	/nfs/dbraw/zinc/54/39/54/676543954.db2.gz	UCGDCVXYSNAAJI-UHFFFAOYSA-N	1	0	365.909	1.939	20	30		FDEDRO
CSc1nnc(CCCNC(=[NH2+])N2CCOCC2)n1C1CCCC1	ZINC000303909277	676543956	/nfs/dbraw/zinc/54/39/56/676543956.db2.gz	YBOUCXVWRHPANK-UHFFFAOYSA-N	1	0	352.508	1.695	20	30		FDEDRO
[NH2+]=C(NCCCO[C@@H]1CCOC1)N1CCN(c2ccc(F)cc2)CC1	ZINC000304984778	676544792	/nfs/dbraw/zinc/54/47/92/676544792.db2.gz	AWGQATDHJZKRIA-QGZVFWFLSA-N	1	0	350.438	1.458	20	30		FDEDRO
O=C(NCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1cccs1	ZINC000328662866	676601268	/nfs/dbraw/zinc/60/12/68/676601268.db2.gz	XOUXEZKXWPSTKC-CQSZACIVSA-N	1	0	350.488	1.952	20	30		FDEDRO
CS(=O)(=O)N1CC[C@@H](CNC(=O)N2CCC([NH+]3CCCCC3)CC2)C1	ZINC000328709243	676603320	/nfs/dbraw/zinc/60/33/20/676603320.db2.gz	FUEHQOAUVJRDQO-HNNXBMFYSA-N	1	0	372.535	1.132	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O	ZINC000328710676	676603507	/nfs/dbraw/zinc/60/35/07/676603507.db2.gz	RDRJBHDTGBJAAD-BBWFWOEESA-N	1	0	353.507	1.932	20	30		FDEDRO
C[C@H](CO[C@H]1CCOC1)NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000328752759	676605274	/nfs/dbraw/zinc/60/52/74/676605274.db2.gz	SAAWKUNWKKBFQE-ZACQAIPSSA-N	1	0	355.479	1.139	20	30		FDEDRO
C[C@@H]1C[NH+](CC2CCN(C(=O)NC[C@@H]3COCCO3)CC2)C[C@@H](C)O1	ZINC000328781459	676606856	/nfs/dbraw/zinc/60/68/56/676606856.db2.gz	UURMPBJAFSJRKP-BFYDXBDKSA-N	1	0	355.479	1.137	20	30		FDEDRO
CC(C)C(=O)Nc1nc(CC(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)cs1	ZINC000328936095	676612486	/nfs/dbraw/zinc/61/24/86/676612486.db2.gz	CNPWBVGLJAHUOE-ZIAGYGMSSA-N	1	0	366.487	1.861	20	30		FDEDRO
C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCN1CCN(C(=O)C2CCC2)CC1	ZINC000328952119	676613517	/nfs/dbraw/zinc/61/35/17/676613517.db2.gz	XNPUMFNYGQZTQG-HZPDHXFCSA-N	1	0	350.507	1.760	20	30		FDEDRO
CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CCOC3(CCOCC3)C2)[N@H+](C)C1	ZINC000329097494	676619950	/nfs/dbraw/zinc/61/99/50/676619950.db2.gz	YNWRDDJVMDLLJL-PMPSAXMXSA-N	1	0	355.479	1.280	20	30		FDEDRO
CO[C@H]1C[C@@H](C(N)=O)N(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1	ZINC000329130626	676621703	/nfs/dbraw/zinc/62/17/03/676621703.db2.gz	OMIHCDGYCRTCTH-KBPBESRZSA-N	1	0	354.451	1.170	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)CC1	ZINC000329137984	676622174	/nfs/dbraw/zinc/62/21/74/676622174.db2.gz	HWMWFQJZMIMNFO-QAPCUYQASA-N	1	0	355.479	1.063	20	30		FDEDRO
CC(C)(CNC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)C[NH+]1CCCC1	ZINC000329195381	676624383	/nfs/dbraw/zinc/62/43/83/676624383.db2.gz	SINSLPPXKLSLGQ-BBWFWOEESA-N	1	0	353.507	1.884	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1	ZINC000329267110	676629528	/nfs/dbraw/zinc/62/95/28/676629528.db2.gz	HRAXDGFAKCCEME-BFYDXBDKSA-N	1	0	373.519	1.053	20	30		FDEDRO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN(CC(F)(F)F)C(=O)C2)C1	ZINC000329267836	676629768	/nfs/dbraw/zinc/62/97/68/676629768.db2.gz	HWOAXAJOWBCJTL-NEPJUHHUSA-N	1	0	350.385	1.336	20	30		FDEDRO
C[C@H](CNC(=O)CS(=O)(=O)NC1CCC(C)CC1)N1CC[NH+](C)CC1	ZINC000329281178	676630526	/nfs/dbraw/zinc/63/05/26/676630526.db2.gz	NFBHCNWETGRDDR-HWOWSKLDSA-N	1	0	374.551	1.077	20	30		FDEDRO
CCc1nc(CN2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)cs1	ZINC000329303142	676632208	/nfs/dbraw/zinc/63/22/08/676632208.db2.gz	NTPKTLIGQJGVRI-CQSZACIVSA-N	1	0	363.531	1.974	20	30		FDEDRO
CN(C)C(=O)CC1CCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1	ZINC000329329880	676633475	/nfs/dbraw/zinc/63/34/75/676633475.db2.gz	YSDNULFCZJOWIL-KRWDZBQOSA-N	1	0	356.536	1.528	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)N2CCOC[C@H]2c2noc(C(C)C)n2)CC1	ZINC000329356920	676635045	/nfs/dbraw/zinc/63/50/45/676635045.db2.gz	WJOUIEZXMMGGMT-AWEZNQCLSA-N	1	0	351.451	1.965	20	30		FDEDRO
Cc1sc2ncn(CC(=O)NC[C@H]3C[N@@H+](C)CCN3C)c(=O)c2c1C	ZINC000329389197	676636700	/nfs/dbraw/zinc/63/67/00/676636700.db2.gz	UITDKMRONKOSMW-ZDUSSCGKSA-N	1	0	363.487	1.277	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)Cc3csc4nccn34)CC2)C1=O	ZINC000329462700	676639812	/nfs/dbraw/zinc/63/98/12/676639812.db2.gz	SYWYYUWGALBQNW-CQSZACIVSA-N	1	0	361.471	1.590	20	30		FDEDRO
CC(C)(CNC(=O)N1CC[C@@H](C(=O)N2CCCC2)C1)C[NH+]1CCCC1	ZINC000329541203	676643250	/nfs/dbraw/zinc/64/32/50/676643250.db2.gz	NIAFJXQRHLOEGM-MRXNPFEDSA-N	1	0	350.507	1.967	20	30		FDEDRO
C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCC([NH+]2CCCCC2)CC1	ZINC000329554716	676643763	/nfs/dbraw/zinc/64/37/63/676643763.db2.gz	QALXIGMCTBBLBF-OAHLLOKOSA-N	1	0	350.507	1.903	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCOC[C@@H]1CC(F)F	ZINC000329568325	676644378	/nfs/dbraw/zinc/64/43/78/676644378.db2.gz	TYXTULANPINBOE-ZNMIVQPWSA-N	1	0	361.433	1.634	20	30		FDEDRO
C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000329667197	676648471	/nfs/dbraw/zinc/64/84/71/676648471.db2.gz	LHYRAHPLCJICAS-PRPFIWJCSA-N	1	0	357.520	1.243	20	30		FDEDRO
C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1	ZINC000329721820	676651756	/nfs/dbraw/zinc/65/17/56/676651756.db2.gz	FBOITDSOMUWGQF-NPCUJANDSA-N	1	0	350.463	1.735	20	30		FDEDRO
C[C@H](CNC(=O)N1CCS(=O)(=O)C2(CCCCC2)C1)[N@H+](C)C1CC1	ZINC000329776267	676655237	/nfs/dbraw/zinc/65/52/37/676655237.db2.gz	NXBAMKCYRAUQSZ-CQSZACIVSA-N	1	0	357.520	1.816	20	30		FDEDRO
CC(C)(C)c1nnc(CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)s1	ZINC000329844118	676660479	/nfs/dbraw/zinc/66/04/79/676660479.db2.gz	PRUOCLOFWKEKBO-CYBMUJFWSA-N	1	0	367.519	1.904	20	30		FDEDRO
C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000329853339	676660867	/nfs/dbraw/zinc/66/08/67/676660867.db2.gz	SADMOISHQGPSMC-DGCLKSJQSA-N	1	0	364.412	1.726	20	30		FDEDRO
CS(=O)(=O)c1ccc(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)s1	ZINC000329874423	676661866	/nfs/dbraw/zinc/66/18/66/676661866.db2.gz	FRJGJCJVMFCXGP-LBPRGKRZSA-N	1	0	357.501	1.736	20	30		FDEDRO
Cn1cc([C@]2(C)CN(C(=O)NC[C@@]3([NH+](C)C)CCSC3)CCO2)cn1	ZINC000329967654	676666156	/nfs/dbraw/zinc/66/61/56/676666156.db2.gz	WHYDKDQDQPWYHL-IRXDYDNUSA-N	1	0	367.519	1.319	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C12CCOCC2	ZINC000329983403	676667207	/nfs/dbraw/zinc/66/72/07/676667207.db2.gz	PNQIIAFHKXMCSN-MXASKKJJSA-N	1	0	351.491	1.947	20	30		FDEDRO
C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCCCS3(=O)=O)CC2)CC1	ZINC000330019257	676668828	/nfs/dbraw/zinc/66/88/28/676668828.db2.gz	UUOMDMXPCNXOOY-MRXNPFEDSA-N	1	0	357.520	1.469	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)N2CCC(O[C@@H]3CCOC3)CC2)CCSC1	ZINC000330046675	676670177	/nfs/dbraw/zinc/67/01/77/676670177.db2.gz	IUSAQSBPDCYDOM-WBVHZDCISA-N	1	0	357.520	1.608	20	30		FDEDRO
Cn1cnc2c(c1=O)CCN(C(=O)NC[C@H](c1ccsc1)[NH+](C)C)C2	ZINC000330048502	676670237	/nfs/dbraw/zinc/67/02/37/676670237.db2.gz	IOLGFHARJSOLIF-OAHLLOKOSA-N	1	0	361.471	1.417	20	30		FDEDRO
CCO[C@@H]1C[C@H](O)C12CCN(C(=O)NC[C@@]1([NH+](C)C)CCSC1)CC2	ZINC000330082185	676671734	/nfs/dbraw/zinc/67/17/34/676671734.db2.gz	ANRBVAOYNYICSP-UXLLHSPISA-N	1	0	371.547	1.590	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@H](C)O[C@]2(CCCOC2)C1	ZINC000330102177	676672532	/nfs/dbraw/zinc/67/25/32/676672532.db2.gz	FWVDUNHCQYYJGF-LZLYRXPVSA-N	1	0	355.479	1.281	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N(C[C@H]1CCOC1)C1CC1	ZINC000330216014	676679127	/nfs/dbraw/zinc/67/91/27/676679127.db2.gz	HJXVACPOVHWYNI-OLMNPRSZSA-N	1	0	351.491	1.779	20	30		FDEDRO
CN(C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)[C@@H]1CCCC[C@H]1O	ZINC000330279204	676682858	/nfs/dbraw/zinc/68/28/58/676682858.db2.gz	QQNLAXNIPAQHNX-QZTJIDSGSA-N	1	0	352.523	1.694	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCC2(C1)CCOCC2	ZINC000330312238	676683604	/nfs/dbraw/zinc/68/36/04/676683604.db2.gz	ODRWEBJULXQOJY-SJORKVTESA-N	1	0	351.491	1.781	20	30		FDEDRO
O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CC[C@@H](O)C12CCCC2	ZINC000330339935	676684746	/nfs/dbraw/zinc/68/47/46/676684746.db2.gz	XGWBZCHHUMDTRH-MRXNPFEDSA-N	1	0	351.491	1.925	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCc2ncnn2C(C)(C)C)CC[N@@H+]1CC(C)(C)O	ZINC000330409793	676689450	/nfs/dbraw/zinc/68/94/50/676689450.db2.gz	KLCDEQKVSVSUBS-CYBMUJFWSA-N	1	0	352.483	1.224	20	30		FDEDRO
C[C@@H]1C[NH+](CCCNC(=O)c2coc(S(=O)(=O)N(C)C)c2)C[C@@H](C)O1	ZINC000330470987	676692155	/nfs/dbraw/zinc/69/21/55/676692155.db2.gz	BPIPAEYYMTZMLD-CHWSQXEVSA-N	1	0	373.475	1.334	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1	ZINC000330485168	676693154	/nfs/dbraw/zinc/69/31/54/676693154.db2.gz	ZTGHPEDCGFPVJI-PMPSAXMXSA-N	1	0	374.551	1.282	20	30		FDEDRO
CS[C@@H]1CN(CC(=O)NC(=O)Nc2ccc(C)cc2C)C[C@@H]1[NH+](C)C	ZINC000330506594	676694491	/nfs/dbraw/zinc/69/44/91/676694491.db2.gz	LTPRQOFYTQQHGX-JKSUJKDBSA-N	1	0	364.515	1.943	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2nccn2CC(F)(F)F)C[C@H]1C	ZINC000330827457	676705455	/nfs/dbraw/zinc/70/54/55/676705455.db2.gz	FXTQXXZGFPYANC-NEPJUHHUSA-N	1	0	363.384	1.246	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)NCCc2cc(F)c(F)c(F)c2)C[C@H]1C	ZINC000330870093	676707633	/nfs/dbraw/zinc/70/76/33/676707633.db2.gz	XCRCSBALVOBRTR-NEPJUHHUSA-N	1	0	359.392	1.947	20	30		FDEDRO
COC(=O)c1cc(CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)oc1C	ZINC000330970225	676711804	/nfs/dbraw/zinc/71/18/04/676711804.db2.gz	FYUCPRIMTBWFGT-UHFFFAOYSA-N	1	0	353.419	1.177	20	30		FDEDRO
CO[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC[C@@H]1C	ZINC000330975874	676712243	/nfs/dbraw/zinc/71/22/43/676712243.db2.gz	JWTWONKAMRXRJN-ARFHVFGLSA-N	1	0	354.495	1.200	20	30		FDEDRO
NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CC[C@](O)(C(F)(F)F)C2)C1	ZINC000331093353	676716371	/nfs/dbraw/zinc/71/63/71/676716371.db2.gz	YHTFXERIJSDCSV-BXUZGUMPSA-N	1	0	366.384	1.537	20	30		FDEDRO
CNS(=O)(=O)c1cc(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c(C)o1	ZINC000331206834	676721840	/nfs/dbraw/zinc/72/18/40/676721840.db2.gz	DUZHGDMYCVOQGJ-ZDUSSCGKSA-N	1	0	373.475	1.158	20	30		FDEDRO
C[NH+](C)CC1CCC(NC(=O)c2ccc(S(N)(=O)=O)c(F)c2)CC1	ZINC000331262248	676724547	/nfs/dbraw/zinc/72/45/47/676724547.db2.gz	CZYFMNXRVCTNIW-UHFFFAOYSA-N	1	0	357.451	1.898	20	30		FDEDRO
CC(C)C[C@]1(CO)CCCN1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	ZINC000331281621	676725415	/nfs/dbraw/zinc/72/54/15/676725415.db2.gz	VFMIHBNNNGUOLO-IBGZPJMESA-N	1	0	354.539	1.799	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)CCCC1	ZINC000331319466	676727126	/nfs/dbraw/zinc/72/71/26/676727126.db2.gz	KNQBQEBLRSQTAX-GFCCVEGCSA-N	1	0	364.412	1.918	20	30		FDEDRO
CC[C@H](CNS(=O)(=O)N(C)[C@@H](C)CC#N)[N@@H+]1CCc2ccccc2C1	ZINC000332669942	676743753	/nfs/dbraw/zinc/74/37/53/676743753.db2.gz	HNQWUGLZUGVSKO-MAUKXSAKSA-N	1	0	364.515	1.892	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N([C@@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)C1=O	ZINC000348578440	676786987	/nfs/dbraw/zinc/78/69/87/676786987.db2.gz	WKCOAHOEYZOJOR-HRCADAONSA-N	1	0	353.463	1.246	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2COC3(CCOCC3)O2)CC1	ZINC000360793225	676875707	/nfs/dbraw/zinc/87/57/07/676875707.db2.gz	NYDRAVDJUHRYTN-MRXNPFEDSA-N	1	0	353.463	1.248	20	30		FDEDRO
N#Cc1ccsc1NC(=O)CC[N@@H+]1CCCN(c2ncccn2)CC1	ZINC000361051377	676882391	/nfs/dbraw/zinc/88/23/91/676882391.db2.gz	JXQIYWSJSGRDQT-UHFFFAOYSA-N	1	0	356.455	1.951	20	30		FDEDRO
C[C@H](CO)[N@@H+]1CCCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000364954583	677340680	/nfs/dbraw/zinc/34/06/80/677340680.db2.gz	LAZHAPMCHGPLAA-CYBMUJFWSA-N	1	0	350.850	1.539	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1	ZINC000366317839	677432842	/nfs/dbraw/zinc/43/28/42/677432842.db2.gz	UGQVRKIYQFXNGS-RISCZKNCSA-N	1	0	370.272	1.693	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21	ZINC000366414458	677441703	/nfs/dbraw/zinc/44/17/03/677441703.db2.gz	IRIIEJBGTBTSKQ-LSDHHAIUSA-N	1	0	350.463	1.690	20	30		FDEDRO
COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1	ZINC000366424731	677442755	/nfs/dbraw/zinc/44/27/55/677442755.db2.gz	WBOXIWOJPMLMIH-IMJJTQAJSA-N	1	0	351.447	1.037	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@H]1CO	ZINC000366658593	677458245	/nfs/dbraw/zinc/45/82/45/677458245.db2.gz	XAKCBYYUONDAAZ-SJORKVTESA-N	1	0	363.483	1.477	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC([NH+]2C[C@H](C)C[C@@H](C)C2)CC1	ZINC000366970228	677476976	/nfs/dbraw/zinc/47/69/76/677476976.db2.gz	QUICLXWZGUCLQE-OAGGEKHMSA-N	1	0	356.536	1.907	20	30		FDEDRO
C[C@@H]1COCC[C@@H]1CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000367499398	677493033	/nfs/dbraw/zinc/49/30/33/677493033.db2.gz	CAOUIQXNEMGDDC-RBSFLKMASA-N	1	0	352.479	1.540	20	30		FDEDRO
O=S1(=O)CC[C@H]([NH2+]C2CCN(CC#Cc3ccc(F)cc3)CC2)C1	ZINC000368998552	677502685	/nfs/dbraw/zinc/50/26/85/677502685.db2.gz	AYGNQUALYXPACF-SFHVURJKSA-N	1	0	350.459	1.418	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccs2)CC1	ZINC000369757151	677514827	/nfs/dbraw/zinc/51/48/27/677514827.db2.gz	KEUUUPJJCUBCLA-CRAIPNDOSA-N	1	0	359.495	1.871	20	30		FDEDRO
COCCC[N@@H+]1CCCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1	ZINC000369905538	677526202	/nfs/dbraw/zinc/52/62/02/677526202.db2.gz	BSBVAHLGCFTEHH-UHFFFAOYSA-N	1	0	350.507	1.715	20	30		FDEDRO
COCCC[N@@H+]1CCCN(S(=O)(=O)c2cccc(C)c2C#N)CC1	ZINC000370997737	677636793	/nfs/dbraw/zinc/63/67/93/677636793.db2.gz	JSQUJQKKGMVJRQ-UHFFFAOYSA-N	1	0	351.472	1.600	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1CCCN(CC(=O)N(CC)CC)CC1)OCC	ZINC000371056802	677642862	/nfs/dbraw/zinc/64/28/62/677642862.db2.gz	XIPJGPLWUWARMX-KRWDZBQOSA-N	1	0	353.507	1.760	20	30		FDEDRO
CN(C(=O)CN1CCC[N@H+](CC(C)(C)O)CC1)C1(C#N)CCCCC1	ZINC000372551860	677935887	/nfs/dbraw/zinc/93/58/87/677935887.db2.gz	ITRFXOZMRBCCED-UHFFFAOYSA-N	1	0	350.507	1.450	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC3(C2)CC[NH2+]CC3)c1	ZINC000373150292	678037862	/nfs/dbraw/zinc/03/78/62/678037862.db2.gz	DTRXZKRCZRXYEX-UHFFFAOYSA-N	1	0	363.483	1.367	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1	ZINC000374454316	678081712	/nfs/dbraw/zinc/08/17/12/678081712.db2.gz	VLZXWCAHVOYJGZ-JFIYKMOQSA-N	1	0	364.515	1.823	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1	ZINC000374544029	678086488	/nfs/dbraw/zinc/08/64/88/678086488.db2.gz	PGDURTPDPPUBNQ-VNHYZAJKSA-N	1	0	356.517	1.809	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)CC1	ZINC000374655129	678089053	/nfs/dbraw/zinc/08/90/53/678089053.db2.gz	LRBSWVXANHCRKR-WBVHZDCISA-N	1	0	351.491	1.504	20	30		FDEDRO
N#Cc1ccc(S(N)(=O)=O)cc1NC[C@H]1CCC[C@H]1[NH+]1CCOCC1	ZINC000376219611	678246908	/nfs/dbraw/zinc/24/69/08/678246908.db2.gz	GCUJOSWXJMPUNZ-RHSMWYFYSA-N	1	0	364.471	1.118	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)NCc1cccc(C[N@H+](C)CC)c1	ZINC000409563848	678861010	/nfs/dbraw/zinc/86/10/10/678861010.db2.gz	ZNOHHSMBFCYQAQ-OAHLLOKOSA-N	1	0	352.504	1.954	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1	ZINC000410138155	678882872	/nfs/dbraw/zinc/88/28/72/678882872.db2.gz	CWSWSTJDGFACRC-IKGGRYGDSA-N	1	0	370.519	1.042	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N(CC[NH+](C)C)Cc1ccccn1	ZINC000410142926	678884491	/nfs/dbraw/zinc/88/44/91/678884491.db2.gz	NULNIHMRABOLGV-HNNXBMFYSA-N	1	0	353.492	1.172	20	30		FDEDRO
CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)[C@@H]([NH3+])CCCC#N)c1	ZINC000424064896	680828109	/nfs/dbraw/zinc/82/81/09/680828109.db2.gz	KJOIURIITFXMLF-AWEZNQCLSA-N	1	0	352.460	1.723	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000424080874	680828981	/nfs/dbraw/zinc/82/89/81/680828981.db2.gz	UCXHJJMXSJEQBA-MRXNPFEDSA-N	1	0	364.471	1.821	20	30		FDEDRO
COC(=O)[C@H]1CSCC[N@H+](CCOc2ccc(C#N)cc2OC)C1	ZINC000412078740	679151977	/nfs/dbraw/zinc/15/19/77/679151977.db2.gz	OMEFTINVNNHVAH-CQSZACIVSA-N	1	0	350.440	1.784	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCC[NH2+]C2)cc1	ZINC000414897559	679373292	/nfs/dbraw/zinc/37/32/92/679373292.db2.gz	ROJFUOZUVSFBHF-AWEZNQCLSA-N	1	0	366.487	1.614	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C[NH3+])C(C)(C)C)cc1	ZINC000414898681	679373369	/nfs/dbraw/zinc/37/33/69/679373369.db2.gz	SZWIVXZAZOHCOK-OAHLLOKOSA-N	1	0	368.503	1.988	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]([NH3+])C2)cc1	ZINC000414901837	679373640	/nfs/dbraw/zinc/37/36/40/679373640.db2.gz	XNZJOPIYRVBMAA-ZDUSSCGKSA-N	1	0	352.460	1.448	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC([NH3+])CC2)ccc1OC(F)(F)F	ZINC000415287637	679402495	/nfs/dbraw/zinc/40/24/95/679402495.db2.gz	UZGCVNNCIKSRMR-UHFFFAOYSA-N	1	0	356.304	1.345	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)ccc1Br	ZINC000415318803	679407725	/nfs/dbraw/zinc/40/77/25/679407725.db2.gz	RQJDVHYGJSNYSI-NSHDSACASA-N	1	0	351.204	1.127	20	30		FDEDRO
C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000415375449	679418126	/nfs/dbraw/zinc/41/81/26/679418126.db2.gz	LXQKJTWTDAGCJC-GFCCVEGCSA-N	1	0	354.332	1.726	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)ccc1OC(F)(F)F	ZINC000415534904	679446228	/nfs/dbraw/zinc/44/62/28/679446228.db2.gz	KOMWOLCVWXHSJI-LLVKDONJSA-N	1	0	356.304	1.249	20	30		FDEDRO
C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000415554536	679450417	/nfs/dbraw/zinc/45/04/17/679450417.db2.gz	HDXXWGLZSHMAHO-VHSXEESVSA-N	1	0	352.341	1.307	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NCC2([NH3+])CCC2)cc1Br	ZINC000415558108	679451215	/nfs/dbraw/zinc/45/12/15/679451215.db2.gz	ITLFVOKJSFLSTE-UHFFFAOYSA-N	1	0	351.204	1.257	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC[C@@H]2CCC[NH2+]C2)cc1	ZINC000415596665	679461434	/nfs/dbraw/zinc/46/14/34/679461434.db2.gz	IEXRLJRUEZPHOJ-KGLIPLIRSA-N	1	0	364.471	1.884	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@]2(C)CCC[NH2+]C2)cc1	ZINC000415603199	679462825	/nfs/dbraw/zinc/46/28/25/679462825.db2.gz	TWVUYZQPSRDATC-SUMWQHHRSA-N	1	0	364.471	1.884	20	30		FDEDRO
C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000415650871	679471675	/nfs/dbraw/zinc/47/16/75/679471675.db2.gz	FZTNGXDTEQFVOI-ZANVPECISA-N	1	0	365.231	1.516	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c(Cl)c1	ZINC000415758598	679493939	/nfs/dbraw/zinc/49/39/39/679493939.db2.gz	HRZRWPNLOCXJEQ-CQSZACIVSA-N	1	0	360.845	1.998	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1Cl	ZINC000415852386	679526482	/nfs/dbraw/zinc/52/64/82/679526482.db2.gz	JOFOVXYALZKABI-CHWSQXEVSA-N	1	0	360.845	1.998	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1[nH]c(=O)[nH]c(=O)c1OC)C(C)C	ZINC000416154787	679560254	/nfs/dbraw/zinc/56/02/54/679560254.db2.gz	BLMVZRSSHDZSGW-LBPRGKRZSA-N	1	0	350.419	1.325	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000416366362	679585579	/nfs/dbraw/zinc/58/55/79/679585579.db2.gz	CVOGAHNDWDUJSP-QLFBSQMISA-N	1	0	351.472	1.627	20	30		FDEDRO
CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1	ZINC000473523251	685305296	/nfs/dbraw/zinc/30/52/96/685305296.db2.gz	INZYCAJSLHWNAI-CQSZACIVSA-N	1	0	366.487	1.257	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCC[NH2+]C1CCCCCC1	ZINC000418818679	680129239	/nfs/dbraw/zinc/12/92/39/680129239.db2.gz	CABQWSWSZJKXML-NVXWUHKLSA-N	1	0	351.491	1.512	20	30		FDEDRO
[NH3+][C@@H]1CCCN(C(=O)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000419105645	680191126	/nfs/dbraw/zinc/19/11/26/680191126.db2.gz	BWUCSTOJTLVBKI-CQSZACIVSA-N	1	0	353.344	1.123	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)c1ccc(F)c(F)c1	ZINC000419679049	680318067	/nfs/dbraw/zinc/31/80/67/680318067.db2.gz	PBWKJVUKFOQTNF-LYRGGWFBSA-N	1	0	351.397	1.812	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C)c1ccc(F)c(F)c1	ZINC000419679051	680318129	/nfs/dbraw/zinc/31/81/29/680318129.db2.gz	PBWKJVUKFOQTNF-RLCCDNCMSA-N	1	0	351.397	1.812	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)c1ccc(F)c(F)c1	ZINC000419682972	680319557	/nfs/dbraw/zinc/31/95/57/680319557.db2.gz	UIYZXPFAZXKATA-LYRGGWFBSA-N	1	0	351.397	1.894	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C#N)c1Br	ZINC000419694176	680325157	/nfs/dbraw/zinc/32/51/57/680325157.db2.gz	IWSSVWOFJMODHT-LLVKDONJSA-N	1	0	365.231	1.470	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CS[C@@H](C)C1)C(C)C	ZINC000421740001	680674266	/nfs/dbraw/zinc/67/42/66/680674266.db2.gz	GKFIVJPQHQAYCY-ARFHVFGLSA-N	1	0	353.532	1.811	20	30		FDEDRO
CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)[C@H](C)CO	ZINC000428864641	681016206	/nfs/dbraw/zinc/01/62/06/681016206.db2.gz	UOBPIYMYPGFEDG-CYBMUJFWSA-N	1	0	350.463	1.654	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N(Cc1scnc1C)C[C@@H]1CC[NH2+]C1	ZINC000436053978	681659828	/nfs/dbraw/zinc/65/98/28/681659828.db2.gz	OXHSNJZODFZOCL-ZIAGYGMSSA-N	1	0	365.503	1.263	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC3(C2)CC[NH2+]CC3)c1	ZINC000440840881	682031433	/nfs/dbraw/zinc/03/14/33/682031433.db2.gz	HKYHTOKDYXBWMW-UHFFFAOYSA-N	1	0	363.483	1.367	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](CC(F)(F)F)C2)CC1	ZINC000444709533	682421586	/nfs/dbraw/zinc/42/15/86/682421586.db2.gz	SIIDGELNBUGHHC-HUUCEWRRSA-N	1	0	360.424	1.953	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCCC(C)(C)[C@H]2C#N)C1	ZINC000444718494	682422130	/nfs/dbraw/zinc/42/21/30/682422130.db2.gz	KSZNVNNBIKHSMZ-IAGOWNOFSA-N	1	0	350.507	1.474	20	30		FDEDRO
CCC[C@@]1(CO)CCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000444777500	682427683	/nfs/dbraw/zinc/42/76/83/682427683.db2.gz	POELKNUCPZRQLI-HKUYNNGSSA-N	1	0	350.507	1.306	20	30		FDEDRO
N#Cc1c(NC(=O)C[NH2+][C@@H](CO)[C@H]2CCCO2)sc2c1CCCCC2	ZINC000447916090	682578540	/nfs/dbraw/zinc/57/85/40/682578540.db2.gz	NZVPBRJRRJRNFL-LSDHHAIUSA-N	1	0	363.483	1.957	20	30		FDEDRO
C=CCCCNC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	ZINC000448385906	682611308	/nfs/dbraw/zinc/61/13/08/682611308.db2.gz	LUFPLKWKUJEVFG-UHFFFAOYSA-N	1	0	350.507	1.976	20	30		FDEDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc(Br)cc1C#N	ZINC000448951213	682651784	/nfs/dbraw/zinc/65/17/84/682651784.db2.gz	BLQGKPWBTYANSI-ZDUSSCGKSA-N	1	0	351.248	1.296	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c1	ZINC000449640538	682693317	/nfs/dbraw/zinc/69/33/17/682693317.db2.gz	SHUNISJMYRBVMA-ZFWWWQNUSA-N	1	0	351.472	1.398	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[NH2+]CC2(C)C)cc1	ZINC000449693401	682700423	/nfs/dbraw/zinc/70/04/23/682700423.db2.gz	DEJIWCYRXLCFAE-HNNXBMFYSA-N	1	0	351.472	1.269	20	30		FDEDRO
C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)Cc1ccc(C#N)s1	ZINC000449754592	682709574	/nfs/dbraw/zinc/70/95/74/682709574.db2.gz	MANUUPHOICZEHK-UHFFFAOYSA-N	1	0	369.443	1.917	20	30		FDEDRO
CC[NH+](CC)CCN(C(=O)c1cc(C#N)[nH]c1C)[C@@H]1CCS(=O)(=O)C1	ZINC000450377156	682756432	/nfs/dbraw/zinc/75/64/32/682756432.db2.gz	KPOOBRWXQKUPFY-OAHLLOKOSA-N	1	0	366.487	1.166	20	30		FDEDRO
CC[N@H+](CCO)CCNC(=O)COc1cccc(Br)c1C#N	ZINC000450686395	682773284	/nfs/dbraw/zinc/77/32/84/682773284.db2.gz	UOGQEXOBNDBGIP-UHFFFAOYSA-N	1	0	370.247	1.130	20	30		FDEDRO
CO[C@]1(C)C[C@H]([NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1(C)C	ZINC000451483027	682887085	/nfs/dbraw/zinc/88/70/85/682887085.db2.gz	DQDHLEAFNMHCNP-JTDSTZFVSA-N	1	0	350.507	1.472	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)COc1ccc(C(=O)OC)cc1OC	ZINC000451598355	682904612	/nfs/dbraw/zinc/90/46/12/682904612.db2.gz	KLUQFKYVTRHVSI-KFWWJZLASA-N	1	0	351.399	1.155	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@@H](CO)CC(C)(C)C)CC1	ZINC000451794747	682939708	/nfs/dbraw/zinc/93/97/08/682939708.db2.gz	YDVQXNHDLOUFSS-IAGOWNOFSA-N	1	0	352.523	1.408	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCNC(=O)c1cccc(C#N)c1Br	ZINC000451797837	682940614	/nfs/dbraw/zinc/94/06/14/682940614.db2.gz	RPAQBYXSFXXPCH-UHFFFAOYSA-N	1	0	367.291	1.934	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CCCO)cc1Cl	ZINC000452786747	683119089	/nfs/dbraw/zinc/11/90/89/683119089.db2.gz	WRHPTFMGHWYABT-CQSZACIVSA-N	1	0	364.833	1.113	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1)C[NH+]1CCCCC1	ZINC000453613873	683169798	/nfs/dbraw/zinc/16/97/98/683169798.db2.gz	CCRYXQGJCOOCLW-LBPRGKRZSA-N	1	0	363.849	1.783	20	30		FDEDRO
CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000453752770	683205684	/nfs/dbraw/zinc/20/56/84/683205684.db2.gz	PRLHPNBWLPTSLK-NSHDSACASA-N	1	0	351.838	1.782	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CCCO)c(Cl)c1	ZINC000453805953	683217827	/nfs/dbraw/zinc/21/78/27/683217827.db2.gz	MRMCYIJQACTJQA-CYBMUJFWSA-N	1	0	364.833	1.113	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC(C)(C)C[NH+]2CCCC2)c1	ZINC000457042950	683710983	/nfs/dbraw/zinc/71/09/83/683710983.db2.gz	WLCLMFWGQBQZGB-UHFFFAOYSA-N	1	0	365.499	1.755	20	30		FDEDRO
C[NH+](C)CC(C)(C)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1	ZINC000457202467	683732031	/nfs/dbraw/zinc/73/20/31/683732031.db2.gz	HSUPKNRMAPCGQL-UHFFFAOYSA-N	1	0	351.472	1.834	20	30		FDEDRO
C=C(C)CN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1	ZINC000460060537	684514474	/nfs/dbraw/zinc/51/44/74/684514474.db2.gz	NUBHGTGIKTUUBF-UHFFFAOYSA-N	1	0	353.413	1.890	20	30		FDEDRO
COCC[C@H](C)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000463692217	684702959	/nfs/dbraw/zinc/70/29/59/684702959.db2.gz	WHWSCXMMWQXUFE-HNNXBMFYSA-N	1	0	353.488	1.677	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1	ZINC000464195075	684727402	/nfs/dbraw/zinc/72/74/02/684727402.db2.gz	OZWMIMYWUKBQIA-TZMCWYRMSA-N	1	0	355.485	1.233	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)NC(C)C)c[nH]2)CC1	ZINC000468967555	684939868	/nfs/dbraw/zinc/93/98/68/684939868.db2.gz	PAWPFSVGYYAZBV-UHFFFAOYSA-N	1	0	354.476	1.082	20	30		FDEDRO
C=CCOCCC[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1	ZINC000470777301	685069043	/nfs/dbraw/zinc/06/90/43/685069043.db2.gz	TZSCJPRGRCRJIU-UHFFFAOYSA-N	1	0	358.426	1.867	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1	ZINC000472600027	685226004	/nfs/dbraw/zinc/22/60/04/685226004.db2.gz	KDCOJOAWMBMXER-UHFFFAOYSA-N	1	0	350.350	1.439	20	30		FDEDRO
Cc1cc(CS(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)on1	ZINC000485884862	686792300	/nfs/dbraw/zinc/79/23/00/686792300.db2.gz	WKRZZIJJORUDCG-UHFFFAOYSA-N	1	0	362.455	1.748	20	30		FDEDRO
C[C@H](CNS(=O)(=O)c1cc(Br)cc(C#N)c1)C[NH+](C)C	ZINC000490050710	687128938	/nfs/dbraw/zinc/12/89/38/687128938.db2.gz	RMHPKMPEZYROMP-SNVBAGLBSA-N	1	0	360.277	1.797	20	30		FDEDRO
C=CC[C@@H](CO)C[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000493600073	687436490	/nfs/dbraw/zinc/43/64/90/687436490.db2.gz	AJBMGFAVTKZQSP-OAHLLOKOSA-N	1	0	368.499	1.623	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1	ZINC000496284265	687646610	/nfs/dbraw/zinc/64/66/10/687646610.db2.gz	NOWJKZWMJMCLTK-KRWDZBQOSA-N	1	0	351.491	1.561	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)[N@H+](CC)C[C@H]2C)cc1	ZINC000498568540	687814760	/nfs/dbraw/zinc/81/47/60/687814760.db2.gz	VDXBCXPGOWRUHY-HUUCEWRRSA-N	1	0	365.499	1.706	20	30		FDEDRO
N#CC1(F)CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1	ZINC000500128851	688042150	/nfs/dbraw/zinc/04/21/50/688042150.db2.gz	CWNJDXFKDCDDRD-HZPDHXFCSA-N	1	0	352.454	1.792	20	30		FDEDRO
CCC[C@@H]1CN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC[N@@H+]1CCOC	ZINC000501806554	688216148	/nfs/dbraw/zinc/21/61/48/688216148.db2.gz	RYONPXXVEGOGEP-LMMKCTJWSA-N	1	0	352.523	1.862	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C(C)(C)C(=O)OCC)CC1	ZINC000510127171	689349299	/nfs/dbraw/zinc/34/92/99/689349299.db2.gz	KGCDESHMCMYHHG-ZDUSSCGKSA-N	1	0	353.463	1.688	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@@H]1CCC[C@H]1O	ZINC000511609921	689541265	/nfs/dbraw/zinc/54/12/65/689541265.db2.gz	KDKCTSVNPXUDSD-OWCLPIDISA-N	1	0	362.499	1.302	20	30		FDEDRO
C=C(C)CN1CCC([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000514825228	689772777	/nfs/dbraw/zinc/77/27/77/689772777.db2.gz	NQZGVFYMRXRYLZ-UHFFFAOYSA-N	1	0	367.471	1.999	20	30		FDEDRO
CC1(C)CC(NCCS(=O)(=O)c2ccc(C#N)cn2)CC(C)(C)[NH2+]1	ZINC000515090019	689814427	/nfs/dbraw/zinc/81/44/27/689814427.db2.gz	KUDUIJXPUHFVGT-UHFFFAOYSA-N	1	0	350.488	1.626	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCc2ncc(CC)s2)CC1	ZINC000515240393	689832243	/nfs/dbraw/zinc/83/22/43/689832243.db2.gz	FRQZFAPSSVRWRO-UHFFFAOYSA-N	1	0	364.515	1.521	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000516541383	689961810	/nfs/dbraw/zinc/96/18/10/689961810.db2.gz	MXDHUFAWPHWQPR-QGTPRVQTSA-N	1	0	366.483	1.702	20	30		FDEDRO
C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000517038216	690027573	/nfs/dbraw/zinc/02/75/73/690027573.db2.gz	OJZKBRMBGQZZBI-MWLCHTKSSA-N	1	0	358.261	1.821	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000517776963	690095550	/nfs/dbraw/zinc/09/55/50/690095550.db2.gz	VBIHAYAIUWBLEM-IAGOWNOFSA-N	1	0	351.491	1.295	20	30		FDEDRO
C[NH+](C)CCNS(=O)(=O)c1ccc(NCC2(C#N)CC2)c([N+](=O)[O-])c1	ZINC000519511085	690213724	/nfs/dbraw/zinc/21/37/24/690213724.db2.gz	LUPHRLSDOMXQAB-UHFFFAOYSA-N	1	0	367.431	1.150	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CCN(S(C)(=O)=O)CC1	ZINC000639784511	695498954	/nfs/dbraw/zinc/49/89/54/695498954.db2.gz	NLLGLZDGCUCFGD-ZBFHGGJFSA-N	1	0	357.520	1.251	20	30		FDEDRO
C=CCCCCCNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000641830223	696227259	/nfs/dbraw/zinc/22/72/59/696227259.db2.gz	AWGNOOPTADZNIU-GOSISDBHSA-N	1	0	352.523	1.829	20	30		FDEDRO
COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CCN2CC[NH2+]C[C@H]2C1	ZINC001164399253	718836607	/nfs/dbraw/zinc/83/66/07/718836607.db2.gz	RBASSKRQKOCTSH-INIZCTEOSA-N	1	0	372.545	1.191	20	30		FDEDRO
CCOC(=O)C1CC[NH+](C2CCN(c3cc(C#N)nc(C)n3)CC2)CC1	ZINC001164617146	719035380	/nfs/dbraw/zinc/03/53/80/719035380.db2.gz	HWBYPGVQSAYBSP-UHFFFAOYSA-N	1	0	357.458	1.901	20	30		FDEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)c(C#N)cc1C#N)CC2	ZINC001164686666	719718063	/nfs/dbraw/zinc/71/80/63/719718063.db2.gz	QPSHGKLRZUJBCA-UHFFFAOYSA-N	1	0	372.860	1.659	20	30		FDEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)nc(C)c1C#N)CC2	ZINC001164685475	719720970	/nfs/dbraw/zinc/72/09/70/719720970.db2.gz	LLAWNPYILAIVJB-UHFFFAOYSA-N	1	0	362.865	1.491	20	30		FDEDRO
Cc1nc(C#N)cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1	ZINC001164821785	720353547	/nfs/dbraw/zinc/35/35/47/720353547.db2.gz	BWSIOQLYKIHOJZ-ROUUACIJSA-N	1	0	368.485	1.568	20	30		FDEDRO
Cc1nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)ccc1CC#N	ZINC001164739023	720772004	/nfs/dbraw/zinc/77/20/04/720772004.db2.gz	HQGJXOMOIICMHA-IAGOWNOFSA-N	1	0	350.426	1.588	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)c(F)cc3C#N)CC[C@@H]2C1	ZINC001164850858	720832914	/nfs/dbraw/zinc/83/29/14/720832914.db2.gz	VLLZFSYJEZESOS-DOMZBBRYSA-N	1	0	368.840	1.919	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3ncnc(Cl)c3C#N)CC[C@H]2C1	ZINC001164854327	720842358	/nfs/dbraw/zinc/84/23/58/720842358.db2.gz	REXONIMQLGMLIJ-JSGCOSHPSA-N	1	0	351.838	1.175	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3cc(Cl)cc(C#N)n3)CC[C@@H]2C1	ZINC001164851871	720849759	/nfs/dbraw/zinc/84/97/59/720849759.db2.gz	IJCRTXBUXPVOJL-CJNGLKHVSA-N	1	0	350.850	1.780	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3ncc([N+](=O)[O-])cc3C#N)CC[C@@H]2C1	ZINC001164854715	720850423	/nfs/dbraw/zinc/85/04/23/720850423.db2.gz	RKUZMGHVRRUVOE-CJNGLKHVSA-N	1	0	361.402	1.035	20	30		FDEDRO
Cc1cc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)ncc1C#N	ZINC001164750656	720952501	/nfs/dbraw/zinc/95/25/01/720952501.db2.gz	MHHZNRHYPIVRAH-UHFFFAOYSA-N	1	0	354.414	1.104	20	30		FDEDRO
Cc1cc(C#N)cc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)n1	ZINC001164753461	720967984	/nfs/dbraw/zinc/96/79/84/720967984.db2.gz	GAAOQULQNQAGFN-UHFFFAOYSA-N	1	0	354.414	1.104	20	30		FDEDRO
Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5[nH]cc(C#N)c54)C[C@@H]3C2)cn1	ZINC001164764447	721071789	/nfs/dbraw/zinc/07/17/89/721071789.db2.gz	HQOGSVFGFZRUOT-HOCLYGCPSA-N	1	0	362.441	1.521	20	30		FDEDRO
CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cncc(C#N)n4)C3)O2)CC1	ZINC001164889938	721392634	/nfs/dbraw/zinc/39/26/34/721392634.db2.gz	NAMWWLPMUJLBFY-IEBWSBKVSA-N	1	0	356.474	1.114	20	30		FDEDRO
N#Cc1ncc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1C#N	ZINC001164904275	721557853	/nfs/dbraw/zinc/55/78/53/721557853.db2.gz	DRXGCRNILFQDOR-ZBFHGGJFSA-N	1	0	364.384	1.701	20	30		FDEDRO
CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ccc(C2(C#N)CCOCC2)cn1	ZINC001164927079	721876061	/nfs/dbraw/zinc/87/60/61/721876061.db2.gz	UNKXFDVYAIREGC-OALUTQOASA-N	1	0	369.513	1.868	20	30		FDEDRO
Cc1nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)cnc1C#N	ZINC001165002883	722255532	/nfs/dbraw/zinc/25/55/32/722255532.db2.gz	VYAVVHGYJQDKCR-UHFFFAOYSA-N	1	0	355.446	1.342	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(Cn4cccn4)on3)[C@H]2C1	ZINC001083242644	782285680	/nfs/dbraw/zinc/28/56/80/782285680.db2.gz	REXOBMHIJWPVKA-DLBZAZTESA-N	1	0	357.414	1.021	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1	ZINC000684789655	782295008	/nfs/dbraw/zinc/29/50/08/782295008.db2.gz	VOSONPKFKDPAKM-CJNGLKHVSA-N	1	0	355.398	1.303	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[N@@H+](C)C[C@H]2CC)c1	ZINC000684821600	782517847	/nfs/dbraw/zinc/51/78/47/782517847.db2.gz	VYYLQAVTOCKIRO-MRXNPFEDSA-N	1	0	365.499	1.707	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)C[N@H+]4CCC[C@H]4C)[C@@H]3C2)cc1	ZINC001022717887	782573101	/nfs/dbraw/zinc/57/31/01/782573101.db2.gz	NUSCUFSRSUQHRC-LSTHTHJFSA-N	1	0	365.477	1.825	20	30		FDEDRO
COC(=O)COc1ccc([C@@H](C)[NH2+]CC(=O)N(CCC#N)CCC#N)cc1	ZINC000274493777	768819645	/nfs/dbraw/zinc/81/96/45/768819645.db2.gz	SXQPQIOEDNWVKD-OAHLLOKOSA-N	1	0	372.425	1.545	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000949245080	769028250	/nfs/dbraw/zinc/02/82/50/769028250.db2.gz	ISWOBZOCIBFZEP-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@H]1C	ZINC001020427988	769442149	/nfs/dbraw/zinc/44/21/49/769442149.db2.gz	CKMOYLSCKOXUTD-NBMRYCAZSA-N	1	0	368.437	1.645	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)[C@@H]2C)cc1	ZINC001020449973	769790488	/nfs/dbraw/zinc/79/04/88/769790488.db2.gz	QBPZISSKBUFIFH-LIRZEXBASA-N	1	0	362.433	1.914	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]2C)CCCC1	ZINC001211495466	769876429	/nfs/dbraw/zinc/87/64/29/769876429.db2.gz	NKRGAQZUSJTQIN-HUUCEWRRSA-N	1	0	362.474	1.111	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CCC(C)C)NC(C)=O)C1	ZINC001211495669	769878845	/nfs/dbraw/zinc/87/88/45/769878845.db2.gz	SHGQTABDVWEUOT-KBAYOESNSA-N	1	0	351.491	1.014	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(F)c[nH]1)C2	ZINC001112475521	769909295	/nfs/dbraw/zinc/90/92/95/769909295.db2.gz	JVELLRFPTKPTDE-NJSLBKSFSA-N	1	0	362.449	1.676	20	30		FDEDRO
C=C(C)CN1C[C@H]2OCCN(C(=O)c3cccc(-n4cncn4)c3)[C@H]2C1	ZINC001083188421	769982942	/nfs/dbraw/zinc/98/29/42/769982942.db2.gz	UPBNHGUMIGMODS-ZWKOTPCHSA-N	1	0	353.426	1.369	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccnc(-n4cccn4)c3)[C@H]2C1	ZINC001083188576	769986519	/nfs/dbraw/zinc/98/65/19/769986519.db2.gz	BXFLOJRDPOODMC-DLBZAZTESA-N	1	0	353.426	1.369	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)C1	ZINC001022737093	782800115	/nfs/dbraw/zinc/80/01/15/782800115.db2.gz	OEWIQCVCCHAUPX-TWMKSMIVSA-N	1	0	358.438	1.786	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4cccn4)n3)[C@H]2C1	ZINC001083190579	770245506	/nfs/dbraw/zinc/24/55/06/770245506.db2.gz	QWJKPLCEQNSQIN-ZWKOTPCHSA-N	1	0	367.453	1.759	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1	ZINC000655246391	770393783	/nfs/dbraw/zinc/39/37/83/770393783.db2.gz	CJLNMRMGEDSOOM-OTVXOJSOSA-N	1	0	351.472	1.221	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@H]2C[NH+]2CCCC2)CC1	ZINC000246185731	771093108	/nfs/dbraw/zinc/09/31/08/771093108.db2.gz	WQLXCQMPAQKVTK-RBUKOAKNSA-N	1	0	361.534	1.239	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(CN4CCCC4)on3)[C@H]2C1	ZINC001083193889	771227938	/nfs/dbraw/zinc/22/79/38/771227938.db2.gz	MDJGGCRTZPJONK-ZWKOTPCHSA-N	1	0	360.458	1.372	20	30		FDEDRO
N#CCOc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)cc1	ZINC000970038352	771239941	/nfs/dbraw/zinc/23/99/41/771239941.db2.gz	PMHLMLAMACFHOU-OWYHZJEWSA-N	1	0	355.438	1.847	20	30		FDEDRO
Cn1cc([C@@H]2C[C@H]2C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)cc3F)C2)cn1	ZINC001022747296	782907989	/nfs/dbraw/zinc/90/79/89/782907989.db2.gz	APSXPFCNHFGERC-XWTMOSNGSA-N	1	0	367.428	1.971	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(C3CC3)nn2C)C1	ZINC001020726118	771303213	/nfs/dbraw/zinc/30/32/13/771303213.db2.gz	AEXWNYWCFARXKI-JKQORVJESA-N	1	0	359.474	1.411	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)C1	ZINC001020726374	771304223	/nfs/dbraw/zinc/30/42/23/771304223.db2.gz	HXGUGRXSZYFHJG-XWJBARJFSA-N	1	0	361.486	1.358	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccn(C(F)F)n2)C[C@H]1C	ZINC001104238721	771572228	/nfs/dbraw/zinc/57/22/28/771572228.db2.gz	OHJQHVUXXBLBTF-CHWSQXEVSA-N	1	0	369.416	1.268	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1	ZINC000430390639	771742674	/nfs/dbraw/zinc/74/26/74/771742674.db2.gz	DSLUQFPAMQNNMC-KSZLIROESA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CCCn1cc(C[NH2+]C[C@@H]2CCn3ncc(C(=O)NC(C)C)c3C2)nn1	ZINC000657448370	782958430	/nfs/dbraw/zinc/95/84/30/782958430.db2.gz	YLKCIFCBNBYOBG-OAHLLOKOSA-N	1	0	371.489	1.541	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCc3cccs3)C[C@@H]21	ZINC001083198456	771807527	/nfs/dbraw/zinc/80/75/27/771807527.db2.gz	WAAZLZZCKZYFDF-VSZNYVQBSA-N	1	0	362.495	1.793	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)NC(C)(C)C)CC1	ZINC001167273846	771848144	/nfs/dbraw/zinc/84/81/44/771848144.db2.gz	FCXDEISGYIFOCB-CABCVRRESA-N	1	0	351.491	1.368	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cc(C)on2)C1=O	ZINC001087117099	772218683	/nfs/dbraw/zinc/21/86/83/772218683.db2.gz	BFAYMGOBZKMRRO-KBMXLJTQSA-N	1	0	360.458	1.600	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H](C)SC)[C@@H]3C2)CC1	ZINC001021143458	772259207	/nfs/dbraw/zinc/25/92/07/772259207.db2.gz	UFDGOUIMOBMBEW-HYVNUMGLSA-N	1	0	363.527	1.142	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)CC2)C1	ZINC001039163345	772353885	/nfs/dbraw/zinc/35/38/85/772353885.db2.gz	ATJZTVSUPOOOLG-OKZBNKHCSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C[C@@H]2O)C1	ZINC000970377008	772488625	/nfs/dbraw/zinc/48/86/25/772488625.db2.gz	DTVNBEYVFNZIQZ-IKGGRYGDSA-N	1	0	363.502	1.151	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)N2C(=O)CCC2=O)C[C@H]1C	ZINC001104262967	772554485	/nfs/dbraw/zinc/55/44/85/772554485.db2.gz	WEXKQNKYOUFCEC-MRVWCRGKSA-N	1	0	355.866	1.351	20	30		FDEDRO
C[C@@H](NC(=O)[C@H]1OCC[C@H]1C)C1C[NH+](Cc2ccc(OCC#N)cc2)C1	ZINC000970439058	772639309	/nfs/dbraw/zinc/63/93/09/772639309.db2.gz	DYLCOSZPYKOSEV-CLCXKQKWSA-N	1	0	357.454	1.950	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)C2(COC)CCCC2)C[C@H]1C	ZINC001104268160	772643863	/nfs/dbraw/zinc/64/38/63/772643863.db2.gz	XECXFGDMHQAKAG-QZTJIDSGSA-N	1	0	350.503	1.917	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1C#N	ZINC000890986914	772651943	/nfs/dbraw/zinc/65/19/43/772651943.db2.gz	NIDUCAMURMZKNS-OAHLLOKOSA-N	1	0	363.421	1.938	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)/C=C\C4CC4)[C@@H]3C2)CC1	ZINC001021296952	772795645	/nfs/dbraw/zinc/79/56/45/772795645.db2.gz	WOUKHMAKJKKKGX-ZYHOBAKYSA-N	1	0	355.482	1.357	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)/C=C/C4CC4)[C@@H]3C2)CC1	ZINC001021296951	772795801	/nfs/dbraw/zinc/79/58/01/772795801.db2.gz	WOUKHMAKJKKKGX-OBNUAKFSSA-N	1	0	355.482	1.357	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3nc(C)nn3C1)C2	ZINC001112486353	772966782	/nfs/dbraw/zinc/96/67/82/772966782.db2.gz	NPUXRZWJVVQOJN-UWVAXJGDSA-N	1	0	355.486	1.391	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1	ZINC000970656713	773202668	/nfs/dbraw/zinc/20/26/68/773202668.db2.gz	WYZHVRWMRNMUJN-VCBZYWHSSA-N	1	0	351.491	1.009	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1	ZINC001021429142	773311610	/nfs/dbraw/zinc/31/16/10/773311610.db2.gz	GPAPWZLKJMTRAT-BMGDILEWSA-N	1	0	369.469	1.434	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N2C[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)CC1	ZINC001021429820	773315609	/nfs/dbraw/zinc/31/56/09/773315609.db2.gz	RWKZYLLVVLYXPS-MAUKXSAKSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1	ZINC000656066954	773504332	/nfs/dbraw/zinc/50/43/32/773504332.db2.gz	KEYPFXKCAHHJLY-CALCHBBNSA-N	1	0	359.470	1.666	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000656075204	773560959	/nfs/dbraw/zinc/56/09/59/773560959.db2.gz	DPHKTXFMCSEDAH-QGZVFWFLSA-N	1	0	351.491	1.420	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)Cn2cc(C3CC3)nn2)C[C@H]1C	ZINC001104290047	773664424	/nfs/dbraw/zinc/66/44/24/773664424.db2.gz	YQOKPMOMLSXAMX-NVXWUHKLSA-N	1	0	361.490	1.432	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1COCCN1CC(F)F)C2	ZINC001112492974	773737317	/nfs/dbraw/zinc/73/73/17/773737317.db2.gz	LQHSEDVXMAXQLH-FCEWJHQRSA-N	1	0	369.456	1.194	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2COCCO2)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087124496	773933549	/nfs/dbraw/zinc/93/35/49/773933549.db2.gz	CVMIDKSWOQMYPM-MNEFBYGVSA-N	1	0	357.454	1.690	20	30		FDEDRO
C[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)n1cnc(C#N)n1	ZINC000891246662	774089310	/nfs/dbraw/zinc/08/93/10/774089310.db2.gz	DJLPFVRTIJLIOL-XJKSGUPXSA-N	1	0	355.446	1.196	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccn(CC)n2)C1	ZINC001104306002	774437618	/nfs/dbraw/zinc/43/76/18/774437618.db2.gz	FODKJQURUCRVCG-GGPKGHCWSA-N	1	0	371.529	1.575	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)OCCO2	ZINC000275953165	774744774	/nfs/dbraw/zinc/74/47/74/774744774.db2.gz	ZAKKEUAWIHNPAF-UHFFFAOYSA-N	1	0	360.414	1.090	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1	ZINC001104316201	774745469	/nfs/dbraw/zinc/74/54/69/774745469.db2.gz	NLUDZFXANJSAOX-RHSMWYFYSA-N	1	0	356.470	1.644	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1	ZINC000177846252	774947228	/nfs/dbraw/zinc/94/72/28/774947228.db2.gz	NHEBHBBBVKHZMZ-UHFFFAOYSA-N	1	0	374.416	1.657	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1	ZINC000892275424	783230272	/nfs/dbraw/zinc/23/02/72/783230272.db2.gz	ZUBOWEKSGPYWKH-KRWDZBQOSA-N	1	0	357.433	1.814	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(OCC#N)c2)[C@H](C)C1	ZINC000276053469	775550615	/nfs/dbraw/zinc/55/06/15/775550615.db2.gz	MZZCZLVHDZYYCH-RHSMWYFYSA-N	1	0	358.442	1.716	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1	ZINC000430556686	775924929	/nfs/dbraw/zinc/92/49/29/775924929.db2.gz	ZFVATTCGDZUQHB-AEFFLSMTSA-N	1	0	363.502	1.561	20	30		FDEDRO
C[C@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1)c1ccncc1	ZINC001104347009	776068111	/nfs/dbraw/zinc/06/81/11/776068111.db2.gz	PUFOCXOPIKRMFV-JFIYKMOQSA-N	1	0	371.485	1.289	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCOC)C[C@H]1c1ccccc1	ZINC001211513267	776168360	/nfs/dbraw/zinc/16/83/60/776168360.db2.gz	MNYNTIJHJZFTQY-BPQIPLTHSA-N	1	0	359.470	1.298	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C4(C(C)C)CC4)C[C@H]32)CC1	ZINC001021886637	776501772	/nfs/dbraw/zinc/50/17/72/776501772.db2.gz	JVCQCSSXIBVZLL-RBUKOAKNSA-N	1	0	371.525	1.827	20	30		FDEDRO
C[N@H+](CC(=O)N1CC[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21)C1CCC1	ZINC001021939516	776750551	/nfs/dbraw/zinc/75/05/51/776750551.db2.gz	NEVDLOQZNOUKMM-SUMWQHHRSA-N	1	0	355.442	1.044	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21	ZINC001021939963	776751889	/nfs/dbraw/zinc/75/18/89/776751889.db2.gz	UGDISBYVWJXILU-PKOBYXMFSA-N	1	0	370.497	1.689	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1	ZINC000276220391	776904152	/nfs/dbraw/zinc/90/41/52/776904152.db2.gz	XBFYTVDHCRYPSC-KGLIPLIRSA-N	1	0	356.426	1.683	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2cnnn2C)C1	ZINC001075420954	777055532	/nfs/dbraw/zinc/05/55/32/777055532.db2.gz	CKNLWUMMLWSWOR-SJLPKXTDSA-N	1	0	369.444	1.813	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cc(=O)n(C)o2)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087156472	777072049	/nfs/dbraw/zinc/07/20/49/777072049.db2.gz	JWVVIPYSCKFDIA-PBHICJAKSA-N	1	0	368.437	1.880	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H](F)c2ccccc2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104735640	790521791	/nfs/dbraw/zinc/52/17/91/790521791.db2.gz	UOQDJVGRWIWNPQ-KYJSFNMBSA-N	1	0	360.433	1.411	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCC(C)(F)F)C[C@H]1C	ZINC001104361432	777317563	/nfs/dbraw/zinc/31/75/63/777317563.db2.gz	HDIHYIZABLTGBN-QLFBSQMISA-N	1	0	357.445	1.634	20	30		FDEDRO
CCc1cccc(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)c1	ZINC001104363060	777483215	/nfs/dbraw/zinc/48/32/15/777483215.db2.gz	XLMOMXGDSLTONM-VQIMIIECSA-N	1	0	370.497	1.505	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(COCC)CC2)C[C@H]1C	ZINC001104363883	777490767	/nfs/dbraw/zinc/49/07/67/777490767.db2.gz	MHVLAVDNLAOOCS-BRWVUGGUSA-N	1	0	363.502	1.015	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cnnn2C)[C@H](C[NH2+]Cc2cc(F)ccc2C#N)C1	ZINC001087159942	777605178	/nfs/dbraw/zinc/60/51/78/777605178.db2.gz	OAMJKDCLSHFSRV-DYVFJYSZSA-N	1	0	370.432	1.856	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)CN1CCCC[C@@H]1COC(=O)NC(C)C	ZINC000796711885	777723811	/nfs/dbraw/zinc/72/38/11/777723811.db2.gz	VQTQSZYUNNQYEQ-JKSUJKDBSA-N	1	0	352.479	1.984	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)C[C@H]1C	ZINC001104365524	777763181	/nfs/dbraw/zinc/76/31/81/777763181.db2.gz	OBLLCJOXIGDFJL-BZUAXINKSA-N	1	0	361.490	1.587	20	30		FDEDRO
N#CCN1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1	ZINC001075423082	777831225	/nfs/dbraw/zinc/83/12/25/777831225.db2.gz	HUXAXNRECOXDDR-IEBWSBKVSA-N	1	0	370.472	1.967	20	30		FDEDRO
O=C(NCc1cn2c(n1)CCCC2)N1CCC(C[NH+]2CCOCC2)CC1	ZINC000328809320	777844114	/nfs/dbraw/zinc/84/41/14/777844114.db2.gz	DXTJAEPLMHQDEO-UHFFFAOYSA-N	1	0	361.490	1.678	20	30		FDEDRO
CC(C)[NH+]1CCN(C2CCN(C(=O)N[C@H]3CCC(=O)N(C)C3)CC2)CC1	ZINC000328817317	778158790	/nfs/dbraw/zinc/15/87/90/778158790.db2.gz	DAWWBUQJGDSVEW-INIZCTEOSA-N	1	0	365.522	1.012	20	30		FDEDRO
N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2CCCCC2)C[C@H]1c1ccccc1	ZINC001211519638	778423758	/nfs/dbraw/zinc/42/37/58/778423758.db2.gz	XZRAOSACWYKSKH-RBUKOAKNSA-N	1	0	368.481	1.791	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)C(=O)Nc2cccc(C[NH+](CC)CC)c2)C1	ZINC000891607415	778505821	/nfs/dbraw/zinc/50/58/21/778505821.db2.gz	MSUNNNZNAPUBNK-LJQANCHMSA-N	1	0	370.497	1.681	20	30		FDEDRO
C[C@@H]1CCN(C(=O)Cn2ncnn2)[C@H](C[NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC001087166956	778637340	/nfs/dbraw/zinc/63/73/40/778637340.db2.gz	LOKZNHHWNKVYDK-CJNGLKHVSA-N	1	0	371.420	1.101	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)C1	ZINC000971718152	778835265	/nfs/dbraw/zinc/83/52/65/778835265.db2.gz	AEVHSQBSGPLPOZ-NVXWUHKLSA-N	1	0	369.469	1.291	20	30		FDEDRO
CC[N@H+](CCC1CCN(C(=O)NCCn2cnc(C#N)n2)CC1)CC1CC1	ZINC000510492354	778928143	/nfs/dbraw/zinc/92/81/43/778928143.db2.gz	QOVGZXBKTXOLDG-UHFFFAOYSA-N	1	0	373.505	1.693	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2c[nH]nc2CC)C[C@H]1C	ZINC001104379064	779102464	/nfs/dbraw/zinc/10/24/64/779102464.db2.gz	WFODITFRUSYARK-QLFBSQMISA-N	1	0	361.490	1.351	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)C4([NH+](C)C)CCC4)C[C@H]32)nc1	ZINC001022294550	779197333	/nfs/dbraw/zinc/19/73/33/779197333.db2.gz	LMWIEEOFFOKQSX-FUHWJXTLSA-N	1	0	366.465	1.220	20	30		FDEDRO
C#CCN(C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1	ZINC000891748025	779251316	/nfs/dbraw/zinc/25/13/16/779251316.db2.gz	MPSSYYVALSIZNV-ZNMIVQPWSA-N	1	0	356.488	1.412	20	30		FDEDRO
CC(C)[C@H](CNC(=O)NCC#C[C@H]1CCCCO1)[NH+]1CCN(C)CC1	ZINC000891753694	779264451	/nfs/dbraw/zinc/26/44/51/779264451.db2.gz	FCOREIZFPBFSHZ-MSOLQXFVSA-N	1	0	350.507	1.130	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)C2=O)cc1	ZINC000891766592	779314397	/nfs/dbraw/zinc/31/43/97/779314397.db2.gz	ZTFPRHWATQUGOR-UXLLHSPISA-N	1	0	353.426	1.199	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)[N@H+](C)C1	ZINC000328959906	779550768	/nfs/dbraw/zinc/55/07/68/779550768.db2.gz	QDYATOJZHKPNPQ-JYJNAYRXSA-N	1	0	360.458	1.936	20	30		FDEDRO
C[N@@H+](Cc1cc(C#N)cs1)C[C@@H](O)CN1C(=O)c2ccccc2C1=O	ZINC000933772643	779619066	/nfs/dbraw/zinc/61/90/66/779619066.db2.gz	SBAFMDLJYJVGBX-CYBMUJFWSA-N	1	0	355.419	1.709	20	30		FDEDRO
COC(=O)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[nH]1	ZINC000276820434	779739751	/nfs/dbraw/zinc/73/97/51/779739751.db2.gz	ANHQKDARCZVXTN-MRXNPFEDSA-N	1	0	352.394	1.564	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087178841	779825226	/nfs/dbraw/zinc/82/52/26/779825226.db2.gz	SOVXGUXYCHFAIW-AYOQOUSVSA-N	1	0	368.481	1.944	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1	ZINC000971848456	779966660	/nfs/dbraw/zinc/96/66/60/779966660.db2.gz	XACODWWCVXQOTK-CKEIUWERSA-N	1	0	355.442	1.044	20	30		FDEDRO
N#CCOc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc1	ZINC001022452483	780308672	/nfs/dbraw/zinc/30/86/72/780308672.db2.gz	MXWUYROZPMWDKH-KLOPSHJNSA-N	1	0	367.449	1.749	20	30		FDEDRO
N#CCC1(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CC1	ZINC000431200576	780392303	/nfs/dbraw/zinc/39/23/03/780392303.db2.gz	ZXOKRHRPYGTCLH-ROUUACIJSA-N	1	0	356.470	1.862	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)C1	ZINC000971875293	780395580	/nfs/dbraw/zinc/39/55/80/780395580.db2.gz	UNVJPFOBIZYMDT-RHSMWYFYSA-N	1	0	369.469	1.291	20	30		FDEDRO
N#CC1(F)CCN(CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)CC1	ZINC000510944859	780405699	/nfs/dbraw/zinc/40/56/99/780405699.db2.gz	HMEBCMJJNCLQHI-UHFFFAOYSA-N	1	0	373.432	1.690	20	30		FDEDRO
CO[C@@H]1CCOC[C@H]1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000934040878	780638576	/nfs/dbraw/zinc/63/85/76/780638576.db2.gz	RMKKZEDGGDZZDE-HZPDHXFCSA-N	1	0	370.371	1.567	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4nnc(C)n4C3)[C@H]2C1	ZINC001083282767	790827516	/nfs/dbraw/zinc/82/75/16/790827516.db2.gz	SFZVXUJCIGJTOC-IXDOHACOSA-N	1	0	359.474	1.027	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cc(F)c[nH]2)C1=O	ZINC001087191392	780888179	/nfs/dbraw/zinc/88/81/79/780888179.db2.gz	LQZDHAVEWHBVQD-KBMXLJTQSA-N	1	0	362.449	1.771	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1	ZINC001022528444	780957217	/nfs/dbraw/zinc/95/72/17/780957217.db2.gz	WNCRBXSWTCBAQC-DOTOQJQBSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C[C@H]2O)CC1	ZINC001025490948	790843813	/nfs/dbraw/zinc/84/38/13/790843813.db2.gz	LEVBGGKFCKASRP-FGTMMUONSA-N	1	0	363.502	1.295	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)[N@H+](C)C1	ZINC000329017809	781139330	/nfs/dbraw/zinc/13/93/30/781139330.db2.gz	GVAVWQLSLVSXKL-JYJNAYRXSA-N	1	0	360.458	1.936	20	30		FDEDRO
Cc1c(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)ccc2c[nH+]cn21	ZINC001022570450	781207226	/nfs/dbraw/zinc/20/72/26/781207226.db2.gz	ZLXSKPSFRLBHAW-RVSPLBMKSA-N	1	0	351.410	1.475	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1C	ZINC001104397487	781263656	/nfs/dbraw/zinc/26/36/56/781263656.db2.gz	OBSKYBBYXVSZBX-IXDOHACOSA-N	1	0	363.502	1.954	20	30		FDEDRO
CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@H+](CC(=O)N(CCC#N)CCC#N)[C@H]1C	ZINC000934162631	781352586	/nfs/dbraw/zinc/35/25/86/781352586.db2.gz	NKEPATSQJNVHLB-MUQADHOPSA-N	1	0	362.474	1.940	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)c1C#N	ZINC000472074602	781468466	/nfs/dbraw/zinc/46/84/66/781468466.db2.gz	RRARLDTVWGDXTJ-CVEARBPZSA-N	1	0	373.505	1.305	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)c1	ZINC001022634647	781689970	/nfs/dbraw/zinc/68/99/70/781689970.db2.gz	BCKOWVLIZFBSJG-PKOBYXMFSA-N	1	0	366.465	1.078	20	30		FDEDRO
N#Cc1ccc(CN2C[C@H]3OCCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)cc1	ZINC001083249730	783521241	/nfs/dbraw/zinc/52/12/41/783521241.db2.gz	UITAHCKQXLFSNN-RBUKOAKNSA-N	1	0	366.465	1.066	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cn3cccnc3n2)C[C@H]1c1ccccc1	ZINC001211629388	783772904	/nfs/dbraw/zinc/77/29/04/783772904.db2.gz	NXMZKKKDNNBBME-ZWKOTPCHSA-N	1	0	359.433	1.950	20	30		FDEDRO
C=CCN(C(=O)NCC(=O)NCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000377020474	790973212	/nfs/dbraw/zinc/97/32/12/790973212.db2.gz	PGNIDACTICOXTH-QGZVFWFLSA-N	1	0	355.442	1.098	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CN(C(=O)NC2CCN(c3ccccc3C#N)CC2)CCO1	ZINC000892428765	783803084	/nfs/dbraw/zinc/80/30/84/783803084.db2.gz	KPBUOSBIQHWMSY-KBXCAEBGSA-N	1	0	357.458	1.285	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccnc1C)C2	ZINC001112519668	783842198	/nfs/dbraw/zinc/84/21/98/783842198.db2.gz	UIJNPZQHBPKHQX-FIKGOQFSSA-N	1	0	370.497	1.913	20	30		FDEDRO
C=CCCNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1	ZINC000658388169	783986988	/nfs/dbraw/zinc/98/69/88/783986988.db2.gz	VBVWGTNWCWQBRZ-UHFFFAOYSA-N	1	0	356.470	1.849	20	30		FDEDRO
C=CCCNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1	ZINC000658388707	783987657	/nfs/dbraw/zinc/98/76/57/783987657.db2.gz	BGYCYFUINYRTBK-QGZVFWFLSA-N	1	0	372.469	1.484	20	30		FDEDRO
C=CCCNC(=O)C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000658390313	783987798	/nfs/dbraw/zinc/98/77/98/783987798.db2.gz	WCLVNAOWDHXRNM-KRWDZBQOSA-N	1	0	367.453	1.961	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1	ZINC001024157266	784063306	/nfs/dbraw/zinc/06/33/06/784063306.db2.gz	KEWBSXSTKZSPSI-IXDOHACOSA-N	1	0	363.502	1.294	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2nnc(C)s2)C1	ZINC001024165701	784174196	/nfs/dbraw/zinc/17/41/96/784174196.db2.gz	UMFMPTNTTDGDLH-KFWWJZLASA-N	1	0	350.488	1.766	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C(N)=O)cc2)C1	ZINC001024165786	784175664	/nfs/dbraw/zinc/17/56/64/784175664.db2.gz	WULZDZXAFKEAMI-UHOSZYNNSA-N	1	0	371.481	1.705	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCc1ccnn1C	ZINC001024444330	784706115	/nfs/dbraw/zinc/70/61/15/784706115.db2.gz	ZFXUCGFEQNARPM-OTWHNJEPSA-N	1	0	360.502	1.915	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccn(CCOC)n2)C[C@H]1c1ccccc1	ZINC001211631219	784719817	/nfs/dbraw/zinc/71/98/17/784719817.db2.gz	ACIWCJQTLBKAKW-AZUAARDMSA-N	1	0	366.465	1.751	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C1	ZINC000658674626	784813299	/nfs/dbraw/zinc/81/32/99/784813299.db2.gz	AVLZIICDUIFDOC-KRWDZBQOSA-N	1	0	365.518	1.760	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)cc1	ZINC000364438652	785052642	/nfs/dbraw/zinc/05/26/42/785052642.db2.gz	FBDMXQQLJXDOAI-IIBYNOLFSA-N	1	0	363.417	1.894	20	30		FDEDRO
CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000365095609	785291601	/nfs/dbraw/zinc/29/16/01/785291601.db2.gz	IVMIUVKISFHGEW-QAPCUYQASA-N	1	0	356.470	1.896	20	30		FDEDRO
C=C(C)COCCNC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)C1CCCCC1	ZINC000685786444	785492580	/nfs/dbraw/zinc/49/25/80/785492580.db2.gz	MYUYVAWOFRQJOD-QGZVFWFLSA-N	1	0	362.474	1.726	20	30		FDEDRO
NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CCCCN2CC#Cc2ccccc2)O1	ZINC001024650975	785619988	/nfs/dbraw/zinc/61/99/88/785619988.db2.gz	RXUDGWHSJRSZLA-CEXWTWQISA-N	1	0	369.465	1.042	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(C(N)=O)c1	ZINC001024661621	785651596	/nfs/dbraw/zinc/65/15/96/785651596.db2.gz	KAZQEYCZISOFKC-OTWHNJEPSA-N	1	0	371.481	1.847	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(=O)n(CCCC)n3)[C@H]2C1	ZINC001083271719	785825735	/nfs/dbraw/zinc/82/57/35/785825735.db2.gz	YHHJVMWRAQDJRK-DLBZAZTESA-N	1	0	360.458	1.145	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cn(CC)cn2)C1	ZINC001111939789	785878475	/nfs/dbraw/zinc/87/84/75/785878475.db2.gz	SJBQZIPPTWDRMA-DOXZYTNZSA-N	1	0	359.474	1.178	20	30		FDEDRO
C#CCC1(C(=O)N2CCN(CC[N@@H+]3CCCOCC3)CC2)CCCCC1	ZINC000376138598	785982558	/nfs/dbraw/zinc/98/25/58/785982558.db2.gz	CTIDPUHMJYUTGF-UHFFFAOYSA-N	1	0	361.530	1.827	20	30		FDEDRO
N#Cc1ccc(C[C@H](C#N)C(=O)N2CCC[N@@H+](C3CCOCC3)CC2)cc1	ZINC000376145658	785994818	/nfs/dbraw/zinc/99/48/18/785994818.db2.gz	BQVPZKZMCJHLGR-LJQANCHMSA-N	1	0	366.465	1.954	20	30		FDEDRO
N#Cc1ccccc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@@H]2C1	ZINC000978708223	805681331	/nfs/dbraw/zinc/68/13/31/805681331.db2.gz	IHNFOHARRSJZLW-CTMNZFAUSA-N	1	0	366.465	1.254	20	30		FDEDRO
C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3CN(CC#Cc4ccc(F)cc4)C[C@@H]32)C1	ZINC001083273606	786774042	/nfs/dbraw/zinc/77/40/42/786774042.db2.gz	AUVBJQZSVYWOIU-YZGWKJHDSA-N	1	0	371.456	1.041	20	30		FDEDRO
N#Cc1ccc(CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)cc1	ZINC000431810914	787030096	/nfs/dbraw/zinc/03/00/96/787030096.db2.gz	IEIHFQDBMNZPDG-UHFFFAOYSA-N	1	0	357.458	1.350	20	30		FDEDRO
N#Cc1ccccc1CN1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1	ZINC001083275722	787183057	/nfs/dbraw/zinc/18/30/57/787183057.db2.gz	SLWDMRNLHMOIMN-RBUKOAKNSA-N	1	0	354.454	1.066	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1	ZINC000892589176	787517510	/nfs/dbraw/zinc/51/75/10/787517510.db2.gz	MFGHIUGCAIGADV-ACHSLPGTSA-N	1	0	354.458	1.315	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cncc(F)c3)C[C@H]21	ZINC000978824808	805800482	/nfs/dbraw/zinc/80/04/82/805800482.db2.gz	BEMDACSRSFARGO-FKSLSLAPSA-N	1	0	359.445	1.996	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000376496218	788063781	/nfs/dbraw/zinc/06/37/81/788063781.db2.gz	VNNCSZYOSLBEPM-MISYRCLQSA-N	1	0	370.497	1.853	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CS(=O)(=O)NC)C1	ZINC001111988757	788266632	/nfs/dbraw/zinc/26/66/32/788266632.db2.gz	RGDYLALHDGUULD-RDJZCZTQSA-N	1	0	359.536	1.477	20	30		FDEDRO
C=CCN(C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)[C@H]1CCS(=O)(=O)C1	ZINC000659251725	788316644	/nfs/dbraw/zinc/31/66/44/788316644.db2.gz	JVVTUYFNSVEGMA-IRXDYDNUSA-N	1	0	362.495	1.881	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CN(C(C)C)CCO2)C[C@H]1C	ZINC001104579398	788464231	/nfs/dbraw/zinc/46/42/31/788464231.db2.gz	BJBUNXAZJCNSNJ-GUDVDZBRSA-N	1	0	367.534	1.372	20	30		FDEDRO
O=C(CC#Cc1ccccc1)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCNC1=O)C2	ZINC001111999633	788511443	/nfs/dbraw/zinc/51/14/43/788511443.db2.gz	TXOIWYJPNQTBBL-WFXMLNOXSA-N	1	0	351.450	1.287	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1	ZINC000973325917	788614258	/nfs/dbraw/zinc/61/42/58/788614258.db2.gz	NHBQQNRVDGHANI-ZKXLYKBJSA-N	1	0	363.502	1.605	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)C2(c3cc(C)no3)CC2)C[C@H]1C	ZINC001104581878	788729848	/nfs/dbraw/zinc/72/98/48/788729848.db2.gz	RXZYZUIZUTVGOR-NVXWUHKLSA-N	1	0	359.470	1.739	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cc[nH]c2C2CC2)C[C@H]1C	ZINC001104593576	788781647	/nfs/dbraw/zinc/78/16/47/788781647.db2.gz	FPIMLAQHICHDHC-HLLBOEOZSA-N	1	0	370.497	1.718	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cc(C)nc(OC)c2)C[C@H]1C	ZINC001104593588	788781779	/nfs/dbraw/zinc/78/17/79/788781779.db2.gz	GGDRDUBWALBDHE-NVXWUHKLSA-N	1	0	359.470	1.736	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)C2CCC(OC)CC2)C[C@H]1C	ZINC001104604526	788827966	/nfs/dbraw/zinc/82/79/66/788827966.db2.gz	ZODHAPJFBMKKTA-TXQGORRRSA-N	1	0	350.503	1.916	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(OC)cc2C)C[C@H]1C	ZINC001104616970	788940431	/nfs/dbraw/zinc/94/04/31/788940431.db2.gz	KBKTYMNEWBXDQY-IAGOWNOFSA-N	1	0	371.481	1.441	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNS(C)(=O)=O)C1	ZINC001104631478	789059127	/nfs/dbraw/zinc/05/91/27/789059127.db2.gz	OUMYSRQUSZBNLU-BFYDXBDKSA-N	1	0	359.536	1.212	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C2)CCC1	ZINC001104639800	789111623	/nfs/dbraw/zinc/11/16/23/789111623.db2.gz	WVFUIXDTLZMKCU-ZIAGYGMSSA-N	1	0	350.463	1.002	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NCC=C)C2)c1	ZINC001104659382	789180625	/nfs/dbraw/zinc/18/06/25/789180625.db2.gz	JANUFRSBBOBEEO-SOLBZPMBSA-N	1	0	368.481	1.441	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](C)c3nnnn3C)C2)c1	ZINC001104659495	789181836	/nfs/dbraw/zinc/18/18/36/789181836.db2.gz	NFVARVAUTWXMBC-IIAWOOMASA-N	1	0	367.457	1.035	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](C)c3nncn3C)C2)c1	ZINC001104659817	789210077	/nfs/dbraw/zinc/21/00/77/789210077.db2.gz	VDPMMHSLJSEJRE-HLLBOEOZSA-N	1	0	366.469	1.640	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(CCC(N)=O)cc2)C[C@H]1C	ZINC001104661611	789214117	/nfs/dbraw/zinc/21/41/17/789214117.db2.gz	KHWCPQANXVEUKF-VQIMIIECSA-N	1	0	355.482	1.816	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccn(C)c2CC)C[C@H]1C	ZINC001104679082	789328040	/nfs/dbraw/zinc/32/80/40/789328040.db2.gz	FFBVDCPKZBQYQZ-HZPDHXFCSA-N	1	0	358.486	1.025	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2Cc3ccncc3C2)C[C@H]1C	ZINC001104681543	789345613	/nfs/dbraw/zinc/34/56/13/789345613.db2.gz	KUBKBBXXCYXZJF-KBAYOESNSA-N	1	0	370.497	1.173	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)C2(CF)CCOCC2)C[C@H]1C	ZINC001104681977	789353806	/nfs/dbraw/zinc/35/38/06/789353806.db2.gz	VHPNRYSMOZQJSU-IAGOWNOFSA-N	1	0	354.466	1.477	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1	ZINC000472639348	789476141	/nfs/dbraw/zinc/47/61/41/789476141.db2.gz	CAESOKLMXSRMNZ-UHFFFAOYSA-N	1	0	364.377	1.829	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(CC)CC)C1	ZINC001104704106	789552409	/nfs/dbraw/zinc/55/24/09/789552409.db2.gz	JHFHRUZPQGDZMU-TVFCKZIOSA-N	1	0	365.518	1.520	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(OC)c(OC)cc3C)[C@H]2C1	ZINC001083281605	789633702	/nfs/dbraw/zinc/63/37/02/789633702.db2.gz	UYCLUJKRCRSCGC-QFBILLFUSA-N	1	0	358.438	1.561	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cccc3c2OCC3)C[C@H]1C	ZINC001104711353	789649531	/nfs/dbraw/zinc/64/95/31/789649531.db2.gz	FTRVMKOTYPIWBT-NVXWUHKLSA-N	1	0	369.465	1.059	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCn2cnc(C#N)n2)C1	ZINC000377215850	791274631	/nfs/dbraw/zinc/27/46/31/791274631.db2.gz	FIUUYSROERKNOC-HOTGVXAUSA-N	1	0	359.478	1.446	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1nc(N)nc(C(F)(F)F)n1	ZINC000892909905	791649676	/nfs/dbraw/zinc/64/96/76/791649676.db2.gz	AYMKHDFUZZQNFO-UHFFFAOYSA-N	1	0	365.363	1.912	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CC23CCN(c2cnc(C#N)cn2)CC3)CC[N@@H+]1C	ZINC001058656190	791729898	/nfs/dbraw/zinc/72/98/98/791729898.db2.gz	XKKGUIVFMIHLJK-BMFZPTHFSA-N	1	0	354.458	1.164	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCCCS(N)(=O)=O)C1	ZINC001112030204	791859514	/nfs/dbraw/zinc/85/95/14/791859514.db2.gz	HJWUQZAVFJKTCS-RDJZCZTQSA-N	1	0	357.520	1.382	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)CN1CCC(C(=O)Nc2nccs2)CC1	ZINC000377459315	791884505	/nfs/dbraw/zinc/88/45/05/791884505.db2.gz	HOTUNKNGIDBMDT-UHFFFAOYSA-N	1	0	374.470	1.450	20	30		FDEDRO
CCCN(C(=O)C(=O)Nc1cccc(OCCCC#N)c1)[C@H]1CC[NH2+]C1	ZINC000415384408	792140235	/nfs/dbraw/zinc/14/02/35/792140235.db2.gz	CXBAFAXLYPEPEQ-INIZCTEOSA-N	1	0	358.442	1.908	20	30		FDEDRO
CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000415423216	792229511	/nfs/dbraw/zinc/22/95/11/792229511.db2.gz	FMWGRXIZWJIZDZ-GFCCVEGCSA-N	1	0	372.347	1.885	20	30		FDEDRO
CC1(C)C[NH2+]CC[C@@H]1NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1	ZINC000415435037	792265977	/nfs/dbraw/zinc/26/59/77/792265977.db2.gz	AQITXGILIDWREU-HNNXBMFYSA-N	1	0	356.405	2.393	20	30		FDEDRO
C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000415523576	792433048	/nfs/dbraw/zinc/43/30/48/792433048.db2.gz	NLZFKNGXIBVMEI-VHSXEESVSA-N	1	0	370.331	1.591	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(CC[NH2+]C)CC2)cc1	ZINC000415551567	792505646	/nfs/dbraw/zinc/50/56/46/792505646.db2.gz	OTDVGRMGNZBUDG-UHFFFAOYSA-N	1	0	372.469	1.389	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCO[C@@](C)(C#N)C2)[C@@H](C)C1	ZINC000893050758	792646749	/nfs/dbraw/zinc/64/67/49/792646749.db2.gz	NKZIJHJHHWLGDU-BQFCYCMXSA-N	1	0	352.479	1.447	20	30		FDEDRO
C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	ZINC000415609943	792685700	/nfs/dbraw/zinc/68/57/00/792685700.db2.gz	HRBRZOABRWZLHU-SMDDNHRTSA-N	1	0	369.450	1.734	20	30		FDEDRO
C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@]2(COC)CCC[NH2+]2)c1	ZINC000415707657	792847790	/nfs/dbraw/zinc/84/77/90/792847790.db2.gz	MXRSFCFHVBITKI-LJQANCHMSA-N	1	0	361.442	1.465	20	30		FDEDRO
N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)cc1	ZINC000415764996	792945221	/nfs/dbraw/zinc/94/52/21/792945221.db2.gz	ULXMCFOEGALWSD-PIIMJCKOSA-N	1	0	362.389	1.623	20	30		FDEDRO
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH3+]	ZINC000415792166	793003185	/nfs/dbraw/zinc/00/31/85/793003185.db2.gz	SUHYOOLXCSWDAE-OLZOCXBDSA-N	1	0	367.409	1.844	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@@H](C)c2cccnc2)C[C@H]1C	ZINC001104752542	793070359	/nfs/dbraw/zinc/07/03/59/793070359.db2.gz	GLSPFZUQWNQGHJ-ZHALLVOQSA-N	1	0	370.497	1.399	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC#Cc1cccc(F)c1	ZINC000511534061	793074973	/nfs/dbraw/zinc/07/49/73/793074973.db2.gz	XISOIHSKFKOHPG-GOSISDBHSA-N	1	0	374.460	1.419	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(n2cc(C[NH2+]C[C@H](C)CC)nn2)C1	ZINC001105342750	806220620	/nfs/dbraw/zinc/22/06/20/806220620.db2.gz	URMCIAXDPOIFSW-JLSDUUJJSA-N	1	0	361.490	1.778	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3cnccn3)C[C@H]21	ZINC001026096145	793284774	/nfs/dbraw/zinc/28/47/74/793284774.db2.gz	QWSGNULSDIRIEU-ZRTWPRGNSA-N	1	0	356.470	1.955	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)cc1C#N	ZINC000415890107	793295607	/nfs/dbraw/zinc/29/56/07/793295607.db2.gz	GZZBLZQLBQUIGL-HIFRSBDPSA-N	1	0	356.426	1.352	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2ccccc2F)[C@H](NC(=O)Cc2ncc[nH]2)C1	ZINC001026121142	793403410	/nfs/dbraw/zinc/40/34/10/793403410.db2.gz	OBXDXFDPUOKYKG-DUVNUKRYSA-N	1	0	369.400	1.362	20	30		FDEDRO
C[C@H](CC(C)(C)C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104754660	793413229	/nfs/dbraw/zinc/41/32/29/793413229.db2.gz	HCRFHWCHGCCRJI-BZUAXINKSA-N	1	0	350.507	1.773	20	30		FDEDRO
N#CCCN(Cc1ccco1)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1	ZINC000415949249	793418458	/nfs/dbraw/zinc/41/84/58/793418458.db2.gz	FRCXUYFVDYNWKO-UHFFFAOYSA-N	1	0	355.402	1.427	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2ccsc2C)C[C@H]1C	ZINC001104759622	793506686	/nfs/dbraw/zinc/50/66/86/793506686.db2.gz	STPPGSRWCLOABV-RHSMWYFYSA-N	1	0	361.511	1.423	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C(N)=O)s2)C[C@H]1C	ZINC001104787910	793681751	/nfs/dbraw/zinc/68/17/51/793681751.db2.gz	ZZRSFGIPQOPOMP-ZIAGYGMSSA-N	1	0	363.483	1.185	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)CC[C@@H]2CCCOC2)C[C@H]1C	ZINC001104850442	794059986	/nfs/dbraw/zinc/05/99/86/794059986.db2.gz	HDACWGZKSLOPLG-CEXWTWQISA-N	1	0	350.503	1.917	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH+]1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1	ZINC000378405419	794096922	/nfs/dbraw/zinc/09/69/22/794096922.db2.gz	DFUGSAFGOCMGRA-QGZVFWFLSA-N	1	0	360.502	1.863	20	30		FDEDRO
N#Cc1ccc(I)cc1C(=O)N[C@@H]1CCC[NH2+]C1	ZINC001220895293	794148491	/nfs/dbraw/zinc/14/84/91/794148491.db2.gz	UYUGYTRSMQQKTC-LLVKDONJSA-N	1	0	355.179	1.645	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2(F)CCCCC2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104870726	794151750	/nfs/dbraw/zinc/15/17/50/794151750.db2.gz	PBEJLIPCBKWJJI-HUUCEWRRSA-N	1	0	352.454	1.373	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cn(C3CCOCC3)nn2)C[C@H]1C	ZINC001104880318	794199273	/nfs/dbraw/zinc/19/92/73/794199273.db2.gz	XRRKWSOAHIDWOG-HZPDHXFCSA-N	1	0	359.474	1.341	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC000378491899	794212482	/nfs/dbraw/zinc/21/24/82/794212482.db2.gz	GHLGDXVIBJAUHV-UHFFFAOYSA-N	1	0	361.449	1.920	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2c(OC)cc[nH]c2=O)C[C@H]1C	ZINC001104913996	794371101	/nfs/dbraw/zinc/37/11/01/794371101.db2.gz	POMHFFRLMCLGMY-HUUCEWRRSA-N	1	0	363.458	1.686	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)c2ccc(C)cc2)C[C@H]1C	ZINC001104921580	794403777	/nfs/dbraw/zinc/40/37/77/794403777.db2.gz	IXTDHYYZOYUNBQ-WSTZPKSXSA-N	1	0	369.509	1.922	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NCCC)C2)nc1	ZINC001104924126	794420514	/nfs/dbraw/zinc/42/05/14/794420514.db2.gz	HFLJYAACQHVFEP-JFIYKMOQSA-N	1	0	370.497	1.665	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nonc3C)C2)cn1	ZINC001104927582	794435684	/nfs/dbraw/zinc/43/56/84/794435684.db2.gz	KPAXVAMCOCBHMJ-CZUORRHYSA-N	1	0	353.426	1.642	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(F)cc2C)C[C@H]1C	ZINC001104932525	794450540	/nfs/dbraw/zinc/45/05/40/794450540.db2.gz	XYGLKUSJNFLACU-HZPDHXFCSA-N	1	0	359.445	1.571	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4[nH]c(=O)n(C)c4c3)[C@H]2C1	ZINC001083294369	794472312	/nfs/dbraw/zinc/47/23/12/794472312.db2.gz	XYRZBZJHUBSSDS-DLBZAZTESA-N	1	0	356.426	1.380	20	30		FDEDRO
C=CCN(C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1	ZINC000660071340	794550855	/nfs/dbraw/zinc/55/08/55/794550855.db2.gz	YBIGJUNLAKXPSZ-HOTGVXAUSA-N	1	0	356.532	1.946	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCC2)C1	ZINC001104954702	794552573	/nfs/dbraw/zinc/55/25/73/794552573.db2.gz	OZLQNXYIBVHTQZ-YLJYHZDGSA-N	1	0	367.493	1.517	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](OC)C2CCCC2)C[C@H]1C	ZINC001104958429	794583899	/nfs/dbraw/zinc/58/38/99/794583899.db2.gz	UYXXYHRPLZOLKE-SZVBFZGTSA-N	1	0	363.502	1.015	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cc1	ZINC000974191460	794706287	/nfs/dbraw/zinc/70/62/87/794706287.db2.gz	COKGAVCLLZTLRZ-ZSYWTGECSA-N	1	0	353.466	1.775	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CCC(=O)N2CCOCC2)C[C@H]1C	ZINC001104978612	794719151	/nfs/dbraw/zinc/71/91/51/794719151.db2.gz	CLTRHENWQNCRAF-IAGOWNOFSA-N	1	0	351.491	1.276	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](CN(C)c3nccnc3C#N)C2)CC[N@@H+]1C	ZINC001058708482	794758600	/nfs/dbraw/zinc/75/86/00/794758600.db2.gz	NCHAKHRANHHUJB-XYJFISCASA-N	1	0	370.501	1.753	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C(N)=O)cc2)C[C@H]1C	ZINC001104998086	794815701	/nfs/dbraw/zinc/81/57/01/794815701.db2.gz	FJTRSCBWLUQIJP-CRAIPNDOSA-N	1	0	357.454	1.123	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CC[C@](O)(C2CC2)C1	ZINC000365866185	794925919	/nfs/dbraw/zinc/92/59/19/794925919.db2.gz	XASCNQRSPOZXFI-LJQANCHMSA-N	1	0	351.410	1.529	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ncc3n2CCCC3)C[C@H]1C	ZINC001105036452	795016618	/nfs/dbraw/zinc/01/66/18/795016618.db2.gz	IJGXXHWKELZVST-IAGOWNOFSA-N	1	0	358.486	1.557	20	30		FDEDRO
C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C)C(=O)N(C)C	ZINC001105045539	795047719	/nfs/dbraw/zinc/04/77/19/795047719.db2.gz	VOLVGLMKXJDGRW-QWFCFKBJSA-N	1	0	369.509	1.979	20	30		FDEDRO
C=C[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1)c1ccccc1	ZINC001105050210	795065905	/nfs/dbraw/zinc/06/59/05/795065905.db2.gz	LYKXBBOEYNIEGG-QRQLOZEOSA-N	1	0	368.481	1.670	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC(C2CC2)C2CC2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001105070348	795143269	/nfs/dbraw/zinc/14/32/69/795143269.db2.gz	HFWWHTRTAGQIDI-RHSMWYFYSA-N	1	0	360.502	1.527	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnc(CC)n2C)C1	ZINC001105085498	795206371	/nfs/dbraw/zinc/20/63/71/795206371.db2.gz	SQXHPRFPIJLJNU-HZPDHXFCSA-N	1	0	363.506	1.544	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCS(C)(=O)=O)C1	ZINC001105089961	795232303	/nfs/dbraw/zinc/23/23/03/795232303.db2.gz	CQUZJZWLFMTCHO-HZPDHXFCSA-N	1	0	360.520	1.088	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC2CC2)C1	ZINC001105090213	795233451	/nfs/dbraw/zinc/23/34/51/795233451.db2.gz	MVRWNFAVTMEIKG-OWCLPIDISA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCS(C)(=O)=O)C1	ZINC001105091168	795239586	/nfs/dbraw/zinc/23/95/86/795239586.db2.gz	SZYWEIURBCFIJF-OWCLPIDISA-N	1	0	360.520	1.086	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCOC)C1	ZINC001112079826	795250929	/nfs/dbraw/zinc/25/09/29/795250929.db2.gz	WHJOFCXZMSFTEC-ZIAGYGMSSA-N	1	0	352.397	1.985	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc3c2CCC3)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001105094883	795256879	/nfs/dbraw/zinc/25/68/79/795256879.db2.gz	HCGDHQFVQMELQE-NVXWUHKLSA-N	1	0	368.481	1.503	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccccc2N(C)C)C[C@H]1C	ZINC001105098864	795274935	/nfs/dbraw/zinc/27/49/35/795274935.db2.gz	AUYGTECXXUPMKE-IAGOWNOFSA-N	1	0	370.497	1.190	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)n(C)c3c2)C[C@H]1C	ZINC001105118209	795339562	/nfs/dbraw/zinc/33/95/62/795339562.db2.gz	IJRDHCUADNDAER-GDBMZVCRSA-N	1	0	354.454	1.990	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@H]3CCC[C@@H]([NH3+])C3)C2=O)cc1	ZINC000417987961	795447871	/nfs/dbraw/zinc/44/78/71/795447871.db2.gz	GSDLIQHUHDIUSD-JZXOWHBKSA-N	1	0	369.469	1.870	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]C[C@@H](C)CC)nn2)C1	ZINC001105243075	795532974	/nfs/dbraw/zinc/53/29/74/795532974.db2.gz	TYMISAJIBTXFSX-QGTPRVQTSA-N	1	0	361.490	1.778	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C2CCC(NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)cc1	ZINC001026561897	795548909	/nfs/dbraw/zinc/54/89/09/795548909.db2.gz	BRGZLJXEPVDRQY-SMVLHYPJSA-N	1	0	368.481	1.977	20	30		FDEDRO
N#Cc1ccccc1C[NH2+]C1CCC(NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1	ZINC001026562110	795549054	/nfs/dbraw/zinc/54/90/54/795549054.db2.gz	MGUDIXFTGQXQHH-OMGLFLRBSA-N	1	0	368.481	1.977	20	30		FDEDRO
C[NH2+]C[C@@H](C)CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000418361613	795819985	/nfs/dbraw/zinc/81/99/85/795819985.db2.gz	APIBMHQNYJSCMO-CQSZACIVSA-N	1	0	357.458	1.774	20	30		FDEDRO
CCN(CC)C(=O)CN[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C(F)(F)F	ZINC001112097415	795886959	/nfs/dbraw/zinc/88/69/59/795886959.db2.gz	DFSPADBWWCHXDS-ZIAGYGMSSA-N	1	0	359.392	1.247	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CCCn2nccc21)C(C)C	ZINC000636561633	796056454	/nfs/dbraw/zinc/05/64/54/796056454.db2.gz	XNBRDGUYZOJFGT-FUHWJXTLSA-N	1	0	373.501	1.649	20	30		FDEDRO
C=C(C)CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C2)nn1	ZINC001105331716	796178520	/nfs/dbraw/zinc/17/85/20/796178520.db2.gz	NJINMNFTKIUKQG-ZWKOTPCHSA-N	1	0	369.473	1.254	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1	ZINC000979855689	806563759	/nfs/dbraw/zinc/56/37/59/806563759.db2.gz	GKHZSSPWHZJATL-WSRJKRBPSA-N	1	0	363.502	1.463	20	30		FDEDRO
C#Cc1ccc(C(=O)N(CCC(=O)OCC)C[C@@H]2CCC[N@@H+]2CC)cn1	ZINC000728862462	806599935	/nfs/dbraw/zinc/59/99/35/806599935.db2.gz	PYHSMOVMTQMNOY-SFHVURJKSA-N	1	0	357.454	1.943	20	30		FDEDRO
C#Cc1ccc(C(=O)NCc2cccc(OCC[N@@H+](C)CCOC)c2)cn1	ZINC000728865208	806636783	/nfs/dbraw/zinc/63/67/83/806636783.db2.gz	AKVSNHBVOBBQAI-UHFFFAOYSA-N	1	0	367.449	1.950	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)CC[C@@H]1c1ccccc1	ZINC001087428015	806676503	/nfs/dbraw/zinc/67/65/03/806676503.db2.gz	IGBVDTDXRNEXDB-WTGUMLROSA-N	1	0	358.482	1.934	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)CCC[NH2+]1	ZINC000662466745	806695554	/nfs/dbraw/zinc/69/55/54/806695554.db2.gz	YBDBAHIETQZNQI-KRWDZBQOSA-N	1	0	351.472	1.088	20	30		FDEDRO
N#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1	ZINC001087428166	806741221	/nfs/dbraw/zinc/74/12/21/806741221.db2.gz	PXVJWQZXDHOIJV-VAMGGRTRSA-N	1	0	352.482	1.826	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC(N)=O)C2)CC1	ZINC001112523303	799893956	/nfs/dbraw/zinc/89/39/56/799893956.db2.gz	MDQHVLPXKWXNPY-KXBFYZLASA-N	1	0	362.474	1.146	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cc3n(n2)CCC3)C1	ZINC001026849770	800016504	/nfs/dbraw/zinc/01/65/04/800016504.db2.gz	FFRISLCRFWLXLU-LZQZEXGQSA-N	1	0	358.486	1.749	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)CCc4c[nH]cn4)C[C@H]32)nc1	ZINC000974680977	800063435	/nfs/dbraw/zinc/06/34/35/800063435.db2.gz	RGCJLRDOWMFXJA-CRAIPNDOSA-N	1	0	363.421	1.092	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C(C)(C)C1	ZINC000974684295	800082840	/nfs/dbraw/zinc/08/28/40/800082840.db2.gz	HVTGTPRAOQZNHF-GUDVDZBRSA-N	1	0	356.466	1.993	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cc(F)ccc2C#N)C1	ZINC001026894491	800129545	/nfs/dbraw/zinc/12/95/45/800129545.db2.gz	GUYCUXZNFMOHFX-DEYYWGMASA-N	1	0	361.417	1.439	20	30		FDEDRO
C=CCOc1ccc(OS(=O)(=O)CCCN2CC[NH+](C)CC2)cc1	ZINC000866891335	800410827	/nfs/dbraw/zinc/41/08/27/800410827.db2.gz	BIUDKCNBSDTZFB-UHFFFAOYSA-N	1	0	354.472	1.598	20	30		FDEDRO
C=CC[C@@]1(C(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)CCC[NH2+]1	ZINC000662533663	806834186	/nfs/dbraw/zinc/83/41/86/806834186.db2.gz	BPAYPXUIELVNAY-YWZLYKJASA-N	1	0	373.453	1.126	20	30		FDEDRO
C=CC[C@]1(C(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CCC[NH2+]1	ZINC000662569010	806848251	/nfs/dbraw/zinc/84/82/51/806848251.db2.gz	UIQFIYLWSPVPPD-RTBURBONSA-N	1	0	356.426	1.056	20	30		FDEDRO
C=CC[C@@]1(C(=O)Nc2cc(C(=O)NCCC(N)=O)ccc2F)CCC[NH2+]1	ZINC000662571329	806848333	/nfs/dbraw/zinc/84/83/33/806848333.db2.gz	MPZVQYHAJRNPSV-SFHVURJKSA-N	1	0	362.405	1.068	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3ccccc3CC[NH+](C)C)C[C@H]21	ZINC000974975891	800628586	/nfs/dbraw/zinc/62/85/86/800628586.db2.gz	RDQVBNSESYSBKW-KVSKMBFKSA-N	1	0	368.481	1.623	20	30		FDEDRO
N#Cc1ccccc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC001027067847	800653662	/nfs/dbraw/zinc/65/36/62/800653662.db2.gz	CGKHFNUMYZONFX-XHSDSOJGSA-N	1	0	354.454	1.398	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)C[C@H]32)C1	ZINC000975056645	800798677	/nfs/dbraw/zinc/79/86/77/800798677.db2.gz	IFRYSRUBJXMBAD-KZNAEPCWSA-N	1	0	357.498	1.744	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CN(Cc2c(C)nnn2CC)CC1(C)C	ZINC000975063250	800810343	/nfs/dbraw/zinc/81/03/43/800810343.db2.gz	JCRZGXJENLFQAP-PVAVHDDUSA-N	1	0	361.490	1.524	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000975189877	800974209	/nfs/dbraw/zinc/97/42/09/800974209.db2.gz	WXSUTFZFNSZROX-IIAWOOMASA-N	1	0	357.458	1.195	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cnn(CC)n2)C1	ZINC001027113948	800978430	/nfs/dbraw/zinc/97/84/30/800978430.db2.gz	MGLKCTWLHAQCHL-NJAFHUGGSA-N	1	0	361.490	1.607	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1	ZINC000975219976	801019042	/nfs/dbraw/zinc/01/90/42/801019042.db2.gz	FZEYWQYDHIBRQG-YQVWRLOYSA-N	1	0	370.497	1.689	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)C=C(C)C)C[C@@H]32)CC1	ZINC000975529604	801415789	/nfs/dbraw/zinc/41/57/89/801415789.db2.gz	XNCZGVWOGHDOCH-HKUYNNGSSA-N	1	0	357.498	1.747	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]C[C@H](O)COC)C2)CC1	ZINC001112524528	801476246	/nfs/dbraw/zinc/47/62/46/801476246.db2.gz	SXZRNWNZYBOZIJ-ZWOKBUDYSA-N	1	0	350.503	1.958	20	30		FDEDRO
CCCCC1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)CC1	ZINC001112524540	801481878	/nfs/dbraw/zinc/48/18/78/801481878.db2.gz	ULDPHLIVBCRVBD-JXFKEZNVSA-N	1	0	360.502	1.815	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)[C@H]4CC4(C)C)C[C@@H]32)CC1	ZINC000975665990	801886704	/nfs/dbraw/zinc/88/67/04/801886704.db2.gz	RRXLSKNZJHDCRT-UHOSZYNNSA-N	1	0	371.525	1.827	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]32)C1	ZINC000975670500	801902499	/nfs/dbraw/zinc/90/24/99/801902499.db2.gz	KEGJEBXFMZOQOB-MPGHIAIKSA-N	1	0	369.469	1.291	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21	ZINC000975724312	802085186	/nfs/dbraw/zinc/08/51/86/802085186.db2.gz	NFHPFSZXDJPBBU-FHWLQOOXSA-N	1	0	355.482	1.191	20	30		FDEDRO
C[NH+](C)[C@H](C(=O)N1CC[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@H]2C1)C1CC1	ZINC000975758254	802280967	/nfs/dbraw/zinc/28/09/67/802280967.db2.gz	JVKVJNUULIKIAX-KKXDTOCCSA-N	1	0	369.469	1.290	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1CC[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@H]2C1)[NH+](C)C	ZINC000975758530	802281558	/nfs/dbraw/zinc/28/15/58/802281558.db2.gz	KDMSUWWVBQZNKQ-SZMVWBNQSA-N	1	0	371.485	1.536	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CCN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]32)nc1	ZINC000975778174	802329699	/nfs/dbraw/zinc/32/96/99/802329699.db2.gz	BZKCTNFHZSWZKN-UHOSZYNNSA-N	1	0	368.481	1.466	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CCN(C(=O)C#CC3CC3)[C@H]2C1	ZINC000975796675	802391171	/nfs/dbraw/zinc/39/11/71/802391171.db2.gz	NOSRDGGPGAMCRW-ZCNNSNEGSA-N	1	0	371.525	1.970	20	30		FDEDRO
C[NH+](C)[C@@]1(CNC(=O)N2CCC3(CC2)CC(=O)C=CO3)CCSC1	ZINC000893412989	802424031	/nfs/dbraw/zinc/42/40/31/802424031.db2.gz	RPKRKFDVVFMXRF-MRXNPFEDSA-N	1	0	353.488	1.471	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1	ZINC000661116265	802754473	/nfs/dbraw/zinc/75/44/73/802754473.db2.gz	IARQYAVHDFURQS-ZACQAIPSSA-N	1	0	372.531	1.373	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC(C)(F)F)C2	ZINC001112524756	802776365	/nfs/dbraw/zinc/77/63/65/802776365.db2.gz	GOCWPRLXHKTHDO-DEYYWGMASA-N	1	0	355.429	1.388	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)CCC[NH2+]1	ZINC000662717966	802887464	/nfs/dbraw/zinc/88/74/64/802887464.db2.gz	UMFDDZBMFKIVGF-HXUWFJFHSA-N	1	0	362.518	1.278	20	30		FDEDRO
C=CCOc1ccc(C(=O)NC2CCN(C(=O)CCC[NH2+]C)CC2)cc1	ZINC000662746135	803018728	/nfs/dbraw/zinc/01/87/28/803018728.db2.gz	QWGXSNUXITWLQU-UHFFFAOYSA-N	1	0	359.470	1.972	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)CCC[NH2+]1	ZINC000662799365	803303113	/nfs/dbraw/zinc/30/31/13/803303113.db2.gz	JLAYESFGQNIIKT-SFHVURJKSA-N	1	0	363.483	1.541	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)CCC[NH2+]1	ZINC000662802162	803319451	/nfs/dbraw/zinc/31/94/51/803319451.db2.gz	ZFSVTVLIBIEXTH-FUHWJXTLSA-N	1	0	369.531	1.538	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)CC1	ZINC000976470737	803424967	/nfs/dbraw/zinc/42/49/67/803424967.db2.gz	VFJLPVRAPPDJNG-IVDHNXQLSA-N	1	0	371.525	1.921	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccn(C)c1C)C2	ZINC001112525217	803483985	/nfs/dbraw/zinc/48/39/85/803483985.db2.gz	GYGLKLWGGWCKDA-KUDFPVQQSA-N	1	0	370.497	1.303	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC2(C)C)CC1	ZINC000976545766	803509344	/nfs/dbraw/zinc/50/93/44/803509344.db2.gz	YHHIDENXWVRNCR-KZNAEPCWSA-N	1	0	359.514	1.921	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC000976560849	803526605	/nfs/dbraw/zinc/52/66/05/803526605.db2.gz	WPJWIXZQGSMEQP-KZNAEPCWSA-N	1	0	371.485	1.918	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC(C)(F)F)C[C@H]1c1ccccc1	ZINC001211669134	803971496	/nfs/dbraw/zinc/97/14/96/803971496.db2.gz	KCFZSGWGXHEVFF-JKSUJKDBSA-N	1	0	365.424	1.918	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CCC[C@@H](C[NH2+]C)C1	ZINC000423169730	814986570	/nfs/dbraw/zinc/98/65/70/814986570.db2.gz	KIUDZQQFWIBLOX-KRWDZBQOSA-N	1	0	359.470	1.668	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1	ZINC000423172728	814988030	/nfs/dbraw/zinc/98/80/30/814988030.db2.gz	UWMZXMAACLKJSQ-RDJZCZTQSA-N	1	0	359.470	1.796	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1	ZINC000423194240	814997414	/nfs/dbraw/zinc/99/74/14/814997414.db2.gz	YQFFDRKFMSWIBJ-YJBOKZPZSA-N	1	0	354.454	1.516	20	30		FDEDRO
N#Cc1ccc(F)cc1CN1C[C@@H]2CCN(C(=O)[C@@H]3COCCO3)[C@@H]2C1	ZINC001075568336	804416796	/nfs/dbraw/zinc/41/67/96/804416796.db2.gz	XQTOJOYBVXQOFW-QGTPRVQTSA-N	1	0	359.401	1.145	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1	ZINC000909371444	804540670	/nfs/dbraw/zinc/54/06/70/804540670.db2.gz	VFDDBIDFYYUODY-OAHLLOKOSA-N	1	0	355.479	1.637	20	30		FDEDRO
C=C1CCN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC1	ZINC000893495295	804658581	/nfs/dbraw/zinc/65/85/81/804658581.db2.gz	XSUUNOWSIQALQN-UHFFFAOYSA-N	1	0	350.507	1.975	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1	ZINC000662960547	804736768	/nfs/dbraw/zinc/73/67/68/804736768.db2.gz	SBVHPTBCVOOEIN-FHLIZLRMSA-N	1	0	359.445	1.894	20	30		FDEDRO
CN(C[C@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C(=O)c1ccc(C#N)[nH]1	ZINC000977595684	804855393	/nfs/dbraw/zinc/85/53/93/804855393.db2.gz	CQBMAJRLQZCDIF-MGPQQGTHSA-N	1	0	352.398	1.086	20	30		FDEDRO
C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1	ZINC001027574069	805063686	/nfs/dbraw/zinc/06/36/86/805063686.db2.gz	MBNFTSOOISGSTQ-OKZBNKHCSA-N	1	0	370.453	1.014	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCO[C@H]3c3cnn(C)c3)[C@@H]2C1	ZINC000978281191	805333510	/nfs/dbraw/zinc/33/35/10/805333510.db2.gz	KUENADIBCYIROB-QQXKLLMISA-N	1	0	358.486	1.758	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC000978296598	805346798	/nfs/dbraw/zinc/34/67/98/805346798.db2.gz	UINOXOZGDJKWCV-FLTXXLLZSA-N	1	0	355.438	1.156	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCc2cnn(C)c2)C1	ZINC001027613651	805380873	/nfs/dbraw/zinc/38/08/73/805380873.db2.gz	ZUUQZHSBVSVIMB-QYZOEREBSA-N	1	0	360.502	1.867	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)C[NH+]1CCC(C)CC1	ZINC000978433219	805441518	/nfs/dbraw/zinc/44/15/18/805441518.db2.gz	MUOYILSVKKNUHL-KURKYZTESA-N	1	0	363.502	1.369	20	30		FDEDRO
C[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1	ZINC000423519731	815109891	/nfs/dbraw/zinc/10/98/91/815109891.db2.gz	DNFIWIWRNWVWGH-QZTJIDSGSA-N	1	0	354.454	1.495	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC[C@H]1[NH3+]	ZINC000423519654	815110021	/nfs/dbraw/zinc/11/00/21/815110021.db2.gz	DJTPXYWWFGCIHR-BZZMCLGOSA-N	1	0	354.454	1.480	20	30		FDEDRO
C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1	ZINC000423527463	815114077	/nfs/dbraw/zinc/11/40/77/815114077.db2.gz	MNDBHNLNSTVEOR-WDSOQIARSA-N	1	0	368.481	1.743	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1	ZINC000981053313	807465447	/nfs/dbraw/zinc/46/54/47/807465447.db2.gz	GSKSYJIKHQGWEN-BBWFWOEESA-N	1	0	358.486	1.783	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3cc[nH]c3C)C2)CC1	ZINC000981130906	807591339	/nfs/dbraw/zinc/59/13/39/807591339.db2.gz	RCPJITALIOXXKX-FUHWJXTLSA-N	1	0	370.497	1.683	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1	ZINC000423569540	815139521	/nfs/dbraw/zinc/13/95/21/815139521.db2.gz	YDLGQGSYDRVVDU-DNVCBOLYSA-N	1	0	366.465	1.760	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1	ZINC000981194530	807699908	/nfs/dbraw/zinc/69/99/08/807699908.db2.gz	GKGQTURSAUSUEC-LESCRADOSA-N	1	0	371.485	1.775	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)c(F)c1	ZINC000423636109	815172349	/nfs/dbraw/zinc/17/23/49/815172349.db2.gz	FUXVCQJEWHOBFT-CQSZACIVSA-N	1	0	374.416	1.017	20	30		FDEDRO
CCCN(C(=O)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)[C@@H]1CC[NH2+]C1	ZINC000423643013	815175459	/nfs/dbraw/zinc/17/54/59/815175459.db2.gz	CLBULZAYTQPYAO-MSOLQXFVSA-N	1	0	370.453	1.059	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)CC1	ZINC000981544900	808116091	/nfs/dbraw/zinc/11/60/91/808116091.db2.gz	VKUJMTSNYYWNRE-LFAQGZIKSA-N	1	0	371.525	1.779	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1	ZINC000981582795	808183145	/nfs/dbraw/zinc/18/31/45/808183145.db2.gz	JFWRECJIJQNCCW-YESZJQIVSA-N	1	0	358.486	1.641	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)Cc2ccoc2)C1	ZINC000981625963	808256574	/nfs/dbraw/zinc/25/65/74/808256574.db2.gz	WMJFOYLHUAHFIP-JQHSSLGASA-N	1	0	357.454	1.321	20	30		FDEDRO
COC[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1CCCO1	ZINC000279071984	808270913	/nfs/dbraw/zinc/27/09/13/808270913.db2.gz	MUSONBJXBSMNJJ-DLBZAZTESA-N	1	0	369.425	1.466	20	30		FDEDRO
C[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)CC1	ZINC000981650337	808275750	/nfs/dbraw/zinc/27/57/50/808275750.db2.gz	CKHVCHSLTRHUAP-DZGCQCFKSA-N	1	0	357.458	1.243	20	30		FDEDRO
N#Cc1cccc(-c2cc(C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)on2)c1	ZINC000279107869	808380489	/nfs/dbraw/zinc/38/04/89/808380489.db2.gz	UPEXEDBRYPUCAX-INIZCTEOSA-N	1	0	367.409	1.283	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1	ZINC000423702056	815201064	/nfs/dbraw/zinc/20/10/64/815201064.db2.gz	XPEIUROZALDDPL-XOYOTBSWSA-N	1	0	354.454	1.480	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CC)C[C@H]1c1ccccc1	ZINC001211702953	808880956	/nfs/dbraw/zinc/88/09/56/808880956.db2.gz	MSMLGZMRWZDFND-HSALFYBXSA-N	1	0	367.493	1.995	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1cccc(C#N)c1	ZINC000279317492	808918952	/nfs/dbraw/zinc/91/89/52/808918952.db2.gz	OHJRVLBYHWSAFA-CQSZACIVSA-N	1	0	356.426	1.208	20	30		FDEDRO
C[C@@H](CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[N@H+](C)C1CC1	ZINC000504450582	815248824	/nfs/dbraw/zinc/24/88/24/815248824.db2.gz	LMXXRRWUQPULCW-KSSFIOAISA-N	1	0	369.469	1.836	20	30		FDEDRO
C[C@H](CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[N@H+](C)C1CC1	ZINC000504450581	815249040	/nfs/dbraw/zinc/24/90/40/815249040.db2.gz	LMXXRRWUQPULCW-KDOFPFPSSA-N	1	0	369.469	1.836	20	30		FDEDRO
C[C@@H](CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[N@H+](C)C1CC1	ZINC000504450579	815249145	/nfs/dbraw/zinc/24/91/45/815249145.db2.gz	LMXXRRWUQPULCW-KBXCAEBGSA-N	1	0	369.469	1.836	20	30		FDEDRO
CC[C@H](CO)[NH+]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1	ZINC000279476704	809016508	/nfs/dbraw/zinc/01/65/08/809016508.db2.gz	WGPWUFFLYKOQCV-LJQANCHMSA-N	1	0	368.485	1.747	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2C)C[C@H]1c1ccccc1	ZINC001211715785	809150114	/nfs/dbraw/zinc/15/01/14/809150114.db2.gz	OJFXWYWJXLPRAJ-IPMKNSEASA-N	1	0	353.466	1.605	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1	ZINC000418739573	809178944	/nfs/dbraw/zinc/17/89/44/809178944.db2.gz	YXJSRIFKKAZEHY-KFWWJZLASA-N	1	0	357.462	1.086	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C(=O)NCCSCc2ccccc2C#N)C[C@H]1C[NH3+]	ZINC000418922265	809316627	/nfs/dbraw/zinc/31/66/27/809316627.db2.gz	MSHNAPLRWSNFPR-RHSMWYFYSA-N	1	0	374.510	1.351	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)N1CCN(C(=O)C(C)C)CC1	ZINC000261669753	809410601	/nfs/dbraw/zinc/41/06/01/809410601.db2.gz	GPZNTADSMQURPB-GVDBMIGSSA-N	1	0	362.518	1.710	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1	ZINC000410639420	809548938	/nfs/dbraw/zinc/54/89/38/809548938.db2.gz	GNJUNMREAUTUDN-UHFFFAOYSA-N	1	0	374.485	1.944	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H](C)C[NH2+]1	ZINC000419107149	809564489	/nfs/dbraw/zinc/56/44/89/809564489.db2.gz	DVFSXROQDIJZNU-CHWSQXEVSA-N	1	0	367.371	1.382	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C(=O)NCc3ccccc3)C2)CC1	ZINC000843698975	809703273	/nfs/dbraw/zinc/70/32/73/809703273.db2.gz	AFLDLJGTXVNPSK-LJQANCHMSA-N	1	0	353.466	1.497	20	30		FDEDRO
CC(C)(C(=O)N1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1)c1ccccc1	ZINC000424096883	815310708	/nfs/dbraw/zinc/31/07/08/815310708.db2.gz	YVUMQNOHKLTIAZ-QGZVFWFLSA-N	1	0	356.470	1.656	20	30		FDEDRO
C=CCn1cc(CNC(=O)Nc2ccccc2N2CC[NH+](CC)CC2)nn1	ZINC000424106046	815311484	/nfs/dbraw/zinc/31/14/84/815311484.db2.gz	LCCNUFGSBOSSGE-UHFFFAOYSA-N	1	0	369.473	1.928	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(CCCOc2ccc(C#N)cc2)CC1	ZINC000728929896	809764811	/nfs/dbraw/zinc/76/48/11/809764811.db2.gz	CGCPMIUIFAQKHR-UHFFFAOYSA-N	1	0	358.486	1.813	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1	ZINC001087443116	809770384	/nfs/dbraw/zinc/77/03/84/809770384.db2.gz	UZSKXNVVDCGOSM-NVXWUHKLSA-N	1	0	368.437	1.260	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CN(CC)CCO2)C1	ZINC001087444007	809807090	/nfs/dbraw/zinc/80/70/90/809807090.db2.gz	RLTKDVIYHDCZMZ-AQNXPRMDSA-N	1	0	357.498	1.867	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1	ZINC000424185128	815320134	/nfs/dbraw/zinc/32/01/34/815320134.db2.gz	FJIHKOWHCWISDU-CABCVRRESA-N	1	0	356.405	1.536	20	30		FDEDRO
COc1cc(CN2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)cc(OC)c1	ZINC000424158561	815320209	/nfs/dbraw/zinc/32/02/09/815320209.db2.gz	TVSUSTCSMAWDOO-SFHVURJKSA-N	1	0	360.458	1.369	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2nn(CC)nc2C)C[C@H]1c1ccccc1	ZINC001211736517	809922559	/nfs/dbraw/zinc/92/25/59/809922559.db2.gz	VXTVCWQDADAVLV-ZWKOTPCHSA-N	1	0	351.454	1.828	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)C[C@H]1c1ccccc1	ZINC001211736313	809926393	/nfs/dbraw/zinc/92/63/93/809926393.db2.gz	RAEYRWCJZIRZKZ-KSZLIROESA-N	1	0	354.454	1.137	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C	ZINC000509786231	810179441	/nfs/dbraw/zinc/17/94/41/810179441.db2.gz	AOLJZUZHVXPSLM-BBRMVZONSA-N	1	0	356.426	1.591	20	30		FDEDRO
C#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cn(CC=C)nn2)C1	ZINC001087459242	810431394	/nfs/dbraw/zinc/43/13/94/810431394.db2.gz	VOPDPJIBZGCTOE-QZTJIDSGSA-N	1	0	367.428	1.824	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN(Cc2nnnn2C(C)C)C1	ZINC001028549678	810619100	/nfs/dbraw/zinc/61/91/00/810619100.db2.gz	UUXLGOPZKLUASM-OAGGEKHMSA-N	1	0	362.478	1.173	20	30		FDEDRO
C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)C[C@@]2(C)C1	ZINC000982639940	810676660	/nfs/dbraw/zinc/67/66/60/810676660.db2.gz	CTEFXJKCPLRALR-LFGUQSLTSA-N	1	0	356.470	1.092	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)C(C)(C)C[NH+]2CCCC2)CC1	ZINC000419374776	810737209	/nfs/dbraw/zinc/73/72/09/810737209.db2.gz	PEWLHIDMXCMNRA-GOSISDBHSA-N	1	0	363.550	1.485	20	30		FDEDRO
C[NH+]=C(NCc1nnc(C)n1C)N[C@@H]1CCN(c2c(F)cccc2F)C1	ZINC000261769834	810799057	/nfs/dbraw/zinc/79/90/57/810799057.db2.gz	NWPOWBJAHFFYTJ-GFCCVEGCSA-N	1	0	363.416	1.346	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@@H+](C[C@H](O)c4ccc(F)cc4)C[C@H]32)c1	ZINC001075658435	810907841	/nfs/dbraw/zinc/90/78/41/810907841.db2.gz	BTDVUKJEGPMZGJ-IPELMVKDSA-N	1	0	368.412	1.905	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N1CCN(c2ncccn2)CC1	ZINC000261607960	811284217	/nfs/dbraw/zinc/28/42/17/811284217.db2.gz	DYNOBJHMBGPFOW-ARFHVFGLSA-N	1	0	356.474	1.132	20	30		FDEDRO
C[NH+]=C(N[C@@H]1C[C@@H]1Cc1ccccc1)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000261613181	811285055	/nfs/dbraw/zinc/28/50/55/811285055.db2.gz	AKWWEHBZXCREMA-SLFFLAALSA-N	1	0	356.514	1.847	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC#Cc2cccc(F)c2)CC1=O	ZINC000513212935	811289226	/nfs/dbraw/zinc/28/92/26/811289226.db2.gz	BDBZCTXRCCUPIL-IEBWSBKVSA-N	1	0	371.456	1.626	20	30		FDEDRO
C[NH+]=C(NCc1cnc(N(C)C)n1C)N1CC[C@H](C)[C@@H](n2ccnc2)C1	ZINC000261663514	811293720	/nfs/dbraw/zinc/29/37/20/811293720.db2.gz	BALWQFMZRXGCOY-HOCLYGCPSA-N	1	0	358.494	1.341	20	30		FDEDRO
C[NH+]=C(NCc1cn2ccccc2n1)N1CCN([C@@H](C)C(F)(F)F)CC1	ZINC000261673378	811295997	/nfs/dbraw/zinc/29/59/97/811295997.db2.gz	CCVLCSDYKHNSCN-ZDUSSCGKSA-N	1	0	368.407	1.978	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCC2)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1	ZINC000261682595	811296989	/nfs/dbraw/zinc/29/69/89/811296989.db2.gz	DGDALERBGVBCIX-BBRMVZONSA-N	1	0	372.448	1.901	20	30		FDEDRO
C[NH+]=C(NC[C@]1(O)CCc2ccccc21)N1CCO[C@H](c2cnn(C)c2)C1	ZINC000261768545	811316721	/nfs/dbraw/zinc/31/67/21/811316721.db2.gz	NUGVKFHLCUQVGI-AZUAARDMSA-N	1	0	369.469	1.203	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N1CCO[C@H](c2cnn(C)c2)C1	ZINC000261792888	811321148	/nfs/dbraw/zinc/32/11/48/811321148.db2.gz	QPZUEMPOUCWDKW-YRPNKDGESA-N	1	0	365.481	1.955	20	30		FDEDRO
CNC(=O)CC1CCN(C(NCc2cn(C)nc2C(F)(F)F)=[NH+]C)CC1	ZINC000261801723	811322462	/nfs/dbraw/zinc/32/24/62/811322462.db2.gz	RNEIPDLSFKYAOV-UHFFFAOYSA-N	1	0	374.411	1.362	20	30		FDEDRO
C[NH+]=C(NCc1cn2ccccc2n1)N1CCO[C@@H](c2cnn(C)c2)C1	ZINC000261810983	811324406	/nfs/dbraw/zinc/32/44/06/811324406.db2.gz	SOKNEFYQFWGHTQ-MRXNPFEDSA-N	1	0	353.430	1.217	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCCCC2)N1CCN(c2cccs2)CC1	ZINC000261859441	811333355	/nfs/dbraw/zinc/33/33/55/811333355.db2.gz	ZBSHIJDGSVBJML-UHFFFAOYSA-N	1	0	373.530	1.964	20	30		FDEDRO
CC[NH+]=C(NCc1cc2c(cc1OC)C[C@H](C)O2)N[C@H]1CCC(=O)N(C)C1	ZINC000261916304	811343697	/nfs/dbraw/zinc/34/36/97/811343697.db2.gz	YXBABCXTWWRYLR-BBRMVZONSA-N	1	0	374.485	1.695	20	30		FDEDRO
C[NH+]=C(NCc1nnc(C)n1C)N[C@H]1CCN(c2ccccc2OC)C1	ZINC000261942690	811349503	/nfs/dbraw/zinc/34/95/03/811349503.db2.gz	DWLGIUYDVLRXQJ-AWEZNQCLSA-N	1	0	357.462	1.076	20	30		FDEDRO
CCC(=O)N1CC[C@@H](NC(NCc2nc(-c3ccccc3)c[nH]2)=[NH+]C)C1	ZINC000261948281	811350577	/nfs/dbraw/zinc/35/05/77/811350577.db2.gz	GOFWZVDYYKFFCR-OAHLLOKOSA-N	1	0	354.458	1.753	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N1CC[C@@H](C)[C@H](n2ccnc2)C1	ZINC000261959672	811353868	/nfs/dbraw/zinc/35/38/68/811353868.db2.gz	JTDUNXHQHJCGCF-HYVNUMGLSA-N	1	0	370.505	1.504	20	30		FDEDRO
C[NH+]=C(NCc1cn2c(n1)CCCC2)N1CC[C@@H](Oc2ccccn2)C1	ZINC000261987260	811362067	/nfs/dbraw/zinc/36/20/67/811362067.db2.gz	QLGWHIMXUIGPMX-MRXNPFEDSA-N	1	0	354.458	1.843	20	30		FDEDRO
C[NH+]=C(NCc1cccc(N(C)C)n1)N1CC[C@H](Oc2ccccn2)C1	ZINC000262008490	811366291	/nfs/dbraw/zinc/36/62/91/811366291.db2.gz	WCTQGGAXWFGUBO-INIZCTEOSA-N	1	0	354.458	1.771	20	30		FDEDRO
C[NH+]=C(NCC(=O)N1CCc2ccccc21)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000262306822	811436885	/nfs/dbraw/zinc/43/68/85/811436885.db2.gz	ATAUSTXPQGHORI-MRXNPFEDSA-N	1	0	366.469	1.374	20	30		FDEDRO
C[NH+]=C(NCc1ccc(C(N)=O)o1)N[C@@H]1CCCN(c2cccc(F)c2)C1	ZINC000262389087	811455935	/nfs/dbraw/zinc/45/59/35/811455935.db2.gz	LTIBOIPCQYYYTK-CQSZACIVSA-N	1	0	373.432	1.852	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1	ZINC000280003632	811694900	/nfs/dbraw/zinc/69/49/00/811694900.db2.gz	LIAPBNZUKDGGRC-VQIMIIECSA-N	1	0	366.465	1.952	20	30		FDEDRO
[NH3+]CCCN(Cc1ccccc1)C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000280124111	811726644	/nfs/dbraw/zinc/72/66/44/811726644.db2.gz	ONSMKNFQFSGSHC-HNENSFHCSA-N	1	0	356.426	1.281	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC[N@H+]1CC=CCC1	ZINC000280228456	811753270	/nfs/dbraw/zinc/75/32/70/811753270.db2.gz	LWPWZVSWMUFRJQ-UHFFFAOYSA-N	1	0	352.442	1.529	20	30		FDEDRO
C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCC1(C#N)CCC1	ZINC000419619203	812043809	/nfs/dbraw/zinc/04/38/09/812043809.db2.gz	AYQAWMHFFCAATQ-KRWDZBQOSA-N	1	0	371.485	1.269	20	30		FDEDRO
N#Cc1ccccc1-c1ccc(CNC(=O)C(=O)NC2CC[NH2+]CC2)cc1	ZINC000419648244	812073016	/nfs/dbraw/zinc/07/30/16/812073016.db2.gz	RGZJVTHEMWENSB-UHFFFAOYSA-N	1	0	362.433	1.710	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C[C@H](C)O1	ZINC000280762269	812216927	/nfs/dbraw/zinc/21/69/27/812216927.db2.gz	ISPRFUAIVOHHEY-JTDSTZFVSA-N	1	0	354.454	1.856	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)cc2C1=O	ZINC000434420198	815564182	/nfs/dbraw/zinc/56/41/82/815564182.db2.gz	DTGZYFZMYNOQSH-OAHLLOKOSA-N	1	0	371.437	1.045	20	30		FDEDRO
N#Cc1cccc([C@@H]2CN(C(=O)C(=O)N[C@H]3CCCC[C@H]3C[NH3+])CCO2)c1	ZINC000420010662	813394158	/nfs/dbraw/zinc/39/41/58/813394158.db2.gz	FUKVLQBAGFXZIU-BZSNNMDCSA-N	1	0	370.453	1.092	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1	ZINC000420056099	813410409	/nfs/dbraw/zinc/41/04/09/813410409.db2.gz	AZOGTXFMGVVFGR-GOSISDBHSA-N	1	0	356.470	1.929	20	30		FDEDRO
C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000420102158	813457681	/nfs/dbraw/zinc/45/76/81/813457681.db2.gz	NJTSGGGSHAKVPR-RDTXWAMCSA-N	1	0	370.453	1.042	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCNC(=O)C4)[C@@H]3C2)cc1	ZINC001075683727	813671487	/nfs/dbraw/zinc/67/14/87/813671487.db2.gz	IWGGZEJUOCPGOK-OKZBNKHCSA-N	1	0	352.438	1.117	20	30		FDEDRO
N#Cc1cccc(CCNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1	ZINC000366992082	814210493	/nfs/dbraw/zinc/21/04/93/814210493.db2.gz	WNFHUJVDVAGRRC-IBGZPJMESA-N	1	0	356.470	1.855	20	30		FDEDRO
Cc1cc(CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n(C)n1	ZINC000422081154	814382899	/nfs/dbraw/zinc/38/28/99/814382899.db2.gz	CDGXKSVXWWVUKW-UHFFFAOYSA-N	1	0	351.454	1.877	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)CC1	ZINC000271798955	814481012	/nfs/dbraw/zinc/48/10/12/814481012.db2.gz	OSMFAJXMFGZIDM-IBGZPJMESA-N	1	0	365.481	1.829	20	30		FDEDRO
N#CCCCNC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000273072571	814786981	/nfs/dbraw/zinc/78/69/81/814786981.db2.gz	JOJUDATWSPSRKW-QGZVFWFLSA-N	1	0	357.458	1.487	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1N1CCN(C(=O)NCCCC#N)CC1	ZINC000273542873	814796556	/nfs/dbraw/zinc/79/65/56/814796556.db2.gz	LNDYFGSXHKJMMO-UHFFFAOYSA-N	1	0	359.474	1.762	20	30		FDEDRO
Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)CC#N)c1	ZINC000422482741	814824041	/nfs/dbraw/zinc/82/40/41/814824041.db2.gz	SOMXOKYUSVXNNM-UHFFFAOYSA-N	1	0	358.486	1.941	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cccc(C(N)=O)c2)C1	ZINC001028808901	815787813	/nfs/dbraw/zinc/78/78/13/815787813.db2.gz	GXZLAIDRRKMYCU-NXHRZFHOSA-N	1	0	357.454	1.315	20	30		FDEDRO
C=CC[C@H](CO)CNC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C	ZINC000434825478	815798434	/nfs/dbraw/zinc/79/84/34/815798434.db2.gz	BWYWTXKLLHEOMB-BBRMVZONSA-N	1	0	361.442	1.311	20	30		FDEDRO
COc1cc(C(=O)N2CC[C@H]3CN(Cc4ccccc4C#N)C[C@H]32)on1	ZINC001075712139	815833083	/nfs/dbraw/zinc/83/30/83/815833083.db2.gz	MUESUUMGUVALPJ-JKSUJKDBSA-N	1	0	352.394	1.901	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N(C)CCC#N)cc(N2CC[NH+](C(C)C)CC2)c1	ZINC000283449338	816015051	/nfs/dbraw/zinc/01/50/51/816015051.db2.gz	ZIQBJZAYUBFSIC-UHFFFAOYSA-N	1	0	371.485	1.836	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000514919020	816033156	/nfs/dbraw/zinc/03/31/56/816033156.db2.gz	UJMGHXJUNHWPKA-MKXGPGLRSA-N	1	0	359.470	1.512	20	30		FDEDRO
C=CCn1cc(CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)nn1	ZINC000425499943	816381470	/nfs/dbraw/zinc/38/14/70/816381470.db2.gz	CHLHDOOAMGOIAL-MAUKXSAKSA-N	1	0	354.458	1.784	20	30		FDEDRO
C=CCN1CC[C@H](N2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)OC)C2)C1=O	ZINC000425510611	816406506	/nfs/dbraw/zinc/40/65/06/816406506.db2.gz	NAHAPDHFBMNWTK-UXLLHSPISA-N	1	0	364.392	1.940	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)NCCCN1CC[NH+](CC)CC1	ZINC000505883772	816730752	/nfs/dbraw/zinc/73/07/52/816730752.db2.gz	SULODUPCFXNEGR-UHFFFAOYSA-N	1	0	372.513	1.888	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000425855056	817240080	/nfs/dbraw/zinc/24/00/80/817240080.db2.gz	LQIZDRPRZGJENU-IRFCIJBXSA-N	1	0	373.497	1.856	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1	ZINC000425877476	817281910	/nfs/dbraw/zinc/28/19/10/817281910.db2.gz	WSHCALYRXPCYRP-BDXSIMOUSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000425909904	817364868	/nfs/dbraw/zinc/36/48/68/817364868.db2.gz	ROUCFVPOSRFRHY-FHWLQOOXSA-N	1	0	371.481	1.427	20	30		FDEDRO
CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CSCC#N)C1	ZINC001111601364	817642304	/nfs/dbraw/zinc/64/23/04/817642304.db2.gz	XVJVWPBSDZFVTM-VBQJREDUSA-N	1	0	352.504	1.258	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1	ZINC000426141789	817701883	/nfs/dbraw/zinc/70/18/83/817701883.db2.gz	TWOWDBFZUSEGOL-CQSZACIVSA-N	1	0	368.359	1.175	20	30		FDEDRO
C[C@]1(C#N)CN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCO1	ZINC000894437328	818055176	/nfs/dbraw/zinc/05/51/76/818055176.db2.gz	NNJTVBFJUOIXRD-ICSRJNTNSA-N	1	0	372.469	1.602	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CCC(=O)N2C)C1	ZINC001087475384	818323866	/nfs/dbraw/zinc/32/38/66/818323866.db2.gz	FFNISYSERVXMRD-GBESFXJTSA-N	1	0	371.481	1.776	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cn(C(C)C)nn2)C1	ZINC000983699940	818612317	/nfs/dbraw/zinc/61/23/17/818612317.db2.gz	ZSFHNUKTZAKIJE-AHCXZYCDSA-N	1	0	361.490	1.825	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]Cc2ncnn2C)CC1	ZINC001029102376	818612384	/nfs/dbraw/zinc/61/23/84/818612384.db2.gz	YQAKQXHGBYSDGV-UAGQMJEPSA-N	1	0	361.490	1.513	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1	ZINC000507278712	818708118	/nfs/dbraw/zinc/70/81/18/818708118.db2.gz	IYYVJRKTCDCYMM-SFHVURJKSA-N	1	0	367.490	1.600	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)COc2cccc(N3CCCC3=O)c2)CC1	ZINC000520246331	819274327	/nfs/dbraw/zinc/27/43/27/819274327.db2.gz	ALWWZQMASXEYOA-UHFFFAOYSA-N	1	0	356.426	1.296	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1	ZINC000520317627	819302318	/nfs/dbraw/zinc/30/23/18/819302318.db2.gz	DUQCGGIBFCPXMT-KRWDZBQOSA-N	1	0	366.469	1.846	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]CCOC[C@H]1CCCO1	ZINC001167990787	819397167	/nfs/dbraw/zinc/39/71/67/819397167.db2.gz	BXJLMAJKHCSFBK-SQNIBIBYSA-N	1	0	354.491	1.649	20	30		FDEDRO
COc1cc(OC)c2ncc(C#N)c(N3CC[C@@](O)(C[NH+](C)C)C3)c2c1	ZINC000895009557	819460502	/nfs/dbraw/zinc/46/05/02/819460502.db2.gz	BTUNMSZGHWXMSP-LJQANCHMSA-N	1	0	356.426	1.626	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccc(C)n3C)[C@H]2CC)C1=O	ZINC001087501654	819490362	/nfs/dbraw/zinc/49/03/62/819490362.db2.gz	STAASYMRWZSGDI-JZXOWHBKSA-N	1	0	358.486	1.703	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCC(F)(F)C2)CC1	ZINC000328654263	819523671	/nfs/dbraw/zinc/52/36/71/819523671.db2.gz	COUTWBGKEWMUGF-HUUCEWRRSA-N	1	0	372.460	1.964	20	30		FDEDRO
Cc1c(CNC(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)cnn1C	ZINC000328807203	819551327	/nfs/dbraw/zinc/55/13/27/819551327.db2.gz	CQEUZRNMEVFSIX-UHFFFAOYSA-N	1	0	362.522	1.633	20	30		FDEDRO
Cn1ccnc1[C@@H]1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1	ZINC000328783383	819556054	/nfs/dbraw/zinc/55/60/54/819556054.db2.gz	NMFIMRYMGZTCFK-HZPDHXFCSA-N	1	0	361.490	1.624	20	30		FDEDRO
O=C(NCCc1cnc(C2CC2)nc1)N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000328881711	819575743	/nfs/dbraw/zinc/57/57/43/819575743.db2.gz	WQETWHXZMXWZSG-MRXNPFEDSA-N	1	0	359.474	1.465	20	30		FDEDRO
C[C@@H]1CN(c2ccc(NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)cn2)C[C@H](C)O1	ZINC000328936437	819583811	/nfs/dbraw/zinc/58/38/11/819583811.db2.gz	QUVRISJRXOZTIC-HLLBOEOZSA-N	1	0	359.474	1.673	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2OCCN(CC(=O)Nc3cccc(N4CCCC4=O)c3)[C@@H]2C1	ZINC000328917968	819592926	/nfs/dbraw/zinc/59/29/26/819592926.db2.gz	ACXVLLVPPMVURQ-MSOLQXFVSA-N	1	0	372.469	1.806	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C[C@H]1C	ZINC000330644717	819628289	/nfs/dbraw/zinc/62/82/89/819628289.db2.gz	KQQOMQMMOPLABR-QYZOEREBSA-N	1	0	363.550	1.483	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1C(=O)Cc3ccccc31)C2	ZINC001112536059	819631132	/nfs/dbraw/zinc/63/11/32/819631132.db2.gz	NYQGFQVRUMWRHI-UWJYYQICSA-N	1	0	351.450	1.427	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)nc1	ZINC000937443291	819673383	/nfs/dbraw/zinc/67/33/83/819673383.db2.gz	NQYYFLCJPZMNEK-BPQIPLTHSA-N	1	0	368.481	1.514	20	30		FDEDRO
CO[C@@H]1COCC[C@@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000458976769	819759122	/nfs/dbraw/zinc/75/91/22/819759122.db2.gz	DBIUEJYIJDTRNH-RTBURBONSA-N	1	0	374.485	1.683	20	30		FDEDRO
C[NH+]=C(NCc1cc2c(cc1OC)C[C@H](C)O2)N[C@H]1CCN(C2CC2)C1	ZINC000262097713	819761966	/nfs/dbraw/zinc/76/19/66/819761966.db2.gz	ZBRYSEQXZVZXHR-BBRMVZONSA-N	1	0	358.486	1.920	20	30		FDEDRO
C[NH+]=C(NCc1c(C)noc1C)NCc1ccnc(N2CCOCC2)c1	ZINC000179007567	820468905	/nfs/dbraw/zinc/46/89/05/820468905.db2.gz	NNQVUZDJNLXIFA-UHFFFAOYSA-N	1	0	358.446	1.388	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2	ZINC000984043927	820635796	/nfs/dbraw/zinc/63/57/96/820635796.db2.gz	XVHSQYQSWMPXAV-ZACQAIPSSA-N	1	0	360.502	1.765	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	ZINC000508318906	820928587	/nfs/dbraw/zinc/92/85/87/820928587.db2.gz	VZBBBUQZWDZABK-UHFFFAOYSA-N	1	0	374.533	1.488	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C[C@H]1CCNC(=O)CC1	ZINC001087535627	820935828	/nfs/dbraw/zinc/93/58/28/820935828.db2.gz	TTYUFTQLLVLTNC-UKPHBRMFSA-N	1	0	357.458	1.385	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c1C#N	ZINC000441865705	820962525	/nfs/dbraw/zinc/96/25/25/820962525.db2.gz	JSLMVCOYRNGECM-HNNXBMFYSA-N	1	0	358.442	1.014	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1	ZINC000442168861	821074224	/nfs/dbraw/zinc/07/42/24/821074224.db2.gz	KEDARACNJZHMOB-CZUORRHYSA-N	1	0	358.442	1.140	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)CC1	ZINC000366938671	821184627	/nfs/dbraw/zinc/18/46/27/821184627.db2.gz	QOBDUOVADFPQCB-AZUAARDMSA-N	1	0	371.456	1.949	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(N3C(=O)CNC3=O)c2)CC1	ZINC000521590762	821306066	/nfs/dbraw/zinc/30/60/66/821306066.db2.gz	SXPLTQACZFJTQD-UHFFFAOYSA-N	1	0	371.441	1.905	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)Cc2nnc(C)[nH]2)CCN1Cc1ccccc1C#N	ZINC001087568098	821543898	/nfs/dbraw/zinc/54/38/98/821543898.db2.gz	YIDHOAYUECZFGH-DLBZAZTESA-N	1	0	352.442	1.697	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cc1	ZINC000895192655	821648597	/nfs/dbraw/zinc/64/85/97/821648597.db2.gz	JWSIFALBYFHSCY-RBUKOAKNSA-N	1	0	357.454	1.439	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCNC2=O)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087599971	821680201	/nfs/dbraw/zinc/68/02/01/821680201.db2.gz	FIVRSEUUBSEQRZ-VBNZEHGJSA-N	1	0	360.483	1.615	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCNC2=O)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087600481	821682716	/nfs/dbraw/zinc/68/27/16/821682716.db2.gz	WMUKMORYVQWEML-FGTMMUONSA-N	1	0	354.454	1.554	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@]2(C)CCNC(=O)C2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087621588	821776319	/nfs/dbraw/zinc/77/63/19/821776319.db2.gz	AZADWNCNUFTNQX-WAOWUJCRSA-N	1	0	368.481	1.944	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3ccccc3)[C@H]2CC)C1=O	ZINC001087627067	821802041	/nfs/dbraw/zinc/80/20/41/821802041.db2.gz	IUMKIYDPDZSSIC-OTWHNJEPSA-N	1	0	355.482	1.985	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000984256752	821986677	/nfs/dbraw/zinc/98/66/77/821986677.db2.gz	AUCMOQYDLCDCIJ-FVQBIDKESA-N	1	0	357.458	1.290	20	30		FDEDRO
C#CCC1(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)CCOCC1	ZINC000895234817	821995624	/nfs/dbraw/zinc/99/56/24/821995624.db2.gz	GPVIQJBGHNNTRC-RBUKOAKNSA-N	1	0	372.513	1.923	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000984264431	822048550	/nfs/dbraw/zinc/04/85/50/822048550.db2.gz	KYPSAASCEUZRJZ-OKZBNKHCSA-N	1	0	371.485	1.680	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC000984262550	822053298	/nfs/dbraw/zinc/05/32/98/822053298.db2.gz	VQJVOBWUSAQDRR-BPQIPLTHSA-N	1	0	368.481	1.466	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCN(C)C2=O)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087692550	822069549	/nfs/dbraw/zinc/06/95/49/822069549.db2.gz	VWDGMRCFDQDSFT-OKZBNKHCSA-N	1	0	354.454	1.506	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H](N(C)C(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000984303845	822266812	/nfs/dbraw/zinc/26/68/12/822266812.db2.gz	YINQZRPHVUKCHD-SLFFLAALSA-N	1	0	371.525	1.827	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](C)O[C@H](C)[C@H]3C)CC2)o1	ZINC000446061933	828414142	/nfs/dbraw/zinc/41/41/42/828414142.db2.gz	MVFYIXPDOZHDSO-BFHYXJOUSA-N	1	0	361.446	1.001	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CCC[C@@H]3CCOC3)[C@@H]2CC)nn1	ZINC001087754258	822369390	/nfs/dbraw/zinc/36/93/90/822369390.db2.gz	WMFPGMFDIUFESL-SOLBZPMBSA-N	1	0	361.490	1.864	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCC(=O)N2)CC[N@@H+]1CC#Cc1ccc(F)cc1	ZINC001087759088	822373182	/nfs/dbraw/zinc/37/31/82/822373182.db2.gz	BEWRJJOCWCPGMO-CEXWTWQISA-N	1	0	371.456	1.815	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@H]1CC	ZINC001087784542	822439418	/nfs/dbraw/zinc/43/94/18/822439418.db2.gz	KICNYNHASKOJGZ-UONOGXRCSA-N	1	0	350.463	1.252	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnn4cc[nH]c34)[C@H]2CC)C1=O	ZINC001087809674	822468166	/nfs/dbraw/zinc/46/81/66/822468166.db2.gz	FSHCCWDYUCGZHK-XHSDSOJGSA-N	1	0	370.457	1.032	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](CCn2cncn2)[C@@H]1CC	ZINC001087810371	822468877	/nfs/dbraw/zinc/46/88/77/822468877.db2.gz	REERRQABYVZCBX-RBUKOAKNSA-N	1	0	351.454	1.471	20	30		FDEDRO
C=CCCCN(CC)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1	ZINC000895333587	822492741	/nfs/dbraw/zinc/49/27/41/822492741.db2.gz	JLCWBMQCPJYJII-UHFFFAOYSA-N	1	0	352.523	1.781	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)C(C)(C)F)[C@H]2CC)CC1	ZINC000984420201	822516250	/nfs/dbraw/zinc/51/62/50/822516250.db2.gz	GQENENYNVYUFAQ-JKSUJKDBSA-N	1	0	351.466	1.575	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N(C)C2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087841508	822566087	/nfs/dbraw/zinc/56/60/87/822566087.db2.gz	APGBWHDTQVVEQD-HSALFYBXSA-N	1	0	367.493	1.876	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)n2C)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087842832	822570927	/nfs/dbraw/zinc/57/09/27/822570927.db2.gz	NTLLYTHLDCNJKE-DLBZAZTESA-N	1	0	367.453	1.378	20	30		FDEDRO
C[NH+](C)CCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N	ZINC000895470453	822617569	/nfs/dbraw/zinc/61/75/69/822617569.db2.gz	ZNUINANODZTBQM-TXKKKEFDSA-N	1	0	350.463	1.451	20	30		FDEDRO
N#Cc1nc(-c2ccco2)oc1N1CCN(CC[N@@H+]2CCCOCC2)CC1	ZINC000429690113	822640711	/nfs/dbraw/zinc/64/07/11/822640711.db2.gz	QTYSVWSJMNPVQL-UHFFFAOYSA-N	1	0	371.441	1.651	20	30		FDEDRO
COc1ccc(CN2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)cc1C	ZINC001083418720	822645606	/nfs/dbraw/zinc/64/56/06/822645606.db2.gz	XGCRMGGUHXEGGC-SJORKVTESA-N	1	0	354.410	1.179	20	30		FDEDRO
Cn1cnc(CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1	ZINC000895594057	822666985	/nfs/dbraw/zinc/66/69/85/822666985.db2.gz	GOQCNKMTGIEDBU-UHFFFAOYSA-N	1	0	352.442	1.756	20	30		FDEDRO
O=C([C@H]1COCCO1)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001087893342	822745706	/nfs/dbraw/zinc/74/57/06/822745706.db2.gz	FKKSNNQMKDJBCO-HSALFYBXSA-N	1	0	354.450	1.234	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc4oc(=O)n(C)c4c3)CC[C@@H]2C1	ZINC001087909168	823754350	/nfs/dbraw/zinc/75/43/50/823754350.db2.gz	AYTRRAFCDGHJKT-IMJJTQAJSA-N	1	0	368.437	1.571	20	30		FDEDRO
N#Cc1ccccc1N1CCC(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1	ZINC000895991561	823879741	/nfs/dbraw/zinc/87/97/41/823879741.db2.gz	VTEYWJPOALXQLN-GOSISDBHSA-N	1	0	354.454	1.364	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCNC(=O)C4)C[C@@H]3C2)cc1	ZINC001087932704	823971491	/nfs/dbraw/zinc/97/14/91/823971491.db2.gz	JKUNKQYJPYMOQY-OTWHNJEPSA-N	1	0	366.465	1.365	20	30		FDEDRO
COc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]3C2)sn1	ZINC001087938917	824018393	/nfs/dbraw/zinc/01/83/93/824018393.db2.gz	QMGJGUSVGXTGOS-OLZOCXBDSA-N	1	0	371.466	1.946	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)C3C[NH+]([C@@H]4CCOC4)C3)CC2)cc1	ZINC000896161113	824133669	/nfs/dbraw/zinc/13/36/69/824133669.db2.gz	AXAVFHVMKWPHEU-QGZVFWFLSA-N	1	0	355.438	1.649	20	30		FDEDRO
CO[C@H](C[N@@H+]1C[C@@H](NC(=O)CSCC#N)[C@H](OC)C1)c1ccccc1	ZINC001211886636	824156986	/nfs/dbraw/zinc/15/69/86/824156986.db2.gz	RRQCULXFBYVKKY-BRWVUGGUSA-N	1	0	363.483	1.446	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)CO[C@@H]3CCOC3)C[C@@H]2C1	ZINC001087964724	824218096	/nfs/dbraw/zinc/21/80/96/824218096.db2.gz	XXFFFICXHMAREQ-HSALFYBXSA-N	1	0	369.465	1.644	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cn([C@@H](C)COC)nc3C)C[C@@H]2C1	ZINC001087966467	824245958	/nfs/dbraw/zinc/24/59/58/824245958.db2.gz	DRKQCVUNJJSKLL-JQHSSLGASA-N	1	0	358.486	1.816	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3coc(S(C)(=O)=O)c3)C[C@@H]2C1	ZINC001087972146	824300965	/nfs/dbraw/zinc/30/09/65/824300965.db2.gz	OMWUONNQBGVVGN-HIFRSBDPSA-N	1	0	352.456	1.653	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C(F)(F)F)n(C)n3)C[C@@H]2C1	ZINC001087979219	824340973	/nfs/dbraw/zinc/34/09/73/824340973.db2.gz	PUMQBOKOKHKSNK-OLZOCXBDSA-N	1	0	354.376	1.856	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3nc(C)cc3C(F)F)C[C@@H]2C1	ZINC001087979361	824342020	/nfs/dbraw/zinc/34/20/20/824342020.db2.gz	WZIOUXIELVIGNI-CABCVRRESA-N	1	0	350.413	1.933	20	30		FDEDRO
Cc1noc([C@@H]2CN(C(=O)NC3CC[NH+](CC(C)C)CC3)CCN2C)n1	ZINC000329014949	824534154	/nfs/dbraw/zinc/53/41/54/824534154.db2.gz	FXNIQZYSLHRXBE-INIZCTEOSA-N	1	0	364.494	1.701	20	30		FDEDRO
CNC(=O)[C@H]1CN(C(=O)CC[N@@H+]2CCCC[C@H]2C)C[C@@H]1c1cnn(C)c1	ZINC000329020625	824534794	/nfs/dbraw/zinc/53/47/94/824534794.db2.gz	SMWLNXFZVSVNIA-OIISXLGYSA-N	1	0	361.490	1.813	20	30		FDEDRO
C[C@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)[C@H]1C[N@H+](C)CCN1C	ZINC000896542547	824553826	/nfs/dbraw/zinc/55/38/26/824553826.db2.gz	RUEXJUXSKUJCKJ-URLQWDBASA-N	1	0	373.476	1.274	20	30		FDEDRO
CN(C)c1cnc(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)cn1	ZINC000329118621	824602301	/nfs/dbraw/zinc/60/23/01/824602301.db2.gz	VAOGKGNQLNBILI-UHFFFAOYSA-N	1	0	360.506	1.798	20	30		FDEDRO
O=C(N[C@H]1CC(=O)N(c2c(F)cccc2F)C1)[C@@H]1C[N@@H+]2CCN1CCC2	ZINC000329115187	824602346	/nfs/dbraw/zinc/60/23/46/824602346.db2.gz	MNUZVHBWLHNWFW-WFASDCNBSA-N	1	0	364.396	1.417	20	30		FDEDRO
C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CNC(=O)NCc1ccc(F)cc1	ZINC000329121594	824611353	/nfs/dbraw/zinc/61/13/53/824611353.db2.gz	QQKWBFAGRKMPGG-RHSMWYFYSA-N	1	0	362.449	1.915	20	30		FDEDRO
COC[C@@H]1C[C@@H](OC)CN1C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000329140297	824624543	/nfs/dbraw/zinc/62/45/43/824624543.db2.gz	SWVWPIRBULUBPM-ZWKOTPCHSA-N	1	0	368.522	1.195	20	30		FDEDRO
O=C(N[C@H]1COC[C@H]1n1ccnn1)[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000329142061	824625187	/nfs/dbraw/zinc/62/51/87/824625187.db2.gz	USIINPXPUYVHST-BBWFWOEESA-N	1	0	357.414	1.076	20	30		FDEDRO
Cc1ccc(NC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)cc1N1CCNC1=O	ZINC000329150869	824632600	/nfs/dbraw/zinc/63/26/00/824632600.db2.gz	ZTBAFLWLVSEKLW-SJORKVTESA-N	1	0	373.457	1.679	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNC(=O)c2cc3ccccc3c(=O)n2C)CC1	ZINC000329170507	824645083	/nfs/dbraw/zinc/64/50/83/824645083.db2.gz	KBGZKNBJPFBFIE-OAHLLOKOSA-N	1	0	356.470	1.869	20	30		FDEDRO
CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CCCc3c2cnn3C)C1	ZINC000329189601	824654373	/nfs/dbraw/zinc/65/43/73/824654373.db2.gz	PSUXMDQNTRLRHN-YQQAZPJKSA-N	1	0	361.490	1.897	20	30		FDEDRO
O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCOC[C@@H]1[C@H]1CCCO1	ZINC000329238169	824687515	/nfs/dbraw/zinc/68/75/15/824687515.db2.gz	PMNHSMZNUQBHIS-IAGOWNOFSA-N	1	0	367.490	1.425	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000329366460	824756853	/nfs/dbraw/zinc/75/68/53/824756853.db2.gz	KLKSLCKPPKKMFB-QGZVFWFLSA-N	1	0	372.473	1.100	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)[C@@H](C)C1	ZINC000329407122	824774254	/nfs/dbraw/zinc/77/42/54/824774254.db2.gz	ZNZRDIWMKKQRBP-HRCADAONSA-N	1	0	366.506	1.221	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)Cc3n[nH]c4ccccc43)CC2)C1=O	ZINC000329431128	824785574	/nfs/dbraw/zinc/78/55/74/824785574.db2.gz	KKBMXSMJAHHDRR-QGZVFWFLSA-N	1	0	355.442	1.757	20	30		FDEDRO
CN1C(=O)N[C@@]2(CCN(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1=O	ZINC000329430811	824785612	/nfs/dbraw/zinc/78/56/12/824785612.db2.gz	IGEABYWVQVFAPY-DNVCBOLYSA-N	1	0	371.441	1.005	20	30		FDEDRO
COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CC[C@H]([NH+]3CCCC3)[C@H]1C)CC2	ZINC000329465851	824812343	/nfs/dbraw/zinc/81/23/43/824812343.db2.gz	VTOGNPIXJSEORG-KFWWJZLASA-N	1	0	362.478	1.212	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@@H]3CCCCNC3=O)CC2)CC1	ZINC000329507065	824840617	/nfs/dbraw/zinc/84/06/17/824840617.db2.gz	LRXVYBYBFLKRQA-QGZVFWFLSA-N	1	0	365.522	1.900	20	30		FDEDRO
COCCn1cc2c(n1)[C@H](NC(=O)N1CC[C@@H]3CC[N@H+](C)C[C@H]31)CCC2	ZINC000329521088	824851686	/nfs/dbraw/zinc/85/16/86/824851686.db2.gz	OTAUPBRVLCIENT-USXIJHARSA-N	1	0	361.490	1.847	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)[C@@H]1CCCC[N@@H+]1C	ZINC000984789950	824919705	/nfs/dbraw/zinc/91/97/05/824919705.db2.gz	ITZKCNMPXPESOP-BBWFWOEESA-N	1	0	357.458	1.480	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)CC[C@@H]2C1	ZINC001087992948	824956004	/nfs/dbraw/zinc/95/60/04/824956004.db2.gz	SWMCTOSAQJYEFT-BBWFWOEESA-N	1	0	358.486	1.545	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c(C)nc(=O)[nH]c3C)C[C@@H]2C1	ZINC001087993298	824958079	/nfs/dbraw/zinc/95/80/79/824958079.db2.gz	JRJXDNYPSUHZRD-SJORKVTESA-N	1	0	356.470	1.535	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4c3NC(=O)CO4)C[C@@H]2C1	ZINC001087996319	824996932	/nfs/dbraw/zinc/99/69/32/824996932.db2.gz	JKAAVPSHHSQGJS-CABCVRRESA-N	1	0	355.438	1.988	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)CC1	ZINC000329616355	825002237	/nfs/dbraw/zinc/00/22/37/825002237.db2.gz	FOWQBLIAWCICRO-CYBMUJFWSA-N	1	0	362.478	1.129	20	30		FDEDRO
C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC000985650142	828740247	/nfs/dbraw/zinc/74/02/47/828740247.db2.gz	KEJGPLZTKMLDAQ-LSDHHAIUSA-N	1	0	357.882	1.298	20	30		FDEDRO
NC(=O)c1cc([C@@H]2CCCN(CC(=O)NC3CC[NH+](C4CC4)CC3)C2)n[nH]1	ZINC000329673362	825282705	/nfs/dbraw/zinc/28/27/05/825282705.db2.gz	STYLWINXBRLGHV-CYBMUJFWSA-N	1	0	374.489	1.271	20	30		FDEDRO
CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CCO[C@H]1c1ccnn1C	ZINC000329750952	825426174	/nfs/dbraw/zinc/42/61/74/825426174.db2.gz	VGUPYRBNFIWUOV-BVIKNXMNSA-N	1	0	361.490	1.970	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)N3CC(NC(C)=O)C3)cn2)CC1	ZINC000329796884	825460954	/nfs/dbraw/zinc/46/09/54/825460954.db2.gz	FCRLYYVMNWQOAG-UHFFFAOYSA-N	1	0	360.462	1.298	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3OCC(N)=O)C[C@@H]2C1	ZINC001088033913	825489102	/nfs/dbraw/zinc/48/91/02/825489102.db2.gz	IQJINXHYPQFTSI-SJORKVTESA-N	1	0	371.481	1.911	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1	ZINC001088043153	825546449	/nfs/dbraw/zinc/54/64/49/825546449.db2.gz	CFWAXTWPYQZYMV-XDNAFOTISA-N	1	0	363.502	1.546	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CCO[C@@]2(CCOC2)C1	ZINC000329933613	825550433	/nfs/dbraw/zinc/55/04/33/825550433.db2.gz	BQLHBFIUKPICTI-AOIWGVFYSA-N	1	0	367.490	1.160	20	30		FDEDRO
CCC(=O)N1CC[C@@H](NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C1	ZINC000330033270	825606404	/nfs/dbraw/zinc/60/64/04/825606404.db2.gz	VKAQBQVIOCDXHQ-MRXNPFEDSA-N	1	0	365.522	1.060	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)CC1	ZINC000330043233	825608891	/nfs/dbraw/zinc/60/88/91/825608891.db2.gz	FCGXXBGQNPAGFR-WBVHZDCISA-N	1	0	362.478	1.957	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C[C@H](C)O[C@]3(CCOC3)C2)C1	ZINC000330067652	825617890	/nfs/dbraw/zinc/61/78/90/825617890.db2.gz	FTZTZVNLOYZUSF-YQVWRLOYSA-N	1	0	369.506	1.180	20	30		FDEDRO
O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1cn([C@H]2CCOC2)nn1	ZINC000330118120	825651429	/nfs/dbraw/zinc/65/14/29/825651429.db2.gz	YAXCWWVLOGJWBD-INIZCTEOSA-N	1	0	371.441	1.833	20	30		FDEDRO
CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCc2c(ncn(C)c2=O)C1	ZINC000330119084	825651794	/nfs/dbraw/zinc/65/17/94/825651794.db2.gz	ZHZYJARGBHQTKG-HNNXBMFYSA-N	1	0	361.490	1.563	20	30		FDEDRO
CC(=O)N1CCC(CNC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)CC1	ZINC000330206271	825732988	/nfs/dbraw/zinc/73/29/88/825732988.db2.gz	DDAMWKZPQCOTHO-HNNXBMFYSA-N	1	0	366.506	1.344	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1	ZINC000330249714	825765586	/nfs/dbraw/zinc/76/55/86/825765586.db2.gz	GLEGFMJCMVOFNR-GJZGRUSLSA-N	1	0	366.506	1.485	20	30		FDEDRO
C[N@H+]1C[C@H]2CN(C(=O)CNC(=O)c3cc(-c4ccccc4)on3)C[C@H]2C1	ZINC000330296323	825823076	/nfs/dbraw/zinc/82/30/76/825823076.db2.gz	GEFIWPXCPVUBQD-GASCZTMLSA-N	1	0	354.410	1.666	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)ccn1	ZINC000281062678	825868092	/nfs/dbraw/zinc/86/80/92/825868092.db2.gz	CNVCOZRAGPCKOS-IEBWSBKVSA-N	1	0	350.422	1.566	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C)nnc4C)[C@@H]3C2)C1=O	ZINC001075834086	825925244	/nfs/dbraw/zinc/92/52/44/825925244.db2.gz	NYTPZIAUNFZVFR-RYQLBKOJSA-N	1	0	369.469	1.027	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+](C)[C@@H]2CCN(CC=C)C2=O)c(OC)c1	ZINC000281173938	825901497	/nfs/dbraw/zinc/90/14/97/825901497.db2.gz	ALNIUXZZRANWDA-QZTJIDSGSA-N	1	0	374.481	1.882	20	30		FDEDRO
C[C@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(OCC#N)cc1	ZINC000281232194	825918871	/nfs/dbraw/zinc/91/88/71/825918871.db2.gz	UVMZKSLGUHFIKS-KBPBESRZSA-N	1	0	353.426	1.798	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CC[C@@H]1CC[C@H](C2OCCO2)O1	ZINC000896891782	825958829	/nfs/dbraw/zinc/95/88/29/825958829.db2.gz	ZLOCFJIRLJDVEH-JKSUJKDBSA-N	1	0	353.463	1.381	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+](C)C[C@H](O)COc2c(OC)cccc2OC)C1=O	ZINC000281476095	825965755	/nfs/dbraw/zinc/96/57/55/825965755.db2.gz	WGTJADFBHPEQDL-LSDHHAIUSA-N	1	0	364.442	1.162	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)C3CC(C)C3)[C@@H]2CC)CC1	ZINC000984988779	826003244	/nfs/dbraw/zinc/00/32/44/826003244.db2.gz	KJEMNEARTUGMKV-SOTJZCEJSA-N	1	0	359.514	1.873	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3ccco3)[C@@H]2CC)CC1	ZINC000984993429	826042780	/nfs/dbraw/zinc/04/27/80/826042780.db2.gz	ZMNBUBMSJYBDGW-DLBZAZTESA-N	1	0	357.454	1.734	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)C(C)C	ZINC000281569015	826057071	/nfs/dbraw/zinc/05/70/71/826057071.db2.gz	PPSSKEPHVJGVAM-SFHVURJKSA-N	1	0	356.470	1.147	20	30		FDEDRO
CN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000281570250	826061582	/nfs/dbraw/zinc/06/15/82/826061582.db2.gz	XFRABUQLSZYQTN-UHFFFAOYSA-N	1	0	360.462	1.393	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@]4(F)CCOC4)C[C@@H]3C2)c1	ZINC001088080011	826136580	/nfs/dbraw/zinc/13/65/80/826136580.db2.gz	HMIAELZKAWEVQT-HBFSDRIKSA-N	1	0	357.429	1.967	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CCN[C@@]2(CO)CCOc3ccccc32)cc1	ZINC000281691318	826157816	/nfs/dbraw/zinc/15/78/16/826157816.db2.gz	NAQHUTKPDYTUCI-LJQANCHMSA-N	1	0	372.446	1.592	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)CC[C@@H]2C1	ZINC001088092902	826340363	/nfs/dbraw/zinc/34/03/63/826340363.db2.gz	BJIAXVZJCHVHDI-FUHIMQAGSA-N	1	0	363.502	1.228	20	30		FDEDRO
C[C@@]1(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4C#N)CC[C@@H]3C2)CCC(=O)N1	ZINC001088093653	826347628	/nfs/dbraw/zinc/34/76/28/826347628.db2.gz	HGQKKYGSVXSXPY-LQWHRVPQSA-N	1	0	366.465	1.507	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3C[N@H+](Cc4conc4C)CC[C@@H]3C2)c1	ZINC001088099231	826389130	/nfs/dbraw/zinc/38/91/30/826389130.db2.gz	ACBNHXXYNGCCAI-AEFFLSMTSA-N	1	0	350.422	1.953	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccn(C)c(=O)c3)CC[C@@H]2C1	ZINC001088112499	826444825	/nfs/dbraw/zinc/44/48/25/826444825.db2.gz	IXPGPQDWQKEKBE-HCXYKTFWSA-N	1	0	371.481	1.257	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cn(CCC=C)nn2)C[C@H]1C(F)(F)F	ZINC001112176990	826535300	/nfs/dbraw/zinc/53/53/00/826535300.db2.gz	KKKCNXVMPBMEPF-CHWSQXEVSA-N	1	0	355.364	1.470	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4cn(C)nc4C)CC[C@@H]3C2)nn1	ZINC001088133165	826571781	/nfs/dbraw/zinc/57/17/81/826571781.db2.gz	UOELOUSKLZQGLX-WBVHZDCISA-N	1	0	369.473	1.100	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC000985155941	826613475	/nfs/dbraw/zinc/61/34/75/826613475.db2.gz	ZCBVCXBDWXYYKS-DLBZAZTESA-N	1	0	369.469	1.624	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccnn3C)CC[C@@H]2C1	ZINC001088138096	826620277	/nfs/dbraw/zinc/62/02/77/826620277.db2.gz	SSEPADOJJJRMCU-NEPXVJNWSA-N	1	0	358.486	1.682	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3NC(=O)c4ccccc43)C[C@@H]2C1	ZINC001088147018	826737214	/nfs/dbraw/zinc/73/72/14/826737214.db2.gz	GRPWUALCEMRHSR-GJYPPUQNSA-N	1	0	351.450	1.665	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1C[C@@H](OCC)C12CCC2)N1CCN(c2ncccn2)CC1	ZINC000262436465	826799608	/nfs/dbraw/zinc/79/96/08/826799608.db2.gz	TXRUCCNSVAQVSU-IAGOWNOFSA-N	1	0	372.517	1.912	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4nccs4)c3)C[C@@H]2C1	ZINC001088166434	826949001	/nfs/dbraw/zinc/94/90/01/826949001.db2.gz	AUJGQXSJPHNGQR-ZBFHGGJFSA-N	1	0	355.467	1.746	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ncc2Br)CC1	ZINC000928653204	827013743	/nfs/dbraw/zinc/01/37/43/827013743.db2.gz	DFTSXWXYURYQBO-UHFFFAOYSA-N	1	0	367.203	1.580	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+]([C@H](C)C(=O)NC4CC4)CC[C@@H]3C2)nc1	ZINC001088175071	827223520	/nfs/dbraw/zinc/22/35/20/827223520.db2.gz	CXFNQFJOWVZYBR-OIISXLGYSA-N	1	0	366.465	1.124	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+]([C@H]4CCN(CC)C4=O)CC[C@@H]3C2)cn1	ZINC001088175218	827225433	/nfs/dbraw/zinc/22/54/33/827225433.db2.gz	LFMKIXYTAQFJKW-AOIWGVFYSA-N	1	0	366.465	1.078	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CC4CCOCC4)CC[C@@H]3C2)cn1	ZINC001088175656	827227609	/nfs/dbraw/zinc/22/76/09/827227609.db2.gz	HKAPXIQTVZUYSG-MOPGFXCFSA-N	1	0	353.466	1.883	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4cn(C)nc4C)CC[C@@H]3C2)nc1	ZINC001088173996	827255232	/nfs/dbraw/zinc/25/52/32/827255232.db2.gz	CLPRWQDXZPTIHW-MJGOQNOKSA-N	1	0	363.465	1.699	20	30		FDEDRO
O=C(Cn1cncn1)N1C[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)CC[C@@H]2C1	ZINC001088191496	827382457	/nfs/dbraw/zinc/38/24/57/827382457.db2.gz	CLYMLOWILSOPAI-MSOLQXFVSA-N	1	0	367.428	1.249	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)CC2)C1	ZINC001088233917	827597696	/nfs/dbraw/zinc/59/76/96/827597696.db2.gz	CYBRAVCDXUTLEK-BPQIPLTHSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCOC2)C[C@H]1C(F)(F)F	ZINC001112183510	827724138	/nfs/dbraw/zinc/72/41/38/827724138.db2.gz	MJUYWRCQANSDQK-UMVBOHGHSA-N	1	0	350.381	1.595	20	30		FDEDRO
C[C@@H]1CCCN(C(=[NH2+])NCCN2CCN(C(=O)C3CCCCC3)CC2)C1	ZINC000262513249	827775048	/nfs/dbraw/zinc/77/50/48/827775048.db2.gz	FENSVEFDXWZYJK-QGZVFWFLSA-N	1	0	363.550	1.758	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2nnn(C(C)C)c2C)C[C@H]1C(F)(F)F	ZINC001112184775	827861675	/nfs/dbraw/zinc/86/16/75/827861675.db2.gz	FMPBHSHHQFKAHP-CHWSQXEVSA-N	1	0	357.380	1.783	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2cnn(C)c2)C[C@H]1C(F)(F)F	ZINC001112185178	827870822	/nfs/dbraw/zinc/87/08/22/827870822.db2.gz	XVNJUWGDIFKSPW-NWANDNLSSA-N	1	0	356.392	1.601	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(OC)no2)C1	ZINC001029741540	827959322	/nfs/dbraw/zinc/95/93/22/827959322.db2.gz	WLXZMNVGCRWYMD-UAGQMJEPSA-N	1	0	363.458	1.945	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC000985500537	828054567	/nfs/dbraw/zinc/05/45/67/828054567.db2.gz	WLOZATGTJYFZGH-JLJPHGGASA-N	1	0	357.458	1.337	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCc3ccc(CO)cc3)=[NH+]C[C@H]2C1	ZINC000305784742	828091251	/nfs/dbraw/zinc/09/12/51/828091251.db2.gz	XEYPRUWCJDJCRL-KRWDZBQOSA-N	1	0	374.485	1.602	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[C@H]3CC)[C@H]2CC)CC1	ZINC000985545691	828137684	/nfs/dbraw/zinc/13/76/84/828137684.db2.gz	BNRXTVJWPUDDFQ-OQIJWPOYSA-N	1	0	359.514	1.873	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(N(C)Cc2nc(C3CC3)no2)CC1	ZINC000985666437	828885110	/nfs/dbraw/zinc/88/51/10/828885110.db2.gz	JJSZOXRYMJFUDS-CVEARBPZSA-N	1	0	360.458	1.961	20	30		FDEDRO
Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)NC3(C#N)CCC3)C2)n1	ZINC000527297764	829022541	/nfs/dbraw/zinc/02/25/41/829022541.db2.gz	QJDHXJCEGKHAFI-JKSUJKDBSA-N	1	0	369.469	1.992	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1OCC[C@@H]1c1ccccc1	ZINC001168095752	829126411	/nfs/dbraw/zinc/12/64/11/829126411.db2.gz	ZASIEVUXMAOZMD-KBAYOESNSA-N	1	0	359.470	1.346	20	30		FDEDRO
Cc1nn(C)cc1CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000448619850	829192493	/nfs/dbraw/zinc/19/24/93/829192493.db2.gz	AGZXMLTWZYRYFQ-UHFFFAOYSA-N	1	0	351.454	1.877	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]Cc1cnnn1-c1ccccc1	ZINC001168100783	829201987	/nfs/dbraw/zinc/20/19/87/829201987.db2.gz	HJAORUZFRAOQEQ-OALUTQOASA-N	1	0	369.469	1.844	20	30		FDEDRO
CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccc(C#N)n1C	ZINC000448794871	829252412	/nfs/dbraw/zinc/25/24/12/829252412.db2.gz	COAHVYOANQADCK-INIZCTEOSA-N	1	0	360.458	1.776	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC[C@@]2(CO)COCC3(CCC3)N2C)nc1	ZINC000528131785	829272964	/nfs/dbraw/zinc/27/29/64/829272964.db2.gz	LJBFGIBCLWXMEF-LJQANCHMSA-N	1	0	360.458	1.025	20	30		FDEDRO
Cc1cccc2c1ncc(C#N)c2NC[C@]1(CO)COCC2(CCC2)N1C	ZINC000528133891	829274413	/nfs/dbraw/zinc/27/44/13/829274413.db2.gz	QMNKDXMIJOOBFL-NRFANRHFSA-N	1	0	366.465	1.865	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC(c2nccn2C)c2nccn2C)CC1	ZINC000528154650	829278713	/nfs/dbraw/zinc/27/87/13/829278713.db2.gz	HASSOCQFWKGLRD-UHFFFAOYSA-N	1	0	371.489	1.583	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)C[C@@H]4CCC(=O)NC4)[C@@H]3C2)c1	ZINC001075876619	829335059	/nfs/dbraw/zinc/33/50/59/829335059.db2.gz	UCSWCEFDKHCEIJ-YTQUADARSA-N	1	0	366.465	1.507	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CCN1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000528385586	829376837	/nfs/dbraw/zinc/37/68/37/829376837.db2.gz	CSDPTBGUSQOOJP-KRWDZBQOSA-N	1	0	351.450	1.704	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCN2CCCC2=O)C1	ZINC001088385797	829382954	/nfs/dbraw/zinc/38/29/54/829382954.db2.gz	UGMJELSDBGIGRD-KSZLIROESA-N	1	0	363.502	1.561	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1	ZINC000528461636	829415279	/nfs/dbraw/zinc/41/52/79/829415279.db2.gz	BCPMFDHQOALOGN-KGLIPLIRSA-N	1	0	371.359	1.298	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CCN1CC[C@@H]([C@H](O)C(F)(F)F)C1	ZINC000528522279	829435880	/nfs/dbraw/zinc/43/58/80/829435880.db2.gz	VTHZYDQTIQSZJY-DOMZBBRYSA-N	1	0	366.339	1.531	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2	ZINC000528523691	829436851	/nfs/dbraw/zinc/43/68/51/829436851.db2.gz	VLEQEMISSCLNBR-KZNAEPCWSA-N	1	0	350.418	1.833	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N(C)c1nccs1	ZINC001168109493	829526770	/nfs/dbraw/zinc/52/67/70/829526770.db2.gz	ABWQPWLSAVEHDY-ZFWWWQNUSA-N	1	0	366.487	1.183	20	30		FDEDRO
Cn1cc(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c(-c2ccc(C#N)cc2)n1	ZINC000528754316	829549885	/nfs/dbraw/zinc/54/98/85/829549885.db2.gz	JWNRXUFLAJJPJH-BGYRXZFFSA-N	1	0	354.454	1.772	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)N1CCCCCC1	ZINC001168110556	829554965	/nfs/dbraw/zinc/55/49/65/829554965.db2.gz	ZGNXUNGBOLDYHJ-SQNIBIBYSA-N	1	0	365.518	1.855	20	30		FDEDRO
Cc1[nH]c(C#N)cc1C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1	ZINC000449864984	829703008	/nfs/dbraw/zinc/70/30/08/829703008.db2.gz	SLPLZMWBILIVSX-UHFFFAOYSA-N	1	0	352.442	1.614	20	30		FDEDRO
Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000450180955	829846439	/nfs/dbraw/zinc/84/64/39/829846439.db2.gz	NJTYQBRRAJZXHN-VQIMIIECSA-N	1	0	352.438	1.808	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000729808653	837423441	/nfs/dbraw/zinc/42/34/41/837423441.db2.gz	DTROAVZPQSJGGJ-OAHLLOKOSA-N	1	0	350.440	1.191	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1COC(=O)Cn1nc(-c2ccccc2)ccc1=O	ZINC000729812329	837437864	/nfs/dbraw/zinc/43/78/64/837437864.db2.gz	SKEGECTTYUBOJY-KRWDZBQOSA-N	1	0	351.406	1.551	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1ccc(-n2ccnc2)c(F)c1	ZINC000303877613	830333347	/nfs/dbraw/zinc/33/33/47/830333347.db2.gz	ITYKVQBEQKZJTJ-UHFFFAOYSA-N	1	0	360.437	1.138	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1C[C@@H]2CC[N@H+](C)[C@@H]2C1	ZINC000451626496	830407758	/nfs/dbraw/zinc/40/77/58/830407758.db2.gz	FFLDBWJGCRGYNN-FUHWJXTLSA-N	1	0	373.501	1.588	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C1	ZINC000986065983	830471237	/nfs/dbraw/zinc/47/12/37/830471237.db2.gz	FKFLBKAJSAHPMQ-MOPGFXCFSA-N	1	0	369.509	1.583	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]2C1	ZINC000986077042	830543191	/nfs/dbraw/zinc/54/31/91/830543191.db2.gz	AWUUGNAZMKHRCW-MSOLQXFVSA-N	1	0	362.433	1.668	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)NCC#Cc3ccccc3)C2)CC1	ZINC000531585473	830808446	/nfs/dbraw/zinc/80/84/46/830808446.db2.gz	QROGJFRPUPGOKK-HXUWFJFHSA-N	1	0	354.498	1.848	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)c1	ZINC000453680607	831016425	/nfs/dbraw/zinc/01/64/25/831016425.db2.gz	SYCBXUUYENZKRK-UHFFFAOYSA-N	1	0	354.410	1.989	20	30		FDEDRO
CCc1ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc1OC	ZINC000453709692	831035025	/nfs/dbraw/zinc/03/50/25/831035025.db2.gz	NWJQDIDTSLEKMV-UHFFFAOYSA-N	1	0	360.458	1.890	20	30		FDEDRO
C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)C[C@@H](C)C1	ZINC000453762942	831075702	/nfs/dbraw/zinc/07/57/02/831075702.db2.gz	MXMBOAMOJVZTFE-MPGHIAIKSA-N	1	0	354.454	1.880	20	30		FDEDRO
C[NH+](C)[C@@H](C(=O)N1C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CC[C@@H]2C1)C1CC1	ZINC000986261530	831397874	/nfs/dbraw/zinc/39/78/74/831397874.db2.gz	NGBBDGOZOQLLAY-RVKKMQEKSA-N	1	0	369.469	1.147	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)C3(F)CCCC3)[C@H]2C)CC1	ZINC000988809165	837531178	/nfs/dbraw/zinc/53/11/78/837531178.db2.gz	OQDJXYCFQMFLFR-WBVHZDCISA-N	1	0	363.477	1.720	20	30		FDEDRO
C[NH+]=C(NC[C@]1(C)CCCC[C@H]1O)N1CCN(Cc2cc(C)on2)CC1	ZINC000262792843	831459943	/nfs/dbraw/zinc/45/99/43/831459943.db2.gz	OPAFUDQSGTZEOA-MJGOQNOKSA-N	1	0	363.506	1.617	20	30		FDEDRO
C=C1CC(C)(C(=O)N2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@@H]3C2)C1	ZINC000986336248	831472181	/nfs/dbraw/zinc/47/21/81/831472181.db2.gz	HDINOGCKOYWAKZ-MSOLQXFVSA-N	1	0	359.514	1.991	20	30		FDEDRO
CC[C@H](C(=O)N1C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CC[C@@H]2C1)[NH+](C)C	ZINC000986321321	831485114	/nfs/dbraw/zinc/48/51/14/831485114.db2.gz	NHPXSJYNVTUBDZ-JKIFEVAISA-N	1	0	357.458	1.147	20	30		FDEDRO
C=CCOCCCC(=O)NCC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001059730741	831993657	/nfs/dbraw/zinc/99/36/57/831993657.db2.gz	OPFIFAQFAFYHIX-FGTMMUONSA-N	1	0	365.518	1.664	20	30		FDEDRO
C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC000986890775	832291233	/nfs/dbraw/zinc/29/12/33/832291233.db2.gz	QXMUMTYVZIYMQA-PMUMKWKESA-N	1	0	371.485	1.583	20	30		FDEDRO
C[N@@H+](Cc1ccc(C#N)cc1)CC1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1	ZINC001029996634	832333707	/nfs/dbraw/zinc/33/37/07/832333707.db2.gz	FRMGXXPRNZOEFU-MSOLQXFVSA-N	1	0	354.454	1.350	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)[C@H]2CCN(C)C2=O)CC1	ZINC001030002622	832365423	/nfs/dbraw/zinc/36/54/23/832365423.db2.gz	NYHVURNHTHSPFK-BZSNNMDCSA-N	1	0	363.502	1.369	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C[C@H](O)c1ccc(F)cc1	ZINC001088530251	832461966	/nfs/dbraw/zinc/46/19/66/832461966.db2.gz	JGXGNTUBZXHBPE-UUWFMWQGSA-N	1	0	356.401	1.952	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C[C@H]1COc2ccccc2O1	ZINC001088533804	832490422	/nfs/dbraw/zinc/49/04/22/832490422.db2.gz	KIAVXHINFNVRAB-COXVUDFISA-N	1	0	366.421	1.919	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(CC=C)C3=O)C[C@H]21	ZINC001075885218	832517649	/nfs/dbraw/zinc/51/76/49/832517649.db2.gz	LMMZDIFIIGYIPK-QXAKKESOSA-N	1	0	368.481	1.607	20	30		FDEDRO
CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C[C@@H]1C	ZINC000475824926	832606116	/nfs/dbraw/zinc/60/61/16/832606116.db2.gz	KGQCAAJUCACWTP-BXWFABGCSA-N	1	0	368.481	1.990	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3cccs3)[C@H]2C)CC1	ZINC000987263485	832717620	/nfs/dbraw/zinc/71/76/20/832717620.db2.gz	VAEQIEPAHGFGQN-ZBFHGGJFSA-N	1	0	359.495	1.813	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)C[C@@H]3C=CCC3)[C@H]2C)CC1	ZINC000987307814	832804818	/nfs/dbraw/zinc/80/48/18/832804818.db2.gz	PDEXTPFJCGYOPG-LMMKCTJWSA-N	1	0	357.498	1.794	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@H](C)n3cccc3)[C@H]2C)CC1	ZINC000987609707	833478849	/nfs/dbraw/zinc/47/88/49/833478849.db2.gz	AZOGIELBACJKEB-AOIWGVFYSA-N	1	0	370.497	1.500	20	30		FDEDRO
NS(=O)(=O)c1ccc(CCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)cc1	ZINC000262455214	837691282	/nfs/dbraw/zinc/69/12/82/837691282.db2.gz	FDXOHPJXJYEGQR-MRXNPFEDSA-N	1	0	374.466	1.305	20	30		FDEDRO
Cc1nc(-c2nc(CC(=O)N3CCC([NH+](C)C)CC3)no2)ccc1C#N	ZINC000350928284	833726881	/nfs/dbraw/zinc/72/68/81/833726881.db2.gz	SEFUIGSCDKAGRP-UHFFFAOYSA-N	1	0	354.414	1.407	20	30		FDEDRO
C=CCC1(CNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CCCC1	ZINC000453977339	834203148	/nfs/dbraw/zinc/20/31/48/834203148.db2.gz	SJZLQDISPZKXRI-UHFFFAOYSA-N	1	0	353.426	2.459	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C)CC[N@@H+]1C	ZINC000988334647	834391178	/nfs/dbraw/zinc/39/11/78/834391178.db2.gz	BYHTUWIHCNPEMA-VWNJHIHFSA-N	1	0	357.458	1.336	20	30		FDEDRO
C=CCC[C@H](CO)NC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C	ZINC000454060588	834513093	/nfs/dbraw/zinc/51/30/93/834513093.db2.gz	RYAYBMWZTYWNNY-CZUORRHYSA-N	1	0	361.442	1.454	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000359883060	835040222	/nfs/dbraw/zinc/04/02/22/835040222.db2.gz	WYULBDVTKISYFH-IAGOWNOFSA-N	1	0	361.417	1.901	20	30		FDEDRO
C=CCOc1ccccc1C[NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1	ZINC000532931661	835567137	/nfs/dbraw/zinc/56/71/37/835567137.db2.gz	PTWNUPSDWZNOSG-SFHVURJKSA-N	1	0	359.470	1.274	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@@H]1C	ZINC000988495938	835572955	/nfs/dbraw/zinc/57/29/55/835572955.db2.gz	WLCWEYAQDANWFC-KMFMINBZSA-N	1	0	357.458	1.480	20	30		FDEDRO
COCCN(CCO)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1	ZINC000532954057	835590013	/nfs/dbraw/zinc/59/00/13/835590013.db2.gz	MCQOBADRZLKGPJ-UHFFFAOYSA-N	1	0	362.474	1.971	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3occc3CC)[C@@H]2C)CC1	ZINC000988506514	835658688	/nfs/dbraw/zinc/65/86/88/835658688.db2.gz	MZXXANJRHZPGDB-QAPCUYQASA-N	1	0	371.481	1.906	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3coc(C)c3)[C@@H]2C)CC1	ZINC000988506789	835659059	/nfs/dbraw/zinc/65/90/59/835659059.db2.gz	POGUVAORBLJBIV-QAPCUYQASA-N	1	0	357.454	1.652	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3cnccc3C)[C@@H]2C)CC1	ZINC000988507588	835662620	/nfs/dbraw/zinc/66/26/20/835662620.db2.gz	WHOFVDZRBZDYSX-APWZRJJASA-N	1	0	368.481	1.454	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCCCO3)[C@@H]2C)CC1	ZINC000988508006	835664114	/nfs/dbraw/zinc/66/41/14/835664114.db2.gz	YZMNAYGKRIBOQM-BPQIPLTHSA-N	1	0	361.486	1.006	20	30		FDEDRO
C=CCN1CC[C@@H](N2CC[C@H](NC(=O)c3cc(C4CC4)nn3C)[C@H]2C)C1=O	ZINC001088598408	835914150	/nfs/dbraw/zinc/91/41/50/835914150.db2.gz	OXWBFWDIXKWLED-UKPHBRMFSA-N	1	0	371.485	1.277	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC1	ZINC000455269747	835984466	/nfs/dbraw/zinc/98/44/66/835984466.db2.gz	FYSDLKZPUPCEAB-IRXDYDNUSA-N	1	0	366.506	1.838	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C#C)nc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105668975	844116164	/nfs/dbraw/zinc/11/61/64/844116164.db2.gz	NSMHOLISVMSBHR-NXLVEIQXSA-N	1	0	365.477	1.666	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(=O)[nH]c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105669113	844136274	/nfs/dbraw/zinc/13/62/74/844136274.db2.gz	PJIPHLREJNQPHN-CIWUYKSXSA-N	1	0	359.470	1.943	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc(C)c2)C[C@H]1OC	ZINC001212024345	836305821	/nfs/dbraw/zinc/30/58/21/836305821.db2.gz	SJQIQHFYERTTSO-BHIYHBOVSA-N	1	0	362.470	1.516	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](CCOc2cccc(CC)c2)C[C@H]1OC	ZINC001212033309	836322801	/nfs/dbraw/zinc/32/28/01/836322801.db2.gz	GFXNOEKIVJKJKE-RTBURBONSA-N	1	0	362.470	1.646	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc3n[nH]nc3n2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088607669	836531922	/nfs/dbraw/zinc/53/19/22/836531922.db2.gz	KMPFQZXVFNJCFH-DOMZBBRYSA-N	1	0	361.409	1.617	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1	ZINC000937940275	836897217	/nfs/dbraw/zinc/89/72/17/836897217.db2.gz	DVHZIRXTVMOYQW-LNLFQRSKSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1	ZINC000938028454	836992348	/nfs/dbraw/zinc/99/23/48/836992348.db2.gz	MQITWRHUJHVRCM-ULQDDVLXSA-N	1	0	361.486	1.313	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1OC	ZINC001212092962	837109453	/nfs/dbraw/zinc/10/94/53/837109453.db2.gz	ZBFBLGMNUNKHDS-QZTJIDSGSA-N	1	0	354.491	1.601	20	30		FDEDRO
Cc1cc(S(N)(=O)=O)ccc1CNC(=[NH2+])N[C@H]1CCOc2ccccc21	ZINC000262782096	837888019	/nfs/dbraw/zinc/88/80/19/837888019.db2.gz	LGTJBKFIIWLDQT-INIZCTEOSA-N	1	0	374.466	1.571	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](C)OC2(CC[NH+](CCO)CC2)C1	ZINC001098646887	838327006	/nfs/dbraw/zinc/32/70/06/838327006.db2.gz	YRQWDKUKJMSKAQ-ULQDDVLXSA-N	1	0	352.475	1.042	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1	ZINC000271844312	838420435	/nfs/dbraw/zinc/42/04/35/838420435.db2.gz	VEOVIBXYTBQXHS-OLZOCXBDSA-N	1	0	360.414	1.694	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N(C)CCCN1CC[NH+](C)CC1	ZINC000272307938	838433552	/nfs/dbraw/zinc/43/35/52/838433552.db2.gz	FIFRWGBHRRSYOB-UHFFFAOYSA-N	1	0	358.486	1.478	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1	ZINC000989153884	838507618	/nfs/dbraw/zinc/50/76/18/838507618.db2.gz	AFKQQQJQAPSUCZ-VPAKFMSCSA-N	1	0	373.497	1.006	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2)[C@@H]1C	ZINC001088631670	838605859	/nfs/dbraw/zinc/60/58/59/838605859.db2.gz	ZKPVXQUGCWCGQT-BTHPGYMESA-N	1	0	355.482	1.397	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3cnccc3C)[C@H]2C)C1=O	ZINC001088632056	838610337	/nfs/dbraw/zinc/61/03/37/838610337.db2.gz	UUCHPRDLXBBPHP-BPQIPLTHSA-N	1	0	356.470	1.298	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc(=O)n(C)cn2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088633004	838631243	/nfs/dbraw/zinc/63/12/43/838631243.db2.gz	MTFOFHZSFLRJOS-CJNGLKHVSA-N	1	0	351.410	1.045	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C)cc1	ZINC000989211254	838719243	/nfs/dbraw/zinc/71/92/43/838719243.db2.gz	UMZXSJPKUZTWEC-MDZRGWNJSA-N	1	0	353.466	1.729	20	30		FDEDRO
COCCN(CC#N)CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1	ZINC000459537843	838800991	/nfs/dbraw/zinc/80/09/91/838800991.db2.gz	CKUXRNSDEVQNSJ-UHFFFAOYSA-N	1	0	358.486	1.501	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CCN1CC#Cc1ccc(Cl)cc1	ZINC001088793875	844404453	/nfs/dbraw/zinc/40/44/53/844404453.db2.gz	VMVLOMXKSKTLQT-COXVUDFISA-N	1	0	359.857	1.407	20	30		FDEDRO
COc1ccc(CNC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1C#N	ZINC000841864495	839481892	/nfs/dbraw/zinc/48/18/92/839481892.db2.gz	YJNSNIOKKZMFJP-AEFFLSMTSA-N	1	0	358.442	1.605	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3cocc3C)[C@H]2C)CC1	ZINC000989328504	839482635	/nfs/dbraw/zinc/48/26/35/839482635.db2.gz	DYIHOEPGFDOIQD-QAPCUYQASA-N	1	0	357.454	1.652	20	30		FDEDRO
Cc1cc(C#N)nc(N2CCC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001059969018	839550505	/nfs/dbraw/zinc/55/05/05/839550505.db2.gz	YAZILBUSUGZKLT-BFYDXBDKSA-N	1	0	356.474	1.330	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)CC3CC(F)(F)C3)[C@H]2C)C1=O	ZINC001088675073	839603353	/nfs/dbraw/zinc/60/33/53/839603353.db2.gz	BPVLPYGJCGUMQL-VHDGCEQUSA-N	1	0	355.429	1.788	20	30		FDEDRO
CCOC(=O)N1CCC[C@H](C(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)C1	ZINC000760305799	839771045	/nfs/dbraw/zinc/77/10/45/839771045.db2.gz	DUBQDUPDMURVDM-LBPRGKRZSA-N	1	0	362.434	1.240	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C)C1	ZINC000989372923	839775887	/nfs/dbraw/zinc/77/58/87/839775887.db2.gz	UCFHMEASNHVJJE-PVAVHDDUSA-N	1	0	371.485	1.728	20	30		FDEDRO
C#CCOCCC(=O)NC[C@@H]1C[N@@H+](Cc2nc3ccccc3n2C)C[C@H]1C	ZINC001101962012	839783937	/nfs/dbraw/zinc/78/39/37/839783937.db2.gz	QPIYBRIGECSMBF-IAGOWNOFSA-N	1	0	368.481	1.797	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@H]2C)c1	ZINC000989392905	839890758	/nfs/dbraw/zinc/89/07/58/839890758.db2.gz	KKNQSHXIRHRVTJ-HIRMHNASSA-N	1	0	368.481	1.512	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)c2cc([C@H]3CCCN3C)[nH]n2)n1	ZINC000897600623	839908026	/nfs/dbraw/zinc/90/80/26/839908026.db2.gz	NXBSVGKEQNJFRE-GOSISDBHSA-N	1	0	370.457	1.295	20	30		FDEDRO
C[NH+]1CCC(CNC(=S)NC2CCN(c3ccc(C#N)cn3)CC2)CC1	ZINC000760485932	840045532	/nfs/dbraw/zinc/04/55/32/840045532.db2.gz	VCNAFGDLOCVUFA-UHFFFAOYSA-N	1	0	372.542	1.728	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccccc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105588667	840087401	/nfs/dbraw/zinc/08/74/01/840087401.db2.gz	ZLQJDFXKVSTQGU-VMBXEPDQSA-N	1	0	370.493	1.916	20	30		FDEDRO
C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000476192534	840153827	/nfs/dbraw/zinc/15/38/27/840153827.db2.gz	NYJFOWBLDXYKJI-RKVPGOIHSA-N	1	0	354.454	1.600	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3cnn(C)c3C#N)CC2)C[C@H](C)O1	ZINC000476243925	840213825	/nfs/dbraw/zinc/21/38/25/840213825.db2.gz	AYYDATRGBFCCKM-GASCZTMLSA-N	1	0	359.474	1.643	20	30		FDEDRO
C#CCCCNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000897773939	840334653	/nfs/dbraw/zinc/33/46/53/840334653.db2.gz	RGKRMSQBWKUAOI-RBUKOAKNSA-N	1	0	353.466	1.497	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCc4cccnc4)[C@@H]3C2)C1=O	ZINC001075999495	844554742	/nfs/dbraw/zinc/55/47/42/844554742.db2.gz	GNMYSCRKILHMIH-IPMKNSEASA-N	1	0	368.481	1.334	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(CC)([NH+]2CCC2)CC1	ZINC000898044860	840685471	/nfs/dbraw/zinc/68/54/71/840685471.db2.gz	CCAZJRHZOKUMPC-IAGOWNOFSA-N	1	0	363.502	1.561	20	30		FDEDRO
COC(=O)Cn1cc(CO[NH+]=C(N)c2ccc(N3CCCCC3)cc2)nn1	ZINC000842032339	840815476	/nfs/dbraw/zinc/81/54/76/840815476.db2.gz	AZUAWWYNILRVDX-UHFFFAOYSA-N	1	0	372.429	1.279	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(C)C(C)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105601365	841030907	/nfs/dbraw/zinc/03/09/07/841030907.db2.gz	XIZIHQCILXQDHC-XYVMCAHJSA-N	1	0	371.909	1.183	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COC(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105607387	841225605	/nfs/dbraw/zinc/22/56/05/841225605.db2.gz	QGHGHKNJAFLYGY-HNBVOPMISA-N	1	0	366.502	1.027	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CNC(=O)CCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105607862	841236955	/nfs/dbraw/zinc/23/69/55/841236955.db2.gz	ZDPVWLCXYDEWFR-YKCBXCCJSA-N	1	0	365.518	1.445	20	30		FDEDRO
C=CCOCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCOC)C2)[C@H]1C(C)C	ZINC001105610136	841560538	/nfs/dbraw/zinc/56/05/38/841560538.db2.gz	IFRRTCCBUKUNOX-RWQQGDIJSA-N	1	0	354.491	1.192	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCCOC)C2)[C@H]1C(C)C	ZINC001105610798	841715057	/nfs/dbraw/zinc/71/50/57/841715057.db2.gz	NRFJUGVUXJRJDL-HNBVOPMISA-N	1	0	368.518	1.582	20	30		FDEDRO
N#Cc1cccc(CN2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H](O)C2)c1	ZINC001083668267	861231435	/nfs/dbraw/zinc/23/14/35/861231435.db2.gz	JWWIMSLRVDKLOI-HSALFYBXSA-N	1	0	368.481	1.094	20	30		FDEDRO
C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2CCC(C#N)CC2)cc1	ZINC000490400108	861277545	/nfs/dbraw/zinc/27/75/45/861277545.db2.gz	UXDHSYHSRXGLRO-UHFFFAOYSA-N	1	0	371.441	1.277	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)ncn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105619324	842237067	/nfs/dbraw/zinc/23/70/67/842237067.db2.gz	IZDPVZPPSFUIOU-XSYGEPLQSA-N	1	0	358.486	1.941	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnn3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105619502	842237756	/nfs/dbraw/zinc/23/77/56/842237756.db2.gz	MCQBMFHTKDOEQU-LBKNJMOBSA-N	1	0	358.486	1.506	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncn(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105627181	842259842	/nfs/dbraw/zinc/25/98/42/842259842.db2.gz	LJQIKCOKUBXIKV-YKTARERQSA-N	1	0	361.490	1.361	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCOCC)C2)[C@H]1C(C)C	ZINC001105631412	842264356	/nfs/dbraw/zinc/26/43/56/842264356.db2.gz	BQZMMNIQDIUCTA-LFGUQSLTSA-N	1	0	366.502	1.029	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3c[nH]cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105637240	842270887	/nfs/dbraw/zinc/27/08/87/842270887.db2.gz	LWEAXSPLDDNMIH-JYBIWHBTSA-N	1	0	358.486	1.332	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@H]1C(C)C	ZINC001105632255	842279745	/nfs/dbraw/zinc/27/97/45/842279745.db2.gz	JYXOGDFEEADRSO-RGCFKVTRSA-N	1	0	351.491	1.055	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3coc(OC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105641477	842294311	/nfs/dbraw/zinc/29/43/11/842294311.db2.gz	BOKSZOFOZUZMOB-ZIGSKRJUSA-N	1	0	361.442	1.286	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3cncnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105642360	842305850	/nfs/dbraw/zinc/30/58/50/842305850.db2.gz	IZQBQKLCCJBZAA-VURPSTOHSA-N	1	0	370.497	1.399	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cncc(C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105643425	842335570	/nfs/dbraw/zinc/33/55/70/842335570.db2.gz	YFORQWLRTWCOQD-UGESXGAOSA-N	1	0	369.509	1.922	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3ccon3)[C@H]2C(C)C)C[C@H]1O	ZINC001105643480	842339538	/nfs/dbraw/zinc/33/95/38/842339538.db2.gz	ZCCNFDPTVYTGAJ-IZBJGVDFSA-N	1	0	359.470	1.597	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@@H]1C(C)C	ZINC001105646238	842405607	/nfs/dbraw/zinc/40/56/07/842405607.db2.gz	HZDPMXZHQQTAEM-RNKNFESXSA-N	1	0	365.518	1.301	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCC(F)F)[C@H]2C(C)C)C[C@H]1O	ZINC001105646295	842405853	/nfs/dbraw/zinc/40/58/53/842405853.db2.gz	IMOQLIATQGDQAE-KNCCTNLNSA-N	1	0	358.429	1.258	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)cnn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105646595	842409086	/nfs/dbraw/zinc/40/90/86/842409086.db2.gz	KKGBJMLRXMGEPK-HBXLWWENSA-N	1	0	358.486	1.332	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cccnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105655904	842480316	/nfs/dbraw/zinc/48/03/16/842480316.db2.gz	LUZYSCPBLNRWQV-UGESXGAOSA-N	1	0	369.509	1.922	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3nccc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105656420	842493410	/nfs/dbraw/zinc/49/34/10/842493410.db2.gz	PUWKFWFCKRPVGB-HNBVOPMISA-N	1	0	358.486	1.181	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(N(C)C)c2)C[C@@H]1O	ZINC001083470417	842586774	/nfs/dbraw/zinc/58/67/74/842586774.db2.gz	QOWKVZCZDPZLPU-ZRNYENFQSA-N	1	0	373.497	1.395	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncccc3F)[C@H]2C(C)C)C[C@H]1O	ZINC001105661372	842690197	/nfs/dbraw/zinc/69/01/97/842690197.db2.gz	IDQZKYLRLSCUNM-ZTRFORPCSA-N	1	0	359.445	1.824	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(C)CCOCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105661639	842708895	/nfs/dbraw/zinc/70/88/95/842708895.db2.gz	KPSKYIWNPUTMBI-NEYJZJCJSA-N	1	0	362.514	1.793	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4ccccc4)[C@@H]3C2)C1=O	ZINC001075957474	842778429	/nfs/dbraw/zinc/77/84/29/842778429.db2.gz	HNQJQCKNLLAFDN-IPMKNSEASA-N	1	0	353.466	1.549	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnc(C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105664258	842883529	/nfs/dbraw/zinc/88/35/29/842883529.db2.gz	XKSONPVSHABPBN-WERVVEIQSA-N	1	0	355.482	1.993	20	30		FDEDRO
Cc1ccc(CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1C#N	ZINC000916072885	881340257	/nfs/dbraw/zinc/34/02/57/881340257.db2.gz	HIVCFSKBDDJMIL-GOSISDBHSA-N	1	0	371.485	1.609	20	30		FDEDRO
C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@@H]3CCC[C@@H]3C#N)c2)CC1	ZINC000461776300	843151256	/nfs/dbraw/zinc/15/12/56/843151256.db2.gz	XSUXLOCVTITYMG-SJLPKXTDSA-N	1	0	369.469	1.181	20	30		FDEDRO
[NH3+]C[C@H]1CCN(C(=O)C(=O)Nc2cccc(C#Cc3cccs3)c2)C1	ZINC000667277159	843509102	/nfs/dbraw/zinc/50/91/02/843509102.db2.gz	QLUMXFHHCHTHQA-OAHLLOKOSA-N	1	0	353.447	1.894	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn4cc[nH]c34)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667556	843639079	/nfs/dbraw/zinc/63/90/79/843639079.db2.gz	CGWZONJYCZSSKU-VIPLHTEESA-N	1	0	369.469	1.265	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccn(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105668082	843753968	/nfs/dbraw/zinc/75/39/68/843753968.db2.gz	HJEAQIVWMVQCJB-FTEYMNFISA-N	1	0	360.502	1.966	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCc3ccccc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105668307	843786744	/nfs/dbraw/zinc/78/67/44/843786744.db2.gz	JAERSVBCRYMFOF-WKDRNLAYSA-N	1	0	370.493	1.803	20	30		FDEDRO
N#CCOc1cccc(CC(=O)NC2CC[NH+](C3CCOCC3)CC2)c1	ZINC000898634111	844968306	/nfs/dbraw/zinc/96/83/06/844968306.db2.gz	HRERSTDWRLBUHF-UHFFFAOYSA-N	1	0	357.454	1.891	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccc(C)nc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105672960	845257860	/nfs/dbraw/zinc/25/78/60/845257860.db2.gz	DMTZGVXZXHZGHA-KRXUUXHPSA-N	1	0	369.509	1.922	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]12CCC[C@H]1[N@H+](CC(=O)N1CCC1)CC2	ZINC000990736951	845391093	/nfs/dbraw/zinc/39/10/93/845391093.db2.gz	FSDAFLNHMIZPRG-AXVVYFOYSA-N	1	0	361.486	1.313	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCCOCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105675012	845638627	/nfs/dbraw/zinc/63/86/27/845638627.db2.gz	LFSRZGUREZFAGB-HNBVOPMISA-N	1	0	366.502	1.029	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncnc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105675711	845742606	/nfs/dbraw/zinc/74/26/06/845742606.db2.gz	RAVCSHQKIVLXMQ-BNDYYXHWSA-N	1	0	370.497	1.642	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncnc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105675714	845743740	/nfs/dbraw/zinc/74/37/40/845743740.db2.gz	RAVCSHQKIVLXMQ-WERVVEIQSA-N	1	0	370.497	1.642	20	30		FDEDRO
C#CC[C@H]1NC(=O)N(CC2CC[NH+](Cc3ccc(OC)cc3)CC2)C1=O	ZINC000842242109	845885019	/nfs/dbraw/zinc/88/50/19/845885019.db2.gz	ODFXZWLNOAADNN-GOSISDBHSA-N	1	0	355.438	1.851	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@@H]2O)C1	ZINC001083522094	846083090	/nfs/dbraw/zinc/08/30/90/846083090.db2.gz	SXLKWMUVLRNDTL-ZCNNSNEGSA-N	1	0	370.497	1.197	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)CC1	ZINC000899595581	846478344	/nfs/dbraw/zinc/47/83/44/846478344.db2.gz	WOZCBTLKZPWXTF-UHFFFAOYSA-N	1	0	372.469	1.847	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3cccc(C)c3)[C@H]2C)C1=O	ZINC001088831885	847074659	/nfs/dbraw/zinc/07/46/59/847074659.db2.gz	IODKGDYCVSIUMU-NEWSRXKRSA-N	1	0	355.482	1.903	20	30		FDEDRO
C=CCOCCCC(=O)NCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001076034166	847119269	/nfs/dbraw/zinc/11/92/69/847119269.db2.gz	BXERMBQXWSGSAU-YESZJQIVSA-N	1	0	353.507	1.711	20	30		FDEDRO
C=C(Br)CN1C[C@@H]2CCN(C(=O)c3c[nH]c(=O)n3C)[C@@H]2C1	ZINC001076131774	847372653	/nfs/dbraw/zinc/37/26/53/847372653.db2.gz	IUCSOXLASHMEHW-CMPLNLGQSA-N	1	0	355.236	1.181	20	30		FDEDRO
C=C(Br)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1	ZINC001076145164	847390989	/nfs/dbraw/zinc/39/09/89/847390989.db2.gz	WSLXHOFLPDIKSF-SOUVJXGZSA-N	1	0	356.308	1.912	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccn(CC)c4C)[C@@H]3C2)C1=O	ZINC001076160158	847423032	/nfs/dbraw/zinc/42/30/32/847423032.db2.gz	ONRHJUQONDUNJD-QXAKKESOSA-N	1	0	370.497	1.750	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4cccc(C)c4)[C@@H]3C2)C1=O	ZINC001076198023	847526801	/nfs/dbraw/zinc/52/68/01/847526801.db2.gz	UCXIKZKBLBPKSK-XUVXKRRUSA-N	1	0	367.493	1.857	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](CCn4nc(C)cc4C)C[C@H]32)nn1	ZINC001076336278	847883569	/nfs/dbraw/zinc/88/35/69/847883569.db2.gz	QTSYBTBSHDDDPO-FUHWJXTLSA-N	1	0	369.473	1.124	20	30		FDEDRO
CC[NH+](CC)CCN1c2ccccc2C(=NNS(=O)(=O)C(C)C)C1=O	ZINC000749745664	848028139	/nfs/dbraw/zinc/02/81/39/848028139.db2.gz	PFLRIUJWZFILHD-UHFFFAOYSA-N	1	0	366.487	1.407	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CCc4cnn(CC)c4)C[C@H]32)cn1	ZINC001076477085	848242628	/nfs/dbraw/zinc/24/26/28/848242628.db2.gz	OZUASDQZJFAYOD-AZUAARDMSA-N	1	0	363.465	1.668	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccccc4OC)[C@@H]3C2)C1=O	ZINC001076489045	848266461	/nfs/dbraw/zinc/26/64/61/848266461.db2.gz	ZAVYFZMTPOWRFF-RYQLBKOJSA-N	1	0	369.465	1.628	20	30		FDEDRO
CN1C(=O)CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001076515085	848307597	/nfs/dbraw/zinc/30/75/97/848307597.db2.gz	WGRCXOJZDAEIIQ-GBESFXJTSA-N	1	0	366.465	1.602	20	30		FDEDRO
CON=Cc1ccc(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)cc1	ZINC000913320371	861898254	/nfs/dbraw/zinc/89/82/54/861898254.db2.gz	SPNVQHJPBZXXHV-UHFFFAOYSA-N	1	0	359.426	1.567	20	30		FDEDRO
COc1ccc(C#N)cc1CN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1	ZINC001076568877	848462760	/nfs/dbraw/zinc/46/27/60/848462760.db2.gz	AXJGRTDNECDHAO-YQVWRLOYSA-N	1	0	368.481	1.551	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)Nc1cccc(S(=O)(=O)NCCOC)c1	ZINC000913352066	861913016	/nfs/dbraw/zinc/91/30/16/861913016.db2.gz	HLPPMDOHHXUMMZ-UHFFFAOYSA-N	1	0	355.460	1.058	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(Cc4cc(C)n(C)n4)C[C@H]32)CC1	ZINC001076604604	848553844	/nfs/dbraw/zinc/55/38/44/848553844.db2.gz	NSXNBWNYBWNHSU-AZUAARDMSA-N	1	0	369.513	1.106	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4[C@H]5[C@@H]4[C@@H]4CC[C@H]5C4)[C@@H]3C2)C1=O	ZINC001076623267	848603258	/nfs/dbraw/zinc/60/32/58/848603258.db2.gz	NNQAYDZFJYNZPZ-LXTDMAHYSA-N	1	0	369.509	1.598	20	30		FDEDRO
Cc1nonc1C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21	ZINC001076634659	848624062	/nfs/dbraw/zinc/62/40/62/848624062.db2.gz	SNTDUWLEEKQKJI-DOTOQJQBSA-N	1	0	367.409	1.627	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)C1([NH+](C)C)CCC1	ZINC001076705897	848810124	/nfs/dbraw/zinc/81/01/24/848810124.db2.gz	GOFDNZAXTUOZJE-ULQDDVLXSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C	ZINC001076740360	848913096	/nfs/dbraw/zinc/91/30/96/848913096.db2.gz	QQRLKBDYHIMIJG-YVSFHVDLSA-N	1	0	353.507	1.565	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000938274063	849007034	/nfs/dbraw/zinc/00/70/34/849007034.db2.gz	YLRHFMMGLTVNTH-SZMVWBNQSA-N	1	0	368.437	1.646	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCSCC)C2	ZINC001112272575	849036076	/nfs/dbraw/zinc/03/60/76/849036076.db2.gz	FEEKWLNYEUSGOB-YJBOKZPZSA-N	1	0	351.516	1.097	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCc4ccccc43)C[C@H]2O)[nH]1	ZINC001076898751	849284544	/nfs/dbraw/zinc/28/45/44/849284544.db2.gz	YSWVSZHCQALDFU-GUDVDZBRSA-N	1	0	350.422	1.739	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCC(F)(F)C3)C[C@H]2O)c[nH]1	ZINC001076907430	849302552	/nfs/dbraw/zinc/30/25/52/849302552.db2.gz	OTLGIGVHHQMCDZ-KCPJHIHWSA-N	1	0	352.385	1.487	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2C[NH2+]CC2(C)C)cc1	ZINC000904294417	851099236	/nfs/dbraw/zinc/09/92/36/851099236.db2.gz	CHIWJTOANDNERD-HNNXBMFYSA-N	1	0	366.487	1.613	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1	ZINC000485020488	851400794	/nfs/dbraw/zinc/40/07/94/851400794.db2.gz	CCLRJFQZIRSEBT-UHFFFAOYSA-N	1	0	356.426	1.638	20	30		FDEDRO
N#CC1(C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)CC2(CC2)C1	ZINC000904929019	851502980	/nfs/dbraw/zinc/50/29/80/851502980.db2.gz	AQOOABNMFUNGPI-UHFFFAOYSA-N	1	0	354.454	1.993	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1	ZINC000904986019	851586673	/nfs/dbraw/zinc/58/66/73/851586673.db2.gz	HIYZIDCEFOPTBR-HOTGVXAUSA-N	1	0	374.510	1.816	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+]C[C@H](O)CC3(CO)CCCC3)CC2)nc1	ZINC000905089076	851638645	/nfs/dbraw/zinc/63/86/45/851638645.db2.gz	MGHPGOJVWKNWRN-GOSISDBHSA-N	1	0	358.486	1.815	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@H](O)CC1(O)CCC(C(=O)OCC)CC1	ZINC000905064055	851649763	/nfs/dbraw/zinc/64/97/63/851649763.db2.gz	GRGTXOPKWWUEEY-JVWICGRDSA-N	1	0	364.280	1.720	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H]([NH2+]C[C@H](O)CCC3(O)CCC3)C2=O)cc1	ZINC000905227478	851736279	/nfs/dbraw/zinc/73/62/79/851736279.db2.gz	AUIATZHQQRLBIJ-QZTJIDSGSA-N	1	0	357.454	1.305	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1	ZINC000905244792	851769195	/nfs/dbraw/zinc/76/91/95/851769195.db2.gz	SRJHNJRUUJLLMO-JYJNAYRXSA-N	1	0	374.547	1.559	20	30		FDEDRO
CC(C)C[C@H](C(=O)NCC#CC[NH+](C)C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O	ZINC000913515003	862294822	/nfs/dbraw/zinc/29/48/22/862294822.db2.gz	DTMOMXAGDVCYSH-YESZJQIVSA-N	1	0	359.470	1.034	20	30		FDEDRO
COc1ccc(-n2cnnc2SCC(=O)NCC#CC[NH+](C)C)cc1	ZINC000913516612	862299018	/nfs/dbraw/zinc/29/90/18/862299018.db2.gz	XWXQXEVXFDYOLO-UHFFFAOYSA-N	1	0	359.455	1.049	20	30		FDEDRO
CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NCC#CC[NH+](C)C	ZINC000913516203	862299086	/nfs/dbraw/zinc/29/90/86/862299086.db2.gz	GAUFAUMHFZLNMH-QGZVFWFLSA-N	1	0	362.449	1.475	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1	ZINC000913517429	862301321	/nfs/dbraw/zinc/30/13/21/862301321.db2.gz	AHIMVUBVMLWRFR-UHFFFAOYSA-N	1	0	371.481	1.375	20	30		FDEDRO
C[C@@]1(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)OCCc2ccccc21	ZINC000905442180	851945131	/nfs/dbraw/zinc/94/51/31/851945131.db2.gz	YVTHNERMSCPTKB-IBGZPJMESA-N	1	0	371.462	1.805	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H](O)Cc2ccccc2F)cc1	ZINC000905474689	851949383	/nfs/dbraw/zinc/94/93/83/851949383.db2.gz	QDWMBHHBGFTRNM-INIZCTEOSA-N	1	0	362.426	1.664	20	30		FDEDRO
Brc1nc2n(c1C=NNC1=[NH+][C@@H]3CCCC[C@@H]3N1)CCOC2	ZINC000905456362	851959820	/nfs/dbraw/zinc/95/98/20/851959820.db2.gz	HMANYJZIRNWTOR-AOOOYVTPSA-N	1	0	367.251	1.370	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1ccc(Br)cc1-n1cncn1	ZINC000913520039	862304965	/nfs/dbraw/zinc/30/49/65/862304965.db2.gz	AITSSHPFPOTUSK-UHFFFAOYSA-N	1	0	362.231	1.325	20	30		FDEDRO
CC(C)Cc1nnc(NC(=O)CCC(=O)NCC#CC[NH+](C)C)s1	ZINC000913520008	862305249	/nfs/dbraw/zinc/30/52/49/862305249.db2.gz	YGNJOXKDHGAABR-UHFFFAOYSA-N	1	0	351.476	1.137	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC3(CCOCC3)O2)cc1	ZINC000905596041	852086706	/nfs/dbraw/zinc/08/67/06/852086706.db2.gz	POCUUWIGRZOPLF-HKUYNNGSSA-N	1	0	360.454	1.810	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]CCc2cccc3c2OCCO3)c1	ZINC000905618188	852115212	/nfs/dbraw/zinc/11/52/12/852115212.db2.gz	WPSXTTKWQKUZHI-UHFFFAOYSA-N	1	0	372.446	1.935	20	30		FDEDRO
C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCCC[NH+]1CCOCC1	ZINC000668512378	852509810	/nfs/dbraw/zinc/50/98/10/852509810.db2.gz	QFIINPHERKIXFW-DLBZAZTESA-N	1	0	351.491	1.466	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2COC[C@H]2C1)C(C)C	ZINC000668531672	852737249	/nfs/dbraw/zinc/73/72/49/852737249.db2.gz	JNIAQVCMTSSIHC-KZNAEPCWSA-N	1	0	363.502	1.296	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC000906514648	852958618	/nfs/dbraw/zinc/95/86/18/852958618.db2.gz	BFNMJACULBKYCU-QGZVFWFLSA-N	1	0	356.470	1.421	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(C(=O)c2cc3c(cccc3OC)[nH]2)CC1	ZINC000906579270	853042882	/nfs/dbraw/zinc/04/28/82/853042882.db2.gz	BUQHNIBEDVYSEA-UHFFFAOYSA-N	1	0	368.437	1.074	20	30		FDEDRO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2	ZINC000906717798	853210973	/nfs/dbraw/zinc/21/09/73/853210973.db2.gz	QOAIRVLGLMBMNP-RMRHIDDWSA-N	1	0	358.467	1.886	20	30		FDEDRO
C=CCC1(C(=O)NCC2(O)CC[NH+](C)CC2)CN(C(=O)OC(C)(C)C)C1	ZINC000906855658	853447603	/nfs/dbraw/zinc/44/76/03/853447603.db2.gz	KCZVSEUZGGGYRJ-UHFFFAOYSA-N	1	0	367.490	1.373	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)cn2)[C@@H](C)C1	ZINC000906947768	853615734	/nfs/dbraw/zinc/61/57/34/853615734.db2.gz	QNAURJHLEBTISW-HOCLYGCPSA-N	1	0	366.487	1.369	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1	ZINC000668582759	853619154	/nfs/dbraw/zinc/61/91/54/853619154.db2.gz	ZWUHLXARXZIJAK-RCCFBDPRSA-N	1	0	364.534	1.237	20	30		FDEDRO
C#Cc1ccc(S(=O)(=O)NCC2CC[NH+](C3CCOCC3)CC2)cc1	ZINC000907276903	853978559	/nfs/dbraw/zinc/97/85/59/853978559.db2.gz	ROGVFNVDQYGTMG-UHFFFAOYSA-N	1	0	362.495	1.837	20	30		FDEDRO
C[NH+]1CCC(CNS(=O)(=O)c2ccc(C#N)cn2)(c2ccccc2)CC1	ZINC000907313794	854012254	/nfs/dbraw/zinc/01/22/54/854012254.db2.gz	LLYQZVQCTACBGG-UHFFFAOYSA-N	1	0	370.478	1.895	20	30		FDEDRO
CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3cccc(C#CCO)c3)CC2)CC1	ZINC000907378637	854123720	/nfs/dbraw/zinc/12/37/20/854123720.db2.gz	FKPMADYXWHVTCH-BGYRXZFFSA-N	1	0	355.482	1.319	20	30		FDEDRO
COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cc(C)c(C#N)c(C)c1	ZINC000907962853	854851525	/nfs/dbraw/zinc/85/15/25/854851525.db2.gz	PELHKCAIZULQEF-UHFFFAOYSA-N	1	0	372.469	1.038	20	30		FDEDRO
CC(C)[NH+]1CCN(CCC(=O)NCc2cc(F)c(C#N)c(F)c2)CC1	ZINC000907975531	854864890	/nfs/dbraw/zinc/86/48/90/854864890.db2.gz	LZCRKHVSAFWTLJ-UHFFFAOYSA-N	1	0	350.413	1.869	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1	ZINC000908166904	855105861	/nfs/dbraw/zinc/10/58/61/855105861.db2.gz	ZVGIPMUZAAVXEN-CVEARBPZSA-N	1	0	353.463	1.391	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21	ZINC000908205742	855192665	/nfs/dbraw/zinc/19/26/65/855192665.db2.gz	QTKGENZJXIVQKO-HOTGVXAUSA-N	1	0	357.454	1.530	20	30		FDEDRO
CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc(C#N)cn2)[NH+](C)C)cc1	ZINC000908460214	855445368	/nfs/dbraw/zinc/44/53/68/855445368.db2.gz	PDPGRKDJMLZCRO-QGZVFWFLSA-N	1	0	373.482	1.600	20	30		FDEDRO
CN(C)c1ccc([C@@H](CNS(=O)(=O)CCCCC#N)[NH+](C)C)cc1	ZINC000908457575	855469450	/nfs/dbraw/zinc/46/94/50/855469450.db2.gz	GDYJPJLTOPEIDU-QGZVFWFLSA-N	1	0	352.504	1.969	20	30		FDEDRO
C=CCn1c(-c2ncon2)nnc1N1CC[NH+](CCc2ccccc2)CC1	ZINC000908729281	855724535	/nfs/dbraw/zinc/72/45/35/855724535.db2.gz	NHXIKXCLZKAZBZ-UHFFFAOYSA-N	1	0	365.441	1.879	20	30		FDEDRO
C=CCn1c(-c2ccc(=O)n(C)c2)nnc1N1CC[NH+](CC2CC2)CC1	ZINC000908733560	855728292	/nfs/dbraw/zinc/72/82/92/855728292.db2.gz	AYRYSMRONOCVHX-UHFFFAOYSA-N	1	0	354.458	1.362	20	30		FDEDRO
C=CCn1c(-c2ccc(=O)n(C)c2)nnc1N1CC[NH+]([C@@H](C)CC)CC1	ZINC000908739971	855736906	/nfs/dbraw/zinc/73/69/06/855736906.db2.gz	GNIQLSXQDWMATG-HNNXBMFYSA-N	1	0	356.474	1.750	20	30		FDEDRO
C=C(C)Cn1c(-c2ncnc3[nH]cnc32)nnc1N1CC[NH+](C(C)C)CC1	ZINC000909313578	856429874	/nfs/dbraw/zinc/42/98/74/856429874.db2.gz	MPUFXONIVTVRTF-UHFFFAOYSA-N	1	0	367.461	1.670	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](Oc3ccccc3)C2)CC1	ZINC000668835496	857510454	/nfs/dbraw/zinc/51/04/54/857510454.db2.gz	BMAZOKZAWCBHRZ-GOSISDBHSA-N	1	0	357.454	1.433	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](C)[C@H]2CCO)CC1	ZINC000668839619	857627001	/nfs/dbraw/zinc/62/70/01/857627001.db2.gz	ACQPVBIRCVSWFX-DOTOQJQBSA-N	1	0	351.491	1.153	20	30		FDEDRO
C#CCN(C(=O)C(=O)N(C)CCOc1ccccc1C)C1CC[NH+](C)CC1	ZINC000910885238	857836063	/nfs/dbraw/zinc/83/60/63/857836063.db2.gz	JDJSMOPNBGVXKL-UHFFFAOYSA-N	1	0	371.481	1.388	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)N1CC[NH2+]CCC12CCOCC2)c1ccncc1	ZINC000911000677	858017326	/nfs/dbraw/zinc/01/73/26/858017326.db2.gz	GNPHQRUUVTXZAG-QGZVFWFLSA-N	1	0	372.469	1.186	20	30		FDEDRO
COCCN1CCC([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000488501946	858129790	/nfs/dbraw/zinc/12/97/90/858129790.db2.gz	HJZMTNYZMFSTMX-IBGZPJMESA-N	1	0	356.470	1.360	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@H]2COC[C@@H]2C1	ZINC000669336231	863002425	/nfs/dbraw/zinc/00/24/25/863002425.db2.gz	YIGNZOBRVBQNFQ-FJIDUMEYSA-N	1	0	373.501	1.863	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@@](C)(C(N)=O)C1	ZINC000669335910	863004092	/nfs/dbraw/zinc/00/40/92/863004092.db2.gz	ZTBIDRUXMQJWIN-ZRGWGRIASA-N	1	0	374.489	1.092	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)NCCCCCC2CC[NH2+]CC2)c(F)c1	ZINC000911173507	858286402	/nfs/dbraw/zinc/28/64/02/858286402.db2.gz	ZGIOELIALLTAKR-UHFFFAOYSA-N	1	0	374.460	1.990	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)CCCCC1	ZINC000911335855	858477670	/nfs/dbraw/zinc/47/76/70/858477670.db2.gz	BSLWHTFUKKNYQO-NWDGAFQWSA-N	1	0	360.380	1.315	20	30		FDEDRO
CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@H](C)Oc2ccccc2C#N)CC1	ZINC000912591429	859923324	/nfs/dbraw/zinc/92/33/24/859923324.db2.gz	HOOSMOQVXVBJEG-INIZCTEOSA-N	1	0	359.470	1.925	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](Cc2ccc(OCC(F)(F)F)nc2)CC1	ZINC000766033612	881482123	/nfs/dbraw/zinc/48/21/23/881482123.db2.gz	RMLMJHSOGNZKTA-UHFFFAOYSA-N	1	0	355.360	1.984	20	30		FDEDRO
C[C@H]1C[NH+](CCCNC(=O)NCCNc2ccc(C#N)cn2)C[C@H](C)O1	ZINC000916249987	881500300	/nfs/dbraw/zinc/50/03/00/881500300.db2.gz	QUDGMZFWOLOLSP-GJZGRUSLSA-N	1	0	360.462	1.164	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)N2C[C@@H](C)N(CC#N)[C@@H](C)C2)CC1	ZINC000916323068	881539374	/nfs/dbraw/zinc/53/93/74/881539374.db2.gz	GRAJDHNTTRPCJK-IYBDPMFKSA-N	1	0	351.495	1.115	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1C[C@H]2COC[C@]2(C)C1	ZINC000669032874	860837284	/nfs/dbraw/zinc/83/72/84/860837284.db2.gz	XYCIZRBPICHJJO-RCJHGTSTSA-N	1	0	359.474	1.473	20	30		FDEDRO
C[NH+](C)CCN1C[C@H](C(=O)N2CCC(c3ccc(C#N)cn3)CC2)CC1=O	ZINC000912932777	861045430	/nfs/dbraw/zinc/04/54/30/861045430.db2.gz	KDHHAVOYPMTUCM-QGZVFWFLSA-N	1	0	369.469	1.069	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1C[C@H](C)N(CCO)C[C@@H]1C	ZINC000916416461	881610203	/nfs/dbraw/zinc/61/02/03/881610203.db2.gz	BWKNFUXRCWXFSS-HOTGVXAUSA-N	1	0	365.499	1.392	20	30		FDEDRO
C[NH+](C)CCn1nccc1C(=O)N1CCC(c2ccc(C#N)cn2)CC1	ZINC000912926377	861080765	/nfs/dbraw/zinc/08/07/65/861080765.db2.gz	ILKURZKCJAWHSR-UHFFFAOYSA-N	1	0	352.442	1.731	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CC2(CS(C)(=O)=O)CC2)C[C@H]1C(F)(F)F	ZINC001112101294	863282405	/nfs/dbraw/zinc/28/24/05/863282405.db2.gz	HCPRMAKQDAZVRF-VXGBXAGGSA-N	1	0	368.421	1.366	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C)no2)C[C@H]1C	ZINC001105817377	863358006	/nfs/dbraw/zinc/35/80/06/863358006.db2.gz	GEODUQIRKDSBSR-GDBMZVCRSA-N	1	0	360.458	1.481	20	30		FDEDRO
CCOc1cccc(C[NH2+]C[C@@H]2CN(C(=O)CSCC#N)C[C@H]2C)n1	ZINC001105849090	863495846	/nfs/dbraw/zinc/49/58/46/863495846.db2.gz	FCDXEMZIEQZBQD-HUUCEWRRSA-N	1	0	362.499	1.921	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCCC2)[C@H](C)C1	ZINC001105912313	863948022	/nfs/dbraw/zinc/94/80/22/863948022.db2.gz	BJKXTSHTGSPWKY-KZNAEPCWSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)OC)C[C@H]1C	ZINC001105919163	864004114	/nfs/dbraw/zinc/00/41/14/864004114.db2.gz	CMODSLUXJYXXHC-BRWVUGGUSA-N	1	0	353.507	1.520	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)[C@H](C)C1	ZINC001105923231	864030425	/nfs/dbraw/zinc/03/04/25/864030425.db2.gz	RFRGKLIKUCBITG-BFYDXBDKSA-N	1	0	359.474	1.176	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+]Cc2cc(=O)n3ccsc3n2)[C@H](C)C1	ZINC001105926940	864056110	/nfs/dbraw/zinc/05/61/10/864056110.db2.gz	OPVYOMDLHYZOJT-ZIAGYGMSSA-N	1	0	360.483	1.906	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)COCc2ccco2)[C@H](C)C1	ZINC001105938283	864132223	/nfs/dbraw/zinc/13/22/23/864132223.db2.gz	OAFJVMPHWCNYQC-ZACQAIPSSA-N	1	0	366.458	1.044	20	30		FDEDRO
CCC(=O)NCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)[C@H](C)C1	ZINC001105944872	864177069	/nfs/dbraw/zinc/17/70/69/864177069.db2.gz	BXTGSQQGYKAXSU-CZUORRHYSA-N	1	0	360.433	1.408	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]CCCO[C@H]2CCOC2)[C@H](C)C1	ZINC001105981840	864327383	/nfs/dbraw/zinc/32/73/83/864327383.db2.gz	GQQTUHBJGDANTN-QRVBRYPASA-N	1	0	368.518	1.849	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C(C)C)[C@H](C)C1	ZINC001105987799	864365828	/nfs/dbraw/zinc/36/58/28/864365828.db2.gz	QUBXBZKJMFQYBW-IAGOWNOFSA-N	1	0	353.507	1.520	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)/C(C)=C\C)C[C@H]1C	ZINC001105995818	864437243	/nfs/dbraw/zinc/43/72/43/864437243.db2.gz	GCVHIRXECWGCED-MFICBBFYSA-N	1	0	350.463	1.037	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C=C2CCC2)C[C@H]1C	ZINC001106002552	864536548	/nfs/dbraw/zinc/53/65/48/864536548.db2.gz	XQCJJOXQEZKEJC-IIAWOOMASA-N	1	0	362.474	1.181	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](C[C@@H](O)Cc3ccccc3)[C@@H]2C)c1	ZINC001088846413	864543907	/nfs/dbraw/zinc/54/39/07/864543907.db2.gz	MJTAUTTUMJPJLL-CZAAIQMYSA-N	1	0	363.461	1.859	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]CCCN1CCCC1=O	ZINC001106021451	864720770	/nfs/dbraw/zinc/72/07/70/864720770.db2.gz	XDNDNPKMXRKPPD-HUUCEWRRSA-N	1	0	357.458	1.197	20	30		FDEDRO
Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)no1	ZINC001106025638	864814273	/nfs/dbraw/zinc/81/42/73/864814273.db2.gz	AOVKPIKYVJOQKM-BXUZGUMPSA-N	1	0	370.413	1.119	20	30		FDEDRO
C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CC[NH+](C3CC3)CC2)C1=O	ZINC000170638314	864852164	/nfs/dbraw/zinc/85/21/64/864852164.db2.gz	IUDVBUDDYPPJOO-IBGZPJMESA-N	1	0	353.426	1.063	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCC3)[C@H](C)C1	ZINC001106029148	864875367	/nfs/dbraw/zinc/87/53/67/864875367.db2.gz	IIXOEGQDEDFWDQ-OXQOHEQNSA-N	1	0	367.493	1.499	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(OCC)n2)[C@H](C)C1	ZINC001106059667	865074595	/nfs/dbraw/zinc/07/45/95/865074595.db2.gz	ZSKJBBWDWCMMAP-JXXFODFXSA-N	1	0	361.486	1.992	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)Nc2nccs2)[C@H](C)C1	ZINC001106064772	865108838	/nfs/dbraw/zinc/10/88/38/865108838.db2.gz	HYXPGKJUKLCZPV-QLFBSQMISA-N	1	0	362.499	1.958	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2csnc2OC)[C@H](C)C1	ZINC001106064766	865108986	/nfs/dbraw/zinc/10/89/86/865108986.db2.gz	HRNUBSQBWHHCIK-XNJGSVPQSA-N	1	0	353.488	1.663	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCc2ccccc2)[C@H](C)C1	ZINC001106065616	865117087	/nfs/dbraw/zinc/11/70/87/865117087.db2.gz	CKVPEVBIELJJEC-UYAOXDASSA-N	1	0	369.509	1.833	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1	ZINC001060394329	865127820	/nfs/dbraw/zinc/12/78/20/865127820.db2.gz	BIXJKMFANAPRFW-AOIWGVFYSA-N	1	0	365.518	1.664	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)c2ccc(C)s2)C[C@H]1C	ZINC001106874968	881863320	/nfs/dbraw/zinc/86/33/20/881863320.db2.gz	AXEGOSGVSXRJFF-VNQPRFMTSA-N	1	0	361.511	1.594	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](C[C@@H](O)C3CCCCC3)[C@@H]2C)nn1	ZINC001088907128	865370369	/nfs/dbraw/zinc/37/03/69/865370369.db2.gz	AMYXEDUBVBLACD-UWWQBHOKSA-N	1	0	361.490	1.598	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O	ZINC001083848633	881864882	/nfs/dbraw/zinc/86/48/82/881864882.db2.gz	PHPHUULXGTUKJY-MHORFTMASA-N	1	0	352.475	1.088	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cn(CC3CC3)nn2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088945573	865637320	/nfs/dbraw/zinc/63/73/20/865637320.db2.gz	KSSGCBYQPDWHQF-KDOFPFPSSA-N	1	0	364.453	1.953	20	30		FDEDRO
C[NH+](C)C[C@H]1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C1	ZINC000172506399	865653425	/nfs/dbraw/zinc/65/34/25/865653425.db2.gz	SLASKOYOHIMCER-OAHLLOKOSA-N	1	0	355.442	1.163	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@@H]2O)nn1	ZINC001083849129	881915324	/nfs/dbraw/zinc/91/53/24/881915324.db2.gz	OPSUKQUMCXBMHU-WBVHZDCISA-N	1	0	359.474	1.209	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](CC[C@@H]2CCCO2)[C@@H]1C	ZINC001088989734	865944924	/nfs/dbraw/zinc/94/49/24/865944924.db2.gz	KZPRFBJGRZVIDU-RYRKJORJSA-N	1	0	357.454	1.855	20	30		FDEDRO
CC[N@H+](C)C[C@@H]1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C1	ZINC000173492154	865977682	/nfs/dbraw/zinc/97/76/82/865977682.db2.gz	WWJNGYIDURMKGI-INIZCTEOSA-N	1	0	369.469	1.554	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](CCCc3ccccc3)C[C@@H]2O)nn1	ZINC001083849277	881927682	/nfs/dbraw/zinc/92/76/82/881927682.db2.gz	WYZAFUSBLAQPLV-MJGOQNOKSA-N	1	0	369.469	1.262	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3ccnc(OC)c3)[C@@H]2C)CC1	ZINC001089060172	866390449	/nfs/dbraw/zinc/39/04/49/866390449.db2.gz	XKBCVQRDKRQZMN-APWZRJJASA-N	1	0	370.497	1.514	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3cnc(C)cn3)[C@@H]2C)CC1	ZINC001089059983	866390893	/nfs/dbraw/zinc/39/08/93/866390893.db2.gz	MBADITAKNDPTOR-APWZRJJASA-N	1	0	355.486	1.209	20	30		FDEDRO
C=CCn1c(CNC(=O)c2cccs2)nnc1N1CC[N@@H+](CC)[C@H](C)C1	ZINC000669805825	867549633	/nfs/dbraw/zinc/54/96/33/867549633.db2.gz	VREKGJRZXOIIQS-CQSZACIVSA-N	1	0	374.514	1.986	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001061620527	882144689	/nfs/dbraw/zinc/14/46/89/882144689.db2.gz	BZMVFYLTTNQUDN-BZUAXINKSA-N	1	0	351.491	1.273	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCC3CCOCC3)C[C@H]2O)cc1	ZINC001077494056	867966567	/nfs/dbraw/zinc/96/65/67/867966567.db2.gz	YJYBTQFINDOZPJ-WOJBJXKFSA-N	1	0	356.466	1.650	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001061621938	882157804	/nfs/dbraw/zinc/15/78/04/882157804.db2.gz	IUYSUSCDPZHNEA-YESZJQIVSA-N	1	0	365.518	1.663	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1C#N	ZINC000460128990	868163850	/nfs/dbraw/zinc/16/38/50/868163850.db2.gz	IAJRVKTWQQUURP-GJZGRUSLSA-N	1	0	374.514	1.782	20	30		FDEDRO
Cc1ccc(CNC(=O)C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)cc1	ZINC001106105996	868163929	/nfs/dbraw/zinc/16/39/29/868163929.db2.gz	CPHHSYVOXQXJFZ-YLJYHZDGSA-N	1	0	367.493	1.709	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]C[C@H](O)COc1ccccc1	ZINC001106106025	868165600	/nfs/dbraw/zinc/16/56/00/868165600.db2.gz	DMKPIOAXVZZUTL-QRQLOZEOSA-N	1	0	356.466	1.524	20	30		FDEDRO
C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2cccc(C#N)c2)c1	ZINC000462749012	868172115	/nfs/dbraw/zinc/17/21/15/868172115.db2.gz	MVTKTPQDDGVSBM-UHFFFAOYSA-N	1	0	372.450	1.650	20	30		FDEDRO
Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C	ZINC001106106320	868176202	/nfs/dbraw/zinc/17/62/02/868176202.db2.gz	RMSRDKSMSIDBCS-RLLQIKCJSA-N	1	0	370.493	1.832	20	30		FDEDRO
Cc1ccc(CN(C)C(=O)C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)o1	ZINC001106106258	868183697	/nfs/dbraw/zinc/18/36/97/868183697.db2.gz	PDFYEPPQLDCGCS-CRAIPNDOSA-N	1	0	371.481	1.644	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C[NH2+]Cc1nnc(C2CC2)n1C	ZINC001106106305	868185055	/nfs/dbraw/zinc/18/50/55/868185055.db2.gz	RAMIOSPZKDWMMV-GDBMZVCRSA-N	1	0	357.502	1.926	20	30		FDEDRO
Cc1cc(NC(=O)[C@@H](C)[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)on1	ZINC001106106483	868190662	/nfs/dbraw/zinc/19/06/62/868190662.db2.gz	ZJIYVQHTLAQSPF-XNRPHZJLSA-N	1	0	358.442	1.408	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1[N@H+](Cc1ccn(C)c(=O)c1)CC2	ZINC000992183757	868210106	/nfs/dbraw/zinc/21/01/06/868210106.db2.gz	UQJUSASYMFSGSQ-IIMDRIAPSA-N	1	0	371.481	1.590	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3ccn(C)n3)C[C@H]2CC1	ZINC000946786680	882172131	/nfs/dbraw/zinc/17/21/31/882172131.db2.gz	OGASAOPFBZEZGD-JFRXWTBNSA-N	1	0	358.486	1.682	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C[NH2+]CCCO[C@H]1CCOC1	ZINC001106110821	868381697	/nfs/dbraw/zinc/38/16/97/868381697.db2.gz	ACYCTEZXUGWERB-KURKYZTESA-N	1	0	350.503	1.916	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nc(CC(C)C)no2)[C@H](C)C1	ZINC001106111410	868389823	/nfs/dbraw/zinc/38/98/23/868389823.db2.gz	LSDJRWKJEYZWKU-OWCLPIDISA-N	1	0	362.474	1.491	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C(N)=O)c2)[C@H](C)C1	ZINC001106111764	868394171	/nfs/dbraw/zinc/39/41/71/868394171.db2.gz	RHGWJFXTNBGZLR-IIDMSEBBSA-N	1	0	357.454	1.008	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(CC)CC)[C@H](C)C1	ZINC001106116491	868576473	/nfs/dbraw/zinc/57/64/73/868576473.db2.gz	FYBKHXHGCZYOBD-BRWVUGGUSA-N	1	0	365.518	1.404	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cn(C(C)(C)C)nn2)[C@H](C)C1	ZINC001106116744	868580350	/nfs/dbraw/zinc/58/03/50/868580350.db2.gz	MBGWWHXFIBTEJM-OWCLPIDISA-N	1	0	361.490	1.256	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@]2(CNC(=O)C2)C1	ZINC000464800926	869019960	/nfs/dbraw/zinc/01/99/60/869019960.db2.gz	HQQROAAHLNUIOQ-UZLBHIALSA-N	1	0	354.454	1.924	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(N(C)C)c3)C[C@@H]2O)cc1	ZINC001083691054	869078295	/nfs/dbraw/zinc/07/82/95/869078295.db2.gz	WMABNUHZHSPCJF-RTWAWAEBSA-N	1	0	363.461	1.709	20	30		FDEDRO
C[NH+](C)CC1(O)CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1	ZINC000913678254	869379424	/nfs/dbraw/zinc/37/94/24/869379424.db2.gz	YQNUZNRIYIYVQR-UHFFFAOYSA-N	1	0	354.410	1.742	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1	ZINC001060419870	869497783	/nfs/dbraw/zinc/49/77/83/869497783.db2.gz	IWOXMSVLHXUOLQ-BBWFWOEESA-N	1	0	363.502	1.274	20	30		FDEDRO
CN1CC[N@H+](C)CC(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)C1	ZINC000913782323	869621613	/nfs/dbraw/zinc/62/16/13/869621613.db2.gz	QCXXJKOXFQMSJK-OAHLLOKOSA-N	1	0	354.376	1.771	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1	ZINC000913794564	869654796	/nfs/dbraw/zinc/65/47/96/869654796.db2.gz	CJIAKQKDAZLFAE-ZACQAIPSSA-N	1	0	351.491	1.153	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]2CC1	ZINC000946813416	882330520	/nfs/dbraw/zinc/33/05/20/882330520.db2.gz	SJTIGGNOIHXBCE-RDGPPVDQSA-N	1	0	350.503	1.911	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)c4ccco4)C[C@]3(C)C2)CC1	ZINC000992522261	869926449	/nfs/dbraw/zinc/92/64/49/869926449.db2.gz	HANWWJIQXBVROE-UTKZUKDTSA-N	1	0	369.465	1.545	20	30		FDEDRO
C=CCCC[C@H]([NH3+])C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1	ZINC001121955464	870046096	/nfs/dbraw/zinc/04/60/96/870046096.db2.gz	PNBOHPOPRSFLJY-LBPRGKRZSA-N	1	0	353.435	1.051	20	30		FDEDRO
Cn1cc(C[NH2+]CCCN2CCC[C@@H]2C(N)=O)c(-c2ccc(C#N)cc2)n1	ZINC000272101635	870304978	/nfs/dbraw/zinc/30/49/78/870304978.db2.gz	HANKECQUHCCSKB-GOSISDBHSA-N	1	0	366.469	1.388	20	30		FDEDRO
C[C@H]1CN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C[C@H](C)N1CC#N	ZINC000914018053	870368507	/nfs/dbraw/zinc/36/85/07/870368507.db2.gz	WJVZVAJMKVQMAD-IRXDYDNUSA-N	1	0	370.501	1.674	20	30		FDEDRO
C[C@H]1CN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)N1CC#N	ZINC000914025252	870400204	/nfs/dbraw/zinc/40/02/04/870400204.db2.gz	ZAAWYNAKSOWIFZ-IRXDYDNUSA-N	1	0	373.501	1.755	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C[C@@H](C)N1CC#N	ZINC000914025251	870400404	/nfs/dbraw/zinc/40/04/04/870400404.db2.gz	ZAAWYNAKSOWIFZ-IAGOWNOFSA-N	1	0	373.501	1.755	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H](CN2CCCC2=O)c2ccccc2)CC1	ZINC000914081205	870666955	/nfs/dbraw/zinc/66/69/55/870666955.db2.gz	RMKYVOQCVHTUKI-LJQANCHMSA-N	1	0	368.481	1.747	20	30		FDEDRO
C#CCN(C(=O)NCCN(CC)C(=O)OC(C)(C)C)C1CC[NH+](C)CC1	ZINC000916850627	882438609	/nfs/dbraw/zinc/43/86/09/882438609.db2.gz	GIRAGVSHZWTGHA-UHFFFAOYSA-N	1	0	366.506	1.982	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H](CS(N)(=O)=O)C1)C(C)C	ZINC000914127518	870947736	/nfs/dbraw/zinc/94/77/36/870947736.db2.gz	KGBGDOVPTRLQKU-JKSUJKDBSA-N	1	0	372.535	1.005	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cn(-c3ccccc3)cn2)C[C@H]1C	ZINC001106154968	871449005	/nfs/dbraw/zinc/44/90/05/871449005.db2.gz	NEGDBIXODBEPEI-QZTJIDSGSA-N	1	0	366.465	1.820	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@H]1OC	ZINC001212472009	871510720	/nfs/dbraw/zinc/51/07/20/871510720.db2.gz	HXINTSGRQALPIE-SZVBFZGTSA-N	1	0	362.470	1.841	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)NC(=O)C2CCCC2)C[C@H]1C	ZINC001106166972	871522858	/nfs/dbraw/zinc/52/28/58/871522858.db2.gz	GJYJFGQQAPAEST-JFIYKMOQSA-N	1	0	363.502	1.015	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]2C)nc1	ZINC000994390646	882533245	/nfs/dbraw/zinc/53/32/45/882533245.db2.gz	QJPOXHOMTCNHCK-LZLYRXPVSA-N	1	0	368.481	1.229	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)[C@H](C)C1	ZINC001106179447	871631670	/nfs/dbraw/zinc/63/16/70/871631670.db2.gz	QXGHQIIFDATXAA-JFGNBEQYSA-N	1	0	358.870	1.033	20	30		FDEDRO
C=C[C@H](C(=O)N1CC(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1)c1ccccc1	ZINC001002881210	871651275	/nfs/dbraw/zinc/65/12/75/871651275.db2.gz	YEJMSUPENCTLLZ-AYOQOUSVSA-N	1	0	371.481	1.250	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@]3(C)C2)C1	ZINC000992755948	871923691	/nfs/dbraw/zinc/92/36/91/871923691.db2.gz	FJSDRBDUGUGSOG-NBQZKYEYSA-N	1	0	369.469	1.149	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1OC	ZINC001212487044	872145271	/nfs/dbraw/zinc/14/52/71/872145271.db2.gz	PFKDPIDBPJBHHP-RTBURBONSA-N	1	0	357.498	1.584	20	30		FDEDRO
CC(C)(C#N)CS(=O)(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO	ZINC000914299542	872233406	/nfs/dbraw/zinc/23/34/06/872233406.db2.gz	VJCRITOTWYXTTR-DLBZAZTESA-N	1	0	365.499	1.339	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C)cc1	ZINC000994401667	882603287	/nfs/dbraw/zinc/60/32/87/882603287.db2.gz	KBQRUXNQMPKHKH-ATZDWAIDSA-N	1	0	353.466	1.586	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@]2(C)C1	ZINC000992808785	872424512	/nfs/dbraw/zinc/42/45/12/872424512.db2.gz	XSZSRVKVPKCTOG-RIFZZMRRSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCc2ccnn2C)C1	ZINC001033496407	882624955	/nfs/dbraw/zinc/62/49/55/882624955.db2.gz	KBRSDXFXPMOFDA-QYZOEREBSA-N	1	0	360.502	1.867	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@]2(C)C1	ZINC000992813662	872498349	/nfs/dbraw/zinc/49/83/49/872498349.db2.gz	AWQKHBLDNZTFKP-NBQZKYEYSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc3nnc(C)n3c2)[C@H](OC)C1	ZINC001212496045	872521081	/nfs/dbraw/zinc/52/10/81/872521081.db2.gz	WJUJKTGXBMRGSO-IAOVAPTHSA-N	1	0	357.458	1.821	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCc2ccnn2C)C1	ZINC001033496406	882624558	/nfs/dbraw/zinc/62/45/58/882624558.db2.gz	KBRSDXFXPMOFDA-FHWLQOOXSA-N	1	0	360.502	1.867	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCCN2CCCC2=O)C1	ZINC001033500139	882635098	/nfs/dbraw/zinc/63/50/98/882635098.db2.gz	VNKFGNXWFNONJC-AOIWGVFYSA-N	1	0	363.502	1.513	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccnn2C(C)C)C[C@H]1C	ZINC001106181507	873021519	/nfs/dbraw/zinc/02/15/19/873021519.db2.gz	QDYHAUCEYORPGF-BZUAXINKSA-N	1	0	361.490	1.452	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C[NH2+]CC#Cc1cccc(Cl)c1	ZINC001106183971	873067260	/nfs/dbraw/zinc/06/72/60/873067260.db2.gz	XVIBWWKPYRHSBB-NVXWUHKLSA-N	1	0	371.872	1.667	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]C[C@H](CC)OC)C2)nn1	ZINC001112541942	873079214	/nfs/dbraw/zinc/07/92/14/873079214.db2.gz	XIXLHJCVYFGGGX-BXWFABGCSA-N	1	0	361.490	1.721	20	30		FDEDRO
C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1CN(C(=O)[C@H]1CCCc3nc[nH]c31)C2	ZINC000992894148	873103413	/nfs/dbraw/zinc/10/34/13/873103413.db2.gz	CBEQOWVMNMPKTA-CKJXQJPGSA-N	1	0	366.465	1.550	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](C)C2CC2)CC1	ZINC001003363574	873216961	/nfs/dbraw/zinc/21/69/61/873216961.db2.gz	QVVCGCACSSCAIO-PIKADFDJSA-N	1	0	357.498	1.626	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cocc2C)CC1	ZINC001003363721	873218074	/nfs/dbraw/zinc/21/80/74/873218074.db2.gz	SQFZJYPCVBWINV-QRQLOZEOSA-N	1	0	369.465	1.795	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccns2)C[C@H]1C	ZINC001106196052	873355778	/nfs/dbraw/zinc/35/57/78/873355778.db2.gz	TYECVKCCIMNBLX-HUUCEWRRSA-N	1	0	362.499	1.641	20	30		FDEDRO
C[C@@H]1[C@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC[N@@H+]1C	ZINC000922184999	873562980	/nfs/dbraw/zinc/56/29/80/873562980.db2.gz	VLEAWVXBLKGNFG-XYPHTWIQSA-N	1	0	355.442	1.051	20	30		FDEDRO
O=C(C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C#CC1CC1)C2)NCC(F)(F)F	ZINC001112346025	873661662	/nfs/dbraw/zinc/66/16/62/873661662.db2.gz	ZCHXKZWKIIWBRA-YOEHRIQHSA-N	1	0	371.403	1.297	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)c4ccco4)C[C@@]3(C)C2)CC1	ZINC000993018254	873697381	/nfs/dbraw/zinc/69/73/81/873697381.db2.gz	HANWWJIQXBVROE-LAUBAEHRSA-N	1	0	369.465	1.545	20	30		FDEDRO
Cc1cc(C#N)nc(N(C)[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001061280958	873727604	/nfs/dbraw/zinc/72/76/04/873727604.db2.gz	KCCPBYKAOWYPBI-DJIMGWMZSA-N	1	0	356.474	1.424	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1	ZINC001003650393	873922584	/nfs/dbraw/zinc/92/25/84/873922584.db2.gz	SAKSJZPEHGWOHX-MSOLQXFVSA-N	1	0	357.454	1.457	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(C)n2C)[C@@H](n2ccnn2)C1	ZINC001128694827	882779814	/nfs/dbraw/zinc/77/98/14/882779814.db2.gz	QWPMYYWQMODMAE-JZXOWHBKSA-N	1	0	356.474	1.935	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc3c(o2)CCCC3)C[C@H]1C	ZINC001106233201	874041182	/nfs/dbraw/zinc/04/11/82/874041182.db2.gz	YNLNMFMESFQRSN-HLLBOEOZSA-N	1	0	371.481	1.594	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccccc2O)[C@@H](n2ccnn2)C1	ZINC001128704942	882809892	/nfs/dbraw/zinc/80/98/92/882809892.db2.gz	AUPOZHWVFRWZFO-UAGQMJEPSA-N	1	0	355.442	1.994	20	30		FDEDRO
CCn1nc(C2CC2)cc1C(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1	ZINC001106297082	874581043	/nfs/dbraw/zinc/58/10/43/874581043.db2.gz	SEEBYEWSSSIGFH-NVXWUHKLSA-N	1	0	358.486	1.728	20	30		FDEDRO
CCc1ccccc1CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106305667	874668314	/nfs/dbraw/zinc/66/83/14/874668314.db2.gz	FNMRRLPHUPLKTJ-CRAIPNDOSA-N	1	0	356.470	1.115	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccsc2)C[C@H]1C	ZINC001106316065	874757587	/nfs/dbraw/zinc/75/75/87/874757587.db2.gz	BHNSYPUFKOILKY-MXASKKJJSA-N	1	0	361.511	1.838	20	30		FDEDRO
CCC/C=C\CC[N@@H+]1C[C@@H](NC(=O)CSCC#N)[C@@H](n2ccnn2)C1	ZINC001128724210	882862139	/nfs/dbraw/zinc/86/21/39/882862139.db2.gz	VONWNNDRUSTJOZ-MSNYOWOLSA-N	1	0	362.503	1.623	20	30		FDEDRO
CC(C)(C)CC[N@@H+]1C[C@@H](NC(=O)CSCC#N)[C@@H](n2ccnn2)C1	ZINC001128723732	882875619	/nfs/dbraw/zinc/87/56/19/882875619.db2.gz	BVRHTWJNYNEHGJ-KGLIPLIRSA-N	1	0	350.492	1.313	20	30		FDEDRO
C[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106368580	874951978	/nfs/dbraw/zinc/95/19/78/874951978.db2.gz	YFRDKZUXSXFGII-IEBWSBKVSA-N	1	0	368.481	1.138	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc3ccccc3s2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106384161	875003973	/nfs/dbraw/zinc/00/39/73/875003973.db2.gz	BCXRQKYUKSYKNB-UKRRQHHQSA-N	1	0	370.478	1.839	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc(COC)c2)C[C@H]1C	ZINC001106387006	875022467	/nfs/dbraw/zinc/02/24/67/875022467.db2.gz	SZGPGRDJJURBDY-JTDSTZFVSA-N	1	0	371.481	1.269	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H](c2ccccc2)C2CC2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106421905	875219367	/nfs/dbraw/zinc/21/93/67/875219367.db2.gz	HMROBCBOUBTAMP-XFQXTVEOSA-N	1	0	368.481	1.504	20	30		FDEDRO
CC(=NNC(N)=[NH2+])c1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1	ZINC000915051245	875352879	/nfs/dbraw/zinc/35/28/79/875352879.db2.gz	ZBEWQSUMUBHGAV-UHFFFAOYSA-N	1	0	363.418	1.511	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)[C@@H]2C1	ZINC000272269059	875377174	/nfs/dbraw/zinc/37/71/74/875377174.db2.gz	AWPQHVKOWDFULJ-TZMCWYRMSA-N	1	0	358.446	1.001	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)Cc2cn(CC)nn2)C[C@H]1C	ZINC001106461015	875446856	/nfs/dbraw/zinc/44/68/56/875446856.db2.gz	GDTXJZVHJHGFNY-DGCLKSJQSA-N	1	0	370.295	1.433	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)NCc1ccc(F)cc1)C2	ZINC001112542569	882936669	/nfs/dbraw/zinc/93/66/69/882936669.db2.gz	GCTUOCFKHGCSIU-UWJYYQICSA-N	1	0	371.456	1.684	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2COCCN2CC(F)F)C[C@H]1C	ZINC001106476816	875579410	/nfs/dbraw/zinc/57/94/10/875579410.db2.gz	ZCYPEYPTIWLDLN-BZUAXINKSA-N	1	0	359.461	1.603	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]CCNC(=O)C2CC2)[C@H](C)C1	ZINC001106486321	875640864	/nfs/dbraw/zinc/64/08/64/875640864.db2.gz	OJKIZTFRUWEPTM-WRWLIDTKSA-N	1	0	365.518	1.426	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cncn3)nc2)C[C@H]1C	ZINC001106502292	875730666	/nfs/dbraw/zinc/73/06/66/875730666.db2.gz	ZSCCOIDTSWAKHA-NVXWUHKLSA-N	1	0	370.457	1.163	20	30		FDEDRO
CC(C)CNC(=O)C1CCN(CC(=O)NCc2cccc(C#N)c2)CC1	ZINC000915216639	875743103	/nfs/dbraw/zinc/74/31/03/875743103.db2.gz	SAKDRXOBTAELRM-UHFFFAOYSA-N	1	0	356.470	1.659	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc3cc(F)ccc3[nH]2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106505156	875754625	/nfs/dbraw/zinc/75/46/25/875754625.db2.gz	HOWOPEXYPCBELV-TZMCWYRMSA-N	1	0	371.416	1.244	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cn2nc3ccccn3c2=O)C[C@H]1C	ZINC001106507121	875759251	/nfs/dbraw/zinc/75/92/51/875759251.db2.gz	ZGICUFPQYWXHHJ-BRWVUGGUSA-N	1	0	371.485	1.535	20	30		FDEDRO
C#CC[C@@H](CO)NC(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1	ZINC000915220833	875765139	/nfs/dbraw/zinc/76/51/39/875765139.db2.gz	FHUNXRAEGQDADS-SFHVURJKSA-N	1	0	359.470	1.591	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)n2ccc(C)n2)C[C@H]1C	ZINC001106517863	875814734	/nfs/dbraw/zinc/81/47/34/875814734.db2.gz	WYZDEWYXRNNULO-HYVNUMGLSA-N	1	0	361.490	1.129	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NCCCOC)[C@H](C)C1	ZINC001106518169	875815975	/nfs/dbraw/zinc/81/59/75/875815975.db2.gz	GVWFXOYIJBZCJK-IXDOHACOSA-N	1	0	367.534	1.814	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCO[C@H](C)C2)[C@H](C)C1	ZINC001106518312	875816000	/nfs/dbraw/zinc/81/60/00/875816000.db2.gz	LEVWESJJYBUIBO-BRWVUGGUSA-N	1	0	365.518	1.520	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCC2(C3(O)CCOCC3)CC2)CC1	ZINC000917098023	882967116	/nfs/dbraw/zinc/96/71/16/882967116.db2.gz	QNDZKQMPLIMPCW-UHFFFAOYSA-N	1	0	351.491	1.648	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)[C@H](C)C1	ZINC001106533765	875886264	/nfs/dbraw/zinc/88/62/64/875886264.db2.gz	JYWWEXBFVQLFAS-FGTMMUONSA-N	1	0	368.543	1.689	20	30		FDEDRO
C[C@H]1CN(C(=O)CCNC(=O)C2N=CC=CC2=O)CCN1c1cc[nH+]cc1	ZINC000915281929	875931311	/nfs/dbraw/zinc/93/13/11/875931311.db2.gz	BJWHWKKGMVLQCS-HLAUDOPJSA-N	1	0	369.425	1.035	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2nncs2)[C@H](C)C1	ZINC001106567885	875978138	/nfs/dbraw/zinc/97/81/38/875978138.db2.gz	WIWIPLRMXYXLKQ-MGPQQGTHSA-N	1	0	365.503	1.763	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1C	ZINC001106572921	875990159	/nfs/dbraw/zinc/99/01/59/875990159.db2.gz	KBEQENGCLQHMOC-RAIGVLPGSA-N	1	0	358.280	1.200	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CN=Nc2nccc(N3CCOCC3)n2)cc1	ZINC000762600875	876216535	/nfs/dbraw/zinc/21/65/35/876216535.db2.gz	SRYZDYWUPRKLBA-UHFFFAOYSA-N	1	0	370.457	1.700	20	30		FDEDRO
Cc1ccc(C)c(CC(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)c1	ZINC001106623070	876253953	/nfs/dbraw/zinc/25/39/53/876253953.db2.gz	FRIOHRJMKFYEHK-SJLPKXTDSA-N	1	0	356.470	1.170	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](OC)C(C)C)C[C@H]1C	ZINC001106625590	876259403	/nfs/dbraw/zinc/25/94/03/876259403.db2.gz	QELBKMUXPYSHBC-NUJGCVRESA-N	1	0	366.506	1.104	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)[C@H](C)C1	ZINC001106629069	876274477	/nfs/dbraw/zinc/27/44/77/876274477.db2.gz	DCIZLIWPGCHUSI-INMHGKMJSA-N	1	0	359.536	1.164	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H](C[NH2+]C[C@H](O)COCCOC)[C@H](C)C2)CC1	ZINC001106633203	876283882	/nfs/dbraw/zinc/28/38/82/876283882.db2.gz	CZYVCLVMTZCHOT-KURKYZTESA-N	1	0	368.518	1.441	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1C	ZINC001106636581	876325585	/nfs/dbraw/zinc/32/55/85/876325585.db2.gz	LXPWHSYWMVTOLA-ZIAGYGMSSA-N	1	0	365.453	1.271	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(C)C)[C@H](C)C1	ZINC001106680363	876547549	/nfs/dbraw/zinc/54/75/49/876547549.db2.gz	MNEPVFNBQURQGQ-VQHPVUNQSA-N	1	0	351.491	1.034	20	30		FDEDRO
CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)c1ccccc1	ZINC001106706398	876852222	/nfs/dbraw/zinc/85/22/22/876852222.db2.gz	ZJBWDSPXEJCJMX-POAQFYNOSA-N	1	0	370.497	1.750	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1C	ZINC001106708547	876916864	/nfs/dbraw/zinc/91/68/64/876916864.db2.gz	YEMMFEXRWRIGAA-KFWWJZLASA-N	1	0	350.463	1.015	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)OCCOC)C[C@H]1C	ZINC001106726124	876989892	/nfs/dbraw/zinc/98/98/92/876989892.db2.gz	CAGLERMGZYDWNG-KWCYVHTRSA-N	1	0	363.296	1.631	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2csnn2)[C@H](C)C1	ZINC001106733383	877271475	/nfs/dbraw/zinc/27/14/75/877271475.db2.gz	UNCHYOPVUZTBHB-XPKDYRNWSA-N	1	0	365.503	1.193	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)C[C@H]1C	ZINC001106738607	877334374	/nfs/dbraw/zinc/33/43/74/877334374.db2.gz	IRPRFXIRZLMYGW-FDMSBESTSA-N	1	0	367.493	1.559	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)c1ccc(C)o1)C2	ZINC001112542212	877339539	/nfs/dbraw/zinc/33/95/39/877339539.db2.gz	LJCGUEZPDDLVTG-WWMYMODYSA-N	1	0	371.481	1.659	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)C[C@H]1C	ZINC001106738923	877341894	/nfs/dbraw/zinc/34/18/94/877341894.db2.gz	KVPLIYVQXCMDBA-MCUYSKAESA-N	1	0	352.478	1.906	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CCc2nc(C3CC3)no2)C[C@H]1C	ZINC001106741300	877400441	/nfs/dbraw/zinc/40/04/41/877400441.db2.gz	JHKBAEREOSQBMU-GDBMZVCRSA-N	1	0	362.474	1.766	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(C)CCOCC2)C[C@H]1C	ZINC001106767442	877645611	/nfs/dbraw/zinc/64/56/11/877645611.db2.gz	BTZSMGPWAXROET-BZUAXINKSA-N	1	0	351.491	1.178	20	30		FDEDRO
Cc1ccc(Cl)cc1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106777071	877771151	/nfs/dbraw/zinc/77/11/51/877771151.db2.gz	SQNASKXEWMLBCQ-ZIAGYGMSSA-N	1	0	362.861	1.586	20	30		FDEDRO
CON=Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)cc1	ZINC000922350664	877834793	/nfs/dbraw/zinc/83/47/93/877834793.db2.gz	OFFXJWDLEODNKQ-IBGZPJMESA-N	1	0	374.485	1.193	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1	ZINC000922432086	878177172	/nfs/dbraw/zinc/17/71/72/878177172.db2.gz	LHKRUPGDYLZWIS-KRWDZBQOSA-N	1	0	361.490	1.063	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000272645569	878195336	/nfs/dbraw/zinc/19/53/36/878195336.db2.gz	ZVEWOGOUOZHOCA-SFHVURJKSA-N	1	0	369.469	1.837	20	30		FDEDRO
C#CCN(C(=O)NCc1ccc(C[S@](C)=O)cc1)C1CC[NH+](C)CC1	ZINC000922472722	878295654	/nfs/dbraw/zinc/29/56/54/878295654.db2.gz	HKICKWJJXSBKNS-VWLOTQADSA-N	1	0	361.511	1.804	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4CC45CC5)C[C@]3(C)C2)CC1	ZINC000993509121	878453125	/nfs/dbraw/zinc/45/31/25/878453125.db2.gz	VEKUFSLBLGICHL-LQWHRVPQSA-N	1	0	369.509	1.439	20	30		FDEDRO
C=CCn1c(CNC(=O)c2cccs2)nnc1N1CC[NH+](CCC)CC1	ZINC000282362584	878547963	/nfs/dbraw/zinc/54/79/63/878547963.db2.gz	TVPMYIHMKYYKNS-UHFFFAOYSA-N	1	0	374.514	1.988	20	30		FDEDRO
O=C(C#CC1CC1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2	ZINC001004273513	878741314	/nfs/dbraw/zinc/74/13/14/878741314.db2.gz	SGZICTUCTGYZCW-FTEYMNFISA-N	1	0	355.482	1.522	20	30		FDEDRO
C=CCc1cc(C[NH2+]C[C@@]2(OC)CCS(=O)(=O)C2)cc(OC)c1O	ZINC000922614057	878784798	/nfs/dbraw/zinc/78/47/98/878784798.db2.gz	BWOZHQDMTAXZBE-KRWDZBQOSA-N	1	0	355.456	1.423	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CCC[NH+]2CCC4)C3)c1	ZINC001004283914	878945227	/nfs/dbraw/zinc/94/52/27/878945227.db2.gz	DMWRCVYCZDWBJR-INMHGKMJSA-N	1	0	367.453	1.376	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCO[C@@H]3C[N@H+](CC[C@H]4CCCO4)C[C@@H]32)cc1	ZINC001083160258	912417039	/nfs/dbraw/zinc/41/70/39/912417039.db2.gz	RAYFLBQPEPNUMW-HSALFYBXSA-N	1	0	354.450	1.762	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1C[C@@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O	ZINC000922731092	879131947	/nfs/dbraw/zinc/13/19/47/879131947.db2.gz	LGEFVFZAQYQPLS-MWKCUULMSA-N	1	0	365.518	1.889	20	30		FDEDRO
C[C@@H](C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O)[NH+]1CCCCCC1	ZINC001083831634	879139478	/nfs/dbraw/zinc/13/94/78/879139478.db2.gz	UXCOSGMTNIVOQX-TYPHKJRUSA-N	1	0	369.509	1.464	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@@H]1O	ZINC001083832859	879243626	/nfs/dbraw/zinc/24/36/26/879243626.db2.gz	XZKIJFMXXYAMTM-AQNXPRMDSA-N	1	0	370.497	1.482	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)nc1	ZINC001004391618	879323237	/nfs/dbraw/zinc/32/32/37/879323237.db2.gz	SHLHMAODDBCPCI-NXHRZFHOSA-N	1	0	364.449	1.020	20	30		FDEDRO
C#CCN(C(=O)NCc1ccccc1S(C)(=O)=O)C1CC[NH+](C)CC1	ZINC000922881762	879590136	/nfs/dbraw/zinc/59/01/36/879590136.db2.gz	QUHVMSNKGIXNEL-UHFFFAOYSA-N	1	0	363.483	1.329	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CCO[C@H]2c2c(C)nn(C)c2C)CC1	ZINC000922885133	879730944	/nfs/dbraw/zinc/73/09/44/879730944.db2.gz	JQLQOQYTVIKPAA-QFBILLFUSA-N	1	0	373.501	1.511	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1	ZINC001004523602	879789091	/nfs/dbraw/zinc/78/90/91/879789091.db2.gz	GWDGBWIJOPVWBH-KSZLIROESA-N	1	0	363.502	1.274	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc3ccsc32)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106834671	879804926	/nfs/dbraw/zinc/80/49/26/879804926.db2.gz	KLLRNWRLYOTYHH-UKRRQHHQSA-N	1	0	370.478	1.839	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC(=O)NC)CC1	ZINC001004576638	879888919	/nfs/dbraw/zinc/88/89/19/879888919.db2.gz	OVFLXYWPLSHXBC-SCTDSRPQSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CCOC3CCC3)C[C@@H]2O)cc1	ZINC001083842449	879892156	/nfs/dbraw/zinc/89/21/56/879892156.db2.gz	MRRANWFRAZHZBQ-MOPGFXCFSA-N	1	0	358.438	1.043	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)c2ccccc2C[NH+](C)C)C1	ZINC000993878571	879946282	/nfs/dbraw/zinc/94/62/82/879946282.db2.gz	PEYZUEFTIRHUBB-MOPGFXCFSA-N	1	0	371.481	1.670	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)c3ccn(C)c3)[C@H](C)C2)CC1	ZINC000993889795	879981253	/nfs/dbraw/zinc/98/12/53/879981253.db2.gz	KRMDQJRXMTXCJG-VQIMIIECSA-N	1	0	370.497	1.195	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC000993910205	880119659	/nfs/dbraw/zinc/11/96/59/880119659.db2.gz	XCTWBQZACZSAMK-UNEWFSDZSA-N	1	0	369.469	1.052	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC000993918444	880147349	/nfs/dbraw/zinc/14/73/49/880147349.db2.gz	LMXYDLOKDIIJAR-QBIMZIAESA-N	1	0	369.469	1.052	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC000993919825	880151568	/nfs/dbraw/zinc/15/15/68/880151568.db2.gz	ZFCMDGLHYVCTQD-NVXWUHKLSA-N	1	0	371.485	1.443	20	30		FDEDRO
C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000272710342	880360405	/nfs/dbraw/zinc/36/04/05/880360405.db2.gz	CMHZOVRAXSRJDY-MSOLQXFVSA-N	1	0	369.469	1.789	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC000994006082	880383790	/nfs/dbraw/zinc/38/37/90/880383790.db2.gz	ZBBKZKFODFOQGI-QGPMSJSTSA-N	1	0	371.485	1.583	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc3cnccc3c2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106839346	880428621	/nfs/dbraw/zinc/42/86/21/880428621.db2.gz	CQTGBJNZXUHUGM-RDTXWAMCSA-N	1	0	365.437	1.172	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)CCN3C)C[C@H]1C	ZINC001106842130	880641913	/nfs/dbraw/zinc/64/19/13/880641913.db2.gz	YPRYAEOFWGBSTH-VQIMIIECSA-N	1	0	355.482	1.626	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H](C)C2)cn1	ZINC000994092064	880643505	/nfs/dbraw/zinc/64/35/05/880643505.db2.gz	MHAPXTDGHOHJFC-FXRXJOCMSA-N	1	0	368.481	1.227	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CNC(=O)c2cscn2)C[C@H]1C	ZINC001106843629	880835647	/nfs/dbraw/zinc/83/56/47/880835647.db2.gz	JELPOYYWPSYZMX-ZYHUDNBSSA-N	1	0	356.879	1.310	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3ccc(F)cc3Cl)[C@H]2C1	ZINC001083183848	912618699	/nfs/dbraw/zinc/61/86/99/912618699.db2.gz	ZHZCNWKIBBCFDH-DLBZAZTESA-N	1	0	350.821	1.957	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)/C=C/C3CC3)C[C@H]2C)CC1	ZINC000994136753	880895964	/nfs/dbraw/zinc/89/59/64/880895964.db2.gz	QDGQWLAKOYPAMU-HVMFBIMJSA-N	1	0	357.498	1.509	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)/C=C\C3CC3)C[C@H]2C)CC1	ZINC000994136754	880897711	/nfs/dbraw/zinc/89/77/11/880897711.db2.gz	QDGQWLAKOYPAMU-QXJVMSCWSA-N	1	0	357.498	1.509	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2ccc(C)nc2)C[C@H]1C	ZINC000994195522	880989203	/nfs/dbraw/zinc/98/92/03/880989203.db2.gz	YGYVHOTYWMVZQR-LZQZEXGQSA-N	1	0	368.481	1.312	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2(C(=O)N(C)C)CC2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001106860641	881172907	/nfs/dbraw/zinc/17/29/07/881172907.db2.gz	JKJVKMGVWMUJHP-CRAIPNDOSA-N	1	0	368.481	1.611	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[N@@H+]4CCC[C@H]4C3)C2=O)cc1	ZINC000272733462	881191442	/nfs/dbraw/zinc/19/14/42/881191442.db2.gz	HHODWJDBMMMCAF-ROUUACIJSA-N	1	0	367.453	1.543	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CCC[N@H+]2C)cn1	ZINC001004744522	881197174	/nfs/dbraw/zinc/19/71/74/881197174.db2.gz	LXQKVTDIAWPCIV-BDXSIMOUSA-N	1	0	352.438	1.019	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCc4ccccc43)C[C@@H]2O)nn1	ZINC001083846869	881208568	/nfs/dbraw/zinc/20/85/68/881208568.db2.gz	XAAROGQIDWNZMN-NEWSRXKRSA-N	1	0	367.453	1.317	20	30		FDEDRO
CCN(C(=O)[C@H]1C[C@@H](C)CC(=O)N1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC001033836086	883187768	/nfs/dbraw/zinc/18/77/68/883187768.db2.gz	DWEKAWKCXCTGGS-AYOQOUSVSA-N	1	0	368.481	1.896	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC001005398932	883213812	/nfs/dbraw/zinc/21/38/12/883213812.db2.gz	LXGVGMMZFRNTHD-FHLIZLRMSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC[NH+]([C@@H]2CCCN(C)C2=O)CC1	ZINC001005405214	883236080	/nfs/dbraw/zinc/23/60/80/883236080.db2.gz	AFWYIJJRPRSNLF-KURKYZTESA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1	ZINC001033903984	883428477	/nfs/dbraw/zinc/42/84/77/883428477.db2.gz	NGOWVDDNKFNPHU-QRVBRYPASA-N	1	0	365.518	1.365	20	30		FDEDRO
CCN(C(=O)[C@H]1C[C@H]1C(=O)N(C)C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC001033957550	883587987	/nfs/dbraw/zinc/58/79/87/883587987.db2.gz	NBUBAAJNZWMQQV-OTWHNJEPSA-N	1	0	368.481	1.705	20	30		FDEDRO
C#CCN(C(=O)NCCCN(C(=O)C1CCC1)C1CC1)C1CC[NH+](C)CC1	ZINC000917649233	883622670	/nfs/dbraw/zinc/62/26/70/883622670.db2.gz	SAELCFCXXALMJQ-UHFFFAOYSA-N	1	0	374.529	1.907	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cccc(C(N)=O)c2)C1	ZINC000999428332	912752389	/nfs/dbraw/zinc/75/23/89/912752389.db2.gz	QAUYARBCRXMTBA-HIEASXQVSA-N	1	0	357.454	1.456	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCOC2)[C@@H](n2ccnn2)C1	ZINC001128845363	883827904	/nfs/dbraw/zinc/82/79/04/883827904.db2.gz	DREOTEUAKAIFQL-KURKYZTESA-N	1	0	361.490	1.793	20	30		FDEDRO
CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCO[C@H]2c2nccn2C)CC1	ZINC001005523369	883915081	/nfs/dbraw/zinc/91/50/81/883915081.db2.gz	AAWATNRWJLFMTC-QZTJIDSGSA-N	1	0	358.486	1.834	20	30		FDEDRO
C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)C1	ZINC001117894080	884026927	/nfs/dbraw/zinc/02/69/27/884026927.db2.gz	FBKQNVWTUGANMC-LPHOPBHVSA-N	1	0	358.417	1.183	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ncccc2O)[C@@H](n2ccnn2)C1	ZINC001128914429	884102661	/nfs/dbraw/zinc/10/26/61/884102661.db2.gz	XVBCTFFIDDVBRC-KFWWJZLASA-N	1	0	356.430	1.389	20	30		FDEDRO
C[C@H]1CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000498095363	884156447	/nfs/dbraw/zinc/15/64/47/884156447.db2.gz	QOECJZGZGOUVCN-MAUKXSAKSA-N	1	0	356.470	1.753	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC(C)(C)C1	ZINC001089418895	884160246	/nfs/dbraw/zinc/16/02/46/884160246.db2.gz	BPKBUMVYTKEUJY-MJBXVCDLSA-N	1	0	362.392	1.573	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001128939677	884186931	/nfs/dbraw/zinc/18/69/31/884186931.db2.gz	XROZNEALGSJZNT-MOPGFXCFSA-N	1	0	351.454	1.932	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)NC[C@H]1COCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001061749828	884351479	/nfs/dbraw/zinc/35/14/79/884351479.db2.gz	MLIVLNJLBWNPLI-YESZJQIVSA-N	1	0	365.518	1.663	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](C)[NH+]2CCCCC2)cc1	ZINC000918374009	884382414	/nfs/dbraw/zinc/38/24/14/884382414.db2.gz	SFOVEOUXLQRQNW-HNNXBMFYSA-N	1	0	363.483	1.202	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2n[nH]cc2C)[C@@H](n2ccnn2)C1	ZINC001128966757	884479198	/nfs/dbraw/zinc/47/91/98/884479198.db2.gz	MJCPOZWTHPPGGE-CVEARBPZSA-N	1	0	357.462	1.711	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C)C[C@@H]1n1ccnn1	ZINC001128962730	884487886	/nfs/dbraw/zinc/48/78/86/884487886.db2.gz	ZVTNBRAKOSMRRX-HBFSDRIKSA-N	1	0	369.469	1.455	20	30		FDEDRO
CC(C)(C)C#CC(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@@H]1n1ccnn1	ZINC001128980075	884567070	/nfs/dbraw/zinc/56/70/70/884567070.db2.gz	MHYWBWJSHQFAPM-CABCVRRESA-N	1	0	365.428	1.714	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)cc1	ZINC000262754261	884584915	/nfs/dbraw/zinc/58/49/15/884584915.db2.gz	KDPZTSWPZURJQA-INIZCTEOSA-N	1	0	353.426	1.976	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCCNC2=O)CC1	ZINC001034753065	884963474	/nfs/dbraw/zinc/96/34/74/884963474.db2.gz	GMEFSJNJHFQRSB-ATIWLJMLSA-N	1	0	363.502	1.653	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCc2cnn(C)c2)CC1	ZINC001034754690	884965519	/nfs/dbraw/zinc/96/55/19/884965519.db2.gz	OMSNELMBPWHNPS-VJANTYMQSA-N	1	0	360.502	1.961	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnns2)C1	ZINC000999523937	912884100	/nfs/dbraw/zinc/88/41/00/912884100.db2.gz	LLDAYRFNPXIXQE-BGHVQYPCSA-N	1	0	350.488	1.988	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(C[NH2+][C@H]2CCN(C)C2=O)cc1	ZINC001034827190	885233299	/nfs/dbraw/zinc/23/32/99/885233299.db2.gz	UQGMKZDRELKNFS-SQNIBIBYSA-N	1	0	357.454	1.214	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cccn2CC=C)[C@@H](n2ccnn2)C1	ZINC001129043798	885522219	/nfs/dbraw/zinc/52/22/19/885522219.db2.gz	YRCHCMQECFOUJA-AEFFLSMTSA-N	1	0	354.458	1.887	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)Cc2cnccc2C)[C@@H](n2ccnn2)C1	ZINC001129052770	885581666	/nfs/dbraw/zinc/58/16/66/885581666.db2.gz	LAHOSJIEPZEBKY-MSOLQXFVSA-N	1	0	354.458	1.532	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC(C)(C)C1	ZINC001089491152	885624987	/nfs/dbraw/zinc/62/49/87/885624987.db2.gz	JCMCMIKHMYZRGB-ZACQAIPSSA-N	1	0	365.518	1.805	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCn3nc(C)cc3C)[C@H](C)C2)cn1	ZINC001106894181	885710781	/nfs/dbraw/zinc/71/07/81/885710781.db2.gz	DNRVCBYUQZZZBH-DNVCBOLYSA-N	1	0	365.481	1.874	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc(Cl)cn2C)[C@@H](n2ccnn2)C1	ZINC001129093495	885723247	/nfs/dbraw/zinc/72/32/47/885723247.db2.gz	HZGMBDXLHKXJOK-ZBFHGGJFSA-N	1	0	362.865	1.892	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(OC)nc2)[C@@H](n2ccnn2)C1	ZINC001129094054	885725804	/nfs/dbraw/zinc/72/58/04/885725804.db2.gz	XMDLXBKFCXHGTC-OIISXLGYSA-N	1	0	370.457	1.692	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC[N@@H+]([C@@H](CC)C(N)=O)C2)CC1	ZINC001035185496	885729736	/nfs/dbraw/zinc/72/97/36/885729736.db2.gz	AYOCPSAOUGFSNX-IKGGRYGDSA-N	1	0	363.502	1.546	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCNC(=O)NC(C)C)[C@H](C)C2)cn1	ZINC001106894255	885739271	/nfs/dbraw/zinc/73/92/71/885739271.db2.gz	HPFBTJTUAFULBA-NVXWUHKLSA-N	1	0	371.485	1.068	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)COCC(F)F)[C@@H](n2ccnn2)C1	ZINC001129128391	885826971	/nfs/dbraw/zinc/82/69/71/885826971.db2.gz	VRXGCDVXHYXSFU-KGLIPLIRSA-N	1	0	371.432	1.504	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc(OC)cs2)[C@@H](n2ccnn2)C1	ZINC001129144263	885861514	/nfs/dbraw/zinc/86/15/14/885861514.db2.gz	MGALETOJLMHZEA-CABCVRRESA-N	1	0	361.471	1.970	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)CC(C)(C)C1	ZINC001089514235	885901497	/nfs/dbraw/zinc/90/14/97/885901497.db2.gz	KJGRBTXUZXQIDU-RYRKJORJSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1OCC[C@@H]1Cn1cccn1)CC2	ZINC001035816053	886470490	/nfs/dbraw/zinc/47/04/90/886470490.db2.gz	ITGMVROPGXRVPB-QZTJIDSGSA-N	1	0	358.486	1.789	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(C[NH+](Cc3cn(C)nc3C)C2)CC1	ZINC001035800536	886483267	/nfs/dbraw/zinc/48/32/67/886483267.db2.gz	HTLWNQNAZLEBLP-MSOLQXFVSA-N	1	0	358.486	1.744	20	30		FDEDRO
C=CCCC1(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]2n2ccnn2)CC1	ZINC001129238748	886747001	/nfs/dbraw/zinc/74/70/01/886747001.db2.gz	IRZNPVHFFDDRDC-ZACQAIPSSA-N	1	0	359.474	1.403	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)NCc2ccc(C)c(C#N)c2)CC1	ZINC000920459942	886955443	/nfs/dbraw/zinc/95/54/43/886955443.db2.gz	GEPMIWVDYBMDPK-INIZCTEOSA-N	1	0	357.502	1.940	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CN(C)c3ccc(C#N)nc3)C2)CC[N@@H+]1C	ZINC001062185593	886956005	/nfs/dbraw/zinc/95/60/05/886956005.db2.gz	PXAKFAWMJLWNHJ-AYOQOUSVSA-N	1	0	355.486	1.968	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)CC[N@@H+](C)CC	ZINC001062240118	886997869	/nfs/dbraw/zinc/99/78/69/886997869.db2.gz	HZHOYZLCKONTTN-KURKYZTESA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC/C=C\CCC)C[C@@H]1n1ccnn1	ZINC001129266161	887042443	/nfs/dbraw/zinc/04/24/43/887042443.db2.gz	IEGMFEVBBKULRG-XZOBEWGMSA-N	1	0	373.501	1.957	20	30		FDEDRO
N#CC1(c2ccc(-n3ccc(=[NH+]CCN4CCOCC4)c(N)c3)cc2)CC1	ZINC001212250019	887078061	/nfs/dbraw/zinc/07/80/61/887078061.db2.gz	YZNWTJGFCIVXHI-UHFFFAOYSA-N	1	0	363.465	1.848	20	30		FDEDRO
Cn1ncc2c1CCC[C@@H]2NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1	ZINC000330220859	887277563	/nfs/dbraw/zinc/27/75/63/887277563.db2.gz	QOXGBGHWLWUWHO-HNNXBMFYSA-N	1	0	357.462	2.287	20	30		FDEDRO
Cc1cc(C#N)cc(NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)n1	ZINC000413581944	887840973	/nfs/dbraw/zinc/84/09/73/887840973.db2.gz	YIHCQRYARLUWIW-UHFFFAOYSA-N	1	0	363.465	2.571	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NCCO[C@H]3CCOC3)CC2)c1	ZINC000923092311	888006173	/nfs/dbraw/zinc/00/61/73/888006173.db2.gz	RGWUABTXMSZIFB-IBGZPJMESA-N	1	0	372.469	1.627	20	30		FDEDRO
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)C1	ZINC000923120786	888088779	/nfs/dbraw/zinc/08/87/79/888088779.db2.gz	XUFNVRWHPZUJEZ-YESZJQIVSA-N	1	0	356.474	1.879	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](CC)[NH+](C)C)c1	ZINC001005970884	888293770	/nfs/dbraw/zinc/29/37/70/888293770.db2.gz	AETHWIALUFVPIN-TVFCKZIOSA-N	1	0	354.454	1.265	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](CCCCOC)C[C@H]1OC	ZINC001212267832	888480269	/nfs/dbraw/zinc/48/02/69/888480269.db2.gz	DTNSCVAFTHIWTO-QZTJIDSGSA-N	1	0	356.507	1.991	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)C23CCC[NH+](CCC2)C3)C1	ZINC000994847031	888820184	/nfs/dbraw/zinc/82/01/84/888820184.db2.gz	JOVWLVNKPBCXGW-SJORKVTESA-N	1	0	361.486	1.171	20	30		FDEDRO
C=CCn1cccc1C(=O)N(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000938614809	888949297	/nfs/dbraw/zinc/94/92/97/888949297.db2.gz	RYHQHUDGTLJAOO-BRWVUGGUSA-N	1	0	358.486	1.687	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1	ZINC000946898854	889222970	/nfs/dbraw/zinc/22/29/70/889222970.db2.gz	AKPPFPQUOSOYLZ-SQNIBIBYSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)CN1CC(N)=O	ZINC001089709210	889274259	/nfs/dbraw/zinc/27/42/59/889274259.db2.gz	PRXINZZPVWYQLH-VYDXJSESSA-N	1	0	351.491	1.450	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#CCOC)C1	ZINC001112543696	889468078	/nfs/dbraw/zinc/46/80/78/889468078.db2.gz	PVYDPKWYJAIBIX-IWFBPKFRSA-N	1	0	360.498	1.836	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC000946909187	889511161	/nfs/dbraw/zinc/51/11/61/889511161.db2.gz	JRLKKKKNWKHFTN-BGTYHANMSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1C1CCC1)C2	ZINC001112543842	889606137	/nfs/dbraw/zinc/60/61/37/889606137.db2.gz	ZATOBNLGXNYTHX-UGNRZPKXSA-N	1	0	359.514	1.943	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCN(c2ccc(C)cc2)C1=O	ZINC001127608819	889727457	/nfs/dbraw/zinc/72/74/57/889727457.db2.gz	IJZJBGYMWLWVFG-QRVBRYPASA-N	1	0	371.481	1.787	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)c2cc(Br)c(C)n(C)c2=O)C1	ZINC000923561112	889805329	/nfs/dbraw/zinc/80/53/29/889805329.db2.gz	RQDZHFQTBNUNAC-LBPRGKRZSA-N	1	0	366.259	1.284	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)C1	ZINC000923575417	889907973	/nfs/dbraw/zinc/90/79/73/889907973.db2.gz	YLDROIRQZMAVFU-OAHLLOKOSA-N	1	0	367.405	1.940	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC1CCC(C)CC1	ZINC001127612928	889923238	/nfs/dbraw/zinc/92/32/38/889923238.db2.gz	HKZNKCUTMVFPCX-BACDZXNISA-N	1	0	351.491	1.368	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1	ZINC000923580116	889958125	/nfs/dbraw/zinc/95/81/25/889958125.db2.gz	YKCHQWKXTLPWBU-SFHVURJKSA-N	1	0	366.465	1.927	20	30		FDEDRO
C[C@H](NC(=O)[C@@H]([NH3+])CO)c1nc(-c2cc(Cl)c(C#N)cc2Cl)no1	ZINC001212305597	889986734	/nfs/dbraw/zinc/98/67/34/889986734.db2.gz	YBKVKDZFDXHGPE-KGFZYKRKSA-N	1	0	370.196	1.412	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)cc1	ZINC000939122653	890043805	/nfs/dbraw/zinc/04/38/05/890043805.db2.gz	AHUGHRNGPXDKSU-LZQZEXGQSA-N	1	0	353.466	1.729	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC(CCNc3cncc(C#N)n3)CC2)CC[N@@H+]1C	ZINC001063341883	890467248	/nfs/dbraw/zinc/46/72/48/890467248.db2.gz	ZZGUUASTCOWMHZ-RHSMWYFYSA-N	1	0	356.474	1.729	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C#N)c[nH]1)C2	ZINC001001904478	891639087	/nfs/dbraw/zinc/63/90/87/891639087.db2.gz	KBDJWXHPVMUVKT-XYVMCAHJSA-N	1	0	369.469	1.622	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C#N)c[nH]1)C2	ZINC001001904567	891639533	/nfs/dbraw/zinc/63/95/33/891639533.db2.gz	MRXWALAMGJWXRA-LHHMISFZSA-N	1	0	369.469	1.622	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[NH+]3CCC2CC3)c[nH]1	ZINC001002142965	891982545	/nfs/dbraw/zinc/98/25/45/891982545.db2.gz	NZUTXKQPARUZQN-XDNAFOTISA-N	1	0	367.453	1.090	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1	ZINC001002201443	892224698	/nfs/dbraw/zinc/22/46/98/892224698.db2.gz	NRVJURDWHAORGD-WMZOPIPTSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)C[NH+]2CCC(C)CC2)C1	ZINC001002220098	892251827	/nfs/dbraw/zinc/25/18/27/892251827.db2.gz	VPCGUCIKRWIJBH-MSOLQXFVSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)C(C)(C)[NH+]2CCCC2)C1	ZINC001002222799	892258530	/nfs/dbraw/zinc/25/85/30/892258530.db2.gz	FVVLJHURRUMPIQ-SJORKVTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)COCCCCCC)C[C@H]1C	ZINC001106919814	892471385	/nfs/dbraw/zinc/47/13/85/892471385.db2.gz	DIYBUELYSWWBQM-FGTMMUONSA-N	1	0	365.518	1.405	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000940502707	892580792	/nfs/dbraw/zinc/58/07/92/892580792.db2.gz	ZDBYJGCRMMGXDQ-SZVBFZGTSA-N	1	0	369.465	1.370	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cnn3c2C[C@@H](C)CC3)C[C@H]1C	ZINC001106931200	892975277	/nfs/dbraw/zinc/97/52/77/892975277.db2.gz	SSZURMAFEFMPIM-GVDBMIGSSA-N	1	0	360.502	1.966	20	30		FDEDRO
CN1CC[NH+](CCCCNC(=O)Nc2nc(Cl)c(C#N)s2)CC1	ZINC000888411068	892981046	/nfs/dbraw/zinc/98/10/46/892981046.db2.gz	LRKVVXWCCXFEOL-UHFFFAOYSA-N	1	0	356.883	1.817	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2OCc3ccccc32)C[C@H]1C	ZINC001106930607	893017738	/nfs/dbraw/zinc/01/77/38/893017738.db2.gz	ADSBQBKAQLPKOY-POAQFYNOSA-N	1	0	356.466	1.982	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2OCc3ccccc32)C[C@H]1C	ZINC001106930793	893021264	/nfs/dbraw/zinc/02/12/64/893021264.db2.gz	FFCYHCHLGPLYFO-SUMDDJOVSA-N	1	0	371.481	1.634	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]CC(=O)NC3CC3)[C@H](C)C2)CCOCC1	ZINC001106931782	893070426	/nfs/dbraw/zinc/07/04/26/893070426.db2.gz	FAVACXNAHHHRLX-HZPDHXFCSA-N	1	0	363.502	1.322	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(OC)c(OC)c2)C[C@H]1C	ZINC001106940351	893124126	/nfs/dbraw/zinc/12/41/26/893124126.db2.gz	MHGHJMIKBQOUCK-NVXWUHKLSA-N	1	0	360.454	1.651	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCOc3c(OC)cccc32)CC1	ZINC000672355850	893175397	/nfs/dbraw/zinc/17/53/97/893175397.db2.gz	YLDNRGKLBWJULD-INIZCTEOSA-N	1	0	373.453	1.402	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CN(C)C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC001002556918	893209210	/nfs/dbraw/zinc/20/92/10/893209210.db2.gz	OTLKHTMZKQLPOC-XYJFISCASA-N	1	0	371.485	1.680	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCOC4)[C@@H]3C2)cc1	ZINC001084222607	913752354	/nfs/dbraw/zinc/75/23/54/913752354.db2.gz	CJJIWEZCCUGOFY-ZHALLVOQSA-N	1	0	355.438	1.658	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)c2cc(C)ccn2)[C@H](OC)C1	ZINC001212451404	893395970	/nfs/dbraw/zinc/39/59/70/893395970.db2.gz	XHIOFWAQKLNWPV-IAGOWNOFSA-N	1	0	361.486	1.686	20	30		FDEDRO
CC1(C)C[N@H+](Cc2ccc(C#N)cc2)CC[C@@H]1NC(=O)[C@H]1C[C@H]1C(N)=O	ZINC000941035919	893656544	/nfs/dbraw/zinc/65/65/44/893656544.db2.gz	VIFPFRPPQCHZRN-IKGGRYGDSA-N	1	0	354.454	1.396	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc3c(c2)CCCC3)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106951061	894016085	/nfs/dbraw/zinc/01/60/85/894016085.db2.gz	PEWXZYAGQQAMRW-DNVCBOLYSA-N	1	0	368.481	1.503	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(OCC)cc2)C[C@H]1C	ZINC001106951033	894027144	/nfs/dbraw/zinc/02/71/44/894027144.db2.gz	NZKAIMAKZABYJN-SJLPKXTDSA-N	1	0	371.481	1.061	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccnn2-c2ccccc2)[C@H](OC)C1	ZINC001212467124	894259435	/nfs/dbraw/zinc/25/94/35/894259435.db2.gz	SAKSIWDPWQHGKE-IEBWSBKVSA-N	1	0	370.453	1.504	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1CC	ZINC000922023655	894427236	/nfs/dbraw/zinc/42/72/36/894427236.db2.gz	KNYSHNSGWOYEMR-UHFFFAOYSA-N	1	0	365.455	1.875	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(c3ccccc3)CC2)C[C@H]1C	ZINC001106953275	894460599	/nfs/dbraw/zinc/46/05/99/894460599.db2.gz	PNYHQXBQRRQDTI-FGTMMUONSA-N	1	0	367.493	1.540	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C(=O)N(C)C)cc1	ZINC000922021688	894468064	/nfs/dbraw/zinc/46/80/64/894468064.db2.gz	CIZBZCOIWWGXIL-UHFFFAOYSA-N	1	0	363.483	1.107	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1	ZINC000941792900	895771176	/nfs/dbraw/zinc/77/11/76/895771176.db2.gz	CPZNDIFHSLIMJE-IXDOHACOSA-N	1	0	351.491	1.225	20	30		FDEDRO
COc1ccc(C#N)cc1CN1CC(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1	ZINC001031992472	896280471	/nfs/dbraw/zinc/28/04/71/896280471.db2.gz	AXKKYPXTZKZFHR-LMMKCTJWSA-N	1	0	355.438	1.682	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3ccncc3)nn2)C1	ZINC000999985436	896514283	/nfs/dbraw/zinc/51/42/83/896514283.db2.gz	CCXXKQXPBBAORO-GBESFXJTSA-N	1	0	364.453	1.363	20	30		FDEDRO
O=C(NO)c1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccn3)C2)cc1	ZINC000671997643	896554875	/nfs/dbraw/zinc/55/48/75/896554875.db2.gz	YUUAVRJCIOESOL-KRWDZBQOSA-N	1	0	368.437	1.729	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2OCCO[C@H]2C)CC2(CCOCC2)C1	ZINC001089945513	896726513	/nfs/dbraw/zinc/72/65/13/896726513.db2.gz	RPZPOMJLWMCYQZ-ULQDDVLXSA-N	1	0	352.475	1.354	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CCCN(C)C(=O)C[N@H+]1CCC[C@@H]1C	ZINC001067524823	896784156	/nfs/dbraw/zinc/78/41/56/896784156.db2.gz	QGNMJUWTFRBCIL-LNLFQRSKSA-N	1	0	365.518	1.759	20	30		FDEDRO
C#CC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)n1	ZINC001128112743	897183834	/nfs/dbraw/zinc/18/38/34/897183834.db2.gz	MOVMMPMBNZRGEW-ZNWBIBPKSA-N	1	0	368.481	1.314	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2ccccc2F)C[C@H]1C	ZINC001106972883	897239706	/nfs/dbraw/zinc/23/97/06/897239706.db2.gz	PPDKPLPENQEHHN-NVXWUHKLSA-N	1	0	361.461	1.745	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COCc2ccccc2)C[C@H]1C	ZINC001106974183	897259055	/nfs/dbraw/zinc/25/90/55/897259055.db2.gz	CZPZJDSZGFVYDW-SJLPKXTDSA-N	1	0	359.470	1.190	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)C1	ZINC001084352178	914152790	/nfs/dbraw/zinc/15/27/90/914152790.db2.gz	WIJQWTBVTQLMFZ-UTRMSSBJSA-N	1	0	366.465	1.506	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCN3CCCC3=O)C[C@H]21	ZINC001084352957	914159241	/nfs/dbraw/zinc/15/92/41/914159241.db2.gz	WAZCBFZQXOQKEG-TVFCKZIOSA-N	1	0	361.486	1.123	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]cc2C)C[C@H]1C	ZINC001106982075	897466112	/nfs/dbraw/zinc/46/61/12/897466112.db2.gz	CLHLMLWRMQEBCM-IAGOWNOFSA-N	1	0	358.486	1.821	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](CCn2nc(C)nc2C)C1	ZINC001032040564	897586730	/nfs/dbraw/zinc/58/67/30/897586730.db2.gz	JWCZXGGBKQVGHY-ROUUACIJSA-N	1	0	361.490	1.314	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](CCCc2nc(C)no2)C1	ZINC001032040759	897592003	/nfs/dbraw/zinc/59/20/03/897592003.db2.gz	UIFIDUFPXCWLHD-WMZOPIPTSA-N	1	0	362.474	1.730	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(Cc2cccnc2)C[C@@H]2CCN(CC#N)C2)CC[N@@H+]1C	ZINC000995268928	897665616	/nfs/dbraw/zinc/66/56/16/897665616.db2.gz	VZZIPDKIRKQEFV-BHIYHBOVSA-N	1	0	355.486	1.596	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C3CC3)C[C@H]2O)nc1	ZINC001078031159	897669032	/nfs/dbraw/zinc/66/90/32/897669032.db2.gz	FSFNGEKUHZCZAW-NHCUHLMSSA-N	1	0	361.445	1.915	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)C[C@H]2O)nc1	ZINC001078031491	897671945	/nfs/dbraw/zinc/67/19/45/897671945.db2.gz	WRADPHQOOBCGMA-WOJBJXKFSA-N	1	0	360.417	1.519	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C3CC3)C[C@H]2O)cn1	ZINC001078032388	897676182	/nfs/dbraw/zinc/67/61/82/897676182.db2.gz	LPLBRSMUMHWHHM-NHCUHLMSSA-N	1	0	361.445	1.915	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCc3ccc(Cl)cc3)C[C@H]2O)cn1	ZINC001078032403	897676252	/nfs/dbraw/zinc/67/62/52/897676252.db2.gz	MDQKUUFGFSFJET-RTBURBONSA-N	1	0	369.852	1.734	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](CC2CC(OCC)C2)C[C@H]1O	ZINC001078082437	897909257	/nfs/dbraw/zinc/90/92/57/897909257.db2.gz	MDTZWOSLSZNBFA-CVMOCDCISA-N	1	0	356.466	1.187	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](C[C@@H](OC)C2CCCC2)C[C@H]1O	ZINC001078082401	897909273	/nfs/dbraw/zinc/90/92/73/897909273.db2.gz	KWRORQIRFMYCSA-NJDAHSKKSA-N	1	0	370.493	1.577	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C	ZINC001078238303	898470332	/nfs/dbraw/zinc/47/03/32/898470332.db2.gz	PXCBXFMUFVIOSC-NXOAAHMSSA-N	1	0	353.507	1.565	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000943199272	898507125	/nfs/dbraw/zinc/50/71/25/898507125.db2.gz	MALUFTIPRFDGOU-BPQIPLTHSA-N	1	0	371.485	1.728	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCCC[C@H](NC(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000943278743	898587429	/nfs/dbraw/zinc/58/74/29/898587429.db2.gz	HWNIFIMANOFERN-SLFFLAALSA-N	1	0	371.525	1.875	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cnn(C)c2)C1	ZINC001078402645	898735583	/nfs/dbraw/zinc/73/55/83/898735583.db2.gz	UJRKZKMBNLPMSZ-KSZLIROESA-N	1	0	362.474	1.108	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@H]2CN(C(=O)[C@]34C[C@H]3COC4)CCCO2)cc1	ZINC001078403874	898740245	/nfs/dbraw/zinc/74/02/45/898740245.db2.gz	LCTXQCBNUPICOL-BJLQDIEVSA-N	1	0	355.438	1.302	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001078472366	898803641	/nfs/dbraw/zinc/80/36/41/898803641.db2.gz	VOHOCMAXCYXQDY-AQNXPRMDSA-N	1	0	369.465	1.856	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2ccc3ccccc32)C[C@H]1C	ZINC001107000861	899056450	/nfs/dbraw/zinc/05/64/50/899056450.db2.gz	ASDILVXNKOBDKP-SJLPKXTDSA-N	1	0	368.481	1.628	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CNc3nc(C)cc(C#N)n3)C2)CC[N@@H+]1C	ZINC001061014835	899067269	/nfs/dbraw/zinc/06/72/69/899067269.db2.gz	WFQSYRLPVDLWII-BHYGNILZSA-N	1	0	356.474	1.647	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccc[nH]2)C[C@H]1C	ZINC001107008893	899478838	/nfs/dbraw/zinc/47/88/38/899478838.db2.gz	BHWTWFAMYPQBSZ-HZPDHXFCSA-N	1	0	359.474	1.003	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C[NH2+]Cc1ncnn1C	ZINC001107016728	899549772	/nfs/dbraw/zinc/54/97/72/899549772.db2.gz	BJQTUXMTHHEYQB-SJLPKXTDSA-N	1	0	351.454	1.441	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CNC(=O)NCc2ccco2)C[C@H]1C	ZINC001107029239	899642070	/nfs/dbraw/zinc/64/20/70/899642070.db2.gz	PSHMAZBMENMDFD-HZPDHXFCSA-N	1	0	362.474	1.729	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCc3ccccc3)C[C@H]21	ZINC001084418103	914381606	/nfs/dbraw/zinc/38/16/06/914381606.db2.gz	VLOUAHZRPFFODG-QHAWAJNXSA-N	1	0	351.494	1.859	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1	ZINC000944304929	900116723	/nfs/dbraw/zinc/11/67/23/900116723.db2.gz	DBIBLSWHJMMYAO-KURKYZTESA-N	1	0	368.437	1.646	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2nccs2)[C@H](C)C1	ZINC001107062795	900388783	/nfs/dbraw/zinc/38/87/83/900388783.db2.gz	UEQUKBSOLGTMIJ-MGPQQGTHSA-N	1	0	366.487	1.357	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(C)(C)CC)[C@H](C)C1	ZINC001107062849	900390647	/nfs/dbraw/zinc/39/06/47/900390647.db2.gz	VQKPRDRMMVNPCI-IXDOHACOSA-N	1	0	367.534	1.957	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cnc(OC)nc2C)[C@H](C)C1	ZINC001107062961	900392475	/nfs/dbraw/zinc/39/24/75/900392475.db2.gz	XQDPFQFAYCFNRJ-FRFSOERESA-N	1	0	362.474	1.569	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CCCc2nc(C)no2)[C@H](C)C1	ZINC001107063104	900448067	/nfs/dbraw/zinc/44/80/67/900448067.db2.gz	BREBOSCESXLJFJ-IIAWOOMASA-N	1	0	350.463	1.586	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nc(CC3CC3)no2)[C@H](C)C1	ZINC001107063734	900451095	/nfs/dbraw/zinc/45/10/95/900451095.db2.gz	YSYBLOKRJFJDMW-IIAWOOMASA-N	1	0	362.474	1.797	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+][C@@H]2CCN(C3CCC3)C2=O)[C@H](C)C1	ZINC001107065481	900454993	/nfs/dbraw/zinc/45/49/93/900454993.db2.gz	PIKGKYOLXIOZPA-JFIYKMOQSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CCCO[C@@H]2CCOC2)[C@H](C)C1	ZINC001107065580	900455850	/nfs/dbraw/zinc/45/58/50/900455850.db2.gz	TWXQXUNZUHBLJQ-KZNAEPCWSA-N	1	0	354.491	1.459	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2C(=O)Nc3ccccc32)C[C@H]1C	ZINC001107071999	900501912	/nfs/dbraw/zinc/50/19/12/900501912.db2.gz	ADVVRPVSXMSUHW-NUJGCVRESA-N	1	0	369.465	1.446	20	30		FDEDRO
CCC(C)(C)NC(=O)CO[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1	ZINC000072921432	900564148	/nfs/dbraw/zinc/56/41/48/900564148.db2.gz	OGHYWTVRSRLDTQ-UHFFFAOYSA-N	1	0	362.474	1.589	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](CCC(C)C)NC(C)=O)C[C@H]1C	ZINC001107099554	900968164	/nfs/dbraw/zinc/96/81/64/900968164.db2.gz	HZWXJKHWRVZOMK-QRQLOZEOSA-N	1	0	365.518	1.261	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC([C@H](C)NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nc1	ZINC001006184904	901015463	/nfs/dbraw/zinc/01/54/63/901015463.db2.gz	QAEZDRMTIZBVQH-UCLAIMLFSA-N	1	0	368.481	1.370	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C)n(C(C)C)n2)C[C@H]1C	ZINC001107100534	901034715	/nfs/dbraw/zinc/03/47/15/901034715.db2.gz	ZXXIBMAQBNKQGP-GDBMZVCRSA-N	1	0	361.490	1.372	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(c3ncccc3C#N)CCO2)CC[N@@H+]1C	ZINC001063671331	901093700	/nfs/dbraw/zinc/09/37/00/901093700.db2.gz	UDHQFCGMVQFIDE-IXDOHACOSA-N	1	0	357.458	1.005	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1=O	ZINC000348622173	901334247	/nfs/dbraw/zinc/33/42/47/901334247.db2.gz	VIOYTCZPLVSBHG-QZTJIDSGSA-N	1	0	373.453	1.401	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NC(=O)CCc2nccn2C)CCC1	ZINC001064583816	901432323	/nfs/dbraw/zinc/43/23/23/901432323.db2.gz	OWXGJSVCSCBJPN-CABCVRRESA-N	1	0	360.458	1.099	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NC(=O)CCC[NH+]2CCCC2)CCC1	ZINC001064584282	901435317	/nfs/dbraw/zinc/43/53/17/901435317.db2.gz	JJGDILKNMULPCV-SJORKVTESA-N	1	0	363.502	1.609	20	30		FDEDRO
C[C@H](C#N)C(=O)NC1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CCC1	ZINC001064649338	901516089	/nfs/dbraw/zinc/51/60/89/901516089.db2.gz	OWGXLVQAIXRUTI-NXHRZFHOSA-N	1	0	368.481	1.647	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@]3(CCN(c4ncccc4C#N)C3)C2)CC[N@@H+]1C	ZINC001064649844	901518110	/nfs/dbraw/zinc/51/81/10/901518110.db2.gz	JLGQDXOJHOYOJN-MDYRTPRTSA-N	1	0	353.470	1.722	20	30		FDEDRO
C[C@@H](NC(=O)N1CCN(c2cc(C#N)ccn2)CC1)C1=CC[N@H+](C)CC1	ZINC000272923327	901766843	/nfs/dbraw/zinc/76/68/43/901766843.db2.gz	KKTVNCQALFFMIA-OAHLLOKOSA-N	1	0	354.458	1.435	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C/C=C\c2ccc(C)cc2)C[C@H]1C	ZINC001107114413	901786931	/nfs/dbraw/zinc/78/69/31/901786931.db2.gz	RGWXITJTQMWYDV-WYTZPYIFSA-N	1	0	367.493	1.832	20	30		FDEDRO
C#CCCCCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001065063597	901822928	/nfs/dbraw/zinc/82/29/28/901822928.db2.gz	IQIYGMFFCYMFHW-OKZBNKHCSA-N	1	0	363.502	1.254	20	30		FDEDRO
C[N@H+](CC(=O)N1CC[C@H]2CN(c3ccnc(C#N)n3)C[C@H]21)CC(C)(C)C	ZINC001090356487	901830276	/nfs/dbraw/zinc/83/02/76/901830276.db2.gz	YRKDSESOXIINOK-LSDHHAIUSA-N	1	0	356.474	1.363	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@H](OC)C1	ZINC000945740075	901927487	/nfs/dbraw/zinc/92/74/87/901927487.db2.gz	ABGITHQZDFLDAA-GVDBMIGSSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2COCCO2)C1	ZINC001079127077	901927958	/nfs/dbraw/zinc/92/79/58/901927958.db2.gz	IVVUUXRJHIRRCR-QRVBRYPASA-N	1	0	360.454	1.052	20	30		FDEDRO
C=CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C23CC[NH+](CC2)C3)C1	ZINC001079146664	901967225	/nfs/dbraw/zinc/96/72/25/901967225.db2.gz	ZVPKCEKEQCBUPE-RTBURBONSA-N	1	0	355.482	1.342	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+]Cc2cn(C)nn2)C1	ZINC001079149880	901980518	/nfs/dbraw/zinc/98/05/18/901980518.db2.gz	QHWHABBEXMNODG-DOPJRALCSA-N	1	0	370.432	1.588	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2coc(CC)n2)C1	ZINC001079133390	901991534	/nfs/dbraw/zinc/99/15/34/901991534.db2.gz	DXRGVBFBMQQZQG-RTBURBONSA-N	1	0	367.449	1.948	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ncn(C)n2)C1	ZINC001079134817	901999105	/nfs/dbraw/zinc/99/91/05/901999105.db2.gz	TUPPZXZMHUVFHW-QZTJIDSGSA-N	1	0	369.469	1.469	20	30		FDEDRO
C=CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[NH+]3CCC2CC3)C1	ZINC001079134925	902000341	/nfs/dbraw/zinc/00/03/41/902000341.db2.gz	ZSDDNOCTVWXIJW-PWRODBHTSA-N	1	0	369.509	1.588	20	30		FDEDRO
C=CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCCC[N@H+]2C)C1	ZINC001079138230	902021005	/nfs/dbraw/zinc/02/10/05/902021005.db2.gz	URVFDMSGUWMLHR-VAMGGRTRSA-N	1	0	357.498	1.731	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[NH+](CCCCCNC(=O)[C@H]2CC[C@@H](C)O2)CC1	ZINC001079166856	902038417	/nfs/dbraw/zinc/03/84/17/902038417.db2.gz	DOJKXQNBLYTCBR-BRWVUGGUSA-N	1	0	364.490	1.144	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@H]1c1cccc(F)c1	ZINC001079179364	902066048	/nfs/dbraw/zinc/06/60/48/902066048.db2.gz	WGMJIHBFESDFRB-RYQLBKOJSA-N	1	0	359.445	1.812	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N[C@H](CC(=O)OC)c1ccc(OC)c(OC)c1	ZINC000764013918	902067320	/nfs/dbraw/zinc/06/73/20/902067320.db2.gz	FDXXQEPGHFTNRR-CQSZACIVSA-N	1	0	350.415	1.542	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2coc(C(N)=O)c2)CC[C@H]1c1ccc(F)cc1	ZINC001079155544	902071130	/nfs/dbraw/zinc/07/11/30/902071130.db2.gz	FTTBLFZRRSKWCG-DLBZAZTESA-N	1	0	369.396	1.739	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCNC2=O)CC[C@H]1c1ccc(F)cc1	ZINC001079156819	902074562	/nfs/dbraw/zinc/07/45/62/902074562.db2.gz	JTMRDWOICCTOOZ-RCCFBDPRSA-N	1	0	359.445	1.812	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)CC[C@H]1c1ccc(F)cc1	ZINC001079156972	902076475	/nfs/dbraw/zinc/07/64/75/902076475.db2.gz	RVFNCMNPFPVLBC-JKSUJKDBSA-N	1	0	356.401	1.486	20	30		FDEDRO
C#CC[NH+]1CCC(N2C(=O)N[C@H]3CN(C(=O)[C@@H]4C[C@H]4CC)CC[C@@H]32)CC1	ZINC001079165333	902093125	/nfs/dbraw/zinc/09/31/25/902093125.db2.gz	ORAGPDWUQPOZLX-BGTYHANMSA-N	1	0	358.486	1.125	20	30		FDEDRO
C=CC[NH+]1CCC(N2C(=O)N[C@@H]3CN(C(=O)[C@@H]4C[C@H]4CC)CC[C@@H]32)CC1	ZINC001079165450	902094429	/nfs/dbraw/zinc/09/44/29/902094429.db2.gz	TZYRIGDNQYDOFV-DDBAPUKQSA-N	1	0	360.502	1.678	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C)C2)C[C@H]1c1cccc(F)c1	ZINC001079202037	902103057	/nfs/dbraw/zinc/10/30/57/902103057.db2.gz	OKPHXUZKECICRH-ZYSHUDEJSA-N	1	0	371.456	1.601	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@H]1c1cccc(F)c1	ZINC001079196556	902160837	/nfs/dbraw/zinc/16/08/37/902160837.db2.gz	UZMIXYBXBPYMSJ-ZWKOTPCHSA-N	1	0	358.417	1.708	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)CCc3nnc[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079233095	902168522	/nfs/dbraw/zinc/16/85/22/902168522.db2.gz	IZDWECJKMIBQDJ-JKSUJKDBSA-N	1	0	359.474	1.253	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCNC(=O)C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079235947	902176157	/nfs/dbraw/zinc/17/61/57/902176157.db2.gz	ZGTGAFOXZKWOFF-IXDOHACOSA-N	1	0	361.486	1.028	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)Cc3cccnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079237066	902179267	/nfs/dbraw/zinc/17/92/67/902179267.db2.gz	LCWSOQNTEBLMPW-RBUKOAKNSA-N	1	0	353.466	1.587	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3coc(CC)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079238266	902182262	/nfs/dbraw/zinc/18/22/62/902182262.db2.gz	QCBJROCMOKMOQL-DOTOQJQBSA-N	1	0	357.454	1.813	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3cnnc(C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079239151	902183771	/nfs/dbraw/zinc/18/37/71/902183771.db2.gz	FSTHCEXCJGMQIY-ZWKOTPCHSA-N	1	0	356.470	1.914	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)CCc3ncc[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079239408	902185707	/nfs/dbraw/zinc/18/57/07/902185707.db2.gz	RMWNHVBOYADLPW-DLBZAZTESA-N	1	0	356.470	1.305	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CN(C(=O)c3cc[n+]([O-])cc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079221027	902220698	/nfs/dbraw/zinc/22/06/98/902220698.db2.gz	IVYFCSWXFBPAFT-RBUKOAKNSA-N	1	0	371.481	1.839	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC2(CC[NH+](Cc3ccccn3)CC2)[C@H]2COC[C@H]21	ZINC001079228467	902244197	/nfs/dbraw/zinc/24/41/97/902244197.db2.gz	NNGWKNQJFOXXEY-RYQLBKOJSA-N	1	0	354.454	1.681	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3nccnc3N)[C@@H]3COC[C@@H]32)CC1	ZINC001079229695	902247000	/nfs/dbraw/zinc/24/70/00/902247000.db2.gz	LWPHEMIYCJHZLM-LSDHHAIUSA-N	1	0	357.458	1.188	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cnc4n3CCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079245763	902255386	/nfs/dbraw/zinc/25/53/86/902255386.db2.gz	GAEOIULKSXJZES-FUHWJXTLSA-N	1	0	368.481	1.406	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cnc4n3CCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079246102	902257375	/nfs/dbraw/zinc/25/73/75/902257375.db2.gz	RCZGSDJTGVCEDN-DOTOQJQBSA-N	1	0	356.470	1.568	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3cnc[nH]c3=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079247102	902259702	/nfs/dbraw/zinc/25/97/02/902259702.db2.gz	LUMBLSYYNUKQSU-JKSUJKDBSA-N	1	0	358.442	1.311	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cn(C)nc3CC)[C@@H]3COC[C@@H]32)CC1	ZINC001079247353	902261514	/nfs/dbraw/zinc/26/15/14/902261514.db2.gz	ZGTVYIYAHIVARL-PKOBYXMFSA-N	1	0	370.497	1.559	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc(C)nnc3CC)[C@@H]3COC[C@@H]32)CC1	ZINC001079248087	902262519	/nfs/dbraw/zinc/26/25/19/902262519.db2.gz	HIUSUFOVOAZIFD-PKOBYXMFSA-N	1	0	368.481	1.534	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cnn(CCF)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079248280	902264510	/nfs/dbraw/zinc/26/45/10/902264510.db2.gz	PVSLDRMNBYZJAQ-DLBZAZTESA-N	1	0	362.449	1.592	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3ccc(=O)n(C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079249952	902266723	/nfs/dbraw/zinc/26/67/23/902266723.db2.gz	DHBQLAMFUXVPGM-DLBZAZTESA-N	1	0	357.454	1.124	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3ccnc(OC)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079251279	902271847	/nfs/dbraw/zinc/27/18/47/902271847.db2.gz	ONNJREXKZHGDGC-DOTOQJQBSA-N	1	0	370.453	1.062	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)[C@@H]3COC[C@@H]32)CC1	ZINC001079252723	902274874	/nfs/dbraw/zinc/27/48/74/902274874.db2.gz	PRVWUDMGTSFXMZ-WKWVNEEDSA-N	1	0	372.509	1.764	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)Cc3ccc(C)nc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079273606	902276100	/nfs/dbraw/zinc/27/61/00/902276100.db2.gz	GGJMBJWIOROZEH-RBUKOAKNSA-N	1	0	353.466	1.505	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc(C4CC4)on3)[C@@H]3COC[C@@H]32)CC1	ZINC001079253763	902277109	/nfs/dbraw/zinc/27/71/09/902277109.db2.gz	FIDHCUBHCLLQNT-DOTOQJQBSA-N	1	0	355.438	1.738	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3occ4c3CCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079254206	902278119	/nfs/dbraw/zinc/27/81/19/902278119.db2.gz	RBEKROLHQTYJPA-ZWKOTPCHSA-N	1	0	354.450	1.955	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N2CC3(CCN(CC#N)CC3)[C@H]3COC[C@H]32)CC[N@@H+]1C	ZINC001079257943	902289356	/nfs/dbraw/zinc/28/93/56/902289356.db2.gz	FKEXNJPOWCLNRK-XLAORIBOSA-N	1	0	360.502	1.180	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC3(CC[NH+](CCC)CC3)[C@H]3COC[C@H]32)nn1	ZINC001079265367	902310572	/nfs/dbraw/zinc/31/05/72/902310572.db2.gz	GBQKQEFCXPBYJD-DOTOQJQBSA-N	1	0	359.474	1.427	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)CCc3ncccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079266749	902315643	/nfs/dbraw/zinc/31/56/43/902315643.db2.gz	HBRLVXFPTOKSKA-DLBZAZTESA-N	1	0	356.470	1.535	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3nc(C)oc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079268070	902319948	/nfs/dbraw/zinc/31/99/48/902319948.db2.gz	LBWHFIPAZAFCLP-DLBZAZTESA-N	1	0	357.454	1.868	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)Cc3nonc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079268311	902321274	/nfs/dbraw/zinc/32/12/74/902321274.db2.gz	XAYMXFDEGTTZBZ-DOTOQJQBSA-N	1	0	360.458	1.436	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3c[nH]nc3C3CC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079268190	902321361	/nfs/dbraw/zinc/32/13/61/902321361.db2.gz	SASYUWCSFICLHJ-ZWKOTPCHSA-N	1	0	368.481	1.863	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)CCc3c(C)n[nH]c3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079272161	902335169	/nfs/dbraw/zinc/33/51/69/902335169.db2.gz	FBBYPJIEWCEGBC-RBUKOAKNSA-N	1	0	370.497	1.532	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)Cc3c(C)n[nH]c3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079272826	902337225	/nfs/dbraw/zinc/33/72/25/902337225.db2.gz	ZGMQDTXITFIUMJ-ZWKOTPCHSA-N	1	0	358.486	1.694	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2COCCN2CC)C[C@H]1c1ccccc1F	ZINC001079300426	902346506	/nfs/dbraw/zinc/34/65/06/902346506.db2.gz	HQZIHOAJMSXQJP-QXAKKESOSA-N	1	0	361.461	1.616	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3nn(CC)nc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079275181	902358192	/nfs/dbraw/zinc/35/81/92/902358192.db2.gz	HTSCEUUWJYNRHO-DLBZAZTESA-N	1	0	371.485	1.183	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCn2ccccc2=O)C[C@H]1c1ccccc1F	ZINC001079296746	902401415	/nfs/dbraw/zinc/40/14/15/902401415.db2.gz	PHBXTRWLVWLHJO-PKOBYXMFSA-N	1	0	367.424	1.595	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1c1ccccc1F	ZINC001079298966	902407791	/nfs/dbraw/zinc/40/77/91/902407791.db2.gz	PMGWCXTYDZHTRI-SOLBZPMBSA-N	1	0	359.445	1.812	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@]2(CC)CCNC2=O)C[C@H]1c1ccccc1F	ZINC001079298971	902408025	/nfs/dbraw/zinc/40/80/25/902408025.db2.gz	PRHGDMYNHCLZEA-XAUMDUMWSA-N	1	0	359.445	1.812	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2cnn(C)c2)C[C@H]1c1ccccc1F	ZINC001079317815	902416317	/nfs/dbraw/zinc/41/63/17/902416317.db2.gz	PVZIWZYBFHRHGV-MOXGXCLJSA-N	1	0	368.456	1.955	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc(OC)nc2)C[C@H]1c1ccccc1F	ZINC001079318003	902417387	/nfs/dbraw/zinc/41/73/87/902417387.db2.gz	YEHNKUQYASMFLU-DOTOQJQBSA-N	1	0	354.385	1.455	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@H]1c1ccccc1F	ZINC001079320719	902421713	/nfs/dbraw/zinc/42/17/13/902421713.db2.gz	GWQQAYZKHPVACR-GOEBONIOSA-N	1	0	359.401	1.045	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1c1ccccc1F	ZINC001079321951	902424638	/nfs/dbraw/zinc/42/46/38/902424638.db2.gz	GYHWVFLFGRPXHE-WMLDXEAASA-N	1	0	356.401	1.637	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@@H]1CCCOC1	ZINC001079480596	902623836	/nfs/dbraw/zinc/62/38/36/902623836.db2.gz	ZPUTVWSQNKSENG-SZVBFZGTSA-N	1	0	357.454	1.952	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C(C)(C)C1	ZINC000995923086	902627001	/nfs/dbraw/zinc/62/70/01/902627001.db2.gz	LMFBEPXHWLHZIW-MAZHCROVSA-N	1	0	363.483	1.750	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)c1cn(C)cn1	ZINC001079568996	902805900	/nfs/dbraw/zinc/80/59/00/902805900.db2.gz	SSOHJPXWAQODOT-RHSMWYFYSA-N	1	0	353.426	1.573	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)c1cc(=O)n(C)o1	ZINC001079630567	902912635	/nfs/dbraw/zinc/91/26/35/902912635.db2.gz	BUIITMFMXPHPAI-CZUORRHYSA-N	1	0	370.409	1.131	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(C#N)[nH]2)C3)C1	ZINC000996099064	903079648	/nfs/dbraw/zinc/07/96/48/903079648.db2.gz	VBQOIFFUPZEACI-YVVXQTMVSA-N	1	0	355.442	1.090	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(S(C)(=O)=O)o1)C2	ZINC001112538451	903085749	/nfs/dbraw/zinc/08/57/49/903085749.db2.gz	HWLSVVOSYDAMKW-GUYCJALGSA-N	1	0	352.456	1.701	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1	ZINC000764053807	903224545	/nfs/dbraw/zinc/22/45/45/903224545.db2.gz	PWDBGRKPNULXLM-UHFFFAOYSA-N	1	0	361.471	1.560	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC2(F)F)C3)CC1	ZINC000996264116	903590051	/nfs/dbraw/zinc/59/00/51/903590051.db2.gz	RJHLYNASUICQCI-UGUYLWEFSA-N	1	0	365.424	1.235	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)c2ccccc2CC[NH+](C)C)C1	ZINC000996318586	903628868	/nfs/dbraw/zinc/62/88/68/903628868.db2.gz	HNITZTRSCGPVNS-MOPGFXCFSA-N	1	0	371.481	1.322	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3[nH]c(=O)[nH]c3C)C2)cc1C#N	ZINC001079912807	903663366	/nfs/dbraw/zinc/66/33/66/903663366.db2.gz	CEYLYMPEPPDSCE-IAQYHMDHSA-N	1	0	369.425	1.554	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]([NH2+]CCn2cc(Cl)cn2)C(C)(C)C1	ZINC000996329592	903707746	/nfs/dbraw/zinc/70/77/46/903707746.db2.gz	HLFSWFQNZVZMOJ-PMPSAXMXSA-N	1	0	366.893	1.954	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(CC)C(=O)[C@@H](C2CC2)[NH+](C)C)C1	ZINC001079947304	903742269	/nfs/dbraw/zinc/74/22/69/903742269.db2.gz	VEEXHKVQADIWFY-KSZLIROESA-N	1	0	363.502	1.367	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)CC1(C)C	ZINC000996409835	903875380	/nfs/dbraw/zinc/87/53/80/903875380.db2.gz	YDZGBBJZAHEXFK-OWCLPIDISA-N	1	0	366.893	1.867	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]Cc2ncnn2CCF)CC1	ZINC000996602147	904323458	/nfs/dbraw/zinc/32/34/58/904323458.db2.gz	YCUNAVLVMZZIJP-CVEARBPZSA-N	1	0	365.453	1.309	20	30		FDEDRO
CCCSCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107303092	904338996	/nfs/dbraw/zinc/33/89/96/904338996.db2.gz	JFUVTVMEIHUOIS-RHSMWYFYSA-N	1	0	352.504	1.130	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CC[C@H]3CCCO3)CCC[C@@H]12	ZINC001107292516	904370208	/nfs/dbraw/zinc/37/02/08/904370208.db2.gz	IPXFQJOOENNNIX-MBOZVWFJSA-N	1	0	361.486	1.056	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCCc1nc(C)no1)CC2	ZINC001107330902	904462835	/nfs/dbraw/zinc/46/28/35/904462835.db2.gz	SHABDMJXABLXMV-VQIMIIECSA-N	1	0	362.474	1.874	20	30		FDEDRO
CS[C@@H](C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107370420	904633362	/nfs/dbraw/zinc/63/33/62/904633362.db2.gz	QGGNUJHVVIUMIX-JJRVBVJISA-N	1	0	352.504	1.129	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCc1ccnn1C)CC2	ZINC001107381136	904650286	/nfs/dbraw/zinc/65/02/86/904650286.db2.gz	FQJBOPHYWZBZIU-MISYRCLQSA-N	1	0	360.502	1.651	20	30		FDEDRO
CC(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCN1C(=O)CCC1=O)CC2	ZINC001107397094	904717612	/nfs/dbraw/zinc/71/76/12/904717612.db2.gz	SCTFQJOSKSBLCR-OXQOHEQNSA-N	1	0	359.470	1.156	20	30		FDEDRO
COc1ccc(CC[N@@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@H](OC)C2)cc1	ZINC001081507183	904718240	/nfs/dbraw/zinc/71/82/40/904718240.db2.gz	INCREEFGYPDNRL-RTBURBONSA-N	1	0	368.437	1.567	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC001081563359	904769994	/nfs/dbraw/zinc/76/99/94/904769994.db2.gz	KUJYCCGYABMYKX-QZTJIDSGSA-N	1	0	360.458	1.522	20	30		FDEDRO
CO[C@@H]1C[N@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC001081563318	904770202	/nfs/dbraw/zinc/77/02/02/904770202.db2.gz	IZMXAKZTWRPWMO-NILFDRSVSA-N	1	0	352.385	1.751	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)NC(=O)COC)CCC[C@@H]12	ZINC001107417559	904788450	/nfs/dbraw/zinc/78/84/50/904788450.db2.gz	KNPAOLHEJQKNCS-FRQCXROJSA-N	1	0	351.491	1.465	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C(=O)C(C)C)CCC[C@@H]12	ZINC001107425690	904838664	/nfs/dbraw/zinc/83/86/64/904838664.db2.gz	KEKGNPYVUYDPPA-YLJYHZDGSA-N	1	0	363.502	1.111	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2)OCC	ZINC001107425871	904841867	/nfs/dbraw/zinc/84/18/67/904841867.db2.gz	UEPWCNKTOMTZTB-QWFCFKBJSA-N	1	0	368.518	1.727	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccnc4ccnn43)CCC[C@@H]12	ZINC001107435985	904897359	/nfs/dbraw/zinc/89/73/59/904897359.db2.gz	IRIRERAGWMAIKQ-YLJYHZDGSA-N	1	0	369.469	1.906	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CCC(=O)NC3)CCC[C@@H]12	ZINC001107436415	904901959	/nfs/dbraw/zinc/90/19/59/904901959.db2.gz	YWDZGOGLTRYNFB-MBOZVWFJSA-N	1	0	363.502	1.466	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4n3CCC4)CCC[C@@H]12	ZINC001107439881	904923317	/nfs/dbraw/zinc/92/33/17/904923317.db2.gz	YEIHYMZBBZQDHT-OXQOHEQNSA-N	1	0	371.485	1.106	20	30		FDEDRO
CCc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)o1	ZINC001107453723	904996762	/nfs/dbraw/zinc/99/67/62/904996762.db2.gz	WDIXBEOIWKQZBR-VQIMIIECSA-N	1	0	358.442	1.456	20	30		FDEDRO
Cc1nn[nH]c1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1C	ZINC001080246623	905003480	/nfs/dbraw/zinc/00/34/80/905003480.db2.gz	DCULIORYOVNKAD-MLGOLLRUSA-N	1	0	354.414	1.266	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccncc3CC)CCC[C@@H]12	ZINC001107457534	905023742	/nfs/dbraw/zinc/02/37/42/905023742.db2.gz	ARQKJZAXUMVVKL-WIYYLYMNSA-N	1	0	370.497	1.921	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cc2ccc3c(c2)NC(=O)C3)[C@H](OC)C1	ZINC001081806886	905125222	/nfs/dbraw/zinc/12/52/22/905125222.db2.gz	JDNBPFNCPFUDAE-QZTJIDSGSA-N	1	0	357.454	1.505	20	30		FDEDRO
Cc1cnc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)c(C)c1	ZINC001107478088	905148942	/nfs/dbraw/zinc/14/89/42/905148942.db2.gz	FRTODAWDLMZRKK-OXQOHEQNSA-N	1	0	369.469	1.313	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2OC)cc1	ZINC001081864728	905167279	/nfs/dbraw/zinc/16/72/79/905167279.db2.gz	AVRZRCJUSHFNCJ-RTBURBONSA-N	1	0	370.453	1.577	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](F)CC)CCC[C@@H]12	ZINC001107507524	905292951	/nfs/dbraw/zinc/29/29/51/905292951.db2.gz	CPFCGYAPEHVJSL-PMUMKWKESA-N	1	0	368.453	1.107	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CCn3nc(C)cc3C)C[C@H]2C)c1	ZINC001080410097	905375917	/nfs/dbraw/zinc/37/59/17/905375917.db2.gz	UROOCAGBKDEJIG-AUUYWEPGSA-N	1	0	351.454	1.627	20	30		FDEDRO
CCCCC1(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)CC1	ZINC001107536691	905421787	/nfs/dbraw/zinc/42/17/87/905421787.db2.gz	WUVBEOWBAMVRFW-OXQOHEQNSA-N	1	0	360.502	1.957	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC(C)(C)C3)CCC[C@@H]12	ZINC001107537067	905430812	/nfs/dbraw/zinc/43/08/12/905430812.db2.gz	PKIPPRJPPKGHPH-CBGDNZLLSA-N	1	0	359.514	1.923	20	30		FDEDRO
C#CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)CC1	ZINC000996785413	905464975	/nfs/dbraw/zinc/46/49/75/905464975.db2.gz	IUEUQQNELGOHET-BAMZZKKUSA-N	1	0	357.498	1.088	20	30		FDEDRO
C#CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3C[C@H]3c3ccnn3C)CC2)CC1	ZINC000996782186	905490826	/nfs/dbraw/zinc/49/08/26/905490826.db2.gz	JPQBUBLGYGTXFJ-CSODTCANSA-N	1	0	369.513	1.202	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)n3ccnc3)CCC[C@@H]12	ZINC001107561451	905637762	/nfs/dbraw/zinc/63/77/62/905637762.db2.gz	KHDBACFFCYYSOO-QWFCFKBJSA-N	1	0	358.486	1.845	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2C2CCCC2)[C@H](OC)C1	ZINC001082057958	905666653	/nfs/dbraw/zinc/66/66/53/905666653.db2.gz	LTWBPJBBFBJNFX-CEXWTWQISA-N	1	0	365.518	1.411	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[N@@H+]2CCC[C@@H]2C)C1	ZINC001080558252	905682010	/nfs/dbraw/zinc/68/20/10/905682010.db2.gz	PKWHYOGAUJUEGX-JQHSSLGASA-N	1	0	363.502	1.511	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001080593054	905715896	/nfs/dbraw/zinc/71/58/96/905715896.db2.gz	GUFIOIDDYOLFIS-NOCIGQNYSA-N	1	0	356.470	1.614	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3N(C)C)C[C@H]2C)nn1	ZINC001080579175	905734444	/nfs/dbraw/zinc/73/44/44/905734444.db2.gz	SFGDKQPNJAERKZ-NVXWUHKLSA-N	1	0	368.485	1.780	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@@H](OC)C3CCC3)C[C@H]2C)nn1	ZINC001080589770	905757674	/nfs/dbraw/zinc/75/76/74/905757674.db2.gz	KOTREGFQTZWCOJ-QGPMSJSTSA-N	1	0	361.490	1.719	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)NC(C)=O)CCC[C@@H]12	ZINC001107579166	905782820	/nfs/dbraw/zinc/78/28/20/905782820.db2.gz	WATUQOBCHDUASB-VQIMIIECSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)COC)CCC[C@@H]12	ZINC001107594949	905884831	/nfs/dbraw/zinc/88/48/31/905884831.db2.gz	XPQMGUIVTPQPHU-GPMSIDNRSA-N	1	0	351.491	1.322	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3cnccn3)CCC[C@@H]12	ZINC001107599244	905903786	/nfs/dbraw/zinc/90/37/86/905903786.db2.gz	FPPRJVHZBIUSJB-YLJYHZDGSA-N	1	0	371.485	1.072	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnn(CCCOC)c3)CCC[C@@H]12	ZINC001107600755	905912328	/nfs/dbraw/zinc/91/23/28/905912328.db2.gz	DMHLNQFENITFFT-UYAOXDASSA-N	1	0	358.486	1.917	20	30		FDEDRO
CC(C)n1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)nn1	ZINC001080685194	905958929	/nfs/dbraw/zinc/95/89/29/905958929.db2.gz	ZEIKTDSIDZVODO-RHSMWYFYSA-N	1	0	352.442	1.981	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc(CN3CCCC3)on2)[C@H](OC)C1	ZINC001082139170	905960169	/nfs/dbraw/zinc/96/01/69/905960169.db2.gz	GQEFEANAWQTIKR-QZTJIDSGSA-N	1	0	362.474	1.666	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)Cn3nc(C)n(C)c3=O)CCC[C@@H]12	ZINC001107622410	906021968	/nfs/dbraw/zinc/02/19/68/906021968.db2.gz	GYYIURSVVUNVQM-VQIMIIECSA-N	1	0	361.490	1.217	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)NC(=O)NCCC)CCC[C@@H]12	ZINC001107644620	906168309	/nfs/dbraw/zinc/16/83/09/906168309.db2.gz	BIJVREJLJKKIKI-OXQOHEQNSA-N	1	0	362.518	1.858	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)NC(=O)NC)CCC[C@@H]12	ZINC001107644734	906168349	/nfs/dbraw/zinc/16/83/49/906168349.db2.gz	FYFJESXDLMEHNV-CXAGYDPISA-N	1	0	356.898	1.807	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)COc3ccc(C(N)=O)cc3)CCC[C@@H]12	ZINC001107638546	906182347	/nfs/dbraw/zinc/18/23/47/906182347.db2.gz	FRFOAJQOVZBJSS-YLJYHZDGSA-N	1	0	355.438	1.158	20	30		FDEDRO
CCOCCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC#CCOC)CC2	ZINC001107641675	906208210	/nfs/dbraw/zinc/20/82/10/906208210.db2.gz	FKMMKWLYYJPDBQ-NLWGTHIKSA-N	1	0	366.502	1.439	20	30		FDEDRO
C=CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCc1cnn(C)c1)CC2	ZINC001107650629	906223465	/nfs/dbraw/zinc/22/34/65/906223465.db2.gz	ILBOYPNYIBZWFE-YVWKXTFCSA-N	1	0	360.502	1.915	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1NC(=O)CC1CC[NH+](C)CC1	ZINC001082202233	906240980	/nfs/dbraw/zinc/24/09/80/906240980.db2.gz	NHBVIYFKFGVQBP-WOJBJXKFSA-N	1	0	370.497	1.606	20	30		FDEDRO
CO[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1	ZINC001082202372	906243025	/nfs/dbraw/zinc/24/30/25/906243025.db2.gz	VLSQEGRPTZOJLN-WOJBJXKFSA-N	1	0	370.497	1.606	20	30		FDEDRO
C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001080781122	906249097	/nfs/dbraw/zinc/24/90/97/906249097.db2.gz	OQTWKHCAVDOOFC-IDHHARJASA-N	1	0	358.461	1.976	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1C	ZINC001080805343	906287168	/nfs/dbraw/zinc/28/71/68/906287168.db2.gz	NDDFCUMAAJJIRA-SOLBZPMBSA-N	1	0	357.454	1.713	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CCCCCS(N)(=O)=O)CCC[C@@H]12	ZINC001107663298	906293243	/nfs/dbraw/zinc/29/32/43/906293243.db2.gz	XAIOSPLYGVCFJG-SJLPKXTDSA-N	1	0	369.531	1.219	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3ccccc3C)C[C@H]2OC)nn1	ZINC001082212960	906296884	/nfs/dbraw/zinc/29/68/84/906296884.db2.gz	HYKYPVDNEPAKAW-SZVBFZGTSA-N	1	0	369.469	1.963	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)N3CCOCC3)CCC[C@@H]12	ZINC001107656502	906298854	/nfs/dbraw/zinc/29/88/54/906298854.db2.gz	UAPSPXYBGFUUFU-NLWGTHIKSA-N	1	0	365.518	1.271	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CC(C)(C)CO3)C[C@H]2OC)cn1	ZINC001082334113	906833136	/nfs/dbraw/zinc/83/31/36/906833136.db2.gz	SPUDVRLGCNKYEE-RCCFBDPRSA-N	1	0	357.454	1.307	20	30		FDEDRO
CCN1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)C1	ZINC001080979359	906847835	/nfs/dbraw/zinc/84/78/35/906847835.db2.gz	MJYCNYCXAQSNQL-LZQZEXGQSA-N	1	0	356.470	1.215	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1cccnc1C(N)=O	ZINC001080982546	906860389	/nfs/dbraw/zinc/86/03/89/906860389.db2.gz	GRUYICSOMUBQNW-CXAGYDPISA-N	1	0	363.421	1.302	20	30		FDEDRO
CON=Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1	ZINC000765353839	906888154	/nfs/dbraw/zinc/88/81/54/906888154.db2.gz	SBCUUTBOUMLVMU-QFBILLFUSA-N	1	0	358.486	1.765	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)C(=O)N2CCCCC2)CC1	ZINC000997022796	906971915	/nfs/dbraw/zinc/97/19/15/906971915.db2.gz	SLWGHHDXEVNDII-JQHSSLGASA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(N)=O)C1	ZINC001081118538	907223742	/nfs/dbraw/zinc/22/37/42/907223742.db2.gz	IYCKUOZHNPTZKR-XDNAFOTISA-N	1	0	357.454	1.037	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1c1ccccc1	ZINC001081141440	907251544	/nfs/dbraw/zinc/25/15/44/907251544.db2.gz	PULTWUUHAGQVII-DLBZAZTESA-N	1	0	368.437	1.109	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(OC)ccnc2OC)C[C@H]1c1ccccc1	ZINC001081145453	907254418	/nfs/dbraw/zinc/25/44/18/907254418.db2.gz	FMHYTNJWCJSMAS-DLBZAZTESA-N	1	0	365.433	1.930	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCS2(=O)=O)C[C@H]1c1ccccc1	ZINC001081125827	907305477	/nfs/dbraw/zinc/30/54/77/907305477.db2.gz	RYKMPQVTHFYGEG-KSZLIROESA-N	1	0	360.479	1.171	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccnc2OCC#C)C[C@H]1c1ccccc1	ZINC001081215654	907324760	/nfs/dbraw/zinc/32/47/60/907324760.db2.gz	POKLJXYGXRFVPS-VQTJNVASSA-N	1	0	359.429	1.925	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2nc3nccc(C)n3n2)C[C@H]1c1ccccc1	ZINC001081219605	907330444	/nfs/dbraw/zinc/33/04/44/907330444.db2.gz	KKRUJKJIKIURNC-DLBZAZTESA-N	1	0	362.437	1.817	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N2CCCC2=O)C[C@H]1c1ccccc1	ZINC001081227067	907343673	/nfs/dbraw/zinc/34/36/73/907343673.db2.gz	OQFMAHXUWANCFU-OTWHNJEPSA-N	1	0	353.466	1.605	20	30		FDEDRO
O=S(=O)(c1ccc(N=NC2CC[N@@H+]3CCC[C@H]23)nc1)N1CCCCC1	ZINC000765569630	907624620	/nfs/dbraw/zinc/62/46/20/907624620.db2.gz	LPXSMVKLWDYFLU-MRXNPFEDSA-N	1	0	363.487	1.892	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082415529	907643824	/nfs/dbraw/zinc/64/38/24/907643824.db2.gz	KNNJDSDCFFGCPL-FZKQIMNGSA-N	1	0	354.385	1.581	20	30		FDEDRO
Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)n(C)n1	ZINC001082440095	907774949	/nfs/dbraw/zinc/77/49/49/907774949.db2.gz	BMBDDANSALQVAB-SJKOYZFVSA-N	1	0	355.417	1.990	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1[NH2+]CC(=O)N1CCC[C@@H](C)C1	ZINC001082464302	907897352	/nfs/dbraw/zinc/89/73/52/907897352.db2.gz	JJACAPBBHBSZNS-CKEIUWERSA-N	1	0	357.458	1.195	20	30		FDEDRO
CO[C@H](C)c1noc(CN[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)n1	ZINC001082464360	907898494	/nfs/dbraw/zinc/89/84/94/907898494.db2.gz	LMVIXWMXZAVXHM-JTNHKYCSSA-N	1	0	358.402	1.227	20	30		FDEDRO
Cc1cc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)[nH]n1	ZINC001082470806	907915013	/nfs/dbraw/zinc/91/50/13/907915013.db2.gz	FBMWKTHPMJUFIL-KZULUSFZSA-N	1	0	355.417	1.908	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082472726	907923393	/nfs/dbraw/zinc/92/33/93/907923393.db2.gz	ZMRFIGAAKSINJJ-IIYDPXPESA-N	1	0	358.417	1.160	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082474480	907929372	/nfs/dbraw/zinc/92/93/72/907929372.db2.gz	OPFRRSMRAZQFRC-RHSMWYFYSA-N	1	0	353.426	1.573	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2COC(=O)C2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082475126	907932337	/nfs/dbraw/zinc/93/23/37/907932337.db2.gz	JFUSTAPKYLASQK-HACGYAERSA-N	1	0	359.401	1.587	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+][C@H]1CCN(C2CCC2)C1=O	ZINC001082480317	907948807	/nfs/dbraw/zinc/94/88/07/907948807.db2.gz	YEUUUAYVQIPPRC-OAUYIBNBSA-N	1	0	355.442	1.090	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+][C@@H]1CCN(C(C)(C)C)C1=O	ZINC001082480261	907949054	/nfs/dbraw/zinc/94/90/54/907949054.db2.gz	SNAKXQSQZRWPEV-DAXOMENPSA-N	1	0	357.458	1.336	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1[NH2+]C[C@@H](O)c1ccc(F)cc1	ZINC001082482088	907958147	/nfs/dbraw/zinc/95/81/47/907958147.db2.gz	MMFMNCYSTFKLJM-NXOUGTEYSA-N	1	0	356.401	1.809	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082488902	907990875	/nfs/dbraw/zinc/99/08/75/907990875.db2.gz	WJZIJJXLZPTFCK-CXAGYDPISA-N	1	0	356.405	1.316	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082488906	907990915	/nfs/dbraw/zinc/99/09/15/907990915.db2.gz	WRLLTWRCULKABG-CXAGYDPISA-N	1	0	356.405	1.316	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082489257	907992021	/nfs/dbraw/zinc/99/20/21/907992021.db2.gz	RHKTWXXTJDHFHO-CXAGYDPISA-N	1	0	356.405	1.316	20	30		FDEDRO
CCn1nncc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1	ZINC001082502522	908098733	/nfs/dbraw/zinc/09/87/33/908098733.db2.gz	XBEKJXILTSJGBT-MLGOLLRUSA-N	1	0	356.405	1.559	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[N@H+](CC3CC(C)(C)C3)C[C@H]2O)cc1	ZINC001077797766	908138707	/nfs/dbraw/zinc/13/87/07/908138707.db2.gz	GZWKORJKWIXJEB-RTBURBONSA-N	1	0	356.466	1.910	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnc(C)cn2)C1=O	ZINC001085123330	921387934	/nfs/dbraw/zinc/38/79/34/921387934.db2.gz	VXLFZVNMQPISRW-OAGGEKHMSA-N	1	0	357.458	1.203	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2snnc2C)C1	ZINC001082519358	908207853	/nfs/dbraw/zinc/20/78/53/908207853.db2.gz	GHIHGCJREKIHJW-NGFQHRJXSA-N	1	0	350.488	1.764	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC)C2)C[C@H]1C	ZINC001082542316	908412997	/nfs/dbraw/zinc/41/29/97/908412997.db2.gz	CTIDIIGMEGAYHP-RAIGVLPGSA-N	1	0	358.280	1.200	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc(C4CC4)n(C)n3)C[C@H]2C)C1=O	ZINC001082545736	908449352	/nfs/dbraw/zinc/44/93/52/908449352.db2.gz	YPXCWTYUPZANKK-FRFSOERESA-N	1	0	371.485	1.135	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1	ZINC001082561730	908630130	/nfs/dbraw/zinc/63/01/30/908630130.db2.gz	NMBLJAJJSYKMMS-IXDOHACOSA-N	1	0	358.486	1.641	20	30		FDEDRO
COC1CC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)C1	ZINC001082580546	908781157	/nfs/dbraw/zinc/78/11/57/908781157.db2.gz	RFZVVKFJQBJUGW-WLHONDITSA-N	1	0	357.454	1.950	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000265611294	908869824	/nfs/dbraw/zinc/86/98/24/908869824.db2.gz	NUCJJKBYVPXEQO-LJQANCHMSA-N	1	0	371.485	1.106	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCN(C)C(=O)C2)C[C@H]1C	ZINC001082599496	908956928	/nfs/dbraw/zinc/95/69/28/908956928.db2.gz	UWRQQKXOFPRMCS-KGYLQXTDSA-N	1	0	358.280	1.200	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCCC2)C1	ZINC001082599842	908959230	/nfs/dbraw/zinc/95/92/30/908959230.db2.gz	NPUFUEMQFLWNQU-SJLPKXTDSA-N	1	0	371.481	1.924	20	30		FDEDRO
CCN1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001082608454	908985185	/nfs/dbraw/zinc/98/51/85/908985185.db2.gz	XUSRVGBUEKCHTM-LZQZEXGQSA-N	1	0	356.470	1.215	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1C	ZINC001082610989	909004300	/nfs/dbraw/zinc/00/43/00/909004300.db2.gz	MAHYMGBWSJZUPE-UKPHBRMFSA-N	1	0	370.453	1.030	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccncc3CC)C[C@H]2C)C1=O	ZINC001082606940	909031561	/nfs/dbraw/zinc/03/15/61/909031561.db2.gz	HLAKLUSNYFPTKK-ZTFGCOKTSA-N	1	0	356.470	1.481	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1OC)OCC	ZINC001212354665	909070345	/nfs/dbraw/zinc/07/03/45/909070345.db2.gz	GAFAOQPTDBWGNM-CEXWTWQISA-N	1	0	368.518	1.990	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2	ZINC000997546820	909116776	/nfs/dbraw/zinc/11/67/76/909116776.db2.gz	VZJVCQOHTUGUJF-IKGGRYGDSA-N	1	0	368.481	1.632	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc3ncnn32)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082622216	909135467	/nfs/dbraw/zinc/13/54/67/909135467.db2.gz	FEBGWHITNBHPRD-IUODEOHRSA-N	1	0	366.450	1.913	20	30		FDEDRO
COc1cnc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)nc1	ZINC001082633968	909201827	/nfs/dbraw/zinc/20/18/27/909201827.db2.gz	ZDDRPMDFIQRZOJ-CXAGYDPISA-N	1	0	351.410	1.607	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)[C@H](OC)C1	ZINC001212365616	909211623	/nfs/dbraw/zinc/21/16/23/909211623.db2.gz	BOLORFLYKZKNRB-ARFHVFGLSA-N	1	0	367.490	1.310	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCCNC(=O)C2CC2)[C@H](OC)C1	ZINC001212365801	909215600	/nfs/dbraw/zinc/21/56/00/909215600.db2.gz	MYJKYCNHCGLZAA-QZTJIDSGSA-N	1	0	365.518	1.855	20	30		FDEDRO
C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)CC1	ZINC000997624012	909317328	/nfs/dbraw/zinc/31/73/28/909317328.db2.gz	KESFLSPYCYOGAG-CGTJXYLNSA-N	1	0	358.486	1.738	20	30		FDEDRO
COc1nc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(C#N)ccc3F)C2)co1	ZINC001082667588	909470124	/nfs/dbraw/zinc/47/01/24/909470124.db2.gz	KFBSPRZTYJHOQM-IAQYHMDHSA-N	1	0	358.373	1.944	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3c(C)nnn3CC)C2)cc1	ZINC001082678266	909560198	/nfs/dbraw/zinc/56/01/98/909560198.db2.gz	JUMNLHZSTCJJHX-RDTXWAMCSA-N	1	0	351.454	1.838	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H]3CCN(C4CCC4)C3=O)C2)cc1	ZINC001082678815	909565098	/nfs/dbraw/zinc/56/50/98/909565098.db2.gz	UZOQMGLZZOPLRI-CDHQVMDDSA-N	1	0	365.477	1.871	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3c(C)cnn3C)C[C@H]2C)cc1C#N	ZINC001082693186	909635733	/nfs/dbraw/zinc/63/57/33/909635733.db2.gz	KQIFMDSWJNFRNF-RHSMWYFYSA-N	1	0	367.453	1.859	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082697816	909657161	/nfs/dbraw/zinc/65/71/61/909657161.db2.gz	ZMYZGSFGBZEACC-DWQUBVKVSA-N	1	0	360.483	1.473	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082698932	909666471	/nfs/dbraw/zinc/66/64/71/909666471.db2.gz	RMTYQTBGDFFIDO-RDTXWAMCSA-N	1	0	354.410	1.756	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[NH2+][C@H](C)c2nncn2C)CC1	ZINC000997780656	909684288	/nfs/dbraw/zinc/68/42/88/909684288.db2.gz	FJGQTBZIIRSTAU-OIISXLGYSA-N	1	0	361.490	1.686	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082710983	909768191	/nfs/dbraw/zinc/76/81/91/909768191.db2.gz	BLMLKUXHKRBMRJ-BDJLRTHQSA-N	1	0	355.373	1.031	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082711154	909770051	/nfs/dbraw/zinc/77/00/51/909770051.db2.gz	QFPLYWFYVQYCBI-BDJLRTHQSA-N	1	0	355.373	1.031	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082725313	909843789	/nfs/dbraw/zinc/84/37/89/909843789.db2.gz	XDGATCSFGLIKHA-FXHACXQTSA-N	1	0	358.417	1.303	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H]3CCN(C(C)C)C3=O)C2)c1	ZINC001082730015	909863384	/nfs/dbraw/zinc/86/33/84/909863384.db2.gz	VPRJBWBFGQOJOV-ZTFGCOKTSA-N	1	0	354.454	1.122	20	30		FDEDRO
C#CCC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@@H]1C[C@@H]3C=C[C@H]1CC3)CC2	ZINC001128006952	909901927	/nfs/dbraw/zinc/90/19/27/909901927.db2.gz	YPPDIJJZPSECRH-XMTFNYHQSA-N	1	0	367.497	1.814	20	30		FDEDRO
Cc1ccn(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3F)C2)n1	ZINC001082749287	909977397	/nfs/dbraw/zinc/97/73/97/909977397.db2.gz	QKFZCNNKLNXCHD-FZKQIMNGSA-N	1	0	355.417	1.839	20	30		FDEDRO
C[C@@H]1CN(C(=O)COC2CCOCC2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082778080	910119659	/nfs/dbraw/zinc/11/96/59/910119659.db2.gz	QNMOGJNFAVPNRZ-DNVCBOLYSA-N	1	0	357.454	1.690	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1	ZINC001082795336	910180387	/nfs/dbraw/zinc/18/03/87/910180387.db2.gz	SJHJJGGPDJFNMR-QEEHTWDDSA-N	1	0	373.497	1.693	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCn3nc(C)cc3C)C2)nn1	ZINC001082791717	910195126	/nfs/dbraw/zinc/19/51/26/910195126.db2.gz	YIOWMCJQPKYMKX-CZUORRHYSA-N	1	0	357.462	1.028	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2nc(C)c[nH]2)C[C@H]1C	ZINC001082793970	910204415	/nfs/dbraw/zinc/20/44/15/910204415.db2.gz	NMVJJPYZDMDXSU-MLGOLLRUSA-N	1	0	353.426	1.849	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncc(Cl)n2C)C1	ZINC001082798699	910215821	/nfs/dbraw/zinc/21/58/21/910215821.db2.gz	HWVZROJUZJZARF-OEUWWYETSA-N	1	0	366.893	1.991	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2nc3ncccn3n2)C[C@H]1C	ZINC001082816090	910289364	/nfs/dbraw/zinc/28/93/64/910289364.db2.gz	ZFXOYUCKSRRQIB-MWLCHTKSSA-N	1	0	365.235	1.083	20	30		FDEDRO
Cc1cc(=O)c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)c[nH]1	ZINC001082838484	910375213	/nfs/dbraw/zinc/37/52/13/910375213.db2.gz	WXFVSSHVMGWSIT-FZKQIMNGSA-N	1	0	350.422	1.805	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CCC[N@H+](CC(=O)NC2CC2)CC1	ZINC000998131519	910431443	/nfs/dbraw/zinc/43/14/43/910431443.db2.gz	SZRUIDFAHOCMRZ-KSZLIROESA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@@H]2CCOC2)C1	ZINC001082869125	910511021	/nfs/dbraw/zinc/51/10/21/910511021.db2.gz	REIVPVKEHLEBMZ-JFIYKMOQSA-N	1	0	357.454	1.570	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@H]3CCNC(=O)CC3)C2)nc1	ZINC001082870234	910517721	/nfs/dbraw/zinc/51/77/21/910517721.db2.gz	JALXVQWOCZYJML-QGPMSJSTSA-N	1	0	354.454	1.029	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccnn2C)C1	ZINC001082868441	910562022	/nfs/dbraw/zinc/56/20/22/910562022.db2.gz	AEGGNBSPXLMATF-RHSMWYFYSA-N	1	0	353.426	1.077	20	30		FDEDRO
C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CC[C@H]([NH+]3CCCC3)C2)C1=O	ZINC000727170132	910571099	/nfs/dbraw/zinc/57/10/99/910571099.db2.gz	SAKPENKVATZZEF-FXAWDEMLSA-N	1	0	367.453	1.453	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCCO[C@H]3CCOC3)C[C@H]2OC)CCC1	ZINC001212393400	910664865	/nfs/dbraw/zinc/66/48/65/910664865.db2.gz	MRTVZXJBFKQLIH-RCCFBDPRSA-N	1	0	364.486	1.191	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082903679	910794465	/nfs/dbraw/zinc/79/44/65/910794465.db2.gz	XINZCLLDGJXLMQ-SJKOYZFVSA-N	1	0	369.400	1.041	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)no1	ZINC001082917935	910908592	/nfs/dbraw/zinc/90/85/92/910908592.db2.gz	KXIYFBHDCCRLGH-MLGOLLRUSA-N	1	0	367.409	1.430	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NCc3noc(C4CC4)n3)C2)CC1	ZINC001082941167	911016037	/nfs/dbraw/zinc/01/60/37/911016037.db2.gz	UNKYPMOKNWHEBA-RHSMWYFYSA-N	1	0	371.485	1.229	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc(C(N)=O)n2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082951245	911074372	/nfs/dbraw/zinc/07/43/72/911074372.db2.gz	NJWPVDSRIAVZEI-FZKQIMNGSA-N	1	0	363.421	1.302	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2C)C[C@H]1O	ZINC001077821781	911140039	/nfs/dbraw/zinc/14/00/39/911140039.db2.gz	GFWPQFWZCYKRNC-NMLBUPMWSA-N	1	0	358.482	1.946	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082959694	911156699	/nfs/dbraw/zinc/15/66/99/911156699.db2.gz	GQWPTGBDOWTRSJ-XYPHTWIQSA-N	1	0	355.442	1.038	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1)N1CCOCC1	ZINC001082964000	911173865	/nfs/dbraw/zinc/17/38/65/911173865.db2.gz	JCNCUQRHGOLKHD-JTDSTZFVSA-N	1	0	356.470	1.215	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)NCC1(O)CC[NH+](C)CC1	ZINC000273177032	911177117	/nfs/dbraw/zinc/17/71/17/911177117.db2.gz	NALOQWJQLNIRSE-UHFFFAOYSA-N	1	0	362.430	1.162	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CC[NH+](C)C)C2	ZINC000998544956	911201976	/nfs/dbraw/zinc/20/19/76/911201976.db2.gz	UJZMUCXDOMQZSE-FXECBMLZSA-N	1	0	368.481	1.812	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cccc3c2oc(=O)n3C)[C@H](OC)C1	ZINC001212406449	911405555	/nfs/dbraw/zinc/40/55/55/911405555.db2.gz	TYKUAFKCDRXEDP-GDBMZVCRSA-N	1	0	359.426	1.527	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnn(C)c2C)C1=O	ZINC001085134969	921661956	/nfs/dbraw/zinc/66/19/56/921661956.db2.gz	RSAFCILIYNAMPF-ZACQAIPSSA-N	1	0	359.474	1.146	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCO[C@@H]2C[N@H+](CCc3ccc4c(c3)CCO4)C[C@@H]21	ZINC001083024550	911595288	/nfs/dbraw/zinc/59/52/88/911595288.db2.gz	RKFWODSXBOCMSC-DKSSEZFCSA-N	1	0	355.438	1.235	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@H+]2CC[C@@H](C)C2)nc1	ZINC000998952008	911903297	/nfs/dbraw/zinc/90/32/97/911903297.db2.gz	JOJINKMMHOTBOK-JZGRTCEGSA-N	1	0	366.465	1.266	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CCO[C@@H]3C[N@@H+](C[C@H](C)OC)C[C@@H]32)cc1	ZINC001083123857	911917855	/nfs/dbraw/zinc/91/78/55/911917855.db2.gz	WWLUJGLPSYKRPC-ZYSHUDEJSA-N	1	0	360.454	1.812	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CCO[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@@H]21	ZINC001083106326	912048394	/nfs/dbraw/zinc/04/83/94/912048394.db2.gz	VYUWAZSESZBZTA-NZSAHSFTSA-N	1	0	359.470	1.626	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc4cc[nH]c(=O)c4s3)[C@H]2C1	ZINC001083126144	912094667	/nfs/dbraw/zinc/09/46/67/912094667.db2.gz	ZUOYEWCPKGPPMS-UONOGXRCSA-N	1	0	359.451	1.691	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1	ZINC000999184023	912192985	/nfs/dbraw/zinc/19/29/85/912192985.db2.gz	ZAILDINWHNRFJD-KURKYZTESA-N	1	0	359.470	1.447	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3CC[N@H+](CCc4ccns4)C[C@H]32)c1	ZINC001084648893	915832733	/nfs/dbraw/zinc/83/27/33/915832733.db2.gz	YMNUFWRJCYOUBV-CRAIPNDOSA-N	1	0	352.463	1.908	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC(=O)N1	ZINC001085150641	921809916	/nfs/dbraw/zinc/80/99/16/921809916.db2.gz	RGAIGYZOPAOULI-BRWVUGGUSA-N	1	0	358.417	1.493	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(-n3cncn3)nc2)CC1	ZINC000730023403	915962361	/nfs/dbraw/zinc/96/23/61/915962361.db2.gz	QNXGKSDOMKQHAQ-UHFFFAOYSA-N	1	0	355.446	1.502	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC(C(=O)NCC(C)C)CC2)CC1	ZINC000730124811	916178357	/nfs/dbraw/zinc/17/83/57/916178357.db2.gz	GXLJCASUAIKALG-UHFFFAOYSA-N	1	0	350.507	1.831	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c([nH]c3=O)CCOC4)[C@@H]2C1	ZINC001084767107	916961903	/nfs/dbraw/zinc/96/19/03/916961903.db2.gz	GUXZEXLOGMICSB-RDTXWAMCSA-N	1	0	357.454	1.972	20	30		FDEDRO
C[NH+]1CCN(c2ccccc2NC(=O)NC2CCN(CC#N)CC2)CC1	ZINC000730577556	917003837	/nfs/dbraw/zinc/00/38/37/917003837.db2.gz	WCXVOCKIKGPGHF-UHFFFAOYSA-N	1	0	356.474	1.548	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@H]2CC[N@H+](CC3CCOCC3)C[C@H]21	ZINC001084783162	917116575	/nfs/dbraw/zinc/11/65/75/917116575.db2.gz	BZLVZKDCBMUMSF-IEBWSBKVSA-N	1	0	369.465	1.667	20	30		FDEDRO
C#CCOc1ccc(NC(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1	ZINC000731114615	917745936	/nfs/dbraw/zinc/74/59/36/917745936.db2.gz	JMCDLAYLOANOHB-UHFFFAOYSA-N	1	0	372.469	1.620	20	30		FDEDRO
O=c1nc(N=NC2CC[NH+](CCc3ccc(F)cc3)CC2)nc2[nH][nH]cc1-2	ZINC000731155116	917801853	/nfs/dbraw/zinc/80/18/53/917801853.db2.gz	TUBFUDHLJLBJBL-UHFFFAOYSA-N	1	0	369.404	1.678	20	30		FDEDRO
CCn1nncc1C(=O)N1CC[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@H]2C1	ZINC001084935714	918501081	/nfs/dbraw/zinc/50/10/81/918501081.db2.gz	DJDJHFYSXPSJLA-MJGOQNOKSA-N	1	0	364.453	1.906	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)C4(C(F)F)CC4)C[C@@H]32)C1=O	ZINC001084939375	918555058	/nfs/dbraw/zinc/55/50/58/918555058.db2.gz	IKGRWCDITFYWIW-ZNMIVQPWSA-N	1	0	367.440	1.741	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4nn(C)cc4C)C[C@@H]32)C1=O	ZINC001084938470	918588108	/nfs/dbraw/zinc/58/81/08/918588108.db2.gz	KJLTVPUJUINVFY-ULQDDVLXSA-N	1	0	371.485	1.052	20	30		FDEDRO
CN1C[C@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)[C@H]3C2)CC1=O	ZINC001084952889	918730456	/nfs/dbraw/zinc/73/04/56/918730456.db2.gz	LPHDWQBGNHCVJA-QRVBRYPASA-N	1	0	366.465	1.459	20	30		FDEDRO
CCOc1ccc([N+](=O)[O-])cc1C=NNC(=S)NCCC[NH+](C)C	ZINC000731928027	918846766	/nfs/dbraw/zinc/84/67/66/918846766.db2.gz	AXQGTDWTQYJDPZ-UHFFFAOYSA-N	1	0	353.448	1.743	20	30		FDEDRO
C[NH+](C)CCCNC(=S)NN=Cc1ccc(O)c(Br)c1	ZINC000731930573	918852351	/nfs/dbraw/zinc/85/23/51/918852351.db2.gz	CUJJDFUSGCILIT-UHFFFAOYSA-N	1	0	359.293	1.904	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)Nc1cccc(C(=O)NCC[NH+](CC)CC)c1	ZINC000732057950	918972941	/nfs/dbraw/zinc/97/29/41/918972941.db2.gz	NFWUJWUIGZYFEG-IBGZPJMESA-N	1	0	370.497	1.794	20	30		FDEDRO
CN(CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000732188971	919162980	/nfs/dbraw/zinc/16/29/80/919162980.db2.gz	NTWIHCJIZPEIBG-GOSISDBHSA-N	1	0	367.453	1.448	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(CNC(C)=O)cc3)C[C@@H]21	ZINC001084983029	919191128	/nfs/dbraw/zinc/19/11/28/919191128.db2.gz	FPWXPANSECNBCW-QUCCMNQESA-N	1	0	353.466	1.882	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3ccc(C(N)=O)cc3)C[C@@H]21	ZINC001084989129	919257899	/nfs/dbraw/zinc/25/78/99/919257899.db2.gz	FLPWIWWZVDTEMI-MJGOQNOKSA-N	1	0	353.466	1.664	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cnc4cc(OC)ccn34)C[C@@H]21	ZINC001084989465	919259821	/nfs/dbraw/zinc/25/98/21/919259821.db2.gz	ZNDCBLRUCWBLSX-QAPCUYQASA-N	1	0	352.438	1.903	20	30		FDEDRO
O=C([C@H]1CCNC1=O)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001085005445	919507309	/nfs/dbraw/zinc/50/73/09/919507309.db2.gz	WNAQOXVNRPDGOJ-QYZOEREBSA-N	1	0	351.450	1.097	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](C[C@H]3CCS(=O)(=O)C3)[C@H]2C1	ZINC001085004882	919549537	/nfs/dbraw/zinc/54/95/37/919549537.db2.gz	QZDAINZFYOPYQV-ZACQAIPSSA-N	1	0	368.543	1.946	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN(C(C)(C)C)C3=O)C[C@@H]21	ZINC001085013748	919646505	/nfs/dbraw/zinc/64/65/05/919646505.db2.gz	DSONJWBGRLSNBN-KURKYZTESA-N	1	0	359.514	1.970	20	30		FDEDRO
CN(C(=O)COc1cccc(C#N)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000732559802	919794861	/nfs/dbraw/zinc/79/48/61/919794861.db2.gz	RLWDOTAMJADTIB-SFHVURJKSA-N	1	0	356.470	1.564	20	30		FDEDRO
C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)N4CCOCC4)[C@H]3C2)C1	ZINC001085026950	919829770	/nfs/dbraw/zinc/82/97/70/919829770.db2.gz	DHTRLQDYMMDORG-SJORKVTESA-N	1	0	361.486	1.124	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)C(C)(C)C(F)F)C[C@@H]32)C1=O	ZINC001085027441	919832370	/nfs/dbraw/zinc/83/23/70/919832370.db2.gz	KXNQNALVIREFJP-KKUMJFAQSA-N	1	0	369.456	1.987	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)C4CC5(CC5)C4)C[C@@H]32)C1=O	ZINC001085028869	919845034	/nfs/dbraw/zinc/84/50/34/919845034.db2.gz	TUODZPKIGMUBGJ-JQHSSLGASA-N	1	0	357.498	1.886	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(CN4CCCC4)on3)C[C@@H]21	ZINC001085033708	919900078	/nfs/dbraw/zinc/90/00/78/919900078.db2.gz	VTJLJMUPWWIQRL-APWZRJJASA-N	1	0	356.470	1.830	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)CCn4cccc4)C[C@@H]32)C1=O	ZINC001085062534	920308083	/nfs/dbraw/zinc/30/80/83/920308083.db2.gz	CJDOXIORGZJNNC-FHWLQOOXSA-N	1	0	370.497	1.588	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](CCc4cnn(C)c4)[C@H]3C2)cn1	ZINC001085078257	920539830	/nfs/dbraw/zinc/53/98/30/920539830.db2.gz	KPYOCMPSFKGVTM-XLIONFOSSA-N	1	0	363.465	1.576	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CN3Cc4ccccc4C3=O)C[C@@H]21	ZINC001085077922	920584150	/nfs/dbraw/zinc/58/41/50/920584150.db2.gz	PBLGSHXXZFGIAD-APWZRJJASA-N	1	0	351.450	1.589	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4c(cn3)nc[nH]c4=O)C[C@@H]21	ZINC001085084361	920673397	/nfs/dbraw/zinc/67/33/97/920673397.db2.gz	ZCCHPXGSLWRBQR-DYVFJYSZSA-N	1	0	353.426	1.843	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C[NH+](C)C)C(C)C)cc1	ZINC000733166864	920716330	/nfs/dbraw/zinc/71/63/30/920716330.db2.gz	SARSEWHYQXJQKC-MRXNPFEDSA-N	1	0	353.488	1.467	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)C[NH+](CC)CC)ccc1F	ZINC000733169017	920722098	/nfs/dbraw/zinc/72/20/98/920722098.db2.gz	OBVQYNLHYDOIHF-ZDUSSCGKSA-N	1	0	371.478	1.750	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cncn3)C[C@@H]21	ZINC001085088385	920760240	/nfs/dbraw/zinc/76/02/40/920760240.db2.gz	UCBNJARXCUFJJY-QAPCUYQASA-N	1	0	350.426	1.273	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCCN3C(=O)C(C)C)C[C@@H]21	ZINC001085099674	920905145	/nfs/dbraw/zinc/90/51/45/920905145.db2.gz	FODMVEZTTINWIQ-QRVBRYPASA-N	1	0	359.514	1.970	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC(=O)N1	ZINC001085150697	921810841	/nfs/dbraw/zinc/81/08/41/921810841.db2.gz	TUSDRBWULMENHN-BRWVUGGUSA-N	1	0	370.453	1.362	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C(N)=O)cc2)c1	ZINC001085163998	921911756	/nfs/dbraw/zinc/91/17/56/921911756.db2.gz	KHMBYGHICVWFIX-IAGOWNOFSA-N	1	0	365.437	1.816	20	30		FDEDRO
Cn1c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C#N)c[nH]2)nnc1C1CC1	ZINC001085164076	921912996	/nfs/dbraw/zinc/91/29/96/921912996.db2.gz	OUTOOEGUDOPPLI-HUUCEWRRSA-N	1	0	367.457	1.723	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C)ncn2)C1=O	ZINC001085171792	921982318	/nfs/dbraw/zinc/98/23/18/921982318.db2.gz	CXHMJVJQEQYRBC-BZUAXINKSA-N	1	0	357.458	1.203	20	30		FDEDRO
Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)NCC#CC[NH+](C)C	ZINC000823675007	921998112	/nfs/dbraw/zinc/99/81/12/921998112.db2.gz	RNZZCPTXKKRETO-UHFFFAOYSA-N	1	0	358.442	1.154	20	30		FDEDRO
Cn1ncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)c(F)c2)c1N	ZINC001085178629	922026442	/nfs/dbraw/zinc/02/64/42/922026442.db2.gz	MIHGQXIDFSWDMN-IAGOWNOFSA-N	1	0	370.432	1.844	20	30		FDEDRO
O=C(NCC[NH2+]Cc1ccc(Br)cn1)C1N=CC=CC1=O	ZINC000733798345	922066809	/nfs/dbraw/zinc/06/68/09/922066809.db2.gz	QNUZYQAHSFMPOX-BUHFOSPRSA-N	1	0	351.204	1.460	20	30		FDEDRO
Cn1nncc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001085187831	922077215	/nfs/dbraw/zinc/07/72/15/922077215.db2.gz	XSJKHCGHMYBRNE-HZPDHXFCSA-N	1	0	356.405	1.657	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)CSCC#N)CC2)CC[N@@H+]1C	ZINC001065877261	922486047	/nfs/dbraw/zinc/48/60/47/922486047.db2.gz	USGZEBQFAQWYCZ-RBSFLKMASA-N	1	0	352.504	1.081	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(c4cccc(F)c4C#N)C[C@H]3C2)CC[N@@H+]1C	ZINC001066076853	922547123	/nfs/dbraw/zinc/54/71/23/922547123.db2.gz	UVUPOWMXUUHJDL-LVQVYYBASA-N	1	0	356.445	1.932	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)CCC[NH+](C)C)CC1	ZINC001066217357	922611053	/nfs/dbraw/zinc/61/10/53/922611053.db2.gz	LDQPYBGJDIHRCD-AOIWGVFYSA-N	1	0	365.518	1.807	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@H]2CCN3c2cncc(C#N)n2)CC[N@@H+]1C	ZINC001066203423	922625496	/nfs/dbraw/zinc/62/54/96/922625496.db2.gz	RQOMIMANPBETNF-XWTMOSNGSA-N	1	0	368.485	1.648	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3c2cnc(C#N)cn2)CC[N@@H+]1C	ZINC001066203767	922626826	/nfs/dbraw/zinc/62/68/26/922626826.db2.gz	WOLSCLSIVGGJTI-BSDSXHPESA-N	1	0	368.485	1.648	20	30		FDEDRO
C[C@](C#N)(NC(=O)C[NH2+][C@]1(CO)CCCN(Cc2ccccc2)C1)C1CC1	ZINC000733998626	922819625	/nfs/dbraw/zinc/81/96/25/922819625.db2.gz	AJNAZKFIRAQUBM-NHCUHLMSSA-N	1	0	370.497	1.412	20	30		FDEDRO
C[C@](C#N)(NC(=O)C[NH2+][C@@]1(CO)CCCN(Cc2ccccc2)C1)C1CC1	ZINC000733998627	922820785	/nfs/dbraw/zinc/82/07/85/922820785.db2.gz	AJNAZKFIRAQUBM-RTWAWAEBSA-N	1	0	370.497	1.412	20	30		FDEDRO
CN1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)s2)CC1=O	ZINC001085217146	922856497	/nfs/dbraw/zinc/85/64/97/922856497.db2.gz	PUPJHKPRLKSXIS-APHBMKBZSA-N	1	0	360.483	1.615	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCNC1=O	ZINC001085223362	922935619	/nfs/dbraw/zinc/93/56/19/922935619.db2.gz	HHDSVHMQNSABKW-ZTFGCOKTSA-N	1	0	354.454	1.601	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1	ZINC000734134665	922977559	/nfs/dbraw/zinc/97/75/59/922977559.db2.gz	VZAASDMXETWNBD-UHFFFAOYSA-N	1	0	364.449	1.775	20	30		FDEDRO
C[C@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)CCNC(=O)C1	ZINC001085242958	923124666	/nfs/dbraw/zinc/12/46/66/923124666.db2.gz	OHHGEKTVKVGFKE-OPYAIIAOSA-N	1	0	368.481	1.992	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1cn(CC)nn1	ZINC001085282022	923487821	/nfs/dbraw/zinc/48/78/21/923487821.db2.gz	XDBMMEPVVVPIMZ-ZIAGYGMSSA-N	1	0	370.295	1.766	20	30		FDEDRO
Cc1nn[nH]c1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001085293576	923611184	/nfs/dbraw/zinc/61/11/84/923611184.db2.gz	PCNBBELHAOTUJI-HZPDHXFCSA-N	1	0	356.405	1.955	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2CN(C(=O)[C@@H]3C[C@H]3C3CCC3)C2)CC1	ZINC001006242820	923833057	/nfs/dbraw/zinc/83/30/57/923833057.db2.gz	WOVFNMKZSRWKOC-RYGJVYDSSA-N	1	0	371.525	1.731	20	30		FDEDRO
Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)[nH]c1=O	ZINC001085320911	923852944	/nfs/dbraw/zinc/85/29/44/923852944.db2.gz	WMRLCGQWQVMQTP-HZPDHXFCSA-N	1	0	353.426	1.828	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@]1(C)CCNC1=O	ZINC001085329935	923923754	/nfs/dbraw/zinc/92/37/54/923923754.db2.gz	LKYUCPPTGJEULL-JMSVASOKSA-N	1	0	358.280	1.438	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001085334217	923967534	/nfs/dbraw/zinc/96/75/34/923967534.db2.gz	AIRGQMHWRUOGNP-WJFTUGDTSA-N	1	0	368.481	1.800	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnn(C)n2)cc1C#N	ZINC001085362426	924256690	/nfs/dbraw/zinc/25/66/90/924256690.db2.gz	BIAIFSFPQLAWAU-HZPDHXFCSA-N	1	0	368.441	1.526	20	30		FDEDRO
C[NH+](C)CC(=O)N1CCN(Cc2cc(Cl)ccc2OCC#N)CC1	ZINC000735364380	924275391	/nfs/dbraw/zinc/27/53/91/924275391.db2.gz	QBNQQZMWKLJHSD-UHFFFAOYSA-N	1	0	350.850	1.448	20	30		FDEDRO
N#Cc1cccc(-c2c[nH]c(CNC(=O)C3C[NH+]([C@@H]4CCOC4)C3)n2)c1	ZINC000826791760	924308608	/nfs/dbraw/zinc/30/86/08/924308608.db2.gz	BQKVQWNGKADUGK-MRXNPFEDSA-N	1	0	351.410	1.285	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2[nH]cnc2C)C1=O	ZINC001085406257	924483534	/nfs/dbraw/zinc/48/35/34/924483534.db2.gz	XAGXMAHZMRUMSF-BZUAXINKSA-N	1	0	359.474	1.065	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NCc2ncc(C)o2)CC1	ZINC001085432719	924680310	/nfs/dbraw/zinc/68/03/10/924680310.db2.gz	MLZFWDITCHVUEI-QZTJIDSGSA-N	1	0	358.486	1.845	20	30		FDEDRO
C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N)N1CCOCC1	ZINC001085443552	924748824	/nfs/dbraw/zinc/74/88/24/924748824.db2.gz	RYXMMTSFVXMNOF-PWIZWCRZSA-N	1	0	370.497	1.796	20	30		FDEDRO
COc1ccc(CN2CC[C@@H]2CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1C#N	ZINC001085605680	924957280	/nfs/dbraw/zinc/95/72/80/924957280.db2.gz	QCUOOSDDMRFESW-ATZDWAIDSA-N	1	0	370.497	1.940	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)CC1	ZINC000740735469	925419272	/nfs/dbraw/zinc/41/92/72/925419272.db2.gz	GWECQOPZTKLJFW-UHFFFAOYSA-N	1	0	372.494	1.679	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1	ZINC000740735863	925419933	/nfs/dbraw/zinc/41/99/33/925419933.db2.gz	RRUVXQINQHMACJ-OAHLLOKOSA-N	1	0	357.429	1.783	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)N2CCN(C)CC2)CC1	ZINC000740735991	925420003	/nfs/dbraw/zinc/42/00/03/925420003.db2.gz	YSMCZJJNRIUOJV-OAQYLSRUSA-N	1	0	368.525	1.579	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)C2=NN(c3ccccc3)[C@H](C(C)=O)C2)CC1	ZINC000740735815	925420167	/nfs/dbraw/zinc/42/01/67/925420167.db2.gz	QHWZYGCXHWAYJH-FQEVSTJZSA-N	1	0	366.465	1.814	20	30		FDEDRO
C=C(Cl)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1	ZINC001098398104	925571086	/nfs/dbraw/zinc/57/10/86/925571086.db2.gz	JCTQBIAXZNWHQE-HUUCEWRRSA-N	1	0	352.866	1.551	20	30		FDEDRO
C#CCCN1CCO[C@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1	ZINC001108231597	925713132	/nfs/dbraw/zinc/71/31/32/925713132.db2.gz	YCPMUVPSJGAGIN-RZUBCFFCSA-N	1	0	369.509	1.562	20	30		FDEDRO
N#Cc1cc(S(N)(=O)=O)ccc1NC1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000742392325	926040158	/nfs/dbraw/zinc/04/01/58/926040158.db2.gz	HTGGIWJPFFXYDP-HNNXBMFYSA-N	1	0	364.471	1.261	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)C1=O	ZINC001086151950	926160715	/nfs/dbraw/zinc/16/07/15/926160715.db2.gz	PAUJNWXBPZOODS-KHHDSSOXSA-N	1	0	361.486	1.073	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(C#N)c[nH]2)C1	ZINC001006287848	926249694	/nfs/dbraw/zinc/24/96/94/926249694.db2.gz	YJUYDKKIVPDSON-CRNXPOROSA-N	1	0	355.442	1.090	20	30		FDEDRO
C=C(Br)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cncn2C)C1	ZINC001086202291	926287075	/nfs/dbraw/zinc/28/70/75/926287075.db2.gz	RFNFQASLVPPQIH-XJFOESAGSA-N	1	0	367.291	1.917	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)NCCCC[NH+]1CCN(C)CC1	ZINC000743195574	926289666	/nfs/dbraw/zinc/28/96/66/926289666.db2.gz	YDWFDFNFIIVPJK-UHFFFAOYSA-N	1	0	362.449	1.987	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)NCC(C)(C)N1CC[NH+](C)CC1	ZINC000743201959	926291653	/nfs/dbraw/zinc/29/16/53/926291653.db2.gz	SRNYAIWUSMHJMY-UHFFFAOYSA-N	1	0	362.449	1.985	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCCN(C)C2=O)C1	ZINC001086220758	926326700	/nfs/dbraw/zinc/32/67/00/926326700.db2.gz	OXTCCWJHYALQNO-ADHGMGHFSA-N	1	0	363.502	1.463	20	30		FDEDRO
CC[N@H+](C)C[C@@H]1CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1	ZINC000743399766	926347971	/nfs/dbraw/zinc/34/79/71/926347971.db2.gz	XORAZHHPQNXLSM-OXJNMPFZSA-N	1	0	369.469	1.556	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NCc2noc(C3CC3)n2)C1	ZINC001086223157	926352521	/nfs/dbraw/zinc/35/25/21/926352521.db2.gz	BKYAFNSYDXLBMV-GUSZCTEKSA-N	1	0	360.458	1.913	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)CCC[NH+](C)C)CC1	ZINC001066458816	926410829	/nfs/dbraw/zinc/41/08/29/926410829.db2.gz	OEQHZNVHZLIIGG-AOIWGVFYSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ncnn2C(C)C)C1	ZINC001086369160	926862298	/nfs/dbraw/zinc/86/22/98/926862298.db2.gz	TXKOSDKXRHWDKA-VQHPVUNQSA-N	1	0	361.490	1.825	20	30		FDEDRO
C[NH+](C)Cc1ccccc1CNC(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000746021778	927544655	/nfs/dbraw/zinc/54/46/55/927544655.db2.gz	VHPJKSRLMGYROP-VHEBQXMUSA-N	1	0	356.426	1.281	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1	ZINC001066549427	927563924	/nfs/dbraw/zinc/56/39/24/927563924.db2.gz	ZXBOIOPQTRMPJD-BBWFWOEESA-N	1	0	365.518	1.805	20	30		FDEDRO
CC[NH+](CC)CC1CCN(C(=O)CCNC(=O)C2N=CC=CC2=O)CC1	ZINC000746179111	927650088	/nfs/dbraw/zinc/65/00/88/927650088.db2.gz	RVNVWROXRASYDI-HNENSFHCSA-N	1	0	362.474	1.483	20	30		FDEDRO
N#CCn1cc(NC(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cn1	ZINC000746354685	927901773	/nfs/dbraw/zinc/90/17/73/927901773.db2.gz	ZEOGFODQVYLBFU-UHFFFAOYSA-N	1	0	366.425	1.257	20	30		FDEDRO
CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)Nc2cnn(CC#N)c2)cc1	ZINC000746354553	927903408	/nfs/dbraw/zinc/90/34/08/927903408.db2.gz	VSZVVTORGVZJBI-UHFFFAOYSA-N	1	0	368.441	1.503	20	30		FDEDRO
N#CCn1cc(NC(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)cn1	ZINC000746379728	927928678	/nfs/dbraw/zinc/92/86/78/927928678.db2.gz	SEHURZQDUCVYDZ-UHFFFAOYSA-N	1	0	358.446	1.070	20	30		FDEDRO
CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)Nc1cnn(CC#N)c1	ZINC000746391526	927939639	/nfs/dbraw/zinc/93/96/39/927939639.db2.gz	TUEWMHJMHWATOX-UHFFFAOYSA-N	1	0	368.441	1.455	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)c1ccc(Cl)cc1	ZINC000746432210	927978157	/nfs/dbraw/zinc/97/81/57/927978157.db2.gz	KZEMUUDMIXFAHS-HNNXBMFYSA-N	1	0	374.832	1.418	20	30		FDEDRO
C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCCCC[NH+](C)C	ZINC000766382588	927979029	/nfs/dbraw/zinc/97/90/29/927979029.db2.gz	LXFTYZNWPJISAF-AWEZNQCLSA-N	1	0	367.471	1.500	20	30		FDEDRO
CC(C)(C)OC(=O)[C@@H](C#N)c1cccc(-n2cncc2C[C@@H]([NH3+])CO)n1	ZINC001169072749	928262882	/nfs/dbraw/zinc/26/28/82/928262882.db2.gz	WHCPMJCUNNINRC-OCCSQVGLSA-N	1	0	357.414	1.078	20	30		FDEDRO
Cc1ccc(C(=NO)Nc2cccc3nc([C@@H]4C[NH2+]CCO4)cn32)nc1	ZINC001169411907	928606963	/nfs/dbraw/zinc/60/69/63/928606963.db2.gz	KXCJJTBYUDBAJT-HNNXBMFYSA-N	1	0	352.398	1.947	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2ncccn2)[C@@H](n2ccnn2)C1	ZINC001129332814	928690095	/nfs/dbraw/zinc/69/00/95/928690095.db2.gz	JENPEUFXPJALTN-ZACQAIPSSA-N	1	0	369.473	1.397	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2cccc2)[C@@H](n2ccnn2)C1	ZINC001129342709	928870672	/nfs/dbraw/zinc/87/06/72/928870672.db2.gz	VBVRITVMSOHCCK-KURKYZTESA-N	1	0	356.474	1.866	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cn(C(C)C)nn2)[C@@H](n2ccnn2)C1	ZINC001129348179	928924949	/nfs/dbraw/zinc/92/49/49/928924949.db2.gz	LZYOYXPEBUCPQJ-ZBFHGGJFSA-N	1	0	358.450	1.072	20	30		FDEDRO
C=CCN1CC[C@]2(CCC[N@@H+](C3CCC(S(C)(=O)=O)CC3)C2)C1=O	ZINC001169882363	928941516	/nfs/dbraw/zinc/94/15/16/928941516.db2.gz	MDBICVGKMSODFG-HTWSVDAQSA-N	1	0	354.516	1.843	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@@H]1CCSC1	ZINC000767068790	929066613	/nfs/dbraw/zinc/06/66/13/929066613.db2.gz	LFMNBKCCNCRSKE-KGLIPLIRSA-N	1	0	368.503	1.395	20	30		FDEDRO
CC(CC[NH+](C)C)N=Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1	ZINC000767378089	929247353	/nfs/dbraw/zinc/24/73/53/929247353.db2.gz	OVIMRLYRWJLNHM-UHFFFAOYSA-N	1	0	367.519	1.362	20	30		FDEDRO
CNS(=O)(=O)c1cccc(NC(=O)C[NH2+]Cc2ccc(C#N)c(C)c2)c1	ZINC000767689626	929580704	/nfs/dbraw/zinc/58/07/04/929580704.db2.gz	NORRJIOTLUOEOR-UHFFFAOYSA-N	1	0	372.450	1.503	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2	ZINC001109560887	929764278	/nfs/dbraw/zinc/76/42/78/929764278.db2.gz	WYYDKRLUNHECEL-QYZOEREBSA-N	1	0	361.530	1.870	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2	ZINC001109565336	929788529	/nfs/dbraw/zinc/78/85/29/929788529.db2.gz	LFOPRRLQBIYKMV-MHORFTMASA-N	1	0	374.529	1.110	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)N(C)C	ZINC001109597175	929907709	/nfs/dbraw/zinc/90/77/09/929907709.db2.gz	BRSFCRKVSJTWKX-PMPSAXMXSA-N	1	0	371.547	1.592	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)N(C)C	ZINC001109634795	929953881	/nfs/dbraw/zinc/95/38/81/929953881.db2.gz	XXQKEGZKLAWFAQ-NCOADZHNSA-N	1	0	371.547	1.592	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCc3nn(C)cc31)C2	ZINC001109645059	929997269	/nfs/dbraw/zinc/99/72/69/929997269.db2.gz	OGOLLCYUBKANAL-LTDCPUDJSA-N	1	0	358.486	1.764	20	30		FDEDRO
C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCN(S(C)(=O)=O)C1	ZINC001109657479	930043919	/nfs/dbraw/zinc/04/39/19/930043919.db2.gz	QUXFZBFQLNINBL-YVSFHVDLSA-N	1	0	369.531	1.346	20	30		FDEDRO
C#CC(C)(C)[NH2+][C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1	ZINC001170016214	930212110	/nfs/dbraw/zinc/21/21/10/930212110.db2.gz	XQYSODQZGBIULE-KBPBESRZSA-N	1	0	367.515	1.899	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O	ZINC000770801131	930265457	/nfs/dbraw/zinc/26/54/57/930265457.db2.gz	AJCKWJJDCAPPNU-GVDBMIGSSA-N	1	0	362.470	1.829	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCS(=O)(=O)CC1)C2	ZINC001109778631	930399258	/nfs/dbraw/zinc/39/92/58/930399258.db2.gz	QBIITJMKLWEXJF-ORQFMDKSSA-N	1	0	354.516	1.887	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(=O)NC1CCCC1)C2	ZINC001109881532	930660638	/nfs/dbraw/zinc/66/06/38/930660638.db2.gz	XWYJQQGWKJHRST-SQNIBIBYSA-N	1	0	363.502	1.750	20	30		FDEDRO
C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCC(=O)N(C)CCC#N	ZINC000771457005	930661559	/nfs/dbraw/zinc/66/15/59/930661559.db2.gz	ISAYATZOCZLRNZ-LSDHHAIUSA-N	1	0	352.479	1.984	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCn2cncn2)C3)c1	ZINC001109934305	930800899	/nfs/dbraw/zinc/80/08/99/930800899.db2.gz	YOGLYLXSUVJBRQ-QYZOEREBSA-N	1	0	364.453	1.852	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC(C)C	ZINC001109996637	931014502	/nfs/dbraw/zinc/01/45/02/931014502.db2.gz	KONVLFKFSUCSCX-NJAFHUGGSA-N	1	0	357.454	1.854	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)N(C)CCCOc2ccccc2)CC1	ZINC000772113585	931080781	/nfs/dbraw/zinc/08/07/81/931080781.db2.gz	OPHOLUMALBNYMX-UHFFFAOYSA-N	1	0	372.465	1.802	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1	ZINC000747736722	931180636	/nfs/dbraw/zinc/18/06/36/931180636.db2.gz	NMOCFOJGXHXEBU-UHFFFAOYSA-N	1	0	353.466	1.884	20	30		FDEDRO
C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1	ZINC001170040921	931191878	/nfs/dbraw/zinc/19/18/78/931191878.db2.gz	ZNUAGRQBINLCON-QAPCUYQASA-N	1	0	354.454	1.875	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COc3ccccc3O1)C2	ZINC001110056991	931297984	/nfs/dbraw/zinc/29/79/84/931297984.db2.gz	UFPCDZFRNHMOED-DRMAHVMPSA-N	1	0	358.438	1.751	20	30		FDEDRO
C[C@H](O)C[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@@H](C)CO	ZINC000785537233	931443598	/nfs/dbraw/zinc/44/35/98/931443598.db2.gz	PGLALVSIHHGQBZ-KCQAQPDRSA-N	1	0	354.410	1.287	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NCc1ccccc1C[NH+]1CCCC1)[C@H]1CCCO1	ZINC000785581249	931518237	/nfs/dbraw/zinc/51/82/37/931518237.db2.gz	UHBZNZFRMORMNC-RBUKOAKNSA-N	1	0	369.465	1.196	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(CC)CCCC1)C2	ZINC001112554376	931519360	/nfs/dbraw/zinc/51/93/60/931519360.db2.gz	ODPNTPBJAHRWMS-UWJYYQICSA-N	1	0	359.514	1.925	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnn(CCOCC)c1)C2	ZINC001112553660	931535101	/nfs/dbraw/zinc/53/51/01/931535101.db2.gz	CHRKCUQRVCJPDA-ICSRJNTNSA-N	1	0	358.486	1.775	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn(C[C@@H]3CCOC3)nn1)C2	ZINC001112554106	931537114	/nfs/dbraw/zinc/53/71/14/931537114.db2.gz	ZSWGGIOZDAWMGP-ZWOKBUDYSA-N	1	0	371.485	1.170	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)CCCOC)C2	ZINC001112558950	931582386	/nfs/dbraw/zinc/58/23/86/931582386.db2.gz	FAKKGFCBLIIVFH-UWVAXJGDSA-N	1	0	363.502	1.017	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1nc(C)ccc1=O)C2	ZINC001112567033	931637616	/nfs/dbraw/zinc/63/76/16/931637616.db2.gz	RXRBRTRGAYMCHN-PXNSSMCTSA-N	1	0	358.486	1.736	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(C)c(C)c1)C2	ZINC001112572938	931673072	/nfs/dbraw/zinc/67/30/72/931673072.db2.gz	BBHZWJKXBUYHJB-UGKGYDQZSA-N	1	0	367.493	1.885	20	30		FDEDRO
N#Cc1ccc(C(=O)OCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[nH]1	ZINC000786071734	931726032	/nfs/dbraw/zinc/72/60/32/931726032.db2.gz	QVIOLAHIAZUSEC-UHFFFAOYSA-N	1	0	366.421	1.955	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn(C)c(=O)[nH]c1=O)C2	ZINC001112577853	931730771	/nfs/dbraw/zinc/73/07/71/931730771.db2.gz	IGXJVGJDVHKAQG-LIRRHRJNSA-N	1	0	360.458	1.284	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1COCCN1C(C)=O)C2	ZINC001112581848	931746095	/nfs/dbraw/zinc/74/60/95/931746095.db2.gz	UIWZLZPJGAKXLT-NSHGMRRFSA-N	1	0	363.502	1.418	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCc3c[nH]nc3C1)C2	ZINC001112583016	931751530	/nfs/dbraw/zinc/75/15/30/931751530.db2.gz	ZAHOSXDQCIFPDK-MDKPJZGXSA-N	1	0	370.497	1.383	20	30		FDEDRO
Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)c(C)n1	ZINC001112583942	931758242	/nfs/dbraw/zinc/75/82/42/931758242.db2.gz	SFBWGIDOIKVZDU-JXFKEZNVSA-N	1	0	369.469	1.170	20	30		FDEDRO
CCOCCO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#CCOC)C1	ZINC001112585022	931787694	/nfs/dbraw/zinc/78/76/94/931787694.db2.gz	VWKKTHSLMODQLZ-BJLQDIEVSA-N	1	0	366.502	1.296	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)CS(C)(=O)=O)C2	ZINC001112588521	931797538	/nfs/dbraw/zinc/79/75/38/931797538.db2.gz	FEYQXKHUFGGNHU-YJBOKZPZSA-N	1	0	354.516	1.299	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)C(=O)NCCC)C1	ZINC001112588963	931801076	/nfs/dbraw/zinc/80/10/76/931801076.db2.gz	FBPOQIZXQPDSNJ-ZWOKBUDYSA-N	1	0	365.518	1.712	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCN(CC)C2=O)C1	ZINC001112589130	931801940	/nfs/dbraw/zinc/80/19/40/931801940.db2.gz	MKPHQCKAIIAHEN-ZWOKBUDYSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cnns2)C1	ZINC001112589194	931802181	/nfs/dbraw/zinc/80/21/81/931802181.db2.gz	OWPBAIVXUIDNIU-YOEHRIQHSA-N	1	0	350.488	1.849	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(F)s1)C2	ZINC001112590011	931808431	/nfs/dbraw/zinc/80/84/31/931808431.db2.gz	YNEXWKUODWQQAU-UGSOOPFHSA-N	1	0	363.458	1.469	20	30		FDEDRO
Cn1ncc2c1[nH]c(NN=C1CCOC[C@@H]1C[NH+]1CCCCC1)nc2=O	ZINC000787157021	932215876	/nfs/dbraw/zinc/21/58/76/932215876.db2.gz	CIQVUMNXBSZFMA-LBPRGKRZSA-N	1	0	359.434	1.359	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)COc2ccsc2)[C@@H](n2ccnn2)C1	ZINC001129393479	932240431	/nfs/dbraw/zinc/24/04/31/932240431.db2.gz	LWTBKXALDCOWIG-CVEARBPZSA-N	1	0	361.471	1.726	20	30		FDEDRO
CC1CC[NH+](CCCCNC(=O)C(=O)NCc2cc(C#N)ccc2F)CC1	ZINC000787896630	932479341	/nfs/dbraw/zinc/47/93/41/932479341.db2.gz	XGUKHTNCXGPRHB-UHFFFAOYSA-N	1	0	374.460	1.942	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(c2cc(Br)cnc2C#N)CC1	ZINC000787899915	932481270	/nfs/dbraw/zinc/48/12/70/932481270.db2.gz	ZTRIFUWSYOWDTF-UHFFFAOYSA-N	1	0	353.264	1.999	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)CCCC[NH+]3CCCC3)CC2)c1C#N	ZINC000788260591	932619884	/nfs/dbraw/zinc/61/98/84/932619884.db2.gz	CUSHDSWPLUMCFB-UHFFFAOYSA-N	1	0	358.490	1.515	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CC[N@@H+](CCC)C2)n1	ZINC000788578363	932745187	/nfs/dbraw/zinc/74/51/87/932745187.db2.gz	UDCXDOBHGTVDDY-QGZVFWFLSA-N	1	0	361.490	1.406	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)[C@@H]1CCCO1	ZINC000789744185	933174711	/nfs/dbraw/zinc/17/47/11/933174711.db2.gz	OJDHPLKKGCRIKU-UAGQMJEPSA-N	1	0	371.437	1.307	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CS(=O)(=O)C2)C1	ZINC001086590101	933652742	/nfs/dbraw/zinc/65/27/42/933652742.db2.gz	LWNLGKRJLRRTJB-ZWKOTPCHSA-N	1	0	362.495	1.581	20	30		FDEDRO
C#C[C@H](CCC)NC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000791070569	933857949	/nfs/dbraw/zinc/85/79/49/933857949.db2.gz	VPAVEPPFVIZHJC-RBUKOAKNSA-N	1	0	370.497	1.985	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn3cccnc3n2)C1	ZINC001086596616	933937094	/nfs/dbraw/zinc/93/70/94/933937094.db2.gz	KUZKEMDULGRDBC-ZWKOTPCHSA-N	1	0	359.433	1.950	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)C1	ZINC001086597862	933980080	/nfs/dbraw/zinc/98/00/80/933980080.db2.gz	CRZFDTWGJXZFIU-GBESFXJTSA-N	1	0	370.497	1.937	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NC[C@H](c1ccco1)[NH+](CC)CC	ZINC000793844475	934287278	/nfs/dbraw/zinc/28/72/78/934287278.db2.gz	NQSHIHMPIWQOSF-GFCCVEGCSA-N	1	0	372.263	1.804	20	30		FDEDRO
C#CCC[C@H](O)CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2	ZINC000822679122	945154943	/nfs/dbraw/zinc/15/49/43/945154943.db2.gz	AROOHQAJDBUXFP-IRFCIJBXSA-N	1	0	356.466	1.416	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C(=O)N2CCC[C@@H]2CC)C1	ZINC001086618639	938349661	/nfs/dbraw/zinc/34/96/61/938349661.db2.gz	CPDVJCSWGUYKSV-SLFFLAALSA-N	1	0	367.493	1.995	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2[nH]cnc2C)[C@@H](n2ccnn2)C1	ZINC001129403557	938416636	/nfs/dbraw/zinc/41/66/36/938416636.db2.gz	CQIDNWBGODGGPJ-XKQJLSEDSA-N	1	0	357.462	1.249	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)CCn2cc(Cl)cn2)[C@@H](n2ccnn2)C1	ZINC001129453877	938421430	/nfs/dbraw/zinc/42/14/30/938421430.db2.gz	NEDXEUBPFSNHQL-CABCVRRESA-N	1	0	363.853	1.136	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCCCCF)C[C@@H]1n1ccnn1	ZINC001129480787	938433971	/nfs/dbraw/zinc/43/39/71/938433971.db2.gz	DNKCNUPRHBFVPO-XHSDSOJGSA-N	1	0	353.442	1.351	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2COc3ccccc32)[C@@H](n2ccnn2)C1	ZINC001129484689	938439801	/nfs/dbraw/zinc/43/98/01/938439801.db2.gz	AVPBVKAWXKWWKM-KSZLIROESA-N	1	0	367.453	1.762	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2ncccc2OCC)[C@@H](n2ccnn2)C1	ZINC001129496192	938444008	/nfs/dbraw/zinc/44/40/08/938444008.db2.gz	IBNZWGIVEWZYIY-CVEARBPZSA-N	1	0	370.457	1.693	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CC2CCCCC2)C[C@@H]1n1ccnn1	ZINC001129556510	938452879	/nfs/dbraw/zinc/45/28/79/938452879.db2.gz	PCMMMAOYXPSRFU-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
Cc1ccccc1C[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@@H]1n1ccnn1	ZINC001129604118	938463113	/nfs/dbraw/zinc/46/31/13/938463113.db2.gz	XIXIIXFSWFMXKZ-SJORKVTESA-N	1	0	370.482	1.385	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)c2cnns2)C[C@@H]1n1ccnn1	ZINC001129608749	938463922	/nfs/dbraw/zinc/46/39/22/938463922.db2.gz	XPQSIWDHMQEISG-KGLIPLIRSA-N	1	0	363.491	1.755	20	30		FDEDRO
COCCCC(=O)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129664303	938477848	/nfs/dbraw/zinc/47/78/48/938477848.db2.gz	GPHHFTKBNXXNSX-MOPGFXCFSA-N	1	0	367.453	1.098	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]Cc2cn(C(C)C)nc2C)[C@@H](n2ccnn2)C1	ZINC001129671531	938479676	/nfs/dbraw/zinc/47/96/76/938479676.db2.gz	ROSBVOZMDONXTP-MSOLQXFVSA-N	1	0	371.489	1.872	20	30		FDEDRO
CC[C@H](OC)C(=O)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129655692	938482828	/nfs/dbraw/zinc/48/28/28/938482828.db2.gz	CYSDQGRGYNWFEJ-QYZOEREBSA-N	1	0	367.453	1.096	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]CCCCC(F)(F)F)[C@@H](n2ccnn2)C1	ZINC001129677964	938491046	/nfs/dbraw/zinc/49/10/46/938491046.db2.gz	QVTFBHDBNPUBBE-XQQFMLRXSA-N	1	0	358.368	1.512	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cncc(F)c2)C[C@@H]1n1ccnn1	ZINC001129742038	938504713	/nfs/dbraw/zinc/50/47/13/938504713.db2.gz	OMIYJDVFEVATBO-XYPHTWIQSA-N	1	0	358.421	1.822	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2nccn2CC)C[C@@H]1n1ccnn1	ZINC001129789283	938507362	/nfs/dbraw/zinc/50/73/62/938507362.db2.gz	VVIJPBNOINKUSU-XHSDSOJGSA-N	1	0	357.462	1.505	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(CC#N)C[C@H]2c2ccccc2)CC1	ZINC001086625279	938511823	/nfs/dbraw/zinc/51/18/23/938511823.db2.gz	RSXNALRJPOFDPE-VQTJNVASSA-N	1	0	350.466	1.439	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1n1ccnn1	ZINC001129778313	938513966	/nfs/dbraw/zinc/51/39/66/938513966.db2.gz	TXVYQOJASGRQLY-MSOLQXFVSA-N	1	0	367.457	1.880	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H]([NH2+]CCCc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129822551	938522146	/nfs/dbraw/zinc/52/21/46/938522146.db2.gz	WZXWQFRZNYRCMJ-UXHICEINSA-N	1	0	365.481	1.912	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)nn2)C[C@@H]1n1ccnn1	ZINC001129822277	938522273	/nfs/dbraw/zinc/52/22/73/938522273.db2.gz	OAEAHOVJRGCUTG-MSOLQXFVSA-N	1	0	369.473	1.778	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CCCC2CCC2)[C@@H](n2ccnn2)C1	ZINC001129829887	938523893	/nfs/dbraw/zinc/52/38/93/938523893.db2.gz	OOJIUBYFKWHOOU-JQHSSLGASA-N	1	0	359.474	1.238	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)Cc2cccc(F)c2)C[C@@H]1n1ccnn1	ZINC001129849953	938527037	/nfs/dbraw/zinc/52/70/37/938527037.db2.gz	FDZVLJSEYZMSFW-IPELMVKDSA-N	1	0	369.444	1.661	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2Cc3ccccc3O2)C[C@@H]1n1ccnn1	ZINC001129863781	938531716	/nfs/dbraw/zinc/53/17/16/938531716.db2.gz	JMTRGFCVJMNSCB-KURKYZTESA-N	1	0	365.437	1.037	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCC(F)(F)C2)[C@@H](n2ccnn2)C1	ZINC001129834283	938533499	/nfs/dbraw/zinc/53/34/99/938533499.db2.gz	SZMGRLIRUCDWIA-OAGGEKHMSA-N	1	0	365.428	1.859	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H]([NH2+]CC2CC(C)(C)C2)[C@@H](n2ccnn2)C1	ZINC001129838031	938535029	/nfs/dbraw/zinc/53/50/29/938535029.db2.gz	PKTIFDSJSRBUKZ-SJORKVTESA-N	1	0	359.474	1.096	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H]([NH2+]CCCCCC=C)[C@@H](n2ccnn2)C1	ZINC001129838343	938535232	/nfs/dbraw/zinc/53/52/32/938535232.db2.gz	VOVIICLAIQZWKK-MSOLQXFVSA-N	1	0	359.474	1.406	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H]([NH2+]CC=C(C)C)[C@@H](n2ccnn2)C1)OCC	ZINC001129878718	938536025	/nfs/dbraw/zinc/53/60/25/938536025.db2.gz	BECUZKUVQMXCHM-FGTMMUONSA-N	1	0	361.490	1.957	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(OCCC)c2)C[C@@H]1n1ccnn1	ZINC001129879063	938536520	/nfs/dbraw/zinc/53/65/20/938536520.db2.gz	PPELYUFLAFZOQN-MOPGFXCFSA-N	1	0	367.453	1.746	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)n(C)n2)C[C@@H]1n1ccnn1	ZINC001129887965	938540666	/nfs/dbraw/zinc/54/06/66/938540666.db2.gz	ZGJYHABIRAIYIP-WBVHZDCISA-N	1	0	355.446	1.120	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CC2(C(F)(F)F)CC2)C[C@@H]1n1ccnn1	ZINC001129890615	938541618	/nfs/dbraw/zinc/54/16/18/938541618.db2.gz	QVXAWADEBNMOMC-OLZOCXBDSA-N	1	0	357.380	1.928	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C(F)F)nc2)C[C@@H]1n1ccnn1	ZINC001129891964	938542315	/nfs/dbraw/zinc/54/23/15/938542315.db2.gz	AOKNYKKEPITYFE-CABCVRRESA-N	1	0	362.384	1.842	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3nccn32)C[C@@H]1n1ccnn1	ZINC001129892176	938542865	/nfs/dbraw/zinc/54/28/65/938542865.db2.gz	LKJSHIIZTGPTID-IKGGRYGDSA-N	1	0	369.473	1.360	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]([NH2+]CCOCC)[C@@H](n2ccnn2)C1	ZINC001129866990	938543842	/nfs/dbraw/zinc/54/38/42/938543842.db2.gz	MADWGVMHDPQKIO-KGLIPLIRSA-N	1	0	355.870	1.435	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2ccccc2F)C[C@@H]1n1ccnn1	ZINC001129866972	938543903	/nfs/dbraw/zinc/54/39/03/938543903.db2.gz	LMMJFFAFTICRHG-UAGQMJEPSA-N	1	0	371.416	1.250	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H]([NH2+]C[C@H]2CCOC2)[C@@H](n2ccnn2)C1	ZINC001129867220	938543925	/nfs/dbraw/zinc/54/39/25/938543925.db2.gz	PJMLYCXLKCGMID-NXHRZFHOSA-N	1	0	359.474	1.425	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2F)C[C@@H]1n1ccnn1	ZINC001129866971	938543933	/nfs/dbraw/zinc/54/39/33/938543933.db2.gz	LMMJFFAFTICRHG-OIISXLGYSA-N	1	0	371.416	1.250	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccnn2CCC)C[C@@H]1n1ccnn1	ZINC001129871893	938545067	/nfs/dbraw/zinc/54/50/67/938545067.db2.gz	PBQCIVOLYNYCSQ-JZXOWHBKSA-N	1	0	371.489	1.895	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1	ZINC001129873315	938545399	/nfs/dbraw/zinc/54/53/99/938545399.db2.gz	ZCNYPXKRCWWIEH-MOPGFXCFSA-N	1	0	371.481	1.591	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cc(C)ccn2)C[C@@H]1n1ccnn1	ZINC001129912542	938551599	/nfs/dbraw/zinc/55/15/99/938551599.db2.gz	NOHLUGIOZFUXOJ-SJORKVTESA-N	1	0	368.485	1.877	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CC2CC(F)(F)C2)C[C@@H]1n1ccnn1	ZINC001129914728	938552579	/nfs/dbraw/zinc/55/25/79/938552579.db2.gz	FEMSDYVWOATNNG-CABCVRRESA-N	1	0	369.416	1.258	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cncc(OC)c2C)C[C@@H]1n1ccnn1	ZINC001129914679	938552584	/nfs/dbraw/zinc/55/25/84/938552584.db2.gz	CCDOXIVFMNNLET-SJORKVTESA-N	1	0	370.457	1.612	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3ccnc3C2)C[C@@H]1n1ccnn1	ZINC001129916904	938553814	/nfs/dbraw/zinc/55/38/14/938553814.db2.gz	HGDTUYCQPNGDSQ-ZACQAIPSSA-N	1	0	369.473	1.045	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H]([NH2+]C[C@H]3CCCOC3)[C@@H](n3ccnn3)C2)CCC1	ZINC001129894350	938555528	/nfs/dbraw/zinc/55/55/28/938555528.db2.gz	BXPTUAREDXMUDY-KURKYZTESA-N	1	0	371.485	1.240	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H]([NH2+]CC[C@@H]3CCCO3)[C@@H](n3ccnn3)C2)CCC1	ZINC001129894836	938556138	/nfs/dbraw/zinc/55/61/38/938556138.db2.gz	UXOFPBHRIUZJGF-KSZLIROESA-N	1	0	371.485	1.382	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3oc(=O)[nH]c3c2)C[C@@H]1n1ccnn1	ZINC001129899830	938559440	/nfs/dbraw/zinc/55/94/40/938559440.db2.gz	NVGDSWYRNHSUIQ-CABCVRRESA-N	1	0	368.397	1.356	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)C2CC(OC)C2)C[C@@H]1n1ccnn1	ZINC001129902295	938560839	/nfs/dbraw/zinc/56/08/39/938560839.db2.gz	CQWNHDICRPIYHW-HIEASXQVSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2c(C)ncn2C)C[C@@H]1n1ccnn1	ZINC001129902580	938561621	/nfs/dbraw/zinc/56/16/21/938561621.db2.gz	TXEGOTVCJUZAEP-BMFZPTHFSA-N	1	0	357.462	1.330	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cncn2C)C[C@@H]1n1ccnn1	ZINC001129924560	938570226	/nfs/dbraw/zinc/57/02/26/938570226.db2.gz	BHIFHCZPMRUEMK-WBVHZDCISA-N	1	0	357.462	1.413	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(=O)oc2C)C[C@@H]1n1ccnn1	ZINC001129926733	938571206	/nfs/dbraw/zinc/57/12/06/938571206.db2.gz	CVXUSDFSAQQJTQ-CABCVRRESA-N	1	0	357.414	1.080	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)c(OC)c2)C[C@@H]1n1ccnn1	ZINC001129928781	938572173	/nfs/dbraw/zinc/57/21/73/938572173.db2.gz	LVBDITBQIOCUSP-SJORKVTESA-N	1	0	355.442	1.827	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(CCC)n[nH]2)C[C@@H]1n1ccnn1	ZINC001129954643	938576561	/nfs/dbraw/zinc/57/65/61/938576561.db2.gz	XVHFFBUSINJYSQ-SJORKVTESA-N	1	0	357.462	1.575	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ncc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001129945073	938580410	/nfs/dbraw/zinc/58/04/10/938580410.db2.gz	BENOGGKJRRXXJU-SJORKVTESA-N	1	0	354.458	1.911	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H]([NH2+]CC=C(C)C)[C@@H](n2ccnn2)C1	ZINC001129945109	938580411	/nfs/dbraw/zinc/58/04/11/938580411.db2.gz	CWBVWAJNOINPCX-AOIWGVFYSA-N	1	0	361.490	1.815	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CN(C(=O)CCCF)C[C@@H]2n2ccnn2)c1	ZINC001129969552	938586961	/nfs/dbraw/zinc/58/69/61/938586961.db2.gz	ZAOWYYMLJYZXAH-SJORKVTESA-N	1	0	356.405	1.441	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCCO2)[C@@H](n2ccnn2)C1	ZINC001129972591	938591306	/nfs/dbraw/zinc/59/13/06/938591306.db2.gz	CXQRDCIWXKCZNP-KSZLIROESA-N	1	0	359.474	1.382	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H]([NH2+]Cc2cnn(C)c2)[C@@H](n2ccnn2)C1	ZINC001129978239	938594042	/nfs/dbraw/zinc/59/40/42/938594042.db2.gz	WWHQYDPKMCAMDU-UAGQMJEPSA-N	1	0	357.462	1.156	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2c(C)cc(C)[nH]c2=O)C[C@@H]1n1ccnn1	ZINC001129980866	938596020	/nfs/dbraw/zinc/59/60/20/938596020.db2.gz	YFWBUYXRNLIIBG-SJORKVTESA-N	1	0	370.457	1.156	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(F)c(F)c2)C[C@@H]1n1ccnn1	ZINC001129983161	938597865	/nfs/dbraw/zinc/59/78/65/938597865.db2.gz	PTMKRAORXOZQOL-SJORKVTESA-N	1	0	361.396	1.717	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(CCC)cc2)C[C@@H]1n1ccnn1	ZINC001129983332	938598495	/nfs/dbraw/zinc/59/84/95/938598495.db2.gz	XQFZNZHGXBLEFJ-MOPGFXCFSA-N	1	0	351.454	1.909	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]([NH2+]Cc2ccnc(OC)c2)[C@@H](n2ccnn2)C1	ZINC001129986995	938610243	/nfs/dbraw/zinc/61/02/43/938610243.db2.gz	UBWUDTQHXSLJHH-SJORKVTESA-N	1	0	370.457	1.580	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]([NH2+]Cc2cncc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129987122	938610336	/nfs/dbraw/zinc/61/03/36/938610336.db2.gz	ZGECHFRBINQGFD-MSOLQXFVSA-N	1	0	354.458	1.880	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCc3cn(C(C)C)nc32)CC1	ZINC000804892030	938610670	/nfs/dbraw/zinc/61/06/70/938610670.db2.gz	VIKFGUGOZFYBQF-QGZVFWFLSA-N	1	0	373.501	1.724	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)cc2F)C[C@@H]1n1ccnn1	ZINC001130022761	938620593	/nfs/dbraw/zinc/62/05/93/938620593.db2.gz	KITBKVVOOUTHEC-MSOLQXFVSA-N	1	0	371.416	1.031	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H]([NH2+]CCOC2CCC2)[C@@H](n2ccnn2)C1	ZINC001130022716	938620595	/nfs/dbraw/zinc/62/05/95/938620595.db2.gz	JODIMLNTMPGQSZ-SJORKVTESA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccn(C)c2CC)C[C@@H]1n1ccnn1	ZINC001130005987	938623428	/nfs/dbraw/zinc/62/34/28/938623428.db2.gz	NYWRNXNXCKGRME-AEFFLSMTSA-N	1	0	356.474	1.801	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc[nH]c2C2CCC2)C[C@@H]1n1ccnn1	ZINC001130006031	938623443	/nfs/dbraw/zinc/62/34/43/938623443.db2.gz	PYXLQENWOADBMF-SJORKVTESA-N	1	0	352.442	1.552	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(C)C)nc2C)C[C@@H]1n1ccnn1	ZINC001130007644	938625226	/nfs/dbraw/zinc/62/52/26/938625226.db2.gz	OQVGWDASRVQIGK-MOPGFXCFSA-N	1	0	366.469	1.784	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2c(C)noc2C)C[C@@H]1n1ccnn1	ZINC001130040621	938626988	/nfs/dbraw/zinc/62/69/88/938626988.db2.gz	DGEJWQKXVCHGHX-MAZHCROVSA-N	1	0	356.430	1.051	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2c(C)noc2C)C[C@@H]1n1ccnn1	ZINC001130040985	938627446	/nfs/dbraw/zinc/62/74/46/938627446.db2.gz	WODCALKZJIPPPH-WQVCFCJDSA-N	1	0	358.446	1.604	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCCc2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001130024564	938628511	/nfs/dbraw/zinc/62/85/11/938628511.db2.gz	WUKCOCPCIVCUEG-MOPGFXCFSA-N	1	0	369.444	1.805	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCCn2nc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001130026406	938629474	/nfs/dbraw/zinc/62/94/74/938629474.db2.gz	OTXBXWIWVJPZFX-MSOLQXFVSA-N	1	0	371.489	1.489	20	30		FDEDRO
C#CCCCS(=O)(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1	ZINC000804962456	938631319	/nfs/dbraw/zinc/63/13/19/938631319.db2.gz	ALCSDJUKTLISSW-UHFFFAOYSA-N	1	0	371.547	1.146	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2c(C)n[nH]c2C)C[C@@H]1n1ccnn1	ZINC001130043858	938642651	/nfs/dbraw/zinc/64/26/51/938642651.db2.gz	DEFUEZDLGWAWQO-XYPHTWIQSA-N	1	0	371.489	1.729	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cncc(Cl)c2)C[C@@H]1n1ccnn1	ZINC001130044080	938643267	/nfs/dbraw/zinc/64/32/67/938643267.db2.gz	PAKQBTJQQNSLGH-CVEARBPZSA-N	1	0	360.849	1.948	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCCc2cccnc2)C[C@@H]1n1ccnn1	ZINC001130065355	938653013	/nfs/dbraw/zinc/65/30/13/938653013.db2.gz	HVAAEGYCIVUERZ-MSOLQXFVSA-N	1	0	354.458	1.614	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)oc2C)C[C@@H]1n1ccnn1	ZINC001130065856	938653646	/nfs/dbraw/zinc/65/36/46/938653646.db2.gz	VDCSJZFTGLFJSY-SJORKVTESA-N	1	0	355.442	1.982	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc3c([nH]2)CCC3)C[C@@H]1n1ccnn1	ZINC001130081383	938662507	/nfs/dbraw/zinc/66/25/07/938662507.db2.gz	LUDKGBHKYWCWAL-MSOLQXFVSA-N	1	0	354.458	1.716	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H]([NH2+]CCCC)[C@@H](n2ccnn2)C1	ZINC001130083830	938665308	/nfs/dbraw/zinc/66/53/08/938665308.db2.gz	LXDRMFCFEZJWSH-CVEARBPZSA-N	1	0	370.457	1.693	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3n[nH]cc3C2)C[C@@H]1n1ccnn1	ZINC001130084032	938665608	/nfs/dbraw/zinc/66/56/08/938665608.db2.gz	VUYYDNJLNIMVTQ-OLMNPRSZSA-N	1	0	369.473	1.114	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2coc(C3CCC3)n2)C[C@@H]1n1ccnn1	ZINC001130077322	938670295	/nfs/dbraw/zinc/67/02/95/938670295.db2.gz	CKQGPDSAGQODSA-ZBFHGGJFSA-N	1	0	354.414	1.212	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCOc2ccccc2CC)C[C@@H]1n1ccnn1	ZINC001130079338	938672478	/nfs/dbraw/zinc/67/24/78/938672478.db2.gz	FUGPZRGBHPAXAT-MSOLQXFVSA-N	1	0	369.469	1.837	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]CCCC(C)C)[C@@H](n3ccnn3)C2)cn1	ZINC001130091464	938676720	/nfs/dbraw/zinc/67/67/20/938676720.db2.gz	VJNJBEMHBHQQEF-MOPGFXCFSA-N	1	0	366.469	1.746	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001130102371	938684531	/nfs/dbraw/zinc/68/45/31/938684531.db2.gz	VKJLTAKSJWURGB-MSOLQXFVSA-N	1	0	355.442	1.444	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130111335	938690298	/nfs/dbraw/zinc/69/02/98/938690298.db2.gz	DHCGFHWVZWJFGU-JQHSSLGASA-N	1	0	355.442	1.663	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2cccc(OC)c2)C[C@@H]1n1ccnn1	ZINC001130112184	938690822	/nfs/dbraw/zinc/69/08/22/938690822.db2.gz	QBWRKXTVKMQONW-MOPGFXCFSA-N	1	0	369.469	1.837	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2COc3ccccc3O2)C[C@@H]1n1ccnn1	ZINC001130112256	938690858	/nfs/dbraw/zinc/69/08/58/938690858.db2.gz	TVTHCOZMMZRJRI-RVKKMQEKSA-N	1	0	369.425	1.036	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](OC)C2CCCC2)C[C@@H]1n1ccnn1	ZINC001130112423	938691069	/nfs/dbraw/zinc/69/10/69/938691069.db2.gz	YUGMILCVCAHALR-FGTMMUONSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COc2ccccc2CC)C[C@@H]1n1ccnn1	ZINC001130112562	938692366	/nfs/dbraw/zinc/69/23/66/938692366.db2.gz	GMBYTFJTQMNMEQ-MSOLQXFVSA-N	1	0	369.469	1.837	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130112666	938692380	/nfs/dbraw/zinc/69/23/80/938692380.db2.gz	LFSZNGGOUZHUPT-UHOSZYNNSA-N	1	0	351.454	1.837	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c(C)onc2CC)C[C@@H]1n1ccnn1	ZINC001130121701	938704389	/nfs/dbraw/zinc/70/43/89/938704389.db2.gz	ZNQPZQFPLQREAG-CVEARBPZSA-N	1	0	358.446	1.758	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COc2ccc(C)c(C)c2)C[C@@H]1n1ccnn1	ZINC001130122902	938705032	/nfs/dbraw/zinc/70/50/32/938705032.db2.gz	ATQMCCSSQLZWKE-MOPGFXCFSA-N	1	0	367.453	1.339	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3cccc(F)c3O2)C[C@@H]1n1ccnn1	ZINC001130132755	938707686	/nfs/dbraw/zinc/70/76/86/938707686.db2.gz	NTUZLHVAEHOMFX-IXDOHACOSA-N	1	0	371.416	1.339	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3cccc(F)c3o2)C[C@@H]1n1ccnn1	ZINC001130132662	938707814	/nfs/dbraw/zinc/70/78/14/938707814.db2.gz	KCBFPMFEVAMIIQ-CVEARBPZSA-N	1	0	367.384	1.842	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CC2CCCCC2)[C@@H](n2ccnn2)C1	ZINC001130151624	938716329	/nfs/dbraw/zinc/71/63/29/938716329.db2.gz	ZZCJJOIEVCSWJS-JQHSSLGASA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc(C(C)(C)C)nc2)C[C@@H]1n1ccnn1	ZINC001130158268	938719677	/nfs/dbraw/zinc/71/96/77/938719677.db2.gz	AVOYYHVNQZRHGB-CVEARBPZSA-N	1	0	369.473	1.597	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccccc2C)n1	ZINC001130177592	938725021	/nfs/dbraw/zinc/72/50/21/938725021.db2.gz	JHPUGEYMMGMJAH-IRXDYDNUSA-N	1	0	367.453	1.529	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCOCC)[nH]1	ZINC001130187685	938733716	/nfs/dbraw/zinc/73/37/16/938733716.db2.gz	DDCIGPPFQMDLMZ-GJZGRUSLSA-N	1	0	365.478	1.276	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCC2CC2)n1	ZINC001130195993	938739195	/nfs/dbraw/zinc/73/91/95/938739195.db2.gz	MYSVDTLDJDDCHB-KBPBESRZSA-N	1	0	367.881	1.826	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cocn2)[nH]1	ZINC001130196109	938739452	/nfs/dbraw/zinc/73/94/52/938739452.db2.gz	SFLUJMYESIJJQA-JSGCOSHPSA-N	1	0	360.418	1.151	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C)oc2C)n1	ZINC001130182946	938741868	/nfs/dbraw/zinc/74/18/68/938741868.db2.gz	HYWDBRSYJGRENN-HOCLYGCPSA-N	1	0	371.441	1.430	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCC(C)=O)[nH]1	ZINC001130183057	938742501	/nfs/dbraw/zinc/74/25/01/938742501.db2.gz	NQJRTMZZHHOLRH-GJZGRUSLSA-N	1	0	363.462	1.218	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)SC)[nH]1	ZINC001130184795	938743799	/nfs/dbraw/zinc/74/37/99/938743799.db2.gz	GMFGYLSHEZJMOJ-RDBSUJKOSA-N	1	0	367.519	1.601	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCOC(C)C)[nH]1	ZINC001130184930	938744091	/nfs/dbraw/zinc/74/40/91/938744091.db2.gz	NBFHCPJKCPMYKJ-GJZGRUSLSA-N	1	0	365.478	1.274	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]Cc2ccccc2)[nH]1	ZINC001130203268	938744854	/nfs/dbraw/zinc/74/48/54/938744854.db2.gz	WEPULTNMSPJIEN-BPUTZDHNSA-N	1	0	368.441	1.243	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C#CC(C)(C)C)[nH]1	ZINC001130207646	938746667	/nfs/dbraw/zinc/74/66/67/938746667.db2.gz	KGXBOIWJCYRKTN-GJZGRUSLSA-N	1	0	359.474	1.509	20	30		FDEDRO
C#CCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC(=C)Cl)n[nH]1	ZINC001130207995	938747216	/nfs/dbraw/zinc/74/72/16/938747216.db2.gz	ZWLXFLKZCNGOPP-KBPBESRZSA-N	1	0	365.865	1.439	20	30		FDEDRO
C#CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC[C@H](C)F)[nH]1	ZINC001130209714	938747963	/nfs/dbraw/zinc/74/79/63/938747963.db2.gz	LMVMJXADOXQZLI-KKUMJFAQSA-N	1	0	365.453	1.435	20	30		FDEDRO
C#CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCC2CC2)[nH]1	ZINC001130210230	938748014	/nfs/dbraw/zinc/74/80/14/938748014.db2.gz	ZVJKVKYKFZGGPF-HOTGVXAUSA-N	1	0	359.474	1.487	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2[nH]ccc2C2CC2)[nH]1	ZINC001130216112	938752262	/nfs/dbraw/zinc/75/22/62/938752262.db2.gz	MTPFQLQQRRRIKB-GJZGRUSLSA-N	1	0	370.457	1.588	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](CC)CC(F)F)n1	ZINC001130216000	938752315	/nfs/dbraw/zinc/75/23/15/938752315.db2.gz	LYPJTTJBVZHCPQ-AGIUHOORSA-N	1	0	369.416	1.198	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC)[nH]1	ZINC001130216379	938752802	/nfs/dbraw/zinc/75/28/02/938752802.db2.gz	VQRDBBRPMGPNDU-RYUDHWBXSA-N	1	0	355.870	1.682	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccns2)[nH]1	ZINC001130216473	938753065	/nfs/dbraw/zinc/75/30/65/938753065.db2.gz	YHDFKPLATYKPSU-RYUDHWBXSA-N	1	0	362.459	1.229	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)COC)[nH]1	ZINC001130202619	938755023	/nfs/dbraw/zinc/75/50/23/938755023.db2.gz	FQNGADJKNRWDEB-KKUMJFAQSA-N	1	0	365.478	1.132	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2[nH]c(C)cc2C)n1	ZINC001130223467	938757500	/nfs/dbraw/zinc/75/75/00/938757500.db2.gz	VQUGVJZAVRKBBB-GJZGRUSLSA-N	1	0	370.457	1.165	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C)[nH]c2C)n1	ZINC001130240055	938758583	/nfs/dbraw/zinc/75/85/83/938758583.db2.gz	GKDHSJJWMYYGHX-HOCLYGCPSA-N	1	0	370.457	1.165	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)n1	ZINC001130224853	938759005	/nfs/dbraw/zinc/75/90/05/938759005.db2.gz	FRAVPBSPAXEZDX-MRNSRZSKSA-N	1	0	371.485	1.343	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cnco2)[nH]1	ZINC001130225043	938759229	/nfs/dbraw/zinc/75/92/29/938759229.db2.gz	PJEFHNKGKWZQHD-STQMWFEESA-N	1	0	360.418	1.151	20	30		FDEDRO
C=CC(C)(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCOCC)[nH]1	ZINC001130227529	938761256	/nfs/dbraw/zinc/76/12/56/938761256.db2.gz	CIGRHZSEXMQYBT-KBPBESRZSA-N	1	0	365.478	1.132	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](F)C(C)C)[nH]1	ZINC001130227788	938761936	/nfs/dbraw/zinc/76/19/36/938761936.db2.gz	PCKIBBRLNXEPNG-KCQAQPDRSA-N	1	0	353.442	1.453	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H]2CC=CCC2)[nH]1	ZINC001130229775	938763292	/nfs/dbraw/zinc/76/32/92/938763292.db2.gz	FKKHTIYUHNMFCF-IKGGRYGDSA-N	1	0	371.485	1.653	20	30		FDEDRO
CC#CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)[nH]1	ZINC001130229786	938763306	/nfs/dbraw/zinc/76/33/06/938763306.db2.gz	GBKJMQFYWWRCGQ-HOTGVXAUSA-N	1	0	359.474	1.487	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(CCCC)CC2)n1	ZINC001130234636	938766005	/nfs/dbraw/zinc/76/60/05/938766005.db2.gz	FPZYKLJGJAQSDG-GJZGRUSLSA-N	1	0	359.474	1.487	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2Cc3ccccc32)[nH]1	ZINC001130237715	938767179	/nfs/dbraw/zinc/76/71/79/938767179.db2.gz	BBFBVGGINIIBDS-ULQDDVLXSA-N	1	0	367.453	1.409	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2occc2CC)[nH]1	ZINC001130242187	938769655	/nfs/dbraw/zinc/76/96/55/938769655.db2.gz	KZHUXFSMJLPUAO-GJZGRUSLSA-N	1	0	371.441	1.376	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(CC)CC2)n1	ZINC001130242458	938769966	/nfs/dbraw/zinc/76/99/66/938769966.db2.gz	XXYOGZORNWLADZ-STQMWFEESA-N	1	0	367.881	1.826	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2c[nH]cc2C2CC2)n1	ZINC001130244654	938770636	/nfs/dbraw/zinc/77/06/36/938770636.db2.gz	MZZVCTPFBNBOFX-BBRMVZONSA-N	1	0	368.441	1.036	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(F)cc2C)n1	ZINC001130247231	938772382	/nfs/dbraw/zinc/77/23/82/938772382.db2.gz	ZLHMVCGDYHIBFV-HOTGVXAUSA-N	1	0	371.416	1.278	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COC2CCCC2)CC1	ZINC001130274258	938786447	/nfs/dbraw/zinc/78/64/47/938786447.db2.gz	DNRGNWURJUPPKZ-XLIONFOSSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COC(C)C)CC1	ZINC001130276661	938787494	/nfs/dbraw/zinc/78/74/94/938787494.db2.gz	JZGDNKJSQFYSMD-APWZRJJASA-N	1	0	351.491	1.463	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)OCC(C)C)CC1	ZINC001130277031	938788266	/nfs/dbraw/zinc/78/82/66/938788266.db2.gz	ZFDNPDMWWYPHQP-WDYCEAGBSA-N	1	0	363.502	1.156	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCCCOC)CC1	ZINC001130286083	938790928	/nfs/dbraw/zinc/79/09/28/938790928.db2.gz	WYKHBRWUWDKBLG-XLIONFOSSA-N	1	0	363.502	1.302	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2(C(F)F)CC2)CC1	ZINC001130288883	938793889	/nfs/dbraw/zinc/79/38/89/938793889.db2.gz	YXFDYVOUFQKXSK-ZBFHGGJFSA-N	1	0	367.440	1.530	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@@H](C)O)CC1	ZINC001130290939	938795642	/nfs/dbraw/zinc/79/56/42/938795642.db2.gz	QWRRNZGADBSDHR-OGWOLHLISA-N	1	0	351.491	1.199	20	30		FDEDRO
CC(C)=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C#CC2CC2)CC1	ZINC001130290970	938795717	/nfs/dbraw/zinc/79/57/17/938795717.db2.gz	SESURQLMPGRMJJ-NQIIRXRSSA-N	1	0	357.498	1.841	20	30		FDEDRO
C=C(C)CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C#CC2CC2)CC1	ZINC001130291038	938795745	/nfs/dbraw/zinc/79/57/45/938795745.db2.gz	VHXRNDPJXDTHJC-NQIIRXRSSA-N	1	0	357.498	1.841	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](OCC)C(C)C)CC1	ZINC001130291163	938795886	/nfs/dbraw/zinc/79/58/86/938795886.db2.gz	ZNQVWZNLXRRLMO-NEWSRXKRSA-N	1	0	365.518	1.709	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC(C)(F)F)CC1	ZINC001130301855	938800070	/nfs/dbraw/zinc/80/00/70/938800070.db2.gz	IFOAUIGJVMMAOD-PBHICJAKSA-N	1	0	355.429	1.530	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC(C)(F)F)CC1	ZINC001130302377	938800874	/nfs/dbraw/zinc/80/08/74/938800874.db2.gz	XETYJYFUZRVTSK-PBHICJAKSA-N	1	0	355.429	1.530	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCn2cccc2)CC1	ZINC001130305274	938803620	/nfs/dbraw/zinc/80/36/20/938803620.db2.gz	QTAHZJPCKAZMBB-NQIIRXRSSA-N	1	0	370.497	1.377	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)CCOC)CC1	ZINC001130306851	938804434	/nfs/dbraw/zinc/80/44/34/938804434.db2.gz	AQMHPOUDNXMBOC-WDYCEAGBSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cc(C)on2)C[C@H]1c1cn(C)cn1	ZINC001130493727	938873326	/nfs/dbraw/zinc/87/33/26/938873326.db2.gz	MFZXFCUIJDBTNP-WMLDXEAASA-N	1	0	359.430	1.117	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130525174	938891610	/nfs/dbraw/zinc/89/16/10/938891610.db2.gz	ZCLSEJIGUPHXRI-HHXXYDBFSA-N	1	0	370.501	1.635	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cncs2)C[C@H]1c1cn(C)cn1	ZINC001130510975	938891941	/nfs/dbraw/zinc/89/19/41/938891941.db2.gz	VELPIYQJNYNBBA-DZGCQCFKSA-N	1	0	361.471	1.277	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(C)n(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130516503	938893734	/nfs/dbraw/zinc/89/37/34/938893734.db2.gz	HYFXOQFBKJRWSE-MAUKXSAKSA-N	1	0	356.474	1.626	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1c1cn(C)cn1	ZINC001130522599	938897819	/nfs/dbraw/zinc/89/78/19/938897819.db2.gz	PWGHZCAZJRHQIV-HLLBOEOZSA-N	1	0	356.474	1.706	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccc(F)cn2)C1	ZINC001130578471	939891003	/nfs/dbraw/zinc/89/10/03/939891003.db2.gz	OLYLLUBASNWCHB-PKOBYXMFSA-N	1	0	369.444	1.842	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOC2CCC2)C1	ZINC001130578506	939891033	/nfs/dbraw/zinc/89/10/33/939891033.db2.gz	PRPOUQHLSIFHPA-PKOBYXMFSA-N	1	0	358.486	1.677	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnnn2CC)C[C@H]1c1cn(C)cn1	ZINC001130578681	939891464	/nfs/dbraw/zinc/89/14/64/939891464.db2.gz	YOUDDOLGEIWDQM-GOEBONIOSA-N	1	0	357.462	1.196	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C(C)=C2CCC2)C[C@H]1c1cn(C)cn1	ZINC001130580413	939892933	/nfs/dbraw/zinc/89/29/33/939892933.db2.gz	DTYGKXAMJKRZPA-PKOBYXMFSA-N	1	0	356.470	1.454	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H](OCC)C2=CCCC2)C[C@H]1c1cn(C)cn1	ZINC001130590164	939896138	/nfs/dbraw/zinc/89/61/38/939896138.db2.gz	CAWIHUGRAQLMGT-SXLOBPIMSA-N	1	0	370.497	1.843	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn3ccncc23)C[C@H]1c1cn(C)cn1	ZINC001130608152	939905788	/nfs/dbraw/zinc/90/57/88/939905788.db2.gz	ZRFXTIFEDIIPLL-DOTOQJQBSA-N	1	0	365.441	1.237	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3nccn32)C[C@H]1c1cn(C)cn1	ZINC001130608145	939905805	/nfs/dbraw/zinc/90/58/05/939905805.db2.gz	ZHGGXNDTMQIDKD-JQHSSLGASA-N	1	0	366.469	1.102	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCCOC)C2)CCC1	ZINC001130609968	939907566	/nfs/dbraw/zinc/90/75/66/939907566.db2.gz	DNHMVQAQPXMSFW-FUHWJXTLSA-N	1	0	358.486	1.534	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2cncs2)C[C@H]1c1cn(C)cn1	ZINC001130611877	939909631	/nfs/dbraw/zinc/90/96/31/939909631.db2.gz	JHQGVZIHIYKOON-DOTOQJQBSA-N	1	0	359.499	1.970	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1c1cn(C)cn1	ZINC001130614921	939912287	/nfs/dbraw/zinc/91/22/87/939912287.db2.gz	HPUGOVLFINWQFB-JLJPHGGASA-N	1	0	370.457	1.468	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2[nH]ccc2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130604735	939916198	/nfs/dbraw/zinc/91/61/98/939916198.db2.gz	LHEROSRBIJISRV-FUHWJXTLSA-N	1	0	351.454	1.847	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OCC)nc2)C[C@H]1c1cn(C)cn1	ZINC001130604825	939916350	/nfs/dbraw/zinc/91/63/50/939916350.db2.gz	PSUBGKSDBFGFSA-FUHWJXTLSA-N	1	0	367.453	1.435	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(F)ccc2F)C[C@H]1c1cn(C)cn1	ZINC001130607935	939920022	/nfs/dbraw/zinc/92/00/22/939920022.db2.gz	SFJZLECZHLVMLB-MAUKXSAKSA-N	1	0	358.392	1.919	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccn3nccc23)C[C@H]1c1cn(C)cn1	ZINC001130622140	939920871	/nfs/dbraw/zinc/92/08/71/939920871.db2.gz	SGJCMXOKPIXPFL-FUHWJXTLSA-N	1	0	364.453	1.842	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC(C)(C)CO2)C[C@H]1c1cn(C)cn1	ZINC001130623489	939921564	/nfs/dbraw/zinc/92/15/64/939921564.db2.gz	ARIRJLSHKMRJMY-XYJFISCASA-N	1	0	358.486	1.533	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc(C(N)=O)c2)C[C@H]1c1cn(C)cn1	ZINC001130617225	939928567	/nfs/dbraw/zinc/92/85/67/939928567.db2.gz	UWMJMKZSVXAIFF-FUHWJXTLSA-N	1	0	367.453	1.293	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccncc2CC)C[C@H]1c1cn(C)cn1	ZINC001130619339	939930099	/nfs/dbraw/zinc/93/00/99/939930099.db2.gz	NGJSMWGQHOHHKB-PKOBYXMFSA-N	1	0	351.454	1.599	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn(CCF)c2)C[C@H]1c1cn(C)cn1	ZINC001130619312	939930113	/nfs/dbraw/zinc/93/01/13/939930113.db2.gz	LQYZTAASWPKKFP-DOTOQJQBSA-N	1	0	360.437	1.360	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3nccn3C2)C[C@H]1c1cn(C)cn1	ZINC001130619284	939930166	/nfs/dbraw/zinc/93/01/66/939930166.db2.gz	KBISUINHBRDZBB-SOLBZPMBSA-N	1	0	368.485	1.339	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(CC)nnc2C)C[C@H]1c1cn(C)cn1	ZINC001130632646	939935986	/nfs/dbraw/zinc/93/59/86/939935986.db2.gz	LBRAOULSRRTYLT-PKOBYXMFSA-N	1	0	368.485	1.855	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc[nH]c2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130654574	939948477	/nfs/dbraw/zinc/94/84/77/939948477.db2.gz	NANCNNADMWQPFX-FUHWJXTLSA-N	1	0	351.454	1.847	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccn(C)c2C)C[C@H]1c1cn(C)cn1	ZINC001130667281	939967426	/nfs/dbraw/zinc/96/74/26/939967426.db2.gz	RYQKFOZXSOXQQT-PKOBYXMFSA-N	1	0	371.485	1.467	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCF)C1	ZINC001130680462	939968809	/nfs/dbraw/zinc/96/88/09/939968809.db2.gz	RLTZYQPCLMXBSO-WTTBNOFXSA-N	1	0	350.438	1.255	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc3cccnn32)C[C@H]1c1cn(C)cn1	ZINC001130687889	939977861	/nfs/dbraw/zinc/97/78/61/939977861.db2.gz	VTPQSOOTWPVPDY-GOEBONIOSA-N	1	0	365.441	1.237	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(C)nc(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130692572	939981356	/nfs/dbraw/zinc/98/13/56/939981356.db2.gz	RIUUTVAPNOCGMY-QFBILLFUSA-N	1	0	368.485	1.991	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2coc(COC)n2)C[C@H]1c1cn(C)cn1	ZINC001130704458	939985080	/nfs/dbraw/zinc/98/50/80/939985080.db2.gz	PHBGACOKEAIHBF-DZGCQCFKSA-N	1	0	359.430	1.328	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)nn2C)C[C@H]1c1cn(C)cn1	ZINC001130706852	939988708	/nfs/dbraw/zinc/98/87/08/939988708.db2.gz	XBXLWIVFEBBKSO-MAUKXSAKSA-N	1	0	368.485	1.498	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2c(C)noc2C)C[C@H]1c1cn(C)cn1	ZINC001130695110	939989784	/nfs/dbraw/zinc/98/97/84/939989784.db2.gz	DZOQQEKXEAAAEO-RPVQJOFSSA-N	1	0	369.469	1.736	20	30		FDEDRO
CCCCCC[N@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCC#N)C1	ZINC001130699015	939993299	/nfs/dbraw/zinc/99/32/99/939993299.db2.gz	ZKGFUKRKEQLQBN-FUHWJXTLSA-N	1	0	360.506	1.340	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ncoc2C(C)(C)C)C[C@H]1c1cn(C)cn1	ZINC001130710135	939998090	/nfs/dbraw/zinc/99/80/90/939998090.db2.gz	OGWWFMUAFJDMTL-GOEBONIOSA-N	1	0	369.469	1.927	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cnc2C)C[C@H]1c1cn(C)cn1	ZINC001130719328	940022537	/nfs/dbraw/zinc/02/25/37/940022537.db2.gz	JUZRWHYRNVTKDG-MAUKXSAKSA-N	1	0	356.474	1.545	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CC(C)(C)C(F)(F)F)C[C@H]1c1cn(C)cn1	ZINC001130721684	940025540	/nfs/dbraw/zinc/02/55/40/940025540.db2.gz	OKMNEQWFEOBPNN-GXTWGEPZSA-N	1	0	356.392	1.916	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2csc(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130723705	940028458	/nfs/dbraw/zinc/02/84/58/940028458.db2.gz	VFVDGDFSUYMAQS-DOTOQJQBSA-N	1	0	359.499	1.888	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](F)Cc2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130734292	940034468	/nfs/dbraw/zinc/03/44/68/940034468.db2.gz	NHSRKULGSOPGEB-NLWGTHIKSA-N	1	0	368.456	1.908	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2COc3ccccc32)C[C@H]1c1cn(C)cn1	ZINC001130739989	940042074	/nfs/dbraw/zinc/04/20/74/940042074.db2.gz	ZSYDGWSBHBCRNY-JENIJYKNSA-N	1	0	364.449	1.504	20	30		FDEDRO
C=C[C@@H](CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1)c1ccccc1	ZINC001130731418	940044853	/nfs/dbraw/zinc/04/48/53/940044853.db2.gz	CRMJGGJGXIKBQY-XKGZKEIXSA-N	1	0	368.481	1.656	20	30		FDEDRO
C=C[C@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOC)C1)c1ccccc1	ZINC001130731800	940045250	/nfs/dbraw/zinc/04/52/50/940045250.db2.gz	PQNVBSCETNJTJZ-CMKODMSKSA-N	1	0	368.481	1.920	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CCCO1	ZINC000806788975	940050503	/nfs/dbraw/zinc/05/05/03/940050503.db2.gz	ZZSFNGIBFCLCSQ-BZSNNMDCSA-N	1	0	361.486	1.197	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cccc(C)c3)n2)O1	ZINC001130756335	940077640	/nfs/dbraw/zinc/07/76/40/940077640.db2.gz	AVDUJUYEIWLMPC-DLBZAZTESA-N	1	0	367.453	1.876	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCCC(C)=O)n2)O1	ZINC001130756539	940079674	/nfs/dbraw/zinc/07/96/74/940079674.db2.gz	MSZBNXIETKFUEC-LSDHHAIUSA-N	1	0	363.462	1.566	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCOC(C)C)n2)O1	ZINC001130758359	940084286	/nfs/dbraw/zinc/08/42/86/940084286.db2.gz	YWRXATQLGKSIJQ-LSDHHAIUSA-N	1	0	365.478	1.622	20	30		FDEDRO
CCOC(=O)C1=C(Nc2ccc(CN(C)C(C)=NC#N)cn2)CC[NH2+]C1	ZINC001170513327	940093717	/nfs/dbraw/zinc/09/37/17/940093717.db2.gz	IJSBOVFXNDNCIC-LPYMAVHISA-N	1	0	356.430	1.635	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COC(C)C)n2)O1	ZINC001130765438	940096567	/nfs/dbraw/zinc/09/65/67/940096567.db2.gz	SONBBHSIKJWBMJ-UONOGXRCSA-N	1	0	351.451	1.232	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COCCC)n2)O1	ZINC001130765567	940096815	/nfs/dbraw/zinc/09/68/15/940096815.db2.gz	XYCQNBWQPNREGJ-QWHCGFSZSA-N	1	0	371.869	1.410	20	30		FDEDRO
C=CCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCC[C@@H](C)O)O2)n[nH]1	ZINC001130767366	940100877	/nfs/dbraw/zinc/10/08/77/940100877.db2.gz	GMBXZYLPXMUHGY-QLFBSQMISA-N	1	0	365.478	1.358	20	30		FDEDRO
C=CCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+][C@@H](C)COC)O2)n[nH]1	ZINC001130767563	940101303	/nfs/dbraw/zinc/10/13/03/940101303.db2.gz	LYVNURZKKJBDAT-MELADBBJSA-N	1	0	351.451	1.232	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]Cc3ccccc3)O2)n[nH]1	ZINC001130769773	940106845	/nfs/dbraw/zinc/10/68/45/940106845.db2.gz	NYUJISKNHPIRHL-CWRNSKLLSA-N	1	0	368.441	1.590	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3[C@@H]4CCC[C@@H]43)n2)O1	ZINC001130770195	940108311	/nfs/dbraw/zinc/10/83/11/940108311.db2.gz	XHNFSMRRPNXWMA-DEQQHWRFSA-N	1	0	359.474	1.853	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cncc(C)c3)n2)O1	ZINC001130772420	940112473	/nfs/dbraw/zinc/11/24/73/940112473.db2.gz	MEQNRDROGTVVBR-LSDHHAIUSA-N	1	0	356.430	1.434	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)CSC)n2)O1	ZINC001130772655	940113433	/nfs/dbraw/zinc/11/34/33/940113433.db2.gz	WPJWOISDNHUSRE-RWMBFGLXSA-N	1	0	353.492	1.416	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(=O)C(C)(C)C)n2)O1	ZINC001130772754	940113976	/nfs/dbraw/zinc/11/39/76/940113976.db2.gz	ZYZMMKMWKIWCEU-QWHCGFSZSA-N	1	0	363.462	1.422	20	30		FDEDRO
O=C(C#CC1CC1)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCC3CC3)O2)n[nH]1	ZINC001130785494	940119938	/nfs/dbraw/zinc/11/99/38/940119938.db2.gz	QODBVWIHIJCJRJ-JKSUJKDBSA-N	1	0	357.458	1.444	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C#CC3CC3)n2)O1	ZINC001130785705	940120528	/nfs/dbraw/zinc/12/05/28/940120528.db2.gz	XGLWXLLTDYGBEM-JKSUJKDBSA-N	1	0	357.458	1.610	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C=Cc3ccc[nH]3)n2)O1	ZINC001130777183	940127750	/nfs/dbraw/zinc/12/77/50/940127750.db2.gz	VUWGOSAPBCKXAD-DNWYELSFSA-N	1	0	356.430	1.458	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[C@@H](C)OC)n2)O1	ZINC001130777032	940127986	/nfs/dbraw/zinc/12/79/86/940127986.db2.gz	SGPQNTMJWHNTII-QLFBSQMISA-N	1	0	365.478	1.622	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3c(C)coc3C)n2)O1	ZINC001130781219	940136392	/nfs/dbraw/zinc/13/63/92/940136392.db2.gz	UIYPFHHNUSXMGY-LSDHHAIUSA-N	1	0	371.441	1.778	20	30		FDEDRO
C#CCCCNC(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21	ZINC000806911437	940138793	/nfs/dbraw/zinc/13/87/93/940138793.db2.gz	BZZHTJJSDMOOGI-XUVXKRRUSA-N	1	0	367.493	1.933	20	30		FDEDRO
C#CCCCNC(=O)C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1	ZINC000806912132	940139832	/nfs/dbraw/zinc/13/98/32/940139832.db2.gz	WCILPMIWCKIMDR-IEBWSBKVSA-N	1	0	355.482	1.933	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3n[nH]cc3C)n2)O1	ZINC001130783478	940143016	/nfs/dbraw/zinc/14/30/16/940143016.db2.gz	ZZAMXPDLTODYSJ-QWHCGFSZSA-N	1	0	359.434	1.152	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](CCC)OC)n2)O1	ZINC001130794407	940146395	/nfs/dbraw/zinc/14/63/95/940146395.db2.gz	VFYKIEDUWDFFBB-BFHYXJOUSA-N	1	0	351.451	1.232	20	30		FDEDRO
C#CCC1(C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCF)O3)n[nH]2)CCC1	ZINC001130790174	940162695	/nfs/dbraw/zinc/16/26/95/940162695.db2.gz	LDPKVCSMAUZXOR-UONOGXRCSA-N	1	0	363.437	1.394	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(CC)o3)n2)O1	ZINC001130790310	940163697	/nfs/dbraw/zinc/16/36/97/940163697.db2.gz	SOCQCXPHVLLHKD-LSDHHAIUSA-N	1	0	371.441	1.723	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H]3C[C@H]3C3CC3)n2)O1	ZINC001130792733	940172613	/nfs/dbraw/zinc/17/26/13/940172613.db2.gz	VUVAMBFTDGGTQA-YHUYYLMFSA-N	1	0	357.458	1.300	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)c3ccco3)n2)O1	ZINC001130806525	940181254	/nfs/dbraw/zinc/18/12/54/940181254.db2.gz	FBBRUULBVBEVBM-VNHYZAJKSA-N	1	0	357.414	1.261	20	30		FDEDRO
C=C1CC(C)(C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CC4CC4)O3)n[nH]2)C1	ZINC001130809027	940185312	/nfs/dbraw/zinc/18/53/12/940185312.db2.gz	CSPATXMAFIUAQO-LSDHHAIUSA-N	1	0	359.474	1.997	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC(C)(F)F)n2)O1	ZINC001130809164	940186697	/nfs/dbraw/zinc/18/66/97/940186697.db2.gz	KIHIFBZLTOYZOS-NWDGAFQWSA-N	1	0	357.405	1.852	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)C(C)(F)F)n2)O1	ZINC001130809406	940188534	/nfs/dbraw/zinc/18/85/34/940188534.db2.gz	WWEYROQYYYTPOO-GRYCIOLGSA-N	1	0	357.405	1.708	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@](C)(C=C)CC)n2)O1	ZINC001130802094	940195934	/nfs/dbraw/zinc/19/59/34/940195934.db2.gz	BPKOPMBNUAGDHP-KHYOSLBOSA-N	1	0	359.474	1.856	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3conc3CC)n2)O1	ZINC001130802191	940196136	/nfs/dbraw/zinc/19/61/36/940196136.db2.gz	GWFNULIJOLPQJH-SMDDNHRTSA-N	1	0	360.418	1.281	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(Cl)[nH]3)n2)O1	ZINC001130802210	940196973	/nfs/dbraw/zinc/19/69/73/940196973.db2.gz	IHSTZARFTVFUGV-CMPLNLGQSA-N	1	0	362.821	1.159	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3ccco3)n2)O1	ZINC001130813156	940211865	/nfs/dbraw/zinc/21/18/65/940211865.db2.gz	KBIAYMWQAFVZJC-LSDHHAIUSA-N	1	0	357.414	1.090	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ncccn3)n2)O1	ZINC001130813409	940212610	/nfs/dbraw/zinc/21/26/10/940212610.db2.gz	OMCUEYQZIVIPCZ-UONOGXRCSA-N	1	0	371.445	1.301	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H](C)CC(C)C)n2)O1	ZINC001130815813	940216249	/nfs/dbraw/zinc/21/62/49/940216249.db2.gz	ASTCIWYVADDDBD-HRCADAONSA-N	1	0	361.490	1.936	20	30		FDEDRO
C#C[C@H](CC)NC(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1	ZINC000807034880	940225274	/nfs/dbraw/zinc/22/52/74/940225274.db2.gz	VUDUXGRAKJQGHB-CQSZACIVSA-N	1	0	358.442	1.433	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H](C)C3CC3)n2)O1	ZINC001130820283	940227677	/nfs/dbraw/zinc/22/76/77/940227677.db2.gz	RGBBFOMUVVPZCK-VNQPRFMTSA-N	1	0	359.474	1.690	20	30		FDEDRO
CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC#Cc3ccccc3)n2)O1	ZINC001130820389	940227695	/nfs/dbraw/zinc/22/76/95/940227695.db2.gz	VRSPSSPIUQBLQK-DLBZAZTESA-N	1	0	367.453	1.692	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3COCCO3)C2)c(F)c1	ZINC001086648157	940234228	/nfs/dbraw/zinc/23/42/28/940234228.db2.gz	RNVCOVPNFNEKRM-LESCRADOSA-N	1	0	361.417	1.487	20	30		FDEDRO
CN1CC[NH+](CC2CCN(C(=O)c3ncc(C#N)cc3Cl)CC2)CC1	ZINC001136645814	945308871	/nfs/dbraw/zinc/30/88/71/945308871.db2.gz	XJVFRLPAZUFYRJ-UHFFFAOYSA-N	1	0	361.877	1.706	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2nnn(C)c2C)C[C@H]1c1cncn1C	ZINC001130948270	940346637	/nfs/dbraw/zinc/34/66/37/940346637.db2.gz	CLXYZDOVKLQSQF-NUEKZKHPSA-N	1	0	371.489	1.410	20	30		FDEDRO
CCOCCC[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1c1cncn1C	ZINC001130961720	940367190	/nfs/dbraw/zinc/36/71/90/940367190.db2.gz	MOGSLZOQWZJTJD-NVXWUHKLSA-N	1	0	370.457	1.244	20	30		FDEDRO
Cn1cncc1[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]C/C=C\Cl	ZINC001130961857	940367464	/nfs/dbraw/zinc/36/74/64/940367464.db2.gz	VGYOOEDYYGUSOJ-YYTOUKDWSA-N	1	0	358.833	1.570	20	30		FDEDRO
CC[C@H](C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1c1cncn1C)OC	ZINC001130969404	940377234	/nfs/dbraw/zinc/37/72/34/940377234.db2.gz	ZCOPCMMHBGPTON-BRWVUGGUSA-N	1	0	370.457	1.243	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCCOC)C1	ZINC001130964601	940386392	/nfs/dbraw/zinc/38/63/92/940386392.db2.gz	UHBLPNMNKYBRLQ-QZTJIDSGSA-N	1	0	360.502	1.924	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(OC)no2)C[C@H]1c1cncn1C	ZINC001130964543	940386452	/nfs/dbraw/zinc/38/64/52/940386452.db2.gz	QBYBDWBMNCOGSR-ZIAGYGMSSA-N	1	0	359.430	1.581	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(CC(C)C)n2)C[C@H]1c1cncn1C	ZINC001130991300	940413471	/nfs/dbraw/zinc/41/34/71/940413471.db2.gz	CLNKZNHQTRBRLW-NVXWUHKLSA-N	1	0	368.485	1.563	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1c1cncn1C	ZINC001130991284	940413540	/nfs/dbraw/zinc/41/35/40/940413540.db2.gz	CASNWWJOSGUEBL-QBPKDAKJSA-N	1	0	373.501	1.185	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCO[C@H]2C(C)C)C[C@H]1c1cncn1C	ZINC001130991638	940414754	/nfs/dbraw/zinc/41/47/54/940414754.db2.gz	VIGQOKSVVVEEGX-XFKSJGNHSA-N	1	0	372.513	1.779	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccncc2)C[C@H]1c1cncn1C	ZINC001130994218	940416549	/nfs/dbraw/zinc/41/65/49/940416549.db2.gz	NPHHDSYBRNSKBV-WJFTUGDTSA-N	1	0	363.465	1.526	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3n[nH]cc32)C[C@H]1c1cncn1C	ZINC001130994329	940417337	/nfs/dbraw/zinc/41/73/37/940417337.db2.gz	UHFLEKSBXYGQPP-QGPMSJSTSA-N	1	0	368.485	1.723	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCCCCCC)C[C@H]1c1cncn1C	ZINC001130995899	940419565	/nfs/dbraw/zinc/41/95/65/940419565.db2.gz	QPFXJVZXRDBIFP-RCCFBDPRSA-N	1	0	360.502	1.923	20	30		FDEDRO
COCCCC[NH2+][C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1c1cncn1C	ZINC001130985681	940423034	/nfs/dbraw/zinc/42/30/34/940423034.db2.gz	LENVJPMJWDXDRZ-IAGOWNOFSA-N	1	0	360.502	1.780	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1c1cncn1C	ZINC001131006057	940432271	/nfs/dbraw/zinc/43/22/71/940432271.db2.gz	JQULEGFJBNEAPG-HUUCEWRRSA-N	1	0	350.438	1.399	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1c1cncn1C	ZINC001131012141	940443854	/nfs/dbraw/zinc/44/38/54/940443854.db2.gz	DFLSYIZEBBBHKG-NUEKZKHPSA-N	1	0	370.457	1.468	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)(C)C)n[nH]2)C[C@H]1c1cncn1C	ZINC001131020135	940452529	/nfs/dbraw/zinc/45/25/29/940452529.db2.gz	LUXFBJVJYHXCQZ-GDBMZVCRSA-N	1	0	368.485	1.662	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3cnccc3o2)C[C@H]1c1cncn1C	ZINC001131023035	940456385	/nfs/dbraw/zinc/45/63/85/940456385.db2.gz	OAPOEMVYVNUPEZ-HZPDHXFCSA-N	1	0	363.421	1.782	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1c1cncn1C	ZINC001131023237	940456733	/nfs/dbraw/zinc/45/67/33/940456733.db2.gz	UHSKFXDGGWQDKZ-IAGOWNOFSA-N	1	0	369.469	1.283	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2nc(C)c(C)nc2C)C[C@H]1c1cncn1C	ZINC001131025794	940458716	/nfs/dbraw/zinc/45/87/16/940458716.db2.gz	CMFVNQXRIHLZEQ-IAGOWNOFSA-N	1	0	366.469	1.356	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(Cl)n(C)n2)C[C@H]1c1cncn1C	ZINC001131025843	940459041	/nfs/dbraw/zinc/45/90/41/940459041.db2.gz	GANHQJLDVIQMTR-TZMCWYRMSA-N	1	0	360.849	1.028	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ncc3ccccn32)C[C@H]1c1cncn1C	ZINC001131028855	940463324	/nfs/dbraw/zinc/46/33/24/940463324.db2.gz	MMNCSIKQQDWDGR-IAGOWNOFSA-N	1	0	364.453	1.842	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)noc2C2CC2)C[C@H]1c1cncn1C	ZINC001131028962	940463637	/nfs/dbraw/zinc/46/36/37/940463637.db2.gz	SULPUZOULYYLHZ-HZPDHXFCSA-N	1	0	367.453	1.815	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)CC(F)(F)F)C[C@H]1c1cncn1C	ZINC001131035446	940464874	/nfs/dbraw/zinc/46/48/74/940464874.db2.gz	AFKPNKNZZFHKSM-MGPQQGTHSA-N	1	0	356.392	1.916	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2n[nH]nc2C)C[C@H]1c1cncn1C	ZINC001131040143	940468033	/nfs/dbraw/zinc/46/80/33/940468033.db2.gz	OAUJURGPSDUKBP-HZPDHXFCSA-N	1	0	371.489	1.791	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2c(C)nn(C)c2C)C[C@H]1c1cncn1C	ZINC001131040456	940468482	/nfs/dbraw/zinc/46/84/82/940468482.db2.gz	WNRIRCDBWOYJKH-QZTJIDSGSA-N	1	0	370.501	1.473	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2cnn(C)c2)C[C@H]1c1cncn1C	ZINC001131042393	940471671	/nfs/dbraw/zinc/47/16/71/940471671.db2.gz	QHNJPKAUNVHANQ-KBAYOESNSA-N	1	0	368.485	1.255	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOCC2CC2)C1	ZINC001131044261	940473139	/nfs/dbraw/zinc/47/31/39/940473139.db2.gz	VOQDTQQMRASCPP-IAGOWNOFSA-N	1	0	360.502	1.943	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2(c3cc(C)no3)CC2)C[C@H]1c1cncn1C	ZINC001131051324	940476120	/nfs/dbraw/zinc/47/61/20/940476120.db2.gz	INHSIALGNZBMLC-HZPDHXFCSA-N	1	0	367.453	1.356	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1c1cncn1C	ZINC001131055609	940481447	/nfs/dbraw/zinc/48/14/47/940481447.db2.gz	DWQFDGIGBLAGJS-SQWLQELKSA-N	1	0	370.457	1.056	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCCC=C)C2)c1	ZINC001131068288	940483344	/nfs/dbraw/zinc/48/33/44/940483344.db2.gz	XILOICIUOUJVJS-RTBURBONSA-N	1	0	363.465	1.960	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccn(CC)n2)C[C@H]1c1cncn1C	ZINC001131082722	940488128	/nfs/dbraw/zinc/48/81/28/940488128.db2.gz	YGZMKFLFRNCVCQ-NVXWUHKLSA-N	1	0	356.474	1.801	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)n[nH]2)C[C@H]1c1cncn1C	ZINC001131073571	940490277	/nfs/dbraw/zinc/49/02/77/940490277.db2.gz	IEZAEVFDXYDKBU-RHSMWYFYSA-N	1	0	354.458	1.488	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc(OC)n2)C[C@H]1c1cncn1C	ZINC001131098364	940492735	/nfs/dbraw/zinc/49/27/35/940492735.db2.gz	AIVFYCJTOOZXAD-GDBMZVCRSA-N	1	0	355.442	1.598	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnoc2C(C)C)C[C@H]1c1cncn1C	ZINC001131099237	940493070	/nfs/dbraw/zinc/49/30/70/940493070.db2.gz	QDRTXBSEHAVRMQ-HZPDHXFCSA-N	1	0	355.442	1.753	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC2)C[C@H]1c1cncn1C	ZINC001131086321	940493389	/nfs/dbraw/zinc/49/33/89/940493389.db2.gz	MBTOLFCYSIBWIB-BSDSXHPESA-N	1	0	356.470	1.000	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cncc(OC)n2)C[C@H]1c1cncn1C	ZINC001131086298	940493441	/nfs/dbraw/zinc/49/34/41/940493441.db2.gz	KZOWRCVESUTFNM-GDBMZVCRSA-N	1	0	370.457	1.383	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2c(C)n[nH]c2C)C[C@H]1c1cncn1C	ZINC001131091482	940495786	/nfs/dbraw/zinc/49/57/86/940495786.db2.gz	JXJNROIXDIEBEB-IAOVAPTHSA-N	1	0	368.485	1.471	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1c1cncn1C	ZINC001131110471	940498272	/nfs/dbraw/zinc/49/82/72/940498272.db2.gz	OXZAOHNETHDICV-HZPDHXFCSA-N	1	0	367.925	1.789	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCC(=O)NCC)C[C@H]1c1cncn1C	ZINC001131110735	940498326	/nfs/dbraw/zinc/49/83/26/940498326.db2.gz	WVDLSLACWWPUGS-HZPDHXFCSA-N	1	0	361.490	1.187	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cccc2)C[C@H]1c1cncn1C	ZINC001131112497	940498762	/nfs/dbraw/zinc/49/87/62/940498762.db2.gz	FUMFAMFLFFDXFW-RCCFBDPRSA-N	1	0	353.470	1.780	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]C[C@@H](C)OC)C2)cn1	ZINC001131113166	940499406	/nfs/dbraw/zinc/49/94/06/940499406.db2.gz	WCOXTEBPGPYLRX-ZTFGCOKTSA-N	1	0	367.453	1.029	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)CC(F)(F)F)C[C@H]1c1cncn1C	ZINC001131107818	940502195	/nfs/dbraw/zinc/50/21/95/940502195.db2.gz	AOIFPAVRLYCSFS-BFHYXJOUSA-N	1	0	356.392	1.916	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCF)C1	ZINC001131117860	940504537	/nfs/dbraw/zinc/50/45/37/940504537.db2.gz	WFIZXXQGXXDSJF-RTBURBONSA-N	1	0	368.456	1.888	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3cccnc3C2)C[C@H]1c1cncn1C	ZINC001131115197	940508613	/nfs/dbraw/zinc/50/86/13/940508613.db2.gz	CRVBOLQEECYEAV-YQVWRLOYSA-N	1	0	365.481	1.690	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCCC(C)C)C[C@H]1c1cncn1C	ZINC001131132783	940512597	/nfs/dbraw/zinc/51/25/97/940512597.db2.gz	RGLOBQMTLFENTN-KZNAEPCWSA-N	1	0	360.502	1.779	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NOC2CC[NH+](C)CC2)ccc1F	ZINC000808024905	940512631	/nfs/dbraw/zinc/51/26/31/940512631.db2.gz	UZTKYCREWPZJGF-UHFFFAOYSA-N	1	0	371.434	1.046	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2O)CC1	ZINC000808143571	940522106	/nfs/dbraw/zinc/52/21/06/940522106.db2.gz	BCSZTUBYTGBHRL-ZIAGYGMSSA-N	1	0	358.442	1.212	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3nccnc3N)C2)c(F)c1	ZINC001086661859	940535930	/nfs/dbraw/zinc/53/59/30/940535930.db2.gz	MMBXODLORCBWEV-DZGCQCFKSA-N	1	0	368.416	1.758	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1cccc(F)c1C#N	ZINC000808335151	940542561	/nfs/dbraw/zinc/54/25/61/940542561.db2.gz	ROAGZGXGCZDNPZ-UHFFFAOYSA-N	1	0	356.467	1.201	20	30		FDEDRO
CC(C)C#CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CC4CCC4)C[C@H]32)C1	ZINC001131307093	940548953	/nfs/dbraw/zinc/54/89/53/940548953.db2.gz	IRLLZDBGSNETBA-KSZLIROESA-N	1	0	359.470	1.552	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CC4CCC4)C[C@H]32)C1	ZINC001131307585	940549297	/nfs/dbraw/zinc/54/92/97/940549297.db2.gz	XPMMJADZAMUROK-BBWFWOEESA-N	1	0	363.458	1.095	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](C(C)C)C[C@H]32)C1	ZINC001131322992	940551762	/nfs/dbraw/zinc/55/17/62/940551762.db2.gz	JWHVZRQWOHNDLU-XHSDSOJGSA-N	1	0	351.447	1.093	20	30		FDEDRO
C=CCCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1	ZINC001131369624	940557738	/nfs/dbraw/zinc/55/77/38/940557738.db2.gz	QBKOLLXHSDCHIO-BCDMZGRMSA-N	1	0	361.486	1.027	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(C)=O)CC1	ZINC001131404305	940564466	/nfs/dbraw/zinc/56/44/66/940564466.db2.gz	LXNDLUINQXVSAC-MJGOQNOKSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)C)CC1	ZINC001131421680	940566348	/nfs/dbraw/zinc/56/63/48/940566348.db2.gz	QEQCWMJSEVGUSM-UAGQMJEPSA-N	1	0	351.491	1.319	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCC)CC1	ZINC001131424721	940566602	/nfs/dbraw/zinc/56/66/02/940566602.db2.gz	QQCALFLQESKUEZ-WDYCEAGBSA-N	1	0	365.518	1.853	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cc1	ZINC000808765539	940592994	/nfs/dbraw/zinc/59/29/94/940592994.db2.gz	JLJSVQWEEGFITI-INIZCTEOSA-N	1	0	363.483	1.883	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cscn2)CC1	ZINC001131445193	940616456	/nfs/dbraw/zinc/61/64/56/940616456.db2.gz	NDOWVSWCVISWCY-WBVHZDCISA-N	1	0	363.483	1.392	20	30		FDEDRO
C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC[C@@H]2CCCO2)CC1	ZINC001131461619	940619951	/nfs/dbraw/zinc/61/99/51/940619951.db2.gz	RNRLVOPNKOPVBQ-NSHGMRRFSA-N	1	0	366.502	1.744	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)/C(C)=C/C)CC1	ZINC001131467658	940624094	/nfs/dbraw/zinc/62/40/94/940624094.db2.gz	JMOYWWVNKWWOHL-BUQJSVRCSA-N	1	0	361.486	1.076	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)n2cncn2)CC1	ZINC001131470667	940626163	/nfs/dbraw/zinc/62/61/63/940626163.db2.gz	NRCJTEQLARYIGN-JQHSSLGASA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCn2ccnn2)CC1	ZINC001131487845	940631924	/nfs/dbraw/zinc/63/19/24/940631924.db2.gz	JCTRLCATZZOKCH-MJGOQNOKSA-N	1	0	361.490	1.620	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2=CCOCC2)CC1	ZINC001131479114	940635428	/nfs/dbraw/zinc/63/54/28/940635428.db2.gz	VXAOOVLSYYJGRN-MOPGFXCFSA-N	1	0	364.486	1.521	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC(=O)NCC)CC1	ZINC001131480365	940636259	/nfs/dbraw/zinc/63/62/59/940636259.db2.gz	IRBGAFVNCJDSEI-APWZRJJASA-N	1	0	351.491	1.465	20	30		FDEDRO
C#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NCC=C)CC1	ZINC001131483198	940638861	/nfs/dbraw/zinc/63/88/61/940638861.db2.gz	SRONFDKSUAJOEP-XLIONFOSSA-N	1	0	361.486	1.078	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC2(O)CCC2)CC1	ZINC001131490855	940640698	/nfs/dbraw/zinc/64/06/98/940640698.db2.gz	DONBHUFOODKSGJ-MJGOQNOKSA-N	1	0	366.502	1.480	20	30		FDEDRO
O=C(C#CC1CC1)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCC(F)F)CC1	ZINC001131493802	940644599	/nfs/dbraw/zinc/64/45/99/940644599.db2.gz	RWDBMJVQQXMAOL-APWZRJJASA-N	1	0	370.440	1.667	20	30		FDEDRO
C=CCN(C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)C	ZINC000808900900	940650408	/nfs/dbraw/zinc/65/04/08/940650408.db2.gz	ZSZVXJDVPJWAAV-IBGZPJMESA-N	1	0	373.497	1.817	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)C(=O)C2CC2)CC1	ZINC001131510692	940660330	/nfs/dbraw/zinc/66/03/30/940660330.db2.gz	XJTNSRCFYBCZMA-MJGOQNOKSA-N	1	0	363.502	1.417	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccnn2C(F)F)CC1	ZINC001131506708	940668602	/nfs/dbraw/zinc/66/86/02/940668602.db2.gz	LMZPZZPLDJEAFS-ZBFHGGJFSA-N	1	0	366.412	1.901	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc3cccn3cn2)CC1	ZINC001131519520	940688893	/nfs/dbraw/zinc/68/88/93/940688893.db2.gz	PBUOXYLQZVRVBR-QUCCMNQESA-N	1	0	366.465	1.957	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccc(C(N)=O)c2)CC1	ZINC001131519701	940689497	/nfs/dbraw/zinc/68/94/97/940689497.db2.gz	VORSOHBLUTZTTF-MOPGFXCFSA-N	1	0	371.481	1.961	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H]2CCC(=O)NC2)CC1	ZINC001131512179	940694863	/nfs/dbraw/zinc/69/48/63/940694863.db2.gz	RINRIVPRQNIOOU-MDYRTPRTSA-N	1	0	363.502	1.465	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn3cccnc3n2)CC1	ZINC001131526457	940711394	/nfs/dbraw/zinc/71/13/94/940711394.db2.gz	UBEKJUNCHQGOMT-AEFFLSMTSA-N	1	0	367.453	1.352	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NC2CC2)CC1	ZINC001131546302	940722384	/nfs/dbraw/zinc/72/23/84/940722384.db2.gz	WDSGWYAUOSJHIZ-AEFFLSMTSA-N	1	0	363.502	1.463	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC1	ZINC001131552453	940728810	/nfs/dbraw/zinc/72/88/10/940728810.db2.gz	PRIZQWJXEZTQAL-CXQPBAHBSA-N	1	0	360.498	1.668	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NC)CC1	ZINC001131558209	940732853	/nfs/dbraw/zinc/73/28/53/940732853.db2.gz	MZFHTHXKLLXWAB-AYBZRNKSSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](COC)OC)CC1	ZINC001131559985	940734135	/nfs/dbraw/zinc/73/41/35/940734135.db2.gz	QVSBSPPBQMSXBI-SQNIBIBYSA-N	1	0	354.491	1.600	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCNC(=O)C3)C2)cc1	ZINC001086671175	940734616	/nfs/dbraw/zinc/73/46/16/940734616.db2.gz	NRZIDUCDEZPJNZ-RCCFBDPRSA-N	1	0	354.454	1.459	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2Cc3ccncc3C2)CC1	ZINC001131570425	940746208	/nfs/dbraw/zinc/74/62/08/940746208.db2.gz	GDVZRNWTCKKQNB-TYPHKJRUSA-N	1	0	367.493	1.805	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](CC)NC(C)=O)CC1	ZINC001131570951	940747010	/nfs/dbraw/zinc/74/70/10/940747010.db2.gz	UVJZVQINCAOMSM-OTWHNJEPSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H](O)COC)CC1	ZINC001131572681	940748668	/nfs/dbraw/zinc/74/86/68/940748668.db2.gz	LICFHUKJWJVJSX-KURKYZTESA-N	1	0	368.518	1.582	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCn2cncn2)CC1	ZINC001131590787	940760697	/nfs/dbraw/zinc/76/06/97/940760697.db2.gz	SQLFEBIGFYEZKS-MJGOQNOKSA-N	1	0	361.490	1.620	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2nocc2C)CC1	ZINC001131593013	940763888	/nfs/dbraw/zinc/76/38/88/940763888.db2.gz	HVNQATVAEXHHDM-AEFFLSMTSA-N	1	0	361.442	1.232	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@](C)(NC(C)=O)C2CC2)CC1	ZINC001131593040	940764283	/nfs/dbraw/zinc/76/42/83/940764283.db2.gz	JIWNLVTYVRFQHI-HBFSDRIKSA-N	1	0	363.502	1.463	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H](C)n2cccn2)CC1	ZINC001131593128	940764404	/nfs/dbraw/zinc/76/44/04/940764404.db2.gz	NKKSRSFYTJNFIK-HQRMLTQVSA-N	1	0	358.486	1.843	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@](C)(NC(C)=O)C2CC2)CC1	ZINC001131593041	940764418	/nfs/dbraw/zinc/76/44/18/940764418.db2.gz	JIWNLVTYVRFQHI-WSTZPKSXSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(=O)NCC2CC2)CC1	ZINC001131593317	940764673	/nfs/dbraw/zinc/76/46/73/940764673.db2.gz	XFMNDPCZINNWHL-MSOLQXFVSA-N	1	0	363.502	1.465	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCc3n[nH]cc3C2)CC1	ZINC001131593282	940764815	/nfs/dbraw/zinc/76/48/15/940764815.db2.gz	VNPLDYLCNDEWQW-AHRSYUTCSA-N	1	0	370.497	1.524	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnc(C)nc2C)CC1	ZINC001131580065	940765956	/nfs/dbraw/zinc/76/59/56/940765956.db2.gz	IBENWUGJZSTTNM-MOPGFXCFSA-N	1	0	356.470	1.716	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCC(=O)NCC)CC1	ZINC001131595029	940777375	/nfs/dbraw/zinc/77/73/75/940777375.db2.gz	LYJDEJJSYAZXDG-XLIONFOSSA-N	1	0	363.502	1.302	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCCO)CC2)nc1	ZINC001131597125	940780878	/nfs/dbraw/zinc/78/08/78/940780878.db2.gz	MZUJDJBDFWSPCZ-MJGOQNOKSA-N	1	0	357.454	1.045	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c(C)n[nH]c2C)CC1	ZINC001131601542	940785095	/nfs/dbraw/zinc/78/50/95/940785095.db2.gz	IMZZJXTZHOHNHQ-QUCCMNQESA-N	1	0	358.486	1.578	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCCC(=O)NC)CC1	ZINC001131609038	940789195	/nfs/dbraw/zinc/78/91/95/940789195.db2.gz	XCENFKOPNUDKRW-APWZRJJASA-N	1	0	351.491	1.465	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCn2ccnc2)CC1	ZINC001131610140	940789463	/nfs/dbraw/zinc/78/94/63/940789463.db2.gz	BAQZYCSQDMJLAX-QUCCMNQESA-N	1	0	358.486	1.672	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCC)CC1	ZINC001131610355	940790443	/nfs/dbraw/zinc/79/04/43/940790443.db2.gz	MOSFYXFVEYMPSM-NXHRZFHOSA-N	1	0	354.491	1.600	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCO1	ZINC000809310451	940814793	/nfs/dbraw/zinc/81/47/93/940814793.db2.gz	JLYYKOPKKAPPOH-FHWLQOOXSA-N	1	0	369.465	1.016	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1C#N	ZINC000809504719	940846805	/nfs/dbraw/zinc/84/68/05/940846805.db2.gz	RUEXHYRPRCDVIM-QGZVFWFLSA-N	1	0	370.453	1.316	20	30		FDEDRO
CC(C)c1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1C	ZINC001086675972	940923530	/nfs/dbraw/zinc/92/35/30/940923530.db2.gz	IRLWKOQIZIPDHK-UONOGXRCSA-N	1	0	369.473	1.827	20	30		FDEDRO
CCc1nnc([C@H](C)[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)[nH]1	ZINC001086676310	940933450	/nfs/dbraw/zinc/93/34/50/940933450.db2.gz	RCGODZPNFWNIIM-RWMBFGLXSA-N	1	0	355.446	1.816	20	30		FDEDRO
CC(C)[C@H](CNS(=O)(=O)c1cncc(C#N)c1)[NH+]1CCC(C)CC1	ZINC000810041193	940939731	/nfs/dbraw/zinc/93/97/31/940939731.db2.gz	OMXOIEOBHQWSQN-KRWDZBQOSA-N	1	0	350.488	1.988	20	30		FDEDRO
Cc1nnc(N(CC(C)(C)[NH3+])S(=O)(=O)c2ccccc2)c(C#N)c1C	ZINC001170595592	940941230	/nfs/dbraw/zinc/94/12/30/940941230.db2.gz	KTQHGORMOUYSFP-UHFFFAOYSA-N	1	0	359.455	1.898	20	30		FDEDRO
CC(C)(C)n1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1	ZINC001086676403	940948890	/nfs/dbraw/zinc/94/88/90/940948890.db2.gz	AIPLWWNLFPZHHJ-GXTWGEPZSA-N	1	0	370.461	1.316	20	30		FDEDRO
COc1cncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1	ZINC001086676683	940949068	/nfs/dbraw/zinc/94/90/68/940949068.db2.gz	PTOWRTYHMXFOKL-GXTWGEPZSA-N	1	0	354.414	1.373	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@H]3CCc4ncnn43)C2)c[nH]1	ZINC001086676736	940949077	/nfs/dbraw/zinc/94/90/77/940949077.db2.gz	SEWQOVIUCBYGKA-JGGQBBKZSA-N	1	0	353.430	1.153	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3noc4c3COCC4)C2)c[nH]1	ZINC001086676831	940949440	/nfs/dbraw/zinc/94/94/40/940949440.db2.gz	XANFIQXCUZERSH-GXTWGEPZSA-N	1	0	369.425	1.635	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C)sn3)C2)C1=O	ZINC001086683759	941062474	/nfs/dbraw/zinc/06/24/74/941062474.db2.gz	DXYMEJVLBYQNLK-RRFJBIMHSA-N	1	0	362.499	1.727	20	30		FDEDRO
C#C[C@@H](C)N(C)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000812033761	941179538	/nfs/dbraw/zinc/17/95/38/941179538.db2.gz	DOZQKFCJGWDDNU-QAPCUYQASA-N	1	0	356.470	1.547	20	30		FDEDRO
COc1ccc(CNC(=O)N(C)CCC[N@H+](C)CCN(C)C)cc1C#N	ZINC000812177497	941185936	/nfs/dbraw/zinc/18/59/36/941185936.db2.gz	HXIBTBZLARLDSG-UHFFFAOYSA-N	1	0	361.490	1.592	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)cc1	ZINC000812345230	941196099	/nfs/dbraw/zinc/19/60/99/941196099.db2.gz	WQLMSFVHPPOCJS-CVEARBPZSA-N	1	0	363.483	1.175	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(=O)NCCc2c(C)cc(C)cc2C)CC1	ZINC000747816683	941272000	/nfs/dbraw/zinc/27/20/00/941272000.db2.gz	OUZNXHFLJOUGEN-UHFFFAOYSA-N	1	0	369.509	1.732	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@H](O)COc2ccc(OCC)cc2)CC1	ZINC000747816565	941274148	/nfs/dbraw/zinc/27/41/48/941274148.db2.gz	IPYINUVAKJCISW-KRWDZBQOSA-N	1	0	360.454	1.286	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CCCN2C(=O)c3ccccc3C2=O)CC1	ZINC000747823807	941280530	/nfs/dbraw/zinc/28/05/30/941280530.db2.gz	UZCLMHPCGGOKKP-UHFFFAOYSA-N	1	0	353.422	1.134	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=NOCC(=O)NCCc2ccc(F)cc2)cc1	ZINC000747838830	941331687	/nfs/dbraw/zinc/33/16/87/941331687.db2.gz	NMTKWVJADPRLSM-UHFFFAOYSA-N	1	0	372.444	1.883	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC(=O)N(CCOC)C2)C1	ZINC001086710895	941360835	/nfs/dbraw/zinc/36/08/35/941360835.db2.gz	OVODBMJLFVMZEW-SOUVJXGZSA-N	1	0	357.882	1.108	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)Nc1cc(F)ccc1C	ZINC001134061692	941540334	/nfs/dbraw/zinc/54/03/34/941540334.db2.gz	DDYWOMZKYHNDBO-LXZKKBNFSA-N	1	0	363.433	1.758	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N[C@@H](C)c1ccc(F)cc1	ZINC001134061873	941540376	/nfs/dbraw/zinc/54/03/76/941540376.db2.gz	HMOAIEOVOPIDHM-XKQJLSEDSA-N	1	0	363.433	1.300	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCn2nc(C)cc2C)C1	ZINC001086721385	941646664	/nfs/dbraw/zinc/64/66/64/941646664.db2.gz	WWQFMZCRXYACPY-ZCNNSNEGSA-N	1	0	371.529	1.472	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000747979944	941727438	/nfs/dbraw/zinc/72/74/38/941727438.db2.gz	NPFNIVOHGGMOMH-IBGZPJMESA-N	1	0	368.481	1.432	20	30		FDEDRO
C#CC[N@H+](C)CCCNc1ncc(C(=O)N2CCOCC2)cc1Cl	ZINC000814929631	941739901	/nfs/dbraw/zinc/73/99/01/941739901.db2.gz	NIFRGSGLYZMEEX-UHFFFAOYSA-N	1	0	350.850	1.574	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(F)c(Br)c1	ZINC000815082598	941777006	/nfs/dbraw/zinc/77/70/06/941777006.db2.gz	AYFZQFCXUREAPN-UHFFFAOYSA-N	1	0	363.252	1.822	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000815082636	941777202	/nfs/dbraw/zinc/77/72/02/941777202.db2.gz	CGFCCWLVPUCNPC-UHFFFAOYSA-N	1	0	373.519	1.260	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(OCCOC)c(C)c1	ZINC000815082181	941777826	/nfs/dbraw/zinc/77/78/26/941777826.db2.gz	CRZXXHPPJUQNRB-UHFFFAOYSA-N	1	0	354.472	1.254	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1cccc(OC(F)(F)F)c1	ZINC000815083205	941778243	/nfs/dbraw/zinc/77/82/43/941778243.db2.gz	QGGOMIPCBUJYDF-UHFFFAOYSA-N	1	0	350.362	1.819	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)C1=O	ZINC001135026236	941851698	/nfs/dbraw/zinc/85/16/98/941851698.db2.gz	LBEMLQJQGKGYAV-OTWHNJEPSA-N	1	0	355.482	1.900	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)c1ccc(F)cc1	ZINC001135067619	941883303	/nfs/dbraw/zinc/88/33/03/941883303.db2.gz	DRHFMRIGALJCRF-BZSNNMDCSA-N	1	0	350.434	1.936	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CCNC(=O)NC(C)(C)C	ZINC001135061669	941887305	/nfs/dbraw/zinc/88/73/05/941887305.db2.gz	ZPFDZYYMVBLPRV-GJZGRUSLSA-N	1	0	354.495	1.161	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cnc[nH]c3=O)C2)c1	ZINC001086728027	941890176	/nfs/dbraw/zinc/89/01/76/941890176.db2.gz	IUALBTKKUVLKER-DZGCQCFKSA-N	1	0	369.400	1.881	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]Cc1cc(-c2cnn(C)c2)no1	ZINC001135142492	941927881	/nfs/dbraw/zinc/92/78/81/941927881.db2.gz	XMIZXGLQPLQQEF-RDJZCZTQSA-N	1	0	359.430	1.262	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C1CCCCC1	ZINC001135145469	941929041	/nfs/dbraw/zinc/92/90/41/941929041.db2.gz	JKPSZTNLTLCYDQ-SZMVWBNQSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCCC1=CCCCC1	ZINC001135145731	941929677	/nfs/dbraw/zinc/92/96/77/941929677.db2.gz	REQMSMWCTWICDC-HKUYNNGSSA-N	1	0	363.502	1.680	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NCc1ccccc1	ZINC001135147213	941942312	/nfs/dbraw/zinc/94/23/12/941942312.db2.gz	DYBHDILSUFJCDV-NJAFHUGGSA-N	1	0	359.470	1.378	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1	ZINC000815831267	941981782	/nfs/dbraw/zinc/98/17/82/941981782.db2.gz	DKTQQLGBBHGRDY-HXUWFJFHSA-N	1	0	355.438	1.581	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cnc2c(cnn2C(C)C)c1	ZINC000815860795	941996021	/nfs/dbraw/zinc/99/60/21/941996021.db2.gz	APIKWFKHSUVSQQ-UHFFFAOYSA-N	1	0	356.430	1.022	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2nn(C(C)C)cc2c1	ZINC000815860414	941996139	/nfs/dbraw/zinc/99/61/39/941996139.db2.gz	KNUHNAVKGYRVNG-UHFFFAOYSA-N	1	0	355.442	1.627	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(OC(C)C)c(OC)c1	ZINC000815861470	941996835	/nfs/dbraw/zinc/99/68/35/941996835.db2.gz	KFCLCJNZXHXMPE-UHFFFAOYSA-N	1	0	361.442	1.492	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2coc(S(N)(=O)=O)c2)C1	ZINC001086736322	942112943	/nfs/dbraw/zinc/11/29/43/942112943.db2.gz	LQMQFAWGAVMVDV-CMPLNLGQSA-N	1	0	361.851	1.168	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1	ZINC001135504779	942132586	/nfs/dbraw/zinc/13/25/86/942132586.db2.gz	JKEWUONOVPSJNE-RBUKOAKNSA-N	1	0	351.450	1.951	20	30		FDEDRO
CCCC[C@H](ON=C(C)C)C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1	ZINC000816609625	942275492	/nfs/dbraw/zinc/27/54/92/942275492.db2.gz	HRDFLRVMIZMKJC-SJORKVTESA-N	1	0	366.506	1.769	20	30		FDEDRO
C#CC[C@]1(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)CCCN1C(=O)OC(C)(C)C	ZINC000816950110	942397246	/nfs/dbraw/zinc/39/72/46/942397246.db2.gz	LXLMAOLEPWLPCE-TWOQFEAHSA-N	1	0	361.486	1.942	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3CC)C2)cc1	ZINC001086774158	942463042	/nfs/dbraw/zinc/46/30/42/942463042.db2.gz	YEWMJKVGNUNHIZ-FUHWJXTLSA-N	1	0	351.454	1.968	20	30		FDEDRO
Cn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)[nH]c1=O	ZINC001086794085	942532897	/nfs/dbraw/zinc/53/28/97/942532897.db2.gz	AUDPHTJMSUJNLS-DZGCQCFKSA-N	1	0	371.416	1.825	20	30		FDEDRO
C#C[C@H](NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1)C1CCOCC1	ZINC000856119737	970924178	/nfs/dbraw/zinc/92/41/78/970924178.db2.gz	VXQUVVNUAPFUJB-AQNXPRMDSA-N	1	0	372.513	1.779	20	30		FDEDRO
Cn1cc(Cl)c(CO[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)n1	ZINC000817379202	942731884	/nfs/dbraw/zinc/73/18/84/942731884.db2.gz	VZEKCSMXGGRZPQ-UHFFFAOYSA-N	1	0	363.849	1.872	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1	ZINC001086804250	942758878	/nfs/dbraw/zinc/75/88/78/942758878.db2.gz	ATWYKHXDEXWWEU-WDEREUQCSA-N	1	0	369.263	1.510	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnc(CC)n2C)C1	ZINC001086806330	942803766	/nfs/dbraw/zinc/80/37/66/942803766.db2.gz	NQVBYLSBSKQMIE-JJXSEGSLSA-N	1	0	361.490	1.343	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1)[C@H]1CCCO1	ZINC000817779577	942946386	/nfs/dbraw/zinc/94/63/86/942946386.db2.gz	CCSVEFNYALCKEQ-RTBURBONSA-N	1	0	362.518	1.369	20	30		FDEDRO
C=CCCN(OCc1ccccc1)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1	ZINC000817985662	943118627	/nfs/dbraw/zinc/11/86/27/943118627.db2.gz	MSRYNBKJLLFDKY-AEFFLSMTSA-N	1	0	359.470	1.966	20	30		FDEDRO
C=CCCN(OCc1ccccc1)C(=O)C(=O)N1CCC(C[NH2+]C)CC1	ZINC000817987199	943121369	/nfs/dbraw/zinc/12/13/69/943121369.db2.gz	XVVMQFHIOJGPFA-UHFFFAOYSA-N	1	0	359.470	1.981	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)Nc3ccc(F)cc3OCC#N)C[C@H]2[NH3+])cn1	ZINC000818632298	943311736	/nfs/dbraw/zinc/31/17/36/943311736.db2.gz	GXAIYRNDRKNYJX-UONOGXRCSA-N	1	0	358.377	1.420	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CSc1n[nH]c(-c2ccc(C)cc2)n1	ZINC000818599557	943327967	/nfs/dbraw/zinc/32/79/67/943327967.db2.gz	XKQKTBIMYLVKLU-UHFFFAOYSA-N	1	0	357.483	1.944	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)cc1	ZINC000818949376	943360543	/nfs/dbraw/zinc/36/05/43/943360543.db2.gz	LFVAVKKLVQIADM-MRXNPFEDSA-N	1	0	356.426	1.436	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccn(C(C)C)n3)C2)nn1	ZINC001086823806	943370100	/nfs/dbraw/zinc/37/01/00/943370100.db2.gz	XBQHGJIYJZWZRR-JKSUJKDBSA-N	1	0	371.489	1.930	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CC(F)(F)C3)C2)nn1	ZINC001086823498	943389124	/nfs/dbraw/zinc/38/91/24/943389124.db2.gz	HHRNQSIANGCZAX-GXTWGEPZSA-N	1	0	353.417	1.998	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]CC[S@](=O)Cc2ccccc2)cc1	ZINC000819043826	943392382	/nfs/dbraw/zinc/39/23/82/943392382.db2.gz	VSKQLTLPCKRRPE-CJAUYULYSA-N	1	0	358.463	1.836	20	30		FDEDRO
Cc1cc(C)cc(OC[C@@H](O)C[NH2+]CCNC(=O)C2N=CC=CC2=O)c1	ZINC000819055756	943397118	/nfs/dbraw/zinc/39/71/18/943397118.db2.gz	WTAIJNJMRFWOCJ-IJYGLTAASA-N	1	0	359.426	1.159	20	30		FDEDRO
COc1ccccc1N1CC[C@@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)C1=O	ZINC000819152355	943442948	/nfs/dbraw/zinc/44/29/48/943442948.db2.gz	RPOZZMKVCVGSTC-AEFFLSMTSA-N	1	0	351.406	1.995	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	ZINC000819121199	943449529	/nfs/dbraw/zinc/44/95/29/943449529.db2.gz	SVFMSNCBQVXEJH-AWEZNQCLSA-N	1	0	351.397	1.986	20	30		FDEDRO
C[C@H](CNC(=O)OC(C)(C)C)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1	ZINC000819236318	943476207	/nfs/dbraw/zinc/47/62/07/943476207.db2.gz	GQJUEOXMTGZOQK-CYBMUJFWSA-N	1	0	367.471	1.835	20	30		FDEDRO
COc1cc(C[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)ccc1C#N	ZINC000819323320	943526899	/nfs/dbraw/zinc/52/68/99/943526899.db2.gz	ZKVTVIPMWFLYJJ-QGZVFWFLSA-N	1	0	360.435	1.794	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3cnn(C)c3C2)C1	ZINC001195615412	971081891	/nfs/dbraw/zinc/08/18/91/971081891.db2.gz	WNXXVBFKKCFEHQ-SZVBFZGTSA-N	1	0	362.518	1.657	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1csc3nccn13)C2	ZINC001110104097	944576214	/nfs/dbraw/zinc/57/62/14/944576214.db2.gz	FMONQFUNOTXZIE-KBMXLJTQSA-N	1	0	360.483	1.862	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3nn(C)cc32)C1	ZINC001195640715	971104913	/nfs/dbraw/zinc/10/49/13/971104913.db2.gz	LVZYVKNARBQTHM-KFKAGJAMSA-N	1	0	362.518	1.972	20	30		FDEDRO
NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)/C=C/c2ccc(F)cc2)C1	ZINC001136516611	944760996	/nfs/dbraw/zinc/76/09/96/944760996.db2.gz	DEFKNQYNMQVSRA-PPYMECGQSA-N	1	0	361.417	1.112	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)/C=C\c1ccc(C(N)=O)o1	ZINC000822475418	945016820	/nfs/dbraw/zinc/01/68/20/945016820.db2.gz	CYLDVOASWVZAAG-NTMALXAHSA-N	1	0	366.421	1.854	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](C)C[NH+](C)C)s1	ZINC000823096089	945440707	/nfs/dbraw/zinc/44/07/07/945440707.db2.gz	YMGDMYKELBDPER-GFCCVEGCSA-N	1	0	359.517	1.069	20	30		FDEDRO
C#C[C@H](NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)C1CCOCC1	ZINC000823173279	945517397	/nfs/dbraw/zinc/51/73/97/945517397.db2.gz	RABOQCBJAPEXOU-KRWDZBQOSA-N	1	0	350.507	1.130	20	30		FDEDRO
C#C[C@@H](NC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCOCC1	ZINC000823181815	945523190	/nfs/dbraw/zinc/52/31/90/945523190.db2.gz	OYMCCIXNSBCESI-CTNGQTDRSA-N	1	0	371.481	1.351	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)C1CCOCC1	ZINC000823185619	945531263	/nfs/dbraw/zinc/53/12/63/945531263.db2.gz	DTKDQUKIEDTSCC-RBUKOAKNSA-N	1	0	362.518	1.226	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@@H+](C[C@H](C)c2ccccc2)[C@@H](C)CO)CC1	ZINC000805820140	945626070	/nfs/dbraw/zinc/62/60/70/945626070.db2.gz	FZZHRVFAWRBDQF-OALUTQOASA-N	1	0	357.498	1.250	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3cccnc3)on2)C1	ZINC001195708105	971175764	/nfs/dbraw/zinc/17/57/64/971175764.db2.gz	FUAOVAPSSWPMHD-IAOVAPTHSA-N	1	0	356.426	1.866	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N[C@@H]1CN(c2snc(Cl)c2C#N)C[C@H]1C	ZINC001090745006	946117622	/nfs/dbraw/zinc/11/76/22/946117622.db2.gz	RTVLHXOXICGDGM-ZYHUDNBSSA-N	1	0	355.895	1.951	20	30		FDEDRO
CCCCCC[N@H+](C)CC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C	ZINC001090750637	946224217	/nfs/dbraw/zinc/22/42/17/946224217.db2.gz	KHAYGEVGPUPHFE-NVXWUHKLSA-N	1	0	358.490	1.801	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)n1	ZINC001090751485	946253346	/nfs/dbraw/zinc/25/33/46/946253346.db2.gz	ZJEZLWABRBMZKP-SIIHOXLZSA-N	1	0	358.490	1.438	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[N@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cc1	ZINC000856544550	971223162	/nfs/dbraw/zinc/22/31/62/971223162.db2.gz	OTTSEPNGNKFJNF-IPMKNSEASA-N	1	0	350.422	1.442	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(Cl)cc1COC	ZINC000824551361	946532600	/nfs/dbraw/zinc/53/26/00/946532600.db2.gz	JPZIGJOMATVCBL-UHFFFAOYSA-N	1	0	351.834	1.496	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CN(c2nc(C)ccc2C#N)C[C@H]1C	ZINC001090778137	946567230	/nfs/dbraw/zinc/56/72/30/946567230.db2.gz	NGSNFZCTYFBFBZ-XOKHGSTOSA-N	1	0	361.465	1.883	20	30		FDEDRO
C=CCN1CC[C@]2(CCC[N@@H+](Cc3cnn(C)c3C(=O)OCC)C2)C1=O	ZINC001136904039	946575076	/nfs/dbraw/zinc/57/50/76/946575076.db2.gz	BHQAOKREXSWYIS-IBGZPJMESA-N	1	0	360.458	1.597	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1	ZINC001090790119	946678344	/nfs/dbraw/zinc/67/83/44/946678344.db2.gz	PZGURSIOXUOOMP-NVXWUHKLSA-N	1	0	370.501	1.944	20	30		FDEDRO
C#CCCCCC(=O)N[C@H]1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1	ZINC001573282035	946684348	/nfs/dbraw/zinc/68/43/48/946684348.db2.gz	FAQVZVQZBXJTMB-HNNXBMFYSA-N	1	0	367.457	1.849	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](C2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)C1	ZINC001573282496	946692937	/nfs/dbraw/zinc/69/29/37/946692937.db2.gz	JPAWOYFRUXLXNL-AWEZNQCLSA-N	1	0	353.430	1.002	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1	ZINC000856645605	971282117	/nfs/dbraw/zinc/28/21/17/971282117.db2.gz	BDGHYNYKVMULQC-VQIMIIECSA-N	1	0	359.470	1.940	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CCCCNc1cc(C[N@@H+](C)CCOC)ccn1	ZINC001171070757	946854237	/nfs/dbraw/zinc/85/42/37/946854237.db2.gz	JRWZZVUGJFOEJP-KRWDZBQOSA-N	1	0	364.490	1.799	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001573291537	946921963	/nfs/dbraw/zinc/92/19/63/946921963.db2.gz	FQDGCDZUMXSVCX-DTWKUNHWSA-N	1	0	368.239	1.200	20	30		FDEDRO
CC[C@H](C(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1C)[NH+](CC)CC	ZINC001090815950	946952284	/nfs/dbraw/zinc/95/22/84/946952284.db2.gz	OMNCJDDISGNHNX-KBRIMQKVSA-N	1	0	358.490	1.718	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573561689	946964103	/nfs/dbraw/zinc/96/41/03/946964103.db2.gz	MBXNCLBXAPFHHJ-YPMHNXCESA-N	1	0	357.393	1.198	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1	ZINC001573562955	946980517	/nfs/dbraw/zinc/98/05/17/946980517.db2.gz	YGNYXOGVLCMJQU-LRDDRELGSA-N	1	0	353.430	1.353	20	30		FDEDRO
C=C(Cl)C[NH+]1CCC(CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1	ZINC001573294671	946995179	/nfs/dbraw/zinc/99/51/79/946995179.db2.gz	GBLRCICFFAKQCI-UHFFFAOYSA-N	1	0	363.853	1.779	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573564677	946995313	/nfs/dbraw/zinc/99/53/13/946995313.db2.gz	KACQLOVWAAMCDW-NWDGAFQWSA-N	1	0	357.393	1.104	20	30		FDEDRO
C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1	ZINC001573294757	946997039	/nfs/dbraw/zinc/99/70/39/946997039.db2.gz	GLCQHWBVNVQMKG-ZYHUDNBSSA-N	1	0	363.853	1.635	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)C1	ZINC001573565408	947008702	/nfs/dbraw/zinc/00/87/02/947008702.db2.gz	QTHOBXBTPNBOPZ-RYUDHWBXSA-N	1	0	359.459	1.368	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC1	ZINC001573565871	947017600	/nfs/dbraw/zinc/01/76/00/947017600.db2.gz	WYPBBTPNVASJPK-ZDUSSCGKSA-N	1	0	366.429	1.240	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)C1	ZINC001573566490	947026493	/nfs/dbraw/zinc/02/64/93/947026493.db2.gz	CKLZDGYNULRLNE-RYUDHWBXSA-N	1	0	359.459	1.511	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F	ZINC001573566518	947027179	/nfs/dbraw/zinc/02/71/79/947027179.db2.gz	CRLJPOOGLURJQD-SWLSCSKDSA-N	1	0	371.420	1.636	20	30		FDEDRO
C=C1CC(C)(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1	ZINC001573296902	947056811	/nfs/dbraw/zinc/05/68/11/947056811.db2.gz	ATBPQPHMJPRQLM-MRXNPFEDSA-N	1	0	352.442	1.914	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1CC12CC[NH+](Cc1ccccc1-c1nn[nH]n1)CC2	ZINC001573573525	947123658	/nfs/dbraw/zinc/12/36/58/947123658.db2.gz	OGFQJMLKYXMENZ-CZUORRHYSA-N	1	0	365.441	1.497	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1ccc(-c3nn[nH]n3)s1)CC2	ZINC001573573950	947126415	/nfs/dbraw/zinc/12/64/15/947126415.db2.gz	PXCQIRJQPLNUCK-JDSLSITLSA-N	1	0	371.470	1.701	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCCCC1	ZINC001573575711	947143653	/nfs/dbraw/zinc/14/36/53/947143653.db2.gz	ALXXQLSLTOMRNU-GFCCVEGCSA-N	1	0	354.418	1.074	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC1CC([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573576253	947149460	/nfs/dbraw/zinc/14/94/60/947149460.db2.gz	FWUVWPVYNPEFJQ-IFQILLTASA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CC1(C)C	ZINC001573576210	947149896	/nfs/dbraw/zinc/14/98/96/947149896.db2.gz	FDIHMJUHURPNAW-MFKMUULPSA-N	1	0	359.459	1.414	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)[C@@H](C)C#N)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1	ZINC001573576399	947152292	/nfs/dbraw/zinc/15/22/92/947152292.db2.gz	HLLVKGMVSGYXIV-XHDPSFHLSA-N	1	0	359.409	1.396	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@@H]([NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1	ZINC001573576606	947154155	/nfs/dbraw/zinc/15/41/55/947154155.db2.gz	ICUVFXXSJCLQJU-MEBBXXQBSA-N	1	0	357.393	1.150	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001573305860	947162615	/nfs/dbraw/zinc/16/26/15/947162615.db2.gz	GSVWUHFQXAOBID-RDTXWAMCSA-N	1	0	358.446	1.036	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)c1ccccc1	ZINC001573577995	947177974	/nfs/dbraw/zinc/17/79/74/947177974.db2.gz	WZPWXTRUOVFFHE-LRDDRELGSA-N	1	0	362.397	1.113	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCCC1(C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1	ZINC001573584396	947221751	/nfs/dbraw/zinc/22/17/51/947221751.db2.gz	VFNDTSXWXTWCAD-LBPRGKRZSA-N	1	0	371.420	1.542	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573310676	947226586	/nfs/dbraw/zinc/22/65/86/947226586.db2.gz	ZEKVQQLEUOCBTM-DNVCBOLYSA-N	1	0	370.457	1.227	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573314774	947236533	/nfs/dbraw/zinc/23/65/33/947236533.db2.gz	GXNMZWXQEDWESA-ZIAGYGMSSA-N	1	0	355.446	1.689	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573584969	947241714	/nfs/dbraw/zinc/24/17/14/947241714.db2.gz	IFUDMRLXESWERU-DRZSPHRISA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1	ZINC001573585313	947252054	/nfs/dbraw/zinc/25/20/54/947252054.db2.gz	OFNASRXYRHKCML-APHBMKBZSA-N	1	0	353.430	1.543	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)CC1	ZINC001573586411	947289351	/nfs/dbraw/zinc/28/93/51/947289351.db2.gz	PWZFZMRYFPPMCT-IIAWOOMASA-N	1	0	367.457	1.791	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)C[C@@H](C)n2ccnc2CC)n1	ZINC000843873239	947357069	/nfs/dbraw/zinc/35/70/69/947357069.db2.gz	WXMCPFDNCAOVAA-MRXNPFEDSA-N	1	0	357.458	1.902	20	30		FDEDRO
C=CCC1(C(=O)N(CC)CCNc2cc[nH+]cc2-c2nn[nH]n2)CCC1	ZINC001573326845	947380526	/nfs/dbraw/zinc/38/05/26/947380526.db2.gz	XFSLKCSPSSOBRE-UHFFFAOYSA-N	1	0	355.446	1.690	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CC2OCCCO2)C[C@H]1c1ccc(OC)cc1	ZINC001090870868	947415385	/nfs/dbraw/zinc/41/53/85/947415385.db2.gz	PIJUGFUXYAAGTO-ZWKOTPCHSA-N	1	0	358.438	1.366	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccnn2CC)C[C@H]1c1ccc(OC)cc1	ZINC001090871124	947420864	/nfs/dbraw/zinc/42/08/64/947420864.db2.gz	SJKDWKGEYYMIDC-ZWKOTPCHSA-N	1	0	352.438	1.743	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@H]2NCC#N)cc1	ZINC001090871184	947424630	/nfs/dbraw/zinc/42/46/30/947424630.db2.gz	WNBHGQOZEQUDRM-XUVXKRRUSA-N	1	0	370.497	1.976	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2nnc(C)[nH]2)C[C@H]1c1ccc(OC)cc1	ZINC001090871426	947436359	/nfs/dbraw/zinc/43/63/59/947436359.db2.gz	UKMNEXAVHWAJTP-ZWKOTPCHSA-N	1	0	369.469	1.825	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1c1ccc(OC)cc1	ZINC001090874600	947479127	/nfs/dbraw/zinc/47/91/27/947479127.db2.gz	MQUMJTQVVLNLRZ-CEXWTWQISA-N	1	0	371.481	1.682	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]21	ZINC001573335467	947480194	/nfs/dbraw/zinc/48/01/94/947480194.db2.gz	ORBIOZRVTCWOLX-RRFJBIMHSA-N	1	0	369.473	1.991	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1	ZINC001573335603	947481735	/nfs/dbraw/zinc/48/17/35/947481735.db2.gz	BBDKYRLTXFWHMP-LBPRGKRZSA-N	1	0	362.459	1.211	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@H]1c1ccc(OC)cc1	ZINC001090874510	947528221	/nfs/dbraw/zinc/52/82/21/947528221.db2.gz	DUEBDVNTPKWWNB-RBUKOAKNSA-N	1	0	369.465	1.225	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2ccc(N3CCNC3=O)cc2)CC1	ZINC000843989989	947538137	/nfs/dbraw/zinc/53/81/37/947538137.db2.gz	GFOJYCGWOGPZLD-HNNXBMFYSA-N	1	0	354.454	1.739	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNc1cnc(-c2nn[nH]n2)c(C#N)n1)C(C)C	ZINC001573342333	947542742	/nfs/dbraw/zinc/54/27/42/947542742.db2.gz	WOSBXPICJXBSPW-CQSZACIVSA-N	1	0	353.434	1.639	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCNC(=O)CC2)C[C@H]1c1ccc(OC)cc1	ZINC001090876175	947554547	/nfs/dbraw/zinc/55/45/47/947554547.db2.gz	QQIIWYHCZKMMQH-NZSAHSFTSA-N	1	0	369.465	1.129	20	30		FDEDRO
C=CCOCC(=O)N1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573343249	947554805	/nfs/dbraw/zinc/55/48/05/947554805.db2.gz	LJKFOWRVCIPAQH-HNNXBMFYSA-N	1	0	374.420	1.289	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1	ZINC001573343337	947556438	/nfs/dbraw/zinc/55/64/38/947556438.db2.gz	NEQXZUHSOYWBOI-LBPRGKRZSA-N	1	0	362.459	1.069	20	30		FDEDRO
C=CCOCC(=O)N[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)C(C)(C)C	ZINC001573343801	947563910	/nfs/dbraw/zinc/56/39/10/947563910.db2.gz	SUTDOBPETGICCO-MRXNPFEDSA-N	1	0	372.473	1.690	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cncnc2)C[C@H]1c1ccc(OC)cc1	ZINC001090879304	947573371	/nfs/dbraw/zinc/57/33/71/947573371.db2.gz	KHGWZELEWPVNOB-RYGJVYDSSA-N	1	0	364.449	1.806	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cncnc2CC)C[C@H]1c1ccc(OC)cc1	ZINC001090885052	947655450	/nfs/dbraw/zinc/65/54/50/947655450.db2.gz	BWDZBSLGWYLAAT-AZUAARDMSA-N	1	0	364.449	1.879	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1	ZINC001573359073	947675903	/nfs/dbraw/zinc/67/59/03/947675903.db2.gz	VNHCBAFYRANVME-RHSMWYFYSA-N	1	0	367.457	1.535	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]2C1	ZINC001573359030	947676231	/nfs/dbraw/zinc/67/62/31/947676231.db2.gz	UUZSYNXGTJJDLK-BFHYXJOUSA-N	1	0	353.430	1.048	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]21	ZINC001573359376	947685427	/nfs/dbraw/zinc/68/54/27/947685427.db2.gz	ZXFBISOJNDCBIX-VHDGCEQUSA-N	1	0	353.430	1.048	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cnn(C)c2)C[C@H]1c1ccc(OC)cc1	ZINC001090888563	947711869	/nfs/dbraw/zinc/71/18/69/947711869.db2.gz	PVSMNERFASFLEN-UIAACRFSSA-N	1	0	366.465	1.750	20	30		FDEDRO
C/C(=C\C(=O)NCC[NH2+]CCO)C(=O)c1ccc(Br)cc1	ZINC001143886837	947961930	/nfs/dbraw/zinc/96/19/30/947961930.db2.gz	IZQZKXNQOMTCEE-ZHACJKMWSA-N	1	0	355.232	1.276	20	30		FDEDRO
C[N@H+](C[C@H](O)CCNC(=O)OC(C)(C)C)C[C@H](O)c1cccc(C#N)c1	ZINC000844371626	947999896	/nfs/dbraw/zinc/99/98/96/947999896.db2.gz	PCTITFKNGCAAMU-SJORKVTESA-N	1	0	363.458	1.799	20	30		FDEDRO
C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H](O)c1cccc(C#N)c1	ZINC000844372398	948001865	/nfs/dbraw/zinc/00/18/65/948001865.db2.gz	YAWNFRDYBPAZKO-SJLPKXTDSA-N	1	0	371.393	1.872	20	30		FDEDRO
C[C@@H](C#N)OCC[NH+]1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1	ZINC000844356675	948009543	/nfs/dbraw/zinc/00/95/43/948009543.db2.gz	IMRHFYXINHIZHW-LSDHHAIUSA-N	1	0	365.474	1.570	20	30		FDEDRO
C[N@H+](CCc1ccc(S(N)(=O)=O)cc1)C[C@@H](O)c1cccc(C#N)c1	ZINC000844368524	948018958	/nfs/dbraw/zinc/01/89/58/948018958.db2.gz	YCQSWILPSHLGRH-GOSISDBHSA-N	1	0	359.451	1.414	20	30		FDEDRO
N#Cc1cncc(C[NH+]2CCC3(C[C@@H](C(=O)NC4CCC4)CO3)CC2)c1	ZINC001144080292	948200818	/nfs/dbraw/zinc/20/08/18/948200818.db2.gz	HQIAOWXNOSDFMI-QGZVFWFLSA-N	1	0	354.454	1.993	20	30		FDEDRO
C=C(C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)C(F)(F)F	ZINC001144214944	948390210	/nfs/dbraw/zinc/39/02/10/948390210.db2.gz	BWXNHPBSTVBWOX-UHFFFAOYSA-N	1	0	363.361	1.051	20	30		FDEDRO
Cc1cc(N2C[C@H]3OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]3C2)c(C#N)cn1	ZINC001091046221	948605953	/nfs/dbraw/zinc/60/59/53/948605953.db2.gz	FEWAGRIJWALQMS-ZWKOTPCHSA-N	1	0	357.458	1.018	20	30		FDEDRO
N#Cc1cnccc1N1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1	ZINC001091045283	948632017	/nfs/dbraw/zinc/63/20/17/948632017.db2.gz	GNPURKJGASNZDB-RBUKOAKNSA-N	1	0	369.469	1.245	20	30		FDEDRO
C[NH+](C)CCC(=O)N1CCO[C@@H]2CN(c3nc(C#N)c(Cl)s3)C[C@@H]21	ZINC001091056262	948803525	/nfs/dbraw/zinc/80/35/25/948803525.db2.gz	IXLKKKGGVNBHNT-NWDGAFQWSA-N	1	0	369.878	1.036	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@H](Cc1ccccc1)c1nccn1C	ZINC000845220392	948825375	/nfs/dbraw/zinc/82/53/75/948825375.db2.gz	IESUZCOHQNGGJJ-GOSISDBHSA-N	1	0	353.470	1.958	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccncc1C#N	ZINC000845238542	948926122	/nfs/dbraw/zinc/92/61/22/948926122.db2.gz	JGVCILWXPPSFIK-OAHLLOKOSA-N	1	0	362.430	1.841	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)ccc1F	ZINC000857008257	971529272	/nfs/dbraw/zinc/52/92/72/971529272.db2.gz	FRIWFKYPKNPFCJ-SUMWQHHRSA-N	1	0	367.446	1.243	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)cc2OC)C1	ZINC001196251291	971569411	/nfs/dbraw/zinc/56/94/11/971569411.db2.gz	HCZRHCQONWGYFF-HUUCEWRRSA-N	1	0	351.447	1.541	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@@H]1O	ZINC001091132688	949518663	/nfs/dbraw/zinc/51/86/63/949518663.db2.gz	FFSOJNMWHQQZNC-CABCVRRESA-N	1	0	365.865	1.004	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)CN(C[N@H+](C[C@H]3CCOC3)C3CC3)C2=O)cc1	ZINC000102390250	971589728	/nfs/dbraw/zinc/58/97/28/971589728.db2.gz	LEYXYFQPDCOTAJ-QGZVFWFLSA-N	1	0	368.437	1.781	20	30		FDEDRO
C[C@](CO)(NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CC1	ZINC000845743812	949878235	/nfs/dbraw/zinc/87/82/35/949878235.db2.gz	LVDHRGQEIPHOHK-HXUWFJFHSA-N	1	0	356.470	1.983	20	30		FDEDRO
C[C@H](CNC(=O)c1c[nH]c(C#N)c1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1	ZINC001574982569	950172928	/nfs/dbraw/zinc/17/29/28/950172928.db2.gz	DOSHPDRTJJXWAZ-GFCCVEGCSA-N	1	0	364.413	1.317	20	30		FDEDRO
C#CCN(CC#C)C(=O)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1	ZINC000845936905	950217925	/nfs/dbraw/zinc/21/79/25/950217925.db2.gz	JORLNCWWHWTNER-UHFFFAOYSA-N	1	0	369.490	1.908	20	30		FDEDRO
C[C@@H]1C(=O)N(N=Cc2c(Cl)cccc2N2CC[NH+](C)CC2)C(=O)N1C	ZINC000857217759	971653509	/nfs/dbraw/zinc/65/35/09/971653509.db2.gz	XAZSMOFUIPGKOS-GFCCVEGCSA-N	1	0	363.849	1.708	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[NH2+][C@H](c1ccncc1)C1(CO)CCC1	ZINC001196439910	971671333	/nfs/dbraw/zinc/67/13/33/971671333.db2.gz	FSNXDFKFKCDHKU-GOSISDBHSA-N	1	0	355.442	1.531	20	30		FDEDRO
C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001574996701	950535869	/nfs/dbraw/zinc/53/58/69/950535869.db2.gz	ORIJLBUFUVXQLJ-SNVBAGLBSA-N	1	0	368.376	1.114	20	30		FDEDRO
C[NH2+]Cc1ccccc1CNC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N	ZINC000846323918	950924455	/nfs/dbraw/zinc/92/44/55/950924455.db2.gz	WTVSKKHKHPSOSI-CQSZACIVSA-N	1	0	366.421	1.952	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@@H]1CN([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1O	ZINC001196475449	971702573	/nfs/dbraw/zinc/70/25/73/971702573.db2.gz	WAMQMQCUEMJTBZ-RBSFLKMASA-N	1	0	351.491	1.149	20	30		FDEDRO
C[NH+](C)CCN1CCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1=O	ZINC000846356223	950989956	/nfs/dbraw/zinc/98/99/56/950989956.db2.gz	CABASQCXUNENSY-UHFFFAOYSA-N	1	0	367.371	1.289	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)c1	ZINC001571004028	951134445	/nfs/dbraw/zinc/13/44/45/951134445.db2.gz	BXZVPEDGWORMNE-HNNXBMFYSA-N	1	0	362.397	1.071	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)c[nH]1	ZINC001571004216	951138577	/nfs/dbraw/zinc/13/85/77/951138577.db2.gz	FZUVZKVCCCHNMA-OAHLLOKOSA-N	1	0	362.397	1.071	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](CC2(OC)CCC2)C(=O)OCC)CC1	ZINC000846517736	951222442	/nfs/dbraw/zinc/22/24/42/951222442.db2.gz	TVRJJIQQRVDXNO-INIZCTEOSA-N	1	0	350.459	1.339	20	30		FDEDRO
Cc1nsc(N[C@@H]2CCCC[C@H]2NC(=O)COCC[NH+](C)C)c1C#N	ZINC001091269296	951254668	/nfs/dbraw/zinc/25/46/68/951254668.db2.gz	PKPYRDGUEGMFDR-HUUCEWRRSA-N	1	0	365.503	1.741	20	30		FDEDRO
C[N@@H+]1CC[C@@H](Nc2cnc(-c3nn[nH]n3)c(C#N)n2)[C@@H]1c1ccc(F)cc1	ZINC001571014524	951288300	/nfs/dbraw/zinc/28/83/00/951288300.db2.gz	DHGLFSVVJBQMGD-WBMJQRKESA-N	1	0	365.376	1.525	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2cc3n(n2)CCC3)C1	ZINC001091278429	951295036	/nfs/dbraw/zinc/29/50/36/951295036.db2.gz	OXTFOWWYVZBRQS-BURPLHJFSA-N	1	0	358.486	1.795	20	30		FDEDRO
Cc1[nH]nc(NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)c1C#N	ZINC000846641209	951399309	/nfs/dbraw/zinc/39/93/09/951399309.db2.gz	ZNCPNKDWTYLLGR-LBPRGKRZSA-N	1	0	350.423	1.373	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NCCC[N@H+](C)CC(C)C)cc1C#N	ZINC000846740133	951546937	/nfs/dbraw/zinc/54/69/37/951546937.db2.gz	ZAWPDZYTCKCERT-UHFFFAOYSA-N	1	0	360.458	1.277	20	30		FDEDRO
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)NC1CCC([NH+](C)C)CC1	ZINC000846740821	951548331	/nfs/dbraw/zinc/54/83/31/951548331.db2.gz	OKBWELZPIBFIHV-ABHNRTSZSA-N	1	0	372.469	1.039	20	30		FDEDRO
COC(=O)c1cc(NC(=[NH2+])c2ccc(C(N)=O)cc2)c(N(C)C)cc1OC	ZINC001171256678	951667946	/nfs/dbraw/zinc/66/79/46/951667946.db2.gz	RDLSDMDOFUAOPC-UHFFFAOYSA-N	1	0	370.409	1.684	20	30		FDEDRO
COc1ccccc1-n1cc(NC(=[NH2+])c2ccc(C(N)=O)cc2)ccc1=O	ZINC001171258506	951725660	/nfs/dbraw/zinc/72/56/60/951725660.db2.gz	BANLDCKTEVFYKJ-UHFFFAOYSA-N	1	0	362.389	1.982	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ccccn4)C[C@]3(C)C2)C1=O	ZINC001091431152	951732344	/nfs/dbraw/zinc/73/23/44/951732344.db2.gz	MDZNAVSCLWRPHB-MDYRTPRTSA-N	1	0	354.454	1.262	20	30		FDEDRO
N#Cc1cccnc1C(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12	ZINC001196554339	971771842	/nfs/dbraw/zinc/77/18/42/971771842.db2.gz	BPPMUURVTRRHGS-FCEWJHQRSA-N	1	0	363.421	1.762	20	30		FDEDRO
C#C[C@@H]1CCC[N@@H+](CC(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)C1	ZINC000847021705	951774389	/nfs/dbraw/zinc/77/43/89/951774389.db2.gz	AYOOKWLHEVSYCY-QZTJIDSGSA-N	1	0	359.514	1.829	20	30		FDEDRO
C#C[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C1	ZINC000847033419	951782983	/nfs/dbraw/zinc/78/29/83/951782983.db2.gz	WWVNRQVBWURLDZ-KGLIPLIRSA-N	1	0	357.410	1.840	20	30		FDEDRO
Cc1cc(N(C)CC2CCN(C(=O)[C@H](C)C#N)CC2)c(-c2nn[nH]n2)c[nH+]1	ZINC001571052117	951818261	/nfs/dbraw/zinc/81/82/61/951818261.db2.gz	OBDLLDVFHUBDNA-GFCCVEGCSA-N	1	0	368.445	1.405	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ccccc4O)C[C@]3(C)C2)C1=O	ZINC001091496550	951879410	/nfs/dbraw/zinc/87/94/10/951879410.db2.gz	NABDJOWSSBQBTN-KUDFPVQQSA-N	1	0	369.465	1.573	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cccc(C)n4)C[C@]3(C)C2)C1=O	ZINC001091490716	951897178	/nfs/dbraw/zinc/89/71/78/951897178.db2.gz	XXGCHSUGSOKIHY-BLIXFSHQSA-N	1	0	368.481	1.571	20	30		FDEDRO
C[C@]12CN(C(=O)CCn3cncn3)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001091491754	951898053	/nfs/dbraw/zinc/89/80/53/951898053.db2.gz	SDFKLKBPABDJLQ-QUCCMNQESA-N	1	0	364.453	1.520	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)/C=C(\C)C4CC4)C[C@]3(C)C2)C1=O	ZINC001091516420	951918242	/nfs/dbraw/zinc/91/82/42/951918242.db2.gz	XPCMISJNAHGDGH-IEYQLXCCSA-N	1	0	357.498	1.910	20	30		FDEDRO
C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1cc(C#N)c[nH]1	ZINC001575108329	951924107	/nfs/dbraw/zinc/92/41/07/951924107.db2.gz	LLINATYEDGZSQC-GFCCVEGCSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]Cc1cccc(C#N)c1	ZINC001575114007	951950458	/nfs/dbraw/zinc/95/04/58/951950458.db2.gz	KEJWRFDHUGJPMJ-GFCCVEGCSA-N	1	0	364.413	1.222	20	30		FDEDRO
C[NH+](C)CCNC(=O)[C@H](Cc1cccc(C#N)c1)NC(=O)OC(C)(C)C	ZINC001146470673	952084672	/nfs/dbraw/zinc/08/46/72/952084672.db2.gz	HZMJWVQBTZDMTN-INIZCTEOSA-N	1	0	360.458	1.672	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCN(C(=O)[C@@H](C)Oc2cccc(C)c2)CC1	ZINC001146487889	952094425	/nfs/dbraw/zinc/09/44/25/952094425.db2.gz	DYDLZIJNJKUIDT-QGZVFWFLSA-N	1	0	359.470	1.551	20	30		FDEDRO
C[C@]12CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]1C[N@H+](CCc1ccns1)C2	ZINC001091575300	952114929	/nfs/dbraw/zinc/11/49/29/952114929.db2.gz	YIDQFTVIXWLYFF-KDOFPFPSSA-N	1	0	355.467	1.979	20	30		FDEDRO
N#Cc1nccc(N[C@@H]2CC[C@H](CNC(=O)CCCC[NH+]3CCCC3)C2)n1	ZINC001091586181	952164298	/nfs/dbraw/zinc/16/42/98/952164298.db2.gz	LYJAGDRGNWVOEX-DLBZAZTESA-N	1	0	370.501	1.733	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001571085087	952195048	/nfs/dbraw/zinc/19/50/48/952195048.db2.gz	OCGJRJDMSZKIPW-STQMWFEESA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@]12CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]1C[N@H+](C[C@@H]1CCc3ncnn31)C2	ZINC001091613195	952305337	/nfs/dbraw/zinc/30/53/37/952305337.db2.gz	NBBRWHNIFSGPRS-ALKREAHSSA-N	1	0	365.441	1.059	20	30		FDEDRO
COc1ccc(N2CCC([NH2+]CCNC(=O)C3N=CC=CC3=O)CC2)cc1	ZINC000772983135	952481498	/nfs/dbraw/zinc/48/14/98/952481498.db2.gz	KBHBEYFPWKIOLC-FMQUCBEESA-N	1	0	370.453	1.780	20	30		FDEDRO
Cn1cc(C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@@]3(C)C2)nn1	ZINC001091646576	952482491	/nfs/dbraw/zinc/48/24/91/952482491.db2.gz	VMEYXPLRLLFXIT-APWZRJJASA-N	1	0	350.426	1.281	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@@]3(C)C2)[nH]1	ZINC001091661854	952526378	/nfs/dbraw/zinc/52/63/78/952526378.db2.gz	QATJJMXPOXDBEZ-XLIONFOSSA-N	1	0	364.453	1.508	20	30		FDEDRO
C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cccc(N2CCOC2=O)c1	ZINC000772985618	952535503	/nfs/dbraw/zinc/53/55/03/952535503.db2.gz	TVGKDXQFKPHIGA-BZSIDJSBSA-N	1	0	370.409	1.820	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)C[C@]2(C)C1	ZINC001091668913	952560759	/nfs/dbraw/zinc/56/07/59/952560759.db2.gz	VKFQEKWQFRYIJD-QINHECLXSA-N	1	0	371.485	1.509	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNc1ncc(C#N)cc1F	ZINC001091672682	952596332	/nfs/dbraw/zinc/59/63/32/952596332.db2.gz	RXUYLAKZNPJKMC-GDBMZVCRSA-N	1	0	363.437	1.319	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CN(c4ccccn4)C[C@H]3C)C[C@]2(C)C1	ZINC001091678377	952609035	/nfs/dbraw/zinc/60/90/35/952609035.db2.gz	CXZXAHOSUIOCDX-YXTQBTIXSA-N	1	0	366.509	1.958	20	30		FDEDRO
COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000772985915	952626271	/nfs/dbraw/zinc/62/62/71/952626271.db2.gz	UWULPTJOYOFPQP-ROHOOWMXSA-N	1	0	372.425	1.831	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)C(C)(C)C)C[C@]2(C)C1	ZINC001091692804	952645962	/nfs/dbraw/zinc/64/59/62/952645962.db2.gz	SOFQYGFCALALRV-WWMYMODYSA-N	1	0	359.514	1.827	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1	ZINC001091702186	952669786	/nfs/dbraw/zinc/66/97/86/952669786.db2.gz	TXKFDDBILWNEAF-VFVRVIDISA-N	1	0	367.877	1.351	20	30		FDEDRO
CN1C[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@@]3(C)C2)CC1=O	ZINC001091714604	952708977	/nfs/dbraw/zinc/70/89/77/952708977.db2.gz	AKLURKPLIRBUOU-OPYAIIAOSA-N	1	0	366.465	1.317	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H]2CN(C(=O)c3cnn4c3cccc4OC)C[C@]2(C)C1	ZINC001091715357	952711816	/nfs/dbraw/zinc/71/18/16/952711816.db2.gz	YQSSTIDYKVGFMC-QRWLVFNGSA-N	1	0	352.438	1.760	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CCOCC(F)F)C2	ZINC001148418570	952725531	/nfs/dbraw/zinc/72/55/31/952725531.db2.gz	QTXUGKWXVQPAIW-HOCLYGCPSA-N	1	0	358.429	1.784	20	30		FDEDRO
CC[NH+](CC)CCCNC(=S)N1CCN(c2cc(C#N)ccn2)CC1	ZINC001196676735	971862753	/nfs/dbraw/zinc/86/27/53/971862753.db2.gz	QZYSEPGNSPECEZ-UHFFFAOYSA-N	1	0	360.531	1.682	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CNC(=O)c4ccccc43)C[C@]2(C)C1	ZINC001091746317	952786240	/nfs/dbraw/zinc/78/62/40/952786240.db2.gz	FJQBFKDZXDXIHW-FPDPHYFHSA-N	1	0	353.466	1.870	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cc(C)no3)C[C@@]2(C)C1	ZINC001091748195	952794034	/nfs/dbraw/zinc/79/40/34/952794034.db2.gz	FCCSTJFAAJFDGO-KPFFTGBYSA-N	1	0	356.470	1.361	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc4c(c3)NC(=O)CO4)C[C@]2(C)C1	ZINC001091756457	952823791	/nfs/dbraw/zinc/82/37/91/952823791.db2.gz	LXRRYIFQYMWWJR-QRWLVFNGSA-N	1	0	353.422	1.435	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C	ZINC000282783648	952860017	/nfs/dbraw/zinc/86/00/17/952860017.db2.gz	OZGHFGPJQKOXDP-KRWDZBQOSA-N	1	0	358.486	1.889	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnnn3CC)C2)cn1	ZINC001086857717	952876385	/nfs/dbraw/zinc/87/63/85/952876385.db2.gz	RWOZNWMIIWMXKQ-WMLDXEAASA-N	1	0	352.442	1.363	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc3c(cn2)nc[nH]c3=O)C1	ZINC001086865564	952896044	/nfs/dbraw/zinc/89/60/44/952896044.db2.gz	YEIHRYIGDXGVBV-NWDGAFQWSA-N	1	0	361.833	1.971	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc4n(n3)CCC4)C2)nc1	ZINC001086856959	952903800	/nfs/dbraw/zinc/90/38/00/952903800.db2.gz	CVLJBBNFJWOMFT-DLBZAZTESA-N	1	0	363.465	1.894	20	30		FDEDRO
Cc1cccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2c2cnn(C)c2)c1	ZINC001086971016	952972851	/nfs/dbraw/zinc/97/28/51/952972851.db2.gz	SRQMAGRBPGEMJO-ZYSHUDEJSA-N	1	0	351.454	1.972	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001086971318	952973796	/nfs/dbraw/zinc/97/37/96/952973796.db2.gz	JBYRTEMYGPRSTI-MDASCCDHSA-N	1	0	362.437	1.536	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccc(CO)cc2)C1	ZINC001086971518	952974313	/nfs/dbraw/zinc/97/43/13/952974313.db2.gz	RDGUIBGEAQRIOT-ZOCIIQOWSA-N	1	0	367.453	1.156	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCc2ccns2)C1	ZINC001086971480	952974444	/nfs/dbraw/zinc/97/44/44/952974444.db2.gz	PKZWZHOWGYQSQD-UHOFOFEASA-N	1	0	358.471	1.163	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)n(C)n2)C[C@H]1c1cnn(C)c1	ZINC001086978396	952990524	/nfs/dbraw/zinc/99/05/24/952990524.db2.gz	UOYZZIYAEZAAGC-DOTOQJQBSA-N	1	0	354.458	1.108	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnc(OC(C)C)cn2)C[C@H]1c1cnn(C)c1	ZINC001086979399	952992681	/nfs/dbraw/zinc/99/26/81/952992681.db2.gz	YGNBUYGCMVQADF-DOTOQJQBSA-N	1	0	370.457	1.381	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc3ccccc3n2)C[C@H]1c1cnn(C)c1	ZINC001086982384	952994971	/nfs/dbraw/zinc/99/49/71/952994971.db2.gz	GHILRUMIOMNCCW-HNAYVOBHSA-N	1	0	360.421	1.194	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn3ccc(C)cc23)C[C@H]1c1cnn(C)c1	ZINC001086983320	952996803	/nfs/dbraw/zinc/99/68/03/952996803.db2.gz	ICAVOBDVDIMKSZ-ZWKOTPCHSA-N	1	0	362.437	1.207	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2ccncc2)C[C@H]1c1cnn(C)c1	ZINC001086984498	952999017	/nfs/dbraw/zinc/99/90/17/952999017.db2.gz	QHPAXMSASUHRGE-AYOQOUSVSA-N	1	0	351.454	1.526	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2C2CCC2)C[C@H]1c1cnn(C)c1	ZINC001086985096	953001374	/nfs/dbraw/zinc/00/13/74/953001374.db2.gz	UBCLCTSXYGUFRM-FUHWJXTLSA-N	1	0	368.485	1.805	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)nc2)C[C@H]1c1cnn(C)c1	ZINC001086985355	953002284	/nfs/dbraw/zinc/00/22/84/953002284.db2.gz	GJEAHJJQCPXPBB-ZWKOTPCHSA-N	1	0	368.485	1.655	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cncc3[nH]ccc32)C[C@H]1c1cnn(C)c1	ZINC001086985905	953003881	/nfs/dbraw/zinc/00/38/81/953003881.db2.gz	KUTWBAZUCADYCL-FUHWJXTLSA-N	1	0	350.426	1.680	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)cc(OC)c2C)C[C@H]1c1cnn(C)c1	ZINC001086986621	953007042	/nfs/dbraw/zinc/00/70/42/953007042.db2.gz	YUBGDZHXSQCXPO-RBUKOAKNSA-N	1	0	366.465	1.877	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2ccc(C)n2)C[C@H]1c1cnn(C)c1	ZINC001086990915	953019261	/nfs/dbraw/zinc/01/92/61/953019261.db2.gz	ABDWCOLAQYJAAS-BPQIPLTHSA-N	1	0	354.458	1.094	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2ccc(C)n2)C[C@H]1c1cnn(C)c1	ZINC001086991219	953019803	/nfs/dbraw/zinc/01/98/03/953019803.db2.gz	QVNWXVLJTRMFLD-RYQLBKOJSA-N	1	0	356.474	1.646	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cncc3sccc32)C[C@H]1c1cnn(C)c1	ZINC001086993173	953026121	/nfs/dbraw/zinc/02/61/21/953026121.db2.gz	KPNBRCVQLVGQHH-DLBZAZTESA-N	1	0	365.462	1.861	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)n(CC)n2)C[C@H]1c1cnn(C)c1	ZINC001086981851	953033829	/nfs/dbraw/zinc/03/38/29/953033829.db2.gz	GTTHGSCUGXPQNC-FUHWJXTLSA-N	1	0	366.469	1.345	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3nc[nH]c32)C[C@H]1c1cnn(C)c1	ZINC001086995921	953035566	/nfs/dbraw/zinc/03/55/66/953035566.db2.gz	DCCBPEKYAACZGT-XYJFISCASA-N	1	0	368.485	1.723	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(-c3ccco3)n[nH]2)C[C@H]1c1cnn(C)c1	ZINC001086998358	953042523	/nfs/dbraw/zinc/04/25/23/953042523.db2.gz	GJDUSDYYXIKXLO-WMLDXEAASA-N	1	0	364.409	1.234	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3cc(F)ccc3O2)C[C@H]1c1cnn(C)c1	ZINC001086999509	953046913	/nfs/dbraw/zinc/04/69/13/953046913.db2.gz	JMNAIIBINFTAAQ-SCTDSRPQSA-N	1	0	368.412	1.080	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CC2CC3(CCC3)C2)C[C@H]1O	ZINC001196692125	971891868	/nfs/dbraw/zinc/89/18/68/971891868.db2.gz	VPTZMIGWHQIJIF-RCCFBDPRSA-N	1	0	363.502	1.199	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC=C)C2)cc1	ZINC001087000677	953051965	/nfs/dbraw/zinc/05/19/65/953051965.db2.gz	JHXINIPVMBXKGV-VQTJNVASSA-N	1	0	364.449	1.816	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccn3ccnc23)C[C@H]1c1cnn(C)c1	ZINC001087001344	953055053	/nfs/dbraw/zinc/05/50/53/953055053.db2.gz	PHPVINZFAWETPI-DLBZAZTESA-N	1	0	350.426	1.452	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC)C1	ZINC001087005004	953063580	/nfs/dbraw/zinc/06/35/80/953063580.db2.gz	HPBLHCQHOLEKMS-JKSUJKDBSA-N	1	0	355.442	1.598	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3ccco3)C[C@H]2OCC)C1=O	ZINC001087019166	953079172	/nfs/dbraw/zinc/07/91/72/953079172.db2.gz	MTKWYIGSZDPYPI-BFYDXBDKSA-N	1	0	361.442	1.133	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cccc(OC)c2)C[C@H]1c1cnn(C)c1	ZINC001087008703	953096449	/nfs/dbraw/zinc/09/64/49/953096449.db2.gz	UDCIPLIFZUIJJD-RBUKOAKNSA-N	1	0	352.438	1.189	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cncc3ccccc32)C[C@H]1c1cnn(C)c1	ZINC001087010537	953101753	/nfs/dbraw/zinc/10/17/53/953101753.db2.gz	GCEYGKYRVGDQMQ-VQTJNVASSA-N	1	0	359.433	1.799	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc3oc(C)nc32)C[C@H]1c1cnn(C)c1	ZINC001087011655	953104576	/nfs/dbraw/zinc/10/45/76/953104576.db2.gz	ITNYMCRIPZLREE-DLBZAZTESA-N	1	0	363.421	1.701	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C2CCOCC2)C[C@H]1c1cnn(C)c1	ZINC001087012509	953107173	/nfs/dbraw/zinc/10/71/73/953107173.db2.gz	BBADJHRLEDRLIM-ZYSHUDEJSA-N	1	0	360.502	1.943	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C(F)F)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001087013525	953108799	/nfs/dbraw/zinc/10/87/99/953108799.db2.gz	YEZSJQCSOLXZNM-UKRRQHHQSA-N	1	0	355.360	1.916	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H]2CCCO2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087022982	953137945	/nfs/dbraw/zinc/13/79/45/953137945.db2.gz	NXXZHLIWTBMVHX-CEXWTWQISA-N	1	0	357.454	1.690	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1nccn1C(F)F	ZINC001087035460	953145210	/nfs/dbraw/zinc/14/52/10/953145210.db2.gz	AZEVZPQQQVROEV-JHJVBQTASA-N	1	0	355.389	1.391	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1cnc(Cl)s1	ZINC001087035630	953145657	/nfs/dbraw/zinc/14/56/57/953145657.db2.gz	ICSLURMCTRJEDI-DMDPSCGWSA-N	1	0	356.879	1.909	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1cccc(Cl)n1	ZINC001087035788	953145698	/nfs/dbraw/zinc/14/56/98/953145698.db2.gz	MTONMGJVGKIUMT-UMVBOHGHSA-N	1	0	350.850	1.848	20	30		FDEDRO
CCCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2OCC)s1	ZINC001087035798	953146185	/nfs/dbraw/zinc/14/61/85/953146185.db2.gz	MZGFLIGJCVUHOI-MGPQQGTHSA-N	1	0	365.503	1.603	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)Cc2ccon2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087036410	953147670	/nfs/dbraw/zinc/14/76/70/953147670.db2.gz	NTGZIPVMWGLARM-IEBWSBKVSA-N	1	0	368.437	1.742	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087037944	953151409	/nfs/dbraw/zinc/15/14/09/953151409.db2.gz	JZWTZPOAGUCCCZ-IEBWSBKVSA-N	1	0	367.453	1.477	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]C[C@H]1CCCOC1	ZINC001087040146	953156830	/nfs/dbraw/zinc/15/68/30/953156830.db2.gz	UECFYFJPFMXLOF-QGPMSJSTSA-N	1	0	360.458	1.380	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001087052663	953183965	/nfs/dbraw/zinc/18/39/65/953183965.db2.gz	GGKMJKCQQZAUEN-NVXWUHKLSA-N	1	0	371.416	1.687	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1cccnc1OC	ZINC001087053233	953185181	/nfs/dbraw/zinc/18/51/81/953185181.db2.gz	DJCVPVYOZCKOJH-QZTJIDSGSA-N	1	0	357.454	1.457	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1conc1CC	ZINC001087045943	953192703	/nfs/dbraw/zinc/19/27/03/953192703.db2.gz	BGDCTSCGPWVPHW-FZKQIMNGSA-N	1	0	371.441	1.704	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]C[C@H]2CCOC2)[C@H](OCC)C1	ZINC001087059682	953202203	/nfs/dbraw/zinc/20/22/03/953202203.db2.gz	PTUQKLXQTZSCLH-ZHALLVOQSA-N	1	0	361.486	1.777	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2CCCC2)[C@H](OCC)C1	ZINC001087060107	953202979	/nfs/dbraw/zinc/20/29/79/953202979.db2.gz	NWWIESRLFXAJBQ-HSALFYBXSA-N	1	0	361.530	1.727	20	30		FDEDRO
C=C[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2cnon2)[C@H](OCC)C1)c1ccccc1	ZINC001087102414	953274878	/nfs/dbraw/zinc/27/48/78/953274878.db2.gz	BSFHFYFUEOQBFJ-BHIYHBOVSA-N	1	0	370.453	1.993	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4[nH]c(C)cc4C)C[C@]3(C)C2)C1=O	ZINC001091789665	953309328	/nfs/dbraw/zinc/30/93/28/953309328.db2.gz	MXDXQRVAHBKJJZ-WWMYMODYSA-N	1	0	370.497	1.812	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc4c(c3)CCC(=O)N4)C[C@]2(C)C1	ZINC001091839320	953402749	/nfs/dbraw/zinc/40/27/49/953402749.db2.gz	GRVLWUDMXZVGOW-UTKZUKDTSA-N	1	0	351.450	1.989	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CCN(c3ccc(C#N)nc3)C[C@H]2C1	ZINC001091866504	953614814	/nfs/dbraw/zinc/61/48/14/953614814.db2.gz	ZVVTWQXJJFZZEU-CVEARBPZSA-N	1	0	355.486	1.968	20	30		FDEDRO
Cc1ccc(C#N)c(N2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@@H]3C2)n1	ZINC001091868305	953619159	/nfs/dbraw/zinc/61/91/59/953619159.db2.gz	NKNUMRDXBHOYSB-MSOLQXFVSA-N	1	0	355.486	1.888	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3CCNC3=O)C[C@H]1C[N@H+](Cc1ccc(C#N)s1)C2	ZINC001091910524	953695864	/nfs/dbraw/zinc/69/58/64/953695864.db2.gz	ADKJCRHOUAHETD-MRAWALMUSA-N	1	0	358.467	1.036	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@H]2C[N@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1	ZINC001091917611	953709463	/nfs/dbraw/zinc/70/94/63/953709463.db2.gz	ZEXJAKAXRSNLAP-MDZRGWNJSA-N	1	0	368.543	1.804	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@H]3C[N@@H+]([C@H]4CCC(=O)NC4=O)C[C@@]3(C)C2)CC1	ZINC001091978900	953974597	/nfs/dbraw/zinc/97/45/97/953974597.db2.gz	KKMSGOMXSWNVMY-GUXCAODWSA-N	1	0	359.470	1.318	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@H]1CCN(c2nccnc2C#N)[C@@H]1C)[NH+]1CCCCC1	ZINC001091979399	953976648	/nfs/dbraw/zinc/97/66/48/953976648.db2.gz	DFZKENSDVSSYPV-RYRKJORJSA-N	1	0	370.501	1.942	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4[nH]c(C)nc4C)C[C@]3(C)C2)C1=O	ZINC001092022741	954096839	/nfs/dbraw/zinc/09/68/39/954096839.db2.gz	CBCFTRQWZSAKTO-GUXCAODWSA-N	1	0	371.485	1.207	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCc3cnn(CC)c3)C[C@@]2(C)C1	ZINC001092030394	954130364	/nfs/dbraw/zinc/13/03/64/954130364.db2.gz	YMDNAELYVFXTQU-BNDYYXHWSA-N	1	0	372.513	1.817	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@H]3C[N@@H+](Cc4cncn4C)C[C@@]3(C)C2)nn1	ZINC001092085384	954236306	/nfs/dbraw/zinc/23/63/06/954236306.db2.gz	LLNIXNUNCSOFKY-BEFAXECRSA-N	1	0	369.473	1.182	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3csc(-c4nc[nH]n4)n3)C[C@]2(C)C1	ZINC001092094737	954271789	/nfs/dbraw/zinc/27/17/89/954271789.db2.gz	RFUCXQJHVXPXPC-PXAZEXFGSA-N	1	0	356.455	1.345	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3cn4nc(C)cc4[nH]c3=O)C[C@]2(C)C1	ZINC001092098140	954291749	/nfs/dbraw/zinc/29/17/49/954291749.db2.gz	PLVWIKHWCXBUKP-KUHUBIRLSA-N	1	0	355.442	1.301	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)c3cccn4c(=O)[nH]nc34)C[C@]2(C)C1	ZINC001092195479	954506869	/nfs/dbraw/zinc/50/68/69/954506869.db2.gz	QBGKILWONYLFAW-KUHUBIRLSA-N	1	0	355.442	1.795	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@H]2C[N@@H+](Cc3ccnn3C)C[C@@]2(C)C1	ZINC001092232338	954578005	/nfs/dbraw/zinc/57/80/05/954578005.db2.gz	HXTIQQLUXWCWFT-KNQAVFIVSA-N	1	0	362.477	1.924	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cc4c(cn3)nc[nH]c4=O)C[C@]2(C)C1	ZINC001092236801	954590285	/nfs/dbraw/zinc/59/02/85/954590285.db2.gz	RJEQBJTWQSSBTR-YJYMSZOUSA-N	1	0	351.410	1.148	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+](Cc4cn(C)nc4C)C[C@@]3(C)C2)cn1	ZINC001092211281	954617435	/nfs/dbraw/zinc/61/74/35/954617435.db2.gz	BIXQWGHJCRXJIS-NQIIRXRSSA-N	1	0	363.465	1.699	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+](Cc4cnoc4C)C[C@@]3(C)C2)cn1	ZINC001092211851	954618875	/nfs/dbraw/zinc/61/88/75/954618875.db2.gz	QKDYOZWAFAYPAN-XLIONFOSSA-N	1	0	350.422	1.953	20	30		FDEDRO
C[C@]12CN(C(=O)Cn3cncn3)C[C@H]1C[N@H+](CC#Cc1ccc(F)cc1)C2	ZINC001092256109	954717439	/nfs/dbraw/zinc/71/74/39/954717439.db2.gz	GFAHHMIIZYJBPR-XLIONFOSSA-N	1	0	367.428	1.249	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CCC([NH2+]Cc2cn(C)nn2)CC1	ZINC000964022200	1013130429	/nfs/dbraw/zinc/13/04/29/1013130429.db2.gz	XBBZHSZQWPISOR-KXIUCKCTSA-N	1	0	361.490	1.656	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](CNC(=O)CC3CC[NH+](C)CC3)[C@H](C)C2)n1	ZINC001092405656	955028194	/nfs/dbraw/zinc/02/81/94/955028194.db2.gz	ZGMQFMKTBLODHA-RHSMWYFYSA-N	1	0	370.501	1.577	20	30		FDEDRO
CC[NH+](CC)[C@H](C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O)C(C)C	ZINC001197025981	972066398	/nfs/dbraw/zinc/06/63/98/972066398.db2.gz	VRMRQBDIUOHMON-NJYVYQBISA-N	1	0	371.525	1.566	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccccc2NC(C)=O)C1	ZINC001197034143	972070964	/nfs/dbraw/zinc/07/09/64/972070964.db2.gz	IAQWPUAEZQHDOY-NIKGAXFTSA-N	1	0	359.470	1.704	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3ccc(C)n3C)[C@H](C)C2)C1=O	ZINC001092464718	955193109	/nfs/dbraw/zinc/19/31/09/955193109.db2.gz	JHFFMAGFYLKZKE-KYJSFNMBSA-N	1	0	358.486	1.418	20	30		FDEDRO
Cc1cc(N2C[C@@H](C)[C@H](CCNC(=O)[C@H]3CCC[N@@H+]3C)C2)c(C#N)cn1	ZINC001092484349	955240303	/nfs/dbraw/zinc/24/03/03/955240303.db2.gz	LDOBHLDEMPUKAD-QGPMSJSTSA-N	1	0	355.486	1.935	20	30		FDEDRO
C[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1CCNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001092520290	955309386	/nfs/dbraw/zinc/30/93/86/955309386.db2.gz	VVIOHTMIKSIXJS-FVQBIDKESA-N	1	0	359.449	1.623	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CCNC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001092552034	955408511	/nfs/dbraw/zinc/40/85/11/955408511.db2.gz	VLDYWUOZTAXRHO-QGPMSJSTSA-N	1	0	368.485	1.269	20	30		FDEDRO
C[C@@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)[C@H](C)C1	ZINC001092556131	955432774	/nfs/dbraw/zinc/43/27/74/955432774.db2.gz	ZBAPXWHLTIYOAS-IJEWVQPXSA-N	1	0	371.485	1.631	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)c1cncnc1	ZINC001092558786	955446796	/nfs/dbraw/zinc/44/67/96/955446796.db2.gz	SFWIEUNAOTYKTN-CRAIPNDOSA-N	1	0	365.437	1.877	20	30		FDEDRO
CC(=O)N1CC(C(=O)NC[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2C)C1	ZINC001092568325	955482941	/nfs/dbraw/zinc/48/29/41/955482941.db2.gz	UBUKOXNYSOLIKY-VQIMIIECSA-N	1	0	353.466	1.201	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](CCNC(=O)C34CC[NH+](CC3)C4)C2)n1	ZINC001092531213	955490285	/nfs/dbraw/zinc/49/02/85/955490285.db2.gz	ADHVDSCZRYOMSG-GDBMZVCRSA-N	1	0	368.485	1.331	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CCNC(=O)CCCC[NH+](C)C	ZINC001092536164	955514814	/nfs/dbraw/zinc/51/48/14/955514814.db2.gz	QWBNXHMKOXXYMY-HZPDHXFCSA-N	1	0	358.490	1.659	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1CCNC(=O)C1	ZINC001092537134	955519878	/nfs/dbraw/zinc/51/98/78/955519878.db2.gz	VXSLFWXUQQJRLX-BHIYHBOVSA-N	1	0	353.466	1.248	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CCNC(=O)C[N@H+](C)C1CCC1	ZINC001092595463	955589902	/nfs/dbraw/zinc/58/99/02/955589902.db2.gz	RDYCLYOTIWIIRS-HUUCEWRRSA-N	1	0	356.474	1.411	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCC[C@@H]2CN(c3ccc(C#N)cn3)C[C@H]2C)CC[N@@H+]1C	ZINC001092597930	955601720	/nfs/dbraw/zinc/60/17/20/955601720.db2.gz	HKFHVPLVJTYZQE-JOCBIADPSA-N	1	0	355.486	1.872	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)c1cc(=O)n(C)o1	ZINC001092571677	955680997	/nfs/dbraw/zinc/68/09/97/955680997.db2.gz	MFEAVPUIMAISEB-GDBMZVCRSA-N	1	0	371.412	1.467	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3cc(C)nnc3C)[C@H](C)C2)C1=O	ZINC001092641681	955763400	/nfs/dbraw/zinc/76/34/00/955763400.db2.gz	OQLRMGDUZNTMHN-QBIMZIAESA-N	1	0	371.485	1.178	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](CCCO[C@H]2CCOC2)CC1	ZINC001197195485	972136609	/nfs/dbraw/zinc/13/66/09/972136609.db2.gz	DLWKHVDKXFQOOQ-KSZLIROESA-N	1	0	352.475	1.307	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](CCCO[C@@H]2CCOC2)CC1	ZINC001197195487	972136826	/nfs/dbraw/zinc/13/68/26/972136826.db2.gz	DLWKHVDKXFQOOQ-KURKYZTESA-N	1	0	352.475	1.307	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](CNc2nccnc2C#N)[C@H](C)C1	ZINC001092662499	955939486	/nfs/dbraw/zinc/93/94/86/955939486.db2.gz	RNMKBCQIZXWJLN-KFWWJZLASA-N	1	0	362.453	1.535	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1N(c1ccnc(C#N)n1)CC2	ZINC001092700468	956089289	/nfs/dbraw/zinc/08/92/89/956089289.db2.gz	CRNSDLILPFLBIJ-OXQOHEQNSA-N	1	0	370.501	1.945	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)NC[C@]23CCC[C@H]2N(c2cncc(C#N)n2)CC3)C1	ZINC001092715127	956162802	/nfs/dbraw/zinc/16/28/02/956162802.db2.gz	POEHTLVHQKCUPA-WRWLIDTKSA-N	1	0	368.485	1.555	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2c(C)noc2C)C[C@H]1C	ZINC001092688799	956192592	/nfs/dbraw/zinc/19/25/92/956192592.db2.gz	AQWOEYLOTHESHR-BJZITVGISA-N	1	0	358.486	1.573	20	30		FDEDRO
N#Cc1ccccc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1ccnn1)C2	ZINC001110489392	972164148	/nfs/dbraw/zinc/16/41/48/972164148.db2.gz	KZYCRBVBPCBNSE-KURKYZTESA-N	1	0	350.426	1.462	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cncn3)n2)C1	ZINC001197310656	972191512	/nfs/dbraw/zinc/19/15/12/972191512.db2.gz	GVWQMQNIDZMZAZ-IAGOWNOFSA-N	1	0	370.457	1.184	20	30		FDEDRO
C[NH+]1CCC(CNS(=O)(=O)c2ccc(Br)c(C#N)c2)CC1	ZINC001197319622	972193688	/nfs/dbraw/zinc/19/36/88/972193688.db2.gz	DSBNELXGXAXQPL-UHFFFAOYSA-N	1	0	372.288	1.941	20	30		FDEDRO
C[NH+]1CCN(c2ccc(C=[NH+][N-]c3ccccc3S(N)(=O)=O)cc2)CC1	ZINC000773121274	956569858	/nfs/dbraw/zinc/56/98/58/956569858.db2.gz	PXGJGSKWZOYHQE-UHFFFAOYSA-N	1	0	373.482	1.532	20	30		FDEDRO
C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@H]2COCCN2CCCC)[C@H](C)C1	ZINC001092856081	956702617	/nfs/dbraw/zinc/70/26/17/956702617.db2.gz	WDEYRUIUCNQAFT-DJIMGWMZSA-N	1	0	357.926	1.924	20	30		FDEDRO
Cc1cc(C#N)nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCC[NH+](C)C)C3)n1	ZINC001092863502	956729021	/nfs/dbraw/zinc/72/90/21/956729021.db2.gz	OQTGWTAONOOFOA-IKGGRYGDSA-N	1	0	356.474	1.615	20	30		FDEDRO
CC[NH+](CC)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1)C(C)C	ZINC001092866321	956741133	/nfs/dbraw/zinc/74/11/33/956741133.db2.gz	DINQABPNEOCJND-VUHPKUFZSA-N	1	0	370.501	1.941	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)[C@H]1CCC(=O)N1C	ZINC001092903733	956846705	/nfs/dbraw/zinc/84/67/05/956846705.db2.gz	UAUDYPVHIBDGLD-SZVBFZGTSA-N	1	0	371.456	1.482	20	30		FDEDRO
C=C1CCC(C(=O)NC[C@@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]2C)CC1	ZINC001092935133	956953763	/nfs/dbraw/zinc/95/37/63/956953763.db2.gz	REKJPXWOJHNCOK-BHIYHBOVSA-N	1	0	360.502	1.675	20	30		FDEDRO
N#Cc1ccc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC[NH+]2CCCC2)C3)nn1	ZINC001092980216	956983773	/nfs/dbraw/zinc/98/37/73/956983773.db2.gz	SIUBDSMMIQTXPV-ZACQAIPSSA-N	1	0	354.458	1.450	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)c2ccc(S(C)(=O)=O)o2)[C@H](C)C1	ZINC001093019529	957147647	/nfs/dbraw/zinc/14/76/47/957147647.db2.gz	NIGVFWPJFAEQLW-ZIAGYGMSSA-N	1	0	354.472	1.947	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2scc3c2OCCO3)C1	ZINC001197433551	972247621	/nfs/dbraw/zinc/24/76/21/972247621.db2.gz	KHORZAVDZIWTHF-YNEHKIRRSA-N	1	0	352.456	1.649	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1C	ZINC001093046158	957210882	/nfs/dbraw/zinc/21/08/82/957210882.db2.gz	YTXRKTYLEUTXIA-JZGRTCEGSA-N	1	0	360.502	1.894	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2C)cc1	ZINC001093031443	957242148	/nfs/dbraw/zinc/24/21/48/957242148.db2.gz	DURAYTLGUZNYGU-SJLPKXTDSA-N	1	0	367.453	1.288	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3cnc(C)s3)C[C@H]2C)nn1	ZINC001093034714	957251599	/nfs/dbraw/zinc/25/15/99/957251599.db2.gz	BMVBEIUJEONJBQ-TZMCWYRMSA-N	1	0	360.487	1.727	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3cnc(C)nc3)C[C@H]2C)nn1	ZINC001093040200	957264415	/nfs/dbraw/zinc/26/44/15/957264415.db2.gz	JNVGZMBSHDFOLK-RHSMWYFYSA-N	1	0	369.473	1.451	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CNC(=O)c2nnc[nH]2)[C@H](C)C1	ZINC001093063859	957299269	/nfs/dbraw/zinc/29/92/69/957299269.db2.gz	AOSMBVNTILXUDR-IUODEOHRSA-N	1	0	354.414	1.183	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)c1ccncn1	ZINC001093066612	957311436	/nfs/dbraw/zinc/31/14/36/957311436.db2.gz	HGPUBLYVFRBRQZ-CZUORRHYSA-N	1	0	353.401	1.985	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)c1cccnn1	ZINC001093074339	957334738	/nfs/dbraw/zinc/33/47/38/957334738.db2.gz	DGIPXLDERZHXEK-CZUORRHYSA-N	1	0	353.401	1.985	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)c1cccnn1	ZINC001093075076	957336138	/nfs/dbraw/zinc/33/61/38/957336138.db2.gz	UXMQFFVZHVNDEV-NVXWUHKLSA-N	1	0	365.437	1.877	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@]12CCC[C@H]1CN(c1ccc(C#N)nn1)C2	ZINC001093108749	957397042	/nfs/dbraw/zinc/39/70/42/957397042.db2.gz	WWUHJHANCOVLAG-VPWXQRGCSA-N	1	0	368.485	1.698	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3c[nH]nc3C3CC3)[C@H](C)C2)C1=O	ZINC001093099622	957405357	/nfs/dbraw/zinc/40/53/57/957405357.db2.gz	FLNKFGULDFRVDP-UNEWFSDZSA-N	1	0	371.485	1.372	20	30		FDEDRO
CC[C@H](C(=O)N[C@]12CCC[C@H]1CN(c1ccnc(C#N)n1)C2)[NH+](CC)CC	ZINC001093103405	957436957	/nfs/dbraw/zinc/43/69/57/957436957.db2.gz	BYWOGPXTZQWQNJ-YRNRMSPPSA-N	1	0	370.501	1.944	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(c1cncc(C#N)n1)C2	ZINC001093092011	957539572	/nfs/dbraw/zinc/53/95/72/957539572.db2.gz	YZOQCDMSDLJXCX-KXBFYZLASA-N	1	0	356.474	1.555	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2ccncc2C#N)C1	ZINC001093114565	957554229	/nfs/dbraw/zinc/55/42/29/957554229.db2.gz	MWPYTRBZWLOKTR-UKRRQHHQSA-N	1	0	369.391	1.518	20	30		FDEDRO
CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(CNc2nccnc2C#N)C1	ZINC001093124320	957588057	/nfs/dbraw/zinc/58/80/57/957588057.db2.gz	ZYINAZARPSJENN-KXBFYZLASA-N	1	0	356.474	1.729	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@H]3CCN(CC=C)C3=O)C[C@H]2C)cn1	ZINC001093142779	957639599	/nfs/dbraw/zinc/63/95/99/957639599.db2.gz	BPMPIYXKJLQWBD-SUMDDJOVSA-N	1	0	366.465	1.148	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Cn3cccn3)on2)C1	ZINC001197574998	972289935	/nfs/dbraw/zinc/28/99/35/972289935.db2.gz	KGZSLYPKLDPLQC-IAOVAPTHSA-N	1	0	359.430	1.049	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(Cc3nccn3CC)C[C@H]2C)CC1	ZINC001093222092	957848473	/nfs/dbraw/zinc/84/84/73/957848473.db2.gz	HFKBPUDPHXZHQZ-IEBWSBKVSA-N	1	0	371.529	1.432	20	30		FDEDRO
C#C[C@H](NC(=O)NC[C@H](C(CC)CC)[NH+]1CCOCC1)[C@H]1CCCO1	ZINC000773167124	957903758	/nfs/dbraw/zinc/90/37/58/957903758.db2.gz	WGPPKUUHSOOCHI-RCCFBDPRSA-N	1	0	351.491	1.603	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3cc(C)ncn3)C[C@H]2C)C1=O	ZINC001093275319	957946051	/nfs/dbraw/zinc/94/60/51/957946051.db2.gz	YFMGQPVOBGOTKB-OIISXLGYSA-N	1	0	371.485	1.260	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3cc(F)c[nH]3)C[C@H]2C)C1=O	ZINC001093280020	957954183	/nfs/dbraw/zinc/95/41/83/957954183.db2.gz	BDLIMSDAQVLLKD-IIAWOOMASA-N	1	0	362.449	1.629	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3c[nH]nc3C)C[C@H]2C)C1=O	ZINC001093281957	957961297	/nfs/dbraw/zinc/96/12/97/957961297.db2.gz	WSDKXQBQKFVNGR-FRFSOERESA-N	1	0	359.474	1.193	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3cnn(C)c3)o2)C1	ZINC001197567543	972306620	/nfs/dbraw/zinc/30/66/20/972306620.db2.gz	ROFNHHIRHBTGQQ-FVQBIDKESA-N	1	0	358.442	1.810	20	30		FDEDRO
C#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1	ZINC001093378706	958017143	/nfs/dbraw/zinc/01/71/43/958017143.db2.gz	RXTLPRCQNCLDOX-FGTMMUONSA-N	1	0	357.498	1.614	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3nnc[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093439019	958072912	/nfs/dbraw/zinc/07/29/12/958072912.db2.gz	IMBHCKKTSDXQQY-VVWQDTPRSA-N	1	0	361.490	1.280	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(=O)n(C)o3)[C@H]2C(C)C)C[C@H]1O	ZINC001093441551	958076988	/nfs/dbraw/zinc/07/69/88/958076988.db2.gz	BKHKXTKADXEHFZ-GNSPCKGOSA-N	1	0	363.458	1.134	20	30		FDEDRO
Cc1ncc(C[NH2+][C@@H]2C[C@@]3(CN(C(=O)C#CC4CC4)[C@@H]3C(C)C)C[C@H]2O)o1	ZINC001093444051	958087260	/nfs/dbraw/zinc/08/72/60/958087260.db2.gz	YOZAQUSRRDADCT-UKAVVXHISA-N	1	0	371.481	1.863	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)C#CC2CC2)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnn(C)c1)C2	ZINC001093443891	958088202	/nfs/dbraw/zinc/08/82/02/958088202.db2.gz	VZTKNABUSNIMFU-UKAVVXHISA-N	1	0	370.497	1.300	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C)nn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093447363	958099928	/nfs/dbraw/zinc/09/99/28/958099928.db2.gz	UTTANAARLRVZDE-FTEYMNFISA-N	1	0	358.486	1.941	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(F)cncc3F)[C@H]2C(C)C)C[C@H]1O	ZINC001093448486	958108702	/nfs/dbraw/zinc/10/87/02/958108702.db2.gz	KGVDBGFAWNDOPF-IIHSZXCVSA-N	1	0	363.408	1.573	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C)nc3C3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093448650	958110193	/nfs/dbraw/zinc/11/01/93/958110193.db2.gz	KVTUCKFBHLAXAI-REHHDOPLSA-N	1	0	370.497	1.510	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncc(OC)c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093449876	958119484	/nfs/dbraw/zinc/11/94/84/958119484.db2.gz	JMFXMVNOGATGQC-ZJSJBZJDSA-N	1	0	371.481	1.612	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3nc(CC)c[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093450755	958126853	/nfs/dbraw/zinc/12/68/53/958126853.db2.gz	OTJJCXPBNZFCIO-XNFNUYLZSA-N	1	0	360.502	1.667	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)ncn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093451748	958135266	/nfs/dbraw/zinc/13/52/66/958135266.db2.gz	XLIDBGXCFNMJNU-QQTQMKHKSA-N	1	0	360.502	1.884	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc4cn[nH]c43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093460259	958189362	/nfs/dbraw/zinc/18/93/62/958189362.db2.gz	RAVGLPHOFFHGFK-VGUOSERISA-N	1	0	366.465	1.776	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001093465423	958203741	/nfs/dbraw/zinc/20/37/41/958203741.db2.gz	JOOBZJUJYRBUSQ-HBXLWWENSA-N	1	0	362.518	1.208	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH]c(=O)cc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093465643	958203791	/nfs/dbraw/zinc/20/37/91/958203791.db2.gz	KUDNVXIKEXSDTL-QQTQMKHKSA-N	1	0	357.454	1.309	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCC3CCOCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093466902	958212476	/nfs/dbraw/zinc/21/24/76/958212476.db2.gz	QFEXLNWFKNLLQW-QCFAMHMHSA-N	1	0	362.514	1.793	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncc(Cl)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093469562	958222174	/nfs/dbraw/zinc/22/21/74/958222174.db2.gz	HREBOCQCLIBLFZ-VXNCWWDNSA-N	1	0	361.873	1.948	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)c3cnc[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093471759	958235423	/nfs/dbraw/zinc/23/54/23/958235423.db2.gz	GNYDYHQZBPCOCW-RNKNFESXSA-N	1	0	360.502	1.839	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc4c([nH]3)CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093472220	958238339	/nfs/dbraw/zinc/23/83/39/958238339.db2.gz	JRHYCIRFGIHQRF-XCJLJZCSSA-N	1	0	355.482	1.716	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncccc3Cl)[C@@H]2C(C)C)C[C@H]1O	ZINC001093474184	958246978	/nfs/dbraw/zinc/24/69/78/958246978.db2.gz	QPXIBFNAVBBJFM-FXRXJOCMSA-N	1	0	361.873	1.948	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn4c3CCCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093474300	958247003	/nfs/dbraw/zinc/24/70/03/958247003.db2.gz	UQZWAHXBVNCWOX-VELGLUOQSA-N	1	0	370.497	1.432	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C(C)C)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093455373	958273529	/nfs/dbraw/zinc/27/35/29/958273529.db2.gz	MKCKMHVMTGABHV-PHXBYCTMSA-N	1	0	358.486	1.677	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3n[nH]c4c3CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093456560	958277533	/nfs/dbraw/zinc/27/75/33/958277533.db2.gz	FSMHOHVPDUQVRL-HBXLWWENSA-N	1	0	358.486	1.664	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C)c(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093458326	958283395	/nfs/dbraw/zinc/28/33/95/958283395.db2.gz	NHXUMYZZHAMIEQ-XCJLJZCSSA-N	1	0	355.482	1.911	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(COC)o3)[C@H]2C(C)C)C[C@H]1O	ZINC001093458651	958284377	/nfs/dbraw/zinc/28/43/77/958284377.db2.gz	OPKQFFJYOONOMP-ZTRFORPCSA-N	1	0	360.454	1.639	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(OC)n(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093459146	958288210	/nfs/dbraw/zinc/28/82/10/958288210.db2.gz	RKXLBRLLNYYNPA-RRIFGTCXSA-N	1	0	362.474	1.194	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c(C)n[nH]c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093477712	958288937	/nfs/dbraw/zinc/28/89/37/958288937.db2.gz	LEIBKTUQAMGUIV-HNBVOPMISA-N	1	0	360.502	1.721	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)[C@H]2C(C)C)C[C@H]1O	ZINC001093478081	958291336	/nfs/dbraw/zinc/29/13/36/958291336.db2.gz	BPCCZNBACXGNOO-LJVWCEMASA-N	1	0	356.510	1.878	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccc(C)nc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093480463	958302475	/nfs/dbraw/zinc/30/24/75/958302475.db2.gz	KCEYLLKYNBDTSW-QCFAMHMHSA-N	1	0	355.482	1.532	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(C)c3ccccc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093482034	958308105	/nfs/dbraw/zinc/30/81/05/958308105.db2.gz	ZMNUETVLYVKLNN-UGESXGAOSA-N	1	0	369.509	1.722	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001093639936	958410188	/nfs/dbraw/zinc/41/01/88/958410188.db2.gz	YORCRXZCAVEYMS-RHSMWYFYSA-N	1	0	370.432	1.563	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCOC3)C[C@H]2C)cc1C#N	ZINC001093665343	958464881	/nfs/dbraw/zinc/46/48/81/958464881.db2.gz	WFHWGFAKOKGXMP-UWWQBHOKSA-N	1	0	357.454	1.787	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2cc3ccccc3o2)C1	ZINC001197637714	972350265	/nfs/dbraw/zinc/35/02/65/972350265.db2.gz	YFLRXCFMHFFUIO-USXIJHARSA-N	1	0	358.438	1.900	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3ccccc3O)C[C@H]2C)C1=O	ZINC001093642618	958477225	/nfs/dbraw/zinc/47/72/25/958477225.db2.gz	LVJIWQUBARNWFV-INMHGKMJSA-N	1	0	357.454	1.477	20	30		FDEDRO
Cc1c(C(=O)N2C[C@@H](C[NH2+]Cc3cc(C#N)ccc3F)[C@H](C)C2)nnn1C	ZINC001093688137	958506187	/nfs/dbraw/zinc/50/61/87/958506187.db2.gz	JDFMPQKXPWCWRZ-MLGOLLRUSA-N	1	0	370.432	1.632	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+][C@H]1CCN(C2CCC2)C1=O	ZINC001093699359	958565179	/nfs/dbraw/zinc/56/51/79/958565179.db2.gz	PVWRMJBSTIEDRF-UNEWFSDZSA-N	1	0	369.469	1.337	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2nnc[nH]2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093701693	958570077	/nfs/dbraw/zinc/57/00/77/958570077.db2.gz	VETVCVFRSPTVMR-CHWSQXEVSA-N	1	0	358.471	1.555	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3cc(C)c(C)o3)C[C@H]2C)C1=O	ZINC001093715383	958582095	/nfs/dbraw/zinc/58/20/95/958582095.db2.gz	XXLGVPFWGPXRCX-DJIMGWMZSA-N	1	0	359.470	1.981	20	30		FDEDRO
COc1ncc(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)c(C)n1	ZINC001093725990	958610350	/nfs/dbraw/zinc/61/03/50/958610350.db2.gz	MMOXNCMDGNSGNI-MLGOLLRUSA-N	1	0	368.441	1.491	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)cn1	ZINC001093726163	958612497	/nfs/dbraw/zinc/61/24/97/958612497.db2.gz	RKBMWEOCZSKNMR-CZUORRHYSA-N	1	0	353.426	1.788	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1ccc(CO)cc1	ZINC001093726069	958612624	/nfs/dbraw/zinc/61/26/24/958612624.db2.gz	OPDNJFFWTMIOQA-RDTXWAMCSA-N	1	0	352.438	1.877	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cncnc2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001093729652	958623827	/nfs/dbraw/zinc/62/38/27/958623827.db2.gz	GZTYMVXVKFVQBB-CXAGYDPISA-N	1	0	353.401	1.985	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C	ZINC001093747940	958665797	/nfs/dbraw/zinc/66/57/97/958665797.db2.gz	LKNIRVOECJZKGA-CZUORRHYSA-N	1	0	368.441	1.193	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)[C@H](O)C(C)C)C[C@H]1C	ZINC001093752029	958676409	/nfs/dbraw/zinc/67/64/09/958676409.db2.gz	RBCVYTYOLDFSBT-LSBZLQRGSA-N	1	0	359.470	1.768	20	30		FDEDRO
CCn1ncc(C(=O)N2C[C@@H](C[NH2+]Cc3cc(C#N)ccc3F)[C@H](C)C2)n1	ZINC001093756226	958687284	/nfs/dbraw/zinc/68/72/84/958687284.db2.gz	JHGMYHNGXGYFCE-CZUORRHYSA-N	1	0	370.432	1.807	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001093782763	958767559	/nfs/dbraw/zinc/76/75/59/958767559.db2.gz	PBGMNKPPCSYDGB-JPUXWFAOSA-N	1	0	357.429	1.918	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3cc(CC)ccn3)C[C@H]2C)C1=O	ZINC001093788651	958782293	/nfs/dbraw/zinc/78/22/93/958782293.db2.gz	ZKHZFIUGEOFLOW-NXHRZFHOSA-N	1	0	370.497	1.729	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cn(CC)nn2)[C@H](C)C1	ZINC001093779085	958875395	/nfs/dbraw/zinc/87/53/95/958875395.db2.gz	XLFONSJKFYXMIG-AHCXZYCDSA-N	1	0	361.490	1.463	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnns2)[C@H](C)C1	ZINC001093778946	958876132	/nfs/dbraw/zinc/87/61/32/958876132.db2.gz	QLBDDTKXLPWELV-XOUADPBQSA-N	1	0	350.488	1.703	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2conc2CC)[C@H](C)C1	ZINC001093833100	958928360	/nfs/dbraw/zinc/92/83/60/958928360.db2.gz	ROJKGUIKNDFDBI-MDZRGWNJSA-N	1	0	358.486	1.519	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093843556	958961033	/nfs/dbraw/zinc/96/10/33/958961033.db2.gz	NCTHSXZGCRGJDV-CXAGYDPISA-N	1	0	351.410	1.552	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3[nH]ccc3C3CC3)C[C@H]2C)C1=O	ZINC001093815903	959003343	/nfs/dbraw/zinc/00/33/43/959003343.db2.gz	XWUNVVGPDXSOPF-KYJSFNMBSA-N	1	0	370.497	1.977	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H]3CCCN(C)C3=O)[C@H](C)C2)cc1	ZINC001093956919	959349209	/nfs/dbraw/zinc/34/92/09/959349209.db2.gz	HCQFUPNIRSDRKD-LZQZEXGQSA-N	1	0	353.466	1.586	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001093964092	959372308	/nfs/dbraw/zinc/37/23/08/959372308.db2.gz	JAHTUYQZNSTYMW-VMGRFDJRSA-N	1	0	358.417	1.018	20	30		FDEDRO
C[C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093996939	959474608	/nfs/dbraw/zinc/47/46/08/959474608.db2.gz	YDOFBYMHAXOLOL-CRAIPNDOSA-N	1	0	367.453	1.555	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3[C@H](CCCC)C(N)=O)CC1	ZINC001110152065	959524939	/nfs/dbraw/zinc/52/49/39/959524939.db2.gz	HSPDUXAAJLJDJF-YDZRNGNQSA-N	1	0	374.529	1.097	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3nc(C4CC4)no3)[C@H](C)C2)c1	ZINC001094028291	959549782	/nfs/dbraw/zinc/54/97/82/959549782.db2.gz	YVLDCTQHDNFQFI-CXAGYDPISA-N	1	0	365.437	1.821	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3cccnc3)[C@H](C)C2)nn1	ZINC001094101357	959755820	/nfs/dbraw/zinc/75/58/20/959755820.db2.gz	OCQIGQQEJYHHHZ-NVXWUHKLSA-N	1	0	354.458	1.747	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cnn(C)c3)[C@H](C)C2)cc1	ZINC001094093272	959761850	/nfs/dbraw/zinc/76/18/50/959761850.db2.gz	NWADIASYWOQPST-VQIMIIECSA-N	1	0	366.465	1.930	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ccccc3C#N)[C@H](C)C2)nn1	ZINC001094095811	959773564	/nfs/dbraw/zinc/77/35/64/959773564.db2.gz	XKOLWZRUXWCTTK-CRAIPNDOSA-N	1	0	364.453	1.834	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ncccn2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001094125887	959832380	/nfs/dbraw/zinc/83/23/80/959832380.db2.gz	LBRFMMNFAQMDAF-NVXWUHKLSA-N	1	0	365.437	1.877	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cc(OC)ccn3)[C@H](C)C2)nc1	ZINC001094171761	959968924	/nfs/dbraw/zinc/96/89/24/959968924.db2.gz	DBHNNZSCEXCPEF-NVXWUHKLSA-N	1	0	364.449	1.964	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nccn3CC)[C@H](C)C2)nc1	ZINC001094172777	959971152	/nfs/dbraw/zinc/97/11/52/959971152.db2.gz	YTEMXMWADBKGES-NVXWUHKLSA-N	1	0	351.454	1.777	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nnc(C)n3CC)[C@H](C)C2)cn1	ZINC001094174329	959977382	/nfs/dbraw/zinc/97/73/82/959977382.db2.gz	GRLGZQBUVALFCO-RHSMWYFYSA-N	1	0	366.469	1.481	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001094206348	960003224	/nfs/dbraw/zinc/00/32/24/960003224.db2.gz	IHWOHHJCQLFELO-CZUORRHYSA-N	1	0	356.405	1.173	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCCN(C)C2=O)[C@H](C)C1	ZINC001094188458	960070561	/nfs/dbraw/zinc/07/05/61/960070561.db2.gz	WOHYNJVEELUQKP-NSISKUIASA-N	1	0	367.493	1.515	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCN2CCCC2=O)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001094227854	960119392	/nfs/dbraw/zinc/11/93/92/960119392.db2.gz	AXOBLNOUBRGKGX-VQIMIIECSA-N	1	0	368.481	1.755	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N(C)C2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001094244345	960173050	/nfs/dbraw/zinc/17/30/50/960173050.db2.gz	PBODJFMMKOPYAL-AYOQOUSVSA-N	1	0	368.481	1.611	20	30		FDEDRO
C=C(Cl)CN1CC(n2cc(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)nn2)C1	ZINC001094293083	960256473	/nfs/dbraw/zinc/25/64/73/960256473.db2.gz	WRQNNGWWCCYSRB-JKSUJKDBSA-N	1	0	366.897	1.234	20	30		FDEDRO
Cn1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)c4ccc(C#N)[nH]4)CCC[C@@H]23)n1	ZINC001094394827	960343912	/nfs/dbraw/zinc/34/39/12/960343912.db2.gz	SQPHHGGBNOFRKG-IEBWSBKVSA-N	1	0	352.442	1.794	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc([C@H]4CCCN4C)n[nH]3)CCC[C@@H]12	ZINC001094419894	960414215	/nfs/dbraw/zinc/41/42/15/960414215.db2.gz	HFLZSTDJJWWMKR-QWFCFKBJSA-N	1	0	355.486	1.784	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3c3ncccn3)CCC[C@@H]12	ZINC001094438454	960484184	/nfs/dbraw/zinc/48/41/84/960484184.db2.gz	GUKOTAFYBVJWEQ-SQGPQFPESA-N	1	0	353.470	1.439	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3c3ncccn3)CCC[C@@H]12	ZINC001094438547	960484305	/nfs/dbraw/zinc/48/43/05/960484305.db2.gz	JCCWDTJQUBFYIL-WAOWUJCRSA-N	1	0	367.497	1.830	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3COCCN3C3CCCC3)CCC[C@@H]12	ZINC001094494068	960597313	/nfs/dbraw/zinc/59/73/13/960597313.db2.gz	ABRCIELTVKVSGK-SFHLNBCPSA-N	1	0	359.514	1.624	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4nnn(C)c4c3)CCC[C@@H]12	ZINC001094567227	960833277	/nfs/dbraw/zinc/83/32/77/960833277.db2.gz	NIWRHHYZJSAJPJ-UYAOXDASSA-N	1	0	351.454	1.966	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(-n4cnnn4)c3)CCC[C@@H]12	ZINC001094576058	960857934	/nfs/dbraw/zinc/85/79/34/960857934.db2.gz	PJBKRVYNLYLBAE-UYAOXDASSA-N	1	0	364.453	1.660	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)N(C)CC)C1	ZINC001181525862	960906902	/nfs/dbraw/zinc/90/69/02/960906902.db2.gz	VNRRVCSDOGLLOU-PDOICOKGSA-N	1	0	365.518	1.520	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cccn4c(=O)[nH]nc34)CCC[C@@H]12	ZINC001094558567	960913050	/nfs/dbraw/zinc/91/30/50/960913050.db2.gz	OASBTIANWPKPQV-DNVCBOLYSA-N	1	0	353.426	1.433	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C(N)=O)nc3)CCC[C@@H]12	ZINC001094587970	960916074	/nfs/dbraw/zinc/91/60/74/960916074.db2.gz	GPFLOYHJFMCIEX-CRAIPNDOSA-N	1	0	362.861	1.907	20	30		FDEDRO
C#CCNC(=S)C(C(=O)c1c(C)noc1C)[n+]1ccc(N(C)C)cc1	ZINC000773939404	961032784	/nfs/dbraw/zinc/03/27/84/961032784.db2.gz	WKOOCYWPRCCVIY-UHFFFAOYSA-O	1	0	357.459	1.559	20	30		FDEDRO
N#Cc1ccccc1CC(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1	ZINC001181800379	961122364	/nfs/dbraw/zinc/12/23/64/961122364.db2.gz	YGGIWLXTDGGUJA-UHFFFAOYSA-N	1	0	364.449	1.854	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCCC)C2)C1	ZINC001094791297	961172254	/nfs/dbraw/zinc/17/22/54/961172254.db2.gz	AHZYCZGWXPHEPC-AYBZRNKSSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1	ZINC001171856281	961326996	/nfs/dbraw/zinc/32/69/96/961326996.db2.gz	SBHRHPVVBZBOHJ-ZNMIVQPWSA-N	1	0	359.898	1.817	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(N(C)C(=O)C2CC[NH+](C)CC2)CC1	ZINC000954053338	1013246614	/nfs/dbraw/zinc/24/66/14/1013246614.db2.gz	VTOZNWKPTMLWRW-MSOLQXFVSA-N	1	0	363.502	1.369	20	30		FDEDRO
C[C@H](CCCC#N)[N@@H+]1CCO[C@H]2[C@H]1CC[C@H]2CNC(=O)c1ccnnc1	ZINC001172499907	961689757	/nfs/dbraw/zinc/68/97/57/961689757.db2.gz	VKWHQDTWCOLFAY-CYGHRXIMSA-N	1	0	357.458	1.768	20	30		FDEDRO
C[NH+](C)CCCOC1CCN(S(=O)(=O)c2ccc(CC#N)cc2)CC1	ZINC000152183149	961764391	/nfs/dbraw/zinc/76/43/91/961764391.db2.gz	PBEAOVGSUXVWKK-UHFFFAOYSA-N	1	0	365.499	1.874	20	30		FDEDRO
C#CCN(C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1	ZINC000774172411	961803079	/nfs/dbraw/zinc/80/30/79/961803079.db2.gz	XLOOTNGLFJKKIR-PMPSAXMXSA-N	1	0	355.504	1.081	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCN2CCC(O)CC2)C[C@H]1C#N	ZINC001172976450	961861058	/nfs/dbraw/zinc/86/10/58/961861058.db2.gz	PVGCHVBKTSFTAK-CABCVRRESA-N	1	0	352.479	1.324	20	30		FDEDRO
CC(=O)NC1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1	ZINC001172979315	961862212	/nfs/dbraw/zinc/86/22/12/961862212.db2.gz	CYFXKHVLZORNCQ-HOTGVXAUSA-N	1	0	350.463	1.879	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC(=O)NCC(F)(F)F)C[C@H]1C#N	ZINC001172979429	961862685	/nfs/dbraw/zinc/86/26/85/961862685.db2.gz	YDIZSERSNFLXHW-QWRGUYRKSA-N	1	0	364.368	1.546	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC3(CNC(=O)C3)CC2)C[C@H]1C#N	ZINC001172978893	961863308	/nfs/dbraw/zinc/86/33/08/961863308.db2.gz	AZNYQCRWJPWWNN-CABCVRRESA-N	1	0	362.474	1.880	20	30		FDEDRO
C[NH+](C)C[C@@H]1CN([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CCO1	ZINC001172981585	961864206	/nfs/dbraw/zinc/86/42/06/961864206.db2.gz	XDXKSYJNYOSCLZ-OWCLPIDISA-N	1	0	352.479	1.540	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H](NC(=[NH2+])c2ccc(C(N)=O)cc2)C[C@H]1C#N	ZINC001172981698	961864293	/nfs/dbraw/zinc/86/42/93/961864293.db2.gz	NMDVLAAIPMELIP-CABCVRRESA-N	1	0	371.441	1.782	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H](N[C@@]2(C[NH3+])CN3CCC2CC3)C[C@H]1C#N	ZINC001172982137	961866580	/nfs/dbraw/zinc/86/65/80/961866580.db2.gz	UMFKGFDTPQAIJQ-GJYPPUQNSA-N	1	0	363.506	1.291	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@H](N3CCOCC3)C2)C[C@H]1C#N	ZINC001172984118	961866717	/nfs/dbraw/zinc/86/67/17/961866717.db2.gz	IWIPIOKZQBRFEU-ULQDDVLXSA-N	1	0	364.490	1.685	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1	ZINC001172992188	961901464	/nfs/dbraw/zinc/90/14/64/961901464.db2.gz	RXFPBYPGHXJRNJ-ILXRZTDVSA-N	1	0	350.463	1.831	20	30		FDEDRO
C#CCN1CC[NH+]([C@H]2CCN(Cc3ccc(OC)cc3OC)C(=O)C2)CC1	ZINC001173040026	961906552	/nfs/dbraw/zinc/90/65/52/961906552.db2.gz	UUHQMAABUXDQHF-SFHVURJKSA-N	1	0	371.481	1.446	20	30		FDEDRO
C#CCN1CC[NH+]([C@@H]2CCN(Cc3ccc(OC)cc3OC)C(=O)C2)CC1	ZINC001173040025	961906670	/nfs/dbraw/zinc/90/66/70/961906670.db2.gz	UUHQMAABUXDQHF-GOSISDBHSA-N	1	0	371.481	1.446	20	30		FDEDRO
CN(C)C(=O)Cn1cc2c(n1)[C@H](C[NH2+]C1CCC(CC#N)CC1)OCC2	ZINC001173325250	962007035	/nfs/dbraw/zinc/00/70/35/962007035.db2.gz	FRZHDKWAJCHTLP-PREGVCBESA-N	1	0	359.474	1.647	20	30		FDEDRO
C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc(S(N)(=O)=O)cc1C#N	ZINC000774523794	962349081	/nfs/dbraw/zinc/34/90/81/962349081.db2.gz	IJEVZXHBNZDZDB-MGPQQGTHSA-N	1	0	350.488	1.984	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCOCCOC)C1	ZINC001182669660	962379870	/nfs/dbraw/zinc/37/98/70/962379870.db2.gz	VHIOJCCKQZSHMH-VXIBKDFQSA-N	1	0	354.491	1.315	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccncc2)C1	ZINC001182677374	962386933	/nfs/dbraw/zinc/38/69/33/962386933.db2.gz	YVJTYSHXFDDDPB-FGTMMUONSA-N	1	0	369.469	1.138	20	30		FDEDRO
C#CCC[NH+]1CCN(c2ccc(S(=O)(=O)NCCC(C)C)cn2)CC1	ZINC000774528350	962397474	/nfs/dbraw/zinc/39/74/74/962397474.db2.gz	CVWSULBDGFNDGE-UHFFFAOYSA-N	1	0	364.515	1.551	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2OCC[C@H]2C(C)C)C1	ZINC001182654951	962410481	/nfs/dbraw/zinc/41/04/81/962410481.db2.gz	RMNFAVPEEARKSA-AOIWGVFYSA-N	1	0	363.502	1.439	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2CC)C[C@H]1C	ZINC001182693032	962445183	/nfs/dbraw/zinc/44/51/83/962445183.db2.gz	MUPOIMOLUXEGLB-DEXNDLTESA-N	1	0	364.490	1.119	20	30		FDEDRO
COC(=O)[C@@H]1C[C@H]([NH2+]CCCOc2ccccc2C#N)C[C@@H]1C(=O)OC	ZINC001173583877	962456167	/nfs/dbraw/zinc/45/61/67/962456167.db2.gz	WENUOGONVUCRMO-MUJYYYPQSA-N	1	0	360.410	1.658	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1	ZINC000957522191	1013367412	/nfs/dbraw/zinc/36/74/12/1013367412.db2.gz	QELVQFMWEOMWNC-ATZDWAIDSA-N	1	0	353.466	1.125	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1C[C@@H](C(=O)OCC)Cn2nccc2[C@@H]1C	ZINC001183045413	962758583	/nfs/dbraw/zinc/75/85/83/962758583.db2.gz	ZJQLBTZYQITKKA-JKSUJKDBSA-N	1	0	360.458	1.618	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1C[C@@H](OC)[C@@H](NC(=O)OC(C)(C)C)C1	ZINC001183075854	962778743	/nfs/dbraw/zinc/77/87/43/962778743.db2.gz	GYSPGEQFPRYIAT-LSDHHAIUSA-N	1	0	353.463	1.389	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)C1	ZINC001183390782	963004113	/nfs/dbraw/zinc/00/41/13/963004113.db2.gz	JNVGRWIFGFKTCJ-MGPQQGTHSA-N	1	0	359.392	1.295	20	30		FDEDRO
C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CC(F)(F)F	ZINC001110180971	963065565	/nfs/dbraw/zinc/06/55/65/963065565.db2.gz	LQAFDFRINBPULI-MQYQWHSLSA-N	1	0	350.381	1.614	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)N1CCCC1=O)C2	ZINC001111502325	963073789	/nfs/dbraw/zinc/07/37/89/963073789.db2.gz	AZKIUPMFEOAEAC-VXIBKDFQSA-N	1	0	361.486	1.005	20	30		FDEDRO
C=CCOCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCCCC)C2	ZINC001111684228	963158075	/nfs/dbraw/zinc/15/80/75/963158075.db2.gz	HVWBRPUMHMXGNG-PXNSSMCTSA-N	1	0	365.518	1.856	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCN1CCCC1=O	ZINC001175351257	963159922	/nfs/dbraw/zinc/15/99/22/963159922.db2.gz	VDKKUNAKWLFKMA-BBWFWOEESA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1ccn(C)c(=O)c1	ZINC001175359216	963165833	/nfs/dbraw/zinc/16/58/33/963165833.db2.gz	RRIZTNMMBUUPNM-NXHRZFHOSA-N	1	0	361.486	1.741	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1nnnn1C	ZINC001175628617	963242419	/nfs/dbraw/zinc/24/24/19/963242419.db2.gz	FIYDCZOTGWDIPL-ZOBUZTSGSA-N	1	0	364.494	1.346	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000796456073	1013406099	/nfs/dbraw/zinc/40/60/99/1013406099.db2.gz	BGARLEXOBXYJNO-WMZOPIPTSA-N	1	0	357.454	1.763	20	30		FDEDRO
N#Cc1ccccc1CN1CCCC[C@H]1C(=O)N1CCN2C(=O)CC[C@@H]2C1	ZINC001183831287	963301185	/nfs/dbraw/zinc/30/11/85/963301185.db2.gz	NEYMTFYRSOTSOX-MOPGFXCFSA-N	1	0	366.465	1.746	20	30		FDEDRO
N#Cc1ccccc1CN1CCCC[C@@H]1C(=O)n1cnc(C[NH3+])cc1=N	ZINC001183838927	963305542	/nfs/dbraw/zinc/30/55/42/963305542.db2.gz	NZVFCQBTLMINFX-QGZVFWFLSA-N	1	0	350.426	1.388	20	30		FDEDRO
C=CCN1CCN(C(=O)C[C@@H]2COCCN2C(=O)OC(C)(C)C)CC1	ZINC001183856351	963314425	/nfs/dbraw/zinc/31/44/25/963314425.db2.gz	BKKIQFVRDGGCHX-OAHLLOKOSA-N	1	0	353.463	1.343	20	30		FDEDRO
CCN=c1ncc(N)cn1C(=O)[C@@H]1CCCCN1Cc1ccccc1C#N	ZINC001183828016	963318902	/nfs/dbraw/zinc/31/89/02/963318902.db2.gz	AMPOWTWPHZKPAY-SFHVURJKSA-N	1	0	364.453	1.952	20	30		FDEDRO
Cc1[nH]c2ccc(C#N)cc2c1CC(=O)NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+]	ZINC001183891264	963327253	/nfs/dbraw/zinc/32/72/53/963327253.db2.gz	LUMOLKJUEWXVQU-QWFCFKBJSA-N	1	0	370.453	1.732	20	30		FDEDRO
C#C[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)[C@H]1CCCO1	ZINC000773557225	963392228	/nfs/dbraw/zinc/39/22/28/963392228.db2.gz	FFPYNGMUCMIIHO-QZTJIDSGSA-N	1	0	362.518	1.417	20	30		FDEDRO
CCO[C@@H](CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N(CC)CCC#N	ZINC001110347487	963506831	/nfs/dbraw/zinc/50/68/31/963506831.db2.gz	AGEPIVMFGVKNFI-NCOADZHNSA-N	1	0	364.490	1.285	20	30		FDEDRO
C=CC[NH2+]CCCN(CC1CCCC1)C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1	ZINC001177366006	963781004	/nfs/dbraw/zinc/78/10/04/963781004.db2.gz	NZDZWQYVWSWPOL-MSOLQXFVSA-N	1	0	365.518	1.984	20	30		FDEDRO
CO/N=C(\C(=O)n1cc(Br)ccc1=NCC[NH3+])c1ccco1	ZINC001177355489	963798503	/nfs/dbraw/zinc/79/85/03/963798503.db2.gz	MJPMXDMFENNTQX-QSFAGEOXSA-N	1	0	367.203	1.394	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CCC[NH2+]CC(=O)NCC)CC1CCCC1	ZINC001177423922	963824837	/nfs/dbraw/zinc/82/48/37/963824837.db2.gz	YAZVXHMGBNMFLO-MSOLQXFVSA-N	1	0	365.518	1.712	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](CC[NH+](C)C)C2)c1	ZINC001177533069	963868322	/nfs/dbraw/zinc/86/83/22/963868322.db2.gz	WERRWSQGBDZPBM-MRXNPFEDSA-N	1	0	362.495	1.897	20	30		FDEDRO
O=C(C#Cc1cccnc1)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1	ZINC001177773934	963948290	/nfs/dbraw/zinc/94/82/90/963948290.db2.gz	PYOIEIDTPGTELV-UZLBHIALSA-N	1	0	366.396	1.521	20	30		FDEDRO
COC(=O)[C@]1(NC(=O)C#Cc2cccnc2)CC[N@H+](Cc2ccccc2)C1	ZINC001177781290	963969573	/nfs/dbraw/zinc/96/95/73/963969573.db2.gz	OHOFRVHHQSGSIS-NRFANRHFSA-N	1	0	363.417	1.367	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCc2ccccc2)C1	ZINC001185759492	964090051	/nfs/dbraw/zinc/09/00/51/964090051.db2.gz	WEGKDRWAVDTHFK-KURKYZTESA-N	1	0	357.454	1.084	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+]C1CCN(C(=O)c2cccc(C)c2)CC1	ZINC001178286088	964170386	/nfs/dbraw/zinc/17/03/86/964170386.db2.gz	WJPFUBGEDHHFLD-UHFFFAOYSA-N	1	0	350.484	1.790	20	30		FDEDRO
C#CCC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccco3)C2)nn1	ZINC001186008614	964252078	/nfs/dbraw/zinc/25/20/78/964252078.db2.gz	YUKONUKINARPHT-KZNAEPCWSA-N	1	0	367.453	1.951	20	30		FDEDRO
N#CCSCC(=O)NC[C@@H]1C[N@H+](CCO)CC[C@@H]1c1ccc(F)cc1	ZINC001186189285	964338521	/nfs/dbraw/zinc/33/85/21/964338521.db2.gz	LWNFIKVABZUTQC-NVXWUHKLSA-N	1	0	365.474	1.596	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CN(C)C(C)=O)C1	ZINC001186189817	964339906	/nfs/dbraw/zinc/33/99/06/964339906.db2.gz	UBSXLHXKWQPSIA-IEBWSBKVSA-N	1	0	359.445	1.459	20	30		FDEDRO
N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)C1	ZINC001186205636	964347671	/nfs/dbraw/zinc/34/76/71/964347671.db2.gz	ARIOQFATLFSUOO-OWCLPIDISA-N	1	0	360.845	1.274	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CNC(N)=O)C1	ZINC001186171954	964355775	/nfs/dbraw/zinc/35/57/75/964355775.db2.gz	OMZKJDHBHJUBCZ-NVXWUHKLSA-N	1	0	360.433	1.039	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)c2ccccc2)C1	ZINC001186243480	964370578	/nfs/dbraw/zinc/37/05/78/964370578.db2.gz	IAKSAPFQISYIIJ-KPFFTGBYSA-N	1	0	371.481	1.821	20	30		FDEDRO
C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@@H]1CC[C@H](c2ccccc2)O1	ZINC001178719410	964396741	/nfs/dbraw/zinc/39/67/41/964396741.db2.gz	ZELNVSQLZVMKGE-OWLYRPNTSA-N	1	0	370.453	1.125	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2OCC[C@H]2CC)[C@H]1C	ZINC001178926086	964539126	/nfs/dbraw/zinc/53/91/26/964539126.db2.gz	OUVMJGCQNUPCHE-ZMMAXQRCSA-N	1	0	365.518	1.805	20	30		FDEDRO
N#CCSCC(=O)N1CC[C@H]2C[N@H+](CCOC[C@@H]3CCCCO3)C[C@H]21	ZINC001186940956	964856248	/nfs/dbraw/zinc/85/62/48/964856248.db2.gz	VSYIFZDCZYSQSO-YESZJQIVSA-N	1	0	367.515	1.362	20	30		FDEDRO
N#Cc1cc(C[NH2+]CCCCCCNC(=O)[C@H]2C[C@H]2C(N)=O)ccc1F	ZINC001179601790	964925149	/nfs/dbraw/zinc/92/51/49/964925149.db2.gz	PBQAHYKNFHNWDC-CVEARBPZSA-N	1	0	360.433	1.585	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cn[nH]c3)[C@@H]2C1	ZINC001187010105	964927438	/nfs/dbraw/zinc/92/74/38/964927438.db2.gz	SMLZJDCZCZYYMG-YQQAZPJKSA-N	1	0	359.474	1.369	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCSCC)[C@@H]3C2)C1=O	ZINC001187023844	964934082	/nfs/dbraw/zinc/93/40/82/964934082.db2.gz	NONOMSCVHYCUPN-ARFHVFGLSA-N	1	0	351.516	1.449	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1=O	ZINC001179654842	964935984	/nfs/dbraw/zinc/93/59/84/964935984.db2.gz	ONJQGNDDDBEWRS-BDXSIMOUSA-N	1	0	363.502	1.607	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CCC2)[C@H]1C	ZINC001179691792	964945348	/nfs/dbraw/zinc/94/53/48/964945348.db2.gz	BPLCURBOBIXOCU-OWLYRPNTSA-N	1	0	360.502	1.764	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2cc3n(n2)CCCC3)C1	ZINC000962324808	1013535757	/nfs/dbraw/zinc/53/57/57/1013535757.db2.gz	RXWNNKZOBHNDCA-FUICEZJUSA-N	1	0	358.486	1.795	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CCO[C@H]1C(=C)C	ZINC001179797129	964993316	/nfs/dbraw/zinc/99/33/16/964993316.db2.gz	NLPKYLOMBKBCKJ-SQNIBIBYSA-N	1	0	365.518	1.925	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H]([NH+]2CCC(NC(=O)OC(C)(C)C)CC2)C1	ZINC001179896509	965021636	/nfs/dbraw/zinc/02/16/36/965021636.db2.gz	PHGIQZDQIMAUNU-ZFWWWQNUSA-N	1	0	350.463	1.736	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1CC[C@H]2CN(CC(=O)N(C)C(C)C)C[C@H]21	ZINC001187216390	965135739	/nfs/dbraw/zinc/13/57/39/965135739.db2.gz	AJWMLJRCAVDMFB-IXDOHACOSA-N	1	0	351.491	1.367	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)N3CCC(C)CC3)C[C@H]21	ZINC001187281139	965160941	/nfs/dbraw/zinc/16/09/41/965160941.db2.gz	TVLWNEGAAJILCF-FGTMMUONSA-N	1	0	363.502	1.369	20	30		FDEDRO
COC(=O)c1scc(C#N)c1NC(=O)CN1CC[NH+](C(C)C)CC1	ZINC001180342656	965234017	/nfs/dbraw/zinc/23/40/17/965234017.db2.gz	FFJMNXHPMZCRPR-UHFFFAOYSA-N	1	0	350.444	1.371	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3CN(CCOCC(F)(F)F)C[C@H]32)c1	ZINC001187465223	965376818	/nfs/dbraw/zinc/37/68/18/965376818.db2.gz	BXZCPEUVIKETOP-GXTWGEPZSA-N	1	0	356.348	1.612	20	30		FDEDRO
N#Cc1ccccc1OCCCNC(=O)CC[NH+]1CCC(C(N)=O)CC1	ZINC001180612647	965406652	/nfs/dbraw/zinc/40/66/52/965406652.db2.gz	FDXBEUNROMYXSR-UHFFFAOYSA-N	1	0	358.442	1.031	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](CCOc3ccccc3C)C[C@H]21	ZINC001187591285	965509315	/nfs/dbraw/zinc/50/93/15/965509315.db2.gz	JDUBCDRIJSIKCZ-ZWKOTPCHSA-N	1	0	369.465	1.046	20	30		FDEDRO
CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1	ZINC001187598342	965518951	/nfs/dbraw/zinc/51/89/51/965518951.db2.gz	MULGMRIGYIKKOC-JCGIZDLHSA-N	1	0	360.458	1.066	20	30		FDEDRO
CN1CCO[C@@H](C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1	ZINC001180762542	965575496	/nfs/dbraw/zinc/57/54/96/965575496.db2.gz	NGVBZMUNLKUCCS-GUDVDZBRSA-N	1	0	356.470	1.487	20	30		FDEDRO
CNC(=O)CCCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001187631230	965578540	/nfs/dbraw/zinc/57/85/40/965578540.db2.gz	MOOUWWKZDBVNGR-ZWKOTPCHSA-N	1	0	354.454	1.507	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](CCOc3ccccc3C)C[C@H]21	ZINC001187864949	965808110	/nfs/dbraw/zinc/80/81/10/965808110.db2.gz	HVSKEZGAPSCFTN-GBESFXJTSA-N	1	0	356.466	1.945	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc[nH]c3)[C@@H]2C1	ZINC001187985048	965943239	/nfs/dbraw/zinc/94/32/39/965943239.db2.gz	ZXYASGPFPMRFKS-RYQLBKOJSA-N	1	0	358.486	1.974	20	30		FDEDRO
C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ccnn3[C@H](C)CC)[C@@H]2C1	ZINC001188067679	965989317	/nfs/dbraw/zinc/98/93/17/965989317.db2.gz	FCBUMGJVLNBQNT-HLLBOEOZSA-N	1	0	359.474	1.303	20	30		FDEDRO
CC(C)C(=O)N(C)CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001188086859	965998061	/nfs/dbraw/zinc/99/80/61/965998061.db2.gz	CSXZWNXCBRSDHU-RBUKOAKNSA-N	1	0	368.481	1.705	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc4c(c3)NC(=O)C4)[C@@H]2C1	ZINC001188226554	966138229	/nfs/dbraw/zinc/13/82/29/966138229.db2.gz	QIWVPJCMYADYFE-PKOBYXMFSA-N	1	0	369.465	1.459	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4nc(C)[nH]c4C3)[C@@H]2C1	ZINC001188382216	966251700	/nfs/dbraw/zinc/25/17/00/966251700.db2.gz	HOSAPGMIWGPSGT-JTDSTZFVSA-N	1	0	358.486	1.558	20	30		FDEDRO
C[NH+]1CCN(Cc2ccccc2C(=O)N(O)C(=N)c2ccccc2N)CC1	ZINC001188353907	966268491	/nfs/dbraw/zinc/26/84/91/966268491.db2.gz	BHYKVIHVBDOGJF-UHFFFAOYSA-N	1	0	367.453	1.873	20	30		FDEDRO
C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C)cc43)[C@@H]2C1	ZINC001188441309	966290410	/nfs/dbraw/zinc/29/04/10/966290410.db2.gz	CTPYYFHWGBAIFP-WMLDXEAASA-N	1	0	367.453	1.320	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)[C@@H]2C1	ZINC001188485865	966315852	/nfs/dbraw/zinc/31/58/52/966315852.db2.gz	OOKJWYCZHXRKME-GVDBMIGSSA-N	1	0	354.516	1.700	20	30		FDEDRO
CCOc1cccc(CC(=O)N2CC[C@H]3C[N@H+](CC#CCOC)C[C@H]32)n1	ZINC001188623435	966470961	/nfs/dbraw/zinc/47/09/61/966470961.db2.gz	XWGXAYYRCHVBFA-FUHWJXTLSA-N	1	0	357.454	1.205	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cc(F)c(C)cc3F)[C@@H]2C1	ZINC001188636629	966482085	/nfs/dbraw/zinc/48/20/85/966482085.db2.gz	SFGBFXZVNHIIEC-HNAYVOBHSA-N	1	0	362.420	1.998	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4nc(C)n(C)c4c3)[C@@H]2C1	ZINC001188759538	966563344	/nfs/dbraw/zinc/56/33/44/966563344.db2.gz	AXFPFCZSORKJLF-FXAWDEMLSA-N	1	0	366.465	1.678	20	30		FDEDRO
CC#CCCCC(=O)N1CC[C@H]2C[N@H+](C[C@H](O)COCC(C)C)C[C@H]21	ZINC001188867613	966608070	/nfs/dbraw/zinc/60/80/70/966608070.db2.gz	XZAWBPDANYOBOY-GBESFXJTSA-N	1	0	350.503	1.746	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4cccnc43)[C@@H]2C1	ZINC001188917693	966628467	/nfs/dbraw/zinc/62/84/67/966628467.db2.gz	ILBOSQYFDMCMCJ-IPMKNSEASA-N	1	0	353.466	1.684	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC(F)(F)C(F)F)[C@@H]2C1	ZINC001189152024	966797556	/nfs/dbraw/zinc/79/75/56/966797556.db2.gz	XWMPUHXJDWSDJK-GRYCIOLGSA-N	1	0	365.371	1.500	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4[nH]c(=O)[nH]c4c3)[C@@H]2C1	ZINC001189253103	966856959	/nfs/dbraw/zinc/85/69/59/966856959.db2.gz	JAWWTWIOELOLGA-WMLDXEAASA-N	1	0	354.410	1.065	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cnn4cc(C)cnc34)[C@@H]2C1	ZINC001189267485	966888889	/nfs/dbraw/zinc/88/88/89/966888889.db2.gz	QKECMABMZTXTLS-DOTOQJQBSA-N	1	0	355.442	1.387	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CC[C@H]3C[N@H+](CCOCC4CC4)C[C@H]32)nn1	ZINC001189382815	966932499	/nfs/dbraw/zinc/93/24/99/966932499.db2.gz	WKJWBRLATVLBBZ-FUHWJXTLSA-N	1	0	359.474	1.427	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCN(C)S3(=O)=O)[C@@H]2C1	ZINC001189390485	966935266	/nfs/dbraw/zinc/93/52/66/966935266.db2.gz	CIAXOGJXJAGFSC-GVDBMIGSSA-N	1	0	369.531	1.299	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4n[nH]c(=O)n4c3)[C@@H]2C1	ZINC001189398826	966954234	/nfs/dbraw/zinc/95/42/34/966954234.db2.gz	OLQPRRCLEALZCM-IJEWVQPXSA-N	1	0	355.442	1.936	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4ccnc4)nn3)[C@@H]2C1	ZINC001189406816	966959467	/nfs/dbraw/zinc/95/94/67/966959467.db2.gz	ZRIQUVQYJXKMEB-DOTOQJQBSA-N	1	0	368.441	1.011	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[NH+]2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852193775	967084142	/nfs/dbraw/zinc/08/41/42/967084142.db2.gz	YHJMVKYIWQFTQI-GOSISDBHSA-N	1	0	358.442	1.098	20	30		FDEDRO
COc1ccc(CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1C#N	ZINC000852221061	967114931	/nfs/dbraw/zinc/11/49/31/967114931.db2.gz	NEQJAMNYCQEYFZ-KRWDZBQOSA-N	1	0	358.442	1.619	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCCS(=O)(=O)C3)[C@@H]2C1	ZINC001189675397	967143198	/nfs/dbraw/zinc/14/31/98/967143198.db2.gz	GVNZHVWKOVBVLM-YESZJQIVSA-N	1	0	354.516	1.700	20	30		FDEDRO
C[C@H](C#N)OCC[N@H+]1CCN(CCO[C@@H](C)C#N)c2ccc(O)cc2C1	ZINC000852253366	967154654	/nfs/dbraw/zinc/15/46/54/967154654.db2.gz	SFNTVXIWYPNDNV-CVEARBPZSA-N	1	0	358.442	1.872	20	30		FDEDRO
CCn1nc(C)c(CC(=O)N2CC[C@H]3C[N@H+](CC#CCOC)C[C@H]32)c1C	ZINC001189836040	967295427	/nfs/dbraw/zinc/29/54/27/967295427.db2.gz	OOWFHTUZKNXHRA-PKOBYXMFSA-N	1	0	358.486	1.245	20	30		FDEDRO
N#CCCNC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1	ZINC000852475040	967359419	/nfs/dbraw/zinc/35/94/19/967359419.db2.gz	XTDREWGSWBKYKE-KGLIPLIRSA-N	1	0	374.407	1.672	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C[C@@H]3C[C@H]3C3CC3)C[C@H]2C)CC1	ZINC000957653783	1013716663	/nfs/dbraw/zinc/71/66/63/1013716663.db2.gz	QVYGVIRXNQFZFZ-XFWGSAIBSA-N	1	0	371.525	1.731	20	30		FDEDRO
N#CCCNC(=O)C[NH+]1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1	ZINC000852600492	967456828	/nfs/dbraw/zinc/45/68/28/967456828.db2.gz	IZFUORDKVXBTNL-CQSZACIVSA-N	1	0	374.407	1.529	20	30		FDEDRO
C=CCNC(=O)C[NH+]1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1	ZINC000852602519	967459422	/nfs/dbraw/zinc/45/94/22/967459422.db2.gz	ZJTHUGMGAWXTGZ-AWEZNQCLSA-N	1	0	361.408	1.802	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Oc3cccc(C)c3)[C@@H]2C1	ZINC001190059414	967522505	/nfs/dbraw/zinc/52/25/05/967522505.db2.gz	RZYZSBCZJFXZJQ-CMKODMSKSA-N	1	0	356.466	1.945	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CNC(=O)Cc3ccccc3)[C@@H]2C1	ZINC001190058816	967522806	/nfs/dbraw/zinc/52/28/06/967522806.db2.gz	LRUGWIKUQULPLF-RBUKOAKNSA-N	1	0	355.482	1.844	20	30		FDEDRO
C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O	ZINC000852685880	967529370	/nfs/dbraw/zinc/52/93/70/967529370.db2.gz	LWMLMCRKYMHEFQ-GASCZTMLSA-N	1	0	360.458	1.845	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)NC(=O)c3ccccc3)[C@@H]2C1	ZINC001190072195	967546153	/nfs/dbraw/zinc/54/61/53/967546153.db2.gz	JMYMSTMTEXIBRV-NZSAHSFTSA-N	1	0	371.481	1.540	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3nc4ccccc4o3)[C@@H]2C1	ZINC001190116155	967572144	/nfs/dbraw/zinc/57/21/44/967572144.db2.gz	IRXDPUPTRXTRIW-FUHWJXTLSA-N	1	0	367.449	1.943	20	30		FDEDRO
COc1cc(CCNC(=O)C#CC2CC[NH2+]CC2)c([N+](=O)[O-])cc1OC	ZINC000852805880	967620367	/nfs/dbraw/zinc/62/03/67/967620367.db2.gz	ANRLBWQWSBPEMN-UHFFFAOYSA-N	1	0	361.398	1.274	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2C[C@H]([NH3+])C2)c1	ZINC000852817316	967629830	/nfs/dbraw/zinc/62/98/30/967629830.db2.gz	ACYNNMZFSBMNQZ-BWJDGMBRSA-N	1	0	350.444	1.175	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCC(n2cc(Br)cn2)CC1	ZINC000852838803	967648598	/nfs/dbraw/zinc/64/85/98/967648598.db2.gz	PFNPMMFQAFAKMS-UHFFFAOYSA-N	1	0	365.275	1.812	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)[C@@H]2C1	ZINC001190194479	967651858	/nfs/dbraw/zinc/65/18/58/967651858.db2.gz	SAFPQHURXWDSNB-HRCADAONSA-N	1	0	357.520	1.181	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NCc1cc2c(cc1OC(F)F)OCO2	ZINC000852850069	967656392	/nfs/dbraw/zinc/65/63/92/967656392.db2.gz	OXVDERYFMHZBRN-UHFFFAOYSA-N	1	0	352.337	1.636	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCC[NH2+]1	ZINC000852860316	967666450	/nfs/dbraw/zinc/66/64/50/967666450.db2.gz	BQRJOHDZAQEKPN-UTKZUKDTSA-N	1	0	370.497	1.703	20	30		FDEDRO
CC(C)(C)c1nc(CN2CCCN(C(=O)C#CC3CC[NH2+]CC3)CC2)no1	ZINC000852884198	967688456	/nfs/dbraw/zinc/68/84/56/967688456.db2.gz	GRQHQOWTFZEJQQ-UHFFFAOYSA-N	1	0	373.501	1.404	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1	ZINC000852887465	967690365	/nfs/dbraw/zinc/69/03/65/967690365.db2.gz	ANEHGODSPVRBOO-GOSISDBHSA-N	1	0	357.498	1.631	20	30		FDEDRO
C=CC[C@]1(C(=O)NCCS(=O)(=O)CCc2ccccc2)CCC[NH2+]1	ZINC000852891744	967693427	/nfs/dbraw/zinc/69/34/27/967693427.db2.gz	XIRJOWQNHXHCQK-GOSISDBHSA-N	1	0	350.484	1.458	20	30		FDEDRO
CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC#Cc3ccccc3)[C@@H]2C1	ZINC001190312319	967725764	/nfs/dbraw/zinc/72/57/64/967725764.db2.gz	STKDKJFWBAPSLY-VQTJNVASSA-N	1	0	367.493	1.828	20	30		FDEDRO
CCN(CC(=O)N1CC[C@H]2C[N@H+](CC#CCOC)C[C@H]21)c1ccccc1	ZINC001190318736	967732080	/nfs/dbraw/zinc/73/20/80/967732080.db2.gz	UGOYFHLAWAUPBP-AZUAARDMSA-N	1	0	355.482	1.695	20	30		FDEDRO
N#Cc1cccc(N2CCOC[C@]3(CCC[N@H+](C[C@H]4CCOC4)C3)C2)n1	ZINC001202487596	967809278	/nfs/dbraw/zinc/80/92/78/967809278.db2.gz	LYNUXPADZSIYIN-XLIONFOSSA-N	1	0	356.470	1.909	20	30		FDEDRO
COC[C@H](C)Oc1ccc(C=NNC(=S)NCCC[NH+](C)C)cc1	ZINC000853306343	967964461	/nfs/dbraw/zinc/96/44/61/967964461.db2.gz	UZFMTAPLEZTJIC-AWEZNQCLSA-N	1	0	352.504	1.850	20	30		FDEDRO
CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H](N(C)CC(=O)N(CC)CCC#N)C1	ZINC001190765602	968073807	/nfs/dbraw/zinc/07/38/07/968073807.db2.gz	NRLVULZXQMMUJQ-RYRKJORJSA-N	1	0	364.490	1.096	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1	ZINC000853652782	968227255	/nfs/dbraw/zinc/22/72/55/968227255.db2.gz	WDZTYLMNHOXPLO-GOSISDBHSA-N	1	0	372.469	1.985	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@@H]1CON=C(N)c1ccc(S(C)(=O)=O)cc1	ZINC000853662995	968232173	/nfs/dbraw/zinc/23/21/73/968232173.db2.gz	POCCMWKRCWCBQC-OAHLLOKOSA-N	1	0	353.488	1.990	20	30		FDEDRO
C#C[C@@H](NC(=O)Nc1ccccc1N1CC[NH+](C)CC1)C1CCOCC1	ZINC000853859209	968377813	/nfs/dbraw/zinc/37/78/13/968377813.db2.gz	SSLQOXRORUNWLI-QGZVFWFLSA-N	1	0	356.470	1.988	20	30		FDEDRO
C#CCCN(CCOC)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000853873101	968387620	/nfs/dbraw/zinc/38/76/20/968387620.db2.gz	TVYVAJXKHTZYOK-QZTJIDSGSA-N	1	0	351.491	1.436	20	30		FDEDRO
N#Cc1cc(C(=O)N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)ccn1	ZINC001191548546	968605437	/nfs/dbraw/zinc/60/54/37/968605437.db2.gz	KVEFPJWGRJHJSI-BHYGNILZSA-N	1	0	364.409	1.015	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1	ZINC000854113438	968607194	/nfs/dbraw/zinc/60/71/94/968607194.db2.gz	MVGXBGMGEYDWCW-SFHVURJKSA-N	1	0	357.454	1.439	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2N(C)C)C[C@H]1O	ZINC001191597852	968648007	/nfs/dbraw/zinc/64/80/07/968648007.db2.gz	FKUVQNRPTAYDIQ-KVSKMBFKSA-N	1	0	361.486	1.395	20	30		FDEDRO
CSC[C@@H](C)C(=O)N[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1O	ZINC001191814045	968765221	/nfs/dbraw/zinc/76/52/21/968765221.db2.gz	BOHAOTQSGPMMFF-KBRIMQKVSA-N	1	0	350.459	1.338	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)/C=C/C(C)(C)C)C1	ZINC001191823502	968799015	/nfs/dbraw/zinc/79/90/15/968799015.db2.gz	NIVGKMSSOKOOJH-YCKOOKFRSA-N	1	0	365.518	1.563	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H](CNc2cncc(C#N)n2)C2CCCC2)CC[N@@H+]1C	ZINC001110683936	968837382	/nfs/dbraw/zinc/83/73/82/968837382.db2.gz	QSHZFGQDZXPMIY-KBRIMQKVSA-N	1	0	356.474	1.775	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CCCOc3ccccc3)C[C@H]2O)c1	ZINC001192045947	968922029	/nfs/dbraw/zinc/92/20/29/968922029.db2.gz	MDZXRFPITSCMLG-QZTJIDSGSA-N	1	0	354.410	1.130	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@H+](CCc2ccccc2CC)C[C@H]1O	ZINC001192054665	968933166	/nfs/dbraw/zinc/93/31/66/968933166.db2.gz	XILGUYFCNUNWLM-WOJBJXKFSA-N	1	0	360.498	1.936	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000854632522	969036782	/nfs/dbraw/zinc/03/67/82/969036782.db2.gz	NHDGMHOYACTBMK-UXHICEINSA-N	1	0	369.509	1.904	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1CN(Cc2cc(-c3ccccc3)no2)C[C@H]1O	ZINC001192518761	969151417	/nfs/dbraw/zinc/15/14/17/969151417.db2.gz	YMLSTWHKDOAMQN-RTBURBONSA-N	1	0	353.422	1.806	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C(C)=C2CCC2)C1	ZINC001192769747	969277468	/nfs/dbraw/zinc/27/74/68/969277468.db2.gz	AESJKUIVOZJGKA-KBAYOESNSA-N	1	0	363.502	1.461	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](N(C)CC(=O)NC(C)(C)C)C1	ZINC001192794622	969302235	/nfs/dbraw/zinc/30/22/35/969302235.db2.gz	MODBVRJHHKQCAN-ZOBUZTSGSA-N	1	0	351.491	1.415	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCCCn2cncn2)[nH]1	ZINC001110450265	969306189	/nfs/dbraw/zinc/30/61/89/969306189.db2.gz	ZMJHFIOBLDJEJE-NXHRZFHOSA-N	1	0	367.457	1.683	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1O	ZINC001192925047	969383365	/nfs/dbraw/zinc/38/33/65/969383365.db2.gz	RQNLJARLOQPFCW-QZTJIDSGSA-N	1	0	356.507	1.726	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CC(=O)N3CCCC[C@H]23)c(OC)c1	ZINC000644641315	1013876756	/nfs/dbraw/zinc/87/67/56/1013876756.db2.gz	QXNVOBFTHOZFTJ-FGTMMUONSA-N	1	0	374.481	1.906	20	30		FDEDRO
COC(=O)c1cn([C@H]2CCC[N@H+](C[C@H](O)c3cccc(C#N)c3)C2)nn1	ZINC001193055538	969460053	/nfs/dbraw/zinc/46/00/53/969460053.db2.gz	XNJMRXMBVXTGOX-RDJZCZTQSA-N	1	0	355.398	1.307	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)N[C@H]1CC[C@H](N2CC[NH+](CC3CC3)CC2)CC1	ZINC001193173894	969502863	/nfs/dbraw/zinc/50/28/63/969502863.db2.gz	WSBFTOMFRBVMFY-DJIMGWMZSA-N	1	0	354.520	1.157	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cn3cccn3)o2)C1	ZINC001193140738	969510499	/nfs/dbraw/zinc/51/04/99/969510499.db2.gz	GIUXDDPWGUDAKI-DJIMGWMZSA-N	1	0	358.442	1.654	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)CCc2ccccc2)C[C@H]1O	ZINC001193337205	969642372	/nfs/dbraw/zinc/64/23/72/969642372.db2.gz	LDITZHJAYKJLKF-IPMKNSEASA-N	1	0	360.498	1.744	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1CN([C@H](C)C(=O)N2CCC(C)CC2)C[C@H]1O	ZINC001193345903	969646675	/nfs/dbraw/zinc/64/66/75/969646675.db2.gz	ZNEPUGQGKIXSOQ-BRWVUGGUSA-N	1	0	365.518	1.397	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[N@H+](CCCOc2ccc(OC)cc2)C[C@H]1O	ZINC001193376707	969668258	/nfs/dbraw/zinc/66/82/58/969668258.db2.gz	IQNCKPDIEJBKKI-RTBURBONSA-N	1	0	362.470	1.982	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1CN(Cc2ccc(OC)nc2)C[C@H]1O)OCC	ZINC001193422297	969697423	/nfs/dbraw/zinc/69/74/23/969697423.db2.gz	OJACWAATKDBDKO-BRWVUGGUSA-N	1	0	363.458	1.123	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(Cc3ccccc3)CCC2)C1	ZINC001193842558	969867022	/nfs/dbraw/zinc/86/70/22/969867022.db2.gz	DDYUDGFQMXRKPK-RTBURBONSA-N	1	0	358.482	1.763	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@@H+](CC)[C@H]2CCN(C)C2=O)CC1	ZINC000957755706	1013916424	/nfs/dbraw/zinc/91/64/24/1013916424.db2.gz	OCCZZMYRCBBOHI-SQNIBIBYSA-N	1	0	363.502	1.369	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1O	ZINC001193902627	969916078	/nfs/dbraw/zinc/91/60/78/969916078.db2.gz	VGZZHOPTZAYQRI-IPMKNSEASA-N	1	0	356.470	1.094	20	30		FDEDRO
N#Cc1cncc(C(=O)N(c2ncccc2F)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1	ZINC001194105312	970020076	/nfs/dbraw/zinc/02/00/76/970020076.db2.gz	QBPULGCNMMPXFL-DNVCBOLYSA-N	1	0	367.384	1.655	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2C[N@H+](CCCOC(C)C)C[C@H]2O)cc1	ZINC001194159716	970026769	/nfs/dbraw/zinc/02/67/69/970026769.db2.gz	JCAZUYFSTWIRKH-RTBURBONSA-N	1	0	362.470	1.841	20	30		FDEDRO
COC[C@@H]1CCC[N@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C1	ZINC000112960681	970134435	/nfs/dbraw/zinc/13/44/35/970134435.db2.gz	RARNAJUFQBEJDC-OAHLLOKOSA-N	1	0	356.426	1.638	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc(CCCC)cc2)C1	ZINC001194450805	970171576	/nfs/dbraw/zinc/17/15/76/970171576.db2.gz	HNZRXSNEXLZMJE-WOJBJXKFSA-N	1	0	360.498	1.936	20	30		FDEDRO
N#Cc1ccc([C@H](O)C(=O)NCC2CC[NH+](C3CCOCC3)CC2)cc1	ZINC000855200761	970206199	/nfs/dbraw/zinc/20/61/99/970206199.db2.gz	JBGNMNXDIIGHCF-IBGZPJMESA-N	1	0	357.454	1.599	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CC#N)C1	ZINC000855256361	970244666	/nfs/dbraw/zinc/24/46/66/970244666.db2.gz	LAALHLJDNQVROL-LSDHHAIUSA-N	1	0	352.479	1.984	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C)nc1C	ZINC001110461839	970428015	/nfs/dbraw/zinc/42/80/15/970428015.db2.gz	KWEPJWCWYUMNAE-KURKYZTESA-N	1	0	354.454	1.059	20	30		FDEDRO
CC(C)C[NH+]1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1	ZINC000101535448	970573797	/nfs/dbraw/zinc/57/37/97/970573797.db2.gz	HFLUAMLVZRALBA-FQEVSTJZSA-N	1	0	369.469	1.556	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCOCC1	ZINC001110465821	970667651	/nfs/dbraw/zinc/66/76/51/970667651.db2.gz	VGUYABSVIVEHDQ-KURKYZTESA-N	1	0	361.486	1.054	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccccc2C(N)=O)C1	ZINC001195198433	970761734	/nfs/dbraw/zinc/76/17/34/970761734.db2.gz	RCPWTHFJKAQGPM-QZTJIDSGSA-N	1	0	361.486	1.460	20	30		FDEDRO
C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cccc(Cl)c2Cl)C1	ZINC001198087427	972740153	/nfs/dbraw/zinc/74/01/53/972740153.db2.gz	BTETVMZYNGUCFJ-ZIAGYGMSSA-N	1	0	359.253	1.971	20	30		FDEDRO
CCCCCCCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O	ZINC001198087475	972740264	/nfs/dbraw/zinc/74/02/64/972740264.db2.gz	DGGSVFRGSRBIDT-RCCFBDPRSA-N	1	0	367.534	1.815	20	30		FDEDRO
C=CCN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)CCCCCCCC)C2)C1=O	ZINC001198087469	972740625	/nfs/dbraw/zinc/74/06/25/972740625.db2.gz	DCLPDWINGXKGNW-KZNAEPCWSA-N	1	0	365.518	1.685	20	30		FDEDRO
COC(=O)[C@@]1(OC)CC[N@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1	ZINC000863297609	972770061	/nfs/dbraw/zinc/77/00/61/972770061.db2.gz	YUHLXOUCORLIFT-GOSISDBHSA-N	1	0	355.398	1.347	20	30		FDEDRO
COC(=O)[C@]1(OC)CC[N@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1	ZINC000863297610	972770230	/nfs/dbraw/zinc/77/02/30/972770230.db2.gz	YUHLXOUCORLIFT-SFHVURJKSA-N	1	0	355.398	1.347	20	30		FDEDRO
CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1	ZINC000119421050	972845472	/nfs/dbraw/zinc/84/54/72/972845472.db2.gz	DSPJKSUBTPKDCP-CYBMUJFWSA-N	1	0	362.405	1.467	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CCOC)c2)C1	ZINC001198200069	972869201	/nfs/dbraw/zinc/86/92/01/972869201.db2.gz	LLAPSFDTJLPPJP-IAGOWNOFSA-N	1	0	350.463	1.051	20	30		FDEDRO
COC(=O)c1cc(C[NH2+]C[C@H](O)COc2ccccc2C#N)ccc1OC	ZINC000863550144	973004793	/nfs/dbraw/zinc/00/47/93/973004793.db2.gz	ZILRRDRDLBTDLW-INIZCTEOSA-N	1	0	370.405	1.883	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)C2CCCCC2)C1	ZINC001198345840	973004788	/nfs/dbraw/zinc/00/47/88/973004788.db2.gz	VUCPBPWDXJOBTP-USXIJHARSA-N	1	0	351.491	1.199	20	30		FDEDRO
Cc1nccn1-c1ncccc1C[NH2+]C[C@H](O)CC1(C#N)CCOCC1	ZINC000863551670	973009315	/nfs/dbraw/zinc/00/93/15/973009315.db2.gz	PFLOFLHGXXSYPF-QGZVFWFLSA-N	1	0	355.442	1.737	20	30		FDEDRO
CC(C)OC(=O)N1CCC([NH2+]C[C@H](O)CC2(C#N)CCOCC2)CC1	ZINC000863552774	973009820	/nfs/dbraw/zinc/00/98/20/973009820.db2.gz	PPGZSOXGYCBASP-MRXNPFEDSA-N	1	0	353.463	1.657	20	30		FDEDRO
COc1ccc(OC)c([C@@H](O)C[NH2+]C[C@H](O)COc2ccccc2C#N)c1	ZINC000863559796	973016981	/nfs/dbraw/zinc/01/69/81/973016981.db2.gz	VGHUVRCNILGYPZ-YJBOKZPZSA-N	1	0	372.421	1.638	20	30		FDEDRO
C#CC[C@H](COC)[NH2+]CCS(=O)(=O)c1cccc(Br)c1	ZINC000863589434	973037058	/nfs/dbraw/zinc/03/70/58/973037058.db2.gz	OLXIYTBUBRRZAQ-CYBMUJFWSA-N	1	0	360.273	1.851	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCOc2ccc(OC)cc2)C1	ZINC001198630920	973336132	/nfs/dbraw/zinc/33/61/32/973336132.db2.gz	RDBIRRCZVDRQJA-KFKAGJAMSA-N	1	0	362.470	1.980	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2nc(C(C)(C)C)no2)C1	ZINC001198622905	973366434	/nfs/dbraw/zinc/36/64/34/973366434.db2.gz	USLKBOPTRPMTGP-RBSFLKMASA-N	1	0	364.490	1.816	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2cccc(Cl)c2)C1	ZINC001198835949	973530338	/nfs/dbraw/zinc/53/03/38/973530338.db2.gz	SZHVPXBEBLIQLB-KBRIMQKVSA-N	1	0	352.862	1.807	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc(C3CC3)nn2C)C1	ZINC001198861802	973599228	/nfs/dbraw/zinc/59/92/28/973599228.db2.gz	CLGOCRSOSPTYPC-HZPDHXFCSA-N	1	0	361.490	1.143	20	30		FDEDRO
C#CCC[NH2+][C@@H](CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C)c1ccccc1OC	ZINC001198902841	973633951	/nfs/dbraw/zinc/63/39/51/973633951.db2.gz	QJKXATFIAVERCT-BBWFWOEESA-N	1	0	357.454	1.190	20	30		FDEDRO
N#Cc1ccccc1CN1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1	ZINC001199023873	973805146	/nfs/dbraw/zinc/80/51/46/973805146.db2.gz	RFSZITLKWVBVDJ-RTBURBONSA-N	1	0	356.470	1.096	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)NC(=O)NCCC)C1	ZINC001199051448	973859707	/nfs/dbraw/zinc/85/97/07/973859707.db2.gz	PPEBECWCMOWRDO-HZPDHXFCSA-N	1	0	370.538	1.606	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3onc(CC)c3c2)C1	ZINC001199127377	973927521	/nfs/dbraw/zinc/92/75/21/973927521.db2.gz	AQCNHDLNSIVRKN-CSMYWGQOSA-N	1	0	358.442	1.915	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N[C@@H]2C[N@H+](CCCOCC)C[C@H]2O)cc1	ZINC001199216426	974031181	/nfs/dbraw/zinc/03/11/81/974031181.db2.gz	GXECOPKUQMOWOA-RTBURBONSA-N	1	0	362.470	1.382	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](CCCCCOC)C[C@H]2O)CCCCC1	ZINC001199277983	974159385	/nfs/dbraw/zinc/15/93/85/974159385.db2.gz	JWTVTHBMGUWNJN-QZTJIDSGSA-N	1	0	350.503	1.938	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](C[C@H]3CC(C)(C)CO3)C[C@H]2O)CCCCC1	ZINC001199277959	974159832	/nfs/dbraw/zinc/15/98/32/974159832.db2.gz	JADJCUVKQWKXBF-KZNAEPCWSA-N	1	0	362.514	1.937	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCCOc2ccccc2C)C[C@H]1O	ZINC001199330949	974197401	/nfs/dbraw/zinc/19/74/01/974197401.db2.gz	JRQPNHYBHNGULA-KZNAEPCWSA-N	1	0	362.470	1.516	20	30		FDEDRO
C#C[C@H]([NH2+]C1CC(C(=O)OC(C)C)(C(=O)OC(C)C)C1)[C@H]1CCCO1	ZINC000776003035	974434084	/nfs/dbraw/zinc/43/40/84/974434084.db2.gz	VDPTXZPXSJFPEV-JKSUJKDBSA-N	1	0	351.443	1.809	20	30		FDEDRO
N#Cc1cc(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)co1	ZINC000865791597	974492049	/nfs/dbraw/zinc/49/20/49/974492049.db2.gz	FAJGYCXDRRGBDB-UHFFFAOYSA-N	1	0	358.442	1.606	20	30		FDEDRO
CC(C)(C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)CS(N)(=O)=O	ZINC000865814322	974514962	/nfs/dbraw/zinc/51/49/62/974514962.db2.gz	RMJKHACLTVKPEI-UHFFFAOYSA-N	1	0	350.488	1.431	20	30		FDEDRO
COCC[N@H+](C)CCN1C[C@H](Nc2snc(Cl)c2C#N)CC1=O	ZINC000865887090	974549137	/nfs/dbraw/zinc/54/91/37/974549137.db2.gz	QOKFRJOLKLBFLS-SNVBAGLBSA-N	1	0	357.867	1.259	20	30		FDEDRO
C#CCSCC(=O)O[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000885894226	974568804	/nfs/dbraw/zinc/56/88/04/974568804.db2.gz	MCUKAKWKWPUGHT-WBVHZDCISA-N	1	0	360.479	1.675	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C#N)cc1F	ZINC001110546300	974639205	/nfs/dbraw/zinc/63/92/05/974639205.db2.gz	SRCVMJGDQCRRGK-AZFSHXRASA-N	1	0	355.413	1.957	20	30		FDEDRO
COC(=O)[C@H](Cc1ccc(C#N)cc1)NC(=S)NCC[NH+]1CCCCC1	ZINC001200445073	974770878	/nfs/dbraw/zinc/77/08/78/974770878.db2.gz	RMEOLKLKUVCUCG-KRWDZBQOSA-N	1	0	374.510	1.592	20	30		FDEDRO
O=C(N1CCCO[C@H](C[NH2+]CC#Cc2ccccc2)C1)[C@]12C[C@H]1COC2	ZINC001200546761	974816085	/nfs/dbraw/zinc/81/60/85/974816085.db2.gz	IERZDUALEMXIID-ZVDOUQERSA-N	1	0	354.450	1.282	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]CCOC[C@@H]2CCCO2)CC1	ZINC001200637556	974853931	/nfs/dbraw/zinc/85/39/31/974853931.db2.gz	XHNXQQIWDCURSS-OTWHNJEPSA-N	1	0	366.502	1.744	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COC	ZINC001110560141	974952784	/nfs/dbraw/zinc/95/27/84/974952784.db2.gz	ZPVXFFKNEJOKJM-TVFCKZIOSA-N	1	0	354.491	1.478	20	30		FDEDRO
CC(C)NS(=O)(=O)c1ccc([N-][NH+]=Cc2c[nH+]ccc2N(C)C)nc1	ZINC000776185771	975039335	/nfs/dbraw/zinc/03/93/35/975039335.db2.gz	LPJZLIXSFDVMBV-UHFFFAOYSA-N	1	0	362.459	1.675	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCOC2CCC2)C1	ZINC001201437500	975060248	/nfs/dbraw/zinc/06/02/48/975060248.db2.gz	DJHHGGRSZWZPRX-KURKYZTESA-N	1	0	352.475	1.354	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2cn(CC(OCC)OCC)nn2)CC1	ZINC000106035498	975066001	/nfs/dbraw/zinc/06/60/01/975066001.db2.gz	JVMJGQGUCOZSGX-UHFFFAOYSA-N	1	0	365.478	1.448	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1	ZINC000867404298	975149307	/nfs/dbraw/zinc/14/93/07/975149307.db2.gz	KWMMZCKAVZUXJT-RBUKOAKNSA-N	1	0	355.482	1.796	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCC(F)F	ZINC001110575409	975251413	/nfs/dbraw/zinc/25/14/13/975251413.db2.gz	KNNOANAUHPLBER-SUJAAXHWSA-N	1	0	358.429	1.971	20	30		FDEDRO
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1	ZINC000847352072	975515959	/nfs/dbraw/zinc/51/59/59/975515959.db2.gz	AZAGRGHRUQAYIK-APIJFGDWSA-N	1	0	365.478	1.385	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1	ZINC000645346159	1014266402	/nfs/dbraw/zinc/26/64/02/1014266402.db2.gz	XBVIXFPOVMMPBK-SFHVURJKSA-N	1	0	359.470	1.217	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1	ZINC000847605535	975898777	/nfs/dbraw/zinc/89/87/77/975898777.db2.gz	CITRPYPHYXTONV-QZTJIDSGSA-N	1	0	355.438	1.770	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N1C2CCC1(C[NH3+])CC2	ZINC000866794885	976061380	/nfs/dbraw/zinc/06/13/80/976061380.db2.gz	RQDBFCXYJQWABT-UHFFFAOYSA-N	1	0	370.272	1.965	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)OCC[C@@H]2CC[N@@H+](C)C2)cc1	ZINC000847830177	976076941	/nfs/dbraw/zinc/07/69/41/976076941.db2.gz	OQJMPJOTUAZRRA-AWEZNQCLSA-N	1	0	350.440	1.097	20	30		FDEDRO
C[C@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)C1CC[NH2+]CC1	ZINC000866812579	976088691	/nfs/dbraw/zinc/08/86/91/976088691.db2.gz	FADQBPXHIOVGSK-JTQLQIEISA-N	1	0	372.288	1.987	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCNS(C)(=O)=O	ZINC001110595148	976208274	/nfs/dbraw/zinc/20/82/74/976208274.db2.gz	BSYISMHNKACDAC-OAGGEKHMSA-N	1	0	355.504	1.026	20	30		FDEDRO
COC(=O)C1(C#N)CCN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000848194458	976467053	/nfs/dbraw/zinc/46/70/53/976467053.db2.gz	IIBAWXCJIRYQMP-KRWDZBQOSA-N	1	0	355.438	1.814	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCCOC	ZINC001110601433	976714745	/nfs/dbraw/zinc/71/47/45/976714745.db2.gz	YRZLWPTZFCYDOM-FPCVCCKLSA-N	1	0	374.909	1.511	20	30		FDEDRO
C[NH2+][C@@H](C)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1	ZINC000848397694	976718203	/nfs/dbraw/zinc/71/82/03/976718203.db2.gz	JPORQLMWAJPALT-BPHPCYGNSA-N	1	0	366.487	1.826	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1	ZINC000867811833	976914540	/nfs/dbraw/zinc/91/45/40/976914540.db2.gz	GHCAXDLCKCQFMS-RDJZCZTQSA-N	1	0	363.483	1.317	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000867945957	977125269	/nfs/dbraw/zinc/12/52/69/977125269.db2.gz	ARBBEDJJRFATEY-HXUWFJFHSA-N	1	0	363.417	1.875	20	30		FDEDRO
C[C@H](N1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1)C(F)(F)F	ZINC000867958429	977142158	/nfs/dbraw/zinc/14/21/58/977142158.db2.gz	RHEMXIAVIABBJP-LRDDRELGSA-N	1	0	366.387	1.840	20	30		FDEDRO
Cn1cc(N2CCC[C@@H](NC(=O)[C@@H]3[NH2+]CCc4cc(C#N)ccc43)C2)cn1	ZINC000867963228	977147700	/nfs/dbraw/zinc/14/77/00/977147700.db2.gz	UUPDAZRNXUPNOC-VQIMIIECSA-N	1	0	364.453	1.264	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCOCC2(CCOCC2)C1	ZINC000867980088	977163943	/nfs/dbraw/zinc/16/39/43/977163943.db2.gz	SELDEOOODTZKNO-GOSISDBHSA-N	1	0	355.438	1.401	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCCN1C[C@H]2CCCCN2C1=O	ZINC000867985681	977170764	/nfs/dbraw/zinc/17/07/64/977170764.db2.gz	LKDAMWFCXUDXLX-AEFFLSMTSA-N	1	0	367.453	1.151	20	30		FDEDRO
COC(=O)c1ccc(CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)c(F)c1	ZINC000867985530	977170901	/nfs/dbraw/zinc/17/09/01/977170901.db2.gz	GSLGVSITPDQCNQ-SFHVURJKSA-N	1	0	367.380	1.987	20	30		FDEDRO
Cc1cccc(CN2CCO[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C2)c1	ZINC000867998681	977182877	/nfs/dbraw/zinc/18/28/77/977182877.db2.gz	YXUPXGACIAMHPO-RTBURBONSA-N	1	0	358.486	1.723	20	30		FDEDRO
N#CCc1ccc(NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1	ZINC000868098998	977284471	/nfs/dbraw/zinc/28/44/71/977284471.db2.gz	UQAZYYLWXIAZAD-OAGGEKHMSA-N	1	0	355.398	1.151	20	30		FDEDRO
CCOC(=O)C[C@H](C)CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000849001571	977286688	/nfs/dbraw/zinc/28/66/88/977286688.db2.gz	COBWLFYWEQMDDM-UONOGXRCSA-N	1	0	368.478	1.456	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCCNc2ccc(C#N)cn2)cc1OC	ZINC000849071919	977302522	/nfs/dbraw/zinc/30/25/22/977302522.db2.gz	QOQIDTOQYSMWGF-UHFFFAOYSA-N	1	0	354.414	1.697	20	30		FDEDRO
CC(C)(C)OC(=O)CCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000849077780	977305201	/nfs/dbraw/zinc/30/52/01/977305201.db2.gz	MXKAWAOEGBCYKM-CYBMUJFWSA-N	1	0	368.478	1.599	20	30		FDEDRO
CCNC(NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)=[NH+]CC	ZINC000849104560	977317452	/nfs/dbraw/zinc/31/74/52/977317452.db2.gz	QVPORXDLCKQTRK-MRXNPFEDSA-N	1	0	364.465	1.418	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1	ZINC000868166795	977330307	/nfs/dbraw/zinc/33/03/07/977330307.db2.gz	NKVCIEXPHSJCRO-CQSZACIVSA-N	1	0	373.354	1.809	20	30		FDEDRO
N#Cc1cccc([C@@H](NC(=O)N2CCCO[C@@H](C[NH3+])C2)C(F)(F)F)c1	ZINC000868210888	977348142	/nfs/dbraw/zinc/34/81/42/977348142.db2.gz	RDFYARDSZPYTKR-UONOGXRCSA-N	1	0	356.348	1.921	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)cc1	ZINC000868267125	977419198	/nfs/dbraw/zinc/41/91/98/977419198.db2.gz	WJMIJFWAVIPVJR-MRXNPFEDSA-N	1	0	372.469	1.435	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000645473674	1014415241	/nfs/dbraw/zinc/41/52/41/1014415241.db2.gz	VXCCFKMIQVTUBM-OALUTQOASA-N	1	0	359.470	1.351	20	30		FDEDRO
Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2ccc(OCC#N)cc2)cn1	ZINC000849515645	977708976	/nfs/dbraw/zinc/70/89/76/977708976.db2.gz	HALMGZDPEAAFSG-MOPGFXCFSA-N	1	0	367.453	1.674	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N1CCC(CC)([NH+]2CCCC2)CC1	ZINC000868490603	977709173	/nfs/dbraw/zinc/70/91/73/977709173.db2.gz	CWIUKJOYBCZFAB-UHFFFAOYSA-N	1	0	357.520	1.637	20	30		FDEDRO
Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2ccc(C#N)cc2F)cn1	ZINC000849521315	977714962	/nfs/dbraw/zinc/71/49/62/977714962.db2.gz	DDUMTSMOYQWQOL-IAGOWNOFSA-N	1	0	355.417	1.783	20	30		FDEDRO
C#CCN1CCN(C(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)CC1	ZINC000849540678	977724218	/nfs/dbraw/zinc/72/42/18/977724218.db2.gz	HOXXTTDDWODGKJ-OALUTQOASA-N	1	0	357.502	1.011	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1(C)C	ZINC000868578541	977786363	/nfs/dbraw/zinc/78/63/63/977786363.db2.gz	DMLFDVNEHWKTPL-GOSISDBHSA-N	1	0	355.486	1.351	20	30		FDEDRO
C=CCC[C@H](NC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)C(=O)OCC	ZINC000849602827	977827480	/nfs/dbraw/zinc/82/74/80/977827480.db2.gz	RBKOTGLTNUFESZ-ULQDDVLXSA-N	1	0	362.474	1.470	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1	ZINC000868653411	977870542	/nfs/dbraw/zinc/87/05/42/977870542.db2.gz	VERFROZOEKVGRF-JCNLHEQBSA-N	1	0	363.483	1.246	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(N(CC)C(=O)[C@H]2CCC[N@@H+]2C)C1	ZINC000967839436	1014438224	/nfs/dbraw/zinc/43/82/24/1014438224.db2.gz	HUJHJJHEBOGJJZ-KSZLIROESA-N	1	0	363.502	1.511	20	30		FDEDRO
COc1cc(C(=O)OCC(=O)NC2CC[NH+](C(C)C)CC2)ccc1C#N	ZINC000849901777	978043943	/nfs/dbraw/zinc/04/39/43/978043943.db2.gz	KFXFMAVTXXVWDO-UHFFFAOYSA-N	1	0	359.426	1.713	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(c2cc(C)ncn2)CC1	ZINC001110630121	978875772	/nfs/dbraw/zinc/87/57/72/978875772.db2.gz	MPLLSAIXIVRHDV-SJLPKXTDSA-N	1	0	355.486	1.556	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC(N(CC)C(=O)[C@@H]3C[C@H]3C3CCC3)C2)CC1	ZINC000967999174	1014535965	/nfs/dbraw/zinc/53/59/65/1014535965.db2.gz	BEFUGPJPEDQTAS-VQTJNVASSA-N	1	0	371.525	1.827	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH+]1CCC(Cc2nc(-c3cc(C)ccn3)no2)CC1	ZINC000880281919	979070072	/nfs/dbraw/zinc/07/00/72/979070072.db2.gz	RMIRPXOYTCYRKS-HNNXBMFYSA-N	1	0	367.453	1.832	20	30		FDEDRO
CC(=O)N1C[C@@H]2C[N@H+]([C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)C[C@@H]2C1	ZINC000880309724	979086582	/nfs/dbraw/zinc/08/65/82/979086582.db2.gz	IOYNXYFDNQBBQG-BHYGNILZSA-N	1	0	372.444	1.871	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1	ZINC000968005744	1014548805	/nfs/dbraw/zinc/54/88/05/1014548805.db2.gz	QKWSURIFEPKTQV-FGTMMUONSA-N	1	0	365.518	1.613	20	30		FDEDRO
C#CCC1(O)CC[NH+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1	ZINC000880476805	979218106	/nfs/dbraw/zinc/21/81/06/979218106.db2.gz	GLVGQVQFVFESJS-UHFFFAOYSA-N	1	0	371.481	1.194	20	30		FDEDRO
C#CCC1(O)CC[NH+]([C@H](C)C(=O)NC[C@H]2COc3ccccc3O2)CC1	ZINC000880482028	979223548	/nfs/dbraw/zinc/22/35/48/979223548.db2.gz	VOCFFJRNICVRIH-CVEARBPZSA-N	1	0	358.438	1.181	20	30		FDEDRO
CCCCCC[C@@](O)(C[NH+]1CCN(c2ccc(C#N)nc2)CC1)C(=O)OC	ZINC000851999791	979259644	/nfs/dbraw/zinc/25/96/44/979259644.db2.gz	KBAGCFXRORWOLB-HXUWFJFHSA-N	1	0	374.485	1.950	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[NH2+][C@@H](Cn1ccnc1)c1ccccc1	ZINC000880571700	979316996	/nfs/dbraw/zinc/31/69/96/979316996.db2.gz	UBFIXTXJFLWDAS-SFHVURJKSA-N	1	0	350.426	1.870	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3C[C@H](O)CC4(CCOCC4)C3)C2=O)cc1	ZINC000880582314	979325591	/nfs/dbraw/zinc/32/55/91/979325591.db2.gz	MVPBVWBBEPWIRF-MOPGFXCFSA-N	1	0	369.465	1.917	20	30		FDEDRO
CC[N@H+](CCO)CCNC(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F	ZINC000880929326	979531065	/nfs/dbraw/zinc/53/10/65/979531065.db2.gz	HDECLZBMAMRCBB-CQSZACIVSA-N	1	0	358.364	1.775	20	30		FDEDRO
COC[C@@H]([NH3+])Cc1cn(CC(=O)/C=C2\N(C)c3ccccc3C2(C)C)nn1	ZINC000880982730	979561306	/nfs/dbraw/zinc/56/13/06/979561306.db2.gz	GDVUJDGXCDRUHN-VAODSVERSA-N	1	0	369.469	1.675	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)Cn3cc(CCC#N)nn3)cc2)CC1	ZINC000881390355	979903161	/nfs/dbraw/zinc/90/31/61/979903161.db2.gz	OUGLHKUYOSTJNH-UHFFFAOYSA-N	1	0	367.457	1.515	20	30		FDEDRO
C=CCOC[C@H]([NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)C(=O)[O-]	ZINC000901810910	980531467	/nfs/dbraw/zinc/53/14/67/980531467.db2.gz	PBIDYADGKIUVEE-INIZCTEOSA-N	1	0	367.877	1.837	20	30		FDEDRO
CS(=O)(=O)NCC1CC[NH+](CCCOc2ccc(C#N)cc2)CC1	ZINC000796259216	1014667074	/nfs/dbraw/zinc/66/70/74/1014667074.db2.gz	GGLGDEPBROKJOX-UHFFFAOYSA-N	1	0	351.472	1.588	20	30		FDEDRO
Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)cc1C#N	ZINC000882635286	980772333	/nfs/dbraw/zinc/77/23/33/980772333.db2.gz	FBJDAYJUBZEYEY-IBGZPJMESA-N	1	0	356.470	1.393	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNS(=O)(=O)c3ccc(C#N)o3)cc2)CC1	ZINC000882662682	980803115	/nfs/dbraw/zinc/80/31/15/980803115.db2.gz	KMRSZUMVCQRNQF-UHFFFAOYSA-N	1	0	360.439	1.382	20	30		FDEDRO
C#Cc1ccc(C(=O)N(CC)C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000968203674	1014750630	/nfs/dbraw/zinc/75/06/30/1014750630.db2.gz	RHBNWXKHFNDQFU-DNVCBOLYSA-N	1	0	353.466	1.681	20	30		FDEDRO
N#CCc1cccc2c1CCN(C(=O)NC[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)C2	ZINC000858191922	981903656	/nfs/dbraw/zinc/90/36/56/981903656.db2.gz	FGALOOXLSLMBBD-QZTJIDSGSA-N	1	0	354.454	1.684	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccc(Br)c(C#N)n1	ZINC000883087796	981933731	/nfs/dbraw/zinc/93/37/31/981933731.db2.gz	JEYSFWYZXLIUMM-SNVBAGLBSA-N	1	0	367.251	1.083	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)NCc2ccc(-n3ccnc3C)nc2)CC1	ZINC000883166536	981992677	/nfs/dbraw/zinc/99/26/77/981992677.db2.gz	CGLZIKOSAARKNB-UHFFFAOYSA-N	1	0	353.426	1.636	20	30		FDEDRO
C=CCC[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)[C@H]1Cc2ccccc2O1	ZINC000883192265	982006354	/nfs/dbraw/zinc/00/63/54/982006354.db2.gz	UTOQBLXXTRNQRJ-SJLPKXTDSA-N	1	0	365.495	1.854	20	30		FDEDRO
C[C@@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(OCC#N)cc1	ZINC000858488965	982075229	/nfs/dbraw/zinc/07/52/29/982075229.db2.gz	OUGXLUXCPHHQQU-ZBFHGGJFSA-N	1	0	363.425	1.956	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+][C@H]1CCCN(CCN2CCOCC2)C1	ZINC000883371395	982099548	/nfs/dbraw/zinc/09/95/48/982099548.db2.gz	IXFMYDRVZBNJSU-FQEVSTJZSA-N	1	0	371.529	1.510	20	30		FDEDRO
C#CCCOc1ccc(C[NH2+][C@H]2CCCN(CCN3CCOCC3)C2)cc1	ZINC000883372331	982101503	/nfs/dbraw/zinc/10/15/03/982101503.db2.gz	XAMCADVFWFYQQC-NRFANRHFSA-N	1	0	371.525	1.975	20	30		FDEDRO
C=C(C)C[C@H](CO)NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1	ZINC000883501175	982221838	/nfs/dbraw/zinc/22/18/38/982221838.db2.gz	CCTBWJAWNREBOO-MRXNPFEDSA-N	1	0	368.522	1.239	20	30		FDEDRO
CC[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000883601804	982298450	/nfs/dbraw/zinc/29/84/50/982298450.db2.gz	GTOUFBUDKJRKRJ-IAGOWNOFSA-N	1	0	355.442	1.053	20	30		FDEDRO
C#C[C@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCCO1	ZINC000883627341	982323767	/nfs/dbraw/zinc/32/37/67/982323767.db2.gz	YSOJHEJRLSPYDV-OALUTQOASA-N	1	0	356.470	1.418	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1	ZINC000859017002	982459743	/nfs/dbraw/zinc/45/97/43/982459743.db2.gz	BZGHIZYCSQERRL-GOSISDBHSA-N	1	0	351.491	1.559	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1	ZINC000859031022	982468772	/nfs/dbraw/zinc/46/87/72/982468772.db2.gz	CZYIMFFHKCIBKR-QGZVFWFLSA-N	1	0	350.507	1.225	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000859131294	982562080	/nfs/dbraw/zinc/56/20/80/982562080.db2.gz	NWRSUTOCAOYCDZ-HUUCEWRRSA-N	1	0	353.463	1.657	20	30		FDEDRO
C=CCNC(=O)N1CC[C@H]([NH+]2CCC(NC(=O)OC(C)(C)C)CC2)C1	ZINC001202569479	982597569	/nfs/dbraw/zinc/59/75/69/982597569.db2.gz	GCIQUSLUFGIRBR-HNNXBMFYSA-N	1	0	352.479	1.945	20	30		FDEDRO
CC[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)C1CN(C(=O)OC(C)(C)C)C1	ZINC000859202385	982616775	/nfs/dbraw/zinc/61/67/75/982616775.db2.gz	PFQLMVYEWRXZDG-INIZCTEOSA-N	1	0	367.490	1.999	20	30		FDEDRO
C[N@H+](CCCNC(=O)C1CCC1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000429559071	982666245	/nfs/dbraw/zinc/66/62/45/982666245.db2.gz	WCKSGUFIMUVTRU-GOSISDBHSA-N	1	0	354.454	1.902	20	30		FDEDRO
C[N@H+](CCCNC(=O)C1CCC1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000429559074	982666456	/nfs/dbraw/zinc/66/64/56/982666456.db2.gz	WCKSGUFIMUVTRU-SFHVURJKSA-N	1	0	354.454	1.902	20	30		FDEDRO
CC1CC[NH+](C[C@H]2CCCN(C(=O)CNc3ccc(C#N)cn3)C2)CC1	ZINC000331389349	982701596	/nfs/dbraw/zinc/70/15/96/982701596.db2.gz	DIXDQKSPWDIFMF-GOSISDBHSA-N	1	0	355.486	2.336	20	30		FDEDRO
CN(CC(=O)Nc1ccccc1Cl)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884052852	982770149	/nfs/dbraw/zinc/77/01/49/982770149.db2.gz	DAXNCBKKACWEAR-XYEKJYRLSA-N	1	0	360.845	1.876	20	30		FDEDRO
Cc1cccc(C)c1NC(=O)CN(C)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884053844	982772439	/nfs/dbraw/zinc/77/24/39/982772439.db2.gz	IUMDRYLIDILQJH-LFDOHDQPSA-N	1	0	354.454	1.840	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(N3CCCC3=O)cc1)C2	ZINC000884061261	982792683	/nfs/dbraw/zinc/79/26/83/982792683.db2.gz	BFRLOTVPYJCPEU-LFDOHDQPSA-N	1	0	352.438	1.569	20	30		FDEDRO
COC(=O)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccc(C)cc1	ZINC000884130581	982913073	/nfs/dbraw/zinc/91/30/73/982913073.db2.gz	NYFVBHFKKXIZTK-ZEVUXNIQSA-N	1	0	355.438	1.507	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NCCNC(=O)c2c(F)cccc2F)C1	ZINC000884145855	982925805	/nfs/dbraw/zinc/92/58/05/982925805.db2.gz	ULWJRELOPWCPLC-CYBMUJFWSA-N	1	0	364.396	1.091	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1	ZINC000884163543	982939870	/nfs/dbraw/zinc/93/98/70/982939870.db2.gz	JJUJAMRKWWZIKM-INIZCTEOSA-N	1	0	350.507	1.268	20	30		FDEDRO
Cc1ccc([C@H](O)CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)cc1	ZINC000133890735	982949344	/nfs/dbraw/zinc/94/93/44/982949344.db2.gz	HKLBUIHAHMNFQE-DLBZAZTESA-N	1	0	374.485	1.909	20	30		FDEDRO
Cc1nc2ccccc2n1CCCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884179492	982952279	/nfs/dbraw/zinc/95/22/79/982952279.db2.gz	QHVJWADHXNPHPV-LFDOHDQPSA-N	1	0	351.454	1.990	20	30		FDEDRO
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884181182	982954232	/nfs/dbraw/zinc/95/42/32/982954232.db2.gz	XUGIEASTTHZRDB-IDYZSHNDSA-N	1	0	368.481	1.621	20	30		FDEDRO
Cn1ccnc1[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1cccc(F)c1	ZINC000884182138	982957353	/nfs/dbraw/zinc/95/73/53/982957353.db2.gz	ZQXQICKGARBYRY-RHELOZEPSA-N	1	0	367.428	1.904	20	30		FDEDRO
Cc1cc(N2CCOCC2)ccc1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884194162	982970380	/nfs/dbraw/zinc/97/03/80/982970380.db2.gz	AUGUDRRXNXQGNL-NGEICVOHSA-N	1	0	354.454	1.910	20	30		FDEDRO
C[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccc(N2CCOCC2)cc1	ZINC000884203314	982978549	/nfs/dbraw/zinc/97/85/49/982978549.db2.gz	TYZIMUHSZHLAHI-BQSYYEAHSA-N	1	0	368.481	1.840	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCN(c3ccc(F)cc3F)C1)C2	ZINC000884213887	982991230	/nfs/dbraw/zinc/99/12/30/982991230.db2.gz	NYWJBEDFPIRGAI-GXJBLNRDSA-N	1	0	360.408	1.799	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000884219829	982994163	/nfs/dbraw/zinc/99/41/63/982994163.db2.gz	YUINQRNSGUAUCQ-MSOLQXFVSA-N	1	0	359.470	1.414	20	30		FDEDRO
COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884307886	983071665	/nfs/dbraw/zinc/07/16/65/983071665.db2.gz	XWFCOURTHOLZNP-ASPXRTSYSA-N	1	0	353.422	1.252	20	30		FDEDRO
CCc1cc(N2CCC[C@@H](NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)C2)ncn1	ZINC000884311609	983074617	/nfs/dbraw/zinc/07/46/17/983074617.db2.gz	HIOKBCGVWOGAOA-KLRDNXEFSA-N	1	0	368.485	1.263	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCC1CCN(CC(F)(F)F)CC1)C2	ZINC000884318160	983079703	/nfs/dbraw/zinc/07/97/03/983079703.db2.gz	OQYBVRCBQVNYPF-BBBYJDLNSA-N	1	0	358.408	1.516	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000884328775	983089047	/nfs/dbraw/zinc/08/90/47/983089047.db2.gz	XFJXSRFPGLEPDC-NXHRZFHOSA-N	1	0	359.470	1.460	20	30		FDEDRO
COC(=O)CC[C@H](Cc1ccccc1)NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884330288	983090003	/nfs/dbraw/zinc/09/00/03/983090003.db2.gz	JKYJTYIXYJGPCG-UISNHOIMSA-N	1	0	369.465	1.806	20	30		FDEDRO
CN(C(=O)[C@@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1)c1ccccc1	ZINC000884335304	983094055	/nfs/dbraw/zinc/09/40/55/983094055.db2.gz	OYWAGTPBZHYYMW-HRXNXTQESA-N	1	0	366.465	1.637	20	30		FDEDRO
CN(C(=O)[C@@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1)c1ccccc1	ZINC000884335301	983094198	/nfs/dbraw/zinc/09/41/98/983094198.db2.gz	OYWAGTPBZHYYMW-BAQZJKQNSA-N	1	0	366.465	1.637	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H]2CCNC(=O)CC2)[nH]1	ZINC001095329690	983177443	/nfs/dbraw/zinc/17/74/43/983177443.db2.gz	XRTSXWXLSXFUFO-IRWJRLHMSA-N	1	0	355.442	1.138	20	30		FDEDRO
N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)c2)s1	ZINC000884552063	983240053	/nfs/dbraw/zinc/24/00/53/983240053.db2.gz	QBXOOMWSVWYHRG-GJZGRUSLSA-N	1	0	366.446	1.476	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2	ZINC000860426115	983391086	/nfs/dbraw/zinc/39/10/86/983391086.db2.gz	TYMFIJMEDINLQI-SJLPKXTDSA-N	1	0	354.450	1.970	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1COC(=O)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1	ZINC000860530455	983433069	/nfs/dbraw/zinc/43/30/69/983433069.db2.gz	XMWZPCRYKTVQMC-ZFWWWQNUSA-N	1	0	362.376	1.959	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1	ZINC000861515611	983758298	/nfs/dbraw/zinc/75/82/98/983758298.db2.gz	HPPJOCZEVIHDBO-JSGCOSHPSA-N	1	0	353.344	1.592	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1COc3ccc(F)cc3C1)C2	ZINC001110806230	983837268	/nfs/dbraw/zinc/83/72/68/983837268.db2.gz	FKBPZVPARPFFGO-OWYHZJEWSA-N	1	0	372.440	1.748	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@H+](C)C[C@H](C(=O)[O-])C1)C(C)C	ZINC001588826617	984304830	/nfs/dbraw/zinc/30/48/30/984304830.db2.gz	NANLKTIXYAFZSZ-DLBZAZTESA-N	1	0	366.506	1.343	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@H](C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000862311599	984322532	/nfs/dbraw/zinc/32/25/32/984322532.db2.gz	PCWSILOFWMHDOI-ZIAGYGMSSA-N	1	0	362.492	1.201	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1	ZINC000884855354	984891759	/nfs/dbraw/zinc/89/17/59/984891759.db2.gz	DNCVAWHRAPFCPN-GVDBMIGSSA-N	1	0	365.518	1.840	20	30		FDEDRO
N#C[C@]1(C(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)CCCOC1	ZINC000869141795	984908377	/nfs/dbraw/zinc/90/83/77/984908377.db2.gz	DPZRRNPQMHMRPZ-SVFBPWRDSA-N	1	0	369.465	1.809	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1	ZINC000884889500	984935192	/nfs/dbraw/zinc/93/51/92/984935192.db2.gz	HYBLDJNGKLFVHV-CYBMUJFWSA-N	1	0	354.248	1.088	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1	ZINC000884967254	985015754	/nfs/dbraw/zinc/01/57/54/985015754.db2.gz	CYAGUPZENZBNDT-GOSISDBHSA-N	1	0	368.481	1.967	20	30		FDEDRO
N#CCCc1ccc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1	ZINC000885023639	985102098	/nfs/dbraw/zinc/10/20/98/985102098.db2.gz	CRDOKPKOOQGPPN-MRXNPFEDSA-N	1	0	351.472	1.268	20	30		FDEDRO
C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(CCC#N)cc2)[C@H](C)C1	ZINC000885119591	985187969	/nfs/dbraw/zinc/18/79/69/985187969.db2.gz	GIWTYDBWWJJFEY-CABCVRRESA-N	1	0	351.472	1.218	20	30		FDEDRO
C=CCCC[C@H](NC(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1)c1ccccc1	ZINC000885218549	985250440	/nfs/dbraw/zinc/25/04/40/985250440.db2.gz	XRMHVCBEBKSRRZ-BPQIPLTHSA-N	1	0	359.470	1.775	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F	ZINC000885279032	985282317	/nfs/dbraw/zinc/28/23/17/985282317.db2.gz	ARGSVDCDZDPWQS-INIZCTEOSA-N	1	0	365.424	1.605	20	30		FDEDRO
C=CC[C@@H]1N(C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CCCC1(C)C	ZINC000885280650	985285095	/nfs/dbraw/zinc/28/50/95/985285095.db2.gz	RRFFBYGGOPJOEP-KBPBESRZSA-N	1	0	357.445	1.941	20	30		FDEDRO
C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(CCC#N)cc1	ZINC000885291490	985295096	/nfs/dbraw/zinc/29/50/96/985295096.db2.gz	ONLSQYDFCQWKCG-INIZCTEOSA-N	1	0	366.531	1.693	20	30		FDEDRO
CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCOCC(F)(F)C(F)F)C1	ZINC000646112391	1015149891	/nfs/dbraw/zinc/14/98/91/1015149891.db2.gz	PVQFKHBARHCLAP-SNVBAGLBSA-N	1	0	354.266	1.904	20	30		FDEDRO
C[C@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000885845655	985692615	/nfs/dbraw/zinc/69/26/15/985692615.db2.gz	OOBODFZETPWXSB-HNNXBMFYSA-N	1	0	356.451	1.994	20	30		FDEDRO
C[C@H]1C[N@H+](C[C@H](O)CC2(C#N)CCC2)CCN1C[C@H](O)CC1(C#N)CCC1	ZINC000886066786	985858550	/nfs/dbraw/zinc/85/85/50/985858550.db2.gz	CPQXUXOOKKFUMI-IPMKNSEASA-N	1	0	374.529	1.882	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc3nonc3c2)c[nH]1	ZINC001095337083	986074247	/nfs/dbraw/zinc/07/42/47/986074247.db2.gz	FDQSUNCAGFHGRN-JLSDUUJJSA-N	1	0	362.393	1.958	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@]2(CO)CCCN(C(=O)OC(C)(C)C)C2)C1=O	ZINC000886429315	986208392	/nfs/dbraw/zinc/20/83/92/986208392.db2.gz	ZMCLUVOBIUJTKV-KDOFPFPSSA-N	1	0	353.463	1.125	20	30		FDEDRO
C#CCN(C(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1)C1CC[NH+](C)CC1	ZINC000886578812	986379378	/nfs/dbraw/zinc/37/93/78/986379378.db2.gz	MKXRAJHGKOWIDW-SJORKVTESA-N	1	0	373.478	1.247	20	30		FDEDRO
C#CCN(C(=O)c1nn(CC)c2ccccc2c1=O)C1CC[NH+](C)CC1	ZINC000886580992	986383545	/nfs/dbraw/zinc/38/35/45/986383545.db2.gz	FXSNTCUXEKPNRZ-UHFFFAOYSA-N	1	0	352.438	1.586	20	30		FDEDRO
C#CCN(C(=O)CCc1nc2ccccc2c(=O)[nH]1)C1CC[NH+](C)CC1	ZINC000886589157	986397768	/nfs/dbraw/zinc/39/77/68/986397768.db2.gz	LPNDOTXAXLVCOZ-UHFFFAOYSA-N	1	0	352.438	1.824	20	30		FDEDRO
C=C(C)[C@H](CO)[N@H+]1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1	ZINC000886882364	986684714	/nfs/dbraw/zinc/68/47/14/986684714.db2.gz	OVHCMXYRSFBKAV-QXGUJMOYSA-N	1	0	353.459	1.766	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c(C#N)c1	ZINC000871804689	987249569	/nfs/dbraw/zinc/24/95/69/987249569.db2.gz	FVCITWOXSZHAFP-USXIJHARSA-N	1	0	363.483	1.774	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1	ZINC000888596782	987519749	/nfs/dbraw/zinc/51/97/49/987519749.db2.gz	DKPRASFFTHHUIM-SJORKVTESA-N	1	0	351.491	1.477	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H]2CC(=O)c3ccccc3O2)c1	ZINC000872233164	987531212	/nfs/dbraw/zinc/53/12/12/987531212.db2.gz	OKJRHZBZFVUATB-HNNXBMFYSA-N	1	0	370.430	1.956	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CC(=O)c2ccccc2O1	ZINC000872233525	987531872	/nfs/dbraw/zinc/53/18/72/987531872.db2.gz	UCPYOGUQYUDLCM-CVEARBPZSA-N	1	0	352.390	1.922	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H](O)CN1C(=O)c3ccccc3C1=O)C2	ZINC000872237804	987535727	/nfs/dbraw/zinc/53/57/27/987535727.db2.gz	AZANZXFPLKCLES-DLBZAZTESA-N	1	0	361.401	1.272	20	30		FDEDRO
CC(C)(C#N)c1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)cc1	ZINC000872616396	987861954	/nfs/dbraw/zinc/86/19/54/987861954.db2.gz	CXMQLCKFFDFESI-JKSUJKDBSA-N	1	0	363.483	1.317	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1	ZINC000298867652	987921379	/nfs/dbraw/zinc/92/13/79/987921379.db2.gz	YGRUGHBNSPBJSN-UHFFFAOYSA-N	1	0	368.481	1.994	20	30		FDEDRO
CNC(=O)CCCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000298922895	987957045	/nfs/dbraw/zinc/95/70/45/987957045.db2.gz	GORGYPZNWRUJHX-UHFFFAOYSA-N	1	0	357.458	1.302	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1	ZINC000293159140	987979073	/nfs/dbraw/zinc/97/90/73/987979073.db2.gz	IHJWGODSHPSHHK-LJQANCHMSA-N	1	0	359.401	1.330	20	30		FDEDRO
C[N@@H+]1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CCC1(C)C	ZINC000872695585	987983712	/nfs/dbraw/zinc/98/37/12/987983712.db2.gz	ICAMXQWVEVALGW-UHFFFAOYSA-N	1	0	369.469	1.696	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc2c1CN(CCC)C2	ZINC000293211496	987990797	/nfs/dbraw/zinc/99/07/97/987990797.db2.gz	BCIMPSIYGJICOK-UHFFFAOYSA-N	1	0	356.470	1.422	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)C2=O)cc1	ZINC000360324059	987990865	/nfs/dbraw/zinc/99/08/65/987990865.db2.gz	SRGUISNRCNFZAR-FHWLQOOXSA-N	1	0	354.454	1.195	20	30		FDEDRO
C=CCn1c(C)nn(CN2CCC([NH+]3CCN(C)CC3)CC2)c1=S	ZINC000872731724	988017303	/nfs/dbraw/zinc/01/73/03/988017303.db2.gz	GLMDNXMFWDAMGH-UHFFFAOYSA-N	1	0	350.536	1.578	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+][C@H]3CCN(C4CCOCC4)C3=O)CC2)cc1	ZINC000360419526	988023725	/nfs/dbraw/zinc/02/37/25/988023725.db2.gz	QGHZIDZGBGEGBT-FQEVSTJZSA-N	1	0	368.481	1.897	20	30		FDEDRO
N#CCOc1ccc(/C=C/C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1	ZINC000360584789	988080672	/nfs/dbraw/zinc/08/06/72/988080672.db2.gz	OIKCVVFYZGPOGW-DCQHUWKXSA-N	1	0	355.438	1.660	20	30		FDEDRO
C[C@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC[N@@H+](C2CCC2)C1	ZINC000293719828	988176316	/nfs/dbraw/zinc/17/63/16/988176316.db2.gz	PHNCEJSUZCCJLK-OAHLLOKOSA-N	1	0	354.454	1.621	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1	ZINC000365976016	988274714	/nfs/dbraw/zinc/27/47/14/988274714.db2.gz	VZRBJTLIFQZOSM-OWCLPIDISA-N	1	0	354.458	1.260	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21	ZINC000361277809	988321334	/nfs/dbraw/zinc/32/13/34/988321334.db2.gz	FXEHSDSOXAAILB-SOLBZPMBSA-N	1	0	373.453	1.656	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)C[C@H](C)O1	ZINC000361299165	988330304	/nfs/dbraw/zinc/33/03/04/988330304.db2.gz	OPXRIKYNOGFASB-GQIGUUNPSA-N	1	0	371.481	1.939	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c(F)c1	ZINC000873106151	988564121	/nfs/dbraw/zinc/56/41/21/988564121.db2.gz	FEPLLPIJSGYOJH-VHSXEESVSA-N	1	0	358.295	1.231	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1	ZINC000873107394	988568563	/nfs/dbraw/zinc/56/85/63/988568563.db2.gz	QOQJUVRWQXGXFP-IFXJQAMLSA-N	1	0	356.426	1.352	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000362066315	988572889	/nfs/dbraw/zinc/57/28/89/988572889.db2.gz	MYDWVVOKFRFQNO-UWVAXJGDSA-N	1	0	370.497	1.810	20	30		FDEDRO
C[C@]12C[NH2+]C[C@H]1CN(C(=O)Nc1cnn(Cc3ccc(C#N)cc3)c1)C2	ZINC000873333578	988718863	/nfs/dbraw/zinc/71/88/63/988718863.db2.gz	JLFIHNFZEKHDMB-QFBILLFUSA-N	1	0	350.426	1.876	20	30		FDEDRO
C=CCN1CC[C@H](N2CC(C)(C)N([C@H]3CCN(CC=C)C3=O)C[C@H]2C)C1=O	ZINC000295849604	988786851	/nfs/dbraw/zinc/78/68/51/988786851.db2.gz	BWFDWCMYEUEEEB-SQNIBIBYSA-N	1	0	374.529	1.345	20	30		FDEDRO
C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CC(=O)NCc2cccc(C#N)c2)C[C@@H](C)O1	ZINC000363035301	988852937	/nfs/dbraw/zinc/85/29/37/988852937.db2.gz	KDAJKVBFQOCGSR-HLIPFELVSA-N	1	0	370.497	1.748	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)CC1	ZINC000363102879	988922543	/nfs/dbraw/zinc/92/25/43/988922543.db2.gz	XNABXZFRQSUSTF-MRXNPFEDSA-N	1	0	355.438	1.262	20	30		FDEDRO
N#Cc1ccccc1OCC[NH+]1CCC(CC(=O)N2CCOCC2)CC1	ZINC000363129828	988942265	/nfs/dbraw/zinc/94/22/65/988942265.db2.gz	MJMSICLIAREIQE-UHFFFAOYSA-N	1	0	357.454	1.898	20	30		FDEDRO
CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000367578308	988956862	/nfs/dbraw/zinc/95/68/62/988956862.db2.gz	VKPDVBVPNRGKFU-GKQOSVPQSA-N	1	0	360.502	1.034	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(C(=O)[C@@]2(C#N)CCc3ccccc3C2)CC1	ZINC000367699734	988961183	/nfs/dbraw/zinc/96/11/83/988961183.db2.gz	RMFAHZQNNGCPRS-NRFANRHFSA-N	1	0	355.482	1.990	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1C#N	ZINC000873679816	988980671	/nfs/dbraw/zinc/98/06/71/988980671.db2.gz	WZRKJQPRNKWLNG-UHFFFAOYSA-N	1	0	370.453	1.982	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N1CCN(C)[C@H](C#N)C1	ZINC000368816353	989011287	/nfs/dbraw/zinc/01/12/87/989011287.db2.gz	JYDJCMWRPPZDEM-KBAYOESNSA-N	1	0	356.474	1.141	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)C[C@@H]2CCC[N@@H+](CC)[C@H]2c2cnn(C)c2)C1=O	ZINC000369070190	989023638	/nfs/dbraw/zinc/02/36/38/989023638.db2.gz	HGUDVCRMAURFDV-QXAKKESOSA-N	1	0	359.518	1.912	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)cc1	ZINC000363282131	989059046	/nfs/dbraw/zinc/05/90/46/989059046.db2.gz	HMAPXMGMHJBYOW-MJGOQNOKSA-N	1	0	372.469	1.737	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C[C@H]1CN(Cc2ccccc2)CCO1	ZINC000363297000	989069458	/nfs/dbraw/zinc/06/94/58/989069458.db2.gz	IFHMUNGYHKCUNX-FQEVSTJZSA-N	1	0	372.513	1.971	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cnccc2C(F)(F)F)CC1	ZINC000873735005	989088192	/nfs/dbraw/zinc/08/81/92/989088192.db2.gz	VRFKEPSPBRGHDZ-UHFFFAOYSA-N	1	0	356.348	1.806	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)c1	ZINC000296304202	989106947	/nfs/dbraw/zinc/10/69/47/989106947.db2.gz	JOTNGSNWLAYGKW-YJBOKZPZSA-N	1	0	371.485	1.860	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)nc1	ZINC000363462056	989219765	/nfs/dbraw/zinc/21/97/65/989219765.db2.gz	GLOJWXRINROFJN-ZWKOTPCHSA-N	1	0	368.485	1.848	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1C#N	ZINC000873819073	989252077	/nfs/dbraw/zinc/25/20/77/989252077.db2.gz	KDYSJOVDFOFUKB-KRWDZBQOSA-N	1	0	370.453	1.982	20	30		FDEDRO
Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21	ZINC000873832243	989277323	/nfs/dbraw/zinc/27/73/23/989277323.db2.gz	JOHMULSWEXWUCQ-SUMWQHHRSA-N	1	0	358.417	1.887	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O	ZINC000296558986	989282390	/nfs/dbraw/zinc/28/23/90/989282390.db2.gz	WSNFEHJWMHUFMP-GOSISDBHSA-N	1	0	372.469	1.050	20	30		FDEDRO
CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(OC)c(C#N)c1	ZINC000873880564	989381557	/nfs/dbraw/zinc/38/15/57/989381557.db2.gz	UXEJINLAKYNMQS-UHFFFAOYSA-N	1	0	358.442	1.840	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCCN(c2cc(CC)ncn2)C1	ZINC000296728378	989387714	/nfs/dbraw/zinc/38/77/14/989387714.db2.gz	CQMADRDFYQPVGU-QGZVFWFLSA-N	1	0	358.490	1.262	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)cc1C#N	ZINC000873897179	989412925	/nfs/dbraw/zinc/41/29/25/989412925.db2.gz	KDGZMICIXQTNDP-CYBMUJFWSA-N	1	0	356.426	1.448	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCC(NC(=O)c2ccoc2C)CC1	ZINC000296933636	989450395	/nfs/dbraw/zinc/45/03/95/989450395.db2.gz	OZXAHCQAXOGZGB-UHFFFAOYSA-N	1	0	360.458	1.447	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)NCc3cccc(C#N)c3)C2)CC1	ZINC000363920334	989460356	/nfs/dbraw/zinc/46/03/56/989460356.db2.gz	INVLWYKIUJNPHP-LJQANCHMSA-N	1	0	355.486	1.868	20	30		FDEDRO
CC(C)[NH+]1CCN([C@H]2CCN(C(=O)NCc3cccc(C#N)c3)C2)CC1	ZINC000363920332	989460633	/nfs/dbraw/zinc/46/06/33/989460633.db2.gz	INVLWYKIUJNPHP-IBGZPJMESA-N	1	0	355.486	1.868	20	30		FDEDRO
N#Cc1ncn(C2CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)n1	ZINC000370133219	989478214	/nfs/dbraw/zinc/47/82/14/989478214.db2.gz	QFHMRAOVUVAZPQ-INIZCTEOSA-N	1	0	352.398	1.098	20	30		FDEDRO
N#Cc1ncn(C2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)n1	ZINC000370133220	989478353	/nfs/dbraw/zinc/47/83/53/989478353.db2.gz	QFHMRAOVUVAZPQ-MRXNPFEDSA-N	1	0	352.398	1.098	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCC2CCC(C#N)CC2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000370139142	989485256	/nfs/dbraw/zinc/48/52/56/989485256.db2.gz	BXFWCXPBRGPDBO-UGXKVIGPSA-N	1	0	361.534	1.984	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)cc1C#N	ZINC000873949473	989512925	/nfs/dbraw/zinc/51/29/25/989512925.db2.gz	ZPPDRPMSRUNJNX-INIZCTEOSA-N	1	0	374.441	1.075	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1C#N	ZINC000873950064	989514346	/nfs/dbraw/zinc/51/43/46/989514346.db2.gz	UYBYLYBHHMKFTB-HNNXBMFYSA-N	1	0	370.453	1.744	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1C#N	ZINC000873950065	989514570	/nfs/dbraw/zinc/51/45/70/989514570.db2.gz	UYBYLYBHHMKFTB-OAHLLOKOSA-N	1	0	370.453	1.744	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC2(CC1)CC[NH+](C)CC2	ZINC000874013016	989639827	/nfs/dbraw/zinc/63/98/27/989639827.db2.gz	IUUFMWNRHBCUDY-UHFFFAOYSA-N	1	0	370.453	1.840	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1	ZINC000297819587	989709776	/nfs/dbraw/zinc/70/97/76/989709776.db2.gz	PYSJHIVOHRFXJX-FUHWJXTLSA-N	1	0	359.470	1.779	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)Cc3ccc(OCC#N)cc3)C2)CC1	ZINC000370421039	989730234	/nfs/dbraw/zinc/73/02/34/989730234.db2.gz	CDHQAUADCGYCAI-LJQANCHMSA-N	1	0	370.497	1.758	20	30		FDEDRO
CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)Oc3ccc(C#N)cc3)C2)CC1	ZINC000370422746	989731406	/nfs/dbraw/zinc/73/14/06/989731406.db2.gz	GJYZKIFLZRHZOS-HKUYNNGSSA-N	1	0	370.497	1.952	20	30		FDEDRO
CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000370477128	989775339	/nfs/dbraw/zinc/77/53/39/989775339.db2.gz	MKJSCIMAHIQZKC-GOSISDBHSA-N	1	0	354.454	1.602	20	30		FDEDRO
CN1CC[NH+](C[C@@H]2CCCN(C(=O)NCCc3cccc(C#N)c3)C2)CC1	ZINC000370632331	989910178	/nfs/dbraw/zinc/91/01/78/989910178.db2.gz	ZJPYNMGVINHNNS-FQEVSTJZSA-N	1	0	369.513	1.770	20	30		FDEDRO
C[C@H](CNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1)[N@H+](C)C1CC1	ZINC000365064214	989994625	/nfs/dbraw/zinc/99/46/25/989994625.db2.gz	BZLBUDXNLDRXOV-KDOFPFPSSA-N	1	0	354.454	1.648	20	30		FDEDRO
CC#CCCCC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC[NH+](C)C	ZINC000298554834	990156677	/nfs/dbraw/zinc/15/66/77/990156677.db2.gz	LPEBUONUHVELSG-IBGZPJMESA-N	1	0	355.482	1.811	20	30		FDEDRO
COCC[N@@H+]1CCCN(C(=O)/C=C/c2ccc(OCC#N)c(OC)c2)CC1	ZINC000298600767	990189766	/nfs/dbraw/zinc/18/97/66/990189766.db2.gz	VJOWOCASRFTOPU-FNORWQNLSA-N	1	0	373.453	1.791	20	30		FDEDRO
CCOC(=O)CCCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000298645964	990214102	/nfs/dbraw/zinc/21/41/02/990214102.db2.gz	BIYSABZGRXKDEG-UHFFFAOYSA-N	1	0	360.458	1.975	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccn(C)c(=O)c1	ZINC001095433102	990341703	/nfs/dbraw/zinc/34/17/03/990341703.db2.gz	XKXOQRKABIJRBA-GFEQUFNTSA-N	1	0	371.481	1.588	20	30		FDEDRO
CC[NH+]=C(NCc1c(C)nn(C)c1C)N1CC[C@H](CN2CCOCC2)C1	ZINC000125131331	990499073	/nfs/dbraw/zinc/49/90/73/990499073.db2.gz	LJHFMQAOMLQBBC-QGZVFWFLSA-N	1	0	362.522	1.157	20	30		FDEDRO
C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCNC(=O)C2N=CC=CC2=O)C1	ZINC000371529720	990505760	/nfs/dbraw/zinc/50/57/60/990505760.db2.gz	UPNUZZVRSPSQFW-HCKAZOGZSA-N	1	0	368.437	1.117	20	30		FDEDRO
Cn1cc(CNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(-c2ccc(C#N)cc2)n1	ZINC000371540476	990512362	/nfs/dbraw/zinc/51/23/62/990512362.db2.gz	YANWNPOREUUOCH-RBUKOAKNSA-N	1	0	351.454	1.912	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C	ZINC000874990987	990688711	/nfs/dbraw/zinc/68/87/11/990688711.db2.gz	XCBFGDRFTNPTAI-ZIAGYGMSSA-N	1	0	351.472	1.012	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1	ZINC000875010053	990724533	/nfs/dbraw/zinc/72/45/33/990724533.db2.gz	CQIZHTKLLLDHDX-GOSISDBHSA-N	1	0	357.454	1.053	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1	ZINC000875095523	990883184	/nfs/dbraw/zinc/88/31/84/990883184.db2.gz	BNDQLSNIRMFMID-MRXNPFEDSA-N	1	0	352.523	1.095	20	30		FDEDRO
CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000372215817	990966104	/nfs/dbraw/zinc/96/61/04/990966104.db2.gz	FYLKFQNZPDDJNL-SXGZJXTBSA-N	1	0	369.469	1.772	20	30		FDEDRO
CCOC(=O)c1nn(C)cc1CN1CCCN(c2ncccc2C#N)CC1	ZINC000372224621	990969726	/nfs/dbraw/zinc/96/97/26/990969726.db2.gz	ZMYXYAINXRHFDE-UHFFFAOYSA-N	1	0	368.441	1.576	20	30		FDEDRO
N#Cc1ccc(CNC(=O)CN2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc1	ZINC000372283043	990994047	/nfs/dbraw/zinc/99/40/47/990994047.db2.gz	RBLMDTQVFXARCG-INIZCTEOSA-N	1	0	368.397	1.616	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1	ZINC000875198384	991055232	/nfs/dbraw/zinc/05/52/32/991055232.db2.gz	MPCKNMMIMUGWHP-HZPDHXFCSA-N	1	0	351.491	1.158	20	30		FDEDRO
C#CCCCNC(=O)C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1	ZINC000875239415	991170831	/nfs/dbraw/zinc/17/08/31/991170831.db2.gz	CQGOWNUEFPTNTQ-UHFFFAOYSA-N	1	0	355.482	1.935	20	30		FDEDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F	ZINC000875270904	991232298	/nfs/dbraw/zinc/23/22/98/991232298.db2.gz	AUYURIXIIQZOOO-GJZGRUSLSA-N	1	0	369.391	1.707	20	30		FDEDRO
CN1CC[NH+]([C@H]2CCCCN(C(=O)COc3ccc(C#N)cc3)C2)CC1	ZINC000372627323	991279162	/nfs/dbraw/zinc/27/91/62/991279162.db2.gz	YWIXFXQXSKVFQC-SFHVURJKSA-N	1	0	356.470	1.566	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1	ZINC000410435229	991347452	/nfs/dbraw/zinc/34/74/52/991347452.db2.gz	PXLQOBLOKUUBMV-SFHVURJKSA-N	1	0	372.469	1.086	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000410440572	991376298	/nfs/dbraw/zinc/37/62/98/991376298.db2.gz	XNAMIISIZRQWJM-HDICACEKSA-N	1	0	364.534	1.428	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000372936168	991699812	/nfs/dbraw/zinc/69/98/12/991699812.db2.gz	WIVHXVXUSFIIPD-CVEARBPZSA-N	1	0	359.426	1.003	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2	ZINC000875555194	991730023	/nfs/dbraw/zinc/73/00/23/991730023.db2.gz	LOVHFKAKTNBYEI-IAGOWNOFSA-N	1	0	351.491	1.721	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1	ZINC000372984113	991737792	/nfs/dbraw/zinc/73/77/92/991737792.db2.gz	TYJCTWMGCVOGQY-IBGZPJMESA-N	1	0	374.529	1.067	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1	ZINC000875595822	991780577	/nfs/dbraw/zinc/78/05/77/991780577.db2.gz	FFJFUGKZMAONMG-NUJGCVRESA-N	1	0	361.486	1.006	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000875602006	991790940	/nfs/dbraw/zinc/79/09/40/991790940.db2.gz	XCJUSXRJEDRXJD-NZSAHSFTSA-N	1	0	371.481	1.025	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NCCC1CC[NH+](C(C)C)CC1	ZINC000875683175	991906515	/nfs/dbraw/zinc/90/65/15/991906515.db2.gz	GLGMSRKESXTHMJ-UHFFFAOYSA-N	1	0	360.296	1.638	20	30		FDEDRO
CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCN(c2ccccc2C#N)CC1	ZINC000410889326	991972836	/nfs/dbraw/zinc/97/28/36/991972836.db2.gz	YKSXVJRQNQNUJM-UHFFFAOYSA-N	1	0	371.485	1.005	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1	ZINC000410908750	991992963	/nfs/dbraw/zinc/99/29/63/991992963.db2.gz	JCUPAJDLYDDABE-GOSISDBHSA-N	1	0	365.518	1.618	20	30		FDEDRO
COC(=O)C1=CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000875806085	992016988	/nfs/dbraw/zinc/01/69/88/992016988.db2.gz	WCWQZIWGJNPKNX-SFHVURJKSA-N	1	0	370.453	1.893	20	30		FDEDRO
Cc1c(C#N)c(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)nn1C	ZINC000875808225	992020308	/nfs/dbraw/zinc/02/03/08/992020308.db2.gz	ODMOHOUZWWHWQO-RDJZCZTQSA-N	1	0	369.473	1.786	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1	ZINC000875916366	992187592	/nfs/dbraw/zinc/18/75/92/992187592.db2.gz	GNTRWMXQCYJSMC-GOSISDBHSA-N	1	0	364.534	1.474	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1	ZINC000875918165	992190281	/nfs/dbraw/zinc/19/02/81/992190281.db2.gz	MWXIDJYKWFFOEO-GOSISDBHSA-N	1	0	364.534	1.615	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)N2CCN(CCC#N)CC2)(c2ccccc2)CC1	ZINC000876067979	992272648	/nfs/dbraw/zinc/27/26/48/992272648.db2.gz	FHCMUWDLCUZFIY-UHFFFAOYSA-N	1	0	369.513	1.891	20	30		FDEDRO
N#CCC1(O)CN(C(=O)[C@H]2CC[N@H+](C[C@@H]3CCCc4ccccc43)C2)C1	ZINC000373836483	992475836	/nfs/dbraw/zinc/47/58/36/992475836.db2.gz	LWDKOUAXFSCMPC-ROUUACIJSA-N	1	0	353.466	1.915	20	30		FDEDRO
C#CC[C@H]1CCCN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1	ZINC000825877259	992597888	/nfs/dbraw/zinc/59/78/88/992597888.db2.gz	WRLPVEMBOVZBSL-KRWDZBQOSA-N	1	0	370.497	1.923	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1	ZINC000964925224	1015720738	/nfs/dbraw/zinc/72/07/38/1015720738.db2.gz	MBIASLGWCFSTGR-AOIWGVFYSA-N	1	0	363.502	1.561	20	30		FDEDRO
CN1C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)CC1=O	ZINC001095491962	992650136	/nfs/dbraw/zinc/65/01/36/992650136.db2.gz	NTMHMQHAPPIWLH-BDXSIMOUSA-N	1	0	352.438	1.258	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCOc2ccccc21)N[C@@H]1CCc2nc(C)nn2C1	ZINC000125988523	992667366	/nfs/dbraw/zinc/66/73/66/992667366.db2.gz	KNGAKNZFZSRNRI-LSDHHAIUSA-N	1	0	354.458	1.633	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C	ZINC000876562922	992707255	/nfs/dbraw/zinc/70/72/55/992707255.db2.gz	VLFDPHQVYDVJLO-GFCCVEGCSA-N	1	0	374.894	1.411	20	30		FDEDRO
COC(=O)[C@@H]1CN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC[N@H+](C)C1	ZINC000411924709	992709022	/nfs/dbraw/zinc/70/90/22/992709022.db2.gz	YDVSSDDCFSEOCN-OCCSQVGLSA-N	1	0	362.430	1.132	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)CC1	ZINC000374233306	992713694	/nfs/dbraw/zinc/71/36/94/992713694.db2.gz	XCEPNUAMNAOGSZ-LPHOPBHVSA-N	1	0	353.466	1.637	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccccc2OC)CC1	ZINC000876580382	992716724	/nfs/dbraw/zinc/71/67/24/992716724.db2.gz	KQSLUOYQHMRLSP-CQSZACIVSA-N	1	0	351.834	1.450	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F	ZINC000876581940	992718458	/nfs/dbraw/zinc/71/84/58/992718458.db2.gz	RNVRNUCVXAIDSC-CABZTGNLSA-N	1	0	354.760	1.146	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@@H](O)COc1cccc(F)c1	ZINC000876586647	992721753	/nfs/dbraw/zinc/72/17/53/992721753.db2.gz	HBEHQUVOBXCMRT-APWZRJJASA-N	1	0	369.396	1.440	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1	ZINC000876609481	992740330	/nfs/dbraw/zinc/74/03/30/992740330.db2.gz	SVOXRXHFZQXRPH-INIZCTEOSA-N	1	0	365.861	1.473	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)cc1	ZINC000411966811	992740580	/nfs/dbraw/zinc/74/05/80/992740580.db2.gz	MANMRAZBBVGLCW-NRFANRHFSA-N	1	0	362.433	1.303	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1	ZINC000876623941	992750216	/nfs/dbraw/zinc/75/02/16/992750216.db2.gz	BXBAXHIOGLQUFM-INIZCTEOSA-N	1	0	367.852	1.899	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1	ZINC000876639650	992763874	/nfs/dbraw/zinc/76/38/74/992763874.db2.gz	VUPIWVCNBQNOCD-AWEZNQCLSA-N	1	0	360.845	1.922	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1	ZINC000412011854	992764333	/nfs/dbraw/zinc/76/43/33/992764333.db2.gz	PUCDDGVQYDNZQI-IBGZPJMESA-N	1	0	359.470	1.869	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1	ZINC000876681273	992791543	/nfs/dbraw/zinc/79/15/43/992791543.db2.gz	OCMZKGWYHGWWGX-ZFWWWQNUSA-N	1	0	351.834	1.252	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1	ZINC000876711321	992817339	/nfs/dbraw/zinc/81/73/39/992817339.db2.gz	WKMAQICRQFDRIO-HNNXBMFYSA-N	1	0	365.861	1.572	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1	ZINC000876716640	992825225	/nfs/dbraw/zinc/82/52/25/992825225.db2.gz	IUOSGQCKMCRASU-HNNXBMFYSA-N	1	0	366.849	1.366	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCC(=O)N[C@@H]2CCOc3ccccc32)CC1	ZINC000374415323	992831132	/nfs/dbraw/zinc/83/11/32/992831132.db2.gz	MGRSSALPWLSOTL-QGZVFWFLSA-N	1	0	372.469	1.576	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1	ZINC000876769770	992892922	/nfs/dbraw/zinc/89/29/22/992892922.db2.gz	ZOMHLQZRYPCOIM-LSDHHAIUSA-N	1	0	351.882	1.178	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)cn1	ZINC000412783386	992987410	/nfs/dbraw/zinc/98/74/10/992987410.db2.gz	YEQGRNJFZHVPND-UHFFFAOYSA-N	1	0	350.422	1.710	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)C[C@@H]21	ZINC000375051000	992988734	/nfs/dbraw/zinc/98/87/34/992988734.db2.gz	UIZHDOBSGBLWPG-YOEHRIQHSA-N	1	0	354.454	1.979	20	30		FDEDRO
CC(C)(C)N1C[C@@H](CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1=O	ZINC000876973656	992991366	/nfs/dbraw/zinc/99/13/66/992991366.db2.gz	MNHUKXGFNWZGEO-RDTXWAMCSA-N	1	0	354.454	1.508	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(c2ccc(F)cc2C(N)=O)CC1	ZINC000876984703	992996558	/nfs/dbraw/zinc/99/65/58/992996558.db2.gz	KKCNEUYRFVPZSQ-ZDUSSCGKSA-N	1	0	354.813	1.043	20	30		FDEDRO
CC(C)C[C@H](NCc1cc(C#N)cnc1Cl)C(=O)NCC[NH+](C)C	ZINC000877126443	993061120	/nfs/dbraw/zinc/06/11/20/993061120.db2.gz	KODSFOKLQDLMGQ-HNNXBMFYSA-N	1	0	351.882	1.789	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)CCC[NH2+]1	ZINC000877232897	993124963	/nfs/dbraw/zinc/12/49/63/993124963.db2.gz	GPWJVAYEPHTWGA-IBGZPJMESA-N	1	0	356.426	1.053	20	30		FDEDRO
C=CC[C@@]1(C(=O)Nc2ccc(N3CCN(C(C)=O)CC3)cc2)CCC[NH2+]1	ZINC000877290585	993185146	/nfs/dbraw/zinc/18/51/46/993185146.db2.gz	JRKKOWJVUIYSJD-FQEVSTJZSA-N	1	0	356.470	1.992	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2	ZINC000877329868	993213843	/nfs/dbraw/zinc/21/38/43/993213843.db2.gz	YPLVMQUCPFZZJO-OAHLLOKOSA-N	1	0	359.426	1.221	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2	ZINC000877329867	993213950	/nfs/dbraw/zinc/21/39/50/993213950.db2.gz	YPLVMQUCPFZZJO-HNNXBMFYSA-N	1	0	359.426	1.221	20	30		FDEDRO
CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)n1cnc(C#N)n1)Cc1ccccc1	ZINC000467067852	993262293	/nfs/dbraw/zinc/26/22/93/993262293.db2.gz	HLHYCVLLCYODOE-DOTOQJQBSA-N	1	0	354.458	1.780	20	30		FDEDRO
CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCO[C@H]1c1ccnn1CC)C2	ZINC001095564073	993505941	/nfs/dbraw/zinc/50/59/41/993505941.db2.gz	RWWNFGPWMZLQKO-QLCXLMDBSA-N	1	0	356.470	1.725	20	30		FDEDRO
C#Cc1cccc(NC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)c1	ZINC000878118000	993722409	/nfs/dbraw/zinc/72/24/09/993722409.db2.gz	BJUAGPMNNCTPMV-IBGZPJMESA-N	1	0	356.470	1.586	20	30		FDEDRO
C=CC[C@@H](C(=O)OC)N1CCCN(Cc2nc([C@H](C)OC)no2)CC1	ZINC000878172832	993760470	/nfs/dbraw/zinc/76/04/70/993760470.db2.gz	MDFFTLJXECMDJR-KBPBESRZSA-N	1	0	352.435	1.402	20	30		FDEDRO
CCN1CCOC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1	ZINC001095655391	993893290	/nfs/dbraw/zinc/89/32/90/993893290.db2.gz	CWQUBSSBPAMNRB-FYQPLNBISA-N	1	0	368.481	1.500	20	30		FDEDRO
COC(OC)[C@@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000923675764	993983267	/nfs/dbraw/zinc/98/32/67/993983267.db2.gz	DXCAXXOTELYYBS-OAHLLOKOSA-N	1	0	360.458	1.783	20	30		FDEDRO
C#CCCN1CCN(CC(=O)N(CC(=O)OCC)c2ccccc2)CC1	ZINC000127243926	994085837	/nfs/dbraw/zinc/08/58/37/994085837.db2.gz	UQEAEWAMBCWRFY-UHFFFAOYSA-N	1	0	357.454	1.224	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000470693034	994093065	/nfs/dbraw/zinc/09/30/65/994093065.db2.gz	JIOSHMLFZYXLMH-MRXNPFEDSA-N	1	0	352.442	1.929	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCCON2C(=O)c3ccccc3C2=O)C[C@H](C)N1CC#N	ZINC000878772210	994214014	/nfs/dbraw/zinc/21/40/14/994214014.db2.gz	IDMCAYJTBJGWAK-GASCZTMLSA-N	1	0	356.426	1.522	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1ncc(C)cn1)C2	ZINC000965141483	1015857623	/nfs/dbraw/zinc/85/76/23/1015857623.db2.gz	MJCLNXLFXLBJNP-MIKZSQDASA-N	1	0	356.470	1.893	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1cnc(C)cn1)C2	ZINC000965161411	1015865664	/nfs/dbraw/zinc/86/56/64/1015865664.db2.gz	RBNWXHIYEZLXKT-CPNAEUAOSA-N	1	0	356.470	1.893	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H]1CCS(=O)(=O)C1	ZINC001110892036	994588380	/nfs/dbraw/zinc/58/83/80/994588380.db2.gz	KACIUIUUFCTGJZ-FPCVCCKLSA-N	1	0	354.516	1.745	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC#N)[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1	ZINC000879214027	994642112	/nfs/dbraw/zinc/64/21/12/994642112.db2.gz	WXNPIQAGUXBSHE-QLFBSQMISA-N	1	0	352.479	1.840	20	30		FDEDRO
CO[C@@H]1CC[C@@H](C)[N@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1	ZINC000879322717	994774135	/nfs/dbraw/zinc/77/41/35/994774135.db2.gz	VJBRFGCNTDJJAO-UKRRQHHQSA-N	1	0	361.446	1.003	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](CO)[C@H]2CO)c(OC)c1	ZINC000879361744	994828971	/nfs/dbraw/zinc/82/89/71/994828971.db2.gz	ISELSEPQRGDGHH-RCCFBDPRSA-N	1	0	365.470	1.229	20	30		FDEDRO
C[N@H+](CCc1cccc(C#N)c1)CC(=O)N1CCN(Cc2ccco2)CC1	ZINC000879433529	994910307	/nfs/dbraw/zinc/91/03/07/994910307.db2.gz	VOURPRQYTXBNRD-UHFFFAOYSA-N	1	0	366.465	1.970	20	30		FDEDRO
COC(=O)C[C@@](C)([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C1CC1	ZINC000879440457	994914134	/nfs/dbraw/zinc/91/41/34/994914134.db2.gz	DVKJOQRXBLGNSK-QGZVFWFLSA-N	1	0	350.440	1.653	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@@H](CC)c2cccc(OC)c2OC)CC1	ZINC000879465013	994929848	/nfs/dbraw/zinc/92/98/48/994929848.db2.gz	ZVSMEFLOCPGEBR-KRWDZBQOSA-N	1	0	359.470	1.522	20	30		FDEDRO
COc1cccc([C@H]2CN(C[C@H](O)COc3ccccc3C#N)CC[NH2+]2)c1	ZINC000879523109	994975935	/nfs/dbraw/zinc/97/59/35/994975935.db2.gz	UCEUZMVCIUPVEY-AZUAARDMSA-N	1	0	367.449	1.953	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(CC(=O)[C@@H](C#N)c3nc4ccccc4c(=O)[nH]3)CC[C@H]21	ZINC000879578359	995037520	/nfs/dbraw/zinc/03/75/20/995037520.db2.gz	SMZIESWAPKMWOW-FRFSOERESA-N	1	0	365.437	1.538	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2CCN(c3ccc(F)cc3C#N)CC2)CC1	ZINC000879588437	995053484	/nfs/dbraw/zinc/05/34/84/995053484.db2.gz	OXIKTOSRJPHRFB-UHFFFAOYSA-N	1	0	373.476	1.420	20	30		FDEDRO
Cc1cc(NC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)c(C#N)cc1N(C)C	ZINC000879591304	995058360	/nfs/dbraw/zinc/05/83/60/995058360.db2.gz	LXOWZELYCMYINY-HNNXBMFYSA-N	1	0	359.474	1.899	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(CO)(CO)CC2)c(OC)c1	ZINC000879967853	995481352	/nfs/dbraw/zinc/48/13/52/995481352.db2.gz	FZIMEPMFEVHQDZ-QGZVFWFLSA-N	1	0	365.470	1.230	20	30		FDEDRO
C[C@H]1[C@@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC[N@@H+]1C	ZINC000925318977	995486368	/nfs/dbraw/zinc/48/63/68/995486368.db2.gz	REFJYSGQTFSDSH-JSGCOSHPSA-N	1	0	358.446	1.348	20	30		FDEDRO
C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O	ZINC001110902271	995506964	/nfs/dbraw/zinc/50/69/64/995506964.db2.gz	SAVOJRHXACIYON-ZACQAIPSSA-N	1	0	359.470	1.441	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2[C@H]1CCN2CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1	ZINC000880138444	995674271	/nfs/dbraw/zinc/67/42/71/995674271.db2.gz	WSHPTRNBWFOFSL-USXIJHARSA-N	1	0	365.437	1.680	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@]2(c3ccccc3)C[C@@H](O)C2)CC1	ZINC000880223153	995737725	/nfs/dbraw/zinc/73/77/25/995737725.db2.gz	VEVXBLZNQVGTME-SBHAEUEKSA-N	1	0	370.497	1.319	20	30		FDEDRO
C[NH+](C)CC[C@H](NC(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1cccnc1	ZINC000925903840	995812527	/nfs/dbraw/zinc/81/25/27/995812527.db2.gz	LJWSHLZNWHINLJ-MSOLQXFVSA-N	1	0	356.474	1.456	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1)C2	ZINC000926190615	995970156	/nfs/dbraw/zinc/97/01/56/995970156.db2.gz	SIDFJGSHDNTKKB-DUGAHKIJSA-N	1	0	371.481	1.921	20	30		FDEDRO
N#CCCc1ccc(NC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1	ZINC000926193034	995972536	/nfs/dbraw/zinc/97/25/36/995972536.db2.gz	LAQOSJZUIFJPRT-QGZVFWFLSA-N	1	0	369.469	1.818	20	30		FDEDRO
N#CCCc1ccc(NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1	ZINC000926198433	995975202	/nfs/dbraw/zinc/97/52/02/995975202.db2.gz	LAIKOUVODHNFLR-ZACQAIPSSA-N	1	0	369.425	1.542	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O	ZINC000926233794	995981780	/nfs/dbraw/zinc/98/17/80/995981780.db2.gz	AZWRMBVIQNEEFT-JAYZULETSA-N	1	0	365.518	1.443	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O	ZINC000926235005	995983254	/nfs/dbraw/zinc/98/32/54/995983254.db2.gz	PHJAHAHBBQXCHU-HEYXFABWSA-N	1	0	350.503	1.954	20	30		FDEDRO
CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3ncc(C#N)cc3C)C2)[C@@H]1C(C)C	ZINC000926244172	995993283	/nfs/dbraw/zinc/99/32/83/995993283.db2.gz	WPPYYTCWJSIDPG-ZTRFORPCSA-N	1	0	356.470	1.861	20	30		FDEDRO
CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)Cc3ccc(C#N)nc3)C2)[C@@H]1C(C)C	ZINC000926272318	996014959	/nfs/dbraw/zinc/01/49/59/996014959.db2.gz	WASXCIUMMXVNKI-IZBJGVDFSA-N	1	0	356.470	1.482	20	30		FDEDRO
CCO[C@@H](CNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)C[NH+](C)C	ZINC000926820283	996321625	/nfs/dbraw/zinc/32/16/25/996321625.db2.gz	DGWDLRXPEOWWEW-IBGZPJMESA-N	1	0	373.501	1.352	20	30		FDEDRO
CCO[C@H](CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)C[NH+](C)C	ZINC000926843570	996335915	/nfs/dbraw/zinc/33/59/15/996335915.db2.gz	FEYPMVBYCRTVCV-JKSUJKDBSA-N	1	0	361.446	1.083	20	30		FDEDRO
CCO[C@H](CNC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1)C[NH+](C)C	ZINC000926849190	996338741	/nfs/dbraw/zinc/33/87/41/996338741.db2.gz	IJZFVXHAYCXNFE-DLBZAZTESA-N	1	0	374.489	1.506	20	30		FDEDRO
CCO[C@@H](CNC(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1)C[NH+](C)C	ZINC000926855112	996343498	/nfs/dbraw/zinc/34/34/98/996343498.db2.gz	RCGWFWMQSOORBL-SFHVURJKSA-N	1	0	370.457	1.891	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C2CC3(CC(NC(=O)[C@@H]4C[C@H]4C4CC4)C3)C2)C1=O	ZINC000965398803	1016038959	/nfs/dbraw/zinc/03/89/59/1016038959.db2.gz	RVTIKWHUYTYINK-MKNFOJTKSA-N	1	0	357.498	1.836	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c(Cl)c1	ZINC000887034313	996847053	/nfs/dbraw/zinc/84/70/53/996847053.db2.gz	QMAHHNTZOINLAP-JTQLQIEISA-N	1	0	356.760	1.511	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1	ZINC000887038295	996856777	/nfs/dbraw/zinc/85/67/77/996856777.db2.gz	PCRYRQSJEBZMQX-HXUWFJFHSA-N	1	0	373.428	1.768	20	30		FDEDRO
C#CCC1([NH2+]Cc2c(C)nn(CCS(C)(=O)=O)c2C)CCOCC1	ZINC000887122400	996953669	/nfs/dbraw/zinc/95/36/69/996953669.db2.gz	WWCSQYYLXLAVFG-UHFFFAOYSA-N	1	0	353.488	1.207	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N(CC)Cc2ccc3c(c2)OCCO3)CCOCC1	ZINC000887125711	996955340	/nfs/dbraw/zinc/95/53/40/996955340.db2.gz	GPJROWDBDWRKFT-UHFFFAOYSA-N	1	0	372.465	1.968	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(Cc3cccc(C)c3)CCO2)CC1	ZINC000826565383	997149497	/nfs/dbraw/zinc/14/94/97/997149497.db2.gz	VLGYFCKWWZWGSB-OAQYLSRUSA-N	1	0	369.509	1.657	20	30		FDEDRO
C=CCn1c(C)cc(C(=O)Cn2cc(CN3CCC[C@@H]([NH3+])C3)nn2)c1C	ZINC000887432285	997262092	/nfs/dbraw/zinc/26/20/92/997262092.db2.gz	JBNBYJWADRFAOZ-MRXNPFEDSA-N	1	0	356.474	1.688	20	30		FDEDRO
C=C1CC(C)(C(=O)N2CCOC3(CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C3)C2)C1	ZINC000965481183	1016109755	/nfs/dbraw/zinc/10/97/55/1016109755.db2.gz	BOSYQIVITDZYHE-HZPDHXFCSA-N	1	0	361.486	1.123	20	30		FDEDRO
C#CCN(CC)C(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1	ZINC000264072673	997394982	/nfs/dbraw/zinc/39/49/82/997394982.db2.gz	XDMMXEZGPXGSQQ-UHFFFAOYSA-N	1	0	374.460	1.776	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NC[C@@H](O)COc2ccc(F)cc2)cc1	ZINC000264095922	997400994	/nfs/dbraw/zinc/40/09/94/997400994.db2.gz	MOVDBOULUMZWIP-MRXNPFEDSA-N	1	0	361.417	1.721	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2cnn(-c3ccccc3)c2)CC1	ZINC000264130144	997407182	/nfs/dbraw/zinc/40/71/82/997407182.db2.gz	TUHKAYOBZMRHAQ-UHFFFAOYSA-N	1	0	370.457	1.898	20	30		FDEDRO
O=C(C[NH2+]C1(CO)CCOCC1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000264741285	997590252	/nfs/dbraw/zinc/59/02/52/997590252.db2.gz	UGEKKTOGQYEDGB-UHFFFAOYSA-N	1	0	370.371	1.304	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(c2cc(-n3cnc(C#N)c3N)cc[nH+]2)CC1	ZINC001212835100	997636164	/nfs/dbraw/zinc/63/61/64/997636164.db2.gz	PCKSHSZPWYGIJS-UHFFFAOYSA-N	1	0	369.429	1.778	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)NC1CCN(CC[NH+](C)C)CC1	ZINC000265118008	997703564	/nfs/dbraw/zinc/70/35/64/997703564.db2.gz	CNYSZKJRLCYNJX-UHFFFAOYSA-N	1	0	358.486	1.524	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@H](NC(=O)OC)C1)C(C)C	ZINC000887734044	997711522	/nfs/dbraw/zinc/71/15/22/997711522.db2.gz	LHPBNACDXQJMBQ-HOTGVXAUSA-N	1	0	352.479	1.825	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)CCNC(=O)C1N=CC=CC1=O)c1ccccc1	ZINC000265386831	997779705	/nfs/dbraw/zinc/77/97/05/997779705.db2.gz	AYPHIMFOYVODPJ-RAJOGRCSSA-N	1	0	356.426	1.322	20	30		FDEDRO
Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(C#N)c(F)c2)nn1	ZINC001095380709	997990524	/nfs/dbraw/zinc/99/05/24/997990524.db2.gz	UPVJIIIVQTUDDQ-KMFMINBZSA-N	1	0	354.389	1.361	20	30		FDEDRO
Cc1nnc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)o1	ZINC001095383572	998030567	/nfs/dbraw/zinc/03/05/67/998030567.db2.gz	KNIVMMVCEGROFB-IKGGRYGDSA-N	1	0	351.410	1.714	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)Nc2ccc(C#N)cn2)CC1	ZINC000889225596	998231499	/nfs/dbraw/zinc/23/14/99/998231499.db2.gz	XZFRCOMEBOSENT-IYBDPMFKSA-N	1	0	356.474	1.976	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(CC#N)n1)c1cccc(F)c1	ZINC000889766221	998622348	/nfs/dbraw/zinc/62/23/48/998622348.db2.gz	QNMBMLGTOKQMDI-INIZCTEOSA-N	1	0	369.400	1.644	20	30		FDEDRO
C#CCN(CC(=O)N[C@@H]1CCC[N@@H+](CCOC)C1)C(=O)OC(C)(C)C	ZINC000826662663	998731351	/nfs/dbraw/zinc/73/13/51/998731351.db2.gz	MBRCQZWWIZVWNO-OAHLLOKOSA-N	1	0	353.463	1.084	20	30		FDEDRO
C#C[C@@H]1COCCN1C(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000889991649	998761641	/nfs/dbraw/zinc/76/16/41/998761641.db2.gz	ASKWJJJNWLPFAG-LJQANCHMSA-N	1	0	371.481	1.447	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNc3ncc(C#N)cc3F)C2)CC[N@@H+]1C	ZINC001066686689	999017300	/nfs/dbraw/zinc/01/73/00/999017300.db2.gz	XWUXBMKAQZQQGK-BPLDGKMQSA-N	1	0	361.421	1.072	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNc3nc(C)ccc3C#N)C2)CC[N@@H+]1C	ZINC001066687652	999020403	/nfs/dbraw/zinc/02/04/03/999020403.db2.gz	ODZCDYIMDBFIDQ-OKZBNKHCSA-N	1	0	371.485	1.631	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)nc1[C@H]1CCOC1)C2	ZINC001110859580	999059260	/nfs/dbraw/zinc/05/92/60/999059260.db2.gz	FCWAKIMVRRTLNV-IDCNUPLLSA-N	1	0	374.485	1.462	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=O)CCC[NH2+]Cc2ccc(C#N)o2)CC1	ZINC000266166707	999124340	/nfs/dbraw/zinc/12/43/40/999124340.db2.gz	AYSBLNCVWBDQBD-UHFFFAOYSA-N	1	0	362.430	1.758	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)cc1C#N	ZINC000266227320	999132982	/nfs/dbraw/zinc/13/29/82/999132982.db2.gz	SVCIQTMIVOOBAS-OAHLLOKOSA-N	1	0	356.378	1.825	20	30		FDEDRO
CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000266654212	999210063	/nfs/dbraw/zinc/21/00/63/999210063.db2.gz	YZULKGQFHRSLOQ-IBGZPJMESA-N	1	0	371.485	1.395	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2cccc(-n3cncn3)c2)CC1	ZINC000267465690	999343870	/nfs/dbraw/zinc/34/38/70/999343870.db2.gz	WFWIUFNKLHTBRJ-UHFFFAOYSA-N	1	0	371.445	1.293	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(-c3nccn3C)c2)CC1	ZINC000267525582	999354958	/nfs/dbraw/zinc/35/49/58/999354958.db2.gz	KGYDARBTUGIKLR-UHFFFAOYSA-N	1	0	367.453	1.792	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNC(=O)NCc2ccc(OCC#N)cc2)CC1	ZINC000268438692	999438763	/nfs/dbraw/zinc/43/87/63/999438763.db2.gz	BCOIYAXNFAOKRF-UHFFFAOYSA-N	1	0	360.458	1.623	20	30		FDEDRO
C=C(C)[C@H](CC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)OCC	ZINC000270023834	999501438	/nfs/dbraw/zinc/50/14/38/999501438.db2.gz	FZGYODAWTMQIOQ-SFHVURJKSA-N	1	0	361.486	1.966	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(O)(COC)CC2)c(OC)c1	ZINC000270347791	999543815	/nfs/dbraw/zinc/54/38/15/999543815.db2.gz	GQHNPOJZHCOZPQ-QGZVFWFLSA-N	1	0	365.470	1.637	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1	ZINC000270885600	999629127	/nfs/dbraw/zinc/62/91/27/999629127.db2.gz	BNNYTVWJHYDLJD-PKOBYXMFSA-N	1	0	356.470	1.191	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](N3CCCC3=O)C2)c(OC)c1	ZINC000270895600	999630903	/nfs/dbraw/zinc/63/09/03/999630903.db2.gz	LVFRTVQNDSXGOE-ZWKOTPCHSA-N	1	0	374.481	1.860	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)nn1CCC#N	ZINC000271030820	999651010	/nfs/dbraw/zinc/65/10/10/999651010.db2.gz	IFRHFHAKLAMYBC-AWEZNQCLSA-N	1	0	362.478	1.526	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCCC[N@H+]2CCCC[C@H]2C)nn1CCC#N	ZINC000271039025	999651682	/nfs/dbraw/zinc/65/16/82/999651682.db2.gz	REMQBZNXTSAKRM-CQSZACIVSA-N	1	0	360.462	1.424	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)nn1CCC#N	ZINC000271059923	999654657	/nfs/dbraw/zinc/65/46/57/999654657.db2.gz	KPHSTEAAJHGVIA-CQSZACIVSA-N	1	0	360.462	1.282	20	30		FDEDRO
C#CCN(CC)C(=O)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1	ZINC000274365417	999738420	/nfs/dbraw/zinc/73/84/20/999738420.db2.gz	QJUJJICKFPARNB-UHFFFAOYSA-N	1	0	358.442	1.305	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)CC1	ZINC000283286629	999748078	/nfs/dbraw/zinc/74/80/78/999748078.db2.gz	ACRRZODYBOUIEK-UHFFFAOYSA-N	1	0	358.486	1.526	20	30		FDEDRO
N#Cc1ccc(CN2CCCN(C(=O)C(=O)NC3CCCC3)CC2)cc1	ZINC000283420381	999752224	/nfs/dbraw/zinc/75/22/24/999752224.db2.gz	YEANDBJXVGRSNA-UHFFFAOYSA-N	1	0	354.454	1.651	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2cccc(OC)c2OC)CC1	ZINC000284056401	999775689	/nfs/dbraw/zinc/77/56/89/999775689.db2.gz	NRMRQAMUOUZUFJ-UHFFFAOYSA-N	1	0	361.442	1.087	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)NCc1ccc(C)nc1)C(C)C	ZINC000284073028	999775994	/nfs/dbraw/zinc/77/59/94/999775994.db2.gz	MUSJKXIERBASCV-SFHVURJKSA-N	1	0	358.486	1.821	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)NCCCn1cccn1)C(C)C	ZINC000284211697	999780374	/nfs/dbraw/zinc/78/03/74/999780374.db2.gz	XTMYWEOHOOERLO-KRWDZBQOSA-N	1	0	361.490	1.204	20	30		FDEDRO
C=CCCCCNC(=O)C(=O)NCc1cccc(CN2CCOCC2)c1	ZINC000284344592	999812023	/nfs/dbraw/zinc/81/20/23/999812023.db2.gz	XNJAVRPMEKNDCH-UHFFFAOYSA-N	1	0	359.470	1.608	20	30		FDEDRO
C=CCCCNC(=O)C(=O)NCc1ccccc1CN1CC[NH+](CC)CC1	ZINC000285026746	999895880	/nfs/dbraw/zinc/89/58/80/999895880.db2.gz	RHPUQNAQVLEBPR-UHFFFAOYSA-N	1	0	372.513	1.523	20	30		FDEDRO
CO/N=C(/C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)c1ccco1	ZINC000286355513	999944001	/nfs/dbraw/zinc/94/40/01/999944001.db2.gz	YBGAXZHVCIMDEW-VAVIUPKFSA-N	1	0	373.457	1.905	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)CCCOCc2ccccc2)CC1	ZINC000286689697	999946136	/nfs/dbraw/zinc/94/61/36/999946136.db2.gz	PJMOQJLGVORZLA-UHFFFAOYSA-N	1	0	373.497	1.818	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(CCOC)Cc2ccc(C)o2)CC1	ZINC000286717089	999946936	/nfs/dbraw/zinc/94/69/36/999946936.db2.gz	QUENORPGIGRINC-UHFFFAOYSA-N	1	0	363.458	1.330	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2c2nccn2CC)CC1	ZINC000286859969	999952923	/nfs/dbraw/zinc/95/29/23/999952923.db2.gz	ZMELEMWHPLADON-QGZVFWFLSA-N	1	0	373.501	1.723	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1	ZINC000287388879	999957270	/nfs/dbraw/zinc/95/72/70/999957270.db2.gz	OZIQLIBOZKXBIW-DLBZAZTESA-N	1	0	359.470	1.857	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21	ZINC000287443459	999958030	/nfs/dbraw/zinc/95/80/30/999958030.db2.gz	SBPXIRBHCXGRCJ-ROUUACIJSA-N	1	0	371.481	1.810	20	30		FDEDRO
COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CCn2cnc(C#N)n2)c1	ZINC000287764622	999959862	/nfs/dbraw/zinc/95/98/62/999959862.db2.gz	ZZOTXIVMANZLIR-LBPRGKRZSA-N	1	0	358.402	1.174	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NCCn1cnc(C#N)n1	ZINC000287889495	999969852	/nfs/dbraw/zinc/96/98/52/999969852.db2.gz	OQYMOPCJGUIIPG-UHFFFAOYSA-N	1	0	359.409	1.062	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C	ZINC000288121048	999988264	/nfs/dbraw/zinc/98/82/64/999988264.db2.gz	KBNWIRNZNHZJAA-RHSMWYFYSA-N	1	0	370.453	1.981	20	30		FDEDRO
Cc1cc(C#N)nc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1	ZINC000288131981	999989350	/nfs/dbraw/zinc/98/93/50/999989350.db2.gz	YMJAJQJSMCPLKA-UHFFFAOYSA-N	1	0	350.470	1.911	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C	ZINC000288136388	999989980	/nfs/dbraw/zinc/98/99/80/999989980.db2.gz	OIINSPRSCSQSRG-HOCLYGCPSA-N	1	0	373.428	1.861	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)nn1CCC#N	ZINC000288225285	999998563	/nfs/dbraw/zinc/99/85/63/999998563.db2.gz	UUNFMQQTUYVRHE-ZFWWWQNUSA-N	1	0	358.446	1.129	20	30		FDEDRO
C=CCOc1ccc(C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)cc1OC	ZINC000289176466	1000079728	/nfs/dbraw/zinc/07/97/28/1000079728.db2.gz	ACEPUQYYGVXUPW-UHFFFAOYSA-N	1	0	359.426	1.776	20	30		FDEDRO
CN1CC[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)[C@@H]1c1ccccc1	ZINC000289478400	1000101641	/nfs/dbraw/zinc/10/16/41/1000101641.db2.gz	XSLHVGPBFJRIEG-MJGOQNOKSA-N	1	0	370.478	1.762	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@@H](C)[NH+](CC)CC	ZINC000290427847	1000137197	/nfs/dbraw/zinc/13/71/97/1000137197.db2.gz	QKCYWBFMPJTLCU-MRXNPFEDSA-N	1	0	356.470	1.919	20	30		FDEDRO
COc1ccccc1CNC(=[NH2+])NCc1cc(C)nc(N2CCCC2)n1	ZINC000291992468	1000203277	/nfs/dbraw/zinc/20/32/77/1000203277.db2.gz	WNDYBJVZFSFPMD-UHFFFAOYSA-N	1	0	354.458	1.998	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CCC[C@@H]([C@@H](C)[NH3+])C3)cc21	ZINC000927793155	1001051515	/nfs/dbraw/zinc/05/15/15/1001051515.db2.gz	QVIASBXKQXYKND-UKRRQHHQSA-N	1	0	355.442	1.747	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N[C@H](C)[C@H]3CCC[NH2+]C3)cc21	ZINC000927793984	1001052038	/nfs/dbraw/zinc/05/20/38/1001052038.db2.gz	KHPXJGLPTAJZDF-KGLIPLIRSA-N	1	0	355.442	1.665	20	30		FDEDRO
N#CCCc1ccc(NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1	ZINC000927843923	1001103030	/nfs/dbraw/zinc/10/30/30/1001103030.db2.gz	QKHNDNHNUJKULK-CHWSQXEVSA-N	1	0	354.332	1.429	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2	ZINC000927926955	1001221441	/nfs/dbraw/zinc/22/14/41/1001221441.db2.gz	JTLFYFNTHPSRKQ-KUHUBIRLSA-N	1	0	356.426	1.661	20	30		FDEDRO
Cc1c(C(=O)N2CCC[C@@H](C#N)C2)nnn1-c1cccc2c1CC[N@@H+](C)C2	ZINC000928220541	1001448841	/nfs/dbraw/zinc/44/88/41/1001448841.db2.gz	IREKHXXZMPVRPR-HNNXBMFYSA-N	1	0	364.453	1.939	20	30		FDEDRO
C[N@@H+]1CC[C@@H]1CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N	ZINC000928570646	1001578892	/nfs/dbraw/zinc/57/88/92/1001578892.db2.gz	FPQBZGIVCJGBMP-YYHKSVKZSA-N	1	0	362.474	1.594	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C2(CC(=O)OC(C)(C)C)CCOCC2)CC1	ZINC000928649306	1001606991	/nfs/dbraw/zinc/60/69/91/1001606991.db2.gz	YRRODSZVYVFJDY-UHFFFAOYSA-N	1	0	364.486	1.729	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccc3[nH]c4c(c3c2)CN(C)CC4)CC1	ZINC000928650900	1001608768	/nfs/dbraw/zinc/60/87/68/1001608768.db2.gz	HSTCKFRSFMSFQZ-UHFFFAOYSA-N	1	0	350.466	1.983	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CCN(C)C(=O)OCc2ccccc2)CC1	ZINC000928653757	1001610445	/nfs/dbraw/zinc/61/04/45/1001610445.db2.gz	ZKRNYHMAWFZOHH-UHFFFAOYSA-N	1	0	357.454	1.859	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C[C@](O)(c2ccc(C)o2)C(F)(F)F)CC1	ZINC000928655296	1001611324	/nfs/dbraw/zinc/61/13/24/1001611324.db2.gz	SZDBKURKKSXXDY-INIZCTEOSA-N	1	0	358.360	1.942	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1	ZINC000928657377	1001613003	/nfs/dbraw/zinc/61/30/03/1001613003.db2.gz	YXLKXPOXSKGMPA-UHFFFAOYSA-N	1	0	374.384	1.808	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)CC1	ZINC000928658605	1001613944	/nfs/dbraw/zinc/61/39/44/1001613944.db2.gz	OKMXWJXITZPBQU-UHFFFAOYSA-N	1	0	366.465	1.617	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CS[C@H](C)C(=O)Nc2cc(C)on2)CC1	ZINC000928658530	1001614090	/nfs/dbraw/zinc/61/40/90/1001614090.db2.gz	KTENQFRUQRMOPE-CYBMUJFWSA-N	1	0	364.471	1.257	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1	ZINC000928659945	1001615359	/nfs/dbraw/zinc/61/53/59/1001615359.db2.gz	FGEYQBUPSUWILV-UHFFFAOYSA-N	1	0	359.382	1.584	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1	ZINC000928720607	1001636402	/nfs/dbraw/zinc/63/64/02/1001636402.db2.gz	WMCWLDIHSXSAQS-DOTOQJQBSA-N	1	0	357.458	1.324	20	30		FDEDRO
C[NH+](C)CCn1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)n1	ZINC000928722223	1001637307	/nfs/dbraw/zinc/63/73/07/1001637307.db2.gz	RNWBFDVEEHAOFO-MRXNPFEDSA-N	1	0	367.457	1.428	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCCN(c3nccnc3C#N)C2)CC[N@@H+]1C	ZINC001110963466	1001794710	/nfs/dbraw/zinc/79/47/10/1001794710.db2.gz	DEENHZHRWQIYKN-SPYBWZPUSA-N	1	0	356.474	1.411	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@]2(C)CCCN(c3nccnc3C#N)C2)CC[N@@H+]1C	ZINC001110963946	1001800013	/nfs/dbraw/zinc/80/00/13/1001800013.db2.gz	QXDDFHCHHAVVTK-XAUMDUMWSA-N	1	0	370.501	1.801	20	30		FDEDRO
N#Cc1ccc(F)c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(C(N)=O)CC2)C3)c1	ZINC001110965749	1001932294	/nfs/dbraw/zinc/93/22/94/1001932294.db2.gz	GURZRRUVKHSKAT-BMFZPTHFSA-N	1	0	356.401	1.184	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@H]1CCN(c2cnn(C)c2)C1=O	ZINC001110966874	1001962408	/nfs/dbraw/zinc/96/24/08/1001962408.db2.gz	JIZXRDXJNHUQJG-BGTYHANMSA-N	1	0	371.485	1.603	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(=O)NCCCC	ZINC001110967083	1001965910	/nfs/dbraw/zinc/96/59/10/1001965910.db2.gz	RIZCMHPWSMYKEM-OAGGEKHMSA-N	1	0	364.490	1.690	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Nc1cccc(OCC(=O)N2CCCC2)c1	ZINC000929539958	1002182725	/nfs/dbraw/zinc/18/27/25/1002182725.db2.gz	JRGYGYSUJSXUEQ-UHFFFAOYSA-N	1	0	358.442	1.374	20	30		FDEDRO
C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2cncc(C#N)c2)CC1	ZINC000929683711	1002340870	/nfs/dbraw/zinc/34/08/70/1002340870.db2.gz	WDNNWLXYAXVNMD-UHFFFAOYSA-N	1	0	357.502	1.869	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(NC(=O)c2ccn3c[nH+]cc3c2)CC1	ZINC000948469921	1002377497	/nfs/dbraw/zinc/37/74/97/1002377497.db2.gz	ZCGMDPFMLFQKDR-MSOLQXFVSA-N	1	0	368.437	1.646	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H](CC)Cc1ccccc1)C1CC[NH+](C)CC1	ZINC000929918094	1002594902	/nfs/dbraw/zinc/59/49/02/1002594902.db2.gz	ITVYJXFULLUERM-GOSISDBHSA-N	1	0	355.482	1.680	20	30		FDEDRO
C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC000948774603	1002662000	/nfs/dbraw/zinc/66/20/00/1002662000.db2.gz	AXQZVTOCMCOTQF-YESZJQIVSA-N	1	0	351.491	1.511	20	30		FDEDRO
C=C(C)CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC000948775748	1002663658	/nfs/dbraw/zinc/66/36/58/1002663658.db2.gz	PWXYGTDIEBQLMZ-OKZBNKHCSA-N	1	0	365.518	1.901	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]([C@@H]3CCOC3)C2)CC1	ZINC000930006976	1002729399	/nfs/dbraw/zinc/72/93/99/1002729399.db2.gz	KEJZXOFGEBBPMN-DLBZAZTESA-N	1	0	363.502	1.418	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)c3cc(C#N)c[nH]3)CC2)CC[N@@H+]1C	ZINC000949010829	1002929209	/nfs/dbraw/zinc/92/92/09/1002929209.db2.gz	MZNXKJUQAXZUFV-CZUORRHYSA-N	1	0	357.458	1.195	20	30		FDEDRO
C#CC[C@H]([NH2+]CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)c1ccccc1	ZINC000930217232	1002937432	/nfs/dbraw/zinc/93/74/32/1002937432.db2.gz	LDCJIYUHWMBIBA-HNNXBMFYSA-N	1	0	369.387	1.820	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1	ZINC000949062075	1002964214	/nfs/dbraw/zinc/96/42/14/1002964214.db2.gz	YDZRIQBTSDIHPX-FGTMMUONSA-N	1	0	363.502	1.273	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)Nc1cc(C(=O)N(C)C)ccc1OCC	ZINC000930270310	1002985599	/nfs/dbraw/zinc/98/55/99/1002985599.db2.gz	NSOGUBUSKKHDAT-UHFFFAOYSA-N	1	0	360.458	1.864	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](OC)C(C)C)C2	ZINC001110986475	1003016438	/nfs/dbraw/zinc/01/64/38/1003016438.db2.gz	VOYWQTNFFBDFTR-VXIBKDFQSA-N	1	0	363.502	1.580	20	30		FDEDRO
C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1ccnn1C)CCO2	ZINC000949147280	1003037875	/nfs/dbraw/zinc/03/78/75/1003037875.db2.gz	HCZKPGOBMRTDQI-IAGOWNOFSA-N	1	0	358.486	1.793	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1cncn1C)CCO2	ZINC000949194083	1003080550	/nfs/dbraw/zinc/08/05/50/1003080550.db2.gz	HURCHPQXWYNPLP-IAGOWNOFSA-N	1	0	358.486	1.793	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(CC[NH+]([C@H](C)COC)CC2)C1	ZINC000949194402	1003081975	/nfs/dbraw/zinc/08/19/75/1003081975.db2.gz	UMMZUAURSSKBTC-ZACQAIPSSA-N	1	0	352.475	1.306	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC1)C[N@H+](C[C@H](C)O)CCO2	ZINC000949370128	1003267032	/nfs/dbraw/zinc/26/70/32/1003267032.db2.gz	KYYBLHNTPNOCBN-BBWFWOEESA-N	1	0	352.475	1.042	20	30		FDEDRO
C=C(C)C[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2)C1	ZINC000949427306	1003335395	/nfs/dbraw/zinc/33/53/95/1003335395.db2.gz	JVAJJUOXOVVQEK-OKZBNKHCSA-N	1	0	364.486	1.307	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CNC(=O)C2CC[NH+](C)CC2)CC1	ZINC000949504599	1003415902	/nfs/dbraw/zinc/41/59/02/1003415902.db2.gz	VKIVZNXXVBLAPK-MSOLQXFVSA-N	1	0	363.502	1.274	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)N[C@@H](C)CCC)c1	ZINC001111001675	1003783293	/nfs/dbraw/zinc/78/32/93/1003783293.db2.gz	JFRQIHDYFSOZDV-PIKADFDJSA-N	1	0	368.481	1.703	20	30		FDEDRO
CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1CC1CCC(C#N)CC1	ZINC000931088886	1003868274	/nfs/dbraw/zinc/86/82/74/1003868274.db2.gz	ORFOWXWDKSSIIP-RJYAGPCLSA-N	1	0	367.490	1.904	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1	ZINC000931190027	1003947465	/nfs/dbraw/zinc/94/74/65/1003947465.db2.gz	DXZGSXQLRKDTLI-MRXNPFEDSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCNC(=O)CC2(C)C)c(OC)c1	ZINC000931207798	1003961719	/nfs/dbraw/zinc/96/17/19/1003961719.db2.gz	SJRBGDYNYWDEMO-MRXNPFEDSA-N	1	0	362.470	1.764	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)CN1CCC([N@@H+]2CCCOCC2)CC1	ZINC000931285525	1004025717	/nfs/dbraw/zinc/02/57/17/1004025717.db2.gz	PKKVNTJHWLNCOU-IBGZPJMESA-N	1	0	359.470	1.485	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@]3(CC(C(=O)OC)=NO3)C2)cc1	ZINC000931531973	1004244441	/nfs/dbraw/zinc/24/44/41/1004244441.db2.gz	KFHXHPMGDZNYOO-IBGZPJMESA-N	1	0	355.394	1.390	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Nc1cccc(N2C(=O)CNC2=O)c1C	ZINC000931712278	1004435773	/nfs/dbraw/zinc/43/57/73/1004435773.db2.gz	CJGXJVNVFZVNGB-UHFFFAOYSA-N	1	0	357.414	1.128	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)Nc1c(C#N)cn(CC)c1C(=O)OCC	ZINC000931782146	1004490554	/nfs/dbraw/zinc/49/05/54/1004490554.db2.gz	HLIPUWQANIMYPK-UHFFFAOYSA-N	1	0	359.430	1.633	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3occc3s1)C2	ZINC001111018112	1004526899	/nfs/dbraw/zinc/52/68/99/1004526899.db2.gz	JUSJVIQHMCRWFZ-DGAVXFQQSA-N	1	0	371.462	1.967	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C2	ZINC001111023636	1004745219	/nfs/dbraw/zinc/74/52/19/1004745219.db2.gz	TXXLXOJYBSABEQ-PDOICOKGSA-N	1	0	365.493	1.570	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cc(=O)n(C)cc2Br)CC1	ZINC000932140394	1004790478	/nfs/dbraw/zinc/79/04/78/1004790478.db2.gz	ADGCPLGRPBGCQG-UHFFFAOYSA-N	1	0	354.248	1.528	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1	ZINC000932216637	1004834671	/nfs/dbraw/zinc/83/46/71/1004834671.db2.gz	ZHBOBJQCOPIUCG-GOSISDBHSA-N	1	0	353.466	1.800	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1nc2c(s1)CCCC2)C1CC[NH+](C)CC1	ZINC000932282763	1004873801	/nfs/dbraw/zinc/87/38/01/1004873801.db2.gz	ITSKXBFSCQWWJN-UHFFFAOYSA-N	1	0	374.510	1.194	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1C#N	ZINC000932478298	1004980641	/nfs/dbraw/zinc/98/06/41/1004980641.db2.gz	HFQWUKXWIIOUPS-FUHWJXTLSA-N	1	0	354.454	1.426	20	30		FDEDRO
COc1ncc(NC(=O)N2CCC([NH+]3CCN(C)CC3)CC2)cc1C#N	ZINC000932518917	1004998510	/nfs/dbraw/zinc/99/85/10/1004998510.db2.gz	DQCXICYARHFAIE-UHFFFAOYSA-N	1	0	358.446	1.206	20	30		FDEDRO
C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1C[N@@H+](C)CCN1C	ZINC000932525774	1005000262	/nfs/dbraw/zinc/00/02/62/1005000262.db2.gz	HGYNBDAOLUHCAX-HOTGVXAUSA-N	1	0	368.522	1.598	20	30		FDEDRO
N#CC[C@H](NC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C(F)(F)F	ZINC000932893612	1005233620	/nfs/dbraw/zinc/23/36/20/1005233620.db2.gz	NLGRWNVLDIPRNP-GJZGRUSLSA-N	1	0	370.375	1.897	20	30		FDEDRO
N#CC[C@@H](NC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(F)(F)F	ZINC000932915859	1005243035	/nfs/dbraw/zinc/24/30/35/1005243035.db2.gz	PEGUVNCWNVEIQC-ZBFHGGJFSA-N	1	0	370.375	1.767	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1	ZINC000932960258	1005283058	/nfs/dbraw/zinc/28/30/58/1005283058.db2.gz	COYMSCXODJEGHP-KBAYOESNSA-N	1	0	363.502	1.607	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)c(F)c1F)C2	ZINC001111050393	1005503068	/nfs/dbraw/zinc/50/30/68/1005503068.db2.gz	MLLFRCZOKOZSJZ-YUELXQCFSA-N	1	0	361.392	1.358	20	30		FDEDRO
CC(C)(C)OC(=O)NC[C@](C)(O)C[NH+]1CCC2(CC1)CC(=O)C=CO2	ZINC000933645983	1005597896	/nfs/dbraw/zinc/59/78/96/1005597896.db2.gz	ADYQZWHFPYUPRB-KRWDZBQOSA-N	1	0	354.447	1.600	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CN(CC(=O)[C@H](C#N)c3nc4ccccc4c(=O)[nH]3)C[C@]2(C)C1	ZINC000933736344	1005624531	/nfs/dbraw/zinc/62/45/31/1005624531.db2.gz	UPRDOGNYBUEGEZ-AFBRZQFHSA-N	1	0	365.437	1.395	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([N@@H+]3C[C@@H]4CCC[C@]4(C(N)=O)C3)C2=O)cc1	ZINC000933751272	1005629743	/nfs/dbraw/zinc/62/97/43/1005629743.db2.gz	FNEMHFXXVUEMJX-VPWXQRGCSA-N	1	0	352.438	1.641	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[NH2+]C1(C(=O)N2CCOCC2)CCCCC1	ZINC000934058327	1005683190	/nfs/dbraw/zinc/68/31/90/1005683190.db2.gz	XUSBFLHEDISYDX-MRXNPFEDSA-N	1	0	364.490	1.146	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H](N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)C1=O	ZINC000934262030	1005724991	/nfs/dbraw/zinc/72/49/91/1005724991.db2.gz	ILWKQGQTPLXETB-JYJNAYRXSA-N	1	0	360.483	1.256	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1	ZINC000934436472	1005746453	/nfs/dbraw/zinc/74/64/53/1005746453.db2.gz	ZIJASAXVGFLQFO-VAMGGRTRSA-N	1	0	352.434	1.833	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CS(=O)(=O)N(CC)CC)C2	ZINC001111084325	1005819950	/nfs/dbraw/zinc/81/99/50/1005819950.db2.gz	FYEUXWIHGQAGAV-VQHPVUNQSA-N	1	0	371.547	1.734	20	30		FDEDRO
Cc1ccc(C#N)cc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C	ZINC000935954126	1006172986	/nfs/dbraw/zinc/17/29/86/1006172986.db2.gz	QDJNXFBHHCIMAX-ALOPSCKCSA-N	1	0	354.454	1.680	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCO)cc1	ZINC001111112664	1006233568	/nfs/dbraw/zinc/23/35/68/1006233568.db2.gz	YFEMZDRCJVAGES-QRQLOZEOSA-N	1	0	358.438	1.043	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)COC3CC[NH+](C)CC3)CC2)c1C#N	ZINC000936042109	1006254217	/nfs/dbraw/zinc/25/42/17/1006254217.db2.gz	DCBNRWJBRNZCOW-UHFFFAOYSA-N	1	0	363.487	1.083	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(n3cnnn3)CCOCC1)C2	ZINC001111123789	1006310640	/nfs/dbraw/zinc/31/06/40/1006310640.db2.gz	JNUCMDCFYTYOGE-VQHPVUNQSA-N	1	0	374.489	1.255	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)NC[C@H](C(CC)CC)N2CCOCC2)c1	ZINC000041320426	1006402436	/nfs/dbraw/zinc/40/24/36/1006402436.db2.gz	PKNSCQPIKVOMPU-LJQANCHMSA-N	1	0	371.481	1.860	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)CC[N@@H+]1C	ZINC000967010021	1017055147	/nfs/dbraw/zinc/05/51/47/1017055147.db2.gz	YNRXZSNKGWOVFI-UNEWFSDZSA-N	1	0	371.485	1.583	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)N1CCOCC1)C2	ZINC001111147332	1006454785	/nfs/dbraw/zinc/45/47/85/1006454785.db2.gz	WDICBOWHVQDTES-ZACQAIPSSA-N	1	0	351.491	1.021	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CNC(C)=O)o1)C2	ZINC001111152173	1006486623	/nfs/dbraw/zinc/48/66/23/1006486623.db2.gz	QVHCKCGXQWQCOO-OIISXLGYSA-N	1	0	361.442	1.453	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1	ZINC000954264854	1006548732	/nfs/dbraw/zinc/54/87/32/1006548732.db2.gz	SOMJPIUFKXWFDA-NXHRZFHOSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1	ZINC000954380506	1006650430	/nfs/dbraw/zinc/65/04/30/1006650430.db2.gz	DTIXDPYLRIPYOY-AYBZRNKSSA-N	1	0	363.502	1.369	20	30		FDEDRO
C[C@@H](O)C[C@@H]1CCC[N@@H+]1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O	ZINC000155442471	1006682235	/nfs/dbraw/zinc/68/22/35/1006682235.db2.gz	SYYWKKGLNKRSSC-PBHICJAKSA-N	1	0	356.426	1.515	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000954414011	1006754876	/nfs/dbraw/zinc/75/48/76/1006754876.db2.gz	AZFZHRWFQKRHMN-MLHJIOFPSA-N	1	0	363.502	1.367	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCn1cncn1	ZINC001111487368	1006978050	/nfs/dbraw/zinc/97/80/50/1006978050.db2.gz	LUGZOYJLTGCJHQ-KURKYZTESA-N	1	0	361.490	1.763	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1	ZINC000954772405	1007015139	/nfs/dbraw/zinc/01/51/39/1007015139.db2.gz	ONWGPSXZPQQAKA-MSOLQXFVSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)Cn2cc(C3CC[NH2+]CC3)nn2)c(OC)c1	ZINC000641208806	1007016809	/nfs/dbraw/zinc/01/68/09/1007016809.db2.gz	UEDINWXQXCSBJP-QGZVFWFLSA-N	1	0	372.469	1.922	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)CC(F)(F)F)C2	ZINC001111237895	1007021158	/nfs/dbraw/zinc/02/11/58/1007021158.db2.gz	AGYPOVNOZKKSHS-UPJWGTAASA-N	1	0	359.392	1.436	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1	ZINC000954787927	1007024653	/nfs/dbraw/zinc/02/46/53/1007024653.db2.gz	KNUWOTRWALTICV-NXHRZFHOSA-N	1	0	363.502	1.511	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)CC1	ZINC000158840319	1007068971	/nfs/dbraw/zinc/06/89/71/1007068971.db2.gz	VSVSZOHFPXGZPZ-FQEVSTJZSA-N	1	0	367.493	1.682	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1	ZINC000778978551	1007093862	/nfs/dbraw/zinc/09/38/62/1007093862.db2.gz	PXPKDUIYFPPZRE-QWHCGFSZSA-N	1	0	354.451	1.233	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NCCCN(C)c2snc(Cl)c2C#N)O1	ZINC001095770840	1007322391	/nfs/dbraw/zinc/32/23/91/1007322391.db2.gz	JPWSGOGXLLNVKD-ZYHUDNBSSA-N	1	0	371.894	1.330	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1nc(C)nc1C)C2	ZINC001111263569	1007337118	/nfs/dbraw/zinc/33/71/18/1007337118.db2.gz	XYKDTHCUTJYUAT-KURKYZTESA-N	1	0	361.490	1.599	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1	ZINC000955411193	1007448804	/nfs/dbraw/zinc/44/88/04/1007448804.db2.gz	SCJDOOIVHNWHSQ-QGTPRVQTSA-N	1	0	354.454	1.161	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3cc(C)oc3C)C[C@H]2C)CC1	ZINC000947451339	1007602057	/nfs/dbraw/zinc/60/20/57/1007602057.db2.gz	XUPGUHBAZCZYDH-AUUYWEPGSA-N	1	0	371.481	1.818	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1	ZINC000947577009	1007715891	/nfs/dbraw/zinc/71/58/91/1007715891.db2.gz	FSWUKWPNFLVPPQ-MSOLQXFVSA-N	1	0	368.437	1.646	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC000955970779	1007729848	/nfs/dbraw/zinc/72/98/48/1007729848.db2.gz	UNWOECPRCVVIIM-YQQAZPJKSA-N	1	0	357.458	1.337	20	30		FDEDRO
CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000188249655	1007786027	/nfs/dbraw/zinc/78/60/27/1007786027.db2.gz	XOQQTLYZHXVTPW-UHFFFAOYSA-N	1	0	362.405	1.609	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2CNC(=O)[C@]23C[C@H]2CCC3)CC1	ZINC000956051706	1007826389	/nfs/dbraw/zinc/82/63/89/1007826389.db2.gz	FHILSHRNKLNSGT-LVCYWYKZSA-N	1	0	357.498	1.629	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1	ZINC000956057362	1007830022	/nfs/dbraw/zinc/83/00/22/1007830022.db2.gz	MAWQOWHHNYVRFY-ULQDDVLXSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C)(NC(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000956322830	1008023285	/nfs/dbraw/zinc/02/32/85/1008023285.db2.gz	PCWYGBSFFZQGFO-ZACQAIPSSA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)[C@H]2OCC[C@H]2C)CC1	ZINC000956499865	1008179886	/nfs/dbraw/zinc/17/98/86/1008179886.db2.gz	AUXCJNWRFJUIGZ-IKGGRYGDSA-N	1	0	361.486	1.006	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)nc1	ZINC000957458199	1008309988	/nfs/dbraw/zinc/30/99/88/1008309988.db2.gz	OVZWJBWGNGZFLU-DNVCBOLYSA-N	1	0	368.481	1.372	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3CCCC[N@H+]3CC)C2)cn1	ZINC000957461070	1008311691	/nfs/dbraw/zinc/31/16/91/1008311691.db2.gz	YWJKVPAJQUPYQN-ATZDWAIDSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1	ZINC000648939639	1008745163	/nfs/dbraw/zinc/74/51/63/1008745163.db2.gz	FLXAHQNZSWKLIB-IBGZPJMESA-N	1	0	373.497	1.317	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)cc1OC	ZINC000646459219	1008793592	/nfs/dbraw/zinc/79/35/92/1008793592.db2.gz	ONIXTHYSCJAMEY-UHFFFAOYSA-N	1	0	359.470	1.579	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccn2c[nH+]cc2c1	ZINC000950215633	1008862290	/nfs/dbraw/zinc/86/22/90/1008862290.db2.gz	XKWXVABBCPUKQB-SZMVWBNQSA-N	1	0	368.437	1.646	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)C[NH+]1CCC(C)CC1	ZINC000950215725	1008863141	/nfs/dbraw/zinc/86/31/41/1008863141.db2.gz	YHKBWKIUHKWKCP-LNLFQRSKSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)C12CCC[NH+]1CCC2	ZINC000950231249	1008913851	/nfs/dbraw/zinc/91/38/51/1008913851.db2.gz	UXDOWTBCEKOAGM-ZACQAIPSSA-N	1	0	361.486	1.313	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-n3nncc3C)cc2)CC1	ZINC000646592956	1008927532	/nfs/dbraw/zinc/92/75/32/1008927532.db2.gz	ITJQEWSOGVUFMI-UHFFFAOYSA-N	1	0	368.441	1.281	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@]34C[C@H]3CCCC4)C[C@H]2C)CC1	ZINC000958669832	1008937786	/nfs/dbraw/zinc/93/77/86/1008937786.db2.gz	ARTYKMFBDDMHSD-WGQQHEPDSA-N	1	0	371.525	1.875	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1	ZINC000646954924	1009333319	/nfs/dbraw/zinc/33/33/19/1009333319.db2.gz	FWAVFPHTKUMSNN-LPHOPBHVSA-N	1	0	371.481	1.748	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1C(N)=O	ZINC000960136796	1009574881	/nfs/dbraw/zinc/57/48/81/1009574881.db2.gz	IPNDZZILAAOBPS-BBWFWOEESA-N	1	0	358.417	1.289	20	30		FDEDRO
N#Cc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2coc(C(N)=O)c2)C3)c1	ZINC001095809175	1009577431	/nfs/dbraw/zinc/57/74/31/1009577431.db2.gz	SHNHJROJLLLKNM-IKGGRYGDSA-N	1	0	364.405	1.785	20	30		FDEDRO
Cc1cc(NC2CC[NH+](CCNC(=O)[C@H]3CC[C@@H](C)O3)CC2)c(C#N)cn1	ZINC001111322330	1009590769	/nfs/dbraw/zinc/59/07/69/1009590769.db2.gz	CNMXZWMYCRZELS-DNVCBOLYSA-N	1	0	371.485	1.244	20	30		FDEDRO
Cc1ccc(C#N)c(NC2CC[NH+](CCNC(=O)[C@H]3CC[C@@H](C)O3)CC2)n1	ZINC001111322731	1009591214	/nfs/dbraw/zinc/59/12/14/1009591214.db2.gz	YIDOJCWQXZEGIF-CRAIPNDOSA-N	1	0	371.485	1.822	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C3(F)CCCC3)C[C@H]2C)CC1	ZINC000950882331	1009984198	/nfs/dbraw/zinc/98/41/98/1009984198.db2.gz	HQESGLKVVLKQSJ-NVXWUHKLSA-N	1	0	363.477	1.577	20	30		FDEDRO
C=CCn1cc(C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)nn1	ZINC000648177816	1010294370	/nfs/dbraw/zinc/29/43/70/1010294370.db2.gz	VQPSUJQMUCTSPM-UHFFFAOYSA-N	1	0	356.430	1.000	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1	ZINC000951095518	1010444315	/nfs/dbraw/zinc/44/43/15/1010444315.db2.gz	QYAQZRCWCRINOI-ZACQAIPSSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000951152005	1010515274	/nfs/dbraw/zinc/51/52/74/1010515274.db2.gz	VUPDGXUGLAJEQV-IXDOHACOSA-N	1	0	358.486	1.735	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000959681178	1010576607	/nfs/dbraw/zinc/57/66/07/1010576607.db2.gz	IIFRMEISQJVTJZ-PILAGYSTSA-N	1	0	368.437	1.502	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(NC(N)=O)cc1)C2	ZINC001111358951	1010647991	/nfs/dbraw/zinc/64/79/91/1010647991.db2.gz	DKTXWSRTAAEYLX-ZACQAIPSSA-N	1	0	358.442	1.715	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)NC(=O)c1ccccc1)C2	ZINC001111360494	1010677001	/nfs/dbraw/zinc/67/70/01/1010677001.db2.gz	NMPAAPOOCFUGCA-OWYHZJEWSA-N	1	0	371.481	1.729	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(CO)CCCN(c2ccnc(C)n2)C1	ZINC001111373023	1010836729	/nfs/dbraw/zinc/83/67/29/1010836729.db2.gz	BWCVFCTZYCJVRN-GJYPPUQNSA-N	1	0	360.458	1.214	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c(C)csc1=O)C2	ZINC001111387442	1011000671	/nfs/dbraw/zinc/00/06/71/1011000671.db2.gz	RYQCISCDMIRFDN-KFWWJZLASA-N	1	0	351.472	1.142	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC[N@@H+]1C	ZINC000952293779	1011575371	/nfs/dbraw/zinc/57/53/71/1011575371.db2.gz	KEAHKUAUNAMHSV-FUHWJXTLSA-N	1	0	371.485	1.585	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3[C@H]2CCCN3C(=O)C#CC2CC2)CC[N@@H+]1C	ZINC000963059641	1011796404	/nfs/dbraw/zinc/79/64/04/1011796404.db2.gz	SZFKSPBCMOSEFU-MANSERQUSA-N	1	0	357.498	1.722	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC000952528748	1011805897	/nfs/dbraw/zinc/80/58/97/1011805897.db2.gz	QPFFHXSTZVWVHZ-NKGKWGDASA-N	1	0	369.469	1.432	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@H]2CCN3C(=O)[C@@H]2C[C@H]2CC)CC1	ZINC000963214120	1011992980	/nfs/dbraw/zinc/99/29/80/1011992980.db2.gz	MVLCPZZNHWERLU-RSPOEFSDSA-N	1	0	371.525	1.970	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)C1	ZINC000952805193	1012053277	/nfs/dbraw/zinc/05/32/77/1012053277.db2.gz	HIDUBSPOXNIGJV-SFFUCWETSA-N	1	0	361.486	1.121	20	30		FDEDRO
C[NH+](C)CCN1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1=O	ZINC000649685800	1012276279	/nfs/dbraw/zinc/27/62/79/1012276279.db2.gz	MQKXYJCRAORUSJ-UHFFFAOYSA-N	1	0	369.387	1.643	20	30		FDEDRO
C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)CC2)C1	ZINC000961370923	1012301473	/nfs/dbraw/zinc/30/14/73/1012301473.db2.gz	FXURRTHCCNNPSR-NZSAHSFTSA-N	1	0	359.514	1.875	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC([C@H]3CCCN3C(=O)C#CC3CC3)CC2)CC[N@@H+]1C	ZINC000953472127	1012367832	/nfs/dbraw/zinc/36/78/32/1012367832.db2.gz	LXAODISXAGJJGB-NSISKUIASA-N	1	0	371.525	1.970	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CS(=O)(=O)NC(C)(C)C)C2	ZINC001111419664	1012486779	/nfs/dbraw/zinc/48/67/79/1012486779.db2.gz	FRQWSIAPSFTRCL-KFWWJZLASA-N	1	0	357.520	1.392	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)O1	ZINC000305778210	1012501443	/nfs/dbraw/zinc/50/14/43/1012501443.db2.gz	QLBZCXGWNNAMON-GWCFXTLKSA-N	1	0	374.363	1.948	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)C[C@H]21	ZINC000961812296	1012877529	/nfs/dbraw/zinc/87/75/29/1012877529.db2.gz	FSQIHFVMEDAYPC-BAPGRXHISA-N	1	0	370.449	1.595	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc(NC(C)=O)c3)C[C@H]21	ZINC000961828214	1012899093	/nfs/dbraw/zinc/89/90/93/1012899093.db2.gz	WWDHDSKHWUOHQS-SLHNCBLASA-N	1	0	369.465	1.783	20	30		FDEDRO
Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)cn1	ZINC000961831184	1012903562	/nfs/dbraw/zinc/90/35/62/1012903562.db2.gz	AFGZJYQBEGMOSI-PXTPFGJHSA-N	1	0	361.449	1.642	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2CC23CCN(C(=O)c2ccc(C#N)[nH]2)CC3)CC[N@@H+]1C	ZINC000963925590	1012968812	/nfs/dbraw/zinc/96/88/12/1012968812.db2.gz	RFXZLGDFJDPSBS-FRFSOERESA-N	1	0	369.469	1.337	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)CC2(C)C)CC[N@@H+]1C	ZINC000967044850	1017077130	/nfs/dbraw/zinc/07/71/30/1017077130.db2.gz	IZUUJWXQVXCTHX-KBRIMQKVSA-N	1	0	371.485	1.583	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)C#CC4CC4)CC[C@@H]3C2)CC[N@@H+]1C	ZINC000967345386	1017405148	/nfs/dbraw/zinc/40/51/48/1017405148.db2.gz	AVEGMTHPFUDCJR-ZGXWSNOMSA-N	1	0	371.525	1.827	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H](N(C)C(=O)c3cc(C#N)c[nH]3)CC2)CC[N@@H+]1C	ZINC000967531705	1017593975	/nfs/dbraw/zinc/59/39/75/1017593975.db2.gz	PWMIHJMIXKTNKZ-HYVNUMGLSA-N	1	0	371.485	1.680	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCS[C@H](C)CC3)CC2)o1	ZINC000192180461	178099772	/nfs/dbraw/zinc/09/97/72/178099772.db2.gz	MRMWOVIHDIVRQU-CYBMUJFWSA-N	1	0	363.487	1.331	20	30		FDEDRO
N#C[C@H]1CN(C(=O)NCCC[NH+]2CCCC2)C[C@]12C(=O)Nc1ccccc12	ZINC000513848952	539007390	/nfs/dbraw/zinc/00/73/90/539007390.db2.gz	QGYFNQOITOJKIP-YWZLYKJASA-N	1	0	367.453	1.527	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]CCC2CCS(=O)(=O)CC2)cc1	ZINC000516922923	539330138	/nfs/dbraw/zinc/33/01/38/539330138.db2.gz	VPFFMFLAKJPSBR-MRXNPFEDSA-N	1	0	352.456	1.102	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@H]3CC4CCC3CC4)CC2)o1	ZINC000517068242	539345449	/nfs/dbraw/zinc/34/54/49/539345449.db2.gz	HZODOBSNTBTQML-GPANFISMSA-N	1	0	357.458	1.672	20	30		FDEDRO
Cc1cc(C)cc(N2CC[C@@H](C(=O)NC3(C#N)CC[NH+](C)CC3)C2=O)c1	ZINC000517581398	539372163	/nfs/dbraw/zinc/37/21/63/539372163.db2.gz	NXCYXPVIOJLFPL-KRWDZBQOSA-N	1	0	354.454	1.761	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)NCC1CC[NH2+]CC1	ZINC000518348464	539411393	/nfs/dbraw/zinc/41/13/93/539411393.db2.gz	OHNIUSUZUXCHAK-QZTJIDSGSA-N	1	0	354.454	1.401	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC(C(=O)N(CC)CC)CC2)CC1	ZINC000519302794	539479719	/nfs/dbraw/zinc/47/97/19/539479719.db2.gz	QHYUNQWWQHFYPO-UHFFFAOYSA-N	1	0	350.507	1.927	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1	ZINC000264381529	179092976	/nfs/dbraw/zinc/09/29/76/179092976.db2.gz	FIXXBURDANMTJW-PKOBYXMFSA-N	1	0	370.497	1.954	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)COc3ccc(C#N)cc3OC)C2)CC1	ZINC000264495293	179122452	/nfs/dbraw/zinc/12/24/52/179122452.db2.gz	YZGBETMTWNYHLO-QGZVFWFLSA-N	1	0	372.469	1.184	20	30		FDEDRO
C[NH+](C)CCOc1cc(-c2noc(Cc3ccc(C#N)nc3)n2)ccn1	ZINC000528148146	539735919	/nfs/dbraw/zinc/73/59/19/539735919.db2.gz	TWHWUMCBWCFHMN-UHFFFAOYSA-N	1	0	350.382	1.929	20	30		FDEDRO
CC1(N2CCOCC2)CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1	ZINC000528731560	539781133	/nfs/dbraw/zinc/78/11/33/539781133.db2.gz	YNCUXKUYVIABSC-GOSISDBHSA-N	1	0	359.470	1.485	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(CC(=O)Nc3cccc(C#N)c3)CC2)CC1	ZINC000269670655	180356881	/nfs/dbraw/zinc/35/68/81/180356881.db2.gz	QZOMMUGURBYUES-UHFFFAOYSA-N	1	0	369.513	1.987	20	30		FDEDRO
N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCC[C@H]([NH+]3CCCC3)CC1)CC2	ZINC000270183034	180457195	/nfs/dbraw/zinc/45/71/95/180457195.db2.gz	MEKLWOCDHKIURA-SFHVURJKSA-N	1	0	366.465	1.924	20	30		FDEDRO
Cn1nccc1[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)CCO1	ZINC000530233091	539916239	/nfs/dbraw/zinc/91/62/39/539916239.db2.gz	HFRZXFRRDXNSKC-MDZRGWNJSA-N	1	0	356.426	1.541	20	30		FDEDRO
CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccccc2C#N)C1	ZINC000530232057	539915855	/nfs/dbraw/zinc/91/58/55/539915855.db2.gz	WGQYKUSZIHVGLG-OWCLPIDISA-N	1	0	352.456	1.243	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1	ZINC000530514150	539989947	/nfs/dbraw/zinc/98/99/47/539989947.db2.gz	HVHPMQKEPGLHCV-INIZCTEOSA-N	1	0	373.505	1.164	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)n(CCC#N)n1	ZINC000533316362	540231069	/nfs/dbraw/zinc/23/10/69/540231069.db2.gz	MGCUPKYIFKPOAE-OAHLLOKOSA-N	1	0	360.462	1.138	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)n(CCC#N)n1	ZINC000533326726	540232650	/nfs/dbraw/zinc/23/26/50/540232650.db2.gz	SQOYIBAGJDTRQZ-UHFFFAOYSA-N	1	0	372.473	1.521	20	30		FDEDRO
CC[NH+](CC)CC1CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)CC1	ZINC000533458122	540250488	/nfs/dbraw/zinc/25/04/88/540250488.db2.gz	YJAPNEILSCLKPL-UHFFFAOYSA-N	1	0	374.489	1.624	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCCC[N@H+]2CCCC[C@@H]2C)n(CCC#N)n1	ZINC000533466614	540251580	/nfs/dbraw/zinc/25/15/80/540251580.db2.gz	ZDHLMBPYIFBINY-HNNXBMFYSA-N	1	0	360.462	1.424	20	30		FDEDRO
N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@@H]([C@H]4CCOC4)C3)C2=O)cc1	ZINC000533496143	540255377	/nfs/dbraw/zinc/25/53/77/540255377.db2.gz	BGRINTILLLBGST-RYRKJORJSA-N	1	0	353.422	1.939	20	30		FDEDRO
N#Cc1cnc(C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c(Cl)c1	ZINC000534130623	540327691	/nfs/dbraw/zinc/32/76/91/540327691.db2.gz	RCQAGBYGYRNSGT-HOTGVXAUSA-N	1	0	370.840	1.972	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1	ZINC000268828480	674100595	/nfs/dbraw/zinc/10/05/95/674100595.db2.gz	RONBPRQKALECAA-HNNXBMFYSA-N	1	0	365.499	1.507	20	30		FDEDRO
Cc1cccc(NC(=O)CSCC(=O)NC2(C#N)CC[NH+](C)CC2)c1	ZINC000536493363	540602747	/nfs/dbraw/zinc/60/27/47/540602747.db2.gz	TWSDVASOCUFAPJ-UHFFFAOYSA-N	1	0	360.483	1.771	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)CC1	ZINC000538277682	540836411	/nfs/dbraw/zinc/83/64/11/540836411.db2.gz	VDGFEXGIBFXABC-PKOBYXMFSA-N	1	0	374.533	1.789	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(OCC(=O)NC2CC2)cc1	ZINC000539225473	540937132	/nfs/dbraw/zinc/93/71/32/540937132.db2.gz	GJBQPYJWXXYWOI-CYBMUJFWSA-N	1	0	374.441	1.006	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](CC)c1cccc(S(N)(=O)=O)c1	ZINC000541204584	541168097	/nfs/dbraw/zinc/16/80/97/541168097.db2.gz	QXDZBUOQRZINMS-YOEHRIQHSA-N	1	0	365.499	1.964	20	30		FDEDRO
N#CC1(NC(=O)c2cnc3n[nH]nc3c2)CC[NH+](Cc2ccccc2)CC1	ZINC000542669961	541445018	/nfs/dbraw/zinc/44/50/18/541445018.db2.gz	DMCDZXSBPIPCEG-UHFFFAOYSA-N	1	0	361.409	1.641	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC1CC[NH+](C(C)(C)C)CC1	ZINC000542825364	541479758	/nfs/dbraw/zinc/47/97/58/541479758.db2.gz	FRDBLNHLXFSPGQ-UHFFFAOYSA-N	1	0	361.494	1.700	20	30		FDEDRO
Cc1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)nn1-c1cccc(C#N)c1	ZINC000543738739	541649265	/nfs/dbraw/zinc/64/92/65/541649265.db2.gz	UTVAVAZBSRWMLD-QGZVFWFLSA-N	1	0	352.442	1.028	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1C#N	ZINC000275952581	181462958	/nfs/dbraw/zinc/46/29/58/181462958.db2.gz	ZXIWLOHMQZTCDO-MSOLQXFVSA-N	1	0	370.453	1.299	20	30		FDEDRO
COc1cc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)ccc1C#N	ZINC000282427454	182010201	/nfs/dbraw/zinc/01/02/01/182010201.db2.gz	SYZSHJWGUYCOHV-MRXNPFEDSA-N	1	0	351.472	1.861	20	30		FDEDRO
C[C@H](O)CN1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C[C@@H]1C	ZINC000282815818	182059877	/nfs/dbraw/zinc/05/98/77/182059877.db2.gz	RJFZSTXEOCHUIK-GJZGRUSLSA-N	1	0	353.426	1.271	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1)c1ccc(C#N)cc1	ZINC000283298850	182151817	/nfs/dbraw/zinc/15/18/17/182151817.db2.gz	AUBMTJIAHPYNIU-MRXNPFEDSA-N	1	0	356.470	1.974	20	30		FDEDRO
N#Cc1ccc(OCC[NH+]2CCC(n3cnc(C(N)=O)c3N)CC2)cc1	ZINC000283662411	182244720	/nfs/dbraw/zinc/24/47/20/182244720.db2.gz	BXYUERXKGSKMMS-UHFFFAOYSA-N	1	0	354.414	1.152	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1	ZINC000545294880	541927401	/nfs/dbraw/zinc/92/74/01/541927401.db2.gz	CWCUDLDGUMVUEC-GDBMZVCRSA-N	1	0	356.426	1.448	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1	ZINC000545294884	541927961	/nfs/dbraw/zinc/92/79/61/541927961.db2.gz	CWCUDLDGUMVUEC-ZBFHGGJFSA-N	1	0	356.426	1.448	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C#N)cc2OC)CC1	ZINC000545296232	541928410	/nfs/dbraw/zinc/92/84/10/541928410.db2.gz	VCGVMEHRXOKICQ-UHFFFAOYSA-N	1	0	374.441	1.122	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1ccc(C#N)cc1	ZINC000283946154	182325810	/nfs/dbraw/zinc/32/58/10/182325810.db2.gz	KGNZAWVYHJKXLV-MAUKXSAKSA-N	1	0	354.454	1.822	20	30		FDEDRO
C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NCc3cccc(C#N)c3)C2)CC1	ZINC000283962926	182332097	/nfs/dbraw/zinc/33/20/97/182332097.db2.gz	LBMVAYNAOHOVFO-GOSISDBHSA-N	1	0	354.454	1.365	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NCc1cccc(C#N)c1)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000284108275	182367217	/nfs/dbraw/zinc/36/72/17/182367217.db2.gz	UJSFILXCUOZLIZ-QAPCUYQASA-N	1	0	368.481	1.944	20	30		FDEDRO
N#Cc1cccc(N2CC[NH+](C[C@@H](O)COCc3ccccc3F)CC2)n1	ZINC000545504201	541990250	/nfs/dbraw/zinc/99/02/50/541990250.db2.gz	COGYYILUEDFUSI-GOSISDBHSA-N	1	0	370.428	1.792	20	30		FDEDRO
C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(COc3ccccc3C#N)o2)C1	ZINC000545863065	542030688	/nfs/dbraw/zinc/03/06/88/542030688.db2.gz	PHLNAHFCVDLALP-IBGZPJMESA-N	1	0	355.394	1.527	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1	ZINC000545868811	542033003	/nfs/dbraw/zinc/03/30/03/542033003.db2.gz	DNYFUVCZVXSICQ-FQEVSTJZSA-N	1	0	372.469	1.689	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCC[N@@H+](C)C1CCCC1	ZINC000545905476	542046414	/nfs/dbraw/zinc/04/64/14/542046414.db2.gz	PPSIJEMVRQZBSA-UHFFFAOYSA-N	1	0	367.457	2.443	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNc3cc(N)c([N+](=O)[O-])c(C#N)c3)cn2)CC1	ZINC000286161760	183002483	/nfs/dbraw/zinc/00/24/83/183002483.db2.gz	OUVZAERTFCULKV-UHFFFAOYSA-N	1	0	367.413	1.808	20	30		FDEDRO
C[C@H](NC(=O)NCCn1cnc(C#N)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000286589281	183104561	/nfs/dbraw/zinc/10/45/61/183104561.db2.gz	APFJEMFNBPGYTP-RDJZCZTQSA-N	1	0	367.457	1.360	20	30		FDEDRO
CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCCn1cnc(C#N)n1	ZINC000286716897	183134449	/nfs/dbraw/zinc/13/44/49/183134449.db2.gz	HGWJIAMQTUXCND-KRWDZBQOSA-N	1	0	369.473	1.606	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C	ZINC000546612652	542182509	/nfs/dbraw/zinc/18/25/09/542182509.db2.gz	AGHXTKXQSJNUNZ-CZUORRHYSA-N	1	0	367.457	2.298	20	30		FDEDRO
C[N@H+]1C[C@H]2CN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)C[C@H]2C1	ZINC000286965689	183182780	/nfs/dbraw/zinc/18/27/80/183182780.db2.gz	GLSUTAOWZOULGN-CALCHBBNSA-N	1	0	356.445	1.934	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](C(=O)NCC[N@@H+]3CCCOCC3)C2)c(F)c1	ZINC000286899434	183168982	/nfs/dbraw/zinc/16/89/82/183168982.db2.gz	OZWBEIAUBWXUAZ-INIZCTEOSA-N	1	0	360.433	1.362	20	30		FDEDRO
COCCOC[C@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000295430040	184070464	/nfs/dbraw/zinc/07/04/64/184070464.db2.gz	YZIBSBRLDLKGOE-OAHLLOKOSA-N	1	0	352.406	1.564	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNc2ncc(C#N)cc2[N+](=O)[O-])CC1	ZINC000295443183	184071569	/nfs/dbraw/zinc/07/15/69/184071569.db2.gz	GQHQPFHCYMMFTH-UHFFFAOYSA-N	1	0	353.386	1.620	20	30		FDEDRO
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000295619431	184089072	/nfs/dbraw/zinc/08/90/72/184089072.db2.gz	YNBPXIHLMIIZHE-SFHVURJKSA-N	1	0	356.470	1.915	20	30		FDEDRO
CC(C)(C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1)C(N)=O	ZINC000295770837	184103017	/nfs/dbraw/zinc/10/30/17/184103017.db2.gz	YLPSYSLZSJQVHM-IRXDYDNUSA-N	1	0	359.470	1.912	20	30		FDEDRO
N#Cc1ccc2c(c1)N(C(=O)C(=O)NC1CC[NH+](C3CCC3)CC1)CC2	ZINC000296127235	184133197	/nfs/dbraw/zinc/13/31/97/184133197.db2.gz	IODHSJPEDHLGGH-UHFFFAOYSA-N	1	0	352.438	1.580	20	30		FDEDRO
CCc1nnc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)[nH]1	ZINC000297582691	184291118	/nfs/dbraw/zinc/29/11/18/184291118.db2.gz	MAUZILPHIKKIBU-UHFFFAOYSA-N	1	0	355.446	1.512	20	30		FDEDRO
CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N(C)Cc1cccc(C#N)c1	ZINC000297684956	184306675	/nfs/dbraw/zinc/30/66/75/184306675.db2.gz	LUEZMVNGXBYMSC-UHFFFAOYSA-N	1	0	374.485	1.333	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1	ZINC000297795560	184330077	/nfs/dbraw/zinc/33/00/77/184330077.db2.gz	HPODHEJSWQNHTI-WMLDXEAASA-N	1	0	363.483	1.462	20	30		FDEDRO
C[C@@H](C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)[N@H+]1[C@H](C)CC[C@@H]1C	ZINC000298057768	184383695	/nfs/dbraw/zinc/38/36/95/184383695.db2.gz	HOXSFSWZCJROLN-QXSJWSMHSA-N	1	0	356.474	1.647	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1	ZINC000547418519	542336205	/nfs/dbraw/zinc/33/62/05/542336205.db2.gz	YHTYHKDJSHQBOW-AWEZNQCLSA-N	1	0	358.442	1.742	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1	ZINC000547417513	542336262	/nfs/dbraw/zinc/33/62/62/542336262.db2.gz	JVCDXYUATCDVQE-HNNXBMFYSA-N	1	0	358.442	1.742	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CNC(=O)c2ccccc2OC(F)F)CC1	ZINC000547777411	542444439	/nfs/dbraw/zinc/44/44/39/542444439.db2.gz	TZNCTQIPLYEYPE-UHFFFAOYSA-N	1	0	366.368	1.122	20	30		FDEDRO
CC(C)[C@H](CNS(=O)(=O)c1ccc(C#N)cc1)N1CC[NH+](C)CC1	ZINC000071905732	221386838	/nfs/dbraw/zinc/38/68/38/221386838.db2.gz	FFFLBTAYFJWFHG-KRWDZBQOSA-N	1	0	350.488	1.109	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C	ZINC000548766348	542774007	/nfs/dbraw/zinc/77/40/07/542774007.db2.gz	PSAMDBNKRWRCOD-IUODEOHRSA-N	1	0	358.895	1.869	20	30		FDEDRO
Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000548916597	542805393	/nfs/dbraw/zinc/80/53/93/542805393.db2.gz	CSFZFDDTPOXRTD-MRXNPFEDSA-N	1	0	352.442	1.512	20	30		FDEDRO
C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000549260602	542859758	/nfs/dbraw/zinc/85/97/58/542859758.db2.gz	GZPGQVNPNHPLAC-SJORKVTESA-N	1	0	361.490	1.517	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1	ZINC000550025085	542992572	/nfs/dbraw/zinc/99/25/72/542992572.db2.gz	IFMFTMYLFSCJJO-HNNXBMFYSA-N	1	0	365.499	1.662	20	30		FDEDRO
N#Cc1cnn2c1NC[C@H](C[NH2+]C[C@@H]1C[C@H](O)CN1Cc1ccccc1)C2	ZINC000550977910	543209570	/nfs/dbraw/zinc/20/95/70/543209570.db2.gz	KSODUTSBWCRJLU-WDSOQIARSA-N	1	0	366.469	1.021	20	30		FDEDRO
CNS(=O)(=O)c1cccc([C@H](C)NCc2cnc3c(C#N)cnn3c2)c1	ZINC000551053261	543225305	/nfs/dbraw/zinc/22/53/05/543225305.db2.gz	NGYXCFNFSOAJTA-LBPRGKRZSA-N	1	0	370.438	1.360	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@@H](CC)O[C@@H](C)C1)C(C)C	ZINC000551219211	543254164	/nfs/dbraw/zinc/25/41/64/543254164.db2.gz	QMEVPJHZVBWYJC-RCCFBDPRSA-N	1	0	365.518	1.827	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1	ZINC000551392165	543279634	/nfs/dbraw/zinc/27/96/34/543279634.db2.gz	GBGCOYHURVHOHO-UHFFFAOYSA-N	1	0	371.572	1.500	20	30		FDEDRO
CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccn(-c2cccc(C#N)c2)n1	ZINC000552024239	543407352	/nfs/dbraw/zinc/40/73/52/543407352.db2.gz	CBYDRRNUAQIHEQ-MRXNPFEDSA-N	1	0	355.442	1.567	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(c2nc3cc(Cl)ccn3c2C#N)CC1	ZINC000553033595	543556629	/nfs/dbraw/zinc/55/66/29/543556629.db2.gz	FCGWVSZLTJCEKW-UHFFFAOYSA-N	1	0	374.876	1.850	20	30		FDEDRO
CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1	ZINC000091242441	172281334	/nfs/dbraw/zinc/28/13/34/172281334.db2.gz	BDPKMHDNMUOCQR-CYBMUJFWSA-N	1	0	360.462	1.248	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N(C)Cc1cccc(C#N)c1	ZINC000102049481	172346188	/nfs/dbraw/zinc/34/61/88/172346188.db2.gz	SFWXUCHVORMWLZ-GOSISDBHSA-N	1	0	371.485	1.642	20	30		FDEDRO
C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1	ZINC000122331372	172895344	/nfs/dbraw/zinc/89/53/44/172895344.db2.gz	HNHJVAUTQXDSGV-ZFWWWQNUSA-N	1	0	372.473	1.391	20	30		FDEDRO
N#Cc1cc(F)c(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c(F)c1	ZINC000125618481	173012868	/nfs/dbraw/zinc/01/28/68/173012868.db2.gz	KCEBJGFTBLCVRL-LBPRGKRZSA-N	1	0	355.410	1.943	20	30		FDEDRO
Cc1ccc(C[N@@H+]2CCCN(C(=O)Cn3cnc(C#N)c3C#N)CC2)cc1	ZINC000126147973	173031005	/nfs/dbraw/zinc/03/10/05/173031005.db2.gz	FWICGKZFUMTYGF-UHFFFAOYSA-N	1	0	362.437	1.669	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1	ZINC000127446920	173076644	/nfs/dbraw/zinc/07/66/44/173076644.db2.gz	YGLPWYBJSBGNGG-QZTJIDSGSA-N	1	0	370.453	1.381	20	30		FDEDRO
CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC(Oc2ccc(C#N)cc2)C1	ZINC000132228477	173225435	/nfs/dbraw/zinc/22/54/35/173225435.db2.gz	OCYPUERNEHQFTJ-LJQANCHMSA-N	1	0	357.454	1.941	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1c(F)cc(C#N)cc1F	ZINC000132722703	173240729	/nfs/dbraw/zinc/24/07/29/173240729.db2.gz	SYWIUJOBILHLKK-OAHLLOKOSA-N	1	0	364.396	1.509	20	30		FDEDRO
C[NH+](C)CCN1CCC(NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)CC1	ZINC000133335196	173261578	/nfs/dbraw/zinc/26/15/78/173261578.db2.gz	KIKWVZXEBOJTRQ-UHFFFAOYSA-N	1	0	371.485	1.357	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000141653435	173376341	/nfs/dbraw/zinc/37/63/41/173376341.db2.gz	ZBGCLDMSZAQBMQ-MSOLQXFVSA-N	1	0	370.453	1.011	20	30		FDEDRO
N#Cc1ccc(-c2nnc(CN3CC[NH+](C4CCOCC4)CC3)o2)cc1	ZINC000175478320	174008828	/nfs/dbraw/zinc/00/88/28/174008828.db2.gz	PASIOZRAGCCVMK-UHFFFAOYSA-N	1	0	353.426	1.905	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000175983319	174042032	/nfs/dbraw/zinc/04/20/32/174042032.db2.gz	QUZHRHFSPVUWMI-AWEZNQCLSA-N	1	0	374.416	1.207	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+]CC(=O)NCC(F)(F)F)CC2)cc1	ZINC000181602687	174235834	/nfs/dbraw/zinc/23/58/34/174235834.db2.gz	MULMTUQTIZXMEW-UHFFFAOYSA-N	1	0	354.376	1.791	20	30		FDEDRO
Cn1cc(C[NH2+]C[C@H]2CCCN2S(C)(=O)=O)c(-c2ccc(C#N)cc2)n1	ZINC000180341342	258366964	/nfs/dbraw/zinc/36/69/64/258366964.db2.gz	SIHVVZLIQHAFTC-QGZVFWFLSA-N	1	0	373.482	1.472	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)NCC[C@@H]2CC[NH2+]C2)c1	ZINC000178935903	258340428	/nfs/dbraw/zinc/34/04/28/258340428.db2.gz	CYMPEYFBPHSAPG-JTQLQIEISA-N	1	0	358.261	1.599	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)cc1C#N	ZINC000179027068	258342427	/nfs/dbraw/zinc/34/24/27/258342427.db2.gz	QGYLBUBDJLVMPA-UHFFFAOYSA-N	1	0	358.442	1.837	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](c2cccnc2)C2CC2)CC1	ZINC000553712698	543686129	/nfs/dbraw/zinc/68/61/29/543686129.db2.gz	UMLFXNYAACGKLA-SFHVURJKSA-N	1	0	356.470	1.806	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC([C@H]3CCCO3)CC2)CC1	ZINC000553732190	543687983	/nfs/dbraw/zinc/68/79/83/543687983.db2.gz	OYRURHZDOWDRJG-GOSISDBHSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@@H](OCC)C2(CC)CC)CC1	ZINC000553669749	543677936	/nfs/dbraw/zinc/67/79/36/543677936.db2.gz	IYRRMXVDEMXFOK-DLBZAZTESA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(CCOC)[C@H]2CC[C@H](C)C2)CC1	ZINC000553671776	543678781	/nfs/dbraw/zinc/67/87/81/543678781.db2.gz	ZNVJWUXIOXDGRQ-RDJZCZTQSA-N	1	0	351.491	1.417	20	30		FDEDRO
CN1C(=O)C[C@H]([NH2+]CC(=O)NC2(C#N)CCC2)[C@H]1c1ccc(Cl)cc1	ZINC000553911590	543716875	/nfs/dbraw/zinc/71/68/75/543716875.db2.gz	BAMOGMLXTNMWCU-WMLDXEAASA-N	1	0	360.845	1.764	20	30		FDEDRO
C[C@@H]1CN(C[C@@H](O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)C[C@@H](C)O1	ZINC000554566059	543825797	/nfs/dbraw/zinc/82/57/97/543825797.db2.gz	IUYTZIKAPHSTGW-KURKYZTESA-N	1	0	358.486	1.409	20	30		FDEDRO
CCNC(=O)c1ccc(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)cc1	ZINC000554869158	543883710	/nfs/dbraw/zinc/88/37/10/543883710.db2.gz	PGCWALZJJOLDDP-GOSISDBHSA-N	1	0	353.422	1.837	20	30		FDEDRO
N#Cc1c(NC(=O)CC[N@H+]2CC[C@@H](CO)[C@@H](O)C2)sc2c1CCCC2	ZINC000555669762	544001323	/nfs/dbraw/zinc/00/13/23/544001323.db2.gz	KJTBSTPBEBEEIG-WFASDCNBSA-N	1	0	363.483	1.502	20	30		FDEDRO
N#Cc1c(NC(=O)CC[N@H+]2CC[C@@H](CO)[C@H](O)C2)sc2c1CCCC2	ZINC000555669761	544001346	/nfs/dbraw/zinc/00/13/46/544001346.db2.gz	KJTBSTPBEBEEIG-SWLSCSKDSA-N	1	0	363.483	1.502	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)nc1	ZINC000555836980	544038510	/nfs/dbraw/zinc/03/85/10/544038510.db2.gz	OIUYDXGHCQGOOW-UHFFFAOYSA-N	1	0	373.482	1.370	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)c1ccc(C#N)cc1	ZINC000556040423	544080778	/nfs/dbraw/zinc/08/07/78/544080778.db2.gz	XTJCCNXQQRUXFD-HNNXBMFYSA-N	1	0	372.469	1.305	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1	ZINC000556058282	544084050	/nfs/dbraw/zinc/08/40/50/544084050.db2.gz	CBZFNCATDKGARB-KRWDZBQOSA-N	1	0	353.507	1.520	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCO[C@H](C)[C@@H]1C)C(C)C	ZINC000556208695	544118149	/nfs/dbraw/zinc/11/81/49/544118149.db2.gz	VSCRLVCARDRUCM-GVDBMIGSSA-N	1	0	351.491	1.437	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCO[C@@H](C)[C@H]1C)C(C)C	ZINC000556208698	544118244	/nfs/dbraw/zinc/11/82/44/544118244.db2.gz	VSCRLVCARDRUCM-IXDOHACOSA-N	1	0	351.491	1.437	20	30		FDEDRO
C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1cc(C#N)cs1	ZINC000556894666	544218476	/nfs/dbraw/zinc/21/84/76/544218476.db2.gz	HMAVPXHTFBORGF-UHFFFAOYSA-N	1	0	351.453	1.778	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCc3ccc(OC)cc3C2)CC1	ZINC000557731629	544337963	/nfs/dbraw/zinc/33/79/63/544337963.db2.gz	UTXWPESSNQJEID-UHFFFAOYSA-N	1	0	371.481	1.737	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCc2cc(F)ccc2F)CC1	ZINC000557732443	544338154	/nfs/dbraw/zinc/33/81/54/544338154.db2.gz	RXYCBUGKKZHOEH-UHFFFAOYSA-N	1	0	365.424	1.780	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)NCc2ccccc2C[NH+]2CCCCC2)n1	ZINC000557748336	544341043	/nfs/dbraw/zinc/34/10/43/544341043.db2.gz	INIMMXSKXVDELS-UHFFFAOYSA-N	1	0	367.457	1.635	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2C[C@@H](C)O)CC1	ZINC000557756962	544342546	/nfs/dbraw/zinc/34/25/46/544342546.db2.gz	WMRGYXRSMNNTIB-NVXWUHKLSA-N	1	0	351.491	1.295	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@@H](OC(C)C)C2(C)C)CC1	ZINC000557757599	544342647	/nfs/dbraw/zinc/34/26/47/544342647.db2.gz	ZXSVDSOQKMJBLU-DLBZAZTESA-N	1	0	365.518	1.851	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1	ZINC000559487143	544703888	/nfs/dbraw/zinc/70/38/88/544703888.db2.gz	DPAXKMFFFJMIMA-UHFFFAOYSA-N	1	0	359.470	1.560	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCO[C@H](C(C)C)C2)CC1	ZINC000559496391	544706416	/nfs/dbraw/zinc/70/64/16/544706416.db2.gz	WFQLDVZBXOTESV-MSOLQXFVSA-N	1	0	350.507	1.426	20	30		FDEDRO
N#Cc1ccc(CN2CCC[N@@H+](C[C@@H]3CCCS(=O)(=O)C3)CC2)cc1	ZINC000560157061	544900362	/nfs/dbraw/zinc/90/03/62/544900362.db2.gz	IJRLRXRHLOOUQD-IBGZPJMESA-N	1	0	361.511	1.891	20	30		FDEDRO
N#Cc1ncn(CC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1	ZINC000560281712	544934249	/nfs/dbraw/zinc/93/42/49/544934249.db2.gz	WOOIMOZTIPNFBE-UHFFFAOYSA-N	1	0	364.453	1.664	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1	ZINC000560426290	545004617	/nfs/dbraw/zinc/00/46/17/545004617.db2.gz	CDLFXEDKLBYVSN-LBPRGKRZSA-N	1	0	358.833	2.471	20	30		FDEDRO
C[C@H]1C[NH+](CCCCNc2ccc(S(N)(=O)=O)cc2C#N)C[C@H](C)O1	ZINC000301742779	259032395	/nfs/dbraw/zinc/03/23/95/259032395.db2.gz	YTGREGAJGPAMRM-KBPBESRZSA-N	1	0	366.487	1.507	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@@H]3[C@H]3COCC[C@H]3O)C2=O)cc1	ZINC000328772430	259057801	/nfs/dbraw/zinc/05/78/01/259057801.db2.gz	HDRYYOFFQATCEW-YSTOQKLRSA-N	1	0	369.465	1.915	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2C#N)C[C@@H]1[NH+](C)C	ZINC000330599512	259152835	/nfs/dbraw/zinc/15/28/35/259152835.db2.gz	XPCNUEDDNGULKM-STQMWFEESA-N	1	0	359.904	1.878	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cc1C(F)(F)F	ZINC000331848920	259224081	/nfs/dbraw/zinc/22/40/81/259224081.db2.gz	VRRFAVVWWSYJSF-SMDDNHRTSA-N	1	0	359.373	1.950	20	30		FDEDRO
C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000332285661	259254919	/nfs/dbraw/zinc/25/49/19/259254919.db2.gz	IECXVEUOQGLKMU-SUMWQHHRSA-N	1	0	352.442	1.738	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCCC[C@H]1C[NH3+]	ZINC000332556062	259277359	/nfs/dbraw/zinc/27/73/59/259277359.db2.gz	RYNOEQPCMVSQPA-QLFBSQMISA-N	1	0	357.462	1.086	20	30		FDEDRO
C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)Cc2ccc(C#N)cc2)CC1	ZINC000332607561	259282020	/nfs/dbraw/zinc/28/20/20/259282020.db2.gz	JVUVDFARUQAHMS-UHFFFAOYSA-N	1	0	364.515	1.394	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)C2=O)cc1	ZINC000333554242	259359300	/nfs/dbraw/zinc/35/93/00/259359300.db2.gz	KPAPRYICYUJCIJ-BQFCYCMXSA-N	1	0	367.453	1.305	20	30		FDEDRO
C[C@@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CCn1cnc(C#N)n1	ZINC000367527475	260055848	/nfs/dbraw/zinc/05/58/48/260055848.db2.gz	OWKILMKXBJCGFN-KBPBESRZSA-N	1	0	364.450	1.154	20	30		FDEDRO
CN(C(=O)NCc1ccc(C#N)cc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000368435406	260182849	/nfs/dbraw/zinc/18/28/49/260182849.db2.gz	LPUSDWBHMIHGLX-IBGZPJMESA-N	1	0	355.486	1.868	20	30		FDEDRO
CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C#N)nc1	ZINC000368795383	260238003	/nfs/dbraw/zinc/23/80/03/260238003.db2.gz	FVJBJEDSMASDMY-FQEVSTJZSA-N	1	0	350.422	1.662	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCCN(C(=O)[C@H]3CCCO3)CC2)cc1	ZINC000368909401	260258990	/nfs/dbraw/zinc/25/89/90/260258990.db2.gz	IHEHPCZCBASLHY-IEBWSBKVSA-N	1	0	373.453	1.011	20	30		FDEDRO
CCC[NH+]1CCN(C2CCN(c3ncc([N+](=O)[O-])cc3C#N)CC2)CC1	ZINC000369155804	260304007	/nfs/dbraw/zinc/30/40/07/260304007.db2.gz	MNBTYCZLLKODSQ-UHFFFAOYSA-N	1	0	358.446	1.858	20	30		FDEDRO
C[NH+](C)CC1(NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCC1	ZINC000369713779	260418598	/nfs/dbraw/zinc/41/85/98/260418598.db2.gz	FCGYUGNOYSMXIK-UHFFFAOYSA-N	1	0	356.474	1.706	20	30		FDEDRO
N#Cc1ncn(C2CC[NH+](CCC(=O)N3CCc4ccccc43)CC2)n1	ZINC000369729176	260421055	/nfs/dbraw/zinc/42/10/55/260421055.db2.gz	HUZKFPYXJXUKPL-UHFFFAOYSA-N	1	0	350.426	1.766	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1	ZINC000371765166	260762967	/nfs/dbraw/zinc/76/29/67/260762967.db2.gz	HYZQOJUTCZHHNK-MRXNPFEDSA-N	1	0	373.453	1.011	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[NH+]1CCC(N2C(=O)CCCC2=O)CC1	ZINC000372316428	260844683	/nfs/dbraw/zinc/84/46/83/260844683.db2.gz	QYTOJYPNRIVUDK-UHFFFAOYSA-N	1	0	371.437	1.949	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CC[C@@H](C[NH+](C)C)C3)C2)n1	ZINC000372673441	260910787	/nfs/dbraw/zinc/91/07/87/260910787.db2.gz	HLDDKRPHVPUTDY-FUHWJXTLSA-N	1	0	355.486	1.888	20	30		FDEDRO
N#Cc1cc(F)c(N2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)c(F)c1	ZINC000373796386	261041359	/nfs/dbraw/zinc/04/13/59/261041359.db2.gz	UMCIPNVJVBAOTL-CYBMUJFWSA-N	1	0	355.410	1.582	20	30		FDEDRO
CCOC(=O)[C@@]1(COC)CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000374171599	261088970	/nfs/dbraw/zinc/08/89/70/261088970.db2.gz	JRENEXYBIWCXMF-FQEVSTJZSA-N	1	0	373.453	1.466	20	30		FDEDRO
C[NH+](C)CCN1CCCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1	ZINC000374217338	261095759	/nfs/dbraw/zinc/09/57/59/261095759.db2.gz	KXZVAXBXHYFAIX-UHFFFAOYSA-N	1	0	366.469	1.453	20	30		FDEDRO
Cn1cc(C[NH2+][C@H](CC(N)=O)C2CCOCC2)c(-c2ccc(C#N)cc2)n1	ZINC000374968442	261237154	/nfs/dbraw/zinc/23/71/54/261237154.db2.gz	IBWHKVCIKUMGLF-GOSISDBHSA-N	1	0	367.453	1.719	20	30		FDEDRO
C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000375637461	261387933	/nfs/dbraw/zinc/38/79/33/261387933.db2.gz	UOQHIDMFWOMNBR-OLZOCXBDSA-N	1	0	364.427	1.714	20	30		FDEDRO
C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000409483495	262123812	/nfs/dbraw/zinc/12/38/12/262123812.db2.gz	GYYIJLDKTRTDTJ-ZDUSSCGKSA-N	1	0	365.377	1.168	20	30		FDEDRO
CC[C@@H]1CN(CCNC(=O)c2ccn(-c3cccc(C#N)c3)n2)CCO1	ZINC000409996240	262149972	/nfs/dbraw/zinc/14/99/72/262149972.db2.gz	FDGINDZUEMTTSP-QGZVFWFLSA-N	1	0	353.426	1.585	20	30		FDEDRO
CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)cc1	ZINC000271155876	674316556	/nfs/dbraw/zinc/31/65/56/674316556.db2.gz	CUXRREQJOOUTJC-INIZCTEOSA-N	1	0	350.488	1.537	20	30		FDEDRO
CCCC(=O)N1CSC[C@@H]1C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N	ZINC000534792318	490410541	/nfs/dbraw/zinc/41/05/41/490410541.db2.gz	QCSWVBUMFQSQLE-CYBMUJFWSA-N	1	0	364.475	1.073	20	30		FDEDRO
C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1	ZINC000509754460	490460630	/nfs/dbraw/zinc/46/06/30/490460630.db2.gz	GXJFVMCYYHIPHI-NSHDSACASA-N	1	0	374.832	1.402	20	30		FDEDRO
C[C@H](NC(=O)C(=O)Nc1ccn(CCC#N)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000513604813	490740409	/nfs/dbraw/zinc/74/04/09/490740409.db2.gz	XTINZGXPWAYHMI-LSDHHAIUSA-N	1	0	372.473	1.504	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)nn1CCC#N	ZINC000505027120	490817249	/nfs/dbraw/zinc/81/72/49/490817249.db2.gz	NXKTXNVXGTWXJC-MRXNPFEDSA-N	1	0	372.473	1.234	20	30		FDEDRO
Cn1cc(C#N)c(NC(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)n1	ZINC000610562243	492251767	/nfs/dbraw/zinc/25/17/67/492251767.db2.gz	LRFFPVYZRYABEM-UHFFFAOYSA-N	1	0	367.457	1.361	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1	ZINC000611598076	492290902	/nfs/dbraw/zinc/29/09/02/492290902.db2.gz	RSWMFQDOOYSBJC-GFCCVEGCSA-N	1	0	370.388	1.032	20	30		FDEDRO
N#Cc1ccnc(N2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)c1	ZINC000025941435	519092752	/nfs/dbraw/zinc/09/27/52/519092752.db2.gz	WZRKMLKJSXTWLQ-UHFFFAOYSA-N	1	0	360.421	1.976	20	30		FDEDRO
Cc1ccccc1C[N@H+]1CCCN(S(=O)(=O)N(C)CCC#N)CC1	ZINC000042168055	519684947	/nfs/dbraw/zinc/68/49/47/519684947.db2.gz	BHOKZNJHGMULJA-UHFFFAOYSA-N	1	0	350.488	1.593	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(C(=O)N2CCOCC2)CC1	ZINC000042355833	519689432	/nfs/dbraw/zinc/68/94/32/519689432.db2.gz	MPQWUOPRHRHYDN-INIZCTEOSA-N	1	0	351.491	1.370	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)[C@H](C)Oc1ccc(C#N)cc1)[NH+]1CCN(C)CC1	ZINC000042578159	519695706	/nfs/dbraw/zinc/69/57/06/519695706.db2.gz	WQRIOLBHDQSHGO-QFBILLFUSA-N	1	0	358.486	1.714	20	30		FDEDRO
COC(=O)c1cccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1	ZINC000056016066	521762408	/nfs/dbraw/zinc/76/24/08/521762408.db2.gz	ZBYITOZJLWTZPF-UHFFFAOYSA-N	1	0	366.421	1.944	20	30		FDEDRO
Cc1nc(C)c(CC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(=O)[nH]1	ZINC000056016061	521763384	/nfs/dbraw/zinc/76/33/84/521763384.db2.gz	KGGZSSNNGUNZRI-UHFFFAOYSA-N	1	0	367.453	1.391	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C	ZINC000069530149	521908581	/nfs/dbraw/zinc/90/85/81/521908581.db2.gz	PZKURQUEGLPUEE-OAHLLOKOSA-N	1	0	360.458	1.023	20	30		FDEDRO
Cc1ccc(S(=O)(=O)CCC(=O)N(CCC#N)CCC[NH+](C)C)cc1	ZINC000069576375	521918323	/nfs/dbraw/zinc/91/83/23/521918323.db2.gz	FLKGCCRQWHLCLH-UHFFFAOYSA-N	1	0	365.499	1.853	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[N@@H+](C(C)C)CC1	ZINC000069988356	521990832	/nfs/dbraw/zinc/99/08/32/521990832.db2.gz	WTYJSHDVXSGZDK-UHFFFAOYSA-N	1	0	358.442	1.838	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)c1	ZINC000057721426	522146321	/nfs/dbraw/zinc/14/63/21/522146321.db2.gz	NRDQLICBSKWKJJ-CYBMUJFWSA-N	1	0	351.472	1.363	20	30		FDEDRO
CCN(CC)C(=O)CN1CCC[N@H+](CCOc2ccccc2C#N)CC1	ZINC000060467954	522384725	/nfs/dbraw/zinc/38/47/25/522384725.db2.gz	STHOLHOGSFUIKK-UHFFFAOYSA-N	1	0	358.486	1.813	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1	ZINC000060480949	522386987	/nfs/dbraw/zinc/38/69/87/522386987.db2.gz	VWQUEAZMWLWYSB-UHFFFAOYSA-N	1	0	360.421	1.976	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CC)cc1	ZINC000047157314	522459858	/nfs/dbraw/zinc/45/98/58/522459858.db2.gz	ALXHAGXRQIRIKX-HNNXBMFYSA-N	1	0	351.472	1.365	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC2CC[NH+](CCC)CC2)cc1	ZINC000061510319	522462660	/nfs/dbraw/zinc/46/26/60/522462660.db2.gz	QTHVFOHCCVFFTE-UHFFFAOYSA-N	1	0	365.499	1.755	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCCC[NH+]2CCCC2)c1	ZINC000061547927	522468050	/nfs/dbraw/zinc/46/80/50/522468050.db2.gz	JLMSVFACMWNRPY-UHFFFAOYSA-N	1	0	351.472	1.367	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1	ZINC000047264372	522483191	/nfs/dbraw/zinc/48/31/91/522483191.db2.gz	NFBOCWWVSHLNNM-IAGOWNOFSA-N	1	0	363.483	1.508	20	30		FDEDRO
CC[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N(C)Cc1ccco1	ZINC000073862339	522621708	/nfs/dbraw/zinc/62/17/08/522621708.db2.gz	SEDURURUVJYAAR-UHFFFAOYSA-N	1	0	356.492	1.349	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC[N@@H+](CC)C2)cc1	ZINC000063852375	522661266	/nfs/dbraw/zinc/66/12/66/522661266.db2.gz	MHQGVRSFCNJJPS-OAHLLOKOSA-N	1	0	365.499	1.613	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCNC(=O)[C@H]2c2cccs2)CC1	ZINC000074130023	522688132	/nfs/dbraw/zinc/68/81/32/522688132.db2.gz	UPBYQKJDCGRAEE-MRXNPFEDSA-N	1	0	362.499	1.971	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)cc1	ZINC000074137005	522690659	/nfs/dbraw/zinc/69/06/59/522690659.db2.gz	HTOFHIOBXJMZJN-MRXNPFEDSA-N	1	0	367.515	1.857	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNC(=O)CSCc2ccc(C#N)cc2)CC1	ZINC000048229307	522697221	/nfs/dbraw/zinc/69/72/21/522697221.db2.gz	FIGWJCBECHQJHJ-INIZCTEOSA-N	1	0	360.527	1.934	20	30		FDEDRO
Cc1ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cc1NS(C)(=O)=O	ZINC000064381068	522710056	/nfs/dbraw/zinc/71/00/56/522710056.db2.gz	QUSYROGMCRNVDL-UHFFFAOYSA-N	1	0	366.487	1.674	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1	ZINC000074616601	522806324	/nfs/dbraw/zinc/80/63/24/522806324.db2.gz	LUSFHZRJLPYZDZ-LJQANCHMSA-N	1	0	373.501	1.374	20	30		FDEDRO
N#Cc1cnn(-c2ccc(C(=O)N3CC[NH+](CC4CC4)CC3)cc2)c1N	ZINC000066240909	522998355	/nfs/dbraw/zinc/99/83/55/522998355.db2.gz	XVIXXYPEUORDIG-UHFFFAOYSA-N	1	0	350.426	1.494	20	30		FDEDRO
C[N@H+](CCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C1CC1	ZINC000076299628	523071073	/nfs/dbraw/zinc/07/10/73/523071073.db2.gz	SQZQAWVNUZDGDW-UHFFFAOYSA-N	1	0	354.332	1.726	20	30		FDEDRO
CC(C)[C@H](CNC(=O)[C@@H](C)Oc1ccccc1C#N)[NH+]1CCN(C)CC1	ZINC000076484063	523124116	/nfs/dbraw/zinc/12/41/16/523124116.db2.gz	RNCROTPIIZFHHY-AEFFLSMTSA-N	1	0	358.486	1.714	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(NC(C)=O)ccc2F)CC1	ZINC000076512776	523128763	/nfs/dbraw/zinc/12/87/63/523128763.db2.gz	GUWCSQZACHLUGW-UHFFFAOYSA-N	1	0	362.405	1.489	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CC[C@H](C[NH+](CC)CC)C2)c1	ZINC000076645372	523155764	/nfs/dbraw/zinc/15/57/64/523155764.db2.gz	YWHZTBRSVGJANZ-MRXNPFEDSA-N	1	0	357.454	1.827	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)CN2CC[NH+](CC3CCOCC3)CC2)cc1	ZINC000077176337	523261140	/nfs/dbraw/zinc/26/11/40/523261140.db2.gz	WXAOALBIKNMYJR-FQEVSTJZSA-N	1	0	373.497	1.537	20	30		FDEDRO
C=CCNC(=O)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1	ZINC000066981311	523288726	/nfs/dbraw/zinc/28/87/26/523288726.db2.gz	QFWAMENEFMLQFB-UHFFFAOYSA-N	1	0	358.442	1.742	20	30		FDEDRO
O=C(Nc1ncn(Cc2ccccc2)n1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1	ZINC000077746758	523443806	/nfs/dbraw/zinc/44/38/06/523443806.db2.gz	QMISKOXLBGYWSQ-MRXNPFEDSA-N	1	0	368.441	1.611	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(c2nnc3ccccn32)CC1	ZINC000078793919	523651060	/nfs/dbraw/zinc/65/10/60/523651060.db2.gz	LSEOTUPCDOYPRJ-ZDUSSCGKSA-N	1	0	356.430	1.309	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CCC[N@H+](Cc2ccc(F)cc2)CC1	ZINC000078809152	523654772	/nfs/dbraw/zinc/65/47/72/523654772.db2.gz	QAZBLYQPNAEFNS-HNNXBMFYSA-N	1	0	362.449	1.734	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H](C)[NH+](CC)CC)c1	ZINC000055220383	523772967	/nfs/dbraw/zinc/77/29/67/523772967.db2.gz	WGKBVYPZYPFVSF-CQSZACIVSA-N	1	0	353.488	1.611	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCC2)c1	ZINC000055265073	523782208	/nfs/dbraw/zinc/78/22/08/523782208.db2.gz	PGOQTSNIUDRDDJ-OAHLLOKOSA-N	1	0	365.499	1.613	20	30		FDEDRO
CC1CC[NH+](C[C@@H](O)CNC(=O)NCCOc2ccc(C#N)cc2)CC1	ZINC000080468856	523883802	/nfs/dbraw/zinc/88/38/02/523883802.db2.gz	OOOVDNJXDFAOKW-KRWDZBQOSA-N	1	0	360.458	1.329	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN(CCC#N)Cc2ccccn2)C1	ZINC000081158935	523945964	/nfs/dbraw/zinc/94/59/64/523945964.db2.gz	RWBQAIMNJFKYTJ-IBGZPJMESA-N	1	0	373.501	1.270	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC1CC[NH+](C2CC2)CC1	ZINC000156751585	524142245	/nfs/dbraw/zinc/14/22/45/524142245.db2.gz	UZTOYYXKDKYLNG-CQSZACIVSA-N	1	0	369.473	1.195	20	30		FDEDRO
COC(=O)c1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)ccn1	ZINC000081726788	524175118	/nfs/dbraw/zinc/17/51/18/524175118.db2.gz	ZUXPJYHCQSRSLY-UHFFFAOYSA-N	1	0	366.421	1.944	20	30		FDEDRO
CC[NH+]1CCN(C[C@H](C)CNC(=O)C#Cc2ccc3c(c2)OCO3)CC1	ZINC000136317962	524195870	/nfs/dbraw/zinc/19/58/70/524195870.db2.gz	RJQCCFQNYQODAN-MRXNPFEDSA-N	1	0	357.454	1.157	20	30		FDEDRO
[NH2+]=C(NC[C@@H](O)COc1ccc(F)cc1)N[C@H]1CCOc2ccccc21	ZINC000083033587	524234673	/nfs/dbraw/zinc/23/46/73/524234673.db2.gz	WYEMGAJZFZSHIO-PBHICJAKSA-N	1	0	359.401	1.994	20	30		FDEDRO
C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@@H](O)CN1CCOCC1	ZINC000083245559	524248655	/nfs/dbraw/zinc/24/86/55/524248655.db2.gz	LJIMXEJGBDLJLI-QGZVFWFLSA-N	1	0	356.388	1.682	20	30		FDEDRO
C=C(C)CNC(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1	ZINC000157322160	524253546	/nfs/dbraw/zinc/25/35/46/524253546.db2.gz	DONINBQFSBHDKD-UHFFFAOYSA-N	1	0	366.487	1.710	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@](C)(C[NH3+])CC(C)C)c1	ZINC000157347408	524256811	/nfs/dbraw/zinc/25/68/11/524256811.db2.gz	FCJYUBMHBMSJMT-KRWDZBQOSA-N	1	0	353.488	1.644	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)CC1	ZINC000111613855	524312239	/nfs/dbraw/zinc/31/22/39/524312239.db2.gz	RBXAAMWOCSPNGS-UHFFFAOYSA-N	1	0	367.453	1.742	20	30		FDEDRO
N#Cc1cccc(NC(=O)CC[N@H+](CCC(F)(F)F)C[C@H](O)CO)c1	ZINC000084867240	524334247	/nfs/dbraw/zinc/33/42/47/524334247.db2.gz	XOQAXWHWUZKEJP-AWEZNQCLSA-N	1	0	359.348	1.494	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)CN(C)CCN1CCN(c2ccccc2)CC1	ZINC000157787393	524339820	/nfs/dbraw/zinc/33/98/20/524339820.db2.gz	ACZUNGLDMWVCOC-LJQANCHMSA-N	1	0	371.529	1.749	20	30		FDEDRO
C[NH+]1CCN(c2cc(C(=O)N[C@H](C#N)c3ccccc3F)ccn2)CC1	ZINC000112286036	524447545	/nfs/dbraw/zinc/44/75/45/524447545.db2.gz	VBGRSIMJHOTYLB-QGZVFWFLSA-N	1	0	353.401	1.967	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)n1nnc(-c2ccccc2)n1	ZINC000173832761	524464544	/nfs/dbraw/zinc/46/45/44/524464544.db2.gz	WGBVANTYFLENSA-HNNXBMFYSA-N	1	0	355.446	1.595	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCC[S@@](=O)C(C)(C)C)=[NH+]C[C@H]2C1	ZINC000089120899	524476920	/nfs/dbraw/zinc/47/69/20/524476920.db2.gz	ZBCVMTNMHIGTQF-CANCMXDXSA-N	1	0	372.535	1.414	20	30		FDEDRO
C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CCc2ccc(C#N)cc2)cn1	ZINC000150911766	524503084	/nfs/dbraw/zinc/50/30/84/524503084.db2.gz	VXZUPYUDEYLPLM-UHFFFAOYSA-N	1	0	368.441	1.004	20	30		FDEDRO
Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1)CC2	ZINC000174084320	524514272	/nfs/dbraw/zinc/51/42/72/524514272.db2.gz	QOLKEBYIWCJSEO-GDBMZVCRSA-N	1	0	352.442	1.826	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-n3cncn3)c(C)c2)c1C#N	ZINC000089662558	524518732	/nfs/dbraw/zinc/51/87/32/524518732.db2.gz	HRMDYESPXBZXFM-UHFFFAOYSA-N	1	0	364.413	1.575	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)Cc3cccc(OCC#N)c3)CC2)CC1	ZINC000089805465	524530364	/nfs/dbraw/zinc/53/03/64/524530364.db2.gz	NWYGVGNBHMFHNZ-UHFFFAOYSA-N	1	0	370.497	1.806	20	30		FDEDRO
N#Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)[nH]1	ZINC000158905186	524549816	/nfs/dbraw/zinc/54/98/16/524549816.db2.gz	HYBGKBYNYSLYMX-UHFFFAOYSA-N	1	0	351.410	1.836	20	30		FDEDRO
Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000089943761	524557167	/nfs/dbraw/zinc/55/71/67/524557167.db2.gz	CJVXOUZSPOVXJJ-OAHLLOKOSA-N	1	0	368.485	1.784	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)[C@H]1CCN(c2ccccc2F)C1=O	ZINC000089943009	524557568	/nfs/dbraw/zinc/55/75/68/524557568.db2.gz	JAXOMSGJAXJNQX-INIZCTEOSA-N	1	0	356.405	1.673	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[N@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1	ZINC000089952204	524560331	/nfs/dbraw/zinc/56/03/31/524560331.db2.gz	FKZFDUJTWKWMDW-CVEARBPZSA-N	1	0	350.488	1.629	20	30		FDEDRO
C=C(C)COCCNC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1	ZINC000151478868	524586306	/nfs/dbraw/zinc/58/63/06/524586306.db2.gz	RXBREFYTORPXIK-QZTJIDSGSA-N	1	0	352.523	1.779	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(F)cc2NS(C)(=O)=O)CC1	ZINC000091161173	524647305	/nfs/dbraw/zinc/64/73/05/524647305.db2.gz	SNYGWOSKELANIC-UHFFFAOYSA-N	1	0	353.419	1.481	20	30		FDEDRO
CCCC[NH+]1CCC(NC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CC1	ZINC000091238953	524674349	/nfs/dbraw/zinc/67/43/49/524674349.db2.gz	PCHWVKPDYCWLEX-UHFFFAOYSA-N	1	0	360.462	1.655	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)n1	ZINC000091249431	524681640	/nfs/dbraw/zinc/68/16/40/524681640.db2.gz	SIIOLAUBGPRFMT-UHFFFAOYSA-N	1	0	372.473	1.751	20	30		FDEDRO
CCCO[C@H]1CCC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1	ZINC000091559736	524725931	/nfs/dbraw/zinc/72/59/31/524725931.db2.gz	POUWENGEPQNSOZ-OALUTQOASA-N	1	0	364.534	1.960	20	30		FDEDRO
C#CCCOc1ccc(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)cc1	ZINC000092530291	524892001	/nfs/dbraw/zinc/89/20/01/524892001.db2.gz	WQVGOGYYZJQFEG-UHFFFAOYSA-N	1	0	350.484	1.945	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC(N)=O)C1	ZINC000175261252	524921494	/nfs/dbraw/zinc/92/14/94/524921494.db2.gz	UQOOOGCKURAJCH-HZPDHXFCSA-N	1	0	372.469	1.918	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1	ZINC000093261434	524976095	/nfs/dbraw/zinc/97/60/95/524976095.db2.gz	RWXZNPXUQJCSLU-HNNXBMFYSA-N	1	0	374.485	1.837	20	30		FDEDRO
CC(C)(Oc1ccc(C#N)cc1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC000160865430	524985243	/nfs/dbraw/zinc/98/52/43/524985243.db2.gz	HFJNHUUZWBMFCX-INIZCTEOSA-N	1	0	372.469	1.419	20	30		FDEDRO
C=CCc1cc(C[N@H+](C)C[C@H](O)CN2CCOCC2)cc(OC)c1O	ZINC000093583346	524993448	/nfs/dbraw/zinc/99/34/48/524993448.db2.gz	NUUGXBFWFSNYTD-KRWDZBQOSA-N	1	0	350.459	1.254	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N(C)C[C@@H]3CCC[N@H+](C)C3)cc2C1=O	ZINC000115443715	524997473	/nfs/dbraw/zinc/99/74/73/524997473.db2.gz	KDWXTIRYQGXFQO-CQSZACIVSA-N	1	0	355.438	1.882	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N(C)C[C@H]3CCC[N@H+](C)C3)cc2C1=O	ZINC000115443711	524999095	/nfs/dbraw/zinc/99/90/95/524999095.db2.gz	KDWXTIRYQGXFQO-AWEZNQCLSA-N	1	0	355.438	1.882	20	30		FDEDRO
CCc1nnc(NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c(C#N)c1CC	ZINC000124483987	524999965	/nfs/dbraw/zinc/99/99/65/524999965.db2.gz	ZPZGKXYOYVPWJZ-QGZVFWFLSA-N	1	0	358.490	1.828	20	30		FDEDRO
C[C@@H](NC(=O)N1CCN(c2ccc(C#N)cn2)CC1)C(C)(C)C[NH+](C)C	ZINC000176022219	525043103	/nfs/dbraw/zinc/04/31/03/525043103.db2.gz	GRQDTMAUQZYHSO-OAHLLOKOSA-N	1	0	358.490	1.761	20	30		FDEDRO
C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000124830853	525087854	/nfs/dbraw/zinc/08/78/54/525087854.db2.gz	DZCBKFQOAZUOIZ-LBPRGKRZSA-N	1	0	358.261	1.693	20	30		FDEDRO
COCCNC(=[NH2+])NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1	ZINC000161536919	525124412	/nfs/dbraw/zinc/12/44/12/525124412.db2.gz	MEOIOSJSRACWRO-HNNXBMFYSA-N	1	0	374.407	1.629	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N(CCC)C2CC[NH2+]CC2)c1	ZINC000125099069	525142336	/nfs/dbraw/zinc/14/23/36/525142336.db2.gz	PTRXTYREMVPYGW-UHFFFAOYSA-N	1	0	365.499	1.755	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1	ZINC000176586727	525147574	/nfs/dbraw/zinc/14/75/74/525147574.db2.gz	CEQBTTPJWHIVPM-HNNXBMFYSA-N	1	0	369.473	1.219	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CCO1	ZINC000176652001	525160544	/nfs/dbraw/zinc/16/05/44/525160544.db2.gz	VYYIPEFMGHDEAA-GOSISDBHSA-N	1	0	358.442	1.077	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(C#N)c(Cl)c1	ZINC000125200520	525162769	/nfs/dbraw/zinc/16/27/69/525162769.db2.gz	QUOJHVYHYYJIMS-MRXNPFEDSA-N	1	0	362.861	1.884	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)CN2CCNC(=O)[C@H]2c2ccccc2)cc1	ZINC000125346311	525192838	/nfs/dbraw/zinc/19/28/38/525192838.db2.gz	XQYMXTVHZIJGFY-AZUAARDMSA-N	1	0	365.433	1.665	20	30		FDEDRO
CC(C)[C@@H](CCO)[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000162002396	525200368	/nfs/dbraw/zinc/20/03/68/525200368.db2.gz	NPYKJLKXRJMKJR-CVEARBPZSA-N	1	0	364.515	1.454	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(C(=O)c2cc3c(ccc(C)c3C)[nH]2)CC1	ZINC000116752715	525203589	/nfs/dbraw/zinc/20/35/89/525203589.db2.gz	UOFRRFNUFUBWCL-UHFFFAOYSA-N	1	0	366.465	1.682	20	30		FDEDRO
CC(C)[NH+](CCNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)C(C)C	ZINC000162385471	525253163	/nfs/dbraw/zinc/25/31/63/525253163.db2.gz	RYYGXMKDUZWRCQ-INIZCTEOSA-N	1	0	373.505	1.687	20	30		FDEDRO
C[NH+]=C(NCCOc1ccc(F)c(F)c1)N[C@@H]1CCc2ncnn2C1	ZINC000126078857	525272585	/nfs/dbraw/zinc/27/25/85/525272585.db2.gz	QVZUACATNWFEJK-LLVKDONJSA-N	1	0	350.373	1.115	20	30		FDEDRO
CCn1cc(NC(=O)C2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)cn1	ZINC000102398696	525284507	/nfs/dbraw/zinc/28/45/07/525284507.db2.gz	HATREJBYPBGXHS-AWEZNQCLSA-N	1	0	360.462	1.314	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1	ZINC000177490475	525299098	/nfs/dbraw/zinc/29/90/98/525299098.db2.gz	SFQXZXZPUQFBPX-HZPDHXFCSA-N	1	0	365.499	1.754	20	30		FDEDRO
C=C(C)C[N@H+](CC)CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000126552838	525324143	/nfs/dbraw/zinc/32/41/43/525324143.db2.gz	ZPGFAZVGKSLGKM-UHFFFAOYSA-N	1	0	353.488	1.281	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(c3ncnc4ccsc43)CC2)CC1	ZINC000126625001	525334972	/nfs/dbraw/zinc/33/49/72/525334972.db2.gz	IFYMTOKDXOFKPC-UHFFFAOYSA-N	1	0	369.494	1.685	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccc(/C=N/OC)cc2)CC1	ZINC000103449718	525355453	/nfs/dbraw/zinc/35/54/53/525355453.db2.gz	CIVFKRGHAAIKPJ-XSFVSMFZSA-N	1	0	360.458	1.293	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1	ZINC000178045806	525375948	/nfs/dbraw/zinc/37/59/48/525375948.db2.gz	UZUYQUQFQNEFQE-DLBZAZTESA-N	1	0	356.470	1.889	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NC[C@]2(N3CCOCC3)CCSC2)cc1	ZINC000104178561	525397722	/nfs/dbraw/zinc/39/77/22/525397722.db2.gz	UQVMWWZNCSUYJH-QGZVFWFLSA-N	1	0	350.488	1.630	20	30		FDEDRO
O=C(C#Cc1ccc2c(c1)OCO2)N1CC[NH+](CC2CCOCC2)CC1	ZINC000178227857	525399370	/nfs/dbraw/zinc/39/93/70/525399370.db2.gz	IRMQKGXJLNFOBY-UHFFFAOYSA-N	1	0	356.422	1.338	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cccc(C[NH+](C)C)c1	ZINC000163523223	525419799	/nfs/dbraw/zinc/41/97/99/525419799.db2.gz	JFSGUZOCZDLLCG-HNNXBMFYSA-N	1	0	364.453	1.761	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Cn1cnc(C#N)n1	ZINC000178551676	525444431	/nfs/dbraw/zinc/44/44/31/525444431.db2.gz	FVBAHDLJLSAFLK-MRXNPFEDSA-N	1	0	353.430	1.058	20	30		FDEDRO
Cc1ccn(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c(=O)c1C#N	ZINC000163795230	525449292	/nfs/dbraw/zinc/44/92/92/525449292.db2.gz	CWPBUWMHXNWZJM-UHFFFAOYSA-N	1	0	372.469	1.180	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)CC1	ZINC000104932741	525454521	/nfs/dbraw/zinc/45/45/21/525454521.db2.gz	QYVQXXSGOFDVKE-CQSZACIVSA-N	1	0	352.381	1.166	20	30		FDEDRO
CC[C@H]1CN(S(=O)(=O)Cc2cc(C#N)ccc2F)CCN1C[C@@H](C)O	ZINC000163860663	525456678	/nfs/dbraw/zinc/45/66/78/525456678.db2.gz	ZSHLSJBSTWAWRM-CJNGLKHVSA-N	1	0	369.462	1.304	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C	ZINC000105024789	525458652	/nfs/dbraw/zinc/45/86/52/525458652.db2.gz	TVRCIGNUYFMNIJ-QGZVFWFLSA-N	1	0	357.458	1.931	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(CCC#N)Cc2ccco2)CC1=O	ZINC000105328277	525502167	/nfs/dbraw/zinc/50/21/67/525502167.db2.gz	VYNHWQUCXBKYMF-IAGOWNOFSA-N	1	0	372.469	1.855	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CNC(=O)c2ccc(C)c(C)c2)c1C#N	ZINC000128203954	525515254	/nfs/dbraw/zinc/51/52/54/525515254.db2.gz	WKDFJDJFACFWOS-UHFFFAOYSA-N	1	0	368.441	1.419	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)Cc3cc(C#N)ccc3F)CC[C@@H]21	ZINC000164690172	525524804	/nfs/dbraw/zinc/52/48/04/525524804.db2.gz	LWDBTXGVPDUUQQ-YOEHRIQHSA-N	1	0	351.447	1.943	20	30		FDEDRO
C=CCC[C@@H](O)C[NH+]1CCN(CCNC(=O)c2ccc(OC)cc2)CC1	ZINC000128470910	525545924	/nfs/dbraw/zinc/54/59/24/525545924.db2.gz	YFXPQHZQAQRKJY-GOSISDBHSA-N	1	0	361.486	1.370	20	30		FDEDRO
C[NH+]=C(NCCN1CCc2sccc2C1)N1CCO[C@H](COC)C1	ZINC000179263624	525550762	/nfs/dbraw/zinc/55/07/62/525550762.db2.gz	QLZYYMYCGJUIFT-HNNXBMFYSA-N	1	0	352.504	1.029	20	30		FDEDRO
N#Cc1cccn(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1=O	ZINC000118978343	525594191	/nfs/dbraw/zinc/59/41/91/525594191.db2.gz	AIZCTVFDJYVHNH-UHFFFAOYSA-N	1	0	368.462	1.907	20	30		FDEDRO
CC(C)[C@@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1	ZINC000154635293	525595528	/nfs/dbraw/zinc/59/55/28/525595528.db2.gz	LQAPILBMCKRAJF-ATPAHOSSSA-N	1	0	352.460	1.421	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1	ZINC000154663836	525604364	/nfs/dbraw/zinc/60/43/64/525604364.db2.gz	DUYWCOKJFACZCN-QGZVFWFLSA-N	1	0	359.857	1.907	20	30		FDEDRO
CC[NH+](CC)CCN(C(=O)c1cc(C#N)cs1)[C@@H]1CCS(=O)(=O)C1	ZINC000179751855	525623031	/nfs/dbraw/zinc/62/30/31/525623031.db2.gz	DINBKDWJCQTUJW-CQSZACIVSA-N	1	0	369.512	1.591	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)Cn1cnc(C#N)n1	ZINC000179757318	525625538	/nfs/dbraw/zinc/62/55/38/525625538.db2.gz	YOFARINCONDQOR-INIZCTEOSA-N	1	0	368.441	1.368	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@H](Cn4cncn4)C3)C2=O)cc1	ZINC000106173772	525651446	/nfs/dbraw/zinc/65/14/46/525651446.db2.gz	HPNDIWDLRBVLGT-FUHWJXTLSA-N	1	0	350.426	1.667	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(Cc3cc(C)no3)CC2)CC1	ZINC000106276024	525687099	/nfs/dbraw/zinc/68/70/99/525687099.db2.gz	HVDSHYPDQHDSQH-UHFFFAOYSA-N	1	0	361.490	1.851	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000180522340	525715514	/nfs/dbraw/zinc/71/55/14/525715514.db2.gz	BDWMTMAXUZJFCC-AWEZNQCLSA-N	1	0	366.487	1.350	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1	ZINC000180547230	525719585	/nfs/dbraw/zinc/71/95/85/525719585.db2.gz	TXUPQISXPNOEJY-CQSZACIVSA-N	1	0	350.488	1.562	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCCC(=O)N2CCCCCC2)cc1OC	ZINC000170913416	525766926	/nfs/dbraw/zinc/76/69/26/525766926.db2.gz	CTTUEUXBBFULCT-UHFFFAOYSA-N	1	0	362.474	1.901	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)CSCC#N)cc2F)CC1	ZINC000106702628	525773295	/nfs/dbraw/zinc/77/32/95/525773295.db2.gz	FLEBBKMBUBRVIK-UHFFFAOYSA-N	1	0	350.463	1.841	20	30		FDEDRO
N#C[C@@H]1CSCCN1C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1	ZINC000271701738	674372278	/nfs/dbraw/zinc/37/22/78/674372278.db2.gz	HMZNUVMBVMJPKC-GOSISDBHSA-N	1	0	359.495	1.972	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1	ZINC000119698164	525832068	/nfs/dbraw/zinc/83/20/68/525832068.db2.gz	NTLZGPNFAXVCDL-KRWDZBQOSA-N	1	0	350.488	1.721	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1	ZINC000171109988	525851151	/nfs/dbraw/zinc/85/11/51/525851151.db2.gz	VVHZWRGKQJSOBS-UHFFFAOYSA-N	1	0	362.433	1.463	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1	ZINC000181670558	525888448	/nfs/dbraw/zinc/88/84/48/525888448.db2.gz	FLOXALUQSPKWNN-ZIAGYGMSSA-N	1	0	356.426	1.516	20	30		FDEDRO
N#Cc1ccc(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)nc1	ZINC000107470132	525890497	/nfs/dbraw/zinc/89/04/97/525890497.db2.gz	ZDXUXFJMPBAEDU-MRXNPFEDSA-N	1	0	363.421	1.903	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(NC(=O)C2CCOCC2)CC1	ZINC000107686268	525909061	/nfs/dbraw/zinc/90/90/61/525909061.db2.gz	PKMGVKBKXAFFPR-MRXNPFEDSA-N	1	0	363.502	1.583	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CC[N@@H+](CC)C2)cc1	ZINC000107891634	525926583	/nfs/dbraw/zinc/92/65/83/525926583.db2.gz	ZMRCVZAGGZEYOE-CQSZACIVSA-N	1	0	351.472	1.223	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCC(=O)NCC1CCCCC1	ZINC000155645358	525931882	/nfs/dbraw/zinc/93/18/82/525931882.db2.gz	RKFVPSZDAJVYKT-MRXNPFEDSA-N	1	0	370.501	1.945	20	30		FDEDRO
CC[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C(=O)N1CCOCC1	ZINC000181871743	525964530	/nfs/dbraw/zinc/96/45/30/525964530.db2.gz	UOTYRNWKLYUVGL-HXUWFJFHSA-N	1	0	370.497	1.750	20	30		FDEDRO
CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)C1	ZINC000181882365	525968479	/nfs/dbraw/zinc/96/84/79/525968479.db2.gz	XIQZKSAXHNAINB-LSDHHAIUSA-N	1	0	358.442	1.859	20	30		FDEDRO
C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1	ZINC000108589338	525995573	/nfs/dbraw/zinc/99/55/73/525995573.db2.gz	GPGVTDKNPCGMBB-MRXNPFEDSA-N	1	0	359.449	1.871	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1	ZINC000155975498	526022625	/nfs/dbraw/zinc/02/26/25/526022625.db2.gz	MIHATZRZATXRJV-QAPCUYQASA-N	1	0	352.438	1.972	20	30		FDEDRO
Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCO[C@@H](C#N)C2)CC1	ZINC000171574882	526042113	/nfs/dbraw/zinc/04/21/13/526042113.db2.gz	RAXBTCOBSAOIQO-IBGZPJMESA-N	1	0	356.470	1.300	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(-c3nc[nH]n3)c2)c1C#N	ZINC000133359874	526051139	/nfs/dbraw/zinc/05/11/39/526051139.db2.gz	CYGJYTSUYPNAGY-UHFFFAOYSA-N	1	0	350.386	1.471	20	30		FDEDRO
C=CCc1cc(C(=O)NCCN2CC[NH+](CC)CC2)cc(OC)c1OC	ZINC000120460007	526070243	/nfs/dbraw/zinc/07/02/43/526070243.db2.gz	QKGCOQFTXYIPHV-UHFFFAOYSA-N	1	0	361.486	1.800	20	30		FDEDRO
N#CC1(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CCOCC1	ZINC000109139702	526079265	/nfs/dbraw/zinc/07/92/65/526079265.db2.gz	HPROYTRXRONIKX-UHFFFAOYSA-N	1	0	356.470	1.635	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)CC1	ZINC000171726846	526096025	/nfs/dbraw/zinc/09/60/25/526096025.db2.gz	LPRIKNNHINKMSZ-FQEVSTJZSA-N	1	0	368.481	1.982	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCCCc2nnc3n2CCCCC3)CC1	ZINC000171732921	526101313	/nfs/dbraw/zinc/10/13/13/526101313.db2.gz	QUFVKXNDVITGDM-UHFFFAOYSA-N	1	0	360.506	1.887	20	30		FDEDRO
C[C@H](CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12)Cn1cccn1	ZINC000133894759	526103127	/nfs/dbraw/zinc/10/31/27/526103127.db2.gz	TYZZZPHJBXSXFA-CABCVRRESA-N	1	0	362.478	1.400	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](C(=O)NCCCC)C2)CC1	ZINC000171739239	526104543	/nfs/dbraw/zinc/10/45/43/526104543.db2.gz	NULSIBGAISIRGS-MRXNPFEDSA-N	1	0	350.507	1.975	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1	ZINC000134008335	526114610	/nfs/dbraw/zinc/11/46/10/526114610.db2.gz	ZLLCIZFSUKERAA-AWEZNQCLSA-N	1	0	361.417	1.576	20	30		FDEDRO
COCC[N@H+](CCO)CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000156355506	526118865	/nfs/dbraw/zinc/11/88/65/526118865.db2.gz	SMXSJBWAPRONHP-UHFFFAOYSA-N	1	0	351.472	1.768	20	30		FDEDRO
N#Cc1ccc(C[NH+]2CCC(Nc3ccn(CCC(N)=O)n3)CC2)cc1	ZINC000182544652	526202774	/nfs/dbraw/zinc/20/27/74/526202774.db2.gz	SDUDELUZTFTEQH-UHFFFAOYSA-N	1	0	352.442	1.707	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1	ZINC000184373306	536140657	/nfs/dbraw/zinc/14/06/57/536140657.db2.gz	NFJGCQZPMKPGPF-MRXNPFEDSA-N	1	0	374.533	1.488	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)[C@@H]2COc3ccccc32)CC1	ZINC000185610514	536213504	/nfs/dbraw/zinc/21/35/04/536213504.db2.gz	DWJAZTFPYLXKOD-WDSOQIARSA-N	1	0	370.497	1.833	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ncn(C3CCCCC3)n2)CC1	ZINC000185786065	536217643	/nfs/dbraw/zinc/21/76/43/536217643.db2.gz	SPHBDTFDAUFBDJ-UHFFFAOYSA-N	1	0	374.489	1.879	20	30		FDEDRO
Cn1cc(S(=O)(=O)N2CCC([NH2+][C@H]3CCC[C@H](C#N)C3)CC2)cn1	ZINC000185842288	536218950	/nfs/dbraw/zinc/21/89/50/536218950.db2.gz	XZKMYJPIXGCRKK-ZFWWWQNUSA-N	1	0	351.476	1.245	20	30		FDEDRO
C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1	ZINC000186145818	536227193	/nfs/dbraw/zinc/22/71/93/536227193.db2.gz	ZZHBOBYDPUKFES-QGZVFWFLSA-N	1	0	360.477	1.997	20	30		FDEDRO
C=CC[C@@H](CO)[NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000186720033	536242200	/nfs/dbraw/zinc/24/22/00/536242200.db2.gz	MJBQOAUONGIMEV-HOCLYGCPSA-N	1	0	354.472	1.295	20	30		FDEDRO
CCN(CCC[NH+](C)C)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000188916993	536970156	/nfs/dbraw/zinc/97/01/56/536970156.db2.gz	AQSKBOZZLKMAIH-UHFFFAOYSA-N	1	0	351.472	1.273	20	30		FDEDRO
[NH2+]=C(NCc1cn2cc(Cl)ccc2n1)N1CCN(c2ncccn2)CC1	ZINC000263274703	537007078	/nfs/dbraw/zinc/00/70/78/537007078.db2.gz	XYICCOINDZOXFE-UHFFFAOYSA-N	1	0	370.848	1.415	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1	ZINC000268173051	537011461	/nfs/dbraw/zinc/01/14/61/537011461.db2.gz	KFEQIQHKPMBDLV-DYVFJYSZSA-N	1	0	363.483	1.363	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1	ZINC000246861501	537040695	/nfs/dbraw/zinc/04/06/95/537040695.db2.gz	CMULQHYXPDOFOL-WMLDXEAASA-N	1	0	373.428	1.719	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000246939555	537055139	/nfs/dbraw/zinc/05/51/39/537055139.db2.gz	LLIQMJLOPXRABY-ROUUACIJSA-N	1	0	352.438	1.510	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C1	ZINC000247341874	537110958	/nfs/dbraw/zinc/11/09/58/537110958.db2.gz	NOQJXROTULGTHL-CVEARBPZSA-N	1	0	371.489	1.300	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)CN1CC[N@H+](CC(C)(C)O)[C@H](C)C1	ZINC000189898962	537111889	/nfs/dbraw/zinc/11/18/89/537111889.db2.gz	RXYWQFHMHOUFKN-MJGOQNOKSA-N	1	0	362.514	1.932	20	30		FDEDRO
CCOCCC[NH+]=C(NCC(=O)N(C)C)NCc1ccc(OC)cc1	ZINC000263971466	537133588	/nfs/dbraw/zinc/13/35/88/537133588.db2.gz	OBKJPCITCUTVFW-UHFFFAOYSA-N	1	0	350.463	1.245	20	30		FDEDRO
CCNC(NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)=[NH+]CC	ZINC000264106135	537138022	/nfs/dbraw/zinc/13/80/22/537138022.db2.gz	PMNKPHIQNNFMBB-OAHLLOKOSA-N	1	0	368.503	1.219	20	30		FDEDRO
N#Cc1ccc(CN2CCC[N@@H+](C[C@H](O)COC[C@@H]3CCCO3)CC2)cc1	ZINC000247638684	537141393	/nfs/dbraw/zinc/14/13/93/537141393.db2.gz	FTZREEDURQMOAE-SFTDATJTSA-N	1	0	373.497	1.622	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1	ZINC000264648662	537146625	/nfs/dbraw/zinc/14/66/25/537146625.db2.gz	FJFVECHWZVGYOP-KRWDZBQOSA-N	1	0	372.469	1.550	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC1CCC2(CC1)OCCO2	ZINC000190275580	537160373	/nfs/dbraw/zinc/16/03/73/537160373.db2.gz	XWGMODUTZQNMSQ-OAHLLOKOSA-N	1	0	357.458	1.792	20	30		FDEDRO
C[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000190289735	537161706	/nfs/dbraw/zinc/16/17/06/537161706.db2.gz	QHCSEPLTRPMVFW-MSOLQXFVSA-N	1	0	369.469	1.252	20	30		FDEDRO
C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1	ZINC000190292705	537162002	/nfs/dbraw/zinc/16/20/02/537162002.db2.gz	HHVURAMNSCKGCC-OAHLLOKOSA-N	1	0	356.470	1.541	20	30		FDEDRO
C#CCN(CC#C)C(=O)C(=O)Nc1ccccc1OCC[NH+](CC)CC	ZINC000190431224	537172824	/nfs/dbraw/zinc/17/28/24/537172824.db2.gz	KZOMJOAWVDNRQP-UHFFFAOYSA-N	1	0	355.438	1.441	20	30		FDEDRO
CC#CCNC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1	ZINC000190534525	537177613	/nfs/dbraw/zinc/17/76/13/537177613.db2.gz	LHYFHGCPCVWERA-UHFFFAOYSA-N	1	0	360.433	1.434	20	30		FDEDRO
Cn1cc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C#N	ZINC000190781558	537186395	/nfs/dbraw/zinc/18/63/95/537186395.db2.gz	MJJOGXGGVMQZAK-UHFFFAOYSA-N	1	0	358.467	1.971	20	30		FDEDRO
CC(C)C[C@@]1(CO)CCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000191669731	537209884	/nfs/dbraw/zinc/20/98/84/537209884.db2.gz	DIIBRODLYUNEGS-AZUAARDMSA-N	1	0	364.534	1.552	20	30		FDEDRO
C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000248799961	537212984	/nfs/dbraw/zinc/21/29/84/537212984.db2.gz	PZIQKNNGZNPITO-MSOLQXFVSA-N	1	0	369.469	1.300	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1	ZINC000192157170	537221452	/nfs/dbraw/zinc/22/14/52/537221452.db2.gz	WHEYXQHWQQBEBB-QAPCUYQASA-N	1	0	362.861	1.964	20	30		FDEDRO
N#Cc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)nc1	ZINC000192223595	537222421	/nfs/dbraw/zinc/22/24/21/537222421.db2.gz	ZLULXTPWZPAKOQ-SFHVURJKSA-N	1	0	350.422	1.974	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CC[N@@H+]4CCC[C@H]4C3)C2=O)cc1	ZINC000248987172	537223996	/nfs/dbraw/zinc/22/39/96/537223996.db2.gz	GMRVVKRRZOPFGS-ZWKOTPCHSA-N	1	0	367.453	1.149	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)N1C[C@@H](C)OC[C@H]1C)C(C)C	ZINC000249068078	537226666	/nfs/dbraw/zinc/22/66/66/537226666.db2.gz	JTDNUYYXBYNBLM-BRWVUGGUSA-N	1	0	359.536	1.629	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(F)(F)F)cn2)CC1	ZINC000193364527	537245802	/nfs/dbraw/zinc/24/58/02/537245802.db2.gz	UODHCDXBYMOFAU-UHFFFAOYSA-N	1	0	356.348	1.806	20	30		FDEDRO
CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000290137714	537265794	/nfs/dbraw/zinc/26/57/94/537265794.db2.gz	UNGCQPSEQFEYEJ-CYBMUJFWSA-N	1	0	362.478	1.685	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)nc1	ZINC000292982145	537271894	/nfs/dbraw/zinc/27/18/94/537271894.db2.gz	HRNSVJRYHLMWHY-KRWDZBQOSA-N	1	0	363.421	1.845	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@@H](S(C)(=O)=O)C1	ZINC000282242591	537282475	/nfs/dbraw/zinc/28/24/75/537282475.db2.gz	QAYROHQJKKQJNT-UKRRQHHQSA-N	1	0	356.513	1.770	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)cc1	ZINC000298714323	537283232	/nfs/dbraw/zinc/28/32/32/537283232.db2.gz	LTRGZAVTLHJSNE-UHFFFAOYSA-N	1	0	353.386	1.551	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NCCc1ccc(OCC[NH+](C)C)cc1	ZINC000282549139	537328791	/nfs/dbraw/zinc/32/87/91/537328791.db2.gz	DSDMCSDLOUUOBF-OAHLLOKOSA-N	1	0	368.503	1.095	20	30		FDEDRO
COC(CN(CCCO)CC(=O)Nc1ccc(C#N)c(Cl)c1)OC	ZINC000272770930	537332832	/nfs/dbraw/zinc/33/28/32/537332832.db2.gz	UEUSNCXAWZFYDX-UHFFFAOYSA-N	1	0	355.822	1.453	20	30		FDEDRO
CC[N@H+](C)Cc1cccc(CNS(=O)(=O)N(CCC#N)CCOC)c1	ZINC000282835515	537339746	/nfs/dbraw/zinc/33/97/46/537339746.db2.gz	MTONCGBWSZFNDV-UHFFFAOYSA-N	1	0	368.503	1.335	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@H](Oc2ncccc2F)C1	ZINC000278851714	537341251	/nfs/dbraw/zinc/34/12/51/537341251.db2.gz	MBPVFMZCRWKFBJ-OLZOCXBDSA-N	1	0	350.394	1.464	20	30		FDEDRO
Cc1ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cc1S(C)(=O)=O	ZINC000194926706	537352471	/nfs/dbraw/zinc/35/24/71/537352471.db2.gz	SEARDXZUIASYMA-UHFFFAOYSA-N	1	0	351.472	1.706	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NCC[N@H+]2CC=CCC2)ccc1F	ZINC000279956055	537358641	/nfs/dbraw/zinc/35/86/41/537358641.db2.gz	IOFIWGHHLKTUKI-UHFFFAOYSA-N	1	0	367.446	1.282	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC2(c3ccccc3)CC2)CC1	ZINC000283327515	537370173	/nfs/dbraw/zinc/37/01/73/537370173.db2.gz	FLRWCBLZBKVNSO-UHFFFAOYSA-N	1	0	355.482	1.991	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)NCc1cccc(CO)c1)C(C)C	ZINC000284238634	537405075	/nfs/dbraw/zinc/40/50/75/537405075.db2.gz	YMSAHQSKWSEQMI-IBGZPJMESA-N	1	0	373.497	1.610	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(CCC)CCC[NH+](C)C)cc1	ZINC000276350124	537440189	/nfs/dbraw/zinc/44/01/89/537440189.db2.gz	KNWRRMYEHKOHEI-UHFFFAOYSA-N	1	0	367.515	1.955	20	30		FDEDRO
C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccccc1OCC[NH+](CC)CC	ZINC000273384414	537440956	/nfs/dbraw/zinc/44/09/56/537440956.db2.gz	FIKBGVVPYIPMEY-HNNXBMFYSA-N	1	0	363.458	1.399	20	30		FDEDRO
C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1ccn(CCC#N)n1)c1ccc(F)cc1	ZINC000287885586	537447573	/nfs/dbraw/zinc/44/75/73/537447573.db2.gz	OLGDOVWUNPMPKP-OAHLLOKOSA-N	1	0	372.404	1.293	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2cccc(CN3CCCC3=O)c2)CC1	ZINC000299127334	537450693	/nfs/dbraw/zinc/45/06/93/537450693.db2.gz	BYAUJDIEJXBILD-UHFFFAOYSA-N	1	0	353.466	1.770	20	30		FDEDRO
C#CC[C@H](Cc1ccccc1)NC(=O)N(C)CCCN1CC[NH+](C)CC1	ZINC000288068007	537451742	/nfs/dbraw/zinc/45/17/42/537451742.db2.gz	GBIDTYBNNNURQD-HXUWFJFHSA-N	1	0	356.514	1.900	20	30		FDEDRO
C[C@H](C#N)CN(C)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-]	ZINC000271597981	537462490	/nfs/dbraw/zinc/46/24/90/537462490.db2.gz	HWOARRQUMPUTNL-GFCCVEGCSA-N	1	0	369.447	1.031	20	30		FDEDRO
CNC(=O)[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc(C#N)cc1)c1ccccc1	ZINC000271710878	537478573	/nfs/dbraw/zinc/47/85/73/537478573.db2.gz	VULCFESRCOIWQM-KUHUBIRLSA-N	1	0	350.422	1.812	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(-c2csnn2)cc1	ZINC000293487425	537483461	/nfs/dbraw/zinc/48/34/61/537483461.db2.gz	WEBSSGVGJMSXLI-UHFFFAOYSA-N	1	0	357.439	1.215	20	30		FDEDRO
C=CCCCNC(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1	ZINC000288448979	537502235	/nfs/dbraw/zinc/50/22/35/537502235.db2.gz	YXVVVLNFGITCMT-UHFFFAOYSA-N	1	0	359.470	1.342	20	30		FDEDRO
C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1	ZINC000272002873	537517235	/nfs/dbraw/zinc/51/72/35/537517235.db2.gz	KQTPVMZSQOTQGX-UHFFFAOYSA-N	1	0	372.469	1.072	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]([NH3+])CCC(=O)OC)cc1	ZINC000288723623	537539760	/nfs/dbraw/zinc/53/97/60/537539760.db2.gz	KRRMBPQTILLBFK-MRXNPFEDSA-N	1	0	359.426	1.720	20	30		FDEDRO
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCCCCC[NH+]2CCCC2)n1	ZINC000293664571	537555445	/nfs/dbraw/zinc/55/54/45/537555445.db2.gz	JJRVVSMJOSXDLR-UHFFFAOYSA-N	1	0	374.489	1.831	20	30		FDEDRO
COc1cc(C[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)ccc1C#N	ZINC000281574127	537566629	/nfs/dbraw/zinc/56/66/29/537566629.db2.gz	CURDHJMJQLKDCH-AWEZNQCLSA-N	1	0	366.464	1.553	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000293708649	537568596	/nfs/dbraw/zinc/56/85/96/537568596.db2.gz	LSIOWFFKKAGTSU-UKRRQHHQSA-N	1	0	355.442	1.661	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1=O	ZINC000284816532	537575637	/nfs/dbraw/zinc/57/56/37/537575637.db2.gz	POKVEMAGUHGLEZ-WOJBJXKFSA-N	1	0	357.498	1.996	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1	ZINC000304747989	537598757	/nfs/dbraw/zinc/59/87/57/537598757.db2.gz	GWJXZNGLIDLMPV-MCIONIFRSA-N	1	0	352.479	1.667	20	30		FDEDRO
C#C[C@@H]([NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1)C(C)(C)C	ZINC000289954022	537634533	/nfs/dbraw/zinc/63/45/33/537634533.db2.gz	BRMFMNKBEPTHMQ-OAHLLOKOSA-N	1	0	352.504	1.817	20	30		FDEDRO
C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccc(C#N)s1	ZINC000294010800	537640689	/nfs/dbraw/zinc/64/06/89/537640689.db2.gz	UFYDTPIGUCWKTB-UHFFFAOYSA-N	1	0	351.453	1.778	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)C3(S(C)(=O)=O)CC3)cn2)CC1	ZINC000329653691	537641640	/nfs/dbraw/zinc/64/16/40/537641640.db2.gz	DWYHEMYZPHKPBW-UHFFFAOYSA-N	1	0	366.487	1.257	20	30		FDEDRO
Cc1nn(C)c(N2CCOCC2)c1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC000237820443	537641961	/nfs/dbraw/zinc/64/19/61/537641961.db2.gz	IGNQAENPOULALJ-UHFFFAOYSA-N	1	0	355.442	1.757	20	30		FDEDRO
O=C(NC1CCC2(CC1)NC(=O)NC2=O)N1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000329711093	537642647	/nfs/dbraw/zinc/64/26/47/537642647.db2.gz	ODESTDNECNINAA-VNSJNIRKSA-N	1	0	363.462	1.884	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O	ZINC000294050720	537647162	/nfs/dbraw/zinc/64/71/62/537647162.db2.gz	UEPPZEBCSFCMBB-BZSNNMDCSA-N	1	0	373.497	1.424	20	30		FDEDRO
O=C(CN1CC[NH+](C[C@@H]2CCOC2)CC1)NC[C@H]1Cc2ccccc2O1	ZINC000330007118	537649233	/nfs/dbraw/zinc/64/92/33/537649233.db2.gz	FPIJQJGNOFBHEH-FUHWJXTLSA-N	1	0	359.470	1.601	20	30		FDEDRO
CS(=O)(=O)C[C@H]1CCCN(C(=O)NCC2CC[NH+](C3CC3)CC2)C1	ZINC000330358176	537655377	/nfs/dbraw/zinc/65/53/77/537655377.db2.gz	UMBLSXUTVUVVLK-HNNXBMFYSA-N	1	0	357.520	1.531	20	30		FDEDRO
C=C[C@H](CO)NC(=O)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1	ZINC000290113231	537672722	/nfs/dbraw/zinc/67/27/22/537672722.db2.gz	RLXOBQBWFDXYRC-QGZVFWFLSA-N	1	0	359.470	1.563	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H]3CC[C@@H](CO)O3)CC2)cc1	ZINC000294355413	537687326	/nfs/dbraw/zinc/68/73/26/537687326.db2.gz	UWFIBKQOJNJRGI-MOPGFXCFSA-N	1	0	372.469	1.315	20	30		FDEDRO
CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1	ZINC000285427469	537709712	/nfs/dbraw/zinc/70/97/12/537709712.db2.gz	XKXZWEABVXQUGQ-OAHLLOKOSA-N	1	0	356.470	1.972	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N	ZINC000296007784	537714174	/nfs/dbraw/zinc/71/41/74/537714174.db2.gz	JZOOVSFSZFIQNS-UHFFFAOYSA-N	1	0	360.483	1.927	20	30		FDEDRO
C[NH+]1CCN(CCNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1	ZINC000285531313	537727385	/nfs/dbraw/zinc/72/73/85/537727385.db2.gz	RJOFLMXKDZSNJJ-UHFFFAOYSA-N	1	0	373.476	1.277	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(CCOc2cccc(C#N)c2)CC1	ZINC000285577433	537732360	/nfs/dbraw/zinc/73/23/60/537732360.db2.gz	UVHDXFCJRSYSMO-UHFFFAOYSA-N	1	0	361.486	1.996	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NCCC[C@@H]2CCC[NH2+]2)C[C@@]12C(=O)Nc1ccccc12	ZINC000418761431	537763426	/nfs/dbraw/zinc/76/34/26/537763426.db2.gz	FZGHUFXNKMGKSL-QEEYODRMSA-N	1	0	367.453	1.574	20	30		FDEDRO
Cc1oc(NC(=O)CN2CCC[N@@H+](C3CCOCC3)CC2)c(C#N)c1C	ZINC000366480252	537768349	/nfs/dbraw/zinc/76/83/49/537768349.db2.gz	GTJSBXVUHGAJJX-UHFFFAOYSA-N	1	0	360.458	1.893	20	30		FDEDRO
C=C(C)COCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1	ZINC000414379142	537793613	/nfs/dbraw/zinc/79/36/13/537793613.db2.gz	MCRYEIYYIVLMDQ-UHFFFAOYSA-N	1	0	363.277	1.779	20	30		FDEDRO
C=CC[N@@H+](C)CCN(CC)CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1	ZINC000411643058	537812433	/nfs/dbraw/zinc/81/24/33/537812433.db2.gz	OHLWFJZIMPBXQE-UHFFFAOYSA-N	1	0	368.503	1.021	20	30		FDEDRO
C[NH+](C)[C@]1(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CCCSC1	ZINC000371341930	537820305	/nfs/dbraw/zinc/82/03/05/537820305.db2.gz	SLLARJBPYCBELZ-GOSISDBHSA-N	1	0	359.499	1.429	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1F	ZINC000418884352	537824049	/nfs/dbraw/zinc/82/40/49/537824049.db2.gz	FMIIBLPODJYCFX-FUHWJXTLSA-N	1	0	366.396	1.267	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000366701298	537825074	/nfs/dbraw/zinc/82/50/74/537825074.db2.gz	NJGCBGUNEPRUSM-RYRKJORJSA-N	1	0	351.491	1.768	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1	ZINC000418912489	537842523	/nfs/dbraw/zinc/84/25/23/537842523.db2.gz	DEMWZXHPIYTARR-HNNXBMFYSA-N	1	0	374.510	1.495	20	30		FDEDRO
CC(C)[C@H](CNC(=O)[C@@H](C)n1cnc(C#N)n1)[N@@H+]1CCc2ccccc2C1	ZINC000409581345	537864767	/nfs/dbraw/zinc/86/47/67/537864767.db2.gz	SJWGUUDTHMMPJW-QAPCUYQASA-N	1	0	366.469	1.910	20	30		FDEDRO
COCC(COC)[NH+]1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000411864644	537881931	/nfs/dbraw/zinc/88/19/31/537881931.db2.gz	SJFMNPHHMUOERU-UHFFFAOYSA-N	1	0	360.458	1.166	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1	ZINC000414712665	537893981	/nfs/dbraw/zinc/89/39/81/537893981.db2.gz	SZSNGMGFEGPQTQ-UHFFFAOYSA-N	1	0	372.469	1.110	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H](OC)C[C@H]1C[NH3+]	ZINC000419058892	537916357	/nfs/dbraw/zinc/91/63/57/537916357.db2.gz	QRBBFMYENCIKGR-SQNIBIBYSA-N	1	0	359.470	1.255	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NCC1([NH+]2CCSCC2)CCCCC1	ZINC000367130117	537946927	/nfs/dbraw/zinc/94/69/27/537946927.db2.gz	DFLAINPIPMOWTI-OAHLLOKOSA-N	1	0	374.576	1.664	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000367135160	537948940	/nfs/dbraw/zinc/94/89/40/537948940.db2.gz	IACDEHHJWQTUJY-WBVHZDCISA-N	1	0	350.488	1.434	20	30		FDEDRO
N#CCNC(=O)CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1	ZINC000377030679	537952762	/nfs/dbraw/zinc/95/27/62/537952762.db2.gz	MDAQAUHCZDGKJN-QZTJIDSGSA-N	1	0	369.469	1.322	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)NCC[N@@H+]3CCCOCC3)n2)c(F)c1	ZINC000372462099	537957853	/nfs/dbraw/zinc/95/78/53/537957853.db2.gz	GDJCOVPPMPUDNN-UHFFFAOYSA-N	1	0	372.404	1.727	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1	ZINC000419157620	537964275	/nfs/dbraw/zinc/96/42/75/537964275.db2.gz	VJVSOXHMSAOGJF-UAGQMJEPSA-N	1	0	351.491	1.592	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)NCC(C)(C)CCC#N)CC1	ZINC000367891339	537971035	/nfs/dbraw/zinc/97/10/35/537971035.db2.gz	XHZDNVLGBWAMQR-UHFFFAOYSA-N	1	0	358.490	1.963	20	30		FDEDRO
N#Cc1cccc(-c2csc(NC(=O)C(=O)N3CCC[NH2+]CC3)n2)c1	ZINC000415304763	537996692	/nfs/dbraw/zinc/99/66/92/537996692.db2.gz	GGPLRZZICAJRRC-UHFFFAOYSA-N	1	0	355.423	1.442	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1	ZINC000369194850	538002736	/nfs/dbraw/zinc/00/27/36/538002736.db2.gz	GUEQEUYUEMGNNR-INIZCTEOSA-N	1	0	371.485	1.314	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)cc1	ZINC000415349739	538021049	/nfs/dbraw/zinc/02/10/49/538021049.db2.gz	XVJSEQUCBSYYSO-OAHLLOKOSA-N	1	0	370.453	1.260	20	30		FDEDRO
C=CCn1c(-c2ncccn2)nnc1N1CCC(C[NH+]2CCOCC2)CC1	ZINC000417452605	538040090	/nfs/dbraw/zinc/04/00/90/538040090.db2.gz	DPSANRNTYCNGGW-UHFFFAOYSA-N	1	0	369.473	1.470	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)cc1	ZINC000415450019	538052922	/nfs/dbraw/zinc/05/29/22/538052922.db2.gz	WCKVGAHQJZSXSS-QGZVFWFLSA-N	1	0	372.469	1.539	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)NC[C@H]3CCC[NH2+]C3)C2)c(F)c1	ZINC000417579899	538055263	/nfs/dbraw/zinc/05/52/63/538055263.db2.gz	QEORUUBGVFGMFY-JKSUJKDBSA-N	1	0	359.449	1.965	20	30		FDEDRO
COC(=O)[C@@H]1CN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1(C)C	ZINC000378005914	538056253	/nfs/dbraw/zinc/05/62/53/538056253.db2.gz	ZVJCUHHPBSQFJT-HNNXBMFYSA-N	1	0	350.440	1.463	20	30		FDEDRO
CC#CCN(C)C(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1	ZINC000413843827	538081815	/nfs/dbraw/zinc/08/18/15/538081815.db2.gz	KHFLCBKCFWGHPK-UHFFFAOYSA-N	1	0	356.470	1.549	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)c1	ZINC000415873297	538091220	/nfs/dbraw/zinc/09/12/20/538091220.db2.gz	UPABGCLDSMPDBZ-GJZGRUSLSA-N	1	0	356.426	1.376	20	30		FDEDRO
CC[C@@H](C)n1[nH]c(=NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc1C	ZINC000438765033	538132726	/nfs/dbraw/zinc/13/27/26/538132726.db2.gz	QXJMCOUDOJGXAY-CQSZACIVSA-N	1	0	362.478	1.795	20	30		FDEDRO
C[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)[C@H]1C[NH3+]	ZINC000423738476	538153054	/nfs/dbraw/zinc/15/30/54/538153054.db2.gz	QSNVYJUWVDYCPM-JLSDUUJJSA-N	1	0	370.453	1.044	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+]	ZINC000420018806	538189840	/nfs/dbraw/zinc/18/98/40/538189840.db2.gz	QIYISWMYBCKGKB-ROUUACIJSA-N	1	0	356.470	1.929	20	30		FDEDRO
CCn1c(N)c(C(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)c(=O)[nH]c1=O	ZINC000433031574	538197160	/nfs/dbraw/zinc/19/71/60/538197160.db2.gz	ZMIJQWMWPUNDCE-AWEZNQCLSA-N	1	0	369.425	1.758	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2Cc3cccc(OC)c3C2)CC1	ZINC000422291832	538214638	/nfs/dbraw/zinc/21/46/38/538214638.db2.gz	FLVJTEUTXPQBGD-KRWDZBQOSA-N	1	0	371.481	1.435	20	30		FDEDRO
C[C@H](CO)[N@@H+]1CCCN(C(=O)c2ccc(Br)cc2C#N)CC1	ZINC000451280188	538221465	/nfs/dbraw/zinc/22/14/65/538221465.db2.gz	ZEKDFMUOJGLZQX-GFCCVEGCSA-N	1	0	366.259	1.849	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1	ZINC000424055216	538225818	/nfs/dbraw/zinc/22/58/18/538225818.db2.gz	QZQWHRFUNNJWLV-FMKPAKJESA-N	1	0	365.499	1.596	20	30		FDEDRO
COc1cc(C(=O)N2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)ccc1C	ZINC000424091316	538231371	/nfs/dbraw/zinc/23/13/71/538231371.db2.gz	MLNHBYIGANWLDM-MRXNPFEDSA-N	1	0	358.442	1.309	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NCC(=O)Nc1ccc(Br)cc1	ZINC000424092675	538233551	/nfs/dbraw/zinc/23/35/51/538233551.db2.gz	PJCBGSPLANEXFI-GFCCVEGCSA-N	1	0	353.220	1.525	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NC[C@H](O)COc1ccccc1Br	ZINC000424123430	538241059	/nfs/dbraw/zinc/24/10/59/538241059.db2.gz	KKWKIGLPJIIKMH-WCQYABFASA-N	1	0	370.247	1.326	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NCc1ccc(C(=O)Nc2cccnc2)cc1	ZINC000424148091	538245991	/nfs/dbraw/zinc/24/59/91/538245991.db2.gz	TVFILGNOEAPMME-KRWDZBQOSA-N	1	0	351.410	1.971	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1	ZINC000420201448	538254484	/nfs/dbraw/zinc/25/44/84/538254484.db2.gz	FHQHNBAYZWDLNT-OKZBNKHCSA-N	1	0	371.481	1.714	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H]1CCCC[C@H]1[NH3+]	ZINC000424363042	538285786	/nfs/dbraw/zinc/28/57/86/538285786.db2.gz	NOKLWKJLBKCHIF-VXGBXAGGSA-N	1	0	358.261	1.869	20	30		FDEDRO
C[C@@H]1[C@H](C)[NH2+]CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000420427856	538293256	/nfs/dbraw/zinc/29/32/56/538293256.db2.gz	KTIHCYRSWOZSJL-VHSXEESVSA-N	1	0	358.261	1.692	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NCc1ccccc1CN1CCCC1=O	ZINC000451670468	538294646	/nfs/dbraw/zinc/29/46/46/538294646.db2.gz	CVNDGRQEWVVFQY-MOPGFXCFSA-N	1	0	371.481	1.748	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N(CC)C[C@H]1COc2ccccc2O1	ZINC000451680722	538302066	/nfs/dbraw/zinc/30/20/66/538302066.db2.gz	MPGWSPLNDPAMDA-BBWFWOEESA-N	1	0	360.454	1.998	20	30		FDEDRO
N#Cc1ccc(CN2CCCN(C(=O)C(=O)NC[C@H]3CC34CC4)CC2)cc1	ZINC000422569621	538304664	/nfs/dbraw/zinc/30/46/64/538304664.db2.gz	GLVRILJWJQRECA-GOSISDBHSA-N	1	0	366.465	1.509	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1	ZINC000451926940	538338148	/nfs/dbraw/zinc/33/81/48/538338148.db2.gz	MTHZAKZNMJLYBK-IAGOWNOFSA-N	1	0	364.515	1.919	20	30		FDEDRO
C[C@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000447256166	538362199	/nfs/dbraw/zinc/36/21/99/538362199.db2.gz	KFMOKYSGUWHCBY-ONGXEEELSA-N	1	0	358.261	1.679	20	30		FDEDRO
CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC)C1	ZINC000442707888	538369399	/nfs/dbraw/zinc/36/93/99/538369399.db2.gz	XPOXCXIDZBOAKC-HNNXBMFYSA-N	1	0	358.442	1.696	20	30		FDEDRO
CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H]2CC[C@H](C#N)C2)c1	ZINC000442863266	538380923	/nfs/dbraw/zinc/38/09/23/538380923.db2.gz	XCGFTGQUCNBQQY-OBJOEFQTSA-N	1	0	350.444	1.204	20	30		FDEDRO
CN(C(=O)C[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1)C1(C#N)CCCCC1	ZINC000426113818	538419391	/nfs/dbraw/zinc/41/93/91/538419391.db2.gz	NZUYMCBUSXZORK-ZDUSSCGKSA-N	1	0	374.407	1.672	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C	ZINC000453954700	538480606	/nfs/dbraw/zinc/48/06/06/538480606.db2.gz	RTFCLMJEEAGLLQ-OIISXLGYSA-N	1	0	373.453	1.860	20	30		FDEDRO
Cc1cc(C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)ncc1C#N	ZINC000457672326	538506919	/nfs/dbraw/zinc/50/69/19/538506919.db2.gz	BYFJWZYJGRTJTB-ROUUACIJSA-N	1	0	350.422	1.627	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1	ZINC000471649493	538531501	/nfs/dbraw/zinc/53/15/01/538531501.db2.gz	PQRJFFXCVZPARW-RTBURBONSA-N	1	0	354.454	1.714	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](NC(=O)NC)C2)c(OC)c1	ZINC000466925918	538575498	/nfs/dbraw/zinc/57/54/98/538575498.db2.gz	QAPWCMBYCQTOJY-HOTGVXAUSA-N	1	0	363.458	1.167	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1cn[nH]c1	ZINC000494687645	538578477	/nfs/dbraw/zinc/57/84/77/538578477.db2.gz	FXABJRNQIFHPAH-ZFWWWQNUSA-N	1	0	358.471	1.531	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1	ZINC000462363352	538617819	/nfs/dbraw/zinc/61/78/19/538617819.db2.gz	YIFVZOMJIXFDBY-RHSMWYFYSA-N	1	0	365.499	1.563	20	30		FDEDRO
CN(CCC[NH+]1CCCC1)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000467663698	538673359	/nfs/dbraw/zinc/67/33/59/538673359.db2.gz	KNMIPCMNBFKNAY-UHFFFAOYSA-N	1	0	352.442	1.884	20	30		FDEDRO
C[NH+]1CCN(c2cccc(C(=O)N(CCC#N)Cc3ccco3)n2)CC1	ZINC000502080806	538714107	/nfs/dbraw/zinc/71/41/07/538714107.db2.gz	RHUXHBGJNRWQRL-UHFFFAOYSA-N	1	0	353.426	1.982	20	30		FDEDRO
COc1cccc([C@@H](CNC(=O)c2cnn(C)c2C#N)[NH+]2CCCC2)c1	ZINC000474215355	538828089	/nfs/dbraw/zinc/82/80/89/538828089.db2.gz	UUZRDZPFORVOLL-GOSISDBHSA-N	1	0	353.426	1.867	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(C(=O)Cc2cccc(C#N)c2)CC1	ZINC000560768828	545599357	/nfs/dbraw/zinc/59/93/57/545599357.db2.gz	OTANTWUGEQOTJF-UHFFFAOYSA-N	1	0	359.470	1.687	20	30		FDEDRO
N#Cc1ccc(CNC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)cc1F	ZINC000561053005	545666646	/nfs/dbraw/zinc/66/66/46/545666646.db2.gz	LLZDDNNPYVJGBH-UHFFFAOYSA-N	1	0	355.377	1.219	20	30		FDEDRO
C=CCc1cc(CNC(=O)N2CCOC3(C[NH2+]C3)C2)cc(OC)c1OC	ZINC000561151679	545714080	/nfs/dbraw/zinc/71/40/80/545714080.db2.gz	OWVRSNNDJAGRMM-UHFFFAOYSA-N	1	0	361.442	1.316	20	30		FDEDRO
N#Cc1cnn2c1NC[C@H](C[NH2+]CCc1cc(F)cc3c1OCOC3)C2	ZINC000561219719	545753811	/nfs/dbraw/zinc/75/38/11/545753811.db2.gz	HHQNRWGKQBFETJ-LBPRGKRZSA-N	1	0	357.389	1.634	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC(OCCC(C)C)CC2)CC1	ZINC000561414587	545838211	/nfs/dbraw/zinc/83/82/11/545838211.db2.gz	JHDLOIOUOGBLJR-UHFFFAOYSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](Nc3ccccc3)C2)CC1	ZINC000561453274	545857656	/nfs/dbraw/zinc/85/76/56/545857656.db2.gz	FKVNEKDZQVQWIO-LJQANCHMSA-N	1	0	370.497	1.856	20	30		FDEDRO
C=CC[C@H]1N(C(=O)C(=O)N[C@H]2CC[N@@H+](CCOC)C2)CCCC1(C)C	ZINC000561452277	545857991	/nfs/dbraw/zinc/85/79/91/545857991.db2.gz	QRMWHFGUEFAWFK-JKSUJKDBSA-N	1	0	351.491	1.417	20	30		FDEDRO
N#Cc1csc(CN[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)n1	ZINC000562078669	546027968	/nfs/dbraw/zinc/02/79/68/546027968.db2.gz	RMPOEIKTCNASEF-INIZCTEOSA-N	1	0	356.451	1.574	20	30		FDEDRO
CSC1(CNC(=O)C(=O)N2CCc3ccc(C#N)cc32)CC[NH+](C)CC1	ZINC000562149784	546040263	/nfs/dbraw/zinc/04/02/63/546040263.db2.gz	GKTAONPMDGCEDX-UHFFFAOYSA-N	1	0	372.494	1.391	20	30		FDEDRO
CCNC(=O)c1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cc1	ZINC000562312939	546089361	/nfs/dbraw/zinc/08/93/61/546089361.db2.gz	KSVKKJFCVPQSEU-UHFFFAOYSA-N	1	0	371.462	1.871	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1	ZINC000562336423	546098403	/nfs/dbraw/zinc/09/84/03/546098403.db2.gz	NKJKRBLRTXXCLW-GOSISDBHSA-N	1	0	368.485	1.802	20	30		FDEDRO
C[C@H](COc1cccc(F)c1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000562987911	546343170	/nfs/dbraw/zinc/34/31/70/546343170.db2.gz	UVUYPECFLDJDKT-CYBMUJFWSA-N	1	0	363.414	1.923	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1	ZINC000563003603	546350602	/nfs/dbraw/zinc/35/06/02/546350602.db2.gz	VNXGPHXUQYCKLG-VQTJNVASSA-N	1	0	360.502	1.073	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1F	ZINC000563605755	546610582	/nfs/dbraw/zinc/61/05/82/546610582.db2.gz	DJENFFKHEPNIPN-INIZCTEOSA-N	1	0	373.432	1.051	20	30		FDEDRO
Cc1cc(C[NH2+]C[C@H]2CCCCN2S(=O)(=O)N(C)C)ccc1C#N	ZINC000564135882	546819580	/nfs/dbraw/zinc/81/95/80/546819580.db2.gz	YLPBPGCWTWNKSZ-QGZVFWFLSA-N	1	0	350.488	1.617	20	30		FDEDRO
C[C@H]1CCC[C@](CNC(=O)C(=O)NCc2ccc(CC#N)cc2)([NH+](C)C)C1	ZINC000564450768	546917998	/nfs/dbraw/zinc/91/79/98/546917998.db2.gz	YWOFRYFUFFSBSZ-KKSFZXQISA-N	1	0	370.497	1.996	20	30		FDEDRO
N#Cc1csc(C[NH2+]C[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)n1	ZINC000564688981	547002663	/nfs/dbraw/zinc/00/26/63/547002663.db2.gz	KYLGYCSFWBAVFB-IRXDYDNUSA-N	1	0	367.478	1.703	20	30		FDEDRO
Cc1cc(N2CCC([NH2+]CCS(=O)(=O)c3ccc(C#N)cc3)CC2)n[nH]1	ZINC000564873807	547077655	/nfs/dbraw/zinc/07/76/55/547077655.db2.gz	SDSXKDLBZJAWND-UHFFFAOYSA-N	1	0	373.482	1.622	20	30		FDEDRO
N#CCCn1cc(C[NH2+]CCCN2CCNC(=O)C2)c(-c2ccccc2)n1	ZINC000565219760	547260648	/nfs/dbraw/zinc/26/06/48/547260648.db2.gz	ZOYKHXOHTRYHOD-UHFFFAOYSA-N	1	0	366.469	1.375	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCOC[C@@H]2CCCO2)cc1	ZINC000565397438	547332791	/nfs/dbraw/zinc/33/27/91/547332791.db2.gz	AFKYYBAPSFBQCM-INIZCTEOSA-N	1	0	352.456	1.507	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+]CC(=O)N2CCCCC2)c(OC)c1	ZINC000565887577	547520775	/nfs/dbraw/zinc/52/07/75/547520775.db2.gz	WIKULVAKUZCBAL-KRWDZBQOSA-N	1	0	362.470	1.766	20	30		FDEDRO
C[C@@H]1CN(Cc2ccc(C(=O)N[C@](C)(C#N)CN(C)C)cc2)C[C@@H](C)O1	ZINC000565954290	547546077	/nfs/dbraw/zinc/54/60/77/547546077.db2.gz	LLDKBOZJAXOIND-JXXFODFXSA-N	1	0	358.486	1.869	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCC[C@@](C)(OC)C1)C(C)C	ZINC000566000498	547561606	/nfs/dbraw/zinc/56/16/06/547561606.db2.gz	FRQBAFSQVUSDIR-FXAWDEMLSA-N	1	0	365.518	1.829	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)cc1	ZINC000566106767	547606387	/nfs/dbraw/zinc/60/63/87/547606387.db2.gz	ZHQMRRLTJOWYQN-HOTGVXAUSA-N	1	0	371.403	1.966	20	30		FDEDRO
N#Cc1cnn2c1NC[C@H](C[N@@H+]1CCC[C@@H](c3noc(C4CC4)n3)C1)C2	ZINC000566245864	547680980	/nfs/dbraw/zinc/68/09/80/547680980.db2.gz	WSHXAENCIULAFH-TZMCWYRMSA-N	1	0	353.430	1.936	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]CCOc1ccc(Br)cc1	ZINC000567681574	548210211	/nfs/dbraw/zinc/21/02/11/548210211.db2.gz	VYPQKERFHGWDTO-CQSZACIVSA-N	1	0	356.264	1.624	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2=O)cc1	ZINC000567694133	548217407	/nfs/dbraw/zinc/21/74/07/548217407.db2.gz	JKLZEHPSLZBJRV-IEBWSBKVSA-N	1	0	369.396	1.832	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCC(CCC#N)CC2)CC1=O	ZINC000567738363	548237527	/nfs/dbraw/zinc/23/75/27/548237527.db2.gz	JNVDCBOSELUWCW-MSOLQXFVSA-N	1	0	360.502	1.862	20	30		FDEDRO
CSC1(CNS(=O)(=O)Cc2ccc(CC#N)cc2)CC[NH+](C)CC1	ZINC000568388586	548517204	/nfs/dbraw/zinc/51/72/04/548517204.db2.gz	HPULNQIXYKYREE-UHFFFAOYSA-N	1	0	367.540	1.999	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1	ZINC000568414111	548529426	/nfs/dbraw/zinc/52/94/26/548529426.db2.gz	AWEBBPQLWMCGNT-YJBOKZPZSA-N	1	0	366.506	1.257	20	30		FDEDRO
CC[NH+](CC)C[C@H](C)NC(=O)N1CCN(c2snc(C)c2C#N)CC1	ZINC000568692048	548640034	/nfs/dbraw/zinc/64/00/34/548640034.db2.gz	RJMJCNKOCUHCIH-ZDUSSCGKSA-N	1	0	364.519	1.885	20	30		FDEDRO
C=CCn1c(C(=O)NC(C)C)nnc1N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1	ZINC000568834599	548696140	/nfs/dbraw/zinc/69/61/40/548696140.db2.gz	MIFLWSIHFMLZCG-HRCADAONSA-N	1	0	360.506	1.769	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3cnccc3C#N)CC2)C1	ZINC000569064619	548782031	/nfs/dbraw/zinc/78/20/31/548782031.db2.gz	DLCIDKCCEUYMAQ-QGZVFWFLSA-N	1	0	370.501	1.763	20	30		FDEDRO
CN(C)c1ncc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1C	ZINC000569204960	548832962	/nfs/dbraw/zinc/83/29/62/548832962.db2.gz	APPOWODYVYLVGD-KRWDZBQOSA-N	1	0	352.442	1.248	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC000569258675	548854043	/nfs/dbraw/zinc/85/40/43/548854043.db2.gz	JEDVCZJNQXAGOP-IRXDYDNUSA-N	1	0	351.491	1.343	20	30		FDEDRO
Cc1ccsc1[C@H](CO)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000569286281	548862279	/nfs/dbraw/zinc/86/22/79/548862279.db2.gz	RWWNGSZCIMOZIK-ZDUSSCGKSA-N	1	0	351.453	1.420	20	30		FDEDRO
CN1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[C@@H](C[NH3+])C1	ZINC000569673633	549004117	/nfs/dbraw/zinc/00/41/17/549004117.db2.gz	KMRMZDGEIOGBAO-HNNXBMFYSA-N	1	0	370.482	1.712	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+][C@@H](Cc3ccccc3)C(=O)N3CCCC3)cnc12	ZINC000570298893	549230649	/nfs/dbraw/zinc/23/06/49/549230649.db2.gz	BNTITBJQEBHHEX-IBGZPJMESA-N	1	0	374.448	1.924	20	30		FDEDRO
C[C@@H](C#N)CSc1ccccc1NC(=O)NCC(=O)N1CC[NH2+]CC1	ZINC000570303610	549232660	/nfs/dbraw/zinc/23/26/60/549232660.db2.gz	JNTPZBGGVMCEIV-ZDUSSCGKSA-N	1	0	361.471	1.492	20	30		FDEDRO
N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1	ZINC000570464088	549289629	/nfs/dbraw/zinc/28/96/29/549289629.db2.gz	LAHBWUYMXFOALK-MFKMUULPSA-N	1	0	359.792	1.647	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1	ZINC000570803088	549417523	/nfs/dbraw/zinc/41/75/23/549417523.db2.gz	DXRHNXINEHGOQW-OALUTQOASA-N	1	0	361.486	1.313	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@H]3CC[N@@H+](C4CC4)C3)C2=O)cc1	ZINC000571069569	549515244	/nfs/dbraw/zinc/51/52/44/549515244.db2.gz	BKNWUHZNNSQKDV-WMZOPIPTSA-N	1	0	367.453	1.195	20	30		FDEDRO
CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1	ZINC000571087714	549522092	/nfs/dbraw/zinc/52/20/92/549522092.db2.gz	FDWUPDRXPVOKPE-HOTGVXAUSA-N	1	0	351.414	1.827	20	30		FDEDRO
CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCC(=O)NCC#N)C1	ZINC000571547171	549686567	/nfs/dbraw/zinc/68/65/67/549686567.db2.gz	BUGNBYRHRWRIDM-UHFFFAOYSA-N	1	0	367.453	1.164	20	30		FDEDRO
C[C@@H](C(=O)NCc1ccccc1F)N1CCN(c2cnccc2C#N)CC1	ZINC000571595398	549702127	/nfs/dbraw/zinc/70/21/27/549702127.db2.gz	SRFQTGUUVCFEEZ-HNNXBMFYSA-N	1	0	367.428	1.919	20	30		FDEDRO
C=CCC1(C(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)CCOCC1	ZINC000571801019	549768162	/nfs/dbraw/zinc/76/81/62/549768162.db2.gz	PAXWQTCBDWJULN-UHFFFAOYSA-N	1	0	367.471	1.235	20	30		FDEDRO
Cc1csc(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1C#N	ZINC000571892767	549794225	/nfs/dbraw/zinc/79/42/25/549794225.db2.gz	LDMCVYIXGCONMB-UHFFFAOYSA-N	1	0	361.471	1.700	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccncc1OCC[NH+](C)C	ZINC000572277081	549881394	/nfs/dbraw/zinc/88/13/94/549881394.db2.gz	DMEGBMQHUNYOEI-WMZOPIPTSA-N	1	0	362.474	1.802	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1	ZINC000572354857	549896050	/nfs/dbraw/zinc/89/60/50/549896050.db2.gz	KGOCHFRVOVVSMJ-HNNXBMFYSA-N	1	0	360.414	1.307	20	30		FDEDRO
C[C@H](NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCC[NH2+]C1	ZINC000572499263	549929125	/nfs/dbraw/zinc/92/91/25/549929125.db2.gz	LHWZQUIAAYFGLI-LESCRADOSA-N	1	0	369.469	1.741	20	30		FDEDRO
CC(C)OC(=O)CC[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000572595695	549950495	/nfs/dbraw/zinc/95/04/95/549950495.db2.gz	WFILZEMRPRBNQC-CYBMUJFWSA-N	1	0	353.444	1.437	20	30		FDEDRO
CN1CCN(S(=O)(=O)c2ccccc2C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1	ZINC000572804350	549997964	/nfs/dbraw/zinc/99/79/64/549997964.db2.gz	UJZSTYCOMXYFAY-DOTOQJQBSA-N	1	0	362.499	1.405	20	30		FDEDRO
C/C=C\c1ccc(OC[C@@H](O)C[NH2+]CCn2cnc(C#N)n2)c(OC)c1	ZINC000573199772	550084988	/nfs/dbraw/zinc/08/49/88/550084988.db2.gz	FBOZVAKOVMBZAM-JZIMQPMSSA-N	1	0	357.414	1.221	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)cc1	ZINC000573206976	550087311	/nfs/dbraw/zinc/08/73/11/550087311.db2.gz	XIWRUZJCPFFSDB-RBUKOAKNSA-N	1	0	368.481	1.750	20	30		FDEDRO
N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1	ZINC000573339098	550115776	/nfs/dbraw/zinc/11/57/76/550115776.db2.gz	DJDXRILVXJTAFN-RISCZKNCSA-N	1	0	373.363	1.456	20	30		FDEDRO
CN1CCN(C(=O)CC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1	ZINC000573370014	550122023	/nfs/dbraw/zinc/12/20/23/550122023.db2.gz	RAXJKTKYVLDUGK-UHFFFAOYSA-N	1	0	354.376	1.831	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@H](O)Cc2cccc(F)c2)cc1	ZINC000573564840	550165795	/nfs/dbraw/zinc/16/57/95/550165795.db2.gz	KVSMROOLHMKJSL-RTBURBONSA-N	1	0	358.413	1.825	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)c(OC)c1	ZINC000573595988	550173328	/nfs/dbraw/zinc/17/33/28/550173328.db2.gz	JPIHXSXTHOJCRP-KSZLIROESA-N	1	0	374.481	1.906	20	30		FDEDRO
CC[NH+](CC)CCOC1CCN(S(=O)(=O)CC2(C#N)CCC2)CC1	ZINC000573763500	550206530	/nfs/dbraw/zinc/20/65/30/550206530.db2.gz	ICOFLIWCFXRBJN-UHFFFAOYSA-N	1	0	357.520	1.833	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)cc1	ZINC000573956537	550237919	/nfs/dbraw/zinc/23/79/19/550237919.db2.gz	AEARXZWCGACXKQ-ROUUACIJSA-N	1	0	372.469	1.568	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNS(=O)(=O)Cc2ccc(C#N)cc2)CC1	ZINC000574978989	550402775	/nfs/dbraw/zinc/40/27/75/550402775.db2.gz	PWICYHDLPAMTHN-UHFFFAOYSA-N	1	0	365.499	1.867	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCCN(C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)[C@@H]2C1	ZINC000575271050	550450269	/nfs/dbraw/zinc/45/02/69/550450269.db2.gz	IXCODKHOCBDWIT-WMLDXEAASA-N	1	0	368.416	2.441	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1	ZINC000576288091	550532467	/nfs/dbraw/zinc/53/24/67/550532467.db2.gz	ABEFOOIIPIISRV-UZLBHIALSA-N	1	0	373.453	1.691	20	30		FDEDRO
N#Cc1cccc([N+](=O)[O-])c1CN1C(=O)N[C@]2(CCCC[C@@H]2C[NH3+])C1=O	ZINC000576515818	550557800	/nfs/dbraw/zinc/55/78/00/550557800.db2.gz	WKLBWCMKUHLOPR-PXAZEXFGSA-N	1	0	357.370	1.406	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)C3(c4cccc(C#N)c4)CC3)CC2)C1=O	ZINC000576698508	550576560	/nfs/dbraw/zinc/57/65/60/550576560.db2.gz	GRMWHDBDBYCSMV-SFHVURJKSA-N	1	0	366.465	1.401	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1	ZINC000577128623	550623662	/nfs/dbraw/zinc/62/36/62/550623662.db2.gz	CTZIXXCFOSESJH-QGZVFWFLSA-N	1	0	361.511	1.975	20	30		FDEDRO
C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)N1CCOCC1	ZINC000577171665	550627717	/nfs/dbraw/zinc/62/77/17/550627717.db2.gz	BHWDTGVVIZCERI-GJZGRUSLSA-N	1	0	351.472	1.031	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NCc1cccc(NC(=O)c2cccnc2)c1	ZINC000577218239	550633672	/nfs/dbraw/zinc/63/36/72/550633672.db2.gz	QAUZLJMGBHCKGI-QGZVFWFLSA-N	1	0	351.410	1.971	20	30		FDEDRO
CC(C)Oc1ccc([C@@H](CNC(=O)[C@H](C)n2cnc(C#N)n2)[NH+](C)C)cc1	ZINC000577547463	550668319	/nfs/dbraw/zinc/66/83/19/550668319.db2.gz	NOGKHAYBWTVKOF-WMLDXEAASA-N	1	0	370.457	1.917	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1	ZINC000577621213	550676724	/nfs/dbraw/zinc/67/67/24/550676724.db2.gz	OTGONXDVRPDKNA-DLBZAZTESA-N	1	0	351.406	1.899	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1	ZINC000577723470	550687403	/nfs/dbraw/zinc/68/74/03/550687403.db2.gz	YHJMTXBQQCKISY-ZFWWWQNUSA-N	1	0	354.857	1.854	20	30		FDEDRO
N#CCc1ccc(CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1	ZINC000577725172	550687801	/nfs/dbraw/zinc/68/78/01/550687801.db2.gz	GZXNVWCKDWORHZ-KRWDZBQOSA-N	1	0	357.458	1.139	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)ncc1C#N	ZINC000577862969	550702954	/nfs/dbraw/zinc/70/29/54/550702954.db2.gz	NVSMJZGYFLIMBY-INIZCTEOSA-N	1	0	369.400	1.758	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1	ZINC000578207598	550739396	/nfs/dbraw/zinc/73/93/96/550739396.db2.gz	OJSPKSHBVNSDKV-CQSZACIVSA-N	1	0	359.478	1.454	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCO[C@H](C(C)C)C1)C(C)C	ZINC000578251858	550744916	/nfs/dbraw/zinc/74/49/16/550744916.db2.gz	SPQNQSPNLZVJJS-ROUUACIJSA-N	1	0	365.518	1.685	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)NCc2ccc3c[nH+]cn3c2)CC1	ZINC000578722702	550793633	/nfs/dbraw/zinc/79/36/33/550793633.db2.gz	ONNGKTMIFSCCCA-UHFFFAOYSA-N	1	0	361.409	1.633	20	30		FDEDRO
C[C@@H](NC(=O)c1cccc(C#N)c1Br)C(=O)NCC[NH+](C)C	ZINC000578764658	550799438	/nfs/dbraw/zinc/79/94/38/550799438.db2.gz	PKOFGNUIZYHARJ-SNVBAGLBSA-N	1	0	367.247	1.117	20	30		FDEDRO
Cc1nc(SCC(=O)NCCN2C[C@H]3CC[C@@H](C2)O3)c(C#N)c(C)c1C	ZINC000578851279	550808031	/nfs/dbraw/zinc/80/80/31/550808031.db2.gz	YHGZAHMXLBRXDT-IYBDPMFKSA-N	1	0	374.510	1.950	20	30		FDEDRO
N#Cc1cc(NCCCC[NH+]2CCN(Cc3ccccc3)CC2)ncn1	ZINC000578954823	550818313	/nfs/dbraw/zinc/81/83/13/550818313.db2.gz	CSAHBZLZIIINCM-UHFFFAOYSA-N	1	0	350.470	2.358	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCN(c3ccccc3)C2=O)cc1	ZINC000579228592	550849822	/nfs/dbraw/zinc/84/98/22/550849822.db2.gz	UJDWNNXVQFMQRA-ICSRJNTNSA-N	1	0	365.433	1.887	20	30		FDEDRO
COC[C@@](C)(CC(=O)OC)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000579434076	550872725	/nfs/dbraw/zinc/87/27/25/550872725.db2.gz	MWNTWVHSRYWKFH-QFBILLFUSA-N	1	0	359.426	1.611	20	30		FDEDRO
Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NC1(C#N)CC[NH+](C)CC1	ZINC000579458584	550875284	/nfs/dbraw/zinc/87/52/84/550875284.db2.gz	KVQNSLICJARXAK-UHFFFAOYSA-N	1	0	363.771	1.968	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1	ZINC000579592848	550890123	/nfs/dbraw/zinc/89/01/23/550890123.db2.gz	JJWXKIMOLXWXAD-SFHVURJKSA-N	1	0	354.454	1.359	20	30		FDEDRO
CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCN(c2cnccc2C#N)CC1	ZINC000579675227	550897974	/nfs/dbraw/zinc/89/79/74/550897974.db2.gz	CRDRDVABXLMSCD-IBGZPJMESA-N	1	0	371.485	1.395	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)NCC1CC[NH2+]CC1)c1ccc(F)c(F)c1	ZINC000580055255	550938109	/nfs/dbraw/zinc/93/81/09/550938109.db2.gz	NKFGLODKRQPINM-INIZCTEOSA-N	1	0	351.397	1.814	20	30		FDEDRO
N#Cc1cccnc1-n1cc(NC(=O)NC[C@@H]2CCCC[N@H+]2CCO)cn1	ZINC000580287077	550962515	/nfs/dbraw/zinc/96/25/15/550962515.db2.gz	BMAYODBUBKJBFV-INIZCTEOSA-N	1	0	369.429	1.107	20	30		FDEDRO
Cc1cccc(OC[C@H](O)C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c1	ZINC000580431555	550981636	/nfs/dbraw/zinc/98/16/36/550981636.db2.gz	QTIGZXVKIYBAHV-QZTJIDSGSA-N	1	0	356.422	1.636	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)C(=O)N2CCC(C#N)CC2)C[N@@H+]1Cc1ccccc1	ZINC000580914510	551032362	/nfs/dbraw/zinc/03/23/62/551032362.db2.gz	ZLQRCRSQEISGLX-YJBOKZPZSA-N	1	0	354.454	1.528	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1	ZINC000581478237	551092941	/nfs/dbraw/zinc/09/29/41/551092941.db2.gz	RZJCMRFMGHVFRX-RBUKOAKNSA-N	1	0	350.422	1.992	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccc(CNC(=O)NCC3(C#N)CC3)cc2)CC1	ZINC000581584682	551107323	/nfs/dbraw/zinc/10/73/23/551107323.db2.gz	GRIZHDSXYGVFPI-UHFFFAOYSA-N	1	0	355.486	1.927	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H]3CCC[C@@H]([NH3+])C3)C2=O)cc1	ZINC000581674179	551120863	/nfs/dbraw/zinc/12/08/63/551120863.db2.gz	TVFJKEMYYQSBFF-KURKYZTESA-N	1	0	369.469	1.476	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)c1C#N	ZINC000581933852	551151589	/nfs/dbraw/zinc/15/15/89/551151589.db2.gz	XKOLNQIDQWHGMD-RRFJBIMHSA-N	1	0	374.514	1.543	20	30		FDEDRO
C[C@@H]1CN(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCO1	ZINC000582882820	551276901	/nfs/dbraw/zinc/27/69/01/551276901.db2.gz	HFVJWJCCRTYIJR-MRXNPFEDSA-N	1	0	354.458	1.669	20	30		FDEDRO
C[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2)n1cnc(C#N)n1	ZINC000583020468	551292402	/nfs/dbraw/zinc/29/24/02/551292402.db2.gz	BSVMWZCJUOTLIJ-SNVBAGLBSA-N	1	0	359.459	1.963	20	30		FDEDRO
COc1cc(C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)ccc1C#N	ZINC000583899498	551418076	/nfs/dbraw/zinc/41/80/76/551418076.db2.gz	SNYCZNYNDQQXFQ-OAHLLOKOSA-N	1	0	363.483	1.861	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)NC[C@@H]3CCC[NH2+]C3)C2=O)cc1	ZINC000583921026	551421057	/nfs/dbraw/zinc/42/10/57/551421057.db2.gz	FUZWUMZXGRTCII-NVXWUHKLSA-N	1	0	355.442	1.352	20	30		FDEDRO
CN(C[C@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000584106994	551448208	/nfs/dbraw/zinc/44/82/08/551448208.db2.gz	AOTYATLTCKENEV-QZTJIDSGSA-N	1	0	369.469	1.789	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)n1	ZINC000584528129	551512128	/nfs/dbraw/zinc/51/21/28/551512128.db2.gz	BUQOGKAQOJTGMO-CQSZACIVSA-N	1	0	369.450	1.907	20	30		FDEDRO
C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1	ZINC000584748777	551541473	/nfs/dbraw/zinc/54/14/73/551541473.db2.gz	NOMWCBZAZZACFL-QWHCGFSZSA-N	1	0	356.405	2.439	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCCC[C@H]2CCO)CC1	ZINC000585754626	551593249	/nfs/dbraw/zinc/59/32/49/551593249.db2.gz	SZEVSSBPTXAILQ-ZWKOTPCHSA-N	1	0	350.507	1.306	20	30		FDEDRO
CNC(=O)CC[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1	ZINC000586785698	551619339	/nfs/dbraw/zinc/61/93/39/551619339.db2.gz	OCYRSNXJIYSLQO-ROUUACIJSA-N	1	0	359.470	1.873	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)C1	ZINC000587664363	551633384	/nfs/dbraw/zinc/63/33/84/551633384.db2.gz	HSGFONXYIROPEK-DOTOQJQBSA-N	1	0	356.470	1.830	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1	ZINC000588055931	551643458	/nfs/dbraw/zinc/64/34/58/551643458.db2.gz	HGSUGXKVHUFKHJ-IBGZPJMESA-N	1	0	366.465	1.673	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C1CCC1	ZINC000588317357	551666066	/nfs/dbraw/zinc/66/60/66/551666066.db2.gz	BPIARHIKRKHRBL-HNNXBMFYSA-N	1	0	356.470	1.753	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1ccc(C#N)cc1F	ZINC000588903537	551698113	/nfs/dbraw/zinc/69/81/13/551698113.db2.gz	GJXNDSAJTLXANY-UHFFFAOYSA-N	1	0	356.467	1.201	20	30		FDEDRO
CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@H](O)COc3ccc(C#N)cc3)[C@@H]2C1	ZINC000588979362	551702759	/nfs/dbraw/zinc/70/27/59/551702759.db2.gz	QBKQHUOEOTYQDX-XEYPJELSSA-N	1	0	357.454	1.535	20	30		FDEDRO
N#Cc1cccc(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)n1	ZINC000589300641	551723637	/nfs/dbraw/zinc/72/36/37/551723637.db2.gz	LSBHULKVHGENJK-UHFFFAOYSA-N	1	0	363.465	1.891	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1F	ZINC000589393090	551727038	/nfs/dbraw/zinc/72/70/38/551727038.db2.gz	XNNQSXPZHBYCAL-MRXNPFEDSA-N	1	0	374.416	1.349	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)[C@@H]2C1	ZINC000590282855	551770108	/nfs/dbraw/zinc/77/01/08/551770108.db2.gz	XIUMWLRDYJXEAH-BXUZGUMPSA-N	1	0	366.343	1.678	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@](O)(C[NH+](C)C)C1	ZINC000590338096	551774724	/nfs/dbraw/zinc/77/47/24/551774724.db2.gz	USEIDNZVXIRNKF-IBGZPJMESA-N	1	0	361.490	1.261	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H]3CCCN3c3ccc(C#N)cc3)[C@H]2C1	ZINC000590500820	551787469	/nfs/dbraw/zinc/78/74/69/551787469.db2.gz	MFKSWZCXRKKOJU-HSALFYBXSA-N	1	0	368.481	1.849	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(c4nc(N)n[nH]4)CC3)C2=O)cc1	ZINC000590599593	551796877	/nfs/dbraw/zinc/79/68/77/551796877.db2.gz	HPNRMFWLZMMSOR-INIZCTEOSA-N	1	0	365.441	1.634	20	30		FDEDRO
C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)Cc1ccnc(C#N)c1	ZINC000590764160	551814367	/nfs/dbraw/zinc/81/43/67/551814367.db2.gz	UEPJCJHKKHMRBR-UHFFFAOYSA-N	1	0	364.402	1.251	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[NH+]2CCN([C@H]3CCOC3)CC2)cc1Cl	ZINC000591021813	551836577	/nfs/dbraw/zinc/83/65/77/551836577.db2.gz	OPRSNQUXZCMRQJ-INIZCTEOSA-N	1	0	362.861	1.947	20	30		FDEDRO
COC(=O)[C@H]1CSCC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000591059492	551840345	/nfs/dbraw/zinc/84/03/45/551840345.db2.gz	BEAWTQQPBZDGNT-CVEARBPZSA-N	1	0	364.467	1.330	20	30		FDEDRO
CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)C2)CC1	ZINC000591062158	551840593	/nfs/dbraw/zinc/84/05/93/551840593.db2.gz	MQHYDFMVGFWOQM-YSIASYRMSA-N	1	0	352.482	1.946	20	30		FDEDRO
N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCC[NH2+]CC3)cn2)c1	ZINC000591289740	551856695	/nfs/dbraw/zinc/85/66/95/551856695.db2.gz	OWGODCFWYDOOBX-UHFFFAOYSA-N	1	0	365.393	1.506	20	30		FDEDRO
CC[C@@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)CC[C@@H]1[NH3+]	ZINC000591304223	551859463	/nfs/dbraw/zinc/85/94/63/551859463.db2.gz	UKJRFKIWQRRXGJ-CABCVRRESA-N	1	0	374.441	1.108	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c1	ZINC000591304531	551859478	/nfs/dbraw/zinc/85/94/78/551859478.db2.gz	IUWNOPBCNPLHKA-PBHICJAKSA-N	1	0	356.426	1.518	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](NC(=O)Nc3cccc(C[NH3+])c3)C2=O)cc1	ZINC000591310250	551860549	/nfs/dbraw/zinc/86/05/49/551860549.db2.gz	QFROFQWLQWCDCJ-GOSISDBHSA-N	1	0	363.421	1.940	20	30		FDEDRO
C[C@H]1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[C@@H]1C[NH3+]	ZINC000591350557	551864865	/nfs/dbraw/zinc/86/48/65/551864865.db2.gz	OPBIUQREWUDNDQ-HOCLYGCPSA-N	1	0	356.474	1.548	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@H]4CC[NH2+][C@@H]4C3)C2=O)cc1	ZINC000591357126	551865729	/nfs/dbraw/zinc/86/57/29/551865729.db2.gz	NPTIFYYZEVMFOV-FGTMMUONSA-N	1	0	367.453	1.053	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1	ZINC000591572818	551880717	/nfs/dbraw/zinc/88/07/17/551880717.db2.gz	AYFOYAKNJWRIMG-RBUKOAKNSA-N	1	0	368.481	1.755	20	30		FDEDRO
C[C@@H]1CCCN(C(=O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)[C@@H]1C[NH3+]	ZINC000591583313	551881196	/nfs/dbraw/zinc/88/11/96/551881196.db2.gz	LFMIAGDKSGWPDR-HZPDHXFCSA-N	1	0	369.469	1.051	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000591742479	551905394	/nfs/dbraw/zinc/90/53/94/551905394.db2.gz	NUYOPVUAPQPYED-CVEARBPZSA-N	1	0	363.483	1.569	20	30		FDEDRO
C[C@@H](O)C[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1	ZINC000591754061	551906035	/nfs/dbraw/zinc/90/60/35/551906035.db2.gz	YTEMZGFYRMQMDE-CRAIPNDOSA-N	1	0	373.478	1.871	20	30		FDEDRO
COc1ccccc1[C@@H](CNC(=O)N1CC[C@](O)(CC#N)C1)[NH+]1CCCC1	ZINC000591896974	551914253	/nfs/dbraw/zinc/91/42/53/551914253.db2.gz	VORUSYTZPUBTGV-YLJYHZDGSA-N	1	0	372.469	1.892	20	30		FDEDRO
COc1ccc2ncc(C#N)c(NCCN3CCC([NH+](C)C)CC3)c2c1	ZINC000591922715	551916881	/nfs/dbraw/zinc/91/68/81/551916881.db2.gz	WOWSDDHDWFLKCM-UHFFFAOYSA-N	1	0	353.470	1.975	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1	ZINC000592090857	551939487	/nfs/dbraw/zinc/93/94/87/551939487.db2.gz	WCROFWUFGGYWAN-SJORKVTESA-N	1	0	350.488	1.402	20	30		FDEDRO
Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@](O)(CC#N)C2)CC1	ZINC000592146161	551949274	/nfs/dbraw/zinc/94/92/74/551949274.db2.gz	FGGPGOZIGAPPSI-OAQYLSRUSA-N	1	0	370.497	1.426	20	30		FDEDRO
COc1cc(NC(=O)CC[N@@H+]2CC[C@](O)(CC#N)C2)cc(OC)c1OC	ZINC000592152539	551950571	/nfs/dbraw/zinc/95/05/71/551950571.db2.gz	ZEYSNUSKWHJGIC-GOSISDBHSA-N	1	0	363.414	1.391	20	30		FDEDRO
N#CC[C@]1(O)CC[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1	ZINC000592154914	551950947	/nfs/dbraw/zinc/95/09/47/551950947.db2.gz	WAZIHYRZVOWNSH-ZFWWWQNUSA-N	1	0	373.222	1.678	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(OCCOC)nc2)CC1	ZINC000592293897	551973861	/nfs/dbraw/zinc/97/38/61/551973861.db2.gz	OFWYCPVQAJZTSY-UHFFFAOYSA-N	1	0	362.474	1.947	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CCO1	ZINC000592373841	551985559	/nfs/dbraw/zinc/98/55/59/551985559.db2.gz	DVPVFKQMXUOAHP-ZANVPECISA-N	1	0	363.361	1.314	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1	ZINC000592375468	551985794	/nfs/dbraw/zinc/98/57/94/551985794.db2.gz	UULLLDWLNXSQRP-OCCSQVGLSA-N	1	0	364.427	1.619	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCCc3c2cnn3CCO)cc1	ZINC000592429308	551994199	/nfs/dbraw/zinc/99/41/99/551994199.db2.gz	GNIDJYOVIGGLSO-LPHOPBHVSA-N	1	0	370.453	1.348	20	30		FDEDRO
Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]C[C@@H]1CNc2c(C#N)cnn2C1	ZINC000592509184	552003630	/nfs/dbraw/zinc/00/36/30/552003630.db2.gz	JIHPLPMFNBDKAY-KMFMINBZSA-N	1	0	355.446	1.267	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)CCO2	ZINC000592898571	552040295	/nfs/dbraw/zinc/04/02/95/552040295.db2.gz	HYMQYDJQHCOGAX-UHFFFAOYSA-N	1	0	368.359	1.909	20	30		FDEDRO
C=C(C)[C@H](CO)[NH+]1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1	ZINC000593043415	552055209	/nfs/dbraw/zinc/05/52/09/552055209.db2.gz	FEUWXLJVQAXHAG-HOCLYGCPSA-N	1	0	352.475	1.578	20	30		FDEDRO
CCCNC(=O)CCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593317383	552088658	/nfs/dbraw/zinc/08/86/58/552088658.db2.gz	JGCJVLHUWJVKPI-UHFFFAOYSA-N	1	0	371.485	1.738	20	30		FDEDRO
Cc1noc(CCNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1	ZINC000593334728	552091112	/nfs/dbraw/zinc/09/11/12/552091112.db2.gz	LSNZVBAINHHSBJ-UHFFFAOYSA-N	1	0	368.441	1.756	20	30		FDEDRO
CC(=O)N[C@@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C(C)C	ZINC000593354218	552094700	/nfs/dbraw/zinc/09/47/00/552094700.db2.gz	YEYCIDVHERXABI-LJQANCHMSA-N	1	0	356.470	1.800	20	30		FDEDRO
CCN1C[C@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1=O	ZINC000593356618	552095072	/nfs/dbraw/zinc/09/50/72/552095072.db2.gz	YNGLLDPKCZISID-QGZVFWFLSA-N	1	0	354.454	1.507	20	30		FDEDRO
CNC(=O)C(C)(C)CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593383433	552099705	/nfs/dbraw/zinc/09/97/05/552099705.db2.gz	UPJWPILVBIQJLE-UHFFFAOYSA-N	1	0	371.485	1.594	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NCCCn3ccnn3)CC2)c1	ZINC000593392951	552101643	/nfs/dbraw/zinc/10/16/43/552101643.db2.gz	WUZXMBGAMHPHFZ-UHFFFAOYSA-N	1	0	367.457	1.504	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1	ZINC000593596672	552147265	/nfs/dbraw/zinc/14/72/65/552147265.db2.gz	CTAGZXZWEYIXKZ-QGZVFWFLSA-N	1	0	363.439	1.061	20	30		FDEDRO
N#CCCCS(=O)(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21	ZINC000593636681	552158417	/nfs/dbraw/zinc/15/84/17/552158417.db2.gz	XIGVQUVTAHLGQP-ROUUACIJSA-N	1	0	363.483	1.595	20	30		FDEDRO
N#CCCn1cc(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)c(-c2ccncc2)n1	ZINC000593678698	552172033	/nfs/dbraw/zinc/17/20/33/552172033.db2.gz	FQAJZDUIHPYAIS-GOSISDBHSA-N	1	0	352.442	1.110	20	30		FDEDRO
CN(C)c1cnc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cn1	ZINC000593886007	552217127	/nfs/dbraw/zinc/21/71/27/552217127.db2.gz	NQHLNCOOVRKKLZ-UHFFFAOYSA-N	1	0	364.453	1.809	20	30		FDEDRO
N#CCC(=O)N1CCN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1	ZINC000594003483	552236836	/nfs/dbraw/zinc/23/68/36/552236836.db2.gz	LCBVBTKKTHDVAM-LJQANCHMSA-N	1	0	356.470	1.335	20	30		FDEDRO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000594027526	552240524	/nfs/dbraw/zinc/24/05/24/552240524.db2.gz	QNJHFXVSKMTXRH-FRRDWIJNSA-N	1	0	360.483	1.186	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000594026031	552240747	/nfs/dbraw/zinc/24/07/47/552240747.db2.gz	XMGNCGZLBLBRPD-OWCLPIDISA-N	1	0	374.510	1.628	20	30		FDEDRO
CC(=O)N1CCC(NC(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCC2)CC1	ZINC000594032208	552241755	/nfs/dbraw/zinc/24/17/55/552241755.db2.gz	SMNWQQIXFZZUIH-UHFFFAOYSA-N	1	0	354.454	1.654	20	30		FDEDRO
C[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)N1C[C@@H](C)O[C@@H](C)C1	ZINC000594098958	552248924	/nfs/dbraw/zinc/24/89/24/552248924.db2.gz	KOQGUARLPRPUSZ-BKEDOTJMSA-N	1	0	367.490	1.862	20	30		FDEDRO
C[C@H](CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)N1C[C@@H](C)O[C@@H](C)C1	ZINC000594100392	552248962	/nfs/dbraw/zinc/24/89/62/552248962.db2.gz	YSBARDMVJMEANR-JEWRLFTDSA-N	1	0	354.454	1.854	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1)N1C[C@@H](C)O[C@@H](C)C1	ZINC000594311650	552284821	/nfs/dbraw/zinc/28/48/21/552284821.db2.gz	INQRUSBNBADNAB-UPJWGTAASA-N	1	0	362.405	1.250	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1sccc1C#N)N1C[C@@H](C)O[C@@H](C)C1	ZINC000594312172	552285108	/nfs/dbraw/zinc/28/51/08/552285108.db2.gz	MVSDDFOLAUQXLJ-UTUOFQBUSA-N	1	0	350.444	1.172	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1	ZINC000594369608	552296757	/nfs/dbraw/zinc/29/67/57/552296757.db2.gz	PBCNWRXABPKXIV-QFBILLFUSA-N	1	0	368.481	1.550	20	30		FDEDRO
C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)[C@@H]([NH3+])CCCCC#N	ZINC000594425295	552308272	/nfs/dbraw/zinc/30/82/72/552308272.db2.gz	HICKJAYZFQMOTL-WFASDCNBSA-N	1	0	352.460	1.265	20	30		FDEDRO
CCOc1ccccc1C(=O)N1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1	ZINC000594430110	552308725	/nfs/dbraw/zinc/30/87/25/552308725.db2.gz	YXLQKTISJYCNJA-QGZVFWFLSA-N	1	0	372.469	1.781	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1	ZINC000594427950	552308794	/nfs/dbraw/zinc/30/87/94/552308794.db2.gz	JZCXUUYOFQCAAT-KRWDZBQOSA-N	1	0	360.433	1.958	20	30		FDEDRO
Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)[C@@H]([NH3+])CCCCC#N)cc1	ZINC000594435440	552309204	/nfs/dbraw/zinc/30/92/04/552309204.db2.gz	CHNGNCRLEKWBCC-ZBFHGGJFSA-N	1	0	351.472	1.685	20	30		FDEDRO
COC(=O)c1cn(-c2cccc(NC(=O)[C@H]([NH3+])CCCCC#N)c2)nn1	ZINC000594435376	552309219	/nfs/dbraw/zinc/30/92/19/552309219.db2.gz	DNXUSUXDMWOMNL-CQSZACIVSA-N	1	0	356.386	1.404	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N1CCn2c(Cc3ccccc3)nnc2C1	ZINC000594438167	552309742	/nfs/dbraw/zinc/30/97/42/552309742.db2.gz	HIKSFJYSYNZTOA-MRXNPFEDSA-N	1	0	352.442	1.622	20	30		FDEDRO
COc1cc(OC)cc(N2CC[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)C2)c1	ZINC000594438724	552310589	/nfs/dbraw/zinc/31/05/89/552310589.db2.gz	KPNGYONTBAAQBN-RDTXWAMCSA-N	1	0	360.458	1.810	20	30		FDEDRO
CC(C)C[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1nc(-c2nc[nH]n2)no1	ZINC000594446213	552312061	/nfs/dbraw/zinc/31/20/61/552312061.db2.gz	OHMGTDKJYMNMLB-VXGBXAGGSA-N	1	0	360.422	1.469	20	30		FDEDRO
CC(=O)N1CCN(c2cccc(NC(=O)[C@H]([NH3+])CCCCC#N)c2)CC1	ZINC000594445845	552312106	/nfs/dbraw/zinc/31/21/06/552312106.db2.gz	LDHKHIFPZYYQCW-GOSISDBHSA-N	1	0	357.458	1.705	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([NH2+]C3CCN([C@@H]4CCOC4)CC3)C2=O)cc1	ZINC000594503782	552326481	/nfs/dbraw/zinc/32/64/81/552326481.db2.gz	BIRAQLIVNZFRQM-WOJBJXKFSA-N	1	0	368.481	1.897	20	30		FDEDRO
CC(C)(C#N)c1ccc(C[NH2+]CCS(=O)(=O)N2CCSCC2)cc1	ZINC000594501349	552326665	/nfs/dbraw/zinc/32/66/65/552326665.db2.gz	ZKCODUUAMUDTFO-UHFFFAOYSA-N	1	0	367.540	1.956	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)C2=O)cc1	ZINC000594525953	552327746	/nfs/dbraw/zinc/32/77/46/552327746.db2.gz	YWEMYUUOSZHKAB-CHWSQXEVSA-N	1	0	369.347	1.242	20	30		FDEDRO
C[NH+](C)CCN1CCN(c2cc(Br)c(C#N)cc2F)CC1=O	ZINC000594586486	552337841	/nfs/dbraw/zinc/33/78/41/552337841.db2.gz	SHACNHJUYNXXGS-UHFFFAOYSA-N	1	0	369.238	1.670	20	30		FDEDRO
CN(Cc1cn(CCC[NH+]2CCSCC2)nn1)c1cnc(C#N)cn1	ZINC000594655199	552349381	/nfs/dbraw/zinc/34/93/81/552349381.db2.gz	YGGMVMCOIWRCKL-UHFFFAOYSA-N	1	0	358.475	1.015	20	30		FDEDRO
N#Cc1cc(Cl)cc(Br)c1N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1	ZINC000594700757	552358741	/nfs/dbraw/zinc/35/87/41/552358741.db2.gz	AELKZFMBXDSKGW-PWSUYJOCSA-N	1	0	369.650	1.722	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1	ZINC000594790529	552386011	/nfs/dbraw/zinc/38/60/11/552386011.db2.gz	MIAWIMGEXWCINQ-AWEZNQCLSA-N	1	0	351.472	1.966	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1	ZINC000594799627	552389470	/nfs/dbraw/zinc/38/94/70/552389470.db2.gz	NSOUDGXZGAOJPR-CYBMUJFWSA-N	1	0	365.455	1.496	20	30		FDEDRO
C[C@H](CCNS(=O)(=O)c1cc(Br)cc(C#N)c1)[NH+](C)C	ZINC000594816908	552396600	/nfs/dbraw/zinc/39/66/00/552396600.db2.gz	LRFNTELWADSBSV-SNVBAGLBSA-N	1	0	360.277	1.939	20	30		FDEDRO
C[NH+](C)CCc1ccc(NC(=O)C(=O)NCCc2ccc(C#N)cc2)cc1	ZINC000595080267	552446394	/nfs/dbraw/zinc/44/63/94/552446394.db2.gz	PSWKUZAXKKIVAH-UHFFFAOYSA-N	1	0	364.449	1.960	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1C#N	ZINC000595113930	552455191	/nfs/dbraw/zinc/45/51/91/552455191.db2.gz	PLSOPGVXVCUPLB-UAGQMJEPSA-N	1	0	364.471	1.311	20	30		FDEDRO
C[C@]1(C#N)CCN(C(=O)C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1	ZINC000595167363	552475044	/nfs/dbraw/zinc/47/50/44/552475044.db2.gz	AFMITZCVAMKUGD-HXUWFJFHSA-N	1	0	360.502	1.863	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1	ZINC000595196974	552487153	/nfs/dbraw/zinc/48/71/53/552487153.db2.gz	PMFOPZHDJQFMPZ-KRWDZBQOSA-N	1	0	356.426	1.175	20	30		FDEDRO
Cc1cc(=NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)[nH]n1CCC#N	ZINC000595231366	552499564	/nfs/dbraw/zinc/49/95/64/552499564.db2.gz	RBGVUKRUHKKLEA-IAGOWNOFSA-N	1	0	370.432	2.512	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NCC2([NH3+])CCCC2)cc1C(F)(F)F	ZINC000595238355	552502014	/nfs/dbraw/zinc/50/20/14/552502014.db2.gz	UKODKDJXTRLGNQ-UHFFFAOYSA-N	1	0	354.332	1.903	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)c(F)c1	ZINC000595239978	552502339	/nfs/dbraw/zinc/50/23/39/552502339.db2.gz	IWMVHESJGRSEET-HNNXBMFYSA-N	1	0	358.417	1.874	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)c1	ZINC000595239890	552502452	/nfs/dbraw/zinc/50/24/52/552502452.db2.gz	FQLXIXNOEUQEGY-KRWDZBQOSA-N	1	0	354.454	1.929	20	30		FDEDRO
N#Cc1sccc1N1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1	ZINC000595274431	552509902	/nfs/dbraw/zinc/50/99/02/552509902.db2.gz	QZYHRLYQKVGDBJ-RBSFLKMASA-N	1	0	359.499	1.839	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)CC2)cc1	ZINC000595276435	552510209	/nfs/dbraw/zinc/51/02/09/552510209.db2.gz	ZFNUZPQASCLXJC-UHFFFAOYSA-N	1	0	364.409	1.511	20	30		FDEDRO
COC(=O)CCN1CC[C@H]([NH+]2CCC(Oc3ccc(C#N)cc3)CC2)C1=O	ZINC000595300881	552516579	/nfs/dbraw/zinc/51/65/79/552516579.db2.gz	BNXFYSHQJQAJLK-SFHVURJKSA-N	1	0	371.437	1.565	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@@H](N2CCC[C@@H]([NH+]3CCOCC3)CC2)C1=O	ZINC000595470547	552567616	/nfs/dbraw/zinc/56/76/16/552567616.db2.gz	OTPAADZWAWRXRB-IAGOWNOFSA-N	1	0	374.510	1.912	20	30		FDEDRO
C[C@]1(C#N)CCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1	ZINC000595495081	552572068	/nfs/dbraw/zinc/57/20/68/552572068.db2.gz	NRLQBLGYDQMZBQ-LJQANCHMSA-N	1	0	371.489	1.324	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCc1ccc(C#N)cc1	ZINC000595552046	552583150	/nfs/dbraw/zinc/58/31/50/552583150.db2.gz	OJCOTLJGZJGKDO-GOSISDBHSA-N	1	0	371.485	1.343	20	30		FDEDRO
COC[C@@H](CCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)OC	ZINC000595652816	552597622	/nfs/dbraw/zinc/59/76/22/552597622.db2.gz	IVAOIBYJNSGURW-LJQANCHMSA-N	1	0	374.485	1.873	20	30		FDEDRO
N#Cc1cccc(C2([NH2+]C[C@H](O)COC3CCOCC3)CCOCC2)c1	ZINC000595765954	552612747	/nfs/dbraw/zinc/61/27/47/552612747.db2.gz	XJOSVTNLKFEYRU-SFHVURJKSA-N	1	0	360.454	1.710	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)cc1	ZINC000595830073	552621229	/nfs/dbraw/zinc/62/12/29/552621229.db2.gz	TWDPELOUILSOBQ-ROUUACIJSA-N	1	0	357.454	1.437	20	30		FDEDRO
CCOC(=O)CC1([NH2+]CC(=O)Nc2sccc2C#N)CCOCC1	ZINC000595874071	552626898	/nfs/dbraw/zinc/62/68/98/552626898.db2.gz	LIOVTROKDTVSCH-UHFFFAOYSA-N	1	0	351.428	1.650	20	30		FDEDRO
N#Cc1cnccc1CN1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1	ZINC000595910000	552632043	/nfs/dbraw/zinc/63/20/43/552632043.db2.gz	FVVKABVAUVGLLY-MRXNPFEDSA-N	1	0	351.458	1.466	20	30		FDEDRO
C[C@H](c1ccccc1)[C@H](O)C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000596071362	552652350	/nfs/dbraw/zinc/65/23/50/552652350.db2.gz	ZAHBJUXGJHYMAU-RHSMWYFYSA-N	1	0	359.451	1.481	20	30		FDEDRO
CN1CC[NH+](CC2CCN(c3nc4ncccc4cc3C#N)CC2)CC1	ZINC000596089004	552654061	/nfs/dbraw/zinc/65/40/61/552654061.db2.gz	QPYGJFVTKBDICI-UHFFFAOYSA-N	1	0	350.470	1.965	20	30		FDEDRO
C[C@]1(NC(=O)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC[NH2+]C1	ZINC000596128667	552658290	/nfs/dbraw/zinc/65/82/90/552658290.db2.gz	IQWBIDKITGWXPX-IBGZPJMESA-N	1	0	365.393	1.552	20	30		FDEDRO
C[C@@]1(NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC[NH2+]C1	ZINC000596129137	552658415	/nfs/dbraw/zinc/65/84/15/552658415.db2.gz	NVRQOQHTOMAOBN-CQSZACIVSA-N	1	0	351.204	1.127	20	30		FDEDRO
C[C@]1(NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC[NH2+]C1	ZINC000596129927	552658440	/nfs/dbraw/zinc/65/84/40/552658440.db2.gz	SRBHMYYXASZFGN-AWEZNQCLSA-N	1	0	351.204	1.127	20	30		FDEDRO
C[C@@H](CCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[NH+](C)C	ZINC000596558213	552688847	/nfs/dbraw/zinc/68/88/47/552688847.db2.gz	YCJNOLNGRCMIDV-WMLDXEAASA-N	1	0	357.458	1.693	20	30		FDEDRO
C[C@@H](CCNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[NH+](C)C	ZINC000596584145	552691629	/nfs/dbraw/zinc/69/16/29/552691629.db2.gz	SYDBLXKPTOPHJT-YOEHRIQHSA-N	1	0	357.458	1.299	20	30		FDEDRO
Cn1cncc1[C@@H]1C[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000596830139	552715373	/nfs/dbraw/zinc/71/53/73/552715373.db2.gz	ZAMDPVQGWWKIQU-QZTJIDSGSA-N	1	0	351.454	1.986	20	30		FDEDRO
COC(=O)C(C)(C)n1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)cn1	ZINC000597099573	552746814	/nfs/dbraw/zinc/74/68/14/552746814.db2.gz	LPVITVHOYBZCMF-UHFFFAOYSA-N	1	0	364.450	1.490	20	30		FDEDRO
N#CCCCCNC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1	ZINC000597257752	552766034	/nfs/dbraw/zinc/76/60/34/552766034.db2.gz	VEOJLYJCYCPFDJ-UHFFFAOYSA-N	1	0	357.458	1.220	20	30		FDEDRO
C[C@@H](CC#N)N(C)c1nnc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1C[C@H]1CCCO1	ZINC000597338246	552776872	/nfs/dbraw/zinc/77/68/72/552776872.db2.gz	NXXQNYUHXVZDOH-HZMVEIRTSA-N	1	0	374.489	1.731	20	30		FDEDRO
C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)Cc1ccc(C#N)cc1	ZINC000597389496	552783076	/nfs/dbraw/zinc/78/30/76/552783076.db2.gz	PNQVMVUXXMJMOC-MRXNPFEDSA-N	1	0	356.470	1.753	20	30		FDEDRO
C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NCC3(C#N)CCCCC3)C2)CC1	ZINC000597398413	552784158	/nfs/dbraw/zinc/78/41/58/552784158.db2.gz	VHCWZVUPUNSQRG-QGZVFWFLSA-N	1	0	360.502	1.767	20	30		FDEDRO
C[C@H]1C[NH+](CCCNC(=O)C(=O)NCC2(C#N)CCCCC2)C[C@H](C)O1	ZINC000597401489	552784635	/nfs/dbraw/zinc/78/46/35/552784635.db2.gz	TXEALDPIZUPHEY-HOTGVXAUSA-N	1	0	364.490	1.192	20	30		FDEDRO
N#C[C@H]1CN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CCN1Cc1ccccc1	ZINC000597439429	552789429	/nfs/dbraw/zinc/78/94/29/552789429.db2.gz	JIMDYTPBACYLKH-ROUUACIJSA-N	1	0	353.470	1.548	20	30		FDEDRO
C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccc(Br)cc2C#N)C1	ZINC000597574599	552806954	/nfs/dbraw/zinc/80/69/54/552806954.db2.gz	QSWGAKHBGRXVKT-INIZCTEOSA-N	1	0	366.259	1.849	20	30		FDEDRO
C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1	ZINC000597699628	552823900	/nfs/dbraw/zinc/82/39/00/552823900.db2.gz	LAXFNHMKNVAANE-PBHICJAKSA-N	1	0	363.483	1.929	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccn4nnnc4c3)CC2)c1	ZINC000597817805	552836178	/nfs/dbraw/zinc/83/61/78/552836178.db2.gz	AWTOERHGSZBVIJ-UHFFFAOYSA-N	1	0	361.409	1.390	20	30		FDEDRO
N#Cc1ccc(OCC(=O)NCC2CC[NH+](C3CCOCC3)CC2)cc1	ZINC000597877229	552843034	/nfs/dbraw/zinc/84/30/34/552843034.db2.gz	DXTKQLIHFGBSFI-UHFFFAOYSA-N	1	0	357.454	1.944	20	30		FDEDRO
N#Cc1ccc(OCC(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1	ZINC000597992730	552854023	/nfs/dbraw/zinc/85/40/23/552854023.db2.gz	XYTZHFRWPCEALO-IBGZPJMESA-N	1	0	365.433	1.820	20	30		FDEDRO
N#Cc1cc(F)cc(C2(C(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)CC2)c1	ZINC000598451751	552896983	/nfs/dbraw/zinc/89/69/83/552896983.db2.gz	ZCZICKIXFMZECB-GOSISDBHSA-N	1	0	357.429	1.787	20	30		FDEDRO
CNc1ccc(C(=O)N=c2[nH][n-]c(CCC[NH2+]C)c2C#N)cc1[N+](=O)[O-]	ZINC000598537750	552906943	/nfs/dbraw/zinc/90/69/43/552906943.db2.gz	OTJCRIHBTGIWHH-UHFFFAOYSA-N	1	0	357.374	1.636	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)CN1CCN(C(=O)COc2ccc(F)cc2)CC1	ZINC000598589415	552912124	/nfs/dbraw/zinc/91/21/24/552912124.db2.gz	MKYVIOJBVFFUCT-MRXNPFEDSA-N	1	0	363.433	1.649	20	30		FDEDRO
Cc1ccc(OCC(=O)N2CCN(C[C@H](O)CC(C)(C)C#N)CC2)cc1	ZINC000598590093	552912312	/nfs/dbraw/zinc/91/23/12/552912312.db2.gz	JYVMXKUHNFTRSW-QGZVFWFLSA-N	1	0	359.470	1.819	20	30		FDEDRO
C=C(C)C[NH+]1CCC(Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1	ZINC000598594002	552912886	/nfs/dbraw/zinc/91/28/86/552912886.db2.gz	DSOVQUZURAQPJM-UHFFFAOYSA-N	1	0	362.434	1.674	20	30		FDEDRO
C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)C[C@@H](O)CC(C)(C)C#N	ZINC000598619532	552916486	/nfs/dbraw/zinc/91/64/86/552916486.db2.gz	DQEGSINNFLVXOK-LBPRGKRZSA-N	1	0	373.450	1.084	20	30		FDEDRO
CN1CC[NH+](CC2CN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)C2)CC1	ZINC000599105764	552968397	/nfs/dbraw/zinc/96/83/97/552968397.db2.gz	HRFIEFIHSBAEBP-UHFFFAOYSA-N	1	0	366.425	1.698	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)CCOCC1	ZINC000599257364	553005067	/nfs/dbraw/zinc/00/50/67/553005067.db2.gz	JQKQCUXCHKZANE-SFHVURJKSA-N	1	0	357.454	1.821	20	30		FDEDRO
CN(CC(=O)NCc1cccs1)C[C@H](O)COc1ccccc1C#N	ZINC000599292182	553017596	/nfs/dbraw/zinc/01/75/96/553017596.db2.gz	FSNNMZCXLXHQOJ-HNNXBMFYSA-N	1	0	359.451	1.608	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)CCOCC1	ZINC000599320016	553025478	/nfs/dbraw/zinc/02/54/78/553025478.db2.gz	PRHGDQUKAFGEBY-KGLIPLIRSA-N	1	0	350.381	1.693	20	30		FDEDRO
CCN1C(=O)N=NC1C1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1	ZINC000599332945	553029977	/nfs/dbraw/zinc/02/99/77/553029977.db2.gz	YRLJREYDBXLIGV-MRXNPFEDSA-N	1	0	371.441	1.495	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1ccc(-n2ccnn2)cc1	ZINC000599355216	553034834	/nfs/dbraw/zinc/03/48/34/553034834.db2.gz	WBOCAYOBYABVAT-YJBOKZPZSA-N	1	0	355.442	1.989	20	30		FDEDRO
CCOC(=O)[C@]1(C(C)C)CC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000599387408	553042899	/nfs/dbraw/zinc/04/28/99/553042899.db2.gz	LJWDBNQBKPRBNC-VQIMIIECSA-N	1	0	352.475	1.969	20	30		FDEDRO
CCOC(=O)[C@@]1(C(C)C)CC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000599387405	553043031	/nfs/dbraw/zinc/04/30/31/553043031.db2.gz	LJWDBNQBKPRBNC-APWZRJJASA-N	1	0	352.475	1.969	20	30		FDEDRO
N#CC1(C[C@@H](O)CN2CCO[C@@H](COc3ccccc3)C2)CCOCC1	ZINC000599391644	553043519	/nfs/dbraw/zinc/04/35/19/553043519.db2.gz	PFVPSYIGEWYJOI-IEBWSBKVSA-N	1	0	360.454	1.838	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+](C)CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1=O	ZINC000599398460	553045742	/nfs/dbraw/zinc/04/57/42/553045742.db2.gz	ZCNZRLWGSMBRKN-LFDOHDQPSA-N	1	0	366.502	1.968	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)CCOCC1	ZINC000599414838	553051581	/nfs/dbraw/zinc/05/15/81/553051581.db2.gz	JRDCMERWWOJMML-HIFRSBDPSA-N	1	0	350.381	1.837	20	30		FDEDRO
C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)N(C)CCC#N	ZINC000599442245	553058341	/nfs/dbraw/zinc/05/83/41/553058341.db2.gz	RMXBKGNQCINWGO-RDJZCZTQSA-N	1	0	350.488	1.577	20	30		FDEDRO
CCC1([NH+]2CCOCC2)CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1	ZINC000599670694	553118596	/nfs/dbraw/zinc/11/85/96/553118596.db2.gz	YNAOOQLEKFQLCU-SFHVURJKSA-N	1	0	356.470	1.661	20	30		FDEDRO
N#CC1(NC(=O)c2cn3c(n2)COCC3)CC[NH+](Cc2ccccc2)CC1	ZINC000599753386	553138237	/nfs/dbraw/zinc/13/82/37/553138237.db2.gz	WXIOBDSZGPUOGB-UHFFFAOYSA-N	1	0	365.437	1.701	20	30		FDEDRO
CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000599899247	553170981	/nfs/dbraw/zinc/17/09/81/553170981.db2.gz	KIDWMJASSGFHOZ-QWHCGFSZSA-N	1	0	365.231	1.516	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1	ZINC000599904183	553172174	/nfs/dbraw/zinc/17/21/74/553172174.db2.gz	WLDGPDCTWLJMLH-KRWDZBQOSA-N	1	0	356.426	1.114	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(F)c1	ZINC000599911716	553173233	/nfs/dbraw/zinc/17/32/33/553173233.db2.gz	FFWXWSNEQCKXMR-QGZVFWFLSA-N	1	0	360.433	1.997	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(F)cc1C#N	ZINC000599936705	553178029	/nfs/dbraw/zinc/17/80/29/553178029.db2.gz	AEULPGYNSFRBMO-UKRRQHHQSA-N	1	0	360.389	1.387	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c(F)cc1C#N	ZINC000599951406	553183102	/nfs/dbraw/zinc/18/31/02/553183102.db2.gz	OBYRNNUSAGKJGD-CYBMUJFWSA-N	1	0	374.416	1.589	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c(F)cc1C#N	ZINC000599970475	553189076	/nfs/dbraw/zinc/18/90/76/553189076.db2.gz	PIGJMXVASLBAKN-ZDUSSCGKSA-N	1	0	360.389	1.340	20	30		FDEDRO
CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(OC)c(C#N)cc1F	ZINC000599974843	553190152	/nfs/dbraw/zinc/19/01/52/553190152.db2.gz	GRHIDUFMTCBTJJ-UHFFFAOYSA-N	1	0	350.394	1.445	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cn4c(n3)COCC4)CC2)c1	ZINC000600083716	553215370	/nfs/dbraw/zinc/21/53/70/553215370.db2.gz	WMAVTZRMLNLWTM-UHFFFAOYSA-N	1	0	365.437	1.679	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC([NH+]2CCOCC2)CC1	ZINC000600105407	553219246	/nfs/dbraw/zinc/21/92/46/553219246.db2.gz	POILPSCMMPHQOF-UHFFFAOYSA-N	1	0	372.469	1.532	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(Cn2cncn2)cc1	ZINC000600719715	553306727	/nfs/dbraw/zinc/30/67/27/553306727.db2.gz	WBGDRQCKJZHATB-LJQANCHMSA-N	1	0	363.421	1.728	20	30		FDEDRO
COc1cccc2c1OC[C@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)C2	ZINC000600723477	553307667	/nfs/dbraw/zinc/30/76/67/553307667.db2.gz	VDIXLSPCNVDTGN-IAGOWNOFSA-N	1	0	354.406	1.900	20	30		FDEDRO
COc1cc(OC)cc(N2CC[C@H]([NH2+]C[C@@H](O)CC3(C#N)CC3)C2=O)c1	ZINC000600727427	553307913	/nfs/dbraw/zinc/30/79/13/553307913.db2.gz	IGGRJQKTHPEJDT-YOEHRIQHSA-N	1	0	359.426	1.453	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]CCCNC(=O)c2ccc(F)cc2)CCOCC1	ZINC000600728341	553308279	/nfs/dbraw/zinc/30/82/79/553308279.db2.gz	TUEULBWKWSVITD-QGZVFWFLSA-N	1	0	363.433	1.607	20	30		FDEDRO
CCS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)cc1	ZINC000600729605	553308393	/nfs/dbraw/zinc/30/83/93/553308393.db2.gz	BLGSDNLPBQAXGD-INIZCTEOSA-N	1	0	366.483	1.641	20	30		FDEDRO
Cn1cc(C[NH2+]C[C@@H](O)COc2ccccc2C#N)c(C(F)(F)F)n1	ZINC000600730205	553308578	/nfs/dbraw/zinc/30/85/78/553308578.db2.gz	ZKERXWCBONCFAO-CYBMUJFWSA-N	1	0	354.332	1.840	20	30		FDEDRO
CS(=O)(=O)c1cccc(C[NH2+]C[C@@H](O)COc2ccccc2C#N)c1	ZINC000600740102	553309507	/nfs/dbraw/zinc/30/95/07/553309507.db2.gz	SPRDCQMYXGNQFI-MRXNPFEDSA-N	1	0	360.435	1.491	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCCc2c1cnn2CCO	ZINC000600740674	553309659	/nfs/dbraw/zinc/30/96/59/553309659.db2.gz	ZXRZGWPGXCQLCT-RDJZCZTQSA-N	1	0	356.426	1.154	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H](N1CCOCC1)C(F)(F)F	ZINC000600740853	553309719	/nfs/dbraw/zinc/30/97/19/553309719.db2.gz	KTQZFHNVXPEILS-HOCLYGCPSA-N	1	0	373.375	1.151	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H](CO)Cc1c[nH]c2ccccc12	ZINC000600742210	553309848	/nfs/dbraw/zinc/30/98/48/553309848.db2.gz	IYYYLLMRZYOOES-ROUUACIJSA-N	1	0	365.433	1.972	20	30		FDEDRO
C[C@@](O)(C[C@@H](O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)C1CC1	ZINC000600846261	553321228	/nfs/dbraw/zinc/32/12/28/553321228.db2.gz	OTZPGBVWTIZSJB-NHCUHLMSSA-N	1	0	357.498	1.978	20	30		FDEDRO
N#CCc1ccccc1S(=O)(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1	ZINC000601341674	553379795	/nfs/dbraw/zinc/37/97/95/553379795.db2.gz	IUWUFALBXXULFN-IRXDYDNUSA-N	1	0	363.483	1.660	20	30		FDEDRO
C[NH+]1CCN(CCCS(=O)(=O)NC2(c3cccc(C#N)c3)CC2)CC1	ZINC000601376685	553388653	/nfs/dbraw/zinc/38/86/53/553388653.db2.gz	ODBCQNKXJDHZBW-UHFFFAOYSA-N	1	0	362.499	1.104	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000601482360	553417123	/nfs/dbraw/zinc/41/71/23/553417123.db2.gz	TWJSFQLQMCQHHJ-NUJGCVRESA-N	1	0	364.515	1.823	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000601482594	553417299	/nfs/dbraw/zinc/41/72/99/553417299.db2.gz	XRGPBOQMXBHQJL-NUJGCVRESA-N	1	0	364.515	1.680	20	30		FDEDRO
Cc1ccc(C[N@H+]2CC[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C2)cc1	ZINC000601523302	553428164	/nfs/dbraw/zinc/42/81/64/553428164.db2.gz	VMTBEXSJSHAPHW-NVXWUHKLSA-N	1	0	350.488	1.495	20	30		FDEDRO
N#CCCN1CCN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC1	ZINC000601551469	553434482	/nfs/dbraw/zinc/43/44/82/553434482.db2.gz	PYOQUWODKSQNPQ-UHFFFAOYSA-N	1	0	369.513	1.934	20	30		FDEDRO
C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000601575906	553438509	/nfs/dbraw/zinc/43/85/09/553438509.db2.gz	SLUKLVYUNDVETI-WPRPVWTQSA-N	1	0	351.204	1.207	20	30		FDEDRO
C[NH+](C)CCn1cc(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cn1	ZINC000601590659	553441524	/nfs/dbraw/zinc/44/15/24/553441524.db2.gz	KXYJFZYKFUXKMV-INIZCTEOSA-N	1	0	354.414	1.005	20	30		FDEDRO
CC(C)C[C@H](NC(=O)C1(C#N)CC2(CC2)C1)C(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000601599495	553442931	/nfs/dbraw/zinc/44/29/31/553442931.db2.gz	WIIHMUWDLQKRMQ-HOTGVXAUSA-N	1	0	360.502	1.764	20	30		FDEDRO
N#CCCN1CCN(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)CC1	ZINC000601620534	553446916	/nfs/dbraw/zinc/44/69/16/553446916.db2.gz	LEDHYNJVOMNFRY-UHFFFAOYSA-N	1	0	363.506	1.118	20	30		FDEDRO
CS(=O)(=O)C1(C[NH2+]C[C@H](O)COc2ccccc2C#N)CCCCC1	ZINC000601957093	553495962	/nfs/dbraw/zinc/49/59/62/553495962.db2.gz	DTWRWWGNLXLJQM-INIZCTEOSA-N	1	0	366.483	1.635	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H](n2cncn2)C(F)(F)F)cc1	ZINC000601970167	553497556	/nfs/dbraw/zinc/49/75/56/553497556.db2.gz	YZVBIPPJLMGTDB-TZMCWYRMSA-N	1	0	355.320	1.283	20	30		FDEDRO
N#Cc1cc(F)cc(NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1	ZINC000602021961	553502385	/nfs/dbraw/zinc/50/23/85/553502385.db2.gz	DZAUBCRJRUCGAP-UHFFFAOYSA-N	1	0	358.417	1.970	20	30		FDEDRO
C[NH+](C)CCOC1CCN(C(=O)C(=O)Nc2cc(F)cc(C#N)c2)CC1	ZINC000602024364	553503014	/nfs/dbraw/zinc/50/30/14/553503014.db2.gz	QLNIRWUGMXLTFO-UHFFFAOYSA-N	1	0	362.405	1.205	20	30		FDEDRO
C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)cc(C#N)c2)C1	ZINC000602027155	553503790	/nfs/dbraw/zinc/50/37/90/553503790.db2.gz	OVEKUEZHRRYRRD-AWEZNQCLSA-N	1	0	358.417	1.826	20	30		FDEDRO
N#Cc1cc(F)cc(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)c1	ZINC000602031583	553504672	/nfs/dbraw/zinc/50/46/72/553504672.db2.gz	XBJQENKXNICVTQ-UHFFFAOYSA-N	1	0	374.416	1.207	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1	ZINC000602057712	553510333	/nfs/dbraw/zinc/51/03/33/553510333.db2.gz	JCMGNGDEADMRMO-UHFFFAOYSA-N	1	0	370.453	1.982	20	30		FDEDRO
CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N(C)[C@H]2CCC[C@@H]2C#N)CC1	ZINC000602066877	553512080	/nfs/dbraw/zinc/51/20/80/553512080.db2.gz	KCYRQKUSAGIXGZ-ZBFHGGJFSA-N	1	0	372.473	1.629	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c(F)c1	ZINC000602247543	553548143	/nfs/dbraw/zinc/54/81/43/553548143.db2.gz	VSPKMJKVBYUQKF-INIZCTEOSA-N	1	0	358.417	1.447	20	30		FDEDRO
COc1cccc(C[C@H]([NH3+])C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1	ZINC000602422015	553578894	/nfs/dbraw/zinc/57/88/94/553578894.db2.gz	RZZRFVYOIRUADD-SFHVURJKSA-N	1	0	365.437	1.180	20	30		FDEDRO
COC(=O)c1[nH]c(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1C	ZINC000602629857	553614254	/nfs/dbraw/zinc/61/42/54/553614254.db2.gz	KAACMMPBYZQLCW-KRWDZBQOSA-N	1	0	366.421	1.872	20	30		FDEDRO
COCCc1ccc(OC[C@H](O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1	ZINC000602849194	553650549	/nfs/dbraw/zinc/65/05/49/553650549.db2.gz	JRLACWYENLHAOW-ZIFCJYIRSA-N	1	0	361.486	1.533	20	30		FDEDRO
COCCc1ccc(OC[C@H](O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)cc1	ZINC000602849193	553650812	/nfs/dbraw/zinc/65/08/12/553650812.db2.gz	JRLACWYENLHAOW-ZHALLVOQSA-N	1	0	361.486	1.533	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@](O)(C[NH+](C)C)C2)c1C	ZINC000602891385	553662577	/nfs/dbraw/zinc/66/25/77/553662577.db2.gz	LVFZLLHYJWCXJW-OAQYLSRUSA-N	1	0	372.513	1.939	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@](O)(C[NH+](C)C)C1	ZINC000602893353	553663088	/nfs/dbraw/zinc/66/30/88/553663088.db2.gz	UWXGILDFXOJMLN-YLJYHZDGSA-N	1	0	358.486	1.710	20	30		FDEDRO
N#Cc1ccccc1NC1CC[NH+](C[C@H](O)COC[C@H]2CCCO2)CC1	ZINC000602898355	553664181	/nfs/dbraw/zinc/66/41/81/553664181.db2.gz	RDQWKJOCFBEBBA-RBUKOAKNSA-N	1	0	359.470	1.991	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1	ZINC000602935379	553673949	/nfs/dbraw/zinc/67/39/49/553673949.db2.gz	LWVCWZOQOLUMIT-PNHOKKKMSA-N	1	0	368.437	1.306	20	30		FDEDRO
COCC[NH2+]Cc1ccn(Cc2cn([C@@H](C)c3ccc(C#N)cc3)nn2)n1	ZINC000603227644	553736446	/nfs/dbraw/zinc/73/64/46/553736446.db2.gz	MVAGMCOAPAMFDB-HNNXBMFYSA-N	1	0	365.441	1.740	20	30		FDEDRO
N#Cc1ccc(N2CCC[N@@H+](C3CCCC3)CC2)c(CS(N)(=O)=O)c1	ZINC000603297663	553758478	/nfs/dbraw/zinc/75/84/78/553758478.db2.gz	VYFHMFQMQAVPLS-UHFFFAOYSA-N	1	0	362.499	1.801	20	30		FDEDRO
C[N@@H+]1CCCC(C)(C)[C@H]1CNc1ccc(C#N)cc1CS(N)(=O)=O	ZINC000603365156	553772773	/nfs/dbraw/zinc/77/27/73/553772773.db2.gz	YDGLXPKBDSPACI-MRXNPFEDSA-N	1	0	350.488	1.879	20	30		FDEDRO
CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)c1ccc(C#N)nn1	ZINC000603401319	553780358	/nfs/dbraw/zinc/78/03/58/553780358.db2.gz	FTDZFRRGLXHSSI-UHFFFAOYSA-N	1	0	364.409	1.012	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCNC(=O)[C@H]1C(C)C)C(C)C	ZINC000604173109	553849135	/nfs/dbraw/zinc/84/91/35/553849135.db2.gz	AADVPYPJBAJVQG-IAGOWNOFSA-N	1	0	350.507	1.851	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC2CC[NH+](C)CC2)cc1	ZINC000605993743	554033385	/nfs/dbraw/zinc/03/33/85/554033385.db2.gz	HWMGREABCXQXDQ-UHFFFAOYSA-N	1	0	359.430	1.143	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC(=O)NC(C)(C)C	ZINC000609084404	554335881	/nfs/dbraw/zinc/33/58/81/554335881.db2.gz	WQUXNEMQODKOPD-UHFFFAOYSA-N	1	0	373.501	1.936	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC000609077567	554336127	/nfs/dbraw/zinc/33/61/27/554336127.db2.gz	FFOQKJZKWFFLRF-HOCLYGCPSA-N	1	0	358.442	1.029	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)ccc1F	ZINC000609124457	554339889	/nfs/dbraw/zinc/33/98/89/554339889.db2.gz	AHOVNAMTBWLESI-INIZCTEOSA-N	1	0	374.416	1.349	20	30		FDEDRO
Cc1cc(C(=O)N(CCC#N)CCC[NH+](C)C)ccc1N1CCNC1=O	ZINC000609166840	554345720	/nfs/dbraw/zinc/34/57/20/554345720.db2.gz	FOXQUUOYEIYLON-UHFFFAOYSA-N	1	0	357.458	1.832	20	30		FDEDRO
C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(C#N)cc1	ZINC000609199560	554348786	/nfs/dbraw/zinc/34/87/86/554348786.db2.gz	AIAKVZXJSGMQMC-WMLDXEAASA-N	1	0	357.458	1.506	20	30		FDEDRO
N#CCN1CCC(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1	ZINC000609340887	554369211	/nfs/dbraw/zinc/36/92/11/554369211.db2.gz	DBFQXJVEQVZFKH-UHFFFAOYSA-N	1	0	365.547	1.635	20	30		FDEDRO
C[NH+](C)CCN1CCN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC1	ZINC000609629872	554405397	/nfs/dbraw/zinc/40/53/97/554405397.db2.gz	BCHIOIBZNQVYIR-IBGZPJMESA-N	1	0	355.486	1.233	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[NH+]1CCC(C(N)=O)(c2ccccc2)CC1	ZINC000609672843	554410022	/nfs/dbraw/zinc/41/00/22/554410022.db2.gz	SOWXVUTUAPDTEZ-UHFFFAOYSA-N	1	0	367.453	1.161	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(c2cc(C#N)ccn2)CC1)C1CC[NH+](C)CC1	ZINC000610027950	554450112	/nfs/dbraw/zinc/45/01/12/554450112.db2.gz	TXBVYNCMZFIMSR-HNNXBMFYSA-N	1	0	356.474	1.515	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(Cc3nnc(-c4cccc(C#N)c4)o3)CC2)C1	ZINC000610391187	554499347	/nfs/dbraw/zinc/49/93/47/554499347.db2.gz	BPFFMWGVWOPGRE-GOSISDBHSA-N	1	0	366.469	1.820	20	30		FDEDRO
C[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(C#N)c1	ZINC000610401715	554499951	/nfs/dbraw/zinc/49/99/51/554499951.db2.gz	YVSAVKYXWMWQAL-CRAIPNDOSA-N	1	0	371.485	1.861	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@H](C(=O)OC(C)(C)C)C2)CC1	ZINC000610459333	554511412	/nfs/dbraw/zinc/51/14/12/554511412.db2.gz	LXFZOTMJERLMCH-INIZCTEOSA-N	1	0	367.490	1.779	20	30		FDEDRO
C[NH+](C)C1CCN(CCNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC1	ZINC000610503614	554519926	/nfs/dbraw/zinc/51/99/26/554519926.db2.gz	NSUBTTKPSHKMGY-HXUWFJFHSA-N	1	0	369.513	1.669	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1	ZINC000610527110	554522800	/nfs/dbraw/zinc/52/28/00/554522800.db2.gz	JXOUZJGBWULVQD-AZUAARDMSA-N	1	0	368.481	1.708	20	30		FDEDRO
Cc1sc(NC(=O)CN2CC[NH+](C(C)(C)CO)CC2)c(C#N)c1C	ZINC000610543033	554526116	/nfs/dbraw/zinc/52/61/16/554526116.db2.gz	QSHFLKACJZLOHN-UHFFFAOYSA-N	1	0	350.488	1.564	20	30		FDEDRO
CC(C)(O)C[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)C1CCOCC1	ZINC000610550669	554527147	/nfs/dbraw/zinc/52/71/47/554527147.db2.gz	LRLNEOXIVWKRFP-GOSISDBHSA-N	1	0	362.470	1.744	20	30		FDEDRO
N#CCCN(CCN1CCOCC1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1	ZINC000610559822	554528020	/nfs/dbraw/zinc/52/80/20/554528020.db2.gz	WGEFUGJQJBWAAO-UHFFFAOYSA-N	1	0	369.429	1.347	20	30		FDEDRO
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)c1C	ZINC000611187344	554613736	/nfs/dbraw/zinc/61/37/36/554613736.db2.gz	GVARPOQKSOMNKP-GFCCVEGCSA-N	1	0	368.441	1.366	20	30		FDEDRO
CC(C)[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)C(=O)N1CCCC1	ZINC000611395711	554630473	/nfs/dbraw/zinc/63/04/73/554630473.db2.gz	SHZVIPRQLKAAKK-MJGOQNOKSA-N	1	0	359.470	1.729	20	30		FDEDRO
N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1	ZINC000611394871	554630482	/nfs/dbraw/zinc/63/04/82/554630482.db2.gz	OHKQBZMEYQDNKE-UYAOXDASSA-N	1	0	368.481	1.458	20	30		FDEDRO
N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1	ZINC000611394870	554630589	/nfs/dbraw/zinc/63/05/89/554630589.db2.gz	OHKQBZMEYQDNKE-QUCCMNQESA-N	1	0	368.481	1.458	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c(F)c1	ZINC000611546137	554644515	/nfs/dbraw/zinc/64/45/15/554644515.db2.gz	CHQRHAXDLCEMLX-UHFFFAOYSA-N	1	0	350.313	1.855	20	30		FDEDRO
N#Cc1ccc2c(c1)N(C(=O)C(=O)Nc1cnn(-c3cc[nH+]cc3)c1)CC2	ZINC000611546277	554644726	/nfs/dbraw/zinc/64/47/26/554644726.db2.gz	WXSCDHOHKOGNBF-UHFFFAOYSA-N	1	0	358.361	1.667	20	30		FDEDRO
N#Cc1ccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cn1	ZINC000611908880	554700678	/nfs/dbraw/zinc/70/06/78/554700678.db2.gz	GGYBKACGYBJBAW-IBGZPJMESA-N	1	0	350.422	1.840	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	ZINC000612067907	554729557	/nfs/dbraw/zinc/72/95/57/554729557.db2.gz	NLKGZBLVACVIDJ-SFHVURJKSA-N	1	0	365.518	1.856	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC1CCN(CC#N)CC1	ZINC000613212776	554899879	/nfs/dbraw/zinc/89/98/79/554899879.db2.gz	OPLXPVVCTQGPRY-LPHOPBHVSA-N	1	0	355.486	1.794	20	30		FDEDRO
O=C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000613994658	554995310	/nfs/dbraw/zinc/99/53/10/554995310.db2.gz	AEOXVJJDAOIOBC-GJZGRUSLSA-N	1	0	351.372	1.324	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1	ZINC000615186946	555170683	/nfs/dbraw/zinc/17/06/83/555170683.db2.gz	BAHGGYPVIVPTOH-ZDUSSCGKSA-N	1	0	358.442	1.742	20	30		FDEDRO
N#C[C@@]1(F)CCN(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C1	ZINC000615592562	555216894	/nfs/dbraw/zinc/21/68/94/555216894.db2.gz	RMUHEAHFDIOLMJ-IBGZPJMESA-N	1	0	360.433	1.790	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1	ZINC000617695331	555484057	/nfs/dbraw/zinc/48/40/57/555484057.db2.gz	PMFAQSUGEREJPL-RBUKOAKNSA-N	1	0	359.470	1.340	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NCCN(C)CCC[NH+](C)C)cc2C1=O	ZINC000617768470	555509024	/nfs/dbraw/zinc/50/90/24/555509024.db2.gz	FMTJEXKQLXYTSM-UHFFFAOYSA-N	1	0	372.469	1.082	20	30		FDEDRO
CCN1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1=O	ZINC000619829324	555841503	/nfs/dbraw/zinc/84/15/03/555841503.db2.gz	QWBIHFJHFGVQFC-KRWDZBQOSA-N	1	0	357.458	1.252	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[NH2+][C@H](C(C)C)C2)c1	ZINC000621148156	556037092	/nfs/dbraw/zinc/03/70/92/556037092.db2.gz	IQUMOVFKZNZKSP-INIZCTEOSA-N	1	0	351.472	1.221	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](CO)C1)C(C)C	ZINC000621748997	556148150	/nfs/dbraw/zinc/14/81/50/556148150.db2.gz	PTYKQAJGJARTND-KZNAEPCWSA-N	1	0	365.518	1.278	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C(C)C)C1	ZINC000623862228	556502876	/nfs/dbraw/zinc/50/28/76/556502876.db2.gz	PFDZBGGLMPCYID-SFHVURJKSA-N	1	0	358.486	1.841	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1	ZINC000625410621	556797893	/nfs/dbraw/zinc/79/78/93/556797893.db2.gz	YOUMJMNURZETOJ-UHFFFAOYSA-N	1	0	352.523	1.189	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000625467752	556816431	/nfs/dbraw/zinc/81/64/31/556816431.db2.gz	AHNORMAAGUIONK-KRWDZBQOSA-N	1	0	364.534	1.332	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)C[C@H]1C[NH2+]CCO1	ZINC000631910037	558062985	/nfs/dbraw/zinc/06/29/85/558062985.db2.gz	VJMMCDWSLRTJQQ-LLVKDONJSA-N	1	0	350.893	1.708	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N1CCC(CC)([NH+]2CCCC2)CC1	ZINC000632603915	558187242	/nfs/dbraw/zinc/18/72/42/558187242.db2.gz	PDCWOERSLVZYFD-UHFFFAOYSA-N	1	0	351.491	1.514	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H]4C[NH2+]CC[C@@H]43)cc2C1=O	ZINC000632857575	558225854	/nfs/dbraw/zinc/22/58/54/558225854.db2.gz	VBFGESKNXJKDTB-YOEHRIQHSA-N	1	0	353.422	1.683	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@H]([NH3+])C[C@H]2C)cc1	ZINC000632898768	558229629	/nfs/dbraw/zinc/22/96/29/558229629.db2.gz	WBGQEGIDPGCYCL-CHWSQXEVSA-N	1	0	352.460	1.447	20	30		FDEDRO
C=CCn1c(Cc2cc(C)[nH]n2)nnc1N1CC[NH+](C(C)(C)COC)CC1	ZINC000634336688	558451003	/nfs/dbraw/zinc/45/10/03/558451003.db2.gz	JWRLRXQFJLFIAB-UHFFFAOYSA-N	1	0	373.505	1.633	20	30		FDEDRO
C=CCn1c(Cc2cc(C)[nH]n2)nnc1N1CC[NH+](C2CCOCC2)CC1	ZINC000634337950	558452010	/nfs/dbraw/zinc/45/20/10/558452010.db2.gz	VOXBHHPZBJLKIF-UHFFFAOYSA-N	1	0	371.489	1.387	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)N[C@@H]2CCOC3(CCOCC3)C2)CCSC1	ZINC000330258483	567882632	/nfs/dbraw/zinc/88/26/32/567882632.db2.gz	MMCLMJMJGUBPFG-ZBFHGGJFSA-N	1	0	357.520	1.656	20	30		FDEDRO
CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@]1(C)CCOC1	ZINC000330278130	568094996	/nfs/dbraw/zinc/09/49/96/568094996.db2.gz	PFPTXLWDZGKNMT-VQTJNVASSA-N	1	0	361.486	1.896	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1	ZINC000636808747	568104613	/nfs/dbraw/zinc/10/46/13/568104613.db2.gz	NFYBKLJBHDNACJ-GOSISDBHSA-N	1	0	373.497	1.588	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1	ZINC000636813407	568108192	/nfs/dbraw/zinc/10/81/92/568108192.db2.gz	CFZAPYRRPOHASD-INIZCTEOSA-N	1	0	353.507	1.712	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000637184533	568538173	/nfs/dbraw/zinc/53/81/73/568538173.db2.gz	PEVBAOXNJKWJNK-PKOBYXMFSA-N	1	0	373.497	1.532	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cnn(C)c2C)CC1	ZINC000365392021	568603032	/nfs/dbraw/zinc/60/30/32/568603032.db2.gz	RGIUXLBMAAJMMN-LPHOPBHVSA-N	1	0	373.501	1.405	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)CC1	ZINC000365397840	568613414	/nfs/dbraw/zinc/61/34/14/568613414.db2.gz	VXHLHTSIOOPEEM-MAUKXSAKSA-N	1	0	359.474	1.015	20	30		FDEDRO
C=CC[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccncc1	ZINC000735409805	599100726	/nfs/dbraw/zinc/10/07/26/599100726.db2.gz	LKFUPSAUXQRHHG-SWLSCSKDSA-N	1	0	351.418	1.407	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)COc2ccccc2-c2nn[nH]n2)CC1	ZINC000735399216	598361456	/nfs/dbraw/zinc/36/14/56/598361456.db2.gz	QOFRCOIUBQLLOG-UHFFFAOYSA-N	1	0	356.430	1.402	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)COc2cccc(-c3nn[nH]n3)c2)CC1	ZINC000735398608	598361725	/nfs/dbraw/zinc/36/17/25/598361725.db2.gz	KYYNEQDDWYNESK-UHFFFAOYSA-N	1	0	356.430	1.402	20	30		FDEDRO
COc1ccc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)cc1C#N	ZINC000821813641	599450924	/nfs/dbraw/zinc/45/09/24/599450924.db2.gz	JUFVDDOLGIFBOG-UHFFFAOYSA-N	1	0	350.382	1.916	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1	ZINC000272995739	674495945	/nfs/dbraw/zinc/49/59/45/674495945.db2.gz	RLTDKKUODJHKHZ-UHFFFAOYSA-N	1	0	366.487	1.198	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+]Cc1ccc(OC(=O)C2CC2)c(OC)c1	ZINC000272997855	674496187	/nfs/dbraw/zinc/49/61/87/674496187.db2.gz	YKURYSBLMSNXRX-UHFFFAOYSA-N	1	0	353.440	1.701	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CCCN(c3ccc(-c4nn[nH]n4)nc3)CC2)cc1	ZINC000822825782	606031911	/nfs/dbraw/zinc/03/19/11/606031911.db2.gz	OQVXACQYPIZSMG-UHFFFAOYSA-N	1	0	360.425	1.846	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(C#N)cc1Cl	ZINC000275871363	674654895	/nfs/dbraw/zinc/65/48/95/674654895.db2.gz	NLCBMIFGSVGTAZ-UHFFFAOYSA-N	1	0	361.833	1.844	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CSCCS2)CC1	ZINC000286643665	675897771	/nfs/dbraw/zinc/89/77/71/675897771.db2.gz	NCEHFJLZXDRFEZ-AWEZNQCLSA-N	1	0	357.545	1.108	20	30		FDEDRO
CC[NH+]=C(NCC1CCSCC1)N1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000086833432	671484366	/nfs/dbraw/zinc/48/43/66/671484366.db2.gz	AXJSJRPZYJEMCU-INIZCTEOSA-N	1	0	368.547	1.418	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NC[C@@H](O)c3ccco3)=[NH+]C[C@@H]2C1	ZINC000089120454	671491718	/nfs/dbraw/zinc/49/17/18/671491718.db2.gz	COQNRHCJYXCFFN-CHWSQXEVSA-N	1	0	350.419	1.194	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)cc1Cl	ZINC000091537337	671511499	/nfs/dbraw/zinc/51/14/99/671511499.db2.gz	MEDLOPSOQXCCMC-FZMZJTMJSA-N	1	0	354.838	1.711	20	30		FDEDRO
N#CCSCC(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000287558461	675917765	/nfs/dbraw/zinc/91/77/65/675917765.db2.gz	WPZFTOCGNHEHPT-GOSISDBHSA-N	1	0	358.511	1.662	20	30		FDEDRO
C[C@H](ON=C(N)C[NH+]1CCCCCC1)C(=O)NCc1ccccc1F	ZINC000114630210	671650456	/nfs/dbraw/zinc/65/04/56/671650456.db2.gz	JXHXPLLLLFIWRD-AWEZNQCLSA-N	1	0	350.438	1.995	20	30		FDEDRO
C=C(Br)CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000119031193	671669822	/nfs/dbraw/zinc/66/98/22/671669822.db2.gz	VLJGBIGKKJISHN-KGLIPLIRSA-N	1	0	360.296	1.962	20	30		FDEDRO
C#CCN(CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)C1CCCC1	ZINC000155757175	671946412	/nfs/dbraw/zinc/94/64/12/671946412.db2.gz	AVQBZORFIOZHHW-UHFFFAOYSA-N	1	0	363.483	1.753	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)NCCC2CC[NH+](C)CC2)cc1	ZINC000156399663	671955013	/nfs/dbraw/zinc/95/50/13/671955013.db2.gz	MLXGDQZZWVPAHA-UHFFFAOYSA-N	1	0	363.483	1.060	20	30		FDEDRO
C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@H](O)C1CC1	ZINC000156583793	671957841	/nfs/dbraw/zinc/95/78/41/671957841.db2.gz	BSNFVDZJJJQBLY-INIZCTEOSA-N	1	0	354.372	1.876	20	30		FDEDRO
C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)NC[C@]1(C)CCCS1	ZINC000159239274	671989338	/nfs/dbraw/zinc/98/93/38/671989338.db2.gz	AJMGZOWKEHWOSQ-HNNXBMFYSA-N	1	0	362.565	1.109	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1	ZINC000173055413	672076214	/nfs/dbraw/zinc/07/62/14/672076214.db2.gz	UXWYMLLKTJNTOV-AWEZNQCLSA-N	1	0	365.499	1.304	20	30		FDEDRO
C=CCn1nnn(CN2CCC(OCC[NH+]3CCCC3)CC2)c1=S	ZINC000174100848	672089371	/nfs/dbraw/zinc/08/93/71/672089371.db2.gz	VTWWXTVPONXZNP-UHFFFAOYSA-N	1	0	352.508	1.529	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1	ZINC000177449948	672125734	/nfs/dbraw/zinc/12/57/34/672125734.db2.gz	QHBJJOUXCJBROZ-HZPDHXFCSA-N	1	0	363.483	1.201	20	30		FDEDRO
CC[NH+]=C(NCC1CCOCC1)N1CCN(c2nc(CC)ns2)CC1	ZINC000179049164	672153966	/nfs/dbraw/zinc/15/39/66/672153966.db2.gz	OOCNQMNDHGVZNB-UHFFFAOYSA-N	1	0	366.535	1.615	20	30		FDEDRO
[NH2+]=C(NCc1ccc(N2CCCS2(=O)=O)cc1)N1CCCCCC1	ZINC000185588157	672262005	/nfs/dbraw/zinc/26/20/05/672262005.db2.gz	QBNZLEISJBKMAI-UHFFFAOYSA-N	1	0	350.488	1.917	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1	ZINC000192585676	672356512	/nfs/dbraw/zinc/35/65/12/672356512.db2.gz	PFDIUYOTLPTWNM-GJZGRUSLSA-N	1	0	365.499	1.506	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CC(C)(C)[NH3+])cc1	ZINC000237089169	672420242	/nfs/dbraw/zinc/42/02/42/672420242.db2.gz	YWKTXWWNQBRDAG-XMHGGMMESA-N	1	0	352.460	1.565	20	30		FDEDRO
C[NH+]=C(NCc1nc(C)no1)N1CCC(OC[C@@H]2CCCCO2)CC1	ZINC000261614308	672636095	/nfs/dbraw/zinc/63/60/95/672636095.db2.gz	AOJMQEJUGARVDN-HNNXBMFYSA-N	1	0	351.451	1.504	20	30		FDEDRO
C[NH+]=C(N[C@@H]1C[C@](C)(OC)C1(C)C)N1CCN(C[C@H]2CCOC2)CC1	ZINC000261686237	672650760	/nfs/dbraw/zinc/65/07/60/672650760.db2.gz	IBGLQXIBIAPSGM-MDZRGWNJSA-N	1	0	352.523	1.420	20	30		FDEDRO
CC[NH+]=C(NCCC(F)(F)F)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1	ZINC000261708136	672656213	/nfs/dbraw/zinc/65/62/13/672656213.db2.gz	GZHMUSNUQQZZEJ-CQSZACIVSA-N	1	0	363.384	1.214	20	30		FDEDRO
C[NH+]=C(NCC1(O)CCCC1)N1CCC(OC[C@@H]2CCCCO2)CC1	ZINC000261722209	672658279	/nfs/dbraw/zinc/65/82/79/672658279.db2.gz	KWKSJUAETVSUOX-KRWDZBQOSA-N	1	0	353.507	1.917	20	30		FDEDRO
C[NH+]=C(NCCC(C)(C)C)N1CCN(S(=O)(=O)Cc2ccon2)CC1	ZINC000261812965	672676491	/nfs/dbraw/zinc/67/64/91/672676491.db2.gz	SVMRLAPYICXVMI-UHFFFAOYSA-N	1	0	371.507	1.134	20	30		FDEDRO
COCC1(CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC[NH2+]CC1	ZINC000261915497	672693055	/nfs/dbraw/zinc/69/30/55/672693055.db2.gz	QTOYITIQLHFRCT-UHFFFAOYSA-N	1	0	357.863	1.506	20	30		FDEDRO
C[NH+]=C(NCCOc1ccc(F)cc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261940456	672697928	/nfs/dbraw/zinc/69/79/28/672697928.db2.gz	DLPQSALOMLKJTM-UHFFFAOYSA-N	1	0	357.451	1.289	20	30		FDEDRO
CC[NH+]=C(NCc1ccccc1OC)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261974475	672705474	/nfs/dbraw/zinc/70/54/74/672705474.db2.gz	NKYWCIVVJJJDPM-UHFFFAOYSA-N	1	0	353.488	1.670	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)c1ccccc1)N1CC[C@@]2(CCOC2)C1	ZINC000261978636	672705887	/nfs/dbraw/zinc/70/58/87/672705887.db2.gz	OHQFWXFWQIZLRQ-QGZVFWFLSA-N	1	0	351.472	1.148	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCN(CC(F)(F)F)C1)N1CC[C@@]2(CCOC2)C1	ZINC000261995614	672708431	/nfs/dbraw/zinc/70/84/31/672708431.db2.gz	SIBSYKJUHOGBCR-GOEBONIOSA-N	1	0	362.440	1.949	20	30		FDEDRO
[NH2+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000261997311	672708832	/nfs/dbraw/zinc/70/88/32/672708832.db2.gz	OGJZEBAJNJZTQH-CYBMUJFWSA-N	1	0	370.906	1.211	20	30		FDEDRO
CC[NH+]=C(NC[C@H](OC)c1ccccc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000262009087	672711303	/nfs/dbraw/zinc/71/13/03/672711303.db2.gz	WEOXIGODYWDHJN-INIZCTEOSA-N	1	0	367.515	1.849	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1cc(Cl)c2c(c1)OCCO2	ZINC000262014353	672711817	/nfs/dbraw/zinc/71/18/17/672711817.db2.gz	VKCWXTNMXWMVTR-UHFFFAOYSA-N	1	0	368.865	1.108	20	30		FDEDRO
C[NH+]=C(NCc1cnc(N(C)C)n1C)N(C)Cc1cc(Cl)cn1C	ZINC000262018525	672712668	/nfs/dbraw/zinc/71/26/68/672712668.db2.gz	YIKKITNYJWZHOX-UHFFFAOYSA-N	1	0	351.886	1.685	20	30		FDEDRO
[NH2+]=C(NCC(=O)N1CCCCC1)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000262025724	672713983	/nfs/dbraw/zinc/71/39/83/672713983.db2.gz	ZGCWWXUDHVHLOE-UHFFFAOYSA-N	1	0	363.893	1.789	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(N[C@@H]2CCc3ccccc3C2)=[NH+]C2CC2)C1	ZINC000262250071	672754826	/nfs/dbraw/zinc/75/48/26/672754826.db2.gz	QJRMJBVEDOIKQA-RDTXWAMCSA-N	1	0	361.511	1.676	20	30		FDEDRO
CC[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N(C)Cc1ccc2c(c1)OCO2	ZINC000262293809	672763538	/nfs/dbraw/zinc/76/35/38/672763538.db2.gz	YCVYWFNAOMBBAH-CQSZACIVSA-N	1	0	367.471	1.247	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(=[NH+]C2CC2)N2CCc3cc(F)ccc3C2)C1	ZINC000262369040	672777812	/nfs/dbraw/zinc/77/78/12/672777812.db2.gz	IGFCDASUAQAQFY-CYBMUJFWSA-N	1	0	365.474	1.727	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@]1(C)OCCc2sccc21	ZINC000262406134	672784362	/nfs/dbraw/zinc/78/43/62/672784362.db2.gz	WNPVTGYUBCEPGO-KRWDZBQOSA-N	1	0	352.504	1.033	20	30		FDEDRO
C=CCNC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2	ZINC000262451212	672791872	/nfs/dbraw/zinc/79/18/72/672791872.db2.gz	VZFMFVMJFPQKEW-CAOSSQGBSA-N	1	0	367.515	1.100	20	30		FDEDRO
C[NH+]=C(NCC1(C(=O)N(C)C)CCCC1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C	ZINC000262459344	672793377	/nfs/dbraw/zinc/79/33/77/672793377.db2.gz	XFJMSIPRJFEBCQ-RRFJBIMHSA-N	1	0	350.507	1.614	20	30		FDEDRO
C[NH+]=C(NCc1cn2cc(Cl)ccc2n1)NC[C@@H](O)c1cnn(C)c1	ZINC000262490262	672797922	/nfs/dbraw/zinc/79/79/22/672797922.db2.gz	ZHWZEXSUSQGUER-CQSZACIVSA-N	1	0	361.837	1.120	20	30		FDEDRO
CC(C)NS(=O)(=O)Cc1ccccc1CNC(=[NH2+])N1CCO[C@@H](C)C1	ZINC000262502256	672800209	/nfs/dbraw/zinc/80/02/09/672800209.db2.gz	YUIZYTPHWSUIBA-AWEZNQCLSA-N	1	0	368.503	1.050	20	30		FDEDRO
[NH2+]=C(NCCS(=O)(=O)N1CCSCC1)Nc1ccc2c(c1)CCC2	ZINC000262547825	672805857	/nfs/dbraw/zinc/80/58/57/672805857.db2.gz	WCSUKYNVULCYST-UHFFFAOYSA-N	1	0	368.528	1.281	20	30		FDEDRO
CS(=O)(=O)N1CCCC[C@@H]1CNC(=[NH2+])N[C@H]1CCOc2ccccc21	ZINC000262628046	672821070	/nfs/dbraw/zinc/82/10/70/672821070.db2.gz	DZOCCAXMIRVTKD-HIFRSBDPSA-N	1	0	366.487	1.229	20	30		FDEDRO
C[C@H]1C[NH+]=C(NCC(=O)Nc2ccc(I)cc2)N1	ZINC000262664817	672827712	/nfs/dbraw/zinc/82/77/12/672827712.db2.gz	OGCSBXIZWHBYEH-QMMMGPOBSA-N	1	0	358.183	1.167	20	30		FDEDRO
C[NH+]=C(NCCNS(=O)(=O)c1ccc(C)cc1)NCc1ccco1	ZINC000264063844	672899965	/nfs/dbraw/zinc/89/99/65/672899965.db2.gz	QBXZLHCWQVEEAT-UHFFFAOYSA-N	1	0	350.444	1.232	20	30		FDEDRO
C=CCOc1cccc(C[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)c1	ZINC000264782171	672924998	/nfs/dbraw/zinc/92/49/98/672924998.db2.gz	YMWGFHIQMSTCHW-GOSISDBHSA-N	1	0	368.499	1.830	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1	ZINC000267234726	673275296	/nfs/dbraw/zinc/27/52/96/673275296.db2.gz	AUVIKCUUUGKAJY-KRWDZBQOSA-N	1	0	362.455	1.059	20	30		FDEDRO
Cc1cc(C)cc(NC(=[NH2+])NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1	ZINC000267470446	673307112	/nfs/dbraw/zinc/30/71/12/673307112.db2.gz	XPBVDXBJPFYDSL-INIZCTEOSA-N	1	0	368.503	1.519	20	30		FDEDRO
C[C@@H](O)C[N@H+](CCO)CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000289384315	676127639	/nfs/dbraw/zinc/12/76/39/676127639.db2.gz	CPFXIVMLESVXMO-GFCCVEGCSA-N	1	0	351.472	1.502	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2cncc(C#N)c2)C[C@@H]1[NH+]1CCCC1	ZINC000289605793	676157538	/nfs/dbraw/zinc/15/75/38/676157538.db2.gz	YAXZCAWOOSZBLI-LSDHHAIUSA-N	1	0	352.485	1.154	20	30		FDEDRO
COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000289640102	676161877	/nfs/dbraw/zinc/16/18/77/676161877.db2.gz	BXDYQMRTGZXYDL-YOEHRIQHSA-N	1	0	365.455	1.438	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[NH+](C)C	ZINC000281897390	675574847	/nfs/dbraw/zinc/57/48/47/675574847.db2.gz	IOYANPMUEBRVGY-SECBINFHSA-N	1	0	358.320	1.462	20	30		FDEDRO
CC[NH+](CC)Cc1ccc(CNS(=O)(=O)N(C)C[C@@H](C)C#N)cc1	ZINC000282993594	675646346	/nfs/dbraw/zinc/64/63/46/675646346.db2.gz	YFJFIGBKVQHNAZ-HNNXBMFYSA-N	1	0	352.504	1.954	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1	ZINC000284637955	675736273	/nfs/dbraw/zinc/73/62/73/675736273.db2.gz	CEAANKNSLPPHKB-UHFFFAOYSA-N	1	0	351.516	1.665	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCC2(S(C)(=O)=O)CCCC2)cc1	ZINC000284970334	675773750	/nfs/dbraw/zinc/77/37/50/675773750.db2.gz	GDSZKSVBBJFNGC-UHFFFAOYSA-N	1	0	353.488	1.499	20	30		FDEDRO
CN(C[C@H]1CCC[N@H+](CCOc2ccc(C#N)cc2)C1)S(C)(=O)=O	ZINC000285563441	675834418	/nfs/dbraw/zinc/83/44/18/675834418.db2.gz	JSKIGRULTHMLTC-MRXNPFEDSA-N	1	0	351.472	1.540	20	30		FDEDRO
CC(C)NS(=O)(=O)CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1	ZINC000286019605	675862197	/nfs/dbraw/zinc/86/21/97/675862197.db2.gz	JPRGTJSWMCYWJJ-UHFFFAOYSA-N	1	0	350.488	1.444	20	30		FDEDRO
CN(CCC#N)c1ccc(C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)cc1	ZINC000292890086	676325597	/nfs/dbraw/zinc/32/55/97/676325597.db2.gz	YVBXAVONPRASHO-KRWDZBQOSA-N	1	0	350.488	1.502	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNC(=O)C(=O)Nc2sccc2C#N)CCCO1	ZINC000294395599	676383348	/nfs/dbraw/zinc/38/33/48/676383348.db2.gz	SEDSAUVAMZBQNB-LBPRGKRZSA-N	1	0	350.444	1.175	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)c1ccc(S(=O)(=O)CC)cc1	ZINC000296713063	676420359	/nfs/dbraw/zinc/42/03/59/676420359.db2.gz	VXDPEXWOZRNTPJ-OAHLLOKOSA-N	1	0	365.499	1.796	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCCN(c2nc(C)ns2)CC1	ZINC000296978259	676422344	/nfs/dbraw/zinc/42/23/44/676422344.db2.gz	RYWSNPKESIHAGF-UHFFFAOYSA-N	1	0	350.492	1.023	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(C)C	ZINC000298481092	676467686	/nfs/dbraw/zinc/46/76/86/676467686.db2.gz	HGMKKBAQPXTDES-INIZCTEOSA-N	1	0	368.503	1.101	20	30		FDEDRO
CN(C)C(NCc1ccc(S(N)(=O)=O)s1)=[NH+]Cc1ccccc1	ZINC000303776968	676542897	/nfs/dbraw/zinc/54/28/97/676542897.db2.gz	IEGYHEPWFFVMEP-UHFFFAOYSA-N	1	0	352.485	1.603	20	30		FDEDRO
COC(=O)CCCCCNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1	ZINC000303772991	676542921	/nfs/dbraw/zinc/54/29/21/676542921.db2.gz	DYVLUWYCUJKFMB-UHFFFAOYSA-N	1	0	350.438	1.996	20	30		FDEDRO
CCCC[NH+]=C(NCCCNS(C)(=O)=O)NCc1ccc(C)cc1	ZINC000303907237	676543788	/nfs/dbraw/zinc/54/37/88/676543788.db2.gz	WTCFQELTTKTMAM-UHFFFAOYSA-N	1	0	354.520	1.770	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NCC(=O)Nc1cc(Br)ccc1C	ZINC000303968981	676543992	/nfs/dbraw/zinc/54/39/92/676543992.db2.gz	BFSCVGZDWSIGAC-SNVBAGLBSA-N	1	0	357.252	1.635	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NCCS(=O)(=O)NCC2CCC2)cc1Cl	ZINC000304755409	676544381	/nfs/dbraw/zinc/54/43/81/676544381.db2.gz	MSJAKSDWJSPYGR-UHFFFAOYSA-N	1	0	374.894	1.795	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NCCS(=O)(=O)NCC2CCC2)cc1OC	ZINC000304746560	676544439	/nfs/dbraw/zinc/54/44/39/676544439.db2.gz	FWJJWHJQVWGBKV-UHFFFAOYSA-N	1	0	370.475	1.150	20	30		FDEDRO
O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000328696771	676602760	/nfs/dbraw/zinc/60/27/60/676602760.db2.gz	KZVWQKDPWYMSFF-HUUCEWRRSA-N	1	0	350.463	1.596	20	30		FDEDRO
CC1CC[NH+](C[C@H](O)CNC(=O)c2coc(C3CCOCC3)n2)CC1	ZINC000328759031	676605522	/nfs/dbraw/zinc/60/55/22/676605522.db2.gz	WLCPBNDJZUAMLS-OAHLLOKOSA-N	1	0	351.447	1.966	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC1	ZINC000328850028	676609536	/nfs/dbraw/zinc/60/95/36/676609536.db2.gz	BKOGFJYPIFKVDB-XPKDYRNWSA-N	1	0	352.479	1.575	20	30		FDEDRO
CN1CCO[C@@H](C(=O)N[C@H]2CCO[C@@H]2c2cncc(Br)c2)C1	ZINC000328917093	676611905	/nfs/dbraw/zinc/61/19/05/676611905.db2.gz	ROFHQESXPQNQAN-BFHYXJOUSA-N	1	0	370.247	1.961	20	30		FDEDRO
CC[N@@H+]1C[C@H](C)N(C([O-])=[NH+][C@@H]2CCc3nc(COC)nn3C2)C[C@@H]1C	ZINC000328943711	676613169	/nfs/dbraw/zinc/61/31/69/676613169.db2.gz	AKQDCDRFLPPMET-MELADBBJSA-N	1	0	350.467	1.068	20	30		FDEDRO
C[C@@H]1CN(Cc2csc(NC(=O)N3CC[C@@H]([NH+](C)C)C3)n2)C[C@H](C)O1	ZINC000328955460	676613753	/nfs/dbraw/zinc/61/37/53/676613753.db2.gz	YYSHBGAQFMOUSS-VNHYZAJKSA-N	1	0	367.519	1.934	20	30		FDEDRO
CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000329000566	676615701	/nfs/dbraw/zinc/61/57/01/676615701.db2.gz	HKYIVCXDQLVPMH-FXXCCUJSSA-N	1	0	351.491	1.899	20	30		FDEDRO
C[C@H](CN1CCOCC1)C(=O)Nc1nc(CN2CCOCC2)cs1	ZINC000329041984	676617069	/nfs/dbraw/zinc/61/70/69/676617069.db2.gz	ILTJFHIILSOABP-CYBMUJFWSA-N	1	0	354.476	1.532	20	30		FDEDRO
C[C@H](NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O)C1=CC[N@H+](C)CC1	ZINC000329081958	676618855	/nfs/dbraw/zinc/61/88/55/676618855.db2.gz	RZDPWJVNGIIXSM-RMRDIRSESA-N	1	0	351.491	1.803	20	30		FDEDRO
CN1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCOC4(CCOCC4)C3)C[C@@H]21	ZINC000329095586	676619693	/nfs/dbraw/zinc/61/96/93/676619693.db2.gz	XYGQRNVUKLSSSJ-OWCLPIDISA-N	1	0	353.463	1.034	20	30		FDEDRO
C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1	ZINC000329135868	676622124	/nfs/dbraw/zinc/62/21/24/676622124.db2.gz	GOYXJFLGTOTBKU-SOLBZPMBSA-N	1	0	355.479	1.281	20	30		FDEDRO
CC(=O)Nc1nc(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)cs1	ZINC000329193829	676624437	/nfs/dbraw/zinc/62/44/37/676624437.db2.gz	SQFTUZJVRICXJC-CYBMUJFWSA-N	1	0	365.459	1.751	20	30		FDEDRO
CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)C1	ZINC000329263989	676629521	/nfs/dbraw/zinc/62/95/21/676629521.db2.gz	GNZZQURVKOCMFX-INMHGKMJSA-N	1	0	373.519	1.053	20	30		FDEDRO
CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)C1	ZINC000329263983	676629525	/nfs/dbraw/zinc/62/95/25/676629525.db2.gz	GNZZQURVKOCMFX-BFYDXBDKSA-N	1	0	373.519	1.053	20	30		FDEDRO
O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1	ZINC000329306175	676632293	/nfs/dbraw/zinc/63/22/93/676632293.db2.gz	XVDJLGLZVDNQMM-FVQBIDKESA-N	1	0	370.519	1.073	20	30		FDEDRO
CC1CCC(N2C[C@H](C(=O)NC[C@H]3C[N@H+](C)CCN3C)CC2=O)CC1	ZINC000329395585	676636955	/nfs/dbraw/zinc/63/69/55/676636955.db2.gz	XCJHAZZSEYVKSX-MYBQVCMBSA-N	1	0	350.507	1.616	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)CCC1	ZINC000329506788	676641698	/nfs/dbraw/zinc/64/16/98/676641698.db2.gz	WVUUJEGSMNRDOO-OAHLLOKOSA-N	1	0	351.495	1.655	20	30		FDEDRO
C[C@]12CCC(=O)N1[C@H](C(=O)NC1CC[NH+](C[C@H]3CCOC3)CC1)CS2	ZINC000329572823	676644673	/nfs/dbraw/zinc/64/46/73/676644673.db2.gz	JGNVHTOPKPQPDP-XUWXXGDYSA-N	1	0	367.515	1.898	20	30		FDEDRO
CC(C)[NH+]1CCN(C2CCN(S(=O)(=O)CC3(C#N)CC3)CC2)CC1	ZINC000329636701	676647370	/nfs/dbraw/zinc/64/73/70/676647370.db2.gz	VHIBJOOBHZWDRF-UHFFFAOYSA-N	1	0	354.520	1.110	20	30		FDEDRO
C[C@H](NC(=O)N1CCS(=O)(=O)C2(CCCCC2)C1)C1=CC[N@H+](C)CC1	ZINC000329702169	676650359	/nfs/dbraw/zinc/65/03/59/676650359.db2.gz	HWKVCPYXFPJMMR-HNNXBMFYSA-N	1	0	369.531	1.984	20	30		FDEDRO
CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)C1	ZINC000329744923	676652449	/nfs/dbraw/zinc/65/24/49/676652449.db2.gz	YDKQEOQKNJRCEZ-ANQUJSFKSA-N	1	0	352.479	1.983	20	30		FDEDRO
O=C(NC[C@H]1CCCCS1(=O)=O)N1CCC[C@@H]1C[NH+]1CCCCC1	ZINC000329765041	676653851	/nfs/dbraw/zinc/65/38/51/676653851.db2.gz	WMZNQEZVUUCGHV-HZPDHXFCSA-N	1	0	357.520	1.818	20	30		FDEDRO
C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC1CCN(S(C)(=O)=O)CC1	ZINC000329790162	676656393	/nfs/dbraw/zinc/65/63/93/676656393.db2.gz	SVVPVXJQGVBBPP-AWEZNQCLSA-N	1	0	374.551	1.234	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CC[C@@]2(CCOC2)C1	ZINC000329793510	676656838	/nfs/dbraw/zinc/65/68/38/676656838.db2.gz	FRZJDPMEQLUQOT-BLLLJJGKSA-N	1	0	353.444	1.423	20	30		FDEDRO
CC(C)(C)c1nnc(CNC(=O)NCCN2CCOC(C)(C)C2)s1	ZINC000329806482	676657853	/nfs/dbraw/zinc/65/78/53/676657853.db2.gz	NYJCQAHOIZYRIK-UHFFFAOYSA-N	1	0	355.508	1.950	20	30		FDEDRO
O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N[C@@H]1CCCS(=O)(=O)C1	ZINC000329813759	676658408	/nfs/dbraw/zinc/65/84/08/676658408.db2.gz	DNHUUOBDGJLKOY-OAHLLOKOSA-N	1	0	366.487	1.379	20	30		FDEDRO
CO[C@H]1C[C@H](C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)N(S(C)(=O)=O)C1	ZINC000329835363	676659726	/nfs/dbraw/zinc/65/97/26/676659726.db2.gz	HIVZFCDLYIENID-APIJFGDWSA-N	1	0	361.508	1.112	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)C12CCOCC2	ZINC000329925836	676663905	/nfs/dbraw/zinc/66/39/05/676663905.db2.gz	KDDMJGDNEYYTTO-VVLHAWIVSA-N	1	0	351.491	1.901	20	30		FDEDRO
O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)N[C@@H]1CC[S@@](=O)C1	ZINC000329997227	676668168	/nfs/dbraw/zinc/66/81/68/676668168.db2.gz	QDHVHODVQJLYIX-CPJLOUKISA-N	1	0	365.499	1.168	20	30		FDEDRO
O=C(NCC1([NH+]2CCSCC2)CCCC1)c1cn([C@H]2CCOC2)nn1	ZINC000330038988	676669820	/nfs/dbraw/zinc/66/98/20/676669820.db2.gz	BTPZYUSYVSOIIE-AWEZNQCLSA-N	1	0	365.503	1.906	20	30		FDEDRO
Cc1noc(C2CCN(C(=O)NC[C@@]3([NH+](C)C)CCSC3)CC2)n1	ZINC000330132562	676674626	/nfs/dbraw/zinc/67/46/26/676674626.db2.gz	GDOORTPZCBCWRZ-INIZCTEOSA-N	1	0	353.492	1.909	20	30		FDEDRO
C[NH+](C)[C@@]1(CNC(=O)N2CCC(CS(C)(=O)=O)CC2)CCSC1	ZINC000330162119	676676071	/nfs/dbraw/zinc/67/60/71/676676071.db2.gz	AECGUMMAHWDVIT-OAHLLOKOSA-N	1	0	363.549	1.094	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CCO[C@]2(CCSC2)C1	ZINC000330203226	676678086	/nfs/dbraw/zinc/67/80/86/676678086.db2.gz	BWQGPXIEKORYLZ-BFYDXBDKSA-N	1	0	356.536	1.181	20	30		FDEDRO
C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)N[C@@H]1CCOC2(CCSCC2)C1	ZINC000330213081	676678952	/nfs/dbraw/zinc/67/89/52/676678952.db2.gz	KRCKJVWBYNRKGF-BZUAXINKSA-N	1	0	371.547	1.732	20	30		FDEDRO
C[NH+](C)[C@@]1(CNC(=O)N2CCN(C(C)(C)C(N)=O)CC2)CCSC1	ZINC000330259370	676681713	/nfs/dbraw/zinc/68/17/13/676681713.db2.gz	NIBPUXMMZICSGV-MRXNPFEDSA-N	1	0	357.524	1.269	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[NH+](CC2CCCCC2)CC1	ZINC000330371064	676685681	/nfs/dbraw/zinc/68/56/81/676685681.db2.gz	HMSKIEYFIMNMRB-INIZCTEOSA-N	1	0	356.536	1.911	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC(=O)N(C)[C@H](C)C2)[C@@H](C)C1	ZINC000330397022	676688825	/nfs/dbraw/zinc/68/88/25/676688825.db2.gz	BLXOCEWZCJHZIU-XHSDSOJGSA-N	1	0	354.495	1.200	20	30		FDEDRO
CC(=O)Nc1ccc(F)c(NC(=O)N2CCC([N@H+](C)CCO)CC2)c1	ZINC000330702993	676701202	/nfs/dbraw/zinc/70/12/02/676701202.db2.gz	IUTQWRCRDMMMQC-UHFFFAOYSA-N	1	0	352.410	1.718	20	30		FDEDRO
O=C(NCC1CC[NH+](CCO)CC1)Nc1ccncc1Br	ZINC000330770998	676703632	/nfs/dbraw/zinc/70/36/32/676703632.db2.gz	BSRSIAAYMYESPA-UHFFFAOYSA-N	1	0	357.252	1.296	20	30		FDEDRO
CCC(O)(CC)CCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000330973057	676712074	/nfs/dbraw/zinc/71/20/74/676712074.db2.gz	DDHROXHLMHGWKH-OAHLLOKOSA-N	1	0	354.495	1.080	20	30		FDEDRO
Cc1ccc(NC(=O)N2C[C@@H](C)O[C@H](CO)C2)c(OCC[NH+](C)C)c1	ZINC000330990798	676712961	/nfs/dbraw/zinc/71/29/61/676712961.db2.gz	SHSPQLZRNCMWFS-CABCVRRESA-N	1	0	351.447	1.563	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCCC[C@H]1CN1CCOCC1	ZINC000331267620	676724870	/nfs/dbraw/zinc/72/48/70/676724870.db2.gz	JQIACFIGMWEVSU-AOIWGVFYSA-N	1	0	350.507	1.616	20	30		FDEDRO
C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1	ZINC000332185478	676737094	/nfs/dbraw/zinc/73/70/94/676737094.db2.gz	OKJDYSUBOUHQQJ-CYBMUJFWSA-N	1	0	358.833	2.565	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@H](C[NH+]2CCCCCC2)C1	ZINC000332249194	676738407	/nfs/dbraw/zinc/73/84/07/676738407.db2.gz	XQDKYEYXQMLYFZ-IAGOWNOFSA-N	1	0	350.507	1.975	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1	ZINC000332592921	676743329	/nfs/dbraw/zinc/74/33/29/676743329.db2.gz	FQMUDZABZOICFY-ZBFHGGJFSA-N	1	0	363.483	1.460	20	30		FDEDRO
CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1CCC(=O)Nc1sccc1C#N	ZINC000364338182	677008875	/nfs/dbraw/zinc/00/88/75/677008875.db2.gz	OQFMYCIKTTZRST-KBPBESRZSA-N	1	0	365.455	1.991	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2OCC)CC1	ZINC000422290242	680705062	/nfs/dbraw/zinc/70/50/62/680705062.db2.gz	AJLMPQTXYCHKPM-IAGOWNOFSA-N	1	0	351.491	1.607	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1C#N	ZINC000366639326	677456319	/nfs/dbraw/zinc/45/63/19/677456319.db2.gz	MIKDITMKFQZHBR-HYVNUMGLSA-N	1	0	363.483	1.739	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCC(=O)N(C)[C@H]2c2cccs2)CC1	ZINC000367503569	677493048	/nfs/dbraw/zinc/49/30/48/677493048.db2.gz	UORXZJMPRBAOLO-MAUKXSAKSA-N	1	0	359.495	1.871	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC1CC[NH+](CCc2ccncc2)CC1	ZINC000368520346	677500200	/nfs/dbraw/zinc/50/02/00/677500200.db2.gz	UILNCDHYKXEELX-OAHLLOKOSA-N	1	0	365.503	1.014	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC(CC[NH+]2CCOCC2)CC1	ZINC000369118614	677503275	/nfs/dbraw/zinc/50/32/75/677503275.db2.gz	VVMPHZMUXQCPDV-INIZCTEOSA-N	1	0	372.535	1.147	20	30		FDEDRO
CCCCCCC[NH+]1CCC([C@@H](O)c2cn(C)c(=O)n(C)c2=O)CC1	ZINC000371106143	677647445	/nfs/dbraw/zinc/64/74/45/677647445.db2.gz	IVJKSSCVXIGFMC-QGZVFWFLSA-N	1	0	351.491	1.800	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccc(Cl)c1	ZINC000373180742	678041881	/nfs/dbraw/zinc/04/18/81/678041881.db2.gz	WEPLAUUQBJJITL-YOEHRIQHSA-N	1	0	364.877	1.934	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000374231147	678074778	/nfs/dbraw/zinc/07/47/78/678074778.db2.gz	UQSYNVOZGKKYGE-BLLLJJGKSA-N	1	0	362.861	1.991	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N1CCCC[C@H]([NH+]2CCCC2)C1	ZINC000374456043	678081921	/nfs/dbraw/zinc/08/19/21/678081921.db2.gz	HULUBUZJPQGHIB-INIZCTEOSA-N	1	0	358.508	1.044	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1	ZINC000374463302	678083491	/nfs/dbraw/zinc/08/34/91/678083491.db2.gz	UIVYQXKSWHVHPE-HNNXBMFYSA-N	1	0	372.535	1.072	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N[C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C	ZINC000374880133	678092895	/nfs/dbraw/zinc/09/28/95/678092895.db2.gz	KSYQQHUKALLCJL-IUODEOHRSA-N	1	0	365.503	1.263	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)ccc1F	ZINC000375261170	678098557	/nfs/dbraw/zinc/09/85/57/678098557.db2.gz	WZYGOJMDHMDBPX-BTTYYORXSA-N	1	0	367.446	1.384	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1CCN(CC[N@@H+]2CCCOCC2)CC1)OCC	ZINC000376049925	678218326	/nfs/dbraw/zinc/21/83/26/678218326.db2.gz	HVEPKLSGCFSUBW-SFHVURJKSA-N	1	0	353.507	1.224	20	30		FDEDRO
N#Cc1ccc(S(N)(=O)=O)cc1NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1	ZINC000376219609	678246755	/nfs/dbraw/zinc/24/67/55/678246755.db2.gz	GCUJOSWXJMPUNZ-PBHICJAKSA-N	1	0	364.471	1.118	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC1CC[NH+](C2CCC(C)CC2)CC1	ZINC000376384796	678292567	/nfs/dbraw/zinc/29/25/67/678292567.db2.gz	JMLTXJHDMKIVMG-CKDBGZEDSA-N	1	0	356.536	1.955	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)N1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1	ZINC000376409970	678297747	/nfs/dbraw/zinc/29/77/47/678297747.db2.gz	OCUTZVFWPARKBM-GOEBONIOSA-N	1	0	357.520	1.682	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2C[C@@H](OC)C[C@@H]2CC(=O)OCC)CC1	ZINC000376922317	678405234	/nfs/dbraw/zinc/40/52/34/678405234.db2.gz	JAEIYOMIUYJOJI-CVEARBPZSA-N	1	0	353.463	1.389	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@@H]2C[N@H+](C)[C@@H](c3ccccc3)[C@@H]2C1	ZINC000376985305	678419548	/nfs/dbraw/zinc/41/95/48/678419548.db2.gz	LXCNYKJDDOVSBM-SPUZQDLCSA-N	1	0	362.499	1.557	20	30		FDEDRO
CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)N1CCO[C@H](C#N)C1	ZINC000409594175	678866112	/nfs/dbraw/zinc/86/61/12/678866112.db2.gz	HEQNTRPIODIXAG-QGZVFWFLSA-N	1	0	366.487	1.086	20	30		FDEDRO
CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)N1CCO[C@H](C#N)C1	ZINC000410149698	678886366	/nfs/dbraw/zinc/88/63/66/678886366.db2.gz	JSZOKRRDJUPENB-QGZVFWFLSA-N	1	0	366.487	1.039	20	30		FDEDRO
COC(=O)[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2C#N)CC[N@H+](C)C1	ZINC000411910391	679093451	/nfs/dbraw/zinc/09/34/51/679093451.db2.gz	GNOGEVIVKQKFJL-ZDUSSCGKSA-N	1	0	364.833	1.187	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N(CC[NH+](C)C)C2CC2)c1	ZINC000414467686	679353604	/nfs/dbraw/zinc/35/36/04/679353604.db2.gz	WZTQLFDZXRWHLS-UHFFFAOYSA-N	1	0	351.472	1.317	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC[NH2+]CCC)cc1	ZINC000414897206	679373142	/nfs/dbraw/zinc/37/31/42/679373142.db2.gz	QPWFBQGTBCKZRR-UHFFFAOYSA-N	1	0	354.476	1.614	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCCC[C@H]2C[NH3+])cc1	ZINC000414896115	679373166	/nfs/dbraw/zinc/37/31/66/679373166.db2.gz	OFYQWPVBUQUFCQ-HNNXBMFYSA-N	1	0	366.487	1.838	20	30		FDEDRO
C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1	ZINC000415360071	679414091	/nfs/dbraw/zinc/41/40/91/679414091.db2.gz	LPXJKDXNRIKAKK-LBPRGKRZSA-N	1	0	365.231	1.470	20	30		FDEDRO
C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000415492113	679439343	/nfs/dbraw/zinc/43/93/43/679439343.db2.gz	KWNGBFHJGFJLCG-GFCCVEGCSA-N	1	0	354.332	1.726	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC[C@H]2CCC[NH2+]C2)cc1	ZINC000415596669	679461345	/nfs/dbraw/zinc/46/13/45/679461345.db2.gz	IEXRLJRUEZPHOJ-ZIAGYGMSSA-N	1	0	364.471	1.884	20	30		FDEDRO
CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1	ZINC000415598241	679461622	/nfs/dbraw/zinc/46/16/22/679461622.db2.gz	KJDVNDAGYXALTJ-MLGOLLRUSA-N	1	0	352.460	1.867	20	30		FDEDRO
N#CCc1ccc(NC(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c(Cl)c1	ZINC000415734784	679488750	/nfs/dbraw/zinc/48/87/50/679488750.db2.gz	XVKNRWYPUHOBGR-GOSISDBHSA-N	1	0	360.845	1.947	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1Cl	ZINC000415825869	679516261	/nfs/dbraw/zinc/51/62/61/679516261.db2.gz	ZDMADMKCVQHCRP-ZIAGYGMSSA-N	1	0	360.845	1.998	20	30		FDEDRO
C=C(CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1	ZINC000418207666	680024996	/nfs/dbraw/zinc/02/49/96/680024996.db2.gz	PUIQIZHRQIQUOJ-OAHLLOKOSA-N	1	0	356.392	1.835	20	30		FDEDRO
Cc1sc(NC(=O)CN2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)c(C#N)c1C	ZINC000419344594	680240804	/nfs/dbraw/zinc/24/08/04/680240804.db2.gz	SDBKEGOVRJDUGH-NEPJUHHUSA-N	1	0	350.488	1.562	20	30		FDEDRO
C[C@@H]1C[N@H+](CCO)[C@H](C)CN1CC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000419350836	680242516	/nfs/dbraw/zinc/24/25/16/680242516.db2.gz	ZVFBDJKIONCAOY-CHWSQXEVSA-N	1	0	350.850	1.537	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)c1ccc(F)c(F)c1	ZINC000419683027	680319603	/nfs/dbraw/zinc/31/96/03/680319603.db2.gz	UUJZSHYOFBTDQM-OZVIIMIRSA-N	1	0	351.397	1.894	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1	ZINC000419797064	680359040	/nfs/dbraw/zinc/35/90/40/680359040.db2.gz	QUYKCZABELFQQX-UHFFFAOYSA-N	1	0	352.341	1.309	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N1C[C@H]2C[NH2+]C[C@H]2C1	ZINC000420434965	680449006	/nfs/dbraw/zinc/44/90/06/680449006.db2.gz	LLFLXXCRRALBQO-AOOOYVTPSA-N	1	0	356.245	1.161	20	30		FDEDRO
C[C@H]1C[C@@H](O)CC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000429161737	681025471	/nfs/dbraw/zinc/02/54/71/681025471.db2.gz	QUCJRGDFQABBEB-JYJNAYRXSA-N	1	0	362.499	1.302	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN(CC)C(=O)[C@@H]1C)C(C)C	ZINC000429939661	681057420	/nfs/dbraw/zinc/05/74/20/681057420.db2.gz	HNZAQUWZVHIKEZ-DLBZAZTESA-N	1	0	350.507	1.947	20	30		FDEDRO
C[N@H+](Cc1cccc(OCCCC#N)c1)[C@@H]1CCN(S(C)(=O)=O)C1	ZINC000430090904	681062606	/nfs/dbraw/zinc/06/26/06/681062606.db2.gz	UPPKODMPNRBXQQ-MRXNPFEDSA-N	1	0	351.472	1.835	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1	ZINC000430411847	681075899	/nfs/dbraw/zinc/07/58/99/681075899.db2.gz	VVKUTENPXXFXDN-ULQDDVLXSA-N	1	0	351.491	1.322	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(F)c(C#N)c2)CCCO1	ZINC000432296939	681150818	/nfs/dbraw/zinc/15/08/18/681150818.db2.gz	HNBVIJLWGOPRQD-CYBMUJFWSA-N	1	0	355.435	1.477	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+](CCO)C2CCC2)CC1	ZINC000439271115	681919489	/nfs/dbraw/zinc/91/94/89/681919489.db2.gz	IIMAHQAATWDGDX-MRXNPFEDSA-N	1	0	362.499	1.304	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c1	ZINC000440348155	681989344	/nfs/dbraw/zinc/98/93/44/681989344.db2.gz	XCSSKNKXNXSAEB-ZFWWWQNUSA-N	1	0	351.472	1.269	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@]2(C)CCC[NH2+]C2)c1	ZINC000440861065	682035554	/nfs/dbraw/zinc/03/55/54/682035554.db2.gz	QAWCZAOPZFGEAE-QGZVFWFLSA-N	1	0	351.472	1.270	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1	ZINC000443494111	682309585	/nfs/dbraw/zinc/30/95/85/682309585.db2.gz	STYBYGJVKQXHGM-UHFFFAOYSA-N	1	0	371.890	1.725	20	30		FDEDRO
N#Cc1nc(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)ccc1C(F)(F)F	ZINC000443512571	682315584	/nfs/dbraw/zinc/31/55/84/682315584.db2.gz	SVVDVYJCVRMHLR-NSHDSACASA-N	1	0	355.364	1.971	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1	ZINC000451539191	682897805	/nfs/dbraw/zinc/89/78/05/682897805.db2.gz	YCYNGNGOMWTYII-UHFFFAOYSA-N	1	0	373.519	1.069	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N(C)CC(=O)Nc1ccccc1Cl	ZINC000451600619	682904924	/nfs/dbraw/zinc/90/49/24/682904924.db2.gz	RQNPZONZNZTJCI-CABCVRRESA-N	1	0	351.834	1.670	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1	ZINC000451931418	682971513	/nfs/dbraw/zinc/97/15/13/682971513.db2.gz	SFQOKRMTPGIOJP-DLBZAZTESA-N	1	0	364.515	1.777	20	30		FDEDRO
C[C@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C[NH+](C)C	ZINC000452011319	682999687	/nfs/dbraw/zinc/99/96/87/682999687.db2.gz	WTZYHSCPIACKDL-TZMCWYRMSA-N	1	0	362.861	1.878	20	30		FDEDRO
C=CCC[C@H](CO)[NH2+][C@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000453340973	683160205	/nfs/dbraw/zinc/16/02/05/683160205.db2.gz	DNTNOEGGKGARLS-NVXWUHKLSA-N	1	0	368.499	1.685	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H](C)C1	ZINC000453599412	683168432	/nfs/dbraw/zinc/16/84/32/683168432.db2.gz	NABLCZURMQUABM-NWDGAFQWSA-N	1	0	363.849	1.782	20	30		FDEDRO
C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000453751542	683205427	/nfs/dbraw/zinc/20/54/27/683205427.db2.gz	SVPPZTZEFICUFL-WCQYABFASA-N	1	0	361.833	1.630	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN(CCO)C[C@H]1C)C(C)C	ZINC000457744622	683783177	/nfs/dbraw/zinc/78/31/77/683783177.db2.gz	KSYMHDBZZVOWCZ-QZTJIDSGSA-N	1	0	352.523	1.393	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCCNC(=O)[C@@H]2CC(C)C)CC1	ZINC000458322648	684241817	/nfs/dbraw/zinc/24/18/17/684241817.db2.gz	OSQGKASDTGJIMM-KRWDZBQOSA-N	1	0	350.507	1.973	20	30		FDEDRO
C[C@H](CN(C)CCS(=O)(=O)c1ccc(C#N)cn1)C(=O)OC(C)(C)C	ZINC000459823212	684463241	/nfs/dbraw/zinc/46/32/41/684463241.db2.gz	IPEUSYDFSNNXRV-CYBMUJFWSA-N	1	0	367.471	1.637	20	30		FDEDRO
CC[N@H+](CCO)CCNC(=O)CSc1nc(C)c(C)c(C)c1C#N	ZINC000470587445	685045454	/nfs/dbraw/zinc/04/54/54/685045454.db2.gz	IYHKKASOCZIDAB-UHFFFAOYSA-N	1	0	350.488	1.401	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]([C@@H](C)CO)C2CCCC2)CC1	ZINC000477637126	685869236	/nfs/dbraw/zinc/86/92/36/685869236.db2.gz	NWKKGQPVSBWKGP-FUHWJXTLSA-N	1	0	350.507	1.304	20	30		FDEDRO
C[NH+](C)[C@]1(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)CCSC1	ZINC000481348086	686324313	/nfs/dbraw/zinc/32/43/13/686324313.db2.gz	YWHXSRPXGJSOJW-AWEZNQCLSA-N	1	0	359.904	1.927	20	30		FDEDRO
CS[C@@H]1CN(CC(=O)NCc2cccc(C#N)c2)C[C@@H]1[NH+]1CCCC1	ZINC000484614625	686614059	/nfs/dbraw/zinc/61/40/59/686614059.db2.gz	KLELOCYFEBOCLS-ZWKOTPCHSA-N	1	0	358.511	1.686	20	30		FDEDRO
C=CCN(c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-])C1CC1	ZINC000485977323	686813968	/nfs/dbraw/zinc/81/39/68/686813968.db2.gz	GWOVULXBJIXDHE-UHFFFAOYSA-N	1	0	368.459	1.590	20	30		FDEDRO
C[C@@H](NS(=O)(=O)N(C)CCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000486682992	686924891	/nfs/dbraw/zinc/92/48/91/686924891.db2.gz	KFRATRJMNRSYCL-NVXWUHKLSA-N	1	0	350.488	1.577	20	30		FDEDRO
C[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000488807992	687060610	/nfs/dbraw/zinc/06/06/10/687060610.db2.gz	PVXNJHSKTBNQPE-PMPSAXMXSA-N	1	0	362.499	1.160	20	30		FDEDRO
C=CCCCS(=O)(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000489625624	687108772	/nfs/dbraw/zinc/10/87/72/687108772.db2.gz	JSHWLFFEKRFPLH-SFHVURJKSA-N	1	0	352.500	1.851	20	30		FDEDRO
Cc1ncc(S(=O)(=O)NCc2ccc(C[NH+](C)C)c(F)c2)cc1C#N	ZINC000489691092	687111020	/nfs/dbraw/zinc/11/10/20/687111020.db2.gz	YFIWHQLLWFURHG-UHFFFAOYSA-N	1	0	362.430	1.941	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)[N@H+](CC)C[C@H]2C)c1	ZINC000498555465	687810108	/nfs/dbraw/zinc/81/01/08/687810108.db2.gz	QNTIIOLLNUUGJM-HUUCEWRRSA-N	1	0	365.499	1.706	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C)[N@H+](CC)C[C@H]2C)cc1	ZINC000498568541	687814472	/nfs/dbraw/zinc/81/44/72/687814472.db2.gz	VDXBCXPGOWRUHY-LSDHHAIUSA-N	1	0	365.499	1.706	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(CC(N)=O)CC1)C(C)C	ZINC000503410703	688355254	/nfs/dbraw/zinc/35/52/54/688355254.db2.gz	YITMYBWDPHZPIF-QGZVFWFLSA-N	1	0	350.507	1.982	20	30		FDEDRO
C[NH+](C)CCOC1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1	ZINC000503448965	688360045	/nfs/dbraw/zinc/36/00/45/688360045.db2.gz	OMTOFFBZYKHTBC-UHFFFAOYSA-N	1	0	371.890	1.943	20	30		FDEDRO
CC(C)(O)C(C)(C)[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000505601598	688513253	/nfs/dbraw/zinc/51/32/53/688513253.db2.gz	GNRXIQWVEZEAMT-AWEZNQCLSA-N	1	0	364.515	1.596	20	30		FDEDRO
COCC[N@@H+]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1	ZINC000506495263	688572549	/nfs/dbraw/zinc/57/25/49/688572549.db2.gz	OSCIFXYGEPYHIZ-GOSISDBHSA-N	1	0	353.463	1.429	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000509935862	689325717	/nfs/dbraw/zinc/32/57/17/689325717.db2.gz	XLOGNSMMYKQBBN-OAHLLOKOSA-N	1	0	363.487	1.401	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H]2CCCN2S(=O)(=O)CCCC)CC1	ZINC000513720024	689694968	/nfs/dbraw/zinc/69/49/68/689694968.db2.gz	GGWJUFUSPFBCNH-MRXNPFEDSA-N	1	0	357.520	1.347	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H]1CSCCN1Cc1ccccc1	ZINC000516762914	689986515	/nfs/dbraw/zinc/98/65/15/689986515.db2.gz	YBMHFQZJDPTANL-OALUTQOASA-N	1	0	362.543	1.400	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)cc1	ZINC000517699758	690088451	/nfs/dbraw/zinc/08/84/51/690088451.db2.gz	ZPBNRIOWJQKHSS-QGZVFWFLSA-N	1	0	363.483	1.317	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CC(=O)N(c2ccccc2Cl)C1	ZINC000519596092	690228421	/nfs/dbraw/zinc/22/84/21/690228421.db2.gz	JRKVYKQOAGWIBG-KGLIPLIRSA-N	1	0	350.850	1.241	20	30		FDEDRO
N#CCSCC(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1	ZINC000520359328	690311997	/nfs/dbraw/zinc/31/19/97/690311997.db2.gz	GSZWQJWCVMRSJH-UHFFFAOYSA-N	1	0	360.483	1.385	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cscn1	ZINC000521037268	690377627	/nfs/dbraw/zinc/37/76/27/690377627.db2.gz	CEYYCFXSHGXHCN-UHFFFAOYSA-N	1	0	350.469	1.767	20	30		FDEDRO
Cc1ccc(C(=O)NC2(C#N)CC[NH+](C)CC2)cc1NS(C)(=O)=O	ZINC000521241434	690398900	/nfs/dbraw/zinc/39/89/00/690398900.db2.gz	KQSQNAVWAJEFGB-UHFFFAOYSA-N	1	0	350.444	1.084	20	30		FDEDRO
C[NH+]1CCN(C[C@@H](NS(=O)(=O)CCCC#N)c2ccccc2)CC1	ZINC000522023926	694458209	/nfs/dbraw/zinc/45/82/09/694458209.db2.gz	CFLNEYGREPHFHU-QGZVFWFLSA-N	1	0	350.488	1.198	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NCC[N@H+]2CC[C@H](C)C2)c1	ZINC000525307430	694606121	/nfs/dbraw/zinc/60/61/21/694606121.db2.gz	DZFGPSRTYJCPCQ-AWEZNQCLSA-N	1	0	351.472	1.223	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1	ZINC000525619715	694631143	/nfs/dbraw/zinc/63/11/43/694631143.db2.gz	ZXGGHZRZAOVCED-DZGCQCFKSA-N	1	0	351.472	1.363	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)CN1CCC[C@@]2(CCS(=O)(=O)C2)C1	ZINC000528517343	694725922	/nfs/dbraw/zinc/72/59/22/694725922.db2.gz	HERMHIHQNJBXBN-SJLPKXTDSA-N	1	0	364.467	1.199	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1	ZINC000528689968	694743418	/nfs/dbraw/zinc/74/34/18/694743418.db2.gz	QKUIUBQMLUGWSY-SWLSCSKDSA-N	1	0	362.455	1.778	20	30		FDEDRO
C=CCN(C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)[C@H]1CCS(=O)(=O)C1	ZINC000528719126	694744432	/nfs/dbraw/zinc/74/44/32/694744432.db2.gz	JJXIVNRGJGGTGZ-HNNXBMFYSA-N	1	0	365.455	1.376	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2F)C1	ZINC000531095932	694820116	/nfs/dbraw/zinc/82/01/16/694820116.db2.gz	UZTWXMKUTINJKB-HNNXBMFYSA-N	1	0	369.462	1.819	20	30		FDEDRO
C=CCSc1ccccc1NC(=O)Cn1cc(C[C@@H]([NH3+])COC)nn1	ZINC000640860222	695635644	/nfs/dbraw/zinc/63/56/44/695635644.db2.gz	KECWPPCLTAMAQS-CYBMUJFWSA-N	1	0	361.471	1.711	20	30		FDEDRO
CC#CC[C@@H](CO)[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1	ZINC000641767986	696217537	/nfs/dbraw/zinc/21/75/37/696217537.db2.gz	SVLZVTUDNSKKQS-KRWDZBQOSA-N	1	0	366.889	1.915	20	30		FDEDRO
C=C[C@H](CO)[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC	ZINC000641771813	696217712	/nfs/dbraw/zinc/21/77/12/696217712.db2.gz	DDLOVOLGXMUCSD-ZWNOBZJWSA-N	1	0	357.248	1.599	20	30		FDEDRO
N#Cc1ccc(Oc2nc(Cl)ncc2N2CCN3CC[NH2+]C[C@@H]3C2)cc1	ZINC001164400127	718843410	/nfs/dbraw/zinc/84/34/10/718843410.db2.gz	QJSDYMXMBMHHIE-CQSZACIVSA-N	1	0	370.844	1.888	20	30		FDEDRO
N#Cc1nc(Cl)ccc1C(F)(F)N1CCCO[C@]2(C[NH2+]CCOC2)C1	ZINC001164426213	718913800	/nfs/dbraw/zinc/91/38/00/718913800.db2.gz	YGYUQPVZPHKTME-OAHLLOKOSA-N	1	0	372.803	1.737	20	30		FDEDRO
CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1ccc(C#N)c(Cl)n1	ZINC001164618270	719012208	/nfs/dbraw/zinc/01/22/08/719012208.db2.gz	RUEPVLVMRDMSGQ-GRYCIOLGSA-N	1	0	370.787	1.881	20	30		FDEDRO
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(Cl)nc(C#N)c1	ZINC001164619678	719014660	/nfs/dbraw/zinc/01/46/60/719014660.db2.gz	WSLCUODFFZLTBA-XDTLVQLUSA-N	1	0	370.787	1.881	20	30		FDEDRO
CCOC(=O)C1CC[NH+](C2CCN(c3ncc(C#N)c(OC)n3)CC2)CC1	ZINC001164614301	719023501	/nfs/dbraw/zinc/02/35/01/719023501.db2.gz	QZTDLCXTAMDNRP-UHFFFAOYSA-N	1	0	373.457	1.601	20	30		FDEDRO
CCOC(=O)C1CC[NH+](C2CCN(c3cnc(C#N)c(C#N)n3)CC2)CC1	ZINC001164616418	719032661	/nfs/dbraw/zinc/03/26/61/719032661.db2.gz	BMFDECZUYWPXKV-UHFFFAOYSA-N	1	0	368.441	1.464	20	30		FDEDRO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(C#N)cn2)CC1	ZINC001164818232	720284833	/nfs/dbraw/zinc/28/48/33/720284833.db2.gz	JSPFOZORFYSYQZ-QZTJIDSGSA-N	1	0	353.470	1.865	20	30		FDEDRO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cncc(C#N)n2)CC1	ZINC001164818899	720302799	/nfs/dbraw/zinc/30/27/99/720302799.db2.gz	BKITXUSXAMZISO-SJORKVTESA-N	1	0	354.458	1.260	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(Cl)c(C#N)n3)CC[C@H]2C1	ZINC001164848773	720837468	/nfs/dbraw/zinc/83/74/68/720837468.db2.gz	AYZFWEQNGQNBOW-XJKSGUPXSA-N	1	0	350.850	1.780	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)n1	ZINC001164752392	720949286	/nfs/dbraw/zinc/94/92/86/720949286.db2.gz	YMBBOQDIWRPGPJ-UHFFFAOYSA-N	1	0	354.414	1.104	20	30		FDEDRO
COc1nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)ncc1C#N	ZINC001164773072	721095966	/nfs/dbraw/zinc/09/59/66/721095966.db2.gz	WAJAOTJHYTUSNG-HOCLYGCPSA-N	1	0	353.430	1.049	20	30		FDEDRO
COc1nc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)ncc1C#N	ZINC001164773064	721096444	/nfs/dbraw/zinc/09/64/44/721096444.db2.gz	WAJAOTJHYTUSNG-GDBMZVCRSA-N	1	0	353.430	1.049	20	30		FDEDRO
N#Cc1c(F)ccnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164862824	721104535	/nfs/dbraw/zinc/10/45/35/721104535.db2.gz	BACOMFBMAUFLLD-HOTGVXAUSA-N	1	0	353.401	1.967	20	30		FDEDRO
Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(C#N)ccc4[N+](=O)[O-])C[C@H]3C2)cn1	ZINC001164772745	721128563	/nfs/dbraw/zinc/12/85/63/721128563.db2.gz	VYBMVSFQAKSNCV-LSDHHAIUSA-N	1	0	367.413	1.553	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001087204359	782277677	/nfs/dbraw/zinc/27/76/77/782277677.db2.gz	VSRRSMOJVNSFEJ-AYOQOUSVSA-N	1	0	368.481	1.896	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3cccc(OCCC)c3)[C@H]2C1	ZINC001083243524	782486977	/nfs/dbraw/zinc/48/69/77/782486977.db2.gz	HQIWKINDVRZALV-VQTJNVASSA-N	1	0	356.466	1.953	20	30		FDEDRO
Cn1ccnc1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000264057119	782542527	/nfs/dbraw/zinc/54/25/27/782542527.db2.gz	ANHBJXAVYSXLML-UHFFFAOYSA-N	1	0	352.442	1.709	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21	ZINC000972151747	782545551	/nfs/dbraw/zinc/54/55/51/782545551.db2.gz	DZGKDTXBMXCSLE-BPQIPLTHSA-N	1	0	369.469	1.432	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)nc1	ZINC000969123808	768902748	/nfs/dbraw/zinc/90/27/48/768902748.db2.gz	XLMYASBPGPBMOT-NRSFXHEJSA-N	1	0	366.465	1.219	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cnn(CCC(C)C)c3C)[C@H]2C1	ZINC001083244803	782719111	/nfs/dbraw/zinc/71/91/11/782719111.db2.gz	KVAFJLUYBICVKI-RBUKOAKNSA-N	1	0	358.486	1.786	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)c2ccncc2)C[C@H]1C	ZINC001104224663	770086775	/nfs/dbraw/zinc/08/67/75/770086775.db2.gz	XONUHCDPXCAYQT-SJLPKXTDSA-N	1	0	358.486	1.852	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+][C@H]2CCCNC2=O)c1	ZINC001087210849	782814021	/nfs/dbraw/zinc/81/40/21/782814021.db2.gz	GFKAAMGOQBVEBH-JLSDUUJJSA-N	1	0	354.454	1.172	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1	ZINC000969431389	770189345	/nfs/dbraw/zinc/18/93/45/770189345.db2.gz	BJNWWLPHIKTJCB-RFQIPJPRSA-N	1	0	359.264	1.137	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2ccnn2C)c1	ZINC001087211113	782823504	/nfs/dbraw/zinc/82/35/04/782823504.db2.gz	SNVHECKENAWAND-BEFAXECRSA-N	1	0	351.454	1.827	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCSC3(CC(C(=O)OC)C3)C2)CC1	ZINC000890605811	770322622	/nfs/dbraw/zinc/32/26/22/770322622.db2.gz	KHLGHMDGIWAFKH-WUJZJPHMSA-N	1	0	364.511	1.665	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1	ZINC000969512359	770355555	/nfs/dbraw/zinc/35/55/55/770355555.db2.gz	LGHRYKOROFYNHB-CABCVRRESA-N	1	0	351.491	1.151	20	30		FDEDRO
Cc1ccc([C@@H](CN2CCOCC2)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)cc1	ZINC000511127036	782844113	/nfs/dbraw/zinc/84/41/13/782844113.db2.gz	SULJLECCFPRUAP-TZIWHRDSSA-N	1	0	370.497	1.766	20	30		FDEDRO
C=C(Cl)CN1CC([C@@H](C)NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1	ZINC000969686348	770645590	/nfs/dbraw/zinc/64/55/90/770645590.db2.gz	AWXVHUVWARDZGU-OLMNPRSZSA-N	1	0	369.937	1.922	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(c2nnc3n2CCCC3)CC1	ZINC000275011785	771038511	/nfs/dbraw/zinc/03/85/11/771038511.db2.gz	ROACTCZPKJIBMD-CYBMUJFWSA-N	1	0	360.462	1.194	20	30		FDEDRO
C[C@@H](NC(=O)[C@H]1CN(C)C[C@@H](C)O1)C1C[NH+](Cc2ccc(C#N)cc2)C1	ZINC000969959767	771121321	/nfs/dbraw/zinc/12/13/21/771121321.db2.gz	WOYMNDAZSXAMJJ-SPYBWZPUSA-N	1	0	356.470	1.214	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2c(C)nn(C)c2Cl)C1	ZINC000970015675	771204377	/nfs/dbraw/zinc/20/43/77/771204377.db2.gz	XODXZVZEDQZERD-NFAWXSAZSA-N	1	0	352.866	1.664	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](NCc2nc(N(C)C)no2)C1	ZINC001020716095	771292875	/nfs/dbraw/zinc/29/28/75/771292875.db2.gz	OVIFRJIPHJODLQ-YXWQFLTLSA-N	1	0	363.462	1.244	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCCN(C)C(=O)C1CC[NH+](C)CC1	ZINC001067716356	771344219	/nfs/dbraw/zinc/34/42/19/771344219.db2.gz	NGCBBLLOZYYNBL-SJORKVTESA-N	1	0	351.491	1.226	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)C(C)(F)F)[C@@H]3C2)CC1	ZINC001020920371	771543236	/nfs/dbraw/zinc/54/32/36/771543236.db2.gz	ONOSXWMIYCRSRS-LSDHHAIUSA-N	1	0	353.413	1.046	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)C4CCCCC4)[C@@H]3C2)CC1	ZINC001020981079	771745665	/nfs/dbraw/zinc/74/56/65/771745665.db2.gz	IOKGFDBQQPAIAD-VQTJNVASSA-N	1	0	371.525	1.971	20	30		FDEDRO
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(c3nc(C(C)C)ccc3C#N)C[C@H]1C2	ZINC001167227988	771771669	/nfs/dbraw/zinc/77/16/69/771771669.db2.gz	AHPYKBGCHMPKMN-ASKKUZCQSA-N	1	0	354.454	1.912	20	30		FDEDRO
NC(=O)[C@@H]1C[C@@H]1C(=O)NCCC1(C[NH2+]CC#Cc2ccc(F)cc2)CC1	ZINC001167244949	771797877	/nfs/dbraw/zinc/79/78/77/771797877.db2.gz	KXUGTBOOYRMSGI-SJORKVTESA-N	1	0	357.429	1.175	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](OCCOC)C2)c(OC)c1	ZINC000275472160	771833358	/nfs/dbraw/zinc/83/33/58/771833358.db2.gz	CUOJNOQRLBFTHJ-MSOLQXFVSA-N	1	0	365.470	1.901	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)NCC2CCC2)CC1	ZINC001167274061	771849210	/nfs/dbraw/zinc/84/92/10/771849210.db2.gz	JTGRJDOSNVRYQF-SJORKVTESA-N	1	0	363.502	1.370	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+][C@@H](C)c2nnc(CC)[nH]2)CC1	ZINC001167277526	771856600	/nfs/dbraw/zinc/85/66/00/771856600.db2.gz	NACJKVNLKYEPDI-ZNMIVQPWSA-N	1	0	361.490	1.895	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]CCn2nc(C)cc2C)CC1	ZINC001167277767	771857248	/nfs/dbraw/zinc/85/72/48/771857248.db2.gz	UEMYCZLJARVDQW-MSOLQXFVSA-N	1	0	360.502	1.967	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC[C@H]2CCOC2)C1	ZINC001104250207	772005326	/nfs/dbraw/zinc/00/53/26/772005326.db2.gz	YRLDTJNFEJTWLI-KZNAEPCWSA-N	1	0	365.518	1.570	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn(C)c(=O)cn1)C2	ZINC001112482492	772339525	/nfs/dbraw/zinc/33/95/25/772339525.db2.gz	YXCYPTUVSCDVIR-GUXCAODWSA-N	1	0	358.486	1.967	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc3occc3[nH]2)C[C@H]1C	ZINC001104253911	772360026	/nfs/dbraw/zinc/36/00/26/772360026.db2.gz	HFSHJLRYYNEBKD-ZIAGYGMSSA-N	1	0	358.442	1.751	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCn2cncn2)C1)OCC	ZINC001104255371	772432055	/nfs/dbraw/zinc/43/20/55/772432055.db2.gz	MCCVFEZRZFAHOX-KURKYZTESA-N	1	0	363.506	1.724	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087214176	783017066	/nfs/dbraw/zinc/01/70/66/783017066.db2.gz	JJXNLGGVPWREKW-RNJTYBCJSA-N	1	0	354.454	1.396	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C(C)C)C2)C[C@H]1C	ZINC001104259231	772511641	/nfs/dbraw/zinc/51/16/41/772511641.db2.gz	DIUZHRLRXODKMP-KURKYZTESA-N	1	0	365.518	1.520	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)N2C(=O)CCC2=O)C[C@H]1C	ZINC001104262966	772554679	/nfs/dbraw/zinc/55/46/79/772554679.db2.gz	WEXKQNKYOUFCEC-KWCYVHTRSA-N	1	0	355.866	1.351	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1	ZINC000890989095	772666618	/nfs/dbraw/zinc/66/66/18/772666618.db2.gz	ICMBKMRCSVHEAP-OAHLLOKOSA-N	1	0	363.421	1.938	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C2)CCOCC1	ZINC001104279668	772755480	/nfs/dbraw/zinc/75/54/80/772755480.db2.gz	KFMUSTABICXTHU-RTBURBONSA-N	1	0	360.498	1.531	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ncn(C)c32)C[C@H]1C	ZINC001104282852	772779120	/nfs/dbraw/zinc/77/91/20/772779120.db2.gz	XSOJJSHXBXCHTE-ZIAGYGMSSA-N	1	0	357.458	1.938	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCc3nc(C)nn3C1)C2	ZINC001112486430	772978548	/nfs/dbraw/zinc/97/85/48/772978548.db2.gz	RPQJHSXPSZSOPI-ZWOKBUDYSA-N	1	0	357.502	1.943	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1CC[NH2+]Cc1ccccc1C#N	ZINC001104286595	773040125	/nfs/dbraw/zinc/04/01/25/773040125.db2.gz	FTNBATGPZKQCGP-JTDSTZFVSA-N	1	0	368.481	1.659	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)C45CCC[NH+]4CCC5)C[C@H]32)[nH]1	ZINC001021410892	773232157	/nfs/dbraw/zinc/23/21/57/773232157.db2.gz	AIUYBIMAJKEZIP-WMLDXEAASA-N	1	0	367.453	1.188	20	30		FDEDRO
CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N(C)C[C@H](C)C#N)c2)CC1	ZINC000275706721	773250661	/nfs/dbraw/zinc/25/06/61/773250661.db2.gz	PHWMJMBDNDPGRM-OAHLLOKOSA-N	1	0	357.458	1.385	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1	ZINC001021428854	773310431	/nfs/dbraw/zinc/31/04/31/773310431.db2.gz	CJSNPKVXWJYDSW-JCGIZDLHSA-N	1	0	369.469	1.432	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@H+](CC(=O)NC3CC3)C2)C1	ZINC001041736639	773514476	/nfs/dbraw/zinc/51/44/76/773514476.db2.gz	UWUGBWOAHGBPSR-XKGZKEIXSA-N	1	0	361.486	1.171	20	30		FDEDRO
Cn1cc(CN2CCCN(C(=O)Cc3c(F)cccc3C#N)CC2)cn1	ZINC000510315667	773537486	/nfs/dbraw/zinc/53/74/86/773537486.db2.gz	RVYAKLZSTHHHKT-UHFFFAOYSA-N	1	0	355.417	1.708	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1	ZINC000656075306	773554027	/nfs/dbraw/zinc/55/40/27/773554027.db2.gz	IHXLRUNYHGATSH-UHFFFAOYSA-N	1	0	360.458	1.601	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCO[C@H](c3cncn3C)C2)CC1	ZINC000275756888	773632095	/nfs/dbraw/zinc/63/20/95/773632095.db2.gz	ZJSWFFBUTSQFIK-AEFFLSMTSA-N	1	0	361.490	1.980	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](NC(C)=O)C(C)(C)C)C2	ZINC001111513701	773785646	/nfs/dbraw/zinc/78/56/46/773785646.db2.gz	AFQGAMNZLJJHKJ-WCXIOVBPSA-N	1	0	351.491	1.461	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCc2ccsc2)C[C@H]1C	ZINC001104292155	773852794	/nfs/dbraw/zinc/85/27/94/773852794.db2.gz	MGYUWTWYFFVXQI-NVXWUHKLSA-N	1	0	361.511	1.504	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn(C)nc1[C@H]1CCOC1)C2	ZINC001112494668	773938990	/nfs/dbraw/zinc/93/89/90/773938990.db2.gz	VPNYWPUMQOHMSX-FIKGOQFSSA-N	1	0	370.497	1.779	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cnn3ncccc23)C[C@H]1C	ZINC001104298814	774077800	/nfs/dbraw/zinc/07/78/00/774077800.db2.gz	QWEIUOVYIVWKIQ-HZPDHXFCSA-N	1	0	357.458	1.620	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(N4CC=CC4)c3)[C@H]2C1	ZINC001083209106	774249649	/nfs/dbraw/zinc/24/96/49/774249649.db2.gz	QSNZALIIPAHIHS-VQTJNVASSA-N	1	0	351.450	1.611	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCn1cncn1	ZINC001111488406	774290683	/nfs/dbraw/zinc/29/06/83/774290683.db2.gz	JSOVPGZRJMBOJL-TVFCKZIOSA-N	1	0	361.490	1.761	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccn3c2CCCC3)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104302969	774376355	/nfs/dbraw/zinc/37/63/55/774376355.db2.gz	MIXKZQGXKLYCAL-HZPDHXFCSA-N	1	0	371.485	1.152	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(F)c1	ZINC000275898307	774408143	/nfs/dbraw/zinc/40/81/43/774408143.db2.gz	OLMXQIPUNNJAFV-DLBZAZTESA-N	1	0	374.416	1.130	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cc(C)n(C)n2)C1	ZINC001104306093	774439674	/nfs/dbraw/zinc/43/96/74/774439674.db2.gz	KGXXSVBWXYCASD-POAQFYNOSA-N	1	0	371.529	1.400	20	30		FDEDRO
O=C(NCC[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)C1N=CC=CC1=O	ZINC000588535907	783180699	/nfs/dbraw/zinc/18/06/99/783180699.db2.gz	YYARZMJJAHTPAO-VHEBQXMUSA-N	1	0	369.400	1.687	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1	ZINC001104309410	774547601	/nfs/dbraw/zinc/54/76/01/774547601.db2.gz	ZLPNXBDPGUJUQY-GJJHYRHESA-N	1	0	371.481	1.936	20	30		FDEDRO
CSc1ncc(C#N)c(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1	ZINC001167422924	774566262	/nfs/dbraw/zinc/56/62/62/774566262.db2.gz	HEUGHMFTVWWEOS-UHFFFAOYSA-N	1	0	354.483	1.856	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H](C[NH2+]Cc2ccc(C#N)s2)C1	ZINC001087135434	774650611	/nfs/dbraw/zinc/65/06/11/774650611.db2.gz	HEOOKHIXCWEONS-DVOMOZLQSA-N	1	0	360.483	1.615	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2cccc(OCC#N)c2)C1	ZINC000785026515	774703487	/nfs/dbraw/zinc/70/34/87/774703487.db2.gz	FPWWEBZBLVAFFQ-RHSMWYFYSA-N	1	0	356.426	1.470	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(=O)NCC2CC2)CC1	ZINC001167435053	774827178	/nfs/dbraw/zinc/82/71/78/774827178.db2.gz	FNAMKNNNOSKKEE-WMZOPIPTSA-N	1	0	363.502	1.370	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1(C[NH2+][C@@H](C)C(=O)NCCC)CC1	ZINC001167435259	774842993	/nfs/dbraw/zinc/84/29/93/774842993.db2.gz	PPJBXIXEDJKHLL-ULQDDVLXSA-N	1	0	365.518	1.758	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)OC3(CCCCC3)C2)CC1	ZINC000656311846	774904650	/nfs/dbraw/zinc/90/46/50/774904650.db2.gz	PKGOCUGWWMRAHI-INIZCTEOSA-N	1	0	363.502	1.703	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1	ZINC001104320945	774931786	/nfs/dbraw/zinc/93/17/86/774931786.db2.gz	LPSGFLQRPXFUCM-LZQZEXGQSA-N	1	0	368.481	1.659	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087148532	775588250	/nfs/dbraw/zinc/58/82/50/775588250.db2.gz	XVKPDTQNPJHABQ-LZQZEXGQSA-N	1	0	368.481	1.801	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)c2nc(C)c(C)[nH]c2=O)C[C@H]1C	ZINC001104340802	775860177	/nfs/dbraw/zinc/86/01/77/775860177.db2.gz	YCNJPKLPQAVJLV-QMTHXVAHSA-N	1	0	352.866	1.827	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(-n3cncn3)nc1)C2	ZINC001112503587	776164790	/nfs/dbraw/zinc/16/47/90/776164790.db2.gz	YQHHBFWIOBOANE-LPHOPBHVSA-N	1	0	352.442	1.680	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)c4ocnc4C)C[C@H]32)CC1	ZINC001021883552	776484254	/nfs/dbraw/zinc/48/42/54/776484254.db2.gz	IHPIROJGMYBERA-DLBZAZTESA-N	1	0	370.453	1.001	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)c4[nH]ccc4C)C[C@H]32)CC1	ZINC001021883878	776488197	/nfs/dbraw/zinc/48/81/97/776488197.db2.gz	NZEWNRMVTQEJHH-ZWKOTPCHSA-N	1	0	368.481	1.341	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4C[C@H]4CCC)C[C@H]32)CC1	ZINC001021886696	776501789	/nfs/dbraw/zinc/50/17/89/776501789.db2.gz	OWCBRNCSAZFLGB-IYWMVGAKSA-N	1	0	371.525	1.827	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@]4(C)C=CCC4)C[C@H]32)CC1	ZINC001021886653	776501800	/nfs/dbraw/zinc/50/18/00/776501800.db2.gz	KVMQCUXCAHKMKC-NNMXDRDESA-N	1	0	369.509	1.747	20	30		FDEDRO
C[NH+](C)CCOCCNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1	ZINC000471652803	776541622	/nfs/dbraw/zinc/54/16/22/776541622.db2.gz	HEQHTIPZDUQMKJ-UHFFFAOYSA-N	1	0	363.437	1.107	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000892710771	790478332	/nfs/dbraw/zinc/47/83/32/790478332.db2.gz	BLYHLBIKESDIJB-ROUUACIJSA-N	1	0	368.485	1.800	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3scnc3COC)[C@H]2C1	ZINC001083218322	776852253	/nfs/dbraw/zinc/85/22/53/776852253.db2.gz	NCPPTWKIIQWTSI-LSDHHAIUSA-N	1	0	351.472	1.781	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cc(C)[nH]c2C)C[C@H]1C	ZINC001104735651	790522601	/nfs/dbraw/zinc/52/26/01/790522601.db2.gz	UXEPVIPQRDTCDX-KBRIMQKVSA-N	1	0	358.486	1.457	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H]2CCNC2=O)C1	ZINC001075422220	777279019	/nfs/dbraw/zinc/27/90/19/777279019.db2.gz	RYZFIAMSYSOCCF-BHIYHBOVSA-N	1	0	371.456	1.507	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@H](C)C(=O)N(C)C)C2)cc1	ZINC001112505857	777389381	/nfs/dbraw/zinc/38/93/81/777389381.db2.gz	LJSQYUDCYLHKQN-WVBUVRCRSA-N	1	0	367.493	1.977	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]C[C@@H](O)COC)C2)cc1	ZINC001112505991	777468184	/nfs/dbraw/zinc/46/81/84/777468184.db2.gz	UAXUDBWWCMESHV-ZVDOUQERSA-N	1	0	356.466	1.507	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@]2(C)CCOc3ccccc32)CC1	ZINC000933374183	777818290	/nfs/dbraw/zinc/81/82/90/777818290.db2.gz	KQFYNPIWUVBVPK-RXVVDRJESA-N	1	0	370.497	1.966	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C#CC2CC2)[C@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)C1	ZINC001087164807	778106032	/nfs/dbraw/zinc/10/60/32/778106032.db2.gz	QBHYOBDMOXFBQY-OIISXLGYSA-N	1	0	352.500	1.051	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccncc2CC)C[C@H]1C	ZINC001104371240	778246462	/nfs/dbraw/zinc/24/64/62/778246462.db2.gz	TUSIXOSHPYFSMH-NVXWUHKLSA-N	1	0	356.470	1.081	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCCCCC1	ZINC001111489624	778365610	/nfs/dbraw/zinc/36/56/10/778365610.db2.gz	GJAOELKBOYPREB-MLHJIOFPSA-N	1	0	363.502	1.702	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)C(=O)Nc2cccc(C[NH+](CC)CC)c2)C1	ZINC000891607414	778505884	/nfs/dbraw/zinc/50/58/84/778505884.db2.gz	MSUNNNZNAPUBNK-IBGZPJMESA-N	1	0	370.497	1.681	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(N)=O)C1	ZINC001112506797	778677956	/nfs/dbraw/zinc/67/79/56/778677956.db2.gz	GGIJKRZZWVEPMV-UGSOOPFHSA-N	1	0	350.463	1.002	20	30		FDEDRO
C[NH+](C)C1(C(=O)N2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)CCC1	ZINC000971719712	778840924	/nfs/dbraw/zinc/84/09/24/778840924.db2.gz	ZIBDWSZLJBGTFA-GDBMZVCRSA-N	1	0	355.442	1.044	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1	ZINC001022273314	779060524	/nfs/dbraw/zinc/06/05/24/779060524.db2.gz	GYQAJBPJYSZKAL-JKIFEVAISA-N	1	0	364.409	1.100	20	30		FDEDRO
C#CC[C@H](NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1	ZINC000891720861	779179775	/nfs/dbraw/zinc/17/97/75/779179775.db2.gz	PXNZMQOBPIFIFO-XDNAFOTISA-N	1	0	368.437	1.328	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)C[N@H+]4CC[C@H](C)C4)C[C@H]32)cn1	ZINC001022294817	779201385	/nfs/dbraw/zinc/20/13/85/779201385.db2.gz	XRZYIVMGAOXDSG-VDZJLULYSA-N	1	0	366.465	1.078	20	30		FDEDRO
Cc1nnnn1-c1cc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1F	ZINC000328898363	779299338	/nfs/dbraw/zinc/29/93/38/779299338.db2.gz	WPRIVZSGPVYORL-CABCVRRESA-N	1	0	359.409	1.872	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]21	ZINC001022317153	779323939	/nfs/dbraw/zinc/32/39/39/779323939.db2.gz	RVJHQSBLPYTDEV-XUVXKRRUSA-N	1	0	365.477	1.221	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C[C@@H]2CCNC2=O)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087174424	779409654	/nfs/dbraw/zinc/40/96/54/779409654.db2.gz	RKYNHEVGNZKAOJ-MNEFBYGVSA-N	1	0	368.481	1.801	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)[C@H]4CCCC[N@H+]4C)C[C@H]32)cc1	ZINC001022334702	779435932	/nfs/dbraw/zinc/43/59/32/779435932.db2.gz	ZVSCGLQZNUBATF-XUVXKRRUSA-N	1	0	365.477	1.825	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cnnn1C	ZINC001087175652	779462411	/nfs/dbraw/zinc/46/24/11/779462411.db2.gz	ZKFQOKSAULMVSC-CVEARBPZSA-N	1	0	356.474	1.833	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(=O)n(CCOC)c2)C[C@H]1C	ZINC001104384141	779702788	/nfs/dbraw/zinc/70/27/88/779702788.db2.gz	VWULLPZHQSYMDF-IAGOWNOFSA-N	1	0	361.486	1.759	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)c2sccc2-n2cnnn2)C[C@H]1C	ZINC001104385072	779717807	/nfs/dbraw/zinc/71/78/07/779717807.db2.gz	ZQIYBFKBDWVTCN-ZIAGYGMSSA-N	1	0	360.487	1.988	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4CCCC[N@H+]4C)[C@@H]3C2)nc1	ZINC001022423801	780018604	/nfs/dbraw/zinc/01/86/04/780018604.db2.gz	JVIOTKJRUKLCFO-YTQUADARSA-N	1	0	366.465	1.220	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000376822366	790762170	/nfs/dbraw/zinc/76/21/70/790762170.db2.gz	JAGDUJHVUPDZGE-LJQANCHMSA-N	1	0	364.449	1.515	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc1F	ZINC001022453676	780328505	/nfs/dbraw/zinc/32/85/05/780328505.db2.gz	MPEFFMUJNRWLPK-HHHNKWSNSA-N	1	0	355.413	1.858	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cn[nH]n2)cc1C#N	ZINC001087184880	780368451	/nfs/dbraw/zinc/36/84/51/780368451.db2.gz	IGWWSXATFYAOAB-CJNGLKHVSA-N	1	0	368.441	1.715	20	30		FDEDRO
C[N@H+]1CC=C(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000276974893	780382024	/nfs/dbraw/zinc/38/20/24/780382024.db2.gz	YPDCYPDPLYMQLW-SFHVURJKSA-N	1	0	367.453	1.220	20	30		FDEDRO
N#Cc1cc(C(=O)N2C[C@H]3CCN(C(=O)CC[NH+]4CCCCC4)C[C@H]32)c[nH]1	ZINC000971875013	780388474	/nfs/dbraw/zinc/38/84/74/780388474.db2.gz	NQUYJYKCXXSEIX-CRAIPNDOSA-N	1	0	369.469	1.435	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)Cc4ccco4)[C@@H]3C2)CC1	ZINC001022495118	780764403	/nfs/dbraw/zinc/76/44/03/780764403.db2.gz	IKGQOWFESAYMND-PKOBYXMFSA-N	1	0	369.465	1.227	20	30		FDEDRO
CN(C)c1ncc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1	ZINC000277170783	780961968	/nfs/dbraw/zinc/96/19/68/780961968.db2.gz	HTGCKWUUFMJMHT-KRWDZBQOSA-N	1	0	350.426	1.305	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)C[C@H]21	ZINC001022570267	781193689	/nfs/dbraw/zinc/19/36/89/781193689.db2.gz	WXVMEUWCWZSHJA-VDZJLULYSA-N	1	0	368.481	1.623	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C)nc4c3cnn4C)[C@H]2C1	ZINC001083235096	781313546	/nfs/dbraw/zinc/31/35/46/781313546.db2.gz	MUQSUYPPDXYCJZ-ZWKOTPCHSA-N	1	0	369.469	1.768	20	30		FDEDRO
CC1(CNC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)CC[NH2+]CC1	ZINC000892053079	781366941	/nfs/dbraw/zinc/36/69/41/781366941.db2.gz	HDGNKCAIDPCQLX-UHFFFAOYSA-N	1	0	359.449	1.919	20	30		FDEDRO
C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1	ZINC000971998780	781385848	/nfs/dbraw/zinc/38/58/48/781385848.db2.gz	WSCSIXMMSXYGCT-ZGXWSNOMSA-N	1	0	369.465	1.642	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@H]1C	ZINC001104398470	781663625	/nfs/dbraw/zinc/66/36/25/781663625.db2.gz	MMTURLUVOFHGJV-BRWVUGGUSA-N	1	0	350.507	1.818	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCOCC)C[C@H]1c1ccccc1	ZINC001211553471	783297996	/nfs/dbraw/zinc/29/79/96/783297996.db2.gz	BCPBWQCQANMFGM-ZWKOTPCHSA-N	1	0	359.470	1.299	20	30		FDEDRO
C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)Nc1ccc(C#N)cc1F	ZINC000892284690	783394872	/nfs/dbraw/zinc/39/48/72/783394872.db2.gz	NHMFKQARXXYBSQ-ZDUSSCGKSA-N	1	0	367.384	1.768	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)CCc3ccccc3C(N)=O)[C@H]2C1	ZINC001083247967	783426316	/nfs/dbraw/zinc/42/63/16/783426316.db2.gz	LUHJLZNVAHCMGG-ZWKOTPCHSA-N	1	0	357.454	1.206	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C3CCC(=C)CC3)C[C@H]21	ZINC000972834923	783901586	/nfs/dbraw/zinc/90/15/86/783901586.db2.gz	JAFDUMCHHRWEHG-HSALFYBXSA-N	1	0	369.509	1.890	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3cscc3C)C[C@H]21	ZINC000972834866	783901732	/nfs/dbraw/zinc/90/17/32/783901732.db2.gz	GBSZXVPWYUVTKO-BPQIPLTHSA-N	1	0	371.506	1.827	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3nc(C)oc3C)C[C@H]21	ZINC000972834944	783901828	/nfs/dbraw/zinc/90/18/28/783901828.db2.gz	JWAWIGCIZNWKNM-IXDOHACOSA-N	1	0	370.453	1.062	20	30		FDEDRO
Cc1cccc(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)c1	ZINC001112519880	783936241	/nfs/dbraw/zinc/93/62/41/783936241.db2.gz	DPDYHCJBAKYZTM-RXVVDRJESA-N	1	0	368.481	1.396	20	30		FDEDRO
N#Cc1cccc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)c1	ZINC001024158444	784038262	/nfs/dbraw/zinc/03/82/62/784038262.db2.gz	SLQRYEUCELKKMN-OTWHNJEPSA-N	1	0	368.481	1.788	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C[C@H]2O)C1	ZINC001025542148	790997091	/nfs/dbraw/zinc/99/70/91/790997091.db2.gz	LBIHINCAFGCDGS-GVDBMIGSSA-N	1	0	363.502	1.009	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1	ZINC000658517082	784211270	/nfs/dbraw/zinc/21/12/70/784211270.db2.gz	MGMSUGVENFOAKH-ZWKOTPCHSA-N	1	0	365.518	1.808	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2cc(OC)no2)C1	ZINC001024196649	784308419	/nfs/dbraw/zinc/30/84/19/784308419.db2.gz	ZRKOPBMIPPMFQB-HFTRVMKXSA-N	1	0	363.458	1.993	20	30		FDEDRO
N#C[C@H]1CN(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CCN1Cc1ccccc1	ZINC000892443774	784309035	/nfs/dbraw/zinc/30/90/35/784309035.db2.gz	GBIYLDGKJUSRPO-WDSOQIARSA-N	1	0	355.486	1.923	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccc(C#N)cc2)C1	ZINC001024444192	784704695	/nfs/dbraw/zinc/70/46/95/784704695.db2.gz	WDSARROOEUVEGH-ATZDWAIDSA-N	1	0	368.481	1.944	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](NC(C)=O)C2CCCC2)C[C@H]1c1ccccc1	ZINC001211631388	784789638	/nfs/dbraw/zinc/78/96/38/784789638.db2.gz	DWPKXJWWTFEALV-HBMCJLEFSA-N	1	0	367.493	1.899	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1	ZINC000364319844	784971029	/nfs/dbraw/zinc/97/10/29/784971029.db2.gz	PILIAGWIHLLITL-GUYCJALGSA-N	1	0	374.416	1.253	20	30		FDEDRO
CC(C)(C)NC(=O)CN1CCC[N@H+](C[C@H](O)c2ccc(C#N)cc2)CC1	ZINC000364404805	785048536	/nfs/dbraw/zinc/04/85/36/785048536.db2.gz	PEBHVDOGBUGQQC-SFHVURJKSA-N	1	0	358.486	1.514	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)COc1ccccc1C#N	ZINC000364547942	785092217	/nfs/dbraw/zinc/09/22/17/785092217.db2.gz	SKKDLFAQYKYHBR-NXHRZFHOSA-N	1	0	357.454	1.943	20	30		FDEDRO
N#Cc1ccccc1N1CCC[C@@H](NC(=O)NCC[N@@H+]2CCCOCC2)C1	ZINC000364734835	785158381	/nfs/dbraw/zinc/15/83/81/785158381.db2.gz	LOBIHORSIYFXKK-GOSISDBHSA-N	1	0	371.485	1.549	20	30		FDEDRO
CC1(C)C[NH2+]CC[C@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1	ZINC000892491942	785260129	/nfs/dbraw/zinc/26/01/29/785260129.db2.gz	PNEPUPVZLNZIAY-HNNXBMFYSA-N	1	0	356.474	1.563	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1	ZINC000892494816	785278387	/nfs/dbraw/zinc/27/83/87/785278387.db2.gz	ISWONYMMZYPJTC-HUUCEWRRSA-N	1	0	371.489	1.347	20	30		FDEDRO
CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000892495986	785296514	/nfs/dbraw/zinc/29/65/14/785296514.db2.gz	IASMZNLACNCTBW-MRXNPFEDSA-N	1	0	356.474	1.563	20	30		FDEDRO
CC1(C)C[NH2+]CC[C@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)C1	ZINC000892499311	785348063	/nfs/dbraw/zinc/34/80/63/785348063.db2.gz	UJWUUUDOSMNVCY-INIZCTEOSA-N	1	0	356.474	1.563	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC	ZINC000413776309	785365881	/nfs/dbraw/zinc/36/58/81/785365881.db2.gz	BUUDAJPUYBBDQU-QZTJIDSGSA-N	1	0	374.485	1.125	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000376102636	785887362	/nfs/dbraw/zinc/88/73/62/785887362.db2.gz	IZHCFMBQOJAYBF-IRXDYDNUSA-N	1	0	374.460	1.751	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COC[C@@H]2CCOC2)C[C@H]1c1ccccc1	ZINC001211682005	805653663	/nfs/dbraw/zinc/65/36/63/805653663.db2.gz	DVITYVNSEVUHML-YZGWKJHDSA-N	1	0	356.466	1.647	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccccc2C#N)O1	ZINC001024997922	787105965	/nfs/dbraw/zinc/10/59/65/787105965.db2.gz	BSSCGXVWBGATCY-NSISKUIASA-N	1	0	370.497	1.748	20	30		FDEDRO
CN1CCN(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C[C@@H]1C#N	ZINC000376322106	787285099	/nfs/dbraw/zinc/28/50/99/787285099.db2.gz	PHSPTGDBHFEQGP-FUMNGEBKSA-N	1	0	367.497	1.746	20	30		FDEDRO
CC(C)c1[nH]ccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104569413	788040205	/nfs/dbraw/zinc/04/02/05/788040205.db2.gz	XVJJYAJMFARTGN-HUUCEWRRSA-N	1	0	359.474	1.466	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000376496220	788063854	/nfs/dbraw/zinc/06/38/54/788063854.db2.gz	VNNCSZYOSLBEPM-YZGWKJHDSA-N	1	0	370.497	1.853	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1	ZINC000978865569	805849722	/nfs/dbraw/zinc/84/97/22/805849722.db2.gz	DHFKKPLEIRKXOA-TWMKSMIVSA-N	1	0	361.486	1.074	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2COCCN2C2CCCC2)C[C@H]1C	ZINC001104577521	788348689	/nfs/dbraw/zinc/34/86/89/788348689.db2.gz	ROQUYENNFBDFDG-GGPKGHCWSA-N	1	0	361.530	1.727	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1	ZINC000973320087	788570063	/nfs/dbraw/zinc/57/00/63/788570063.db2.gz	VJZWPWLQBUJURV-ZAQXRACLSA-N	1	0	372.469	1.648	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NCC=C)C1	ZINC001104607165	788848749	/nfs/dbraw/zinc/84/87/49/788848749.db2.gz	MQMBNTNOKDAIDX-HZPDHXFCSA-N	1	0	364.490	1.429	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC1	ZINC001104629831	789015673	/nfs/dbraw/zinc/01/56/73/789015673.db2.gz	MOSGPEJPKKKLPA-GDBMZVCRSA-N	1	0	361.490	1.429	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2occc2Cl)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104641171	789114296	/nfs/dbraw/zinc/11/42/96/789114296.db2.gz	CWIDSEBWBQBLID-VXGBXAGGSA-N	1	0	352.822	1.261	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCOCCOC)C2)c1	ZINC001104659149	789180672	/nfs/dbraw/zinc/18/06/72/789180672.db2.gz	FAGIFIVUVHSXBG-SJLPKXTDSA-N	1	0	359.470	1.414	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2nnn(CC)c2CC)C[C@H]1C	ZINC001104670151	789279186	/nfs/dbraw/zinc/27/91/86/789279186.db2.gz	SEKKYAIECBVYNJ-HZPDHXFCSA-N	1	0	363.506	1.751	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1	ZINC001104675096	789294390	/nfs/dbraw/zinc/29/43/90/789294390.db2.gz	QSIIKCBYVLZFHA-FPDPHYFHSA-N	1	0	368.481	1.659	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)c2c3n(c(=O)n2C)CCCC3)C[C@H]1C	ZINC001104680990	789342265	/nfs/dbraw/zinc/34/22/65/789342265.db2.gz	AXVOIUXRRRMAJN-HZPDHXFCSA-N	1	0	360.502	1.787	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)Cc2ccnc(OC)c2)C[C@H]1C	ZINC001104681951	789352646	/nfs/dbraw/zinc/35/26/46/789352646.db2.gz	UJVAGUPFVBQGAF-SJLPKXTDSA-N	1	0	359.470	1.357	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1	ZINC000659673170	789429314	/nfs/dbraw/zinc/42/93/14/789429314.db2.gz	HTMPDEIZLRYUKN-KURKYZTESA-N	1	0	363.502	1.322	20	30		FDEDRO
C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN(C)c2ccccc2)C1	ZINC001112020395	789546617	/nfs/dbraw/zinc/54/66/17/789546617.db2.gz	CPQSZQPEMFSXJL-UWJYYQICSA-N	1	0	370.497	1.396	20	30		FDEDRO
C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCC[NH2+]Cc1cccnc1	ZINC000659709258	789549959	/nfs/dbraw/zinc/54/99/59/789549959.db2.gz	ATWGAKIEMXMMHZ-ZWKOTPCHSA-N	1	0	358.486	1.929	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cccc3cc[nH]c32)C[C@H]1C	ZINC001104710652	789646140	/nfs/dbraw/zinc/64/61/40/789646140.db2.gz	HMLSQUHPIKSERV-NVXWUHKLSA-N	1	0	366.465	1.605	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c(C)c(C)sc3=O)[C@H]2C1	ZINC001083283573	791181016	/nfs/dbraw/zinc/18/10/16/791181016.db2.gz	IXWQJOVRHFQEPV-JKSUJKDBSA-N	1	0	365.499	1.404	20	30		FDEDRO
C=CCOc1ccc(CNC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1	ZINC000377197926	791232511	/nfs/dbraw/zinc/23/25/11/791232511.db2.gz	PRIIBBMYUCDHON-OALUTQOASA-N	1	0	359.470	1.992	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1C#N	ZINC000415346138	791985325	/nfs/dbraw/zinc/98/53/25/791985325.db2.gz	BNSZNOSSEUFGFL-ZIAGYGMSSA-N	1	0	358.442	1.788	20	30		FDEDRO
CC(F)(F)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCC(F)F)C1	ZINC001112033633	792091155	/nfs/dbraw/zinc/09/11/55/792091155.db2.gz	RSQKGZYPTXMJNB-HTQZYQBOSA-N	1	0	354.266	1.902	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000377526882	792122765	/nfs/dbraw/zinc/12/27/65/792122765.db2.gz	HHRFDCMZALDHEZ-JKSUJKDBSA-N	1	0	366.506	1.304	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)c1	ZINC000415418231	792215922	/nfs/dbraw/zinc/21/59/22/792215922.db2.gz	XNFLJMBDJNQULN-LLVKDONJSA-N	1	0	366.368	1.604	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1	ZINC000415432063	792259640	/nfs/dbraw/zinc/25/96/40/792259640.db2.gz	FLNOBPLAQFEDLU-GXTWGEPZSA-N	1	0	356.405	2.474	20	30		FDEDRO
C[C@H]([NH3+])C1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1	ZINC000415444850	792279459	/nfs/dbraw/zinc/27/94/59/792279459.db2.gz	RQTFJPBVPLLNDS-LBPRGKRZSA-N	1	0	356.405	2.474	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1C#N	ZINC000415451326	792286029	/nfs/dbraw/zinc/28/60/29/792286029.db2.gz	SJEXKUZPXJZHIP-ZIAGYGMSSA-N	1	0	358.442	1.870	20	30		FDEDRO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H]3C(=O)NC[C@H]3C2)cc1	ZINC000377653536	792422638	/nfs/dbraw/zinc/42/26/38/792422638.db2.gz	MNJMXMABXRKSHU-BQFCYCMXSA-N	1	0	354.454	1.698	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1	ZINC000415575491	792571205	/nfs/dbraw/zinc/57/12/05/792571205.db2.gz	XEPYUHPHBVPEGN-STQMWFEESA-N	1	0	359.430	1.141	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000415615244	792708037	/nfs/dbraw/zinc/70/80/37/792708037.db2.gz	CAIMRVUCICSHLY-BXKDBHETSA-N	1	0	370.331	1.510	20	30		FDEDRO
C#CCNC(=O)c1ccc(N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)nc1	ZINC000377749137	792714701	/nfs/dbraw/zinc/71/47/01/792714701.db2.gz	ZCRVQYCSUJLUHP-KBAYOESNSA-N	1	0	356.470	1.746	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCC[NH2+][C@H]2C)cc1	ZINC000415679007	792802050	/nfs/dbraw/zinc/80/20/50/792802050.db2.gz	OSMVNBSOHMWXMK-WFASDCNBSA-N	1	0	359.430	1.189	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)cc1	ZINC000415678503	792803533	/nfs/dbraw/zinc/80/35/33/792803533.db2.gz	OQKLMVGZTBARTM-AWEZNQCLSA-N	1	0	373.457	1.520	20	30		FDEDRO
N#Cc1cccc(-c2csc(NC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)n2)c1	ZINC000415679260	792806973	/nfs/dbraw/zinc/80/69/73/792806973.db2.gz	XZDJVCVQFPSUOR-OKILXGFUSA-N	1	0	367.434	1.298	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)O[C@@H]2CCN(c3sccc3C#N)C2=O)CC1	ZINC000923790494	792842675	/nfs/dbraw/zinc/84/26/75/792842675.db2.gz	WJWCMNLABAYVKI-CQSZACIVSA-N	1	0	363.439	1.379	20	30		FDEDRO
COC[C@]1(CNC(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)CCC[NH2+]1	ZINC000415707973	792846163	/nfs/dbraw/zinc/84/61/63/792846163.db2.gz	NBKNOGCWBWBSSZ-LJQANCHMSA-N	1	0	374.441	1.169	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(N=NC(N)=O)cc3)[C@H]2C1	ZINC001083288435	792872247	/nfs/dbraw/zinc/87/22/47/792872247.db2.gz	GEWOFWVURONPPK-JKSUJKDBSA-N	1	0	357.414	1.950	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1	ZINC000415725816	792895953	/nfs/dbraw/zinc/89/59/53/792895953.db2.gz	OJGLPVWVVACOTE-FQEVSTJZSA-N	1	0	370.453	1.143	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1	ZINC000415758529	792930378	/nfs/dbraw/zinc/93/03/78/792930378.db2.gz	DBRRQSVAZYKENG-XJKSGUPXSA-N	1	0	371.441	1.143	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1	ZINC000415758527	792930459	/nfs/dbraw/zinc/93/04/59/792930459.db2.gz	DBRRQSVAZYKENG-CZUORRHYSA-N	1	0	371.441	1.143	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1	ZINC001087425008	806203501	/nfs/dbraw/zinc/20/35/01/806203501.db2.gz	AQHPOMYBPSBMCP-IPMKNSEASA-N	1	0	353.466	1.510	20	30		FDEDRO
CN(C(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)C1CC([NH3+])C1	ZINC000415812450	793044648	/nfs/dbraw/zinc/04/46/48/793044648.db2.gz	PKZIQYXRIRCLSS-UHFFFAOYSA-N	1	0	365.393	1.632	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C[C@H]1[NH3+]	ZINC000415832990	793087053	/nfs/dbraw/zinc/08/70/53/793087053.db2.gz	HJDPMMXBFFGBAF-BXKDBHETSA-N	1	0	370.331	1.243	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@@H]1C[NH3+]	ZINC000415837957	793107100	/nfs/dbraw/zinc/10/71/00/793107100.db2.gz	CZEIKWVSKBKSKR-PWSUYJOCSA-N	1	0	366.368	1.541	20	30		FDEDRO
CCc1ccccc1[C@H]([NH3+])CNC(=O)C(=O)Nc1cc(C#N)ccc1OC	ZINC000415846467	793147786	/nfs/dbraw/zinc/14/77/86/793147786.db2.gz	SXAKLNHNZQGZLD-MRXNPFEDSA-N	1	0	366.421	1.884	20	30		FDEDRO
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@H]1C[NH2+]CCN1C	ZINC000415849775	793196592	/nfs/dbraw/zinc/19/65/92/793196592.db2.gz	FWTXEAMVCKUPEW-MRXNPFEDSA-N	1	0	358.486	1.497	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCC2CCOCC2)C[C@H]1C	ZINC001104753333	793200813	/nfs/dbraw/zinc/20/08/13/793200813.db2.gz	ZXLPZGAUGXFLGH-SJLPKXTDSA-N	1	0	363.502	1.017	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CNc2cc(S(N)(=O)=O)ccc2C#N)[C@@H]1c1cccnc1	ZINC000377981021	793308319	/nfs/dbraw/zinc/30/83/19/793308319.db2.gz	DCOGDDRARZQNHM-YJBOKZPZSA-N	1	0	371.466	1.706	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1	ZINC000415902420	793352618	/nfs/dbraw/zinc/35/26/18/793352618.db2.gz	YHYJSLOPUMTGHS-KBPBESRZSA-N	1	0	371.441	1.001	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(Cl)cs2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104757860	793489157	/nfs/dbraw/zinc/48/91/57/793489157.db2.gz	PYVNBBKARFSBCA-VXGBXAGGSA-N	1	0	368.890	1.729	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cnc(C3CC3)nc2)C[C@H]1C	ZINC001104759508	793500570	/nfs/dbraw/zinc/50/05/70/793500570.db2.gz	MPVMOZLJIOSBKR-GDBMZVCRSA-N	1	0	371.485	1.344	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1CC[NH2+]Cc1ccccc1C#N	ZINC001104765496	793537669	/nfs/dbraw/zinc/53/76/69/793537669.db2.gz	GWTNCJDSCZNLDB-CRAIPNDOSA-N	1	0	356.470	1.611	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)C[C@H]1C	ZINC001104769528	793556900	/nfs/dbraw/zinc/55/69/00/793556900.db2.gz	XRFNTCFSEKTMDZ-OAGGEKHMSA-N	1	0	359.536	1.211	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCOCC=C)C2)nn1	ZINC001104777319	793599064	/nfs/dbraw/zinc/59/90/64/793599064.db2.gz	FCDBQDDBGUPSRC-IAGOWNOFSA-N	1	0	361.490	1.745	20	30		FDEDRO
C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C[C@H]1C	ZINC001104781655	793628970	/nfs/dbraw/zinc/62/89/70/793628970.db2.gz	BBBHGNFWCVGDBQ-PHXBYCTMSA-N	1	0	370.497	1.861	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCOC)C1	ZINC001104782507	793632531	/nfs/dbraw/zinc/63/25/31/793632531.db2.gz	FNOUZVRWCBEQNM-YRXWBPOGSA-N	1	0	368.518	1.705	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCC)C1	ZINC001104782665	793633028	/nfs/dbraw/zinc/63/30/28/793633028.db2.gz	NIMVHIYRWGUZPS-VXNCWWDNSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C(N)=O)s2)C[C@H]1C	ZINC001104787741	793678366	/nfs/dbraw/zinc/67/83/66/793678366.db2.gz	PINQCBGPFFLDKC-ZIAGYGMSSA-N	1	0	365.499	1.737	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)n2cccn2)C[C@H]1C(F)(F)F	ZINC001112051874	793795220	/nfs/dbraw/zinc/79/52/20/793795220.db2.gz	OAVGPYNQBZQCFB-BFHYXJOUSA-N	1	0	358.364	1.073	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccc(OC)o2)C[C@H]1C	ZINC001104828530	793936294	/nfs/dbraw/zinc/93/62/94/793936294.db2.gz	JSVQKIWBBZSVIQ-RBSFLKMASA-N	1	0	363.458	1.667	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCC[N@H+](C)C1CCCC1	ZINC000181828345	793984784	/nfs/dbraw/zinc/98/47/84/793984784.db2.gz	AANSGYJLZJBMIM-AWEZNQCLSA-N	1	0	358.442	1.907	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2(CC)CCOCC2)C[C@H]1C	ZINC001104848582	794052271	/nfs/dbraw/zinc/05/22/71/794052271.db2.gz	NVALTSKPGPKNCB-IAGOWNOFSA-N	1	0	363.502	1.017	20	30		FDEDRO
C[C@H]1COCC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000378445985	794145876	/nfs/dbraw/zinc/14/58/76/794145876.db2.gz	VZNNHIVRXWUXES-APWZRJJASA-N	1	0	374.460	1.503	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2oc(CC)nc2C)C[C@H]1C	ZINC001104872433	794168672	/nfs/dbraw/zinc/16/86/72/794168672.db2.gz	IAJDRTZFBAIYKO-UKRRQHHQSA-N	1	0	362.474	1.535	20	30		FDEDRO
CCc1oc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)cc1C	ZINC001104902205	794309692	/nfs/dbraw/zinc/30/96/92/794309692.db2.gz	KHBIITLMLUSRFT-HUUCEWRRSA-N	1	0	360.458	1.478	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)c2cc(=O)n3[nH]cnc3n2)C[C@H]1C	ZINC001104902521	794310635	/nfs/dbraw/zinc/31/06/35/794310635.db2.gz	XNWYTEITEKLHNA-ZIAGYGMSSA-N	1	0	358.446	1.072	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(CC)CC)C2)nc1	ZINC001104923908	794419582	/nfs/dbraw/zinc/41/95/82/794419582.db2.gz	CPXKFXANXVZRAT-SJLPKXTDSA-N	1	0	370.497	1.619	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(Cl)cn2)C[C@H]1C	ZINC001104930720	794433855	/nfs/dbraw/zinc/43/38/55/794433855.db2.gz	AFGAVJKYHINJPA-ZIAGYGMSSA-N	1	0	362.861	1.172	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1	ZINC000974125279	794461882	/nfs/dbraw/zinc/46/18/82/794461882.db2.gz	KKRAODZHQMQGQF-ADHGMGHFSA-N	1	0	363.502	1.604	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccc(OC)cc2)C[C@H]1C	ZINC001104944852	794506540	/nfs/dbraw/zinc/50/65/40/794506540.db2.gz	YNDFRYRQCPUCHZ-JFIYKMOQSA-N	1	0	371.481	1.521	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(N(C)C)cc2)C[C@H]1C	ZINC001104948967	794527603	/nfs/dbraw/zinc/52/76/03/794527603.db2.gz	YOLKBHCHLRVFBZ-SJLPKXTDSA-N	1	0	370.497	1.190	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](OC)C2CCCC2)C[C@H]1C	ZINC001104958428	794584156	/nfs/dbraw/zinc/58/41/56/794584156.db2.gz	UYXXYHRPLZOLKE-SUMDDJOVSA-N	1	0	363.502	1.015	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2c(C)nn(C)c2F)C[C@H]1C	ZINC001104961556	794590501	/nfs/dbraw/zinc/59/05/01/794590501.db2.gz	JUAHTELOZBAIAB-UKRRQHHQSA-N	1	0	352.454	1.758	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]C[C@H](O)COC)C2)CCOCC1	ZINC001104959522	794593471	/nfs/dbraw/zinc/59/34/71/794593471.db2.gz	FNZCBDWBZZCLCB-KURKYZTESA-N	1	0	368.518	1.441	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)c2nc3nccc(C)n3n2)C[C@H]1C	ZINC001104975953	794692135	/nfs/dbraw/zinc/69/21/35/794692135.db2.gz	BYIICWDUQWLDBQ-BXUZGUMPSA-N	1	0	362.865	1.873	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2ccccc2C)C[C@H]1C	ZINC001104994421	794765407	/nfs/dbraw/zinc/76/54/07/794765407.db2.gz	PALRZHSEVHEVPB-WSTZPKSXSA-N	1	0	369.509	1.750	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN(C)CC(=O)NC2CC[NH+](C3CC3)CC2)c1	ZINC000053206858	794982121	/nfs/dbraw/zinc/98/21/21/794982121.db2.gz	QCXKZKKRFFQMFN-UHFFFAOYSA-N	1	0	368.481	1.281	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)c2cc(C)oc2C)C[C@H]1C	ZINC001105032005	794993484	/nfs/dbraw/zinc/99/34/84/794993484.db2.gz	SHQVFWNHRPQPDY-RHSMWYFYSA-N	1	0	359.470	1.724	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@]2(C)CC=C(C)CC2)C[C@H]1C	ZINC001105044794	795051324	/nfs/dbraw/zinc/05/13/24/795051324.db2.gz	BXRAAOIXDBUORZ-OPYAIIAOSA-N	1	0	359.514	1.947	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1	ZINC000974285411	795061462	/nfs/dbraw/zinc/06/14/62/795061462.db2.gz	UETBJPDYLCGGJD-NONVJHHQSA-N	1	0	368.437	1.611	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2ccc(C)s2)C[C@H]1C	ZINC001105060656	795103057	/nfs/dbraw/zinc/10/30/57/795103057.db2.gz	OWIAEONIZYDQAZ-GDBMZVCRSA-N	1	0	361.511	1.423	20	30		FDEDRO
C=CCc1cc(CNC(=O)NCCN2CC[NH2+]CC2)cc(OC)c1OC	ZINC000417388449	795177999	/nfs/dbraw/zinc/17/79/99/795177999.db2.gz	ORPZICKXGKVIIV-UHFFFAOYSA-N	1	0	362.474	1.137	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCCC2=O)C1	ZINC001105090333	795234219	/nfs/dbraw/zinc/23/42/19/795234219.db2.gz	RCYPZNRRTVVAIC-IAGOWNOFSA-N	1	0	351.491	1.276	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCCC2=O)C1	ZINC001105090848	795238194	/nfs/dbraw/zinc/23/81/94/795238194.db2.gz	LSGHCCXNMXMJIA-IXDOHACOSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC(C)(C)C)C1	ZINC001105090849	795238461	/nfs/dbraw/zinc/23/84/61/795238461.db2.gz	LSQCMCRZSPAWDY-BRWVUGGUSA-N	1	0	367.534	1.814	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)c(OC)c1	ZINC000278828567	795301641	/nfs/dbraw/zinc/30/16/41/795301641.db2.gz	IFMULHAKJZMJCZ-OXJNMPFZSA-N	1	0	360.454	1.375	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC(C)C)C(N)=O)C[C@H]1C	ZINC001105114253	795328219	/nfs/dbraw/zinc/32/82/19/795328219.db2.gz	LXEGLYXXRYUJGY-ZACQAIPSSA-N	1	0	353.507	1.411	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cccc(-n3ccnn3)c2)C[C@H]1C	ZINC001105114938	795333161	/nfs/dbraw/zinc/33/31/61/795333161.db2.gz	GZNLAPQTUFXTKU-SJLPKXTDSA-N	1	0	351.454	1.978	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)C(CC)CC)C[C@H]1C	ZINC001105125451	795364831	/nfs/dbraw/zinc/36/48/31/795364831.db2.gz	NGXCXASAKXYZIT-SJLPKXTDSA-N	1	0	367.534	1.816	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC([NH2+]Cc2ncnn2CCF)CC1	ZINC001026563798	795558076	/nfs/dbraw/zinc/55/80/76/795558076.db2.gz	HGGYTMQMIYZDON-FJBKBRRZSA-N	1	0	365.453	1.356	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)N[C@H](C[NH3+])C3CCCCC3)CC2)n1	ZINC000418362820	795823908	/nfs/dbraw/zinc/82/39/08/795823908.db2.gz	MJVUDLREJKPRHV-QGZVFWFLSA-N	1	0	356.474	1.692	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]([NH3+])c1ccccc1	ZINC000418423153	795900525	/nfs/dbraw/zinc/90/05/25/795900525.db2.gz	FIVPKJXKOKPSAE-GDBMZVCRSA-N	1	0	365.441	1.268	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C[C@]12c1ccccc1NC2=O	ZINC000418424044	795903079	/nfs/dbraw/zinc/90/30/79/795903079.db2.gz	JUKAVNXNIHWAHP-NOAAKOMESA-N	1	0	367.453	1.559	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CCN(C(=O)NC[C@@H]([NH3+])c3ccccc3)C2)nc1	ZINC000418453370	795941406	/nfs/dbraw/zinc/94/14/06/795941406.db2.gz	PBMVJHHQPUFBSA-DLBZAZTESA-N	1	0	351.410	1.816	20	30		FDEDRO
Cc1ncc([N+](=O)[O-])n1CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC001125943337	795949651	/nfs/dbraw/zinc/94/96/51/795949651.db2.gz	YCKSVNFICMZTPX-UHFFFAOYSA-N	1	0	370.413	1.562	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000979861061	806548350	/nfs/dbraw/zinc/54/83/50/806548350.db2.gz	LEDCZUHHZQGXTF-KKFZBWNWSA-N	1	0	363.502	1.319	20	30		FDEDRO
C#Cc1ccc(C(=O)N(CCC(=O)OCC)C[C@H]2CCC[N@@H+]2CC)nc1	ZINC000728862379	806604016	/nfs/dbraw/zinc/60/40/16/806604016.db2.gz	IIYUNORUTWZDTM-QGZVFWFLSA-N	1	0	357.454	1.943	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000980041710	806707290	/nfs/dbraw/zinc/70/72/90/806707290.db2.gz	YJIOSRVQYGTFKL-UWIFEVILSA-N	1	0	368.437	1.550	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000980069500	806728646	/nfs/dbraw/zinc/72/86/46/806728646.db2.gz	WCZYADNLSXJMOU-UWIFEVILSA-N	1	0	368.437	1.550	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)CCn4cncn4)[C@@H]3C2)cc1	ZINC001075555795	799762674	/nfs/dbraw/zinc/76/26/74/799762674.db2.gz	OJEAECVLDNPNKO-ZWKOTPCHSA-N	1	0	350.426	1.273	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCNS(C)(=O)=O)C1	ZINC001112523453	799942399	/nfs/dbraw/zinc/94/23/99/799942399.db2.gz	UMNUPNFRUHGNIG-SZMVWBNQSA-N	1	0	371.547	1.356	20	30		FDEDRO
C=C(C)Cn1c(-c2ccc(=O)n(C)c2)nnc1N1CC[NH+](CC2CC2)CC1	ZINC000909339689	800068857	/nfs/dbraw/zinc/06/88/57/800068857.db2.gz	OYYMRBAZQVHXAB-UHFFFAOYSA-N	1	0	368.485	1.752	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]32)cc1	ZINC000974701157	800119300	/nfs/dbraw/zinc/11/93/00/800119300.db2.gz	KUMWEOGXUCHYGG-AQNXPRMDSA-N	1	0	367.493	1.927	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)CCN2CC[NH+](Cc3ccccc3)CC2)C1=O	ZINC000511805597	800242378	/nfs/dbraw/zinc/24/23/78/800242378.db2.gz	GVJPSTRRDYNQBZ-HXUWFJFHSA-N	1	0	356.514	1.523	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)cc1	ZINC000662516609	806817591	/nfs/dbraw/zinc/81/75/91/806817591.db2.gz	DTILVPXKZORBTQ-MRXNPFEDSA-N	1	0	368.441	1.761	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1	ZINC000511974781	806819178	/nfs/dbraw/zinc/81/91/78/806819178.db2.gz	UFQCPKNEQITYHX-UHFFFAOYSA-N	1	0	354.454	1.650	20	30		FDEDRO
C=CC[C@@]1(C(=O)N[C@@H](C)c2ccc(S(=O)(=O)NC)cc2)CCC[NH2+]1	ZINC000662531811	806831887	/nfs/dbraw/zinc/83/18/87/806831887.db2.gz	JEZWAGCJTXTVEI-GUYCJALGSA-N	1	0	351.472	1.470	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C(C)(C)C1	ZINC000974883383	800484143	/nfs/dbraw/zinc/48/41/43/800484143.db2.gz	WTILIVXCUKTXIJ-FGTMMUONSA-N	1	0	365.518	1.269	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)CC1	ZINC000660596242	800641362	/nfs/dbraw/zinc/64/13/62/800641362.db2.gz	AXQIRDHPDDPZMD-MRXNPFEDSA-N	1	0	350.507	1.973	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ncnn2CC(F)F)C1	ZINC001027074716	800885760	/nfs/dbraw/zinc/88/57/60/800885760.db2.gz	FSKINWZQIANWGR-MCIONIFRSA-N	1	0	369.416	1.072	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cnc(OC)nc2C)C1	ZINC001027075219	800887801	/nfs/dbraw/zinc/88/78/01/800887801.db2.gz	OBUAMAFXYCOPBG-UAGQMJEPSA-N	1	0	360.458	1.323	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)C[N@H+]4CCC[C@@H]4C)[C@@H]3C2)cn1	ZINC000975215234	801013007	/nfs/dbraw/zinc/01/30/07/801013007.db2.gz	XEPLTRSIQFUXIF-KVSKMBFKSA-N	1	0	366.465	1.220	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3nn[nH]c32)C[C@H]1c1ccccc1	ZINC001211661718	801019107	/nfs/dbraw/zinc/01/91/07/801019107.db2.gz	HPPQSEWMWZPDSR-ZIFCJYIRSA-N	1	0	363.465	1.832	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000975313027	801162882	/nfs/dbraw/zinc/16/28/82/801162882.db2.gz	XMZVBHIGXUXWKF-JKIFEVAISA-N	1	0	357.458	1.195	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H](C)C(C)C)[C@@H]3C2)CC1	ZINC000975333981	801188977	/nfs/dbraw/zinc/18/89/77/801188977.db2.gz	RMEGGLBLSAYOQA-QXAKKESOSA-N	1	0	359.514	1.683	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@H]2C1	ZINC000975790140	802343394	/nfs/dbraw/zinc/34/33/94/802343394.db2.gz	SHNSTVFUKYPKHE-SZMVWBNQSA-N	1	0	369.469	1.434	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(CC[NH2+][C@@H]2CCNC2=O)cc1	ZINC001027254814	802639866	/nfs/dbraw/zinc/63/98/66/802639866.db2.gz	PSNIEWFIKMJTOO-OTWHNJEPSA-N	1	0	371.481	1.305	20	30		FDEDRO
O=C(C[NH2+][C@H](CO)C1CCC1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000661154182	802883566	/nfs/dbraw/zinc/88/35/66/802883566.db2.gz	RIVPSKXTYPBQSH-MRXNPFEDSA-N	1	0	354.372	1.924	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)NCC1CC[NH+](C2CCOCC2)CC1	ZINC000661278052	803197877	/nfs/dbraw/zinc/19/78/77/803197877.db2.gz	HINLKDJVOUGOHS-MSOLQXFVSA-N	1	0	351.491	1.910	20	30		FDEDRO
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1	ZINC000661314011	803239477	/nfs/dbraw/zinc/23/94/77/803239477.db2.gz	ZADPDGZTPZVZLU-HDICACEKSA-N	1	0	362.518	1.676	20	30		FDEDRO
C=CC[C@H]1CCCN(CC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)C1	ZINC000661376639	803402090	/nfs/dbraw/zinc/40/20/90/803402090.db2.gz	FMKGXARDNYLUIL-DLBZAZTESA-N	1	0	356.532	1.946	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC000976478673	803434922	/nfs/dbraw/zinc/43/49/22/803434922.db2.gz	WYZBPSXCOULDOY-QMCVQRASSA-N	1	0	371.485	1.774	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CC2(C)C)CC1	ZINC000976545768	803509253	/nfs/dbraw/zinc/50/92/53/803509253.db2.gz	YHHIDENXWVRNCR-RCCFBDPRSA-N	1	0	359.514	1.921	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C23CC[NH+](CC2)C3)c[nH]1	ZINC000976556314	803521383	/nfs/dbraw/zinc/52/13/83/803521383.db2.gz	SSZTWCMRFLJOSR-HZPDHXFCSA-N	1	0	355.442	1.139	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]21	ZINC000976589653	803570783	/nfs/dbraw/zinc/57/07/83/803570783.db2.gz	NEHOTBAMVLSBJW-SOMFZHDCSA-N	1	0	361.486	1.025	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1	ZINC000423085258	814957854	/nfs/dbraw/zinc/95/78/54/814957854.db2.gz	JONUNXUNQHAFTQ-GOSISDBHSA-N	1	0	354.454	1.365	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C2)CCC[NH2+]1	ZINC000662849311	803673279	/nfs/dbraw/zinc/67/32/79/803673279.db2.gz	GZRABVMNRMLULS-WZRBSPASSA-N	1	0	354.394	1.119	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1	ZINC000423124500	814966944	/nfs/dbraw/zinc/96/69/44/814966944.db2.gz	MOTKNRVMJFOSRF-ZWKOTPCHSA-N	1	0	354.454	1.365	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2nc(C)c[nH]2)CC1	ZINC000976738808	803807691	/nfs/dbraw/zinc/80/76/91/803807691.db2.gz	KDNSPUPFRREUQO-IAGOWNOFSA-N	1	0	371.485	1.221	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C[C@H](C)[NH2+]1	ZINC000423146354	814972504	/nfs/dbraw/zinc/97/25/04/814972504.db2.gz	AICBNRYIZJQMBY-GJZGRUSLSA-N	1	0	370.453	1.137	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1	ZINC000423184757	814983650	/nfs/dbraw/zinc/98/36/50/814983650.db2.gz	IPRJCMKYTPNWNE-MSOLQXFVSA-N	1	0	352.438	1.283	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@H+](C)C[C@H]2COCCO2)c(OC)c1	ZINC000661607204	804243842	/nfs/dbraw/zinc/24/38/42/804243842.db2.gz	QBNFJPSBFKDPDI-IRXDYDNUSA-N	1	0	351.443	1.511	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C[N@H+]2CC[C@@H](C)C2)cn1	ZINC000977028249	804300062	/nfs/dbraw/zinc/30/00/62/804300062.db2.gz	BHIMDVPKECAOFY-ATZDWAIDSA-N	1	0	368.481	1.562	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1	ZINC000423221293	815008033	/nfs/dbraw/zinc/00/80/33/815008033.db2.gz	ZDMSNJILLHMJHF-JKSUJKDBSA-N	1	0	372.425	1.177	20	30		FDEDRO
C=CCN(CC1CCCCC1)C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1	ZINC000423313492	815033701	/nfs/dbraw/zinc/03/37/01/815033701.db2.gz	ULNFBMURMPPBDO-GOSISDBHSA-N	1	0	362.518	1.087	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1c1ccccc1	ZINC001211673451	804826225	/nfs/dbraw/zinc/82/62/25/804826225.db2.gz	KGZXBOSRPAXQTB-SESVDKBCSA-N	1	0	369.509	1.705	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1	ZINC000663013807	804883185	/nfs/dbraw/zinc/88/31/85/804883185.db2.gz	ARKIWQRZKMEPKP-HZPDHXFCSA-N	1	0	361.490	1.507	20	30		FDEDRO
C=CCOCCCC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1	ZINC000663018031	804901341	/nfs/dbraw/zinc/90/13/41/804901341.db2.gz	MTGCJEXNCJZNPE-MRXNPFEDSA-N	1	0	361.490	1.508	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@@H](CC)C(N)=O)C2)c1	ZINC001112526941	805056020	/nfs/dbraw/zinc/05/60/20/805056020.db2.gz	DIZSGIGJWFIJCZ-ZWOKBUDYSA-N	1	0	354.454	1.159	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN(c4ccccn4)C[C@H]3C)[C@@H]2C1	ZINC000978163282	805227885	/nfs/dbraw/zinc/22/78/85/805227885.db2.gz	BNDYUPDOHCUIAZ-NNIGNNQHSA-N	1	0	352.482	1.471	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)N(C)C)C1	ZINC001211676971	805285667	/nfs/dbraw/zinc/28/56/67/805285667.db2.gz	XLPSGGGRGBVTRF-HCXYKTFWSA-N	1	0	371.481	1.250	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1	ZINC001087429832	807015076	/nfs/dbraw/zinc/01/50/76/807015076.db2.gz	GEXDJVKSYRMIQT-IEBWSBKVSA-N	1	0	366.465	1.944	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1	ZINC000980579306	807078295	/nfs/dbraw/zinc/07/82/95/807078295.db2.gz	MOFBVTQTDZBIKS-TVFCKZIOSA-N	1	0	363.502	1.320	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CN2CCCNC2=O)C1	ZINC001087431253	807188516	/nfs/dbraw/zinc/18/85/16/807188516.db2.gz	GSQJHHXBPQHFHQ-RTBURBONSA-N	1	0	370.497	1.952	20	30		FDEDRO
C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1	ZINC000423530603	815102882	/nfs/dbraw/zinc/10/28/82/815102882.db2.gz	RKLHILWTXRUSNX-KZNAEPCWSA-N	1	0	354.454	1.495	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1	ZINC000423517194	815109014	/nfs/dbraw/zinc/10/90/14/815109014.db2.gz	BFRKSJPSAIIYBB-WZGPROSRSA-N	1	0	368.481	1.871	20	30		FDEDRO
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N1CCC(C[NH3+])CC1	ZINC000423520715	815110699	/nfs/dbraw/zinc/11/06/99/815110699.db2.gz	FQMDUZCXNISQDC-ROUUACIJSA-N	1	0	354.454	1.482	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCO[C@H]1C=C)C2	ZINC001112532833	807539591	/nfs/dbraw/zinc/53/95/91/807539591.db2.gz	ZCICSDDIWXVVDV-CLWJZODNSA-N	1	0	361.486	1.098	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000981167248	807631874	/nfs/dbraw/zinc/63/18/74/807631874.db2.gz	QIVMRYIQVLGOQN-YHUYYLMFSA-N	1	0	371.485	1.631	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccn(C)c(=O)c2)CC1	ZINC000981190128	807689324	/nfs/dbraw/zinc/68/93/24/807689324.db2.gz	RFFTYRHSWNLKGJ-MSOLQXFVSA-N	1	0	359.470	1.401	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C2CC2)cc1	ZINC000423569430	815140042	/nfs/dbraw/zinc/14/00/42/815140042.db2.gz	MLMNFCKTEKKOFN-JQHSSLGASA-N	1	0	352.438	1.245	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1	ZINC000981194251	807698972	/nfs/dbraw/zinc/69/89/72/807698972.db2.gz	BXXOSGZKIZAMFX-OFQRWUPVSA-N	1	0	357.458	1.385	20	30		FDEDRO
C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)CCOCc1ccc(C#N)cc1	ZINC000423701839	815200865	/nfs/dbraw/zinc/20/08/65/815200865.db2.gz	XIKPHCBEQPFVNS-CRAIPNDOSA-N	1	0	372.469	1.262	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2CC[C@H](CNC(=O)C34CCC[NH+]3CCC4)C2)c[nH]1	ZINC000981770463	808489321	/nfs/dbraw/zinc/48/93/21/808489321.db2.gz	ZRIXNNFAJWETHW-GOEBONIOSA-N	1	0	369.469	1.529	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1	ZINC000423720589	815213509	/nfs/dbraw/zinc/21/35/09/815213509.db2.gz	DHRDJJXITQILIT-RBUKOAKNSA-N	1	0	368.481	1.897	20	30		FDEDRO
C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCO[C@H]3c3cnn(C)c3)C2)C1	ZINC000981818879	808552316	/nfs/dbraw/zinc/55/23/16/808552316.db2.gz	GTQKQSMSIZVIGE-MSOLQXFVSA-N	1	0	356.470	1.445	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1	ZINC000981844278	808609589	/nfs/dbraw/zinc/60/95/89/808609589.db2.gz	LOAUFUHGQYCOTB-YXJHDRRASA-N	1	0	354.454	1.029	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)cc1	ZINC001028141169	808632158	/nfs/dbraw/zinc/63/21/58/808632158.db2.gz	HSWBMWYYGPGBFW-FGTMMUONSA-N	1	0	354.454	1.540	20	30		FDEDRO
C#CCOCCOCC[NH2+]C1CCN(C(=O)c2cccc(OC)c2)CC1	ZINC001167857248	808717335	/nfs/dbraw/zinc/71/73/35/808717335.db2.gz	NBTQIRMUBJDJBS-UHFFFAOYSA-N	1	0	360.454	1.556	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C	ZINC000279291357	808728526	/nfs/dbraw/zinc/72/85/26/808728526.db2.gz	JXUXLBBNADLTTM-HNNXBMFYSA-N	1	0	370.453	1.517	20	30		FDEDRO
CC(C)N1CCO[C@H](C(=O)N[C@@H]2CN(CC#N)CC[C@@H]2c2ccccc2)C1	ZINC001087435367	808781803	/nfs/dbraw/zinc/78/18/03/808781803.db2.gz	LZSBNUSZAKPDHY-AQNXPRMDSA-N	1	0	370.497	1.593	20	30		FDEDRO
C[C@H]([NH2+]CCCC#N)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1	ZINC000753731115	808902117	/nfs/dbraw/zinc/90/21/17/808902117.db2.gz	BCRJMPRGKJGJML-LBPRGKRZSA-N	1	0	359.473	1.367	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCCc1nc(C)no1	ZINC001028195176	808969489	/nfs/dbraw/zinc/96/94/89/808969489.db2.gz	LCLDAVWEORRYCF-BQFCYCMXSA-N	1	0	362.474	1.872	20	30		FDEDRO
C[NH+]=C(NCCc1cn2ccccc2n1)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000261642241	809131447	/nfs/dbraw/zinc/13/14/47/809131447.db2.gz	AHYMTZPDQQEOGC-UHFFFAOYSA-N	1	0	370.501	1.783	20	30		FDEDRO
C[C@@H](CCC[NH3+])NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000418701657	809141847	/nfs/dbraw/zinc/14/18/47/809141847.db2.gz	KKAOGUBMHZHURM-AWEZNQCLSA-N	1	0	369.473	1.685	20	30		FDEDRO
C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C[C@@]2(C)C1	ZINC000982308247	809201920	/nfs/dbraw/zinc/20/19/20/809201920.db2.gz	UXSHEMSKNWHUCI-CLWVCHIJSA-N	1	0	362.392	1.689	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@H]1c1ccccc1	ZINC001211718484	809215323	/nfs/dbraw/zinc/21/53/23/809215323.db2.gz	PFGDCHKOTBURCV-RBUKOAKNSA-N	1	0	365.433	1.635	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1c1ccccc1	ZINC001211718656	809223604	/nfs/dbraw/zinc/22/36/04/809223604.db2.gz	ZRSQREKUGAURJH-FUHWJXTLSA-N	1	0	350.422	1.001	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(F)nc4)[C@@H]3C2)C1=O	ZINC001075623222	809225769	/nfs/dbraw/zinc/22/57/69/809225769.db2.gz	HFQQIPWNZRNSSY-ARFHVFGLSA-N	1	0	358.417	1.154	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2c[nH]cc2C)C[C@H]1c1ccccc1	ZINC001211720242	809253799	/nfs/dbraw/zinc/25/37/99/809253799.db2.gz	COGIVONGPVBSME-RBUKOAKNSA-N	1	0	366.465	1.823	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2CCN(C(N)=O)CC2)C[C@H]1c1ccccc1	ZINC001211720161	809255349	/nfs/dbraw/zinc/25/53/49/809255349.db2.gz	BJBYBOFNCXEYOK-RBUKOAKNSA-N	1	0	368.481	1.385	20	30		FDEDRO
COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)NCC2(CC#N)CC2)cc1	ZINC000418836255	809256700	/nfs/dbraw/zinc/25/67/00/809256700.db2.gz	UJBBZWCDFUECPW-DLBZAZTESA-N	1	0	370.453	1.067	20	30		FDEDRO
N#CCC1(CNC(=O)C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CC1	ZINC000418837184	809257262	/nfs/dbraw/zinc/25/72/62/809257262.db2.gz	VVTCUJVOPSGQQJ-QGZVFWFLSA-N	1	0	350.422	1.766	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C)cc(F)c1)C2	ZINC001112534623	809277856	/nfs/dbraw/zinc/27/78/56/809277856.db2.gz	VUHAVJSTJGRNPO-UWJYYQICSA-N	1	0	371.456	1.715	20	30		FDEDRO
C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	ZINC000419039184	809446743	/nfs/dbraw/zinc/44/67/43/809446743.db2.gz	VILOXKWWPXAKFF-ODIFPOPNSA-N	1	0	372.469	1.336	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1	ZINC000419061893	809500211	/nfs/dbraw/zinc/50/02/11/809500211.db2.gz	VMQKZRSFKUBJHA-RDGPPVDQSA-N	1	0	355.482	1.876	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)CC)C[C@H]1c1ccccc1	ZINC001211730312	809674770	/nfs/dbraw/zinc/67/47/70/809674770.db2.gz	VKSMTAPHJUQEIL-DLBZAZTESA-N	1	0	350.484	1.581	20	30		FDEDRO
O=C(NCC#C[C@@H]1CCCCO1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000893740607	809693397	/nfs/dbraw/zinc/69/33/97/809693397.db2.gz	JJTLVQFOMNZNIF-IPMKNSEASA-N	1	0	363.502	1.626	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1	ZINC000473283217	809712092	/nfs/dbraw/zinc/71/20/92/809712092.db2.gz	LSVDEYHILQTQTQ-QGZVFWFLSA-N	1	0	354.454	1.996	20	30		FDEDRO
C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@@H]([NH3+])CCCC#N)cc2)C[C@@H](C)O1	ZINC000424136695	815315503	/nfs/dbraw/zinc/31/55/03/815315503.db2.gz	REOLBTRGKKAJCW-MDZRGWNJSA-N	1	0	358.486	1.933	20	30		FDEDRO
C=CCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000424138785	815315830	/nfs/dbraw/zinc/31/58/30/815315830.db2.gz	MWZYQBGMTOCKOZ-YOEHRIQHSA-N	1	0	353.430	1.759	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N(CCCN1CCOCC1)Cc1ccncc1	ZINC000424169764	815322391	/nfs/dbraw/zinc/32/23/91/815322391.db2.gz	ALXXRGRURYQZLB-SFHVURJKSA-N	1	0	359.474	1.154	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)N2CCC2)C1	ZINC001211736108	809925083	/nfs/dbraw/zinc/92/50/83/809925083.db2.gz	IDORQIRZBYZDMP-NZSAHSFTSA-N	1	0	371.481	1.394	20	30		FDEDRO
C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000894099582	809961723	/nfs/dbraw/zinc/96/17/23/809961723.db2.gz	SSTCDTBFQCSSOW-SZMVWBNQSA-N	1	0	367.453	1.399	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCN(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)[C@@H]2C1	ZINC000894099580	809961801	/nfs/dbraw/zinc/96/18/01/809961801.db2.gz	SSTCDTBFQCSSOW-RYQLBKOJSA-N	1	0	367.453	1.399	20	30		FDEDRO
C=CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2COC(=O)N2)C1	ZINC001087454999	810055105	/nfs/dbraw/zinc/05/51/05/810055105.db2.gz	VLIISPFPEZAKJV-ZACQAIPSSA-N	1	0	361.417	1.784	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCN(C(=O)C(C)C)CC1	ZINC000261707051	810075365	/nfs/dbraw/zinc/07/53/65/810075365.db2.gz	UTIORAZSNDSTSO-BBWFWOEESA-N	1	0	362.518	1.710	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1	ZINC000645121167	810097141	/nfs/dbraw/zinc/09/71/41/810097141.db2.gz	UOCXHNODKKYOPM-HKUYNNGSSA-N	1	0	359.470	1.906	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCN(C)C2=O)C1	ZINC001087457575	810203537	/nfs/dbraw/zinc/20/35/37/810203537.db2.gz	HYZVXODHOYMLHK-GUDVDZBRSA-N	1	0	371.456	1.601	20	30		FDEDRO
C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1	ZINC000669331568	810288705	/nfs/dbraw/zinc/28/87/05/810288705.db2.gz	LCXWGRONVZWCIZ-OAHLLOKOSA-N	1	0	358.494	1.818	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@]2(C)CN(Cc3cnns3)C[C@@]2(C)C1	ZINC000982574445	810413124	/nfs/dbraw/zinc/41/31/24/810413124.db2.gz	NLBCWIMCGJJRIC-ATLSCFEFSA-N	1	0	362.499	1.800	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2	ZINC000424501376	815378427	/nfs/dbraw/zinc/37/84/27/815378427.db2.gz	FBWKTKRYTPCPQT-INIZCTEOSA-N	1	0	371.481	1.858	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)C1	ZINC001028545529	810630964	/nfs/dbraw/zinc/63/09/64/810630964.db2.gz	HYNDHCQTBZAQDJ-FHLIZLRMSA-N	1	0	354.454	1.411	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)C1	ZINC001028546010	810632185	/nfs/dbraw/zinc/63/21/85/810632185.db2.gz	PKTBKJNDCOYYGT-DVOMOZLQSA-N	1	0	360.483	1.473	20	30		FDEDRO
CC[NH+]=C(NCCc1ccco1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1	ZINC000261761211	810743676	/nfs/dbraw/zinc/74/36/76/810743676.db2.gz	MZQFJPOBUSWHQJ-SFHVURJKSA-N	1	0	361.446	1.098	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1	ZINC000982779854	810850430	/nfs/dbraw/zinc/85/04/30/810850430.db2.gz	WKBQAYNGBDPSNM-LNLFQRSKSA-N	1	0	363.502	1.418	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2nccnc2N)C1	ZINC001087462796	810873792	/nfs/dbraw/zinc/87/37/92/810873792.db2.gz	AOKMHJIRLXECLT-IAGOWNOFSA-N	1	0	367.428	1.809	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1	ZINC000424694055	815414873	/nfs/dbraw/zinc/41/48/73/815414873.db2.gz	KCIIPUXCCOXPQD-LJQANCHMSA-N	1	0	355.442	1.221	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(C(=O)COc3cccc(C#N)c3)CC2)c1	ZINC000729422951	811245696	/nfs/dbraw/zinc/24/56/96/811245696.db2.gz	CAQPAACQLMCIQP-UHFFFAOYSA-N	1	0	352.394	1.689	20	30		FDEDRO
C[NH+]=C(NCc1ccc(-n2nc(C)cc2C)nc1)N(C)C[C@@H]1CCOC1	ZINC000261658312	811293609	/nfs/dbraw/zinc/29/36/09/811293609.db2.gz	NLVLRBHWMMXWAG-KRWDZBQOSA-N	1	0	356.474	1.928	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nc1	ZINC000982826640	811383486	/nfs/dbraw/zinc/38/34/86/811383486.db2.gz	IECZTOPHGYRHEL-JENIJYKNSA-N	1	0	368.481	1.372	20	30		FDEDRO
COC(=O)[C@H]1[C@@H](C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C1(F)F	ZINC000894222552	811392164	/nfs/dbraw/zinc/39/21/64/811392164.db2.gz	VDKUNIPKEWFXAY-UKRRQHHQSA-N	1	0	350.369	1.566	20	30		FDEDRO
C[NH+]=C(NCc1nnc2ccc(C(F)(F)F)cn21)N1CC[C@@H](COC)C1	ZINC000262464467	811473610	/nfs/dbraw/zinc/47/36/10/811473610.db2.gz	NIHRMCAOPPHYHX-LLVKDONJSA-N	1	0	370.379	1.792	20	30		FDEDRO
CO[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)c1cccc(Cl)c1	ZINC000262548387	811489359	/nfs/dbraw/zinc/48/93/59/811489359.db2.gz	WNEKREPVDKWLTE-INIZCTEOSA-N	1	0	374.876	1.954	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cn[nH]c(=O)c2)C1	ZINC001087465463	811509929	/nfs/dbraw/zinc/50/99/29/811509929.db2.gz	PRZDJHJBQUEYHX-QZTJIDSGSA-N	1	0	368.412	1.933	20	30		FDEDRO
C[NH+]=C(NCc1cccc(CN2CCCC2=O)c1)N[C@@H]1CCC(=O)N(C)C1	ZINC000262784263	811551091	/nfs/dbraw/zinc/55/10/91/811551091.db2.gz	MBYKEAOOEOSESQ-QGZVFWFLSA-N	1	0	371.485	1.095	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](O)Cc4ccccc4)C[C@H]32)[nH]1	ZINC001075700335	815457268	/nfs/dbraw/zinc/45/72/68/815457268.db2.gz	LSRVSRWJCXFBDY-XKGZKEIXSA-N	1	0	364.449	1.636	20	30		FDEDRO
C=CCCCNC(=O)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1	ZINC000280456164	811827882	/nfs/dbraw/zinc/82/78/82/811827882.db2.gz	LSAWJFVDWKFUMA-UHFFFAOYSA-N	1	0	360.458	1.906	20	30		FDEDRO
C[C@](C#N)(NC(=O)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1	ZINC000280542486	811854934	/nfs/dbraw/zinc/85/49/34/811854934.db2.gz	TVMKSRGNFUSHRI-LVCYWYKZSA-N	1	0	352.482	1.859	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2ccc(OCC(=O)NC)cc2C)CC1	ZINC000280590306	811865187	/nfs/dbraw/zinc/86/51/87/811865187.db2.gz	VSUKHPLARFJWQM-UHFFFAOYSA-N	1	0	360.458	1.892	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)cc1	ZINC000419462592	811974930	/nfs/dbraw/zinc/97/49/30/811974930.db2.gz	JVXMFVJSIHZLMT-UHFFFAOYSA-N	1	0	366.421	1.041	20	30		FDEDRO
COC(=O)[C@H]1CN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC[N@H+](C)C1	ZINC000419610334	812055349	/nfs/dbraw/zinc/05/53/49/812055349.db2.gz	JTTKCSSHEKTLKH-SJLPKXTDSA-N	1	0	370.453	1.682	20	30		FDEDRO
CC[NH2+][C@H](C)CNC(=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1	ZINC000419655744	812061732	/nfs/dbraw/zinc/06/17/32/812061732.db2.gz	YPBYRPPHKRCEHQ-OAHLLOKOSA-N	1	0	364.449	1.956	20	30		FDEDRO
N#Cc1ccccc1-c1ccc(CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)cc1	ZINC000419650015	812073973	/nfs/dbraw/zinc/07/39/73/812073973.db2.gz	TVIYXIKGQOECNN-GOSISDBHSA-N	1	0	362.433	1.710	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccc(F)c(F)c1	ZINC000419686159	812102508	/nfs/dbraw/zinc/10/25/08/812102508.db2.gz	YQWXOSDSRPCHPE-VBQJREDUSA-N	1	0	363.408	1.766	20	30		FDEDRO
N#Cc1cccc(CCNC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)c1	ZINC000419713538	812127762	/nfs/dbraw/zinc/12/77/62/812127762.db2.gz	VZGHPWKLMWTQBN-UHFFFAOYSA-N	1	0	354.454	1.208	20	30		FDEDRO
N#Cc1cccc([C@@H]2CN(C(=O)C(=O)NCC3([NH3+])CCCCC3)CCO2)c1	ZINC000419802080	812197336	/nfs/dbraw/zinc/19/73/36/812197336.db2.gz	LBPVSDONGADLID-KRWDZBQOSA-N	1	0	370.453	1.236	20	30		FDEDRO
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)NCCC[NH2+]C1CC1	ZINC000419848155	812230242	/nfs/dbraw/zinc/23/02/42/812230242.db2.gz	TTWFEGJNONMALG-ZWKOTPCHSA-N	1	0	354.454	1.543	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000434416507	815562871	/nfs/dbraw/zinc/56/28/71/815562871.db2.gz	PEYIMFNCPVVLRL-MJGOQNOKSA-N	1	0	359.470	1.925	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C	ZINC000420049926	813427645	/nfs/dbraw/zinc/42/76/45/813427645.db2.gz	YUYIKYHATXMPHO-PBHICJAKSA-N	1	0	370.453	1.302	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)N[C@@H]1CCc2nc(C)nn2C1	ZINC000261815751	813525308	/nfs/dbraw/zinc/52/53/08/813525308.db2.gz	TWWFTNKEDJLFSF-YALNPMBYSA-N	1	0	358.490	1.414	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1	ZINC000420191995	813544143	/nfs/dbraw/zinc/54/41/43/813544143.db2.gz	HYBCOPHHIKZXMD-ZFWWWQNUSA-N	1	0	360.414	1.353	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1	ZINC000501632736	813572311	/nfs/dbraw/zinc/57/23/11/813572311.db2.gz	BDMXDMSMFWUYCB-IBGZPJMESA-N	1	0	368.481	1.897	20	30		FDEDRO
C[NH+]=C(NCc1ncc(C(C)(C)C)o1)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000261823622	813663403	/nfs/dbraw/zinc/66/34/03/813663403.db2.gz	USGKNIJBQSCKON-HNNXBMFYSA-N	1	0	363.506	1.702	20	30		FDEDRO
C[C@@H]1CC[C@@H](O)C[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000421008269	813913123	/nfs/dbraw/zinc/91/31/23/813913123.db2.gz	IBONRZUTCTVJDW-LZQZEXGQSA-N	1	0	374.460	1.380	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2C[C@H]2c2ccccc2F)C1=O	ZINC001167945012	813995225	/nfs/dbraw/zinc/99/52/25/813995225.db2.gz	SAFQJZBFLFWXRW-JZXOWHBKSA-N	1	0	359.445	1.812	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C	ZINC000421294177	814078612	/nfs/dbraw/zinc/07/86/12/814078612.db2.gz	GCXYYBFXWBWAKA-HNNXBMFYSA-N	1	0	358.442	1.837	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1	ZINC000652726025	814151455	/nfs/dbraw/zinc/15/14/55/814151455.db2.gz	BMWJQHUNLNMSDE-UKRRQHHQSA-N	1	0	351.472	1.085	20	30		FDEDRO
CCO[C@@H]1C[C@@H](NC(=[NH2+])NCc2ccc(OC)c(OC)c2)[C@@]12CCCO2	ZINC000273465584	814795138	/nfs/dbraw/zinc/79/51/38/814795138.db2.gz	JHWXLXTZGRRLFG-LMMKCTJWSA-N	1	0	363.458	1.835	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC1CC[NH+](CCOC)CC1	ZINC000422241779	814802685	/nfs/dbraw/zinc/80/26/85/814802685.db2.gz	SEQIZPXFNKBTMX-LJQANCHMSA-N	1	0	373.497	1.517	20	30		FDEDRO
CC(C)N1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)C1=O	ZINC001075710556	815778774	/nfs/dbraw/zinc/77/87/74/815778774.db2.gz	AERUPGCHTAUMBP-IAOVAPTHSA-N	1	0	355.442	1.042	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(Cc2nnc(CC)s2)C1	ZINC001028810126	815795912	/nfs/dbraw/zinc/79/59/12/815795912.db2.gz	XPBAQIMKWKHHRQ-MCIONIFRSA-N	1	0	350.488	1.630	20	30		FDEDRO
C=C(Br)CN1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1	ZINC001028817821	815854896	/nfs/dbraw/zinc/85/48/96/815854896.db2.gz	HTQMCSFDUBECJQ-VHDGCEQUSA-N	1	0	367.291	1.870	20	30		FDEDRO
Cn1ncc(C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)c1N	ZINC001075717662	816079660	/nfs/dbraw/zinc/07/96/60/816079660.db2.gz	KCWPIJYJVKKCNX-DOTOQJQBSA-N	1	0	350.426	1.220	20	30		FDEDRO
C=CCN1CCC([NH2+]C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1	ZINC000515055564	816084774	/nfs/dbraw/zinc/08/47/74/816084774.db2.gz	WYJXPBZNRXNGAV-KRWDZBQOSA-N	1	0	358.442	1.104	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCCc2nc(C)no2)C1	ZINC001028861298	816293211	/nfs/dbraw/zinc/29/32/11/816293211.db2.gz	PQNSYQXULUMAJU-BQFCYCMXSA-N	1	0	362.474	1.730	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2snnc2C)C1	ZINC001028861388	816293277	/nfs/dbraw/zinc/29/32/77/816293277.db2.gz	RZJYBICDOUJAGS-DZKIICNBSA-N	1	0	350.488	1.766	20	30		FDEDRO
C=CCn1cc(CNC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)nn1	ZINC000425483659	816362782	/nfs/dbraw/zinc/36/27/82/816362782.db2.gz	VXNDHAGNPLWWBW-OAHLLOKOSA-N	1	0	369.473	1.884	20	30		FDEDRO
N#CC1(NC(=O)C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)CCCCC1	ZINC000425539109	816502188	/nfs/dbraw/zinc/50/21/88/816502188.db2.gz	KBMMKUUADPUISR-GOSISDBHSA-N	1	0	363.502	1.876	20	30		FDEDRO
N#Cc1cc(F)cc(C2(C(=O)N3CCN(CC[NH+]4CCCC4)CC3)CC2)c1	ZINC000505877640	816705033	/nfs/dbraw/zinc/70/50/33/816705033.db2.gz	USVLHVMIKLFRJB-UHFFFAOYSA-N	1	0	370.472	1.969	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCc2ccc(CC#N)cc2)C1	ZINC000516866406	817070285	/nfs/dbraw/zinc/07/02/85/817070285.db2.gz	VQDMZBRLRFFSPK-QZTJIDSGSA-N	1	0	354.454	1.312	20	30		FDEDRO
CC[NH+]1CCC(CNC(=O)C(=O)N(C)[C@H](C)c2cccc(C#N)c2)CC1	ZINC000517232460	817346784	/nfs/dbraw/zinc/34/67/84/817346784.db2.gz	WLGIEGRWXPRKEH-OAHLLOKOSA-N	1	0	356.470	1.926	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(c2cc[nH+]cc2OC)CC1	ZINC000437986029	817424559	/nfs/dbraw/zinc/42/45/59/817424559.db2.gz	NAOHSRGXYDTOQW-YJBOKZPZSA-N	1	0	360.458	1.903	20	30		FDEDRO
N#Cc1ccc(OCC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1	ZINC000517556976	817486280	/nfs/dbraw/zinc/48/62/80/817486280.db2.gz	SQSVESSFYLSJOU-MRXNPFEDSA-N	1	0	357.366	1.875	20	30		FDEDRO
CCc1nc(CN2C[C@@H]3C[NH+](CC(=O)N[C@](C)(C#N)C(C)C)C[C@H]3C2)no1	ZINC000366690932	817528511	/nfs/dbraw/zinc/52/85/11/817528511.db2.gz	BFWGOJBAYONJJK-SPYBWZPUSA-N	1	0	374.489	1.050	20	30		FDEDRO
C[C@H]1CC[N@H+](C)CCN1C(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000473588455	817558009	/nfs/dbraw/zinc/55/80/09/817558009.db2.gz	BYGOGVHRDCWRKF-MAUKXSAKSA-N	1	0	354.454	1.602	20	30		FDEDRO
C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCOC2(C[NH2+]C2)C1	ZINC000664725796	817769298	/nfs/dbraw/zinc/76/92/98/817769298.db2.gz	SFEOUEVYEFGVQB-UHFFFAOYSA-N	1	0	354.410	1.252	20	30		FDEDRO
CC#CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@]2(C)CCNC2=O)C1	ZINC001087467617	817887070	/nfs/dbraw/zinc/88/70/70/817887070.db2.gz	GKOCYRSLXYQCQC-OPYAIIAOSA-N	1	0	371.456	1.649	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCC[C@]23CCOC3)CC1	ZINC000367456546	817968181	/nfs/dbraw/zinc/96/81/81/817968181.db2.gz	BZJFNCLRWGWTKC-VQIMIIECSA-N	1	0	374.510	1.712	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1	ZINC000439486529	817974632	/nfs/dbraw/zinc/97/46/32/817974632.db2.gz	OLZRLVZEJWARIN-BIENJYKASA-N	1	0	365.474	1.831	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CCNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000894421822	818047827	/nfs/dbraw/zinc/04/78/27/818047827.db2.gz	FUVJFAOPCCKJNE-QAPCUYQASA-N	1	0	369.469	1.443	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)Cn2nccn2)C1	ZINC001087474467	818262973	/nfs/dbraw/zinc/26/29/73/818262973.db2.gz	GYQASKDSNXQOTR-OALUTQOASA-N	1	0	367.453	1.284	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)Cn2nccn2)C1	ZINC001087474471	818263978	/nfs/dbraw/zinc/26/39/78/818263978.db2.gz	HCFQQIYHTLAYKX-OALUTQOASA-N	1	0	369.469	1.837	20	30		FDEDRO
C#CCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1	ZINC001087475971	818349105	/nfs/dbraw/zinc/34/91/05/818349105.db2.gz	MADBMSNXXWBMAT-QMMLZNLJSA-N	1	0	369.509	1.944	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1	ZINC001087476304	818374140	/nfs/dbraw/zinc/37/41/40/818374140.db2.gz	FJSCQZGWMBTSKH-FHWLQOOXSA-N	1	0	371.481	1.824	20	30		FDEDRO
COC(=O)[C@@H]1[C@H](CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1(F)F	ZINC000894764433	818424955	/nfs/dbraw/zinc/42/49/55/818424955.db2.gz	UHZBWQYDQBWJDX-HOTGVXAUSA-N	1	0	351.397	1.976	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CCNC(=O)CC2)C1	ZINC000983698076	818598942	/nfs/dbraw/zinc/59/89/42/818598942.db2.gz	KFHRLDUOYHULLJ-TXTZMMAHSA-N	1	0	363.502	1.368	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1	ZINC000280789214	818895558	/nfs/dbraw/zinc/89/55/58/818895558.db2.gz	FOIMXVUYTJLUIG-GOSISDBHSA-N	1	0	354.454	1.858	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)cc(C(=O)OC)c2)c1C#N	ZINC000519629890	818985679	/nfs/dbraw/zinc/98/56/79/818985679.db2.gz	QESKYKSZBVKAHZ-UHFFFAOYSA-N	1	0	355.398	1.781	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(C(F)(F)F)cnc2C#N)CC1	ZINC000334031570	819133074	/nfs/dbraw/zinc/13/30/74/819133074.db2.gz	LOQRJNLVNBVQJM-CQSZACIVSA-N	1	0	367.375	1.715	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnc3n2CCCC3)C[C@H]1C(F)(F)F	ZINC001112152402	819281128	/nfs/dbraw/zinc/28/11/28/819281128.db2.gz	WDUNDXQHZPKBGP-CHWSQXEVSA-N	1	0	354.376	1.835	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]CCCNC(=O)[C@H]1CCCO[C@H]1C(=C)C	ZINC001167992101	819405888	/nfs/dbraw/zinc/40/58/88/819405888.db2.gz	RPEGMSYJAZPJEH-HKUYNNGSSA-N	1	0	363.502	1.654	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NCC3CC[NH+](C4CC4)CC3)CC2)nc1	ZINC000328599620	819529504	/nfs/dbraw/zinc/52/95/04/819529504.db2.gz	CHFKFXJBGBGFLB-UHFFFAOYSA-N	1	0	368.485	1.864	20	30		FDEDRO
O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000328707718	819538021	/nfs/dbraw/zinc/53/80/21/819538021.db2.gz	QDNOTAJWHSRAQC-LMMKCTJWSA-N	1	0	367.490	1.283	20	30		FDEDRO
CO[C@@H]1CC[C@@H]2OCCN(CC(=O)NCC(C)(C)N3CCOCC3)[C@H]2C1	ZINC000328786357	819557163	/nfs/dbraw/zinc/55/71/63/819557163.db2.gz	OPHBVAXGTUULJI-IKGGRYGDSA-N	1	0	369.506	1.322	20	30		FDEDRO
CC(C)CC(=O)N1CCC(NC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)CC1	ZINC000328845099	819564217	/nfs/dbraw/zinc/56/42/17/819564217.db2.gz	AAYIMSJBKMFFPL-IRXDYDNUSA-N	1	0	366.506	1.342	20	30		FDEDRO
C[C@@H]1CCC[N@H+](CCNC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)C1	ZINC000328856599	819567764	/nfs/dbraw/zinc/56/77/64/819567764.db2.gz	KHAJUIPADMCBLE-IAGOWNOFSA-N	1	0	366.506	1.203	20	30		FDEDRO
Cn1ccnc1[C@@H]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1	ZINC000328861672	819569540	/nfs/dbraw/zinc/56/95/40/819569540.db2.gz	LWCMRZHWXNAYKB-OIISXLGYSA-N	1	0	361.490	1.501	20	30		FDEDRO
Cn1ccnc1[C@@H]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1	ZINC000328861669	819569745	/nfs/dbraw/zinc/56/97/45/819569745.db2.gz	LWCMRZHWXNAYKB-DJIMGWMZSA-N	1	0	361.490	1.501	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)C[NH+]2CCCC2)nc1	ZINC000983807439	819598562	/nfs/dbraw/zinc/59/85/62/819598562.db2.gz	VDYDFAGLSJLDGQ-AEFFLSMTSA-N	1	0	368.481	1.516	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1	ZINC000983809697	819619299	/nfs/dbraw/zinc/61/92/99/819619299.db2.gz	WIOZSXNQZMGLSJ-BMFZPTHFSA-N	1	0	357.458	1.195	20	30		FDEDRO
COc1ccc(NC(C)=O)cc1NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C	ZINC000331158003	819667644	/nfs/dbraw/zinc/66/76/44/819667644.db2.gz	DYQGNKIOYYYICH-STQMWFEESA-N	1	0	364.446	1.586	20	30		FDEDRO
CNC(=O)c1ccc(CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cc1	ZINC000331213757	819671280	/nfs/dbraw/zinc/67/12/80/819671280.db2.gz	ASPSZVUWVXEXQG-CQSZACIVSA-N	1	0	362.474	1.237	20	30		FDEDRO
CCC[NH+]1CCN(c2ccccc2CN2CCN(C(=O)CC#N)CC2)CC1	ZINC000895066182	819845176	/nfs/dbraw/zinc/84/51/76/819845176.db2.gz	PENWXZIDGUKFPL-UHFFFAOYSA-N	1	0	369.513	1.776	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc(C)nn3C)[C@H]2CC)C1=O	ZINC001087514345	820273198	/nfs/dbraw/zinc/27/31/98/820273198.db2.gz	QTDMCTUIEFUWIU-XHSDSOJGSA-N	1	0	359.474	1.098	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3cc(C)on3)[C@H]2CC)C1=O	ZINC001087524140	820418618	/nfs/dbraw/zinc/41/86/18/820418618.db2.gz	DHYBWMWGKHHNGC-GVDBMIGSSA-N	1	0	360.458	1.282	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)NCCNc2ccc(C#N)cn2)CC1	ZINC000727034746	820512938	/nfs/dbraw/zinc/51/29/38/820512938.db2.gz	YNLORSAPKRIJSA-UHFFFAOYSA-N	1	0	360.462	1.165	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cnn(CCC(C)C)c2C)CC1	ZINC000441758860	820524344	/nfs/dbraw/zinc/52/43/44/820524344.db2.gz	AIBKIHJXFBAAGG-UHFFFAOYSA-N	1	0	361.490	1.943	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)C3CC(F)(F)C3)[C@H]2CC)C1=O	ZINC001087536494	820961305	/nfs/dbraw/zinc/96/13/05/820961305.db2.gz	NDCHXKFMCSJNOZ-ZNMIVQPWSA-N	1	0	355.429	1.788	20	30		FDEDRO
CCc1cc(C#N)ccc1OCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1	ZINC000442112599	821055680	/nfs/dbraw/zinc/05/56/80/821055680.db2.gz	VMNWLRJCDNWTMT-SFHVURJKSA-N	1	0	359.470	1.972	20	30		FDEDRO
COC[C@H](C)NC(=O)NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C	ZINC000521196515	821148502	/nfs/dbraw/zinc/14/85/02/821148502.db2.gz	LIHCKLUSYPPLNB-HNNXBMFYSA-N	1	0	360.458	1.877	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@H]2COC(=O)C2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087542607	821168254	/nfs/dbraw/zinc/16/82/54/821168254.db2.gz	VOKDZLSYAMFMBH-FGTMMUONSA-N	1	0	355.438	1.981	20	30		FDEDRO
C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CCCN(O)C1=O	ZINC000895160223	821209385	/nfs/dbraw/zinc/20/93/85/821209385.db2.gz	LCLZKVIZBWALSI-CJNGLKHVSA-N	1	0	359.426	1.811	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2CC)C1=O	ZINC001087548586	821307328	/nfs/dbraw/zinc/30/73/28/821307328.db2.gz	DGYAKXJIIUPGSD-BBWFWOEESA-N	1	0	355.442	1.256	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)cc1	ZINC000521609815	821313105	/nfs/dbraw/zinc/31/31/05/821313105.db2.gz	WQQQCPARXPRYAB-QGZVFWFLSA-N	1	0	353.426	1.976	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C2CC2)[C@@H]1CC	ZINC001087576666	821582253	/nfs/dbraw/zinc/58/22/53/821582253.db2.gz	VSTWZGXMKROYQX-XDNAFOTISA-N	1	0	363.502	1.558	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)Cn2nccn2)CC[N@@H+]1Cc1ccc(C#N)c(F)c1	ZINC001087587466	821615948	/nfs/dbraw/zinc/61/59/48/821615948.db2.gz	PSOKPORUPACXEN-DLBZAZTESA-N	1	0	356.405	1.458	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(C)ncn2)[C@@H]1CC	ZINC001087606940	821713190	/nfs/dbraw/zinc/71/31/90/821713190.db2.gz	APNWFFAMWCXSFM-OTWHNJEPSA-N	1	0	355.486	1.352	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2c(C)noc2C)[C@@H]1CC	ZINC001087606965	821713712	/nfs/dbraw/zinc/71/37/12/821713712.db2.gz	BWUNCYOWVRDLAJ-OTWHNJEPSA-N	1	0	358.486	1.858	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2COCCN2CC)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087632866	821841001	/nfs/dbraw/zinc/84/10/01/821841001.db2.gz	AQJYMRCPWYRQAD-HBMCJLEFSA-N	1	0	369.509	1.728	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCC(=O)NC2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087696100	822086924	/nfs/dbraw/zinc/08/69/24/822086924.db2.gz	HKBFZCCXVCXKRM-UEXGIBASSA-N	1	0	368.481	1.944	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCC1	ZINC000445973690	828397285	/nfs/dbraw/zinc/39/72/85/828397285.db2.gz	HBSWSFUPXJPVBX-KRWDZBQOSA-N	1	0	369.469	1.837	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)C(C)(F)F)C[C@H]1C(F)(F)F	ZINC001112167014	822146980	/nfs/dbraw/zinc/14/69/80/822146980.db2.gz	CWVAJVNCJDEMHB-QJPTWQEYSA-N	1	0	356.335	1.906	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCNC2=O)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087723170	822214908	/nfs/dbraw/zinc/21/49/08/822214908.db2.gz	FQPGVWGKFMUBBD-DAYGRLMNSA-N	1	0	360.483	1.615	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2	ZINC000440947033	828411929	/nfs/dbraw/zinc/41/19/29/828411929.db2.gz	HVWUAUQKZHWQOJ-UHFFFAOYSA-N	1	0	356.426	1.592	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1	ZINC000984319451	822358114	/nfs/dbraw/zinc/35/81/14/822358114.db2.gz	BRBPFAXDLKQFPQ-KURKYZTESA-N	1	0	363.502	1.511	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CCO[C@H]3CC3(F)F)[C@@H]2CC)nn1	ZINC001087754243	822369208	/nfs/dbraw/zinc/36/92/08/822369208.db2.gz	VNPKVNWRDLRVQX-CFVMTHIKSA-N	1	0	369.416	1.471	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cnn(C)n2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001087761356	822385572	/nfs/dbraw/zinc/38/55/72/822385572.db2.gz	OHVZLEVXLIAXOA-FUHWJXTLSA-N	1	0	368.441	1.500	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1C(F)(F)F	ZINC001112167636	822406398	/nfs/dbraw/zinc/40/63/98/822406398.db2.gz	WFGKISCHYUXEGO-ZWNOBZJWSA-N	1	0	358.364	1.672	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)Cc2cncn2C)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087797161	822450905	/nfs/dbraw/zinc/45/09/05/822450905.db2.gz	ADTZLFLZMDOXKK-VQTJNVASSA-N	1	0	350.466	1.983	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3ccnn3C)[C@@H]2CC)CC1	ZINC001087840189	822559279	/nfs/dbraw/zinc/55/92/79/822559279.db2.gz	LNXZHTAEMJQYDJ-RBUKOAKNSA-N	1	0	357.502	1.234	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N(C)C2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087841514	822565864	/nfs/dbraw/zinc/56/58/64/822565864.db2.gz	AXTACHFVEUPVJO-CEXWTWQISA-N	1	0	368.481	1.896	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)OC)C[C@@H]2C1	ZINC001087901567	822773356	/nfs/dbraw/zinc/77/33/56/822773356.db2.gz	OFGRHYKXQVPUSE-KYJSFNMBSA-N	1	0	357.454	1.882	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2CCN(Cc3nc(-c4ccco4)no3)C[C@H]2C1	ZINC001087911019	823770428	/nfs/dbraw/zinc/77/04/28/823770428.db2.gz	HFFYAPNNXBEFOL-MCIONIFRSA-N	1	0	355.398	1.770	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)CC[C@@H]2C1	ZINC001087911453	823771224	/nfs/dbraw/zinc/77/12/24/823771224.db2.gz	VXPWCQQRPZCQNW-OIISXLGYSA-N	1	0	355.438	1.898	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4nccnc4N)C[C@@H]3C2)s1	ZINC001087912921	823785726	/nfs/dbraw/zinc/78/57/26/823785726.db2.gz	NYEBXUKCLLYXMI-OLZOCXBDSA-N	1	0	368.466	1.586	20	30		FDEDRO
N#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](C[C@H]4CCNC(=O)CC4)CC[C@@H]3C2)[nH]1	ZINC001087938619	824017381	/nfs/dbraw/zinc/01/73/81/824017381.db2.gz	CWFAVWNOYXMNTM-OAGGEKHMSA-N	1	0	369.469	1.197	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4nccn4CC)C[C@@H]3C2)C1=O	ZINC001087950991	824110946	/nfs/dbraw/zinc/11/09/46/824110946.db2.gz	VWDXCLOXHIARNQ-IKGGRYGDSA-N	1	0	371.485	1.084	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2snnc2C)C1	ZINC001029845560	828617811	/nfs/dbraw/zinc/61/78/11/828617811.db2.gz	KUZDRRIBGYRNHS-KFWWJZLASA-N	1	0	350.488	1.718	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H]2C[N@@H+](Cc3ccc4nonc4c3)CC[C@@H]2C1	ZINC001087961809	824183005	/nfs/dbraw/zinc/18/30/05/824183005.db2.gz	KNPKGIKAKZRHBU-SJORKVTESA-N	1	0	350.422	1.917	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3nn(C)c4ccccc34)C[C@@H]2C1	ZINC001087967928	824256182	/nfs/dbraw/zinc/25/61/82/824256182.db2.gz	RSLWLAAPNRTEFX-SJORKVTESA-N	1	0	350.466	1.919	20	30		FDEDRO
C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@H]3CCN(CC#N)C[C@H]3C2)CC1	ZINC001087969448	824260429	/nfs/dbraw/zinc/26/04/29/824260429.db2.gz	VMGJKTQGCWEJIA-HCXYKTFWSA-N	1	0	360.502	1.037	20	30		FDEDRO
CC[C@H](C#N)Oc1cc(CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)ccc1OC	ZINC000896343389	824344583	/nfs/dbraw/zinc/34/45/83/824344583.db2.gz	UHLOAXVNTCGNCX-IAGOWNOFSA-N	1	0	373.453	1.713	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cnc4cc[nH]cc-4c3=O)C[C@@H]2C1	ZINC001087981784	824351738	/nfs/dbraw/zinc/35/17/38/824351738.db2.gz	VWWYMEKYVRRSFB-CABCVRRESA-N	1	0	350.422	1.340	20	30		FDEDRO
CN(C)C(=O)CNC(NC[C@@H]1COC2(CCCCC2)O1)=[NH+]C1CCCC1	ZINC000262266837	824358909	/nfs/dbraw/zinc/35/89/09/824358909.db2.gz	GBEHYXXIQCYXOD-MRXNPFEDSA-N	1	0	366.506	1.628	20	30		FDEDRO
COC(=O)[C@@](C)(C[NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)c1ccc(F)cc1	ZINC000447030229	828643876	/nfs/dbraw/zinc/64/38/76/828643876.db2.gz	UILRZSIJIAPZME-UGSOOPFHSA-N	1	0	361.417	1.797	20	30		FDEDRO
Cn1ncc(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)c1C#N	ZINC000474793683	824453554	/nfs/dbraw/zinc/45/35/54/824453554.db2.gz	PNBCKVDBOGMCGE-UHFFFAOYSA-N	1	0	366.469	1.229	20	30		FDEDRO
Cc1noc([C@H](NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C2CCOCC2)n1	ZINC000329012750	824533743	/nfs/dbraw/zinc/53/37/43/824533743.db2.gz	FBIQVZDLGMUCPU-XJKSGUPXSA-N	1	0	363.462	1.834	20	30		FDEDRO
CC1(C)COCCN1CCNC(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1	ZINC000329093455	824577328	/nfs/dbraw/zinc/57/73/28/824577328.db2.gz	AZMMLGUBFIWOQU-OAHLLOKOSA-N	1	0	366.506	1.534	20	30		FDEDRO
C[C@H](NC(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1)C1=CC[N@H+](C)CC1	ZINC000329101724	824586520	/nfs/dbraw/zinc/58/65/20/824586520.db2.gz	ZUYXTZMAGKYLIA-KXBFYZLASA-N	1	0	364.490	1.000	20	30		FDEDRO
COC[C@@H]1CN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC(C)(C)O1	ZINC000329117390	824602243	/nfs/dbraw/zinc/60/22/43/824602243.db2.gz	IZYFPDJOAWQLFF-INIZCTEOSA-N	1	0	369.506	1.671	20	30		FDEDRO
O=C(N[C@H]1COC[C@H]1n1ccnn1)[C@H]1CN(Cc2ccccc2)CCO1	ZINC000329142062	824625288	/nfs/dbraw/zinc/62/52/88/824625288.db2.gz	USIINPXPUYVHST-GVDBMIGSSA-N	1	0	357.414	1.076	20	30		FDEDRO
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1	ZINC000329145619	824625879	/nfs/dbraw/zinc/62/58/79/824625879.db2.gz	NULVWDBECQNLDX-VQIMIIECSA-N	1	0	368.522	1.196	20	30		FDEDRO
CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)C1	ZINC000329163049	824638775	/nfs/dbraw/zinc/63/87/75/824638775.db2.gz	GCGJJHOMLMAOBK-DFEOGRTESA-N	1	0	367.490	1.424	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)c3cc4ccccc4[nH]c3=O)CC2)C1=O	ZINC000329204632	824665376	/nfs/dbraw/zinc/66/53/76/824665376.db2.gz	XPCHKMYFKDKJSM-KRWDZBQOSA-N	1	0	368.437	1.940	20	30		FDEDRO
O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCO[C@]2(CCCOC2)C1	ZINC000329239898	824687419	/nfs/dbraw/zinc/68/74/19/824687419.db2.gz	QQWVRUINWCLHAS-QFBILLFUSA-N	1	0	367.490	1.283	20	30		FDEDRO
C[N@H+](Cc1ccccc1C#N)C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1	ZINC000985645077	828679289	/nfs/dbraw/zinc/67/92/89/828679289.db2.gz	HTJBOPRQRAXQAL-ZWKOTPCHSA-N	1	0	370.453	1.014	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1	ZINC000329334518	824742340	/nfs/dbraw/zinc/74/23/40/824742340.db2.gz	KSYOBSVLMQQIDX-HUUCEWRRSA-N	1	0	361.494	1.021	20	30		FDEDRO
CN1C(=O)N[C@@]2(CCN(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1=O	ZINC000329430812	824785711	/nfs/dbraw/zinc/78/57/11/824785711.db2.gz	IGEABYWVQVFAPY-HNAYVOBHSA-N	1	0	371.441	1.005	20	30		FDEDRO
Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC[C@]3(CNC(=O)C3)C2)CCC[N@@H+]1C	ZINC000329454294	824804952	/nfs/dbraw/zinc/80/49/52/824804952.db2.gz	MFYCEKOCVIPZIN-YJLNNSPDSA-N	1	0	374.489	1.769	20	30		FDEDRO
CC(C)[C@H](CNC(=O)N1CCO[C@@]2(CCCOC2)C1)[NH+]1CCN(C)CC1	ZINC000329489542	824830280	/nfs/dbraw/zinc/83/02/80/824830280.db2.gz	UVAQUBJPBDGQAC-HKUYNNGSSA-N	1	0	368.522	1.054	20	30		FDEDRO
CCC(=O)N1CC[C@H](NC(NCC(=O)N(C)C)=[NH+][C@@H]2CCCC[C@@H]2C)C1	ZINC000262293081	824866614	/nfs/dbraw/zinc/86/66/14/824866614.db2.gz	LQTVWALIIPWLAG-HRCADAONSA-N	1	0	365.522	1.199	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)C[C@H]1CC[N@H+](C)C1	ZINC000984793935	824939414	/nfs/dbraw/zinc/93/94/14/824939414.db2.gz	YXLQMTJVIXMTQM-XOKHGSTOSA-N	1	0	357.458	1.337	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3c(C)oc4nc[nH]c(=O)c43)C[C@@H]2C1	ZINC001087993990	824967753	/nfs/dbraw/zinc/96/77/53/824967753.db2.gz	MGXGKEFHUJWSEP-KGLIPLIRSA-N	1	0	354.410	1.654	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cn(CC(F)F)nc3C)C[C@@H]2C1	ZINC001088005165	825123743	/nfs/dbraw/zinc/12/37/43/825123743.db2.gz	NHGXUIDSKWLARN-CABCVRRESA-N	1	0	350.413	1.874	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cn4c(n3)C[C@@H](OC)CC4)C[C@@H]2C1	ZINC001088010064	825214916	/nfs/dbraw/zinc/21/49/16/825214916.db2.gz	IIPWDLKOUZUWDR-IKGGRYGDSA-N	1	0	356.470	1.262	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(C(N)=O)nc3)C[C@@H]2C1	ZINC001088012926	825257568	/nfs/dbraw/zinc/25/75/68/825257568.db2.gz	IRCXEZMTWOLNRS-SJORKVTESA-N	1	0	356.470	1.470	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CS(=O)(=O)C3CCCC3)C[C@@H]2C1	ZINC001088015306	825260860	/nfs/dbraw/zinc/26/08/60/825260860.db2.gz	GMIOJZYFKGYSGV-CVEARBPZSA-N	1	0	352.500	1.147	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4[nH]c(C)cc4C)C[C@@H]3C2)C1=O	ZINC001088014723	825276725	/nfs/dbraw/zinc/27/67/25/825276725.db2.gz	HTLLKHSGDXSLTJ-FGTMMUONSA-N	1	0	370.497	1.812	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC(=O)NC3)C[C@@H]2C1	ZINC001088022726	825354771	/nfs/dbraw/zinc/35/47/71/825354771.db2.gz	WWLMSBPOXYZCQA-QRQLOZEOSA-N	1	0	366.465	1.365	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc4sccn4c3=O)C[C@@H]2C1	ZINC001088031750	825456703	/nfs/dbraw/zinc/45/67/03/825456703.db2.gz	JTAGEKUMZKWHRB-KGLIPLIRSA-N	1	0	358.467	1.726	20	30		FDEDRO
O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)N1CC[C@@H](CCO)C1	ZINC000329846467	825498969	/nfs/dbraw/zinc/49/89/69/825498969.db2.gz	YGPQPQHJUXKHSA-INIZCTEOSA-N	1	0	361.486	1.762	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C([O-])=[NH+]C[C@@H]1CCc2nccn2C1	ZINC000329961692	825568372	/nfs/dbraw/zinc/56/83/72/825568372.db2.gz	RSXYSWBNNFXYSO-HOTGVXAUSA-N	1	0	361.490	1.545	20	30		FDEDRO
CC(=O)N1CCC[C@@H](CNC(=O)N2CC[NH+](CC3CCOCC3)CC2)C1	ZINC000330030288	825606761	/nfs/dbraw/zinc/60/67/61/825606761.db2.gz	RIPKGIHSUHPMJV-SFHVURJKSA-N	1	0	366.506	1.203	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC(N2CCCCC2=O)CC1	ZINC000330088372	825627345	/nfs/dbraw/zinc/62/73/45/825627345.db2.gz	NYLOHSVXNJYJSY-MRXNPFEDSA-N	1	0	365.522	1.013	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)Cc3ccc[nH]3)[C@H]2CC)CC1	ZINC000984952690	825669047	/nfs/dbraw/zinc/66/90/47/825669047.db2.gz	MNEZFLPFTOUCSX-RBUKOAKNSA-N	1	0	370.497	1.398	20	30		FDEDRO
CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C)nn3)C2)C1	ZINC000330149350	825679085	/nfs/dbraw/zinc/67/90/85/825679085.db2.gz	KCFPRTZQNFQYPP-IRXDYDNUSA-N	1	0	360.506	1.941	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCCc2c1cnn2C	ZINC000330250465	825766631	/nfs/dbraw/zinc/76/66/31/825766631.db2.gz	GVWAMJYTJKMVHC-PBHICJAKSA-N	1	0	361.490	1.897	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2CCOC3(CCOCC3)C2)CC1	ZINC000330287393	825795579	/nfs/dbraw/zinc/79/55/79/825795579.db2.gz	BDTSTFJMAXWUFR-MRXNPFEDSA-N	1	0	369.506	1.454	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1	ZINC000280877136	825803978	/nfs/dbraw/zinc/80/39/78/825803978.db2.gz	LRAITTSYRXFNGO-FXAWDEMLSA-N	1	0	367.497	1.630	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C	ZINC000280936582	825825144	/nfs/dbraw/zinc/82/51/44/825825144.db2.gz	FVTLVQVWZXXZCQ-WMLDXEAASA-N	1	0	360.458	1.950	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)C(C)(F)F)[C@@H]2CC)CC1	ZINC000984992694	826040128	/nfs/dbraw/zinc/04/01/28/826040128.db2.gz	QCLGWLQSYNVMHQ-LSDHHAIUSA-N	1	0	355.429	1.483	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN(C(C)(C)C)C3=O)C[C@@H]2C1	ZINC001088077372	826066157	/nfs/dbraw/zinc/06/61/57/826066157.db2.gz	VUKRICUCCKJNJH-FGTMMUONSA-N	1	0	359.514	1.827	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1	ZINC000281621650	826114407	/nfs/dbraw/zinc/11/44/07/826114407.db2.gz	XAMIFFHPKIEMFL-PXNSSMCTSA-N	1	0	358.486	1.691	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4CC5(CC5)C4)C[C@@H]3C2)C1=O	ZINC001088101479	826393496	/nfs/dbraw/zinc/39/34/96/826393496.db2.gz	KIWFJATZQTUIDT-NJAFHUGGSA-N	1	0	357.498	1.744	20	30		FDEDRO
NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)CC[C@@H]2C1	ZINC001088108040	826424608	/nfs/dbraw/zinc/42/46/08/826424608.db2.gz	CGQSMXRTOMYYHK-JFRXWTBNSA-N	1	0	369.440	1.079	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(CNC(C)=O)s3)C[C@@H]2C1	ZINC001088121690	826491649	/nfs/dbraw/zinc/49/16/49/826491649.db2.gz	RTSCPVUVOCOAMP-CVEARBPZSA-N	1	0	359.495	1.801	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4cncc(C)c4)CC[C@@H]3C2)nn1	ZINC001088132697	826570123	/nfs/dbraw/zinc/57/01/23/826570123.db2.gz	BUEKZIZMUSDTAS-MSOLQXFVSA-N	1	0	366.469	1.762	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4ncccc4C)CC[C@@H]3C2)nn1	ZINC001088133033	826571285	/nfs/dbraw/zinc/57/12/85/826571285.db2.gz	PHIFJVQJJJUEDY-SJORKVTESA-N	1	0	366.469	1.762	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCN(Cc3ncccn3)C[C@H]2C1	ZINC001088138198	826621775	/nfs/dbraw/zinc/62/17/75/826621775.db2.gz	YLFIDTWPBYEQRN-DFEOGRTESA-N	1	0	356.470	1.738	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3n[nH]c(C)c3C)[C@H]2C)CC1	ZINC000987478617	833079405	/nfs/dbraw/zinc/07/94/05/833079405.db2.gz	XYDMPWUNLROTHB-WBVHZDCISA-N	1	0	371.485	1.091	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC000985163671	826662307	/nfs/dbraw/zinc/66/23/07/826662307.db2.gz	HPKHWYDQDVCLTA-GOEBONIOSA-N	1	0	355.442	1.091	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2nccn3c(Br)cnc23)CC1	ZINC000928653797	827032373	/nfs/dbraw/zinc/03/23/73/827032373.db2.gz	BFAHBROXPIRXQB-UHFFFAOYSA-N	1	0	362.231	1.319	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO	ZINC000897220964	827184355	/nfs/dbraw/zinc/18/43/55/827184355.db2.gz	ZXRCIHADFSCQSU-CVEARBPZSA-N	1	0	365.499	1.186	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC000985313584	827249605	/nfs/dbraw/zinc/24/96/05/827249605.db2.gz	LSTXCRLZRKNHTF-DFEHZGFQSA-N	1	0	371.485	1.726	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C(=O)N(C)C)cc3)C[C@@H]2C1	ZINC001088173900	827253027	/nfs/dbraw/zinc/25/30/27/827253027.db2.gz	YEGBWOSUWCPYOS-MOPGFXCFSA-N	1	0	353.466	1.806	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC(=O)N4)C[C@@H]3C2)cc1	ZINC001088176609	827271292	/nfs/dbraw/zinc/27/12/92/827271292.db2.gz	FYUKIGDQHNCWMH-SQNIBIBYSA-N	1	0	352.438	1.117	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)CC[C@@H]2C1	ZINC001088183684	827306897	/nfs/dbraw/zinc/30/68/97/827306897.db2.gz	RCAGVNMCAPLGBS-HSALFYBXSA-N	1	0	365.477	1.221	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3nc4nccc(C)n4n3)C[C@@H]2C1	ZINC001088190323	827342668	/nfs/dbraw/zinc/34/26/68/827342668.db2.gz	UAQDDSGBAJCYMT-CVEARBPZSA-N	1	0	354.458	1.793	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cn4cncn4)C[C@@H]3C2)c1	ZINC001088191512	827382625	/nfs/dbraw/zinc/38/26/25/827382625.db2.gz	CVZRZZJUFKBOCE-MSOLQXFVSA-N	1	0	350.426	1.130	20	30		FDEDRO
C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(Cc4cc(F)ccc4C#N)C[C@H]3C2)C1	ZINC001088199661	827430984	/nfs/dbraw/zinc/43/09/84/827430984.db2.gz	YEGFQEHGKKINQJ-LMMKCTJWSA-N	1	0	370.472	1.929	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000987546451	833197100	/nfs/dbraw/zinc/19/71/00/833197100.db2.gz	KDTMMVMPLZQNDL-XRGAULLZSA-N	1	0	357.458	1.336	20	30		FDEDRO
C=C(Br)CN1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1	ZINC001088200969	827441954	/nfs/dbraw/zinc/44/19/54/827441954.db2.gz	DLBAIHWSWDEOLF-CABCVRRESA-N	1	0	356.308	1.771	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4nc(C)no4)C[C@H]3C2)CC1	ZINC001088212124	827493928	/nfs/dbraw/zinc/49/39/28/827493928.db2.gz	QPCNXLHHWJGUGF-MSOLQXFVSA-N	1	0	371.485	1.004	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2C[C@@H]3C[N@H+]([C@@H](C)C(N)=O)CC[C@@H]3C2)cc1	ZINC001088215181	827517370	/nfs/dbraw/zinc/51/73/70/827517370.db2.gz	WBQZTXBPJUXAEE-JQHSSLGASA-N	1	0	371.481	1.448	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2C[C@@H]3C[N@H+](CCCO)CC[C@@H]3C2)cc1	ZINC001088215190	827517708	/nfs/dbraw/zinc/51/77/08/827517708.db2.gz	WNQQAQOVBPESED-MOPGFXCFSA-N	1	0	358.482	1.957	20	30		FDEDRO
O=C(Cn1ccnc1)N1C[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)CC[C@@H]2C1	ZINC001088219605	827539496	/nfs/dbraw/zinc/53/94/96/827539496.db2.gz	LJEGORHZOPKTBO-MOPGFXCFSA-N	1	0	366.440	1.854	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CC[C@H]1CCC[N@@H+]1C	ZINC000987547200	833226256	/nfs/dbraw/zinc/22/62/56/833226256.db2.gz	XLZHLSDTPDOXKL-BMFZPTHFSA-N	1	0	357.458	1.480	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CO[C@H]2CC[N@@H+](CCCO)C2)CC1	ZINC001088237993	827644027	/nfs/dbraw/zinc/64/40/27/827644027.db2.gz	ICUUCTSUSAYPLL-OTWHNJEPSA-N	1	0	366.502	1.289	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2CC)c1	ZINC000985437407	827828085	/nfs/dbraw/zinc/82/80/85/827828085.db2.gz	WXMAWYBTADVLBR-AYOQOUSVSA-N	1	0	368.481	1.657	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2C#N)C1	ZINC001029759682	828011310	/nfs/dbraw/zinc/01/13/10/828011310.db2.gz	UUYNTSRQYVMCFF-BXWFABGCSA-N	1	0	357.454	1.642	20	30		FDEDRO
CCCC(=O)NC[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000523891953	828286574	/nfs/dbraw/zinc/28/65/74/828286574.db2.gz	UPNLIGNMDYWNBS-SFHVURJKSA-N	1	0	356.470	1.803	20	30		FDEDRO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](CO)[C@H]1CCCO1	ZINC000447913818	828934596	/nfs/dbraw/zinc/93/45/96/828934596.db2.gz	NNKHLPMDKFGWGW-YQQAZPJKSA-N	1	0	361.442	1.460	20	30		FDEDRO
Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ncc1C(N)=O	ZINC000448723922	829218167	/nfs/dbraw/zinc/21/81/67/829218167.db2.gz	DBJBWDXXHUOVIB-UHFFFAOYSA-N	1	0	365.437	1.565	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]Cc1nc(-c2ccoc2)no1	ZINC001168101385	829226868	/nfs/dbraw/zinc/22/68/68/829226868.db2.gz	SGDYBGUJKJLBSU-HOCLYGCPSA-N	1	0	360.414	1.907	20	30		FDEDRO
Cn1c(C#N)ccc1C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1	ZINC000448925086	829301038	/nfs/dbraw/zinc/30/10/38/829301038.db2.gz	LRZPJZMKVIMKMG-UHFFFAOYSA-N	1	0	353.426	1.118	20	30		FDEDRO
N#Cc1ccc(OCC(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)cc1	ZINC000023273150	829307314	/nfs/dbraw/zinc/30/73/14/829307314.db2.gz	JMAGBUHIKDTBKS-UHFFFAOYSA-N	1	0	357.410	1.223	20	30		FDEDRO
CCc1nnc(C2CC[NH+](C[C@H](O)COc3ccccc3C#N)CC2)[nH]1	ZINC000528479486	829425015	/nfs/dbraw/zinc/42/50/15/829425015.db2.gz	WDSIZUWKAHBINF-INIZCTEOSA-N	1	0	355.442	1.858	20	30		FDEDRO
CC(C)C[NH2+]C1(CO)CCN(C[C@H](O)COc2ccccc2C#N)CC1	ZINC000528519477	829434806	/nfs/dbraw/zinc/43/48/06/829434806.db2.gz	NJZHYERNRXZSOH-SFHVURJKSA-N	1	0	361.486	1.370	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]C[C@H](O)COCc1ccco1	ZINC001168109772	829535012	/nfs/dbraw/zinc/53/50/12/829535012.db2.gz	HOWAAMFHUNXEKG-SZMVWBNQSA-N	1	0	366.458	1.234	20	30		FDEDRO
C[C@]1(CO)C[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@]1(C)CO	ZINC000528755435	829550140	/nfs/dbraw/zinc/55/01/40/829550140.db2.gz	SFCNBZLMMFCTLQ-YSIASYRMSA-N	1	0	357.454	1.366	20	30		FDEDRO
Cc1[nH]c(C#N)cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C	ZINC000450210947	829867618	/nfs/dbraw/zinc/86/76/18/829867618.db2.gz	MPFHCHQDVOHACD-SFHVURJKSA-N	1	0	367.453	1.214	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C4CC=CC4)C[C@@H]3C2)CC1	ZINC000985858789	829920311	/nfs/dbraw/zinc/92/03/11/829920311.db2.gz	RGYOHQQXHOYPLV-UXHICEINSA-N	1	0	369.509	1.605	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)/C=C/C4CC4)C[C@@H]3C2)CC1	ZINC000985876725	829954041	/nfs/dbraw/zinc/95/40/41/829954041.db2.gz	OPVYJNCSEBKDFF-KPDZFXRVSA-N	1	0	369.509	1.605	20	30		FDEDRO
CN1CC[NH+](CC2(C)CCN(c3ncc(C#N)cc3[N+](=O)[O-])CC2)CC1	ZINC000450444299	829965120	/nfs/dbraw/zinc/96/51/20/829965120.db2.gz	YKRZWADQMRSPIC-UHFFFAOYSA-N	1	0	358.446	1.715	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]3C2)CC[N@@H+]1C	ZINC000985894646	830012670	/nfs/dbraw/zinc/01/26/70/830012670.db2.gz	OPJLGQYZWIURJM-MXASKKJJSA-N	1	0	369.469	1.147	20	30		FDEDRO
C=C(Br)CN1C[C@@H]2CCN(C(=O)Cc3cnc(C)o3)[C@@H]2C1	ZINC001075878718	830060027	/nfs/dbraw/zinc/06/00/27/830060027.db2.gz	HBDSVSFKNXRLGT-GXTWGEPZSA-N	1	0	354.248	1.967	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@@H](CCSC)NC(=O)c1ccco1	ZINC000729808476	837424640	/nfs/dbraw/zinc/42/46/40/837424640.db2.gz	CDPANVNFFRZOCG-HUUCEWRRSA-N	1	0	364.467	1.772	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1COC(=O)[C@@H](CCSC)NC(=O)c1ccco1	ZINC000729808478	837424768	/nfs/dbraw/zinc/42/47/68/837424768.db2.gz	CDPANVNFFRZOCG-LSDHHAIUSA-N	1	0	364.467	1.772	20	30		FDEDRO
C#CCN1CCC[C@@H]1COC(=O)CS[C@H](C)C(=O)Nc1cc(C)on1	ZINC000729808979	837432018	/nfs/dbraw/zinc/43/20/18/837432018.db2.gz	HZJFTKBUVNUMQY-ZIAGYGMSSA-N	1	0	365.455	1.684	20	30		FDEDRO
COC[C@H]1CCCC[N@@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000452044628	830509413	/nfs/dbraw/zinc/50/94/13/830509413.db2.gz	WMMMTRROWXTECZ-OAHLLOKOSA-N	1	0	361.446	1.004	20	30		FDEDRO
C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1	ZINC000453458008	830938101	/nfs/dbraw/zinc/93/81/01/830938101.db2.gz	JYUXFIQEKSESII-CQSZACIVSA-N	1	0	374.493	1.115	20	30		FDEDRO
CCN(CC[NH+]1CCCCCC1)C(=O)C(=O)Nc1ccc(C#N)c(C)n1	ZINC000453738832	831051771	/nfs/dbraw/zinc/05/17/71/831051771.db2.gz	BBJAXCRFIZFAQF-UHFFFAOYSA-N	1	0	357.458	1.925	20	30		FDEDRO
C[C@H](O)CN1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1	ZINC000428506098	831227505	/nfs/dbraw/zinc/22/75/05/831227505.db2.gz	HDTNFLUKFYUFNS-HNNXBMFYSA-N	1	0	369.421	1.869	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cn2c(C)csc2=O)C[C@H]1C(F)(F)F	ZINC001112204645	831231033	/nfs/dbraw/zinc/23/10/33/831231033.db2.gz	CLZCKFKOVLZYMD-VXGBXAGGSA-N	1	0	361.389	1.220	20	30		FDEDRO
C[NH+]=C(NCC1CCN(Cc2nc(C)c(C)o2)CC1)N1CCC(O)CC1	ZINC000262752952	831263614	/nfs/dbraw/zinc/26/36/14/831263614.db2.gz	CHWQKDBXVBTNHD-UHFFFAOYSA-N	1	0	363.506	1.536	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)C#CC4CC4)CC[C@@H]3C2)CC1	ZINC000986244895	831353646	/nfs/dbraw/zinc/35/36/46/831353646.db2.gz	DNCIDXYRPCLQFP-UXHICEINSA-N	1	0	367.493	1.052	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CC4(C)C)C[C@H]3C2)CC1	ZINC000986247289	831361048	/nfs/dbraw/zinc/36/10/48/831361048.db2.gz	ZUUCTYDVRXTVCY-CEXWTWQISA-N	1	0	371.525	1.685	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CC[C@@H](CCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1	ZINC001059707985	831409004	/nfs/dbraw/zinc/40/90/04/831409004.db2.gz	WNAWJEQJBDTFAK-BRWVUGGUSA-N	1	0	365.518	1.663	20	30		FDEDRO
CC[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)NC1CCN(C(=O)C2CC2)CC1	ZINC000262803564	831510483	/nfs/dbraw/zinc/51/04/83/831510483.db2.gz	RMXXUONTDPONEG-PXNSSMCTSA-N	1	0	364.534	1.884	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C4(C)CCC4)C[C@@H]3C2)CC1	ZINC000986489563	831757572	/nfs/dbraw/zinc/75/75/72/831757572.db2.gz	GIRWCOLENRLCCL-MOPGFXCFSA-N	1	0	371.525	1.829	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@H](CCNC(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC001059730878	831992299	/nfs/dbraw/zinc/99/22/99/831992299.db2.gz	SKWFXYXYLIJPLC-JKIFEVAISA-N	1	0	357.458	1.195	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@@H]2C1	ZINC000986594057	832006210	/nfs/dbraw/zinc/00/62/10/832006210.db2.gz	GVIUWDUKNXIWLG-IPELMVKDSA-N	1	0	368.481	1.828	20	30		FDEDRO
COc1ccc(CN2C[C@@H](NC(=O)c3coc(C)c3)[C@@H](O)C2)cc1C#N	ZINC001083427759	832038210	/nfs/dbraw/zinc/03/82/10/832038210.db2.gz	SVMRSWISUQFZBN-SJORKVTESA-N	1	0	355.394	1.443	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H]3CN(C(=O)[C@@H](C4CC4)[NH+](C)C)CC[C@@H]3C2)C1	ZINC000986632481	832120887	/nfs/dbraw/zinc/12/08/87/832120887.db2.gz	BSBSZZVGTNKIAT-FGTMMUONSA-N	1	0	359.514	1.990	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C3(C)CC(=C)C3)C[C@@H]2C1	ZINC000986639297	832132564	/nfs/dbraw/zinc/13/25/64/832132564.db2.gz	KDSQTZUTNWRBGA-QYZOEREBSA-N	1	0	369.509	1.747	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CC[C@@H]2C1	ZINC000986686500	832198295	/nfs/dbraw/zinc/19/82/95/832198295.db2.gz	UFHNLUNYRJCRMG-UAGQMJEPSA-N	1	0	369.469	1.291	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C[C@H](O)Cc1ccc(F)cc1	ZINC001088511481	832323925	/nfs/dbraw/zinc/32/39/25/832323925.db2.gz	PZRIBUDLNSWXHC-XWIAVFTESA-N	1	0	370.428	1.822	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000987050342	832498737	/nfs/dbraw/zinc/49/87/37/832498737.db2.gz	PATCTZGPWKLALH-HYVNUMGLSA-N	1	0	371.485	1.728	20	30		FDEDRO
COc1ccc(C[N@@H+]2CC[C@H](NC(=O)C3=CCOCC3)[C@H]2C)cc1C#N	ZINC001088537349	832513818	/nfs/dbraw/zinc/51/38/18/832513818.db2.gz	SBXXXQIVNKUYHT-KDOFPFPSSA-N	1	0	355.438	1.993	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3ccsc3)[C@H]2C)CC1	ZINC000987295434	832751143	/nfs/dbraw/zinc/75/11/43/832751143.db2.gz	MCHOEOMSSUXRNH-PBHICJAKSA-N	1	0	359.495	1.813	20	30		FDEDRO
C=CCOCCCNC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1	ZINC000666523630	833881500	/nfs/dbraw/zinc/88/15/00/833881500.db2.gz	XJKINTHCYZPOSV-ROUUACIJSA-N	1	0	352.523	1.779	20	30		FDEDRO
C=C(C)CCC(=O)NCC[C@H]1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1	ZINC001059858252	834143598	/nfs/dbraw/zinc/14/35/98/834143598.db2.gz	QKQQUAFYEPJYKA-IXDOHACOSA-N	1	0	351.491	1.417	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CCN(C(=O)[C@]34C[C@H]3CCC4)C2)CC1	ZINC000988208822	834235618	/nfs/dbraw/zinc/23/56/18/834235618.db2.gz	XHCUDUYJHBVFAY-SFGWALBWSA-N	1	0	371.525	1.829	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C)c1	ZINC000988327131	834373399	/nfs/dbraw/zinc/37/33/99/834373399.db2.gz	OCPZJNBBOORZBK-DTDBQYNISA-N	1	0	354.454	1.122	20	30		FDEDRO
C#CCC1(NC(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)CCOCC1	ZINC000888209109	834467653	/nfs/dbraw/zinc/46/76/53/834467653.db2.gz	AZLINWFGLLSGPO-UHFFFAOYSA-N	1	0	351.491	1.748	20	30		FDEDRO
CC(C)(CC#N)CNC(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1	ZINC000459255384	834889688	/nfs/dbraw/zinc/88/96/88/834889688.db2.gz	GVOGGQLFKGTGRA-KRWDZBQOSA-N	1	0	374.485	1.693	20	30		FDEDRO
C[NH+](C)CCNC(=O)C1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])CC1	ZINC000459367717	835080247	/nfs/dbraw/zinc/08/02/47/835080247.db2.gz	XIPKTDVLVMAUJJ-UHFFFAOYSA-N	1	0	359.430	1.356	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1	ZINC000454541936	835548468	/nfs/dbraw/zinc/54/84/68/835548468.db2.gz	KRWNNLLIYDXQBD-UHFFFAOYSA-N	1	0	374.445	1.472	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)NC[C@@H]2CCCC[N@H+]2CCO)cc1	ZINC000454543620	835549907	/nfs/dbraw/zinc/54/99/07/835549907.db2.gz	ROWWGDOTDCIRNR-KRWDZBQOSA-N	1	0	360.458	1.571	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3ccns3)[C@@H]2C)CC1	ZINC000988506004	835657044	/nfs/dbraw/zinc/65/70/44/835657044.db2.gz	HWLHZRLATYBYLM-HIFRSBDPSA-N	1	0	360.483	1.208	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3c[nH]cc3C)[C@@H]2C)CC1	ZINC000988505992	835657257	/nfs/dbraw/zinc/65/72/57/835657257.db2.gz	HELSXWIHWWMIHB-QAPCUYQASA-N	1	0	356.470	1.388	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3ccn(C)c3C)[C@@H]2C)CC1	ZINC000988506736	835659156	/nfs/dbraw/zinc/65/91/56/835659156.db2.gz	OERDQUNXVGJFHG-APWZRJJASA-N	1	0	370.497	1.398	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCn2ccnc2C1	ZINC000455157311	835929382	/nfs/dbraw/zinc/92/93/82/835929382.db2.gz	XZCUAIICENPUOR-SFHVURJKSA-N	1	0	351.454	1.908	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)CC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1	ZINC000988565598	835987221	/nfs/dbraw/zinc/98/72/21/835987221.db2.gz	UCXPSUQDXWJTHP-KURKYZTESA-N	1	0	365.518	1.615	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1	ZINC000455434264	836060052	/nfs/dbraw/zinc/06/00/52/836060052.db2.gz	OYGPDTIUVJVTGI-MOPGFXCFSA-N	1	0	364.534	1.920	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](CCCOCc2ccccc2)C[C@H]1OC	ZINC001212031933	836345501	/nfs/dbraw/zinc/34/55/01/836345501.db2.gz	BLPISEYZCLUVBD-RTBURBONSA-N	1	0	362.470	1.611	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn4cc[nH]c34)[C@@H]2C(C)C)C[C@H]1O	ZINC001105669253	844165339	/nfs/dbraw/zinc/16/53/39/844165339.db2.gz	QKXCNQANIYHSNO-VIPLHTEESA-N	1	0	369.469	1.265	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)CN(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000249571908	836490631	/nfs/dbraw/zinc/49/06/31/836490631.db2.gz	OMLMGEOMZSMGTC-NQIIRXRSSA-N	1	0	372.513	1.563	20	30		FDEDRO
Cn1cncc1C(=O)N1CC[C@H]2CN(Cc3ccc(C#N)c(F)c3)C[C@H]21	ZINC001075995904	844188357	/nfs/dbraw/zinc/18/83/57/844188357.db2.gz	KOWUNSYXOIBMBQ-MAUKXSAKSA-N	1	0	353.401	1.777	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn4cc[nH]c34)[C@H]2C(C)C)C[C@H]1O	ZINC001105669347	844209832	/nfs/dbraw/zinc/20/98/32/844209832.db2.gz	QXBUQCZNNDQFLV-WWNBULGVSA-N	1	0	371.485	1.818	20	30		FDEDRO
CN1CC[C@@H](CC(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)C1=O	ZINC001075920569	837042890	/nfs/dbraw/zinc/04/28/90/837042890.db2.gz	KYQQYVUYMRLMBQ-GBESFXJTSA-N	1	0	366.465	1.459	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1	ZINC000938034376	837069239	/nfs/dbraw/zinc/06/92/39/837069239.db2.gz	VURWXLNRIKAUBN-KSZLIROESA-N	1	0	363.502	1.561	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cc1	ZINC000938043208	837204010	/nfs/dbraw/zinc/20/40/10/837204010.db2.gz	CLFCOEKTHKYFCE-GBESFXJTSA-N	1	0	353.466	1.729	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC[NH2+]CC2)cc1	ZINC000666833210	837906489	/nfs/dbraw/zinc/90/64/89/837906489.db2.gz	SANBWJGJCYNUNS-CQSZACIVSA-N	1	0	366.487	1.757	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000988948571	837977570	/nfs/dbraw/zinc/97/75/70/837977570.db2.gz	PPYNMVPRQKMOSU-WBMJQRKESA-N	1	0	362.393	1.567	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1	ZINC000938095815	838331304	/nfs/dbraw/zinc/33/13/04/838331304.db2.gz	WULLLPKEJGNWOB-UHOSZYNNSA-N	1	0	371.481	1.670	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1	ZINC000428588230	838345102	/nfs/dbraw/zinc/34/51/02/838345102.db2.gz	BJJVKQWRWMDKGA-QGZVFWFLSA-N	1	0	357.454	1.535	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000429770361	838526290	/nfs/dbraw/zinc/52/62/90/838526290.db2.gz	UHOHHDLQCUJVKP-CVEARBPZSA-N	1	0	366.425	1.187	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C)cn1	ZINC000989165282	838552142	/nfs/dbraw/zinc/55/21/42/838552142.db2.gz	DNIHIEGNCWCSDE-RKVPGOIHSA-N	1	0	354.454	1.124	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc(=O)n(C)cn2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088633242	838632760	/nfs/dbraw/zinc/63/27/60/838632760.db2.gz	ZIVRTRVFTWHRCL-CJNGLKHVSA-N	1	0	351.410	1.045	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088659425	839466622	/nfs/dbraw/zinc/46/66/22/839466622.db2.gz	RQTRTCPKBSCKLC-VVWQDTPRSA-N	1	0	356.470	1.356	20	30		FDEDRO
C#CC[C@@H](NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1	ZINC000841865206	839519938	/nfs/dbraw/zinc/51/99/38/839519938.db2.gz	NDWWSYOFVOGMTK-CVEARBPZSA-N	1	0	368.403	1.886	20	30		FDEDRO
C=CCOCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1OCC[C@H]1C)CCO2	ZINC001105482091	839778791	/nfs/dbraw/zinc/77/87/91/839778791.db2.gz	TVNVVOVAIHNVOU-BHASAWDCSA-N	1	0	366.502	1.744	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(C)s1)C2	ZINC001112236673	839790693	/nfs/dbraw/zinc/79/06/93/839790693.db2.gz	RSLCJQDLKWGLBO-KXBFYZLASA-N	1	0	359.495	1.638	20	30		FDEDRO
COC(=O)CCn1nc(C)c(C[NH+]2CCC3(CC2)CC(=O)C=CO3)c1C	ZINC000897602203	839930302	/nfs/dbraw/zinc/93/03/02/839930302.db2.gz	IYRISISROQZVBR-UHFFFAOYSA-N	1	0	361.442	1.901	20	30		FDEDRO
C[NH+]1CCC(CNC(=S)N2CCN(c3ccccc3C#N)CC2)CC1	ZINC000760478868	840005935	/nfs/dbraw/zinc/00/59/35/840005935.db2.gz	SALZNKLIPSVLIO-UHFFFAOYSA-N	1	0	357.527	1.897	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C=C(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105589561	840104390	/nfs/dbraw/zinc/10/43/90/840104390.db2.gz	ADBWCCDZAYSXSM-SMOSDQRPSA-N	1	0	363.502	1.221	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccoc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105593464	840259728	/nfs/dbraw/zinc/25/97/28/840259728.db2.gz	ADKINKYOEWTIIR-FTEYMNFISA-N	1	0	360.454	1.509	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)c1	ZINC000842033596	840778331	/nfs/dbraw/zinc/77/83/31/840778331.db2.gz	YMJVNMUUSHQAKA-RTBURBONSA-N	1	0	353.466	1.665	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)c1	ZINC000842033595	840778472	/nfs/dbraw/zinc/77/84/72/840778472.db2.gz	YMJVNMUUSHQAKA-RBUKOAKNSA-N	1	0	353.466	1.665	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCn3cccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105598826	840781242	/nfs/dbraw/zinc/78/12/42/840781242.db2.gz	XQTUHVSBAIWCAZ-JYBIWHBTSA-N	1	0	358.486	1.263	20	30		FDEDRO
N#Cc1ccc(Br)c(C[NH2+]CCCn2ccc(=O)[nH]c2=O)c1	ZINC000898325717	840946481	/nfs/dbraw/zinc/94/64/81/840946481.db2.gz	JEQAHUYHZUBDSR-UHFFFAOYSA-N	1	0	363.215	1.763	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)n(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105601382	841032124	/nfs/dbraw/zinc/03/21/24/841032124.db2.gz	XMTHZXJPTBHJFL-FTEYMNFISA-N	1	0	358.486	1.332	20	30		FDEDRO
C=CCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cncn3C)C2)[C@H]1C(C)C	ZINC001105603961	841179693	/nfs/dbraw/zinc/17/96/93/841179693.db2.gz	QUWYJVJFNMZOHD-HNBVOPMISA-N	1	0	360.502	1.852	20	30		FDEDRO
C=CCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NCC=C)C2)[C@@H]1C(C)C	ZINC001105604680	841184845	/nfs/dbraw/zinc/18/48/45/841184845.db2.gz	WHHOUGNCRUMYOY-YAJHFMINSA-N	1	0	363.502	1.221	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCOCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105607451	841226092	/nfs/dbraw/zinc/22/60/92/841226092.db2.gz	RSZWQSMMBPWIOO-HNBVOPMISA-N	1	0	368.518	1.582	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(CC)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105607681	841232813	/nfs/dbraw/zinc/23/28/13/841232813.db2.gz	VSFNWGXWXCSSTL-SOAMZJECSA-N	1	0	358.486	1.506	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)CCn3ccnc3)[C@@H]2C)c1	ZINC000989804378	841475027	/nfs/dbraw/zinc/47/50/27/841475027.db2.gz	VDTTZACBDJWDQQ-PBHICJAKSA-N	1	0	351.410	1.069	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncoc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105610010	841539069	/nfs/dbraw/zinc/53/90/69/841539069.db2.gz	FZQNPHBHUUMNDQ-CWLMSFPYSA-N	1	0	359.470	1.840	20	30		FDEDRO
C=CCn1c([C@H]2COCCO2)nnc1N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000669056876	861211303	/nfs/dbraw/zinc/21/13/03/861211303.db2.gz	WMXKXGNRCYAQNY-HZPDHXFCSA-N	1	0	365.478	1.099	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1	ZINC000643494637	841615907	/nfs/dbraw/zinc/61/59/07/841615907.db2.gz	SBSAEFIRQRZZPF-AEFFLSMTSA-N	1	0	357.454	1.420	20	30		FDEDRO
CCO[C@@H]1C[C@@H](NC(=[NH+]C)N2CCN(C(=O)c3ccco3)CC2)C12CCC2	ZINC000089158678	841705863	/nfs/dbraw/zinc/70/58/63/841705863.db2.gz	RVWPVHUGAHBTBD-IAGOWNOFSA-N	1	0	374.485	1.961	20	30		FDEDRO
N#Cc1cccc(CN2C[C@@H](NC(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H](O)C2)c1	ZINC001083668266	861231186	/nfs/dbraw/zinc/23/11/86/861231186.db2.gz	JWWIMSLRVDKLOI-AABGKKOBSA-N	1	0	368.481	1.094	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCC=C)[C@H]2C(C)C)C[C@H]1O	ZINC001105612036	841939230	/nfs/dbraw/zinc/93/92/30/841939230.db2.gz	WWVUQMKGCMAGFI-JYBIWHBTSA-N	1	0	366.502	1.358	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@H]1C(C)C	ZINC001105613852	842224773	/nfs/dbraw/zinc/22/47/73/842224773.db2.gz	CKFLLOBEJBKZKG-HNBVOPMISA-N	1	0	368.518	1.582	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3oc(C)nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105613777	842225127	/nfs/dbraw/zinc/22/51/27/842225127.db2.gz	BSXDFDAQPPLOQA-CIWUYKSXSA-N	1	0	359.470	1.894	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cc(C)n[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105615598	842231649	/nfs/dbraw/zinc/23/16/49/842231649.db2.gz	YNVRPBQWCWWPBJ-IZBJGVDFSA-N	1	0	360.502	1.803	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)ncn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619319	842236837	/nfs/dbraw/zinc/23/68/37/842236837.db2.gz	IZDCONFOARMZQS-SOAMZJECSA-N	1	0	356.470	1.388	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(=O)NCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619594	842238376	/nfs/dbraw/zinc/23/83/76/842238376.db2.gz	OAZPFJOOPOZJFH-OHDICMOHSA-N	1	0	351.491	1.055	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccncc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105626849	842258447	/nfs/dbraw/zinc/25/84/47/842258447.db2.gz	IPTRBYODFJODPZ-ANTGDGSKSA-N	1	0	355.482	1.993	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccncc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105626851	842258694	/nfs/dbraw/zinc/25/86/94/842258694.db2.gz	IPTRBYODFJODPZ-WERVVEIQSA-N	1	0	355.482	1.993	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3(OC)CCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105628951	842262346	/nfs/dbraw/zinc/26/23/46/842262346.db2.gz	ZEELSCDCFZITEE-IZBJGVDFSA-N	1	0	362.514	1.935	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCOCC=C)[C@H]2C(C)C)C[C@H]1O	ZINC001105614191	842265584	/nfs/dbraw/zinc/26/55/84/842265584.db2.gz	FJPWTAIPCYKATK-RMVXJAJNSA-N	1	0	362.514	1.959	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)ncn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105636956	842269665	/nfs/dbraw/zinc/26/96/65/842269665.db2.gz	HJEGMYTYRFFEET-QQTQMKHKSA-N	1	0	358.486	1.332	20	30		FDEDRO
Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1	ZINC000760551784	842270463	/nfs/dbraw/zinc/27/04/63/842270463.db2.gz	QPNLBCSLVFYWNJ-QGZVFWFLSA-N	1	0	365.441	1.619	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cnccc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105637277	842271414	/nfs/dbraw/zinc/27/14/14/842271414.db2.gz	MMOFBJSLXOPIDS-WKDRNLAYSA-N	1	0	369.509	1.922	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc4n3CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001105637470	842271904	/nfs/dbraw/zinc/27/19/04/842271904.db2.gz	QIJJREFGTNABOA-DOSUHQCWSA-N	1	0	370.497	1.432	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(C)C(=O)C3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105634019	842283399	/nfs/dbraw/zinc/28/33/99/842283399.db2.gz	YTPGEKHEOCMFTH-ZTRFORPCSA-N	1	0	363.502	1.007	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3(C)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105642060	842301884	/nfs/dbraw/zinc/30/18/84/842301884.db2.gz	HDFIHDDRMKDVKY-REHHDOPLSA-N	1	0	362.514	1.793	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(COC)CCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105642698	842319495	/nfs/dbraw/zinc/31/94/95/842319495.db2.gz	LFCTTXUFHSDVCQ-WWNBULGVSA-N	1	0	350.503	1.955	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(C(N)=O)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105651363	842445603	/nfs/dbraw/zinc/44/56/03/842445603.db2.gz	GFOFUSRMGORBNV-NNFUDEMPSA-N	1	0	363.502	1.184	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(N)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105651432	842446896	/nfs/dbraw/zinc/44/68/96/842446896.db2.gz	HFSSAOKENLXTHB-OAFZBRQQSA-N	1	0	353.507	1.408	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@H]2C(C)C)C[C@H]1O	ZINC001105652164	842451683	/nfs/dbraw/zinc/45/16/83/842451683.db2.gz	KUESOYYZZRSUKP-YSCDGHNMSA-N	1	0	362.514	1.811	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cscn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105655871	842479137	/nfs/dbraw/zinc/47/91/37/842479137.db2.gz	LTAVTMCNLZTLGS-ZAWLATJESA-N	1	0	361.511	1.675	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)CNC(C)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105655319	842483573	/nfs/dbraw/zinc/48/35/73/842483573.db2.gz	HJYHVCPKMPNJMR-WWNBULGVSA-N	1	0	365.518	1.301	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cscn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105655576	842484310	/nfs/dbraw/zinc/48/43/10/842484310.db2.gz	JHHZIHZMQWZFHT-FPAYPSAMSA-N	1	0	361.511	1.675	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3nccc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105656423	842493297	/nfs/dbraw/zinc/49/32/97/842493297.db2.gz	PUWKFWFCKRPVGB-JYBIWHBTSA-N	1	0	358.486	1.181	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1	ZINC001060037765	842499224	/nfs/dbraw/zinc/49/92/24/842499224.db2.gz	MFEHUTCYAFLAAB-AOIWGVFYSA-N	1	0	365.518	1.664	20	30		FDEDRO
COc1cnc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)nc1	ZINC001088731528	842640656	/nfs/dbraw/zinc/64/06/56/842640656.db2.gz	TUWBBAZOMQGXDS-DYVFJYSZSA-N	1	0	351.410	1.750	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncccc3F)[C@@H]2C(C)C)C[C@H]1O	ZINC001105661371	842689975	/nfs/dbraw/zinc/68/99/75/842689975.db2.gz	IDQZKYLRLSCUNM-QQTQMKHKSA-N	1	0	359.445	1.824	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CN(C)C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC000990544098	842736561	/nfs/dbraw/zinc/73/65/61/842736561.db2.gz	IRRGETSEZRUVDJ-FHLIZLRMSA-N	1	0	371.485	1.680	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(=O)N(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105663859	842859025	/nfs/dbraw/zinc/85/90/25/842859025.db2.gz	VWJQDUFVSZCFKV-SMOSDQRPSA-N	1	0	365.518	1.397	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3cnccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105666698	843293289	/nfs/dbraw/zinc/29/32/89/843293289.db2.gz	IIHWPEVWURTPFB-VURPSTOHSA-N	1	0	370.497	1.399	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)cc1	ZINC000667264321	843470298	/nfs/dbraw/zinc/47/02/98/843470298.db2.gz	JLTOFJOFOJQGFC-OAHLLOKOSA-N	1	0	359.430	1.191	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088766500	843588601	/nfs/dbraw/zinc/58/86/01/843588601.db2.gz	PZLSYHPZOLKWAH-GIOXJEDJSA-N	1	0	369.465	1.689	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(Cl)no3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667297	843614434	/nfs/dbraw/zinc/61/44/34/843614434.db2.gz	ALFFMXVSZFTJMA-FAELENHSSA-N	1	0	365.861	1.931	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)[C@@H](O)C1	ZINC001083483535	843778406	/nfs/dbraw/zinc/77/84/06/843778406.db2.gz	YNVKPRFPZBJZQI-OAGGEKHMSA-N	1	0	351.491	1.151	20	30		FDEDRO
N#Cc1sccc1N1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1	ZINC000898585896	844899855	/nfs/dbraw/zinc/89/98/55/844899855.db2.gz	FYGAUZOZVFKVPI-UHFFFAOYSA-N	1	0	360.483	1.379	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O	ZINC001083505261	844934353	/nfs/dbraw/zinc/93/43/53/844934353.db2.gz	GEKLFZQAWBWCQR-QYZOEREBSA-N	1	0	356.470	1.094	20	30		FDEDRO
C#CCN1C(=O)C[C@@H]([N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3OC)C2)C1=O	ZINC000899245748	845991074	/nfs/dbraw/zinc/99/10/74/845991074.db2.gz	VNHITNVCRYNMOB-GDBMZVCRSA-N	1	0	369.421	1.106	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CC#Cc3ccccc3)C[C@@H]2O)C1	ZINC001083521641	846091917	/nfs/dbraw/zinc/09/19/17/846091917.db2.gz	BNNRNXHXMFJTQQ-HBMCJLEFSA-N	1	0	369.509	1.177	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCc3nn[nH]c32)CCN1CC#Cc1ccccc1	ZINC001088824115	846389338	/nfs/dbraw/zinc/38/93/38/846389338.db2.gz	QMDJCQGLGKNPMZ-NXHRZFHOSA-N	1	0	363.465	1.855	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCC(F)(F)CC2)C[C@@H]1O	ZINC001083535884	846924236	/nfs/dbraw/zinc/92/42/36/846924236.db2.gz	RWARCPGRKMGXMI-IKGGRYGDSA-N	1	0	369.456	1.071	20	30		FDEDRO
C[N@@H+]1CCC[C@](O)(CC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000899967836	846955640	/nfs/dbraw/zinc/95/56/40/846955640.db2.gz	XORRGCNKPMHHHM-FQEVSTJZSA-N	1	0	356.470	1.049	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](CNc3cncc(C#N)n3)C2)CC[N@@H+]1C	ZINC001060099438	847281645	/nfs/dbraw/zinc/28/16/45/847281645.db2.gz	ZYIQQFJSPMHQRX-BHYGNILZSA-N	1	0	356.474	1.729	20	30		FDEDRO
O=C([C@@H]1CCNC1=O)N1CC[C@H]2CN(CC#Cc3cccc(Cl)c3)C[C@H]21	ZINC001076131809	847371893	/nfs/dbraw/zinc/37/18/93/847371893.db2.gz	JSIRIMZBJLBTCW-CGTJXYLNSA-N	1	0	371.868	1.360	20	30		FDEDRO
CN1CC[C@H](C(=O)N2CC[C@H]3CN(Cc4ccc(F)c(C#N)c4)C[C@H]32)C1=O	ZINC001076151457	847397563	/nfs/dbraw/zinc/39/75/63/847397563.db2.gz	UMJVEAPTOBDESG-QILLFSRXSA-N	1	0	370.428	1.208	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)N1CCC(OC(C)(C)C)CC1	ZINC000159579223	847502818	/nfs/dbraw/zinc/50/28/18/847502818.db2.gz	POPNJOMNCAKCSQ-AWEZNQCLSA-N	1	0	374.551	1.123	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc[nH]c4C4CC4)[C@@H]3C2)C1=O	ZINC001076185027	847506290	/nfs/dbraw/zinc/50/62/90/847506290.db2.gz	FOCNXFUSEUGCLU-RYQLBKOJSA-N	1	0	368.481	1.825	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccn(C)c4C)[C@@H]3C2)C1=O	ZINC001076218650	847571029	/nfs/dbraw/zinc/57/10/29/847571029.db2.gz	YBGUORSGFSZWQW-CGTJXYLNSA-N	1	0	356.470	1.267	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ocnc4CC)[C@@H]3C2)C1=O	ZINC001076222092	847589443	/nfs/dbraw/zinc/58/94/43/847589443.db2.gz	MSZGFQLHNLONKC-NUEKZKHPSA-N	1	0	358.442	1.170	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CCc4ccns4)C[C@H]32)nc1	ZINC001076475813	848239812	/nfs/dbraw/zinc/23/98/12/848239812.db2.gz	GYJNWMSTRUZHLX-MAUKXSAKSA-N	1	0	352.463	1.908	20	30		FDEDRO
CC(=O)N1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001076479126	848248650	/nfs/dbraw/zinc/24/86/50/848248650.db2.gz	JMMGPNOLAHSRAD-SLFFLAALSA-N	1	0	366.465	1.602	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)NC3CC3)C[C@H]21	ZINC001076500581	848293313	/nfs/dbraw/zinc/29/33/13/848293313.db2.gz	FWNXUARECVGCDN-ZAAXVRCTSA-N	1	0	365.477	1.410	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4cnn5cc[nH]c45)[C@@H]3C2)c1	ZINC001076503545	848299666	/nfs/dbraw/zinc/29/96/66/848299666.db2.gz	MZONIMZCSKCGFJ-FUHWJXTLSA-N	1	0	360.421	1.881	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(-n4cnnn4)c3)[C@@H]2C1	ZINC001076556616	848424937	/nfs/dbraw/zinc/42/49/37/848424937.db2.gz	TUZVVMNYKVELQV-FUHWJXTLSA-N	1	0	352.442	1.775	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnn3cc(C)cnc13)C2	ZINC001112537517	848561225	/nfs/dbraw/zinc/56/12/25/848561225.db2.gz	KHQCDSSJWOBGRI-JXFKEZNVSA-N	1	0	351.454	1.893	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2CC[C@H]3C[N@@H+]([C@H](CC)C(N)=O)C[C@H]32)cc1	ZINC001076617340	848584776	/nfs/dbraw/zinc/58/47/76/848584776.db2.gz	YKFUGFLLYMJKSH-QXAKKESOSA-N	1	0	371.481	1.591	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C	ZINC001076738220	848906966	/nfs/dbraw/zinc/90/69/66/848906966.db2.gz	TXLULAPBTZFNCZ-YVSFHVDLSA-N	1	0	351.491	1.463	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCc4ccc(F)cc43)C[C@H]2O)[nH]1	ZINC001076898546	849283156	/nfs/dbraw/zinc/28/31/56/849283156.db2.gz	OFUCYEIFSUEVOE-GUDVDZBRSA-N	1	0	368.412	1.878	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1O	ZINC001076985920	849475674	/nfs/dbraw/zinc/47/56/74/849475674.db2.gz	DGUPROBPCUZKMF-BRWVUGGUSA-N	1	0	362.499	1.154	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)C1	ZINC001077017492	849549980	/nfs/dbraw/zinc/54/99/80/849549980.db2.gz	COYOWWXIYNBMKX-NAMXFBEWSA-N	1	0	358.404	1.786	20	30		FDEDRO
CNC(=O)C[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccccc1	ZINC000483412721	849550975	/nfs/dbraw/zinc/55/09/75/849550975.db2.gz	VVSUXPZDLMMHMO-SFHVURJKSA-N	1	0	350.422	1.641	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(COC)cc2)C[C@H]1O	ZINC001077019184	849554015	/nfs/dbraw/zinc/55/40/15/849554015.db2.gz	MMJHXUGGWNOQEX-WTGUMLROSA-N	1	0	374.481	1.476	20	30		FDEDRO
COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)[C@H](C)C3CCC3)C2)cc1C#N	ZINC001077211704	850105391	/nfs/dbraw/zinc/10/53/91/850105391.db2.gz	FIHFCEJTSNESAB-FSPWUOQZSA-N	1	0	357.454	1.664	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)cc1	ZINC001077312140	850513178	/nfs/dbraw/zinc/51/31/78/850513178.db2.gz	PHBKFYLFXMLUIJ-RTBURBONSA-N	1	0	361.405	1.181	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccc2c[nH+]cn2c1	ZINC001077380438	850756740	/nfs/dbraw/zinc/75/67/40/850756740.db2.gz	AYOMDANIEPUBCD-WBAXXEDZSA-N	1	0	370.453	1.940	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@@H]1O	ZINC001083578391	850942293	/nfs/dbraw/zinc/94/22/93/850942293.db2.gz	JHIZZHVKEHVPQO-NXHRZFHOSA-N	1	0	360.454	1.595	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(c1nc([C@H]3CC(=O)N(CC4CCC4)C3)no1)C2	ZINC000904098639	850954578	/nfs/dbraw/zinc/95/45/78/850954578.db2.gz	YDJQSUWFKIGTJK-MLBPIDQTSA-N	1	0	355.442	1.792	20	30		FDEDRO
O=C([C@@H]1CCC[N@@H+]1C1CC1)N(O)CCCN1C(=O)c2ccccc2C1=O	ZINC000904185730	851005247	/nfs/dbraw/zinc/00/52/47/851005247.db2.gz	HQNPFRIBSYYQNC-INIZCTEOSA-N	1	0	357.410	1.517	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[NH2+]C[C@@H]2COC)cc1	ZINC000904312172	851095482	/nfs/dbraw/zinc/09/54/82/851095482.db2.gz	NSFABRBNKQWTDU-GOSISDBHSA-N	1	0	372.469	1.953	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1	ZINC000668390645	851152498	/nfs/dbraw/zinc/15/24/98/851152498.db2.gz	UAYQIUOHLGNFEG-IRXDYDNUSA-N	1	0	351.491	1.274	20	30		FDEDRO
COC[C@@H]1C[NH2+]CCN1C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1	ZINC000904535673	851280870	/nfs/dbraw/zinc/28/08/70/851280870.db2.gz	OCANAFNOAPIDEY-KRWDZBQOSA-N	1	0	354.414	1.255	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCCN2c2nccnc2C#N)CC[N@@H+]1C	ZINC001060184431	851376690	/nfs/dbraw/zinc/37/66/90/851376690.db2.gz	GEYGJCYXGONPTI-HLLBOEOZSA-N	1	0	356.474	1.554	20	30		FDEDRO
C=CCc1cc(C[NH2+]C[C@H](O)C[C@]2(O)CCOC2)cc(OC)c1OC	ZINC000905080430	851631939	/nfs/dbraw/zinc/63/19/39/851631939.db2.gz	MFDLZHIINHKGHC-VQIMIIECSA-N	1	0	351.443	1.424	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+]C[C@@H](O)C[C@H](O)c3ccccc3)CC2)nc1	ZINC000905089825	851639412	/nfs/dbraw/zinc/63/94/12/851639412.db2.gz	RVBYJQKMCTXUIF-PMACEKPBSA-N	1	0	366.465	1.996	20	30		FDEDRO
CC[C@](O)(C[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(F)(F)F	ZINC000905229133	851738155	/nfs/dbraw/zinc/73/81/55/851738155.db2.gz	HDSQADZCHNXIDY-HOCLYGCPSA-N	1	0	355.360	1.952	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1	ZINC000905244793	851769561	/nfs/dbraw/zinc/76/95/61/851769561.db2.gz	SRJHNJRUUJLLMO-OAGGEKHMSA-N	1	0	374.547	1.559	20	30		FDEDRO
C#Cc1ccc(C[NH2+]C[C@H](O)CC2(O)CCC(C(=O)OCC)CC2)cc1	ZINC000905273317	851806548	/nfs/dbraw/zinc/80/65/48/851806548.db2.gz	LGPFJUUFNBEPAX-OBXNSHGQSA-N	1	0	359.466	1.993	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(-c2nc(CC3CC[NH2+]CC3)no2)c1	ZINC000905314534	851826781	/nfs/dbraw/zinc/82/67/81/851826781.db2.gz	DWRMIRQFZHQNAV-UHFFFAOYSA-N	1	0	360.439	1.190	20	30		FDEDRO
COc1ccc(-c2nn(CC(=O)NCC#CC[NH+](C)C)cc2C=O)cc1	ZINC000913524911	862289520	/nfs/dbraw/zinc/28/95/20/862289520.db2.gz	BPPSIOGRDXBIHW-UHFFFAOYSA-N	1	0	354.410	1.052	20	30		FDEDRO
COc1ccccc1-n1c(C)nnc1SCC(=O)NCC#CC[NH+](C)C	ZINC000913515181	862295333	/nfs/dbraw/zinc/29/53/33/862295333.db2.gz	MPIWVCZDXWNQGH-UHFFFAOYSA-N	1	0	373.482	1.358	20	30		FDEDRO
COc1ccc(-n2ccnc2SCC(=O)NCC#CC[NH+](C)C)cc1	ZINC000913515265	862295620	/nfs/dbraw/zinc/29/56/20/862295620.db2.gz	PIINLYDUWXXAIV-UHFFFAOYSA-N	1	0	358.467	1.654	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CCC3(CCOCC3)CO2)CCOCC1	ZINC000905425112	851931839	/nfs/dbraw/zinc/93/18/39/851931839.db2.gz	NHHOVRWEOFHEIZ-SJORKVTESA-N	1	0	352.475	1.623	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(N3CCNC3=O)cc2)cc1	ZINC000905427846	851933827	/nfs/dbraw/zinc/93/38/27/851933827.db2.gz	OGMCEWDWJKALIY-SFHVURJKSA-N	1	0	366.421	1.617	20	30		FDEDRO
C[C@@H]1C[C@]2(CC[C@H](C[NH2+]C[C@H](O)COc3ccc(CC#N)cc3)O2)CO1	ZINC000905487183	851988113	/nfs/dbraw/zinc/98/81/13/851988113.db2.gz	SETHLSDLCJIEFG-MCYKXBRJSA-N	1	0	360.454	1.809	20	30		FDEDRO
COC(=O)[C@@H](C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)Cc1ccccc1	ZINC000905528936	852022682	/nfs/dbraw/zinc/02/26/82/852022682.db2.gz	KVQZEROZGNNBEP-QZTJIDSGSA-N	1	0	360.454	1.679	20	30		FDEDRO
CC(C)O[C@]1(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCOC1	ZINC000905555353	852030227	/nfs/dbraw/zinc/03/02/27/852030227.db2.gz	FRYTZBATHXROQW-KRWDZBQOSA-N	1	0	352.456	1.506	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCc2nc3c(s2)CCC3)nc1	ZINC000905568115	852042431	/nfs/dbraw/zinc/04/24/31/852042431.db2.gz	JLJAPJAZTOLSBS-UHFFFAOYSA-N	1	0	362.480	1.504	20	30		FDEDRO
N#Cc1cccc(Oc2ccnc(N3CC[C@H](N4CC[NH2+]CC4)C3)n2)c1	ZINC000905636177	852105050	/nfs/dbraw/zinc/10/50/50/852105050.db2.gz	QBKNSVUEBIDADK-INIZCTEOSA-N	1	0	350.426	1.624	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]CCOC2CCSCC2)c1	ZINC000905707344	852196203	/nfs/dbraw/zinc/19/62/03/852196203.db2.gz	YVIDVYVUUALCJR-UHFFFAOYSA-N	1	0	354.497	1.834	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1	ZINC000668486275	852258158	/nfs/dbraw/zinc/25/81/58/852258158.db2.gz	MAJHUMSRUIGZPO-QGZVFWFLSA-N	1	0	370.497	1.977	20	30		FDEDRO
C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1	ZINC000668510861	852500717	/nfs/dbraw/zinc/50/07/17/852500717.db2.gz	CGBHQVQFSLKVCE-ZWKOTPCHSA-N	1	0	364.534	1.381	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCCC[NH+]1CCOCC1	ZINC000668512384	852510973	/nfs/dbraw/zinc/51/09/73/852510973.db2.gz	QFIINPHERKIXFW-SJORKVTESA-N	1	0	351.491	1.466	20	30		FDEDRO
C=CCc1cc(CNC(=O)C2CN(C)CC[N@H+](C)C2)cc(OC)c1OC	ZINC000906468229	852920740	/nfs/dbraw/zinc/92/07/40/852920740.db2.gz	HEZQDMJOIQPGDE-UHFFFAOYSA-N	1	0	361.486	1.542	20	30		FDEDRO
CN1CC[N@H+](C)CC(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1	ZINC000906576766	853040252	/nfs/dbraw/zinc/04/02/52/853040252.db2.gz	UQRMZDYZAKLRSJ-UHFFFAOYSA-N	1	0	356.470	1.421	20	30		FDEDRO
C#Cc1ccc(S(=O)(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)cc1	ZINC000906846402	853397187	/nfs/dbraw/zinc/39/71/87/853397187.db2.gz	WPRMMWSMTXGAOE-UHFFFAOYSA-N	1	0	370.478	1.293	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)nc1	ZINC000907164252	853864519	/nfs/dbraw/zinc/86/45/19/853864519.db2.gz	FFIVSQPUPGOLMI-HDICACEKSA-N	1	0	368.462	1.706	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)S(=O)(=O)CCCN1CC[NH+](C)CC1	ZINC000907564663	854370001	/nfs/dbraw/zinc/37/00/01/854370001.db2.gz	HDTGODCOLPKBLG-UHFFFAOYSA-N	1	0	356.517	1.019	20	30		FDEDRO
O=C(NO)c1ccc(CNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1	ZINC000907813278	854681041	/nfs/dbraw/zinc/68/10/41/854681041.db2.gz	WHSWPTJSKBEYSI-SFHVURJKSA-N	1	0	353.422	1.944	20	30		FDEDRO
CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc(C#N)nc2)[NH+](C)C)cc1	ZINC000908457567	855469709	/nfs/dbraw/zinc/46/97/09/855469709.db2.gz	FYKQBOBBCPJMRT-GOSISDBHSA-N	1	0	373.482	1.600	20	30		FDEDRO
C#CCCCc1nnc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1C	ZINC000908532405	855540189	/nfs/dbraw/zinc/54/01/89/855540189.db2.gz	UTFPNTCUSNTLCP-ROUUACIJSA-N	1	0	358.534	1.766	20	30		FDEDRO
C=CCn1c([C@H]2CNC(=O)C2)nnc1N1CCN(c2cc[nH+]cc2)[C@H](C)C1	ZINC000908692219	855681590	/nfs/dbraw/zinc/68/15/90/855681590.db2.gz	QQCNZPFPUQLKDL-HUUCEWRRSA-N	1	0	367.457	1.178	20	30		FDEDRO
C=CCn1c(-c2cn[nH]c2)nnc1N1CCN(c2cc[nH+]cc2)[C@@H](C)C1	ZINC000908694168	855682995	/nfs/dbraw/zinc/68/29/95/855682995.db2.gz	VUUWXFYIXYVVFS-AWEZNQCLSA-N	1	0	350.430	1.964	20	30		FDEDRO
C=CCn1c(-c2cccnn2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000908703665	855706654	/nfs/dbraw/zinc/70/66/54/855706654.db2.gz	UCOVNMJCXJEYCR-HNNXBMFYSA-N	1	0	355.446	1.222	20	30		FDEDRO
C=CCn1c(-c2ncnc3[nH]cnc32)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C	ZINC000908711555	855714071	/nfs/dbraw/zinc/71/40/71/855714071.db2.gz	DWPVVBCCJXMNFZ-STQMWFEESA-N	1	0	367.461	1.668	20	30		FDEDRO
C=CCn1c(-c2ncnc3[nH]cnc32)nnc1N1CC[N@@H+](CC)[C@H](C)C1	ZINC000908711442	855714192	/nfs/dbraw/zinc/71/41/92/855714192.db2.gz	AFCGILFLKSGBMK-GFCCVEGCSA-N	1	0	353.434	1.279	20	30		FDEDRO
C=CCn1c(-c2ncon2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1	ZINC000908732764	855727281	/nfs/dbraw/zinc/72/72/81/855727281.db2.gz	VLZHKUZXNAXKAV-ZFWWWQNUSA-N	1	0	355.446	1.967	20	30		FDEDRO
C=CCn1c(-c2ccc(=O)n(C)c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C	ZINC000908739678	855736018	/nfs/dbraw/zinc/73/60/18/855736018.db2.gz	AJXVNGAMZGVUJT-GJZGRUSLSA-N	1	0	356.474	1.749	20	30		FDEDRO
C=CCOc1ccc(CC(=O)NCC(=O)NCC[NH+]2CCCCC2)cc1	ZINC000909315346	856433875	/nfs/dbraw/zinc/43/38/75/856433875.db2.gz	NSNYHHCNIRAUSS-UHFFFAOYSA-N	1	0	359.470	1.512	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1	ZINC001112279018	856762942	/nfs/dbraw/zinc/76/29/42/856762942.db2.gz	KMPQHWURTPUOPG-LNLFQRSKSA-N	1	0	354.491	1.195	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)N(C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000910553960	857285222	/nfs/dbraw/zinc/28/52/22/857285222.db2.gz	JJHLIOPKECQJHG-CALCHBBNSA-N	1	0	373.497	1.899	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1	ZINC000488225921	857390958	/nfs/dbraw/zinc/39/09/58/857390958.db2.gz	ZIXUWATXIYNJBZ-IRXDYDNUSA-N	1	0	364.534	1.474	20	30		FDEDRO
C=C(C)Cn1c(COCC)nnc1N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000669317115	862917732	/nfs/dbraw/zinc/91/77/32/862917732.db2.gz	UFUFAUKYSLKTDA-MRXNPFEDSA-N	1	0	351.495	1.938	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@H]2CCc3ccccc32)CC1	ZINC000668836393	857518405	/nfs/dbraw/zinc/51/84/05/857518405.db2.gz	XYIUFHAKRITDHU-QGZVFWFLSA-N	1	0	355.482	1.941	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCOC)C[C@H]1C	ZINC001105753366	862932250	/nfs/dbraw/zinc/93/22/50/862932250.db2.gz	VGUFAUGVVJRBGB-IXDOHACOSA-N	1	0	353.507	1.520	20	30		FDEDRO
N#Cc1ccc(N(C(=O)C(=O)NCCC2CCC2)[C@H]2CCC[NH2+]C2)nc1	ZINC000910858601	857787814	/nfs/dbraw/zinc/78/78/14/857787814.db2.gz	PMMQGBWMWVIQOE-INIZCTEOSA-N	1	0	355.442	1.345	20	30		FDEDRO
C#CCN(C(=O)C(=O)N(C)CCc1ccccc1F)C1CC[NH+](C)CC1	ZINC000910884416	857834538	/nfs/dbraw/zinc/83/45/38/857834538.db2.gz	CBLXJDRSCYUZNG-UHFFFAOYSA-N	1	0	359.445	1.383	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CC[C@@H](Oc2ccccc2)C1)C1CC[NH+](C)CC1	ZINC000910886959	857840210	/nfs/dbraw/zinc/84/02/10/857840210.db2.gz	OEDQGKMWRKNHSZ-LJQANCHMSA-N	1	0	369.465	1.222	20	30		FDEDRO
C#CCN(C(=O)C(=O)N(C)CCc1ccccc1OC)C1CC[NH+](C)CC1	ZINC000910887112	857841012	/nfs/dbraw/zinc/84/10/12/857841012.db2.gz	ZVTHWNOPLLULER-UHFFFAOYSA-N	1	0	371.481	1.252	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1)C1CC[NH+](C)CC1	ZINC000910888348	857844410	/nfs/dbraw/zinc/84/44/10/857844410.db2.gz	ZBUOFEJIERWETI-AWQBJMPUSA-N	1	0	355.482	1.213	20	30		FDEDRO
C[NH+]=C(NCCC1=CCCC1)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1	ZINC000156998353	862960887	/nfs/dbraw/zinc/96/08/87/862960887.db2.gz	CMPHKXZQHDDFID-KRWDZBQOSA-N	1	0	361.534	1.691	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]CC2)CC1	ZINC000911333361	858473811	/nfs/dbraw/zinc/47/38/11/858473811.db2.gz	RQIQVPNOANAPDZ-MRXNPFEDSA-N	1	0	351.491	1.324	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)CCCCC1	ZINC000911335854	858477514	/nfs/dbraw/zinc/47/75/14/858477514.db2.gz	BSLWHTFUKKNYQO-NEPJUHHUSA-N	1	0	360.380	1.315	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)c1	ZINC000911350946	858502424	/nfs/dbraw/zinc/50/24/24/858502424.db2.gz	MSNGYIXVTZTFPU-UHFFFAOYSA-N	1	0	366.396	1.276	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CCCC[C@H]2C2(C[NH3+])CCC2)cc1C#N	ZINC000911433055	858614597	/nfs/dbraw/zinc/61/45/97/858614597.db2.gz	BAWVSEZFPLDLAH-SFHVURJKSA-N	1	0	368.481	1.993	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)c3ncoc3C3CC[NH2+]CC3)CC2)c1	ZINC000911636449	858841972	/nfs/dbraw/zinc/84/19/72/858841972.db2.gz	PQQDSHIQBGDYEK-UHFFFAOYSA-N	1	0	366.425	1.371	20	30		FDEDRO
CC[NH+]1CCN(CCNC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)CC1	ZINC000509144945	881401260	/nfs/dbraw/zinc/40/12/60/881401260.db2.gz	WMVTVEUMIJGVNC-UHFFFAOYSA-N	1	0	366.469	1.420	20	30		FDEDRO
CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1	ZINC000912255966	859510320	/nfs/dbraw/zinc/51/03/20/859510320.db2.gz	QCWLKUNWTVKVQV-IBGZPJMESA-N	1	0	366.469	1.667	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)Nc1cccc(CN2CCCS2(=O)=O)c1	ZINC000912288416	859559568	/nfs/dbraw/zinc/55/95/68/859559568.db2.gz	GXFKZOVLMGBLAG-UHFFFAOYSA-N	1	0	351.472	1.669	20	30		FDEDRO
CC(C)(C)[NH+]=C(NCCN1CCCS1(=O)=O)NCc1cccs1	ZINC000912506221	859831661	/nfs/dbraw/zinc/83/16/61/859831661.db2.gz	LICFOIRWBUEBGF-UHFFFAOYSA-N	1	0	358.533	1.617	20	30		FDEDRO
COc1ccc(CCNC(NCCS(C)(=O)=O)=[NH+]C(C)(C)C)cc1	ZINC000912509484	859832791	/nfs/dbraw/zinc/83/27/91/859832791.db2.gz	HVVOQYWZSHGGLS-UHFFFAOYSA-N	1	0	355.504	1.616	20	30		FDEDRO
C[N@@H+]1CCC[C@](O)(CC(=O)N2CCC(Nc3ccccc3C#N)CC2)C1	ZINC000912534654	859871318	/nfs/dbraw/zinc/87/13/18/859871318.db2.gz	FYHUSQLBGRHICE-FQEVSTJZSA-N	1	0	356.470	1.808	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCO1	ZINC000668997075	860054750	/nfs/dbraw/zinc/05/47/50/860054750.db2.gz	WFYAFERLAZKPFS-WFASDCNBSA-N	1	0	355.360	1.815	20	30		FDEDRO
C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1cccc(C#CCO)c1	ZINC000912731300	860116024	/nfs/dbraw/zinc/11/60/24/860116024.db2.gz	RWMNEUYQCBLISZ-IBGZPJMESA-N	1	0	356.466	1.746	20	30		FDEDRO
CC(C)[NH+]1CCN(CCC(=O)N2CC(Nc3cccc(C#N)c3)C2)CC1	ZINC000912774232	860209868	/nfs/dbraw/zinc/20/98/68/860209868.db2.gz	QGBXGWROJLJWOA-UHFFFAOYSA-N	1	0	355.486	1.597	20	30		FDEDRO
COCCN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1CCOC1	ZINC000490083457	860833171	/nfs/dbraw/zinc/83/31/71/860833171.db2.gz	BZRGDEFGWRIWND-QGZVFWFLSA-N	1	0	369.425	1.420	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N[C@@H](C(=O)OCC)[C@H](O)c1ccc(Cl)cc1	ZINC000912948607	861107327	/nfs/dbraw/zinc/10/73/27/861107327.db2.gz	PTUSYIUWPVCSGR-HZPDHXFCSA-N	1	0	368.861	1.929	20	30		FDEDRO
CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2C#N)[C@H](C)C1	ZINC001105794276	863222517	/nfs/dbraw/zinc/22/25/17/863222517.db2.gz	YIBIWKCCBGPTQO-IIYDPXPESA-N	1	0	360.433	1.406	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCCC)C[C@H]1C	ZINC001105829931	863394070	/nfs/dbraw/zinc/39/40/70/863394070.db2.gz	GSDCBQDCRXYCNL-HUUCEWRRSA-N	1	0	352.479	1.263	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]CC(=O)NCC(C)(C)C	ZINC001105848273	863493958	/nfs/dbraw/zinc/49/39/58/863493958.db2.gz	SMSUGVTWEAZKCV-ZIAGYGMSSA-N	1	0	354.520	1.090	20	30		FDEDRO
CC(C)c1noc(C[NH2+]C[C@@H]2CN(C(=O)CSCC#N)C[C@H]2C)n1	ZINC001105849170	863497314	/nfs/dbraw/zinc/49/73/14/863497314.db2.gz	IWSLBDFLKDJUTK-CHWSQXEVSA-N	1	0	351.476	1.634	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCOCC(C)C)C[C@H]1C	ZINC001105866021	863539655	/nfs/dbraw/zinc/53/96/55/863539655.db2.gz	SCIJTYCXVRHEET-BRWVUGGUSA-N	1	0	353.507	1.424	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CCc2ccncn2)C[C@H]1C(F)(F)F	ZINC001112108990	863650517	/nfs/dbraw/zinc/65/05/17/863650517.db2.gz	TUSWLNQWGMZGJV-HUUCEWRRSA-N	1	0	370.375	1.038	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C2(COC)CCOCC2)C[C@H]1C(F)(F)F	ZINC001112112056	863849289	/nfs/dbraw/zinc/84/92/89/863849289.db2.gz	BRPLFIYFYLJZRY-ZIAGYGMSSA-N	1	0	364.408	1.985	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1	ZINC000761046313	863927952	/nfs/dbraw/zinc/92/79/52/863927952.db2.gz	DWNWPRBMBAMQTB-HNNXBMFYSA-N	1	0	374.416	1.753	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnc(C)s2)C[C@H]1C	ZINC001105911251	863932740	/nfs/dbraw/zinc/93/27/40/863932740.db2.gz	NWTMQFHSKKLNJQ-YRGRVCCFSA-N	1	0	350.488	1.440	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC001033194007	881727665	/nfs/dbraw/zinc/72/76/65/881727665.db2.gz	IUCVZBBIIMYWKN-MJBXVCDLSA-N	1	0	350.381	1.832	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCC[C@H]2CC)[C@H](C)C1	ZINC001105937781	864130254	/nfs/dbraw/zinc/13/02/54/864130254.db2.gz	FQCRUQHSIVPNBC-KZNAEPCWSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C2CCCCC2)[C@H](C)C1	ZINC001105938750	864133712	/nfs/dbraw/zinc/13/37/12/864133712.db2.gz	YCMNTELJOXGEJV-IAGOWNOFSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)COc2ccccc2)[C@H](C)C1	ZINC001105941866	864152170	/nfs/dbraw/zinc/15/21/70/864152170.db2.gz	NXERBYRWLFKLBX-KURKYZTESA-N	1	0	362.470	1.313	20	30		FDEDRO
CCC(=O)NCC(=O)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2C#N)[C@H](C)C1	ZINC001105945205	864181184	/nfs/dbraw/zinc/18/11/84/864181184.db2.gz	OSUCCRJBLDVKMS-CZUORRHYSA-N	1	0	360.433	1.408	20	30		FDEDRO
Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)no1	ZINC001105985203	864345997	/nfs/dbraw/zinc/34/59/97/864345997.db2.gz	DNRZUWWSFUYDOD-BXUZGUMPSA-N	1	0	370.413	1.119	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088862610	864844143	/nfs/dbraw/zinc/84/41/43/864844143.db2.gz	JIKHDKUBSPXBOF-ZSGPHXLJSA-N	1	0	354.454	1.539	20	30		FDEDRO
CCS(=O)(=O)CCC[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC001106028160	864866217	/nfs/dbraw/zinc/86/62/17/864866217.db2.gz	PSFUCMWHMGRWAP-UKRRQHHQSA-N	1	0	366.487	1.009	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccncc2Cl)[C@H](C)C1	ZINC001106029514	864883734	/nfs/dbraw/zinc/88/37/34/864883734.db2.gz	VPZLCMRKXLAVGA-UKRRQHHQSA-N	1	0	362.861	1.059	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]CCCCc2ccccc2)[C@H](C)C1	ZINC001106035178	864915089	/nfs/dbraw/zinc/91/50/89/864915089.db2.gz	OXUJSBIBZHLSTL-UYAOXDASSA-N	1	0	369.509	1.833	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1CN(Cc2ccc(C(=O)NC)cc2)C[C@H]1OC	ZINC001212187498	864940705	/nfs/dbraw/zinc/94/07/05/864940705.db2.gz	VYUWYQIRZCZOEQ-QZTJIDSGSA-N	1	0	357.454	1.165	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[C@@H](C)OC)C[C@H]1C	ZINC001106040935	864948965	/nfs/dbraw/zinc/94/89/65/864948965.db2.gz	ZLMYJTYFMGDNTE-KZNAEPCWSA-N	1	0	365.518	1.686	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)[C@H](C)C1	ZINC001106059170	865068958	/nfs/dbraw/zinc/06/89/58/865068958.db2.gz	ODVXZHAVBZCGCX-PJIJBLCYSA-N	1	0	363.506	1.613	20	30		FDEDRO
CC(C)C[NH+]1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1	ZINC000171023380	865077373	/nfs/dbraw/zinc/07/73/73/865077373.db2.gz	ZMQHFMWNOUVVIF-UHFFFAOYSA-N	1	0	369.469	1.554	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(CC)CC)[C@H](C)C1	ZINC001106064825	865103094	/nfs/dbraw/zinc/10/30/94/865103094.db2.gz	JTHWCCLTJQLPEQ-SPYBWZPUSA-N	1	0	353.507	1.302	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CC(F)F)[C@H](C)C1	ZINC001106068246	865144951	/nfs/dbraw/zinc/14/49/51/865144951.db2.gz	DDQGAYDVURJQBC-ZIAGYGMSSA-N	1	0	353.417	1.531	20	30		FDEDRO
C=CCN1CC[C@H](N2CC[C@H](NC(=O)c3cc(C4CC4)no3)[C@H]2C)C1=O	ZINC001088892399	865258751	/nfs/dbraw/zinc/25/87/51/865258751.db2.gz	XBQNCFHUGZHONT-INWMFGNUSA-N	1	0	358.442	1.532	20	30		FDEDRO
CCCN1C[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)CC1=O	ZINC001088890500	865268061	/nfs/dbraw/zinc/26/80/61/865268061.db2.gz	WODUPAGECJYBBS-MNEFBYGVSA-N	1	0	368.481	1.896	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](C[C@H](O)Cc3ccccc3)[C@@H]2C)nn1	ZINC001088907426	865373779	/nfs/dbraw/zinc/37/37/79/865373779.db2.gz	SHEMHVKRDOXZHD-NXHRZFHOSA-N	1	0	369.469	1.260	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1	ZINC000947340028	865455249	/nfs/dbraw/zinc/45/52/49/865455249.db2.gz	QYTBWWGAGBWPGK-KSZLIROESA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CC(C)(C)C2)C[C@H]1C	ZINC001106076120	865484942	/nfs/dbraw/zinc/48/49/42/865484942.db2.gz	SKDORILFRJEDEN-UKRRQHHQSA-N	1	0	364.490	1.119	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2Cc3c(cccc3C)O2)C[C@H]1C	ZINC001106883814	881895975	/nfs/dbraw/zinc/89/59/75/881895975.db2.gz	KHTARHVUOGYSSG-MDZRGWNJSA-N	1	0	371.481	1.285	20	30		FDEDRO
CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C	ZINC001088992203	865960988	/nfs/dbraw/zinc/96/09/88/865960988.db2.gz	PYUAZHIIEOGCJB-CCKFTAQKSA-N	1	0	354.454	1.648	20	30		FDEDRO
C=CCN1CC[C@H](N2CC[C@H](NC(=O)c3ccc(Cl)cn3)[C@H]2C)C1=O	ZINC001088993987	865962973	/nfs/dbraw/zinc/96/29/73/865962973.db2.gz	MKPSEUNOSUBUPG-INWMFGNUSA-N	1	0	362.861	1.715	20	30		FDEDRO
Cc1c(CONC(N)=C2C(=[NH2+])C3(CCCC3)N(C)C2=O)cccc1[N+](=O)[O-]	ZINC000063456230	865973683	/nfs/dbraw/zinc/97/36/83/865973683.db2.gz	LPNMAERDTJTKML-UHFFFAOYSA-N	1	0	373.413	1.690	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](CCN2CCCC2=O)[C@@H]1C	ZINC001089005355	866003386	/nfs/dbraw/zinc/00/33/86/866003386.db2.gz	FLBJGUANLIYJLI-APWZRJJASA-N	1	0	353.466	1.412	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCOC2CCCCCC2)C[C@H]1OC	ZINC001212193736	866017476	/nfs/dbraw/zinc/01/74/76/866017476.db2.gz	KATWDZQRSWKQBY-GGPKGHCWSA-N	1	0	368.518	1.868	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3ccccc3OC)[C@H]2C)C1=O	ZINC001089025166	866126077	/nfs/dbraw/zinc/12/60/77/866126077.db2.gz	QPXMIEUXQYTNIS-NJAFHUGGSA-N	1	0	371.481	1.604	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3nc(CC)no3)[C@@H]2C)CC1	ZINC001089059663	866386469	/nfs/dbraw/zinc/38/64/69/866386469.db2.gz	VOLSNDNNKHAHCC-ZBFHGGJFSA-N	1	0	359.474	1.056	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3ccn(C(C)C)n3)[C@@H]2C)CC1	ZINC001089060111	866390613	/nfs/dbraw/zinc/39/06/13/866390613.db2.gz	UKWAOHAYLGVRRP-XLIONFOSSA-N	1	0	371.529	1.888	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3ccc(C)s3)[C@H]2C)C1=O	ZINC001089059971	866390649	/nfs/dbraw/zinc/39/06/49/866390649.db2.gz	LKJLTIUHACLBGH-HYVNUMGLSA-N	1	0	361.511	1.965	20	30		FDEDRO
CCn1nc(C)c(C(=O)N[C@H]2CCN(Cc3ccccc3C#N)[C@@H]2C)n1	ZINC001089081865	866604942	/nfs/dbraw/zinc/60/49/42/866604942.db2.gz	WDQDZKPIJXDWGB-PBHICJAKSA-N	1	0	352.442	1.871	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)NCCCC[NH+]2CCC(C(N)=O)CC2)c1	ZINC000456002588	866616601	/nfs/dbraw/zinc/61/66/01/866616601.db2.gz	NESNUHXKMNHEBS-UHFFFAOYSA-N	1	0	357.458	1.966	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1	ZINC000456011743	866626344	/nfs/dbraw/zinc/62/63/44/866626344.db2.gz	VHDFNXILWGSIEN-UHFFFAOYSA-N	1	0	355.442	1.639	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)[C@H](OC)C2)CC1	ZINC000946775689	882069397	/nfs/dbraw/zinc/06/93/97/882069397.db2.gz	NRULPRSLLFXOFR-KBAYOESNSA-N	1	0	363.502	1.417	20	30		FDEDRO
CC(C)(C#N)c1ccc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)cc1	ZINC000535259739	867536746	/nfs/dbraw/zinc/53/67/46/867536746.db2.gz	DACXHSSSLUWOHA-UHFFFAOYSA-N	1	0	351.410	1.471	20	30		FDEDRO
C=CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000669814610	867676290	/nfs/dbraw/zinc/67/62/90/867676290.db2.gz	VDHAINQLVAUNOQ-MRXNPFEDSA-N	1	0	357.462	1.166	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC2CC(CNC(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000992141101	868006592	/nfs/dbraw/zinc/00/65/92/868006592.db2.gz	QUVQNZYPAICZGA-SJROMKODSA-N	1	0	357.498	1.389	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+][C@H](C(N)=O)c2ccc(F)cc2)[C@H](C)C1	ZINC001106099537	868053247	/nfs/dbraw/zinc/05/32/47/868053247.db2.gz	LSXIAYJPHQDTFJ-OGWOLHLISA-N	1	0	359.445	1.696	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COCC(F)(F)F)[C@H](C)C1	ZINC001106102013	868104397	/nfs/dbraw/zinc/10/43/97/868104397.db2.gz	MPUDLBWSZOQLEE-RBSFLKMASA-N	1	0	364.408	1.270	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)N2CCC(C)CC2)[C@H](C)C1	ZINC001106105579	868141440	/nfs/dbraw/zinc/14/14/40/868141440.db2.gz	YNEFWRYNGVZTFH-CEXWTWQISA-N	1	0	361.530	1.977	20	30		FDEDRO
CC#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001061622010	882159220	/nfs/dbraw/zinc/15/92/20/882159220.db2.gz	KHJAORYWSPGTTO-OKZBNKHCSA-N	1	0	363.502	1.254	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C[NH2+]CC(=O)N1CCC(C)CC1	ZINC001106106355	868176234	/nfs/dbraw/zinc/17/62/34/868176234.db2.gz	SVCHQIXMBHLJRT-QZTJIDSGSA-N	1	0	361.530	1.979	20	30		FDEDRO
CC(C)S(=O)(=O)CCC[NH2+]C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C	ZINC001106107867	868253147	/nfs/dbraw/zinc/25/31/47/868253147.db2.gz	LGPXDDSJTLWHGD-IAGOWNOFSA-N	1	0	370.559	1.933	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC(CNC(=O)C2CC[NH+](C)CC2)C1	ZINC000992205336	868329467	/nfs/dbraw/zinc/32/94/67/868329467.db2.gz	GWTUIJZBEJMKJQ-KXIUCKCTSA-N	1	0	363.502	1.320	20	30		FDEDRO
CC(C)(C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1O)[NH+]1CCCC1	ZINC001077505322	868364762	/nfs/dbraw/zinc/36/47/62/868364762.db2.gz	ZZAJKVDFXHWGON-HZPDHXFCSA-N	1	0	362.499	1.155	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2C(C)(C)C)[C@H](C)C1	ZINC001106111908	868394208	/nfs/dbraw/zinc/39/42/08/868394208.db2.gz	SDPBZOAYDJIDIE-BZUAXINKSA-N	1	0	361.490	1.256	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1	ZINC000994321022	882186082	/nfs/dbraw/zinc/18/60/82/882186082.db2.gz	WVCUYIZSTQGJKU-LZLYRXPVSA-N	1	0	370.497	1.775	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCO[C@H](C)CC(C)C)C[C@H]1C	ZINC001106113784	868470511	/nfs/dbraw/zinc/47/05/11/868470511.db2.gz	LNXGUHVNFHUGMJ-KZNAEPCWSA-N	1	0	365.518	1.261	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)[C@H](C)C1	ZINC001106114544	868496676	/nfs/dbraw/zinc/49/66/76/868496676.db2.gz	BMAHUIQJBXNKRX-BRWVUGGUSA-N	1	0	363.502	1.110	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1nccnc1C)CC2	ZINC000992239588	868548244	/nfs/dbraw/zinc/54/82/44/868548244.db2.gz	JVANRBFEZUIZFL-HYJFEMIMSA-N	1	0	356.470	1.989	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)Nc2ccccc2)[C@H](C)C1	ZINC001106117359	868594163	/nfs/dbraw/zinc/59/41/63/868594163.db2.gz	NUYWWTHWQROWPM-KZNAEPCWSA-N	1	0	371.481	1.738	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)c2ccccc2F)[C@H](C)C1	ZINC001106117444	868598266	/nfs/dbraw/zinc/59/82/66/868598266.db2.gz	PXJSINADTLGNNC-MDZRGWNJSA-N	1	0	362.445	1.583	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2nnc(C(C)C)s2)[C@H](C)C1	ZINC001106117646	868602374	/nfs/dbraw/zinc/60/23/74/868602374.db2.gz	XCMFYAZDFNKHPX-HUUCEWRRSA-N	1	0	364.515	1.886	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)c1	ZINC000463980365	868760696	/nfs/dbraw/zinc/76/06/96/868760696.db2.gz	YKKYLMGHXQDQLZ-GOSISDBHSA-N	1	0	364.405	1.702	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(c2ccc(C(F)(F)F)c(C#N)n2)CC1	ZINC000443513995	868807710	/nfs/dbraw/zinc/80/77/10/868807710.db2.gz	WPKGQAYNAWAQME-UHFFFAOYSA-N	1	0	369.391	1.962	20	30		FDEDRO
C=CCCOCCCCC(=O)N1C[C@@H](C[NH2+]Cc2nncn2C)[C@H](C)C1	ZINC001106122671	868872617	/nfs/dbraw/zinc/87/26/17/868872617.db2.gz	DYHNBDXHZNJWAZ-IAGOWNOFSA-N	1	0	363.506	1.762	20	30		FDEDRO
C=CCCOCCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1	ZINC001106123173	868884645	/nfs/dbraw/zinc/88/46/45/868884645.db2.gz	NOSXAZHWUCCAIW-IAGOWNOFSA-N	1	0	353.507	1.522	20	30		FDEDRO
C=CCCOCCCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC)[C@H](C)C1	ZINC001106124128	868909088	/nfs/dbraw/zinc/90/90/88/868909088.db2.gz	HNEXRZXAUJZAMB-BRWVUGGUSA-N	1	0	353.507	1.568	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cn(CCOC)nc2C)C[C@H]1C	ZINC001106127548	869014886	/nfs/dbraw/zinc/01/48/86/869014886.db2.gz	KWVDUAHCJDWEID-IUODEOHRSA-N	1	0	354.882	1.888	20	30		FDEDRO
C=C(C)C[C@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C(=O)OCC	ZINC000916734021	882356899	/nfs/dbraw/zinc/35/68/99/882356899.db2.gz	BYGBWLDGLJTJIL-INIZCTEOSA-N	1	0	360.458	1.461	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccnn2CC(F)F)C[C@H]1C	ZINC001106133167	869974846	/nfs/dbraw/zinc/97/48/46/869974846.db2.gz	HXKVOHIUAOJSHF-ZIAGYGMSSA-N	1	0	356.417	1.649	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2CC1	ZINC000946819194	882361374	/nfs/dbraw/zinc/36/13/74/882361374.db2.gz	WLFDJKVJFABUIO-ZMMAXQRCSA-N	1	0	363.502	1.226	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCC#Cc1ccccc1)C2	ZINC000913984397	870223143	/nfs/dbraw/zinc/22/31/43/870223143.db2.gz	SBYSAYZQQUPBLS-XCJLJZCSSA-N	1	0	355.482	1.817	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCCNC(=O)N2C[C@@H](C)N(CC#N)[C@@H](C)C2)C[C@H](C)O1	ZINC000913988206	870240261	/nfs/dbraw/zinc/24/02/61/870240261.db2.gz	GYBHCFWPQBWYJP-WNKDZCFJSA-N	1	0	351.495	1.113	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)N1CC#N	ZINC000914025250	870400125	/nfs/dbraw/zinc/40/01/25/870400125.db2.gz	ZAAWYNAKSOWIFZ-CALCHBBNSA-N	1	0	373.501	1.755	20	30		FDEDRO
CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)Cc1csc(C#N)c1	ZINC000914129117	870964831	/nfs/dbraw/zinc/96/48/31/870964831.db2.gz	IJIWSWQFFMRIAI-UHFFFAOYSA-N	1	0	356.517	1.019	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNc2ncc(C#N)cc2Cl)CC[N@@H+]1C	ZINC001106141614	871133364	/nfs/dbraw/zinc/13/33/64/871133364.db2.gz	FLZHDDRGNGBQBW-KCQAQPDRSA-N	1	0	365.865	1.226	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C2=COCCO2)[C@@H](n2ccnn2)C1	ZINC001128646931	882494132	/nfs/dbraw/zinc/49/41/32/882494132.db2.gz	KXNQZXGHWLTUCT-CVEARBPZSA-N	1	0	361.446	1.254	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C1	ZINC001106146961	871401597	/nfs/dbraw/zinc/40/15/97/871401597.db2.gz	PAUYGHHKEBOKSO-VQHPVUNQSA-N	1	0	372.531	1.086	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(F)cc2F)C[C@H]1C	ZINC001106155389	871450592	/nfs/dbraw/zinc/45/05/92/871450592.db2.gz	VKYGZGYVOZRTSY-UKRRQHHQSA-N	1	0	365.424	1.494	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H](C[NH2+]C[C@H](O)COCCOC)[C@H](C)C1	ZINC001106175759	871580242	/nfs/dbraw/zinc/58/02/42/871580242.db2.gz	SPRVJTYJRXMGIO-QRQLOZEOSA-N	1	0	368.518	1.463	20	30		FDEDRO
COCC#CCN1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H](OC)C1	ZINC001212495889	872518923	/nfs/dbraw/zinc/51/89/23/872518923.db2.gz	SJUBFAXQZVHSAF-QZTJIDSGSA-N	1	0	365.518	1.105	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2)C1	ZINC001033498228	882628809	/nfs/dbraw/zinc/62/88/09/882628809.db2.gz	VJNOYOBUYHBKIK-FHWLQOOXSA-N	1	0	371.481	1.799	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NS(=O)(=O)Cc2c(C)cc(C#N)cc2C)C1	ZINC000914407405	872755371	/nfs/dbraw/zinc/75/53/71/872755371.db2.gz	JUSUVABDEQDQOF-INIZCTEOSA-N	1	0	351.472	1.315	20	30		FDEDRO
C=C(Br)CNC(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O	ZINC000914418460	872794459	/nfs/dbraw/zinc/79/44/59/872794459.db2.gz	LHPZAUGDPYTMKP-BHPKHCPMSA-N	1	0	360.296	1.674	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnc(C3CC3)[nH]c1=O)C2	ZINC001112541820	873059064	/nfs/dbraw/zinc/05/90/64/873059064.db2.gz	RBTICKRJWOEZGY-YWZLYKJASA-N	1	0	354.454	1.915	20	30		FDEDRO
C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1CN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2	ZINC000992890579	873067019	/nfs/dbraw/zinc/06/70/19/873067019.db2.gz	OBLWCKQDDYAHST-WAOWUJCRSA-N	1	0	355.482	1.049	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc3c(n2)OCCO3)[C@H](OC)C1	ZINC001212510135	873098307	/nfs/dbraw/zinc/09/83/07/873098307.db2.gz	WZACKQZSPFYJFC-YSVLISHTSA-N	1	0	361.442	1.637	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1	ZINC000992893995	873101500	/nfs/dbraw/zinc/10/15/00/873101500.db2.gz	ANZWKPTZNCLDAL-WAOWUJCRSA-N	1	0	357.498	1.580	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2cn3cccnc3n2)[C@H](OC)C1	ZINC001212509637	873108333	/nfs/dbraw/zinc/10/83/33/873108333.db2.gz	HINCFCCBHCZTKB-NVXWUHKLSA-N	1	0	357.458	1.905	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](C)C(C)C)CC1	ZINC001003364946	873181781	/nfs/dbraw/zinc/18/17/81/873181781.db2.gz	FKPMQULPMLMAGZ-AITUJVMLSA-N	1	0	359.514	1.872	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(C#N)c[nH]1	ZINC001003372288	873239325	/nfs/dbraw/zinc/23/93/25/873239325.db2.gz	SCAXKACRGXYWDD-LMSBXDPUSA-N	1	0	369.469	1.622	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+]CC[C@H]2CCS(=O)(=O)C2)[C@H](C)C1	ZINC001106193874	873276084	/nfs/dbraw/zinc/27/60/84/873276084.db2.gz	WUHWXSXHGDEPNR-IXDOHACOSA-N	1	0	356.532	1.852	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CC)[C@H](C)C1)OCC	ZINC001106197175	873470747	/nfs/dbraw/zinc/47/07/47/873470747.db2.gz	KBUZKZYKXNFLRA-ZACQAIPSSA-N	1	0	363.506	1.853	20	30		FDEDRO
C#Cc1ccc(C(=O)NCC2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cc1	ZINC001003535967	873675012	/nfs/dbraw/zinc/67/50/12/873675012.db2.gz	JNDQIDVXXZTTJH-RBUKOAKNSA-N	1	0	353.466	1.586	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)C4=CCCC4)C[C@@]3(C)C2)CC1	ZINC000993019312	873707537	/nfs/dbraw/zinc/70/75/37/873707537.db2.gz	JPJRLTNVPAYHFN-KNQAVFIVSA-N	1	0	369.509	1.749	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](N(C)c3cncc(C#N)n3)C2)CC[N@@H+]1C	ZINC001061281072	873728604	/nfs/dbraw/zinc/72/86/04/873728604.db2.gz	NHBNADOLNZPOMW-IXDOHACOSA-N	1	0	356.474	1.506	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H]3CN(C(=O)[C@@H](C4CC4)[NH+](C)C)C[C@]3(C)C2)C1	ZINC000993024160	873732250	/nfs/dbraw/zinc/73/22/50/873732250.db2.gz	KDAQVFUUWGANFK-CSODHUTKSA-N	1	0	359.514	1.990	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)OCC[NH+]2CCCCC2)ccc1F	ZINC000914459098	873931074	/nfs/dbraw/zinc/93/10/74/873931074.db2.gz	CDNOUDHRXCABOS-UHFFFAOYSA-N	1	0	370.446	1.933	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c(C)[nH]nc2Cl)C[C@H]1C	ZINC001106225730	873971069	/nfs/dbraw/zinc/97/10/69/873971069.db2.gz	DUGJBDFRLQQNOG-RAIGVLPGSA-N	1	0	367.881	1.360	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(C)n2C)[C@@H](n2ccnn2)C1	ZINC001128694828	882780479	/nfs/dbraw/zinc/78/04/79/882780479.db2.gz	QWPMYYWQMODMAE-NUJGCVRESA-N	1	0	356.474	1.935	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3cc(C)on3)[C@H](C)C2)CCOCC1	ZINC001106232950	874038414	/nfs/dbraw/zinc/03/84/14/874038414.db2.gz	RAMDMWRGGASSGU-NVXWUHKLSA-N	1	0	359.470	1.987	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106256064	874174132	/nfs/dbraw/zinc/17/41/32/874174132.db2.gz	WJCLZODTGPXHMN-SJLPKXTDSA-N	1	0	364.449	1.625	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C[C@H]1C	ZINC001106266566	874262121	/nfs/dbraw/zinc/26/21/21/874262121.db2.gz	QVYDMWRORVBURK-RWQQGDIJSA-N	1	0	358.486	1.595	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106270467	874304187	/nfs/dbraw/zinc/30/41/87/874304187.db2.gz	MABXRDKRSYZVCX-HNAWSFBYSA-N	1	0	374.456	1.665	20	30		FDEDRO
C[C@H]1CC(N=Nc2ccc(S(=O)(=O)NC3CCCC3)cn2)C[N@@H+]1C	ZINC000761806066	874498005	/nfs/dbraw/zinc/49/80/05/874498005.db2.gz	QXNYMGDYNOOQCN-LBPRGKRZSA-N	1	0	351.476	1.794	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cn(CC(F)F)nc2C)C[C@H]1C	ZINC001106288486	874515349	/nfs/dbraw/zinc/51/53/49/874515349.db2.gz	KDVHIZDWPPFXSY-UKRRQHHQSA-N	1	0	368.428	1.404	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC2(F)F)C[C@H]1C	ZINC001106301560	874614287	/nfs/dbraw/zinc/61/42/87/874614287.db2.gz	SIKOAVXKUJWWLJ-OAGGEKHMSA-N	1	0	369.456	1.916	20	30		FDEDRO
COC(=O)CCC[NH+]1CCC(N=Nc2ccc(-n3ccnc3)nn2)CC1	ZINC000761835031	874616018	/nfs/dbraw/zinc/61/60/18/874616018.db2.gz	JUDVUOGSYWMZFM-UHFFFAOYSA-N	1	0	357.418	1.479	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2cn3ccccc3n2)C[C@H]1C	ZINC001106325633	874784789	/nfs/dbraw/zinc/78/47/89/874784789.db2.gz	HBFBZZSTPZTYOC-IAGOWNOFSA-N	1	0	356.470	1.764	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001106327890	874791840	/nfs/dbraw/zinc/79/18/40/874791840.db2.gz	ZNEJHRADLROBCE-RHSMWYFYSA-N	1	0	363.483	1.177	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC)[C@H](C)C1	ZINC001106331338	874804922	/nfs/dbraw/zinc/80/49/22/874804922.db2.gz	VRIKUAWRCDNTMR-HZPDHXFCSA-N	1	0	359.470	1.685	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2c(C)nc3ccnn3c2C)C[C@H]1C	ZINC001106346753	874862555	/nfs/dbraw/zinc/86/25/55/874862555.db2.gz	RPCSOTRNEZFWAN-RHSMWYFYSA-N	1	0	369.469	1.294	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ncccc2CC)C[C@H]1C	ZINC001106350718	874870050	/nfs/dbraw/zinc/87/00/50/874870050.db2.gz	QSYMCFUIABOAQI-HLLBOEOZSA-N	1	0	356.470	1.080	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cncc3[nH]ccc32)C[C@H]1C	ZINC001106376493	874971420	/nfs/dbraw/zinc/97/14/20/874971420.db2.gz	AQJDQASYKWCNTJ-QLFBSQMISA-N	1	0	369.469	1.551	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(C)cc2)C[C@H]1C	ZINC001106390880	875053204	/nfs/dbraw/zinc/05/32/04/875053204.db2.gz	IZYDKKWUABSIKM-ZIFCJYIRSA-N	1	0	357.498	1.912	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccnc3ccccc32)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106390891	875053536	/nfs/dbraw/zinc/05/35/36/875053536.db2.gz	JRTNWQHUPXFBJQ-HUUCEWRRSA-N	1	0	365.437	1.172	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)ccc2OC)C[C@H]1C	ZINC001106392471	875059664	/nfs/dbraw/zinc/05/96/64/875059664.db2.gz	RLPWNBUNELXSEE-BRWVUGGUSA-N	1	0	371.481	1.439	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c(C)oc(C)c2C)C[C@H]1C	ZINC001106397093	875071719	/nfs/dbraw/zinc/07/17/19/875071719.db2.gz	FKJKPPCMVFOZRI-SUYBPPKGSA-N	1	0	359.470	1.640	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(Cl)cn2C)C[C@H]1C	ZINC001106399477	875089963	/nfs/dbraw/zinc/08/99/63/875089963.db2.gz	AIFTWGILVMIVDC-CHWSQXEVSA-N	1	0	352.866	1.278	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2cccc(OC)c2)C[C@H]1C	ZINC001106415851	875182941	/nfs/dbraw/zinc/18/29/41/875182941.db2.gz	RLRZFMRIPSKICW-SJLPKXTDSA-N	1	0	371.481	1.061	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(C)c(C)n2)C[C@H]1C	ZINC001106433869	875297745	/nfs/dbraw/zinc/29/77/45/875297745.db2.gz	UKDKUXYQZSLBGE-HYVNUMGLSA-N	1	0	358.486	1.687	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2CCC3(CC3)CC2)C[C@H]1C	ZINC001106441306	875312533	/nfs/dbraw/zinc/31/25/33/875312533.db2.gz	XXZNKACNXQIIMB-JFIYKMOQSA-N	1	0	359.514	1.779	20	30		FDEDRO
CN(C)C(=O)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001112542506	882926258	/nfs/dbraw/zinc/92/62/58/882926258.db2.gz	BFIUDXXNGUDPCL-RXVVDRJESA-N	1	0	368.481	1.755	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000994477365	882933232	/nfs/dbraw/zinc/93/32/32/882933232.db2.gz	KJRGRQDXXHQJKZ-YQFWSFKMSA-N	1	0	371.485	1.441	20	30		FDEDRO
Cc1ccc(C2CC2)c(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)c1	ZINC001106467091	875521432	/nfs/dbraw/zinc/52/14/32/875521432.db2.gz	DJVDGMKCTQFPOR-NVXWUHKLSA-N	1	0	368.481	1.810	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCCC2(F)F)C[C@H]1C	ZINC001106473381	875537178	/nfs/dbraw/zinc/53/71/78/875537178.db2.gz	IVMNBYJIVBKAIP-RBSFLKMASA-N	1	0	357.445	1.798	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCCC2(F)F)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106473565	875539294	/nfs/dbraw/zinc/53/92/94/875539294.db2.gz	RSVQIRRQXNLWMP-MGPQQGTHSA-N	1	0	356.417	1.136	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2COCCN2CC2CCC2)C[C@H]1C	ZINC001106474454	875573344	/nfs/dbraw/zinc/57/33/44/875573344.db2.gz	MYDGUAYBEPCGDW-ZTFGCOKTSA-N	1	0	369.937	1.924	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]CCN2CCCC2=O)[C@H](C)C1	ZINC001106486376	875641239	/nfs/dbraw/zinc/64/12/39/875641239.db2.gz	QNBWFFCCSMVUFQ-MBOZVWFJSA-N	1	0	365.518	1.522	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]Cc2nncs2)[C@H](C)C1	ZINC001106486512	875642555	/nfs/dbraw/zinc/64/25/55/875642555.db2.gz	VXHBUKJSHYTESB-CPUCHLNUSA-N	1	0	352.504	1.951	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)C3CC3)[C@H](C)C2)cc1	ZINC001106511331	875779090	/nfs/dbraw/zinc/77/90/90/875779090.db2.gz	FROLTQDLDAJZSG-CRAIPNDOSA-N	1	0	353.466	1.586	20	30		FDEDRO
COc1ccc(OC)c([C@H](O)C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)c1	ZINC000915223503	875783099	/nfs/dbraw/zinc/78/30/99/875783099.db2.gz	NSHGXJMHNVEVNM-HNAYVOBHSA-N	1	0	372.421	1.638	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N[C@@H](C)C3CC3)[C@H](C)C2)cc1	ZINC001106512264	875800048	/nfs/dbraw/zinc/80/00/48/875800048.db2.gz	IJUKJUIYZWHSFP-GQIGUUNPSA-N	1	0	367.493	1.880	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)NCC=C)[C@H](C)C2)cc1	ZINC001106512905	875801165	/nfs/dbraw/zinc/80/11/65/875801165.db2.gz	XPOXXKORKSOXMA-JTDSTZFVSA-N	1	0	353.466	1.656	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cc(C)nn2C)[C@H](C)C1	ZINC001106530831	875863973	/nfs/dbraw/zinc/86/39/73/875863973.db2.gz	OMXVVNNTIDIJJY-UKRRQHHQSA-N	1	0	361.490	1.563	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](F)C(C)C)C[C@H]1C	ZINC001106548557	875936218	/nfs/dbraw/zinc/93/62/18/875936218.db2.gz	FRLUXVLQGWTKPW-INMHGKMJSA-N	1	0	354.470	1.427	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC2(C)C)C[C@H]1C	ZINC001106554795	875942210	/nfs/dbraw/zinc/94/22/10/875942210.db2.gz	QRCQYOITPXXYLW-RBSFLKMASA-N	1	0	364.490	1.119	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cnccn2)[C@H](C)C1	ZINC001106564112	875964579	/nfs/dbraw/zinc/96/45/79/875964579.db2.gz	SUGOIPRYXYEEPP-ARFHVFGLSA-N	1	0	359.474	1.702	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NCC)[C@H](C)C1	ZINC001106606133	876166647	/nfs/dbraw/zinc/16/66/47/876166647.db2.gz	BEAYBWLLYPRGKF-QLFBSQMISA-N	1	0	352.479	1.261	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1	ZINC001106609119	876178146	/nfs/dbraw/zinc/17/81/46/876178146.db2.gz	NLCLTNSFWSCIIH-TZMCWYRMSA-N	1	0	367.371	1.226	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)[C@H](C)C1	ZINC001106611815	876195841	/nfs/dbraw/zinc/19/58/41/876195841.db2.gz	FBSCCIRHNUUMQI-IXDOHACOSA-N	1	0	356.532	1.852	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2conc2C)C[C@H]1C	ZINC001106615506	876217038	/nfs/dbraw/zinc/21/70/38/876217038.db2.gz	YFOYAJMYYLNQRH-GDBMZVCRSA-N	1	0	362.474	1.705	20	30		FDEDRO
COC[C@@H](OC)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)[C@H](C)C1	ZINC001106644487	876352817	/nfs/dbraw/zinc/35/28/17/876352817.db2.gz	VZPJKAMFWCKKFW-MZMPZRCHSA-N	1	0	363.433	1.543	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCO[C@@H](C)C3)[C@H](C)C2)C1	ZINC001106648391	876366643	/nfs/dbraw/zinc/36/66/43/876366643.db2.gz	CRXIEVJVQLFYIV-IXDOHACOSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(=O)NCCC)[C@H](C)C2)C1	ZINC001106647578	876382119	/nfs/dbraw/zinc/38/21/19/876382119.db2.gz	RMSUSKUSGGTFCH-HUUCEWRRSA-N	1	0	364.490	1.263	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106661121	876461880	/nfs/dbraw/zinc/46/18/80/876461880.db2.gz	JXTNEJRHOATYMO-CEQIKUNHSA-N	1	0	371.456	1.388	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106661122	876461978	/nfs/dbraw/zinc/46/19/78/876461978.db2.gz	JXTNEJRHOATYMO-QLVMHMETSA-N	1	0	371.456	1.388	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCc3ccccc3C2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106700956	876610151	/nfs/dbraw/zinc/61/01/51/876610151.db2.gz	VLYUAQOXEPZVQX-AYOQOUSVSA-N	1	0	368.481	1.115	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(OCC)c2)C[C@H]1C	ZINC001106701869	876618782	/nfs/dbraw/zinc/61/87/82/876618782.db2.gz	KEEKBXBRSSTZKH-NVXWUHKLSA-N	1	0	357.454	1.132	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NCCCOC)[C@H](C)C1	ZINC001106705543	876884595	/nfs/dbraw/zinc/88/45/95/876884595.db2.gz	IFMDUMGNVQIUNW-BRWVUGGUSA-N	1	0	367.534	1.814	20	30		FDEDRO
CC[C@@H](Cc1ccccc1)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106717541	876939904	/nfs/dbraw/zinc/93/99/04/876939904.db2.gz	FKYGOCCSEZCKHT-NZSAHSFTSA-N	1	0	370.497	1.579	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCC2CCOCC2)C[C@H]1C	ZINC001106727698	876999458	/nfs/dbraw/zinc/99/94/58/876999458.db2.gz	QTXLMXMJWGBUHX-SOLBZPMBSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2sc(C)cc2OC)C[C@H]1C	ZINC001106728913	877070352	/nfs/dbraw/zinc/07/03/52/877070352.db2.gz	XUGYKQRQTIHXCI-TZMCWYRMSA-N	1	0	365.499	1.665	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2csc(Cl)c2)C[C@H]1C	ZINC001106731039	877234384	/nfs/dbraw/zinc/23/43/84/877234384.db2.gz	COUZUCKUIGNFFH-YRGRVCCFSA-N	1	0	367.902	1.837	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]CCCOCC)[C@H](C)C1	ZINC001106734025	877287408	/nfs/dbraw/zinc/28/74/08/877287408.db2.gz	MRISQADCOJJNTF-NXHRZFHOSA-N	1	0	353.507	1.568	20	30		FDEDRO
C=C(Br)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1	ZINC000999188368	912224929	/nfs/dbraw/zinc/22/49/29/912224929.db2.gz	ZLBQIPPWMWZSFO-KGYLQXTDSA-N	1	0	358.280	1.390	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@H]2CCN(c3ccccc3OC)C2)CC1	ZINC000915789202	877374484	/nfs/dbraw/zinc/37/44/84/877374484.db2.gz	QUEZLJYUUOZVOX-QGZVFWFLSA-N	1	0	370.497	1.918	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2scnc2C2CC2)C[C@H]1C	ZINC001106745696	877459167	/nfs/dbraw/zinc/45/91/67/877459167.db2.gz	RWTBXKTUGVTMPQ-TZMCWYRMSA-N	1	0	362.499	1.620	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCn2cncn2)[C@H](C)C1	ZINC001106748681	877465245	/nfs/dbraw/zinc/46/52/45/877465245.db2.gz	KIRQPNQYMAPSMI-BDXSIMOUSA-N	1	0	361.490	1.334	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2c(C)nnn2CC)C1	ZINC000999191661	912246873	/nfs/dbraw/zinc/24/68/73/912246873.db2.gz	BTYNKRBBQACRAW-NUJGCVRESA-N	1	0	361.490	1.668	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCn2c(C)csc2=O)C[C@H]1C(F)(F)F	ZINC001099264123	877578601	/nfs/dbraw/zinc/57/86/01/877578601.db2.gz	GGMBVEPKSLUVPQ-VXGBXAGGSA-N	1	0	361.389	1.220	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)nc(C)n2)C[C@H]1C	ZINC001106760072	877607063	/nfs/dbraw/zinc/60/70/63/877607063.db2.gz	NWQTUVDDGKREJY-IVMMDQJWSA-N	1	0	359.474	1.082	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)C1CC[NH+](C)CC1	ZINC000922329045	877649812	/nfs/dbraw/zinc/64/98/12/877649812.db2.gz	PXCMJHVCKYSKJQ-MSOLQXFVSA-N	1	0	374.529	1.907	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)c2c(C)n[nH]c2C)C[C@H]1C	ZINC001106771902	877714142	/nfs/dbraw/zinc/71/41/42/877714142.db2.gz	DXKMYQXXSHAAJH-XJKCOSOUSA-N	1	0	361.490	1.116	20	30		FDEDRO
Cc1onc(CC(=O)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)c1C#N	ZINC000499776946	877778289	/nfs/dbraw/zinc/77/82/89/877778289.db2.gz	FCSXZZYAOWIOGK-QGZVFWFLSA-N	1	0	367.409	1.486	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CNC(=O)C2CCOCC2)C[C@H]1C	ZINC001106778352	877787194	/nfs/dbraw/zinc/78/71/94/877787194.db2.gz	HVYIBRWRRRYBNP-NVXWUHKLSA-N	1	0	351.491	1.180	20	30		FDEDRO
N#C[C@@]1(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC2CCC1CC2	ZINC000922350665	877834271	/nfs/dbraw/zinc/83/42/71/877834271.db2.gz	IVHPDDHLPFANRD-BRAJZSMUSA-N	1	0	374.529	1.619	20	30		FDEDRO
COC(=O)C1=C(C)O[C@@H](CN2CCN(c3nccnc3C#N)C[C@@H]2C)C1	ZINC000272561423	877916667	/nfs/dbraw/zinc/91/66/67/877916667.db2.gz	PTUXBHZWVIFHMW-GXTWGEPZSA-N	1	0	357.414	1.095	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc3nccnc32)C[C@H]1C	ZINC001106796674	877980224	/nfs/dbraw/zinc/98/02/24/877980224.db2.gz	WUJBJYGWDQTLPC-HZPDHXFCSA-N	1	0	352.438	1.577	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC2CCC(N(C)C(=O)c3c[nH]c(C#N)c3)CC2)CC[N@@H+]1C	ZINC001004076208	877980479	/nfs/dbraw/zinc/98/04/79/877980479.db2.gz	FSHLTKAFMATPRF-WGDNJCCTSA-N	1	0	371.485	1.726	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnn(C(F)F)c2)C[C@H]1C	ZINC001106802277	878032106	/nfs/dbraw/zinc/03/21/06/878032106.db2.gz	YEXKBLVRKBLADE-FRRDWIJNSA-N	1	0	369.416	1.267	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2coc(CC3CC3)n2)C[C@H]1C	ZINC001106815320	878231643	/nfs/dbraw/zinc/23/16/43/878231643.db2.gz	WPUPGVIKOWZDAE-UKRRQHHQSA-N	1	0	360.458	1.227	20	30		FDEDRO
C=CCN(CCC#N)[C@@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1	ZINC000428856807	878238848	/nfs/dbraw/zinc/23/88/48/878238848.db2.gz	PCIZMYIBOJTWAA-SFHVURJKSA-N	1	0	370.497	1.925	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCCOC2)C[C@H]1C	ZINC001106816051	878243643	/nfs/dbraw/zinc/24/36/43/878243643.db2.gz	VTNWEUZPSQCPLU-BRWVUGGUSA-N	1	0	351.491	1.180	20	30		FDEDRO
C=CCOc1c(Cl)cc(C[NH2+]C[C@@]2(CO)COCCN2C)cc1OC	ZINC000922534787	878474587	/nfs/dbraw/zinc/47/45/87/878474587.db2.gz	VCYODEXIFHOSEU-GOSISDBHSA-N	1	0	370.877	1.696	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C(C)C)oc2C)C[C@H]1C	ZINC001106825419	878637913	/nfs/dbraw/zinc/63/79/13/878637913.db2.gz	QDAYHJAEOCXIPB-GDBMZVCRSA-N	1	0	359.470	1.759	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1	ZINC000673595071	878792071	/nfs/dbraw/zinc/79/20/71/878792071.db2.gz	LAGFUQCTNRFKSU-GOSISDBHSA-N	1	0	359.470	1.428	20	30		FDEDRO
CO[C@]1(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CCS(=O)(=O)C1	ZINC000922619690	878834039	/nfs/dbraw/zinc/83/40/39/878834039.db2.gz	TXXBPTLBISIFKP-SFHVURJKSA-N	1	0	374.466	1.252	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC(=O)Nc4ccccc43)[C@H]2C1	ZINC001083157906	912389538	/nfs/dbraw/zinc/38/95/38/912389538.db2.gz	WJYWMQKMDKHOIK-BPQIPLTHSA-N	1	0	353.422	1.047	20	30		FDEDRO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2CC1	ZINC000946589150	878838896	/nfs/dbraw/zinc/83/88/96/878838896.db2.gz	IQJQVNQMVZDJRC-IYWMVGAKSA-N	1	0	367.449	1.874	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCO[C@H]2C=C)CC2(CCOCC2)C1	ZINC001089940973	912391090	/nfs/dbraw/zinc/39/10/90/912391090.db2.gz	CJSNCSQRZFKZAP-OTWHNJEPSA-N	1	0	360.498	1.978	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]2CC1	ZINC000946595440	879067296	/nfs/dbraw/zinc/06/72/96/879067296.db2.gz	ZNBZGPNZKGSUFG-ILOCAZANSA-N	1	0	361.486	1.027	20	30		FDEDRO
C=CCn1cccc1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2	ZINC001004361822	879230533	/nfs/dbraw/zinc/23/05/33/879230533.db2.gz	RTWTZSWYFSIFNO-MLHJIOFPSA-N	1	0	370.497	1.878	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)[C@H](C)C1)[NH+](C)C	ZINC000993864007	879807205	/nfs/dbraw/zinc/80/72/05/879807205.db2.gz	HTLKIUXDPVVPDX-UNEWFSDZSA-N	1	0	359.474	1.297	20	30		FDEDRO
N#Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccn4c[nH+]cc4c2)C3)c[nH]1	ZINC001004561679	879870039	/nfs/dbraw/zinc/87/00/39/879870039.db2.gz	POYXPRWBYLEPPW-NXHRZFHOSA-N	1	0	374.404	1.710	20	30		FDEDRO
C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCO[C@H]3c3cnn(C)c3)CC[C@@H]2C1	ZINC000946628193	879870609	/nfs/dbraw/zinc/87/06/09/879870609.db2.gz	LBKKSJGDWZWWPD-BWPNAZKDSA-N	1	0	370.497	1.691	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)COC)C1	ZINC001111657140	879947207	/nfs/dbraw/zinc/94/72/07/879947207.db2.gz	FLVIBPGBPZRZDL-ZWOKBUDYSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3c(C)cc(C)cc3C)C[C@@H]2O)nn1	ZINC001083843691	879963029	/nfs/dbraw/zinc/96/30/29/879963029.db2.gz	UJCANRVLMXXORT-MJGOQNOKSA-N	1	0	369.469	1.364	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC000993910138	880116798	/nfs/dbraw/zinc/11/67/98/880116798.db2.gz	YPNIUORSZUVZRS-UKRRQHHQSA-N	1	0	357.458	1.052	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC000993919866	880152869	/nfs/dbraw/zinc/15/28/69/880152869.db2.gz	ZRIVOJWIUNPZSA-UKRRQHHQSA-N	1	0	357.458	1.195	20	30		FDEDRO
C[NH+](C)[C@H]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000272710353	880460756	/nfs/dbraw/zinc/46/07/56/880460756.db2.gz	CMHZOVRAXSRJDY-ZWKOTPCHSA-N	1	0	369.469	1.789	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)[C@@H]3CC3(F)F)C[C@H]2C)CC1	ZINC000994136524	880896141	/nfs/dbraw/zinc/89/61/41/880896141.db2.gz	MGWPEWRTDANALU-BMFZPTHFSA-N	1	0	367.440	1.198	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCOC[C@@H]2[C@H]2CC[C@@H](COC)O2)CC1	ZINC000917141933	883130106	/nfs/dbraw/zinc/13/01/06/883130106.db2.gz	LDZGYMLPCMCOHK-RCCFBDPRSA-N	1	0	367.490	1.241	20	30		FDEDRO
COC(=O)[C@@H]1CC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1	ZINC000917158830	883149131	/nfs/dbraw/zinc/14/91/31/883149131.db2.gz	XIGQCIANXSWWIR-TZMCWYRMSA-N	1	0	350.378	1.719	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)COC2CCCC2)[C@@H](n2ccnn2)C1	ZINC001128763597	883330210	/nfs/dbraw/zinc/33/02/10/883330210.db2.gz	KLULMOVKNYAQIX-JQHSSLGASA-N	1	0	361.490	1.934	20	30		FDEDRO
C=C(Br)C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC000999419144	912707313	/nfs/dbraw/zinc/70/73/13/912707313.db2.gz	ZCHQVOKWMPCZML-IALDZJHCSA-N	1	0	358.280	1.376	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](CCCN2CCCC2=O)C1	ZINC001033960709	883565526	/nfs/dbraw/zinc/56/55/26/883565526.db2.gz	GMBKNDWMOIXNJR-KURKYZTESA-N	1	0	363.502	1.513	20	30		FDEDRO
CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)C1CC([NH2+]Cc2ccccc2C#N)C1	ZINC000999415473	912735083	/nfs/dbraw/zinc/73/50/83/912735083.db2.gz	QNHYMRWOKJSMNB-LHVTWPBJSA-N	1	0	354.454	1.539	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2)C[C@@H]1n1ccnn1	ZINC001128821705	883724622	/nfs/dbraw/zinc/72/46/22/883724622.db2.gz	YQSPHKPNWQKQDP-MSOLQXFVSA-N	1	0	355.442	1.665	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@@H]1n1ccnn1	ZINC001128816216	883730374	/nfs/dbraw/zinc/73/03/74/883730374.db2.gz	DMOVLGWYFCFRGS-SQNIBIBYSA-N	1	0	361.490	1.527	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2cn(C)nc2C)[C@@H](n2ccnn2)C1	ZINC001128838874	883816828	/nfs/dbraw/zinc/81/68/28/883816828.db2.gz	QLXXBEQOWHRHCH-MSOLQXFVSA-N	1	0	371.489	1.722	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]CCn2c(C)csc2=O)C1	ZINC000999432145	912761279	/nfs/dbraw/zinc/76/12/79/912761279.db2.gz	UKFPEIZCJJHAMJ-FJBKBRRZSA-N	1	0	365.499	1.388	20	30		FDEDRO
CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1	ZINC001034246398	883999971	/nfs/dbraw/zinc/99/99/71/883999971.db2.gz	FVVOUCDPHYEWAR-ZHALLVOQSA-N	1	0	358.486	1.975	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]CC[C@@H]2CCOC2)[C@H](C)C1	ZINC001106890792	884123681	/nfs/dbraw/zinc/12/36/81/884123681.db2.gz	GVCHPZKKILXVNR-KZNAEPCWSA-N	1	0	371.481	1.818	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001061757894	884460032	/nfs/dbraw/zinc/46/00/32/884460032.db2.gz	QJZQMXWYNGDQRS-IIAWOOMASA-N	1	0	356.474	1.193	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001128976389	884547549	/nfs/dbraw/zinc/54/75/49/884547549.db2.gz	SQGHQKWDCJCVQW-QRQLOZEOSA-N	1	0	367.453	1.421	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)C3CC4(CC4)C3)[C@H](C)C2)CC1	ZINC000994577801	884597424	/nfs/dbraw/zinc/59/74/24/884597424.db2.gz	PDILWHUMBCZNFZ-VQIMIIECSA-N	1	0	371.525	1.733	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)C[C@@H](OCC)C2=CCCC2)[C@@H](n2ccnn2)C1	ZINC001128985883	884736401	/nfs/dbraw/zinc/73/64/01/884736401.db2.gz	WTEKIYHEKLJBHX-CEXWTWQISA-N	1	0	371.485	1.548	20	30		FDEDRO
CN1CCC(CNC(=O)N2CCC(F)(C#N)CC2)([NH+]2CCCCC2)CC1	ZINC000498404376	884917633	/nfs/dbraw/zinc/91/76/33/884917633.db2.gz	ZVGBKSHWJBNXHU-UHFFFAOYSA-N	1	0	365.497	1.974	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncc(OC)n2)CC1	ZINC001034738514	884948908	/nfs/dbraw/zinc/94/89/08/884948908.db2.gz	FBSNGBGHDUOHNV-SRABZTEZSA-N	1	0	360.458	1.593	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2nnnn2C)CC1	ZINC001034755233	884970858	/nfs/dbraw/zinc/97/08/58/884970858.db2.gz	YOPNCQKWSWIRHF-SUJAAXHWSA-N	1	0	362.478	1.269	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@@H](c2c(F)cccc2F)N(C)C)CC1	ZINC000918968718	885126268	/nfs/dbraw/zinc/12/62/68/885126268.db2.gz	AXQVLKHRNVEXSP-KRWDZBQOSA-N	1	0	364.440	1.964	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCc1ccc(CNCc2nnnn2C)cc1	ZINC001034817264	885153500	/nfs/dbraw/zinc/15/35/00/885153500.db2.gz	AQXQRXASWGSSGZ-SJORKVTESA-N	1	0	370.457	1.097	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cc3n(n2)CCC3)C1	ZINC000999539551	912910148	/nfs/dbraw/zinc/91/01/48/912910148.db2.gz	MXEFDIRHNOMCMC-OTQHQDGKSA-N	1	0	358.486	1.890	20	30		FDEDRO
C=CCCOCC(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001078990484	885332086	/nfs/dbraw/zinc/33/20/86/885332086.db2.gz	IDHHVYUGOHSBCC-KZNAEPCWSA-N	1	0	365.518	1.759	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc2n(n1)CCC2	ZINC001035076504	885573260	/nfs/dbraw/zinc/57/32/60/885573260.db2.gz	HNUMJGGFBVVOSE-QYZOEREBSA-N	1	0	358.486	1.891	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H](CC)CC(F)F)[C@@H](n2ccnn2)C1	ZINC001129053410	885584054	/nfs/dbraw/zinc/58/40/54/885584054.db2.gz	YHZCUNOCEJQLRJ-KFWWJZLASA-N	1	0	371.432	1.504	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@@H](n2ccnn2)C1	ZINC001129079399	885687789	/nfs/dbraw/zinc/68/77/89/885687789.db2.gz	IXYVVBJYUQRHNU-MSOLQXFVSA-N	1	0	365.441	1.776	20	30		FDEDRO
C#CCN1C[C@@H](NC(=O)CCCc2ccc(Cl)cc2)[C@@H](n2ccnn2)C1	ZINC001129090362	885718289	/nfs/dbraw/zinc/71/82/89/885718289.db2.gz	WRTODSYVROFFLE-MSOLQXFVSA-N	1	0	371.872	1.929	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2n[nH]c3c2CCCC3)[C@@H](n2ccnn2)C1	ZINC001129090123	885718376	/nfs/dbraw/zinc/71/83/76/885718376.db2.gz	VUNMOZCOYSMEKR-SJORKVTESA-N	1	0	369.473	1.502	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccnc(OC)n2)[C@@H](n2ccnn2)C1	ZINC001129098337	885730514	/nfs/dbraw/zinc/73/05/14/885730514.db2.gz	IGAJRWPNOFIRLX-IMJJTQAJSA-N	1	0	371.445	1.087	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)CCc2ccnc(C)n2)[C@@H](n2ccnn2)C1	ZINC001129133593	885828917	/nfs/dbraw/zinc/82/89/17/885828917.db2.gz	BLKIFSXGZWYUAI-MSOLQXFVSA-N	1	0	369.473	1.317	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2ccc(C)n2)[C@@H](n2ccnn2)C1	ZINC001129147700	885876336	/nfs/dbraw/zinc/87/63/36/885876336.db2.gz	MFGCVFXWUHGVFB-KURKYZTESA-N	1	0	371.489	1.742	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)CCc2ccccn2)[C@@H](n2ccnn2)C1	ZINC001129153473	885885373	/nfs/dbraw/zinc/88/53/73/885885373.db2.gz	BCMLTSQTCRGYKV-MSOLQXFVSA-N	1	0	354.458	1.614	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)NCC(C)C)[C@H](C)C2)cn1	ZINC001106896346	886023108	/nfs/dbraw/zinc/02/31/08/886023108.db2.gz	HLYUUQGMJYEGKF-SOLBZPMBSA-N	1	0	370.497	1.521	20	30		FDEDRO
C=C1CC(C)(C(=O)NC[C@@H]2COCCN2C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001061885614	886170856	/nfs/dbraw/zinc/17/08/56/886170856.db2.gz	RVEKCJJJBBJZFM-IXDOHACOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000195142152	886231056	/nfs/dbraw/zinc/23/10/56/886231056.db2.gz	NWALMANAKDFDML-UHFFFAOYSA-N	1	0	356.386	1.253	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3cccnc32)[C@@H](n2ccnn2)C1	ZINC001129199945	886315289	/nfs/dbraw/zinc/31/52/89/886315289.db2.gz	PQCGOJYZMGATDO-KURKYZTESA-N	1	0	366.469	1.711	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1	ZINC000499182618	886556040	/nfs/dbraw/zinc/55/60/40/886556040.db2.gz	ZMXQZWRSBQNQHD-MRXNPFEDSA-N	1	0	358.442	1.374	20	30		FDEDRO
C#CCN(C(=O)NCc1nnc(-c2ccccc2)[nH]1)C1CC[NH+](C)CC1	ZINC000920073794	886591715	/nfs/dbraw/zinc/59/17/15/886591715.db2.gz	AXTRXKKJVNJCMB-UHFFFAOYSA-N	1	0	352.442	1.711	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)CC1(C#N)CCCC1)C2	ZINC000920275475	886804388	/nfs/dbraw/zinc/80/43/88/886804388.db2.gz	RZGGNTFJTDAPKI-YFHUEUNASA-N	1	0	369.531	1.469	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ocnc2CC)[C@@H](n2ccnn2)C1	ZINC001129252939	886870786	/nfs/dbraw/zinc/87/07/86/886870786.db2.gz	NUZWXIQGNIWSLD-BMFZPTHFSA-N	1	0	358.446	1.839	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)CCc2cc(C)on2)[C@@H](n2ccnn2)C1	ZINC001129252576	886883286	/nfs/dbraw/zinc/88/32/86/886883286.db2.gz	CRMSKIZNLLMNBX-SJORKVTESA-N	1	0	358.446	1.515	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CC[N@@H+](C)[C@@H]2CCN(C)C2=O)CC1	ZINC001036603997	886904150	/nfs/dbraw/zinc/90/41/50/886904150.db2.gz	WPTIJVRFIWDEGE-KURKYZTESA-N	1	0	363.502	1.369	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)Cc2ccccc2F)[C@@H](n2ccnn2)C1	ZINC001129261482	886950974	/nfs/dbraw/zinc/95/09/74/886950974.db2.gz	DGKZQZIWIVTJKS-LZQZEXGQSA-N	1	0	369.444	1.661	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)Cn2ccc(C)n2)[C@@H](n2ccnn2)C1	ZINC001129266428	887051875	/nfs/dbraw/zinc/05/18/75/887051875.db2.gz	KMAQWPOOGWDLRR-MSOLQXFVSA-N	1	0	371.489	1.571	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC/C=C/CC)C[C@@H]1n1ccnn1	ZINC001129266781	887053388	/nfs/dbraw/zinc/05/33/88/887053388.db2.gz	QPLVVLDQORAVIQ-XMURRGPJSA-N	1	0	359.474	1.567	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2=O)CC1	ZINC000920599609	887071661	/nfs/dbraw/zinc/07/16/61/887071661.db2.gz	XSDBRGDKVXLEQJ-LJQANCHMSA-N	1	0	368.481	1.887	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3c2ncc(C#N)cc2Cl)CC[N@@H+]1C	ZINC001062598299	887141597	/nfs/dbraw/zinc/14/15/97/887141597.db2.gz	QNJADNMDVBKWTK-UQOMUDLDSA-N	1	0	359.861	1.736	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N(CCC)CC[NH+](C)C)c1	ZINC000921088209	887437560	/nfs/dbraw/zinc/43/75/60/887437560.db2.gz	LXVMZMNPXYKEOE-UHFFFAOYSA-N	1	0	351.472	1.012	20	30		FDEDRO
C[NH+]1CCC(n2ccc(NC(=O)NCCc3cn4c(n3)CCCC4)n2)CC1	ZINC000330221537	887594572	/nfs/dbraw/zinc/59/45/72/887594572.db2.gz	RFVREALKFFJXBJ-UHFFFAOYSA-N	1	0	371.489	2.251	20	30		FDEDRO
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCCO[C@@H](C[NH3+])C2)n1	ZINC000415434405	887628354	/nfs/dbraw/zinc/62/83/54/887628354.db2.gz	ALEBYFKSIGBGEQ-AWEZNQCLSA-N	1	0	374.832	1.979	20	30		FDEDRO
Cn1nnc2c1C[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)CC2	ZINC000922993005	887666781	/nfs/dbraw/zinc/66/67/81/887666781.db2.gz	FYXDWJWPXYXNAH-MRXNPFEDSA-N	1	0	362.441	1.634	20	30		FDEDRO
N#Cc1ccc(NC2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)nc1	ZINC000374899117	887695981	/nfs/dbraw/zinc/69/59/81/887695981.db2.gz	CEYSCUVJQSMYTH-IBGZPJMESA-N	1	0	353.470	2.231	20	30		FDEDRO
C#CCC1([NH2+]Cc2ccc(OCC(=O)N3CCOCC3)c(OC)c2)CCC1	ZINC000923001585	887732886	/nfs/dbraw/zinc/73/28/86/887732886.db2.gz	UTURQLZMUIDCEY-UHFFFAOYSA-N	1	0	372.465	1.968	20	30		FDEDRO
C=CCCC[C@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)C(=O)OC	ZINC000921384597	887829668	/nfs/dbraw/zinc/82/96/68/887829668.db2.gz	SPHDBZPPVRXNGI-INIZCTEOSA-N	1	0	354.472	1.924	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)COC)C[C@H]2OC)cc1	ZINC001212255226	887859839	/nfs/dbraw/zinc/85/98/39/887859839.db2.gz	HMBVKXIAXZOXCL-ATZDWAIDSA-N	1	0	360.454	1.553	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1)C1CC[NH+](C)CC1	ZINC000921493625	888038506	/nfs/dbraw/zinc/03/85/06/888038506.db2.gz	SHWVKQYBLOIRPN-MOPGFXCFSA-N	1	0	362.518	1.369	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ncccc2Cl)C[C@H]1C	ZINC001106901817	888145847	/nfs/dbraw/zinc/14/58/47/888145847.db2.gz	RQGLZJHRCGMWKI-HZSPNIEDSA-N	1	0	364.877	1.723	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)sc2C)C[C@H]1OC	ZINC001212265029	888277449	/nfs/dbraw/zinc/27/74/49/888277449.db2.gz	XTFABVMSJZRFCU-IAOVAPTHSA-N	1	0	350.484	1.719	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)C1CC[NH+](C)CC1	ZINC000923198572	888365135	/nfs/dbraw/zinc/36/51/35/888365135.db2.gz	IMWZXHKFQYHHTL-QGZVFWFLSA-N	1	0	354.454	1.313	20	30		FDEDRO
CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1	ZINC001005996819	888596474	/nfs/dbraw/zinc/59/64/74/888596474.db2.gz	NENPFCDKAJOQOJ-ZWKOTPCHSA-N	1	0	361.486	1.103	20	30		FDEDRO
C=CCOCCCNC(=O)N[C@@H]1C[C@@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O	ZINC000923278164	888723057	/nfs/dbraw/zinc/72/30/57/888723057.db2.gz	PRLAUFGEPGAHNA-VXNCWWDNSA-N	1	0	353.507	1.748	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1	ZINC000938499112	888730158	/nfs/dbraw/zinc/73/01/58/888730158.db2.gz	UJKQKKPHSSINAC-TXTZMMAHSA-N	1	0	363.502	1.415	20	30		FDEDRO
C#CC[C@@H](CO)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2	ZINC000923336739	888937096	/nfs/dbraw/zinc/93/70/96/888937096.db2.gz	JKSOECSFFLPTTG-MOPGFXCFSA-N	1	0	355.482	1.972	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](N(C)C(=O)[C@@H]3C[C@H]3CCC)C2)CC1	ZINC000938669544	889072527	/nfs/dbraw/zinc/07/25/27/889072527.db2.gz	MZMRPSUMOVEZIH-GUDVDZBRSA-N	1	0	359.514	1.827	20	30		FDEDRO
C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1	ZINC001089693665	889109254	/nfs/dbraw/zinc/10/92/54/889109254.db2.gz	MTVKDWADOHXBBD-BBWFWOEESA-N	1	0	365.518	1.805	20	30		FDEDRO
COc1ccc([C@H]2C[NH2+]CCN2C[C@H](O)COc2ccc(C#N)cc2)cc1	ZINC000923423952	889201091	/nfs/dbraw/zinc/20/10/91/889201091.db2.gz	TWVCSPDUCCSKGU-GHTZIAJQSA-N	1	0	367.449	1.953	20	30		FDEDRO
Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)CNc3ccc(C#N)cn3)C1)CCCC2	ZINC000330246629	889396642	/nfs/dbraw/zinc/39/66/42/889396642.db2.gz	FGTJIZYMRLTIDI-INIZCTEOSA-N	1	0	364.453	2.223	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1	ZINC001006123912	889577072	/nfs/dbraw/zinc/57/70/72/889577072.db2.gz	OGLNNKOKAAHKTQ-WBAXXEDZSA-N	1	0	363.502	1.558	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nc1	ZINC000938968198	889720227	/nfs/dbraw/zinc/72/02/27/889720227.db2.gz	BVHCTXWSUCWLMZ-ZIFCJYIRSA-N	1	0	368.481	1.466	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)COc1ccccc1F	ZINC001127609167	889737623	/nfs/dbraw/zinc/73/76/23/889737623.db2.gz	NRVZQFOCZDQWHG-INMHGKMJSA-N	1	0	366.433	1.252	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCc1ccccc1F	ZINC001127609250	889739515	/nfs/dbraw/zinc/73/95/15/889739515.db2.gz	RXUZJDOOWDBXTE-WBVHZDCISA-N	1	0	363.433	1.129	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)N(C)c1ccccc1	ZINC001127609315	889741583	/nfs/dbraw/zinc/74/15/83/889741583.db2.gz	VIWSCUJZLAQHSZ-NXHRZFHOSA-N	1	0	359.470	1.725	20	30		FDEDRO
CC(C)(C)OC[C@H]([NH3+])C(=O)NCc1nc(-c2cc(C#N)ccc2F)no1	ZINC001212290648	889763411	/nfs/dbraw/zinc/76/34/11/889763411.db2.gz	PPLOXTDMLJFSQL-ZDUSSCGKSA-N	1	0	361.377	1.506	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@@H]1O	ZINC001084091919	913382825	/nfs/dbraw/zinc/38/28/25/913382825.db2.gz	WNGIHXUZHCGDOC-IKGGRYGDSA-N	1	0	362.499	1.155	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)C2CC[NH+](C3CCN(CC)CC3)CC2)C1	ZINC000923561796	889834578	/nfs/dbraw/zinc/83/45/78/889834578.db2.gz	MJYIAHFQBBTQDA-IBGZPJMESA-N	1	0	360.546	1.397	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CCN(C(=O)[C@]34C[C@H]3CCC4)C2)CC1	ZINC000939024878	889834687	/nfs/dbraw/zinc/83/46/87/889834687.db2.gz	HTISKAIJUMJHCF-LVCYWYKZSA-N	1	0	357.498	1.581	20	30		FDEDRO
Nc1nccc([C@@H]2CCC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C2)n1	ZINC000331357756	889899567	/nfs/dbraw/zinc/89/95/67/889899567.db2.gz	UIXFUVXZXKVZHH-SNVBAGLBSA-N	1	0	374.367	1.221	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NCc1ccccc1	ZINC001127613134	889940535	/nfs/dbraw/zinc/94/05/35/889940535.db2.gz	RCJGQAFHGOJORB-JQHSSLGASA-N	1	0	359.470	1.378	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccc(C)c(F)c1	ZINC001127613306	889947036	/nfs/dbraw/zinc/94/70/36/889947036.db2.gz	ZDMKEMMPRAXAGR-WBVHZDCISA-N	1	0	363.433	1.760	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)CCc2ccc(OC)c(OC)c2OC)C1	ZINC000923583259	889979037	/nfs/dbraw/zinc/97/90/37/889979037.db2.gz	RYYJLZPORBVPLH-INIZCTEOSA-N	1	0	360.454	1.859	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC001006173530	890020937	/nfs/dbraw/zinc/02/09/37/890020937.db2.gz	BJFHGHKCFXTWSJ-AFAVFJNCSA-N	1	0	357.458	1.193	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cc(C(F)(F)F)nn2C)[C@H](OC)C1	ZINC001212318621	890063195	/nfs/dbraw/zinc/06/31/95/890063195.db2.gz	DFGJXBJKGOFNBJ-DGCLKSJQSA-N	1	0	360.380	1.834	20	30		FDEDRO
CC#CCN1C[C@@H](NC(=O)[C@H](CC)OC2CCCC2)[C@@H](n2ccnn2)C1	ZINC001129294249	890148893	/nfs/dbraw/zinc/14/88/93/890148893.db2.gz	PBAYJOVGLBYKQO-SQNIBIBYSA-N	1	0	359.474	1.381	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1OC	ZINC001212332471	890235455	/nfs/dbraw/zinc/23/54/55/890235455.db2.gz	CZYFVQSAHMRDAM-RRFJBIMHSA-N	1	0	353.507	1.707	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(NC(=O)C23CC[NH+](CC2)C3)CCC1	ZINC001063214960	890341666	/nfs/dbraw/zinc/34/16/66/890341666.db2.gz	YZYUYPCFDCNPNU-CVEARBPZSA-N	1	0	361.486	1.219	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)c2cn(CC)nc2C2CC2)[C@H](OC)C1	ZINC001212340533	890442425	/nfs/dbraw/zinc/44/24/25/890442425.db2.gz	MIVRRTDBTSSYDZ-IAGOWNOFSA-N	1	0	362.474	1.412	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(NC(C)=O)cc2)C[C@H]1C	ZINC001106914477	890715776	/nfs/dbraw/zinc/71/57/76/890715776.db2.gz	PAXGQGLDLOQGTB-CRAIPNDOSA-N	1	0	357.454	1.593	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3nc(Cl)cs3)C2)cc1	ZINC001077569003	890922230	/nfs/dbraw/zinc/92/22/30/890922230.db2.gz	ZTGGBGXYWKFDEM-CHWSQXEVSA-N	1	0	362.842	1.643	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCC1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC001001843265	891421484	/nfs/dbraw/zinc/42/14/84/891421484.db2.gz	DVFYZDZAFAMBCR-RBUKOAKNSA-N	1	0	368.481	1.611	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](CCc2cnn(CC)c2)CC1	ZINC001001852016	891455303	/nfs/dbraw/zinc/45/53/03/891455303.db2.gz	QSRAAMVFCOMIHE-MOPGFXCFSA-N	1	0	360.502	1.865	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C)c1	ZINC000940011144	891627097	/nfs/dbraw/zinc/62/70/97/891627097.db2.gz	PNECPMWNDXUNAG-VQIMIIECSA-N	1	0	368.481	1.372	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CC[NH+]2CCCCC2)c1	ZINC001001905837	891640573	/nfs/dbraw/zinc/64/05/73/891640573.db2.gz	VCEXYRRBXMXNKU-NUJGCVRESA-N	1	0	369.469	1.624	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCOC)C1	ZINC001112541477	892650276	/nfs/dbraw/zinc/65/02/76/892650276.db2.gz	YZZBOMKMJVTTEJ-NSHGMRRFSA-N	1	0	365.518	1.712	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2nc(C)c(C)[nH]c2=O)[C@H](OC)C1	ZINC001212448188	892659634	/nfs/dbraw/zinc/65/96/34/892659634.db2.gz	BJNKLHREVVTOCU-HZPDHXFCSA-N	1	0	364.490	1.786	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1	ZINC000672307538	892918701	/nfs/dbraw/zinc/91/87/01/892918701.db2.gz	DPUXUVTWVVNMFK-LJQANCHMSA-N	1	0	355.482	1.844	20	30		FDEDRO
CC(=O)N1CC[C@H](C(=O)N2C[C@@H](C[NH2+]CC#Cc3ccccc3)[C@H](C)C2)C1	ZINC001106927817	892982392	/nfs/dbraw/zinc/98/23/92/892982392.db2.gz	HMOGFGNBEJTWJJ-JRGCBEDISA-N	1	0	367.493	1.591	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1	ZINC000940719257	893005802	/nfs/dbraw/zinc/00/58/02/893005802.db2.gz	YSAKRIMAAVHNJZ-AOIWGVFYSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3nnc(C)o3)[C@H](C)C2)CCOCC1	ZINC001106932099	893023571	/nfs/dbraw/zinc/02/35/71/893023571.db2.gz	SQPVLWJSQZZZTR-GDBMZVCRSA-N	1	0	362.474	1.935	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3cnn(C)c3)[C@H](C)C2)CCOCC1	ZINC001106932232	893025751	/nfs/dbraw/zinc/02/57/51/893025751.db2.gz	VIZJDTVTQXWHJY-SJLPKXTDSA-N	1	0	360.502	1.977	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(CC)cc2)C[C@H]1C	ZINC001106941760	893260262	/nfs/dbraw/zinc/26/02/62/893260262.db2.gz	BDOGAPLDPFTDSF-JTDSTZFVSA-N	1	0	355.482	1.685	20	30		FDEDRO
C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2c2ccccc2)C1	ZINC000940819291	893306243	/nfs/dbraw/zinc/30/62/43/893306243.db2.gz	SGPNBAWZXSVLEY-HSALFYBXSA-N	1	0	365.477	1.462	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CC[NH+](C)CC2)C1	ZINC000940880135	893386541	/nfs/dbraw/zinc/38/65/41/893386541.db2.gz	FPRJUINOJMXQTO-ZYSHUDEJSA-N	1	0	368.481	1.599	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cnc3n2CCCCC3)[C@H](OC)C1	ZINC001212451151	893393467	/nfs/dbraw/zinc/39/34/67/893393467.db2.gz	POSIUIRAHZTAQO-NVXWUHKLSA-N	1	0	362.474	1.241	20	30		FDEDRO
N#Cc1sc(NC(=O)N2CC[NH+](C3CCOCC3)CC2)nc1Cl	ZINC000888414386	893411103	/nfs/dbraw/zinc/41/11/03/893411103.db2.gz	RQNRZRMFPSQHSL-UHFFFAOYSA-N	1	0	355.851	1.997	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)N(C)CCO3)[C@H](OC)C1	ZINC001212458876	893731750	/nfs/dbraw/zinc/73/17/50/893731750.db2.gz	QRMWFBSCRZZTCK-VQIMIIECSA-N	1	0	359.470	1.910	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+]2CCCC2)C3)cc1	ZINC001002822893	894229045	/nfs/dbraw/zinc/22/90/45/894229045.db2.gz	DLSYPHADYUTJML-QRVBRYPASA-N	1	0	351.450	1.625	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)c1	ZINC000941222229	894373399	/nfs/dbraw/zinc/37/33/99/894373399.db2.gz	GXFKWJFSKUQCIH-RBUKOAKNSA-N	1	0	368.481	1.468	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(CCOC)cc1	ZINC000922023411	894424769	/nfs/dbraw/zinc/42/47/69/894424769.db2.gz	JNFNCMBDJMMFHC-UHFFFAOYSA-N	1	0	350.484	1.594	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cnc2onc(C3CC3)c2c1	ZINC000922023605	894429976	/nfs/dbraw/zinc/42/99/76/894429976.db2.gz	WYPXPEFGAMXBTL-UHFFFAOYSA-N	1	0	374.466	1.818	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C(C)=O)c(F)c1	ZINC000922027062	894546357	/nfs/dbraw/zinc/54/63/57/894546357.db2.gz	YKDUZOBKJJOVKU-UHFFFAOYSA-N	1	0	352.431	1.746	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](CCCc2nc(C)no2)CC1	ZINC001002848967	894596111	/nfs/dbraw/zinc/59/61/11/894596111.db2.gz	NACUFNNVPQZSFS-SJORKVTESA-N	1	0	362.474	1.872	20	30		FDEDRO
Cn1oc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)cc1=O	ZINC001084308337	913958293	/nfs/dbraw/zinc/95/82/93/913958293.db2.gz	QJKYKVOOPBIIGT-HZPDHXFCSA-N	1	0	352.394	1.196	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CCNC(=O)c2ccco2)C[C@H]1C	ZINC001106960304	895491073	/nfs/dbraw/zinc/49/10/73/895491073.db2.gz	JIQBEPQZCCJGNZ-TZMCWYRMSA-N	1	0	353.850	1.836	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3ccccc3[nH]2)C[C@H]1C	ZINC001106960378	895538424	/nfs/dbraw/zinc/53/84/24/895538424.db2.gz	LZALTVZAPDBKDB-GDBMZVCRSA-N	1	0	354.454	1.768	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@H]1C	ZINC001106962765	896036637	/nfs/dbraw/zinc/03/66/37/896036637.db2.gz	UGTUDPFDUASQFH-HUUCEWRRSA-N	1	0	359.474	1.620	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1	ZINC000942153187	896507610	/nfs/dbraw/zinc/50/76/10/896507610.db2.gz	SSESSODRAXLEON-QRQLOZEOSA-N	1	0	368.481	1.552	20	30		FDEDRO
C=C(Cl)CN1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1	ZINC000999985821	896515547	/nfs/dbraw/zinc/51/55/47/896515547.db2.gz	FNOYBQAETUTAMW-VNQPRFMTSA-N	1	0	366.897	1.234	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CO[C@H]4CCOC4)[C@@H]3C2)cc1	ZINC001084340033	914092835	/nfs/dbraw/zinc/09/28/35/914092835.db2.gz	RAMJIQICXDTABA-CEXWTWQISA-N	1	0	355.438	1.396	20	30		FDEDRO
C=CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000508896882	896929338	/nfs/dbraw/zinc/92/93/38/896929338.db2.gz	VDSFLUOSPAFCAF-UHFFFAOYSA-N	1	0	374.533	1.797	20	30		FDEDRO
C=CC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)n1	ZINC001128107219	896962180	/nfs/dbraw/zinc/96/21/80/896962180.db2.gz	NRUGUUCAGRQJEY-GVDBMIGSSA-N	1	0	366.469	1.579	20	30		FDEDRO
C=CCC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@]34C[C@H]3COC4)C2)n1	ZINC001128107376	896965705	/nfs/dbraw/zinc/96/57/05/896965705.db2.gz	RPNWSTTYVDXJKK-KNBMTAEXSA-N	1	0	356.470	1.479	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCC2CN(C(=O)OC(C)(C)C)C2)CC1	ZINC000921697964	896985756	/nfs/dbraw/zinc/98/57/56/896985756.db2.gz	JNNYBTTZONAYSR-UHFFFAOYSA-N	1	0	350.463	1.250	20	30		FDEDRO
C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC2(CCOCC2)C1	ZINC001089958461	897294568	/nfs/dbraw/zinc/29/45/68/897294568.db2.gz	WENDCINDPYLQQK-OKZBNKHCSA-N	1	0	358.486	1.697	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCOc2ccccc2C)C[C@H]1C	ZINC001106978653	897342969	/nfs/dbraw/zinc/34/29/69/897342969.db2.gz	DPIUOLWRMXIDDA-QZTJIDSGSA-N	1	0	371.481	1.197	20	30		FDEDRO
C#CC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@H]3CCO[C@H]3C(=C)C)C2)n1	ZINC001128126002	897383238	/nfs/dbraw/zinc/38/32/38/897383238.db2.gz	JCIZZASCCSEUQB-HBFSDRIKSA-N	1	0	368.481	1.481	20	30		FDEDRO
CC#CC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@H]3CC[C@@H](C)O3)C2)n1	ZINC001128133472	897438388	/nfs/dbraw/zinc/43/83/88/897438388.db2.gz	ZKPFQPGCIGZMME-KBAYOESNSA-N	1	0	356.470	1.457	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@]23C[C@H]2COC3)C1	ZINC000995264389	897604151	/nfs/dbraw/zinc/60/41/51/897604151.db2.gz	FFXKAUZERBFUTQ-DYXWJJEUSA-N	1	0	353.466	1.792	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCc3ccccc3CC)C[C@H]2O)nc1	ZINC001078030232	897666822	/nfs/dbraw/zinc/66/68/22/897666822.db2.gz	OFFGPQOWQMJEBW-NHCUHLMSSA-N	1	0	363.461	1.643	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H](OC)C3CCCC3)C[C@H]2O)cn1	ZINC001078032364	897675476	/nfs/dbraw/zinc/67/54/76/897675476.db2.gz	KJBMBZYBWXROMC-GUDVDZBRSA-N	1	0	357.454	1.043	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC000995275640	897720418	/nfs/dbraw/zinc/72/04/18/897720418.db2.gz	SVNCOKVVPFLIPW-OTWHNJEPSA-N	1	0	370.497	1.820	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2ccnc(C)n2)C[C@H]1C	ZINC001106991433	897974341	/nfs/dbraw/zinc/97/43/41/897974341.db2.gz	ATFPMDFDXBJAAJ-ZWNOBZJWSA-N	1	0	353.264	1.991	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC000943285458	898619838	/nfs/dbraw/zinc/61/98/38/898619838.db2.gz	MMDMESHZMOMJFU-ATZDWAIDSA-N	1	0	368.481	1.514	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@]34C[C@H]3COC4)CCCO2)cc1	ZINC001078403875	898740814	/nfs/dbraw/zinc/74/08/14/898740814.db2.gz	LCTXQCBNUPICOL-NSHGMRRFSA-N	1	0	355.438	1.302	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2	ZINC001060991518	898914884	/nfs/dbraw/zinc/91/48/84/898914884.db2.gz	MWJZAVGZWIZTLV-GPMSIDNRSA-N	1	0	363.502	1.105	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cn(CC(F)F)nc2C)[C@H](OC)C1	ZINC001212440971	899027440	/nfs/dbraw/zinc/02/74/40/899027440.db2.gz	VNCXYZVPOCIEAF-HUUCEWRRSA-N	1	0	356.417	1.852	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)N2CCCC2=O)C[C@H]1C	ZINC001107000945	899062301	/nfs/dbraw/zinc/06/23/01/899062301.db2.gz	FWZDVLMKWGAOQD-ZACQAIPSSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CN(C(=O)C[NH+](CC)CC)C2)CC1	ZINC001061016571	899146191	/nfs/dbraw/zinc/14/61/91/899146191.db2.gz	SRLUVLHUWUODGK-SJORKVTESA-N	1	0	363.502	1.370	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C[NH2+]CC(=O)NC1CC1	ZINC001107016708	899550007	/nfs/dbraw/zinc/55/00/07/899550007.db2.gz	AMMLASSFZQURCS-SJLPKXTDSA-N	1	0	353.466	1.391	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C[NH2+]CC(=O)N1CCCC1	ZINC001107016934	899552477	/nfs/dbraw/zinc/55/24/77/899552477.db2.gz	IAMWINOIUYTEIS-UYAOXDASSA-N	1	0	367.493	1.735	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CNC(=O)c2ccccn2)C[C@H]1C	ZINC001107026102	899629132	/nfs/dbraw/zinc/62/91/32/899629132.db2.gz	IOHAVOPELPZSNX-TZMCWYRMSA-N	1	0	350.850	1.248	20	30		FDEDRO
CNC(=O)NC(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1	ZINC001107033360	899779749	/nfs/dbraw/zinc/77/97/49/899779749.db2.gz	QEPWOHHTQUSLDO-RHSMWYFYSA-N	1	0	371.485	1.450	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)cn1	ZINC000944170693	899942743	/nfs/dbraw/zinc/94/27/43/899942743.db2.gz	YCVLIPQXOUUOEO-CEXWTWQISA-N	1	0	368.481	1.514	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1	ZINC000944178722	899975519	/nfs/dbraw/zinc/97/55/19/899975519.db2.gz	SJXDLOLNPRPMEU-ATZDWAIDSA-N	1	0	353.466	1.729	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H](c2cccnc2)N(C)C)C[C@H]1C	ZINC001107044667	900088885	/nfs/dbraw/zinc/08/88/85/900088885.db2.gz	LDSWCVXOTLOJJM-QRQLOZEOSA-N	1	0	360.502	1.571	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000944618188	900380931	/nfs/dbraw/zinc/38/09/31/900380931.db2.gz	ITWPWXHYAZWNMM-OWCLPIDISA-N	1	0	351.491	1.273	20	30		FDEDRO
C=C1CC(C)(C(=O)N2CCO[C@@H](CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1	ZINC000944618732	900382003	/nfs/dbraw/zinc/38/20/03/900382003.db2.gz	OXRGKCSOVCWVTB-YESZJQIVSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000944615249	900433595	/nfs/dbraw/zinc/43/35/95/900433595.db2.gz	HEIMZXLANQCNMB-BPLDGKMQSA-N	1	0	371.909	1.449	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nc(C(F)F)no2)[C@H](C)C1	ZINC001107063089	900448076	/nfs/dbraw/zinc/44/80/76/900448076.db2.gz	BAHAUZUUTNDQDB-IJLUTSLNSA-N	1	0	358.389	1.782	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCC(C)(C)C)[C@H](C)C1	ZINC001107063690	900449111	/nfs/dbraw/zinc/44/91/11/900449111.db2.gz	XMTNIQVWMLDACH-IAGOWNOFSA-N	1	0	367.534	1.816	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001107085882	900706398	/nfs/dbraw/zinc/70/63/98/900706398.db2.gz	IFMASIIOFPOPAQ-QRQLOZEOSA-N	1	0	368.481	1.265	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c(C)cccc2F)C[C@H]1C	ZINC001107087161	900717976	/nfs/dbraw/zinc/71/79/76/900717976.db2.gz	QSKMOXWKRGXREK-OWCLPIDISA-N	1	0	359.445	1.570	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2nn(CC)nc2C)C[C@H]1C	ZINC001107090802	900776055	/nfs/dbraw/zinc/77/60/55/900776055.db2.gz	UOUKXIWXECODBN-ZWNOBZJWSA-N	1	0	370.295	1.813	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC2CCC(OC)CC2)C[C@H]1C	ZINC001107094627	900829963	/nfs/dbraw/zinc/82/99/63/900829963.db2.gz	IQVMBRPZFOMOIT-RZZCCWGQSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)C[NH+]1CCCC1)CC2	ZINC000944941030	901050322	/nfs/dbraw/zinc/05/03/22/901050322.db2.gz	SFQQIQWVHXVXBJ-SJORKVTESA-N	1	0	361.486	1.124	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)CC1	ZINC001079084799	901096930	/nfs/dbraw/zinc/09/69/30/901096930.db2.gz	VTSIXRYQQVUCCD-KSZLIROESA-N	1	0	365.518	1.759	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CCNc2ccc(C#N)nn2)CC[N@@H+]1C	ZINC001063852936	901168140	/nfs/dbraw/zinc/16/81/40/901168140.db2.gz	LLAKCUAYWDPUGL-HYVNUMGLSA-N	1	0	356.474	1.872	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(C[C@@H](CC)[N@@H+]2CCc3ccccc3C2)C1=O	ZINC000348422448	901310268	/nfs/dbraw/zinc/31/02/68/901310268.db2.gz	FLUKJLCRARKUJO-MSOLQXFVSA-N	1	0	357.454	1.946	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccc(C#N)nn2)CC[N@@H+]1C	ZINC001064544238	901396569	/nfs/dbraw/zinc/39/65/69/901396569.db2.gz	MZFWPPOHTYWPKM-XWTMOSNGSA-N	1	0	368.485	1.648	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CCCCCS(N)(=O)=O)C[C@H]1C	ZINC001107108897	901560919	/nfs/dbraw/zinc/56/09/19/901560919.db2.gz	KLPWXRSRDPUJGX-TZMCWYRMSA-N	1	0	365.927	1.272	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(CC#Cc3ccccc3)C[C@@H]2O)CC1	ZINC001083908789	901567248	/nfs/dbraw/zinc/56/72/48/901567248.db2.gz	WZBQARABTCRKDL-RTWAWAEBSA-N	1	0	369.509	1.320	20	30		FDEDRO
Cc1nc(N2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)ccc1C#N	ZINC001090351721	901795494	/nfs/dbraw/zinc/79/54/94/901795494.db2.gz	OHQZXTDKCUAYBM-DLBZAZTESA-N	1	0	353.470	1.641	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC2(C)CCN(c3cncc(C#N)n3)CC2)CC[N@@H+]1C	ZINC001065116045	901857945	/nfs/dbraw/zinc/85/79/45/901857945.db2.gz	WZFXCGDTMAMFRR-JKSUJKDBSA-N	1	0	356.474	1.554	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnccn2)C1	ZINC001079126113	901927057	/nfs/dbraw/zinc/92/70/57/901927057.db2.gz	URBXJNHMQKXSHM-RTBURBONSA-N	1	0	350.422	1.187	20	30		FDEDRO
CC#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[N@@H+]2C)C1	ZINC001079129801	901935780	/nfs/dbraw/zinc/93/57/80/901935780.db2.gz	HVRIYPWAQPCXPV-XUVXKRRUSA-N	1	0	355.482	1.178	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cccnn2)C1	ZINC001079146381	901965504	/nfs/dbraw/zinc/96/55/04/901965504.db2.gz	IJMMRUBYZJWJSY-RTBURBONSA-N	1	0	350.422	1.187	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)CC[C@H]1c1ccc(F)cc1	ZINC001079152408	901987170	/nfs/dbraw/zinc/98/71/70/901987170.db2.gz	LFTCNYLXKVZSGG-BBWFWOEESA-N	1	0	361.417	1.784	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C2CN(C(C)=O)C2)C1	ZINC001079133712	901993903	/nfs/dbraw/zinc/99/39/03/901993903.db2.gz	XAJMIIZQQVKASB-WOJBJXKFSA-N	1	0	371.481	1.115	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCCNC2=O)C1	ZINC001079136761	902005650	/nfs/dbraw/zinc/00/56/50/902005650.db2.gz	AWROQRJCXXKECR-GUDVDZBRSA-N	1	0	371.481	1.163	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@@H]4CCNC4=O)[C@@H]3C2)c1	ZINC001084401455	914585183	/nfs/dbraw/zinc/58/51/83/914585183.db2.gz	FOLQZXQYKSXVKK-RCCFBDPRSA-N	1	0	352.438	1.117	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2c(C)cnn2C)C1	ZINC001079141759	902033235	/nfs/dbraw/zinc/03/32/35/902033235.db2.gz	WWGBZBAGPIGJPC-RTBURBONSA-N	1	0	368.481	1.992	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[NH+](CCCCCNC(=O)[C@H]2OCC[C@H]2C)CC1	ZINC001079166242	902035196	/nfs/dbraw/zinc/03/51/96/902035196.db2.gz	YXRHCGUCSIIJPO-ZACQAIPSSA-N	1	0	364.490	1.002	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCCC(=O)N2)CC[C@H]1c1ccc(F)cc1	ZINC001079154472	902068319	/nfs/dbraw/zinc/06/83/19/902068319.db2.gz	FFQNFCFINQPBCB-CEXWTWQISA-N	1	0	371.456	1.792	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](CCCCCNC(=O)C(C)C)CC1	ZINC001079157242	902075950	/nfs/dbraw/zinc/07/59/50/902075950.db2.gz	FAYNHLBSWXLEQJ-MSOLQXFVSA-N	1	0	365.518	1.664	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](NCC#N)C2)C1	ZINC001079159231	902082187	/nfs/dbraw/zinc/08/21/87/902082187.db2.gz	QFZQCPIAXXUNTQ-ZYSHUDEJSA-N	1	0	358.461	1.965	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2nonc2C)CC[C@H]1c1ccc(F)cc1	ZINC001079161613	902086520	/nfs/dbraw/zinc/08/65/20/902086520.db2.gz	ZOTUNFRIKOVXGI-FUHWJXTLSA-N	1	0	356.401	1.667	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1c1cccc(F)c1	ZINC001079198721	902097956	/nfs/dbraw/zinc/09/79/56/902097956.db2.gz	OQQAGJCUOHKGNN-WMLDXEAASA-N	1	0	354.385	1.084	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN(C)C2=O)C[C@H]1c1cccc(F)c1	ZINC001079207011	902112630	/nfs/dbraw/zinc/11/26/30/902112630.db2.gz	JMAVVLRRAKFVHF-CEXWTWQISA-N	1	0	371.456	1.601	20	30		FDEDRO
CC[C@H]([NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1cccc(F)c1)C(N)=O	ZINC001079183684	902127373	/nfs/dbraw/zinc/12/73/73/902127373.db2.gz	OIYKIBRAFBRGNI-OKZBNKHCSA-N	1	0	357.429	1.387	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1c1cccc(F)c1	ZINC001079187656	902135706	/nfs/dbraw/zinc/13/57/06/902135706.db2.gz	RQLZDXSZUKXUKR-FGTMMUONSA-N	1	0	359.445	1.812	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN(C(C)=O)C2)C[C@H]1c1cccc(F)c1	ZINC001079190449	902145800	/nfs/dbraw/zinc/14/58/00/902145800.db2.gz	SQNWIEDBJUFVST-YZGWKJHDSA-N	1	0	371.456	1.601	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCNC(=O)CC2)C[C@H]1c1cccc(F)c1	ZINC001079192337	902149642	/nfs/dbraw/zinc/14/96/42/902149642.db2.gz	BDKNWGDUCJXOGK-JCGIZDLHSA-N	1	0	359.445	1.812	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(OC)cn2)C[C@H]1c1cccc(F)c1	ZINC001079195179	902157217	/nfs/dbraw/zinc/15/72/17/902157217.db2.gz	IAAOSOSQFQFABA-VQTJNVASSA-N	1	0	367.424	1.989	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(CC)CCO2)C[C@H]1c1cccc(F)c1	ZINC001079211233	902164080	/nfs/dbraw/zinc/16/40/80/902164080.db2.gz	XQKDPOCWFPQUBJ-OTWHNJEPSA-N	1	0	361.461	1.616	20	30		FDEDRO
O=C(C#CC1CC1)N1CC2(CC[NH+](CCn3cccn3)CC2)[C@H]2COC[C@H]21	ZINC001079240989	902190513	/nfs/dbraw/zinc/19/05/13/902190513.db2.gz	IWDUKEYRLRSPEU-RBUKOAKNSA-N	1	0	368.481	1.236	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)Cc3ccncc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079241932	902195213	/nfs/dbraw/zinc/19/52/13/902195213.db2.gz	KHWANFDHJPHAMR-VQTJNVASSA-N	1	0	367.493	1.895	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cc(OC)ncn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079242017	902195233	/nfs/dbraw/zinc/19/52/33/902195233.db2.gz	NORGDJCSPIJQOD-DOTOQJQBSA-N	1	0	370.453	1.062	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3ccc(C)n3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079221268	902221841	/nfs/dbraw/zinc/22/18/41/902221841.db2.gz	XINKQKMZVOUBRR-PKOBYXMFSA-N	1	0	355.482	1.910	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3snnc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079221875	902222785	/nfs/dbraw/zinc/22/27/85/902222785.db2.gz	LXJCJVOGUFSBTN-LSDHHAIUSA-N	1	0	360.483	1.423	20	30		FDEDRO
Cc1nn(C)cc1C[NH+]1CCC2(CN(C(=O)[C@@H](C)C#N)[C@@H]3COC[C@@H]32)CC1	ZINC001079228239	902241500	/nfs/dbraw/zinc/24/15/00/902241500.db2.gz	CJQUAMGUCRAMAX-JCGIZDLHSA-N	1	0	371.485	1.328	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CCCO2)C3)CC1	ZINC000995805516	902254370	/nfs/dbraw/zinc/25/43/70/902254370.db2.gz	ITCQZBHOCSRFMT-YRXWBPOGSA-N	1	0	373.497	1.149	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3ccc4nc[nH]c4n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079246987	902258213	/nfs/dbraw/zinc/25/82/13/902258213.db2.gz	FNRBOCSVSGWGJK-WMLDXEAASA-N	1	0	367.453	1.697	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3c(C)ncn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079246274	902258568	/nfs/dbraw/zinc/25/85/68/902258568.db2.gz	ZJFPWNFIJIDKKK-DLBZAZTESA-N	1	0	358.486	1.858	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3ccnnc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079250020	902266878	/nfs/dbraw/zinc/26/68/78/902266878.db2.gz	HKXCDFDPNPDWEM-ZWKOTPCHSA-N	1	0	354.454	1.361	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H]3COC[C@@H]32)CC1	ZINC001079252167	902274819	/nfs/dbraw/zinc/27/48/19/902274819.db2.gz	AYJCXLWSBWYACN-PHUPPTAPSA-N	1	0	370.493	1.373	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3coc(OC)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079253683	902276821	/nfs/dbraw/zinc/27/68/21/902276821.db2.gz	CAXSOOVTOOZLIM-GOEBONIOSA-N	1	0	361.442	1.812	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cnc4n3CCCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079257919	902289788	/nfs/dbraw/zinc/28/97/88/902289788.db2.gz	DKKSOQPTWVWMSW-FUHWJXTLSA-N	1	0	370.497	1.958	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3c[nH]c(=O)cc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079259935	902296001	/nfs/dbraw/zinc/29/60/01/902296001.db2.gz	WDOMNYWSCFHRAC-DLBZAZTESA-N	1	0	357.454	1.835	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC3(CC[NH+](CCCF)CC3)[C@H]3COC[C@H]32)c1	ZINC001079259598	902296067	/nfs/dbraw/zinc/29/60/67/902296067.db2.gz	JGGTVSCRYDCJSJ-RBUKOAKNSA-N	1	0	371.456	1.976	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH]cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079265447	902310423	/nfs/dbraw/zinc/31/04/23/902310423.db2.gz	JWBBDVRPIVWUAY-NZSAHSFTSA-N	1	0	370.497	1.551	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH]cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079265448	902310810	/nfs/dbraw/zinc/31/08/10/902310810.db2.gz	JWBBDVRPIVWUAY-YTQUADARSA-N	1	0	370.497	1.551	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cnc(C)nc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079266766	902315311	/nfs/dbraw/zinc/31/53/11/902315311.db2.gz	HXEUNQMMHPPTPK-RBUKOAKNSA-N	1	0	368.481	1.670	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)C[C@H](C)n3cccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269202	902323944	/nfs/dbraw/zinc/32/39/44/902323944.db2.gz	MIJPOVTTWMLVLZ-GBESFXJTSA-N	1	0	370.497	1.797	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3coc(COC)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269297	902325368	/nfs/dbraw/zinc/32/53/68/902325368.db2.gz	RBIJTICWUDOZBW-GOEBONIOSA-N	1	0	361.442	1.560	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ccccc3OC)[C@@H]3COC[C@@H]32)CC1	ZINC001079271526	902333762	/nfs/dbraw/zinc/33/37/62/902333762.db2.gz	STMYRGDWPVBGHZ-ZWKOTPCHSA-N	1	0	354.450	1.881	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)S(C)(=O)=O)C[C@H]1c1ccccc1F	ZINC001079299522	902345232	/nfs/dbraw/zinc/34/52/32/902345232.db2.gz	VKKXGCYXNDZRBE-DUVNUKRYSA-N	1	0	354.447	1.329	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccnc3n[nH]nc32)C[C@H]1c1ccccc1F	ZINC001079302858	902353206	/nfs/dbraw/zinc/35/32/06/902353206.db2.gz	NZVBPUFKPUJDEP-GOEBONIOSA-N	1	0	364.384	1.323	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnns2)C(C)(C)C1	ZINC000995832342	902356418	/nfs/dbraw/zinc/35/64/18/902356418.db2.gz	MOSFQMCUMPLYBF-QLFBSQMISA-N	1	0	350.488	1.846	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1c1ccccc1F	ZINC001079303786	902362769	/nfs/dbraw/zinc/36/27/69/902362769.db2.gz	ADPRLUHLBSPOBG-GOEBONIOSA-N	1	0	355.369	1.349	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CCn2cccn2)C1	ZINC001079287111	902384283	/nfs/dbraw/zinc/38/42/83/902384283.db2.gz	OATJGISRNWTFPJ-QILLFSRXSA-N	1	0	355.417	1.766	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cn2cccc(C)c2=O)C[C@H]1c1ccccc1F	ZINC001079295504	902398923	/nfs/dbraw/zinc/39/89/23/902398923.db2.gz	KTCTWCFWUVSMPI-PKOBYXMFSA-N	1	0	367.424	1.513	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn3c2CCC3)C[C@H]1c1ccccc1F	ZINC001079297810	902404489	/nfs/dbraw/zinc/40/44/89/902404489.db2.gz	LPZHQNFBEVYWBK-FUHWJXTLSA-N	1	0	352.413	1.799	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(=O)N2CCCC2)C(C)(C)C1	ZINC000995817195	902414323	/nfs/dbraw/zinc/41/43/23/902414323.db2.gz	XUAXQDASCJDWGU-IXDOHACOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]C[C@H](C)O)C2)nc1	ZINC001079318804	902419291	/nfs/dbraw/zinc/41/92/91/902419291.db2.gz	YLHNJAHLWOLQDZ-GZRFBZBPSA-N	1	0	367.424	1.781	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)N2CCOCC2)C[C@H]1c1ccccc1F	ZINC001079325977	902428739	/nfs/dbraw/zinc/42/87/39/902428739.db2.gz	UUCNPSBASIIHOX-VDZJLULYSA-N	1	0	359.445	1.064	20	30		FDEDRO
C=C(Br)CN1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1	ZINC001084409346	914637819	/nfs/dbraw/zinc/63/78/19/914637819.db2.gz	UGNICOZGAVZTLO-UKRRQHHQSA-N	1	0	356.308	1.912	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)Cc1ccon1	ZINC001079501133	902672519	/nfs/dbraw/zinc/67/25/19/902672519.db2.gz	ZTABYWFIWRTBHI-RDTXWAMCSA-N	1	0	354.410	1.756	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC001079542378	902776405	/nfs/dbraw/zinc/77/64/05/902776405.db2.gz	SBOYLZBMFZHWAN-SJKOYZFVSA-N	1	0	363.425	1.418	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC001079601297	902900024	/nfs/dbraw/zinc/90/00/24/902900024.db2.gz	RNIITPQVYIKZGQ-NXOUGTEYSA-N	1	0	356.401	1.809	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1(C)C	ZINC000996077554	903096884	/nfs/dbraw/zinc/09/68/84/903096884.db2.gz	GONQIGWOSASUGH-FGTMMUONSA-N	1	0	365.518	1.269	20	30		FDEDRO
C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C)N1C(=O)CCC1=O	ZINC001079803527	903380134	/nfs/dbraw/zinc/38/01/34/903380134.db2.gz	ZNSMUBQZIOTITJ-CKEIUWERSA-N	1	0	368.437	1.032	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1CC(N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)OCC	ZINC001079860197	903548508	/nfs/dbraw/zinc/54/85/08/903548508.db2.gz	WPSUWQCFJFITQN-NXHRZFHOSA-N	1	0	365.518	1.757	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C	ZINC001079878094	903601043	/nfs/dbraw/zinc/60/10/43/903601043.db2.gz	FRVOMADVIXJNBF-AHRSYUTCSA-N	1	0	350.466	1.592	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1	ZINC000996313753	903676998	/nfs/dbraw/zinc/67/69/98/903676998.db2.gz	GPALGHWYENWGRB-BZSNNMDCSA-N	1	0	361.486	1.169	20	30		FDEDRO
COC1CC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]2C)C1	ZINC001079920730	903716984	/nfs/dbraw/zinc/71/69/84/903716984.db2.gz	NPNWPBIHCJPVKZ-WLHONDITSA-N	1	0	357.454	1.950	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1CCn2ccnc2C1	ZINC001079991507	903821585	/nfs/dbraw/zinc/82/15/85/903821585.db2.gz	KDUCIJAFLKFMFU-AYOQOUSVSA-N	1	0	363.465	1.954	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)Cc2cccc(S(=O)(=O)CC)c2)CC1	ZINC000764159323	903830362	/nfs/dbraw/zinc/83/03/62/903830362.db2.gz	VJCBHDMTUBIRNT-UHFFFAOYSA-N	1	0	362.495	1.627	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(C#N)c[nH]1	ZINC000996404976	903864676	/nfs/dbraw/zinc/86/46/76/903864676.db2.gz	WSUJDUIPGAPOMJ-FZCLSBEQSA-N	1	0	369.469	1.621	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1CN([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1OC	ZINC001212349502	904001671	/nfs/dbraw/zinc/00/16/71/904001671.db2.gz	YVPAIPLIMCFBMD-OWCLPIDISA-N	1	0	351.491	1.558	20	30		FDEDRO
C#Cc1cncc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[NH+]2CCCC2)C3)c1	ZINC000996561771	904147473	/nfs/dbraw/zinc/14/74/73/904147473.db2.gz	GGWIBZYIUBIOTR-SQNIBIBYSA-N	1	0	352.438	1.020	20	30		FDEDRO
CC(=O)N[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccc1C#N)CC2	ZINC001107267298	904231007	/nfs/dbraw/zinc/23/10/07/904231007.db2.gz	CCFXVCGWSWILBO-QFIXIFRTSA-N	1	0	368.481	1.944	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(C)C)CC2	ZINC001107318583	904443016	/nfs/dbraw/zinc/44/30/16/904443016.db2.gz	QRLQANKJPPQNDE-FRQCXROJSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCCC)CC2	ZINC001107318757	904445519	/nfs/dbraw/zinc/44/55/19/904445519.db2.gz	YOCKOADTTFCGEV-MBOZVWFJSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC[C@H]1CCOC1)CC2	ZINC001107327211	904483747	/nfs/dbraw/zinc/48/37/47/904483747.db2.gz	SMVVBHXAEGRKKX-MBOZVWFJSA-N	1	0	363.502	1.466	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCNC(=O)NC(C)C)CC2	ZINC001107328841	904491313	/nfs/dbraw/zinc/49/13/13/904491313.db2.gz	AJTJPZPGXSDMOZ-VQIMIIECSA-N	1	0	366.506	1.257	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1N(CC(=O)NCC(F)(F)F)CC2	ZINC001107329558	904496766	/nfs/dbraw/zinc/49/67/66/904496766.db2.gz	ZHYVCIOMUBKTCE-LALPHHSUSA-N	1	0	360.380	1.185	20	30		FDEDRO
CCS(=O)(=O)CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)C#N)CCC[C@@H]12	ZINC001107338648	904513687	/nfs/dbraw/zinc/51/36/87/904513687.db2.gz	SRRBVEBUNORHEO-BFYDXBDKSA-N	1	0	355.504	1.332	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@]3(CNC(=O)Cc4cc[nH]n4)CCC[C@@H]23)C1=O	ZINC001107347232	904543352	/nfs/dbraw/zinc/54/33/52/904543352.db2.gz	DDJAAOBDLSJGPD-SQGPQFPESA-N	1	0	371.485	1.100	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3C(C)(C)C3(C)C)CCC[C@@H]12	ZINC001107347493	904545573	/nfs/dbraw/zinc/54/55/73/904545573.db2.gz	RFPOZOGXUNKBSM-QVKFZJNVSA-N	1	0	359.514	1.779	20	30		FDEDRO
CCCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C#N)c[nH]3)CCC[C@@H]12	ZINC001107349428	904550902	/nfs/dbraw/zinc/55/09/02/904550902.db2.gz	AIFNKWNYXCQGEV-VQIMIIECSA-N	1	0	357.458	1.387	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ncccc3C)CCC[C@@H]12	ZINC001107349703	904553385	/nfs/dbraw/zinc/55/33/85/904553385.db2.gz	NJYLXARRIJCTNX-OXQOHEQNSA-N	1	0	354.454	1.114	20	30		FDEDRO
C=CCOCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2	ZINC001107350292	904554192	/nfs/dbraw/zinc/55/41/92/904554192.db2.gz	HALGZMQRMJJWHA-IEBWSBKVSA-N	1	0	354.491	1.339	20	30		FDEDRO
C=CCOCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCC1)CC2	ZINC001107350832	904554893	/nfs/dbraw/zinc/55/48/93/904554893.db2.gz	PRRGWZLEBBZPOD-YLJYHZDGSA-N	1	0	363.502	1.562	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(F)cn3)CCC[C@@H]12	ZINC001107367840	904625843	/nfs/dbraw/zinc/62/58/43/904625843.db2.gz	JOPLPJAHJLIESG-VQIMIIECSA-N	1	0	360.433	1.497	20	30		FDEDRO
COc1ccc(CN2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@H](OC)C2)cc1C	ZINC001081507127	904717992	/nfs/dbraw/zinc/71/79/92/904717992.db2.gz	GQBATVZMFZYBKK-IEBWSBKVSA-N	1	0	368.437	1.833	20	30		FDEDRO
O=C(C#CC1CC1)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCCCC1)CC2	ZINC001107398253	904719733	/nfs/dbraw/zinc/71/97/33/904719733.db2.gz	MKCXUFYYADEMAR-WIYYLYMNSA-N	1	0	357.498	1.773	20	30		FDEDRO
C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnnn1CC)CC2	ZINC001107402694	904739666	/nfs/dbraw/zinc/73/96/66/904739666.db2.gz	PBLCHVLBTZIRJI-SZVBFZGTSA-N	1	0	359.474	1.197	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc(OC)ns3)CCC[C@@H]12	ZINC001107410497	904744451	/nfs/dbraw/zinc/74/44/51/904744451.db2.gz	HFZIWSSHTBGELE-CRAIPNDOSA-N	1	0	363.483	1.776	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3cc(OC)ncn3)CCC[C@@H]12	ZINC001107409561	904771235	/nfs/dbraw/zinc/77/12/35/904771235.db2.gz	YGVCZHPJRICFSR-VQIMIIECSA-N	1	0	360.458	1.662	20	30		FDEDRO
COc1cccc(C[N@@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@H](OC)C2)c1C	ZINC001081563631	904772008	/nfs/dbraw/zinc/77/20/08/904772008.db2.gz	XZCCNHBHUSXFEH-IEBWSBKVSA-N	1	0	368.437	1.833	20	30		FDEDRO
COCc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@H](OC)C2)cc1	ZINC001081563586	904772544	/nfs/dbraw/zinc/77/25/44/904772544.db2.gz	WCHRTHBSGRYSKL-RTBURBONSA-N	1	0	368.437	1.662	20	30		FDEDRO
CO[C@@H]1C[N@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC001081540538	904798305	/nfs/dbraw/zinc/79/83/05/904798305.db2.gz	HDHOKRBXAPBTQL-KCPJHIHWSA-N	1	0	352.385	1.751	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C)nc(C)c3)CCC[C@@H]12	ZINC001107419332	904799914	/nfs/dbraw/zinc/79/99/14/904799914.db2.gz	RCZOKUWEKLDXHW-WIYYLYMNSA-N	1	0	370.497	1.975	20	30		FDEDRO
CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](OC)C1)C1CCCC1	ZINC001081540932	904800495	/nfs/dbraw/zinc/80/04/95/904800495.db2.gz	XNFIUAJIPQGTLH-FGTMMUONSA-N	1	0	360.458	1.521	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2	ZINC001107410729	904802496	/nfs/dbraw/zinc/80/24/96/904802496.db2.gz	NINTXQNCQIZAOR-AJYBTWMASA-N	1	0	366.502	1.337	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC(F)(F)C3)CCC[C@@H]12	ZINC001107429498	904868181	/nfs/dbraw/zinc/86/81/81/904868181.db2.gz	OUUJYCWVEWFFGW-CKEIUWERSA-N	1	0	368.428	1.422	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3cnn4ccncc34)CCC[C@@H]12	ZINC001107436898	904905520	/nfs/dbraw/zinc/90/55/20/904905520.db2.gz	XKMGZQBGARQMHO-UYAOXDASSA-N	1	0	369.469	1.906	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCC=C)CC2	ZINC001107439900	904923046	/nfs/dbraw/zinc/92/30/46/904923046.db2.gz	ZDFYZDGTICRAAW-QKNQBKEWSA-N	1	0	359.514	1.647	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3ccc4c(c3)NC(=O)C4)CCC[C@@H]12	ZINC001107439692	904923242	/nfs/dbraw/zinc/92/32/42/904923242.db2.gz	MSDKXWNNIQPBEK-WIYYLYMNSA-N	1	0	351.450	1.718	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3cnccc3C)CCC[C@@H]12	ZINC001107441186	904928179	/nfs/dbraw/zinc/92/81/79/904928179.db2.gz	QJBMDZLVHVMEAK-WIYYLYMNSA-N	1	0	368.481	1.043	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001081691901	904938131	/nfs/dbraw/zinc/93/81/31/904938131.db2.gz	XIHAPJJSLSXBON-ZQNRLITLSA-N	1	0	374.460	1.353	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001081691919	904938767	/nfs/dbraw/zinc/93/87/67/904938767.db2.gz	YFIRJISXASEQHW-BASLNEPJSA-N	1	0	362.499	1.275	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC3(F)F)CCC[C@@H]12	ZINC001107446852	904964339	/nfs/dbraw/zinc/96/43/39/904964339.db2.gz	WDLSFOGRKQMBIT-CKEIUWERSA-N	1	0	355.429	1.695	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)COCc3ccc(OC)nc3)CCC[C@@H]12	ZINC001107448504	904965581	/nfs/dbraw/zinc/96/55/81/904965581.db2.gz	KMYQNQISELWTTB-YLJYHZDGSA-N	1	0	357.454	1.601	20	30		FDEDRO
N#Cc1cccc(NC(=O)CONC(=[NH2+])[C@H]2COc3ccccc3O2)c1	ZINC000764577664	905093795	/nfs/dbraw/zinc/09/37/95/905093795.db2.gz	MYROIQZUXRFVIW-MRXNPFEDSA-N	1	0	352.350	1.835	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccn4nnnc4c3)CCC[C@@H]12	ZINC001107494454	905192551	/nfs/dbraw/zinc/19/25/51/905192551.db2.gz	HYQYLPMSTVTZTA-VQIMIIECSA-N	1	0	370.457	1.301	20	30		FDEDRO
C[C@@H](CC(N)=O)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2	ZINC001107499141	905232846	/nfs/dbraw/zinc/23/28/46/905232846.db2.gz	BCUSLFVQUFNIDK-LRXVAGHRSA-N	1	0	367.493	1.910	20	30		FDEDRO
C=CC(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H](O)COCCOC)CC2	ZINC001107503094	905259798	/nfs/dbraw/zinc/25/97/98/905259798.db2.gz	SBEIQCQREUVIOQ-SQGPQFPESA-N	1	0	368.518	1.583	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(CC)C(=O)C2(C[NH+](C)C)CC2)C1	ZINC001080380543	905287806	/nfs/dbraw/zinc/28/78/06/905287806.db2.gz	YDDYBLSJGAVBKT-SJORKVTESA-N	1	0	363.502	1.369	20	30		FDEDRO
Cc1ncccc1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107522732	905303549	/nfs/dbraw/zinc/30/35/49/905303549.db2.gz	QLYDTJDBKCTBMV-VQIMIIECSA-N	1	0	355.442	1.004	20	30		FDEDRO
C=CCCN1CC[NH+](C2CCC(NC(=O)[C@H]3OCCO[C@H]3C)CC2)CC1	ZINC000996777132	905306136	/nfs/dbraw/zinc/30/61/36/905306136.db2.gz	UFOUDJIFMQQUMZ-RGVPCPSESA-N	1	0	365.518	1.411	20	30		FDEDRO
C#CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3CCCO[C@H]3C=C)CC2)CC1	ZINC000996775205	905312008	/nfs/dbraw/zinc/31/20/08/905312008.db2.gz	FNHYDKYUBSYYID-TUNPWDSISA-N	1	0	359.514	1.646	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3CCC(F)CC3)CCC[C@@H]12	ZINC001107533679	905402091	/nfs/dbraw/zinc/40/20/91/905402091.db2.gz	ADHICRPSWZWMGW-AEBIURJHSA-N	1	0	363.477	1.625	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@]34C[C@H]3CCCC4)CCC[C@@H]12	ZINC001107538297	905435481	/nfs/dbraw/zinc/43/54/81/905435481.db2.gz	LDQJBLBAUCLVKY-DEPWHIHDSA-N	1	0	357.498	1.677	20	30		FDEDRO
CC#CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)CC1	ZINC000996786601	905475293	/nfs/dbraw/zinc/47/52/93/905475293.db2.gz	QJILMOPNYIFBRF-LHBDJYESSA-N	1	0	373.541	1.870	20	30		FDEDRO
C=CCN1CC[NH+](C2CCC(NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)CC1	ZINC000996789049	905528026	/nfs/dbraw/zinc/52/80/26/905528026.db2.gz	ODVVNSSDIYXBKH-VEZWFGLTSA-N	1	0	362.518	1.119	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](NC(=O)C2CCN(C(=O)C(C)C)CC2)[C@H](OC)C1	ZINC001082009753	905544332	/nfs/dbraw/zinc/54/43/32/905544332.db2.gz	SNBIXOXRRLOMJT-IAGOWNOFSA-N	1	0	351.491	1.273	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)COC[C@@H]3CCOC3)CCC[C@@H]12	ZINC001107564423	905664930	/nfs/dbraw/zinc/66/49/30/905664930.db2.gz	VLMKHEZNHUYCRY-QWFCFKBJSA-N	1	0	364.486	1.050	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cnccc3C)C[C@H]2C)nn1	ZINC001080584659	905746438	/nfs/dbraw/zinc/74/64/38/905746438.db2.gz	ITDUAUHHEKGCFQ-NVXWUHKLSA-N	1	0	354.458	1.808	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CC(C)(C)CO3)C[C@H]2C)nn1	ZINC001080589671	905758102	/nfs/dbraw/zinc/75/81/02/905758102.db2.gz	GAPSFSNCOFJMAQ-OWCLPIDISA-N	1	0	361.490	1.719	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3cn(CCC)nn3)CCC[C@@H]12	ZINC001107588565	905798552	/nfs/dbraw/zinc/79/85/52/905798552.db2.gz	LZNPQBSWVOLSLD-IEBWSBKVSA-N	1	0	361.490	1.865	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)Cn3c(C)cc(C)nc3=O)CCC[C@@H]12	ZINC001107591053	905814334	/nfs/dbraw/zinc/81/43/34/905814334.db2.gz	PTZIXARZHLGSJH-YLJYHZDGSA-N	1	0	358.486	1.797	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CCc3scnc3C)C[C@H]2OC)c1	ZINC001082116874	905827096	/nfs/dbraw/zinc/82/70/96/905827096.db2.gz	BBOVKKJXEAOODL-IAGOWNOFSA-N	1	0	370.478	1.500	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ncoc3C3CC3)CCC[C@@H]12	ZINC001107596385	905855434	/nfs/dbraw/zinc/85/54/34/905855434.db2.gz	CTHSWVPXUUSWTM-AUUYWEPGSA-N	1	0	371.441	1.166	20	30		FDEDRO
N#Cc1ccccc1C[N@@H+]1CC[C@@]2(CNC(=O)Cc3nc[nH]n3)CCC[C@@H]12	ZINC001107604612	905948482	/nfs/dbraw/zinc/94/84/82/905948482.db2.gz	ZIYITIWSLFLUAE-YLJYHZDGSA-N	1	0	364.453	1.780	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2N(C)C)C[C@H]1OC	ZINC001082146425	905982827	/nfs/dbraw/zinc/98/28/27/905982827.db2.gz	DUIZNMATRNWGLO-IZBJGVDFSA-N	1	0	373.497	1.659	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)CC[C@@H]3NC(=O)NC3=O)CCC[C@@H]12	ZINC001107627946	906095970	/nfs/dbraw/zinc/09/59/70/906095970.db2.gz	JKHPNXHEWHGGTQ-OGHNNQOOSA-N	1	0	368.865	1.088	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](C[C@H](Cc3ccccc3)OC)C[C@H]2O)C1	ZINC001077643913	906163980	/nfs/dbraw/zinc/16/39/80/906163980.db2.gz	LHHFPCHHEJMNRV-IPMKNSEASA-N	1	0	358.482	1.762	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)COc3ccc(C(N)=O)cc3)CCC[C@@H]12	ZINC001107638839	906186444	/nfs/dbraw/zinc/18/64/44/906186444.db2.gz	OTHGWBNPCMQEHC-WIYYLYMNSA-N	1	0	369.465	1.548	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCc1ccnn1C)CC2	ZINC001107650933	906226920	/nfs/dbraw/zinc/22/69/20/906226920.db2.gz	MTFWDTZTMSEQBV-ILZDJORESA-N	1	0	360.502	1.915	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)CS(C)(=O)=O)CCC[C@@H]12	ZINC001107650860	906227520	/nfs/dbraw/zinc/22/75/20/906227520.db2.gz	LMVVWHXCXBWAMF-CRAIPNDOSA-N	1	0	356.532	1.994	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCCOC(C)C)CCC[C@@H]12	ZINC001107652351	906242402	/nfs/dbraw/zinc/24/24/02/906242402.db2.gz	PLHJLGFHHCOEQU-YLJYHZDGSA-N	1	0	365.518	1.855	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(F)s3)CCC[C@@H]12	ZINC001107649160	906280768	/nfs/dbraw/zinc/28/07/68/906280768.db2.gz	JQAAYSYPPNAUMF-RDTXWAMCSA-N	1	0	363.458	1.611	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CC(C)C)C(N)=O)CCC[C@@H]12	ZINC001107656482	906299223	/nfs/dbraw/zinc/29/92/23/906299223.db2.gz	SMWJYAPKVRADPJ-SQGPQFPESA-N	1	0	363.502	1.145	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C)c3)C[C@H]2OC)nn1	ZINC001082219121	906323658	/nfs/dbraw/zinc/32/36/58/906323658.db2.gz	WBVMDKAIVRRFGE-IEBWSBKVSA-N	1	0	369.469	1.792	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)c3ccccc3F)C[C@H]2C)nc1	ZINC001080810705	906364370	/nfs/dbraw/zinc/36/43/70/906364370.db2.gz	ZAPLJSBPGPSKMO-XMCHAPAWSA-N	1	0	367.424	1.986	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cc2cn3cccc(C)c3n2)[C@H](OC)C1	ZINC001082238762	906367108	/nfs/dbraw/zinc/36/71/08/906367108.db2.gz	JYIXKWPSWZQJEP-QZTJIDSGSA-N	1	0	356.470	1.967	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2csc(-c3nc[nH]n3)n2)[C@H](OC)C1	ZINC001082231252	906435626	/nfs/dbraw/zinc/43/56/26/906435626.db2.gz	GDEVLOMVAQGXDS-DGCLKSJQSA-N	1	0	362.459	1.323	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1CCCN1C(N)=O	ZINC001081045264	907098187	/nfs/dbraw/zinc/09/81/87/907098187.db2.gz	KANUZTPOFWYBHX-XYPHTWIQSA-N	1	0	355.442	1.038	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc(C)nc2OC)C[C@H]1c1ccccc1	ZINC001081124656	907185125	/nfs/dbraw/zinc/18/51/25/907185125.db2.gz	QHVJLPCFXJXNIP-ZWKOTPCHSA-N	1	0	350.422	1.625	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)C[C@H]1c1ccccc1	ZINC001081135317	907238681	/nfs/dbraw/zinc/23/86/81/907238681.db2.gz	QKGZQPAMKDWVIQ-IXDOHACOSA-N	1	0	367.453	1.316	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1c1ccccc1	ZINC001081137718	907241973	/nfs/dbraw/zinc/24/19/73/907241973.db2.gz	MCYGBXOQGBHKPI-YESZJQIVSA-N	1	0	361.873	1.849	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1c1ccccc1	ZINC001081141476	907251152	/nfs/dbraw/zinc/25/11/52/907251152.db2.gz	RQRHNSCTLZEMTI-DLBZAZTESA-N	1	0	355.438	1.296	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+]C[C@H]2CCNC(=O)CC2)CC1	ZINC000997086275	907263030	/nfs/dbraw/zinc/26/30/30/907263030.db2.gz	YNEMNRLADXPOHM-AYBZRNKSSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnnn2CC)CC1	ZINC000997086774	907264935	/nfs/dbraw/zinc/26/49/35/907264935.db2.gz	VIYKGATZVDANNY-ROUUACIJSA-N	1	0	361.490	1.750	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(N)=O)C1	ZINC001081218938	907329092	/nfs/dbraw/zinc/32/90/92/907329092.db2.gz	BKQJYILEZYDNOC-VQTJNVASSA-N	1	0	361.445	1.280	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@H]1c1ccccc1	ZINC001081224671	907337703	/nfs/dbraw/zinc/33/77/03/907337703.db2.gz	UOEBSMXLYBEJPV-DLBZAZTESA-N	1	0	355.438	1.296	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCCN2C(=O)C(C)C)[C@H](OC)C1	ZINC001082382375	907365322	/nfs/dbraw/zinc/36/53/22/907365322.db2.gz	ATSCUYZAFPMZNV-BRWVUGGUSA-N	1	0	351.491	1.415	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc(C3CC3)[nH]c2=O)C[C@H]1c1ccccc1	ZINC001081193234	907371726	/nfs/dbraw/zinc/37/17/26/907371726.db2.gz	PBPWIGFHMUKAPW-ZWKOTPCHSA-N	1	0	362.433	1.891	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN(C(=O)CCC)C2)[C@H](OC)C1	ZINC001082383134	907374214	/nfs/dbraw/zinc/37/42/14/907374214.db2.gz	JVJKMYBMCQYIAV-RCCFBDPRSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2c3ccccc3NC2=O)[C@H](OC)C1	ZINC001082394073	907476864	/nfs/dbraw/zinc/47/68/64/907476864.db2.gz	TUDVPPJZBVQCLK-CGTJXYLNSA-N	1	0	357.454	1.894	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ccc(=O)[nH]n3)C[C@H]2C)cc1C#N	ZINC001082413793	907636477	/nfs/dbraw/zinc/63/64/77/907636477.db2.gz	SZFLYVVDSLLERT-MLGOLLRUSA-N	1	0	367.409	1.313	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)CC1	ZINC001060800946	907685818	/nfs/dbraw/zinc/68/58/18/907685818.db2.gz	JYRWOMFZODYUOA-TVFCKZIOSA-N	1	0	365.518	1.711	20	30		FDEDRO
Cc1nn(C)cc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1	ZINC001082451576	907731428	/nfs/dbraw/zinc/73/14/28/907731428.db2.gz	IUXCSRPHUFSMHH-KZULUSFZSA-N	1	0	355.417	1.990	20	30		FDEDRO
CC(C)Cc1noc(CN[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)n1	ZINC001082464377	907898983	/nfs/dbraw/zinc/89/89/83/907898983.db2.gz	MFFJVYJDFARTOP-IUODEOHRSA-N	1	0	356.430	1.718	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1[NH2+]Cc1ccc2nonc2c1	ZINC001082464931	907900244	/nfs/dbraw/zinc/90/02/44/907900244.db2.gz	RYJLXHPBZCSHRF-PIGZYNQJSA-N	1	0	350.382	1.673	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1C	ZINC001082490858	907999584	/nfs/dbraw/zinc/99/95/84/907999584.db2.gz	KKMVVTJSUQWIMN-RDTXWAMCSA-N	1	0	367.453	1.480	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2ncc[nH]2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082492365	908010696	/nfs/dbraw/zinc/01/06/96/908010696.db2.gz	QVNKEFSYMFESGJ-CXAGYDPISA-N	1	0	355.417	1.990	20	30		FDEDRO
Cc1cn(C)nc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1	ZINC001082505851	908127442	/nfs/dbraw/zinc/12/74/42/908127442.db2.gz	MWGCEHUOTUTLGM-SJKOYZFVSA-N	1	0	355.417	1.990	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2CN(Cc3cncs3)C[C@H]2O)cc1	ZINC001077797967	908145478	/nfs/dbraw/zinc/14/54/78/908145478.db2.gz	RYSVSIGCWWBFPY-IAGOWNOFSA-N	1	0	357.435	1.130	20	30		FDEDRO
C[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC[NH+](CC#Cc2ccc(F)cc2)CC1	ZINC000997307589	908224090	/nfs/dbraw/zinc/22/40/90/908224090.db2.gz	NMFVCEXBWVASBJ-ZMYBRWDISA-N	1	0	371.456	1.515	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CC3CCC(F)(F)CC3)C[C@H]2O)nn1	ZINC001077801070	908297147	/nfs/dbraw/zinc/29/71/47/908297147.db2.gz	BCJZJZVGKWVBEO-UKRRQHHQSA-N	1	0	369.416	1.065	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccnn3CCC)C[C@H]2C)C1=O	ZINC001082535577	908316450	/nfs/dbraw/zinc/31/64/50/908316450.db2.gz	IGHSQEDCKDMVRK-OWCLPIDISA-N	1	0	359.474	1.130	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCC(=O)NC2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082555036	908550440	/nfs/dbraw/zinc/55/04/40/908550440.db2.gz	PKRFHWPEAZSIGF-XJKCOSOUSA-N	1	0	360.483	1.473	20	30		FDEDRO
Cc1nn(C)cc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001082563814	908657055	/nfs/dbraw/zinc/65/70/55/908657055.db2.gz	AMKVSYJKHQWIGP-AUUYWEPGSA-N	1	0	351.454	1.779	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cn(C(C)C)nc2C)C1	ZINC001082568775	908713276	/nfs/dbraw/zinc/71/32/76/908713276.db2.gz	RBUTXUBLNKAWJK-AHRSYUTCSA-N	1	0	371.529	1.807	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@]2(CC)CCNC2=O)C[C@H]1C	ZINC001082571029	908733906	/nfs/dbraw/zinc/73/39/06/908733906.db2.gz	MNUQMDFKSZHNJL-HCKVZZMMSA-N	1	0	358.280	1.248	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1C	ZINC001082615177	909055019	/nfs/dbraw/zinc/05/50/19/909055019.db2.gz	LUXPBFNMQGCXTI-ZWNOBZJWSA-N	1	0	354.248	1.344	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1CN(Cc2cc(C)ncn2)C[C@H]1OC)OCC	ZINC001212354617	909067433	/nfs/dbraw/zinc/06/74/33/909067433.db2.gz	DIXOFJFBTQXTQH-FGTMMUONSA-N	1	0	362.474	1.472	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)C(=O)Nc2ccccc2)C[C@H]1C	ZINC001082616500	909068924	/nfs/dbraw/zinc/06/89/24/909068924.db2.gz	DBKZRNHXSHUZDE-BXUZGUMPSA-N	1	0	366.259	1.970	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1OC)OCC	ZINC001212354730	909069652	/nfs/dbraw/zinc/06/96/52/909069652.db2.gz	IFDDOIZRDVIHQB-FGTMMUONSA-N	1	0	354.491	1.742	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cn3cccnc3n2)C[C@H]1C	ZINC001082616834	909071313	/nfs/dbraw/zinc/07/13/13/909071313.db2.gz	BPRLQDLHNIAQAQ-ZYHUDNBSSA-N	1	0	364.247	1.688	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082627988	909157249	/nfs/dbraw/zinc/15/72/49/909157249.db2.gz	IAYIDHYHMNTJNY-ZTFGCOKTSA-N	1	0	369.469	1.285	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cccc4nccn43)C[C@H]2C)C1=O	ZINC001082640576	909264300	/nfs/dbraw/zinc/26/43/00/909264300.db2.gz	HIDZRCDGOWAPFS-OWCLPIDISA-N	1	0	367.453	1.171	20	30		FDEDRO
Cc1cc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3F)C2)n(C)n1	ZINC001082641315	909272432	/nfs/dbraw/zinc/27/24/32/909272432.db2.gz	FEIGEBQNGZYJMS-BFUOFWGJSA-N	1	0	369.444	1.919	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3CC)C[C@H]2O)nn1	ZINC001077813113	909302715	/nfs/dbraw/zinc/30/27/15/909302715.db2.gz	ZYTVZVWGIFDBFI-IEBWSBKVSA-N	1	0	369.469	1.392	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCc2cccc(OC)c2)C[C@@H]1O	ZINC001083789952	909469179	/nfs/dbraw/zinc/46/91/79/909469179.db2.gz	GUQMJJMMJVEHDM-ZRNYENFQSA-N	1	0	374.481	1.380	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(CCC)cc2)C[C@@H]1O	ZINC001083790004	909501525	/nfs/dbraw/zinc/50/15/25/909501525.db2.gz	JSLPHEALACCCDU-ZRNYENFQSA-N	1	0	358.482	1.892	20	30		FDEDRO
Cc1noc(CCC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)n1	ZINC001082675010	909526745	/nfs/dbraw/zinc/52/67/45/909526745.db2.gz	QDBDZCPQKKQRMT-SJKOYZFVSA-N	1	0	371.416	1.958	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082688966	909578487	/nfs/dbraw/zinc/57/84/87/909578487.db2.gz	UOYWTNJTKGNLGQ-JLZZUVOBSA-N	1	0	358.417	1.255	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082689083	909580178	/nfs/dbraw/zinc/58/01/78/909580178.db2.gz	ZQQILIGVJKDWDG-JLZZUVOBSA-N	1	0	358.417	1.255	20	30		FDEDRO
CC(C)N1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1	ZINC001082702946	909626014	/nfs/dbraw/zinc/62/60/14/909626014.db2.gz	QELGWHVJGXBTNW-NSISKUIASA-N	1	0	370.497	1.604	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)C[C@H]1C	ZINC001082697051	909651394	/nfs/dbraw/zinc/65/13/94/909651394.db2.gz	JBZYIRARVCILRX-HCKVZZMMSA-N	1	0	358.280	1.248	20	30		FDEDRO
N#CCOc1ccc(C[NH2+]CC2CCN(C(=O)[C@]34C[C@H]3COC4)CC2)cc1	ZINC000997796665	909724865	/nfs/dbraw/zinc/72/48/65/909724865.db2.gz	OCPKZWKXKLLSBG-RXVVDRJESA-N	1	0	369.465	1.954	20	30		FDEDRO
C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1	ZINC000997793436	909726030	/nfs/dbraw/zinc/72/60/30/909726030.db2.gz	ICTHRXRUYOLNFF-ZAAXVRCTSA-N	1	0	368.481	1.451	20	30		FDEDRO
C[C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082708160	909742135	/nfs/dbraw/zinc/74/21/35/909742135.db2.gz	YVBMTFASUBUBHF-FZKQIMNGSA-N	1	0	371.416	1.446	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082725249	909844086	/nfs/dbraw/zinc/84/40/86/909844086.db2.gz	TZFIDAKWNHVVJO-ZTQAJYAQSA-N	1	0	370.453	1.194	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082737710	909915036	/nfs/dbraw/zinc/91/50/36/909915036.db2.gz	LGLGITVSNLZJHW-FXHACXQTSA-N	1	0	358.417	1.160	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2(COC)CCOCC2)[C@H](OC)C1	ZINC001212379614	909933787	/nfs/dbraw/zinc/93/37/87/909933787.db2.gz	HLDYEIDJUNMAQN-GVDBMIGSSA-N	1	0	354.491	1.600	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)C2(COC)CCOCC2)[C@H](OC)C1	ZINC001212379645	909935551	/nfs/dbraw/zinc/93/55/51/909935551.db2.gz	IWYLSPQDHYPMCG-QZTJIDSGSA-N	1	0	368.518	1.991	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCCC2)C1	ZINC001082793868	910201957	/nfs/dbraw/zinc/20/19/57/910201957.db2.gz	GBPAEJHDDGHMAK-NTDBWNAOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C3)cn1	ZINC000998073132	910292039	/nfs/dbraw/zinc/29/20/39/910292039.db2.gz	RSKFHZUWGUOTEO-XWSJACJDSA-N	1	0	366.465	1.409	20	30		FDEDRO
CC[C@H]1CCCN1C(=O)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001082848160	910437097	/nfs/dbraw/zinc/43/70/97/910437097.db2.gz	KPJPPDQBFPYOCB-AYOQOUSVSA-N	1	0	368.481	1.896	20	30		FDEDRO
COCc1nocc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001082855558	910483975	/nfs/dbraw/zinc/48/39/75/910483975.db2.gz	CQFFTCRDGSTCCC-CXAGYDPISA-N	1	0	354.410	1.943	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCC(C)CC3)C2)cn1	ZINC001082870116	910515377	/nfs/dbraw/zinc/51/53/77/910515377.db2.gz	ACCIQTQSVPJMCZ-VQIMIIECSA-N	1	0	368.481	1.372	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H]3CCN(C(C)(C)C)C3=O)C2)cn1	ZINC001082870791	910519682	/nfs/dbraw/zinc/51/96/82/910519682.db2.gz	LWMLZNAYAXYYAS-FHLIZLRMSA-N	1	0	368.481	1.512	20	30		FDEDRO
C#Cc1cccc(NC(=S)NNC(=S)NC[C@H]2CCC[N@H+]2CC)c1	ZINC000727289802	910746517	/nfs/dbraw/zinc/74/65/17/910746517.db2.gz	JVAZIBCJDPGILA-OAHLLOKOSA-N	1	0	361.540	1.818	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC(=O)NC2)[C@H](OC)C1	ZINC001212395853	910750657	/nfs/dbraw/zinc/75/06/57/910750657.db2.gz	QEXFXJIRTCGJBF-GVDBMIGSSA-N	1	0	353.507	1.689	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082903635	910794110	/nfs/dbraw/zinc/79/41/10/910794110.db2.gz	UCCJFAAAJMMITO-SJKOYZFVSA-N	1	0	369.400	1.041	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN2CCCC2=O)cc1	ZINC001085130105	921606359	/nfs/dbraw/zinc/60/63/59/921606359.db2.gz	XOUSHDMGUQGIGW-QZTJIDSGSA-N	1	0	354.454	1.698	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cccnc2C(N)=O)C[C@H]1C	ZINC001082936083	910971787	/nfs/dbraw/zinc/97/17/87/910971787.db2.gz	OQKGXIKTLMAHGQ-BXKDBHETSA-N	1	0	367.247	1.139	20	30		FDEDRO
COC(=O)CN1CCC([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000273038456	910974465	/nfs/dbraw/zinc/97/44/65/910974465.db2.gz	FVUSLCDTCKLTOP-GOSISDBHSA-N	1	0	370.453	1.281	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3COc4cc(F)ccc4C3)[C@H]2C1	ZINC001083080057	911941865	/nfs/dbraw/zinc/94/18/65/911941865.db2.gz	DTEYDHRQIREJED-HHXXYDBFSA-N	1	0	358.413	1.312	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)Cc3nn(C)c4ccccc34)[C@H]2C1	ZINC001083082573	911947069	/nfs/dbraw/zinc/94/70/69/911947069.db2.gz	BPONHCNMGMEEKV-RBUKOAKNSA-N	1	0	354.454	1.604	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn(-c4ccccc4)n3)[C@H]2C1	ZINC001083130369	912122634	/nfs/dbraw/zinc/12/26/34/912122634.db2.gz	LUZYIWGLBMADBD-RBUKOAKNSA-N	1	0	352.438	1.974	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cncnc2C)C1=O	ZINC001085142122	921730619	/nfs/dbraw/zinc/73/06/19/921730619.db2.gz	KDRHBQZVDCOGFQ-BRWVUGGUSA-N	1	0	357.458	1.203	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1cnn(C)c1	ZINC001085146467	921774565	/nfs/dbraw/zinc/77/45/65/921774565.db2.gz	NYQPMTYPIMVHDV-ZIAGYGMSSA-N	1	0	355.280	1.888	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](CCCN3C(=O)CNC3=O)C[C@H]21	ZINC001084634780	915777596	/nfs/dbraw/zinc/77/75/96/915777596.db2.gz	DNSJJDBHQJNKBF-SPYBWZPUSA-N	1	0	362.474	1.063	20	30		FDEDRO
C#CCN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(C)cc1	ZINC000730138283	916182739	/nfs/dbraw/zinc/18/27/39/916182739.db2.gz	KLZFLSDJQVFFRT-MRXNPFEDSA-N	1	0	372.494	1.628	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@H]3CC[N@H+](C[C@@H]4CCOC4)C[C@H]32)cc1	ZINC001084708849	916394182	/nfs/dbraw/zinc/39/41/82/916394182.db2.gz	WTEMGFLWOSSSKM-ILZDJORESA-N	1	0	354.450	1.881	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NCc1ccc(OCC[NH+](C)C)c(OC)c1	ZINC000730283829	916468359	/nfs/dbraw/zinc/46/83/59/916468359.db2.gz	VLBHANDLTISQSY-KRWDZBQOSA-N	1	0	359.470	1.349	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cccnn4)[C@@H]3C2)cc1	ZINC001084734553	916680015	/nfs/dbraw/zinc/68/00/15/916680015.db2.gz	UZRYEEKCZNYWTE-VQIMIIECSA-N	1	0	363.421	1.725	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](C[C@@H](O)c4ccccc4)C[C@H]32)nc1	ZINC001084784080	917089760	/nfs/dbraw/zinc/08/97/60/917089760.db2.gz	YXRVSUFSIFPCCF-HMXCVIKNSA-N	1	0	361.445	1.943	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](C[C@H]4CCNC(=O)CC4)C[C@H]32)cn1	ZINC001084784569	917094062	/nfs/dbraw/zinc/09/40/62/917094062.db2.gz	VNUHMLKLCAKFHX-SZVBFZGTSA-N	1	0	366.465	1.126	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccn1)C(=O)NCCNc1ncccc1C#N	ZINC000730675849	917164070	/nfs/dbraw/zinc/16/40/70/917164070.db2.gz	PPFLTJITPJTMSU-UHFFFAOYSA-N	1	0	367.457	1.534	20	30		FDEDRO
C#CCCCCC(=O)NC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCO1	ZINC001065210734	917487177	/nfs/dbraw/zinc/48/71/77/917487177.db2.gz	GGPVXEISBWXYIH-FGTMMUONSA-N	1	0	363.502	1.254	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cc(C)on4)C[C@@H]32)C1=O	ZINC001084886208	917995828	/nfs/dbraw/zinc/99/58/28/917995828.db2.gz	QODUXKWCDMPMBZ-XIRDDKMYSA-N	1	0	358.442	1.306	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cncc(C)c4)C[C@@H]32)C1=O	ZINC001084910513	918237859	/nfs/dbraw/zinc/23/78/59/918237859.db2.gz	IOYUCIJUTFIYDG-WDSOQIARSA-N	1	0	368.481	1.713	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ocnc4C)C[C@@H]32)C1=O	ZINC001084912927	918261220	/nfs/dbraw/zinc/26/12/20/918261220.db2.gz	JNLOVYNSGZQLAL-XHSDSOJGSA-N	1	0	358.442	1.306	20	30		FDEDRO
O=C([C@@H]1CCNC(=O)C1)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001084919623	918316784	/nfs/dbraw/zinc/31/67/84/918316784.db2.gz	CYSCFYVEOWHCJQ-AQNXPRMDSA-N	1	0	365.477	1.487	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C[C@@H]21	ZINC001084919971	918320802	/nfs/dbraw/zinc/32/08/02/918320802.db2.gz	XYDWDRXWXHQFCA-GJYPPUQNSA-N	1	0	366.465	1.507	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4coc(C)n4)C[C@@H]32)C1=O	ZINC001084927313	918411526	/nfs/dbraw/zinc/41/15/26/918411526.db2.gz	GWLFWGIQBVYHLK-XIRDDKMYSA-N	1	0	358.442	1.306	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn([C@@H]4CCOC4)nc3C)C[C@@H]21	ZINC001084940390	918564012	/nfs/dbraw/zinc/56/40/12/918564012.db2.gz	ZZJAVVLDUSOQKW-LMMKCTJWSA-N	1	0	356.470	1.713	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2CC[N@H+](CC3CCS(=O)(=O)CC3)[C@H]2C1	ZINC001084937938	918580432	/nfs/dbraw/zinc/58/04/32/918580432.db2.gz	RBOJZHFJLMOXAU-MSOLQXFVSA-N	1	0	364.511	1.147	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)CO[C@H]4CCOC4)C[C@@H]32)cc1	ZINC001084938967	918597508	/nfs/dbraw/zinc/59/75/08/918597508.db2.gz	MZWSNZDFOKEZED-AABGKKOBSA-N	1	0	369.465	1.787	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cnc4cc[nH]cc-4c3=O)C[C@@H]21	ZINC001084950523	918697163	/nfs/dbraw/zinc/69/71/63/918697163.db2.gz	GOKYEKWGBBIFMF-KDOFPFPSSA-N	1	0	350.422	1.483	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)n3nnnc3C(C)(C)C)C[C@@H]21	ZINC001084955378	918782570	/nfs/dbraw/zinc/78/25/70/918782570.db2.gz	XKNHILXUDCMAOC-XHSDSOJGSA-N	1	0	358.490	1.478	20	30		FDEDRO
CC(=NNC(=S)NCCC[NH+](C)C)c1ccc(N2CCOC2=O)cc1	ZINC000731930850	918853770	/nfs/dbraw/zinc/85/37/70/918853770.db2.gz	OXKOGXMNQITXTL-UHFFFAOYSA-N	1	0	363.487	1.783	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CS(=O)(=O)C3CCCC3)C[C@@H]21	ZINC001084971901	918976726	/nfs/dbraw/zinc/97/67/26/918976726.db2.gz	GFLBHUHKDLXVQJ-WBVHZDCISA-N	1	0	354.516	1.843	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3sccc3-n3cnnn3)C[C@@H]21	ZINC001084980295	919139046	/nfs/dbraw/zinc/13/90/46/919139046.db2.gz	LZAWRFILGYGKJN-HIFRSBDPSA-N	1	0	356.455	1.284	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3ncc4cc(C)cnc43)C[C@@H]21	ZINC001084990786	919322806	/nfs/dbraw/zinc/32/28/06/919322806.db2.gz	BGMPLYSBFOLXFV-AEFFLSMTSA-N	1	0	351.454	1.686	20	30		FDEDRO
CN1C(=O)CC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@H]2C1	ZINC001085008879	919558671	/nfs/dbraw/zinc/55/86/71/919558671.db2.gz	VPTCGQUJTVHWDY-QYZOEREBSA-N	1	0	366.465	1.602	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4[C@@H]5COC[C@@H]54)C[C@@H]32)c1	ZINC001085009336	919561395	/nfs/dbraw/zinc/56/13/95/919561395.db2.gz	ZXDNEBRSSUPRNJ-SLHNCBLASA-N	1	0	351.450	1.873	20	30		FDEDRO
Cn1cc(C(=O)N2CC[C@H]3CC[N@H+](Cc4ccc(C#N)s4)[C@H]3C2)[nH]c1=O	ZINC001085022671	919775498	/nfs/dbraw/zinc/77/54/98/919775498.db2.gz	AUJNJVCVNSJBAS-WBMJQRKESA-N	1	0	371.466	1.795	20	30		FDEDRO
C[C@]1(C(=O)N2CC[C@H]3CC[N@H+](Cc4ccccc4C#N)[C@H]3C2)CCNC1=O	ZINC001085030521	919873866	/nfs/dbraw/zinc/87/38/66/919873866.db2.gz	JAZBYOLEFJWFOX-YWMUFLPLSA-N	1	0	366.465	1.507	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCCC3)[C@H]2C1	ZINC001085037545	919962988	/nfs/dbraw/zinc/96/29/88/919962988.db2.gz	MSBZRBQRPRTVAJ-BDXSIMOUSA-N	1	0	361.486	1.123	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3CC[N@H+](CCOC4CCC4)[C@H]3C2)nn1	ZINC001085051779	920099076	/nfs/dbraw/zinc/09/90/76/920099076.db2.gz	ILRPIZIHVFXDFQ-QAPCUYQASA-N	1	0	359.474	1.570	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4oc(C)nc4C)[C@H]3C2)nn1	ZINC001085051854	920100375	/nfs/dbraw/zinc/10/03/75/920100375.db2.gz	NIGRQIIYMTWAKH-WBVHZDCISA-N	1	0	370.457	1.806	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cncc(C)c4)[C@H]3C2)nn1	ZINC001085052007	920100967	/nfs/dbraw/zinc/10/09/67/920100967.db2.gz	YPJIEJVPAMWMIN-MJGOQNOKSA-N	1	0	366.469	1.904	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)CC1	ZINC000732891107	920263370	/nfs/dbraw/zinc/26/33/70/920263370.db2.gz	XEZNCEGQLZUJCL-CYBMUJFWSA-N	1	0	362.396	1.441	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)CCn3cnnn3)C[C@@H]21	ZINC001085062137	920301859	/nfs/dbraw/zinc/30/18/59/920301859.db2.gz	SWVNSLZRURMKKB-QAPCUYQASA-N	1	0	365.441	1.058	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn([C@@H]4CCOC4)nn3)C[C@@H]21	ZINC001085070580	920402584	/nfs/dbraw/zinc/40/25/84/920402584.db2.gz	MFYBBKKQELTYPB-NUJGCVRESA-N	1	0	359.474	1.742	20	30		FDEDRO
O=C(Cc1nnc[nH]1)N1CC[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)[C@H]2C1	ZINC001085071505	920475264	/nfs/dbraw/zinc/47/52/64/920475264.db2.gz	PKTFWXOIFFWMOG-AEFFLSMTSA-N	1	0	367.428	1.461	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)Cc4nnc[nH]4)C[C@@H]32)cc1	ZINC001085071555	920476216	/nfs/dbraw/zinc/47/62/16/920476216.db2.gz	SHCSKHGTETVSNH-SJORKVTESA-N	1	0	350.426	1.342	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c(c3)nc[nH]c4=O)C[C@@H]21	ZINC001085094499	920860109	/nfs/dbraw/zinc/86/01/09/920860109.db2.gz	CZGWXSFPENZXNV-KDOFPFPSSA-N	1	0	350.422	1.895	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)COc3cccc(C(N)=O)c3)C[C@@H]21	ZINC001085099258	920900923	/nfs/dbraw/zinc/90/09/23/920900923.db2.gz	KOOLDLRTQVHGBI-QAPCUYQASA-N	1	0	357.454	1.663	20	30		FDEDRO
O=C(NCC[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1)C1N=CC=CC1=O	ZINC000733332781	920988447	/nfs/dbraw/zinc/98/84/47/920988447.db2.gz	AMOUOTFAXJYLGP-SKQREZPOSA-N	1	0	371.437	1.860	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCC(=O)N2)c(F)c1	ZINC001085150785	921811383	/nfs/dbraw/zinc/81/13/83/921811383.db2.gz	XZZRHNYTCMMYEC-BRWVUGGUSA-N	1	0	358.417	1.493	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ncoc2CC)C1=O	ZINC001085156880	921858209	/nfs/dbraw/zinc/85/82/09/921858209.db2.gz	AZDNODZTYFVUOW-RBSFLKMASA-N	1	0	360.458	1.655	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCNC(=O)CC2)c1	ZINC001085162283	921905104	/nfs/dbraw/zinc/90/51/04/921905104.db2.gz	JLYVYHASIHUVTA-FVQBIDKESA-N	1	0	357.458	1.433	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCN(C3CCC3)C2=O)[nH]1	ZINC001085172328	921983946	/nfs/dbraw/zinc/98/39/46/921983946.db2.gz	VPORDYTVUWIBGY-JFIYKMOQSA-N	1	0	369.469	1.670	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000823675003	921997895	/nfs/dbraw/zinc/99/78/95/921997895.db2.gz	QXIPPBLUDVLMCX-UHFFFAOYSA-N	1	0	363.483	1.156	20	30		FDEDRO
C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1)n1cncn1	ZINC001085175682	922001081	/nfs/dbraw/zinc/00/10/81/922001081.db2.gz	XLNKPSPGSLBNKJ-BMGDILEWSA-N	1	0	352.442	1.928	20	30		FDEDRO
CC(C)N1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(C#N)c2)C1=O	ZINC001085176806	922007243	/nfs/dbraw/zinc/00/72/43/922007243.db2.gz	XLQYGQHQMQPOAY-ZACQAIPSSA-N	1	0	357.458	1.526	20	30		FDEDRO
Cn1ncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2F)c1N	ZINC001085177676	922016980	/nfs/dbraw/zinc/01/69/80/922016980.db2.gz	RWDGNJWVGDCRPX-IAGOWNOFSA-N	1	0	370.432	1.844	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnn(CC)n1	ZINC001085192134	922129971	/nfs/dbraw/zinc/12/99/71/922129971.db2.gz	VBQKUDYOYZJQNV-VXGBXAGGSA-N	1	0	356.268	1.837	20	30		FDEDRO
C=CCCC(=O)N1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1	ZINC001065693441	922441266	/nfs/dbraw/zinc/44/12/66/922441266.db2.gz	CWXQJCCDJNVNSB-KZNAEPCWSA-N	1	0	362.518	1.038	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C2CS(=O)(=O)C2)c1	ZINC001085209456	922766039	/nfs/dbraw/zinc/76/60/39/922766039.db2.gz	NFMDEPFTVJZSLW-IAGOWNOFSA-N	1	0	361.467	1.120	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1nccn1	ZINC001085212303	922796484	/nfs/dbraw/zinc/79/64/84/922796484.db2.gz	RTVCOSISWSPGFJ-IAGOWNOFSA-N	1	0	356.405	1.506	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+]C2(C(=O)NC)CCCC2)c(OC)c1	ZINC000733999166	922823204	/nfs/dbraw/zinc/82/32/04/922823204.db2.gz	KWNSWDAWWXPHQO-MRXNPFEDSA-N	1	0	362.470	1.812	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+]C2(C(=O)NC)CCCC2)c(OC)c1	ZINC000733999164	922823373	/nfs/dbraw/zinc/82/33/73/922823373.db2.gz	KWNSWDAWWXPHQO-INIZCTEOSA-N	1	0	362.470	1.812	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[C@@H]2CCC(=O)NC2)c1	ZINC001085222616	922925977	/nfs/dbraw/zinc/92/59/77/922925977.db2.gz	CWKKXKPMZABYBA-IPMKNSEASA-N	1	0	368.481	1.992	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(CC)C1=O	ZINC001085225914	922942600	/nfs/dbraw/zinc/94/26/00/922942600.db2.gz	UXQMKMRIBWMHEA-ZACQAIPSSA-N	1	0	358.486	1.926	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2cnccc2C)C1=O	ZINC001085229680	922982299	/nfs/dbraw/zinc/98/22/99/922982299.db2.gz	DZLVLIZLGPUEGB-QRVBRYPASA-N	1	0	370.497	1.736	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)ncn1	ZINC001085229991	922984855	/nfs/dbraw/zinc/98/48/55/922984855.db2.gz	VGWJLFUTBZDYGN-QRVBRYPASA-N	1	0	355.486	1.400	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2CN(C(=O)[C@@H]3C[C@H]3CCC)C2)CC1	ZINC001006238162	923115639	/nfs/dbraw/zinc/11/56/39/923115639.db2.gz	AGYPECOCBBNBIT-KVSKMBFKSA-N	1	0	359.514	1.731	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1nc(C)n(-c2nc[nH]n2)n1	ZINC001085291677	923567238	/nfs/dbraw/zinc/56/72/38/923567238.db2.gz	WPSDVICOMDYDAI-VXGBXAGGSA-N	1	0	364.841	1.077	20	30		FDEDRO
C=CC[C@H](NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccncc1	ZINC000734683366	923582146	/nfs/dbraw/zinc/58/21/46/923582146.db2.gz	LKQKZFLCDRNGQL-OALUTQOASA-N	1	0	373.501	1.405	20	30		FDEDRO
CN1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)s2)C1=O	ZINC001085302582	923679795	/nfs/dbraw/zinc/67/97/95/923679795.db2.gz	VXMILONYAYNBCK-BZUAXINKSA-N	1	0	360.483	1.615	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2CN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC001006241283	923682061	/nfs/dbraw/zinc/68/20/61/923682061.db2.gz	PZZXRMKZSVNHTI-ZOCIIQOWSA-N	1	0	357.498	1.341	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2CN(C(=O)[C@]34C[C@H]3CCC4)C2)CC1	ZINC001006245983	924011149	/nfs/dbraw/zinc/01/11/49/924011149.db2.gz	XHXHLXPOAAVTHT-RRMPHLOHSA-N	1	0	357.498	1.485	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nc(C)oc2C)nn1	ZINC001085357027	924183865	/nfs/dbraw/zinc/18/38/65/924183865.db2.gz	AABWCUSRUMNHIT-HUUCEWRRSA-N	1	0	358.446	1.900	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2nc(C)oc2C)C1=O	ZINC001085373508	924321364	/nfs/dbraw/zinc/32/13/64/924321364.db2.gz	SMBNANIYTUTPHA-OAGGEKHMSA-N	1	0	360.458	1.709	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cn(C)nc2C)nc1	ZINC001085398379	924448388	/nfs/dbraw/zinc/44/83/88/924448388.db2.gz	DVMZXNJEXDAOTA-QZTJIDSGSA-N	1	0	351.454	1.936	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCNC(=O)CC2)nc1	ZINC001085398475	924448492	/nfs/dbraw/zinc/44/84/92/924448492.db2.gz	IVUBUCFEGQAGFK-RCCFBDPRSA-N	1	0	368.481	1.610	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCNC1=O	ZINC001085406473	924492189	/nfs/dbraw/zinc/49/21/89/924492189.db2.gz	GYKRZCSIFQRIDK-QRVBRYPASA-N	1	0	353.466	1.506	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1	ZINC000735939929	924687739	/nfs/dbraw/zinc/68/77/39/924687739.db2.gz	MNDPDHRYFDQFMF-ZDUSSCGKSA-N	1	0	359.382	1.810	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C)CC1	ZINC000735940936	924688914	/nfs/dbraw/zinc/68/89/14/924688914.db2.gz	WHRQDNKBZODUMH-HOCLYGCPSA-N	1	0	363.458	1.279	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCc1cnn(CC)c1	ZINC001085600921	924947090	/nfs/dbraw/zinc/94/70/90/924947090.db2.gz	HWGKPEDYJIWJHC-QRVBRYPASA-N	1	0	360.502	1.959	20	30		FDEDRO
C=C(Cl)CNC(=O)C(=O)Nc1ccc(N2CCN(C)CC2)c(Cl)c1	ZINC000737224987	924979561	/nfs/dbraw/zinc/97/95/61/924979561.db2.gz	XJQFKHFLXDESMC-UHFFFAOYSA-N	1	0	371.268	1.899	20	30		FDEDRO
C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CCCC[C@@H]2[C@H](C)CC)c1=O	ZINC000738058876	925098488	/nfs/dbraw/zinc/09/84/88/925098488.db2.gz	WKWSPCPKQCMPOU-HZPDHXFCSA-N	1	0	362.474	1.402	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC(C[NH+]2CCOCC2)CC1	ZINC000739912482	925322359	/nfs/dbraw/zinc/32/23/59/925322359.db2.gz	LNUHHJJOVUCDAZ-IBGZPJMESA-N	1	0	357.454	1.817	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCN1CCCC1=O	ZINC001085864821	925344196	/nfs/dbraw/zinc/34/41/96/925344196.db2.gz	LGJYLBVTLMEHML-LNLFQRSKSA-N	1	0	363.502	1.513	20	30		FDEDRO
C=CCCCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC001108216797	925354258	/nfs/dbraw/zinc/35/42/58/925354258.db2.gz	LUSBCLWJRKKQNR-UWVAXJGDSA-N	1	0	365.518	1.842	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2=O)CC1	ZINC000740735794	925420081	/nfs/dbraw/zinc/42/00/81/925420081.db2.gz	PSNNYMWTKCOEMO-GOSISDBHSA-N	1	0	357.429	1.783	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)CC1	ZINC000740736061	925420159	/nfs/dbraw/zinc/42/01/59/925420159.db2.gz	BQTQFSYZHCZRPN-OAHLLOKOSA-N	1	0	367.515	1.900	20	30		FDEDRO
CC(=NNC(=S)NCCC[NH+](C)C)c1ccc(S(C)(=O)=O)c(F)c1	ZINC000741763749	925849608	/nfs/dbraw/zinc/84/96/08/925849608.db2.gz	XCLQFTDIFMNFEV-UHFFFAOYSA-N	1	0	374.507	1.369	20	30		FDEDRO
C=C(Br)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1	ZINC001086088513	925942340	/nfs/dbraw/zinc/94/23/40/925942340.db2.gz	AOJPLENKLMFMOE-FOUMNBMASA-N	1	0	358.280	1.294	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)C1=O	ZINC001086155515	926163093	/nfs/dbraw/zinc/16/30/93/926163093.db2.gz	KPZANQNFHRGMAG-DEORAPPZSA-N	1	0	361.486	1.073	20	30		FDEDRO
C#CCCN1C[C@@H](NC(=O)C[N@@H+](C)CCCCCC)[C@@H](n2ccnn2)C1	ZINC001129326846	926189703	/nfs/dbraw/zinc/18/97/03/926189703.db2.gz	NEDKXRQHFHZQGV-MSOLQXFVSA-N	1	0	360.506	1.155	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nnc(C)n2CCC)C1	ZINC001086201435	926283590	/nfs/dbraw/zinc/28/35/90/926283590.db2.gz	ATLRAVPKHQRKDN-TWMKSMIVSA-N	1	0	361.490	1.572	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCn2nc(C)cc2C)C1	ZINC001086223442	926353186	/nfs/dbraw/zinc/35/31/86/926353186.db2.gz	QDMQVYZZPPIEMM-RDGPPVDQSA-N	1	0	360.502	1.966	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(C#N)c1	ZINC001006290940	926354862	/nfs/dbraw/zinc/35/48/62/926354862.db2.gz	ZRWXKANCVSEPDB-YYQUZTFQSA-N	1	0	355.442	1.232	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccc(OCC(=O)NC)c(OC)c2)CC1	ZINC000743490961	926378548	/nfs/dbraw/zinc/37/85/48/926378548.db2.gz	AIZDPOGFXZXMCV-UHFFFAOYSA-N	1	0	373.453	1.038	20	30		FDEDRO
C#CCCCNC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1	ZINC000743690514	926437126	/nfs/dbraw/zinc/43/71/26/926437126.db2.gz	MMFHJXAYAREFBD-UHFFFAOYSA-N	1	0	358.486	1.872	20	30		FDEDRO
COC(=O)CC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)C1CCOCC1	ZINC000743871793	926483085	/nfs/dbraw/zinc/48/30/85/926483085.db2.gz	SHTVXSLZFORCJT-UHFFFAOYSA-N	1	0	365.474	1.715	20	30		FDEDRO
COC(=O)CC[N@@H+](Cc1nc2ccccc2c(=O)n1CC#N)CC(C)C	ZINC000744391235	926655000	/nfs/dbraw/zinc/65/50/00/926655000.db2.gz	VIEIDPUOHJXJRK-UHFFFAOYSA-N	1	0	356.426	1.941	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1	ZINC001086368874	926861166	/nfs/dbraw/zinc/86/11/66/926861166.db2.gz	BREUDQUGFCZVLQ-BNEJOLLZSA-N	1	0	354.454	1.457	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CCCO[C@H]3C=C)C2)C1=O	ZINC001086369357	926865565	/nfs/dbraw/zinc/86/55/65/926865565.db2.gz	DAJAVOUOQRKRGI-ZKXLYKBJSA-N	1	0	361.486	1.239	20	30		FDEDRO
C=CCOCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCO[C@H]2CC)CC1	ZINC001098436939	927200851	/nfs/dbraw/zinc/20/08/51/927200851.db2.gz	DUTGKTKTMXODNV-MSOLQXFVSA-N	1	0	354.491	1.289	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc1	ZINC001086433710	927226923	/nfs/dbraw/zinc/22/69/23/927226923.db2.gz	HUOIAGGTHGXRMU-VMJIZDNZSA-N	1	0	351.450	1.966	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001086478995	927504010	/nfs/dbraw/zinc/50/40/10/927504010.db2.gz	KAUUTDBORURSKC-XLAORIBOSA-N	1	0	354.454	1.267	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3c3cccnc3)C2)C1=O	ZINC001086486347	927564803	/nfs/dbraw/zinc/56/48/03/927564803.db2.gz	RLEVGZIQDSTSQL-GPFWEFOESA-N	1	0	368.481	1.456	20	30		FDEDRO
C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)Nc2cnn(CC#N)c2)C1	ZINC000746356958	927906268	/nfs/dbraw/zinc/90/62/68/927906268.db2.gz	VPMNDRTVNBCVQY-HUUCEWRRSA-N	1	0	360.462	1.219	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1	ZINC000746407144	927951838	/nfs/dbraw/zinc/95/18/38/927951838.db2.gz	VPXGJOOGNQLKJL-HZPDHXFCSA-N	1	0	372.473	1.458	20	30		FDEDRO
CC(C)(C)C(=O)Nc1ccc(/C=N/O)nc1-n1cc2c(n1)CC[C@@H]([NH3+])C2	ZINC001168811097	928113024	/nfs/dbraw/zinc/11/30/24/928113024.db2.gz	HFZROKDQOVIODD-IDTCLIEOSA-N	1	0	356.430	1.876	20	30		FDEDRO
C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2	ZINC001169020182	928242732	/nfs/dbraw/zinc/24/27/32/928242732.db2.gz	KEQCPGJQQABODQ-YQVWRLOYSA-N	1	0	364.490	1.615	20	30		FDEDRO
O=C1c2ccccc2C(=O)C(Nc2nccnc2N2CC[NH2+]CC2)=C1Cl	ZINC001169046530	928254488	/nfs/dbraw/zinc/25/44/88/928254488.db2.gz	UZGQILIBZUOCBY-UHFFFAOYSA-N	1	0	369.812	1.828	20	30		FDEDRO
CCC[C@@H]1CN(Cn2cc3c(c(C#N)c2=O)CCC3)CC[N@@H+]1CCOC	ZINC000766634399	928364065	/nfs/dbraw/zinc/36/40/65/928364065.db2.gz	VEBSFWUHTAHSNQ-QGZVFWFLSA-N	1	0	358.486	1.599	20	30		FDEDRO
C=CC[NH+](CC=C)CCN1CCN([C@@H]2CC[C@H](C(=O)OCC)OC2)CC1	ZINC001169418747	928569274	/nfs/dbraw/zinc/56/92/74/928569274.db2.gz	OQAQZPDDBLLCKG-RTBURBONSA-N	1	0	365.518	1.389	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2ncccn2)[C@@H](n2ccnn2)C1	ZINC001129337376	928765113	/nfs/dbraw/zinc/76/51/13/928765113.db2.gz	FNTLEDQPLHDZAH-CVEARBPZSA-N	1	0	355.446	1.470	20	30		FDEDRO
C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@@H+]([C@@H]1CCCN(C(C)=O)C1)C2	ZINC001169604138	928778570	/nfs/dbraw/zinc/77/85/70/928778570.db2.gz	BKVJQCJBIKCZCZ-QUCCMNQESA-N	1	0	362.518	1.180	20	30		FDEDRO
COC(=O)n1ncc(C#N)c1Nc1cncc([C@@H]2C[NH+]3CCC2CC3)n1	ZINC001169965088	928981487	/nfs/dbraw/zinc/98/14/87/928981487.db2.gz	LHJBHTKITGZDKG-CYBMUJFWSA-N	1	0	353.386	1.712	20	30		FDEDRO
C=CC[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)c1ccncc1	ZINC000767018372	929046490	/nfs/dbraw/zinc/04/64/90/929046490.db2.gz	JYNSAFWLWJCEOE-ZWKOTPCHSA-N	1	0	371.485	1.647	20	30		FDEDRO
N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC[C@H]1CCCCO1	ZINC001108951653	929566561	/nfs/dbraw/zinc/56/65/61/929566561.db2.gz	CQTOTDZXGCZMPQ-NCOADZHNSA-N	1	0	367.515	1.550	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccc(OC)nc1)C2	ZINC001109513418	929633008	/nfs/dbraw/zinc/63/30/08/929633008.db2.gz	GKIFZNTVDMOFKF-SQNIBIBYSA-N	1	0	359.470	1.947	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3cc(OC)ccn31)C2	ZINC001109518237	929659475	/nfs/dbraw/zinc/65/94/75/929659475.db2.gz	ZTOMKYQDQAMGMV-PVAVHDDUSA-N	1	0	370.453	1.881	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CCCC)NC(N)=O)C2	ZINC001111500438	929712923	/nfs/dbraw/zinc/71/29/23/929712923.db2.gz	GWSQTPVIZDFRLW-QXSJWSMHSA-N	1	0	352.479	1.138	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCN(S(C)(=O)=O)C1	ZINC001109604611	929926866	/nfs/dbraw/zinc/92/68/66/929926866.db2.gz	RFUIZIDRMGVXRK-FZKCQIBNSA-N	1	0	369.531	1.202	20	30		FDEDRO
COc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+](C)C)C3)cc1C#N	ZINC001109670265	930102498	/nfs/dbraw/zinc/10/24/98/930102498.db2.gz	UMGSASUYBTZOTR-SQNIBIBYSA-N	1	0	356.470	1.740	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CS(=O)(=O)N(CC)CC)C2	ZINC001109782212	930404796	/nfs/dbraw/zinc/40/47/96/930404796.db2.gz	JDFPMJYHYAVUHE-PMPSAXMXSA-N	1	0	357.520	1.346	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2	ZINC001109799047	930439278	/nfs/dbraw/zinc/43/92/78/930439278.db2.gz	GMIDPTXILRQOIJ-RANZSIQMSA-N	1	0	362.518	1.131	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc(C3CC3)[nH]c1=O)C2	ZINC001109808910	930481490	/nfs/dbraw/zinc/48/14/90/930481490.db2.gz	FMUODPGGBMTRMN-KBMXLJTQSA-N	1	0	358.442	1.597	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)C2	ZINC001109810756	930507244	/nfs/dbraw/zinc/50/72/44/930507244.db2.gz	AZPAEUTZNIBYJZ-XGUBFFRZSA-N	1	0	357.520	1.390	20	30		FDEDRO
CN1CC[NH+](CCC(C)(C)NC(=O)NCc2cc(C#N)ccc2F)CC1	ZINC000771326720	930593570	/nfs/dbraw/zinc/59/35/70/930593570.db2.gz	KSVWIKJFKFRMRY-UHFFFAOYSA-N	1	0	361.465	1.913	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C2	ZINC001109986547	930972855	/nfs/dbraw/zinc/97/28/55/930972855.db2.gz	ZZLBJZIDMGUDPO-KPEUIFRASA-N	1	0	371.485	1.173	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](O)COCC(C)C)nc1	ZINC001109998258	930996591	/nfs/dbraw/zinc/99/65/91/930996591.db2.gz	PTROKRPMBYNNBZ-UMGGQSCQSA-N	1	0	371.481	1.432	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCC1CC1	ZINC001109996703	931015722	/nfs/dbraw/zinc/01/57/22/931015722.db2.gz	NQRQAAFZBRJMTG-NEWSRXKRSA-N	1	0	369.465	1.855	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)Nc2ccc(OC)cc2OC)CC1	ZINC000772115051	931082888	/nfs/dbraw/zinc/08/28/88/931082888.db2.gz	VEFVGHJYMFUGAN-AWEZNQCLSA-N	1	0	374.437	1.919	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)NCc2cccc(OC)c2)CC1	ZINC000772124302	931088846	/nfs/dbraw/zinc/08/88/46/931088846.db2.gz	WGMYONWBQORQHL-OAHLLOKOSA-N	1	0	358.438	1.588	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCN1CCOCC1)C2	ZINC001112545734	931432783	/nfs/dbraw/zinc/43/27/83/931432783.db2.gz	AKNRBKLMDCJFIP-WMZOPIPTSA-N	1	0	355.910	1.680	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCCN1CCOCC1)C2	ZINC001112545852	931433741	/nfs/dbraw/zinc/43/37/41/931433741.db2.gz	HWEOSDQWRBHCOE-FPOVZHCZSA-N	1	0	361.530	1.731	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COc1cccnc1)C2	ZINC001112546080	931434616	/nfs/dbraw/zinc/43/46/16/931434616.db2.gz	RXADIHJQJDUDMD-PXNSSMCTSA-N	1	0	357.454	1.329	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cccc(C[NH+]2CCCC2)c1	ZINC000785719826	931563481	/nfs/dbraw/zinc/56/34/81/931563481.db2.gz	GSNPRZGVWWKAGJ-AWEZNQCLSA-N	1	0	359.426	1.840	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC(=O)NC1=O)C2	ZINC001112558756	931579619	/nfs/dbraw/zinc/57/96/19/931579619.db2.gz	WBNIETZYPYWZEQ-KXBFYZLASA-N	1	0	362.474	1.113	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)c1cscn1)C2	ZINC001112559447	931584452	/nfs/dbraw/zinc/58/44/52/931584452.db2.gz	XOLUXGXQHJPAQY-KSSFIOAISA-N	1	0	360.483	1.115	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3n[nH]cc3C1)C2	ZINC001112562929	931596427	/nfs/dbraw/zinc/59/64/27/931596427.db2.gz	WKLALNHOIOWVTQ-MMOPVJDHSA-N	1	0	370.497	1.383	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](NC(N)=O)C(C)(C)C)C2	ZINC001112564032	931606877	/nfs/dbraw/zinc/60/68/77/931606877.db2.gz	AGVBMNOLMORFEG-DOXZYTNZSA-N	1	0	350.507	1.864	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1c(=O)oc3ccccc31)C2	ZINC001112576818	931689139	/nfs/dbraw/zinc/68/91/39/931689139.db2.gz	KGJNHUWXEWKRMV-KKSFZXQISA-N	1	0	367.449	1.836	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCNC(=O)c1ccco1)C2	ZINC001112577684	931693336	/nfs/dbraw/zinc/69/33/36/931693336.db2.gz	YLIWLVREWNSWEN-JXFKEZNVSA-N	1	0	357.454	1.641	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCN1C(=O)CNC1=O)C2	ZINC001112576355	931712949	/nfs/dbraw/zinc/71/29/49/931712949.db2.gz	JBUUISQRANQLIW-KXBFYZLASA-N	1	0	362.474	1.113	20	30		FDEDRO
C=C[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC)C1)c1ccccc1	ZINC001112583561	931754256	/nfs/dbraw/zinc/75/42/56/931754256.db2.gz	YFEGOJKCBGPOFK-WFXMLNOXSA-N	1	0	355.482	1.921	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)c1ccccn1)C2	ZINC001112584272	931782790	/nfs/dbraw/zinc/78/27/90/931782790.db2.gz	JULAWEGUOUGLPF-JXFKEZNVSA-N	1	0	354.454	1.053	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCN(CC)C2=O)C1	ZINC001112589129	931801998	/nfs/dbraw/zinc/80/19/98/931801998.db2.gz	MKPHQCKAIIAHEN-QKLQHJQFSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(CC)CC)C1	ZINC001112589322	931802673	/nfs/dbraw/zinc/80/26/73/931802673.db2.gz	ULBQRHILUIHTEA-ZWOKBUDYSA-N	1	0	365.518	1.664	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCCCS(N)(=O)=O)C2	ZINC001112595484	931893568	/nfs/dbraw/zinc/89/35/68/931893568.db2.gz	WEMAPQPDVREGOM-WMZOPIPTSA-N	1	0	369.531	1.077	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)Cc2cccc(N3CCCC3=O)c2)CC1	ZINC000787381420	932267467	/nfs/dbraw/zinc/26/74/67/932267467.db2.gz	LZBRRJOCRYWKLU-UHFFFAOYSA-N	1	0	353.466	1.960	20	30		FDEDRO
C[C@H](C#N)CN(C)CN1C(=O)N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O	ZINC000746706460	932382260	/nfs/dbraw/zinc/38/22/60/932382260.db2.gz	XDGMMWHXYRKPGL-UZLBHIALSA-N	1	0	369.469	1.622	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1ccc(C[NH+](CC)CC)cc1)[C@@H]1CCCO1	ZINC000787895520	932478955	/nfs/dbraw/zinc/47/89/55/932478955.db2.gz	KNTWGLOXYLBJAO-ROUUACIJSA-N	1	0	357.454	1.764	20	30		FDEDRO
C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)C1CN(C(=O)OC(C)(C)C)C1	ZINC000788643637	932754257	/nfs/dbraw/zinc/75/42/57/932754257.db2.gz	KQQBEMBQCYUXNV-KXEGMRRWSA-N	1	0	364.446	1.358	20	30		FDEDRO
COC(=O)CC[NH+]1CCC(=NNC(=S)Nc2ccccc2OC)CC1	ZINC000788699746	932787437	/nfs/dbraw/zinc/78/74/37/932787437.db2.gz	KQNIRNXZJDMQGA-UHFFFAOYSA-N	1	0	364.471	1.997	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)[C@H]1CCCO1	ZINC000789744186	933175764	/nfs/dbraw/zinc/17/57/64/933175764.db2.gz	OJDHPLKKGCRIKU-USXIJHARSA-N	1	0	371.437	1.307	20	30		FDEDRO
CCOC(=O)CON=C(C(=O)Nc1cccc(C[NH+](C)C)c1)c1cc[nH]n1	ZINC000789954190	933266640	/nfs/dbraw/zinc/26/66/40/933266640.db2.gz	YQWYVAYXFBXQJW-UHFFFAOYSA-N	1	0	373.413	1.394	20	30		FDEDRO
COCC[N@H+](C)CCCC1CCN(S(=O)(=O)CC(C)(C)C#N)CC1	ZINC000790043101	933311731	/nfs/dbraw/zinc/31/17/31/933311731.db2.gz	HPJBCJTZDBBPCU-UHFFFAOYSA-N	1	0	359.536	1.936	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)cc1C#N	ZINC000790191683	933405983	/nfs/dbraw/zinc/40/59/83/933405983.db2.gz	WJTIWBKVGOPADO-AWEZNQCLSA-N	1	0	358.442	1.031	20	30		FDEDRO
CCN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccsc1	ZINC000790726712	933716235	/nfs/dbraw/zinc/71/62/35/933716235.db2.gz	RSRAWMCBWAVPKO-GFCCVEGCSA-N	1	0	354.501	1.767	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2cnn(C)c2C)C1	ZINC001086591890	933794904	/nfs/dbraw/zinc/79/49/04/933794904.db2.gz	LJGCZIKSRPAIIO-VQTJNVASSA-N	1	0	350.466	1.879	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CCC(=O)NC2)C1	ZINC001086592508	933816341	/nfs/dbraw/zinc/81/63/41/933816341.db2.gz	QYRQKMKAVAHEIE-NZSAHSFTSA-N	1	0	353.466	1.510	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CCN(C)C2=O)C1	ZINC001086593533	933864191	/nfs/dbraw/zinc/86/41/91/933864191.db2.gz	CCPVAXREIJWURI-GBESFXJTSA-N	1	0	353.466	1.462	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1	ZINC001086598024	933981560	/nfs/dbraw/zinc/98/15/60/933981560.db2.gz	LVPNNQQMLJJVHS-CEXWTWQISA-N	1	0	368.481	1.385	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CCCC(=O)N2)C1	ZINC001086598602	933994848	/nfs/dbraw/zinc/99/48/48/933994848.db2.gz	PYGUUNJVHXFGAH-GBESFXJTSA-N	1	0	353.466	1.653	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CCCC(=O)N2)C1	ZINC001086598617	933995659	/nfs/dbraw/zinc/99/56/59/933995659.db2.gz	RGXGOSPMTIDUQY-CEXWTWQISA-N	1	0	353.466	1.653	20	30		FDEDRO
C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2c(C)c(C)n[nH]c2=O)C1	ZINC001086602664	934159038	/nfs/dbraw/zinc/15/90/38/934159038.db2.gz	LVWDLGHAWKLZKV-DLBZAZTESA-N	1	0	350.422	1.630	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn(C)nc2OC)C1	ZINC001086603140	934207422	/nfs/dbraw/zinc/20/74/22/934207422.db2.gz	JPEUANMNSVCHKG-FUHWJXTLSA-N	1	0	352.438	1.650	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[N@@H+](C)C(C)(C)C2)s1	ZINC000822671507	945135497	/nfs/dbraw/zinc/13/54/97/945135497.db2.gz	LABZPWQDILFLIG-UHFFFAOYSA-N	1	0	371.528	1.308	20	30		FDEDRO
Cc1ncc(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1C#N	ZINC000794017399	938357035	/nfs/dbraw/zinc/35/70/35/938357035.db2.gz	IUZAZCLMZURHQV-UHFFFAOYSA-N	1	0	371.466	1.814	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1	ZINC000794339479	938389274	/nfs/dbraw/zinc/38/92/74/938389274.db2.gz	OALLYDAVBNEVPC-SFHVURJKSA-N	1	0	352.394	1.344	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)Oc2cccc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129417682	938409707	/nfs/dbraw/zinc/40/97/07/938409707.db2.gz	JMIGZOCXZJWVEK-UHOSZYNNSA-N	1	0	369.469	1.972	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)COc2ccc(C)cc2)[C@@H](n2ccnn2)C1	ZINC001129422483	938411948	/nfs/dbraw/zinc/41/19/48/938411948.db2.gz	RAEGARCCNISULN-MOPGFXCFSA-N	1	0	369.469	1.973	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)COc2ccc(F)cc2)[C@@H](n2ccnn2)C1	ZINC001129427823	938414218	/nfs/dbraw/zinc/41/42/18/938414218.db2.gz	LROMSDZKHMBHRH-SJORKVTESA-N	1	0	359.405	1.414	20	30		FDEDRO
CC(C)C[N@@H+]1C[C@@H](NC(=O)CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129449452	938419805	/nfs/dbraw/zinc/41/98/05/938419805.db2.gz	NUEVPQWUHGXKDT-MOPGFXCFSA-N	1	0	351.454	1.717	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2ccnc2C)[C@@H](n2ccnn2)C1	ZINC001129433545	938423553	/nfs/dbraw/zinc/42/35/53/938423553.db2.gz	GCDKPNNZYJBKQD-UAGQMJEPSA-N	1	0	357.462	1.179	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001129476638	938432408	/nfs/dbraw/zinc/43/24/08/938432408.db2.gz	MFMGKPQNCAMBTH-MOPGFXCFSA-N	1	0	369.469	1.721	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cnc(CC)s2)[C@@H](n2ccnn2)C1	ZINC001129476608	938432462	/nfs/dbraw/zinc/43/24/62/938432462.db2.gz	LANHJUOSTIXLMY-KGLIPLIRSA-N	1	0	360.487	1.919	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)CC(C)C)C[C@@H]1n1ccnn1	ZINC001129476891	938432948	/nfs/dbraw/zinc/43/29/48/938432948.db2.gz	ULTJWONQKXSHQV-KSZLIROESA-N	1	0	363.506	1.895	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cnc(C)cn2)C[C@@H]1n1ccnn1	ZINC001129536445	938453361	/nfs/dbraw/zinc/45/33/61/938453361.db2.gz	BIKIBEWVVQJTMC-MSOLQXFVSA-N	1	0	369.473	1.778	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@@H](n2ccnn2)C1	ZINC001129667451	938479035	/nfs/dbraw/zinc/47/90/35/938479035.db2.gz	VUUVJOQQPVNZOG-MSOLQXFVSA-N	1	0	368.416	1.797	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CC2CCCC2)[C@@H](n2ccnn2)C1	ZINC001129655756	938482759	/nfs/dbraw/zinc/48/27/59/938482759.db2.gz	FKEHSMQJSFMBEZ-JQHSSLGASA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]([NH2+]CCc2cccs2)[C@@H](n2ccnn2)C1	ZINC001129681248	938484103	/nfs/dbraw/zinc/48/41/03/938484103.db2.gz	LXQGNSPZZDVRGV-CVEARBPZSA-N	1	0	361.471	1.126	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)CNC(=O)CC)C[C@@H]1n1ccnn1	ZINC001129691229	938486374	/nfs/dbraw/zinc/48/63/74/938486374.db2.gz	SIOXSOJBAOGGRE-CVEARBPZSA-N	1	0	364.494	1.116	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)COCCOC)C[C@@H]1n1ccnn1	ZINC001129695729	938487041	/nfs/dbraw/zinc/48/70/41/938487041.db2.gz	DTOGVRWIBIEJNO-SJORKVTESA-N	1	0	365.478	1.029	20	30		FDEDRO
CCOCCC(=O)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129675531	938490373	/nfs/dbraw/zinc/49/03/73/938490373.db2.gz	QKFNYKNJDKVSBL-MOPGFXCFSA-N	1	0	367.453	1.098	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H]([NH2+]CC/C=C/CC)[C@@H](n2ccnn2)C1	ZINC001129733251	938496615	/nfs/dbraw/zinc/49/66/15/938496615.db2.gz	PPTQNSVGZFGORK-VGRIIWOTSA-N	1	0	361.490	1.959	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cncc(C(N)=O)c2)C1	ZINC001086624835	938499742	/nfs/dbraw/zinc/49/97/42/938499742.db2.gz	XJUXWIAYJYZSOQ-RBUKOAKNSA-N	1	0	362.433	1.402	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1n1ccnn1	ZINC001129747832	938506283	/nfs/dbraw/zinc/50/62/83/938506283.db2.gz	JEXXTQUPFQWECG-WBVHZDCISA-N	1	0	357.462	1.413	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H]([NH2+]CCC2CCCC2)[C@@H](n2ccnn2)C1	ZINC001129795726	938509204	/nfs/dbraw/zinc/50/92/04/938509204.db2.gz	NJEJOZUUENLMEZ-ZIFCJYIRSA-N	1	0	361.490	1.527	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)cc2)[C@@H](n2ccnn2)C1	ZINC001129796067	938509501	/nfs/dbraw/zinc/50/95/01/938509501.db2.gz	ZTANMIWFOSCZNC-MSOLQXFVSA-N	1	0	355.417	1.762	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CN(CC)CCO2)C1	ZINC001086625216	938511496	/nfs/dbraw/zinc/51/14/96/938511496.db2.gz	PEDPNIMNUFDDRP-XUVXKRRUSA-N	1	0	357.498	1.867	20	30		FDEDRO
N#Cc1ccc(C(=O)N2C[C@@H]([NH2+]CCCC3CCC3)[C@@H](n3ccnn3)C2)[nH]1	ZINC001129778572	938513930	/nfs/dbraw/zinc/51/39/30/938513930.db2.gz	WWXFOUWXBWSVAS-MSOLQXFVSA-N	1	0	367.457	1.713	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)c2n[nH]cc2C)C[C@@H]1n1ccnn1	ZINC001129816516	938520785	/nfs/dbraw/zinc/52/07/85/938520785.db2.gz	DBAWPMKHMUVHFR-CVEARBPZSA-N	1	0	359.478	1.935	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H]([NH2+]CCc2cccs2)[C@@H](n2ccnn2)C1	ZINC001129822327	938522185	/nfs/dbraw/zinc/52/21/85/938522185.db2.gz	QIXYKZNVLNJSMR-SJORKVTESA-N	1	0	357.483	1.583	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H]([NH2+]CCCc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129822352	938522308	/nfs/dbraw/zinc/52/23/08/938522308.db2.gz	RVHVJNFLSPIUIA-UXHICEINSA-N	1	0	363.465	1.666	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2coc(C(C)(C)C)n2)C[C@@H]1n1ccnn1	ZINC001129829449	938523713	/nfs/dbraw/zinc/52/37/13/938523713.db2.gz	HYFUUPVQOKFNPY-HIFRSBDPSA-N	1	0	356.430	1.242	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N2C[C@@H]([NH2+]CCF)[C@@H](n3ccnn3)C2)cc1	ZINC001129846523	938525889	/nfs/dbraw/zinc/52/58/89/938525889.db2.gz	ZKMZFBFFKGOJBP-MSOLQXFVSA-N	1	0	371.416	1.305	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)cnc3c2)C[C@@H]1n1ccnn1	ZINC001129854970	938528430	/nfs/dbraw/zinc/52/84/30/938528430.db2.gz	DQFCZONNWFOJAV-SJORKVTESA-N	1	0	365.441	1.466	20	30		FDEDRO
CCn1nccc1[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]Cc1ccccc1C#N	ZINC001129860114	938530860	/nfs/dbraw/zinc/53/08/60/938530860.db2.gz	QIOLHGWJGGFJKI-IEBWSBKVSA-N	1	0	367.453	1.758	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCCCO2)[C@@H](n2ccnn2)C1	ZINC001129879001	938536302	/nfs/dbraw/zinc/53/63/02/938536302.db2.gz	NGWQDNCDDBTUEM-KURKYZTESA-N	1	0	361.490	1.935	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC(F)(F)C2)C[C@@H]1n1ccnn1	ZINC001129887494	938540140	/nfs/dbraw/zinc/54/01/40/938540140.db2.gz	BPGUWQGUZZRPPF-ZNMIVQPWSA-N	1	0	351.401	1.468	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H]([NH2+]CCOC(C)C)[C@@H](n2ccnn2)C1	ZINC001129871110	938544805	/nfs/dbraw/zinc/54/48/05/938544805.db2.gz	DHKIHVVZUXMHOA-MSOLQXFVSA-N	1	0	361.490	1.813	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cn(CC)nc2C2CC2)C[C@@H]1n1ccnn1	ZINC001129875098	938546195	/nfs/dbraw/zinc/54/61/95/938546195.db2.gz	YFFFJTNHHVFHGU-SJORKVTESA-N	1	0	367.457	1.051	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(F)cccc2OC)C[C@@H]1n1ccnn1	ZINC001129876768	938547204	/nfs/dbraw/zinc/54/72/04/938547204.db2.gz	YYGWASSQQYKCGL-CABCVRRESA-N	1	0	357.389	1.104	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C/C=C\c2ccccc2F)C[C@@H]1n1ccnn1	ZINC001129906844	938548762	/nfs/dbraw/zinc/54/87/62/938548762.db2.gz	DCJXAALQOSQYIA-HQJRWBGDSA-N	1	0	367.428	1.886	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCn3nccc32)C[C@@H]1n1ccnn1	ZINC001129914821	938552876	/nfs/dbraw/zinc/55/28/76/938552876.db2.gz	IXIKZFZOSGJBIB-JZXOWHBKSA-N	1	0	369.473	1.360	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3nccn3C2)C[C@@H]1n1ccnn1	ZINC001129917052	938553769	/nfs/dbraw/zinc/55/37/69/938553769.db2.gz	JJSDXDOZJWWWTO-ZACQAIPSSA-N	1	0	369.473	1.045	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H]([NH2+]CC3CC(C)C3)[C@@H](n3ccnn3)C2)CCC1	ZINC001129894889	938556282	/nfs/dbraw/zinc/55/62/82/938556282.db2.gz	WUVNQNOWLOTQAV-HIEASXQVSA-N	1	0	355.486	1.859	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H]([NH2+]CCOC3CCC3)[C@@H](n3ccnn3)C2)CCC1	ZINC001129894916	938556485	/nfs/dbraw/zinc/55/64/85/938556485.db2.gz	XVWUUAUQCHYWJP-MSOLQXFVSA-N	1	0	371.485	1.382	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnc3n2CCC3)C[C@@H]1n1ccnn1	ZINC001129897665	938558216	/nfs/dbraw/zinc/55/82/16/938558216.db2.gz	GJBQVNJVJWIHNW-ZBFHGGJFSA-N	1	0	355.446	1.042	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc3cc[nH]c3n2)C[C@@H]1n1ccnn1	ZINC001129902412	938561477	/nfs/dbraw/zinc/56/14/77/938561477.db2.gz	JWWAACALQIKDNJ-SJORKVTESA-N	1	0	365.441	1.776	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)cc(OC)c2C)C[C@@H]1n1ccnn1	ZINC001129924824	938570694	/nfs/dbraw/zinc/57/06/94/938570694.db2.gz	JZFZKRDQWPNRKI-MSOLQXFVSA-N	1	0	367.453	1.582	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(=O)oc2C)C[C@@H]1n1ccnn1	ZINC001129926965	938571302	/nfs/dbraw/zinc/57/13/02/938571302.db2.gz	JNZBJPWROJEBKF-CVEARBPZSA-N	1	0	371.441	1.470	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)ccc2OC)C[C@@H]1n1ccnn1	ZINC001129927292	938571714	/nfs/dbraw/zinc/57/17/14/938571714.db2.gz	UHPNTBUCGSADPZ-SJORKVTESA-N	1	0	355.442	1.827	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2([C@H]3CCCCO3)CCC2)C[C@@H]1n1ccnn1	ZINC001129930892	938573245	/nfs/dbraw/zinc/57/32/45/938573245.db2.gz	XRSVRIRAZPSFLV-FGTMMUONSA-N	1	0	371.485	1.382	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2coc(OC)n2)C[C@@H]1n1ccnn1	ZINC001129949283	938574349	/nfs/dbraw/zinc/57/43/49/938574349.db2.gz	WTYBXOQLEGYFGG-GUTXKFCHSA-N	1	0	360.418	1.285	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]CCC(C)C)[C@@H](n3ccnn3)C2)cc1	ZINC001129954445	938576354	/nfs/dbraw/zinc/57/63/54/938576354.db2.gz	NLSZKUUCKFTMMT-MOPGFXCFSA-N	1	0	351.454	1.961	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@](C)(C=C)CCOC)C[C@@H]1n1ccnn1	ZINC001129954647	938576610	/nfs/dbraw/zinc/57/66/10/938576610.db2.gz	XZCQBPZRZBEIRI-AOIWGVFYSA-N	1	0	361.490	1.815	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(CC)nnc2C)C[C@@H]1n1ccnn1	ZINC001129943345	938580160	/nfs/dbraw/zinc/58/01/60/938580160.db2.gz	XKAZCXVXRPVKIP-MSOLQXFVSA-N	1	0	369.473	1.560	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H]([NH2+]CCOC2CCC2)[C@@H](n2ccnn2)C1	ZINC001129973065	938591771	/nfs/dbraw/zinc/59/17/71/938591771.db2.gz	ZXLMZYGZMJLJOC-MSOLQXFVSA-N	1	0	359.474	1.382	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1	ZINC001129977848	938593080	/nfs/dbraw/zinc/59/30/80/938593080.db2.gz	HXTCCHVQLOAGOT-NXHRZFHOSA-N	1	0	354.458	1.817	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H]([NH2+]CC2CCOCC2)[C@@H](n2ccnn2)C1	ZINC001129978019	938593346	/nfs/dbraw/zinc/59/33/46/938593346.db2.gz	OBJGUPOPMFRVIS-JQHSSLGASA-N	1	0	361.490	1.649	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H]([NH2+]Cc2cncn2C)[C@@H](n2ccnn2)C1	ZINC001129978030	938593423	/nfs/dbraw/zinc/59/34/23/938593423.db2.gz	OKRASFULHQSDTP-UAGQMJEPSA-N	1	0	357.462	1.156	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CCC)c2ccccn2)C[C@@H]1n1ccnn1	ZINC001129983306	938598034	/nfs/dbraw/zinc/59/80/34/938598034.db2.gz	WKWQBKGLUIQTGY-UHOSZYNNSA-N	1	0	366.469	1.622	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H]([NH2+]CCC[C@H](C)O)[C@@H](n3ccnn3)C2)CC1	ZINC001129994640	938603582	/nfs/dbraw/zinc/60/35/82/938603582.db2.gz	YZMFKUWXQBXQEV-JQHSSLGASA-N	1	0	361.490	1.527	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]([NH2+]Cc3cncn3C)[C@@H](n3ccnn3)C2)CCC1	ZINC001129996055	938604809	/nfs/dbraw/zinc/60/48/09/938604809.db2.gz	YVWMWOPIQISTBH-SJORKVTESA-N	1	0	369.473	1.300	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3nc[nH]c32)C[C@@H]1n1ccnn1	ZINC001130000622	938607762	/nfs/dbraw/zinc/60/77/62/938607762.db2.gz	HBKNZROZOKZKNJ-UAGQMJEPSA-N	1	0	369.473	1.429	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(F)cc(F)cc2F)C[C@@H]1n1ccnn1	ZINC001129989939	938612080	/nfs/dbraw/zinc/61/20/80/938612080.db2.gz	DAVFEMJVTVHQIL-CABCVRRESA-N	1	0	365.359	1.927	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@@H]1n1ccnn1	ZINC001130011852	938614435	/nfs/dbraw/zinc/61/44/35/938614435.db2.gz	ACGLEIOWUWSTBL-KONPQCLYSA-N	1	0	369.473	1.123	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C)O2)C[C@@H]1n1ccnn1	ZINC001130014466	938615746	/nfs/dbraw/zinc/61/57/46/938615746.db2.gz	NRTYCGAEOABTKO-ZJPYXAASSA-N	1	0	361.490	1.934	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)CCc2ccccc2F)C[C@@H]1n1ccnn1	ZINC001130006248	938623616	/nfs/dbraw/zinc/62/36/16/938623616.db2.gz	ZIBUDXLQLNMWRN-IPELMVKDSA-N	1	0	369.444	1.661	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C(C)C)nc2C)C[C@@H]1n1ccnn1	ZINC001130007636	938625331	/nfs/dbraw/zinc/62/53/31/938625331.db2.gz	OJNLZPWNYPCSMG-MOPGFXCFSA-N	1	0	366.469	1.784	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2nccc2C)C[C@@H]1n1ccnn1	ZINC001130024375	938628430	/nfs/dbraw/zinc/62/84/30/938628430.db2.gz	SORLVMGWCYLXEX-UAGQMJEPSA-N	1	0	357.462	1.179	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130024632	938628762	/nfs/dbraw/zinc/62/87/62/938628762.db2.gz	ZNBIULQUHJAJME-AQNXPRMDSA-N	1	0	365.481	1.912	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2sc(C)cc2OC)C[C@@H]1n1ccnn1	ZINC001130034614	938634932	/nfs/dbraw/zinc/63/49/32/938634932.db2.gz	USVQUPMKTUJNRU-KGLIPLIRSA-N	1	0	359.455	1.335	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCCC)[C@@H](n2ccnn2)C1	ZINC001130038268	938636293	/nfs/dbraw/zinc/63/62/93/938636293.db2.gz	VIQQWGOQXDBIFK-MHORFTMASA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCn2cccc2)C[C@@H]1n1ccnn1	ZINC001130056973	938641253	/nfs/dbraw/zinc/64/12/53/938641253.db2.gz	CICMCWSAXCEOMQ-KSZLIROESA-N	1	0	356.474	1.866	20	30		FDEDRO
C#CCCCS(=O)(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1	ZINC000805047839	938651563	/nfs/dbraw/zinc/65/15/63/938651563.db2.gz	DDLKAGWLUBSFQG-OALUTQOASA-N	1	0	369.575	1.999	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)nn(CCC)c2C)C[C@@H]1n1ccnn1	ZINC001130081283	938662500	/nfs/dbraw/zinc/66/25/00/938662500.db2.gz	HIHDOYSLVGPHPU-SJORKVTESA-N	1	0	369.473	1.180	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn([C@H](C)CC)c2C)C[C@@H]1n1ccnn1	ZINC001130077546	938670954	/nfs/dbraw/zinc/67/09/54/938670954.db2.gz	NDFWWDLNTWVGPZ-OLMNPRSZSA-N	1	0	371.489	1.985	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cccnc2)C[C@@H]1n1ccnn1	ZINC001130088909	938675595	/nfs/dbraw/zinc/67/55/95/938675595.db2.gz	OOHYCRZGMNFRJP-NXHRZFHOSA-N	1	0	354.458	1.785	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(Cl)no2)C[C@@H]1n1ccnn1	ZINC001130096220	938680654	/nfs/dbraw/zinc/68/06/54/938680654.db2.gz	BGQVBWSBIPSWHH-XQQFMLRXSA-N	1	0	364.837	1.930	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(C(F)F)c2)C[C@@H]1n1ccnn1	ZINC001130096544	938680924	/nfs/dbraw/zinc/68/09/24/938680924.db2.gz	KPDQIOSSALPVQA-CVEARBPZSA-N	1	0	359.380	1.894	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccccc2OC)C[C@@H]1n1ccnn1	ZINC001130100023	938682741	/nfs/dbraw/zinc/68/27/41/938682741.db2.gz	VZOUGRFTKFFLJS-SJORKVTESA-N	1	0	355.442	1.908	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)cc2)C[C@@H]1n1ccnn1	ZINC001130102129	938684232	/nfs/dbraw/zinc/68/42/32/938684232.db2.gz	IGDJGUXANJFFAK-MSOLQXFVSA-N	1	0	355.442	1.908	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(Cl)cc2)C[C@@H]1n1ccnn1	ZINC001130109586	938688396	/nfs/dbraw/zinc/68/83/96/938688396.db2.gz	BVAYZXFRLFFGON-SJORKVTESA-N	1	0	357.845	1.539	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2CCC(C(F)F)CC2)C[C@@H]1n1ccnn1	ZINC001130110039	938688992	/nfs/dbraw/zinc/68/89/92/938688992.db2.gz	QUPNORFXEDZINX-FJBKBRRZSA-N	1	0	365.428	1.714	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001130112770	938692659	/nfs/dbraw/zinc/69/26/59/938692659.db2.gz	QSCZARYQLLHVNE-QRQLOZEOSA-N	1	0	369.469	1.972	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)n(C(C)(C)C)n2)C[C@@H]1n1ccnn1	ZINC001130128069	938697934	/nfs/dbraw/zinc/69/79/34/938697934.db2.gz	ZBEDQASFTLMEDR-SJORKVTESA-N	1	0	371.489	1.769	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cncnc2C(C)C)C[C@@H]1n1ccnn1	ZINC001130129765	938699164	/nfs/dbraw/zinc/69/91/64/938699164.db2.gz	VRLNEOZAOADFDR-SJORKVTESA-N	1	0	369.473	1.813	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(=O)[nH]c2C)C[C@@H]1n1ccnn1	ZINC001130129815	938699471	/nfs/dbraw/zinc/69/94/71/938699471.db2.gz	YEZYBBRJCUSTCW-CVEARBPZSA-N	1	0	370.457	1.617	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(COC)cc2)C[C@@H]1n1ccnn1	ZINC001130118975	938701931	/nfs/dbraw/zinc/70/19/31/938701931.db2.gz	REYWSQHWHPSEOY-MSOLQXFVSA-N	1	0	353.426	1.103	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2nc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001130123719	938705625	/nfs/dbraw/zinc/70/56/25/938705625.db2.gz	ZEGHSWLEQPGIHB-KURKYZTESA-N	1	0	371.489	1.660	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2cc(C)sc2C)C[C@@H]1n1ccnn1	ZINC001130146409	938706391	/nfs/dbraw/zinc/70/63/91/938706391.db2.gz	QHVNISAOBXUMCS-MSOLQXFVSA-N	1	0	371.510	1.954	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C)n2nc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001130148128	938706988	/nfs/dbraw/zinc/70/69/88/938706988.db2.gz	HGQSLBSKVKKBGS-KSZLIROESA-N	1	0	371.489	1.660	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](F)Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130133919	938708505	/nfs/dbraw/zinc/70/85/05/938708505.db2.gz	JPLAVRPFTOLYSV-KSZLIROESA-N	1	0	357.433	1.777	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3[nH]c(=O)oc3c2)C[C@@H]1n1ccnn1	ZINC001130139853	938711652	/nfs/dbraw/zinc/71/16/52/938711652.db2.gz	JQJVHMUYVHYWIP-CABCVRRESA-N	1	0	368.397	1.356	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CCCOC(C)C)[C@@H](n2ccnn2)C1	ZINC001130150805	938715430	/nfs/dbraw/zinc/71/54/30/938715430.db2.gz	AHVRCAXZKFZPIL-BBWFWOEESA-N	1	0	365.478	1.026	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(CC)n(C)n2)C[C@@H]1n1ccnn1	ZINC001130155349	938718331	/nfs/dbraw/zinc/71/83/31/938718331.db2.gz	BPAWQKBAEPNAMZ-QGTPRVQTSA-N	1	0	371.489	1.584	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ncccc2OCC)C[C@@H]1n1ccnn1	ZINC001130160765	938721119	/nfs/dbraw/zinc/72/11/19/938721119.db2.gz	ANZGGDWDAIPQQX-CABCVRRESA-N	1	0	356.430	1.303	20	30		FDEDRO
CCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC#Cc2ccccc2)n[nH]1	ZINC001130177621	938725195	/nfs/dbraw/zinc/72/51/95/938725195.db2.gz	LJKZPKMYCUKLSL-IRXDYDNUSA-N	1	0	367.453	1.345	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccccc2C)n1	ZINC001130177740	938725567	/nfs/dbraw/zinc/72/55/67/938725567.db2.gz	RTWSXBBUSKWFJO-HOTGVXAUSA-N	1	0	353.426	1.138	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccnc2)[nH]1	ZINC001130180006	938727234	/nfs/dbraw/zinc/72/72/34/938727234.db2.gz	WIWRLNCAMUWIFM-HOTGVXAUSA-N	1	0	370.457	1.558	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2ccsc2)[nH]1	ZINC001130181905	938729252	/nfs/dbraw/zinc/72/92/52/938729252.db2.gz	WQYCCICBPGBRBO-KBPBESRZSA-N	1	0	361.471	1.373	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)COCC)[nH]1	ZINC001130187954	938734523	/nfs/dbraw/zinc/73/45/23/938734523.db2.gz	RWMWLKYVJQQILM-ILXRZTDVSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ncccc2C)[nH]1	ZINC001130195936	938739159	/nfs/dbraw/zinc/73/91/59/938739159.db2.gz	JLALVKSXNDQYSM-KBPBESRZSA-N	1	0	356.430	1.086	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cncc(C)c2)[nH]1	ZINC001130196134	938739512	/nfs/dbraw/zinc/73/95/12/938739512.db2.gz	UBXUVGDXGLDWBS-GJZGRUSLSA-N	1	0	356.430	1.086	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)=C2CCCC2)n1	ZINC001130198371	938740080	/nfs/dbraw/zinc/74/00/80/938740080.db2.gz	INVFJWMCRDIAEG-IRXDYDNUSA-N	1	0	371.485	1.797	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC=CCC2)n1	ZINC001130182973	938741944	/nfs/dbraw/zinc/74/19/44/938741944.db2.gz	JLIJGMZCYUDLPY-JYJNAYRXSA-N	1	0	357.458	1.263	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)SC)[nH]1	ZINC001130185119	938744475	/nfs/dbraw/zinc/74/44/75/938744475.db2.gz	XOVIRXUHASGIEC-AGIUHOORSA-N	1	0	353.492	1.211	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2coc(C)c2)n1	ZINC001130205154	938745928	/nfs/dbraw/zinc/74/59/28/938745928.db2.gz	SHRKIBXDZVUJEO-GJZGRUSLSA-N	1	0	357.414	1.122	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CC(C)(C)C2)[nH]1	ZINC001130207951	938747298	/nfs/dbraw/zinc/74/72/98/938747298.db2.gz	XWKCNJQVOODTTL-GJZGRUSLSA-N	1	0	361.490	1.895	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC2(C)C)n1	ZINC001130200546	938754198	/nfs/dbraw/zinc/75/41/98/938754198.db2.gz	PMLWDSNNYJIKIA-AVGNSLFASA-N	1	0	367.881	1.682	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H]2C=CCCC2)n1	ZINC001130221075	938756438	/nfs/dbraw/zinc/75/64/38/938756438.db2.gz	SNVZTAWVJYRVTB-JYJNAYRXSA-N	1	0	357.458	1.263	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)(C)C(C)(C)C)n1	ZINC001130225090	938759333	/nfs/dbraw/zinc/75/93/33/938759333.db2.gz	RVWVKWJFTCIAAV-KBPBESRZSA-N	1	0	361.490	1.589	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(C3CC3)CCC2)n1	ZINC001130229975	938763536	/nfs/dbraw/zinc/76/35/36/938763536.db2.gz	KYFWBQUTINYUHN-HOTGVXAUSA-N	1	0	371.485	1.487	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)C(C)(F)F)[nH]1	ZINC001130238059	938767335	/nfs/dbraw/zinc/76/73/35/938767335.db2.gz	RAXYWGIXLRUBTB-SRVKXCTJSA-N	1	0	357.405	1.360	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(CF)CCC2)[nH]1	ZINC001130238183	938767728	/nfs/dbraw/zinc/76/77/28/938767728.db2.gz	XTLZRHYYXQDDDL-STQMWFEESA-N	1	0	351.426	1.209	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC23CCCC3)[nH]1	ZINC001130244163	938770270	/nfs/dbraw/zinc/77/02/70/938770270.db2.gz	CGRCBPYSVHAZIJ-KKUMJFAQSA-N	1	0	359.474	1.649	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)C2CCCC2)n1	ZINC001130246342	938771872	/nfs/dbraw/zinc/77/18/72/938771872.db2.gz	GREMWPDGWMDHBK-BPUTZDHNSA-N	1	0	359.474	1.343	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)c2cccnc2)[nH]1	ZINC001130249162	938773463	/nfs/dbraw/zinc/77/34/63/938773463.db2.gz	MWQZQEGCTZRRRS-BPUTZDHNSA-N	1	0	370.457	1.268	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(Cl)no2)[nH]1	ZINC001130249225	938773644	/nfs/dbraw/zinc/77/36/44/938773644.db2.gz	QLBJELOUHSZEBW-ONGXEEELSA-N	1	0	366.809	1.024	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2ccc[nH]2)[nH]1	ZINC001130251160	938774319	/nfs/dbraw/zinc/77/43/19/938774319.db2.gz	FSGFUISLKCYLDE-GJZGRUSLSA-N	1	0	358.446	1.030	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccoc2C(C)C)n1	ZINC001130253846	938775503	/nfs/dbraw/zinc/77/55/03/938775503.db2.gz	SEUNXYIXAXRMJP-ZFWWWQNUSA-N	1	0	371.441	1.546	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C1=O	ZINC001130272716	938785963	/nfs/dbraw/zinc/78/59/63/938785963.db2.gz	GQZZEZAKGIJWBZ-RDBSUJKOSA-N	1	0	361.408	1.848	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)/C=C(/C)C2CC2)CC1	ZINC001130274242	938786131	/nfs/dbraw/zinc/78/61/31/938786131.db2.gz	CUAGKNVSCXPSLK-LDPWETCSSA-N	1	0	357.498	1.841	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC(F)(F)F)CC1	ZINC001130278785	938788829	/nfs/dbraw/zinc/78/88/29/938788829.db2.gz	CFEIDJHDLSKBBL-CJNGLKHVSA-N	1	0	359.392	1.438	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCCC)CC1	ZINC001130279022	938789345	/nfs/dbraw/zinc/78/93/45/938789345.db2.gz	PZMWIVAVVGWUOA-XLIONFOSSA-N	1	0	365.518	1.855	20	30		FDEDRO
C/C=C(\C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC#CCOC)CC1	ZINC001130286170	938791111	/nfs/dbraw/zinc/79/11/11/938791111.db2.gz	ZUXUPRMFMQFSMR-IGIQSJQVSA-N	1	0	361.486	1.078	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1	ZINC001130292792	938796368	/nfs/dbraw/zinc/79/63/68/938796368.db2.gz	BPZSNVYJCNMZEQ-QAPCUYQASA-N	1	0	351.491	1.056	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](CCC)OC)CC1	ZINC001130295554	938797820	/nfs/dbraw/zinc/79/78/20/938797820.db2.gz	HTFNFMMZWRINHB-AOIWGVFYSA-N	1	0	363.502	1.300	20	30		FDEDRO
C=CCOCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCCF)CC1	ZINC001130295627	938798037	/nfs/dbraw/zinc/79/80/37/938798037.db2.gz	KQJYSROKHBDPLM-APWZRJJASA-N	1	0	369.481	1.414	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2(CCF)CC2)CC1	ZINC001130298768	938799033	/nfs/dbraw/zinc/79/90/33/938799033.db2.gz	FUWAEPLCFUBUKD-WBVHZDCISA-N	1	0	351.466	1.788	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)CCCOC)CC1	ZINC001130307051	938804855	/nfs/dbraw/zinc/80/48/55/938804855.db2.gz	GQQJAQUQHHMBQO-SUMDDJOVSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC#CC)CC1	ZINC001130312947	938807432	/nfs/dbraw/zinc/80/74/32/938807432.db2.gz	FWTVPSBKRYZQAV-WDYCEAGBSA-N	1	0	361.486	1.076	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnccn2)C[C@H]1c1cn(C)cn1	ZINC001130480661	938875928	/nfs/dbraw/zinc/87/59/28/938875928.db2.gz	ZNSCSDOSISQNHI-RLFYNMQTSA-N	1	0	354.458	1.763	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnc(C)cn2)C[C@H]1c1cn(C)cn1	ZINC001130480649	938875966	/nfs/dbraw/zinc/87/59/66/938875966.db2.gz	YUIJSBXNIVSKDJ-MAUKXSAKSA-N	1	0	354.458	1.683	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cc(C)no2)C[C@H]1c1cn(C)cn1	ZINC001130490694	938881352	/nfs/dbraw/zinc/88/13/52/938881352.db2.gz	PLMATPNSVTWYBV-GOEBONIOSA-N	1	0	359.430	1.117	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2C)C[C@H]1c1cn(C)cn1	ZINC001130497856	938882240	/nfs/dbraw/zinc/88/22/40/938882240.db2.gz	HVASRMDHPAXQHZ-FUHWJXTLSA-N	1	0	356.474	1.626	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCn2cccn2)C[C@H]1c1cn(C)cn1	ZINC001130500199	938883718	/nfs/dbraw/zinc/88/37/18/938883718.db2.gz	BDKSRMVUXUDJOL-FUHWJXTLSA-N	1	0	356.474	1.557	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@H](CC)OC)C1	ZINC001130573806	939874208	/nfs/dbraw/zinc/87/42/08/939874208.db2.gz	AGZCPGWPWKNJHI-JENIJYKNSA-N	1	0	360.502	1.923	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC/C=C/CC)C1	ZINC001130574067	939874479	/nfs/dbraw/zinc/87/44/79/939874479.db2.gz	LURMRUJFMVMIHI-UZVJXGLGSA-N	1	0	360.502	1.988	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCC(C)C)C1	ZINC001130586857	939886995	/nfs/dbraw/zinc/88/69/95/939886995.db2.gz	AIWVLIDEUSGGMF-PKOBYXMFSA-N	1	0	360.502	1.780	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cn(C)nc2C)C1	ZINC001130578515	939891043	/nfs/dbraw/zinc/89/10/43/939891043.db2.gz	QCIKHAYTZPTPFF-PKOBYXMFSA-N	1	0	368.485	1.350	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCCCC)C1	ZINC001130593203	939900379	/nfs/dbraw/zinc/90/03/79/939900379.db2.gz	VKEHTRYKQRIUDS-ZIFCJYIRSA-N	1	0	360.502	1.923	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2coc(OCC)n2)C[C@H]1c1cn(C)cn1	ZINC001130622063	939920506	/nfs/dbraw/zinc/92/05/06/939920506.db2.gz	NQKURTDXTMKGEW-DZGCQCFKSA-N	1	0	357.414	1.028	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2ccon2)C[C@H]1c1cn(C)cn1	ZINC001130625950	939923608	/nfs/dbraw/zinc/92/36/08/939923608.db2.gz	DOPYSFNGNITSGU-FUHWJXTLSA-N	1	0	357.458	1.891	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cncc(CC)c2)C[C@H]1c1cn(C)cn1	ZINC001130628313	939929139	/nfs/dbraw/zinc/92/91/39/939929139.db2.gz	KTXNMCLNICLYPO-PKOBYXMFSA-N	1	0	351.454	1.599	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2onc3c2CCCC3)C[C@H]1c1cn(C)cn1	ZINC001130628535	939933964	/nfs/dbraw/zinc/93/39/64/939933964.db2.gz	WPZFMFOUSPQDNY-MAUKXSAKSA-N	1	0	367.453	1.508	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@](C)(C=C)CCOC)C[C@H]1c1cn(C)cn1	ZINC001130637784	939939812	/nfs/dbraw/zinc/93/98/12/939939812.db2.gz	LPSTWLNFGICHGG-ILZDJORESA-N	1	0	358.486	1.556	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOCC)C1	ZINC001130639706	939941729	/nfs/dbraw/zinc/94/17/29/939941729.db2.gz	MFNVJCPQNLNVHO-PKOBYXMFSA-N	1	0	360.502	1.924	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc3n2CCCC3)C[C@H]1c1cn(C)cn1	ZINC001130654278	939947884	/nfs/dbraw/zinc/94/78/84/939947884.db2.gz	CXGLSXBNUYERIR-DOTOQJQBSA-N	1	0	368.485	1.727	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cccnc2C)C[C@H]1c1cn(C)cn1	ZINC001130656833	939960905	/nfs/dbraw/zinc/96/09/05/939960905.db2.gz	RZTCRXKSYIIOBD-PKOBYXMFSA-N	1	0	369.469	1.524	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cccnc2OC)C[C@H]1c1cn(C)cn1	ZINC001130659581	939965575	/nfs/dbraw/zinc/96/55/75/939965575.db2.gz	RLCORGKXDRZDDO-FUHWJXTLSA-N	1	0	369.469	1.988	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2conc2C)C[C@H]1c1cn(C)cn1	ZINC001130659552	939965615	/nfs/dbraw/zinc/96/56/15/939965615.db2.gz	QMYUQBVEUAAOPI-WMLDXEAASA-N	1	0	359.430	1.117	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2ccco2)C[C@H]1c1cn(C)cn1	ZINC001130671886	939970565	/nfs/dbraw/zinc/97/05/65/939970565.db2.gz	AOEHANDBOOQPJM-SOLBZPMBSA-N	1	0	370.453	1.351	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C)O2)C[C@H]1c1cn(C)cn1	ZINC001130677928	939974174	/nfs/dbraw/zinc/97/41/74/939974174.db2.gz	IHGXCZNBPLCJGK-CYGHRXIMSA-N	1	0	362.474	1.074	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]C[C@H](C)CC)C2)nn1	ZINC001130687634	939977558	/nfs/dbraw/zinc/97/75/58/939977558.db2.gz	JKXUOPAQRNPCDS-HLLBOEOZSA-N	1	0	371.489	1.442	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)CNC(C)=O)C[C@H]1c1cn(C)cn1	ZINC001130690096	939979978	/nfs/dbraw/zinc/97/99/78/939979978.db2.gz	WRTOECHHJSDHOU-DOTOQJQBSA-N	1	0	361.490	1.043	20	30		FDEDRO
CC[NH+](CC)[C@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCC#N)C1)C(C)C	ZINC001130692582	939981329	/nfs/dbraw/zinc/98/13/29/939981329.db2.gz	RTYRKENDBRFJJJ-JQHSSLGASA-N	1	0	360.506	1.194	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130712866	939999779	/nfs/dbraw/zinc/99/97/79/939999779.db2.gz	OYIGPFASSNENQV-DOTOQJQBSA-N	1	0	370.501	1.971	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]C[C@H](F)CC)C2)nc1	ZINC001130714838	940006676	/nfs/dbraw/zinc/00/66/76/940006676.db2.gz	LMHNUWJUPXJBHP-JTDSTZFVSA-N	1	0	369.444	1.742	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2cccc(OC)c2)C[C@H]1c1cn(C)cn1	ZINC001130723221	940028029	/nfs/dbraw/zinc/02/80/29/940028029.db2.gz	FOZIWOGIJGVUIS-AZUAARDMSA-N	1	0	366.465	1.579	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cncnc2CC)C[C@H]1c1cn(C)cn1	ZINC001130725965	940030457	/nfs/dbraw/zinc/03/04/57/940030457.db2.gz	IZMSJYOLUPWGMD-MAUKXSAKSA-N	1	0	354.458	1.546	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2COC(=O)N(C)C)CC1	ZINC000806746789	940044279	/nfs/dbraw/zinc/04/42/79/940044279.db2.gz	KKWQXTBLXDHZBE-MRXNPFEDSA-N	1	0	352.479	1.899	20	30		FDEDRO
C=C[C@H](CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1)c1ccccc1	ZINC001130731417	940044949	/nfs/dbraw/zinc/04/49/49/940044949.db2.gz	CRMJGGJGXIKBQY-IMFGXOCKSA-N	1	0	368.481	1.656	20	30		FDEDRO
C=C[C@@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCO)C1)c1ccccc1	ZINC001130731708	940045272	/nfs/dbraw/zinc/04/52/72/940045272.db2.gz	MEUYJDHPKOBOOA-WSTZPKSXSA-N	1	0	368.481	1.656	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cccnc2)C1	ZINC001130741862	940046296	/nfs/dbraw/zinc/04/62/96/940046296.db2.gz	SQWPWFFCDXFJQF-VDZJLULYSA-N	1	0	369.469	1.490	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ncccc2OCC)C[C@H]1c1cn(C)cn1	ZINC001130747604	940053448	/nfs/dbraw/zinc/05/34/48/940053448.db2.gz	ZRIWTFSWHWSBRP-DOTOQJQBSA-N	1	0	367.453	1.435	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCC3CCCC3)n2)O1	ZINC001130753236	940062834	/nfs/dbraw/zinc/06/28/34/940062834.db2.gz	YKVWZRYRPYNNEE-JKSUJKDBSA-N	1	0	359.474	1.834	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cccn3C)n2)O1	ZINC001130762009	940069100	/nfs/dbraw/zinc/06/91/00/940069100.db2.gz	LKMRWUYTOZCQAM-DZGCQCFKSA-N	1	0	358.446	1.459	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccoc3C)n2)O1	ZINC001130756500	940078587	/nfs/dbraw/zinc/07/85/87/940078587.db2.gz	KKAQEQUBHZDRHX-DZGCQCFKSA-N	1	0	357.414	1.469	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCSCC)n2)O1	ZINC001130759652	940086673	/nfs/dbraw/zinc/08/66/73/940086673.db2.gz	DAXQQELDILOFLQ-UONOGXRCSA-N	1	0	365.503	1.397	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cccc(C)n3)n2)O1	ZINC001130759664	940086761	/nfs/dbraw/zinc/08/67/61/940086761.db2.gz	DUPVLJMYHFKTAL-GOEBONIOSA-N	1	0	368.441	1.271	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cncs3)n2)O1	ZINC001130759735	940087558	/nfs/dbraw/zinc/08/75/58/940087558.db2.gz	IODJUDSHOBTACO-NWDGAFQWSA-N	1	0	360.443	1.024	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCSCC)n2)O1	ZINC001130759937	940087901	/nfs/dbraw/zinc/08/79/01/940087901.db2.gz	RZBBCCPDSJCQBN-UONOGXRCSA-N	1	0	367.519	1.950	20	30		FDEDRO
CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(C#N)[nH]3)n2)O1	ZINC001130775087	940091688	/nfs/dbraw/zinc/09/16/88/940091688.db2.gz	KZXYDPZVTUJQNL-GXTWGEPZSA-N	1	0	357.418	1.154	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C)nc3)C2)C1=O	ZINC001086646616	940098730	/nfs/dbraw/zinc/09/87/30/940098730.db2.gz	CCFBYEQLYFZMAX-JQHSSLGASA-N	1	0	356.470	1.665	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cocn3)n2)O1	ZINC001130767408	940100744	/nfs/dbraw/zinc/10/07/44/940100744.db2.gz	HUIBWQRNPRFYJA-GXTWGEPZSA-N	1	0	360.418	1.499	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCCOC)n2)O1	ZINC001130767347	940100881	/nfs/dbraw/zinc/10/08/81/940100881.db2.gz	FUVMSQJWXFYWTE-LSDHHAIUSA-N	1	0	365.478	1.623	20	30		FDEDRO
C=CCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC(=C)Cl)O2)n[nH]1	ZINC001130770285	940109174	/nfs/dbraw/zinc/10/91/74/940109174.db2.gz	ZRPXOZNJYUNLMA-QWHCGFSZSA-N	1	0	353.854	1.949	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[C@@H]3CCOC3)n2)O1	ZINC001130772688	940113541	/nfs/dbraw/zinc/11/35/41/940113541.db2.gz	XRKZJCAPJPVMIN-QLFBSQMISA-N	1	0	363.462	1.233	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3coc(C)c3)n2)O1	ZINC001130776848	940126914	/nfs/dbraw/zinc/12/69/14/940126914.db2.gz	OIWHDSQVDYUPDG-LSDHHAIUSA-N	1	0	357.414	1.469	20	30		FDEDRO
C#CCCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCC#C)O2)n[nH]1	ZINC001130776837	940127240	/nfs/dbraw/zinc/12/72/40/940127240.db2.gz	NVQVLONQBAFKND-JKSUJKDBSA-N	1	0	357.458	1.448	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](CC)SC)n2)O1	ZINC001130777223	940128314	/nfs/dbraw/zinc/12/83/14/940128314.db2.gz	XJBXNNHOWQRIBL-YNEHKIRRSA-N	1	0	351.476	1.005	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C=Cc3ccc[nH]3)n2)O1	ZINC001130777192	940128339	/nfs/dbraw/zinc/12/83/39/940128339.db2.gz	WDHIFONWXDQQSU-HPRJGHKQSA-N	1	0	368.441	1.295	20	30		FDEDRO
C#CCCCNC(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21	ZINC000806911435	940138909	/nfs/dbraw/zinc/13/89/09/940138909.db2.gz	BZZHTJJSDMOOGI-SLFFLAALSA-N	1	0	367.493	1.933	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)CC(F)F)n2)O1	ZINC001130794387	940146464	/nfs/dbraw/zinc/14/64/64/940146464.db2.gz	UWXBWTWPJXKNQO-FRRDWIJNSA-N	1	0	369.416	1.545	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](CCC)OCC)n2)O1	ZINC001130796130	940149971	/nfs/dbraw/zinc/14/99/71/940149971.db2.gz	JHOSKYHIKTVGDT-ZNMIVQPWSA-N	1	0	363.462	1.069	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C)co3)n2)O1	ZINC001130796201	940150033	/nfs/dbraw/zinc/15/00/33/940150033.db2.gz	LUEKVVWEHQPRQG-UONOGXRCSA-N	1	0	357.414	1.469	20	30		FDEDRO
C=CC(C)(C)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCO)O2)n[nH]1	ZINC001130787537	940157220	/nfs/dbraw/zinc/15/72/20/940157220.db2.gz	WXYBEJRFTMCJTL-UONOGXRCSA-N	1	0	365.478	1.215	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(C)(C)CC(F)F)n2)O1	ZINC001130790112	940162142	/nfs/dbraw/zinc/16/21/42/940162142.db2.gz	IHPDATMFQUQPAO-NWDGAFQWSA-N	1	0	369.416	1.545	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C34CCC(CC3)C4)n2)O1	ZINC001130790100	940162545	/nfs/dbraw/zinc/16/25/45/940162545.db2.gz	HOHWNSHJBHNFPN-QNBXZPKWSA-N	1	0	371.485	1.834	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000822900797	945301453	/nfs/dbraw/zinc/30/14/53/945301453.db2.gz	RDTVWJSWZLFBDK-RBUKOAKNSA-N	1	0	370.497	1.481	20	30		FDEDRO
C=C1CC(C)(C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCF)O3)n[nH]2)C1	ZINC001130809271	940187785	/nfs/dbraw/zinc/18/77/85/940187785.db2.gz	PGYMWALTNMYWQA-QWHCGFSZSA-N	1	0	351.426	1.556	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1	ZINC001130799589	940193078	/nfs/dbraw/zinc/19/30/78/940193078.db2.gz	NYKOVUAVGMBSBT-QWHCGFSZSA-N	1	0	353.442	1.802	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3CC4(CCC4)C3)n2)O1	ZINC001130802237	940196515	/nfs/dbraw/zinc/19/65/15/940196515.db2.gz	JJIVIYIXFRWPBB-LSDHHAIUSA-N	1	0	359.474	1.997	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(OC)cc3)n2)O1	ZINC001130815877	940216317	/nfs/dbraw/zinc/21/63/17/940216317.db2.gz	DRMVKVRHKOAOER-JKSUJKDBSA-N	1	0	371.441	1.739	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC[C@H](C)CC3)n2)O1	ZINC001130816335	940217803	/nfs/dbraw/zinc/21/78/03/940217803.db2.gz	ROSOCMBFKBTEEU-YHUYYLMFSA-N	1	0	359.474	1.690	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)c3cccnc3)n2)O1	ZINC001130816162	940218401	/nfs/dbraw/zinc/21/84/01/940218401.db2.gz	MYWQDAKCOIBHGS-VNQPRFMTSA-N	1	0	368.441	1.063	20	30		FDEDRO
C#C[C@H](CCC)NC(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1	ZINC000807035450	940225508	/nfs/dbraw/zinc/22/55/08/940225508.db2.gz	PBYNRBPQGUNGBW-OAHLLOKOSA-N	1	0	372.469	1.824	20	30		FDEDRO
Cn1cncc1[C@@H]1CN(C(=O)C2CC2)C[C@H]1[NH2+]CC#Cc1ccc(F)cc1	ZINC001130889050	940287287	/nfs/dbraw/zinc/28/72/87/940287287.db2.gz	RBROYPWURWPSLW-RTBURBONSA-N	1	0	366.440	1.905	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1c1cncn1C	ZINC001130897887	940301499	/nfs/dbraw/zinc/30/14/99/940301499.db2.gz	PVHFOIZZRDMMSD-IAGOWNOFSA-N	1	0	355.442	1.218	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@H]2C=CCC2)C[C@H]1c1cncn1C	ZINC001130906050	940313024	/nfs/dbraw/zinc/31/30/24/940313024.db2.gz	JEECEFFWZBECQX-RCCFBDPRSA-N	1	0	358.486	1.863	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC(C)(C)C)C[C@H]1c1cncn1C	ZINC001130913091	940322580	/nfs/dbraw/zinc/32/25/80/940322580.db2.gz	OLUZXJBSQBFSPV-HUUCEWRRSA-N	1	0	361.490	1.043	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCCCOC)C1	ZINC001130948731	940347443	/nfs/dbraw/zinc/34/74/43/940347443.db2.gz	VFIPXWIFMZEEFI-IAGOWNOFSA-N	1	0	364.490	1.323	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2=CCCC2)C[C@H]1c1cncn1C	ZINC001130961287	940367127	/nfs/dbraw/zinc/36/71/27/940367127.db2.gz	BBXCBNOGHZUKBE-DJIMGWMZSA-N	1	0	371.485	1.105	20	30		FDEDRO
C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1c1cncn1C	ZINC001130961530	940367140	/nfs/dbraw/zinc/36/71/40/940367140.db2.gz	JIHPSPKSVYBWHH-JGGQBBKZSA-N	1	0	358.421	1.566	20	30		FDEDRO
CC(C)OCC[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1c1cncn1C	ZINC001130961948	940367660	/nfs/dbraw/zinc/36/76/60/940367660.db2.gz	ZOHFHRFCPMCJPX-NVXWUHKLSA-N	1	0	370.457	1.243	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1c1cncn1C	ZINC001130969234	940377132	/nfs/dbraw/zinc/37/71/32/940377132.db2.gz	VWPSQDDTVZVFTG-IAGOWNOFSA-N	1	0	352.442	1.784	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2conc2C)C1	ZINC001130964642	940386941	/nfs/dbraw/zinc/38/69/41/940386941.db2.gz	WIAOUUTYEUWXRF-QZTJIDSGSA-N	1	0	369.469	1.994	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cc[nH]c2CC)C[C@H]1c1cncn1C	ZINC001130978250	940391056	/nfs/dbraw/zinc/39/10/56/940391056.db2.gz	ZWDHGECEOYSOBV-SJLPKXTDSA-N	1	0	371.485	1.711	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2nnc(C)o2)C[C@H]1c1cncn1C	ZINC001130977954	940409027	/nfs/dbraw/zinc/40/90/27/940409027.db2.gz	JPRQYXZHNNLSCJ-HUUCEWRRSA-N	1	0	358.446	1.204	20	30		FDEDRO
C=CCCOCCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1	ZINC001130989094	940411167	/nfs/dbraw/zinc/41/11/67/940411167.db2.gz	UYAFSWXXJOLQCA-IAGOWNOFSA-N	1	0	364.490	1.059	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccccc2)C1	ZINC001130988976	940411348	/nfs/dbraw/zinc/41/13/48/940411348.db2.gz	RKIDTYJITKKHDG-QXAKKESOSA-N	1	0	366.465	1.543	20	30		FDEDRO
C=CCn1c(Cc2noc([C@H]3CC[NH2+][C@@H]3CC)n2)nnc1N1CCOCC1	ZINC000822942581	945324311	/nfs/dbraw/zinc/32/43/11/945324311.db2.gz	ZPMKARSLVNGSCT-UONOGXRCSA-N	1	0	373.461	1.130	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc3n[nH]nc32)C[C@H]1c1cncn1C	ZINC001130995621	940419559	/nfs/dbraw/zinc/41/95/59/940419559.db2.gz	IRLXMWZCKIDGDC-GDBMZVCRSA-N	1	0	365.441	1.465	20	30		FDEDRO
CCO[C@@H](C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1cncn1C)C1CC1	ZINC001130985854	940423430	/nfs/dbraw/zinc/42/34/30/940423430.db2.gz	SDKFCSATXLUMOC-GGPKGHCWSA-N	1	0	370.497	1.533	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cn2ccc(C)n2)C[C@H]1c1cncn1C	ZINC001131001486	940427906	/nfs/dbraw/zinc/42/79/06/940427906.db2.gz	CKMIQYCCWDMEOH-KBAYOESNSA-N	1	0	370.501	1.721	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccnn2C)C1	ZINC001131001737	940428176	/nfs/dbraw/zinc/42/81/76/940428176.db2.gz	LXOKTFLMOAWSPF-IAGOWNOFSA-N	1	0	356.474	1.594	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOC)C1	ZINC001130998843	940435462	/nfs/dbraw/zinc/43/54/62/940435462.db2.gz	COTUSIVHKMHYAX-ZIAGYGMSSA-N	1	0	354.882	1.729	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)c2C)C[C@H]1c1cncn1C	ZINC001130999556	940436022	/nfs/dbraw/zinc/43/60/22/940436022.db2.gz	UCSUCUMEVJHLOP-QZTJIDSGSA-N	1	0	370.501	1.555	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1c1cncn1C	ZINC001131010700	940441820	/nfs/dbraw/zinc/44/18/20/940441820.db2.gz	ZDAOUUGGLWWSOA-LHHMISFZSA-N	1	0	362.474	1.074	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnc(Cl)n2C)C[C@H]1c1cncn1C	ZINC001131031564	940449569	/nfs/dbraw/zinc/44/95/69/940449569.db2.gz	RBGCOJSSKZMZKP-CHWSQXEVSA-N	1	0	360.849	1.028	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2cncnc2)C[C@H]1c1cncn1C	ZINC001131031074	940450621	/nfs/dbraw/zinc/45/06/21/940450621.db2.gz	GPUDRURSRCVNEG-QZTJIDSGSA-N	1	0	368.485	1.693	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ncccc2CC)C[C@H]1c1cncn1C	ZINC001131020334	940452614	/nfs/dbraw/zinc/45/26/14/940452614.db2.gz	QOHAEGVMLGCWNR-IAGOWNOFSA-N	1	0	351.454	1.599	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1	ZINC000807684654	940455543	/nfs/dbraw/zinc/45/55/43/940455543.db2.gz	JKGFAHHXLFYNIN-UHFFFAOYSA-N	1	0	372.307	1.925	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(=O)oc2C)C[C@H]1c1cncn1C	ZINC001131025903	940458987	/nfs/dbraw/zinc/45/89/87/940458987.db2.gz	JMTPGGARBSGFLT-HZPDHXFCSA-N	1	0	368.437	1.211	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)c(OC)c2)C[C@H]1c1cncn1C	ZINC001131025947	940459091	/nfs/dbraw/zinc/45/90/91/940459091.db2.gz	LMYZJVNHXCJKBM-QZTJIDSGSA-N	1	0	366.465	1.958	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3[nH]ccc3n2)C[C@H]1c1cncn1C	ZINC001131028862	940463614	/nfs/dbraw/zinc/46/36/14/940463614.db2.gz	MYZJANQHIJHZMS-RDTXWAMCSA-N	1	0	362.437	1.518	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2snnc2CC)C[C@H]1c1cncn1C	ZINC001131029005	940464074	/nfs/dbraw/zinc/46/40/74/940464074.db2.gz	VUHKOANUDDLHFQ-TZMCWYRMSA-N	1	0	358.471	1.055	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(OC)ccn2)C[C@H]1c1cncn1C	ZINC001131040019	940467900	/nfs/dbraw/zinc/46/79/00/940467900.db2.gz	HQMRWYDVQUQXNV-SJLPKXTDSA-N	1	0	369.469	1.988	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@@H](C)OC)C1	ZINC001131044187	940473217	/nfs/dbraw/zinc/47/32/17/940473217.db2.gz	RXOLTEKXJOHUFU-KZNAEPCWSA-N	1	0	360.502	1.923	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)C(F)F)C[C@H]1c1cncn1C	ZINC001131067070	940482609	/nfs/dbraw/zinc/48/26/09/940482609.db2.gz	RFXRPZSJJJLCNN-ZIAGYGMSSA-N	1	0	368.428	1.245	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC[C@@H](C)F)C2)c1	ZINC001131068321	940483362	/nfs/dbraw/zinc/48/33/62/940483362.db2.gz	YSCKWICCMJOJAU-ZTFGCOKTSA-N	1	0	369.444	1.742	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnnn2C)C1	ZINC001131079809	940487192	/nfs/dbraw/zinc/48/71/92/940487192.db2.gz	WGPKLWHGOYCYSR-HZPDHXFCSA-N	1	0	371.489	1.235	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2c(C)noc2C)C[C@H]1c1cncn1C	ZINC001131089645	940494950	/nfs/dbraw/zinc/49/49/50/940494950.db2.gz	RNEOYIKGDKWWNR-KBRIMQKVSA-N	1	0	369.469	1.736	20	30		FDEDRO
COc1ccc(CNC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1C#N	ZINC000747433445	940496257	/nfs/dbraw/zinc/49/62/57/940496257.db2.gz	WVSGDGWKIATXBO-SFHVURJKSA-N	1	0	371.485	1.488	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ncccn2)C[C@H]1c1cncn1C	ZINC001131093774	940496498	/nfs/dbraw/zinc/49/64/98/940496498.db2.gz	JIHKONCXYXGPPX-BZUAXINKSA-N	1	0	354.458	1.763	20	30		FDEDRO
COc1ccc(CNC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1C#N	ZINC000747435885	940497898	/nfs/dbraw/zinc/49/78/98/940497898.db2.gz	RMIYYDOOCNGCOC-KRWDZBQOSA-N	1	0	360.458	1.819	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCC(=O)NCCC)C[C@H]1c1cncn1C	ZINC001131110457	940498260	/nfs/dbraw/zinc/49/82/60/940498260.db2.gz	OQZPNFJRCIANRX-HZPDHXFCSA-N	1	0	361.490	1.187	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCCC)C2)nc1	ZINC001131110728	940498387	/nfs/dbraw/zinc/49/83/87/940498387.db2.gz	WRBAKUOZBQGGGQ-SJLPKXTDSA-N	1	0	351.454	1.794	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COc2ccccc2)C[C@H]1c1cncn1C	ZINC001131113150	940499142	/nfs/dbraw/zinc/49/91/42/940499142.db2.gz	VRDOKKLCTLNKCO-QZTJIDSGSA-N	1	0	354.454	1.959	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]C[C@@H](F)CC)C2)cn1	ZINC001131112841	940499197	/nfs/dbraw/zinc/49/91/97/940499197.db2.gz	QAYSALKDJJMBLJ-CGTJXYLNSA-N	1	0	369.444	1.742	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccccc2OC)C[C@H]1c1cncn1C	ZINC001131113074	940499215	/nfs/dbraw/zinc/49/92/15/940499215.db2.gz	SETYRKAQDFEXTD-IAGOWNOFSA-N	1	0	352.438	1.650	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C)cc2=O)C[C@H]1c1cncn1C	ZINC001131101334	940500522	/nfs/dbraw/zinc/50/05/22/940500522.db2.gz	VZMCLADAPCGHOP-IAGOWNOFSA-N	1	0	369.469	1.581	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2cccc(OC)c2)C[C@H]1c1cncn1C	ZINC001131117624	940504491	/nfs/dbraw/zinc/50/44/91/940504491.db2.gz	IEIDQQSLDZYOHN-RTBURBONSA-N	1	0	366.465	1.579	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccccc2C)C[C@H]1c1cncn1C	ZINC001131119839	940505639	/nfs/dbraw/zinc/50/56/39/940505639.db2.gz	ZFFJKSUHIXSFJR-RTBURBONSA-N	1	0	350.466	1.879	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2c(C)n[nH]c2C)C[C@H]1c1cncn1C	ZINC001131120859	940506320	/nfs/dbraw/zinc/50/63/20/940506320.db2.gz	AAYAKMHTBCBDQY-QZTJIDSGSA-N	1	0	370.501	1.853	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)COc2ccccc2)C[C@H]1c1cncn1C	ZINC001131123727	940507231	/nfs/dbraw/zinc/50/72/31/940507231.db2.gz	QEFOSMQQGGHOFG-BHIYHBOVSA-N	1	0	366.465	1.652	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CN(CC)c2ccccc2)C[C@H]1c1cncn1C	ZINC001131125574	940507752	/nfs/dbraw/zinc/50/77/52/940507752.db2.gz	HNJXRYSXXXLICW-RTBURBONSA-N	1	0	365.481	1.464	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(=O)[nH]c2C)C[C@H]1c1cncn1C	ZINC001131125557	940507784	/nfs/dbraw/zinc/50/77/84/940507784.db2.gz	GTNVZVBKNKBINX-HZPDHXFCSA-N	1	0	367.453	1.359	20	30		FDEDRO
C[C@@H](NC(=S)NN=C1c2ccccc2N(CC[NH+](C)C)C1=O)C1CC1	ZINC000807975317	940508456	/nfs/dbraw/zinc/50/84/56/940508456.db2.gz	OMGVCGXKYKASEY-GFCCVEGCSA-N	1	0	359.499	1.562	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)cn2)C[C@H]1c1cncn1C	ZINC001131128024	940509956	/nfs/dbraw/zinc/50/99/56/940509956.db2.gz	QYMXDFIXZDPVHQ-SJLPKXTDSA-N	1	0	366.469	1.102	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCOCC)C1	ZINC001131132378	940512437	/nfs/dbraw/zinc/51/24/37/940512437.db2.gz	HPMUDQQTOMZRCL-GVDBMIGSSA-N	1	0	364.490	1.322	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2C2CC2)C[C@H]1c1cncn1C	ZINC001131136222	940513369	/nfs/dbraw/zinc/51/33/69/940513369.db2.gz	BZSUJWGEELQOMG-IAGOWNOFSA-N	1	0	368.485	1.805	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccccc2N(C)C)C[C@H]1c1cncn1C	ZINC001131136289	940513370	/nfs/dbraw/zinc/51/33/70/940513370.db2.gz	FXXGYUWJVCBOQY-QZTJIDSGSA-N	1	0	365.481	1.707	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC23CCOCC3)C[C@H]1c1cncn1C	ZINC001131136472	940513420	/nfs/dbraw/zinc/51/34/20/940513420.db2.gz	OVOUZJHGOYMGBP-IXDOHACOSA-N	1	0	358.486	1.697	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2nccnc2N)C1	ZINC001086661683	940535605	/nfs/dbraw/zinc/53/56/05/940535605.db2.gz	CRYIMGLJIRHWAI-WDEREUQCSA-N	1	0	354.252	1.456	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1)C1CCCC1	ZINC000808336843	940542730	/nfs/dbraw/zinc/54/27/30/940542730.db2.gz	BAOQORKHHFQFHQ-UHFFFAOYSA-N	1	0	372.469	1.043	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ccncc2)C1	ZINC001131298047	940545059	/nfs/dbraw/zinc/54/50/59/940545059.db2.gz	RNIUCKJLXDAIHZ-KSZLIROESA-N	1	0	370.453	1.767	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C#CC2CC2)C1	ZINC001131306941	940548766	/nfs/dbraw/zinc/54/87/66/940548766.db2.gz	COOKMCGIDIIVCC-KSZLIROESA-N	1	0	357.454	1.472	20	30		FDEDRO
CC/C=C\CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C#CC2CC2)C1	ZINC001131306922	940548777	/nfs/dbraw/zinc/54/87/77/940548777.db2.gz	CEYJRPPVCPEGGC-XCCUNJHGSA-N	1	0	371.481	1.862	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCC4CC4)C[C@H]32)C1	ZINC001131307507	940549180	/nfs/dbraw/zinc/54/91/80/940549180.db2.gz	VRYCCDNWISZDSI-BBWFWOEESA-N	1	0	363.458	1.095	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCCC)C[C@H]32)C1	ZINC001131322903	940551848	/nfs/dbraw/zinc/55/18/48/940551848.db2.gz	HBCNXXBXAUEBHJ-BBWFWOEESA-N	1	0	365.474	1.485	20	30		FDEDRO
C=CCCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@]23CCC[C@H]2OCC3)CC1	ZINC001131369703	940557873	/nfs/dbraw/zinc/55/78/73/940557873.db2.gz	UMJKSDAGCBDDBP-XLIONFOSSA-N	1	0	363.502	1.562	20	30		FDEDRO
C=CCCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2OCC[C@H]2C(C)C)CC1	ZINC001131361740	940558687	/nfs/dbraw/zinc/55/86/87/940558687.db2.gz	BFSOEGIXQDHEPA-HKUYNNGSSA-N	1	0	365.518	1.664	20	30		FDEDRO
Cn1c(Cl)cnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1	ZINC001086668075	940565253	/nfs/dbraw/zinc/56/52/53/940565253.db2.gz	FYTRSOMFSKRPQG-WCQYABFASA-N	1	0	360.849	1.962	20	30		FDEDRO
COCCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CSCC#N)CC1	ZINC001131429497	940567299	/nfs/dbraw/zinc/56/72/99/940567299.db2.gz	JFSLERHRRCSYJJ-AEFFLSMTSA-N	1	0	369.531	1.655	20	30		FDEDRO
N#CCSCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C/C=C/Cl)CC1	ZINC001131429674	940567430	/nfs/dbraw/zinc/56/74/30/940567430.db2.gz	QRRNKWKNJHOHFW-ZPGLUJJJSA-N	1	0	357.907	1.981	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)NC(C)=O)CC1	ZINC001131416902	940567729	/nfs/dbraw/zinc/56/77/29/940567729.db2.gz	QJAVUCKNBVHBMY-OLMNPRSZSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCN2CCCC2=O)CC1	ZINC001131448798	940602815	/nfs/dbraw/zinc/60/28/15/940602815.db2.gz	RAUDHEIFCLPINF-XLIONFOSSA-N	1	0	363.502	1.561	20	30		FDEDRO
COCCCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)C#N)CC1	ZINC001131451467	940605274	/nfs/dbraw/zinc/60/52/74/940605274.db2.gz	MKRJZJSARFBLLL-JQHSSLGASA-N	1	0	351.491	1.948	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCNC(=O)C2)CC1	ZINC001131467887	940624407	/nfs/dbraw/zinc/62/44/07/940624407.db2.gz	VRTAGGXVMSAIAI-LMMKCTJWSA-N	1	0	363.502	1.465	20	30		FDEDRO
C#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cnn(C)c2)CC1	ZINC001131483116	940638298	/nfs/dbraw/zinc/63/82/98/940638298.db2.gz	OJSVNUNPDMFKGR-QUCCMNQESA-N	1	0	358.486	1.709	20	30		FDEDRO
C#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N2CCC2)CC1	ZINC001131482890	940638339	/nfs/dbraw/zinc/63/83/39/940638339.db2.gz	DDOVPSRMJOLRBR-XLIONFOSSA-N	1	0	361.486	1.008	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](OC)C2CC2)CC1	ZINC001131483157	940638881	/nfs/dbraw/zinc/63/88/81/940638881.db2.gz	QKUKMGFZVAWESG-QYZOEREBSA-N	1	0	366.502	1.600	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2coc(C)n2)CC1	ZINC001131483217	940638964	/nfs/dbraw/zinc/63/89/64/940638964.db2.gz	UGYVIAGIACIIBG-AEFFLSMTSA-N	1	0	363.458	1.785	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCc3n[nH]cc32)CC1	ZINC001131496037	940647176	/nfs/dbraw/zinc/64/71/76/940647176.db2.gz	LTCXTVDNGZPXHB-AHRSYUTCSA-N	1	0	370.497	1.839	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=C)Cl)CC1	ZINC001131498961	940649720	/nfs/dbraw/zinc/64/97/20/940649720.db2.gz	WEEDKIULFTZDTN-UAGQMJEPSA-N	1	0	354.878	1.763	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(F)CCOCC2)CC1	ZINC001131510649	940659920	/nfs/dbraw/zinc/65/99/20/940659920.db2.gz	UWSQWEBDRUEAPZ-SJORKVTESA-N	1	0	352.450	1.514	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(=O)NC)CC1	ZINC001131506642	940668766	/nfs/dbraw/zinc/66/87/66/940668766.db2.gz	IRNIIPQXVDVFAB-LESCRADOSA-N	1	0	365.518	1.709	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2cnccc2C)CC1	ZINC001131515385	940679831	/nfs/dbraw/zinc/67/98/31/940679831.db2.gz	HMORMTMZPQDSEQ-CTNGQTDRSA-N	1	0	355.482	1.942	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCn2ccnn2)CC1	ZINC001131515705	940681234	/nfs/dbraw/zinc/68/12/34/940681234.db2.gz	ZGXHIOJKEIURNC-MJGOQNOKSA-N	1	0	359.474	1.067	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1	ZINC000822967249	945340256	/nfs/dbraw/zinc/34/02/56/945340256.db2.gz	WLTXNOHWEUWCAB-HNNXBMFYSA-N	1	0	357.454	1.403	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2cnccc2OC)CC1	ZINC001131519302	940688457	/nfs/dbraw/zinc/68/84/57/940688457.db2.gz	JTDNTXOKIFKLNQ-NQIIRXRSSA-N	1	0	371.481	1.642	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2ccccc2)CC1	ZINC001131519587	940688726	/nfs/dbraw/zinc/68/87/26/940688726.db2.gz	SQPSNJWLVHOZKF-IRLDBZIGSA-N	1	0	370.493	1.865	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2n[nH]c3c2CCCC3)CC1	ZINC001131526232	940710655	/nfs/dbraw/zinc/71/06/55/940710655.db2.gz	GNPPTWAXMXJDDI-QUCCMNQESA-N	1	0	370.497	1.911	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccnc2C)CC1	ZINC001131552398	940728769	/nfs/dbraw/zinc/72/87/69/940728769.db2.gz	NJKGFIHTWXZYKX-UXHICEINSA-N	1	0	371.481	1.639	20	30		FDEDRO
C=CCCC1(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+][C@@H](C)C(N)=O)CC2)CC1	ZINC001131558204	940732884	/nfs/dbraw/zinc/73/28/84/940732884.db2.gz	MKPKVZWPNNXEFE-UAGQMJEPSA-N	1	0	363.502	1.592	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)c2cncnc2)CC1	ZINC001131549923	940738762	/nfs/dbraw/zinc/73/87/62/940738762.db2.gz	GSNIYPKVWPULQV-LZQZEXGQSA-N	1	0	356.470	1.589	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NC)CC1	ZINC001131550300	940739099	/nfs/dbraw/zinc/73/90/99/940739099.db2.gz	SEKLHSRYWGMJSK-GMBSWORKSA-N	1	0	351.491	1.320	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC[C@@H](C)O2)CC1	ZINC001131568014	940743795	/nfs/dbraw/zinc/74/37/95/940743795.db2.gz	VQWLYOMLZQTDLU-OWYHZJEWSA-N	1	0	364.486	1.189	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(C)nc(C)n2)CC1	ZINC001131577971	940755087	/nfs/dbraw/zinc/75/50/87/940755087.db2.gz	JNEZHJVMGIETQG-MJGOQNOKSA-N	1	0	356.470	1.716	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCOC)CC2)nc1	ZINC001131597186	940780936	/nfs/dbraw/zinc/78/09/36/940780936.db2.gz	PTNIUNMUWVVFPK-MJGOQNOKSA-N	1	0	357.454	1.309	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](NC(N)=O)C(C)(C)C)CC1	ZINC001131597268	940781353	/nfs/dbraw/zinc/78/13/53/940781353.db2.gz	UEAYQQDQYPTUES-PMPSAXMXSA-N	1	0	366.506	1.241	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)OCCOCC)CC1	ZINC001131606896	940782202	/nfs/dbraw/zinc/78/22/02/940782202.db2.gz	LUJGYYAWUCSNPG-NXHRZFHOSA-N	1	0	352.475	1.047	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](CC(C)C)C(N)=O)CC1	ZINC001131620458	940796390	/nfs/dbraw/zinc/79/63/90/940796390.db2.gz	GKHXETBTCWWEEW-KSZLIROESA-N	1	0	365.518	1.696	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)[C@H]1CCCO1	ZINC000809310359	940814865	/nfs/dbraw/zinc/81/48/65/940814865.db2.gz	RDDJAVXCOPLYFL-CEXWTWQISA-N	1	0	369.465	1.016	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)N1CCC(C[N@@H+](C)CCCC)CC1)[C@H]1CCCO1	ZINC000809313034	940816059	/nfs/dbraw/zinc/81/60/59/940816059.db2.gz	QAEZNAPGJVSDTA-QZTJIDSGSA-N	1	0	363.502	1.254	20	30		FDEDRO
N#CC[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1	ZINC000809575385	940858763	/nfs/dbraw/zinc/85/87/63/940858763.db2.gz	AWALXSDHUJTTSJ-WCQYABFASA-N	1	0	367.247	1.769	20	30		FDEDRO
C#Cc1ccc(CN(CC[NH3+])c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1	ZINC000809728490	940887242	/nfs/dbraw/zinc/88/72/42/940887242.db2.gz	ZVQOGCTVSRVRKJ-UHFFFAOYSA-N	1	0	373.434	1.945	20	30		FDEDRO
N#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCn3cc(Cl)cn3)C2)[nH]1	ZINC001086676260	940933180	/nfs/dbraw/zinc/93/31/80/940933180.db2.gz	LFFAWDMMMKECNU-GXTWGEPZSA-N	1	0	360.849	1.925	20	30		FDEDRO
CSC1(CNS(=O)(=O)c2cccc(F)c2C#N)CC[NH+](C)CC1	ZINC000810083767	940948210	/nfs/dbraw/zinc/94/82/10/940948210.db2.gz	KDAWNYYUBJRPAR-UHFFFAOYSA-N	1	0	357.476	1.803	20	30		FDEDRO
CC(C)(C)n1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)nn1	ZINC001086676751	940949016	/nfs/dbraw/zinc/94/90/16/940949016.db2.gz	SSGSYTORORESJQ-DZGCQCFKSA-N	1	0	369.473	1.921	20	30		FDEDRO
N#CCc1ccccc1CC(=O)O[C@H]1CCCN(c2cc[nH+]c(N)n2)C1	ZINC000810761301	941052788	/nfs/dbraw/zinc/05/27/88/941052788.db2.gz	LKTOSHZBNAPWRZ-INIZCTEOSA-N	1	0	351.410	1.880	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000810848318	941067854	/nfs/dbraw/zinc/06/78/54/941067854.db2.gz	SKICDXZGUYNVHW-HOTGVXAUSA-N	1	0	362.451	1.382	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1	ZINC001132864539	941140193	/nfs/dbraw/zinc/14/01/93/941140193.db2.gz	XFWSJGVMHPPOIF-IJLUTSLNSA-N	1	0	353.875	1.349	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)C[N@@H+](C)CCCC)c1	ZINC000811601539	941144577	/nfs/dbraw/zinc/14/45/77/941144577.db2.gz	VGKRUXIWWOBREG-OAHLLOKOSA-N	1	0	365.499	1.448	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCCC2=O)C1	ZINC001086699189	941170478	/nfs/dbraw/zinc/17/04/78/941170478.db2.gz	YMLMLYLRCJCUOV-MLHJIOFPSA-N	1	0	363.502	1.465	20	30		FDEDRO
C#C[C@H](NC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(F)cc1	ZINC000812893201	941293304	/nfs/dbraw/zinc/29/33/04/941293304.db2.gz	QIDZNRUAEZQLGD-ROUUACIJSA-N	1	0	374.460	1.742	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccc(F)cc1	ZINC000813041936	941314694	/nfs/dbraw/zinc/31/46/94/941314694.db2.gz	QEGXCEPPGSMOOS-INIZCTEOSA-N	1	0	357.389	1.013	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1	ZINC000813472658	941390407	/nfs/dbraw/zinc/39/04/07/941390407.db2.gz	VFXHNTRDCCPIFL-HNNXBMFYSA-N	1	0	350.463	1.690	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1	ZINC000747860750	941421419	/nfs/dbraw/zinc/42/14/19/941421419.db2.gz	QEIFVMHZJJOBQR-UHFFFAOYSA-N	1	0	356.470	1.289	20	30		FDEDRO
C[NH+](C)C[C@@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)c1ccc(F)cc1	ZINC000813618605	941422976	/nfs/dbraw/zinc/42/29/76/941422976.db2.gz	NGDWJIUQFBYSMH-AMGRQBIBSA-N	1	0	374.416	1.461	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O	ZINC001195277677	970809454	/nfs/dbraw/zinc/80/94/54/970809454.db2.gz	JNNAHLLSMBAPMU-QZTJIDSGSA-N	1	0	358.482	1.928	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CCCS(=O)(=O)c1ccccc1	ZINC001134053343	941529722	/nfs/dbraw/zinc/52/97/22/941529722.db2.gz	SVDBXRYMGHGRRC-SJORKVTESA-N	1	0	366.483	1.147	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N[C@H](C)c1ccc(F)cc1	ZINC001134061874	941540323	/nfs/dbraw/zinc/54/03/23/941540323.db2.gz	HMOAIEOVOPIDHM-XYPHTWIQSA-N	1	0	363.433	1.300	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)COCc1ccccc1F	ZINC001134061991	941540808	/nfs/dbraw/zinc/54/08/08/941540808.db2.gz	MOIMELHQGPQEPX-JZXOWHBKSA-N	1	0	366.433	1.000	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)COc1ccccc1Cl	ZINC001134062000	941540964	/nfs/dbraw/zinc/54/09/64/941540964.db2.gz	NKSAIYXSKDVTPG-FMKPAKJESA-N	1	0	368.861	1.377	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnnn2C(C)C)C1	ZINC001086717845	941566754	/nfs/dbraw/zinc/56/67/54/941566754.db2.gz	SYFSGIRRJIHJMS-JKSUJKDBSA-N	1	0	371.489	1.930	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cccnc1	ZINC001134139339	941581753	/nfs/dbraw/zinc/58/17/53/941581753.db2.gz	SYVOCILAQIZYQM-ZWKOTPCHSA-N	1	0	350.422	1.971	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cnc4n3CCC4)C2)C1=O	ZINC001086720795	941619963	/nfs/dbraw/zinc/61/99/63/941619963.db2.gz	OLXYWXILXUVQLJ-XHSDSOJGSA-N	1	0	371.485	1.104	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)CC1	ZINC000814667197	941704587	/nfs/dbraw/zinc/70/45/87/941704587.db2.gz	HLTJWLVNAGWKDW-FQEVSTJZSA-N	1	0	355.482	1.257	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1	ZINC000747984008	941737920	/nfs/dbraw/zinc/73/79/20/941737920.db2.gz	LJOUPQVDPRMSDX-IXDOHACOSA-N	1	0	362.518	1.524	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C	ZINC000815082588	941777120	/nfs/dbraw/zinc/77/71/20/941777120.db2.gz	AJBMCEOJJVPUQQ-UHFFFAOYSA-N	1	0	371.462	1.663	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@H](C)c2ccc(-n3cccn3)c(F)c2)CC1	ZINC000815142713	941791412	/nfs/dbraw/zinc/79/14/12/941791412.db2.gz	XVOHRSSVYJHNOG-MRXNPFEDSA-N	1	0	369.444	1.439	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCC[N@@H+]2CC(=O)NCC#N)C1	ZINC000815204751	941803903	/nfs/dbraw/zinc/80/39/03/941803903.db2.gz	ZLZVJMWWMWQJHO-CABCVRRESA-N	1	0	350.463	1.738	20	30		FDEDRO
C=CCn1cc(C(=O)NCC[NH2+]C[C@H]2[C@H](c3ccccc3)C2(F)F)nn1	ZINC001134973241	941833177	/nfs/dbraw/zinc/83/31/77/941833177.db2.gz	JPRLJLUFKOCEDB-HOCLYGCPSA-N	1	0	361.396	1.832	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)N1CCCCCC1	ZINC001135067563	941883209	/nfs/dbraw/zinc/88/32/09/941883209.db2.gz	AOSUNUPMDSIIJJ-SQNIBIBYSA-N	1	0	365.518	1.855	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1	ZINC000815591467	941913205	/nfs/dbraw/zinc/91/32/05/941913205.db2.gz	IGGWLVPPICJNAS-IBGZPJMESA-N	1	0	356.470	1.997	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCCCCCC1	ZINC001135142378	941927736	/nfs/dbraw/zinc/92/77/36/941927736.db2.gz	RRJGQQAYQAYPRP-WMZOPIPTSA-N	1	0	351.491	1.466	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC1CCC(C)CC1	ZINC001135145706	941929583	/nfs/dbraw/zinc/92/95/83/941929583.db2.gz	QBJHKADSBNAQBR-OBQMCRIKSA-N	1	0	351.491	1.368	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N[C@H](C)CCC(C)C	ZINC001135147487	941942198	/nfs/dbraw/zinc/94/21/98/941942198.db2.gz	JEENTCANGCRDKK-RYRKJORJSA-N	1	0	353.507	1.614	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1	ZINC000815733920	941956726	/nfs/dbraw/zinc/95/67/26/941956726.db2.gz	JKHMMNAODLEICE-INIZCTEOSA-N	1	0	369.465	1.970	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(F)c(OC(C)C)c(F)c1	ZINC000815861448	941996864	/nfs/dbraw/zinc/99/68/64/941996864.db2.gz	JGDPYSYLPHWZGF-UHFFFAOYSA-N	1	0	367.396	1.762	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(NC(=O)CC)ccc1C	ZINC000815861637	941996933	/nfs/dbraw/zinc/99/69/33/941996933.db2.gz	RHLVQRAYJPMVSQ-UHFFFAOYSA-N	1	0	358.442	1.353	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccc2c(c1)NC(=O)CNC2=O	ZINC000815986319	942033695	/nfs/dbraw/zinc/03/36/95/942033695.db2.gz	QWUWMAIRGSYGEM-CYBMUJFWSA-N	1	0	357.410	1.259	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)O[C@H]2CCCN(c3cc[nH+]c(N)n3)C2)c1	ZINC000816055598	942050236	/nfs/dbraw/zinc/05/02/36/942050236.db2.gz	MKASMTCLJNKYFS-INIZCTEOSA-N	1	0	366.425	1.822	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cncn2C)C1	ZINC001086747863	942239646	/nfs/dbraw/zinc/23/96/46/942239646.db2.gz	WCTFUGFIKOIAFL-DOTOQJQBSA-N	1	0	367.453	1.989	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=O)N(C)C1CC1	ZINC001170841669	942311213	/nfs/dbraw/zinc/31/12/13/942311213.db2.gz	KKPZHLMKSLNEED-NXHRZFHOSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)ccc1F	ZINC000816949837	942397621	/nfs/dbraw/zinc/39/76/21/942397621.db2.gz	GGPLKJAERHTIEU-UKRRQHHQSA-N	1	0	367.446	1.066	20	30		FDEDRO
Cc1nn[nH]c1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1	ZINC001086772759	942457609	/nfs/dbraw/zinc/45/76/09/942457609.db2.gz	BZBXCOHVRYCWAU-DZGCQCFKSA-N	1	0	356.405	1.812	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCN(C)C2=O)C1	ZINC001086781104	942482687	/nfs/dbraw/zinc/48/26/87/942482687.db2.gz	BKCJQEAZESPNJK-YNEHKIRRSA-N	1	0	358.280	1.248	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCN1CCNC1=O	ZINC001170853701	942518180	/nfs/dbraw/zinc/51/81/80/942518180.db2.gz	UGDUHMSUWCDRHZ-ZACQAIPSSA-N	1	0	366.506	1.257	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccn(C)c3C)C2)C1=O	ZINC001086797196	942542886	/nfs/dbraw/zinc/54/28/86/942542886.db2.gz	ZMXCPTPZSVYPBE-LZLYRXPVSA-N	1	0	358.486	1.609	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc4n(n3)CCC4)C2)c1	ZINC001086798698	942622145	/nfs/dbraw/zinc/62/21/45/942622145.db2.gz	BHXNVUVALUMLGH-FUHWJXTLSA-N	1	0	363.465	1.894	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@H]3CCc4ncnn43)C2)c1	ZINC001086799125	942629377	/nfs/dbraw/zinc/62/93/77/942629377.db2.gz	YZQXTVNIOKNFKK-CGTJXYLNSA-N	1	0	364.453	1.330	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCn3nc(C)nc3C)C2)c1	ZINC001086798657	942636099	/nfs/dbraw/zinc/63/60/99/942636099.db2.gz	ZLMQOQJWZAABRV-PKOBYXMFSA-N	1	0	366.469	1.460	20	30		FDEDRO
CN(C[C@@H]1CCC[N@@H+]1C)CN1CC(=O)N(Cc2ccccc2C#N)C1=O	ZINC000817371693	942725234	/nfs/dbraw/zinc/72/52/34/942725234.db2.gz	CCPXDYCQKHNTGC-KRWDZBQOSA-N	1	0	355.442	1.306	20	30		FDEDRO
CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ncc(C#N)c2oc(C(C)(C)C)nc21	ZINC001170868397	942779676	/nfs/dbraw/zinc/77/96/76/942779676.db2.gz	SOKOIUNWGUXQMI-VXGBXAGGSA-N	1	0	357.414	1.955	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C(N)=O)[nH]3)C2)c1	ZINC001086804643	942783622	/nfs/dbraw/zinc/78/36/22/942783622.db2.gz	XLSLTAHNFLGYPC-JKSUJKDBSA-N	1	0	365.437	1.674	20	30		FDEDRO
C=CCNC(=O)c1ccccc1NC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1	ZINC000817907798	943072900	/nfs/dbraw/zinc/07/29/00/943072900.db2.gz	WRQOGARBOYVJSM-HNNXBMFYSA-N	1	0	353.426	1.976	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]([NH3+])C2CCC2)c1	ZINC000817922654	943079328	/nfs/dbraw/zinc/07/93/28/943079328.db2.gz	ITDHUWDQQDNYAC-WLVMFVESSA-N	1	0	364.471	1.565	20	30		FDEDRO
C=CCCN(OCc1ccccc1)C(=O)C(=O)N1CC[NH2+][C@@H](C(C)C)C1	ZINC000817985036	943118659	/nfs/dbraw/zinc/11/86/59/943118659.db2.gz	FRQMDSIPKMSCPU-GOSISDBHSA-N	1	0	359.470	1.979	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@]2(C)CCC[NH2+]2)cc1	ZINC000818490955	943256256	/nfs/dbraw/zinc/25/62/56/943256256.db2.gz	OLKSJKDVPPFCAJ-SWEXZPIWSA-N	1	0	364.471	1.580	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1nnn(Cc2ccc(F)cc2F)c1C	ZINC000818588757	943297779	/nfs/dbraw/zinc/29/77/79/943297779.db2.gz	FXJJJWJWTKJWGU-UHFFFAOYSA-N	1	0	361.396	1.598	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@@H](NC(=O)NCc1ccccc1)C(C)C	ZINC000818611809	943302022	/nfs/dbraw/zinc/30/20/22/943302022.db2.gz	DMZWFNXQOFPCFD-SFHVURJKSA-N	1	0	358.486	1.582	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CN1C(=S)N=NC1c1ccc(C)cc1	ZINC000818611863	943302210	/nfs/dbraw/zinc/30/22/10/943302210.db2.gz	GHAQOSGODAPFJD-UHFFFAOYSA-N	1	0	357.483	1.614	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1	ZINC000818593050	943323666	/nfs/dbraw/zinc/32/36/66/943323666.db2.gz	JGRYFDGULNSQNS-SJLPKXTDSA-N	1	0	373.501	1.180	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O	ZINC000818595963	943326544	/nfs/dbraw/zinc/32/65/44/943326544.db2.gz	WSEDQAPMYIEANH-CQSZACIVSA-N	1	0	363.483	1.082	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N(C)C2(C[NH3+])CCC2)ccc1F	ZINC000818597058	943326606	/nfs/dbraw/zinc/32/66/06/943326606.db2.gz	QOBIRXUFLAFCSK-UHFFFAOYSA-N	1	0	355.435	1.243	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@H](O)Cn1c(=O)onc1-c1ccccc1	ZINC000818979654	943368585	/nfs/dbraw/zinc/36/85/85/943368585.db2.gz	TXHLPYHRTYFFDZ-LBPRGKRZSA-N	1	0	354.204	1.362	20	30		FDEDRO
COC(=O)N1CCC[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000819004376	943381271	/nfs/dbraw/zinc/38/12/71/943381271.db2.gz	YXVFQFDTPXHBOH-AWEZNQCLSA-N	1	0	351.428	1.152	20	30		FDEDRO
C=C(C)CN1CCC([NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CC1	ZINC000819024749	943406848	/nfs/dbraw/zinc/40/68/48/943406848.db2.gz	UOCNKMKKHRVCGO-GOSISDBHSA-N	1	0	352.500	1.754	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCC[C@](O)(C[NH2+]C2CCN(CC#N)CC2)CC1	ZINC000819035828	943409536	/nfs/dbraw/zinc/40/95/36/943409536.db2.gz	XKGSVPDUQCSWLK-LJQANCHMSA-N	1	0	366.506	1.716	20	30		FDEDRO
C#CCOc1ccccc1C[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1	ZINC000819072654	943429759	/nfs/dbraw/zinc/42/97/59/943429759.db2.gz	MIWDGMLYJPYWEF-GOSISDBHSA-N	1	0	359.447	1.925	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000819164669	943456424	/nfs/dbraw/zinc/45/64/24/943456424.db2.gz	XMLAHRKGYVVMRB-HIFRSBDPSA-N	1	0	350.463	1.926	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)cc1C#N	ZINC000819182927	943465895	/nfs/dbraw/zinc/46/58/95/943465895.db2.gz	SFRFFJLOUKTERZ-OAHLLOKOSA-N	1	0	365.389	1.314	20	30		FDEDRO
C#CC[C@H](Cc1ccccc1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000819304869	943510623	/nfs/dbraw/zinc/51/06/23/943510623.db2.gz	JYOJUSYZPXMQBR-GOSISDBHSA-N	1	0	353.447	1.951	20	30		FDEDRO
C[C@H](NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H]1CN(C)CCO1	ZINC000819405601	943554350	/nfs/dbraw/zinc/55/43/50/943554350.db2.gz	VQJVDSFIIMQQFX-SOUVJXGZSA-N	1	0	368.478	1.409	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)CNc1ccc(N2CCC([NH+](C)C)CC2)cc1	ZINC000819466525	943603516	/nfs/dbraw/zinc/60/35/16/943603516.db2.gz	XHEZXIMCDIENFC-FQEVSTJZSA-N	1	0	359.518	1.835	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C[C@@H]2C1	ZINC000819538741	943609326	/nfs/dbraw/zinc/60/93/26/943609326.db2.gz	UPABZRQRWRZKPH-OWCLPIDISA-N	1	0	364.490	1.984	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cn3nc(C)cc3[nH]c2=O)C1	ZINC001086829397	943640961	/nfs/dbraw/zinc/64/09/61/943640961.db2.gz	XCKHPAHRYJSMPV-QWHCGFSZSA-N	1	0	363.849	1.572	20	30		FDEDRO
OCC[NH+]1CCC(N=Nc2nc(Br)cn3ccnc23)CC1	ZINC000819808684	943748710	/nfs/dbraw/zinc/74/87/10/943748710.db2.gz	QTMOMCRCJOELOD-UHFFFAOYSA-N	1	0	353.224	1.348	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](C[NH+](C)C)C2)s1	ZINC000819986999	943850502	/nfs/dbraw/zinc/85/05/02/943850502.db2.gz	LODPKUFLXNZURU-ZDUSSCGKSA-N	1	0	371.528	1.165	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccncc2NC(=O)C(F)(F)F)CC1	ZINC000820197609	943946046	/nfs/dbraw/zinc/94/60/46/943946046.db2.gz	PBDMJBJUOXUSSE-UHFFFAOYSA-N	1	0	368.359	1.800	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)s1	ZINC000820265820	943985699	/nfs/dbraw/zinc/98/56/99/943985699.db2.gz	OXAAYYRQCQCLRJ-CHWSQXEVSA-N	1	0	371.528	1.354	20	30		FDEDRO
CON=C(C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)c1csc(N)n1	ZINC000820490453	944069691	/nfs/dbraw/zinc/06/96/91/944069691.db2.gz	KIFMANPBUJXRCB-GFCCVEGCSA-N	1	0	351.476	1.266	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)c1ccc(F)cc1	ZINC000820490864	944070233	/nfs/dbraw/zinc/07/02/33/944070233.db2.gz	RGHOGYNEBPYKGT-QZTJIDSGSA-N	1	0	372.444	1.448	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)ccc1F	ZINC000820503938	944090165	/nfs/dbraw/zinc/09/01/65/944090165.db2.gz	OTNAXZSYQIEHIY-IUODEOHRSA-N	1	0	369.462	1.455	20	30		FDEDRO
C#C[C@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)c1ccc(Br)cc1	ZINC000820615300	944120156	/nfs/dbraw/zinc/12/01/56/944120156.db2.gz	BFUJWWNJTMHIJZ-GOEBONIOSA-N	1	0	368.275	1.735	20	30		FDEDRO
C#C[C@H](CCC)NC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	ZINC000820633915	944131394	/nfs/dbraw/zinc/13/13/94/944131394.db2.gz	AEJBGFUANHRWQB-GOSISDBHSA-N	1	0	362.518	1.812	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1)c1ccccc1	ZINC000820604417	944141227	/nfs/dbraw/zinc/14/12/27/944141227.db2.gz	BTNJTSZOIRCSQB-GOSISDBHSA-N	1	0	356.470	1.557	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1	ZINC001195595010	971065412	/nfs/dbraw/zinc/06/54/12/971065412.db2.gz	YXMDDLKSVGTCLH-AAVRWANBSA-N	1	0	370.902	1.869	20	30		FDEDRO
CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)nn1	ZINC001086840741	944295599	/nfs/dbraw/zinc/29/55/99/944295599.db2.gz	UCAYJARMUVIGRL-XJKSGUPXSA-N	1	0	370.432	1.997	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)CC1	ZINC000856333556	971077481	/nfs/dbraw/zinc/07/74/81/971077481.db2.gz	ZFZPGAIICSRAAC-HZPDHXFCSA-N	1	0	367.465	1.795	20	30		FDEDRO
C=CC1(CC(=O)NCC[NH+]2CCC(O)CC2)CN(C(=O)OC(C)(C)C)C1	ZINC000821864200	944740596	/nfs/dbraw/zinc/74/05/96/944740596.db2.gz	VTCALWTVVYDRNS-UHFFFAOYSA-N	1	0	367.490	1.373	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CC[NH+](C)CC1)N(C(=O)OC(C)(C)C)C1CC1	ZINC000823157385	945494656	/nfs/dbraw/zinc/49/46/56/945494656.db2.gz	RUHUOVHGNPYUTH-CYBMUJFWSA-N	1	0	350.463	1.879	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCc2ccccc2)C[C@H]1O	ZINC001195724566	971153692	/nfs/dbraw/zinc/15/36/92/971153692.db2.gz	BGFOYQOTHGSVQB-GUDVDZBRSA-N	1	0	362.470	1.082	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1c(CNC(=O)OC(C)(C)C)cnn1C	ZINC000823187851	945534056	/nfs/dbraw/zinc/53/40/56/945534056.db2.gz	KPTXLPXVDCDMAC-UHFFFAOYSA-N	1	0	363.462	1.130	20	30		FDEDRO
C#C[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1CCOCC1	ZINC000823169192	945549681	/nfs/dbraw/zinc/54/96/81/945549681.db2.gz	WULMWSLGFMLGEF-RTBURBONSA-N	1	0	362.518	1.225	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H](C)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)n1	ZINC001090723519	945985364	/nfs/dbraw/zinc/98/53/64/945985364.db2.gz	QSOOVGFTQUUMCD-NVXWUHKLSA-N	1	0	370.501	1.728	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)s1	ZINC000823753818	945988302	/nfs/dbraw/zinc/98/83/02/945988302.db2.gz	YBBAYFDUXFXYTC-ZDUSSCGKSA-N	1	0	371.528	1.308	20	30		FDEDRO
CN1C(=O)CS/C1=C/C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000824254058	946312538	/nfs/dbraw/zinc/31/25/38/946312538.db2.gz	VFYCRJHANRYSSF-VXLYETTFSA-N	1	0	370.478	1.685	20	30		FDEDRO
C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000824298289	946324830	/nfs/dbraw/zinc/32/48/30/946324830.db2.gz	SPOQOJIRWBMXHS-ARFHVFGLSA-N	1	0	367.490	1.513	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)/C=C\c1ccc(C(N)=O)o1	ZINC000824367456	946376173	/nfs/dbraw/zinc/37/61/73/946376173.db2.gz	JZJXUKBJJCBYMK-CLFYSBASSA-N	1	0	366.421	1.854	20	30		FDEDRO
C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573281867	946682240	/nfs/dbraw/zinc/68/22/40/946682240.db2.gz	BSZGTLFIXQMURN-AWEZNQCLSA-N	1	0	355.446	1.439	20	30		FDEDRO
C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1	ZINC001573282342	946690337	/nfs/dbraw/zinc/69/03/37/946690337.db2.gz	IQPSMBWJTNLPBC-HDJSIYSDSA-N	1	0	355.446	1.344	20	30		FDEDRO
C#CCCCCC(=O)NC[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21	ZINC001573283774	946725474	/nfs/dbraw/zinc/72/54/74/946725474.db2.gz	XRJXDKDTEMMZRW-MKZZRHPPSA-N	1	0	365.441	1.254	20	30		FDEDRO
C#CCCCCC(=O)N1CCC[C@@H]1CN(C)c1cc[nH+]cc1-c1nn[nH]n1	ZINC001573283749	946725694	/nfs/dbraw/zinc/72/56/94/946725694.db2.gz	MRRNMCXFRHCZJH-OAHLLOKOSA-N	1	0	367.457	1.883	20	30		FDEDRO
C#CCCCCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573284349	946745785	/nfs/dbraw/zinc/74/57/85/946745785.db2.gz	ZTGCRFMLGBQGTL-MRXNPFEDSA-N	1	0	352.442	1.751	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@H](CC[NH2+]Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573284825	946757004	/nfs/dbraw/zinc/75/70/04/946757004.db2.gz	MOTAALOPDURSJT-INIZCTEOSA-N	1	0	366.469	1.998	20	30		FDEDRO
N#Cc1cnn(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)c1N	ZINC000824818951	946792212	/nfs/dbraw/zinc/79/22/12/946792212.db2.gz	ZFDNZBLOLPHHRL-APWZRJJASA-N	1	0	351.410	1.516	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1	ZINC000824956155	946897965	/nfs/dbraw/zinc/89/79/65/946897965.db2.gz	KJCAXGCNVCQAQR-BFWZDYSYSA-N	1	0	363.502	1.607	20	30		FDEDRO
C[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1	ZINC001090811629	946941444	/nfs/dbraw/zinc/94/14/44/946941444.db2.gz	RDBBAYGKEJMGCI-IUODEOHRSA-N	1	0	361.877	1.889	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C(C)(C)C1	ZINC001573561380	946961467	/nfs/dbraw/zinc/96/14/67/946961467.db2.gz	JYQAPVZNCROAIT-WFASDCNBSA-N	1	0	353.430	1.353	20	30		FDEDRO
CC(C)[C@@H](CCN(C)C(=O)[C@@H](C)C#N)[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001573561278	946961682	/nfs/dbraw/zinc/96/16/82/946961682.db2.gz	JIYPXTOXYWSAJK-WMLDXEAASA-N	1	0	369.473	1.989	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](CCCO[C@@H]2CCOC2)CC1	ZINC001195885803	971306669	/nfs/dbraw/zinc/30/66/69/971306669.db2.gz	FQFUHLGUBJEVTE-QRVBRYPASA-N	1	0	366.502	1.698	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC([N@H+](C)Cc2cc(-c3nn[nH]n3)ccc2F)CC1	ZINC001573565113	947002204	/nfs/dbraw/zinc/00/22/04/947002204.db2.gz	NJDFJKXAZKCSJW-GFCCVEGCSA-N	1	0	371.420	1.588	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573565751	947014574	/nfs/dbraw/zinc/01/45/74/947014574.db2.gz	VJYLYSDUQFAJBR-AAEUAGOBSA-N	1	0	357.393	1.198	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C12CCC2	ZINC001573295302	947014540	/nfs/dbraw/zinc/01/45/40/947014540.db2.gz	OBXJDPOXMZHDOV-OLZOCXBDSA-N	1	0	361.837	1.578	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C(C)(C)C	ZINC001573296863	947053502	/nfs/dbraw/zinc/05/35/02/947053502.db2.gz	ABFGIULGUDOXNC-LBPRGKRZSA-N	1	0	351.842	1.681	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CCCC1	ZINC001573298198	947070907	/nfs/dbraw/zinc/07/09/07/947070907.db2.gz	NUROXNVOIOUONQ-CQSZACIVSA-N	1	0	363.853	1.826	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[C@@H]1C	ZINC001573298560	947076087	/nfs/dbraw/zinc/07/60/87/947076087.db2.gz	PRDFBVJVYLZCJL-GWCFXTLKSA-N	1	0	363.853	1.635	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573570094	947084716	/nfs/dbraw/zinc/08/47/16/947084716.db2.gz	KOTTVDBRXCYCHM-FIXISWKDSA-N	1	0	357.393	1.102	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573299101	947089248	/nfs/dbraw/zinc/08/92/48/947089248.db2.gz	DAHFNSPUXMVTOS-AWEZNQCLSA-N	1	0	358.421	1.909	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C)[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1	ZINC001573299691	947099867	/nfs/dbraw/zinc/09/98/67/947099867.db2.gz	KVQHOUNRLNBFOW-MLGOLLRUSA-N	1	0	355.446	1.607	20	30		FDEDRO
C[C@H](C#N)C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573571889	947103514	/nfs/dbraw/zinc/10/35/14/947103514.db2.gz	BIAQHYTWPFVYOQ-QFWMXSHPSA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CC1	ZINC001573571968	947106712	/nfs/dbraw/zinc/10/67/12/947106712.db2.gz	BZSODUDNUVMIHT-NEPJUHHUSA-N	1	0	359.459	1.559	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)OCC	ZINC001573300513	947112877	/nfs/dbraw/zinc/11/28/77/947112877.db2.gz	QTORUIQWYXTXCW-XEZPLFJOSA-N	1	0	371.445	1.114	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC1(C)CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1	ZINC001573572780	947117513	/nfs/dbraw/zinc/11/75/13/947117513.db2.gz	KBTXKQOTZMDVNQ-LBPRGKRZSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CC1	ZINC001573573094	947118810	/nfs/dbraw/zinc/11/88/10/947118810.db2.gz	MOSUZZZGMGFSTF-BONVTDFDSA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H]1CCC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1	ZINC001573574442	947130659	/nfs/dbraw/zinc/13/06/59/947130659.db2.gz	RSYGTPVLXJVSNR-WFASDCNBSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H]1CCC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1	ZINC001573574437	947131088	/nfs/dbraw/zinc/13/10/88/947131088.db2.gz	RSYGTPVLXJVSNR-DOMZBBRYSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C(C)(C)C	ZINC001573574776	947135647	/nfs/dbraw/zinc/13/56/47/947135647.db2.gz	UUJVZYSRIBHXHL-ABAIWWIYSA-N	1	0	373.436	1.786	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(C)(C)C	ZINC001573575267	947136288	/nfs/dbraw/zinc/13/62/88/947136288.db2.gz	WNPIABXJJRYPMA-MFKMUULPSA-N	1	0	361.475	1.708	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(C)(C)C	ZINC001573575268	947137313	/nfs/dbraw/zinc/13/73/13/947137313.db2.gz	WNPIABXJJRYPMA-ZWNOBZJWSA-N	1	0	361.475	1.708	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)[C@H](C)C#N)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1	ZINC001573577535	947169798	/nfs/dbraw/zinc/16/97/98/947169798.db2.gz	QYNVCLUOJRHZSP-IAQYHMDHSA-N	1	0	359.409	1.396	20	30		FDEDRO
C[NH+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H](Nc2ccnc(C#N)n2)C1	ZINC001090854327	947175204	/nfs/dbraw/zinc/17/52/04/947175204.db2.gz	XTPOVBRXLKKIHZ-DLBZAZTESA-N	1	0	364.453	1.128	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1(C)C	ZINC001573577966	947179204	/nfs/dbraw/zinc/17/92/04/947179204.db2.gz	WKQKQGLKQBYAKI-SWLSCSKDSA-N	1	0	353.430	1.353	20	30		FDEDRO
C[C@H](C#N)C(=O)NCCC1(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1	ZINC001573583085	947199155	/nfs/dbraw/zinc/19/91/55/947199155.db2.gz	IULUCMDZQDTMPA-LLVKDONJSA-N	1	0	359.459	1.464	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573584218	947217084	/nfs/dbraw/zinc/21/70/84/947217084.db2.gz	RLBVVFJCBYVADG-NWDGAFQWSA-N	1	0	357.393	1.104	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1C	ZINC001573585763	947269434	/nfs/dbraw/zinc/26/94/34/947269434.db2.gz	VXSLEAABZQPYPY-FIXISWKDSA-N	1	0	357.393	1.102	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573586208	947278910	/nfs/dbraw/zinc/27/89/10/947278910.db2.gz	LYRDREXEMPPSOS-JTNHKYCSSA-N	1	0	357.393	1.150	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1ccnn1CCc1ccccc1	ZINC000856739686	971365549	/nfs/dbraw/zinc/36/55/49/971365549.db2.gz	FCUMDGXWGYCTKC-UHFFFAOYSA-N	1	0	360.483	1.359	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C12CCC2	ZINC001573327331	947386832	/nfs/dbraw/zinc/38/68/32/947386832.db2.gz	CFMCAIJTSQFVLT-HUUCEWRRSA-N	1	0	353.430	1.489	20	30		FDEDRO
C=CCCC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(OC)c(-c2nn[nH]n2)c1	ZINC001573328157	947401592	/nfs/dbraw/zinc/40/15/92/947401592.db2.gz	RMFHGVUZOQXVEB-CYBMUJFWSA-N	1	0	358.446	1.778	20	30		FDEDRO
N#CCCN(Cc1cccnc1)C(=O)[C@H]1[C@H](O)CCN1Cc1ccccc1	ZINC001143661253	947407845	/nfs/dbraw/zinc/40/78/45/947407845.db2.gz	AATBBYWDYIVGBZ-WOJBJXKFSA-N	1	0	364.449	1.959	20	30		FDEDRO
C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)C(=O)OCC	ZINC001143676302	947453716	/nfs/dbraw/zinc/45/37/16/947453716.db2.gz	MZUDTXMSFLEGMQ-NHAYFPRASA-N	1	0	358.438	1.246	20	30		FDEDRO
C=CCCCC(=O)NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C	ZINC001573335453	947477816	/nfs/dbraw/zinc/47/78/16/947477816.db2.gz	OGIAFWCJMIKRIM-ZIAGYGMSSA-N	1	0	355.446	1.807	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1c1ccc(OC)cc1	ZINC001090874360	947525288	/nfs/dbraw/zinc/52/52/88/947525288.db2.gz	BBZGSNDAYPZEET-RBUKOAKNSA-N	1	0	367.449	1.778	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1c1ccc(OC)cc1	ZINC001090878126	947546649	/nfs/dbraw/zinc/54/66/49/947546649.db2.gz	IONUHZBXDVLKFF-FGTMMUONSA-N	1	0	357.454	1.244	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2cncnc2)C[C@H]1c1ccc(OC)cc1	ZINC001090876401	947557535	/nfs/dbraw/zinc/55/75/35/947557535.db2.gz	XLRWABMDRLBSAP-VQTJNVASSA-N	1	0	364.449	1.635	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3ccc(OC)cc3)[C@H]([NH2+]CCO)C2)nc1	ZINC001090884425	947642790	/nfs/dbraw/zinc/64/27/90/947642790.db2.gz	QCIMCQALRMBKQJ-AZUAARDMSA-N	1	0	365.433	1.262	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(CC)cn2)C[C@H]1c1ccc(OC)cc1	ZINC001090884483	947642835	/nfs/dbraw/zinc/64/28/35/947642835.db2.gz	SMWDIQNXWZPAHT-ZWKOTPCHSA-N	1	0	352.438	1.743	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1c1ccc(OC)cc1	ZINC001090884454	947643006	/nfs/dbraw/zinc/64/30/06/947643006.db2.gz	RLKXESRLZSGOHN-RBUKOAKNSA-N	1	0	354.454	1.741	20	30		FDEDRO
CCc1ccccc1[C@H]([NH3+])CNC(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000844198651	947867979	/nfs/dbraw/zinc/86/79/79/947867979.db2.gz	MIXWRFRFSVJNCN-RAJOGRCSSA-N	1	0	356.426	1.282	20	30		FDEDRO
[NH3+]C1(CNC(=O)CCNC(=O)C2N=CC=CC2=O)C2CC3CC(C2)CC1C3	ZINC000844199476	947870421	/nfs/dbraw/zinc/87/04/21/947870421.db2.gz	FZKNMSGTHJIUBB-VHEBQXMUSA-N	1	0	372.469	1.173	20	30		FDEDRO
C#CC(=O)N(Cc1cccnc1)c1ccc2nc(C3CC[NH2+]CC3)nn2c1	ZINC001143906994	947980840	/nfs/dbraw/zinc/98/08/40/947980840.db2.gz	GTQNPNLSMQUCFO-UHFFFAOYSA-N	1	0	360.421	1.758	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@H+]2CCCC[C@@H]2CC(=O)OC(C)(C)C)CC1	ZINC000844423814	948050260	/nfs/dbraw/zinc/05/02/60/948050260.db2.gz	ATNUIJQTRBTWAQ-QGZVFWFLSA-N	1	0	363.502	1.350	20	30		FDEDRO
COCCO[C@H]1CC[N@H+](Cc2cncc(C#N)c2)[C@H]1Cc1cnn(C)c1	ZINC001144079775	948198959	/nfs/dbraw/zinc/19/89/59/948198959.db2.gz	HMOHWZMZRRZCAL-OALUTQOASA-N	1	0	355.442	1.535	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@@H](CO)[C@H]1CCCOC1	ZINC001171143927	948264155	/nfs/dbraw/zinc/26/41/55/948264155.db2.gz	NFRFCICXTOEPEA-YOEHRIQHSA-N	1	0	369.425	1.060	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1Nc1ccnc(C#N)n1	ZINC001091014561	948443696	/nfs/dbraw/zinc/44/36/96/948443696.db2.gz	RXGYMSRCEHVNFA-HZPDHXFCSA-N	1	0	370.501	1.541	20	30		FDEDRO
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCCCC[NH+]1CCOCC1	ZINC000844882823	948464647	/nfs/dbraw/zinc/46/46/47/948464647.db2.gz	SGBHNIHVLRCHEH-SFHVURJKSA-N	1	0	360.458	1.345	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)CC1	ZINC000844926664	948510746	/nfs/dbraw/zinc/51/07/46/948510746.db2.gz	JEYYZWAZRAOSTC-SFHVURJKSA-N	1	0	360.458	1.344	20	30		FDEDRO
C[C@H](COCC(=O)N1C[C@@H](C)[C@H](Nc2ccncc2C#N)C1)[NH+]1CCCC1	ZINC001091024374	948517254	/nfs/dbraw/zinc/51/72/54/948517254.db2.gz	JEYJISXWSHCEQG-GPMSIDNRSA-N	1	0	371.485	1.135	20	30		FDEDRO
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000844953483	948568529	/nfs/dbraw/zinc/56/85/29/948568529.db2.gz	KUEGUVVVCRZGPY-SQNIBIBYSA-N	1	0	358.442	1.096	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)CCCO1	ZINC000845151867	948736211	/nfs/dbraw/zinc/73/62/11/948736211.db2.gz	ISNPIPIJYAYZEH-VQIMIIECSA-N	1	0	374.485	1.734	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3ncn(C)c3n2)C1	ZINC001196151818	971504758	/nfs/dbraw/zinc/50/47/58/971504758.db2.gz	IFEAMNHVGNRNIP-IAGOWNOFSA-N	1	0	359.474	1.714	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NCC1CC([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC001091076433	948999284	/nfs/dbraw/zinc/99/92/84/948999284.db2.gz	ZUNIBARKTLEVGG-QZXDYEHLSA-N	1	0	361.417	1.486	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)CC1	ZINC001144418110	949066050	/nfs/dbraw/zinc/06/60/50/949066050.db2.gz	SLOKLARYDADTTO-UHFFFAOYSA-N	1	0	370.413	1.615	20	30		FDEDRO
C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2cnc(-c3nn[nH]n3)c(C#N)n2)C1	ZINC001575515065	949180106	/nfs/dbraw/zinc/18/01/06/949180106.db2.gz	FQPGSBXYJICFFA-OCCSQVGLSA-N	1	0	361.413	1.776	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@@H](NC(=O)CCC[NH+]3CCCCC3)[C@@H](O)C2)n1	ZINC001091105151	949269987	/nfs/dbraw/zinc/26/99/87/949269987.db2.gz	GMCGJYINBREFJD-MSOLQXFVSA-N	1	0	371.485	1.194	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@@H]1O	ZINC001091126542	949544829	/nfs/dbraw/zinc/54/48/29/949544829.db2.gz	WOBVOQGNOAPGLP-MNOVXSKESA-N	1	0	371.894	1.066	20	30		FDEDRO
C=C[C@@H](C)ONC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1	ZINC000845631754	949715076	/nfs/dbraw/zinc/71/50/76/949715076.db2.gz	SSLPPVNPONZZFJ-MRXNPFEDSA-N	1	0	362.474	1.965	20	30		FDEDRO
C#CCC[C@@H](O)CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000845745173	949878975	/nfs/dbraw/zinc/87/89/75/949878975.db2.gz	PWGXYXYIYZCBNI-LJQANCHMSA-N	1	0	354.454	1.596	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)OC[C@@H]2CC[N@H+](C)[C@@H]2C)cc1	ZINC000845811253	949923418	/nfs/dbraw/zinc/92/34/18/949923418.db2.gz	RSKNLWMDABDLNT-HIFRSBDPSA-N	1	0	352.456	1.648	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C2	ZINC001110718725	971636987	/nfs/dbraw/zinc/63/69/87/971636987.db2.gz	ASKBHJLCBRDQBR-AKHDSKFASA-N	1	0	374.529	1.393	20	30		FDEDRO
C=CC[NH+](CC=C)CCN1CCN(Cc2ccc3c(c2)nnn3C)CC1	ZINC001144641876	950293053	/nfs/dbraw/zinc/29/30/53/950293053.db2.gz	IMBMYZPKKKAEBT-UHFFFAOYSA-N	1	0	354.502	1.760	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C	ZINC000846059520	950368746	/nfs/dbraw/zinc/36/87/46/950368746.db2.gz	FHKJEAADGNAEQD-JYJNAYRXSA-N	1	0	369.506	1.929	20	30		FDEDRO
C[C@H](Cc1cccc(C#N)c1)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O	ZINC001171210045	950475749	/nfs/dbraw/zinc/47/57/49/950475749.db2.gz	PMNKXCPDMJEHQK-CYBMUJFWSA-N	1	0	374.466	1.585	20	30		FDEDRO
C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1ccc(C#N)cc1F	ZINC001574994868	950497858	/nfs/dbraw/zinc/49/78/58/950497858.db2.gz	ATADUODGHOGTAD-SNVBAGLBSA-N	1	0	368.376	1.114	20	30		FDEDRO
CNC(=O)CN1C(=O)CC[C@@]12CCC[N@@H+]([C@H](C)Cc1cccc(C#N)c1)C2	ZINC001171213318	950547015	/nfs/dbraw/zinc/54/70/15/950547015.db2.gz	YQRWNCJHDVZOST-IIBYNOLFSA-N	1	0	368.481	1.692	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCc3ccnn3C)C[C@H]21	ZINC000961990039	1013107325	/nfs/dbraw/zinc/10/73/25/1013107325.db2.gz	DJIGTVFLVFFMOP-QTMHVTGLSA-N	1	0	358.486	1.380	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)ccn1C)C2	ZINC001110480836	971702604	/nfs/dbraw/zinc/70/26/04/971702604.db2.gz	XKSLEURWUOCUPN-KURKYZTESA-N	1	0	370.497	1.869	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)NCc1ccccc1C[NH2+]C)c1ccncc1	ZINC000846334418	950949856	/nfs/dbraw/zinc/94/98/56/950949856.db2.gz	ZOHHODLETXSJAC-GOSISDBHSA-N	1	0	352.438	1.851	20	30		FDEDRO
CC[NH+]1CCN(CC(C)(C)NC(=O)Cc2cccc(OCC#N)c2)CC1	ZINC000857300541	971707011	/nfs/dbraw/zinc/70/70/11/971707011.db2.gz	UVUGDZZQGHGNIW-UHFFFAOYSA-N	1	0	358.486	1.664	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]2CCN(c3nccnc3C#N)[C@H]2C1	ZINC001091224027	951035899	/nfs/dbraw/zinc/03/58/99/951035899.db2.gz	CSFOPGYAAJMWHO-HOCLYGCPSA-N	1	0	356.474	1.506	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C12CCC2	ZINC001571003898	951128856	/nfs/dbraw/zinc/12/88/56/951128856.db2.gz	DNXNYDWMNDSHTH-QWHCGFSZSA-N	1	0	361.837	1.578	20	30		FDEDRO
C=C[C@H](C)ONC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C	ZINC000846546254	951258978	/nfs/dbraw/zinc/25/89/78/951258978.db2.gz	AVNPNCCECVFCCT-AWEZNQCLSA-N	1	0	369.487	1.461	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2ncnn2CCC)C1	ZINC001091278112	951293469	/nfs/dbraw/zinc/29/34/69/951293469.db2.gz	KZDRADPPHRUWLO-OBQMCRIKSA-N	1	0	361.490	1.654	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2cnns2)C1	ZINC001091273840	951318733	/nfs/dbraw/zinc/31/87/33/951318733.db2.gz	AFVDJBYXMFJGCR-BGHVQYPCSA-N	1	0	350.488	1.894	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)N[C@@H]2CCCC[C@H]2Nc2ncccc2C#N)CC1	ZINC001091274254	951320843	/nfs/dbraw/zinc/32/08/43/951320843.db2.gz	IQPVDMZXTSUPNX-QZTJIDSGSA-N	1	0	371.485	1.903	20	30		FDEDRO
CCOC(=O)NCCC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000846611942	951375536	/nfs/dbraw/zinc/37/55/36/951375536.db2.gz	KPVKZCFFNUTCFN-UHFFFAOYSA-N	1	0	358.442	1.775	20	30		FDEDRO
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)NCCC[NH+]1CCCCC1	ZINC000846724989	951491711	/nfs/dbraw/zinc/49/17/11/951491711.db2.gz	WTPJDILNNVMFPW-SFHVURJKSA-N	1	0	372.469	1.042	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)NCCC[N@@H+](CC)C1CCCCC1)[C@@H]1CCCO1	ZINC000846738990	951544923	/nfs/dbraw/zinc/54/49/23/951544923.db2.gz	NXNMDUINIAGQNJ-MSOLQXFVSA-N	1	0	363.502	1.444	20	30		FDEDRO
CNC(=O)c1cc(C#N)cc(C)c1NC(=O)[C@@H]([NH3+])Cc1cccc(OC)c1	ZINC001144941337	951572431	/nfs/dbraw/zinc/57/24/31/951572431.db2.gz	JFXDUEOEZAHDMI-KRWDZBQOSA-N	1	0	366.421	1.743	20	30		FDEDRO
COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC([N@@H+]2CCOC[C@H]2C)CC1	ZINC000846912231	951712678	/nfs/dbraw/zinc/71/26/78/951712678.db2.gz	LQYGYIQOWYZXAS-BEFAXECRSA-N	1	0	357.454	1.957	20	30		FDEDRO
C[C@H](CNC(=O)C#CC(C)(C)C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1	ZINC001575081183	951719486	/nfs/dbraw/zinc/71/94/86/951719486.db2.gz	PGMJRRGTODNNNS-ZDUSSCGKSA-N	1	0	372.448	1.897	20	30		FDEDRO
N#Cc1cccnc1C(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1	ZINC001196555203	971772885	/nfs/dbraw/zinc/77/28/85/971772885.db2.gz	ZCTKTXXGOWMMMY-UHFFFAOYSA-N	1	0	350.426	1.444	20	30		FDEDRO
C#C[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)C1	ZINC000847021871	951774772	/nfs/dbraw/zinc/77/47/72/951774772.db2.gz	CGOOWWOQRRMJLK-SFHVURJKSA-N	1	0	369.513	1.902	20	30		FDEDRO
C#C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C1	ZINC000847033417	951782849	/nfs/dbraw/zinc/78/28/49/951782849.db2.gz	WWVNRQVBWURLDZ-KBPBESRZSA-N	1	0	357.410	1.840	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)CCc4ccco4)C[C@]3(C)C2)C1=O	ZINC001091478734	951861215	/nfs/dbraw/zinc/86/12/15/951861215.db2.gz	OEIXIUIKDUDRJH-MMOPVJDHSA-N	1	0	371.481	1.779	20	30		FDEDRO
C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]Cc1ccc(C#N)cc1	ZINC001575102019	951866706	/nfs/dbraw/zinc/86/67/06/951866706.db2.gz	KMNZKUJTQWHEMH-LBPRGKRZSA-N	1	0	364.413	1.222	20	30		FDEDRO
C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)c1ccc(C#N)[nH]1	ZINC001575103668	951877223	/nfs/dbraw/zinc/87/72/23/951877223.db2.gz	VEOJNSQNMYBZMT-JTQLQIEISA-N	1	0	370.442	1.378	20	30		FDEDRO
C[C@@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001575103719	951877660	/nfs/dbraw/zinc/87/76/60/951877660.db2.gz	VKBUQPYCFZIJKQ-JTQLQIEISA-N	1	0	370.442	1.378	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@H]3COCCO3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001091503724	951892700	/nfs/dbraw/zinc/89/27/00/951892700.db2.gz	MDRCWQVKYUMWEE-HBFSDRIKSA-N	1	0	355.438	1.254	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3COCCO3)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001091503675	951892739	/nfs/dbraw/zinc/89/27/39/951892739.db2.gz	KHPZQCREDNFZGQ-GGPKGHCWSA-N	1	0	355.438	1.254	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H](C)OC)C[C@]3(C)C2)cc1C#N	ZINC001091519834	951926639	/nfs/dbraw/zinc/92/66/39/951926639.db2.gz	XRWPJCHSNDRGTM-NQYLQCIDSA-N	1	0	357.454	1.882	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)C4=COCCC4)C[C@]3(C)C2)C1=O	ZINC001091537210	951965244	/nfs/dbraw/zinc/96/52/44/951965244.db2.gz	NKRBBWBGFHOOFA-UWVAXJGDSA-N	1	0	359.470	1.248	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCCCCCC3)C[C@@]2(C)C1	ZINC001091545851	951985626	/nfs/dbraw/zinc/98/56/26/951985626.db2.gz	VJCABPNKGCEZBE-QKLQHJQFSA-N	1	0	360.502	1.719	20	30		FDEDRO
COc1ccnc(C[N@@H+]2C[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@]3(C)C2)c1	ZINC001091576314	952118104	/nfs/dbraw/zinc/11/81/04/952118104.db2.gz	LSZDZVYFWAUCPZ-QRWLVFNGSA-N	1	0	365.437	1.884	20	30		FDEDRO
CCC[N@H+](C)CC(=O)NC[C@H]1CC[C@@H](Nc2cc(C#N)nc(CC)n2)C1	ZINC001091596498	952204180	/nfs/dbraw/zinc/20/41/80/952204180.db2.gz	DBZIKPNONIYUBP-LSDHHAIUSA-N	1	0	358.490	1.949	20	30		FDEDRO
CCc1nc(C#N)cc(N[C@@H]2CC[C@H](CNC(=O)[C@H](C3CC3)[NH+](C)C)C2)n1	ZINC001091611149	952267463	/nfs/dbraw/zinc/26/74/63/952267463.db2.gz	KFMUMLKRYUZYGW-OHNRDTAOSA-N	1	0	370.501	1.948	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@@]2(C)C1)n1cncn1	ZINC001091610207	952278993	/nfs/dbraw/zinc/27/89/93/952278993.db2.gz	LHBHDUFKOSOLCY-DSKINZAPSA-N	1	0	363.465	1.671	20	30		FDEDRO
N#Cc1cnccc1N[C@@H]1CC[C@H](CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1	ZINC001091620839	952336689	/nfs/dbraw/zinc/33/66/89/952336689.db2.gz	GGWUBKBEIZGBMW-CVAIRZPRSA-N	1	0	367.497	1.946	20	30		FDEDRO
CC(C)(C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(C#N)n2)C1)[NH+]1CCCC1	ZINC001091622939	952345532	/nfs/dbraw/zinc/34/55/32/952345532.db2.gz	ZDADQNCCRMVULG-LSDHHAIUSA-N	1	0	356.474	1.341	20	30		FDEDRO
C[C@]12CN(C(=O)CCn3ccnn3)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001091626676	952362352	/nfs/dbraw/zinc/36/23/52/952362352.db2.gz	LWARRUOSGZGCGS-QUCCMNQESA-N	1	0	364.453	1.520	20	30		FDEDRO
Cc1cc(N[C@@H]2CC[C@H](CNC(=O)C[N@H+]3CC[C@H](C)C3)C2)c(C#N)cn1	ZINC001091636937	952417684	/nfs/dbraw/zinc/41/76/84/952417684.db2.gz	JJMDTYHAIYTQIP-QILLFSRXSA-N	1	0	355.486	1.722	20	30		FDEDRO
CC(C)[C@@H](O)C(=O)N1C[C@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@@]2(C)C1	ZINC001091643464	952464355	/nfs/dbraw/zinc/46/43/55/952464355.db2.gz	ROGCXSPPQGQGRQ-POAQFYNOSA-N	1	0	359.445	1.995	20	30		FDEDRO
Cn1cnc(C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)c(F)c4)C[C@@]3(C)C2)n1	ZINC001091646682	952484018	/nfs/dbraw/zinc/48/40/18/952484018.db2.gz	ZSODBMJRHQAGDO-BEFAXECRSA-N	1	0	368.416	1.420	20	30		FDEDRO
Cn1cnc(C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)cc4F)C[C@@]3(C)C2)n1	ZINC001091647877	952490214	/nfs/dbraw/zinc/49/02/14/952490214.db2.gz	MRCZWZZEGGRKBD-BEFAXECRSA-N	1	0	368.416	1.420	20	30		FDEDRO
Cn1cnc(C(=O)N2C[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@@]3(C)C2)n1	ZINC001091648053	952490810	/nfs/dbraw/zinc/49/08/10/952490810.db2.gz	TZVSEDUVJRGOIB-APWZRJJASA-N	1	0	350.426	1.281	20	30		FDEDRO
C[C@]12CN(C(=O)c3ncc[nH]3)C[C@H]1C[N@H+](Cc1ccc(OCC#N)cc1)C2	ZINC001091654933	952515158	/nfs/dbraw/zinc/51/51/58/952515158.db2.gz	SCHPYDWNGPPEPG-UZLBHIALSA-N	1	0	365.437	1.906	20	30		FDEDRO
Cc1cc2ncc([C@@H](C)[NH2+]CCNC(=O)C3N=CC=CC3=O)c(C)n2n1	ZINC000772984048	952523914	/nfs/dbraw/zinc/52/39/14/952523914.db2.gz	MEOYMIHOMXDXBK-NUMWXTGKSA-N	1	0	354.414	1.523	20	30		FDEDRO
CN(C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1)C1CCCCC1	ZINC001091656350	952531243	/nfs/dbraw/zinc/53/12/43/952531243.db2.gz	YXSBWUMDOBXBHL-GCJKJVERSA-N	1	0	371.525	1.971	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCc3ccnn3C)C[C@@]2(C)C1	ZINC001091682642	952623921	/nfs/dbraw/zinc/62/39/21/952623921.db2.gz	AQBDIDLIMLXXQM-RBAQFSTRSA-N	1	0	372.513	1.724	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cn(C)nc3C)C[C@@]2(C)C1	ZINC001091679925	952625339	/nfs/dbraw/zinc/62/53/39/952625339.db2.gz	QYSUSJNFMMIORK-BNDYYXHWSA-N	1	0	372.513	1.990	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cncn3C)C[C@@]2(C)C1	ZINC001091682886	952630031	/nfs/dbraw/zinc/63/00/31/952630031.db2.gz	OHUGWJDLKRFWTB-LBKNJMOBSA-N	1	0	358.486	1.682	20	30		FDEDRO
C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H](CNc2ccnc(C#N)n2)C1	ZINC001091684852	952635927	/nfs/dbraw/zinc/63/59/27/952635927.db2.gz	SQTGIHBVNMNFJP-SJORKVTESA-N	1	0	370.501	1.685	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)C[C@]2(C)C1	ZINC001091695303	952651235	/nfs/dbraw/zinc/65/12/35/952651235.db2.gz	HSSJFZQCXRTTLT-OPYAIIAOSA-N	1	0	359.514	1.991	20	30		FDEDRO
CCCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1	ZINC001148277949	952683185	/nfs/dbraw/zinc/68/31/85/952683185.db2.gz	ORMDAWDPFVDVQY-JKSUJKDBSA-N	1	0	351.491	1.524	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cn(-c4cccnc4)nn3)C[C@]2(C)C1	ZINC001091721402	952724223	/nfs/dbraw/zinc/72/42/23/952724223.db2.gz	DEUGHTSZONNXJE-BEFAXECRSA-N	1	0	350.426	1.080	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnon2)C1	ZINC001086849421	952756044	/nfs/dbraw/zinc/75/60/44/952756044.db2.gz	HKABUYWVCDHRPE-UONOGXRCSA-N	1	0	357.414	1.718	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccn(CC(C)C)c2=O)C1	ZINC001196677529	971863946	/nfs/dbraw/zinc/86/39/46/971863946.db2.gz	ZWFDJMWBQRGCQC-CGTJXYLNSA-N	1	0	361.486	1.634	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc4c(c3)OCC(=O)N4)C[C@]2(C)C1	ZINC001091739371	952768716	/nfs/dbraw/zinc/76/87/16/952768716.db2.gz	ROOCGGJPLSXESQ-QRWLVFNGSA-N	1	0	353.422	1.435	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3c3ccnn3CC)C[C@]2(C)C1	ZINC001091754478	952816346	/nfs/dbraw/zinc/81/63/46/952816346.db2.gz	RDQLSUOFJIPSQI-ZJSJBZJDSA-N	1	0	370.497	1.784	20	30		FDEDRO
C[N@@H+]1CCCN(CCNS(=O)(=O)c2cc(Cl)ccc2C#N)CC1	ZINC001196702354	971869711	/nfs/dbraw/zinc/86/97/11/971869711.db2.gz	XFEJINMFWMGOPX-UHFFFAOYSA-N	1	0	356.879	1.127	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCn2cccn2)C1	ZINC001086855701	952867311	/nfs/dbraw/zinc/86/73/11/952867311.db2.gz	OCAVDRJKANPDFB-DLBZAZTESA-N	1	0	367.453	1.478	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3CC)C2)cn1	ZINC001086857600	952876111	/nfs/dbraw/zinc/87/61/11/952876111.db2.gz	LNXJETXAVMIFML-WMLDXEAASA-N	1	0	352.442	1.363	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@@H]3CCc4ncnn43)C2)nc1	ZINC001086856985	952903813	/nfs/dbraw/zinc/90/38/13/952903813.db2.gz	FGLMAYMWLLOATA-BBWFWOEESA-N	1	0	364.453	1.330	20	30		FDEDRO
CN1C[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)CCC1=O	ZINC001086883769	952936333	/nfs/dbraw/zinc/93/63/33/952936333.db2.gz	WBLDLTOIPQMWLB-GBESFXJTSA-N	1	0	368.481	1.801	20	30		FDEDRO
COc1cccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2c2cnn(C)c2)n1	ZINC001086971087	952973360	/nfs/dbraw/zinc/97/33/60/952973360.db2.gz	WUXGMIKOXFCVKQ-XOKHGSTOSA-N	1	0	368.441	1.068	20	30		FDEDRO
Cc1cncc(C[NH2+][C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2c2cnn(C)c2)c1	ZINC001086978164	952989452	/nfs/dbraw/zinc/98/94/52/952989452.db2.gz	HSCVSJJWCHTGII-VQTJNVASSA-N	1	0	363.465	1.621	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cnc(N(C)C)cn2)C[C@H]1c1cnn(C)c1	ZINC001086979133	952992312	/nfs/dbraw/zinc/99/23/12/952992312.db2.gz	KTBHYTNVRGCCEN-DOTOQJQBSA-N	1	0	369.473	1.050	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)n2cnc(C)c2)C[C@H]1c1cnn(C)c1	ZINC001086983909	952997889	/nfs/dbraw/zinc/99/78/89/952997889.db2.gz	OENHYSONVVNNKJ-ZWKOTPCHSA-N	1	0	370.501	1.820	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3[nH]nc(C)c3c2)C[C@H]1c1cnn(C)c1	ZINC001086987527	953010056	/nfs/dbraw/zinc/01/00/56/953010056.db2.gz	XFWFCWWMVXKNKP-PKOBYXMFSA-N	1	0	362.437	1.436	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2OCCc3ccccc32)C[C@H]1c1cnn(C)c1	ZINC001086990010	953016308	/nfs/dbraw/zinc/01/63/08/953016308.db2.gz	FDDNCBLAYDDBQD-ZCNNSNEGSA-N	1	0	364.449	1.251	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cncnc2)C[C@H]1c1cnn(C)c1	ZINC001086993120	953026058	/nfs/dbraw/zinc/02/60/58/953026058.db2.gz	HYFXKLZZTIBPGU-FHLIZLRMSA-N	1	0	354.458	1.474	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2c(C)cc(C)[nH]c2=O)C[C@H]1c1cnn(C)c1	ZINC001086993401	953027081	/nfs/dbraw/zinc/02/70/81/953027081.db2.gz	XVMHLLCDMLFUQB-ZWKOTPCHSA-N	1	0	369.469	1.450	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1O	ZINC001196691884	971890246	/nfs/dbraw/zinc/89/02/46/971890246.db2.gz	MOVPHPGYJOJSLA-GVDBMIGSSA-N	1	0	353.507	1.445	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1O	ZINC001196691811	971890703	/nfs/dbraw/zinc/89/07/03/971890703.db2.gz	KQURNOPOBKNJJO-RCCFBDPRSA-N	1	0	351.491	1.199	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccnc2)C[C@H]1c1cnn(C)c1	ZINC001086998493	953043192	/nfs/dbraw/zinc/04/31/92/953043192.db2.gz	OYHQIEKCYQWBBJ-ZSYWTGECSA-N	1	0	351.454	1.689	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC(C)C)C2)nn1	ZINC001087000621	953051124	/nfs/dbraw/zinc/05/11/24/953051124.db2.gz	GKJXHAJERJHYSU-JKSUJKDBSA-N	1	0	357.462	1.051	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC)C2)cc1	ZINC001087000756	953052012	/nfs/dbraw/zinc/05/20/12/953052012.db2.gz	MQZXCTRMMWEENK-RBUKOAKNSA-N	1	0	352.438	1.650	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]C(C)C)C2)nn1	ZINC001087001139	953054120	/nfs/dbraw/zinc/05/41/20/953054120.db2.gz	FXYKGYKKPJAPKX-JKSUJKDBSA-N	1	0	357.462	1.194	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]cn2)C[C@H]1c1cnn(C)c1	ZINC001087001334	953054976	/nfs/dbraw/zinc/05/49/76/953054976.db2.gz	ORULNOYSBJOLOW-FHLIZLRMSA-N	1	0	356.474	1.482	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnn3ccccc23)C[C@H]1c1cnn(C)c1	ZINC001087002192	953056991	/nfs/dbraw/zinc/05/69/91/953056991.db2.gz	MHMYRVGBYYMTSW-DLBZAZTESA-N	1	0	350.426	1.452	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)COc2cccnc2)C[C@H]1c1cnn(C)c1	ZINC001087002027	953057008	/nfs/dbraw/zinc/05/70/08/953057008.db2.gz	BVBZGBXBYGYATC-ZWKOTPCHSA-N	1	0	355.442	1.354	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3ccccc3O2)C[C@H]1c1cnn(C)c1	ZINC001087002201	953057509	/nfs/dbraw/zinc/05/75/09/953057509.db2.gz	MWMVQBUUGVBXHG-NLWGTHIKSA-N	1	0	366.465	1.884	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2noc3c2C[C@@H](C)CC3)C[C@H]1c1cnn(C)c1	ZINC001087004175	953061337	/nfs/dbraw/zinc/06/13/37/953061337.db2.gz	JYVNKHVTZJYDQM-RRQGHBQHSA-N	1	0	367.453	1.364	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)CCN3C)C[C@H]1c1cnn(C)c1	ZINC001087004575	953062551	/nfs/dbraw/zinc/06/25/51/953062551.db2.gz	GNAALUWWEGRWPU-RBUKOAKNSA-N	1	0	365.481	1.796	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2C(C)C)C[C@H]1c1cnn(C)c1	ZINC001087009175	953097142	/nfs/dbraw/zinc/09/71/42/953097142.db2.gz	TZWDKUXGIAUYAG-DOTOQJQBSA-N	1	0	354.458	1.108	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(N(C)C)ccn2)C[C@H]1c1cnn(C)c1	ZINC001087011765	953104976	/nfs/dbraw/zinc/10/49/76/953104976.db2.gz	OFCLFKWSDYZLME-PKOBYXMFSA-N	1	0	368.485	1.655	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2cncc(F)c2)C[C@H]1c1cnn(C)c1	ZINC001087012696	953107594	/nfs/dbraw/zinc/10/75/94/953107594.db2.gz	LHQLEZDULIEBLN-ZWKOTPCHSA-N	1	0	355.417	1.104	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1cccc(COC)c1	ZINC001087036031	953146901	/nfs/dbraw/zinc/14/69/01/953146901.db2.gz	WCSBJXVDUCNIEA-KFKAGJAMSA-N	1	0	359.470	1.946	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1ocnc1C	ZINC001087040285	953157187	/nfs/dbraw/zinc/15/71/87/953157187.db2.gz	ZWSMBIUKVFJPOK-RHSMWYFYSA-N	1	0	357.414	1.450	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1cccnc1	ZINC001087045436	953170587	/nfs/dbraw/zinc/17/05/87/953170587.db2.gz	JDMCCPKPWVGNEY-SJLPKXTDSA-N	1	0	353.426	1.548	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1ncc(Cl)n1C	ZINC001087053311	953185305	/nfs/dbraw/zinc/18/53/05/953185305.db2.gz	IRJJNKYCADJGMV-HUUCEWRRSA-N	1	0	364.877	1.440	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1cnc(C)cn1	ZINC001087046848	953194459	/nfs/dbraw/zinc/19/44/59/953194459.db2.gz	DMDKBAVWMGMOEW-CRAIPNDOSA-N	1	0	368.441	1.252	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1cscn1	ZINC001087047065	953195449	/nfs/dbraw/zinc/19/54/49/953195449.db2.gz	QHRGMZUPXQQWJT-CZUORRHYSA-N	1	0	359.455	1.610	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]Cc2ccon2)[C@H](OCC)C1	ZINC001087059502	953201671	/nfs/dbraw/zinc/20/16/71/953201671.db2.gz	IZZNEUHNGOHETH-CRAIPNDOSA-N	1	0	358.442	1.929	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2csnn2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087070024	953221145	/nfs/dbraw/zinc/22/11/45/953221145.db2.gz	ZXBWPYSFFDHGQO-NVXWUHKLSA-N	1	0	371.466	1.677	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ncnn3C)[C@H](OCC)C2)cc1	ZINC001087071646	953225941	/nfs/dbraw/zinc/22/59/41/953225941.db2.gz	ZVZGCFVNUCYGDD-QZTJIDSGSA-N	1	0	367.453	1.063	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]C[C@H]3CCOC3)[C@H](OCC)C2)c1	ZINC001087082435	953241000	/nfs/dbraw/zinc/24/10/00/953241000.db2.gz	LUAYDFNVSQIZIJ-BHIYHBOVSA-N	1	0	357.454	1.166	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ocnc2C)[C@H](OCC)C1	ZINC001087085503	953246780	/nfs/dbraw/zinc/24/67/80/953246780.db2.gz	INTBAXMATSKTFK-XLMAVXFVSA-N	1	0	363.458	1.527	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cnon2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087092235	953256521	/nfs/dbraw/zinc/25/65/21/953256521.db2.gz	BGOKSPBKQXUTQG-NVXWUHKLSA-N	1	0	355.398	1.208	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ncccn2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087093041	953258089	/nfs/dbraw/zinc/25/80/89/953258089.db2.gz	PTHANCCUHDDGFN-QZTJIDSGSA-N	1	0	365.437	1.615	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CCN1c1ccc(C#N)nn1	ZINC001091785983	953303672	/nfs/dbraw/zinc/30/36/72/953303672.db2.gz	IGRZXZAVTHJFCA-YQVWRLOYSA-N	1	0	370.501	1.942	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)COCC[NH+](C)C)CCN1c1cc(C)ncc1C#N	ZINC001091793185	953315971	/nfs/dbraw/zinc/31/59/71/953315971.db2.gz	MIPYKNBODWAVFC-DLBZAZTESA-N	1	0	359.474	1.313	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccccc2)C1	ZINC001196804080	971922304	/nfs/dbraw/zinc/92/23/04/971922304.db2.gz	UPYBIIUMKFXQGA-MKXGPGLRSA-N	1	0	360.454	1.128	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4c[nH]nc4CC)C[C@]3(C)C2)C1=O	ZINC001091812022	953346078	/nfs/dbraw/zinc/34/60/78/953346078.db2.gz	QRJTUZMMDWNVBY-LIVBEALHSA-N	1	0	371.485	1.153	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccccc3OCC(N)=O)C[C@]2(C)C1	ZINC001091835341	953393020	/nfs/dbraw/zinc/39/30/20/953393020.db2.gz	DXRLNLVQNGLTHO-QRWLVFNGSA-N	1	0	357.454	1.521	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccn(C(C)(C)C)c2=O)C1	ZINC001196781427	971930155	/nfs/dbraw/zinc/93/01/55/971930155.db2.gz	SXYCNJNGIPFIJW-DJIMGWMZSA-N	1	0	361.486	1.733	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(CNC(C)=O)cc3)C[C@]2(C)C1	ZINC001091828106	953507190	/nfs/dbraw/zinc/50/71/90/953507190.db2.gz	CUCJCQKIOMJNKZ-CTNGQTDRSA-N	1	0	353.466	1.740	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cnoc3-c3cnn(C)c3)C[C@]2(C)C1	ZINC001091881601	953511034	/nfs/dbraw/zinc/51/10/34/953511034.db2.gz	PVIQVVFYDWMPIM-BEFAXECRSA-N	1	0	353.426	1.492	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cn(C)nc3[C@H]3CCOC3)C[C@]2(C)C1	ZINC001091887798	953529146	/nfs/dbraw/zinc/52/91/46/953529146.db2.gz	VDAJYKNSEQPVBL-YRNRMSPPSA-N	1	0	356.470	1.341	20	30		FDEDRO
N#Cc1cnc(N2CC[C@@H]3CN(C(=O)CCC[NH+]4CCCC4)C[C@@H]3C2)cn1	ZINC001091854122	953540148	/nfs/dbraw/zinc/54/01/48/953540148.db2.gz	XAUSRFVTXDDJGE-SJORKVTESA-N	1	0	368.485	1.509	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N1C[C@@H]2CN(c3snc(C)c3C#N)CC[C@@H]2C1	ZINC001091860530	953585428	/nfs/dbraw/zinc/58/54/28/953585428.db2.gz	WMGLYWHDIUTGER-CABCVRRESA-N	1	0	361.515	1.950	20	30		FDEDRO
C[C@]12CN(C(=O)[C@]3(C)CCC(=O)N3)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001091986616	953878790	/nfs/dbraw/zinc/87/87/90/953878790.db2.gz	SNAXNLDSWPPENE-QMMLZNLJSA-N	1	0	366.465	1.507	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)CCCC[NH+]2CCCC2)CCN1c1nccnc1C#N	ZINC001091988688	953889946	/nfs/dbraw/zinc/88/99/46/953889946.db2.gz	VYVZMMGNSZPQOP-CVEARBPZSA-N	1	0	356.474	1.698	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)CCC2CCCC2)C1	ZINC001196932280	971976830	/nfs/dbraw/zinc/97/68/30/971976830.db2.gz	HKXPWAPYUHOKJD-CGTJXYLNSA-N	1	0	365.518	1.589	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cc(CN4CCCC4)on3)C[C@]2(C)C1	ZINC001092014935	954059695	/nfs/dbraw/zinc/05/96/95/954059695.db2.gz	HDVBQJXFBCKCCD-UZLBHIALSA-N	1	0	356.470	1.688	20	30		FDEDRO
Cc1cc(C#N)nc(N2CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H]2C)n1	ZINC001092050750	954137138	/nfs/dbraw/zinc/13/71/38/954137138.db2.gz	BLFHGFSNMSSDDP-ZBFHGGJFSA-N	1	0	358.490	1.718	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(CNC(C)=O)s3)C[C@]2(C)C1	ZINC001092051650	954141206	/nfs/dbraw/zinc/14/12/06/954141206.db2.gz	HFRUCXZTLHHECQ-BEFAXECRSA-N	1	0	359.495	1.801	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3cc(OC)no3)C[C@H]21	ZINC000961997238	1013124150	/nfs/dbraw/zinc/12/41/50/1013124150.db2.gz	XPUSEYAEGSQLDQ-DTJSUFBGSA-N	1	0	361.442	1.601	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)CCc3ccccc3C(N)=O)C[C@]2(C)C1	ZINC001092199869	954519937	/nfs/dbraw/zinc/51/99/37/954519937.db2.gz	SLENJCKKBULORP-UTKZUKDTSA-N	1	0	353.466	1.522	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001092215404	954544841	/nfs/dbraw/zinc/54/48/41/954544841.db2.gz	SWFGBJVFZQXCTA-UWVAXJGDSA-N	1	0	352.438	1.117	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+]([C@@H]4CCCN(C)C4=O)C[C@@]3(C)C2)cn1	ZINC001092211793	954619542	/nfs/dbraw/zinc/61/95/42/954619542.db2.gz	NJQQUBHEKKWSBH-BLIXFSHQSA-N	1	0	366.465	1.078	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)COc3ccc(C(N)=O)cc3)C[C@]2(C)C1	ZINC001092286185	954863177	/nfs/dbraw/zinc/86/31/77/954863177.db2.gz	QCAHSDWNIOHESR-UTKZUKDTSA-N	1	0	371.481	1.911	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)Cc4ccc[nH]4)C[C@]3(C)C2)C1=O	ZINC001092290995	954885790	/nfs/dbraw/zinc/88/57/90/954885790.db2.gz	NACABQXNZISFRV-SYNHAJSKSA-N	1	0	356.470	1.124	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1C[C@H]2CN(c3ccc(C#N)c(C)n3)C[C@@]2(C)C1	ZINC001092296742	954909790	/nfs/dbraw/zinc/90/97/90/954909790.db2.gz	DMFRKQNKOVVQSJ-XLIONFOSSA-N	1	0	355.486	1.888	20	30		FDEDRO
CCC[N@H+](C)CC(=O)NC[C@@H]1CN(c2cc(C#N)nc(CC)n2)C[C@H]1C	ZINC001092390087	954991131	/nfs/dbraw/zinc/99/11/31/954991131.db2.gz	BJSJJANDINHYMG-HUUCEWRRSA-N	1	0	358.490	1.441	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC[C@@H]1CN(c2nccnc2C#N)C[C@H]1C	ZINC001092415960	955147411	/nfs/dbraw/zinc/14/74/11/955147411.db2.gz	KTYASWBTWDMDHJ-BRWVUGGUSA-N	1	0	370.501	1.800	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)[C@H]1COCCO1	ZINC001092469322	955201956	/nfs/dbraw/zinc/20/19/56/955201956.db2.gz	ACKMMIWMGJOKPZ-MZMPZRCHSA-N	1	0	361.417	1.297	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)c1nccnc1N	ZINC001092514432	955297895	/nfs/dbraw/zinc/29/78/95/955297895.db2.gz	KGLMVODMKATRDM-IUODEOHRSA-N	1	0	368.416	1.567	20	30		FDEDRO
Cc1c(C(=O)NC[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]2C)nnn1C	ZINC001092518241	955303775	/nfs/dbraw/zinc/30/37/75/955303775.db2.gz	KOBNWAWNHDWVNT-RHSMWYFYSA-N	1	0	369.444	1.612	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)c1cn(C)cn1	ZINC001092544988	955373217	/nfs/dbraw/zinc/37/32/17/955373217.db2.gz	BLUKSDRATCQDIQ-NVXWUHKLSA-N	1	0	367.453	1.820	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC001092531078	955489874	/nfs/dbraw/zinc/48/98/74/955489874.db2.gz	RWKCSIGUQIQQBW-CXAGYDPISA-N	1	0	365.437	1.483	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)c1ncc[nH]1	ZINC001092595833	955590747	/nfs/dbraw/zinc/59/07/47/955590747.db2.gz	BACVVQSXEFSAMY-GDBMZVCRSA-N	1	0	353.426	1.810	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC(=O)NC2CCCC2)C1	ZINC001197154928	972123747	/nfs/dbraw/zinc/12/37/47/972123747.db2.gz	IUBDYCQCWDDVIW-QZTJIDSGSA-N	1	0	365.518	1.733	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)NC[C@]23CCC[C@H]2N(c2cnc(C#N)cn2)CC3)C1	ZINC001092701055	956091424	/nfs/dbraw/zinc/09/14/24/956091424.db2.gz	RBJKCXPCXQZBCZ-XAUMDUMWSA-N	1	0	368.485	1.555	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@]12CCC[C@H]1N(c1ccnc(C#N)n1)CC2	ZINC001092712700	956149859	/nfs/dbraw/zinc/14/98/59/956149859.db2.gz	DUUVYYMSNIASHP-JXXFODFXSA-N	1	0	368.485	1.698	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cnc(C)cn2)C[C@H]1C	ZINC001092689886	956197562	/nfs/dbraw/zinc/19/75/62/956197562.db2.gz	QILRRMZQLFFALG-SUMDDJOVSA-N	1	0	355.486	1.067	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)[C@H](C)C1	ZINC001092690276	956199193	/nfs/dbraw/zinc/19/91/93/956199193.db2.gz	DXLOUQRRFGSMBV-VBSBHUPXSA-N	1	0	356.466	1.851	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cccc(OC)c2)C[C@H]1C	ZINC001092689975	956199542	/nfs/dbraw/zinc/19/95/42/956199542.db2.gz	WAUIAYJMBYTMCM-QFUCXCTJSA-N	1	0	369.509	1.977	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)c2cnc3ccccn3c2=O)[C@H](C)C1	ZINC001092736330	956227434	/nfs/dbraw/zinc/22/74/34/956227434.db2.gz	PZLONPXGCFQFOQ-HZPDHXFCSA-N	1	0	354.454	1.958	20	30		FDEDRO
C=CCOc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@H](CC)C(N)=O)C[C@H]2C)cc1	ZINC001092740117	956236064	/nfs/dbraw/zinc/23/60/64/956236064.db2.gz	IQVDKERVFCTCKZ-QGPMSJSTSA-N	1	0	359.470	1.813	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1CCN(C)C(=O)C1	ZINC001092740540	956236384	/nfs/dbraw/zinc/23/63/84/956236384.db2.gz	PVVINYRDPNQYJB-MISYRCLQSA-N	1	0	367.493	1.591	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)[C@H]1CCC(=O)NC1	ZINC001092760895	956300089	/nfs/dbraw/zinc/30/00/89/956300089.db2.gz	SSEDVODHVGCNFD-HZSPNIEDSA-N	1	0	360.483	1.330	20	30		FDEDRO
COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC#Cc1ccccc1)C2	ZINC001110135483	956307402	/nfs/dbraw/zinc/30/74/02/956307402.db2.gz	FPVGJUHEWKJFJB-AABGKKOBSA-N	1	0	356.466	1.813	20	30		FDEDRO
N#Cc1nccnc1N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2	ZINC001092847256	956487621	/nfs/dbraw/zinc/48/76/21/956487621.db2.gz	DPBCCPJWWZGUOA-VYDXJSESSA-N	1	0	354.458	1.450	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)c1coc(C(N)=O)c1	ZINC001092850733	956581743	/nfs/dbraw/zinc/58/17/43/956581743.db2.gz	AKPFPFUTBCEANV-CRAIPNDOSA-N	1	0	365.433	1.728	20	30		FDEDRO
N#Cc1cncc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCC[NH+]2CCCC2)C3)n1	ZINC001092853522	956688721	/nfs/dbraw/zinc/68/87/21/956688721.db2.gz	MXMIGBRZKKDQPO-SQNIBIBYSA-N	1	0	368.485	1.840	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2COCCN2CC2CCC2)[C@H](C)C1	ZINC001092855126	956697305	/nfs/dbraw/zinc/69/73/05/956697305.db2.gz	HHBFCMNWWPNIIM-OLMNPRSZSA-N	1	0	369.937	1.924	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3csc(C)n3)[C@H](C)C2)C1=O	ZINC001092909892	956747746	/nfs/dbraw/zinc/74/77/46/956747746.db2.gz	JMKCZWSATWHSAO-XPKDYRNWSA-N	1	0	362.499	1.536	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3ccc(Cl)[nH]3)[C@H](C)C2)C1=O	ZINC001092941769	956863799	/nfs/dbraw/zinc/86/37/99/956863799.db2.gz	UWLHILYMTIWYMU-NFAWXSAZSA-N	1	0	364.877	1.753	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3cc(C4CC4)n[nH]3)[C@H](C)C2)C1=O	ZINC001092995030	957084629	/nfs/dbraw/zinc/08/46/29/957084629.db2.gz	MUJYBYMDJLUOOS-DDUZABMNSA-N	1	0	371.485	1.372	20	30		FDEDRO
Cc1nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2([NH+](C)C)CCC2)C3)ccc1C#N	ZINC001093022714	957158872	/nfs/dbraw/zinc/15/88/72/957158872.db2.gz	ADBANQCAXOEJOR-ZACQAIPSSA-N	1	0	353.470	1.972	20	30		FDEDRO
CCc1nc(C#N)cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2([NH+](C)C)CCC2)C3)n1	ZINC001093023799	957161322	/nfs/dbraw/zinc/16/13/22/957161322.db2.gz	ZWOQKLRUHQTQGV-OAGGEKHMSA-N	1	0	368.485	1.621	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)[C@H](C)C1	ZINC001093049194	957218639	/nfs/dbraw/zinc/21/86/39/957218639.db2.gz	STGVTIPKSAUIHT-NCXUSEDFSA-N	1	0	360.502	1.939	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]2C)cc1	ZINC001093031875	957244208	/nfs/dbraw/zinc/24/42/08/957244208.db2.gz	LLOVSCXJHRKKCK-SOLBZPMBSA-N	1	0	371.481	1.473	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(F)cn3)C[C@H]2C)nn1	ZINC001093035117	957252337	/nfs/dbraw/zinc/25/23/37/957252337.db2.gz	NTAZMVOSPQGIPL-ZIAGYGMSSA-N	1	0	358.421	1.496	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3nc(C)cs3)C[C@H]2C)nn1	ZINC001093035278	957254174	/nfs/dbraw/zinc/25/41/74/957254174.db2.gz	WCOKFFNRUGUJRU-TZMCWYRMSA-N	1	0	360.487	1.727	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]2C)nn1	ZINC001093039845	957263281	/nfs/dbraw/zinc/26/32/81/957263281.db2.gz	AFDPVMWVVGCRCK-NVXWUHKLSA-N	1	0	361.490	1.579	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3nccnc3C)C[C@H]2C)nn1	ZINC001093039860	957263431	/nfs/dbraw/zinc/26/34/31/957263431.db2.gz	ATUYMZXEICGOGX-GDBMZVCRSA-N	1	0	369.473	1.451	20	30		FDEDRO
N#Cc1ccc(N2C[C@@H]3CCC[C@]3(NC(=O)CC[NH+]3CCCCC3)C2)nn1	ZINC001093087336	957281390	/nfs/dbraw/zinc/28/13/90/957281390.db2.gz	DHAJXUMVUHKLRA-JXFKEZNVSA-N	1	0	368.485	1.699	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)c1ccncn1	ZINC001093066423	957310225	/nfs/dbraw/zinc/31/02/25/957310225.db2.gz	CAQDPBKIZYHHTC-CZUORRHYSA-N	1	0	353.401	1.985	20	30		FDEDRO
C[N@H+](CC(=O)N[C@]12CCC[C@H]1CN(c1cncc(C#N)n1)C2)C1CCC1	ZINC001093106170	957471389	/nfs/dbraw/zinc/47/13/89/957471389.db2.gz	IOBSXIRABRQVPK-LIRRHRJNSA-N	1	0	354.458	1.308	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(c1ncc(C#N)cc1F)C2	ZINC001093092062	957539821	/nfs/dbraw/zinc/53/98/21/957539821.db2.gz	AWLXAGFONMAITJ-KXBFYZLASA-N	1	0	359.449	1.909	20	30		FDEDRO
C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1CN(c1ccc(C#N)nc1)C2	ZINC001093092105	957540342	/nfs/dbraw/zinc/54/03/42/957540342.db2.gz	DGEICKHZEUJEAO-KXBFYZLASA-N	1	0	357.458	1.007	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(OCCOC)cc2)C1	ZINC001197535734	972278307	/nfs/dbraw/zinc/27/83/07/972278307.db2.gz	BZEBEEDSJHILCZ-KFKAGJAMSA-N	1	0	362.470	1.841	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccn(CC)n3)C[C@H]2C)cn1	ZINC001093143155	957640922	/nfs/dbraw/zinc/64/09/22/957640922.db2.gz	RCCOURXYCBUUFH-NVXWUHKLSA-N	1	0	351.454	1.777	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCn3nc(C)cc3C)C[C@H]2C)cn1	ZINC001093143028	957641121	/nfs/dbraw/zinc/64/11/21/957641121.db2.gz	OQVRRBGSZJHATI-DNVCBOLYSA-N	1	0	365.481	1.874	20	30		FDEDRO
CCN1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)C1	ZINC001093213268	957831195	/nfs/dbraw/zinc/83/11/95/957831195.db2.gz	XZZKRJQBNUMLAL-NSISKUIASA-N	1	0	370.497	1.463	20	30		FDEDRO
COc1ccc(C(=NO)NC(=O)c2cc(C)n(-c3cc[nH+]cc3)n2)nc1	ZINC001197545279	972296324	/nfs/dbraw/zinc/29/63/24/972296324.db2.gz	IVMBJYLKLSIBMM-UHFFFAOYSA-N	1	0	352.354	1.545	20	30		FDEDRO
CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C	ZINC001093232953	957873855	/nfs/dbraw/zinc/87/38/55/957873855.db2.gz	BMQVHADELKGYHG-CDHQVMDDSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3ccccn3)C[C@H]2C)C1=O	ZINC001093270803	957936485	/nfs/dbraw/zinc/93/64/85/957936485.db2.gz	LDZHNQWCKQUXNC-NUJGCVRESA-N	1	0	356.470	1.556	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3ccn(C)c3)C[C@H]2C)C1=O	ZINC001093273721	957942960	/nfs/dbraw/zinc/94/29/60/957942960.db2.gz	FLSKUJJRNZOCCY-NUJGCVRESA-N	1	0	358.486	1.500	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2	ZINC001110142545	957991098	/nfs/dbraw/zinc/99/10/98/957991098.db2.gz	GOLPHWQJOUOENG-QYZOEREBSA-N	1	0	370.497	1.386	20	30		FDEDRO
CC#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2OCCO[C@H]2C)CC1	ZINC001093370951	958014179	/nfs/dbraw/zinc/01/41/79/958014179.db2.gz	HYVYEGGIUWQGCH-WDSOQIARSA-N	1	0	360.498	1.907	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nccnc3N)[C@H]2C(C)C)C[C@H]1O	ZINC001093433329	958060240	/nfs/dbraw/zinc/06/02/40/958060240.db2.gz	CEGINRFWSNMFQP-GTACMHHNSA-N	1	0	359.474	1.215	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cc(C)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093434999	958063492	/nfs/dbraw/zinc/06/34/92/958063492.db2.gz	QUERVHNLGURZAI-JYBIWHBTSA-N	1	0	360.502	1.734	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093435776	958065348	/nfs/dbraw/zinc/06/53/48/958065348.db2.gz	VRGNVPVBADNASP-LMSBXDPUSA-N	1	0	366.893	1.602	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nccc(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093441741	958078822	/nfs/dbraw/zinc/07/88/22/958078822.db2.gz	AJSLYIVGHRLUSY-WWNBULGVSA-N	1	0	358.486	1.941	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)C#CC2CC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccccn1)C2	ZINC001093442614	958080969	/nfs/dbraw/zinc/08/09/69/958080969.db2.gz	JHCNZAFEXOMXRA-KRXUUXHPSA-N	1	0	367.493	1.961	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C4CCC4)nn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093445381	958092067	/nfs/dbraw/zinc/09/20/67/958092067.db2.gz	BYHSZXXGXYZXBY-UIXUWTQFSA-N	1	0	371.485	1.216	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(OC)ns3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093446725	958096376	/nfs/dbraw/zinc/09/63/76/958096376.db2.gz	LCBPTFVGQYXNEL-ZHCAMHROSA-N	1	0	365.499	1.917	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@H]1C(C)C	ZINC001093447999	958104368	/nfs/dbraw/zinc/10/43/68/958104368.db2.gz	CCPUTGVCBBPFEY-HOPMXRPOSA-N	1	0	371.909	1.217	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3c[nH]cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093448052	958104790	/nfs/dbraw/zinc/10/47/90/958104790.db2.gz	CRISGLFOOUGMJC-LFGUQSLTSA-N	1	0	360.502	1.885	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3c[nH]cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093448051	958105018	/nfs/dbraw/zinc/10/50/18/958105018.db2.gz	CRISGLFOOUGMJC-JYBIWHBTSA-N	1	0	360.502	1.885	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3scnc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001093448698	958110124	/nfs/dbraw/zinc/11/01/24/958110124.db2.gz	LHENIXUIYDJFIU-IIHSZXCVSA-N	1	0	361.511	1.918	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc4c([nH]3)CCOC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093449246	958114704	/nfs/dbraw/zinc/11/47/04/958114704.db2.gz	OBPHQSLVAPPQRA-ANTGDGSKSA-N	1	0	371.481	1.300	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(F)CCOCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093450126	958120790	/nfs/dbraw/zinc/12/07/90/958120790.db2.gz	TXXMQFYIRZAFDC-YFHUEUNASA-N	1	0	354.466	1.657	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncnc4[nH]ccc43)[C@H]2C(C)C)C[C@H]1O	ZINC001093452024	958137364	/nfs/dbraw/zinc/13/73/64/958137364.db2.gz	BSNLGUJPCOVZLZ-UOSKARGWSA-N	1	0	367.453	1.122	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3ccncc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452093	958137974	/nfs/dbraw/zinc/13/79/74/958137974.db2.gz	CMVFJYKIKMUQLJ-VURPSTOHSA-N	1	0	355.482	1.614	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001093465427	958203669	/nfs/dbraw/zinc/20/36/69/958203669.db2.gz	JOOBZJUJYRBUSQ-ZTRFORPCSA-N	1	0	362.518	1.208	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc(C4CC4)nc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093468305	958218548	/nfs/dbraw/zinc/21/85/48/958218548.db2.gz	YNVUHJVZIZASPS-NEYJZJCJSA-N	1	0	368.481	1.567	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(CC)c[nH]c3=O)[C@H]2C(C)C)C[C@H]1O	ZINC001093468666	958220530	/nfs/dbraw/zinc/22/05/30/958220530.db2.gz	AUJOJVULZPDFID-WIRSXHRWSA-N	1	0	371.481	1.563	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C(C)C)nn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093468994	958220607	/nfs/dbraw/zinc/22/06/07/958220607.db2.gz	CZTHCFWIHLWHIJ-NWGLXNPWSA-N	1	0	361.490	1.625	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3coc(CC4CC4)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093469635	958223449	/nfs/dbraw/zinc/22/34/49/958223449.db2.gz	JDFQSWQXFYFRKU-WELBPKCISA-N	1	0	371.481	1.840	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CC)C3)[C@@H]2C(C)C)nn1	ZINC001093470317	958228500	/nfs/dbraw/zinc/22/85/00/958228500.db2.gz	SPULHGOUIRCCPL-VYCZESIESA-N	1	0	361.490	1.454	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3[nH]cnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093471728	958235990	/nfs/dbraw/zinc/23/59/90/958235990.db2.gz	GKKXGFADZWSWRP-HNBVOPMISA-N	1	0	360.502	1.803	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC)C2)[C@H]1C(C)C	ZINC001093472817	958241837	/nfs/dbraw/zinc/24/18/37/958241837.db2.gz	KXNBXFUIUXRSSG-IKVWTGGYSA-N	1	0	371.481	1.693	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc(OC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093474259	958247830	/nfs/dbraw/zinc/24/78/30/958247830.db2.gz	UHBLCOCBILPZKP-HBXLWWENSA-N	1	0	359.470	1.856	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(N(C)C)cc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093474638	958248302	/nfs/dbraw/zinc/24/83/02/958248302.db2.gz	TXSBMFYLJZIBQM-VMBXEPDQSA-N	1	0	369.509	1.966	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CCF)C3)[C@H]2C(C)C)nc1	ZINC001093475564	958253075	/nfs/dbraw/zinc/25/30/75/958253075.db2.gz	YNNROUZPTUCZBI-MLYOOKFZSA-N	1	0	359.445	1.612	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)cc(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093452839	958259483	/nfs/dbraw/zinc/25/94/83/958259483.db2.gz	OURFAHUOEMHKIZ-BNDYYXHWSA-N	1	0	355.482	1.911	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc(Cl)n3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093452707	958259659	/nfs/dbraw/zinc/25/96/59/958259659.db2.gz	MWTJEERBBIFJAK-LJGDNWOOSA-N	1	0	364.877	1.286	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc4nccn4c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093453579	958263319	/nfs/dbraw/zinc/26/33/19/958263319.db2.gz	WSYHVBGHHUNPKJ-PDOICOKGSA-N	1	0	369.469	1.495	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc(Cl)n3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093453911	958264439	/nfs/dbraw/zinc/26/44/39/958264439.db2.gz	YAMSLBUGABYAJH-DRRHNWJESA-N	1	0	366.893	1.839	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(OC)ccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093454270	958266791	/nfs/dbraw/zinc/26/67/91/958266791.db2.gz	BELKCJSREOSOGV-FTEYMNFISA-N	1	0	357.454	1.303	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3ccccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093455848	958274392	/nfs/dbraw/zinc/27/43/92/958274392.db2.gz	QQGSXUQOPUOQKY-RMVXJAJNSA-N	1	0	355.482	1.614	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(Cl)n(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093456477	958277338	/nfs/dbraw/zinc/27/73/38/958277338.db2.gz	DKRXQKPDRPOOPH-AHEZYBDSSA-N	1	0	366.893	1.839	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncc(CC)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093456968	958278465	/nfs/dbraw/zinc/27/84/65/958278465.db2.gz	HKAMHXXMUHGMLU-BNDYYXHWSA-N	1	0	355.482	1.857	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)c(C)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093457833	958281078	/nfs/dbraw/zinc/28/10/78/958281078.db2.gz	LGFMXPDMJWZJQV-XCJLJZCSSA-N	1	0	355.482	1.911	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn4cccnc34)[C@@H]2C(C)C)C[C@H]1O	ZINC001093458388	958283159	/nfs/dbraw/zinc/28/31/59/958283159.db2.gz	CSELSAKOZSLZOL-WOCWXWTJSA-N	1	0	369.469	1.495	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3snnc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093458878	958285678	/nfs/dbraw/zinc/28/56/78/958285678.db2.gz	PUCDZLPGAWRVGK-SZXPJGKVSA-N	1	0	364.515	1.866	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncc(C)cc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093459218	958287938	/nfs/dbraw/zinc/28/79/38/958287938.db2.gz	RZMBVRPRASXFFO-VGUOSERISA-N	1	0	355.482	1.911	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(=O)[nH]c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093480272	958301240	/nfs/dbraw/zinc/30/12/40/958301240.db2.gz	YCBQDLSMJGZQMW-QQTQMKHKSA-N	1	0	359.470	1.943	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccccc3OC)[C@H]2C(C)C)C[C@H]1O	ZINC001093480428	958302338	/nfs/dbraw/zinc/30/23/38/958302338.db2.gz	ZRCQWCCXJQWAFQ-RPHTVSPISA-N	1	0	370.493	1.837	20	30		FDEDRO
C#CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@@H]2CCO[C@H]2C=C)CC1	ZINC001093489786	958311410	/nfs/dbraw/zinc/31/14/10/958311410.db2.gz	HUOMEQJRVZETMA-WCIQWLHISA-N	1	0	357.498	1.350	20	30		FDEDRO
C=C(Cl)CN1CC(OC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1	ZINC001093537427	958320637	/nfs/dbraw/zinc/32/06/37/958320637.db2.gz	TVVWHEIZUYREQQ-RHSMWYFYSA-N	1	0	355.910	1.771	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001093630085	958390394	/nfs/dbraw/zinc/39/03/94/958390394.db2.gz	HEVKEDZQYNXGHW-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001093669949	958427205	/nfs/dbraw/zinc/42/72/05/958427205.db2.gz	RHINZZBRFJHFSL-RDTXWAMCSA-N	1	0	369.444	1.858	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3n[nH]c(C)c3C)C[C@H]2C)C1=O	ZINC001093682524	958489239	/nfs/dbraw/zinc/48/92/39/958489239.db2.gz	PCKVEQDLALCCON-WQVCFCJDSA-N	1	0	359.474	1.111	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2cc(C(F)(F)F)nn2C)[C@H](C)C1	ZINC001093679700	958534783	/nfs/dbraw/zinc/53/47/83/958534783.db2.gz	YNYMGHNEVNBXSW-QJPTWQEYSA-N	1	0	357.380	1.783	20	30		FDEDRO
COc1cc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)ccn1	ZINC001093722421	958598222	/nfs/dbraw/zinc/59/82/22/958598222.db2.gz	BFBQKYZEAMTGEC-UKRRQHHQSA-N	1	0	353.426	1.788	20	30		FDEDRO
CCc1nnc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)o1	ZINC001093722654	958599260	/nfs/dbraw/zinc/59/92/60/958599260.db2.gz	YSNTVFBNQRCOQB-FRRDWIJNSA-N	1	0	356.430	1.891	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]C[C@H]1CCNC(=O)CC1	ZINC001093725738	958608690	/nfs/dbraw/zinc/60/86/90/958608690.db2.gz	BVWFQBYIEWWWAA-IIAWOOMASA-N	1	0	357.458	1.100	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093739435	958652183	/nfs/dbraw/zinc/65/21/83/958652183.db2.gz	DGGYPQSGTYZWPG-CRAIPNDOSA-N	1	0	352.442	1.424	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cncnc2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001093739787	958654948	/nfs/dbraw/zinc/65/49/48/958654948.db2.gz	FFFVIHNAZNSBKF-RDTXWAMCSA-N	1	0	367.428	1.914	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cncnc2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093740008	958657411	/nfs/dbraw/zinc/65/74/11/958657411.db2.gz	UXHBPXYSJKYBHW-UKRRQHHQSA-N	1	0	355.467	1.837	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccnc(OC)n2)[C@H](C)C1	ZINC001093779092	958875786	/nfs/dbraw/zinc/87/57/86/958875786.db2.gz	XUSJOADBLNHSSO-AHCXZYCDSA-N	1	0	374.485	1.651	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]C[C@H]2CCc3ncnn32)[C@H](C)C1	ZINC001093824771	958903135	/nfs/dbraw/zinc/90/31/35/958903135.db2.gz	KTIIRIRGMFPQPU-BRWVUGGUSA-N	1	0	368.485	1.751	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1	ZINC001093842932	958958876	/nfs/dbraw/zinc/95/88/76/958958876.db2.gz	PDYVUTFBIKSLNT-ZYHUDNBSSA-N	1	0	359.455	1.855	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCN(C)C2=O)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093847014	958970030	/nfs/dbraw/zinc/97/00/30/958970030.db2.gz	LKMGBGVAFCDKMI-AYOQOUSVSA-N	1	0	368.481	1.611	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093849880	958974995	/nfs/dbraw/zinc/97/49/95/958974995.db2.gz	STIRETZUIQBGTC-CZUORRHYSA-N	1	0	351.410	1.552	20	30		FDEDRO
CCN1CCOC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1	ZINC001093881295	959105230	/nfs/dbraw/zinc/10/52/30/959105230.db2.gz	PZGAWFJJRFHHDE-AHRSYUTCSA-N	1	0	370.497	1.463	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093883715	959112254	/nfs/dbraw/zinc/11/22/54/959112254.db2.gz	WJGJPVTZVYBNOT-HZSPNIEDSA-N	1	0	360.483	1.330	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nnnn3C(C)C)[C@H](C)C2)cc1	ZINC001093957296	959351046	/nfs/dbraw/zinc/35/10/46/959351046.db2.gz	OKJNMNRBYAOELH-CRAIPNDOSA-N	1	0	366.469	1.733	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3occc3CC)C[C@H]2C)C1=O	ZINC001094019098	959535564	/nfs/dbraw/zinc/53/55/64/959535564.db2.gz	SILYHSZHQLBEAN-OIISXLGYSA-N	1	0	359.470	1.927	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3c(C)nnn3CC)[C@H](C)C2)c1	ZINC001094027815	959548934	/nfs/dbraw/zinc/54/89/34/959548934.db2.gz	GGHUXNMMHZONMU-RDTXWAMCSA-N	1	0	366.469	1.481	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccn(C)c(=O)c2)[C@H](C)C1	ZINC001094054694	959641809	/nfs/dbraw/zinc/64/18/09/959641809.db2.gz	MAWDZPMRRFFSOO-DDBAPUKQSA-N	1	0	359.470	1.161	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3nonc3C)[C@H](C)C2)nn1	ZINC001094101233	959726213	/nfs/dbraw/zinc/72/62/13/959726213.db2.gz	JRFNTDUEUCSZBY-TZMCWYRMSA-N	1	0	359.434	1.044	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ccn(CC)n3)[C@H](C)C2)nn1	ZINC001094095703	959773619	/nfs/dbraw/zinc/77/36/19/959773619.db2.gz	XFJNDYKYVOVSDC-HUUCEWRRSA-N	1	0	357.462	1.178	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ccn(CC)n3)[C@H](C)C2)nn1	ZINC001094099685	959782539	/nfs/dbraw/zinc/78/25/39/959782539.db2.gz	JSHFFCRHTYHCGD-HZPDHXFCSA-N	1	0	371.489	1.569	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cncc(OC)n2)[C@H](C)C1	ZINC001094103471	959884826	/nfs/dbraw/zinc/88/48/26/959884826.db2.gz	RCZGULOJTCFCKQ-RRIFGTCXSA-N	1	0	374.485	1.651	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001094106752	959891452	/nfs/dbraw/zinc/89/14/52/959891452.db2.gz	BHAWXYARXWMWHJ-MGPQQGTHSA-N	1	0	360.483	1.473	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3c[nH]nc3C3CC3)C[C@H]2C)C1=O	ZINC001094145000	959901130	/nfs/dbraw/zinc/90/11/30/959901130.db2.gz	SPAJSVCWTMSYBY-FRFSOERESA-N	1	0	371.485	1.372	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001094166639	959954727	/nfs/dbraw/zinc/95/47/27/959954727.db2.gz	IKYIVWNVLCLQRP-RHSMWYFYSA-N	1	0	369.444	1.858	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nnc(C4CC4)o3)[C@H](C)C2)nc1	ZINC001094172791	959971547	/nfs/dbraw/zinc/97/15/47/959971547.db2.gz	YUJCLULVRHDHQU-CZUORRHYSA-N	1	0	365.437	1.821	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](C)OC	ZINC001110155936	960271320	/nfs/dbraw/zinc/27/13/20/960271320.db2.gz	GYMIKVNDCDROSR-KBXIAJHMSA-N	1	0	352.479	1.007	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@H]4COC(=O)N4)CCC[C@@H]23)c1	ZINC001094407524	960387551	/nfs/dbraw/zinc/38/75/51/960387551.db2.gz	QITINMVTJRAMGC-MBOZVWFJSA-N	1	0	368.437	1.527	20	30		FDEDRO
CNC(=O)C1(NCC(=O)Nc2ccc(C#N)c(Cl)c2)CCOCC1	ZINC001197826582	972500063	/nfs/dbraw/zinc/50/00/63/972500063.db2.gz	OXCYPTZLYJVABE-UHFFFAOYSA-N	1	0	350.806	1.035	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)CCC[C@@H]12	ZINC001094415017	960403951	/nfs/dbraw/zinc/40/39/51/960403951.db2.gz	JHZUHRGIHDYLAS-XAUMDUMWSA-N	1	0	369.469	1.147	20	30		FDEDRO
Cn1nncc1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccc(C#N)cc1)CC2	ZINC001094406476	960457067	/nfs/dbraw/zinc/45/70/67/960457067.db2.gz	YKXWUOUCJYUGOT-UYAOXDASSA-N	1	0	364.453	1.861	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccnn1C)CC2	ZINC001094437008	960482099	/nfs/dbraw/zinc/48/20/99/960482099.db2.gz	LISZTHYPRCLORS-QKNQBKEWSA-N	1	0	369.513	1.379	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4ccccn4c3=O)CCC[C@@H]12	ZINC001094449264	960520870	/nfs/dbraw/zinc/52/08/70/960520870.db2.gz	LKLUJQSTRVTAND-DYESRHJHSA-N	1	0	364.449	1.692	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cn(C)nc3[C@@H]3CCOC3)CCC[C@@H]12	ZINC001094478630	960656238	/nfs/dbraw/zinc/65/62/38/960656238.db2.gz	YBFQTGFIUYERID-HGHGUNKESA-N	1	0	370.497	1.922	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[C@H](OC)CN3C(C)=O)CCC[C@@H]12	ZINC001094478591	960656443	/nfs/dbraw/zinc/65/64/43/960656443.db2.gz	WZLQIBOIDDDAIY-JRBPQWBISA-N	1	0	363.502	1.559	20	30		FDEDRO
O=C(NC[C@]12CCC[C@H]1[N@H+](CC#Cc1ccc(F)cc1)CC2)c1nnc[nH]1	ZINC001094537507	960759163	/nfs/dbraw/zinc/75/91/63/960759163.db2.gz	CBCJSYKCFVRFNL-YLJYHZDGSA-N	1	0	367.428	1.970	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2cccc(F)c2C#N)C[C@H]1[NH+]1CCCC1	ZINC000773308674	960979168	/nfs/dbraw/zinc/97/91/68/960979168.db2.gz	SSKAJGRJMJBYDQ-CABCVRRESA-N	1	0	369.487	1.898	20	30		FDEDRO
CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)Cc2ccccc2C#N)CC1	ZINC001181797354	961120152	/nfs/dbraw/zinc/12/01/52/961120152.db2.gz	BBQYXXYHTMLWIE-UHFFFAOYSA-N	1	0	368.481	1.646	20	30		FDEDRO
N#Cc1ccccc1CC(=O)n1ccc(=[NH+]CCN2CCOCC2)c(N)c1	ZINC001181797172	961120313	/nfs/dbraw/zinc/12/03/13/961120313.db2.gz	IHHSMLSIMMZLBL-UHFFFAOYSA-N	1	0	365.437	1.058	20	30		FDEDRO
C=CCOCc1nn([C@@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)c2c1C[NH2+]C2	ZINC001171707427	961253805	/nfs/dbraw/zinc/25/38/05/961253805.db2.gz	WRNNESNJBXNNNE-GFCCVEGCSA-N	1	0	362.430	1.897	20	30		FDEDRO
C[C@@H](CCCC#N)[NH2+]Cc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC001172488969	961685587	/nfs/dbraw/zinc/68/55/87/961685587.db2.gz	ORVRXLZBPRCMLW-HNNXBMFYSA-N	1	0	351.472	1.879	20	30		FDEDRO
CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CC[N@@H+]([C@@H](C)CCCC#N)C2	ZINC001172495301	961686012	/nfs/dbraw/zinc/68/60/12/961686012.db2.gz	OYMAPEWFSFJZCE-OXJNMPFZSA-N	1	0	369.469	1.804	20	30		FDEDRO
C[C@@H](CCCC#N)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1	ZINC001172493778	961686461	/nfs/dbraw/zinc/68/64/61/961686461.db2.gz	CSTYBWRHGIZUCP-FUHWJXTLSA-N	1	0	360.506	1.909	20	30		FDEDRO
C[C@@H](CCCC#N)[N@@H+]1CC[C@H]2[C@H](CO[C@@H]2CNC(=O)c2cnccn2)C1	ZINC001172499516	961687751	/nfs/dbraw/zinc/68/77/51/961687751.db2.gz	SRQNGOKIPAKYMV-NBOOPKSLSA-N	1	0	357.458	1.626	20	30		FDEDRO
CCCCCCCC[C@@H](CC)[NH2+]CCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC001172505479	961689746	/nfs/dbraw/zinc/68/97/46/961689746.db2.gz	NXGGPLKTCWOWJC-QZIZDEJHSA-N	1	0	361.523	1.949	20	30		FDEDRO
C#CCN(C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1	ZINC000774169329	961797388	/nfs/dbraw/zinc/79/73/88/961797388.db2.gz	SFKXAAGJCFSWHN-IRXDYDNUSA-N	1	0	369.531	1.473	20	30		FDEDRO
C[NH+](C)C[C@@H]1CN([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CCO1	ZINC001172981583	961864866	/nfs/dbraw/zinc/86/48/66/961864866.db2.gz	XDXKSYJNYOSCLZ-HRCADAONSA-N	1	0	352.479	1.540	20	30		FDEDRO
COC[C@]12COC[C@H]1C[N@@H+]([C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C2	ZINC001172986118	961867614	/nfs/dbraw/zinc/86/76/14/961867614.db2.gz	UPZSXMHGEIVRBW-PASDCYSWSA-N	1	0	365.474	1.873	20	30		FDEDRO
CCCCCCCCC[C@@H](CCC)[NH2+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O	ZINC001173284450	962001702	/nfs/dbraw/zinc/00/17/02/962001702.db2.gz	HFMDLGKAZGKXGA-UPGMHYFXSA-N	1	0	361.523	1.685	20	30		FDEDRO
COCCNC(=O)[C@H]1Cn2nccc2C[N@@H+](C2CCC(CC#N)CC2)C1	ZINC001173335957	962008171	/nfs/dbraw/zinc/00/81/71/962008171.db2.gz	IMFDXEHSRZQMMA-AQFXKWCLSA-N	1	0	359.474	1.550	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)C1	ZINC001173362856	962053598	/nfs/dbraw/zinc/05/35/98/962053598.db2.gz	HEGZJFGVUWKSQA-TZIWHRDSSA-N	1	0	369.513	1.966	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+]C3CN(c4cnccn4)C3)CC2)cc1	ZINC001173425640	962134228	/nfs/dbraw/zinc/13/42/28/962134228.db2.gz	ALZUXCYZINGWNU-UHFFFAOYSA-N	1	0	362.437	1.431	20	30		FDEDRO
CC(C)(C)[N@H+](C[C@@H](O)CO)C1CCN(C(=O)c2ccc(C#N)cc2)CC1	ZINC001173430269	962145541	/nfs/dbraw/zinc/14/55/41/962145541.db2.gz	QJCMRTANLPCUAX-GOSISDBHSA-N	1	0	359.470	1.617	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[N@@H+](C2CCC(C)(C#N)CC2)C[C@@H]1C(N)=O	ZINC001173596706	962472798	/nfs/dbraw/zinc/47/27/98/962472798.db2.gz	BDIIDFYQBYIIES-TXKKKEFDSA-N	1	0	350.463	1.865	20	30		FDEDRO
N#Cc1ccc(N2CCC[N@@H+]([C@@H]3CCC[C@@H](n4ncnn4)C3)CC2)nc1	ZINC001173762409	962650724	/nfs/dbraw/zinc/65/07/24/962650724.db2.gz	BORWKBWEZHUPAA-IAGOWNOFSA-N	1	0	352.446	1.636	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CCc2[nH]nc(C(=O)N3CCC[C@H]3C)c2C1	ZINC001183043744	962756083	/nfs/dbraw/zinc/75/60/83/962756083.db2.gz	XVUZGFSSMCZPIR-OAHLLOKOSA-N	1	0	371.485	1.571	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H]2CCc3ncnn32)c1	ZINC001095283267	962767463	/nfs/dbraw/zinc/76/74/63/962767463.db2.gz	LRFOPWVZQKBRLJ-NYTXWWLZSA-N	1	0	351.414	1.000	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@](C)(NC(C)=O)C(C)C)C2	ZINC001110176300	962997353	/nfs/dbraw/zinc/99/73/53/962997353.db2.gz	QRMIUEKLSRNPKZ-VUHPKUFZSA-N	1	0	351.491	1.461	20	30		FDEDRO
C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C(=O)NC)cc1	ZINC001110178044	963016420	/nfs/dbraw/zinc/01/64/20/963016420.db2.gz	QQBDPOHORLKKFC-QYZOEREBSA-N	1	0	371.481	1.860	20	30		FDEDRO
C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC[C@H]1CCCO1	ZINC001110181305	963076569	/nfs/dbraw/zinc/07/65/69/963076569.db2.gz	BZMAZXSWHPXVLL-BDXSIMOUSA-N	1	0	352.475	1.496	20	30		FDEDRO
C#CCC[C@H](O)C[NH2+][C@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1	ZINC001183607637	963138494	/nfs/dbraw/zinc/13/84/94/963138494.db2.gz	ULFSWFWZOAYVRQ-NZSAHSFTSA-N	1	0	360.454	1.776	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=O)NC(C)(C)C	ZINC001175359207	963164129	/nfs/dbraw/zinc/16/41/29/963164129.db2.gz	REBSBTDPTGHDGZ-OAGGEKHMSA-N	1	0	353.507	1.757	20	30		FDEDRO
C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@@H](C#N)Cc2ccc(O)cc2)C1	ZINC001183613285	963190042	/nfs/dbraw/zinc/19/00/42/963190042.db2.gz	SNTBDCDERPIQMZ-IAGOWNOFSA-N	1	0	367.453	1.491	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1nnnn1C	ZINC001175628616	963242797	/nfs/dbraw/zinc/24/27/97/963242797.db2.gz	FIYDCZOTGWDIPL-VYDXJSESSA-N	1	0	364.494	1.346	20	30		FDEDRO
COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(=O)n3ncc(C#N)c3[nH]2)cc1	ZINC001176586922	963464467	/nfs/dbraw/zinc/46/44/67/963464467.db2.gz	GDYNZMUDYOUKTH-LJQANCHMSA-N	1	0	367.409	1.398	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1	ZINC001184389952	963574696	/nfs/dbraw/zinc/57/46/96/963574696.db2.gz	WOGUVVAZOUHCIP-ZACQAIPSSA-N	1	0	351.491	1.736	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C1	ZINC001184462441	963626438	/nfs/dbraw/zinc/62/64/38/963626438.db2.gz	IKGHZJGZAPWBED-LMMKCTJWSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@H](C)c2ccc(Br)cc2)CC1	ZINC000774784368	963706694	/nfs/dbraw/zinc/70/66/94/963706694.db2.gz	MKDZDLQJVRPNRL-CQSZACIVSA-N	1	0	364.287	1.877	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@]12C[C@H]1COC2	ZINC001177323635	963760970	/nfs/dbraw/zinc/76/09/70/963760970.db2.gz	CNXPSDMULKIVRQ-PXNSSMCTSA-N	1	0	363.502	1.324	20	30		FDEDRO
C=CCN(C(=O)C(=O)NCC1(N2CCOCC2)CCCCC1)C(C)C	ZINC000774842511	963859891	/nfs/dbraw/zinc/85/98/91/963859891.db2.gz	NOXVYCPRDPSLME-UHFFFAOYSA-N	1	0	351.491	1.561	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](n2cc(C[NH2+]CCCF)nn2)C1	ZINC001186008060	964251192	/nfs/dbraw/zinc/25/11/92/964251192.db2.gz	NYZFZAHRJPUXHA-BBWFWOEESA-N	1	0	365.453	1.482	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCCCCCC[NH2+]CC(=O)N(C)CC	ZINC001178509514	964262401	/nfs/dbraw/zinc/26/24/01/964262401.db2.gz	PNFRGOKANLZIOG-SJORKVTESA-N	1	0	353.507	1.712	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)C[N@H+]3CC[C@H](O)C3)CC2)cc1Cl	ZINC001186045246	964277668	/nfs/dbraw/zinc/27/76/68/964277668.db2.gz	RJDZKTRGKRJEOD-AWEZNQCLSA-N	1	0	363.845	1.648	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)C2(C(N)=O)CC2)C1	ZINC001186196928	964346884	/nfs/dbraw/zinc/34/68/84/964346884.db2.gz	YKKMWIFBKDUQDM-NVXWUHKLSA-N	1	0	359.445	1.799	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCCc2nc(C)no2)C1	ZINC001186212889	964377738	/nfs/dbraw/zinc/37/77/38/964377738.db2.gz	AQHKSGNDUJTVEO-RYRKJORJSA-N	1	0	362.474	1.872	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC(C)C)C1	ZINC001186213423	964379586	/nfs/dbraw/zinc/37/95/86/964379586.db2.gz	GXIQVMXTYHXGKL-RYRKJORJSA-N	1	0	351.491	1.320	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@H]1OCC[C@H]1CC	ZINC001178744093	964417911	/nfs/dbraw/zinc/41/79/11/964417911.db2.gz	QAXZXYADLQHBLV-ZACQAIPSSA-N	1	0	351.491	1.206	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@H]1CCCN(c2cnn(C)c2)C1=O	ZINC001110379080	964419930	/nfs/dbraw/zinc/41/99/30/964419930.db2.gz	VEEJHQBTVZIGLH-BGTYHANMSA-N	1	0	371.485	1.603	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)CC12CCOCC2	ZINC001186425740	964504097	/nfs/dbraw/zinc/50/40/97/964504097.db2.gz	XAPIUQSMRBSCJH-CEXWTWQISA-N	1	0	360.498	1.527	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccnn2C)CC12CCOCC2	ZINC001186433029	964507971	/nfs/dbraw/zinc/50/79/71/964507971.db2.gz	GNAFGWCDYCWBLK-KZNAEPCWSA-N	1	0	370.497	1.392	20	30		FDEDRO
CCC[C@@H]1C[C@H]1C(=O)N1C[C@@H](C[NH2+]CC#CCOC)C2(C1)CCOCC2	ZINC001186495211	964524587	/nfs/dbraw/zinc/52/45/87/964524587.db2.gz	ZKRGPWKAUWWGLX-GUDVDZBRSA-N	1	0	362.514	1.917	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]1CCCO1	ZINC000773790791	964680551	/nfs/dbraw/zinc/68/05/51/964680551.db2.gz	RGUPHGWZRHBCGB-RBUKOAKNSA-N	1	0	369.465	1.560	20	30		FDEDRO
C=CCOCC[NH2+]CCCCCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC001179101961	964686201	/nfs/dbraw/zinc/68/62/01/964686201.db2.gz	PVZBAUCKEHECPK-OKZBNKHCSA-N	1	0	354.491	1.507	20	30		FDEDRO
N#CCSCC(=O)N1CC[C@H]2C[N@@H+](CCCOCC(F)(F)F)C[C@H]21	ZINC001186940167	964854764	/nfs/dbraw/zinc/85/47/64/964854764.db2.gz	LNBZNMUJGVUFRW-QWHCGFSZSA-N	1	0	365.421	1.745	20	30		FDEDRO
COC(=O)n1ncc(C#N)c1NC(=O)c1ccccc1N1CC[NH+](C)CC1	ZINC001186905108	964861170	/nfs/dbraw/zinc/86/11/70/964861170.db2.gz	HSNUFCKFDVMMCC-UHFFFAOYSA-N	1	0	368.397	1.373	20	30		FDEDRO
CN(C)C(=O)CN(CC[NH+](C)C)c1cc(Br)ccc1C#N	ZINC001186989841	964917375	/nfs/dbraw/zinc/91/73/75/964917375.db2.gz	NEHCNYXRSYNVJX-UHFFFAOYSA-N	1	0	353.264	1.777	20	30		FDEDRO
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH+](CCC(C)(C)O)CC1	ZINC001179585879	964917363	/nfs/dbraw/zinc/91/73/63/964917363.db2.gz	HOLVHZFAZPDDFW-HNNXBMFYSA-N	1	0	367.490	1.208	20	30		FDEDRO
CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N	ZINC001187082118	965003058	/nfs/dbraw/zinc/00/30/58/965003058.db2.gz	OUNJZYYJTYZHKE-GFCCVEGCSA-N	1	0	352.416	1.429	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCOCC)[C@@H]2C1	ZINC001187281538	965160733	/nfs/dbraw/zinc/16/07/33/965160733.db2.gz	UREHBPHCMXMDQE-OKZBNKHCSA-N	1	0	365.518	1.759	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1	ZINC001187326243	965191293	/nfs/dbraw/zinc/19/12/93/965191293.db2.gz	KKRJFEMCRNFJDK-RCCFBDPRSA-N	1	0	362.518	1.038	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](CCOCC(F)(F)C(F)F)C[C@H]21	ZINC001187319784	965240441	/nfs/dbraw/zinc/24/04/41/965240441.db2.gz	DOKXEGUYZZDQJQ-GRYCIOLGSA-N	1	0	351.344	1.596	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(-c4cnn(C)c4)no3)C[C@H]21	ZINC001187320125	965243212	/nfs/dbraw/zinc/24/32/12/965243212.db2.gz	JYPUEKWTGFBBSD-KBXCAEBGSA-N	1	0	371.441	1.310	20	30		FDEDRO
CN1N=C(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCC1=O	ZINC001180446492	965303442	/nfs/dbraw/zinc/30/34/42/965303442.db2.gz	RKFRWJFXZTWLNK-QAQDUYKDSA-N	1	0	367.453	1.765	20	30		FDEDRO
CCOC(=O)CN(CC[NH3+])C(=O)C1CCN(c2ccccc2C#N)CC1	ZINC001180509202	965371795	/nfs/dbraw/zinc/37/17/95/965371795.db2.gz	BHIDTHXWIYLVBF-UHFFFAOYSA-N	1	0	358.442	1.125	20	30		FDEDRO
CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1	ZINC001187466292	965381305	/nfs/dbraw/zinc/38/13/05/965381305.db2.gz	XGDDGBNMWGBOEJ-JLJPHGGASA-N	1	0	357.458	1.288	20	30		FDEDRO
CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1	ZINC001187546375	965488007	/nfs/dbraw/zinc/48/80/07/965488007.db2.gz	ILRNPCSBFWLVQI-QILLFSRXSA-N	1	0	360.458	1.066	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(OC)c(C)c3)C[C@H]21	ZINC001187591211	965509636	/nfs/dbraw/zinc/50/96/36/965509636.db2.gz	GYDXZBWDDFMDEO-ZWKOTPCHSA-N	1	0	369.465	1.176	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)COCc3ccccc3)C[C@H]21	ZINC001187706092	965650576	/nfs/dbraw/zinc/65/05/76/965650576.db2.gz	BXLDSQHWRJEECM-PWRODBHTSA-N	1	0	370.493	1.900	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CC[C@H]2CN(Cc3nc4c(o3)CCCC4)C[C@H]21	ZINC001187763123	965728044	/nfs/dbraw/zinc/72/80/44/965728044.db2.gz	JMNKETWRIKFFRV-NBQZKYEYSA-N	1	0	359.470	1.913	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CC[C@H]2CN(Cc3cn(C)nc3C(F)F)C[C@H]21	ZINC001187763269	965728876	/nfs/dbraw/zinc/72/88/76/965728876.db2.gz	NYLRKKKAKYTKIT-WRSAYESZSA-N	1	0	368.428	1.718	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](CCc3ccc(OC)cc3)C[C@H]21	ZINC001187866068	965812152	/nfs/dbraw/zinc/81/21/52/965812152.db2.gz	YCOYYBTZPZFXDP-XKGZKEIXSA-N	1	0	356.466	1.809	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc4c(c3)COC4)C[C@H]21	ZINC001187882987	965884452	/nfs/dbraw/zinc/88/44/52/965884452.db2.gz	ZFNCRHFDKDPXPE-OXFYSEKESA-N	1	0	354.450	1.788	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnc4cc[nH]cc-4c3=O)[C@@H]2C1	ZINC001188057131	966015142	/nfs/dbraw/zinc/01/51/42/966015142.db2.gz	OFIKDLGALQETIB-KBXCAEBGSA-N	1	0	368.437	1.272	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCOc3cccc(F)c3)[C@@H]2C1	ZINC001188138035	966050992	/nfs/dbraw/zinc/05/09/92/966050992.db2.gz	MAAXFPCZAOQWGR-QFBILLFUSA-N	1	0	360.429	1.777	20	30		FDEDRO
C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ccc4nc(C)oc4c3)[C@@H]2C1	ZINC001188255293	966157992	/nfs/dbraw/zinc/15/79/92/966157992.db2.gz	GNXWXQTYRKELPC-DOTOQJQBSA-N	1	0	366.421	1.032	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)o3)[C@@H]2C1	ZINC001188441183	966290236	/nfs/dbraw/zinc/29/02/36/966290236.db2.gz	ATEBLPQXCZAXQM-QWHCGFSZSA-N	1	0	353.444	1.040	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(n3)OCCO4)[C@@H]2C1	ZINC001188442115	966293531	/nfs/dbraw/zinc/29/35/31/966293531.db2.gz	WIYSUQFVZDKPMY-GOEBONIOSA-N	1	0	359.426	1.202	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cnnn4)cn3)[C@@H]2C1	ZINC001188636957	966483371	/nfs/dbraw/zinc/48/33/71/966483371.db2.gz	YPSXZIQHQHZOFQ-RVKKMQEKSA-N	1	0	367.457	1.558	20	30		FDEDRO
C[NH+]1CCN(c2ccc(-c3noc([C@@]4(C#N)CCCOC4)n3)nc2)CC1	ZINC000867043949	966516327	/nfs/dbraw/zinc/51/63/27/966516327.db2.gz	QNIQRCIXJRGNNM-GOSISDBHSA-N	1	0	354.414	1.455	20	30		FDEDRO
C[C@@H](CC(N)=O)C(=O)N1CC[C@H]2CN(Cc3ccc(F)c(C#N)c3)C[C@H]21	ZINC001188793853	966556984	/nfs/dbraw/zinc/55/69/84/966556984.db2.gz	LZIRADCQIQUSRO-RVSPLBMKSA-N	1	0	358.417	1.242	20	30		FDEDRO
CC#CCCCC(=O)N1CC[C@H]2CN(C[C@H](C)CS(C)(=O)=O)C[C@H]21	ZINC001188866540	966606463	/nfs/dbraw/zinc/60/64/63/966606463.db2.gz	MLXOLTOAXDQOLP-YESZJQIVSA-N	1	0	354.516	1.393	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CN(C)C(=O)c3ccccc3)[C@@H]2C1	ZINC001189026898	966736654	/nfs/dbraw/zinc/73/66/54/966736654.db2.gz	UQJVPFIWXOFHCG-RBUKOAKNSA-N	1	0	371.481	1.494	20	30		FDEDRO
COCC#CCN1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1	ZINC001189127507	966782143	/nfs/dbraw/zinc/78/21/43/966782143.db2.gz	WSDWDSKOIIHIAP-SQGPQFPESA-N	1	0	365.493	1.381	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCOc4ccccc43)[C@@H]2C1	ZINC001189425400	966970613	/nfs/dbraw/zinc/97/06/13/966970613.db2.gz	NHNHZLOWPRPAQC-QXAKKESOSA-N	1	0	354.450	1.735	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](C[N@@H+]1CC[C@@](O)(CC#N)C1)O2	ZINC000852206042	967097110	/nfs/dbraw/zinc/09/71/10/967097110.db2.gz	XJSMMSCOLSMFFQ-PBHICJAKSA-N	1	0	351.447	1.505	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3nc4ccccn4c3F)[C@@H]2C1	ZINC001189640401	967101539	/nfs/dbraw/zinc/10/15/39/967101539.db2.gz	ONPHYNDQHBTOQQ-LSDHHAIUSA-N	1	0	358.417	1.822	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2CCC[C@](C#N)(c3ccccn3)C2)CC1	ZINC000852326631	967224310	/nfs/dbraw/zinc/22/43/10/967224310.db2.gz	OXAVFXSGHBZSIR-HXUWFJFHSA-N	1	0	355.486	1.539	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852453758	967331783	/nfs/dbraw/zinc/33/17/83/967331783.db2.gz	LYIZWKBURJSSPO-DGCLKSJQSA-N	1	0	355.360	1.787	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCn2cccn2)CCOCC1	ZINC001110650861	967415870	/nfs/dbraw/zinc/41/58/70/967415870.db2.gz	BBABVUSPBZAAJY-KURKYZTESA-N	1	0	356.470	1.425	20	30		FDEDRO
C#CCNC(=O)CC[NH+]1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1	ZINC000852604603	967461393	/nfs/dbraw/zinc/46/13/93/967461393.db2.gz	RGOPIOJCXHIWDS-HNNXBMFYSA-N	1	0	373.419	1.639	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc4c[nH]nc4c3)[C@@H]2C1	ZINC001189979462	967474952	/nfs/dbraw/zinc/47/49/52/967474952.db2.gz	VGOSMKSZXVLXKX-PKOBYXMFSA-N	1	0	354.454	1.841	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ccc(C(F)(F)F)n3)[C@@H]2C1	ZINC001190065364	967498513	/nfs/dbraw/zinc/49/85/13/967498513.db2.gz	FGTLDGCSXBHYFF-UONOGXRCSA-N	1	0	370.375	1.084	20	30		FDEDRO
COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[C@@H]2c2ccccc2)C1	ZINC001190221709	967638345	/nfs/dbraw/zinc/63/83/45/967638345.db2.gz	KWLCVCVDILCMLQ-NJDAHSKKSA-N	1	0	370.493	1.989	20	30		FDEDRO
CC(C)(Oc1ccc(Br)cc1)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N	ZINC000852827477	967638812	/nfs/dbraw/zinc/63/88/12/967638812.db2.gz	JNUBNDONXBNPPK-GWCFXTLKSA-N	1	0	352.232	1.834	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)CCC[NH2+]1	ZINC000852840645	967649336	/nfs/dbraw/zinc/64/93/36/967649336.db2.gz	XALILBBOFURAFB-HNNXBMFYSA-N	1	0	365.446	1.065	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1	ZINC000852844075	967650620	/nfs/dbraw/zinc/65/06/20/967650620.db2.gz	PMCLBXXSFXUUQU-UHFFFAOYSA-N	1	0	359.857	1.514	20	30		FDEDRO
C=CC[C@]1(C(=O)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)CCC[NH2+]1	ZINC000852844677	967651341	/nfs/dbraw/zinc/65/13/41/967651341.db2.gz	JFLFFEPKTHVTSS-RDTXWAMCSA-N	1	0	366.845	1.959	20	30		FDEDRO
C=CC[C@@]1(C(=O)NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)CCC[NH2+]1	ZINC000852844676	967651775	/nfs/dbraw/zinc/65/17/75/967651775.db2.gz	JFLFFEPKTHVTSS-KSSFIOAISA-N	1	0	366.845	1.959	20	30		FDEDRO
CC[C@H](NC(=O)C#CC1CC[NH2+]CC1)[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000852871884	967678016	/nfs/dbraw/zinc/67/80/16/967678016.db2.gz	DECFWWUSYFOSSS-SFTDATJTSA-N	1	0	369.509	1.785	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NCc1cc(Cl)ccc1N1CCOCC1	ZINC000852886064	967689338	/nfs/dbraw/zinc/68/93/38/967689338.db2.gz	GLXGSIXVKQSYPX-UHFFFAOYSA-N	1	0	361.873	1.796	20	30		FDEDRO
CN1C(=O)C[C@@H](NC(=O)C#CC2CC[NH2+]CC2)[C@H]1c1ccc(Cl)cc1	ZINC000852890254	967692885	/nfs/dbraw/zinc/69/28/85/967692885.db2.gz	XAYNCAZCKUQODU-VQIMIIECSA-N	1	0	359.857	1.731	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CCN(C(=O)[C@]4(F)CC[NH2+]C4)CC3)n[nH]2)cc1	ZINC000852906841	967698461	/nfs/dbraw/zinc/69/84/61/967698461.db2.gz	UWPUTPGINTVXTG-IBGZPJMESA-N	1	0	368.416	1.299	20	30		FDEDRO
CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC#Cc3ccccc3)[C@@H]2C1	ZINC001190311498	967724448	/nfs/dbraw/zinc/72/44/48/967724448.db2.gz	FQHHWTUEYXLUON-VQTJNVASSA-N	1	0	367.493	1.829	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH]c4ncccc34)[C@@H]2C1	ZINC001190400640	967795133	/nfs/dbraw/zinc/79/51/33/967795133.db2.gz	BWICOSPLLATEGG-MAUKXSAKSA-N	1	0	352.438	1.288	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]2C[N@@H+](CCn3c(C)csc3=O)C[C@H]21	ZINC001190430487	967842179	/nfs/dbraw/zinc/84/21/79/967842179.db2.gz	KJHWZNPBMCOOQO-JKSUJKDBSA-N	1	0	365.499	1.344	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]2C[N@@H+](CCOCC(F)(F)F)C[C@H]21	ZINC001190441577	967854125	/nfs/dbraw/zinc/85/41/25/967854125.db2.gz	WNGLHOYATVWXBG-UONOGXRCSA-N	1	0	350.381	1.691	20	30		FDEDRO
C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1	ZINC001190480598	967860317	/nfs/dbraw/zinc/86/03/17/967860317.db2.gz	FKHNAWBPSMJSST-ZWKOTPCHSA-N	1	0	362.518	1.087	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)Cc3ccccc3)[C@@H]2C1	ZINC001190486615	967868278	/nfs/dbraw/zinc/86/82/78/967868278.db2.gz	IQYLPJXCZQGIHQ-VQTJNVASSA-N	1	0	355.482	1.301	20	30		FDEDRO
COc1ccccc1CN(C)C(=O)CON=C(N)C[N@@H+]1CCCC[C@@H]1C	ZINC000111179041	967930295	/nfs/dbraw/zinc/93/02/95/967930295.db2.gz	XHVHUPVNPSTYEH-HNNXBMFYSA-N	1	0	362.474	1.817	20	30		FDEDRO
C#CC[C@H]([NH2+]CC(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccccc1	ZINC000775398076	967942794	/nfs/dbraw/zinc/94/27/94/967942794.db2.gz	FIZWRWPBCVUBSQ-KRWDZBQOSA-N	1	0	357.435	1.627	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CNC(=O)C(CC)CC)[C@@H]2C1	ZINC001190618417	967962458	/nfs/dbraw/zinc/96/24/58/967962458.db2.gz	UWZLHAUHMJDBKJ-DLBZAZTESA-N	1	0	351.491	1.274	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2	ZINC001110667775	967992035	/nfs/dbraw/zinc/99/20/35/967992035.db2.gz	KHVBTKPKOSEPEI-FTEYMNFISA-N	1	0	374.529	1.249	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(CC(F)(F)F)c1)C2	ZINC001110669469	968049239	/nfs/dbraw/zinc/04/92/39/968049239.db2.gz	KYKVXENUAUXCJG-KFWWJZLASA-N	1	0	372.391	1.983	20	30		FDEDRO
C=CCC1(S(=O)(=O)N2CCn3cc(C[NH+]4CCCC4)nc3C2)CC1	ZINC001190783910	968088777	/nfs/dbraw/zinc/08/87/77/968088777.db2.gz	OLRCBEORYYZARG-UHFFFAOYSA-N	1	0	350.488	1.733	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)CN(C[N@@H+]3CC[C@@H]4COC[C@H]4C3)C2=O)cc1	ZINC000853588744	968153045	/nfs/dbraw/zinc/15/30/45/968153045.db2.gz	RBIGCINMXFNYCG-IAGOWNOFSA-N	1	0	354.410	1.248	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000853739048	968282600	/nfs/dbraw/zinc/28/26/00/968282600.db2.gz	ATMVVJRALLBAJZ-SFHVURJKSA-N	1	0	359.470	1.951	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@](C)(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1	ZINC000957686898	1013796461	/nfs/dbraw/zinc/79/64/61/1013796461.db2.gz	XBNCQIAHACLZNA-WIRSXHRWSA-N	1	0	373.497	1.006	20	30		FDEDRO
Cn1cc(-c2cc3c(nn2)CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C3)cn1	ZINC000854127055	968617671	/nfs/dbraw/zinc/61/76/71/968617671.db2.gz	MAIADQNFCBRTIE-HXUWFJFHSA-N	1	0	360.421	1.840	20	30		FDEDRO
COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)[C@H](C)CSC)C2)cc1C#N	ZINC001191814368	968764540	/nfs/dbraw/zinc/76/45/40/968764540.db2.gz	DOXRTQISVJJUOG-DAXOMENPSA-N	1	0	363.483	1.227	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2cnc(-c3ccccc3)s2)C[C@H]1O	ZINC001191880531	968831693	/nfs/dbraw/zinc/83/16/93/968831693.db2.gz	ATVVOBNIQKLCQD-DAXOMENPSA-N	1	0	356.451	1.631	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H](CNc2ccnc(C#N)n2)C2CCCC2)CC[N@@H+]1C	ZINC001110684009	968838949	/nfs/dbraw/zinc/83/89/49/968838949.db2.gz	SUSJXVIBWQAAFY-FVQBIDKESA-N	1	0	356.474	1.197	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CCCOCc3ccccc3)C[C@H]2O)c1	ZINC001192038384	968919767	/nfs/dbraw/zinc/91/97/67/968919767.db2.gz	UTTVJVRFEZKBTM-RTBURBONSA-N	1	0	368.437	1.268	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@H+](CC[C@H](C)OCc2ccccc2)C[C@H]1O	ZINC001192503737	969145399	/nfs/dbraw/zinc/14/53/99/969145399.db2.gz	JJUCBLPTCIQCIC-DFQSSKMNSA-N	1	0	358.482	1.947	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCCOc2ccc(F)cc2)C[C@H]1O	ZINC001192548059	969158918	/nfs/dbraw/zinc/15/89/18/969158918.db2.gz	YBFLBNWNHVDHOF-LMMKCTJWSA-N	1	0	366.433	1.083	20	30		FDEDRO
CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001192788905	969293135	/nfs/dbraw/zinc/29/31/35/969293135.db2.gz	QIPDMCQZCWGAGY-ZIFCJYIRSA-N	1	0	354.454	1.157	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](N(C)CC(=O)N(CC)C2CC2)C1	ZINC001192795171	969302123	/nfs/dbraw/zinc/30/21/23/969302123.db2.gz	UTHCMYFDEWABCX-LNLFQRSKSA-N	1	0	363.502	1.511	20	30		FDEDRO
CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)NC1(C#N)CC[NH+](C)CC1	ZINC001192799191	969306296	/nfs/dbraw/zinc/30/62/96/969306296.db2.gz	HJPCFPLYFVNTGQ-MRXNPFEDSA-N	1	0	358.442	1.448	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@H+](CCCCCOC)C[C@H]1O	ZINC001192925285	969383163	/nfs/dbraw/zinc/38/31/63/969383163.db2.gz	YSNXBMLZFZLGOK-QZTJIDSGSA-N	1	0	356.507	1.727	20	30		FDEDRO
N#Cc1ccncc1C(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12	ZINC001192971932	969412030	/nfs/dbraw/zinc/41/20/30/969412030.db2.gz	YWAMWSSDUIFJAM-WDYCEAGBSA-N	1	0	363.421	1.762	20	30		FDEDRO
N#Cc1ccncc1C(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1	ZINC001192974189	969413156	/nfs/dbraw/zinc/41/31/56/969413156.db2.gz	NCHJEBBQRNUVBH-UHFFFAOYSA-N	1	0	351.410	1.320	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1CN([C@H](C)C(=O)NC(CC)CC)C[C@H]1O	ZINC001193240905	969569441	/nfs/dbraw/zinc/56/94/41/969569441.db2.gz	MMRKMPVIXAJIQC-ZTFGCOKTSA-N	1	0	365.518	1.609	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1O)OCC	ZINC001193422462	969698365	/nfs/dbraw/zinc/69/83/65/969698365.db2.gz	RTVHYRRBNKMIOH-KZNAEPCWSA-N	1	0	364.490	1.033	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2ccccn2)C1	ZINC001193611897	969765624	/nfs/dbraw/zinc/76/56/24/969765624.db2.gz	HXMCBQKNJHGICG-KBRIMQKVSA-N	1	0	355.442	1.601	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](CCCc3ccccc3OC)C[C@H]2O)CCC1	ZINC001193685268	969811580	/nfs/dbraw/zinc/81/15/80/969811580.db2.gz	JINYRBMZXVHKIX-RTBURBONSA-N	1	0	370.493	1.983	20	30		FDEDRO
C=C[C@@H]1C[C@@]1(NC(=O)c1cncc(N2CC[NH+](C)CC2)c1)C(=O)OCC	ZINC001193951086	969953057	/nfs/dbraw/zinc/95/30/57/969953057.db2.gz	BSKJFGWBTUHWRC-BEFAXECRSA-N	1	0	358.442	1.071	20	30		FDEDRO
CC(C)N(C)Cc1nnc2n1CCCN(C(=O)c1cncc(C#N)c1)C2	ZINC001194108215	969995239	/nfs/dbraw/zinc/99/52/39/969995239.db2.gz	NRMNJEYXKWUNJK-UHFFFAOYSA-N	1	0	353.430	1.431	20	30		FDEDRO
CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)c2cncc(C#N)c2)CC1	ZINC001194107962	969995371	/nfs/dbraw/zinc/99/53/71/969995371.db2.gz	IUJYGONHFRHDLN-UHFFFAOYSA-N	1	0	355.442	1.112	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC3(CCC3)[C@@](F)(C(=O)OCC)C2)CC1	ZINC000855244808	970237851	/nfs/dbraw/zinc/23/78/51/970237851.db2.gz	WEJOHXBCKSHYLS-IBGZPJMESA-N	1	0	350.434	1.616	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COc2c(C)occc2=O)C1	ZINC001194593960	970267557	/nfs/dbraw/zinc/26/75/57/970267557.db2.gz	OKYYATKSNALHBK-NVXWUHKLSA-N	1	0	364.442	1.235	20	30		FDEDRO
COCCn1cnc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1	ZINC001194675164	970314288	/nfs/dbraw/zinc/31/42/88/970314288.db2.gz	GPRYUFKOFPQDCV-UHFFFAOYSA-N	1	0	367.453	1.818	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(Cl)s1	ZINC001110461681	970425509	/nfs/dbraw/zinc/42/55/09/970425509.db2.gz	DIEJQQYUGJNQJG-BNOWGMLFSA-N	1	0	365.886	1.763	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C)cc(C)c1	ZINC001110461743	970426328	/nfs/dbraw/zinc/42/63/28/970426328.db2.gz	GUGAAHVFTMBMOX-QRVBRYPASA-N	1	0	353.466	1.664	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](OCC)C2CCOCC2)C1	ZINC001195037821	970629402	/nfs/dbraw/zinc/62/94/02/970629402.db2.gz	ONBRWWDWQAHQCR-GUDVDZBRSA-N	1	0	370.534	1.950	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1O	ZINC001195020135	970647211	/nfs/dbraw/zinc/64/72/11/970647211.db2.gz	GNLRECDQSIEUGT-GGPKGHCWSA-N	1	0	368.518	1.583	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1C	ZINC001110465481	970660448	/nfs/dbraw/zinc/66/04/48/970660448.db2.gz	FPZSMNDBEYUKDK-KURKYZTESA-N	1	0	357.429	1.495	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOc1ccc(F)cc1	ZINC001110466018	970715537	/nfs/dbraw/zinc/71/55/37/970715537.db2.gz	FQGHBQMTFCWQFK-NXHRZFHOSA-N	1	0	373.428	1.066	20	30		FDEDRO
C#Cc1cccc(NC(=O)NC(=O)C[NH2+]C(C)(C)C(=O)N2CCCC2)c1	ZINC001197901351	972532672	/nfs/dbraw/zinc/53/26/72/972532672.db2.gz	HYNPJBJIKNGIIU-UHFFFAOYSA-N	1	0	356.426	1.307	20	30		FDEDRO
CO[C@@H](C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1O)c1ccccc1	ZINC001197956130	972596323	/nfs/dbraw/zinc/59/63/23/972596323.db2.gz	VUFNMGOSUYXFLS-VAMGGRTRSA-N	1	0	365.433	1.607	20	30		FDEDRO
C[NH+](C)CCCNC(=S)NN=C1CC[C@H](NC(=O)OC(C)(C)C)C1	ZINC000863093082	972664872	/nfs/dbraw/zinc/66/48/72/972664872.db2.gz	WDIKNYIUERWOTM-LBPRGKRZSA-N	1	0	357.524	1.835	20	30		FDEDRO
CC(=NNc1cc[nH+]c(C)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000863159458	972687901	/nfs/dbraw/zinc/68/79/01/972687901.db2.gz	RXHSVSQHKNFVTH-UHFFFAOYSA-N	1	0	374.466	1.669	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCCCC(=O)N2)C1	ZINC001198128214	972768224	/nfs/dbraw/zinc/76/82/24/972768224.db2.gz	YKBIYPMVUKODCJ-GVDBMIGSSA-N	1	0	351.491	1.343	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@H+](C[C@H]3CC(C)(C)CO3)C[C@H]2O)CCOCC1	ZINC001198239706	972928373	/nfs/dbraw/zinc/92/83/73/972928373.db2.gz	RHYUXXBWTWKIHQ-BRWVUGGUSA-N	1	0	366.502	1.336	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C	ZINC000645114395	1014073058	/nfs/dbraw/zinc/07/30/58/1014073058.db2.gz	BSTFNCBLKMEEBU-CVEARBPZSA-N	1	0	363.458	1.380	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]CC[S@@](=O)Cc2ccccc2)CCOCC1	ZINC000863552156	973008961	/nfs/dbraw/zinc/00/89/61/973008961.db2.gz	KESYLJYIDCHZMS-BXKMTCNYSA-N	1	0	350.484	1.596	20	30		FDEDRO
COc1ccc(C2=NO[C@H](C[NH2+]C[C@H](O)CC3(C#N)CCOCC3)C2)cc1	ZINC000863558059	973015610	/nfs/dbraw/zinc/01/56/10/973015610.db2.gz	VIHFJMQKJSPENE-AEFFLSMTSA-N	1	0	373.453	1.849	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH2+]C[C@H](O)c1ccc(C#N)cc1	ZINC000863581277	973032299	/nfs/dbraw/zinc/03/22/99/973032299.db2.gz	PKMGAPLULCOTOX-IRXDYDNUSA-N	1	0	361.442	1.817	20	30		FDEDRO
CCS(=O)(=O)NC1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1	ZINC001198479276	973187198	/nfs/dbraw/zinc/18/71/98/973187198.db2.gz	OEMDUNMBYYXVBZ-UHFFFAOYSA-N	1	0	364.471	1.291	20	30		FDEDRO
N#Cc1ccc(N2CCCN(C(=O)c3cncn3-c3cc[nH+]cc3)CC2)nc1	ZINC001198549325	973278828	/nfs/dbraw/zinc/27/88/28/973278828.db2.gz	OCUIIJFLLJSSQA-UHFFFAOYSA-N	1	0	373.420	1.886	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2csc3nccn23)C1	ZINC001198678552	973400722	/nfs/dbraw/zinc/40/07/22/973400722.db2.gz	ADPCELLPOQYEHP-HZPDHXFCSA-N	1	0	362.499	1.846	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCc3ccccc32)C1	ZINC001198722075	973418731	/nfs/dbraw/zinc/41/87/31/973418731.db2.gz	IEKDKCMSMUQRPN-UYAOXDASSA-N	1	0	357.498	1.957	20	30		FDEDRO
Cn1c(CC#N)nn(CN2CC[NH+](CCc3cccs3)CC2)c1=S	ZINC000794622312	973484657	/nfs/dbraw/zinc/48/46/57/973484657.db2.gz	BKUYFWUITFDLMK-UHFFFAOYSA-N	1	0	362.528	1.896	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(CNC(C)=O)c2)C1	ZINC001198799052	973541235	/nfs/dbraw/zinc/54/12/35/973541235.db2.gz	DLYDPGUTRAGIBK-NIKGAXFTSA-N	1	0	359.470	1.452	20	30		FDEDRO
CN1CC[N@H+](CCCNC(=O)[C@@]2(C#N)CCCOC2)[C@H](c2ccccc2)C1	ZINC000864829874	973868864	/nfs/dbraw/zinc/86/88/64/973868864.db2.gz	VGIRISYIIKLTRX-PZJWPPBQSA-N	1	0	370.497	1.802	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@]2(C#N)CCCOC2)CC1	ZINC000864866865	973905947	/nfs/dbraw/zinc/90/59/47/973905947.db2.gz	YDNDZJXIWOPQCY-NRFANRHFSA-N	1	0	370.497	1.761	20	30		FDEDRO
CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(CC#Cc2cccc(Cl)c2)C[C@H]1O	ZINC001199104954	973920452	/nfs/dbraw/zinc/92/04/52/973920452.db2.gz	XRRJJKRQUMLAPW-QZTJIDSGSA-N	1	0	363.889	1.193	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000466773626	974006292	/nfs/dbraw/zinc/00/62/92/974006292.db2.gz	CHIDWDONJWKNID-KEYYUXOJSA-N	1	0	369.473	1.051	20	30		FDEDRO
C=C(Br)CNC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C	ZINC000865023789	974021926	/nfs/dbraw/zinc/02/19/26/974021926.db2.gz	NSCWMISGNFIDAY-JTQLQIEISA-N	1	0	350.257	1.466	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCCOc2ccc(F)cc2)C[C@H]1O	ZINC001199331185	974197503	/nfs/dbraw/zinc/19/75/03/974197503.db2.gz	LCMDVZLZHVOEAM-BMGDILEWSA-N	1	0	366.433	1.347	20	30		FDEDRO
CO[C@@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000775972541	974319485	/nfs/dbraw/zinc/31/94/85/974319485.db2.gz	LMWFXXYMBYFHST-QZTJIDSGSA-N	1	0	360.433	1.255	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O	ZINC000865481169	974320722	/nfs/dbraw/zinc/32/07/22/974320722.db2.gz	MUHSIVDZABNPFT-KXBFYZLASA-N	1	0	355.442	1.434	20	30		FDEDRO
CN(C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2)c1ccccc1	ZINC001110539341	974441378	/nfs/dbraw/zinc/44/13/78/974441378.db2.gz	OSLASSYCWMLWGW-QRVBRYPASA-N	1	0	351.450	1.784	20	30		FDEDRO
CNS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(OC)c(C#N)c2)cc1	ZINC000865819643	974519700	/nfs/dbraw/zinc/51/97/00/974519700.db2.gz	YPKSALFCRQVAQQ-UHFFFAOYSA-N	1	0	359.451	1.807	20	30		FDEDRO
CN(C)S(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)(C)C)C2	ZINC001110543742	974583812	/nfs/dbraw/zinc/58/38/12/974583812.db2.gz	GSIHBKBHYBLKNW-OAGGEKHMSA-N	1	0	369.531	1.039	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C(=O)NC)cc1	ZINC001110546456	974640045	/nfs/dbraw/zinc/64/00/45/974640045.db2.gz	XWTJUSYEFHZCLJ-AXUOBQJMSA-N	1	0	369.465	1.306	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC[C@H]1CCCCO1	ZINC001110551052	974734011	/nfs/dbraw/zinc/73/40/11/974734011.db2.gz	MVSSTGFVIGVHLH-MKXGPGLRSA-N	1	0	364.486	1.334	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOc1cccc(F)c1	ZINC001110552261	974755804	/nfs/dbraw/zinc/75/58/04/974755804.db2.gz	SHJNYKBAWRIOAN-WLWJZTKJSA-N	1	0	360.429	1.964	20	30		FDEDRO
N#Cc1cc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cs1	ZINC001200411943	974761984	/nfs/dbraw/zinc/76/19/84/974761984.db2.gz	KIKGBNZMEYVQHC-UHFFFAOYSA-N	1	0	366.424	1.596	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCOCC(C)C)C1	ZINC001200528710	974807973	/nfs/dbraw/zinc/80/79/73/974807973.db2.gz	MYRBTDBAVFAVNF-OTWHNJEPSA-N	1	0	368.518	1.847	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]CCCc2nc(C)no2)CC1	ZINC001200627745	974847549	/nfs/dbraw/zinc/84/75/49/974847549.db2.gz	GOZPCWGMOYBQJE-SJORKVTESA-N	1	0	362.474	1.872	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCCO[C@H]2C(C)C)CC1	ZINC001200636184	974853009	/nfs/dbraw/zinc/85/30/09/974853009.db2.gz	GJVQDWBSJVYINK-SZMVWBNQSA-N	1	0	363.502	1.156	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]C2CCN(C(=O)[C@]34C[C@H]3COC4)CC2)c1	ZINC001200652058	974873308	/nfs/dbraw/zinc/87/33/08/974873308.db2.gz	YEGFVWCBGOLBHA-KKSFZXQISA-N	1	0	367.449	1.224	20	30		FDEDRO
CCCCCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)CCCO1	ZINC001200713905	974879240	/nfs/dbraw/zinc/87/92/40/974879240.db2.gz	QHWQAPKQKCFPCF-BZSNNMDCSA-N	1	0	356.507	1.968	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COC	ZINC001110560142	974952711	/nfs/dbraw/zinc/95/27/11/974952711.db2.gz	ZPVXFFKNEJOKJM-XDNAFOTISA-N	1	0	354.491	1.478	20	30		FDEDRO
C#C[C@H](NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)[C@H]1CCCO1	ZINC000776176589	975050856	/nfs/dbraw/zinc/05/08/56/975050856.db2.gz	MWJYCYJUBBSCJW-HSALFYBXSA-N	1	0	371.481	1.623	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)CC(C)(C)C1=O)C2	ZINC001110568513	975086035	/nfs/dbraw/zinc/08/60/35/975086035.db2.gz	WBQRSJJAXUGZME-JJXSEGSLSA-N	1	0	361.486	1.848	20	30		FDEDRO
C=CCS(=O)(=O)CCNCc1nc(C(F)(F)F)n2c1CCCC2	ZINC001201618700	975099938	/nfs/dbraw/zinc/09/99/38/975099938.db2.gz	SUQYPHVHQWVPPE-UHFFFAOYSA-N	1	0	351.394	1.929	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C1CCN(C(=O)C[C@@H]2C[C@H]2Cc2ccccc2)CC1	ZINC001201743070	975138393	/nfs/dbraw/zinc/13/83/93/975138393.db2.gz	AZANEIXRGJWKPS-MOPGFXCFSA-N	1	0	367.493	1.585	20	30		FDEDRO
CCCCCCCCCCS(=O)(=O)NCCC[NH+](CCO)CCO	ZINC001201838221	975172881	/nfs/dbraw/zinc/17/28/81/975172881.db2.gz	ISMAIBPSODKWFB-UHFFFAOYSA-N	1	0	366.568	1.723	20	30		FDEDRO
C#C[C@H](NC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)[C@H]1CCCO1	ZINC000776229281	975211528	/nfs/dbraw/zinc/21/15/28/975211528.db2.gz	FBBHSFOUVQQIFC-ZSYWTGECSA-N	1	0	362.518	1.367	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1ccncc1)C2	ZINC001110575623	975257942	/nfs/dbraw/zinc/25/79/42/975257942.db2.gz	WFKPRQAJIYYVKM-ILOCAZANSA-N	1	0	354.454	1.209	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2CCC)CC1	ZINC001202399184	975302630	/nfs/dbraw/zinc/30/26/30/975302630.db2.gz	SGCYAXYACFHUFU-SQWLQELKSA-N	1	0	364.490	1.404	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000847406847	975586602	/nfs/dbraw/zinc/58/66/02/975586602.db2.gz	AOBDCXOHLIOCCY-IBGZPJMESA-N	1	0	353.466	1.497	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cncc(C(=O)OC(C)(C)C)c1	ZINC000847528853	975784278	/nfs/dbraw/zinc/78/42/78/975784278.db2.gz	XTPUEMCLFMNLIF-UHFFFAOYSA-N	1	0	374.441	1.047	20	30		FDEDRO
N#CC1(COC(=O)CN2CCOCC2)CC[NH+](Cc2ccccc2)CC1	ZINC000847747686	976018821	/nfs/dbraw/zinc/01/88/21/976018821.db2.gz	NCJGKXCLWIZILV-UHFFFAOYSA-N	1	0	357.454	1.668	20	30		FDEDRO
CC(=O)N1CC(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1	ZINC000847748052	976019487	/nfs/dbraw/zinc/01/94/87/976019487.db2.gz	WQLPQRNSHQAQOY-UHFFFAOYSA-N	1	0	355.438	1.814	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccsc1C#N	ZINC000867581121	976419481	/nfs/dbraw/zinc/41/94/81/976419481.db2.gz	ISQXFHVFKUQLTL-UHFFFAOYSA-N	1	0	357.501	1.599	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cccc(CC#N)c1	ZINC000867582338	976423404	/nfs/dbraw/zinc/42/34/04/976423404.db2.gz	UKXYTXBHQGISPW-UHFFFAOYSA-N	1	0	365.499	1.732	20	30		FDEDRO
COC(=O)c1ccc2c(c1)[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)CCC2	ZINC000848534182	976893486	/nfs/dbraw/zinc/89/34/86/976893486.db2.gz	NRZXXJYGGFWFRI-NXDJFEHLSA-N	1	0	369.421	1.967	20	30		FDEDRO
C[C@]1(c2cccc(-c3noc([C@@H](N)CCCCC#N)n3)c2)NC(=O)NC1=O	ZINC000848626989	976961175	/nfs/dbraw/zinc/96/11/75/976961175.db2.gz	VVBYCAQBBSHEQI-SCLBCKFNSA-N	1	0	368.397	1.875	20	30		FDEDRO
COC(=O)N1CCC([C@H](C)NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000867976099	977160313	/nfs/dbraw/zinc/16/03/13/977160313.db2.gz	UPQCUVATIBXERU-UGSOOPFHSA-N	1	0	370.453	1.728	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1C#N	ZINC000848937319	977261211	/nfs/dbraw/zinc/26/12/11/977261211.db2.gz	NNCORHRUCVIRIL-DLBZAZTESA-N	1	0	370.453	1.316	20	30		FDEDRO
CCNC(NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)=[NH+]CC	ZINC000849002372	977288162	/nfs/dbraw/zinc/28/81/62/977288162.db2.gz	IFHQQEGLQLDXNH-LJQANCHMSA-N	1	0	357.458	1.987	20	30		FDEDRO
C=C(C)CNC(=[NH2+])NCCNS(=O)(=O)c1cccc(Cl)c1Cl	ZINC000849052988	977294475	/nfs/dbraw/zinc/29/44/75/977294475.db2.gz	UDOPAIJGYFNTCL-UHFFFAOYSA-N	1	0	365.286	1.962	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1	ZINC000868268746	977424030	/nfs/dbraw/zinc/42/40/30/977424030.db2.gz	NSZSZQLBQQAIEM-CQSZACIVSA-N	1	0	359.474	1.948	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000645473673	1014415160	/nfs/dbraw/zinc/41/51/60/1014415160.db2.gz	VXCCFKMIQVTUBM-MOPGFXCFSA-N	1	0	359.470	1.351	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1	ZINC000868509983	977725595	/nfs/dbraw/zinc/72/55/95/977725595.db2.gz	IGRFSSQCESODLP-DNVCBOLYSA-N	1	0	355.486	1.351	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccn(CCC#N)n2)[C@@H](c2cnn(C)c2)C1	ZINC000849549598	977730625	/nfs/dbraw/zinc/73/06/25/977730625.db2.gz	UBTPKEQVGFRAGT-DLBZAZTESA-N	1	0	369.473	1.983	20	30		FDEDRO
Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2n[nH]c(C3CC3)c2C#N)cn1	ZINC000849612350	977848652	/nfs/dbraw/zinc/84/86/52/977848652.db2.gz	HTDFRTGVJGLVEY-DZGCQCFKSA-N	1	0	353.430	1.566	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCc1ccnc(N2CCSCC2)c1	ZINC000868653333	977870407	/nfs/dbraw/zinc/87/04/07/977870407.db2.gz	SASPZPUCLPGCIV-UHFFFAOYSA-N	1	0	361.515	1.389	20	30		FDEDRO
C=CCCn1cc(C[NH2+]CC[C@](O)(c2nccn2C)C(F)(F)F)nn1	ZINC000850070718	978140338	/nfs/dbraw/zinc/14/03/38/978140338.db2.gz	UXIKGACODMRLNA-AWEZNQCLSA-N	1	0	358.368	1.518	20	30		FDEDRO
O=C(NCC[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)C1N=CC=CC1=O	ZINC000850137847	978199313	/nfs/dbraw/zinc/19/93/13/978199313.db2.gz	XOXVZQOIVWJZFZ-OZNQOIHVSA-N	1	0	357.410	1.470	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN(C)C(=O)COC)C2	ZINC001110623624	978595362	/nfs/dbraw/zinc/59/53/62/978595362.db2.gz	MYEKMQXQNVGJEG-ZACQAIPSSA-N	1	0	353.507	1.783	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1	ZINC000850686006	978608658	/nfs/dbraw/zinc/60/86/58/978608658.db2.gz	NKOOBWYDWIIGJU-QGZVFWFLSA-N	1	0	371.437	1.007	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC	ZINC000645547029	1014520789	/nfs/dbraw/zinc/52/07/89/1014520789.db2.gz	OXHZZIXPEFQIBM-HSALFYBXSA-N	1	0	373.497	1.597	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC000958250571	1014530570	/nfs/dbraw/zinc/53/05/70/1014530570.db2.gz	XSOHBLCRUDNMPC-MLGOLLRUSA-N	1	0	369.425	1.431	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(c2ccncc2C#N)CC1	ZINC001110630164	978875745	/nfs/dbraw/zinc/87/57/45/978875745.db2.gz	OPEJKDQAXYVZKL-VQIMIIECSA-N	1	0	365.481	1.724	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(c2nccc(C)n2)CC1	ZINC001110630155	978875961	/nfs/dbraw/zinc/87/59/61/978875961.db2.gz	OIICCIXPPIJMNS-SJLPKXTDSA-N	1	0	355.486	1.556	20	30		FDEDRO
COC(=O)[C@]12CCC[C@H]1C[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)C2	ZINC000880325209	979097552	/nfs/dbraw/zinc/09/75/52/979097552.db2.gz	JZROHWAYEVVPDF-QKLQHJQFSA-N	1	0	358.438	1.767	20	30		FDEDRO
CC(C)(C)OCCC[NH+]1CCN(CC(=O)NCc2cccc(C#N)c2)CC1	ZINC000880411246	979170769	/nfs/dbraw/zinc/17/07/69/979170769.db2.gz	BCOFDWDTHKNJCQ-UHFFFAOYSA-N	1	0	372.513	1.997	20	30		FDEDRO
C#CCC1(O)CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)CC1	ZINC000880479842	979220320	/nfs/dbraw/zinc/22/03/20/979220320.db2.gz	ZSVNSIKFCNJLAR-HZPDHXFCSA-N	1	0	372.465	1.874	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH+]3CCC4(CC3)COCCO4)C2=O)cc1	ZINC000880546230	979289988	/nfs/dbraw/zinc/28/99/88/979289988.db2.gz	PXGRMNRFAHJRSL-SFHVURJKSA-N	1	0	355.438	1.935	20	30		FDEDRO
COc1ccc(C[N@H+](CCO)C[C@H](O)COc2ccccc2C#N)cc1	ZINC000880571801	979316631	/nfs/dbraw/zinc/31/66/31/979316631.db2.gz	BZDYHILMHGFQPM-SFHVURJKSA-N	1	0	356.422	1.801	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([N@@H+]3C[C@@H](O)CC4(CCOCC4)C3)C2=O)cc1	ZINC000880582316	979325213	/nfs/dbraw/zinc/32/52/13/979325213.db2.gz	MVPBVWBBEPWIRF-RBUKOAKNSA-N	1	0	369.465	1.917	20	30		FDEDRO
CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000852075251	979330195	/nfs/dbraw/zinc/33/01/95/979330195.db2.gz	JOCJGQMXBRBNHL-GDBMZVCRSA-N	1	0	369.358	1.991	20	30		FDEDRO
C#C[C@](C)(CC)[NH2+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098144	979349868	/nfs/dbraw/zinc/34/98/68/979349868.db2.gz	GGTOZIUIQILZCT-FXAWDEMLSA-N	1	0	355.438	1.760	20	30		FDEDRO
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCN([C@H]3CCOC3)CC2)c1	ZINC000852107842	979354656	/nfs/dbraw/zinc/35/46/56/979354656.db2.gz	XWDSFZAPLOCDGQ-ROUUACIJSA-N	1	0	372.469	1.984	20	30		FDEDRO
C[C@H](CNC(=O)Nc1cc(C#N)c(F)cc1F)C[NH+]1CCN(C)CC1	ZINC000880716045	979405131	/nfs/dbraw/zinc/40/51/31/979405131.db2.gz	NAVMUZQGKZUQAC-GFCCVEGCSA-N	1	0	351.401	1.841	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(C(=O)Nc3cccc(CC#N)n3)CC2)c1	ZINC000881154437	979719697	/nfs/dbraw/zinc/71/96/97/979719697.db2.gz	UFWGPKNQACUHCV-UHFFFAOYSA-N	1	0	352.398	1.905	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNS(=O)(=O)c3cccc(C#N)c3)cc2)CC1	ZINC000882663451	980803830	/nfs/dbraw/zinc/80/38/30/980803830.db2.gz	YEYSKCYNCAUTCP-UHFFFAOYSA-N	1	0	370.478	1.789	20	30		FDEDRO
N#Cc1ccccc1/C=C\C(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1	ZINC000857993170	981788350	/nfs/dbraw/zinc/78/83/50/981788350.db2.gz	OOKUDEQONAZJEG-YVMONPNESA-N	1	0	353.422	1.858	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2	ZINC001110746434	982034199	/nfs/dbraw/zinc/03/41/99/982034199.db2.gz	MYYXJMZRNAIWPM-QRVBRYPASA-N	1	0	356.470	1.279	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCc2ccccc21)N1CCN(c2ncccn2)CC1	ZINC000131470367	982063171	/nfs/dbraw/zinc/06/31/71/982063171.db2.gz	CMVIPUAGFJNQFI-KRWDZBQOSA-N	1	0	350.470	1.904	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CCCC[N@H+](C)C2)n1	ZINC000858766608	982275726	/nfs/dbraw/zinc/27/57/26/982275726.db2.gz	PMEUYLUSKQLLTR-KRWDZBQOSA-N	1	0	361.490	1.406	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)ccc1C1CC1	ZINC000883608643	982305165	/nfs/dbraw/zinc/30/51/65/982305165.db2.gz	CWUXKNCYTMATMH-HXUWFJFHSA-N	1	0	352.438	1.976	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)c1	ZINC000883622590	982318744	/nfs/dbraw/zinc/31/87/44/982318744.db2.gz	UTMPOCBHPIWJEU-UHFFFAOYSA-N	1	0	372.450	1.690	20	30		FDEDRO
C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1	ZINC000883645909	982342068	/nfs/dbraw/zinc/34/20/68/982342068.db2.gz	AVWLRJSZBGTLIF-MRXNPFEDSA-N	1	0	369.469	1.066	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000859024001	982464140	/nfs/dbraw/zinc/46/41/40/982464140.db2.gz	AVMOEIOPLPULKU-NXHRZFHOSA-N	1	0	351.491	1.482	20	30		FDEDRO
CCOC(=O)N(C)C1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1	ZINC000859116804	982544740	/nfs/dbraw/zinc/54/47/40/982544740.db2.gz	YHKZYSPVPXOQRP-INIZCTEOSA-N	1	0	353.463	1.610	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)N[C@H](C)C(C)C)CC1	ZINC001202559435	982547456	/nfs/dbraw/zinc/54/74/56/982547456.db2.gz	CSWZZUGGYXJOPT-OIISXLGYSA-N	1	0	351.491	1.319	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O	ZINC000859133979	982565212	/nfs/dbraw/zinc/56/52/12/982565212.db2.gz	ARTPRCUPXPMEDA-QZTJIDSGSA-N	1	0	357.454	1.775	20	30		FDEDRO
C[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000859138355	982568484	/nfs/dbraw/zinc/56/84/84/982568484.db2.gz	IPAPZXXCKIJWTE-STQMWFEESA-N	1	0	363.380	1.153	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1	ZINC000859140175	982569875	/nfs/dbraw/zinc/56/98/75/982569875.db2.gz	ZROLCKPWTXKFHZ-QZTJIDSGSA-N	1	0	357.454	1.775	20	30		FDEDRO
COC(=O)C1=NOC2(C1)CC[NH+](C[C@H](O)COc1ccccc1C#N)CC2	ZINC000859246520	982643249	/nfs/dbraw/zinc/64/32/49/982643249.db2.gz	KQQFMZHNYSTXJD-HNNXBMFYSA-N	1	0	373.409	1.082	20	30		FDEDRO
CC1CC[NH+](C[C@@H]2CCCN(C(=O)CNc3ccc(C#N)cn3)C2)CC1	ZINC000331389350	982701639	/nfs/dbraw/zinc/70/16/39/982701639.db2.gz	DIXDQKSPWDIFMF-SFHVURJKSA-N	1	0	355.486	2.336	20	30		FDEDRO
CC[NH+](CC)CCCOC(=O)CNS(=O)(=O)c1ccccc1C#N	ZINC000800124149	982752495	/nfs/dbraw/zinc/75/24/95/982752495.db2.gz	WADMNSLJXUOAEO-UHFFFAOYSA-N	1	0	353.444	1.112	20	30		FDEDRO
Cc1cc(C)c(NC(=O)CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c(C)c1	ZINC000884055644	982777570	/nfs/dbraw/zinc/77/75/70/982777570.db2.gz	USALRMWKGXYBCS-NGEICVOHSA-N	1	0	354.454	1.806	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2	ZINC000884056363	982780002	/nfs/dbraw/zinc/78/00/02/982780002.db2.gz	VUTVHGJZFIHUGM-GJZGRUSLSA-N	1	0	360.410	1.568	20	30		FDEDRO
C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884058232	982786325	/nfs/dbraw/zinc/78/63/25/982786325.db2.gz	FEQLCOTYPWFUOT-ABKMUHTPSA-N	1	0	364.453	1.926	20	30		FDEDRO
CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884086069	982843170	/nfs/dbraw/zinc/84/31/70/982843170.db2.gz	MCYCOVHOBFMAJG-BQIYRTECSA-N	1	0	366.465	1.677	20	30		FDEDRO
COC(=O)CN(CC#N)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2	ZINC000859481894	982853628	/nfs/dbraw/zinc/85/36/28/982853628.db2.gz	LAVWZOVHSCFJSS-KRWDZBQOSA-N	1	0	355.438	1.814	20	30		FDEDRO
COc1ccc(CCNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c(OC)c1OC	ZINC000884102660	982869417	/nfs/dbraw/zinc/86/94/17/982869417.db2.gz	JIHCRSPKMOBVBR-RDYUPDBUSA-N	1	0	373.453	1.510	20	30		FDEDRO
COc1cc2c(cc1OC)CCN(C(=O)C1CC3(C1)C[NH2+]C[C@@H]3C#N)CC2	ZINC000884105738	982874690	/nfs/dbraw/zinc/87/46/90/982874690.db2.gz	WXNLPEGAXUEHFR-BATSVXPKSA-N	1	0	369.465	1.770	20	30		FDEDRO
COc1ccc(C2(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CCOCC2)cc1	ZINC000884115312	982892262	/nfs/dbraw/zinc/89/22/62/982892262.db2.gz	NYMIZKGQCTWDPX-RYZJOYRSSA-N	1	0	369.465	1.956	20	30		FDEDRO
CSc1ccc(CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1C#N	ZINC000884128223	982910226	/nfs/dbraw/zinc/91/02/26/982910226.db2.gz	XSMOHOLOOBCFRS-CVEARBPZSA-N	1	0	360.483	1.943	20	30		FDEDRO
CCc1ccc2c(c1)[C@@H](CCNC(=O)C1CC3(C1)C[NH2+]C[C@H]3C#N)C(=O)N2	ZINC000884132302	982915188	/nfs/dbraw/zinc/91/51/88/982915188.db2.gz	MBQQDVKXHYDYHQ-FMPZLKCCSA-N	1	0	366.465	1.930	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCN(c3ccccc3F)C1=O)C2	ZINC000884137179	982919521	/nfs/dbraw/zinc/91/95/21/982919521.db2.gz	GEZGPJYVLGFLOP-RKKLVALLSA-N	1	0	356.401	1.187	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1	ZINC000884186417	982962230	/nfs/dbraw/zinc/96/22/30/982962230.db2.gz	ZHSZTPZFHZYEIS-APWZRJJASA-N	1	0	373.497	1.981	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)CC1	ZINC000884199300	982974749	/nfs/dbraw/zinc/97/47/49/982974749.db2.gz	VWEMFJKXKRSCPK-KRWDZBQOSA-N	1	0	352.523	1.373	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@@H]1CCN(c3ccc(F)cc3)C1)C2	ZINC000884200080	982975514	/nfs/dbraw/zinc/97/55/14/982975514.db2.gz	RWUGNBYNBGDDOL-DQLYFJKKSA-N	1	0	356.445	1.908	20	30		FDEDRO
C[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccc(N2CCOCC2)cc1	ZINC000884203315	982978238	/nfs/dbraw/zinc/97/82/38/982978238.db2.gz	TYZIMUHSZHLAHI-JJXOGSGTSA-N	1	0	368.481	1.840	20	30		FDEDRO
C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000332073691	982989638	/nfs/dbraw/zinc/98/96/38/982989638.db2.gz	DSZHRMCWMAHHAV-HLIPFELVSA-N	1	0	369.513	1.843	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1	ZINC000884218142	982993105	/nfs/dbraw/zinc/99/31/05/982993105.db2.gz	GQZREUBHGSWAOX-NEWSRXKRSA-N	1	0	373.497	1.945	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCN(Cc3ccc(Cl)nc3)CC1)C2	ZINC000884223595	982997205	/nfs/dbraw/zinc/99/72/05/982997205.db2.gz	UHPKYCCHDYOYIR-KOHRHEQBSA-N	1	0	373.888	1.519	20	30		FDEDRO
COc1cc2c(cc1CNC(=O)C1CC3(C1)C[NH2+]C[C@H]3C#N)O[C@@H](C)C2	ZINC000884305730	983070307	/nfs/dbraw/zinc/07/03/07/983070307.db2.gz	GCRJSUZVEUYAFF-WEMPVXMLSA-N	1	0	355.438	1.774	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCC1CCN(CC(F)(F)F)CC1)C2	ZINC000884318161	983079404	/nfs/dbraw/zinc/07/94/04/983079404.db2.gz	OQYBVRCBQVNYPF-NPCAHTBFSA-N	1	0	358.408	1.516	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1	ZINC000884319662	983081051	/nfs/dbraw/zinc/08/10/51/983081051.db2.gz	AFUXSXHBOLZQJI-YQQAZPJKSA-N	1	0	367.396	1.273	20	30		FDEDRO
Cn1cc([C@@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c2ccc(F)cc2)cn1	ZINC000884325427	983086564	/nfs/dbraw/zinc/08/65/64/983086564.db2.gz	QJIVDOJWWZNJQC-QFIIOJAPSA-N	1	0	367.428	1.904	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CCN1Cc1ccccc1	ZINC000884427116	983149670	/nfs/dbraw/zinc/14/96/70/983149670.db2.gz	IFNMRFFJVDFRTI-BZYYEOTJSA-N	1	0	352.482	1.859	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H](Nc2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)C1	ZINC000884612617	983276715	/nfs/dbraw/zinc/27/67/15/983276715.db2.gz	PZAPBECIHJVMSS-GFCCVEGCSA-N	1	0	361.389	1.862	20	30		FDEDRO
C[C@H](C(=O)N1CCCCC1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(C#N)c1)C2	ZINC001095331484	983280384	/nfs/dbraw/zinc/28/03/84/983280384.db2.gz	RYORKMLHZLDOMY-ZSGPHXLJSA-N	1	0	369.469	1.622	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1	ZINC000860530452	983433034	/nfs/dbraw/zinc/43/30/34/983433034.db2.gz	XMWZPCRYKTVQMC-DZGCQCFKSA-N	1	0	362.376	1.959	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccc(C(=O)N2CCOCC2)cc1	ZINC000860530152	983433078	/nfs/dbraw/zinc/43/30/78/983433078.db2.gz	RCBBPFPIQOJWCO-GOSISDBHSA-N	1	0	356.422	1.413	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1	ZINC001588642459	983764295	/nfs/dbraw/zinc/76/42/95/983764295.db2.gz	UTSMVAHGCLYGRW-OAHLLOKOSA-N	1	0	366.849	1.302	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)nc1	ZINC000861556376	983777672	/nfs/dbraw/zinc/77/76/72/983777672.db2.gz	KJUSTWGQPYQDHE-QGZVFWFLSA-N	1	0	372.473	1.165	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)nc1	ZINC000861556188	983777723	/nfs/dbraw/zinc/77/77/23/983777723.db2.gz	FNNHRBVGFMHQFG-QWHCGFSZSA-N	1	0	370.379	1.534	20	30		FDEDRO
C[C@H]([NH2+]C1CCN(CC#N)CC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000862278044	984300473	/nfs/dbraw/zinc/30/04/73/984300473.db2.gz	QNUPDPSXAAFTIV-GOEBONIOSA-N	1	0	352.479	1.588	20	30		FDEDRO
C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(C#N)ccc21	ZINC000868886868	984670833	/nfs/dbraw/zinc/67/08/33/984670833.db2.gz	QMEPHUKSXGDFMP-HNNXBMFYSA-N	1	0	358.442	1.902	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1	ZINC000884778297	984779631	/nfs/dbraw/zinc/77/96/31/984779631.db2.gz	RQALADGXAFNTDT-WDEREUQCSA-N	1	0	353.410	1.008	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1	ZINC000884855760	984893901	/nfs/dbraw/zinc/89/39/01/984893901.db2.gz	PVDJFRQZGLJSTF-DLBZAZTESA-N	1	0	365.518	1.840	20	30		FDEDRO
N#CCCc1ccc(S(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1	ZINC000885023638	985102672	/nfs/dbraw/zinc/10/26/72/985102672.db2.gz	CRDOKPKOOQGPPN-INIZCTEOSA-N	1	0	351.472	1.268	20	30		FDEDRO
C[C@H](CNS(=O)(=O)c1ccc(CCC#N)cc1)N1CC[NH+](C)CC1	ZINC000885029169	985117446	/nfs/dbraw/zinc/11/74/46/985117446.db2.gz	QQSRNBREASAGIR-OAHLLOKOSA-N	1	0	350.488	1.057	20	30		FDEDRO
C[NH+](C)[C@@]1(CNS(=O)(=O)c2ccc(CCC#N)cc2)CCSC1	ZINC000885042297	985132016	/nfs/dbraw/zinc/13/20/16/985132016.db2.gz	LTYKQIRZIGDDNJ-MRXNPFEDSA-N	1	0	353.513	1.858	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1	ZINC000885097018	985172797	/nfs/dbraw/zinc/17/27/97/985172797.db2.gz	RCYSOKVJMMUJLU-SJORKVTESA-N	1	0	365.518	1.840	20	30		FDEDRO
C=CCCC[C@@H](NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)c1ccccc1	ZINC000885218426	985249357	/nfs/dbraw/zinc/24/93/57/985249357.db2.gz	VLXBAVZUJPWAAD-QZTJIDSGSA-N	1	0	359.470	1.776	20	30		FDEDRO
C#CCN(C(=O)NC[C@@H](n1cncn1)C(F)(F)F)C1CC[NH+](C)CC1	ZINC000923613946	985267170	/nfs/dbraw/zinc/26/71/70/985267170.db2.gz	OSGDJXXTORSUCA-CYBMUJFWSA-N	1	0	358.368	1.121	20	30		FDEDRO
CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cccc(C#N)c3)n2)C1	ZINC000869777198	985324855	/nfs/dbraw/zinc/32/48/55/985324855.db2.gz	KHRSNQCBKQRHMT-HNNXBMFYSA-N	1	0	353.426	1.319	20	30		FDEDRO
N#Cc1ccc(C[C@H](C#N)C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)cc1	ZINC000885883667	985749469	/nfs/dbraw/zinc/74/94/69/985749469.db2.gz	YJLSINBNPWLYPH-MJGOQNOKSA-N	1	0	352.438	1.610	20	30		FDEDRO
CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)C[C@@H](O)CC2(C#N)CCC2)C1	ZINC000885979616	985814557	/nfs/dbraw/zinc/81/45/57/985814557.db2.gz	IADFVBZBBGODHZ-CVEARBPZSA-N	1	0	365.474	1.165	20	30		FDEDRO
N#CCc1cccc(S(=O)(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1	ZINC000795109034	985906592	/nfs/dbraw/zinc/90/65/92/985906592.db2.gz	LKFREBCFULZDLX-KRWDZBQOSA-N	1	0	363.483	1.674	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)CCC1	ZINC000886208108	985971302	/nfs/dbraw/zinc/97/13/02/985971302.db2.gz	WDNKYIQBANNACY-CABCVRRESA-N	1	0	355.504	1.225	20	30		FDEDRO
C#CCN1CCC[C@H]([NH2+]Cc2ccccc2OCC(=O)N2CCCC2)C1	ZINC000886213126	985978580	/nfs/dbraw/zinc/97/85/80/985978580.db2.gz	MRVDCJGUQPGUEC-IBGZPJMESA-N	1	0	355.482	1.875	20	30		FDEDRO
C[NH+]1CCN(c2ccnc(NC(=O)c3ccccc3OCC#N)c2)CC1	ZINC000870666700	986214342	/nfs/dbraw/zinc/21/43/42/986214342.db2.gz	FCIVAELXOSCVNW-UHFFFAOYSA-N	1	0	351.410	1.988	20	30		FDEDRO
C#CCN(C(=O)c1cc(C)n(-c2ccn(C)n2)c1C)C1CC[NH+](C)CC1	ZINC000886573460	986371508	/nfs/dbraw/zinc/37/15/08/986371508.db2.gz	JJVFIYCNDIWCOD-UHFFFAOYSA-N	1	0	353.470	1.997	20	30		FDEDRO
C#CCN(C(=O)c1cnc2sc(C)c(C)n2c1=O)C1CC[NH+](C)CC1	ZINC000886579075	986379267	/nfs/dbraw/zinc/37/92/67/986379267.db2.gz	XAVWWJYXUCZLEQ-UHFFFAOYSA-N	1	0	358.467	1.542	20	30		FDEDRO
C#CCN(C(=O)Cn1nc(-c2ccccc2)ccc1=O)C1CC[NH+](C)CC1	ZINC000886583287	986388366	/nfs/dbraw/zinc/38/83/66/986388366.db2.gz	JWUQSZNOZQGLEL-UHFFFAOYSA-N	1	0	364.449	1.466	20	30		FDEDRO
C#CCN(C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)C1CC[NH+](C)CC1	ZINC000886583653	986389370	/nfs/dbraw/zinc/38/93/70/986389370.db2.gz	ZIPKEXYYKSQBHJ-KRWDZBQOSA-N	1	0	360.502	1.470	20	30		FDEDRO
C#CCN(C(=O)CCn1c2ccccc2n(C)c1=O)C1CC[NH+](C)CC1	ZINC000886585224	986390193	/nfs/dbraw/zinc/39/01/93/986390193.db2.gz	MWWFRISPXPRAHO-UHFFFAOYSA-N	1	0	354.454	1.286	20	30		FDEDRO
C#CCN(C(=O)[C@H]1CC(=O)N(c2ccccc2OC)C1)C1CC[NH+](C)CC1	ZINC000886585434	986390972	/nfs/dbraw/zinc/39/09/72/986390972.db2.gz	WOGDKWLVUBWCAE-INIZCTEOSA-N	1	0	369.465	1.604	20	30		FDEDRO
C#CCN1CCC[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)C1	ZINC000886662266	986466769	/nfs/dbraw/zinc/46/67/69/986466769.db2.gz	AGICRFFUGSLDQL-XMTFNYHQSA-N	1	0	365.518	1.992	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)CC1	ZINC000870981040	986559443	/nfs/dbraw/zinc/55/94/43/986559443.db2.gz	CQECTKBKDTYMCA-UHFFFAOYSA-N	1	0	354.389	1.029	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1	ZINC000871002496	986583372	/nfs/dbraw/zinc/58/33/72/986583372.db2.gz	RFCBWEQXRJYLDJ-UAGQMJEPSA-N	1	0	357.410	1.259	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c1	ZINC000886896736	986702835	/nfs/dbraw/zinc/70/28/35/986702835.db2.gz	SEGKZFZUSOENCQ-ZDUSSCGKSA-N	1	0	373.425	1.126	20	30		FDEDRO
CC(=O)N1CC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)C1	ZINC001095359628	986784690	/nfs/dbraw/zinc/78/46/90/986784690.db2.gz	LTGMSCODYCFBPB-QYZOEREBSA-N	1	0	352.438	1.258	20	30		FDEDRO
C#CCN(CC)c1nnc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1Cc1cc(C)on1	ZINC000871334664	986905202	/nfs/dbraw/zinc/90/52/02/986905202.db2.gz	VFYHCTQYKSTNPO-SJORKVTESA-N	1	0	370.457	1.618	20	30		FDEDRO
N#Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2	ZINC000871811594	987260278	/nfs/dbraw/zinc/26/02/78/987260278.db2.gz	ZDHMQAHIYIPMID-LBPRGKRZSA-N	1	0	369.874	1.649	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH+]1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2	ZINC000871994487	987420083	/nfs/dbraw/zinc/42/00/83/987420083.db2.gz	UYUJEDZALSNSEF-INIZCTEOSA-N	1	0	366.506	1.526	20	30		FDEDRO
C#CCC[NH+]1CCC(NS(=O)(=O)c2cn(CCCC)nc2C)CC1	ZINC000872006545	987437940	/nfs/dbraw/zinc/43/79/40/987437940.db2.gz	JBZNMJDOZQXKSE-UHFFFAOYSA-N	1	0	352.504	1.758	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(S(=O)(=O)c3ccc(C)cc3C#N)CC2)c1	ZINC000872446664	987665966	/nfs/dbraw/zinc/66/59/66/987665966.db2.gz	MOURWJVKPBOMSN-UHFFFAOYSA-N	1	0	372.450	1.781	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c(C#N)c1	ZINC000872454109	987675305	/nfs/dbraw/zinc/67/53/05/987675305.db2.gz	SIFCXRLCQDTLFJ-MRXNPFEDSA-N	1	0	351.472	1.382	20	30		FDEDRO
CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2c(C)cccc2C#N)CC1	ZINC000872455512	987677625	/nfs/dbraw/zinc/67/76/25/987677625.db2.gz	UFGHJNTYXLWKES-HNNXBMFYSA-N	1	0	364.515	1.419	20	30		FDEDRO
CSC1(CNS(=O)(=O)c2c(C)cccc2C#N)CC[NH+](C)CC1	ZINC000872488592	987713206	/nfs/dbraw/zinc/71/32/06/987713206.db2.gz	JRIFFHPPUTUAED-UHFFFAOYSA-N	1	0	353.513	1.972	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c(C#N)c1	ZINC000872507151	987731652	/nfs/dbraw/zinc/73/16/52/987731652.db2.gz	PGTDEXZHWZOLTP-MRXNPFEDSA-N	1	0	351.472	1.598	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC3(CCC[N@@H+]3C)CC2)CC1	ZINC000360323774	987989401	/nfs/dbraw/zinc/98/94/01/987989401.db2.gz	QTPPXCKJHKCVAZ-SFHVURJKSA-N	1	0	361.534	1.239	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CN(CN3CC(=O)N(Cc4ccc(C#N)cc4)C3=O)CC[C@@H]21	ZINC000872725191	988010466	/nfs/dbraw/zinc/01/04/66/988010466.db2.gz	CLNKNXLKWMUYSP-ROUUACIJSA-N	1	0	367.453	1.306	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Cc2ccncc2)cc1	ZINC000293362817	988050529	/nfs/dbraw/zinc/05/05/29/988050529.db2.gz	LRWVSZNVWXITJC-UHFFFAOYSA-N	1	0	364.449	1.682	20	30		FDEDRO
CC[NH+]1CCN(CCCNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1	ZINC000293636060	988141550	/nfs/dbraw/zinc/14/15/50/988141550.db2.gz	XEEOKBOTBMDZOM-UHFFFAOYSA-N	1	0	369.391	1.729	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC000299169644	988190725	/nfs/dbraw/zinc/19/07/25/988190725.db2.gz	ITTBAWQGVXBRER-GJZGRUSLSA-N	1	0	358.442	1.764	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000872941278	988314734	/nfs/dbraw/zinc/31/47/34/988314734.db2.gz	KZXFXURETGWPNS-KRWDZBQOSA-N	1	0	365.518	1.666	20	30		FDEDRO
N#Cc1ncn(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)n1	ZINC000366280814	988598049	/nfs/dbraw/zinc/59/80/49/988598049.db2.gz	JFCHXHVVVJRWOC-UHFFFAOYSA-N	1	0	352.442	1.823	20	30		FDEDRO
C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CCC(n3cnc(C#N)n3)CC2)C1	ZINC000366304187	988608461	/nfs/dbraw/zinc/60/84/61/988608461.db2.gz	RARVFUISAUXQEH-HOTGVXAUSA-N	1	0	373.505	1.864	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCC(n2cnc(C#N)n2)CC1	ZINC000366330051	988626831	/nfs/dbraw/zinc/62/68/31/988626831.db2.gz	SLZSCYYXPNMWHF-LSDHHAIUSA-N	1	0	359.478	1.617	20	30		FDEDRO
C[C@H](NC(=O)OCc1ccccc1)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000299684641	988682941	/nfs/dbraw/zinc/68/29/41/988682941.db2.gz	WUFJJSNAMCKASY-INIZCTEOSA-N	1	0	360.458	1.995	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000362705440	988710533	/nfs/dbraw/zinc/71/05/33/988710533.db2.gz	LTPIDGUWBFFQAZ-WBVHZDCISA-N	1	0	356.470	1.610	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1	ZINC000367266662	988943636	/nfs/dbraw/zinc/94/36/36/988943636.db2.gz	IOPVLBZDLJJODA-QGZVFWFLSA-N	1	0	353.466	1.610	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)N(CCC#N)c1ccccc1	ZINC000368497032	988995793	/nfs/dbraw/zinc/99/57/93/988995793.db2.gz	UVSYBZAUBRGFKF-POZUXBRTSA-N	1	0	354.454	1.969	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)CC1	ZINC000368774631	989007464	/nfs/dbraw/zinc/00/74/64/989007464.db2.gz	IUSDDAARHZSSGJ-PMACEKPBSA-N	1	0	369.513	1.638	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](Cc3ccncc3)C2)CC1	ZINC000368774632	989007747	/nfs/dbraw/zinc/00/77/47/989007747.db2.gz	IUSDDAARHZSSGJ-UXHICEINSA-N	1	0	369.513	1.638	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1	ZINC000369228710	989035994	/nfs/dbraw/zinc/03/59/94/989035994.db2.gz	BWTJNRXOYULDFR-GOSISDBHSA-N	1	0	371.485	1.509	20	30		FDEDRO
COc1ccc(C[NH2+]C2CCN(CC(=O)N3CCCC3)CC2)cc1C#N	ZINC000363264841	989043875	/nfs/dbraw/zinc/04/38/75/989043875.db2.gz	SJGNZEBINAOGOP-UHFFFAOYSA-N	1	0	356.470	1.743	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2ncccc2C)C1	ZINC000363299804	989072473	/nfs/dbraw/zinc/07/24/73/989072473.db2.gz	TXNYDNOPDDWRIL-HUUCEWRRSA-N	1	0	373.457	1.441	20	30		FDEDRO
COc1cc(C[NH+]2CCC(NC(=O)c3cnn(C)c3)CC2)ccc1C#N	ZINC000369706365	989108450	/nfs/dbraw/zinc/10/84/50/989108450.db2.gz	JRIGBHRNPYLFMJ-UHFFFAOYSA-N	1	0	353.426	1.695	20	30		FDEDRO
N#Cc1ncn(C2CC[NH+](CC(=O)N(Cc3ccccc3)C3CC3)CC2)n1	ZINC000369731593	989129469	/nfs/dbraw/zinc/12/94/69/989129469.db2.gz	WEBTUMQLPGVDFX-UHFFFAOYSA-N	1	0	364.453	1.978	20	30		FDEDRO
C#CCCCCNC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(F)c1	ZINC000873767069	989144045	/nfs/dbraw/zinc/14/40/45/989144045.db2.gz	YMYQSFPUOQBSBU-UHFFFAOYSA-N	1	0	374.460	1.826	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1C#N	ZINC000873769757	989149853	/nfs/dbraw/zinc/14/98/53/989149853.db2.gz	RLDMHZWXHRLPOW-AWEZNQCLSA-N	1	0	358.442	1.599	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1	ZINC000363419909	989182046	/nfs/dbraw/zinc/18/20/46/989182046.db2.gz	YJZHZWNBCUSSBD-ZWKOTPCHSA-N	1	0	361.534	1.429	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1C#N	ZINC000873819426	989252504	/nfs/dbraw/zinc/25/25/04/989252504.db2.gz	CAMADRGCVJAEHN-CYBMUJFWSA-N	1	0	358.442	1.694	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3cc(C#N)cn3C(C)(C)C)C[C@H]21	ZINC000363664494	989378863	/nfs/dbraw/zinc/37/88/63/989378863.db2.gz	JIXFEZKGTLJUSK-HUUCEWRRSA-N	1	0	357.458	1.606	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1C#N	ZINC000873880916	989382892	/nfs/dbraw/zinc/38/28/92/989382892.db2.gz	WKVNRCUPMZTZTI-XJKSGUPXSA-N	1	0	356.426	1.591	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCC(=O)NCc1ccc(C#N)cc1	ZINC000363713219	989403483	/nfs/dbraw/zinc/40/34/83/989403483.db2.gz	MHFWIEJPSRVXKJ-NSISKUIASA-N	1	0	370.497	1.653	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCC(=O)NCc1ccc(C#N)cc1	ZINC000363713217	989403539	/nfs/dbraw/zinc/40/35/39/989403539.db2.gz	MHFWIEJPSRVXKJ-AHRSYUTCSA-N	1	0	370.497	1.653	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C)c(N2CCCC2)c1	ZINC000873896583	989411737	/nfs/dbraw/zinc/41/17/37/989411737.db2.gz	YSVRXFFJQSLJOR-UHFFFAOYSA-N	1	0	356.470	1.605	20	30		FDEDRO
C[C@H]1CN(C(=O)NCC2CCC(C#N)CC2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000370139141	989485079	/nfs/dbraw/zinc/48/50/79/989485079.db2.gz	BXFWCXPBRGPDBO-RGVPCPSESA-N	1	0	361.534	1.984	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)c1ccc(N2CCCNC2=O)cc1	ZINC000297162212	989486881	/nfs/dbraw/zinc/48/68/81/989486881.db2.gz	RPTLIPXXAIWGRM-INIZCTEOSA-N	1	0	371.485	1.922	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N(C)[C@H]1CCN(c2ccccc2F)C1=O	ZINC000297303619	989509784	/nfs/dbraw/zinc/50/97/84/989509784.db2.gz	HSLNUEAOMWSXIG-KRWDZBQOSA-N	1	0	360.433	1.528	20	30		FDEDRO
C=CCN(Cc1nc(N)nc(N(C)C)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000370234852	989576433	/nfs/dbraw/zinc/57/64/33/989576433.db2.gz	BEBIFODIPPBNFY-QGZVFWFLSA-N	1	0	367.501	1.782	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N(CCO)Cc1ccc(OC)cc1OC	ZINC000297626695	989583365	/nfs/dbraw/zinc/58/33/65/989583365.db2.gz	XYYLZUSXDHILJI-UHFFFAOYSA-N	1	0	363.458	1.163	20	30		FDEDRO
CN(C(=O)CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C1(C#N)CCCCC1	ZINC000364548606	989640595	/nfs/dbraw/zinc/64/05/95/989640595.db2.gz	WSARFJOUWZZERL-GOSISDBHSA-N	1	0	361.534	1.383	20	30		FDEDRO
C#CCO[C@@H](C)c1nc(-c2ccccc2CN2CCC[C@H]2C(N)=O)no1	ZINC000297798232	989699127	/nfs/dbraw/zinc/69/91/27/989699127.db2.gz	QFSZQSQUKWCBBB-BBRMVZONSA-N	1	0	354.410	1.897	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)Oc3ccccc3C#N)C2)CC1	ZINC000370422274	989730579	/nfs/dbraw/zinc/73/05/79/989730579.db2.gz	HLBJWUDSEBPSPS-PKOBYXMFSA-N	1	0	370.497	1.952	20	30		FDEDRO
C[N@@H+]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CCC1(C)C	ZINC000874096080	989737401	/nfs/dbraw/zinc/73/74/01/989737401.db2.gz	BREGLPGSOVKWTR-UHFFFAOYSA-N	1	0	360.462	1.391	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccnc(OC)n1)C(C)C	ZINC000298007334	989834520	/nfs/dbraw/zinc/83/45/20/989834520.db2.gz	YMSJBCBQZPIJKU-CQSZACIVSA-N	1	0	361.446	1.239	20	30		FDEDRO
N#CCn1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)cn1	ZINC000874253383	989987755	/nfs/dbraw/zinc/98/77/55/989987755.db2.gz	OCFOKPKESZQMTI-AZUAARDMSA-N	1	0	365.437	1.884	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H]([NH+](C)C)C2)s1	ZINC000874311324	990079666	/nfs/dbraw/zinc/07/96/66/990079666.db2.gz	WLOXKMAGJXNUMJ-ZDUSSCGKSA-N	1	0	371.528	1.308	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c(F)cc1C#N	ZINC000874365302	990183378	/nfs/dbraw/zinc/18/33/78/990183378.db2.gz	DBZOHNMLTXAANZ-LSDHHAIUSA-N	1	0	360.389	1.340	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1	ZINC000875002122	990710292	/nfs/dbraw/zinc/71/02/92/990710292.db2.gz	BMWUKDSJKANSLE-INIZCTEOSA-N	1	0	351.491	1.302	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NCCC[NH+]3CCCCC3)CC2)cn1	ZINC000875020186	990742957	/nfs/dbraw/zinc/74/29/57/990742957.db2.gz	NYNCUHWYCAIQDO-UHFFFAOYSA-N	1	0	356.474	1.661	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000875116462	990919636	/nfs/dbraw/zinc/91/96/36/990919636.db2.gz	GQOMZHQLJLFHSZ-MOPGFXCFSA-N	1	0	371.481	1.169	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1	ZINC000875136057	990945806	/nfs/dbraw/zinc/94/58/06/990945806.db2.gz	DSMLPWBCIBGGTD-RBUKOAKNSA-N	1	0	371.481	1.403	20	30		FDEDRO
CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000372215814	990964586	/nfs/dbraw/zinc/96/45/86/990964586.db2.gz	FYLKFQNZPDDJNL-SIFCLUCFSA-N	1	0	369.469	1.772	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1	ZINC000875176376	991010611	/nfs/dbraw/zinc/01/06/11/991010611.db2.gz	ZVKOFJBVIQBVLS-QXAKKESOSA-N	1	0	371.481	1.310	20	30		FDEDRO
C[C@H](C(=O)Nc1ccccc1C#N)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000372369295	991049253	/nfs/dbraw/zinc/04/92/53/991049253.db2.gz	XZDLYDABSKDNED-VQIMIIECSA-N	1	0	369.513	1.986	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000875223378	991121237	/nfs/dbraw/zinc/12/12/37/991121237.db2.gz	LPRFXXKCBFBOKT-MOPGFXCFSA-N	1	0	371.481	1.312	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1	ZINC000875235629	991162205	/nfs/dbraw/zinc/16/22/05/991162205.db2.gz	OCUHAYGKRAPSDZ-WMZOPIPTSA-N	1	0	363.502	1.444	20	30		FDEDRO
CN1CCC[C@]2(CC[N@@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1=O	ZINC000372493646	991163107	/nfs/dbraw/zinc/16/31/07/991163107.db2.gz	HVCOLZROXANMTB-WIYYLYMNSA-N	1	0	366.465	1.998	20	30		FDEDRO
CN1CCC[C@@]2(CC[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)C1=O	ZINC000372552129	991205649	/nfs/dbraw/zinc/20/56/49/991205649.db2.gz	JEMHQBDUKZDQSK-PXNSSMCTSA-N	1	0	352.438	1.608	20	30		FDEDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1	ZINC000875271525	991234278	/nfs/dbraw/zinc/23/42/78/991234278.db2.gz	KUCYHEYUCKTUFJ-SFHVURJKSA-N	1	0	367.457	1.170	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)ccc1F	ZINC000372578416	991237202	/nfs/dbraw/zinc/23/72/02/991237202.db2.gz	MIZRKGBELKKUDE-DYVFJYSZSA-N	1	0	374.416	1.253	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+](CC=C)[C@@H](C)c2cccc(-n3cnnn3)c2)C1=O	ZINC000410368141	991271053	/nfs/dbraw/zinc/27/10/53/991271053.db2.gz	LYVZQVNHIKMMFN-YJBOKZPZSA-N	1	0	352.442	1.998	20	30		FDEDRO
C=CCN1CC[C@@H]([NH+]2CCC(C(=O)NCc3ccc(OC)cc3)CC2)C1=O	ZINC000410394823	991289544	/nfs/dbraw/zinc/28/95/44/991289544.db2.gz	GICMJNTXWPVFEK-LJQANCHMSA-N	1	0	371.481	1.810	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO	ZINC000875477383	991610430	/nfs/dbraw/zinc/61/04/30/991610430.db2.gz	YIPWOTUGXKZVFX-MOPGFXCFSA-N	1	0	359.470	1.481	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N	ZINC000875489791	991637568	/nfs/dbraw/zinc/63/75/68/991637568.db2.gz	PIPAPBJTDASEFR-HZSPNIEDSA-N	1	0	351.451	1.139	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1	ZINC000875598123	991783904	/nfs/dbraw/zinc/78/39/04/991783904.db2.gz	RBZYWJNKTHRKJE-SJLPKXTDSA-N	1	0	363.502	1.444	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1	ZINC000875606472	991796941	/nfs/dbraw/zinc/79/69/41/991796941.db2.gz	VLGAHFCVKXBUFM-QZTJIDSGSA-N	1	0	363.502	1.256	20	30		FDEDRO
C#CCCN(CCOC)C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1	ZINC000875705244	991923691	/nfs/dbraw/zinc/92/36/91/991923691.db2.gz	XALXJOXDRXZMJS-IBGZPJMESA-N	1	0	371.481	1.184	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1	ZINC000875729338	991954301	/nfs/dbraw/zinc/95/43/01/991954301.db2.gz	VOCBEGKSLZPPOA-UHFFFAOYSA-N	1	0	356.470	1.896	20	30		FDEDRO
C#C[C@@H](NC(=O)N(CCOC)CC1CC[NH+](C)CC1)C1CCOCC1	ZINC000875747314	991967779	/nfs/dbraw/zinc/96/77/79/991967779.db2.gz	IKVHGZLYQZINEO-GOSISDBHSA-N	1	0	351.491	1.415	20	30		FDEDRO
Cc1c(C#N)c(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)nn1C	ZINC000875808227	992019644	/nfs/dbraw/zinc/01/96/44/992019644.db2.gz	ODMOHOUZWWHWQO-WBVHZDCISA-N	1	0	369.473	1.786	20	30		FDEDRO
C[NH+]1CCC(n2ccc(NC(=O)Cc3ccc(OCC#N)cc3)n2)CC1	ZINC000373293787	992128879	/nfs/dbraw/zinc/12/88/79/992128879.db2.gz	VLNSYWHJZAHZNN-UHFFFAOYSA-N	1	0	353.426	2.233	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000875918374	992189808	/nfs/dbraw/zinc/18/98/08/992189808.db2.gz	QGSFRQRWJOALRT-VAMGGRTRSA-N	1	0	373.497	1.597	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1	ZINC000411586621	992507828	/nfs/dbraw/zinc/50/78/28/992507828.db2.gz	OFTQAKOVTNLANN-CABCVRRESA-N	1	0	365.405	1.164	20	30		FDEDRO
COC[C@@]1(C[NH+](C)C)COCCN1C(=O)[C@@H](C)Cc1ccc(C#N)cc1	ZINC000876475956	992649093	/nfs/dbraw/zinc/64/90/93/992649093.db2.gz	SVRJXJYZZUBQDS-JXFKEZNVSA-N	1	0	359.470	1.542	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])s1	ZINC000876533909	992689867	/nfs/dbraw/zinc/68/98/67/992689867.db2.gz	MTZGUVSMWRRBJJ-OCCSQVGLSA-N	1	0	371.528	1.341	20	30		FDEDRO
COC(=O)[C@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC[N@H+](C)C1	ZINC000411899290	992692242	/nfs/dbraw/zinc/69/22/42/992692242.db2.gz	BKOXMHSYGZINBV-OAHLLOKOSA-N	1	0	355.398	1.145	20	30		FDEDRO
CC(C)C(=O)N1CCCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876606451	992737319	/nfs/dbraw/zinc/73/73/19/992737319.db2.gz	DTACFUZOGFUEOI-GOSISDBHSA-N	1	0	354.454	1.462	20	30		FDEDRO
C[C@H]1CN(C(=O)Cc2cccc(OCC#N)c2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000374314707	992768986	/nfs/dbraw/zinc/76/89/86/992768986.db2.gz	DIBPGEIUDNMYEB-FXAWDEMLSA-N	1	0	370.497	1.616	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC[C@H](N2CCCC2=O)C1	ZINC000876651929	992772863	/nfs/dbraw/zinc/77/28/63/992772863.db2.gz	CXHMKOGRHFMVDH-QFBILLFUSA-N	1	0	352.438	1.358	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC[C@@H](N2CCCC2=O)C1	ZINC000876651930	992772945	/nfs/dbraw/zinc/77/29/45/992772945.db2.gz	CXHMKOGRHFMVDH-VQIMIIECSA-N	1	0	352.438	1.358	20	30		FDEDRO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[NH+]2CCC3(CCO3)CC2)CC1	ZINC000374377982	992797196	/nfs/dbraw/zinc/79/71/96/992797196.db2.gz	PINMVWXAJFREHR-INIZCTEOSA-N	1	0	374.510	1.712	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](CO)Cc1cc(OC)cc(OC)c1	ZINC000876697431	992806465	/nfs/dbraw/zinc/80/64/65/992806465.db2.gz	DMXPNIJJJIDYEN-CZUORRHYSA-N	1	0	356.850	1.441	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(Cc2cc(OC)ccc2OC)CC1	ZINC000876710387	992816112	/nfs/dbraw/zinc/81/61/12/992816112.db2.gz	JMGRFMIVWDXPOG-MRXNPFEDSA-N	1	0	367.877	1.818	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCCN(CC(F)(F)F)CC1	ZINC000876717952	992826530	/nfs/dbraw/zinc/82/65/30/992826530.db2.gz	JGKOZCLXKLEJGD-MRXNPFEDSA-N	1	0	366.387	1.842	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(c2ccc(Br)cn2)CC1	ZINC000876720230	992831862	/nfs/dbraw/zinc/83/18/62/992831862.db2.gz	DZMMYOQPPSLKQJ-LBPRGKRZSA-N	1	0	373.682	1.963	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	ZINC000876732275	992847089	/nfs/dbraw/zinc/84/70/89/992847089.db2.gz	YUAMQNMIMOIJSI-HNNXBMFYSA-N	1	0	355.841	1.873	20	30		FDEDRO
CN(CC(F)F)C1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876775242	992900099	/nfs/dbraw/zinc/90/00/99/992900099.db2.gz	RRSOGNJCEZOZQP-SFHVURJKSA-N	1	0	362.424	1.933	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](c1cccs1)N1CCN(C)CC1	ZINC000876779761	992905107	/nfs/dbraw/zinc/90/51/07/992905107.db2.gz	MHXDIVHJEHDVEB-KGLIPLIRSA-N	1	0	356.923	1.623	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CCN1CCN(c2ccccc2)CC1	ZINC000876784836	992912643	/nfs/dbraw/zinc/91/26/43/992912643.db2.gz	LIVYDLYYZPJIEF-QGZVFWFLSA-N	1	0	350.894	1.737	20	30		FDEDRO
COc1ccc(-c2nc(C)sc2CC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cc1	ZINC000876802597	992919989	/nfs/dbraw/zinc/91/99/89/992919989.db2.gz	QWQKOSIRCGBJNU-HIFRSBDPSA-N	1	0	356.451	1.897	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N(C)C1CC[NH+](CCc2ccncc2)CC1	ZINC000374748521	992934790	/nfs/dbraw/zinc/93/47/90/992934790.db2.gz	IAMGGDLGGDDTQY-INIZCTEOSA-N	1	0	373.501	1.421	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c(F)c1	ZINC000375012771	992982832	/nfs/dbraw/zinc/98/28/32/992982832.db2.gz	XFKZKUGOHWJPAI-AWEZNQCLSA-N	1	0	361.392	1.971	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1	ZINC000877014016	993009892	/nfs/dbraw/zinc/00/98/92/993009892.db2.gz	XRTAPXROLAPTRT-SFHVURJKSA-N	1	0	361.873	1.664	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CC[NH2+][C@H]2CC)s1	ZINC000877023557	993017237	/nfs/dbraw/zinc/01/72/37/993017237.db2.gz	WJXYEYOXACWDRX-QWHCGFSZSA-N	1	0	357.501	1.012	20	30		FDEDRO
CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(OCC#N)cc1)C2	ZINC001137116516	993081123	/nfs/dbraw/zinc/08/11/23/993081123.db2.gz	HKSGXQKUEDRYCU-AZUAARDMSA-N	1	0	373.453	1.475	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)s1	ZINC000877273848	993168772	/nfs/dbraw/zinc/16/87/72/993168772.db2.gz	RMFCQCIUBQZZRH-UONOGXRCSA-N	1	0	369.512	1.108	20	30		FDEDRO
N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)c1	ZINC000877654059	993412890	/nfs/dbraw/zinc/41/28/90/993412890.db2.gz	VAVXLEDKINVXCD-CYBMUJFWSA-N	1	0	354.805	1.413	20	30		FDEDRO
CC(C)(C)OC(=O)CN1CCC([NH2+]Cc2cnc3c(C#N)cnn3c2)CC1	ZINC000877719554	993474595	/nfs/dbraw/zinc/47/45/95/993474595.db2.gz	CUNRXOQJXLDUPB-UHFFFAOYSA-N	1	0	370.457	1.497	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@@H](O)C2)CC1	ZINC000968870174	1015789151	/nfs/dbraw/zinc/78/91/51/1015789151.db2.gz	SGKJTJVXSQLECK-MSOLQXFVSA-N	1	0	368.437	1.382	20	30		FDEDRO
N#Cc1ccc(CN2CC[NH+](C[C@H](O)CC3(CO)CCCC3)CC2)cc1	ZINC000877944237	993565284	/nfs/dbraw/zinc/56/52/84/993565284.db2.gz	WMOMOLRYRWDPGE-HXUWFJFHSA-N	1	0	357.498	1.980	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@H]2CO[C@H](CCC(=O)OC(C)(C)C)C2)CC1	ZINC000878222080	993801545	/nfs/dbraw/zinc/80/15/45/993801545.db2.gz	AAJXOZZZVRSGKU-HUUCEWRRSA-N	1	0	365.474	1.618	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC1	ZINC000923917916	994265979	/nfs/dbraw/zinc/26/59/79/994265979.db2.gz	MLIKZFNGZZEUOL-FZNQNYSPSA-N	1	0	364.490	1.687	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCO[C@@H](C)C1	ZINC001110892065	994588227	/nfs/dbraw/zinc/58/82/27/994588227.db2.gz	KTCYKEBWIKJZJM-HZMVEIRTSA-N	1	0	363.502	1.558	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CN1C(=O)N[C@H]([C@@H](O)c2ccncc2)C1=O)C(C)C	ZINC000924486753	994737164	/nfs/dbraw/zinc/73/71/64/994737164.db2.gz	YMRFGNMENZHTOA-KURKYZTESA-N	1	0	372.469	1.734	20	30		FDEDRO
CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)CCc2cccc(C#N)c2)C1	ZINC000879434812	994911440	/nfs/dbraw/zinc/91/14/40/994911440.db2.gz	NPTUAFLGKDMWJQ-SFHVURJKSA-N	1	0	357.454	1.834	20	30		FDEDRO
COC(=O)C[C@@](C)([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C1CC1	ZINC000879442913	994916625	/nfs/dbraw/zinc/91/66/25/994916625.db2.gz	ZLHLVFHTSMOAQG-QGZVFWFLSA-N	1	0	350.440	1.653	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@H](Cc2ccccc2)C(=O)OC)CC1	ZINC000924958080	995183247	/nfs/dbraw/zinc/18/32/47/995183247.db2.gz	FGKLSWBBZHHKQE-KRWDZBQOSA-N	1	0	357.454	1.415	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2CC(=O)NCCC#N)C1	ZINC000879701103	995200007	/nfs/dbraw/zinc/20/00/07/995200007.db2.gz	PYWYUXACEMUNJM-GJZGRUSLSA-N	1	0	350.463	1.738	20	30		FDEDRO
C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1C	ZINC000924985111	995210747	/nfs/dbraw/zinc/21/07/47/995210747.db2.gz	DCPKRPYUBGOMPP-HOTGVXAUSA-N	1	0	356.426	1.232	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCC2(C)CCN(c3ccnc(C#N)n3)CC2)CC[N@@H+]1C	ZINC001110897983	995253329	/nfs/dbraw/zinc/25/33/29/995253329.db2.gz	JAHRHINVECCADY-HUUCEWRRSA-N	1	0	356.474	1.411	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1	ZINC000968956885	1015933393	/nfs/dbraw/zinc/93/33/93/1015933393.db2.gz	YYZRERPAJNXANC-OAGGEKHMSA-N	1	0	352.866	1.831	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1	ZINC000880250643	995754728	/nfs/dbraw/zinc/75/47/28/995754728.db2.gz	QUWJSIJKZAQRBV-KRWDZBQOSA-N	1	0	364.534	1.605	20	30		FDEDRO
C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1cn(C)nn1	ZINC000925924788	995831743	/nfs/dbraw/zinc/83/17/43/995831743.db2.gz	MGTINZWLWJJEMB-OAHLLOKOSA-N	1	0	367.457	1.665	20	30		FDEDRO
CON=Cc1ccc(C(=O)N[C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1	ZINC000926190679	995970100	/nfs/dbraw/zinc/97/01/00/995970100.db2.gz	YXQZSDASSCURRI-FTEYMNFISA-N	1	0	359.470	1.876	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@]3(C[N@@H+](CC)[C@H]3C(C)C)C[C@H]2O)CC1	ZINC000926255542	996000637	/nfs/dbraw/zinc/00/06/37/996000637.db2.gz	RRSSFIBBRAWHAZ-WERVVEIQSA-N	1	0	361.530	1.318	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)C(=O)N3CC[C@@H](CC[NH3+])C3)CC2)cc1	ZINC000926311324	996047403	/nfs/dbraw/zinc/04/74/03/996047403.db2.gz	UQRODQIROXTDCV-MRXNPFEDSA-N	1	0	370.453	1.125	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1	ZINC000926314688	996048558	/nfs/dbraw/zinc/04/85/58/996048558.db2.gz	NLZOPRPTSQUWGH-RDJZCZTQSA-N	1	0	359.470	1.653	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1CC2(C1)OCCO2	ZINC000927074365	996441832	/nfs/dbraw/zinc/44/18/32/996441832.db2.gz	LKZGPASUJWFWHH-UHFFFAOYSA-N	1	0	372.469	1.785	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCO2	ZINC000965392987	1016033796	/nfs/dbraw/zinc/03/37/96/1016033796.db2.gz	QLRFYZHUZDPZPR-GPMSIDNRSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1nccn1C)C2	ZINC000965422943	1016058676	/nfs/dbraw/zinc/05/86/76/1016058676.db2.gz	AVBKTLISGKNYKR-WJPLLRQDSA-N	1	0	358.486	1.918	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+]CC2(C3(O)CCC3)CCC2)CC1	ZINC000886979488	996794913	/nfs/dbraw/zinc/79/49/13/996794913.db2.gz	NDLMLDXPIOTAEX-KRWDZBQOSA-N	1	0	362.518	1.354	20	30		FDEDRO
C[C@@H]1CN(c2cc[nH+]cc2)CCN1CCS(=O)(=O)c1cccc(C#N)c1	ZINC000887132328	996958943	/nfs/dbraw/zinc/95/89/43/996958943.db2.gz	CUFNQCTYQPPDDE-MRXNPFEDSA-N	1	0	370.478	1.938	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCN1Cc1ccccc1	ZINC000333615856	997244052	/nfs/dbraw/zinc/24/40/52/997244052.db2.gz	YQXFKJILDFCFCQ-MTQWCTHYSA-N	1	0	367.497	1.794	20	30		FDEDRO
COc1ccc(C(C)(C)CNC(=[NH2+])N2CCN(c3ncccn3)CC2)cc1	ZINC000264134326	997409851	/nfs/dbraw/zinc/40/98/51/997409851.db2.gz	ZFSKHPPUOONMIW-UHFFFAOYSA-N	1	0	368.485	1.900	20	30		FDEDRO
C[C@]1(C#N)CN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CCO1	ZINC000887675138	997635018	/nfs/dbraw/zinc/63/50/18/997635018.db2.gz	QINFEKKAZITMCA-FQEVSTJZSA-N	1	0	356.470	1.730	20	30		FDEDRO
C#CC[C@H]1CCN(C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)C1	ZINC000887681791	997644955	/nfs/dbraw/zinc/64/49/55/997644955.db2.gz	MWASRGZEMSVPJA-IBGZPJMESA-N	1	0	354.498	1.989	20	30		FDEDRO
C[NH+](C)CCn1cc(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cn1	ZINC000887737544	997713303	/nfs/dbraw/zinc/71/33/03/997713303.db2.gz	XZZJYOSNWLLDMX-SFHVURJKSA-N	1	0	353.426	1.530	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)Nc3ccc(C#N)cn3)ccn2)CC1	ZINC000889221007	998228993	/nfs/dbraw/zinc/22/89/93/998228993.db2.gz	QTOWLLPPFWLDBF-UHFFFAOYSA-N	1	0	351.414	1.422	20	30		FDEDRO
[NH2+]=C(NC[C@@H](O)Cc1ccccc1)N1CCN(c2ccc(F)cc2)CC1	ZINC000104193338	998316845	/nfs/dbraw/zinc/31/68/45/998316845.db2.gz	LBVKPKNELLQFCE-IBGZPJMESA-N	1	0	356.445	1.866	20	30		FDEDRO
N#Cc1cccc(-n2ccc(C(=O)N3CC[C@H]4[C@H]3CCC[N@H+]4CCO)n2)c1	ZINC000889755094	998600947	/nfs/dbraw/zinc/60/09/47/998600947.db2.gz	HGPHZSOYSIPYBG-RBUKOAKNSA-N	1	0	365.437	1.415	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)cc1OC	ZINC000889782531	998655380	/nfs/dbraw/zinc/65/53/80/998655380.db2.gz	RQLVVVGZMMPDRU-SJORKVTESA-N	1	0	360.454	1.931	20	30		FDEDRO
CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)Nc2cccc(CC#N)n2)CC1	ZINC000889864220	998711926	/nfs/dbraw/zinc/71/19/26/998711926.db2.gz	RTADJOZGNJMSAI-UHFFFAOYSA-N	1	0	357.458	1.665	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1cccc(CC#N)n1)[N@H+](C)Cc1ccccc1	ZINC000889911510	998725590	/nfs/dbraw/zinc/72/55/90/998725590.db2.gz	JSRRNCBEUAACTA-HNNXBMFYSA-N	1	0	365.437	1.723	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C3CC3)c(C#N)c2)C1	ZINC000889955431	998744303	/nfs/dbraw/zinc/74/43/03/998744303.db2.gz	RVRXRJQDKGBAHI-INIZCTEOSA-N	1	0	356.426	1.211	20	30		FDEDRO
C[N@H+](CCNC(=O)C(=O)Nc1cccc(CC#N)n1)Cc1ccc(F)cc1	ZINC000889983785	998758567	/nfs/dbraw/zinc/75/85/67/998758567.db2.gz	COJGVNLCIYYEFT-UHFFFAOYSA-N	1	0	369.400	1.473	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1	ZINC000890028947	998782431	/nfs/dbraw/zinc/78/24/31/998782431.db2.gz	PDCFPNBZVYQDKJ-WMLDXEAASA-N	1	0	367.453	1.561	20	30		FDEDRO
C[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000890144550	998841704	/nfs/dbraw/zinc/84/17/04/998841704.db2.gz	FMGOSCYPWQIXFN-YOEHRIQHSA-N	1	0	355.442	1.328	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)C1	ZINC000890376295	998920836	/nfs/dbraw/zinc/92/08/36/998920836.db2.gz	CZFWJNFJCCKEAJ-GOSISDBHSA-N	1	0	369.513	1.966	20	30		FDEDRO
CC(C)CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc(CC#N)n1	ZINC000890433692	998941528	/nfs/dbraw/zinc/94/15/28/998941528.db2.gz	GBOVFODYIGYDDU-UHFFFAOYSA-N	1	0	371.485	1.913	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1COC(=O)CCOC1CN(C(=O)OC(C)(C)C)C1	ZINC000777316700	999003894	/nfs/dbraw/zinc/00/38/94/999003894.db2.gz	FPESKSQUWPMUAJ-HNNXBMFYSA-N	1	0	366.458	1.653	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1ncn(C)c1=O)C2	ZINC001110854559	999043349	/nfs/dbraw/zinc/04/33/49/999043349.db2.gz	LNXVHWDXMZVZSE-ZACQAIPSSA-N	1	0	361.490	1.440	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1COCCN1CC(F)F)C2	ZINC001110857762	999053638	/nfs/dbraw/zinc/05/36/38/999053638.db2.gz	PXBXQFNGJTWJJB-WCVJEAGWSA-N	1	0	357.445	1.640	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1COCCN1CC(F)F)C2	ZINC001110857761	999053733	/nfs/dbraw/zinc/05/37/33/999053733.db2.gz	PXBXQFNGJTWJJB-LVQVYYBASA-N	1	0	357.445	1.640	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)nc1C(C)C)C2	ZINC001110863266	999072154	/nfs/dbraw/zinc/07/21/54/999072154.db2.gz	BSEFREUFDGWWPJ-NXHRZFHOSA-N	1	0	368.481	1.598	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3c(c1)c(C)nn3C)C2	ZINC001110876012	999096216	/nfs/dbraw/zinc/09/62/16/999096216.db2.gz	WPGOGWCUSQJPOL-NXHRZFHOSA-N	1	0	369.469	1.814	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1nc3ccccn3c1=O)C2	ZINC001110880272	999104040	/nfs/dbraw/zinc/10/40/40/999104040.db2.gz	JBKHVNCCJSXARM-VQHPVUNQSA-N	1	0	369.469	1.572	20	30		FDEDRO
CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)C1	ZINC000266654085	999210067	/nfs/dbraw/zinc/21/00/67/999210067.db2.gz	XATYUSQRDBJBQD-HNNXBMFYSA-N	1	0	358.442	1.718	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](O)c2cccc(OC)c2)CC1	ZINC000267403887	999327258	/nfs/dbraw/zinc/32/72/58/999327258.db2.gz	GQHRTDOJAVZPLB-MRXNPFEDSA-N	1	0	364.446	1.254	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)C(=O)N1CCc2ccc(C#N)cc21)[NH+]1CCCC1	ZINC000270194880	999524323	/nfs/dbraw/zinc/52/43/23/999524323.db2.gz	OEUPITIAVOQXFP-GOSISDBHSA-N	1	0	354.454	1.684	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)nn1CCC#N	ZINC000271103065	999661511	/nfs/dbraw/zinc/66/15/11/999661511.db2.gz	YXMJHQRSBRJOOF-HNNXBMFYSA-N	1	0	358.446	1.131	20	30		FDEDRO
CC(C)C[NH+]1CCC(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1	ZINC000271557367	999711916	/nfs/dbraw/zinc/71/19/16/999711916.db2.gz	LSCONXSSVHVSDL-UHFFFAOYSA-N	1	0	374.489	1.685	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(c3ccc(F)c(OC)c3)CC2)CC1	ZINC000283133738	999741256	/nfs/dbraw/zinc/74/12/56/999741256.db2.gz	INQNODUVQZSRAB-UHFFFAOYSA-N	1	0	359.445	1.828	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2cc(C)ccc2OC)CC1	ZINC000283564773	999757197	/nfs/dbraw/zinc/75/71/97/999757197.db2.gz	RNGZYLPUIPNDSZ-OAHLLOKOSA-N	1	0	359.470	1.947	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NCc1ccc(O)cc1)C(C)C	ZINC000283589248	999757700	/nfs/dbraw/zinc/75/77/00/999757700.db2.gz	PRWPMMTZUXEKKV-GOSISDBHSA-N	1	0	359.470	1.823	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1	ZINC000283977817	999763606	/nfs/dbraw/zinc/76/36/06/999763606.db2.gz	LVUJMKQFTQCFFZ-XHSDSOJGSA-N	1	0	372.469	1.351	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCc2c[nH]nc21)C(C)C	ZINC000283993388	999765143	/nfs/dbraw/zinc/76/51/43/999765143.db2.gz	JPPSZQGCULIUOF-IAGOWNOFSA-N	1	0	373.501	1.718	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NCCn1ccnc1C)C(C)C	ZINC000284028007	999773403	/nfs/dbraw/zinc/77/34/03/999773403.db2.gz	LLAPOVBRNJWAPA-QGZVFWFLSA-N	1	0	361.490	1.123	20	30		FDEDRO
COC(=O)c1cn(CCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)nn1	ZINC000284090251	999776205	/nfs/dbraw/zinc/77/62/05/999776205.db2.gz	ROHMKMZMRUMECV-UHFFFAOYSA-N	1	0	372.307	1.390	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1	ZINC000284100144	999776452	/nfs/dbraw/zinc/77/64/52/999776452.db2.gz	TZMVFKCFPJAEJC-HNNXBMFYSA-N	1	0	354.454	1.892	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1	ZINC000284100145	999776596	/nfs/dbraw/zinc/77/65/96/999776596.db2.gz	TZMVFKCFPJAEJC-OAHLLOKOSA-N	1	0	354.454	1.892	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1	ZINC000284960966	999888151	/nfs/dbraw/zinc/88/81/51/999888151.db2.gz	FLXWRXNLKYFGFL-GOSISDBHSA-N	1	0	366.465	1.673	20	30		FDEDRO
C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N(C)Cc1ccc(C#N)cc1	ZINC000285088909	999901666	/nfs/dbraw/zinc/90/16/66/999901666.db2.gz	PKRLZODHEFNPSA-BBWFWOEESA-N	1	0	370.497	1.999	20	30		FDEDRO
N#Cc1cc(C(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c[nH]1	ZINC000285546550	999915443	/nfs/dbraw/zinc/91/54/43/999915443.db2.gz	GEQLNHKCQIYFKP-FQEVSTJZSA-N	1	0	363.465	1.919	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(CCO)Cc2ccc(C)cc2)CC1	ZINC000286367129	999943951	/nfs/dbraw/zinc/94/39/51/999943951.db2.gz	CFLYIVWWKRGLIN-UHFFFAOYSA-N	1	0	359.470	1.083	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)CCCc2ccc(OC)cc2)CC1	ZINC000286388157	999944164	/nfs/dbraw/zinc/94/41/64/999944164.db2.gz	DCPMCXNUKMFEPZ-UHFFFAOYSA-N	1	0	373.497	1.853	20	30		FDEDRO
C[NH+](C)CCN(CCCc1ccccc1)C(=O)C(=O)NCCCCC#N	ZINC000286380328	999944180	/nfs/dbraw/zinc/94/41/80/999944180.db2.gz	DSKZKEYQKULBKE-UHFFFAOYSA-N	1	0	358.486	1.819	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(Cc2ccccn2)C2CC2)CC1	ZINC000286448721	999944472	/nfs/dbraw/zinc/94/44/72/999944472.db2.gz	HJSLNHUCEWVTJL-UHFFFAOYSA-N	1	0	356.470	1.729	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C)c3ccccc3C2)CC1	ZINC000286495014	999944916	/nfs/dbraw/zinc/94/49/16/999944916.db2.gz	KBCJPXQRPPAMLV-UHFFFAOYSA-N	1	0	370.497	1.622	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC(c3ccncc3)CC2)CC1	ZINC000286716938	999946923	/nfs/dbraw/zinc/94/69/23/999946923.db2.gz	QSUYDPOJQVXMFE-UHFFFAOYSA-N	1	0	356.470	1.554	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)CC1	ZINC000286729636	999947764	/nfs/dbraw/zinc/94/77/64/999947764.db2.gz	RKJDSYMQKDWXNP-QGZVFWFLSA-N	1	0	373.501	1.847	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCc2ccc(F)cc2C)CC1	ZINC000286866436	999952849	/nfs/dbraw/zinc/95/28/49/999952849.db2.gz	ZYVDWXOAXXKJME-UHFFFAOYSA-N	1	0	361.461	1.950	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1	ZINC000287372658	999957094	/nfs/dbraw/zinc/95/70/94/999957094.db2.gz	OCLDSBJLDNZZRS-HNNXBMFYSA-N	1	0	357.454	1.634	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000288362741	1000011128	/nfs/dbraw/zinc/01/11/28/1000011128.db2.gz	JKWFUTIGFIKWPJ-WMZOPIPTSA-N	1	0	359.470	1.332	20	30		FDEDRO
CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000288552517	1000026514	/nfs/dbraw/zinc/02/65/14/1000026514.db2.gz	VLAFBVAHGKALKH-UHFFFAOYSA-N	1	0	372.429	1.309	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000288964212	1000063814	/nfs/dbraw/zinc/06/38/14/1000063814.db2.gz	RKEWAJVDZWRUMV-IBGZPJMESA-N	1	0	371.481	1.594	20	30		FDEDRO
C[N@H+](C[C@H](O)CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1)C1CC1	ZINC000289309323	1000089467	/nfs/dbraw/zinc/08/94/67/1000089467.db2.gz	DUPIUZKUJIHWNX-IBGZPJMESA-N	1	0	356.470	1.664	20	30		FDEDRO
CN1CC[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)[C@H]1c1ccccc1	ZINC000289478404	1000101656	/nfs/dbraw/zinc/10/16/56/1000101656.db2.gz	XSLHVGPBFJRIEG-PKOBYXMFSA-N	1	0	370.478	1.762	20	30		FDEDRO
CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)cc1	ZINC000289520923	1000104221	/nfs/dbraw/zinc/10/42/21/1000104221.db2.gz	HBXUECWMKQTTPY-XLIONFOSSA-N	1	0	369.469	1.989	20	30		FDEDRO
C#CCOc1ccccc1C[NH+]1CCC(C(=O)N2CCN(C)CC2)CC1	ZINC000289720429	1000115370	/nfs/dbraw/zinc/11/53/70/1000115370.db2.gz	HGUNLIRZAMBHSU-UHFFFAOYSA-N	1	0	355.482	1.685	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc3c2OCC(=O)N3)CC1	ZINC000290204287	1000126992	/nfs/dbraw/zinc/12/69/92/1000126992.db2.gz	IBUPGSQLABFQDO-UHFFFAOYSA-N	1	0	372.425	1.113	20	30		FDEDRO
CC[C@@]1(CNC(=[NH2+])NCCCN2CCOCC2)OCCc2ccccc21	ZINC000290763288	1000157705	/nfs/dbraw/zinc/15/77/05/1000157705.db2.gz	ZPEHABKLFVYBKD-FQEVSTJZSA-N	1	0	360.502	1.491	20	30		FDEDRO
CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000290821005	1000161474	/nfs/dbraw/zinc/16/14/74/1000161474.db2.gz	ASUDUHAKZAHOLJ-HZPDHXFCSA-N	1	0	373.505	1.689	20	30		FDEDRO
CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000291907963	1000199587	/nfs/dbraw/zinc/19/95/87/1000199587.db2.gz	MYBDLSTWOPNTOV-HZPDHXFCSA-N	1	0	373.505	1.689	20	30		FDEDRO
COc1ccc(CNC(=O)CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000292180506	1000218547	/nfs/dbraw/zinc/21/85/47/1000218547.db2.gz	MLCORJIEHXLRSX-GOSISDBHSA-N	1	0	366.421	1.731	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1	ZINC000292729203	1000251622	/nfs/dbraw/zinc/25/16/22/1000251622.db2.gz	SQWNVQBZHXTJPW-UHFFFAOYSA-N	1	0	356.470	1.809	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1	ZINC000947034003	1001001364	/nfs/dbraw/zinc/00/13/64/1001001364.db2.gz	BAJUFLFODPJQSV-KURKYZTESA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CCC[C@H]([C@@H](C)[NH3+])C3)cc21	ZINC000927793154	1001051222	/nfs/dbraw/zinc/05/12/22/1001051222.db2.gz	QVIASBXKQXYKND-HIFRSBDPSA-N	1	0	355.442	1.747	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CCC[C@H]([C@H](C)[NH3+])C3)cc21	ZINC000927793156	1001051638	/nfs/dbraw/zinc/05/16/38/1001051638.db2.gz	QVIASBXKQXYKND-ZFWWWQNUSA-N	1	0	355.442	1.747	20	30		FDEDRO
N#CCCc1ccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1	ZINC000927843514	1001101993	/nfs/dbraw/zinc/10/19/93/1001101993.db2.gz	XPYFTFQANHPNOP-KGLIPLIRSA-N	1	0	368.359	1.819	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1	ZINC000927846225	1001108035	/nfs/dbraw/zinc/10/80/35/1001108035.db2.gz	CISHDTOHAJNRPW-MNOVXSKESA-N	1	0	358.295	1.374	20	30		FDEDRO
N#Cc1ccc(Cl)c(NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1	ZINC000927848347	1001114006	/nfs/dbraw/zinc/11/40/06/1001114006.db2.gz	SQSBMCWHXQMAJQ-PSASIEDQSA-N	1	0	360.723	1.498	20	30		FDEDRO
C[NH2+]CCN(C(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1)C(C)C	ZINC000927866869	1001149006	/nfs/dbraw/zinc/14/90/06/1001149006.db2.gz	IEMMYFQJPDIZRV-UHFFFAOYSA-N	1	0	364.449	1.876	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2	ZINC000927870357	1001157696	/nfs/dbraw/zinc/15/76/96/1001157696.db2.gz	RVPODOZSQSOODU-VQIMIIECSA-N	1	0	359.401	1.425	20	30		FDEDRO
N#CCCc1ccc(NC(=O)C(=O)NCCCCCN2CC[NH2+]CC2)cc1	ZINC000927871057	1001159203	/nfs/dbraw/zinc/15/92/03/1001159203.db2.gz	LUNRWKHGMSBROF-UHFFFAOYSA-N	1	0	371.485	1.273	20	30		FDEDRO
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1	ZINC000927881928	1001176594	/nfs/dbraw/zinc/17/65/94/1001176594.db2.gz	KLRWIHKGXGYDAP-FQEVSTJZSA-N	1	0	359.470	1.789	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)cc21	ZINC000927904385	1001206181	/nfs/dbraw/zinc/20/61/81/1001206181.db2.gz	KWKMLGNEWUOOJJ-LSDHHAIUSA-N	1	0	353.426	1.229	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2nnn(Cc3ccccc3)c2CC)CC1	ZINC000928648789	1001606915	/nfs/dbraw/zinc/60/69/15/1001606915.db2.gz	CCAZPLVKEPIXIW-UHFFFAOYSA-N	1	0	351.454	1.716	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)CC1	ZINC000928650731	1001608560	/nfs/dbraw/zinc/60/85/60/1001608560.db2.gz	HARQVISRIQMEIZ-SFHVURJKSA-N	1	0	354.454	1.897	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H](Cc2cccc(F)c2)n2nnnc2C)CC1	ZINC000928657630	1001613210	/nfs/dbraw/zinc/61/32/10/1001613210.db2.gz	QOGCFMWPJJTFMN-GOSISDBHSA-N	1	0	370.432	1.118	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccc3c(c2)C(=O)N(CC=C)C3=O)CC1	ZINC000928658529	1001614077	/nfs/dbraw/zinc/61/40/77/1001614077.db2.gz	KRDIHBRHLJVGGF-UHFFFAOYSA-N	1	0	351.406	1.296	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Cn2cnc3c4ccccc4oc3c2=O)CC1	ZINC000928658945	1001614442	/nfs/dbraw/zinc/61/44/42/1001614442.db2.gz	ZFWGVSSEOVGXDB-UHFFFAOYSA-N	1	0	364.405	1.357	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)CC1	ZINC000928717758	1001634585	/nfs/dbraw/zinc/63/45/85/1001634585.db2.gz	SAXBAMCWJZGXDZ-GOSISDBHSA-N	1	0	351.454	1.701	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H](C)CCc1ccccc1)C1CC[NH+](C)CC1	ZINC000929110789	1001755967	/nfs/dbraw/zinc/75/59/67/1001755967.db2.gz	IQLLQGNYDFBUON-QGZVFWFLSA-N	1	0	355.482	1.680	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@]2(C)CCCN(c3ccc(C#N)nn3)C2)CC[N@@H+]1C	ZINC001110963819	1001798659	/nfs/dbraw/zinc/79/86/59/1001798659.db2.gz	NDFXNEXZEYDNSL-QKLQHJQFSA-N	1	0	370.501	1.801	20	30		FDEDRO
Cn1cc(C2=NC[C@H](C[N@@H+]3CCCN(c4ccccc4C#N)CC3)O2)cn1	ZINC000929263331	1001876518	/nfs/dbraw/zinc/87/65/18/1001876518.db2.gz	LMVAHBHCARGRTE-GOSISDBHSA-N	1	0	364.453	1.649	20	30		FDEDRO
CC(C)C[NH+]1CCC(NC(=O)C(=O)N(C)Cc2cc(C#N)cs2)CC1	ZINC000929296968	1001911288	/nfs/dbraw/zinc/91/12/88/1001911288.db2.gz	HAFZSKLDPCBSQS-UHFFFAOYSA-N	1	0	362.499	1.815	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccc(C#N)cc1	ZINC000929379489	1001982125	/nfs/dbraw/zinc/98/21/25/1001982125.db2.gz	LVXHQSRZKIYKSR-KDOFPFPSSA-N	1	0	370.453	1.105	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)C2	ZINC001111273464	1002033848	/nfs/dbraw/zinc/03/38/48/1002033848.db2.gz	PTSRWVTZUYXWTL-FMKPAKJESA-N	1	0	372.473	1.723	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1	ZINC000948208992	1002179639	/nfs/dbraw/zinc/17/96/39/1002179639.db2.gz	HOMKFRXJUQBLFY-FSPWUOQZSA-N	1	0	369.469	1.337	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1	ZINC000929542899	1002186530	/nfs/dbraw/zinc/18/65/30/1002186530.db2.gz	IPOYURMOVZZMBL-LJQANCHMSA-N	1	0	374.460	1.645	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)CC1	ZINC000929544196	1002188861	/nfs/dbraw/zinc/18/88/61/1002188861.db2.gz	SDYQIMGTRPJMMB-LJQANCHMSA-N	1	0	356.470	1.506	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C3CC(F)(F)C3)C[C@H]2C)CC1	ZINC000948285402	1002225773	/nfs/dbraw/zinc/22/57/73/1002225773.db2.gz	BVPJLHCWVURSGS-CZUORRHYSA-N	1	0	367.440	1.340	20	30		FDEDRO
CCCC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2cc(C#N)cs2)CC1	ZINC000929836395	1002504564	/nfs/dbraw/zinc/50/45/64/1002504564.db2.gz	WQYMLJAROGSTTF-UHFFFAOYSA-N	1	0	362.499	1.959	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)CCCCCC)C2	ZINC001111278274	1002541237	/nfs/dbraw/zinc/54/12/37/1002541237.db2.gz	DOOMCIBFEQIWER-TWMKSMIVSA-N	1	0	351.466	1.766	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCNc2cccc(C)n2)CC1	ZINC000930009786	1002732876	/nfs/dbraw/zinc/73/28/76/1002732876.db2.gz	JFDHAMQPCNLWTL-UHFFFAOYSA-N	1	0	359.474	1.075	20	30		FDEDRO
C=C(C)C[N@@H+](C)C[C@H](O)COc1cn(-c2ccccc2)nc1C(=O)OC	ZINC000930243818	1002962391	/nfs/dbraw/zinc/96/23/91/1002962391.db2.gz	ISOWCLUXAXJSID-INIZCTEOSA-N	1	0	359.426	1.907	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](O)C1	ZINC000966006793	1016701464	/nfs/dbraw/zinc/70/14/64/1016701464.db2.gz	DBKCRRRZUHPJGW-SJORKVTESA-N	1	0	359.470	1.262	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)Nc2cc(Br)cn(C)c2=O)C1	ZINC000930294800	1003003692	/nfs/dbraw/zinc/00/36/92/1003003692.db2.gz	FUDHLNGXNJYELN-GFCCVEGCSA-N	1	0	367.247	1.367	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1OCCO[C@H]1C)CCO2	ZINC000949118227	1003008303	/nfs/dbraw/zinc/00/83/03/1003008303.db2.gz	JWIIFVILAGSKRJ-IRXDYDNUSA-N	1	0	352.475	1.450	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2C)cc1	ZINC000949313925	1003217644	/nfs/dbraw/zinc/21/76/44/1003217644.db2.gz	RPDVFRVPKJTOOJ-UIAACRFSSA-N	1	0	365.477	1.586	20	30		FDEDRO
C#C[C@](C)(CC)[NH2+]C[C@H](O)COc1cn(-c2ccccc2)nc1C(=O)OC	ZINC000930601180	1003313468	/nfs/dbraw/zinc/31/34/68/1003313468.db2.gz	QQSPQAUFPGQHIO-OXJNMPFZSA-N	1	0	371.437	1.790	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1C	ZINC000930641176	1003354055	/nfs/dbraw/zinc/35/40/55/1003354055.db2.gz	WKIYURBTBJHIDA-UHFFFAOYSA-N	1	0	372.469	1.544	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1C#N	ZINC000930717435	1003428924	/nfs/dbraw/zinc/42/89/24/1003428924.db2.gz	HVUDDSMQSZIXLV-SFHVURJKSA-N	1	0	354.454	1.616	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H](CC[NH+](C)C)c1cccnc1	ZINC000930769720	1003489312	/nfs/dbraw/zinc/48/93/12/1003489312.db2.gz	RFGABXNMZVLUGC-KSZLIROESA-N	1	0	374.485	1.288	20	30		FDEDRO
C#CC[C@H]1CCC[N@@H+](C[C@H](O)CC2(O)CCC(C(=O)OCC)CC2)C1	ZINC000930815976	1003538650	/nfs/dbraw/zinc/53/86/50/1003538650.db2.gz	HFBQTBWUHPEFLI-SARBKMAYSA-N	1	0	351.487	1.957	20	30		FDEDRO
C#CC[C@@H]1CCC[N@@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1	ZINC000930816700	1003539820	/nfs/dbraw/zinc/53/98/20/1003539820.db2.gz	NZGCGAHHKFUQMZ-HZPDHXFCSA-N	1	0	356.532	1.723	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@@H](O)C2)C1	ZINC000966368892	1016795463	/nfs/dbraw/zinc/79/54/63/1016795463.db2.gz	MKDFSLXECKCDME-ZACQAIPSSA-N	1	0	363.502	1.294	20	30		FDEDRO
COC[C@@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(F)c(C#N)c1	ZINC001111000710	1003644425	/nfs/dbraw/zinc/64/44/25/1003644425.db2.gz	REAJVZADZPKFEE-NRSFXHEJSA-N	1	0	361.417	1.580	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)Nc1cc(C(C)C)nn1-c1ncccn1	ZINC000930928420	1003671036	/nfs/dbraw/zinc/67/10/36/1003671036.db2.gz	FTTBLXHIBBPYGT-UHFFFAOYSA-N	1	0	355.446	1.862	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1cccc(C)c1OC)C1CC[NH+](C)CC1	ZINC000930952070	1003703797	/nfs/dbraw/zinc/70/37/97/1003703797.db2.gz	ZNGKJXIFWRMFSS-UHFFFAOYSA-N	1	0	357.454	1.176	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)CC1	ZINC000949864776	1003759380	/nfs/dbraw/zinc/75/93/80/1003759380.db2.gz	IJVMCZDAVBVLBN-FTWQHDNSSA-N	1	0	357.498	1.341	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)NC1CCC(C)([NH+]2CCCC2)CC1	ZINC000931094178	1003874076	/nfs/dbraw/zinc/87/40/76/1003874076.db2.gz	ODXYHDKAOUKGHC-VXESANQCSA-N	1	0	363.502	1.444	20	30		FDEDRO
COc1c(C)[nH]cc(C[N@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)c1=O	ZINC000931321849	1004054494	/nfs/dbraw/zinc/05/44/94/1004054494.db2.gz	IVGIWJGIGZDLIR-QGZVFWFLSA-N	1	0	371.437	1.630	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1	ZINC000931369570	1004090590	/nfs/dbraw/zinc/09/05/90/1004090590.db2.gz	IMAGBJGGUVUHLP-UHFFFAOYSA-N	1	0	370.450	1.153	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[NH+]2CCN(c3nnc(C)n3C)CC2)cc1	ZINC000931451752	1004173947	/nfs/dbraw/zinc/17/39/47/1004173947.db2.gz	AWJOROXGIBYEDT-UHFFFAOYSA-N	1	0	352.442	1.256	20	30		FDEDRO
CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2cc(C#N)ccc2F)C1	ZINC000931594064	1004297657	/nfs/dbraw/zinc/29/76/57/1004297657.db2.gz	GKJNZPMEWGQGCO-OAHLLOKOSA-N	1	0	360.433	1.504	20	30		FDEDRO
CCCS(=O)(=O)Nc1ccc(NC(=O)NCC#CC[NH+](C)C)c(F)c1	ZINC000931650763	1004369433	/nfs/dbraw/zinc/36/94/33/1004369433.db2.gz	TYIBLVSVVINHIR-UHFFFAOYSA-N	1	0	370.450	1.664	20	30		FDEDRO
COC(=O)[C@@H]1CCc2sc(NC(=O)NCC#CC[NH+](C)C)nc2C1	ZINC000931771013	1004483808	/nfs/dbraw/zinc/48/38/08/1004483808.db2.gz	ILUUMDGEOZSKLZ-LLVKDONJSA-N	1	0	350.444	1.108	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(CN3CCCC3)on1)C2	ZINC001111023277	1004761088	/nfs/dbraw/zinc/76/10/88/1004761088.db2.gz	BTYQAOXNNIQIMA-SUMDDJOVSA-N	1	0	374.485	1.808	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCC(c3ccn(C)n3)CC2)CC1	ZINC000932143744	1004792399	/nfs/dbraw/zinc/79/23/99/1004792399.db2.gz	IALYOCGJPQSYLW-IBGZPJMESA-N	1	0	372.517	1.292	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)c2nc(Br)c3ccccn32)CC1	ZINC000932179071	1004811022	/nfs/dbraw/zinc/81/10/22/1004811022.db2.gz	XPKDJWJRPZKWBE-UHFFFAOYSA-N	1	0	362.231	1.815	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCN(C(=O)Nc3cnn(Cc4ccc(C#N)cc4)c3)[C@@H]2C1	ZINC000932182988	1004813193	/nfs/dbraw/zinc/81/31/93/1004813193.db2.gz	OHTLRERSJYMAGH-FUHWJXTLSA-N	1	0	350.426	1.971	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)cc1C#N	ZINC000932475247	1004978029	/nfs/dbraw/zinc/97/80/29/1004978029.db2.gz	RGJSKXAWPROSGU-UHFFFAOYSA-N	1	0	356.470	1.673	20	30		FDEDRO
C=C(Cl)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@@H](C)[NH+]1CCCC1)C2	ZINC001111036935	1005084805	/nfs/dbraw/zinc/08/48/05/1005084805.db2.gz	ARKMYTGTSBSPDD-VQHPVUNQSA-N	1	0	355.910	1.961	20	30		FDEDRO
CC(C)(C)OC(=O)NCC[C@@H]1CC[N@H+](CC(=O)NC2(C#N)CCC2)C1	ZINC000932695700	1005104922	/nfs/dbraw/zinc/10/49/22/1005104922.db2.gz	AWPLKQDFXXLWJG-CQSZACIVSA-N	1	0	350.463	1.786	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C[C@]1(C)CCS(=O)(=O)N1)C(C)C	ZINC000932706606	1005113174	/nfs/dbraw/zinc/11/31/74/1005113174.db2.gz	BGINZJXVNFIYBC-WBVHZDCISA-N	1	0	357.520	1.273	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH+]2CCC3(CCNC(=O)O3)CC2)cc1	ZINC000932759301	1005151806	/nfs/dbraw/zinc/15/18/06/1005151806.db2.gz	LRZFSDNVFMPALZ-MRXNPFEDSA-N	1	0	359.426	1.457	20	30		FDEDRO
C[C@@H]1CN(C(=O)N[C@H](CC#N)C(F)(F)F)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000932909446	1005239453	/nfs/dbraw/zinc/23/94/53/1005239453.db2.gz	FHWKRDAAYRQTMG-HZSPNIEDSA-N	1	0	361.412	1.498	20	30		FDEDRO
COC(=O)[C@@H]1CC[N@H+](CCC(=O)N(C)CCC#N)[C@H]([C@H]2CCCO2)C1	ZINC000933183986	1005510866	/nfs/dbraw/zinc/51/08/66/1005510866.db2.gz	TYHNQZRBGNPZOX-OWCLPIDISA-N	1	0	351.447	1.181	20	30		FDEDRO
C#CCC1([NH2+]CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CCCCC1	ZINC000933265513	1005527377	/nfs/dbraw/zinc/52/73/77/1005527377.db2.gz	BUBQUCLBKXSWKS-UHFFFAOYSA-N	1	0	374.485	1.978	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N2CCN(C(=O)c3ccco3)CC2)CCCCC1	ZINC000933267576	1005527678	/nfs/dbraw/zinc/52/76/78/1005527678.db2.gz	KKUONCABYZOQSI-UHFFFAOYSA-N	1	0	357.454	1.880	20	30		FDEDRO
C#CCC1([NH2+]Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)CCCCC1	ZINC000933268774	1005528322	/nfs/dbraw/zinc/52/83/22/1005528322.db2.gz	FGZRGXUWSHJWRB-UHFFFAOYSA-N	1	0	373.482	1.882	20	30		FDEDRO
CCC1(CC)CNC(=O)[C@H]1[NH2+]CC#CCN1C(=O)c2ccccc2C1=O	ZINC000933283791	1005531981	/nfs/dbraw/zinc/53/19/81/1005531981.db2.gz	NGGJQSUMWKBFAO-MRXNPFEDSA-N	1	0	353.422	1.180	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N2CCN(Cc3ccc(OC)cc3)CC2)CCC1	ZINC000933297525	1005535436	/nfs/dbraw/zinc/53/54/36/1005535436.db2.gz	MFGCGIVYNOWAQN-UHFFFAOYSA-N	1	0	355.482	1.875	20	30		FDEDRO
N#Cc1ccc([C@@H]2CN(Cc3ccc(OCC(N)=O)cc3)CCO2)cc1	ZINC000933625862	1005591209	/nfs/dbraw/zinc/59/12/09/1005591209.db2.gz	ZAWLGWCNGOUEFK-IBGZPJMESA-N	1	0	351.406	1.996	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@](O)(C2(C(=O)OC)CCC2)C1	ZINC000933837917	1005644843	/nfs/dbraw/zinc/64/48/43/1005644843.db2.gz	BGCDJQJKBSVMET-IBGZPJMESA-N	1	0	350.459	1.357	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)C[NH2+]C1(C(=O)N2CCOCC2)CCCCC1	ZINC000934060126	1005684093	/nfs/dbraw/zinc/68/40/93/1005684093.db2.gz	JWODQBSBFXOLIA-GOSISDBHSA-N	1	0	364.490	1.192	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C	ZINC000934313848	1005731641	/nfs/dbraw/zinc/73/16/41/1005731641.db2.gz	RYKAEKAWYXZLLI-GOSISDBHSA-N	1	0	358.486	1.672	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)nc1	ZINC000954121392	1005979018	/nfs/dbraw/zinc/97/90/18/1005979018.db2.gz	ZGOGCPNLTFNORP-CRAIPNDOSA-N	1	0	368.481	1.466	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NC[C@](C)(O)c3ccccc3)=[NH+]C[C@H]2C1	ZINC000089120975	1006011262	/nfs/dbraw/zinc/01/12/62/1006011262.db2.gz	QQICNAGIDNIREJ-JXFKEZNVSA-N	1	0	374.485	1.775	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccnn1)C2	ZINC001111175222	1006627355	/nfs/dbraw/zinc/62/73/55/1006627355.db2.gz	UMYABAMDWYJDKR-AHCXZYCDSA-N	1	0	371.485	1.625	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(CCN2CCOCC2)c2ccccc2)CC1	ZINC000155303052	1006659948	/nfs/dbraw/zinc/65/99/48/1006659948.db2.gz	WVQGHGXUXNHVHC-UHFFFAOYSA-N	1	0	355.482	1.697	20	30		FDEDRO
CC[NH+]=C(NCCc1ccc(C)cc1)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000155842672	1006732421	/nfs/dbraw/zinc/73/24/21/1006732421.db2.gz	WHBAHSCVZSARSS-UHFFFAOYSA-N	1	0	368.485	1.585	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)CC(C)C)C2	ZINC001111192283	1006774702	/nfs/dbraw/zinc/77/47/02/1006774702.db2.gz	FWOSMJGSPWSVGY-FPCVCCKLSA-N	1	0	364.490	1.402	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)C2)CC1	ZINC000954500472	1006819019	/nfs/dbraw/zinc/81/90/19/1006819019.db2.gz	QENBNZDMLMUQSE-YSIASYRMSA-N	1	0	371.525	1.827	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN(C)S(=O)(=O)CC)C2	ZINC001111210240	1006893707	/nfs/dbraw/zinc/89/37/07/1006893707.db2.gz	YGWQXTSSUWZHKU-FPCVCCKLSA-N	1	0	357.520	1.344	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1	ZINC000954665507	1006948874	/nfs/dbraw/zinc/94/88/74/1006948874.db2.gz	RZCWCVMXOJOESE-ROUUACIJSA-N	1	0	363.502	1.369	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3C(C)(C)C)C2)CC1	ZINC000954898907	1007090949	/nfs/dbraw/zinc/09/09/49/1007090949.db2.gz	GDNOMIIYXFJSAM-QZTJIDSGSA-N	1	0	359.514	1.683	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)[C@]12CCC(=O)N1CCS2)C(C)C	ZINC000642243707	1007380306	/nfs/dbraw/zinc/38/03/06/1007380306.db2.gz	NHAHXHWNTWHUSJ-CRAIPNDOSA-N	1	0	351.516	1.867	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CC(=O)N(C)C1=O)C2	ZINC001111272269	1007465092	/nfs/dbraw/zinc/46/50/92/1007465092.db2.gz	JUCUAJYVFQHSBD-OAGGEKHMSA-N	1	0	364.490	1.572	20	30		FDEDRO
CCOc1cnc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cn1	ZINC000187988942	1007618378	/nfs/dbraw/zinc/61/83/78/1007618378.db2.gz	KTFPXMNLQFTSMS-UHFFFAOYSA-N	1	0	353.426	1.951	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@]2(C)CCN(C(=O)[C@@H]3C[C@H]3C3CCC3)C2)CC1	ZINC000957070225	1007648110	/nfs/dbraw/zinc/64/81/10/1007648110.db2.gz	OKJKQPRFUFOKLQ-NNMXDRDESA-N	1	0	371.525	1.875	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1	ZINC000947649879	1007781464	/nfs/dbraw/zinc/78/14/64/1007781464.db2.gz	JBURGLHDNMJOTL-KSZLIROESA-N	1	0	365.518	1.661	20	30		FDEDRO
Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1C[C@H](N2CCOCC2)C[C@H]1C	ZINC000795692848	1007979797	/nfs/dbraw/zinc/97/97/97/1007979797.db2.gz	RDJIXVWZKXBGPR-DNVCBOLYSA-N	1	0	366.469	1.878	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1	ZINC000643477291	1008101221	/nfs/dbraw/zinc/10/12/21/1008101221.db2.gz	TVVUJGGSVSSPPV-AAEUAGOBSA-N	1	0	371.890	1.491	20	30		FDEDRO
CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CCN(C(=O)c2cc(C#N)c[nH]2)CC1	ZINC000956407097	1008119569	/nfs/dbraw/zinc/11/95/69/1008119569.db2.gz	KNIAOSPZEUGWSA-ZIAGYGMSSA-N	1	0	366.425	1.524	20	30		FDEDRO
C#Cc1ccc(C(=O)NC2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)nc1	ZINC000956438914	1008149111	/nfs/dbraw/zinc/14/91/11/1008149111.db2.gz	IZQQWXKFGRVFQF-NVXWUHKLSA-N	1	0	368.481	1.514	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1	ZINC000949951901	1008556395	/nfs/dbraw/zinc/55/63/95/1008556395.db2.gz	VYIXBCADOHJWCE-ZTFGCOKTSA-N	1	0	371.485	1.726	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)nn1	ZINC000648843027	1008673835	/nfs/dbraw/zinc/67/38/35/1008673835.db2.gz	TZLHZRCWDJFWOI-SJORKVTESA-N	1	0	355.442	1.077	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1	ZINC000950248422	1008954711	/nfs/dbraw/zinc/95/47/11/1008954711.db2.gz	WUZHTGGJEYILQW-SZVBFZGTSA-N	1	0	369.465	1.370	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H]([NH2+]CC2CCS(=O)(=O)CC2)C1	ZINC000779416506	1009131135	/nfs/dbraw/zinc/13/11/35/1009131135.db2.gz	NZVIGQGSINBULE-KGLIPLIRSA-N	1	0	357.476	1.160	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3ccncc3C)C[C@H]2C)CC1	ZINC000950537907	1009278375	/nfs/dbraw/zinc/27/83/75/1009278375.db2.gz	NLTPSHCDMSBNFP-VQIMIIECSA-N	1	0	368.481	1.312	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnn(C(C)C)c2)C1	ZINC000950648584	1009468447	/nfs/dbraw/zinc/46/84/47/1009468447.db2.gz	RVYMMRHTHGKBNI-NXHRZFHOSA-N	1	0	371.485	1.138	20	30		FDEDRO
C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC000950701205	1009534063	/nfs/dbraw/zinc/53/40/63/1009534063.db2.gz	SLHGSMHIDHOQOE-RHSMWYFYSA-N	1	0	369.469	1.339	20	30		FDEDRO
C[C@H]1CCCN(C(=[NH2+])NCc2ccccc2OCCN2CCOCC2)C1	ZINC000303878075	1009646929	/nfs/dbraw/zinc/64/69/29/1009646929.db2.gz	IZBMCZKYKJOOMA-KRWDZBQOSA-N	1	0	360.502	1.944	20	30		FDEDRO
CC[C@@H]1OCC[C@H]1C(=O)NCC[NH+]1CCC(Nc2ccncc2C#N)CC1	ZINC001111332273	1009682860	/nfs/dbraw/zinc/68/28/60/1009682860.db2.gz	XZWQRAFLNGEDDM-MJGOQNOKSA-N	1	0	371.485	1.183	20	30		FDEDRO
C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1	ZINC000960305400	1009953758	/nfs/dbraw/zinc/95/37/58/1009953758.db2.gz	FCBUVLNAFOZKKW-ZJPYXAASSA-N	1	0	357.454	1.180	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1	ZINC000950947087	1010088803	/nfs/dbraw/zinc/08/88/03/1010088803.db2.gz	HEGSIAFBEIQVAB-LNLFQRSKSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C1	ZINC000960407599	1010141603	/nfs/dbraw/zinc/14/16/03/1010141603.db2.gz	DUEKFHOYUTYNJS-SOUVJXGZSA-N	1	0	369.893	1.155	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1	ZINC000960407319	1010142066	/nfs/dbraw/zinc/14/20/66/1010142066.db2.gz	CAYQNHYSGDEUOV-LSDHHAIUSA-N	1	0	369.893	1.299	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000950986782	1010220329	/nfs/dbraw/zinc/22/03/29/1010220329.db2.gz	HHFPNOGDKGSWFZ-BRWVUGGUSA-N	1	0	358.486	1.735	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C	ZINC000950987786	1010228575	/nfs/dbraw/zinc/22/85/75/1010228575.db2.gz	JNUXBWMDRPVBHE-NSISKUIASA-N	1	0	367.493	1.658	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C	ZINC000959656865	1010387351	/nfs/dbraw/zinc/38/73/51/1010387351.db2.gz	TWFAKPOWYRHLMG-BRWVUGGUSA-N	1	0	358.486	1.593	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)C1CCCCC1)C2	ZINC001111353367	1010408502	/nfs/dbraw/zinc/40/85/02/1010408502.db2.gz	VZZWRNWZZWYSOO-KURKYZTESA-N	1	0	363.502	1.607	20	30		FDEDRO
CCCNC(=[NH2+])NCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1	ZINC000304755207	1010477843	/nfs/dbraw/zinc/47/78/43/1010477843.db2.gz	MMUGPRJLSRZKLS-UHFFFAOYSA-N	1	0	362.474	1.683	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC2CN(C(=O)OC(C)(C)C)C2)CC1	ZINC000304813859	1010498317	/nfs/dbraw/zinc/49/83/17/1010498317.db2.gz	QFDSQIUFNRILHZ-UHFFFAOYSA-N	1	0	369.466	1.131	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC[C@@H]1CN(C)Cc1ccccc1C#N	ZINC000960684192	1010598816	/nfs/dbraw/zinc/59/88/16/1010598816.db2.gz	PMCBFECRGHLTGW-IPELMVKDSA-N	1	0	357.454	1.785	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2	ZINC000951240734	1010637962	/nfs/dbraw/zinc/63/79/62/1010637962.db2.gz	JTRIPAOYQWTHFU-IKGGRYGDSA-N	1	0	361.486	1.171	20	30		FDEDRO
C#C[C@H](NC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCO1	ZINC000779659953	1010682295	/nfs/dbraw/zinc/68/22/95/1010682295.db2.gz	DPTSBOGWUQEBTL-IRFCIJBXSA-N	1	0	371.481	1.446	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCCN3C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC000962953080	1011707653	/nfs/dbraw/zinc/70/76/53/1011707653.db2.gz	DWGLNFAMHSSULL-NKGKWGDASA-N	1	0	369.469	1.432	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2	ZINC001111408121	1012196449	/nfs/dbraw/zinc/19/64/49/1012196449.db2.gz	JPYHONFJKDKEGW-KURKYZTESA-N	1	0	360.502	1.004	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CCN(C(=O)C#CC4CC4)C3)C2)CC[N@@H+]1C	ZINC000953168643	1012298354	/nfs/dbraw/zinc/29/83/54/1012298354.db2.gz	RRCNMKCAAZMWKR-UEXGIBASSA-N	1	0	357.498	1.581	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1	ZINC000953173064	1012303531	/nfs/dbraw/zinc/30/35/31/1012303531.db2.gz	SHBVMXPRDIBMTP-UWVAXJGDSA-N	1	0	361.486	1.124	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2	ZINC000636114226	1012738564	/nfs/dbraw/zinc/73/85/64/1012738564.db2.gz	XZIYSXXRHGVJFH-SVFBPWRDSA-N	1	0	356.466	1.416	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc4c3CCOC4)C[C@H]21	ZINC000961816973	1012884302	/nfs/dbraw/zinc/88/43/02/1012884302.db2.gz	RETRZKRPELKWBJ-MJCUULBUSA-N	1	0	368.477	1.897	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2cc3n(n2)CCC3)C1	ZINC000961853950	1012945254	/nfs/dbraw/zinc/94/52/54/1012945254.db2.gz	UJFDSASJWQEPCL-FUICEZJUSA-N	1	0	358.486	1.795	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)cc1	ZINC000796513059	1017395720	/nfs/dbraw/zinc/39/57/20/1017395720.db2.gz	JFLIZOBOGMYRLR-GOSISDBHSA-N	1	0	364.515	1.940	20	30		FDEDRO
Cn1cc(CN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1C#N	ZINC000191208651	178046018	/nfs/dbraw/zinc/04/60/18/178046018.db2.gz	NWBIFYVAZCFOBE-UHFFFAOYSA-N	1	0	352.394	1.583	20	30		FDEDRO
CN1CC[NH+](CC2CCN(C(=O)NCc3ccc(C#N)cc3)CC2)CC1	ZINC000192149727	178097385	/nfs/dbraw/zinc/09/73/85/178097385.db2.gz	DCSPDIWFCRIOEU-UHFFFAOYSA-N	1	0	355.486	1.727	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)ccn1	ZINC000193596599	178170672	/nfs/dbraw/zinc/17/06/72/178170672.db2.gz	FGVGKIXEJSFXJF-IEBWSBKVSA-N	1	0	350.422	1.566	20	30		FDEDRO
C[C@H]1CCNC(=O)[C@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000193643715	178174527	/nfs/dbraw/zinc/17/45/27/178174527.db2.gz	CJSOMWFSHBSFCG-ZBEGNZNMSA-N	1	0	360.483	1.941	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1	ZINC000193769711	178180379	/nfs/dbraw/zinc/18/03/79/178180379.db2.gz	DTZBYCPFKAAXPV-UHFFFAOYSA-N	1	0	368.485	1.659	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1	ZINC000245934129	178390202	/nfs/dbraw/zinc/39/02/02/178390202.db2.gz	ZESLTDDWQKABBJ-ILZDJORESA-N	1	0	369.465	1.773	20	30		FDEDRO
C[N@@H+]1CC[C@H](NC(=O)CNC(=O)c2ccc(C#N)cc2)[C@H]1c1ccccc1	ZINC000245988924	178393784	/nfs/dbraw/zinc/39/37/84/178393784.db2.gz	WNCKXKBNWQADPV-AZUAARDMSA-N	1	0	362.433	1.850	20	30		FDEDRO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](CO)C[NH+]1CCCCC1	ZINC000512389333	538973773	/nfs/dbraw/zinc/97/37/73/538973773.db2.gz	JYSWOFCIZGMZPI-PKOBYXMFSA-N	1	0	359.470	1.925	20	30		FDEDRO
CCC(CC)(NC(=O)C1C[NH+](CCOc2cccc(C#N)c2)C1)C(N)=O	ZINC000513273364	538992213	/nfs/dbraw/zinc/99/22/13/538992213.db2.gz	WQSMYMXJDNGGFI-UHFFFAOYSA-N	1	0	358.442	1.029	20	30		FDEDRO
Cn1ncc(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)c1C#N	ZINC000516697486	539025919	/nfs/dbraw/zinc/02/59/19/539025919.db2.gz	VGSOPQBEHYEBPW-UHFFFAOYSA-N	1	0	358.833	1.949	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1	ZINC000517025387	539342747	/nfs/dbraw/zinc/34/27/47/539342747.db2.gz	QESBQKIMAGVFQF-CVEARBPZSA-N	1	0	366.456	1.725	20	30		FDEDRO
CC[NH+](CC)[C@@H](CNC(=O)NCC(=O)NCC#N)c1cccc(OC)c1	ZINC000519558256	539492231	/nfs/dbraw/zinc/49/22/31/539492231.db2.gz	JFOLXWPKPHYVKV-INIZCTEOSA-N	1	0	361.446	1.017	20	30		FDEDRO
CC[NH+](CC)CCN(CCOC)S(=O)(=O)Cc1cccc(C#N)c1	ZINC000264458731	179113457	/nfs/dbraw/zinc/11/34/57/179113457.db2.gz	GKFUFLZULTZIBN-UHFFFAOYSA-N	1	0	353.488	1.678	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@H+](C)C1CCCCC1	ZINC000522772879	539580199	/nfs/dbraw/zinc/58/01/99/539580199.db2.gz	BQPQKVAWIUEKKO-UHFFFAOYSA-N	1	0	358.442	1.886	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCc1nc2ccccc2n1C	ZINC000268347433	180058887	/nfs/dbraw/zinc/05/88/87/180058887.db2.gz	QOTDGFANFRJFFW-HNNXBMFYSA-N	1	0	361.453	1.988	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNc2nccc(C#N)c2[N+](=O)[O-])c1	ZINC000268459012	180086987	/nfs/dbraw/zinc/08/69/87/180086987.db2.gz	HKTKJRQYAANGTB-UHFFFAOYSA-N	1	0	368.397	1.765	20	30		FDEDRO
C[C@H]1CN(CC#CCN2C(=O)c3ccccc3C2=O)CC[N@@H+](C2CC2)C1	ZINC000528514034	539765042	/nfs/dbraw/zinc/76/50/42/539765042.db2.gz	IXXCLNRFWPXNMP-INIZCTEOSA-N	1	0	351.450	1.702	20	30		FDEDRO
CC(C)[N@H+](C)CCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000268782561	180158997	/nfs/dbraw/zinc/15/89/97/180158997.db2.gz	UOBAXNZCLNXCAQ-CQSZACIVSA-N	1	0	366.487	1.072	20	30		FDEDRO
N#Cc1ccc(C[NH2+]Cc2ccc(C(=O)N3CCNC(=O)C3)cc2)c(F)c1	ZINC000269389706	180292140	/nfs/dbraw/zinc/29/21/40/180292140.db2.gz	CFNCNEZKJOVVAU-UHFFFAOYSA-N	1	0	366.396	1.559	20	30		FDEDRO
C[C@H]1C[N@H+](CCOc2cccc(C#N)c2)CCN1c1nccn2cnnc12	ZINC000269613139	180340859	/nfs/dbraw/zinc/34/08/59/180340859.db2.gz	BXPACOAHAMSKRP-HNNXBMFYSA-N	1	0	363.425	1.585	20	30		FDEDRO
CNC(=O)CN1CCC(NC(=O)NC2(c3cccc(C#N)c3)CC2)CC1	ZINC000269728718	180372621	/nfs/dbraw/zinc/37/26/21/180372621.db2.gz	UOWPFGIOTCMSDH-UHFFFAOYSA-N	1	0	355.442	1.057	20	30		FDEDRO
CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000529322525	539818396	/nfs/dbraw/zinc/81/83/96/539818396.db2.gz	MFYRBDQZGHYLAM-ROUUACIJSA-N	1	0	369.469	1.299	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)N[C@@H]3CC[NH2+]C34CCC4)CC2)cc1	ZINC000529369787	539827647	/nfs/dbraw/zinc/82/76/47/539827647.db2.gz	YZPOCFMTXMEMME-GOSISDBHSA-N	1	0	353.470	1.670	20	30		FDEDRO
N#Cc1cn(CC(=O)NC2CC[NH+](C3CC3)CC2)c(=O)c2sccc21	ZINC000530124509	539888959	/nfs/dbraw/zinc/88/89/59/539888959.db2.gz	FJGMHRIDVWRPED-UHFFFAOYSA-N	1	0	356.451	1.678	20	30		FDEDRO
Cn1nccc1[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2C#N)CCO1	ZINC000530233090	539916378	/nfs/dbraw/zinc/91/63/78/539916378.db2.gz	HFRZXFRRDXNSKC-GJYPPUQNSA-N	1	0	356.426	1.541	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC(=O)N(c2ccccc2F)C1	ZINC000530233430	539916742	/nfs/dbraw/zinc/91/67/42/539916742.db2.gz	JDBXMIMUQMGUFF-HZPDHXFCSA-N	1	0	369.396	1.832	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCCN(c2ncccn2)C1	ZINC000530229976	539914496	/nfs/dbraw/zinc/91/44/96/539914496.db2.gz	CDRBPQQSSFOJHK-IAGOWNOFSA-N	1	0	353.426	1.347	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CC(=O)N(c2ccccc2)C1	ZINC000530229785	539914553	/nfs/dbraw/zinc/91/45/53/539914553.db2.gz	AEOFZHMSCHUOKR-AEFFLSMTSA-N	1	0	351.406	1.693	20	30		FDEDRO
C[N@H+]1CC=C(CNS(=O)(=O)c2cc(Br)cc(C#N)c2)CC1	ZINC000273964026	181004412	/nfs/dbraw/zinc/00/44/12/181004412.db2.gz	OGPKOZGAZJXZFE-UHFFFAOYSA-N	1	0	370.272	1.861	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)cc2C1=O	ZINC000530766902	540038578	/nfs/dbraw/zinc/03/85/78/540038578.db2.gz	FGFNRHWHJABNQL-OCCSQVGLSA-N	1	0	353.422	1.824	20	30		FDEDRO
C=C(C)COCCNC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000531635101	540109434	/nfs/dbraw/zinc/10/94/34/540109434.db2.gz	YABWAGLOWJBJBD-LJQANCHMSA-N	1	0	360.502	1.867	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)n(CCC#N)n1	ZINC000532600260	540175626	/nfs/dbraw/zinc/17/56/26/540175626.db2.gz	BXCOSSGDFQWIGD-DZGCQCFKSA-N	1	0	360.462	1.280	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1	ZINC000546893738	542253538	/nfs/dbraw/zinc/25/35/38/542253538.db2.gz	FBTGWBAPGJDQOT-QGZVFWFLSA-N	1	0	370.501	1.763	20	30		FDEDRO
CS[C@@H]1CN(CC(=O)NCc2ccc(C#N)cc2)C[C@@H]1[NH+]1CCCC1	ZINC000275074698	181231487	/nfs/dbraw/zinc/23/14/87/181231487.db2.gz	LWYJZQBHECBTEB-ZWKOTPCHSA-N	1	0	358.511	1.686	20	30		FDEDRO
N#Cc1cnc(C(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c(Cl)c1	ZINC000534130622	540327917	/nfs/dbraw/zinc/32/79/17/540327917.db2.gz	RCQAGBYGYRNSGT-CVEARBPZSA-N	1	0	370.840	1.972	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1	ZINC000268828484	674100488	/nfs/dbraw/zinc/10/04/88/674100488.db2.gz	RONBPRQKALECAA-OAHLLOKOSA-N	1	0	365.499	1.507	20	30		FDEDRO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)[C@H]3CCNC3=O)sc2C1	ZINC000535379919	540469663	/nfs/dbraw/zinc/46/96/63/540469663.db2.gz	LPZBNLLQARUMJU-FZMZJTMJSA-N	1	0	360.483	1.893	20	30		FDEDRO
C=CC[C@@H](CO)CNC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1	ZINC000537110213	540686540	/nfs/dbraw/zinc/68/65/40/540686540.db2.gz	PXOVBPZNTHILAY-MRXNPFEDSA-N	1	0	353.507	1.894	20	30		FDEDRO
CCC(CC)(C[NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)C(=O)OC	ZINC000538139821	540815484	/nfs/dbraw/zinc/81/54/84/540815484.db2.gz	YBQVKWAJIXHHER-MRXNPFEDSA-N	1	0	366.506	1.248	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1	ZINC000538260955	540833240	/nfs/dbraw/zinc/83/32/40/540833240.db2.gz	LFYZUZYJYHYKPG-UHFFFAOYSA-N	1	0	360.458	1.273	20	30		FDEDRO
Cc1cc(=NC(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)[nH]n1CCC#N	ZINC000539716881	540985082	/nfs/dbraw/zinc/98/50/82/540985082.db2.gz	ADFGEURQEYSLHW-KRWDZBQOSA-N	1	0	373.505	1.737	20	30		FDEDRO
C=CC[C@H](CO)CNC(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1	ZINC000540389340	541053340	/nfs/dbraw/zinc/05/33/40/541053340.db2.gz	JKOITKNKJLRQGV-KRWDZBQOSA-N	1	0	361.490	1.207	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@@H]4[C@H]3CCCN4CCO)C2=O)cc1	ZINC000934263992	781941452	/nfs/dbraw/zinc/94/14/52/781941452.db2.gz	LGANVAXTSJSHRG-QRVBRYPASA-N	1	0	354.454	1.195	20	30		FDEDRO
C=CCOc1ccc(C[NH2+][C@@H](C)C(=O)NC[C@H]2CCS(=O)(=O)C2)cc1	ZINC000540602772	541080179	/nfs/dbraw/zinc/08/01/79/541080179.db2.gz	QDFYJYMVVSYWNM-GOEBONIOSA-N	1	0	366.483	1.280	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1	ZINC000269201942	674107572	/nfs/dbraw/zinc/10/75/72/674107572.db2.gz	MVUAMJNEOMSFBX-DZGCQCFKSA-N	1	0	351.472	1.269	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1cc(C)c(=O)n(C)c1)C(C)C	ZINC000541956747	541307212	/nfs/dbraw/zinc/30/72/12/541307212.db2.gz	ABWNGXBMBPUBSX-KRWDZBQOSA-N	1	0	374.485	1.447	20	30		FDEDRO
O=C(C[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000542252759	541365360	/nfs/dbraw/zinc/36/53/60/541365360.db2.gz	DBABKNHUOYSDLU-USXIJHARSA-N	1	0	366.383	1.876	20	30		FDEDRO
COC[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C(C)C	ZINC000542526740	541420239	/nfs/dbraw/zinc/42/02/39/541420239.db2.gz	SXKCNMOHINOLRP-HZPDHXFCSA-N	1	0	364.515	1.718	20	30		FDEDRO
CN(CCC[NH+](C)C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000542757879	541461264	/nfs/dbraw/zinc/46/12/64/541461264.db2.gz	RPLFQWGBEXDZMT-KRWDZBQOSA-N	1	0	357.458	1.647	20	30		FDEDRO
CC(C)[NH+](CCNC(=O)C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1)C(C)C	ZINC000542776758	541467772	/nfs/dbraw/zinc/46/77/72/541467772.db2.gz	YXNPTDSHZXECGJ-UHFFFAOYSA-N	1	0	373.501	1.974	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H](CC(N)=O)C2CCOCC2)c(OC(F)F)c1	ZINC000544461041	541771003	/nfs/dbraw/zinc/77/10/03/541771003.db2.gz	DZCSIXSLETXMQZ-AWEZNQCLSA-N	1	0	353.369	1.920	20	30		FDEDRO
CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2ccc(C#N)c(C)c2)CC1	ZINC000278053472	181899546	/nfs/dbraw/zinc/89/95/46/181899546.db2.gz	RSIIIXKMIGHAKE-OAHLLOKOSA-N	1	0	364.515	1.419	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1	ZINC000545296494	541928383	/nfs/dbraw/zinc/92/83/83/541928383.db2.gz	TXJSJSQHQDRMPA-KRWDZBQOSA-N	1	0	359.474	1.960	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCN(C2CCOCC2)CC1)c1ccc(C#N)cc1	ZINC000284044205	182346667	/nfs/dbraw/zinc/34/66/67/182346667.db2.gz	PQQVWLYUNSQAMF-HNNXBMFYSA-N	1	0	370.453	1.059	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1	ZINC000284170516	182387693	/nfs/dbraw/zinc/38/76/93/182387693.db2.gz	SUPQWGRQVABFOJ-GOSISDBHSA-N	1	0	360.483	1.070	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C	ZINC000545906018	542046110	/nfs/dbraw/zinc/04/61/10/542046110.db2.gz	LXMIZKRZRSJQST-MRXNPFEDSA-N	1	0	367.457	2.395	20	30		FDEDRO
CC[NH+](CC)CCOCCNC(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000546042030	542082715	/nfs/dbraw/zinc/08/27/15/542082715.db2.gz	SWCMZQCGKDCTOE-UHFFFAOYSA-N	1	0	374.489	1.143	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](C(=O)NCCC[NH+]3CCC(O)CC3)C2)c(F)c1	ZINC000286321945	183039701	/nfs/dbraw/zinc/03/97/01/183039701.db2.gz	QBJGVNMHMOFSHD-INIZCTEOSA-N	1	0	374.460	1.487	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NCC[N@H+]3CC=C(C)CC3)cc2C1=O	ZINC000546576229	542170655	/nfs/dbraw/zinc/17/06/55/542170655.db2.gz	LIWZBWNOAHRGMC-UHFFFAOYSA-N	1	0	353.422	1.850	20	30		FDEDRO
C[C@@H](O)CN1CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1	ZINC000286897884	183168677	/nfs/dbraw/zinc/16/86/77/183168677.db2.gz	XVHKBVDSNUGUBV-OAHLLOKOSA-N	1	0	374.460	1.439	20	30		FDEDRO
N#Cc1c(NC(=O)CC[N@H+]2CCOC[C@H](O)C2)sc2c1CCCCC2	ZINC000295668271	184092821	/nfs/dbraw/zinc/09/28/21/184092821.db2.gz	RBTUARANMFCNBG-CYBMUJFWSA-N	1	0	363.483	1.910	20	30		FDEDRO
N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CCCN(CCCO)C1	ZINC000296148745	184134928	/nfs/dbraw/zinc/13/49/28/184134928.db2.gz	JQBMZCXZIQVKOW-CQSZACIVSA-N	1	0	357.863	1.337	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)c1	ZINC000286211630	675892637	/nfs/dbraw/zinc/89/26/37/675892637.db2.gz	SQLHHVPTIGIJBE-DVOMOZLQSA-N	1	0	351.472	1.267	20	30		FDEDRO
Cc1nn(C)c(N2CC[NH+](C[C@@H](O)CCc3ccccc3)CC2)c1C#N	ZINC000472161474	781993043	/nfs/dbraw/zinc/99/30/43/781993043.db2.gz	LUDBDBIXTDJKMQ-SFHVURJKSA-N	1	0	353.470	1.716	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC(C(=O)NCC[NH+](C)C)CC1	ZINC000171658804	258268235	/nfs/dbraw/zinc/26/82/35/258268235.db2.gz	HGUVXWXIFUPTFR-OAHLLOKOSA-N	1	0	371.485	1.275	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]C2CCN(C(=O)C3CC3)CC2)c1	ZINC000548908379	542803242	/nfs/dbraw/zinc/80/32/42/542803242.db2.gz	SOWVBUMDDBKUIB-UHFFFAOYSA-N	1	0	361.467	1.323	20	30		FDEDRO
Cc1ccc2nc(C[N@H+](C)CCCc3[nH]nc(N)c3C#N)cc(=O)n2c1	ZINC000551100505	543232845	/nfs/dbraw/zinc/23/28/45/543232845.db2.gz	CUAYSXWMCBDISW-UHFFFAOYSA-N	1	0	351.414	1.245	20	30		FDEDRO
C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C[C@@H](C)C1	ZINC000551693558	543323483	/nfs/dbraw/zinc/32/34/83/543323483.db2.gz	YZTFTIJVWFVLFY-OGHNNQOOSA-N	1	0	358.417	1.825	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000551693641	543323561	/nfs/dbraw/zinc/32/35/61/543323561.db2.gz	QVCLLHGXMBLYNR-RTBURBONSA-N	1	0	364.449	1.875	20	30		FDEDRO
COCCO[C@H]1COCC[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1	ZINC000552066334	543413401	/nfs/dbraw/zinc/41/34/01/543413401.db2.gz	GATVWYSGWNCOCT-PMACEKPBSA-N	1	0	359.470	1.937	20	30		FDEDRO
N#Cc1cc(F)cc(C2(C(=O)N3CC[C@H](C[NH+]4CCOCC4)C3)CC2)c1	ZINC000552254604	543443739	/nfs/dbraw/zinc/44/37/39/543443739.db2.gz	MWQRVMVZGSDOLT-OAHLLOKOSA-N	1	0	357.429	1.910	20	30		FDEDRO
N#CCCCCNC(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1	ZINC000552425725	543465232	/nfs/dbraw/zinc/46/52/32/543465232.db2.gz	GWPFRMXFPURFCC-SFHVURJKSA-N	1	0	356.470	1.477	20	30		FDEDRO
C[N@@H+]1CC[C@@](O)(CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1	ZINC000552433861	543466501	/nfs/dbraw/zinc/46/65/01/543466501.db2.gz	FHFZSZMUXWWAPE-LJQANCHMSA-N	1	0	360.433	1.097	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1	ZINC000552520222	543479985	/nfs/dbraw/zinc/47/99/85/543479985.db2.gz	MSIZALMGGNKNPS-ZBFHGGJFSA-N	1	0	351.516	1.497	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCCOC2CCCC2)CC1	ZINC000552884724	543532449	/nfs/dbraw/zinc/53/24/49/543532449.db2.gz	IQEOMDJGWJUKPJ-UHFFFAOYSA-N	1	0	351.491	1.609	20	30		FDEDRO
CC(C)[C@@H](CNS(=O)(=O)Cc1cccc(C#N)c1)N1CC[NH+](C)CC1	ZINC000173453004	258299982	/nfs/dbraw/zinc/29/99/82/258299982.db2.gz	POVOAIKEHCSTST-GOSISDBHSA-N	1	0	364.515	1.250	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H](C)CN1CC[NH+](C)CC1	ZINC000173456082	258300022	/nfs/dbraw/zinc/30/00/22/258300022.db2.gz	ONNVDOUNXJBAPA-AWEZNQCLSA-N	1	0	350.488	1.029	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](N3CCC[C@H](C[NH+]4CCOCC4)C3)C2=O)cc1	ZINC000069856849	172033143	/nfs/dbraw/zinc/03/31/43/172033143.db2.gz	KUPSAPMQEJGICS-QUCCMNQESA-N	1	0	368.481	1.708	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000069804605	172033457	/nfs/dbraw/zinc/03/34/57/172033457.db2.gz	RXLVLOIOMNSFCI-DLBZAZTESA-N	1	0	356.470	1.929	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]([NH+](CC)CC)C1	ZINC000076667319	172114471	/nfs/dbraw/zinc/11/44/71/172114471.db2.gz	SDFXUZANCSAHOJ-OAHLLOKOSA-N	1	0	358.442	1.838	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2cc(C#N)cs2)c1	ZINC000084095215	172209284	/nfs/dbraw/zinc/20/92/84/172209284.db2.gz	QVLRSYGOPYTDBL-UHFFFAOYSA-N	1	0	356.451	1.841	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1	ZINC000091229303	172279873	/nfs/dbraw/zinc/27/98/73/172279873.db2.gz	CXPJMMJLRACQHM-AWEZNQCLSA-N	1	0	374.489	1.685	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)N2CCCN(c3ccccc3C#N)CC2)CC1	ZINC000101643437	172338671	/nfs/dbraw/zinc/33/86/71/172338671.db2.gz	XARYQEOMJNQKOL-UHFFFAOYSA-N	1	0	369.513	1.625	20	30		FDEDRO
COc1ccccc1C[N@H+](CCO)C[C@H](O)COc1ccc(C#N)cc1	ZINC000103143938	172360364	/nfs/dbraw/zinc/36/03/64/172360364.db2.gz	RSOQUHQMESTYLS-SFHVURJKSA-N	1	0	356.422	1.801	20	30		FDEDRO
N#Cc1ccccc1OCC[N@H+]1CCCN(CC(=O)N2CCCC2)CC1	ZINC000125655653	173013248	/nfs/dbraw/zinc/01/32/48/173013248.db2.gz	VFMQZKIYYYTZSC-UHFFFAOYSA-N	1	0	356.470	1.567	20	30		FDEDRO
N#Cc1ccc(NC(=O)CN2CC[C@H](C[NH+]3CCOCC3)C2)cc1Cl	ZINC000129193995	173131414	/nfs/dbraw/zinc/13/14/14/173131414.db2.gz	RULYLGDITPUKEW-CQSZACIVSA-N	1	0	362.861	1.804	20	30		FDEDRO
CN(CCC[NH+]1CCN(C)CC1)Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000129810948	173151418	/nfs/dbraw/zinc/15/14/18/173151418.db2.gz	CZDDGQGTQABDKU-UHFFFAOYSA-N	1	0	354.458	1.678	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1	ZINC000175984471	174041577	/nfs/dbraw/zinc/04/15/77/174041577.db2.gz	CSYPQTFQWGHXIX-UHFFFAOYSA-N	1	0	372.469	1.691	20	30		FDEDRO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000176843694	174090085	/nfs/dbraw/zinc/09/00/85/174090085.db2.gz	RTUGQDAEFYFGRJ-WBVHZDCISA-N	1	0	356.474	1.514	20	30		FDEDRO
Cn1cc(C[NH2+]C[C@](C)(O)CN2CCOCC2)c(-c2ccc(C#N)cc2)n1	ZINC000180246585	258364697	/nfs/dbraw/zinc/36/46/97/258364697.db2.gz	CIFSZNVFTOCZLR-FQEVSTJZSA-N	1	0	369.469	1.132	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1	ZINC000173794397	258310849	/nfs/dbraw/zinc/31/08/49/258310849.db2.gz	BCCPMFILARNWEX-GOSISDBHSA-N	1	0	372.469	1.691	20	30		FDEDRO
C[NH+](C)[C@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1	ZINC000278924349	258520646	/nfs/dbraw/zinc/52/06/46/258520646.db2.gz	WVWIIGCSMLSIOE-NSHDSACASA-N	1	0	358.261	1.645	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@]2(CCC)COC)CC1	ZINC000553396792	543626836	/nfs/dbraw/zinc/62/68/36/543626836.db2.gz	FQOVXORDVUXCBW-HXUWFJFHSA-N	1	0	365.518	1.951	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNc2cc(N)c([N+](=O)[O-])c(C#N)c2)ccn1	ZINC000553503563	543648244	/nfs/dbraw/zinc/64/82/44/543648244.db2.gz	BVQWMMKXTPEYMP-UHFFFAOYSA-N	1	0	356.386	1.996	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H](OCC)C23CCC3)CC1	ZINC000553372312	543620963	/nfs/dbraw/zinc/62/09/63/543620963.db2.gz	NRJUSIYIYJPFOX-IAGOWNOFSA-N	1	0	363.502	1.607	20	30		FDEDRO
C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCC(=O)NCC#N)cc2)C1	ZINC000553776731	543695284	/nfs/dbraw/zinc/69/52/84/543695284.db2.gz	TXKOTDKOBBEAAQ-HNNXBMFYSA-N	1	0	357.458	1.357	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC(C#N)CC2)CC[N@@H+]1Cc1ccccc1	ZINC000553528151	543652219	/nfs/dbraw/zinc/65/22/19/543652219.db2.gz	NLWPFYXJZUNUIC-LPHOPBHVSA-N	1	0	368.481	1.918	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2csc([C@@H](C)OC)n2)CC1	ZINC000553669972	543678180	/nfs/dbraw/zinc/67/81/80/543678180.db2.gz	RDQJYFXBHDOYNY-GFCCVEGCSA-N	1	0	366.487	1.233	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)o1	ZINC000553862294	543707086	/nfs/dbraw/zinc/70/70/86/543707086.db2.gz	RGAOHZNLZGYPJN-UHFFFAOYSA-N	1	0	367.471	1.664	20	30		FDEDRO
CN1CC[NH+](CCCCNC(=O)NC2(c3cccc(C#N)c3)CC2)CC1	ZINC000554508223	543813482	/nfs/dbraw/zinc/81/34/82/543813482.db2.gz	ZVYCEDPBENUKPT-UHFFFAOYSA-N	1	0	355.486	1.874	20	30		FDEDRO
COc1ccccc1[C@@H](C[NH2+]C[C@@H]1CNc2c(C#N)cnn2C1)N(C)C	ZINC000554523473	543816734	/nfs/dbraw/zinc/81/67/34/543816734.db2.gz	LEPDLJQUZAGETR-RHSMWYFYSA-N	1	0	354.458	1.698	20	30		FDEDRO
CC[NH+]1CCC(CCNC(=O)N2CCN(c3cnccc3C#N)CC2)CC1	ZINC000555558303	543973163	/nfs/dbraw/zinc/97/31/63/543973163.db2.gz	KRQZMXNVIBKFIW-UHFFFAOYSA-N	1	0	370.501	1.907	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1	ZINC000555739353	544017909	/nfs/dbraw/zinc/01/79/09/544017909.db2.gz	JMMTVPHUUUTUDG-SJORKVTESA-N	1	0	365.518	1.855	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)CCN(C)c3cc[nH+]cc3)CC2)c1C#N	ZINC000555629535	543991202	/nfs/dbraw/zinc/99/12/02/543991202.db2.gz	LFGHBVBWUUYTDI-UHFFFAOYSA-N	1	0	370.482	1.893	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCSC[C@@H]1C)C(C)C	ZINC000556207983	544117943	/nfs/dbraw/zinc/11/79/43/544117943.db2.gz	PJDBGWITWBDCAO-JKSUJKDBSA-N	1	0	353.532	1.765	20	30		FDEDRO
C=CCn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1	ZINC000556445360	544144993	/nfs/dbraw/zinc/14/49/93/544144993.db2.gz	ZEMWSMIQAKGXCI-IXDOHACOSA-N	1	0	372.517	1.867	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)[C@H](Cc1ccccc1)C(=O)OC	ZINC000556514331	544151558	/nfs/dbraw/zinc/15/15/58/544151558.db2.gz	BZLOBHRQBSUFCH-YCPHGPKFSA-N	1	0	361.442	1.397	20	30		FDEDRO
C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000557184610	544258910	/nfs/dbraw/zinc/25/89/10/544258910.db2.gz	VXPIBCQGUPTJCH-LYAPFXNSSA-N	1	0	357.458	1.940	20	30		FDEDRO
N#CC1(c2ccccn2)CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1	ZINC000557305995	544276154	/nfs/dbraw/zinc/27/61/54/544276154.db2.gz	MJRGCSDQVDHGSB-INIZCTEOSA-N	1	0	369.469	1.099	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2cccc(OCC(=O)NC)c2)CC1	ZINC000557319157	544278255	/nfs/dbraw/zinc/27/82/55/544278255.db2.gz	UARSRVSEDDGBGP-UHFFFAOYSA-N	1	0	360.458	1.261	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CCC)cc1	ZINC000557745048	544340734	/nfs/dbraw/zinc/34/07/34/544340734.db2.gz	IHMBGDZYAIAKMI-INIZCTEOSA-N	1	0	365.499	1.755	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCOC3(CCCCC3)C2)CC1	ZINC000557731427	544337565	/nfs/dbraw/zinc/33/75/65/544337565.db2.gz	OSXANSMFHRWSRL-QGZVFWFLSA-N	1	0	363.502	1.751	20	30		FDEDRO
CCN(CC[NH+]1CCCCCC1)C(=O)C(=O)Nc1cc(C)nn1CCC#N	ZINC000557835340	544351853	/nfs/dbraw/zinc/35/18/53/544351853.db2.gz	XGXVPALUZCRZTC-UHFFFAOYSA-N	1	0	374.489	1.768	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)NCCc2cccc(C#N)c2)CC1	ZINC000558088349	544382699	/nfs/dbraw/zinc/38/26/99/544382699.db2.gz	NUKKCBBSJDCYQQ-QGZVFWFLSA-N	1	0	357.502	1.674	20	30		FDEDRO
C[NH+](C)C[C@H](NC(=O)CNc1ccc(C#N)cn1)c1ccc(Cl)cc1	ZINC000558973834	544563186	/nfs/dbraw/zinc/56/31/86/544563186.db2.gz	UEGPCFXMBAULHK-INIZCTEOSA-N	1	0	357.845	2.438	20	30		FDEDRO
C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1sccc1C#N	ZINC000559597334	544737453	/nfs/dbraw/zinc/73/74/53/544737453.db2.gz	INKXQDYCJSCSOO-CYBMUJFWSA-N	1	0	350.444	1.127	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)C[NH+](C)C	ZINC000559973003	544857614	/nfs/dbraw/zinc/85/76/14/544857614.db2.gz	QVZAFEDHUDTIDK-SNVBAGLBSA-N	1	0	372.347	1.709	20	30		FDEDRO
CN1CC[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)[C@H]1c1ccccc1	ZINC000289478394	258825114	/nfs/dbraw/zinc/82/51/14/258825114.db2.gz	XSLHVGPBFJRIEG-IEBWSBKVSA-N	1	0	370.478	1.762	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1	ZINC000299683827	259016531	/nfs/dbraw/zinc/01/65/31/259016531.db2.gz	RZTBYDJXQIZLBL-UHFFFAOYSA-N	1	0	369.513	1.230	20	30		FDEDRO
Cn1c(NCCN2CCc3c(Cl)cccc3C2)c(C#N)c(=O)n(C)c1=O	ZINC000302710840	259044957	/nfs/dbraw/zinc/04/49/57/259044957.db2.gz	ZMRPDQOONDUZOI-UHFFFAOYSA-N	1	0	373.844	1.079	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](Nc3cc(-n4cccn4)nc(N)[nH+]3)C2=O)cc1	ZINC000302742093	259045300	/nfs/dbraw/zinc/04/53/00/259045300.db2.gz	RMHYRGZIMIMMLN-HNNXBMFYSA-N	1	0	374.408	1.329	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000329813803	259112359	/nfs/dbraw/zinc/11/23/59/259112359.db2.gz	CXKNPDNKRKYTPP-YVEFUNNKSA-N	1	0	350.426	1.539	20	30		FDEDRO
CC(=O)N[C@@H](C)C1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000331683967	259212802	/nfs/dbraw/zinc/21/28/02/259212802.db2.gz	QSAGOENJJAOIIN-IFXJQAMLSA-N	1	0	354.454	1.900	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(C(=O)CNc3ccc(C#N)cc3)CC2)CC1	ZINC000332018928	259235286	/nfs/dbraw/zinc/23/52/86/259235286.db2.gz	FJERFSGBCNAQHH-UHFFFAOYSA-N	1	0	369.513	1.987	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000332072003	259239104	/nfs/dbraw/zinc/23/91/04/259239104.db2.gz	WDFLQPKOTQCRIB-UWVAXJGDSA-N	1	0	369.513	1.843	20	30		FDEDRO
Cc1onc(CC(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1C#N	ZINC000332109083	259241950	/nfs/dbraw/zinc/24/19/50/259241950.db2.gz	FNGGRRHUQJGETM-UHFFFAOYSA-N	1	0	359.474	1.414	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000332331584	259257951	/nfs/dbraw/zinc/25/79/51/259257951.db2.gz	QWDQFOKGXVDSPL-RTBURBONSA-N	1	0	355.486	1.868	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC[N@@H+]1C	ZINC000332553236	259276791	/nfs/dbraw/zinc/27/67/91/259276791.db2.gz	QMPYVXHGADHBJS-QLFBSQMISA-N	1	0	357.462	1.051	20	30		FDEDRO
Cc1cc(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c(C#N)cc1N(C)C	ZINC000332606484	259281742	/nfs/dbraw/zinc/28/17/42/259281742.db2.gz	JMLBMAPVIYLMQO-HNNXBMFYSA-N	1	0	372.517	1.938	20	30		FDEDRO
CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000333071548	259305594	/nfs/dbraw/zinc/30/55/94/259305594.db2.gz	AASNAMAUHYZVFN-JSGCOSHPSA-N	1	0	360.483	1.941	20	30		FDEDRO
N#Cc1c(F)cccc1N1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1	ZINC000333893303	259390946	/nfs/dbraw/zinc/39/09/46/259390946.db2.gz	HKFPLMWEGIOAOE-HRCADAONSA-N	1	0	371.460	1.917	20	30		FDEDRO
N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N2CC[NH+](C3CCC3)CC2)c1	ZINC000365063149	259808720	/nfs/dbraw/zinc/80/87/20/259808720.db2.gz	NFBOHHJYFDHWET-IBGZPJMESA-N	1	0	366.465	1.746	20	30		FDEDRO
N#Cc1ccc(S(N)(=O)=O)cc1NC1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000367442733	260042300	/nfs/dbraw/zinc/04/23/00/260042300.db2.gz	KJEXYAHJPJVQOH-CYBMUJFWSA-N	1	0	364.471	1.118	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)N2C[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3)C2)n1	ZINC000367551654	260059799	/nfs/dbraw/zinc/05/97/99/260059799.db2.gz	LPFJQMJSXVPDLQ-IRXDYDNUSA-N	1	0	365.441	1.066	20	30		FDEDRO
CN1CC[NH+](C[C@H]2CCCN(CC(=O)NCc3cccc(C#N)c3)C2)CC1	ZINC000367671589	260075451	/nfs/dbraw/zinc/07/54/51/260075451.db2.gz	JXMLKZUZDLGCBU-HXUWFJFHSA-N	1	0	369.513	1.134	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21	ZINC000368021841	260124939	/nfs/dbraw/zinc/12/49/39/260124939.db2.gz	TYGYWSNSULYDKW-QAPCUYQASA-N	1	0	366.469	1.703	20	30		FDEDRO
Cn1cc([C@H]2C[C@H]2C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cn1	ZINC000368883880	260254233	/nfs/dbraw/zinc/25/42/33/260254233.db2.gz	JPTWIAFBUOAWDC-RTBURBONSA-N	1	0	351.454	1.986	20	30		FDEDRO
C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CCC(n2cnc(C#N)n2)CC1	ZINC000369314295	260338519	/nfs/dbraw/zinc/33/85/19/260338519.db2.gz	MOBOARVGZSGGKN-QGZVFWFLSA-N	1	0	352.442	1.486	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)c1	ZINC000373118643	260984741	/nfs/dbraw/zinc/98/47/41/260984741.db2.gz	UFHVDKWGEFBXPU-RTBURBONSA-N	1	0	356.470	1.407	20	30		FDEDRO
COc1cccc(NC(=O)CC[NH+]2CCC(n3cnc(C#N)n3)CC2)c1	ZINC000373405487	261007914	/nfs/dbraw/zinc/00/79/14/261007914.db2.gz	UCNLJVNURIVORM-UHFFFAOYSA-N	1	0	354.414	1.824	20	30		FDEDRO
N#Cc1ccc(OC2CN(C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)cc1	ZINC000373421415	261009482	/nfs/dbraw/zinc/00/94/82/261009482.db2.gz	HKFWEQANIJIDDW-RDJZCZTQSA-N	1	0	356.426	1.194	20	30		FDEDRO
CCOC(=O)C[C@@H]1C[C@H](OC)CN1CC(=O)NCc1cccc(C#N)c1	ZINC000373584128	261022647	/nfs/dbraw/zinc/02/26/47/261022647.db2.gz	KOPXXXPSTODSQX-IRXDYDNUSA-N	1	0	359.426	1.217	20	30		FDEDRO
C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1)C[NH+]1CCCC1	ZINC000373699254	261032416	/nfs/dbraw/zinc/03/24/16/261032416.db2.gz	HQOFVWIGQLLSSF-LPHOPBHVSA-N	1	0	368.481	1.897	20	30		FDEDRO
CC[N@H+](CCNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1)C1CC1	ZINC000373698623	261032653	/nfs/dbraw/zinc/03/26/53/261032653.db2.gz	URFVPFUZDQQDQO-GOSISDBHSA-N	1	0	354.454	1.650	20	30		FDEDRO
C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000373759009	261037830	/nfs/dbraw/zinc/03/78/30/261037830.db2.gz	SRYNFADIAZVXHK-QGZVFWFLSA-N	1	0	356.470	1.753	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000373845601	261046836	/nfs/dbraw/zinc/04/68/36/261046836.db2.gz	PEPBRASCRFGCNJ-GJZGRUSLSA-N	1	0	373.457	1.033	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1Cl	ZINC000373968069	261059142	/nfs/dbraw/zinc/05/91/42/261059142.db2.gz	JOLDXEGBTVRZJL-GJZGRUSLSA-N	1	0	362.817	1.130	20	30		FDEDRO
C[C@@H]1C[C@]2(CCO1)C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)C[C@@H](C)O2	ZINC000374027057	261067668	/nfs/dbraw/zinc/06/76/68/261067668.db2.gz	LMFGBKGAFDHHNL-QQTQMKHKSA-N	1	0	360.454	1.956	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCc2cccc(C#N)c2)CC1=O	ZINC000374057618	261071912	/nfs/dbraw/zinc/07/19/12/261071912.db2.gz	KLCKJTJFRDTRAD-RBUKOAKNSA-N	1	0	368.481	1.550	20	30		FDEDRO
C[C@H]1CN(C(=O)COc2ccc(C#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000374313867	261108930	/nfs/dbraw/zinc/10/89/30/261108930.db2.gz	BHHLJPJSSNWKFF-QFBILLFUSA-N	1	0	356.470	1.421	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@H]3[C@@H]3CCCO3)CC2)o1	ZINC000375339022	261317046	/nfs/dbraw/zinc/31/70/46/261317046.db2.gz	VQJRQQYFIBJOGE-IRXDYDNUSA-N	1	0	373.457	1.147	20	30		FDEDRO
Cc1oc(NC(=O)[C@H](C)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(C#N)c1C	ZINC000375794057	261426239	/nfs/dbraw/zinc/42/62/39/261426239.db2.gz	OKRWSTQPYYHOGM-RRQGHBQHSA-N	1	0	360.458	1.626	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)CC1	ZINC000378292665	262003446	/nfs/dbraw/zinc/00/34/46/262003446.db2.gz	KNPPMFHCSIWNGO-IBGZPJMESA-N	1	0	356.470	1.486	20	30		FDEDRO
C[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)n1cnc(C#N)n1	ZINC000409561622	262127535	/nfs/dbraw/zinc/12/75/35/262127535.db2.gz	HWRGSHOCGVLMGX-AWEZNQCLSA-N	1	0	352.442	1.664	20	30		FDEDRO
C[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1)[NH+]1CCCCCC1	ZINC000972085864	782044606	/nfs/dbraw/zinc/04/46/06/782044606.db2.gz	DMYLJHHZFUNOJN-QXAKKESOSA-N	1	0	357.498	1.724	20	30		FDEDRO
C=CCn1cc(CNC(=O)N2CC[NH2+]C[C@H]2c2cccc(OC)c2)nn1	ZINC000892194463	782126547	/nfs/dbraw/zinc/12/65/47/782126547.db2.gz	WLVYGUHBLZXETB-KRWDZBQOSA-N	1	0	356.430	1.329	20	30		FDEDRO
N#Cc1ccc(NCC(=O)NC2CC[NH+](Cc3ccccn3)CC2)nc1	ZINC000536549945	490590248	/nfs/dbraw/zinc/59/02/48/490590248.db2.gz	SQNCTRHHUSIPCN-UHFFFAOYSA-N	1	0	350.426	1.541	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1	ZINC000042596088	519697992	/nfs/dbraw/zinc/69/79/92/519697992.db2.gz	TXGCLGTVKVHSNT-IRXDYDNUSA-N	1	0	351.491	1.370	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000069122853	521811876	/nfs/dbraw/zinc/81/18/76/521811876.db2.gz	LPEDWBFMJFFOOF-HUUCEWRRSA-N	1	0	358.442	1.421	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C1CCN(C(=O)N2CCCC2)CC1	ZINC000069576352	521918505	/nfs/dbraw/zinc/91/85/05/521918505.db2.gz	RCGNASLOUHUQQD-UHFFFAOYSA-N	1	0	363.506	1.608	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1	ZINC000057140200	522011432	/nfs/dbraw/zinc/01/14/32/522011432.db2.gz	XMAGRGGSVZJPQW-UHFFFAOYSA-N	1	0	364.493	1.938	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)Cn1nnc2ccccc2c1=O)C(C)C	ZINC000046018404	522205665	/nfs/dbraw/zinc/20/56/65/522205665.db2.gz	UYSZTDOQPATOIC-SFHVURJKSA-N	1	0	369.469	1.606	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC(C)(C)C[NH+](C)C	ZINC000046419975	522294260	/nfs/dbraw/zinc/29/42/60/522294260.db2.gz	QDEUTHPEFIPVHH-UHFFFAOYSA-N	1	0	356.474	1.854	20	30		FDEDRO
Cc1ccnc2nc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)nn21	ZINC000047010936	522422090	/nfs/dbraw/zinc/42/20/90/522422090.db2.gz	LRRSBPIDVRUYBY-UHFFFAOYSA-N	1	0	363.425	1.508	20	30		FDEDRO
N#Cc1ccc(CNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)c(F)c1	ZINC000073433287	522525976	/nfs/dbraw/zinc/52/59/76/522525976.db2.gz	VPMQHECJAPFROG-UHFFFAOYSA-N	1	0	367.428	1.921	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)C(C)C	ZINC000047633508	522575065	/nfs/dbraw/zinc/57/50/65/522575065.db2.gz	BLSQPDGUROIOQV-QGZVFWFLSA-N	1	0	371.547	1.473	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(CC(N)=O)CC2)c(OC)c1	ZINC000048026269	522656523	/nfs/dbraw/zinc/65/65/23/522656523.db2.gz	JCEYHYRIVNGFFQ-KRWDZBQOSA-N	1	0	362.470	1.751	20	30		FDEDRO
CN(CC(=O)N(CCC#N)CCC[NH+](C)C)S(=O)(=O)c1ccccc1	ZINC000064361215	522707675	/nfs/dbraw/zinc/70/76/75/522707675.db2.gz	XOWYGJZIMJTKRR-UHFFFAOYSA-N	1	0	366.487	1.001	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)COc1ccc(N2CCCC2=O)cc1	ZINC000064361559	522707897	/nfs/dbraw/zinc/70/78/97/522707897.db2.gz	QAKUWFUDIUWPLS-UHFFFAOYSA-N	1	0	372.469	1.886	20	30		FDEDRO
C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](CCCSCC#N)CC2)C1	ZINC000074981418	522862397	/nfs/dbraw/zinc/86/23/97/522862397.db2.gz	IHENKUKUQKKVPX-CALCHBBNSA-N	1	0	352.548	1.755	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(NC(C)=O)CC2)c(OC)c1	ZINC000050989732	522954743	/nfs/dbraw/zinc/95/47/43/522954743.db2.gz	VZNWTLRJWLEILB-GOSISDBHSA-N	1	0	362.470	1.764	20	30		FDEDRO
N#Cc1cnn(-c2ccc(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)cc2)c1N	ZINC000066240602	522995670	/nfs/dbraw/zinc/99/56/70/522995670.db2.gz	VUQNGLSSZPHSFZ-DLBZAZTESA-N	1	0	350.426	1.683	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000066241174	522997058	/nfs/dbraw/zinc/99/70/58/522997058.db2.gz	HBPOSDIOZTZCDY-CQSZACIVSA-N	1	0	352.442	1.788	20	30		FDEDRO
CCCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C#N)ccc2OC)CC1	ZINC000076334147	523082752	/nfs/dbraw/zinc/08/27/52/523082752.db2.gz	RWRRNBMKCUGGGU-UHFFFAOYSA-N	1	0	358.442	1.886	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(=O)NCCC)cc2)CC1	ZINC000076512765	523127287	/nfs/dbraw/zinc/12/72/87/523127287.db2.gz	VGGQOGFCPKKRBF-UHFFFAOYSA-N	1	0	372.469	1.532	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)CCN3C(C)=O)CC1	ZINC000076512829	523127413	/nfs/dbraw/zinc/12/74/13/523127413.db2.gz	PJIDDXJFYKAPKY-UHFFFAOYSA-N	1	0	370.453	1.301	20	30		FDEDRO
CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)C1	ZINC000076666768	523164884	/nfs/dbraw/zinc/16/48/84/523164884.db2.gz	MFBCBUMNMXTLEW-MRXNPFEDSA-N	1	0	370.457	1.857	20	30		FDEDRO
CC1CC[NH+](CCCNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1	ZINC000052519122	523188834	/nfs/dbraw/zinc/18/88/34/523188834.db2.gz	IXZNUGBOBIRLMA-UHFFFAOYSA-N	1	0	370.501	1.907	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1	ZINC000052682309	523238885	/nfs/dbraw/zinc/23/88/85/523238885.db2.gz	RNDXWGNFXBVSHX-AWEZNQCLSA-N	1	0	370.453	1.141	20	30		FDEDRO
CC(C)Cn1nc(C(=O)NC2(C#N)CC[NH+](C)CC2)c2ccccc2c1=O	ZINC000077037554	523239247	/nfs/dbraw/zinc/23/92/47/523239247.db2.gz	WHKUKBGFVHVSDM-UHFFFAOYSA-N	1	0	367.453	1.770	20	30		FDEDRO
CCOc1ccccc1N1C[C@@H](C(=O)NC2(C#N)CC[NH+](C)CC2)CC1=O	ZINC000077037564	523239914	/nfs/dbraw/zinc/23/99/14/523239914.db2.gz	YXLLPSASFWOCMD-HNNXBMFYSA-N	1	0	370.453	1.542	20	30		FDEDRO
Cc1ccc(C(=O)N2CCC[C@H](C(=O)NC3(C#N)CC[NH+](C)CC3)C2)cc1	ZINC000077039770	523241920	/nfs/dbraw/zinc/24/19/20/523241920.db2.gz	XTBMCBVYBBBIBD-SFHVURJKSA-N	1	0	368.481	1.951	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1	ZINC000053020406	523327675	/nfs/dbraw/zinc/32/76/75/523327675.db2.gz	HPNNCRXHEOKRLB-GFCCVEGCSA-N	1	0	363.845	1.834	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+]1CCCC[C@@H]1C	ZINC000067345435	523396102	/nfs/dbraw/zinc/39/61/02/523396102.db2.gz	RHQQKJHGHHAVCJ-AWEZNQCLSA-N	1	0	358.442	1.886	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(C#N)c(C)n3)cn2)CC1	ZINC000077732677	523437345	/nfs/dbraw/zinc/43/73/45/523437345.db2.gz	FTKXASOWOYZCBD-UHFFFAOYSA-N	1	0	364.453	1.729	20	30		FDEDRO
C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)Cn3cnc(C#N)n3)cc2)C1	ZINC000053620621	523476152	/nfs/dbraw/zinc/47/61/52/523476152.db2.gz	DGOLGEIBZYNVCE-HOTGVXAUSA-N	1	0	366.469	1.944	20	30		FDEDRO
CC1CCC([NH+]2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)CC1	ZINC000078264219	523546757	/nfs/dbraw/zinc/54/67/57/523546757.db2.gz	GIGAYXGTSMPYNC-UHFFFAOYSA-N	1	0	362.499	1.906	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)NCCC[NH+]3CCCCC3)CC2)c1	ZINC000078946199	523676786	/nfs/dbraw/zinc/67/67/86/523676786.db2.gz	VAWOWGVEDUGHQS-UHFFFAOYSA-N	1	0	356.474	1.661	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2[nH]c(=O)[nH]c2c1	ZINC000068310293	523755135	/nfs/dbraw/zinc/75/51/35/523755135.db2.gz	OCIRZRDJPLCJDR-UHFFFAOYSA-N	1	0	363.421	1.932	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[NH+](CC(C)C)CC2)c1	ZINC000055168308	523759094	/nfs/dbraw/zinc/75/90/94/523759094.db2.gz	WMHGZXSLHTWUJN-UHFFFAOYSA-N	1	0	365.499	1.565	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1	ZINC000068342470	523764750	/nfs/dbraw/zinc/76/47/50/523764750.db2.gz	MDDFZXIONRLQNJ-HNNXBMFYSA-N	1	0	351.472	1.317	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)c1	ZINC000055219392	523771070	/nfs/dbraw/zinc/77/10/70/523771070.db2.gz	NYEPVXBYPQXDGX-UHFFFAOYSA-N	1	0	363.483	1.508	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)c2cccc(C#N)c2)CC1	ZINC000079644204	523778219	/nfs/dbraw/zinc/77/82/19/523778219.db2.gz	CXWAJZZVPMCBPD-UHFFFAOYSA-N	1	0	356.470	1.915	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	ZINC000080719773	523900835	/nfs/dbraw/zinc/90/08/35/523900835.db2.gz	RXJDZRDJRIMPJV-MQVJKMGUSA-N	1	0	356.470	1.928	20	30		FDEDRO
CS[C@@H]1CN(C(=O)Nc2cn(C)nc2C(F)(F)F)C[C@@H]1[NH+](C)C	ZINC000331328571	676727512	/nfs/dbraw/zinc/72/75/12/676727512.db2.gz	QZOHBNOFWYDUGP-VHSXEESVSA-N	1	0	351.398	1.962	20	30		FDEDRO
C=C(C)COCCNC(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1	ZINC000134983914	524100512	/nfs/dbraw/zinc/10/05/12/524100512.db2.gz	VOFRDRYCWGWYSJ-UHFFFAOYSA-N	1	0	361.490	1.615	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCCc2ccc(OCC(=O)OCC)cc2)CC1	ZINC000081336584	524102957	/nfs/dbraw/zinc/10/29/57/524102957.db2.gz	RFBRERMWYJXIGB-UHFFFAOYSA-N	1	0	372.465	1.632	20	30		FDEDRO
C[N@H+](CC1CC1)C[C@@H]1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000081517281	524140492	/nfs/dbraw/zinc/14/04/92/524140492.db2.gz	BRGSPRQGTBQORT-SFHVURJKSA-N	1	0	361.511	1.996	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C[NH+](C)C)C2)c1	ZINC000172172450	524145304	/nfs/dbraw/zinc/14/53/04/524145304.db2.gz	VYCIVIRWEQHCLO-CQSZACIVSA-N	1	0	351.472	1.175	20	30		FDEDRO
C=CCNc1ncc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)s1	ZINC000136111212	524184759	/nfs/dbraw/zinc/18/47/59/524184759.db2.gz	GDBFESPUBBJJDF-UHFFFAOYSA-N	1	0	372.498	1.818	20	30		FDEDRO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)C#Cc2ccc3c(c2)OCO3)CC1	ZINC000136317918	524194666	/nfs/dbraw/zinc/19/46/66/524194666.db2.gz	RJQCCFQNYQODAN-INIZCTEOSA-N	1	0	357.454	1.157	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)CN2CCN(c3cc[nH+]cc3)CC2)cc1	ZINC000157622141	524308904	/nfs/dbraw/zinc/30/89/04/524308904.db2.gz	GZUOPQZNTIRTDI-IBGZPJMESA-N	1	0	352.438	1.710	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccccc2C#N)[C@H](C)C1	ZINC000157629403	524309912	/nfs/dbraw/zinc/30/99/12/524309912.db2.gz	XDYMNECPRDINCZ-WBVHZDCISA-N	1	0	365.499	1.974	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1	ZINC000121634627	524314261	/nfs/dbraw/zinc/31/42/61/524314261.db2.gz	KACJJMOBBRRZSF-UHFFFAOYSA-N	1	0	360.414	1.917	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)N(C)C)c(C)o2)CC1	ZINC000084760313	524329849	/nfs/dbraw/zinc/32/98/49/524329849.db2.gz	SFABVWQGQABDDI-UHFFFAOYSA-N	1	0	355.460	1.219	20	30		FDEDRO
C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CCN(S(C)(=O)=O)CC1	ZINC000121717575	524340047	/nfs/dbraw/zinc/34/00/47/524340047.db2.gz	YDHPLCSFKWNQDX-UHFFFAOYSA-N	1	0	364.471	1.243	20	30		FDEDRO
CN1CCO[C@@H](CNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1	ZINC000111857420	524361141	/nfs/dbraw/zinc/36/11/41/524361141.db2.gz	UZQOZIMLLDTGKE-ABHNRTSZSA-N	1	0	372.469	1.878	20	30		FDEDRO
CN1CCC(CNC(=O)Nc2ccn(CCC#N)n2)([NH+]2CCCCC2)CC1	ZINC000173339487	524370655	/nfs/dbraw/zinc/37/06/55/524370655.db2.gz	RVCXSDQZKHSGPE-UHFFFAOYSA-N	1	0	373.505	1.869	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)c1cccs1	ZINC000086432268	524387679	/nfs/dbraw/zinc/38/76/79/524387679.db2.gz	IZDFKBVQYVNHTR-GFCCVEGCSA-N	1	0	360.443	1.216	20	30		FDEDRO
C[NH+](C)C1CN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1	ZINC000158388290	524458393	/nfs/dbraw/zinc/45/83/93/524458393.db2.gz	JGVHPRFUTWGCIR-UHFFFAOYSA-N	1	0	369.425	1.795	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1	ZINC000122173204	524470268	/nfs/dbraw/zinc/47/02/68/524470268.db2.gz	BZNHFEDMKMLBGD-UHFFFAOYSA-N	1	0	356.426	1.331	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000088776903	524470989	/nfs/dbraw/zinc/47/09/89/524470989.db2.gz	GRTHUUHDQBUTNO-CYBMUJFWSA-N	1	0	364.833	1.377	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CCN(C(=O)c2ccco2)CC1	ZINC000089158672	524479519	/nfs/dbraw/zinc/47/95/19/524479519.db2.gz	ONWJKBVIJUGGKG-IMJJTQAJSA-N	1	0	360.458	1.426	20	30		FDEDRO
C[NH+](C)CCn1ccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1	ZINC000173941346	524486897	/nfs/dbraw/zinc/48/68/97/524486897.db2.gz	NJNSZHQKGQZTRB-UHFFFAOYSA-N	1	0	368.445	1.065	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCN(c3cc(CC)ncn3)C2)CC1	ZINC000112498446	524491809	/nfs/dbraw/zinc/49/18/09/524491809.db2.gz	MYFPMRJKEKLIBO-GOSISDBHSA-N	1	0	355.486	1.469	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC1	ZINC000112543217	524502515	/nfs/dbraw/zinc/50/25/15/524502515.db2.gz	VJSWWJJJXQQNMC-GOSISDBHSA-N	1	0	370.453	1.600	20	30		FDEDRO
CC[NH+]=C(NCc1cccc(COC)c1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158640444	524503520	/nfs/dbraw/zinc/50/35/20/524503520.db2.gz	QLIOTSSSQVUIAT-UHFFFAOYSA-N	1	0	367.515	1.808	20	30		FDEDRO
CNC(=O)c1cccc(CCC(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)c1	ZINC000089676951	524519545	/nfs/dbraw/zinc/51/95/45/524519545.db2.gz	GAHFGHUAWPALAT-UHFFFAOYSA-N	1	0	368.441	1.364	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]([NH+](CC)CC)C2)cc1	ZINC000174174782	524523694	/nfs/dbraw/zinc/52/36/94/524523694.db2.gz	VSAPKHVVRKTSKY-INIZCTEOSA-N	1	0	363.483	1.154	20	30		FDEDRO
O=C(C#Cc1ccc2c(c1)OCO2)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000122431048	524535916	/nfs/dbraw/zinc/53/59/16/524535916.db2.gz	WRSLNMHHCIQXMA-MSOLQXFVSA-N	1	0	370.449	1.651	20	30		FDEDRO
CC[C@@H](C)NC(=[NH2+])NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1	ZINC000122488109	524550625	/nfs/dbraw/zinc/55/06/25/524550625.db2.gz	YDFZZVXLRFZDNY-HIFRSBDPSA-N	1	0	368.503	1.347	20	30		FDEDRO
C[NH+]=C(NCC[S@](=O)C(C)(C)C)N1CCN(c2cccs2)CC1	ZINC000158913220	524551573	/nfs/dbraw/zinc/55/15/73/524551573.db2.gz	UJIAOCRRGOOTPM-HSZRJFAPSA-N	1	0	356.561	1.993	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@@H](O)COc1ccc(Cl)cc1	ZINC000089942538	524554690	/nfs/dbraw/zinc/55/46/90/524554690.db2.gz	DYLCSBPFKHWVNQ-CYBMUJFWSA-N	1	0	363.849	1.821	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CCC(=O)Nc1cccc(C#N)c1	ZINC000089943087	524557802	/nfs/dbraw/zinc/55/78/02/524557802.db2.gz	SLNOISFKQXQNPX-UHFFFAOYSA-N	1	0	351.414	1.628	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1Cl	ZINC000158958721	524561992	/nfs/dbraw/zinc/56/19/92/524561992.db2.gz	FYCQATSSYDPYJE-ZDUSSCGKSA-N	1	0	357.863	1.337	20	30		FDEDRO
C#CCCCCNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1	ZINC000159019081	524577761	/nfs/dbraw/zinc/57/77/61/524577761.db2.gz	XWDQBJVYYGVGIV-UHFFFAOYSA-N	1	0	356.470	1.292	20	30		FDEDRO
CC1CC[NH+](CCCNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1	ZINC000091191382	524652457	/nfs/dbraw/zinc/65/24/57/524652457.db2.gz	AGXHKBOUCUCMNZ-UHFFFAOYSA-N	1	0	374.489	1.686	20	30		FDEDRO
C#CCCOc1ccc(C[NH2+]C2CCN(S(=O)(=O)CC)CC2)cc1	ZINC000113319956	524670170	/nfs/dbraw/zinc/67/01/70/524670170.db2.gz	PTBYFDUMVPOZQA-UHFFFAOYSA-N	1	0	350.484	1.992	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1	ZINC000151894292	524716744	/nfs/dbraw/zinc/71/67/44/524716744.db2.gz	ZOEVHQQDIHEITB-OCCSQVGLSA-N	1	0	359.401	1.518	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)c1	ZINC000114210881	524759638	/nfs/dbraw/zinc/75/96/38/524759638.db2.gz	LHAPECQRAGAXQK-CQSZACIVSA-N	1	0	351.472	1.175	20	30		FDEDRO
C=CCc1cc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)cc(OC)c1O	ZINC000091963815	524820644	/nfs/dbraw/zinc/82/06/44/524820644.db2.gz	BOASNHZXCAWCBZ-UHFFFAOYSA-N	1	0	368.499	1.985	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1	ZINC000114583489	524833802	/nfs/dbraw/zinc/83/38/02/524833802.db2.gz	NIYULRHJMSQQOY-LJQANCHMSA-N	1	0	355.486	1.890	20	30		FDEDRO
CC(C)OCCS(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000175093232	524867847	/nfs/dbraw/zinc/86/78/47/524867847.db2.gz	MLSMWTYMIRKQEI-UHFFFAOYSA-N	1	0	353.488	1.677	20	30		FDEDRO
N#Cc1cc(F)c(S(=O)(=O)N2CCN(c3cc[nH+]cc3)CC2)c(F)c1	ZINC000124089026	524897244	/nfs/dbraw/zinc/89/72/44/524897244.db2.gz	HTPPPKYHDPTBCJ-UHFFFAOYSA-N	1	0	364.377	1.742	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+]C[C@H]3C[C@H](O)CN3Cc3ccccc3)n2c1	ZINC000124426206	524983743	/nfs/dbraw/zinc/98/37/43/524983743.db2.gz	PDJDIQDTWCLJJC-QUCCMNQESA-N	1	0	361.449	1.931	20	30		FDEDRO
CC(C)(CCC#N)C[NH+]1CCN(c2cc(N3CCOCC3)ncn2)CC1	ZINC000093562143	524992457	/nfs/dbraw/zinc/99/24/57/524992457.db2.gz	YLQIYXDPEBLXRD-UHFFFAOYSA-N	1	0	358.490	1.765	20	30		FDEDRO
C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1	ZINC000175773586	525005864	/nfs/dbraw/zinc/00/58/64/525005864.db2.gz	WHLCZUKZGRAWEE-QGZVFWFLSA-N	1	0	360.477	1.854	20	30		FDEDRO
CCO[C@@H]1C[C@H](O)C12CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2	ZINC000152856951	525029848	/nfs/dbraw/zinc/02/98/48/525029848.db2.gz	WQAPPUOTJVSGQV-CUSZFKRNSA-N	1	0	351.491	1.681	20	30		FDEDRO
N#Cc1ccc([C@H]([NH2+]CCCNC(=O)c2ccc(F)cc2)C(N)=O)cc1	ZINC000115599947	525033268	/nfs/dbraw/zinc/03/32/68/525033268.db2.gz	HEVDKEIIOWSCEZ-KRWDZBQOSA-N	1	0	354.385	1.633	20	30		FDEDRO
CC1CC[NH+](C[C@H](O)CNS(=O)(=O)c2ccc(C#N)cc2F)CC1	ZINC000161641173	525143070	/nfs/dbraw/zinc/14/30/70/525143070.db2.gz	UAGFSAXTPLVTOE-CQSZACIVSA-N	1	0	355.435	1.068	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N[C@@H]1CCCN(c2ncccn2)C1	ZINC000176673025	525165371	/nfs/dbraw/zinc/16/53/71/525165371.db2.gz	ZLZRHUNMKGOPNS-TWMKSMIVSA-N	1	0	372.517	1.814	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)N[C@@H]1CCOc2ccccc21	ZINC000153288885	525167658	/nfs/dbraw/zinc/16/76/58/525167658.db2.gz	IOWWPYKSBVNCJW-OAHLLOKOSA-N	1	0	368.441	1.368	20	30		FDEDRO
N#CCCn1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)n1	ZINC000125264879	525177851	/nfs/dbraw/zinc/17/78/51/525177851.db2.gz	CBQYYUQEXILAMP-OAHLLOKOSA-N	1	0	358.446	1.070	20	30		FDEDRO
Cc1ccc(CNC(=O)[C@@H](C)[N@H+](C)CCCc2[nH]nc(N)c2C#N)cc1	ZINC000153328863	525180981	/nfs/dbraw/zinc/18/09/81/525180981.db2.gz	FZKBWRLODGBFIY-CQSZACIVSA-N	1	0	354.458	1.741	20	30		FDEDRO
C[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1	ZINC000161964655	525194981	/nfs/dbraw/zinc/19/49/81/525194981.db2.gz	TXLSTGKHANCNNW-UHFFFAOYSA-N	1	0	352.341	1.262	20	30		FDEDRO
N#CC1(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CCSCC1	ZINC000162127421	525217827	/nfs/dbraw/zinc/21/78/27/525217827.db2.gz	INBLDCCNENBCLB-UHFFFAOYSA-N	1	0	359.499	1.499	20	30		FDEDRO
O=C(C[N@H+]1CCC[C@H](CO)C1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000125896148	525249015	/nfs/dbraw/zinc/24/90/15/525249015.db2.gz	OQHLEBIZEJHFFU-HNNXBMFYSA-N	1	0	354.372	1.877	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CC[N@@H+](C)C[C@H]3C(C)C)cc2C1=O	ZINC000153843495	525341536	/nfs/dbraw/zinc/34/15/36/525341536.db2.gz	QODCDWBXXKHDIM-KRWDZBQOSA-N	1	0	355.438	1.881	20	30		FDEDRO
C#CCCCCNC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000126937640	525368191	/nfs/dbraw/zinc/36/81/91/525368191.db2.gz	UTDKUUFRSVTNOJ-IBGZPJMESA-N	1	0	370.497	1.987	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)cc1C#N	ZINC000154012848	525392446	/nfs/dbraw/zinc/39/24/46/525392446.db2.gz	ZLOBBZHOPAARTC-OAHLLOKOSA-N	1	0	358.442	1.694	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1ccccc1C[N@H+](C)C(C)C	ZINC000104162954	525397145	/nfs/dbraw/zinc/39/71/45/525397145.db2.gz	LGKYLWRYJWMDRV-UHFFFAOYSA-N	1	0	361.534	1.524	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1cc(Br)cs1	ZINC000104173992	525397388	/nfs/dbraw/zinc/39/73/88/525397388.db2.gz	QDSBYSPXWHSIKT-UHFFFAOYSA-N	1	0	361.309	1.637	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cnn(-c3ccccc3)c2)CC1	ZINC000178253482	525402965	/nfs/dbraw/zinc/40/29/65/525402965.db2.gz	GAPQPPSSNNRYAW-UHFFFAOYSA-N	1	0	353.426	1.577	20	30		FDEDRO
Cc1ccc2c(c1)C(=O)N(CC(=O)N(CCC#N)CCC[NH+](C)C)C2=O	ZINC000104326684	525405246	/nfs/dbraw/zinc/40/52/46/525405246.db2.gz	GFHXNPGIBUFXQX-UHFFFAOYSA-N	1	0	356.426	1.285	20	30		FDEDRO
C#CCC[NH+]1CCN([C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)CC1	ZINC000127299626	525406055	/nfs/dbraw/zinc/40/60/55/525406055.db2.gz	FSKHYASXOORHET-HNNXBMFYSA-N	1	0	351.458	1.899	20	30		FDEDRO
CCOc1ccc(C#N)cc1NCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1	ZINC000178331900	525411978	/nfs/dbraw/zinc/41/19/78/525411978.db2.gz	REKHRDRQGBEHKX-QGZVFWFLSA-N	1	0	374.485	1.842	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1	ZINC000127433547	525421459	/nfs/dbraw/zinc/42/14/59/525421459.db2.gz	FCAHXIBBWVXBAX-OALUTQOASA-N	1	0	369.465	1.491	20	30		FDEDRO
N#Cc1ncn(CC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)n1	ZINC000178476028	525435327	/nfs/dbraw/zinc/43/53/27/525435327.db2.gz	DCZRFPAUHHTXFF-UHFFFAOYSA-N	1	0	356.455	1.380	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCn3c(nnc3C(F)(F)F)C2)CC1	ZINC000154187817	525452597	/nfs/dbraw/zinc/45/25/97/525452597.db2.gz	SGEGLKTVSLGJMI-UHFFFAOYSA-N	1	0	372.395	1.863	20	30		FDEDRO
C=CCn1c(SC[C@H](O)CN2CCOCC2)nnc1-c1ccccn1	ZINC000163866155	525458768	/nfs/dbraw/zinc/45/87/68/525458768.db2.gz	SOJUUWRXVACLBE-CQSZACIVSA-N	1	0	361.471	1.311	20	30		FDEDRO
C[C@H](CNC(=O)N1CCCN(c2ncccc2C#N)CC1)[N@H+](C)C1CC1	ZINC000105270242	525484084	/nfs/dbraw/zinc/48/40/84/525484084.db2.gz	WOFRZOXHSPKBOB-OAHLLOKOSA-N	1	0	356.474	1.658	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1cnc(CC)nc1)C(C)C	ZINC000128107895	525506168	/nfs/dbraw/zinc/50/61/68/525506168.db2.gz	UKOPRTWDBQYISD-MRXNPFEDSA-N	1	0	359.474	1.792	20	30		FDEDRO
C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)Cc2cc(C#N)ccc2F)C1	ZINC000164836893	525530820	/nfs/dbraw/zinc/53/08/20/525530820.db2.gz	STJRDGJUYXIIOR-PBHICJAKSA-N	1	0	351.447	1.943	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2cccc(S(=O)(=O)NC)c2)CC1	ZINC000106040527	525553104	/nfs/dbraw/zinc/55/31/04/525553104.db2.gz	BYSQDWDWBLZWTH-UHFFFAOYSA-N	1	0	351.472	1.365	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)CC1	ZINC000106037803	525553963	/nfs/dbraw/zinc/55/39/63/525553963.db2.gz	MDZQBGSVXBHQSU-HNNXBMFYSA-N	1	0	365.499	1.510	20	30		FDEDRO
C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NS(=O)(=O)N(C)CCC#N	ZINC000128608343	525562357	/nfs/dbraw/zinc/56/23/57/525562357.db2.gz	MDFDLFNZDUIHSN-HOTGVXAUSA-N	1	0	364.515	1.823	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1	ZINC000165945352	525565231	/nfs/dbraw/zinc/56/52/31/525565231.db2.gz	RWEXNBFVNNLVIB-UHFFFAOYSA-N	1	0	351.476	1.320	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1	ZINC000166295002	525578505	/nfs/dbraw/zinc/57/85/05/525578505.db2.gz	BQHNFAKKPOWIOV-QGZVFWFLSA-N	1	0	351.406	1.972	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCCNc2nccc(C(F)(F)F)n2)CC1	ZINC000128882962	525588073	/nfs/dbraw/zinc/58/80/73/525588073.db2.gz	LBDVILQYBRJUKR-UHFFFAOYSA-N	1	0	355.364	1.369	20	30		FDEDRO
C[C@H]([NH3+])C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1	ZINC000154687627	525610597	/nfs/dbraw/zinc/61/05/97/525610597.db2.gz	DSDLIXCXDWWQQS-IBPDABBASA-N	1	0	352.460	1.565	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)C1	ZINC000119199175	525666871	/nfs/dbraw/zinc/66/68/71/525666871.db2.gz	YRIKUVBABPXRFC-GFCCVEGCSA-N	1	0	350.400	1.325	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(Cc3cc(C)on3)CC2)CC1	ZINC000106275874	525686573	/nfs/dbraw/zinc/68/65/73/525686573.db2.gz	PQTMVFDQQJYKDU-UHFFFAOYSA-N	1	0	361.490	1.851	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)CC1	ZINC000106290740	525688802	/nfs/dbraw/zinc/68/88/02/525688802.db2.gz	VDEYTGBSZFDMIW-UHFFFAOYSA-N	1	0	357.458	1.339	20	30		FDEDRO
CC1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCO[C@H](C#N)C3)cc2)CC1	ZINC000106350123	525699317	/nfs/dbraw/zinc/69/93/17/525699317.db2.gz	AERSAAKYABYLAM-GOSISDBHSA-N	1	0	370.453	1.608	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@H]1CCCO[C@@H]1c1ccccc1	ZINC000170909130	525764261	/nfs/dbraw/zinc/76/42/61/525764261.db2.gz	RDSSRNWYAISWBJ-RTBURBONSA-N	1	0	360.502	1.652	20	30		FDEDRO
C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000180878412	525769906	/nfs/dbraw/zinc/76/99/06/525769906.db2.gz	XVVQWKUJWXRIRT-GHXQLAGASA-N	1	0	360.389	1.659	20	30		FDEDRO
CN(CC[N@H+](C)C1CCN(C)CC1)CC(=O)N(CCC#N)c1ccccc1	ZINC000180944526	525779042	/nfs/dbraw/zinc/77/90/42/525779042.db2.gz	CICCGAOSGVISQU-UHFFFAOYSA-N	1	0	371.529	1.891	20	30		FDEDRO
CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(C#N)cc2)cc1	ZINC000181054111	525797802	/nfs/dbraw/zinc/79/78/02/525797802.db2.gz	FTGKTZOBKNOKCT-SCLBCKFNSA-N	1	0	359.451	1.851	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)N1CCSCC1)N[C@@H](C)c1ccc(C)o1	ZINC000131095298	525827160	/nfs/dbraw/zinc/82/71/60/525827160.db2.gz	NXHPQWCASGYOSX-ZDUSSCGKSA-N	1	0	374.532	1.193	20	30		FDEDRO
C[C@H](C[NH+]1C[C@@H](C)C[C@H](C)C1)NC(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000171115629	525855516	/nfs/dbraw/zinc/85/55/16/525855516.db2.gz	JBKPOEWGNIFJLN-HRCADAONSA-N	1	0	356.470	1.771	20	30		FDEDRO
CCN(CC)C(=O)CN1CCN(CCCOc2cccc(C#N)c2)CC1	ZINC000155449007	525869686	/nfs/dbraw/zinc/86/96/86/525869686.db2.gz	UPTDHHZPZIFNST-UHFFFAOYSA-N	1	0	358.486	1.813	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(CC(=O)N(C)C3(C#N)CCCCC3)C2)CC1	ZINC000107369947	525877622	/nfs/dbraw/zinc/87/76/22/525877622.db2.gz	RPKJNKQEWSUENT-GOSISDBHSA-N	1	0	361.534	1.383	20	30		FDEDRO
CC[C@@H]([NH2+]CC(=O)N(CC)CCC#N)c1cccc(S(N)(=O)=O)c1	ZINC000181727359	525908494	/nfs/dbraw/zinc/90/84/94/525908494.db2.gz	OGFWGUFAKBXTQE-OAHLLOKOSA-N	1	0	352.460	1.137	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH+]1CCN(Cc2nccn2C(F)F)CC1	ZINC000131915265	525917338	/nfs/dbraw/zinc/91/73/38/525917338.db2.gz	NPIIKNKHQGWHLY-UHFFFAOYSA-N	1	0	354.405	1.158	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)c1	ZINC000108332390	525956096	/nfs/dbraw/zinc/95/60/96/525956096.db2.gz	JEKYNTDUDKVHBN-CQSZACIVSA-N	1	0	351.472	1.223	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000181868392	525962289	/nfs/dbraw/zinc/96/22/89/525962289.db2.gz	HAGOPKBWMFZUNN-HOTGVXAUSA-N	1	0	370.453	1.860	20	30		FDEDRO
CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)C1	ZINC000181882419	525968194	/nfs/dbraw/zinc/96/81/94/525968194.db2.gz	XIQZKSAXHNAINB-CABCVRRESA-N	1	0	358.442	1.859	20	30		FDEDRO
C=CCN(C(=O)CCn1c(C)nc2ccccc21)[C@H]1CCS(=O)(=O)C1	ZINC000132583444	525977697	/nfs/dbraw/zinc/97/76/97/525977697.db2.gz	KQVUNDVRKLNZJI-HNNXBMFYSA-N	1	0	361.467	1.937	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH2+][C@H](CC(N)=O)C3CCOCC3)C2=O)cc1	ZINC000181932641	525987905	/nfs/dbraw/zinc/98/79/05/525987905.db2.gz	SFLIXOUUJGAEJS-ZWKOTPCHSA-N	1	0	370.453	1.314	20	30		FDEDRO
C[C@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1cccc(C#N)c1	ZINC000181948619	525992803	/nfs/dbraw/zinc/99/28/03/525992803.db2.gz	DUYGSHOWKJNNHX-WMLDXEAASA-N	1	0	351.472	1.697	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C1CC1	ZINC000134138915	526127667	/nfs/dbraw/zinc/12/76/67/526127667.db2.gz	XGWZIJHYORQDHZ-QGZVFWFLSA-N	1	0	363.483	1.834	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1	ZINC000156437861	526135427	/nfs/dbraw/zinc/13/54/27/526135427.db2.gz	WJODYDWFAISUNU-HNNXBMFYSA-N	1	0	371.489	1.441	20	30		FDEDRO
COc1cc(C#N)ccc1C[N@@H+]1CCCC[C@@H]1CCNS(C)(=O)=O	ZINC000120666127	526145412	/nfs/dbraw/zinc/14/54/12/526145412.db2.gz	DQHSPRZNAYNWIN-MRXNPFEDSA-N	1	0	351.472	1.861	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(CCC(=O)Nc2ccccc2C#N)CC1	ZINC000109752782	526172354	/nfs/dbraw/zinc/17/23/54/526172354.db2.gz	IUZXQLQDLIEPCV-LJQANCHMSA-N	1	0	369.513	1.989	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@H](CN4CCOCC4)C3)C2=O)cc1	ZINC000182810086	535865795	/nfs/dbraw/zinc/86/57/95/535865795.db2.gz	YKQSIHFXBMGJIN-UYAOXDASSA-N	1	0	368.481	1.708	20	30		FDEDRO
C[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C[C@@H]1CCOC1	ZINC000183184447	535938438	/nfs/dbraw/zinc/93/84/38/535938438.db2.gz	YKZKYVLIITTXQB-HOTGVXAUSA-N	1	0	362.499	1.425	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+]Cc3cnc(N4CCOCC4)c(F)c3)n2c1	ZINC000185076513	536197614	/nfs/dbraw/zinc/19/76/14/536197614.db2.gz	FTGUKOJHQOHIGR-UHFFFAOYSA-N	1	0	366.400	1.866	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC(OC(=O)Nc3cccc(F)c3)C2)CC1	ZINC000186595046	536237969	/nfs/dbraw/zinc/23/79/69/536237969.db2.gz	FPLPZHBEYWGZRA-UHFFFAOYSA-N	1	0	359.401	1.930	20	30		FDEDRO
C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000186663244	536240537	/nfs/dbraw/zinc/24/05/37/536240537.db2.gz	LRLVSRUOSBDGGD-AWEZNQCLSA-N	1	0	374.489	1.829	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCO[C@]2(CCOC2)C1)C(C)C	ZINC000187128574	536255309	/nfs/dbraw/zinc/25/53/09/536255309.db2.gz	PAUHAJDBWTYVGC-IEBWSBKVSA-N	1	0	351.491	1.886	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)c1	ZINC000188399722	536292141	/nfs/dbraw/zinc/29/21/41/536292141.db2.gz	UJDSEKYFQKCXMW-KDHSUTEESA-N	1	0	368.434	1.138	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N[C@H]1CCOc2ccccc21	ZINC000262792886	536902618	/nfs/dbraw/zinc/90/26/18/536902618.db2.gz	ORUULBRYVBXEQQ-HOCLYGCPSA-N	1	0	354.458	1.838	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1	ZINC000188662968	536922967	/nfs/dbraw/zinc/92/29/67/536922967.db2.gz	HOAKPEKJTBVYEV-SFHVURJKSA-N	1	0	366.465	1.355	20	30		FDEDRO
C[C@@H]1CN(C(=O)/C=C/c2ccc(OCC#N)cc2)CC[N@@H+]1CC(C)(C)O	ZINC000188711780	536933293	/nfs/dbraw/zinc/93/32/93/536933293.db2.gz	FEQSMLZURDYBNA-YXMGTMDOSA-N	1	0	357.454	1.906	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2C#N)CCN1CC(C)(C)O	ZINC000188802057	536951779	/nfs/dbraw/zinc/95/17/79/536951779.db2.gz	DZOBVHYSTWRRPL-GFCCVEGCSA-N	1	0	371.890	1.677	20	30		FDEDRO
[NH2+]=C(NC[C@@H](c1ccco1)N1CCCC1)N1CCN(c2ncccn2)CC1	ZINC000263258059	537003042	/nfs/dbraw/zinc/00/30/42/537003042.db2.gz	RNZUHHVUOJXHDU-INIZCTEOSA-N	1	0	369.473	1.343	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)NCC1(CO)CCOCC1)C(C)C	ZINC000269719059	537021717	/nfs/dbraw/zinc/02/17/17/537021717.db2.gz	SMXWYCSKZIPPFP-KRWDZBQOSA-N	1	0	353.507	1.773	20	30		FDEDRO
C=CCC[C@H](O)C[N@H+]1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000246974350	537061913	/nfs/dbraw/zinc/06/19/13/537061913.db2.gz	INQLRBGIOGMSID-INIZCTEOSA-N	1	0	368.499	1.719	20	30		FDEDRO
CS(=O)(=O)NC[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C#N)C1	ZINC000263689153	537066252	/nfs/dbraw/zinc/06/62/52/537066252.db2.gz	JNVTXXXOAJBXBU-CQSZACIVSA-N	1	0	364.471	1.148	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C	ZINC000263704924	537073089	/nfs/dbraw/zinc/07/30/89/537073089.db2.gz	PMNMSRWBUBZVAX-QAPCUYQASA-N	1	0	372.469	1.384	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1	ZINC000247106696	537082238	/nfs/dbraw/zinc/08/22/38/537082238.db2.gz	VJMWTURYORHTFV-HOTGVXAUSA-N	1	0	350.507	1.869	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)CC1	ZINC000189728412	537085995	/nfs/dbraw/zinc/08/59/95/537085995.db2.gz	ARLDGUBENLQHRG-QZTJIDSGSA-N	1	0	361.486	1.194	20	30		FDEDRO
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000247422229	537118012	/nfs/dbraw/zinc/11/80/12/537118012.db2.gz	ZBGCLDMSZAQBMQ-QZTJIDSGSA-N	1	0	370.453	1.011	20	30		FDEDRO
C[C@H]1CN(CC(=O)N(C)C2(C#N)CCCCC2)CC[N@@H+]1CC(C)(C)O	ZINC000189949947	537119444	/nfs/dbraw/zinc/11/94/44/537119444.db2.gz	ACZJWVYEWXDHEE-INIZCTEOSA-N	1	0	350.507	1.448	20	30		FDEDRO
C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)N3CCO[C@@H](C#N)C3)cc2)C[C@H](C)O1	ZINC000247568598	537135482	/nfs/dbraw/zinc/13/54/82/537135482.db2.gz	GWVVJDGVBHINSJ-FCEWJHQRSA-N	1	0	372.469	1.730	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1ccccc1Cn1cccn1	ZINC000264104077	537137638	/nfs/dbraw/zinc/13/76/38/537137638.db2.gz	NGYPOWSTDDTAGG-UHFFFAOYSA-N	1	0	356.474	1.058	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2cc(OC)ccc2OC)CC1	ZINC000264104458	537137718	/nfs/dbraw/zinc/13/77/18/537137718.db2.gz	NKNMDPUOFPDLOT-UHFFFAOYSA-N	1	0	364.446	1.729	20	30		FDEDRO
CCN(CC)S(=O)(=O)c1ccc(CCNC(NC2CC2)=[NH+]C)s1	ZINC000264150011	537138598	/nfs/dbraw/zinc/13/85/98/537138598.db2.gz	KQWSMPJJRVFJJV-UHFFFAOYSA-N	1	0	358.533	1.649	20	30		FDEDRO
CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000190161515	537147934	/nfs/dbraw/zinc/14/79/34/537147934.db2.gz	YVYDTMPVALQGKW-UHFFFAOYSA-N	1	0	362.478	1.639	20	30		FDEDRO
C#C[C@@H](C)NC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1	ZINC000190283116	537160948	/nfs/dbraw/zinc/16/09/48/537160948.db2.gz	YPKXYFFLLDEYKA-OAHLLOKOSA-N	1	0	354.454	1.295	20	30		FDEDRO
CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1nn(C(C)C)cc1C#N	ZINC000190350611	537166850	/nfs/dbraw/zinc/16/68/50/537166850.db2.gz	UJXGMMJKSWFMOD-HUUCEWRRSA-N	1	0	358.446	1.359	20	30		FDEDRO
CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1	ZINC000265706620	537167615	/nfs/dbraw/zinc/16/76/15/537167615.db2.gz	VKZDHWZMUMONFG-QGZVFWFLSA-N	1	0	374.441	1.097	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1	ZINC000248370011	537174041	/nfs/dbraw/zinc/17/40/41/537174041.db2.gz	WYCAWPJLKOIVSJ-CVEARBPZSA-N	1	0	372.469	1.529	20	30		FDEDRO
Cn1ccc2cccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c21	ZINC000190608905	537180289	/nfs/dbraw/zinc/18/02/89/537180289.db2.gz	YKLVHRFVBUOXHL-UHFFFAOYSA-N	1	0	355.442	1.811	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1	ZINC000248554001	537191080	/nfs/dbraw/zinc/19/10/80/537191080.db2.gz	LENOBEUUDWPYCA-HLLBOEOZSA-N	1	0	370.453	1.859	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C[C@H]1CO	ZINC000190927272	537191454	/nfs/dbraw/zinc/19/14/54/537191454.db2.gz	VYPQEHXIKKQNRQ-HHXXYDBFSA-N	1	0	374.460	1.095	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)[C@H](C)[NH3+]	ZINC000192009743	537218111	/nfs/dbraw/zinc/21/81/11/537218111.db2.gz	WFRPTWNKYVIEAH-PYLZHDOYSA-N	1	0	352.460	1.421	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(Nc2nccc(OC)n2)CC1	ZINC000192871895	537234946	/nfs/dbraw/zinc/23/49/46/537234946.db2.gz	XTTMRTKMCGGNRA-OAHLLOKOSA-N	1	0	359.474	1.951	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NCC(=O)N[C@](C)(C#N)C2CC2)[C@@H](C)C1	ZINC000249419222	537235399	/nfs/dbraw/zinc/23/53/99/537235399.db2.gz	HGIGHLQTVVBQKK-VDZJLULYSA-N	1	0	350.507	1.521	20	30		FDEDRO
C[C@H]([NH3+])CCC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1	ZINC000193205821	537242276	/nfs/dbraw/zinc/24/22/76/537242276.db2.gz	SFIAEDIJVZNCKZ-IBPDABBASA-N	1	0	352.460	1.565	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCC1(C)CC[NH+](C)CC1	ZINC000272468029	537285232	/nfs/dbraw/zinc/28/52/32/537285232.db2.gz	DFKSPVOQQJJEHP-AWEZNQCLSA-N	1	0	358.442	1.764	20	30		FDEDRO
N#Cc1ccc2c(c1)N(C(=O)C(=O)N[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2	ZINC000270158402	537288904	/nfs/dbraw/zinc/28/89/04/537288904.db2.gz	HYUSANGQTOISHB-IBGZPJMESA-N	1	0	374.444	1.838	20	30		FDEDRO
C#CC[C@H](NC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1	ZINC000270175102	537291766	/nfs/dbraw/zinc/29/17/66/537291766.db2.gz	DANZNZWHOUDTBO-RBUKOAKNSA-N	1	0	370.497	1.993	20	30		FDEDRO
C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccn(-c2cccc(C#N)c2)n1	ZINC000282284234	537302783	/nfs/dbraw/zinc/30/27/83/537302783.db2.gz	KIUZUDKLWMUYCN-HNNXBMFYSA-N	1	0	367.453	1.661	20	30		FDEDRO
C=CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CC2CCOCC2)CC1	ZINC000282401710	537325122	/nfs/dbraw/zinc/32/51/22/537325122.db2.gz	WOONBZAOSXMAQE-UHFFFAOYSA-N	1	0	371.489	1.413	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)CN1CCCNC(=O)[C@@H]1Cc1ccccc1	ZINC000293079438	537329847	/nfs/dbraw/zinc/32/98/47/537329847.db2.gz	WDFYIUQVQJTCAQ-PXNSSMCTSA-N	1	0	356.470	1.474	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NCc1ccccc1OCC[NH+](C)C	ZINC000282674638	537330825	/nfs/dbraw/zinc/33/08/25/537330825.db2.gz	NZVNWIFRGRVHED-CQSZACIVSA-N	1	0	354.476	1.053	20	30		FDEDRO
C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3cccc(OCCCC#N)c3)C2)C1	ZINC000293090581	537336156	/nfs/dbraw/zinc/33/61/56/537336156.db2.gz	AWIGOSKWLIGHQY-HXUWFJFHSA-N	1	0	370.453	1.862	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1	ZINC000283180980	537358536	/nfs/dbraw/zinc/35/85/36/537358536.db2.gz	ABGTXQOPTKFORO-GOSISDBHSA-N	1	0	359.470	1.983	20	30		FDEDRO
COc1ccccc1[C@@H](CNC(=O)C(=O)NCCCCC#N)[NH+]1CCCC1	ZINC000283258061	537360596	/nfs/dbraw/zinc/36/05/96/537360596.db2.gz	BQPAPZRRVIESQI-QGZVFWFLSA-N	1	0	372.469	1.758	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC(c3ccc(OC)cc3)=NO2)CC1	ZINC000283687628	537386283	/nfs/dbraw/zinc/38/62/83/537386283.db2.gz	WTRDOSNYFMBETC-GOSISDBHSA-N	1	0	355.438	1.650	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1OC[C@H]2COCC[C@H]21	ZINC000290701812	537393673	/nfs/dbraw/zinc/39/36/73/537393673.db2.gz	KAGSHFYMKRTBKR-GUDVDZBRSA-N	1	0	357.454	1.500	20	30		FDEDRO
COCC[N@@H+]1CCCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000286023095	537407999	/nfs/dbraw/zinc/40/79/99/537407999.db2.gz	ONRLPVLBNYRZKA-QGZVFWFLSA-N	1	0	374.460	1.704	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1	ZINC000273218025	537416924	/nfs/dbraw/zinc/41/69/24/537416924.db2.gz	BLQAWHLONZKVCP-GOSISDBHSA-N	1	0	361.486	1.940	20	30		FDEDRO
COc1cc(C[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)ccc1C#N	ZINC000284559309	537431695	/nfs/dbraw/zinc/43/16/95/537431695.db2.gz	OEWZMMBZUHHDDS-DNVCBOLYSA-N	1	0	353.426	1.752	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(N3CCCC3)nc2)CC1	ZINC000284559559	537432163	/nfs/dbraw/zinc/43/21/63/537432163.db2.gz	UCDWCIDMDOEMEL-UHFFFAOYSA-N	1	0	371.485	1.065	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)N[C@H]2CCCN(c3ccccc3C#N)C2)CC1	ZINC000365150497	537439667	/nfs/dbraw/zinc/43/96/67/537439667.db2.gz	HCLIJLTVSJIVKR-IBGZPJMESA-N	1	0	369.513	1.671	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000293416840	537449349	/nfs/dbraw/zinc/44/93/49/537449349.db2.gz	PPJDJRQAFXPAED-UHFFFAOYSA-N	1	0	352.778	1.258	20	30		FDEDRO
C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000288069923	537451264	/nfs/dbraw/zinc/45/12/64/537451264.db2.gz	GENWTJBHIDTINN-WOJBJXKFSA-N	1	0	355.482	1.985	20	30		FDEDRO
C[C@H](c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1)n1cnc(C#N)n1	ZINC000349979018	537463802	/nfs/dbraw/zinc/46/38/02/537463802.db2.gz	FEYGEANMHJTZLL-GFCCVEGCSA-N	1	0	353.386	1.749	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1	ZINC000218928457	537468798	/nfs/dbraw/zinc/46/87/98/537468798.db2.gz	OTWSWSVIOMUKPB-INIZCTEOSA-N	1	0	357.366	1.875	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1	ZINC000293473957	537480543	/nfs/dbraw/zinc/48/05/43/537480543.db2.gz	VCHVQLSUSBTHRL-UHFFFAOYSA-N	1	0	363.368	1.510	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1	ZINC000365338477	537487765	/nfs/dbraw/zinc/48/77/65/537487765.db2.gz	HCRCBUADYPAELS-AEFFLSMTSA-N	1	0	356.470	1.564	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccnn1Cc1cccc(C)c1	ZINC000293510617	537493808	/nfs/dbraw/zinc/49/38/08/537493808.db2.gz	YAVKNHIJDTWWLB-UHFFFAOYSA-N	1	0	367.453	1.250	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1	ZINC000272002744	537516978	/nfs/dbraw/zinc/51/69/78/537516978.db2.gz	UKGHRHWTGXNJHP-UHFFFAOYSA-N	1	0	374.485	1.305	20	30		FDEDRO
C#CCCN1CC[NH+](C[C@H](O)COCc2ccc(OC)c(OC)c2)CC1	ZINC000272036481	537520287	/nfs/dbraw/zinc/52/02/87/537520287.db2.gz	QCVXQEKNKZCDLZ-SFHVURJKSA-N	1	0	362.470	1.222	20	30		FDEDRO
C=CCS(=O)(=O)CCN[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1	ZINC000274381795	537525314	/nfs/dbraw/zinc/52/53/14/537525314.db2.gz	MUIFZFQBVMCAGL-IRXDYDNUSA-N	1	0	372.918	1.902	20	30		FDEDRO
C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(C#N)cc2)C[C@@H](C)O1	ZINC000299283384	537534421	/nfs/dbraw/zinc/53/44/21/537534421.db2.gz	WOYMPKOTMLPFIJ-JYBIWHBTSA-N	1	0	373.497	1.872	20	30		FDEDRO
N#Cc1ccsc1NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000293694878	537565575	/nfs/dbraw/zinc/56/55/75/537565575.db2.gz	LLXZNROTLOHNMM-CYBMUJFWSA-N	1	0	362.455	1.129	20	30		FDEDRO
Cn1ccnc1[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1	ZINC000365706566	537579910	/nfs/dbraw/zinc/57/99/10/537579910.db2.gz	RLIXLUIDTGEUPG-LBPRGKRZSA-N	1	0	355.373	1.776	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1CC(=O)NCc1cccc(C#N)c1	ZINC000365821906	537592109	/nfs/dbraw/zinc/59/21/09/537592109.db2.gz	RPPUPDLGWSLTBY-INIZCTEOSA-N	1	0	356.470	1.360	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)NC2CC[NH+](C3CC3)CC2)C1	ZINC000329029125	537633521	/nfs/dbraw/zinc/63/35/21/537633521.db2.gz	KSPXSGMCEIECDS-IRXDYDNUSA-N	1	0	364.490	1.239	20	30		FDEDRO
O=C(NC[C@@H]1CS(=O)(=O)CCO1)[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000329027908	537634248	/nfs/dbraw/zinc/63/42/48/537634248.db2.gz	ACONYZUONQTSHG-DLBZAZTESA-N	1	0	366.483	1.669	20	30		FDEDRO
O=C(CN1C(=O)NC2(CCCCC2)C1=O)N[C@@H](CO)C[NH+]1CCCCC1	ZINC000329175235	537635731	/nfs/dbraw/zinc/63/57/31/537635731.db2.gz	LZXCIAJBYBCDNR-CQSZACIVSA-N	1	0	366.462	1.249	20	30		FDEDRO
COc1c2cnn(C)c2ncc1C(=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000329500987	537637980	/nfs/dbraw/zinc/63/79/80/537637980.db2.gz	GDGQOPDHEAQYAP-UHFFFAOYSA-N	1	0	373.457	1.927	20	30		FDEDRO
Cc1cnn([C@@H]2CCN(C([O-])=[NH+]C3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)C2)c1	ZINC000329653273	537641773	/nfs/dbraw/zinc/64/17/73/537641773.db2.gz	LDJVGXWHSWDRKP-KZNAEPCWSA-N	1	0	361.490	1.730	20	30		FDEDRO
O=C(NC[C@@H]1COc2ccccc2O1)N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000329912409	537645251	/nfs/dbraw/zinc/64/52/51/537645251.db2.gz	BFHHUEAKLUNUJH-JKSUJKDBSA-N	1	0	361.442	1.395	20	30		FDEDRO
CO[C@@H]1CC[C@@H](NC(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)C1	ZINC000329923363	537646572	/nfs/dbraw/zinc/64/65/72/537646572.db2.gz	GYCMVXBZCUGJGR-VVLHAWIVSA-N	1	0	367.469	1.746	20	30		FDEDRO
CC(C)(C)[C@H]1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)C[C@@H]1O	ZINC000290025932	537651167	/nfs/dbraw/zinc/65/11/67/537651167.db2.gz	TUWUEKPUNSVYRX-GJZGRUSLSA-N	1	0	351.472	1.456	20	30		FDEDRO
CC(=O)N1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1	ZINC000330225839	537651712	/nfs/dbraw/zinc/65/17/12/537651712.db2.gz	OJRWHOZHAVRUTE-QZTJIDSGSA-N	1	0	366.506	1.223	20	30		FDEDRO
CN(C)c1ncc(Br)cc1C(=O)NC[C@@H]1C[N@H+](C)CCN1C	ZINC000330746402	537660803	/nfs/dbraw/zinc/66/08/03/537660803.db2.gz	FTJDOQAJKSSHEB-GFCCVEGCSA-N	1	0	370.295	1.461	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C	ZINC000285298183	537677558	/nfs/dbraw/zinc/67/75/58/537677558.db2.gz	VUEIZFSMBYCCFP-OTWHNJEPSA-N	1	0	373.497	1.373	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)c1	ZINC000294279370	537679575	/nfs/dbraw/zinc/67/95/75/537679575.db2.gz	PSQHFZKLFFJGEU-UHFFFAOYSA-N	1	0	353.426	1.600	20	30		FDEDRO
CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(OC)c(OCCCC#N)c1	ZINC000295077386	537710124	/nfs/dbraw/zinc/71/01/24/537710124.db2.gz	PXZSWNQQCFPARM-HNNXBMFYSA-N	1	0	369.487	1.795	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c1	ZINC000295968960	537713966	/nfs/dbraw/zinc/71/39/66/537713966.db2.gz	CHKBPJJKKFYDHK-INIZCTEOSA-N	1	0	361.442	1.153	20	30		FDEDRO
CN(C[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1)S(C)(=O)=O	ZINC000285552057	537729435	/nfs/dbraw/zinc/72/94/35/537729435.db2.gz	IVUMSLYXIGRISC-NVXWUHKLSA-N	1	0	351.472	1.195	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292450864	537737483	/nfs/dbraw/zinc/73/74/83/537737483.db2.gz	ZDLNVUKVQIWKPN-DLBZAZTESA-N	1	0	357.458	1.990	20	30		FDEDRO
C=C[C@H](CO)NC(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1	ZINC000292463365	537738293	/nfs/dbraw/zinc/73/82/93/537738293.db2.gz	PFYNTAAAPAGYEK-GOSISDBHSA-N	1	0	360.502	1.743	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[NH+](C2CCC(C)CC2)CC1	ZINC000407954001	537813094	/nfs/dbraw/zinc/81/30/94/537813094.db2.gz	FEVMESAXHIYOJQ-CGZBRXJRSA-N	1	0	356.536	1.909	20	30		FDEDRO
C[C@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)C(=O)N(CCC#N)c1ccccc1	ZINC000371793554	537831127	/nfs/dbraw/zinc/83/11/27/537831127.db2.gz	YKPDWRDLXLHLEU-LPHOPBHVSA-N	1	0	356.470	1.775	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)C(=O)N(CCC#N)c1ccccc1	ZINC000371793556	537831412	/nfs/dbraw/zinc/83/14/12/537831412.db2.gz	YKPDWRDLXLHLEU-VQIMIIECSA-N	1	0	356.470	1.775	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1	ZINC000416418474	537835523	/nfs/dbraw/zinc/83/55/23/537835523.db2.gz	QUHQSCJIITYJSE-INIZCTEOSA-N	1	0	365.499	1.889	20	30		FDEDRO
C[C@]1(CNC(=O)C(=O)NCCSCc2ccccc2C#N)CCC[NH2+]C1	ZINC000418926543	537851067	/nfs/dbraw/zinc/85/10/67/537851067.db2.gz	RPPYFEWKABRSPB-IBGZPJMESA-N	1	0	374.510	1.414	20	30		FDEDRO
CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)N(C)C[C@H](C)C#N	ZINC000409515015	537856298	/nfs/dbraw/zinc/85/62/98/537856298.db2.gz	RUUBVOPQZPZKIZ-CYBMUJFWSA-N	1	0	372.457	1.919	20	30		FDEDRO
C#CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000376764115	537904109	/nfs/dbraw/zinc/90/41/09/537904109.db2.gz	MDRFKHILGBSJDM-FQEVSTJZSA-N	1	0	370.497	1.238	20	30		FDEDRO
N#Cc1c2c(sc1NC(=O)CC[NH2+][C@H](CO)[C@@H]1CCCOC1)CCC2	ZINC000411994769	537928284	/nfs/dbraw/zinc/92/82/84/537928284.db2.gz	OBCISYLKRGXXRV-IUODEOHRSA-N	1	0	363.483	1.814	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)cc1	ZINC000377117576	537957422	/nfs/dbraw/zinc/95/74/22/537957422.db2.gz	AMRDZKRTYWCGBP-UHOFOFEASA-N	1	0	354.451	1.497	20	30		FDEDRO
C#CCOc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)cc1	ZINC000377298863	537958406	/nfs/dbraw/zinc/95/84/06/537958406.db2.gz	ONOVMHIVUDQRLJ-OXJNMPFZSA-N	1	0	352.438	1.741	20	30		FDEDRO
C=CCN1CC[C@H](N(C)[C@@H]2CCCN(c3ccccc3OC)C2=O)C1=O	ZINC000368531150	537982409	/nfs/dbraw/zinc/98/24/09/537982409.db2.gz	TXKOITORLNMEFZ-SJORKVTESA-N	1	0	357.454	1.909	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)CC1	ZINC000368525475	537983448	/nfs/dbraw/zinc/98/34/48/537983448.db2.gz	DTPHZOXAEVBAHD-UHFFFAOYSA-N	1	0	360.502	1.518	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)NCC1([NH+]2CCSCC2)CCCC1	ZINC000369192188	538002313	/nfs/dbraw/zinc/00/23/13/538002313.db2.gz	DVLSJVSBTZDBJT-OAHLLOKOSA-N	1	0	374.576	1.664	20	30		FDEDRO
N#CCCCCS(=O)(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1	ZINC000369181354	538002612	/nfs/dbraw/zinc/00/26/12/538002612.db2.gz	WYSSJBAOZXJHLX-KRWDZBQOSA-N	1	0	350.488	1.907	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)[N@H+](C)Cc1ccccc1	ZINC000369220525	538005216	/nfs/dbraw/zinc/00/52/16/538005216.db2.gz	SWNHHLAPLQOTLU-VQIMIIECSA-N	1	0	355.486	1.889	20	30		FDEDRO
Cc1ccc([C@@H](CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)[NH+](C)C)cc1	ZINC000369219437	538005810	/nfs/dbraw/zinc/00/58/10/538005810.db2.gz	OAMSBDIJAPKOAK-RTBURBONSA-N	1	0	355.486	1.980	20	30		FDEDRO
C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1	ZINC000415393904	538027447	/nfs/dbraw/zinc/02/74/47/538027447.db2.gz	LLMGYOXTLRFCQI-JTQLQIEISA-N	1	0	370.331	1.463	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)NCCCN1CC[NH2+]CC1	ZINC000415462954	538061457	/nfs/dbraw/zinc/06/14/57/538061457.db2.gz	IHSOLSVXRLNIMF-UHFFFAOYSA-N	1	0	361.446	1.000	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NCCN2CC[NH+]([C@@H](C)CCC#N)CC2)cc1	ZINC000411375471	538064864	/nfs/dbraw/zinc/06/48/64/538064864.db2.gz	PZQVDYUJSZWALZ-KRWDZBQOSA-N	1	0	364.515	1.583	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC000372953568	538067688	/nfs/dbraw/zinc/06/76/88/538067688.db2.gz	TUKYXVXIDQYJAC-LSDHHAIUSA-N	1	0	356.426	1.638	20	30		FDEDRO
CN(C)C(=O)NCC[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000411434168	538071249	/nfs/dbraw/zinc/07/12/49/538071249.db2.gz	VSMJPULTGCGVGE-UHFFFAOYSA-N	1	0	351.838	1.743	20	30		FDEDRO
N#Cc1cccc(OC2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]C3)CC2)c1	ZINC000419867887	538123919	/nfs/dbraw/zinc/12/39/19/538123919.db2.gz	VFOKHWUOEAYYDP-MRXNPFEDSA-N	1	0	370.453	1.044	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)C1	ZINC000423739633	538155431	/nfs/dbraw/zinc/15/54/31/538155431.db2.gz	RJPMEONUXPBSEQ-HPBDAGMYSA-N	1	0	354.454	1.338	20	30		FDEDRO
Cc1sc(NC(=O)CN2CCN(Cc3ncc[nH]3)CC2)c(C#N)c1C	ZINC000427023290	538158283	/nfs/dbraw/zinc/15/82/83/538158283.db2.gz	MVEBLABTLJKRNI-UHFFFAOYSA-N	1	0	358.471	1.716	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)CC1(CC#N)CC1	ZINC000451050938	538181144	/nfs/dbraw/zinc/18/11/44/538181144.db2.gz	ALZUHCWKNBOCCP-UHFFFAOYSA-N	1	0	360.483	1.946	20	30		FDEDRO
CCOC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2cccc(C#N)c2)CC12COC2	ZINC000451137246	538194184	/nfs/dbraw/zinc/19/41/84/538194184.db2.gz	OPXZQUGHGKFUGV-INIZCTEOSA-N	1	0	357.410	1.398	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)CC1	ZINC000422299144	538219597	/nfs/dbraw/zinc/21/95/97/538219597.db2.gz	TUQTZXXWFXBPJN-QGZVFWFLSA-N	1	0	374.460	1.287	20	30		FDEDRO
CC[NH+](CC)CCOC1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1	ZINC000451279028	538221057	/nfs/dbraw/zinc/22/10/57/538221057.db2.gz	ZJDDBSHMAQOOEC-UHFFFAOYSA-N	1	0	357.520	1.833	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)NCc1csc(CNC(=O)c2ccccc2)n1	ZINC000424147318	538245334	/nfs/dbraw/zinc/24/53/34/538245334.db2.gz	CLEBSEXVTXSQHP-OAHLLOKOSA-N	1	0	371.466	1.710	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C	ZINC000420163706	538245423	/nfs/dbraw/zinc/24/54/23/538245423.db2.gz	FQILEOYWOVAQKM-GOSISDBHSA-N	1	0	368.481	1.967	20	30		FDEDRO
C=CCC1(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCOCC1	ZINC000424151871	538246797	/nfs/dbraw/zinc/24/67/97/538246797.db2.gz	INTCIYGOFKBSCK-IRXDYDNUSA-N	1	0	363.502	1.466	20	30		FDEDRO
CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@H]1CN(Cc2ccccc2)CCO1	ZINC000424152214	538246933	/nfs/dbraw/zinc/24/69/33/538246933.db2.gz	JBVLDIBMBHVIHT-GBESFXJTSA-N	1	0	358.486	1.803	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H]1CCC[C@H]([NH3+])C1	ZINC000420425210	538291145	/nfs/dbraw/zinc/29/11/45/538291145.db2.gz	OUTIFXJXPCAEEH-VHSXEESVSA-N	1	0	358.261	1.869	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2C#N)C[C@@]1(C)C[NH3+]	ZINC000420455393	538296898	/nfs/dbraw/zinc/29/68/98/538296898.db2.gz	FXCDTIHORSYYJF-QMTHXVAHSA-N	1	0	372.288	1.926	20	30		FDEDRO
Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCc1ccc(C#N)s1	ZINC000420707940	538343194	/nfs/dbraw/zinc/34/31/94/538343194.db2.gz	VOZKRELYJGXWRB-UHFFFAOYSA-N	1	0	367.500	1.473	20	30		FDEDRO
CCO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000452032034	538353643	/nfs/dbraw/zinc/35/36/43/538353643.db2.gz	BXLSPBANWJWXRS-KZNAEPCWSA-N	1	0	350.507	1.616	20	30		FDEDRO
N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1	ZINC000442862994	538381253	/nfs/dbraw/zinc/38/12/53/538381253.db2.gz	WKJUNHNBJNCTTM-IXDOHACOSA-N	1	0	356.474	1.564	20	30		FDEDRO
N#Cc1cccc(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c1Br	ZINC000452387184	538389398	/nfs/dbraw/zinc/38/93/98/538389398.db2.gz	PETPTEKCNBJWDU-CYBMUJFWSA-N	1	0	366.259	1.897	20	30		FDEDRO
C[N@H+](CCNS(=O)(=O)c1cc(Br)cc(C#N)c1)C1CC1	ZINC000443463255	538398691	/nfs/dbraw/zinc/39/86/91/538398691.db2.gz	IMPVXUZHPZHDBS-UHFFFAOYSA-N	1	0	358.261	1.693	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C[C@@H]1C[NH3+]	ZINC000423526565	538398739	/nfs/dbraw/zinc/39/87/39/538398739.db2.gz	LOUZXJMUBNKJKR-XGXHKWSGSA-N	1	0	368.481	1.728	20	30		FDEDRO
C=CCCCC[C@@H](C)[NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1	ZINC000449141726	538420005	/nfs/dbraw/zinc/42/00/05/538420005.db2.gz	MAYPXLQBRCEXJN-MRXNPFEDSA-N	1	0	359.536	1.752	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000460052910	538460053	/nfs/dbraw/zinc/46/00/53/538460053.db2.gz	FOYXDMWYHPFUNO-CALCHBBNSA-N	1	0	365.518	1.759	20	30		FDEDRO
C=C(C)CN(C)C(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000460052862	538460357	/nfs/dbraw/zinc/46/03/57/538460357.db2.gz	FMMXMQLCIHZMIV-IYBDPMFKSA-N	1	0	351.491	1.369	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@H+](C)[C@@]2(CO)CCOC2)c(OC)c1	ZINC000461366638	538511677	/nfs/dbraw/zinc/51/16/77/538511677.db2.gz	PABNYEMJPXTQMK-QFBILLFUSA-N	1	0	351.443	1.247	20	30		FDEDRO
C=CCc1cc(CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)cc(OC)c1OC	ZINC000486690467	538549965	/nfs/dbraw/zinc/54/99/65/538549965.db2.gz	VJRURFIBZIPFGZ-KRWDZBQOSA-N	1	0	359.470	1.438	20	30		FDEDRO
C=CCOC[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)OC	ZINC000481750052	538550610	/nfs/dbraw/zinc/55/06/10/538550610.db2.gz	NGCTXEWYHZCYFJ-ZWKOTPCHSA-N	1	0	360.454	1.759	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ncccc1OCCCC#N	ZINC000466599720	538558605	/nfs/dbraw/zinc/55/86/05/538558605.db2.gz	VGCNOPXASWCODD-HNNXBMFYSA-N	1	0	361.446	1.996	20	30		FDEDRO
CC[NH+](CC)CCOCCNC(=O)N1CC(Oc2ccc(C#N)cc2)C1	ZINC000461937553	538574023	/nfs/dbraw/zinc/57/40/23/538574023.db2.gz	UWLFURQLQWUDKT-UHFFFAOYSA-N	1	0	360.458	1.689	20	30		FDEDRO
Cc1cc(NC(=O)CNc2ccc(C#N)cn2)ccc1OCC[NH+](C)C	ZINC000458195467	538577026	/nfs/dbraw/zinc/57/70/26/538577026.db2.gz	FJRVNFMRHFYTKM-UHFFFAOYSA-N	1	0	353.426	2.253	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3C[C@@H](C)[C@H]([NH+](C)C)C3)C2)n1	ZINC000472096751	538581104	/nfs/dbraw/zinc/58/11/04/538581104.db2.gz	TWHACOCMPQUQJL-FHLIZLRMSA-N	1	0	355.486	1.887	20	30		FDEDRO
C[N@H+](CCCCO)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000472174961	538598448	/nfs/dbraw/zinc/59/84/48/538598448.db2.gz	QUEZMJMFXMOVDH-SFHVURJKSA-N	1	0	362.449	1.239	20	30		FDEDRO
COCCOC[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1	ZINC000462285022	538613602	/nfs/dbraw/zinc/61/36/02/538613602.db2.gz	FKPXPYNFLBQVIM-NVXWUHKLSA-N	1	0	357.410	1.175	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000472281025	538616152	/nfs/dbraw/zinc/61/61/52/538616152.db2.gz	WHDUHTLWFJAYLM-IBGZPJMESA-N	1	0	358.486	1.607	20	30		FDEDRO
C=CCCCNC(=O)N1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1	ZINC000454867400	538621083	/nfs/dbraw/zinc/62/10/83/538621083.db2.gz	CVPYQYQPUQOMCD-GOSISDBHSA-N	1	0	350.507	1.928	20	30		FDEDRO
CC(C)[C@H]1CN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC[N@@H+]1C	ZINC000487214564	538622988	/nfs/dbraw/zinc/62/29/88/538622988.db2.gz	GXMXEUWPJXLAJU-MRXNPFEDSA-N	1	0	353.430	1.943	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@@H](C)n1cnc(C#N)n1	ZINC000467261289	538635361	/nfs/dbraw/zinc/63/53/61/538635361.db2.gz	UGBIESPLEDDPNU-NVXWUHKLSA-N	1	0	367.457	1.619	20	30		FDEDRO
CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1cnccc1C#N	ZINC000487414096	538643064	/nfs/dbraw/zinc/64/30/64/538643064.db2.gz	WBOGVFLLJFSPES-HXUWFJFHSA-N	1	0	350.422	1.662	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	ZINC000488215722	538725805	/nfs/dbraw/zinc/72/58/05/538725805.db2.gz	ITQMEIIJJRMQKM-CVEARBPZSA-N	1	0	351.491	1.559	20	30		FDEDRO
N#CC1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1	ZINC000478225880	538726341	/nfs/dbraw/zinc/72/63/41/538726341.db2.gz	WLFWGNHDPGVBKS-IBGZPJMESA-N	1	0	368.481	1.919	20	30		FDEDRO
COCCOC[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000466094727	538741919	/nfs/dbraw/zinc/74/19/19/538741919.db2.gz	RBUMXMQEFNAWNF-KRWDZBQOSA-N	1	0	374.485	1.827	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1C#N	ZINC000473310850	538768590	/nfs/dbraw/zinc/76/85/90/538768590.db2.gz	OPSDWXREANFWRT-INIZCTEOSA-N	1	0	354.454	1.996	20	30		FDEDRO
CC(=O)N1CC[C@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1	ZINC000479353216	538803778	/nfs/dbraw/zinc/80/37/78/538803778.db2.gz	ZAKZWLIDDPUGPX-SFHVURJKSA-N	1	0	354.454	1.529	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	ZINC000498325585	538825072	/nfs/dbraw/zinc/82/50/72/538825072.db2.gz	XZNWENVVABDXRS-KRWDZBQOSA-N	1	0	365.518	1.808	20	30		FDEDRO
CCN1CCC([NH+]2CCC(C(=O)N=c3ccn(CCC#N)[nH]3)CC2)CC1	ZINC000561248192	545770074	/nfs/dbraw/zinc/77/00/74/545770074.db2.gz	HFNDDXKXRFYPTB-UHFFFAOYSA-N	1	0	358.490	1.932	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H](OCC)C23CCCC3)CC1	ZINC000561414803	545837804	/nfs/dbraw/zinc/83/78/04/545837804.db2.gz	ODMYPUPKYQNTRB-IAGOWNOFSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCO[C@H]2c2ccccc2)CC1	ZINC000561414423	545837893	/nfs/dbraw/zinc/83/78/93/545837893.db2.gz	AQZMFCHMJMQWGO-MSOLQXFVSA-N	1	0	357.454	1.399	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000561678324	545925137	/nfs/dbraw/zinc/92/51/37/545925137.db2.gz	LKENXEUZDIWPBS-HZPDHXFCSA-N	1	0	351.491	1.465	20	30		FDEDRO
C[NH+](C)CCOc1cnccc1CNC(=O)NCc1ccc(C#N)cc1	ZINC000561704175	545932666	/nfs/dbraw/zinc/93/26/66/545932666.db2.gz	VZLKWEXFSPMSGV-UHFFFAOYSA-N	1	0	353.426	1.893	20	30		FDEDRO
CN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000562349818	546103906	/nfs/dbraw/zinc/10/39/06/546103906.db2.gz	UZGVXGDOXRJZOW-GOSISDBHSA-N	1	0	369.469	1.396	20	30		FDEDRO
N#Cc1cccc(OC2CCN(C(=O)NC[C@@H]3C[NH2+]CCCO3)CC2)c1	ZINC000562820919	546283621	/nfs/dbraw/zinc/28/36/21/546283621.db2.gz	NYYWCWPCTDGTAY-SFHVURJKSA-N	1	0	358.442	1.490	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)nc1	ZINC000562998247	546348692	/nfs/dbraw/zinc/34/86/92/546348692.db2.gz	DDIIBCCVSBWVER-IRXDYDNUSA-N	1	0	372.450	1.632	20	30		FDEDRO
CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1	ZINC000563038495	546366424	/nfs/dbraw/zinc/36/64/24/546366424.db2.gz	MNYHIGUZMVBVPI-QGZVFWFLSA-N	1	0	371.485	1.353	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)C(C)C	ZINC000563232802	546458274	/nfs/dbraw/zinc/45/82/74/546458274.db2.gz	KWMWKYCRQFVBFI-HZPDHXFCSA-N	1	0	372.535	1.018	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)ncc1C#N	ZINC000563386134	546512452	/nfs/dbraw/zinc/51/24/52/546512452.db2.gz	PZFRHLYTBZUQBH-HNNXBMFYSA-N	1	0	355.442	1.391	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCC(=O)N2CCCCCC2)cc1	ZINC000563529322	546574639	/nfs/dbraw/zinc/57/46/39/546574639.db2.gz	ZDRAORDMXQZGAZ-UHFFFAOYSA-N	1	0	363.483	1.714	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1	ZINC000563617996	546616730	/nfs/dbraw/zinc/61/67/30/546616730.db2.gz	MSYHIAFSIGISKS-DZGCQCFKSA-N	1	0	354.857	1.854	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)[C@H]1CCC[NH2+]C1	ZINC000564064401	546792713	/nfs/dbraw/zinc/79/27/13/546792713.db2.gz	QRRJLDPNEXUVJX-YTQUADARSA-N	1	0	355.486	1.794	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)NCCC3=CC[NH2+]CC3)C2=O)cc1	ZINC000564064660	546793940	/nfs/dbraw/zinc/79/39/40/546793940.db2.gz	ZZBWMFWLIUOBRH-SFHVURJKSA-N	1	0	367.453	1.268	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)NCc1ccc(CC#N)cc1)[N@@H+]1CCC[C@@H](C)C1	ZINC000564084257	546801573	/nfs/dbraw/zinc/80/15/73/546801573.db2.gz	SWRHPPVAFXSSNH-CVEARBPZSA-N	1	0	356.470	1.605	20	30		FDEDRO
CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC(=O)Nc3oc(C)c(C)c3C#N)[C@@H]2C1	ZINC000564153174	546823819	/nfs/dbraw/zinc/82/38/19/546823819.db2.gz	UQOJINUDGTUGTB-USXIJHARSA-N	1	0	358.442	1.943	20	30		FDEDRO
C=CCn1cc(CNC(=O)C2CC[NH+](C3CCN(CC)CC3)CC2)nn1	ZINC000564352733	546889664	/nfs/dbraw/zinc/88/96/64/546889664.db2.gz	TZYTWARCQBNEMA-UHFFFAOYSA-N	1	0	360.506	1.277	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCC[NH2+]CC)cc1	ZINC000564713507	547012028	/nfs/dbraw/zinc/01/20/28/547012028.db2.gz	QAHRGCRRUOIBMV-UHFFFAOYSA-N	1	0	354.476	1.614	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)c1	ZINC000565190376	547243991	/nfs/dbraw/zinc/24/39/91/547243991.db2.gz	SSTRZNJWKGNZAF-GOSISDBHSA-N	1	0	370.453	1.519	20	30		FDEDRO
CN(C)C(=O)C1(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCCC1	ZINC000565299305	547296589	/nfs/dbraw/zinc/29/65/89/547296589.db2.gz	GYDQCJJTAUBTRT-UHFFFAOYSA-N	1	0	363.483	1.570	20	30		FDEDRO
N#Cc1cccc(NC(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1	ZINC000565357018	547318044	/nfs/dbraw/zinc/31/80/44/547318044.db2.gz	FYURYEDNWMYBTE-NVXWUHKLSA-N	1	0	355.442	1.670	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)n1	ZINC000566195202	547653220	/nfs/dbraw/zinc/65/32/20/547653220.db2.gz	FKDZOABDGKFZNJ-UHFFFAOYSA-N	1	0	373.482	1.370	20	30		FDEDRO
N#Cc1ccc(OCC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1	ZINC000566408203	547744332	/nfs/dbraw/zinc/74/43/32/547744332.db2.gz	UPCKVKLFRIBVOR-AEFFLSMTSA-N	1	0	370.453	1.044	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2[C@@H](C)C[NH+](CC)C[C@@H]2C)c1	ZINC000566466874	547771691	/nfs/dbraw/zinc/77/16/91/547771691.db2.gz	QEGCEMRPTFCHHW-GJZGRUSLSA-N	1	0	365.499	1.706	20	30		FDEDRO
C[NH+](C)CCOc1cnccc1CNS(=O)(=O)CC1(C#N)CCC1	ZINC000566589444	547817972	/nfs/dbraw/zinc/81/79/72/547817972.db2.gz	XVZYDDJBCOPHCA-UHFFFAOYSA-N	1	0	352.460	1.135	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C	ZINC000566659222	547841908	/nfs/dbraw/zinc/84/19/08/547841908.db2.gz	UUDNZNBUYWNLNT-INIZCTEOSA-N	1	0	358.442	1.742	20	30		FDEDRO
Cc1c(C)n(C2CCCC2)c(NC(=O)CN2C[C@H](O)[C@@H]([NH+](C)C)C2)c1C#N	ZINC000566924561	547933400	/nfs/dbraw/zinc/93/34/00/547933400.db2.gz	WNVSHCAYFDFZDM-ROUUACIJSA-N	1	0	373.501	1.637	20	30		FDEDRO
C[N@H+](C[C@@H](O)CN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1)C1CC1	ZINC000567002411	547960370	/nfs/dbraw/zinc/96/03/70/547960370.db2.gz	OKKHKFOPHDHXLD-MOPGFXCFSA-N	1	0	362.905	1.977	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1	ZINC000567378015	548098110	/nfs/dbraw/zinc/09/81/10/548098110.db2.gz	MKPDRCQIJROXGS-OLMNPRSZSA-N	1	0	352.429	1.506	20	30		FDEDRO
C[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)N1CCC[C@H](C)C1	ZINC000567679201	548207982	/nfs/dbraw/zinc/20/79/82/548207982.db2.gz	OUNZILWPAGWETQ-LSDHHAIUSA-N	1	0	350.488	1.437	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1cccc(C#N)n1	ZINC000567835179	548280768	/nfs/dbraw/zinc/28/07/68/548280768.db2.gz	DAOIBEFGGKPKIQ-PBHICJAKSA-N	1	0	363.421	1.528	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H]([NH2+]CCC(=O)Nc3cccnc3)C2=O)cc1	ZINC000568502187	548562453	/nfs/dbraw/zinc/56/24/53/548562453.db2.gz	HCBRBAYKRKXEHP-GOSISDBHSA-N	1	0	363.421	1.673	20	30		FDEDRO
C[C@@H](CCNCCS(=O)(=O)c1ccc(C#N)cn1)[NH+]1CCCCC1	ZINC000569569002	548964231	/nfs/dbraw/zinc/96/42/31/548964231.db2.gz	NZESIHJEKZHNNM-HNNXBMFYSA-N	1	0	350.488	1.581	20	30		FDEDRO
N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CC[C@H]2CCNC2=O)CC1	ZINC000569658048	548996930	/nfs/dbraw/zinc/99/69/30/548996930.db2.gz	ADPLNHMWATUAPG-CYBMUJFWSA-N	1	0	355.398	1.454	20	30		FDEDRO
Cn1ncc2c1nc(N)nc2N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000569708032	549021107	/nfs/dbraw/zinc/02/11/07/549021107.db2.gz	GZCAZLATGNYLAS-UHFFFAOYSA-N	1	0	362.441	1.529	20	30		FDEDRO
N#Cc1nccc(NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)n1	ZINC000569824298	549062097	/nfs/dbraw/zinc/06/20/97/549062097.db2.gz	GJAKGGKAXLXIHU-UHFFFAOYSA-N	1	0	350.426	1.080	20	30		FDEDRO
C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)NCc2ccc(CC#N)cc2)cc1	ZINC000569927692	549097585	/nfs/dbraw/zinc/09/75/85/549097585.db2.gz	GUAUMRJOINBYMI-AWEZNQCLSA-N	1	0	350.422	1.705	20	30		FDEDRO
CSc1ccc([C@@H](CNC(=O)[C@@H](C)n2cnc(C#N)n2)[NH+](C)C)cc1	ZINC000569959820	549110489	/nfs/dbraw/zinc/11/04/89/549110489.db2.gz	FDYRWMHYVZVBNW-IUODEOHRSA-N	1	0	358.471	1.852	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N=c2ccn(C3CC[NH+](C)CC3)[nH]2)c1C#N	ZINC000570118591	549165377	/nfs/dbraw/zinc/16/53/77/549165377.db2.gz	GTITUXYNKBRBBW-UHFFFAOYSA-N	1	0	366.425	1.907	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1	ZINC000570380200	549257933	/nfs/dbraw/zinc/25/79/33/549257933.db2.gz	JOLODLHBBALHQM-OAHLLOKOSA-N	1	0	356.426	1.496	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]C2CCN(c3cccnn3)CC2)cc1	ZINC000570509840	549305456	/nfs/dbraw/zinc/30/54/56/549305456.db2.gz	OVDVZQBRDIKCIZ-SFHVURJKSA-N	1	0	367.453	1.541	20	30		FDEDRO
N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H](c3ccnc(N)n3)C2)c1	ZINC000570689924	549376727	/nfs/dbraw/zinc/37/67/27/549376727.db2.gz	BFRDTFRIMGHKBK-HNNXBMFYSA-N	1	0	350.426	2.139	20	30		FDEDRO
C[C@@H](NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CCC[NH2+]C1	ZINC000570786056	549409899	/nfs/dbraw/zinc/40/98/99/549409899.db2.gz	WSUOQPDSBYITPH-VQIMIIECSA-N	1	0	355.486	1.774	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1	ZINC000570815803	549422721	/nfs/dbraw/zinc/42/27/21/549422721.db2.gz	BHNOQLKBORODOB-QZTJIDSGSA-N	1	0	363.483	1.606	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCN(c3ccccc3F)C2=O)cc1	ZINC000570921212	549460752	/nfs/dbraw/zinc/46/07/52/549460752.db2.gz	QDYHVKPNJANNHE-YJBOKZPZSA-N	1	0	369.396	1.832	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc3ccccc3n2)CC1	ZINC000570988736	549485402	/nfs/dbraw/zinc/48/54/02/549485402.db2.gz	BMCGVIQLFLTYMW-UHFFFAOYSA-N	1	0	352.438	1.618	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCc2ccc3c(c2)OCO3)nc1	ZINC000571480456	549660034	/nfs/dbraw/zinc/66/00/34/549660034.db2.gz	KZXARJOFPBSBDU-UHFFFAOYSA-N	1	0	359.407	1.288	20	30		FDEDRO
N#Cc1c(F)cccc1N1CCN(C(=O)NCCC2=CC[NH2+]CC2)CC1	ZINC000571626339	549712173	/nfs/dbraw/zinc/71/21/73/549712173.db2.gz	PDJZMECIJUCFRS-UHFFFAOYSA-N	1	0	357.433	1.839	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]1[NH2+]CCCC1(C)C	ZINC000571657298	549725157	/nfs/dbraw/zinc/72/51/57/549725157.db2.gz	QIJNUYQDFPMKKW-ZBFHGGJFSA-N	1	0	371.489	1.347	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]1[NH2+]CCCC1(C)C	ZINC000571657297	549725392	/nfs/dbraw/zinc/72/53/92/549725392.db2.gz	QIJNUYQDFPMKKW-HOCLYGCPSA-N	1	0	371.489	1.347	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CCCOc2ccc3c(c2)NC(=O)CC3)CC1	ZINC000571853820	549781415	/nfs/dbraw/zinc/78/14/15/549781415.db2.gz	WTTQRNILVVDWHY-UHFFFAOYSA-N	1	0	370.453	1.834	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)NCC[C@H]3CC[NH2+]C3)C2=O)cc1	ZINC000572134974	549850184	/nfs/dbraw/zinc/85/01/84/549850184.db2.gz	NCWQGESJAUEZKK-WBVHZDCISA-N	1	0	355.442	1.352	20	30		FDEDRO
C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc(C#N)n1	ZINC000572155790	549854860	/nfs/dbraw/zinc/85/48/60/549854860.db2.gz	SHCDYNNISTZUKL-INIZCTEOSA-N	1	0	351.410	1.181	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)N1CCC([NH2+]CCOC)CC1	ZINC000572297089	549884927	/nfs/dbraw/zinc/88/49/27/549884927.db2.gz	GVCNCWXDCMWFSO-UHFFFAOYSA-N	1	0	363.458	1.064	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1	ZINC000572592131	549949938	/nfs/dbraw/zinc/94/99/38/549949938.db2.gz	WWLZOUVPQMAEAV-MRXNPFEDSA-N	1	0	354.520	1.112	20	30		FDEDRO
CCN(CC)C(=O)C[NH+]1CCC(NC(=O)Cc2cccc(C#N)c2)CC1	ZINC000572660291	549966761	/nfs/dbraw/zinc/96/67/61/549966761.db2.gz	CQVIJFHVWZSRNE-UHFFFAOYSA-N	1	0	356.470	1.550	20	30		FDEDRO
C[NH2+]CCCC(=O)N1CCC(NC(=O)Nc2cc(C#N)ccc2C)CC1	ZINC000573340063	550115767	/nfs/dbraw/zinc/11/57/67/550115767.db2.gz	GMLCFJXPLORLIH-UHFFFAOYSA-N	1	0	357.458	1.979	20	30		FDEDRO
Cn1c(C#N)ccc1C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000573413601	550131179	/nfs/dbraw/zinc/13/11/79/550131179.db2.gz	MUUTWTQFZUXAHB-SFHVURJKSA-N	1	0	351.454	1.615	20	30		FDEDRO
C=CCn1c(CC(F)(F)F)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1	ZINC000573563965	550165328	/nfs/dbraw/zinc/16/53/28/550165328.db2.gz	LBBRKEUNCYSUJR-AWEZNQCLSA-N	1	0	372.439	1.785	20	30		FDEDRO
C=CCn1c(CC(F)(F)F)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1	ZINC000573563969	550165395	/nfs/dbraw/zinc/16/53/95/550165395.db2.gz	LBBRKEUNCYSUJR-CQSZACIVSA-N	1	0	372.439	1.785	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NCc2cnc3c(C#N)cnn3c2)[C@H](C)C1	ZINC000574324584	550295970	/nfs/dbraw/zinc/29/59/70/550295970.db2.gz	RYUJXSLKWVMXNQ-QAPCUYQASA-N	1	0	356.474	1.828	20	30		FDEDRO
CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)Cc1ccc(CC#N)cc1	ZINC000574395537	550307279	/nfs/dbraw/zinc/30/72/79/550307279.db2.gz	BLOCVJFWCFIPMR-UHFFFAOYSA-N	1	0	364.515	1.152	20	30		FDEDRO
CC[NH+](CC)CCS(=O)(=O)N1CCC(C#N)(c2ccccn2)CC1	ZINC000574798351	550372261	/nfs/dbraw/zinc/37/22/61/550372261.db2.gz	INDGQZISUAKCTP-UHFFFAOYSA-N	1	0	350.488	1.610	20	30		FDEDRO
COc1ccc(C[C@@H](CO)C[NH2+]Cc2cnc3ccc(C#N)cn23)cc1O	ZINC000575368849	550458290	/nfs/dbraw/zinc/45/82/90/550458290.db2.gz	VYMGMVLAOOHKFS-MRXNPFEDSA-N	1	0	366.421	1.861	20	30		FDEDRO
C=CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C2CCCC2)CC1	ZINC000575431891	550463200	/nfs/dbraw/zinc/46/32/00/550463200.db2.gz	QDDBJXIOODHBFF-UHFFFAOYSA-N	1	0	358.490	1.765	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000575922364	550491231	/nfs/dbraw/zinc/49/12/31/550491231.db2.gz	UVIGQHQSMXFORC-MNOVXSKESA-N	1	0	370.272	1.836	20	30		FDEDRO
CC(C)[C@@H](C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)N1CCOCC1	ZINC000575937473	550493182	/nfs/dbraw/zinc/49/31/82/550493182.db2.gz	MNNSGUJWAAIYEX-GOSISDBHSA-N	1	0	365.499	1.278	20	30		FDEDRO
C[NH2+][C@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000576212139	550523397	/nfs/dbraw/zinc/52/33/97/550523397.db2.gz	AHSKPTWTDQAUCM-DLBZAZTESA-N	1	0	355.442	1.053	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1	ZINC000576222382	550524735	/nfs/dbraw/zinc/52/47/35/550524735.db2.gz	KDDMJUNWXRZBNS-BZSNNMDCSA-N	1	0	350.507	1.387	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1	ZINC000577240486	550636162	/nfs/dbraw/zinc/63/61/62/550636162.db2.gz	POFLWFWALDDURX-UHFFFAOYSA-N	1	0	360.458	1.075	20	30		FDEDRO
C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)C(=O)NC[C@H]1CCS(=O)(=O)C1	ZINC000577667022	550681433	/nfs/dbraw/zinc/68/14/33/550681433.db2.gz	WKAYGBXHPRJRPM-QEORTHHSSA-N	1	0	361.467	1.075	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@H](CO)c2ccc(F)cc2)c1	ZINC000577730728	550688707	/nfs/dbraw/zinc/68/87/07/550688707.db2.gz	VNIDKAYSEGSZFY-MRXNPFEDSA-N	1	0	362.426	1.837	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC1CCC(N2CC[NH2+]CC2)CC1	ZINC000577831973	550699007	/nfs/dbraw/zinc/69/90/07/550699007.db2.gz	AZOILDXBQDCBRH-CPFNUKBASA-N	1	0	350.507	1.483	20	30		FDEDRO
CCCN(C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CC[NH2+]C1	ZINC000578121773	550730066	/nfs/dbraw/zinc/73/00/66/550730066.db2.gz	NDCJGAVTFPDWHP-ZWKOTPCHSA-N	1	0	369.469	1.837	20	30		FDEDRO
COc1cc(C[NH2+][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)ccc1C#N	ZINC000578590296	550779557	/nfs/dbraw/zinc/77/95/57/550779557.db2.gz	XLSBDQVODOKBSN-DOTOQJQBSA-N	1	0	350.440	1.393	20	30		FDEDRO
N#CCC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1	ZINC000578697618	550791526	/nfs/dbraw/zinc/79/15/26/550791526.db2.gz	LGRLMTDRNKXPLA-KRWDZBQOSA-N	1	0	372.444	1.622	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000578950783	550818044	/nfs/dbraw/zinc/81/80/44/550818044.db2.gz	OYTSAMWGNLQHJP-DLBZAZTESA-N	1	0	357.458	1.846	20	30		FDEDRO
C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)NCc1ccc(CC#N)cc1	ZINC000579472916	550877295	/nfs/dbraw/zinc/87/72/95/550877295.db2.gz	WISPXUUOFFMKEY-HZPDHXFCSA-N	1	0	356.470	1.748	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCN2CCc3ccccc3C2)nc1	ZINC000579887755	550920408	/nfs/dbraw/zinc/92/04/08/550920408.db2.gz	TVEBICNAANQGMF-UHFFFAOYSA-N	1	0	370.478	1.375	20	30		FDEDRO
CC1(C)[C@H]([NH2+]CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@@H]1O	ZINC000579975652	550930321	/nfs/dbraw/zinc/93/03/21/550930321.db2.gz	YMVJIMOWYUEZKH-CABCVRRESA-N	1	0	354.372	1.922	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(c2cnccc2C#N)CC1	ZINC000580271031	550960893	/nfs/dbraw/zinc/96/08/93/550960893.db2.gz	JIRBQWDYEQDSMR-IRXDYDNUSA-N	1	0	370.501	1.905	20	30		FDEDRO
C=C(C)Cn1c(C(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1	ZINC000580585907	550997902	/nfs/dbraw/zinc/99/79/02/550997902.db2.gz	ZLQRTNARGCJSQI-OAHLLOKOSA-N	1	0	360.506	1.767	20	30		FDEDRO
C[NH+]1CCN(C[C@H](NC(=O)NCC2(CC#N)CC2)c2ccccc2)CC1	ZINC000580751172	551014150	/nfs/dbraw/zinc/01/41/50/551014150.db2.gz	PNZWEJXCHHXLDH-SFHVURJKSA-N	1	0	355.486	1.968	20	30		FDEDRO
C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H](O)Cc1ccccc1	ZINC000581071760	551049168	/nfs/dbraw/zinc/04/91/68/551049168.db2.gz	IXRFQVBIIKOQSD-PBHICJAKSA-N	1	0	359.451	1.309	20	30		FDEDRO
CC(C)[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)[C@H](O)C(F)(F)F	ZINC000581191065	551062038	/nfs/dbraw/zinc/06/20/38/551062038.db2.gz	KIQUCOZDAJABLW-STQMWFEESA-N	1	0	365.377	1.264	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)c1	ZINC000581284820	551071682	/nfs/dbraw/zinc/07/16/82/551071682.db2.gz	SSYOGVPPHATBLK-KRWDZBQOSA-N	1	0	363.483	1.824	20	30		FDEDRO
CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000581603487	551110670	/nfs/dbraw/zinc/11/06/70/551110670.db2.gz	YNGSBAZMOLMUMK-LSDHHAIUSA-N	1	0	370.496	1.277	20	30		FDEDRO
C[NH2+]CCSCC(=O)N1CCN([C@H](C#N)c2ccc(OC)cc2)CC1	ZINC000581605975	551111179	/nfs/dbraw/zinc/11/11/79/551111179.db2.gz	JXRAZLDKYAETRA-QGZVFWFLSA-N	1	0	362.499	1.357	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1	ZINC000581655708	551117355	/nfs/dbraw/zinc/11/73/55/551117355.db2.gz	SGQMPFIUFZTHDS-OAHLLOKOSA-N	1	0	356.426	1.353	20	30		FDEDRO
N#Cc1cnn2c1NC[C@@H](C[NH2+]C[C@H]1CC[C@@H](c3nc(C4CC4)no3)O1)C2	ZINC000582003413	551162063	/nfs/dbraw/zinc/16/20/63/551162063.db2.gz	IRWLYWFZYPYSAD-DFBGVHRSSA-N	1	0	369.429	1.567	20	30		FDEDRO
CCN1CC[NH+](CCCCNC(=O)NCc2ccc(C#N)c(OC)c2)CC1	ZINC000582393170	551217629	/nfs/dbraw/zinc/21/76/29/551217629.db2.gz	OADNYRHJHDEWOZ-UHFFFAOYSA-N	1	0	373.501	1.784	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@@H](CCO)c1ccccc1Br	ZINC000582486181	551230841	/nfs/dbraw/zinc/23/08/41/551230841.db2.gz	HJPOVAHPGPRAMK-BBRMVZONSA-N	1	0	370.291	1.669	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1F	ZINC000583630869	551379710	/nfs/dbraw/zinc/37/97/10/551379710.db2.gz	XWADNUQCTWQIEV-CYBMUJFWSA-N	1	0	353.419	1.073	20	30		FDEDRO
C=CCOc1cccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1	ZINC000584224473	551465929	/nfs/dbraw/zinc/46/59/29/551465929.db2.gz	XWEAFFXNCCFJEJ-MRXNPFEDSA-N	1	0	353.488	1.612	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC3(CCOCC3)[C@@H]2C)CC1	ZINC000584343034	551483096	/nfs/dbraw/zinc/48/30/96/551483096.db2.gz	UYBCNWPFLDUKDW-INIZCTEOSA-N	1	0	363.502	1.561	20	30		FDEDRO
CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000584580532	551521445	/nfs/dbraw/zinc/52/14/45/551521445.db2.gz	GPADHCQTPKLXBV-INIZCTEOSA-N	1	0	356.474	1.563	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1Cl	ZINC000584593533	551523186	/nfs/dbraw/zinc/52/31/86/551523186.db2.gz	CZXPVZNXTDHLIG-CYBMUJFWSA-N	1	0	369.874	1.588	20	30		FDEDRO
CNC(=O)CC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000586785699	551619349	/nfs/dbraw/zinc/61/93/49/551619349.db2.gz	OCYRSNXJIYSLQO-ZWKOTPCHSA-N	1	0	359.470	1.873	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c(F)c1	ZINC000586861933	551627196	/nfs/dbraw/zinc/62/71/96/551627196.db2.gz	DRKCAAAQJQBPGE-UHFFFAOYSA-N	1	0	372.444	1.790	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)[C@H](C)C1	ZINC000587720013	551635038	/nfs/dbraw/zinc/63/50/38/551635038.db2.gz	UIMBHFIVMUVEIN-RKVPGOIHSA-N	1	0	356.470	1.924	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1	ZINC000588056074	551643688	/nfs/dbraw/zinc/64/36/88/551643688.db2.gz	UFXXFFMXIVYKLB-LJQANCHMSA-N	1	0	368.481	1.896	20	30		FDEDRO
C[NH+](C)CCn1cc(NS(=O)(=O)c2cccc(CC#N)c2)ccc1=O	ZINC000589587206	551737053	/nfs/dbraw/zinc/73/70/53/551737053.db2.gz	LDTMSHMITDGPLN-UHFFFAOYSA-N	1	0	360.439	1.277	20	30		FDEDRO
Cc1c(C(=O)N[C@@]2(C#N)CC2(C)C)nnn1-c1cccc2c1CC[N@@H+](C)C2	ZINC000589812434	551746578	/nfs/dbraw/zinc/74/65/78/551746578.db2.gz	IAHQLGWQMFKZLQ-HXUWFJFHSA-N	1	0	364.453	1.986	20	30		FDEDRO
C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1	ZINC000590279269	551769558	/nfs/dbraw/zinc/76/95/58/551769558.db2.gz	AYLCVEPGGUAXNR-AAEUAGOBSA-N	1	0	364.352	1.261	20	30		FDEDRO
CC(C)C[C@H](NC(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000590397890	551779983	/nfs/dbraw/zinc/77/99/83/551779983.db2.gz	INWHRKKFMLZPRO-MSOLQXFVSA-N	1	0	356.470	1.865	20	30		FDEDRO
C[NH+](C)C[C@@H](CO)NC(=O)c1cccc(COc2cccc(C#N)c2)c1	ZINC000590549599	551790879	/nfs/dbraw/zinc/79/08/79/551790879.db2.gz	LBLCNGVCOVNQIT-SFHVURJKSA-N	1	0	353.422	1.790	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCC([N@@H+]2CCOC[C@H]2C)CC1	ZINC000590556175	551792042	/nfs/dbraw/zinc/79/20/42/551792042.db2.gz	YYMOGXLOCDNZQA-OAHLLOKOSA-N	1	0	373.453	1.657	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)c1	ZINC000590781306	551815885	/nfs/dbraw/zinc/81/58/85/551815885.db2.gz	ZURXXIRDWCGRKU-GOSISDBHSA-N	1	0	370.453	1.404	20	30		FDEDRO
N#Cc1cccc([N+](=O)[O-])c1CN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000590955102	551829918	/nfs/dbraw/zinc/82/99/18/551829918.db2.gz	XFGIBMXOERBFMK-KRWDZBQOSA-N	1	0	357.414	1.381	20	30		FDEDRO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]3COC[C@@H]32)CC1	ZINC000590971805	551831292	/nfs/dbraw/zinc/83/12/92/551831292.db2.gz	NMPNQBACBJDJJF-IKGGRYGDSA-N	1	0	374.510	1.568	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1	ZINC000591282550	551855942	/nfs/dbraw/zinc/85/59/42/551855942.db2.gz	BUYVBRYYXIUNNM-IAGOWNOFSA-N	1	0	369.469	1.979	20	30		FDEDRO
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NC1C[NH2+]C1	ZINC000591295170	551857653	/nfs/dbraw/zinc/85/76/53/551857653.db2.gz	BBIRKJCHXURKJZ-UHFFFAOYSA-N	1	0	372.372	1.738	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)CCO1	ZINC000591299649	551858139	/nfs/dbraw/zinc/85/81/39/551858139.db2.gz	QXAREPJRFVBDSX-MFKMUULPSA-N	1	0	364.471	1.430	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c1	ZINC000591304761	551859697	/nfs/dbraw/zinc/85/96/97/551859697.db2.gz	NRAGGCHEAQYIMQ-YPMHNXCESA-N	1	0	364.352	1.309	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1F	ZINC000591308365	551860150	/nfs/dbraw/zinc/86/01/50/551860150.db2.gz	UEJHCYHUXMDAKN-HUUCEWRRSA-N	1	0	358.417	1.874	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@@H]3CCC[NH2+]CC3)C2=O)cc1	ZINC000591356497	551865601	/nfs/dbraw/zinc/86/56/01/551865601.db2.gz	AJGGQVWZXFMCSJ-NVXWUHKLSA-N	1	0	355.442	1.495	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@@H]4CC[NH2+][C@H]4C3)C2=O)cc1	ZINC000591357125	551865710	/nfs/dbraw/zinc/86/57/10/551865710.db2.gz	NPTIFYYZEVMFOV-BZSNNMDCSA-N	1	0	367.453	1.053	20	30		FDEDRO
N#Cc1cnc2ccccc2c1N1CCN(C(=O)NCC[NH2+]C2CC2)CC1	ZINC000591359022	551865874	/nfs/dbraw/zinc/86/58/74/551865874.db2.gz	AUDLZZXCSAFJJU-UHFFFAOYSA-N	1	0	364.453	1.690	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC[C@H](C)[NH3+])c1ccc(-c2cccc(C#N)c2)cc1	ZINC000591374433	551867059	/nfs/dbraw/zinc/86/70/59/551867059.db2.gz	AKPBZLKZXKJFBY-UONOGXRCSA-N	1	0	350.422	1.866	20	30		FDEDRO
C[NH+](C)CCCOc1ccc(NC(=O)C(=O)NCC2(C#N)CCC2)cc1	ZINC000591418359	551869249	/nfs/dbraw/zinc/86/92/49/551869249.db2.gz	DNSRKOHBEMVBRR-UHFFFAOYSA-N	1	0	358.442	1.766	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCN2CCCCCC2=O)cc1	ZINC000591723257	551903209	/nfs/dbraw/zinc/90/32/09/551903209.db2.gz	PKODDKPWRUVCHK-UHFFFAOYSA-N	1	0	363.483	1.714	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1	ZINC000591728251	551904028	/nfs/dbraw/zinc/90/40/28/551904028.db2.gz	DCCFNWVFHFKWAP-QAPCUYQASA-N	1	0	350.894	1.962	20	30		FDEDRO
CC1(C)CN(CC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCO1	ZINC000591730023	551904103	/nfs/dbraw/zinc/90/41/03/551904103.db2.gz	SDLRAEIEYGCASA-UHFFFAOYSA-N	1	0	351.472	1.032	20	30		FDEDRO
COc1ccc(Br)cc1C[NH2+]C[C@H](O)CN(C)CCC#N	ZINC000591728835	551904316	/nfs/dbraw/zinc/90/43/16/551904316.db2.gz	VNNNGYYGDPSFJY-AWEZNQCLSA-N	1	0	356.264	1.754	20	30		FDEDRO
CC(C)[C@H](CNC(=O)NCc1ccc(CC#N)cc1)[NH+]1CCN(C)CC1	ZINC000591903015	551914963	/nfs/dbraw/zinc/91/49/63/551914963.db2.gz	IDHKPIJNBKDHBX-IBGZPJMESA-N	1	0	357.502	1.824	20	30		FDEDRO
N#CC[C@@]1(O)CCN(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1	ZINC000591909455	551915363	/nfs/dbraw/zinc/91/53/63/551915363.db2.gz	QTQDXTKAOPJBDG-HXUWFJFHSA-N	1	0	371.485	1.259	20	30		FDEDRO
C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[C@](O)(CC#N)C2)CC1	ZINC000591992412	551924297	/nfs/dbraw/zinc/92/42/97/551924297.db2.gz	LSFCMOQLPFNVBA-HNAYVOBHSA-N	1	0	357.458	1.667	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN(S(=O)(=O)Cc1cc(C#N)ccc1F)CCO2	ZINC000592102974	551942059	/nfs/dbraw/zinc/94/20/59/551942059.db2.gz	DVYMPWOAQYTINP-UHFFFAOYSA-N	1	0	367.446	1.324	20	30		FDEDRO
CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1	ZINC000592184795	551955102	/nfs/dbraw/zinc/95/51/02/551955102.db2.gz	LALOJOORRXJOEN-INIZCTEOSA-N	1	0	368.359	1.887	20	30		FDEDRO
N#CCCC1CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1	ZINC000592216452	551961774	/nfs/dbraw/zinc/96/17/74/551961774.db2.gz	MJEMADHFOKXWHU-CQSZACIVSA-N	1	0	361.412	1.548	20	30		FDEDRO
CCCN(C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C)[C@H]1CC[N@H+](C)C1	ZINC000592248723	551967066	/nfs/dbraw/zinc/96/70/66/551967066.db2.gz	RJZDAGSDEDPWMP-INIZCTEOSA-N	1	0	367.457	2.395	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(C(=O)Nc2cccc(C#N)n2)CC1	ZINC000592263410	551969634	/nfs/dbraw/zinc/96/96/34/551969634.db2.gz	RRXWLFDBUMEPOM-UHFFFAOYSA-N	1	0	361.446	1.544	20	30		FDEDRO
C=CCSc1ccccc1NC(=O)CN1CCC[NH2+]C[C@@H]1C(=O)OC	ZINC000592492469	552001779	/nfs/dbraw/zinc/00/17/79/552001779.db2.gz	RKLISGBFBWILJE-OAHLLOKOSA-N	1	0	363.483	1.740	20	30		FDEDRO
CC(=O)NCC[N@H+](C[C@@H]1CNc2c(C#N)cnn2C1)C1CCSCC1	ZINC000592510027	552003674	/nfs/dbraw/zinc/00/36/74/552003674.db2.gz	MOVLKNJAJUGNFC-AWEZNQCLSA-N	1	0	362.503	1.130	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCCNC(=O)Cc2cccc(F)c2)CC1	ZINC000592513503	552003989	/nfs/dbraw/zinc/00/39/89/552003989.db2.gz	QJINCVHKUBMSOQ-UHFFFAOYSA-N	1	0	362.449	1.434	20	30		FDEDRO
CN(Cc1cnc2c(C#N)cnn2c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000592513104	552004024	/nfs/dbraw/zinc/00/40/24/552004024.db2.gz	WGSDEMGSKGHYHR-SFHVURJKSA-N	1	0	353.474	1.201	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NCc3cccnn3)CC2)c1	ZINC000593395846	552101719	/nfs/dbraw/zinc/10/17/19/552101719.db2.gz	JLKYNTLCDOJUBS-UHFFFAOYSA-N	1	0	350.426	1.812	20	30		FDEDRO
N#CC1(CNC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CCCC1	ZINC000593425783	552107038	/nfs/dbraw/zinc/10/70/38/552107038.db2.gz	QEDOJBBDDTWRKT-GOSISDBHSA-N	1	0	356.470	1.789	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NCCN3CCCC3=O)CC2)c1	ZINC000593463197	552112589	/nfs/dbraw/zinc/11/25/89/552112589.db2.gz	PNZWNKZAWDTXHE-UHFFFAOYSA-N	1	0	369.469	1.444	20	30		FDEDRO
CN(Cc1nncn1C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593516353	552121118	/nfs/dbraw/zinc/12/11/18/552121118.db2.gz	NXTAJABOAOWLRP-UHFFFAOYSA-N	1	0	367.457	1.493	20	30		FDEDRO
CC[N@H+](CCNS(=O)(=O)c1ccc(C#N)cc1C(=O)OC)C1CC1	ZINC000593540072	552127549	/nfs/dbraw/zinc/12/75/49/552127549.db2.gz	IZUITEXKNLUJGN-UHFFFAOYSA-N	1	0	351.428	1.107	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCC[C@@H]1CCC[N@H+](C)C1	ZINC000593605270	552150043	/nfs/dbraw/zinc/15/00/43/552150043.db2.gz	FHHLKTNRYLXNIS-ZDUSSCGKSA-N	1	0	365.455	1.355	20	30		FDEDRO
COCC[NH2+]C1CCN(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)CC1	ZINC000593729387	552184738	/nfs/dbraw/zinc/18/47/38/552184738.db2.gz	ZIECRVMJBFUMDN-UHFFFAOYSA-N	1	0	365.499	1.877	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cnn4c3OCCC4)CC2)c1	ZINC000593885583	552217334	/nfs/dbraw/zinc/21/73/34/552217334.db2.gz	FUIMWUFHUOENJL-UHFFFAOYSA-N	1	0	365.437	1.932	20	30		FDEDRO
COCC[N@H+](C)C[C@@H](O)CN1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000593986837	552234774	/nfs/dbraw/zinc/23/47/74/552234774.db2.gz	IGMMUGHNDUXOMZ-MRXNPFEDSA-N	1	0	365.449	1.480	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)CC1	ZINC000594283801	552277142	/nfs/dbraw/zinc/27/71/42/552277142.db2.gz	UKNACMJQFYSPLL-KRWDZBQOSA-N	1	0	370.497	1.749	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2Cc3ccc(C#N)cc3C2)CC1=O	ZINC000594404546	552304629	/nfs/dbraw/zinc/30/46/29/552304629.db2.gz	IOIVVPCUSFMRRK-OALUTQOASA-N	1	0	366.465	1.733	20	30		FDEDRO
C[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000594427515	552308527	/nfs/dbraw/zinc/30/85/27/552308527.db2.gz	INPCGVGNHCFDRW-CJNGLKHVSA-N	1	0	366.487	1.525	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)NC[C@H](Cc1ccccc1Cl)C(N)=O	ZINC000594433945	552309100	/nfs/dbraw/zinc/30/91/00/552309100.db2.gz	IYNMFVPPTHAWPD-ZFWWWQNUSA-N	1	0	350.850	1.511	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NCCN(C)C(=O)[C@H]([NH3+])CCCCC#N)cc1	ZINC000594432522	552309135	/nfs/dbraw/zinc/30/91/35/552309135.db2.gz	CFNKOAOUAXQFPA-MRXNPFEDSA-N	1	0	366.487	1.143	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H](Cc1ccccc1Cl)C(N)=O	ZINC000594433943	552309210	/nfs/dbraw/zinc/30/92/10/552309210.db2.gz	IYNMFVPPTHAWPD-UKRRQHHQSA-N	1	0	350.850	1.511	20	30		FDEDRO
CN1CCN(C(=O)c2ccc(CNC(=O)[C@H]([NH3+])CCCCC#N)cc2)CC1	ZINC000594440488	552311078	/nfs/dbraw/zinc/31/10/78/552311078.db2.gz	DJLQBMMAGBZHEP-GOSISDBHSA-N	1	0	371.485	1.102	20	30		FDEDRO
CCNS(=O)(=O)c1ccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)cc1	ZINC000594445544	552312283	/nfs/dbraw/zinc/31/22/83/552312283.db2.gz	HGVAFOSLCBSRTR-HNNXBMFYSA-N	1	0	352.460	1.012	20	30		FDEDRO
CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]([NH3+])CCCCC#N)CC2	ZINC000594448036	552312579	/nfs/dbraw/zinc/31/25/79/552312579.db2.gz	YWKNNJYSJHVJFD-HNNXBMFYSA-N	1	0	364.471	1.237	20	30		FDEDRO
C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)[C@@H]([NH3+])CCCCC#N	ZINC000594455616	552314102	/nfs/dbraw/zinc/31/41/02/552314102.db2.gz	ADDKTEDVYQVSJK-ZBFHGGJFSA-N	1	0	366.487	1.271	20	30		FDEDRO
COC(=O)c1ccc(NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c(C#N)n1	ZINC000594548210	552332341	/nfs/dbraw/zinc/33/23/41/552332341.db2.gz	RBBNSIYUVPZIEY-MRXNPFEDSA-N	1	0	359.430	1.094	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12	ZINC000594625526	552344564	/nfs/dbraw/zinc/34/45/64/552344564.db2.gz	KJAZDQRJGJXKTA-MSOLQXFVSA-N	1	0	354.454	1.650	20	30		FDEDRO
CS(=O)(=O)C1(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CCCCC1	ZINC000594732476	552366553	/nfs/dbraw/zinc/36/65/53/552366553.db2.gz	LKNJVYFAMOJYTP-MRXNPFEDSA-N	1	0	366.483	1.635	20	30		FDEDRO
N#Cc1cncc(S(=O)(=O)NCC2CC[NH+](C3CCOCC3)CC2)c1	ZINC000594802380	552390564	/nfs/dbraw/zinc/39/05/64/552390564.db2.gz	OVJKHLWUOAWZQX-UHFFFAOYSA-N	1	0	364.471	1.123	20	30		FDEDRO
N#CCCCCS(=O)(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1	ZINC000594819549	552397887	/nfs/dbraw/zinc/39/78/87/552397887.db2.gz	KNQVMIYZZGLLDL-QGZVFWFLSA-N	1	0	351.472	1.366	20	30		FDEDRO
N#CC1(c2ccc(C[NH2+][C@H]3CCN(CCN4CCOCC4)C3)cc2)CC1	ZINC000594922058	552424011	/nfs/dbraw/zinc/42/40/11/552424011.db2.gz	IAHUPOVKKHKFGO-FQEVSTJZSA-N	1	0	354.498	1.738	20	30		FDEDRO
N#Cc1cccc(C[NH2+]C[C@@]2(CO)COCCN2Cc2ccccc2)c1	ZINC000594988677	552432703	/nfs/dbraw/zinc/43/27/03/552432703.db2.gz	AWCOBBYGOPDQMF-OAQYLSRUSA-N	1	0	351.450	1.911	20	30		FDEDRO
CCN(C(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1)[C@H]1CC[N@H+](C)C1	ZINC000595105814	552452246	/nfs/dbraw/zinc/45/22/46/552452246.db2.gz	YXUPAQKRKHUGOJ-INIZCTEOSA-N	1	0	358.442	1.837	20	30		FDEDRO
C[C@]1(C#N)CCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1	ZINC000595153775	552469652	/nfs/dbraw/zinc/46/96/52/552469652.db2.gz	PAFSVPBLQXDAKC-FXAWDEMLSA-N	1	0	360.502	1.863	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1	ZINC000595196127	552486538	/nfs/dbraw/zinc/48/65/38/552486538.db2.gz	HNPZAFKZTMKNMT-INIZCTEOSA-N	1	0	356.426	1.175	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1	ZINC000595196976	552486942	/nfs/dbraw/zinc/48/69/42/552486942.db2.gz	PMFOPZHDJQFMPZ-QGZVFWFLSA-N	1	0	356.426	1.175	20	30		FDEDRO
Cc1cc(NC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)nn1CCC#N	ZINC000595235847	552501050	/nfs/dbraw/zinc/50/10/50/552501050.db2.gz	WKKBPNZSWNKDOE-MRXNPFEDSA-N	1	0	354.414	2.410	20	30		FDEDRO
CC[NH2+]Cc1cccc(NC(=O)C(=O)NCCc2ccc(C#N)cc2)c1	ZINC000595240957	552502702	/nfs/dbraw/zinc/50/27/02/552502702.db2.gz	YCULCQTWSKADLF-UHFFFAOYSA-N	1	0	350.422	1.965	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)cc1C#N	ZINC000595242193	552503706	/nfs/dbraw/zinc/50/37/06/552503706.db2.gz	JCIHHKVYEDIQBM-UHFFFAOYSA-N	1	0	356.386	1.621	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)ccc1OC(F)(F)F	ZINC000595247193	552504307	/nfs/dbraw/zinc/50/43/07/552504307.db2.gz	CIBWYLORYMWCTM-UHFFFAOYSA-N	1	0	368.315	1.264	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC12CC(C1)C[NH2+]2	ZINC000595247255	552504391	/nfs/dbraw/zinc/50/43/91/552504391.db2.gz	DBQDCMYBLYATCD-WHENESEISA-N	1	0	358.467	1.745	20	30		FDEDRO
CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000595274163	552509967	/nfs/dbraw/zinc/50/99/67/552509967.db2.gz	QUOSBLWGNDFLNZ-SJORKVTESA-N	1	0	357.458	1.332	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1	ZINC000595284203	552511601	/nfs/dbraw/zinc/51/16/01/552511601.db2.gz	OJRATNFIGUPVGS-MRXNPFEDSA-N	1	0	353.532	1.650	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)Cc2ccc(F)cc2C#N)CCO1	ZINC000595403800	552551005	/nfs/dbraw/zinc/55/10/05/552551005.db2.gz	IPNBNYLZAJDTSB-QGZVFWFLSA-N	1	0	369.462	1.570	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)CCO1	ZINC000595405199	552551650	/nfs/dbraw/zinc/55/16/50/552551650.db2.gz	VKZODTOXGDWRTA-OAHLLOKOSA-N	1	0	371.890	1.943	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)cc1	ZINC000595470730	552567995	/nfs/dbraw/zinc/56/79/95/552567995.db2.gz	QYSCZWJGDZDDOJ-VQTJNVASSA-N	1	0	373.497	1.679	20	30		FDEDRO
C=CCCSCCNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000595499710	552573289	/nfs/dbraw/zinc/57/32/89/552573289.db2.gz	AMQOPFRIRPCULX-UHFFFAOYSA-N	1	0	356.536	1.538	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)cc1	ZINC000595527176	552579078	/nfs/dbraw/zinc/57/90/78/552579078.db2.gz	PNQQAFRGSPFHMM-MLYOOKFZSA-N	1	0	360.454	1.354	20	30		FDEDRO
C[NH+]1CCN(C[C@H](NC(=O)N2CC[C@](C)(C#N)C2)c2ccccc2)CC1	ZINC000595547104	552582222	/nfs/dbraw/zinc/58/22/22/552582222.db2.gz	OHCUNHYROKNFGP-AZUAARDMSA-N	1	0	355.486	1.920	20	30		FDEDRO
CN(C[C@H]1COCCO1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000595653209	552597727	/nfs/dbraw/zinc/59/77/27/552597727.db2.gz	KNMREXQIJPLOGG-IBGZPJMESA-N	1	0	372.469	1.579	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1	ZINC000595697800	552603871	/nfs/dbraw/zinc/60/38/71/552603871.db2.gz	KSCBJVLYSCPFDV-MRXNPFEDSA-N	1	0	356.474	1.658	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000595706296	552604796	/nfs/dbraw/zinc/60/47/96/552604796.db2.gz	YKNHHEZZOVVQIY-CVEARBPZSA-N	1	0	357.458	1.989	20	30		FDEDRO
C[N@H+](CCc1ccccc1)[C@H]1CCN(CC(=O)N(CCC#N)CCC#N)C1	ZINC000595747361	552610513	/nfs/dbraw/zinc/61/05/13/552610513.db2.gz	CJVUWIGATXYJOU-FQEVSTJZSA-N	1	0	367.497	1.891	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H]1C[C@H](O)C12CCC2	ZINC000595776336	552614051	/nfs/dbraw/zinc/61/40/51/552614051.db2.gz	AMHZDKQNPGNSFQ-IRXDYDNUSA-N	1	0	374.485	1.845	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@H+](CCN2CCOCC2)CC2CC2)cc1	ZINC000595806035	552618151	/nfs/dbraw/zinc/61/81/51/552618151.db2.gz	DMZFJWFSUCUUKT-LJQANCHMSA-N	1	0	359.470	1.342	20	30		FDEDRO
N#Cc1cccc(C2(NC(=O)c3csc(CC[NH3+])n3)CCOCC2)c1	ZINC000595968442	552639862	/nfs/dbraw/zinc/63/98/62/552639862.db2.gz	PVMFFTRWWBDHQH-UHFFFAOYSA-N	1	0	356.451	1.952	20	30		FDEDRO
CCc1nc(C#N)cc(NCc2ccccc2C[NH+]2CCC(O)CC2)n1	ZINC000596138687	552659443	/nfs/dbraw/zinc/65/94/43/552659443.db2.gz	BYUMBZGSUNKEFO-UHFFFAOYSA-N	1	0	351.454	2.479	20	30		FDEDRO
C=CC[N@@H+](CCCN1C(=O)CNC1=O)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000596213541	552665503	/nfs/dbraw/zinc/66/55/03/552665503.db2.gz	VBQLHJQEMBJYGV-AWEZNQCLSA-N	1	0	369.429	1.153	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1F	ZINC000596569056	552689969	/nfs/dbraw/zinc/68/99/69/552689969.db2.gz	DPXKGSXWDVYDGM-AWEZNQCLSA-N	1	0	358.417	1.874	20	30		FDEDRO
C[NH+](C)CCOCCNC(=O)N1CCN(c2ccsc2C#N)CC1	ZINC000596580512	552691404	/nfs/dbraw/zinc/69/14/04/552691404.db2.gz	NIIQLTCCFSFOAB-UHFFFAOYSA-N	1	0	351.476	1.030	20	30		FDEDRO
C[C@H](CCNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[NH+](C)C	ZINC000596584142	552691570	/nfs/dbraw/zinc/69/15/70/552691570.db2.gz	SYDBLXKPTOPHJT-RHSMWYFYSA-N	1	0	357.458	1.299	20	30		FDEDRO
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000596640929	552696111	/nfs/dbraw/zinc/69/61/11/552696111.db2.gz	QTQOFEBMNCSWMK-UHFFFAOYSA-N	1	0	351.838	1.695	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCC4(COC4)C3)CC2)c1	ZINC000596649368	552696819	/nfs/dbraw/zinc/69/68/19/552696819.db2.gz	ZKCOCHNWLLXCJN-UHFFFAOYSA-N	1	0	354.454	1.955	20	30		FDEDRO
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1ccc(C#N)cc1Cl	ZINC000596797131	552711615	/nfs/dbraw/zinc/71/16/15/552711615.db2.gz	QWIYECPXNKFEKL-UHFFFAOYSA-N	1	0	351.838	1.695	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C	ZINC000596837813	552716325	/nfs/dbraw/zinc/71/63/25/552716325.db2.gz	YHEYZTQXOPZHHK-HNNXBMFYSA-N	1	0	367.457	2.442	20	30		FDEDRO
Cc1cnc2nc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)nn2c1	ZINC000596973922	552730375	/nfs/dbraw/zinc/73/03/75/552730375.db2.gz	MWNNLZOZTKMKSB-UHFFFAOYSA-N	1	0	363.425	1.508	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cc(F)c(C#N)c(F)c2)CC1	ZINC000597193493	552759241	/nfs/dbraw/zinc/75/92/41/552759241.db2.gz	UFBPVVNTUVSIMO-UHFFFAOYSA-N	1	0	364.396	1.509	20	30		FDEDRO
N#CC1(CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)CCOCC1	ZINC000597410267	552785567	/nfs/dbraw/zinc/78/55/67/552785567.db2.gz	QREQNDWSQKLLGQ-RTBURBONSA-N	1	0	371.481	1.696	20	30		FDEDRO
N#CCC1(CNC(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC1	ZINC000597432257	552788376	/nfs/dbraw/zinc/78/83/76/552788376.db2.gz	DDJWRLKZZBACKT-HNNXBMFYSA-N	1	0	371.489	1.402	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CCN1Cc1ccccc1	ZINC000597439426	552789554	/nfs/dbraw/zinc/78/95/54/552789554.db2.gz	JIMDYTPBACYLKH-MSOLQXFVSA-N	1	0	353.470	1.548	20	30		FDEDRO
C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1	ZINC000597676965	552820615	/nfs/dbraw/zinc/82/06/15/552820615.db2.gz	DVIQAXMNQHOJJQ-VQIMIIECSA-N	1	0	366.465	1.952	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCC[C@@H](N3CCOCC3)C2)cc1	ZINC000597708607	552824931	/nfs/dbraw/zinc/82/49/31/552824931.db2.gz	CSOWBFIFNQKXCO-UXHICEINSA-N	1	0	368.481	1.850	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cnc4n3CCOC4)CC2)c1	ZINC000597820488	552836388	/nfs/dbraw/zinc/83/63/88/552836388.db2.gz	NXGBZWUNNRJEGJ-UHFFFAOYSA-N	1	0	365.437	1.679	20	30		FDEDRO
CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)NCCc1ccc(C#N)cc1	ZINC000597890052	552844491	/nfs/dbraw/zinc/84/44/91/552844491.db2.gz	OGTDHKIRNXHMHM-GOSISDBHSA-N	1	0	367.453	1.714	20	30		FDEDRO
CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1	ZINC000597990491	552853216	/nfs/dbraw/zinc/85/32/16/552853216.db2.gz	XEKWLSGEFDRTPW-IBGZPJMESA-N	1	0	357.502	1.527	20	30		FDEDRO
CCN1CCN(C(=O)CC2CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC2)CC1	ZINC000598588183	552911873	/nfs/dbraw/zinc/91/18/73/552911873.db2.gz	IQWJOOYBPMVMGG-SFHVURJKSA-N	1	0	364.534	1.553	20	30		FDEDRO
CO[C@H](C)c1noc(CN2CCC[N@H+](C[C@@H](O)CC(C)(C)C#N)CC2)n1	ZINC000598593958	552912897	/nfs/dbraw/zinc/91/28/97/552912897.db2.gz	YTTIAWQERXWCGO-CABCVRRESA-N	1	0	365.478	1.585	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000598720635	552928087	/nfs/dbraw/zinc/92/80/87/552928087.db2.gz	QHRGPJPSWFYUOT-OALUTQOASA-N	1	0	372.513	1.774	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCc2c(CC#N)cccc2C1	ZINC000598991848	552954955	/nfs/dbraw/zinc/95/49/55/552954955.db2.gz	PHTAWWXFACGJLX-GOSISDBHSA-N	1	0	356.470	1.931	20	30		FDEDRO
C[N@@H+]1CCCC[C@H](CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000599157320	552976121	/nfs/dbraw/zinc/97/61/21/552976121.db2.gz	SJSMPFHIBRRRIH-SJORKVTESA-N	1	0	357.458	1.848	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(c2nnc3n2CCC3)CC1	ZINC000599279675	553013706	/nfs/dbraw/zinc/01/37/06/553013706.db2.gz	RWFMOKJUHVYTAC-QGZVFWFLSA-N	1	0	367.453	1.715	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)CCOCC1	ZINC000599297829	553019178	/nfs/dbraw/zinc/01/91/78/553019178.db2.gz	PTBVCKYQRVOYGI-SJORKVTESA-N	1	0	369.469	1.980	20	30		FDEDRO
Cc1nsc(N2CCC[N@H+](C[C@@H](O)CC3(C#N)CCOCC3)CC2)n1	ZINC000599305030	553021388	/nfs/dbraw/zinc/02/13/88/553021388.db2.gz	VSWJQOYVBSNIBX-HNNXBMFYSA-N	1	0	365.503	1.430	20	30		FDEDRO
C[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)[C@@H]1CCN(c2ccccc2)C1=O	ZINC000599325131	553027834	/nfs/dbraw/zinc/02/78/34/553027834.db2.gz	ACCRMNDHVGVTKK-ZWKOTPCHSA-N	1	0	357.454	1.795	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)CCOCC1	ZINC000599352920	553035171	/nfs/dbraw/zinc/03/51/71/553035171.db2.gz	SFXMNUZLRVDBHL-JKSUJKDBSA-N	1	0	359.474	1.933	20	30		FDEDRO
C[S@](=O)C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1ccccc1	ZINC000599357119	553035504	/nfs/dbraw/zinc/03/55/04/553035504.db2.gz	QWUCLEQIXYVYTA-KCYKTTMJSA-N	1	0	350.484	1.767	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)CCOCC1	ZINC000599432271	553055694	/nfs/dbraw/zinc/05/56/94/553055694.db2.gz	OBLWRXQHPSZAEL-NLWGTHIKSA-N	1	0	362.445	1.858	20	30		FDEDRO
COCC[N@@H+](Cc1c(C)nn(C)c1C)C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599437902	553056597	/nfs/dbraw/zinc/05/65/97/553056597.db2.gz	SZTZXYOBODLKSZ-KRWDZBQOSA-N	1	0	364.490	1.557	20	30		FDEDRO
COC(=O)[C@H]1CSCC[N@H+](C[C@H](O)COc2ccccc2C#N)C1	ZINC000599437874	553056762	/nfs/dbraw/zinc/05/67/62/553056762.db2.gz	UILFKUQCLFVZIR-CABCVRRESA-N	1	0	350.440	1.136	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CCN1C1CCCC1	ZINC000599464256	553065330	/nfs/dbraw/zinc/06/53/30/553065330.db2.gz	KSVXFBMTCZNPFN-ZDUSSCGKSA-N	1	0	364.427	1.762	20	30		FDEDRO
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCC2([NH3+])CCOCC2)n1	ZINC000599603780	553101271	/nfs/dbraw/zinc/10/12/71/553101271.db2.gz	IJVYFWBPSKEULP-UHFFFAOYSA-N	1	0	374.832	2.027	20	30		FDEDRO
CC(=O)NCC(=O)N1CCC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CC1	ZINC000599620073	553105418	/nfs/dbraw/zinc/10/54/18/553105418.db2.gz	ZQIHULCLIISKTI-UHFFFAOYSA-N	1	0	356.470	1.658	20	30		FDEDRO
CNS(=O)(=O)C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C#N)C1	ZINC000599690852	553122623	/nfs/dbraw/zinc/12/26/23/553122623.db2.gz	ACDRUQRFZOAHRX-AWEZNQCLSA-N	1	0	364.471	1.148	20	30		FDEDRO
N#CC1CCC(CNC(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC1	ZINC000599879322	553165327	/nfs/dbraw/zinc/16/53/27/553165327.db2.gz	GCMBHLMXDJUSRX-UHFFFAOYSA-N	1	0	356.426	1.553	20	30		FDEDRO
CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000599890295	553168430	/nfs/dbraw/zinc/16/84/30/553168430.db2.gz	QZIBZBNOHIVBBA-KRWDZBQOSA-N	1	0	358.442	1.764	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1F	ZINC000599899268	553171057	/nfs/dbraw/zinc/17/10/57/553171057.db2.gz	LAJAMIQEOUSGFA-PWSUYJOCSA-N	1	0	372.322	1.622	20	30		FDEDRO
C[C@@H]1CC[C@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[NH2+]1	ZINC000599919914	553174290	/nfs/dbraw/zinc/17/42/90/553174290.db2.gz	XKBVXRKRNKKYEQ-KMFMINBZSA-N	1	0	355.442	1.493	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c(F)cc1C#N	ZINC000599938885	553178989	/nfs/dbraw/zinc/17/89/89/553178989.db2.gz	JEDOEBJNUILBIH-LLVKDONJSA-N	1	0	360.389	1.245	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)c(F)cc1C#N	ZINC000599962939	553187094	/nfs/dbraw/zinc/18/70/94/553187094.db2.gz	AOBMCNKHFQCIJM-UHFFFAOYSA-N	1	0	362.405	1.633	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)c(F)cc1C#N	ZINC000599983232	553192870	/nfs/dbraw/zinc/19/28/70/553192870.db2.gz	UOMVWHVULCBSCF-GFCCVEGCSA-N	1	0	362.405	1.493	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H]3CCCC[N@@H+](C)C3)CC2)o1	ZINC000600313848	553247891	/nfs/dbraw/zinc/24/78/91/553247891.db2.gz	KOIFVWPMFOQYGK-HNNXBMFYSA-N	1	0	359.474	1.919	20	30		FDEDRO
COc1cc(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)cc(OC)c1OC	ZINC000600713959	553305993	/nfs/dbraw/zinc/30/59/93/553305993.db2.gz	HEOPHMGZUSQRFM-OAHLLOKOSA-N	1	0	364.442	1.873	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1	ZINC000600716761	553306400	/nfs/dbraw/zinc/30/64/00/553306400.db2.gz	LVJCLRLSKZILGE-MRXNPFEDSA-N	1	0	363.483	1.615	20	30		FDEDRO
C[C@@H]1CN(C(C)(C)C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C[C@H](C)O1	ZINC000600718308	553306572	/nfs/dbraw/zinc/30/65/72/553306572.db2.gz	QORULZYXTAMOJD-BBWFWOEESA-N	1	0	353.507	1.535	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]CCCS(=O)(=O)c1ccccc1	ZINC000600719020	553306712	/nfs/dbraw/zinc/30/67/12/553306712.db2.gz	BRTDORWSRSQTLR-QGZVFWFLSA-N	1	0	374.462	1.752	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)CCOCC1	ZINC000600735865	553309172	/nfs/dbraw/zinc/30/91/72/553309172.db2.gz	WDJFEFCKVLJAPY-QZTJIDSGSA-N	1	0	363.502	1.971	20	30		FDEDRO
Cc1cc(N2CCC[C@@H]([NH2+]C[C@H](O)CC3(C#N)CCOCC3)C2)n(C)n1	ZINC000600736528	553309224	/nfs/dbraw/zinc/30/92/24/553309224.db2.gz	ZVVQQYBKDVYCBH-IAGOWNOFSA-N	1	0	361.490	1.358	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)CC1	ZINC000600737525	553309391	/nfs/dbraw/zinc/30/93/91/553309391.db2.gz	VTZUFSJIWINYSY-CYBMUJFWSA-N	1	0	371.890	1.653	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)cc1	ZINC000600746028	553310464	/nfs/dbraw/zinc/31/04/64/553310464.db2.gz	KGGJOEIGHYXCPL-DZGCQCFKSA-N	1	0	354.332	1.888	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H](n2cccn2)C(F)(F)F)cc1	ZINC000600749239	553310890	/nfs/dbraw/zinc/31/08/90/553310890.db2.gz	WGFARMZTUMFRNM-AWEZNQCLSA-N	1	0	372.372	1.922	20	30		FDEDRO
N#CCCn1ncc(C(=O)NCC[N@H+]2CC[C@H](O)C2)c1-c1ccccc1	ZINC000600808125	553316838	/nfs/dbraw/zinc/31/68/38/553316838.db2.gz	IYCNOYUXOJDDGT-INIZCTEOSA-N	1	0	353.426	1.260	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(S(=O)(=O)c3ccccc3CC#N)CC2)c1	ZINC000601337539	553378706	/nfs/dbraw/zinc/37/87/06/553378706.db2.gz	CAKURJHDFZHVBL-UHFFFAOYSA-N	1	0	372.450	1.667	20	30		FDEDRO
N#CCc1ccccc1S(=O)(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1	ZINC000601341675	553379624	/nfs/dbraw/zinc/37/96/24/553379624.db2.gz	IUWUFALBXXULFN-SJORKVTESA-N	1	0	363.483	1.660	20	30		FDEDRO
Cc1cc(F)cc(C#N)c1S(=O)(=O)NCC1(O)CC[NH+](C(C)C)CC1	ZINC000601371146	553387473	/nfs/dbraw/zinc/38/74/73/553387473.db2.gz	HUUICPZTUFBDSY-UHFFFAOYSA-N	1	0	369.462	1.519	20	30		FDEDRO
N#CC1(CS(=O)(=O)N2CCC([N@@H+]3CCCOCC3)CC2)CCCCC1	ZINC000601440576	553406651	/nfs/dbraw/zinc/40/66/51/553406651.db2.gz	TYRODFZMGGENIE-UHFFFAOYSA-N	1	0	369.531	1.977	20	30		FDEDRO
C[NH+](C)C1(CNS(=O)(=O)c2cc(Br)ccc2C#N)CC1	ZINC000601450326	553409260	/nfs/dbraw/zinc/40/92/60/553409260.db2.gz	RRRZWSJCFKTJKZ-UHFFFAOYSA-N	1	0	358.261	1.693	20	30		FDEDRO
Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NCCn3cnc(C#N)n3)C2)cc1	ZINC000601601941	553443442	/nfs/dbraw/zinc/44/34/42/553443442.db2.gz	ICNFTHDFHOSIET-MRXNPFEDSA-N	1	0	353.430	1.032	20	30		FDEDRO
Cc1[nH]c(C#N)cc1C(=O)NCc1ccc(CN2CCS(=O)CC2)cc1	ZINC000601644776	553451602	/nfs/dbraw/zinc/45/16/02/553451602.db2.gz	ILOXXJVNAXOOLA-UHFFFAOYSA-N	1	0	370.478	1.689	20	30		FDEDRO
N#Cc1ncn(CC(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)n1	ZINC000601729148	553463949	/nfs/dbraw/zinc/46/39/49/553463949.db2.gz	URUMHNKHLQRUSI-QGZVFWFLSA-N	1	0	352.442	1.711	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]CCn2ccc(C(F)(F)F)n2)cc1	ZINC000601969897	553497548	/nfs/dbraw/zinc/49/75/48/553497548.db2.gz	GJGQGGCGJQYFOO-CQSZACIVSA-N	1	0	368.359	1.997	20	30		FDEDRO
C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cc(F)cc(C#N)c1	ZINC000602026585	553503317	/nfs/dbraw/zinc/50/33/17/553503317.db2.gz	ZAQIVCMCLUBOJE-GOSISDBHSA-N	1	0	368.412	1.925	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000602051738	553508661	/nfs/dbraw/zinc/50/86/61/553508661.db2.gz	JFZRLTZWWYZQFP-SFHVURJKSA-N	1	0	366.469	1.859	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3C[C@H]([NH+](C)C)C3(C)C)CC2)o1	ZINC000602174288	553533734	/nfs/dbraw/zinc/53/37/34/553533734.db2.gz	SVVQXPIANCDZMR-CVEARBPZSA-N	1	0	359.474	1.916	20	30		FDEDRO
CCC(C#N)(CC)C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1	ZINC000602526428	553598547	/nfs/dbraw/zinc/59/85/47/553598547.db2.gz	DKQJGPQPNXBBBR-HNNXBMFYSA-N	1	0	358.490	1.855	20	30		FDEDRO
COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)Cc2ccc(C#N)nc2)cc1F	ZINC000602529800	553599769	/nfs/dbraw/zinc/59/97/69/553599769.db2.gz	UOUZIPNRVPPOIM-WMZOPIPTSA-N	1	0	368.412	1.905	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1	ZINC000602541568	553602309	/nfs/dbraw/zinc/60/23/09/553602309.db2.gz	QFQMTXPMOUFVSO-QWHCGFSZSA-N	1	0	371.359	1.931	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1	ZINC000602575240	553607398	/nfs/dbraw/zinc/60/73/98/553607398.db2.gz	PPQANTNUMZCCIR-BEFAXECRSA-N	1	0	357.454	1.943	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)NCc1cccc2c1CC[NH2+]C2	ZINC000602585831	553608410	/nfs/dbraw/zinc/60/84/10/553608410.db2.gz	VPGFRNYBMLFJCI-UHFFFAOYSA-N	1	0	351.406	1.908	20	30		FDEDRO
Cc1cc(N2CCC[C@H](N3CC[NH+](C[C@@H](C)CCC#N)CC3)C2=O)n(C)n1	ZINC000602598594	553609938	/nfs/dbraw/zinc/60/99/38/553609938.db2.gz	XIJXVQFXARTVTH-WMZOPIPTSA-N	1	0	372.517	1.781	20	30		FDEDRO
COC(=O)c1[nH]c(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1C	ZINC000602629858	553614491	/nfs/dbraw/zinc/61/44/91/553614491.db2.gz	KAACMMPBYZQLCW-QGZVFWFLSA-N	1	0	366.421	1.872	20	30		FDEDRO
COC(=O)c1cc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[nH]c1C	ZINC000602630955	553615067	/nfs/dbraw/zinc/61/50/67/553615067.db2.gz	NJCQCFKYMUFZNI-GOSISDBHSA-N	1	0	366.421	1.872	20	30		FDEDRO
CCN(CC(F)(F)F)C(=O)CN1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000602835313	553647590	/nfs/dbraw/zinc/64/75/90/553647590.db2.gz	AJXVPYUSBOYUIL-ZDUSSCGKSA-N	1	0	356.348	1.817	20	30		FDEDRO
Cc1cc2ncn(C[C@H](O)C[NH+]3C[C@H](C)N(CC#N)[C@@H](C)C3)c2cc1C	ZINC000602858605	553652631	/nfs/dbraw/zinc/65/26/31/553652631.db2.gz	TXACLVYWSJWLRE-OKZBNKHCSA-N	1	0	355.486	1.932	20	30		FDEDRO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@@](O)(C[NH+](C)C)C1	ZINC000602889882	553661813	/nfs/dbraw/zinc/66/18/13/553661813.db2.gz	FQWDOYZUKXBZLI-CAOKTKFFSA-N	1	0	364.534	1.694	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@](O)(C[NH+](C)C)C1	ZINC000602893350	553663009	/nfs/dbraw/zinc/66/30/09/553663009.db2.gz	UWXGILDFXOJMLN-FXAWDEMLSA-N	1	0	358.486	1.710	20	30		FDEDRO
N#Cc1ccccc1NC1CC[NH+](C[C@H](O)CC2(O)CCOCC2)CC1	ZINC000602897686	553664185	/nfs/dbraw/zinc/66/41/85/553664185.db2.gz	BMWZDJDHRTXSMB-GOSISDBHSA-N	1	0	359.470	1.727	20	30		FDEDRO
Cc1cc(N(CCC#N)C(=O)CN2CCN(C)C[C@H]2CO)ccc1Cl	ZINC000602904149	553665313	/nfs/dbraw/zinc/66/53/13/553665313.db2.gz	MDTJPKGYHOHLRE-INIZCTEOSA-N	1	0	364.877	1.503	20	30		FDEDRO
COC(=O)CCN1CCC[C@H]([NH+]2CCC(c3ccc(C#N)cn3)CC2)C1=O	ZINC000602906644	553665700	/nfs/dbraw/zinc/66/57/00/553665700.db2.gz	LQEXEXZIMZLWBI-SFHVURJKSA-N	1	0	370.453	1.687	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F	ZINC000603145081	553715576	/nfs/dbraw/zinc/71/55/76/553715576.db2.gz	MDGQYLOREWOCEC-GDBMZVCRSA-N	1	0	357.376	1.873	20	30		FDEDRO
C[C@H]([NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F)C(=O)N(C)CCC#N	ZINC000603146854	553716063	/nfs/dbraw/zinc/71/60/63/553716063.db2.gz	URVXRMPHWIMSCK-CFVMTHIKSA-N	1	0	357.376	1.871	20	30		FDEDRO
CN(CCC[NH3+])Cc1cn(Cc2ccc(C#N)cc2OC(F)F)nn1	ZINC000603237795	553739605	/nfs/dbraw/zinc/73/96/05/553739605.db2.gz	WOYUOUXELGONDS-UHFFFAOYSA-N	1	0	350.373	1.580	20	30		FDEDRO
COCC[NH2+]CCc1cn([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)nn1	ZINC000603240168	553740177	/nfs/dbraw/zinc/74/01/77/553740177.db2.gz	YEAGBAQEXBIDTK-GOSISDBHSA-N	1	0	368.441	1.296	20	30		FDEDRO
COC[C@H]([NH3+])Cc1cn(Cc2cc(C#N)ccc2Br)nn1	ZINC000603240873	553740352	/nfs/dbraw/zinc/74/03/52/553740352.db2.gz	GKRBLQHHVLACRE-GFCCVEGCSA-N	1	0	350.220	1.477	20	30		FDEDRO
C[NH+]1CCC2(CCN(S(=O)(=O)c3c(F)cc(C#N)cc3F)C2)CC1	ZINC000603382842	553776091	/nfs/dbraw/zinc/77/60/91/553776091.db2.gz	MNASHGKGZCBNOO-UHFFFAOYSA-N	1	0	355.410	1.943	20	30		FDEDRO
Cc1cccc(S(=O)(=O)NCCCN2CCC[N@@H+](C)CC2)c1C#N	ZINC000603402578	553780254	/nfs/dbraw/zinc/78/02/54/553780254.db2.gz	LNEBJLSNKJXYIK-UHFFFAOYSA-N	1	0	350.488	1.173	20	30		FDEDRO
C[N@@H+]1CCCN(CCCNS(=O)(=O)Cc2cc(C#N)ccc2F)CC1	ZINC000603401686	553780386	/nfs/dbraw/zinc/78/03/86/553780386.db2.gz	FKVQXSSYLMLMQW-UHFFFAOYSA-N	1	0	368.478	1.144	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)NCCCN1CCC[N@@H+](C)CC1	ZINC000603401702	553780481	/nfs/dbraw/zinc/78/04/81/553780481.db2.gz	GGEBNQLCIFBCNF-UHFFFAOYSA-N	1	0	350.488	1.173	20	30		FDEDRO
N#Cc1cccc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)c1[N+](=O)[O-]	ZINC000603423129	553784685	/nfs/dbraw/zinc/78/46/85/553784685.db2.gz	MIJADNRHHGYBIN-INIZCTEOSA-N	1	0	359.430	1.675	20	30		FDEDRO
COCCNC(=O)C1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1	ZINC000603444805	553789389	/nfs/dbraw/zinc/78/93/89/553789389.db2.gz	FKSFVUMYQCNRLV-UHFFFAOYSA-N	1	0	358.442	1.361	20	30		FDEDRO
Cc1nn(C)c2nc(C)c(CCC(=O)NC3(C#N)CC[NH+](C)CC3)c(C)c12	ZINC000603885936	553824254	/nfs/dbraw/zinc/82/42/54/553824254.db2.gz	CXEASDKXOMCBLS-UHFFFAOYSA-N	1	0	368.485	1.930	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(CC(=O)NC2CCCC2)CC1	ZINC000604415940	553875611	/nfs/dbraw/zinc/87/56/11/553875611.db2.gz	NGAILPJHTVFCOT-CQSZACIVSA-N	1	0	364.490	1.548	20	30		FDEDRO
C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)CNc1ccc(C#N)cc1	ZINC000608783687	554319092	/nfs/dbraw/zinc/31/90/92/554319092.db2.gz	WVSPPLIBHZOXAL-UHFFFAOYSA-N	1	0	360.458	1.702	20	30		FDEDRO
C[N@@H+]1CCCN(CCCNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC1	ZINC000609623900	554404093	/nfs/dbraw/zinc/40/40/93/554404093.db2.gz	GIIACKXZOFPARG-FQEVSTJZSA-N	1	0	369.513	1.671	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(C(N)=O)(c2ccccc2)CC1	ZINC000609672881	554410173	/nfs/dbraw/zinc/41/01/73/554410173.db2.gz	VCONAWMCNOWKIK-OXQOHEQNSA-N	1	0	370.497	1.948	20	30		FDEDRO
C[NH+](C)CCNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	ZINC000609811480	554423641	/nfs/dbraw/zinc/42/36/41/554423641.db2.gz	GAPLVNYGNRREPE-UHFFFAOYSA-N	1	0	353.382	1.362	20	30		FDEDRO
C[C@@H](NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)C1CC[NH+](C)CC1	ZINC000610024960	554449415	/nfs/dbraw/zinc/44/94/15/554449415.db2.gz	ADDGIZCKZJRPTF-OAHLLOKOSA-N	1	0	370.501	1.952	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)NC2CCN(CC#N)CC2)Cc2ccccc2C1	ZINC000610350495	554494493	/nfs/dbraw/zinc/49/44/93/554494493.db2.gz	FYPOPGSNDAGBDX-UHFFFAOYSA-N	1	0	355.486	1.373	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]2C(=O)N2CC[NH+](C3CCOCC3)CC2)cc1	ZINC000610471981	554514498	/nfs/dbraw/zinc/51/44/98/554514498.db2.gz	XCAWNIOBDYRHPA-FQEVSTJZSA-N	1	0	368.481	1.850	20	30		FDEDRO
Cn1cc(C[C@H]2CC[N@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)cn1	ZINC000610476574	554515307	/nfs/dbraw/zinc/51/53/07/554515307.db2.gz	ALNHFUWTHMZUJV-MJGOQNOKSA-N	1	0	354.454	1.790	20	30		FDEDRO
COc1ccc(NC(=O)C[C@@H](C)[NH2+]C2CCN(CC#N)CC2)c(OC)c1	ZINC000610812998	554565587	/nfs/dbraw/zinc/56/55/87/554565587.db2.gz	UQZIILVBUCDBNM-CQSZACIVSA-N	1	0	360.458	1.998	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C[C@H](O)COc1ccc(CC#N)cc1	ZINC000610995517	554592195	/nfs/dbraw/zinc/59/21/95/554592195.db2.gz	SEXCHINVRWYLRV-KOUHRCEDSA-N	1	0	373.497	1.676	20	30		FDEDRO
N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCN(CCN2CCOCC2)C1	ZINC000611392685	554630393	/nfs/dbraw/zinc/63/03/93/554630393.db2.gz	CXERRGVNURSMHF-PZJWPPBQSA-N	1	0	354.498	1.932	20	30		FDEDRO
N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCN(CCN2CCOCC2)C1	ZINC000611392684	554630406	/nfs/dbraw/zinc/63/04/06/554630406.db2.gz	CXERRGVNURSMHF-FPOVZHCZSA-N	1	0	354.498	1.932	20	30		FDEDRO
CS(=O)(=O)N1CCN(CC[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1	ZINC000611392083	554630691	/nfs/dbraw/zinc/63/06/91/554630691.db2.gz	KJHFEDKNQNKTHV-SFHVURJKSA-N	1	0	362.499	1.102	20	30		FDEDRO
Cc1c(C(=O)NCC(C)(C)C#N)nnn1-c1cccc2c1CC[N@@H+](C)C2	ZINC000611688196	554666329	/nfs/dbraw/zinc/66/63/29/554666329.db2.gz	NCGWCIIDMDKNAI-UHFFFAOYSA-N	1	0	352.442	1.843	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1	ZINC000611888283	554697298	/nfs/dbraw/zinc/69/72/98/554697298.db2.gz	ZSFZOTBWKOGJFP-NUJGCVRESA-N	1	0	363.502	1.607	20	30		FDEDRO
C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCC[C@@](C)(C#N)C2)cc1	ZINC000612272004	554756521	/nfs/dbraw/zinc/75/65/21/554756521.db2.gz	PVDMCVPXUKZADO-IBGZPJMESA-N	1	0	358.442	1.718	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1	ZINC000612581270	554809741	/nfs/dbraw/zinc/80/97/41/554809741.db2.gz	RAYZSFQOMRYDRB-BZSNNMDCSA-N	1	0	351.491	1.341	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)CC2)n1	ZINC000612834716	554847883	/nfs/dbraw/zinc/84/78/83/554847883.db2.gz	INGMDEFNAWSHJV-UHFFFAOYSA-N	1	0	374.408	1.888	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](CC)C[NH+]1CCCC1	ZINC000615313596	555190367	/nfs/dbraw/zinc/19/03/67/555190367.db2.gz	SFDVABCYCGIDHD-OAHLLOKOSA-N	1	0	358.442	1.886	20	30		FDEDRO
CC(C)[NH+](CCNC(=O)C1CCN(c2cc(C#N)ncn2)CC1)C(C)C	ZINC000617942328	555547047	/nfs/dbraw/zinc/54/70/47/555547047.db2.gz	XWSWLCJVRYIFQP-UHFFFAOYSA-N	1	0	358.490	1.800	20	30		FDEDRO
CN(CCCN1CC[NH+](C)CC1)C(=O)N[C@H]1CCc2cc(C#N)ccc21	ZINC000618854157	555688977	/nfs/dbraw/zinc/68/89/77/555688977.db2.gz	SADBBRCDLDXKEJ-IBGZPJMESA-N	1	0	355.486	1.824	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2cccc(CC#N)c2)CC1	ZINC000619498436	555790140	/nfs/dbraw/zinc/79/01/40/555790140.db2.gz	BABIIWXISJSRNL-HNNXBMFYSA-N	1	0	350.488	1.057	20	30		FDEDRO
CCN1CC[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1=O	ZINC000619803476	555837240	/nfs/dbraw/zinc/83/72/40/555837240.db2.gz	IGCCSMNQHQJZSP-SFHVURJKSA-N	1	0	369.469	1.396	20	30		FDEDRO
C=CCOc1c(Cl)cc(C[NH2+]C[C@@H](O)Cn2ccnn2)cc1OC	ZINC000623547081	556441214	/nfs/dbraw/zinc/44/12/14/556441214.db2.gz	HETHGAPBMKEPHQ-CYBMUJFWSA-N	1	0	352.822	1.656	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cc(S(N)(=O)=O)cc(F)c2C)CC1	ZINC000625320650	556774278	/nfs/dbraw/zinc/77/42/78/556774278.db2.gz	DBFYUXGGHUZYGG-UHFFFAOYSA-N	1	0	355.435	1.162	20	30		FDEDRO
CN(CC#CCN1C(=O)c2ccccc2C1=O)CC[N@@H+]1CCOC(C)(C)C1	ZINC000625380430	556788802	/nfs/dbraw/zinc/78/88/02/556788802.db2.gz	SQVMZQBLZPASNW-UHFFFAOYSA-N	1	0	369.465	1.329	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1	ZINC000625561693	556854120	/nfs/dbraw/zinc/85/41/20/556854120.db2.gz	DFNXYKGXISVSHP-IRXDYDNUSA-N	1	0	364.534	1.189	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C1	ZINC000629806223	557839588	/nfs/dbraw/zinc/83/95/88/557839588.db2.gz	SNKGUTCAAQTDPI-MGPQQGTHSA-N	1	0	361.408	1.787	20	30		FDEDRO
C=CCn1cc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)nn1	ZINC000633319247	558288038	/nfs/dbraw/zinc/28/80/38/558288038.db2.gz	UGJFPIQGRRNZTB-KRWDZBQOSA-N	1	0	354.458	1.846	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)NCC(=O)N1CC[NH2+]CC1	ZINC000634240061	558436309	/nfs/dbraw/zinc/43/63/09/558436309.db2.gz	ASUVBTQIYZRQNJ-UHFFFAOYSA-N	1	0	356.879	1.531	20	30		FDEDRO
C=C(C)Cn1c(COCCOC)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C	ZINC000634383434	558457357	/nfs/dbraw/zinc/45/73/57/558457357.db2.gz	ADUIDRRGVMKXDX-JKSUJKDBSA-N	1	0	351.495	1.936	20	30		FDEDRO
C=C(CNC(=O)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)c1ccccc1	ZINC000635165056	558601706	/nfs/dbraw/zinc/60/17/06/558601706.db2.gz	NUDPEXMKMLQHHF-UHFFFAOYSA-N	1	0	367.453	1.918	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NCC2=CC[N@H+](C)CC2)ccc1F	ZINC000271924118	674396428	/nfs/dbraw/zinc/39/64/28/674396428.db2.gz	KYIFQCPZXNPEHI-UHFFFAOYSA-N	1	0	367.446	1.282	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000636740445	567998954	/nfs/dbraw/zinc/99/89/54/567998954.db2.gz	HTXHZDZOEPNEHB-OAHLLOKOSA-N	1	0	351.491	1.322	20	30		FDEDRO
C#CCC[NH+]1CCN(Cc2csc(N(CCOC)C(C)=O)n2)CC1	ZINC000272028006	674407018	/nfs/dbraw/zinc/40/70/18/674407018.db2.gz	OLNHDRZKNYOAKU-UHFFFAOYSA-N	1	0	350.488	1.283	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[nH]n2)CC1	ZINC000735398642	598361762	/nfs/dbraw/zinc/36/17/62/598361762.db2.gz	MTELTDQFJYHYQB-CQSZACIVSA-N	1	0	370.457	1.791	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)CC1	ZINC000735425342	598391751	/nfs/dbraw/zinc/39/17/51/598391751.db2.gz	ABNVCBMTEQAEOI-UHFFFAOYSA-N	1	0	359.409	1.455	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H](NC(=O)C1CC1)[C@H](C)O)C(C)C	ZINC000272518321	674453317	/nfs/dbraw/zinc/45/33/17/674453317.db2.gz	VOIZSCITKXPWPP-USXIJHARSA-N	1	0	351.491	1.077	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H](O)[C@@H](O)c2nc3ccccc3s2)CC1	ZINC000272519840	674453626	/nfs/dbraw/zinc/45/36/26/674453626.db2.gz	VREGYQPKSUQYJZ-HZPDHXFCSA-N	1	0	361.467	1.457	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CCCN(c3cccc(-c4nn[nH]n4)n3)CC2)cc1	ZINC000737711368	599400841	/nfs/dbraw/zinc/40/08/41/599400841.db2.gz	IVSOXFLRMSXFOF-UHFFFAOYSA-N	1	0	360.425	1.846	20	30		FDEDRO
N#CCOc1ccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1	ZINC000737698305	599488802	/nfs/dbraw/zinc/48/88/02/599488802.db2.gz	WIKZHORHEVUKDQ-UHFFFAOYSA-N	1	0	360.381	1.707	20	30		FDEDRO
N#CCC[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1	ZINC000826381537	607708493	/nfs/dbraw/zinc/70/84/93/607708493.db2.gz	PLAWEEMLQKWRFZ-CZUORRHYSA-N	1	0	363.429	1.740	20	30		FDEDRO
C[N@@H+](CC#Cc1ccc(F)cc1)CCCc1[nH]nc(N)c1-c1nn[nH]n1	ZINC000825888878	608036766	/nfs/dbraw/zinc/03/67/66/608036766.db2.gz	XZNQTQXVZMYEEH-UHFFFAOYSA-N	1	0	354.393	1.227	20	30		FDEDRO
C#CC[C@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccccc1	ZINC000823838620	608518811	/nfs/dbraw/zinc/51/88/11/608518811.db2.gz	SAOTYSISDCOAHT-HKUYNNGSSA-N	1	0	363.421	1.961	20	30		FDEDRO
C#CC[C@H]([NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1ccccc1	ZINC000823838659	608518961	/nfs/dbraw/zinc/51/89/61/608518961.db2.gz	SLHAVLGKYYMBEY-SFHVURJKSA-N	1	0	360.421	1.837	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)c1	ZINC000274467721	674592035	/nfs/dbraw/zinc/59/20/35/674592035.db2.gz	KXWVJGHTRYZSAH-INIZCTEOSA-N	1	0	365.499	1.754	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)c2ncc(C)s2)CC1	ZINC000286500302	675896602	/nfs/dbraw/zinc/89/66/02/675896602.db2.gz	KIARDFHLSZWNFX-LBPRGKRZSA-N	1	0	350.488	1.438	20	30		FDEDRO
Cc1cc(S(=O)(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)ccc1C#N	ZINC000278083580	675090716	/nfs/dbraw/zinc/09/07/16/675090716.db2.gz	VAOZEXXIWXADAV-SFHVURJKSA-N	1	0	364.515	1.417	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)NCc1ccccc1)N1CCC[C@H](C)C1	ZINC000072877350	671396964	/nfs/dbraw/zinc/39/69/64/671396964.db2.gz	XHVFOGXOQQBGSN-HNNXBMFYSA-N	1	0	352.504	1.413	20	30		FDEDRO
C[NH+]=C(NCC1(SC)CCOCC1)N1CC[C@H](CN2CCOCC2)C1	ZINC000086766500	671484447	/nfs/dbraw/zinc/48/44/47/671484447.db2.gz	KHCMBEDBUWBWMM-MRXNPFEDSA-N	1	0	370.563	1.128	20	30		FDEDRO
[NH2+]=C(NCCNC(=O)c1cccc(Br)c1)N1CCSCC1	ZINC000104190907	671594985	/nfs/dbraw/zinc/59/49/85/671594985.db2.gz	UWIWHIDUHXDPFV-UHFFFAOYSA-N	1	0	371.304	1.542	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)ccc1F	ZINC000114400554	671649348	/nfs/dbraw/zinc/64/93/48/671649348.db2.gz	FWIFOLGQTDYSJC-ZDUSSCGKSA-N	1	0	369.462	1.314	20	30		FDEDRO
C#CCOc1ccccc1C[NH2+]CCNS(=O)(=O)c1cccs1	ZINC000122241544	671714743	/nfs/dbraw/zinc/71/47/43/671714743.db2.gz	YXDQSXBBZMFIHD-UHFFFAOYSA-N	1	0	350.465	1.828	20	30		FDEDRO
CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2cccc(F)c2C#N)CC1	ZINC000122258355	671714787	/nfs/dbraw/zinc/71/47/87/671714787.db2.gz	DCVYOCLJMNKKLO-AWEZNQCLSA-N	1	0	368.478	1.249	20	30		FDEDRO
CO[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)c1ccccc1Cl	ZINC000123622364	671728188	/nfs/dbraw/zinc/72/81/88/671728188.db2.gz	FPHVREBHLGGTIN-INIZCTEOSA-N	1	0	354.882	1.654	20	30		FDEDRO
CC[C@H]1CN(C(NCCS(=O)(=O)c2ccccc2)=[NH+]C)CCS1	ZINC000124213931	671734749	/nfs/dbraw/zinc/73/47/49/671734749.db2.gz	NPYWJVYDNZYQBV-AWEZNQCLSA-N	1	0	355.529	1.863	20	30		FDEDRO
[NH2+]=C(NCCNS(=O)(=O)c1cccc(Cl)c1)N1CCCCCC1	ZINC000125931507	671753425	/nfs/dbraw/zinc/75/34/25/671753425.db2.gz	JFXZRNYQHHQXQR-UHFFFAOYSA-N	1	0	358.895	1.809	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCC3(O)CCCCC3)=[NH+]C[C@H]2C1	ZINC000133908455	671824353	/nfs/dbraw/zinc/82/43/53/671824353.db2.gz	WMKZIISYQIXYLO-AWEZNQCLSA-N	1	0	352.479	1.562	20	30		FDEDRO
CO[C@H](CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12)C(C)(C)C	ZINC000133965753	671824892	/nfs/dbraw/zinc/82/48/92/671824892.db2.gz	VJQMUXUFAMGYFW-UONOGXRCSA-N	1	0	354.495	1.928	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000161063518	672007047	/nfs/dbraw/zinc/00/70/47/672007047.db2.gz	SMKFAZSQVAQCIQ-UHFFFAOYSA-N	1	0	350.394	1.515	20	30		FDEDRO
CN(C)C(=[NH2+])NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1	ZINC000170906574	672047911	/nfs/dbraw/zinc/04/79/11/672047911.db2.gz	WHXMEOGAUHUZQN-UHFFFAOYSA-N	1	0	364.446	1.681	20	30		FDEDRO
C=C(Br)CNC(=O)NCc1cccnc1N1CC[NH+](C)CC1	ZINC000171195840	672052183	/nfs/dbraw/zinc/05/21/83/672052183.db2.gz	FVJVZVAQRVZKMV-UHFFFAOYSA-N	1	0	368.279	1.541	20	30		FDEDRO
C[C@H](NC(=[NH+]CC(=O)N(C)C)N1CC[C@]2(CCOC2)C1)c1cccs1	ZINC000185535238	672260790	/nfs/dbraw/zinc/26/07/90/672260790.db2.gz	GCZPPZIIQNSJMW-KSSFIOAISA-N	1	0	364.515	1.955	20	30		FDEDRO
CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@H]1CCN(c2ccc(Cl)cc2)C1	ZINC000185552335	672261236	/nfs/dbraw/zinc/26/12/36/672261236.db2.gz	PNXLQWDOROVKGH-HNNXBMFYSA-N	1	0	365.909	1.951	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N(C)C2CCC([NH3+])CC2)ccc1F	ZINC000237236193	672421687	/nfs/dbraw/zinc/42/16/87/672421687.db2.gz	BQXZZGUTHNPPRH-UHFFFAOYSA-N	1	0	369.462	1.632	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])ccc1F	ZINC000237923770	672430724	/nfs/dbraw/zinc/43/07/24/672430724.db2.gz	IXAHNOSPOCCKCW-DZGCQCFKSA-N	1	0	369.462	1.537	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1COCCO1)N1CCN(c2cc(F)ccc2F)CC1	ZINC000261656454	672644449	/nfs/dbraw/zinc/64/44/49/672644449.db2.gz	FOKQFCZUAHAFCR-CQSZACIVSA-N	1	0	354.401	1.078	20	30		FDEDRO
C[NH+]=C(NCc1noc(C)n1)N1CCN(c2cc(F)ccc2F)CC1	ZINC000261656565	672644484	/nfs/dbraw/zinc/64/44/84/672644484.db2.gz	FPUDQWHBMHQBNV-UHFFFAOYSA-N	1	0	350.373	1.554	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])cc1	ZINC000261678181	672648984	/nfs/dbraw/zinc/64/89/84/672648984.db2.gz	DCUIGJCLIAAWTN-DZGCQCFKSA-N	1	0	351.472	1.350	20	30		FDEDRO
C[NH+]=C(NCC(=O)Nc1ccc(F)c(F)c1F)N(C)C[C@H]1CCOC1	ZINC000261680503	672649580	/nfs/dbraw/zinc/64/95/80/672649580.db2.gz	QLOKAXIUXUHDJG-SNVBAGLBSA-N	1	0	358.364	1.586	20	30		FDEDRO
CC[NH+]=C(NCc1cccs1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1	ZINC000261679937	672649668	/nfs/dbraw/zinc/64/96/68/672649668.db2.gz	DAKLESONROUJKM-KRWDZBQOSA-N	1	0	363.487	1.524	20	30		FDEDRO
C[NH+]=C(NCc1ccc(NS(C)(=O)=O)cc1)N(C)C[C@@H]1CCOC1	ZINC000261701640	672654342	/nfs/dbraw/zinc/65/43/42/672654342.db2.gz	UBISJQDWIDFGTC-AWEZNQCLSA-N	1	0	354.476	1.102	20	30		FDEDRO
CCc1nsc(N2CCN(C(NC[C@@H]3CCCCO3)=[NH+]C)CC2)n1	ZINC000261719505	672657974	/nfs/dbraw/zinc/65/79/74/672657974.db2.gz	IEUVDKBTKPYTCG-ZDUSSCGKSA-N	1	0	352.508	1.367	20	30		FDEDRO
CC[S@](=O)[C@@H]1CCC[C@@H](NC(NCc2c(C)nn(C)c2C)=[NH+]C)C1	ZINC000261738506	672662026	/nfs/dbraw/zinc/66/20/26/672662026.db2.gz	MGFGRDGYHLVNGQ-FENDNCTDSA-N	1	0	353.536	1.782	20	30		FDEDRO
C[NH+]=C(NCCc1nc(C)no1)N(C)Cc1cc(Br)cn1C	ZINC000261744611	672663397	/nfs/dbraw/zinc/66/33/97/672663397.db2.gz	LDBBLXOPXWYYMF-UHFFFAOYSA-N	1	0	369.267	1.729	20	30		FDEDRO
C[NH+]=C(NCc1cnc(N(C)C)n1C)N1CCC(OC(C)(C)C)CC1	ZINC000261746741	672663899	/nfs/dbraw/zinc/66/38/99/672663899.db2.gz	LKRMRDAWBPDXLS-UHFFFAOYSA-N	1	0	350.511	1.841	20	30		FDEDRO
C[NH+]=C(NCc1nc(C)no1)N[C@@H]1CCN(c2c(F)cccc2F)C1	ZINC000261786492	672672349	/nfs/dbraw/zinc/67/23/49/672672349.db2.gz	PUBXIVORDOQTDY-LLVKDONJSA-N	1	0	350.373	1.600	20	30		FDEDRO
CCS(=O)(=O)NCCNC(=[NH+]C)N1CCSC2(CCCCC2)C1	ZINC000261790611	672672902	/nfs/dbraw/zinc/67/29/02/672672902.db2.gz	QHLMDOAAVPTWFB-UHFFFAOYSA-N	1	0	362.565	1.253	20	30		FDEDRO
CCO[C@@H]1C[C@@H](NC(=[NH+]C)N2CCC(CC(=O)NC)CC2)C12CCC2	ZINC000261824526	672678962	/nfs/dbraw/zinc/67/89/62/672678962.db2.gz	UVXSUHGHENKNGI-HZPDHXFCSA-N	1	0	350.507	1.758	20	30		FDEDRO
C[NH+]=C(NCc1nccn1C(F)F)N1CCN([C@H](C)C(F)(F)F)CC1	ZINC000261871170	672686316	/nfs/dbraw/zinc/68/63/16/672686316.db2.gz	OBMQDNAARHTDLO-SNVBAGLBSA-N	1	0	368.354	1.922	20	30		FDEDRO
CCN(CC)C(=O)CN(C)C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)=[NH+]C	ZINC000261872223	672686430	/nfs/dbraw/zinc/68/64/30/672686430.db2.gz	ZVYGKBQGMPXAGY-USXIJHARSA-N	1	0	350.507	1.710	20	30		FDEDRO
C[NH+]=C(NC[C@H](C)Oc1ccc(C)cc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261935930	672697387	/nfs/dbraw/zinc/69/73/87/672697387.db2.gz	CLHASNYCXUVJFO-HNNXBMFYSA-N	1	0	367.515	1.847	20	30		FDEDRO
C[NH+]=C(NCC1(CCOC)CCCC1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261942647	672698720	/nfs/dbraw/zinc/69/87/20/672698720.db2.gz	DUTZPZGJJQSRNU-UHFFFAOYSA-N	1	0	359.536	1.668	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)N1CCC(CC)(CC)C1	ZINC000261947082	672699708	/nfs/dbraw/zinc/69/97/08/672699708.db2.gz	GHERWGATUMJHTK-HNNXBMFYSA-N	1	0	358.552	1.746	20	30		FDEDRO
C[NH+]=C(NCc1cccc(NS(C)(=O)=O)c1)N1CC[C@@]2(CCOC2)C1	ZINC000261999528	672709387	/nfs/dbraw/zinc/70/93/87/672709387.db2.gz	TZMSQNSDBAZMGA-QGZVFWFLSA-N	1	0	366.487	1.246	20	30		FDEDRO
[NH2+]=C(NCCOc1cccc(Cl)c1)N1CCN(c2ncccn2)CC1	ZINC000262009625	672711511	/nfs/dbraw/zinc/71/15/11/672711511.db2.gz	SXHICAXTPFBTAT-UHFFFAOYSA-N	1	0	360.849	1.646	20	30		FDEDRO
C[NH+]=C(NCCN1CCCS1(=O)=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1	ZINC000262262770	672757605	/nfs/dbraw/zinc/75/76/05/672757605.db2.gz	RMDBPHKMTQDAEA-HRCADAONSA-N	1	0	356.536	1.546	20	30		FDEDRO
[NH2+]=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)N1CCSCC1	ZINC000262275358	672759997	/nfs/dbraw/zinc/75/99/97/672759997.db2.gz	KYWLRDCLLRUEPW-INIZCTEOSA-N	1	0	352.479	1.563	20	30		FDEDRO
Cc1nc(CNC(NCC(=O)N(C)C)=[NH+]C2CCOCC2)sc1C	ZINC000262327878	672770766	/nfs/dbraw/zinc/77/07/66/672770766.db2.gz	UJFADVFUKGJXFU-UHFFFAOYSA-N	1	0	353.492	1.062	20	30		FDEDRO
O=S1(=O)CC[C@@H](CNC(NCc2ccc(F)c(F)c2)=[NH+]C2CC2)C1	ZINC000262329028	672770941	/nfs/dbraw/zinc/77/09/41/672770941.db2.gz	ANDHGPJVAYVZRD-LBPRGKRZSA-N	1	0	357.426	1.597	20	30		FDEDRO
C[C@@H]1CCN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C[C@@H]2CCCO2)C[C@H]1C	ZINC000262334395	672772201	/nfs/dbraw/zinc/77/22/01/672772201.db2.gz	BOGJISLTVKZHBP-NCOADZHNSA-N	1	0	371.547	1.524	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N1CCN(C(=O)C(C)C)CC1	ZINC000262337896	672772920	/nfs/dbraw/zinc/77/29/20/672772920.db2.gz	CDLCAWXBHWZYGM-ARFHVFGLSA-N	1	0	350.507	1.566	20	30		FDEDRO
C=CC[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CCOC2(CCSCC2)C1	ZINC000262345445	672774169	/nfs/dbraw/zinc/77/41/69/672774169.db2.gz	XTFHMVWPWSDNPZ-CQSZACIVSA-N	1	0	354.520	1.241	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCc2ccc(F)cc2C1	ZINC000262365838	672777404	/nfs/dbraw/zinc/77/74/04/672777404.db2.gz	HSWOAFNZABWJIS-CQSZACIVSA-N	1	0	367.490	1.973	20	30		FDEDRO
C=CCNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CCc2ccc(F)cc2C1	ZINC000262372934	672778508	/nfs/dbraw/zinc/77/85/08/672778508.db2.gz	IYHMQIDDMXUVTD-AWEZNQCLSA-N	1	0	365.474	1.750	20	30		FDEDRO
CC[NH+]=C(NC[C@]1(O)CCSC1)N1CCN(c2ccccc2F)CC1	ZINC000262409669	672784818	/nfs/dbraw/zinc/78/48/18/672784818.db2.gz	PAXRXHYWHPJPBI-GOSISDBHSA-N	1	0	366.506	1.781	20	30		FDEDRO
C#CCNC(N[C@H]1CCc2ccccc2C1)=[NH+]C[C@@H]1CCS(=O)(=O)C1	ZINC000262429780	672788188	/nfs/dbraw/zinc/78/81/88/672788188.db2.gz	SGFRTWIENMTLBW-YJBOKZPZSA-N	1	0	359.495	1.147	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCCO[C@@H]1C(C)(C)C)N1CCN(C2CC2)C(=O)C1	ZINC000262662454	672827369	/nfs/dbraw/zinc/82/73/69/672827369.db2.gz	MBHKWOADOAALRO-YOEHRIQHSA-N	1	0	350.507	1.710	20	30		FDEDRO
C[NH+]=C(NCCc1ccncc1)N1CCS(=O)(=O)C2(CCCCC2)C1	ZINC000262747649	672840937	/nfs/dbraw/zinc/84/09/37/672840937.db2.gz	ATFHRXFGPLARNA-UHFFFAOYSA-N	1	0	364.515	1.633	20	30		FDEDRO
CC[NH+]=C(NC[C@@]1(N(C)C)CCSC1)N1CCC2(C1)CCOCC2	ZINC000262818387	672851202	/nfs/dbraw/zinc/85/12/02/672851202.db2.gz	WELCXFJBGHTEQL-SFHVURJKSA-N	1	0	354.564	1.892	20	30		FDEDRO
CC1(C)CN(C2(CNC(=[NH2+])NC[C@@H]3CCCO3)CCCCC2)CCO1	ZINC000263154286	672864275	/nfs/dbraw/zinc/86/42/75/672864275.db2.gz	MOKHXRSHJYGKRJ-INIZCTEOSA-N	1	0	352.523	1.883	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)N(C)OC)cc2)CC1	ZINC000264447755	672913313	/nfs/dbraw/zinc/91/33/13/672913313.db2.gz	BYXJDJZPIIHERY-UHFFFAOYSA-N	1	0	367.471	1.249	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N(C)CCn2cc(Br)cn2)CC1	ZINC000288988232	676080639	/nfs/dbraw/zinc/08/06/39/676080639.db2.gz	YEJKZDVCEYHVAV-UHFFFAOYSA-N	1	0	370.295	1.937	20	30		FDEDRO
C[NH+](C)CC(=O)N1CCN(c2c(C#N)cnc3ccc(Cl)cc32)CC1	ZINC000266079756	673050585	/nfs/dbraw/zinc/05/05/85/673050585.db2.gz	KRAUCKITPAYBRT-UHFFFAOYSA-N	1	0	357.845	1.970	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2)C[C@@H]1[NH+]1CCCC1	ZINC000289102472	676093871	/nfs/dbraw/zinc/09/38/71/676093871.db2.gz	HKCYJNYVXOBQJG-IRXDYDNUSA-N	1	0	365.524	1.900	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC2(C[NH+](C)C)CCC2)cc1	ZINC000281810926	675562965	/nfs/dbraw/zinc/56/29/65/675562965.db2.gz	URNHEQWOPZRZQI-UHFFFAOYSA-N	1	0	351.472	1.365	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCC(CO)CC1)C(C)C	ZINC000283216178	675651711	/nfs/dbraw/zinc/65/17/11/675651711.db2.gz	ODAAPWKZWMDNOZ-KRWDZBQOSA-N	1	0	351.491	1.032	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCOC1)C(C)C	ZINC000284012469	675667917	/nfs/dbraw/zinc/66/79/17/675667917.db2.gz	KQPHHLPZRKNHEL-DLBZAZTESA-N	1	0	351.491	1.296	20	30		FDEDRO
CS(=O)(=O)NCC1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000285414785	675824664	/nfs/dbraw/zinc/82/46/64/675824664.db2.gz	JHSCJQXCWKJNRE-UHFFFAOYSA-N	1	0	364.471	1.148	20	30		FDEDRO
CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000292047647	676280896	/nfs/dbraw/zinc/28/08/96/676280896.db2.gz	AYEHLSYAOLKDRG-JKSUJKDBSA-N	1	0	364.471	1.078	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc2c(cc1Cl)OCCO2	ZINC000293400479	676349774	/nfs/dbraw/zinc/34/97/74/676349774.db2.gz	OIRSFIKGSDNBSK-UHFFFAOYSA-N	1	0	365.817	1.121	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Cc1csc(NC(=O)C(C)(C)C)n1	ZINC000294103051	676375464	/nfs/dbraw/zinc/37/54/64/676375464.db2.gz	YJVBMMMYGYBPNE-UHFFFAOYSA-N	1	0	350.488	1.742	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCN(c2snc(C)c2C#N)CC1	ZINC000297016432	676422682	/nfs/dbraw/zinc/42/26/82/676422682.db2.gz	UYTVCWJOCDOXKS-UHFFFAOYSA-N	1	0	360.487	1.110	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCOC[C@@H]1C[C@H](O)c1cccs1	ZINC000297501067	676426577	/nfs/dbraw/zinc/42/65/77/676426577.db2.gz	OGCCTHBDLPPURJ-HOTGVXAUSA-N	1	0	365.499	1.537	20	30		FDEDRO
C[C@@H](O)C[N@@H+]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)C1	ZINC000299374401	676531569	/nfs/dbraw/zinc/53/15/69/676531569.db2.gz	QJKXTXWJNXOFOT-ZIAGYGMSSA-N	1	0	364.877	1.927	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[N@@H+](CC)CC2)c1	ZINC000299662234	676538608	/nfs/dbraw/zinc/53/86/08/676538608.db2.gz	WDATUXPZACNTNV-UHFFFAOYSA-N	1	0	351.472	1.319	20	30		FDEDRO
C[NH+]=C(NCCCOc1ccc(Cl)cc1C)NCCN1CCOCC1	ZINC000303871636	676543234	/nfs/dbraw/zinc/54/32/34/676543234.db2.gz	FZEFKEIZZQPGOI-UHFFFAOYSA-N	1	0	368.909	1.915	20	30		FDEDRO
CC(C)NS(=O)(=O)Cc1ccc(CNC(=[NH2+])N2CCCCC2)cc1	ZINC000303873155	676543329	/nfs/dbraw/zinc/54/33/29/676543329.db2.gz	GQCQCYBJIIYQHR-UHFFFAOYSA-N	1	0	352.504	1.815	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NCCCc1nnc(SC)n1C1CCCC1	ZINC000303905093	676543669	/nfs/dbraw/zinc/54/36/69/676543669.db2.gz	VIWCDXKRUXBTII-GFCCVEGCSA-N	1	0	354.524	1.987	20	30		FDEDRO
CCCCNC(=[NH2+])NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000303987326	676543986	/nfs/dbraw/zinc/54/39/86/676543986.db2.gz	VIRVUYDDYFAPAR-UHFFFAOYSA-N	1	0	351.882	1.693	20	30		FDEDRO
[NH2+]=C(NCCNC(=O)c1cccc(Br)c1)N1CCCCC1	ZINC000303990889	676544107	/nfs/dbraw/zinc/54/41/07/676544107.db2.gz	YZUFWCXVTNTFTA-UHFFFAOYSA-N	1	0	353.264	1.980	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCC[S@@](=O)C(C)(C)C)CC1	ZINC000304752202	676544455	/nfs/dbraw/zinc/54/44/55/676544455.db2.gz	JZUQMQXYAJUVOG-XMMPIXPASA-N	1	0	360.524	1.401	20	30		FDEDRO
CCO[C@@H]1C[C@@H](NC(=[NH2+])NCCCN2CCOCC2)C12CCCCC2	ZINC000304781484	676544502	/nfs/dbraw/zinc/54/45/02/676544502.db2.gz	GIQDNOFJRXULFT-IAGOWNOFSA-N	1	0	352.523	1.741	20	30		FDEDRO
CC(C)C[C@@H](CCO)CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000304777459	676544563	/nfs/dbraw/zinc/54/45/63/676544563.db2.gz	DNCNCJKSVOOMMH-OAHLLOKOSA-N	1	0	356.511	1.899	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000328611483	676599825	/nfs/dbraw/zinc/59/98/25/676599825.db2.gz	ONTVGGHIAUJKNF-KSZLIROESA-N	1	0	351.491	1.926	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000328642507	676600469	/nfs/dbraw/zinc/60/04/69/676600469.db2.gz	FYYCTCOUVDZCOX-XHSDSOJGSA-N	1	0	352.479	1.700	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)CC1(C)C	ZINC000328718277	676603886	/nfs/dbraw/zinc/60/38/86/676603886.db2.gz	PTHGEKONRYKDGY-INIZCTEOSA-N	1	0	350.507	1.618	20	30		FDEDRO
C[C@H](NC(=O)N1CC[C@H](S(C)(=O)=O)C1)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000328726328	676604270	/nfs/dbraw/zinc/60/42/70/676604270.db2.gz	UNWQLFWKMBYRIB-DZKIICNBSA-N	1	0	357.520	1.672	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2csc(-c3nc[nH]n3)n2)C1	ZINC000328759709	676605841	/nfs/dbraw/zinc/60/58/41/676605841.db2.gz	WPUITXILAYBKDS-NSHDSACASA-N	1	0	350.448	1.590	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CCCC12CCOCC2	ZINC000328767180	676605905	/nfs/dbraw/zinc/60/59/05/676605905.db2.gz	FOROLJPKMICBOQ-IAGOWNOFSA-N	1	0	352.523	1.865	20	30		FDEDRO
C[NH+]1CCN(c2ccc(NC(=O)C[C@@H]3CCS(=O)(=O)C3)cn2)CC1	ZINC000328822596	676608706	/nfs/dbraw/zinc/60/87/06/676608706.db2.gz	GHEDTUSOEYDEHM-ZDUSSCGKSA-N	1	0	352.460	1.246	20	30		FDEDRO
C[C@H](CNC(=O)N1CCOC[C@@H]1c1ncnn1C)[NH+]1CCC(C)CC1	ZINC000328878852	676610458	/nfs/dbraw/zinc/61/04/58/676610458.db2.gz	LEZHZUUJCDYVCO-HUUCEWRRSA-N	1	0	350.467	1.223	20	30		FDEDRO
Cc1noc([C@H]2CN(C(=O)NC3CC[NH+](C(C)C)CC3)CCN2C)n1	ZINC000328964000	676613951	/nfs/dbraw/zinc/61/39/51/676613951.db2.gz	LRPVOSBHDWTJDC-OAHLLOKOSA-N	1	0	350.467	1.453	20	30		FDEDRO
CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)[N@H+](C)C1	ZINC000329048194	676617505	/nfs/dbraw/zinc/61/75/05/676617505.db2.gz	KBXUXXKZPOFOIV-SMLCLMEVSA-N	1	0	351.491	1.899	20	30		FDEDRO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)C1	ZINC000329099239	676619876	/nfs/dbraw/zinc/61/98/76/676619876.db2.gz	ZBPLLSCCEQVLOS-RDHIYWLCSA-N	1	0	353.507	1.881	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1	ZINC000329224587	676626544	/nfs/dbraw/zinc/62/65/44/676626544.db2.gz	ZYNDAEOFKUVYCH-INMHGKMJSA-N	1	0	373.519	1.101	20	30		FDEDRO
C[C@@H](NC(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)C1=CC[N@H+](C)CC1	ZINC000329245349	676628213	/nfs/dbraw/zinc/62/82/13/676628213.db2.gz	VDGWMNLPOKLVHU-UKRRQHHQSA-N	1	0	370.519	1.097	20	30		FDEDRO
CC1CC[NH+](C[C@H](O)CNC(=O)[C@H]2CC23CCS(=O)(=O)CC3)CC1	ZINC000329275344	676630135	/nfs/dbraw/zinc/63/01/35/676630135.db2.gz	JTYGDQXVJUHTRN-HUUCEWRRSA-N	1	0	358.504	1.251	20	30		FDEDRO
CNC(=O)CN1CCC(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1	ZINC000329324511	676633221	/nfs/dbraw/zinc/63/32/21/676633221.db2.gz	SLKZGABYBLSUFV-INIZCTEOSA-N	1	0	351.495	1.511	20	30		FDEDRO
CCC[NH+]1CCC(CNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)CC1	ZINC000329378102	676636072	/nfs/dbraw/zinc/63/60/72/676636072.db2.gz	MJUKJOLVGAUAQO-KSZLIROESA-N	1	0	353.507	1.884	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[C@H]1CCCCO1	ZINC000329425238	676638003	/nfs/dbraw/zinc/63/80/03/676638003.db2.gz	GRKDGQWACUMBKO-HRCADAONSA-N	1	0	352.479	1.096	20	30		FDEDRO
Cc1nnc([C@H](C)NC(=O)N2CC[NH+](CC3CCOCC3)CC2)s1	ZINC000329564343	676644307	/nfs/dbraw/zinc/64/43/07/676644307.db2.gz	KAVUTCUUFRWLCA-LBPRGKRZSA-N	1	0	353.492	1.866	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNC(=O)[C@H]2COCCN2C2CCCC2)CC1	ZINC000329584923	676645201	/nfs/dbraw/zinc/64/52/01/676645201.db2.gz	XXSUEBVJCBMTDX-QGZVFWFLSA-N	1	0	353.507	1.822	20	30		FDEDRO
C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1CCCCS1(=O)=O	ZINC000329618720	676646249	/nfs/dbraw/zinc/64/62/49/676646249.db2.gz	DZOYLCPUMRDOIG-XUWVNRHRSA-N	1	0	359.536	1.824	20	30		FDEDRO
C[C@H](NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)N1CCCC1	ZINC000329709650	676650900	/nfs/dbraw/zinc/65/09/00/676650900.db2.gz	NFBIEDNFNQEENF-HNNXBMFYSA-N	1	0	352.479	1.146	20	30		FDEDRO
O=C(NC[C@H]1CCCS(=O)(=O)C1)N1CCCC[C@H]([NH+]2CCCC2)C1	ZINC000329716764	676651328	/nfs/dbraw/zinc/65/13/28/676651328.db2.gz	WVGFSVCFTZYLRQ-CVEARBPZSA-N	1	0	357.520	1.676	20	30		FDEDRO
CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1	ZINC000329752606	676652917	/nfs/dbraw/zinc/65/29/17/676652917.db2.gz	WIRJQYIUTCSKSF-AESZEHBQSA-N	1	0	352.479	1.839	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCOC3(CCSCC3)C2)C[C@H]1C	ZINC000329781601	676655664	/nfs/dbraw/zinc/65/56/64/676655664.db2.gz	NJBNKDZAJALUHB-OWCLPIDISA-N	1	0	371.547	1.732	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CC[C@@]2(CCOC2)C1	ZINC000329793524	676656901	/nfs/dbraw/zinc/65/69/01/676656901.db2.gz	FRZJDPMEQLUQOT-MLGOLLRUSA-N	1	0	353.444	1.423	20	30		FDEDRO
C[C@H](NC(=O)N[C@@H]1CCCS(=O)(=O)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000329835645	676659864	/nfs/dbraw/zinc/65/98/64/676659864.db2.gz	LMIYABLIUCHUIA-RRFJBIMHSA-N	1	0	357.520	1.720	20	30		FDEDRO
Cc1noc([C@H]2C[C@@H](O)CN2C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)n1	ZINC000329903241	676663155	/nfs/dbraw/zinc/66/31/55/676663155.db2.gz	IEWGWDYPCQCKFV-NWANDNLSSA-N	1	0	351.451	1.520	20	30		FDEDRO
O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N[C@H]1CCCS(=O)(=O)C1	ZINC000329981734	676667125	/nfs/dbraw/zinc/66/71/25/676667125.db2.gz	NWHMGRLPWXGSQK-IRXDYDNUSA-N	1	0	365.499	1.589	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)CCSC1	ZINC000330036631	676669543	/nfs/dbraw/zinc/66/95/43/676669543.db2.gz	CQFXVZJTIIECAA-HOTGVXAUSA-N	1	0	354.476	1.305	20	30		FDEDRO
CC[C@@H]1CN(CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@]2(CCOC2)O1	ZINC000330085686	676671880	/nfs/dbraw/zinc/67/18/80/676671880.db2.gz	CZUHVENYMYFZMG-MJGOQNOKSA-N	1	0	351.491	1.840	20	30		FDEDRO
CC(C)CN1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)[C@H](C)C1=O	ZINC000330194954	676677814	/nfs/dbraw/zinc/67/78/14/676677814.db2.gz	ZHNNLRZRAGUTFZ-OAHLLOKOSA-N	1	0	350.507	1.964	20	30		FDEDRO
CC(C)CN1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)[C@H](C)C1=O	ZINC000330197043	676677822	/nfs/dbraw/zinc/67/78/22/676677822.db2.gz	RGRYIYMXTCVBDC-RHSMWYFYSA-N	1	0	356.536	1.526	20	30		FDEDRO
CN(C(=O)NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CCN(S(C)(=O)=O)C1	ZINC000330198235	676677885	/nfs/dbraw/zinc/67/78/85/676677885.db2.gz	SYULYWQKQKRPNQ-MRXNPFEDSA-N	1	0	372.535	1.273	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)C1	ZINC000330211275	676678693	/nfs/dbraw/zinc/67/86/93/676678693.db2.gz	JALLYGATWSNAHM-CVEARBPZSA-N	1	0	374.551	1.234	20	30		FDEDRO
CCS(=O)(=O)N1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1	ZINC000330253291	676681307	/nfs/dbraw/zinc/68/13/07/676681307.db2.gz	OTCKKFGQDSTFOP-MRXNPFEDSA-N	1	0	372.535	1.321	20	30		FDEDRO
C[C@H](CNC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1)[N@@H+]1CCC[C@@H](C)C1	ZINC000330473547	676692446	/nfs/dbraw/zinc/69/24/46/676692446.db2.gz	ZMITYQBOEOPXSJ-OAGGEKHMSA-N	1	0	374.551	1.282	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1	ZINC000330558473	676696640	/nfs/dbraw/zinc/69/66/40/676696640.db2.gz	ILZYICLTWMUWGW-APWZRJJASA-N	1	0	351.491	1.249	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)N2CCC(O)(C(F)(F)F)CC2)CC1	ZINC000330693277	676700829	/nfs/dbraw/zinc/70/08/29/676700829.db2.gz	BJNIMARCJICYBU-UHFFFAOYSA-N	1	0	353.385	1.400	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)C1	ZINC000330743341	676702910	/nfs/dbraw/zinc/70/29/10/676702910.db2.gz	UBXLZBFCRHNCDG-BZUAXINKSA-N	1	0	374.551	1.328	20	30		FDEDRO
CC[C@H]1CN(C(=O)NC2CCC(C(=O)NC)CC2)CC[N@@H+]1CCOC	ZINC000330836314	676705887	/nfs/dbraw/zinc/70/58/87/676705887.db2.gz	KQIBFMSTRCZXPB-GPANFISMSA-N	1	0	354.495	1.248	20	30		FDEDRO
COc1ccc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc1NS(C)(=O)=O	ZINC000330901891	676708895	/nfs/dbraw/zinc/70/88/95/676708895.db2.gz	XCPMTXCPLGMQFB-VXGBXAGGSA-N	1	0	370.475	1.637	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)Nc2ccc(S(=O)(=O)N(C)C)cn2)CC1	ZINC000331203024	676721600	/nfs/dbraw/zinc/72/16/00/676721600.db2.gz	RELGSUZBWXPRQZ-UHFFFAOYSA-N	1	0	369.491	1.532	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C[C@H]2[C@@H](C)O)CC1	ZINC000331278273	676725405	/nfs/dbraw/zinc/72/54/05/676725405.db2.gz	GUOCYXYNIPIXBD-ZJPYXAASSA-N	1	0	350.507	1.160	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCCC[C@@H]2C[C@H](C)O)CC1	ZINC000331301099	676726347	/nfs/dbraw/zinc/72/63/47/676726347.db2.gz	BYCZMRVJUIFTNE-KSZLIROESA-N	1	0	350.507	1.304	20	30		FDEDRO
CC[C@@H]1CN(C(=O)Nc2cn(C)nc2C(F)(F)F)CC[N@@H+]1C[C@@H](C)O	ZINC000331320971	676727247	/nfs/dbraw/zinc/72/72/47/676727247.db2.gz	JQTJXKWOEBIRTG-GHMZBOCLSA-N	1	0	363.384	1.761	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21	ZINC000362159794	676910307	/nfs/dbraw/zinc/91/03/07/676910307.db2.gz	IMSJHPNOGRDBHZ-YESZJQIVSA-N	1	0	363.483	1.739	20	30		FDEDRO
CO[C@@H]1CCN(C(=O)NCCSCc2ccccc2C#N)[C@H](C[NH3+])C1	ZINC000416874605	679727590	/nfs/dbraw/zinc/72/75/90/679727590.db2.gz	UDIUFOGUNRMAPL-DLBZAZTESA-N	1	0	362.499	1.939	20	30		FDEDRO
Cc1cc(S(=O)(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)ccc1C#N	ZINC000365554378	677363384	/nfs/dbraw/zinc/36/33/84/677363384.db2.gz	ZTTOXAMXIBTDBC-QGZVFWFLSA-N	1	0	362.499	1.267	20	30		FDEDRO
C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)c2ccccc2O1	ZINC000366181583	677419593	/nfs/dbraw/zinc/41/95/93/677419593.db2.gz	HSYLXMGBCVWXBF-CQSZACIVSA-N	1	0	358.423	1.471	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1C#N	ZINC000366639327	677456393	/nfs/dbraw/zinc/45/63/93/677456393.db2.gz	MIKDITMKFQZHBR-USXIJHARSA-N	1	0	363.483	1.739	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)c1	ZINC000368594479	677500672	/nfs/dbraw/zinc/50/06/72/677500672.db2.gz	WQXVZOZIMMQVHY-PBHICJAKSA-N	1	0	363.483	1.317	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1	ZINC000369913199	677527044	/nfs/dbraw/zinc/52/70/44/677527044.db2.gz	QIRYRRQAPASHNF-UHFFFAOYSA-N	1	0	371.547	1.885	20	30		FDEDRO
C=CCN(C(=O)[C@@H](C)NS(C)(=O)=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000369938142	677530012	/nfs/dbraw/zinc/53/00/12/677530012.db2.gz	XLROHJIFAPREGH-NVXWUHKLSA-N	1	0	365.499	1.213	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NCC(C)(C)CC#N	ZINC000422486301	680731931	/nfs/dbraw/zinc/73/19/31/680731931.db2.gz	GNOYVBPWEDAYRB-UHFFFAOYSA-N	1	0	350.488	1.694	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N[C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C	ZINC000374880132	678092760	/nfs/dbraw/zinc/09/27/60/678092760.db2.gz	KSYQQHUKALLCJL-DOMZBBRYSA-N	1	0	365.503	1.263	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)N1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1	ZINC000376409969	678297767	/nfs/dbraw/zinc/29/77/67/678297767.db2.gz	OCUTZVFWPARKBM-GDBMZVCRSA-N	1	0	357.520	1.682	20	30		FDEDRO
C[C@@H]([NH2+]CCN1C(=O)CNC1=O)c1nc(-c2ccc(C#N)cc2)cs1	ZINC000376841748	678390251	/nfs/dbraw/zinc/39/02/51/678390251.db2.gz	JGDNHLFLXMQSRM-LLVKDONJSA-N	1	0	355.423	1.884	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)Cc3cccc(C#N)c3)CC2)C1	ZINC000377736550	678602190	/nfs/dbraw/zinc/60/21/90/678602190.db2.gz	BEWDGKMLZBREGB-GOSISDBHSA-N	1	0	362.499	1.100	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000423625449	680805666	/nfs/dbraw/zinc/80/56/66/680805666.db2.gz	FRYVWNBEDJSARQ-ZDUSSCGKSA-N	1	0	358.364	1.212	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000410151071	678886348	/nfs/dbraw/zinc/88/63/48/678886348.db2.gz	FGLHVDCCUSQVQJ-KRWDZBQOSA-N	1	0	350.488	1.721	20	30		FDEDRO
N#C[C@H]1CN(S(=O)(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)CCO1	ZINC000410159712	678888095	/nfs/dbraw/zinc/88/80/95/678888095.db2.gz	ALEFJJQWGNXIPU-SJORKVTESA-N	1	0	370.519	1.090	20	30		FDEDRO
COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)N(C)C[C@H](C)C#N)c1	ZINC000410397333	678893325	/nfs/dbraw/zinc/89/33/25/678893325.db2.gz	HIYXIWSHOPOXHC-OAHLLOKOSA-N	1	0	368.503	1.395	20	30		FDEDRO
CC[NH+](CC)CCCC1CCN(C(=O)C(=O)N(C)C[C@H](C)C#N)CC1	ZINC000410787842	678951046	/nfs/dbraw/zinc/95/10/46/678951046.db2.gz	UPRVUGVVRPXFSV-MRXNPFEDSA-N	1	0	350.507	1.965	20	30		FDEDRO
CN(C)C(=O)[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000411961856	679136748	/nfs/dbraw/zinc/13/67/48/679136748.db2.gz	YHQVYOKCIACLPT-LBPRGKRZSA-N	1	0	360.483	1.847	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCN(c2cc(C(F)(F)F)cnc2C#N)CC1	ZINC000413189009	679244346	/nfs/dbraw/zinc/24/43/46/679244346.db2.gz	HZRBIZJGZURNGV-UHFFFAOYSA-N	1	0	355.364	1.572	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCc2ccccc2S(C)(=O)=O)CC1	ZINC000413234929	679247749	/nfs/dbraw/zinc/24/77/49/679247749.db2.gz	ITJZERVBJKEZOB-UHFFFAOYSA-N	1	0	365.499	1.930	20	30		FDEDRO
N#Cc1cccc(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)c1Br	ZINC000413799929	679298726	/nfs/dbraw/zinc/29/87/26/679298726.db2.gz	OZQWEZBUJWQLMC-CYBMUJFWSA-N	1	0	366.259	1.897	20	30		FDEDRO
C=CC[C@@H](CO)C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1	ZINC000414364773	679341980	/nfs/dbraw/zinc/34/19/80/679341980.db2.gz	JHZFSFYFQZZAPX-LLVKDONJSA-N	1	0	363.277	1.371	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1	ZINC000414888995	679372475	/nfs/dbraw/zinc/37/24/75/679372475.db2.gz	FWMIEVHTNVYXRF-OKILXGFUSA-N	1	0	364.471	1.176	20	30		FDEDRO
C[C@@H]([NH3+])[C@H](C)NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	ZINC000414915071	679373911	/nfs/dbraw/zinc/37/39/11/679373911.db2.gz	PNHYRWNXPUTIRE-ZJUUUORDSA-N	1	0	362.484	2.559	20	30		FDEDRO
N#Cc1ccc(CSc2nnc(NC(=O)N[C@@H](C[NH3+])C3CC3)s2)cc1	ZINC000414918084	679374164	/nfs/dbraw/zinc/37/41/64/679374164.db2.gz	XNJHQISLPQRCQA-ZDUSSCGKSA-N	1	0	374.495	2.561	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)ccc1Br	ZINC000415262367	679397298	/nfs/dbraw/zinc/39/72/98/679397298.db2.gz	GDJYNONOHSOSKT-JTQLQIEISA-N	1	0	351.204	1.209	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC[NH2+]CC2)ccc1OC(F)(F)F	ZINC000415317877	679407477	/nfs/dbraw/zinc/40/74/77/679407477.db2.gz	LTSSSOKDMSVGQS-UHFFFAOYSA-N	1	0	356.304	1.217	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1	ZINC000415468291	679435339	/nfs/dbraw/zinc/43/53/39/679435339.db2.gz	WBZBXQKFRQLFAY-BXUZGUMPSA-N	1	0	358.833	2.517	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N[C@@H](CC[NH3+])C(F)F)n2)c(F)c1	ZINC000415470027	679435874	/nfs/dbraw/zinc/43/58/74/679435874.db2.gz	YIHOFBKQQJKRME-NSHDSACASA-N	1	0	352.320	1.987	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1	ZINC000415594925	679460894	/nfs/dbraw/zinc/46/08/94/679460894.db2.gz	HARVVEOHTWEEIZ-YRGRVCCFSA-N	1	0	350.444	1.764	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1	ZINC000415595569	679461189	/nfs/dbraw/zinc/46/11/89/679461189.db2.gz	HJSUSUVSKQECHS-RISCZKNCSA-N	1	0	352.460	1.867	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1	ZINC000415599047	679461872	/nfs/dbraw/zinc/46/18/72/679461872.db2.gz	LVJBPOXAMYMWEB-MCIONIFRSA-N	1	0	364.471	1.821	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1	ZINC000415599457	679462108	/nfs/dbraw/zinc/46/21/08/679462108.db2.gz	MNKZJJLCNALONS-NFAWXSAZSA-N	1	0	364.471	1.963	20	30		FDEDRO
C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000415619106	679466412	/nfs/dbraw/zinc/46/64/12/679466412.db2.gz	HEQZTDPTPRYZLH-TVQRCGJNSA-N	1	0	354.332	1.630	20	30		FDEDRO
CN(C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)C1CC([NH3+])C1	ZINC000415792068	679503144	/nfs/dbraw/zinc/50/31/44/679503144.db2.gz	RHOXVUDMYXIISY-UHFFFAOYSA-N	1	0	356.304	1.343	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1C(F)(F)F	ZINC000415816960	679513334	/nfs/dbraw/zinc/51/33/34/679513334.db2.gz	PBSCSWPFEVTDEX-MFKMUULPSA-N	1	0	352.316	1.336	20	30		FDEDRO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21	ZINC000415818543	679513760	/nfs/dbraw/zinc/51/37/60/679513760.db2.gz	UVPPYMJKSHZFFL-GUTXKFCHSA-N	1	0	358.467	1.697	20	30		FDEDRO
C[N@@H+]1CC[C@H](CNS(=O)(=O)c2cc(Br)ccc2C#N)C1	ZINC000416495332	679639730	/nfs/dbraw/zinc/63/97/30/679639730.db2.gz	LKUSDDJWQCFDDW-SNVBAGLBSA-N	1	0	358.261	1.551	20	30		FDEDRO
CCCC[C@@H](C[NH3+])NC(=O)N1CCN(c2snc(C)c2C#N)CC1	ZINC000418452110	680068285	/nfs/dbraw/zinc/06/82/85/680068285.db2.gz	WYIHAHNFZGQLEF-ZDUSSCGKSA-N	1	0	350.492	1.672	20	30		FDEDRO
C=C(CC)CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1	ZINC000418885752	680148997	/nfs/dbraw/zinc/14/89/97/680148997.db2.gz	JIKMDJWUVAUJFJ-CJNGLKHVSA-N	1	0	351.397	1.609	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1	ZINC000420096215	680400153	/nfs/dbraw/zinc/40/01/53/680400153.db2.gz	KNOWLVRJWQIBSF-CZUORRHYSA-N	1	0	351.397	1.561	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N1CCCC[C@@H]1C[NH3+]	ZINC000420411355	680441930	/nfs/dbraw/zinc/44/19/30/680441930.db2.gz	BSIOQCCJNPVVIB-SNVBAGLBSA-N	1	0	358.261	1.823	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)NC[C@@H]1CCC[NH2+]C1	ZINC000420422475	680445330	/nfs/dbraw/zinc/44/53/30/680445330.db2.gz	PWEXMROHYOIQGK-SNVBAGLBSA-N	1	0	358.261	1.599	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000420443889	680454339	/nfs/dbraw/zinc/45/43/39/680454339.db2.gz	YUMQVQKPZYHNKI-RNCFNFMXSA-N	1	0	358.261	1.597	20	30		FDEDRO
C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)NCC(C)(C)CC#N)C1	ZINC000421657397	680670521	/nfs/dbraw/zinc/67/05/21/680670521.db2.gz	TVKLCWCIQZJMKV-HZPDHXFCSA-N	1	0	350.507	1.917	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1	ZINC000425889059	680939389	/nfs/dbraw/zinc/93/93/89/680939389.db2.gz	UIKKPKZCUBPBPA-JYJNAYRXSA-N	1	0	351.491	1.320	20	30		FDEDRO
Cc1oc(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2NS(C)(=O)=O)c(C#N)c1C	ZINC000429706846	681045116	/nfs/dbraw/zinc/04/51/16/681045116.db2.gz	FNGJFOKFCWUDEC-KBPBESRZSA-N	1	0	368.459	1.157	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C	ZINC000430401601	681075311	/nfs/dbraw/zinc/07/53/11/681075311.db2.gz	CIJIHXCNPWQBNU-ULQDDVLXSA-N	1	0	351.491	1.417	20	30		FDEDRO
N#CCCn1cc(C[NH2+]C[C@@H]2CCCS2(=O)=O)c(-c2ccncc2)n1	ZINC000433319512	681179173	/nfs/dbraw/zinc/17/91/73/681179173.db2.gz	OTUQKZNFYSAVIQ-INIZCTEOSA-N	1	0	359.455	1.526	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)CC1(C#N)CCC1	ZINC000474587322	685427212	/nfs/dbraw/zinc/42/72/12/685427212.db2.gz	SJGCMXMEDAPFLQ-INIZCTEOSA-N	1	0	356.536	1.358	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000437330267	681781619	/nfs/dbraw/zinc/78/16/19/681781619.db2.gz	XTVSULWVHDNUGF-QGZVFWFLSA-N	1	0	350.488	1.531	20	30		FDEDRO
N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)C1	ZINC000442794116	682181338	/nfs/dbraw/zinc/18/13/38/682181338.db2.gz	RJZVTMPOKPKEDP-ZACQAIPSSA-N	1	0	363.483	1.926	20	30		FDEDRO
CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000443351402	682285166	/nfs/dbraw/zinc/28/51/66/682285166.db2.gz	MUEQBEZVSVZKHA-GFCCVEGCSA-N	1	0	370.431	1.102	20	30		FDEDRO
CC[C@H]([NH2+][C@@H](C)C(=O)NC[C@H]1CCS(=O)(=O)C1)c1ccc(C#N)cc1	ZINC000447588503	682555889	/nfs/dbraw/zinc/55/58/89/682555889.db2.gz	UQGRWJQKVBEPID-LXZKKBNFSA-N	1	0	363.483	1.538	20	30		FDEDRO
N#CCCN(C(=O)C[NH2+][C@H](CO)[C@H]1CCCO1)c1cccc(Cl)c1	ZINC000447918021	682579089	/nfs/dbraw/zinc/57/90/89/682579089.db2.gz	RVPRXXNLGMRQOG-HZPDHXFCSA-N	1	0	351.834	1.716	20	30		FDEDRO
C[N@H+](CCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C1CC1	ZINC000448800761	682638097	/nfs/dbraw/zinc/63/80/97/682638097.db2.gz	ZFAVGCKCPGWGSR-ZDUSSCGKSA-N	1	0	360.845	1.775	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNS(=O)(=O)CC2(CC#N)CC2)ccn1	ZINC000451352928	682867365	/nfs/dbraw/zinc/86/73/65/682867365.db2.gz	IOJZKHHWVWXKOS-UHFFFAOYSA-N	1	0	352.460	1.135	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1	ZINC000451655582	682913742	/nfs/dbraw/zinc/91/37/42/682913742.db2.gz	YNZAORWRDGFCPR-INIZCTEOSA-N	1	0	360.524	1.193	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000453588011	683167004	/nfs/dbraw/zinc/16/70/04/683167004.db2.gz	UPVMEJVTTALBDD-LBPRGKRZSA-N	1	0	363.849	1.926	20	30		FDEDRO
CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000453700921	683189971	/nfs/dbraw/zinc/18/99/71/683189971.db2.gz	BCPRHCNJWFRNRV-OLZOCXBDSA-N	1	0	361.833	1.630	20	30		FDEDRO
CC[C@@H]1CN(C(=O)Nc2cnc(C#N)c(Cl)c2)CC[N@@H+]1C[C@@H](C)O	ZINC000455780399	683499557	/nfs/dbraw/zinc/49/95/57/683499557.db2.gz	ILCZUKCUJUMXDJ-DGCLKSJQSA-N	1	0	351.838	1.916	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1	ZINC000459861149	684472206	/nfs/dbraw/zinc/47/22/06/684472206.db2.gz	CGYPKUHTBHOOSN-CQSZACIVSA-N	1	0	351.472	1.052	20	30		FDEDRO
C=CC[NH+]1CCC(Nc2ccc(S(=O)(=O)NCC3CC3)cn2)CC1	ZINC000462824571	684663242	/nfs/dbraw/zinc/66/32/42/684663242.db2.gz	DXKWTGUVVIRLAM-UHFFFAOYSA-N	1	0	350.488	1.832	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N(C)[C@H](C)C1CC[NH+](C)CC1	ZINC000464198092	684727917	/nfs/dbraw/zinc/72/79/17/684727917.db2.gz	JNDDDNOLGZPNKL-CYBMUJFWSA-N	1	0	351.472	1.918	20	30		FDEDRO
Cc1ccc(C(=O)NC2(C[NH+](C)C)CCC2)cc1S(=O)(=O)NCC#N	ZINC000467723490	684873772	/nfs/dbraw/zinc/87/37/72/684873772.db2.gz	DZDSLCXLXPFMSW-UHFFFAOYSA-N	1	0	364.471	1.011	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)CN1C(=O)NC(=O)C1(C)C)C(C)C	ZINC000469505716	684972728	/nfs/dbraw/zinc/97/27/28/684972728.db2.gz	WZVSLYPKIHFJGN-CQSZACIVSA-N	1	0	350.463	1.132	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C[C@H]1C	ZINC000472323679	685197566	/nfs/dbraw/zinc/19/75/66/685197566.db2.gz	FLYYOANADRBGHM-CHWSQXEVSA-N	1	0	366.443	1.960	20	30		FDEDRO
C[NH+](C)[C@@]1(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)CCSC1	ZINC000481348087	686324158	/nfs/dbraw/zinc/32/41/58/686324158.db2.gz	YWHXSRPXGJSOJW-CQSZACIVSA-N	1	0	359.904	1.927	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](CC2CCC2)[C@@H](C)CO)CC1	ZINC000483140697	686470908	/nfs/dbraw/zinc/47/09/08/686470908.db2.gz	FYFFEEAQVPGMKJ-FUHWJXTLSA-N	1	0	350.507	1.162	20	30		FDEDRO
C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1	ZINC000486121317	686836921	/nfs/dbraw/zinc/83/69/21/686836921.db2.gz	AIQZOBPEHNEUQT-UHOFOFEASA-N	1	0	358.467	1.596	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@@H](COCC3CC3)C2)CC1	ZINC000486192203	686848073	/nfs/dbraw/zinc/84/80/73/686848073.db2.gz	RCGNMMGAIMKAMR-GOSISDBHSA-N	1	0	351.491	1.864	20	30		FDEDRO
N#Cc1ccc(SCC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1	ZINC000489955810	687123628	/nfs/dbraw/zinc/12/36/28/687123628.db2.gz	JJSJXEMGFYABRD-HNNXBMFYSA-N	1	0	360.483	1.354	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c1	ZINC000490041473	687128310	/nfs/dbraw/zinc/12/83/10/687128310.db2.gz	RWVBHMFUZHMOIW-SFHVURJKSA-N	1	0	363.483	1.367	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCC[C@@H]1C(=O)NC)C(C)C	ZINC000498537879	687806669	/nfs/dbraw/zinc/80/66/69/687806669.db2.gz	AHQLDMFIPYGKKQ-YESZJQIVSA-N	1	0	350.507	1.899	20	30		FDEDRO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCCSCC2)CC1	ZINC000503442531	688358851	/nfs/dbraw/zinc/35/88/51/688358851.db2.gz	KRNVWPQGVRXINW-HNNXBMFYSA-N	1	0	364.540	1.896	20	30		FDEDRO
C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1	ZINC000505347944	688493970	/nfs/dbraw/zinc/49/39/70/688493970.db2.gz	FARPDLFAIKMHBX-NSHDSACASA-N	1	0	356.348	1.501	20	30		FDEDRO
C[C@H](CO)[N@@H+]1CCCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1	ZINC000505347943	688494003	/nfs/dbraw/zinc/49/40/03/688494003.db2.gz	FARPDLFAIKMHBX-LLVKDONJSA-N	1	0	356.348	1.501	20	30		FDEDRO
C=CC[C@@H]1N(C(=O)C(=O)NCC[N@@H+](C)CCCOC)CCCC1(C)C	ZINC000509720951	689304199	/nfs/dbraw/zinc/30/41/99/689304199.db2.gz	LLTBVTPBDHGZEJ-INIZCTEOSA-N	1	0	353.507	1.664	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1	ZINC000510871449	689431265	/nfs/dbraw/zinc/43/12/65/689431265.db2.gz	FSJMJVZJIOJAOK-ZDUSSCGKSA-N	1	0	362.396	1.529	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](COC(F)F)C2)CC1	ZINC000512826741	689643307	/nfs/dbraw/zinc/64/33/07/689643307.db2.gz	GKSMXADGINAJBI-GJZGRUSLSA-N	1	0	358.433	1.240	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](COC(F)F)C2)CC1	ZINC000512826737	689643478	/nfs/dbraw/zinc/64/34/78/689643478.db2.gz	GKSMXADGINAJBI-CABCVRRESA-N	1	0	358.433	1.240	20	30		FDEDRO
C[C@H](C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1)n1cnc(C#N)n1	ZINC000515305338	689839050	/nfs/dbraw/zinc/83/90/50/689839050.db2.gz	UGXPHFSNESFHFF-TZMCWYRMSA-N	1	0	360.849	1.826	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1	ZINC000515339503	689843399	/nfs/dbraw/zinc/84/33/99/689843399.db2.gz	JONPGUSGRIDLPN-QZTJIDSGSA-N	1	0	363.483	1.606	20	30		FDEDRO
C=C(C)CC[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C	ZINC000515638263	689880157	/nfs/dbraw/zinc/88/01/57/689880157.db2.gz	ZODXWSUZWCXDBV-UHFFFAOYSA-N	1	0	360.501	1.266	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)NCCC[NH+]3CCCC3)CC2)c1C#N	ZINC000517385353	690062744	/nfs/dbraw/zinc/06/27/44/690062744.db2.gz	YVNMUGXKCDYOKM-UHFFFAOYSA-N	1	0	362.503	1.641	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2CC[NH3+])c1	ZINC000519770769	690264208	/nfs/dbraw/zinc/26/42/08/690264208.db2.gz	LUWPTEHCOXYJOZ-OAHLLOKOSA-N	1	0	351.472	1.494	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2F)C[C@@H]1[NH+]1CCCC1	ZINC000525836336	694637375	/nfs/dbraw/zinc/63/73/75/694637375.db2.gz	GECFIRBYEDPIGZ-LSDHHAIUSA-N	1	0	369.487	1.898	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)CN1CCC[C@]2(CCS(=O)(=O)C2)C1	ZINC000528517348	694726015	/nfs/dbraw/zinc/72/60/15/694726015.db2.gz	HERMHIHQNJBXBN-WMZOPIPTSA-N	1	0	364.467	1.199	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC2(C[NH3+])CCOCC2)cc1	ZINC000528689121	694743527	/nfs/dbraw/zinc/74/35/27/694743527.db2.gz	PMPZGQOVIZHOQA-GFCCVEGCSA-N	1	0	366.443	1.002	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1N[C@@H](C)CN1CC[NH+](C)CC1	ZINC000641363035	696069810	/nfs/dbraw/zinc/06/98/10/696069810.db2.gz	WCGBKXYPAXPILK-HNNXBMFYSA-N	1	0	352.504	1.199	20	30		FDEDRO
COc1cc(C(F)(F)N2C[C@H]3C[NH2+]C[C@]3(CO)C2)c(C#N)c(Cl)n1	ZINC001164404585	718852305	/nfs/dbraw/zinc/85/23/05/718852305.db2.gz	KJSXNPBQHVHKTJ-YMTOWFKASA-N	1	0	358.776	1.178	20	30		FDEDRO
CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(Cl)nc(C#N)c1	ZINC001164619675	719014718	/nfs/dbraw/zinc/01/47/18/719014718.db2.gz	WSLCUODFFZLTBA-JIMOISOXSA-N	1	0	370.787	1.881	20	30		FDEDRO
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cncc(CC#N)n1)CCC2	ZINC001164812932	720231792	/nfs/dbraw/zinc/23/17/92/720231792.db2.gz	KNFIKBZDYAEXEG-UHFFFAOYSA-N	1	0	367.457	1.350	20	30		FDEDRO
Cc1nc(C#N)cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1	ZINC001164821782	720353452	/nfs/dbraw/zinc/35/34/52/720353452.db2.gz	BWSIOQLYKIHOJZ-MSOLQXFVSA-N	1	0	368.485	1.568	20	30		FDEDRO
CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nccnc3C#N)CC[C@@H]21	ZINC001164834010	720508945	/nfs/dbraw/zinc/50/89/45/720508945.db2.gz	FDJPJDTUEHPUIV-BQFCYCMXSA-N	1	0	351.458	1.923	20	30		FDEDRO
C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(Cl)c(C#N)cc2C#N)C1	ZINC001164725928	720514012	/nfs/dbraw/zinc/51/40/12/720514012.db2.gz	AALJOOUHXDYLIP-LBPRGKRZSA-N	1	0	355.833	1.873	20	30		FDEDRO
N#Cc1cccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC001164751242	720812250	/nfs/dbraw/zinc/81/22/50/720812250.db2.gz	XPJACDWBNHLYKU-IPMKNSEASA-N	1	0	363.469	1.924	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3cc(C#N)cc(Cl)n3)CC[C@H]2C1	ZINC001164849135	720830048	/nfs/dbraw/zinc/83/00/48/720830048.db2.gz	OXHKHLLQKUASJU-GJZGRUSLSA-N	1	0	350.850	1.780	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3ccc4c(C#N)c[nH]c4n3)CC[C@H]2C1	ZINC001164851533	720860392	/nfs/dbraw/zinc/86/03/92/720860392.db2.gz	ANDFXOUJAGNOJT-YOEHRIQHSA-N	1	0	355.442	1.608	20	30		FDEDRO
N#Cc1cnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(F)c1	ZINC001164865188	721118311	/nfs/dbraw/zinc/11/83/11/721118311.db2.gz	JLTUZQHZIYGIRM-IRXDYDNUSA-N	1	0	353.401	1.967	20	30		FDEDRO
N#Cc1ncc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1C#N	ZINC001164880995	721155737	/nfs/dbraw/zinc/15/57/37/721155737.db2.gz	YSLCHWKJLBQCOS-CVEARBPZSA-N	1	0	361.409	1.095	20	30		FDEDRO
CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cnc(C#N)cn4)C3)O2)CC1	ZINC001164885612	721389578	/nfs/dbraw/zinc/38/95/78/721389578.db2.gz	CVLJXLNBMRJKQJ-IEBWSBKVSA-N	1	0	356.474	1.114	20	30		FDEDRO
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC[C@H]([NH+](C)C)C1	ZINC001165034332	721896318	/nfs/dbraw/zinc/89/63/18/721896318.db2.gz	CKPLGRMOGUKGGJ-UONOGXRCSA-N	1	0	353.426	1.940	20	30		FDEDRO
Cc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(C#N)n1	ZINC001164983841	722136406	/nfs/dbraw/zinc/13/64/06/722136406.db2.gz	VOGGJKFVEDAIOK-MJGOQNOKSA-N	1	0	364.453	1.779	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)Oc1cccnc1)C2	ZINC001112527758	805579618	/nfs/dbraw/zinc/57/96/18/805579618.db2.gz	UNAIUYZUDCKMTO-LQWHRVPQSA-N	1	0	371.481	1.717	20	30		FDEDRO
COC(=O)COc1ccc([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)cc1	ZINC000274501373	768823914	/nfs/dbraw/zinc/82/39/14/768823914.db2.gz	VEHSBVOSFBGLJD-IFXJQAMLSA-N	1	0	361.442	1.943	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CC45CCC5)[C@@H]3C2)CC1	ZINC000972177858	782728554	/nfs/dbraw/zinc/72/85/54/782728554.db2.gz	MATCUJNHNFTKSX-GUDVDZBRSA-N	1	0	369.509	1.581	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc1F	ZINC001020407064	769216534	/nfs/dbraw/zinc/21/65/34/769216534.db2.gz	MPEFFMUJNRWLPK-FKLUBVLPSA-N	1	0	355.413	1.858	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCO[C@@H]3C[N@H+](CC[C@@H]4CCCO4)C[C@@H]32)c1	ZINC001083188453	769983222	/nfs/dbraw/zinc/98/32/22/769983222.db2.gz	WCCLXEPBRNGZKP-GBESFXJTSA-N	1	0	355.438	1.157	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C(N)=O)c2ccc(F)cc2)C1	ZINC001022736772	782797617	/nfs/dbraw/zinc/79/76/17/782797617.db2.gz	BKFSGZAFMFWWTC-ALYAQQCSSA-N	1	0	361.417	1.180	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1C	ZINC001020490741	770036415	/nfs/dbraw/zinc/03/64/15/770036415.db2.gz	KNABXTUAODJDFZ-ADHGMGHFSA-N	1	0	363.502	1.558	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)ccc1F	ZINC000969397614	770082271	/nfs/dbraw/zinc/08/22/71/770082271.db2.gz	PJLYYNGGEGFLGH-OMWFQVSUSA-N	1	0	355.413	1.811	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(-n4cccn4)ccn3)[C@H]2C1	ZINC001083190218	770224806	/nfs/dbraw/zinc/22/48/06/770224806.db2.gz	DJSIDQYLORQVEE-ZWKOTPCHSA-N	1	0	353.426	1.369	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1	ZINC001020590312	770902071	/nfs/dbraw/zinc/90/20/71/770902071.db2.gz	RYLLASZLRVSHBG-YHUYYLMFSA-N	1	0	358.417	1.158	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1	ZINC001167103102	771253939	/nfs/dbraw/zinc/25/39/39/771253939.db2.gz	MRCBWVLLCFUNPS-ZWKOTPCHSA-N	1	0	367.453	1.700	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1	ZINC001020726153	771303233	/nfs/dbraw/zinc/30/32/33/771303233.db2.gz	BRQCXBQAZTVDDG-WOYTXXSLSA-N	1	0	370.515	1.029	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc(C(C)C)n2C)C1	ZINC001020726714	771308687	/nfs/dbraw/zinc/30/86/87/771308687.db2.gz	SWVZZIVIPHBUBT-JKQORVJESA-N	1	0	361.490	1.657	20	30		FDEDRO
COc1cc(/C=C/C(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)ccc1OCC#N	ZINC000275192195	771379018	/nfs/dbraw/zinc/37/90/18/771379018.db2.gz	FWCILWPBNPYVBK-KJKYUDHTSA-N	1	0	373.453	1.524	20	30		FDEDRO
C=C(Br)CN1C[C@H]2OCCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]2C1	ZINC001083195558	771412786	/nfs/dbraw/zinc/41/27/86/771412786.db2.gz	BLPIJIGMJMTEMV-MELADBBJSA-N	1	0	360.296	1.147	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C(CC=C)CC=C)C[C@H]1C	ZINC001104231461	771430195	/nfs/dbraw/zinc/43/01/95/771430195.db2.gz	BBTDACJGEXCIPT-ZIFCJYIRSA-N	1	0	359.514	1.967	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](O)Cn2cccn2)C1	ZINC001104239981	771610040	/nfs/dbraw/zinc/61/00/40/771610040.db2.gz	ZXROQPVUSKDINJ-KZNAEPCWSA-N	1	0	362.518	1.921	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2c(F)cncc2F)C[C@H]1C	ZINC001104243854	771719849	/nfs/dbraw/zinc/71/98/49/771719849.db2.gz	AUZZHBGAESPABJ-CHWSQXEVSA-N	1	0	366.412	1.350	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1	ZINC000430383782	771728168	/nfs/dbraw/zinc/72/81/68/771728168.db2.gz	JFMKZLFZAKRRLD-SJLPKXTDSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC001167215171	771745211	/nfs/dbraw/zinc/74/52/11/771745211.db2.gz	UPLJPMKXHJQPAB-BBWFWOEESA-N	1	0	365.518	1.853	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnc3n2CCOC3)C1	ZINC001104245405	771761598	/nfs/dbraw/zinc/76/15/98/771761598.db2.gz	GYVGMXMRBFJVDM-HZPDHXFCSA-N	1	0	361.490	1.739	20	30		FDEDRO
N#Cc1cc(F)cc(C2(C(=O)NCCC[N@H+]3CCC[C@@H]3C(N)=O)CC2)c1	ZINC000510249578	771792491	/nfs/dbraw/zinc/79/24/91/771792491.db2.gz	AHVFVTICSXDUIA-MRXNPFEDSA-N	1	0	358.417	1.185	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1	ZINC000430408122	771829709	/nfs/dbraw/zinc/82/97/09/771829709.db2.gz	YIZZLZDCWVGRNY-KURKYZTESA-N	1	0	363.502	1.561	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)NC(C)(C)CC)CC1	ZINC001167274242	771850514	/nfs/dbraw/zinc/85/05/14/771850514.db2.gz	OGQGGSFWBZDEEL-CVEARBPZSA-N	1	0	365.518	1.758	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+][C@H](CCCC)C(N)=O)CC1	ZINC001167277826	771856974	/nfs/dbraw/zinc/85/69/74/771856974.db2.gz	UZCFOYSIYVKTHO-OAGGEKHMSA-N	1	0	351.491	1.498	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cnc3[nH]cnc3c2)C[C@H]1C	ZINC001104248796	771938375	/nfs/dbraw/zinc/93/83/75/771938375.db2.gz	WRGJYVUTVLSXAY-HUUCEWRRSA-N	1	0	357.458	1.848	20	30		FDEDRO
CC(C)[C@@H](C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)N1CCCC1=O	ZINC000328665129	771945897	/nfs/dbraw/zinc/94/58/97/771945897.db2.gz	BZRCXWFSTZIPLI-IBGZPJMESA-N	1	0	373.501	1.937	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2cccc(N(C)S(C)(=O)=O)c2)CC1	ZINC000890860453	771983278	/nfs/dbraw/zinc/98/32/78/771983278.db2.gz	WFWSWWAUMXLKTH-UHFFFAOYSA-N	1	0	363.483	1.044	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]CC1(CCNC(=O)[C@H]2CC[C@@H](C)O2)CC1	ZINC001167292457	772326294	/nfs/dbraw/zinc/32/62/94/772326294.db2.gz	FSHJUHLQWNGOLC-HZPDHXFCSA-N	1	0	364.490	1.192	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)CC2)c1	ZINC000277688524	783003209	/nfs/dbraw/zinc/00/32/09/783003209.db2.gz	FQRYDONVERQXCI-GOSISDBHSA-N	1	0	368.485	1.802	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cc(C3CC3)nn2C)C[C@H]1C	ZINC001104252740	772357015	/nfs/dbraw/zinc/35/70/15/772357015.db2.gz	PJORBROXKKDOTM-NVXWUHKLSA-N	1	0	358.486	1.635	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCC2)C1)OCC	ZINC001104255338	772427325	/nfs/dbraw/zinc/42/73/25/772427325.db2.gz	HMSJDLSDWVZBPN-KZNAEPCWSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C(C)C)C2)C[C@H]1C	ZINC001104259232	772511591	/nfs/dbraw/zinc/51/15/91/772511591.db2.gz	DIUZHRLRXODKMP-KZNAEPCWSA-N	1	0	365.518	1.520	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(Cn3ccnn3)o1)C2	ZINC001112484357	772626913	/nfs/dbraw/zinc/62/69/13/772626913.db2.gz	LHWSWXFKMVIAIK-KXBFYZLASA-N	1	0	353.426	1.385	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc(C#N)c2)CCN1c1cc[nH+]cc1	ZINC000890989894	772669554	/nfs/dbraw/zinc/66/95/54/772669554.db2.gz	KYMVVUWZKZECRK-ZDUSSCGKSA-N	1	0	367.384	1.768	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH]cn2)C[C@H]1C	ZINC001104274862	772715914	/nfs/dbraw/zinc/71/59/14/772715914.db2.gz	YKVFPRKPMCPPPF-OWCLPIDISA-N	1	0	361.490	1.107	20	30		FDEDRO
C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1	ZINC000275636541	772890937	/nfs/dbraw/zinc/89/09/37/772890937.db2.gz	DBTPVZXGZWVPGL-OAHLLOKOSA-N	1	0	371.485	1.774	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCN2CCCC2=O)C1	ZINC000970560348	772954236	/nfs/dbraw/zinc/95/42/36/772954236.db2.gz	LSOLPVWURCUABQ-IEZWGBDMSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCc2cnn(CC)c2)C1	ZINC000970571260	772988748	/nfs/dbraw/zinc/98/87/48/772988748.db2.gz	IVEHOCLYRPMBKK-SNRMKQJTSA-N	1	0	360.502	1.863	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCn2nc(C)nc2C)C1	ZINC000970571428	772988800	/nfs/dbraw/zinc/98/88/00/772988800.db2.gz	KIWZSKZTHNICQF-BVGQSLNGSA-N	1	0	361.490	1.313	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccnc3[nH]c(CC)nc31)C2	ZINC001112487476	773121423	/nfs/dbraw/zinc/12/14/23/773121423.db2.gz	FMHYXXSZWZMFRJ-XOBRGWDASA-N	1	0	351.454	1.985	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3ccc(Cl)c(F)c3)[C@H]2C1	ZINC001083204735	773342299	/nfs/dbraw/zinc/34/22/99/773342299.db2.gz	CAYOQZCVJDXUBO-DLBZAZTESA-N	1	0	350.821	1.957	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCCS2(=O)=O)C[C@H]1C	ZINC001104289534	773584358	/nfs/dbraw/zinc/58/43/58/773584358.db2.gz	MCYLPJZHLBLWJB-BRWVUGGUSA-N	1	0	356.532	1.994	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2c(C)oc3nc[nH]c(=O)c32)C[C@H]1C	ZINC001104294036	773877117	/nfs/dbraw/zinc/87/71/17/773877117.db2.gz	RWYLEJXIXAHIAM-TZMCWYRMSA-N	1	0	356.426	1.948	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn(C)nc1[C@@H]1CCOC1)C2	ZINC001112494374	773936301	/nfs/dbraw/zinc/93/63/01/773936301.db2.gz	QZBWIHWUJUDFBY-WWMYMODYSA-N	1	0	370.497	1.779	20	30		FDEDRO
Cc1ncc2n1CC[C@@H](C(=O)N1C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C1)C2	ZINC001021590633	774118034	/nfs/dbraw/zinc/11/80/34/774118034.db2.gz	ICBOBPODZGUMOH-ZIFCJYIRSA-N	1	0	366.465	1.227	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C3CC3)CCC1)C2	ZINC001112496318	774330670	/nfs/dbraw/zinc/33/06/70/774330670.db2.gz	QTJOQHZDHXBMPV-MMOPVJDHSA-N	1	0	371.525	1.923	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21	ZINC001021643223	774343204	/nfs/dbraw/zinc/34/32/04/774343204.db2.gz	PQULQXPBEGWDHK-JCGIZDLHSA-N	1	0	369.469	1.432	20	30		FDEDRO
C[C@@H]1CCN(C(=O)CS(C)(=O)=O)[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001087130273	774431951	/nfs/dbraw/zinc/43/19/51/774431951.db2.gz	IWQVPTUWCNZYJV-PBHICJAKSA-N	1	0	363.483	1.320	20	30		FDEDRO
C[NH+]=C(NCC1CCC(C)CC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1	ZINC000261660520	774800952	/nfs/dbraw/zinc/80/09/52/774800952.db2.gz	AZORGNZKORURSJ-SVGDTCPJSA-N	1	0	363.506	1.698	20	30		FDEDRO
CCCc1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)ccn1	ZINC001104321269	774934022	/nfs/dbraw/zinc/93/40/22/774934022.db2.gz	YTGNPWUCSDBMDY-NVXWUHKLSA-N	1	0	371.485	1.362	20	30		FDEDRO
C=CC[NH2+]CC1(CCNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1	ZINC001167437546	774942700	/nfs/dbraw/zinc/94/27/00/774942700.db2.gz	BUOYUQCDFJRGNC-FUHWJXTLSA-N	1	0	356.470	1.663	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C3CC3)on1)C2	ZINC001112500827	775002114	/nfs/dbraw/zinc/00/21/14/775002114.db2.gz	SFENNKDQIZGSEK-LIRRHRJNSA-N	1	0	371.441	1.024	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cscc2Cl)C[C@H]1C	ZINC001104327577	775133578	/nfs/dbraw/zinc/13/35/78/775133578.db2.gz	ULVKKWZKIFBPJG-CHWSQXEVSA-N	1	0	367.902	1.839	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H](C[NH2+]C[C@H]2CCc3ncnn32)C1	ZINC001087144134	775228291	/nfs/dbraw/zinc/22/82/91/775228291.db2.gz	ZLSUNXYKVLKPEP-BMFZPTHFSA-N	1	0	367.457	1.496	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1cccc(-c2ccccn2)c1	ZINC000160786369	775468949	/nfs/dbraw/zinc/46/89/49/775468949.db2.gz	HOZZIKBKKSMRMD-UHFFFAOYSA-N	1	0	353.470	1.746	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)C3CCN(C(=O)CCC)CC3)[C@H]2C1	ZINC001083281896	790385718	/nfs/dbraw/zinc/38/57/18/790385718.db2.gz	GVOIOLJQLWGSLK-ZWKOTPCHSA-N	1	0	363.502	1.513	20	30		FDEDRO
Cc1ccc(F)c(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)c1	ZINC001104726840	790402797	/nfs/dbraw/zinc/40/27/97/790402797.db2.gz	OMPVDESGGZQKSN-HUUCEWRRSA-N	1	0	360.433	1.462	20	30		FDEDRO
C[C@H](NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccc(C#N)cc1	ZINC000891370043	775939234	/nfs/dbraw/zinc/93/92/34/775939234.db2.gz	INPKLHDSECMLHB-SJWGOKEGSA-N	1	0	369.425	1.196	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2COCCN2C)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087152893	776181749	/nfs/dbraw/zinc/18/17/49/776181749.db2.gz	UONBYCBSRHNBDV-UXPWSPDFSA-N	1	0	370.497	1.606	20	30		FDEDRO
Cc1cocc1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC#N)C1	ZINC001211648557	790436162	/nfs/dbraw/zinc/43/61/62/790436162.db2.gz	FATYIRBUWSIIFR-FUHWJXTLSA-N	1	0	366.421	1.426	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc3c[nH]ccc-3n2)C[C@H]1C	ZINC001104352104	776603053	/nfs/dbraw/zinc/60/30/53/776603053.db2.gz	CCMLOFCGNUQNCP-HUUCEWRRSA-N	1	0	369.469	1.553	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]21	ZINC001021939816	776752560	/nfs/dbraw/zinc/75/25/60/776752560.db2.gz	RTJFWHVTDQRLHY-JENIJYKNSA-N	1	0	370.497	1.689	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)C[N@@H+](C)C4CCC4)[C@@H]3C2)cc1	ZINC001021940881	776753674	/nfs/dbraw/zinc/75/36/74/776753674.db2.gz	ANWSXIAOZQHIOP-AZUAARDMSA-N	1	0	365.477	1.825	20	30		FDEDRO
COCCNS(=O)(=O)c1ccc(C[NH2+]CC#Cc2ccccc2)cc1	ZINC000892711338	790482377	/nfs/dbraw/zinc/48/23/77/790482377.db2.gz	IPCQVOHQLUPWED-UHFFFAOYSA-N	1	0	358.463	1.753	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2CCC2)C[C@H]1c1ccccc1	ZINC001211515229	776971439	/nfs/dbraw/zinc/97/14/39/776971439.db2.gz	OXXYNWUSLBYECM-AYOQOUSVSA-N	1	0	353.466	1.509	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccccn2)C[C@H]1c1ccccc1	ZINC001211515300	776975572	/nfs/dbraw/zinc/97/55/72/776975572.db2.gz	PFQAYZXLRHKZLJ-PKOBYXMFSA-N	1	0	364.449	1.582	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2[nH]c(C)cc2C)C[C@H]1C	ZINC001104355895	776985079	/nfs/dbraw/zinc/98/50/79/776985079.db2.gz	RWQBAMKOKSRAGM-DJIMGWMZSA-N	1	0	358.486	1.457	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2cn(C)nn2)C1	ZINC001075421135	777057097	/nfs/dbraw/zinc/05/70/97/777057097.db2.gz	NCMOLWMMVZZOQS-SJLPKXTDSA-N	1	0	369.444	1.813	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H]2COC(=O)N2)C1	ZINC001075421140	777057263	/nfs/dbraw/zinc/05/72/63/777057263.db2.gz	NEXXYPQOCDEQDI-OIISXLGYSA-N	1	0	359.401	1.089	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2ccccc2)C[C@H]1C	ZINC001104358796	777083735	/nfs/dbraw/zinc/08/37/35/777083735.db2.gz	OUCSCNKAHQRSNX-ZIFCJYIRSA-N	1	0	357.498	1.994	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCS(=O)(=O)CC2)C1	ZINC001022099898	777919065	/nfs/dbraw/zinc/91/90/65/777919065.db2.gz	UDVNALLRJZXUQR-TWMKSMIVSA-N	1	0	370.515	1.029	20	30		FDEDRO
Cc1nnc(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2ccccc2C#N)[nH]1	ZINC001087163872	778090622	/nfs/dbraw/zinc/09/06/22/778090622.db2.gz	UYZDJRPBBNACJN-KDOFPFPSSA-N	1	0	366.469	1.944	20	30		FDEDRO
COc1ccc(C[C@](C)(CO)[NH2+]C[C@H](O)COc2ccc(C#N)cc2)cc1	ZINC000933424979	778101479	/nfs/dbraw/zinc/10/14/79/778101479.db2.gz	VZBOOTXMIAIEBR-GHTZIAJQSA-N	1	0	370.449	1.890	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH+]1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2	ZINC000933459382	778184006	/nfs/dbraw/zinc/18/40/06/778184006.db2.gz	DHRKLZZQXXOEDR-HNNXBMFYSA-N	1	0	365.474	1.226	20	30		FDEDRO
C#CCN(C(=O)NC[C@@H]1CC[C@]2(CO[C@H](C)[C@@H]2C)O1)C1CC[NH+](C)CC1	ZINC000924051902	778323034	/nfs/dbraw/zinc/32/30/34/778323034.db2.gz	MTLOHAQHSHVRDY-WBQJQJEBSA-N	1	0	363.502	1.698	20	30		FDEDRO
CC[NH+]1CCN(CCCNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1	ZINC000471752471	778372577	/nfs/dbraw/zinc/37/25/77/778372577.db2.gz	YWOZJEUVVDKEAE-LJQANCHMSA-N	1	0	353.470	1.384	20	30		FDEDRO
N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC2CCCC2)C[C@H]1c1ccccc1	ZINC001211519520	778403588	/nfs/dbraw/zinc/40/35/88/778403588.db2.gz	VMZMZBOADZXXFD-RBUKOAKNSA-N	1	0	368.481	1.791	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1	ZINC001022196627	778545507	/nfs/dbraw/zinc/54/55/07/778545507.db2.gz	YUKLFMUECOOIPE-NLWGTHIKSA-N	1	0	355.482	1.334	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)/C=C/C4CC4)[C@@H]3C2)CC1	ZINC000971676987	778613355	/nfs/dbraw/zinc/61/33/55/778613355.db2.gz	WEOOLHFAGXOBIF-ASIGSXEYSA-N	1	0	355.482	1.357	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)N1CCC(OC)CC1)C(C)C	ZINC000656964096	778711062	/nfs/dbraw/zinc/71/10/62/778711062.db2.gz	CEIJDYAOJZWDJV-KRWDZBQOSA-N	1	0	359.536	1.630	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)CC[N@@H+]1C	ZINC000971707860	778770739	/nfs/dbraw/zinc/77/07/39/778770739.db2.gz	OTRZQYXBTOAXOZ-KMANFZQXSA-N	1	0	369.469	1.290	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]CC[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1C	ZINC001104379992	779169796	/nfs/dbraw/zinc/16/97/96/779169796.db2.gz	WQSNJTLLVKDCCN-UKRRQHHQSA-N	1	0	368.441	1.573	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc2c(c1)nnn2C	ZINC001111490059	779240527	/nfs/dbraw/zinc/24/05/27/779240527.db2.gz	SLWLGSURAPIROW-PSLQGDIJSA-N	1	0	369.469	1.781	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@](O)(C[NH+]2CCC3(CC2)CC(=O)C=CO3)C1	ZINC000933645474	779257809	/nfs/dbraw/zinc/25/78/09/779257809.db2.gz	QTGUBWCUKYRXMT-GOSISDBHSA-N	1	0	366.458	1.696	20	30		FDEDRO
N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2C=CCC2)C[C@H]1c1ccccc1	ZINC001211524537	779320611	/nfs/dbraw/zinc/32/06/11/779320611.db2.gz	PDMCTMWZWVVWAL-YTQUADARSA-N	1	0	366.465	1.567	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087172790	779350043	/nfs/dbraw/zinc/35/00/43/779350043.db2.gz	SGEAKDONSQHGIZ-LZQZEXGQSA-N	1	0	368.481	1.753	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C)C2)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087172791	779350276	/nfs/dbraw/zinc/35/02/76/779350276.db2.gz	SGEAKDONSQHGIZ-MNEFBYGVSA-N	1	0	368.481	1.753	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C[C@@H]2CCNC2=O)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087174281	779415913	/nfs/dbraw/zinc/41/59/13/779415913.db2.gz	LTVMILHEGVVTBG-MNEFBYGVSA-N	1	0	368.481	1.801	20	30		FDEDRO
O=C(NCC#C[C@H]1CCCCO1)NC1CC[NH+](Cc2ccccn2)CC1	ZINC000891806123	779514137	/nfs/dbraw/zinc/51/41/37/779514137.db2.gz	WBPJSPHWFQLKTA-LJQANCHMSA-N	1	0	356.470	1.918	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CCN(C(=O)Nc3cccc(C)c3)CC2)[N@H+](C)C1	ZINC000328980924	779659831	/nfs/dbraw/zinc/65/98/31/779659831.db2.gz	XYMFBRAXSIFYJE-IRXDYDNUSA-N	1	0	360.458	1.404	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1	ZINC000971851423	779987928	/nfs/dbraw/zinc/98/79/28/779987928.db2.gz	POLNKYSFZRYDBU-FHLIZLRMSA-N	1	0	369.469	1.434	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)[C@H]4CCC4(C)C)[C@@H]3C2)CC1	ZINC001022441839	780211800	/nfs/dbraw/zinc/21/18/00/780211800.db2.gz	ABDMZDGPRFMHDV-IPMKNSEASA-N	1	0	371.525	1.827	20	30		FDEDRO
C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ncnn1C	ZINC000276985899	780586396	/nfs/dbraw/zinc/58/63/96/780586396.db2.gz	VLCJBUAUOPCWFX-HNNXBMFYSA-N	1	0	367.457	1.665	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc3cnccc3o2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104389343	780637597	/nfs/dbraw/zinc/63/75/97/780637597.db2.gz	VXSOEBDBIBCGDX-ZIAGYGMSSA-N	1	0	369.425	1.155	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc3cnccc3o2)C[C@H]1C	ZINC001104389030	780653044	/nfs/dbraw/zinc/65/30/44/780653044.db2.gz	DLMFAGMCFOYOJD-HUUCEWRRSA-N	1	0	368.437	1.265	20	30		FDEDRO
C[NH+](C)CCOc1ccc(NC(=O)CNc2ccc(C#N)cn2)cc1F	ZINC000458282288	780863336	/nfs/dbraw/zinc/86/33/36/780863336.db2.gz	HXHPMRZHJGLGAP-UHFFFAOYSA-N	1	0	357.389	2.083	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1c1ccccc1	ZINC001211532229	780895792	/nfs/dbraw/zinc/89/57/92/780895792.db2.gz	MNPJJEMEHQDFBT-RBUKOAKNSA-N	1	0	369.469	1.455	20	30		FDEDRO
Cc1noc(C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c2ccccc2)n1	ZINC000277154845	780905480	/nfs/dbraw/zinc/90/54/80/780905480.db2.gz	JWJVBNODGHBARA-KRWDZBQOSA-N	1	0	366.425	1.907	20	30		FDEDRO
O=C([C@H]1CCNC1=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#Cc2ccccc2)C1	ZINC001112508395	781003763	/nfs/dbraw/zinc/00/37/63/781003763.db2.gz	DAFXJKCMQKOIGZ-IPJJNNNSSA-N	1	0	365.477	1.393	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]21	ZINC001022570007	781203957	/nfs/dbraw/zinc/20/39/57/781203957.db2.gz	SNHWHBNULJBOHT-QILLFSRXSA-N	1	0	354.454	1.581	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)SC)C[C@H]1c1ccccc1	ZINC001211535541	781291473	/nfs/dbraw/zinc/29/14/73/781291473.db2.gz	HGNQEDYMHBMRND-BHYGNILZSA-N	1	0	361.511	1.624	20	30		FDEDRO
C=C1CCC(C(=O)N2CC[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)CC1	ZINC001022604263	781503805	/nfs/dbraw/zinc/50/38/05/781503805.db2.gz	SGZGCFMSDHFJEC-ZWKOTPCHSA-N	1	0	357.498	1.888	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+][C@@H]2CCN(C)C2=O)cc1	ZINC001087197625	781841233	/nfs/dbraw/zinc/84/12/33/781841233.db2.gz	YQPVRTDZPNMIDC-AYOQOUSVSA-N	1	0	353.466	1.729	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1	ZINC000118112895	781899058	/nfs/dbraw/zinc/89/90/58/781899058.db2.gz	VFZRHCOWDXYTKS-INIZCTEOSA-N	1	0	357.454	1.874	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000376998566	790929963	/nfs/dbraw/zinc/92/99/63/790929963.db2.gz	UGHKXEXFLMVERR-GOSISDBHSA-N	1	0	356.470	1.897	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)c1	ZINC000892287589	783463435	/nfs/dbraw/zinc/46/34/35/783463435.db2.gz	QEHGBKQEUKQJKG-OAHLLOKOSA-N	1	0	363.421	1.938	20	30		FDEDRO
C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)Nc1cc(F)cc(C#N)c1	ZINC000892291061	783534983	/nfs/dbraw/zinc/53/49/83/783534983.db2.gz	WDSWWCLUMZIVEP-ZDUSSCGKSA-N	1	0	367.384	1.768	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C3(C)CC=CC3)C[C@H]21	ZINC000972835519	783904126	/nfs/dbraw/zinc/90/41/26/783904126.db2.gz	XQULKANUCSIMGM-FGTMMUONSA-N	1	0	355.482	1.500	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001024157420	784065753	/nfs/dbraw/zinc/06/57/53/784065753.db2.gz	ATZCQURMASCJBU-QRVBRYPASA-N	1	0	368.481	1.611	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ncnn2CCF)C1	ZINC001024164426	784153537	/nfs/dbraw/zinc/15/35/37/784153537.db2.gz	CBPJGJOLJYGGLY-XHSDSOJGSA-N	1	0	365.453	1.167	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1	ZINC000658571473	784386186	/nfs/dbraw/zinc/38/61/86/784386186.db2.gz	QGJRPJKTYHQURL-KRWDZBQOSA-N	1	0	363.502	1.372	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(c3nc(C#N)c(Cl)s3)C2)CC[N@@H+]1C	ZINC001058579964	784796467	/nfs/dbraw/zinc/79/64/67/784796467.db2.gz	BHDLNKJNRWBOSW-GMTAPVOTSA-N	1	0	353.879	1.703	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCCC(=O)N2)C[C@H]1c1ccccc1	ZINC001211631565	784817234	/nfs/dbraw/zinc/81/72/34/784817234.db2.gz	HBGGXXKXSRJNCB-CEXWTWQISA-N	1	0	353.466	1.653	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN(C(C)=O)C2)C[C@H]1c1ccccc1	ZINC001211631913	784927772	/nfs/dbraw/zinc/92/77/72/784927772.db2.gz	VRZPTHPCZJJCOL-QHAWAJNXSA-N	1	0	367.493	1.852	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c1	ZINC000364435332	785050246	/nfs/dbraw/zinc/05/02/46/785050246.db2.gz	SBXOEDSWWRVGJN-OAQYLSRUSA-N	1	0	360.417	1.770	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1	ZINC001024534882	785063976	/nfs/dbraw/zinc/06/39/76/785063976.db2.gz	QEAWUHHJFROVHQ-BRWVUGGUSA-N	1	0	363.502	1.151	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4cccs4)[C@@H]3C2)C1=O	ZINC001075494575	785156213	/nfs/dbraw/zinc/15/62/13/785156213.db2.gz	KZKONCDKVYKBFJ-BHYGNILZSA-N	1	0	359.495	1.610	20	30		FDEDRO
C[NH+]1CCC(C)(CNC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1	ZINC000365073800	785273099	/nfs/dbraw/zinc/27/30/99/785273099.db2.gz	TXMUFGBXZSBQJZ-GOSISDBHSA-N	1	0	368.481	1.897	20	30		FDEDRO
C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	ZINC001024571603	785295659	/nfs/dbraw/zinc/29/56/59/785295659.db2.gz	HPEHUQWDOMETMB-KSZLIROESA-N	1	0	351.491	1.023	20	30		FDEDRO
C[NH+](C)CCNC(=O)Cn1cc(NC(=O)/C=C\c2ccccc2C#N)cn1	ZINC000255866537	785324372	/nfs/dbraw/zinc/32/43/72/785324372.db2.gz	TZNYWCSFHPWFBX-FPLPWBNLSA-N	1	0	366.425	1.084	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)n1	ZINC000892768856	791133512	/nfs/dbraw/zinc/13/35/12/791133512.db2.gz	VNYFBHDNVVCKOJ-QGZVFWFLSA-N	1	0	359.474	1.207	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(-c4ccccc4)n3)[C@H]2C1	ZINC001083271106	785704352	/nfs/dbraw/zinc/70/43/52/785704352.db2.gz	QBOHFSAGGSJDPC-ZWKOTPCHSA-N	1	0	353.426	1.369	20	30		FDEDRO
NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCC#Cc2cccc(F)c2)C1	ZINC000511419450	786667144	/nfs/dbraw/zinc/66/71/44/786667144.db2.gz	BKZHXSXXYDBUAW-INIZCTEOSA-N	1	0	360.433	1.064	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001024989752	787074022	/nfs/dbraw/zinc/07/40/22/787074022.db2.gz	ZOQKQRVSULLOKT-VBQJREDUSA-N	1	0	363.483	1.894	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCOC)C2)nn1	ZINC001211684048	805797132	/nfs/dbraw/zinc/79/71/32/805797132.db2.gz	KHCKCQVVLKMJED-DLBZAZTESA-N	1	0	355.442	1.308	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(Cc3nnc(CC)o3)C[C@H]21	ZINC000978826438	805801649	/nfs/dbraw/zinc/80/16/49/805801649.db2.gz	GIFUGRPPYUZVIW-IBTNMTNLSA-N	1	0	360.458	1.407	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](O)COCCOC)C1	ZINC001104553319	787760153	/nfs/dbraw/zinc/76/01/53/787760153.db2.gz	XPPSERCNYWPIIZ-QRVBRYPASA-N	1	0	368.518	1.278	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC(=C)C)NC(C)=O)C[C@H]1c1ccccc1	ZINC001211684343	805824877	/nfs/dbraw/zinc/82/48/77/805824877.db2.gz	SQGDZKWQMSCUGL-XUVXKRRUSA-N	1	0	353.466	1.675	20	30		FDEDRO
N#Cc1ccc(S(N)(=O)=O)cc1NCC1CCN(c2cc[nH+]cc2)CC1	ZINC000376446085	787831534	/nfs/dbraw/zinc/83/15/34/787831534.db2.gz	DXOGCEPYDVWVPH-UHFFFAOYSA-N	1	0	371.466	1.929	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]1c1ccccc1	ZINC001211684441	805826928	/nfs/dbraw/zinc/82/69/28/805826928.db2.gz	YMNDHUIKVZWRLM-DLBZAZTESA-N	1	0	362.495	1.417	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1	ZINC000978853091	805831613	/nfs/dbraw/zinc/83/16/13/805831613.db2.gz	QCCNEIVQYVCHPQ-ADHGMGHFSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000659345028	788514077	/nfs/dbraw/zinc/51/40/77/788514077.db2.gz	RLFCBDGGSMESPR-KRWDZBQOSA-N	1	0	350.507	1.038	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1	ZINC000973304509	788523168	/nfs/dbraw/zinc/52/31/68/788523168.db2.gz	IOSYXEBFQHVDJI-VQHPVUNQSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1	ZINC000973312157	788548350	/nfs/dbraw/zinc/54/83/50/788548350.db2.gz	QXXBTNWMRYGKHN-DZVNLGKHSA-N	1	0	361.486	1.073	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1	ZINC000978903490	805890308	/nfs/dbraw/zinc/89/03/08/805890308.db2.gz	AVJDLLCDPKXBKO-ILOCAZANSA-N	1	0	363.502	1.463	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000978905103	805892201	/nfs/dbraw/zinc/89/22/01/805892201.db2.gz	KMGIWHRVARLTAN-KLIQENQMSA-N	1	0	357.498	1.389	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3nncn3C2)C1	ZINC001112001428	788704041	/nfs/dbraw/zinc/70/40/41/788704041.db2.gz	XEGABJMPKUDISM-BXWFABGCSA-N	1	0	359.474	1.014	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)Cc2ccc(OC)cn2)C[C@H]1C	ZINC001104584257	788716434	/nfs/dbraw/zinc/71/64/34/788716434.db2.gz	ZBBICJLAQBXHOL-IAGOWNOFSA-N	1	0	361.486	1.910	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc[nH]c2C2CC2)C[C@H]1C	ZINC001104593696	788781660	/nfs/dbraw/zinc/78/16/60/788781660.db2.gz	GZOSQGYZEGGOEW-GDBMZVCRSA-N	1	0	358.486	1.882	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc(F)c2F)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104597945	788796556	/nfs/dbraw/zinc/79/65/56/788796556.db2.gz	NLXZEEPRJOSIHZ-CHWSQXEVSA-N	1	0	364.396	1.292	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNS(=O)(=O)CC)C1	ZINC001104606843	788847884	/nfs/dbraw/zinc/84/78/84/788847884.db2.gz	FMEPQVDVNUUXLU-HZPDHXFCSA-N	1	0	359.536	1.356	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2occc2C[NH+](C)C)C1	ZINC001025344813	788868054	/nfs/dbraw/zinc/86/80/54/788868054.db2.gz	ZWKLWJFQXTWOJH-SPYBWZPUSA-N	1	0	363.458	1.245	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2cccc(C)c2)C[C@H]1C	ZINC001104609354	788881550	/nfs/dbraw/zinc/88/15/50/788881550.db2.gz	LOFUMRYCDCIWMZ-IEBWSBKVSA-N	1	0	357.498	1.914	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1	ZINC001104614872	788904838	/nfs/dbraw/zinc/90/48/38/788904838.db2.gz	VNSJVFRUJCETSB-RHSMWYFYSA-N	1	0	354.454	1.398	20	30		FDEDRO
COC[C@H](OC)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccc(C#N)c2)C1	ZINC001104648484	789163024	/nfs/dbraw/zinc/16/30/24/789163024.db2.gz	NZEMMKCITUCQFV-LZQZEXGQSA-N	1	0	359.470	1.794	20	30		FDEDRO
CC[C@H](C#N)Oc1cc(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)ccc1OC	ZINC000376605026	789183523	/nfs/dbraw/zinc/18/35/23/789183523.db2.gz	ZLKPZZHDTFSGJU-IAGOWNOFSA-N	1	0	372.469	1.382	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2CC)C[C@H]1C	ZINC001104703311	789535678	/nfs/dbraw/zinc/53/56/78/789535678.db2.gz	SXJFOWCASGVORD-KLHDSHLOSA-N	1	0	364.490	1.119	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C[C@H]1CCNCC#N	ZINC001104705720	789555492	/nfs/dbraw/zinc/55/54/92/789555492.db2.gz	BEFRLQHZJIJMNO-AFYVEPGGSA-N	1	0	354.498	1.930	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C[C@H]1C	ZINC001104707486	789579231	/nfs/dbraw/zinc/57/92/31/789579231.db2.gz	HPKOSKRCOQZPSM-ZAWLATJESA-N	1	0	360.502	1.800	20	30		FDEDRO
N#Cc1ccc(S(N)(=O)=O)cc1NC1CC[NH+](Cc2ccccn2)CC1	ZINC000376634607	789586443	/nfs/dbraw/zinc/58/64/43/789586443.db2.gz	MXBWNYJWKMONBC-UHFFFAOYSA-N	1	0	371.466	1.677	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC23CCN(c2nccnc2C#N)CC3)CC[N@@H+]1C	ZINC001058655927	791709283	/nfs/dbraw/zinc/70/92/83/791709283.db2.gz	OPPQTQYNDJNAGR-USXIJHARSA-N	1	0	368.485	1.554	20	30		FDEDRO
C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C1	ZINC000415276063	791827005	/nfs/dbraw/zinc/82/70/05/791827005.db2.gz	CEAACDZMTJOFHG-CQSZACIVSA-N	1	0	358.442	1.742	20	30		FDEDRO
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)c1C	ZINC000415320368	791914598	/nfs/dbraw/zinc/91/45/98/791914598.db2.gz	VWEFGWLYIZXJJC-OAHLLOKOSA-N	1	0	366.425	1.168	20	30		FDEDRO
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)c1C	ZINC000415341716	791953936	/nfs/dbraw/zinc/95/39/36/791953936.db2.gz	PMXKJPWUOKYCLU-GFCCVEGCSA-N	1	0	366.425	1.120	20	30		FDEDRO
C[NH+]1CCC(n2ccc(N[C@@H]3CCN(c4ccc(C#N)cc4)C3=O)n2)CC1	ZINC000377503790	791985999	/nfs/dbraw/zinc/98/59/99/791985999.db2.gz	SXHCBDWWRQJKRD-GOSISDBHSA-N	1	0	364.453	2.239	20	30		FDEDRO
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)c1C	ZINC000415435931	792267685	/nfs/dbraw/zinc/26/76/85/792267685.db2.gz	NUSRWAINEHWVDH-LBPRGKRZSA-N	1	0	366.425	1.120	20	30		FDEDRO
C[C@@H]([NH3+])C1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1	ZINC000415444848	792278993	/nfs/dbraw/zinc/27/89/93/792278993.db2.gz	RQTFJPBVPLLNDS-GFCCVEGCSA-N	1	0	356.405	2.474	20	30		FDEDRO
C[C@H]1CN(Cc2cnc3ccc(C#N)cn23)CCN1C1CC[NH+](C)CC1	ZINC000377633590	792367541	/nfs/dbraw/zinc/36/75/41/792367541.db2.gz	VOANRCCRNQGZQC-INIZCTEOSA-N	1	0	352.486	1.806	20	30		FDEDRO
CCCN(C(=O)C(=O)Nc1cc(C#N)ccc1OCC)C1CC[NH2+]CC1	ZINC000415502832	792394700	/nfs/dbraw/zinc/39/47/00/792394700.db2.gz	QTDYZRZZKZTLPF-UHFFFAOYSA-N	1	0	358.442	1.886	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1	ZINC000415531477	792457018	/nfs/dbraw/zinc/45/70/18/792457018.db2.gz	YRSGXQRTZBLIFE-OAHLLOKOSA-N	1	0	356.426	1.496	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1	ZINC000415580633	792596632	/nfs/dbraw/zinc/59/66/32/792596632.db2.gz	MDBDWVOJIUVDAJ-LJQANCHMSA-N	1	0	358.442	1.790	20	30		FDEDRO
N#Cc1cc(NC(=O)NCCCN2CC[NH2+]CC2)ccc1OC(F)(F)F	ZINC000415651072	792758056	/nfs/dbraw/zinc/75/80/56/792758056.db2.gz	ALFKLWGYNLIMDO-UHFFFAOYSA-N	1	0	371.363	1.874	20	30		FDEDRO
C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000415679872	792804956	/nfs/dbraw/zinc/80/49/56/792804956.db2.gz	PKKYOHKUINGXPP-CABZTGNLSA-N	1	0	370.331	1.652	20	30		FDEDRO
CN(C[C@H](O)C[NH3+])C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1	ZINC000415691941	792821839	/nfs/dbraw/zinc/82/18/39/792821839.db2.gz	GPSGXXDAILRYQM-OAHLLOKOSA-N	1	0	370.457	1.825	20	30		FDEDRO
CCCCCCCCOCC(=O)N1CCO[C@@H](CN2CC[NH+](C)CC2)C1	ZINC000377860718	792952700	/nfs/dbraw/zinc/95/27/00/792952700.db2.gz	LIAJADULJVFLNG-IBGZPJMESA-N	1	0	369.550	1.838	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCc4ccco4)[C@@H]3C2)C1=O	ZINC001075540887	793112823	/nfs/dbraw/zinc/11/28/23/793112823.db2.gz	VHEIQKJGKUDWNL-RYQLBKOJSA-N	1	0	357.454	1.532	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(C)=O)C[C@H]1c1cccc(F)c1	ZINC001026081982	793185002	/nfs/dbraw/zinc/18/50/02/793185002.db2.gz	NFZHHKLOVGVRIL-OTWHNJEPSA-N	1	0	357.429	1.354	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1	ZINC000415856062	793189114	/nfs/dbraw/zinc/18/91/14/793189114.db2.gz	ZHECBEWLCAIIBW-DZGCQCFKSA-N	1	0	358.442	1.727	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1	ZINC000415870413	793263537	/nfs/dbraw/zinc/26/35/37/793263537.db2.gz	MTQHRCRJKRAFEL-HRCADAONSA-N	1	0	370.453	1.788	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1C(F)(F)F	ZINC000415885257	793270401	/nfs/dbraw/zinc/27/04/01/793270401.db2.gz	FHKWTSBFXYAMCQ-RYUDHWBXSA-N	1	0	366.343	1.583	20	30		FDEDRO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1	ZINC000415897769	793342068	/nfs/dbraw/zinc/34/20/68/793342068.db2.gz	SHJAYDBIYKRYKQ-QLFBSQMISA-N	1	0	372.494	1.945	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC)C2)cc1	ZINC001104767799	793550274	/nfs/dbraw/zinc/55/02/74/793550274.db2.gz	DCNOAJHLDSPOEN-SOLBZPMBSA-N	1	0	371.481	1.521	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ccns3)C2)nn1	ZINC001104769321	793555913	/nfs/dbraw/zinc/55/59/13/793555913.db2.gz	PKDBQZDVKPNMSU-ZIAGYGMSSA-N	1	0	360.487	1.809	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]C[C@@H](CC)OC)C2)nn1	ZINC001104777492	793599628	/nfs/dbraw/zinc/59/96/28/793599628.db2.gz	MWHRGMYAMGEEHK-BRWVUGGUSA-N	1	0	363.506	1.967	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2nc(CC)oc2C)C[C@H]1C	ZINC001104782818	793634439	/nfs/dbraw/zinc/63/44/39/793634439.db2.gz	VMAGNYNORYSZFH-UKRRQHHQSA-N	1	0	362.474	1.535	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1	ZINC001104785985	793653568	/nfs/dbraw/zinc/65/35/68/793653568.db2.gz	LOFDXNQMWNXYNQ-LZQZEXGQSA-N	1	0	368.481	1.801	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cncc(Cl)c2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104792327	793696393	/nfs/dbraw/zinc/69/63/93/793696393.db2.gz	PUDKYUKGTLYWJN-CHWSQXEVSA-N	1	0	363.849	1.063	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1CC[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001104810421	793816571	/nfs/dbraw/zinc/81/65/71/793816571.db2.gz	QNVDZOGJWHLFNK-TZMCWYRMSA-N	1	0	356.405	1.703	20	30		FDEDRO
CC#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2COCCN2C)C1	ZINC001087425672	806280676	/nfs/dbraw/zinc/28/06/76/806280676.db2.gz	LRFDDDCFVPNGOY-VAMGGRTRSA-N	1	0	355.482	1.315	20	30		FDEDRO
N#Cc1cccc([C@H]2CN(C(=O)NCCCC[NH+]3CCOCC3)CCO2)c1	ZINC000378319336	793940381	/nfs/dbraw/zinc/94/03/81/793940381.db2.gz	ZFGOQAVCBYCESC-LJQANCHMSA-N	1	0	372.469	1.754	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCCc2cccnc2)C[C@H]1C	ZINC001104846863	794046138	/nfs/dbraw/zinc/04/61/38/794046138.db2.gz	MIMOEOVCUBBPDI-IEBWSBKVSA-N	1	0	370.497	1.228	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)C[C@H]1C	ZINC001104852526	794077245	/nfs/dbraw/zinc/07/72/45/794077245.db2.gz	SJFQFDXMWLZXAW-IXDOHACOSA-N	1	0	359.474	1.026	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2c[nH]cc2C2CC2)C[C@H]1C	ZINC001104853708	794080816	/nfs/dbraw/zinc/08/08/16/794080816.db2.gz	IKPNSIBDEZCQQE-BFYDXBDKSA-N	1	0	370.497	1.718	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(F)CCCCC2)C[C@H]1C	ZINC001104871483	794145333	/nfs/dbraw/zinc/14/53/33/794145333.db2.gz	IQGYRNXRRPQYTN-IXDOHACOSA-N	1	0	365.493	1.871	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)C[C@H]1C	ZINC001104871275	794154842	/nfs/dbraw/zinc/15/48/42/794154842.db2.gz	DRHBDXHOXWYRRS-DGCLKSJQSA-N	1	0	370.881	1.144	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)[C@H]2C1	ZINC000378449811	794160228	/nfs/dbraw/zinc/16/02/28/794160228.db2.gz	GNPALCASOZRPDB-WBVHZDCISA-N	1	0	370.453	1.837	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)NC(C)=O)C[C@H]1c1ccccc1	ZINC001211690480	806305231	/nfs/dbraw/zinc/30/52/31/806305231.db2.gz	BJINXJLLRKBDHE-RBUKOAKNSA-N	1	0	371.481	1.135	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C1	ZINC001104893312	794243975	/nfs/dbraw/zinc/24/39/75/794243975.db2.gz	URNTZLXXNBFKKO-QZTJIDSGSA-N	1	0	371.481	1.984	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)c2cccnc2)C[C@H]1C	ZINC001104920856	794391708	/nfs/dbraw/zinc/39/17/08/794391708.db2.gz	YWAOKQKKYIAOKF-SOLBZPMBSA-N	1	0	358.486	1.562	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)COC)C1	ZINC001104921379	794402278	/nfs/dbraw/zinc/40/22/78/794402278.db2.gz	AJAGIHORTBBNDG-BRWVUGGUSA-N	1	0	359.470	1.816	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCC)C2)nc1	ZINC001104923894	794419836	/nfs/dbraw/zinc/41/98/36/794419836.db2.gz	BVQDCZJOHTYXNY-NVXWUHKLSA-N	1	0	356.470	1.277	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCN3CCCC3=O)C2)nc1	ZINC001104924682	794422644	/nfs/dbraw/zinc/42/26/44/794422644.db2.gz	QMVCNEAEQLGLQZ-SJLPKXTDSA-N	1	0	368.481	1.373	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC3CC3)C2)nc1	ZINC001104924982	794423760	/nfs/dbraw/zinc/42/37/60/794423760.db2.gz	VZQQSRIEUKMPGI-CRAIPNDOSA-N	1	0	368.481	1.277	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCC2CC2)C[C@H]1C(F)(F)F	ZINC001112064368	794427177	/nfs/dbraw/zinc/42/71/77/794427177.db2.gz	AJUQMZSSBFKJDS-BPLDGKMQSA-N	1	0	364.408	1.983	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@H](C)n2cccc2)C[C@H]1C	ZINC001104927276	794427999	/nfs/dbraw/zinc/42/79/99/794427999.db2.gz	ZYRYIKNZADLPNQ-FGTMMUONSA-N	1	0	360.502	1.816	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnn(C)n3)C2)cn1	ZINC001104927634	794435618	/nfs/dbraw/zinc/43/56/18/794435618.db2.gz	NLQXKJQAERVGIC-GDBMZVCRSA-N	1	0	352.442	1.079	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CCCCOC)C[C@H]1C(F)(F)F	ZINC001112065614	794510559	/nfs/dbraw/zinc/51/05/59/794510559.db2.gz	IWSJUUBZHOOQDL-ZIAGYGMSSA-N	1	0	350.381	1.432	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2Cc3cccnc3C2)C[C@H]1C	ZINC001104957616	794566665	/nfs/dbraw/zinc/56/66/65/794566665.db2.gz	JUKUKPHEFLMWNO-KBAYOESNSA-N	1	0	370.497	1.173	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C3CC3)cn2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104965486	794614426	/nfs/dbraw/zinc/61/44/26/794614426.db2.gz	SESYYFSBVDBKFV-RHSMWYFYSA-N	1	0	369.469	1.287	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H](OC)C2CCC2)C1	ZINC001112068718	794701376	/nfs/dbraw/zinc/70/13/76/794701376.db2.gz	MXNUFATYDQTQHV-RBSFLKMASA-N	1	0	364.408	1.983	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)Cc2ccccc2OC)C[C@H]1C	ZINC001104983420	794726123	/nfs/dbraw/zinc/72/61/23/794726123.db2.gz	GKUUNXAXCFECQV-IEBWSBKVSA-N	1	0	358.482	1.962	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(-n3cnnn3)cc2)C[C@H]1C	ZINC001104985408	794736987	/nfs/dbraw/zinc/73/69/87/794736987.db2.gz	WZHLGJOGQUKMPG-NVXWUHKLSA-N	1	0	352.442	1.373	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1CC[NH2+]Cc1ccc(C#N)s1	ZINC001104989970	794739481	/nfs/dbraw/zinc/73/94/81/794739481.db2.gz	BFRRHRXWFULEAN-CHWSQXEVSA-N	1	0	363.487	1.252	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CN(C)c3ccnc(C#N)n3)C2)CC[N@@H+]1C	ZINC001058708310	794761075	/nfs/dbraw/zinc/76/10/75/794761075.db2.gz	HZLQTPKOCGHXGI-OWCLPIDISA-N	1	0	356.474	1.363	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CCCN2C(=O)CNC2=O)C[C@H]1C	ZINC001104994451	794766315	/nfs/dbraw/zinc/76/63/15/794766315.db2.gz	QEIZVTKCAAUTKU-HZPDHXFCSA-N	1	0	364.490	1.359	20	30		FDEDRO
C[C@H]1CN(C(=O)Nc2ncccc2OCCCC#N)[C@@H](C)CN1CCO	ZINC000416987665	794867698	/nfs/dbraw/zinc/86/76/98/794867698.db2.gz	BRGCSUIYSAPZSM-GJZGRUSLSA-N	1	0	361.446	1.683	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2ccc(C)nc2)C[C@H]1C	ZINC001105017290	794935777	/nfs/dbraw/zinc/93/57/77/794935777.db2.gz	YWFPHSUIKNWODX-CRAIPNDOSA-N	1	0	358.486	1.309	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCOC2)C[C@H]1C(F)(F)F	ZINC001112074349	795046315	/nfs/dbraw/zinc/04/63/15/795046315.db2.gz	CGSZEFXSNNZUQL-MGPQQGTHSA-N	1	0	350.381	1.595	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1CC[NH2+]CCOCCO	ZINC001105045543	795047789	/nfs/dbraw/zinc/04/77/89/795047789.db2.gz	VQVJTBCJKOKCJH-UYAOXDASSA-N	1	0	358.482	1.511	20	30		FDEDRO
CCN(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C	ZINC001105045066	795052465	/nfs/dbraw/zinc/05/24/65/795052465.db2.gz	MJAINSDBUCCLGT-UYAOXDASSA-N	1	0	369.509	1.981	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)OCCOCC)C[C@H]1C	ZINC001105058823	795091476	/nfs/dbraw/zinc/09/14/76/795091476.db2.gz	ZTOBNDFKXLMVGU-KZNAEPCWSA-N	1	0	356.507	1.705	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cc(C(N)=O)cs2)C[C@H]1C	ZINC001105071347	795155813	/nfs/dbraw/zinc/15/58/13/795155813.db2.gz	SOBFNZWWKLWLCW-ZIAGYGMSSA-N	1	0	365.499	1.737	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccnc(OC)n2)C1	ZINC001105085313	795200264	/nfs/dbraw/zinc/20/02/64/795200264.db2.gz	KQIKGPBMPRMXHO-HZPDHXFCSA-N	1	0	362.474	1.652	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC2CCCC2)C1	ZINC001105089887	795232483	/nfs/dbraw/zinc/23/24/83/795232483.db2.gz	ACJUOLUBXKCOEA-BRWVUGGUSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCc2nc(C)no2)C1	ZINC001105090314	795233949	/nfs/dbraw/zinc/23/39/49/795233949.db2.gz	QGYITUMFNGAFOH-NVXWUHKLSA-N	1	0	364.490	1.978	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N[C@@H](C)C2CC2)C1	ZINC001105090567	795235887	/nfs/dbraw/zinc/23/58/87/795235887.db2.gz	ZYGHYDICVKFVBJ-SOLBZPMBSA-N	1	0	365.518	1.568	20	30		FDEDRO
N#Cc1ccccc1OC1CCC(NC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)CC1	ZINC000417593122	795313851	/nfs/dbraw/zinc/31/38/51/795313851.db2.gz	FPYORCMWPKHECW-OTBWCIGPSA-N	1	0	358.442	1.128	20	30		FDEDRO
Cc1nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)ccc1C#N	ZINC001058813587	806413074	/nfs/dbraw/zinc/41/30/74/806413074.db2.gz	QSGASOBMELXUNB-YYIAUSFCSA-N	1	0	362.437	1.968	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3CCC[C@@H]([NH3+])C3)C2=O)cc1	ZINC000417991362	795446826	/nfs/dbraw/zinc/44/68/26/795446826.db2.gz	KKWAEHOWURUJBW-VYDXJSESSA-N	1	0	355.442	1.623	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000418017539	795457678	/nfs/dbraw/zinc/45/76/78/795457678.db2.gz	YJCVUIXGPKMSHD-JCGIZDLHSA-N	1	0	369.469	1.965	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@H]1c1ccccc1	ZINC001211655117	795503058	/nfs/dbraw/zinc/50/30/58/795503058.db2.gz	BHKHHBWWMZTZJD-MFKWGIFDSA-N	1	0	367.493	1.919	20	30		FDEDRO
CN(CC(C)(C)C[NH3+])C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000418077023	795513304	/nfs/dbraw/zinc/51/33/04/795513304.db2.gz	KVXJRCDAQLZUIB-INIZCTEOSA-N	1	0	357.458	1.285	20	30		FDEDRO
C=CCN(C(=O)N[C@H](C)C(=O)N(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000364281210	795590191	/nfs/dbraw/zinc/59/01/91/795590191.db2.gz	UAAWQCSVEXYSHO-AEFFLSMTSA-N	1	0	358.486	1.935	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)sn2)C[C@H]1C(F)(F)F	ZINC001112092920	795746829	/nfs/dbraw/zinc/74/68/29/795746829.db2.gz	SPYMNTGHVXVZAQ-DGCLKSJQSA-N	1	0	361.389	1.694	20	30		FDEDRO
N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)NC[C@H]1CCC[NH2+]1	ZINC000418358418	795815691	/nfs/dbraw/zinc/81/56/91/795815691.db2.gz	DNIXXKZKVRNLTP-CQSZACIVSA-N	1	0	367.457	1.310	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H](Nc2nc(C)cc(C#N)n2)C(C)C)CC[N@@H+]1C	ZINC001105301776	795886561	/nfs/dbraw/zinc/88/65/61/795886561.db2.gz	WZKCRPGXYPQEKF-YESZJQIVSA-N	1	0	358.490	1.940	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)NC[C@H]([NH3+])c3ccccc3)CC2)c1	ZINC000418422777	795905990	/nfs/dbraw/zinc/90/59/90/795905990.db2.gz	DZZSLIWPMRWYEI-KRWDZBQOSA-N	1	0	350.426	1.485	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1	ZINC000418438880	795925286	/nfs/dbraw/zinc/92/52/86/795925286.db2.gz	ZNZAKKZLFSDMQQ-QGZVFWFLSA-N	1	0	350.426	1.485	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@@]2(C1)C(=O)Nc1ccccc12	ZINC000364432631	795981137	/nfs/dbraw/zinc/98/11/37/795981137.db2.gz	CQJRWJIRSBOHGX-IBGZPJMESA-N	1	0	351.410	1.238	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)nc1	ZINC000728860500	806569173	/nfs/dbraw/zinc/56/91/73/806569173.db2.gz	DWVKCQRABXZJBO-UHFFFAOYSA-N	1	0	370.497	1.619	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCC(C(=O)NCCCOC(C)C)CC2)CCC[NH2+]1	ZINC000662484291	806736129	/nfs/dbraw/zinc/73/61/29/806736129.db2.gz	UOLAJXBOLJDAQJ-FQEVSTJZSA-N	1	0	365.518	1.855	20	30		FDEDRO
C#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1	ZINC001087428279	806749505	/nfs/dbraw/zinc/74/95/05/806749505.db2.gz	WJMYCFGQDQFROM-NJDAHSKKSA-N	1	0	351.494	1.936	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@@H](C4CC4)[NH+](C)C)C[C@H]32)cn1	ZINC000974669140	800025271	/nfs/dbraw/zinc/02/52/71/800025271.db2.gz	HCXCYBOCWYDQAK-BHIYHBOVSA-N	1	0	366.465	1.076	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cn(CC3CC3)nn2)C1	ZINC001027075257	800887493	/nfs/dbraw/zinc/88/74/93/800887493.db2.gz	PHAVGYXPMVJDIP-NXHRZFHOSA-N	1	0	359.474	1.217	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cc(OC)no2)C1	ZINC001027113584	800977203	/nfs/dbraw/zinc/97/72/03/800977203.db2.gz	DZDVPCOFNIRHFX-HFTRVMKXSA-N	1	0	363.458	1.993	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H]3CN(C(=O)C[N@H+]4CCC[C@H]4C)[C@@H]3C2)c1	ZINC000975213214	801008402	/nfs/dbraw/zinc/00/84/02/801008402.db2.gz	PTAXXGVKZPEOJE-SZVBFZGTSA-N	1	0	366.465	1.220	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC#N)C1	ZINC001211662149	801141774	/nfs/dbraw/zinc/14/17/74/801141774.db2.gz	UIZMBJHHFNSBOP-ZWKOTPCHSA-N	1	0	354.454	1.567	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)CSC)C[C@@H]32)CC1	ZINC000975547224	801479930	/nfs/dbraw/zinc/47/99/30/801479930.db2.gz	WAGTUSLFTXRRTB-RDJZCZTQSA-N	1	0	363.527	1.144	20	30		FDEDRO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@]3(CNC(=O)C3)C2)cc1	ZINC000278878257	806919749	/nfs/dbraw/zinc/91/97/49/806919749.db2.gz	MURMFVXFGMOYHQ-JXFKEZNVSA-N	1	0	354.454	1.842	20	30		FDEDRO
C=CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CC1	ZINC000662669907	806943568	/nfs/dbraw/zinc/94/35/68/806943568.db2.gz	HCEQCLVLLMUEJL-SFHVURJKSA-N	1	0	370.497	1.125	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)c[nH]1	ZINC000975671550	801906285	/nfs/dbraw/zinc/90/62/85/801906285.db2.gz	YNWUKQOIJXYAQY-YOEHRIQHSA-N	1	0	367.453	1.045	20	30		FDEDRO
C[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]32)CC1	ZINC000975663528	801921988	/nfs/dbraw/zinc/92/19/88/801921988.db2.gz	BKPAXHFWBDGCSO-KSSFIOAISA-N	1	0	369.469	1.291	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@@H]32)cc1	ZINC000975719089	802123177	/nfs/dbraw/zinc/12/31/77/802123177.db2.gz	PTLFMXDJBOCNDF-SXLOBPIMSA-N	1	0	365.477	1.683	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000661119757	802748919	/nfs/dbraw/zinc/74/89/19/802748919.db2.gz	XMECVANPVKMCIO-CZUORRHYSA-N	1	0	351.472	1.997	20	30		FDEDRO
Cc1c(C(=O)N2CC[C@@H]3CCN(C(=O)[C@H](C)C#N)C[C@@H]32)ccc2c[nH+]cn21	ZINC000975960522	802751664	/nfs/dbraw/zinc/75/16/64/802751664.db2.gz	AZWLPAKYELUNCV-XUWXXGDYSA-N	1	0	365.437	1.865	20	30		FDEDRO
C=CCOc1ccccc1C(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1	ZINC000662744785	802992898	/nfs/dbraw/zinc/99/28/98/802992898.db2.gz	GNPZCOXGTSCBFN-UHFFFAOYSA-N	1	0	359.470	1.972	20	30		FDEDRO
C=CC[C@]1(C(=O)NC2CCN(S(=O)(=O)CC(C)C)CC2)CCC[NH2+]1	ZINC000662808610	803388265	/nfs/dbraw/zinc/38/82/65/803388265.db2.gz	WOWQALILJGEQGX-QGZVFWFLSA-N	1	0	357.520	1.251	20	30		FDEDRO
CC1(C)CC[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)C1	ZINC001112525148	803424863	/nfs/dbraw/zinc/42/48/63/803424863.db2.gz	BPIPTNNMORDRJB-GUXCAODWSA-N	1	0	360.502	1.671	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[NH+]3CCC2CC3)c1	ZINC000976474926	803429288	/nfs/dbraw/zinc/42/92/88/803429288.db2.gz	ORIYTLXADAVOOS-BRWVUGGUSA-N	1	0	369.469	1.385	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC000976556503	803521611	/nfs/dbraw/zinc/52/16/11/803521611.db2.gz	XZHPSTYLCNIIPF-BSDSXHPESA-N	1	0	371.485	1.774	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1	ZINC000423085259	814958064	/nfs/dbraw/zinc/95/80/64/814958064.db2.gz	JONUNXUNQHAFTQ-SFHVURJKSA-N	1	0	354.454	1.365	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@H]21	ZINC000976695848	803767856	/nfs/dbraw/zinc/76/78/56/803767856.db2.gz	QKQBDUKWCUQFOT-DOEOUOAPSA-N	1	0	370.497	1.591	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C[NH+]2CCCC2)cc1	ZINC000976697725	803771498	/nfs/dbraw/zinc/77/14/98/803771498.db2.gz	CMFVWBAOMYHBBV-RTBURBONSA-N	1	0	353.466	1.921	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1C	ZINC000976793291	803921430	/nfs/dbraw/zinc/92/14/30/803921430.db2.gz	MZCAQSLQEXWCCA-MNWMBMHPSA-N	1	0	361.486	1.025	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1	ZINC000423189344	814995505	/nfs/dbraw/zinc/99/55/05/814995505.db2.gz	PGZFJKOYRFKVDZ-NRFANRHFSA-N	1	0	355.482	1.846	20	30		FDEDRO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1	ZINC000662923850	804459241	/nfs/dbraw/zinc/45/92/41/804459241.db2.gz	TUHWKQVFORZKAS-VXGBXAGGSA-N	1	0	359.854	1.814	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(=O)NCC#N)C2)C1	ZINC001211670699	804483709	/nfs/dbraw/zinc/48/37/09/804483709.db2.gz	DKBVZMCKZKBYJK-ZWKOTPCHSA-N	1	0	366.465	1.567	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1	ZINC001211670741	804503551	/nfs/dbraw/zinc/50/35/51/804503551.db2.gz	GOSBYFVWIHYQMI-JKSUJKDBSA-N	1	0	370.453	1.122	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C(C)(C)C1	ZINC000977302227	804725229	/nfs/dbraw/zinc/72/52/29/804725229.db2.gz	JYCRSBUCXTZTOI-YQVWRLOYSA-N	1	0	368.481	1.451	20	30		FDEDRO
C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C(C)(C)C1	ZINC000977303322	804727249	/nfs/dbraw/zinc/72/72/49/804727249.db2.gz	LPQQUWHHRWBOOA-LZLYRXPVSA-N	1	0	356.470	1.614	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CCN2C(=O)C[C@@H]2C[C@H]2C2CC2)CC1	ZINC000977854966	805003705	/nfs/dbraw/zinc/00/37/05/805003705.db2.gz	OMPKHGCGKXZLTM-UFYCRDLUSA-N	1	0	371.525	1.827	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)C1CC[NH+](C)CC1	ZINC000977943985	805083078	/nfs/dbraw/zinc/08/30/78/805083078.db2.gz	IMFMIVVMTFIHIP-KSZLIROESA-N	1	0	363.502	1.369	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N3CCC3)C2)c1	ZINC001112527213	805135771	/nfs/dbraw/zinc/13/57/71/805135771.db2.gz	TVKXPUURVYWJNR-RXVVDRJESA-N	1	0	366.465	1.127	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2[nH]c(C)nc2C)C[C@H]1c1ccccc1	ZINC001211675174	805164035	/nfs/dbraw/zinc/16/40/35/805164035.db2.gz	ORKWUVKBFZHCCL-RBUKOAKNSA-N	1	0	366.465	1.874	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cccnc3OC)C[C@H]21	ZINC000978170317	805267885	/nfs/dbraw/zinc/26/78/85/805267885.db2.gz	VIEQDCVUCLPKRH-QQXKLLMISA-N	1	0	371.481	1.865	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2OCC[C@H]2C)C[C@H]1c1ccccc1	ZINC001211676113	805275289	/nfs/dbraw/zinc/27/52/89/805275289.db2.gz	DQISYUUUGHVXIN-MDNKFWRPSA-N	1	0	356.466	1.645	20	30		FDEDRO
N#CCNC(=O)CNC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1	ZINC000511916523	805343208	/nfs/dbraw/zinc/34/32/08/805343208.db2.gz	NNOVVGJDULKIBD-UHFFFAOYSA-N	1	0	365.437	1.307	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[C@@H]3N3CCCC3=O)[C@@H]2C1	ZINC000978293823	805344594	/nfs/dbraw/zinc/34/45/94/805344594.db2.gz	OBJYUNYAJFSTJO-QQXKLLMISA-N	1	0	357.498	1.485	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1	ZINC000423445856	815078526	/nfs/dbraw/zinc/07/85/26/815078526.db2.gz	CCVUHNBTTVREQD-SFHVURJKSA-N	1	0	359.470	1.827	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC[C@H]1[NH3+]	ZINC000423519657	815109929	/nfs/dbraw/zinc/10/99/29/815109929.db2.gz	DJTPXYWWFGCIHR-VDHUWJSZSA-N	1	0	354.454	1.480	20	30		FDEDRO
C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)CC1	ZINC000423558052	815115736	/nfs/dbraw/zinc/11/57/36/815115736.db2.gz	MINPIXWMRXAJHJ-KDOFPFPSSA-N	1	0	370.453	1.044	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1	ZINC001087433044	807434479	/nfs/dbraw/zinc/43/44/79/807434479.db2.gz	YHXMJLSNJGEKTE-QZTJIDSGSA-N	1	0	366.465	1.944	20	30		FDEDRO
CC(C)(C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1)[NH+]1CCCC1	ZINC000981111524	807569818	/nfs/dbraw/zinc/56/98/18/807569818.db2.gz	QYCGUPRKWDGSNQ-GOEBONIOSA-N	1	0	371.485	1.775	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](C[C@H]2CCc3ncnn32)CC1	ZINC000981190035	807689613	/nfs/dbraw/zinc/68/96/13/807689613.db2.gz	MONQZZXVEKYCGJ-ZACQAIPSSA-N	1	0	359.474	1.281	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)C2CC2)cc1	ZINC000423574481	815144257	/nfs/dbraw/zinc/14/42/57/815144257.db2.gz	SUIWLEFKZMNKSI-INIZCTEOSA-N	1	0	354.454	1.637	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)[C@@H](C)C[NH2+]1	ZINC000423635970	815172369	/nfs/dbraw/zinc/17/23/69/815172369.db2.gz	SAQIHQRMDBHBBA-CABCVRRESA-N	1	0	370.453	1.137	20	30		FDEDRO
CCCN(C(=O)C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)[C@@H]1CC[NH2+]C1	ZINC000423643014	815175476	/nfs/dbraw/zinc/17/54/76/815175476.db2.gz	CLBULZAYTQPYAO-QZTJIDSGSA-N	1	0	370.453	1.059	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)C3CC=CC3)C2)CC1	ZINC000981544717	808116227	/nfs/dbraw/zinc/11/62/27/808116227.db2.gz	PPCGVPIQSVUSTF-QFBILLFUSA-N	1	0	357.498	1.699	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@H]1CC[C@@H](NC(=O)Cc2c[nH]cn2)C1	ZINC000981583447	808184539	/nfs/dbraw/zinc/18/45/39/808184539.db2.gz	XTSOVIBYXSEJFU-LSDHHAIUSA-N	1	0	355.442	1.655	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N(CCC[NH3+])Cc1ccccc1	ZINC000423666797	815192213	/nfs/dbraw/zinc/19/22/13/815192213.db2.gz	IWBKHCMLEXGZFL-UHFFFAOYSA-N	1	0	364.449	1.894	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1	ZINC000652677336	808345463	/nfs/dbraw/zinc/34/54/63/808345463.db2.gz	YGBYEMKHUIMVIJ-MWDXBVQZSA-N	1	0	351.491	1.592	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)nn2)C[C@H]1c1ccccc1	ZINC001211700855	808495045	/nfs/dbraw/zinc/49/50/45/808495045.db2.gz	YYABXDXYHLYSHQ-FUHWJXTLSA-N	1	0	350.422	1.706	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(C)CCOCc2ccc(C#N)cc2)C1	ZINC000423741223	815221313	/nfs/dbraw/zinc/22/13/13/815221313.db2.gz	SPDMWLVQKABAEW-YJBOKZPZSA-N	1	0	372.469	1.119	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)nc1	ZINC000981844883	808611031	/nfs/dbraw/zinc/61/10/31/808611031.db2.gz	YNCQQDIGRRQKRP-YQVWRLOYSA-N	1	0	368.481	1.562	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)C[N@H+]3CCC[C@@H]3C)C2)nc1	ZINC000981847454	808623851	/nfs/dbraw/zinc/62/38/51/808623851.db2.gz	ASKKCXHBWDGXKG-RYQLBKOJSA-N	1	0	368.481	1.562	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CCC(=O)N2)C1	ZINC001087439221	809083422	/nfs/dbraw/zinc/08/34/22/809083422.db2.gz	LXLCUQPCXKWXIG-GUDVDZBRSA-N	1	0	353.466	1.653	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CN2CCCCCC2=O)C[C@H]1c1ccccc1	ZINC001211718475	809215615	/nfs/dbraw/zinc/21/56/15/809215615.db2.gz	OVTMOYYBHNDZPK-VQTJNVASSA-N	1	0	367.493	1.997	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1	ZINC000418820267	809244316	/nfs/dbraw/zinc/24/43/16/809244316.db2.gz	FCIVJAHVWHPVIS-TVFCKZIOSA-N	1	0	363.502	1.465	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2c[nH]cc2C)C[C@H]1c1ccccc1	ZINC001211720824	809271230	/nfs/dbraw/zinc/27/12/30/809271230.db2.gz	QHFGNHXWVHLNGG-RBUKOAKNSA-N	1	0	364.449	1.270	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000418916221	809310428	/nfs/dbraw/zinc/31/04/28/809310428.db2.gz	GZEPOTXGPNUFTF-SJPCQFCGSA-N	1	0	372.494	1.307	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000418923838	809319310	/nfs/dbraw/zinc/31/93/10/809319310.db2.gz	OLOSPVJQVUTRFB-SJORKVTESA-N	1	0	372.494	1.261	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CNC(=O)CC(C)(C)C)C[C@H]1c1ccccc1	ZINC001211724197	809341579	/nfs/dbraw/zinc/34/15/79/809341579.db2.gz	SOLGRFWVIXYFJO-ZWKOTPCHSA-N	1	0	355.482	1.756	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(CC)CCO2)C[C@H]1c1ccccc1	ZINC001211726331	809405929	/nfs/dbraw/zinc/40/59/29/809405929.db2.gz	WAFYXVNLKVLSHC-ZCNNSNEGSA-N	1	0	355.482	1.315	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@H](O)c2ccc(Br)cc2)CC1	ZINC000728916340	809466549	/nfs/dbraw/zinc/46/65/49/809466549.db2.gz	ARHICGGHCZGQQW-INIZCTEOSA-N	1	0	365.271	1.944	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1	ZINC001087441652	809474059	/nfs/dbraw/zinc/47/40/59/809474059.db2.gz	SIDHPFQGQAFYOF-IAGOWNOFSA-N	1	0	370.453	1.041	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1	ZINC000419061895	809500396	/nfs/dbraw/zinc/50/03/96/809500396.db2.gz	VMQKZRSFKUBJHA-WJFTUGDTSA-N	1	0	355.482	1.876	20	30		FDEDRO
C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000419108926	809568633	/nfs/dbraw/zinc/56/86/33/809568633.db2.gz	GYKYWPMCPJDMRT-CQSZACIVSA-N	1	0	367.371	1.241	20	30		FDEDRO
O=C(NCC#Cc1cccc(C(F)(F)F)c1)C(=O)NCC[C@@H]1CC[NH2+]C1	ZINC000419115107	809587155	/nfs/dbraw/zinc/58/71/55/809587155.db2.gz	NHWUEIHTXYWBLU-AWEZNQCLSA-N	1	0	367.371	1.289	20	30		FDEDRO
[NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000419117347	809588228	/nfs/dbraw/zinc/58/82/28/809588228.db2.gz	PXCVAGHIZKBKSP-DZGCQCFKSA-N	1	0	367.371	1.417	20	30		FDEDRO
C=CC[C@H](CC)NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1	ZINC000419130524	809592162	/nfs/dbraw/zinc/59/21/62/809592162.db2.gz	CHYXNQPIYFWDLG-RYQLBKOJSA-N	1	0	359.470	1.728	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1	ZINC000424081983	815305818	/nfs/dbraw/zinc/30/58/18/815305818.db2.gz	AXOZUTVKKKEEMP-INIZCTEOSA-N	1	0	364.409	1.504	20	30		FDEDRO
COc1ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc1OCC(=O)NC1CC1	ZINC000424100213	815307317	/nfs/dbraw/zinc/30/73/17/815307317.db2.gz	NJBHQHQACPCRAW-AWEZNQCLSA-N	1	0	360.414	1.312	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1	ZINC000424105306	815308726	/nfs/dbraw/zinc/30/87/26/815308726.db2.gz	JEJXKZYDXKNIIK-QGZVFWFLSA-N	1	0	354.454	1.835	20	30		FDEDRO
C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@H]([NH3+])CCCC#N)cc2)C[C@@H](C)O1	ZINC000424136690	815315143	/nfs/dbraw/zinc/31/51/43/815315143.db2.gz	REOLBTRGKKAJCW-GPMSIDNRSA-N	1	0	358.486	1.933	20	30		FDEDRO
C=CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000424138782	815315802	/nfs/dbraw/zinc/31/58/02/815315802.db2.gz	MWZYQBGMTOCKOZ-RHSMWYFYSA-N	1	0	353.430	1.759	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CC4CCOCC4)[C@@H]3C2)C1=O	ZINC001075633863	809848073	/nfs/dbraw/zinc/84/80/73/809848073.db2.gz	PWWNKWPIZMJZAQ-RCCFBDPRSA-N	1	0	361.486	1.123	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)nc2)C[C@H]1c1ccccc1	ZINC001211733720	809899644	/nfs/dbraw/zinc/89/96/44/809899644.db2.gz	CDYUJCQUQGTSMY-PKOBYXMFSA-N	1	0	362.433	1.402	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1	ZINC000332749039	809908814	/nfs/dbraw/zinc/90/88/14/809908814.db2.gz	YTVFUNAWCFYYHC-DOTOQJQBSA-N	1	0	360.502	1.956	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)N2CCOCC2)C[C@H]1c1ccccc1	ZINC001211745588	809972840	/nfs/dbraw/zinc/97/28/40/809972840.db2.gz	FKFOMJHLGRQRHM-YSIASYRMSA-N	1	0	355.482	1.315	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1	ZINC001087454374	810045516	/nfs/dbraw/zinc/04/55/16/810045516.db2.gz	QNFQVRDSPVIMPF-QXAKKESOSA-N	1	0	371.456	1.649	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCCNC2=O)C1	ZINC001087455761	810065953	/nfs/dbraw/zinc/06/59/53/810065953.db2.gz	MBAIVEOGWAPBFN-FGTMMUONSA-N	1	0	359.445	1.812	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1	ZINC001087455312	810069793	/nfs/dbraw/zinc/06/97/93/810069793.db2.gz	NBQCVGBISPHUHH-BHIYHBOVSA-N	1	0	371.456	1.601	20	30		FDEDRO
Cc1c(C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)nnn1C	ZINC001075640663	810128406	/nfs/dbraw/zinc/12/84/06/810128406.db2.gz	VNULLDXOZSABPT-DLBZAZTESA-N	1	0	350.426	1.342	20	30		FDEDRO
N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1	ZINC000473477726	810134601	/nfs/dbraw/zinc/13/46/01/810134601.db2.gz	CKTCGTIUDPYRHV-GUDVDZBRSA-N	1	0	366.465	1.792	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cnccc4C)[C@@H]3C2)C1=O	ZINC001075642559	810159665	/nfs/dbraw/zinc/15/96/65/810159665.db2.gz	IKAOSYMDHRMZNG-RYQLBKOJSA-N	1	0	354.454	1.323	20	30		FDEDRO
Cc1nnc(CNC(=[NH+]C2CC2)N2CCN([C@H](C)C(F)(F)F)CC2)n1C	ZINC000261721209	810312979	/nfs/dbraw/zinc/31/29/79/810312979.db2.gz	WRDINRCVPAMPNP-LLVKDONJSA-N	1	0	373.427	1.300	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1	ZINC000419288986	810330623	/nfs/dbraw/zinc/33/06/23/810330623.db2.gz	PXSIFRFAXAKYBF-MOPGFXCFSA-N	1	0	362.433	1.375	20	30		FDEDRO
N#CCCn1cc(C[NH2+][C@@H]2CCC[C@H](C(N)=O)C2)c(-c2ccncc2)n1	ZINC000433314972	810414546	/nfs/dbraw/zinc/41/45/46/810414546.db2.gz	CRZNGAVASSMPCC-DOTOQJQBSA-N	1	0	352.442	1.992	20	30		FDEDRO
N#CCCn1cc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)c(-c2ccncc2)n1	ZINC000433318957	810422885	/nfs/dbraw/zinc/42/28/85/810422885.db2.gz	POMLONNYDFVJOC-LJQANCHMSA-N	1	0	366.469	1.812	20	30		FDEDRO
CC#CCN(C)C(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000924885822	810529332	/nfs/dbraw/zinc/52/93/32/810529332.db2.gz	JCCFUJZUVQORSV-UHFFFAOYSA-N	1	0	352.479	1.640	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@]2(C)C[N@@H+]([C@H](C)C(N)=O)C[C@]2(C)C1	ZINC000982631420	810639484	/nfs/dbraw/zinc/63/94/84/810639484.db2.gz	XTYDEKOOFRUBLI-GTXWJXBTSA-N	1	0	363.502	1.402	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N	ZINC000894186023	810855492	/nfs/dbraw/zinc/85/54/92/810855492.db2.gz	SRTFQODNLFPACV-ILXRZTDVSA-N	1	0	365.478	1.529	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)ccc1C#N	ZINC000453569501	810856547	/nfs/dbraw/zinc/85/65/47/810856547.db2.gz	CRLLLJNXGJABNY-MRXNPFEDSA-N	1	0	369.400	1.758	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1C#N	ZINC000453697478	810899476	/nfs/dbraw/zinc/89/94/76/810899476.db2.gz	QLHAXJSXNAAEBR-INIZCTEOSA-N	1	0	355.442	1.391	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1	ZINC001087463624	811112326	/nfs/dbraw/zinc/11/23/26/811112326.db2.gz	SWIAXSAUVHBALS-BOFPYLFWSA-N	1	0	370.428	1.994	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCCCNC(N)=O)C[C@H]1C(F)(F)F	ZINC001112128321	811351813	/nfs/dbraw/zinc/35/18/13/811351813.db2.gz	DBBUKNNKXKNBKR-CHWSQXEVSA-N	1	0	364.412	1.770	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCCC2)N1CC[C@@H](C)[C@H](n2ccnc2)C1	ZINC000261963422	811355012	/nfs/dbraw/zinc/35/50/12/811355012.db2.gz	KVGKBIFXIMLLBK-HUUCEWRRSA-N	1	0	356.478	1.469	20	30		FDEDRO
[NH2+]=C(NCc1ccc(N2CCCC2)nc1)N1CCN(c2ncccn2)CC1	ZINC000261980770	811360466	/nfs/dbraw/zinc/36/04/66/811360466.db2.gz	HXWKFMFYDNXGNS-UHFFFAOYSA-N	1	0	366.473	1.109	20	30		FDEDRO
C[NH+]=C(NCCn1cc([N+](=O)[O-])cn1)N1CC[C@H](C)[C@H](n2ccnc2)C1	ZINC000262027171	811370473	/nfs/dbraw/zinc/37/04/73/811370473.db2.gz	ZZTLGUZMPLEUCA-DZGCQCFKSA-N	1	0	360.422	1.146	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1C(F)(F)F	ZINC001112128700	811422273	/nfs/dbraw/zinc/42/22/73/811422273.db2.gz	XPEDNCWJTNTQTE-JHJVBQTASA-N	1	0	368.421	1.366	20	30		FDEDRO
C[NH+]=C(NCc1ccc(C(N)=O)o1)N[C@H]1CCCN(c2cccc(F)c2)C1	ZINC000262389085	811456145	/nfs/dbraw/zinc/45/61/45/811456145.db2.gz	LTIBOIPCQYYYTK-AWEZNQCLSA-N	1	0	373.432	1.852	20	30		FDEDRO
C[NH+]=C(NCc1ccc(C(N)=O)o1)N[C@H]1CCCN(c2ccccc2)C1	ZINC000262407309	811459800	/nfs/dbraw/zinc/45/98/00/811459800.db2.gz	OUMVZGXAYBNJDN-AWEZNQCLSA-N	1	0	355.442	1.713	20	30		FDEDRO
CC[NH+]=C(NCc1nnc2n1CCCC2)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000262506182	811480448	/nfs/dbraw/zinc/48/04/48/811480448.db2.gz	ZWWKXKRRAIEDNZ-CQSZACIVSA-N	1	0	356.478	1.303	20	30		FDEDRO
[NH2+]=C(NC[C@@H]1CCOc2ccccc21)N1CCN(c2ncccn2)CC1	ZINC000262544907	811488956	/nfs/dbraw/zinc/48/89/56/811488956.db2.gz	UQBOXRWECYTMGS-HNNXBMFYSA-N	1	0	352.442	1.480	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCCNC2=O)C1	ZINC001087465303	811489311	/nfs/dbraw/zinc/48/93/11/811489311.db2.gz	HBXHYKSGIWCDEI-GUDVDZBRSA-N	1	0	371.456	1.649	20	30		FDEDRO
C[NH+]=C(NC[C@@H](O)c1ccc(Cl)cc1)N1CCN(c2ncccn2)CC1	ZINC000262567699	811495123	/nfs/dbraw/zinc/49/51/23/811495123.db2.gz	MBXVKEOUBMEWGE-MRXNPFEDSA-N	1	0	374.876	1.561	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C#N)Cc3ccc(C#N)cc3)C2)CC1	ZINC000280143994	811725803	/nfs/dbraw/zinc/72/58/03/811725803.db2.gz	AHGVGFWLGIBNHO-PMACEKPBSA-N	1	0	365.481	1.479	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1	ZINC000982898729	811906480	/nfs/dbraw/zinc/90/64/80/811906480.db2.gz	VISOQBBAKHSYRE-IEZWGBDMSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000982899188	811907263	/nfs/dbraw/zinc/90/72/63/811907263.db2.gz	XNNCUUUPVIUPPN-BRWVUGGUSA-N	1	0	358.486	1.593	20	30		FDEDRO
COC(=O)[C@H]1CN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC[N@H+](C)C1	ZINC000419610332	812055675	/nfs/dbraw/zinc/05/56/75/812055675.db2.gz	JTTKCSSHEKTLKH-AEFFLSMTSA-N	1	0	370.453	1.682	20	30		FDEDRO
N#Cc1cccc(OC2CCN(C(=O)C(=O)NCCC[NH2+]C3CC3)CC2)c1	ZINC000419853425	812257960	/nfs/dbraw/zinc/25/79/60/812257960.db2.gz	NGFCBMSIRIFJHV-UHFFFAOYSA-N	1	0	370.453	1.186	20	30		FDEDRO
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)NCC[C@H]1CCC[NH2+]1	ZINC000419943796	812309007	/nfs/dbraw/zinc/30/90/07/812309007.db2.gz	HUPWYNNYFAXCLY-FGTMMUONSA-N	1	0	354.454	1.543	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1	ZINC000420057550	813413139	/nfs/dbraw/zinc/41/31/39/813413139.db2.gz	NJDHAIHPZKUCTA-GUDVDZBRSA-N	1	0	368.481	1.918	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1	ZINC000420220668	813565530	/nfs/dbraw/zinc/56/55/30/813565530.db2.gz	YKERXSDFWJJQHN-GBESFXJTSA-N	1	0	368.481	1.800	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)NCc1ccccc1C[NH2+]C	ZINC000652719801	813584231	/nfs/dbraw/zinc/58/42/31/813584231.db2.gz	NAKXIGISIXMYHZ-UHFFFAOYSA-N	1	0	355.438	1.873	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC000983015970	814016906	/nfs/dbraw/zinc/01/69/06/814016906.db2.gz	RRFYCDYLAXNAJU-ULQDDVLXSA-N	1	0	361.486	1.028	20	30		FDEDRO
C=CCn1c(-c2cccnc2)nnc1N1CCN(C(COC)COC)CC1	ZINC000414513034	814117339	/nfs/dbraw/zinc/11/73/39/814117339.db2.gz	DXIBKBNEEDFGEK-UHFFFAOYSA-N	1	0	372.473	1.310	20	30		FDEDRO
CC(C)(CC#N)CNC(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1	ZINC000421405108	814136959	/nfs/dbraw/zinc/13/69/59/814136959.db2.gz	QOLWRJFLEDIQHN-UHFFFAOYSA-N	1	0	370.497	1.866	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CSC(C)C)C2)C1=O	ZINC001111600930	814186749	/nfs/dbraw/zinc/18/67/49/814186749.db2.gz	DIZVSUJCYJKFFC-BXWFABGCSA-N	1	0	365.543	1.886	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCC[C@H](C)C1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1	ZINC000261858509	814674931	/nfs/dbraw/zinc/67/49/31/814674931.db2.gz	ZALPYEIBJADXRY-KSMMKXTCSA-N	1	0	363.506	1.698	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc1	ZINC001028698715	814802872	/nfs/dbraw/zinc/80/28/72/814802872.db2.gz	QGOPJMSKFYDABO-ROMHJBHXSA-N	1	0	351.450	1.920	20	30		FDEDRO
CC(C)[N@H+](C)CCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O	ZINC000505513700	815768488	/nfs/dbraw/zinc/76/84/88/815768488.db2.gz	GNSALSPXYHJEIQ-INIZCTEOSA-N	1	0	371.441	1.220	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3CN(Cc4cc5n(n4)CCCC5)C[C@H]32)c[nH]1	ZINC001075709926	815775604	/nfs/dbraw/zinc/77/56/04/815775604.db2.gz	UEEVJASVAWBWHA-IFXJQAMLSA-N	1	0	364.453	1.766	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)Nc1cc(C)on1	ZINC001167956577	815777878	/nfs/dbraw/zinc/77/78/78/815777878.db2.gz	CRSCYAMPVUDJMX-YOEHRIQHSA-N	1	0	364.446	1.389	20	30		FDEDRO
CN(C)C(=O)NCC[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000434987374	815870789	/nfs/dbraw/zinc/87/07/89/815870789.db2.gz	UEJVKJBZGRETPY-UHFFFAOYSA-N	1	0	355.446	1.562	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCn2ccnc2C1	ZINC000435107243	815913751	/nfs/dbraw/zinc/91/37/51/815913751.db2.gz	GDZMEBZFAIBGCC-CYBMUJFWSA-N	1	0	354.414	1.381	20	30		FDEDRO
CCNC(=O)c1cccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1	ZINC000514774485	815971682	/nfs/dbraw/zinc/97/16/82/815971682.db2.gz	KCPULMKXHJPWOQ-UHFFFAOYSA-N	1	0	373.457	1.069	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001028856508	816242742	/nfs/dbraw/zinc/24/27/42/816242742.db2.gz	IOTOPBFABYQHBM-VDZJLULYSA-N	1	0	356.470	1.615	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N[C@@H]2CC[C@H](C#N)C2)c1	ZINC000425434724	816282759	/nfs/dbraw/zinc/28/27/59/816282759.db2.gz	PXWPLCOPHKMCMR-WMLDXEAASA-N	1	0	357.458	1.469	20	30		FDEDRO
C=CCn1cc(CNC(=O)N[C@@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)nn1	ZINC000425444529	816302649	/nfs/dbraw/zinc/30/26/49/816302649.db2.gz	BSZXLDIGQCVLOV-DOTOQJQBSA-N	1	0	364.494	1.400	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC(=O)N2CCCCC2)C1	ZINC001028861784	816302973	/nfs/dbraw/zinc/30/29/73/816302973.db2.gz	CMAQKOBYWBUWDT-LNLFQRSKSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=CCn1cc(CNC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)nn1	ZINC000425458761	816323651	/nfs/dbraw/zinc/32/36/51/816323651.db2.gz	NRUBDZYRYICREZ-UHFFFAOYSA-N	1	0	354.458	1.363	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]CCn2c(=O)oc3ccccc32)cc1	ZINC000515637820	816354360	/nfs/dbraw/zinc/35/43/60/816354360.db2.gz	YNAPFFCLVIKJLY-HNNXBMFYSA-N	1	0	353.378	1.496	20	30		FDEDRO
C=CC[N@@H+]([C@H](C)C(=O)NC(=O)NCC)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000436396424	816478168	/nfs/dbraw/zinc/47/81/68/816478168.db2.gz	XKTZBQPRAQGIQW-UONOGXRCSA-N	1	0	371.445	1.446	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](c3nnc[nH]3)C2)c(OC)c1	ZINC000425539192	816502811	/nfs/dbraw/zinc/50/28/11/816502811.db2.gz	CMDJBYATSQKERW-HOTGVXAUSA-N	1	0	358.442	1.771	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)n(CCC#N)n1	ZINC000516315213	816760791	/nfs/dbraw/zinc/76/07/91/816760791.db2.gz	JNRTYPJQQZUXDU-OAHLLOKOSA-N	1	0	360.462	1.280	20	30		FDEDRO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCCC(=O)N1CCN(C)CC1	ZINC000425656354	816815817	/nfs/dbraw/zinc/81/58/17/816815817.db2.gz	SFIYIBXLLRYTNS-HNNXBMFYSA-N	1	0	357.458	1.425	20	30		FDEDRO
C[N@H+]1C[C@H]2CN(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)C[C@H]2C1	ZINC000894334802	817094707	/nfs/dbraw/zinc/09/47/07/817094707.db2.gz	CSQIXKWNAKKISG-OQSMONGASA-N	1	0	369.469	1.846	20	30		FDEDRO
N#CCc1ccc(CNC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)cc1	ZINC000517030355	817177546	/nfs/dbraw/zinc/17/75/46/817177546.db2.gz	SXWVQLGZPUMFGW-UHFFFAOYSA-N	1	0	351.414	1.274	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1	ZINC000425891623	817328704	/nfs/dbraw/zinc/32/87/04/817328704.db2.gz	PGFQFSPCBIINTD-NEWSRXKRSA-N	1	0	373.497	1.721	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1	ZINC000425891624	817328829	/nfs/dbraw/zinc/32/88/29/817328829.db2.gz	PGFQFSPCBIINTD-WDSOQIARSA-N	1	0	373.497	1.721	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(C)c1	ZINC000425910279	817364246	/nfs/dbraw/zinc/36/42/46/817364246.db2.gz	UUBLLTIMCOGEAJ-OALUTQOASA-N	1	0	373.497	1.593	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccccc2C(N)=O)C[C@H]1C(F)(F)F	ZINC001112141402	817537309	/nfs/dbraw/zinc/53/73/09/817537309.db2.gz	ZUYVNXYHMXKMHM-HUUCEWRRSA-N	1	0	367.371	1.330	20	30		FDEDRO
CCNC(=O)Cn1c2c(cc(C#N)c1=O)C[N@@H+](Cc1ccccc1)CC2	ZINC000517759694	817566984	/nfs/dbraw/zinc/56/69/84/817566984.db2.gz	UEKJQQVIIBEJCQ-UHFFFAOYSA-N	1	0	350.422	1.414	20	30		FDEDRO
CC1CC[NH+](C[C@@H](O)CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1	ZINC000506339222	817690286	/nfs/dbraw/zinc/69/02/86/817690286.db2.gz	PFJGCGSNTDKKOW-KXBFYZLASA-N	1	0	367.490	1.457	20	30		FDEDRO
C#CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@]2(C)CCC(=O)NC2)C1	ZINC001087467028	817721988	/nfs/dbraw/zinc/72/19/88/817721988.db2.gz	APPCIRQWXLLXDR-DBXWQHBBSA-N	1	0	371.456	1.649	20	30		FDEDRO
C[NH+]=C(NCc1ccnc(N2CCOCC2)c1)N1CC[C@@]2(CCOC2)C1	ZINC000261968201	817830421	/nfs/dbraw/zinc/83/04/21/817830421.db2.gz	LZTVMANZDZARIP-LJQANCHMSA-N	1	0	359.474	1.106	20	30		FDEDRO
Cc1nnc(CNC(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)=[NH+]C2CCCC2)n1C	ZINC000261967883	817830587	/nfs/dbraw/zinc/83/05/87/817830587.db2.gz	LXCKHDZYIPOPBZ-UAGQMJEPSA-N	1	0	360.506	1.915	20	30		FDEDRO
C[C@]1(C2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)NC(=O)NC1=O	ZINC000437884323	817875734	/nfs/dbraw/zinc/87/57/34/817875734.db2.gz	ZRUMZIYUSWAWJU-LJQANCHMSA-N	1	0	369.425	1.197	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001087467592	817881749	/nfs/dbraw/zinc/88/17/49/817881749.db2.gz	FGZFMRCNTNMHJV-ZJPYXAASSA-N	1	0	359.445	1.797	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cc3c(nc4ccccn4c3=O)n2C)CC1	ZINC000439541745	817991931	/nfs/dbraw/zinc/99/19/31/817991931.db2.gz	NAGUJLBGJZRTFK-UHFFFAOYSA-N	1	0	365.437	1.566	20	30		FDEDRO
C#CCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1	ZINC001087475972	818349315	/nfs/dbraw/zinc/34/93/15/818349315.db2.gz	MADBMSNXXWBMAT-YYWHXJBOSA-N	1	0	369.509	1.944	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br	ZINC000827972293	818363528	/nfs/dbraw/zinc/36/35/28/818363528.db2.gz	YJVMEAMJFDLLNG-LBPRGKRZSA-N	1	0	364.243	1.556	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]Cc2nnc(CC)o2)CC1	ZINC001029146869	818934878	/nfs/dbraw/zinc/93/48/78/818934878.db2.gz	WYWFKIBSWNQKNS-BMFZPTHFSA-N	1	0	362.474	1.940	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)cc1	ZINC000520220070	819258763	/nfs/dbraw/zinc/25/87/63/819258763.db2.gz	QIVSETHEXDRYNA-HIFRSBDPSA-N	1	0	371.359	1.441	20	30		FDEDRO
C=C(Br)CN1CC[C@H](NC(=O)CN2CCCC2=O)[C@H]1CC	ZINC001087497701	819325193	/nfs/dbraw/zinc/32/51/93/819325193.db2.gz	CLBFFAFFQXYRDK-QWHCGFSZSA-N	1	0	358.280	1.487	20	30		FDEDRO
CC(=O)N1CCC[C@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1	ZINC000328677433	819533215	/nfs/dbraw/zinc/53/32/15/819533215.db2.gz	SCTMZYCJHRBUHC-MSOLQXFVSA-N	1	0	366.506	1.203	20	30		FDEDRO
C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2C[C@@H]3COC[C@H](C2)O3)CC1	ZINC000328737884	819541571	/nfs/dbraw/zinc/54/15/71/819541571.db2.gz	LYBDNFIEXKZIAU-OLMNPRSZSA-N	1	0	360.458	1.621	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1)N1CCOCC1	ZINC000328813763	819552248	/nfs/dbraw/zinc/55/22/48/819552248.db2.gz	BWEUUYMNLKHBCA-INIZCTEOSA-N	1	0	374.485	1.773	20	30		FDEDRO
Cn1c(=O)c2cc(C(=O)NCC[N@H+](C)C3CCCCC3)cnc2n(C)c1=O	ZINC000328903980	819572552	/nfs/dbraw/zinc/57/25/52/819572552.db2.gz	IQZALXGJWRAIMG-UHFFFAOYSA-N	1	0	373.457	1.201	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CCO[C@@H]3C3CC3)cn2)CC1	ZINC000328899262	819580588	/nfs/dbraw/zinc/58/05/88/819580588.db2.gz	YUBYJLFQCPDXLE-IEBWSBKVSA-N	1	0	373.501	1.795	20	30		FDEDRO
Cn1nccc1[C@H]1[C@H](CNC(=O)C(C)(C)N2CCOCC2)CCC[N@@H+]1C	ZINC000328978568	819604094	/nfs/dbraw/zinc/60/40/94/819604094.db2.gz	CKRGIRYJSXNFCM-DOTOQJQBSA-N	1	0	363.506	1.870	20	30		FDEDRO
CNC(=O)c1cccc(CCC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c1	ZINC000331029947	819659540	/nfs/dbraw/zinc/65/95/40/819659540.db2.gz	SAPFNSVUVJUVJX-HNNXBMFYSA-N	1	0	361.486	1.857	20	30		FDEDRO
Cn1ccnc1[C@@H]1CN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CCN1C	ZINC000331038711	819660467	/nfs/dbraw/zinc/66/04/67/819660467.db2.gz	PAUACEASTCHYMG-HOTGVXAUSA-N	1	0	364.538	1.989	20	30		FDEDRO
CCNC(=O)NC(=O)[C@@H](C)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1	ZINC000331254994	819674567	/nfs/dbraw/zinc/67/45/67/819674567.db2.gz	XZCMLFPCMUEEMB-IJEWVQPXSA-N	1	0	364.494	1.173	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc(CC)n[nH]3)[C@H]2CC)C1=O	ZINC001087507192	820040495	/nfs/dbraw/zinc/04/04/95/820040495.db2.gz	KVOIYWQCOVQAFQ-UAGQMJEPSA-N	1	0	359.474	1.342	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CC[C@@H]2COc3ccccc3O2)nc1	ZINC000520569038	820092901	/nfs/dbraw/zinc/09/29/01/820092901.db2.gz	PTJCGHAKWFAOGL-OAHLLOKOSA-N	1	0	373.434	1.547	20	30		FDEDRO
CC(C)c1cccc(CN2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)n1	ZINC001083414438	820211742	/nfs/dbraw/zinc/21/17/42/820211742.db2.gz	CQBCZEYHFYOGFH-MSOLQXFVSA-N	1	0	353.426	1.380	20	30		FDEDRO
CC#CC[C@@H](CO)[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000895094657	820263781	/nfs/dbraw/zinc/26/37/81/820263781.db2.gz	COSPSHIZONUWCK-INIZCTEOSA-N	1	0	366.483	1.212	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCCN(C)C1=O	ZINC001029312134	820539307	/nfs/dbraw/zinc/53/93/07/820539307.db2.gz	RUQIXDVSVYKITI-ILOCAZANSA-N	1	0	361.486	1.264	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1Cc1cc(=O)c(OC)co1	ZINC001087535305	820920757	/nfs/dbraw/zinc/92/07/57/820920757.db2.gz	CIRQLFMPOFPIBS-GOEBONIOSA-N	1	0	370.409	1.631	20	30		FDEDRO
C[NH+]1CCN(c2cccc(Cl)c2CN[C@@H]2CCCN(O)C2=O)CC1	ZINC000895158467	821194824	/nfs/dbraw/zinc/19/48/24/821194824.db2.gz	JRXDUBHBGMITLX-OAHLLOKOSA-N	1	0	352.866	1.562	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C[C@H]1CCc2ncnn21	ZINC001087545281	821245451	/nfs/dbraw/zinc/24/54/51/821245451.db2.gz	ASPYCRMWWHIDTQ-IJEWVQPXSA-N	1	0	353.430	1.248	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)[C@H]1CC	ZINC001087591918	821632443	/nfs/dbraw/zinc/63/24/43/821632443.db2.gz	USCQCVJAFRVLGI-IXDOHACOSA-N	1	0	351.491	1.417	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCNC2=O)CC[N@@H+]1CC#Cc1ccc(F)cc1	ZINC001087600218	821682018	/nfs/dbraw/zinc/68/20/18/821682018.db2.gz	NDZDOYBXVOUPSY-YTQUADARSA-N	1	0	371.456	1.673	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCc2cnn(C)c2)[C@@H]1CC	ZINC001087606982	821713292	/nfs/dbraw/zinc/71/32/92/821713292.db2.gz	DHPNYPYMVGJKAE-OTWHNJEPSA-N	1	0	357.502	1.029	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H](Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1	ZINC000895201701	821801688	/nfs/dbraw/zinc/80/16/88/821801688.db2.gz	OKJRININPLWWHX-KRWDZBQOSA-N	1	0	363.483	1.217	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)NC2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087635655	821856803	/nfs/dbraw/zinc/85/68/03/821856803.db2.gz	JBZSMRVUPDWYFB-OKZBNKHCSA-N	1	0	354.454	1.554	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3n[nH]c4c3CCC4)[C@H]2CC)C1=O	ZINC001087637947	821869799	/nfs/dbraw/zinc/86/97/99/821869799.db2.gz	SLNGSNWLVFAXEV-BBWFWOEESA-N	1	0	371.485	1.268	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000984267247	822062198	/nfs/dbraw/zinc/06/21/98/822062198.db2.gz	YGHFVNSOJVUIOH-SOLBZPMBSA-N	1	0	371.485	1.680	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C2CC(=O)NC(=O)C2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087761746	822387104	/nfs/dbraw/zinc/38/71/04/822387104.db2.gz	LCIUFBUOIPFGRA-DLBZAZTESA-N	1	0	368.437	1.080	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccnc(C)c3)[C@H]2CC)C1=O	ZINC001087768209	822402146	/nfs/dbraw/zinc/40/21/46/822402146.db2.gz	QQFYGTQFEIAHBN-RCCFBDPRSA-N	1	0	356.470	1.760	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)[C@H]1CC	ZINC001087795526	822458569	/nfs/dbraw/zinc/45/85/69/822458569.db2.gz	JEAJMWCMRZYWTC-NWDGAFQWSA-N	1	0	350.419	1.445	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCc3cnn(C)c3)[C@@H]2CC)cn1	ZINC001087801468	822461257	/nfs/dbraw/zinc/46/12/57/822461257.db2.gz	QEMWAZXUTBPSGA-RBUKOAKNSA-N	1	0	351.454	1.622	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C[C@@H]3CCc4ncnn43)[C@@H]2CC)nc1	ZINC001087802543	822462667	/nfs/dbraw/zinc/46/26/67/822462667.db2.gz	WHTFILSCBMYFIC-XYJFISCASA-N	1	0	364.453	1.425	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3[nH]cnc3CC)[C@H]2CC)C1=O	ZINC001087813461	822480809	/nfs/dbraw/zinc/48/08/09/822480809.db2.gz	NMJXWXYXXOUKRC-XHSDSOJGSA-N	1	0	359.474	1.342	20	30		FDEDRO
COc1ccccc1CCC[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1	ZINC001083417928	822525789	/nfs/dbraw/zinc/52/57/89/822525789.db2.gz	JIFYJNYZTCDYDS-MSOLQXFVSA-N	1	0	368.437	1.303	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cccn3CC)[C@H]2CC)C1=O	ZINC001087831184	822527402	/nfs/dbraw/zinc/52/74/02/822527402.db2.gz	XACWTYWVVPNYQS-JZXOWHBKSA-N	1	0	358.486	1.878	20	30		FDEDRO
C=CCOc1ccccc1C[NH2+]C[C@]1(C(=O)OC)C[C@@H]1S(C)(=O)=O	ZINC000895507351	822628160	/nfs/dbraw/zinc/62/81/60/822628160.db2.gz	FCJJMHMUHGSAMT-DOTOQJQBSA-N	1	0	353.440	1.317	20	30		FDEDRO
C[C@]1(C#N)CN(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)CCO1	ZINC000895640947	822684794	/nfs/dbraw/zinc/68/47/94/822684794.db2.gz	PAQCAANTBDUTGF-SFHVURJKSA-N	1	0	350.463	1.201	20	30		FDEDRO
N#Cc1ccccc1N1CCCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1	ZINC000895732666	822719691	/nfs/dbraw/zinc/71/96/91/822719691.db2.gz	NDXPUWJOLBENEN-UHFFFAOYSA-N	1	0	368.481	1.708	20	30		FDEDRO
[NH2+]=C(NCc1nc(C(F)(F)F)n[nH]1)N1CCN(c2ccc(F)cc2)CC1	ZINC000262572800	828515579	/nfs/dbraw/zinc/51/55/79/828515579.db2.gz	ZITQVRHJVVVNQE-UHFFFAOYSA-N	1	0	371.342	1.600	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4cc[nH]n4)C[C@@H]3C2)cc1F	ZINC001087917109	823825631	/nfs/dbraw/zinc/82/56/31/823825631.db2.gz	DCKUHRBWRJHFRK-SJORKVTESA-N	1	0	367.428	1.943	20	30		FDEDRO
CN1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4)CC[C@@H]3C2)C1	ZINC001087920078	823867144	/nfs/dbraw/zinc/86/71/44/823867144.db2.gz	DJLBLUVVSNOSTR-AABGKKOBSA-N	1	0	368.481	1.169	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCc4ccoc4)C[C@@H]3C2)C1=O	ZINC001087928943	823953500	/nfs/dbraw/zinc/95/35/00/823953500.db2.gz	OHVBXXZAGXNUIY-CEXWTWQISA-N	1	0	371.481	1.779	20	30		FDEDRO
N#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CCCN4CCCC4=O)CC[C@@H]3C2)[nH]1	ZINC001087935136	823980760	/nfs/dbraw/zinc/98/07/60/823980760.db2.gz	QKAANHNSIMSCHZ-CVEARBPZSA-N	1	0	369.469	1.293	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@H]4COC(=O)C4)C[C@@H]3C2)c1	ZINC001087933792	823989926	/nfs/dbraw/zinc/98/99/26/823989926.db2.gz	FVXNARANQONZBD-QRVBRYPASA-N	1	0	367.449	1.792	20	30		FDEDRO
COc1ccnc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]3C2)c1	ZINC001087938857	824018337	/nfs/dbraw/zinc/01/83/37/824018337.db2.gz	NERWTJCRXMMWER-CABCVRRESA-N	1	0	365.437	1.884	20	30		FDEDRO
N#Cc1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccc(CO)cc4)CC[C@@H]3C2)c[nH]1	ZINC001087940361	824035859	/nfs/dbraw/zinc/03/58/59/824035859.db2.gz	GLFGKCPXUVXKRK-MJGOQNOKSA-N	1	0	364.449	1.973	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)CC[C@@H]2C1)n1cncn1	ZINC001087940390	824036155	/nfs/dbraw/zinc/03/61/55/824036155.db2.gz	HPXYARQSLWKRBT-LZQZEXGQSA-N	1	0	364.453	1.691	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)CC[C@@H]2C1)n1cncn1	ZINC001087940389	824036198	/nfs/dbraw/zinc/03/61/98/824036198.db2.gz	HPXYARQSLWKRBT-IPELMVKDSA-N	1	0	364.453	1.691	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc3n(n2)CCC3)C1	ZINC001029845468	828610031	/nfs/dbraw/zinc/61/00/31/828610031.db2.gz	IOXHPRURXLCMBD-IPELMVKDSA-N	1	0	358.486	1.701	20	30		FDEDRO
Cn1nncc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)CC[C@@H]2C1	ZINC001087953454	824130159	/nfs/dbraw/zinc/13/01/59/824130159.db2.gz	WVDSMMPWPZGTAN-SJORKVTESA-N	1	0	350.426	1.281	20	30		FDEDRO
CC(C)(C)n1nnc(CC[N@@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)n1	ZINC001087961899	824182780	/nfs/dbraw/zinc/18/27/80/824182780.db2.gz	ORYMUBQWCSNSPL-SJORKVTESA-N	1	0	370.501	1.164	20	30		FDEDRO
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1	ZINC000896200024	824183635	/nfs/dbraw/zinc/18/36/35/824183635.db2.gz	IXWMLKOFNRIPQY-IUODEOHRSA-N	1	0	356.430	1.946	20	30		FDEDRO
COc1ccc([C@H]([NH2+]C(C)C)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1	ZINC000896314287	824308932	/nfs/dbraw/zinc/30/89/32/824308932.db2.gz	FMCHXJXGVHQFNL-HKUYNNGSSA-N	1	0	356.470	1.933	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)CC[C@@H]2C1	ZINC001087979424	824341806	/nfs/dbraw/zinc/34/18/06/824341806.db2.gz	ZRNDIDAMYADZMT-ILXRZTDVSA-N	1	0	353.894	1.776	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc4cc[nH]cc-4c3=O)C[C@@H]2C1	ZINC001087981424	824350031	/nfs/dbraw/zinc/35/00/31/824350031.db2.gz	AGZXELFPXNXFMT-CABCVRRESA-N	1	0	352.438	1.893	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccnc(OC)c2)C1	ZINC001029846634	828650235	/nfs/dbraw/zinc/65/02/35/828650235.db2.gz	JATSWLGABVWHGP-KSZLIROESA-N	1	0	359.470	1.962	20	30		FDEDRO
O=C(N[C@H]1CCO[C@@H]1c1cccnc1)NC1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000329134467	824618087	/nfs/dbraw/zinc/61/80/87/824618087.db2.gz	QCNVIIHXDCMXOJ-AYOQOUSVSA-N	1	0	374.485	1.916	20	30		FDEDRO
CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N[C@H](C)[C@@H](C)N1CCOCC1	ZINC000329144250	824625944	/nfs/dbraw/zinc/62/59/44/824625944.db2.gz	WDZRDCJVVYGXOA-WCVJEAGWSA-N	1	0	365.478	1.346	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)c(OC)c1	ZINC000896582445	824669671	/nfs/dbraw/zinc/66/96/71/824669671.db2.gz	WJZHYYUUHQREHZ-WBVHZDCISA-N	1	0	361.486	1.553	20	30		FDEDRO
CN(C)C(=O)[C@H]1CC[C@@H](C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)O1	ZINC000329228752	824679346	/nfs/dbraw/zinc/67/93/46/824679346.db2.gz	IVZLWJJZROWJNH-LTIDMASMSA-N	1	0	367.490	1.347	20	30		FDEDRO
CC(C)C[NH+]1CCN(C(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1	ZINC000329339010	824743105	/nfs/dbraw/zinc/74/31/05/824743105.db2.gz	NJXLSSSWKUMNEO-QGZVFWFLSA-N	1	0	365.522	1.854	20	30		FDEDRO
C[C@H](CNC(=O)N1CCCC[C@H]1c1ccnn1C)C[NH+]1CCN(C)CC1	ZINC000329347578	824748389	/nfs/dbraw/zinc/74/83/89/824748389.db2.gz	VOQLEXXFZUMURS-AEFFLSMTSA-N	1	0	362.522	1.745	20	30		FDEDRO
Cn1ncc2c1CCC[C@H]2NC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1	ZINC000329375740	824761095	/nfs/dbraw/zinc/76/10/95/824761095.db2.gz	LMQJHCRXHVQBGZ-SJLPKXTDSA-N	1	0	374.533	1.813	20	30		FDEDRO
O=C(CN1CCN(c2ccc(F)cn2)CC1)NC1CC[NH+](C2CC2)CC1	ZINC000329393048	824768503	/nfs/dbraw/zinc/76/85/03/824768503.db2.gz	SLHGVSFXGZZLCJ-UHFFFAOYSA-N	1	0	361.465	1.926	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O	ZINC000329438129	824786827	/nfs/dbraw/zinc/78/68/27/824786827.db2.gz	MHIFPEFAKDWFQJ-IUWMUCMRSA-N	1	0	363.462	1.880	20	30		FDEDRO
Cc1ccccc1CC(=O)N1CCN(C(=O)NCC[N@@H+](C)C2CC2)CC1	ZINC000329444414	824794771	/nfs/dbraw/zinc/79/47/71/824794771.db2.gz	NNOUZWKXYYHWPB-UHFFFAOYSA-N	1	0	358.486	1.690	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3cccc4c3CNC4=O)C2)CC1	ZINC000329463218	824811722	/nfs/dbraw/zinc/81/17/22/824811722.db2.gz	UHESWDYJRHFWKE-AWEZNQCLSA-N	1	0	357.458	1.762	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)CC1	ZINC000329482470	824828200	/nfs/dbraw/zinc/82/82/00/824828200.db2.gz	PXJKWNWDZOARFU-OTWHNJEPSA-N	1	0	361.534	1.237	20	30		FDEDRO
Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCOC[C@H]2C2CC2)CCC[N@@H+]1C	ZINC000329490564	824836103	/nfs/dbraw/zinc/83/61/03/824836103.db2.gz	HYCARYMPYSAUGL-RYQLBKOJSA-N	1	0	361.490	1.828	20	30		FDEDRO
CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)C1	ZINC000329527032	824853679	/nfs/dbraw/zinc/85/36/79/824853679.db2.gz	UAYMVUBKIMKVHR-DLBZAZTESA-N	1	0	365.522	1.854	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)C12CC[NH+](CC1)C2	ZINC000984783043	824895141	/nfs/dbraw/zinc/89/51/41/824895141.db2.gz	SAFWDRHPVHLQKR-GOEBONIOSA-N	1	0	355.442	1.091	20	30		FDEDRO
C[C@H](NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)c1nnc2ccccn21	ZINC000329581366	824901789	/nfs/dbraw/zinc/90/17/89/824901789.db2.gz	LHDPSYDXLGNMBR-LSDHHAIUSA-N	1	0	372.473	1.795	20	30		FDEDRO
O=C(CCC(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)NC1CCCC1	ZINC000329587568	824904233	/nfs/dbraw/zinc/90/42/33/824904233.db2.gz	XJFMHKGRJTZPBI-UHFFFAOYSA-N	1	0	367.490	1.351	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)C[N@@H+]1CC[C@@H](C)C1	ZINC000984789718	824919301	/nfs/dbraw/zinc/91/93/01/824919301.db2.gz	CEJAYKZEQISFEH-XOKHGSTOSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(-c4cccnc4)nn3)C[C@@H]2C1	ZINC001087987684	824936128	/nfs/dbraw/zinc/93/61/28/824936128.db2.gz	WCXCRVIJWDYGHI-CVEARBPZSA-N	1	0	352.442	1.632	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnc(C)n2CCC)C1	ZINC000984826650	825034258	/nfs/dbraw/zinc/03/42/58/825034258.db2.gz	YMLNZAMPLNDISZ-VQHPVUNQSA-N	1	0	361.490	1.572	20	30		FDEDRO
C=C(Cl)CN1CC[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@@H]2C1	ZINC001088012367	825239172	/nfs/dbraw/zinc/23/91/72/825239172.db2.gz	FYTGJMCZWJZZJV-SJORKVTESA-N	1	0	369.937	1.878	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C[C@@H]2C1	ZINC001088012867	825257616	/nfs/dbraw/zinc/25/76/16/825257616.db2.gz	GBBXULPLINKRCL-BARDWOONSA-N	1	0	362.392	1.689	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1CC	ZINC000984899080	825314591	/nfs/dbraw/zinc/31/45/91/825314591.db2.gz	MHWQAXPNXOCBNY-IXDOHACOSA-N	1	0	358.486	1.735	20	30		FDEDRO
Cc1c(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)cccc1N1C(=O)N[C@@H](C)C1=O	ZINC000329722115	825382104	/nfs/dbraw/zinc/38/21/04/825382104.db2.gz	NHLOSOOPDXZQAN-BBRMVZONSA-N	1	0	371.441	1.622	20	30		FDEDRO
C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CC(=O)Nc1cc(-n2cnnn2)ccc1F	ZINC000329905286	825536351	/nfs/dbraw/zinc/53/63/51/825536351.db2.gz	APWHZIRDVUAYDI-DZGCQCFKSA-N	1	0	373.436	1.948	20	30		FDEDRO
C[C@@H](CNC(=O)C1CCN(c2cnccn2)CC1)C[NH+]1CCN(C)CC1	ZINC000329910000	825541644	/nfs/dbraw/zinc/54/16/44/825541644.db2.gz	MXCAEVCPEMGDJG-INIZCTEOSA-N	1	0	360.506	1.533	20	30		FDEDRO
CC[NH+]1CCN(c2cccc(NC(=O)N3C[C@H]4OCCN(C)[C@@H]4C3)c2)CC1	ZINC000329925834	825545878	/nfs/dbraw/zinc/54/58/78/825545878.db2.gz	KCZLQNYHRSGCPV-RTBURBONSA-N	1	0	373.501	1.389	20	30		FDEDRO
Cc1c([C@@H]2[C@H](C(=O)NCC[N@H+]3CC=C(C)CC3)CC(=O)N2C)cnn1C	ZINC000329943332	825556960	/nfs/dbraw/zinc/55/69/60/825556960.db2.gz	HSPONQYNGXKMTD-QAPCUYQASA-N	1	0	359.474	1.856	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1C[C@H](F)CN1c1cccnn1	ZINC000329953445	825561549	/nfs/dbraw/zinc/56/15/49/825561549.db2.gz	NUOAQIIIJGXMSH-JYJNAYRXSA-N	1	0	364.469	1.771	20	30		FDEDRO
Cc1noc(C2CCN(C(=O)N[C@H](C)CC[NH+]3CCN(C)CC3)CC2)n1	ZINC000329952958	825562016	/nfs/dbraw/zinc/56/20/16/825562016.db2.gz	NNKGFGXXRNXJTG-CQSZACIVSA-N	1	0	364.494	1.497	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCCN3CC(F)F)C[C@@H]2C1	ZINC001088053428	825643064	/nfs/dbraw/zinc/64/30/64/825643064.db2.gz	IFIKFVIFDSDKBB-OWCLPIDISA-N	1	0	357.445	1.309	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCCN3CC3CCC3)C[C@@H]2C1	ZINC001088053596	825643937	/nfs/dbraw/zinc/64/39/37/825643937.db2.gz	PMQLNAVKJRZYEI-HSALFYBXSA-N	1	0	361.530	1.844	20	30		FDEDRO
Cn1cnc2c(c1=O)CCN(C(=O)NC1CC[NH+](C3CCCC3)CC1)C2	ZINC000330110783	825646111	/nfs/dbraw/zinc/64/61/11/825646111.db2.gz	QSRFACUITSXQJK-UHFFFAOYSA-N	1	0	359.474	1.459	20	30		FDEDRO
C[N@H+](CCO)C1CCN(C(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)CC1	ZINC000330133492	825664265	/nfs/dbraw/zinc/66/42/65/825664265.db2.gz	REYMPPIRWCFRKO-HNNXBMFYSA-N	1	0	366.506	1.223	20	30		FDEDRO
Cc1nn(C)c(C)c1[C@H]1[C@H](NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC(=O)N1C	ZINC000330174901	825706389	/nfs/dbraw/zinc/70/63/89/825706389.db2.gz	IQIMDAIGALWDKJ-IIDMSEBBSA-N	1	0	374.489	1.003	20	30		FDEDRO
COCCC(=O)N1CCC(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1	ZINC000330188972	825711629	/nfs/dbraw/zinc/71/16/29/825711629.db2.gz	UVQYCSCWAOTYOL-KRWDZBQOSA-N	1	0	366.506	1.488	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@H]1CCCN(c2ccccc2F)C1)=[NH+]C1CC1	ZINC000262352674	825735632	/nfs/dbraw/zinc/73/56/32/825735632.db2.gz	ZCYDYNXRVWHNIO-HNNXBMFYSA-N	1	0	361.465	1.580	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)CC(C)C)C[C@@H]3C2)CC1	ZINC000985658284	828822063	/nfs/dbraw/zinc/82/20/63/828822063.db2.gz	DNCBSGMOLXPIKH-MOPGFXCFSA-N	1	0	359.514	1.685	20	30		FDEDRO
C#CCN(CC#N)CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1	ZINC000281264528	825922830	/nfs/dbraw/zinc/92/28/30/825922830.db2.gz	FMWGBFNTUDKNEQ-FQEVSTJZSA-N	1	0	368.481	1.797	20	30		FDEDRO
CC(C)C(=O)N1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1	ZINC000330308631	825865709	/nfs/dbraw/zinc/86/57/09/825865709.db2.gz	MISBDQKWQSHYKC-IAGOWNOFSA-N	1	0	366.506	1.078	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1	ZINC000330323179	825915861	/nfs/dbraw/zinc/91/58/61/825915861.db2.gz	SVQMKNVYYWCXFL-MDZRGWNJSA-N	1	0	367.490	1.424	20	30		FDEDRO
CN1C(=O)CC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)CC[C@@H]2C1	ZINC001088071613	825937186	/nfs/dbraw/zinc/93/71/86/825937186.db2.gz	PTQBDLVJJHWZDW-QYZOEREBSA-N	1	0	366.465	1.459	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4[C@@H]5COC[C@@H]54)C[C@@H]3C2)cc1	ZINC001088073144	825973644	/nfs/dbraw/zinc/97/36/44/825973644.db2.gz	PIEJFCAGXSUSCX-RMMWZPCPSA-N	1	0	351.450	1.731	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3nc(C)c[nH]3)[C@@H]2CC)CC1	ZINC000984990073	826017486	/nfs/dbraw/zinc/01/74/86/826017486.db2.gz	XJOCVLAUXYLVDE-DLBZAZTESA-N	1	0	371.485	1.173	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN(C(C)(C)C)C3=O)C[C@@H]2C1	ZINC001088077340	826065991	/nfs/dbraw/zinc/06/59/91/826065991.db2.gz	UUMWIIFOPNISOY-FGTMMUONSA-N	1	0	359.514	1.827	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@]2(CO)CCOc3ccccc32)cc1	ZINC000281689267	826156931	/nfs/dbraw/zinc/15/69/31/826156931.db2.gz	MYYBIVPGGWQPHW-UZLBHIALSA-N	1	0	354.406	1.558	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1	ZINC000281768710	826233390	/nfs/dbraw/zinc/23/33/90/826233390.db2.gz	LVOTZNZODFIRIJ-BBRMVZONSA-N	1	0	355.398	1.303	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CCc4cn[nH]n4)C[C@@H]3C2)s1	ZINC001088112142	826444460	/nfs/dbraw/zinc/44/44/60/826444460.db2.gz	OVCJAGGINPDQPZ-KGLIPLIRSA-N	1	0	370.482	1.651	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4(CF)CCC4)C[C@@H]3C2)C1=O	ZINC001088112777	826444894	/nfs/dbraw/zinc/44/48/94/826444894.db2.gz	XDBIWHCMABDPEV-IKGGRYGDSA-N	1	0	363.477	1.693	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4(CF)CCC4)C[C@@H]3C2)C1=O	ZINC001088112778	826444992	/nfs/dbraw/zinc/44/49/92/826444992.db2.gz	XDBIWHCMABDPEV-IXDOHACOSA-N	1	0	363.477	1.693	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cc(C)ncn3)CC[C@@H]2C1	ZINC001088112984	826445395	/nfs/dbraw/zinc/44/53/95/826445395.db2.gz	IJGSBHVRRBKKKQ-JFRXWTBNSA-N	1	0	356.470	1.656	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4cc(C)no4)CC[C@@H]3C2)nn1	ZINC001088132712	826570330	/nfs/dbraw/zinc/57/03/30/826570330.db2.gz	CKJZSADODFDDCV-CABCVRRESA-N	1	0	356.430	1.355	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4cncn4C)CC[C@@H]3C2)nn1	ZINC001088135334	826588136	/nfs/dbraw/zinc/58/81/36/826588136.db2.gz	GWIDVGZEHPYDEU-CVEARBPZSA-N	1	0	369.473	1.182	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCn3cccn3)CC[C@@H]2C1	ZINC001088136910	826608933	/nfs/dbraw/zinc/60/89/33/826608933.db2.gz	NPFPMVOOWPPWQV-XWSJACJDSA-N	1	0	358.486	1.645	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)C[C@@H]2C1	ZINC001088138199	826621530	/nfs/dbraw/zinc/62/15/30/826621530.db2.gz	YMLBDMKGWZBWJU-AKHDSKFASA-N	1	0	356.470	1.092	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)[C@H]2CC)nc1	ZINC000985166636	826659613	/nfs/dbraw/zinc/65/96/13/826659613.db2.gz	LDSBWYVDXXKQAS-ZIFCJYIRSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2CC)cc1	ZINC000985166242	826677014	/nfs/dbraw/zinc/67/70/14/826677014.db2.gz	QOMMGFZNOAIERG-RBUKOAKNSA-N	1	0	365.477	1.873	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4ncc[nH]4)C[C@@H]3C2)cc1F	ZINC001088152023	826804845	/nfs/dbraw/zinc/80/48/45/826804845.db2.gz	IPVVVDUFPCXDKD-SJORKVTESA-N	1	0	367.428	1.943	20	30		FDEDRO
N#Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4nnc[nH]4)C[C@@H]3C2)ccc1F	ZINC001088165078	826942704	/nfs/dbraw/zinc/94/27/04/826942704.db2.gz	MQBQDVCBXXEMPJ-ZBFHGGJFSA-N	1	0	368.416	1.338	20	30		FDEDRO
O=C(Cc1nnc[nH]1)N1C[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)CC[C@@H]2C1	ZINC001088165118	826943872	/nfs/dbraw/zinc/94/38/72/826943872.db2.gz	PAZWRSMQOCONOC-SJORKVTESA-N	1	0	367.428	1.318	20	30		FDEDRO
C[NH+]=C(N[C@@H]1C[C@@H]1Cc1ccccc1)N1CC[C@@H](CN2CCOCC2)C1	ZINC000262445282	826945738	/nfs/dbraw/zinc/94/57/38/826945738.db2.gz	VDNFTHUJIVPWML-SLFFLAALSA-N	1	0	356.514	1.847	20	30		FDEDRO
C[C@H]1CC[N@H+](C)CCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000508652269	833142875	/nfs/dbraw/zinc/14/28/75/833142875.db2.gz	IDDLXCMDPIJFON-YJBOKZPZSA-N	1	0	369.469	1.789	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2[C@@H](CNC(=O)OC(C)(C)C)C2(F)F)CC1	ZINC000928660229	827155281	/nfs/dbraw/zinc/15/52/81/827155281.db2.gz	MOZMXUJFWWJRSS-ZIAGYGMSSA-N	1	0	371.428	1.606	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2ccncc2C#N)CC[N@@H+]1C	ZINC001059515589	827185163	/nfs/dbraw/zinc/18/51/63/827185163.db2.gz	HOAKAIYTRYVDKR-POGJWJPPSA-N	1	0	353.470	1.909	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4cnc(C)nc4)CC[C@@H]3C2)cn1	ZINC001088175082	827223483	/nfs/dbraw/zinc/22/34/83/827223483.db2.gz	DOSQHRNEWVJCFG-MOPGFXCFSA-N	1	0	361.449	1.755	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4nccnc4C)CC[C@@H]3C2)cn1	ZINC001088175246	827224688	/nfs/dbraw/zinc/22/46/88/827224688.db2.gz	MFUHAUZCZOWVBQ-MSOLQXFVSA-N	1	0	361.449	1.755	20	30		FDEDRO
N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC(=O)N4)C[C@@H]3C2)c1	ZINC001088176967	827274936	/nfs/dbraw/zinc/27/49/36/827274936.db2.gz	YRZSHRKJMHGZQG-HFTRVMKXSA-N	1	0	370.428	1.256	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C[C@@H]2C1	ZINC001088196340	827408088	/nfs/dbraw/zinc/40/80/88/827408088.db2.gz	CBFWVOZYJYIRRG-KURKYZTESA-N	1	0	357.498	1.581	20	30		FDEDRO
C[NH+]=C(NCCc1cn2c(n1)CCCC2)N1CC[C@H]([NH+]2CCCCC2)C1	ZINC000262487688	827424847	/nfs/dbraw/zinc/42/48/47/827424847.db2.gz	TWHVIKCRZPEBRW-SFHVURJKSA-N	1	0	358.534	1.898	20	30		FDEDRO
C[C@H](C(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@H]1C)[NH+]1CCCCCC1	ZINC000987541671	833210965	/nfs/dbraw/zinc/21/09/65/833210965.db2.gz	LHMNHKWGDQKGBJ-INMHGKMJSA-N	1	0	371.485	1.870	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1	ZINC001088235320	827605108	/nfs/dbraw/zinc/60/51/08/827605108.db2.gz	PBILMUIWEWVXPJ-YQPXSLGVSA-N	1	0	372.509	1.763	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CCC([N@H+](C)Cc3ccccc3C#N)CC2)O1	ZINC000985493333	828019251	/nfs/dbraw/zinc/01/92/51/828019251.db2.gz	UIKUBHLTOKORQO-OXQOHEQNSA-N	1	0	370.497	1.700	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)[C@H]2CC)cn1	ZINC000985492367	828021090	/nfs/dbraw/zinc/02/10/90/828021090.db2.gz	DRZXZRHJFPNCBK-ZYSHUDEJSA-N	1	0	368.481	1.657	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@H](C)COc1ccccc1OC	ZINC000305708531	828081523	/nfs/dbraw/zinc/08/15/23/828081523.db2.gz	WVVUTOXKPDVQNS-INIZCTEOSA-N	1	0	364.490	1.207	20	30		FDEDRO
Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]([C@H](C)C(=O)NC3(C#N)CCC3)C2)n1	ZINC000527297763	829022284	/nfs/dbraw/zinc/02/22/84/829022284.db2.gz	QJDHXJCEGKHAFI-HZPDHXFCSA-N	1	0	369.469	1.992	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCC1)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000527298545	829023576	/nfs/dbraw/zinc/02/35/76/829023576.db2.gz	YBUYYXHJSUVHAP-KSZLIROESA-N	1	0	361.534	1.428	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H]3CCN(C(=O)C[C@@H]4CCNC4=O)[C@@H]3C2)c(F)c1	ZINC001075875321	829062871	/nfs/dbraw/zinc/06/28/71/829062871.db2.gz	ZEKMPQHBFQJZLD-QILLFSRXSA-N	1	0	370.428	1.256	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)c1c2n(c(=O)n1C)CCCC2)C(C)C	ZINC000448973739	829318106	/nfs/dbraw/zinc/31/81/06/829318106.db2.gz	FDSOABLPFSNKKA-QGZVFWFLSA-N	1	0	360.502	1.952	20	30		FDEDRO
CC(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2C#N)C1	ZINC000528369172	829373859	/nfs/dbraw/zinc/37/38/59/829373859.db2.gz	SFUGZMRKNMDVKC-WMZOPIPTSA-N	1	0	359.470	1.782	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(N2CCCNC2=O)CC1	ZINC000528417884	829396160	/nfs/dbraw/zinc/39/61/60/829396160.db2.gz	AFXXILXGMNBUGA-KRWDZBQOSA-N	1	0	358.442	1.178	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(OC[C@@H]2CCOC2)CC1	ZINC000528426823	829405554	/nfs/dbraw/zinc/40/55/54/829405554.db2.gz	HKIRUZRMWNBRRM-SJLPKXTDSA-N	1	0	360.454	1.815	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C#N)C[C@]2(CCO[C@H](C)C2)O1	ZINC000528492017	829432413	/nfs/dbraw/zinc/43/24/13/829432413.db2.gz	WOOMKSBIHNYLLV-ZTRFORPCSA-N	1	0	360.454	1.956	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]Cc2cn(C)nn2)C1	ZINC001088397647	829463613	/nfs/dbraw/zinc/46/36/13/829463613.db2.gz	NJNPWWRHPXYGIZ-NJAFHUGGSA-N	1	0	361.490	1.657	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@H+]2CC3(CCOCC3)CC[C@@H]2CO)cc1	ZINC000528641584	829481685	/nfs/dbraw/zinc/48/16/85/829481685.db2.gz	ULTBPWUCDKTUCS-RTBURBONSA-N	1	0	374.481	1.746	20	30		FDEDRO
N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc2nccnc2c1Br	ZINC000841237160	829534063	/nfs/dbraw/zinc/53/40/63/829534063.db2.gz	GYGBLYCAPJMESF-KCJUWKMLSA-N	1	0	361.203	1.625	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CC(F)(F)F)C[C@@H]2C1	ZINC000985804092	829656330	/nfs/dbraw/zinc/65/63/30/829656330.db2.gz	KXQZQRUPBLNBIX-ILXRZTDVSA-N	1	0	371.403	1.343	20	30		FDEDRO
C[C@H]1C[C@@]1(C#N)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1	ZINC000449914180	829725067	/nfs/dbraw/zinc/72/50/67/829725067.db2.gz	TYYRAMGTLLLRKV-JXFKEZNVSA-N	1	0	356.470	1.825	20	30		FDEDRO
Cn1c(C#N)ccc1C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1	ZINC000449986026	829743849	/nfs/dbraw/zinc/74/38/49/829743849.db2.gz	FWPKQKJEYUEELI-UHFFFAOYSA-N	1	0	367.453	1.775	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](O)COc1ccc(C(=O)OC)cc1OC	ZINC000451683204	830427470	/nfs/dbraw/zinc/42/74/70/830427470.db2.gz	TZWOTAREPNPRDI-OAGGEKHMSA-N	1	0	365.426	1.545	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3CCCC[N@H+]3CCO)cc2C1=O	ZINC000452395095	830645415	/nfs/dbraw/zinc/64/54/15/830645415.db2.gz	WBHBXPVSAMMGOR-HNNXBMFYSA-N	1	0	371.437	1.045	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	ZINC000531442301	830746104	/nfs/dbraw/zinc/74/61/04/830746104.db2.gz	GSMHYSBQZROVQC-QRVBRYPASA-N	1	0	355.486	1.714	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C2CCN(C(N)=O)CC2)C[C@H]1C(F)(F)F	ZINC001112203676	830868845	/nfs/dbraw/zinc/86/88/45/830868845.db2.gz	DOUOMBFELDJWOR-CHWSQXEVSA-N	1	0	362.396	1.332	20	30		FDEDRO
C=CCn1c(-c2nnn(C)c2C)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1	ZINC000453429416	830934706	/nfs/dbraw/zinc/93/47/06/830934706.db2.gz	RGANOLPSKGQWML-HNNXBMFYSA-N	1	0	358.494	1.736	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1	ZINC000453568043	830946449	/nfs/dbraw/zinc/94/64/49/830946449.db2.gz	IMCVXXCCDKGBBB-KRWDZBQOSA-N	1	0	358.442	1.278	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1	ZINC000453587770	830959055	/nfs/dbraw/zinc/95/90/55/830959055.db2.gz	LBCIHPBSOHYTET-GASCZTMLSA-N	1	0	358.442	1.421	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN2CC[C@H](NC(=O)[C@@H]3CCOC3)[C@H]2C)c1	ZINC001088487538	831321433	/nfs/dbraw/zinc/32/14/33/831321433.db2.gz	DBEZMSNXVCQNTN-KYJSFNMBSA-N	1	0	355.438	1.222	20	30		FDEDRO
C[NH+]1CCN(c2ccnc(-c3noc([C@@]4(C#N)CCCOC4)n3)c2)CC1	ZINC000866939391	831412385	/nfs/dbraw/zinc/41/23/85/831412385.db2.gz	HRAWZBXBPKNSMN-GOSISDBHSA-N	1	0	354.414	1.455	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@H]3C2)cc1	ZINC000986469907	831729434	/nfs/dbraw/zinc/72/94/34/831729434.db2.gz	CQDHDQGCGCGBLP-AQNXPRMDSA-N	1	0	365.477	1.540	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CN(C(=O)[C@H](CC)[NH+](C)C)CC[C@@H]3C2)cn1	ZINC000986460775	831747833	/nfs/dbraw/zinc/74/78/33/831747833.db2.gz	UBZCQFXNLRCGNF-AOIWGVFYSA-N	1	0	368.481	1.324	20	30		FDEDRO
C#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC001105430781	831865476	/nfs/dbraw/zinc/86/54/76/831865476.db2.gz	FLZMSVQTWOKMCO-GPOTWBHZSA-N	1	0	350.462	1.849	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)C(C)C)C[C@H]1C(F)(F)F	ZINC001112207809	831945160	/nfs/dbraw/zinc/94/51/60/831945160.db2.gz	HOSOLLCYQJDVBD-CHWSQXEVSA-N	1	0	370.437	1.755	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@@H]2C1	ZINC000986594059	832006166	/nfs/dbraw/zinc/00/61/66/832006166.db2.gz	GVIUWDUKNXIWLG-LZQZEXGQSA-N	1	0	368.481	1.828	20	30		FDEDRO
C=CCCOCC(=O)NCC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001059732196	832049389	/nfs/dbraw/zinc/04/93/89/832049389.db2.gz	MDOZSVBGPOJUTE-IXDOHACOSA-N	1	0	351.491	1.274	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CCNC(=O)CSCC#N)C2)CC[N@@H+]1C	ZINC001059732512	832064320	/nfs/dbraw/zinc/06/43/20/832064320.db2.gz	RWKCWRDIITVUNG-OWCLPIDISA-N	1	0	366.531	1.328	20	30		FDEDRO
C[C@@H]1C[NH+]=C(NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)N1	ZINC000263062194	832295876	/nfs/dbraw/zinc/29/58/76/832295876.db2.gz	FPULQIANHLGVQM-QGZVFWFLSA-N	1	0	357.502	1.295	20	30		FDEDRO
[NH2+]=C(NCCN1C[C@H]2CC[C@@H](C1)O2)N1CCN(c2ccc(F)cc2)CC1	ZINC000263063130	832296250	/nfs/dbraw/zinc/29/62/50/832296250.db2.gz	FTIMQBFEHYOTRK-HDICACEKSA-N	1	0	361.465	1.126	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC[C@H]2CCOC2)C1	ZINC001112216363	832377415	/nfs/dbraw/zinc/37/74/15/832377415.db2.gz	YXZAYUWSNIQNAJ-RRFJBIMHSA-N	1	0	364.408	1.985	20	30		FDEDRO
COc1cccc([C@@H](O)C[N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C)c1	ZINC001088529532	832460398	/nfs/dbraw/zinc/46/03/98/832460398.db2.gz	AQOCSIMHJBJIFK-FMEYXAORSA-N	1	0	368.437	1.821	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(CC)C3=O)C[C@H]21	ZINC001075885273	832518223	/nfs/dbraw/zinc/51/82/23/832518223.db2.gz	OONRWZDRJLXDHR-RYQLBKOJSA-N	1	0	356.470	1.441	20	30		FDEDRO
CNC(=O)CNC(=S)NN=C1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1	ZINC000841622872	832549521	/nfs/dbraw/zinc/54/95/21/832549521.db2.gz	FUYKSPFBPDLBHQ-MRXNPFEDSA-N	1	0	359.499	1.552	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)ccn2)C[C@H]1C(F)(F)F	ZINC001112220459	832551141	/nfs/dbraw/zinc/55/11/41/832551141.db2.gz	BDZZIYDHTRDKBZ-DGCLKSJQSA-N	1	0	356.348	1.349	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)[C@H]2C)cn1	ZINC000988846701	837696684	/nfs/dbraw/zinc/69/66/84/837696684.db2.gz	XADZSXCKMJOHPF-JLSDUUJJSA-N	1	0	354.454	1.266	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)[C@H]2C)cn1	ZINC000988846700	837696934	/nfs/dbraw/zinc/69/69/34/837696934.db2.gz	XADZSXCKMJOHPF-FHLIZLRMSA-N	1	0	354.454	1.266	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)[C@H]2C)cn1	ZINC000987951377	833835527	/nfs/dbraw/zinc/83/55/27/833835527.db2.gz	CRUVHCSZYPUDTM-BEFAXECRSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=CCOCCCNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000666519884	833898506	/nfs/dbraw/zinc/89/85/06/833898506.db2.gz	XKFJAESSBWSEFW-OALUTQOASA-N	1	0	361.486	1.761	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@H](CN(C)C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000988030004	833947813	/nfs/dbraw/zinc/94/78/13/833947813.db2.gz	DVXLAFNXAMVFKX-IJEWVQPXSA-N	1	0	357.458	1.147	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H]2COC3(CCCCC3)O2)CC1	ZINC000305783284	834573783	/nfs/dbraw/zinc/57/37/83/834573783.db2.gz	WADNJPRQXLCUGJ-OAHLLOKOSA-N	1	0	368.478	1.587	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CN(C)C(=O)C2CC[NH+](C)CC2)C1	ZINC000988357590	834579204	/nfs/dbraw/zinc/57/92/04/834579204.db2.gz	COSNFIDGVBUGRQ-NXHRZFHOSA-N	1	0	363.502	1.226	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1	ZINC000454112543	834602866	/nfs/dbraw/zinc/60/28/66/834602866.db2.gz	VNDBVUNFZMMFNL-OAHLLOKOSA-N	1	0	358.442	1.837	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(Cc2c(C)nnn2CC)[C@@H]1C	ZINC001088575983	835032278	/nfs/dbraw/zinc/03/22/78/835032278.db2.gz	QHGYDDJBNINBJI-CBZIJGRNSA-N	1	0	361.490	1.667	20	30		FDEDRO
Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C2)nc1	ZINC000245440523	835345667	/nfs/dbraw/zinc/34/56/67/835345667.db2.gz	UPBCEOUBAHXMMP-HZPDHXFCSA-N	1	0	357.458	1.801	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3CCC)[C@H]2C)nc1	ZINC000988496404	835570686	/nfs/dbraw/zinc/57/06/86/835570686.db2.gz	ILSLOERXIYCAMA-AYBZRNKSSA-N	1	0	368.481	1.657	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)n(CCC#N)n1	ZINC000532995663	835612687	/nfs/dbraw/zinc/61/26/87/835612687.db2.gz	LXNXKYDWVMTMPK-UHFFFAOYSA-N	1	0	360.462	1.377	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)C3CC(C)(C)C3)[C@@H]2C)CC1	ZINC000988506165	835657123	/nfs/dbraw/zinc/65/71/23/835657123.db2.gz	JIRPTVDTRZNMGX-QAPCUYQASA-N	1	0	359.514	1.873	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3c(C)coc3C)[C@@H]2C)CC1	ZINC000988506701	835660138	/nfs/dbraw/zinc/66/01/38/835660138.db2.gz	NEUSBQWTQZUMKE-QAPCUYQASA-N	1	0	371.481	1.961	20	30		FDEDRO
N#Cc1cccnc1-n1cc(NC(=O)NC[C@H]2CCC[N@H+]2CCCO)cn1	ZINC000455145983	835921864	/nfs/dbraw/zinc/92/18/64/835921864.db2.gz	OWBDEOOKDKMTGI-MRXNPFEDSA-N	1	0	369.429	1.107	20	30		FDEDRO
CNS(=O)(=O)c1cccc(NC(=O)C[NH2+]Cc2cccc(C#N)c2)c1	ZINC000729687020	835945697	/nfs/dbraw/zinc/94/56/97/835945697.db2.gz	WFKVVGFPBUWLEG-UHFFFAOYSA-N	1	0	358.423	1.195	20	30		FDEDRO
CCN1C[C@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)CC1=O	ZINC001088602725	835961668	/nfs/dbraw/zinc/96/16/68/835961668.db2.gz	PGGKDZNIPFFNST-OLMNPRSZSA-N	1	0	354.454	1.506	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3ccnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105668970	844115033	/nfs/dbraw/zinc/11/50/33/844115033.db2.gz	NMMZWEZXFOSEBS-JYBIWHBTSA-N	1	0	360.502	1.734	20	30		FDEDRO
C=CCN(C(=O)NC[C@H](C)[NH+](C)C)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000455424385	836052403	/nfs/dbraw/zinc/05/24/03/836052403.db2.gz	BCXSLYMAHCRIGN-LSDHHAIUSA-N	1	0	357.462	1.871	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[N@@H+](CCOCCOc2ccccc2)C[C@H]1OC	ZINC001211996962	836074380	/nfs/dbraw/zinc/07/43/80/836074380.db2.gz	AEIWTLLGSWSFHR-RTBURBONSA-N	1	0	362.470	1.864	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](CCOC2CCCCCC2)C[C@H]1OC	ZINC001212033254	836322185	/nfs/dbraw/zinc/32/21/85/836322185.db2.gz	DHPVWRIMUMZAJL-QZTJIDSGSA-N	1	0	354.491	1.744	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CC2(Cl)Cl)C[C@H]1OC	ZINC001212031987	836344576	/nfs/dbraw/zinc/34/45/76/836344576.db2.gz	DRXLAEMHFUPBOV-JHJVBQTASA-N	1	0	351.274	1.588	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC000988747292	836968298	/nfs/dbraw/zinc/96/82/98/836968298.db2.gz	TZAUFAMJSJGEFR-PBHICJAKSA-N	1	0	369.469	1.482	20	30		FDEDRO
CN1CC[C@H](CC(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1=O	ZINC001075920754	837047530	/nfs/dbraw/zinc/04/75/30/837047530.db2.gz	SZEUYDRKJRYQEQ-CEXWTWQISA-N	1	0	366.465	1.459	20	30		FDEDRO
C=CCN1CCN(C)C2(CC[NH+]([C@H]3Cc4ccc(OC)cc4C3)CC2)C1=O	ZINC001168272386	837075448	/nfs/dbraw/zinc/07/54/48/837075448.db2.gz	MDBXHNAURHPSSC-IBGZPJMESA-N	1	0	369.509	1.957	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](CCc2cnn(CC)c2)C[C@H]1OC	ZINC001212092751	837107914	/nfs/dbraw/zinc/10/79/14/837107914.db2.gz	PFELRERWFHAHHT-QZTJIDSGSA-N	1	0	364.490	1.244	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](OC)C2CCCC2)C[C@H]1OC	ZINC001212092813	837108105	/nfs/dbraw/zinc/10/81/05/837108105.db2.gz	SHECWYJBGVWNSJ-GUDVDZBRSA-N	1	0	368.518	1.990	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105669471	844248229	/nfs/dbraw/zinc/24/82/29/844248229.db2.gz	RUNYOCMHKUAMLE-WWNBULGVSA-N	1	0	350.503	1.648	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1C	ZINC000988949677	837980012	/nfs/dbraw/zinc/98/00/12/837980012.db2.gz	GGAFVHIHGCMRBR-ZSGPHXLJSA-N	1	0	368.437	1.645	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)Cn2cc(C3CC3)nn2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088620482	838151804	/nfs/dbraw/zinc/15/18/04/838151804.db2.gz	MXPQUPHLQGGBOX-KDOFPFPSSA-N	1	0	364.453	1.806	20	30		FDEDRO
C=CCNC(=O)C[NH2+]Cc1ccc(O[C@H](C)C(=O)N(C)C)c(OCC)c1	ZINC000271996098	838420981	/nfs/dbraw/zinc/42/09/81/838420981.db2.gz	MZSXKBLSKZKOQO-CQSZACIVSA-N	1	0	363.458	1.333	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc3n(n2)CCO3)CCN1CC#Cc1ccccc1	ZINC001088625046	838552336	/nfs/dbraw/zinc/55/23/36/838552336.db2.gz	OQVBVXDGSZCUBB-WBVHZDCISA-N	1	0	350.422	1.520	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cnc3n[nH]nc3c2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088625517	838560961	/nfs/dbraw/zinc/56/09/61/838560961.db2.gz	OOINKZONYQKCKF-WBMJQRKESA-N	1	0	361.409	1.617	20	30		FDEDRO
Cn1nccc1[C@@H](CO)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000459765146	838941169	/nfs/dbraw/zinc/94/11/69/838941169.db2.gz	ZXLKCFLEJBYLRW-CQSZACIVSA-N	1	0	373.482	1.884	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1C#N	ZINC000460129156	839322270	/nfs/dbraw/zinc/32/22/70/839322270.db2.gz	IAJRVKTWQQUURP-HUUCEWRRSA-N	1	0	374.514	1.782	20	30		FDEDRO
COc1ccc(CNC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1C#N	ZINC000841863286	839458731	/nfs/dbraw/zinc/45/87/31/839458731.db2.gz	NTBIDTCKQJWTSA-PKOBYXMFSA-N	1	0	372.469	1.995	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN(c3cncc(C#N)n3)C2)CC[N@@H+]1C	ZINC001059968331	839517993	/nfs/dbraw/zinc/51/79/93/839517993.db2.gz	BEXIDLGMYHJNOX-HYVNUMGLSA-N	1	0	356.474	1.411	20	30		FDEDRO
Cc1cc(N2CCC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C#N)cn1	ZINC001059968687	839538174	/nfs/dbraw/zinc/53/81/74/839538174.db2.gz	MWRBOICXBLDZIM-SOLBZPMBSA-N	1	0	355.486	1.935	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN(c3nccnc3C#N)C2)CC[N@@H+]1C	ZINC001059969041	839550600	/nfs/dbraw/zinc/55/06/00/839550600.db2.gz	YTOCXOWPVBZKHC-YQQAZPJKSA-N	1	0	356.474	1.411	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccn(C)c(=O)c2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088671994	839557660	/nfs/dbraw/zinc/55/76/60/839557660.db2.gz	ILOGJFULOASKOT-KDOFPFPSSA-N	1	0	350.422	1.650	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105585421	839994462	/nfs/dbraw/zinc/99/44/62/839994462.db2.gz	PCZKZIUZVYBOOJ-XNFNUYLZSA-N	1	0	363.502	1.055	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105587996	840034789	/nfs/dbraw/zinc/03/47/89/840034789.db2.gz	PWHHCNVXZTYRRA-FPAYPSAMSA-N	1	0	354.491	1.192	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105585894	840044046	/nfs/dbraw/zinc/04/40/46/840044046.db2.gz	YAQFNQRMLPOIHB-JYBIWHBTSA-N	1	0	350.503	1.955	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CSC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105590701	840128275	/nfs/dbraw/zinc/12/82/75/840128275.db2.gz	MLZQQMUROKHFHM-JOCBIADPSA-N	1	0	356.532	1.518	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2c3ccccc3CC[C@@H]2F)CC1	ZINC000897674695	840217702	/nfs/dbraw/zinc/21/77/02/840217702.db2.gz	DSWUCMLDVGXDLS-ROUUACIJSA-N	1	0	359.445	1.895	20	30		FDEDRO
N#CCOc1ccc(CC(=O)N2CCC(CO)([NH2+]CC3CC3)CC2)cc1	ZINC000898118800	840786726	/nfs/dbraw/zinc/78/67/26/840786726.db2.gz	WTOIBYIQTKZPLG-UHFFFAOYSA-N	1	0	357.454	1.485	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)NCC2(C#N)CCCCC2)CCN1c1cc[nH+]cc1	ZINC000898124535	840795836	/nfs/dbraw/zinc/79/58/36/840795836.db2.gz	CKEZETKSSSFBST-INIZCTEOSA-N	1	0	369.469	1.709	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(C)C(C)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105601059	841012492	/nfs/dbraw/zinc/01/24/92/841012492.db2.gz	RGWJZDAGLBRQOK-PSBWJHGTSA-N	1	0	351.491	1.007	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CNC(=O)C3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105603525	841163226	/nfs/dbraw/zinc/16/32/26/841163226.db2.gz	LDUQZIPCFSSQKM-CIWUYKSXSA-N	1	0	363.502	1.055	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CNC(=O)C3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105604523	841184552	/nfs/dbraw/zinc/18/45/52/841184552.db2.gz	UNERHHYSGABCMJ-QQTQMKHKSA-N	1	0	363.502	1.055	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105604574	841184835	/nfs/dbraw/zinc/18/48/35/841184835.db2.gz	VXYXCVSHUMAZCL-IZBJGVDFSA-N	1	0	366.502	1.029	20	30		FDEDRO
C=CCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccnn3C)C2)[C@H]1C(C)C	ZINC001105606914	841217612	/nfs/dbraw/zinc/21/76/12/841217612.db2.gz	IMMKQQIPOFBSJA-LFGUQSLTSA-N	1	0	360.502	1.852	20	30		FDEDRO
C=CCCC(=O)N1C[C@]2(C[C@@H](O)[C@H](NCc3csnn3)C2)[C@@H]1C(C)C	ZINC001105607445	841226037	/nfs/dbraw/zinc/22/60/37/841226037.db2.gz	RQSMEJWIYDRDDN-LMSBXDPUSA-N	1	0	364.515	1.970	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)COC3CCCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105607894	841237606	/nfs/dbraw/zinc/23/76/06/841237606.db2.gz	ZNEOXNSOMUUHOD-VURPSTOHSA-N	1	0	362.514	1.935	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C)c1	ZINC000989801674	841471970	/nfs/dbraw/zinc/47/19/70/841471970.db2.gz	UHHAQCHJTXCVNZ-APWZRJJASA-N	1	0	368.481	1.514	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3n[nH]c(C)c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105610377	841640652	/nfs/dbraw/zinc/64/06/52/841640652.db2.gz	KEWQJWSTBIPEKV-CIWUYKSXSA-N	1	0	358.486	1.630	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)[C@H]2C)cc1	ZINC000990003737	841790014	/nfs/dbraw/zinc/79/00/14/841790014.db2.gz	ZKCLNVVSJBHTPM-MDZRGWNJSA-N	1	0	353.466	1.871	20	30		FDEDRO
C=CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000669057084	861237167	/nfs/dbraw/zinc/23/71/67/861237167.db2.gz	GXOYBOCJBKUAGE-MRXNPFEDSA-N	1	0	359.478	1.412	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@@H]1C	ZINC000990124678	841894146	/nfs/dbraw/zinc/89/41/46/841894146.db2.gz	QIKASJLKACNFTD-ZSGPHXLJSA-N	1	0	368.437	1.645	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccncc3F)[C@@H]2C(C)C)C[C@H]1O	ZINC001105611550	841897257	/nfs/dbraw/zinc/89/72/57/841897257.db2.gz	SLKYEVWUYIBVEV-SOAMZJECSA-N	1	0	359.445	1.824	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(N)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105611914	841920381	/nfs/dbraw/zinc/92/03/81/841920381.db2.gz	WINPQFSAMZSORM-YKCBXCCJSA-N	1	0	365.518	1.574	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cc[nH]n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105612326	842030573	/nfs/dbraw/zinc/03/05/73/842030573.db2.gz	ZQZRQWKWZLWIEQ-HNBVOPMISA-N	1	0	360.502	1.885	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3oc(C)nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105615015	842228693	/nfs/dbraw/zinc/22/86/93/842228693.db2.gz	NIXRRZPAEABHRV-QQTQMKHKSA-N	1	0	359.470	1.894	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@H]1C(C)C	ZINC001105619029	842234926	/nfs/dbraw/zinc/23/49/26/842234926.db2.gz	DTUSIDNWXJSOER-HNBVOPMISA-N	1	0	350.503	1.793	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105619354	842236916	/nfs/dbraw/zinc/23/69/16/842236916.db2.gz	JMPWMOFNYSQSQZ-LBKNJMOBSA-N	1	0	360.502	1.966	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3OCCCO3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619609	842238314	/nfs/dbraw/zinc/23/83/14/842238314.db2.gz	OJZWKCWTHRJQQC-SMOSDQRPSA-N	1	0	366.502	1.682	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C#N)[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105619808	842239542	/nfs/dbraw/zinc/23/95/42/842239542.db2.gz	REQIUEAKQVHOMN-XSYGEPLQSA-N	1	0	354.454	1.489	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(F)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619839	842240233	/nfs/dbraw/zinc/24/02/33/842240233.db2.gz	RSHKKEBJRWGFKB-SOAMZJECSA-N	1	0	359.445	1.824	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(F)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105620033	842241175	/nfs/dbraw/zinc/24/11/75/842241175.db2.gz	VLRDWBQRJLIACI-FTEYMNFISA-N	1	0	359.445	1.824	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnnc(C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619986	842241397	/nfs/dbraw/zinc/24/13/97/842241397.db2.gz	UYIWKMTYQFIMKM-MLYOOKFZSA-N	1	0	356.470	1.388	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc[nH]c(=O)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105620257	842242429	/nfs/dbraw/zinc/24/24/29/842242429.db2.gz	YWYXXOVRRFXWAH-CIWUYKSXSA-N	1	0	359.470	1.943	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc[nH]c(=O)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105620258	842242972	/nfs/dbraw/zinc/24/29/72/842242972.db2.gz	YWYXXOVRRFXWAH-HBXLWWENSA-N	1	0	359.470	1.943	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nccc(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105622590	842248104	/nfs/dbraw/zinc/24/81/04/842248104.db2.gz	DHHJXTDHMBFRTL-PDOICOKGSA-N	1	0	356.470	1.388	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnnn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105623201	842251003	/nfs/dbraw/zinc/25/10/03/842251003.db2.gz	OBYTXUPTVBPHRL-VYCZESIESA-N	1	0	361.490	1.361	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCOC)C2)[C@H]1C(C)C	ZINC001105623282	842251875	/nfs/dbraw/zinc/25/18/75/842251875.db2.gz	OYEMTTCKLRETEZ-HNBVOPMISA-N	1	0	350.503	1.793	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(C)C)C2)[C@H]1C(C)C	ZINC001105631429	842264163	/nfs/dbraw/zinc/26/41/63/842264163.db2.gz	BXOZNAVZRFLINF-HNBVOPMISA-N	1	0	350.503	1.648	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@@H]1C(C)C	ZINC001105631543	842265036	/nfs/dbraw/zinc/26/50/36/842265036.db2.gz	DQTBYGBTERJEOB-FTEYMNFISA-N	1	0	350.503	1.713	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)ncn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105636855	842268631	/nfs/dbraw/zinc/26/86/31/842268631.db2.gz	FLDNBMSHEDNYPD-HBXLWWENSA-N	1	0	358.486	1.332	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3n[nH]c4c3CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001105636917	842269686	/nfs/dbraw/zinc/26/96/86/842269686.db2.gz	GNFZNKROVORBIM-ZJSJBZJDSA-N	1	0	370.497	1.501	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(CCOC)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105637917	842274361	/nfs/dbraw/zinc/27/43/61/842274361.db2.gz	XKEMEQALMBRDGM-WIRSXHRWSA-N	1	0	362.514	1.793	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccncc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105632137	842279261	/nfs/dbraw/zinc/27/92/61/842279261.db2.gz	IJFCPWPADVGMTC-UGESXGAOSA-N	1	0	369.509	1.922	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@H]1C(C)C	ZINC001105632254	842280003	/nfs/dbraw/zinc/28/00/03/842280003.db2.gz	JYXOGDFEEADRSO-OHDICMOHSA-N	1	0	351.491	1.055	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc4n(n3)CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001105632257	842280147	/nfs/dbraw/zinc/28/01/47/842280147.db2.gz	JZVZNNBUSQKXLR-ANTGDGSKSA-N	1	0	370.497	1.432	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(F)CCOCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105633588	842282302	/nfs/dbraw/zinc/28/23/02/842282302.db2.gz	VPPBUYNIJDXBGA-YWTNHNAXSA-N	1	0	366.477	1.495	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3ccncn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105633949	842283032	/nfs/dbraw/zinc/28/30/32/842283032.db2.gz	YCADYRLJGSFJQB-QCFAMHMHSA-N	1	0	370.497	1.399	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn4c(n3)CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001105633995	842283093	/nfs/dbraw/zinc/28/30/93/842283093.db2.gz	YRKYYYBQEANLIJ-DOSUHQCWSA-N	1	0	370.497	1.432	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(COC)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105641696	842297361	/nfs/dbraw/zinc/29/73/61/842297361.db2.gz	DJNZGJXTKJBEPD-WOCWXWTJSA-N	1	0	350.503	1.955	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105641934	842307001	/nfs/dbraw/zinc/30/70/01/842307001.db2.gz	FZZTVWBFDSVMBQ-XSYGEPLQSA-N	1	0	356.470	1.388	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(OC)ccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105645433	842395277	/nfs/dbraw/zinc/39/52/77/842395277.db2.gz	APOQKNVPYKGDQG-BNDYYXHWSA-N	1	0	371.481	1.693	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(N)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105651677	842444308	/nfs/dbraw/zinc/44/43/08/842444308.db2.gz	IDZNEMIHEYLUCW-OAFZBRQQSA-N	1	0	351.491	1.184	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@@H]2C(C)C)C[C@H]1O	ZINC001105651727	842444805	/nfs/dbraw/zinc/44/48/05/842444805.db2.gz	IUVIKVPBZDOLHP-RLJYVQKJSA-N	1	0	362.514	1.811	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCF)[C@H]2C(C)C)C[C@H]1O	ZINC001105653453	842455658	/nfs/dbraw/zinc/45/56/58/842455658.db2.gz	VBWLYKLQJXVHQC-ZAWLATJESA-N	1	0	356.482	1.905	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@H]1C(C)C	ZINC001105655232	842483542	/nfs/dbraw/zinc/48/35/42/842483542.db2.gz	GKPLEXICLSFIKE-MXHNKVEKSA-N	1	0	365.518	1.301	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C3)[C@@H]2C(C)C)CCC1	ZINC001105656646	842488452	/nfs/dbraw/zinc/48/84/52/842488452.db2.gz	SFIFHNFGUAGZCT-UOSKARGWSA-N	1	0	363.502	1.184	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3ccc(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105656320	842492242	/nfs/dbraw/zinc/49/22/42/842492242.db2.gz	OXWUFWULHWXYMA-HNBVOPMISA-N	1	0	358.486	1.181	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CC#CC)C3)[C@H]2C(C)C)nn1	ZINC001105661184	842669514	/nfs/dbraw/zinc/66/95/14/842669514.db2.gz	FVCNVOKKDNRXMA-UIXUWTQFSA-N	1	0	371.485	1.067	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(=O)N(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105663530	842819212	/nfs/dbraw/zinc/81/92/12/842819212.db2.gz	UGVKQPMFEKLPGQ-LTDCPUDJSA-N	1	0	351.491	1.007	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCC(=O)NC4)[C@@H]3C2)cc1	ZINC001075978609	843191311	/nfs/dbraw/zinc/19/13/11/843191311.db2.gz	SRVPCDYXDYUFRQ-OKZBNKHCSA-N	1	0	352.438	1.117	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4cn[nH]n4)[C@@H]3C2)cc1	ZINC001075981478	843231663	/nfs/dbraw/zinc/23/16/63/843231663.db2.gz	JLSWGKFAWGXBTK-WMLDXEAASA-N	1	0	352.398	1.054	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ncc[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105666701	843293410	/nfs/dbraw/zinc/29/34/10/843293410.db2.gz	ILTYPMHQKBOYON-YAJHFMINSA-N	1	0	360.502	1.885	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nc(C)oc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105666950	843367267	/nfs/dbraw/zinc/36/72/67/843367267.db2.gz	LSSIORYUDMLOIF-QQTQMKHKSA-N	1	0	359.470	1.894	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(CC)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667135	843493203	/nfs/dbraw/zinc/49/32/03/843493203.db2.gz	OJOIQJYLRWHLSN-UIXUWTQFSA-N	1	0	358.486	1.506	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccc(C)nc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105672655	845218274	/nfs/dbraw/zinc/21/82/74/845218274.db2.gz	CLCFWWUPEHQLFN-CZAYHTPWSA-N	1	0	369.509	1.922	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCn3ccnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105673554	845402211	/nfs/dbraw/zinc/40/22/11/845402211.db2.gz	MYHJCBIHACEGFX-HNBVOPMISA-N	1	0	358.486	1.263	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N(C)C1CCC([NH3+])CC1)C(C)C	ZINC000842193378	845449618	/nfs/dbraw/zinc/44/96/18/845449618.db2.gz	KPZKHJQXWWYEQV-ABHNRTSZSA-N	1	0	364.534	1.530	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCOC)C2)[C@@H]1C(C)C	ZINC001105674345	845478583	/nfs/dbraw/zinc/47/85/83/845478583.db2.gz	WGGSLMSEDZMLMU-JYBIWHBTSA-N	1	0	368.518	1.582	20	30		FDEDRO
C#CCN1C(=O)C[C@@H](N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)C1=O	ZINC000899246389	845992034	/nfs/dbraw/zinc/99/20/34/845992034.db2.gz	FMXJDDAUYZOZDX-LJQANCHMSA-N	1	0	365.477	1.834	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCc3nn[nH]c32)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088824064	846386766	/nfs/dbraw/zinc/38/67/66/846386766.db2.gz	OQYOXHPRVBOFMR-XYPHTWIQSA-N	1	0	364.453	1.875	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(OCC(N)=O)cc3)[C@@H]2C1	ZINC001076012406	847026301	/nfs/dbraw/zinc/02/63/01/847026301.db2.gz	DXQONNJCZCPKBL-FUHWJXTLSA-N	1	0	357.454	1.663	20	30		FDEDRO
COc1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)nn1C	ZINC001076020564	847050693	/nfs/dbraw/zinc/05/06/93/847050693.db2.gz	LTTCWBLBMDARIF-FUHWJXTLSA-N	1	0	365.437	1.647	20	30		FDEDRO
Cc1cc(CC(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)n(C)n1	ZINC001076036811	847127694	/nfs/dbraw/zinc/12/76/94/847127694.db2.gz	XKAMDYORYLYBFA-AZUAARDMSA-N	1	0	363.465	1.876	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCNC(=O)CC4)[C@@H]3C2)cc1	ZINC001076087309	847231032	/nfs/dbraw/zinc/23/10/32/847231032.db2.gz	OIRDMFGEYKHIAI-CEXWTWQISA-N	1	0	366.465	1.507	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H]3CCN(C(=O)c4csnn4)[C@@H]3C2)cc1F	ZINC001076095170	847268397	/nfs/dbraw/zinc/26/83/97/847268397.db2.gz	XJORQWQEDTZJSX-XJKSGUPXSA-N	1	0	357.414	1.895	20	30		FDEDRO
C=C(Br)CN1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1	ZINC001076242763	847667116	/nfs/dbraw/zinc/66/71/16/847667116.db2.gz	QPNGZIVKMMBDHO-VHDGCEQUSA-N	1	0	356.308	1.770	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)Cn4ccccc4=O)[C@@H]3C2)c1	ZINC001076554478	848399512	/nfs/dbraw/zinc/39/95/12/848399512.db2.gz	STYZDCAJXWAGPR-RBUKOAKNSA-N	1	0	362.433	1.453	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C)n(C)c4C)[C@@H]3C2)C1=O	ZINC001076550161	848411265	/nfs/dbraw/zinc/41/12/65/848411265.db2.gz	TULRNDSBXYJCKH-QXAKKESOSA-N	1	0	370.497	1.575	20	30		FDEDRO
N#Cc1ccc(F)c(CN2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)c1	ZINC001076574291	848448819	/nfs/dbraw/zinc/44/88/19/848448819.db2.gz	CYSACFXEESXGFS-QFBILLFUSA-N	1	0	356.445	1.826	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(C)nc4C)[C@@H]3C2)C1=O	ZINC001076599278	848535424	/nfs/dbraw/zinc/53/54/24/848535424.db2.gz	IWBVFEGGIHJFKB-YTQUADARSA-N	1	0	368.481	1.632	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN([C@H](C)c4cnccn4)C[C@H]32)CC1	ZINC001076604499	848553779	/nfs/dbraw/zinc/55/37/79/848553779.db2.gz	JETPTTPYTZXIMO-IMFGXOCKSA-N	1	0	367.497	1.416	20	30		FDEDRO
CN(C)c1ccc(C(N)=[NH+]OCC(=O)NC[C@@H]2Cc3ccccc3O2)cc1	ZINC000151285539	861917532	/nfs/dbraw/zinc/91/75/32/861917532.db2.gz	JSNMYDNDXZEVSA-KRWDZBQOSA-N	1	0	368.437	1.509	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]32)cc1	ZINC001076617283	848584452	/nfs/dbraw/zinc/58/44/52/848584452.db2.gz	URSFLGCSAWCLHY-VDZJLULYSA-N	1	0	371.481	1.461	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001076751490	848958468	/nfs/dbraw/zinc/95/84/68/848958468.db2.gz	RBQHRTGIPDZFBV-FFZOFVMBSA-N	1	0	369.509	1.952	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)[C@@H](C)C1	ZINC000249260982	849172891	/nfs/dbraw/zinc/17/28/91/849172891.db2.gz	ZANAIEUJOVUDGM-ZFWWWQNUSA-N	1	0	360.462	1.463	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCc4ccccc43)C[C@H]2O)c1	ZINC001076855537	849212894	/nfs/dbraw/zinc/21/28/94/849212894.db2.gz	AFXVKAFNPLDCRB-GUDVDZBRSA-N	1	0	350.422	1.739	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1	ZINC000483205898	849380871	/nfs/dbraw/zinc/38/08/71/849380871.db2.gz	WIZPEFRWBKUKOS-BEFAXECRSA-N	1	0	359.474	1.655	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1O	ZINC001076986331	849479284	/nfs/dbraw/zinc/47/92/84/849479284.db2.gz	ULKOEDMWIABVQC-CEXWTWQISA-N	1	0	356.470	1.092	20	30		FDEDRO
COc1ccc(C#N)cc1CN1C[C@@H](O)[C@H](NC(=O)C2C=CC=CC=C2)C1	ZINC001077073704	849690845	/nfs/dbraw/zinc/69/08/45/849690845.db2.gz	DXCMTZBHAREKJY-RTBURBONSA-N	1	0	365.433	1.527	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@@H]2O)cc1	ZINC001083577886	850892836	/nfs/dbraw/zinc/89/28/36/850892836.db2.gz	MJOYEYSFKZUTSL-IPELMVKDSA-N	1	0	360.454	1.453	20	30		FDEDRO
O=C([C@H]1CCC[N@@H+]1C1CC1)N(O)CCCN1C(=O)c2ccccc2C1=O	ZINC000904185731	851005777	/nfs/dbraw/zinc/00/57/77/851005777.db2.gz	HQNPFRIBSYYQNC-MRXNPFEDSA-N	1	0	357.410	1.517	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2cccnc2)CC1	ZINC000668369718	851047869	/nfs/dbraw/zinc/04/78/69/851047869.db2.gz	CIVOICKRAWITEF-MOPGFXCFSA-N	1	0	372.469	1.137	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1	ZINC000668376561	851127823	/nfs/dbraw/zinc/12/78/23/851127823.db2.gz	IFXLUGXYZOFIBM-SFHVURJKSA-N	1	0	374.485	1.065	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N1CC[NH2+]CCC12CCOCC2	ZINC000904983431	851542899	/nfs/dbraw/zinc/54/28/99/851542899.db2.gz	LZZDXCHNFIGLDA-UHFFFAOYSA-N	1	0	351.491	1.562	20	30		FDEDRO
CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NCC#CC[NH+](C)C	ZINC000913516202	862298113	/nfs/dbraw/zinc/29/81/13/862298113.db2.gz	GAUFAUMHFZLNMH-KRWDZBQOSA-N	1	0	362.449	1.475	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2	ZINC000913516470	862298626	/nfs/dbraw/zinc/29/86/26/862298626.db2.gz	RELJAKVSGNUKOK-RQJZOYDLSA-N	1	0	371.525	1.875	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CC2(CCOCC2)Oc2ccccc21	ZINC000905450627	851929190	/nfs/dbraw/zinc/92/91/90/851929190.db2.gz	HKAURAFCRGIQRP-FUHWJXTLSA-N	1	0	359.470	1.855	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC3(CCOCC3)CO2)cc1	ZINC000905426831	851932650	/nfs/dbraw/zinc/93/26/50/851932650.db2.gz	VAXZXAMVSLFNLH-PKOBYXMFSA-N	1	0	360.454	1.863	20	30		FDEDRO
CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)NCC#CC[NH+](C)C	ZINC000913518900	862302791	/nfs/dbraw/zinc/30/27/91/862302791.db2.gz	FWPBWGPBCLYQFM-CVEARBPZSA-N	1	0	361.442	1.931	20	30		FDEDRO
Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NCC#CC[NH+](C)C)c3)cc21	ZINC000913520948	862307273	/nfs/dbraw/zinc/30/72/73/862307273.db2.gz	FKCXGWZSOMNGJX-UHFFFAOYSA-N	1	0	363.421	1.636	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]1C[NH2+]C[C@H](O)CC1(C#N)CCOCC1	ZINC000905591244	852082366	/nfs/dbraw/zinc/08/23/66/852082366.db2.gz	HUNOJTQFNGBJMB-HUUCEWRRSA-N	1	0	353.463	1.657	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC3(CCOCC3)O2)cc1	ZINC000905596053	852087132	/nfs/dbraw/zinc/08/71/32/852087132.db2.gz	POCUUWIGRZOPLF-MJGOQNOKSA-N	1	0	360.454	1.810	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCc3nnn(C)c3C2)c(OC)c1	ZINC000905632399	852101534	/nfs/dbraw/zinc/10/15/34/852101534.db2.gz	HCLAPNUCSBRERC-CVEARBPZSA-N	1	0	372.469	1.439	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@@H]1O	ZINC001083593630	852225520	/nfs/dbraw/zinc/22/55/20/852225520.db2.gz	UOVNNLXPAURSHR-AABGKKOBSA-N	1	0	370.497	1.340	20	30		FDEDRO
N#CC1(C[C@H](O)CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)CCC1	ZINC000905959306	852465781	/nfs/dbraw/zinc/46/57/81/852465781.db2.gz	XHCUDHBFMWSPKE-OKZBNKHCSA-N	1	0	367.449	1.548	20	30		FDEDRO
CN1CC[N@H+](C)CC(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)C1	ZINC000906553367	853007414	/nfs/dbraw/zinc/00/74/14/853007414.db2.gz	MZKCJJFTDCWVBB-UHFFFAOYSA-N	1	0	358.442	1.198	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2	ZINC000906711065	853200573	/nfs/dbraw/zinc/20/05/73/853200573.db2.gz	QLKSBECYDCMISA-UHFFFAOYSA-N	1	0	354.435	1.863	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1CNS(=O)(=O)c1ccc(C#N)cn1	ZINC000906887593	853505070	/nfs/dbraw/zinc/50/50/70/853505070.db2.gz	IPGGXLZBJDVSRJ-UHFFFAOYSA-N	1	0	360.439	1.372	20	30		FDEDRO
C[N@H+]1CC=C(CNS(=O)(=O)c2ccc(Br)c(C#N)c2)CC1	ZINC000907098182	853788913	/nfs/dbraw/zinc/78/89/13/853788913.db2.gz	VMZOWHGMFKSUSJ-UHFFFAOYSA-N	1	0	370.272	1.861	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc2c(c1)N(C(=O)CC)CC2	ZINC000907208841	853915774	/nfs/dbraw/zinc/91/57/74/853915774.db2.gz	YQLNOYNIEUXROQ-UHFFFAOYSA-N	1	0	363.483	1.219	20	30		FDEDRO
C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NC1CCC(Oc2ncccc2C#N)CC1	ZINC000907615028	854459276	/nfs/dbraw/zinc/45/92/76/854459276.db2.gz	PUASGFZTPXDCJM-ICIBYLBGSA-N	1	0	358.442	1.215	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c(F)c1	ZINC000908005962	854892779	/nfs/dbraw/zinc/89/27/79/854892779.db2.gz	CYXNLJNNDANMKB-SJORKVTESA-N	1	0	367.446	1.058	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O	ZINC000908199919	855181419	/nfs/dbraw/zinc/18/14/19/855181419.db2.gz	XOOSEVOSLSXNDH-SFHVURJKSA-N	1	0	360.414	1.001	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccccc2C)C[C@H]1OC	ZINC001212150420	862667914	/nfs/dbraw/zinc/66/79/14/862667914.db2.gz	XOHBXFAYQFCILY-KBAYOESNSA-N	1	0	357.454	1.011	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1cc(Br)cn(C2CC2)c1=O	ZINC000908438322	855424460	/nfs/dbraw/zinc/42/44/60/855424460.db2.gz	YQHPVQYXEUREHF-UHFFFAOYSA-N	1	0	366.259	1.631	20	30		FDEDRO
C=CCn1c(-c2cnsn2)nnc1N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000908721764	855701353	/nfs/dbraw/zinc/70/13/53/855701353.db2.gz	XHICYRWFLMRDLG-ZDUSSCGKSA-N	1	0	363.491	1.530	20	30		FDEDRO
C=CCn1c(-c2cccnn2)nnc1N1CCC(C)([NH+]2CCOCC2)CC1	ZINC000908710665	855713195	/nfs/dbraw/zinc/71/31/95/855713195.db2.gz	QMZAYTWKWYRAOM-UHFFFAOYSA-N	1	0	369.473	1.612	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@H]2C[N@@H+](CCOCCOC)C[C@@]2(C)C1	ZINC001101161637	856033798	/nfs/dbraw/zinc/03/37/98/856033798.db2.gz	MTPSETABLJJOPP-LMMKCTJWSA-N	1	0	354.491	1.411	20	30		FDEDRO
C#C[C@H]1CCCCN1c1nnc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1CCOC	ZINC000909156607	856212273	/nfs/dbraw/zinc/21/22/73/856212273.db2.gz	NPSQWQXOWXERCP-BBWFWOEESA-N	1	0	359.474	1.452	20	30		FDEDRO
C=CCC1(C(=O)NCC[NH+]2CCC(O)CC2)CN(C(=O)OC(C)(C)C)C1	ZINC000909272195	856348347	/nfs/dbraw/zinc/34/83/47/856348347.db2.gz	IFAGRFIMXPFUFO-UHFFFAOYSA-N	1	0	367.490	1.373	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1	ZINC000910620888	857409935	/nfs/dbraw/zinc/40/99/35/857409935.db2.gz	WCNFEGXHQPLNCG-HNNXBMFYSA-N	1	0	360.483	1.665	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)Cc2cc(C#N)cs2)C[C@H]1C	ZINC000910662094	857473866	/nfs/dbraw/zinc/47/38/66/857473866.db2.gz	HIKHRVVDIZOCNH-HIFRSBDPSA-N	1	0	362.499	1.909	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCN2Cc2ccccc2)CC1	ZINC000668835531	857507350	/nfs/dbraw/zinc/50/73/50/857507350.db2.gz	CAEYBMUSLUKGGI-LJQANCHMSA-N	1	0	370.497	1.144	20	30		FDEDRO
N#Cc1ccc(N(C(=O)C(=O)N2CC[C@H](C3CC3)C2)[C@H]2CCC[NH2+]C2)nc1	ZINC000910858739	857789240	/nfs/dbraw/zinc/78/92/40/857789240.db2.gz	UFFMONVXHLBJGX-IRXDYDNUSA-N	1	0	367.453	1.297	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C(=O)N(c2ccc(C#N)cn2)[C@@H]2CCC[NH2+]C2)C[C@@H]1C	ZINC000910858852	857789247	/nfs/dbraw/zinc/78/92/47/857789247.db2.gz	VLEVAQOYLJSRBP-HLLBOEOZSA-N	1	0	369.469	1.543	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1	ZINC000911047273	858083998	/nfs/dbraw/zinc/08/39/98/858083998.db2.gz	GIGQZPDVOKMYGY-RBSFLKMASA-N	1	0	369.387	1.638	20	30		FDEDRO
C=C(C)Cn1c(-c2cn(C)nn2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C	ZINC000669333825	862996748	/nfs/dbraw/zinc/99/67/48/862996748.db2.gz	XOQHZNYUDNHKPS-HOCLYGCPSA-N	1	0	358.494	1.816	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1C[C@H]2COC[C@]2(C)C1	ZINC000669334456	863003686	/nfs/dbraw/zinc/00/36/86/863003686.db2.gz	BINFAWXEVAZYEF-CLWJZODNSA-N	1	0	373.501	1.863	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(CCF)CCOC	ZINC000669336073	863004786	/nfs/dbraw/zinc/00/47/86/863004786.db2.gz	UYEILPQTDXBLFP-CVEARBPZSA-N	1	0	367.469	1.812	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCCC[C@@H]2C2(C[NH3+])CCC2)c(F)c1	ZINC000911171709	858282382	/nfs/dbraw/zinc/28/23/82/858282382.db2.gz	KHMSICJSAHXMBE-QGZVFWFLSA-N	1	0	372.444	1.824	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCO[C@@H](CF)C1	ZINC000669335557	863008960	/nfs/dbraw/zinc/00/89/60/863008960.db2.gz	NKPQJUQULDEEJI-PMPSAXMXSA-N	1	0	365.453	1.565	20	30		FDEDRO
C=CCCC[C@H](NC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)c1ccccc1	ZINC000911367169	858558030	/nfs/dbraw/zinc/55/80/30/858558030.db2.gz	XQTQGHOPNDROSV-PXNSSMCTSA-N	1	0	359.470	1.512	20	30		FDEDRO
C=CCCC[C@@H](NC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)c1ccccc1	ZINC000911367170	858558043	/nfs/dbraw/zinc/55/80/43/858558043.db2.gz	XQTQGHOPNDROSV-XLIONFOSSA-N	1	0	359.470	1.512	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)cc1C#N	ZINC000911431778	858613207	/nfs/dbraw/zinc/61/32/07/858613207.db2.gz	HZRHNCBQDKXHJC-UHFFFAOYSA-N	1	0	364.449	1.861	20	30		FDEDRO
CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000911519942	858733188	/nfs/dbraw/zinc/73/31/88/858733188.db2.gz	DVPJSEGKLITHQC-QGZVFWFLSA-N	1	0	370.453	1.042	20	30		FDEDRO
N#C[C@@]1(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC2CCC1CC2	ZINC000911707282	858938420	/nfs/dbraw/zinc/93/84/20/858938420.db2.gz	ZRQDWBXVRAVCFD-FCULAJGNSA-N	1	0	358.486	1.377	20	30		FDEDRO
CN1CC[N@H+](C)CC(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000911922128	859112335	/nfs/dbraw/zinc/11/23/35/859112335.db2.gz	RKUQVEAHEXNYAS-UHFFFAOYSA-N	1	0	369.513	1.132	20	30		FDEDRO
C=CCCC[C@H]([NH3+])C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C	ZINC000912077347	859332214	/nfs/dbraw/zinc/33/22/14/859332214.db2.gz	CCHVMOVADIIUEZ-AWEZNQCLSA-N	1	0	368.503	1.625	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)NCCNC(=O)c1ccc(Br)cn1	ZINC000912296744	859570903	/nfs/dbraw/zinc/57/09/03/859570903.db2.gz	NUJBIRLUMMCGQJ-UHFFFAOYSA-N	1	0	369.263	1.198	20	30		FDEDRO
C[C@H](CNC(NCCCN1CCOCC1)=[NH+]C(C)(C)C)Cn1cccn1	ZINC000912505663	859831107	/nfs/dbraw/zinc/83/11/07/859831107.db2.gz	CJWNLMFIHYUZJR-QGZVFWFLSA-N	1	0	364.538	1.575	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@H](CC(N)=O)C1	ZINC000669034314	860853683	/nfs/dbraw/zinc/85/36/83/860853683.db2.gz	KPFBCPQJGIAELB-OAGGEKHMSA-N	1	0	374.489	1.092	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCO[C@H](C2CC2)C1	ZINC000669034102	860854712	/nfs/dbraw/zinc/85/47/12/860854712.db2.gz	IEQXPFUJXKIEEW-IKGGRYGDSA-N	1	0	359.474	1.615	20	30		FDEDRO
C=CCn1c(-c2cn(C)nn2)nnc1N1CC[NH+](Cc2ccccc2)CC1	ZINC000669036413	860888731	/nfs/dbraw/zinc/88/87/31/860888731.db2.gz	VKQIZPSWKYYXNP-UHFFFAOYSA-N	1	0	364.457	1.582	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)ccc1F	ZINC000912922380	861029264	/nfs/dbraw/zinc/02/92/64/861029264.db2.gz	KMGIDDDERMWLRF-CQSZACIVSA-N	1	0	367.446	1.210	20	30		FDEDRO
N#Cc1ccc(C2CCN(C(=O)C3C[NH+](C4CCOCC4)C3)CC2)nc1	ZINC000912927022	861080797	/nfs/dbraw/zinc/08/07/97/861080797.db2.gz	JHTSWHVOYZIUHU-UHFFFAOYSA-N	1	0	354.454	1.770	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)CC1	ZINC000057171681	863091127	/nfs/dbraw/zinc/09/11/27/863091127.db2.gz	QLFXNXLQGZPTSH-UHFFFAOYSA-N	1	0	353.466	1.245	20	30		FDEDRO
CC(=O)N[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)[C@H](C)C1	ZINC001105793731	863220142	/nfs/dbraw/zinc/22/01/42/863220142.db2.gz	MAQZCKXUBINXKP-PBFPGSCMSA-N	1	0	360.433	1.406	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CCSC)C[C@H]1C	ZINC001105800807	863247625	/nfs/dbraw/zinc/24/76/25/863247625.db2.gz	BXGWKBFHDDZTJP-HZPDHXFCSA-N	1	0	355.548	1.848	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2C=CCC2)C[C@H]1C	ZINC001105803574	863266241	/nfs/dbraw/zinc/26/62/41/863266241.db2.gz	NQOPARJYZWPNON-FGTMMUONSA-N	1	0	360.502	1.789	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(Cl)c[nH]2)C[C@H]1C	ZINC001105818018	863369629	/nfs/dbraw/zinc/36/96/29/863369629.db2.gz	FDODHAFRSHZSAL-JHJVBQTASA-N	1	0	350.850	1.104	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1C	ZINC001105834154	863420066	/nfs/dbraw/zinc/42/00/66/863420066.db2.gz	MORVNHYELUFQPK-DGCLKSJQSA-N	1	0	356.268	1.261	20	30		FDEDRO
Cc1nc(CC[NH2+]C[C@@H]2CN(C(=O)CSCC#N)C[C@H]2C)cs1	ZINC001105846118	863474695	/nfs/dbraw/zinc/47/46/95/863474695.db2.gz	JASAFOGCPCCJJJ-TZMCWYRMSA-N	1	0	352.529	1.935	20	30		FDEDRO
CCC(CC)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C	ZINC001105850491	863489307	/nfs/dbraw/zinc/48/93/07/863489307.db2.gz	PPADHZURXXWLIS-RBSFLKMASA-N	1	0	368.547	1.621	20	30		FDEDRO
CC(C)n1cc(C[NH2+]C[C@@H]2CN(C(=O)CSCC#N)C[C@H]2C)nn1	ZINC001105849036	863495791	/nfs/dbraw/zinc/49/57/91/863495791.db2.gz	BTGPOVYTZYOPIF-ZIAGYGMSSA-N	1	0	350.492	1.300	20	30		FDEDRO
COC(=O)NCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)c(C#N)c2)[C@H](C)C1	ZINC001105874770	863591459	/nfs/dbraw/zinc/59/14/59/863591459.db2.gz	XUHVZKUSNUBKDZ-IUODEOHRSA-N	1	0	362.405	1.237	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CNc2nccnc2C#N)CC[N@@H+]1C	ZINC001060316150	863768475	/nfs/dbraw/zinc/76/84/75/863768475.db2.gz	NPXUEIUNKJDRIK-YQQAZPJKSA-N	1	0	356.474	1.872	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCS2(=O)=O)C[C@H]1C(F)(F)F	ZINC001112113269	863954078	/nfs/dbraw/zinc/95/40/78/863954078.db2.gz	LWSWPNNJDSYUKB-JHJVBQTASA-N	1	0	368.421	1.509	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCOC(C)C)[C@H](C)C1	ZINC001105923253	864024496	/nfs/dbraw/zinc/02/44/96/864024496.db2.gz	RSRCVVVGTXZKIC-IAGOWNOFSA-N	1	0	353.507	1.568	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]C[C@@H]2COc3ccccc3O2)[C@H](C)C1	ZINC001105942045	864156740	/nfs/dbraw/zinc/15/67/40/864156740.db2.gz	VZNPBVWUTIPLHU-BRWVUGGUSA-N	1	0	360.454	1.713	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)[C@H](C)C1	ZINC001105942324	864160941	/nfs/dbraw/zinc/16/09/41/864160941.db2.gz	GDFXLAPPHZXYJU-DDUZABMNSA-N	1	0	363.433	1.239	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)Cc2cccs2)[C@H](C)C1	ZINC001105951291	864209207	/nfs/dbraw/zinc/20/92/07/864209207.db2.gz	ABUINYKRLNXJFK-RBSFLKMASA-N	1	0	362.499	1.550	20	30		FDEDRO
Cc1c(C(=O)N2C[C@@H](C[NH2+]CC#Cc3ccc(F)cc3)[C@H](C)C2)nnn1C	ZINC001105973624	864287603	/nfs/dbraw/zinc/28/76/03/864287603.db2.gz	VLRWJUORQWHULQ-RHSMWYFYSA-N	1	0	369.444	1.612	20	30		FDEDRO
C=CCN1C(=O)N(C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C(=O)[C@H]1Cc1ccccc1	ZINC000761199825	864325474	/nfs/dbraw/zinc/32/54/74/864325474.db2.gz	KQICRBWQJUFTGC-CEXWTWQISA-N	1	0	369.465	1.911	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+][C@@H](CCCC)C(N)=O)[C@H](C)C1	ZINC001105981524	864325661	/nfs/dbraw/zinc/32/56/61/864325661.db2.gz	BGGITHUFEJICEF-ZACQAIPSSA-N	1	0	353.507	1.697	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(CC)CC)[C@H](C)C1	ZINC001105984550	864341704	/nfs/dbraw/zinc/34/17/04/864341704.db2.gz	OOASWXZTVTVJLO-IAGOWNOFSA-N	1	0	367.534	1.958	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]Cc2ccnc(OC)n2)[C@H](C)C1	ZINC001105987334	864362504	/nfs/dbraw/zinc/36/25/04/864362504.db2.gz	DCZJYZWCFIZBNF-HZPDHXFCSA-N	1	0	362.474	1.652	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cn(C)nn2)C1	ZINC001112291838	864412857	/nfs/dbraw/zinc/41/28/57/864412857.db2.gz	AQACMVRNBHWRCK-LPHOPBHVSA-N	1	0	361.490	1.516	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)/C(C)=C\C)C[C@H]1C	ZINC001105995819	864437800	/nfs/dbraw/zinc/43/78/00/864437800.db2.gz	GCVHIRXECWGCED-VJUFAYPDSA-N	1	0	350.463	1.037	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CCn3nc(C)cc3C)[C@@H]2C)c1	ZINC001088846684	864551265	/nfs/dbraw/zinc/55/12/65/864551265.db2.gz	BIYVBOWZOJKZQV-APWZRJJASA-N	1	0	351.454	1.769	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1C	ZINC001106008686	864603214	/nfs/dbraw/zinc/60/32/14/864603214.db2.gz	YUICVDWRNCCJQU-HZPDHXFCSA-N	1	0	361.490	1.142	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2COC(=O)C2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106009251	864611358	/nfs/dbraw/zinc/61/13/58/864611358.db2.gz	RDGYGPAXAFTVGU-NZSAHSFTSA-N	1	0	354.450	1.675	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1CN([C@H](C)C(=O)NCCC(C)C)C[C@H]1OC	ZINC001212185492	864627895	/nfs/dbraw/zinc/62/78/95/864627895.db2.gz	VDRMJUGZBGDFEG-BRWVUGGUSA-N	1	0	351.491	1.156	20	30		FDEDRO
C=CCN1CC[C@H](N2CC[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)[C@H]2C)C1=O	ZINC001088860750	864810556	/nfs/dbraw/zinc/81/05/56/864810556.db2.gz	ZURABQARKBPFGC-IKGGRYGDSA-N	1	0	362.518	1.084	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC001106029027	864875771	/nfs/dbraw/zinc/87/57/71/864875771.db2.gz	FOHWJBIMTRQOOZ-NVXWUHKLSA-N	1	0	369.469	1.385	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CCCOCCOCC)C[C@H]1C	ZINC001106874306	881815800	/nfs/dbraw/zinc/81/58/00/881815800.db2.gz	BXYGPSHGUDXYKD-QZTJIDSGSA-N	1	0	356.507	1.706	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106056465	865050931	/nfs/dbraw/zinc/05/09/31/865050931.db2.gz	RNXKDPMJZDMIME-IEBWSBKVSA-N	1	0	350.466	1.698	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NC(C)C)[C@H](C)C1	ZINC001106057109	865053299	/nfs/dbraw/zinc/05/32/99/865053299.db2.gz	SRRXQESJBWJRNH-BZUAXINKSA-N	1	0	364.490	1.097	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)n2C2CC2)[C@H](C)C1	ZINC001106058759	865065509	/nfs/dbraw/zinc/06/55/09/865065509.db2.gz	HRLVBHDMNMOHIJ-ZXYWRSMDSA-N	1	0	361.490	1.433	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)CC)C[C@H]1C	ZINC001106061969	865082611	/nfs/dbraw/zinc/08/26/11/865082611.db2.gz	PWAGVZLNJKFFAA-RRFJBIMHSA-N	1	0	352.479	1.119	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CCOCC(F)(F)F)[C@H](C)C1	ZINC001106064860	865103150	/nfs/dbraw/zinc/10/31/50/865103150.db2.gz	KSVBKMMDYMEFQV-NFAWXSAZSA-N	1	0	352.397	1.577	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1C	ZINC001106071118	865159319	/nfs/dbraw/zinc/15/93/19/865159319.db2.gz	TUAORZDEDXBZFL-BRWVUGGUSA-N	1	0	367.534	1.645	20	30		FDEDRO
Cc1ccnn1CC(=O)N[C@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)[C@@H]1C	ZINC001088890647	865266812	/nfs/dbraw/zinc/26/68/12/865266812.db2.gz	FDBWWEIQUBYTAL-APWZRJJASA-N	1	0	367.453	1.873	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C)nc3C)[C@@H]2C)nn1	ZINC001088907318	865372755	/nfs/dbraw/zinc/37/27/55/865372755.db2.gz	LLAIGBYAOAYHFP-WBVHZDCISA-N	1	0	354.458	1.869	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cnccc3C)[C@@H]2C)nn1	ZINC001088910695	865395870	/nfs/dbraw/zinc/39/58/70/865395870.db2.gz	APHXLWLYMDFNND-WBVHZDCISA-N	1	0	354.458	1.950	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2)[C@@H]1C	ZINC001088914135	865411325	/nfs/dbraw/zinc/41/13/25/865411325.db2.gz	LJLWEIPTEMMFPF-FCLVOEFKSA-N	1	0	371.481	1.846	20	30		FDEDRO
COc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cc3ncc[nH]3)[C@H]2C)cc1C#N	ZINC001088941009	865607381	/nfs/dbraw/zinc/60/73/81/865607381.db2.gz	BGYAAQBWGYFNTQ-CJNGLKHVSA-N	1	0	353.426	1.612	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CC2CCC(F)(F)CC2)C[C@H]1OC	ZINC001212193897	866044851	/nfs/dbraw/zinc/04/48/51/866044851.db2.gz	KYXYRFVTEVRCBQ-INMHGKMJSA-N	1	0	360.445	1.954	20	30		FDEDRO
Cc1cccc(N2CCN(C(NCC(=O)N(C)C)=[NH+]C(C)C)CC2)c1C	ZINC000173875283	866148320	/nfs/dbraw/zinc/14/83/20/866148320.db2.gz	MTJBKCQJOYSVBH-UHFFFAOYSA-N	1	0	359.518	1.868	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3nncn3C2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001089057870	866411885	/nfs/dbraw/zinc/41/18/85/866411885.db2.gz	QTAVJVQRPKVNCR-OLMNPRSZSA-N	1	0	364.453	1.491	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000992027855	867243141	/nfs/dbraw/zinc/24/31/41/867243141.db2.gz	IWBIWASHWLUQGZ-IRXDYDNUSA-N	1	0	354.410	1.256	20	30		FDEDRO
CN(C(=O)CNc1ccc(C#N)cn1)C1CC[NH+](CCC(F)(F)F)CC1	ZINC000457085111	867266541	/nfs/dbraw/zinc/26/65/41/867266541.db2.gz	LXJIULAGCUHOGN-UHFFFAOYSA-N	1	0	369.391	2.240	20	30		FDEDRO
C=CCC[C@H](CO)NC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000457444179	867486024	/nfs/dbraw/zinc/48/60/24/867486024.db2.gz	BBWKZRZLKZRHKN-LJQANCHMSA-N	1	0	360.502	1.431	20	30		FDEDRO
C=CC(C)(C)CC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001061617075	882102555	/nfs/dbraw/zinc/10/25/55/882102555.db2.gz	YTPAWAXCVCYLDU-YESZJQIVSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC[C@@H]2C1	ZINC000946781985	882134592	/nfs/dbraw/zinc/13/45/92/882134592.db2.gz	LJTGZKXPMDLUSE-QXSJWSMHSA-N	1	0	353.894	1.811	20	30		FDEDRO
C[C@@H]1C[C@@H](C)CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000459926933	867927925	/nfs/dbraw/zinc/92/79/25/867927925.db2.gz	KSORQNZCNITGFU-IAGOWNOFSA-N	1	0	370.497	1.953	20	30		FDEDRO
C=C(C)COc1cc(C[NH2+]C2CC(NS(C)(=O)=O)C2)ccc1OC	ZINC000669831597	867951762	/nfs/dbraw/zinc/95/17/62/867951762.db2.gz	IJFXPHYZCHTPPO-UHFFFAOYSA-N	1	0	354.472	1.820	20	30		FDEDRO
CCS(=O)(=O)CCCCC[NH2+]C[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1C	ZINC001106099196	868057185	/nfs/dbraw/zinc/05/71/85/868057185.db2.gz	BYVSYAJRBYCWKA-QZTJIDSGSA-N	1	0	370.559	1.935	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)Nc2ncccn2)[C@H](C)C1	ZINC001106100141	868074106	/nfs/dbraw/zinc/07/41/06/868074106.db2.gz	ZQIMFBPRMXAJSR-BZUAXINKSA-N	1	0	357.458	1.147	20	30		FDEDRO
C#Cc1cncc(C(=O)NC2CC(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)c1	ZINC000992161652	868081730	/nfs/dbraw/zinc/08/17/30/868081730.db2.gz	JOALXLIQXIZTRZ-SOTJZCEJSA-N	1	0	368.481	1.418	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2CC[C@@]3(NC(=O)[C@H]4C[C@H]4C(N)=O)CCC[C@H]23)c1	ZINC000992175108	868156333	/nfs/dbraw/zinc/15/63/33/868156333.db2.gz	FKIYESWJCUNNPQ-YLAKUSLOSA-N	1	0	352.438	1.293	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3nnc(C)o3)C[C@H]2CC1	ZINC000946787081	882166213	/nfs/dbraw/zinc/16/62/13/882166213.db2.gz	ZYDLYSWVEPGVMS-TWMKSMIVSA-N	1	0	360.458	1.640	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C[NH2+]CC(=O)NCc1ccco1	ZINC001106109791	868313811	/nfs/dbraw/zinc/31/38/11/868313811.db2.gz	VOYZPXHGRIARAN-HZPDHXFCSA-N	1	0	359.470	1.629	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccc(C)cc2)[C@H](C)C1	ZINC001106111421	868389457	/nfs/dbraw/zinc/38/94/57/868389457.db2.gz	MCIWBIWINVTHCM-KZNAEPCWSA-N	1	0	371.481	1.656	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCC[C@H]2C)[C@H](C)C1	ZINC001106114520	868492993	/nfs/dbraw/zinc/49/29/93/868492993.db2.gz	AOSZQPNVMIESOD-KZNAEPCWSA-N	1	0	363.502	1.111	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2nnc(C3CC3)s2)[C@H](C)C1	ZINC001106114869	868506475	/nfs/dbraw/zinc/50/64/75/868506475.db2.gz	JQCMLMUOWXPDJC-UKRRQHHQSA-N	1	0	362.499	1.640	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cc(CO)ccc2F)[C@H](C)C1	ZINC001106117112	868587039	/nfs/dbraw/zinc/58/70/39/868587039.db2.gz	ZZCIHHGRCPLPFS-IIDMSEBBSA-N	1	0	362.445	1.540	20	30		FDEDRO
CCCCCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106120641	868737632	/nfs/dbraw/zinc/73/76/32/868737632.db2.gz	ABDGSAYLAXYLGX-BRWVUGGUSA-N	1	0	366.506	1.296	20	30		FDEDRO
C=CCCOCCCCC(=O)N1C[C@@H](C[NH2+][C@@H]2CCCNC2=O)[C@H](C)C1	ZINC001106122611	868872865	/nfs/dbraw/zinc/87/28/65/868872865.db2.gz	BKKOSPOQOYQXQL-KZNAEPCWSA-N	1	0	365.518	1.712	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(CC)CC)C1	ZINC001112335186	869191565	/nfs/dbraw/zinc/19/15/65/869191565.db2.gz	YUTBJSNVOCIRCB-VDGAXYAQSA-N	1	0	365.518	1.400	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnn(C3CCC3)c2)C[C@H]1C	ZINC001106129985	869194081	/nfs/dbraw/zinc/19/40/81/869194081.db2.gz	NYJVGMDXIUEFBW-OWCLPIDISA-N	1	0	371.485	1.044	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C[C@H]1C	ZINC001106130223	869207065	/nfs/dbraw/zinc/20/70/65/869207065.db2.gz	SQRSJEUDGHNLCB-OWCLPIDISA-N	1	0	359.474	1.413	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC2CCC(F)(F)CC2)C[C@@H]1O	ZINC001083853143	882280001	/nfs/dbraw/zinc/28/00/01/882280001.db2.gz	FCNGJSBZKMSGDQ-YVSFHVDLSA-N	1	0	372.456	1.954	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2C)C[C@@H]1O	ZINC001083853174	882283312	/nfs/dbraw/zinc/28/33/12/882283312.db2.gz	GFWPQFWZCYKRNC-YRPNKDGESA-N	1	0	358.482	1.946	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnc(OC(C)C)cn2)C[C@H]1C	ZINC001106131050	869293676	/nfs/dbraw/zinc/29/36/76/869293676.db2.gz	KOAKFVSYIDYQQN-HZPDHXFCSA-N	1	0	360.458	1.211	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)c2C)C[C@@H]1O	ZINC001083853236	882293882	/nfs/dbraw/zinc/29/38/82/882293882.db2.gz	JUWSEVNFFQUGQQ-DMUMMCEESA-N	1	0	374.481	1.646	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(C)ccc2C)C[C@@H]1O	ZINC001083853323	882302119	/nfs/dbraw/zinc/30/21/19/882302119.db2.gz	NYZZWEZHTKGYPT-YRPNKDGESA-N	1	0	358.482	1.946	20	30		FDEDRO
C#CCN(C(=O)NC1CCN(C(=O)OCC)CC1)C1CC[NH+](C)CC1	ZINC000913825238	869715463	/nfs/dbraw/zinc/71/54/63/869715463.db2.gz	UVWZUGRMUHDHNH-UHFFFAOYSA-N	1	0	350.463	1.346	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4C4CC4)CC[C@@H]3C2)C1=O	ZINC000946815688	882338444	/nfs/dbraw/zinc/33/84/44/882338444.db2.gz	KLXKAIDHRYXYEK-PXTPFGJHSA-N	1	0	371.525	1.990	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)C=C(C)C)C[C@]3(C)C2)CC1	ZINC000992551072	870068298	/nfs/dbraw/zinc/06/82/98/870068298.db2.gz	LUIFOTSDPRBQFV-GHTZIAJQSA-N	1	0	357.498	1.605	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)NCc1cccc(C#N)c1)C2	ZINC000914051322	870480548	/nfs/dbraw/zinc/48/05/48/870480548.db2.gz	KFLSGHBHCOUCOS-SOAMZJECSA-N	1	0	356.470	1.837	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccncc2C)C[C@H]1C	ZINC001106139059	870775640	/nfs/dbraw/zinc/77/56/40/870775640.db2.gz	KMEAIUPRLVWJPF-JFIYKMOQSA-N	1	0	358.486	1.307	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N(CCC)[C@@H]2CC[N@H+](C)C2)cc1	ZINC000646767474	871165430	/nfs/dbraw/zinc/16/54/30/871165430.db2.gz	ZXECHCRAJWJBPK-QGZVFWFLSA-N	1	0	372.469	1.484	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc3occc3c2)C[C@H]1C	ZINC001106157132	871475354	/nfs/dbraw/zinc/47/53/54/871475354.db2.gz	FKTQUTFDAJJVJC-RVKKMQEKSA-N	1	0	367.449	1.868	20	30		FDEDRO
CCC(=O)N1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1	ZINC001106163485	871496678	/nfs/dbraw/zinc/49/66/78/871496678.db2.gz	VSINWSVQOWKUQS-KZNAEPCWSA-N	1	0	363.502	1.111	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)C(C)C)C[C@H]1C	ZINC001106174059	871604002	/nfs/dbraw/zinc/60/40/02/871604002.db2.gz	SZTXAKXRFOAHRS-HUUCEWRRSA-N	1	0	366.506	1.365	20	30		FDEDRO
C[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@]3(C)C2)CC1	ZINC000992740402	871714939	/nfs/dbraw/zinc/71/49/39/871714939.db2.gz	OLTZTBGAWZJMLU-UZLBHIALSA-N	1	0	369.469	1.149	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)c2c(C)noc2C)[C@H](OC)C1	ZINC001212483501	871995319	/nfs/dbraw/zinc/99/53/19/871995319.db2.gz	KLNJRUNLBBGCPL-KBRIMQKVSA-N	1	0	365.474	1.803	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[NH+]1CCCC1	ZINC001003089685	872540230	/nfs/dbraw/zinc/54/02/30/872540230.db2.gz	NNOAFSBTCCFRRQ-BCDMZGRMSA-N	1	0	361.486	1.312	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@H]2C)cc1	ZINC000994413903	882647804	/nfs/dbraw/zinc/64/78/04/882647804.db2.gz	YWIJRRCNGKRDBI-FUHIMQAGSA-N	1	0	367.493	1.977	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1)C1CC[NH+](C)CC1	ZINC000914417913	872791925	/nfs/dbraw/zinc/79/19/25/872791925.db2.gz	XTBUCGURBGHSFV-INIZCTEOSA-N	1	0	354.454	1.531	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NCC)[C@H](C)C1	ZINC001106190166	873242189	/nfs/dbraw/zinc/24/21/89/873242189.db2.gz	WNVIOPRALQXEOJ-QLFBSQMISA-N	1	0	352.479	1.261	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1	ZINC000992957634	873379939	/nfs/dbraw/zinc/37/99/39/873379939.db2.gz	CZWXVGHMNDOEBX-CSODHUTKSA-N	1	0	359.514	1.847	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](C[NH2+]CCOCCOC)[C@H](C)C1)OCC	ZINC001106197149	873443024	/nfs/dbraw/zinc/44/30/24/873443024.db2.gz	JGHVBRDNRNMIRG-KZNAEPCWSA-N	1	0	356.507	1.705	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@@H](O)C1	ZINC001083719233	873509175	/nfs/dbraw/zinc/50/91/75/873509175.db2.gz	VGYRULUHAJEBNL-IKGGRYGDSA-N	1	0	355.910	1.697	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001003501665	873610861	/nfs/dbraw/zinc/61/08/61/873610861.db2.gz	SCGZAIBFBWFXTE-ZKXLYKBJSA-N	1	0	370.497	1.876	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2cccc(OCC(N)=O)c2)C[C@H]1C	ZINC001106207084	873712212	/nfs/dbraw/zinc/71/22/12/873712212.db2.gz	LDEWOLHGTZLDPI-NVXWUHKLSA-N	1	0	359.470	1.815	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C[C@H](C)N1CC#N	ZINC000922203777	873712486	/nfs/dbraw/zinc/71/24/86/873712486.db2.gz	WKBBGTHXDNWEMT-IXDOHACOSA-N	1	0	351.495	1.115	20	30		FDEDRO
C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000914442649	873846820	/nfs/dbraw/zinc/84/68/20/873846820.db2.gz	JYIBUNWIICPEAW-FXDIGPMBSA-N	1	0	362.474	1.624	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(NC(C)=O)cn2)C[C@H]1C	ZINC001106220152	873953504	/nfs/dbraw/zinc/95/35/04/873953504.db2.gz	JZAZUZWZKUEOMR-GDBMZVCRSA-N	1	0	360.458	1.540	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C3(CCOC)CC3)C[C@H]2C)C1=O	ZINC001106230522	874028729	/nfs/dbraw/zinc/02/87/29/874028729.db2.gz	UWZDKNSKMUEEQP-ZACQAIPSSA-N	1	0	363.502	1.274	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3nccn3C)[C@H](C)C2)CCOCC1	ZINC001106232785	874037334	/nfs/dbraw/zinc/03/73/34/874037334.db2.gz	KGUGBVREWLBOGN-IAGOWNOFSA-N	1	0	358.486	1.424	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCCC)[C@H](C)C2)CCOCC1	ZINC001106232947	874038558	/nfs/dbraw/zinc/03/85/58/874038558.db2.gz	QSMSVZMTKBYDHP-IAGOWNOFSA-N	1	0	363.502	1.017	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]CC(=O)NC3CCCC3)[C@H](C)C2)CCC1	ZINC001106236482	874063571	/nfs/dbraw/zinc/06/35/71/874063571.db2.gz	QRQLBILFDMVVHM-IAGOWNOFSA-N	1	0	359.514	1.923	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)NC2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106240076	874080567	/nfs/dbraw/zinc/08/05/67/874080567.db2.gz	JEYLXHHBDISWAX-YZGWKJHDSA-N	1	0	367.493	1.639	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(F)c(C)cc2F)C[C@H]1C	ZINC001106282633	874417594	/nfs/dbraw/zinc/41/75/94/874417594.db2.gz	HTLFAWBLEYROJV-ZIAGYGMSSA-N	1	0	365.424	1.873	20	30		FDEDRO
CCN(C(=O)Cn1cnc(C#N)n1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1	ZINC000495060042	874425323	/nfs/dbraw/zinc/42/53/23/874425323.db2.gz	PMGPVWLRBMTWCZ-RDJZCZTQSA-N	1	0	352.442	1.834	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CC(OC)C2)C[C@H]1C	ZINC001106291821	874541774	/nfs/dbraw/zinc/54/17/74/874541774.db2.gz	MBNYVQNNPPKZDV-RZZCCWGQSA-N	1	0	363.502	1.296	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)nnn3C)C[C@H]1C	ZINC001106320776	874773403	/nfs/dbraw/zinc/77/34/03/874773403.db2.gz	FZQYIVMCUUTNGK-GDBMZVCRSA-N	1	0	357.458	1.469	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NC3CC3)[C@H](C)C2)cc1	ZINC001106330709	874802562	/nfs/dbraw/zinc/80/25/62/874802562.db2.gz	BQYYAXBVVCDJTH-NVXWUHKLSA-N	1	0	371.481	1.828	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C3(COCC)CC3)C[C@H]2C)C1=O	ZINC001106339720	874835376	/nfs/dbraw/zinc/83/53/76/874835376.db2.gz	ZVFMHWHLMLUWPP-ZACQAIPSSA-N	1	0	363.502	1.274	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCc1ccc(C#N)cc1F)C2	ZINC000917055962	882873510	/nfs/dbraw/zinc/87/35/10/882873510.db2.gz	NBMXDHPUFCEENJ-MLYOOKFZSA-N	1	0	374.460	1.976	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2sccc2-n2cnnn2)C[C@H]1C	ZINC001106373501	874979195	/nfs/dbraw/zinc/97/91/95/874979195.db2.gz	HOWMVIVPLBZBDS-ZYHUDNBSSA-N	1	0	366.878	1.774	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(C(C)C)n2)C[C@H]1C	ZINC001106380733	874983983	/nfs/dbraw/zinc/98/39/83/874983983.db2.gz	ODTORLAVPITDCO-HZPDHXFCSA-N	1	0	356.470	1.252	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H]3CN(C(=O)C[C@H]4CC[N@@H+](C)C4)C[C@]3(C)C2)C1	ZINC000993156843	875088474	/nfs/dbraw/zinc/08/84/74/875088474.db2.gz	OCGODKPOUGERTE-LLGFUMIMSA-N	1	0	359.514	1.991	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3CN(C(=O)[C@H](CC)[NH+](C)C)C[C@]3(C)C2)c1	ZINC000993160435	875175826	/nfs/dbraw/zinc/17/58/26/875175826.db2.gz	CBPLVQNTBPXXNY-LQWHRVPQSA-N	1	0	368.481	1.324	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106465075	875506174	/nfs/dbraw/zinc/50/61/74/875506174.db2.gz	GMXFANOZIJENET-HGHGUNKESA-N	1	0	353.466	1.248	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106465405	875507598	/nfs/dbraw/zinc/50/75/98/875507598.db2.gz	LYPKGXMVZCHBOV-CEQIKUNHSA-N	1	0	371.456	1.388	20	30		FDEDRO
C#CCN(C(=O)NC1CCN(CC(F)(F)F)CC1)C1CC[NH+](C)CC1	ZINC000915130428	875560862	/nfs/dbraw/zinc/56/08/62/875560862.db2.gz	HSPWODHAUWZFRP-UHFFFAOYSA-N	1	0	360.424	1.752	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2occ3c2CCC3)C[C@H]1C	ZINC001106479939	875608137	/nfs/dbraw/zinc/60/81/37/875608137.db2.gz	YNYYXVKKVWEIPR-IJEWVQPXSA-N	1	0	359.470	1.757	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cccn3)nc2)C[C@H]1C	ZINC001106502060	875729346	/nfs/dbraw/zinc/72/93/46/875729346.db2.gz	ONUZBNOWJUCMOW-SJLPKXTDSA-N	1	0	367.453	1.215	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@]3(C)C2)cn1	ZINC000993189780	875770636	/nfs/dbraw/zinc/77/06/36/875770636.db2.gz	ACWJKTCOFZDILD-DJPFJPOOSA-N	1	0	368.481	1.324	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C2(n3cnnn3)CCCCC2)C[C@H]1C	ZINC001106517691	875813268	/nfs/dbraw/zinc/81/32/68/875813268.db2.gz	PKHAMMBYLGQICH-IAGOWNOFSA-N	1	0	360.506	1.983	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@@H]2CCCO2)[C@H](C)C1	ZINC001106517878	875814472	/nfs/dbraw/zinc/81/44/72/875814472.db2.gz	XJIKFSQUTGQEGN-ZACQAIPSSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCNS(=O)(=O)CC)[C@H](C)C1	ZINC001106518013	875814509	/nfs/dbraw/zinc/81/45/09/875814509.db2.gz	CIMAPTPWHAGPIZ-HUUCEWRRSA-N	1	0	359.536	1.212	20	30		FDEDRO
C[C@@H](CC(N)=O)C(=O)N1C[C@@H](C[NH2+]Cc2cc(C#N)ccc2F)[C@H](C)C1	ZINC001106522177	875827296	/nfs/dbraw/zinc/82/72/96/875827296.db2.gz	GBXSTNFXLMTLES-WOSRLPQWSA-N	1	0	360.433	1.393	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCC2(O)CCC3(CC2)OCCO3)CC1	ZINC000917097864	882967020	/nfs/dbraw/zinc/96/70/20/882967020.db2.gz	LKGAQFQFCBUQMM-UHFFFAOYSA-N	1	0	367.490	1.374	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H](C)C1	ZINC000994483109	882975942	/nfs/dbraw/zinc/97/59/42/882975942.db2.gz	QYLFUWOSXYDBAE-ZACQAIPSSA-N	1	0	365.518	1.519	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2cccnc2)[C@H](C)C1	ZINC001106558306	875950803	/nfs/dbraw/zinc/95/08/03/875950803.db2.gz	SVXKVJFDYLZARI-IEBWSBKVSA-N	1	0	370.497	1.576	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCOCC2)[C@H](C)C1	ZINC001106563561	875962732	/nfs/dbraw/zinc/96/27/32/875962732.db2.gz	DUMLNQGPWAEOOG-BRWVUGGUSA-N	1	0	351.491	1.132	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NCC)[C@H](C)C1	ZINC001106563970	875962832	/nfs/dbraw/zinc/96/28/32/875962832.db2.gz	OEPFRRYMVZMCRV-RBSFLKMASA-N	1	0	352.479	1.119	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CCNS(=O)(=O)CC)[C@H](C)C1	ZINC001106563939	875963091	/nfs/dbraw/zinc/96/30/91/875963091.db2.gz	NGZALAWYSKDMJD-BZUAXINKSA-N	1	0	359.536	1.212	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)[C@H](C)C1	ZINC001106564048	875963721	/nfs/dbraw/zinc/96/37/21/875963721.db2.gz	QZRIOVRCLWJRTD-ARFHVFGLSA-N	1	0	359.536	1.164	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@@H]2CCCO2)[C@H](C)C1	ZINC001106559249	875966642	/nfs/dbraw/zinc/96/66/42/875966642.db2.gz	KVQPFOWJICJACI-KURKYZTESA-N	1	0	363.502	1.159	20	30		FDEDRO
Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1	ZINC001106566259	875972952	/nfs/dbraw/zinc/97/29/52/875972952.db2.gz	BXHXAKJAVXURLC-CRAIPNDOSA-N	1	0	364.449	1.840	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCOC)[C@H](C)C1	ZINC001106567688	875977106	/nfs/dbraw/zinc/97/71/06/875977106.db2.gz	PUHQQZKSUQQBEV-IXDOHACOSA-N	1	0	353.507	1.426	20	30		FDEDRO
CC#CCN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1	ZINC000762495882	875988020	/nfs/dbraw/zinc/98/80/20/875988020.db2.gz	URBDDCZDAZSHDE-MRXNPFEDSA-N	1	0	372.494	1.709	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1C	ZINC001106576039	876008383	/nfs/dbraw/zinc/00/83/83/876008383.db2.gz	SFZQMQXMMSCMKJ-HZSPNIEDSA-N	1	0	355.429	1.244	20	30		FDEDRO
CO[C@@H](C(=O)N[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H]1OC)C1CC1	ZINC001212203093	876079735	/nfs/dbraw/zinc/07/97/35/876079735.db2.gz	CBKIHRZDCKMALB-KZNAEPCWSA-N	1	0	361.417	1.438	20	30		FDEDRO
C[C@@H](OC(=O)CSCC#N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000915386471	876216587	/nfs/dbraw/zinc/21/65/87/876216587.db2.gz	MEKRBCDCCKHXBO-GDBMZVCRSA-N	1	0	361.467	1.566	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCc2ccccc2)C[C@H]1C	ZINC001106620313	876224947	/nfs/dbraw/zinc/22/49/47/876224947.db2.gz	ZKFGDACSRUUVTL-WSTZPKSXSA-N	1	0	369.509	1.831	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106625822	876261030	/nfs/dbraw/zinc/26/10/30/876261030.db2.gz	WQQLCEDSPFALMF-GDBMZVCRSA-N	1	0	370.428	1.614	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]C[C@H](O)COCCOC)[C@H](C)C2)CCC1	ZINC001106636118	876319091	/nfs/dbraw/zinc/31/90/91/876319091.db2.gz	UJVDSYAQUOINBL-KURKYZTESA-N	1	0	368.518	1.441	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]CCO[C@H]3CC3(F)F)[C@H](C)C2)c1	ZINC001106650642	876389547	/nfs/dbraw/zinc/38/95/47/876389547.db2.gz	XELSABYOAXMQJR-XYPHTWIQSA-N	1	0	363.408	1.785	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N[C@H](C)C(C)C)[C@H](C)C2)c1	ZINC001106651379	876391639	/nfs/dbraw/zinc/39/16/39/876391639.db2.gz	STODMKXLCITAPL-GPMSIDNRSA-N	1	0	370.497	1.521	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCC(F)(F)C2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106657662	876427798	/nfs/dbraw/zinc/42/77/98/876427798.db2.gz	MHVQQVVRNAAWMD-MGPQQGTHSA-N	1	0	356.417	1.136	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccn3cc(C)nc3c2)C[C@H]1C	ZINC001106665297	876473971	/nfs/dbraw/zinc/47/39/71/876473971.db2.gz	QUIBCTDUWXFWIC-RHSMWYFYSA-N	1	0	369.469	1.243	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2OCC[C@H]2C)C[C@H]1C	ZINC001106678199	876529679	/nfs/dbraw/zinc/52/96/79/876529679.db2.gz	BXWNLFZRGYXCRG-MTNOOBJLSA-N	1	0	363.502	1.296	20	30		FDEDRO
CCOC(=O)Nc1ccc(NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1C#N	ZINC000762871769	876881971	/nfs/dbraw/zinc/88/19/71/876881971.db2.gz	KWZMRAMZJOWVSU-KRWDZBQOSA-N	1	0	361.402	1.315	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COCCOC)[C@H](C)C1	ZINC001106711066	876900321	/nfs/dbraw/zinc/90/03/21/876900321.db2.gz	JTASLVIGUSTPEM-BRWVUGGUSA-N	1	0	356.507	1.297	20	30		FDEDRO
C[C@H](Cc1cccs1)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106715223	876926957	/nfs/dbraw/zinc/92/69/57/876926957.db2.gz	BWQJSJOGXWHKLA-RBSFLKMASA-N	1	0	362.499	1.251	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2nnc3ccccc3c2O)C[C@H]1C	ZINC001106717454	876940102	/nfs/dbraw/zinc/94/01/02/876940102.db2.gz	AIRMRRUKWVBFLV-HUUCEWRRSA-N	1	0	368.437	1.283	20	30		FDEDRO
C[C@@H]1CN(C(=O)COC[C@@H]2CCOC2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001106724119	876981302	/nfs/dbraw/zinc/98/13/02/876981302.db2.gz	BTCDLNRQXXARMP-NSISKUIASA-N	1	0	371.481	1.795	20	30		FDEDRO
C=CCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1	ZINC001003776423	877172414	/nfs/dbraw/zinc/17/24/14/877172414.db2.gz	QNRWPOSDELJNCW-PKOBYXMFSA-N	1	0	356.470	1.758	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1nnnc1C(C)C)C2	ZINC001112542224	877334697	/nfs/dbraw/zinc/33/46/97/877334697.db2.gz	MCIDRGDFMOFEBD-LPHOPBHVSA-N	1	0	360.506	1.981	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)C2CC2)C[C@H]1C	ZINC001106737719	877338981	/nfs/dbraw/zinc/33/89/81/877338981.db2.gz	OKLJJQFEIIVTIF-NXHRZFHOSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]CC[C@H]3CCCCO3)[C@H](C)C2)nn1	ZINC001106743192	877438998	/nfs/dbraw/zinc/43/89/98/877438998.db2.gz	BXOVZOUOVJREDI-BRWVUGGUSA-N	1	0	361.490	1.721	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2F)C[C@H]1C	ZINC001106746872	877441944	/nfs/dbraw/zinc/44/19/44/877441944.db2.gz	CRVUHKQOCYPQRH-XYVMCAHJSA-N	1	0	373.472	1.916	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCC2)C[C@H]1C	ZINC001106750612	877498924	/nfs/dbraw/zinc/49/89/24/877498924.db2.gz	PWEBAOZWPDEPOA-OQIJWPOYSA-N	1	0	374.529	1.869	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC)[C@H](C)C1	ZINC001106753871	877561873	/nfs/dbraw/zinc/56/18/73/877561873.db2.gz	UYOQGFYKACUTAB-CBZIJGRNSA-N	1	0	351.491	1.130	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)nc(C)n2)C[C@H]1C	ZINC001106760073	877607612	/nfs/dbraw/zinc/60/76/12/877607612.db2.gz	NWQTUVDDGKREJY-XNRPHZJLSA-N	1	0	359.474	1.082	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000272496311	877656149	/nfs/dbraw/zinc/65/61/49/877656149.db2.gz	GBFANRXVOLOAOS-SJORKVTESA-N	1	0	355.442	1.447	20	30		FDEDRO
C=CCC1(O)CCN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1	ZINC000888282695	877708758	/nfs/dbraw/zinc/70/87/58/877708758.db2.gz	CVMDLEILPDOZAJ-QGZVFWFLSA-N	1	0	351.491	1.742	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)COC)C[C@H]1C	ZINC001106818501	878265990	/nfs/dbraw/zinc/26/59/90/878265990.db2.gz	OFXONIRXNSATLM-GVDBMIGSSA-N	1	0	366.506	1.105	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)Cc2nonc2C)C[C@H]1C	ZINC001106821017	878282383	/nfs/dbraw/zinc/28/23/83/878282383.db2.gz	NJSAGVZKZTXHCU-BXKDBHETSA-N	1	0	357.252	1.513	20	30		FDEDRO
C#CCN(C(=O)NCc1ccc(C[S@@](C)=O)cc1)C1CC[NH+](C)CC1	ZINC000922472716	878295126	/nfs/dbraw/zinc/29/51/26/878295126.db2.gz	HKICKWJJXSBKNS-RUZDIDTESA-N	1	0	361.511	1.804	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CCOc4ccccc43)[C@H]2C1	ZINC001083163845	912367628	/nfs/dbraw/zinc/36/76/28/912367628.db2.gz	ZIVMVGHCKRWCGJ-XKGZKEIXSA-N	1	0	354.450	1.878	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC(=O)Nc4ccccc43)[C@H]2C1	ZINC001083157907	912387978	/nfs/dbraw/zinc/38/79/78/912387978.db2.gz	WJYWMQKMDKHOIK-RYQLBKOJSA-N	1	0	353.422	1.047	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)C(C)C	ZINC000428914577	878824777	/nfs/dbraw/zinc/82/47/77/878824777.db2.gz	MSRLHCWRCKCAQB-BRSBDYLESA-N	1	0	362.518	1.994	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1	ZINC000922628091	878847218	/nfs/dbraw/zinc/84/72/18/878847218.db2.gz	BNMVAFNFTAHVEY-QGZVFWFLSA-N	1	0	354.458	1.494	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N[C@H]1C[C@H](OC(C)(C)C)C12CCOCC2	ZINC000922628957	878850747	/nfs/dbraw/zinc/85/07/47/878850747.db2.gz	HXOYKLWATYHEPA-IRXDYDNUSA-N	1	0	365.518	1.994	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N[C@@H]1C[C@H](OC(C)(C)C)C12CCOCC2	ZINC000922628959	878851147	/nfs/dbraw/zinc/85/11/47/878851147.db2.gz	HXOYKLWATYHEPA-SJORKVTESA-N	1	0	365.518	1.994	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1C[C@@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O	ZINC000922719484	879094223	/nfs/dbraw/zinc/09/42/23/879094223.db2.gz	HQWDBTOGLOTDCL-VMENWCDDSA-N	1	0	351.491	1.499	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(-n3ccnc3)ccn2)C[C@H]1C	ZINC001106829794	879224586	/nfs/dbraw/zinc/22/45/86/879224586.db2.gz	FARZQQDRALGMTN-IAGOWNOFSA-N	1	0	367.453	1.215	20	30		FDEDRO
C=C(Cl)CN1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)[C@H]2C1	ZINC001083173088	912470185	/nfs/dbraw/zinc/47/01/85/912470185.db2.gz	RWORRTPWQSHPSE-IXDOHACOSA-N	1	0	355.910	1.773	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH]c4cnccc34)[C@H]2C1	ZINC001083174690	912488189	/nfs/dbraw/zinc/48/81/89/912488189.db2.gz	UAWYRMNCEJIODD-RBUKOAKNSA-N	1	0	354.454	1.983	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)CC[N@@H+]1C	ZINC000993862927	879821658	/nfs/dbraw/zinc/82/16/58/879821658.db2.gz	FDDTWTPFZNAFKJ-NYCLONFESA-N	1	0	371.485	1.441	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCc4ccccc43)C[C@@H]2O)nn1	ZINC001083843392	879972549	/nfs/dbraw/zinc/97/25/49/879972549.db2.gz	FVDXBTUNGNQMRA-NEWSRXKRSA-N	1	0	367.453	1.317	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3c(C)[nH]c4ccccc43)[C@H]2C1	ZINC001083180647	912530599	/nfs/dbraw/zinc/53/05/99/912530599.db2.gz	SVNGEOSFCPAJKH-VQTJNVASSA-N	1	0	351.450	1.954	20	30		FDEDRO
CC(C)[C@H](C(=O)N1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)[C@H](C)C1)[NH+](C)C	ZINC000993913711	880129436	/nfs/dbraw/zinc/12/94/36/880129436.db2.gz	KJSWUTBPUQFHTM-FRFSOERESA-N	1	0	359.474	1.297	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2cc(C)cc(C)c2)C[C@H]1C	ZINC001106837518	880205247	/nfs/dbraw/zinc/20/52/47/880205247.db2.gz	JWTJIFSDFBDDPL-UYAOXDASSA-N	1	0	369.509	1.670	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C3CC3)C[C@H]2C)CC1	ZINC000994135095	880712432	/nfs/dbraw/zinc/71/24/32/880712432.db2.gz	IJDQADGQNCORHL-GEALJGNFSA-N	1	0	371.525	1.588	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C	ZINC000994166258	880881420	/nfs/dbraw/zinc/88/14/20/880881420.db2.gz	UVDGVZVBMNZYCE-IXDOHACOSA-N	1	0	358.486	1.450	20	30		FDEDRO
C=C1CCC(C(=O)N2CCO[C@@H]3C[N@@H+]([C@H]4CCCN(C)C4=O)C[C@@H]32)CC1	ZINC001083184105	912620564	/nfs/dbraw/zinc/62/05/64/912620564.db2.gz	QFUDKWULPIMTBU-OKZBNKHCSA-N	1	0	361.486	1.265	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)c1	ZINC000994217594	881056255	/nfs/dbraw/zinc/05/62/55/881056255.db2.gz	PADGJASNUSNFBL-DNVCBOLYSA-N	1	0	368.481	1.229	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)COCc2nc(CC)no2)C[C@H]1C	ZINC001106859990	881153229	/nfs/dbraw/zinc/15/32/29/881153229.db2.gz	DJNWDPDDJLTXRQ-HUUCEWRRSA-N	1	0	350.463	1.799	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](CC3CCC(C)CC3)C[C@@H]2O)nn1	ZINC001083846489	881179136	/nfs/dbraw/zinc/17/91/36/881179136.db2.gz	BABFFYGWIGQFEJ-IOTAOYMUSA-N	1	0	361.490	1.455	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCc4ccccc43)C[C@@H]2O)nn1	ZINC001083846870	881208513	/nfs/dbraw/zinc/20/85/13/881208513.db2.gz	XAAROGQIDWNZMN-QRQLOZEOSA-N	1	0	367.453	1.317	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)NC1CCC2(CC1)CC[NH+](C)CC2	ZINC000915970176	881258680	/nfs/dbraw/zinc/25/86/80/881258680.db2.gz	MKUDWUFGSOPGDN-HNNXBMFYSA-N	1	0	356.536	1.957	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](NC(=O)COC)C(C)C)C2	ZINC001112542920	883231828	/nfs/dbraw/zinc/23/18/28/883231828.db2.gz	YSPJULPBFFPCBI-QRFRQXIXSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=C(CNC(=O)NCCCC[NH+]1CCN(CCO)CC1)c1ccccc1	ZINC000497460249	883248841	/nfs/dbraw/zinc/24/88/41/883248841.db2.gz	BACFYQSARSAQNC-UHFFFAOYSA-N	1	0	360.502	1.389	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C)C[C@@H]1n1ccnn1	ZINC001128811865	883700313	/nfs/dbraw/zinc/70/03/13/883700313.db2.gz	GXIHALLPHIBSNX-MSOLQXFVSA-N	1	0	355.442	1.331	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](CC2CCC(C)(C)CC2)C[C@@H]1n1ccnn1	ZINC001128829145	883750570	/nfs/dbraw/zinc/75/05/70/883750570.db2.gz	CFNWICWQZSGECY-OIISXLGYSA-N	1	0	358.490	1.996	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2C)[C@@H](n2ccnn2)C1	ZINC001128838527	883813445	/nfs/dbraw/zinc/81/34/45/883813445.db2.gz	IGOKJUPHWAVHSG-XYPHTWIQSA-N	1	0	357.462	1.330	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2C)[C@@H](n2ccnn2)C1	ZINC001128838526	883814426	/nfs/dbraw/zinc/81/44/26/883814426.db2.gz	IGOKJUPHWAVHSG-XKQJLSEDSA-N	1	0	357.462	1.330	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2oc(C)nc2C)[C@@H](n2ccnn2)C1	ZINC001128851099	883844046	/nfs/dbraw/zinc/84/40/46/883844046.db2.gz	AOUPRWHGLJGUFN-MAZHCROVSA-N	1	0	358.446	1.893	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cncc(C)c2)[C@@H](n2ccnn2)C1	ZINC001128869180	883875176	/nfs/dbraw/zinc/87/51/76/883875176.db2.gz	GZNYFSRFPKGKQQ-JQHSSLGASA-N	1	0	354.458	1.992	20	30		FDEDRO
C[NH+]1CCN(CC2CN(S(=O)(=O)c3cccc(Cl)c3C#N)C2)CC1	ZINC000917902950	883909025	/nfs/dbraw/zinc/90/90/25/883909025.db2.gz	FYVQNQLBFSEVTE-UHFFFAOYSA-N	1	0	368.890	1.080	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(C)ncn2)[C@@H](n2ccnn2)C1	ZINC001128892000	883971286	/nfs/dbraw/zinc/97/12/86/883971286.db2.gz	XOQXVUKAXUBZSM-UAGQMJEPSA-N	1	0	355.446	1.387	20	30		FDEDRO
CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1	ZINC001034246397	883999186	/nfs/dbraw/zinc/99/91/86/883999186.db2.gz	FVVOUCDPHYEWAR-YQVWRLOYSA-N	1	0	358.486	1.975	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@@H]1n1ccnn1	ZINC001128938823	884138653	/nfs/dbraw/zinc/13/86/53/884138653.db2.gz	ALAWQAGHTSUIEJ-KURKYZTESA-N	1	0	359.474	1.240	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](C[C@H](OC)C2CCCC2)C[C@@H]1O	ZINC001083999326	912804976	/nfs/dbraw/zinc/80/49/76/912804976.db2.gz	KWRORQIRFMYCSA-HKBOAZHASA-N	1	0	370.493	1.577	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(c3ncc(C#N)cc3Cl)C2)CC[N@@H+]1C	ZINC001061757843	884460190	/nfs/dbraw/zinc/46/01/90/884460190.db2.gz	PFDCNHLUODWLDB-VNHYZAJKSA-N	1	0	361.877	1.889	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCCCCF)C[C@@H]1n1ccnn1	ZINC001128961335	884485034	/nfs/dbraw/zinc/48/50/34/884485034.db2.gz	CNCIJPOSIHBFCD-HLLBOEOZSA-N	1	0	353.442	1.087	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)cc1	ZINC000262754262	884584620	/nfs/dbraw/zinc/58/46/20/884584620.db2.gz	KDPZTSWPZURJQA-MRXNPFEDSA-N	1	0	353.426	1.976	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)o1	ZINC001128981976	884597371	/nfs/dbraw/zinc/59/73/71/884597371.db2.gz	ITEIIORUZVLYJG-MQVJKMGUSA-N	1	0	357.458	1.813	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)CC1	ZINC001078971616	884655423	/nfs/dbraw/zinc/65/54/23/884655423.db2.gz	CHFIJVPZEHGMEJ-AOIWGVFYSA-N	1	0	365.518	1.759	20	30		FDEDRO
C=CCOCC(=O)N1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1	ZINC001078974629	884713928	/nfs/dbraw/zinc/71/39/28/884713928.db2.gz	XNEUDPRIFRDMKD-FGTMMUONSA-N	1	0	365.518	1.759	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C[NH+](C)C)CC2)cc1	ZINC000918695672	884846985	/nfs/dbraw/zinc/84/69/85/884846985.db2.gz	NZXOWWAQYLRQFM-UHFFFAOYSA-N	1	0	363.483	1.012	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)CC2)c1	ZINC001034735999	884929490	/nfs/dbraw/zinc/92/94/90/884929490.db2.gz	PEQQGIIGFWMEPO-FPCVCCKLSA-N	1	0	358.417	1.336	20	30		FDEDRO
C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C1	ZINC000918956002	885078925	/nfs/dbraw/zinc/07/89/25/885078925.db2.gz	HUABMUNFICYYNU-OAHLLOKOSA-N	1	0	357.863	1.289	20	30		FDEDRO
C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC000999537151	912907344	/nfs/dbraw/zinc/90/73/44/912907344.db2.gz	BKHQJSVSRCKJDI-BXNZUYAZSA-N	1	0	356.470	1.756	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(C[NH2+]Cc2cnnn2C)cc1	ZINC001034829250	885239757	/nfs/dbraw/zinc/23/97/57/885239757.db2.gz	PMYULSBPKLOABJ-MSOLQXFVSA-N	1	0	355.442	1.312	20	30		FDEDRO
CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C[C@H]1C	ZINC000498548541	885239903	/nfs/dbraw/zinc/23/99/03/885239903.db2.gz	AMPUODJSOGRYDQ-ZIAGYGMSSA-N	1	0	352.442	1.881	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCc4ccccc43)C[C@@H]2O)cn1	ZINC001083968737	912914255	/nfs/dbraw/zinc/91/42/55/912914255.db2.gz	CESGPKNJPPEOGK-NJYVYQBISA-N	1	0	361.445	1.915	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](OC)C2CCC2)C[C@@H]1n1ccnn1	ZINC001129029867	885343802	/nfs/dbraw/zinc/34/38/02/885343802.db2.gz	NFURMKNLYBVLEF-FGTMMUONSA-N	1	0	361.490	1.791	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)C[C@@H]2O)cn1	ZINC001083971112	912925858	/nfs/dbraw/zinc/92/58/58/912925858.db2.gz	YEITUHUNRCXTNT-UXHICEINSA-N	1	0	360.417	1.519	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1CNCc1nnnn1CCC	ZINC001034941423	885395628	/nfs/dbraw/zinc/39/56/28/885395628.db2.gz	JCFXPQQCRIZAFH-OAGGEKHMSA-N	1	0	362.478	1.145	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cnccc2C)[C@@H](n2ccnn2)C1	ZINC001129052452	885578589	/nfs/dbraw/zinc/57/85/89/885578589.db2.gz	FRXBLIHBYFMSHB-QRQLOZEOSA-N	1	0	368.485	1.920	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)Cc2nc(CC)c[nH]2)[C@@H](n2ccnn2)C1	ZINC001129053522	885586617	/nfs/dbraw/zinc/58/66/17/885586617.db2.gz	ZVRWJDQPRUSCEA-CVEARBPZSA-N	1	0	357.462	1.114	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)[C@@H](n2ccnn2)C1	ZINC001129060897	885631255	/nfs/dbraw/zinc/63/12/55/885631255.db2.gz	WSMJJDMECZTSEG-SRABZTEZSA-N	1	0	355.446	1.113	20	30		FDEDRO
CC1(C)C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC001089492687	885684792	/nfs/dbraw/zinc/68/47/92/885684792.db2.gz	MSEDPCPBIRDGKY-KSZLIROESA-N	1	0	368.481	1.786	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2cncn2C)[C@@H](n2ccnn2)C1	ZINC001129093416	885721992	/nfs/dbraw/zinc/72/19/92/885721992.db2.gz	GVHQSLYNYXDEPY-WBVHZDCISA-N	1	0	357.462	1.413	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)NCC(C)C)[C@H](C)C2)nc1	ZINC001106894662	885767266	/nfs/dbraw/zinc/76/72/66/885767266.db2.gz	ROPLMSOEGZVEPT-SOLBZPMBSA-N	1	0	370.497	1.521	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2(COC)CCC2)[C@@H](n2ccnn2)C1	ZINC001129118773	885789389	/nfs/dbraw/zinc/78/93/89/885789389.db2.gz	PNJZRPVQFDBADM-ZACQAIPSSA-N	1	0	361.490	1.791	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)NCC=C)[C@H](C)C2)nc1	ZINC001106894894	885813736	/nfs/dbraw/zinc/81/37/36/885813736.db2.gz	YGVQKTWMOGZYBR-BFYDXBDKSA-N	1	0	354.454	1.051	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(CCC)n[nH]2)[C@@H](n2ccnn2)C1	ZINC001129139544	885843446	/nfs/dbraw/zinc/84/34/46/885843446.db2.gz	MCICFCDLUCCNJJ-OLMNPRSZSA-N	1	0	371.489	1.964	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1n1ccnn1	ZINC001129147712	885875793	/nfs/dbraw/zinc/87/57/93/885875793.db2.gz	MTLWVDKRDYYKQG-BBWFWOEESA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1n1ccnn1	ZINC001129159604	885892556	/nfs/dbraw/zinc/89/25/56/885892556.db2.gz	MQLDHWSCDTUORG-CABCVRRESA-N	1	0	360.487	1.531	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1n1ccnn1	ZINC001129159864	885894759	/nfs/dbraw/zinc/89/47/59/885894759.db2.gz	ZLXPSKOJLDUBBN-SJORKVTESA-N	1	0	361.490	1.649	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@@H]1n1ccnn1	ZINC001129159858	885894821	/nfs/dbraw/zinc/89/48/21/885894821.db2.gz	ZATITHPJZYROQL-OAGGEKHMSA-N	1	0	361.490	1.647	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N[C@H](C)C3CC3)[C@H](C)C2)cn1	ZINC001106896467	886068142	/nfs/dbraw/zinc/06/81/42/886068142.db2.gz	LDMCPPRVQNBDFE-IIDMSEBBSA-N	1	0	368.481	1.275	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H](C)C(F)(F)F)[C@@H](n2ccnn2)C1	ZINC001129199413	886266312	/nfs/dbraw/zinc/26/63/12/886266312.db2.gz	IGLQZKNILVESKR-XQQFMLRXSA-N	1	0	361.368	1.021	20	30		FDEDRO
C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)CC2	ZINC001035733653	886398473	/nfs/dbraw/zinc/39/84/73/886398473.db2.gz	GRZYCMOHTOHKDR-KGLIPLIRSA-N	1	0	362.392	1.833	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CC/C=C\CC)C[C@@H]2n2ccnn2)c1	ZINC001129253236	886873981	/nfs/dbraw/zinc/87/39/81/886873981.db2.gz	SUJZCYFCUSGWSD-WYNBNGFRSA-N	1	0	364.453	1.666	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2nc(C)cc(C#N)n2)CC[N@@H+]1C	ZINC001062046852	886937132	/nfs/dbraw/zinc/93/71/32/886937132.db2.gz	RUJNXLPDHZUIMM-XWTMOSNGSA-N	1	0	368.485	1.567	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)C[N@@H+](C)CCC)CC1	ZINC001079015175	887102476	/nfs/dbraw/zinc/10/24/76/887102476.db2.gz	QWBIXRACWXDUTE-KURKYZTESA-N	1	0	365.518	1.759	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)nc1	ZINC000377990533	887159180	/nfs/dbraw/zinc/15/91/80/887159180.db2.gz	PRVPSXFWYDNTTO-LPHOPBHVSA-N	1	0	351.454	2.497	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CNc1ccc(C#N)cn1	ZINC000497654229	887222617	/nfs/dbraw/zinc/22/26/17/887222617.db2.gz	MYVUSYYMDAELGT-UHFFFAOYSA-N	1	0	362.437	1.827	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)C[NH+](CC)CC)c1	ZINC000921078596	887428239	/nfs/dbraw/zinc/42/82/39/887428239.db2.gz	QGGDUZJVEZQYAQ-CQSZACIVSA-N	1	0	351.472	1.058	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1	ZINC000946839347	887639945	/nfs/dbraw/zinc/63/99/45/887639945.db2.gz	TXSBCWZHDLCVDT-SQNIBIBYSA-N	1	0	361.486	1.027	20	30		FDEDRO
C[C@H]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C[C@H]1C[NH3+]	ZINC000415433616	887665911	/nfs/dbraw/zinc/66/59/11/887665911.db2.gz	GYNJOMPRUGIWKG-QWHCGFSZSA-N	1	0	356.405	2.332	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CCN(c2ncccc2F)C1)C1CC[NH+](C)CC1	ZINC000921405390	887895756	/nfs/dbraw/zinc/89/57/56/887895756.db2.gz	PSGVOXNBKNRREC-HNNXBMFYSA-N	1	0	359.449	1.538	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](CCOC2CCCCCC2)C[C@H]1OC	ZINC001212257604	888069277	/nfs/dbraw/zinc/06/92/77/888069277.db2.gz	FVIMOEIFTZBMLG-RTBURBONSA-N	1	0	366.502	1.581	20	30		FDEDRO
CC[NH+](CC)CC1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)CC1	ZINC000504545511	888446155	/nfs/dbraw/zinc/44/61/55/888446155.db2.gz	BFEPLLRARWSZSU-UHFFFAOYSA-N	1	0	374.489	1.624	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000938592475	888871259	/nfs/dbraw/zinc/87/12/59/888871259.db2.gz	ZXINTYNXIKYQOI-CEXWTWQISA-N	1	0	357.498	1.437	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1	ZINC000923338016	888941570	/nfs/dbraw/zinc/94/15/70/888941570.db2.gz	WWTVETUMADURLG-UHFFFAOYSA-N	1	0	370.497	1.545	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000938609024	888952786	/nfs/dbraw/zinc/95/27/86/888952786.db2.gz	ICCQRRSWZYWLRX-HLLBOEOZSA-N	1	0	357.458	1.290	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CN(CCOc3ccccc3F)C[C@@H]2O)c1	ZINC001083765395	889066308	/nfs/dbraw/zinc/06/63/08/889066308.db2.gz	BJKKUVBNKOMGTA-MSOLQXFVSA-N	1	0	369.396	1.056	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1	ZINC000938680971	889083838	/nfs/dbraw/zinc/08/38/38/889083838.db2.gz	BDMWXFTVEIOHQF-IKGGRYGDSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000938714724	889138696	/nfs/dbraw/zinc/13/86/96/889138696.db2.gz	APHYQRAIKXWYLY-IXDOHACOSA-N	1	0	358.486	1.687	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCC3(F)F)C[C@@H]2O)c1	ZINC001083765799	889189391	/nfs/dbraw/zinc/18/93/91/889189391.db2.gz	VMQCRDBIPOBXOL-BBWFWOEESA-N	1	0	363.408	1.663	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC[N@@H+]1C	ZINC000946914453	889653688	/nfs/dbraw/zinc/65/36/88/889653688.db2.gz	NFLUBPCURKBTNF-DOTOQJQBSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)COCc1ccccc1	ZINC001127608553	889720638	/nfs/dbraw/zinc/72/06/38/889720638.db2.gz	AHCJUQGLMCXTLD-OTWHNJEPSA-N	1	0	362.470	1.251	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC000938968819	889722369	/nfs/dbraw/zinc/72/23/69/889722369.db2.gz	OLFKRUJZIDDGIZ-FHLIZLRMSA-N	1	0	354.454	1.076	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3ccccc3n2)C[C@H]1C	ZINC001106912221	889860925	/nfs/dbraw/zinc/86/09/25/889860925.db2.gz	OXCPWIWFIMYQQK-NVXWUHKLSA-N	1	0	366.465	1.835	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)N(C(C)C)C(C)C	ZINC001127613169	889942992	/nfs/dbraw/zinc/94/29/92/889942992.db2.gz	SNOGWKUDHWBPPM-BBWFWOEESA-N	1	0	353.507	1.707	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](c3ccnc(N)n3)C2)cc1	ZINC000368456794	889970521	/nfs/dbraw/zinc/97/05/21/889970521.db2.gz	DEDLCTNPQWAJAB-HNNXBMFYSA-N	1	0	350.426	2.139	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@]3(C)C=CCC3)C2)CC1	ZINC000939099576	889983164	/nfs/dbraw/zinc/98/31/64/889983164.db2.gz	LHQCVRSASXCWDA-BLIXFSHQSA-N	1	0	357.498	1.651	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@H](OC)C1	ZINC001212311821	890038833	/nfs/dbraw/zinc/03/88/33/890038833.db2.gz	YLMRAEYJBUUHKP-RBSFLKMASA-N	1	0	364.494	1.141	20	30		FDEDRO
CCCCCCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1	ZINC001106912764	890134133	/nfs/dbraw/zinc/13/41/33/890134133.db2.gz	SULQCAJZEMIZID-HUUCEWRRSA-N	1	0	354.495	1.616	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CCC1	ZINC001063046135	890146160	/nfs/dbraw/zinc/14/61/60/890146160.db2.gz	HVNNQZYPYSUXLX-ZACQAIPSSA-N	1	0	363.502	1.605	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CCN(c3ccc(C#N)nn3)C2)CC[N@@H+]1C	ZINC001063148693	890248833	/nfs/dbraw/zinc/24/88/33/890248833.db2.gz	VCFXIRQPFTVRIR-IXDOHACOSA-N	1	0	356.474	1.506	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(NC(=O)C[N@H+]2CC[C@H](C)C2)CCC1	ZINC001063205274	890295334	/nfs/dbraw/zinc/29/53/34/890295334.db2.gz	HLCJQWHLPFRASR-BQFCYCMXSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1	ZINC001063207549	890300205	/nfs/dbraw/zinc/30/02/05/890300205.db2.gz	OMCPMSCKTLRVRD-NCOADZHNSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)NC1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCC1	ZINC001063227505	890353639	/nfs/dbraw/zinc/35/36/39/890353639.db2.gz	SNUBGYCZPXSCEQ-DAYGRLMNSA-N	1	0	351.491	1.199	20	30		FDEDRO
C#Cc1ccc(C(=O)NC2(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCC2)nc1	ZINC001063227565	890355454	/nfs/dbraw/zinc/35/54/54/890355454.db2.gz	VRAKKVOJPKMQOG-FUHWJXTLSA-N	1	0	368.481	1.562	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCCN(c3ccnc(C#N)n3)C2)CC[N@@H+]1C	ZINC001063241051	890377568	/nfs/dbraw/zinc/37/75/68/890377568.db2.gz	LLABTRBEYSKWQY-OWCLPIDISA-N	1	0	356.474	1.554	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@H]1CCCO[C@H]1C(C)C	ZINC001127628633	890690175	/nfs/dbraw/zinc/69/01/75/890690175.db2.gz	NIHTZAXETPXSHN-WMZOPIPTSA-N	1	0	351.491	1.344	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1	ZINC000939762312	891212459	/nfs/dbraw/zinc/21/24/59/891212459.db2.gz	PLXAWVSNFDDDRM-ZACQAIPSSA-N	1	0	361.486	1.265	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@H]2C)c1	ZINC000940011166	891627221	/nfs/dbraw/zinc/62/72/21/891627221.db2.gz	QNZIBYDDUVJTEV-IIDMSEBBSA-N	1	0	354.454	1.124	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@H]2C)c1	ZINC000940012753	891634584	/nfs/dbraw/zinc/63/45/84/891634584.db2.gz	URQUAGJFNSCDHB-WXSAJPJJSA-N	1	0	368.481	1.370	20	30		FDEDRO
CC1CC[NH+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c[nH]c(C#N)c2)C3)CC1	ZINC001002136060	891973486	/nfs/dbraw/zinc/97/34/86/891973486.db2.gz	PKSPZPAXJWCBBS-KURKYZTESA-N	1	0	369.469	1.480	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)cc1	ZINC000940301418	892226648	/nfs/dbraw/zinc/22/66/48/892226648.db2.gz	QOAYKCWTJZOLRT-GPMSIDNRSA-N	1	0	353.466	1.586	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1	ZINC000940407444	892401551	/nfs/dbraw/zinc/40/15/51/892401551.db2.gz	DSVYDKIAZLRCSO-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]CCOCCOC)[C@H](C)C1	ZINC001106922984	892598626	/nfs/dbraw/zinc/59/86/26/892598626.db2.gz	WLDRVUOHXRMJDT-YLJYHZDGSA-N	1	0	358.482	1.558	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCC)[C@H](C)C1	ZINC001106923005	892599574	/nfs/dbraw/zinc/59/95/74/892599574.db2.gz	XHJCLDPUZDBSAM-VQIMIIECSA-N	1	0	355.482	1.421	20	30		FDEDRO
N#Cc1sc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)nc1Cl	ZINC000888411359	892987413	/nfs/dbraw/zinc/98/74/13/892987413.db2.gz	WHKIMXHSMSEVEG-ZJUUUORDSA-N	1	0	355.851	1.731	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(C(=O)NC)n2)C[C@H]1C	ZINC001106933466	893040401	/nfs/dbraw/zinc/04/04/01/893040401.db2.gz	ULYSSFCQFCOLPO-DGCLKSJQSA-N	1	0	350.850	1.491	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)CC1	ZINC000672356315	893175314	/nfs/dbraw/zinc/17/53/14/893175314.db2.gz	POHDSEXJQNHXLU-OAHLLOKOSA-N	1	0	359.474	1.272	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[C@@H]2CCCCO2)CC1	ZINC000672356947	893180252	/nfs/dbraw/zinc/18/02/52/893180252.db2.gz	QZASEZNUBCMMGJ-KRWDZBQOSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](n3ccnc3)C2)CC1	ZINC000672357443	893198023	/nfs/dbraw/zinc/19/80/23/893198023.db2.gz	ULIJDGWRQRLMQS-QGZVFWFLSA-N	1	0	359.474	1.203	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C(C)(C)C1	ZINC000940839524	893321672	/nfs/dbraw/zinc/32/16/72/893321672.db2.gz	MJYTXMOZGRUMIJ-MJBXVCDLSA-N	1	0	362.392	1.573	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1	ZINC000940880721	893389770	/nfs/dbraw/zinc/38/97/70/893389770.db2.gz	VMADLAZVLCIADF-BPQIPLTHSA-N	1	0	354.454	1.353	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2	ZINC001002709627	893678575	/nfs/dbraw/zinc/67/85/75/893678575.db2.gz	PODJBDZAKLBYNL-BBWFWOEESA-N	1	0	361.486	1.123	20	30		FDEDRO
Cc1c(-c2cc(CN3CC[C@@H]4CN(C(=O)[C@H](C)C#N)[C@@H]4C3)on2)cnn1C	ZINC001084236585	913798951	/nfs/dbraw/zinc/79/89/51/913798951.db2.gz	KFIFPQBMGVFNTE-RVZJWNSFSA-N	1	0	368.441	1.576	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)CC[N@@H+](C)CC)CC2	ZINC001061137465	893782554	/nfs/dbraw/zinc/78/25/54/893782554.db2.gz	AHPXZILQGNOQQT-SJORKVTESA-N	1	0	363.502	1.370	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c1	ZINC000941217739	894304128	/nfs/dbraw/zinc/30/41/28/894304128.db2.gz	NXNDDDYIAYAKOA-CRAIPNDOSA-N	1	0	354.454	1.078	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](C[C@@H]2CCc3ncnn32)CC1	ZINC001002846738	894583667	/nfs/dbraw/zinc/58/36/67/894583667.db2.gz	JZAMRXWGDAWZFQ-BBWFWOEESA-N	1	0	359.474	1.327	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3ccccc3[nH]2)C[C@H]1C	ZINC001106960694	895608717	/nfs/dbraw/zinc/60/87/17/895608717.db2.gz	ZGRMLBSIDJHBSR-GDBMZVCRSA-N	1	0	352.438	1.215	20	30		FDEDRO
COc1cccc([C@H](O)C[N@@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)c1	ZINC001084334659	914056359	/nfs/dbraw/zinc/05/63/59/914056359.db2.gz	DQICZXFMUUJIEQ-MISYRCLQSA-N	1	0	354.450	1.675	20	30		FDEDRO
CC1CC[NH+](CC(=O)N[C@@H]2CN(Cc3ccc(C#N)s3)C[C@H]2O)CC1	ZINC001077888588	896649677	/nfs/dbraw/zinc/64/96/77/896649677.db2.gz	LJWDMHQGZPIUKH-IAGOWNOFSA-N	1	0	362.499	1.013	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)CCC3)C[C@H]1C	ZINC001106967930	896799306	/nfs/dbraw/zinc/79/93/06/896799306.db2.gz	BBDZKOAXUUSIPJ-JXXFODFXSA-N	1	0	367.493	1.611	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@H]1C	ZINC001106969433	896913522	/nfs/dbraw/zinc/91/35/22/896913522.db2.gz	ZTWHOKGIFWJTDL-TZMCWYRMSA-N	1	0	368.275	1.441	20	30		FDEDRO
C=CCC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@]34C[C@H]3COC4)C2)n1	ZINC001128107377	896965492	/nfs/dbraw/zinc/96/54/92/896965492.db2.gz	RPNWSTTYVDXJKK-VPWXQRGCSA-N	1	0	356.470	1.479	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000942452395	897068948	/nfs/dbraw/zinc/06/89/48/897068948.db2.gz	JHAMQBAKFUTNHK-OIISXLGYSA-N	1	0	354.410	1.256	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1	ZINC000942452728	897071765	/nfs/dbraw/zinc/07/17/65/897071765.db2.gz	PWVRLPWDOUHIHH-QRVBRYPASA-N	1	0	371.481	1.670	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3csc(Cl)n3)C2)cc1	ZINC001077956542	897117718	/nfs/dbraw/zinc/11/77/18/897117718.db2.gz	MNTGXZUUXMULRC-TZMCWYRMSA-N	1	0	362.842	1.643	20	30		FDEDRO
C[N@@H+]1C[C@H](C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)[C@@H](c2ccccc2)C1	ZINC000942488920	897168510	/nfs/dbraw/zinc/16/85/10/897168510.db2.gz	DGPVTSOTBYVDKM-AQNXPRMDSA-N	1	0	365.477	1.462	20	30		FDEDRO
C[N@H+](C[C@H](O)c1ccc(C#N)cc1)C1CCN(CC(=O)N2CCCC2)CC1	ZINC000360039495	897359460	/nfs/dbraw/zinc/35/94/60/897359460.db2.gz	YTJNMUSIZHVYDK-FQEVSTJZSA-N	1	0	370.497	1.610	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1C[NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1	ZINC000921726585	897370042	/nfs/dbraw/zinc/37/00/42/897370042.db2.gz	UOJTXWNXXICTMI-KRWDZBQOSA-N	1	0	365.499	1.753	20	30		FDEDRO
C[N@@H+]1CC[C@H](C(=O)N2CC[C@@]3(CNC(=O)c4cc(C#N)c[nH]4)CCC[C@@H]23)C1	ZINC000995268969	897661637	/nfs/dbraw/zinc/66/16/37/897661637.db2.gz	DOZFCFSEXBBHEG-XAUMDUMWSA-N	1	0	369.469	1.339	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccn2C(C)C)C[C@H]1C	ZINC001106989322	897777438	/nfs/dbraw/zinc/77/74/38/897777438.db2.gz	ODUMSMQYURELRN-BRWVUGGUSA-N	1	0	358.486	1.505	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](N(CC)C(=O)[C@@H]3C[C@H]3CC)C2)CC1	ZINC000942984238	898240587	/nfs/dbraw/zinc/24/05/87/898240587.db2.gz	FXXREWXGBQJLTD-NZSAHSFTSA-N	1	0	359.514	1.827	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2N(C(=O)[C@H](C)C#N)CC3)CC1	ZINC000995322484	898394934	/nfs/dbraw/zinc/39/49/34/898394934.db2.gz	FVSQJTSXSJFVMY-HGHGUNKESA-N	1	0	370.497	1.379	20	30		FDEDRO
CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1	ZINC000943153879	898437722	/nfs/dbraw/zinc/43/77/22/898437722.db2.gz	LZATWWWBSQVDJL-RTBURBONSA-N	1	0	369.465	1.117	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(C(=O)CCC)C2)C1	ZINC001078222806	898475882	/nfs/dbraw/zinc/47/58/82/898475882.db2.gz	RACNPDDDCUZRAB-GVDBMIGSSA-N	1	0	351.491	1.153	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccn(C)n2)C1	ZINC001078402787	898737429	/nfs/dbraw/zinc/73/74/29/898737429.db2.gz	XXFGXUKQHQOLAP-KSZLIROESA-N	1	0	362.474	1.108	20	30		FDEDRO
C[C@@H]1CCO[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001078471671	898798548	/nfs/dbraw/zinc/79/85/48/898798548.db2.gz	AZJZCEQEDMKHQS-MNEFBYGVSA-N	1	0	357.454	1.690	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2ncccc2C)C1	ZINC001078472000	898800868	/nfs/dbraw/zinc/80/08/68/898800868.db2.gz	LIAADLIEKQIFPG-LMMKCTJWSA-N	1	0	359.470	1.688	20	30		FDEDRO
C[C@@H]1CCO[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1	ZINC001078472543	898804057	/nfs/dbraw/zinc/80/40/57/898804057.db2.gz	ZUSVYLMTUDXAHY-KEYYUXOJSA-N	1	0	363.483	1.752	20	30		FDEDRO
C[C@@H]1CC[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3ccc(C#N)cc3)C2)O1	ZINC001078475002	898810809	/nfs/dbraw/zinc/81/08/09/898810809.db2.gz	BBDFGCAHKOAZGG-ATZDWAIDSA-N	1	0	357.454	1.833	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC000943405120	898840493	/nfs/dbraw/zinc/84/04/93/898840493.db2.gz	UWXXDLYXLSRAQM-BPQIPLTHSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CNC(=O)c2ccsc2)C[C@H]1C	ZINC001107000379	898959819	/nfs/dbraw/zinc/95/98/19/898959819.db2.gz	SBESRCQXINPFAQ-GDBMZVCRSA-N	1	0	365.499	1.365	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC3(CN(C(=O)C#CC(C)C)C3)CC2)CC[N@@H+]1C	ZINC001061003710	898991366	/nfs/dbraw/zinc/99/13/66/898991366.db2.gz	QYZBSNSAZCHXLD-ZWKOTPCHSA-N	1	0	359.514	1.827	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1	ZINC000921836908	898993170	/nfs/dbraw/zinc/99/31/70/898993170.db2.gz	JEHBQTFAZMERTE-MNEFBYGVSA-N	1	0	357.454	1.656	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](OC)C1	ZINC000943659762	899139147	/nfs/dbraw/zinc/13/91/47/899139147.db2.gz	LJNRVGSKQBJHNJ-GDBMZVCRSA-N	1	0	360.458	1.315	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)CCOC)C[C@H]1C	ZINC001107004438	899170822	/nfs/dbraw/zinc/17/08/22/899170822.db2.gz	KFMYFZKKERSQKM-GVDBMIGSSA-N	1	0	366.506	1.105	20	30		FDEDRO
C=CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)c1ccccc1	ZINC001107012403	899537830	/nfs/dbraw/zinc/53/78/30/899537830.db2.gz	QYMHEVHJNXRZOA-BHIYHBOVSA-N	1	0	368.481	1.670	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C[NH2+]CCN1CCNC1=O	ZINC001107017415	899556381	/nfs/dbraw/zinc/55/63/81/899556381.db2.gz	VQFSPXHXNPBINS-IEBWSBKVSA-N	1	0	368.481	1.138	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)CCC)C[C@H]1C	ZINC001107022203	899605186	/nfs/dbraw/zinc/60/51/86/899605186.db2.gz	JPJQDKUOWJKDIZ-KZNAEPCWSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]1OC	ZINC001212349083	899691916	/nfs/dbraw/zinc/69/19/16/899691916.db2.gz	JRXYDRBJBHMRID-MGPQQGTHSA-N	1	0	368.396	1.098	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCN2C(=O)[C@H]2CC[C@@H](C)O2)CC1	ZINC000944320276	900085182	/nfs/dbraw/zinc/08/51/82/900085182.db2.gz	JVLCRFGLXYYMAN-KBAYOESNSA-N	1	0	361.486	1.006	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2cccc(OCC)c2)C[C@H]1C	ZINC001107044633	900089058	/nfs/dbraw/zinc/08/90/58/900089058.db2.gz	JLTSEMNEHDZZMO-SJLPKXTDSA-N	1	0	371.481	1.061	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC2CC2)[C@H](C)C1	ZINC001107059195	900312839	/nfs/dbraw/zinc/31/28/39/900312839.db2.gz	XHESDIJEYGSZGZ-NVXWUHKLSA-N	1	0	351.491	1.132	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)OCCC(C)C)C[C@H]1C	ZINC001107065455	900455057	/nfs/dbraw/zinc/45/50/57/900455057.db2.gz	OVOBYPUOQMMXCK-BRWVUGGUSA-N	1	0	353.507	1.424	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnc(COC)s2)C[C@H]1C	ZINC001107093154	900847182	/nfs/dbraw/zinc/84/71/82/900847182.db2.gz	QYESRIGQWWBRSW-ZIAGYGMSSA-N	1	0	351.472	1.237	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cnc(COC)s2)C[C@H]1C	ZINC001107092977	900847398	/nfs/dbraw/zinc/84/73/98/900847398.db2.gz	NYDHRVPADGWVQQ-ZIAGYGMSSA-N	1	0	353.488	1.790	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CCNc2ccnc(C#N)n2)CC[N@@H+]1C	ZINC001063852104	901165732	/nfs/dbraw/zinc/16/57/32/901165732.db2.gz	CCSKBRCAJAIQEN-BZUAXINKSA-N	1	0	356.474	1.293	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1	ZINC000945059805	901249655	/nfs/dbraw/zinc/24/96/55/901249655.db2.gz	LGEQXNSEBJQRJK-IKGGRYGDSA-N	1	0	361.486	1.123	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cn(CCC=C)nn2)[C@@H](n2ccnn2)C1	ZINC001129316063	901302569	/nfs/dbraw/zinc/30/25/69/901302569.db2.gz	JSZNVNUQDNVLTM-WBVHZDCISA-N	1	0	370.461	1.067	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)[C@@H](n2ccnn2)C1	ZINC001129316614	901309310	/nfs/dbraw/zinc/30/93/10/901309310.db2.gz	NYGBTPCECXVZGS-MLHJIOFPSA-N	1	0	359.474	1.258	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NC(=O)[C@H](F)C[NH+](CC)CC)CCC1	ZINC001064584690	901438251	/nfs/dbraw/zinc/43/82/51/901438251.db2.gz	XHGWGKQBVJGBFK-OAGGEKHMSA-N	1	0	369.481	1.413	20	30		FDEDRO
CC[N@@H+]1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000272884192	901629246	/nfs/dbraw/zinc/62/92/46/901629246.db2.gz	YIHRZWVFJPOXEN-SFHVURJKSA-N	1	0	369.469	1.791	20	30		FDEDRO
CCCCCC[N@H+](C)CC(=O)N1CC[C@H]2CN(c3ccnc(C#N)n3)C[C@H]21	ZINC001090328750	901713306	/nfs/dbraw/zinc/71/33/06/901713306.db2.gz	OABPWYBXQDLZHI-DLBZAZTESA-N	1	0	370.501	1.897	20	30		FDEDRO
CCCCCC[N@H+](C)CC(=O)N1CC[C@H]2CN(c3ccc(C#N)nn3)C[C@H]21	ZINC001090328500	901713786	/nfs/dbraw/zinc/71/37/86/901713786.db2.gz	JOANNIKUXLMVNI-FUHWJXTLSA-N	1	0	370.501	1.897	20	30		FDEDRO
Cn1cncc1[C@@H]1C[C@H]1C(=O)NC1(C)CCN(c2ccc(C#N)nc2)CC1	ZINC001065108303	901865567	/nfs/dbraw/zinc/86/55/67/901865567.db2.gz	FFCQMWNONHFRKX-IAGOWNOFSA-N	1	0	364.453	1.966	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001065160991	901889839	/nfs/dbraw/zinc/88/98/39/901889839.db2.gz	JWQHCYFQQBPTLS-OWCLPIDISA-N	1	0	351.491	1.273	20	30		FDEDRO
C=C(C)CN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[N@H+]2C)C1	ZINC001079129761	901936268	/nfs/dbraw/zinc/93/62/68/901936268.db2.gz	FPATVWGQEQKTIB-VAMGGRTRSA-N	1	0	357.498	1.731	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C2CC[NH+](C)CC2)C1	ZINC001079142731	901950871	/nfs/dbraw/zinc/95/08/71/901950871.db2.gz	QXMGBSVGGLPEDF-NHCUHLMSSA-N	1	0	369.509	1.425	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCCOCC2)C1	ZINC001079133366	901991121	/nfs/dbraw/zinc/99/11/21/901991121.db2.gz	CUBNWQLEOJWVGK-NJDAHSKKSA-N	1	0	370.493	1.900	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)CC[C@H]1c1ccc(F)cc1	ZINC001079154537	902068428	/nfs/dbraw/zinc/06/84/28/902068428.db2.gz	IKAGGDISLOESRQ-RBUKOAKNSA-N	1	0	367.424	1.746	20	30		FDEDRO
C=CCOCC(=O)NCCCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2CC)CC1	ZINC001079158323	902078804	/nfs/dbraw/zinc/07/88/04/902078804.db2.gz	CORQQAKEAJEYCX-QZTJIDSGSA-N	1	0	365.518	1.666	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cncc(OC)n2)CC[C@H]1c1ccc(F)cc1	ZINC001079159329	902081775	/nfs/dbraw/zinc/08/17/75/902081775.db2.gz	WMNQVDYEACJTTC-FUHWJXTLSA-N	1	0	368.412	1.845	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2cncn2)CC[C@H]1c1ccc(F)cc1	ZINC001079162745	902090066	/nfs/dbraw/zinc/09/00/66/902090066.db2.gz	YYRUEGOJYCXMBC-ZWKOTPCHSA-N	1	0	357.433	1.968	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]C[C@H](C)O)C2)cn1	ZINC001079207234	902114359	/nfs/dbraw/zinc/11/43/59/902114359.db2.gz	VIMGJWNNLYYHGC-PNHOKKKMSA-N	1	0	367.424	1.781	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC[N@@H+]1C	ZINC000946093752	902116633	/nfs/dbraw/zinc/11/66/33/902116633.db2.gz	VJXBQWDSAPOSLX-DOTOQJQBSA-N	1	0	357.458	1.337	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC(=O)N(C(C)C)C2)C[C@H]1c1cccc(F)c1	ZINC001079186175	902130643	/nfs/dbraw/zinc/13/06/43/902130643.db2.gz	DPXFMTUUMCKYPL-YTQUADARSA-N	1	0	371.456	1.600	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cncc3C2)C[C@H]1c1cccc(F)c1	ZINC001079188589	902136717	/nfs/dbraw/zinc/13/67/17/902136717.db2.gz	HGQJASASMWUXKF-LSTHTHJFSA-N	1	0	366.440	1.802	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(C)no2)C3)CC1	ZINC000995744028	902146247	/nfs/dbraw/zinc/14/62/47/902146247.db2.gz	ZSQUDGQXELJFDG-IKGGRYGDSA-N	1	0	370.453	1.190	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1cccc(F)c1	ZINC001079192571	902151155	/nfs/dbraw/zinc/15/11/55/902151155.db2.gz	OHSWPFIIVROIJG-PHUPPTAPSA-N	1	0	354.425	1.766	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cnnc(C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079239116	902183697	/nfs/dbraw/zinc/18/36/97/902183697.db2.gz	COPCLTYOEKETQK-ZWKOTPCHSA-N	1	0	354.454	1.361	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H](O)C(C)C)[C@@H]3COC[C@@H]32)CC1	ZINC001079240250	902186779	/nfs/dbraw/zinc/18/67/79/902186779.db2.gz	CNGQNCCITAJTCO-RCCFBDPRSA-N	1	0	350.503	1.909	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3cc(C)nn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079227139	902239333	/nfs/dbraw/zinc/23/93/33/902239333.db2.gz	DNYWVBZOXMIDLQ-FUHWJXTLSA-N	1	0	358.486	1.858	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3ccnc(F)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079228182	902241432	/nfs/dbraw/zinc/24/14/32/902241432.db2.gz	AHZAVAIEWUAVTR-DLBZAZTESA-N	1	0	357.429	1.797	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cnn4c3CCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079244810	902249970	/nfs/dbraw/zinc/24/99/70/902249970.db2.gz	HAKHKVSYAGFRHT-PKOBYXMFSA-N	1	0	368.481	1.406	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cc4n(n3)CCCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079247180	902260206	/nfs/dbraw/zinc/26/02/06/902260206.db2.gz	PJVJKFIABATBBL-PKOBYXMFSA-N	1	0	370.497	1.958	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCO[C@H]3C3CC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079252956	902275605	/nfs/dbraw/zinc/27/56/05/902275605.db2.gz	UUUPYCWNPOTNJO-HCXYKTFWSA-N	1	0	358.482	1.374	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)CCc3nccn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079253771	902277392	/nfs/dbraw/zinc/27/73/92/902277392.db2.gz	FKUAVUHBJDBOPE-ZWKOTPCHSA-N	1	0	370.497	1.315	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3ccnc(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079273704	902291798	/nfs/dbraw/zinc/29/17/98/902291798.db2.gz	MRMWOBUZZFEJLO-FUHWJXTLSA-N	1	0	354.454	1.361	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3ocnc3CC)[C@@H]3COC[C@@H]32)CC1	ZINC001079259593	902296385	/nfs/dbraw/zinc/29/63/85/902296385.db2.gz	IUCXOZAWXBIOTB-DOTOQJQBSA-N	1	0	357.454	1.813	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3cccc(=O)n3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079260048	902297640	/nfs/dbraw/zinc/29/76/40/902297640.db2.gz	YEWLUZZACCVAGA-FUHWJXTLSA-N	1	0	371.481	1.514	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cnoc3CC)[C@@H]3COC[C@@H]32)CC1	ZINC001079263829	902307287	/nfs/dbraw/zinc/30/72/87/902307287.db2.gz	NJHHLVXLCGMSDI-DLBZAZTESA-N	1	0	357.454	1.813	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ccc(C)[nH]c3=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079263836	902308021	/nfs/dbraw/zinc/30/80/21/902308021.db2.gz	NPNHJQJXYKJRLN-DLBZAZTESA-N	1	0	355.438	1.282	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)C[C@H]3CCC(=O)N3)[C@@H]3COC[C@@H]32)CC1	ZINC001079265554	902311887	/nfs/dbraw/zinc/31/18/87/902311887.db2.gz	OOGINVIJJRNZFS-IXDOHACOSA-N	1	0	361.486	1.171	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC3(CC[NH+](C(C)C)CC3)[C@H]3COC[C@H]32)nn1	ZINC001079265702	902314094	/nfs/dbraw/zinc/31/40/94/902314094.db2.gz	XDLBPTVMGINALK-DOTOQJQBSA-N	1	0	359.474	1.426	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3ccnc(C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079267108	902314834	/nfs/dbraw/zinc/31/48/34/902314834.db2.gz	OHKHQDAOKPNLNU-RBUKOAKNSA-N	1	0	353.466	1.966	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cnn4ccccc34)[C@@H]3COC[C@@H]32)CC1	ZINC001079267148	902315500	/nfs/dbraw/zinc/31/55/00/902315500.db2.gz	OWKOFHZCCCVRME-PKOBYXMFSA-N	1	0	364.449	1.521	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cn(CCC)nc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079267955	902318343	/nfs/dbraw/zinc/31/83/43/902318343.db2.gz	DLCNKQZJLQERQK-RBUKOAKNSA-N	1	0	370.497	1.788	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cn(C(C)C)nn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079268224	902321229	/nfs/dbraw/zinc/32/12/29/902321229.db2.gz	UNULYXMDBAOMSI-FUHWJXTLSA-N	1	0	371.485	1.435	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)CCc3cnccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269346	902325389	/nfs/dbraw/zinc/32/53/89/902325389.db2.gz	TWXTYMWTGJGQFD-RBUKOAKNSA-N	1	0	370.497	1.925	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3c[nH]c(C)cc3=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079269315	902326173	/nfs/dbraw/zinc/32/61/73/902326173.db2.gz	RTLCOFILRRDNQJ-ZWKOTPCHSA-N	1	0	371.481	1.812	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cn4c(n3)CCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079242973	902339154	/nfs/dbraw/zinc/33/91/54/902339154.db2.gz	CXMMNAJNCVRXMS-DOTOQJQBSA-N	1	0	354.454	1.016	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(=O)c(OC)co2)C[C@H]1c1ccccc1F	ZINC001079302684	902352035	/nfs/dbraw/zinc/35/20/35/902352035.db2.gz	DWZWHQOHGHGXRH-GOEBONIOSA-N	1	0	370.380	1.619	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)CCn3cc(C)cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079274076	902354902	/nfs/dbraw/zinc/35/49/02/902354902.db2.gz	FWKTXLMUMPCRKV-RBUKOAKNSA-N	1	0	370.497	1.544	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079274163	902355271	/nfs/dbraw/zinc/35/52/71/902355271.db2.gz	KFQZSUSPETZCPK-LBVZWDRHSA-N	1	0	354.494	1.851	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3nn(CC)nc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079275690	902358784	/nfs/dbraw/zinc/35/87/84/902358784.db2.gz	RSVAZWJLTLJDJM-DLBZAZTESA-N	1	0	371.485	1.183	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)[C@H](C)c3cnn(C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079276538	902362099	/nfs/dbraw/zinc/36/20/99/902362099.db2.gz	PBPLSFBXRFPVLR-NZSAHSFTSA-N	1	0	370.497	1.486	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(COC)on2)C[C@H]1c1ccccc1F	ZINC001079314690	902409104	/nfs/dbraw/zinc/40/91/04/902409104.db2.gz	GCIGKNHZNFGJAR-MAUKXSAKSA-N	1	0	357.385	1.791	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(CC)n2)C[C@H]1c1ccccc1F	ZINC001079316030	902411924	/nfs/dbraw/zinc/41/19/24/902411924.db2.gz	SMXYCGKRUMIXRJ-MAUKXSAKSA-N	1	0	370.428	1.786	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(C(C)C)nn2)C[C@H]1c1ccccc1F	ZINC001079317333	902414709	/nfs/dbraw/zinc/41/47/09/902414709.db2.gz	BKDKHZNPMSUEHY-DOTOQJQBSA-N	1	0	355.417	1.829	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC(=O)N2C)C[C@H]1c1ccccc1F	ZINC001079319902	902420275	/nfs/dbraw/zinc/42/02/75/902420275.db2.gz	VWMJOQAQOVEHKW-JQHSSLGASA-N	1	0	359.445	1.907	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CN(CC)CCO2)C[C@H]1c1ccccc1F	ZINC001079321995	902424367	/nfs/dbraw/zinc/42/43/67/902424367.db2.gz	IGNPQBORPGIHKF-QXAKKESOSA-N	1	0	361.461	1.616	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)cs2)C[C@H]1c1ccccc1F	ZINC001079322033	902424506	/nfs/dbraw/zinc/42/45/06/902424506.db2.gz	KCOJRVSCYLRQGK-GOEBONIOSA-N	1	0	371.437	1.817	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1c1ccccc1F	ZINC001079304239	902435141	/nfs/dbraw/zinc/43/51/41/902435141.db2.gz	ZWLJLMUOROXNBC-OUEOUJKYSA-N	1	0	374.456	1.947	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3nn[nH]c32)C[C@H]1c1ccccc1F	ZINC001079308504	902441918	/nfs/dbraw/zinc/44/19/18/902441918.db2.gz	JIYVYDHWJSSCBS-RLFYNMQTSA-N	1	0	367.428	1.581	20	30		FDEDRO
C[NH+](C)[C@H](C(=O)N1C[C@H]2CCN(Cc3ccccc3C#N)C[C@H]21)C1CC1	ZINC001084406770	914629194	/nfs/dbraw/zinc/62/91/94/914629194.db2.gz	YMTJBWBNRAZBMJ-AQNXPRMDSA-N	1	0	352.482	1.931	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001079447652	902623902	/nfs/dbraw/zinc/62/39/02/902623902.db2.gz	QDZPUKYBXJWCEY-RYQLBKOJSA-N	1	0	365.518	1.757	20	30		FDEDRO
C=CCn1cccc1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C2	ZINC000995928250	902649181	/nfs/dbraw/zinc/64/91/81/902649181.db2.gz	HOEXHEXLAHOBPA-QZWWFDLISA-N	1	0	356.470	1.630	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H]2COc3ccccc3O2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC001079537762	902734889	/nfs/dbraw/zinc/73/48/89/902734889.db2.gz	GTCDUSLRVNBIQI-UKPHBRMFSA-N	1	0	366.421	1.776	20	30		FDEDRO
CCOc1cccc(CN2C[C@@H](C)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1	ZINC001079541697	902775579	/nfs/dbraw/zinc/77/55/79/902775579.db2.gz	AXYQNBFSGSRKQU-CXAGYDPISA-N	1	0	353.426	1.930	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC001079543889	902778498	/nfs/dbraw/zinc/77/84/98/902778498.db2.gz	YCJOUXRZGPAFGZ-SJKOYZFVSA-N	1	0	351.410	1.236	20	30		FDEDRO
CNC(=O)c1cccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)c1	ZINC001079581592	902835642	/nfs/dbraw/zinc/83/56/42/902835642.db2.gz	VQPJKFBUWNXBEF-FZKQIMNGSA-N	1	0	365.437	1.496	20	30		FDEDRO
Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]2C)ncn1	ZINC001079584884	902839233	/nfs/dbraw/zinc/83/92/33/902839233.db2.gz	GSJBULNQVGOTGM-AUUYWEPGSA-N	1	0	365.437	1.938	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC001079589060	902844510	/nfs/dbraw/zinc/84/45/10/902844510.db2.gz	RXJWXLQWHXAFRR-SJKOYZFVSA-N	1	0	351.410	1.236	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H](O)Cc2ccc(F)cc2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC001079590069	902869313	/nfs/dbraw/zinc/86/93/13/902869313.db2.gz	VBSXJJFZJYTQIH-XVGQJIODSA-N	1	0	370.428	1.679	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1C	ZINC001079721086	903136041	/nfs/dbraw/zinc/13/60/41/903136041.db2.gz	KYDYEKIEPCMUBH-DZUCGIPZSA-N	1	0	366.893	1.954	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1	ZINC000764045624	903176845	/nfs/dbraw/zinc/17/68/45/903176845.db2.gz	VCWWBYPWULONEU-UHFFFAOYSA-N	1	0	369.469	1.807	20	30		FDEDRO
C=CCCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCO[C@H]3C3CC3)nn2)C1	ZINC001107185262	903689538	/nfs/dbraw/zinc/68/95/38/903689538.db2.gz	NCJCUTLWJNABLA-MSOLQXFVSA-N	1	0	359.474	1.532	20	30		FDEDRO
COc1ccc(CN2C[C@@H](C)[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)cc1C#N	ZINC001079967323	903742394	/nfs/dbraw/zinc/74/23/94/903742394.db2.gz	FEGKAFFGBSPHIB-ATZDWAIDSA-N	1	0	370.497	1.988	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@H](C(C)C)[NH+](C)C)C1	ZINC001079951943	903752630	/nfs/dbraw/zinc/75/26/30/903752630.db2.gz	MQEGKOJABMOSCP-SQNIBIBYSA-N	1	0	365.518	1.613	20	30		FDEDRO
C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1)[NH+]1CCCCCC1	ZINC000996371849	903797679	/nfs/dbraw/zinc/79/76/79/903797679.db2.gz	WLYZBXKLBYUKRK-NQYYFHDYSA-N	1	0	357.498	1.912	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1cc(CN(C)C)on1	ZINC001080011536	903894712	/nfs/dbraw/zinc/89/47/12/903894712.db2.gz	CMAYMLWSEHGKPZ-AUUYWEPGSA-N	1	0	367.453	1.858	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cn2cccnc2n1	ZINC001080037430	903961558	/nfs/dbraw/zinc/96/15/58/903961558.db2.gz	KSOJVZDNFTVMSL-RHSMWYFYSA-N	1	0	360.421	1.851	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccccc3F)CCC[C@@H]12	ZINC001107257156	904158431	/nfs/dbraw/zinc/15/84/31/904158431.db2.gz	YKVDIMOUGHRLGU-VQIMIIECSA-N	1	0	358.417	1.440	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)F)CCC[C@@H]12	ZINC001107258693	904182020	/nfs/dbraw/zinc/18/20/20/904182020.db2.gz	XYZBDIFAEVHPPW-DNVCBOLYSA-N	1	0	366.481	1.857	20	30		FDEDRO
CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cn1c(C)nnc1-c1cccc(C#N)c1	ZINC000749973367	904188522	/nfs/dbraw/zinc/18/85/22/904188522.db2.gz	ZNUMSOFWSBRZAX-INIZCTEOSA-N	1	0	374.470	1.096	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccnc3c(C(=O)OCC)cnn32)CC1	ZINC000764327139	904334189	/nfs/dbraw/zinc/33/41/89/904334189.db2.gz	QTVKZXSQONJGQH-UHFFFAOYSA-N	1	0	369.425	1.124	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@@]3(CNC(=O)CCOCC)CCC[C@@H]23)C1=O	ZINC001107328073	904489281	/nfs/dbraw/zinc/48/92/81/904489281.db2.gz	XNDMTZNJOUDHBW-MBOZVWFJSA-N	1	0	363.502	1.561	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCc1ccco1)CC2	ZINC001107336328	904505441	/nfs/dbraw/zinc/50/54/41/904505441.db2.gz	LIBVDHTVRCQFQY-IDHHARJASA-N	1	0	358.442	1.416	20	30		FDEDRO
N#CCOc1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)CC(N)=O)CCC[C@@H]23)cc1	ZINC001107344816	904540347	/nfs/dbraw/zinc/54/03/47/904540347.db2.gz	SXVYIKOTXFWMEY-YLJYHZDGSA-N	1	0	370.453	1.325	20	30		FDEDRO
Cc1cscc1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107349524	904551283	/nfs/dbraw/zinc/55/12/83/904551283.db2.gz	FHQGKQWLOWNSPO-CRAIPNDOSA-N	1	0	360.483	1.671	20	30		FDEDRO
CCCCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH]c(C#N)c3)CCC[C@@H]12	ZINC001107366652	904574413	/nfs/dbraw/zinc/57/44/13/904574413.db2.gz	NZIPATYCEXYRHK-YLJYHZDGSA-N	1	0	371.485	1.777	20	30		FDEDRO
C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccns1)CC2	ZINC001107373769	904602513	/nfs/dbraw/zinc/60/25/13/904602513.db2.gz	AYOPZLWVEOEIQR-CRAIPNDOSA-N	1	0	360.483	1.143	20	30		FDEDRO
C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCCC)CC2	ZINC001107374525	904606191	/nfs/dbraw/zinc/60/61/91/904606191.db2.gz	VLBDMYXFMXQMKS-YLJYHZDGSA-N	1	0	363.502	1.303	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)SC)CCC[C@@H]12	ZINC001107369896	904629379	/nfs/dbraw/zinc/62/93/79/904629379.db2.gz	DZCWFMPFJXBECA-IIDMSEBBSA-N	1	0	353.532	1.791	20	30		FDEDRO
C#CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCNC(C)=O)CC2	ZINC001107384088	904658459	/nfs/dbraw/zinc/65/84/59/904658459.db2.gz	OCXRAFJWAAKULK-UYAOXDASSA-N	1	0	363.502	1.303	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnc(C)nc1)CC2	ZINC001107402889	904741090	/nfs/dbraw/zinc/74/10/90/904741090.db2.gz	SSWKWNNCEAMATL-QKYXUNIQSA-N	1	0	356.470	1.684	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccnc1OC)CC2	ZINC001107401203	904774829	/nfs/dbraw/zinc/77/48/29/904774829.db2.gz	CBWHHCVPKLDLGB-YRISNDGFSA-N	1	0	371.481	1.989	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)c3ccoc3C)CCC[C@@H]12	ZINC001107416806	904785119	/nfs/dbraw/zinc/78/51/19/904785119.db2.gz	UAKXASKUWBCLIF-YLJYHZDGSA-N	1	0	357.454	1.702	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)NC(=O)c3ccoc3)CCC[C@@H]12	ZINC001107419277	904799732	/nfs/dbraw/zinc/79/97/32/904799732.db2.gz	OSBFRBAOTOWUST-WRWLIDTKSA-N	1	0	357.454	1.782	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)N3C(=O)CCC3=O)CCC[C@@H]12	ZINC001107429258	904866844	/nfs/dbraw/zinc/86/68/44/904866844.db2.gz	DRBCPAPULRVTFQ-RZQQEMMASA-N	1	0	361.486	1.851	20	30		FDEDRO
C#CCC1(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2cnnn2C)CC3)CCC1	ZINC001107433174	904887514	/nfs/dbraw/zinc/88/75/14/904887514.db2.gz	RSLKZHDJBMVJCY-YLJYHZDGSA-N	1	0	355.486	1.870	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)n3nnnc3C(C)(C)C)CCC[C@@H]12	ZINC001107434207	904891780	/nfs/dbraw/zinc/89/17/80/904891780.db2.gz	OKZPVHLIBWFMMD-SPYBWZPUSA-N	1	0	358.490	1.526	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](Cn3cccn3)N(C)C)CCC[C@@H]12	ZINC001107435941	904896466	/nfs/dbraw/zinc/89/64/66/904896466.db2.gz	GXTJAZCZUPLKBY-NLWGTHIKSA-N	1	0	359.518	1.750	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@]3(CC(C)C)CCNC3=O)CCC[C@@H]12	ZINC001107442897	904940124	/nfs/dbraw/zinc/94/01/24/904940124.db2.gz	QBLLEMZSMQQIGY-UIFIKXQLSA-N	1	0	359.514	1.923	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CCS(=O)(=O)C3)CCC[C@@H]12	ZINC001107464983	905030654	/nfs/dbraw/zinc/03/06/54/905030654.db2.gz	CEXXVSNLWTTYLZ-JFIYKMOQSA-N	1	0	352.500	1.195	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3c(C)cncc3C)CCC[C@@H]12	ZINC001107469759	905083764	/nfs/dbraw/zinc/08/37/64/905083764.db2.gz	KPZNPXCMGSZHQE-DYESRHJHSA-N	1	0	368.481	1.422	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3(CCF)CC3)CCC[C@@H]12	ZINC001107483097	905185419	/nfs/dbraw/zinc/18/54/19/905185419.db2.gz	QIDBZRUEOZKNHB-DNVCBOLYSA-N	1	0	351.466	1.789	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)NC(=O)c3cccs3)CCC[C@@H]12	ZINC001107491548	905224491	/nfs/dbraw/zinc/22/44/91/905224491.db2.gz	FFICIGGEAHQYFM-ZSZQSSIHSA-N	1	0	359.495	1.860	20	30		FDEDRO
CC1(C)CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107500901	905242927	/nfs/dbraw/zinc/24/29/27/905242927.db2.gz	YGWMESOMGKNREG-RZQQEMMASA-N	1	0	360.502	1.813	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCc4nc[nH]c43)CCC[C@@H]12	ZINC001107541546	905456713	/nfs/dbraw/zinc/45/67/13/905456713.db2.gz	CDFMDJMLZKBCGQ-YRISNDGFSA-N	1	0	370.497	1.840	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCC[C@@H]3CCOC3)C[C@H]2OC)cc1	ZINC001082012908	905555432	/nfs/dbraw/zinc/55/54/32/905555432.db2.gz	OWZPXMMXTOKJHT-MISYRCLQSA-N	1	0	356.466	1.914	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCCC)CC2	ZINC001107554036	905566683	/nfs/dbraw/zinc/56/66/83/905566683.db2.gz	VSNVTXJVBHOMGN-AXVVYFOYSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@H](CC)[NH+](CC)CC)C1	ZINC001080515183	905568863	/nfs/dbraw/zinc/56/88/63/905568863.db2.gz	GHCSRZLWRAEUBB-KURKYZTESA-N	1	0	365.518	1.757	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)NS(C)(=O)=O)CCC[C@@H]12	ZINC001107570968	905650104	/nfs/dbraw/zinc/65/01/04/905650104.db2.gz	KKWKZVLUGCNWJC-RHSMWYFYSA-N	1	0	357.520	1.251	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCCOCC)CC3)nn1	ZINC001107571105	905650184	/nfs/dbraw/zinc/65/01/84/905650184.db2.gz	RMUGWXQBSVVPKA-IEBWSBKVSA-N	1	0	361.490	1.865	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)NS(C)(=O)=O)CCC[C@@H]12	ZINC001107571114	905650292	/nfs/dbraw/zinc/65/02/92/905650292.db2.gz	RSZMRNJZGVJMPI-CRAIPNDOSA-N	1	0	371.547	1.641	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](NS(C)(=O)=O)C(C)C)CCC[C@@H]12	ZINC001107570974	905650304	/nfs/dbraw/zinc/65/03/04/905650304.db2.gz	KMCYZQTWKYIQRN-SOLBZPMBSA-N	1	0	371.547	1.497	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCO)CC2	ZINC001107569620	905690369	/nfs/dbraw/zinc/69/03/69/905690369.db2.gz	GZPGYPUCDWHWCS-YQVWRLOYSA-N	1	0	351.491	1.201	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)Cc3ccsc3C)C2)C1=O	ZINC001080564654	905700831	/nfs/dbraw/zinc/70/08/31/905700831.db2.gz	XVHJDNCYYQFMPZ-KBRIMQKVSA-N	1	0	361.511	1.822	20	30		FDEDRO
CO[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1NC(=O)C1CC[NH+](C)CC1	ZINC001082092521	905744741	/nfs/dbraw/zinc/74/47/41/905744741.db2.gz	COQXETMEAJCDIP-RTBURBONSA-N	1	0	356.470	1.215	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)CCC[C@@H]12	ZINC001107586266	905832563	/nfs/dbraw/zinc/83/25/63/905832563.db2.gz	MUJTVCZKCNUTQY-DNVCBOLYSA-N	1	0	360.458	1.676	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCC(F)(F)C3)C[C@H]2OC)c1	ZINC001082118356	905834909	/nfs/dbraw/zinc/83/49/09/905834909.db2.gz	UKTIWLFRDQUFOP-USXIJHARSA-N	1	0	363.408	1.927	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc(OC)nc3)CCC[C@@H]12	ZINC001107596749	905856095	/nfs/dbraw/zinc/85/60/95/905856095.db2.gz	MVYBTXAUXZSMQG-VQIMIIECSA-N	1	0	360.458	1.662	20	30		FDEDRO
CO[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1	ZINC001082134972	905940121	/nfs/dbraw/zinc/94/01/21/905940121.db2.gz	KBCZUJOEBCWZAX-KFKAGJAMSA-N	1	0	356.470	1.215	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)C(=O)N3CC[C@H](C)C3)CCC[C@@H]12	ZINC001107604249	905945181	/nfs/dbraw/zinc/94/51/81/905945181.db2.gz	NGMUVBCRCCBOKW-SQGPQFPESA-N	1	0	363.502	1.418	20	30		FDEDRO
CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]2C)nn1	ZINC001080683944	905955308	/nfs/dbraw/zinc/95/53/08/905955308.db2.gz	IBLXEJYFSKQEQP-RHSMWYFYSA-N	1	0	368.441	1.451	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC)CC3)nc1	ZINC001107609711	905965499	/nfs/dbraw/zinc/96/54/99/905965499.db2.gz	BAKJKPUTPGSZIN-YLJYHZDGSA-N	1	0	354.454	1.173	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCc3cncn3C)CCC[C@@H]12	ZINC001107622822	906023882	/nfs/dbraw/zinc/02/38/82/906023882.db2.gz	AOXPSSGTKIRQLZ-UYAOXDASSA-N	1	0	358.486	1.363	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)c3ccccc3F)CCC[C@@H]12	ZINC001107632086	906082050	/nfs/dbraw/zinc/08/20/50/906082050.db2.gz	PWMFRANPGJKVBQ-WIYYLYMNSA-N	1	0	371.456	1.940	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)[C@H](C)CC)CCC[C@@H]12	ZINC001107636580	906136393	/nfs/dbraw/zinc/13/63/93/906136393.db2.gz	GHUHAHVDCMWQJZ-MBOZVWFJSA-N	1	0	365.518	1.712	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)NC(=O)c3ccco3)CCC[C@@H]12	ZINC001107638922	906187607	/nfs/dbraw/zinc/18/76/07/906187607.db2.gz	RHPUTPQODKDVJG-XAUMDUMWSA-N	1	0	357.454	1.782	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N3CCOCC3)CCC[C@@H]12	ZINC001107640131	906194481	/nfs/dbraw/zinc/19/44/81/906194481.db2.gz	MFUQPPLCVQWILU-SVFBPWRDSA-N	1	0	359.514	1.481	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)COc3cccc(C(N)=O)c3)CCC[C@@H]12	ZINC001107643207	906216254	/nfs/dbraw/zinc/21/62/54/906216254.db2.gz	ABGLGCIKWAQNJW-WIYYLYMNSA-N	1	0	369.465	1.548	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2scc3c2OCCO3)[C@H](OC)C1	ZINC001082295337	906559495	/nfs/dbraw/zinc/55/94/95/906559495.db2.gz	NZHKJCFTNMDAHR-CHWSQXEVSA-N	1	0	352.456	1.915	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001080877997	906569490	/nfs/dbraw/zinc/56/94/90/906569490.db2.gz	VYHOOVMGAVPLNE-IXDOHACOSA-N	1	0	365.518	1.399	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)C3CCCCC3)C[C@H]2OC)cn1	ZINC001082333740	906828723	/nfs/dbraw/zinc/82/87/23/906828723.db2.gz	XGPWHIBRQNOAHO-HSALFYBXSA-N	1	0	371.481	1.433	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCC[C@H]3CCOC3)C[C@H]2OC)cn1	ZINC001082333874	906831091	/nfs/dbraw/zinc/83/10/91/906831091.db2.gz	FSDNYFOOBHBHKN-KFKAGJAMSA-N	1	0	357.454	1.309	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)C[C@H]1O	ZINC001077694551	906898161	/nfs/dbraw/zinc/89/81/61/906898161.db2.gz	VNBGKOGICLWUNM-AFYVEPGGSA-N	1	0	367.449	1.487	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1CCc2nncn2C1	ZINC001080990166	906959002	/nfs/dbraw/zinc/95/90/02/906959002.db2.gz	COXDGIUDYYLXGA-ZTFGCOKTSA-N	1	0	364.453	1.349	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3nccc(C)n3)C[C@H]2C)CC1	ZINC001080998148	906975635	/nfs/dbraw/zinc/97/56/35/906975635.db2.gz	VAFKLGFFALSELG-CRAIPNDOSA-N	1	0	355.486	1.067	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CCS(=O)(=O)CC1)C2	ZINC001112539355	906995290	/nfs/dbraw/zinc/99/52/90/906995290.db2.gz	WCTBDVVGGWAERE-HKUYNNGSSA-N	1	0	368.543	1.996	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)COC)C[C@H]2c2ccccc2)C1=O	ZINC001081071057	907165721	/nfs/dbraw/zinc/16/57/21/907165721.db2.gz	MBYHKPFLYGHGKC-RCCFBDPRSA-N	1	0	357.454	1.004	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3ncncc3C2)C[C@H]1c1ccccc1	ZINC001081124729	907184418	/nfs/dbraw/zinc/18/44/18/907184418.db2.gz	TYZMKAMDOKZHOA-HFSMHLIXSA-N	1	0	360.461	1.799	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccnn2CC(F)F)C[C@H]1c1ccccc1	ZINC001081117071	907222117	/nfs/dbraw/zinc/22/21/17/907222117.db2.gz	OTNHHGSYQHQFKC-JKSUJKDBSA-N	1	0	358.392	1.979	20	30		FDEDRO
N#CCN[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1c1ccccc1	ZINC001081132260	907232741	/nfs/dbraw/zinc/23/27/41/907232741.db2.gz	QJYPMWYXEKLOEI-RBUKOAKNSA-N	1	0	352.482	1.970	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C(C)C)CCO2)C[C@H]1c1ccccc1	ZINC001081167992	907287877	/nfs/dbraw/zinc/28/78/77/907287877.db2.gz	BQXCRQMZCCMKOJ-XUVXKRRUSA-N	1	0	357.498	1.866	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C(=O)C(C)C)[C@H](OC)C1	ZINC001082376444	907306744	/nfs/dbraw/zinc/30/67/44/907306744.db2.gz	UPKPSAYZLCFDQG-IXDOHACOSA-N	1	0	351.491	1.415	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CC)C[C@H]1c1ccccc1	ZINC001081208834	907314912	/nfs/dbraw/zinc/31/49/12/907314912.db2.gz	NKFAYEVNOXULLP-GBESFXJTSA-N	1	0	353.466	1.605	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccn3c(=O)[nH]nc23)C[C@H]1c1ccccc1	ZINC001081213556	907320339	/nfs/dbraw/zinc/32/03/39/907320339.db2.gz	DHEYKHBJMXLVAV-DLBZAZTESA-N	1	0	361.405	1.266	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+][C@@H](C)C(N)=O)C2)cn1	ZINC001081215350	907324076	/nfs/dbraw/zinc/32/40/76/907324076.db2.gz	IXDGIHFTBBSBJF-ZOCIIQOWSA-N	1	0	362.433	1.135	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCOCC2)C[C@H]1c1ccccc1	ZINC001081198569	907382150	/nfs/dbraw/zinc/38/21/50/907382150.db2.gz	LTKIWJACRXRUTH-RBUKOAKNSA-N	1	0	355.482	1.315	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1OC	ZINC001082384567	907390683	/nfs/dbraw/zinc/39/06/83/907390683.db2.gz	CJBBGAHGHWQEJP-HSALFYBXSA-N	1	0	370.497	1.748	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@H](Oc3cnccc3CNCC#N)C2)CC[N@@H+]1C	ZINC001127888618	907495476	/nfs/dbraw/zinc/49/54/76/907495476.db2.gz	TUAOAMKJQXACDP-HYVNUMGLSA-N	1	0	357.458	1.015	20	30		FDEDRO
Cc1nn(C)cc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1	ZINC001082451456	907732004	/nfs/dbraw/zinc/73/20/04/907732004.db2.gz	ATKWSMJSIOVJRA-KZULUSFZSA-N	1	0	355.417	1.990	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2cc(C)n(C)n2)C[C@H]1C	ZINC001082438626	907766889	/nfs/dbraw/zinc/76/68/89/907766889.db2.gz	SIILWFWSRATTLZ-FZKQIMNGSA-N	1	0	367.453	1.859	20	30		FDEDRO
C[C@H](C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O)[NH+]1CCCCCC1	ZINC001077774318	907808466	/nfs/dbraw/zinc/80/84/66/907808466.db2.gz	UXCOSGMTNIVOQX-HMXCVIKNSA-N	1	0	369.509	1.464	20	30		FDEDRO
Cc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)nnn1C	ZINC001082456989	907860184	/nfs/dbraw/zinc/86/01/84/907860184.db2.gz	XYSCDNAGAZRUIX-BDJLRTHQSA-N	1	0	356.405	1.385	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[C@@H]3COC(=O)C3)C[C@H]2C)cc1C#N	ZINC001082474277	907928206	/nfs/dbraw/zinc/92/82/06/907928206.db2.gz	FWDZQUPCLTVUCD-UKPHBRMFSA-N	1	0	371.437	1.457	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2COC(=O)C2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082474331	907928984	/nfs/dbraw/zinc/92/89/84/907928984.db2.gz	IIMPHHCYLKBJIL-HACGYAERSA-N	1	0	359.401	1.587	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2COC(=O)C2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082475078	907932863	/nfs/dbraw/zinc/93/28/63/907932863.db2.gz	GVHYXGKGCLPYIY-HACGYAERSA-N	1	0	359.401	1.587	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]CC(=O)N1CCC(C)CC1	ZINC001082480052	907947911	/nfs/dbraw/zinc/94/79/11/907947911.db2.gz	BSUAEFKMBQMLGJ-RHSMWYFYSA-N	1	0	357.458	1.195	20	30		FDEDRO
CCOc1cccc(C[NH2+][C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)n1	ZINC001082480309	907948846	/nfs/dbraw/zinc/94/88/46/907948846.db2.gz	XRBOGFMDMIGURU-CXAGYDPISA-N	1	0	353.426	1.930	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC2OCCCO2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082487031	907981884	/nfs/dbraw/zinc/98/18/84/907981884.db2.gz	JPSAKVSBGREBGJ-CXAGYDPISA-N	1	0	361.417	1.787	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082490863	907999501	/nfs/dbraw/zinc/99/95/01/907999501.db2.gz	KRVKSCGFKFBMFQ-FZKQIMNGSA-N	1	0	355.417	1.610	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+][C@H]1CCc2ccccc2NC1=O	ZINC001082504749	908115681	/nfs/dbraw/zinc/11/56/81/908115681.db2.gz	DRZNGDBYJCPLAS-MDASCCDHSA-N	1	0	351.450	1.790	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(=O)[nH]n1	ZINC001085126487	921382019	/nfs/dbraw/zinc/38/20/19/921382019.db2.gz	IDWUEXLDNZFZIC-HZPDHXFCSA-N	1	0	351.410	1.885	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2[nH]ccc2C)CC1	ZINC000997357862	908326025	/nfs/dbraw/zinc/32/60/25/908326025.db2.gz	RHDZBSOJEOMMMJ-SQNIBIBYSA-N	1	0	368.481	1.530	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3c(F)cncc3F)C[C@H]2C)C1=O	ZINC001082536687	908329746	/nfs/dbraw/zinc/32/97/46/908329746.db2.gz	FNBTVXKBWFWTJH-BYCMXARLSA-N	1	0	364.396	1.197	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CC3CCC(C)(C)CC3)C[C@H]2O)nn1	ZINC001077802425	908345600	/nfs/dbraw/zinc/34/56/00/908345600.db2.gz	IBANZFLHUABXNS-NVXWUHKLSA-N	1	0	361.490	1.455	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2ccnn2C)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082539414	908359946	/nfs/dbraw/zinc/35/99/46/908359946.db2.gz	NLBHHEUKBAGPHI-DNVCBOLYSA-N	1	0	351.454	1.861	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082542125	908412185	/nfs/dbraw/zinc/41/21/85/908412185.db2.gz	XPZPAEGPEIJKCJ-QGPMSJSTSA-N	1	0	370.453	1.004	20	30		FDEDRO
COc1nc(C)ncc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)s2)C1	ZINC001082546237	908456940	/nfs/dbraw/zinc/45/69/40/908456940.db2.gz	IPWYTCCPNVYCHD-BDJLRTHQSA-N	1	0	371.466	1.977	20	30		FDEDRO
COc1nc(C)ncc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001082548436	908476638	/nfs/dbraw/zinc/47/66/38/908476638.db2.gz	KQPJRQFCQDNMNC-FZKQIMNGSA-N	1	0	365.437	1.916	20	30		FDEDRO
Cc1c(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)cnn1C	ZINC001082551945	908513540	/nfs/dbraw/zinc/51/35/40/908513540.db2.gz	PGTQCARSWQZYJH-AUUYWEPGSA-N	1	0	351.454	1.779	20	30		FDEDRO
CC[C@@]1(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)CCNC1=O	ZINC001082571873	908569220	/nfs/dbraw/zinc/56/92/20/908569220.db2.gz	DNQRCGLFXYIAJF-WIBUTAKZSA-N	1	0	354.454	1.411	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082556683	908581532	/nfs/dbraw/zinc/58/15/32/908581532.db2.gz	YRDCXAQUDONHCT-IIYDPXPESA-N	1	0	358.417	1.160	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2c(F)cccc2F)C1	ZINC001082568072	908706811	/nfs/dbraw/zinc/70/68/11/908706811.db2.gz	VZPTYLLDKLCMBV-ZMYBRWDISA-N	1	0	361.436	1.999	20	30		FDEDRO
CCOc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)s3)C2)[nH]n1	ZINC001082585573	908900983	/nfs/dbraw/zinc/90/09/83/908900983.db2.gz	RNENBXVJUTZDSK-IAQYHMDHSA-N	1	0	359.455	1.992	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCn3ccnc3C2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082603972	908921766	/nfs/dbraw/zinc/92/17/66/908921766.db2.gz	XELGEPPNZZLEFD-AYOQOUSVSA-N	1	0	363.465	1.954	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1C	ZINC001082599781	908959052	/nfs/dbraw/zinc/95/90/52/908959052.db2.gz	KANHDVZDIPBXQK-ZWNOBZJWSA-N	1	0	354.248	1.344	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082599745	908959306	/nfs/dbraw/zinc/95/93/06/908959306.db2.gz	ICTHFTLGLGEYKT-ZTFGCOKTSA-N	1	0	354.454	1.363	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2cc(C#N)ccc2F)CC1	ZINC000888356213	909017583	/nfs/dbraw/zinc/01/75/83/909017583.db2.gz	JXGOZAIRQJVMBR-UHFFFAOYSA-N	1	0	361.421	1.715	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3c[nH]nc3C(C)C)C[C@H]2C)C1=O	ZINC001082613157	909035644	/nfs/dbraw/zinc/03/56/44/909035644.db2.gz	LHDMSSNUUSPRFZ-FVQBIDKESA-N	1	0	359.474	1.370	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn3cccnc3n2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082617020	909073573	/nfs/dbraw/zinc/07/35/73/909073573.db2.gz	NXUCBPJEPZMBBT-RHSMWYFYSA-N	1	0	360.421	1.851	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(CC)C2)[C@H](OC)C1	ZINC001212355279	909080841	/nfs/dbraw/zinc/08/08/41/909080841.db2.gz	ZYEBIJMQBZPIIM-GVDBMIGSSA-N	1	0	353.507	1.641	20	30		FDEDRO
COc1cnc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3F)C2)nc1	ZINC001082633843	909200842	/nfs/dbraw/zinc/20/08/42/909200842.db2.gz	PMRSEUIJKPJPHZ-SJKOYZFVSA-N	1	0	369.400	1.746	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccnc3n[nH]nc32)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082634979	909222348	/nfs/dbraw/zinc/22/23/48/909222348.db2.gz	SNDWUGIMHAXUIQ-MLGOLLRUSA-N	1	0	361.409	1.475	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc3nnnn3c2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082640691	909264366	/nfs/dbraw/zinc/26/43/66/909264366.db2.gz	PUFLPGCUUGGSQZ-CXAGYDPISA-N	1	0	361.409	1.246	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)Cc2c(C)nn(C)c2C)C[C@H]1C	ZINC001082671960	909432455	/nfs/dbraw/zinc/43/24/55/909432455.db2.gz	KHEFCHAFMXFFBB-MEBBXXQBSA-N	1	0	369.307	1.925	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2[C@@H]2CCOC2)C[C@H]1C	ZINC001082667443	909469898	/nfs/dbraw/zinc/46/98/98/909469898.db2.gz	ACHQYUHBQAWTQS-UXIGCNINSA-N	1	0	352.866	1.727	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC(=O)N2CCCC2)CC1	ZINC000997754734	909618134	/nfs/dbraw/zinc/61/81/34/909618134.db2.gz	QTZQNCBFMBKRAK-JQHSSLGASA-N	1	0	363.502	1.417	20	30		FDEDRO
CC(C)N1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1	ZINC001082702800	909626224	/nfs/dbraw/zinc/62/62/24/909626224.db2.gz	IVYQZCKVPOPVRC-NSISKUIASA-N	1	0	370.497	1.604	20	30		FDEDRO
Cc1cnn(C)c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1	ZINC001082693381	909635539	/nfs/dbraw/zinc/63/55/39/909635539.db2.gz	RVLYWRQPOQRGPZ-CRAIPNDOSA-N	1	0	367.453	1.881	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082746431	909684753	/nfs/dbraw/zinc/68/47/53/909684753.db2.gz	GYGNUMZSBBPWMZ-LJGDNWOOSA-N	1	0	372.444	1.535	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[NH2+][C@H](C)c2nnc(C)[nH]2)CC1	ZINC000997782834	909691514	/nfs/dbraw/zinc/69/15/14/909691514.db2.gz	YWIPOTQKROGSET-XYPHTWIQSA-N	1	0	361.490	1.984	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C(N)=O)c3)C2)c1	ZINC001082730375	909866628	/nfs/dbraw/zinc/86/66/28/909866628.db2.gz	QUAIDGQPGSPDRR-AUUYWEPGSA-N	1	0	362.433	1.412	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1C	ZINC001082750375	909989033	/nfs/dbraw/zinc/98/90/33/909989033.db2.gz	KWNPXRUKCCBGJP-CXAGYDPISA-N	1	0	368.441	1.254	20	30		FDEDRO
C[NH+]=C(NCC(=O)Nc1cccc(F)c1)N1CCN(c2ccccn2)CC1	ZINC000073479223	910000864	/nfs/dbraw/zinc/00/08/64/910000864.db2.gz	FJJSAQBQUAZSSO-UHFFFAOYSA-N	1	0	370.432	1.557	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]1C	ZINC001082779583	910130544	/nfs/dbraw/zinc/13/05/44/910130544.db2.gz	JDYGCBJXIGHSHS-MWLCHTKSSA-N	1	0	367.309	1.155	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C)C2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082788242	910170073	/nfs/dbraw/zinc/17/00/73/910170073.db2.gz	DDDLVLFSOJFRFM-GPMSIDNRSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2ccc3nncn3c2)C[C@H]1C	ZINC001082804408	910233071	/nfs/dbraw/zinc/23/30/71/910233071.db2.gz	HCDQOFRPLVWTGZ-ZWNOBZJWSA-N	1	0	364.247	1.688	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cccc4nc[nH]c43)C[C@H]2C)C1=O	ZINC001082819318	910305584	/nfs/dbraw/zinc/30/55/84/910305584.db2.gz	MWBQWPUXHLJJDN-XOKHGSTOSA-N	1	0	367.453	1.400	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ncnn2CCF)CC1	ZINC000998095233	910324989	/nfs/dbraw/zinc/32/49/89/910324989.db2.gz	TUDVTQZFERJAMU-CVEARBPZSA-N	1	0	365.453	1.167	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cnn(C(F)F)c3)C[C@H]2C)C1=O	ZINC001082825527	910334003	/nfs/dbraw/zinc/33/40/03/910334003.db2.gz	MHWDTEQAMMXJBB-KWCYVHTRSA-N	1	0	367.400	1.115	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CCC[N@H+](CCn2cncn2)CC1	ZINC000998132189	910430946	/nfs/dbraw/zinc/43/09/46/910430946.db2.gz	ZJPQFXVZKDHMQC-KSZLIROESA-N	1	0	361.490	1.572	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[NH2+][C@@H](C)c2nnc(C)[nH]2)CC1	ZINC000998147806	910467088	/nfs/dbraw/zinc/46/70/88/910467088.db2.gz	GZJROORQUPBLIG-JQFCIGGWSA-N	1	0	361.490	1.984	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nccn2CC)C1	ZINC001082868743	910508355	/nfs/dbraw/zinc/50/83/55/910508355.db2.gz	QSGDTWMKAAJNMF-NVXWUHKLSA-N	1	0	367.453	1.560	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnoc2C)C1	ZINC001082868983	910509699	/nfs/dbraw/zinc/50/96/99/910509699.db2.gz	HXPDDBNTAQRCQM-CXAGYDPISA-N	1	0	354.410	1.640	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccnc(OC)n3)C2)nc1	ZINC001082869072	910511561	/nfs/dbraw/zinc/51/15/61/910511561.db2.gz	NTDCZSRGXUTWKF-CXAGYDPISA-N	1	0	351.410	1.112	20	30		FDEDRO
C=CCC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CC2	ZINC001128021279	910569061	/nfs/dbraw/zinc/56/90/61/910569061.db2.gz	XQDQVNSUWCUHSB-TVRAHDOYSA-N	1	0	371.485	1.188	20	30		FDEDRO
N#C[C@@H](C(=O)CN1CC[C@H]([NH+]2CCCC2)C1)c1nc2ccccc2c(=O)[nH]1	ZINC000727158980	910580808	/nfs/dbraw/zinc/58/08/08/910580808.db2.gz	CQHMNGWTLJSGHU-HOCLYGCPSA-N	1	0	365.437	1.682	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCOCC(C)C)C[C@H]2OC)CCOCC1	ZINC001212395805	910750755	/nfs/dbraw/zinc/75/07/55/910750755.db2.gz	OKQZLXRJWDWDGL-QZTJIDSGSA-N	1	0	366.502	1.295	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)c2)C[C@H]1C	ZINC001082940226	911007076	/nfs/dbraw/zinc/00/70/76/911007076.db2.gz	KWWJXKWJWPWLOG-BXUZGUMPSA-N	1	0	355.280	1.698	20	30		FDEDRO
C[C@@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)C1=CC[N@H+](C)CC1	ZINC000273058791	911009743	/nfs/dbraw/zinc/00/97/43/911009743.db2.gz	YEHCHEYEBYKTQD-HUUCEWRRSA-N	1	0	369.473	1.219	20	30		FDEDRO
C=CCCOCCNC(=O)N[C@@H]1C[C@@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O	ZINC000921659868	911030498	/nfs/dbraw/zinc/03/04/98/911030498.db2.gz	KASPGRNJDYTTRA-MTNOOBJLSA-N	1	0	353.507	1.748	20	30		FDEDRO
C=CCCOCCNC(=O)N[C@@H]1C[C@@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O	ZINC000921659871	911030525	/nfs/dbraw/zinc/03/05/25/911030525.db2.gz	KASPGRNJDYTTRA-VXNCWWDNSA-N	1	0	353.507	1.748	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(C#N)c2)C1	ZINC000998623034	911323347	/nfs/dbraw/zinc/32/33/47/911323347.db2.gz	BSVQTTNICJLDCT-IEAZIUSSSA-N	1	0	355.442	1.090	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)/C=C(/C)C4CC4)[C@H]3C2)C1=O	ZINC001083014522	911523430	/nfs/dbraw/zinc/52/34/30/911523430.db2.gz	IXQYXAIKLOPDMQ-MNLOBUSASA-N	1	0	359.470	1.041	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC2(CCOCC2)C1	ZINC001089938774	911667659	/nfs/dbraw/zinc/66/76/59/911667659.db2.gz	IBTAVAGQCMIYDD-BRWVUGGUSA-N	1	0	363.502	1.465	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C)c(NC(C)=O)c3)[C@H]2C1	ZINC001083091797	911974433	/nfs/dbraw/zinc/97/44/33/911974433.db2.gz	DFYLOVROVFSXEW-RBUKOAKNSA-N	1	0	355.438	1.502	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)n3nnnc3C(C)(C)C)[C@H]2C1	ZINC001083102096	912025460	/nfs/dbraw/zinc/02/54/60/912025460.db2.gz	LXEIOURONBUTQF-SOUVJXGZSA-N	1	0	362.478	1.019	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CCO[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@@H]21	ZINC001083106085	912046286	/nfs/dbraw/zinc/04/62/86/912046286.db2.gz	JBHRHSOKYUROBF-NZSAHSFTSA-N	1	0	359.470	1.626	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnc4nccnc4c3)[C@H]2C1	ZINC001083108123	912061743	/nfs/dbraw/zinc/06/17/43/912061743.db2.gz	ZHSIUIJUJWNEOD-DLBZAZTESA-N	1	0	353.426	1.516	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(N4CCCC4)ccn3)[C@H]2C1	ZINC001083133905	912081172	/nfs/dbraw/zinc/08/11/72/912081172.db2.gz	WUHODFWRUJMYKP-RBUKOAKNSA-N	1	0	356.470	1.783	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3ncc4cc(C)cnc43)[C@H]2C1	ZINC001083144950	912204238	/nfs/dbraw/zinc/20/42/38/912204238.db2.gz	IEICECZOXQASCH-ZWKOTPCHSA-N	1	0	369.469	1.618	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C)nn2C)C1=O	ZINC001085144762	921754673	/nfs/dbraw/zinc/75/46/73/921754673.db2.gz	MXRDTLSZCNTULH-BZUAXINKSA-N	1	0	359.474	1.146	20	30		FDEDRO
Cn1c(C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)c[nH]c1=O	ZINC001084577106	915478594	/nfs/dbraw/zinc/47/85/94/915478594.db2.gz	ZXLBBHBKXCPMOK-NVXWUHKLSA-N	1	0	351.410	1.344	20	30		FDEDRO
CN1C(=O)CC[C@@H]1C(=O)N1C[C@H]2CCN(CC#Cc3ccc(F)cc3)C[C@H]21	ZINC001084601488	915534933	/nfs/dbraw/zinc/53/49/33/915534933.db2.gz	DMWCURZRPPPBLT-BHIYHBOVSA-N	1	0	369.440	1.331	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(Cc4ccccc4C#N)C[C@H]32)C1	ZINC001084662453	915921379	/nfs/dbraw/zinc/92/13/79/915921379.db2.gz	KODHKBNJTQKIOS-NSISKUIASA-N	1	0	352.482	1.933	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCC(=O)N2)cc1F	ZINC001085150553	921809827	/nfs/dbraw/zinc/80/98/27/921809827.db2.gz	MTEIXBAWHUABGH-BRWVUGGUSA-N	1	0	358.417	1.493	20	30		FDEDRO
CC[C@@H](C(=O)N1C[C@H]2CCN(Cc3ccc(OC)c(C#N)c3)C[C@H]21)[NH+](C)C	ZINC001084667756	915959117	/nfs/dbraw/zinc/95/91/17/915959117.db2.gz	WNVJXACDVBBUEZ-NZSAHSFTSA-N	1	0	370.497	1.940	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CCc2c(C)[nH]c3nn(C)c(=O)c-3c2C)CC1	ZINC000730035506	915972475	/nfs/dbraw/zinc/97/24/75/915972475.db2.gz	OUZVSWHFORXTFS-UHFFFAOYSA-N	1	0	371.485	1.578	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cccc(OC)c2)CC1	ZINC000730097667	916118018	/nfs/dbraw/zinc/11/80/18/916118018.db2.gz	GDZANDFMVUFJMI-FQEVSTJZSA-N	1	0	355.482	1.873	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@H]4CCC(=O)N4)[C@@H]3C2)c1	ZINC001084717051	916462707	/nfs/dbraw/zinc/46/27/07/916462707.db2.gz	HBQFHBSSOJNMEY-KZNAEPCWSA-N	1	0	352.438	1.260	20	30		FDEDRO
C=C(Cl)CN1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1	ZINC001084714269	916491487	/nfs/dbraw/zinc/49/14/87/916491487.db2.gz	YJNBTYBOIXGLKT-GDBMZVCRSA-N	1	0	351.882	1.344	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCCOC3)C[C@H]21	ZINC001084783421	917120671	/nfs/dbraw/zinc/12/06/71/917120671.db2.gz	POTXUPGGQGPYER-ZHALLVOQSA-N	1	0	369.465	1.667	20	30		FDEDRO
CN1C(=O)CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001084804608	917255230	/nfs/dbraw/zinc/25/52/30/917255230.db2.gz	ZYUVIFBHABVDGN-CEXWTWQISA-N	1	0	366.465	1.602	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ccccn4)C[C@@H]32)C1=O	ZINC001084879696	917943364	/nfs/dbraw/zinc/94/33/64/917943364.db2.gz	MQNATRQHFOHGBL-SZMVWBNQSA-N	1	0	354.454	1.405	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CCNC(=O)C4)C[C@@H]32)cc1	ZINC001084919576	918316844	/nfs/dbraw/zinc/31/68/44/918316844.db2.gz	AZVANPCTRRAILC-QYZOEREBSA-N	1	0	366.465	1.507	20	30		FDEDRO
Cn1oc(C(=O)N2CC[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)[C@H]3C2)cc1=O	ZINC001084928887	918379967	/nfs/dbraw/zinc/37/99/67/918379967.db2.gz	QFUXBJLCLCXAOM-SJORKVTESA-N	1	0	366.421	1.587	20	30		FDEDRO
Cc1nnc(CC(=O)N2CC[C@H]3CC[N@H+](CC#Cc4ccccc4)[C@H]3C2)[nH]1	ZINC001084936728	918511333	/nfs/dbraw/zinc/51/13/33/918511333.db2.gz	IHSFGMKYOZWJTJ-MOPGFXCFSA-N	1	0	363.465	1.630	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)CO[C@@H]4CCOC4)C[C@@H]32)cc1	ZINC001084938968	918597114	/nfs/dbraw/zinc/59/71/14/918597114.db2.gz	MZWSNZDFOKEZED-AQNXPRMDSA-N	1	0	369.465	1.787	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(C(CC)CC)C3)C[C@@H]21	ZINC001084951856	918717186	/nfs/dbraw/zinc/71/71/86/918717186.db2.gz	CPIAXXDSWJMKBT-LMMKCTJWSA-N	1	0	359.514	1.970	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3c(=O)[nH]nc(CC)c3CC)C[C@@H]21	ZINC001084951547	918753129	/nfs/dbraw/zinc/75/31/29/918753129.db2.gz	HBKOXSKZCPZSRU-PBHICJAKSA-N	1	0	356.470	1.867	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)n3nnnc3C(C)(C)C)C[C@@H]21	ZINC001084955184	918780063	/nfs/dbraw/zinc/78/00/63/918780063.db2.gz	KKWSDUQAGOUIFR-OAGGEKHMSA-N	1	0	358.490	1.478	20	30		FDEDRO
C[NH+](C)CCCNC(=S)NN=Cc1ccc(OC[C@H]2CCCO2)cc1	ZINC000731930647	918851777	/nfs/dbraw/zinc/85/17/77/918851777.db2.gz	GOEOQFYEDHZRCC-QGZVFWFLSA-N	1	0	364.515	1.994	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCC(F)(F)F)[C@H]2C1	ZINC001084960938	918905102	/nfs/dbraw/zinc/90/51/02/918905102.db2.gz	AGQFOLSBSOCTIR-PMPSAXMXSA-N	1	0	357.420	1.959	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cnc(C)nc3)[C@H]2C1	ZINC001084961121	918906904	/nfs/dbraw/zinc/90/69/04/918906904.db2.gz	MALQJHPETRIJSB-AABGKKOBSA-N	1	0	367.497	1.305	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3c(C)noc3C)[C@H]2C1	ZINC001084961292	918909682	/nfs/dbraw/zinc/90/96/82/918909682.db2.gz	ZHGLMHIHFZKPCB-HOJAQTOUSA-N	1	0	370.497	1.812	20	30		FDEDRO
CC[NH+](CC)Cc1ccc(C(=O)NCCNC(=O)C2N=CC=CC2=O)o1	ZINC000732156421	919099715	/nfs/dbraw/zinc/09/97/15/919099715.db2.gz	MZXQKGMOIGHAJZ-VLGSPTGOSA-N	1	0	360.414	1.378	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CCCCS3(=O)=O)C[C@@H]21	ZINC001084990365	919315059	/nfs/dbraw/zinc/31/50/59/919315059.db2.gz	UFJMMSHCLPSMGV-SJORKVTESA-N	1	0	369.531	1.301	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CC[C@H]3CCS(=O)(=O)C3)[C@H]2C1	ZINC001085006273	919571243	/nfs/dbraw/zinc/57/12/43/919571243.db2.gz	KDYLHEBNDGHTBZ-BBWFWOEESA-N	1	0	368.543	1.946	20	30		FDEDRO
CN1C[C@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)[C@H]3C2)NC1=O	ZINC001085006769	919577222	/nfs/dbraw/zinc/57/72/22/919577222.db2.gz	XUVBQOCVZGEOFK-KURKYZTESA-N	1	0	367.453	1.005	20	30		FDEDRO
CN1CC[C@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4ccccc4C#N)[C@H]3C2)C1=O	ZINC001085012438	919595915	/nfs/dbraw/zinc/59/59/15/919595915.db2.gz	QKQBNHQSKMKWDS-MNEFBYGVSA-N	1	0	366.465	1.459	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)Cc4ccccc43)C[C@@H]21	ZINC001085043156	920019336	/nfs/dbraw/zinc/01/93/36/920019336.db2.gz	HJAGZTJHEZFNNC-APWZRJJASA-N	1	0	351.450	1.522	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)C[C@@H]21	ZINC001085054398	920166963	/nfs/dbraw/zinc/16/69/63/920166963.db2.gz	BSTRYKLUDDBWQX-AKHDSKFASA-N	1	0	356.470	1.234	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3c[nH]nc3-c3cnn(C)c3)C[C@@H]21	ZINC001085071658	920477750	/nfs/dbraw/zinc/47/77/50/920477750.db2.gz	XGJYHRMIJGWGTO-PBHICJAKSA-N	1	0	354.458	1.923	20	30		FDEDRO
O=C([C@@H]1CCC(=O)N1)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001085078972	920547321	/nfs/dbraw/zinc/54/73/21/920547321.db2.gz	YQGUISSXONPNMJ-QYZOEREBSA-N	1	0	351.450	1.240	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1CC[C@H]2CC[N@@H+](C[C@@H](C)OC)[C@H]2C1	ZINC001085077491	920578557	/nfs/dbraw/zinc/57/85/57/920578557.db2.gz	FLUYWSPFRDMZGL-NUJGCVRESA-N	1	0	357.454	1.665	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)Cc4ccc[nH]4)C[C@@H]32)C1=O	ZINC001085098084	920841925	/nfs/dbraw/zinc/84/19/25/920841925.db2.gz	WIHFRNRAVKPJGE-JQHSSLGASA-N	1	0	356.470	1.267	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ccnc(C)n4)C[C@@H]32)C1=O	ZINC001085095783	920875862	/nfs/dbraw/zinc/87/58/62/920875862.db2.gz	KTHYIJDAKCZYMP-SZMVWBNQSA-N	1	0	369.469	1.108	20	30		FDEDRO
COc1cc2c(cc1C[NH2+]CCNC(=O)C1N=CC=CC1=O)O[C@@H](C)C2	ZINC000733334892	920989732	/nfs/dbraw/zinc/98/97/32/920989732.db2.gz	TVLLMWOGVRGJIU-RUWSDDDDSA-N	1	0	357.410	1.635	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccncc2F)C1=O	ZINC001085158368	921865708	/nfs/dbraw/zinc/86/57/08/921865708.db2.gz	ZBQMMDNSFXUZEB-BRWVUGGUSA-N	1	0	360.433	1.638	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cncc(C)c2)C1=O	ZINC001085159087	921878738	/nfs/dbraw/zinc/87/87/38/921878738.db2.gz	HLAMPSBUQRTFLB-KZNAEPCWSA-N	1	0	356.470	1.808	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C#N)c[nH]2)C1=O	ZINC001085162334	921905356	/nfs/dbraw/zinc/90/53/56/921905356.db2.gz	MDZFWKBUISPKOF-OAGGEKHMSA-N	1	0	355.442	1.304	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(C#N)c1)C(=O)N1CCCCC1	ZINC001085176719	922007483	/nfs/dbraw/zinc/00/74/83/922007483.db2.gz	UBAFVTLMSPSHTR-BMGDILEWSA-N	1	0	371.485	1.918	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ncn(C)n2)cc1C#N	ZINC001085190831	922120387	/nfs/dbraw/zinc/12/03/87/922120387.db2.gz	VQJFFNNRFIOFJX-HZPDHXFCSA-N	1	0	368.441	1.526	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3c2nccnc2C#N)CC[N@@H+]1C	ZINC001066201925	922620668	/nfs/dbraw/zinc/62/06/68/922620668.db2.gz	HTJNQTUKWHQGCG-MUIFIZLQSA-N	1	0	354.458	1.258	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2ccnc(C#N)n2)CC[N@@H+]1C	ZINC001066202333	922622451	/nfs/dbraw/zinc/62/24/51/922622451.db2.gz	KIEUCTRCCVSEFX-HZMVEIRTSA-N	1	0	368.485	1.648	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@H]2CCN3c2nccnc2C#N)CC[N@@H+]1C	ZINC001066203814	922628418	/nfs/dbraw/zinc/62/84/18/922628418.db2.gz	XAUCHHCJMMYFAQ-XOYOTBSWSA-N	1	0	368.485	1.648	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nccn1CC	ZINC001085229861	922983138	/nfs/dbraw/zinc/98/31/38/922983138.db2.gz	NTRRQJHOGRLXPJ-KURKYZTESA-N	1	0	357.502	1.518	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)NCC(C)(C)N1CC[NH+](C)CC1	ZINC000734213627	923069191	/nfs/dbraw/zinc/06/91/91/923069191.db2.gz	OKFQZDMNLNWQCQ-UHFFFAOYSA-N	1	0	358.486	1.524	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N1CCC(OCC[NH+](C)C)CC1	ZINC000734278062	923157605	/nfs/dbraw/zinc/15/76/05/923157605.db2.gz	OLEAYRMLKOPOMR-UHFFFAOYSA-N	1	0	359.470	1.951	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccn2)CCC1=NNC(=S)NC[C@H]1CCCO1	ZINC000734363103	923260017	/nfs/dbraw/zinc/26/00/17/923260017.db2.gz	GAZGNHKFKIYWOV-GOEBONIOSA-N	1	0	361.515	1.923	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC1	ZINC000734535224	923428539	/nfs/dbraw/zinc/42/85/39/923428539.db2.gz	WQFNVMLGISOBTO-UHFFFAOYSA-N	1	0	374.460	1.558	20	30		FDEDRO
C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)s2)CNC(=O)C1	ZINC001085283685	923506586	/nfs/dbraw/zinc/50/65/86/923506586.db2.gz	XWCKIMPKVAQMDT-RKVPGOIHSA-N	1	0	360.483	1.663	20	30		FDEDRO
C=CC[C@@H](NC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccncc1	ZINC000734667245	923603484	/nfs/dbraw/zinc/60/34/84/923603484.db2.gz	WIBYFMQZEGZMOL-MSOLQXFVSA-N	1	0	373.501	1.941	20	30		FDEDRO
Cn1nnc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(C#N)ccc2F)n1	ZINC001085300356	923661601	/nfs/dbraw/zinc/66/16/01/923661601.db2.gz	PSDGMTIDFVBFME-HUUCEWRRSA-N	1	0	357.393	1.052	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(=O)cn1	ZINC001085312409	923731133	/nfs/dbraw/zinc/73/11/33/923731133.db2.gz	CXRQHAIOPGFHQW-HZPDHXFCSA-N	1	0	369.400	1.611	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccc(=O)n1C	ZINC001085326911	923893345	/nfs/dbraw/zinc/89/33/45/923893345.db2.gz	OQBVUCDNULDLDT-CHWSQXEVSA-N	1	0	368.275	1.925	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2CN(C(=O)C[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC001006245600	924023682	/nfs/dbraw/zinc/02/36/82/924023682.db2.gz	WGBYBSAWLQYJIX-QSFXBCCZSA-N	1	0	371.525	1.731	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C)c(C(N)=O)cn1	ZINC001085338856	924026463	/nfs/dbraw/zinc/02/64/63/924026463.db2.gz	FZPUXWXSXLLPKR-ZIAGYGMSSA-N	1	0	350.850	1.872	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccnc(OC)c2)nn1	ZINC001085357005	924180578	/nfs/dbraw/zinc/18/05/78/924180578.db2.gz	ZIYPAJUOJVVMMI-HZPDHXFCSA-N	1	0	370.457	1.699	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H](C)c2nnc(C)[nH]2)nn1	ZINC001085357373	924186758	/nfs/dbraw/zinc/18/67/58/924186758.db2.gz	RNYJIDQFRRZVST-MRVWCRGKSA-N	1	0	358.450	1.282	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O	ZINC001085360691	924221817	/nfs/dbraw/zinc/22/18/17/924221817.db2.gz	WGZRXCHDZFMIIL-HZMVEIRTSA-N	1	0	364.490	1.010	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)NC(=O)C1(C)C	ZINC001085383416	924358876	/nfs/dbraw/zinc/35/88/76/924358876.db2.gz	FGTDGTFYGQUFCV-VXGBXAGGSA-N	1	0	356.854	1.086	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cn([C@@H]2CCOC2)nn1	ZINC001085386543	924372702	/nfs/dbraw/zinc/37/27/02/924372702.db2.gz	BYIKVNICHYXFCZ-MGPQQGTHSA-N	1	0	353.854	1.623	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1cncn1C	ZINC001085394432	924425338	/nfs/dbraw/zinc/42/53/38/924425338.db2.gz	LCGXYFXFQZURSX-ZIAGYGMSSA-N	1	0	355.280	1.888	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCCN(C)C2=O)cn1	ZINC001085399241	924452234	/nfs/dbraw/zinc/45/22/34/924452234.db2.gz	YKOIFEUJQVAKQG-KZNAEPCWSA-N	1	0	354.454	1.314	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cn2cncn2)cc1F	ZINC001085414664	924544752	/nfs/dbraw/zinc/54/47/52/924544752.db2.gz	IEFVMUJHGZHGAY-IAGOWNOFSA-N	1	0	356.405	1.506	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cn2ccccc2=O)s1	ZINC001085418770	924576317	/nfs/dbraw/zinc/57/63/17/924576317.db2.gz	RRYSVSNRJPWXNE-IAGOWNOFSA-N	1	0	370.478	1.999	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC1	ZINC001066262984	924804177	/nfs/dbraw/zinc/80/41/77/924804177.db2.gz	JCSMDDMXLMGBCX-JQHSSLGASA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)CC1	ZINC000740735329	925419318	/nfs/dbraw/zinc/41/93/18/925419318.db2.gz	AECNTCGXNMXVRY-UHFFFAOYSA-N	1	0	359.382	1.599	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1	ZINC000740735624	925419969	/nfs/dbraw/zinc/41/99/69/925419969.db2.gz	JTBAGVNWNISMNY-UHFFFAOYSA-N	1	0	367.409	1.998	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)Cc2c(C)nc3c(c(=O)[nH]n3C)c2C)CC1	ZINC000740748263	925435362	/nfs/dbraw/zinc/43/53/62/925435362.db2.gz	ASPVTRLUWJIVEV-UHFFFAOYSA-N	1	0	369.469	1.437	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3OCC[C@H]3C(C)C)C2)C1=O	ZINC001086088223	925932301	/nfs/dbraw/zinc/93/23/01/925932301.db2.gz	LLTBFJUEZKYVAP-ADHGMGHFSA-N	1	0	363.502	1.319	20	30		FDEDRO
Cc1cc(C#N)nc(NCC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001066394134	925977512	/nfs/dbraw/zinc/97/75/12/925977512.db2.gz	ROKHTHKINLLAFK-BFYDXBDKSA-N	1	0	356.474	1.647	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCC[N@H+]2CCC[C@H]2C)c1	ZINC000742239446	925981450	/nfs/dbraw/zinc/98/14/50/925981450.db2.gz	MWULAUODGXQAGQ-CQSZACIVSA-N	1	0	351.472	1.365	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C3)cn1	ZINC001006285592	926079183	/nfs/dbraw/zinc/07/91/83/926079183.db2.gz	IYVQAPBFBPMHOX-PIKADFDJSA-N	1	0	366.465	1.409	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cn(C(C)(C)C)nn2)C1	ZINC001086202321	926287814	/nfs/dbraw/zinc/28/78/14/926287814.db2.gz	TUIBBCKRYKMLJT-WTTBNOFXSA-N	1	0	361.490	1.609	20	30		FDEDRO
C#Cc1cncc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C3)c1	ZINC001006290210	926339585	/nfs/dbraw/zinc/33/95/85/926339585.db2.gz	WDSAGQHBLMCLJY-AXUOBQJMSA-N	1	0	366.465	1.266	20	30		FDEDRO
C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CCC[C@H](C)[C@@H]2CCC)c1=O	ZINC000743380145	926352073	/nfs/dbraw/zinc/35/20/73/926352073.db2.gz	FYUHSNIIGFSCBA-HOTGVXAUSA-N	1	0	362.474	1.402	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](CNc3cncc(C#N)n3)CC2)CC[N@@H+]1C	ZINC001066450976	926354277	/nfs/dbraw/zinc/35/42/77/926354277.db2.gz	KMCFBHLNVYQOBF-KCYZZUKISA-N	1	0	356.474	1.775	20	30		FDEDRO
COC(=O)CC[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)C1CCOCC1	ZINC000743871445	926482452	/nfs/dbraw/zinc/48/24/52/926482452.db2.gz	FJXYSYKXHQUAGH-QGZVFWFLSA-N	1	0	362.426	1.342	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-n3ccnc3C)nc2)CC1	ZINC000743945903	926505939	/nfs/dbraw/zinc/50/59/39/926505939.db2.gz	CTOIIUSUUQECRF-UHFFFAOYSA-N	1	0	368.441	1.281	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1	ZINC001086369497	926865441	/nfs/dbraw/zinc/86/54/41/926865441.db2.gz	KNJXLKIGKVWULR-ZKXLYKBJSA-N	1	0	363.502	1.368	20	30		FDEDRO
C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2cnn(CC#N)c2)C1	ZINC000746375663	927923965	/nfs/dbraw/zinc/92/39/65/927923965.db2.gz	AJQNIGROSVCSPP-KBPBESRZSA-N	1	0	360.462	1.218	20	30		FDEDRO
C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@H](C#N)C1	ZINC001169204897	928358184	/nfs/dbraw/zinc/35/81/84/928358184.db2.gz	DFJJVMDFZZYCOU-HUUCEWRRSA-N	1	0	372.473	1.228	20	30		FDEDRO
N#Cc1c2c(cn(CN3CCC(OCC[NH+]4CCCC4)CC3)c1=O)CCC2	ZINC000766637272	928371924	/nfs/dbraw/zinc/37/19/24/928371924.db2.gz	OVVPGXUODOVLKT-UHFFFAOYSA-N	1	0	370.497	1.743	20	30		FDEDRO
CC(=O)N1CC[C@H]([N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)C1	ZINC001169544844	928757274	/nfs/dbraw/zinc/75/72/74/928757274.db2.gz	HZMUREZUPPANBI-AZUAARDMSA-N	1	0	352.438	1.608	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@]2(C)CCOC2)[C@@H](n2ccnn2)C1	ZINC001129342651	928870333	/nfs/dbraw/zinc/87/03/33/928870333.db2.gz	TZPSWLFGJIRAIN-AOIWGVFYSA-N	1	0	361.490	1.793	20	30		FDEDRO
COC(=O)C1(C(=O)OCCC#Cc2ccc(CN3CCOCC3)cc2)CC1	ZINC000766876662	928955300	/nfs/dbraw/zinc/95/53/00/928955300.db2.gz	ATDNPDJJKKDNAU-UHFFFAOYSA-N	1	0	371.433	1.757	20	30		FDEDRO
COC(=O)n1ncc(C#N)c1Nc1ccccc1C(=O)NC1CC[NH2+]CC1	ZINC001169968938	928969957	/nfs/dbraw/zinc/96/99/57/928969957.db2.gz	PMRXGSJMJIEJJB-UHFFFAOYSA-N	1	0	368.397	1.595	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCCOC2)[C@@H](n2ccnn2)C1	ZINC001129359917	929135816	/nfs/dbraw/zinc/13/58/16/929135816.db2.gz	PHRRNLCQQNYQQA-KSZLIROESA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@H+]1CCOC)c1ccncc1	ZINC000804354437	929318852	/nfs/dbraw/zinc/31/88/52/929318852.db2.gz	KWPHTVFLHYVBSD-SJORKVTESA-N	1	0	360.458	1.042	20	30		FDEDRO
N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO[C@@H]1CCOC1	ZINC001108951870	929566530	/nfs/dbraw/zinc/56/65/30/929566530.db2.gz	IKYWYQHSKGYJPH-WCVJEAGWSA-N	1	0	353.488	1.160	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCCCS1(=O)=O)C2	ZINC001109527410	929675404	/nfs/dbraw/zinc/67/54/04/929675404.db2.gz	RSDUJVLDBOVPLE-YVSFHVDLSA-N	1	0	369.531	1.488	20	30		FDEDRO
N#Cc1ccc([C@H]([NH2+]C2CCC(O)(c3cccnc3)CC2)C(N)=O)cc1	ZINC000769841787	929719092	/nfs/dbraw/zinc/71/90/92/929719092.db2.gz	GIAZQPMTUJVTBT-FDYSRKEFSA-N	1	0	350.422	1.900	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1COCCN1CC(F)F)C2	ZINC001109560758	929763286	/nfs/dbraw/zinc/76/32/86/929763286.db2.gz	PXBXQFNGJTWJJB-FXUDXRNXSA-N	1	0	357.445	1.640	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)N(C)C	ZINC001109634598	929954022	/nfs/dbraw/zinc/95/40/22/929954022.db2.gz	RIKITIMCYQHWRI-YVSFHVDLSA-N	1	0	371.547	1.592	20	30		FDEDRO
CCOC(=O)CNC(=O)C1CC[NH+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1	ZINC000770358562	929971270	/nfs/dbraw/zinc/97/12/70/929971270.db2.gz	CGKMEWPEDWFVBP-HNNXBMFYSA-N	1	0	373.453	1.869	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOC[C@H]2CCCO2)c1	ZINC001109696487	930140237	/nfs/dbraw/zinc/14/02/37/930140237.db2.gz	DKVHWAMHPNLDFD-ZRNYENFQSA-N	1	0	369.465	1.594	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)OCc1ccncc1)C2	ZINC001109738599	930280202	/nfs/dbraw/zinc/28/02/02/930280202.db2.gz	VGEOKSWQVKKJHQ-YSHGAJCASA-N	1	0	359.470	1.911	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNS(=O)(=O)CC	ZINC001109769514	930369817	/nfs/dbraw/zinc/36/98/17/930369817.db2.gz	GUGPRWKGZROHAH-PMPSAXMXSA-N	1	0	371.547	1.640	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC(=O)NCC2CC2)C3)c1	ZINC001109951934	930861030	/nfs/dbraw/zinc/86/10/30/930861030.db2.gz	JOSKTGSGXBYBNG-QYZOEREBSA-N	1	0	366.465	1.696	20	30		FDEDRO
COC(=O)C1=NOC2(C1)CC[NH+](CCC(=O)Nc1cccc(C#N)c1)CC2	ZINC000771785690	930887068	/nfs/dbraw/zinc/88/70/68/930887068.db2.gz	OYGGYOKXRJHRTR-UHFFFAOYSA-N	1	0	370.409	1.671	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCCOc2ccc(OC)cc2[N+](=O)[O-])CC1	ZINC000772113309	931081818	/nfs/dbraw/zinc/08/18/18/931081818.db2.gz	LFQPNLVYBUVWMU-UHFFFAOYSA-N	1	0	362.382	1.871	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCCOc2cccc(S(C)(=O)=O)c2)CC1	ZINC000772116632	931082523	/nfs/dbraw/zinc/08/25/23/931082523.db2.gz	VZFFASSFXDKKDH-UHFFFAOYSA-N	1	0	365.451	1.357	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CCC)C2	ZINC001110016556	931098283	/nfs/dbraw/zinc/09/82/83/931098283.db2.gz	UFAYARLSFKCAHB-SQNIBIBYSA-N	1	0	364.534	1.474	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CO[C@@H](C)c1nccn1C)C2	ZINC001110043168	931222072	/nfs/dbraw/zinc/22/20/72/931222072.db2.gz	YNALTHBYNDZNQK-YVSFHVDLSA-N	1	0	362.474	1.422	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1nc3ncccn3n1)C2	ZINC001112549156	931513352	/nfs/dbraw/zinc/51/33/52/931513352.db2.gz	KOLJIXXMODZDCU-KXBFYZLASA-N	1	0	354.458	1.922	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCc1nc(CC)no1)C2	ZINC001112560728	931564896	/nfs/dbraw/zinc/56/48/96/931564896.db2.gz	MKKVUMDBLWKROU-KXBFYZLASA-N	1	0	362.474	1.943	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)CCCOC)C2	ZINC001112559087	931582926	/nfs/dbraw/zinc/58/29/26/931582926.db2.gz	JEWVKJYWSQIGIL-HBFSDRIKSA-N	1	0	350.503	1.917	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC(=O)NCCCOC)C2	ZINC001112561093	931586226	/nfs/dbraw/zinc/58/62/26/931586226.db2.gz	GVPUPAYJPMRYEK-LPHOPBHVSA-N	1	0	351.491	1.324	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1conc1COC)C2	ZINC001112561495	931589498	/nfs/dbraw/zinc/58/94/98/931589498.db2.gz	CMDNVCLHCGWBSH-KXBFYZLASA-N	1	0	361.442	1.303	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c[nH]nc1-c1cnn(C)c1)C2	ZINC001112561472	931589576	/nfs/dbraw/zinc/58/95/76/931589576.db2.gz	ASXSBIKHPMHEQR-KXBFYZLASA-N	1	0	352.442	1.275	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1oc(CC)cc1C)C2	ZINC001112563657	931589593	/nfs/dbraw/zinc/58/95/93/931589593.db2.gz	GVGULFIHSIPSEC-KKSFZXQISA-N	1	0	371.481	1.732	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CS(=O)(=O)C(C)(C)C)C2	ZINC001112564402	931607604	/nfs/dbraw/zinc/60/76/04/931607604.db2.gz	RMBRVGFVFBXNQZ-YJBOKZPZSA-N	1	0	356.532	1.994	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H](C)n1cccc1)C2	ZINC001112565579	931613810	/nfs/dbraw/zinc/61/38/10/931613810.db2.gz	IYPHKCUEMBIGCA-LQWHRVPQSA-N	1	0	370.497	1.407	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC)C1	ZINC001112569622	931662547	/nfs/dbraw/zinc/66/25/47/931662547.db2.gz	HFRGYKJBGSSTRM-RXVVDRJESA-N	1	0	353.466	1.175	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)c1ccc(C)s1)C2	ZINC001112573238	931673756	/nfs/dbraw/zinc/67/37/56/931673756.db2.gz	RQJASDRRPMTFNJ-KXBFYZLASA-N	1	0	359.495	1.638	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)Cc1ccccc1)C2	ZINC001112573974	931679738	/nfs/dbraw/zinc/67/97/38/931679738.db2.gz	HCISHBITTKWYJS-UGKGYDQZSA-N	1	0	367.493	1.587	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCn1cccn1)C2	ZINC001112581288	931743123	/nfs/dbraw/zinc/74/31/23/931743123.db2.gz	HJOUWKDKFASTIU-ICSRJNTNSA-N	1	0	358.486	1.531	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCNC(=O)c1cnccn1)C2	ZINC001112581915	931747696	/nfs/dbraw/zinc/74/76/96/931747696.db2.gz	AHRDGNVIWOHHQZ-JXFKEZNVSA-N	1	0	371.485	1.391	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)CCOC)C2	ZINC001112581981	931747772	/nfs/dbraw/zinc/74/77/72/931747772.db2.gz	CZGOLPSENFKACJ-BXWFABGCSA-N	1	0	351.491	1.180	20	30		FDEDRO
CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC#Cc1ccccc1)C2	ZINC001112583306	931753615	/nfs/dbraw/zinc/75/36/15/931753615.db2.gz	MWTBDEMEONBIJG-RXVVDRJESA-N	1	0	353.466	1.393	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CN(CC)CCO1)C2	ZINC001112583494	931754409	/nfs/dbraw/zinc/75/44/09/931754409.db2.gz	UXHLAFPMDJBUSK-JZXOWHBKSA-N	1	0	355.910	1.678	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCn1cc(C)cn1)C2	ZINC001112584623	931786493	/nfs/dbraw/zinc/78/64/93/931786493.db2.gz	AWPNKZVLJKWWEP-ICSRJNTNSA-N	1	0	358.486	1.450	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)NC(=O)NC)C2	ZINC001112584956	931787147	/nfs/dbraw/zinc/78/71/47/931787147.db2.gz	RHEIGVKVASOXKC-KXBFYZLASA-N	1	0	366.506	1.115	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N[C@H](C)CC)C1	ZINC001112588471	931797835	/nfs/dbraw/zinc/79/78/35/931797835.db2.gz	AMHDYPASPQNZEI-UWVAXJGDSA-N	1	0	365.518	1.712	20	30		FDEDRO
N#Cc1ccccc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCC(N)=O)C2	ZINC001112592128	931825059	/nfs/dbraw/zinc/82/50/59/931825059.db2.gz	XPGSWSPRZVVAJI-RXVVDRJESA-N	1	0	368.481	1.932	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1[nH]cnc1C)C2	ZINC001112593117	931844112	/nfs/dbraw/zinc/84/41/12/931844112.db2.gz	XPPFINVQKKEAHB-VCBZYWHSSA-N	1	0	359.474	1.241	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O)[NH+]1CCCCC1	ZINC001090440267	931852270	/nfs/dbraw/zinc/85/22/70/931852270.db2.gz	RZIRRWARDTZBLH-QRQLOZEOSA-N	1	0	371.485	1.129	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc3nnn(C)c31)C2	ZINC001112594473	931886516	/nfs/dbraw/zinc/88/65/16/931886516.db2.gz	ANCCXNYQYVOUBN-YWZLYKJASA-N	1	0	351.454	1.824	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](CC)CC)[C@H]1CCCO1	ZINC000786650907	931984548	/nfs/dbraw/zinc/98/45/48/931984548.db2.gz	QHOPYVSHSIZTBP-YESZJQIVSA-N	1	0	351.491	1.156	20	30		FDEDRO
C[C@@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCC1)C(=O)NC1(C#N)CCC1	ZINC000786785505	932032226	/nfs/dbraw/zinc/03/22/26/932032226.db2.gz	NDXHNQPTOVQVOT-CYBMUJFWSA-N	1	0	350.463	1.974	20	30		FDEDRO
N#Cc1ccc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)nn1	ZINC001170065322	932084227	/nfs/dbraw/zinc/08/42/27/932084227.db2.gz	AUFYNANCKTYVLC-UHFFFAOYSA-N	1	0	354.395	1.050	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(=O)n(CCCC)n1)C2	ZINC001110083319	932280375	/nfs/dbraw/zinc/28/03/75/932280375.db2.gz	HDIPIIOBFQHLRK-NJAFHUGGSA-N	1	0	374.485	1.581	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1	ZINC000787710003	932379893	/nfs/dbraw/zinc/37/98/93/932379893.db2.gz	ZJLQXQMORWEBGP-RYUDHWBXSA-N	1	0	360.296	1.495	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1	ZINC000787893120	932453616	/nfs/dbraw/zinc/45/36/16/932453616.db2.gz	BZDGFEWRYWGGGY-UHFFFAOYSA-N	1	0	360.296	1.640	20	30		FDEDRO
C[NH+](C)[C@@H]1CCCC(N=Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1	ZINC000788407892	932697148	/nfs/dbraw/zinc/69/71/48/932697148.db2.gz	HSDOSXXEZWRHPI-LLVKDONJSA-N	1	0	355.420	1.514	20	30		FDEDRO
N#Cc1cccc(-c2cc(C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)on2)c1	ZINC000789919613	933239159	/nfs/dbraw/zinc/23/91/59/933239159.db2.gz	PSVWXHGDUSCAKF-HOTGVXAUSA-N	1	0	352.394	1.806	20	30		FDEDRO
C#CCn1ccc(CN(CC)CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)n1	ZINC000790391684	933508474	/nfs/dbraw/zinc/50/84/74/933508474.db2.gz	WHAFFKZWCIWFKK-LJQANCHMSA-N	1	0	357.458	1.212	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccn3nnnc23)C1	ZINC001086590129	933653815	/nfs/dbraw/zinc/65/38/15/933653815.db2.gz	NAYQGJKGZDALEG-ZWKOTPCHSA-N	1	0	362.437	1.898	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)CC(C)(C)CNc2nccnc2C#N)CC[N@@H+]1C	ZINC001113463532	933829459	/nfs/dbraw/zinc/82/94/59/933829459.db2.gz	ZDLHJJHUDKGFKK-GOEBONIOSA-N	1	0	358.490	1.975	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1	ZINC001086592848	933839644	/nfs/dbraw/zinc/83/96/44/933839644.db2.gz	KXTAEYLHDFKMDP-YESZJQIVSA-N	1	0	370.453	1.135	20	30		FDEDRO
C#CCOc1ccc(C(=O)O[C@@H]2CCCN(c3cc[nH+]c(N)n3)C2)cc1	ZINC000791108903	933877131	/nfs/dbraw/zinc/87/71/31/933877131.db2.gz	PWNBIKOVENFDKY-MRXNPFEDSA-N	1	0	352.394	1.897	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccnn2CCOC)C1	ZINC001086594314	933880626	/nfs/dbraw/zinc/88/06/26/933880626.db2.gz	SEKYOBSOVYLMKV-RBUKOAKNSA-N	1	0	366.465	1.751	20	30		FDEDRO
C=C(CO)C(=O)Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1	ZINC000791345916	933967795	/nfs/dbraw/zinc/96/77/95/933967795.db2.gz	QSNUVKSSDNQQLZ-UHFFFAOYSA-N	1	0	366.465	1.933	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)NCc1cccc(C[N@@H+](C)CC)c1)[C@@H]1CCCO1	ZINC000793872163	938331816	/nfs/dbraw/zinc/33/18/16/938331816.db2.gz	XTEUUXXKXVKKGM-MSOLQXFVSA-N	1	0	357.454	1.052	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2cccc(N3C(=O)CNC3=O)c2C)CC1	ZINC000794274707	938380198	/nfs/dbraw/zinc/38/01/98/938380198.db2.gz	HOSXPEUWFZPGSV-UHFFFAOYSA-N	1	0	354.410	1.335	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(C(=O)Cc2ccc(OCC#N)cc2)CC1	ZINC000794339501	938389146	/nfs/dbraw/zinc/38/91/46/938389146.db2.gz	OFZUWQWSMUJYTM-UHFFFAOYSA-N	1	0	366.421	1.884	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)C1	ZINC001086622083	938403724	/nfs/dbraw/zinc/40/37/24/938403724.db2.gz	FJETWQMZYKHZCP-XUVXKRRUSA-N	1	0	371.481	1.394	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)[nH]c2)[C@@H](n2ccnn2)C1	ZINC001129411633	938406674	/nfs/dbraw/zinc/40/66/74/938406674.db2.gz	ATJLWYYDKJZYJB-BMFZPTHFSA-N	1	0	356.430	1.389	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)C(C)(C)C)[C@@H](n2ccnn2)C1	ZINC001129404190	938416996	/nfs/dbraw/zinc/41/69/96/938416996.db2.gz	NHECFDDXDSQAEP-ZACQAIPSSA-N	1	0	363.506	1.895	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)[C@@H](n2ccnn2)C1	ZINC001129470517	938430312	/nfs/dbraw/zinc/43/03/12/938430312.db2.gz	KFWNSMWVCGTPOE-PTQIDZKGSA-N	1	0	371.485	1.114	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@@H]1n1ccnn1	ZINC001129477038	938432782	/nfs/dbraw/zinc/43/27/82/938432782.db2.gz	WXRZGYNYFRWMDH-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)CN(C)c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129484886	938440285	/nfs/dbraw/zinc/44/02/85/938440285.db2.gz	NRKSOUQKILYBOF-MSOLQXFVSA-N	1	0	354.458	1.332	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)CN(C)c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129485110	938440495	/nfs/dbraw/zinc/44/04/95/938440495.db2.gz	VKXPPRZAPNPYCQ-MOPGFXCFSA-N	1	0	368.485	1.722	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)NC(C)=O)C[C@@H]1n1ccnn1	ZINC001129553028	938452383	/nfs/dbraw/zinc/45/23/83/938452383.db2.gz	MUKOZXROJXADED-OIISXLGYSA-N	1	0	364.494	1.115	20	30		FDEDRO
O=C(c1ccc[nH]1)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129573712	938458886	/nfs/dbraw/zinc/45/88/86/938458886.db2.gz	UIAJTXVZASJNOC-MOPGFXCFSA-N	1	0	360.421	1.313	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccc(C)nc2)C[C@@H]1n1ccnn1	ZINC001129582883	938464809	/nfs/dbraw/zinc/46/48/09/938464809.db2.gz	UAKAJFKNVNXBBG-JQHSSLGASA-N	1	0	354.458	1.992	20	30		FDEDRO
C#CCNc1nc(NC[C@]2(C)CCCO2)[nH+]c(NC[C@]2(C)CCCO2)n1	ZINC000804540968	938466815	/nfs/dbraw/zinc/46/68/15/938466815.db2.gz	KGLSCSTZHUNRQU-ROUUACIJSA-N	1	0	360.462	1.879	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]C[C@H](O)Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129667522	938478980	/nfs/dbraw/zinc/47/89/80/938478980.db2.gz	XJSOUJYOWQLWQE-QRVBRYPASA-N	1	0	369.469	1.189	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]([NH2+][C@H](CC)c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129680915	938483959	/nfs/dbraw/zinc/48/39/59/938483959.db2.gz	GJLQDRXYYOLSHT-QRVBRYPASA-N	1	0	369.469	1.974	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCOC2)C[C@@H]1n1ccnn1	ZINC001129699424	938488563	/nfs/dbraw/zinc/48/85/63/938488563.db2.gz	UUHRGNCRILJWEB-KURKYZTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCCCC)C[C@@H]1n1ccnn1	ZINC001129674937	938490239	/nfs/dbraw/zinc/49/02/39/938490239.db2.gz	BALATIOUHZCBTL-ZACQAIPSSA-N	1	0	365.478	1.027	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]CCOc2ccc(C)cc2)[C@@H](n2ccnn2)C1	ZINC001129677303	938490812	/nfs/dbraw/zinc/49/08/12/938490812.db2.gz	DFWVYEXOQAZYBV-MOPGFXCFSA-N	1	0	369.469	1.973	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@@H]1n1ccnn1	ZINC001129724482	938494527	/nfs/dbraw/zinc/49/45/27/938494527.db2.gz	WGDHYWHRQAZTDR-BMFZPTHFSA-N	1	0	356.430	1.389	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H]([NH2+]CC2CC(C)(C)C2)[C@@H](n2ccnn2)C1	ZINC001129796060	938509472	/nfs/dbraw/zinc/50/94/72/938509472.db2.gz	ZKVNXTUUQVACTB-GJYPPUQNSA-N	1	0	361.490	1.383	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccnn2CC)C[C@@H]1n1ccnn1	ZINC001129782029	938514882	/nfs/dbraw/zinc/51/48/82/938514882.db2.gz	BFGQQJFWYGZCKB-UXLLHSPISA-N	1	0	357.462	1.505	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H]([NH2+]C[C@@H]2CC(C)(C)CO2)[C@@H](n2ccnn2)C1	ZINC001129822189	938521932	/nfs/dbraw/zinc/52/19/32/938521932.db2.gz	JHUAXUGXFRUFPR-BBWFWOEESA-N	1	0	359.474	1.094	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2ccccc2C)[C@@H](n2ccnn2)C1	ZINC001129829744	938523686	/nfs/dbraw/zinc/52/36/86/938523686.db2.gz	NUWSRVDVXPBNIK-QRQLOZEOSA-N	1	0	367.453	1.167	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CCCC(C)(C)C)[C@@H](n2ccnn2)C1	ZINC001129829462	938523711	/nfs/dbraw/zinc/52/37/11/938523711.db2.gz	IKABVIPUEQXQGQ-BBWFWOEESA-N	1	0	361.490	1.484	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)cc2)[C@@H](n2ccnn2)C1	ZINC001129829732	938523734	/nfs/dbraw/zinc/52/37/34/938523734.db2.gz	NRGKJHXFZAZWAX-MOPGFXCFSA-N	1	0	367.453	1.632	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CC/C=C/CCC)[C@@H](n2ccnn2)C1	ZINC001129829951	938523901	/nfs/dbraw/zinc/52/39/01/938523901.db2.gz	QUYGEGYVJRULFH-GGMNTJEBSA-N	1	0	359.474	1.404	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(OC)ncn2)C[C@@H]1n1ccnn1	ZINC001129844165	938525136	/nfs/dbraw/zinc/52/51/36/938525136.db2.gz	DSRHVHDUNHUGKP-IMJJTQAJSA-N	1	0	371.445	1.087	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2[nH]cnc2C(C)(C)C)C[C@@H]1n1ccnn1	ZINC001129849913	938526782	/nfs/dbraw/zinc/52/67/82/938526782.db2.gz	BEFBAIYYFLBKFW-CABCVRRESA-N	1	0	371.489	1.920	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCOCC(F)F)C[C@@H]1n1ccnn1	ZINC001129863857	938531895	/nfs/dbraw/zinc/53/18/95/938531895.db2.gz	KVJRVLUIFSNQTN-ZNMIVQPWSA-N	1	0	371.432	1.646	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cncc3nc[nH]c32)C[C@@H]1n1ccnn1	ZINC001129864181	938531898	/nfs/dbraw/zinc/53/18/98/938531898.db2.gz	SEMHIOSOCLADPP-CVEARBPZSA-N	1	0	366.429	1.171	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]CC2CC(OCC)C2)[C@@H](n2ccnn2)C1	ZINC001129834012	938533177	/nfs/dbraw/zinc/53/31/77/938533177.db2.gz	LDZDKYQTGMDJQK-HIEASXQVSA-N	1	0	359.474	1.238	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ncnc3ccsc32)C[C@@H]1n1ccnn1	ZINC001129887745	938540500	/nfs/dbraw/zinc/54/05/00/938540500.db2.gz	OMTXNOFZCZQUDE-KGLIPLIRSA-N	1	0	369.454	1.514	20	30		FDEDRO
C#CCNc1nc(NCCC2(O)CCC2)[nH+]c(NCCC2(O)CCC2)n1	ZINC000804720616	938541003	/nfs/dbraw/zinc/54/10/03/938541003.db2.gz	UQVJKPCVTRTLQG-UHFFFAOYSA-N	1	0	360.462	1.351	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2cc(C3CC3)no2)C[C@@H]1n1ccnn1	ZINC001129890567	938541485	/nfs/dbraw/zinc/54/14/85/938541485.db2.gz	OAVYDEIFGQGNMT-MSOLQXFVSA-N	1	0	370.457	1.694	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C(F)F)nc2)C[C@@H]1n1ccnn1	ZINC001129892057	938542672	/nfs/dbraw/zinc/54/26/72/938542672.db2.gz	FMAGOVIZVLQSSC-CABCVRRESA-N	1	0	360.368	1.289	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]([NH2+]CCCOCC)[C@@H](n2ccnn2)C1	ZINC001129867620	938544166	/nfs/dbraw/zinc/54/41/66/938544166.db2.gz	UWAUXVOWXQLGQZ-CABCVRRESA-N	1	0	369.897	1.825	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(OCC)n[nH]2)C[C@@H]1n1ccnn1	ZINC001129904497	938547956	/nfs/dbraw/zinc/54/79/56/938547956.db2.gz	HDJQBWMTWGCFNN-CABCVRRESA-N	1	0	359.434	1.021	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ncc(F)cc2F)C[C@@H]1n1ccnn1	ZINC001129917088	938554076	/nfs/dbraw/zinc/55/40/76/938554076.db2.gz	LCULHPFJHGGBAI-CABCVRRESA-N	1	0	362.384	1.573	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]([NH2+]C[C@H](C)CC)[C@@H](n2ccnn2)C1	ZINC001129894553	938555789	/nfs/dbraw/zinc/55/57/89/938555789.db2.gz	JIDHPZMGXXNELG-NUJGCVRESA-N	1	0	356.474	1.967	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H]([NH2+]CCC3CC3)[C@@H](n3ccnn3)C2)CCOCC1	ZINC001129894689	938555973	/nfs/dbraw/zinc/55/59/73/938555973.db2.gz	PNWUIYAFNJWTBS-MSOLQXFVSA-N	1	0	371.485	1.240	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnc3n2CCC3)C[C@@H]1n1ccnn1	ZINC001129897869	938558599	/nfs/dbraw/zinc/55/85/99/938558599.db2.gz	KZVAXZGNHGWOGN-ZBFHGGJFSA-N	1	0	355.446	1.042	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2cnn(C)c2)C[C@@H]1n1ccnn1	ZINC001129941342	938566675	/nfs/dbraw/zinc/56/66/75/938566675.db2.gz	WFOYJMSBPXKOMB-JQHSSLGASA-N	1	0	371.489	1.513	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnn(C(C)(C)C)c2)C[C@@H]1n1ccnn1	ZINC001129919243	938567912	/nfs/dbraw/zinc/56/79/12/938567912.db2.gz	RMAWAOKXUKYWAW-SJORKVTESA-N	1	0	371.489	1.851	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnn(CCF)c2)C[C@@H]1n1ccnn1	ZINC001129920980	938568277	/nfs/dbraw/zinc/56/82/77/938568277.db2.gz	IQTZXUPWUWWHEC-CVEARBPZSA-N	1	0	361.425	1.066	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C(=O)Nc2ccccc2)C[C@@H]1n1ccnn1	ZINC001129923687	938569468	/nfs/dbraw/zinc/56/94/68/938569468.db2.gz	QKZIINLUSOXUSQ-SJORKVTESA-N	1	0	368.441	1.225	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccn3ccnc3c2)C[C@@H]1n1ccnn1	ZINC001129930834	938573280	/nfs/dbraw/zinc/57/32/80/938573280.db2.gz	WVORLJZLKMBKRY-CVEARBPZSA-N	1	0	351.414	1.157	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3ccsc3[nH]2)C[C@@H]1n1ccnn1	ZINC001129949199	938574100	/nfs/dbraw/zinc/57/41/00/938574100.db2.gz	UOHIQRUJQICYCM-CABCVRRESA-N	1	0	354.439	1.500	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]CCCOCC)[C@@H](n3ccnn3)C2)cc1	ZINC001129954482	938576589	/nfs/dbraw/zinc/57/65/89/938576589.db2.gz	PKFJDJQKGXOYHM-MOPGFXCFSA-N	1	0	367.453	1.341	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2occ3c2CCOC3)C[C@@H]1n1ccnn1	ZINC001129945296	938580468	/nfs/dbraw/zinc/58/04/68/938580468.db2.gz	IDGBYPKXQXWCJR-CVEARBPZSA-N	1	0	357.414	1.175	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCOC2)[C@@H](n2ccnn2)C1	ZINC001129972713	938591594	/nfs/dbraw/zinc/59/15/94/938591594.db2.gz	KCGOPWXNVUYBDQ-KURKYZTESA-N	1	0	359.474	1.240	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCCC2(F)F)C[C@@H]1n1ccnn1	ZINC001129977889	938593094	/nfs/dbraw/zinc/59/30/94/938593094.db2.gz	IYSSPUFNIZTTIZ-ZNMIVQPWSA-N	1	0	351.401	1.468	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2CCC(=C)CC2)C[C@@H]1n1ccnn1	ZINC001129994514	938603376	/nfs/dbraw/zinc/60/33/76/938603376.db2.gz	SLMLOAITKSHIQH-MSOLQXFVSA-N	1	0	359.474	1.569	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H]([NH2+]CCOC2CCC2)[C@@H](n2ccnn2)C1	ZINC001129995810	938604448	/nfs/dbraw/zinc/60/44/48/938604448.db2.gz	KLMPZTKFLMGAFP-AOIWGVFYSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H]([NH2+]CCOCC(C)C)[C@@H](n3ccnn3)C2)C1	ZINC001129997682	938605935	/nfs/dbraw/zinc/60/59/35/938605935.db2.gz	XANLLONFUWBBGZ-SJORKVTESA-N	1	0	361.490	1.649	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)CCO3)C[C@@H]1n1ccnn1	ZINC001130014895	938616209	/nfs/dbraw/zinc/61/62/09/938616209.db2.gz	FZGBKCSIEOSDHB-SJORKVTESA-N	1	0	353.426	1.444	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCc2ccncc2)C[C@@H]1n1ccnn1	ZINC001130014729	938616282	/nfs/dbraw/zinc/61/62/82/938616282.db2.gz	BSDUMOSCLFGFOE-NXHRZFHOSA-N	1	0	370.457	1.196	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2[C@@H]3CCCCCC[C@@H]23)C[C@@H]1n1ccnn1	ZINC001130017551	938617935	/nfs/dbraw/zinc/61/79/35/938617935.db2.gz	MTHLTYLZOZSPEA-TVFCKZIOSA-N	1	0	355.486	1.859	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130020761	938619853	/nfs/dbraw/zinc/61/98/53/938619853.db2.gz	WKPGQEKWOAOVHA-QRQLOZEOSA-N	1	0	367.453	1.248	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H]([NH2+]C[C@H]2CCCCO2)[C@@H](n2ccnn2)C1	ZINC001130022951	938620998	/nfs/dbraw/zinc/62/09/98/938620998.db2.gz	RGGBQAJCISKALQ-ZACQAIPSSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@@H]1n1ccnn1	ZINC001130006026	938623459	/nfs/dbraw/zinc/62/34/59/938623459.db2.gz	PMUPEVCRZHLPEB-OAGGEKHMSA-N	1	0	368.913	1.493	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C=C)C[C@@H]1n1ccnn1	ZINC001130009283	938626123	/nfs/dbraw/zinc/62/61/23/938626123.db2.gz	GSNDMJNDXQLLLR-YRXWBPOGSA-N	1	0	373.501	1.957	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)OC2CCCC2)C[C@@H]1n1ccnn1	ZINC001130024189	938628264	/nfs/dbraw/zinc/62/82/64/938628264.db2.gz	MMXTXJYINQGNCW-SQNIBIBYSA-N	1	0	359.474	1.381	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)CC(C)(C)C)C[C@@H]1n1ccnn1	ZINC001130030717	938632221	/nfs/dbraw/zinc/63/22/21/938632221.db2.gz	NSHYUXRWYBHZCC-ZACQAIPSSA-N	1	0	361.490	1.342	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc(OC)c2F)C[C@@H]1n1ccnn1	ZINC001130050196	938637380	/nfs/dbraw/zinc/63/73/80/938637380.db2.gz	NFZJXECFHONLPQ-CABCVRRESA-N	1	0	357.389	1.104	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCN(C)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130047047	938645932	/nfs/dbraw/zinc/64/59/32/938645932.db2.gz	TVHFBIHJIHJOLX-MOPGFXCFSA-N	1	0	368.485	1.722	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnc(C)nc2C)C[C@@H]1n1ccnn1	ZINC001130047060	938646017	/nfs/dbraw/zinc/64/60/17/938646017.db2.gz	UJZQKGRJDIEMQR-XWIAVFTESA-N	1	0	369.473	1.695	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2coc3ccccc23)C[C@@H]1n1ccnn1	ZINC001130057206	938647747	/nfs/dbraw/zinc/64/77/47/938647747.db2.gz	OHWRUMIXVLHMPE-MSOLQXFVSA-N	1	0	363.421	1.632	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2nc(C3CC3)oc2C)C[C@@H]1n1ccnn1	ZINC001130062535	938650719	/nfs/dbraw/zinc/65/07/19/938650719.db2.gz	JYXOWHWDOYXVNJ-CABCVRRESA-N	1	0	354.414	1.131	20	30		FDEDRO
C#C[C@@H](NC(=O)NC[C@H]1C[N@@H+](C)CCN1C)c1ccc(Cl)cc1F	ZINC000805102618	938661857	/nfs/dbraw/zinc/66/18/57/938661857.db2.gz	PCSSFCQCEOIYMT-XJKSGUPXSA-N	1	0	352.841	1.698	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ncccc2OCC=C)C[C@@H]1n1ccnn1	ZINC001130083894	938665265	/nfs/dbraw/zinc/66/52/65/938665265.db2.gz	OXSGHMFHUFWNIC-CVEARBPZSA-N	1	0	368.441	1.469	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)nn(CCC)c2C)C[C@@H]1n1ccnn1	ZINC001130077439	938670771	/nfs/dbraw/zinc/67/07/71/938670771.db2.gz	ITWOUZIUWOVHQJ-SJORKVTESA-N	1	0	369.473	1.180	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(C)[nH]nc2C(C)C)C[C@@H]1n1ccnn1	ZINC001130079592	938672767	/nfs/dbraw/zinc/67/27/67/938672767.db2.gz	RQTSPTPDFUOQJX-CABCVRRESA-N	1	0	357.462	1.664	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cccnc2)C[C@@H]1n1ccnn1	ZINC001130088781	938675229	/nfs/dbraw/zinc/67/52/29/938675229.db2.gz	INRVQEFQOMSVFN-NXHRZFHOSA-N	1	0	370.457	1.021	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+][C@H](C)CCC=C)[C@@H](n3ccnn3)C2)cn1	ZINC001130091152	938676374	/nfs/dbraw/zinc/67/63/74/938676374.db2.gz	CRHNXBHMVQPACK-LZQZEXGQSA-N	1	0	364.453	1.664	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]c3ccccc23)C[C@@H]1n1ccnn1	ZINC001130099956	938682472	/nfs/dbraw/zinc/68/24/72/938682472.db2.gz	SCPHQYXMWLRUFF-MOPGFXCFSA-N	1	0	364.453	1.920	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)cc2)C[C@@H]1n1ccnn1	ZINC001130102218	938684241	/nfs/dbraw/zinc/68/42/41/938684241.db2.gz	NNMYTOMBUUKZHH-MSOLQXFVSA-N	1	0	352.442	1.023	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ncccc2OC(C)C)C[C@@H]1n1ccnn1	ZINC001130110178	938689290	/nfs/dbraw/zinc/68/92/90/938689290.db2.gz	YLUXIGFIIASASS-CVEARBPZSA-N	1	0	370.457	1.692	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COc2c(C)cccc2C)C[C@@H]1n1ccnn1	ZINC001130114842	938693964	/nfs/dbraw/zinc/69/39/64/938693964.db2.gz	GGWFAFXCGHRTFI-MSOLQXFVSA-N	1	0	369.469	1.892	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)COc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130125259	938695915	/nfs/dbraw/zinc/69/59/15/938695915.db2.gz	FANWMALINCWXDA-QRQLOZEOSA-N	1	0	367.453	1.358	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2C(C)C)C[C@@H]1n1ccnn1	ZINC001130128072	938697998	/nfs/dbraw/zinc/69/79/98/938697998.db2.gz	ZEBSQKAOJBDUMA-SJORKVTESA-N	1	0	371.489	1.757	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH]nc3C2)C[C@@H]1n1ccnn1	ZINC001130129554	938698955	/nfs/dbraw/zinc/69/89/55/938698955.db2.gz	NMLQLZRSAHIPDU-OLMNPRSZSA-N	1	0	369.473	1.114	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCOc2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001130118225	938701454	/nfs/dbraw/zinc/70/14/54/938701454.db2.gz	AZEBIEDPVYTAJG-MOPGFXCFSA-N	1	0	369.469	1.973	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COc2ccc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001130120989	938703586	/nfs/dbraw/zinc/70/35/86/938703586.db2.gz	HZZVUKLUELEDHR-MSOLQXFVSA-N	1	0	369.469	1.892	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COc2cc(C)cc(C)c2)C[C@@H]1n1ccnn1	ZINC001130121392	938704001	/nfs/dbraw/zinc/70/40/01/938704001.db2.gz	NTKMNUHZAJJMAE-MOPGFXCFSA-N	1	0	367.453	1.339	20	30		FDEDRO
C=C[C@@H](CC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1)c1ccccc1	ZINC001130134167	938708953	/nfs/dbraw/zinc/70/89/53/938708953.db2.gz	VVSJSLZWVHJNES-UHOSZYNNSA-N	1	0	369.469	1.362	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCn2cc(C)cn2)C[C@@H]1n1ccnn1	ZINC001130139828	938711743	/nfs/dbraw/zinc/71/17/43/938711743.db2.gz	IVBAYXVLDJIXIB-SJORKVTESA-N	1	0	357.462	1.181	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2csc(C3CC3)n2)C[C@@H]1n1ccnn1	ZINC001130153405	938717197	/nfs/dbraw/zinc/71/71/97/938717197.db2.gz	PBBWAXWFIKLKCY-HIFRSBDPSA-N	1	0	356.455	1.291	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2(C(F)(F)F)CCCC2)C[C@@H]1n1ccnn1	ZINC001130155499	938718581	/nfs/dbraw/zinc/71/85/81/938718581.db2.gz	KDLGSENRZJKHOZ-KGLIPLIRSA-N	1	0	369.391	1.766	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)CC)cc2)C[C@@H]1n1ccnn1	ZINC001130155648	938718794	/nfs/dbraw/zinc/71/87/94/938718794.db2.gz	UOQMJNDIRXNYIG-MOPGFXCFSA-N	1	0	366.469	1.413	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2sccc2C)[nH]1	ZINC001130177729	938725381	/nfs/dbraw/zinc/72/53/81/938725381.db2.gz	RFNQIFTWXNAQGX-STQMWFEESA-N	1	0	361.471	1.753	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=C(C)C)[nH]1	ZINC001130181938	938729186	/nfs/dbraw/zinc/72/91/86/938729186.db2.gz	YQDNBAWJMOLOHN-GJZGRUSLSA-N	1	0	363.462	1.052	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)OCC)[nH]1	ZINC001130188038	938734519	/nfs/dbraw/zinc/73/45/19/938734519.db2.gz	WGIGJYGNIUAXRC-KKUMJFAQSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC(F)(F)F)[nH]1	ZINC001130190903	938736006	/nfs/dbraw/zinc/73/60/06/938736006.db2.gz	SNNLZXHZVWPCKJ-QWRGUYRKSA-N	1	0	361.368	1.412	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)COC(C)C)[nH]1	ZINC001130190878	938736267	/nfs/dbraw/zinc/73/62/67/938736267.db2.gz	ROIYODBFKSDSAF-GJZGRUSLSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2=COCCC2)[nH]1	ZINC001130193182	938737808	/nfs/dbraw/zinc/73/78/08/938737808.db2.gz	LSYXETPBNNEDRW-GJZGRUSLSA-N	1	0	361.446	1.153	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H]2CCCCO2)[nH]1	ZINC001130198270	938740227	/nfs/dbraw/zinc/74/02/27/938740227.db2.gz	DEDNDENHCHJNJW-KKUMJFAQSA-N	1	0	363.462	1.028	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccc(C)n2)[nH]1	ZINC001130185148	938744494	/nfs/dbraw/zinc/74/44/94/938744494.db2.gz	YOAKVMSHQZNZMU-HOCLYGCPSA-N	1	0	370.457	1.476	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C#CC(C)(C)C)[nH]1	ZINC001130207504	938746775	/nfs/dbraw/zinc/74/67/75/938746775.db2.gz	DKEJHEYBIVTSJE-GJZGRUSLSA-N	1	0	359.474	1.509	20	30		FDEDRO
C#CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCC(=C)C)[nH]1	ZINC001130209457	938747633	/nfs/dbraw/zinc/74/76/33/938747633.db2.gz	BAFXBTGPEGVRQK-HOTGVXAUSA-N	1	0	359.474	1.653	20	30		FDEDRO
CC[C@@H](C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C#CC(C)C)[nH]1	ZINC001130209595	938747650	/nfs/dbraw/zinc/74/76/50/938747650.db2.gz	GUCZPYPRBAQXBG-PMPSAXMXSA-N	1	0	361.490	1.589	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccoc2Cl)[nH]1	ZINC001130209712	938747678	/nfs/dbraw/zinc/74/76/78/938747678.db2.gz	LLIRYDMLMOIUEV-JQWIXIFHSA-N	1	0	365.821	1.629	20	30		FDEDRO
C#CCC1(C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CC(=C)C)[nH]2)CCC1	ZINC001130215660	938752045	/nfs/dbraw/zinc/75/20/45/938752045.db2.gz	ASCIAWXMYHXVOM-HOTGVXAUSA-N	1	0	371.485	1.653	20	30		FDEDRO
C=CC(C)(C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCOC)[nH]1	ZINC001130215806	938752294	/nfs/dbraw/zinc/75/22/94/938752294.db2.gz	HJOPYMUTQOSKRD-KBPBESRZSA-N	1	0	365.478	1.132	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H](C)SC)[nH]1	ZINC001130200176	938753862	/nfs/dbraw/zinc/75/38/62/938753862.db2.gz	CFWOIFZYFBJZDJ-RDBSUJKOSA-N	1	0	365.503	1.048	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCCCO2)[nH]1	ZINC001130200849	938754495	/nfs/dbraw/zinc/75/44/95/938754495.db2.gz	YGXOISFPJAVASD-KKUMJFAQSA-N	1	0	363.462	1.028	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H]2C[C@H]2C2CC2)[nH]1	ZINC001130222752	938757135	/nfs/dbraw/zinc/75/71/35/938757135.db2.gz	DCCMYJVOJVXGFQ-QAETUUGQSA-N	1	0	373.501	1.895	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(F)c[nH]2)[nH]1	ZINC001130225094	938759290	/nfs/dbraw/zinc/75/92/90/938759290.db2.gz	RZDQUBCURYOZDT-JSGCOSHPSA-N	1	0	362.409	1.240	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCCC2(C)C)n1	ZINC001130227710	938761662	/nfs/dbraw/zinc/76/16/62/938761662.db2.gz	LDVGJXZFYPXEOO-KKUMJFAQSA-N	1	0	359.474	1.343	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCC#CC)[nH]1	ZINC001130229741	938763350	/nfs/dbraw/zinc/76/33/50/938763350.db2.gz	CRCLJAXJSCERFE-HOTGVXAUSA-N	1	0	359.474	1.653	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C(C)C)CC2)[nH]1	ZINC001130235134	938766494	/nfs/dbraw/zinc/76/64/94/938766494.db2.gz	UWQRCDQUEBBHKZ-GJZGRUSLSA-N	1	0	361.490	1.895	20	30		FDEDRO
C=CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C/C=C/Cl)[nH]1	ZINC001130237926	938767303	/nfs/dbraw/zinc/76/73/03/938767303.db2.gz	KCQMDKKASLWMJY-NSDHSQQOSA-N	1	0	367.881	1.992	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)C(C)(F)F)[nH]1	ZINC001130238060	938767532	/nfs/dbraw/zinc/76/75/32/938767532.db2.gz	RAXYWGIXLRUBTB-WOPDTQHZSA-N	1	0	357.405	1.360	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)c2ccc(C)o2)n1	ZINC001130242460	938769978	/nfs/dbraw/zinc/76/99/78/938769978.db2.gz	YEFQRVYEHQTYAF-YCPHGPKFSA-N	1	0	371.441	1.221	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccoc2CCC)n1	ZINC001130246641	938771745	/nfs/dbraw/zinc/77/17/45/938771745.db2.gz	LFFRRFMXADNUCU-BBRMVZONSA-N	1	0	371.441	1.376	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2ccco2)[nH]1	ZINC001130246657	938771807	/nfs/dbraw/zinc/77/18/07/938771807.db2.gz	LNYZRYNJLQYGSX-GJZGRUSLSA-N	1	0	359.430	1.295	20	30		FDEDRO
C=C[C@@H](C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC)[nH]1)c1ccccc1	ZINC001130251323	938774415	/nfs/dbraw/zinc/77/44/15/938774415.db2.gz	NJTIAPAKDOGNMK-IKGGRYGDSA-N	1	0	369.469	1.873	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H](C)C2CC2)n1	ZINC001130251300	938774680	/nfs/dbraw/zinc/77/46/80/938774680.db2.gz	MAYRWQCNSMFCIJ-BPUTZDHNSA-N	1	0	359.474	1.343	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)SC)CC1	ZINC001130274410	938786561	/nfs/dbraw/zinc/78/65/61/938786561.db2.gz	MRUKRZHNENSSEX-LXZKKBNFSA-N	1	0	353.532	1.789	20	30		FDEDRO
C=C(C)CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COCCC)CC1	ZINC001130276794	938787782	/nfs/dbraw/zinc/78/77/82/938787782.db2.gz	PYBCDJAAOICFGG-XLIONFOSSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](CC)OCC)CC1	ZINC001130279177	938789278	/nfs/dbraw/zinc/78/92/78/938789278.db2.gz	VFPXCWUOAGITDY-AOIWGVFYSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C(C)C)CC1	ZINC001130278985	938789376	/nfs/dbraw/zinc/78/93/76/938789376.db2.gz	OEAAXQIJAHRBAI-SUMDDJOVSA-N	1	0	365.518	1.851	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC=C)CC1	ZINC001130279280	938789538	/nfs/dbraw/zinc/78/95/38/938789538.db2.gz	ZRGKXVKXJBVJTP-SUMDDJOVSA-N	1	0	363.502	1.629	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2ccoc2)CC1	ZINC001130285951	938790721	/nfs/dbraw/zinc/79/07/21/938790721.db2.gz	QTDFZSTZIJSAIP-XLIONFOSSA-N	1	0	359.470	1.874	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)/C=C\c2ccc[nH]2)CC1	ZINC001130286059	938790859	/nfs/dbraw/zinc/79/08/59/938790859.db2.gz	VRSSWXIDRYNLQY-GKPQXDKRSA-N	1	0	368.481	1.527	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCF)CC1	ZINC001130288444	938793377	/nfs/dbraw/zinc/79/33/77/938793377.db2.gz	PTNWEYGLCUNPFF-APWZRJJASA-N	1	0	351.466	1.625	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](CC)CC(F)F)CC1	ZINC001130290666	938795385	/nfs/dbraw/zinc/79/53/85/938795385.db2.gz	JZMRXHDRYTZLQQ-JOQOYGCGSA-N	1	0	369.456	1.776	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCC(C)(F)F)CC1	ZINC001130293458	938796991	/nfs/dbraw/zinc/79/69/91/938796991.db2.gz	VSFPLDUHXHTWFX-QAPCUYQASA-N	1	0	369.456	1.921	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCOCC)CC1	ZINC001130298706	938798740	/nfs/dbraw/zinc/79/87/40/938798740.db2.gz	CLIXEPUOYQVCQD-XLIONFOSSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC(=C)C)CC1	ZINC001130307271	938805232	/nfs/dbraw/zinc/80/52/32/938805232.db2.gz	NFSBHFZWPOQQKK-XLIONFOSSA-N	1	0	363.502	1.631	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)c1ccncc1	ZINC000805812289	938831216	/nfs/dbraw/zinc/83/12/16/938831216.db2.gz	UIMCEWRLADRLCN-SFHVURJKSA-N	1	0	374.485	1.384	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1c[nH]nc1[C@@H]1CC[N@@H+](CCOCC)C1	ZINC001130423948	938844219	/nfs/dbraw/zinc/84/42/19/938844219.db2.gz	YCQOYTWNGMYTLI-OIISXLGYSA-N	1	0	362.474	1.443	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1c1cn(C)cn1	ZINC001130493630	938872951	/nfs/dbraw/zinc/87/29/51/938872951.db2.gz	HAFOLOHCUXRYAQ-XJKSGUPXSA-N	1	0	356.430	1.080	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cccs2)C[C@H]1c1cn(C)cn1	ZINC001130483101	938877207	/nfs/dbraw/zinc/87/72/07/938877207.db2.gz	OHEWREUBXWTZIN-GOEBONIOSA-N	1	0	360.483	1.882	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1c1cn(C)cn1	ZINC001130487867	938880501	/nfs/dbraw/zinc/88/05/01/938880501.db2.gz	KIVXECIVMXLHSR-FUHWJXTLSA-N	1	0	355.442	1.218	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CNC(=O)CCC)C[C@H]1c1cn(C)cn1	ZINC001130524623	938890983	/nfs/dbraw/zinc/89/09/83/938890983.db2.gz	PPZSYFMAELREEZ-DOTOQJQBSA-N	1	0	361.490	1.187	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cncnc2C)C[C@H]1c1cn(C)cn1	ZINC001130516484	938893728	/nfs/dbraw/zinc/89/37/28/938893728.db2.gz	GZOJGGRUQAUHEE-FUHWJXTLSA-N	1	0	354.458	1.683	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC/C=C/CC)C1	ZINC001130574065	939874320	/nfs/dbraw/zinc/87/43/20/939874320.db2.gz	LURMRUJFMVMIHI-CXWTVFLASA-N	1	0	360.502	1.988	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccccc2)C1	ZINC001130574045	939874455	/nfs/dbraw/zinc/87/44/55/939874455.db2.gz	KXPYWBXOUUPOGT-DSKINZAPSA-N	1	0	368.481	1.831	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccncc2C)C[C@H]1c1cn(C)cn1	ZINC001130583704	939884068	/nfs/dbraw/zinc/88/40/68/939884068.db2.gz	MLRYJZQHFXJTAL-PKOBYXMFSA-N	1	0	369.469	1.524	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCCCF)C1	ZINC001130587726	939888610	/nfs/dbraw/zinc/88/86/10/939888610.db2.gz	YJWPMWPWKSTIEP-FUHWJXTLSA-N	1	0	364.465	1.484	20	30		FDEDRO
Cc1cc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2c2cn(C)cn2)on1	ZINC001130593359	939900247	/nfs/dbraw/zinc/90/02/47/939900247.db2.gz	XZQMVXQGBJNEIS-FUHWJXTLSA-N	1	0	369.469	1.850	20	30		FDEDRO
Cn1cnc([C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2[NH2+]CCn2cccn2)c1	ZINC001130594437	939901590	/nfs/dbraw/zinc/90/15/90/939901590.db2.gz	IEYQPBIUEODFEQ-FUHWJXTLSA-N	1	0	368.485	1.250	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CO[C@@H]2CCOC2)C[C@H]1c1cn(C)cn1	ZINC001130594372	939901649	/nfs/dbraw/zinc/90/16/49/939901649.db2.gz	FAFIYZKCROHGPM-SOLBZPMBSA-N	1	0	362.474	1.076	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)nnc2C)C[C@H]1c1cn(C)cn1	ZINC001130599172	939904607	/nfs/dbraw/zinc/90/46/07/939904607.db2.gz	LTIASHWSYRDECR-FUHWJXTLSA-N	1	0	354.458	1.601	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]C[C@@H]3CCOC3)C2)CCC1	ZINC001130610644	939908051	/nfs/dbraw/zinc/90/80/51/939908051.db2.gz	PEMMUFNELGHBNI-JENIJYKNSA-N	1	0	370.497	1.534	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2(C3CC3)CC2)C[C@H]1c1cn(C)cn1	ZINC001130611947	939909762	/nfs/dbraw/zinc/90/97/62/939909762.db2.gz	MFFUZJLCDHOWJO-FUHWJXTLSA-N	1	0	356.470	1.144	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(F)c(F)c2)C[C@H]1c1cn(C)cn1	ZINC001130608130	939920054	/nfs/dbraw/zinc/92/00/54/939920054.db2.gz	YOIPVWPTLDESLT-KBXCAEBGSA-N	1	0	358.392	1.919	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)onc2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130626922	939924596	/nfs/dbraw/zinc/92/45/96/939924596.db2.gz	UKKDFURIOXZDQN-DOTOQJQBSA-N	1	0	367.453	1.815	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C[C@H]1c1cn(C)cn1	ZINC001130628267	939927362	/nfs/dbraw/zinc/92/73/62/939927362.db2.gz	IBNMGNYZJBNPLB-HLNWXESRSA-N	1	0	370.497	1.390	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn3c2OCCC3)C[C@H]1c1cn(C)cn1	ZINC001130621921	939931530	/nfs/dbraw/zinc/93/15/30/939931530.db2.gz	GUJFEHQOQVTGLA-DOTOQJQBSA-N	1	0	370.457	1.173	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)CC(F)(F)F)C[C@H]1c1cn(C)cn1	ZINC001130632479	939935612	/nfs/dbraw/zinc/93/56/12/939935612.db2.gz	BBRBWIZNYMKCIB-VNHYZAJKSA-N	1	0	356.392	1.916	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2(C3CC3)CCOCC2)C[C@H]1c1cn(C)cn1	ZINC001130632703	939936280	/nfs/dbraw/zinc/93/62/80/939936280.db2.gz	NJFKFMTXTKSISE-PKOBYXMFSA-N	1	0	370.497	1.534	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ncccc2F)C[C@H]1c1cn(C)cn1	ZINC001130652271	939946523	/nfs/dbraw/zinc/94/65/23/939946523.db2.gz	MQIJFYOSIWYDCX-KBXCAEBGSA-N	1	0	355.417	1.104	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccnn2C)C1	ZINC001130656801	939960897	/nfs/dbraw/zinc/96/08/97/939960897.db2.gz	QRNIVVPJASQCKJ-HHXXYDBFSA-N	1	0	370.501	1.840	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cncn2C)C1	ZINC001130657044	939961234	/nfs/dbraw/zinc/96/12/34/939961234.db2.gz	WSCNXUZOQXMTHA-VDZJLULYSA-N	1	0	370.501	1.840	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(CC)cn2)C[C@H]1c1cn(C)cn1	ZINC001130678395	939968128	/nfs/dbraw/zinc/96/81/28/939968128.db2.gz	YUDSEEWUYOLBKC-AZUAARDMSA-N	1	0	365.481	1.528	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)n[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130680417	939968655	/nfs/dbraw/zinc/96/86/55/939968655.db2.gz	PLIKRPPRQJDAQK-KBXCAEBGSA-N	1	0	354.458	1.488	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@]23C[C@@H]2CCCC3)C[C@H]1c1cn(C)cn1	ZINC001130672307	939971432	/nfs/dbraw/zinc/97/14/32/939971432.db2.gz	MDTWTYUIDHXRQP-NEOGFGCTSA-N	1	0	370.497	1.534	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2CC3(CC3)C2)C[C@H]1c1cn(C)cn1	ZINC001130672479	939971575	/nfs/dbraw/zinc/97/15/75/939971575.db2.gz	QEJYEAUBOCWLKZ-FUHWJXTLSA-N	1	0	356.470	1.144	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cc(C)[nH]c2C)C[C@H]1c1cn(C)cn1	ZINC001130685011	939974563	/nfs/dbraw/zinc/97/45/63/939974563.db2.gz	AEDOUNKPVUPATD-PKOBYXMFSA-N	1	0	371.485	1.765	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc3cccnn32)C[C@H]1c1cn(C)cn1	ZINC001130687621	939977478	/nfs/dbraw/zinc/97/74/78/939977478.db2.gz	JARFIYGTXYIBNU-FUHWJXTLSA-N	1	0	362.437	1.289	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)nc2OC)C[C@H]1c1cn(C)cn1	ZINC001130687823	939977915	/nfs/dbraw/zinc/97/79/15/939977915.db2.gz	SFCZQNLTKAREBT-FUHWJXTLSA-N	1	0	367.453	1.353	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cnn(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130704544	939985476	/nfs/dbraw/zinc/98/54/76/939985476.db2.gz	SPVZWTHQMMWQNQ-FUHWJXTLSA-N	1	0	370.501	1.592	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)nn2)C[C@H]1c1cn(C)cn1	ZINC001130706344	939987969	/nfs/dbraw/zinc/98/79/69/939987969.db2.gz	AHQIVESQVKMWSP-WMLDXEAASA-N	1	0	370.457	1.383	20	30		FDEDRO
CC[C@H](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#CCOC)C1	ZINC001130700798	939995983	/nfs/dbraw/zinc/99/59/83/939995983.db2.gz	FOTXZBPTSULAPR-JENIJYKNSA-N	1	0	360.502	1.780	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCCCC(N)=O)C[C@H]1c1cn(C)cn1	ZINC001130710127	939997988	/nfs/dbraw/zinc/99/79/88/939997988.db2.gz	NYGNZKMGWGDCPS-DOTOQJQBSA-N	1	0	361.490	1.316	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](NC(C)=O)C(C)C)C[C@H]1c1cn(C)cn1	ZINC001130717128	940012167	/nfs/dbraw/zinc/01/21/67/940012167.db2.gz	BLUFIXFOZPHJQF-CGTJXYLNSA-N	1	0	361.490	1.041	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@H](OC)C(F)(F)F)C[C@H]1c1cn(C)cn1	ZINC001130708509	940014347	/nfs/dbraw/zinc/01/43/47/940014347.db2.gz	VDBKESQJBPVTBZ-YUTCNCBUSA-N	1	0	360.380	1.458	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCCn2cccn2)C[C@H]1c1cn(C)cn1	ZINC001130729054	940017837	/nfs/dbraw/zinc/01/78/37/940017837.db2.gz	SJPBNCOOOPXHJZ-FUHWJXTLSA-N	1	0	356.474	1.557	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCc2ccccn2)C[C@H]1c1cn(C)cn1	ZINC001130719486	940023351	/nfs/dbraw/zinc/02/33/51/940023351.db2.gz	UEVDXWQMKJVRMR-PKOBYXMFSA-N	1	0	351.454	1.355	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)nsc2C)C[C@H]1c1cn(C)cn1	ZINC001130734459	940034825	/nfs/dbraw/zinc/03/48/25/940034825.db2.gz	QMEUSPPEZJGEEE-GOEBONIOSA-N	1	0	357.483	1.715	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(CC)n(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130741606	940036569	/nfs/dbraw/zinc/03/65/69/940036569.db2.gz	KZDJPUYNCKYONE-QFBILLFUSA-N	1	0	370.501	1.880	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)C(N)=O)C[C@H]1c1cn(C)cn1	ZINC001130739344	940040545	/nfs/dbraw/zinc/04/05/45/940040545.db2.gz	BTLVOPKMYDWHFS-HLLBOEOZSA-N	1	0	361.490	1.028	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@@H](F)CC)C1	ZINC001130739674	940040973	/nfs/dbraw/zinc/04/09/73/940040973.db2.gz	JNNFIKMROQBCEW-YQQAZPJKSA-N	1	0	352.454	1.645	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)C[C@H]1c1cn(C)cn1	ZINC001130739682	940041468	/nfs/dbraw/zinc/04/14/68/940041468.db2.gz	JTCBQWAMBUWJCJ-USXIJHARSA-N	1	0	361.490	1.041	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCOCC)C1	ZINC001130741886	940046304	/nfs/dbraw/zinc/04/63/04/940046304.db2.gz	URRRLXCDRPBGDO-XYJFISCASA-N	1	0	364.490	1.322	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccccc3F)n2)O1	ZINC001130747596	940053092	/nfs/dbraw/zinc/05/30/92/940053092.db2.gz	ZIXXDVFJQICMMI-XJKSGUPXSA-N	1	0	371.416	1.707	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cnn(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130749395	940055850	/nfs/dbraw/zinc/05/58/50/940055850.db2.gz	GNIDUIAGJRILJS-HHXXYDBFSA-N	1	0	370.501	1.808	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cnn(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130749539	940056500	/nfs/dbraw/zinc/05/65/00/940056500.db2.gz	KFCIIIYOLCJHFA-UWWQBHOKSA-N	1	0	356.474	1.417	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3CCOCC3)n2)O1	ZINC001130754587	940065162	/nfs/dbraw/zinc/06/51/62/940065162.db2.gz	IIDOXQFORHCKPY-LSDHHAIUSA-N	1	0	363.462	1.233	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccn[nH]3)n2)O1	ZINC001130761988	940068217	/nfs/dbraw/zinc/06/82/17/940068217.db2.gz	KLRGOJJARGARHR-GXTWGEPZSA-N	1	0	359.434	1.234	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C(C)C)O2)n[nH]1	ZINC001130762411	940071128	/nfs/dbraw/zinc/07/11/28/940071128.db2.gz	VCMBUZRSXOXYGS-QLFBSQMISA-N	1	0	365.478	1.620	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C=C3CCCCC3)n2)O1	ZINC001130765508	940096106	/nfs/dbraw/zinc/09/61/06/940096106.db2.gz	VWIYMALLSZYNKU-JKSUJKDBSA-N	1	0	357.458	1.754	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)OCC)n2)O1	ZINC001130767986	940102893	/nfs/dbraw/zinc/10/28/93/940102893.db2.gz	XIPLAZKOIZOQTE-MELADBBJSA-N	1	0	351.451	1.232	20	30		FDEDRO
C=CCOCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC3CCC3)O2)n[nH]1	ZINC001130767959	940103069	/nfs/dbraw/zinc/10/30/69/940103069.db2.gz	WJSPRTNGYZLYJA-LSDHHAIUSA-N	1	0	363.462	1.233	20	30		FDEDRO
CC/C=C/CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)C#N)n2)O1	ZINC001130769263	940105595	/nfs/dbraw/zinc/10/55/95/940105595.db2.gz	AIQCKLSSJHPOTI-BYOPPYECSA-N	1	0	360.462	1.747	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCc3ccoc3)n2)O1	ZINC001130772623	940113576	/nfs/dbraw/zinc/11/35/76/940113576.db2.gz	UUCCFSZHXZRYAS-LSDHHAIUSA-N	1	0	359.430	1.642	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(C(F)F)CC3)n2)O1	ZINC001130785232	940119437	/nfs/dbraw/zinc/11/94/37/940119437.db2.gz	GYCAFGDUTSYZIH-NWDGAFQWSA-N	1	0	369.416	1.852	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(F)cn3)n2)O1	ZINC001130778450	940132123	/nfs/dbraw/zinc/13/21/23/940132123.db2.gz	YORANPCQDTWIRC-GXTWGEPZSA-N	1	0	360.393	1.265	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ncc[nH]3)n2)O1	ZINC001130780781	940134962	/nfs/dbraw/zinc/13/49/62/940134962.db2.gz	CCXQBVNMVPGLPO-WDEREUQCSA-N	1	0	365.825	1.020	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C#CC(C)(C)C)n2)O1	ZINC001130781220	940136983	/nfs/dbraw/zinc/13/69/83/940136983.db2.gz	UJYCSBFXEKFPMY-LSDHHAIUSA-N	1	0	359.474	1.856	20	30		FDEDRO
C#CCCCNC(=O)C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1	ZINC000806911246	940138783	/nfs/dbraw/zinc/13/87/83/940138783.db2.gz	AIHWKANWOOBWKW-UHFFFAOYSA-N	1	0	356.470	1.077	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1	ZINC001130796118	940149844	/nfs/dbraw/zinc/14/98/44/940149844.db2.gz	ISNAYFYYENRZFA-HZSPNIEDSA-N	1	0	353.442	1.802	20	30		FDEDRO
C=C[C@H](CC)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCOC)O2)n[nH]1	ZINC001130796583	940153090	/nfs/dbraw/zinc/15/30/90/940153090.db2.gz	ZAOGPLMZZSIZCL-QLFBSQMISA-N	1	0	365.478	1.479	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C)nc(C)c3)n2)O1	ZINC001130787305	940156285	/nfs/dbraw/zinc/15/62/85/940156285.db2.gz	KEKXBVFDPBADMU-JKSUJKDBSA-N	1	0	370.457	1.742	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(COCC)CC3)n2)O1	ZINC001130790201	940163142	/nfs/dbraw/zinc/16/31/42/940163142.db2.gz	MQMXKTJJADRKTL-UONOGXRCSA-N	1	0	363.462	1.233	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(C)c(F)c3)n2)O1	ZINC001130792478	940171113	/nfs/dbraw/zinc/17/11/13/940171113.db2.gz	GMFGUUYUBOFNEC-GOEBONIOSA-N	1	0	371.416	1.625	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC[C@@H](C)O3)n2)O1	ZINC001130807149	940181233	/nfs/dbraw/zinc/18/12/33/940181233.db2.gz	QTSCIEQRMLOONP-LXTVHRRPSA-N	1	0	363.462	1.374	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(C)(C)C(F)F)n2)O1	ZINC001130809158	940186528	/nfs/dbraw/zinc/18/65/28/940186528.db2.gz	KDGPRIUXZAWQOL-WDEREUQCSA-N	1	0	355.389	1.155	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cocc3C)n2)O1	ZINC001130799676	940193722	/nfs/dbraw/zinc/19/37/22/940193722.db2.gz	RMNXRQAMYOPYEY-DZGCQCFKSA-N	1	0	357.414	1.469	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCCF)n2)O1	ZINC001130799820	940195420	/nfs/dbraw/zinc/19/54/20/940195420.db2.gz	ZRJOBPQWYAGFIU-UONOGXRCSA-N	1	0	369.441	1.183	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCC)O2)n[nH]1	ZINC001130823790	940203968	/nfs/dbraw/zinc/20/39/68/940203968.db2.gz	XDGROJKTLOKHCY-MELADBBJSA-N	1	0	351.451	1.232	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3C[C@H]3C3CC3)n2)O1	ZINC001130811848	940205620	/nfs/dbraw/zinc/20/56/20/940205620.db2.gz	NNALEOZVOZZIKJ-CAOSSQGBSA-N	1	0	359.474	1.853	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3ccco3)n2)O1	ZINC001130813834	940213468	/nfs/dbraw/zinc/21/34/68/940213468.db2.gz	ZFQCRWKLFNRGBC-LSDHHAIUSA-N	1	0	357.414	1.090	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(C3CC3)C3CC3)n2)O1	ZINC001130816108	940217240	/nfs/dbraw/zinc/21/72/40/940217240.db2.gz	LEJCXWNTHWASSF-LSDHHAIUSA-N	1	0	359.474	1.853	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)c3cccnc3)n2)O1	ZINC001130816161	940218308	/nfs/dbraw/zinc/21/83/08/940218308.db2.gz	MYWQDAKCOIBHGS-CWRNSKLLSA-N	1	0	368.441	1.063	20	30		FDEDRO
C#Cc1ccc(C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCC)O3)n[nH]2)cn1	ZINC001130817588	940223009	/nfs/dbraw/zinc/22/30/09/940223009.db2.gz	UXCQAMHKWYWJSZ-JKSUJKDBSA-N	1	0	368.441	1.331	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3[nH]cnc3C)n2)O1	ZINC001130819873	940226951	/nfs/dbraw/zinc/22/69/51/940226951.db2.gz	IOZCAIGJOLXGBA-QWHCGFSZSA-N	1	0	359.434	1.152	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1	ZINC000807354111	940318921	/nfs/dbraw/zinc/31/89/21/940318921.db2.gz	FUUOCDHNWLURBO-NVXWUHKLSA-N	1	0	355.438	1.722	20	30		FDEDRO
C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1	ZINC000807336492	940324712	/nfs/dbraw/zinc/32/47/12/940324712.db2.gz	DLBPGCTUVNVPNU-KRWDZBQOSA-N	1	0	373.416	1.957	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOCC)C1	ZINC001130929035	940337877	/nfs/dbraw/zinc/33/78/77/940337877.db2.gz	KOVGHAGTNJGISC-GVDBMIGSSA-N	1	0	364.490	1.322	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1c1cncn1C	ZINC001130961826	940367641	/nfs/dbraw/zinc/36/76/41/940367641.db2.gz	SMIUUGYSNXUXBD-NVXWUHKLSA-N	1	0	368.441	1.020	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cc[nH]c2C)C[C@H]1c1cncn1C	ZINC001130953446	940373602	/nfs/dbraw/zinc/37/36/02/940373602.db2.gz	CDCJBVSDZCERKQ-IAGOWNOFSA-N	1	0	357.458	1.457	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2nnn(C)c2C)C[C@H]1c1cncn1C	ZINC001130954019	940374171	/nfs/dbraw/zinc/37/41/71/940374171.db2.gz	PREIGABJNWMJOO-HUUCEWRRSA-N	1	0	357.462	1.021	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1c1cncn1C	ZINC001130969242	940377293	/nfs/dbraw/zinc/37/72/93/940377293.db2.gz	WDWXYGBVAGITRH-GVDBMIGSSA-N	1	0	371.489	1.341	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC2CCOCC2)C1	ZINC001130971720	940381142	/nfs/dbraw/zinc/38/11/42/940381142.db2.gz	ZGHBGXKYSKSMJW-QZTJIDSGSA-N	1	0	358.486	1.534	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1c1cncn1C	ZINC001130975637	940403642	/nfs/dbraw/zinc/40/36/42/940403642.db2.gz	JACJQTJAPSRPBU-RBSFLKMASA-N	1	0	357.462	1.101	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnn(CC)n2)C[C@H]1c1cncn1C	ZINC001130978075	940409469	/nfs/dbraw/zinc/40/94/69/940409469.db2.gz	POVFOICUBOGWGK-ZMSDIMECSA-N	1	0	371.489	1.584	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2(c3ccccn3)CC2)C[C@H]1c1cncn1C	ZINC001130991367	940413978	/nfs/dbraw/zinc/41/39/78/940413978.db2.gz	GDBQNUINOFMDLL-IAGOWNOFSA-N	1	0	363.465	1.454	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(CC(C)C)n2)C[C@H]1c1cncn1C	ZINC001130991666	940414400	/nfs/dbraw/zinc/41/44/00/940414400.db2.gz	WSGDXTAUUYMPDA-NVXWUHKLSA-N	1	0	368.485	1.563	20	30		FDEDRO
Cn1cc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2c2cncn2C)cn1	ZINC001130986178	940423941	/nfs/dbraw/zinc/42/39/41/940423941.db2.gz	ZNCFUOSSFHSAJO-IAGOWNOFSA-N	1	0	368.485	1.287	20	30		FDEDRO
Cn1cncc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1c1cncn1C	ZINC001130986133	940423949	/nfs/dbraw/zinc/42/39/49/940423949.db2.gz	YNALMFSAYPXDPQ-IAGOWNOFSA-N	1	0	368.485	1.287	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2C=CC=CC=C2)C[C@H]1c1cncn1C	ZINC001131001945	940428526	/nfs/dbraw/zinc/42/85/26/940428526.db2.gz	ROHGHKXJLLXLNT-RTBURBONSA-N	1	0	366.465	1.252	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2cnn(C)c2C)C[C@H]1c1cncn1C	ZINC001131006301	940433140	/nfs/dbraw/zinc/43/31/40/940433140.db2.gz	XFVKGQSOGSTRDB-QZTJIDSGSA-N	1	0	370.501	1.555	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(CC)ccn2)C[C@H]1c1cncn1C	ZINC001130999039	940435749	/nfs/dbraw/zinc/43/57/49/940435749.db2.gz	HZCCVRNWVQWSND-SJLPKXTDSA-N	1	0	351.454	1.599	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3ccnc3C2)C[C@H]1c1cncn1C	ZINC001131017603	940438277	/nfs/dbraw/zinc/43/82/77/940438277.db2.gz	CJSUYNSESVNEMJ-BRWVUGGUSA-N	1	0	368.485	1.339	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2C=CCCC2)C[C@H]1c1cncn1C	ZINC001131014760	940448215	/nfs/dbraw/zinc/44/82/15/940448215.db2.gz	GWYSSWUCUVFZPE-GUDVDZBRSA-N	1	0	370.497	1.700	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@H]1c1cncn1C	ZINC001131015499	940448890	/nfs/dbraw/zinc/44/88/90/940448890.db2.gz	YRLFRTANLSABAN-KCYZZUKISA-N	1	0	354.458	1.407	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCCO3)C[C@H]1c1cncn1C	ZINC001131029033	940464003	/nfs/dbraw/zinc/46/40/03/940464003.db2.gz	XJRFQBNOZUKVIA-GDBMZVCRSA-N	1	0	370.457	1.173	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1c1cncn1C	ZINC001131035593	940464906	/nfs/dbraw/zinc/46/49/06/940464906.db2.gz	INHJXWMMZVEBQS-HZPDHXFCSA-N	1	0	356.474	1.247	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2csnn2)C[C@H]1c1cncn1C	ZINC001131038202	940466106	/nfs/dbraw/zinc/46/61/06/940466106.db2.gz	FFPCHAOOFGEPGT-MGPQQGTHSA-N	1	0	360.487	1.824	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)COCC(F)F)C[C@H]1c1cncn1C	ZINC001131038251	940466125	/nfs/dbraw/zinc/46/61/25/940466125.db2.gz	HSYUGZYGQNTJFA-RBSFLKMASA-N	1	0	370.444	1.941	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)COCC(F)F)C[C@H]1c1cncn1C	ZINC001131038413	940466517	/nfs/dbraw/zinc/46/65/17/940466517.db2.gz	QKWKVVDCDPICMV-ZIAGYGMSSA-N	1	0	356.417	1.552	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cocc2C)C[C@H]1c1cncn1C	ZINC001131044132	940472997	/nfs/dbraw/zinc/47/29/97/940472997.db2.gz	PSDJPDMUEQUGCW-NVXWUHKLSA-N	1	0	356.426	1.169	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C(C)(C)C2CC2)C[C@H]1c1cncn1C	ZINC001131051852	940480272	/nfs/dbraw/zinc/48/02/72/940480272.db2.gz	WZBGBRNMARUDNA-IAGOWNOFSA-N	1	0	360.502	1.943	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cncnc2)C[C@H]1c1cncn1C	ZINC001131053808	940480694	/nfs/dbraw/zinc/48/06/94/940480694.db2.gz	BHCWVIMHVLXNLU-CGTJXYLNSA-N	1	0	368.485	1.864	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCC[C@H](C)O)C2)C1	ZINC001131067251	940482547	/nfs/dbraw/zinc/48/25/47/940482547.db2.gz	VQSDIWKZIXUWPM-GVDBMIGSSA-N	1	0	360.502	1.821	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2nnn(CC)c2CC)C[C@H]1c1cncn1C	ZINC001131070196	940484326	/nfs/dbraw/zinc/48/43/26/940484326.db2.gz	KDPGPCYEQALFFI-HUUCEWRRSA-N	1	0	371.489	1.368	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2nccc3[nH]ccc32)C[C@H]1c1cncn1C	ZINC001131071888	940484954	/nfs/dbraw/zinc/48/49/54/940484954.db2.gz	BEAIAGSUUPVNRG-NVXWUHKLSA-N	1	0	362.437	1.518	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cccc(=O)n2C)C[C@H]1c1cncn1C	ZINC001131072350	940485269	/nfs/dbraw/zinc/48/52/69/940485269.db2.gz	UMTBGXITQAUNSO-HZPDHXFCSA-N	1	0	369.469	1.283	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2nccnc2C)C1	ZINC001131064222	940486468	/nfs/dbraw/zinc/48/64/68/940486468.db2.gz	CCUDWPNKAKCBMK-SJLPKXTDSA-N	1	0	368.485	1.959	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2ccnc2)C[C@H]1c1cncn1C	ZINC001131079873	940487353	/nfs/dbraw/zinc/48/73/53/940487353.db2.gz	YVPDYJMOAQAXRH-BRWVUGGUSA-N	1	0	356.474	1.728	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@@H](C)C(=O)NC)C1	ZINC001131082618	940488218	/nfs/dbraw/zinc/48/82/18/940488218.db2.gz	TZVBGLBVHFYDBR-RRFJBIMHSA-N	1	0	361.490	1.041	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccnc(C3CC3)n2)C[C@H]1c1cncn1C	ZINC001131084330	940489282	/nfs/dbraw/zinc/48/92/82/940489282.db2.gz	RGZGARUNOYBBMU-NVXWUHKLSA-N	1	0	366.469	1.861	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@H]1c1cncn1C	ZINC001131076188	940491148	/nfs/dbraw/zinc/49/11/48/940491148.db2.gz	IBJSESLGUDGZNI-QBPKDAKJSA-N	1	0	368.485	1.417	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)[nH]c2=O)C[C@H]1c1cncn1C	ZINC001131079532	940492284	/nfs/dbraw/zinc/49/22/84/940492284.db2.gz	NVBFGHNVUPOAAW-HZPDHXFCSA-N	1	0	353.426	1.050	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cncc(Cl)c2)C[C@H]1c1cncn1C	ZINC001131091702	940495819	/nfs/dbraw/zinc/49/58/19/940495819.db2.gz	PQNMWFNCWGQIAI-HZPDHXFCSA-N	1	0	357.845	1.690	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCCOC2)C[C@H]1c1cncn1C	ZINC001131096705	940497318	/nfs/dbraw/zinc/49/73/18/940497318.db2.gz	LUGGESBTAOGMST-KZNAEPCWSA-N	1	0	358.486	1.534	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc(OC)n2)C[C@H]1c1cncn1C	ZINC001131099559	940498062	/nfs/dbraw/zinc/49/80/62/940498062.db2.gz	SDRCMAHYZSBDRL-GDBMZVCRSA-N	1	0	353.426	1.045	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](OC)c2ccccc2)C[C@H]1c1cncn1C	ZINC001131110786	940498414	/nfs/dbraw/zinc/49/84/14/940498414.db2.gz	ZQJPWKZURZHEEU-QWFCFKBJSA-N	1	0	366.465	1.715	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCn2nc(C)nc2C)C[C@H]1c1cncn1C	ZINC001131105903	940501748	/nfs/dbraw/zinc/50/17/48/940501748.db2.gz	KFHVDEQCNDKNAU-IAGOWNOFSA-N	1	0	371.489	1.179	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ncoc2C(C)(C)C)C[C@H]1c1cncn1C	ZINC001131106472	940502101	/nfs/dbraw/zinc/50/21/01/940502101.db2.gz	WQTUTJNARSOADX-HUUCEWRRSA-N	1	0	369.469	1.927	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cn(C(C)C)nc2C)C[C@H]1c1cncn1C	ZINC001131108041	940502480	/nfs/dbraw/zinc/50/24/80/940502480.db2.gz	HDPTXHWIOCROHU-QZTJIDSGSA-N	1	0	368.485	1.727	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2cncn2C)C[C@H]1c1cncn1C	ZINC001131117650	940504434	/nfs/dbraw/zinc/50/44/34/940504434.db2.gz	JJJIWKALVWMTTH-QZTJIDSGSA-N	1	0	370.501	1.637	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(F)cc(F)c2)C[C@H]1c1cncn1C	ZINC001131119787	940505690	/nfs/dbraw/zinc/50/56/90/940505690.db2.gz	VVAKHXHDLXSIQV-IAGOWNOFSA-N	1	0	358.392	1.919	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCCn2cccc2)C[C@H]1c1cncn1C	ZINC001131125930	940507876	/nfs/dbraw/zinc/50/78/76/940507876.db2.gz	NUAVNWVUVSFBHP-QZTJIDSGSA-N	1	0	353.470	1.609	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2nn(CC)nc2C)C[C@H]1c1cncn1C	ZINC001131138623	940509479	/nfs/dbraw/zinc/50/94/79/940509479.db2.gz	LPXJTXYWYKHYNX-HZPDHXFCSA-N	1	0	371.489	1.504	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCCOCC)C[C@H]1c1cncn1C	ZINC001131130298	940510837	/nfs/dbraw/zinc/51/08/37/940510837.db2.gz	FVAUZZLAKUDWRE-BRWVUGGUSA-N	1	0	364.490	1.322	20	30		FDEDRO
Cn1cncc1[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1[NH2+]CCCO	ZINC001131130521	940511337	/nfs/dbraw/zinc/51/13/37/940511337.db2.gz	QOTFISCWYLRTGG-RTBURBONSA-N	1	0	366.465	1.128	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)n2nc(C)cc2C)C[C@H]1c1cncn1C	ZINC001131130654	940511519	/nfs/dbraw/zinc/51/15/19/940511519.db2.gz	XMHUIYWGQJYNAH-KZNAEPCWSA-N	1	0	368.485	1.402	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C2CCOCC2)C[C@H]1c1cncn1C	ZINC001131136301	940513301	/nfs/dbraw/zinc/51/33/01/940513301.db2.gz	GFLSNGQVDUGVOF-CGTJXYLNSA-N	1	0	358.486	1.390	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCCOC)C1	ZINC001131136573	940513579	/nfs/dbraw/zinc/51/35/79/940513579.db2.gz	UHQJAFPQAGKYJN-IAGOWNOFSA-N	1	0	364.490	1.323	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)C1CCCC1	ZINC000808059213	940514533	/nfs/dbraw/zinc/51/45/33/940514533.db2.gz	OIOGSMPIYSNNTJ-OALUTQOASA-N	1	0	353.466	1.952	20	30		FDEDRO
Cc1c(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)nnn1C	ZINC001086664089	940544658	/nfs/dbraw/zinc/54/46/58/940544658.db2.gz	WYXWKHWASMURLE-DLBZAZTESA-N	1	0	352.442	1.684	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)COC(C)C)C1	ZINC001131304668	940548168	/nfs/dbraw/zinc/54/81/68/940548168.db2.gz	PQUGKBVKGAQZBL-ZACQAIPSSA-N	1	0	365.474	1.484	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC(C)(C)O)C1	ZINC001131304981	940548354	/nfs/dbraw/zinc/54/83/54/940548354.db2.gz	ZDBKDAJANWEDRW-OAGGEKHMSA-N	1	0	365.474	1.220	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cc[nH]c2)C1	ZINC001131307112	940548895	/nfs/dbraw/zinc/54/88/95/940548895.db2.gz	JJOQNLOJSPLGJO-ZACQAIPSSA-N	1	0	358.442	1.700	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCCF)C1	ZINC001131313254	940552911	/nfs/dbraw/zinc/55/29/11/940552911.db2.gz	LXYYEIGNDBTKPC-OAGGEKHMSA-N	1	0	353.438	1.808	20	30		FDEDRO
C=CCCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCO[C@H]2CC)CC1	ZINC001131369758	940557889	/nfs/dbraw/zinc/55/78/89/940557889.db2.gz	XBYFOBOQKINWLD-SJORKVTESA-N	1	0	351.491	1.418	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2OCC[C@H]2C)CC1	ZINC001131383563	940559422	/nfs/dbraw/zinc/55/94/22/940559422.db2.gz	OOLNLEXQLRMKEE-NUJGCVRESA-N	1	0	351.491	1.417	20	30		FDEDRO
CC(C)(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NCC#N)CC1	ZINC001131427328	940567074	/nfs/dbraw/zinc/56/70/74/940567074.db2.gz	WJNDBFMLKBRQGS-QAPCUYQASA-N	1	0	364.490	1.048	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2cccn2)CC1	ZINC001131418976	940568007	/nfs/dbraw/zinc/56/80/07/940568007.db2.gz	JDDLIKRTBQEUNV-MJGOQNOKSA-N	1	0	362.474	1.071	20	30		FDEDRO
CCO[C@H](CC)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC#CCOC)CC1	ZINC001131439730	940589015	/nfs/dbraw/zinc/58/90/15/940589015.db2.gz	QUZIGIUMTCXWTA-QRVBRYPASA-N	1	0	366.502	1.437	20	30		FDEDRO
C=CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(=O)N(C)C)CC1	ZINC001131448852	940602819	/nfs/dbraw/zinc/60/28/19/940602819.db2.gz	UIKBBJFWOBYWII-LESCRADOSA-N	1	0	351.491	1.415	20	30		FDEDRO
C#CCCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCO)CC1	ZINC001131476003	940619009	/nfs/dbraw/zinc/61/90/09/940619009.db2.gz	MXHDLYIOAVPRAH-QUCCMNQESA-N	1	0	366.502	1.175	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCCO2)CC1	ZINC001131476200	940619306	/nfs/dbraw/zinc/61/93/06/940619306.db2.gz	VWKHTMSFJDVYOM-QYZOEREBSA-N	1	0	366.502	1.744	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn(C)c2N)CC1	ZINC001131476230	940619402	/nfs/dbraw/zinc/61/94/02/940619402.db2.gz	WXHPEAIBQZUATH-SJORKVTESA-N	1	0	361.490	1.568	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1	ZINC000808834612	940620017	/nfs/dbraw/zinc/62/00/17/940620017.db2.gz	GKBPYUCSOZPZPR-CYBMUJFWSA-N	1	0	360.296	1.495	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)/C(C)=C/C)CC1	ZINC001131467659	940624009	/nfs/dbraw/zinc/62/40/09/940624009.db2.gz	JMOYWWVNKWWOHL-IALVRATHSA-N	1	0	361.486	1.076	20	30		FDEDRO
CC[C@@H](SC)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC#CCOC)CC1	ZINC001131472925	940627549	/nfs/dbraw/zinc/62/75/49/940627549.db2.gz	FSFOGQWBXFUXEI-KURKYZTESA-N	1	0	368.543	1.764	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn(C)nn2)CC1	ZINC001131488054	940632481	/nfs/dbraw/zinc/63/24/81/940632481.db2.gz	VIIJHAURBHPDQV-LESCRADOSA-N	1	0	361.490	1.769	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCC(=O)NC)CC1	ZINC001131480980	940637226	/nfs/dbraw/zinc/63/72/26/940637226.db2.gz	XGZCAYPBDKVYJT-APWZRJJASA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCC)CC1	ZINC001131483164	940638941	/nfs/dbraw/zinc/63/89/41/940638941.db2.gz	QUDQFZVVCMRCMD-NZSAHSFTSA-N	1	0	354.491	1.336	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCn2ccccc2=O)CC1	ZINC001131510676	940659912	/nfs/dbraw/zinc/65/99/12/940659912.db2.gz	WXECAQXYBYXLCG-NQIIRXRSSA-N	1	0	371.481	1.247	20	30		FDEDRO
C=C(C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N(C)CC)CC1	ZINC001131510536	940659948	/nfs/dbraw/zinc/65/99/48/940659948.db2.gz	OTNGYRRPDXTRMZ-XLIONFOSSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn[nH]c(=O)c2)CC1	ZINC001131517490	940684884	/nfs/dbraw/zinc/68/48/84/940684884.db2.gz	UPWNJFJLAYTCMF-AEFFLSMTSA-N	1	0	360.458	1.748	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CCCCC2=O)CC1	ZINC001131528342	940698138	/nfs/dbraw/zinc/69/81/38/940698138.db2.gz	SYKSKQCRORDRAX-XLIONFOSSA-N	1	0	363.502	1.561	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(COC)CC2)CC1	ZINC001131531925	940701244	/nfs/dbraw/zinc/70/12/44/940701244.db2.gz	PSTPOTBPQGAKRA-MSOLQXFVSA-N	1	0	364.486	1.049	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc3nnnn3c2)CC1	ZINC001131533501	940704279	/nfs/dbraw/zinc/70/42/79/940704279.db2.gz	IQWZDEHZAITWQB-AEFFLSMTSA-N	1	0	370.457	1.300	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCOC[C@@H]2CCCO2)CC1	ZINC001131522398	940705540	/nfs/dbraw/zinc/70/55/40/940705540.db2.gz	FWNDOZUXDAFMHG-NSHGMRRFSA-N	1	0	366.502	1.744	20	30		FDEDRO
O=C(C[NH2+]CCNC(=O)C[C@@H]1C[C@H]1C1CC1)NCC#Cc1ccccc1	ZINC001131525704	940710381	/nfs/dbraw/zinc/71/03/81/940710381.db2.gz	HKSDCYDJPULUJR-OALUTQOASA-N	1	0	353.466	1.296	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2nc(C)no2)CC1	ZINC001131538137	940726373	/nfs/dbraw/zinc/72/63/73/940726373.db2.gz	HPUPHZOBWMKLEC-APWZRJJASA-N	1	0	362.474	1.872	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCNC(=O)C3)C2)c1	ZINC001086671350	940728149	/nfs/dbraw/zinc/72/81/49/940728149.db2.gz	UVZMMFHWSQGOOV-OKZBNKHCSA-N	1	0	354.454	1.459	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCc3nc[nH]c32)CC1	ZINC001131562541	940736475	/nfs/dbraw/zinc/73/64/75/940736475.db2.gz	YASLVMQDZYAZNI-HQRMLTQVSA-N	1	0	370.497	1.839	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)OCc2ccncc2)CC1	ZINC001131567377	940742520	/nfs/dbraw/zinc/74/25/20/940742520.db2.gz	IGYOQMQMZIAKPU-DBVUQKKJSA-N	1	0	371.481	1.606	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(C3CC3)n[nH]2)CC1	ZINC001131570476	940746162	/nfs/dbraw/zinc/74/61/62/940746162.db2.gz	IKHBEBQUQFTJFO-APWZRJJASA-N	1	0	356.470	1.910	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccnnc2)CC1	ZINC001131570959	940747068	/nfs/dbraw/zinc/74/70/68/940747068.db2.gz	VCUPIFRGQMODJB-MSOLQXFVSA-N	1	0	360.458	1.279	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCO)CC1	ZINC001131573328	940749492	/nfs/dbraw/zinc/74/94/92/940749492.db2.gz	XCCKBCCZYHZIII-MSOLQXFVSA-N	1	0	368.518	1.583	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2nocc2C)CC1	ZINC001131593167	940764385	/nfs/dbraw/zinc/76/43/85/940764385.db2.gz	PEDWMPFHASGMFR-AEFFLSMTSA-N	1	0	363.458	1.785	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnc(C)nc2C)CC1	ZINC001131580112	940766229	/nfs/dbraw/zinc/76/62/29/940766229.db2.gz	KGWOSWKEYAFLBW-MOPGFXCFSA-N	1	0	356.470	1.716	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCCOC)CC2)nc1	ZINC001131597366	940781441	/nfs/dbraw/zinc/78/14/41/940781441.db2.gz	ZYZJOCCXGBKDRC-QUCCMNQESA-N	1	0	371.481	1.699	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(N(C)C)cn2)CC1	ZINC001131608502	940788203	/nfs/dbraw/zinc/78/82/03/940788203.db2.gz	CAVOWUDQMXNSTG-QUCCMNQESA-N	1	0	370.497	1.770	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)[C@H]1CCCO1	ZINC000809309020	940812801	/nfs/dbraw/zinc/81/28/01/940812801.db2.gz	KVTKCFOZDGXGFM-ZWKOTPCHSA-N	1	0	357.454	1.004	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1)[C@H]1CCCO1	ZINC000809311399	940815537	/nfs/dbraw/zinc/81/55/37/940815537.db2.gz	HMUUUTFAZUJQKT-OPQOLIRYSA-N	1	0	361.486	1.006	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)cc1C#N	ZINC000809503196	940845361	/nfs/dbraw/zinc/84/53/61/940845361.db2.gz	ZRBMMIFCHCLYTF-UHFFFAOYSA-N	1	0	370.453	1.270	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1C#N	ZINC000809504115	940845849	/nfs/dbraw/zinc/84/58/49/940845849.db2.gz	GKILQQSBCVIVDY-RDJZCZTQSA-N	1	0	370.453	1.126	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1	ZINC000809588977	940871323	/nfs/dbraw/zinc/87/13/23/940871323.db2.gz	ARQOLBKEHGZHRQ-NRFANRHFSA-N	1	0	373.497	1.676	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1	ZINC000809823889	940910487	/nfs/dbraw/zinc/91/04/87/940910487.db2.gz	HBCFWKVGNRDDNE-INIZCTEOSA-N	1	0	358.417	1.447	20	30		FDEDRO
C[C@@H]1CCCN(C(=O)C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1	ZINC001086675988	940923935	/nfs/dbraw/zinc/92/39/35/940923935.db2.gz	KCHUWNWLAALJHF-OWCLPIDISA-N	1	0	371.485	1.633	20	30		FDEDRO
N#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@@H]3CCNC(=O)CC3)C2)[nH]1	ZINC001086676321	940933489	/nfs/dbraw/zinc/93/34/89/940933489.db2.gz	RXTUNQBUNCRPQD-SOUVJXGZSA-N	1	0	357.458	1.291	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c(F)c1	ZINC000810411067	940986822	/nfs/dbraw/zinc/98/68/22/940986822.db2.gz	HVQBNVFLHNHLLT-UHFFFAOYSA-N	1	0	361.352	1.281	20	30		FDEDRO
Cn1nncc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2C#N)C1	ZINC001086686792	941074959	/nfs/dbraw/zinc/07/49/59/941074959.db2.gz	ICAUWLFNBLHBTC-BLLLJJGKSA-N	1	0	356.405	1.514	20	30		FDEDRO
NS(=O)(=O)c1ccc2c(c1)C(=NNCC[NH+]1CCCCC1)CCC2	ZINC000811639137	941147734	/nfs/dbraw/zinc/14/77/34/941147734.db2.gz	PEWPLNYMZUEWJH-UHFFFAOYSA-N	1	0	350.488	1.450	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)N(C)Cc2cccc(F)c2)CC1	ZINC000747822741	941279541	/nfs/dbraw/zinc/27/95/41/941279541.db2.gz	DVAWVNVATRLLBK-OAHLLOKOSA-N	1	0	359.445	1.634	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccccc1OCC	ZINC001134061839	941540517	/nfs/dbraw/zinc/54/05/17/941540517.db2.gz	GDKFJQLCVKZTBD-ZBFHGGJFSA-N	1	0	361.442	1.321	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1F	ZINC001134062240	941540805	/nfs/dbraw/zinc/54/08/05/941540805.db2.gz	UETQOJFJHLKCRY-VBQJREDUSA-N	1	0	363.433	1.758	20	30		FDEDRO
N#Cc1ccc(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)o1	ZINC000814113766	941554707	/nfs/dbraw/zinc/55/47/07/941554707.db2.gz	PAAGAZIPMGEOHK-UHFFFAOYSA-N	1	0	354.414	1.273	20	30		FDEDRO
COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C[C@@H]21	ZINC000814173597	941567583	/nfs/dbraw/zinc/56/75/83/941567583.db2.gz	NCQWBCUJVYQLEX-FVQHAEBGSA-N	1	0	351.410	1.710	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@H]1CC[C@@H]([NH2+][C@@H](C)c2nnnn2C)C1	ZINC001086718239	941582038	/nfs/dbraw/zinc/58/20/38/941582038.db2.gz	ODCWSKOKKXHBSU-SOUVJXGZSA-N	1	0	357.462	1.447	20	30		FDEDRO
C#CCNC(=O)CC[NH+]1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1	ZINC000815009617	941751039	/nfs/dbraw/zinc/75/10/39/941751039.db2.gz	HPZBDYMQTKDRFP-UHFFFAOYSA-N	1	0	369.387	1.842	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)Cc1cccc(Br)c1	ZINC000815082459	941777853	/nfs/dbraw/zinc/77/78/53/941777853.db2.gz	SEGQQWBENRLHOJ-UHFFFAOYSA-N	1	0	359.289	1.824	20	30		FDEDRO
CCNC(=O)[C@@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C(C)C	ZINC000815131908	941789081	/nfs/dbraw/zinc/78/90/81/941789081.db2.gz	POYYPEPIBNWXNS-KDOFPFPSSA-N	1	0	365.437	1.974	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC1CCCC1	ZINC001135067656	941883319	/nfs/dbraw/zinc/88/33/19/941883319.db2.gz	GLJQCWSKPRDNQG-XIRDDKMYSA-N	1	0	351.491	1.511	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1c1ccccc1	ZINC001135126127	941920192	/nfs/dbraw/zinc/92/01/92/941920192.db2.gz	NTJOVQNMGBALAU-QUCCMNQESA-N	1	0	371.481	1.671	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N(C)Cc1ccsc1	ZINC001135145734	941929591	/nfs/dbraw/zinc/92/95/91/941929591.db2.gz	RJMCEIDTGPDPHE-RDJZCZTQSA-N	1	0	365.499	1.394	20	30		FDEDRO
CN(CC(C)(C)C#N)C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1	ZINC000815801367	941971812	/nfs/dbraw/zinc/97/18/12/941971812.db2.gz	SUZJJYWTLYKZBY-UHFFFAOYSA-N	1	0	371.485	1.775	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)nc1	ZINC000815860717	941995718	/nfs/dbraw/zinc/99/57/18/941995718.db2.gz	XQOPXANIJBSCCD-UHFFFAOYSA-N	1	0	372.347	1.033	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C)c(OCC(F)F)c1	ZINC000815860514	941996236	/nfs/dbraw/zinc/99/62/36/941996236.db2.gz	OZCUMMDYNJQBTC-UHFFFAOYSA-N	1	0	367.396	1.649	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccccc1CN(CC)C(C)=O	ZINC000815861062	941997600	/nfs/dbraw/zinc/99/76/00/941997600.db2.gz	OZRXUZHIDWXTLN-UHFFFAOYSA-N	1	0	372.469	1.065	20	30		FDEDRO
CCOC(=O)c1cc(C#N)c(Cl)nc1NCCOCCOCC[NH3+]	ZINC001159444302	942001680	/nfs/dbraw/zinc/00/16/80/942001680.db2.gz	FPUHQFSSRVKTJA-UHFFFAOYSA-N	1	0	356.810	1.187	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3n[nH]c4c3CCC4)C2)C1=O	ZINC001086742304	942188830	/nfs/dbraw/zinc/18/88/30/942188830.db2.gz	IRXIUNFVEPVFIR-JJRVBVJISA-N	1	0	371.485	1.173	20	30		FDEDRO
Cn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)ccc1=O	ZINC001086743468	942212018	/nfs/dbraw/zinc/21/20/18/942212018.db2.gz	RAILNMXWEZYLFD-PKOBYXMFSA-N	1	0	364.449	1.945	20	30		FDEDRO
N#Cc1ccc2ncc(CNCC(=O)NCC[NH+]3CCCCCC3)n2c1	ZINC000816621099	942280181	/nfs/dbraw/zinc/28/01/81/942280181.db2.gz	ZCHOJORSWADDTC-UHFFFAOYSA-N	1	0	354.458	1.288	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@](C(=O)OC)(c3ccccc3)C2)CC1	ZINC000816826006	942357735	/nfs/dbraw/zinc/35/77/35/942357735.db2.gz	UAFCFNAHZRJGES-OAQYLSRUSA-N	1	0	354.450	1.675	20	30		FDEDRO
CN(C)/C=[NH+]/c1ccc(N[C@@H](Cc2ccc(O)cc2)C(O)O)cc1C#N	ZINC001170851339	942436108	/nfs/dbraw/zinc/43/61/08/942436108.db2.gz	DRXMOFKCCHJPPP-IUOVYFEOSA-N	1	0	354.410	1.819	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCS(C)(=O)=O	ZINC001170853032	942480739	/nfs/dbraw/zinc/48/07/39/942480739.db2.gz	LPCKHBWYNFSQDW-XHSDSOJGSA-N	1	0	360.520	1.277	20	30		FDEDRO
Cn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(C#N)ccc3F)C2)[nH]c1=O	ZINC001086794072	942532966	/nfs/dbraw/zinc/53/29/66/942532966.db2.gz	AJKDRGZENIHGKJ-DZGCQCFKSA-N	1	0	371.416	1.825	20	30		FDEDRO
Cn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(F)ccc3C#N)C2)[nH]c1=O	ZINC001086794524	942536616	/nfs/dbraw/zinc/53/66/16/942536616.db2.gz	YNBSNFPAKNRYRZ-BLLLJJGKSA-N	1	0	371.416	1.825	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)c1	ZINC000817822000	943026614	/nfs/dbraw/zinc/02/66/14/943026614.db2.gz	GWGWGZRWLHLXIX-KRWDZBQOSA-N	1	0	363.461	1.921	20	30		FDEDRO
C=CCCN(OCc1ccccc1)C(=O)C(=O)N1CCC[C@H](C[NH2+]C)C1	ZINC000817986481	943119681	/nfs/dbraw/zinc/11/96/81/943119681.db2.gz	QMDCYMHABDUKJB-GOSISDBHSA-N	1	0	359.470	1.981	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1	ZINC000818584245	943294579	/nfs/dbraw/zinc/29/45/79/943294579.db2.gz	JMJGGZVCTYSQKT-CYBMUJFWSA-N	1	0	365.836	1.903	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F	ZINC000818612289	943301132	/nfs/dbraw/zinc/30/11/32/943301132.db2.gz	SXLPUXMEDLJEFH-UHFFFAOYSA-N	1	0	368.359	1.989	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnon3)C2)cc1	ZINC001086821849	943316557	/nfs/dbraw/zinc/31/65/57/943316557.db2.gz	DQPNJEPBGBBOKY-GOEBONIOSA-N	1	0	354.410	1.770	20	30		FDEDRO
Cc1nccn1-c1ccc(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)cn1	ZINC000818968118	943385628	/nfs/dbraw/zinc/38/56/28/943385628.db2.gz	LIVWHTMIYYEJLM-GOSISDBHSA-N	1	0	363.421	1.977	20	30		FDEDRO
Cn1ccnc1[C@@](O)(CC[NH2+]C[C@H](O)c1ccc(C#N)cc1)C(F)(F)F	ZINC000818969965	943387554	/nfs/dbraw/zinc/38/75/54/943387554.db2.gz	JZCRNBAQHCGIKD-HOCLYGCPSA-N	1	0	368.359	1.755	20	30		FDEDRO
Cc1ccc(C)c(OC[C@H](O)C[NH2+]CCNC(=O)C2N=CC=CC2=O)c1	ZINC000819049612	943394867	/nfs/dbraw/zinc/39/48/67/943394867.db2.gz	MDPBMGJNIYHVPO-RAJOGRCSSA-N	1	0	359.426	1.159	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]C[C@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C	ZINC000819083151	943413424	/nfs/dbraw/zinc/41/34/24/943413424.db2.gz	WCQBXYUREPZERV-KBPBESRZSA-N	1	0	353.463	1.476	20	30		FDEDRO
C#C[C@H]([NH2+]C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCCO1	ZINC000819243228	943480224	/nfs/dbraw/zinc/48/02/24/943480224.db2.gz	ZRLURLBGRMSBHM-BBWFWOEESA-N	1	0	352.475	1.765	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1	ZINC000819222658	943495002	/nfs/dbraw/zinc/49/50/02/943495002.db2.gz	UBOOSIIIPMUEEV-LLVKDONJSA-N	1	0	368.282	1.924	20	30		FDEDRO
COCCS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)cc1	ZINC000819264241	943516271	/nfs/dbraw/zinc/51/62/71/943516271.db2.gz	ORPFSAJDZVTSLI-LJQANCHMSA-N	1	0	374.462	1.802	20	30		FDEDRO
CCN1CCc2nc3ccccc3c(C(=O)N[C@H]3CCN(O)C3=O)c2C1	ZINC000820149026	943914366	/nfs/dbraw/zinc/91/43/66/943914366.db2.gz	KWAZMFUAZUTFEM-INIZCTEOSA-N	1	0	354.410	1.333	20	30		FDEDRO
Cn1ccnc1[C@@H](NCC(=O)NCc1cccc(C#N)c1)C(C)(C)CO	ZINC001195578676	971048083	/nfs/dbraw/zinc/04/80/83/971048083.db2.gz	RRYCVSDPOPHTKY-QGZVFWFLSA-N	1	0	355.442	1.257	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCN(CC(F)F)CC2)C1	ZINC001195614898	971080011	/nfs/dbraw/zinc/08/00/11/971080011.db2.gz	HWVPSFKPERCKAA-FVQBIDKESA-N	1	0	359.461	1.480	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)s1	ZINC000821479998	944528659	/nfs/dbraw/zinc/52/86/59/944528659.db2.gz	AOFXAAUMAYNUJO-STQMWFEESA-N	1	0	371.528	1.306	20	30		FDEDRO
C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)[C@H](O)c1ccc(C#N)cc1	ZINC000856411358	971130383	/nfs/dbraw/zinc/13/03/83/971130383.db2.gz	UYWYBFXCMTYFEQ-ZWKOTPCHSA-N	1	0	357.454	1.693	20	30		FDEDRO
COC(=O)c1ccc(C(=N)Nc2ccc3nc([C@H]4CC[NH2+]C4)nn3c2)cc1	ZINC001170989445	945041754	/nfs/dbraw/zinc/04/17/54/945041754.db2.gz	WJRBRCQMYUUAIT-AWEZNQCLSA-N	1	0	364.409	1.630	20	30		FDEDRO
C#C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1CCOCC1	ZINC000823169190	945550078	/nfs/dbraw/zinc/55/00/78/945550078.db2.gz	WULMWSLGFMLGEF-OALUTQOASA-N	1	0	362.518	1.225	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2cc(F)cc(C#N)c2)C[C@H]1[NH+]1CCCC1	ZINC000867125164	971170381	/nfs/dbraw/zinc/17/03/81/971170381.db2.gz	UERRKQUSBIBHMW-HZPDHXFCSA-N	1	0	369.487	1.898	20	30		FDEDRO
CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C)C(C)C	ZINC001090752870	946263514	/nfs/dbraw/zinc/26/35/14/946263514.db2.gz	JGPIRXGOZGQCLI-QGPMSJSTSA-N	1	0	358.490	1.656	20	30		FDEDRO
COCC(C)(C)[NH+]1CCN(C(=O)NCCNc2ncccc2C#N)CC1	ZINC000824233894	946290267	/nfs/dbraw/zinc/29/02/67/946290267.db2.gz	PTTXHOIJWXXSTD-UHFFFAOYSA-N	1	0	360.462	1.117	20	30		FDEDRO
COCCOCC[N@H+](C)CCC(=O)N1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000824396505	946395146	/nfs/dbraw/zinc/39/51/46/946395146.db2.gz	XSGULHXWFKQMSH-FQEVSTJZSA-N	1	0	374.485	1.450	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H](C)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1	ZINC000823850798	946490846	/nfs/dbraw/zinc/49/08/46/946490846.db2.gz	UGYORJGHLPALFZ-AWEZNQCLSA-N	1	0	360.421	1.934	20	30		FDEDRO
C[N@H+](CCN1CCOCC1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N	ZINC000114464019	971251679	/nfs/dbraw/zinc/25/16/79/971251679.db2.gz	OQUHTUBUDZJIQJ-INIZCTEOSA-N	1	0	365.437	1.488	20	30		FDEDRO
C#CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C(C)(C)[C@@H]21	ZINC001573281623	946676813	/nfs/dbraw/zinc/67/68/13/946676813.db2.gz	ACZFRROETDEIFT-FVQBIDKESA-N	1	0	367.457	1.437	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CC[N@@H+](CCC)C2)s1	ZINC000824680846	946679381	/nfs/dbraw/zinc/67/93/81/946679381.db2.gz	FGMBCJOLQADUDU-ZDUSSCGKSA-N	1	0	371.528	1.355	20	30		FDEDRO
C#CCCCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573282875	946700306	/nfs/dbraw/zinc/70/03/06/946700306.db2.gz	BZWYLZBZUVRGPI-WOVMCDHWSA-N	1	0	352.442	1.655	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1	ZINC001573284041	946736472	/nfs/dbraw/zinc/73/64/72/946736472.db2.gz	PYJNEWRHFWIXRA-CYBMUJFWSA-N	1	0	358.471	1.812	20	30		FDEDRO
C#CCCCC(=O)N(C)CC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C(C)C	ZINC001573285098	946768466	/nfs/dbraw/zinc/76/84/66/946768466.db2.gz	RRENVPSUZSQPNZ-INIZCTEOSA-N	1	0	369.473	1.772	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1	ZINC001573285335	946776817	/nfs/dbraw/zinc/77/68/17/946776817.db2.gz	GTBXTWDXHXPGRK-CHWSQXEVSA-N	1	0	374.470	1.047	20	30		FDEDRO
N#Cc1cnn(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)c1N	ZINC000824818973	946792432	/nfs/dbraw/zinc/79/24/32/946792432.db2.gz	ZFDNZBLOLPHHRL-VQIMIIECSA-N	1	0	351.410	1.516	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CCCCNc1ccnc(N2CCC([NH3+])CC2)n1	ZINC001171067478	946799978	/nfs/dbraw/zinc/79/99/78/946799978.db2.gz	GUVRTUUWZDAIDV-HNNXBMFYSA-N	1	0	362.478	1.043	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1	ZINC000856654170	971286223	/nfs/dbraw/zinc/28/62/23/971286223.db2.gz	QYNAEVBUSYNEES-IBGZPJMESA-N	1	0	359.470	1.941	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H](C)CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573291208	946914837	/nfs/dbraw/zinc/91/48/37/946914837.db2.gz	ADEGCFVVPBGLEP-VIFPVBQESA-N	1	0	368.239	1.201	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573293258	946951488	/nfs/dbraw/zinc/95/14/88/946951488.db2.gz	QBLANKABXXFZOR-JOCQHMNTSA-N	1	0	355.446	1.593	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C(C)(C)C1	ZINC001573560991	946959321	/nfs/dbraw/zinc/95/93/21/946959321.db2.gz	IHFCPZZDMSSJON-IAQYHMDHSA-N	1	0	371.420	1.492	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C(C)(C)C1	ZINC001573563024	946981272	/nfs/dbraw/zinc/98/12/72/946981272.db2.gz	YWVDLCBEIVYCSA-IAQYHMDHSA-N	1	0	371.420	1.492	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573564453	946992055	/nfs/dbraw/zinc/99/20/55/946992055.db2.gz	IUASVNPSMHDFOJ-AAEUAGOBSA-N	1	0	357.393	1.104	20	30		FDEDRO
C=C(Cl)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1	ZINC001573294675	946994486	/nfs/dbraw/zinc/99/44/86/946994486.db2.gz	GEYCDNVOBLWPQD-VXGBXAGGSA-N	1	0	363.853	1.778	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573564680	946995529	/nfs/dbraw/zinc/99/55/29/946995529.db2.gz	KACQLOVWAAMCDW-RYUDHWBXSA-N	1	0	357.393	1.104	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC(C[NH2+]Cc2ccccc2-c2nn[nH]n2)CC1	ZINC001573565846	947015023	/nfs/dbraw/zinc/01/50/23/947015023.db2.gz	WQCQZXOGYDBIJL-ZDUSSCGKSA-N	1	0	353.430	1.355	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573566403	947025710	/nfs/dbraw/zinc/02/57/10/947025710.db2.gz	CFFVQYFBTVIFSG-FZMZJTMJSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573567473	947046357	/nfs/dbraw/zinc/04/63/57/947046357.db2.gz	NPVCPZUNPRYGKP-CJNGLKHVSA-N	1	0	353.430	1.497	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1	ZINC001573567615	947050333	/nfs/dbraw/zinc/05/03/33/947050333.db2.gz	PNHKGKXIOLVYGZ-JSGCOSHPSA-N	1	0	371.420	1.588	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]21	ZINC001573570368	947086773	/nfs/dbraw/zinc/08/67/73/947086773.db2.gz	NNMWTIBEKWCFEQ-MQIPJXDCSA-N	1	0	369.404	1.198	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1(C)C	ZINC001573571897	947104355	/nfs/dbraw/zinc/10/43/55/947104355.db2.gz	BIBVKZYZFOGERH-XJKSGUPXSA-N	1	0	367.457	1.743	20	30		FDEDRO
C[C@H](C#N)C(=O)NC1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1	ZINC001573572289	947111105	/nfs/dbraw/zinc/11/11/05/947111105.db2.gz	GQMKWZJWKYIREJ-LLVKDONJSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@H](C#N)C(=O)NC1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1	ZINC001573573367	947121040	/nfs/dbraw/zinc/12/10/40/947121040.db2.gz	MZHTXQUMCHZKOE-LLVKDONJSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@H]1CCCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1	ZINC001573575658	947141075	/nfs/dbraw/zinc/14/10/75/947141075.db2.gz	AHZNVUVOCQYARO-QWHCGFSZSA-N	1	0	373.486	1.949	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573582195	947187408	/nfs/dbraw/zinc/18/74/08/947187408.db2.gz	BTMHYZRMHFNWFI-STQMWFEESA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@H](C#N)C(=O)NCCC1(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC1	ZINC001573582926	947198210	/nfs/dbraw/zinc/19/82/10/947198210.db2.gz	HXEQSVGTALFSEY-GFCCVEGCSA-N	1	0	371.420	1.542	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)CC)C[C@H]2c2ccc(OC)cc2)C1=O	ZINC001090857859	947204379	/nfs/dbraw/zinc/20/43/79/947204379.db2.gz	ONJROJYHFQARCT-GBESFXJTSA-N	1	0	371.481	1.776	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1C	ZINC001573583832	947211619	/nfs/dbraw/zinc/21/16/19/947211619.db2.gz	PNIPCVMFZSJLEK-YRGRVCCFSA-N	1	0	371.420	1.350	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573584508	947223486	/nfs/dbraw/zinc/22/34/86/947223486.db2.gz	XBRXIUCJENXLOF-JSGCOSHPSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1	ZINC001573584874	947237280	/nfs/dbraw/zinc/23/72/80/947237280.db2.gz	AJIOIBIPQYIKJP-SRVKXCTJSA-N	1	0	359.459	1.605	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)[C@@H]1C	ZINC001573585319	947253230	/nfs/dbraw/zinc/25/32/30/947253230.db2.gz	OKVSJRQUHDRNLC-HFAKWTLXSA-N	1	0	357.393	1.244	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H](C)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1	ZINC001573585448	947257546	/nfs/dbraw/zinc/25/75/46/947257546.db2.gz	PDQNXIWLPXVLGH-VXGBXAGGSA-N	1	0	373.486	1.805	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@H]1c1ccc(OC)cc1	ZINC001090863259	947314290	/nfs/dbraw/zinc/31/42/90/947314290.db2.gz	DOMXJXHFTOBNEM-OTWHNJEPSA-N	1	0	360.454	1.571	20	30		FDEDRO
C=CCCC(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)[C@@H](C)C1	ZINC001573329385	947419119	/nfs/dbraw/zinc/41/91/19/947419119.db2.gz	ISOBSSIKOYTTMO-LRDDRELGSA-N	1	0	358.421	1.909	20	30		FDEDRO
C=CCCCC(=O)NC[C@H]1C[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1	ZINC001573334491	947457015	/nfs/dbraw/zinc/45/70/15/947457015.db2.gz	DRZXGVBBQZJWHF-HDJSIYSDSA-N	1	0	355.446	1.655	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2ccnn2C)C[C@H]1c1ccc(OC)cc1	ZINC001090871986	947464589	/nfs/dbraw/zinc/46/45/89/947464589.db2.gz	BGVHKWRZWAVYPT-VQTJNVASSA-N	1	0	366.465	1.579	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090874764	947482405	/nfs/dbraw/zinc/48/24/05/947482405.db2.gz	PXCISUADKQKPEX-NZSAHSFTSA-N	1	0	371.481	1.634	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@]2(CC)CCNC2=O)C[C@H]1c1ccc(OC)cc1	ZINC001090875005	947486938	/nfs/dbraw/zinc/48/69/38/947486938.db2.gz	YYEJBGKVAMSLNQ-WAOWUJCRSA-N	1	0	371.481	1.682	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1c1ccc(OC)cc1	ZINC001090875143	947488668	/nfs/dbraw/zinc/48/86/68/947488668.db2.gz	HZIIAXUSVSXKBO-RBUKOAKNSA-N	1	0	365.433	1.225	20	30		FDEDRO
C=CCCOCC(=O)NC1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1	ZINC001573336157	947500184	/nfs/dbraw/zinc/50/01/84/947500184.db2.gz	JUKJHWFJXGJLPV-UHFFFAOYSA-N	1	0	371.445	1.330	20	30		FDEDRO
C=CCOCC(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F	ZINC001573343003	947550749	/nfs/dbraw/zinc/55/07/49/947550749.db2.gz	HXVXPOOBGASHFB-OAHLLOKOSA-N	1	0	374.420	1.289	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccnc(OC)n2)C[C@H]1c1ccc(OC)cc1	ZINC001090876198	947555135	/nfs/dbraw/zinc/55/51/35/947555135.db2.gz	RLNHJDUVLHDMIF-FUHWJXTLSA-N	1	0	366.421	1.325	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(C)nn(C)c2C)C[C@H]1c1ccc(OC)cc1	ZINC001090876869	947563740	/nfs/dbraw/zinc/56/37/40/947563740.db2.gz	FTUIYGAWHRWEQS-RBUKOAKNSA-N	1	0	366.465	1.877	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3ccc(OC)cc3)[C@H]([NH2+]CCO)C2)c1	ZINC001090880606	947593034	/nfs/dbraw/zinc/59/30/34/947593034.db2.gz	AYVFFSVSMLLCCX-VQTJNVASSA-N	1	0	365.433	1.262	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1ccc(OC)cc1	ZINC001090884423	947641572	/nfs/dbraw/zinc/64/15/72/947641572.db2.gz	QAQCCQGWELYHKQ-RBUKOAKNSA-N	1	0	353.466	1.308	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn(CC)nn2)C[C@H]1c1ccc(OC)cc1	ZINC001090884746	947648642	/nfs/dbraw/zinc/64/86/42/947648642.db2.gz	IDLQQVBAHPZLRY-DLBZAZTESA-N	1	0	355.442	1.690	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]21	ZINC001573359374	947685937	/nfs/dbraw/zinc/68/59/37/947685937.db2.gz	ZXFBISOJNDCBIX-NWANDNLSSA-N	1	0	353.430	1.048	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090888885	947721972	/nfs/dbraw/zinc/72/19/72/947721972.db2.gz	YRTDACAWWJMEPI-NZSAHSFTSA-N	1	0	369.465	1.081	20	30		FDEDRO
CCOc1ccc(-c2nc(CC(=O)N[C@@H]3C[NH2+]C[C@H]3C#N)cs2)cc1	ZINC000844195517	947866086	/nfs/dbraw/zinc/86/60/86/947866086.db2.gz	VUSGWVADXUZFRX-CZUORRHYSA-N	1	0	356.451	1.979	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@@](C)(O)CN(C)C(=O)OC(C)(C)C)CC1	ZINC000844287304	947952650	/nfs/dbraw/zinc/95/26/50/947952650.db2.gz	LHPOPWUSWDAWME-IBGZPJMESA-N	1	0	367.490	1.066	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3cc(C)nc3C1)C2	ZINC001110713941	971445653	/nfs/dbraw/zinc/44/56/53/971445653.db2.gz	UZUBSIZSMAZNNL-TVFCKZIOSA-N	1	0	358.486	1.678	20	30		FDEDRO
COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N	ZINC000844392098	948023389	/nfs/dbraw/zinc/02/33/89/948023389.db2.gz	GZZOXUZWYHBGFJ-RRFJBIMHSA-N	1	0	352.394	1.305	20	30		FDEDRO
COCCN1CC2(CC[NH+](Cc3cncc(C#N)c3)CC2)[C@H](COC)C1=O	ZINC001144080554	948201407	/nfs/dbraw/zinc/20/14/07/948201407.db2.gz	QJVUEOWXUFNJPV-GOSISDBHSA-N	1	0	372.469	1.287	20	30		FDEDRO
CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3ccc(C#N)cn3)CC[C@@H]21	ZINC001144160336	948304402	/nfs/dbraw/zinc/30/44/02/948304402.db2.gz	FYYQGMCUSWTUJO-HOJAQTOUSA-N	1	0	364.453	1.661	20	30		FDEDRO
N#C[C@@]1(F)CCN(CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2=O)C1	ZINC000844702834	948347596	/nfs/dbraw/zinc/34/75/96/948347596.db2.gz	OUFRACZNBFHMAS-BJLQDIEVSA-N	1	0	356.445	1.862	20	30		FDEDRO
C=CCN1CCN(CN2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)C1=O	ZINC000844733398	948374985	/nfs/dbraw/zinc/37/49/85/948374985.db2.gz	XFALKHPRKBQZEJ-WOJBJXKFSA-N	1	0	370.497	1.843	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)C1	ZINC000844862531	948439540	/nfs/dbraw/zinc/43/95/40/948439540.db2.gz	LRPLYOHMNNEVKY-OALUTQOASA-N	1	0	374.485	1.590	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1CCO[C@@H]2CN(c3snc(C)c3C#N)C[C@@H]21	ZINC001091049696	948652226	/nfs/dbraw/zinc/65/22/26/948652226.db2.gz	WXOCVNKWTDHIND-LSDHHAIUSA-N	1	0	363.487	1.081	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N1CCO[C@@H]2CN(c3cccc(F)c3C#N)C[C@@H]21	ZINC001091050411	948658678	/nfs/dbraw/zinc/65/86/78/948658678.db2.gz	BKQIZCZIYPSHHY-ZWKOTPCHSA-N	1	0	360.433	1.455	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@H]3OCCN(C(=O)C4(C[NH+](C)C)CC4)[C@H]3C2)n1	ZINC001091055869	948729284	/nfs/dbraw/zinc/72/92/84/948729284.db2.gz	AWIMLHJMIZCNQG-DLBZAZTESA-N	1	0	369.469	1.020	20	30		FDEDRO
C#CCN1CCN(C(=O)CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1	ZINC000775688666	971512130	/nfs/dbraw/zinc/51/21/30/971512130.db2.gz	IMXVZUKJLROPBV-CTNGQTDRSA-N	1	0	368.525	1.264	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573793705	949303692	/nfs/dbraw/zinc/30/36/92/949303692.db2.gz	WMBYFRQFRQZGIY-INIZCTEOSA-N	1	0	366.469	1.997	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)CN(CN3CC[NH+](CC4CC4)CC3)C2=O)cc1	ZINC000102390749	971590739	/nfs/dbraw/zinc/59/07/39/971590739.db2.gz	JTCLCTMNEIZOFL-UHFFFAOYSA-N	1	0	367.453	1.308	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C[NH+]2CCCC2)cc1	ZINC000845671058	949811635	/nfs/dbraw/zinc/81/16/35/949811635.db2.gz	FOTGCXOBPKPGKU-AWEZNQCLSA-N	1	0	352.456	1.792	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCOC[C@@H]3CCO)CC2)c1	ZINC000845742802	949875101	/nfs/dbraw/zinc/87/51/01/949875101.db2.gz	LREFRBBYUAQVIJ-IBGZPJMESA-N	1	0	372.469	1.315	20	30		FDEDRO
C#Cc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)c4cccn4C)CCO[C@@H]3C2)cc1	ZINC001144573383	949957040	/nfs/dbraw/zinc/95/70/40/949957040.db2.gz	IGCJXOUCUFQONJ-TZIWHRDSSA-N	1	0	363.461	1.979	20	30		FDEDRO
c1cnc2sc(N=NC3CC[NH+](CCN4CCOCC4)CC3)nc2c1	ZINC000857219425	971654561	/nfs/dbraw/zinc/65/45/61/971654561.db2.gz	GSDUVECVQHKZJW-UHFFFAOYSA-N	1	0	360.487	1.887	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	ZINC000857234050	971662942	/nfs/dbraw/zinc/66/29/42/971662942.db2.gz	FGHTXALWEGXBRA-SJLPKXTDSA-N	1	0	358.486	1.779	20	30		FDEDRO
C#C[C@H](C)N(C)CN1C(=O)NC2(CC[NH+](Cc3ccccc3)CC2)C1=O	ZINC000857234741	971663960	/nfs/dbraw/zinc/66/39/60/971663960.db2.gz	LZYCHBJWDYALLD-INIZCTEOSA-N	1	0	354.454	1.484	20	30		FDEDRO
C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1	ZINC001574995003	950498278	/nfs/dbraw/zinc/49/82/78/950498278.db2.gz	BXEMAGNSRNXAOL-LBPRGKRZSA-N	1	0	364.413	1.317	20	30		FDEDRO
CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H](C)Cc1cccc(C#N)c1)C2	ZINC001171212456	950517408	/nfs/dbraw/zinc/51/74/08/950517408.db2.gz	MYUUYDANPHLARY-NBHGPNQESA-N	1	0	371.481	1.875	20	30		FDEDRO
CN(CCC[N@H+](C)Cc1ccncc1)C(=O)[C@@H](O)c1ccc(C#N)cc1	ZINC000846170928	950601051	/nfs/dbraw/zinc/60/10/51/950601051.db2.gz	DEIOOYDKGPBFLC-IBGZPJMESA-N	1	0	352.438	1.967	20	30		FDEDRO
COCC[NH2+]C1CCN(C(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)CC1	ZINC000846320821	950918068	/nfs/dbraw/zinc/91/80/68/950918068.db2.gz	VOZRCSXUEYMXAO-CQSZACIVSA-N	1	0	374.441	1.143	20	30		FDEDRO
N#Cc1cnc(N2CC[C@@H]3CCN(C(=O)CCC[NH+]4CCCC4)C[C@@H]32)cn1	ZINC001091213262	950933088	/nfs/dbraw/zinc/93/30/88/950933088.db2.gz	HAJUVOYJMSNEGR-WMZOPIPTSA-N	1	0	368.485	1.651	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@@H]1CN(Cc2ccc3c(c2)OCCO3)C[C@H]1O	ZINC001196475232	971702621	/nfs/dbraw/zinc/70/26/21/971702621.db2.gz	QOOVYWGGUAPFAC-HZPDHXFCSA-N	1	0	360.454	1.721	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N2CC[C@H]3CCN(c4ncc(C#N)cc4F)[C@H]3C2)CC1	ZINC001091226301	951098287	/nfs/dbraw/zinc/09/82/87/951098287.db2.gz	NGIJDJSOTQYHJI-RDJZCZTQSA-N	1	0	371.460	1.861	20	30		FDEDRO
C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1	ZINC001571003827	951126707	/nfs/dbraw/zinc/12/67/07/951126707.db2.gz	BMSYOBYFTIROBA-CYBMUJFWSA-N	1	0	361.837	1.532	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC[C@@H]21	ZINC001571003912	951128881	/nfs/dbraw/zinc/12/88/81/951128881.db2.gz	DRVYGKSYZQQVBO-RISCZKNCSA-N	1	0	361.837	1.484	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2nnc(C(C)C)[nH]2)C1	ZINC001091278619	951296093	/nfs/dbraw/zinc/29/60/93/951296093.db2.gz	VCVHJTAIBHRMDO-NDTCATRNSA-N	1	0	361.490	1.894	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2ccn(C)c(=O)c2)C1	ZINC001091278611	951296376	/nfs/dbraw/zinc/29/63/76/951296376.db2.gz	USICBIWYYIBUCD-AKSNENBUSA-N	1	0	359.470	1.351	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)CCCn3cncn3)CC2)c1	ZINC000846611984	951375885	/nfs/dbraw/zinc/37/58/85/951375885.db2.gz	MNLAGLZNFWHVFJ-UHFFFAOYSA-N	1	0	352.442	1.711	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[C@]2(C)C[C@]2(F)Cl)CC1	ZINC000846727760	951499140	/nfs/dbraw/zinc/49/91/40/951499140.db2.gz	BPEVNQCRDBNLBN-IAGOWNOFSA-N	1	0	359.873	1.964	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NCCC[N@@H+](CC)C1CCCCC1)[C@H]1CCCO1	ZINC000846738993	951544827	/nfs/dbraw/zinc/54/48/27/951544827.db2.gz	NXNMDUINIAGQNJ-ZWKOTPCHSA-N	1	0	363.502	1.444	20	30		FDEDRO
CC#CC[N@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@H]3OCC[C@H]3CC)c2)C1	ZINC001091401405	951574675	/nfs/dbraw/zinc/57/46/75/951574675.db2.gz	YKGBOYOHOPSLKO-UXPWSPDFSA-N	1	0	371.481	1.989	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCC[C@](O)(C[NH+]2CCN(CCC#N)CC2)C1	ZINC000846837550	951642482	/nfs/dbraw/zinc/64/24/82/951642482.db2.gz	WUBLRDYVCONVOZ-SFHVURJKSA-N	1	0	352.479	1.280	20	30		FDEDRO
COc1cc(C(=O)N2CCN(c3cc[nH+]cc3OC)CC2)ccc1C#N	ZINC000846937980	951706445	/nfs/dbraw/zinc/70/64/45/951706445.db2.gz	MRMATMSYUDOBQF-UHFFFAOYSA-N	1	0	352.394	1.933	20	30		FDEDRO
C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1	ZINC001575099609	951837569	/nfs/dbraw/zinc/83/75/69/951837569.db2.gz	OBNHHAPKJWVXRJ-SNVBAGLBSA-N	1	0	370.442	1.284	20	30		FDEDRO
C[C@]12CN(C(=O)c3ccc(=O)[nH]n3)C[C@H]1C[N@H+](Cc1ccc(C#N)s1)C2	ZINC001091455730	951837817	/nfs/dbraw/zinc/83/78/17/951837817.db2.gz	JQQNZPIHIWCUQV-XIKOKIGWSA-N	1	0	369.450	1.709	20	30		FDEDRO
C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]Cc1ccc(C#N)s1	ZINC001575101465	951859515	/nfs/dbraw/zinc/85/95/15/951859515.db2.gz	FDPYYCBYHBQIGR-SNVBAGLBSA-N	1	0	370.442	1.284	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]1C[N@H+](Cc1ccc(F)c(C#N)c1)C2	ZINC001091538307	951967208	/nfs/dbraw/zinc/96/72/08/951967208.db2.gz	BHMCCEBDIJOOKX-MDYRTPRTSA-N	1	0	370.428	1.256	20	30		FDEDRO
C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)n1ccc([C@@H]2CCC[NH2+]2)nc1=N	ZINC001146223115	952001401	/nfs/dbraw/zinc/00/14/01/952001401.db2.gz	PLYRQHOPRVXUDZ-QHRIQVFBSA-N	1	0	373.457	1.897	20	30		FDEDRO
Cn1nccc1CC[N@@H+]1C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@]2(C)C1	ZINC001091574776	952113153	/nfs/dbraw/zinc/11/31/53/952113153.db2.gz	QIIFUHSZIVKKSY-BEFAXECRSA-N	1	0	352.442	1.256	20	30		FDEDRO
COc1ncccc1C[N@@H+]1C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@]2(C)C1	ZINC001091575609	952116405	/nfs/dbraw/zinc/11/64/05/952116405.db2.gz	ALOFLJQEJZHRPP-UZLBHIALSA-N	1	0	365.437	1.884	20	30		FDEDRO
Cc1cc(N[C@@H]2CC[C@H](CNC(=O)[C@@H](C3CC3)[NH+](C)C)C2)c(C#N)cn1	ZINC001091611033	952265696	/nfs/dbraw/zinc/26/56/96/952265696.db2.gz	GKLKRGPOBJUNSO-POZUXBRTSA-N	1	0	355.486	1.721	20	30		FDEDRO
Cn1ncc(C(=O)N2C[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@@]3(C)C2)c1N	ZINC001091616914	952313504	/nfs/dbraw/zinc/31/35/04/952313504.db2.gz	BXKKIWODWQOXEK-UZLBHIALSA-N	1	0	364.453	1.468	20	30		FDEDRO
N#Cc1ccc(N[C@@H]2CC[C@H](CNC(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)nn1	ZINC001091620644	952336149	/nfs/dbraw/zinc/33/61/49/952336149.db2.gz	BGCAWMZDJJHUGO-GMBSWORKSA-N	1	0	368.485	1.919	20	30		FDEDRO
CC(=O)N1CC(C(=O)N2C[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@@]3(C)C2)C1	ZINC001091627029	952377947	/nfs/dbraw/zinc/37/79/47/952377947.db2.gz	WEZBGSPITCAOFT-CTNGQTDRSA-N	1	0	366.465	1.317	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC(C)(C)C)C2	ZINC001147590572	952449055	/nfs/dbraw/zinc/44/90/55/952449055.db2.gz	PLTJJTGMAXTIEW-CVEARBPZSA-N	1	0	363.502	1.417	20	30		FDEDRO
Cn1cc(C(=O)N2C[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@@]3(C)C2)nn1	ZINC001091645432	952474592	/nfs/dbraw/zinc/47/45/92/952474592.db2.gz	IDLGFNDHMLLBFM-APWZRJJASA-N	1	0	350.426	1.281	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@@H+]1C[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@]2(C)C1	ZINC001091654615	952512487	/nfs/dbraw/zinc/51/24/87/952512487.db2.gz	MCDWQFPYOAJIOO-UZLBHIALSA-N	1	0	365.437	1.884	20	30		FDEDRO
Cn1ccc(CC(=O)N2C[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@@]3(C)C2)n1	ZINC001091664218	952538724	/nfs/dbraw/zinc/53/87/24/952538724.db2.gz	BFZCLECDHJLYIO-NQIIRXRSSA-N	1	0	363.465	1.815	20	30		FDEDRO
Cn1ccc(CC(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@@]3(C)C2)n1	ZINC001091664489	952540527	/nfs/dbraw/zinc/54/05/27/952540527.db2.gz	ONYHFODRQGINCC-NQIIRXRSSA-N	1	0	363.465	1.815	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1CNc1ccc(C#N)nc1	ZINC001091667024	952553217	/nfs/dbraw/zinc/55/32/17/952553217.db2.gz	DGAMPCIMINPOCP-CRAIPNDOSA-N	1	0	359.474	1.570	20	30		FDEDRO
C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@H]3CN(CC#N)C[C@@]3(C)C2)CC1	ZINC001091679920	952624608	/nfs/dbraw/zinc/62/46/08/952624608.db2.gz	QXDIRKVYNGEFFU-XSYGEPLQSA-N	1	0	360.502	1.037	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CN([C@@H](C)c3nnnn3C)C[C@@]2(C)C1	ZINC001091701741	952669161	/nfs/dbraw/zinc/66/91/61/952669161.db2.gz	FUSBENSOHVDOOB-PPHDSNJXSA-N	1	0	366.897	1.830	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CC[C@@H](C)O3)C2)C1	ZINC001148311227	952680138	/nfs/dbraw/zinc/68/01/38/952680138.db2.gz	ZWOZYESRPXNQDW-IAGOWNOFSA-N	1	0	361.486	1.289	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CC(=O)NC(C)(C)C)C2	ZINC001148424435	952727736	/nfs/dbraw/zinc/72/77/36/952727736.db2.gz	MDSJIZCOWZUGMJ-RDJZCZTQSA-N	1	0	363.502	1.417	20	30		FDEDRO
C[C@]12CN(C(=O)C[C@H]3CCNC3=O)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001091734648	952761256	/nfs/dbraw/zinc/76/12/56/952761256.db2.gz	ZGJDTZOVDRTBNE-OPYAIIAOSA-N	1	0	366.465	1.365	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3c3ccnn3CC)C[C@]2(C)C1	ZINC001091754286	952814882	/nfs/dbraw/zinc/81/48/82/952814882.db2.gz	NAXCJZBUGJTRHS-ZJSJBZJDSA-N	1	0	370.497	1.784	20	30		FDEDRO
C=C(Cl)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNC(=O)c1cnccn1)C2	ZINC001110122402	952851074	/nfs/dbraw/zinc/85/10/74/952851074.db2.gz	LEYBFUVDFIOXAP-IPYPFGDCSA-N	1	0	363.849	1.071	20	30		FDEDRO
COc1c(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)cnn1C	ZINC001086863487	952887822	/nfs/dbraw/zinc/88/78/22/952887822.db2.gz	ALAWZVLHYRNCCW-WMLDXEAASA-N	1	0	367.453	1.989	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCCN3C(N)=O)C2)cc1	ZINC001086888886	952943545	/nfs/dbraw/zinc/94/35/45/952943545.db2.gz	TWUHFZZXLHFOTR-KSZLIROESA-N	1	0	369.469	1.476	20	30		FDEDRO
COCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001086959939	952956361	/nfs/dbraw/zinc/95/63/61/952956361.db2.gz	ZLPIFGQPOQIDBM-ZWKOTPCHSA-N	1	0	353.426	1.022	20	30		FDEDRO
Cc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2c2cnn(C)c2)c(C)n1	ZINC001086970666	952972352	/nfs/dbraw/zinc/97/23/52/952972352.db2.gz	DBAHZGODZYNJGS-ZNZDAUKMSA-N	1	0	366.469	1.676	20	30		FDEDRO
CCc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1c1cnn(C)c1	ZINC001086970740	952972374	/nfs/dbraw/zinc/97/23/74/952972374.db2.gz	GNVLJUMEAYTLJN-ULFGMLNVSA-N	1	0	370.457	1.523	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001086971385	952974429	/nfs/dbraw/zinc/97/44/29/952974429.db2.gz	MEZBWCCNCFKISE-ZOCIIQOWSA-N	1	0	362.437	1.536	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2[NH2+]CC[C@H]2CCOC2)cn1	ZINC001086978074	952989404	/nfs/dbraw/zinc/98/94/04/952989404.db2.gz	CHRRAISGSYTTNC-YTQUADARSA-N	1	0	356.470	1.144	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnn(C3CCC3)c2)C[C@H]1c1cnn(C)c1	ZINC001086979046	952991779	/nfs/dbraw/zinc/99/17/79/952991779.db2.gz	GIXIEXKJGZZNBI-ZWKOTPCHSA-N	1	0	354.458	1.725	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(CC(C)C)n2)C[C@H]1c1cnn(C)c1	ZINC001086979044	952991811	/nfs/dbraw/zinc/99/18/11/952991811.db2.gz	GDGZUMKBCLDZBD-DOTOQJQBSA-N	1	0	354.458	1.173	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3n[nH]cc32)C[C@H]1c1cnn(C)c1	ZINC001086979228	952992237	/nfs/dbraw/zinc/99/22/37/952992237.db2.gz	PWEUXSMGKGUXEW-UWWQBHOKSA-N	1	0	354.458	1.333	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)CCC3)C[C@H]1c1cnn(C)c1	ZINC001086979628	952993632	/nfs/dbraw/zinc/99/36/32/952993632.db2.gz	JXWGRBKTRPYQMB-JKSUJKDBSA-N	1	0	354.458	1.337	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3nccn32)C[C@H]1c1cnn(C)c1	ZINC001086982241	952994949	/nfs/dbraw/zinc/99/49/49/952994949.db2.gz	AOBDLSREBQQYOD-KSZLIROESA-N	1	0	368.485	1.654	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2CC)C[C@H]1c1cnn(C)c1	ZINC001086983396	952996861	/nfs/dbraw/zinc/99/68/61/952996861.db2.gz	MTVAASXDSSPVSE-MAUKXSAKSA-N	1	0	356.474	1.490	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cncc3C2)C[C@H]1c1cnn(C)c1	ZINC001086984911	952999866	/nfs/dbraw/zinc/99/98/66/952999866.db2.gz	JSKBSMPLXWORFQ-AYOQOUSVSA-N	1	0	368.485	1.339	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cccc(CC)c2)C[C@H]1c1cnn(C)c1	ZINC001086984823	952999881	/nfs/dbraw/zinc/99/98/81/952999881.db2.gz	GCWVLLKBQFDEKA-VQTJNVASSA-N	1	0	350.466	1.742	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2cncc(C)c2)C[C@H]1c1cnn(C)c1	ZINC001086986882	953007865	/nfs/dbraw/zinc/00/78/65/953007865.db2.gz	OAUUYYYCKNJPHF-RBUKOAKNSA-N	1	0	351.454	1.274	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2nnc3ccccc3n2)C[C@H]1c1cnn(C)c1	ZINC001086987614	953010684	/nfs/dbraw/zinc/01/06/84/953010684.db2.gz	CCZREBYHEIMBQO-WMLDXEAASA-N	1	0	363.425	1.142	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(CC)nnc2C)C[C@H]1c1cnn(C)c1	ZINC001086989134	953013746	/nfs/dbraw/zinc/01/37/46/953013746.db2.gz	KGYAPDQNMQMZSO-RBUKOAKNSA-N	1	0	368.485	1.855	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2ccc3c(c2)CCO3)C[C@H]1c1cnn(C)c1	ZINC001086989544	953014978	/nfs/dbraw/zinc/01/49/78/953014978.db2.gz	GTPBUJGJQZMWGE-RBUKOAKNSA-N	1	0	366.465	1.668	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccn(C(F)F)n2)C[C@H]1c1cnn(C)c1	ZINC001086981013	953031680	/nfs/dbraw/zinc/03/16/80/953031680.db2.gz	JNPACFXUVOCZQR-DZGCQCFKSA-N	1	0	364.400	1.786	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(OCC)nc2)C[C@H]1c1cnn(C)c1	ZINC001086981461	953033046	/nfs/dbraw/zinc/03/30/46/953033046.db2.gz	KEIWEFBIQZZIDT-DLBZAZTESA-N	1	0	355.442	1.598	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC(F)(F)C2)C[C@H]1c1cnn(C)c1	ZINC001086996383	953037104	/nfs/dbraw/zinc/03/71/04/953037104.db2.gz	BLNHGCIMXWRBGQ-VNQPRFMTSA-N	1	0	350.413	1.763	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)COc2cccc(OC)c2)C[C@H]1c1cnn(C)c1	ZINC001086998419	953042387	/nfs/dbraw/zinc/04/23/87/953042387.db2.gz	JRFQBXIMIBUALA-RBUKOAKNSA-N	1	0	370.453	1.578	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)OC2CCCC2)C[C@H]1c1cnn(C)c1	ZINC001086999501	953047438	/nfs/dbraw/zinc/04/74/38/953047438.db2.gz	IWYSBFDDIOSOJQ-IPMKNSEASA-N	1	0	358.486	1.675	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2csc(C)n2)C[C@H]1c1cnn(C)c1	ZINC001087000356	953050224	/nfs/dbraw/zinc/05/02/24/953050224.db2.gz	RWGCMJPCFUSZRK-DLBZAZTESA-N	1	0	357.483	1.335	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(C)nn(CCC)c2C)C[C@H]1c1cnn(C)c1	ZINC001087004755	953063162	/nfs/dbraw/zinc/06/31/62/953063162.db2.gz	RQYITMDOPITGCE-ZWKOTPCHSA-N	1	0	368.485	1.474	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(CC(C)C)c[nH]2)C[C@H]1c1cnn(C)c1	ZINC001087005981	953089099	/nfs/dbraw/zinc/08/90/99/953089099.db2.gz	BXAAOYJKDMXPTH-PKOBYXMFSA-N	1	0	353.470	1.778	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2c(OC)cc[nH]c2=O)C[C@H]1c1cnn(C)c1	ZINC001087006279	953090153	/nfs/dbraw/zinc/09/01/53/953090153.db2.gz	SKEFAVVRCFMKMY-LSDHHAIUSA-N	1	0	371.441	1.303	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(OC)cc2)C[C@H]1c1cnn(C)c1	ZINC001087007300	953092459	/nfs/dbraw/zinc/09/24/59/953092459.db2.gz	YFLALFBMILDVDQ-RBUKOAKNSA-N	1	0	354.454	1.741	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cn3ccccc3n2)C[C@H]1c1cnn(C)c1	ZINC001087008137	953094903	/nfs/dbraw/zinc/09/49/03/953094903.db2.gz	OWTOZDCKFIBEEQ-DLBZAZTESA-N	1	0	364.453	1.842	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cccc(OC)c2)C[C@H]1c1cnn(C)c1	ZINC001087011145	953103512	/nfs/dbraw/zinc/10/35/12/953103512.db2.gz	HHBKBEOTIUKWON-UIAACRFSSA-N	1	0	366.465	1.750	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cnn(C)c2)C[C@H]1c1cnn(C)c1	ZINC001087012078	953105654	/nfs/dbraw/zinc/10/56/54/953105654.db2.gz	DGRZZTVPZASMLN-FHLIZLRMSA-N	1	0	356.474	1.417	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cnn(C)c2)C[C@H]1c1cnn(C)c1	ZINC001087012079	953105741	/nfs/dbraw/zinc/10/57/41/953105741.db2.gz	DGRZZTVPZASMLN-JCGIZDLHSA-N	1	0	356.474	1.417	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001087029132	953119519	/nfs/dbraw/zinc/11/95/19/953119519.db2.gz	IRXZFHFPBGSDCL-CRAIPNDOSA-N	1	0	371.416	1.687	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)OC)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001087031550	953128390	/nfs/dbraw/zinc/12/83/90/953128390.db2.gz	GGLGTHVVOBHTJU-XJKCOSOUSA-N	1	0	351.472	1.608	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](CC)OC)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087033428	953134413	/nfs/dbraw/zinc/13/44/13/953134413.db2.gz	QXRRFLOYQUHIQR-GUDVDZBRSA-N	1	0	359.470	1.936	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1ccnc(N(C)C)c1	ZINC001087036000	953146120	/nfs/dbraw/zinc/14/61/20/953146120.db2.gz	VAMWAQCHZHHQBP-DJIMGWMZSA-N	1	0	359.474	1.260	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C=C3CCC3)C[C@H]2OCC)C1=O	ZINC001087043408	953165354	/nfs/dbraw/zinc/16/53/54/953165354.db2.gz	OCOUKNZGZNOJIS-FGTMMUONSA-N	1	0	361.486	1.337	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087052811	953184343	/nfs/dbraw/zinc/18/43/43/953184343.db2.gz	MILPJOHKGQUJJZ-IAGOWNOFSA-N	1	0	353.426	1.548	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1cn(C(C)C)nn1	ZINC001087053174	953185369	/nfs/dbraw/zinc/18/53/69/953185369.db2.gz	AVHQBLCBRYIHMF-SJLPKXTDSA-N	1	0	359.474	1.226	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H]2CCCN(C)C2=O)[C@H](OCC)C1	ZINC001087071484	953225870	/nfs/dbraw/zinc/22/58/70/953225870.db2.gz	SAYSIVZZLXZIGP-BRWVUGGUSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C(C)C)[C@H](OCC)C1	ZINC001087072735	953227402	/nfs/dbraw/zinc/22/74/02/953227402.db2.gz	XHOYXTOYAKITMJ-HUUCEWRRSA-N	1	0	364.494	1.419	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C3(C)CCC3)C[C@H]2OCC)C1=O	ZINC001087073838	953229022	/nfs/dbraw/zinc/22/90/22/953229022.db2.gz	QAKWANXJRNYXKG-BRWVUGGUSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]C[C@H]3CCCCO3)[C@H](OCC)C2)c1	ZINC001087082521	953240982	/nfs/dbraw/zinc/24/09/82/953240982.db2.gz	PDECFSLUSLUNFL-VAMGGRTRSA-N	1	0	371.481	1.699	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]CC3CCCC3)[C@H](OCC)C2)nn1	ZINC001087090180	953253809	/nfs/dbraw/zinc/25/38/09/953253809.db2.gz	ZCRCQSRZNWEZLS-SJLPKXTDSA-N	1	0	361.490	1.721	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087094098	953260769	/nfs/dbraw/zinc/26/07/69/953260769.db2.gz	RCOOMZZQSMEDIV-QZTJIDSGSA-N	1	0	367.453	1.477	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CC/C=C/c3ccccc3)C[C@H]2O)nn1	ZINC001196757077	971911887	/nfs/dbraw/zinc/91/18/87/971911887.db2.gz	CPLLTGLLRUYABN-LVJUENIKSA-N	1	0	367.453	1.343	20	30		FDEDRO
C[C@]12CN(C(=O)c3cnc[nH]c3=O)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001091770614	953293993	/nfs/dbraw/zinc/29/39/93/953293993.db2.gz	FNJLEBALSDBOBU-UZLBHIALSA-N	1	0	363.421	1.648	20	30		FDEDRO
C[C@]12CN(C(=O)c3cnc[nH]c3=O)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001091770852	953294540	/nfs/dbraw/zinc/29/45/40/953294540.db2.gz	NGCKUHMQRJCATF-UTKZUKDTSA-N	1	0	362.433	1.628	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C3CC4(C3)CS(=O)(=O)C4)C[C@]2(C)C1	ZINC001091784085	953300987	/nfs/dbraw/zinc/30/09/87/953300987.db2.gz	OVBHWUPSXMWAIN-WBVHZDCISA-N	1	0	352.500	1.168	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc4c(c3)N(C)CCO4)C[C@]2(C)C1	ZINC001091784338	953301331	/nfs/dbraw/zinc/30/13/31/953301331.db2.gz	XMOONKQJOHRSGG-UTKZUKDTSA-N	1	0	353.466	1.932	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)CCN1c1ccncc1C#N	ZINC001091784749	953301830	/nfs/dbraw/zinc/30/18/30/953301830.db2.gz	RMHPAAWNQOMGFY-RYQLBKOJSA-N	1	0	371.485	1.395	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@H](NC(=O)C[NH+](CC)CC)[C@H]2CC)n1	ZINC001091786817	953305462	/nfs/dbraw/zinc/30/54/62/953305462.db2.gz	TZRAKVHTLKWZRZ-JKSUJKDBSA-N	1	0	358.490	1.726	20	30		FDEDRO
C[C@]12CN(C(=O)c3cn[nH]n3)C[C@H]1C[N@H+](CC#Cc1ccc(Cl)cc1)C2	ZINC001091810514	953344408	/nfs/dbraw/zinc/34/44/08/953344408.db2.gz	XSGUGISOGWBZAY-BEFAXECRSA-N	1	0	369.856	1.904	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cnc4cc(OC)ccn43)C[C@]2(C)C1	ZINC001091853649	953416311	/nfs/dbraw/zinc/41/63/11/953416311.db2.gz	RFONAJBFJCRVKK-QRWLVFNGSA-N	1	0	352.438	1.760	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]2CC)n1	ZINC001091818756	953473467	/nfs/dbraw/zinc/47/34/67/953473467.db2.gz	QMSVDYVUHBJZRW-JKSUJKDBSA-N	1	0	358.490	1.726	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3COCCN3CC3CCC3)C[C@]2(C)C1	ZINC001091883830	953521354	/nfs/dbraw/zinc/52/13/54/953521354.db2.gz	YOWVIOFREPQURC-DYXWJJEUSA-N	1	0	359.514	1.291	20	30		FDEDRO
Cc1nc(N2CC[C@@H]3CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]3C2)ccc1C#N	ZINC001091855392	953553418	/nfs/dbraw/zinc/55/34/18/953553418.db2.gz	XQTXFVREWAHAKL-MSOLQXFVSA-N	1	0	355.486	1.887	20	30		FDEDRO
C[C@]12CN(C(=O)C3(C(N)=O)CC3)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001091970608	953770756	/nfs/dbraw/zinc/77/07/56/953770756.db2.gz	UXHWLGRYHIBVBI-APWZRJJASA-N	1	0	352.438	1.104	20	30		FDEDRO
C[N@@H+]1C[C@H](C(=O)N2C[C@H]3CN(CC#N)C[C@@]3(C)C2)[C@@H](c2ccccc2)C1	ZINC001092035520	953996048	/nfs/dbraw/zinc/99/60/48/953996048.db2.gz	YGNLDDYDSFJZMH-BNDYYXHWSA-N	1	0	352.482	1.636	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]1C[N@H+](Cc1cc(C#N)ccc1F)C2	ZINC001092017203	954071678	/nfs/dbraw/zinc/07/16/78/954071678.db2.gz	GJANOPNGMCGKAY-DICRZQGBSA-N	1	0	370.428	1.099	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CCN1c1ccc(C#N)nc1	ZINC001092025654	954109282	/nfs/dbraw/zinc/10/92/82/954109282.db2.gz	YDMPLTPDZYTVKR-BEFAXECRSA-N	1	0	364.453	1.958	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCc3cnn(C)c3)C[C@@]2(C)C1	ZINC001092030409	954129869	/nfs/dbraw/zinc/12/98/69/954129869.db2.gz	YWZZWNCFTRCJCW-XSYGEPLQSA-N	1	0	358.486	1.334	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCn3cccn3)C[C@@]2(C)C1	ZINC001092088348	954243338	/nfs/dbraw/zinc/24/33/38/954243338.db2.gz	CSBGTGMZMAGBCG-LXZJYRNTSA-N	1	0	358.486	1.645	20	30		FDEDRO
Cn1ncc(C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@@]3(C)C2)n1	ZINC001092095913	954278913	/nfs/dbraw/zinc/27/89/13/954278913.db2.gz	ZDOGMRNMNXANGQ-APWZRJJASA-N	1	0	350.426	1.281	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3cn4nc(C)cc4[nH]c3=O)C[C@]2(C)C1	ZINC001092098193	954292203	/nfs/dbraw/zinc/29/22/03/954292203.db2.gz	QNYQOTPSGRIOGX-KUHUBIRLSA-N	1	0	355.442	1.301	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3cccc(OC)c23)C1	ZINC001196954247	972008189	/nfs/dbraw/zinc/00/81/89/972008189.db2.gz	VAZJRUZDRCWJLE-FVQBIDKESA-N	1	0	358.442	1.473	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3cn(C[C@H]4CCOC4)nn3)C[C@]2(C)C1	ZINC001092151670	954404730	/nfs/dbraw/zinc/40/47/30/954404730.db2.gz	PSRORFNSPAWRFV-MDZRGWNJSA-N	1	0	359.474	1.285	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4nocc4C)C[C@]3(C)C2)C1=O	ZINC001092178002	954466661	/nfs/dbraw/zinc/46/66/61/954466661.db2.gz	QMPAJRZDUMMJTM-VCBZYWHSSA-N	1	0	358.442	1.164	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)C(C4CC4)C4CC4)C[C@]3(C)C2)C1=O	ZINC001092185463	954483203	/nfs/dbraw/zinc/48/32/03/954483203.db2.gz	UPIDGXDDATXSET-FGSXEWAUSA-N	1	0	371.525	1.990	20	30		FDEDRO
Cn1cncc1CC(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@]2(C)C1	ZINC001092200258	954521930	/nfs/dbraw/zinc/52/19/30/954521930.db2.gz	GSFHBSDGDZEHHI-KUHUBIRLSA-N	1	0	369.494	1.876	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@H]2C[N@@H+](C[C@H](C)OC)C[C@@]2(C)C1	ZINC001092211040	954617448	/nfs/dbraw/zinc/61/74/48/954617448.db2.gz	XZIVMEVPRSBWJY-YRNRMSPPSA-N	1	0	357.454	1.522	20	30		FDEDRO
Cn1ccc(C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@@]3(C)C2)n1	ZINC001092275254	954667128	/nfs/dbraw/zinc/66/71/28/954667128.db2.gz	VUWNUAXXJVQCPJ-ACJLOTCBSA-N	1	0	355.467	1.947	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cccn4CC)C[C@]3(C)C2)C1=O	ZINC001092279333	954685979	/nfs/dbraw/zinc/68/59/79/954685979.db2.gz	TVRNMFNTOLFSAV-MMOPVJDHSA-N	1	0	370.497	1.689	20	30		FDEDRO
C[N@H+](CC(=O)N1C[C@H]2CN(c3cnc(C#N)cn3)C[C@@]2(C)C1)CC(C)(C)C	ZINC001092307530	954775783	/nfs/dbraw/zinc/77/57/83/954775783.db2.gz	ZSOPGJQCJBJROW-QRWLVFNGSA-N	1	0	370.501	1.611	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2C[C@H]3C[N@H+](CC(N)=O)C[C@@]3(C)C2)cc1	ZINC001092308779	954780500	/nfs/dbraw/zinc/78/05/00/954780500.db2.gz	YVWBDAWZINBYFK-UZLBHIALSA-N	1	0	357.454	1.060	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1C[C@H]2CN(c3ccc(C#N)nn3)C[C@@]2(C)C1	ZINC001092293449	954899916	/nfs/dbraw/zinc/89/99/16/954899916.db2.gz	IVDGEBGEWGSUDI-BEFAXECRSA-N	1	0	356.474	1.365	20	30		FDEDRO
C[C@@H](C(=O)NC[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C)[NH+]1CCCCCC1	ZINC001092404889	955025757	/nfs/dbraw/zinc/02/57/57/955025757.db2.gz	FCWYUBXYEPXUGF-IXDOHACOSA-N	1	0	370.501	1.801	20	30		FDEDRO
C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)c1nccn12	ZINC001092374597	955049821	/nfs/dbraw/zinc/04/98/21/955049821.db2.gz	OKKCBBOLFPPCPQ-OAGGEKHMSA-N	1	0	366.469	1.948	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3ccccc3F)[C@H](C)C2)C1=O	ZINC001092435082	955090345	/nfs/dbraw/zinc/09/03/45/955090345.db2.gz	BASFWJALMDBQDU-RKVPGOIHSA-N	1	0	359.445	1.910	20	30		FDEDRO
CC[C@@H](C(=O)NC[C@@H]1CN(c2nccnc2C#N)C[C@H]1C)[NH+](CC)CC	ZINC001092442455	955109001	/nfs/dbraw/zinc/10/90/01/955109001.db2.gz	RPKWAWYZEUDGAX-INMHGKMJSA-N	1	0	358.490	1.657	20	30		FDEDRO
CC[C@H](C(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C)[NH+](CC)CC	ZINC001092442675	955109104	/nfs/dbraw/zinc/10/91/04/955109104.db2.gz	WNDQTLNNJKKPBR-BFYDXBDKSA-N	1	0	358.490	1.657	20	30		FDEDRO
Cc1nc(N2C[C@@H](CNC(=O)C[N@@H+]3CCC[C@H]3C)[C@H](C)C2)ccc1C#N	ZINC001092444611	955116570	/nfs/dbraw/zinc/11/65/70/955116570.db2.gz	GEAWHIZPDZPJQB-IIDMSEBBSA-N	1	0	355.486	1.935	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3cc(C)oc3C)[C@H](C)C2)C1=O	ZINC001092459702	955181487	/nfs/dbraw/zinc/18/14/87/955181487.db2.gz	QXAUCBUVLKHJLK-MZMPZRCHSA-N	1	0	359.470	1.981	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)[C@H]1COCCO1	ZINC001092469312	955201600	/nfs/dbraw/zinc/20/16/00/955201600.db2.gz	AASIKVMYDXWCCO-MZMPZRCHSA-N	1	0	361.417	1.297	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)[C@@H]1COCCO1	ZINC001092469574	955203080	/nfs/dbraw/zinc/20/30/80/955203080.db2.gz	DVAVIAGHQPNMFF-SUMDDJOVSA-N	1	0	360.429	1.277	20	30		FDEDRO
NC(=NOCC(=O)NC1CCOCC1)c1cccc(C[NH+]2CCCCC2)c1	ZINC000102766927	972082270	/nfs/dbraw/zinc/08/22/70/972082270.db2.gz	HEQWEBSIWWEVIM-UHFFFAOYSA-N	1	0	374.485	1.605	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3CCOC3)[C@H](C)C2)cc1C#N	ZINC001092491968	955346381	/nfs/dbraw/zinc/34/63/81/955346381.db2.gz	KXCZDLDXAUWXTB-UWWQBHOKSA-N	1	0	357.454	1.787	20	30		FDEDRO
COc1ncc(C[N@H+]2C[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)c(C)n1	ZINC001092551290	955403109	/nfs/dbraw/zinc/40/31/09/955403109.db2.gz	VOWVBJCEOHQOTR-TZMCWYRMSA-N	1	0	368.441	1.491	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@@H]1CCNC(=O)C1	ZINC001092537108	955519949	/nfs/dbraw/zinc/51/99/49/955519949.db2.gz	VHWGTSGXHVDIJT-ZTFGCOKTSA-N	1	0	354.454	1.269	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CCNC(=O)[C@@H]1CCCC[N@@H+]1C	ZINC001092571507	955680747	/nfs/dbraw/zinc/68/07/47/955680747.db2.gz	YHGGPPVHODXVED-INMHGKMJSA-N	1	0	356.474	1.411	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3c(C)coc3C)[C@H](C)C2)C1=O	ZINC001092582975	955726561	/nfs/dbraw/zinc/72/65/61/955726561.db2.gz	BMUDLHWYRHJLTI-XYPHTWIQSA-N	1	0	359.470	1.981	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1CNc1cncc(C#N)n1	ZINC001092653079	955752071	/nfs/dbraw/zinc/75/20/71/955752071.db2.gz	OGPNOMRAUCDZCR-HZPDHXFCSA-N	1	0	356.474	1.731	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3cc(C)nc(C)c3)[C@H](C)C2)C1=O	ZINC001092640905	955761088	/nfs/dbraw/zinc/76/10/88/955761088.db2.gz	AWCHZJSROPXVEN-NIKGAXFTSA-N	1	0	370.497	1.783	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)[C@H]1C[C@@H](C)CC(=O)N1	ZINC001092614549	955819121	/nfs/dbraw/zinc/81/91/21/955819121.db2.gz	IRLDTKUDCOTWOD-VMUDFCTBSA-N	1	0	374.510	1.719	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1C	ZINC001092617278	955829569	/nfs/dbraw/zinc/82/95/69/955829569.db2.gz	IMUFCSUZKYGVIB-RWQQGDIJSA-N	1	0	360.502	1.628	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@@H]1C[N@H+](Cc2cnnn2CC)C[C@H]1C	ZINC001092677301	955993518	/nfs/dbraw/zinc/99/35/18/955993518.db2.gz	AXWVEMBLUJTCMR-HZPDHXFCSA-N	1	0	356.474	1.783	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)c1cc(=O)n(C)cn1	ZINC001092693441	956051736	/nfs/dbraw/zinc/05/17/36/956051736.db2.gz	SGPXWTXJVUNJQV-RHSMWYFYSA-N	1	0	365.437	1.150	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C	ZINC001092699970	956085908	/nfs/dbraw/zinc/08/59/08/956085908.db2.gz	YMHPNKCVHCJXQO-MLGOLLRUSA-N	1	0	353.426	1.793	20	30		FDEDRO
C[NH+](C)CCCCC(=O)NC[C@]12CCC[C@H]1N(c1ccc(C#N)nn1)CC2	ZINC001092701284	956093912	/nfs/dbraw/zinc/09/39/12/956093912.db2.gz	XWBFKUAXMZQFAE-YLJYHZDGSA-N	1	0	370.501	1.945	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)c1cn[nH]c(=O)c1	ZINC001092702606	956100665	/nfs/dbraw/zinc/10/06/65/956100665.db2.gz	ICNIPSVCNBFCLJ-RHSMWYFYSA-N	1	0	368.412	1.671	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)c1cn[nH]c(=O)c1	ZINC001092702720	956102016	/nfs/dbraw/zinc/10/20/16/956102016.db2.gz	NROPAPACTHQVOG-CRAIPNDOSA-N	1	0	350.422	1.532	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1N(c1ccnc(C#N)n1)CC2	ZINC001092708591	956135181	/nfs/dbraw/zinc/13/51/81/956135181.db2.gz	GBQZNUGLFGKWCF-FOIQADDNSA-N	1	0	370.501	1.944	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)c1cnc[nH]c1=O	ZINC001092711297	956143740	/nfs/dbraw/zinc/14/37/40/956143740.db2.gz	RYEAKRDCNLJAAL-IUODEOHRSA-N	1	0	369.400	1.691	20	30		FDEDRO
C[NH+](C)CCCC(=O)NC[C@]12CCC[C@H]1N(c1nccnc1C#N)CC2	ZINC001092713592	956155893	/nfs/dbraw/zinc/15/58/93/956155893.db2.gz	AXZVWDIQYHOPOQ-VQIMIIECSA-N	1	0	356.474	1.555	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)NC[C@]23CCC[C@H]2N(c2ccnc(C#N)n2)CC3)C1	ZINC001092714878	956161231	/nfs/dbraw/zinc/16/12/31/956161231.db2.gz	LTUURALZSRYSSC-JXXFODFXSA-N	1	0	368.485	1.555	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)NC[C@]23CCC[C@H]2N(c2cnc(C#N)cn2)CC3)C1	ZINC001092715083	956162364	/nfs/dbraw/zinc/16/23/64/956162364.db2.gz	OJKWZYZRGOTOCR-WRWLIDTKSA-N	1	0	368.485	1.555	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC001092725619	956186503	/nfs/dbraw/zinc/18/65/03/956186503.db2.gz	SQTQDRUUTZEDHY-XNFNUYLZSA-N	1	0	370.497	1.461	20	30		FDEDRO
C=CCOc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@@H](C)C(=O)NC)C[C@H]2C)cc1	ZINC001092740470	956237540	/nfs/dbraw/zinc/23/75/40/956237540.db2.gz	NPRVMAZSMUEPSW-HLLBOEOZSA-N	1	0	359.470	1.684	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)c1cncn1C	ZINC001092788717	956325458	/nfs/dbraw/zinc/32/54/58/956325458.db2.gz	ZDUFUJFHYSDHFG-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)c2ccc(OCC(N)=O)cc2)[C@H](C)C1	ZINC001092798336	956347586	/nfs/dbraw/zinc/34/75/86/956347586.db2.gz	BPJFFYNCBXEPGG-NVXWUHKLSA-N	1	0	359.470	1.815	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(OCC(N)=O)cc2)[C@H](C)C1	ZINC001092798728	956349181	/nfs/dbraw/zinc/34/91/81/956349181.db2.gz	JXBVJSLYECTBHA-IUODEOHRSA-N	1	0	365.861	1.601	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)c2ccccc2OCC(N)=O)[C@H](C)C1	ZINC001092802061	956357636	/nfs/dbraw/zinc/35/76/36/956357636.db2.gz	MIAHMSMLPDMFFD-HZPDHXFCSA-N	1	0	359.470	1.815	20	30		FDEDRO
C#CCC1(O)CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1	ZINC001197264892	972180015	/nfs/dbraw/zinc/18/00/15/972180015.db2.gz	PDTOVQLUEPRFQX-UHFFFAOYSA-N	1	0	361.398	1.782	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nc1	ZINC001092837646	956451068	/nfs/dbraw/zinc/45/10/68/956451068.db2.gz	SNXQARQCPVGBKG-JZGRTCEGSA-N	1	0	369.469	1.147	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3ncc(C)cc3C)[C@H](C)C2)C1=O	ZINC001092844070	956475944	/nfs/dbraw/zinc/47/59/44/956475944.db2.gz	OHIXCQLXDRBUKQ-KURKYZTESA-N	1	0	370.497	1.783	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCn3nc(C)nc3C)C[C@H]2C)cc1	ZINC001092875089	956618404	/nfs/dbraw/zinc/61/84/04/956618404.db2.gz	OHCZDAWWBCXRRA-FOIQADDNSA-N	1	0	365.481	1.874	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2ccsc2)C1	ZINC001197327030	972208375	/nfs/dbraw/zinc/20/83/75/972208375.db2.gz	MMIPLQDWYPUSKR-HUUCEWRRSA-N	1	0	362.455	1.116	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1	ZINC001092888324	956798109	/nfs/dbraw/zinc/79/81/09/956798109.db2.gz	WQWNQWKVNDVFTM-WCVJEAGWSA-N	1	0	360.437	1.254	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@H]1CCN(C)C1=O	ZINC001092896957	956824590	/nfs/dbraw/zinc/82/45/90/956824590.db2.gz	BHPOZRAWTQRDDE-ZTFGCOKTSA-N	1	0	354.454	1.221	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1C	ZINC001092977876	956976106	/nfs/dbraw/zinc/97/61/06/956976106.db2.gz	NJUWDBHYMZPSSJ-PILAGYSTSA-N	1	0	361.490	1.170	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)[C@H](C)C1	ZINC001092965525	956999532	/nfs/dbraw/zinc/99/95/32/956999532.db2.gz	HZWRDDMXCCQPGU-NGFQHRJXSA-N	1	0	357.882	1.059	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2cc(C)c(C(N)=O)cn2)[C@H](C)C1	ZINC001092985064	957031527	/nfs/dbraw/zinc/03/15/27/957031527.db2.gz	AJMPNIPVHUQPOK-DGCLKSJQSA-N	1	0	350.850	1.539	20	30		FDEDRO
CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1)C(C)C	ZINC001092998955	957098040	/nfs/dbraw/zinc/09/80/40/957098040.db2.gz	DINQABPNEOCJND-VXNCWWDNSA-N	1	0	370.501	1.941	20	30		FDEDRO
C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1)CC(C)(C)C	ZINC001093046935	957212287	/nfs/dbraw/zinc/21/22/87/957212287.db2.gz	HDVLONBBHBQJNO-OAGGEKHMSA-N	1	0	356.474	1.552	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3cc(C)n(C)n3)C[C@H]2C)nn1	ZINC001093035236	957253767	/nfs/dbraw/zinc/25/37/67/957253767.db2.gz	UAMZGGUEIFSVOI-UKRRQHHQSA-N	1	0	357.462	1.004	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3cnccc3C)C[C@H]2C)nn1	ZINC001093035341	957253820	/nfs/dbraw/zinc/25/38/20/957253820.db2.gz	YSRYFQWVMXIUBV-NVXWUHKLSA-N	1	0	354.458	1.665	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(c1cnc(C#N)cn1)C2	ZINC001093092027	957539794	/nfs/dbraw/zinc/53/97/94/957539794.db2.gz	ZOBBFTIYGCPZSP-KXBFYZLASA-N	1	0	356.474	1.555	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(CNc2ccncc2C#N)C1	ZINC001093124922	957590649	/nfs/dbraw/zinc/59/06/49/957590649.db2.gz	SOCWISLCXLMMTJ-PXNSSMCTSA-N	1	0	355.486	1.758	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1C	ZINC001093138372	957632429	/nfs/dbraw/zinc/63/24/29/957632429.db2.gz	YXJVHGVDGQWAHB-KURKYZTESA-N	1	0	371.481	1.960	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2ccc3c(c2)C(=O)NC3=O)[C@H](C)C1	ZINC001093139529	957633973	/nfs/dbraw/zinc/63/39/73/957633973.db2.gz	IGAKSAIMGUGOOW-ZWNOBZJWSA-N	1	0	361.829	1.620	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)c1cccn(C)c1=O	ZINC001093139891	957634923	/nfs/dbraw/zinc/63/49/23/957634923.db2.gz	ZMUOQIFGVXSFLZ-ZIAGYGMSSA-N	1	0	370.478	1.816	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(Cc3csnn3)C[C@H]2C)CC1	ZINC001093224324	957854267	/nfs/dbraw/zinc/85/42/67/957854267.db2.gz	QIZAJQYHDGOBLQ-GDBMZVCRSA-N	1	0	361.515	1.067	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1CCCN1C(N)=O	ZINC001093254006	957935020	/nfs/dbraw/zinc/93/50/20/957935020.db2.gz	YPFNBSATHJJMIA-QRQLOZEOSA-N	1	0	368.481	1.265	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3ccncc3C)C[C@H]2C)C1=O	ZINC001093278207	957948919	/nfs/dbraw/zinc/94/89/19/957948919.db2.gz	PYZIPILPCWZIHP-LMMKCTJWSA-N	1	0	370.497	1.865	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H]3CCCN(C)C3=O)C2)c1	ZINC001093284423	957964368	/nfs/dbraw/zinc/96/43/68/957964368.db2.gz	GMHSIYIMSOZYIF-SUMDDJOVSA-N	1	0	368.481	1.372	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnns3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093432659	958058336	/nfs/dbraw/zinc/05/83/36/958058336.db2.gz	DWSFQWLFESPCCH-ZNEHSRBWSA-N	1	0	370.906	1.870	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cc(C)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093434995	958062921	/nfs/dbraw/zinc/06/29/21/958062921.db2.gz	QUERVHNLGURZAI-HNBVOPMISA-N	1	0	360.502	1.734	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093436969	958068341	/nfs/dbraw/zinc/06/83/41/958068341.db2.gz	MTVVBXQXSYWDGE-KBEGMRNHSA-N	1	0	366.893	1.752	20	30		FDEDRO
Cc1oncc1C[NH2+][C@@H]1C[C@]2(CN(C(=O)C#CC3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093443519	958085743	/nfs/dbraw/zinc/08/57/43/958085743.db2.gz	RIVPAWRVVMRRHZ-VURPSTOHSA-N	1	0	371.481	1.863	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnnc(C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093444055	958087764	/nfs/dbraw/zinc/08/77/64/958087764.db2.gz	YQZUHSFWUSGXFL-SOAMZJECSA-N	1	0	358.486	1.941	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccn(CC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093446342	958093643	/nfs/dbraw/zinc/09/36/43/958093643.db2.gz	HHEQBWSXQAUELU-JYBIWHBTSA-N	1	0	360.502	1.598	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncc4nc[nH]c43)[C@H]2C(C)C)C[C@H]1O	ZINC001093446879	958097801	/nfs/dbraw/zinc/09/78/01/958097801.db2.gz	NPFMCSTVOBMEKF-GNUPYSACSA-N	1	0	367.453	1.171	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C)nn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093447365	958100398	/nfs/dbraw/zinc/10/03/98/958100398.db2.gz	UTTANAARLRVZDE-SOAMZJECSA-N	1	0	358.486	1.941	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3ccn(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093447964	958103281	/nfs/dbraw/zinc/10/32/81/958103281.db2.gz	BTEJWRDVUHQZIM-LFGUQSLTSA-N	1	0	360.502	1.505	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cc(C4CC4)no3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093447859	958103334	/nfs/dbraw/zinc/10/33/34/958103334.db2.gz	AQEMOWZDCKMASM-UKAVVXHISA-N	1	0	371.481	1.694	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3scnc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001093448700	958110401	/nfs/dbraw/zinc/11/04/01/958110401.db2.gz	LHENIXUIYDJFIU-RRIFGTCXSA-N	1	0	361.511	1.918	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc(C4CC4)o3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093448732	958110413	/nfs/dbraw/zinc/11/04/13/958110413.db2.gz	BVTSEGXFTXAUPT-MXHNKVEKSA-N	1	0	357.454	1.765	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@H]1C(C)C	ZINC001093448930	958112002	/nfs/dbraw/zinc/11/20/02/958112002.db2.gz	DFXXOIGISWGJLW-DLVXIWMQSA-N	1	0	361.486	1.246	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C)nc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093450935	958129679	/nfs/dbraw/zinc/12/96/79/958129679.db2.gz	PWIOLJHGDIPVGW-MLYOOKFZSA-N	1	0	360.502	1.748	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc4n[nH]cc4c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093451530	958132716	/nfs/dbraw/zinc/13/27/16/958132716.db2.gz	VFFVCLFWTOILBJ-WWNBULGVSA-N	1	0	369.469	1.724	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3n[nH]nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093459426	958182585	/nfs/dbraw/zinc/18/25/85/958182585.db2.gz	KMRPCKZNLDRINZ-LGWLGOQQSA-N	1	0	367.881	1.445	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ncccc3F)[C@H]2C(C)C)C[C@H]1O	ZINC001093461474	958193877	/nfs/dbraw/zinc/19/38/77/958193877.db2.gz	JGMIUAGFAOQRRA-JYBIWHBTSA-N	1	0	359.445	1.363	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C)[nH]c3=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001093464581	958200796	/nfs/dbraw/zinc/20/07/96/958200796.db2.gz	CNOBNLXRLLDODH-VIPLHTEESA-N	1	0	357.454	1.309	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc(C)nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093465841	958206761	/nfs/dbraw/zinc/20/67/61/958206761.db2.gz	JUFUHDWMNYOQLN-MLYOOKFZSA-N	1	0	356.470	1.306	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccc(CC)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093466807	958211248	/nfs/dbraw/zinc/21/12/48/958211248.db2.gz	PZQBRSLZHRSZSL-UGESXGAOSA-N	1	0	369.509	1.786	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(C)CCOCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093468608	958219724	/nfs/dbraw/zinc/21/97/24/958219724.db2.gz	AEXRUVOYZIZSIP-VIPLHTEESA-N	1	0	350.503	1.955	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(CCC)nn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093469943	958225848	/nfs/dbraw/zinc/22/58/48/958225848.db2.gz	NSUUFTGZKXKIOF-NWGLXNPWSA-N	1	0	361.490	1.454	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CC)C3)[C@H]2C(C)C)nn1	ZINC001093470315	958228141	/nfs/dbraw/zinc/22/81/41/958228141.db2.gz	SPULHGOUIRCCPL-MYZZLAAOSA-N	1	0	361.490	1.454	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3cnccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093472401	958239500	/nfs/dbraw/zinc/23/95/00/958239500.db2.gz	LDDFQQKEBYZCES-LFGUQSLTSA-N	1	0	358.486	1.561	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC)C2)[C@@H]1C(C)C	ZINC001093472813	958242119	/nfs/dbraw/zinc/24/21/19/958242119.db2.gz	KXNBXFUIUXRSSG-DCXXXQMHSA-N	1	0	371.481	1.693	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(CC4CC4)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093474309	958247325	/nfs/dbraw/zinc/24/73/25/958247325.db2.gz	URACELCPLCYVFE-WERVVEIQSA-N	1	0	370.497	1.506	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc(OC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093474257	958247522	/nfs/dbraw/zinc/24/75/22/958247522.db2.gz	UHBLCOCBILPZKP-CIWUYKSXSA-N	1	0	359.470	1.856	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(CCC)on3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093474827	958250192	/nfs/dbraw/zinc/25/01/92/958250192.db2.gz	WVZBSYKURPHHNT-MLYOOKFZSA-N	1	0	359.470	1.840	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CCF)C3)[C@@H]2C(C)C)nc1	ZINC001093475562	958253483	/nfs/dbraw/zinc/25/34/83/958253483.db2.gz	YNNROUZPTUCZBI-FTEYMNFISA-N	1	0	359.445	1.612	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)onc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001093476566	958254862	/nfs/dbraw/zinc/25/48/62/958254862.db2.gz	CPAZBONHHCTECI-HBXLWWENSA-N	1	0	359.470	1.758	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C(C)C)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093455372	958273001	/nfs/dbraw/zinc/27/30/01/958273001.db2.gz	MKCKMHVMTGABHV-LBKNJMOBSA-N	1	0	358.486	1.677	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3cncc(C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093458727	958285235	/nfs/dbraw/zinc/28/52/35/958285235.db2.gz	OVJLIKCWMGJTNT-UGESXGAOSA-N	1	0	369.509	1.922	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccn(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093478324	958293614	/nfs/dbraw/zinc/29/36/14/958293614.db2.gz	DYAUHSMKQWSPEL-CBZIJGRNSA-N	1	0	366.893	1.752	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(CC)n(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093478465	958294633	/nfs/dbraw/zinc/29/46/33/958294633.db2.gz	CQXAPHUCHKZILR-FTEYMNFISA-N	1	0	358.486	1.195	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncccc3OCC)[C@H]2C(C)C)C[C@H]1O	ZINC001093478788	958296064	/nfs/dbraw/zinc/29/60/64/958296064.db2.gz	FDYDVXSBBSTIAV-DCTVWTRXSA-N	1	0	371.481	1.693	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3ccnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093479499	958299239	/nfs/dbraw/zinc/29/92/39/958299239.db2.gz	KHFAOQBTWRMHKN-JOCBIADPSA-N	1	0	366.893	1.602	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncnc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001093480830	958304660	/nfs/dbraw/zinc/30/46/60/958304660.db2.gz	PCQAVADNJOQOEJ-XSYGEPLQSA-N	1	0	358.486	1.805	20	30		FDEDRO
C#CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@]23CCC[C@H]2OCC3)CC1	ZINC001093487994	958309350	/nfs/dbraw/zinc/30/93/50/958309350.db2.gz	ZBEAHTSBIPHQJZ-DYQZNNLLSA-N	1	0	371.525	1.718	20	30		FDEDRO
C=C(C)CC[NH+]1CC(OC2CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)CC2)C1	ZINC001093537550	958320992	/nfs/dbraw/zinc/32/09/92/958320992.db2.gz	ZUTMYDXUJNWAHZ-CRAIPNDOSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)Cc3ccsc3)C[C@H]2C)C1=O	ZINC001093620653	958352250	/nfs/dbraw/zinc/35/22/50/958352250.db2.gz	NAPMCEBZFNNUMC-DJIMGWMZSA-N	1	0	361.511	1.762	20	30		FDEDRO
C[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093628439	958386204	/nfs/dbraw/zinc/38/62/04/958386204.db2.gz	DXCDKGBKMHSGQH-CRAIPNDOSA-N	1	0	354.454	1.365	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3c(C)noc3C)C[C@H]2C)C1=O	ZINC001093629694	958388518	/nfs/dbraw/zinc/38/85/18/958388518.db2.gz	GJLMRZAELURVPU-DAXOMENPSA-N	1	0	360.458	1.376	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@H]1C	ZINC001093665045	958463739	/nfs/dbraw/zinc/46/37/39/958463739.db2.gz	NEJYEYNOQGSKAR-UWWQBHOKSA-N	1	0	357.454	1.787	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093690636	958549841	/nfs/dbraw/zinc/54/98/41/958549841.db2.gz	BDHDPNDPFUPGPI-ATZDWAIDSA-N	1	0	356.470	1.073	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093690639	958550182	/nfs/dbraw/zinc/55/01/82/958550182.db2.gz	BDHDPNDPFUPGPI-LZQZEXGQSA-N	1	0	356.470	1.073	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2nnc[nH]2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093701668	958570737	/nfs/dbraw/zinc/57/07/37/958570737.db2.gz	UDFRVOMBOVGMGG-RHSMWYFYSA-N	1	0	352.442	1.493	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2cc(C#N)ccc2F)[C@H](C)C1)n1cncn1	ZINC001093725195	958604510	/nfs/dbraw/zinc/60/45/10/958604510.db2.gz	BRGOFJGCAOKPGY-CKEIUWERSA-N	1	0	370.432	1.734	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)c(F)c3)[C@H](C)C2)o1	ZINC001093754853	958682874	/nfs/dbraw/zinc/68/28/74/958682874.db2.gz	MRHMCNNANNSKGA-MLGOLLRUSA-N	1	0	371.416	1.816	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1nc(CC(F)(F)F)no1	ZINC001093762059	958700277	/nfs/dbraw/zinc/70/02/77/958700277.db2.gz	LJKSKIOWZFXAQV-DGCLKSJQSA-N	1	0	370.375	1.772	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccn(C(C)C)n2)[C@H](C)C1	ZINC001093833163	958928185	/nfs/dbraw/zinc/92/81/85/958928185.db2.gz	VJDZQYMLUNOMAK-GGPKGHCWSA-N	1	0	371.529	1.746	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093833609	958930955	/nfs/dbraw/zinc/93/09/55/958930955.db2.gz	PURDUXFOCSPQFO-RHSMWYFYSA-N	1	0	365.437	1.150	20	30		FDEDRO
CC[C@]1(C(=O)N2C[C@@H](C[NH2+]Cc3ccccc3C#N)[C@H](C)C2)CCNC1=O	ZINC001093835577	958932993	/nfs/dbraw/zinc/93/29/93/958932993.db2.gz	ANUPGRIAAOPJDL-FPDPHYFHSA-N	1	0	368.481	1.659	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C[NH2+][C@@H]2CCNC2=O)[C@H](C)C1	ZINC001093870032	959052960	/nfs/dbraw/zinc/05/29/60/959052960.db2.gz	IFYSCJCAOLAHKC-BFYDXBDKSA-N	1	0	357.454	1.438	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H]3CCNC3=O)[C@H](C)C2)cc1	ZINC001093869798	959053687	/nfs/dbraw/zinc/05/36/87/959053687.db2.gz	BKVHFDMKAVFIAI-KYJSFNMBSA-N	1	0	357.454	1.438	20	30		FDEDRO
C#C[C@H]([NH2+]CCC(=O)N1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCCO1	ZINC000775785565	972398739	/nfs/dbraw/zinc/39/87/39/972398739.db2.gz	PYPXYLZFLXFRCP-OALUTQOASA-N	1	0	359.445	1.635	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093927482	959239216	/nfs/dbraw/zinc/23/92/16/959239216.db2.gz	DYRYQIRIKKVZHB-CHWSQXEVSA-N	1	0	371.466	1.211	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cncn2C)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001093894208	959248762	/nfs/dbraw/zinc/24/87/62/959248762.db2.gz	JMQCAZXXOOGIOU-NVXWUHKLSA-N	1	0	367.453	1.820	20	30		FDEDRO
COc1cnc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)cc3)[C@H](C)C2)nc1	ZINC001093906825	959294996	/nfs/dbraw/zinc/29/49/96/959294996.db2.gz	QFVKSOZKBKRSIX-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCc3nc(C4CC4)ncc3C2)CC1	ZINC000636677896	1013188107	/nfs/dbraw/zinc/18/81/07/1013188107.db2.gz	ZNNNQZYEWGMFFF-UHFFFAOYSA-N	1	0	369.469	1.005	20	30		FDEDRO
Cc1n[nH]nc1C(=O)N1C[C@@H](C[NH2+]Cc2cc(C#N)ccc2F)[C@H](C)C1	ZINC001093958918	959357685	/nfs/dbraw/zinc/35/76/85/959357685.db2.gz	OJQWBRRZXIZJPF-IAQYHMDHSA-N	1	0	356.405	1.622	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3cn(C)nc3C)[C@H](C)C2)c1	ZINC001094027681	959548608	/nfs/dbraw/zinc/54/86/08/959548608.db2.gz	AXYJFRQXCUNIGA-RDTXWAMCSA-N	1	0	351.454	1.603	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+][C@H](C)c3nnc(C)[nH]3)[C@H](C)C2)c1	ZINC001094028288	959549954	/nfs/dbraw/zinc/54/99/54/959549954.db2.gz	YTCMMKJGQRORLP-PBFPGSCMSA-N	1	0	352.442	1.548	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H]3CCN(C)C3=O)[C@H](C)C2)cc1	ZINC001094094217	959767070	/nfs/dbraw/zinc/76/70/70/959767070.db2.gz	KFHNHRJHCVGCNQ-SZVBFZGTSA-N	1	0	369.465	1.227	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnon2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001094122092	959825119	/nfs/dbraw/zinc/82/51/19/959825119.db2.gz	MFNJSSMCUACGNC-UKRRQHHQSA-N	1	0	355.398	1.470	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnn(CC)n2)[C@H](C)C1	ZINC001094103693	959884701	/nfs/dbraw/zinc/88/47/01/959884701.db2.gz	YADUFLHGKCLBBO-LMSBXDPUSA-N	1	0	361.490	1.463	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001094166858	959956527	/nfs/dbraw/zinc/95/65/27/959956527.db2.gz	PNTIJIDMEFBXCF-ZIAGYGMSSA-N	1	0	357.483	1.780	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]Cc2ncc(C)o2)[C@H](C)C1	ZINC001094174150	959976250	/nfs/dbraw/zinc/97/62/50/959976250.db2.gz	VJSXPISZBCGHNJ-GDBMZVCRSA-N	1	0	368.437	1.888	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)[nH]2)[C@H](C)C1	ZINC001094188152	960068818	/nfs/dbraw/zinc/06/88/18/960068818.db2.gz	HWHMCFICFFKLHY-RDTXWAMCSA-N	1	0	351.454	1.521	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCN(CC)C2=O)[C@H](C)C1	ZINC001094188187	960069076	/nfs/dbraw/zinc/06/90/76/960069076.db2.gz	ITQXQSPWCNZTRE-NSISKUIASA-N	1	0	367.493	1.515	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCN(C)C2=O)[C@H](C)C1	ZINC001094188377	960070428	/nfs/dbraw/zinc/07/04/28/960070428.db2.gz	RAZDPGYCZLIJJB-ATZDWAIDSA-N	1	0	353.466	1.125	20	30		FDEDRO
C#C[C@H]([NH2+][C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)[C@H]1CCCO1	ZINC000775791122	972487689	/nfs/dbraw/zinc/48/76/89/972487689.db2.gz	SDKFBXYDRIGIFR-HDEZJCGLSA-N	1	0	358.438	1.794	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N(C)C2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001094243067	960168995	/nfs/dbraw/zinc/16/89/95/960168995.db2.gz	SVIMOOBVZXVYGQ-AYOQOUSVSA-N	1	0	368.481	1.611	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3ccc(F)s3)C[C@H]2C)C1=O	ZINC001094252520	960192315	/nfs/dbraw/zinc/19/23/15/960192315.db2.gz	RUAFWSYMZZNVAS-MCIONIFRSA-N	1	0	365.474	1.972	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@H](C)F	ZINC001110155873	960268528	/nfs/dbraw/zinc/26/85/28/960268528.db2.gz	BWGPAEXUYYBFTR-XGUBFFRZSA-N	1	0	354.470	1.720	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@]3(CNC(=O)c4ccncc4)CCC[C@@H]23)C1=O	ZINC001094351560	960295396	/nfs/dbraw/zinc/29/53/96/960295396.db2.gz	ZBYHXSJWXSMRRV-DBXWQHBBSA-N	1	0	368.481	1.843	20	30		FDEDRO
CCn1nncc1C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C#N)c[nH]3)CCC[C@@H]12	ZINC001094387816	960334525	/nfs/dbraw/zinc/33/45/25/960334525.db2.gz	UUJBLMSXBPRMQL-IEBWSBKVSA-N	1	0	367.457	1.672	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4ccc(OC)nn43)CCC[C@@H]12	ZINC001094450862	960529370	/nfs/dbraw/zinc/52/93/70/960529370.db2.gz	NBNXQDOEOQTISL-OXQOHEQNSA-N	1	0	367.453	1.736	20	30		FDEDRO
C=CCOc1ccccc1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(N)=O)CC2	ZINC001094451221	960530114	/nfs/dbraw/zinc/53/01/14/960530114.db2.gz	RZCNVBVJVOJULZ-YLJYHZDGSA-N	1	0	357.454	1.711	20	30		FDEDRO
CCN(CCC#N)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)/C=C/c1ccco1)C2	ZINC001110241896	960555089	/nfs/dbraw/zinc/55/50/89/960555089.db2.gz	HGGRYOAZTKQNLZ-YUYXTCGWSA-N	1	0	370.453	1.776	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3Cc4cncn4C(=O)N3)CCC[C@@H]12	ZINC001094475504	960645090	/nfs/dbraw/zinc/64/50/90/960645090.db2.gz	CVVBSYFUESIGLE-SQGPQFPESA-N	1	0	371.485	1.693	20	30		FDEDRO
CS(=O)(=O)N(C(=O)Cc1ccc(F)c(C#N)c1)c1ccc(C[NH3+])cc1	ZINC001181196139	960651125	/nfs/dbraw/zinc/65/11/25/960651125.db2.gz	WVAMJWAWOPHGDG-UHFFFAOYSA-N	1	0	361.398	1.691	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCS(=O)(=O)C3)CCC[C@@H]12	ZINC001094527693	960728625	/nfs/dbraw/zinc/72/86/25/960728625.db2.gz	BBNPYDAYHMSWCB-JFIYKMOQSA-N	1	0	352.500	1.195	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCS(=O)(=O)C3)CCC[C@@H]12	ZINC001094528207	960728966	/nfs/dbraw/zinc/72/89/66/960728966.db2.gz	OMHDNSUGYWHJMK-LZLYRXPVSA-N	1	0	354.516	1.748	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCS(=O)(=O)C3)CCC[C@@H]12	ZINC001094528330	960730887	/nfs/dbraw/zinc/73/08/87/960730887.db2.gz	VQLULCAXWPXRCB-LZLYRXPVSA-N	1	0	354.516	1.748	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)c3nc4nccc(C)n4n3)CCC[C@@H]12	ZINC001094571387	960843023	/nfs/dbraw/zinc/84/30/23/960843023.db2.gz	HYIWKVWSHSOFDV-DNVCBOLYSA-N	1	0	354.458	1.983	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3COCCN3C(C)=O)CCC[C@@H]12	ZINC001094582876	960882203	/nfs/dbraw/zinc/88/22/03/960882203.db2.gz	IXNSKIRQBKPYJL-JFIYKMOQSA-N	1	0	369.893	1.347	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(-n4cncn4)n3)CCC[C@@H]12	ZINC001094548913	960891177	/nfs/dbraw/zinc/89/11/77/960891177.db2.gz	TULYIZRGDIHCCW-YLJYHZDGSA-N	1	0	364.453	1.660	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4nnc(C)n4C3)CCC[C@@H]12	ZINC001094584848	960947762	/nfs/dbraw/zinc/94/77/62/960947762.db2.gz	GYOBNQXPLFYMDK-MBOZVWFJSA-N	1	0	355.486	1.533	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2cccc(F)c2C#N)C[C@H]1[NH+]1CCCC1	ZINC000773308684	960980776	/nfs/dbraw/zinc/98/07/76/960980776.db2.gz	SSKAJGRJMJBYDQ-HUUCEWRRSA-N	1	0	369.487	1.898	20	30		FDEDRO
C=C(C)CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3cccnc3)CC2=O)C1	ZINC001094788387	961165390	/nfs/dbraw/zinc/16/53/90/961165390.db2.gz	RVULZGHGPBGFPK-YTQUADARSA-N	1	0	368.481	1.553	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC(=O)N1C(=O)OC(C)(C)C	ZINC001181863015	961226662	/nfs/dbraw/zinc/22/66/62/961226662.db2.gz	LTCGSXJRJZGIGF-UONOGXRCSA-N	1	0	351.447	1.679	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)NCC[N@H+]2CCCC(C)(C)C2)cc1	ZINC000773948845	961230622	/nfs/dbraw/zinc/23/06/22/961230622.db2.gz	JSXQEHHYQPDZFC-UHFFFAOYSA-N	1	0	357.454	1.875	20	30		FDEDRO
COCC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1C1CCOCC1	ZINC001171777985	961295603	/nfs/dbraw/zinc/29/56/03/961295603.db2.gz	BJMOKAQQBPQZSL-NZSAHSFTSA-N	1	0	350.503	1.964	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@]1(C)c1ccccc1	ZINC001171850566	961325913	/nfs/dbraw/zinc/32/59/13/961325913.db2.gz	SSULTPYNZJGTFY-LQBOVUBWSA-N	1	0	369.509	1.978	20	30		FDEDRO
C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	ZINC001171878401	961337283	/nfs/dbraw/zinc/33/72/83/961337283.db2.gz	JZVZWWMTVKBOME-KSZLIROESA-N	1	0	353.507	1.317	20	30		FDEDRO
C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@@H+]([C@H]1CCN(C3CC3)C(=O)C1)C2	ZINC001172011898	961385487	/nfs/dbraw/zinc/38/54/87/961385487.db2.gz	SZSBPTRQFVXWHX-GHTZIAJQSA-N	1	0	374.529	1.323	20	30		FDEDRO
COCCC[NH+]1CCC(N[C@]2(C#N)CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC001172245582	961592282	/nfs/dbraw/zinc/59/22/82/961592282.db2.gz	XAHRQOGRJXMTBH-IBGZPJMESA-N	1	0	366.506	1.980	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)N([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccccn1	ZINC001172310860	961617640	/nfs/dbraw/zinc/61/76/40/961617640.db2.gz	KHBTXRZXQLHFBQ-QAPCUYQASA-N	1	0	370.478	1.937	20	30		FDEDRO
CC(=O)N1CC2(C1)C[N@H+]([C@@H](C)Cc1ccc(C#N)cc1)C[C@H]2C(=O)N(C)C	ZINC001172317570	961620388	/nfs/dbraw/zinc/62/03/88/961620388.db2.gz	RUJCJBMVQCFGCS-KXBFYZLASA-N	1	0	368.481	1.358	20	30		FDEDRO
CC(C)[C@H]([NH2+][C@H](C)CCCC#N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC001172492020	961686038	/nfs/dbraw/zinc/68/60/38/961686038.db2.gz	PTRCPUZNXRRTNW-NJAFHUGGSA-N	1	0	358.486	1.896	20	30		FDEDRO
C=CCN1CCN(C)C2(CC[NH+]([C@@H]3CCC[C@H](C(=O)OC)C3)CC2)C1=O	ZINC001172620385	961697629	/nfs/dbraw/zinc/69/76/29/961697629.db2.gz	YMBBQTPXHGMNLR-DLBZAZTESA-N	1	0	363.502	1.513	20	30		FDEDRO
COC(=O)N1CCC([NH2+]C2CCN(C(=O)c3ccccc3C#N)CC2)CC1	ZINC001172734076	961757793	/nfs/dbraw/zinc/75/77/93/961757793.db2.gz	IBDNSFQCPRJVAV-UHFFFAOYSA-N	1	0	370.453	1.983	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CCN(C3COC3)CC2)C[C@H]1C#N	ZINC001172973587	961857472	/nfs/dbraw/zinc/85/74/72/961857472.db2.gz	FXJCPQBCPYLXHP-HOTGVXAUSA-N	1	0	364.490	1.731	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CN(c3cnccn3)C2)C[C@H]1C#N	ZINC001172987189	961869479	/nfs/dbraw/zinc/86/94/79/961869479.db2.gz	XCSYWCNPERNVDC-ZFWWWQNUSA-N	1	0	358.446	1.546	20	30		FDEDRO
C[NH+](C)C[C@H]1COCCN1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1	ZINC001172992268	961901391	/nfs/dbraw/zinc/90/13/91/961901391.db2.gz	UPQKUUMQXQIZAB-PMPSAXMXSA-N	1	0	352.479	1.540	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H](N2CC[NH+](CC(C)(C)O)CC2)C[C@H]1C#N	ZINC001172993312	961902735	/nfs/dbraw/zinc/90/27/35/961902735.db2.gz	MFTCLGIVNNDLPA-HOTGVXAUSA-N	1	0	366.506	1.667	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+]C3CCS(=O)(=O)CC3)CC2)cc1	ZINC001173423102	962122700	/nfs/dbraw/zinc/12/27/00/962122700.db2.gz	FNXXDUHXPMGLQV-UHFFFAOYSA-N	1	0	361.467	1.330	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H](CO)c3cccnc3)CC2)cc1	ZINC001173429111	962143917	/nfs/dbraw/zinc/14/39/17/962143917.db2.gz	MNMUUDJRICSHCD-IBGZPJMESA-N	1	0	350.422	1.881	20	30		FDEDRO
C[C@@]1(CO)C[N@@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC[C@@H]1O	ZINC001173430761	962148195	/nfs/dbraw/zinc/14/81/95/962148195.db2.gz	YPINIKYZFPDSNF-ICSRJNTNSA-N	1	0	357.454	1.228	20	30		FDEDRO
C=CCN1CCN(C)C2(CC[NH+]([C@H](C)CCCCC(=O)OC)CC2)C1=O	ZINC001173452656	962180911	/nfs/dbraw/zinc/18/09/11/962180911.db2.gz	UGJOYJNPXHHICN-QGZVFWFLSA-N	1	0	365.518	1.903	20	30		FDEDRO
N#Cc1cccc2[nH]cc(CC(=O)N3CCO[C@H](C[NH+]4CCCC4)C3)c21	ZINC001182582007	962320934	/nfs/dbraw/zinc/32/09/34/962320934.db2.gz	WUQOSAGKHDXILX-QGZVFWFLSA-N	1	0	352.438	1.905	20	30		FDEDRO
CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)Cc2c[nH]c3cccc(C#N)c23)O1	ZINC001182586533	962325855	/nfs/dbraw/zinc/32/58/55/962325855.db2.gz	WBNKAHRNFNBFEY-GPMSIDNRSA-N	1	0	356.426	1.423	20	30		FDEDRO
C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1C	ZINC001182598835	962353422	/nfs/dbraw/zinc/35/34/22/962353422.db2.gz	LWDUVKZKTZSSCZ-YYAJDYIMSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)C1	ZINC001182646868	962401076	/nfs/dbraw/zinc/40/10/76/962401076.db2.gz	DPMZTWKXUOCNFR-QRQLOZEOSA-N	1	0	355.482	1.919	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1	ZINC001182684238	962431153	/nfs/dbraw/zinc/43/11/53/962431153.db2.gz	MIMOJXCMKKUIAQ-RRFJBIMHSA-N	1	0	364.490	1.261	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1	ZINC000773415385	962964075	/nfs/dbraw/zinc/96/40/75/962964075.db2.gz	BUYFIWPYRSFXIG-HZPDHXFCSA-N	1	0	357.454	1.968	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N(CC)CC(=C)C	ZINC001110182915	963096763	/nfs/dbraw/zinc/09/67/63/963096763.db2.gz	FEWTYIXFXFDURQ-BDXSIMOUSA-N	1	0	363.502	1.724	20	30		FDEDRO
C[C@@]12C[NH+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@@]1(C)C(=O)NC2=O	ZINC001175250042	963110643	/nfs/dbraw/zinc/11/06/43/963110643.db2.gz	LWIYHPSIFYXCFR-IRXDYDNUSA-N	1	0	360.801	1.135	20	30		FDEDRO
C#CCC[C@H](O)C[NH2+][C@@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1	ZINC001183607639	963138579	/nfs/dbraw/zinc/13/85/79/963138579.db2.gz	ULFSWFWZOAYVRQ-YTQUADARSA-N	1	0	360.454	1.776	20	30		FDEDRO
CCOC(=O)C1(NC(=O)[C@@H](C#N)Cc2ccc(O)cc2)CC[NH+](C)CC1	ZINC001183611908	963143167	/nfs/dbraw/zinc/14/31/67/963143167.db2.gz	ABFYXESRJGOGSM-OAHLLOKOSA-N	1	0	359.426	1.218	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1)[C@H]1CCCO1	ZINC000773556531	963384261	/nfs/dbraw/zinc/38/42/61/963384261.db2.gz	DFJRUYULLCJOPA-RTBURBONSA-N	1	0	365.518	1.947	20	30		FDEDRO
C[NH+](C)CCCOc1ccc(Nc2c(C#N)cnc3c(C#N)cnn32)cn1	ZINC001176354783	963429271	/nfs/dbraw/zinc/42/92/71/963429271.db2.gz	QPOJIEWBKUVKPT-UHFFFAOYSA-N	1	0	362.397	1.942	20	30		FDEDRO
CCCC#CC(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC001184268931	963519095	/nfs/dbraw/zinc/51/90/95/963519095.db2.gz	YCRHMUURTNOUQG-QYZOEREBSA-N	1	0	355.486	1.783	20	30		FDEDRO
C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@H]1CN(c2cccc(C#N)c2)C(=O)O1	ZINC001184376265	963561968	/nfs/dbraw/zinc/56/19/68/963561968.db2.gz	QJHRRXMXOGFNOE-YESZJQIVSA-N	1	0	356.426	1.872	20	30		FDEDRO
CCOC(=O)CCCc1ccc(C#N)cc1NC(=O)[C@@H]1C[N@H+](C)CCN1C	ZINC001185255294	963884208	/nfs/dbraw/zinc/88/42/08/963884208.db2.gz	LPJDRNKFLMVVKO-SFHVURJKSA-N	1	0	372.469	1.628	20	30		FDEDRO
C=CCCc1ccc(C(=O)N[C@H]2CC[C@H](NC(=O)C[NH+](C)C)CC2)c(=O)[nH]1	ZINC001185371981	963935082	/nfs/dbraw/zinc/93/50/82/963935082.db2.gz	ORRBFQUWASYUOV-WKILWMFISA-N	1	0	374.485	1.625	20	30		FDEDRO
O=C(C#Cc1cccnc1)NCC(=O)N1CC[NH+](C2CCCCC2)CC1	ZINC001177779696	963969517	/nfs/dbraw/zinc/96/95/17/963969517.db2.gz	GPZDRNLPNHNWKA-UHFFFAOYSA-N	1	0	354.454	1.026	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCOCC(F)(F)F)C1	ZINC001185749848	964104627	/nfs/dbraw/zinc/10/46/27/964104627.db2.gz	NSXUUQQVZJGOKA-MCIONIFRSA-N	1	0	350.381	1.737	20	30		FDEDRO
C#CCNCc1cn([C@@H]2CCCN(C(=O)[C@]34CCC[C@H]3OCC4)C2)nn1	ZINC001185973904	964242335	/nfs/dbraw/zinc/24/23/35/964242335.db2.gz	DBOIHCVFTKAVIW-LMMKCTJWSA-N	1	0	357.458	1.124	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CCn2ccnn2)C1	ZINC001186188456	964337383	/nfs/dbraw/zinc/33/73/83/964337383.db2.gz	BMTSRWFBDOKUIN-IEBWSBKVSA-N	1	0	369.444	1.662	20	30		FDEDRO
C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC12CCOCC2	ZINC001186409820	964477492	/nfs/dbraw/zinc/47/74/92/964477492.db2.gz	GIDVATFPPAECRS-FGTMMUONSA-N	1	0	365.518	1.126	20	30		FDEDRO
C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)CC12CCOCC2	ZINC001186410073	964479241	/nfs/dbraw/zinc/47/92/41/964479241.db2.gz	MDEKUUYUTPSKEJ-ULQDDVLXSA-N	1	0	352.475	1.211	20	30		FDEDRO
CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC12CCOCC2	ZINC001186424901	964504262	/nfs/dbraw/zinc/50/42/62/964504262.db2.gz	MTKFAUOZJOQQMQ-WXJALIKYSA-N	1	0	358.482	1.278	20	30		FDEDRO
CON=CC(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000773777045	964530745	/nfs/dbraw/zinc/53/07/45/964530745.db2.gz	UYKNABPWGOWJNZ-UHFFFAOYSA-N	1	0	372.391	1.966	20	30		FDEDRO
C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCO[C@H]2C(=C)C)CC12CCOCC2	ZINC001186530741	964550328	/nfs/dbraw/zinc/55/03/28/964550328.db2.gz	POAJDICDHIIZJA-FHWLQOOXSA-N	1	0	360.498	1.836	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+](CC)CC)c1)[C@@H]1CCCO1	ZINC000773787699	964602523	/nfs/dbraw/zinc/60/25/23/964602523.db2.gz	JEXUHDMVEHISTQ-MSOLQXFVSA-N	1	0	357.454	1.764	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CC)c1ccccc1OCC(=O)N1CCCC1	ZINC000775049169	964752316	/nfs/dbraw/zinc/75/23/16/964752316.db2.gz	AJKKFTRXUXSJJX-AEFFLSMTSA-N	1	0	371.481	1.866	20	30		FDEDRO
N#CCSCC(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(C(N)=O)c3)C[C@H]21	ZINC001186917499	964876248	/nfs/dbraw/zinc/87/62/48/964876248.db2.gz	SAKIMPYJVKXVNO-JKSUJKDBSA-N	1	0	358.467	1.075	20	30		FDEDRO
C[NH+]=C(NCC(=O)N1CCCC1)N[C@@H]1CCN(c2cccc(OC)c2)C1	ZINC000262777868	964898034	/nfs/dbraw/zinc/89/80/34/964898034.db2.gz	LAATYQDUEUTNJN-OAHLLOKOSA-N	1	0	359.474	1.061	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC(C)(C)C)[C@@H]1C	ZINC001179561304	964898716	/nfs/dbraw/zinc/89/87/16/964898716.db2.gz	GCKQAHUIKWEXLK-FZKCQIBNSA-N	1	0	351.491	1.319	20	30		FDEDRO
N#CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1cccnc1	ZINC001179658550	964937044	/nfs/dbraw/zinc/93/70/44/964937044.db2.gz	ZYEVGLBUCBDMIR-DLBZAZTESA-N	1	0	357.458	1.091	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCCNCc1nc(COC)no1	ZINC001179634296	964941077	/nfs/dbraw/zinc/94/10/77/964941077.db2.gz	QSOLDRGDWGYZDX-CABCVRRESA-N	1	0	366.462	1.573	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCCCC[NH2+]CC(=O)N1CCC1	ZINC001179797292	964993375	/nfs/dbraw/zinc/99/33/75/964993375.db2.gz	VGRHASJWENMVJN-WMZOPIPTSA-N	1	0	351.491	1.466	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CSCCC)[C@@H]3C2)C1=O	ZINC001187078523	964999127	/nfs/dbraw/zinc/99/91/27/964999127.db2.gz	CAILPQSIYVBRKL-ARFHVFGLSA-N	1	0	351.516	1.449	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2cc(CO)ccc2F)C1	ZINC000962328544	1013539441	/nfs/dbraw/zinc/53/94/41/1013539441.db2.gz	NNXKEPDGJLNIFU-SYARIVLMSA-N	1	0	362.445	1.894	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](CCn3nc(C)nc3C)C[C@H]21	ZINC001187226593	965102388	/nfs/dbraw/zinc/10/23/88/965102388.db2.gz	WXPCMCDKOONUPK-FHLIZLRMSA-N	1	0	361.490	1.409	20	30		FDEDRO
C=CCCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCCN(c4cnn(C)c4)C3=O)C[C@H]21	ZINC001187240698	965114538	/nfs/dbraw/zinc/11/45/38/965114538.db2.gz	XGCZAAKTYKSTDB-RYQLBKOJSA-N	1	0	371.485	1.414	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1CC[C@H]2CN(CC(=O)N(C)C(C)C)C[C@H]21	ZINC001187216391	965135313	/nfs/dbraw/zinc/13/53/13/965135313.db2.gz	AJWMLJRCAVDMFB-YESZJQIVSA-N	1	0	351.491	1.367	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)N(C(C)C)C(C)C)C[C@H]21	ZINC001187281134	965160841	/nfs/dbraw/zinc/16/08/41/965160841.db2.gz	SXHJWMHJOYTFHL-OKZBNKHCSA-N	1	0	365.518	1.756	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCC(F)(F)F)[C@@H]3C2)C1=O	ZINC001187465415	965379027	/nfs/dbraw/zinc/37/90/27/965379027.db2.gz	GHVUZJKGLPEXCH-MELADBBJSA-N	1	0	359.392	1.649	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@H]2C[N@H+](CCOC[C@@H]3CCCO3)C[C@H]21	ZINC001187473355	965388467	/nfs/dbraw/zinc/38/84/67/965388467.db2.gz	ZEMIUQXCIWXYCH-GBESFXJTSA-N	1	0	366.502	1.698	20	30		FDEDRO
CC(C)N(C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1)C(C)C	ZINC001187569684	965537404	/nfs/dbraw/zinc/53/74/04/965537404.db2.gz	WMNNMHDHCRQDDG-MAUKXSAKSA-N	1	0	371.485	1.678	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@](C)(O)C=C)[C@@H]2C1	ZINC001187698657	965643086	/nfs/dbraw/zinc/64/30/86/965643086.db2.gz	MPTJNORNGAFJRY-QKLQHJQFSA-N	1	0	361.486	1.047	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CC(C)(C)C3=O)[C@@H]2C1	ZINC001187930685	965912880	/nfs/dbraw/zinc/91/28/80/965912880.db2.gz	XXIUSUAOCVXWLC-OWCLPIDISA-N	1	0	361.486	1.659	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(OCC(N)=O)c3)[C@@H]2C1	ZINC001188095495	966005782	/nfs/dbraw/zinc/00/57/82/966005782.db2.gz	LLXLTMWMGAFKSS-FUHWJXTLSA-N	1	0	357.454	1.663	20	30		FDEDRO
CCCCCCCCOCC(=O)N1CC[C@H]2C[N@H+](C[C@H](O)COC)C[C@H]21	ZINC001188225983	966136194	/nfs/dbraw/zinc/13/61/94/966136194.db2.gz	ANYXRWLRRPSOSK-GBESFXJTSA-N	1	0	370.534	1.904	20	30		FDEDRO
COCC#CCN1C[C@@H]2CCN(C(=O)c3cnc(C(F)(F)F)nc3)[C@@H]2C1	ZINC001188284559	966186280	/nfs/dbraw/zinc/18/62/80/966186280.db2.gz	CIRXSOBYKSRVOI-GXTWGEPZSA-N	1	0	368.359	1.292	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C(F)F)ncn3)[C@@H]2C1	ZINC001188329875	966208388	/nfs/dbraw/zinc/20/83/88/966208388.db2.gz	TUQRKVIXZCWHFS-SWLSCSKDSA-N	1	0	352.385	1.763	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4cc(C)nc4C3)[C@@H]2C1	ZINC001188336253	966212813	/nfs/dbraw/zinc/21/28/13/966212813.db2.gz	KECKPUVWUWTJOE-OKZBNKHCSA-N	1	0	358.486	1.489	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCC(C)(F)F)[C@@H]3C2)C1=O	ZINC001188382360	966250941	/nfs/dbraw/zinc/25/09/41/966250941.db2.gz	KWLOHCBFFYSARR-SOUVJXGZSA-N	1	0	355.429	1.741	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4nc(C)[nH]c4C3)[C@@H]2C1	ZINC001188382217	966251038	/nfs/dbraw/zinc/25/10/38/966251038.db2.gz	HOSAPGMIWGPSGT-TXPKVOOTSA-N	1	0	358.486	1.558	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CCOC[C@H]3CCCO3)[C@@H]2C1	ZINC001188428160	966282436	/nfs/dbraw/zinc/28/24/36/966282436.db2.gz	JRTCXUOVUSXUMV-RCCFBDPRSA-N	1	0	352.475	1.307	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cnc4c(c3)NC(=O)CO4)[C@@H]2C1	ZINC001188455886	966328020	/nfs/dbraw/zinc/32/80/20/966328020.db2.gz	FJKAVWQUJDRZCC-GRDNDAEWSA-N	1	0	370.453	1.914	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc4cnccc4c3)[C@@H]2C1	ZINC001188543419	966412521	/nfs/dbraw/zinc/41/25/21/966412521.db2.gz	DRHRAZWYGBKDOZ-LEWJYISDSA-N	1	0	363.461	1.960	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC000964505855	1013653084	/nfs/dbraw/zinc/65/30/84/1013653084.db2.gz	DGNGXBVWSGZUGO-SOLBZPMBSA-N	1	0	371.485	1.728	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccnc4[nH]c(C)nc43)[C@@H]2C1	ZINC001188623296	966470519	/nfs/dbraw/zinc/47/05/19/966470519.db2.gz	QTRBPJGRJNKXAU-GOEBONIOSA-N	1	0	353.426	1.062	20	30		FDEDRO
N#CCc1cccc(C(=O)n2cc(Br)ccc2=NCC[NH3+])c1	ZINC001188688354	966496999	/nfs/dbraw/zinc/49/69/99/966496999.db2.gz	DEMNRARKCLFIJF-UHFFFAOYSA-N	1	0	359.227	1.865	20	30		FDEDRO
N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cc4cc(F)ccc4[nH]3)[C@@H]2C1	ZINC001188731150	966541946	/nfs/dbraw/zinc/54/19/46/966541946.db2.gz	JMQXZXMKJWLCHL-YVEFUNNKSA-N	1	0	369.400	1.093	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H](CCCC)C(N)=O)C[C@H]32)cc1	ZINC001188743686	966550782	/nfs/dbraw/zinc/55/07/82/966550782.db2.gz	BLPNQGIRLIRNNA-IPMKNSEASA-N	1	0	353.466	1.858	20	30		FDEDRO
CC#CCCCC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21	ZINC001188903203	966645821	/nfs/dbraw/zinc/64/58/21/966645821.db2.gz	MJDXNFPWYGHFNY-OKZBNKHCSA-N	1	0	366.527	1.538	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)N(C)CC(F)(F)F)[C@@H]2C1	ZINC001188932549	966654010	/nfs/dbraw/zinc/65/40/10/966654010.db2.gz	ZGMSFANTSRXNRA-QLFBSQMISA-N	1	0	361.408	1.052	20	30		FDEDRO
C=CCCCC(=O)N1CC[C@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]21	ZINC001189006799	966697024	/nfs/dbraw/zinc/69/70/24/966697024.db2.gz	IVSGSUKLNCFWDZ-DLBZAZTESA-N	1	0	354.516	1.700	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cc(C)ccc3C)[C@@H]2C1	ZINC001189018452	966703029	/nfs/dbraw/zinc/70/30/29/966703029.db2.gz	QKJMZVUQTVDYJU-CMKODMSKSA-N	1	0	367.493	1.517	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1C[C@@H]2CCN(C(=O)Cc3occc3C)[C@@H]2C1	ZINC001189068264	966730846	/nfs/dbraw/zinc/73/08/46/966730846.db2.gz	FAERJFHAJPMJNF-ZWKOTPCHSA-N	1	0	371.481	1.864	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(N4CC=CC4)cc3)[C@@H]2C1	ZINC001189102192	966775199	/nfs/dbraw/zinc/77/51/99/966775199.db2.gz	SOHBVSPACIYGKY-PZJWPPBQSA-N	1	0	365.477	1.859	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c(C)ncc4C3)[C@@H]2C1	ZINC001189136603	966787635	/nfs/dbraw/zinc/78/76/35/966787635.db2.gz	ZRKDZWCKLIZDCZ-ZIFCJYIRSA-N	1	0	358.486	1.489	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1	ZINC001189151135	966794570	/nfs/dbraw/zinc/79/45/70/966794570.db2.gz	AIPPQRYKYLIYSP-OKZBNKHCSA-N	1	0	364.534	1.284	20	30		FDEDRO
C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3noc4c3CCCC4)[C@@H]2C1	ZINC001189213075	966862286	/nfs/dbraw/zinc/86/22/86/966862286.db2.gz	TWXRDBCBKVAWRY-DZGCQCFKSA-N	1	0	358.442	1.002	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4ccccn4)c3)[C@@H]2C1	ZINC001189283797	966870157	/nfs/dbraw/zinc/87/01/57/966870157.db2.gz	MTQVHCQMDMOVDB-FUHWJXTLSA-N	1	0	367.453	1.616	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C	ZINC000964524185	1013683144	/nfs/dbraw/zinc/68/31/44/1013683144.db2.gz	XGEBLHOOOMDPRF-TVFCKZIOSA-N	1	0	365.518	1.805	20	30		FDEDRO
CCCc1cc(C(=O)N2CC[C@H]3C[N@H+](CC#CCOC)C[C@H]32)cc(=O)[nH]1	ZINC001189358861	966942664	/nfs/dbraw/zinc/94/26/64/966942664.db2.gz	DONNPQMKHUMKLE-MAUKXSAKSA-N	1	0	357.454	1.536	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4ccccc4O3)[C@@H]2C1	ZINC001189470712	966981939	/nfs/dbraw/zinc/98/19/39/966981939.db2.gz	LBPVKOWOBSMQLW-NSHGMRRFSA-N	1	0	354.450	1.563	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn4cc(OC)ccc34)[C@@H]2C1	ZINC001189439268	966989901	/nfs/dbraw/zinc/98/99/01/966989901.db2.gz	LEQUREDRFIASCJ-HNAYVOBHSA-N	1	0	368.437	1.139	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3[nH]ncc3Br)[C@@H]2C1	ZINC001189439356	966991100	/nfs/dbraw/zinc/99/11/00/966991100.db2.gz	OLRXTLFXLJRDPG-WCQYABFASA-N	1	0	369.263	1.521	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)c3cc(CCC)on3)[C@@H]2C1	ZINC001189598098	967067979	/nfs/dbraw/zinc/06/79/79/967067979.db2.gz	OOCMALFPJPXTOW-JKIFEVAISA-N	1	0	360.458	1.464	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(-n4cncn4)n3)[C@@H]2C1	ZINC001189590419	967092517	/nfs/dbraw/zinc/09/25/17/967092517.db2.gz	IZKCKGKWHYASAW-DOTOQJQBSA-N	1	0	352.442	1.775	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(N4CCCC4)nn3)[C@@H]2C1	ZINC001189748164	967219895	/nfs/dbraw/zinc/21/98/95/967219895.db2.gz	CPPIKGIULZFXTD-FUHWJXTLSA-N	1	0	371.485	1.426	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H](C)C(=O)N(CC)CC)C[C@H]32)cn1	ZINC001189851707	967353701	/nfs/dbraw/zinc/35/37/01/967353701.db2.gz	NXRXBZCMYHQMHC-HHXXYDBFSA-N	1	0	368.481	1.466	20	30		FDEDRO
COc1ccc(N2CC[NH+](C[C@@H](O)CN3CC[C@](C)(C#N)C3)CC2)cc1	ZINC000852684020	967528793	/nfs/dbraw/zinc/52/87/93/967528793.db2.gz	ADDDFOBGLQTCBB-UYAOXDASSA-N	1	0	358.486	1.414	20	30		FDEDRO
COc1ccc(N2CC[NH+](C[C@H](O)CN3CC[C@@](C)(C#N)C3)CC2)cc1	ZINC000852684018	967528806	/nfs/dbraw/zinc/52/88/06/967528806.db2.gz	ADDDFOBGLQTCBB-ICSRJNTNSA-N	1	0	358.486	1.414	20	30		FDEDRO
COC(=O)C1(C#N)CCN(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1	ZINC000852701138	967544673	/nfs/dbraw/zinc/54/46/73/967544673.db2.gz	MVHYRCUMFIMVKS-KRWDZBQOSA-N	1	0	370.453	1.749	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1	ZINC000852807458	967622114	/nfs/dbraw/zinc/62/21/14/967622114.db2.gz	VGVGXWGISZBSLM-SFHVURJKSA-N	1	0	370.453	1.929	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOC[C@H]2CCCCO2)c1	ZINC001110423483	967633914	/nfs/dbraw/zinc/63/39/14/967633914.db2.gz	OYLYLCMUQDISMV-MTNOOBJLSA-N	1	0	372.469	1.807	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1	ZINC000852824443	967636255	/nfs/dbraw/zinc/63/62/55/967636255.db2.gz	VVBRCQRQADBRGT-OAHLLOKOSA-N	1	0	370.371	1.564	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1	ZINC000852825545	967637493	/nfs/dbraw/zinc/63/74/93/967637493.db2.gz	QXAFWLJRERPDHC-QGZVFWFLSA-N	1	0	358.417	1.551	20	30		FDEDRO
N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2	ZINC000852827191	967638758	/nfs/dbraw/zinc/63/87/58/967638758.db2.gz	CNFRAUWGVCVPRV-YLAKUSLOSA-N	1	0	368.437	1.263	20	30		FDEDRO
CS(=O)(=O)c1ccccc1-n1cc(NC(=O)C#CC2CC[NH2+]CC2)cn1	ZINC000852835074	967645671	/nfs/dbraw/zinc/64/56/71/967645671.db2.gz	BVIVFAFQMXKKQD-UHFFFAOYSA-N	1	0	372.450	1.217	20	30		FDEDRO
CCOC(=O)c1ccn(-c2ccccc2NC(=O)C#CC2CC[NH2+]CC2)n1	ZINC000852836822	967646666	/nfs/dbraw/zinc/64/66/66/967646666.db2.gz	KYFIIBPWLZLZCX-UHFFFAOYSA-N	1	0	366.421	1.991	20	30		FDEDRO
NC(=O)c1ccc(NC(=O)C#CC2CC[NH2+]CC2)cc1N1CCCCC1	ZINC000852840283	967648291	/nfs/dbraw/zinc/64/82/91/967648291.db2.gz	MEHGJRLBGUWMLD-UHFFFAOYSA-N	1	0	354.454	1.717	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c4ncccc34)[C@@H]2C1	ZINC001190204012	967658192	/nfs/dbraw/zinc/65/81/92/967658192.db2.gz	MYDYIZSETUEVMY-GRDNDAEWSA-N	1	0	367.453	1.400	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCN(c2ncnc3sccc32)CC1	ZINC000852857560	967661842	/nfs/dbraw/zinc/66/18/42/967661842.db2.gz	XHUKDJSTOXAOGR-UHFFFAOYSA-N	1	0	355.467	1.343	20	30		FDEDRO
CCN1CCN(C(=O)c2ccc(NC(=O)C#CC3CC[NH2+]CC3)cc2)CC1	ZINC000852862378	967667339	/nfs/dbraw/zinc/66/73/39/967667339.db2.gz	BZAUBRLDHCGOCY-UHFFFAOYSA-N	1	0	368.481	1.406	20	30		FDEDRO
CC(C)[C@H](NC(=O)C#CC1CC[NH2+]CC1)c1nc(-c2cccnc2)no1	ZINC000852863598	967669620	/nfs/dbraw/zinc/66/96/20/967669620.db2.gz	HFTYMBOKJQRJIS-KRWDZBQOSA-N	1	0	353.426	1.948	20	30		FDEDRO
N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cnn(-c2ccccc2)c1Br	ZINC000852875867	967681250	/nfs/dbraw/zinc/68/12/50/967681250.db2.gz	RYAZZMGKJXAKHC-MFKMUULPSA-N	1	0	360.215	1.476	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)c3ncc4n3CCCC4)[C@@H]2C1	ZINC001190241226	967689610	/nfs/dbraw/zinc/68/96/10/967689610.db2.gz	SFIJOOYYYDDRAU-YQQAZPJKSA-N	1	0	371.485	1.056	20	30		FDEDRO
CN1C(=O)C[C@H](NC(=O)C#CC2CC[NH2+]CC2)[C@H]1c1ccc(Cl)cc1	ZINC000852890251	967692916	/nfs/dbraw/zinc/69/29/16/967692916.db2.gz	XAYNCAZCKUQODU-QFBILLFUSA-N	1	0	359.857	1.731	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCn2c(Cc3ccccc3F)nnc2C1	ZINC000852895904	967694218	/nfs/dbraw/zinc/69/42/18/967694218.db2.gz	MFOLCOUORZBSIY-UHFFFAOYSA-N	1	0	367.428	1.353	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CCS(=O)(=O)N(C)C)[C@@H]2C1	ZINC001190312508	967725664	/nfs/dbraw/zinc/72/56/64/967725664.db2.gz	WTNZBEKOPYIVFB-DLBZAZTESA-N	1	0	371.547	1.547	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)CNC(=O)C4CCC4)[C@@H]3C2)c1	ZINC001190334000	967759022	/nfs/dbraw/zinc/75/90/22/967759022.db2.gz	OLEZHCHGOLDZPZ-RBUKOAKNSA-N	1	0	366.465	1.507	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]21	ZINC001190440836	967853201	/nfs/dbraw/zinc/85/32/01/967853201.db2.gz	LSDPRPKXCMCLRE-YESZJQIVSA-N	1	0	351.491	1.367	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](CCOCC(F)(F)F)C[C@H]21	ZINC001190458736	967883344	/nfs/dbraw/zinc/88/33/44/967883344.db2.gz	KUUKTOROMNUXHG-HZSPNIEDSA-N	1	0	350.381	1.689	20	30		FDEDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)c1ccc(C#N)cn1)C2	ZINC001190589538	967970563	/nfs/dbraw/zinc/97/05/63/967970563.db2.gz	BLDDHFMNDYXXHU-YLJYHZDGSA-N	1	0	354.454	1.774	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CC(F)(F)C1)C2	ZINC001111713120	967973267	/nfs/dbraw/zinc/97/32/67/967973267.db2.gz	VNXQWXAIQKSBLE-YOEHRIQHSA-N	1	0	353.413	1.142	20	30		FDEDRO
C=CCC1(S(=O)(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)OC)C3)CC2)CC1	ZINC001190804423	968101977	/nfs/dbraw/zinc/10/19/77/968101977.db2.gz	HXULJUDCWLPYJK-OAHLLOKOSA-N	1	0	370.515	1.774	20	30		FDEDRO
C[C@]12COC[C@H]1C[N@H+](CN1CC(=O)N(Cc3ccc(C#N)cc3)C1=O)C2	ZINC000853566842	968129375	/nfs/dbraw/zinc/12/93/75/968129375.db2.gz	RVJZWSMTIIPSGN-APWZRJJASA-N	1	0	354.410	1.248	20	30		FDEDRO
CCN(CN1C(=O)N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O)[C@H](C)C#N	ZINC000853578175	968138968	/nfs/dbraw/zinc/13/89/68/968138968.db2.gz	LDEMXWNUMXOKKB-OXQOHEQNSA-N	1	0	369.469	1.764	20	30		FDEDRO
COCCN(C(=O)c1ccc(C#CC(C)(C)O)cc1)C1CC[NH+](C)CC1	ZINC001191168039	968309703	/nfs/dbraw/zinc/30/97/03/968309703.db2.gz	NXXCZUBNYGQRTQ-UHFFFAOYSA-N	1	0	358.482	1.992	20	30		FDEDRO
CC(C)(O)C#Cc1ccc(C(=O)N2CCO[C@H](C[NH+]3CCCC3)C2)cc1	ZINC001191175027	968346352	/nfs/dbraw/zinc/34/63/52/968346352.db2.gz	DULOYODLNKITFK-LJQANCHMSA-N	1	0	356.466	1.746	20	30		FDEDRO
CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)c2ccc(C#CC(C)(C)O)cc2)O1	ZINC001191188574	968355882	/nfs/dbraw/zinc/35/58/82/968355882.db2.gz	GVYWPYVSLXHOHB-LMMKCTJWSA-N	1	0	360.454	1.264	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1	ZINC000853995430	968510301	/nfs/dbraw/zinc/51/03/01/968510301.db2.gz	MOBJDPPBLVICMI-QGZVFWFLSA-N	1	0	369.465	1.875	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCc2scnc2C)C[C@H]1O	ZINC001191615275	968622007	/nfs/dbraw/zinc/62/20/07/968622007.db2.gz	VSBLVEKKFFDUTB-RBSFLKMASA-N	1	0	353.488	1.137	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)C[C@H]1O	ZINC001191606988	968659713	/nfs/dbraw/zinc/65/97/13/968659713.db2.gz	BQZAVFILCTXEGB-CDHQVMDDSA-N	1	0	369.465	1.877	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCc2ccccc2CC)C[C@H]1O	ZINC001191614544	968668006	/nfs/dbraw/zinc/66/80/06/968668006.db2.gz	MIZCKBYZZGAIPM-PWIZWCRZSA-N	1	0	360.498	1.934	20	30		FDEDRO
C#CCN(CC(=O)N1CCOC[C@@H]1[C@H]1CCC[N@H+]1C)C(=O)OC(C)(C)C	ZINC000854643888	969048558	/nfs/dbraw/zinc/04/85/58/969048558.db2.gz	ZUQLEPNWFMZYLX-HZPDHXFCSA-N	1	0	365.474	1.178	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCOc2cccc(CC)c2)C[C@H]1O	ZINC001192547127	969157910	/nfs/dbraw/zinc/15/79/10/969157910.db2.gz	MMMHDSRJIDHMBM-QWFCFKBJSA-N	1	0	362.470	1.116	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)o1	ZINC001192677045	969227056	/nfs/dbraw/zinc/22/70/56/969227056.db2.gz	XYQUCYPJXYJTLY-DOTOQJQBSA-N	1	0	352.394	1.662	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)/C=C(/C)CC)C1	ZINC001192722083	969266806	/nfs/dbraw/zinc/26/68/06/969266806.db2.gz	IADJHJQDOHTOLM-IWXLYOQMSA-N	1	0	351.491	1.317	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CCNC(=O)NC(C)C)C1	ZINC001192794950	969302208	/nfs/dbraw/zinc/30/22/08/969302208.db2.gz	RAWGKEJUEWYVLV-ULQDDVLXSA-N	1	0	366.506	1.208	20	30		FDEDRO
COc1cccc(/C=C/CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)c1	ZINC001192826448	969318383	/nfs/dbraw/zinc/31/83/83/969318383.db2.gz	GCHRQLQHFAQDMD-OHLVZGNVSA-N	1	0	354.450	1.673	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(CC(C)C)cc2)C[C@H]1O	ZINC001192878896	969334118	/nfs/dbraw/zinc/33/41/18/969334118.db2.gz	NBGGYWNDGMTHKP-WOJBJXKFSA-N	1	0	358.482	1.586	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCc2ccc3ccccc3c2)C[C@H]1O	ZINC001192899649	969354729	/nfs/dbraw/zinc/35/47/29/969354729.db2.gz	SHWFSEQSHVLDMH-MAODMQOUSA-N	1	0	366.461	1.582	20	30		FDEDRO
Cc1noc(C)c1C[N@@H+]1CCCC12CCN(S(=O)(=O)CC#N)CC2	ZINC001192953786	969373142	/nfs/dbraw/zinc/37/31/42/969373142.db2.gz	PQYCYTOLBAPSJO-UHFFFAOYSA-N	1	0	352.460	1.575	20	30		FDEDRO
COc1cccc(C[N@@H+]2CCC3(C2)CCN(S(=O)(=O)CC#N)CC3)c1	ZINC001192958232	969376134	/nfs/dbraw/zinc/37/61/34/969376134.db2.gz	LJYWCSHIOVEFHO-UHFFFAOYSA-N	1	0	363.483	1.836	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@H+](CC2CC(OCC)C2)C[C@H]1O	ZINC001192925114	969383466	/nfs/dbraw/zinc/38/34/66/969383466.db2.gz	UPISAHJQOZMVEF-CSODTCANSA-N	1	0	368.518	1.726	20	30		FDEDRO
CC(C)([NH3+])CN(C(=O)c1cnccc1C#N)S(=O)(=O)c1ccccc1	ZINC001192981465	969390698	/nfs/dbraw/zinc/39/06/98/969390698.db2.gz	NARQZXSIWRNMFB-UHFFFAOYSA-N	1	0	358.423	1.522	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(F)(F)F)CCOCC2)C1	ZINC001193102722	969470756	/nfs/dbraw/zinc/47/07/56/969470756.db2.gz	NSRJONQBWVIJOV-CHWSQXEVSA-N	1	0	350.381	1.473	20	30		FDEDRO
Cc1noc(C)c1C[N@H+]1CCCC12CCN(S(=O)(=O)[C@H](C)C#N)CC2	ZINC001193117946	969481649	/nfs/dbraw/zinc/48/16/49/969481649.db2.gz	JFPLSZOKSOHAES-CYBMUJFWSA-N	1	0	366.487	1.964	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1O	ZINC001193232179	969562463	/nfs/dbraw/zinc/56/24/63/969562463.db2.gz	UJJNZPRDZVZUCZ-XUVXKRRUSA-N	1	0	358.482	1.520	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N[C@@H]1C[N@H+](CCOCCC(C)C)C[C@H]1O)OCC	ZINC001193420907	969695287	/nfs/dbraw/zinc/69/52/87/969695287.db2.gz	AJPSIEUIPQZFFZ-KURKYZTESA-N	1	0	356.507	1.582	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1O)OCC	ZINC001193421836	969696571	/nfs/dbraw/zinc/69/65/71/969696571.db2.gz	JKUJCYWQKOKTTR-KZNAEPCWSA-N	1	0	354.491	1.336	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)C(=O)c2cccs2)C1	ZINC001193472338	969709087	/nfs/dbraw/zinc/70/90/87/969709087.db2.gz	BPUWPTCZQLKVFF-RBSFLKMASA-N	1	0	365.499	1.336	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COc2ccc(F)cc2F)C1	ZINC001193507444	969729767	/nfs/dbraw/zinc/72/97/67/969729767.db2.gz	XGROPLLCCMTJNR-APHBMKBZSA-N	1	0	354.397	1.860	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)CCc2ccc(F)cc2)C1	ZINC001193629727	969776518	/nfs/dbraw/zinc/77/65/18/969776518.db2.gz	UUWCYMGEKKSYSY-ATZDWAIDSA-N	1	0	364.461	1.758	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCCCC3CCOCC3)C[C@H]2O)CCC1	ZINC001193686242	969812330	/nfs/dbraw/zinc/81/23/30/969812330.db2.gz	XXFTWKCIHWWIRF-RTBURBONSA-N	1	0	362.514	1.938	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3[nH]c(=O)[nH]c32)C1	ZINC001193843237	969868480	/nfs/dbraw/zinc/86/84/80/969868480.db2.gz	SUPKFUVSPJNCQQ-HZPDHXFCSA-N	1	0	358.442	1.790	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn3c(n2)CC[C@@H](C)C3)C1	ZINC001194063031	969981292	/nfs/dbraw/zinc/98/12/92/969981292.db2.gz	GMGHEUFESCPAMK-JFIYKMOQSA-N	1	0	360.502	1.987	20	30		FDEDRO
C[C@H](CC(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O)c1ccncc1	ZINC001194075649	969989107	/nfs/dbraw/zinc/98/91/07/969989107.db2.gz	MQGRJBJRZATDIR-DUXKGJEZSA-N	1	0	363.461	1.788	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3cc(C)nc3C2)C1	ZINC001194103100	970019247	/nfs/dbraw/zinc/01/92/47/970019247.db2.gz	UZPTWBDNFWPAGX-KZNAEPCWSA-N	1	0	362.518	1.886	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(C[C@H](O)c2cccc(C#N)c2)CC1	ZINC001194144665	970021649	/nfs/dbraw/zinc/02/16/49/970021649.db2.gz	WFOSVBWONZVNLH-FQEVSTJZSA-N	1	0	361.486	1.651	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nc(C)[nH]c3C2)C1	ZINC001194243748	970068564	/nfs/dbraw/zinc/06/85/64/970068564.db2.gz	CLMNBSWMXHFFGF-ATZDWAIDSA-N	1	0	362.518	1.955	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCOC[C@@H]2CCCO2)C1	ZINC001194352638	970121968	/nfs/dbraw/zinc/12/19/68/970121968.db2.gz	SEVBIUUMBKHSKZ-RCCFBDPRSA-N	1	0	356.507	1.704	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2C(F)(F)F)C1	ZINC001194391668	970154256	/nfs/dbraw/zinc/15/42/56/970154256.db2.gz	RUEYXVAWGJOAMO-RAIGVLPGSA-N	1	0	360.380	1.569	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1	ZINC001194415374	970163441	/nfs/dbraw/zinc/16/34/41/970163441.db2.gz	JUPVJCMALBXGNR-HZPDHXFCSA-N	1	0	363.458	1.620	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CNC(C)=O)cc2)C1	ZINC001194443830	970198297	/nfs/dbraw/zinc/19/82/97/970198297.db2.gz	USXWELVSIJWLDA-NIKGAXFTSA-N	1	0	359.470	1.452	20	30		FDEDRO
C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1	ZINC001194505888	970223335	/nfs/dbraw/zinc/22/33/35/970223335.db2.gz	XKORYLRXZBZPPV-FQEVSTJZSA-N	1	0	354.454	1.734	20	30		FDEDRO
C#C[C@@H](C)NC(=O)c1ccc(Br)cc1N1CC[NH+](C)CC1	ZINC001194612315	970290622	/nfs/dbraw/zinc/29/06/22/970290622.db2.gz	XMYOQKAIHSPYGR-GFCCVEGCSA-N	1	0	350.260	1.952	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3cc(OC)ccn32)C1	ZINC001194673457	970312125	/nfs/dbraw/zinc/31/21/25/970312125.db2.gz	MWINGELHVQVXKY-FRFSOERESA-N	1	0	358.442	1.473	20	30		FDEDRO
C#CCN1CCC[C@H](NS(=O)(=O)CCCOc2ccc(OC)cc2)C1	ZINC001194690145	970328841	/nfs/dbraw/zinc/32/88/41/970328841.db2.gz	GBINSTVFUWGKKI-INIZCTEOSA-N	1	0	366.483	1.481	20	30		FDEDRO
CN(CC1C[NH+](C)C1)C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C	ZINC000855637672	970561166	/nfs/dbraw/zinc/56/11/66/970561166.db2.gz	ICMRFSGCPAJZAU-HNNXBMFYSA-N	1	0	352.479	1.984	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@@H]1CC1(Cl)Cl	ZINC001110465429	970657586	/nfs/dbraw/zinc/65/75/86/970657586.db2.gz	CFPYDLUDEMQSBC-SYQHCUMBSA-N	1	0	372.296	1.431	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccccc1F	ZINC001110465719	970661937	/nfs/dbraw/zinc/66/19/37/970661937.db2.gz	QJYHQYSPHPLKED-NXHRZFHOSA-N	1	0	357.429	1.229	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2N(C)C(C)=O)C1	ZINC001195128353	970708586	/nfs/dbraw/zinc/70/85/86/970708586.db2.gz	HAAGWZHRTUOXAI-LSBZLQRGSA-N	1	0	359.470	1.799	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1ccccc1F	ZINC001110466413	970722056	/nfs/dbraw/zinc/72/20/56/970722056.db2.gz	OKJMUWRWJXCTIH-DTDBQYNISA-N	1	0	357.429	1.748	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC23CC4CC(CC(C4)C2)C3)C1	ZINC001198080071	972733011	/nfs/dbraw/zinc/73/30/11/972733011.db2.gz	AGOZMNBMBOETCO-MXDZQPNWSA-N	1	0	362.514	1.957	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cccc3ccccc32)C1	ZINC001198062493	972753025	/nfs/dbraw/zinc/75/30/25/972753025.db2.gz	OKDUTGJQHMQEOB-WOJBJXKFSA-N	1	0	354.450	1.746	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c(cn2)OCCC3)C1	ZINC001198186659	972904140	/nfs/dbraw/zinc/90/41/40/972904140.db2.gz	RGZPOLVKARJBON-QZTJIDSGSA-N	1	0	359.470	1.928	20	30		FDEDRO
N#Cc1nc(N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)sc1Cl	ZINC000863477834	972940843	/nfs/dbraw/zinc/94/08/43/972940843.db2.gz	XLSXTMQKKCCNAQ-MNOVXSKESA-N	1	0	353.835	1.430	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]CC(=O)Nc2ccc(F)c(F)c2)CCOCC1	ZINC000863549456	973003150	/nfs/dbraw/zinc/00/31/50/973003150.db2.gz	JSSMMXJPABWOMB-ZDUSSCGKSA-N	1	0	353.369	1.564	20	30		FDEDRO
COc1cc(OC)cc([C@@H](O)C[NH2+]C[C@@H](O)COc2ccccc2C#N)c1	ZINC000863559157	973015348	/nfs/dbraw/zinc/01/53/48/973015348.db2.gz	IBJRVNKRMWRMGC-APWZRJJASA-N	1	0	372.421	1.638	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)Nc2cc(C)on2)C1	ZINC001198644515	973348160	/nfs/dbraw/zinc/34/81/60/973348160.db2.gz	CGFJYJFFUIWWIT-ZIAGYGMSSA-N	1	0	352.435	1.053	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(-n3ccnc3)c2)C1	ZINC001198714508	973464255	/nfs/dbraw/zinc/46/42/55/973464255.db2.gz	PPBMDQLCVVXFDI-QZTJIDSGSA-N	1	0	369.469	1.789	20	30		FDEDRO
C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)c1ccccc1OC	ZINC001198805830	973549184	/nfs/dbraw/zinc/54/91/84/973549184.db2.gz	KNFSYXZZLCJZLG-ZTTFOMCMSA-N	1	0	372.465	1.517	20	30		FDEDRO
CNC(=O)NCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1	ZINC001110526364	973798053	/nfs/dbraw/zinc/79/80/53/973798053.db2.gz	FSLDDLCSVXUZGK-ZACQAIPSSA-N	1	0	355.442	1.099	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@]2(C#N)CCCOC2)CC1	ZINC000864866866	973906082	/nfs/dbraw/zinc/90/60/82/973906082.db2.gz	YDNDZJXIWOPQCY-OAQYLSRUSA-N	1	0	370.497	1.761	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O)[NH+]1CCCC1	ZINC001199127756	973929675	/nfs/dbraw/zinc/92/96/75/973929675.db2.gz	JXSIAGLKEHSTLB-NJYVYQBISA-N	1	0	369.509	1.320	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(C(F)(F)F)n(CCOC)n1	ZINC001199156220	973967799	/nfs/dbraw/zinc/96/77/99/973967799.db2.gz	VVLPKEZPYJOQMI-LBPRGKRZSA-N	1	0	360.380	1.929	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@H+]([C@H](CCOC)c2ccccc2)C[C@H]1O	ZINC001199292051	974131041	/nfs/dbraw/zinc/13/10/41/974131041.db2.gz	AHGACVSXHOYLOV-GUDVDZBRSA-N	1	0	362.470	1.518	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CCCC)NC(N)=O)C1	ZINC001199345071	974171004	/nfs/dbraw/zinc/17/10/04/974171004.db2.gz	JTGMZMJTRWSZMC-BZUAXINKSA-N	1	0	356.511	1.345	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC[N@@H+]1C	ZINC000967565300	1014173642	/nfs/dbraw/zinc/17/36/42/1014173642.db2.gz	LJPCZHBPXHIJMW-HYVNUMGLSA-N	1	0	371.485	1.680	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2cccc(F)c2)C1	ZINC001199362152	974215504	/nfs/dbraw/zinc/21/55/04/974215504.db2.gz	BXCMNQXEDSNMST-BMGDILEWSA-N	1	0	350.434	1.368	20	30		FDEDRO
C=C(Cl)C[C@H]1NC(=O)N(Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1=O	ZINC000865304121	974222352	/nfs/dbraw/zinc/22/23/52/974222352.db2.gz	ATNRAEDRJRMPBQ-JKSUJKDBSA-N	1	0	363.845	1.816	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]Cc1cc(C#N)ccc1N(C)C	ZINC000865442507	974298616	/nfs/dbraw/zinc/29/86/16/974298616.db2.gz	NIUQERUVHGJKMH-LJQANCHMSA-N	1	0	357.502	1.657	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(NCc2cc(C#N)ccc2N(C)C)CC1	ZINC000865455999	974307186	/nfs/dbraw/zinc/30/71/86/974307186.db2.gz	HLIOZTKNTWCXEC-UHFFFAOYSA-N	1	0	357.502	1.657	20	30		FDEDRO
COc1ccccc1N1CCC([NH2+]CCNC(=O)C2N=CC=CC2=O)CC1	ZINC000865461748	974311759	/nfs/dbraw/zinc/31/17/59/974311759.db2.gz	ACXZAQJUBHBOHO-FMQUCBEESA-N	1	0	370.453	1.780	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CCC(C)C)NC(C)=O)C1	ZINC001199559886	974366611	/nfs/dbraw/zinc/36/66/11/974366611.db2.gz	MBPIFRPKLODOMA-GUDVDZBRSA-N	1	0	367.534	1.835	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COc1ccccc1	ZINC001110538093	974410844	/nfs/dbraw/zinc/41/08/44/974410844.db2.gz	NGLJGUKNEURGSI-LFGUQSLTSA-N	1	0	356.466	1.807	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1C(=O)NC(C)(C)C1=O	ZINC001110539084	974436148	/nfs/dbraw/zinc/43/61/48/974436148.db2.gz	CTPDFWKXSJVMOL-OAGGEKHMSA-N	1	0	374.485	1.088	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNC(=O)C(F)(F)F	ZINC001110539058	974436207	/nfs/dbraw/zinc/43/62/07/974436207.db2.gz	BWBFGLJGBVWMCR-MCIONIFRSA-N	1	0	357.376	1.190	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+]C[C@@]34COC(=O)N3CCOC4)CC2)cc1	ZINC000865770451	974475703	/nfs/dbraw/zinc/47/57/03/974475703.db2.gz	LVWVZBMRROENJT-LJQANCHMSA-N	1	0	356.426	1.338	20	30		FDEDRO
C=C(C)COc1cc(C[NH2+]C[C@@]23COC(=O)N2CCOC3)ccc1OC	ZINC000865770774	974477164	/nfs/dbraw/zinc/47/71/64/974477164.db2.gz	UZSRERVGOAQHSN-LJQANCHMSA-N	1	0	362.426	1.961	20	30		FDEDRO
Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H]1Cc2ccc(C#N)cc2C1	ZINC000865848488	974531421	/nfs/dbraw/zinc/53/14/21/974531421.db2.gz	ODXQFABRKJSJSM-GOSISDBHSA-N	1	0	351.454	1.694	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc4c(C#N)c[nH]c4c3)CC2)C1	ZINC000865896451	974556317	/nfs/dbraw/zinc/55/63/17/974556317.db2.gz	KGZGUFUHMHXKOG-QGZVFWFLSA-N	1	0	351.454	1.892	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC2(CC1)CC[NH+](C)CC2	ZINC000867334085	974628349	/nfs/dbraw/zinc/62/83/49/974628349.db2.gz	OMOOUEBZEMBWGI-UHFFFAOYSA-N	1	0	368.481	1.851	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(F)c(C#N)c1	ZINC001110546298	974638998	/nfs/dbraw/zinc/63/89/98/974638998.db2.gz	SQNKJMVUEQRMQB-AZFSHXRASA-N	1	0	355.413	1.957	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc2c(c1)OCCO2	ZINC001110547677	974679348	/nfs/dbraw/zinc/67/93/48/974679348.db2.gz	PNHDQQBDHUYEBJ-HPBDAGMYSA-N	1	0	370.449	1.718	20	30		FDEDRO
C=CCNC(=S)N1CCCn2nnc(COCC[NH+]3CCCC3)c2C1	ZINC001200288645	974743730	/nfs/dbraw/zinc/74/37/30/974743730.db2.gz	KOKOMLVVMZXATK-UHFFFAOYSA-N	1	0	364.519	1.157	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOc1ccccc1OC	ZINC001110552454	974757649	/nfs/dbraw/zinc/75/76/49/974757649.db2.gz	ZZDQSJGSPGDSAI-MLHJIOFPSA-N	1	0	372.465	1.834	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+][C@H](CCCC)C(N)=O)CC1	ZINC001200637491	974854566	/nfs/dbraw/zinc/85/45/66/974854566.db2.gz	VASOAXKFRVWFEW-ZACQAIPSSA-N	1	0	351.491	1.592	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1	ZINC000776099246	974855421	/nfs/dbraw/zinc/85/54/21/974855421.db2.gz	XCONYWBEQVIXCN-HNNXBMFYSA-N	1	0	358.442	1.408	20	30		FDEDRO
C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CCCO1	ZINC001200807532	974910319	/nfs/dbraw/zinc/91/03/19/974910319.db2.gz	VTHUIJQAVLUWFM-MJBXVCDLSA-N	1	0	366.380	1.116	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCCO1	ZINC001201042364	974956175	/nfs/dbraw/zinc/95/61/75/974956175.db2.gz	KJJDIZYSAHXIDO-XLAORIBOSA-N	1	0	352.475	1.211	20	30		FDEDRO
C[NH+]1CCN(c2ccc(Nc3cnn(CC4OCCO4)c3)cc2C#N)CC1	ZINC001201261838	974993052	/nfs/dbraw/zinc/99/30/52/974993052.db2.gz	IEOSKZDUCPLSJI-UHFFFAOYSA-N	1	0	368.441	1.623	20	30		FDEDRO
Cc1cc(N2CCN(S(=O)(=O)c3ccc(C)c(C#N)c3)CC2)nc(C)n1	ZINC001201303771	975001123	/nfs/dbraw/zinc/00/11/23/975001123.db2.gz	SQPVUZZNTFNXHW-UHFFFAOYSA-N	1	0	371.466	1.784	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2	ZINC001110565877	975035087	/nfs/dbraw/zinc/03/50/87/975035087.db2.gz	QLRXQLKGJLSDGQ-ZACQAIPSSA-N	1	0	362.518	1.275	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+]CCS(=O)(=O)CC3CC3)CC2)cc1	ZINC000776167221	975046380	/nfs/dbraw/zinc/04/63/80/975046380.db2.gz	AHRPHMZWAWMDAR-UHFFFAOYSA-N	1	0	361.511	1.937	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(C3CCOCC3)n1)C2	ZINC001110564858	975048326	/nfs/dbraw/zinc/04/83/26/975048326.db2.gz	WYTPDWABULMXRU-QRQLOZEOSA-N	1	0	374.485	1.772	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)CCCO1	ZINC001201437329	975060444	/nfs/dbraw/zinc/06/04/44/975060444.db2.gz	CBFGFCVXMJFEEU-RBSFLKMASA-N	1	0	352.866	1.483	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCOCC(F)F)C1	ZINC001201439554	975061502	/nfs/dbraw/zinc/06/15/02/975061502.db2.gz	XDKKEBDFUWWCLM-KFWWJZLASA-N	1	0	362.417	1.066	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CCCO1	ZINC001201454148	975067977	/nfs/dbraw/zinc/06/79/77/975067977.db2.gz	JVEHBNVOPFYMKA-OWCLPIDISA-N	1	0	352.866	1.483	20	30		FDEDRO
C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2OCC[C@@H]2c2ccccc2)CCCO1	ZINC001201613246	975098171	/nfs/dbraw/zinc/09/81/71/975098171.db2.gz	YRJAUSJTKOOEHK-XUVXKRRUSA-N	1	0	356.466	1.790	20	30		FDEDRO
O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CCC([NH2+]CC#Cc2ccccc2)CC1	ZINC001201745505	975139037	/nfs/dbraw/zinc/13/90/37/975139037.db2.gz	XQXRQHBJVLYYRV-SESVDKBCSA-N	1	0	368.477	1.670	20	30		FDEDRO
C#C[C@H](NC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCO1	ZINC000776223439	975182660	/nfs/dbraw/zinc/18/26/60/975182660.db2.gz	AMLTYAGXBBYRBC-NSHGMRRFSA-N	1	0	357.454	1.103	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nn1	ZINC000866503764	975732765	/nfs/dbraw/zinc/73/27/65/975732765.db2.gz	WGJUXMAQWWJIQA-UHFFFAOYSA-N	1	0	359.455	1.409	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1	ZINC000652727970	1014280082	/nfs/dbraw/zinc/28/00/82/1014280082.db2.gz	NJRYFQJLQIVECW-QZTJIDSGSA-N	1	0	359.470	1.066	20	30		FDEDRO
N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@]12COCCN1C(=O)COC2	ZINC000866552724	975778888	/nfs/dbraw/zinc/77/88/88/975778888.db2.gz	IQTVZQNOSYJWMV-AZUAARDMSA-N	1	0	355.438	1.543	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2)n1	ZINC000847526673	975779190	/nfs/dbraw/zinc/77/91/90/975779190.db2.gz	AGNFTNPGIISQSM-UHFFFAOYSA-N	1	0	373.844	1.536	20	30		FDEDRO
C#C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)C1	ZINC000847557958	975820761	/nfs/dbraw/zinc/82/07/61/975820761.db2.gz	KZFNCGLJPBPBQF-QGZVFWFLSA-N	1	0	368.481	1.639	20	30		FDEDRO
N#Cc1ccc(N2CCN(C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)cc1	ZINC000866704257	975932926	/nfs/dbraw/zinc/93/29/26/975932926.db2.gz	SDVKHTUOMPLONM-SFTDATJTSA-N	1	0	350.466	1.611	20	30		FDEDRO
C=CCn1c(C)cc(C(=O)CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1C	ZINC000866714260	975948705	/nfs/dbraw/zinc/94/87/05/975948705.db2.gz	JQXHKXWHOAKHIV-SUMDDJOVSA-N	1	0	372.469	1.341	20	30		FDEDRO
C=CCN1CCC(NS(=O)(=O)c2cn(C)nc2Br)CC1	ZINC000866744616	975985116	/nfs/dbraw/zinc/98/51/16/975985116.db2.gz	PJBDSXGISFVAMD-UHFFFAOYSA-N	1	0	363.281	1.111	20	30		FDEDRO
CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2ccccc2CC#N)cc1	ZINC000866757163	976000867	/nfs/dbraw/zinc/00/08/67/976000867.db2.gz	LBIOBIGAEBKXJP-QGZVFWFLSA-N	1	0	358.467	1.797	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1	ZINC000866771690	976022555	/nfs/dbraw/zinc/02/25/55/976022555.db2.gz	IPKZGPRCEQLFKT-NVXWUHKLSA-N	1	0	367.446	1.604	20	30		FDEDRO
COCCC1(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC[NH2+]CC1	ZINC000866821308	976105322	/nfs/dbraw/zinc/10/53/22/976105322.db2.gz	ZEMRCKXAIYBZAM-UHFFFAOYSA-N	1	0	357.863	1.649	20	30		FDEDRO
CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@]1(C#N)CCCOC1	ZINC000867559983	976369550	/nfs/dbraw/zinc/36/95/50/976369550.db2.gz	PZHDCPJJUXOUDP-WOJBJXKFSA-N	1	0	357.454	1.402	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cccc(C)c1C#N	ZINC000867581397	976419510	/nfs/dbraw/zinc/41/95/10/976419510.db2.gz	JWKAZODZHKJDJY-UHFFFAOYSA-N	1	0	365.499	1.846	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000867581192	976419896	/nfs/dbraw/zinc/41/98/96/976419896.db2.gz	JWIXONMWIGHIMK-UHFFFAOYSA-N	1	0	369.462	1.676	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)nnc1C)C2	ZINC001110599740	976481231	/nfs/dbraw/zinc/48/12/31/976481231.db2.gz	HLWWPUMMIHWAGG-SRABZTEZSA-N	1	0	357.458	1.119	20	30		FDEDRO
C=CCCn1cc(CONC(=[NH2+])[C@H]2CN(Cc3ccccc3)CCO2)nn1	ZINC000848510769	976869621	/nfs/dbraw/zinc/86/96/21/976869621.db2.gz	GLGVZJJGUAXYDX-GOSISDBHSA-N	1	0	370.457	1.754	20	30		FDEDRO
C[NH+]1CCN(C2CCN(S(=O)(=O)c3ccc(F)cc3C#N)CC2)CC1	ZINC000867817923	976933786	/nfs/dbraw/zinc/93/37/86/976933786.db2.gz	WZUILWXISZJPTK-UHFFFAOYSA-N	1	0	366.462	1.098	20	30		FDEDRO
C[C@](C#N)(NC(=O)COC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1	ZINC000848775753	977084687	/nfs/dbraw/zinc/08/46/87/977084687.db2.gz	VHRHAMLVXPRBDL-OXQOHEQNSA-N	1	0	355.438	1.860	20	30		FDEDRO
CN(CCCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)CC(F)(F)F	ZINC000867959067	977143117	/nfs/dbraw/zinc/14/31/17/977143117.db2.gz	NFMCSHIGYJJRNF-OAHLLOKOSA-N	1	0	354.376	1.745	20	30		FDEDRO
C[NH+]=C(NCc1ccco1)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2	ZINC000849038172	977292392	/nfs/dbraw/zinc/29/23/92/977292392.db2.gz	JJCKVDATBPQGSV-AWEZNQCLSA-N	1	0	372.425	1.269	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@@H](O)c1ccccc1C(F)(F)F	ZINC000849067540	977301011	/nfs/dbraw/zinc/30/10/11/977301011.db2.gz	LFLHUEFYNXWWCS-OAHLLOKOSA-N	1	0	374.407	1.236	20	30		FDEDRO
C=CCN(CC=C)[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)C(C)C	ZINC000849071944	977302801	/nfs/dbraw/zinc/30/28/01/977302801.db2.gz	UDBVQHBMOCKEBM-GOSISDBHSA-N	1	0	371.533	1.822	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1CCN(c2ccccc2F)C1	ZINC000849085827	977308172	/nfs/dbraw/zinc/30/81/72/977308172.db2.gz	XLXWLEJLOQYDCR-INIZCTEOSA-N	1	0	363.481	1.149	20	30		FDEDRO
C[NH+](C)CCNC(=S)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1	ZINC000795000618	977334900	/nfs/dbraw/zinc/33/49/00/977334900.db2.gz	FRIDKHHQBHOKQT-MRXNPFEDSA-N	1	0	365.934	1.958	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2ccc(CN3CCNC3=O)cc2)CC1	ZINC000868283596	977442277	/nfs/dbraw/zinc/44/22/77/977442277.db2.gz	BMLDIVLKEFLATD-UHFFFAOYSA-N	1	0	371.485	1.661	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1	ZINC000849495718	977689035	/nfs/dbraw/zinc/68/90/35/977689035.db2.gz	FATRQMPLABTPQW-RTBURBONSA-N	1	0	351.454	1.986	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1	ZINC000849495402	977689070	/nfs/dbraw/zinc/68/90/70/977689070.db2.gz	CKOAKNGPBAVXLA-OALUTQOASA-N	1	0	351.454	1.986	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1	ZINC000849495404	977689704	/nfs/dbraw/zinc/68/97/04/977689704.db2.gz	CKOAKNGPBAVXLA-RTBURBONSA-N	1	0	351.454	1.986	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)Cn1cc(C=O)c(-c2ccc(OC)cc2)n1	ZINC000868582194	977790807	/nfs/dbraw/zinc/79/08/07/977790807.db2.gz	VETZZDHDIICHPX-UHFFFAOYSA-N	1	0	368.437	1.443	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](CCOC(C)(C)C)C(=O)OCC)CC1	ZINC000776441781	977870620	/nfs/dbraw/zinc/87/06/20/977870620.db2.gz	XQBKPSGWMOXUDH-INIZCTEOSA-N	1	0	352.475	1.585	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1)C1CCOCC1	ZINC000850686359	978608992	/nfs/dbraw/zinc/60/89/92/978608992.db2.gz	DRPGKMHZMRMBKW-GOSISDBHSA-N	1	0	373.453	1.110	20	30		FDEDRO
Cn1c(Cl)cnc1-c1csc(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)n1	ZINC000850754251	978661248	/nfs/dbraw/zinc/66/12/48/978661248.db2.gz	NBCMHLBFQJLTRD-HTQZYQBOSA-N	1	0	351.823	1.430	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(c2cnc(C#N)cn2)CC1	ZINC001110629918	978874951	/nfs/dbraw/zinc/87/49/51/978874951.db2.gz	AUBFECCOYYRNEF-CRAIPNDOSA-N	1	0	366.469	1.119	20	30		FDEDRO
C#CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CCN(c2ccnc(C)n2)CC1	ZINC001110631237	978913084	/nfs/dbraw/zinc/91/30/84/978913084.db2.gz	NPVVXLMVRYVHRE-RBUKOAKNSA-N	1	0	369.513	1.946	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(OC(C)C)nc1)C2	ZINC001110631733	978931795	/nfs/dbraw/zinc/93/17/95/978931795.db2.gz	LEWZOSSEKWSEIM-ZACQAIPSSA-N	1	0	372.469	1.506	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1	ZINC000968005379	1014546874	/nfs/dbraw/zinc/54/68/74/1014546874.db2.gz	OHTCVIGNULTVAX-NXHRZFHOSA-N	1	0	363.502	1.369	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](C[NH+]1CCN(CCC#N)CC1)O2	ZINC000851872637	979140126	/nfs/dbraw/zinc/14/01/26/979140126.db2.gz	MDMHCKBMAJBVKK-MRXNPFEDSA-N	1	0	364.490	1.686	20	30		FDEDRO
COc1cccc2c1CC[C@@]2(CO)[NH2+]CC(=O)NC1(C#N)CCCCC1	ZINC000880379297	979143397	/nfs/dbraw/zinc/14/33/97/979143397.db2.gz	XPZPQZFCOVMMCZ-FQEVSTJZSA-N	1	0	357.454	1.761	20	30		FDEDRO
C#CCC1(O)CC[NH+]([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)CC1	ZINC000880483658	979224469	/nfs/dbraw/zinc/22/44/69/979224469.db2.gz	IOLYMDQDNPOCLB-CRAIPNDOSA-N	1	0	352.475	1.597	20	30		FDEDRO
C#C[C@@H](NC(=O)NCc1ccc(OCC[NH+](C)C)cc1)C1CCOCC1	ZINC000851973811	979234099	/nfs/dbraw/zinc/23/40/99/979234099.db2.gz	KLSYMSUEMCMUIN-LJQANCHMSA-N	1	0	359.470	1.855	20	30		FDEDRO
C#C[C@@](C)(CC)[NH2+][C@H](C)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1	ZINC000852098328	979350281	/nfs/dbraw/zinc/35/02/81/979350281.db2.gz	KLQCIWSEAFGPNX-BLVKFPJESA-N	1	0	360.410	1.978	20	30		FDEDRO
CN1c2ccccc2C(C)(C)/C1=C/C(=O)Cn1cc(COCC[NH3+])nn1	ZINC000880982595	979561295	/nfs/dbraw/zinc/56/12/95/979561295.db2.gz	DHXQYPPNSICOOP-ZDLGFXPLSA-N	1	0	355.442	1.634	20	30		FDEDRO
CN1C(=O)COc2cccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c21	ZINC000881265757	979791928	/nfs/dbraw/zinc/79/19/28/979791928.db2.gz	YMFOYVHMJIKUPZ-UHFFFAOYSA-N	1	0	359.430	1.741	20	30		FDEDRO
N#Cc1cccc(OCC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1	ZINC000881622372	980016937	/nfs/dbraw/zinc/01/69/37/980016937.db2.gz	OIBKMQBVBKRGQK-UHFFFAOYSA-N	1	0	370.453	1.269	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1	ZINC000645620925	1014642840	/nfs/dbraw/zinc/64/28/40/1014642840.db2.gz	GIYASPNJIGFFFW-BBRMVZONSA-N	1	0	371.441	1.095	20	30		FDEDRO
Cc1nc(C#N)cc(N2CCN(c3ccccc3OCC[NH+](C)C)CC2)n1	ZINC000882003594	980365820	/nfs/dbraw/zinc/36/58/20/980365820.db2.gz	LGWHKEAVKVDMJC-UHFFFAOYSA-N	1	0	366.469	1.924	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1	ZINC000882620862	980761030	/nfs/dbraw/zinc/76/10/30/980761030.db2.gz	YHCTXGNHBDGKHS-AWEZNQCLSA-N	1	0	372.450	1.861	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](O)COC)cc1	ZINC001110725429	981601751	/nfs/dbraw/zinc/60/17/51/981601751.db2.gz	ZSXBOWWXLHRCFM-RWQQGDIJSA-N	1	0	360.454	1.594	20	30		FDEDRO
C[C@@H](CN1CCOCC1)NC(=O)Nc1ccc(Br)c(C#N)n1	ZINC000883078855	981926918	/nfs/dbraw/zinc/92/69/18/981926918.db2.gz	DXJNBHXYYOOZMU-JTQLQIEISA-N	1	0	368.235	1.558	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000858275688	981955057	/nfs/dbraw/zinc/95/50/57/981955057.db2.gz	LEGRKXPPRHASOV-OALUTQOASA-N	1	0	358.486	1.313	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH2+]Cc1cnc2ccc(C#N)cn12	ZINC000858280492	981958748	/nfs/dbraw/zinc/95/87/48/981958748.db2.gz	UMOIPCVQINKWLW-INIZCTEOSA-N	1	0	371.441	1.931	20	30		FDEDRO
C=C(C)C[C@@H](CO)[NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1	ZINC000883391685	982109803	/nfs/dbraw/zinc/10/98/03/982109803.db2.gz	QAHZIDRVWXZSEO-HNNXBMFYSA-N	1	0	356.492	1.096	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1C1CC1	ZINC000883606744	982303007	/nfs/dbraw/zinc/30/30/07/982303007.db2.gz	AMTQQNIQLWRQOH-DOPJRALCSA-N	1	0	352.438	1.960	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC([NH2+]C2CCOCC2)CC1	ZINC000883670724	982366290	/nfs/dbraw/zinc/36/62/90/982366290.db2.gz	RBSPJLJBDSVWCJ-CRAIPNDOSA-N	1	0	351.491	1.910	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1	ZINC000859025476	982465117	/nfs/dbraw/zinc/46/51/17/982465117.db2.gz	RTRHMPANRMEDRR-HTUJPFKRSA-N	1	0	362.518	1.367	20	30		FDEDRO
C=C(C)C[C@H](CO)NC(=O)NC[C@@H]1CN(Cc2cccc(C)c2)CCO1	ZINC000883804191	982482413	/nfs/dbraw/zinc/48/24/13/982482413.db2.gz	YHVNGHRNUXGABF-RTBURBONSA-N	1	0	361.486	1.822	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]CCOC[C@H]2CCCCO2)CC1	ZINC001202559868	982559266	/nfs/dbraw/zinc/55/92/66/982559266.db2.gz	RGRNRUVPRCFBMN-QRVBRYPASA-N	1	0	366.502	1.744	20	30		FDEDRO
C[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000859153539	982579757	/nfs/dbraw/zinc/57/97/57/982579757.db2.gz	SZMFWLOOQCGTEI-CVEARBPZSA-N	1	0	367.490	1.999	20	30		FDEDRO
C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)C[C@@H](O)CC1(C#N)CCOCC1	ZINC000859191681	982609862	/nfs/dbraw/zinc/60/98/62/982609862.db2.gz	RRIGYEGHRPRAER-CABCVRRESA-N	1	0	355.479	1.903	20	30		FDEDRO
CC(C)([NH2+]CC#CCN1C(=O)c2ccccc2C1=O)C(=O)N1CCCC1	ZINC000859288735	982685964	/nfs/dbraw/zinc/68/59/64/982685964.db2.gz	AJASUEUYVYIYIX-UHFFFAOYSA-N	1	0	353.422	1.277	20	30		FDEDRO
COC(=O)[C@]1(C(F)(F)F)CC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000859302019	982695993	/nfs/dbraw/zinc/69/59/93/982695993.db2.gz	LVNZOLTVIRFKNT-DOMZBBRYSA-N	1	0	364.364	1.485	20	30		FDEDRO
C[N@H+](C[C@H](O)CC1(C#N)CCOCC1)C1CN(C(=O)OC(C)(C)C)C1	ZINC000859310997	982702307	/nfs/dbraw/zinc/70/23/07/982702307.db2.gz	ZPXGZDRMGLVEDR-OAHLLOKOSA-N	1	0	353.463	1.609	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)OCCC[NH+]2CCCC2)c1	ZINC000800108557	982743250	/nfs/dbraw/zinc/74/32/50/982743250.db2.gz	CYMWYYJPSPTTHD-UHFFFAOYSA-N	1	0	352.456	1.794	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)C(C)C	ZINC000859357679	982743408	/nfs/dbraw/zinc/74/34/08/982743408.db2.gz	VZLPOYOWOOQDPB-HAJKQMQPSA-N	1	0	362.470	1.522	20	30		FDEDRO
CCN(CC(=O)Nc1ccccc1OC)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884053052	982770220	/nfs/dbraw/zinc/77/02/20/982770220.db2.gz	KBHBNOBEWKBRFI-RDYUPDBUSA-N	1	0	370.453	1.622	20	30		FDEDRO
CC[NH+](CC)CCCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000800185913	982788615	/nfs/dbraw/zinc/78/86/15/982788615.db2.gz	PMIZTTSDSJPTOS-CQSZACIVSA-N	1	0	367.471	1.500	20	30		FDEDRO
CC[NH+](CC)CCCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000800186429	982789093	/nfs/dbraw/zinc/78/90/93/982789093.db2.gz	VTNASODVYJPIBO-CQSZACIVSA-N	1	0	367.471	1.500	20	30		FDEDRO
C[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccc2c(c1)CCC(=O)N2	ZINC000884088386	982846635	/nfs/dbraw/zinc/84/66/35/982846635.db2.gz	IOGXLHJNIPQOFG-JEDQCGLWSA-N	1	0	352.438	1.888	20	30		FDEDRO
CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1	ZINC000884099611	982864406	/nfs/dbraw/zinc/86/44/06/982864406.db2.gz	UFUJZWPLBZMPAC-KQNYQFSSSA-N	1	0	360.502	1.669	20	30		FDEDRO
Cc1cccc(C)c1OC[C@@H](O)CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884104530	982871614	/nfs/dbraw/zinc/87/16/14/982871614.db2.gz	OLZQFWKGYPPWOP-RXCRORICSA-N	1	0	357.454	1.299	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCN(c3ccccc3F)C1=O)C2	ZINC000884137177	982919555	/nfs/dbraw/zinc/91/95/55/982919555.db2.gz	GEZGPJYVLGFLOP-GXJBLNRDSA-N	1	0	356.401	1.187	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCCCN1C(=O)COc3ccccc31)C2	ZINC000884151693	982930580	/nfs/dbraw/zinc/93/05/80/982930580.db2.gz	RWWQQMXDOWUKII-CHWWFWEZSA-N	1	0	368.437	1.058	20	30		FDEDRO
C[C@H]([NH3+])CN(C)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1	ZINC000859635809	982952176	/nfs/dbraw/zinc/95/21/76/982952176.db2.gz	YBTGTQHWUWRCLF-OGAOFSLMSA-N	1	0	367.475	1.310	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1cc(Br)c[nH]c1=O)C2	ZINC000884199574	982975425	/nfs/dbraw/zinc/97/54/25/982975425.db2.gz	DGFRZDHXMDBWRE-PUUHTONNSA-N	1	0	351.204	1.628	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1	ZINC000884211782	982988601	/nfs/dbraw/zinc/98/86/01/982988601.db2.gz	NSJNHINIGWBULI-JQHSSLGASA-N	1	0	359.470	1.602	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1	ZINC000884212865	982989728	/nfs/dbraw/zinc/98/97/28/982989728.db2.gz	OIZMKWMBHREVLL-SFHVURJKSA-N	1	0	359.470	1.556	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1	ZINC000884213116	982990313	/nfs/dbraw/zinc/99/03/13/982990313.db2.gz	UERFFTIAGXSAAO-KRWDZBQOSA-N	1	0	359.470	1.556	20	30		FDEDRO
CCc1nsc(N2CCCN(C(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CC2)n1	ZINC000884232181	983006770	/nfs/dbraw/zinc/00/67/70/983006770.db2.gz	KVLWXLLUHLKRJI-FVRSWCFKSA-N	1	0	374.514	1.279	20	30		FDEDRO
N#C[C@H]1C[NH2+]C[C@H]1NC(=O)COCCc1ccc(Br)cc1	ZINC000884249386	983026919	/nfs/dbraw/zinc/02/69/19/983026919.db2.gz	KNFLWJWNKQTWIU-GXTWGEPZSA-N	1	0	352.232	1.236	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000884314689	983077000	/nfs/dbraw/zinc/07/70/00/983077000.db2.gz	RPYNKYIKFLXECQ-AEFFLSMTSA-N	1	0	359.470	1.556	20	30		FDEDRO
COC(=O)c1ccc2c(c1)CN(C(=O)C1CC3(C1)C[NH2+]C[C@H]3C#N)CC2	ZINC000884318465	983079984	/nfs/dbraw/zinc/07/99/84/983079984.db2.gz	WYWQJYKQAPDKFL-OHTSDLOESA-N	1	0	353.422	1.497	20	30		FDEDRO
COc1cc(NCCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc(OC)c1	ZINC000884326983	983088122	/nfs/dbraw/zinc/08/81/22/983088122.db2.gz	GHHNXXPYCFDKMD-BIWSTMPVSA-N	1	0	358.442	1.371	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NCCCn2cc(Br)cn2)C1	ZINC000884352889	983109708	/nfs/dbraw/zinc/10/97/08/983109708.db2.gz	QLWMHGGLRRBABY-CQSZACIVSA-N	1	0	368.279	1.433	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000884450289	983162430	/nfs/dbraw/zinc/16/24/30/983162430.db2.gz	DKBYOJMIJUZIEJ-NJAFHUGGSA-N	1	0	359.470	1.317	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)c1ccc(C#N)cc1	ZINC000884541468	983232980	/nfs/dbraw/zinc/23/29/80/983232980.db2.gz	FKHUEBCHHHWGNA-ZLKJLUDKSA-N	1	0	368.359	1.331	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](NC(C)=O)C1CCCC1)C2	ZINC001110788937	983542123	/nfs/dbraw/zinc/54/21/23/983542123.db2.gz	CWQCXYZZXIRGOZ-AKHDSKFASA-N	1	0	361.486	1.053	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](NC(C)=O)C1CCCC1)C2	ZINC001110789385	983550712	/nfs/dbraw/zinc/55/07/12/983550712.db2.gz	WHQYKXDBQZTGHL-YRXWBPOGSA-N	1	0	363.502	1.605	20	30		FDEDRO
CCCCCCCNC(=O)C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1	ZINC000861785182	983919525	/nfs/dbraw/zinc/91/95/25/983919525.db2.gz	DOPLAIDBIYYYMH-SJORKVTESA-N	1	0	353.507	1.818	20	30		FDEDRO
CCCCCCCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000861785996	983920049	/nfs/dbraw/zinc/92/00/49/983920049.db2.gz	OPSVMTJPBGCGJH-ULQDDVLXSA-N	1	0	353.507	1.818	20	30		FDEDRO
CCCCCCCNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1	ZINC000861786310	983920392	/nfs/dbraw/zinc/92/03/92/983920392.db2.gz	VLKYHELFULDZLW-IRXDYDNUSA-N	1	0	353.507	1.818	20	30		FDEDRO
O=C(C#Cc1ccc2c(c1)OCO2)N1CCC([N@@H+]2CCCOCC2)CC1	ZINC000861984984	984023398	/nfs/dbraw/zinc/02/33/98/984023398.db2.gz	PVHHOCRZARRRHR-UHFFFAOYSA-N	1	0	356.422	1.480	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH2+]CCn1cnc(C#N)n1	ZINC000862365622	984360518	/nfs/dbraw/zinc/36/05/18/984360518.db2.gz	UZYYZYFEZWMAIB-NSHDSACASA-N	1	0	356.377	1.384	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(CC)[nH]c(=O)c1)C2	ZINC001110820236	984390556	/nfs/dbraw/zinc/39/05/56/984390556.db2.gz	OCWWMOJQPFBRAE-YYQUZTFQSA-N	1	0	372.469	1.375	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@@H]1C	ZINC000653334871	1015035359	/nfs/dbraw/zinc/03/53/59/1015035359.db2.gz	IVDDQOACPGPIII-BBWFWOEESA-N	1	0	358.486	1.982	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1	ZINC000869191299	984934700	/nfs/dbraw/zinc/93/47/00/984934700.db2.gz	URTIPUIIIPZTON-HNAYVOBHSA-N	1	0	368.481	1.920	20	30		FDEDRO
C[NH+](C)[C@]1(CNS(=O)(=O)c2ccc(CCC#N)cc2)CCSC1	ZINC000885042296	985131651	/nfs/dbraw/zinc/13/16/51/985131651.db2.gz	LTYKQIRZIGDDNJ-INIZCTEOSA-N	1	0	353.513	1.858	20	30		FDEDRO
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1	ZINC000869783165	985341805	/nfs/dbraw/zinc/34/18/05/985341805.db2.gz	BHNRXFHMADBCIN-AWEZNQCLSA-N	1	0	356.426	1.825	20	30		FDEDRO
CCOC(=O)c1ccc(N2CC[NH+](C[C@@H](O)CC3(C#N)CCC3)CC2)nc1	ZINC000885956728	985797768	/nfs/dbraw/zinc/79/77/68/985797768.db2.gz	XLUFCNJXAPFLOZ-KRWDZBQOSA-N	1	0	372.469	1.825	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(C[NH2+]CCc2nnc3c(=O)n(C)ccn23)cc1	ZINC000886283738	986021151	/nfs/dbraw/zinc/02/11/51/986021151.db2.gz	FVKIMPBLTNKWOT-ZDUSSCGKSA-N	1	0	352.398	1.051	20	30		FDEDRO
C#CC[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C1	ZINC000886361512	986100106	/nfs/dbraw/zinc/10/01/06/986100106.db2.gz	KJIMRDVTUMDZEB-KGLIPLIRSA-N	1	0	357.410	1.840	20	30		FDEDRO
C#CC[C@@H]1CC[N@@H+](CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)C1	ZINC000886362589	986101858	/nfs/dbraw/zinc/10/18/58/986101858.db2.gz	DWYDMFXCXAYBID-QGZVFWFLSA-N	1	0	353.466	1.753	20	30		FDEDRO
C#CCN(C(=O)CCc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](C)CC1	ZINC000886571089	986370956	/nfs/dbraw/zinc/37/09/56/986370956.db2.gz	INBSXJTWYKWQGC-UHFFFAOYSA-N	1	0	362.495	1.579	20	30		FDEDRO
C#CCN(C(=O)[C@H](C[C@H]1COCCO1)C(F)(F)F)C1CC[NH+](C)CC1	ZINC000886573467	986371837	/nfs/dbraw/zinc/37/18/37/986371837.db2.gz	JRCBJUAAHIXBRO-GJZGRUSLSA-N	1	0	362.392	1.526	20	30		FDEDRO
C#CCN(C(=O)c1cnn(Cc2ccccc2)c1N)C1CC[NH+](C)CC1	ZINC000886573438	986372299	/nfs/dbraw/zinc/37/22/99/986372299.db2.gz	IRIIKHGQYUDNDV-UHFFFAOYSA-N	1	0	351.454	1.683	20	30		FDEDRO
C#CCN(C(=O)c1cn(-c2cccc(OC)c2)nn1)C1CC[NH+](C)CC1	ZINC000886576017	986375740	/nfs/dbraw/zinc/37/57/40/986375740.db2.gz	TZTIDSAYIKMEFW-UHFFFAOYSA-N	1	0	353.426	1.446	20	30		FDEDRO
C#CCN(C(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1)C1CC[NH+](C)CC1	ZINC000886581255	986383921	/nfs/dbraw/zinc/38/39/21/986383921.db2.gz	PPMAMBICKPYKNL-SFHVURJKSA-N	1	0	368.481	1.490	20	30		FDEDRO
C#CCN(C(=O)c1ccc(OC)c(N2CCNC2=O)c1)C1CC[NH+](C)CC1	ZINC000886581131	986384192	/nfs/dbraw/zinc/38/41/92/986384192.db2.gz	KPQABBDDMHEIDN-UHFFFAOYSA-N	1	0	370.453	1.394	20	30		FDEDRO
C#CCN(C(=O)COc1ccc(C=O)cc1[N+](=O)[O-])C1CC[NH+](C)CC1	ZINC000886580980	986384484	/nfs/dbraw/zinc/38/44/84/986384484.db2.gz	FQSGMLYTEMRWFQ-UHFFFAOYSA-N	1	0	359.382	1.342	20	30		FDEDRO
C#CCN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1	ZINC000886587130	986393778	/nfs/dbraw/zinc/39/37/78/986393778.db2.gz	ICDKRUBDVINCAA-UHFFFAOYSA-N	1	0	372.425	1.271	20	30		FDEDRO
CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C1(C)C	ZINC000870981913	986558959	/nfs/dbraw/zinc/55/89/59/986558959.db2.gz	STJJRDOVSUYBOI-XLIONFOSSA-N	1	0	374.460	1.878	20	30		FDEDRO
C=CCC1(O)CC[NH+]([C@@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)CC1	ZINC000886771219	986576084	/nfs/dbraw/zinc/57/60/84/986576084.db2.gz	DVZXHCCKYHKWDZ-JKSUJKDBSA-N	1	0	360.454	1.734	20	30		FDEDRO
Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1	ZINC000871048073	986614799	/nfs/dbraw/zinc/61/47/99/986614799.db2.gz	NXIJAYCYHJGGPP-RDJZCZTQSA-N	1	0	352.442	1.796	20	30		FDEDRO
C=CCn1c([C@H]2CCOC2)nnc1N(CCOC)CC1CC[NH+](C)CC1	ZINC000871054470	986622214	/nfs/dbraw/zinc/62/22/14/986622214.db2.gz	SYQYDBRYAKELSP-KRWDZBQOSA-N	1	0	363.506	1.763	20	30		FDEDRO
COC(=O)CCN(CC#N)C(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1	ZINC000871344838	986912956	/nfs/dbraw/zinc/91/29/56/986912956.db2.gz	YQPXBDXTWPRENJ-SFHVURJKSA-N	1	0	357.454	1.856	20	30		FDEDRO
N#CC1(C[C@H](O)CN2CC3(C2)C[NH+](Cc2ccccc2)C3)CCOCC1	ZINC000871989216	987414643	/nfs/dbraw/zinc/41/46/43/987414643.db2.gz	ZSXKSTSNUXQZMF-IBGZPJMESA-N	1	0	355.482	1.876	20	30		FDEDRO
N#CC1(C[C@@H](O)CN2CC3(C2)C[NH+](Cc2ccccc2)C3)CCOCC1	ZINC000871989217	987414731	/nfs/dbraw/zinc/41/47/31/987414731.db2.gz	ZSXKSTSNUXQZMF-LJQANCHMSA-N	1	0	355.482	1.876	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(Cc2nc(C3CC[NH2+]CC3)no2)s1	ZINC000872170842	987476017	/nfs/dbraw/zinc/47/60/17/987476017.db2.gz	IRRZXANCIPXQBQ-UHFFFAOYSA-N	1	0	368.484	1.653	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]Cc1nc(C(F)(F)F)n2c1CCCC2	ZINC000872235141	987533901	/nfs/dbraw/zinc/53/39/01/987533901.db2.gz	CPLUQGLURKMGPH-LBPRGKRZSA-N	1	0	359.396	1.534	20	30		FDEDRO
O=S1(=O)NC(=NN=C2CCC[N@@H+]3CCSC[C@H]23)c2ccccc21	ZINC000872341940	987611806	/nfs/dbraw/zinc/61/18/06/987611806.db2.gz	DKWXIIAPODQRDT-CYBMUJFWSA-N	1	0	350.469	1.292	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N2CCC([N@H+](C)CCCO)CC2)c(C#N)c1	ZINC000872453711	987674306	/nfs/dbraw/zinc/67/43/06/987674306.db2.gz	OLKLLTIKEQXRFR-UHFFFAOYSA-N	1	0	351.472	1.334	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)NC(C)(C)CCN1CC[NH+](C)CC1	ZINC000872477897	987702444	/nfs/dbraw/zinc/70/24/44/987702444.db2.gz	NRCZVHSFLVCTLK-UHFFFAOYSA-N	1	0	364.515	1.561	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)c1	ZINC000872661959	987927201	/nfs/dbraw/zinc/92/72/01/987927201.db2.gz	AYNVBGRPPXKCSR-DLBZAZTESA-N	1	0	363.483	1.460	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(OC)cc1C(F)(F)F	ZINC000293330687	988038788	/nfs/dbraw/zinc/03/87/88/988038788.db2.gz	JJDABDFUEGLBSE-UHFFFAOYSA-N	1	0	371.359	1.724	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC[N@@H+](C2CCC2)C1	ZINC000293494844	988089511	/nfs/dbraw/zinc/08/95/11/988089511.db2.gz	VJPDBIVYQRPWQU-HNNXBMFYSA-N	1	0	366.465	1.780	20	30		FDEDRO
N#CCCN(CCN1CCOCC1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1	ZINC000365803628	988097982	/nfs/dbraw/zinc/09/79/82/988097982.db2.gz	YUSOLWGCTRZLJS-SFHVURJKSA-N	1	0	362.518	1.715	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2	ZINC000293529677	988101554	/nfs/dbraw/zinc/10/15/54/988101554.db2.gz	ZURQQTPELQCAHK-UHFFFAOYSA-N	1	0	371.437	1.738	20	30		FDEDRO
C[C@@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC[N@@H+](C2CCC2)C1	ZINC000293719826	988176694	/nfs/dbraw/zinc/17/66/94/988176694.db2.gz	PHNCEJSUZCCJLK-HNNXBMFYSA-N	1	0	354.454	1.621	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1	ZINC000872867905	988205528	/nfs/dbraw/zinc/20/55/28/988205528.db2.gz	YMCMUZOXNYVLQB-UHFFFAOYSA-N	1	0	352.523	1.191	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1	ZINC000360926485	988211779	/nfs/dbraw/zinc/21/17/79/988211779.db2.gz	JVJLHNSPGNQNAJ-ULQDDVLXSA-N	1	0	355.438	1.888	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1	ZINC000872927370	988294801	/nfs/dbraw/zinc/29/48/01/988294801.db2.gz	VOJDOXPXVUAZKF-INIZCTEOSA-N	1	0	356.474	1.517	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21	ZINC000361277808	988321929	/nfs/dbraw/zinc/32/19/29/988321929.db2.gz	FXEHSDSOXAAILB-LZLYRXPVSA-N	1	0	373.453	1.656	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)CC2)C1	ZINC000366201141	988535336	/nfs/dbraw/zinc/53/53/36/988535336.db2.gz	HJOQENOXKYFOLQ-WOJBJXKFSA-N	1	0	365.481	1.479	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1	ZINC000873107431	988568435	/nfs/dbraw/zinc/56/84/35/988568435.db2.gz	NUQHNDWZYKXNND-WCQYABFASA-N	1	0	354.332	1.287	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CCc1nc(-c2ccccn2)no1	ZINC000299600715	988620992	/nfs/dbraw/zinc/62/09/92/988620992.db2.gz	GEDZBUIHYCGPIH-UHFFFAOYSA-N	1	0	356.430	1.758	20	30		FDEDRO
CN(Cc1ccc(F)cc1)C(=O)C[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000366339091	988631875	/nfs/dbraw/zinc/63/18/75/988631875.db2.gz	JNWUOPIWQJVPBE-UHFFFAOYSA-N	1	0	356.405	1.584	20	30		FDEDRO
C=CCn1c([C@@H]2CCCO2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000295837259	988784458	/nfs/dbraw/zinc/78/44/58/988784458.db2.gz	DANSWLQUPXTNDH-HOTGVXAUSA-N	1	0	374.489	1.058	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)cc1C#N	ZINC000873652094	988936216	/nfs/dbraw/zinc/93/62/16/988936216.db2.gz	HNRWPQYYTFKOPW-UHFFFAOYSA-N	1	0	358.442	1.886	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)cc1C#N	ZINC000873659662	988949079	/nfs/dbraw/zinc/94/90/79/988949079.db2.gz	GPOHIVWMMJHNDP-UHFFFAOYSA-N	1	0	358.442	1.742	20	30		FDEDRO
C#CCNC(=O)NC1CCC([NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000368252289	988984670	/nfs/dbraw/zinc/98/46/70/988984670.db2.gz	LOHADXLAZMVBBF-UHFFFAOYSA-N	1	0	364.490	1.783	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1	ZINC000873690663	988998202	/nfs/dbraw/zinc/99/82/02/988998202.db2.gz	BFHISJNCRWMFQJ-UHFFFAOYSA-N	1	0	370.251	1.113	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(CC(=O)N2CCOCC2)CC1	ZINC000368802288	989009585	/nfs/dbraw/zinc/00/95/85/989009585.db2.gz	LHPZWBHKSTXUCQ-KRWDZBQOSA-N	1	0	365.518	1.760	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc3nccnc32)CC1	ZINC000873706622	989028404	/nfs/dbraw/zinc/02/84/04/989028404.db2.gz	PXWFZSZQVCFVMQ-UHFFFAOYSA-N	1	0	353.426	1.725	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1C#N	ZINC000873708528	989031808	/nfs/dbraw/zinc/03/18/08/989031808.db2.gz	SPGYESDWNXOFDE-INIZCTEOSA-N	1	0	356.426	1.592	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000363282931	989059291	/nfs/dbraw/zinc/05/92/91/989059291.db2.gz	QAXTXDIRCZEMJP-UHFFFAOYSA-N	1	0	374.489	1.190	20	30		FDEDRO
CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(OC)c(C#N)c2)CC1	ZINC000873721460	989061130	/nfs/dbraw/zinc/06/11/30/989061130.db2.gz	VSPBHWQCJLQHSN-UHFFFAOYSA-N	1	0	358.442	1.744	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CCN2c3ccccc3O[C@@H](C)C2=O)CC1	ZINC000369593887	989062292	/nfs/dbraw/zinc/06/22/92/989062292.db2.gz	WBTHXNLNYPFOOB-INIZCTEOSA-N	1	0	369.465	1.795	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1	ZINC000296281708	989094501	/nfs/dbraw/zinc/09/45/01/989094501.db2.gz	IHYHOSIEKGQNER-SFHVURJKSA-N	1	0	372.469	1.558	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(C[C@@H](O)COc3ccc(C#N)cc3)CC2)C1	ZINC000363416048	989179772	/nfs/dbraw/zinc/17/97/72/989179772.db2.gz	AVCAKMRAGRNSCX-RBUKOAKNSA-N	1	0	358.486	1.010	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1cccc(F)c1	ZINC000363519375	989268271	/nfs/dbraw/zinc/26/82/71/989268271.db2.gz	GJBMYNRAMTYZNE-QZTJIDSGSA-N	1	0	359.449	1.810	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(OC)cc2)CC1	ZINC000363541157	989282648	/nfs/dbraw/zinc/28/26/48/989282648.db2.gz	GHDJDVGBULNMTJ-AZUAARDMSA-N	1	0	371.481	1.981	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@H]2CCCN(c3ccccc3OC)C2=O)CC1	ZINC000363543854	989286014	/nfs/dbraw/zinc/28/60/14/989286014.db2.gz	GHERTKPTEMKUIF-SFHVURJKSA-N	1	0	369.465	1.652	20	30		FDEDRO
C[NH+]1CCN(Cc2cccc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)c2)CC1	ZINC000369927887	989313223	/nfs/dbraw/zinc/31/32/23/989313223.db2.gz	OWXSUSDVWUXTKO-FQEVSTJZSA-N	1	0	367.497	1.246	20	30		FDEDRO
C=CCN(C(=O)c1[nH]c(=O)[nH]c(=O)c1N)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000369933447	989320389	/nfs/dbraw/zinc/32/03/89/989320389.db2.gz	DKUUPKJXTTXKMS-CQSZACIVSA-N	1	0	369.425	1.373	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)N[C@H]1CCC[N@@H+](C2CCCCC2)C1	ZINC000369938803	989324666	/nfs/dbraw/zinc/32/46/66/989324666.db2.gz	ZUUSDFYIWJPWAD-DNTCVELPSA-N	1	0	374.485	1.816	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)C1	ZINC000369938695	989324779	/nfs/dbraw/zinc/32/47/79/989324779.db2.gz	VWDQNMMFQQIFLI-WMZOPIPTSA-N	1	0	355.486	1.936	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCN(C(=O)Nc2ccccc2)C1	ZINC000296613145	989327665	/nfs/dbraw/zinc/32/76/65/989327665.db2.gz	LZTYLVZVQPHSMW-KRWDZBQOSA-N	1	0	357.458	1.547	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000296928921	989449988	/nfs/dbraw/zinc/44/99/88/989449988.db2.gz	OUYOJNVPIBYTHK-GOSISDBHSA-N	1	0	367.453	1.308	20	30		FDEDRO
CCOc1ncc(C)cc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000297127507	989481200	/nfs/dbraw/zinc/48/12/00/989481200.db2.gz	XGLMHNGHMKKBQY-UHFFFAOYSA-N	1	0	361.446	1.421	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1	ZINC000364353637	989546240	/nfs/dbraw/zinc/54/62/40/989546240.db2.gz	MRXMHRMWMFGYSO-RBUKOAKNSA-N	1	0	368.481	1.897	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)[C@@H](C#N)C1	ZINC000370307798	989646486	/nfs/dbraw/zinc/64/64/86/989646486.db2.gz	DYXQOLAFRPPWNR-OAGGEKHMSA-N	1	0	362.474	1.832	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cc1	ZINC000297723490	989659585	/nfs/dbraw/zinc/65/95/85/989659585.db2.gz	YUTYOZVMFMJVDI-FQEVSTJZSA-N	1	0	372.513	1.770	20	30		FDEDRO
C=CCc1cc(C(=O)N2CCN(CC[NH+](C)C)CC2)cc(OC)c1OC	ZINC000298081610	989883800	/nfs/dbraw/zinc/88/38/00/989883800.db2.gz	OUELVYVSRLZBQM-UHFFFAOYSA-N	1	0	361.486	1.752	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1	ZINC000370651509	989919010	/nfs/dbraw/zinc/91/90/10/989919010.db2.gz	KAHQYMHWOVDFOZ-INIZCTEOSA-N	1	0	367.490	1.779	20	30		FDEDRO
C[C@@H]1CN(Cc2cnc3ccc(C#N)cn23)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000370705749	989941553	/nfs/dbraw/zinc/94/15/53/989941553.db2.gz	IVCBBPGXHYNJNK-APWZRJJASA-N	1	0	352.486	1.664	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3CC(C)C)[C@@H](O)C2)C1	ZINC000968679748	1015524551	/nfs/dbraw/zinc/52/45/51/1015524551.db2.gz	QEAWUHHJFROVHQ-ZACQAIPSSA-N	1	0	363.502	1.151	20	30		FDEDRO
Cc1oc(NC(=O)CN2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)c(C#N)c1C	ZINC000370816365	990009620	/nfs/dbraw/zinc/00/96/20/990009620.db2.gz	KLKKLRHAHPNCNJ-CVEARBPZSA-N	1	0	360.458	1.628	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCO2)CC1	ZINC000365133918	990054408	/nfs/dbraw/zinc/05/44/08/990054408.db2.gz	MPWZXNYDIVCCDT-ZWKOTPCHSA-N	1	0	363.502	1.703	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCCN2C(=O)[C@@H]2CCCO2)CC1	ZINC000365133915	990054492	/nfs/dbraw/zinc/05/44/92/990054492.db2.gz	MPWZXNYDIVCCDT-MSOLQXFVSA-N	1	0	363.502	1.703	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2OCCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)[C@@H]2C1	ZINC000298626226	990203859	/nfs/dbraw/zinc/20/38/59/990203859.db2.gz	VINMHMKSRRXSAF-CVEARBPZSA-N	1	0	374.510	1.842	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH+]1CCC(c2nc3c(cccc3F)[nH]2)CC1	ZINC000365486700	990242795	/nfs/dbraw/zinc/24/27/95/990242795.db2.gz	SARFASJYVJFVIT-UHFFFAOYSA-N	1	0	359.405	1.893	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1	ZINC000298726050	990244279	/nfs/dbraw/zinc/24/42/79/990244279.db2.gz	KBRMPTWJTWCGGW-IRXDYDNUSA-N	1	0	354.458	1.412	20	30		FDEDRO
CC[N@H+](CCNC(=O)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O)C1CC1	ZINC000371102252	990250178	/nfs/dbraw/zinc/25/01/78/990250178.db2.gz	VXBVDKHNFSGVCH-VLIAUNLRSA-N	1	0	367.453	1.526	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)CC[NH+](C)C)s1	ZINC000874470458	990313172	/nfs/dbraw/zinc/31/31/72/990313172.db2.gz	JZBFRGQTTDNNTC-GFCCVEGCSA-N	1	0	359.517	1.211	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1	ZINC000371230102	990315465	/nfs/dbraw/zinc/31/54/65/990315465.db2.gz	OWYCTVOIJZJKEK-HKUYNNGSSA-N	1	0	366.465	1.650	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)NC[C@@H]2CN3CCCC[C@H]3CO2)c1C#N	ZINC000371355449	990376657	/nfs/dbraw/zinc/37/66/57/990376657.db2.gz	QBKNGICRAUODJW-LSDHHAIUSA-N	1	0	356.426	1.175	20	30		FDEDRO
CN1CC[NH+](C[C@@H]2CCCN(CC(=O)NCc3ccc(C#N)cc3)C2)CC1	ZINC000371425687	990422390	/nfs/dbraw/zinc/42/23/90/990422390.db2.gz	UNUWRBHFFXVQRX-FQEVSTJZSA-N	1	0	369.513	1.134	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1ccc(CNC(=O)C#Cc2cccs2)cc1	ZINC000825747592	990428278	/nfs/dbraw/zinc/42/82/78/990428278.db2.gz	ZSQIRPCVKPRNFK-UHFFFAOYSA-N	1	0	355.463	1.707	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H]4[C@@H]3CCC[N@H+]4C)cc2C1=O	ZINC000874848502	990577811	/nfs/dbraw/zinc/57/78/11/990577811.db2.gz	SZLGZZVJAGNZAZ-IRXDYDNUSA-N	1	0	353.422	1.777	20	30		FDEDRO
Cc1nc(CN2CCC[C@@H]([NH2+]Cc3cnc4ccc(C#N)cn34)C2)no1	ZINC000371722311	990658258	/nfs/dbraw/zinc/65/82/58/990658258.db2.gz	DNZWIIJOLQGIKY-OAHLLOKOSA-N	1	0	351.414	1.652	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1	ZINC000874995144	990696984	/nfs/dbraw/zinc/69/69/84/990696984.db2.gz	XEYOJZPNVDIAFW-RBUKOAKNSA-N	1	0	371.481	1.484	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1	ZINC000875047465	990789598	/nfs/dbraw/zinc/78/95/98/990789598.db2.gz	GLRIPABYVIJYCJ-LJQANCHMSA-N	1	0	371.481	1.443	20	30		FDEDRO
CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NCCNc1ccc(C#N)cn1	ZINC000875086023	990865208	/nfs/dbraw/zinc/86/52/08/990865208.db2.gz	MQMSJKUTCITDAC-UHFFFAOYSA-N	1	0	372.473	1.119	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000875088741	990871532	/nfs/dbraw/zinc/87/15/32/990871532.db2.gz	DRAXLIGRKLLZJW-RTBURBONSA-N	1	0	371.481	1.312	20	30		FDEDRO
C=CCNc1ncc(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)s1	ZINC000372073441	990913702	/nfs/dbraw/zinc/91/37/02/990913702.db2.gz	WYWKYMQGRPZBIL-CJNGLKHVSA-N	1	0	374.514	2.287	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1	ZINC000875136058	990945979	/nfs/dbraw/zinc/94/59/79/990945979.db2.gz	DSMLPWBCIBGGTD-RTBURBONSA-N	1	0	371.481	1.403	20	30		FDEDRO
C[N@H+](CCNC(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O)C1CC1	ZINC000372209909	990961931	/nfs/dbraw/zinc/96/19/31/990961931.db2.gz	MOYBRPLSOCRPBN-ORAYPTAESA-N	1	0	353.426	1.136	20	30		FDEDRO
CN1CCN(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C[C@H]1C#N	ZINC000372224104	990969605	/nfs/dbraw/zinc/96/96/05/990969605.db2.gz	WGVSJFZKEDRWDS-GOSISDBHSA-N	1	0	359.449	1.639	20	30		FDEDRO
N#C[C@@H]1CN(C[C@H](O)COc2ccccc2)C[C@@]12C(=O)Nc1ccccc12	ZINC000372229701	990972518	/nfs/dbraw/zinc/97/25/18/990972518.db2.gz	YQKCYRWUTAHSTG-VWKPWSFCSA-N	1	0	363.417	1.772	20	30		FDEDRO
C=C[C@H](CC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1	ZINC000372288936	990997605	/nfs/dbraw/zinc/99/76/05/990997605.db2.gz	VLLKCHGACNZRJQ-UYAOXDASSA-N	1	0	357.498	1.869	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccncc1	ZINC000875205100	991073680	/nfs/dbraw/zinc/07/36/80/991073680.db2.gz	ZMIIHMBPUOXJQY-QZTJIDSGSA-N	1	0	356.470	1.948	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)CC1	ZINC000875247544	991189550	/nfs/dbraw/zinc/18/95/50/991189550.db2.gz	JZQQRIRVAREYOB-ZWKOTPCHSA-N	1	0	371.485	1.197	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)c1	ZINC000372578146	991236873	/nfs/dbraw/zinc/23/68/73/991236873.db2.gz	KDAOJSYXDZTHEV-DOTOQJQBSA-N	1	0	356.426	1.114	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)cc1	ZINC000372579839	991239750	/nfs/dbraw/zinc/23/97/50/991239750.db2.gz	XZBGRBUDNZXNND-RDJZCZTQSA-N	1	0	356.426	1.114	20	30		FDEDRO
N#CCc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)cc1	ZINC000372579578	991240489	/nfs/dbraw/zinc/24/04/89/991240489.db2.gz	WLOQVVFLEQBNOK-WMZOPIPTSA-N	1	0	370.453	1.308	20	30		FDEDRO
C[C@@H]1C[NH+](CCC2CCN(CC(=O)NC3(C#N)CCC3)CC2)C[C@@H](C)O1	ZINC000372610122	991268261	/nfs/dbraw/zinc/26/82/61/991268261.db2.gz	KYJAQGKGNKYJIH-IAGOWNOFSA-N	1	0	362.518	1.760	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC000372618488	991272390	/nfs/dbraw/zinc/27/23/90/991272390.db2.gz	AMRDTLSKMRGNPL-HUUCEWRRSA-N	1	0	359.401	1.519	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@H]1CO	ZINC000372653608	991303298	/nfs/dbraw/zinc/30/32/98/991303298.db2.gz	KZDIZTWPRUZVTI-IRXDYDNUSA-N	1	0	370.453	1.253	20	30		FDEDRO
Cc1cc([C@@H]2CCC[N@@H+](CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)C2)[nH]n1	ZINC000373138391	991949632	/nfs/dbraw/zinc/94/96/32/991949632.db2.gz	IJMBUFXVLFEHBN-MJGOQNOKSA-N	1	0	372.517	1.590	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000410909944	991992073	/nfs/dbraw/zinc/99/20/73/991992073.db2.gz	MVNJPVFLBZXMES-KDURUIRLSA-N	1	0	371.481	1.238	20	30		FDEDRO
Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Oc2cccc(OCC#N)c2)cn1	ZINC000875792832	991999303	/nfs/dbraw/zinc/99/93/03/991999303.db2.gz	ZYCOQFRCOLWHMH-MSOLQXFVSA-N	1	0	354.410	1.963	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000875916707	992187447	/nfs/dbraw/zinc/18/74/47/992187447.db2.gz	MEGVTBBRNMBGNQ-WMZOPIPTSA-N	1	0	350.507	1.225	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000875917761	992190111	/nfs/dbraw/zinc/19/01/11/992190111.db2.gz	FWJLNNUSDAPTNK-VAMGGRTRSA-N	1	0	373.497	1.597	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1	ZINC000875924136	992197229	/nfs/dbraw/zinc/19/72/29/992197229.db2.gz	HIVYJUWJVRHWMG-QGZVFWFLSA-N	1	0	350.507	1.084	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC(n3cnc(C#N)n3)CC2)CC1	ZINC000373460394	992229726	/nfs/dbraw/zinc/22/97/26/992229726.db2.gz	OGOODMRZXAUBNA-UHFFFAOYSA-N	1	0	357.462	1.537	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CC[NH+]([C@H]3CCC[C@H]3O)CC1)C2	ZINC000876283544	992522944	/nfs/dbraw/zinc/52/29/44/992522944.db2.gz	BQBDWTIDCGKZLD-CEXWTWQISA-N	1	0	354.454	1.266	20	30		FDEDRO
C=CC[N@@H+](C)CCN(CC)CC(=O)Nc1cc(-n2cnnn2)ccc1F	ZINC000411644993	992528054	/nfs/dbraw/zinc/52/80/54/992528054.db2.gz	SAFHDXZCRWUFAR-UHFFFAOYSA-N	1	0	361.425	1.180	20	30		FDEDRO
C=CC[N@@H+](C)CCN(CC)[C@H](C)C(=O)NC[C@H]1COc2ccccc2O1	ZINC000411640487	992530212	/nfs/dbraw/zinc/53/02/12/992530212.db2.gz	KQJPGRVKNQXYKZ-SJORKVTESA-N	1	0	361.486	1.771	20	30		FDEDRO
C[NH+](C)CC1(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCC1	ZINC000373990936	992552326	/nfs/dbraw/zinc/55/23/26/992552326.db2.gz	SKLPPDTWESHSTL-KRWDZBQOSA-N	1	0	369.469	1.443	20	30		FDEDRO
C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CC(=O)N(CCC#N)CCC#N)C[C@H](C)O1	ZINC000374028357	992564726	/nfs/dbraw/zinc/56/47/26/992564726.db2.gz	ZMWOWWVGPXYJJQ-FGTMMUONSA-N	1	0	361.490	1.216	20	30		FDEDRO
CC[C@H](C)[C@H](NC(N)=O)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000374046464	992572152	/nfs/dbraw/zinc/57/21/52/992572152.db2.gz	VDHSWPBFPMPLGU-RDJZCZTQSA-N	1	0	371.485	1.744	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)C(=O)C2CC[NH+](Cc3cccnc3)CC2)C1=O	ZINC000374061082	992582417	/nfs/dbraw/zinc/58/24/17/992582417.db2.gz	KCFNAJIOEZHEBB-GOSISDBHSA-N	1	0	356.470	1.539	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)c1	ZINC000125956790	992610846	/nfs/dbraw/zinc/61/08/46/992610846.db2.gz	OKJOEPHVVAUTBX-UHFFFAOYSA-N	1	0	365.433	1.863	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC)C1	ZINC000374160102	992657326	/nfs/dbraw/zinc/65/73/26/992657326.db2.gz	LZRBLDLOJBFLFI-RYQLBKOJSA-N	1	0	357.454	1.883	20	30		FDEDRO
CCO[C@H]1C[C@@H](O)C12CC[NH+](CC(=O)N(C)C1(C#N)CCCCC1)CC2	ZINC000374180126	992676745	/nfs/dbraw/zinc/67/67/45/992676745.db2.gz	ABGNKLCWNDNLHA-SJORKVTESA-N	1	0	363.502	1.923	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)s1	ZINC000876535304	992689704	/nfs/dbraw/zinc/68/97/04/992689704.db2.gz	WWJJQLALIHTRBU-QWHCGFSZSA-N	1	0	371.528	1.341	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000876546353	992695666	/nfs/dbraw/zinc/69/56/66/992695666.db2.gz	ISVYGCUZWWKDOD-CQSZACIVSA-N	1	0	357.863	1.880	20	30		FDEDRO
COC(=O)[C@@H]1CN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC[N@H+](C)C1	ZINC000411921390	992710847	/nfs/dbraw/zinc/71/08/47/992710847.db2.gz	SHCCTSHQGORYGB-IRXDYDNUSA-N	1	0	372.469	1.358	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC1CCN(C(=O)C2CC2)CC1	ZINC000876574415	992713939	/nfs/dbraw/zinc/71/39/39/992713939.db2.gz	CKIXTLCDUQAILY-GOSISDBHSA-N	1	0	352.438	1.262	20	30		FDEDRO
CC(C)(C)CC(=O)N1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876586121	992721438	/nfs/dbraw/zinc/72/14/38/992721438.db2.gz	FWFFDSZFMUGRBQ-IBGZPJMESA-N	1	0	368.481	1.852	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)cc1	ZINC000411976963	992746226	/nfs/dbraw/zinc/74/62/26/992746226.db2.gz	JQBUPVSNIWSYIE-YZGWKJHDSA-N	1	0	365.433	1.499	20	30		FDEDRO
CC(C)CC(=O)N1CCC(NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876625887	992752028	/nfs/dbraw/zinc/75/20/28/992752028.db2.gz	IGCMERJWPVSFNG-FQEVSTJZSA-N	1	0	368.481	1.898	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCCC(=O)N1CCCCCC1	ZINC000876632073	992757713	/nfs/dbraw/zinc/75/77/13/992757713.db2.gz	CAWRLMYAPSJNIM-IBGZPJMESA-N	1	0	354.454	1.654	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1	ZINC000876634308	992758657	/nfs/dbraw/zinc/75/86/57/992758657.db2.gz	NOKVPHGBTCJMLX-UHFFFAOYSA-N	1	0	355.482	1.609	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](c1ccc(OC)cc1)N1CCOCC1	ZINC000876709959	992814893	/nfs/dbraw/zinc/81/48/93/992814893.db2.gz	CCEDMUHUCJNUAC-DLBZAZTESA-N	1	0	367.877	1.655	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCN(CC(F)(F)F)CC1	ZINC000876714627	992822178	/nfs/dbraw/zinc/82/21/78/992822178.db2.gz	AJAUHCYUUPFXML-OAHLLOKOSA-N	1	0	352.360	1.452	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1	ZINC000876720902	992833558	/nfs/dbraw/zinc/83/35/58/992833558.db2.gz	KCAMGUQPJCEKCH-YDHLFZDLSA-N	1	0	352.866	1.781	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1	ZINC000876734831	992850383	/nfs/dbraw/zinc/85/03/83/992850383.db2.gz	KEDDCJFWXOXMMQ-OAHLLOKOSA-N	1	0	350.850	1.483	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H]([NH3+])[C@@H](CC)C2)s1	ZINC000876834749	992930292	/nfs/dbraw/zinc/93/02/92/992930292.db2.gz	VGOVLHZQPGEVKJ-GXTWGEPZSA-N	1	0	371.528	1.341	20	30		FDEDRO
N#Cc1ccc(C2(C(=O)N3CC[C@@H](N4CC[NH2+]CC4)C3)CCCC2)cc1	ZINC000876846296	992935952	/nfs/dbraw/zinc/93/59/52/992935952.db2.gz	AQIMXSUDINRQEW-LJQANCHMSA-N	1	0	352.482	1.876	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC#N)N(C)C1CC[NH+](CCc2ccncc2)CC1	ZINC000374753170	992936677	/nfs/dbraw/zinc/93/66/77/992936677.db2.gz	UPWPOIDPNXCYFB-KRWDZBQOSA-N	1	0	357.502	1.781	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(c2ccc(C(=O)OC)cc2)C[C@H]1C	ZINC000876876359	992945157	/nfs/dbraw/zinc/94/51/57/992945157.db2.gz	OYSNJDMDBNOUJX-CZUORRHYSA-N	1	0	365.861	1.980	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1	ZINC000876877686	992946180	/nfs/dbraw/zinc/94/61/80/992946180.db2.gz	ZQBAVDYRKSNPLB-CYBMUJFWSA-N	1	0	361.833	1.317	20	30		FDEDRO
N#CC1(NC(=O)CN2CCCCC2=O)CC[NH+](Cc2ccccc2)CC1	ZINC000374866534	992959394	/nfs/dbraw/zinc/95/93/94/992959394.db2.gz	VVHZLSQQZJBISN-UHFFFAOYSA-N	1	0	354.454	1.673	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CC[C@@H](OCc2ccncc2)C1	ZINC000876909602	992962805	/nfs/dbraw/zinc/96/28/05/992962805.db2.gz	CPMKXSRWGDSZBK-UYAOXDASSA-N	1	0	362.433	1.958	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O	ZINC000876911473	992964038	/nfs/dbraw/zinc/96/40/38/992964038.db2.gz	DXXDXTZQRXYRIZ-YTQUADARSA-N	1	0	369.465	1.429	20	30		FDEDRO
C[C@@H]([C@H]1CN(Cc2ccccc2)CCO1)[N@H+](C)CCC(=O)N(C)CCC#N	ZINC000374907085	992966458	/nfs/dbraw/zinc/96/64/58/992966458.db2.gz	CHFRUCIFWROZBQ-AZUAARDMSA-N	1	0	372.513	1.970	20	30		FDEDRO
Cn1ncc(Br)c1CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000877148462	993070704	/nfs/dbraw/zinc/07/07/04/993070704.db2.gz	LLAWGOPEMBCECU-HNNXBMFYSA-N	1	0	374.242	1.557	20	30		FDEDRO
N#Cc1ccccc1N1CCC(NC(=O)c2[nH]nc3c2C[NH2+]CC3)CC1	ZINC000877174911	993087191	/nfs/dbraw/zinc/08/71/91/993087191.db2.gz	FUZFZYTWRUSINZ-UHFFFAOYSA-N	1	0	350.426	1.326	20	30		FDEDRO
CC(C)NC(=O)[C@H]1COC[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21	ZINC001137118102	993196816	/nfs/dbraw/zinc/19/68/16/993196816.db2.gz	MCHYXKBPNQPKSW-QRQLOZEOSA-N	1	0	357.454	1.808	20	30		FDEDRO
C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@H]2CCCCCN2CC#N)CC1	ZINC000968860910	1015771306	/nfs/dbraw/zinc/77/13/06/1015771306.db2.gz	BXIOTRVWBCLXTC-QRVBRYPASA-N	1	0	362.518	1.618	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH+]1CCC(CNS(C)(=O)=O)CC1	ZINC000877515753	993315477	/nfs/dbraw/zinc/31/54/77/993315477.db2.gz	OEKHHABYEUXYKO-UHFFFAOYSA-N	1	0	350.488	1.385	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000467843528	993389052	/nfs/dbraw/zinc/38/90/52/993389052.db2.gz	XTSIODTXKOPDJK-GOSISDBHSA-N	1	0	368.481	1.649	20	30		FDEDRO
CNS(=O)(=O)c1ccc(CC[NH2+][C@@H](C)CC2(C#N)CCOCC2)cc1	ZINC000877735178	993486873	/nfs/dbraw/zinc/48/68/73/993486873.db2.gz	KGCDZDJVMLUYBG-HNNXBMFYSA-N	1	0	365.499	1.826	20	30		FDEDRO
C=CC[C@@H](C)[NH+]1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000877923416	993556684	/nfs/dbraw/zinc/55/66/84/993556684.db2.gz	OPBMURCBFMADCS-CYBMUJFWSA-N	1	0	351.472	1.949	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCC[C@@H](C(N)=O)C1	ZINC000469318771	993823473	/nfs/dbraw/zinc/82/34/73/993823473.db2.gz	OVFQLXZKPOFDNZ-QZTJIDSGSA-N	1	0	356.470	1.740	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000469372963	993844579	/nfs/dbraw/zinc/84/45/79/993844579.db2.gz	HZUXYCMDRCJALQ-QZTJIDSGSA-N	1	0	373.501	1.476	20	30		FDEDRO
CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1)c1ccccc1	ZINC000878655071	994093692	/nfs/dbraw/zinc/09/36/92/994093692.db2.gz	ZBTFPPIQIYOGSB-VQTJNVASSA-N	1	0	367.453	1.848	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)N[C@@H]1CCC[N@@H+]3CCSC[C@@H]13)C2	ZINC000923942980	994285404	/nfs/dbraw/zinc/28/54/04/994285404.db2.gz	PXXWGKFCUOXWAE-KURKYZTESA-N	1	0	356.495	1.904	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H](c3ccc4cccnc4n3)C2)CC1	ZINC000878907039	994340518	/nfs/dbraw/zinc/34/05/18/994340518.db2.gz	WOYSFPPIPNWOGY-SFHVURJKSA-N	1	0	363.465	1.197	20	30		FDEDRO
Cc1cc(NC(=O)N2CCC([NH2+]C3CCOCC3)CC2)nn1CCC#N	ZINC000879078475	994516112	/nfs/dbraw/zinc/51/61/12/994516112.db2.gz	REMUUSYFCFHBSI-UHFFFAOYSA-N	1	0	360.462	1.870	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCc3c(CC(N)=O)cccc3C2)cc1	ZINC000879227738	994666291	/nfs/dbraw/zinc/66/62/91/994666291.db2.gz	LHOCHRHJCFPZAB-SFHVURJKSA-N	1	0	365.433	1.384	20	30		FDEDRO
CNC(=O)NC[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1	ZINC000879332882	994779064	/nfs/dbraw/zinc/77/90/64/994779064.db2.gz	MBSDBULFNBBZBH-SJORKVTESA-N	1	0	360.458	1.276	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)NCCCCCN2CC[NH2+]CC2)ccc1Cl	ZINC000923682962	994894547	/nfs/dbraw/zinc/89/45/47/994894547.db2.gz	WOWYPLFIYCXTDE-UHFFFAOYSA-N	1	0	370.906	1.565	20	30		FDEDRO
CC[C@H](C#N)Oc1cc(CN2C(=O)N[C@H](C[NH+](C)C)C2=O)ccc1OC	ZINC000924646086	994908885	/nfs/dbraw/zinc/90/88/85/994908885.db2.gz	JVXUBBLVMXXOBR-ZIAGYGMSSA-N	1	0	360.414	1.358	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)CC1	ZINC000965199019	1015901294	/nfs/dbraw/zinc/90/12/94/1015901294.db2.gz	WHANZGRXPWLQSY-ZACQAIPSSA-N	1	0	363.502	1.559	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@H](CO)[C@H](CO)C2)c1	ZINC000879695523	995193339	/nfs/dbraw/zinc/19/33/39/995193339.db2.gz	YGNDNTIJQILXAE-OKZBNKHCSA-N	1	0	359.470	1.471	20	30		FDEDRO
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12	ZINC000925168685	995362685	/nfs/dbraw/zinc/36/26/85/995362685.db2.gz	XINQRJYPGWKBOK-KSZLIROESA-N	1	0	374.510	1.813	20	30		FDEDRO
C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12	ZINC000925174687	995373090	/nfs/dbraw/zinc/37/30/90/995373090.db2.gz	DNDLLFZTJSQPEB-LSDHHAIUSA-N	1	0	367.515	1.553	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1	ZINC000879976565	995506572	/nfs/dbraw/zinc/50/65/72/995506572.db2.gz	WIFFQHASMRBNGX-KURKYZTESA-N	1	0	365.518	1.543	20	30		FDEDRO
C#CCC1(NC(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)CCOCC1	ZINC000925424581	995587190	/nfs/dbraw/zinc/58/71/90/995587190.db2.gz	KWEQRSWQHNXQTI-UHFFFAOYSA-N	1	0	370.453	1.606	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@@H]([NH2+]C2CCOCC2)C1	ZINC000880212102	995723474	/nfs/dbraw/zinc/72/34/74/995723474.db2.gz	YGNMWDOYTIWOMW-SUMDDJOVSA-N	1	0	350.507	1.662	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)CC1	ZINC000925905363	995813108	/nfs/dbraw/zinc/81/31/08/995813108.db2.gz	WZLSUZFVVYNFDR-GOSISDBHSA-N	1	0	371.485	1.245	20	30		FDEDRO
COC(=O)C1(C#N)CCN(C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)CC1	ZINC000925916867	995824815	/nfs/dbraw/zinc/82/48/15/995824815.db2.gz	RRJFOQSTRYNCCG-INIZCTEOSA-N	1	0	373.457	1.563	20	30		FDEDRO
C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cn(C)nn1	ZINC000925929067	995835504	/nfs/dbraw/zinc/83/55/04/995835504.db2.gz	IVRYILUHFBSLDR-CQSZACIVSA-N	1	0	355.446	1.521	20	30		FDEDRO
CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3cc(C)c(C#N)cn3)C2)[C@@H]1C(C)C	ZINC000926236439	995984917	/nfs/dbraw/zinc/98/49/17/995984917.db2.gz	OLRZJSPRQMIOQQ-FTEYMNFISA-N	1	0	356.470	1.861	20	30		FDEDRO
CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)[C@H](O)c3ccc(C#N)cc3)C2)[C@H]1C(C)C	ZINC000926248104	995995513	/nfs/dbraw/zinc/99/55/13/995995513.db2.gz	YMHVEVPTXGGXAQ-FKAKKMJLSA-N	1	0	371.481	1.578	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)NCC(=O)NCc1ccccc1)c1cccc(C#N)c1	ZINC000926965865	996378237	/nfs/dbraw/zinc/37/82/37/996378237.db2.gz	XAAJEBOZKKWKSK-HNNXBMFYSA-N	1	0	350.422	1.641	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)c1	ZINC000887033535	996845672	/nfs/dbraw/zinc/84/56/72/996845672.db2.gz	ULSGZZAMMIIQQO-GFCCVEGCSA-N	1	0	353.369	1.551	20	30		FDEDRO
C#CCC1([NH2+]C[C@H](O)COc2ccc(C(C)=O)cc2OC)CCOCC1	ZINC000887127771	996956390	/nfs/dbraw/zinc/95/63/90/996956390.db2.gz	YALJWEZLPKSOGL-KRWDZBQOSA-N	1	0	361.438	1.800	20	30		FDEDRO
CC(C)(C)NC(=[NH2+])NCc1cccc(NC(=O)CCN2CCOCC2)c1	ZINC000264068362	997394436	/nfs/dbraw/zinc/39/44/36/997394436.db2.gz	CFKODIQDEZMHJT-UHFFFAOYSA-N	1	0	361.490	1.550	20	30		FDEDRO
C[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)N(C)c1ccccc1	ZINC000264074510	997395089	/nfs/dbraw/zinc/39/50/89/997395089.db2.gz	FFRBXXQAFRLWIY-MRXNPFEDSA-N	1	0	353.474	1.438	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2nncn2-c2ccccc2)CC1	ZINC000264073647	997395592	/nfs/dbraw/zinc/39/55/92/997395592.db2.gz	DYAZHIUEAZAEBR-UHFFFAOYSA-N	1	0	371.445	1.293	20	30		FDEDRO
COc1cccc(C(=O)NCCNC(=[NH2+])Nc2ccc(OC)c(OC)c2)c1	ZINC000264120040	997405384	/nfs/dbraw/zinc/40/53/84/997405384.db2.gz	QVLRUAGSKXSVIU-UHFFFAOYSA-N	1	0	372.425	1.869	20	30		FDEDRO
COc1ccc(CCCNC(=[NH2+])N2CCN(c3ncccn3)CC2)cc1	ZINC000264117875	997405426	/nfs/dbraw/zinc/40/54/26/997405426.db2.gz	TYYKGLODJKLIFL-UHFFFAOYSA-N	1	0	354.458	1.555	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)NCCNC(=O)C1N=CC=CC1=O)c1ccccc1	ZINC000264734539	997586282	/nfs/dbraw/zinc/58/62/82/997586282.db2.gz	JVPOUPXRTAPWMC-BQASMSSTSA-N	1	0	371.441	1.115	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CCNC(=O)c1[nH]nc2ccccc21	ZINC000264752615	997593745	/nfs/dbraw/zinc/59/37/45/997593745.db2.gz	JTSIHCRRBIGUFY-UHFFFAOYSA-N	1	0	370.457	1.377	20	30		FDEDRO
C[NH+](C)CCn1nccc1C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1	ZINC000887736650	997713589	/nfs/dbraw/zinc/71/35/89/997713589.db2.gz	GIHGSIVHXDASNW-SFHVURJKSA-N	1	0	353.426	1.530	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1	ZINC000265453656	997788345	/nfs/dbraw/zinc/78/83/45/997788345.db2.gz	UWALRKLXXSJQCH-MRXNPFEDSA-N	1	0	374.485	1.190	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)Cc2cc(C#N)cs2)CC1=O	ZINC000887970525	997988334	/nfs/dbraw/zinc/98/83/34/997988334.db2.gz	CQHLKYCJYMSBLB-HZPDHXFCSA-N	1	0	374.510	1.911	20	30		FDEDRO
N#CCc1ccnc(NC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)c1	ZINC000889254138	998247501	/nfs/dbraw/zinc/24/75/01/998247501.db2.gz	PPKADBKNEGTYQG-QGZVFWFLSA-N	1	0	372.473	1.066	20	30		FDEDRO
C[C@@H]1CCCN(C(=[NH2+])NCCC(=O)N2CCN(c3ccccn3)CC2)C1	ZINC000104183373	998315475	/nfs/dbraw/zinc/31/54/75/998315475.db2.gz	PTJIZLZPTROIGU-MRXNPFEDSA-N	1	0	358.490	1.167	20	30		FDEDRO
N#CCCCCNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000889902876	998722657	/nfs/dbraw/zinc/72/26/57/998722657.db2.gz	OCYHIZZWTURYNB-SFHVURJKSA-N	1	0	369.469	1.720	20	30		FDEDRO
C[C@H](NC(=O)C(=O)Nc1cccc(CC#N)n1)[C@@H](c1ccccc1)[NH+](C)C	ZINC000890187262	998865868	/nfs/dbraw/zinc/86/58/68/998865868.db2.gz	DKNYITBWSPJPJM-KSSFIOAISA-N	1	0	365.437	1.894	20	30		FDEDRO
C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000890232826	998876059	/nfs/dbraw/zinc/87/60/59/998876059.db2.gz	XPGPNSXAGMWOBK-QAPCUYQASA-N	1	0	354.454	1.390	20	30		FDEDRO
CC#CCN(C)C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000890302013	998898074	/nfs/dbraw/zinc/89/80/74/998898074.db2.gz	ZIHUXOZFFSQWHT-SFHVURJKSA-N	1	0	354.454	1.391	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@H]2C[C@@]23CCN(C(=O)OC(C)(C)C)C3)CC1	ZINC000780622224	999039202	/nfs/dbraw/zinc/03/92/02/999039202.db2.gz	NFSIZQUPUDQGOF-RDTXWAMCSA-N	1	0	362.474	1.738	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)CC1	ZINC000266669544	999212294	/nfs/dbraw/zinc/21/22/94/999212294.db2.gz	IUEYRQBWZZMVFC-LBPRGKRZSA-N	1	0	372.425	1.111	20	30		FDEDRO
C=C1CC(C)(C(=O)N2CC3(C2)C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CO3)C1	ZINC000965716140	1016300487	/nfs/dbraw/zinc/30/04/87/1016300487.db2.gz	FWZSHMOOBQLNMG-OWCLPIDISA-N	1	0	361.486	1.169	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCCCNC(=O)C2CCC2)cc1OC	ZINC000267708086	999383703	/nfs/dbraw/zinc/38/37/03/999383703.db2.gz	SNKKGVTWNWKMCC-UHFFFAOYSA-N	1	0	362.474	1.457	20	30		FDEDRO
COc1ncccc1CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000268100992	999429590	/nfs/dbraw/zinc/42/95/90/999429590.db2.gz	WWSGJCGEIHGCAA-CQSZACIVSA-N	1	0	361.446	1.471	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2O[C@H]2CCOC2)CC1	ZINC000268407500	999437315	/nfs/dbraw/zinc/43/73/15/999437315.db2.gz	BZIHLPJEYSDCGX-INIZCTEOSA-N	1	0	373.453	1.559	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2c(C#N)nnc3ccccc32)CC1	ZINC000268839793	999457889	/nfs/dbraw/zinc/45/78/89/999457889.db2.gz	OJEPZUFAWRVDQU-QGZVFWFLSA-N	1	0	350.426	1.244	20	30		FDEDRO
Cc1cnccc1CCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000269994846	999497248	/nfs/dbraw/zinc/49/72/48/999497248.db2.gz	VWHVKGDOPNCNLM-MRXNPFEDSA-N	1	0	359.474	1.813	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+](C)CCNC(=O)C(C)C)c(OC)c1	ZINC000271268207	999682716	/nfs/dbraw/zinc/68/27/16/999682716.db2.gz	WNRXUKIIXWJGME-QGZVFWFLSA-N	1	0	364.486	1.867	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)NCCc1ccccn1)C(C)C	ZINC000283144840	999741514	/nfs/dbraw/zinc/74/15/14/999741514.db2.gz	PEGXUPZYJYBEGR-SFHVURJKSA-N	1	0	358.486	1.555	20	30		FDEDRO
CN1CCN(C(=O)CC[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)CC1	ZINC000283363740	999750633	/nfs/dbraw/zinc/75/06/33/999750633.db2.gz	BUGWBZDVUDAFMZ-UHFFFAOYSA-N	1	0	356.470	1.566	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1	ZINC000284077075	999776328	/nfs/dbraw/zinc/77/63/28/999776328.db2.gz	RHMUXEOTXNZKFO-MRXNPFEDSA-N	1	0	359.470	1.858	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)NCc1cccc(C#N)c1)c1ccc(F)cc1	ZINC000284126124	999777720	/nfs/dbraw/zinc/77/77/20/999777720.db2.gz	VPQRZCGKIJYBCM-SFHVURJKSA-N	1	0	368.412	1.733	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1	ZINC000284281115	999796473	/nfs/dbraw/zinc/79/64/73/999796473.db2.gz	XIOLWZJZHAQXDH-MSOLQXFVSA-N	1	0	359.470	1.462	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000284331287	999808696	/nfs/dbraw/zinc/80/86/96/999808696.db2.gz	OVZBITDUDMLVPB-OALUTQOASA-N	1	0	366.465	1.816	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C	ZINC000284363391	999816445	/nfs/dbraw/zinc/81/64/45/999816445.db2.gz	LHRUZRVNLNRNRK-OAHLLOKOSA-N	1	0	363.458	1.457	20	30		FDEDRO
C=CCCCNC(=O)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1	ZINC000284381995	999821043	/nfs/dbraw/zinc/82/10/43/999821043.db2.gz	HDRKGEHFKAYSPC-IAGOWNOFSA-N	1	0	373.497	1.994	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1	ZINC000284444706	999834396	/nfs/dbraw/zinc/83/43/96/999834396.db2.gz	ZPZHKWLIDNRSQA-KRWDZBQOSA-N	1	0	368.481	1.921	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000284960982	999888154	/nfs/dbraw/zinc/88/81/54/999888154.db2.gz	FLXWRXNLKYFGFL-SFHVURJKSA-N	1	0	366.465	1.673	20	30		FDEDRO
COC(=O)c1cnoc1CO[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1	ZINC000285035764	999896646	/nfs/dbraw/zinc/89/66/46/999896646.db2.gz	FSMYLRZDJNOZHI-UHFFFAOYSA-N	1	0	374.397	1.259	20	30		FDEDRO
Cc1nnc(COCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)s1	ZINC000285065878	999899607	/nfs/dbraw/zinc/89/96/07/999899607.db2.gz	JSXNPUXMHNUAKM-UHFFFAOYSA-N	1	0	373.482	1.825	20	30		FDEDRO
C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccn(-c4cccc(C#N)c4)n3)[C@@H]2C1	ZINC000285869702	999921987	/nfs/dbraw/zinc/92/19/87/999921987.db2.gz	RHLDBWQRHGCEED-QZTJIDSGSA-N	1	0	351.410	1.289	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccn(-c4cccc(C#N)c4)n3)[C@H]2C1	ZINC000285869711	999921997	/nfs/dbraw/zinc/92/19/97/999921997.db2.gz	RHLDBWQRHGCEED-ROUUACIJSA-N	1	0	351.410	1.289	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCC2(Cc3ccccc3)CC2)CC1	ZINC000286360398	999943978	/nfs/dbraw/zinc/94/39/78/999943978.db2.gz	BXKDILSGMVIOQP-UHFFFAOYSA-N	1	0	355.482	1.892	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000286492704	999944797	/nfs/dbraw/zinc/94/47/97/999944797.db2.gz	MQTHXAQZCFMDNK-UHFFFAOYSA-N	1	0	374.510	1.484	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)c2ccccc2F)CC1	ZINC000286493883	999944896	/nfs/dbraw/zinc/94/48/96/999944896.db2.gz	WCVJEZDRJMWNLT-UHFFFAOYSA-N	1	0	361.461	1.986	20	30		FDEDRO
CN(C(=O)C(=O)NCCCCC#N)[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000286811207	999951027	/nfs/dbraw/zinc/95/10/27/999951027.db2.gz	WBMWEQXBADCWDS-SFHVURJKSA-N	1	0	356.470	1.919	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000287290676	999956310	/nfs/dbraw/zinc/95/63/10/999956310.db2.gz	KBDLONHFEYBMPR-RDJZCZTQSA-N	1	0	359.470	1.809	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1	ZINC000287358797	999956888	/nfs/dbraw/zinc/95/68/88/999956888.db2.gz	NJDRYJLHRZODSV-UHOSZYNNSA-N	1	0	373.497	1.721	20	30		FDEDRO
CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NCCn1cnc(C#N)n1	ZINC000287824909	999963823	/nfs/dbraw/zinc/96/38/23/999963823.db2.gz	KGSAXJXIKRINKU-UHFFFAOYSA-N	1	0	369.473	1.703	20	30		FDEDRO
C[NH+](C)CCN1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000288294643	1000005258	/nfs/dbraw/zinc/00/52/58/1000005258.db2.gz	LGRJBBZALOOCGX-KRWDZBQOSA-N	1	0	373.476	1.229	20	30		FDEDRO
N#Cc1ccnc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1	ZINC000288506411	1000022425	/nfs/dbraw/zinc/02/24/25/1000022425.db2.gz	KRDFIWMXDWXXIJ-MSOLQXFVSA-N	1	0	350.422	1.566	20	30		FDEDRO
CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N(C)C[C@H](C)C#N)c1	ZINC000289032325	1000070121	/nfs/dbraw/zinc/07/01/21/1000070121.db2.gz	AWIZQJODUROIBQ-CQSZACIVSA-N	1	0	373.457	1.523	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000289404413	1000096827	/nfs/dbraw/zinc/09/68/27/1000096827.db2.gz	NQLMTRGTGQYNEQ-IEBWSBKVSA-N	1	0	373.497	1.722	20	30		FDEDRO
N#CCCn1cc(C[NH2+]CCCn2cc(CO)nn2)c(-c2ccccc2)n1	ZINC000289778243	1000118469	/nfs/dbraw/zinc/11/84/69/1000118469.db2.gz	JIWMZKFVDGCNFU-UHFFFAOYSA-N	1	0	365.441	1.727	20	30		FDEDRO
CCCNC(=O)CN1CCC(NC(=O)c2cc(C#N)cc(N(C)C)c2)CC1	ZINC000292713622	1000249515	/nfs/dbraw/zinc/24/95/15/1000249515.db2.gz	MGMDSOCHYLUPLP-UHFFFAOYSA-N	1	0	371.485	1.345	20	30		FDEDRO
N#C[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1	ZINC000927856580	1001130508	/nfs/dbraw/zinc/13/05/08/1001130508.db2.gz	BHNLFCYJFXDJHA-JTQLQIEISA-N	1	0	354.332	1.865	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(CC)[C@@H]2c2cccnc2)CC1	ZINC000928650628	1001608458	/nfs/dbraw/zinc/60/84/58/1001608458.db2.gz	DYHHTSNRFUMFBN-PKOBYXMFSA-N	1	0	354.454	1.205	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1	ZINC000928656306	1001611688	/nfs/dbraw/zinc/61/16/88/1001611688.db2.gz	RJTZEOIUUOWGEH-QGZVFWFLSA-N	1	0	359.857	1.907	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H](C(C)C)n2nnc(-c3ccccc3)n2)CC1	ZINC000928657552	1001613373	/nfs/dbraw/zinc/61/33/73/1001613373.db2.gz	NNLWVPQXZDRJIX-GOSISDBHSA-N	1	0	366.469	1.751	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1	ZINC000928659036	1001614476	/nfs/dbraw/zinc/61/44/76/1001614476.db2.gz	CLRCZMJFWXXSPF-UHFFFAOYSA-N	1	0	361.467	1.054	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1	ZINC000928720610	1001636490	/nfs/dbraw/zinc/63/64/90/1001636490.db2.gz	WMCWLDIHSXSAQS-WBVHZDCISA-N	1	0	357.458	1.324	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3cnc(C)n3C1)C2	ZINC001110949084	1001645951	/nfs/dbraw/zinc/64/59/51/1001645951.db2.gz	XNSRTIIYXWOYOK-RWQQGDIJSA-N	1	0	358.486	1.678	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cc1ccccc1	ZINC001111486435	1001705026	/nfs/dbraw/zinc/70/50/26/1001705026.db2.gz	ONGKOFLSYSXXBR-WCIQWLHISA-N	1	0	358.482	1.904	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC2CCN(C(=O)C[C@@H]3C[C@H]3C3CC3)CC2)CC1	ZINC000947748504	1001846612	/nfs/dbraw/zinc/84/66/12/1001846612.db2.gz	DBFRKDMXIPJMSN-ICSRJNTNSA-N	1	0	371.525	1.875	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H](c1cccs1)C1CC1)C1CC[NH+](C)CC1	ZINC000929275489	1001890173	/nfs/dbraw/zinc/89/01/73/1001890173.db2.gz	CLSSFWJBAHWAFM-QGZVFWFLSA-N	1	0	359.495	1.871	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)CC(F)(F)F)C[C@H]2C)CC1	ZINC000947847895	1001920550	/nfs/dbraw/zinc/92/05/50/1001920550.db2.gz	NRMLDTUBYHUXRH-TZMCWYRMSA-N	1	0	359.392	1.247	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)NC(C)(C)C1=O	ZINC001110966841	1001962391	/nfs/dbraw/zinc/96/23/91/1001962391.db2.gz	IADUPKMHDJYLQO-KFWWJZLASA-N	1	0	362.474	1.395	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)c1ccc(C#N)cc1	ZINC000929379482	1001982412	/nfs/dbraw/zinc/98/24/12/1001982412.db2.gz	LVXHQSRZKIYKSR-KBXCAEBGSA-N	1	0	370.453	1.105	20	30		FDEDRO
N#CC1(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCSCC1	ZINC000929470147	1002091002	/nfs/dbraw/zinc/09/10/02/1002091002.db2.gz	USBACPANPRNTIH-UHFFFAOYSA-N	1	0	372.538	1.957	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[NH+]2CCN(Cc3nccn3C)CC2)cc1	ZINC000929585683	1002229395	/nfs/dbraw/zinc/22/93/95/1002229395.db2.gz	JKKYHQUETNLHGT-UHFFFAOYSA-N	1	0	351.454	1.548	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCO[C@H]2c2nccn2C)CC1	ZINC000948449062	1002349909	/nfs/dbraw/zinc/34/99/09/1002349909.db2.gz	MGSVGUCOSPHLEL-RCCFBDPRSA-N	1	0	358.486	1.834	20	30		FDEDRO
C#CCN(C(=O)C(=O)NC[C@@H](C)c1ccc(F)cc1)C1CC[NH+](C)CC1	ZINC000929713006	1002369960	/nfs/dbraw/zinc/36/99/60/1002369960.db2.gz	ZKICZGXSCKLNKL-OAHLLOKOSA-N	1	0	359.445	1.601	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1	ZINC000965979570	1016647147	/nfs/dbraw/zinc/64/71/47/1016647147.db2.gz	DHUMFKNXCNFWBF-BDXSIMOUSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](Cc3nccs3)C2)CC1	ZINC000930007795	1002731192	/nfs/dbraw/zinc/73/11/92/1002731192.db2.gz	YHQNWFNXHARIDS-CQSZACIVSA-N	1	0	362.499	1.301	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CC(=O)NC)CC1	ZINC000948836711	1002745130	/nfs/dbraw/zinc/74/51/30/1002745130.db2.gz	MZDZEEBOTGAKQJ-BQFCYCMXSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CC(=O)NC)CC1	ZINC000948836712	1002745341	/nfs/dbraw/zinc/74/53/41/1002745341.db2.gz	MZDZEEBOTGAKQJ-RYRKJORJSA-N	1	0	351.491	1.417	20	30		FDEDRO
C#Cc1ccc(C(=O)NCC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)nc1	ZINC000949007982	1002924772	/nfs/dbraw/zinc/92/47/72/1002924772.db2.gz	JONJLKVNLGLVKU-CRAIPNDOSA-N	1	0	368.481	1.372	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H]1CCO[C@H](CC(C)C)C1)C1CC[NH+](C)CC1	ZINC000930266525	1002984043	/nfs/dbraw/zinc/98/40/43/1002984043.db2.gz	XUHLUHBZKHSFNJ-SJLPKXTDSA-N	1	0	363.502	1.252	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)Nc1ccc(-c2nnc(N(C)C)o2)cc1	ZINC000930424789	1003112860	/nfs/dbraw/zinc/11/28/60/1003112860.db2.gz	CNZBUGOVXHBCGE-UHFFFAOYSA-N	1	0	356.430	1.879	20	30		FDEDRO
COC(=O)COc1ccc(NC(=O)NCC#CC[NH+](C)C)cc1Cl	ZINC000930466561	1003168081	/nfs/dbraw/zinc/16/80/81/1003168081.db2.gz	KEJIHMOSQUWZMY-UHFFFAOYSA-N	1	0	353.806	1.578	20	30		FDEDRO
C#Cc1ccc(NC(=O)CCN2CCC(CO)([NH2+]CC3CC3)CC2)cc1	ZINC000930676482	1003388143	/nfs/dbraw/zinc/38/81/43/1003388143.db2.gz	XVPOLJAYWCQBFC-UHFFFAOYSA-N	1	0	355.482	1.823	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1C#N	ZINC000930717434	1003428090	/nfs/dbraw/zinc/42/80/90/1003428090.db2.gz	HVUDDSMQSZIXLV-GOSISDBHSA-N	1	0	354.454	1.616	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccccc2CN2CCNC2=O)CC1	ZINC000930725955	1003440352	/nfs/dbraw/zinc/44/03/52/1003440352.db2.gz	KXDACWFDQOYYGA-UHFFFAOYSA-N	1	0	355.442	1.431	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](c3cc(=O)[nH]c(=O)[nH]3)C2)cc1	ZINC000930843068	1003572242	/nfs/dbraw/zinc/57/22/42/1003572242.db2.gz	PQTMTLLORVUPPD-CQSZACIVSA-N	1	0	352.394	1.687	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOC[C@H]2CCCO2)nc1	ZINC001111293214	1003683400	/nfs/dbraw/zinc/68/34/00/1003683400.db2.gz	WECLVWZAWUVODN-LFGUQSLTSA-N	1	0	369.465	1.594	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1C#N	ZINC000930956582	1003710712	/nfs/dbraw/zinc/71/07/12/1003710712.db2.gz	FQHWCAIQDFBMSH-ZWKOTPCHSA-N	1	0	354.454	1.616	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1cc(COC)cs1)C1CC[NH+](C)CC1	ZINC000930993350	1003750348	/nfs/dbraw/zinc/75/03/48/1003750348.db2.gz	ZANGNZAYTFNLGE-UHFFFAOYSA-N	1	0	363.483	1.067	20	30		FDEDRO
Cn1cc(C2=NC[C@@H](C[NH2+]C3(c4cccc(C#N)c4)CCOCC3)O2)cn1	ZINC000931018904	1003780148	/nfs/dbraw/zinc/78/01/48/1003780148.db2.gz	MONOBPUNSSAHTF-SFHVURJKSA-N	1	0	365.437	1.733	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@@H](C)C(=O)N(C)C(C)C)c1	ZINC001111001961	1003791565	/nfs/dbraw/zinc/79/15/65/1003791565.db2.gz	PJUANPXVSMRWKR-PIKADFDJSA-N	1	0	368.481	1.653	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](O)COCC(C)C)c1	ZINC001111001986	1003792834	/nfs/dbraw/zinc/79/28/34/1003792834.db2.gz	QAUPNGHLNDTGCV-WCIQWLHISA-N	1	0	371.481	1.432	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1	ZINC000931062203	1003834981	/nfs/dbraw/zinc/83/49/81/1003834981.db2.gz	NGINWZPFCWBBKE-KRWDZBQOSA-N	1	0	372.444	1.837	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2cccc(N3CCNC3=O)c2C)CC1	ZINC000931115286	1003900951	/nfs/dbraw/zinc/90/09/51/1003900951.db2.gz	SXFMZZZDJYGZJB-UHFFFAOYSA-N	1	0	355.442	1.744	20	30		FDEDRO
C[N@@H+]1C[C@@]2(C)CN(CC#CCN3C(=O)c4ccccc4C3=O)C[C@@]2(C)C1	ZINC000931315959	1004049810	/nfs/dbraw/zinc/04/98/10/1004049810.db2.gz	DXGIHGRXXPAKJW-OYRHEFFESA-N	1	0	351.450	1.560	20	30		FDEDRO
CC[NH+](CC)CC1CCN(C(=O)C(=O)NCc2cc(C#N)ccc2F)CC1	ZINC000931591298	1004294394	/nfs/dbraw/zinc/29/43/94/1004294394.db2.gz	BTVYGPWDUNDKDM-UHFFFAOYSA-N	1	0	374.460	1.894	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1	ZINC000931594701	1004297726	/nfs/dbraw/zinc/29/77/26/1004297726.db2.gz	RLLFCIJYZBMHBE-QGZVFWFLSA-N	1	0	372.444	1.790	20	30		FDEDRO
CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NCc1cc(C#N)ccc1F	ZINC000931596120	1004300055	/nfs/dbraw/zinc/30/00/55/1004300055.db2.gz	RRVUEOCNADKYLT-UHFFFAOYSA-N	1	0	360.433	1.648	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3occc3s1)C2	ZINC001111018113	1004526607	/nfs/dbraw/zinc/52/66/07/1004526607.db2.gz	JUSJVIQHMCRWFZ-SYQHCUMBSA-N	1	0	371.462	1.967	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](C3OCCO3)C2)c(OC)c1	ZINC000932008209	1004699301	/nfs/dbraw/zinc/69/93/01/1004699301.db2.gz	PZBDSZIEIREJDX-DLBZAZTESA-N	1	0	363.454	1.858	20	30		FDEDRO
C[C@]1([C@H]2CCC[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)COC(=O)N1	ZINC000932016714	1004707879	/nfs/dbraw/zinc/70/78/79/1004707879.db2.gz	GDTCBFYFOGAJEU-SQGPQFPESA-N	1	0	373.453	1.703	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H]([C@@]2(C)COC(=O)N2)C1	ZINC000932029683	1004718310	/nfs/dbraw/zinc/71/83/10/1004718310.db2.gz	CFULBGGADZJPCD-RVKKMQEKSA-N	1	0	362.474	1.928	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Cn2cnc(-c3ccccc3)cc2=O)CC1	ZINC000932144998	1004793159	/nfs/dbraw/zinc/79/31/59/1004793159.db2.gz	ZXOYWZQAZKQSAN-UHFFFAOYSA-N	1	0	352.438	1.677	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCCN(C(=O)C#CC3CC3)C2)CC[N@@H+]1C	ZINC000966782982	1016920305	/nfs/dbraw/zinc/92/03/05/1016920305.db2.gz	YVNFGLVKIVZUND-GBESFXJTSA-N	1	0	359.514	1.827	20	30		FDEDRO
COc1cc(C#N)ccc1C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1	ZINC000932443341	1004960769	/nfs/dbraw/zinc/96/07/69/1004960769.db2.gz	QVHMLYKBZNODBH-UHFFFAOYSA-N	1	0	356.470	1.666	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1C#N	ZINC000932474600	1004977370	/nfs/dbraw/zinc/97/73/70/1004977370.db2.gz	YFMCLEPCTVWLEN-HOTGVXAUSA-N	1	0	372.469	1.098	20	30		FDEDRO
CCC[NH+]1CCC(N(C)C(=O)C(=O)NCc2ccc(C)c(C#N)c2)CC1	ZINC000932476811	1004979266	/nfs/dbraw/zinc/97/92/66/1004979266.db2.gz	MBWYHMHCIBPDDU-UHFFFAOYSA-N	1	0	356.470	1.816	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C[NH+](CC)CC)c1	ZINC000932719991	1005123458	/nfs/dbraw/zinc/12/34/58/1005123458.db2.gz	CUIVYDJNBRPZMT-HNNXBMFYSA-N	1	0	350.484	1.944	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nn(C)c3c1CCCC3)C2	ZINC001111044834	1005222514	/nfs/dbraw/zinc/22/25/14/1005222514.db2.gz	PYRSYSMSJZTQPU-KYJSFNMBSA-N	1	0	358.486	1.837	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1cn[nH]c1	ZINC000778142738	1005253832	/nfs/dbraw/zinc/25/38/32/1005253832.db2.gz	SZYBHFYPMSDTEF-RDTXWAMCSA-N	1	0	370.432	1.608	20	30		FDEDRO
C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]CC(=O)NCc1ccc(C#N)cc1	ZINC000933438018	1005557490	/nfs/dbraw/zinc/55/74/90/1005557490.db2.gz	HIVRJKRZXFHGRB-FQEVSTJZSA-N	1	0	355.413	1.897	20	30		FDEDRO
C#CCNC(=O)C[NH+]1CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC1	ZINC000933477496	1005566124	/nfs/dbraw/zinc/56/61/24/1005566124.db2.gz	PFNBDPGTLOAQMC-UHFFFAOYSA-N	1	0	351.491	1.999	20	30		FDEDRO
Cc1noc(C[C@@H]2CCC[N@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)n1	ZINC000933576853	1005582380	/nfs/dbraw/zinc/58/23/80/1005582380.db2.gz	QHWOTVKYPNRPKI-IRXDYDNUSA-N	1	0	356.426	1.944	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH+]2CCC3(CC2)CC(=O)C=CO3)cc1	ZINC000933648444	1005598172	/nfs/dbraw/zinc/59/81/72/1005598172.db2.gz	ZMIBTFGEVKEATI-GOSISDBHSA-N	1	0	356.422	1.830	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)CN1CCC2(CC1)CC(=O)C=CO2)c1ccccc1	ZINC000933649336	1005598571	/nfs/dbraw/zinc/59/85/71/1005598571.db2.gz	ZHCYZFDYNSQIGF-IBGZPJMESA-N	1	0	371.481	1.743	20	30		FDEDRO
COC(=O)C1([C@]2(O)CCC[N@H+](C[C@H](O)CC3(C#N)CCC3)C2)CCC1	ZINC000933832588	1005643398	/nfs/dbraw/zinc/64/33/98/1005643398.db2.gz	JYLMMKWAOCPEDW-BEFAXECRSA-N	1	0	350.459	1.601	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1c2ccccc2OC[C@H]1CO	ZINC000934211896	1005711369	/nfs/dbraw/zinc/71/13/69/1005711369.db2.gz	IURPPTMEUCHSFV-GQIGUUNPSA-N	1	0	354.406	1.630	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)NC1(C#N)CCC1)C2	ZINC000934610877	1005765327	/nfs/dbraw/zinc/76/53/27/1005765327.db2.gz	BWXPICHPWVIXIH-KKUMJFAQSA-N	1	0	362.474	1.926	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCS(=O)(=O)CC1)C2	ZINC001111083071	1005811081	/nfs/dbraw/zinc/81/10/81/1005811081.db2.gz	QBIITJMKLWEXJF-SVGFKBNWSA-N	1	0	354.516	1.887	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@H](c3nccn3C)C2)c1	ZINC000935088485	1005846525	/nfs/dbraw/zinc/84/65/25/1005846525.db2.gz	CHNQUQXFWBJFCY-INIZCTEOSA-N	1	0	371.462	1.847	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](c3nccn3C)C2)c1	ZINC000935088486	1005846584	/nfs/dbraw/zinc/84/65/84/1005846584.db2.gz	CHNQUQXFWBJFCY-MRXNPFEDSA-N	1	0	371.462	1.847	20	30		FDEDRO
C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(O)CC[N@@H+](C)C1	ZINC000935399245	1005905111	/nfs/dbraw/zinc/90/51/11/1005905111.db2.gz	HKEPXPQYHIXAQX-RDTXWAMCSA-N	1	0	355.479	1.419	20	30		FDEDRO
C[C@@H]1CN(CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)CCN1CCO	ZINC000778352523	1005926973	/nfs/dbraw/zinc/92/69/73/1005926973.db2.gz	WHJPOZYPWYKTNU-RBYWHNRPSA-N	1	0	357.498	1.865	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NC[C@H](O)C3CCCCC3)=[NH+]C[C@H]2C1	ZINC000089120510	1006010581	/nfs/dbraw/zinc/01/05/81/1006010581.db2.gz	UYXAMUDYCXPINW-HOTGVXAUSA-N	1	0	366.506	1.808	20	30		FDEDRO
CN1C(=O)CC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1	ZINC001095882447	1006168315	/nfs/dbraw/zinc/16/83/15/1006168315.db2.gz	HQIQQBPPPARIMZ-OWSLCNJRSA-N	1	0	352.438	1.401	20	30		FDEDRO
COc1cc(C#N)ccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C	ZINC000935953831	1006171272	/nfs/dbraw/zinc/17/12/72/1006171272.db2.gz	KUJXVTINGXATLV-MQVJKMGUSA-N	1	0	370.453	1.380	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)C2	ZINC001111115651	1006279635	/nfs/dbraw/zinc/27/96/35/1006279635.db2.gz	AZPAEUTZNIBYJZ-YJNKXOJESA-N	1	0	357.520	1.390	20	30		FDEDRO
COC(=O)N1CCC([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000778543228	1006434262	/nfs/dbraw/zinc/43/42/62/1006434262.db2.gz	JWWRBCOHWYXACA-QGZVFWFLSA-N	1	0	356.426	1.874	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)C(C)(C)[NH+]2CCCC2)C1	ZINC000954393895	1006689238	/nfs/dbraw/zinc/68/92/38/1006689238.db2.gz	HRTFXHPBVDVIBZ-IRXDYDNUSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000954394960	1006694707	/nfs/dbraw/zinc/69/47/07/1006694707.db2.gz	VRULBYKDPBLWIB-ROUUACIJSA-N	1	0	368.437	1.598	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C1	ZINC000954403909	1006718386	/nfs/dbraw/zinc/71/83/86/1006718386.db2.gz	FUWJTQNBRXFEPU-KURKYZTESA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000954414459	1006756239	/nfs/dbraw/zinc/75/62/39/1006756239.db2.gz	ITLMYBKBVRDGEK-FJIDUMEYSA-N	1	0	363.502	1.367	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@H]3CC(C)C)C2)CC1	ZINC000954502376	1006821832	/nfs/dbraw/zinc/82/18/32/1006821832.db2.gz	YCPITROLQUKCHO-IEBWSBKVSA-N	1	0	359.514	1.683	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1	ZINC000954723358	1006981926	/nfs/dbraw/zinc/98/19/26/1006981926.db2.gz	PXMZAEMWBNPMEB-KURKYZTESA-N	1	0	363.502	1.367	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1	ZINC000954788800	1007027215	/nfs/dbraw/zinc/02/72/15/1007027215.db2.gz	YRCQIAYHUJNKIZ-NXHRZFHOSA-N	1	0	363.502	1.369	20	30		FDEDRO
C#CCNS(=O)(=O)N1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1	ZINC000778951447	1007060183	/nfs/dbraw/zinc/06/01/83/1007060183.db2.gz	RLZJUMPCMSDVSP-CQSZACIVSA-N	1	0	366.443	1.049	20	30		FDEDRO
COCC[N@H+](CCC(=O)OC)Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000779021718	1007147854	/nfs/dbraw/zinc/14/78/54/1007147854.db2.gz	WECJKKOAJZVWEU-UHFFFAOYSA-N	1	0	356.426	1.970	20	30		FDEDRO
CCc1nc(C#N)cc(N(C)CCCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)n1	ZINC001095765213	1007297514	/nfs/dbraw/zinc/29/75/14/1007297514.db2.gz	SLQGTRRCYFLHOP-JKSUJKDBSA-N	1	0	358.490	1.583	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCc1nc(CC)no1)C2	ZINC001111262531	1007330063	/nfs/dbraw/zinc/33/00/63/1007330063.db2.gz	UYVUKPJBRNQSON-KFWWJZLASA-N	1	0	364.446	1.073	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1	ZINC000093046725	1007510855	/nfs/dbraw/zinc/51/08/55/1007510855.db2.gz	ILBJPLAQAVUALU-QGZVFWFLSA-N	1	0	356.470	1.717	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C	ZINC000957083032	1007678188	/nfs/dbraw/zinc/67/81/88/1007678188.db2.gz	BJRLZDZIORKGRC-VQIMIIECSA-N	1	0	365.477	1.269	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2CNC(=O)[C@@H]2C[C@H]2C2CC2)CC1	ZINC000956052506	1007827740	/nfs/dbraw/zinc/82/77/40/1007827740.db2.gz	RLMGTRPFLBWIIZ-GBESFXJTSA-N	1	0	357.498	1.485	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H](C)C#N)CC[N@@H+]1C	ZINC000959734593	1008628485	/nfs/dbraw/zinc/62/84/85/1008628485.db2.gz	QWSLAOPEWWMFEU-LVZMMCSGSA-N	1	0	360.502	1.762	20	30		FDEDRO
CC[N@@H+]1CCN(CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)[C@H](C)C1	ZINC000796316164	1008673374	/nfs/dbraw/zinc/67/33/74/1008673374.db2.gz	MABMVDZBDJCLIZ-HIFRSBDPSA-N	1	0	353.426	1.538	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccc2c[nH+]cn2c1	ZINC000950235640	1008926071	/nfs/dbraw/zinc/92/60/71/1008926071.db2.gz	WYWNJWGBUZNCLP-KURKYZTESA-N	1	0	368.437	1.646	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)c1	ZINC000950256106	1008970229	/nfs/dbraw/zinc/97/02/29/1008970229.db2.gz	UAEHMLBOUPOTHW-FGTMMUONSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=C[C@@H](O)C(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000646665792	1009024048	/nfs/dbraw/zinc/02/40/48/1009024048.db2.gz	QCLCMSDSSYXTRA-MRXNPFEDSA-N	1	0	371.403	1.881	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1	ZINC000950432150	1009166432	/nfs/dbraw/zinc/16/64/32/1009166432.db2.gz	NBMGHVFZPLDEMW-OTWHNJEPSA-N	1	0	371.481	1.670	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC3(F)F)C[C@H]2C)CC1	ZINC000950551531	1009305435	/nfs/dbraw/zinc/30/54/35/1009305435.db2.gz	UMBSFRGDTFZIOE-VNQPRFMTSA-N	1	0	367.440	1.340	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1	ZINC000647003833	1009383015	/nfs/dbraw/zinc/38/30/15/1009383015.db2.gz	BMOFNITWDLDMJF-XJKSGUPXSA-N	1	0	351.472	1.350	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c(cn1)nc[nH]c3=O)C2	ZINC001111327530	1009644134	/nfs/dbraw/zinc/64/41/34/1009644134.db2.gz	FODQTGYLHWRKFM-MRRJBJDNSA-N	1	0	369.425	1.268	20	30		FDEDRO
Cc1cc(C)cc(NC(=[NH2+])NCc2ccc(C(=O)NCC(N)=O)cc2)c1	ZINC000303889505	1009676905	/nfs/dbraw/zinc/67/69/05/1009676905.db2.gz	LYLMRUMMGGPIHE-UHFFFAOYSA-N	1	0	353.426	1.445	20	30		FDEDRO
N#Cc1cnc(NC2CC[NH+](CCNC(=O)[C@]34C[C@H]3CCC4)CC2)cn1	ZINC001111330968	1009677840	/nfs/dbraw/zinc/67/78/40/1009677840.db2.gz	BBDQHSJRCSJNPW-AUUYWEPGSA-N	1	0	354.458	1.531	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c(OC)c1	ZINC000647624895	1009785155	/nfs/dbraw/zinc/78/51/55/1009785155.db2.gz	PYPYPMPAUVMVAP-FQEVSTJZSA-N	1	0	362.470	1.718	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N2CC(C[NH+]3CCN(C)CC3)C2)c(OC)c1	ZINC000647825224	1009942772	/nfs/dbraw/zinc/94/27/72/1009942772.db2.gz	NDCGWFUTUXGBQT-UHFFFAOYSA-N	1	0	373.497	1.508	20	30		FDEDRO
N#Cc1nccc(NC2CC[NH+](CCNC(=O)C[C@@H]3C[C@H]3C3CC3)CC2)n1	ZINC001111340176	1010183258	/nfs/dbraw/zinc/18/32/58/1010183258.db2.gz	ROXMEOYRRGEWBU-RDJZCZTQSA-N	1	0	368.485	1.199	20	30		FDEDRO
C=CCn1cc(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)nn1	ZINC000648267083	1010327614	/nfs/dbraw/zinc/32/76/14/1010327614.db2.gz	ZJXCXXVAJMHIMK-HNNXBMFYSA-N	1	0	368.441	1.414	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@H]2OCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]2C1	ZINC000960576180	1010404321	/nfs/dbraw/zinc/40/43/21/1010404321.db2.gz	WCVGUWMJGIANEO-OWCLPIDISA-N	1	0	351.491	1.367	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H](NC(=O)[C@H]3CC[C@@H](C)O3)C2)CC1	ZINC000951078834	1010429031	/nfs/dbraw/zinc/42/90/31/1010429031.db2.gz	KICREIZBCGSBOT-BPQIPLTHSA-N	1	0	361.486	1.006	20	30		FDEDRO
[NH2+]=C(NCCCN1C(=O)COc2ccccc21)NCCc1ccccc1	ZINC000304801273	1010498784	/nfs/dbraw/zinc/49/87/84/1010498784.db2.gz	OXHDNSSZGDVGCL-UHFFFAOYSA-N	1	0	352.438	1.949	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1NC(=O)NC1=O)C2	ZINC001111374590	1010852713	/nfs/dbraw/zinc/85/27/13/1010852713.db2.gz	TUTKJIWNVOKBSS-QXSJWSMHSA-N	1	0	362.474	1.443	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1	ZINC000952067101	1011201379	/nfs/dbraw/zinc/20/13/79/1011201379.db2.gz	OJNOTCSPLCRCSX-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2nnnn2C(C)C)C1	ZINC000962414408	1011244748	/nfs/dbraw/zinc/24/47/48/1011244748.db2.gz	MSPXTLFTEPZPHV-NDTCATRNSA-N	1	0	362.478	1.220	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccn(C)c(=O)c1	ZINC000960881591	1011612768	/nfs/dbraw/zinc/61/27/68/1011612768.db2.gz	GQGINSUXGSNFFB-KSZLIROESA-N	1	0	359.470	1.399	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3OCCN(C(=O)C[N@H+]4CCC[C@@H]4C)[C@H]3C2)C1	ZINC000960955346	1011762617	/nfs/dbraw/zinc/76/26/17/1011762617.db2.gz	PYLMVWQNSODOGK-YESZJQIVSA-N	1	0	361.486	1.265	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@H]2OCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@H]2C1	ZINC000960957315	1011767846	/nfs/dbraw/zinc/76/78/46/1011767846.db2.gz	CKPHNDRHPRXYMW-JKSUJKDBSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1	ZINC000963076728	1011813608	/nfs/dbraw/zinc/81/36/08/1011813608.db2.gz	PPKNISCXAIVTFF-KFWWJZLASA-N	1	0	371.909	1.326	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H]2CCc3ncnn32)cc1	ZINC001095854452	1011896829	/nfs/dbraw/zinc/89/68/29/1011896829.db2.gz	FLVUWHGHHHILIH-YRXWBPOGSA-N	1	0	361.449	1.782	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2CCCC2=O)cc1	ZINC001095854470	1011897040	/nfs/dbraw/zinc/89/70/40/1011897040.db2.gz	GBPRTOBQXXBCKK-QYZOEREBSA-N	1	0	351.450	1.625	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)C#CC2CC2)CC[N@@H+]1C	ZINC000952724808	1011963897	/nfs/dbraw/zinc/96/38/97/1011963897.db2.gz	LSIJPEONAFDCCR-ZSYWTGECSA-N	1	0	357.498	1.722	20	30		FDEDRO
C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)CC1	ZINC000963454377	1012294407	/nfs/dbraw/zinc/29/44/07/1012294407.db2.gz	VXOZXAQZVBIAKP-HTPOPCQBSA-N	1	0	358.486	1.973	20	30		FDEDRO
C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CN(c4ccccn4)C[C@H]3C)C2)C1	ZINC000963815675	1012730281	/nfs/dbraw/zinc/73/02/81/1012730281.db2.gz	KENBGMFZQFHEEA-HRTVXQQGSA-N	1	0	352.482	1.804	20	30		FDEDRO
C=CCN(C(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1)[C@H](C)COC	ZINC000636160015	1012770993	/nfs/dbraw/zinc/77/09/93/1012770993.db2.gz	JOAOEFZAPFDZGY-CQSZACIVSA-N	1	0	360.458	1.967	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1ccc(C#N)cc1)C2	ZINC000963960878	1013012256	/nfs/dbraw/zinc/01/22/56/1013012256.db2.gz	KMLVVYIBOWRLHE-NNXQFSIZSA-N	1	0	369.465	1.879	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(C)C(=O)c3ccc(C#N)[nH]3)CC2)CC[N@@H+]1C	ZINC000967529691	1017592694	/nfs/dbraw/zinc/59/26/94/1017592694.db2.gz	ZFNXZOFLENSPNE-DJIMGWMZSA-N	1	0	371.485	1.680	20	30		FDEDRO
COCCNS(=O)(=O)c1cccc(C[NH2+]Cc2cc(C#N)n(C)c2)c1	ZINC000191116357	178041051	/nfs/dbraw/zinc/04/10/51/178041051.db2.gz	OFYQMHKKXACKNW-UHFFFAOYSA-N	1	0	362.455	1.111	20	30		FDEDRO
COc1cc(OC)cc(N2CC[C@H]([NH2+]Cc3cc(C#N)n(C)c3)C2=O)c1	ZINC000191276138	178049617	/nfs/dbraw/zinc/04/96/17/178049617.db2.gz	GKZPUEGIBMPOCQ-SFHVURJKSA-N	1	0	354.410	1.809	20	30		FDEDRO
CCC[N@H+](CC)CCNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000192345108	178111096	/nfs/dbraw/zinc/11/10/96/178111096.db2.gz	SMLJUFAULMGPSL-SFHVURJKSA-N	1	0	371.485	1.690	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]4CCC[C@H]43)CC2)o1	ZINC000245432495	178356231	/nfs/dbraw/zinc/35/62/31/178356231.db2.gz	BILTYSFUIGJJCT-DOTOQJQBSA-N	1	0	357.458	1.768	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](CO)C[NH+]1CCCCC1	ZINC000512354357	538972964	/nfs/dbraw/zinc/97/29/64/538972964.db2.gz	BBPQMOPGXFNZEK-QGZVFWFLSA-N	1	0	361.490	1.309	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)n1	ZINC000518180825	539399295	/nfs/dbraw/zinc/39/92/95/539399295.db2.gz	SSDMNBAYWZQWSB-KRWDZBQOSA-N	1	0	363.421	1.845	20	30		FDEDRO
N#Cc1ccsc1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000519127610	539469012	/nfs/dbraw/zinc/46/90/12/539469012.db2.gz	JBDGNRXEWKBBLA-UHFFFAOYSA-N	1	0	370.482	1.742	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[NH+](CC2CCOCC2)CC1	ZINC000265493683	179390313	/nfs/dbraw/zinc/39/03/13/179390313.db2.gz	KYHAGDZFHMDJOT-MRXNPFEDSA-N	1	0	356.470	1.929	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000268198736	180022819	/nfs/dbraw/zinc/02/28/19/180022819.db2.gz	QYGQJDQNCMFSNX-DYVFJYSZSA-N	1	0	370.453	1.883	20	30		FDEDRO
C[C@H]1COCCN1C1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1	ZINC000528511882	539764034	/nfs/dbraw/zinc/76/40/34/539764034.db2.gz	WQKGKFPDBVMHEV-LPHOPBHVSA-N	1	0	359.470	1.483	20	30		FDEDRO
N#Cc1cccc(OCCC[NH+]2CCN(c3ccc(C(N)=O)cn3)CC2)c1	ZINC000268672691	180136847	/nfs/dbraw/zinc/13/68/47/180136847.db2.gz	MAVDHZTVCXWCOB-UHFFFAOYSA-N	1	0	365.437	1.643	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC2(CCOCC2)CC[C@H]1CO	ZINC000528637831	539771522	/nfs/dbraw/zinc/77/15/22/539771522.db2.gz	HYGOTKOXFMVFGE-ZWKOTPCHSA-N	1	0	360.454	1.551	20	30		FDEDRO
Cc1conc1NC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000269360942	180284115	/nfs/dbraw/zinc/28/41/15/180284115.db2.gz	CCVVYSLVCGBSIC-UHFFFAOYSA-N	1	0	353.382	1.138	20	30		FDEDRO
C[C@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)C[NH+]1CCN(C)CC1	ZINC000269689457	180362059	/nfs/dbraw/zinc/36/20/59/180362059.db2.gz	OEPUHYJHQUNCFK-MRXNPFEDSA-N	1	0	355.486	1.730	20	30		FDEDRO
C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1C#N)N1CC[NH+](C)CC1	ZINC000269773545	180385554	/nfs/dbraw/zinc/38/55/54/180385554.db2.gz	NDYLQYUOWHCDPQ-GFCCVEGCSA-N	1	0	356.879	1.126	20	30		FDEDRO
COc1ccc(CN2CC[C@@H]2C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1	ZINC000530130345	539889626	/nfs/dbraw/zinc/88/96/26/539889626.db2.gz	QCRHTYSIWZDFJH-QUCCMNQESA-N	1	0	364.449	1.957	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)NCC[N@H+]3CCC[C@H](C)C3)CC2)c1C#N	ZINC000530355890	539949673	/nfs/dbraw/zinc/94/96/73/539949673.db2.gz	GBIGFYSHEZFFPH-HNNXBMFYSA-N	1	0	373.505	1.164	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)NCC[N@H+]3CC=C(C)CC3)CC2)c1C#N	ZINC000530355799	539949880	/nfs/dbraw/zinc/94/98/80/539949880.db2.gz	OOXOGKNOABPCKX-UHFFFAOYSA-N	1	0	371.489	1.084	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCN(C(=O)CC)C1)C(C)C	ZINC000268571253	674092482	/nfs/dbraw/zinc/09/24/82/674092482.db2.gz	QHTGOGZYKBXSLU-DLBZAZTESA-N	1	0	350.507	1.995	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)n(CCC#N)n1	ZINC000533010582	540193649	/nfs/dbraw/zinc/19/36/49/540193649.db2.gz	AYPNXSYNYDGKSL-UHFFFAOYSA-N	1	0	360.462	1.424	20	30		FDEDRO
C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1ncc(C#N)cc1Cl	ZINC000533213116	540216689	/nfs/dbraw/zinc/21/66/89/540216689.db2.gz	CVQAOXOYXLKRCO-UHFFFAOYSA-N	1	0	366.849	1.952	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)n(CCC#N)n1	ZINC000533318555	540231777	/nfs/dbraw/zinc/23/17/77/540231777.db2.gz	QPVFZHGUQSOCCC-KUHUBIRLSA-N	1	0	374.489	1.670	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1	ZINC000533778097	540285871	/nfs/dbraw/zinc/28/58/71/540285871.db2.gz	KFBVNDAYEZBICT-AWEZNQCLSA-N	1	0	354.410	1.688	20	30		FDEDRO
CS[C@@H]1CN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C[C@@H]1[NH+](C)C	ZINC000536333505	540579795	/nfs/dbraw/zinc/57/97/95/540579795.db2.gz	MWESAFFXSIZMOP-JKSUJKDBSA-N	1	0	370.482	1.444	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCc3n[nH]cc3C2)CC1	ZINC000538378832	540849322	/nfs/dbraw/zinc/84/93/22/540849322.db2.gz	MOAKHJUBFYCEGS-MRXNPFEDSA-N	1	0	370.482	1.238	20	30		FDEDRO
N#CCCCS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO	ZINC000538758618	540889158	/nfs/dbraw/zinc/88/91/58/540889158.db2.gz	ACGJKHDAVXMXJW-IRXDYDNUSA-N	1	0	351.472	1.093	20	30		FDEDRO
CC(C)CN(C)S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000538674676	540878171	/nfs/dbraw/zinc/87/81/71/540878171.db2.gz	JTCXOWDXEIMHCQ-UHFFFAOYSA-N	1	0	352.504	1.754	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000540452904	541061191	/nfs/dbraw/zinc/06/11/91/541061191.db2.gz	JGELERNLPXCXNG-UHFFFAOYSA-N	1	0	360.458	1.319	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c1	ZINC000269189417	674107433	/nfs/dbraw/zinc/10/74/33/674107433.db2.gz	JZRQSFBFFVXUSS-ZFWWWQNUSA-N	1	0	351.472	1.269	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](CC)c1cccc(S(N)(=O)=O)c1	ZINC000541204583	541168575	/nfs/dbraw/zinc/16/85/75/541168575.db2.gz	QXDZBUOQRZINMS-WMLDXEAASA-N	1	0	365.499	1.964	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)C[C@H]1[NH+]1CCCC1	ZINC000275540898	181346195	/nfs/dbraw/zinc/34/61/95/181346195.db2.gz	ZHJVJAIMFLCGCC-HUUCEWRRSA-N	1	0	352.485	1.154	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCOc2ncccc2F)CC1	ZINC000269507912	674109828	/nfs/dbraw/zinc/10/98/28/674109828.db2.gz	ZTQKYYYNQAPPDY-UHFFFAOYSA-N	1	0	353.398	1.125	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+]C[C@H](Cc3ccc(F)cc3)C(N)=O)n2c1	ZINC000542782151	541469045	/nfs/dbraw/zinc/46/90/45/541469045.db2.gz	YAKKOCZGNXHSRN-HNNXBMFYSA-N	1	0	351.385	1.779	20	30		FDEDRO
C[C@H](C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)n1cnc(C#N)n1	ZINC000543071019	541529316	/nfs/dbraw/zinc/52/93/16/541529316.db2.gz	QGYVOBUEWUCETH-OAHLLOKOSA-N	1	0	352.442	1.834	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1	ZINC000543180408	541544775	/nfs/dbraw/zinc/54/47/75/541544775.db2.gz	SFODRWOCTWRRMD-HZMVEIRTSA-N	1	0	374.510	1.160	20	30		FDEDRO
C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCO1	ZINC000543889915	541678255	/nfs/dbraw/zinc/67/82/55/541678255.db2.gz	WGMJMJQTIMLNAM-CQSZACIVSA-N	1	0	372.404	1.677	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCC(CCCO)CC2)CC1	ZINC000543913881	541682830	/nfs/dbraw/zinc/68/28/30/541682830.db2.gz	JUUILCXCXHQQOA-GOSISDBHSA-N	1	0	350.507	1.163	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)c2cnn(C(C)C)c2)CC1	ZINC000544468637	541772292	/nfs/dbraw/zinc/77/22/92/541772292.db2.gz	MNOXZOUXAIFGSG-FUHWJXTLSA-N	1	0	360.506	1.807	20	30		FDEDRO
Cn1ncc2c1nc(N1CCC[N@H+](Cc3ccc(C#N)cc3)CC1)nc2N	ZINC000276297185	181558693	/nfs/dbraw/zinc/55/86/93/181558693.db2.gz	QVDBOAHWPRJXAB-UHFFFAOYSA-N	1	0	362.441	1.529	20	30		FDEDRO
C[N@@H+]1CC[C@](O)(CNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1	ZINC000545169568	541889320	/nfs/dbraw/zinc/88/93/20/541889320.db2.gz	HNETXFOCQQHXDV-KRWDZBQOSA-N	1	0	374.832	1.585	20	30		FDEDRO
C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCc1cccc(C#N)c1	ZINC000283513695	182203165	/nfs/dbraw/zinc/20/31/65/182203165.db2.gz	BVQVAHGWOBGWJQ-OAGGEKHMSA-N	1	0	356.470	1.657	20	30		FDEDRO
N#Cc1cc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc(N)c1[N+](=O)[O-]	ZINC000283516342	182204250	/nfs/dbraw/zinc/20/42/50/182204250.db2.gz	JWMSOZLJUSHZIZ-QGZVFWFLSA-N	1	0	367.409	1.880	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NCc1cccc(C#N)c1	ZINC000284074849	182356583	/nfs/dbraw/zinc/35/65/83/182356583.db2.gz	RQDAQCCXSUYABX-MRXNPFEDSA-N	1	0	356.470	1.945	20	30		FDEDRO
C[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2cccc(C#N)c2)[C@@H]1c1ccccc1	ZINC000284080217	182358142	/nfs/dbraw/zinc/35/81/42/182358142.db2.gz	RYOCTGKJKHKXJS-OALUTQOASA-N	1	0	362.433	1.736	20	30		FDEDRO
CC[NH+](CC)CCOCCNC(=O)N1CCN(c2cccc(C#N)n2)CC1	ZINC000545510929	541991956	/nfs/dbraw/zinc/99/19/56/541991956.db2.gz	CHTOSDVYXIDTHP-UHFFFAOYSA-N	1	0	374.489	1.143	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(c3cc(N)c([N+](=O)[O-])c(C#N)c3)CC2)c1	ZINC000287775673	183379933	/nfs/dbraw/zinc/37/99/33/183379933.db2.gz	IEIIERLKTXJFOR-UHFFFAOYSA-N	1	0	354.370	1.779	20	30		FDEDRO
C[C@H](CNC(=O)c1ccc(Br)cc1C#N)N1CC[NH+](C)CC1	ZINC000294904502	184018498	/nfs/dbraw/zinc/01/84/98/184018498.db2.gz	HUOSHVKSFYMFND-GFCCVEGCSA-N	1	0	365.275	1.686	20	30		FDEDRO
COC[C@@]1(C(=O)OC)CC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000295114108	184034387	/nfs/dbraw/zinc/03/43/87/184034387.db2.gz	HYPJWWOTXIFAQS-YLJYHZDGSA-N	1	0	371.437	1.565	20	30		FDEDRO
COC[C@@]1(C(=O)OC)CC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000295117435	184035291	/nfs/dbraw/zinc/03/52/91/184035291.db2.gz	VZTGWDQFLZMPOT-HXUWFJFHSA-N	1	0	368.437	1.970	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC1	ZINC000295699197	184096199	/nfs/dbraw/zinc/09/61/99/184096199.db2.gz	TWEAUZPOJDFHOM-UHFFFAOYSA-N	1	0	369.462	1.306	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1	ZINC000295723526	184098490	/nfs/dbraw/zinc/09/84/90/184098490.db2.gz	VMYXTRMNFOTULA-RCCFBDPRSA-N	1	0	365.433	1.579	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1	ZINC000295945809	184116005	/nfs/dbraw/zinc/11/60/05/184116005.db2.gz	DZHQKYUIHBBBAB-AWEZNQCLSA-N	1	0	370.453	1.838	20	30		FDEDRO
COc1cc(OC)c2ncc(C#N)c(NCC[NH+]3CCC(O)CC3)c2c1	ZINC000296118659	184131885	/nfs/dbraw/zinc/13/18/85/184131885.db2.gz	VSRIHKIQPRHWLJ-UHFFFAOYSA-N	1	0	356.426	1.992	20	30		FDEDRO
Cc1nsc(NC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1C#N	ZINC000297385979	184265181	/nfs/dbraw/zinc/26/51/81/184265181.db2.gz	IYOIDGVHNLXERL-ZDUSSCGKSA-N	1	0	364.475	1.387	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1	ZINC000547319208	542311362	/nfs/dbraw/zinc/31/13/62/542311362.db2.gz	DOSIGUNYKXHFMS-CQSZACIVSA-N	1	0	353.430	1.991	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)C1	ZINC000972074342	781983628	/nfs/dbraw/zinc/98/36/28/781983628.db2.gz	YOFDUBLODWQTAV-GUDVDZBRSA-N	1	0	357.498	1.581	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000171979035	258270946	/nfs/dbraw/zinc/27/09/46/258270946.db2.gz	NZUGFSGLXDFIMQ-KRWDZBQOSA-N	1	0	370.453	1.376	20	30		FDEDRO
C=CCn1c(COCC)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1	ZINC000548848529	542791083	/nfs/dbraw/zinc/79/10/83/542791083.db2.gz	GEOGBUKOUVKOMK-KRWDZBQOSA-N	1	0	362.522	1.605	20	30		FDEDRO
C=CCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1	ZINC000548855748	542792549	/nfs/dbraw/zinc/79/25/49/542792549.db2.gz	XWPRKHMMUTUHJB-ZWKOTPCHSA-N	1	0	374.533	1.573	20	30		FDEDRO
C=C(C)Cn1c(C2CCC2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000549634954	542910185	/nfs/dbraw/zinc/91/01/85/542910185.db2.gz	ZFDVIYXWRACDDV-UHFFFAOYSA-N	1	0	372.517	1.866	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@@H](CC4CC4)C3)CC2)o1	ZINC000550404239	543092982	/nfs/dbraw/zinc/09/29/82/543092982.db2.gz	FTJZNWCUQQUTHQ-INIZCTEOSA-N	1	0	357.458	1.625	20	30		FDEDRO
C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)C[C@@H](C)C1	ZINC000551372347	543276111	/nfs/dbraw/zinc/27/61/11/543276111.db2.gz	NLCPRRNGVLLXQG-GDZNZVCISA-N	1	0	358.417	1.825	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1	ZINC000552202275	543436838	/nfs/dbraw/zinc/43/68/38/543436838.db2.gz	OEXCIOANLKZOSL-RDJZCZTQSA-N	1	0	361.511	1.801	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1	ZINC000552504421	543478523	/nfs/dbraw/zinc/47/85/23/543478523.db2.gz	WXGUWUYBUFDCRB-UHFFFAOYSA-N	1	0	361.511	1.756	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CCCC)CC1	ZINC000552851826	543526857	/nfs/dbraw/zinc/52/68/57/543526857.db2.gz	UKFNUILWMVDKFA-NVXWUHKLSA-N	1	0	351.491	1.465	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000552882872	543531459	/nfs/dbraw/zinc/53/14/59/543531459.db2.gz	DPBBLWHNZOOSRL-UHFFFAOYSA-N	1	0	351.472	1.726	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H](C)CN1CC[NH+](C)CC1	ZINC000173454409	258299853	/nfs/dbraw/zinc/29/98/53/258299853.db2.gz	WZYBTJPBVVBFAZ-AWEZNQCLSA-N	1	0	350.488	1.029	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCC1CC[NH+](CCN(C)C)CC1	ZINC000074138151	172074453	/nfs/dbraw/zinc/07/44/53/172074453.db2.gz	GKIIGCCIPBBFEB-MRXNPFEDSA-N	1	0	358.486	1.715	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)[N@@H+]1CCC[C@H](C)C1	ZINC000091193930	172276147	/nfs/dbraw/zinc/27/61/47/172276147.db2.gz	HMXHFFTXZFQJLQ-KBPBESRZSA-N	1	0	374.489	1.685	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1	ZINC000125568164	173011128	/nfs/dbraw/zinc/01/11/28/173011128.db2.gz	MTBRWWMUFUOVAA-OAHLLOKOSA-N	1	0	354.454	1.763	20	30		FDEDRO
COCC[N@H+]1[C@H](C)CN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C	ZINC000130492510	173172055	/nfs/dbraw/zinc/17/20/55/173172055.db2.gz	GFORGUDGCILAQD-JTDSTZFVSA-N	1	0	356.470	1.705	20	30		FDEDRO
N#Cc1ccc(OCCC[NH+]2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1	ZINC000131184501	173192936	/nfs/dbraw/zinc/19/29/36/173192936.db2.gz	KTILVHTYQYGCKL-LJQANCHMSA-N	1	0	356.470	1.741	20	30		FDEDRO
CC(C)NS(=O)(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2C#N)C1	ZINC000134301888	173321712	/nfs/dbraw/zinc/32/17/12/173321712.db2.gz	FPLBHJQSDFCKKL-HNNXBMFYSA-N	1	0	364.471	1.289	20	30		FDEDRO
N#Cc1cccc(OCCC[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1	ZINC000178295567	174182008	/nfs/dbraw/zinc/18/20/08/174182008.db2.gz	TYZAKWZVWWJRHU-GOSISDBHSA-N	1	0	357.454	1.898	20	30		FDEDRO
Cn1cc(C[NH2+]C[C@@](C)(O)CN2CCOCC2)c(-c2ccc(C#N)cc2)n1	ZINC000180246570	258365063	/nfs/dbraw/zinc/36/50/63/258365063.db2.gz	CIFSZNVFTOCZLR-HXUWFJFHSA-N	1	0	369.469	1.132	20	30		FDEDRO
CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000184609498	258382184	/nfs/dbraw/zinc/38/21/84/258382184.db2.gz	XMXLIKONGZCYOG-MRXNPFEDSA-N	1	0	371.445	1.617	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1	ZINC000278284871	258481454	/nfs/dbraw/zinc/48/14/54/258481454.db2.gz	ZGVJHXOPOPCFGM-UHFFFAOYSA-N	1	0	370.453	1.886	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](CCO)CC(C)C)CC1	ZINC000553330005	543610784	/nfs/dbraw/zinc/61/07/84/543610784.db2.gz	WQKMRGXFBGGUCF-MRXNPFEDSA-N	1	0	353.507	1.304	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CCN(C)c2ccccc2)CC1	ZINC000553396796	543626526	/nfs/dbraw/zinc/62/65/26/543626526.db2.gz	FXBGMAYQDUHXNP-UHFFFAOYSA-N	1	0	372.513	1.738	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(CCOC)[C@H]2CC[C@@H](C)C2)CC1	ZINC000553671777	543678485	/nfs/dbraw/zinc/67/84/85/543678485.db2.gz	ZNVJWUXIOXDGRQ-WBVHZDCISA-N	1	0	351.491	1.417	20	30		FDEDRO
N#CC1(c2ccc(C(=O)NCC(=O)NCC[NH+]3CCCCCC3)cc2)CC1	ZINC000554452579	543802327	/nfs/dbraw/zinc/80/23/27/543802327.db2.gz	ACFYZJMCIKLVMG-UHFFFAOYSA-N	1	0	368.481	1.964	20	30		FDEDRO
C[NH+](C)CCOc1cnccc1CNC(=O)Cc1c(F)cccc1C#N	ZINC000554782412	543870080	/nfs/dbraw/zinc/87/00/80/543870080.db2.gz	OUBGVNOYSNZRRF-UHFFFAOYSA-N	1	0	356.401	1.892	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000555802833	544032369	/nfs/dbraw/zinc/03/23/69/544032369.db2.gz	SRXITOPGRADTSF-IBGZPJMESA-N	1	0	363.465	1.980	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)Nc1sccc1C#N	ZINC000555906013	544051997	/nfs/dbraw/zinc/05/19/97/544051997.db2.gz	ZSSXVRRALCUWCA-UHFFFAOYSA-N	1	0	372.450	1.815	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1	ZINC000556122649	544100729	/nfs/dbraw/zinc/10/07/29/544100729.db2.gz	HTSJJRCJPMVRPZ-AEFFLSMTSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCCO[C@H](C)C1)C(C)C	ZINC000556206223	544117562	/nfs/dbraw/zinc/11/75/62/544117562.db2.gz	JVSBDNVKLWDJJQ-SJORKVTESA-N	1	0	351.491	1.439	20	30		FDEDRO
Cc1ccc(NC(=O)C(=O)N(C)CC(C)(C)C#N)c(OCC[NH+](C)C)c1	ZINC000556654171	544169128	/nfs/dbraw/zinc/16/91/28/544169128.db2.gz	PMVGBFMEVVCYJE-UHFFFAOYSA-N	1	0	360.458	1.882	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)c1	ZINC000556816069	544207125	/nfs/dbraw/zinc/20/71/25/544207125.db2.gz	CNJQPRJFKJCMMY-GOSISDBHSA-N	1	0	354.454	1.651	20	30		FDEDRO
C[C@H]1CN(C(=O)Cc2c(F)cccc2C#N)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000556956163	544225067	/nfs/dbraw/zinc/22/50/67/544225067.db2.gz	TYFAARYMAMRCOE-HNAYVOBHSA-N	1	0	358.461	1.724	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1	ZINC000556970019	544226606	/nfs/dbraw/zinc/22/66/06/544226606.db2.gz	QKAHHJIHCMCVAD-MAUKXSAKSA-N	1	0	369.469	1.979	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000557436655	544291701	/nfs/dbraw/zinc/29/17/01/544291701.db2.gz	ZHZFLIPFRCJJGP-SFHVURJKSA-N	1	0	359.470	1.286	20	30		FDEDRO
N#Cc1c(N2CCN(C(=O)C[NH+]3CCCC3)CC2)nc2cc(Cl)ccn12	ZINC000557560756	544308464	/nfs/dbraw/zinc/30/84/64/544308464.db2.gz	DROYDMKHLNRREW-UHFFFAOYSA-N	1	0	372.860	1.604	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1	ZINC000557662747	544326059	/nfs/dbraw/zinc/32/60/59/544326059.db2.gz	QRKOKRIIPMBDBT-UHFFFAOYSA-N	1	0	354.370	1.779	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@H+](C)[C@H](C)C1CCN(S(=O)(=O)CC)CC1	ZINC000558173508	544393841	/nfs/dbraw/zinc/39/38/41/544393841.db2.gz	LJUSMRCLPRQHOX-OAHLLOKOSA-N	1	0	372.535	1.131	20	30		FDEDRO
N#Cc1cc(F)c(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)c(F)c1	ZINC000558350934	544413627	/nfs/dbraw/zinc/41/36/27/544413627.db2.gz	VBHVRWBSSSLVRD-UHFFFAOYSA-N	1	0	364.396	1.558	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC#Cc2cccc(F)c2)CC1	ZINC000558956560	544560669	/nfs/dbraw/zinc/56/06/69/544560669.db2.gz	JEDNHTKMMCUNQX-GOSISDBHSA-N	1	0	372.444	1.125	20	30		FDEDRO
Cc1ccc([C@@H](C[NH2+]Cc2cnc3c(C#N)cnn3c2)N2CCOCC2)o1	ZINC000559273744	544622433	/nfs/dbraw/zinc/62/24/33/544622433.db2.gz	WDMYXXMTTBPNRJ-QGZVFWFLSA-N	1	0	366.425	1.666	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H](C3CC3)[C@@]3(CO)CCCO3)C2=O)cc1	ZINC000559465812	544697422	/nfs/dbraw/zinc/69/74/22/544697422.db2.gz	BYAMRPQZLAXTBT-ZJOUEHCJSA-N	1	0	369.465	1.963	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCOC2(CCC2)C1)C(C)C	ZINC000559866949	544826515	/nfs/dbraw/zinc/82/65/15/544826515.db2.gz	OVZVRRQOHRXNPR-KRWDZBQOSA-N	1	0	363.502	1.583	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1)C(C)C	ZINC000559866944	544826702	/nfs/dbraw/zinc/82/67/02/544826702.db2.gz	VMWPREVBEGCBFS-BSDSXHPESA-N	1	0	363.502	1.031	20	30		FDEDRO
C=CCn1c([C@H]2COCCO2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1	ZINC000560353179	544970793	/nfs/dbraw/zinc/97/07/93/544970793.db2.gz	WHDXUVLJMWMUBK-DOTOQJQBSA-N	1	0	361.490	1.863	20	30		FDEDRO
Cn1c(N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c(C#N)c(=O)n(C)c1=O	ZINC000301841400	259034522	/nfs/dbraw/zinc/03/45/22/259034522.db2.gz	BTZFJPJOOMMIBM-GJZGRUSLSA-N	1	0	373.844	1.466	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000329813802	259112432	/nfs/dbraw/zinc/11/24/32/259112432.db2.gz	CXKNPDNKRKYTPP-SJKOYZFVSA-N	1	0	350.426	1.539	20	30		FDEDRO
CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1sccc1C#N	ZINC000330606578	259153186	/nfs/dbraw/zinc/15/31/86/259153186.db2.gz	KUBZBVSVZPDYEW-OLZOCXBDSA-N	1	0	370.500	1.398	20	30		FDEDRO
CN(C)C(=O)N1CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C(C)(C)C1	ZINC000330692031	259158239	/nfs/dbraw/zinc/15/82/39/259158239.db2.gz	HDSTWGDEBHGPHP-UHFFFAOYSA-N	1	0	357.458	1.965	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(CC(=O)Nc3ccc(C#N)cc3)CC2)CC1	ZINC000332069528	259238532	/nfs/dbraw/zinc/23/85/32/259238532.db2.gz	USPJDKDXEWAIPO-UHFFFAOYSA-N	1	0	369.513	1.987	20	30		FDEDRO
CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)s1	ZINC000332192910	259248473	/nfs/dbraw/zinc/24/84/73/259248473.db2.gz	UQYQUSWPUHNFBC-DGCLKSJQSA-N	1	0	360.483	1.924	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000332371424	259261059	/nfs/dbraw/zinc/26/10/59/259261059.db2.gz	BDYBPLGJQMKGNG-AHRSYUTCSA-N	1	0	370.497	1.730	20	30		FDEDRO
N#Cc1ccc(OC2CCC(NC(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)CC2)nc1	ZINC000333703870	259371579	/nfs/dbraw/zinc/37/15/79/259371579.db2.gz	DRYNOODCCNIOOG-RYTJFDOTSA-N	1	0	355.442	1.504	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)cc1	ZINC000363469304	259600098	/nfs/dbraw/zinc/60/00/98/259600098.db2.gz	ZDMBIIOUMPZQIL-MJGOQNOKSA-N	1	0	357.454	1.775	20	30		FDEDRO
CN1CC[NH+](C[C@H]2CCCN(CC(=O)Nc3sccc3C#N)C2)CC1	ZINC000367109093	259995889	/nfs/dbraw/zinc/99/58/89/259995889.db2.gz	HJOHYCCKPDMHKB-OAHLLOKOSA-N	1	0	361.515	1.518	20	30		FDEDRO
C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC[N@@H+]1C	ZINC000373697913	261032525	/nfs/dbraw/zinc/03/25/25/261032525.db2.gz	CFQDSHXQTXFTHK-ATZDWAIDSA-N	1	0	368.481	1.990	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)[C@@H]2C1	ZINC000374892206	261220432	/nfs/dbraw/zinc/22/04/32/261220432.db2.gz	JGKLMNIMDBSOMM-SUMWQHHRSA-N	1	0	350.426	1.492	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)cc1	ZINC000375468306	261346609	/nfs/dbraw/zinc/34/66/09/261346609.db2.gz	FJBKOSMBEJFEAW-HOJAQTOUSA-N	1	0	359.470	1.531	20	30		FDEDRO
C[C@H](CNC(=O)N1CCC(n2cnc(C#N)n2)CC1)[N@@H+]1CCC[C@H](C)C1	ZINC000375678257	261397663	/nfs/dbraw/zinc/39/76/63/261397663.db2.gz	ZVMBROXKXCWXSK-LSDHHAIUSA-N	1	0	359.478	1.617	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)NCCc3cccc(C#N)c3)C2)CC1	ZINC000377195839	261740254	/nfs/dbraw/zinc/74/02/54/261740254.db2.gz	GRPWCHNGOSDVHB-HXUWFJFHSA-N	1	0	369.513	1.911	20	30		FDEDRO
C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)n1cnc(C#N)n1	ZINC000409780227	262139714	/nfs/dbraw/zinc/13/97/14/262139714.db2.gz	RNFUAECKMKNWQP-VYDXJSESSA-N	1	0	352.442	1.738	20	30		FDEDRO
C[C@H](C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1)[NH+]1CCCCCC1	ZINC000972085862	782045241	/nfs/dbraw/zinc/04/52/41/782045241.db2.gz	DMYLJHHZFUNOJN-BHIYHBOVSA-N	1	0	357.498	1.724	20	30		FDEDRO
Cc1ccc(C#N)cc1C(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1	ZINC000934307179	782132800	/nfs/dbraw/zinc/13/28/00/782132800.db2.gz	AGMAPGSIGHGWMB-MRXNPFEDSA-N	1	0	363.483	1.448	20	30		FDEDRO
CCC(CC)N1C[C@H](C(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)CC1=O	ZINC000536298715	490567019	/nfs/dbraw/zinc/56/70/19/490567019.db2.gz	BZHQVRSYZAEVST-GFCCVEGCSA-N	1	0	360.462	1.409	20	30		FDEDRO
C[NH+]1CCC(NC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1	ZINC000512942079	490704121	/nfs/dbraw/zinc/70/41/21/490704121.db2.gz	CAOXAJKWJPTRBB-UHFFFAOYSA-N	1	0	370.388	1.032	20	30		FDEDRO
COCCCNC(=O)[C@@H](C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000042643720	519700376	/nfs/dbraw/zinc/70/03/76/519700376.db2.gz	LSJBEUIZEXMBSJ-QGZVFWFLSA-N	1	0	358.486	1.607	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NCC[NH+]2CCCCC2)ccc1F	ZINC000044529645	521964215	/nfs/dbraw/zinc/96/42/15/521964215.db2.gz	HTJBSAVJDHTASC-UHFFFAOYSA-N	1	0	369.462	1.506	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H](C)N2CCN(c3ccccc3)CC2)CC1	ZINC000057171506	522022598	/nfs/dbraw/zinc/02/25/98/522022598.db2.gz	YURIEHFABYJJGT-LJQANCHMSA-N	1	0	368.525	1.659	20	30		FDEDRO
CC1CC[NH+](CCNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1	ZINC000046369100	522284737	/nfs/dbraw/zinc/28/47/37/522284737.db2.gz	HBUVSNXXBBMAQD-UHFFFAOYSA-N	1	0	356.474	1.517	20	30		FDEDRO
C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1nncn1C	ZINC000046963872	522404924	/nfs/dbraw/zinc/40/49/24/522404924.db2.gz	ZRWKRBNWIKSJDS-OAHLLOKOSA-N	1	0	367.457	1.665	20	30		FDEDRO
C[C@H](NC(=O)c1ccco1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000047010723	522422632	/nfs/dbraw/zinc/42/26/32/522422632.db2.gz	VOYZZPGVAHJOCY-HNNXBMFYSA-N	1	0	368.437	1.860	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cnn(CC[NH+](C)C)c1	ZINC000061635331	522483163	/nfs/dbraw/zinc/48/31/63/522483163.db2.gz	CXYDPXIRUQHLJL-UHFFFAOYSA-N	1	0	357.462	1.743	20	30		FDEDRO
C=CCc1ccc(OCC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(OC)c1	ZINC000061650440	522485888	/nfs/dbraw/zinc/48/58/88/522485888.db2.gz	ASHLHPIQSMBYRE-DLBZAZTESA-N	1	0	360.454	1.782	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1	ZINC000073250690	522497937	/nfs/dbraw/zinc/49/79/37/522497937.db2.gz	NIGRLDXZRBXDEZ-UHFFFAOYSA-N	1	0	360.377	1.736	20	30		FDEDRO
CO/N=C/c1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)cc1	ZINC000073767503	522604026	/nfs/dbraw/zinc/60/40/26/522604026.db2.gz	VOVOEABINTYTIU-HZHRSRAPSA-N	1	0	367.453	1.744	20	30		FDEDRO
CN1CC[NH+](CCCCNC(=O)CSCc2ccc(C#N)cc2)CC1	ZINC000048192685	522689636	/nfs/dbraw/zinc/68/96/36/522689636.db2.gz	NUVFHZYFOCYXEQ-UHFFFAOYSA-N	1	0	360.527	1.935	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccccc2-n2ccc(C(N)=O)n2)CC1	ZINC000074255673	522727615	/nfs/dbraw/zinc/72/76/15/522727615.db2.gz	YVHNHWMKSBPSJG-UHFFFAOYSA-N	1	0	351.410	1.255	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1	ZINC000048548138	522747162	/nfs/dbraw/zinc/74/71/62/522747162.db2.gz	WZDNOAIPMXEPQV-UHFFFAOYSA-N	1	0	366.487	1.709	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1	ZINC000074674258	522818533	/nfs/dbraw/zinc/81/85/33/522818533.db2.gz	BQMSEVIJNBWLFF-HXUWFJFHSA-N	1	0	350.466	1.568	20	30		FDEDRO
O=[N+]([O-])c1ccc(CNC(=[NH+]C[C@H]2CCCO2)N2CCC(O)CC2)cc1	ZINC000074698574	522824048	/nfs/dbraw/zinc/82/40/48/522824048.db2.gz	LYXGXACQQFPKBX-QGZVFWFLSA-N	1	0	362.430	1.676	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1cccc(OCC#N)c1)[NH+]1CCC(C)CC1	ZINC000065601720	522846101	/nfs/dbraw/zinc/84/61/01/522846101.db2.gz	CNTRRQXVZDRLJC-HNNXBMFYSA-N	1	0	358.442	1.764	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000050150315	522893919	/nfs/dbraw/zinc/89/39/19/522893919.db2.gz	DCVHVUUBGAQHNY-ZIAGYGMSSA-N	1	0	374.441	1.121	20	30		FDEDRO
Cc1nc([N+](=O)[O-])cn1CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000065930291	522921400	/nfs/dbraw/zinc/92/14/00/522921400.db2.gz	PABGJJZZMNLYFF-UHFFFAOYSA-N	1	0	370.413	1.562	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000065977893	522931966	/nfs/dbraw/zinc/93/19/66/522931966.db2.gz	XVHPPYOFSXHISD-UHFFFAOYSA-N	1	0	360.395	1.535	20	30		FDEDRO
CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C1	ZINC000051049253	522965144	/nfs/dbraw/zinc/96/51/44/522965144.db2.gz	GFPOQKXLPWKXSI-IRXDYDNUSA-N	1	0	361.490	1.659	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCC(=O)N2CCc3ccccc3C2)cc1	ZINC000076105791	523022846	/nfs/dbraw/zinc/02/28/46/523022846.db2.gz	YMOPTTPEIFMPCS-UHFFFAOYSA-N	1	0	366.465	1.727	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000076240694	523052150	/nfs/dbraw/zinc/05/21/50/523052150.db2.gz	PMDIFBHLGNFVHA-ZDUSSCGKSA-N	1	0	359.401	1.377	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1	ZINC000076283286	523065308	/nfs/dbraw/zinc/06/53/08/523065308.db2.gz	HSYUSEXCWPUIHV-MRXNPFEDSA-N	1	0	373.428	1.863	20	30		FDEDRO
CN(C(=O)CN1CCC(C[NH+]2CCOCC2)CC1)C1(C#N)CCCCC1	ZINC000051958555	523098825	/nfs/dbraw/zinc/09/88/25/523098825.db2.gz	GDDOQMYXCPRKJF-UHFFFAOYSA-N	1	0	362.518	1.715	20	30		FDEDRO
C[C@@H](C1CC1)N(C)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000066911128	523256935	/nfs/dbraw/zinc/25/69/35/523256935.db2.gz	DNWVYJUEGFZDIC-HNNXBMFYSA-N	1	0	364.515	1.897	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cnc(C(C)(C)C)nc2)CC1	ZINC000077759518	523451705	/nfs/dbraw/zinc/45/17/05/523451705.db2.gz	OUGJSSJIYKXQMM-UHFFFAOYSA-N	1	0	359.474	1.869	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1	ZINC000054983908	523726349	/nfs/dbraw/zinc/72/63/49/523726349.db2.gz	GQVVMBZUTQYQKK-KRWDZBQOSA-N	1	0	367.453	1.993	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[NH+](CC(C)C)CC2)c1	ZINC000055168782	523759022	/nfs/dbraw/zinc/75/90/22/523759022.db2.gz	SYHFLTOGPXFZED-UHFFFAOYSA-N	1	0	363.483	1.012	20	30		FDEDRO
N#CCSc1cccc(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1	ZINC000079803018	523794227	/nfs/dbraw/zinc/79/42/27/523794227.db2.gz	CHDDNAZBLBIVKZ-QGZVFWFLSA-N	1	0	372.494	1.857	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)c2sccc2C#N)CC1	ZINC000079993002	523816808	/nfs/dbraw/zinc/81/68/08/523816808.db2.gz	HEROKFIHXDYJGP-UHFFFAOYSA-N	1	0	362.499	1.976	20	30		FDEDRO
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCCOc1ccc(C#N)cc1	ZINC000080468757	523883434	/nfs/dbraw/zinc/88/34/34/523883434.db2.gz	MAKWGSAVHAYHNN-UHFFFAOYSA-N	1	0	373.501	1.604	20	30		FDEDRO
CC[NH+](CC)CCOC1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1	ZINC000080647334	523894656	/nfs/dbraw/zinc/89/46/56/523894656.db2.gz	VCTHWPVYTCJIGZ-LJQANCHMSA-N	1	0	350.507	1.618	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2C)C1	ZINC000080794794	523907113	/nfs/dbraw/zinc/90/71/13/523907113.db2.gz	YGFHLSRSZNWRNI-KRWDZBQOSA-N	1	0	365.499	1.988	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1	ZINC000172029643	524098228	/nfs/dbraw/zinc/09/82/28/524098228.db2.gz	OCHDWFUNEVQEDW-AWEZNQCLSA-N	1	0	351.472	1.175	20	30		FDEDRO
C[NH+](C)CCOc1cccc(CNS(=O)(=O)c2ccccc2C#N)c1	ZINC000156580449	524109265	/nfs/dbraw/zinc/10/92/65/524109265.db2.gz	GSTJKXLKOXIAIE-UHFFFAOYSA-N	1	0	359.451	1.977	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)Cc3ccc(OCC#N)cc3)CC2)CC1	ZINC000110674664	524119848	/nfs/dbraw/zinc/11/98/48/524119848.db2.gz	NIGIADQGYVFCLO-UHFFFAOYSA-N	1	0	370.497	1.806	20	30		FDEDRO
CSc1[n-]c(=O)c(C(=O)Nc2nc3c(s2)CN(C)CC3)cc1C#N	ZINC000121052684	524138039	/nfs/dbraw/zinc/13/80/39/524138039.db2.gz	LRMNMGGWEZYSQU-UHFFFAOYSA-N	1	0	361.452	1.665	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1	ZINC000081536605	524143231	/nfs/dbraw/zinc/14/32/31/524143231.db2.gz	HQCVZPBHDKVRFP-UHFFFAOYSA-N	1	0	365.437	1.975	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](CN(CC)CC(F)(F)F)C1	ZINC000081557126	524149860	/nfs/dbraw/zinc/14/98/60/524149860.db2.gz	FGBUSIUZEYTJCB-QWHCGFSZSA-N	1	0	364.412	1.593	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](S(=O)(=O)N2CCCC2)C1	ZINC000135669500	524161548	/nfs/dbraw/zinc/16/15/48/524161548.db2.gz	KVEPSHAEYFKLBM-HOTGVXAUSA-N	1	0	357.520	1.299	20	30		FDEDRO
N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1	ZINC000081680057	524166377	/nfs/dbraw/zinc/16/63/77/524166377.db2.gz	GMASBQSVGAXCFW-RBUKOAKNSA-N	1	0	366.465	1.428	20	30		FDEDRO
Cc1nc(C(=O)N2CCN(c3ccc(C[NH+](C)C)cn3)CC2)ccc1C#N	ZINC000172223397	524167425	/nfs/dbraw/zinc/16/74/25/524167425.db2.gz	NFLRBJSGKYTCNA-UHFFFAOYSA-N	1	0	364.453	1.681	20	30		FDEDRO
CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cc(C#N)cn1C	ZINC000081715804	524173102	/nfs/dbraw/zinc/17/31/02/524173102.db2.gz	VSPZXMPIOXLVLB-MRXNPFEDSA-N	1	0	360.458	1.776	20	30		FDEDRO
C[NH+]1CCN([C@@H]2CCCCN(C(=O)C(=O)Nc3ccc(C#N)cc3)C2)CC1	ZINC000121172819	524175237	/nfs/dbraw/zinc/17/52/37/524175237.db2.gz	LUGFMMVNLQJHQT-GOSISDBHSA-N	1	0	369.469	1.125	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1	ZINC000081808902	524185957	/nfs/dbraw/zinc/18/59/57/524185957.db2.gz	LCPBWLXQJJMKIC-UHFFFAOYSA-N	1	0	359.474	1.253	20	30		FDEDRO
C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc(C#N)cc1F	ZINC000136144214	524187293	/nfs/dbraw/zinc/18/72/93/524187293.db2.gz	DHVIBCNIOMWCNN-CQSZACIVSA-N	1	0	362.405	1.205	20	30		FDEDRO
N#Cc1ccc(C(=O)Nc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)[nH]1	ZINC000121403044	524248379	/nfs/dbraw/zinc/24/83/79/524248379.db2.gz	MUZOWYIPDCSOKF-UHFFFAOYSA-N	1	0	365.437	1.878	20	30		FDEDRO
COc1cc2c(cc1CNC(=[NH2+])NCCCN1CCOCC1)O[C@@H](C)C2	ZINC000157416151	524269098	/nfs/dbraw/zinc/26/90/98/524269098.db2.gz	NTYZDAVSDVVHMP-AWEZNQCLSA-N	1	0	362.474	1.145	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[N@H+](CCC(F)(F)F)C[C@H](O)CO)cc1	ZINC000084867887	524336611	/nfs/dbraw/zinc/33/66/11/524336611.db2.gz	WAZJVDWVGDRKFZ-AWEZNQCLSA-N	1	0	359.348	1.494	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)CC1	ZINC000173275505	524361604	/nfs/dbraw/zinc/36/16/04/524361604.db2.gz	SZXAGPPPMMNSMO-UHFFFAOYSA-N	1	0	372.404	1.112	20	30		FDEDRO
C[C@@H]1CCC[C@@](CNC(=O)C(=O)Nc2ccn(CCC#N)n2)([NH+](C)C)C1	ZINC000086449807	524392449	/nfs/dbraw/zinc/39/24/49/524392449.db2.gz	XYQKNODUROWUOA-RDTXWAMCSA-N	1	0	360.462	1.362	20	30		FDEDRO
CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)c1ccco1	ZINC000086450506	524393096	/nfs/dbraw/zinc/39/30/96/524393096.db2.gz	ROASZBUHDCMQIF-CQSZACIVSA-N	1	0	372.429	1.528	20	30		FDEDRO
COc1ccc(C[NH2+]CCC(=O)N2CCOCC2)cc1OCCCC#N	ZINC000147204582	524430841	/nfs/dbraw/zinc/43/08/41/524430841.db2.gz	HSOYXIDLGDFHDF-UHFFFAOYSA-N	1	0	361.442	1.716	20	30		FDEDRO
N#Cc1ccc(NCC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1	ZINC000122038050	524438606	/nfs/dbraw/zinc/43/86/06/524438606.db2.gz	SXBLDQRXUYSNGH-RBUKOAKNSA-N	1	0	356.470	1.854	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc([S@](C)=O)c1	ZINC000122082491	524447753	/nfs/dbraw/zinc/44/77/53/524447753.db2.gz	VKNJPWJQIJBZQM-RUZDIDTESA-N	1	0	364.471	1.056	20	30		FDEDRO
CC[C@H](CO)[NH+]1CCN(CC(=O)Nc2ccccc2SCC#N)CC1	ZINC000173746477	524451086	/nfs/dbraw/zinc/45/10/86/524451086.db2.gz	ZFOVUGZKZBXWLV-OAHLLOKOSA-N	1	0	362.499	1.629	20	30		FDEDRO
CCC[NH+]1CCC(N2CCN(CC(=O)Nc3cccc(C#N)c3)CC2)CC1	ZINC000112358057	524469347	/nfs/dbraw/zinc/46/93/47/524469347.db2.gz	AIWDTMPAAIESFU-UHFFFAOYSA-N	1	0	369.513	1.989	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NC[C@@H](CO)c3ccccc3)=[NH+]C[C@@H]2C1	ZINC000089120844	524477591	/nfs/dbraw/zinc/47/75/91/524477591.db2.gz	ILJKVDBKLGZIAR-DLBZAZTESA-N	1	0	374.485	1.643	20	30		FDEDRO
CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N	ZINC000089673809	524517461	/nfs/dbraw/zinc/51/74/61/524517461.db2.gz	HBWKLWILTYROOZ-OAHLLOKOSA-N	1	0	360.462	1.553	20	30		FDEDRO
CCCC(=O)N1CCCC[C@H]1C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N	ZINC000089673811	524518284	/nfs/dbraw/zinc/51/82/84/524518284.db2.gz	HBWKLWILTYROOZ-HNNXBMFYSA-N	1	0	360.462	1.553	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H](NC(C)=O)c2ccccc2)c1C#N	ZINC000089674656	524518391	/nfs/dbraw/zinc/51/83/91/524518391.db2.gz	FWJSJFQRTXRKRN-KRWDZBQOSA-N	1	0	368.441	1.639	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]([NH+](CC)CC)C2)cc1	ZINC000174140231	524518834	/nfs/dbraw/zinc/51/88/34/524518834.db2.gz	HHXDVFIDNZETBV-INIZCTEOSA-N	1	0	365.499	1.707	20	30		FDEDRO
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)C1	ZINC000089676788	524519426	/nfs/dbraw/zinc/51/94/26/524519426.db2.gz	YMZXZXTXUMVYTG-KBPBESRZSA-N	1	0	374.489	1.657	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H]([NH+](CC)CC)C2)c1	ZINC000174140112	524519468	/nfs/dbraw/zinc/51/94/68/524519468.db2.gz	UNBDPCLNSBZHEJ-INIZCTEOSA-N	1	0	365.499	1.707	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1	ZINC000174290192	524536601	/nfs/dbraw/zinc/53/66/01/524536601.db2.gz	XINQYVGMXDMDJV-QGZVFWFLSA-N	1	0	370.453	1.199	20	30		FDEDRO
O=C(NCC#Cc1ccccc1)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1	ZINC000089888934	524537919	/nfs/dbraw/zinc/53/79/19/524537919.db2.gz	MXHSVLITVXEPGT-RTWAWAEBSA-N	1	0	363.461	1.973	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCCc3cc(S(C)(=O)=O)ccc32)CC1	ZINC000122463521	524544004	/nfs/dbraw/zinc/54/40/04/524544004.db2.gz	SUNMZSRDYQWWLT-UHFFFAOYSA-N	1	0	360.479	1.715	20	30		FDEDRO
N#Cc1cc(Cl)ccc1S(=O)(=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000158949558	524560447	/nfs/dbraw/zinc/56/04/47/524560447.db2.gz	MWNJJLBUXUCOMR-AWEZNQCLSA-N	1	0	357.863	1.337	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)CNCC(F)(F)F)CC2)cc1	ZINC000112857680	524574803	/nfs/dbraw/zinc/57/48/03/524574803.db2.gz	VCYAZCLNAYXUDP-UHFFFAOYSA-N	1	0	354.376	1.744	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(C)C	ZINC000112919930	524595811	/nfs/dbraw/zinc/59/58/11/524595811.db2.gz	ZVIXPZDPPJKTJO-QGZVFWFLSA-N	1	0	370.453	1.645	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H](C(C)C)N2CCCS2(=O)=O)CC1	ZINC000151558110	524611115	/nfs/dbraw/zinc/61/11/15/524611115.db2.gz	BRURMCDHIFEFEB-INIZCTEOSA-N	1	0	357.520	1.203	20	30		FDEDRO
CC[C@H]1CN(C(=O)/C=C/c2ccc(OCC#N)cc2)CC[N@@H+]1C[C@@H](C)O	ZINC000174597732	524640758	/nfs/dbraw/zinc/64/07/58/524640758.db2.gz	VZSGIAJUMCWKAM-OTTBVJJXSA-N	1	0	357.454	1.906	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)n1	ZINC000091193922	524654786	/nfs/dbraw/zinc/65/47/86/524654786.db2.gz	QYJKBWOLGFIYNW-KBPBESRZSA-N	1	0	360.462	1.511	20	30		FDEDRO
CCCO[C@@H]1CCC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1	ZINC000091559733	524725844	/nfs/dbraw/zinc/72/58/44/524725844.db2.gz	POUWENGEPQNSOZ-MOPGFXCFSA-N	1	0	364.534	1.960	20	30		FDEDRO
COC1CCC([N@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1	ZINC000091578182	524730201	/nfs/dbraw/zinc/73/02/01/524730201.db2.gz	WEVNKCOZUPOHFE-DAWZGUTISA-N	1	0	350.507	1.568	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@](C)(CO)C2CCCCC2)CC1	ZINC000091581010	524732030	/nfs/dbraw/zinc/73/20/30/524732030.db2.gz	UBTLFHHJZDXLPE-QUCCMNQESA-N	1	0	364.534	1.600	20	30		FDEDRO
COC(=O)[C@H](C)CN(C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000114062887	524740430	/nfs/dbraw/zinc/74/04/30/524740430.db2.gz	BXTUGPWEQNCHEU-CYBMUJFWSA-N	1	0	355.398	1.423	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1	ZINC000123417408	524749374	/nfs/dbraw/zinc/74/93/74/524749374.db2.gz	NOQJXROTULGTHL-HOTGVXAUSA-N	1	0	371.489	1.300	20	30		FDEDRO
Cc1ccc(C)c(/N=C2\NC(=O)C(CC(=O)NCCC[NH+](C)C)S2)c1	ZINC000174891796	524780659	/nfs/dbraw/zinc/78/06/59/524780659.db2.gz	GFKNWZRRRVYLMR-HNNXBMFYSA-N	1	0	362.499	1.981	20	30		FDEDRO
C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)Nc2ccn(CCC#N)n2)C1	ZINC000123706932	524812978	/nfs/dbraw/zinc/81/29/78/524812978.db2.gz	MHDOCVIHLBBSRN-HOTGVXAUSA-N	1	0	374.489	1.610	20	30		FDEDRO
Cn1c(Nc2cccc(CC[NH+]3CCCC3)c2)c(C#N)c(=O)n(C)c1=O	ZINC000091982543	524822681	/nfs/dbraw/zinc/82/26/81/524822681.db2.gz	JREQBPWJLXBXGC-UHFFFAOYSA-N	1	0	353.426	1.338	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1	ZINC000114558159	524832058	/nfs/dbraw/zinc/83/20/58/524832058.db2.gz	BTGABOWUFHTTIA-FQEVSTJZSA-N	1	0	369.513	1.251	20	30		FDEDRO
C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)CC(C)(C)CN1CCOCC1	ZINC000123829858	524840150	/nfs/dbraw/zinc/84/01/50/524840150.db2.gz	TXOLJWVXWJUZIC-SFHVURJKSA-N	1	0	361.486	1.588	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCS[C@H](C(C)C)C2)CC1	ZINC000092618912	524900770	/nfs/dbraw/zinc/90/07/70/524900770.db2.gz	ASRUEZGGHVYEIL-IRXDYDNUSA-N	1	0	352.548	1.752	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH+]1CCC(C(=O)Nc2ccccc2O)CC1	ZINC000092802523	524916487	/nfs/dbraw/zinc/91/64/87/524916487.db2.gz	LYCWANZKBDTMLT-UHFFFAOYSA-N	1	0	358.442	1.805	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@@H](C(=O)NC)C1)C(C)C	ZINC000114931453	524916973	/nfs/dbraw/zinc/91/69/73/524916973.db2.gz	OKFDZEKRSJCCBU-SJORKVTESA-N	1	0	350.507	1.853	20	30		FDEDRO
C[NH+]=C(NCc1ccc(Br)cc1)N[C@H]1CCc2ncnn2C1	ZINC000152602415	524939731	/nfs/dbraw/zinc/93/97/31/524939731.db2.gz	HMOBMADBGITIGT-ZDUSSCGKSA-N	1	0	363.263	1.721	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)NCCN1CCC([NH+](C)C)CC1	ZINC000175422193	524959303	/nfs/dbraw/zinc/95/93/03/524959303.db2.gz	JEZLDPRQDNIZIN-UHFFFAOYSA-N	1	0	362.449	1.985	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1	ZINC000115439571	524997893	/nfs/dbraw/zinc/99/78/93/524997893.db2.gz	BJTWBFJEWCRTQF-OAHLLOKOSA-N	1	0	365.499	1.565	20	30		FDEDRO
Cc1oc(NC(=O)[C@@H](C)N2CCC([N@H+](C)CCCO)CC2)c(C#N)c1C	ZINC000115546506	525015383	/nfs/dbraw/zinc/01/53/83/525015383.db2.gz	PAYLLNOZYGKCBB-CQSZACIVSA-N	1	0	362.474	1.874	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccc(F)cc2C#N)CC1	ZINC000152912533	525046084	/nfs/dbraw/zinc/04/60/84/525046084.db2.gz	IJGPMFPNFLLJFN-MRXNPFEDSA-N	1	0	359.405	1.468	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CCCOCC)C[C@H]2C)c1	ZINC000115890842	525084053	/nfs/dbraw/zinc/08/40/53/525084053.db2.gz	AHCXJDVKIWQCJL-VQIMIIECSA-N	1	0	371.481	1.860	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@@H]1CCOc2ccccc21)=[NH+]CC1CCOCC1	ZINC000176377074	525090184	/nfs/dbraw/zinc/09/01/84/525090184.db2.gz	COCQLVKILMCPTA-QGZVFWFLSA-N	1	0	374.485	1.560	20	30		FDEDRO
N#Cc1cc(Cl)ccc1S(=O)(=O)NCC1CC[NH+](CCO)CC1	ZINC000161406703	525101300	/nfs/dbraw/zinc/10/13/00/525101300.db2.gz	XWNXMDWPSCYHOG-UHFFFAOYSA-N	1	0	357.863	1.194	20	30		FDEDRO
CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000124975729	525117349	/nfs/dbraw/zinc/11/73/49/525117349.db2.gz	RBTCFDJIZRYZHR-OAHLLOKOSA-N	1	0	360.462	1.506	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)CNc3cccc(C#N)c3)ccn2)CC1	ZINC000153250128	525156932	/nfs/dbraw/zinc/15/69/32/525156932.db2.gz	HKWHBOOWDBCRRL-UHFFFAOYSA-N	1	0	364.453	1.433	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1	ZINC000104181805	525397027	/nfs/dbraw/zinc/39/70/27/525397027.db2.gz	ONNKFGMUGHCKFJ-BBRMVZONSA-N	1	0	354.882	1.653	20	30		FDEDRO
CC(C)(C)NC(=[NH2+])NCc1ccccc1CS(=O)(=O)N1CCOCC1	ZINC000104171688	525397176	/nfs/dbraw/zinc/39/71/76/525397176.db2.gz	ZVQYVCKSKXEYKW-UHFFFAOYSA-N	1	0	368.503	1.051	20	30		FDEDRO
COCCNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(C#N)cc2)c1	ZINC000117950953	525414785	/nfs/dbraw/zinc/41/47/85/525414785.db2.gz	NZCKIKSYZPKFMQ-UHFFFAOYSA-N	1	0	359.451	1.773	20	30		FDEDRO
C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)N(CCC#N)CCC#N	ZINC000105231468	525477514	/nfs/dbraw/zinc/47/75/14/525477514.db2.gz	VTPNXRPGONFAFZ-MRXNPFEDSA-N	1	0	365.441	1.916	20	30		FDEDRO
C=CCOc1cc(OC)ccc1C(=O)N(C)CCCN1CC[NH+](C)CC1	ZINC000127932218	525481254	/nfs/dbraw/zinc/48/12/54/525481254.db2.gz	ZGLJMXQMYMMNGB-UHFFFAOYSA-N	1	0	361.486	1.970	20	30		FDEDRO
C[NH+]=C(NCc1cccc(N(C)C)n1)N[C@@H]1CCc2nnc(C(C)C)n2C1	ZINC000178998574	525516863	/nfs/dbraw/zinc/51/68/63/525516863.db2.gz	WPZMNWCCZXFWNP-OAHLLOKOSA-N	1	0	370.505	1.543	20	30		FDEDRO
CCOC(=O)c1c(C)[nH]c(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)c1C	ZINC000128219412	525519192	/nfs/dbraw/zinc/51/91/92/525519192.db2.gz	ZZMAPCWINWUCPY-UHFFFAOYSA-N	1	0	372.429	1.807	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1	ZINC000128305971	525527078	/nfs/dbraw/zinc/52/70/78/525527078.db2.gz	MVWJSUNKZWELHT-KRWDZBQOSA-N	1	0	362.433	1.488	20	30		FDEDRO
C[C@H]1C[NH+](CC2CCN(S(=O)(=O)CC3(C#N)CC3)CC2)C[C@H](C)O1	ZINC000165132418	525545097	/nfs/dbraw/zinc/54/50/97/525545097.db2.gz	JJVWRYIFZKISKN-GJZGRUSLSA-N	1	0	355.504	1.441	20	30		FDEDRO
CC[C@H](CO)[NH+]1CCN(C(=O)CCc2c(C)nn(CCC#N)c2C)CC1	ZINC000179411325	525581504	/nfs/dbraw/zinc/58/15/04/525581504.db2.gz	QXLYCSUQNMJMGJ-QGZVFWFLSA-N	1	0	361.490	1.261	20	30		FDEDRO
Cc1ccccc1C[NH+]1CCC(NC(=O)Cn2cccc(C#N)c2=O)CC1	ZINC000118974909	525591468	/nfs/dbraw/zinc/59/14/68/525591468.db2.gz	OCAPXBTYQKSONW-UHFFFAOYSA-N	1	0	364.449	1.809	20	30		FDEDRO
CC[C@@H]1CN(CC(=O)N(C)C2(C#N)CCCCC2)CC[N@@H+]1C[C@@H](C)O	ZINC000106104502	525591899	/nfs/dbraw/zinc/59/18/99/525591899.db2.gz	KJNKORQKACAMBF-IAGOWNOFSA-N	1	0	350.507	1.448	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](CN2CCOCC2)C1	ZINC000129579410	525670554	/nfs/dbraw/zinc/67/05/54/525670554.db2.gz	KNULXTRXJGZPJC-RTBURBONSA-N	1	0	370.497	1.976	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(S(N)(=O)=O)c2)CC1	ZINC000106275146	525686858	/nfs/dbraw/zinc/68/68/58/525686858.db2.gz	RAEJFLTUUKQNBJ-UHFFFAOYSA-N	1	0	366.487	1.174	20	30		FDEDRO
N#C[C@H]1CN(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CCO1	ZINC000106339467	525696638	/nfs/dbraw/zinc/69/66/38/525696638.db2.gz	ZGJQYFXGLVMNQD-SFHVURJKSA-N	1	0	358.442	1.077	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccnc2-n2cccn2)CC1	ZINC000106349144	525698872	/nfs/dbraw/zinc/69/88/72/525698872.db2.gz	WIASCNQZGPFSDJ-UHFFFAOYSA-N	1	0	368.441	1.363	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)N(C)CC3)CC1	ZINC000180552802	525722538	/nfs/dbraw/zinc/72/25/38/525722538.db2.gz	XVWYNASLRCLHMD-UHFFFAOYSA-N	1	0	356.470	1.774	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000119407089	525736449	/nfs/dbraw/zinc/73/64/49/525736449.db2.gz	VKERIBBRFLLNQC-OAHLLOKOSA-N	1	0	368.441	1.234	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCOC3(CCCCC3)C2)CC1	ZINC000180687541	525740600	/nfs/dbraw/zinc/74/06/00/525740600.db2.gz	RAIQRBSNTFKEFX-SFHVURJKSA-N	1	0	362.518	1.714	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1	ZINC000119703981	525833187	/nfs/dbraw/zinc/83/31/87/525833187.db2.gz	ZFZVCTQQXOBTTF-UHFFFAOYSA-N	1	0	371.890	1.679	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1	ZINC000119717214	525837485	/nfs/dbraw/zinc/83/74/85/525837485.db2.gz	JXUNWKULTQWLGW-UHFFFAOYSA-N	1	0	355.435	1.165	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@@H](C)c3ccccc3)CC2)o1	ZINC000181378178	525847427	/nfs/dbraw/zinc/84/74/27/525847427.db2.gz	ZRERWMXKIGWDDC-AWEZNQCLSA-N	1	0	353.426	1.854	20	30		FDEDRO
CC[N@H+](CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(C)C	ZINC000131452623	525860327	/nfs/dbraw/zinc/86/03/27/525860327.db2.gz	CEXFJPJSCPFGIC-AWEZNQCLSA-N	1	0	366.487	1.072	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](CN3CCOCC3)C2)cc1	ZINC000131564583	525875173	/nfs/dbraw/zinc/87/51/73/525875173.db2.gz	JIPYIMBFLNXLCM-RTBURBONSA-N	1	0	359.470	1.146	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)N(C)C)cn2C)CC1	ZINC000181621948	525881976	/nfs/dbraw/zinc/88/19/76/525881976.db2.gz	WWKVWQRLAISNGD-UHFFFAOYSA-N	1	0	368.503	1.046	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C(C)(C)COc1ncccc1C(F)(F)F	ZINC000181657976	525885907	/nfs/dbraw/zinc/88/59/07/525885907.db2.gz	OIXZDYWVGJSRDO-UHFFFAOYSA-N	1	0	374.363	1.859	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@H+](C)CCN1CCN(c2ccccc2)CC1	ZINC000131669993	525886808	/nfs/dbraw/zinc/88/68/08/525886808.db2.gz	WJSXEGMAKAFUOL-UHFFFAOYSA-N	1	0	357.502	1.503	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)C1	ZINC000181743975	525916446	/nfs/dbraw/zinc/91/64/46/525916446.db2.gz	LQHCLXSZOSJJQC-GJZGRUSLSA-N	1	0	358.442	1.764	20	30		FDEDRO
CS(=O)(=O)N1CC[C@H](C[NH2+]Cc2cccc(OCCCC#N)c2)C1	ZINC000119970337	525922539	/nfs/dbraw/zinc/92/25/39/525922539.db2.gz	TVMUETVBYVTYHH-MRXNPFEDSA-N	1	0	351.472	1.740	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)c1	ZINC000108605904	526001971	/nfs/dbraw/zinc/00/19/71/526001971.db2.gz	QCPLZFGYYKWKDR-UHFFFAOYSA-N	1	0	357.454	1.874	20	30		FDEDRO
Cc1sc(NC(=O)C[NH2+][C@@H](CC(N)=O)C2CCOCC2)c(C#N)c1C	ZINC000181969035	526002217	/nfs/dbraw/zinc/00/22/17/526002217.db2.gz	DHXQPPPTVVBVGG-AWEZNQCLSA-N	1	0	364.471	1.435	20	30		FDEDRO
CS(=O)(=O)CC1(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1	ZINC000182002179	526015321	/nfs/dbraw/zinc/01/53/21/526015321.db2.gz	ZOVDAJFEJUWKSB-UHFFFAOYSA-N	1	0	361.511	1.937	20	30		FDEDRO
CCCN(CC[NH+](C)C)C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1	ZINC000108814421	526029934	/nfs/dbraw/zinc/02/99/34/526029934.db2.gz	UZJLATICUAYVSU-UHFFFAOYSA-N	1	0	366.487	1.211	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H](C)N2C(=O)c3ccc(C)cc3C2=O)CC1	ZINC000171719912	526091366	/nfs/dbraw/zinc/09/13/66/526091366.db2.gz	RKLKNSHSCJGJCN-AWEZNQCLSA-N	1	0	355.438	1.746	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)CC1	ZINC000171719692	526092207	/nfs/dbraw/zinc/09/22/07/526092207.db2.gz	DALHBZLZKKMFDZ-UHFFFAOYSA-N	1	0	351.472	1.747	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)COc2ccc(N3CCCC3=O)cc2)CC1	ZINC000171722849	526092664	/nfs/dbraw/zinc/09/26/64/526092664.db2.gz	BBUHQVOCDMVDBN-UHFFFAOYSA-N	1	0	357.454	1.959	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)CC1	ZINC000171722133	526092933	/nfs/dbraw/zinc/09/29/33/526092933.db2.gz	CPBCTOQWWWWPDE-HXUWFJFHSA-N	1	0	370.453	1.220	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](C(=O)NCCCC)C2)CC1	ZINC000171739242	526104529	/nfs/dbraw/zinc/10/45/29/526104529.db2.gz	NULSIBGAISIRGS-INIZCTEOSA-N	1	0	350.507	1.975	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NC[C@@](C)(O)c3ccco3)=[NH+]C[C@@H]2C1	ZINC000133988284	526114208	/nfs/dbraw/zinc/11/42/08/526114208.db2.gz	UKKGEOBKCQJNJN-FZKQIMNGSA-N	1	0	364.446	1.368	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1	ZINC000109753049	526172641	/nfs/dbraw/zinc/17/26/41/526172641.db2.gz	ODMBFFKSIFWYKK-FXAWDEMLSA-N	1	0	369.513	1.987	20	30		FDEDRO
COCC(C)(C)[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000182748562	535856686	/nfs/dbraw/zinc/85/66/86/535856686.db2.gz	UMIQCXOEBREGBC-CQSZACIVSA-N	1	0	350.488	1.472	20	30		FDEDRO
CC[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1cccc(S(N)(=O)=O)c1	ZINC000183021864	535905638	/nfs/dbraw/zinc/90/56/38/535905638.db2.gz	QIAUHMAZPVFORU-NVXWUHKLSA-N	1	0	364.471	1.183	20	30		FDEDRO
N#Cc1ccccc1OCC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1	ZINC000183459728	535985287	/nfs/dbraw/zinc/98/52/87/535985287.db2.gz	SRBODUZYCKKEIU-LJQANCHMSA-N	1	0	365.433	1.820	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCCCC[N@H+]2CCC[C@H]2CO)c(Cl)c1	ZINC000183699575	536032246	/nfs/dbraw/zinc/03/22/46/536032246.db2.gz	NIUJHDVWKWTHLJ-AWEZNQCLSA-N	1	0	371.890	1.727	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH2+][C@@H](CO)c1cccc(Br)c1	ZINC000183916389	536066718	/nfs/dbraw/zinc/06/67/18/536066718.db2.gz	WPWJRGXCMYCRKV-AWEZNQCLSA-N	1	0	354.248	1.834	20	30		FDEDRO
C#CCOc1ccccc1C[NH+]1CCC(n2cc(C(=O)OC)nn2)CC1	ZINC000184755795	536181863	/nfs/dbraw/zinc/18/18/63/536181863.db2.gz	DLWSVNNQGYZRLU-UHFFFAOYSA-N	1	0	354.410	1.914	20	30		FDEDRO
C[C@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)N1CC[NH+](C)CC1	ZINC000184901088	536190418	/nfs/dbraw/zinc/19/04/18/536190418.db2.gz	BPYCOTKESKWSJN-GFCCVEGCSA-N	1	0	356.879	1.126	20	30		FDEDRO
C[C@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)CN1CC[NH+](C)CC1	ZINC000184927342	536191788	/nfs/dbraw/zinc/19/17/88/536191788.db2.gz	KFXSGCRZOYADMW-CYBMUJFWSA-N	1	0	370.906	1.373	20	30		FDEDRO
C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)N1CCN(C)CC1	ZINC000185187275	536201647	/nfs/dbraw/zinc/20/16/47/536201647.db2.gz	PURSGTCPGXMFME-QGZVFWFLSA-N	1	0	357.502	1.084	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)CCN1CC[NH+](C)CC1	ZINC000185347737	536206196	/nfs/dbraw/zinc/20/61/96/536206196.db2.gz	TTWODGYURBLRIP-HNNXBMFYSA-N	1	0	350.488	1.171	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)NC(C)(C)CCN1CC[NH+](C)CC1	ZINC000185432306	536208290	/nfs/dbraw/zinc/20/82/90/536208290.db2.gz	NSWBDWWBRBFPID-UHFFFAOYSA-N	1	0	364.515	1.561	20	30		FDEDRO
C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)c2ccc(F)c(C#N)c2)CC1	ZINC000185434054	536208494	/nfs/dbraw/zinc/20/84/94/536208494.db2.gz	BFCXYGBKRPLEPA-UHFFFAOYSA-N	1	0	368.478	1.392	20	30		FDEDRO
CCC[NH+]1CCC(CNS(=O)(=O)c2ccc(C#N)cc2OC)CC1	ZINC000185564497	536212263	/nfs/dbraw/zinc/21/22/63/536212263.db2.gz	SATSVCWANZGQDN-UHFFFAOYSA-N	1	0	351.472	1.967	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)CC[N@H+](C)C2CC2)cc1	ZINC000186806098	536244911	/nfs/dbraw/zinc/24/49/11/536244911.db2.gz	MAQIEDCMKWDPKT-UHFFFAOYSA-N	1	0	351.472	1.317	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCO[C@@]2(CCOC2)C1)C(C)C	ZINC000187128633	536255323	/nfs/dbraw/zinc/25/53/23/536255323.db2.gz	PAUHAJDBWTYVGC-HKUYNNGSSA-N	1	0	351.491	1.886	20	30		FDEDRO
O=C(C#Cc1ccc2c(c1)OCO2)NC1CC[NH+](Cc2cccnc2)CC1	ZINC000187789887	536274547	/nfs/dbraw/zinc/27/45/47/536274547.db2.gz	CMUNIOQPRQKYLT-UHFFFAOYSA-N	1	0	363.417	1.943	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N[C@@H]1CCOc2ccccc21	ZINC000262792885	536902320	/nfs/dbraw/zinc/90/23/20/536902320.db2.gz	ORUULBRYVBXEQQ-GOEBONIOSA-N	1	0	354.458	1.838	20	30		FDEDRO
CC(C)NS(=O)(=O)CCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1	ZINC000266997757	536946678	/nfs/dbraw/zinc/94/66/78/536946678.db2.gz	YSUMDHNBFVNFIY-UHFFFAOYSA-N	1	0	366.409	1.438	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](N3CC[NH+](C4CCOCC4)CC3)C2=O)cc1	ZINC000267019270	536949008	/nfs/dbraw/zinc/94/90/08/536949008.db2.gz	QAXGLPHBPIJGKL-IBGZPJMESA-N	1	0	354.454	1.460	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](CN2CCOCC2)C1	ZINC000246698300	537007305	/nfs/dbraw/zinc/00/73/05/537007305.db2.gz	KNULXTRXJGZPJC-OALUTQOASA-N	1	0	370.497	1.976	20	30		FDEDRO
CCOc1cccc(CCNC(=[NH2+])N2CCN(c3ncccn3)CC2)c1	ZINC000269362564	537020200	/nfs/dbraw/zinc/02/02/00/537020200.db2.gz	PSJGUIHQUCXMCJ-UHFFFAOYSA-N	1	0	354.458	1.555	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000269923015	537029829	/nfs/dbraw/zinc/02/98/29/537029829.db2.gz	AZPWQVVHAVBCPZ-JMPLFQLZSA-N	1	0	351.809	1.478	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000269923013	537030059	/nfs/dbraw/zinc/03/00/59/537030059.db2.gz	AZPWQVVHAVBCPZ-JJMVLAAESA-N	1	0	351.809	1.478	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CCCC(=O)NCC[N@@H+]1CCCOCC1	ZINC000189380838	537036367	/nfs/dbraw/zinc/03/63/67/537036367.db2.gz	QTKATHHEVLKKIJ-UHFFFAOYSA-N	1	0	358.442	1.506	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCc1ccc(C#N)cc1	ZINC000263676673	537062356	/nfs/dbraw/zinc/06/23/56/537062356.db2.gz	JTCDRCZMSBUCPT-QGZVFWFLSA-N	1	0	357.458	1.300	20	30		FDEDRO
CC[N@H+](CCNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)C1CC1	ZINC000263702504	537071754	/nfs/dbraw/zinc/07/17/54/537071754.db2.gz	IZEQUSPUSIQBTA-UHFFFAOYSA-N	1	0	354.458	1.751	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC(Nc3nccc(OC)n3)CC2)CC1	ZINC000190052104	537133409	/nfs/dbraw/zinc/13/34/09/537133409.db2.gz	UPYZKHIMYWYVCC-UHFFFAOYSA-N	1	0	374.489	1.722	20	30		FDEDRO
C[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)COCc1ccccc1	ZINC000264101844	537137395	/nfs/dbraw/zinc/13/73/95/537137395.db2.gz	OKUNUVFPOOMDBN-KRWDZBQOSA-N	1	0	368.485	1.766	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCC(C)(C)N2CCOCC2)cc1OC	ZINC000264152238	537138486	/nfs/dbraw/zinc/13/84/86/537138486.db2.gz	ZPQPRFGLQGHWKH-UHFFFAOYSA-N	1	0	364.490	1.261	20	30		FDEDRO
CCOCc1cc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)ccc1OC	ZINC000264942619	537150118	/nfs/dbraw/zinc/15/01/18/537150118.db2.gz	GZFJXOCMROXQDG-HNENSFHCSA-N	1	0	359.426	1.848	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NCC[NH+](CC)CC)ccc1F	ZINC000248257036	537171929	/nfs/dbraw/zinc/17/19/29/537171929.db2.gz	OVURLTNGFQGTAR-UHFFFAOYSA-N	1	0	357.451	1.362	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@]2(O)C[C@@H](OCC)C2(C)C)CC1	ZINC000190559375	537178463	/nfs/dbraw/zinc/17/84/63/537178463.db2.gz	PFTGYLRUBKNAIA-VQIMIIECSA-N	1	0	353.507	1.892	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)[C@H]1CO	ZINC000248986465	537223951	/nfs/dbraw/zinc/22/39/51/537223951.db2.gz	WJCZQEJHSHHENV-PMPSAXMXSA-N	1	0	362.499	1.160	20	30		FDEDRO
COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCC(C)(C#N)CC2)c(OC)c1	ZINC000272637603	537307558	/nfs/dbraw/zinc/30/75/58/537307558.db2.gz	XEICJLGWDHPWTF-OAHLLOKOSA-N	1	0	362.426	1.847	20	30		FDEDRO
COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCC(C)(C#N)CC2)c(OC)c1	ZINC000272637602	537307673	/nfs/dbraw/zinc/30/76/73/537307673.db2.gz	XEICJLGWDHPWTF-HNNXBMFYSA-N	1	0	362.426	1.847	20	30		FDEDRO
C#CCNC(=O)CC[N@@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1	ZINC000293040987	537307858	/nfs/dbraw/zinc/30/78/58/537307858.db2.gz	JSDDGANKIFTHMW-LJQANCHMSA-N	1	0	369.513	1.055	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1	ZINC000282520849	537326663	/nfs/dbraw/zinc/32/66/63/537326663.db2.gz	ACUXEQXKYPMPBY-IUODEOHRSA-N	1	0	358.895	1.869	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1	ZINC000282540704	537326750	/nfs/dbraw/zinc/32/67/50/537326750.db2.gz	DFWRVEFBRGQCIY-INIZCTEOSA-N	1	0	368.503	1.203	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[N@H+](CC)C[C@H](O)COc1ccc(CCOC)cc1	ZINC000293105123	537344828	/nfs/dbraw/zinc/34/48/28/537344828.db2.gz	YCGGZWOLRZKBKD-WMZOPIPTSA-N	1	0	362.470	1.075	20	30		FDEDRO
N#C[C@H]1CC[C@H]([NH2+]C2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)C1	ZINC000333065302	537346284	/nfs/dbraw/zinc/34/62/84/537346284.db2.gz	JFTDYBAMNZDGNM-STQMWFEESA-N	1	0	363.439	1.113	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1	ZINC000283069756	537350267	/nfs/dbraw/zinc/35/02/67/537350267.db2.gz	USYJQFYOJQGLNQ-WMZOPIPTSA-N	1	0	364.515	1.619	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2csc(COC)n2)CC1	ZINC000290450128	537352789	/nfs/dbraw/zinc/35/27/89/537352789.db2.gz	CODOUIMVWIVQOC-UHFFFAOYSA-N	1	0	355.464	1.315	20	30		FDEDRO
CC(C)(CN1CCn2ccnc2C1)C(=O)NCCOc1ccc(C#N)cc1	ZINC000363890792	537357263	/nfs/dbraw/zinc/35/72/63/537357263.db2.gz	RSZCCMXXPAIXBN-UHFFFAOYSA-N	1	0	367.453	1.792	20	30		FDEDRO
COC(C[N@H+](CCCO)CCC(=O)Nc1ccc(C#N)c(Cl)c1)OC	ZINC000298978254	537393599	/nfs/dbraw/zinc/39/35/99/537393599.db2.gz	PJHHYRTXQRNPMW-UHFFFAOYSA-N	1	0	369.849	1.844	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(N(CC)CC)cc2)CC1	ZINC000284252096	537405350	/nfs/dbraw/zinc/40/53/50/537405350.db2.gz	RIKCUXQPWYDHLL-UHFFFAOYSA-N	1	0	372.513	1.916	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cc(C)n(CCC#N)n2)CC1=O	ZINC000271124439	537405535	/nfs/dbraw/zinc/40/55/35/537405535.db2.gz	KNOIGKZEPRIZSS-HOTGVXAUSA-N	1	0	372.473	1.377	20	30		FDEDRO
CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cc1C#N	ZINC000365042197	537417426	/nfs/dbraw/zinc/41/74/26/537417426.db2.gz	IZPGUCJNXLKMSD-LJQANCHMSA-N	1	0	367.409	1.935	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2CC[NH3+])ccc1F	ZINC000286093703	537419462	/nfs/dbraw/zinc/41/94/62/537419462.db2.gz	NHVWLVHCKQTDAU-CQSZACIVSA-N	1	0	369.462	1.634	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)c(OC)c1	ZINC000299096869	537441551	/nfs/dbraw/zinc/44/15/51/537441551.db2.gz	PMKOFTHALYYUCI-MSOLQXFVSA-N	1	0	374.481	1.906	20	30		FDEDRO
C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000288069915	537451569	/nfs/dbraw/zinc/45/15/69/537451569.db2.gz	GENWTJBHIDTINN-VQTJNVASSA-N	1	0	355.482	1.985	20	30		FDEDRO
C#CC[C@@H]([NH2+]CCCn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccccc1	ZINC000299167155	537460705	/nfs/dbraw/zinc/46/07/05/537460705.db2.gz	XWTFZBXHCBALIL-MRXNPFEDSA-N	1	0	365.437	1.178	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2cnn(C(C)C)c2c1	ZINC000293524173	537501696	/nfs/dbraw/zinc/50/16/96/537501696.db2.gz	ZGDWHLBUFZSRSL-UHFFFAOYSA-N	1	0	355.442	1.627	20	30		FDEDRO
CC[NH2+]CC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1	ZINC000237055019	537609221	/nfs/dbraw/zinc/60/92/21/537609221.db2.gz	UQOADMNUKODXQF-UHFFFAOYSA-N	1	0	352.416	1.477	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CNC(=O)NCc1ccc(Cl)cc1	ZINC000293934255	537626377	/nfs/dbraw/zinc/62/63/77/537626377.db2.gz	IHQDSKLKQPCMKJ-UHFFFAOYSA-N	1	0	350.850	1.211	20	30		FDEDRO
C[NH+](C)CC1(CNC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)CCCC1	ZINC000329175174	537635506	/nfs/dbraw/zinc/63/55/06/537635506.db2.gz	LLCXLGQFSUWVAV-BBWFWOEESA-N	1	0	353.507	1.884	20	30		FDEDRO
O=C(CN1CCOCC1=O)NCC1(C[NH+]2CCOCC2)CCCCC1	ZINC000329829593	537643139	/nfs/dbraw/zinc/64/31/39/537643139.db2.gz	DTMFKJWWHIPHFV-UHFFFAOYSA-N	1	0	353.463	1.084	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(C)[C@H](c2nccn2C)C1)[NH+]1CCC(C)CC1	ZINC000329955587	537647889	/nfs/dbraw/zinc/64/78/89/537647889.db2.gz	KUHDBFNNQDGHTP-SJORKVTESA-N	1	0	362.522	1.743	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC(C(=O)OC(C)(C)C)CC1	ZINC000330745389	537660601	/nfs/dbraw/zinc/66/06/01/537660601.db2.gz	SMHPJHMNVPEAPN-OAHLLOKOSA-N	1	0	354.495	1.200	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](CC(N)=O)C2CCCCC2)nc1	ZINC000290107345	537672187	/nfs/dbraw/zinc/67/21/87/537672187.db2.gz	YANGGYMCHNHRMX-OAHLLOKOSA-N	1	0	364.471	1.141	20	30		FDEDRO
C=C[C@H](CO)NC(=O)C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1	ZINC000290117447	537673351	/nfs/dbraw/zinc/67/33/51/537673351.db2.gz	RVYAIKZUXGRKSQ-MRXNPFEDSA-N	1	0	374.485	1.127	20	30		FDEDRO
CC1(C)OCC[C@H]1[NH2+]CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000295319696	537712407	/nfs/dbraw/zinc/71/24/07/537712407.db2.gz	WHSHZRUIZKURMS-ZWKOTPCHSA-N	1	0	374.460	1.692	20	30		FDEDRO
CN(C[C@@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)C1)S(C)(=O)=O	ZINC000285470697	537717153	/nfs/dbraw/zinc/71/71/53/537717153.db2.gz	BZFKOMKAAVYMHI-KRWDZBQOSA-N	1	0	365.499	1.931	20	30		FDEDRO
Cn1cc(CNc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)cc1C#N	ZINC000285491704	537721573	/nfs/dbraw/zinc/72/15/73/537721573.db2.gz	ITLUJNNEKMSBST-UHFFFAOYSA-N	1	0	361.471	1.349	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CC[N@@H+](C[C@H](O)COc3ccccc3F)C2)nc1	ZINC000292286591	537725007	/nfs/dbraw/zinc/72/50/07/537725007.db2.gz	TWRXUHAXBFHIEX-HOTGVXAUSA-N	1	0	357.385	1.985	20	30		FDEDRO
CC[C@@](C)(C#N)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000285560101	537730472	/nfs/dbraw/zinc/73/04/72/537730472.db2.gz	VHHRAVLTQLLUKZ-PXNSSMCTSA-N	1	0	356.470	1.940	20	30		FDEDRO
CC1(C)NC(=O)N(CCC[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1=O	ZINC000292371419	537730872	/nfs/dbraw/zinc/73/08/72/537730872.db2.gz	YOCVXMQNBCFMDQ-AWEZNQCLSA-N	1	0	357.414	1.127	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]1CC=CCC1	ZINC000285676588	537745326	/nfs/dbraw/zinc/74/53/26/537745326.db2.gz	WVZCMGRUFCPXHG-GOSISDBHSA-N	1	0	368.481	1.921	20	30		FDEDRO
C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(-c4cccc(C#N)c4)no3)[C@@H]2C1	ZINC000285730216	537751982	/nfs/dbraw/zinc/75/19/82/537751982.db2.gz	KJLOMDYCLFTNRV-IAGOWNOFSA-N	1	0	352.394	1.758	20	30		FDEDRO
N#CCN1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CC1	ZINC000375801650	537774552	/nfs/dbraw/zinc/77/45/52/537774552.db2.gz	MMLAMDJEOKJDJA-KRWDZBQOSA-N	1	0	362.424	1.812	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)NCCSCc2ccccc2C#N)CC[C@H]1[NH3+]	ZINC000418909981	537837572	/nfs/dbraw/zinc/83/75/72/537837572.db2.gz	AUJBPLHPRPQNMB-XJKSGUPXSA-N	1	0	360.483	1.103	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1C#N	ZINC000372179137	537892728	/nfs/dbraw/zinc/89/27/28/537892728.db2.gz	AXKSRRBOVOEAPW-MRXNPFEDSA-N	1	0	362.499	1.267	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+]	ZINC000419058890	537916484	/nfs/dbraw/zinc/91/64/84/537916484.db2.gz	QRBBFMYENCIKGR-KURKYZTESA-N	1	0	359.470	1.255	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](CO)[C@H]2CCCOC2)c1C	ZINC000411994189	537927215	/nfs/dbraw/zinc/92/72/15/537927215.db2.gz	MXLIEGUECAYERM-ROUUACIJSA-N	1	0	359.470	1.927	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1	ZINC000367135738	537948959	/nfs/dbraw/zinc/94/89/59/537948959.db2.gz	PAZDENUSDAWROB-AEFFLSMTSA-N	1	0	364.515	1.824	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000367135158	537949017	/nfs/dbraw/zinc/94/90/17/537949017.db2.gz	IACDEHHJWQTUJY-NVXWUHKLSA-N	1	0	350.488	1.434	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1	ZINC000414992741	537952335	/nfs/dbraw/zinc/95/23/35/537952335.db2.gz	BZTBQZPOJLMSQL-MRXNPFEDSA-N	1	0	357.458	1.857	20	30		FDEDRO
C[NH+](C)CCn1ccc(=NC(=O)N[C@H]2CCCc3cc(C#N)ccc32)[nH]1	ZINC000416867329	537960487	/nfs/dbraw/zinc/96/04/87/537960487.db2.gz	SGQHCNSHFVICRG-KRWDZBQOSA-N	1	0	352.442	2.515	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C	ZINC000369123317	538001144	/nfs/dbraw/zinc/00/11/44/538001144.db2.gz	ZUTTUJDYZQGUAO-IRXDYDNUSA-N	1	0	364.515	1.919	20	30		FDEDRO
C[NH+]1CCN(Cc2ccc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)CC1	ZINC000369219335	538005628	/nfs/dbraw/zinc/00/56/28/538005628.db2.gz	DIMUTYKTMSBQMN-FQEVSTJZSA-N	1	0	367.497	1.246	20	30		FDEDRO
C#CCCOc1ccc(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1	ZINC000377977112	538053031	/nfs/dbraw/zinc/05/30/31/538053031.db2.gz	KKFDNGZQWCKDDA-JXFKEZNVSA-N	1	0	355.438	1.899	20	30		FDEDRO
C=CCN1CC(=O)N([C@@H]2CC[N@@H+](Cc3cc(OC)cc(OC)c3)C2)C1=O	ZINC000372914659	538060817	/nfs/dbraw/zinc/06/08/17/538060817.db2.gz	QQNVVVBCACIAGK-OAHLLOKOSA-N	1	0	359.426	1.728	20	30		FDEDRO
C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000423648220	538130282	/nfs/dbraw/zinc/13/02/82/538130282.db2.gz	ILQIMZBWLDLNCX-ZBFHGGJFSA-N	1	0	370.453	1.124	20	30		FDEDRO
C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000423653982	538133281	/nfs/dbraw/zinc/13/32/81/538133281.db2.gz	PVDYRSUTIYNXSA-GDBMZVCRSA-N	1	0	370.453	1.124	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@@H](C(C)C)C3)CC2)o1	ZINC000444769654	538196628	/nfs/dbraw/zinc/19/66/28/538196628.db2.gz	IZLVAJUVFONXSH-MRXNPFEDSA-N	1	0	359.474	1.871	20	30		FDEDRO
C[NH+](C)CCOC1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC1	ZINC000451244708	538215200	/nfs/dbraw/zinc/21/52/00/538215200.db2.gz	RRBXFQBFJFCJPF-UHFFFAOYSA-N	1	0	369.462	1.570	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@@H](C)C(=O)OC(C)(C)C)CC1	ZINC000422292404	538216166	/nfs/dbraw/zinc/21/61/66/538216166.db2.gz	GSNGYNXSVFWPGH-CQSZACIVSA-N	1	0	367.490	1.189	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H](C)Cc2cccc(F)c2)CC1	ZINC000422300098	538220688	/nfs/dbraw/zinc/22/06/88/538220688.db2.gz	UUJCKGDPXMTHQX-HNNXBMFYSA-N	1	0	361.461	1.982	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)cc2C1=O	ZINC000424053627	538224735	/nfs/dbraw/zinc/22/47/35/538224735.db2.gz	OYSKZXNHRRXGKF-IPYPFGDCSA-N	1	0	355.438	1.914	20	30		FDEDRO
N#CCCn1cc(C[NH2+]C[C@@]2(CCO)CCOC2)c(-c2ccncc2)n1	ZINC000433334267	538225980	/nfs/dbraw/zinc/22/59/80/538225980.db2.gz	GWJRCWIZSFKYNF-LJQANCHMSA-N	1	0	355.442	1.737	20	30		FDEDRO
COc1cc(CCNC(=O)[C@H]([NH3+])CCCC#N)c([N+](=O)[O-])cc1OC	ZINC000424060099	538227587	/nfs/dbraw/zinc/22/75/87/538227587.db2.gz	GVTPVHHWVOYAOS-GFCCVEGCSA-N	1	0	350.375	1.292	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O	ZINC000424173251	538249363	/nfs/dbraw/zinc/24/93/63/538249363.db2.gz	OEDKDHZHXGZFFE-UONOGXRCSA-N	1	0	352.797	1.722	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](c2cccnc2)C2CC2)CC1	ZINC000445805607	538254841	/nfs/dbraw/zinc/25/48/41/538254841.db2.gz	MHUJEMLHZKEIPC-UYAOXDASSA-N	1	0	355.486	1.815	20	30		FDEDRO
C=CCOc1cc(OC)ccc1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1	ZINC000424221456	538258266	/nfs/dbraw/zinc/25/82/66/538258266.db2.gz	BTJLXOUGPJXRJV-DLBZAZTESA-N	1	0	356.426	1.560	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1	ZINC000422493720	538284948	/nfs/dbraw/zinc/28/49/48/538284948.db2.gz	YZQLYLCSIBRAGT-KRWDZBQOSA-N	1	0	368.481	1.921	20	30		FDEDRO
CC(C)C[C@H](C[NH3+])NS(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000420455405	538296707	/nfs/dbraw/zinc/29/67/07/538296707.db2.gz	NEGLSXTYHGUHLM-LLVKDONJSA-N	1	0	360.277	1.972	20	30		FDEDRO
C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000420469777	538300805	/nfs/dbraw/zinc/30/08/05/538300805.db2.gz	ZPARRXIVMWVQHR-LLVKDONJSA-N	1	0	358.261	1.693	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)CN1CCN(C2CC[NH+](C(C)C)CC2)CC1	ZINC000441055449	538304676	/nfs/dbraw/zinc/30/46/76/538304676.db2.gz	NLQUVVJUPQHXGE-SFHVURJKSA-N	1	0	363.550	1.485	20	30		FDEDRO
C[C@H]1CC2(CN1C(=O)C(=O)NCc1ccc(C#N)c(F)c1)CC[NH2+]CC2	ZINC000424484923	538312357	/nfs/dbraw/zinc/31/23/57/538312357.db2.gz	BCEDSQKWEIOSGO-ZDUSSCGKSA-N	1	0	358.417	1.304	20	30		FDEDRO
C=CC[N@H+](C[C@@H]1CCS(=O)(=O)C1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000434539232	538328320	/nfs/dbraw/zinc/32/83/20/538328320.db2.gz	FUDXDBWLOHSUJI-GJZGRUSLSA-N	1	0	361.471	1.646	20	30		FDEDRO
COc1cc(C#N)ccc1OCCCC(=O)NC[C@@]1(O)C[NH+]2CCC1CC2	ZINC000560505165	545528483	/nfs/dbraw/zinc/52/84/83/545528483.db2.gz	GYKCLMUSKFSOEE-HXUWFJFHSA-N	1	0	373.453	1.299	20	30		FDEDRO
CNC(=O)C[N@H+](C)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1	ZINC000434674620	538341039	/nfs/dbraw/zinc/34/10/39/538341039.db2.gz	IIWBZZPZRDFDRD-UHFFFAOYSA-N	1	0	371.441	1.624	20	30		FDEDRO
COCCO[C@H]1C[C@H](CO)C[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1	ZINC000447404040	538382504	/nfs/dbraw/zinc/38/25/04/538382504.db2.gz	RJNVYQAYTNSMIH-WMZOPIPTSA-N	1	0	361.442	1.233	20	30		FDEDRO
N#Cc1ccc(CNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)s1	ZINC000421921309	538409183	/nfs/dbraw/zinc/40/91/83/538409183.db2.gz	QACHNGGVISAYOS-UHFFFAOYSA-N	1	0	355.467	1.843	20	30		FDEDRO
C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1	ZINC000460773343	538495181	/nfs/dbraw/zinc/49/51/81/538495181.db2.gz	JQQYUYYPYIYEIK-ZWKOTPCHSA-N	1	0	374.533	1.922	20	30		FDEDRO
C=C(CC)CNC(=O)C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000454042067	538498174	/nfs/dbraw/zinc/49/81/74/538498174.db2.gz	ZCEJREGORBTDKU-UHFFFAOYSA-N	1	0	358.486	1.845	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1	ZINC000472099907	538581120	/nfs/dbraw/zinc/58/11/20/538581120.db2.gz	LRHVWBFKENEVML-OAHLLOKOSA-N	1	0	360.458	1.088	20	30		FDEDRO
N#Cc1cccnc1-n1cc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cn1	ZINC000462070364	538594418	/nfs/dbraw/zinc/59/44/18/538594418.db2.gz	GZVPQYBLSCMYCZ-HZPDHXFCSA-N	1	0	351.414	1.887	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H](C)C[NH+](CC)CC	ZINC000477109235	538595613	/nfs/dbraw/zinc/59/56/13/538595613.db2.gz	SSFMODQSPOOCLT-INIZCTEOSA-N	1	0	356.470	1.919	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@@H+]1CCOC	ZINC000477109449	538596403	/nfs/dbraw/zinc/59/64/03/538596403.db2.gz	QBTJGSPPVYRQIN-LJQANCHMSA-N	1	0	374.485	1.827	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1	ZINC000472159333	538597130	/nfs/dbraw/zinc/59/71/30/538597130.db2.gz	SBOSUJQCKZXDKI-LPHOPBHVSA-N	1	0	353.470	1.383	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CCNS(=O)(=O)CC2(C#N)CCC2)cc1	ZINC000477497390	538647020	/nfs/dbraw/zinc/64/70/20/538647020.db2.gz	DRDAAACAOCDNLQ-UHFFFAOYSA-N	1	0	365.499	1.783	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCC[NH+]2CCCC2)cc1	ZINC000483485785	538704571	/nfs/dbraw/zinc/70/45/71/538704571.db2.gz	HGZJLPZSXSZBDE-CQSZACIVSA-N	1	0	364.471	1.980	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)N1CCC(OCC[NH+](CC)CC)CC1	ZINC000459817602	538708144	/nfs/dbraw/zinc/70/81/44/538708144.db2.gz	ANEWYYFMDSCEBI-UHFFFAOYSA-N	1	0	353.507	1.760	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1OC	ZINC000498481962	538833520	/nfs/dbraw/zinc/83/35/20/538833520.db2.gz	RMVABEQJVWPPNP-OAGGEKHMSA-N	1	0	372.469	1.835	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2	ZINC000480092774	538845997	/nfs/dbraw/zinc/84/59/97/538845997.db2.gz	DEBINSOGQNWOIM-FQEVSTJZSA-N	1	0	370.453	1.840	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]C2CCN(C(=O)C3CC3)CC2)cc1	ZINC000560839843	545617546	/nfs/dbraw/zinc/61/75/46/545617546.db2.gz	JZCAKVUXYPGPFV-SFHVURJKSA-N	1	0	357.454	1.483	20	30		FDEDRO
N#Cc1ncn(CC(=O)Nc2ccnc(N3CCc4ccccc4C3)c2)n1	ZINC000561110291	545688715	/nfs/dbraw/zinc/68/87/15/545688715.db2.gz	UYRCDVWMOJLAPQ-UHFFFAOYSA-N	1	0	359.393	1.746	20	30		FDEDRO
N#Cc1nnc2ccccc2c1NCC(=O)NCC[NH+]1CCCCCC1	ZINC000562390314	546121381	/nfs/dbraw/zinc/12/13/81/546121381.db2.gz	RQRIXWITZKSNPQ-UHFFFAOYSA-N	1	0	352.442	1.906	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)CC[N@@H+]1C	ZINC000562880810	546303339	/nfs/dbraw/zinc/30/33/39/546303339.db2.gz	RRWVBZAAHVLMHK-HZPDHXFCSA-N	1	0	369.469	1.064	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1	ZINC000562987486	546343210	/nfs/dbraw/zinc/34/32/10/546343210.db2.gz	XQLQZLKLWXNWQU-QGZVFWFLSA-N	1	0	356.426	1.828	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)Cc2ccc(CC#N)cc2)CCN1CC(C)(C)O	ZINC000563064290	546380609	/nfs/dbraw/zinc/38/06/09/546380609.db2.gz	ZZCQSWYDYVDBFP-HNNXBMFYSA-N	1	0	365.499	1.359	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1	ZINC000563617999	546616961	/nfs/dbraw/zinc/61/69/61/546616961.db2.gz	MSYHIAFSIGISKS-ZFWWWQNUSA-N	1	0	354.857	1.854	20	30		FDEDRO
CC(C)[NH2+]CCCNC(=O)C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	ZINC000563648497	546631892	/nfs/dbraw/zinc/63/18/92/546631892.db2.gz	YKGRNUBJMYZRKE-MSOLQXFVSA-N	1	0	356.470	1.789	20	30		FDEDRO
COC[C@@]1(CNC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCC[NH2+]1	ZINC000564429396	546911685	/nfs/dbraw/zinc/91/16/85/546911685.db2.gz	CJPABDKSFSYBSF-SFHVURJKSA-N	1	0	372.404	1.773	20	30		FDEDRO
N#Cc1csc(C[NH2+]C[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)n1	ZINC000564688980	547002722	/nfs/dbraw/zinc/00/27/22/547002722.db2.gz	KYLGYCSFWBAVFB-DLBZAZTESA-N	1	0	367.478	1.703	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)N[C@@]3(CCC[NH2+]C3)C2=O)c(OC(F)F)c1	ZINC000564925845	547107630	/nfs/dbraw/zinc/10/76/30/547107630.db2.gz	HSASAXBLNJWGKN-MRXNPFEDSA-N	1	0	350.325	1.334	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H](CO)Cc2ccccc2)cc1	ZINC000565422490	547344615	/nfs/dbraw/zinc/34/46/15/547344615.db2.gz	QWRKCBHDYQEKEQ-GOSISDBHSA-N	1	0	358.463	1.773	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)ccc1Cl	ZINC000565539716	547389750	/nfs/dbraw/zinc/38/97/50/547389750.db2.gz	QEFHMHVSKAFDOX-ZDUSSCGKSA-N	1	0	369.874	1.588	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]Cc1cc(Cl)ccc1N1CCOCC1	ZINC000566125398	547615551	/nfs/dbraw/zinc/61/55/51/547615551.db2.gz	RIZAPGVDODFPAV-QGZVFWFLSA-N	1	0	366.893	1.473	20	30		FDEDRO
C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1CCC(CCC#N)CC1	ZINC000566174299	547640655	/nfs/dbraw/zinc/64/06/55/547640655.db2.gz	QZMLECKHEHSWSC-INIZCTEOSA-N	1	0	372.469	1.968	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccc(CC#N)cc3)CC[C@@H]21	ZINC000566738576	547869958	/nfs/dbraw/zinc/86/99/58/547869958.db2.gz	YVBALDNGAIBSPR-ROUUACIJSA-N	1	0	354.454	1.312	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](c2ccnc(N)n2)C1	ZINC000566783566	547883921	/nfs/dbraw/zinc/88/39/21/547883921.db2.gz	KFLNEGFJMJOEHT-HNNXBMFYSA-N	1	0	350.426	2.139	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N1CCC([N@@H+]2CCOC[C@H]2C)CC1	ZINC000567062438	547983158	/nfs/dbraw/zinc/98/31/58/547983158.db2.gz	OIFSCCCOHCDYAO-BEFAXECRSA-N	1	0	357.454	1.957	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)N2CCC(C#N)(c3ccccn3)CC2)CC1	ZINC000567451564	548121186	/nfs/dbraw/zinc/12/11/86/548121186.db2.gz	IBXVFPWYSROCQQ-UHFFFAOYSA-N	1	0	355.486	1.493	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC(CCC#N)CC2)CC1=O	ZINC000567738365	548237938	/nfs/dbraw/zinc/23/79/38/548237938.db2.gz	JNVDCBOSELUWCW-ROUUACIJSA-N	1	0	360.502	1.862	20	30		FDEDRO
C=CCN=c1[nH]cc(C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)s1	ZINC000567841944	548287325	/nfs/dbraw/zinc/28/73/25/548287325.db2.gz	WGLXHEYOTVYJLU-KBPBESRZSA-N	1	0	350.488	2.100	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1	ZINC000568241781	548454932	/nfs/dbraw/zinc/45/49/32/548454932.db2.gz	YYTVAIXCLIEKOM-ROUUACIJSA-N	1	0	364.534	1.333	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1	ZINC000568241797	548455569	/nfs/dbraw/zinc/45/55/69/548455569.db2.gz	ZMVJFTWXPZFLAQ-UHFFFAOYSA-N	1	0	360.458	1.601	20	30		FDEDRO
COC[C@]1(CNC(=O)N2CCN(c3ccccc3C#N)CC2)CCC[NH2+]1	ZINC000568856384	548706758	/nfs/dbraw/zinc/70/67/58/548706758.db2.gz	UQCXLSZUXVREJR-LJQANCHMSA-N	1	0	357.458	1.158	20	30		FDEDRO
N#Cc1ccsc1NC(=O)C(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1	ZINC000569324706	548874329	/nfs/dbraw/zinc/87/43/29/548874329.db2.gz	ZMZDHRGCFMLNCW-HNNXBMFYSA-N	1	0	370.434	1.764	20	30		FDEDRO
N#CCCC1CC[NH+](CCC(=O)N2CCN(c3ncccn3)CC2)CC1	ZINC000569358166	548889457	/nfs/dbraw/zinc/88/94/57/548889457.db2.gz	LQTPCXLCFHLAFN-UHFFFAOYSA-N	1	0	356.474	1.531	20	30		FDEDRO
C[C@@H](COCC(F)(F)F)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000569837342	549066480	/nfs/dbraw/zinc/06/64/80/549066480.db2.gz	NTTZZZQRKDZLJP-NSHDSACASA-N	1	0	350.362	1.889	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)N[C@@H]1CCN(CC)[C@@H]1c1cc(F)c(F)c(F)c1	ZINC000570194095	549191626	/nfs/dbraw/zinc/19/16/26/549191626.db2.gz	RUZVYWIFUPTZFW-GDBMZVCRSA-N	1	0	369.387	2.000	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+][C@@H]3CCCN(Cc4ccccn4)C3=O)cnc12	ZINC000570212134	549198345	/nfs/dbraw/zinc/19/83/45/549198345.db2.gz	UYNZUPHZRVSTBZ-QGZVFWFLSA-N	1	0	361.409	1.277	20	30		FDEDRO
CN1CC[N@H+](CCCNc2ccc(C#N)c(N)n2)[C@H](c2ccccc2)C1	ZINC000570344150	549246437	/nfs/dbraw/zinc/24/64/37/549246437.db2.gz	SLJVMOJEVSPSQB-SFHVURJKSA-N	1	0	350.470	2.326	20	30		FDEDRO
COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCn1cnc(C#N)n1	ZINC000570453708	549285624	/nfs/dbraw/zinc/28/56/24/549285624.db2.gz	ACVRWQINWGPPKA-NSHDSACASA-N	1	0	362.821	1.819	20	30		FDEDRO
C=CCn1c([C@H]2CCCO2)nnc1N1CCC(C[NH+]2CCOCC2)CC1	ZINC000571036397	549501385	/nfs/dbraw/zinc/50/13/85/549501385.db2.gz	AYKQGPSYDNBNPZ-QGZVFWFLSA-N	1	0	361.490	1.864	20	30		FDEDRO
CC(C)[C@@H](C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1)N1CC[NH+](C)CC1	ZINC000571874929	549788273	/nfs/dbraw/zinc/78/82/73/549788273.db2.gz	GQLUKDNGXNMYIP-PZJWPPBQSA-N	1	0	374.529	1.354	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000572131616	549849351	/nfs/dbraw/zinc/84/93/51/549849351.db2.gz	IRBUDNUEDNZNJD-LJQANCHMSA-N	1	0	370.497	1.879	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC([N@@H+]2CCOC[C@H]2C)CC1	ZINC000572480846	549923945	/nfs/dbraw/zinc/92/39/45/549923945.db2.gz	XNQCYFLHYUPCRF-SJORKVTESA-N	1	0	362.518	1.903	20	30		FDEDRO
C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+](C)CCOCc1ccc(C#N)cc1	ZINC000572678222	549970726	/nfs/dbraw/zinc/97/07/26/549970726.db2.gz	JIPSYPNWTYTRBV-YJBOKZPZSA-N	1	0	372.469	1.119	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCN(c3ccccc3)C2)nc1	ZINC000572714011	549977550	/nfs/dbraw/zinc/97/75/50/549977550.db2.gz	RZOUMWNIDNXCIN-QGZVFWFLSA-N	1	0	370.478	1.843	20	30		FDEDRO
C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000572777506	549992369	/nfs/dbraw/zinc/99/23/69/549992369.db2.gz	LIDPMAOEHSGAGL-GJZGRUSLSA-N	1	0	354.454	1.826	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c(F)c1	ZINC000572813229	549999470	/nfs/dbraw/zinc/99/94/70/549999470.db2.gz	IDWAQWKKLSPBAK-OAHLLOKOSA-N	1	0	351.447	1.945	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cccc(-n3cccn3)c2C#N)CC1	ZINC000572985886	550038523	/nfs/dbraw/zinc/03/85/23/550038523.db2.gz	UNQPVQRXTCZSRC-IBGZPJMESA-N	1	0	364.453	1.487	20	30		FDEDRO
N#CCC[C@H](C#N)C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2	ZINC000573084280	550059592	/nfs/dbraw/zinc/05/95/92/550059592.db2.gz	PHJBHNLBMWGYQF-NZSAHSFTSA-N	1	0	351.454	1.618	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(S(=O)(=O)CCC(C)(C)C#N)CC2)CC1	ZINC000573141316	550073928	/nfs/dbraw/zinc/07/39/28/550073928.db2.gz	BCGXSPNBJXQSQR-UHFFFAOYSA-N	1	0	370.563	1.746	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H]1C[C@@H](O)C1(C)C	ZINC000573217849	550089904	/nfs/dbraw/zinc/08/99/04/550089904.db2.gz	SAIOMBXDBUSHCV-JKSUJKDBSA-N	1	0	362.474	1.701	20	30		FDEDRO
COC1CCN(C(C)(C)C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000573317869	550110229	/nfs/dbraw/zinc/11/02/29/550110229.db2.gz	ZEWABNPLPLZOAV-KRWDZBQOSA-N	1	0	361.486	1.777	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)N2CCC([NH2+]CCOC)CC2)c1	ZINC000574164646	550269013	/nfs/dbraw/zinc/26/90/13/550269013.db2.gz	JGCTVTUDCNDAQM-UHFFFAOYSA-N	1	0	361.442	1.417	20	30		FDEDRO
Cc1ncc2c(n1)CC[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C2	ZINC000574684055	550353718	/nfs/dbraw/zinc/35/37/18/550353718.db2.gz	CPSYFRDNBNBSKK-INIZCTEOSA-N	1	0	356.451	1.578	20	30		FDEDRO
COC[C@@H](Cc1ccccc1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000574869110	550383776	/nfs/dbraw/zinc/38/37/76/550383776.db2.gz	NVTHXATXUQMEIQ-QGZVFWFLSA-N	1	0	359.451	1.574	20	30		FDEDRO
COC[C@H](Cc1ccccc1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000574869109	550383799	/nfs/dbraw/zinc/38/37/99/550383799.db2.gz	NVTHXATXUQMEIQ-KRWDZBQOSA-N	1	0	359.451	1.574	20	30		FDEDRO
COc1ccc(-c2noc(CCC(=O)N[C@@](C)(C#N)CN(C)C)n2)cc1	ZINC000574892834	550388033	/nfs/dbraw/zinc/38/80/33/550388033.db2.gz	HASXNFNUWHVAMZ-SFHVURJKSA-N	1	0	357.414	1.638	20	30		FDEDRO
N#Cc1cccc([N+](=O)[O-])c1CN1C(=O)N[C@@]2(CCCC[C@@H]2C[NH3+])C1=O	ZINC000576515820	550557785	/nfs/dbraw/zinc/55/77/85/550557785.db2.gz	WKLBWCMKUHLOPR-SJKOYZFVSA-N	1	0	357.370	1.406	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)c(F)c1	ZINC000576688904	550575590	/nfs/dbraw/zinc/57/55/90/550575590.db2.gz	TVAQHMAICCBJSC-BRWVUGGUSA-N	1	0	371.460	1.917	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NCc1cccc(NC(=O)c2cccnc2)c1	ZINC000577218238	550633703	/nfs/dbraw/zinc/63/37/03/550633703.db2.gz	QAUZLJMGBHCKGI-KRWDZBQOSA-N	1	0	351.410	1.971	20	30		FDEDRO
CN1CCO[C@H](CN(CC2CC2)C(=O)NCC#Cc2cccc(F)c2)C1	ZINC000577233011	550635282	/nfs/dbraw/zinc/63/52/82/550635282.db2.gz	AOENUDXCTAWXAX-IBGZPJMESA-N	1	0	359.445	1.929	20	30		FDEDRO
CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000577253560	550637068	/nfs/dbraw/zinc/63/70/68/550637068.db2.gz	MMURPEPVEKHMLG-INIZCTEOSA-N	1	0	358.490	1.905	20	30		FDEDRO
CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000577607131	550674931	/nfs/dbraw/zinc/67/49/31/550674931.db2.gz	SCZJJRQBNUEREU-MRXNPFEDSA-N	1	0	357.458	1.015	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@]2(c3ccccc3)CCC(=O)NC2)CC1	ZINC000577863171	550703084	/nfs/dbraw/zinc/70/30/84/550703084.db2.gz	ULVRXRSILIFHMV-OAQYLSRUSA-N	1	0	355.482	1.991	20	30		FDEDRO
C=CCC[C@@H](CO)NC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000578038317	550721852	/nfs/dbraw/zinc/72/18/52/550721852.db2.gz	QLNUGODTHCJPMM-RBUKOAKNSA-N	1	0	360.502	1.601	20	30		FDEDRO
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NC[C@@H]2C[NH2+]CCCO2)n1	ZINC000578967984	550820015	/nfs/dbraw/zinc/82/00/15/550820015.db2.gz	DHYGXSBUKMANGE-AWEZNQCLSA-N	1	0	374.832	1.897	20	30		FDEDRO
C[C@@]1(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCC[NH2+]C1	ZINC000579098138	550835328	/nfs/dbraw/zinc/83/53/28/550835328.db2.gz	FPHHZVGVIIDPIT-YLJYHZDGSA-N	1	0	369.469	1.348	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](C(=O)NCCN3C[C@H]4CC[C@@H](C3)O4)C2)c(F)c1	ZINC000579679737	550898094	/nfs/dbraw/zinc/89/80/94/550898094.db2.gz	VGQBFSLDPMVSRQ-ZACQAIPSSA-N	1	0	372.444	1.503	20	30		FDEDRO
CC[NH2+]CCCNC(=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1	ZINC000580413855	550979488	/nfs/dbraw/zinc/97/94/88/550979488.db2.gz	PWOIJAAMBRTOEE-UHFFFAOYSA-N	1	0	364.449	1.957	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1	ZINC000580564154	550995828	/nfs/dbraw/zinc/99/58/28/550995828.db2.gz	MOWWNQMIYIWMSU-GWCFXTLKSA-N	1	0	370.272	1.693	20	30		FDEDRO
CC(C)[N@H+](C)CCNS(=O)(=O)c1cccc(Br)c1C#N	ZINC000580779146	551017970	/nfs/dbraw/zinc/01/79/70/551017970.db2.gz	YEFVEHMTWYHBFG-UHFFFAOYSA-N	1	0	360.277	1.939	20	30		FDEDRO
Cc1ccc(C[C@@H](CO)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1C	ZINC000581011962	551043108	/nfs/dbraw/zinc/04/31/08/551043108.db2.gz	SYLWKXXONPUCAI-SFHVURJKSA-N	1	0	373.478	1.537	20	30		FDEDRO
C[NH+]1CCN(CCOc2ccc(NC(=O)c3cnccc3C#N)cc2)CC1	ZINC000581030955	551044930	/nfs/dbraw/zinc/04/49/30/551044930.db2.gz	AIRSFWYWJFHUQE-UHFFFAOYSA-N	1	0	365.437	1.832	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)n1	ZINC000581181329	551060904	/nfs/dbraw/zinc/06/09/04/551060904.db2.gz	LKTOWJPKGULFPJ-HRCADAONSA-N	1	0	354.458	1.173	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)n1	ZINC000581181328	551060947	/nfs/dbraw/zinc/06/09/47/551060947.db2.gz	LKTOWJPKGULFPJ-BZUAXINKSA-N	1	0	354.458	1.173	20	30		FDEDRO
C[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@]1(C)C[NH3+]	ZINC000581478328	551092967	/nfs/dbraw/zinc/09/29/67/551092967.db2.gz	DORRUYQOKUQIAA-WIBUTAKZSA-N	1	0	369.469	1.285	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2c(F)cccc2C#N)CC1	ZINC000581479893	551093296	/nfs/dbraw/zinc/09/32/96/551093296.db2.gz	MOFFXTKDGIPDCG-KRWDZBQOSA-N	1	0	358.417	1.005	20	30		FDEDRO
CCC[C@H](C)C(=O)NCC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1	ZINC000581939149	551152497	/nfs/dbraw/zinc/15/24/97/551152497.db2.gz	MXKZOKHJPXSCTH-AWEZNQCLSA-N	1	0	351.472	1.474	20	30		FDEDRO
Cn1nccc1N1CCC[C@@H]([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000582176918	551186567	/nfs/dbraw/zinc/18/65/67/551186567.db2.gz	RURLSQDNSNBGDM-MSOLQXFVSA-N	1	0	369.469	1.484	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC3CCC2(C[NH3+])CC3)c1	ZINC000582496693	551232786	/nfs/dbraw/zinc/23/27/86/551232786.db2.gz	IGWBPYBVNOGBOW-UHFFFAOYSA-N	1	0	363.483	1.494	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC(CO)([NH2+]CC2CC2)CC1	ZINC000583148907	551310565	/nfs/dbraw/zinc/31/05/65/551310565.db2.gz	TXRMINQQLLMVKP-CRAIPNDOSA-N	1	0	350.507	1.256	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@H]32)CC1	ZINC000583228811	551321958	/nfs/dbraw/zinc/32/19/58/551321958.db2.gz	KLLQWGLMIILBNU-BHIYHBOVSA-N	1	0	362.518	1.973	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@H+](Cc1ccccc1)C[C@@]1(O)CCO[C@@H]1C	ZINC000583361904	551339926	/nfs/dbraw/zinc/33/99/26/551339926.db2.gz	PCULIPJKADCBEL-XLIONFOSSA-N	1	0	359.470	1.791	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[NH2+]CC1(S(C)(=O)=O)CCC1	ZINC000583560514	551369030	/nfs/dbraw/zinc/36/90/30/551369030.db2.gz	PVCZXTIPEZDMPI-INIZCTEOSA-N	1	0	353.484	1.712	20	30		FDEDRO
COC[C@@H](C)OC[C@H](O)C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000583929334	551421804	/nfs/dbraw/zinc/42/18/04/551421804.db2.gz	CQDZQDDLCUHQCQ-CCGTUFIJSA-N	1	0	363.458	1.645	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2COc3ccc(F)cc3C2)nc1	ZINC000584227938	551466979	/nfs/dbraw/zinc/46/69/79/551466979.db2.gz	SPSSQYIHJNEFKP-HNNXBMFYSA-N	1	0	361.398	1.459	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccc(C#N)cc1	ZINC000584460279	551500619	/nfs/dbraw/zinc/50/06/19/551500619.db2.gz	VIWCWQASGSEGAX-MAUKXSAKSA-N	1	0	368.481	1.926	20	30		FDEDRO
C[NH+](C)CCn1ccc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)n1	ZINC000584477894	551503477	/nfs/dbraw/zinc/50/34/77/551503477.db2.gz	AJNLNZOISMJTDS-IBGZPJMESA-N	1	0	366.469	1.467	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)C(=O)N3CCC[C@H](C[NH3+])C3)CC2)cc1	ZINC000584714959	551535071	/nfs/dbraw/zinc/53/50/71/551535071.db2.gz	UZOWSKYIDUTQRF-MRXNPFEDSA-N	1	0	370.453	1.125	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCCOC2CCCCC2)CC1	ZINC000584734448	551539621	/nfs/dbraw/zinc/53/96/21/551539621.db2.gz	WOJVHJSLXGWUSR-UHFFFAOYSA-N	1	0	351.491	1.609	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+]CCCN3CCCS3(=O)=O)CC2)cc1	ZINC000586790852	551619510	/nfs/dbraw/zinc/61/95/10/551619510.db2.gz	RBALWMJEZQSUQM-UHFFFAOYSA-N	1	0	362.499	1.542	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1cscn1	ZINC000586845649	551625039	/nfs/dbraw/zinc/62/50/39/551625039.db2.gz	RIRXUHQGXBPIAF-UHFFFAOYSA-N	1	0	371.466	1.221	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)c(F)c1	ZINC000586861227	551627306	/nfs/dbraw/zinc/62/73/06/551627306.db2.gz	YIBZXYXZDAARCS-UHFFFAOYSA-N	1	0	358.417	1.447	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)c1cccc(C#N)c1	ZINC000587727635	551635031	/nfs/dbraw/zinc/63/50/31/551635031.db2.gz	COJUKUSVWFVJRD-HNNXBMFYSA-N	1	0	356.470	1.974	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1)c1cccc(C#N)c1	ZINC000587720500	551635235	/nfs/dbraw/zinc/63/52/35/551635235.db2.gz	VEVUKRCIFBEOAD-HNNXBMFYSA-N	1	0	368.437	1.919	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1cccc(C#N)c1	ZINC000587732200	551635517	/nfs/dbraw/zinc/63/55/17/551635517.db2.gz	RWINDCGJZMZRME-CRAIPNDOSA-N	1	0	354.454	1.822	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NCCC3CC[NH+](C)CC3)cc2C1=O	ZINC000588644544	551672570	/nfs/dbraw/zinc/67/25/70/551672570.db2.gz	QBIGZPUNRRBUFY-UHFFFAOYSA-N	1	0	355.438	1.930	20	30		FDEDRO
Cc1nccc([C@H]2CCCN(CCS(=O)(=O)c3ccc(C#N)cn3)C2)n1	ZINC000588957448	551700777	/nfs/dbraw/zinc/70/07/77/551700777.db2.gz	VFPSYOQHTPRSLW-INIZCTEOSA-N	1	0	371.466	1.705	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H]([NH+]4CCCC4)C3)cc2C1=O	ZINC000589143816	551712895	/nfs/dbraw/zinc/71/28/95/551712895.db2.gz	PGIIKKADHHFCDH-HNNXBMFYSA-N	1	0	353.422	1.779	20	30		FDEDRO
N#Cc1cncc(S(=O)(=O)N2CCC(CC[NH+]3CCOCC3)CC2)c1	ZINC000589278441	551722379	/nfs/dbraw/zinc/72/23/79/551722379.db2.gz	XGJRRJQGKSVLHQ-UHFFFAOYSA-N	1	0	364.471	1.076	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC2)c1C#N	ZINC000589621714	551738740	/nfs/dbraw/zinc/73/87/40/551738740.db2.gz	XPGJIFIPPGXWOS-AWEZNQCLSA-N	1	0	361.494	1.161	20	30		FDEDRO
CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000589630479	551739640	/nfs/dbraw/zinc/73/96/40/551739640.db2.gz	DAPLOVVJTMWDEW-CQSZACIVSA-N	1	0	374.489	1.984	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2	ZINC000590355291	551775484	/nfs/dbraw/zinc/77/54/84/551775484.db2.gz	PEJCVVCNXWFPOS-HKUYNNGSSA-N	1	0	356.470	1.468	20	30		FDEDRO
C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000590403921	551780886	/nfs/dbraw/zinc/78/08/86/551780886.db2.gz	QBSFPZXKIXZSTK-XJKSGUPXSA-N	1	0	364.471	1.043	20	30		FDEDRO
N#Cc1cccc(OCCCCC(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)c1	ZINC000590549695	551790872	/nfs/dbraw/zinc/79/08/72/551790872.db2.gz	NTOLXYQWCVBKPD-QZTJIDSGSA-N	1	0	357.454	1.775	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(C(=O)COc3ccc(C#N)c(Br)c3)[C@@H]2C1	ZINC000590765371	551814667	/nfs/dbraw/zinc/81/46/67/551814667.db2.gz	SGRNNIALKSXZQU-IUODEOHRSA-N	1	0	364.243	1.862	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)cc1	ZINC000590767959	551814940	/nfs/dbraw/zinc/81/49/40/551814940.db2.gz	UAINJHGCBLLLLG-PKOBYXMFSA-N	1	0	356.470	1.490	20	30		FDEDRO
N#Cc1ccc(CNC(=O)NC[C@H]2CCCC[N@H+]2CCO)cc1Cl	ZINC000590941070	551828362	/nfs/dbraw/zinc/82/83/62/551828362.db2.gz	DCBRUHJMTUGIDF-OAHLLOKOSA-N	1	0	350.850	1.858	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cc1Cl	ZINC000590941164	551828622	/nfs/dbraw/zinc/82/86/22/551828622.db2.gz	MJNJBJCMWJCLNM-OAHLLOKOSA-N	1	0	350.850	1.858	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]3COC[C@@H]32)CC1	ZINC000590971806	551831366	/nfs/dbraw/zinc/83/13/66/551831366.db2.gz	NMPNQBACBJDJJF-ZACQAIPSSA-N	1	0	374.510	1.568	20	30		FDEDRO
C[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)C(C)(C)CN1CCOCC1	ZINC000591061077	551840706	/nfs/dbraw/zinc/84/07/06/551840706.db2.gz	SBPPQKPBRVVFGN-GOSISDBHSA-N	1	0	361.486	1.535	20	30		FDEDRO
CC[NH2+]CCCNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	ZINC000591290169	551856991	/nfs/dbraw/zinc/85/69/91/551856991.db2.gz	GIBGGYTYFMRDHM-UHFFFAOYSA-N	1	0	367.409	1.800	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)cc1C(F)(F)F	ZINC000591292314	551857142	/nfs/dbraw/zinc/85/71/42/551857142.db2.gz	JLNICMYJWNXHMB-LBPRGKRZSA-N	1	0	354.332	1.774	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CCO1	ZINC000591297775	551857940	/nfs/dbraw/zinc/85/79/40/551857940.db2.gz	SPODLKPJKLQZGD-ABAIWWIYSA-N	1	0	374.832	1.977	20	30		FDEDRO
CC[C@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC[C@H]1[NH3+]	ZINC000591304380	551859425	/nfs/dbraw/zinc/85/94/25/551859425.db2.gz	WGXWPWFWDYUMFA-NWDGAFQWSA-N	1	0	366.368	1.684	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c1	ZINC000591304534	551859483	/nfs/dbraw/zinc/85/94/83/551859483.db2.gz	IUWNOPBCNPLHKA-YOEHRIQHSA-N	1	0	356.426	1.518	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c1	ZINC000591304759	551859605	/nfs/dbraw/zinc/85/96/05/551859605.db2.gz	NRAGGCHEAQYIMQ-DGCLKSJQSA-N	1	0	364.352	1.309	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1	ZINC000591309173	551860295	/nfs/dbraw/zinc/86/02/95/551860295.db2.gz	ZPAUBJRWNQDGFH-CABCVRRESA-N	1	0	356.426	1.353	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1	ZINC000591308471	551860375	/nfs/dbraw/zinc/86/03/75/551860375.db2.gz	VQSBVEZBEXMRDN-HOTGVXAUSA-N	1	0	370.453	1.744	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)CC2)nc1	ZINC000591350587	551864983	/nfs/dbraw/zinc/86/49/83/551864983.db2.gz	RWYNOZOXIHGIMO-WKILWMFISA-N	1	0	370.501	1.986	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])CC2)nc1	ZINC000591350624	551865064	/nfs/dbraw/zinc/86/50/64/551865064.db2.gz	ZMJRGTKQLQOWLA-NVXWUHKLSA-N	1	0	356.474	1.739	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)c(F)c1	ZINC000591388861	551867273	/nfs/dbraw/zinc/86/72/73/551867273.db2.gz	OCPRTJGLFRBART-WMZOPIPTSA-N	1	0	372.444	1.694	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)c(F)c1	ZINC000591388434	551867308	/nfs/dbraw/zinc/86/73/08/551867308.db2.gz	WRAGMXMMLNUPGQ-UHFFFAOYSA-N	1	0	358.417	1.304	20	30		FDEDRO
Cc1c(C(=O)N[C@@H]2CC[C@H](C#N)C2)nnn1-c1cccc2c1CC[N@@H+](C)C2	ZINC000591797682	551908783	/nfs/dbraw/zinc/90/87/83/551908783.db2.gz	GRRISQNELDTMJZ-GOEBONIOSA-N	1	0	364.453	1.986	20	30		FDEDRO
CC[C@H](CNC(=O)N1CC[C@](O)(CC#N)C1)[N@@H+]1CCc2ccccc2C1	ZINC000591913081	551916133	/nfs/dbraw/zinc/91/61/33/551916133.db2.gz	UGRNXYVTSWYAHE-UYAOXDASSA-N	1	0	356.470	1.883	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1ccc(C#N)cc1F)CCO2	ZINC000592102938	551941873	/nfs/dbraw/zinc/94/18/73/551941873.db2.gz	DJLBMAYCKAZMGX-UHFFFAOYSA-N	1	0	353.419	1.183	20	30		FDEDRO
N#CC[C@]1(O)CC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C1	ZINC000592150215	551949957	/nfs/dbraw/zinc/94/99/57/551949957.db2.gz	BDBKNOIWSNPRAW-INIZCTEOSA-N	1	0	350.806	1.118	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](C(=O)NCc2ccccc2)C1	ZINC000592155585	551951507	/nfs/dbraw/zinc/95/15/07/551951507.db2.gz	PQZXKPLGURDBMH-WMZOPIPTSA-N	1	0	356.470	1.633	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN(CC(=O)N(CCC#N)c1ccccc1)CCO2	ZINC000592182700	551954732	/nfs/dbraw/zinc/95/47/32/551954732.db2.gz	PLKHZVYQGUKWJD-UHFFFAOYSA-N	1	0	356.470	1.730	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)NCc3ccc(C[NH3+])cc3)CC2)n1	ZINC000592220688	551962394	/nfs/dbraw/zinc/96/23/94/551962394.db2.gz	OGPDWABTVJESSM-UHFFFAOYSA-N	1	0	350.426	1.444	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C	ZINC000592222581	551962651	/nfs/dbraw/zinc/96/26/51/551962651.db2.gz	LINOBAUIIRXXKO-CYBMUJFWSA-N	1	0	359.430	1.541	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)NC[C@@H]1C[C@H](F)C[NH2+]1	ZINC000592389725	551988207	/nfs/dbraw/zinc/98/82/07/551988207.db2.gz	AFJQVISFAXADQH-IUCAKERBSA-N	1	0	362.224	1.299	20	30		FDEDRO
C=CCc1cc(C(=O)N2CCC[NH2+]C[C@@H]2C(=O)OC)cc(OC)c1OC	ZINC000592547313	552007015	/nfs/dbraw/zinc/00/70/15/552007015.db2.gz	FKHCPWKBLSSFPN-OAHLLOKOSA-N	1	0	362.426	1.409	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN(C(=O)[C@H](C#N)Cc1ccc(C#N)cc1)CCO2	ZINC000592898574	552040303	/nfs/dbraw/zinc/04/03/03/552040303.db2.gz	IANYLJSMQOBQHR-SFHVURJKSA-N	1	0	352.438	1.564	20	30		FDEDRO
CC[N@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@@H]1CCCOC1	ZINC000593066771	552057690	/nfs/dbraw/zinc/05/76/90/552057690.db2.gz	DOTPZKSJLUWWEP-OAHLLOKOSA-N	1	0	361.446	1.004	20	30		FDEDRO
COC(=O)[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C[C@H]1C1CC1	ZINC000593127565	552065554	/nfs/dbraw/zinc/06/55/54/552065554.db2.gz	ZWHRRMZNUBXZHF-NZSAHSFTSA-N	1	0	358.438	1.623	20	30		FDEDRO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1	ZINC000593234656	552075565	/nfs/dbraw/zinc/07/55/65/552075565.db2.gz	LEWYQIKPCHQWDG-LJQANCHMSA-N	1	0	372.469	1.194	20	30		FDEDRO
COC[C@](C)(O)CCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593408484	552104254	/nfs/dbraw/zinc/10/42/54/552104254.db2.gz	FDKHIWOUOGHQAU-HXUWFJFHSA-N	1	0	374.485	1.609	20	30		FDEDRO
COCCOCCN(C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593515554	552120516	/nfs/dbraw/zinc/12/05/16/552120516.db2.gz	KKFACKBLYCFZSY-UHFFFAOYSA-N	1	0	374.485	1.827	20	30		FDEDRO
C[C@@H](O)[C@@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCO1	ZINC000593518857	552121635	/nfs/dbraw/zinc/12/16/35/552121635.db2.gz	XNJPQJGCHADGPS-BEFAXECRSA-N	1	0	372.469	1.314	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@H]1CCC[N@@H+](C(C)C)C1	ZINC000593579225	552142058	/nfs/dbraw/zinc/14/20/58/552142058.db2.gz	VUSSRXDDHGRDKI-AWEZNQCLSA-N	1	0	365.455	1.496	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)NC(C)(C)C[NH+]1CCCC1	ZINC000593606327	552150390	/nfs/dbraw/zinc/15/03/90/552150390.db2.gz	QRTKDOSIYNKXBB-UHFFFAOYSA-N	1	0	365.455	1.498	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1C	ZINC000593608516	552150658	/nfs/dbraw/zinc/15/06/58/552150658.db2.gz	KJLJOVWBYTXZEB-ZDUSSCGKSA-N	1	0	351.428	1.060	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)[C@H](C)CN1CCO	ZINC000593609230	552151151	/nfs/dbraw/zinc/15/11/51/552151151.db2.gz	SGRIUUISYORHPB-HUUCEWRRSA-N	1	0	365.499	1.563	20	30		FDEDRO
COC(=O)[C@@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)C[C@H]1c1ccccc1	ZINC000593681270	552172293	/nfs/dbraw/zinc/17/22/93/552172293.db2.gz	DDWAHVVCEHZCJP-ZWKOTPCHSA-N	1	0	361.405	1.990	20	30		FDEDRO
N#CCCn1cc(C[NH2+]CC[C@]2(O)CCCOC2)c(-c2ccncc2)n1	ZINC000593688353	552174272	/nfs/dbraw/zinc/17/42/72/552174272.db2.gz	OXDMPMLCKQZWCF-LJQANCHMSA-N	1	0	355.442	1.880	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)NCCC3CC[NH2+]CC3)C2=O)cc1	ZINC000593707892	552178746	/nfs/dbraw/zinc/17/87/46/552178746.db2.gz	JDJPWUQAHKJDID-GOSISDBHSA-N	1	0	369.469	1.743	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)NCc2ccc(C[NH3+])cc2F)CC1	ZINC000593722297	552182749	/nfs/dbraw/zinc/18/27/49/552182749.db2.gz	NHIYAWQLCJVKEU-UHFFFAOYSA-N	1	0	368.416	1.583	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)NCc3ccc(C[NH3+])cc3F)CC2)n1	ZINC000593724590	552183085	/nfs/dbraw/zinc/18/30/85/552183085.db2.gz	VJEUDOQIEGVHFY-UHFFFAOYSA-N	1	0	368.416	1.583	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000593733303	552186357	/nfs/dbraw/zinc/18/63/57/552186357.db2.gz	DWFQGKLSFVROAU-ULQDDVLXSA-N	1	0	363.483	1.774	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1	ZINC000593732914	552186378	/nfs/dbraw/zinc/18/63/78/552186378.db2.gz	RHEMKBUMTDVTGJ-BBWFWOEESA-N	1	0	363.483	1.916	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1C#N	ZINC000593767736	552194515	/nfs/dbraw/zinc/19/45/15/552194515.db2.gz	SZCMUNVYQWTNEN-DAYGRLMNSA-N	1	0	370.453	1.550	20	30		FDEDRO
C[NH2+]Cc1ccccc1CNC(=O)C(=O)N(C)Cc1ccc(C#N)cc1	ZINC000593774260	552195573	/nfs/dbraw/zinc/19/55/73/552195573.db2.gz	AWPSUOQRANSWKJ-UHFFFAOYSA-N	1	0	350.422	1.552	20	30		FDEDRO
C[NH+](C)CCn1ccc(=NC(=O)NC2(c3ccc(C#N)cc3)CCC2)[nH]1	ZINC000594072353	552246027	/nfs/dbraw/zinc/24/60/27/552246027.db2.gz	NDPHLVPXCSGWQT-UHFFFAOYSA-N	1	0	352.442	2.517	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)c1	ZINC000594284226	552278064	/nfs/dbraw/zinc/27/80/64/552278064.db2.gz	WYXANBGRTTZEED-MSOLQXFVSA-N	1	0	368.485	1.802	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1	ZINC000594291160	552279737	/nfs/dbraw/zinc/27/97/37/552279737.db2.gz	MCZVRWRZCMYUAO-MRXNPFEDSA-N	1	0	370.497	1.653	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1)N1C[C@@H](C)O[C@@H](C)C1	ZINC000594311649	552284901	/nfs/dbraw/zinc/28/49/01/552284901.db2.gz	INQRUSBNBADNAB-RWMBFGLXSA-N	1	0	362.405	1.250	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1	ZINC000594362214	552295578	/nfs/dbraw/zinc/29/55/78/552295578.db2.gz	DOQHXNYQPOBXMV-KXBFYZLASA-N	1	0	368.481	1.548	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1	ZINC000594362212	552295671	/nfs/dbraw/zinc/29/56/71/552295671.db2.gz	DOQHXNYQPOBXMV-DNVCBOLYSA-N	1	0	368.481	1.548	20	30		FDEDRO
Cc1ccc(NC(=O)C2CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC2)nc1	ZINC000594441617	552310966	/nfs/dbraw/zinc/31/09/66/552310966.db2.gz	TYFPTKDUMUOOLF-INIZCTEOSA-N	1	0	357.458	1.978	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1	ZINC000594440660	552311030	/nfs/dbraw/zinc/31/10/30/552311030.db2.gz	HKVRRIUANUYLEV-KRWDZBQOSA-N	1	0	373.457	1.307	20	30		FDEDRO
CC(C)(C#N)c1ccc(C[NH2+]CCN2CCN(S(C)(=O)=O)CC2)cc1	ZINC000594498804	552326434	/nfs/dbraw/zinc/32/64/34/552326434.db2.gz	LMPALKLMVIXCIR-UHFFFAOYSA-N	1	0	364.515	1.155	20	30		FDEDRO
Cn1nnc2c1CC[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)C2	ZINC000594517111	552326990	/nfs/dbraw/zinc/32/69/90/552326990.db2.gz	VHMDHHINYJVUNH-INIZCTEOSA-N	1	0	362.441	1.634	20	30		FDEDRO
N#Cc1cnc2ccc(OC(F)F)cc2c1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000594601482	552339562	/nfs/dbraw/zinc/33/95/62/552339562.db2.gz	BOPYUCNBHOLTMJ-QWHCGFSZSA-N	1	0	360.364	1.963	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccncc3)CC2)cn1	ZINC000594829801	552400807	/nfs/dbraw/zinc/40/08/07/552400807.db2.gz	OXCVUNYLOPJPBA-UHFFFAOYSA-N	1	0	371.466	1.539	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NCC2CC[NH+](C3CCOCC3)CC2)cc1	ZINC000595066650	552444020	/nfs/dbraw/zinc/44/40/20/552444020.db2.gz	BFFIGPWEKJCBFL-UHFFFAOYSA-N	1	0	370.453	1.504	20	30		FDEDRO
C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000595106714	552452632	/nfs/dbraw/zinc/45/26/32/552452632.db2.gz	JYUQTYCIUMBAQU-ZDUSSCGKSA-N	1	0	363.437	1.024	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1	ZINC000595121326	552457987	/nfs/dbraw/zinc/45/79/87/552457987.db2.gz	WVVAAOFMGZJJMT-LLVKDONJSA-N	1	0	350.400	1.419	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCN1C[C@@H](C)OC[C@H]1C	ZINC000595125709	552459197	/nfs/dbraw/zinc/45/91/97/552459197.db2.gz	KPUXHUYBAZEXEK-ZIAGYGMSSA-N	1	0	374.441	1.121	20	30		FDEDRO
CCN(C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@@H]1CC[N@H+](CC)C1	ZINC000595130622	552461206	/nfs/dbraw/zinc/46/12/06/552461206.db2.gz	KMVFCVDMCOVOIY-OAHLLOKOSA-N	1	0	359.474	1.996	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N1CC[C@](C)(C#N)C1	ZINC000595163344	552473440	/nfs/dbraw/zinc/47/34/40/552473440.db2.gz	JVUOJXHQDCHQQI-LAUBAEHRSA-N	1	0	368.481	1.872	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1	ZINC000595228408	552498173	/nfs/dbraw/zinc/49/81/73/552498173.db2.gz	FCEAUWWEYCMOJP-UHFFFAOYSA-N	1	0	370.453	1.744	20	30		FDEDRO
CC(C)[C@H]([NH3+])CCNC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1	ZINC000595231909	552499399	/nfs/dbraw/zinc/49/93/99/552499399.db2.gz	HOJWXTRZCXQBMS-SWLSCSKDSA-N	1	0	352.460	1.867	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)Nc2cccc(CC#N)c2)CCO1	ZINC000595237275	552501581	/nfs/dbraw/zinc/50/15/81/552501581.db2.gz	XHXLPMKNAFDUQR-KRWDZBQOSA-N	1	0	358.442	1.260	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1	ZINC000595240081	552502252	/nfs/dbraw/zinc/50/22/52/552502252.db2.gz	MYUSZRLWCMSGML-AWEZNQCLSA-N	1	0	358.417	1.874	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NCC34CC(C3)C[NH2+]4)CC2)c(Cl)c1	ZINC000595273276	552509472	/nfs/dbraw/zinc/50/94/72/552509472.db2.gz	LALUZWUPZDLDNR-UHFFFAOYSA-N	1	0	359.861	1.795	20	30		FDEDRO
C[NH2+]C[C@@H](C)NC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N	ZINC000595275020	552509819	/nfs/dbraw/zinc/50/98/19/552509819.db2.gz	DNTFLFKMHUGDMO-GFCCVEGCSA-N	1	0	373.436	1.305	20	30		FDEDRO
COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](CC#N)C2)c(OC)c1	ZINC000595609931	552592177	/nfs/dbraw/zinc/59/21/77/552592177.db2.gz	QJYVLSKCYZEXRC-GOEBONIOSA-N	1	0	362.426	1.847	20	30		FDEDRO
CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000595633280	552595708	/nfs/dbraw/zinc/59/57/08/552595708.db2.gz	OSLPOLFUMIHCTN-LZLYRXPVSA-N	1	0	366.483	1.488	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1	ZINC000595705978	552604892	/nfs/dbraw/zinc/60/48/92/552604892.db2.gz	ZDOREIRYJCKESQ-MRXNPFEDSA-N	1	0	356.474	1.658	20	30		FDEDRO
C[C@@H](O)[C@H]1CCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000595765878	552612896	/nfs/dbraw/zinc/61/28/96/552612896.db2.gz	KQMKQEBTVGOFBB-LZQZEXGQSA-N	1	0	374.460	1.380	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000595806970	552618046	/nfs/dbraw/zinc/61/80/46/552618046.db2.gz	NPMULKKKMGZJJV-AEFFLSMTSA-N	1	0	369.469	1.837	20	30		FDEDRO
N#Cc1ccsc1NC(=O)CC[N@H+](CCN1CCOCC1)CC1CC1	ZINC000595806703	552618198	/nfs/dbraw/zinc/61/81/98/552618198.db2.gz	FJHAYLPLXRPABG-UHFFFAOYSA-N	1	0	362.499	1.993	20	30		FDEDRO
CCOC(=O)CC1([NH2+]CCC(=O)Nc2ccc(C#N)cc2)CCOCC1	ZINC000595876879	552627484	/nfs/dbraw/zinc/62/74/84/552627484.db2.gz	HFPKLTFJYLGFKK-UHFFFAOYSA-N	1	0	359.426	1.979	20	30		FDEDRO
CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CCN(c2ccsc2C#N)CC1	ZINC000595936507	552635621	/nfs/dbraw/zinc/63/56/21/552635621.db2.gz	ASUZETBXJXNELB-URKNILKWSA-N	1	0	374.510	1.801	20	30		FDEDRO
C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595969434	552639883	/nfs/dbraw/zinc/63/98/83/552639883.db2.gz	FOMRPLUCBYMRNS-WMLDXEAASA-N	1	0	364.453	1.595	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CCN(C(=O)[C@@H]([NH3+])CC(F)F)CC3)n[nH]2)cc1	ZINC000595969384	552639936	/nfs/dbraw/zinc/63/99/36/552639936.db2.gz	FCSLVPWDZHYBPL-AWEZNQCLSA-N	1	0	374.395	1.579	20	30		FDEDRO
C[C@]1(C#N)CCN(C(=O)C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)C1	ZINC000595984947	552641337	/nfs/dbraw/zinc/64/13/37/552641337.db2.gz	YLLWENKQBOEASJ-JTDSTZFVSA-N	1	0	358.417	1.231	20	30		FDEDRO
COc1cc(CNC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)ccc1C#N	ZINC000596606153	552693685	/nfs/dbraw/zinc/69/36/85/552693685.db2.gz	YKPVJEDDFVYDRC-SFHVURJKSA-N	1	0	372.469	1.963	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000596674066	552699993	/nfs/dbraw/zinc/69/99/93/552699993.db2.gz	XOQHNQXAQDRQGQ-GOSISDBHSA-N	1	0	369.469	1.049	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)c3cc(F)c(C#N)c(F)c3)cn2)CC1	ZINC000596703154	552703239	/nfs/dbraw/zinc/70/32/39/552703239.db2.gz	FHGYPJVYTZLTFZ-UHFFFAOYSA-N	1	0	371.391	1.913	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnc(C2CC2)nc1N	ZINC000596827251	552715219	/nfs/dbraw/zinc/71/52/19/552715219.db2.gz	BFOHYYVIQMDWRI-UHFFFAOYSA-N	1	0	364.453	2.012	20	30		FDEDRO
Cc1cc(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(C#N)cc1N(C)C	ZINC000596910673	552723833	/nfs/dbraw/zinc/72/38/33/552723833.db2.gz	VTQSSSTYXLTGMP-QGZVFWFLSA-N	1	0	371.485	1.996	20	30		FDEDRO
N#Cc1cccc(NC(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)n1	ZINC000596932603	552725549	/nfs/dbraw/zinc/72/55/49/552725549.db2.gz	BBQPOIBQQMCHPJ-QGZVFWFLSA-N	1	0	351.410	1.842	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)CC2(C#N)CCOCC2)CC1	ZINC000596948489	552727803	/nfs/dbraw/zinc/72/78/03/552727803.db2.gz	IWXMHKZBORPHSU-UHFFFAOYSA-N	1	0	357.458	1.160	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000597218592	552762123	/nfs/dbraw/zinc/76/21/23/552762123.db2.gz	XYOIOQUYZOKAEW-OWCLPIDISA-N	1	0	355.548	1.895	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc(F)c(C#N)c(F)c2)CC1	ZINC000597229212	552763438	/nfs/dbraw/zinc/76/34/38/552763438.db2.gz	ZCTKFEXDPBYVLA-CYBMUJFWSA-N	1	0	350.413	1.840	20	30		FDEDRO
C[C@H](C#N)CN(C)c1nnc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1C[C@@H]1CCOC1	ZINC000597365664	552780229	/nfs/dbraw/zinc/78/02/29/552780229.db2.gz	AORBHGHIMKMUNG-TWMKSMIVSA-N	1	0	374.489	1.446	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CCCCC1	ZINC000597399926	552784341	/nfs/dbraw/zinc/78/43/41/552784341.db2.gz	SHEZJWKNFHJURE-UHFFFAOYSA-N	1	0	360.502	1.815	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)CC2(C#N)CCCCC2)(N2CCOCC2)CC1	ZINC000597771978	552830725	/nfs/dbraw/zinc/83/07/25/552830725.db2.gz	APXSRHFHXQRDOC-UHFFFAOYSA-N	1	0	362.518	1.763	20	30		FDEDRO
C[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1)n1cnc(C#N)n1	ZINC000598195952	552875114	/nfs/dbraw/zinc/87/51/14/552875114.db2.gz	XSCJEWSRUYFBOJ-DOTOQJQBSA-N	1	0	352.442	1.486	20	30		FDEDRO
CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)C[C@H](O)CC(C)(C)C#N)C1	ZINC000598589579	552912107	/nfs/dbraw/zinc/91/21/07/552912107.db2.gz	JOXXKBVNJDSENP-LSDHHAIUSA-N	1	0	353.463	1.021	20	30		FDEDRO
COCCNS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)cc1	ZINC000598715807	552927814	/nfs/dbraw/zinc/92/78/14/552927814.db2.gz	UAAHNOANSHAPLW-OAHLLOKOSA-N	1	0	369.487	1.002	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000598720634	552927886	/nfs/dbraw/zinc/92/78/86/552927886.db2.gz	QHRGPJPSWFYUOT-MOPGFXCFSA-N	1	0	372.513	1.774	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[NH2+]CCN1CCN(C(=O)C2CCCCC2)CC1	ZINC000598718083	552928075	/nfs/dbraw/zinc/92/80/75/552928075.db2.gz	CFAZTWYIKRXPKW-GOSISDBHSA-N	1	0	364.534	1.601	20	30		FDEDRO
COc1cc(OC)cc(N2CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C2=O)c1	ZINC000598722281	552928256	/nfs/dbraw/zinc/92/82/56/552928256.db2.gz	ZUYPJMYQOPGYFC-YOEHRIQHSA-N	1	0	361.442	1.699	20	30		FDEDRO
COCC[N@H+](C)CCN1C[C@H](NC(=O)CC2(C#N)CCCCC2)CC1=O	ZINC000598735464	552929129	/nfs/dbraw/zinc/92/91/29/552929129.db2.gz	MABSKZQRBXFDCQ-MRXNPFEDSA-N	1	0	364.490	1.146	20	30		FDEDRO
N#Cc1cccc(CS(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1	ZINC000599101726	552967751	/nfs/dbraw/zinc/96/77/51/552967751.db2.gz	OQDXXSVTWHFEQW-KBPBESRZSA-N	1	0	361.389	1.847	20	30		FDEDRO
C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)C[NH2+]1	ZINC000599106095	552968319	/nfs/dbraw/zinc/96/83/19/552968319.db2.gz	RTNCFUXJENBHJN-KOLCDFICSA-N	1	0	358.261	1.740	20	30		FDEDRO
C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)C[NH2+]1	ZINC000599106097	552968476	/nfs/dbraw/zinc/96/84/76/552968476.db2.gz	RTNCFUXJENBHJN-ONGXEEELSA-N	1	0	358.261	1.740	20	30		FDEDRO
C[NH+]1CCN(c2cc(-c3noc(Cc4ccc(C#N)nc4)n3)ccn2)CC1	ZINC000599170030	552978430	/nfs/dbraw/zinc/97/84/30/552978430.db2.gz	XUMQSBWXZTVWKE-UHFFFAOYSA-N	1	0	361.409	1.741	20	30		FDEDRO
CN(C)C(=O)C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1ccccc1	ZINC000599349110	553034226	/nfs/dbraw/zinc/03/42/26/553034226.db2.gz	KOQHYBIWSYZIPY-ZWKOTPCHSA-N	1	0	359.470	1.867	20	30		FDEDRO
Cc1noc(C)c1CO[C@H]1CC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000599359980	553036021	/nfs/dbraw/zinc/03/60/21/553036021.db2.gz	IAGFWPFTHYGNCA-SJORKVTESA-N	1	0	363.458	1.954	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)CCOCC1	ZINC000599436388	553055856	/nfs/dbraw/zinc/05/58/56/553055856.db2.gz	JXQUIQISLDSNLM-YLJYHZDGSA-N	1	0	357.454	1.187	20	30		FDEDRO
CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000599452562	553060586	/nfs/dbraw/zinc/06/05/86/553060586.db2.gz	SPPYOPBVXSGSPY-IUODEOHRSA-N	1	0	363.380	1.058	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H](C1CC1)C1(CO)CCOCC1	ZINC000599460282	553063691	/nfs/dbraw/zinc/06/36/91/553063691.db2.gz	VEXXAXHKSJIGAP-PKOBYXMFSA-N	1	0	360.454	1.455	20	30		FDEDRO
N#Cc1ccc(NC(=O)CN2CCC([NH+]3CCOCC3)CC2)cc1Cl	ZINC000599473139	553067926	/nfs/dbraw/zinc/06/79/26/553067926.db2.gz	YAWIQZFJALZIBR-UHFFFAOYSA-N	1	0	362.861	1.947	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@]2(CO)CCCC(C)(C)C2)CC1	ZINC000599597899	553098919	/nfs/dbraw/zinc/09/89/19/553098919.db2.gz	ZRILUPKMXMORRP-FXAWDEMLSA-N	1	0	364.534	1.600	20	30		FDEDRO
Cc1cc(=NC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)[nH]n1CCC#N	ZINC000599613940	553103555	/nfs/dbraw/zinc/10/35/55/553103555.db2.gz	RRBIZSNBEBLLBW-NEPJUHHUSA-N	1	0	358.368	2.096	20	30		FDEDRO
COC(=O)[C@@H]1CC[N@H+](CC(=O)NCc2cccc(C#N)c2)[C@H]2CCC[C@H]21	ZINC000599661188	553115690	/nfs/dbraw/zinc/11/56/90/553115690.db2.gz	SSAGGJDOFLZLCL-KSZLIROESA-N	1	0	355.438	1.838	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)NCC[N@H+]3CC[C@@H](O)C3)n2)c(Cl)c1	ZINC000599770991	553143299	/nfs/dbraw/zinc/14/32/99/553143299.db2.gz	PLFKFGPOTLARFI-CYBMUJFWSA-N	1	0	374.832	1.585	20	30		FDEDRO
COc1cc(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(F)cc1C#N	ZINC000599811186	553153760	/nfs/dbraw/zinc/15/37/60/553153760.db2.gz	RDOREKOEQYXCSO-AWEZNQCLSA-N	1	0	362.405	1.769	20	30		FDEDRO
C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[NH2+]1	ZINC000599895813	553170432	/nfs/dbraw/zinc/17/04/32/553170432.db2.gz	LERRIRUKTOEAAO-SKDRFNHKSA-N	1	0	354.332	1.772	20	30		FDEDRO
CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000599918926	553174398	/nfs/dbraw/zinc/17/43/98/553174398.db2.gz	TXXDQFQFVSZRHI-GVDBMIGSSA-N	1	0	355.442	1.099	20	30		FDEDRO
C[C@@H]1CC[C@@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[NH2+]1	ZINC000599919430	553174476	/nfs/dbraw/zinc/17/44/76/553174476.db2.gz	WGIIIFDODWSRLN-XYPHTWIQSA-N	1	0	355.442	1.099	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)c(F)cc1C#N	ZINC000599947347	553182058	/nfs/dbraw/zinc/18/20/58/553182058.db2.gz	VYZKUQZLDVISIM-UHFFFAOYSA-N	1	0	362.405	1.493	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c(F)cc1C#N	ZINC000599966196	553188099	/nfs/dbraw/zinc/18/80/99/553188099.db2.gz	VWZZSPGSOXMVEW-NHYWBVRUSA-N	1	0	360.389	1.197	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c(F)cc1C#N	ZINC000599985620	553193884	/nfs/dbraw/zinc/19/38/84/553193884.db2.gz	HVXSFTMNACRRMK-XHDPSFHLSA-N	1	0	360.389	1.197	20	30		FDEDRO
COc1ccc(C(=O)NCC[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)cc1	ZINC000600715181	553306405	/nfs/dbraw/zinc/30/64/05/553306405.db2.gz	GLCWKOMRMUWLJU-INIZCTEOSA-N	1	0	361.442	1.086	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(N2CCOCC2)nc1	ZINC000600717239	553306419	/nfs/dbraw/zinc/30/64/19/553306419.db2.gz	JXZCODFZNQIWNU-SFHVURJKSA-N	1	0	368.437	1.319	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]Cc2ccccc2CN2CCCC2=O)CCOCC1	ZINC000600718737	553306546	/nfs/dbraw/zinc/30/65/46/553306546.db2.gz	SACWZDAAVKCARM-IBGZPJMESA-N	1	0	371.481	1.970	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]CC2(N3CCCC3)CCOCC2)CCOCC1	ZINC000600719560	553306601	/nfs/dbraw/zinc/30/66/01/553306601.db2.gz	CGEXVOVYDRKAOK-QGZVFWFLSA-N	1	0	351.491	1.292	20	30		FDEDRO
CS(=O)(=O)Cc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2C#N)cc1	ZINC000600719913	553306635	/nfs/dbraw/zinc/30/66/35/553306635.db2.gz	LOGGNTGIEUQXJK-GOSISDBHSA-N	1	0	374.462	1.632	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]CCC(=O)N2CCN(c3ccccc3)CC2)CC1	ZINC000600724420	553307532	/nfs/dbraw/zinc/30/75/32/553307532.db2.gz	SXZRSJWFSZZOEU-GOSISDBHSA-N	1	0	356.470	1.370	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)CCOCC1	ZINC000600727454	553308079	/nfs/dbraw/zinc/30/80/79/553308079.db2.gz	LXOGOSGYWTYBCA-QWHCGFSZSA-N	1	0	363.380	1.201	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H](N1CCOCC1)C(F)(F)F	ZINC000600740854	553309712	/nfs/dbraw/zinc/30/97/12/553309712.db2.gz	KTQZFHNVXPEILS-ZBFHGGJFSA-N	1	0	373.375	1.151	20	30		FDEDRO
Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1	ZINC000600740777	553309741	/nfs/dbraw/zinc/30/97/41/553309741.db2.gz	BFKKCOUJXMVNKC-ZWKOTPCHSA-N	1	0	362.470	1.704	20	30		FDEDRO
C[NH+](C)CCCN1C(=O)C[C@H](N2CCc3c(CC#N)cccc3C2)C1=O	ZINC000600888276	553325155	/nfs/dbraw/zinc/32/51/55/553325155.db2.gz	WXGVADSNBCHEDU-SFHVURJKSA-N	1	0	354.454	1.190	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CC2(C(=O)OCC)CCOCC2)CC1	ZINC000601040104	553342805	/nfs/dbraw/zinc/34/28/05/553342805.db2.gz	KFDIBVQTBFZNIN-UHFFFAOYSA-N	1	0	352.475	1.893	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000601346944	553381389	/nfs/dbraw/zinc/38/13/89/553381389.db2.gz	CRNSZIFPBUCEGJ-AOOOYVTPSA-N	1	0	356.245	1.446	20	30		FDEDRO
C[NH+](C)CCOC1CCN(S(=O)(=O)c2ccccc2CC#N)CC1	ZINC000601356449	553384276	/nfs/dbraw/zinc/38/42/76/553384276.db2.gz	QVCQUNICMDLCNO-UHFFFAOYSA-N	1	0	351.472	1.484	20	30		FDEDRO
CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)OC)[C@@H](C)C1	ZINC000601440692	553406590	/nfs/dbraw/zinc/40/65/90/553406590.db2.gz	UWJUMKCOYXNRCO-ZDUSSCGKSA-N	1	0	365.455	1.450	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N2CCN(CCC#N)CC2)Cc2ccccc2C1	ZINC000601579551	553439465	/nfs/dbraw/zinc/43/94/65/553439465.db2.gz	CHYGWWQETTUIMC-UHFFFAOYSA-N	1	0	355.486	1.326	20	30		FDEDRO
C[C@H]1[C@@H](NC(=O)N2CCN(CCC#N)CC2)CC[N@@H+]1Cc1ccccc1	ZINC000601610917	553445349	/nfs/dbraw/zinc/44/53/49/553445349.db2.gz	TWTPPIHBOOXJBL-HKUYNNGSSA-N	1	0	355.486	1.890	20	30		FDEDRO
N#Cc1ccnc(C(=O)NCc2ccc(CN3CCS(=O)CC3)cc2)c1	ZINC000601644652	553451769	/nfs/dbraw/zinc/45/17/69/553451769.db2.gz	GDKFRIPJFMGQRV-UHFFFAOYSA-N	1	0	368.462	1.448	20	30		FDEDRO
C[NH+](C)C[C@H](NC(=O)Cn1cnc(C#N)n1)c1cccc(C(F)(F)F)c1	ZINC000601703213	553459751	/nfs/dbraw/zinc/45/97/51/553459751.db2.gz	KOHJZJXGPSHABN-ZDUSSCGKSA-N	1	0	366.347	1.588	20	30		FDEDRO
CC(C)[C@H](C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N)[NH+]1CCCCC1	ZINC000601741046	553467029	/nfs/dbraw/zinc/46/70/29/553467029.db2.gz	MTVPFCPXAMFWDG-OAHLLOKOSA-N	1	0	360.462	1.567	20	30		FDEDRO
Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)Nc3cccc(C#N)n3)C2)cc1	ZINC000602076770	553514350	/nfs/dbraw/zinc/51/43/50/553514350.db2.gz	UOBWAONMCGCDHH-KRWDZBQOSA-N	1	0	363.421	1.591	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)C1	ZINC000602088295	553516906	/nfs/dbraw/zinc/51/69/06/553516906.db2.gz	KVMHKCXEQIPHKJ-GDBMZVCRSA-N	1	0	358.467	1.740	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)C34CCC[NH+](CCC3)C4)CC2)nc1	ZINC000602094847	553518412	/nfs/dbraw/zinc/51/84/12/553518412.db2.gz	HDPOMNLEJKHFGA-UHFFFAOYSA-N	1	0	353.470	1.914	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3C[C@@H]([NH+]4CCCC4)C3)CC2)o1	ZINC000602167628	553532728	/nfs/dbraw/zinc/53/27/28/553532728.db2.gz	OYXIJZPORIZIEY-IYBDPMFKSA-N	1	0	357.458	1.814	20	30		FDEDRO
CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCC(C)(C)CC#N)CC1	ZINC000602279977	553555465	/nfs/dbraw/zinc/55/54/65/553555465.db2.gz	VECVOTNGOIIECQ-UHFFFAOYSA-N	1	0	364.490	1.146	20	30		FDEDRO
N#Cc1cccc2c1CN(C(=O)c1nnn([C@@H]3CC[NH2+]C3)c1C(F)F)C2	ZINC000602519626	553597617	/nfs/dbraw/zinc/59/76/17/553597617.db2.gz	CAGDOPWSTXJJQB-GFCCVEGCSA-N	1	0	358.352	1.778	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@]1(N2CCOCC2)CCSC1	ZINC000602532983	553600458	/nfs/dbraw/zinc/60/04/58/553600458.db2.gz	XVNPVTSYPYKPAT-AEFFLSMTSA-N	1	0	353.532	1.883	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1	ZINC000602727029	553628503	/nfs/dbraw/zinc/62/85/03/553628503.db2.gz	YSRIJTXKHUXROW-IEBWSBKVSA-N	1	0	358.486	1.971	20	30		FDEDRO
C[NH+](C)C[C@@]1(O)CCCN(CC(=O)Nc2cc(Cl)ccc2C#N)C1	ZINC000602890763	553661807	/nfs/dbraw/zinc/66/18/07/553661807.db2.gz	JCDJEPPXDLPHRB-KRWDZBQOSA-N	1	0	350.850	1.539	20	30		FDEDRO
CN1CCN(C(=O)CC[NH+]2CCC(Nc3ccccc3C#N)CC2)CC1	ZINC000602894238	553663891	/nfs/dbraw/zinc/66/38/91/553663891.db2.gz	JALXXDKBKWTTRD-UHFFFAOYSA-N	1	0	355.486	1.599	20	30		FDEDRO
N#Cc1ccc(C2([NH2+]C[C@@H](O)CC3(O)CCOCC3)CCOCC2)cc1	ZINC000602916416	553668527	/nfs/dbraw/zinc/66/85/27/553668527.db2.gz	UAJFPUQPMMJYCF-SFHVURJKSA-N	1	0	360.454	1.446	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1	ZINC000602924333	553670546	/nfs/dbraw/zinc/67/05/46/553670546.db2.gz	OLKDYOJOWOORKQ-KBAYOESNSA-N	1	0	357.454	1.842	20	30		FDEDRO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1	ZINC000602935388	553673767	/nfs/dbraw/zinc/67/37/67/553673767.db2.gz	LXSIAPMXQSNTON-DZYBAUGOSA-N	1	0	374.485	1.290	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1	ZINC000602935381	553673908	/nfs/dbraw/zinc/67/39/08/553673908.db2.gz	LWVCWZOQOLUMIT-XMCHAPAWSA-N	1	0	368.437	1.306	20	30		FDEDRO
Cc1sc(NC(=O)Cn2cc(CN3CC[NH+](C)CC3)nn2)c(C#N)c1C	ZINC000603168739	553720519	/nfs/dbraw/zinc/72/05/19/553720519.db2.gz	DPUAOPSLBRTBLP-UHFFFAOYSA-N	1	0	373.486	1.214	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@@H](n2cc(C[C@@H]3CCC[NH2+]C3)nn2)C1=O	ZINC000603192377	553728109	/nfs/dbraw/zinc/72/81/09/553728109.db2.gz	HTSQQOFVWSGGDG-SWLSCSKDSA-N	1	0	356.455	1.731	20	30		FDEDRO
CN(CCC[NH3+])Cc1cn(Cc2cc(C#N)ccc2Br)nn1	ZINC000603240726	553740483	/nfs/dbraw/zinc/74/04/83/553740483.db2.gz	DMFDMFJTKXGZTB-UHFFFAOYSA-N	1	0	363.263	1.741	20	30		FDEDRO
C[NH+](C)[C@]1(CNc2ccc(C#N)cc2CS(N)(=O)=O)CCSC1	ZINC000603301737	553759290	/nfs/dbraw/zinc/75/92/90/553759290.db2.gz	BODJCOUMTKDZQH-HNNXBMFYSA-N	1	0	354.501	1.196	20	30		FDEDRO
Cc1ccc(C[N@@H+]2CCCN(C(=O)Cn3ccc(C#N)cc3=O)CC2)cc1	ZINC000603347749	553768344	/nfs/dbraw/zinc/76/83/44/553768344.db2.gz	MXCWJIOXOPNLJD-UHFFFAOYSA-N	1	0	364.449	1.763	20	30		FDEDRO
N#Cc1c(F)cccc1C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000603409778	553782084	/nfs/dbraw/zinc/78/20/84/553782084.db2.gz	CDERJDCZCCQPIO-HNNXBMFYSA-N	1	0	360.433	1.224	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H](NC(=O)N2CCCC2)[C@@H](C)CC)CC1	ZINC000605509776	553994118	/nfs/dbraw/zinc/99/41/18/553994118.db2.gz	GDBCWTXAJXYAFI-RDJZCZTQSA-N	1	0	350.507	1.973	20	30		FDEDRO
CN1CC[NH+](CCCCNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC1	ZINC000609112862	554338603	/nfs/dbraw/zinc/33/86/03/554338603.db2.gz	ZINJRPZHGIFVRX-FQEVSTJZSA-N	1	0	369.513	1.671	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1	ZINC000609187982	554347158	/nfs/dbraw/zinc/34/71/58/554347158.db2.gz	XFHQMWLCIJFTSS-MRXNPFEDSA-N	1	0	361.442	1.515	20	30		FDEDRO
CC[NH+]1CCN(CCCNC(=O)c2cc3ccccc3n2CC#N)CC1	ZINC000609201295	554348992	/nfs/dbraw/zinc/34/89/92/554348992.db2.gz	ZHVUNZLJLHJCSA-UHFFFAOYSA-N	1	0	353.470	1.922	20	30		FDEDRO
N#CCN1CCC([NH2+]Cc2ccccc2OCC(=O)N2CCCC2)CC1	ZINC000609334803	554367530	/nfs/dbraw/zinc/36/75/30/554367530.db2.gz	IIHHSEFLDCMTSF-UHFFFAOYSA-N	1	0	356.470	1.765	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)[C@H]1C[NH+]2CCC1CC2	ZINC000609532490	554388217	/nfs/dbraw/zinc/38/82/17/554388217.db2.gz	DLLFOBUTWHJGPI-SFHVURJKSA-N	1	0	366.469	1.703	20	30		FDEDRO
CN(C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000609557269	554393128	/nfs/dbraw/zinc/39/31/28/554393128.db2.gz	DOGQHQRQTADQHQ-GOSISDBHSA-N	1	0	368.485	1.800	20	30		FDEDRO
C[C@H](CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)N1CC[NH+](C)CC1	ZINC000609624064	554404225	/nfs/dbraw/zinc/40/42/25/554404225.db2.gz	SPXPMEZDTYYDNY-APWZRJJASA-N	1	0	355.486	1.279	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1	ZINC000609642623	554407199	/nfs/dbraw/zinc/40/71/99/554407199.db2.gz	NDBJKOZHUYEATK-AWEZNQCLSA-N	1	0	370.457	1.492	20	30		FDEDRO
C[C@H](NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)C1CC[NH+](C)CC1	ZINC000610024959	554449606	/nfs/dbraw/zinc/44/96/06/554449606.db2.gz	ADDGIZCKZJRPTF-HNNXBMFYSA-N	1	0	370.501	1.952	20	30		FDEDRO
CCNC(=O)CN1CCN(c2c(C#N)cnc3c(F)ccc(F)c32)CC1	ZINC000610245695	554477622	/nfs/dbraw/zinc/47/76/22/554477622.db2.gz	NWISLXGRSDVPFA-UHFFFAOYSA-N	1	0	359.380	1.643	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C(=O)OC)c2C)CC1	ZINC000610382170	554498443	/nfs/dbraw/zinc/49/84/43/554498443.db2.gz	HLEPUEBGJCMINK-UHFFFAOYSA-N	1	0	359.426	1.487	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCO[C@@H](C(=O)OC(C)(C)C)C2)CC1	ZINC000610460112	554512144	/nfs/dbraw/zinc/51/21/44/554512144.db2.gz	YYVOKKZGEGYHGT-OAHLLOKOSA-N	1	0	353.463	1.389	20	30		FDEDRO
Cn1cc(C[C@@H]2CC[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)cn1	ZINC000610476575	554515805	/nfs/dbraw/zinc/51/58/05/554515805.db2.gz	ALNHFUWTHMZUJV-PKOBYXMFSA-N	1	0	354.454	1.790	20	30		FDEDRO
N#Cc1c(N)n[nH]c1CCCNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1	ZINC000610478126	554516067	/nfs/dbraw/zinc/51/60/67/554516067.db2.gz	MMDWYIHPVBWRSK-UHFFFAOYSA-N	1	0	351.374	1.199	20	30		FDEDRO
CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000610722130	554554253	/nfs/dbraw/zinc/55/42/53/554554253.db2.gz	KGOXKKAMZBHIHU-JKSUJKDBSA-N	1	0	371.489	1.443	20	30		FDEDRO
COC(=O)C[C@H]1CSCC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1	ZINC000610781378	554561745	/nfs/dbraw/zinc/56/17/45/554561745.db2.gz	RCMOWZKARJDTOL-HOTGVXAUSA-N	1	0	364.467	1.473	20	30		FDEDRO
CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)[C@H]2C1	ZINC000611110065	554606185	/nfs/dbraw/zinc/60/61/85/554606185.db2.gz	WMPLXIBBLLLQNP-LMCOJAPRSA-N	1	0	360.454	1.761	20	30		FDEDRO
Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(C#N)c2)cc1S(N)(=O)=O	ZINC000611388009	554630466	/nfs/dbraw/zinc/63/04/66/554630466.db2.gz	BVHIVGYONJISKX-ZDUSSCGKSA-N	1	0	372.450	1.803	20	30		FDEDRO
Cc1cc(=NC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)[nH]n1CCC#N	ZINC000611481832	554636898	/nfs/dbraw/zinc/63/68/98/554636898.db2.gz	ACDXBWOIQVTJRO-RDJZCZTQSA-N	1	0	373.505	1.595	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000612581271	554809873	/nfs/dbraw/zinc/80/98/73/554809873.db2.gz	RAYZSFQOMRYDRB-KSZLIROESA-N	1	0	351.491	1.341	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1	ZINC000612723194	554830136	/nfs/dbraw/zinc/83/01/36/554830136.db2.gz	MRNZIVAYBLSJIK-IBGZPJMESA-N	1	0	372.513	1.343	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1	ZINC000613859866	554980611	/nfs/dbraw/zinc/98/06/11/554980611.db2.gz	KKAOTZOLAIDZKQ-PMACEKPBSA-N	1	0	371.529	1.571	20	30		FDEDRO
COc1ccc([C@H](CCn2cncn2)[NH2+]C2CCN(CC#N)CC2)cc1	ZINC000615085864	555156368	/nfs/dbraw/zinc/15/63/68/555156368.db2.gz	LWEHFDQSECFNEV-IBGZPJMESA-N	1	0	354.458	1.996	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CC[C@](F)(C#N)C2)c1	ZINC000615539442	555209839	/nfs/dbraw/zinc/20/98/39/555209839.db2.gz	YERWBGWEPCAONL-SFHVURJKSA-N	1	0	361.421	1.125	20	30		FDEDRO
CC[C@H]([NH2+][C@H](C)C(=O)NC1(C#N)CCC1)c1ccccc1OCC(=O)NC	ZINC000615794631	555241510	/nfs/dbraw/zinc/24/15/10/555241510.db2.gz	GJYNSSNBMYGALB-ZBFHGGJFSA-N	1	0	372.469	1.803	20	30		FDEDRO
CC[C@@]1([NH2+]CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCOC1	ZINC000616865968	555350691	/nfs/dbraw/zinc/35/06/91/555350691.db2.gz	CZYXGJLHAKMLPC-MAUKXSAKSA-N	1	0	362.499	1.616	20	30		FDEDRO
C[C@@H]1OCC[C@]1(C)[NH2+]CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000617252596	555406826	/nfs/dbraw/zinc/40/68/26/555406826.db2.gz	LMZSRZQLAPUOIT-CVAIRZPRSA-N	1	0	374.460	1.692	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(CC)[C@H]2CC[N@H+](CC)C2)cc1	ZINC000617933618	555542794	/nfs/dbraw/zinc/54/27/94/555542794.db2.gz	VDVYTYPHJNHGOI-INIZCTEOSA-N	1	0	365.499	1.707	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CC2(CCOCC2)O1	ZINC000619175165	555733544	/nfs/dbraw/zinc/73/35/44/555733544.db2.gz	FORIYDUVFHVYGC-AEFFLSMTSA-N	1	0	360.454	1.762	20	30		FDEDRO
CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1cccc(CC#N)c1	ZINC000619482033	555784700	/nfs/dbraw/zinc/78/47/00/555784700.db2.gz	JVUWJEZHKIIIOX-UHFFFAOYSA-N	1	0	353.488	1.732	20	30		FDEDRO
N#CC1CCC(CNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1	ZINC000619684474	555821761	/nfs/dbraw/zinc/82/17/61/555821761.db2.gz	WAGLFOOUFIALEH-UHFFFAOYSA-N	1	0	352.398	1.652	20	30		FDEDRO
C[C@@H](CNC(=O)NCc1ccc(C#N)c(Cl)c1)C[NH+]1CCN(C)CC1	ZINC000619759631	555831576	/nfs/dbraw/zinc/83/15/76/555831576.db2.gz	UADYTABAPAVGFZ-AWEZNQCLSA-N	1	0	363.893	1.894	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CCNC(C)=O)C1CCSCC1	ZINC000619815629	555839386	/nfs/dbraw/zinc/83/93/86/555839386.db2.gz	YAXYJSKUKAJSHE-AWEZNQCLSA-N	1	0	354.520	1.328	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)C[NH+](CC)CC)cc1	ZINC000620560641	555948153	/nfs/dbraw/zinc/94/81/53/555948153.db2.gz	BYIILVNQOMZBFW-AWEZNQCLSA-N	1	0	360.458	1.387	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1	ZINC000623203734	556376390	/nfs/dbraw/zinc/37/63/90/556376390.db2.gz	JHJOFPYAADVTJV-SFHVURJKSA-N	1	0	357.454	1.806	20	30		FDEDRO
C=CCn1c(-c2cn[nH]c2)nnc1N1CC[N@H+](CCOC)[C@@H](CCC)C1	ZINC000624844204	556653329	/nfs/dbraw/zinc/65/33/29/556653329.db2.gz	GHYUZNYDKPHEID-INIZCTEOSA-N	1	0	359.478	1.791	20	30		FDEDRO
C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C	ZINC000624991898	556686773	/nfs/dbraw/zinc/68/67/73/556686773.db2.gz	SWQMCEKVBOYVMQ-OAHLLOKOSA-N	1	0	371.489	1.934	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1	ZINC000625433819	556806124	/nfs/dbraw/zinc/80/61/24/556806124.db2.gz	UMLYNZHBUZRXNB-UHFFFAOYSA-N	1	0	364.534	1.191	20	30		FDEDRO
C=CCC1([NH2+]CC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)CCCCC1	ZINC000625936982	556954779	/nfs/dbraw/zinc/95/47/79/556954779.db2.gz	FOJINUGYLNQEPA-MRXNPFEDSA-N	1	0	372.531	1.517	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2	ZINC000627440226	557402653	/nfs/dbraw/zinc/40/26/53/557402653.db2.gz	GFPWSEZWUDLPQK-QGZVFWFLSA-N	1	0	357.454	1.611	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cc1	ZINC000627827790	557511347	/nfs/dbraw/zinc/51/13/47/557511347.db2.gz	IRCZXXXSHFCZIB-HNNXBMFYSA-N	1	0	372.469	1.389	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1	ZINC000632896753	558229536	/nfs/dbraw/zinc/22/95/36/558229536.db2.gz	AYILRLBPSCHNSO-KBPBESRZSA-N	1	0	350.444	1.071	20	30		FDEDRO
C=C(C)Cn1c(COCCOC)nnc1N1CCC[N@@H+](C(C)C)CC1	ZINC000634385313	558457628	/nfs/dbraw/zinc/45/76/28/558457628.db2.gz	WORACTOYRICFHR-UHFFFAOYSA-N	1	0	351.495	1.938	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1	ZINC000271861153	674389959	/nfs/dbraw/zinc/38/99/59/674389959.db2.gz	UFVSWNNKFLTILI-LSDHHAIUSA-N	1	0	365.499	1.834	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1	ZINC000272486308	674450696	/nfs/dbraw/zinc/45/06/96/674450696.db2.gz	HFLWGEJRGAYODZ-UHFFFAOYSA-N	1	0	362.415	1.907	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH2+][C@@H](CO)c1ccc(Br)cc1	ZINC000273082449	674504412	/nfs/dbraw/zinc/50/44/12/674504412.db2.gz	HWBKYWIOPYZNPH-AWEZNQCLSA-N	1	0	354.248	1.834	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1nn(C)cc1-c1nn[nH]n1)C(C)C	ZINC000819740305	606162150	/nfs/dbraw/zinc/16/21/50/606162150.db2.gz	XLUUONMRBZALKE-CQSZACIVSA-N	1	0	373.465	1.420	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccc(-c2nn[nH]n2)cc1	ZINC000824562041	608464932	/nfs/dbraw/zinc/46/49/32/608464932.db2.gz	BWYLCHGGSPEFFK-ZDUSSCGKSA-N	1	0	361.409	1.705	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)cc1	ZINC000274530021	674593261	/nfs/dbraw/zinc/59/32/61/674593261.db2.gz	UFYCTMYNMBBDHO-MRXNPFEDSA-N	1	0	363.483	1.201	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@@H](OCCO)C1)C(C)C	ZINC000275791627	674640151	/nfs/dbraw/zinc/64/01/51/674640151.db2.gz	VUWKFYGCSJIPPD-MSOLQXFVSA-N	1	0	353.507	1.868	20	30		FDEDRO
C[C@@H]1C[C@H](C)C[N@@H+](CCCCNS(=O)(=O)c2cccnc2C#N)C1	ZINC000277094029	674854702	/nfs/dbraw/zinc/85/47/02/674854702.db2.gz	VWEPDXGGHRYIRW-GASCZTMLSA-N	1	0	350.488	1.990	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)c1	ZINC000277287171	674907574	/nfs/dbraw/zinc/90/75/74/674907574.db2.gz	NUWBKRYHEJMVGV-INIZCTEOSA-N	1	0	365.499	1.707	20	30		FDEDRO
CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000278668239	675176799	/nfs/dbraw/zinc/17/67/99/675176799.db2.gz	NWMSWFATFLVQNW-CQSZACIVSA-N	1	0	361.471	1.772	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)N1C[C@H](C)C[C@@H](C)C1	ZINC000088664779	671490323	/nfs/dbraw/zinc/49/03/23/671490323.db2.gz	VWCPRBLCQPQNLY-OAGGEKHMSA-N	1	0	374.551	1.028	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NCC2CC[NH+](C)CC2)ccc1F	ZINC000101522581	671583237	/nfs/dbraw/zinc/58/32/37/671583237.db2.gz	ZNPZXBFKYIGJGM-UHFFFAOYSA-N	1	0	369.462	1.362	20	30		FDEDRO
N#CCSCC(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000287558464	675917873	/nfs/dbraw/zinc/91/78/73/675917873.db2.gz	WPZFTOCGNHEHPT-SFHVURJKSA-N	1	0	358.511	1.662	20	30		FDEDRO
C[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc(C#N)nc3)cc2)CC1	ZINC000109423619	671623185	/nfs/dbraw/zinc/62/31/85/671623185.db2.gz	KCCVBIOENFQSTA-UHFFFAOYSA-N	1	0	357.439	1.506	20	30		FDEDRO
C[C@@H](ON=C(N)C[NH+]1CCCCCC1)C(=O)NCc1ccccc1F	ZINC000114630212	671650510	/nfs/dbraw/zinc/65/05/10/671650510.db2.gz	JXHXPLLLLFIWRD-CQSZACIVSA-N	1	0	350.438	1.995	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1	ZINC000118986453	671669158	/nfs/dbraw/zinc/66/91/58/671669158.db2.gz	KBMOBIIOZQXPTG-ZDUSSCGKSA-N	1	0	352.460	1.471	20	30		FDEDRO
C[NH+](C)C1CCN(CCNS(=O)(=O)c2cccc(F)c2C#N)CC1	ZINC000124982054	671743471	/nfs/dbraw/zinc/74/34/71/671743471.db2.gz	GWAHBNUMERGFKW-UHFFFAOYSA-N	1	0	354.451	1.002	20	30		FDEDRO
CC(C)C[NH+]=C(NCCc1ccco1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000154488221	671923712	/nfs/dbraw/zinc/92/37/12/671923712.db2.gz	KNIKOTPYYISLSM-UHFFFAOYSA-N	1	0	355.504	1.933	20	30		FDEDRO
C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@@H](O)C1CC1	ZINC000156583914	671957713	/nfs/dbraw/zinc/95/77/13/671957713.db2.gz	BSNFVDZJJJQBLY-MRXNPFEDSA-N	1	0	354.372	1.876	20	30		FDEDRO
CC(C)c1cccc(NC(=[NH2+])NCCNS(=O)(=O)c2cccnc2)c1	ZINC000157384209	671968234	/nfs/dbraw/zinc/96/82/34/671968234.db2.gz	HVJBZTUTBWLUPD-UHFFFAOYSA-N	1	0	361.471	1.910	20	30		FDEDRO
C[NH+]=C(NCC(C)(C)N1CCCCC1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158616052	671981284	/nfs/dbraw/zinc/98/12/84/671981284.db2.gz	XEFAJIQOAMSEMN-UHFFFAOYSA-N	1	0	358.552	1.335	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)ccc1F	ZINC000161086290	672007059	/nfs/dbraw/zinc/00/70/59/672007059.db2.gz	GENKCMTXVOLNSQ-CHWSQXEVSA-N	1	0	355.435	1.290	20	30		FDEDRO
C[NH+]=C(NCC(=O)N1CCCCC1)N1CC[C@@H](C(=O)OC(C)(C)C)C1	ZINC000179103890	672154787	/nfs/dbraw/zinc/15/47/87/672154787.db2.gz	VYMASBNKTXFNET-CQSZACIVSA-N	1	0	352.479	1.238	20	30		FDEDRO
CCOCCCNC(=[NH2+])NCc1cccc(N2CCCS2(=O)=O)c1	ZINC000184875591	672250977	/nfs/dbraw/zinc/25/09/77/672250977.db2.gz	OBMQDXUBLBYUGY-UHFFFAOYSA-N	1	0	354.476	1.057	20	30		FDEDRO
CN(C)C(=O)C[NH+]=C(NCc1cccs1)N1CC[C@@]2(CCOC2)C1	ZINC000185535656	672260954	/nfs/dbraw/zinc/26/09/54/672260954.db2.gz	BPHJMUFSZRFVTN-QGZVFWFLSA-N	1	0	350.488	1.394	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C(F)(F)F)ccn2)CC1	ZINC000193364437	672367447	/nfs/dbraw/zinc/36/74/47/672367447.db2.gz	MECGKEFNHUVHCW-UHFFFAOYSA-N	1	0	356.348	1.806	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1CC(N)=NOCC(=O)N1CCC[C@H](C(F)(F)F)C1	ZINC000193620562	672371428	/nfs/dbraw/zinc/37/14/28/672371428.db2.gz	DOWIMPZFEYLEPM-OLZOCXBDSA-N	1	0	364.412	1.951	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1	ZINC000245930763	672473988	/nfs/dbraw/zinc/47/39/88/672473988.db2.gz	UVYSNBHOYNKARS-BBRMVZONSA-N	1	0	350.488	1.732	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@H]1CCSC1	ZINC000246012335	672480629	/nfs/dbraw/zinc/48/06/29/672480629.db2.gz	YSUVUFJDQUBHTF-LSDHHAIUSA-N	1	0	364.540	1.894	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1CC(N)=NOCC(=O)N1CCC[C@@H](C(F)(F)F)C1	ZINC000248761525	672539252	/nfs/dbraw/zinc/53/92/52/672539252.db2.gz	DOWIMPZFEYLEPM-QWHCGFSZSA-N	1	0	364.412	1.951	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCC[NH2+]2)c1	ZINC000255329621	672615542	/nfs/dbraw/zinc/61/55/42/672615542.db2.gz	SUBZCKHTEXZHGT-VHAMKEJYSA-N	1	0	364.471	1.580	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(C)s1)NCC1CCN(S(C)(=O)=O)CC1	ZINC000261615279	672635872	/nfs/dbraw/zinc/63/58/72/672635872.db2.gz	GPZCPVVZRZGYMR-UHFFFAOYSA-N	1	0	372.560	1.783	20	30		FDEDRO
C[NH+]=C(NCc1cc(Br)cs1)N1CCO[C@@H](COC)C1	ZINC000261771995	672669539	/nfs/dbraw/zinc/66/95/39/672669539.db2.gz	DSEOFKPRESTYNL-LLVKDONJSA-N	1	0	362.293	1.933	20	30		FDEDRO
C[NH+]=C(NCCN1CCSCC1)N1CCN([C@H](C)C(F)(F)F)CC1	ZINC000261859816	672684583	/nfs/dbraw/zinc/68/45/83/672684583.db2.gz	NCZQRZJLGWVIFH-CYBMUJFWSA-N	1	0	367.485	1.179	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1CCC[C@H](CC(N)=O)C1	ZINC000261862596	672685083	/nfs/dbraw/zinc/68/50/83/672685083.db2.gz	ZNSDKQJDUDHMQP-WTTBNOFXSA-N	1	0	350.507	1.743	20	30		FDEDRO
C[NH+]=C(NC[C@@](C)(O)c1ccco1)N1CCN([C@H](C)C(F)(F)F)CC1	ZINC000261895873	672690510	/nfs/dbraw/zinc/69/05/10/672690510.db2.gz	QZKFDQNJIHDAIQ-IUODEOHRSA-N	1	0	362.396	1.631	20	30		FDEDRO
C[NH+]=C(NC[C@@](C)(O)c1ccco1)N1CCN([C@@H](C)C(F)(F)F)CC1	ZINC000261895874	672690512	/nfs/dbraw/zinc/69/05/12/672690512.db2.gz	QZKFDQNJIHDAIQ-SWLSCSKDSA-N	1	0	362.396	1.631	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(COC)cc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261983597	672706821	/nfs/dbraw/zinc/70/68/21/672706821.db2.gz	PNHNFBUHQXFFLY-UHFFFAOYSA-N	1	0	367.515	1.808	20	30		FDEDRO
C[NH+]=C(NCCNC(=O)C(C)(C)C)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000262009316	672711502	/nfs/dbraw/zinc/71/15/02/672711502.db2.gz	UXJZPYMHLCALCG-UHFFFAOYSA-N	1	0	353.511	1.055	20	30		FDEDRO
[NH2+]=C(NCCNS(=O)(=O)c1cccc(Cl)c1)NC1CCCCC1	ZINC000262014331	672711900	/nfs/dbraw/zinc/71/19/00/672711900.db2.gz	VJKVNLBKDDHMCH-UHFFFAOYSA-N	1	0	358.895	1.855	20	30		FDEDRO
C[NH+]=C(NC[C@@H](c1cccs1)N(C)C)NC1CCN(C(C)=O)CC1	ZINC000262156075	672737031	/nfs/dbraw/zinc/73/70/31/672737031.db2.gz	AMJSZRKLNSVYEM-HNNXBMFYSA-N	1	0	351.520	1.527	20	30		FDEDRO
CN(C)C(=O)CNC(NC1CCOCC1)=[NH+][C@@H]1CC[C@@H]2CCC[C@@H]2C1	ZINC000262275196	672760023	/nfs/dbraw/zinc/76/00/23/672760023.db2.gz	HUPZXCBSOZEYJE-ZMSDIMECSA-N	1	0	350.507	1.758	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@@H]1CCO[C@]2(CCSC2)C1)=[NH+]C1CCCC1	ZINC000262275215	672760029	/nfs/dbraw/zinc/76/00/29/672760029.db2.gz	HVYYAXZVNPQAJM-CRAIPNDOSA-N	1	0	368.547	1.607	20	30		FDEDRO
COc1ccc([C@@H](CNC(=[NH2+])N2CCSCC2)N2CCOCC2)cc1	ZINC000262300362	672764967	/nfs/dbraw/zinc/76/49/67/672764967.db2.gz	NUZRLCXGXJJWHV-QGZVFWFLSA-N	1	0	364.515	1.432	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(NC2CCOCC2)=[NH+]CC2CCCCC2)C1	ZINC000262334404	672772463	/nfs/dbraw/zinc/77/24/63/672772463.db2.gz	BOQZXIWCMCMJQR-MRXNPFEDSA-N	1	0	371.547	1.716	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCC2(C1)CCOCC2	ZINC000262352159	672775169	/nfs/dbraw/zinc/77/51/69/672775169.db2.gz	FJEXEBGHKYQZCQ-OAHLLOKOSA-N	1	0	357.520	1.278	20	30		FDEDRO
C[NH+]=C(NC[C@]1(O)CCSC1)N[C@@H]1CCN(c2cccc(OC)c2)C1	ZINC000262352869	672775262	/nfs/dbraw/zinc/77/52/62/672775262.db2.gz	FKXYMSHWMUHTCM-RDTXWAMCSA-N	1	0	364.515	1.307	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCc2ccc(F)cc2C1	ZINC000262365835	672777463	/nfs/dbraw/zinc/77/74/63/672777463.db2.gz	HSWOAFNZABWJIS-AWEZNQCLSA-N	1	0	367.490	1.973	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N(C)Cc1nc2c(s1)CCCC2	ZINC000262368964	672777727	/nfs/dbraw/zinc/77/77/27/672777727.db2.gz	IFEMKWHPEFBSNM-GFCCVEGCSA-N	1	0	370.544	1.464	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(=[NH+]C[C@@H]2CCCCO2)N2CCCCC2)C1	ZINC000262385778	672780825	/nfs/dbraw/zinc/78/08/25/672780825.db2.gz	LGPBZRYGAIYEBN-CVEARBPZSA-N	1	0	357.520	1.422	20	30		FDEDRO
C=CCNC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+][C@@H]1CCOC2(CCC2)C1	ZINC000262389557	672781583	/nfs/dbraw/zinc/78/15/83/672781583.db2.gz	LWXIWNNASCWZHP-LSDHHAIUSA-N	1	0	355.504	1.244	20	30		FDEDRO
CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=[NH2+])Nc1ccc2c(c1)CCC2	ZINC000262403070	672783778	/nfs/dbraw/zinc/78/37/78/672783778.db2.gz	OBVNIYUYVCVCLW-HOCLYGCPSA-N	1	0	350.488	1.620	20	30		FDEDRO
O=S1(=O)CC[C@@H](C[NH+]=C(NCCc2cccs2)N2CCCC2)C1	ZINC000262446284	672790883	/nfs/dbraw/zinc/79/08/83/672790883.db2.gz	VIAFMBUMDQAZSO-AWEZNQCLSA-N	1	0	355.529	1.767	20	30		FDEDRO
CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCC2(C1)CCOCC2	ZINC000262452241	672791787	/nfs/dbraw/zinc/79/17/87/672791787.db2.gz	WEQUBXWDOQGOGH-HNNXBMFYSA-N	1	0	357.520	1.279	20	30		FDEDRO
C[NH+]=C(NCc1nc(C(F)(F)F)cs1)NC[C@@H]1CN(C)CCO1	ZINC000262551674	672806140	/nfs/dbraw/zinc/80/61/40/672806140.db2.gz	TZEYYNQUHXNSHU-SECBINFHSA-N	1	0	351.398	1.158	20	30		FDEDRO
CCc1cccc(NC(=[NH2+])NCCS(=O)(=O)N2CCSCC2)c1	ZINC000262552973	672806489	/nfs/dbraw/zinc/80/64/89/672806489.db2.gz	ZKDWLCAZRNVTSX-UHFFFAOYSA-N	1	0	356.517	1.354	20	30		FDEDRO
CS(=O)(=O)N1CCCC[C@H]1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21	ZINC000262628045	672821018	/nfs/dbraw/zinc/82/10/18/672821018.db2.gz	DZOCCAXMIRVTKD-DZGCQCFKSA-N	1	0	366.487	1.229	20	30		FDEDRO
CN1CC[NH+]=C1NCC(=O)Nc1ccc(I)cc1	ZINC000262658495	672826778	/nfs/dbraw/zinc/82/67/78/672826778.db2.gz	MGYFQVGSAPQYQS-UHFFFAOYSA-N	1	0	358.183	1.121	20	30		FDEDRO
C[C@@H]1C[NH+]=C(NCc2ccc(Br)cc2N2CCOCC2)N1	ZINC000262687693	672830420	/nfs/dbraw/zinc/83/04/20/672830420.db2.gz	YYRHANNQQZMGGN-LLVKDONJSA-N	1	0	353.264	1.723	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1	ZINC000264079646	672900116	/nfs/dbraw/zinc/90/01/16/672900116.db2.gz	GUYWYNUOFHEZEM-CYBMUJFWSA-N	1	0	356.492	1.155	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCCCOC[C@@H]2CCCO2)cc1OC	ZINC000264081701	672900168	/nfs/dbraw/zinc/90/01/68/672900168.db2.gz	ISJQKRZQUQGIGJ-HNNXBMFYSA-N	1	0	351.447	1.694	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2ncc(C(C)(C)C)o2)CC1	ZINC000267430441	673303201	/nfs/dbraw/zinc/30/32/01/673303201.db2.gz	MLZVOQLDCCROGX-UHFFFAOYSA-N	1	0	351.451	1.997	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCO[C@H]2c2ccccc2)nc1	ZINC000289444728	676136937	/nfs/dbraw/zinc/13/69/37/676136937.db2.gz	ORBVOBQLLALYLD-AEFFLSMTSA-N	1	0	357.435	1.847	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH+]2CCC(CNS(C)(=O)=O)CC2)cc1	ZINC000289573589	676154455	/nfs/dbraw/zinc/15/44/55/676154455.db2.gz	STJLXVVGFCQFKV-UHFFFAOYSA-N	1	0	364.515	1.798	20	30		FDEDRO
Cc1onc(N)c1S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000289590820	676156156	/nfs/dbraw/zinc/15/61/56/676156156.db2.gz	VTQAAHAOWRMXTH-UHFFFAOYSA-N	1	0	363.443	1.189	20	30		FDEDRO
COCCNC(=[NH2+])NCc1cccc(-c2nc(CC(F)(F)F)no2)c1	ZINC000290616864	676218254	/nfs/dbraw/zinc/21/82/54/676218254.db2.gz	KAUZHWUPPUZRPP-UHFFFAOYSA-N	1	0	357.336	1.892	20	30		FDEDRO
C=C(C)CS(=O)(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1	ZINC000280638226	675443493	/nfs/dbraw/zinc/44/34/93/675443493.db2.gz	URODNOKBLPTIBY-UHFFFAOYSA-N	1	0	355.479	1.963	20	30		FDEDRO
COCCNC(=[NH2+])NCc1nc(-c2cccc(Br)c2)no1	ZINC000280639083	675443497	/nfs/dbraw/zinc/44/34/97/675443497.db2.gz	MPSXPXZXYMUWPJ-UHFFFAOYSA-N	1	0	354.208	1.550	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000281753962	675554322	/nfs/dbraw/zinc/55/43/22/675554322.db2.gz	JISQNQNSDBRTDG-SJLPKXTDSA-N	1	0	364.515	1.919	20	30		FDEDRO
CC[N@H+](CCOCCO)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1	ZINC000282020215	675587061	/nfs/dbraw/zinc/58/70/61/675587061.db2.gz	KFZFXUXFOUKKRQ-HNNXBMFYSA-N	1	0	351.422	1.792	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)C1=O	ZINC000282084344	675595957	/nfs/dbraw/zinc/59/59/57/675595957.db2.gz	UUHSIEWIYFYWEF-BBRMVZONSA-N	1	0	351.472	1.374	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1	ZINC000282514347	675631934	/nfs/dbraw/zinc/63/19/34/675631934.db2.gz	ZWUURTMJRQJAMX-NXHRZFHOSA-N	1	0	362.499	1.386	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1	ZINC000282828176	675643144	/nfs/dbraw/zinc/64/31/44/675643144.db2.gz	MFLWOQIYURORTJ-AWEZNQCLSA-N	1	0	356.467	1.526	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C	ZINC000284633702	675735963	/nfs/dbraw/zinc/73/59/63/675735963.db2.gz	RNUABQKARYKCPY-HNNXBMFYSA-N	1	0	353.463	1.580	20	30		FDEDRO
COc1ccccc1CNC(=[NH2+])NC[C@@H]1CCCC[C@H]1NS(C)(=O)=O	ZINC000285102389	675798570	/nfs/dbraw/zinc/79/85/70/675798570.db2.gz	OSFMWNMFBTZPMU-DZGCQCFKSA-N	1	0	368.503	1.208	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCCc2cnc3c(Cl)cnn3c2)CC1	ZINC000296570775	676419598	/nfs/dbraw/zinc/41/95/98/676419598.db2.gz	XTZJVEYSKGBVEZ-UHFFFAOYSA-N	1	0	362.865	1.875	20	30		FDEDRO
CCS(=O)(=O)N(C)CCCNC(=[NH2+])Nc1ccc(OC(C)C)cc1	ZINC000303890814	676543605	/nfs/dbraw/zinc/54/36/05/676543605.db2.gz	MRZWAQDSIKLEDZ-UHFFFAOYSA-N	1	0	356.492	1.872	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NCCCNC(=O)c1ccc(Br)cc1	ZINC000303969279	676543942	/nfs/dbraw/zinc/54/39/42/676543942.db2.gz	BPVOUZBNYXUZIP-NSHDSACASA-N	1	0	371.279	1.508	20	30		FDEDRO
CC(C)N1C(=O)N[C@@H]2CN(C(=O)NC3CC[NH+](C(C)C)CC3)CC[C@@H]21	ZINC000328979736	676614767	/nfs/dbraw/zinc/61/47/67/676614767.db2.gz	RDEIXECLHWGWSS-CVEARBPZSA-N	1	0	351.495	1.854	20	30		FDEDRO
C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1CCO[C@@H]2CC[N@H+](C)C[C@H]21	ZINC000329049712	676617508	/nfs/dbraw/zinc/61/75/08/676617508.db2.gz	WCJNEUGMABKCPE-ZJPYXAASSA-N	1	0	353.507	1.943	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)NCc2nc3cc(Br)cnc3[nH]2)N(C)C1	ZINC000329060186	676617924	/nfs/dbraw/zinc/61/79/24/676617924.db2.gz	YZTUCXYXMUBNLX-ONGXEEELSA-N	1	0	368.235	1.896	20	30		FDEDRO
O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C1(N2CCOCC2)CCC1	ZINC000329091684	676619558	/nfs/dbraw/zinc/61/95/58/676619558.db2.gz	JQNLYUXQJAXBHU-MRXNPFEDSA-N	1	0	351.491	1.699	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCO[C@H](c2nccs2)C1	ZINC000329256630	676628926	/nfs/dbraw/zinc/62/89/26/676628926.db2.gz	AZHMPNIJAQQUEH-KGLIPLIRSA-N	1	0	353.492	1.066	20	30		FDEDRO
COCC(=O)N1CCC(NC(=O)[C@@H]2COCCN2C2CCCC2)CC1	ZINC000329268116	676629749	/nfs/dbraw/zinc/62/97/49/676629749.db2.gz	GJZJYGDHRGYJSF-INIZCTEOSA-N	1	0	353.463	1.224	20	30		FDEDRO
Cc1noc([C@@H]2CCCCN2C(=O)N[C@H](C)CN2CC[NH+](C)CC2)n1	ZINC000329442328	676638937	/nfs/dbraw/zinc/63/89/37/676638937.db2.gz	NERSAXHKGXFDQP-HIFRSBDPSA-N	1	0	350.467	1.455	20	30		FDEDRO
Cc1noc(C(C)(C)NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)n1	ZINC000329466277	676639863	/nfs/dbraw/zinc/63/98/63/676639863.db2.gz	VXXNFDUDPKNIKU-ZIAGYGMSSA-N	1	0	351.451	1.495	20	30		FDEDRO
Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCC1(C)CC[NH+](C)CC1	ZINC000329489917	676641176	/nfs/dbraw/zinc/64/11/76/676641176.db2.gz	HRFYDPUYESAEMX-LBPRGKRZSA-N	1	0	372.491	1.647	20	30		FDEDRO
CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCOCC3(CCOCC3)C2)C1	ZINC000329496333	676641367	/nfs/dbraw/zinc/64/13/67/676641367.db2.gz	DUZSSZMUCWSLCG-MRXNPFEDSA-N	1	0	353.463	1.083	20	30		FDEDRO
C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000329512622	676642158	/nfs/dbraw/zinc/64/21/58/676642158.db2.gz	NMJIWIAFZVOHIU-GJZGRUSLSA-N	1	0	357.520	1.326	20	30		FDEDRO
C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)N[C@H]1CCC(=O)NC12CCC2	ZINC000329600133	676645676	/nfs/dbraw/zinc/64/56/76/676645676.db2.gz	KAEHDESIASKKRI-KFWWJZLASA-N	1	0	350.463	1.737	20	30		FDEDRO
C[C@H](NC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000329608033	676646104	/nfs/dbraw/zinc/64/61/04/676646104.db2.gz	MZADZRLKSUOPQX-RZLSGREXSA-N	1	0	357.520	1.576	20	30		FDEDRO
C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1	ZINC000329757204	676653176	/nfs/dbraw/zinc/65/31/76/676653176.db2.gz	ZFUIPVYBBQUWNH-GAGVYUBLSA-N	1	0	352.479	1.839	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)N2CCOCC3(CCOCC3)C2)CCSC1	ZINC000329758407	676653436	/nfs/dbraw/zinc/65/34/36/676653436.db2.gz	NNOQLKXXOJSULJ-KRWDZBQOSA-N	1	0	357.520	1.467	20	30		FDEDRO
O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCS(=O)(=O)C2(CCCCC2)C1	ZINC000329786428	676656186	/nfs/dbraw/zinc/65/61/86/676656186.db2.gz	XXJRCMZBLCKJOP-HNNXBMFYSA-N	1	0	369.531	1.818	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)N2CCN(CC(=O)NC3CC3)CC2)CC1	ZINC000329801507	676657434	/nfs/dbraw/zinc/65/74/34/676657434.db2.gz	JQWLTWMHPBWDAB-UHFFFAOYSA-N	1	0	351.495	1.511	20	30		FDEDRO
Cc1nc(CCNC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cs1	ZINC000329828280	676659637	/nfs/dbraw/zinc/65/96/37/676659637.db2.gz	JGRVXRYFTYNUSL-OAHLLOKOSA-N	1	0	365.503	1.146	20	30		FDEDRO
N#CC1(CS(=O)(=O)N2CCN(C[C@@H]3CCOC3)CC2)CCCCC1	ZINC000330014226	676668666	/nfs/dbraw/zinc/66/86/66/676668666.db2.gz	MUWHYRVHJJIKPW-INIZCTEOSA-N	1	0	355.504	1.444	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CCSC1	ZINC000330050700	676670540	/nfs/dbraw/zinc/67/05/40/676670540.db2.gz	MDVYJAXFVFJMFR-LBTNJELSSA-N	1	0	367.515	1.946	20	30		FDEDRO
C[N@H+](CCO)C1CCN(C(=O)NCc2nnc(C(C)(C)C)s2)CC1	ZINC000330083626	676671746	/nfs/dbraw/zinc/67/17/46/676671746.db2.gz	BLTSHOUDUYKXFD-UHFFFAOYSA-N	1	0	355.508	1.638	20	30		FDEDRO
CC(C)(C(N)=O)N1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1	ZINC000330204617	676678296	/nfs/dbraw/zinc/67/82/96/676678296.db2.gz	BUPLJCIVFXZQHH-UHFFFAOYSA-N	1	0	351.495	1.706	20	30		FDEDRO
C[NH+](C)[C@@H]1CCCN(C(=O)Nc2nc(CN3CCOCC3)cs2)CC1	ZINC000330254794	676681257	/nfs/dbraw/zinc/68/12/57/676681257.db2.gz	PIKGKEIIIUPXML-OAHLLOKOSA-N	1	0	367.519	1.937	20	30		FDEDRO
CC(=O)N1CCN(C(=O)CCNC(=O)CC[C@H]2CCCC[N@H+]2C)CC1	ZINC000330312833	676683697	/nfs/dbraw/zinc/68/36/97/676683697.db2.gz	WTIYPVXIKNVZRS-MRXNPFEDSA-N	1	0	352.479	1.288	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1	ZINC000330376607	676686670	/nfs/dbraw/zinc/68/66/70/676686670.db2.gz	DPZAMHVKGDBEAQ-SJLPKXTDSA-N	1	0	364.515	1.967	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000330380479	676687221	/nfs/dbraw/zinc/68/72/21/676687221.db2.gz	UQHMVTNNWZSRCB-JFIYKMOQSA-N	1	0	364.515	1.823	20	30		FDEDRO
C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@H](S(C)(=O)=O)C2)cc1F	ZINC000330381363	676687409	/nfs/dbraw/zinc/68/74/09/676687409.db2.gz	IGHPNHHJISVMKG-AWEZNQCLSA-N	1	0	357.451	1.420	20	30		FDEDRO
CS[C@H]1CN(CC(=O)NC(=O)Nc2ccc(C)cc2C)C[C@H]1[NH+](C)C	ZINC000330506585	676694520	/nfs/dbraw/zinc/69/45/20/676694520.db2.gz	LTPRQOFYTQQHGX-CVEARBPZSA-N	1	0	364.515	1.943	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)N2CCC(O)(C(F)(F)F)CC2)CC1	ZINC000330710750	676701686	/nfs/dbraw/zinc/70/16/86/676701686.db2.gz	ULWVPIMZUGCBFY-UHFFFAOYSA-N	1	0	367.412	1.791	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)C1	ZINC000330724722	676702279	/nfs/dbraw/zinc/70/22/79/676702279.db2.gz	JESBDAIZRARBRF-RBSFLKMASA-N	1	0	360.524	1.082	20	30		FDEDRO
C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)C1	ZINC000331155554	676719098	/nfs/dbraw/zinc/71/90/98/676719098.db2.gz	JBZXKWWXMFKWMS-LBPRGKRZSA-N	1	0	357.451	1.799	20	30		FDEDRO
CSC[C@H]1CCC[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1	ZINC000331165387	676719487	/nfs/dbraw/zinc/71/94/87/676719487.db2.gz	GRAUAMSALNFJCI-DLBZAZTESA-N	1	0	352.548	1.754	20	30		FDEDRO
CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)C1	ZINC000331201055	676721448	/nfs/dbraw/zinc/72/14/48/676721448.db2.gz	AQYOTBUGTKADMV-OWCLPIDISA-N	1	0	374.551	1.423	20	30		FDEDRO
CCOC(=O)c1cnc(NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)n1C	ZINC000331234305	676723162	/nfs/dbraw/zinc/72/31/62/676723162.db2.gz	KONCROHRNALKHH-OLZOCXBDSA-N	1	0	351.451	1.804	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@@H]1C	ZINC000331301331	676726363	/nfs/dbraw/zinc/72/63/63/676726363.db2.gz	WPELSCMJOVZINL-GXTWGEPZSA-N	1	0	354.476	1.684	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(OC(F)F)cn2)C[C@H]1C	ZINC000331347587	676728417	/nfs/dbraw/zinc/72/84/17/676728417.db2.gz	SENHNGJNBRHVGM-NEPJUHHUSA-N	1	0	358.389	1.484	20	30		FDEDRO
N#Cc1ccc(OCCN2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)cc1	ZINC000365775437	677380989	/nfs/dbraw/zinc/38/09/89/677380989.db2.gz	JYUBHPOOQMPKOT-KRWDZBQOSA-N	1	0	363.483	1.178	20	30		FDEDRO
Cc1ccccc1C[N@H+]1CCCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1	ZINC000367166304	677489766	/nfs/dbraw/zinc/48/97/66/677489766.db2.gz	SATPFULNKHRAAW-KRWDZBQOSA-N	1	0	364.515	1.982	20	30		FDEDRO
CCC[C@@]1(CO)CC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1	ZINC000367356611	677491553	/nfs/dbraw/zinc/49/15/53/677491553.db2.gz	OQGCCTDPHHAPAP-PKOBYXMFSA-N	1	0	350.507	1.163	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H]1C[NH+]1CCCCCC1	ZINC000368724831	677501435	/nfs/dbraw/zinc/50/14/35/677501435.db2.gz	NXLVFNNNSPSOJK-MRXNPFEDSA-N	1	0	357.520	1.637	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1	ZINC000369914420	677527294	/nfs/dbraw/zinc/52/72/94/677527294.db2.gz	VWGZVOPNRNAVBR-QGZVFWFLSA-N	1	0	371.547	1.885	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)CC1	ZINC000370568379	677592830	/nfs/dbraw/zinc/59/28/30/677592830.db2.gz	IFYAROPYSFCLPC-QZTJIDSGSA-N	1	0	350.507	1.579	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)NC1CC[NH+](C2CCCCC2)CC1	ZINC000371724440	677765936	/nfs/dbraw/zinc/76/59/36/677765936.db2.gz	AVRVVDVTDCIIMG-UHFFFAOYSA-N	1	0	357.520	1.684	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCC(C)(C)CC#N)C1	ZINC000422484515	680731836	/nfs/dbraw/zinc/73/18/36/680731836.db2.gz	APUJXMNBXZYQMQ-HNNXBMFYSA-N	1	0	352.479	1.002	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(CC)[C@@H]1c1cc(F)c(F)c(F)c1	ZINC000374820043	678092091	/nfs/dbraw/zinc/09/20/91/678092091.db2.gz	BFXMPUVBSOAOIJ-XNJJOIOASA-N	1	0	353.388	1.967	20	30		FDEDRO
C#CCCCS(=O)(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000376345940	678281458	/nfs/dbraw/zinc/28/14/58/678281458.db2.gz	DOHYCOHQMKBRAY-IAGOWNOFSA-N	1	0	356.532	1.941	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C	ZINC000376435437	678304709	/nfs/dbraw/zinc/30/47/09/678304709.db2.gz	OFBDTKOYFNUDBI-IHBAFOEMSA-N	1	0	351.491	1.415	20	30		FDEDRO
COC(=O)C[C@H]1COCCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000376539750	678330141	/nfs/dbraw/zinc/33/01/41/678330141.db2.gz	IZGKKOASBDDEEG-AWEZNQCLSA-N	1	0	365.817	1.804	20	30		FDEDRO
CC(C)(CCC#N)CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000376768880	678376056	/nfs/dbraw/zinc/37/60/56/678376056.db2.gz	ZISYYWWECJGAER-MRXNPFEDSA-N	1	0	351.495	1.022	20	30		FDEDRO
C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)N(C)CC[NH3+]	ZINC000423234785	680784834	/nfs/dbraw/zinc/78/48/34/680784834.db2.gz	QGADVKLOEKYEMW-UHFFFAOYSA-N	1	0	372.238	1.520	20	30		FDEDRO
CN(C1CC[NH+](CCn2cccn2)CC1)S(=O)(=O)CCC(C)(C)C#N	ZINC000377853344	678630039	/nfs/dbraw/zinc/63/00/39/678630039.db2.gz	ZDDFFGWIIWUZAF-UHFFFAOYSA-N	1	0	367.519	1.549	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)NC1CC[NH+](CCOC(C)C)CC1	ZINC000410119435	678878516	/nfs/dbraw/zinc/87/85/16/678878516.db2.gz	DJCJCMJHWBAKMC-HNNXBMFYSA-N	1	0	360.524	1.192	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)N(CC)C[C@@H](C)C#N)[C@H](C)C1	ZINC000410124235	678879986	/nfs/dbraw/zinc/87/99/86/678879986.db2.gz	WIIHMPISQGRQNL-BBWFWOEESA-N	1	0	374.551	1.439	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1	ZINC000410157234	678887402	/nfs/dbraw/zinc/88/74/02/678887402.db2.gz	JBPDHJOKCVKTAH-MRXNPFEDSA-N	1	0	352.504	1.967	20	30		FDEDRO
C=C(C)CN(C)C(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1	ZINC000410818176	678954924	/nfs/dbraw/zinc/95/49/24/678954924.db2.gz	ZSMZCMOBRYHCKC-UHFFFAOYSA-N	1	0	351.491	1.372	20	30		FDEDRO
CC(C)(CN1CCOCC1)[NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000412005102	679141697	/nfs/dbraw/zinc/14/16/97/679141697.db2.gz	UAGNGNKRTKCWEW-UHFFFAOYSA-N	1	0	350.850	1.851	20	30		FDEDRO
CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H]([NH3+])CCCC#N	ZINC000424078698	680828854	/nfs/dbraw/zinc/82/88/54/680828854.db2.gz	QGARYJZNJICSDZ-ZDUSSCGKSA-N	1	0	367.475	1.328	20	30		FDEDRO
COc1ccc(-c2nnc(SC[C@H](O)CN(C)CCC#N)n2C)cc1	ZINC000414095628	679330314	/nfs/dbraw/zinc/33/03/14/679330314.db2.gz	KTUPAMDULULXBK-CQSZACIVSA-N	1	0	361.471	1.789	20	30		FDEDRO
C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000415341468	679411307	/nfs/dbraw/zinc/41/13/07/679411307.db2.gz	HCNPCIMTEAFTLF-VIFPVBQESA-N	1	0	356.304	1.216	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)ccc1Br	ZINC000415536108	679446513	/nfs/dbraw/zinc/44/65/13/679446513.db2.gz	DMUFLRBOUWJBIT-LBPRGKRZSA-N	1	0	351.204	1.113	20	30		FDEDRO
C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1	ZINC000415559868	679451702	/nfs/dbraw/zinc/45/17/02/679451702.db2.gz	FJYMGAHANAWXBY-ZJUUUORDSA-N	1	0	365.231	1.455	20	30		FDEDRO
CN(C(=O)C(=O)Nc1ccc(C#N)c(Br)c1)C1CC([NH3+])C1	ZINC000415797530	679504775	/nfs/dbraw/zinc/50/47/75/679504775.db2.gz	ADKFLWMRPTXZFD-UHFFFAOYSA-N	1	0	351.204	1.207	20	30		FDEDRO
C=CCOc1ccc(Br)cc1NC(=O)N(C)C[C@@H](O)C[NH3+]	ZINC000415802562	679507825	/nfs/dbraw/zinc/50/78/25/679507825.db2.gz	IJHBWIWVLPQJNG-NSHDSACASA-N	1	0	358.236	1.797	20	30		FDEDRO
N#CCCSc1ccccc1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1	ZINC000415893566	679534454	/nfs/dbraw/zinc/53/44/54/679534454.db2.gz	NFSJDBOMHLFYPU-UONOGXRCSA-N	1	0	358.467	1.699	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)NCC[C@H]1CC[NH2+]C1	ZINC000420419979	680443881	/nfs/dbraw/zinc/44/38/81/680443881.db2.gz	NETOUJAZTUYBQK-SNVBAGLBSA-N	1	0	358.261	1.599	20	30		FDEDRO
C=CCCOCCCCC(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1	ZINC000425305904	680893482	/nfs/dbraw/zinc/89/34/82/680893482.db2.gz	IRUHXFPLUTWDJB-QGZVFWFLSA-N	1	0	351.491	1.561	20	30		FDEDRO
COCC(C)(C)[NH+]1CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1	ZINC000425514819	680907135	/nfs/dbraw/zinc/90/71/35/680907135.db2.gz	QGMPIPKUMIBJCK-INIZCTEOSA-N	1	0	350.507	1.760	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2[NH2+]CCCC2(C)C)c1	ZINC000430378234	681073839	/nfs/dbraw/zinc/07/38/39/681073839.db2.gz	KXHDAEZXZAJDJW-MRXNPFEDSA-N	1	0	365.499	1.659	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(CC)CCC[NH+]1CCCC1	ZINC000430385467	681074395	/nfs/dbraw/zinc/07/43/95/681074395.db2.gz	MBWHFOCZBPFHAN-IRXDYDNUSA-N	1	0	351.491	1.418	20	30		FDEDRO
C[C@@]1(CNS(=O)(=O)c2cc(Br)cc(C#N)c2)CCC[NH2+]C1	ZINC000440859833	682035123	/nfs/dbraw/zinc/03/51/23/682035123.db2.gz	NUNJYBBFXVTMSA-CQSZACIVSA-N	1	0	372.288	1.989	20	30		FDEDRO
C[NH+](C)C[C@H](O)COc1ccc(NS(=O)(=O)CCCCC#N)cc1	ZINC000443185564	682246747	/nfs/dbraw/zinc/24/67/47/682246747.db2.gz	YXDNGBABCBXWNZ-HNNXBMFYSA-N	1	0	355.460	1.423	20	30		FDEDRO
CC(C)(C)[C@H](CO)[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000444698453	682420596	/nfs/dbraw/zinc/42/05/96/682420596.db2.gz	RTUYMESUZQDURY-ZBFHGGJFSA-N	1	0	364.515	1.454	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@]2(C[NH3+])CCCC[C@@H]2C)c1	ZINC000448177344	682599853	/nfs/dbraw/zinc/59/98/53/682599853.db2.gz	FHNRALSAGNQNCQ-KSSFIOAISA-N	1	0	365.499	1.788	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cccc(C#N)c1Br	ZINC000448930818	682649249	/nfs/dbraw/zinc/64/92/49/682649249.db2.gz	SVAUTVFWUXXFHL-GFCCVEGCSA-N	1	0	365.275	1.686	20	30		FDEDRO
COCC[N@H+](C)CCNC(=O)COc1ccc(C#N)c(Br)c1	ZINC000449824222	682715384	/nfs/dbraw/zinc/71/53/84/682715384.db2.gz	CNINFEMLXPQTCR-UHFFFAOYSA-N	1	0	370.247	1.394	20	30		FDEDRO
N#Cc1cc(Br)cnc1NCCC[N@H+]1CCC[C@H](C(N)=O)C1	ZINC000450303847	682751883	/nfs/dbraw/zinc/75/18/83/682751883.db2.gz	JXSJYHPGAZQVKA-NSHDSACASA-N	1	0	366.263	1.715	20	30		FDEDRO
C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(S(=O)(=O)CC2(CC#N)CC2)C1	ZINC000451469483	682886036	/nfs/dbraw/zinc/88/60/36/682886036.db2.gz	DPKKHMDZLOMPGN-KRWDZBQOSA-N	1	0	362.499	1.859	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1	ZINC000451931420	682971902	/nfs/dbraw/zinc/97/19/02/682971902.db2.gz	SFQOKRMTPGIOJP-IRXDYDNUSA-N	1	0	364.515	1.777	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@](CO)(COC)C1	ZINC000451936740	682974497	/nfs/dbraw/zinc/97/44/97/682974497.db2.gz	UAFKALGJABMTDK-CRAIPNDOSA-N	1	0	352.500	1.982	20	30		FDEDRO
C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)C(=O)NC1(C#N)CCC1	ZINC000469319912	684962589	/nfs/dbraw/zinc/96/25/89/684962589.db2.gz	SAYKEZMBTZWEDX-HUUCEWRRSA-N	1	0	362.499	1.662	20	30		FDEDRO
C=CCNC(=O)C[N@@H+](C)[C@H](C)c1ccc(N2CCCS2(=O)=O)cc1	ZINC000485833618	686782466	/nfs/dbraw/zinc/78/24/66/686782466.db2.gz	LPXGEMJBUVNGQX-CQSZACIVSA-N	1	0	351.472	1.522	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(C#N)c(F)c3)C2)CC1	ZINC000489180704	687082978	/nfs/dbraw/zinc/08/29/78/687082978.db2.gz	GMRVVCPXWZJKGX-OAHLLOKOSA-N	1	0	366.462	1.098	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](CCNC(C)=O)C2)CC1	ZINC000493810127	687455246	/nfs/dbraw/zinc/45/52/46/687455246.db2.gz	OLXWZFJYFYAZHF-QGZVFWFLSA-N	1	0	350.507	1.975	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C	ZINC000506208114	688556958	/nfs/dbraw/zinc/55/69/58/688556958.db2.gz	GOLWCRASJHQSMB-KBXCAEBGSA-N	1	0	353.463	1.475	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C	ZINC000506349273	688563097	/nfs/dbraw/zinc/56/30/97/688563097.db2.gz	ZDBBWMOWSKCZQL-KSSFIOAISA-N	1	0	352.479	1.000	20	30		FDEDRO
Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC(F)(C#N)CC1	ZINC000510448548	689379994	/nfs/dbraw/zinc/37/99/94/689379994.db2.gz	VHEOVVVFGICXPP-UHFFFAOYSA-N	1	0	357.455	1.078	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+]C[C@H](N3CCOCC3)C(F)(F)F)n2c1	ZINC000512977218	689650831	/nfs/dbraw/zinc/65/08/31/689650831.db2.gz	IKERPYMNCGDPHP-AWEZNQCLSA-N	1	0	353.348	1.559	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2	ZINC000515612815	689877429	/nfs/dbraw/zinc/87/74/29/689877429.db2.gz	DMQFISLACCDXPC-AWEZNQCLSA-N	1	0	353.850	1.797	20	30		FDEDRO
N#Cc1ccccc1CSCC[NH2+]C[C@@H](O)COC1CCOCC1	ZINC000516275099	689937829	/nfs/dbraw/zinc/93/78/29/689937829.db2.gz	FQXYBAGSBZYVSY-QGZVFWFLSA-N	1	0	350.484	1.938	20	30		FDEDRO
Cn1cc(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)c(C(F)(F)F)n1	ZINC000516453721	689951205	/nfs/dbraw/zinc/95/12/05/689951205.db2.gz	IJWXKDIZMUUORF-ZDUSSCGKSA-N	1	0	354.332	1.840	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1Br	ZINC000519822008	690276351	/nfs/dbraw/zinc/27/63/51/690276351.db2.gz	DXYHVUBVGHRCFH-GFCCVEGCSA-N	1	0	370.272	1.836	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1	ZINC000525680784	694634029	/nfs/dbraw/zinc/63/40/29/694634029.db2.gz	ZMJFBMGKOUTOCU-HNNXBMFYSA-N	1	0	360.845	1.797	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1	ZINC000531844965	694852808	/nfs/dbraw/zinc/85/28/08/694852808.db2.gz	WIQNTEOTVHVJQU-GFCCVEGCSA-N	1	0	362.396	1.385	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000636671715	695194537	/nfs/dbraw/zinc/19/45/37/695194537.db2.gz	FWFIOTFYANOHGV-UHFFFAOYSA-N	1	0	351.491	1.466	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1NC[C@@H](C)C[NH+]1CCOCC1	ZINC000641386963	696082480	/nfs/dbraw/zinc/08/24/80/696082480.db2.gz	NVCGVHJPPWMPJY-OAHLLOKOSA-N	1	0	353.488	1.531	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1N1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000641400251	696088682	/nfs/dbraw/zinc/08/86/82/696088682.db2.gz	YMHPAIKFBDIOCW-INIZCTEOSA-N	1	0	365.499	1.309	20	30		FDEDRO
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(Cl)ncc1C#N	ZINC001164617243	719014681	/nfs/dbraw/zinc/01/46/81/719014681.db2.gz	NMJSRPOVLMIJKS-TVYUQYBPSA-N	1	0	370.787	1.881	20	30		FDEDRO
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)cc1C#N	ZINC001164614079	719016226	/nfs/dbraw/zinc/01/62/26/719016226.db2.gz	BXFXIILOYDZMSN-DRZSPHRISA-N	1	0	370.787	1.881	20	30		FDEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(OC)c(C#N)cc1F)CC2	ZINC001164689333	719737185	/nfs/dbraw/zinc/73/71/85/719737185.db2.gz	BGRVTMLSYYQVKP-UHFFFAOYSA-N	1	0	361.421	1.282	20	30		FDEDRO
N#Cc1nc(Cl)cnc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164741714	720643848	/nfs/dbraw/zinc/64/38/48/720643848.db2.gz	MAKKOBVPQXTLQD-NEPJUHHUSA-N	1	0	357.805	1.134	20	30		FDEDRO
N#Cc1c(Cl)ccnc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164739167	720653341	/nfs/dbraw/zinc/65/33/41/720653341.db2.gz	FURBQVMQPNNMCN-OLZOCXBDSA-N	1	0	356.817	1.739	20	30		FDEDRO
N#Cc1c[nH]c2nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)ccc12	ZINC001164738468	720711903	/nfs/dbraw/zinc/71/19/03/720711903.db2.gz	JWTPRKLSFIBDMQ-CABCVRRESA-N	1	0	361.409	1.566	20	30		FDEDRO
Cc1cnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c(C=NO)c1	ZINC001164742918	720740902	/nfs/dbraw/zinc/74/09/02/720740902.db2.gz	PJJRFMZZRFEBID-CVEARBPZSA-N	1	0	354.414	1.330	20	30		FDEDRO
N#Cc1cccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC001164751237	720812117	/nfs/dbraw/zinc/81/21/17/720812117.db2.gz	XPJACDWBNHLYKU-CEXWTWQISA-N	1	0	363.469	1.924	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C#N)ccc3[N+](=O)[O-])CC[C@@H]2C1	ZINC001164856712	720854096	/nfs/dbraw/zinc/85/40/96/720854096.db2.gz	PALCNYNVTXVUSW-CZUORRHYSA-N	1	0	361.402	1.035	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc(C)c3C#N)CC[C@@H]2C1	ZINC001164856725	720856581	/nfs/dbraw/zinc/85/65/81/720856581.db2.gz	PBSWFJCRMRJGKY-HIFRSBDPSA-N	1	0	365.865	1.484	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3[nH]ccc4ncc(C#N)c3-4)CC[C@@H]2C1	ZINC001164852109	720869801	/nfs/dbraw/zinc/86/98/01/720869801.db2.gz	CBQHXMHWSMBLAX-RHSMWYFYSA-N	1	0	355.442	1.608	20	30		FDEDRO
Cc1ccc(CC#N)c(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)n1	ZINC001164754710	720964764	/nfs/dbraw/zinc/96/47/64/720964764.db2.gz	UQPYRQGZFCQREI-UHFFFAOYSA-N	1	0	368.441	1.298	20	30		FDEDRO
Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)ncc4C#N)C[C@@H]3C2)cn1	ZINC001164772527	721093964	/nfs/dbraw/zinc/09/39/64/721093964.db2.gz	UYMFCACKMBVJNP-HIFRSBDPSA-N	1	0	357.849	1.693	20	30		FDEDRO
N#Cc1c(F)ccnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164862826	721105968	/nfs/dbraw/zinc/10/59/68/721105968.db2.gz	BACOMFBMAUFLLD-JKSUJKDBSA-N	1	0	353.401	1.967	20	30		FDEDRO
Cc1nc(C#N)cnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164871573	721127118	/nfs/dbraw/zinc/12/71/18/721127118.db2.gz	FOPFIZLXGBVWEZ-MSOLQXFVSA-N	1	0	350.426	1.531	20	30		FDEDRO
CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncc(C#N)cc4F)C3)O2)CC1	ZINC001164890804	721425545	/nfs/dbraw/zinc/42/55/45/721425545.db2.gz	FWWACGNVRZTZDO-FXAWDEMLSA-N	1	0	373.476	1.858	20	30		FDEDRO
Cc1nc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)cnc1C#N	ZINC001164896560	721428684	/nfs/dbraw/zinc/42/86/84/721428684.db2.gz	RMKZXCCCGWYFBN-YLJYHZDGSA-N	1	0	370.501	1.422	20	30		FDEDRO
CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)ncc2C#N)CC1	ZINC001165011566	721733191	/nfs/dbraw/zinc/73/31/91/721733191.db2.gz	QMETVEHLEQFRQJ-UHFFFAOYSA-N	1	0	362.865	1.525	20	30		FDEDRO
Cc1cnc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c(C#N)n1	ZINC001165002541	722255406	/nfs/dbraw/zinc/25/54/06/722255406.db2.gz	PNGBSUGKUWANBX-UHFFFAOYSA-N	1	0	355.446	1.342	20	30		FDEDRO
C=CCCn1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)nn1	ZINC000657372872	782364717	/nfs/dbraw/zinc/36/47/17/782364717.db2.gz	ZNODTGYRKYLXBR-AZUAARDMSA-N	1	0	355.486	1.827	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)/C=C(/C)C2CC2)C[C@H]1c1ccccc1	ZINC001211543260	782619224	/nfs/dbraw/zinc/61/92/24/782619224.db2.gz	AQAUZOQGHWXYGF-BRPHKXCKSA-N	1	0	365.477	1.676	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1	ZINC001022723168	782628364	/nfs/dbraw/zinc/62/83/64/782628364.db2.gz	LAOCSQILWZBANT-ZYSHUDEJSA-N	1	0	368.481	1.623	20	30		FDEDRO
C=CCCn1cc(CNc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)nn1	ZINC000657407793	782671051	/nfs/dbraw/zinc/67/10/51/782671051.db2.gz	ZFYIYDQTWYKJKW-SFHVURJKSA-N	1	0	354.458	1.916	20	30		FDEDRO
C[NH+]1CCC(CNc2cccc(C#N)c2[N+](=O)[O-])(N2CCOCC2)CC1	ZINC000413476367	782690460	/nfs/dbraw/zinc/69/04/60/782690460.db2.gz	FBEWLLAFNDTZAD-UHFFFAOYSA-N	1	0	359.430	1.675	20	30		FDEDRO
Cn1nccc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C1	ZINC001020421607	769396695	/nfs/dbraw/zinc/39/66/95/769396695.db2.gz	WEYZTAWHGJXWFH-CZPYZCIJSA-N	1	0	355.467	1.894	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+](CCOCCNC(C)=O)C[C@H]2C)CCCC1	ZINC001211492791	769743927	/nfs/dbraw/zinc/74/39/27/769743927.db2.gz	LHJVLQIMNKLWIE-SJLPKXTDSA-N	1	0	365.518	1.712	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CCC3(CC3)CC1)C2	ZINC001112474415	769776033	/nfs/dbraw/zinc/77/60/33/769776033.db2.gz	CUQCGNOCCUQGSS-AVRDEDQJSA-N	1	0	371.525	1.925	20	30		FDEDRO
CC(=O)c1ccc(C#N)c(NCC2(N3CCOCC3)CC[NH+](C)CC2)c1	ZINC000413487205	782784234	/nfs/dbraw/zinc/78/42/34/782784234.db2.gz	ZNMFPZDBSPMXHQ-UHFFFAOYSA-N	1	0	356.470	1.969	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](O)c2cc(F)ccc2F)C1	ZINC001022737549	782811163	/nfs/dbraw/zinc/81/11/63/782811163.db2.gz	CHDAJFBEYMZJSH-OSARJHGOSA-N	1	0	366.408	1.826	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(CCC(N)=O)cc3)[C@H]2C1	ZINC001083189763	770158958	/nfs/dbraw/zinc/15/89/58/770158958.db2.gz	HGFPOFLDVQBTJS-ZWKOTPCHSA-N	1	0	357.454	1.206	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCSC2(CC(C(=O)OC)C2)C1	ZINC000890600230	770230502	/nfs/dbraw/zinc/23/05/02/770230502.db2.gz	WIPJJQASORITSC-DIODGJHASA-N	1	0	350.484	1.418	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cnn(C)c2)c1	ZINC001087211185	782826173	/nfs/dbraw/zinc/82/61/73/782826173.db2.gz	WDWSYZNBHAZVHH-BEFAXECRSA-N	1	0	351.454	1.827	20	30		FDEDRO
C=C(Cl)CN1CC([C@H](C)NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1	ZINC000969686349	770645808	/nfs/dbraw/zinc/64/58/08/770645808.db2.gz	AWXVHUVWARDZGU-QGTPRVQTSA-N	1	0	369.937	1.922	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H]1C	ZINC001020600572	770950869	/nfs/dbraw/zinc/95/08/69/770950869.db2.gz	GZVLRSVMZXHXPK-YVSFHVDLSA-N	1	0	361.486	1.312	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)N2CCCCCC2)C1	ZINC001020605669	770988359	/nfs/dbraw/zinc/98/83/59/770988359.db2.gz	TXHCIPZWRKEIKM-ZKXLYKBJSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3ccccc3F)C2)C1=O	ZINC001020710844	771282776	/nfs/dbraw/zinc/28/27/76/771282776.db2.gz	BNSMHRZMYVRYSD-OVLUMVCASA-N	1	0	371.456	1.953	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)N2CCCCC2)C1	ZINC001020726339	771303240	/nfs/dbraw/zinc/30/32/40/771303240.db2.gz	GIOFYYVZOZHQMK-ATIWLJMLSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1cccnc1	ZINC001167124648	771411268	/nfs/dbraw/zinc/41/12/68/771411268.db2.gz	HUWRXDWXFQKKGH-ZWKOTPCHSA-N	1	0	358.486	1.706	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)NCc2ccnc(N3CCOCC3)c2)CC1	ZINC000328645785	771460745	/nfs/dbraw/zinc/46/07/45/771460745.db2.gz	GOVQZCNATZFALN-UHFFFAOYSA-N	1	0	361.490	1.796	20	30		FDEDRO
CCNC(=O)CO[C@H]1CCCN(c2ncc3c(c2C#N)CCC[NH2+]C3)C1	ZINC001167148325	771540248	/nfs/dbraw/zinc/54/02/48/771540248.db2.gz	GNLSTDYSKSDVLA-HNNXBMFYSA-N	1	0	357.458	1.111	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccn(C(F)F)n2)C[C@H]1C	ZINC001104238290	771554238	/nfs/dbraw/zinc/55/42/38/771554238.db2.gz	AONYPNDAOLTXLC-ZIAGYGMSSA-N	1	0	354.401	1.616	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CC2(CCNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)cc1F	ZINC001167244824	771797745	/nfs/dbraw/zinc/79/77/45/771797745.db2.gz	DOBBXPIDHVOXIZ-CABCVRRESA-N	1	0	358.417	1.195	20	30		FDEDRO
CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC000275450208	771820107	/nfs/dbraw/zinc/82/01/07/771820107.db2.gz	SHEWERRVTUZWOI-INIZCTEOSA-N	1	0	358.442	1.860	20	30		FDEDRO
CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC000275450214	771820251	/nfs/dbraw/zinc/82/02/51/771820251.db2.gz	SHEWERRVTUZWOI-MRXNPFEDSA-N	1	0	358.442	1.860	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(Cc3ccc(C#N)s3)C[C@@H]21	ZINC001083198654	771825857	/nfs/dbraw/zinc/82/58/57/771825857.db2.gz	JJQQATOMPJMRTH-VSZNYVQBSA-N	1	0	373.478	1.622	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(CC)CC)C1	ZINC001210070631	771901078	/nfs/dbraw/zinc/90/10/78/771901078.db2.gz	NSFYNPKTWCMHBH-LNLFQRSKSA-N	1	0	365.518	1.853	20	30		FDEDRO
CCc1nc(C#N)cc(NC[C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)n1	ZINC001104249470	771972952	/nfs/dbraw/zinc/97/29/52/771972952.db2.gz	RPNNOFXYWBHTEU-VNQPRFMTSA-N	1	0	358.490	1.805	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC(=O)NC)C1	ZINC001104249972	771997408	/nfs/dbraw/zinc/99/74/08/771997408.db2.gz	MPWNPZZBZOATMU-RBSFLKMASA-N	1	0	352.479	1.261	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cnc(Cl)n2C)C[C@H]1C	ZINC001104417528	782975221	/nfs/dbraw/zinc/97/52/21/782975221.db2.gz	SSUINMMRDJBBTI-CHWSQXEVSA-N	1	0	367.881	1.064	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)c4c[nH]cc4C)[C@@H]3C2)CC1	ZINC000972234691	782985825	/nfs/dbraw/zinc/98/58/25/782985825.db2.gz	YSGADWNJJUFSPU-IEBWSBKVSA-N	1	0	368.481	1.341	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1	ZINC000972241814	783005335	/nfs/dbraw/zinc/00/53/35/783005335.db2.gz	AYPRFGFGEXNKND-HSALFYBXSA-N	1	0	365.477	1.221	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1CC[NH2+]Cc1ccccc1C#N	ZINC001104261292	772518772	/nfs/dbraw/zinc/51/87/72/772518772.db2.gz	PQUJVHPRGNJRHG-ATZDWAIDSA-N	1	0	368.481	1.611	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)[C@H](C[NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC001087214450	783021712	/nfs/dbraw/zinc/02/17/12/783021712.db2.gz	VJTIWSJCKGGLFT-ZFVVBOAOSA-N	1	0	372.444	1.535	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)c2cccc(OCC(N)=O)c2)C[C@H]1C	ZINC001104262657	772547699	/nfs/dbraw/zinc/54/76/99/772547699.db2.gz	GJJRMALTAPLQBD-NVXWUHKLSA-N	1	0	359.470	1.815	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cn(-c3cccnc3)nn2)C[C@H]1C	ZINC001104270685	772668396	/nfs/dbraw/zinc/66/83/96/772668396.db2.gz	KMXCABSIQIVSBY-HZPDHXFCSA-N	1	0	352.442	1.373	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1	ZINC001021284889	772745659	/nfs/dbraw/zinc/74/56/59/772745659.db2.gz	YWDZKFVEXWZWAJ-GPLKVYFTSA-N	1	0	369.465	1.974	20	30		FDEDRO
C[C@H](Cc1c[nH]cn1)C(=O)N1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1	ZINC001021326927	772923502	/nfs/dbraw/zinc/92/35/02/772923502.db2.gz	FYFAMOMZWDFSPU-HACGYAERSA-N	1	0	366.425	1.161	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1	ZINC001021415192	773256846	/nfs/dbraw/zinc/25/68/46/773256846.db2.gz	KAZABUJNBUDQRR-JCGIZDLHSA-N	1	0	369.469	1.434	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc(-n2cccn2)c1	ZINC000275789880	773736397	/nfs/dbraw/zinc/73/63/97/773736397.db2.gz	GLOJDRLNLSALKP-UHFFFAOYSA-N	1	0	368.441	1.505	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C3CC3)CCC1)C2	ZINC001112494080	773931848	/nfs/dbraw/zinc/93/18/48/773931848.db2.gz	KQWYZKYHHKXJSB-LPHOPBHVSA-N	1	0	358.486	1.425	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CCCS1(=O)=O)C2	ZINC001112494855	773940484	/nfs/dbraw/zinc/94/04/84/773940484.db2.gz	YBBCYQGTWXOTIK-JZXOWHBKSA-N	1	0	354.516	1.748	20	30		FDEDRO
C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)n1cnc(C#N)n1	ZINC000891246660	774089795	/nfs/dbraw/zinc/08/97/95/774089795.db2.gz	DJLPFVRTIJLIOL-CJNGLKHVSA-N	1	0	355.446	1.196	20	30		FDEDRO
Cc1ncc2n1CC[C@H](C(=O)N1C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C1)C2	ZINC001021590631	774118152	/nfs/dbraw/zinc/11/81/52/774118152.db2.gz	ICBOBPODZGUMOH-JENIJYKNSA-N	1	0	366.465	1.227	20	30		FDEDRO
Cc1c(C(=O)N2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)ccc2c[nH+]cn21	ZINC001021592625	774131145	/nfs/dbraw/zinc/13/11/45/774131145.db2.gz	JCDOFZMNJWIFGB-QFBILLFUSA-N	1	0	362.433	1.729	20	30		FDEDRO
Cc1ccc(NC(=O)C(=O)N(C)[C@@H](C)CC#N)cc1NC(=O)CC[NH+](C)C	ZINC000275879280	774300839	/nfs/dbraw/zinc/30/08/39/774300839.db2.gz	FPIGBGSXUVWNOH-AWEZNQCLSA-N	1	0	373.457	1.584	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)COCCC)C[C@H]1c1ccccc1	ZINC001211551510	783177755	/nfs/dbraw/zinc/17/77/55/783177755.db2.gz	SJXUPBYHXUIAPD-YTQUADARSA-N	1	0	371.481	1.135	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC1(C[NH2+]CCOCCO)CC1	ZINC001167422015	774559852	/nfs/dbraw/zinc/55/98/52/774559852.db2.gz	GCNAGMJRRIFJFS-IRXDYDNUSA-N	1	0	354.491	1.243	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC1(C[NH2+][C@@H](CC)C(N)=O)CC1	ZINC001167422586	774564954	/nfs/dbraw/zinc/56/49/54/774564954.db2.gz	TXPQHXLDIPDXEP-JYJNAYRXSA-N	1	0	351.491	1.498	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1csnn1)C2	ZINC001112498669	774575645	/nfs/dbraw/zinc/57/56/45/774575645.db2.gz	XMYSWXNEDDGEJT-IGCXYCKISA-N	1	0	363.487	1.061	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)Cc2ccon2)C1=O	ZINC001087138255	774797314	/nfs/dbraw/zinc/79/73/14/774797314.db2.gz	DHYUIIHXTNKHPV-HYVNUMGLSA-N	1	0	360.458	1.221	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1(C[NH2+][C@@H](C)C(=O)NC2CC2)CC1	ZINC001167435245	774842550	/nfs/dbraw/zinc/84/25/50/774842550.db2.gz	OZUOZJGLOYEXIO-XIRDDKMYSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC(=O)NC)C1	ZINC001104731469	790391962	/nfs/dbraw/zinc/39/19/62/790391962.db2.gz	JXGMWSHBQDHALN-RBSFLKMASA-N	1	0	366.506	1.507	20	30		FDEDRO
N#CCC1(CNC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC1	ZINC000430555335	775919914	/nfs/dbraw/zinc/91/99/14/775919914.db2.gz	IDTBWFUIGWLZQI-UHFFFAOYSA-N	1	0	371.489	1.372	20	30		FDEDRO
CCc1ccccc1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104344235	775991111	/nfs/dbraw/zinc/99/11/11/775991111.db2.gz	PXPCYMFRPGTVAA-VQIMIIECSA-N	1	0	370.497	1.505	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)c4ccn(C)c4)C[C@H]32)CC1	ZINC001021884578	776499825	/nfs/dbraw/zinc/49/98/25/776499825.db2.gz	ZWJZYZSXLGISKR-PKOBYXMFSA-N	1	0	368.481	1.043	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4CC45CC5)C[C@H]32)CC1	ZINC001021886600	776501453	/nfs/dbraw/zinc/50/14/53/776501453.db2.gz	HVTDMYBVLCRHPQ-OKZBNKHCSA-N	1	0	355.482	1.191	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1nc3ccccn3c1=O)C2	ZINC001112505553	776994702	/nfs/dbraw/zinc/99/47/02/776994702.db2.gz	UNWVQDXDRFPXRL-JXFKEZNVSA-N	1	0	369.469	1.290	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c(C)c(C)nn(C)c1=O)C2	ZINC001112505792	777370195	/nfs/dbraw/zinc/37/01/95/777370195.db2.gz	IHEJNTQZMXKFEG-JXFKEZNVSA-N	1	0	358.486	1.805	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@]2(C(=O)OC)C[C@H]2c2ccccc2)CC1	ZINC000933352367	777500331	/nfs/dbraw/zinc/50/03/31/777500331.db2.gz	APBRMOWFGFPSHV-GHTZIAJQSA-N	1	0	354.450	1.937	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccn(C)c(=O)c2)C1	ZINC000971555229	777592421	/nfs/dbraw/zinc/59/24/21/777592421.db2.gz	AENVMCLUPVVGAJ-KURKYZTESA-N	1	0	359.470	1.399	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC2CC(F)(F)C2)C[C@H]1C	ZINC001104364869	777745889	/nfs/dbraw/zinc/74/58/89/777745889.db2.gz	IVKIMUVKDFVHPV-UKRRQHHQSA-N	1	0	355.429	1.245	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3noc4ccc(F)cc34)[C@H]2C1	ZINC001083221451	777910560	/nfs/dbraw/zinc/91/05/60/777910560.db2.gz	CKKZORCQYSBNRV-FUHWJXTLSA-N	1	0	357.385	1.444	20	30		FDEDRO
CC[NH+]=C(NCCc1nnc2n1CCCCC2)N1CC[C@@]2(CCOC2)C1	ZINC000261944432	777985737	/nfs/dbraw/zinc/98/57/37/777985737.db2.gz	FKHHDFAELMGQMJ-LJQANCHMSA-N	1	0	360.506	1.625	20	30		FDEDRO
Cc1nnc(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2ccc(C#N)cc2)[nH]1	ZINC001087163819	778090388	/nfs/dbraw/zinc/09/03/88/778090388.db2.gz	ROOQRYLSASZIEV-KDOFPFPSSA-N	1	0	366.469	1.944	20	30		FDEDRO
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C	ZINC000276550156	778117216	/nfs/dbraw/zinc/11/72/16/778117216.db2.gz	ZAQQYBSUSTUQMB-KRWDZBQOSA-N	1	0	372.513	1.839	20	30		FDEDRO
C[NH2+]C[C@H]1CCCCN1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000891499007	778147606	/nfs/dbraw/zinc/14/76/06/778147606.db2.gz	GKPXZZUPXAPLOY-QGZVFWFLSA-N	1	0	356.474	1.706	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1	ZINC000891556005	778303932	/nfs/dbraw/zinc/30/39/32/778303932.db2.gz	CTSBYYQKRLRSEV-KGLIPLIRSA-N	1	0	355.360	1.977	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4[C@@H]5CCC[C@@H]54)[C@@H]3C2)CC1	ZINC000971706903	778766171	/nfs/dbraw/zinc/76/61/71/778766171.db2.gz	AHVZYWHPFHDFDN-OBKDMQGPSA-N	1	0	369.509	1.437	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)C(=O)NC(N)=O)C1	ZINC001112507466	778990458	/nfs/dbraw/zinc/99/04/58/778990458.db2.gz	MGPZXHNCPXSNGH-TYILLQQXSA-N	1	0	364.490	1.390	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(N(C)C)nc2)C[C@H]1C	ZINC001104378845	779088721	/nfs/dbraw/zinc/08/87/21/779088721.db2.gz	KDWQTBOJBPHZQA-SJLPKXTDSA-N	1	0	358.486	1.485	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cccc(SCC#N)c1	ZINC000430702202	779254728	/nfs/dbraw/zinc/25/47/28/779254728.db2.gz	QPSMPPVZYADLME-QGZVFWFLSA-N	1	0	374.510	1.975	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(CNC(C)=O)o3)[C@H]2C1	ZINC001083225642	779415126	/nfs/dbraw/zinc/41/51/26/779415126.db2.gz	GATAEDUPTMYQJE-FUHWJXTLSA-N	1	0	361.442	1.407	20	30		FDEDRO
C[NH+](C)CCOc1cccc(CNC(=O)NCC#C[C@@H]2CCCCO2)c1	ZINC000891816075	779552690	/nfs/dbraw/zinc/55/26/90/779552690.db2.gz	LRVMGZMUMHWVBS-SFHVURJKSA-N	1	0	359.470	1.999	20	30		FDEDRO
C#CCCNC(=O)C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1	ZINC000276809222	779695155	/nfs/dbraw/zinc/69/51/55/779695155.db2.gz	NOGAWFXJWFNYDO-UHFFFAOYSA-N	1	0	356.470	1.603	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)o2)C[C@H]1C	ZINC001104384894	779730996	/nfs/dbraw/zinc/73/09/96/779730996.db2.gz	PDXOFWIYLWLCBS-ZIAGYGMSSA-N	1	0	369.487	1.581	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3ccccc3NC(C)=O)[C@H]2C1	ZINC001083228860	779848282	/nfs/dbraw/zinc/84/82/82/779848282.db2.gz	WUXFQIWFZIRARU-RBUKOAKNSA-N	1	0	355.438	1.122	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4CCCC[N@H+]4C)[C@@H]3C2)cn1	ZINC001022424170	780028622	/nfs/dbraw/zinc/02/86/22/780028622.db2.gz	PYBRQMWHEUGETN-YTQUADARSA-N	1	0	366.465	1.220	20	30		FDEDRO
C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000477867013	780035930	/nfs/dbraw/zinc/03/59/30/780035930.db2.gz	ZYWVRJXDCWQUPA-OAHLLOKOSA-N	1	0	354.454	1.828	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+][C@H]2CCNC2=O)cc1	ZINC001087182512	780046527	/nfs/dbraw/zinc/04/65/27/780046527.db2.gz	BGMLWLJFHFFKQL-AYBZRNKSSA-N	1	0	371.481	1.970	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC=CCC2)C[C@H]1c1ccccc1	ZINC001211526870	780088097	/nfs/dbraw/zinc/08/80/97/780088097.db2.gz	ZSMCRLZNLKCJGQ-SLFFLAALSA-N	1	0	365.477	1.676	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1c1ccccc1	ZINC001211527893	780269094	/nfs/dbraw/zinc/26/90/94/780269094.db2.gz	FFADFARTCOHORP-ZWKOTPCHSA-N	1	0	358.486	1.985	20	30		FDEDRO
Cc1ccoc1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC#N)C1	ZINC001211528633	780345104	/nfs/dbraw/zinc/34/51/04/780345104.db2.gz	ZPJYFHZFYFDQTI-DLBZAZTESA-N	1	0	366.421	1.426	20	30		FDEDRO
CC(C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1)[NH+](C)C	ZINC000971874427	780382387	/nfs/dbraw/zinc/38/23/87/780382387.db2.gz	BWVGOOJVCKACFT-XYPHTWIQSA-N	1	0	357.458	1.145	20	30		FDEDRO
CC(C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1)[NH+](C)C	ZINC000971875608	780387306	/nfs/dbraw/zinc/38/73/06/780387306.db2.gz	BWVGOOJVCKACFT-KBRIMQKVSA-N	1	0	357.458	1.145	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ncnc3[nH]ccc32)C[C@H]1C	ZINC001104389281	780634638	/nfs/dbraw/zinc/63/46/38/780634638.db2.gz	SBUJRQNPSLOAHT-HUUCEWRRSA-N	1	0	355.442	1.247	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c3ccccc32)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104393046	780941370	/nfs/dbraw/zinc/94/13/70/780941370.db2.gz	HJAJVPDZYVPHAZ-HUUCEWRRSA-N	1	0	367.453	1.495	20	30		FDEDRO
CC[NH+]=C(NC[C@](C)(O)c1ccco1)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000262009328	780971955	/nfs/dbraw/zinc/97/19/55/780971955.db2.gz	UXQYNMRPOFADOC-IBGZPJMESA-N	1	0	364.490	1.784	20	30		FDEDRO
O=C([C@@H]1CCNC1=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#Cc2ccccc2)C1	ZINC001112508396	781003674	/nfs/dbraw/zinc/00/36/74/781003674.db2.gz	DAFXJKCMQKOIGZ-JQVVWYNYSA-N	1	0	365.477	1.393	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CCC)C[C@H]2O)CC1	ZINC001025490877	790843756	/nfs/dbraw/zinc/84/37/56/790843756.db2.gz	JIFFPQUKPKLDDW-KZNAEPCWSA-N	1	0	363.502	1.295	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)C(=O)NC(=O)NC)C1	ZINC001112509143	781039173	/nfs/dbraw/zinc/03/91/73/781039173.db2.gz	LQBNTHDMKIPLNP-NJSLBKSFSA-N	1	0	364.490	1.261	20	30		FDEDRO
CC[C@H](F)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(CC)CCC#N)C1	ZINC001112510065	781060050	/nfs/dbraw/zinc/06/00/50/781060050.db2.gz	WDHNSZWIJXQAGS-BXWFABGCSA-N	1	0	366.481	1.715	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(-c4ccccn4)no3)[C@H]2C1	ZINC001083235239	781321617	/nfs/dbraw/zinc/32/16/17/781321617.db2.gz	TXIROJFUQJXQED-FUHWJXTLSA-N	1	0	354.410	1.838	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1	ZINC000431316621	781558761	/nfs/dbraw/zinc/55/87/61/781558761.db2.gz	DDWAGWNEBILXMG-FUHWJXTLSA-N	1	0	366.506	1.259	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C	ZINC000472120603	781712550	/nfs/dbraw/zinc/71/25/50/781712550.db2.gz	SBHRCOSIGVXLGV-DNVCBOLYSA-N	1	0	366.506	1.390	20	30		FDEDRO
C=CCCn1cc(CNCc2ccc(N3CC[NH+](CC)CC3)nc2)nn1	ZINC000657314313	781810552	/nfs/dbraw/zinc/81/05/52/781810552.db2.gz	UKZDEJHNUNJGMW-UHFFFAOYSA-N	1	0	355.490	1.681	20	30		FDEDRO
C[NH+]=C(NCc1ccnc(C)n1)N[C@@H]1CCN(c2ccccc2OC)C1	ZINC000158689892	783248639	/nfs/dbraw/zinc/24/86/39/783248639.db2.gz	ISFTVRPUUHNQRV-MRXNPFEDSA-N	1	0	354.458	1.738	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)CCc3ccccc3C(N)=O)[C@H]2C1	ZINC001083247682	783430496	/nfs/dbraw/zinc/43/04/96/783430496.db2.gz	AIXHDMKWPSDOMP-ZWKOTPCHSA-N	1	0	357.454	1.206	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc3c(c2)nnn3C)C1	ZINC000972373026	783530324	/nfs/dbraw/zinc/53/03/24/783530324.db2.gz	JWTHMJHTHBFOSB-MDZRGWNJSA-N	1	0	369.469	1.592	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc3nonc3c2)C1	ZINC000972376059	783550236	/nfs/dbraw/zinc/55/02/36/783550236.db2.gz	WAHSXVZMECFEQR-RKVPGOIHSA-N	1	0	356.426	1.847	20	30		FDEDRO
C=CCC[NH2+]C1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1	ZINC000658112892	783665085	/nfs/dbraw/zinc/66/50/85/783665085.db2.gz	AMZCKSVGYFSOFE-UHFFFAOYSA-N	1	0	351.472	1.964	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)NC2CCN(c3ccccc3C#N)CC2)C[C@H]1C[NH3+]	ZINC000892426787	783744269	/nfs/dbraw/zinc/74/42/69/783744269.db2.gz	IXRSWLWFZBTMFS-VQIMIIECSA-N	1	0	371.485	1.532	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3cccs3)C[C@H]21	ZINC000972834631	783900958	/nfs/dbraw/zinc/90/09/58/783900958.db2.gz	CJSCCOQUWCRCJE-BPQIPLTHSA-N	1	0	371.506	1.448	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3cc[nH]c3C)C[C@H]21	ZINC000972835486	783904298	/nfs/dbraw/zinc/90/42/98/783904298.db2.gz	WECCJTMOCINJQH-BPQIPLTHSA-N	1	0	354.454	1.094	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1	ZINC001024155716	784024486	/nfs/dbraw/zinc/02/44/86/784024486.db2.gz	YDNKJRBOQHDNEM-BZUAXINKSA-N	1	0	351.491	1.149	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2nncn2C)C1	ZINC001024191807	784289551	/nfs/dbraw/zinc/28/95/51/784289551.db2.gz	DVFAHWAXQABEJC-BQFCYCMXSA-N	1	0	361.490	1.515	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)N2C3CCC2(C[NH3+])CC3)CCN1Cc1ccccc1	ZINC000892468856	784667154	/nfs/dbraw/zinc/66/71/54/784667154.db2.gz	DJTKNKIFPKWKES-QPIRBTGLSA-N	1	0	353.470	1.772	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1c1ccccc1	ZINC001211631970	784940956	/nfs/dbraw/zinc/94/09/56/784940956.db2.gz	ZTUOAHDGJNNXGH-FGTMMUONSA-N	1	0	360.479	1.029	20	30		FDEDRO
CC1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)CCCCC1	ZINC001112522085	784993154	/nfs/dbraw/zinc/99/31/54/784993154.db2.gz	DPOMRUUOFUMPBT-JXFKEZNVSA-N	1	0	360.502	1.815	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CCc2ccon2)C[C@H]1c1ccccc1	ZINC001211632499	785050846	/nfs/dbraw/zinc/05/08/46/785050846.db2.gz	FQNROAWASBOMKH-VQTJNVASSA-N	1	0	367.449	1.841	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC(=O)NCCCOC)C1	ZINC001111934036	785494970	/nfs/dbraw/zinc/49/49/70/785494970.db2.gz	HIVQONHDDMEDJS-PXNSSMCTSA-N	1	0	365.518	1.856	20	30		FDEDRO
N#Cc1ccccc1/C=C/C(=O)N1CCN(CC[N@@H+]2CCCOCC2)CC1	ZINC000376099264	785873081	/nfs/dbraw/zinc/87/30/81/785873081.db2.gz	CUDOPISGMOSKFK-VOTSOKGWSA-N	1	0	368.481	1.438	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCc3cnccn3)CC2)cc1	ZINC000376152711	786018904	/nfs/dbraw/zinc/01/89/04/786018904.db2.gz	SQOAJJRLYXHOAI-UHFFFAOYSA-N	1	0	364.453	1.808	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000978698222	805670851	/nfs/dbraw/zinc/67/08/51/805670851.db2.gz	RDOSJIYXDLZIIB-PWXKEOIMSA-N	1	0	357.458	1.241	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cccc(OCC)n3)C[C@H]21	ZINC000978709641	805683985	/nfs/dbraw/zinc/68/39/85/805683985.db2.gz	BDGNRYBNJCGYTQ-QQXKLLMISA-N	1	0	371.481	1.865	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cc(C4CC4)no3)C[C@H]21	ZINC000978724765	805700790	/nfs/dbraw/zinc/70/07/90/805700790.db2.gz	ANHOTIOAWXRQES-RXYDEIHYSA-N	1	0	357.454	1.937	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)COc3ccccc3OC)[C@H]2C1	ZINC001083272742	786574916	/nfs/dbraw/zinc/57/49/16/786574916.db2.gz	FABITMVKHDKIRI-QFBILLFUSA-N	1	0	360.454	1.952	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)CC(C)(C)C)C1	ZINC001111594061	786913546	/nfs/dbraw/zinc/91/35/46/786913546.db2.gz	VGJGECKVKADKLW-LIRRHRJNSA-N	1	0	364.490	1.405	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC000658902929	787157167	/nfs/dbraw/zinc/15/71/67/787157167.db2.gz	JBPCLSWYFIXHMZ-GOSISDBHSA-N	1	0	371.481	1.801	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)C1	ZINC000472568598	787474974	/nfs/dbraw/zinc/47/49/74/787474974.db2.gz	GMAAKVQASLQCRZ-SFHVURJKSA-N	1	0	372.469	1.247	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2CC3(CCC3)C2)C[C@H]1C	ZINC001104552990	787763638	/nfs/dbraw/zinc/76/36/38/787763638.db2.gz	RRPVRRMUYWROOV-BRWVUGGUSA-N	1	0	359.514	1.779	20	30		FDEDRO
N#CCOc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2C[C@H]2C(N)=O)cc1	ZINC001025084008	787773582	/nfs/dbraw/zinc/77/35/82/787773582.db2.gz	LSHRUSMGFSHEAI-NXHRZFHOSA-N	1	0	370.453	1.181	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1CNCc1nnnn1CCC	ZINC001025091012	787829652	/nfs/dbraw/zinc/82/96/52/787829652.db2.gz	XLMYVJWQPXVGCF-OAGGEKHMSA-N	1	0	362.478	1.145	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCNC(C)=O)C1	ZINC001104563770	787932449	/nfs/dbraw/zinc/93/24/49/787932449.db2.gz	UENFXHSRYSECSC-NZSAHSFTSA-N	1	0	367.534	1.816	20	30		FDEDRO
CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1	ZINC000376493534	788047997	/nfs/dbraw/zinc/04/79/97/788047997.db2.gz	AGJYKSKTMCOMEK-YZGWKJHDSA-N	1	0	357.454	1.773	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC2CC(OCC)C2)C[C@H]1C	ZINC001104573308	788196233	/nfs/dbraw/zinc/19/62/33/788196233.db2.gz	QPNPZCNZQDWCMX-RZZCCWGQSA-N	1	0	363.502	1.015	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2nc(C)c[nH]2)C[C@H]1c1ccccc1	ZINC001211685782	805881221	/nfs/dbraw/zinc/88/12/21/805881221.db2.gz	KAIFELQIEBLPEE-ZWKOTPCHSA-N	1	0	352.438	1.566	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCCO)C2)nn1	ZINC001211685926	805884603	/nfs/dbraw/zinc/88/46/03/805884603.db2.gz	MAUSEIXTGHZQDH-ZWKOTPCHSA-N	1	0	369.469	1.434	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3nnn(C)c3C2)C[C@H]1C	ZINC001104587076	788736231	/nfs/dbraw/zinc/73/62/31/788736231.db2.gz	FMNPAIXLOUKEGC-VHDGCEQUSA-N	1	0	365.909	1.747	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@@H](C)C(F)(F)F)C[C@H]1C	ZINC001104621501	788932098	/nfs/dbraw/zinc/93/20/98/788932098.db2.gz	UCOQWFXAKAXRFU-MGPQQGTHSA-N	1	0	363.424	1.951	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NC)C2)CC1	ZINC001104629817	789015799	/nfs/dbraw/zinc/01/57/99/789015799.db2.gz	LVLGKZOOQVPRNF-GDBMZVCRSA-N	1	0	364.490	1.263	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NC)C1	ZINC001104631708	789059071	/nfs/dbraw/zinc/05/90/71/789059071.db2.gz	XONSSPSPKGFPGC-LBTNJELSSA-N	1	0	352.479	1.119	20	30		FDEDRO
COC[C@@H](OC)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC#Cc2ccccc2)C1	ZINC001104648444	789161985	/nfs/dbraw/zinc/16/19/85/789161985.db2.gz	MNKJCGABCHPXPZ-MISYRCLQSA-N	1	0	358.482	1.774	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2ncn(C(C)(C)C)n2)C[C@H]1C	ZINC001104673560	789271579	/nfs/dbraw/zinc/27/15/79/789271579.db2.gz	BEFQHCUAFWYUNB-HZPDHXFCSA-N	1	0	363.506	1.924	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc[nH]c2C2CCC2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104676798	789318471	/nfs/dbraw/zinc/31/84/71/789318471.db2.gz	YMYFGOBLUQHSBR-GDBMZVCRSA-N	1	0	371.485	1.610	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC(F)(F)C(F)F)C[C@H]1C	ZINC001104681774	789346475	/nfs/dbraw/zinc/34/64/75/789346475.db2.gz	OOAHLSRYVAVLFL-VXGBXAGGSA-N	1	0	365.371	1.101	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CC[NH2+]Cc1cc(C#N)ccc1F	ZINC001104686532	789376808	/nfs/dbraw/zinc/37/68/08/789376808.db2.gz	HEGHCDBEAQWEGV-WNOSKKOXSA-N	1	0	372.444	1.393	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1	ZINC001104687148	789378477	/nfs/dbraw/zinc/37/84/77/789378477.db2.gz	YGNFPOUNNPAIRV-PILAGYSTSA-N	1	0	354.454	1.254	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCN(Cc3nccn3C)C2=O)cc1	ZINC000782977960	789543056	/nfs/dbraw/zinc/54/30/56/789543056.db2.gz	HFHHLVKTMISKHV-CRAIPNDOSA-N	1	0	367.453	1.992	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cc(C)ncn2)C1	ZINC001104703773	789551728	/nfs/dbraw/zinc/55/17/28/789551728.db2.gz	ABWNVULNTCVZBO-OPNNQBFTSA-N	1	0	358.486	1.950	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000415070494	791331310	/nfs/dbraw/zinc/33/13/10/791331310.db2.gz	QNGQMDWUZMZOFN-CQSZACIVSA-N	1	0	371.363	1.524	20	30		FDEDRO
C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1	ZINC000415174603	791556190	/nfs/dbraw/zinc/55/61/90/791556190.db2.gz	CWQZCXRWCFSSLX-UHFFFAOYSA-N	1	0	364.405	1.506	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CC23CCN(c2nccnc2C#N)CC3)CC[N@@H+]1C	ZINC001058655680	791694182	/nfs/dbraw/zinc/69/41/82/791694182.db2.gz	HDHVUJATQJPSNM-FMKPAKJESA-N	1	0	354.458	1.164	20	30		FDEDRO
C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1	ZINC000415293861	791853686	/nfs/dbraw/zinc/85/36/86/791853686.db2.gz	DXGSLJPLSYSKDF-AWEZNQCLSA-N	1	0	365.393	1.504	20	30		FDEDRO
N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1	ZINC000415317135	791922439	/nfs/dbraw/zinc/92/24/39/791922439.db2.gz	PGKONXOGIRQITN-CQSZACIVSA-N	1	0	365.393	1.552	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]1C	ZINC001104748190	792079454	/nfs/dbraw/zinc/07/94/54/792079454.db2.gz	ILTQFBQHMCBXSA-HUUCEWRRSA-N	1	0	360.520	1.086	20	30		FDEDRO
CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C(=O)Nc2ccc(C#N)cn2)cc1	ZINC000415391526	792165258	/nfs/dbraw/zinc/16/52/58/792165258.db2.gz	LTSHJAJYXMHWMZ-INIZCTEOSA-N	1	0	351.410	1.831	20	30		FDEDRO
COC(=O)c1cc(CN2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cn1C	ZINC000377548591	792177674	/nfs/dbraw/zinc/17/76/74/792177674.db2.gz	HWMMOPVKOIENCK-JLTOFOAXSA-N	1	0	364.405	1.657	20	30		FDEDRO
CC[C@H](C#N)Oc1cccc(CNC(=O)NCC[NH+]2CCC(O)CC2)c1	ZINC000892977406	792295561	/nfs/dbraw/zinc/29/55/61/792295561.db2.gz	QUHOMPSEZBBSFE-QGZVFWFLSA-N	1	0	360.458	1.623	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(C[NH2+]CC)CC2)cc1	ZINC000415473990	792327517	/nfs/dbraw/zinc/32/75/17/792327517.db2.gz	BFXBJVDPMQCNEL-UHFFFAOYSA-N	1	0	372.469	1.389	20	30		FDEDRO
CC(C)(C)OC(=O)NCCOCC[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000377646829	792403305	/nfs/dbraw/zinc/40/33/05/792403305.db2.gz	IBFKASATBBUPQP-UHFFFAOYSA-N	1	0	364.450	1.328	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1	ZINC000377665438	792458838	/nfs/dbraw/zinc/45/88/38/792458838.db2.gz	GWLMUFQZPNDRGS-CPUCHLNUSA-N	1	0	358.417	1.529	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)[C@@H](C)C[NH2+]1	ZINC000415566837	792539743	/nfs/dbraw/zinc/53/97/43/792539743.db2.gz	NEPPJGFLNBQVEJ-CVEARBPZSA-N	1	0	362.433	1.629	20	30		FDEDRO
Cn1cc([C@H]2[C@H](CNc3ncc([N+](=O)[O-])cc3C#N)CCC[N@@H+]2C)cn1	ZINC000377701771	792554299	/nfs/dbraw/zinc/55/42/99/792554299.db2.gz	KXEOVDFOWKIWLY-BLLLJJGKSA-N	1	0	355.402	2.090	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1	ZINC000415578578	792590794	/nfs/dbraw/zinc/59/07/94/792590794.db2.gz	PFKTXZKXIZMKQN-RDJZCZTQSA-N	1	0	362.433	1.616	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1	ZINC000415581010	792595636	/nfs/dbraw/zinc/59/56/36/792595636.db2.gz	MVTLHYQAISMFQD-JCGIZDLHSA-N	1	0	370.453	1.893	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1	ZINC000415583203	792615868	/nfs/dbraw/zinc/61/58/68/792615868.db2.gz	QOCRSULIGLDIFJ-BHYGNILZSA-N	1	0	370.453	1.127	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1OS(=O)(=O)CCCN1CC[NH+](C)CC1	ZINC000866880880	792691242	/nfs/dbraw/zinc/69/12/42/792691242.db2.gz	VJCXQMSWSPEVSY-UHFFFAOYSA-N	1	0	351.472	1.521	20	30		FDEDRO
C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000415623435	792714464	/nfs/dbraw/zinc/71/44/64/792714464.db2.gz	MKGSBKZMOGOSMQ-HNAYVOBHSA-N	1	0	362.433	1.534	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)ccc1C#N	ZINC000415666007	792774676	/nfs/dbraw/zinc/77/46/76/792774676.db2.gz	VQZUKVGGBQIVBE-UHFFFAOYSA-N	1	0	351.410	1.578	20	30		FDEDRO
CN(C[C@@H](O)C[NH3+])C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1	ZINC000415691937	792822092	/nfs/dbraw/zinc/82/20/92/792822092.db2.gz	GPSGXXDAILRYQM-HNNXBMFYSA-N	1	0	370.457	1.825	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H](c2ccsc2)N(C)C)nn1CCC#N	ZINC000270985429	792881582	/nfs/dbraw/zinc/88/15/82/792881582.db2.gz	CMMSVBNVXGCWGS-CQSZACIVSA-N	1	0	374.470	1.524	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1	ZINC000415736801	792901315	/nfs/dbraw/zinc/90/13/15/792901315.db2.gz	BQMAXOWDEWBBJD-ZIAGYGMSSA-N	1	0	371.441	1.001	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1C#N	ZINC000415745852	792918939	/nfs/dbraw/zinc/91/89/39/792918939.db2.gz	MWEYGAMSZKQDLG-DLBZAZTESA-N	1	0	370.453	1.788	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1	ZINC000415769411	792968258	/nfs/dbraw/zinc/96/82/58/792968258.db2.gz	XEGVLDTZYDVMOD-INIZCTEOSA-N	1	0	370.453	1.744	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCOCC)C1	ZINC001104757979	793483975	/nfs/dbraw/zinc/48/39/75/793483975.db2.gz	WZMKSVJLWFZSHR-QRQLOZEOSA-N	1	0	367.534	1.958	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1C	ZINC001104767672	793549251	/nfs/dbraw/zinc/54/92/51/793549251.db2.gz	BMOKPPUVSDQURZ-HUUCEWRRSA-N	1	0	359.536	1.355	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nccs3)C2)nn1	ZINC001104769068	793553501	/nfs/dbraw/zinc/55/35/01/793553501.db2.gz	BJINUOBYISDPMB-ZIAGYGMSSA-N	1	0	360.487	1.809	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ccn(C)n3)C2)nn1	ZINC001104769547	793557270	/nfs/dbraw/zinc/55/72/70/793557270.db2.gz	YKNVRIGBPDSGTI-HUUCEWRRSA-N	1	0	357.462	1.086	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCn3cccn3)C2)nn1	ZINC001104777923	793601971	/nfs/dbraw/zinc/60/19/71/793601971.db2.gz	ZYJQQXJFLBPEJP-IAGOWNOFSA-N	1	0	371.489	1.439	20	30		FDEDRO
C[C@H](Cc1ccco1)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104782827	793634343	/nfs/dbraw/zinc/63/43/43/793634343.db2.gz	WASFJAYRTWRWLG-BZUAXINKSA-N	1	0	360.458	1.172	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)C2CCOCC2)C[C@H]1C	ZINC001104804079	793768620	/nfs/dbraw/zinc/76/86/20/793768620.db2.gz	NJHPIRLUTBELQY-SJLPKXTDSA-N	1	0	365.518	1.570	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](OCC)c1ccccc1)C2	ZINC001111493310	793812950	/nfs/dbraw/zinc/81/29/50/793812950.db2.gz	OWHNOGHBRSMKEQ-XSYGEPLQSA-N	1	0	369.465	1.235	20	30		FDEDRO
COC(=O)[C@@H](c1cccc(C#N)c1)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000378298437	793912141	/nfs/dbraw/zinc/91/21/41/793912141.db2.gz	ZPTQXJCJGDTUKY-VQTJNVASSA-N	1	0	370.497	1.873	20	30		FDEDRO
CCC[C@@](C)(CC)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104842585	794018357	/nfs/dbraw/zinc/01/83/57/794018357.db2.gz	OIGJGSKYJPSLQG-GPMSIDNRSA-N	1	0	350.507	1.917	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cccc(-n3cncn3)n2)C[C@H]1C	ZINC001104852682	794077001	/nfs/dbraw/zinc/07/70/01/794077001.db2.gz	VNUPUKNZZWNLDU-HZPDHXFCSA-N	1	0	352.442	1.373	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CC(=O)NCC(F)(F)F)C[C@H]1C	ZINC001104852495	794077016	/nfs/dbraw/zinc/07/70/16/794077016.db2.gz	REWCGNKDEQWJJB-ZYHUDNBSSA-N	1	0	369.815	1.882	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2COCCN2C)C1	ZINC001087425743	806298953	/nfs/dbraw/zinc/29/89/53/806298953.db2.gz	QEKOJTWPJDYYDE-AQNXPRMDSA-N	1	0	355.482	1.315	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cc(-n3ccnc3)ccn2)C[C@H]1C	ZINC001104868698	794140433	/nfs/dbraw/zinc/14/04/33/794140433.db2.gz	NQGFMGYPBHGDSJ-IAGOWNOFSA-N	1	0	351.454	1.978	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1	ZINC000378449807	794160397	/nfs/dbraw/zinc/16/03/97/794160397.db2.gz	GNPALCASOZRPDB-NVXWUHKLSA-N	1	0	370.453	1.837	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC)C1	ZINC001104893458	794244073	/nfs/dbraw/zinc/24/40/73/794244073.db2.gz	YYQVPVNKOFOBBP-HUUCEWRRSA-N	1	0	360.458	1.080	20	30		FDEDRO
C#CCOc1ccc(C[NH2+][C@H]2CCCN(CCN3CCOCC3)C2=O)cc1	ZINC000378564561	794326281	/nfs/dbraw/zinc/32/62/81/794326281.db2.gz	CNNUXUYPFJSHPN-FQEVSTJZSA-N	1	0	371.481	1.111	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCn3cncn3)C2)nc1	ZINC001104923871	794419443	/nfs/dbraw/zinc/41/94/43/794419443.db2.gz	AMOZDOIHCNPHGD-NVXWUHKLSA-N	1	0	352.442	1.042	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCN3CCCC3=O)C2)cn1	ZINC001104926879	794426031	/nfs/dbraw/zinc/42/60/31/794426031.db2.gz	IGOTUMCIBXMCBD-SJLPKXTDSA-N	1	0	368.481	1.373	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCc3cnn(C)c3)C2)cn1	ZINC001104927797	794436744	/nfs/dbraw/zinc/43/67/44/794436744.db2.gz	UQALIQQQJCPFNN-VQIMIIECSA-N	1	0	365.481	1.727	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1	ZINC001104929046	794442306	/nfs/dbraw/zinc/44/23/06/794442306.db2.gz	YUAFMSVYFTWJEB-OLMNPRSZSA-N	1	0	354.454	1.411	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)C)C[C@H]1C	ZINC001104939413	794490929	/nfs/dbraw/zinc/49/09/29/794490929.db2.gz	OTDKTNDSVBQBGW-ZIAGYGMSSA-N	1	0	352.479	1.119	20	30		FDEDRO
CC1(C)[C@@H](NC(=[NH2+])NCCCN2CCOCC2)C[C@@H]1OCc1ccccc1	ZINC000184651256	794529320	/nfs/dbraw/zinc/52/93/20/794529320.db2.gz	GEDQDOLKKAGZFN-OALUTQOASA-N	1	0	374.529	1.997	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H]2CCCCO2)C1	ZINC001112068763	794699516	/nfs/dbraw/zinc/69/95/16/794699516.db2.gz	ORTBOBRPKMRZBJ-MGPQQGTHSA-N	1	0	350.381	1.737	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1	ZINC001104990216	794740996	/nfs/dbraw/zinc/74/09/96/794740996.db2.gz	MKWBFPDAXCRSOE-RHSMWYFYSA-N	1	0	357.458	1.191	20	30		FDEDRO
CC(C)C[C@@H](CNc1nccnc1C#N)NC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC001105002191	794831719	/nfs/dbraw/zinc/83/17/19/794831719.db2.gz	XLTMVQUBFWVMSO-IJEWVQPXSA-N	1	0	360.462	1.010	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cncc(C(N)=O)c2)C[C@H]1C	ZINC001105022872	794952614	/nfs/dbraw/zinc/95/26/14/794952614.db2.gz	HWJWRQSAISBLRR-HUUCEWRRSA-N	1	0	360.458	1.071	20	30		FDEDRO
CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C	ZINC001105045524	795047883	/nfs/dbraw/zinc/04/78/83/795047883.db2.gz	USNQOAKXFFXGLP-IEBWSBKVSA-N	1	0	355.482	1.639	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)c2ccccn2)C[C@H]1C	ZINC001105049037	795063037	/nfs/dbraw/zinc/06/30/37/795063037.db2.gz	UKYKMAJWBNUKKX-UKRRQHHQSA-N	1	0	364.877	1.638	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)N2CCCCC2=O)C[C@H]1C	ZINC001105054307	795075330	/nfs/dbraw/zinc/07/53/30/795075330.db2.gz	QHZFJXDQEAFWNI-KZNAEPCWSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ncnn2CCC)C1	ZINC001105085220	795201880	/nfs/dbraw/zinc/20/18/80/795201880.db2.gz	GCVPUXWLZVWOPD-IAGOWNOFSA-N	1	0	363.506	1.855	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC2CCC2)C1	ZINC001105089996	795232938	/nfs/dbraw/zinc/23/29/38/795232938.db2.gz	DUCOIHYOZILNQI-SOLBZPMBSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)N(C)C(C)C)C1	ZINC001105090154	795233692	/nfs/dbraw/zinc/23/36/92/795233692.db2.gz	LMUDAWDGMQKDAW-KZNAEPCWSA-N	1	0	367.534	1.909	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C(C)C)C1	ZINC001105090336	795234100	/nfs/dbraw/zinc/23/41/00/795234100.db2.gz	RFJIORZVDNNVJT-BRWVUGGUSA-N	1	0	353.507	1.519	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1	ZINC001105100249	795283024	/nfs/dbraw/zinc/28/30/24/795283024.db2.gz	ITCVXOWDBIWSCF-CRAIPNDOSA-N	1	0	356.470	1.788	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1CC[NH2+]Cc1ccccc1C#N	ZINC001105100475	795290630	/nfs/dbraw/zinc/29/06/30/795290630.db2.gz	VIUWMZQRXNMBEL-CRAIPNDOSA-N	1	0	356.470	1.788	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2(C)C(C)(C)C2(C)C)C[C@H]1C	ZINC001105115396	795330120	/nfs/dbraw/zinc/33/01/20/795330120.db2.gz	FLWKHLNFWRLGJV-HZPDHXFCSA-N	1	0	361.530	1.882	20	30		FDEDRO
N#CCC[C@H](NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1	ZINC000417918202	795422353	/nfs/dbraw/zinc/42/23/53/795422353.db2.gz	OSXBOZQUQJGTEO-SJORKVTESA-N	1	0	357.458	1.528	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCC([NH2+]CCN2CCCC2=O)CC1	ZINC001026496079	795456367	/nfs/dbraw/zinc/45/63/67/795456367.db2.gz	JFHICCXTPIAMLR-HIEASXQVSA-N	1	0	363.502	1.607	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2csc(=O)[nH]2)C[C@H]1c1ccccc1	ZINC001211655233	795518079	/nfs/dbraw/zinc/51/80/79/795518079.db2.gz	DOXPLELVOBZFOM-JKSUJKDBSA-N	1	0	371.462	1.696	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC([NH2+]Cc2cccc(C(N)=O)c2)CC1	ZINC001026563928	795558109	/nfs/dbraw/zinc/55/81/09/795558109.db2.gz	OJSDOKIYKRLDJA-GMNCBBECSA-N	1	0	371.481	1.894	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CCC([NH2+]Cc2cnn(C)n2)CC1	ZINC001026574119	795577967	/nfs/dbraw/zinc/57/79/67/795577967.db2.gz	INTGGXKIUUJUIC-RLNQZENFSA-N	1	0	361.490	1.703	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCc2nn(CC)nc2C)C1	ZINC001112093664	795782403	/nfs/dbraw/zinc/78/24/03/795782403.db2.gz	HKGMZWKPOHDDPF-UKRRQHHQSA-N	1	0	371.407	1.889	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCC(=O)NC1(C#N)CCCCC1	ZINC000364347612	795796062	/nfs/dbraw/zinc/79/60/62/795796062.db2.gz	OFEMHFXWDBFHDS-KURKYZTESA-N	1	0	362.518	1.808	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCO[C@H]3CC)C2)nn1	ZINC001105288104	795818717	/nfs/dbraw/zinc/81/87/17/795818717.db2.gz	DFFSCNQIQCNRFA-QGTPRVQTSA-N	1	0	361.490	1.921	20	30		FDEDRO
Cc1ccc(-n2nc(CCCNC(=O)N[C@@H]3CC[NH2+]C3)c(C#N)c2N)cc1	ZINC000418386380	795851560	/nfs/dbraw/zinc/85/15/60/795851560.db2.gz	QBVWLXHPOXOWOY-CQSZACIVSA-N	1	0	367.457	1.228	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1c1ccccc1	ZINC001211657333	795866543	/nfs/dbraw/zinc/86/65/43/795866543.db2.gz	BLJNTVBISYTEOZ-IPMKNSEASA-N	1	0	371.481	1.394	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCCOC)C1	ZINC001112101002	796022375	/nfs/dbraw/zinc/02/23/75/796022375.db2.gz	SZHSVYWXCOKNRD-MGPQQGTHSA-N	1	0	350.381	1.430	20	30		FDEDRO
C=C(C)Cn1c(-c2ncon2)nnc1N1CC[NH+](CC2CCOCC2)CC1	ZINC000909334464	796234715	/nfs/dbraw/zinc/23/47/15/796234715.db2.gz	UDNKSUNQKJCMDM-UHFFFAOYSA-N	1	0	373.461	1.453	20	30		FDEDRO
C=C(C)Cn1c(-c2ncon2)nnc1N1CCC(C)([NH+]2CCOCC2)CC1	ZINC000909335275	796244296	/nfs/dbraw/zinc/24/42/96/796244296.db2.gz	MRXXKBYFQSFMGE-UHFFFAOYSA-N	1	0	373.461	1.595	20	30		FDEDRO
C=C(C)Cn1c(-c2ncon2)nnc1N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000909335343	796245077	/nfs/dbraw/zinc/24/50/77/796245077.db2.gz	NKNISOVPTXGBNW-AWEZNQCLSA-N	1	0	361.450	1.451	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000979865321	806552104	/nfs/dbraw/zinc/55/21/04/806552104.db2.gz	XIBHFBVLKQCNLT-ZFZWDLNGSA-N	1	0	357.458	1.241	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCC[NH2+]1	ZINC000662440089	806616496	/nfs/dbraw/zinc/61/64/96/806616496.db2.gz	WYNVDYYKAGRRGN-GOSISDBHSA-N	1	0	363.483	1.218	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCC(C(=O)NCCCOCC)CC2)CCC[NH2+]1	ZINC000662482679	806734373	/nfs/dbraw/zinc/73/43/73/806734373.db2.gz	DEYYURKGDZALFU-LJQANCHMSA-N	1	0	351.491	1.466	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCN(C(=O)c3cccc(OC)c3)CC2)CCC[NH2+]1	ZINC000662494087	806771894	/nfs/dbraw/zinc/77/18/94/806771894.db2.gz	VZEIPJWTUCSCIZ-FQEVSTJZSA-N	1	0	357.454	1.678	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cccc(C(N)=O)c2)C1	ZINC001026849930	800016867	/nfs/dbraw/zinc/01/68/67/800016867.db2.gz	JEHLBHRPRLTDET-UHOSZYNNSA-N	1	0	371.481	1.705	20	30		FDEDRO
N#Cc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1	ZINC001026962096	800336147	/nfs/dbraw/zinc/33/61/47/800336147.db2.gz	BBBNLZKBLGDRPC-ROMHJBHXSA-N	1	0	351.450	1.920	20	30		FDEDRO
C=CC[C@@]1(C(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)CCC[NH2+]1	ZINC000662533662	806834326	/nfs/dbraw/zinc/83/43/26/806834326.db2.gz	BPAYPXUIELVNAY-QRWLVFNGSA-N	1	0	373.453	1.126	20	30		FDEDRO
C=CC[C@]1(C(=O)Nc2ncn(CC(=O)NCc3ccccc3)n2)CCC[NH2+]1	ZINC000662550998	806843989	/nfs/dbraw/zinc/84/39/89/806843989.db2.gz	SJEGNLYXQAGJFI-LJQANCHMSA-N	1	0	368.441	1.231	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CCC[NH2+]1	ZINC000662569007	806847501	/nfs/dbraw/zinc/84/75/01/806847501.db2.gz	UIQFIYLWSPVPPD-MOPGFXCFSA-N	1	0	356.426	1.056	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1	ZINC000975318199	801132713	/nfs/dbraw/zinc/13/27/13/801132713.db2.gz	OVYMWTBPUWPXPL-KSZLIROESA-N	1	0	363.502	1.418	20	30		FDEDRO
CCC(C)(C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC#N)C1	ZINC001211662111	801138991	/nfs/dbraw/zinc/13/89/91/801138991.db2.gz	SFVMJUHLTSUHGB-DLBZAZTESA-N	1	0	356.470	1.647	20	30		FDEDRO
C=CC[C@@]1(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)CCC[NH2+]1	ZINC000662672209	806944722	/nfs/dbraw/zinc/94/47/22/806944722.db2.gz	XPHFVVULQIAJQC-NRFANRHFSA-N	1	0	370.497	1.904	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC(NC(=O)C2CC[NH+](C)CC2)CC1	ZINC000980325581	806952903	/nfs/dbraw/zinc/95/29/03/806952903.db2.gz	HIXKXJSHOCRCDB-HIEASXQVSA-N	1	0	363.502	1.463	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@@H]32)c1	ZINC000975718540	802120033	/nfs/dbraw/zinc/12/00/33/802120033.db2.gz	JFUOZLRFMHDLOZ-SCTDSRPQSA-N	1	0	366.465	1.078	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2CCN(C(=O)C#CC3CC3)[C@H]2C1	ZINC000975777723	802327699	/nfs/dbraw/zinc/32/76/99/802327699.db2.gz	JGWKGRWYOODRTK-OTWHNJEPSA-N	1	0	357.498	1.724	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CCN(C(=O)[C@H]4CCC[N@H+]4C)[C@H]3C2)cn1	ZINC000975836087	802552509	/nfs/dbraw/zinc/55/25/09/802552509.db2.gz	IIKUZGZCVOTMDJ-IPELMVKDSA-N	1	0	366.465	1.220	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]3C2)cn1	ZINC000975837224	802555767	/nfs/dbraw/zinc/55/57/67/802555767.db2.gz	RKFZHTXSGYNJMB-IPELMVKDSA-N	1	0	368.481	1.466	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCc1ccc(CC[NH2+][C@H]2CCNC2=O)cc1	ZINC001027254724	802639197	/nfs/dbraw/zinc/63/91/97/802639197.db2.gz	MAVFICQSCLWNGQ-QYZOEREBSA-N	1	0	371.481	1.305	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2conc2C)C[C@H]1c1ccccc1	ZINC001211664216	802770062	/nfs/dbraw/zinc/77/00/62/802770062.db2.gz	RBQKEMBYRNPELW-PKOBYXMFSA-N	1	0	353.422	1.831	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3CCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)c1	ZINC000975997133	802824629	/nfs/dbraw/zinc/82/46/29/802824629.db2.gz	ZGYIEQCZTHQXEM-HKUYNNGSSA-N	1	0	366.465	1.222	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCCO2)CC1	ZINC000976212482	803070144	/nfs/dbraw/zinc/07/01/44/803070144.db2.gz	ICHQQLOOMPJZJH-KURKYZTESA-N	1	0	361.486	1.054	20	30		FDEDRO
C=CC[C@@]1(C(=O)Nc2cccc(CN3CCN(C(C)=O)CC3)c2)CCC[NH2+]1	ZINC000662800468	803328624	/nfs/dbraw/zinc/32/86/24/803328624.db2.gz	QOFJZWKJQUQQTE-NRFANRHFSA-N	1	0	370.497	1.988	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H](OC)C(C)C)C[C@H]1c1ccccc1	ZINC001211666716	803340570	/nfs/dbraw/zinc/34/05/70/803340570.db2.gz	JTNGYZMEHHEOQP-XUVXKRRUSA-N	1	0	358.482	1.891	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C2(CC)CC2)C[C@H]1c1ccccc1	ZINC001211667044	803393398	/nfs/dbraw/zinc/39/33/98/803393398.db2.gz	SNGLMRKTJJCIHS-YTQUADARSA-N	1	0	367.493	1.899	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC000976467878	803399467	/nfs/dbraw/zinc/39/94/67/803399467.db2.gz	RESYLXVTOOFKSZ-JFIYKMOQSA-N	1	0	371.485	1.918	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)CCC[NH2+]1	ZINC000662812135	803427044	/nfs/dbraw/zinc/42/70/44/803427044.db2.gz	QXBKECKXQVLIFW-INIZCTEOSA-N	1	0	373.425	1.058	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[N@@H+](C)C2)c1	ZINC000976697693	803770335	/nfs/dbraw/zinc/77/03/35/803770335.db2.gz	RDFNNGCNZHAFMN-CGTJXYLNSA-N	1	0	354.454	1.172	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1	ZINC000423166141	814985871	/nfs/dbraw/zinc/98/58/71/814985871.db2.gz	CKEIDSLCNWCPGE-DLBZAZTESA-N	1	0	357.454	1.278	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1c1ccccc1	ZINC001211669327	804057028	/nfs/dbraw/zinc/05/70/28/804057028.db2.gz	UQQXRYCKTQQAEL-DOTOQJQBSA-N	1	0	358.417	1.949	20	30		FDEDRO
C=CCN(Cc1ccccc1F)C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1	ZINC000423179127	814989985	/nfs/dbraw/zinc/98/99/85/814989985.db2.gz	HCOAEAMSLCAPTD-FQEVSTJZSA-N	1	0	359.445	1.942	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1	ZINC000423179813	814990407	/nfs/dbraw/zinc/99/04/07/814990407.db2.gz	AEZQJYNDHVEVET-ZWKOTPCHSA-N	1	0	352.438	1.141	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CC(=O)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1	ZINC000909368072	804266580	/nfs/dbraw/zinc/26/65/80/804266580.db2.gz	RLBCYOKWYBUHQB-SFHVURJKSA-N	1	0	368.481	1.531	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1	ZINC000423214725	815004758	/nfs/dbraw/zinc/00/47/58/815004758.db2.gz	MZQGCJHIDPMKPI-CJNGLKHVSA-N	1	0	360.414	1.305	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)C1([NH+](C)C)CCC1	ZINC000977797651	804954128	/nfs/dbraw/zinc/95/41/28/804954128.db2.gz	UEUVRPLDEMWFSF-ZACQAIPSSA-N	1	0	363.502	1.511	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@@H](C)C(=O)N(C)C)C2)c1	ZINC001112527259	805155156	/nfs/dbraw/zinc/15/51/56/805155156.db2.gz	WEOHFDZZVUNXAT-XERREHJYSA-N	1	0	368.481	1.372	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1	ZINC000978103188	805179862	/nfs/dbraw/zinc/17/98/62/805179862.db2.gz	DQQNNBBQUWJROQ-ZTFGCOKTSA-N	1	0	354.454	1.076	20	30		FDEDRO
C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)nc1	ZINC000978098354	805195390	/nfs/dbraw/zinc/19/53/90/805195390.db2.gz	POZOSFOHYPDBSE-JENIJYKNSA-N	1	0	368.481	1.466	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCc3nc[nH]c31)C2	ZINC001112527581	805553786	/nfs/dbraw/zinc/55/37/86/805553786.db2.gz	MMYODJAMMQVBAV-FIKGOQFSSA-N	1	0	370.497	1.698	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1	ZINC000980384603	806989591	/nfs/dbraw/zinc/98/95/91/806989591.db2.gz	YTKIFWHZSKOALN-BACDZXNISA-N	1	0	361.486	1.217	20	30		FDEDRO
CC#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@]2(C)CCNC(=O)C2)C1	ZINC001087430404	807051169	/nfs/dbraw/zinc/05/11/69/807051169.db2.gz	MXDWCAAWPOTNJO-WOIUINJBSA-N	1	0	367.493	1.900	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3cc(C)n[nH]3)C2)CC1	ZINC000980992749	807398447	/nfs/dbraw/zinc/39/84/47/807398447.db2.gz	HRUBAEKGJDVMBP-DOTOQJQBSA-N	1	0	371.485	1.078	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1	ZINC000981175335	807649237	/nfs/dbraw/zinc/64/92/37/807649237.db2.gz	KVPAVGKYHGERLL-RRFJBIMHSA-N	1	0	357.458	1.243	20	30		FDEDRO
C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1	ZINC000423569539	815139540	/nfs/dbraw/zinc/13/95/40/815139540.db2.gz	YDLGQGSYDRVVDU-BEFAXECRSA-N	1	0	366.465	1.760	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C2CC2)cc1	ZINC000423569426	815140265	/nfs/dbraw/zinc/14/02/65/815140265.db2.gz	MLMNFCKTEKKOFN-CGTJXYLNSA-N	1	0	352.438	1.245	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2coc(C)c2)C1	ZINC000981224002	807756138	/nfs/dbraw/zinc/75/61/38/807756138.db2.gz	UKIADNCFCPTDRJ-JQHSSLGASA-N	1	0	357.454	1.700	20	30		FDEDRO
C[C@H]([NH3+])C1CCN(C(=O)C(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1	ZINC000423575388	815145066	/nfs/dbraw/zinc/14/50/66/815145066.db2.gz	VOHGCOMUEVQPHR-AWEZNQCLSA-N	1	0	354.454	1.635	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)c[nH]1	ZINC000981412092	808026397	/nfs/dbraw/zinc/02/63/97/808026397.db2.gz	GNHGEHHFYSBWHU-FDQGKXFDSA-N	1	0	369.469	1.243	20	30		FDEDRO
CCCN(C(=O)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)[C@H]1CC[NH2+]C1	ZINC000423643015	815175275	/nfs/dbraw/zinc/17/52/75/815175275.db2.gz	CLBULZAYTQPYAO-ROUUACIJSA-N	1	0	370.453	1.059	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3cocc3C)C2)CC1	ZINC000981544886	808116264	/nfs/dbraw/zinc/11/62/64/808116264.db2.gz	UNACZZVPMPLHGG-FUHWJXTLSA-N	1	0	371.481	1.948	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CC[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)c1	ZINC000981651792	808278569	/nfs/dbraw/zinc/27/85/69/808278569.db2.gz	ZETFBXSHTLZAHH-QFBILLFUSA-N	1	0	368.481	1.419	20	30		FDEDRO
C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1	ZINC000423702054	815200834	/nfs/dbraw/zinc/20/08/34/815200834.db2.gz	XPEIUROZALDDPL-NRSFXHEJSA-N	1	0	354.454	1.480	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)COCc2ncnn2C)C[C@H]1c1ccccc1	ZINC001211700848	808494072	/nfs/dbraw/zinc/49/40/72/808494072.db2.gz	YPGZDLVQANHEMG-DLBZAZTESA-N	1	0	355.442	1.102	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)n1	ZINC000279270112	808680141	/nfs/dbraw/zinc/68/01/41/808680141.db2.gz	RPGAWOVEKXRMCM-IAGOWNOFSA-N	1	0	361.490	1.547	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1cccc(C(=O)NC)c1	ZINC001028146408	808684901	/nfs/dbraw/zinc/68/49/01/808684901.db2.gz	FPCXLKOCTFFONA-QRVBRYPASA-N	1	0	371.481	1.718	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)c1	ZINC000279311012	808866382	/nfs/dbraw/zinc/86/63/82/808866382.db2.gz	NIUKQOOCQYSMOL-OAHLLOKOSA-N	1	0	355.438	1.318	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cnc2C)C[C@H]1c1ccccc1	ZINC001211713805	809076811	/nfs/dbraw/zinc/07/68/11/809076811.db2.gz	UNPULDSQJJFKSH-AZUAARDMSA-N	1	0	366.465	1.495	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H](C[NH3+])C1CCCC1	ZINC000418613929	809077385	/nfs/dbraw/zinc/07/73/85/809077385.db2.gz	GEVQNOPOQGTBAM-DZGCQCFKSA-N	1	0	357.462	1.086	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000418615037	809079393	/nfs/dbraw/zinc/07/93/93/809079393.db2.gz	LIERUYLSVCBIKW-HNNXBMFYSA-N	1	0	369.391	1.536	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)N[C@H](C[NH3+])C3CCCC3)CC2)cc1	ZINC000418632511	809089567	/nfs/dbraw/zinc/08/95/67/809089567.db2.gz	ZADKKXFHVJSKNZ-LJQANCHMSA-N	1	0	355.486	1.903	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)C[C@H]1c1ccccc1	ZINC001211715731	809140886	/nfs/dbraw/zinc/14/08/86/809140886.db2.gz	LLFDGHKFHSTKHH-ZWKOTPCHSA-N	1	0	369.469	1.051	20	30		FDEDRO
CC[C@@H]([NH3+])CNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000418739052	809171355	/nfs/dbraw/zinc/17/13/55/809171355.db2.gz	YAHRJUOFWADUEE-GFCCVEGCSA-N	1	0	358.402	1.375	20	30		FDEDRO
Cc1cc(C)cc(NC(=O)CN2C[C@@H]3CCN(C(=O)[C@H](C)C#N)[C@@H]3C2)c1	ZINC001075621118	809181270	/nfs/dbraw/zinc/18/12/70/809181270.db2.gz	OUMLBGHMRDKJIS-SOLBZPMBSA-N	1	0	354.454	1.934	20	30		FDEDRO
C=CCN(C(=O)NCc1cccnc1N1CC[NH+](C)CC1)[C@H](C)COC	ZINC000663828916	809314742	/nfs/dbraw/zinc/31/47/42/809314742.db2.gz	BCEYNFQDZXAOIR-MRXNPFEDSA-N	1	0	361.490	1.566	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cc4ccon4)[C@@H]3C2)cc1C#N	ZINC001075624394	809315432	/nfs/dbraw/zinc/31/54/32/809315432.db2.gz	HKBKAYYVJNQELY-MAUKXSAKSA-N	1	0	366.421	1.830	20	30		FDEDRO
COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)NCC(C)(C)CC#N)cc1	ZINC000418975402	809357107	/nfs/dbraw/zinc/35/71/07/809357107.db2.gz	SRJZZJOKKVVGLI-IAGOWNOFSA-N	1	0	372.469	1.313	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CNC(=O)c2ccccn2)C[C@H]1c1ccccc1	ZINC001211725959	809386357	/nfs/dbraw/zinc/38/63/57/809386357.db2.gz	BNRXWGIWNPCYNX-PKOBYXMFSA-N	1	0	364.449	1.582	20	30		FDEDRO
C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000419107153	809564570	/nfs/dbraw/zinc/56/45/70/809564570.db2.gz	DVFSXROQDIJZNU-QWHCGFSZSA-N	1	0	367.371	1.382	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CN2C(=O)CNC2=O)C1	ZINC001087442857	809767500	/nfs/dbraw/zinc/76/75/00/809767500.db2.gz	FPYXHJLMAICMHM-IAGOWNOFSA-N	1	0	370.453	1.089	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C(C)=O)C[C@H]1c1ccccc1	ZINC001211732516	809796346	/nfs/dbraw/zinc/79/63/46/809796346.db2.gz	LSGGDDVWUKJRPM-XUVXKRRUSA-N	1	0	353.466	1.605	20	30		FDEDRO
CCN1CCO[C@@H](C(=O)N[C@@H]2CN(CC#N)CC[C@@H]2c2ccccc2)C1	ZINC001087443892	809804912	/nfs/dbraw/zinc/80/49/12/809804912.db2.gz	LXLPFMRYVSDBFL-GUDVDZBRSA-N	1	0	356.470	1.205	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O	ZINC000424168582	815322167	/nfs/dbraw/zinc/32/21/67/815322167.db2.gz	IONFJBCWVKGWEE-HOTGVXAUSA-N	1	0	364.396	1.593	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1	ZINC000424185133	815320295	/nfs/dbraw/zinc/32/02/95/815320295.db2.gz	FJIHKOWHCWISDU-GJZGRUSLSA-N	1	0	356.405	1.536	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCn2cncn2)C1	ZINC001211736009	809924644	/nfs/dbraw/zinc/92/46/44/809924644.db2.gz	CDFKJQPYJUUEMF-YTQUADARSA-N	1	0	369.469	1.453	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)N2CCC2)C1	ZINC001211736109	809925279	/nfs/dbraw/zinc/92/52/79/809925279.db2.gz	IDORQIRZBYZDMP-YTQUADARSA-N	1	0	371.481	1.394	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](CCCC)NC(N)=O)C[C@H]1c1ccccc1	ZINC001211736064	809925376	/nfs/dbraw/zinc/92/53/76/809925376.db2.gz	FZQAUSMPYVKDMD-RCCFBDPRSA-N	1	0	358.486	1.984	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2cn(C)nn2)C[C@H]1c1ccccc1	ZINC001211738562	809932693	/nfs/dbraw/zinc/93/26/93/809932693.db2.gz	IRMBRTKVWQZLIU-RBUKOAKNSA-N	1	0	353.470	1.908	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)NC(=O)C2CCC2)C[C@H]1c1ccccc1	ZINC001211738597	809933204	/nfs/dbraw/zinc/93/32/04/809933204.db2.gz	KMUOMLLHMHQYLG-LSTHTHJFSA-N	1	0	367.493	1.899	20	30		FDEDRO
C[C@H]1CC[N@H+](CCNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000894100315	809977536	/nfs/dbraw/zinc/97/75/36/809977536.db2.gz	YPYGXRRSYQHLDX-MAUKXSAKSA-N	1	0	369.469	1.695	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ncn(C)n2)C1	ZINC001087454854	810053665	/nfs/dbraw/zinc/05/36/65/810053665.db2.gz	MYJHOMWKORLKNT-IAGOWNOFSA-N	1	0	355.417	1.565	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1	ZINC001087455313	810069595	/nfs/dbraw/zinc/06/95/95/810069595.db2.gz	NBQCVGBISPHUHH-QXAKKESOSA-N	1	0	371.456	1.601	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](c2nccn2C)C(C)(C)CO)CC1	ZINC000664017105	810176237	/nfs/dbraw/zinc/17/62/37/810176237.db2.gz	UDZFMJFILMJIKW-INIZCTEOSA-N	1	0	363.506	1.819	20	30		FDEDRO
CC(C)(C#N)CNC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	ZINC000512890299	810359504	/nfs/dbraw/zinc/35/95/04/810359504.db2.gz	PZLLHKLPEBMHSN-UHFFFAOYSA-N	1	0	363.506	1.560	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](CCn3cccn3)C[C@]2(C)C1	ZINC000982575098	810418106	/nfs/dbraw/zinc/41/81/06/810418106.db2.gz	UPSSXLCRJDFVOO-BWPNAZKDSA-N	1	0	358.486	1.645	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC(=O)NC2CCCC2)C1	ZINC001028549034	810617005	/nfs/dbraw/zinc/61/70/05/810617005.db2.gz	KSEFSABAPVRDSW-JQHSSLGASA-N	1	0	363.502	1.465	20	30		FDEDRO
CC[NH+](CC)CCOCCNC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1	ZINC000894163652	810635624	/nfs/dbraw/zinc/63/56/24/810635624.db2.gz	CXJLZCIZXTWZLE-LJQANCHMSA-N	1	0	374.485	2.000	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN2CC[C@@H](CNC(=O)[C@]34C[C@H]3COC4)C2)c1	ZINC001028554758	810648096	/nfs/dbraw/zinc/64/80/96/810648096.db2.gz	LYENVIPNWYMLMH-FIKGOQFSSA-N	1	0	367.449	1.081	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N1CCC[C@@H](CC(N)=O)C1	ZINC000261752280	810706209	/nfs/dbraw/zinc/70/62/09/810706209.db2.gz	LXDPPFVJORQTIM-ONIAQPFYSA-N	1	0	362.518	1.887	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cn2cc(C3CC3)cn2)C[C@H]1C(F)(F)F	ZINC001112124584	810836944	/nfs/dbraw/zinc/83/69/44/810836944.db2.gz	MZDXMZGAEGPHFA-HUUCEWRRSA-N	1	0	354.376	1.763	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnc3ccccn32)C[C@H]1C(F)(F)F	ZINC001112124784	810864348	/nfs/dbraw/zinc/86/43/48/810864348.db2.gz	XIFRDOXBNCMMNX-CHWSQXEVSA-N	1	0	350.344	1.950	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1	ZINC001087464101	811196972	/nfs/dbraw/zinc/19/69/72/811196972.db2.gz	SWVRUBZYJPTMEN-QXAKKESOSA-N	1	0	371.456	1.649	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCc4ccccc4C3)C[C@@H]2O)c1	ZINC001083392776	811208738	/nfs/dbraw/zinc/20/87/38/811208738.db2.gz	YHCYHRARHOFPJY-KPOBHBOGSA-N	1	0	364.449	1.466	20	30		FDEDRO
C[NH+]=C(NC[C@H](OC)c1ccccc1)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261753675	811311324	/nfs/dbraw/zinc/31/13/24/811311324.db2.gz	NPSIEKCFLKUGPW-KRWDZBQOSA-N	1	0	370.457	1.032	20	30		FDEDRO
C[NH+]=C(NCc1nnc(C)n1C)N[C@@H]1CCCN(c2ccc(F)cc2C)C1	ZINC000261961331	811354264	/nfs/dbraw/zinc/35/42/64/811354264.db2.gz	KHEASFIFVQSGGN-MRXNPFEDSA-N	1	0	373.480	1.905	20	30		FDEDRO
C[NH+]=C(NCc1ccc(F)cc1F)N[C@@H]1CCc2nc(COC)nn2C1	ZINC000261962417	811355090	/nfs/dbraw/zinc/35/50/90/811355090.db2.gz	KQDVJGHOSPRIAX-CYBMUJFWSA-N	1	0	364.400	1.383	20	30		FDEDRO
Cc1nnc(CNC(=[NH+]C2CC2)N2CC[C@@H](Oc3ccccn3)C2)n1C	ZINC000261969328	811356877	/nfs/dbraw/zinc/35/68/77/811356877.db2.gz	MJGNZUNSCDHWGE-OAHLLOKOSA-N	1	0	355.446	1.280	20	30		FDEDRO
C[NH+]=C(NCc1nnc(C)n1C)N[C@@H]1CCCN(c2cccc(OC)c2)C1	ZINC000262000619	811364016	/nfs/dbraw/zinc/36/40/16/811364016.db2.gz	UGXWIRRHLALXLZ-OAHLLOKOSA-N	1	0	371.489	1.466	20	30		FDEDRO
C[NH+]=C(NCc1cnc(N(C)C)n1C)N1CC[C@@H](Oc2ccccn2)C1	ZINC000262004607	811364970	/nfs/dbraw/zinc/36/49/70/811364970.db2.gz	VHHLSTQTUWSHOQ-OAHLLOKOSA-N	1	0	357.462	1.110	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCCC(=O)N2)C[C@H]1C(F)(F)F	ZINC001112128687	811417154	/nfs/dbraw/zinc/41/71/54/811417154.db2.gz	WZCHBVGPZAONFF-BFHYXJOUSA-N	1	0	361.408	1.990	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@H]1CCN(c2ccccn2)C1)=[NH+]C1CCCC1	ZINC000262315083	811439397	/nfs/dbraw/zinc/43/93/97/811439397.db2.gz	QLJPBSOQTBMLRN-INIZCTEOSA-N	1	0	358.490	1.226	20	30		FDEDRO
CN(C)C(=O)CNC(NC1CCC(O)(c2ccccc2)CC1)=[NH+]C1CC1	ZINC000262355048	811448925	/nfs/dbraw/zinc/44/89/25/811448925.db2.gz	ZPZUBZKJNXDIRK-UHFFFAOYSA-N	1	0	358.486	1.603	20	30		FDEDRO
C[NH+]=C(NCc1cn2c(n1)CCCC2)NCC1(C(=O)N(C)C)CCCC1	ZINC000262454003	811471184	/nfs/dbraw/zinc/47/11/84/811471184.db2.gz	FCZXKQOYJRHGQB-UHFFFAOYSA-N	1	0	360.506	1.533	20	30		FDEDRO
CC[NH+]=C(NCCn1ccnc1C)N1CCN(C(=O)c2ccco2)CC1	ZINC000262525414	811485400	/nfs/dbraw/zinc/48/54/00/811485400.db2.gz	GILYHZJEEQYAFL-UHFFFAOYSA-N	1	0	358.446	1.208	20	30		FDEDRO
[NH2+]=C(NC[C@H]1CCOc2ccccc21)N1CCN(c2ncccn2)CC1	ZINC000262544908	811489721	/nfs/dbraw/zinc/48/97/21/811489721.db2.gz	UQBOXRWECYTMGS-OAHLLOKOSA-N	1	0	352.442	1.480	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cn2nccn2)C1	ZINC001087465378	811493080	/nfs/dbraw/zinc/49/30/80/811493080.db2.gz	LMVBLDXAWOEKHG-QZTJIDSGSA-N	1	0	357.433	1.968	20	30		FDEDRO
CC#CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[C@H]2CCNC2=O)C1	ZINC001087465552	811509075	/nfs/dbraw/zinc/50/90/75/811509075.db2.gz	VHAYDJGTHFXTCQ-BHIYHBOVSA-N	1	0	371.456	1.649	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1	ZINC001028605617	811513066	/nfs/dbraw/zinc/51/30/66/811513066.db2.gz	ZAADTGHZPBULDT-YEWWUXTCSA-N	1	0	361.417	1.439	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](CNC(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000982865912	811747594	/nfs/dbraw/zinc/74/75/94/811747594.db2.gz	KBVXSDPMZTWNII-AYOQOUSVSA-N	1	0	357.498	1.342	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCC2(C#N)CCC2)c1	ZINC000419436218	811952675	/nfs/dbraw/zinc/95/26/75/811952675.db2.gz	DOQNYSOZHWSANR-UHFFFAOYSA-N	1	0	357.458	1.471	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1	ZINC000419465367	811976403	/nfs/dbraw/zinc/97/64/03/811976403.db2.gz	OWAIPJZHMRSWSR-UHFFFAOYSA-N	1	0	370.453	1.044	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+]	ZINC000420011524	813394143	/nfs/dbraw/zinc/39/41/43/813394143.db2.gz	HALJXYATUFYBSN-MSOLQXFVSA-N	1	0	356.470	1.931	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C	ZINC000420044475	813420961	/nfs/dbraw/zinc/42/09/61/813420961.db2.gz	TTZMIHPSILNDLK-RHSMWYFYSA-N	1	0	372.469	1.524	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+]	ZINC000420064869	813448521	/nfs/dbraw/zinc/44/85/21/813448521.db2.gz	PAJXAPISWWNMLD-SJLPKXTDSA-N	1	0	359.470	1.844	20	30		FDEDRO
CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1	ZINC000420171397	813526862	/nfs/dbraw/zinc/52/68/62/813526862.db2.gz	TWMRATZSEBIAEY-QGZVFWFLSA-N	1	0	370.453	1.042	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1	ZINC000420206414	813538089	/nfs/dbraw/zinc/53/80/89/813538089.db2.gz	JSIDMNXBHWDNSZ-GUDVDZBRSA-N	1	0	368.481	1.801	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C2CC2)cc1	ZINC000420196605	813547100	/nfs/dbraw/zinc/54/71/00/813547100.db2.gz	AQSBQBCVMLIDPR-OKZBNKHCSA-N	1	0	366.465	1.554	20	30		FDEDRO
O=C(C[C@@H]1COC(=O)C1)N1CC[C@H]2CN(CC#Cc3ccccc3)C[C@H]21	ZINC001075685309	813791471	/nfs/dbraw/zinc/79/14/71/813791471.db2.gz	VLMGRMAVJVPZAQ-GBESFXJTSA-N	1	0	352.434	1.524	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(Cl)cc1)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261830293	813840200	/nfs/dbraw/zinc/84/02/00/813840200.db2.gz	VJQHSSHLAIQRDI-UHFFFAOYSA-N	1	0	374.876	1.888	20	30		FDEDRO
N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@H]3OCC(=O)N[C@H]3C1)CCC2	ZINC000366799888	813976003	/nfs/dbraw/zinc/97/60/03/813976003.db2.gz	IJMWUULCCNQPBO-UONOGXRCSA-N	1	0	374.466	1.026	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NCc1cccc(C#N)c1	ZINC000421424476	814134891	/nfs/dbraw/zinc/13/48/91/814134891.db2.gz	XGSWKJYKQNESHR-UHFFFAOYSA-N	1	0	370.478	1.826	20	30		FDEDRO
C[NH+](C)CCOc1cccc(CNC(=O)C(=O)NCC(C)(C)CC#N)c1	ZINC000421411476	814145135	/nfs/dbraw/zinc/14/51/35/814145135.db2.gz	XVLOJDCRHXLVLL-UHFFFAOYSA-N	1	0	360.458	1.299	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C[C@@H]4COC(=O)C4)[C@@H]3C2)cc1	ZINC001075688072	814217410	/nfs/dbraw/zinc/21/74/10/814217410.db2.gz	QUFQMQZRDIXODY-OKZBNKHCSA-N	1	0	353.422	1.544	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C[C@H]4COC(=O)C4)[C@@H]3C2)cc1	ZINC001075688071	814217539	/nfs/dbraw/zinc/21/75/39/814217539.db2.gz	QUFQMQZRDIXODY-FGTMMUONSA-N	1	0	353.422	1.544	20	30		FDEDRO
CCOCCC[NH+]=C(NCCCOCCO)NCc1ccc(OC)cc1	ZINC000272382496	814678793	/nfs/dbraw/zinc/67/87/93/814678793.db2.gz	JKLPXTVUDZEDTG-UHFFFAOYSA-N	1	0	367.490	1.556	20	30		FDEDRO
CCOCCC[NH+]=C(NCc1ccc(OC)cc1)NC[C@H](COC)OC	ZINC000272655713	814771236	/nfs/dbraw/zinc/77/12/36/814771236.db2.gz	RCUBLVRTABUWKS-GOSISDBHSA-N	1	0	367.490	1.818	20	30		FDEDRO
COC(=O)c1cn(C2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)nn1	ZINC000273568226	814796884	/nfs/dbraw/zinc/79/68/84/814796884.db2.gz	FPRBCPPAHUNVSO-UHFFFAOYSA-N	1	0	355.398	1.804	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CCc2ccon2)C[C@H]1C(F)(F)F	ZINC001112130236	814800299	/nfs/dbraw/zinc/80/02/99/814800299.db2.gz	IQGSGUBBFWESPM-ZIAGYGMSSA-N	1	0	359.348	1.236	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1	ZINC000505463311	815660609	/nfs/dbraw/zinc/66/06/09/815660609.db2.gz	AHKDELUZECPQPV-BEFAXECRSA-N	1	0	367.490	1.721	20	30		FDEDRO
C[C@@H](CC[NH+](C)C)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O	ZINC000505503975	815756013	/nfs/dbraw/zinc/75/60/13/815756013.db2.gz	YLNYNXMWXSRMAO-BBRMVZONSA-N	1	0	371.441	1.220	20	30		FDEDRO
Cc1cc(NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c(C#N)cn1	ZINC000425226613	815823021	/nfs/dbraw/zinc/82/30/21/815823021.db2.gz	NHQKTGSEZNKFMW-SFHVURJKSA-N	1	0	363.465	1.993	20	30		FDEDRO
C[N@H+](CCc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000514614941	815904529	/nfs/dbraw/zinc/90/45/29/815904529.db2.gz	MGHREBJGTBAMOY-GOSISDBHSA-N	1	0	370.478	1.891	20	30		FDEDRO
C=CCN1CCC([NH2+]C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1	ZINC000515055565	816084677	/nfs/dbraw/zinc/08/46/77/816084677.db2.gz	WYJXPBZNRXNGAV-QGZVFWFLSA-N	1	0	358.442	1.104	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)NCC[NH2+]C2CCCCCC2)cc1	ZINC000515059543	816087710	/nfs/dbraw/zinc/08/77/10/816087710.db2.gz	APRIKOIHMQSHSB-UHFFFAOYSA-N	1	0	356.470	1.797	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C4=CCOCC4)[C@@H]3C2)cc1C#N	ZINC001075719588	816128744	/nfs/dbraw/zinc/12/87/44/816128744.db2.gz	SVMNCKBDKJDCOH-PKOBYXMFSA-N	1	0	367.449	1.946	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCn2cc(Cl)cn2)C1	ZINC001028861049	816291021	/nfs/dbraw/zinc/29/10/21/816291021.db2.gz	JPUZOQBPJPKIPP-PVAVHDDUSA-N	1	0	366.893	1.956	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCn2cc(Cl)cn2)C1	ZINC001028861050	816291091	/nfs/dbraw/zinc/29/10/91/816291091.db2.gz	JPUZOQBPJPKIPP-XIRDDKMYSA-N	1	0	366.893	1.956	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(CNC(C)=O)cc2)c1C#N	ZINC000516151528	816664672	/nfs/dbraw/zinc/66/46/72/816664672.db2.gz	VYYALYZWNSKQQZ-UHFFFAOYSA-N	1	0	354.414	1.322	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)/C=C/c4ccc[nH]4)[C@@H]3C2)C1=O	ZINC001075731077	816753200	/nfs/dbraw/zinc/75/32/00/816753200.db2.gz	UMNUCJDIGHTXMV-WAPNHWMOSA-N	1	0	354.454	1.348	20	30		FDEDRO
C=CCN(C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[C@@H](C)COC	ZINC000664624978	817026018	/nfs/dbraw/zinc/02/60/18/817026018.db2.gz	JHDOFYRVIVOOFL-QFBILLFUSA-N	1	0	361.486	1.986	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@](C(N)=O)(c4ccccc4)C3)C2=O)cc1	ZINC000517086012	817209375	/nfs/dbraw/zinc/20/93/75/817209375.db2.gz	DBUHBQIMBGQWGO-SIKLNZKXSA-N	1	0	374.444	1.793	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@](C(N)=O)(c4ccccc4)C3)C2=O)cc1	ZINC000517086010	817209511	/nfs/dbraw/zinc/20/95/11/817209511.db2.gz	DBUHBQIMBGQWGO-DENIHFKCSA-N	1	0	374.444	1.793	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000425872567	817265083	/nfs/dbraw/zinc/26/50/83/817265083.db2.gz	OMNKNOLOBYULBZ-JLSDUUJJSA-N	1	0	354.454	1.821	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000425870292	817271321	/nfs/dbraw/zinc/27/13/21/817271321.db2.gz	WCUCNQDLRNMUOD-BZSNNMDCSA-N	1	0	357.454	1.084	20	30		FDEDRO
C[NH+](C)C[C@H](O)COc1ccc(NC(=O)Nc2ccn(CCC#N)n2)cc1	ZINC000438317995	817538599	/nfs/dbraw/zinc/53/85/99/817538599.db2.gz	ZLLNJIYRZIAUKK-HNNXBMFYSA-N	1	0	372.429	1.742	20	30		FDEDRO
C[NH+]1CCC(C(=O)N[C@@H]2CN(CC#N)CC[C@@H]2c2ccc(F)cc2)CC1	ZINC001087467089	817734435	/nfs/dbraw/zinc/73/44/35/817734435.db2.gz	DIQFNVHEZZPUAW-RTBURBONSA-N	1	0	358.461	1.965	20	30		FDEDRO
Cc1nnc(CNC(NC2CCN(c3ccccn3)CC2)=[NH+]C2CC2)n1C	ZINC000261977897	817889598	/nfs/dbraw/zinc/88/95/98/817889598.db2.gz	ODJZQXBDDGLLTL-UHFFFAOYSA-N	1	0	368.489	1.385	20	30		FDEDRO
CCOc1ccc([C@@H]2CCN(CC#N)C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2C)cc1	ZINC001087470842	818037622	/nfs/dbraw/zinc/03/76/22/818037622.db2.gz	ZPQVXVVXHMGDOT-SLFFLAALSA-N	1	0	370.497	1.977	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)[C@@H]2C1	ZINC000894422301	818048207	/nfs/dbraw/zinc/04/82/07/818048207.db2.gz	IVGYAAREMJGJJY-RCCFBDPRSA-N	1	0	367.453	1.005	20	30		FDEDRO
COC(=O)[C@@H]1[C@@H](C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1(F)F	ZINC000894556089	818176404	/nfs/dbraw/zinc/17/64/04/818176404.db2.gz	UHAYFORIBQJIAT-KFWWJZLASA-N	1	0	363.364	1.303	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2COC(=O)N2)C1	ZINC001087474063	818245147	/nfs/dbraw/zinc/24/51/47/818245147.db2.gz	KGRLXVIVAQCPSU-OKZBNKHCSA-N	1	0	371.437	1.101	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)Cn2ncnn2)C1	ZINC001087474388	818260399	/nfs/dbraw/zinc/26/03/99/818260399.db2.gz	AYSLSRFDQOABOH-ROUUACIJSA-N	1	0	370.457	1.232	20	30		FDEDRO
COc1ccc([C@@H]2CCN(CC#N)C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C)cc1	ZINC001087474982	818294997	/nfs/dbraw/zinc/29/49/97/818294997.db2.gz	KAZMVDGPTIJMTO-UFYCRDLUSA-N	1	0	370.497	1.977	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2c[nH]c(=O)n2C)C1	ZINC001087475224	818304849	/nfs/dbraw/zinc/30/48/49/818304849.db2.gz	YIKXQKUHZVYTMC-IRXDYDNUSA-N	1	0	370.453	1.908	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@]2(C)CCNC2=O)C1	ZINC001087475892	818339756	/nfs/dbraw/zinc/33/97/56/818339756.db2.gz	IQKLPOSWUHNOLI-WFXMLNOXSA-N	1	0	371.481	1.682	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)C(N)=O)C1	ZINC001087477966	818483462	/nfs/dbraw/zinc/48/34/62/818483462.db2.gz	SBZZSHLVKNOUJF-HOCLYGCPSA-N	1	0	363.433	1.560	20	30		FDEDRO
C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)COc2ccc(C#N)cc2)cc1	ZINC000426870716	818577016	/nfs/dbraw/zinc/57/70/16/818577016.db2.gz	FQTBNUKTZYETNN-QGZVFWFLSA-N	1	0	369.421	1.877	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)c2nnc(CC)[nH]2)C1	ZINC000983698377	818593225	/nfs/dbraw/zinc/59/32/25/818593225.db2.gz	LUYAIGCRVUHCEA-QCODTGAPSA-N	1	0	361.490	1.894	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cncc(OC)n2)C1	ZINC000983697211	818594918	/nfs/dbraw/zinc/59/49/18/818594918.db2.gz	BHRLJCIZAGRORL-SRABZTEZSA-N	1	0	360.458	1.451	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]C[C@H]1CCNC(=O)CC1	ZINC001167985467	818751115	/nfs/dbraw/zinc/75/11/15/818751115.db2.gz	ICSXRDYZXDWEQZ-RYRKJORJSA-N	1	0	351.491	1.370	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]Cc1noc2c1COCC2	ZINC001167986157	818794551	/nfs/dbraw/zinc/79/45/51/818794551.db2.gz	ZHCPXRACXZVQCR-KSSFIOAISA-N	1	0	363.458	1.715	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](C[C@H](O)c3ccc(F)cc3F)C[C@H]21	ZINC001075770999	819013363	/nfs/dbraw/zinc/01/33/63/819013363.db2.gz	QSIVRHJLLSJCHB-KYNGSXCRSA-N	1	0	360.404	1.944	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(=O)[nH]n2)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087491779	819132169	/nfs/dbraw/zinc/13/21/69/819132169.db2.gz	OTUWMNRQNCKVHM-DZGCQCFKSA-N	1	0	357.439	1.898	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C(C)C)C[C@H]1C(F)(F)F	ZINC001112152210	819251563	/nfs/dbraw/zinc/25/15/63/819251563.db2.gz	NCTQDKMNZPAGKO-MCIONIFRSA-N	1	0	359.392	1.388	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](CNC(=O)NCc2cccnc2N2CCOCC2)C1	ZINC000328652730	819522529	/nfs/dbraw/zinc/52/25/29/819522529.db2.gz	BWYZJRDSYIUJGF-MRXNPFEDSA-N	1	0	361.490	1.654	20	30		FDEDRO
O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000328719264	819531674	/nfs/dbraw/zinc/53/16/74/819531674.db2.gz	QDNOTAJWHSRAQC-YQVWRLOYSA-N	1	0	367.490	1.283	20	30		FDEDRO
O=C(NC1CC[NH+](Cc2ccncc2)CC1)N1CCN(C2CC2)C(=O)C1	ZINC000328707530	819538101	/nfs/dbraw/zinc/53/81/01/819538101.db2.gz	LUSMRYFQGAYNLR-UHFFFAOYSA-N	1	0	357.458	1.267	20	30		FDEDRO
O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CCN(C(=O)Cc2ccccc2)C1	ZINC000328889715	819578870	/nfs/dbraw/zinc/57/88/70/819578870.db2.gz	RBFMJKMQVWOLKQ-MSOLQXFVSA-N	1	0	370.497	1.818	20	30		FDEDRO
NC(=O)N[C@@H]1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1	ZINC000328942625	819584531	/nfs/dbraw/zinc/58/45/31/819584531.db2.gz	UCZXWJGJQFKFAT-OAHLLOKOSA-N	1	0	367.494	1.135	20	30		FDEDRO
CC(=O)N1CC[C@H](C(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C)CC2)C1	ZINC000328948329	819585866	/nfs/dbraw/zinc/58/58/66/819585866.db2.gz	BTONIFWWTTVCRD-INIZCTEOSA-N	1	0	372.469	1.921	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1	ZINC000330574885	819626323	/nfs/dbraw/zinc/62/63/23/819626323.db2.gz	LUOOKHVTWRWYBT-GPMSIDNRSA-N	1	0	364.490	1.000	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1	ZINC000330811561	819644199	/nfs/dbraw/zinc/64/41/99/819644199.db2.gz	BVZDXMWODKGELY-QKLQHJQFSA-N	1	0	363.550	1.530	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3CCC[C@H]3O)cn2)CC1	ZINC000329844210	819647566	/nfs/dbraw/zinc/64/75/66/819647566.db2.gz	XPPNCSKGBPXFOY-DLBZAZTESA-N	1	0	361.490	1.388	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000459051600	819903556	/nfs/dbraw/zinc/90/35/56/819903556.db2.gz	YAWJJYLNJPMBRP-HCXYKTFWSA-N	1	0	364.534	1.920	20	30		FDEDRO
C=CCn1cc(-c2nc(-c3ccc(N4CC[NH+](CC)CC4)nc3)no2)nn1	ZINC000351339871	819990572	/nfs/dbraw/zinc/99/05/72/819990572.db2.gz	HHNSLENSCGSALA-UHFFFAOYSA-N	1	0	366.429	1.718	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](OC)C(C)C)C[C@H]1C(F)(F)F	ZINC001112157920	820100448	/nfs/dbraw/zinc/10/04/48/820100448.db2.gz	KHAOVVPGCWYSGA-MCIONIFRSA-N	1	0	350.381	1.286	20	30		FDEDRO
O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H]2CN(CC#Cc3ccccc3)C[C@H]21	ZINC001075800398	820498360	/nfs/dbraw/zinc/49/83/60/820498360.db2.gz	WOXPHXUNGMIYKC-BHDDXSALSA-N	1	0	363.505	1.913	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2nnn(C)c2C)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087528616	820594782	/nfs/dbraw/zinc/59/47/82/820594782.db2.gz	RCJJCLFSOJHOJU-DLBZAZTESA-N	1	0	352.442	1.778	20	30		FDEDRO
CN(c1cccc(F)c1C#N)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1	ZINC000521013530	821047034	/nfs/dbraw/zinc/04/70/34/821047034.db2.gz	LTXZUAXPZLZRGP-UHFFFAOYSA-N	1	0	373.476	1.372	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(NC(C)=O)c2C)CC1	ZINC000442259333	821100133	/nfs/dbraw/zinc/10/01/33/821100133.db2.gz	BXFPGFXYTNSJMS-UHFFFAOYSA-N	1	0	358.442	1.659	20	30		FDEDRO
CCOC(=O)Cn1cc(C[NH2+][C@@H]2CCCN(O)C2=O)c(-c2ccccc2)n1	ZINC000895158119	821184480	/nfs/dbraw/zinc/18/44/80/821184480.db2.gz	WTZSISWPODVOLN-MRXNPFEDSA-N	1	0	372.425	1.583	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(C(=O)NCc2cccc(C#N)c2)CC1	ZINC000474033973	821205226	/nfs/dbraw/zinc/20/52/26/821205226.db2.gz	RKILBSRUFQYTMJ-UHFFFAOYSA-N	1	0	351.410	1.994	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NCc1ccc(NC(=O)C(F)(F)F)nc1	ZINC000909489396	821300997	/nfs/dbraw/zinc/30/09/97/821300997.db2.gz	FECPLCLICCARAC-LBPRGKRZSA-N	1	0	354.332	1.296	20	30		FDEDRO
C[C@@H](C#N)CNC(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000521657914	821327773	/nfs/dbraw/zinc/32/77/73/821327773.db2.gz	RIZKXIOFLZDICX-PKOBYXMFSA-N	1	0	355.486	1.748	20	30		FDEDRO
Cc1ncc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)s1	ZINC000445612474	828338110	/nfs/dbraw/zinc/33/81/10/828338110.db2.gz	LMTFYEPVTJKBRM-UHFFFAOYSA-N	1	0	371.466	1.852	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C2CN(C(C)=O)C2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087554470	821426746	/nfs/dbraw/zinc/42/67/46/821426746.db2.gz	IOAIFDVDEUQEIP-RBUKOAKNSA-N	1	0	354.454	1.506	20	30		FDEDRO
CO[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1NC(=O)CCn1cccn1	ZINC001211877994	821567440	/nfs/dbraw/zinc/56/74/40/821567440.db2.gz	JWFBWVBZTWONHW-RTBURBONSA-N	1	0	352.438	1.140	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCC(=O)NC2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087599267	821675253	/nfs/dbraw/zinc/67/52/53/821675253.db2.gz	UWGPARYVYYLVLP-HSALFYBXSA-N	1	0	367.493	1.924	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H]2CCCC[C@@H]2C(N)=O)cc1	ZINC000445775494	828364007	/nfs/dbraw/zinc/36/40/07/828364007.db2.gz	QUZCFTOULUCBHM-ROUUACIJSA-N	1	0	372.469	1.966	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc3n(n2)CCO3)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087603645	821743027	/nfs/dbraw/zinc/74/30/27/821743027.db2.gz	AGWOMTJAIORTCE-FUHWJXTLSA-N	1	0	365.437	1.930	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cn[nH]c(=O)c2)CC[N@@H+]1Cc1ccc(F)c(C#N)c1	ZINC001087613639	821748188	/nfs/dbraw/zinc/74/81/88/821748188.db2.gz	AIUBLPYHDJZLGN-DLBZAZTESA-N	1	0	369.400	1.976	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCO[C@H]1c1ccccc1	ZINC001168085708	828376470	/nfs/dbraw/zinc/37/64/70/828376470.db2.gz	LMZKOKVVJVBXQJ-NXHRZFHOSA-N	1	0	359.470	1.551	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000984261375	822005443	/nfs/dbraw/zinc/00/54/43/822005443.db2.gz	QTDILUIRPRBUHA-VNQPRFMTSA-N	1	0	357.458	1.290	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCC(=O)NC2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087696130	822085904	/nfs/dbraw/zinc/08/59/04/822085904.db2.gz	IPPQSTUJCPIJCV-JQVVWYNYSA-N	1	0	367.493	1.924	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@]2(C)CCC(=O)NC2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087696229	822086059	/nfs/dbraw/zinc/08/60/59/822086059.db2.gz	MWGUGWLCNGWHCP-WAOWUJCRSA-N	1	0	368.481	1.944	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)CC[N@@H+]1Cc1ccc(C#N)c(F)c1	ZINC001087713386	822170357	/nfs/dbraw/zinc/17/03/57/822170357.db2.gz	JXEZBHNQPZHCBF-DOTOQJQBSA-N	1	0	371.416	1.919	20	30		FDEDRO
C[C@H](Nc1c(C#N)cnc2c(F)c(F)c(F)cc21)[C@@H]1C[N@H+](C)CCN1C	ZINC000895245949	822233607	/nfs/dbraw/zinc/23/36/07/822233607.db2.gz	KFPJLQJBQLTGQU-HZMBPMFUSA-N	1	0	363.387	1.992	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)CC[N@@H+]1CC#Cc1ccc(F)cc1	ZINC001087759089	822373385	/nfs/dbraw/zinc/37/33/85/822373385.db2.gz	BEWRJJOCWCPGMO-GBESFXJTSA-N	1	0	371.456	1.815	20	30		FDEDRO
COC(=O)COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)cc1	ZINC000469787645	822407685	/nfs/dbraw/zinc/40/76/85/822407685.db2.gz	QSQARIKFNZYFHC-KBPBESRZSA-N	1	0	359.426	1.840	20	30		FDEDRO
COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N1C[C@H]([NH+]3CCCC3)C[C@@H]1C)CC2	ZINC000329580179	822430388	/nfs/dbraw/zinc/43/03/88/822430388.db2.gz	WTWCTFZQBGHUKT-RRFJBIMHSA-N	1	0	362.478	1.212	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)Cc2nc[nH]n2)CC[N@@H+]1Cc1cc(C#N)ccc1OC	ZINC001087788751	822436425	/nfs/dbraw/zinc/43/64/25/822436425.db2.gz	FNENQZYFYNGHIK-JKSUJKDBSA-N	1	0	368.441	1.397	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC000984413402	822506594	/nfs/dbraw/zinc/50/65/94/822506594.db2.gz	WGNQMUOTASTZEG-BBWFWOEESA-N	1	0	361.486	1.123	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)Cn2ccnc2)CC[N@@H+]1Cc1ccc(OC)c(C#N)c1	ZINC001087847768	822583273	/nfs/dbraw/zinc/58/32/73/822583273.db2.gz	PYLLUOLINXIFID-ZWKOTPCHSA-N	1	0	367.453	1.933	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087850697	822600128	/nfs/dbraw/zinc/60/01/28/822600128.db2.gz	RDJZUFMRERCHIY-YESZJQIVSA-N	1	0	368.437	1.080	20	30		FDEDRO
C[C@@H]1[C@H](NC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CCC[N@@H+]1C	ZINC000474183059	822620965	/nfs/dbraw/zinc/62/09/65/822620965.db2.gz	OBMKENVEYLWFNZ-ZTFGCOKTSA-N	1	0	354.454	1.648	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCc4ccccc43)C[C@@H]2O)c[nH]1	ZINC001083418455	822632502	/nfs/dbraw/zinc/63/25/02/822632502.db2.gz	KHTKURZLEHTNSH-QYZOEREBSA-N	1	0	350.422	1.739	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCC3(F)F)C[C@@H]2O)c[nH]1	ZINC001083418660	822639275	/nfs/dbraw/zinc/63/92/75/822639275.db2.gz	UFGKVUUHRVJXAV-CFVMTHIKSA-N	1	0	352.385	1.487	20	30		FDEDRO
N#Cc1c(N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)cccc1S(N)(=O)=O	ZINC000895567962	822659076	/nfs/dbraw/zinc/65/90/76/822659076.db2.gz	VEXCLCCHKKUNIZ-KBPBESRZSA-N	1	0	352.485	1.197	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CN(C)CCc2ccccc2)c1C#N	ZINC000895598166	822664079	/nfs/dbraw/zinc/66/40/79/822664079.db2.gz	NXNSODMYNUZEIP-UHFFFAOYSA-N	1	0	354.458	1.546	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NCC[C@@H](O)C3CC3)CC2)c1	ZINC000895594054	822667051	/nfs/dbraw/zinc/66/70/51/822667051.db2.gz	GKKVOGTXOGNOJA-LJQANCHMSA-N	1	0	356.470	1.983	20	30		FDEDRO
C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCCN(C(=O)CC)C3)[C@@H]2C1	ZINC001075824567	822682570	/nfs/dbraw/zinc/68/25/70/822682570.db2.gz	FDKYIKBNMYUQII-ARFHVFGLSA-N	1	0	353.894	1.920	20	30		FDEDRO
C[NH+]=C(NCC(=O)N(C)C)NCc1nn(-c2ccccc2)c2c1CCC2	ZINC000262243877	822740546	/nfs/dbraw/zinc/74/05/46/822740546.db2.gz	PIMWMJBESNVAKO-UHFFFAOYSA-N	1	0	354.458	1.114	20	30		FDEDRO
C#CCN1CCC(Nc2ccc(C(=O)CC)cc2S(=O)(=O)NC)CC1	ZINC000895812866	822756152	/nfs/dbraw/zinc/75/61/52/822756152.db2.gz	WKRLZPXNSUXUQV-UHFFFAOYSA-N	1	0	363.483	1.697	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cncs4)C[C@@H]3C2)C1=O	ZINC001087899889	822763807	/nfs/dbraw/zinc/76/38/07/822763807.db2.gz	PDDNIRJFNJRFIL-ILXRZTDVSA-N	1	0	360.483	1.324	20	30		FDEDRO
Cc1c(CC(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)cnn1C	ZINC001075869527	828542393	/nfs/dbraw/zinc/54/23/93/828542393.db2.gz	XAAJDPLPDZASRQ-AZUAARDMSA-N	1	0	363.465	1.876	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc4c3OCCO4)CC[C@@H]2C1	ZINC001087909403	823754546	/nfs/dbraw/zinc/75/45/46/823754546.db2.gz	KVWDQRYWFGWOJT-UXLLHSPISA-N	1	0	355.438	1.898	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCC(=O)N4)C[C@@H]3C2)cc1F	ZINC001087910174	823760676	/nfs/dbraw/zinc/76/06/76/823760676.db2.gz	RVNGJPNKXVLLIH-SOLBZPMBSA-N	1	0	370.428	1.256	20	30		FDEDRO
CN1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC#Cc4ccccc4)CC[C@@H]3C2)C1	ZINC001087920538	823873794	/nfs/dbraw/zinc/87/37/94/823873794.db2.gz	SODJFUAFVWKNSV-HKBOAZHASA-N	1	0	367.493	1.149	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1	ZINC000896000504	823909609	/nfs/dbraw/zinc/90/96/09/823909609.db2.gz	NYTYNFCUWKXMER-OALUTQOASA-N	1	0	353.466	1.667	20	30		FDEDRO
C#CCN1CCC[C@H]([NH2+]C2CCN(CCNC(=O)OC(C)(C)C)CC2)C1	ZINC000896044122	823976842	/nfs/dbraw/zinc/97/68/42/823976842.db2.gz	XJCCNDLIIVHGGC-SFHVURJKSA-N	1	0	364.534	1.663	20	30		FDEDRO
N#Cc1cc(C(=O)N2C[C@@H]3C[N@@H+](C[C@@H]4CCc5ncnn54)CC[C@@H]3C2)c[nH]1	ZINC001087940121	824035148	/nfs/dbraw/zinc/03/51/48/824035148.db2.gz	SBKNEAWPPBKQJW-KMFMINBZSA-N	1	0	365.441	1.059	20	30		FDEDRO
CN1CCOC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)CC[C@@H]2C1	ZINC001087940561	824037196	/nfs/dbraw/zinc/03/71/96/824037196.db2.gz	NWCWASYKKOSGTI-HSALFYBXSA-N	1	0	368.481	1.169	20	30		FDEDRO
C[C@@H](c1cnccn1)[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C1	ZINC001087940715	824037571	/nfs/dbraw/zinc/03/75/71/824037571.db2.gz	UMPFUQPQRHMISO-LZWOXQAQSA-N	1	0	350.426	1.831	20	30		FDEDRO
N#Cc1cc(C(=O)N2C[C@@H]3C[N@H+](CCO[C@H]4CC4(F)F)CC[C@@H]3C2)c[nH]1	ZINC001087941222	824039818	/nfs/dbraw/zinc/03/98/18/824039818.db2.gz	REHZSVFSPKZVAS-INWMFGNUSA-N	1	0	364.396	1.704	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cncc(OC)n2)C1	ZINC001029845367	828605262	/nfs/dbraw/zinc/60/52/62/828605262.db2.gz	FLKUPLQCVLCTSZ-UAGQMJEPSA-N	1	0	360.458	1.357	20	30		FDEDRO
N#Cc1cccc(OC2CCN(C(=O)C3C[NH+]([C@H]4CCOC4)C3)CC2)c1	ZINC000896178936	824158788	/nfs/dbraw/zinc/15/87/88/824158788.db2.gz	VVVNRODCQIVGSR-KRWDZBQOSA-N	1	0	355.438	1.649	20	30		FDEDRO
O=C(CO[C@H]1CCOC1)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001087964635	824218260	/nfs/dbraw/zinc/21/82/60/824218260.db2.gz	UGEVWLGCOGAZNB-HKBOAZHASA-N	1	0	368.477	1.624	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cn(C)nc3C)CC[C@@H]2C1	ZINC001087970325	824291791	/nfs/dbraw/zinc/29/17/91/824291791.db2.gz	QEFNOVLAWVQVET-MDNKFWRPSA-N	1	0	372.513	1.990	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)CC[C@@H]2C1	ZINC001087978717	824340006	/nfs/dbraw/zinc/34/00/06/824340006.db2.gz	PKNLEYXCVJAXHB-RDBSUJKOSA-N	1	0	367.877	1.351	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3c(CC)c(CC)n[nH]c3=O)C[C@@H]2C1	ZINC001087984917	824467349	/nfs/dbraw/zinc/46/73/49/824467349.db2.gz	WUMKAXYFZQHTKT-CABCVRRESA-N	1	0	356.470	1.724	20	30		FDEDRO
COc1ccc(CNC(=O)CN2CCO[C@@H]3CC[N@H+](C)C[C@H]32)cc1OC	ZINC000329046760	824546710	/nfs/dbraw/zinc/54/67/10/824546710.db2.gz	VECFDCYEQWPPOL-HZPDHXFCSA-N	1	0	363.458	1.565	20	30		FDEDRO
CCC(=O)N1CCC[C@H](C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)C1	ZINC000329053028	824548662	/nfs/dbraw/zinc/54/86/62/824548662.db2.gz	AFJSSBBCXPYONK-GOEBONIOSA-N	1	0	364.490	1.287	20	30		FDEDRO
C=C(Cl)CN1C[C@@H]2CCN(C(=O)Cc3nnn(C(C)(C)C)n3)[C@@H]2C1	ZINC001075829628	824602002	/nfs/dbraw/zinc/60/20/02/824602002.db2.gz	GCHYMCMGIAGIPI-QWHCGFSZSA-N	1	0	352.870	1.256	20	30		FDEDRO
Cc1noc([C@@H]2CN(C(=O)NC[C@H]3CCC[N@@H+](C(C)C)C3)CCN2C)n1	ZINC000329134189	824617897	/nfs/dbraw/zinc/61/78/97/824617897.db2.gz	PYYSHMCPDIDPJQ-CVEARBPZSA-N	1	0	364.494	1.701	20	30		FDEDRO
Cn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)cnc21	ZINC000329134738	824618119	/nfs/dbraw/zinc/61/81/19/824618119.db2.gz	BXIDNIDXERRHCX-GFCCVEGCSA-N	1	0	357.414	1.356	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cnc4ccccc4n3)CC2)C1=O	ZINC000329157343	824633243	/nfs/dbraw/zinc/63/32/43/824633243.db2.gz	DDNBWABWGOBWCX-QGZVFWFLSA-N	1	0	353.426	1.630	20	30		FDEDRO
CCc1noc(CC)c1CC(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1	ZINC000329158568	824633740	/nfs/dbraw/zinc/63/37/40/824633740.db2.gz	DNGPORVVZBAAIY-MRXNPFEDSA-N	1	0	362.474	1.994	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)COc3ccccc3C#N)CC2)C1=O	ZINC000329186773	824653859	/nfs/dbraw/zinc/65/38/59/824653859.db2.gz	PXHFALBZRSLNOJ-INIZCTEOSA-N	1	0	356.426	1.589	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCNC(=O)[C@@H]1c1ccccc1	ZINC000329196575	824661319	/nfs/dbraw/zinc/66/13/19/824661319.db2.gz	VWSTXQMHEIXNHU-WBVHZDCISA-N	1	0	359.474	1.550	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCNC(=O)[C@H]1c1ccccc1	ZINC000329196574	824661709	/nfs/dbraw/zinc/66/17/09/824661709.db2.gz	VWSTXQMHEIXNHU-NVXWUHKLSA-N	1	0	359.474	1.550	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cc4ccccc4[nH]c3=O)CC2)C1=O	ZINC000329204633	824665182	/nfs/dbraw/zinc/66/51/82/824665182.db2.gz	XPCHKMYFKDKJSM-QGZVFWFLSA-N	1	0	368.437	1.940	20	30		FDEDRO
CN(C)C(=O)CNC(NC[C@@H]1COC2(CCCC2)O1)=[NH+]C1CCCCC1	ZINC000262285631	824687440	/nfs/dbraw/zinc/68/74/40/824687440.db2.gz	KCGTWAABTLLXCP-MRXNPFEDSA-N	1	0	366.506	1.628	20	30		FDEDRO
O=C(NC1CC[NH+](Cc2ccncc2)CC1)N1CCOC[C@@H]1[C@H]1CCCO1	ZINC000329287491	824715234	/nfs/dbraw/zinc/71/52/34/824715234.db2.gz	PRFDDZCHFAOWAN-RTBURBONSA-N	1	0	374.485	1.840	20	30		FDEDRO
Cc1ccc(C(=O)N2CCN(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)cc1	ZINC000329320813	824736519	/nfs/dbraw/zinc/73/65/19/824736519.db2.gz	UFXWZCIGGGCQHH-KRWDZBQOSA-N	1	0	356.470	1.904	20	30		FDEDRO
Cc1nc([C@@H]2CCCN2C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)no1	ZINC000329343614	824747133	/nfs/dbraw/zinc/74/71/33/824747133.db2.gz	BJMYPGOKAUSKTO-PMPSAXMXSA-N	1	0	363.462	1.807	20	30		FDEDRO
C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H]1CCO[C@H]1c1ccnn1C	ZINC000329388126	824766827	/nfs/dbraw/zinc/76/68/27/824766827.db2.gz	RFQJMPOPVKBOKG-MUQADHOPSA-N	1	0	361.490	1.970	20	30		FDEDRO
COC(=O)[C@@H]1[C@@H](C[N@@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)C1(F)F	ZINC000896654315	824771491	/nfs/dbraw/zinc/77/14/91/824771491.db2.gz	OZKWHMQZJVKNDZ-GUTXKFCHSA-N	1	0	350.369	1.884	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)C1	ZINC000329467077	824813012	/nfs/dbraw/zinc/81/30/12/824813012.db2.gz	WIVCDOXDWIPTHM-IXDOHACOSA-N	1	0	367.490	1.470	20	30		FDEDRO
Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCOC[C@@H]2C2CC2)CCC[N@@H+]1C	ZINC000329490563	824836017	/nfs/dbraw/zinc/83/60/17/824836017.db2.gz	HYCARYMPYSAUGL-CGTJXYLNSA-N	1	0	361.490	1.828	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1	ZINC000984782256	824879012	/nfs/dbraw/zinc/87/90/12/824879012.db2.gz	JXQZWRCLFRLGGD-JLJPHGGASA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ncc(Cl)n2C)C1	ZINC000984825463	825032416	/nfs/dbraw/zinc/03/24/16/825032416.db2.gz	ATZQSPHCTZOKLV-SYQHCUMBSA-N	1	0	352.866	1.649	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc3n(n2)CCCC3)C1	ZINC000984826368	825033984	/nfs/dbraw/zinc/03/39/84/825033984.db2.gz	RXWNNKZOBHNDCA-RGCFKVTRSA-N	1	0	358.486	1.795	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3c3ncccn3)C[C@@H]2C1	ZINC001087999919	825057573	/nfs/dbraw/zinc/05/75/73/825057573.db2.gz	HRFNPUXNTMFRSE-SQNIBIBYSA-N	1	0	355.486	1.802	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3conc3C)CC[C@@H]2C1	ZINC001087997824	825072505	/nfs/dbraw/zinc/07/25/05/825072505.db2.gz	ASJMRYAZCBUXKM-AOIWGVFYSA-N	1	0	356.470	1.361	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCO[C@H]3c3nccn3C)C[C@@H]2C1	ZINC001087998999	825082325	/nfs/dbraw/zinc/08/23/25/825082325.db2.gz	ORRCWQPUROXNAJ-XMTFNYHQSA-N	1	0	358.486	1.854	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cn[nH]c(=O)c4)C[C@@H]3C2)c1	ZINC001088004665	825129606	/nfs/dbraw/zinc/12/96/06/825129606.db2.gz	MQUHGYXLCZYZNR-AEFFLSMTSA-N	1	0	363.421	1.648	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cnc(C(F)(F)F)nc3)C[C@@H]2C1	ZINC001088006148	825163097	/nfs/dbraw/zinc/16/30/97/825163097.db2.gz	PZUIZPRVTMKGAL-OCCSQVGLSA-N	1	0	352.360	1.913	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N(C)CCC[NH+](C)C)cc1	ZINC000525852938	828742402	/nfs/dbraw/zinc/74/24/02/828742402.db2.gz	ZWRXWPHUBJLZPW-UHFFFAOYSA-N	1	0	361.446	1.343	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000984871937	825193698	/nfs/dbraw/zinc/19/36/98/825193698.db2.gz	TUSQYZCUNDJFAE-CGTJXYLNSA-N	1	0	371.485	1.868	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC000984872363	825194429	/nfs/dbraw/zinc/19/44/29/825194429.db2.gz	ZZORMRQXWREZKV-ZWKOTPCHSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCNC3=O)CC[C@@H]2C1	ZINC001088016842	825276333	/nfs/dbraw/zinc/27/63/33/825276333.db2.gz	YRBMKNIWECIOHR-RYRKJORJSA-N	1	0	369.465	1.534	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccnc(N4CCCC4)n3)C[C@@H]2C1	ZINC001088017335	825287554	/nfs/dbraw/zinc/28/75/54/825287554.db2.gz	XFNSVMRIIMOVLX-SJORKVTESA-N	1	0	353.470	1.494	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCCN(C)C2=O)C1	ZINC000984905605	825361443	/nfs/dbraw/zinc/36/14/43/825361443.db2.gz	PVJZIEQORDRJLD-ATIWLJMLSA-N	1	0	363.502	1.463	20	30		FDEDRO
C[C@H](NC(=O)N1CCC(C(=O)N2CCOCC2)CC1)C1=CC[N@H+](C)CC1	ZINC000329715307	825362452	/nfs/dbraw/zinc/36/24/52/825362452.db2.gz	UUPZDBMHHKRUDF-HNNXBMFYSA-N	1	0	364.490	1.122	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)c2nncn2C)C1	ZINC000984904682	825365807	/nfs/dbraw/zinc/36/58/07/825365807.db2.gz	BXMNOUOVKPYJLL-WOYTXXSLSA-N	1	0	361.490	1.732	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@@H]3CCC(=O)N[C@@H]3[C@@H]3CCCO3)CC[C@H]21	ZINC000329739580	825409605	/nfs/dbraw/zinc/40/96/05/825409605.db2.gz	NMBKLJDZROMNEK-JLOCXQCDSA-N	1	0	364.490	1.983	20	30		FDEDRO
[O-]C(=[NH+]C1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCC[C@@H](n2cncn2)C1	ZINC000329768440	825439664	/nfs/dbraw/zinc/43/96/64/825439664.db2.gz	GPMVAHVWMCDCOC-DOTOQJQBSA-N	1	0	362.478	1.330	20	30		FDEDRO
COCc1nc2n(n1)C[C@H](NC([O-])=[NH+]C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2	ZINC000329802691	825466454	/nfs/dbraw/zinc/46/64/54/825466454.db2.gz	KNTYWFBOLAUOAI-FFHGMXDLSA-N	1	0	362.478	1.258	20	30		FDEDRO
O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCN2CCOC[C@@H]2C1	ZINC000329805877	825467360	/nfs/dbraw/zinc/46/73/60/825467360.db2.gz	AVEOWYJFOMFGAG-SFHVURJKSA-N	1	0	359.474	1.228	20	30		FDEDRO
CC(=O)N[C@H](CC1CCC1)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000329888348	825524610	/nfs/dbraw/zinc/52/46/10/825524610.db2.gz	YUCJEIPDTXOKEE-IAGOWNOFSA-N	1	0	364.490	1.287	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)C[C@@H]2C1	ZINC001088049737	825594389	/nfs/dbraw/zinc/59/43/89/825594389.db2.gz	VYEBDTJVDPCUBX-VYDXJSESSA-N	1	0	357.458	1.112	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000984945772	825616107	/nfs/dbraw/zinc/61/61/07/825616107.db2.gz	HBONANUIAUVPNJ-JJAZEVLHSA-N	1	0	357.458	1.336	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn4c3nc(C)cc4C)C[C@@H]2C1	ZINC001088062949	825759725	/nfs/dbraw/zinc/75/97/25/825759725.db2.gz	GFKMMRSPHMEWPF-SJORKVTESA-N	1	0	351.454	1.763	20	30		FDEDRO
Cn1nccc1[C@@H]1[C@H](C(=O)NC2CC[NH+](C)CC2)CCC(=O)N1C1CC1	ZINC000330244246	825763894	/nfs/dbraw/zinc/76/38/94/825763894.db2.gz	DBCVHKLIYIECLX-QAPCUYQASA-N	1	0	359.474	1.913	20	30		FDEDRO
C[C@H]1C[C@H]1N1C[C@H](NC(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)CC1=O	ZINC000330244651	825764361	/nfs/dbraw/zinc/76/43/61/825764361.db2.gz	KHVBZHBILHZPJW-KLZNWCGWSA-N	1	0	364.490	1.095	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1	ZINC000330249716	825765805	/nfs/dbraw/zinc/76/58/05/825765805.db2.gz	GLEGFMJCMVOFNR-LSDHHAIUSA-N	1	0	366.506	1.485	20	30		FDEDRO
CCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1	ZINC000330289419	825795597	/nfs/dbraw/zinc/79/55/97/825795597.db2.gz	DXLCZWYZDHGBLR-WDYCEAGBSA-N	1	0	361.490	1.922	20	30		FDEDRO
CN1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC#Cc4ccccc4)CC[C@@H]3C2)C1=O	ZINC001088074648	825989308	/nfs/dbraw/zinc/98/93/08/825989308.db2.gz	XJFZSIBALFCTHY-AABGKKOBSA-N	1	0	365.477	1.297	20	30		FDEDRO
CN1CC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CC#Cc4ccccc4)CC[C@@H]3C2)C1=O	ZINC001088074649	825989519	/nfs/dbraw/zinc/98/95/19/825989519.db2.gz	XJFZSIBALFCTHY-HSALFYBXSA-N	1	0	365.477	1.297	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3ccon3)[C@@H]2CC)CC1	ZINC000984989720	826009810	/nfs/dbraw/zinc/00/98/10/826009810.db2.gz	TXWUBKJSWAQNAM-DOTOQJQBSA-N	1	0	358.442	1.129	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3[nH]cnc3C)[C@@H]2CC)CC1	ZINC000984992317	826025085	/nfs/dbraw/zinc/02/50/85/826025085.db2.gz	NMCJKJJGTJMBJV-DLBZAZTESA-N	1	0	371.485	1.173	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1CCOC	ZINC000522773892	826041509	/nfs/dbraw/zinc/04/15/09/826041509.db2.gz	ZQNWVDBMEOGSGL-OAHLLOKOSA-N	1	0	374.441	1.122	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000665537150	826049398	/nfs/dbraw/zinc/04/93/98/826049398.db2.gz	HXDBPMHTBAVFFR-HXUWFJFHSA-N	1	0	372.513	1.391	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1	ZINC000281621648	826114676	/nfs/dbraw/zinc/11/46/76/826114676.db2.gz	XAMIFFHPKIEMFL-FXAWDEMLSA-N	1	0	358.486	1.691	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])N2CCN(c3ncccn3)CC2)c(Cl)c1	ZINC000262376423	826174184	/nfs/dbraw/zinc/17/41/84/826174184.db2.gz	JPOVXEUTMNRTGR-UHFFFAOYSA-N	1	0	374.876	1.818	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C	ZINC000281829333	826263134	/nfs/dbraw/zinc/26/31/34/826263134.db2.gz	PTIUSBHGTAFXBD-WMZOPIPTSA-N	1	0	359.470	1.827	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3C[N@H+](Cc4cnc(C)nc4)CC[C@@H]3C2)c1	ZINC001088099406	826389956	/nfs/dbraw/zinc/38/99/56/826389956.db2.gz	JICVXERFHJKSDI-QUCCMNQESA-N	1	0	361.449	1.755	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3c(C)nnn3CC)CC[C@@H]2C1	ZINC001088112633	826445086	/nfs/dbraw/zinc/44/50/86/826445086.db2.gz	PSIBPVAHJCMLRH-NTDBWNAOSA-N	1	0	373.501	1.478	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(Cc3cc(OC)no3)C[C@H]2C1	ZINC001088113267	826445362	/nfs/dbraw/zinc/44/53/62/826445362.db2.gz	YREASWVPSLQJCZ-WTTBNOFXSA-N	1	0	361.442	1.555	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4nnnn4CC3)C[C@@H]2C1	ZINC001088114206	826455000	/nfs/dbraw/zinc/45/50/00/826455000.db2.gz	AGKYIARTKTZSKE-BBWFWOEESA-N	1	0	358.490	1.372	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(=[NH+]C)N2CCN(c3ncccn3)CC2)C12CCCC2	ZINC000262416205	826513188	/nfs/dbraw/zinc/51/31/88/826513188.db2.gz	QEMQPPYGWDUPOW-DLBZAZTESA-N	1	0	372.517	1.912	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cncc(N4CCCC4)n3)C[C@@H]2C1	ZINC001088130249	826560347	/nfs/dbraw/zinc/56/03/47/826560347.db2.gz	DSCWSAJFIUGBPB-SJORKVTESA-N	1	0	353.470	1.494	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccn4)CC[C@@H]3C2)nn1	ZINC001088132833	826571152	/nfs/dbraw/zinc/57/11/52/826571152.db2.gz	IBHMPPIXVFWGER-CVEARBPZSA-N	1	0	352.442	1.453	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cccnc4)CC[C@@H]3C2)nn1	ZINC001088133015	826571245	/nfs/dbraw/zinc/57/12/45/826571245.db2.gz	OSQSIRRDIJJRHR-SJORKVTESA-N	1	0	352.442	1.453	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCc3ccnn3C)CC[C@@H]2C1	ZINC001088137050	826609926	/nfs/dbraw/zinc/60/99/26/826609926.db2.gz	VVGGJJVBFYZMFE-UMGGQSCQSA-N	1	0	372.513	1.724	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4ccnc4)nn3)C[C@@H]2C1	ZINC001088139059	826636353	/nfs/dbraw/zinc/63/63/53/826636353.db2.gz	RUFMZDOQZYOGDW-CVEARBPZSA-N	1	0	350.426	1.080	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccccc3NC(C)=O)C[C@@H]2C1	ZINC001088144161	826695705	/nfs/dbraw/zinc/69/57/05/826695705.db2.gz	WGRDIGAAGUVMIY-MOPGFXCFSA-N	1	0	353.466	1.991	20	30		FDEDRO
C=CCc1cc(C[NH+]2CCC3(CC2)C[C@H](O)CNC3=O)cc(OC)c1O	ZINC000897041872	826825187	/nfs/dbraw/zinc/82/51/87/826825187.db2.gz	NVKLWROUEILXMR-INIZCTEOSA-N	1	0	360.454	1.592	20	30		FDEDRO
Cc1c(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cnn1CCC#N	ZINC000897055596	826836547	/nfs/dbraw/zinc/83/65/47/826836547.db2.gz	AKBLKCYTLOQNCU-ROUUACIJSA-N	1	0	359.474	1.603	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4oncc4C)C[C@@H]3C2)C1=O	ZINC001088158916	826908883	/nfs/dbraw/zinc/90/88/83/826908883.db2.gz	RULXMAWYRHHDSJ-OWCLPIDISA-N	1	0	358.442	1.164	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4nccs4)c3)C[C@@H]2C1	ZINC001088166468	826948960	/nfs/dbraw/zinc/94/89/60/826948960.db2.gz	CNDURYPOAKTPBV-ZBFHGGJFSA-N	1	0	355.467	1.746	20	30		FDEDRO
N#Cc1cc(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)ncc1Br	ZINC000897219324	827179121	/nfs/dbraw/zinc/17/91/21/827179121.db2.gz	KLOFRMKVPSLCJN-KBPBESRZSA-N	1	0	351.248	1.751	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4conc4C)CC[C@@H]3C2)nc1	ZINC001088174384	827220261	/nfs/dbraw/zinc/22/02/61/827220261.db2.gz	UOUKHMYLLCJCGW-SJORKVTESA-N	1	0	350.422	1.953	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c(c3)C(=O)NC4=O)C[C@@H]2C1	ZINC001088174581	827221532	/nfs/dbraw/zinc/22/15/32/827221532.db2.gz	CRQJDSHLDJFWGP-CABCVRRESA-N	1	0	353.422	1.540	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+]([C@H](C)C(=O)NC4CC4)CC[C@@H]3C2)cn1	ZINC001088175725	827227729	/nfs/dbraw/zinc/22/77/29/827227729.db2.gz	JPXCJDGWMNUMTA-OIISXLGYSA-N	1	0	366.465	1.124	20	30		FDEDRO
N#Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4cncn4)C[C@@H]3C2)ccc1F	ZINC001088191584	827381630	/nfs/dbraw/zinc/38/16/30/827381630.db2.gz	HLRORLKWCZIUAZ-WBVHZDCISA-N	1	0	368.416	1.269	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccc4c(c3)OCCO4)C[C@@H]2C1	ZINC001088192285	827388479	/nfs/dbraw/zinc/38/84/79/827388479.db2.gz	TUGBRRWKICXEQX-MSOLQXFVSA-N	1	0	354.450	1.804	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(=O)CCC)C[C@@H]2C1	ZINC001088210292	827485047	/nfs/dbraw/zinc/48/50/47/827485047.db2.gz	GBWAEZUYYKCOMQ-CEXWTWQISA-N	1	0	359.514	1.971	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)CC1	ZINC000475835853	833230786	/nfs/dbraw/zinc/23/07/86/833230786.db2.gz	RCAXTYIWPULRRR-UHFFFAOYSA-N	1	0	374.489	1.714	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2CC)c1	ZINC000985436070	827821350	/nfs/dbraw/zinc/82/13/50/827821350.db2.gz	NXPAAPJFBRLXSU-BPQIPLTHSA-N	1	0	354.454	1.124	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@@H](O)Cc2ccccc2)CC1	ZINC000303979272	827950736	/nfs/dbraw/zinc/95/07/36/827950736.db2.gz	NAPWRPBIJCIVNN-INIZCTEOSA-N	1	0	362.474	1.457	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(C#N)s2)C1	ZINC001029759214	828009392	/nfs/dbraw/zinc/00/93/92/828009392.db2.gz	OYYPKEYIVBUEEA-VBQJREDUSA-N	1	0	363.483	1.704	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCN(C(C)=O)C2)C[C@H]1C(F)(F)F	ZINC001112188943	828313582	/nfs/dbraw/zinc/31/35/82/828313582.db2.gz	HRVLCROCFWXMLE-IIAWOOMASA-N	1	0	359.392	1.247	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](CO)[C@@H]2CCCO2)cc1	ZINC000447917129	828935665	/nfs/dbraw/zinc/93/56/65/828935665.db2.gz	WUTBARNKOKLOSZ-ROUUACIJSA-N	1	0	361.442	1.461	20	30		FDEDRO
CCN1CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@@H]1c1ncc[nH]1	ZINC000527068728	828941870	/nfs/dbraw/zinc/94/18/70/828941870.db2.gz	UNEARWBUZPAHPU-QGZVFWFLSA-N	1	0	352.442	1.989	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C	ZINC000448327091	829092830	/nfs/dbraw/zinc/09/28/30/829092830.db2.gz	GRSCAWREIPSILO-MRXNPFEDSA-N	1	0	358.442	1.742	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)Nc1nc(C)cs1	ZINC001168100878	829214972	/nfs/dbraw/zinc/21/49/72/829214972.db2.gz	JPAJEWMDJJLHBP-ZFWWWQNUSA-N	1	0	366.487	1.467	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCC34CC(C3)CO4)CC2)cc1	ZINC000528250682	829313991	/nfs/dbraw/zinc/31/39/91/829313991.db2.gz	JCCKVVUTZJGXPC-UHFFFAOYSA-N	1	0	354.454	1.955	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001088382601	829354866	/nfs/dbraw/zinc/35/48/66/829354866.db2.gz	GSSOKMVHTQREJM-KSZLIROESA-N	1	0	354.454	1.540	20	30		FDEDRO
C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccccc2C#N)C[C@H](C)O1	ZINC000528355921	829365242	/nfs/dbraw/zinc/36/52/42/829365242.db2.gz	AAMNIRWMLIGFLP-HNJRGHQBSA-N	1	0	373.497	1.872	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(C[C@@H](O)COc2ccccc2C#N)CC1	ZINC000528375907	829369190	/nfs/dbraw/zinc/36/91/90/829369190.db2.gz	DPDYJAYPUBMKEX-WOJBJXKFSA-N	1	0	372.513	1.400	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1	ZINC000528381269	829371873	/nfs/dbraw/zinc/37/18/73/829371873.db2.gz	PPRKOQZUJWUDSM-QZTJIDSGSA-N	1	0	357.454	1.632	20	30		FDEDRO
CCCC(=O)NC[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2C#N)C1	ZINC000528369653	829374139	/nfs/dbraw/zinc/37/41/39/829374139.db2.gz	WWBXOANDILQABO-AEFFLSMTSA-N	1	0	359.470	1.926	20	30		FDEDRO
Cn1nccc1[C@@H](O)C1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1	ZINC000528563375	829447229	/nfs/dbraw/zinc/44/72/29/829447229.db2.gz	AYCGNRJTIHZNIM-PXNSSMCTSA-N	1	0	370.453	1.477	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC(=O)N2CCC2)C1	ZINC001088397819	829463598	/nfs/dbraw/zinc/46/35/98/829463598.db2.gz	RUDGIWQHZQKLGX-AOIWGVFYSA-N	1	0	363.502	1.561	20	30		FDEDRO
C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1	ZINC000449891884	829714594	/nfs/dbraw/zinc/71/45/94/829714594.db2.gz	MNQSENQDKHNEFF-DZGCQCFKSA-N	1	0	374.872	1.975	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@@H]3C2)cn1	ZINC000985821834	829755300	/nfs/dbraw/zinc/75/53/00/829755300.db2.gz	ALIHCHRGNKABFS-ZIFCJYIRSA-N	1	0	366.465	1.078	20	30		FDEDRO
CC[NH+]1CCN(CCCNC(=O)[C@@]2(C#N)CCc3ccccc3C2)CC1	ZINC000371505369	829761563	/nfs/dbraw/zinc/76/15/63/829761563.db2.gz	IWKBWZNCOMAWKX-NRFANRHFSA-N	1	0	354.498	1.829	20	30		FDEDRO
N#Cc1ccnc(N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)n1	ZINC000450293793	829912575	/nfs/dbraw/zinc/91/25/75/829912575.db2.gz	KQWJFGUBFDADDW-KRWDZBQOSA-N	1	0	363.469	1.782	20	30		FDEDRO
C[C@]1(CO)C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@]1(C)CO	ZINC000529669367	829975192	/nfs/dbraw/zinc/97/51/92/829975192.db2.gz	WWVPNKPGLCQPDL-BGYRXZFFSA-N	1	0	369.469	1.672	20	30		FDEDRO
CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Cn1cnc(C#N)n1	ZINC000529701424	829982998	/nfs/dbraw/zinc/98/29/98/829982998.db2.gz	GNTFAMXWAANIFD-QGZVFWFLSA-N	1	0	352.442	1.519	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)Cn1nc(-c2ccccc2)ccc1=O	ZINC000729812330	837437980	/nfs/dbraw/zinc/43/79/80/837437980.db2.gz	SKEGECTTYUBOJY-QGZVFWFLSA-N	1	0	351.406	1.551	20	30		FDEDRO
Cn1c(C#N)ccc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000451178020	830284856	/nfs/dbraw/zinc/28/48/56/830284856.db2.gz	KHPHKFNOIMLHFF-GOSISDBHSA-N	1	0	352.438	1.918	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)[C@H]([NH2+]C(C)C)c1ccc(OC)cc1	ZINC000897364641	830508439	/nfs/dbraw/zinc/50/84/39/830508439.db2.gz	FSFUSEIUTDLZGA-MRXNPFEDSA-N	1	0	354.472	1.451	20	30		FDEDRO
CC(C)[NH+]1CCN([C@H]2CCN(C(=O)NCC#Cc3ccccc3)C2)CC1	ZINC000531585472	830808896	/nfs/dbraw/zinc/80/88/96/830808896.db2.gz	QROGJFRPUPGOKK-FQEVSTJZSA-N	1	0	354.498	1.848	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1	ZINC000453587778	830959274	/nfs/dbraw/zinc/95/92/74/830959274.db2.gz	LBCIHPBSOHYTET-GJZGRUSLSA-N	1	0	358.442	1.421	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)NCC[N@@H+](C)Cc2ccccc2)ccc1C#N	ZINC000453624470	830961944	/nfs/dbraw/zinc/96/19/44/830961944.db2.gz	QMDHTONOKGOVPH-UHFFFAOYSA-N	1	0	351.410	1.448	20	30		FDEDRO
C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)Nc3cccc(CC#N)c3)C2)CC1	ZINC000453687480	831005877	/nfs/dbraw/zinc/00/58/77/831005877.db2.gz	GTYNZMSZQBJKGJ-KRWDZBQOSA-N	1	0	354.454	1.881	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)[C@H]2C)c1	ZINC000453750604	831068990	/nfs/dbraw/zinc/06/89/90/831068990.db2.gz	NJADETSPBSPGNR-RHSMWYFYSA-N	1	0	356.426	1.127	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)CC[C@@H]2C1	ZINC000986258586	831388428	/nfs/dbraw/zinc/38/84/28/831388428.db2.gz	IMBMIFPGQNMBNP-AABGKKOBSA-N	1	0	371.525	1.970	20	30		FDEDRO
C[NH+]=C(NCC[C@@H]1CCCC[C@H]1C)N1CCN(c2nccn(C)c2=O)CC1	ZINC000262790245	831453160	/nfs/dbraw/zinc/45/31/60/831453160.db2.gz	NYACISLLKBUZRQ-SJORKVTESA-N	1	0	374.533	1.694	20	30		FDEDRO
C[NH+]=C(NC[C@H](O)C1CCCCC1)N[C@@H]1CCCN(c2cnn(C)c2)C1	ZINC000262803773	831511779	/nfs/dbraw/zinc/51/17/79/831511779.db2.gz	RXIFZFRHGFCAPB-AEFFLSMTSA-N	1	0	362.522	1.495	20	30		FDEDRO
COc1ccc(C#N)cc1CN1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C	ZINC001088493884	831772378	/nfs/dbraw/zinc/77/23/78/831772378.db2.gz	CPGHFALUQRVFFK-JLSDUUJJSA-N	1	0	356.470	1.740	20	30		FDEDRO
C#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1	ZINC001105431869	831875970	/nfs/dbraw/zinc/87/59/70/831875970.db2.gz	APEYZVWPRRUWID-ZKLZULKDSA-N	1	0	368.477	1.477	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)[C@H]2C)c1	ZINC000988839956	837593379	/nfs/dbraw/zinc/59/33/79/837593379.db2.gz	CQRJLAUDJSKING-JLSDUUJJSA-N	1	0	354.454	1.266	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)[C@@H]2CCNC2=O)CC1	ZINC001030001038	832357203	/nfs/dbraw/zinc/35/72/03/832357203.db2.gz	DNLHXQQYJDUBNB-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
CN1CCC[NH+]=C1NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1	ZINC000263104343	832401680	/nfs/dbraw/zinc/40/16/80/832401680.db2.gz	KLCQLCZDDXBIJW-LJQANCHMSA-N	1	0	355.442	1.693	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COCCc2ccccc2)C[C@H]1C(F)(F)F	ZINC001112218816	832442837	/nfs/dbraw/zinc/44/28/37/832442837.db2.gz	WGFNBZOGKLVMBG-HZPDHXFCSA-N	1	0	354.372	1.858	20	30		FDEDRO
COc1cccc([C@@H](O)C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)c1	ZINC001088533800	832489469	/nfs/dbraw/zinc/48/94/69/832489469.db2.gz	JZKQTFFNPLHPQE-VMDGZTHMSA-N	1	0	368.437	1.821	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc3nnn(C)c32)C[C@H]1C(F)(F)F	ZINC001112220313	832506015	/nfs/dbraw/zinc/50/60/15/832506015.db2.gz	UYUPXCKBTSHUSF-TZMCWYRMSA-N	1	0	365.359	1.584	20	30		FDEDRO
CN(C)c1nccc(CNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)n1	ZINC000263178669	832618115	/nfs/dbraw/zinc/61/81/15/832618115.db2.gz	UQJRCCWMBAXFPA-UHFFFAOYSA-N	1	0	357.437	1.319	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1	ZINC000987159975	832621900	/nfs/dbraw/zinc/62/19/00/832621900.db2.gz	JKMXFWSRALFZCG-KURKYZTESA-N	1	0	363.502	1.561	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3cncs3)[C@H]2C)CC1	ZINC000987415489	832956195	/nfs/dbraw/zinc/95/61/95/832956195.db2.gz	VQYPGJUKAYPLLV-HIFRSBDPSA-N	1	0	360.483	1.208	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C)C1	ZINC000987620145	833497739	/nfs/dbraw/zinc/49/77/39/833497739.db2.gz	FCUDRJBJLDFXOC-INMHGKMJSA-N	1	0	371.485	1.583	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000988025256	833937765	/nfs/dbraw/zinc/93/77/65/833937765.db2.gz	BNHJCBJYCVNUJS-LSTHTHJFSA-N	1	0	371.525	1.685	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3cccn3CC)[C@H]2C)CC1	ZINC000988129628	834074740	/nfs/dbraw/zinc/07/47/40/834074740.db2.gz	SXVQYLKFFYLHPW-AEFFLSMTSA-N	1	0	370.497	1.572	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1	ZINC001059865126	834299095	/nfs/dbraw/zinc/29/90/95/834299095.db2.gz	JPUNWYOCVXJRED-JQHSSLGASA-N	1	0	363.502	1.274	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C)CC[N@@H+]1C	ZINC000988335354	834392878	/nfs/dbraw/zinc/39/28/78/834392878.db2.gz	JVADIJQUGNWARF-ISWURRPUSA-N	1	0	357.458	1.336	20	30		FDEDRO
C=CCC[C@@H](CO)NC(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1	ZINC000454054057	834526015	/nfs/dbraw/zinc/52/60/15/834526015.db2.gz	JBZJGHWVUKPWFQ-KRWDZBQOSA-N	1	0	374.485	1.210	20	30		FDEDRO
C[C@@H]1CC[N@H+](CCNC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)C1	ZINC000897472175	834951534	/nfs/dbraw/zinc/95/15/34/834951534.db2.gz	PRHMQGQGKRQUBQ-NVXWUHKLSA-N	1	0	356.474	1.881	20	30		FDEDRO
N#Cc1cccc([N+](=O)[O-])c1CN1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000459337889	835007782	/nfs/dbraw/zinc/00/77/82/835007782.db2.gz	LXJVPACIQXUUOE-UHFFFAOYSA-N	1	0	357.414	1.206	20	30		FDEDRO
CCCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)nn2CCC#N)CC1	ZINC000533003151	835620571	/nfs/dbraw/zinc/62/05/71/835620571.db2.gz	BPTXGFUAWDKKPB-UHFFFAOYSA-N	1	0	360.462	1.424	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC=CCC3)[C@@H]2C)CC1	ZINC000988505536	835653340	/nfs/dbraw/zinc/65/33/40/835653340.db2.gz	AJWOYZSWDYQDEV-NEWSRXKRSA-N	1	0	357.498	1.794	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3nocc3C)[C@@H]2C)CC1	ZINC000988506277	835658367	/nfs/dbraw/zinc/65/83/67/835658367.db2.gz	KIPUATMCJNDUNF-ZBFHGGJFSA-N	1	0	358.442	1.047	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H](CC)SC)[C@@H]2C)CC1	ZINC000988507612	835662567	/nfs/dbraw/zinc/66/25/67/835662567.db2.gz	WYAOWUKPVHBKCP-HYVNUMGLSA-N	1	0	365.543	1.579	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CCC3)[C@@H]2C)CC1	ZINC000988507994	835664033	/nfs/dbraw/zinc/66/40/33/835664033.db2.gz	YXDIXOFAYGOJGT-NMLACTOBSA-N	1	0	371.525	1.873	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@@H]1C	ZINC000988513296	835713319	/nfs/dbraw/zinc/71/33/19/835713319.db2.gz	GXJIQDTYYNRYRR-COXVUDFISA-N	1	0	357.458	1.480	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)NC[C@H](C)[NH+](C)C)c(C#N)cn1CCOC	ZINC000455149069	835927336	/nfs/dbraw/zinc/92/73/36/835927336.db2.gz	MKZLHXQYPINSAZ-LBPRGKRZSA-N	1	0	365.434	1.254	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)[C@@H]1C	ZINC000988630671	836334563	/nfs/dbraw/zinc/33/45/63/836334563.db2.gz	ZJNHGYSVCWLIEX-ZACQAIPSSA-N	1	0	358.486	1.735	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)CN(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000249581694	836492827	/nfs/dbraw/zinc/49/28/27/836492827.db2.gz	RIODXQAPGBSSRW-RTWAWAEBSA-N	1	0	372.513	1.610	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1	ZINC000938021872	836976065	/nfs/dbraw/zinc/97/60/65/836976065.db2.gz	KCWGJAGCOOVXIO-NXOAAHMSSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1	ZINC000938028079	836991428	/nfs/dbraw/zinc/99/14/28/836991428.db2.gz	GQNQDIGHMLSDDE-NXOAAHMSSA-N	1	0	351.491	1.271	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@H]1OC	ZINC001212092598	837106298	/nfs/dbraw/zinc/10/62/98/837106298.db2.gz	IMCWFPKPYGQMDP-RCCFBDPRSA-N	1	0	354.491	1.744	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C2(n3cccn3)CC[NH2+]CC2)cc1	ZINC000261991481	837352611	/nfs/dbraw/zinc/35/26/11/837352611.db2.gz	SVMZNSPEVATKGN-UHFFFAOYSA-N	1	0	353.426	1.516	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCCC[NH2+]2)cc1	ZINC000666833230	837906249	/nfs/dbraw/zinc/90/62/49/837906249.db2.gz	XEZSUHAGXXUASY-HNNXBMFYSA-N	1	0	366.487	1.757	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)NCCCC[N@H+](C)C3CC3)CC2)c1C#N	ZINC000455604461	838365623	/nfs/dbraw/zinc/36/56/23/838365623.db2.gz	GFKDYSKRPGWXEJ-UHFFFAOYSA-N	1	0	373.505	1.306	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1	ZINC000272941444	838439000	/nfs/dbraw/zinc/43/90/00/838439000.db2.gz	PEPUETMCXMKPHD-UHFFFAOYSA-N	1	0	362.386	1.309	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C)nc1	ZINC000989164362	838536213	/nfs/dbraw/zinc/53/62/13/838536213.db2.gz	WDAJGHUXLDJNNL-OLMNPRSZSA-N	1	0	366.465	1.124	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc3c(c2)COC3)[C@@H]1C	ZINC001088630944	838620450	/nfs/dbraw/zinc/62/04/50/838620450.db2.gz	JARNNFZNBACTHP-CZAAIQMYSA-N	1	0	367.493	1.893	20	30		FDEDRO
CCN(C(=O)C(=O)N(C)C[C@H](C)C#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000459910919	839105041	/nfs/dbraw/zinc/10/50/41/839105041.db2.gz	WANRFRLRMHIAEG-SJLPKXTDSA-N	1	0	356.470	1.727	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC[NH+](C)C	ZINC000460036515	839244652	/nfs/dbraw/zinc/24/46/52/839244652.db2.gz	OFBLWSUBSOBEOX-VQIMIIECSA-N	1	0	373.497	1.599	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC1CCC(C(N)=O)CC1	ZINC000476024841	839278401	/nfs/dbraw/zinc/27/84/01/839278401.db2.gz	RHGUKWAPBWYRFJ-UHFFFAOYSA-N	1	0	371.485	1.676	20	30		FDEDRO
CC#CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1CCO[C@H]1C1CC1)CCO2	ZINC001105475555	839410289	/nfs/dbraw/zinc/41/02/89/839410289.db2.gz	BKJLIRFBWHBKAS-LSNYBQGISA-N	1	0	360.498	1.955	20	30		FDEDRO
CCc1nc(C#N)cc(N2CCC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001059968898	839541067	/nfs/dbraw/zinc/54/10/67/839541067.db2.gz	UERRDTXKUNTIIU-BFYDXBDKSA-N	1	0	370.501	1.583	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(NC(=O)OC)cc2)c1C#N	ZINC000760308807	839780367	/nfs/dbraw/zinc/78/03/67/839780367.db2.gz	WJORXZLPQXWPKZ-UHFFFAOYSA-N	1	0	356.386	1.864	20	30		FDEDRO
C=C(Cl)CN1C[C@@H]2CCN(C(=O)c3cn4c(n3)C[C@H](OC)CC4)[C@@H]2C1	ZINC001075938698	839816716	/nfs/dbraw/zinc/81/67/16/839816716.db2.gz	FWJRTEQLSXXZGI-SQWLQELKSA-N	1	0	364.877	1.743	20	30		FDEDRO
C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCC1	ZINC001105552113	839954511	/nfs/dbraw/zinc/95/45/11/839954511.db2.gz	XDHUWSDGUORPTH-INDMIFKZSA-N	1	0	360.498	1.812	20	30		FDEDRO
C[NH+]1CCC(CNC(=S)NNc2oc(C(C)(C)C)nc2C#N)CC1	ZINC000760475988	839999170	/nfs/dbraw/zinc/99/91/70/839999170.db2.gz	HIPTWLQXMKZGPU-UHFFFAOYSA-N	1	0	350.492	1.977	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1C[C@]2(CN(C(C)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105587387	840028171	/nfs/dbraw/zinc/02/81/71/840028171.db2.gz	GNAAOGGSLORXBL-IZBJGVDFSA-N	1	0	365.518	1.397	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccccc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105588669	840087063	/nfs/dbraw/zinc/08/70/63/840087063.db2.gz	ZLQJDFXKVSTQGU-XWSHUIEDSA-N	1	0	370.493	1.916	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105594019	840388105	/nfs/dbraw/zinc/38/81/05/840388105.db2.gz	KGTWMICORUVABI-LFGUQSLTSA-N	1	0	360.502	1.815	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@H]([NH+](C)C)C2)cc1	ZINC000897836130	840484629	/nfs/dbraw/zinc/48/46/29/840484629.db2.gz	PNFJNGQYMJGUTQ-OALUTQOASA-N	1	0	355.482	1.975	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105594575	840577486	/nfs/dbraw/zinc/57/74/86/840577486.db2.gz	SKJSMYVPJDUURL-XSYGEPLQSA-N	1	0	360.502	1.966	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3snnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105594716	840580432	/nfs/dbraw/zinc/58/04/32/840580432.db2.gz	VVNQFSNVPCZTTL-AHEZYBDSSA-N	1	0	362.499	1.450	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(CC)([NH+]2CCC2)CC1	ZINC000898044859	840685588	/nfs/dbraw/zinc/68/55/88/840685588.db2.gz	CCAZJRHZOKUMPC-DLBZAZTESA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105600613	841000260	/nfs/dbraw/zinc/00/02/60/841000260.db2.gz	KJBBTZQWWOFVHH-XSYGEPLQSA-N	1	0	358.486	1.941	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CSCC#N)[C@H]2C(C)C)C[C@H]1O	ZINC001105601509	841035091	/nfs/dbraw/zinc/03/50/91/841035091.db2.gz	ZMGMXUSAJXVDEH-XYVMCAHJSA-N	1	0	351.516	1.785	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)CSCC#N)C[C@@]12C[C@@H](O)[C@H]([NH2+]CC1CC1)C2	ZINC001105601079	841038239	/nfs/dbraw/zinc/03/82/39/841038239.db2.gz	RREMWEJWZYCCNY-JOCBIADPSA-N	1	0	351.516	1.619	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCOCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105604325	841183541	/nfs/dbraw/zinc/18/35/41/841183541.db2.gz	SXMHKGSGNMMQPV-HNBVOPMISA-N	1	0	350.503	1.793	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105606168	841204679	/nfs/dbraw/zinc/20/46/79/841204679.db2.gz	AOGAGZCJXGLCIA-HNBVOPMISA-N	1	0	368.518	1.582	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105606171	841204716	/nfs/dbraw/zinc/20/47/16/841204716.db2.gz	AOGAGZCJXGLCIA-LFGUQSLTSA-N	1	0	368.518	1.582	20	30		FDEDRO
C=CCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)N(C)C)C2)[C@H]1C(C)C	ZINC001105606981	841210689	/nfs/dbraw/zinc/21/06/89/841210689.db2.gz	JMUPAVGWDOSCRQ-RGCFKVTRSA-N	1	0	351.491	1.007	20	30		FDEDRO
C=CCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCn3cncn3)C2)[C@H]1C(C)C	ZINC001105606825	841215121	/nfs/dbraw/zinc/21/51/21/841215121.db2.gz	HELSQMGYHAZPOX-RWQQGDIJSA-N	1	0	361.490	1.210	20	30		FDEDRO
C=CCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NCCC)C2)[C@H]1C(C)C	ZINC001105607723	841232435	/nfs/dbraw/zinc/23/24/35/841232435.db2.gz	WTEXBMSFDGEPQQ-SMOSDQRPSA-N	1	0	365.518	1.445	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCOCC)C2)[C@H]1C(C)C	ZINC001105609823	841397515	/nfs/dbraw/zinc/39/75/15/841397515.db2.gz	BQCZQYMYAMBLIG-PSBWJHGTSA-N	1	0	354.491	1.192	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CNC(=O)CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105615427	842231733	/nfs/dbraw/zinc/23/17/33/842231733.db2.gz	UVMNRLFXRQPFLR-YAJHFMINSA-N	1	0	365.518	1.445	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc[nH]c(=O)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619163	842236225	/nfs/dbraw/zinc/23/62/25/842236225.db2.gz	HAAANUFOILTPDR-QQTQMKHKSA-N	1	0	357.454	1.390	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(C)c3N)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619818	842240281	/nfs/dbraw/zinc/24/02/81/842240281.db2.gz	RMZKLCOPNGMDCG-NNFUDEMPSA-N	1	0	361.490	1.158	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn4c(n3)CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001105632667	842280969	/nfs/dbraw/zinc/28/09/69/842280969.db2.gz	MVQSKZSWJKMAAH-STQYRHOTSA-N	1	0	370.497	1.432	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc4n(n3)CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001105633114	842281544	/nfs/dbraw/zinc/28/15/44/842281544.db2.gz	QTILTKJKOCLKCX-BNDYYXHWSA-N	1	0	370.497	1.432	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCOC)C2)[C@H]1C(C)C	ZINC001105633329	842282557	/nfs/dbraw/zinc/28/25/57/842282557.db2.gz	RYFSSRHALHBYDC-HNBVOPMISA-N	1	0	366.502	1.029	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC#CCOC)C2)[C@H]1C(C)C	ZINC001105633291	842282646	/nfs/dbraw/zinc/28/26/46/842282646.db2.gz	RRGOWJMRSZVLFA-UKAVVXHISA-N	1	0	362.514	1.959	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3(C)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105642059	842302329	/nfs/dbraw/zinc/30/23/29/842302329.db2.gz	HDFIHDDRMKDVKY-PLOVASNDSA-N	1	0	362.514	1.793	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(C)(C)COC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105645587	842394876	/nfs/dbraw/zinc/39/48/76/842394876.db2.gz	BUPBXFYHMBBHNC-CIWUYKSXSA-N	1	0	350.503	1.648	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)cnn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105645450	842395304	/nfs/dbraw/zinc/39/53/04/842395304.db2.gz	AVJBOWOFLQAAEK-QQTQMKHKSA-N	1	0	360.502	1.884	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH]c(=O)n3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105646515	842406455	/nfs/dbraw/zinc/40/64/55/842406455.db2.gz	KDSQUSUPXNHTCF-JNNRSPCRSA-N	1	0	362.474	1.282	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@H]1C(C)C	ZINC001105647407	842412468	/nfs/dbraw/zinc/41/24/68/842412468.db2.gz	QWKXIOAMIINEKX-XNFNUYLZSA-N	1	0	363.502	1.022	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3n[nH]nc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105648465	842420792	/nfs/dbraw/zinc/42/07/92/842420792.db2.gz	YJQYENWBEGFBNJ-FXRXJOCMSA-N	1	0	361.490	1.659	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@@H]1C(C)C	ZINC001105653324	842460698	/nfs/dbraw/zinc/46/06/98/842460698.db2.gz	TXYIHAIHPJISIV-JYBIWHBTSA-N	1	0	350.503	1.529	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc(C)n3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105653730	842464173	/nfs/dbraw/zinc/46/41/73/842464173.db2.gz	ZMFXVYVVHDYQHO-DLVXIWMQSA-N	1	0	358.486	1.332	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3[nH]c(C)nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105655132	842482454	/nfs/dbraw/zinc/48/24/54/842482454.db2.gz	FRWTUJIYXTVQPY-HBXLWWENSA-N	1	0	358.486	1.630	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ocnc3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105656604	842487451	/nfs/dbraw/zinc/48/74/51/842487451.db2.gz	ROZJHJSWNXEAJI-CIWUYKSXSA-N	1	0	359.470	1.840	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncc(C#C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105656157	842491328	/nfs/dbraw/zinc/49/13/28/842491328.db2.gz	NIFQZLBDUQUANT-JBPLPALLSA-N	1	0	365.477	1.666	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3cn[nH]c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105656177	842491566	/nfs/dbraw/zinc/49/15/66/842491566.db2.gz	NLRGKHWQTSWMCJ-IZBJGVDFSA-N	1	0	358.486	1.332	20	30		FDEDRO
CC(=O)N1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)C1	ZINC001088720442	842510248	/nfs/dbraw/zinc/51/02/48/842510248.db2.gz	LTBYCRBQIWPWAS-YSGRDPCXSA-N	1	0	368.481	1.896	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(C)ccc2C)C[C@@H]1O	ZINC001083469055	842536905	/nfs/dbraw/zinc/53/69/05/842536905.db2.gz	DVRBRUJJVMSXFN-ZRNYENFQSA-N	1	0	358.482	1.946	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C3)[C@H]2C(C)C)C1	ZINC001105660624	842565555	/nfs/dbraw/zinc/56/55/55/842565555.db2.gz	XHOFOHCMMIYNPP-MXHNKVEKSA-N	1	0	363.502	1.055	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccccc2CC)C[C@@H]1O	ZINC001083470902	842654607	/nfs/dbraw/zinc/65/46/07/842654607.db2.gz	UORYWPAXVJFRTI-CGXNFDGLSA-N	1	0	372.509	1.934	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)NC(C)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105661432	842702026	/nfs/dbraw/zinc/70/20/26/842702026.db2.gz	IPUPNKLJVAATHB-WWNBULGVSA-N	1	0	365.518	1.443	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)Cn1cc(S(=O)(=O)N(C)C)cn1	ZINC000738027822	842809556	/nfs/dbraw/zinc/80/95/56/842809556.db2.gz	QRJQSQZGVCNUCM-UHFFFAOYSA-N	1	0	361.471	1.875	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C	ZINC000990596385	842864029	/nfs/dbraw/zinc/86/40/29/842864029.db2.gz	XTCSDJCCUYKOLZ-MLHJIOFPSA-N	1	0	363.502	1.511	20	30		FDEDRO
N#Cc1cc(CN2C[C@@H]3CCN(C(=O)[C@H]4CCC(=O)NC4)[C@@H]3C2)ccc1F	ZINC001075977098	843124404	/nfs/dbraw/zinc/12/44/04/843124404.db2.gz	JHWPWGNFIYHLQD-RLFYNMQTSA-N	1	0	370.428	1.256	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCCC(N)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105666765	843317602	/nfs/dbraw/zinc/31/76/02/843317602.db2.gz	JLUZUYNPOQQQOH-YAJHFMINSA-N	1	0	363.502	1.022	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCC(=O)N(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105667051	843451713	/nfs/dbraw/zinc/45/17/13/843451713.db2.gz	NDAJMHVBQQQXES-YKCBXCCJSA-N	1	0	365.518	1.397	20	30		FDEDRO
CCn1cc(CC(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)nn1	ZINC001088764802	843495845	/nfs/dbraw/zinc/49/58/45/843495845.db2.gz	URLMPORWELIBMO-KDOFPFPSSA-N	1	0	352.442	1.491	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(C(=O)N(C)C)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667363	843619052	/nfs/dbraw/zinc/61/90/52/843619052.db2.gz	QZNWXOUNSUHGJO-YKTARERQSA-N	1	0	363.502	1.007	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CNC(=O)C(C)(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667888	843710787	/nfs/dbraw/zinc/71/07/87/843710787.db2.gz	GDKWOHHYRGEXIL-MXHNKVEKSA-N	1	0	365.518	1.301	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3[nH]cnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667936	843725452	/nfs/dbraw/zinc/72/54/52/843725452.db2.gz	GRAYKLSKIMOFMG-HNBVOPMISA-N	1	0	358.486	1.250	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCc3cccnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105668277	843782562	/nfs/dbraw/zinc/78/25/62/843782562.db2.gz	IXDMFXJKONXYMA-RMVXJAJNSA-N	1	0	371.481	1.198	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCc3cccnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105668278	843782744	/nfs/dbraw/zinc/78/27/44/843782744.db2.gz	IXDMFXJKONXYMA-UKAVVXHISA-N	1	0	371.481	1.198	20	30		FDEDRO
N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N[C@@H]3CC[NH2+]C3)c2)s1	ZINC000842162530	845129757	/nfs/dbraw/zinc/12/97/57/845129757.db2.gz	XHHJVOCJTRQMQH-CQSZACIVSA-N	1	0	354.435	1.381	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nonc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105672425	845146569	/nfs/dbraw/zinc/14/65/69/845146569.db2.gz	AFOWISZDBPYCIG-FXRXJOCMSA-N	1	0	362.474	1.924	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCn3cccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105672695	845203351	/nfs/dbraw/zinc/20/33/51/845203351.db2.gz	CSBNIKBAUZGASJ-JYBIWHBTSA-N	1	0	358.486	1.263	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1C#N	ZINC000842180744	845387927	/nfs/dbraw/zinc/38/79/27/845387927.db2.gz	PSTUIUMMZSWPOF-UHFFFAOYSA-N	1	0	370.453	1.174	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@@H]1C(C)C	ZINC001105674054	845417242	/nfs/dbraw/zinc/41/72/42/845417242.db2.gz	RYIKZKHVUMDAKL-FPAYPSAMSA-N	1	0	354.491	1.192	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCn3cccc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105675463	845703745	/nfs/dbraw/zinc/70/37/45/845703745.db2.gz	OZXLUZTYPOTJCU-UKAVVXHISA-N	1	0	357.498	1.868	20	30		FDEDRO
CN(C)c1ccc([C@H](CNC(=O)N2CCO[C@](C)(C#N)C2)[NH+](C)C)cc1	ZINC000899095823	845756261	/nfs/dbraw/zinc/75/62/61/845756261.db2.gz	MXZXXVFQHNAITB-PKOBYXMFSA-N	1	0	359.474	1.679	20	30		FDEDRO
C#CC[C@@H]1NC(=O)N(Cc2ccc(CN3CC[NH+](CC)CC3)cc2)C1=O	ZINC000842235832	845839041	/nfs/dbraw/zinc/83/90/41/845839041.db2.gz	JZCVFEICPBMSLK-SFHVURJKSA-N	1	0	354.454	1.268	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)CC#Cc2ccccc2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2	ZINC001105676541	845955485	/nfs/dbraw/zinc/95/54/85/845955485.db2.gz	WXWBZTJJNPLFSH-WKDRNLAYSA-N	1	0	370.493	1.387	20	30		FDEDRO
C[N@H+](CCO)CCNC(=O)c1cccc(OCc2ccccc2C#N)c1	ZINC000899733014	846648394	/nfs/dbraw/zinc/64/83/94/846648394.db2.gz	RKKPVMYSVGFTRY-UHFFFAOYSA-N	1	0	353.422	1.791	20	30		FDEDRO
C[N@H+](CCO)CCNC(=O)c1cccc(COc2ccccc2C#N)c1	ZINC000899734070	846651528	/nfs/dbraw/zinc/65/15/28/846651528.db2.gz	TVBJJZGKYJRQMY-UHFFFAOYSA-N	1	0	353.422	1.791	20	30		FDEDRO
Cn1ccnc1CCC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001076078025	847196297	/nfs/dbraw/zinc/19/62/97/847196297.db2.gz	LBYDUJLUXDREJY-RBUKOAKNSA-N	1	0	363.465	1.957	20	30		FDEDRO
C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1	ZINC001076070606	847202986	/nfs/dbraw/zinc/20/29/86/847202986.db2.gz	RKRBSZNPQJHKBE-HNCZQISISA-N	1	0	351.878	1.135	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](O)Cn4cccn4)C[C@H]32)cc1	ZINC001076119903	847316787	/nfs/dbraw/zinc/31/67/87/847316787.db2.gz	YHMONROKNXHQOZ-XUVXKRRUSA-N	1	0	364.449	1.072	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3C[C@]4(C)C[N@@H+](C)C[C@]4(C)C3)cc2C1=O	ZINC000913293928	861818987	/nfs/dbraw/zinc/81/89/87/861818987.db2.gz	VIQKHLSUEWJICK-OYRHEFFESA-N	1	0	367.449	1.882	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCn3nc(C)nc3C)C[C@H]21	ZINC001076263641	847721595	/nfs/dbraw/zinc/72/15/95/847721595.db2.gz	LZLFDWZAGOOSBY-MLHJIOFPSA-N	1	0	359.474	1.019	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@H]21	ZINC001076263524	847721629	/nfs/dbraw/zinc/72/16/29/847721629.db2.gz	GLIVTLIYBPNJRT-NMLBUPMWSA-N	1	0	356.466	1.803	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H]4CC(C)(C)CO4)C[C@H]32)nn1	ZINC001076336342	847882768	/nfs/dbraw/zinc/88/27/68/847882768.db2.gz	SYVHFOIIBNNPPP-YQQAZPJKSA-N	1	0	359.474	1.426	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](C[C@H](OC)C4CCC4)C[C@H]32)nn1	ZINC001076336275	847883345	/nfs/dbraw/zinc/88/33/45/847883345.db2.gz	QROQFJNJDSEQIL-JQHSSLGASA-N	1	0	359.474	1.426	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CCO[C@H]4CC4(F)F)C[C@H]32)nc1	ZINC001076475991	848239672	/nfs/dbraw/zinc/23/96/72/848239672.db2.gz	PHUDIFULJYGLMZ-UAGQMJEPSA-N	1	0	361.392	1.633	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(Cl)no4)[C@@H]3C2)C1=O	ZINC001076487188	848263177	/nfs/dbraw/zinc/26/31/77/848263177.db2.gz	XKOQFHKCFMOGMN-YNEHKIRRSA-N	1	0	364.833	1.261	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]21	ZINC001076500738	848293977	/nfs/dbraw/zinc/29/39/77/848293977.db2.gz	NJOXUDJRLMWPTL-VQTJNVASSA-N	1	0	365.477	1.366	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C1	ZINC000938219976	848399985	/nfs/dbraw/zinc/39/99/85/848399985.db2.gz	COVZRZNVKPPLJS-DAYGRLMNSA-N	1	0	368.437	1.875	20	30		FDEDRO
C#CCOc1ccc(C(=O)NCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1	ZINC001076573333	848446804	/nfs/dbraw/zinc/44/68/04/848446804.db2.gz	SSCLNMQOWBRPQU-FRQCXROJSA-N	1	0	371.481	1.663	20	30		FDEDRO
C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(Cc4cc(C#N)ccc4F)C[C@H]32)C1	ZINC001076568101	848461881	/nfs/dbraw/zinc/46/18/81/848461881.db2.gz	VBCYAIFUVQPXCV-TXPKVOOTSA-N	1	0	356.445	1.682	20	30		FDEDRO
CCN1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)C1	ZINC001076594964	848521126	/nfs/dbraw/zinc/52/11/26/848521126.db2.gz	ZDGFQAJWWZMIBW-XUVXKRRUSA-N	1	0	368.481	1.312	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(Cc4cscn4)C[C@H]32)CC1	ZINC001076605605	848556295	/nfs/dbraw/zinc/55/62/95/848556295.db2.gz	ISRMBQZJHRRDBA-FUHWJXTLSA-N	1	0	358.511	1.521	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)C1CC[NH+](C)CC1	ZINC001076726733	848857901	/nfs/dbraw/zinc/85/79/01/848857901.db2.gz	UZQVDTSNQMHCDI-XIRDDKMYSA-N	1	0	351.491	1.320	20	30		FDEDRO
CCc1ccccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1	ZINC001076898595	849283912	/nfs/dbraw/zinc/28/39/12/849283912.db2.gz	QPDYSDNMHDELFL-RTBURBONSA-N	1	0	352.438	1.466	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC[C@H](C)NC(=O)[C@@H]2CCO[C@H]2CC)CC1	ZINC001076916103	849309939	/nfs/dbraw/zinc/30/99/39/849309939.db2.gz	UDOXGNQLDWFXAO-JQHSSLGASA-N	1	0	363.502	1.158	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2C)C[C@H]1O	ZINC001077016286	849567693	/nfs/dbraw/zinc/56/76/93/849567693.db2.gz	IXESAFARGHCVFV-WTGUMLROSA-N	1	0	358.482	1.946	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CC#Cc3ccc(F)cc3)C[C@H]2O)CC[N@@H+]1C	ZINC001077026819	849573561	/nfs/dbraw/zinc/57/35/61/849573561.db2.gz	MEVMQOVTKVDCIS-MTQWCTHYSA-N	1	0	373.472	1.069	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@H]2O)C1	ZINC001077128000	849836940	/nfs/dbraw/zinc/83/69/40/849836940.db2.gz	SXLKWMUVLRNDTL-XUVXKRRUSA-N	1	0	370.497	1.197	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1O	ZINC001077138299	849869480	/nfs/dbraw/zinc/86/94/80/849869480.db2.gz	BROCGYXGGVKAAM-IEBWSBKVSA-N	1	0	361.486	1.656	20	30		FDEDRO
CO[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000483731063	849902262	/nfs/dbraw/zinc/90/22/62/849902262.db2.gz	QZVBTWUFINFOJQ-GOEBONIOSA-N	1	0	361.446	1.051	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1	ZINC001077164649	849968133	/nfs/dbraw/zinc/96/81/33/849968133.db2.gz	ULQMZTARVKPZOA-NCXUSEDFSA-N	1	0	360.454	1.271	20	30		FDEDRO
CCC(=O)N1CC[C@H](NC(NCc2cn3cc(Cl)ccc3n2)=[NH+]C)C1	ZINC000161137200	849995369	/nfs/dbraw/zinc/99/53/69/849995369.db2.gz	IFGXWBAZSWEZCC-ZDUSSCGKSA-N	1	0	362.865	1.664	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@H]2O)cc1	ZINC001077245622	850232345	/nfs/dbraw/zinc/23/23/45/850232345.db2.gz	BZSOIBQZGHBBAS-IPMKNSEASA-N	1	0	360.454	1.595	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@H]2O)cc1	ZINC001077245935	850234493	/nfs/dbraw/zinc/23/44/93/850234493.db2.gz	MJOYEYSFKZUTSL-KFKAGJAMSA-N	1	0	360.454	1.453	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CCSCC)C[C@]2(C)C1	ZINC001101147891	850825601	/nfs/dbraw/zinc/82/56/01/850825601.db2.gz	VHDZPKYYUUZWGC-RKVPGOIHSA-N	1	0	351.516	1.048	20	30		FDEDRO
COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1	ZINC000904535442	851281047	/nfs/dbraw/zinc/28/10/47/851281047.db2.gz	LAKFWCCHGXRKQH-GOSISDBHSA-N	1	0	368.441	1.645	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1	ZINC000904958681	851553202	/nfs/dbraw/zinc/55/32/02/851553202.db2.gz	BCFMJMXYPBMIJK-RDJZCZTQSA-N	1	0	374.510	1.959	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1	ZINC000904986374	851586718	/nfs/dbraw/zinc/58/67/18/851586718.db2.gz	JJTVKWDLLJNVSN-HUUCEWRRSA-N	1	0	360.483	1.426	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)C(C)(C)n1ccc(NC(=O)OC(C)(C)C)n1	ZINC000913524282	862289397	/nfs/dbraw/zinc/28/93/97/862289397.db2.gz	GVLJNNYZCORDOS-UHFFFAOYSA-N	1	0	363.462	1.646	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@H]1Cc2ccc(O)cc2N1C(=O)OC(C)(C)C	ZINC000913524904	862290080	/nfs/dbraw/zinc/29/00/80/862290080.db2.gz	BIWPYCFVTYGPKJ-QGZVFWFLSA-N	1	0	373.453	1.740	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1	ZINC000905355323	851853431	/nfs/dbraw/zinc/85/34/31/851853431.db2.gz	CBPIXSHSIFCFSI-KRWDZBQOSA-N	1	0	363.483	1.966	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1	ZINC000913514320	862293083	/nfs/dbraw/zinc/29/30/83/862293083.db2.gz	MDYCOKWJFYVZDZ-QGZVFWFLSA-N	1	0	369.490	1.770	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F	ZINC000913522096	862306265	/nfs/dbraw/zinc/30/62/65/862306265.db2.gz	ZVVBWKIDEPUVPL-ZDUSSCGKSA-N	1	0	359.417	1.560	20	30		FDEDRO
CN(CCC#N)C[C@H](O)CNc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000905438449	851942269	/nfs/dbraw/zinc/94/22/69/851942269.db2.gz	KIEMWUWVUAKCMK-VQTJNVASSA-N	1	0	357.502	1.589	20	30		FDEDRO
C[C@@H]1OC[C@]2(CC[C@H](C[NH2+]C[C@@H](O)CC3(C#N)CCOCC3)O2)[C@H]1C	ZINC000905481048	851952839	/nfs/dbraw/zinc/95/28/39/851952839.db2.gz	CTDXAXALBRRYFK-YTGMWSOZSA-N	1	0	352.475	1.620	20	30		FDEDRO
COc1cccc([C@@H]2[C@@H](C(=O)NCC#CC[NH+](C)C)CC(=O)N2C2CC2)c1	ZINC000913520237	862304892	/nfs/dbraw/zinc/30/48/92/862304892.db2.gz	JCQXPECXPFQZTL-AZUAARDMSA-N	1	0	369.465	1.428	20	30		FDEDRO
Cc1cc(C)cc(C(=O)N2CCCC[C@H]2C(=O)NCC#CC[NH+](C)C)c1	ZINC000913520602	862306953	/nfs/dbraw/zinc/30/69/53/862306953.db2.gz	UTPDYIKBZNCHOG-IBGZPJMESA-N	1	0	355.482	1.979	20	30		FDEDRO
C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+]C[C@H](O)COc1ccc(C#N)cc1)O2	ZINC000905486217	851987104	/nfs/dbraw/zinc/98/71/04/851987104.db2.gz	MYILTVDWPNLSSM-IBMXSDLOSA-N	1	0	360.454	1.860	20	30		FDEDRO
C[C@H]1Cc2cc(C[NH2+]CCS(=O)(=O)c3ccc(C#N)cn3)ccc2O1	ZINC000905564420	852039152	/nfs/dbraw/zinc/03/91/52/852039152.db2.gz	MBOFBBALUCDIJD-ZDUSSCGKSA-N	1	0	357.435	1.840	20	30		FDEDRO
N#Cc1ccccc1-c1ccccc1C(=O)NC1CCN(CC(N)=O)CC1	ZINC000043122495	852071483	/nfs/dbraw/zinc/07/14/83/852071483.db2.gz	GNHPPOHJHGGXNB-UHFFFAOYSA-N	1	0	362.433	1.905	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2c3ccccc3CC[C@H]2O)c1	ZINC000905635714	852105624	/nfs/dbraw/zinc/10/56/24/852105624.db2.gz	ZSZRCZFLYRXKLH-MOPGFXCFSA-N	1	0	356.447	1.970	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)CNCc1ncc(Br)cn1	ZINC000905669045	852154415	/nfs/dbraw/zinc/15/44/15/852154415.db2.gz	RAHMPBJMJLNDOU-ZDUSSCGKSA-N	1	0	363.215	1.640	20	30		FDEDRO
C[C@@]1([C@H]2CCCN(Cn3cc4c(c(C#N)c3=O)CCCC4)C2)COC(=O)N1	ZINC000905700464	852181149	/nfs/dbraw/zinc/18/11/49/852181149.db2.gz	HMBWQVRYWAAHDI-YWZLYKJASA-N	1	0	370.453	1.767	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c1	ZINC000658402782	852779023	/nfs/dbraw/zinc/77/90/23/852779023.db2.gz	UILQEEDWOVCADM-OAHLLOKOSA-N	1	0	363.483	1.555	20	30		FDEDRO
C#CCN(C(=O)[C@@H](C)NC(=O)OCc1ccccc1)C1CC[NH+](C)CC1	ZINC000906451503	852900443	/nfs/dbraw/zinc/90/04/43/852900443.db2.gz	GTBWXHWOEFFYCR-MRXNPFEDSA-N	1	0	357.454	1.857	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2cccn2CCN2CCOCC2)CC1	ZINC000906594318	853061673	/nfs/dbraw/zinc/06/16/73/853061673.db2.gz	XOOJRWCAXCHTNZ-UHFFFAOYSA-N	1	0	360.502	1.591	20	30		FDEDRO
C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@@]2(C#N)CC3CCC2CC3)CC1	ZINC000906683790	853162049	/nfs/dbraw/zinc/16/20/49/853162049.db2.gz	PXORJVQEZJJKSV-MKJPBZQASA-N	1	0	360.502	1.623	20	30		FDEDRO
O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2	ZINC000906724457	853265484	/nfs/dbraw/zinc/26/54/84/853265484.db2.gz	GEQNJLMFYKAADW-CEXWTWQISA-N	1	0	360.417	1.429	20	30		FDEDRO
C[C@@H]1C[C@@H](C)C[NH+](CCCCNS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000906845079	853394973	/nfs/dbraw/zinc/39/49/73/853394973.db2.gz	ODSRYCHVFSHFNC-HUUCEWRRSA-N	1	0	350.488	1.990	20	30		FDEDRO
CN1CC[N@H+](C)CC(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000906893074	853513084	/nfs/dbraw/zinc/51/30/84/853513084.db2.gz	LAWYLRBYCGEVDR-UHFFFAOYSA-N	1	0	353.388	1.667	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)cn2)CC1	ZINC000906928185	853521407	/nfs/dbraw/zinc/52/14/07/853521407.db2.gz	JUVPKEUJTMCVCB-UHFFFAOYSA-N	1	0	352.460	1.121	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000907015724	853695971	/nfs/dbraw/zinc/69/59/71/853695971.db2.gz	DBLHJFJGUZUMBR-HNNXBMFYSA-N	1	0	352.460	1.075	20	30		FDEDRO
C=CCC1(C(=O)NC[C@@](C)(O)C[NH+](C)C)CN(C(=O)OC(C)(C)C)C1	ZINC000907116175	853824511	/nfs/dbraw/zinc/82/45/11/853824511.db2.gz	OENLESNZUUHFQX-QGZVFWFLSA-N	1	0	355.479	1.228	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2	ZINC000907207756	853914679	/nfs/dbraw/zinc/91/46/79/853914679.db2.gz	PZHUTBRSEPPULF-UHFFFAOYSA-N	1	0	363.483	1.540	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)NC2CC[NH+](C3CCOCC3)CC2)ccc1F	ZINC000907328019	854081848	/nfs/dbraw/zinc/08/18/48/854081848.db2.gz	JSQKRSOILGFRQZ-UHFFFAOYSA-N	1	0	367.446	1.619	20	30		FDEDRO
N#Cc1cc(CS(=O)(=O)NC2CC[NH+](C3CCOCC3)CC2)cs1	ZINC000907328992	854083527	/nfs/dbraw/zinc/08/35/27/854083527.db2.gz	KMGWAKCWKWSLKJ-UHFFFAOYSA-N	1	0	369.512	1.683	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1	ZINC000907366607	854109952	/nfs/dbraw/zinc/10/99/52/854109952.db2.gz	MSUUGERFAXHDLL-JONQDZQNSA-N	1	0	362.474	1.879	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1	ZINC000669209608	862537654	/nfs/dbraw/zinc/53/76/54/862537654.db2.gz	LKMKFIZABYUNPW-FUHWJXTLSA-N	1	0	359.470	1.475	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(OC)c1OC	ZINC000907428347	854197426	/nfs/dbraw/zinc/19/74/26/854197426.db2.gz	CHVDPPSWYMSDPG-UHFFFAOYSA-N	1	0	352.456	1.422	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC2)c1C#N	ZINC000907664194	854481427	/nfs/dbraw/zinc/48/14/27/854481427.db2.gz	OPPIEXGSMHHGCO-DOTOQJQBSA-N	1	0	356.474	1.266	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1OC	ZINC001212149055	862600549	/nfs/dbraw/zinc/60/05/49/862600549.db2.gz	ZORUHRRONBJERZ-HUUCEWRRSA-N	1	0	364.408	1.964	20	30		FDEDRO
CN1CC[N@H+](C)CC(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1	ZINC000908007755	854897152	/nfs/dbraw/zinc/89/71/52/854897152.db2.gz	WSBSMHQBAVDHNY-UHFFFAOYSA-N	1	0	356.348	1.889	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC2)c1C#N	ZINC000908284336	855267301	/nfs/dbraw/zinc/26/73/01/855267301.db2.gz	CFJVBUDXQYCMNK-HOCLYGCPSA-N	1	0	359.499	1.989	20	30		FDEDRO
C=CCn1c(C2CC2)nnc1N1CCC(C(N)=O)([NH+]2CCCCC2)CC1	ZINC000908637125	855635229	/nfs/dbraw/zinc/63/52/29/855635229.db2.gz	RAAYDCKECZDEBN-UHFFFAOYSA-N	1	0	358.490	1.652	20	30		FDEDRO
C#CCCCc1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1CC=C	ZINC000908721523	855701064	/nfs/dbraw/zinc/70/10/64/855701064.db2.gz	ODYUJQZWYKUOIC-UHFFFAOYSA-N	1	0	357.502	1.969	20	30		FDEDRO
C=CCn1c(-c2ncnc3[nH]cnc32)nnc1N1CC[NH+](C2CCC2)CC1	ZINC000908711849	855714855	/nfs/dbraw/zinc/71/48/55/855714855.db2.gz	LSIVSXLSUAWRRJ-UHFFFAOYSA-N	1	0	365.445	1.424	20	30		FDEDRO
C=CCn1c(-c2ncon2)nnc1N1CCN(c2cc[nH+]cc2OC)CC1	ZINC000908732563	855727382	/nfs/dbraw/zinc/72/73/82/855727382.db2.gz	RITLVUNRIOBMMJ-UHFFFAOYSA-N	1	0	368.401	1.244	20	30		FDEDRO
C#CCCCc1nnc(N2CCN(c3cc[nH+]cc3OC)CC2)n1CC	ZINC000908866716	855900502	/nfs/dbraw/zinc/90/05/02/855900502.db2.gz	VXKIKJMLONDTFT-UHFFFAOYSA-N	1	0	354.458	1.984	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2cccc(C)c2)C[C@H]1OC	ZINC001212152244	862788460	/nfs/dbraw/zinc/78/84/60/862788460.db2.gz	LAVRGSUECOSQFB-CGTJXYLNSA-N	1	0	357.454	1.011	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1	ZINC000668814977	856989632	/nfs/dbraw/zinc/98/96/32/856989632.db2.gz	ZUPYMPRMXRZYAD-IEBWSBKVSA-N	1	0	373.497	1.865	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[N@@H+](CC)C[C@H]2C)cc1	ZINC000910293803	857069350	/nfs/dbraw/zinc/06/93/50/857069350.db2.gz	ANYNGBFSOHYVOR-OAHLLOKOSA-N	1	0	365.499	1.707	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](OC)C2CCCCC2)CC1	ZINC000668835774	857513568	/nfs/dbraw/zinc/51/35/68/857513568.db2.gz	JIPQUGWGKROLEY-SFHVURJKSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCc3ccc(O)cc32)CC1	ZINC000668835816	857527524	/nfs/dbraw/zinc/52/75/24/857527524.db2.gz	KFNZMBIXMBLEKR-SFHVURJKSA-N	1	0	357.454	1.652	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](CC)COCC2CC2)CC1	ZINC000668843599	857732295	/nfs/dbraw/zinc/73/22/95/857732295.db2.gz	VDQGZZAVZZSFTF-INIZCTEOSA-N	1	0	351.491	1.465	20	30		FDEDRO
C[C@@H]1C[C@@H](C)CN(C(=O)C(=O)N(c2ccc(C#N)cn2)[C@H]2CCC[NH2+]C2)C1	ZINC000910858411	857787857	/nfs/dbraw/zinc/78/78/57/857787857.db2.gz	NPVCTKLIQOJQAV-INMHGKMJSA-N	1	0	369.469	1.543	20	30		FDEDRO
C#CCN(C(=O)C(=O)N(C)Cc1ccc(Cl)cc1)C1CC[NH+](C)CC1	ZINC000910884727	857834561	/nfs/dbraw/zinc/83/45/61/857834561.db2.gz	DBRLKZRIUWJDEJ-UHFFFAOYSA-N	1	0	361.873	1.854	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CC[C@H](c2nccs2)C1)C1CC[NH+](C)CC1	ZINC000910888163	857843005	/nfs/dbraw/zinc/84/30/05/857843005.db2.gz	XJSLEHYDZJQDAA-AWEZNQCLSA-N	1	0	360.483	1.015	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1)c1ccncc1	ZINC000911001708	858019117	/nfs/dbraw/zinc/01/91/17/858019117.db2.gz	NBZZRALPGXFCOG-MJBXVCDLSA-N	1	0	370.375	1.553	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N1CCC(C[NH3+])(c2ccccc2)CC1	ZINC000911013784	858038201	/nfs/dbraw/zinc/03/82/01/858038201.db2.gz	DTGHUYNVXZHQHR-UHFFFAOYSA-N	1	0	359.470	1.214	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)Cc1cn(C)nn1	ZINC000669334590	863001485	/nfs/dbraw/zinc/00/14/85/863001485.db2.gz	BZCILOUHTWBVQJ-CVEARBPZSA-N	1	0	372.477	1.155	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21	ZINC000911330261	858471387	/nfs/dbraw/zinc/47/13/87/858471387.db2.gz	JMCOIRDAWAJUME-OXQOHEQNSA-N	1	0	373.453	1.067	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1	ZINC000911403748	858592690	/nfs/dbraw/zinc/59/26/90/858592690.db2.gz	SOGYJTOOTFDBFX-FUHWJXTLSA-N	1	0	366.396	1.267	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)c1	ZINC000911404203	858593565	/nfs/dbraw/zinc/59/35/65/858593565.db2.gz	XYEORJLAYUTXAQ-INIZCTEOSA-N	1	0	372.444	1.552	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[C@H]4[NH2+]3)CC2)c1	ZINC000911635681	858872599	/nfs/dbraw/zinc/87/25/99/858872599.db2.gz	KVDANLXYHUAWGZ-KSZLIROESA-N	1	0	353.470	1.913	20	30		FDEDRO
CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1	ZINC000912255968	859510494	/nfs/dbraw/zinc/51/04/94/859510494.db2.gz	QCWLKUNWTVKVQV-LJQANCHMSA-N	1	0	366.469	1.667	20	30		FDEDRO
C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCC(Nc3ccccc3C#N)CC2)C1	ZINC000912534668	859870924	/nfs/dbraw/zinc/87/09/24/859870924.db2.gz	FYHUSQLBGRHICE-HXUWFJFHSA-N	1	0	356.470	1.808	20	30		FDEDRO
C#CC[C@]1(C(=O)N(C)CC[N@H+](C)CCO)CCCN1C(=O)OC(C)(C)C	ZINC000912604810	859946240	/nfs/dbraw/zinc/94/62/40/859946240.db2.gz	RAPRUPIAHYTBJB-LJQANCHMSA-N	1	0	367.490	1.162	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)CN(C)CCN2CCOCC2)cc1	ZINC000490213041	860922218	/nfs/dbraw/zinc/92/22/18/860922218.db2.gz	POFAUVORPPCVNL-UHFFFAOYSA-N	1	0	374.485	1.596	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CC[C@H]([NH+]2CCC2)C1	ZINC000912902782	861034073	/nfs/dbraw/zinc/03/40/73/861034073.db2.gz	FXBQMXXJRFDULO-LSDHHAIUSA-N	1	0	350.463	1.880	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](O)C1	ZINC001083667444	861133682	/nfs/dbraw/zinc/13/36/82/861133682.db2.gz	UHORFYCPCDRJMX-SJORKVTESA-N	1	0	351.878	1.318	20	30		FDEDRO
C#CC1(O)CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)CC1	ZINC000912971467	861165248	/nfs/dbraw/zinc/16/52/48/861165248.db2.gz	NAGNQWJNGYUODH-CTNGQTDRSA-N	1	0	368.477	1.512	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001105795845	863226224	/nfs/dbraw/zinc/22/62/24/863226224.db2.gz	FTEZTVHTXHVMEX-NVXWUHKLSA-N	1	0	350.422	1.532	20	30		FDEDRO
COC(=O)Cc1ccccc1C[NH+]1CCN(c2cccc(C#N)n2)CC1	ZINC000760913890	863440787	/nfs/dbraw/zinc/44/07/87/863440787.db2.gz	ZBSYDUULZKSOKO-UHFFFAOYSA-N	1	0	350.422	1.991	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CCOCC(C)C)C[C@H]2C)C1=O	ZINC001105864588	863535984	/nfs/dbraw/zinc/53/59/84/863535984.db2.gz	YJYQKZBDSKWAKY-KURKYZTESA-N	1	0	365.518	1.520	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCCNC(=O)C2CC2)C[C@H]1C(F)(F)F	ZINC001112110340	863727213	/nfs/dbraw/zinc/72/72/13/863727213.db2.gz	KKTVVNRLTVHJFP-ZIAGYGMSSA-N	1	0	359.392	1.295	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)COC(C)C)C[C@H]1C	ZINC001105902681	863813492	/nfs/dbraw/zinc/81/34/92/863813492.db2.gz	GIGBTMIBIBZHTJ-FGTMMUONSA-N	1	0	367.534	1.909	20	30		FDEDRO
C#CCNS(=O)(=O)N1CC[NH+](CCCc2cccc3ccccc32)CC1	ZINC000761037266	863848754	/nfs/dbraw/zinc/84/87/54/863848754.db2.gz	NXHQCLVUNHWKFT-UHFFFAOYSA-N	1	0	371.506	1.858	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@H]1C	ZINC001105910731	863925652	/nfs/dbraw/zinc/92/56/52/863925652.db2.gz	WTTVETYQXGVKRE-IXDOHACOSA-N	1	0	351.491	1.132	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CC[N@H+](C)[C@@H](C)C1	ZINC000761076244	864034142	/nfs/dbraw/zinc/03/41/42/864034142.db2.gz	MAIRZNJNZKUVIU-AWEZNQCLSA-N	1	0	361.490	1.588	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CCOCC)C[C@H]1C	ZINC001105927028	864055663	/nfs/dbraw/zinc/05/56/63/864055663.db2.gz	TXNYSHHNYODHMD-IAGOWNOFSA-N	1	0	353.507	1.522	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)Nc2cc(C)no2)[C@H](C)C1	ZINC001105938315	864132096	/nfs/dbraw/zinc/13/20/96/864132096.db2.gz	PKPJYUDBMNDFEJ-VHDGCEQUSA-N	1	0	364.446	1.197	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@H](C)CCCCC)[C@H](C)C1	ZINC001105938792	864133795	/nfs/dbraw/zinc/13/37/95/864133795.db2.gz	ZJOOFPFCWJMRTJ-KZNAEPCWSA-N	1	0	367.534	1.958	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C(C)C)C(C)C)[C@H](C)C1	ZINC001105942724	864162147	/nfs/dbraw/zinc/16/21/47/864162147.db2.gz	NLJXUUCQKYLECC-IAGOWNOFSA-N	1	0	353.507	1.519	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCC[C@H]2C)[C@H](C)C1	ZINC001105943150	864165541	/nfs/dbraw/zinc/16/55/41/864165541.db2.gz	XOFCTVMTVMSAMZ-BRWVUGGUSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)c(C#N)c2)[C@H](C)C1	ZINC001105942197	864167305	/nfs/dbraw/zinc/16/73/05/864167305.db2.gz	BHLMOBCIXIAWGI-CRAIPNDOSA-N	1	0	357.454	1.954	20	30		FDEDRO
CCS(=O)(=O)CCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C	ZINC001105946147	864188907	/nfs/dbraw/zinc/18/89/07/864188907.db2.gz	MELSVNLGHUQTAD-ARFHVFGLSA-N	1	0	357.520	1.435	20	30		FDEDRO
Cc1ccc(CNC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)s1	ZINC001105952094	864212172	/nfs/dbraw/zinc/21/21/72/864212172.db2.gz	QEVTZKCIYVTGSO-GZBFAFLISA-N	1	0	362.499	1.517	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)CCC)C[C@H]1C	ZINC001105958341	864232994	/nfs/dbraw/zinc/23/29/94/864232994.db2.gz	CCCPCDHEONIKGK-RRFJBIMHSA-N	1	0	352.479	1.119	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]CCCCCn1cncn1	ZINC001105988647	864376378	/nfs/dbraw/zinc/37/63/78/864376378.db2.gz	CGUGLASTNBRVSQ-NVXWUHKLSA-N	1	0	369.473	1.646	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C)C(=O)NC1CCCC1	ZINC001105989167	864381710	/nfs/dbraw/zinc/38/17/10/864381710.db2.gz	QQLZQXUGCXXPTM-IJEWVQPXSA-N	1	0	371.485	1.631	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1CN([C@H](C)C(=O)N2CCCCCC2)C[C@H]1OC	ZINC001212184766	864527024	/nfs/dbraw/zinc/52/70/24/864527024.db2.gz	HCDKCZIBDHNWHG-KZNAEPCWSA-N	1	0	363.502	1.396	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](C[C@@H]3CCc4ncnn43)[C@@H]2C)c1	ZINC001088846915	864553805	/nfs/dbraw/zinc/55/38/05/864553805.db2.gz	NTJUGBJROSDZCY-COXVUDFISA-N	1	0	350.426	1.035	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1OC	ZINC001212185428	864627470	/nfs/dbraw/zinc/62/74/70/864627470.db2.gz	UTJSQMAPIQUVOF-ZIAGYGMSSA-N	1	0	350.381	1.574	20	30		FDEDRO
CC(C)[C@@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC001106015559	864655123	/nfs/dbraw/zinc/65/51/23/864655123.db2.gz	GPDHLSVKQMWRPM-RBSFLKMASA-N	1	0	359.474	1.345	20	30		FDEDRO
CC[C@@H](C)OCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CCC#N)[C@H](C)C1	ZINC001106021603	864721585	/nfs/dbraw/zinc/72/15/85/864721585.db2.gz	ZJEQECFLEUUZTI-BRWVUGGUSA-N	1	0	366.506	1.248	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cc(C)no2)[C@H](C)C1	ZINC001106025767	864814417	/nfs/dbraw/zinc/81/44/17/864814417.db2.gz	HAHAGJQLQQXMEB-GDBMZVCRSA-N	1	0	360.458	1.799	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]CCOC[C@H]1CCCO1	ZINC001106027819	864864567	/nfs/dbraw/zinc/86/45/67/864864567.db2.gz	HQSHECZAARYFGO-QGPMSJSTSA-N	1	0	360.458	1.380	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2cc(C)ccc2C)[C@H](C)C1	ZINC001106029579	864885095	/nfs/dbraw/zinc/88/50/95/864885095.db2.gz	YXVNFXVKAWPAFE-IEBWSBKVSA-N	1	0	355.482	1.627	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[C@H](C)OC)C[C@H]1C	ZINC001106039696	864936988	/nfs/dbraw/zinc/93/69/88/864936988.db2.gz	ZRBVSHLXXLLCDZ-FGTMMUONSA-N	1	0	367.534	1.910	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]CC[C@@H]2CCS(=O)(=O)C2)[C@H](C)C1	ZINC001106065147	865105876	/nfs/dbraw/zinc/10/58/76/865105876.db2.gz	RDTVKTOFJKGCSX-BRWVUGGUSA-N	1	0	354.516	1.299	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nc(CC3CC3)no2)[C@H](C)C1	ZINC001106065444	865112722	/nfs/dbraw/zinc/11/27/22/865112722.db2.gz	YUKSINOHGGIGAP-MUKKUYKPSA-N	1	0	362.474	1.533	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](OC)C2CC2)C[C@H]1C	ZINC001106072246	865227159	/nfs/dbraw/zinc/22/71/59/865227159.db2.gz	SLFVTRVYYGXYSW-SUMDDJOVSA-N	1	0	363.502	1.296	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088916402	865424262	/nfs/dbraw/zinc/42/42/62/865424262.db2.gz	QDUANRZZSRQKMI-HFTRVMKXSA-N	1	0	370.453	1.337	20	30		FDEDRO
CC(=O)N1CC[C@](C)(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)C1	ZINC001088964573	865760269	/nfs/dbraw/zinc/76/02/69/865760269.db2.gz	HCYUXTHZPIJTCW-JJXUHFIVSA-N	1	0	368.481	1.896	20	30		FDEDRO
CC[N@H+](C)C[C@H]1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C1	ZINC000173492168	865977828	/nfs/dbraw/zinc/97/78/28/865977828.db2.gz	WWJNGYIDURMKGI-MRXNPFEDSA-N	1	0	369.469	1.554	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](CCc2cnn(C)c2)[C@@H]1C	ZINC001089005794	866007132	/nfs/dbraw/zinc/00/71/32/866007132.db2.gz	YDPSIUWRESVCDF-UZLBHIALSA-N	1	0	350.466	1.766	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@H]1OC	ZINC001212194007	866047821	/nfs/dbraw/zinc/04/78/21/866047821.db2.gz	MJNPOSFUZNRTIU-GGPKGHCWSA-N	1	0	368.518	1.726	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2C)C[C@H]1OC	ZINC001212194772	866266881	/nfs/dbraw/zinc/26/68/81/866266881.db2.gz	WSHFMTWROGVZDX-POAQFYNOSA-N	1	0	362.470	1.516	20	30		FDEDRO
C=CCn1c(CC(C)C)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1	ZINC000282480233	881966396	/nfs/dbraw/zinc/96/63/96/881966396.db2.gz	CGSQVBGJURDAJB-UHFFFAOYSA-N	1	0	362.522	1.653	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](Nc2ccnc(C)n2)[C@@H](n2ccnn2)C1	ZINC001089093271	866942521	/nfs/dbraw/zinc/94/25/21/866942521.db2.gz	IIAOOIGUOABVOB-XHSDSOJGSA-N	1	0	355.446	1.843	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1	ZINC000992038496	867373865	/nfs/dbraw/zinc/37/38/65/867373865.db2.gz	XOMUUNFMQCZZAC-BZSNNMDCSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1	ZINC000992038552	867374252	/nfs/dbraw/zinc/37/42/52/867374252.db2.gz	YLNNXDMHYJWLFH-KSZLIROESA-N	1	0	363.502	1.415	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1	ZINC000992072288	867681658	/nfs/dbraw/zinc/68/16/58/867681658.db2.gz	YXMKHBAUBWTIIP-NXHRZFHOSA-N	1	0	363.502	1.559	20	30		FDEDRO
COc1ccnc(C(=N)Nc2cccc3c2NC(=O)C32CC[NH2+]CC2)n1	ZINC001168428736	867774964	/nfs/dbraw/zinc/77/49/64/867774964.db2.gz	ZLXLBUCYAZLXEG-UHFFFAOYSA-N	1	0	352.398	1.096	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(Cc3ccc(OC)c(F)c3)C[C@H]2O)cc1	ZINC001077493535	867960415	/nfs/dbraw/zinc/96/04/15/867960415.db2.gz	ANEWVIWXCJECRR-RTBURBONSA-N	1	0	368.408	1.791	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@H](OC)c3ccccc3)C[C@H]2O)cc1	ZINC001077493786	867961554	/nfs/dbraw/zinc/96/15/54/867961554.db2.gz	KJYCUPCWMHGZTK-NJYVYQBISA-N	1	0	364.445	1.831	20	30		FDEDRO
CC[C@@H]1CN(C(=O)NCc2ccc(C#N)c(OC)c2)CC[N@@H+]1C[C@H](C)O	ZINC000462480495	868002841	/nfs/dbraw/zinc/00/28/41/868002841.db2.gz	MQYMTXAHUVXTHA-WMLDXEAASA-N	1	0	360.458	1.553	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC(NC(=O)C23CC[NH+](CC2)C3)C1	ZINC000992144271	868014603	/nfs/dbraw/zinc/01/46/03/868014603.db2.gz	FNIOHMLDVAQSMF-GQGLESIBSA-N	1	0	361.486	1.074	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2CC[C@]3(NC(=O)[C@H]4C[C@H]4C(N)=O)CCC[C@H]23)c1	ZINC000992175103	868155736	/nfs/dbraw/zinc/15/57/36/868155736.db2.gz	FKIYESWJCUNNPQ-NHAYFPRASA-N	1	0	352.438	1.293	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C)C(=O)N1CCC(C)CC1	ZINC001106105959	868163987	/nfs/dbraw/zinc/16/39/87/868163987.db2.gz	AVMUETABYNHMDI-ZIFCJYIRSA-N	1	0	359.514	1.731	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]CC(=O)NC1CCCCCC1	ZINC001106106291	868183136	/nfs/dbraw/zinc/18/31/36/868183136.db2.gz	QNVPMAHSPCORPD-SJLPKXTDSA-N	1	0	359.514	1.923	20	30		FDEDRO
Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2C)on1	ZINC001106106486	868190906	/nfs/dbraw/zinc/19/09/06/868190906.db2.gz	ZMJRTZABLFNTER-UKRRQHHQSA-N	1	0	360.458	1.655	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3nonc3C)C[C@H]2CC1	ZINC000946787060	882166158	/nfs/dbraw/zinc/16/61/58/882166158.db2.gz	YRRJHMHFCDYTPG-HPFXQQBRSA-N	1	0	360.458	1.640	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C[NH2+]C[C@H]1CCS(=O)(=O)C1	ZINC001106109782	868313934	/nfs/dbraw/zinc/31/39/34/868313934.db2.gz	USLMMVMZVJBXSY-BZUAXINKSA-N	1	0	354.516	1.155	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nc3ccccc3n2C)[C@H](C)C1	ZINC001106111717	868397172	/nfs/dbraw/zinc/39/71/72/868397172.db2.gz	QAHVPKTYDHFDFX-IXDOHACOSA-N	1	0	368.481	1.796	20	30		FDEDRO
COCCO[C@@H]1COCC[C@@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000463276691	868428647	/nfs/dbraw/zinc/42/86/47/868428647.db2.gz	ANINPNIIYUIOGZ-LEWJYISDSA-N	1	0	373.497	1.933	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCCCC2)[C@H](C)C1	ZINC001106114548	868496099	/nfs/dbraw/zinc/49/60/99/868496099.db2.gz	BTFUONQUODFKNW-IAGOWNOFSA-N	1	0	363.502	1.159	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2nc3ccccc3n2C)[C@H](C)C1	ZINC001106115024	868513467	/nfs/dbraw/zinc/51/34/67/868513467.db2.gz	MEPUMCYRPFPSRT-IAGOWNOFSA-N	1	0	368.481	1.797	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2ncnn2C(C)(C)C)[C@H](C)C1	ZINC001106115473	868523288	/nfs/dbraw/zinc/52/32/88/868523288.db2.gz	XQARAIGOVKOVGS-HZPDHXFCSA-N	1	0	361.490	1.257	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2cccc(C(N)=O)c2)[C@H](C)C1	ZINC001106115526	868524944	/nfs/dbraw/zinc/52/49/44/868524944.db2.gz	YSSUVGLXZMMBEB-CRAIPNDOSA-N	1	0	357.454	1.010	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H]3CCNC3=O)[C@H](C)C2)cc1	ZINC001106120372	868726405	/nfs/dbraw/zinc/72/64/05/868726405.db2.gz	SZKCYGYLRKWAJF-SZVBFZGTSA-N	1	0	369.465	1.275	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CCOCC3CC3)C[C@H]2C)C1=O	ZINC001106121061	868775163	/nfs/dbraw/zinc/77/51/63/868775163.db2.gz	MRAHSVRZAIEJHG-KBAYOESNSA-N	1	0	363.502	1.274	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(Cc3cn(C(C)C)nc3C)C[C@@H]2O)cc1	ZINC001083691306	869089343	/nfs/dbraw/zinc/08/93/43/869089343.db2.gz	IVJHIHVTXGZQTH-UXHICEINSA-N	1	0	366.465	1.729	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(c3ccccn3)CC2)C[C@H]1C	ZINC001106130238	869207173	/nfs/dbraw/zinc/20/71/73/869207173.db2.gz	UCUAUXCLDGEJID-HZPDHXFCSA-N	1	0	356.470	1.100	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C[C@H]1C	ZINC001106130222	869207221	/nfs/dbraw/zinc/20/72/21/869207221.db2.gz	SQRSJEUDGHNLCB-BZUAXINKSA-N	1	0	359.474	1.413	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCc2ccsc2)C[C@@H]1O	ZINC001083853167	882283253	/nfs/dbraw/zinc/28/32/53/882283253.db2.gz	FXYKLFHAADZZTI-MHORFTMASA-N	1	0	364.511	1.823	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1	ZINC000271852730	869331097	/nfs/dbraw/zinc/33/10/97/869331097.db2.gz	MNVSGTLLOBEPDW-CQSZACIVSA-N	1	0	374.489	1.542	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cc(C#N)ccc2[O-])CC1=O	ZINC000176393428	869600477	/nfs/dbraw/zinc/60/04/77/869600477.db2.gz	SQRIKJLMELBKQQ-HUUCEWRRSA-N	1	0	356.426	1.535	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccc(N3CCO[C@H](C)C3)nc2)CC1	ZINC000914035971	870450263	/nfs/dbraw/zinc/45/02/63/870450263.db2.gz	VQXWKJYNVGYWAN-MRXNPFEDSA-N	1	0	371.485	1.204	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H](C)C1N=NC(=O)N1C)C(C)C	ZINC000914125415	870940000	/nfs/dbraw/zinc/94/00/00/870940000.db2.gz	DWDLHUUYEMSJMM-ZIAGYGMSSA-N	1	0	350.467	1.580	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2cnccn2)[C@@H](n2ccnn2)C1	ZINC001128642057	882478712	/nfs/dbraw/zinc/47/87/12/882478712.db2.gz	FYRIMVGGIWEYAC-SJORKVTESA-N	1	0	355.446	1.470	20	30		FDEDRO
C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)Cc2csc(C#N)c2)CC1	ZINC000914155538	871140977	/nfs/dbraw/zinc/14/09/77/871140977.db2.gz	DWXMAVIKYJEEMA-CYBMUJFWSA-N	1	0	371.528	1.474	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2C)cn1	ZINC000994385704	882489783	/nfs/dbraw/zinc/48/97/83/882489783.db2.gz	GEYSUTNBXHFUJA-SZVBFZGTSA-N	1	0	370.497	1.473	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2cnc(C)cn2)[C@@H](n2ccnn2)C1	ZINC001128651838	882505277	/nfs/dbraw/zinc/50/52/77/882505277.db2.gz	AZIPPPJHDKEVEG-MSOLQXFVSA-N	1	0	369.473	1.778	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2coc(S(C)(=O)=O)c2)C[C@H]1C	ZINC001106152408	871432274	/nfs/dbraw/zinc/43/22/74/871432274.db2.gz	SOZXTRRJWBWDOP-UKRRQHHQSA-N	1	0	354.472	1.947	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)NC(=O)CC)C[C@H]1C	ZINC001106164227	871500494	/nfs/dbraw/zinc/50/04/94/871500494.db2.gz	HIXZYWBWLTUVSJ-RAIGVLPGSA-N	1	0	360.296	1.494	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccn(C(F)F)n2)C[C@H]1C	ZINC001106179278	871631233	/nfs/dbraw/zinc/63/12/33/871631233.db2.gz	NHLAYDSUZWRJPR-FRRDWIJNSA-N	1	0	369.416	1.267	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@]3(C)C2)C1	ZINC000992742385	871747130	/nfs/dbraw/zinc/74/71/30/871747130.db2.gz	YZJKPYKMCYKTSU-KKVAFCGZSA-N	1	0	369.469	1.149	20	30		FDEDRO
C#CCN(C(=O)NC[C@H](CC(C)C)NC(=O)OCC)C1CC[NH+](C)CC1	ZINC000914207360	871848797	/nfs/dbraw/zinc/84/87/97/871848797.db2.gz	NBTBKOWEFPDALU-INIZCTEOSA-N	1	0	366.506	1.886	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000914259223	872052581	/nfs/dbraw/zinc/05/25/81/872052581.db2.gz	NTJNILUCWKMLEM-GOSISDBHSA-N	1	0	358.486	1.272	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1OC	ZINC001212487259	872148069	/nfs/dbraw/zinc/14/80/69/872148069.db2.gz	XYGTWBBPFOIALW-HZPDHXFCSA-N	1	0	364.515	1.665	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@]3(C)C2)C1	ZINC000992810651	872448002	/nfs/dbraw/zinc/44/80/02/872448002.db2.gz	XRSSZVJZZIVAAR-MDOVXXIYSA-N	1	0	369.469	1.149	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(CN(C)C)on2)[C@H](OC)C1	ZINC001212495878	872519794	/nfs/dbraw/zinc/51/97/94/872519794.db2.gz	RRCFCOVDBATMCH-KBRIMQKVSA-N	1	0	350.463	1.520	20	30		FDEDRO
C[NH+]=C(NCCn1cccn1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1	ZINC000152794215	872546286	/nfs/dbraw/zinc/54/62/86/872546286.db2.gz	OUAKMCUFYKJLSP-UHFFFAOYSA-N	1	0	374.876	1.456	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCCCOC)C2)nn1	ZINC001112541585	872779760	/nfs/dbraw/zinc/77/97/60/872779760.db2.gz	DUVKCWZNDWAGFL-LPHOPBHVSA-N	1	0	361.490	1.723	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCCCS(=O)(=O)c2ccccc2)CC1	ZINC000914421189	872831967	/nfs/dbraw/zinc/83/19/67/872831967.db2.gz	NWXOMKMCYNTSPM-UHFFFAOYSA-N	1	0	363.483	1.247	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1	ZINC000992893986	873101391	/nfs/dbraw/zinc/10/13/91/873101391.db2.gz	ANZWKPTZNCLDAL-BBTUJRGHSA-N	1	0	357.498	1.580	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c(C)cccc2C)C[C@H]1C	ZINC001106187364	873191285	/nfs/dbraw/zinc/19/12/85/873191285.db2.gz	GYDZEBCZSDJLAC-CEXWTWQISA-N	1	0	369.509	1.668	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccoc2C)CC1	ZINC001003363024	873215347	/nfs/dbraw/zinc/21/53/47/873215347.db2.gz	JTNKWWTVSUSMNK-QRQLOZEOSA-N	1	0	369.465	1.795	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@H]2CCCO2)CC1	ZINC001003363695	873217472	/nfs/dbraw/zinc/21/74/72/873217472.db2.gz	RZMVBPGFPMLJLY-MKXGPGLRSA-N	1	0	373.497	1.149	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@]2(C)C1	ZINC000992939792	873308704	/nfs/dbraw/zinc/30/87/04/873308704.db2.gz	PJYYKSHEDZJFQG-QINHECLXSA-N	1	0	360.502	1.717	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2nc3ccccc3n2CC)CC1	ZINC000785464349	873487416	/nfs/dbraw/zinc/48/74/16/873487416.db2.gz	JSTJDRPEHHKMJD-UHFFFAOYSA-N	1	0	369.469	1.439	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1C	ZINC001106200001	873648907	/nfs/dbraw/zinc/64/89/07/873648907.db2.gz	DUCDAJLVDJGWHW-RAIGVLPGSA-N	1	0	358.280	1.057	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](N(C)c3cnc(C#N)cn3)C2)CC[N@@H+]1C	ZINC001061281068	873728745	/nfs/dbraw/zinc/72/87/45/873728745.db2.gz	NDNPFQCPEQKKJQ-IXDOHACOSA-N	1	0	356.474	1.506	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)C2(COC)CCCCC2)C[C@H]1C	ZINC001106217377	873913962	/nfs/dbraw/zinc/91/39/62/873913962.db2.gz	LECXLSFJASQLSW-QZTJIDSGSA-N	1	0	350.503	1.917	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3c(o2)CCCC3)C[C@H]1C	ZINC001106232869	874038947	/nfs/dbraw/zinc/03/89/47/874038947.db2.gz	PAPIKPCRSCFUOH-GDBMZVCRSA-N	1	0	359.470	1.758	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]CC(=O)Nc3ccon3)[C@H](C)C2)CCC1	ZINC001106236209	874061594	/nfs/dbraw/zinc/06/15/94/874061594.db2.gz	GJTHNEQRWDSAPF-HUUCEWRRSA-N	1	0	358.442	1.491	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]CC3CCOCC3)[C@H](C)C2)CCOCC1	ZINC001106236105	874061910	/nfs/dbraw/zinc/06/19/10/874061910.db2.gz	AJDZLRDTWHZNDR-IEBWSBKVSA-N	1	0	362.514	1.917	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]CCCN3CCCC3=O)[C@H](C)C2)CCC1	ZINC001106236491	874063599	/nfs/dbraw/zinc/06/35/99/874063599.db2.gz	QYUCWLRBEZHGMP-QZTJIDSGSA-N	1	0	359.514	1.877	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@H](C)CC)[C@H](C)C1	ZINC001106252262	874144900	/nfs/dbraw/zinc/14/49/00/874144900.db2.gz	IXDJUDLJAGNJGA-BRWVUGGUSA-N	1	0	360.502	1.887	20	30		FDEDRO
CCCCCCCCOCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(N)=O)[C@H](C)C1	ZINC001106255695	874170022	/nfs/dbraw/zinc/17/00/22/874170022.db2.gz	FDUAXCDAUOKWBK-IXDOHACOSA-N	1	0	355.523	1.921	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC[NH+]([C@@H]2CCN(CC)C2=O)CC1	ZINC001003762498	874188892	/nfs/dbraw/zinc/18/88/92/874188892.db2.gz	FJQRXANLHQMTFM-KSZLIROESA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCn1cc(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)nn1	ZINC000648731939	874229859	/nfs/dbraw/zinc/22/98/59/874229859.db2.gz	XZYZFQWIHRFPHJ-UHFFFAOYSA-N	1	0	354.458	1.406	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cc3c(cn2)OCCO3)C[C@H]1C	ZINC001106263501	874237917	/nfs/dbraw/zinc/23/79/17/874237917.db2.gz	CTLQBXUEUCMZFV-HUUCEWRRSA-N	1	0	361.442	1.353	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]C[C@@H](O)c2ccccc2)[C@H](C)C1	ZINC001106266467	874259952	/nfs/dbraw/zinc/25/99/52/874259952.db2.gz	LJPCNJSSGXVGDR-AYWYSENESA-N	1	0	369.509	1.502	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCOCC(F)F)[C@H](C)C1	ZINC001106266501	874261821	/nfs/dbraw/zinc/26/18/21/874261821.db2.gz	NJWOYMZNIHXKKU-OAGGEKHMSA-N	1	0	357.445	1.050	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=C)Br)[C@H](C)C1	ZINC001106266491	874261929	/nfs/dbraw/zinc/26/19/29/874261929.db2.gz	MVNORVXXINEUPT-BMFZPTHFSA-N	1	0	368.319	1.677	20	30		FDEDRO
CCc1nc(CN2CCC(CNC(=O)Cn3cnc(C#N)n3)CC2)cs1	ZINC000494965691	874336383	/nfs/dbraw/zinc/33/63/83/874336383.db2.gz	YWIYDTFIAIJRMM-UHFFFAOYSA-N	1	0	373.486	1.197	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCN2c2ncccn2)C[C@H]1C	ZINC001106277120	874341914	/nfs/dbraw/zinc/34/19/14/874341914.db2.gz	HFGOBGMEGNQLBP-FVQBIDKESA-N	1	0	363.893	1.882	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccnc(CCC)c2)C[C@H]1C	ZINC001106280905	874394093	/nfs/dbraw/zinc/39/40/93/874394093.db2.gz	YTMWKVSBWVJVTD-NVXWUHKLSA-N	1	0	358.486	1.634	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(=[NH+]C)N2CC[C@@H](CN3CCOCC3)C2)C12CCC2	ZINC000262355665	874454899	/nfs/dbraw/zinc/45/48/99/874454899.db2.gz	FVDURWDOCWBWPE-OKZBNKHCSA-N	1	0	364.534	1.564	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)Cn1cnc(C#N)n1)[N@@H+]1CCc2ccccc2C1	ZINC000495093230	874502262	/nfs/dbraw/zinc/50/22/62/874502262.db2.gz	OACVPSBGQUPCTO-QGZVFWFLSA-N	1	0	352.442	1.349	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC(C)C)n2ccnc2)C[C@H]1C	ZINC001106291721	874540724	/nfs/dbraw/zinc/54/07/24/874540724.db2.gz	JCBVMTJDADMUTO-QRVBRYPASA-N	1	0	360.502	1.804	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccccc2C(C)(C)C)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106295777	874565896	/nfs/dbraw/zinc/56/58/96/874565896.db2.gz	YCWYFXZCBQPUDB-HZPDHXFCSA-N	1	0	370.497	1.922	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c(C)noc2C(F)F)C[C@H]1C	ZINC001106302459	874634531	/nfs/dbraw/zinc/63/45/31/874634531.db2.gz	KTCUJNYXMLWIEF-ZYHUDNBSSA-N	1	0	370.400	1.521	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C2CCC2)C[C@H]1C	ZINC001106305993	874671029	/nfs/dbraw/zinc/67/10/29/874671029.db2.gz	UGOXXRJCOLNEDG-SOLBZPMBSA-N	1	0	362.518	1.869	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C[C@H]1C	ZINC001106317468	874746301	/nfs/dbraw/zinc/74/63/01/874746301.db2.gz	BVWSHIYOOVUDBZ-TUVASFSCSA-N	1	0	364.408	1.983	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2cn3ccccc3n2)C[C@H]1C	ZINC001106325898	874779262	/nfs/dbraw/zinc/77/92/62/874779262.db2.gz	NCBCLTWQXOCRNU-IAGOWNOFSA-N	1	0	354.454	1.211	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ncoc2C(F)(F)F)C[C@H]1C	ZINC001106346813	874862720	/nfs/dbraw/zinc/86/27/20/874862720.db2.gz	UNSBKMMQSIOBPB-VXGBXAGGSA-N	1	0	359.348	1.641	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cn(C)c3ccccc23)C[C@H]1C	ZINC001106386496	875036255	/nfs/dbraw/zinc/03/62/55/875036255.db2.gz	GJTQYAZMLMSCOZ-HZPDHXFCSA-N	1	0	366.465	1.225	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(OCC(N)=O)cc2)C[C@H]1C	ZINC001106396204	875066969	/nfs/dbraw/zinc/06/69/69/875066969.db2.gz	GMSIZNOBFLBKLS-NVXWUHKLSA-N	1	0	359.470	1.815	20	30		FDEDRO
Cc1[nH]c2ccccc2c1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106396217	875067016	/nfs/dbraw/zinc/06/70/16/875067016.db2.gz	GXASQRHOTNZWIE-UKRRQHHQSA-N	1	0	367.453	1.414	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2cncc(C)c2)C[C@H]1C	ZINC001106405334	875143850	/nfs/dbraw/zinc/14/38/50/875143850.db2.gz	VRBFVTQSIDWCQF-ZHALLVOQSA-N	1	0	370.497	1.145	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C[C@H]1C	ZINC001106461198	875450165	/nfs/dbraw/zinc/45/01/65/875450165.db2.gz	PIBSHQDEWIZAKN-MKXGPGLRSA-N	1	0	365.518	1.126	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CC)[C@H](C)C1	ZINC001106485769	875639824	/nfs/dbraw/zinc/63/98/24/875639824.db2.gz	FKAVNQVCZICNLE-MDZRGWNJSA-N	1	0	363.506	1.711	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCC)[C@H](C)C1	ZINC001106486426	875641282	/nfs/dbraw/zinc/64/12/82/875641282.db2.gz	SIQSEQJXYWVSLD-MDZRGWNJSA-N	1	0	353.507	1.426	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3ncccc32)C[C@H]1C	ZINC001106495489	875712488	/nfs/dbraw/zinc/71/24/88/875712488.db2.gz	BBPWUAVACGLMPE-HZPDHXFCSA-N	1	0	366.465	1.835	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCO3)C[C@H]1C	ZINC001106498898	875715054	/nfs/dbraw/zinc/71/50/54/875715054.db2.gz	WBRSDRNHJSKSBD-CRAIPNDOSA-N	1	0	371.481	1.150	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)C(C)C)[C@H](C)C2)cc1	ZINC001106512910	875801414	/nfs/dbraw/zinc/80/14/14/875801414.db2.gz	XWCLHGPFAQHUFV-VQIMIIECSA-N	1	0	355.482	1.832	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@H](O)CN2CCCC2=O)[C@H](C)C1	ZINC001106517581	875813239	/nfs/dbraw/zinc/81/32/39/875813239.db2.gz	KZJMKBXCRJAKJZ-ZACQAIPSSA-N	1	0	365.518	1.256	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@]2(C)C=CCC2)C[C@H]1C	ZINC001106538777	875903868	/nfs/dbraw/zinc/90/38/68/875903868.db2.gz	VLFQVDXSKSKEQO-HLIPFELVSA-N	1	0	360.502	1.789	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc[nH]c2C2CC2)C[C@H]1C	ZINC001106588368	876071569	/nfs/dbraw/zinc/07/15/69/876071569.db2.gz	QXCHKWLPCXXENA-IJEWVQPXSA-N	1	0	358.486	1.881	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)Nc2ncccn2)[C@H](C)C1	ZINC001106609719	876179065	/nfs/dbraw/zinc/17/90/65/876179065.db2.gz	LTTSQGPWAQXLKJ-BZUAXINKSA-N	1	0	359.474	1.844	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(Cl)c2F)C[C@H]1C	ZINC001106615080	876213991	/nfs/dbraw/zinc/21/39/91/876213991.db2.gz	MXXKWVUNZYHSMB-CHWSQXEVSA-N	1	0	365.836	1.526	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]CCc3cnn(C)c3)[C@H](C)C2)c1	ZINC001106650143	876385777	/nfs/dbraw/zinc/38/57/77/876385777.db2.gz	ATGUEGNIUVVTFH-DNVCBOLYSA-N	1	0	351.454	1.337	20	30		FDEDRO
NC(=NOCC(=O)NC1CC[NH+](C2CC2)CC1)c1nccc2ccccc21	ZINC000762755834	876493497	/nfs/dbraw/zinc/49/34/97/876493497.db2.gz	ZEMBILBWTXJVQC-UHFFFAOYSA-N	1	0	367.453	1.615	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)OCc2ccncc2)C[C@H]1C	ZINC001106678258	876529628	/nfs/dbraw/zinc/52/96/28/876529628.db2.gz	FPTJIFNKIQEJAW-ZHALLVOQSA-N	1	0	361.486	1.873	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)(C)CC)[C@H](C)C1	ZINC001106680818	876548839	/nfs/dbraw/zinc/54/88/39/876548839.db2.gz	JYFVTINUROQJSV-VQHPVUNQSA-N	1	0	365.518	1.566	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)NC(C)=O)C[C@H]1C	ZINC001106687560	876566157	/nfs/dbraw/zinc/56/61/57/876566157.db2.gz	VEHFCBKVFGHVDS-HONMWMINSA-N	1	0	360.296	1.494	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3ccccc3C2)C[C@H]1C	ZINC001106699718	876608244	/nfs/dbraw/zinc/60/82/44/876608244.db2.gz	HLBROYMZQFJCDY-NSISKUIASA-N	1	0	369.509	1.778	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@H](O)COCCOC)[C@H](C)C1	ZINC001106711067	876900160	/nfs/dbraw/zinc/90/01/60/876900160.db2.gz	JTASLVIGUSTPEM-ZACQAIPSSA-N	1	0	356.507	1.297	20	30		FDEDRO
CC[C@H](OC1CCCC1)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106717553	876940125	/nfs/dbraw/zinc/94/01/25/876940125.db2.gz	FWYUMKDONZQABU-INMHGKMJSA-N	1	0	364.490	1.048	20	30		FDEDRO
COCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1	ZINC001106723998	876980425	/nfs/dbraw/zinc/98/04/25/876980425.db2.gz	XQJCZMRTYMYPFA-JTDSTZFVSA-N	1	0	359.470	1.794	20	30		FDEDRO
COCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1	ZINC001106726166	876989945	/nfs/dbraw/zinc/98/99/45/876989945.db2.gz	DZJBFWYAKKNARU-RBSFLKMASA-N	1	0	365.499	1.855	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2nccs2)[C@H](C)C1	ZINC001106732971	877262647	/nfs/dbraw/zinc/26/26/47/877262647.db2.gz	CURKDGCRTMLNOJ-BMFZPTHFSA-N	1	0	364.515	1.798	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccsc2C)C[C@H]1C	ZINC001106733746	877275602	/nfs/dbraw/zinc/27/56/02/877275602.db2.gz	GFHPCQBTBFXANE-JKIFEVAISA-N	1	0	361.511	1.421	20	30		FDEDRO
CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cc(C#N)cn1C	ZINC000081715810	877340676	/nfs/dbraw/zinc/34/06/76/877340676.db2.gz	VSPZXMPIOXLVLB-INIZCTEOSA-N	1	0	360.458	1.776	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@@]2(C)C1	ZINC000993346831	877460983	/nfs/dbraw/zinc/46/09/83/877460983.db2.gz	ABFVNNRPCQTLTJ-FRIZHTMISA-N	1	0	358.442	1.421	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@]2(C)C1	ZINC000993347077	877462357	/nfs/dbraw/zinc/46/23/57/877462357.db2.gz	BRONDEQBPAZQAP-BIENJYKASA-N	1	0	355.442	1.228	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]CC[C@@H]3CCOC3)[C@H](C)C2)nn1	ZINC001106749869	877505046	/nfs/dbraw/zinc/50/50/46/877505046.db2.gz	JDJMOVXFAVZTBJ-BRWVUGGUSA-N	1	0	361.490	1.579	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nc(C)c[nH]2)C[C@H]1C	ZINC001106750203	877509077	/nfs/dbraw/zinc/50/90/77/877509077.db2.gz	SHXQTUVJZDKVCC-GDBMZVCRSA-N	1	0	359.474	1.216	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC2)C[C@H]1C	ZINC001106750936	877524722	/nfs/dbraw/zinc/52/47/22/877524722.db2.gz	YHWWWVMSVMENIP-OQIJWPOYSA-N	1	0	359.514	1.917	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C[C@H]1C	ZINC001106750909	877524868	/nfs/dbraw/zinc/52/48/68/877524868.db2.gz	WYCYOQCAHPDZOD-PHXBYCTMSA-N	1	0	368.481	1.308	20	30		FDEDRO
C=CC1(CC(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)CCCCC1	ZINC001106756626	877577165	/nfs/dbraw/zinc/57/71/65/877577165.db2.gz	AKNHHZPQBCDBPI-IAGOWNOFSA-N	1	0	360.502	1.837	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNc2cccc(S(N)(=O)=O)c2C#N)CCCO1	ZINC000763056440	877678004	/nfs/dbraw/zinc/67/80/04/877678004.db2.gz	LHWPXQFSYKKIOR-ZDUSSCGKSA-N	1	0	352.460	1.118	20	30		FDEDRO
CC(=O)NC(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1	ZINC001106769508	877679674	/nfs/dbraw/zinc/67/96/74/877679674.db2.gz	YWBGMJDWZLHPAS-RDTXWAMCSA-N	1	0	356.470	1.657	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3nc[nH]c32)C[C@H]1C	ZINC001106790718	877935506	/nfs/dbraw/zinc/93/55/06/877935506.db2.gz	NLROYXSVVMNQJX-ZIAGYGMSSA-N	1	0	355.442	1.163	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3nccnc32)C[C@H]1C	ZINC001106796681	877979919	/nfs/dbraw/zinc/97/99/19/877979919.db2.gz	XAVXZWGTBCEKDN-HUUCEWRRSA-N	1	0	367.453	1.230	20	30		FDEDRO
C#CCN(CC)C(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1	ZINC000265861281	877992130	/nfs/dbraw/zinc/99/21/30/877992130.db2.gz	XEPWDDINYVNQFL-UHFFFAOYSA-N	1	0	370.497	1.885	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@]2(C)CCOC2)C[C@H]1C	ZINC001106800828	878014146	/nfs/dbraw/zinc/01/41/46/878014146.db2.gz	LPBSGCHGLSECFP-HLIPFELVSA-N	1	0	363.502	1.298	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H](c2nccn2CC)C2CCOCC2)CC1	ZINC000922406071	878105107	/nfs/dbraw/zinc/10/51/07/878105107.db2.gz	MPLVCBRIUVFAEJ-SFHVURJKSA-N	1	0	373.501	1.768	20	30		FDEDRO
CCn1cc(C(=O)N2C[C@@H](C[NH2+]CC#Cc3ccc(F)cc3)[C@H](C)C2)nn1	ZINC001106813109	878209169	/nfs/dbraw/zinc/20/91/69/878209169.db2.gz	NLAUFYVAGPHDNR-NVXWUHKLSA-N	1	0	369.444	1.787	20	30		FDEDRO
C#C[C@H](CC)NC(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000922524270	878448776	/nfs/dbraw/zinc/44/87/76/878448776.db2.gz	CTAJWCRFNNNEOM-CQSZACIVSA-N	1	0	352.479	1.687	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4nc(C)n(C)c4c3)[C@H]2C1	ZINC001083162388	912361634	/nfs/dbraw/zinc/36/16/34/912361634.db2.gz	SHPQXUYRNDIHAM-RBUKOAKNSA-N	1	0	354.454	1.983	20	30		FDEDRO
C#CCC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccco1)CC2	ZINC001128049327	912380537	/nfs/dbraw/zinc/38/05/37/912380537.db2.gz	VXNZVDOFXFQKCS-ARFHVFGLSA-N	1	0	367.453	1.609	20	30		FDEDRO
C=C(C)CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CC2	ZINC001128053914	912396887	/nfs/dbraw/zinc/39/68/87/912396887.db2.gz	HPXFHKJEQQEPDM-VQHPVUNQSA-N	1	0	373.501	1.723	20	30		FDEDRO
C=CCCC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@H]1CC[C@@H](C)O1)CC2	ZINC001128054905	912401756	/nfs/dbraw/zinc/40/17/56/912401756.db2.gz	VZGSEBZKDHHUHM-BZUAXINKSA-N	1	0	361.490	1.723	20	30		FDEDRO
C=CCn1c([C@H](C)CC)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1	ZINC000282368999	879194711	/nfs/dbraw/zinc/19/47/11/879194711.db2.gz	UIFKLRCNOHWRGQ-MRXNPFEDSA-N	1	0	362.522	1.968	20	30		FDEDRO
C=CCn1cccc1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2	ZINC001004393314	879324136	/nfs/dbraw/zinc/32/41/36/879324136.db2.gz	DWAFJKRTPAWHQJ-ZACQAIPSSA-N	1	0	368.481	1.632	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C1	ZINC001004521979	879784209	/nfs/dbraw/zinc/78/42/09/879784209.db2.gz	SWGJMVNNWQQDKT-MOPGFXCFSA-N	1	0	371.481	1.528	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2OC)C1	ZINC000946632525	879917693	/nfs/dbraw/zinc/91/76/93/879917693.db2.gz	FSTDJKWLXQRKFQ-GVDBMIGSSA-N	1	0	361.486	1.027	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4cnn(C)c4C3)[C@H]2C1	ZINC001083175634	912518189	/nfs/dbraw/zinc/51/81/89/912518189.db2.gz	FVJFSTUZCYCGTC-AYOQOUSVSA-N	1	0	358.486	1.403	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)CC(F)(F)F)C[C@H]1C	ZINC001106838058	880223243	/nfs/dbraw/zinc/22/32/43/880223243.db2.gz	KBOOEPSNRCEYIV-CHWSQXEVSA-N	1	0	363.424	1.951	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)[C@H]3CC3(F)F)[C@H](C)C2)CC1	ZINC000993977126	880277170	/nfs/dbraw/zinc/27/71/70/880277170.db2.gz	LQUPYIUDWZGEKR-FVQBIDKESA-N	1	0	367.440	1.198	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)CC[N@@H+]1C	ZINC000994093809	880648589	/nfs/dbraw/zinc/64/85/89/880648589.db2.gz	YPVADAFDPSTRBO-IXYNUQLISA-N	1	0	357.458	1.051	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)C3CC(C)C3)C[C@H]2C)CC1	ZINC000994137753	880900248	/nfs/dbraw/zinc/90/02/48/880900248.db2.gz	WEYYKIYNEHXSJO-JGJLBUBWSA-N	1	0	359.514	1.588	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCCC(N)=O)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001106854325	881104116	/nfs/dbraw/zinc/10/41/16/881104116.db2.gz	ARDKVTSIVKQVEI-CRAIPNDOSA-N	1	0	356.470	1.788	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCCC(N)=O)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001106854838	881106904	/nfs/dbraw/zinc/10/69/04/881106904.db2.gz	QBZJAQVHAULPIJ-CRAIPNDOSA-N	1	0	356.470	1.788	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cnn(CCCOC)c2)C[C@H]1C	ZINC001106851865	881125209	/nfs/dbraw/zinc/12/52/09/881125209.db2.gz	AGJKUMUORVBBSO-UKRRQHHQSA-N	1	0	354.882	1.970	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@H]2CC[N@@H+](C)C2)nc1	ZINC001004741727	881185265	/nfs/dbraw/zinc/18/52/65/881185265.db2.gz	IGHFPFDQZATHOH-RWQQGDIJSA-N	1	0	366.465	1.266	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@H+]2CCC[C@H]2C)nc1	ZINC001004746248	881199941	/nfs/dbraw/zinc/19/99/41/881199941.db2.gz	BHUTUOMTSMTKTE-OPNNQBFTSA-N	1	0	366.465	1.409	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)NCCNc1ccc(C#N)cn1)c1ccccc1	ZINC000915887991	881218198	/nfs/dbraw/zinc/21/81/98/881218198.db2.gz	DSPHWOOALCCVCU-QGZVFWFLSA-N	1	0	352.442	1.967	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)NCCNc1ncccc1C#N)c1ccccc1	ZINC000915888284	881218232	/nfs/dbraw/zinc/21/82/32/881218232.db2.gz	IINVIESGMCJZKL-KRWDZBQOSA-N	1	0	352.442	1.967	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](CCc2cnn(C)c2)C1	ZINC001033837687	883195317	/nfs/dbraw/zinc/19/53/17/883195317.db2.gz	NSOYYFCQHMWAFW-QRVBRYPASA-N	1	0	360.502	1.867	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CCCC2)CC1	ZINC001005406984	883296198	/nfs/dbraw/zinc/29/61/98/883296198.db2.gz	UZXURZFKJJWASO-MSOLQXFVSA-N	1	0	363.502	1.513	20	30		FDEDRO
C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+](C2CC2)C2CCCCC2)c1=O	ZINC000917429913	883420900	/nfs/dbraw/zinc/42/09/00/883420900.db2.gz	ZCSQGMHNGFUMSJ-UHFFFAOYSA-N	1	0	360.458	1.298	20	30		FDEDRO
C=C1CCC(CNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1	ZINC000917678423	883682129	/nfs/dbraw/zinc/68/21/29/883682129.db2.gz	WCPRZWBYANBVCU-UHFFFAOYSA-N	1	0	350.507	1.975	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2N(C)C)C[C@@H]1n1ccnn1	ZINC001128807413	883692439	/nfs/dbraw/zinc/69/24/39/883692439.db2.gz	SKIYHTOVPISFCW-MJGOQNOKSA-N	1	0	368.485	1.852	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@@H]1n1ccnn1	ZINC001128816208	883730274	/nfs/dbraw/zinc/73/02/74/883730274.db2.gz	DGADNFYUIJNDBM-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
CCc1ccc(CC[N@@H+]2C[C@@H](NC(=O)[C@@H](C)C#N)[C@@H](n3ccnn3)C2)cc1	ZINC001128829662	883754810	/nfs/dbraw/zinc/75/48/10/883754810.db2.gz	IHMLMECDMOLWPU-IPELMVKDSA-N	1	0	366.469	1.584	20	30		FDEDRO
Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H](C)C#N)[C@@H](n3ccnn3)C2)c(C)c1	ZINC001128830783	883757711	/nfs/dbraw/zinc/75/77/11/883757711.db2.gz	YAUOVQFDKYFNFC-NXHRZFHOSA-N	1	0	352.442	1.596	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCN(c2ccccc2)C1=O)C1CC[NH+](C)CC1	ZINC000917796592	883790015	/nfs/dbraw/zinc/79/00/15/883790015.db2.gz	WGLNOZDBBFTESP-GOSISDBHSA-N	1	0	354.454	1.531	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]CC[C@H]2CCOC2)[C@H](C)C1	ZINC001106890791	884123410	/nfs/dbraw/zinc/12/34/10/884123410.db2.gz	GVCHPZKKILXVNR-FGTMMUONSA-N	1	0	371.481	1.818	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCN1c1ncccn1)C2	ZINC001112413514	884305869	/nfs/dbraw/zinc/30/58/69/884305869.db2.gz	RPANLYRXJVORBT-QKLQHJQFSA-N	1	0	355.486	1.850	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1C[N@H+](CCCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001128972016	884526456	/nfs/dbraw/zinc/52/64/56/884526456.db2.gz	SKPAGGLELBCIKL-UXHICEINSA-N	1	0	365.481	1.912	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@H](C)COC)C2)nn1	ZINC001112543004	884587245	/nfs/dbraw/zinc/58/72/45/884587245.db2.gz	DMCAXGUATCUPDC-GJYPPUQNSA-N	1	0	361.490	1.721	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1C[N@@H+]([C@@H]2CCc3ccccc32)C[C@@H]1n1ccnn1	ZINC001128985149	884708277	/nfs/dbraw/zinc/70/82/77/884708277.db2.gz	IFYRYXILCCWNEP-AQNXPRMDSA-N	1	0	361.449	1.721	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1	ZINC000246093697	884798636	/nfs/dbraw/zinc/79/86/36/884798636.db2.gz	GWKPMACYBLKKKL-SJORKVTESA-N	1	0	367.453	1.715	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nnc(C)s2)CC1	ZINC001034737191	884943539	/nfs/dbraw/zinc/94/35/39/884943539.db2.gz	TUJJDPWOLVYDHE-TUVASFSCSA-N	1	0	350.488	1.955	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)N2CCC2)CC1	ZINC001034750873	884959935	/nfs/dbraw/zinc/95/99/35/884959935.db2.gz	FKIYUIUJJKZTOJ-DWRORGKVSA-N	1	0	363.502	1.607	20	30		FDEDRO
Cc1onc(CC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1C#N	ZINC000918857867	884963215	/nfs/dbraw/zinc/96/32/15/884963215.db2.gz	WQESKRRZKVMYEB-UHFFFAOYSA-N	1	0	353.426	1.465	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCCNC2=O)CC1	ZINC001034753066	884963258	/nfs/dbraw/zinc/96/32/58/884963258.db2.gz	GMEFSJNJHFQRSB-TXTZMMAHSA-N	1	0	363.502	1.653	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2ccnc2CC)[C@@H](n2ccnn2)C1	ZINC001129004564	884997445	/nfs/dbraw/zinc/99/74/45/884997445.db2.gz	UAPVNQFMBLJZCA-ZACQAIPSSA-N	1	0	371.489	1.606	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]Cc2ccc(CNC(=O)[C@H]3CC[C@@H](C)O3)cc2)C1=O	ZINC001034825959	885229092	/nfs/dbraw/zinc/22/90/92/885229092.db2.gz	FCKPRHBEJMKQAX-AYOQOUSVSA-N	1	0	371.481	1.747	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCc3ccc(CC)cc3)C[C@@H]2O)cn1	ZINC001083968687	912913424	/nfs/dbraw/zinc/91/34/24/912913424.db2.gz	ADGFRDIUPKVFRS-RTWAWAEBSA-N	1	0	363.461	1.643	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCc3ccc(OC)cc3)C[C@@H]2O)cn1	ZINC001083969012	912915356	/nfs/dbraw/zinc/91/53/56/912915356.db2.gz	PIWLWCBRDBMKMQ-UXHICEINSA-N	1	0	365.433	1.089	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1	ZINC000919082204	885279512	/nfs/dbraw/zinc/27/95/12/885279512.db2.gz	XJOZGURSOWKZNK-MRXNPFEDSA-N	1	0	366.506	1.933	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1	ZINC000919082203	885279739	/nfs/dbraw/zinc/27/97/39/885279739.db2.gz	XJOZGURSOWKZNK-INIZCTEOSA-N	1	0	366.506	1.933	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@H+](CC=C(C)C)C[C@@H]1n1ccnn1)OCC	ZINC001129029852	885343331	/nfs/dbraw/zinc/34/33/31/885343331.db2.gz	MNIWRYLETQROPL-FGTMMUONSA-N	1	0	361.490	1.957	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccnc(OC)n1	ZINC001034942329	885351262	/nfs/dbraw/zinc/35/12/62/885351262.db2.gz	ZMOYCRXHEXYWBU-ZACQAIPSSA-N	1	0	360.458	1.547	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)C2(COC)CCCCC2)[C@@H](n2ccnn2)C1	ZINC001129032771	885369378	/nfs/dbraw/zinc/36/93/78/885369378.db2.gz	UCHKPXZGCMLSSE-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnc(OC)nc1C	ZINC001035057873	885529292	/nfs/dbraw/zinc/52/92/92/885529292.db2.gz	YMCZMXFAIKUMLQ-ZACQAIPSSA-N	1	0	360.458	1.465	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](CC)OC)C[C@@H]2n2ccnn2)CCC1	ZINC001129048980	885539678	/nfs/dbraw/zinc/53/96/78/885539678.db2.gz	MVMVGYYNMKTCBW-ZACQAIPSSA-N	1	0	359.474	1.238	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnc3n2CCC3)[C@@H](n2ccnn2)C1	ZINC001129052447	885579118	/nfs/dbraw/zinc/57/91/18/885579118.db2.gz	FMKURLFNXTZMFF-INMHGKMJSA-N	1	0	369.473	1.431	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCc2cnn(C)c2)C1	ZINC000999524893	912950015	/nfs/dbraw/zinc/95/00/15/912950015.db2.gz	WWNJZPURWJCAOG-BTRQGYIVSA-N	1	0	360.502	1.913	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccncc2CC)[C@@H](n2ccnn2)C1	ZINC001129084717	885711489	/nfs/dbraw/zinc/71/14/89/885711489.db2.gz	VFMXTHNQKADRBG-MSOLQXFVSA-N	1	0	354.458	1.857	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)[C@@H](n2ccnn2)C1	ZINC001129084794	885712190	/nfs/dbraw/zinc/71/21/90/885712190.db2.gz	YWSQWSGICQDEHF-CVEARBPZSA-N	1	0	371.489	1.920	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccnnc2C)[C@@H](n2ccnn2)C1	ZINC001129089573	885716514	/nfs/dbraw/zinc/71/65/14/885716514.db2.gz	KUIPZMWJXOIFFR-XKQJLSEDSA-N	1	0	355.446	1.387	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCn3cc(Cl)cn3)[C@H](C)C2)nc1	ZINC001106894874	885811753	/nfs/dbraw/zinc/81/17/53/885811753.db2.gz	XTERHUQSNBCJQP-GDBMZVCRSA-N	1	0	371.872	1.911	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)CCOCCNc2ncccc2C#N)CC[N@@H+]1C	ZINC001127500190	885813712	/nfs/dbraw/zinc/81/37/12/885813712.db2.gz	LGGMCMOYZYXXSZ-DLBZAZTESA-N	1	0	359.474	1.570	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC[N@H+](CC(=O)NC3CC3)C2)CC1	ZINC001035230965	885820304	/nfs/dbraw/zinc/82/03/04/885820304.db2.gz	SDKJQOAOEHGBHC-SJORKVTESA-N	1	0	361.486	1.171	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@H]2CN(CC#Cc3ccccc3)CCO2)CC[N@@H+]1C	ZINC001035375592	885948949	/nfs/dbraw/zinc/94/89/49/885948949.db2.gz	LKXOHIBTJVNFEY-YZGWKJHDSA-N	1	0	355.482	1.195	20	30		FDEDRO
C#CCCN1CCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1	ZINC001035516926	886109498	/nfs/dbraw/zinc/10/94/98/886109498.db2.gz	MWKUHRSAAAENHS-AQNXPRMDSA-N	1	0	355.482	1.172	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1n1ccnn1	ZINC001129188830	886117107	/nfs/dbraw/zinc/11/71/07/886117107.db2.gz	CVXOJMNBOGNJOO-KSZLIROESA-N	1	0	359.474	1.382	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@@H]1n1ccnn1	ZINC001129189575	886157707	/nfs/dbraw/zinc/15/77/07/886157707.db2.gz	ROBPRCGRWDPJPI-CVEARBPZSA-N	1	0	365.428	1.859	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)CC1	ZINC000919965427	886471771	/nfs/dbraw/zinc/47/17/71/886471771.db2.gz	AQKXODPLUPQAGA-UHFFFAOYSA-N	1	0	354.410	1.022	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](CN2CCOCC2)c2ccc(C)cc2)CC1	ZINC000919965903	886473323	/nfs/dbraw/zinc/47/33/23/886473323.db2.gz	WCDIOTICKHFFPK-OAQYLSRUSA-N	1	0	369.509	1.830	20	30		FDEDRO
C=C1CCC(CNC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1	ZINC000924026269	886646897	/nfs/dbraw/zinc/64/68/97/886646897.db2.gz	WTTOJSMQEDTJNG-IBGZPJMESA-N	1	0	364.534	1.829	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC2=CCOCC2)[C@@H](n2ccnn2)C1	ZINC001129228578	886710207	/nfs/dbraw/zinc/71/02/07/886710207.db2.gz	YOHGXHOJCHBHLH-JQHSSLGASA-N	1	0	359.474	1.711	20	30		FDEDRO
C=CCCC1(C(=O)N[C@@H]2C[N@@H+](CCCOCC)C[C@@H]2n2ccnn2)CC1	ZINC001129238574	886747027	/nfs/dbraw/zinc/74/70/27/886747027.db2.gz	DAECCLWTFOTFDT-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+](CCC[C@H](C)O)C[C@@H]2n2ccnn2)CCC1	ZINC001129243265	886808431	/nfs/dbraw/zinc/80/84/31/886808431.db2.gz	LKEGHAJJXQNZRF-BBWFWOEESA-N	1	0	361.490	1.527	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+](CCOC(C)C)C[C@@H]2n2ccnn2)CCC1	ZINC001129243750	886813497	/nfs/dbraw/zinc/81/34/97/886813497.db2.gz	UZQGZPNWPZBNTJ-SJORKVTESA-N	1	0	361.490	1.791	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@H](CN(C)c3ncc(C#N)cc3F)C2)CC[N@@H+]1C	ZINC001062185925	886986881	/nfs/dbraw/zinc/98/68/81/886986881.db2.gz	AOWCBJFDVDSMKD-IIAWOOMASA-N	1	0	359.449	1.717	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C	ZINC001062252022	887015183	/nfs/dbraw/zinc/01/51/83/887015183.db2.gz	BWZSZODCHYSZSI-KURKYZTESA-N	1	0	365.518	1.805	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCCCF)C[C@@H]1n1ccnn1	ZINC001129265721	887034396	/nfs/dbraw/zinc/03/43/96/887034396.db2.gz	CIFJNDNCGHBZMN-NCOADZHNSA-N	1	0	365.453	1.351	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC/C=C/CCC)C[C@@H]1n1ccnn1	ZINC001129266159	887042579	/nfs/dbraw/zinc/04/25/79/887042579.db2.gz	IEGMFEVBBKULRG-XQJILKQCSA-N	1	0	373.501	1.957	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC	ZINC001062347985	887062173	/nfs/dbraw/zinc/06/21/73/887062173.db2.gz	MUGVIGUMGSSXRO-KURKYZTESA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)CCC[NH+](C)C	ZINC001062353982	887071966	/nfs/dbraw/zinc/07/19/66/887071966.db2.gz	LPJPXLSBZPSMAT-ZACQAIPSSA-N	1	0	351.491	1.417	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)CC1	ZINC000920616406	887095687	/nfs/dbraw/zinc/09/56/87/887095687.db2.gz	SJACGJSSOCKSRK-CRAIPNDOSA-N	1	0	354.454	1.577	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)[C@@H](n2ccnn2)C1	ZINC001129271587	887101017	/nfs/dbraw/zinc/10/10/17/887101017.db2.gz	IHIYAKIUJNLZFD-MLHJIOFPSA-N	1	0	369.473	1.123	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)C[N@@H+](C)CCC)CC1	ZINC001079015174	887103247	/nfs/dbraw/zinc/10/32/47/887103247.db2.gz	QWBIXRACWXDUTE-KSZLIROESA-N	1	0	365.518	1.759	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1	ZINC001077555567	887160769	/nfs/dbraw/zinc/16/07/69/887160769.db2.gz	VGYRULUHAJEBNL-BRWVUGGUSA-N	1	0	355.910	1.697	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1OCC[C@H]1C(C)C	ZINC001127543283	887181119	/nfs/dbraw/zinc/18/11/19/887181119.db2.gz	NYIXMLYNTXKOCF-IKGGRYGDSA-N	1	0	353.507	1.566	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCC(=O)N[C@H]1c1ccccc1)C1CC[NH+](C)CC1	ZINC000922908301	887190566	/nfs/dbraw/zinc/19/05/66/887190566.db2.gz	MQIZBTDNAJIRNE-QUCCMNQESA-N	1	0	368.481	1.745	20	30		FDEDRO
C[NH+]1CCC(n2ccc(NC(=O)NCc3cn4c(n3)CCCC4)n2)CC1	ZINC000330210645	887594423	/nfs/dbraw/zinc/59/44/23/887594423.db2.gz	IMUGXHFXZGRJFT-UHFFFAOYSA-N	1	0	357.462	2.209	20	30		FDEDRO
N#Cc1cc(N[C@H]2CCC[N@@H+](CCCO)C2)nc2ccc([N+](=O)[O-])cc12	ZINC000450607812	887642802	/nfs/dbraw/zinc/64/28/02/887642802.db2.gz	BUZSDXWGWXLYBU-AWEZNQCLSA-N	1	0	355.398	2.273	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N[C@@H]3CCCC[C@H]3C[NH3+])n2)c(F)c1	ZINC000415462400	887664312	/nfs/dbraw/zinc/66/43/12/887664312.db2.gz	PLUTZVAKZPHKCP-DZGCQCFKSA-N	1	0	356.405	2.522	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC2CCN(c3cc(CC)ncn3)CC2)CC1	ZINC000921312566	887674002	/nfs/dbraw/zinc/67/40/02/887674002.db2.gz	KNUOORRZQXMVFF-UHFFFAOYSA-N	1	0	370.501	1.405	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3c(c2)OCCCO3)c1C#N	ZINC000517504880	887810259	/nfs/dbraw/zinc/81/02/59/887810259.db2.gz	WXDUKPSLDWGRRK-UHFFFAOYSA-N	1	0	355.398	1.847	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCOC)C[C@H]2OC)cc1	ZINC001212256039	887902757	/nfs/dbraw/zinc/90/27/57/887902757.db2.gz	SYDLYIWMKIFHOA-RTBURBONSA-N	1	0	360.454	1.554	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCN(C(=O)C2CC2)C[C@H]1C)C1CC[NH+](C)CC1	ZINC000921423217	887933971	/nfs/dbraw/zinc/93/39/71/887933971.db2.gz	MRQDUHWBMVUVMF-CRAIPNDOSA-N	1	0	360.502	1.372	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N[C@H](CC[NH+](C)C)c1cccnc1	ZINC000921480619	888053563	/nfs/dbraw/zinc/05/35/63/888053563.db2.gz	OFEGICKHJKKPPI-MRXNPFEDSA-N	1	0	374.466	1.933	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCc3ccc(F)cc32)C[C@H]1OC	ZINC001212258268	888078234	/nfs/dbraw/zinc/07/82/34/888078234.db2.gz	PVKCJTASSOBAHL-CEXWTWQISA-N	1	0	360.429	1.668	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ncccc2Cl)C[C@H]1C	ZINC001106901818	888146794	/nfs/dbraw/zinc/14/67/94/888146794.db2.gz	RQGLZJHRCGMWKI-MGPQQGTHSA-N	1	0	364.877	1.723	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCC(F)(F)C2)C[C@H]1OC	ZINC001212262735	888173119	/nfs/dbraw/zinc/17/31/19/888173119.db2.gz	XNXZINJOHONWKL-BZUAXINKSA-N	1	0	358.429	1.667	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)C[C@H]1OC	ZINC001212264151	888222460	/nfs/dbraw/zinc/22/24/60/888222460.db2.gz	BBYCTWRKNNUARL-CDHQVMDDSA-N	1	0	356.466	1.918	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)c2C)C[C@H]1OC	ZINC001212264658	888245517	/nfs/dbraw/zinc/24/55/17/888245517.db2.gz	NDRKJPVDCLFJKK-KVSKMBFKSA-N	1	0	360.454	1.357	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CCC[N@H+]2C)c1	ZINC001005972557	888299830	/nfs/dbraw/zinc/29/98/30/888299830.db2.gz	VPHDJJIZMDYNOS-ZJPYXAASSA-N	1	0	352.438	1.019	20	30		FDEDRO
C#CCN(C(=O)NCC[S@](=O)CC(F)(F)F)C1CC[NH+](C)CC1	ZINC000923190667	888320521	/nfs/dbraw/zinc/32/05/21/888320521.db2.gz	IIWURIVSJFLAEW-QHCPKHFHSA-N	1	0	353.410	1.036	20	30		FDEDRO
C=CCOCCN1C[C@@H](NC(=O)c2coc(C(C)(C)C)n2)[C@H](OC)C1	ZINC001212271654	888920522	/nfs/dbraw/zinc/92/05/22/888920522.db2.gz	CTIGNAVHYBVKAO-UKRRQHHQSA-N	1	0	351.447	1.604	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000938609025	888952191	/nfs/dbraw/zinc/95/21/91/888952191.db2.gz	ICCQRRSWZYWLRX-YQQAZPJKSA-N	1	0	357.458	1.290	20	30		FDEDRO
Cc1ccccc1[C@@H]([C@H](C)NC(=O)CNc1ccc(C#N)cn1)[NH+](C)C	ZINC000443402161	888993643	/nfs/dbraw/zinc/99/36/43/888993643.db2.gz	XUURWOPFHMNYHU-MGPUTAFESA-N	1	0	351.454	2.481	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1	ZINC000670782633	889047146	/nfs/dbraw/zinc/04/71/46/889047146.db2.gz	NNKPLQGJLGLVBR-UHFFFAOYSA-N	1	0	372.469	1.240	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)CN2CCCO[C@H](C[NH3+])C2)c(OC)c1	ZINC000923377637	889048917	/nfs/dbraw/zinc/04/89/17/889048917.db2.gz	ADSHYWNRYLVXSN-DLBZAZTESA-N	1	0	350.459	1.213	20	30		FDEDRO
C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1	ZINC001089693183	889105017	/nfs/dbraw/zinc/10/50/17/889105017.db2.gz	HWOILGVOAAVJFY-ZACQAIPSSA-N	1	0	363.502	1.252	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)CN1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1	ZINC000923402562	889141927	/nfs/dbraw/zinc/14/19/27/889141927.db2.gz	YEKIHBFBRPJETH-RRFJBIMHSA-N	1	0	357.376	1.757	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)CN2CCC[C@@H](C[NH3+])[C@H]2C(F)(F)F)cc1	ZINC000923401902	889142088	/nfs/dbraw/zinc/14/20/88/889142088.db2.gz	ZXWWMHDXMDMOOC-LZWOXQAQSA-N	1	0	357.376	1.900	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)CN2C[C@@H](OC)C[C@]2(C)C[NH3+])c(OC)c1	ZINC000923413626	889188571	/nfs/dbraw/zinc/18/85/71/889188571.db2.gz	WOIOWFLGLUJIDM-FUHIMQAGSA-N	1	0	364.486	1.602	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)CN2C[C@H](OC)C[C@]2(C)C[NH3+])c(OC)c1	ZINC000923413628	889188944	/nfs/dbraw/zinc/18/89/44/889188944.db2.gz	WOIOWFLGLUJIDM-MBOZVWFJSA-N	1	0	364.486	1.602	20	30		FDEDRO
C=CCOCCN1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](OC)C1	ZINC001212281762	889364773	/nfs/dbraw/zinc/36/47/73/889364773.db2.gz	AITOVTCSFHZHFW-IAGOWNOFSA-N	1	0	353.507	1.269	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCn2cncn2)C1	ZINC001112543672	889449240	/nfs/dbraw/zinc/44/92/40/889449240.db2.gz	NZJBJOSGRGJNAJ-JPLJXNOCSA-N	1	0	373.501	1.478	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1cc(C)cc(C)c1	ZINC001127605120	889509433	/nfs/dbraw/zinc/50/94/33/889509433.db2.gz	RWFDCFYKXQYPIY-MSOLQXFVSA-N	1	0	359.470	1.929	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O	ZINC001084091554	913375329	/nfs/dbraw/zinc/37/53/29/913375329.db2.gz	CRCKLPLKLBQEFL-AQNXPRMDSA-N	1	0	355.482	1.074	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCCNCc1nc(-c2ccsc2)no1	ZINC001127609346	889740720	/nfs/dbraw/zinc/74/07/20/889740720.db2.gz	WZJBVLADIIZMEC-KGLIPLIRSA-N	1	0	362.455	1.985	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)COc1ccccc1C	ZINC001127612723	889902957	/nfs/dbraw/zinc/90/29/57/889902957.db2.gz	BDZADCASQIUOGV-KSZLIROESA-N	1	0	362.470	1.422	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NCC1CCCCC1	ZINC001127613175	889942863	/nfs/dbraw/zinc/94/28/63/889942863.db2.gz	SVOIOOGFVOZLFS-NXHRZFHOSA-N	1	0	365.518	1.758	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCO[C@H]2C(C)C)[C@H](OC)C1	ZINC001212297628	889950918	/nfs/dbraw/zinc/95/09/18/889950918.db2.gz	HQGQVLOFHYVKJG-MLHJIOFPSA-N	1	0	354.491	1.456	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)Cn2nccc2C)[C@@H](n2ccnn2)C1	ZINC001129284662	890033894	/nfs/dbraw/zinc/03/38/94/890033894.db2.gz	UQLKNSCAIQOGFL-MSOLQXFVSA-N	1	0	371.489	1.571	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1OC	ZINC001212321226	890114733	/nfs/dbraw/zinc/11/47/33/890114733.db2.gz	XHBQGEJPNIFBAY-IPMKNSEASA-N	1	0	366.502	1.766	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnn(CCC)c2)[C@@H](n2ccnn2)C1	ZINC001129294288	890166155	/nfs/dbraw/zinc/16/61/55/890166155.db2.gz	QAGITJRFIGAJIX-NXHRZFHOSA-N	1	0	371.489	1.895	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1	ZINC000939303394	890417361	/nfs/dbraw/zinc/41/73/61/890417361.db2.gz	ORMBDJDQAMFAGD-KSZLIROESA-N	1	0	363.502	1.369	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cnc3cc[nH]cc-3c2=O)[C@H](OC)C1	ZINC001212342501	890625386	/nfs/dbraw/zinc/62/53/86/890625386.db2.gz	CVFCMJICHGVCET-FSPWUOQZSA-N	1	0	370.453	1.707	20	30		FDEDRO
C=CCN1CC[C@H]([NH+]2CCC(CNC(=O)[C@@H]3CCO[C@H]3C=C)CC2)C1=O	ZINC001001851592	891453192	/nfs/dbraw/zinc/45/31/92/891453192.db2.gz	MXLLRBPHHVVPRT-SQNIBIBYSA-N	1	0	361.486	1.193	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccn3c[nH+]cc3c2)c1	ZINC001001893490	891577444	/nfs/dbraw/zinc/57/74/44/891577444.db2.gz	FJMBVEKFUKOTSD-KYJSFNMBSA-N	1	0	374.404	1.710	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C2(C)CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1=O	ZINC000940346692	892310614	/nfs/dbraw/zinc/31/06/14/892310614.db2.gz	NEPDXVJVWJMNIR-NCOADZHNSA-N	1	0	361.486	1.312	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1	ZINC000265777636	892514298	/nfs/dbraw/zinc/51/42/98/892514298.db2.gz	JUSUNCJVGWMQQA-INIZCTEOSA-N	1	0	370.453	1.982	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1ccncc1	ZINC001127685843	892716177	/nfs/dbraw/zinc/71/61/77/892716177.db2.gz	VOETZQUKLCLIAX-RYQLBKOJSA-N	1	0	358.486	1.704	20	30		FDEDRO
COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)c1	ZINC000182405496	892730681	/nfs/dbraw/zinc/73/06/81/892730681.db2.gz	VJXDLGBMUPTYMK-CRAIPNDOSA-N	1	0	374.485	1.744	20	30		FDEDRO
N#Cc1sc(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)nc1Cl	ZINC000888411358	892987647	/nfs/dbraw/zinc/98/76/47/892987647.db2.gz	WHKIMXHSMSEVEG-VHSXEESVSA-N	1	0	355.851	1.731	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3nccn3C)[C@H](C)C2)CCOCC1	ZINC001106932058	893023360	/nfs/dbraw/zinc/02/33/60/893023360.db2.gz	QNUQBRWTHDLLLA-IAGOWNOFSA-N	1	0	360.502	1.977	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1	ZINC000940746492	893028246	/nfs/dbraw/zinc/02/82/46/893028246.db2.gz	VURWXLNRIKAUBN-KURKYZTESA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3nnc(C)[nH]3)[C@H](C)C2)CCOCC1	ZINC001106933209	893037801	/nfs/dbraw/zinc/03/78/01/893037801.db2.gz	IBUQWGLTYYZGBQ-GDBMZVCRSA-N	1	0	361.490	1.670	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1	ZINC000940741163	893061034	/nfs/dbraw/zinc/06/10/34/893061034.db2.gz	ITFJHVUVEVCUSK-ZACQAIPSSA-N	1	0	361.486	1.313	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000940761330	893076288	/nfs/dbraw/zinc/07/62/88/893076288.db2.gz	BRXCWKUDHFCXNP-SZVBFZGTSA-N	1	0	369.465	1.370	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](c3ccccc3)[C@H](NC(=O)CC)C2)CC1	ZINC000940839817	893323874	/nfs/dbraw/zinc/32/38/74/893323874.db2.gz	GIUCEMONHORTSA-VQTJNVASSA-N	1	0	367.493	1.852	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1	ZINC001002604156	893374169	/nfs/dbraw/zinc/37/41/69/893374169.db2.gz	XRBGHFUCRKJJDN-BBWFWOEESA-N	1	0	363.502	1.511	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COc3ccccc3O2)C[C@H]1C	ZINC001106943767	893494930	/nfs/dbraw/zinc/49/49/30/893494930.db2.gz	BOFPCBRKWJEPQJ-MDZRGWNJSA-N	1	0	360.454	1.713	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(Cc3ccc(C#N)cc3F)C[C@H]21	ZINC001084232081	913784207	/nfs/dbraw/zinc/78/42/07/913784207.db2.gz	SNQIDVOCRNIUHJ-BHIYHBOVSA-N	1	0	356.445	1.824	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COc2ccccc2CC)C[C@H]1C	ZINC001106946159	893606816	/nfs/dbraw/zinc/60/68/16/893606816.db2.gz	OUQORUJTZHMTTD-SJLPKXTDSA-N	1	0	371.481	1.061	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)Cc2cccc3cnccc32)[C@H](OC)C1	ZINC001212459123	893742883	/nfs/dbraw/zinc/74/28/83/893742883.db2.gz	XRADPRVKPSYOAG-WOJBJXKFSA-N	1	0	369.465	1.795	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCCN(C(=O)[C@@H](CC)[NH+](C)C)CC1	ZINC000941178566	894019524	/nfs/dbraw/zinc/01/95/24/894019524.db2.gz	QRVAGIRQRPVRMI-KSZLIROESA-N	1	0	365.518	1.759	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1	ZINC000941200452	894097630	/nfs/dbraw/zinc/09/76/30/894097630.db2.gz	KUXMIGTUQRJAMD-BZSNNMDCSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1	ZINC000941211496	894254360	/nfs/dbraw/zinc/25/43/60/894254360.db2.gz	FPCGHVHYZIIWQN-KSZLIROESA-N	1	0	363.502	1.370	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(NC(N)=O)cc2)C[C@H]1C	ZINC001106953040	894443052	/nfs/dbraw/zinc/44/30/52/894443052.db2.gz	MQEYMTJHNBCGKX-GDBMZVCRSA-N	1	0	360.458	1.678	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000922025335	894533408	/nfs/dbraw/zinc/53/34/08/894533408.db2.gz	YEWLOSXJHGVBCN-UHFFFAOYSA-N	1	0	351.859	1.930	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](CCn2nc(C)nc2C)CC1	ZINC001002848300	894591687	/nfs/dbraw/zinc/59/16/87/894591687.db2.gz	IRPGDPFNQXVNRA-MSOLQXFVSA-N	1	0	361.490	1.457	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccccc2OC)C[C@H]1C	ZINC001106954915	894717645	/nfs/dbraw/zinc/71/76/45/894717645.db2.gz	KWPOKRPSCIVCEZ-NVXWUHKLSA-N	1	0	359.470	1.224	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCN(C2C[NH+]([C@H](C)COC)C2)CC1	ZINC000941599627	895353745	/nfs/dbraw/zinc/35/37/45/895353745.db2.gz	FICZKUHYKAJJBE-NEWSRXKRSA-N	1	0	365.518	1.221	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@]2(CCOC2)C1)C(C)C	ZINC000671082036	896162622	/nfs/dbraw/zinc/16/26/22/896162622.db2.gz	MPCQZCBGKIONMR-XLIONFOSSA-N	1	0	363.502	1.440	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](CCOc2ccc(OC)cc2)C1	ZINC001031988906	896175007	/nfs/dbraw/zinc/17/50/07/896175007.db2.gz	RSSRWGAOPDODJU-MOPGFXCFSA-N	1	0	360.454	1.713	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCO[C@H]3C(C)C)nn2)C1	ZINC000999985437	896513617	/nfs/dbraw/zinc/51/36/17/896513617.db2.gz	CDIOOEQUSSSHSY-BZSNNMDCSA-N	1	0	359.474	1.226	20	30		FDEDRO
COCC#CCN1C[C@@H](NC(=O)c2cnn3c2ccc(C)c3C)[C@H](OC)C1	ZINC001212425994	896722956	/nfs/dbraw/zinc/72/29/56/896722956.db2.gz	NYKCDYFHUYHTMV-IEBWSBKVSA-N	1	0	370.453	1.030	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@]2(CC(C)C)CCNC2=O)[C@H](OC)C1	ZINC001212426285	896744740	/nfs/dbraw/zinc/74/47/40/896744740.db2.gz	VOICJJHAPSRIMR-GPMSIDNRSA-N	1	0	351.491	1.320	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H](NC(=O)[C@]23CCC[C@H]2OCC3)CC2(CCOCC2)C1	ZINC001089946977	896792787	/nfs/dbraw/zinc/79/27/87/896792787.db2.gz	SMSWIVWOKYBEBU-UEXGIBASSA-N	1	0	360.498	1.956	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)CC2(CCOCC2)C1	ZINC001089958624	897296166	/nfs/dbraw/zinc/29/61/66/897296166.db2.gz	DSYZTKYIICQBPW-RCCFBDPRSA-N	1	0	370.497	1.534	20	30		FDEDRO
C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)CC2(CCOCC2)C1	ZINC001089959450	897339945	/nfs/dbraw/zinc/33/99/45/897339945.db2.gz	KJVUMRXDLJEBEB-GVDBMIGSSA-N	1	0	356.470	1.144	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1	ZINC000995267886	897652610	/nfs/dbraw/zinc/65/26/10/897652610.db2.gz	QMAHPFIMZXNIRV-GUDVDZBRSA-N	1	0	363.465	1.892	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CNC(=O)c3c[nH]c(C#N)c3)CCC[C@@H]12	ZINC000995277749	897750273	/nfs/dbraw/zinc/75/02/73/897750273.db2.gz	NZTVPUZTRUNXBZ-SQGPQFPESA-N	1	0	369.469	1.482	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C(N)=O)cc2)C1	ZINC001032046806	897808494	/nfs/dbraw/zinc/80/84/94/897808494.db2.gz	BHFUFRAWTLBDAT-ROUUACIJSA-N	1	0	357.454	1.315	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)CCC[NH+](C)C	ZINC001078085624	897880260	/nfs/dbraw/zinc/88/02/60/897880260.db2.gz	SUMHMJUNVVNNBQ-BQFCYCMXSA-N	1	0	353.507	1.711	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](N(CC)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC000942814562	897902087	/nfs/dbraw/zinc/90/20/87/897902087.db2.gz	RNFMUMSRERGYMD-BPQIPLTHSA-N	1	0	368.481	1.466	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccn2c[nH+]cc2c1	ZINC001077579261	898537172	/nfs/dbraw/zinc/53/71/72/898537172.db2.gz	RYYWUBMFZYQOFW-XKQJLSEDSA-N	1	0	356.426	1.550	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCCN(C(=O)C[NH+]2CCCC2)C1	ZINC000943281908	898597791	/nfs/dbraw/zinc/59/77/91/898597791.db2.gz	BGGALEQHSIDZTA-LNLFQRSKSA-N	1	0	363.502	1.561	20	30		FDEDRO
C[C@@H]1CCO[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001078471670	898798208	/nfs/dbraw/zinc/79/82/08/898798208.db2.gz	AZJZCEQEDMKHQS-LZQZEXGQSA-N	1	0	357.454	1.690	20	30		FDEDRO
C[C@@H]1CCO[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001078472375	898803730	/nfs/dbraw/zinc/80/37/30/898803730.db2.gz	VROFWMLMILAPLF-MNEFBYGVSA-N	1	0	357.454	1.690	20	30		FDEDRO
C[C@@H]1CC[C@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3ccccc3C#N)C2)O1	ZINC001078474999	898811094	/nfs/dbraw/zinc/81/10/94/898811094.db2.gz	BACOPLUAFJPKGS-AYOQOUSVSA-N	1	0	357.454	1.833	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cnoc2C)C1	ZINC001078486336	898844452	/nfs/dbraw/zinc/84/44/52/898844452.db2.gz	VKALTESOVISSHE-BZSNNMDCSA-N	1	0	363.458	1.671	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1	ZINC001078538414	898909811	/nfs/dbraw/zinc/90/98/11/898909811.db2.gz	UPXGFXVSNDOBBL-XHSDSOJGSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2	ZINC001060991520	898914925	/nfs/dbraw/zinc/91/49/25/898914925.db2.gz	MWJZAVGZWIZTLV-MDZRGWNJSA-N	1	0	363.502	1.105	20	30		FDEDRO
Cn1ccc(CCC(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)n1	ZINC001084381622	914297178	/nfs/dbraw/zinc/29/71/78/914297178.db2.gz	YPUYMMQQAZTDED-UYAOXDASSA-N	1	0	363.465	1.957	20	30		FDEDRO
Cn1nccc1CCC(=O)N1C[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001084381808	914297441	/nfs/dbraw/zinc/29/74/41/914297441.db2.gz	ABJWICVPXXQDPB-UYAOXDASSA-N	1	0	363.465	1.957	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2nc(C)c(C)s2)C[C@H]1C	ZINC001107000165	898944471	/nfs/dbraw/zinc/94/44/71/898944471.db2.gz	ISDVWUUNVWKJQT-OSAQELSMSA-N	1	0	364.515	1.748	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](OC)C2)CC1	ZINC000943620689	899093358	/nfs/dbraw/zinc/09/33/58/899093358.db2.gz	MUZBKMUHMQOHMT-IAGOWNOFSA-N	1	0	361.486	1.171	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](OC)C1	ZINC000943796880	899417923	/nfs/dbraw/zinc/41/79/23/899417923.db2.gz	QLHDBEQDDCYRKC-HZPDHXFCSA-N	1	0	356.426	1.502	20	30		FDEDRO
C=C[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CC2)[C@H](C)C1)c1ccccc1	ZINC001107018868	899558491	/nfs/dbraw/zinc/55/84/91/899558491.db2.gz	NZCCWSBUVUIDEO-SUMDDJOVSA-N	1	0	355.482	1.919	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C[NH2+]CCC(C)C)[C@H](C)C1	ZINC001107035850	899994926	/nfs/dbraw/zinc/99/49/26/899994926.db2.gz	BFMJJDYGOBKGSE-HZPDHXFCSA-N	1	0	352.523	1.980	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc(C3CC3)c2)C[C@H]1C	ZINC001107048262	900128881	/nfs/dbraw/zinc/12/88/81/900128881.db2.gz	PCWDYVYVDFHIPY-GQIGUUNPSA-N	1	0	367.493	2.000	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C	ZINC001107057176	900244159	/nfs/dbraw/zinc/24/41/59/900244159.db2.gz	PMSJWASGRGNZPE-GDBMZVCRSA-N	1	0	371.441	1.797	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)CS(C)(=O)=O)C[C@H]1C	ZINC001107060869	900367886	/nfs/dbraw/zinc/36/78/86/900367886.db2.gz	NHFQZIFGFNUOSM-DGCLKSJQSA-N	1	0	350.912	1.494	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nc(CCOC)no2)[C@H](C)C1	ZINC001107062552	900373370	/nfs/dbraw/zinc/37/33/70/900373370.db2.gz	MXUBDRUVBICCNY-QLFBSQMISA-N	1	0	366.462	1.034	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cnc(CC)s2)C[C@H]1C	ZINC001107062715	900377149	/nfs/dbraw/zinc/37/71/49/900377149.db2.gz	QNKIPJZORWPLKY-CHWSQXEVSA-N	1	0	350.488	1.305	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccnc(N(C)C)c2)[C@H](C)C1	ZINC001107062838	900390218	/nfs/dbraw/zinc/39/02/18/900390218.db2.gz	VFTAMMXPUUOLJY-JFIYKMOQSA-N	1	0	360.502	1.923	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CCCOC(C)C)C[C@H]2C)C1=O	ZINC001107078023	900565424	/nfs/dbraw/zinc/56/54/24/900565424.db2.gz	YKRFPKNCTQMRDP-KZNAEPCWSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCCO2)C[C@H]1C	ZINC001107085640	900704775	/nfs/dbraw/zinc/70/47/75/900704775.db2.gz	BPSJDHAKSKOAKT-YUELXQCFSA-N	1	0	357.882	1.108	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)c2c(C)nn(C)c2C)C[C@H]1C	ZINC001107086996	900716414	/nfs/dbraw/zinc/71/64/14/900716414.db2.gz	ICIWOLSXBJYSDZ-RVKKMQEKSA-N	1	0	360.502	1.474	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC3(CCN(c4ccc(C#N)nn4)C3)CC2)CC[N@@H+]1C	ZINC001063604373	901024264	/nfs/dbraw/zinc/02/42/64/901024264.db2.gz	VVGHXOMLFWJTFI-NVXWUHKLSA-N	1	0	368.485	1.507	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(c3ccc(C#N)c(C)n3)CCO2)CC[N@@H+]1C	ZINC001063670635	901092490	/nfs/dbraw/zinc/09/24/90/901092490.db2.gz	NEYJXPYKVBWPBC-OKZBNKHCSA-N	1	0	371.485	1.313	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)CC1	ZINC001079084146	901106103	/nfs/dbraw/zinc/10/61/03/901106103.db2.gz	GOHMQHRVSVKIAG-KURKYZTESA-N	1	0	365.518	1.759	20	30		FDEDRO
C#Cc1ccc(C(=O)NCC2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC2)cc1	ZINC001063879354	901177819	/nfs/dbraw/zinc/17/78/19/901177819.db2.gz	OGODOXZZKNFOHZ-CRAIPNDOSA-N	1	0	353.466	1.777	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CC[C@@]2(C)CCC(=O)N2)C[C@H]1C	ZINC001107105030	901276939	/nfs/dbraw/zinc/27/69/39/901276939.db2.gz	BWYGZICJYZDVGR-GPMSIDNRSA-N	1	0	351.491	1.322	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1=O	ZINC000348622174	901334229	/nfs/dbraw/zinc/33/42/29/901334229.db2.gz	VIOYTCZPLVSBHG-ROUUACIJSA-N	1	0	373.453	1.401	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@]3(CCN(c4cnc(C#N)cn4)C3)C2)CC[N@@H+]1C	ZINC001064649532	901515693	/nfs/dbraw/zinc/51/56/93/901515693.db2.gz	CSBVLFHLLXBLQQ-OGWOLHLISA-N	1	0	354.458	1.117	20	30		FDEDRO
N#Cc1ccc(N2C[C@@H]3CCN(C(=O)CCC[NH+]4CCCC4)[C@@H]3C2)nn1	ZINC001090317350	901649729	/nfs/dbraw/zinc/64/97/29/901649729.db2.gz	AGIARDAYDVPREH-DOTOQJQBSA-N	1	0	354.458	1.261	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2CN(c3ccncc3C#N)C[C@H]21	ZINC001090341535	901765893	/nfs/dbraw/zinc/76/58/93/901765893.db2.gz	ZBALGAGMSDIIME-QILLFSRXSA-N	1	0	359.449	1.670	20	30		FDEDRO
CC(C)(C)C[C@@H]1C[C@H]1C(=O)NCC[NH2+]CC(=O)NCC#Cc1ccccc1	ZINC001127710806	901806167	/nfs/dbraw/zinc/80/61/67/901806167.db2.gz	NFBYQQRDRBLOAV-RBUKOAKNSA-N	1	0	369.509	1.932	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001065196749	901914551	/nfs/dbraw/zinc/91/45/51/901914551.db2.gz	FMZMSIXEBLJDFS-OWCLPIDISA-N	1	0	351.491	1.273	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cc[n+]([O-])cc2)C1	ZINC001079126186	901926720	/nfs/dbraw/zinc/92/67/20/901926720.db2.gz	YGTNLIQXCZPIPP-WOJBJXKFSA-N	1	0	367.449	1.584	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H](OC)C1	ZINC000945740074	901927308	/nfs/dbraw/zinc/92/73/08/901927308.db2.gz	ABGITHQZDFLDAA-BRWVUGGUSA-N	1	0	365.518	1.663	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccc(F)nc2)C1	ZINC001079128294	901932368	/nfs/dbraw/zinc/93/23/68/901932368.db2.gz	UKVKYEYZKWWJHD-RTBURBONSA-N	1	0	367.424	1.932	20	30		FDEDRO
C#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccc(Cl)[nH]2)C1	ZINC001079142734	901950044	/nfs/dbraw/zinc/95/00/44/901950044.db2.gz	RATPBKGGDUSUEU-IAGOWNOFSA-N	1	0	357.841	1.989	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ncccn2)C1	ZINC001079146027	901960368	/nfs/dbraw/zinc/96/03/68/901960368.db2.gz	NVCNQBDYZLCILU-QZTJIDSGSA-N	1	0	352.438	1.740	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cccn(C)c2=O)C1	ZINC001079146401	901965789	/nfs/dbraw/zinc/96/57/89/901965789.db2.gz	KGFDJIDCBXLRNJ-RTBURBONSA-N	1	0	367.449	1.259	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnnn2CC)C1	ZINC001079134745	901998671	/nfs/dbraw/zinc/99/86/71/901998671.db2.gz	PHQXYDNEBPSOGU-RTBURBONSA-N	1	0	369.469	1.562	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2c(C)cnn2C)C1	ZINC001079141747	902033377	/nfs/dbraw/zinc/03/33/77/902033377.db2.gz	WFFPQNZBTKCNAN-RTBURBONSA-N	1	0	366.465	1.439	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCC(=O)N2)CC[C@H]1c1ccc(F)cc1	ZINC001079157881	902077800	/nfs/dbraw/zinc/07/78/00/902077800.db2.gz	HIGZAQDQYPQPRF-GBESFXJTSA-N	1	0	371.456	1.792	20	30		FDEDRO
C=CCCC(=O)NCCCCC[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C)O2)CC1	ZINC001079158670	902080636	/nfs/dbraw/zinc/08/06/36/902080636.db2.gz	QQRHXULWDKKEQB-QZTJIDSGSA-N	1	0	365.518	1.951	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccn(C)c2=O)CC[C@H]1c1ccc(F)cc1	ZINC001079161063	902084560	/nfs/dbraw/zinc/08/45/60/902084560.db2.gz	DEHYNNIWOHJJEB-PKOBYXMFSA-N	1	0	367.424	1.746	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1c1cccc(F)c1	ZINC001079198606	902097651	/nfs/dbraw/zinc/09/76/51/902097651.db2.gz	JJUHKXIDCQASCK-SQGPQFPESA-N	1	0	359.445	1.812	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]CCO)C2)c1	ZINC001079198881	902099421	/nfs/dbraw/zinc/09/94/21/902099421.db2.gz	WUHZCQZDLKYTJJ-RBUKOAKNSA-N	1	0	353.397	1.392	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(CC)n2)C[C@H]1c1cccc(F)c1	ZINC001079203590	902104900	/nfs/dbraw/zinc/10/49/00/902104900.db2.gz	CNDDQOFZBDFTRI-FUHWJXTLSA-N	1	0	368.412	1.233	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCn2cnccc2=O)C[C@H]1c1cccc(F)c1	ZINC001079204689	902107774	/nfs/dbraw/zinc/10/77/74/902107774.db2.gz	GPCBLWGCMLNBNL-ZWKOTPCHSA-N	1	0	370.428	1.543	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3n[nH]cc3C2)C[C@H]1c1cccc(F)c1	ZINC001079206885	902112784	/nfs/dbraw/zinc/11/27/84/902112784.db2.gz	BWPHMCLGEBZRDY-MOXGXCLJSA-N	1	0	366.440	1.871	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC(=O)N2C)C[C@H]1c1cccc(F)c1	ZINC001079208520	902115580	/nfs/dbraw/zinc/11/55/80/902115580.db2.gz	UQUUBLZUFYXBBB-KSZLIROESA-N	1	0	357.429	1.354	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cn2cccc(C)c2=O)C[C@H]1c1cccc(F)c1	ZINC001079182673	902124041	/nfs/dbraw/zinc/12/40/41/902124041.db2.gz	VRRILZDEKKMNRD-RBUKOAKNSA-N	1	0	367.424	1.513	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2C)C[C@H]1c1cccc(F)c1	ZINC001079193582	902152479	/nfs/dbraw/zinc/15/24/79/902152479.db2.gz	KUKFJDOHYBMQLD-FGTMMUONSA-N	1	0	359.445	1.907	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cc(C#N)c[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079233305	902168541	/nfs/dbraw/zinc/16/85/41/902168541.db2.gz	NHVPOLXTPIHFQJ-FUHWJXTLSA-N	1	0	352.438	1.463	20	30		FDEDRO
COCC[NH+]1CCC2(CN(C(=O)c3c[nH]c(C#N)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079235470	902172858	/nfs/dbraw/zinc/17/28/58/902172858.db2.gz	AEKALSGHPGVCEE-DLBZAZTESA-N	1	0	358.442	1.086	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H](C)n3cncn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079236967	902177506	/nfs/dbraw/zinc/17/75/06/902177506.db2.gz	GHMYVPGLTFQIKC-IXDOHACOSA-N	1	0	359.474	1.355	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3COC(=O)N3)[C@@H]3COC[C@@H]32)CC1	ZINC001079237994	902178987	/nfs/dbraw/zinc/17/89/87/902178987.db2.gz	BCQXKSDTRJDOQI-ARFHVFGLSA-N	1	0	363.458	1.000	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3COC(=O)N3)[C@@H]3COC[C@@H]32)CC1	ZINC001079237995	902179272	/nfs/dbraw/zinc/17/92/72/902179272.db2.gz	BCQXKSDTRJDOQI-HRCADAONSA-N	1	0	363.458	1.000	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)C[C@H]1c1cccc(F)c1	ZINC001079212140	902196803	/nfs/dbraw/zinc/19/68/03/902196803.db2.gz	KULMDZXWCUFCLK-BBWFWOEESA-N	1	0	360.433	1.439	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3ccc(=O)[nH]n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079221230	902221935	/nfs/dbraw/zinc/22/19/35/902221935.db2.gz	VIEPMMFILWWEDB-GOEBONIOSA-N	1	0	358.442	1.311	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)CCn3cccn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079224872	902230688	/nfs/dbraw/zinc/23/06/88/902230688.db2.gz	IQMXIDISQIHQSJ-ZWKOTPCHSA-N	1	0	358.486	1.789	20	30		FDEDRO
Cc1cncc(C[NH+]2CCC3(CN(C(=O)[C@H](C)C#N)[C@@H]4COC[C@@H]43)CC2)c1	ZINC001079228456	902244398	/nfs/dbraw/zinc/24/43/98/902244398.db2.gz	NCRGMIPWIWKDSX-NZSAHSFTSA-N	1	0	368.481	1.989	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3cc4n(n3)CCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079244910	902251262	/nfs/dbraw/zinc/25/12/62/902251262.db2.gz	MODVFPVPRICCIB-PKOBYXMFSA-N	1	0	370.497	1.958	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CN(C(=O)c3cncn3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079250051	902267297	/nfs/dbraw/zinc/26/72/97/902267297.db2.gz	IZPSDZJIXYOTSX-FUHWJXTLSA-N	1	0	358.486	1.939	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc(OCC)no3)[C@@H]3COC[C@@H]32)CC1	ZINC001079253057	902276180	/nfs/dbraw/zinc/27/61/80/902276180.db2.gz	YHLCVHNHHOQELN-LSDHHAIUSA-N	1	0	359.426	1.260	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cnc4n3CCCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079257945	902289798	/nfs/dbraw/zinc/28/97/98/902289798.db2.gz	FSEUSYKLADCRNU-FUHWJXTLSA-N	1	0	368.481	1.406	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cncc(C#C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079259433	902294962	/nfs/dbraw/zinc/29/49/62/902294962.db2.gz	AFEOWYFSTXIAAC-VQTJNVASSA-N	1	0	363.461	1.639	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc(C4CC4)n[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079261681	902300275	/nfs/dbraw/zinc/30/02/75/902300275.db2.gz	BRIHCNXMVPOYIH-MAUKXSAKSA-N	1	0	354.454	1.473	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cn(CCC)nn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079267908	902318014	/nfs/dbraw/zinc/31/80/14/902318014.db2.gz	BANOEOJAQSMNMF-DOTOQJQBSA-N	1	0	359.474	1.427	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)C3CC3)C[C@H]2c2ccccc2F)C1=O	ZINC001079277963	902365855	/nfs/dbraw/zinc/36/58/55/902365855.db2.gz	DDHFPNFHZZIPET-QXAKKESOSA-N	1	0	371.456	1.907	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1c1ccccc1F)C(N)=O	ZINC001079291531	902390239	/nfs/dbraw/zinc/39/02/39/902390239.db2.gz	DRRQECYBEFJCSO-XQAQDONZSA-N	1	0	369.400	1.097	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1c1ccccc1F	ZINC001079293634	902394885	/nfs/dbraw/zinc/39/48/85/902394885.db2.gz	KEILZQUHBJEBSE-FUHWJXTLSA-N	1	0	357.433	1.968	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2c(C)n[nH]c2C)C[C@H]1c1ccccc1F	ZINC001079321084	902423070	/nfs/dbraw/zinc/42/30/70/902423070.db2.gz	ZUZHBPVKKMOMSP-PKOBYXMFSA-N	1	0	354.429	1.926	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C[C@H]1c1ccccc1F	ZINC001079313912	902450404	/nfs/dbraw/zinc/45/04/04/902450404.db2.gz	YAKOUHHZHGAPLD-HLNWXESRSA-N	1	0	366.440	1.880	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)CSCC#N)C2)CC[N@@H+]1C	ZINC001079343633	902461326	/nfs/dbraw/zinc/46/13/26/902461326.db2.gz	PDEIGFQDMZDWBL-LSDHHAIUSA-N	1	0	352.504	1.033	20	30		FDEDRO
C[NH+](C)[C@@H](C(=O)N1C[C@H]2CCN(CC#Cc3ccccc3)C[C@H]21)C1CC1	ZINC001084406600	914627327	/nfs/dbraw/zinc/62/73/27/914627327.db2.gz	UBFYABXVJCHJSG-NJDAHSKKSA-N	1	0	351.494	1.911	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C2	ZINC000995914592	902690165	/nfs/dbraw/zinc/69/01/65/902690165.db2.gz	TZCKSIIYOSUQOB-FYQPLNBISA-N	1	0	365.477	1.553	20	30		FDEDRO
COc1ccc(C#N)cc1CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1	ZINC001079494847	902712659	/nfs/dbraw/zinc/71/26/59/902712659.db2.gz	PZHMPNKYGGDMDR-OLMNPRSZSA-N	1	0	356.470	1.598	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C)C2CC2)C3)CC1	ZINC000996002166	902876970	/nfs/dbraw/zinc/87/69/70/902876970.db2.gz	ICADGCCMCBOQKU-OAOYMFHYSA-N	1	0	357.498	1.626	20	30		FDEDRO
CC(C)(C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C#N)c[nH]1)C2)[NH+]1CCCC1	ZINC000996006465	902885191	/nfs/dbraw/zinc/88/51/91/902885191.db2.gz	FAEUKPBGARYAKC-VYDXJSESSA-N	1	0	369.469	1.622	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(C#N)c[nH]2)C3)CC1	ZINC000996006787	902885368	/nfs/dbraw/zinc/88/53/68/902885368.db2.gz	GRPKQZYRFBVZFD-RYRKJORJSA-N	1	0	369.469	1.480	20	30		FDEDRO
COc1cccc([C@H](O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)c1	ZINC001079601396	902900540	/nfs/dbraw/zinc/90/05/40/902900540.db2.gz	WTERLMMLNNEHCA-UPRAQXHNSA-N	1	0	368.437	1.679	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)Cc1ccnn1C	ZINC001079638628	902977237	/nfs/dbraw/zinc/97/72/37/902977237.db2.gz	ZHVAHQBAJOHOBH-DNVCBOLYSA-N	1	0	367.453	1.502	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[NH+]3CCC2CC3)[nH]1	ZINC000996103834	903087223	/nfs/dbraw/zinc/08/72/23/903087223.db2.gz	KUKKBDYQWYYYAO-LMSBXDPUSA-N	1	0	367.453	1.090	20	30		FDEDRO
C[NH+](C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(C#N)c1)C2)C1CC1	ZINC000996122856	903152891	/nfs/dbraw/zinc/15/28/91/903152891.db2.gz	RGZCEJZJHICIKZ-LTIDMASMSA-N	1	0	355.442	1.088	20	30		FDEDRO
C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C)N1C(=O)CCC1=O	ZINC001079802960	903374408	/nfs/dbraw/zinc/37/44/08/903374408.db2.gz	AUMISHKEPDXKJZ-CKEIUWERSA-N	1	0	368.437	1.032	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000764094035	903507669	/nfs/dbraw/zinc/50/76/69/903507669.db2.gz	NHPNQGSFCGLYKB-JXFKEZNVSA-N	1	0	372.488	1.852	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccccc2F)C[C@H]1C	ZINC001079878146	903600884	/nfs/dbraw/zinc/60/08/84/903600884.db2.gz	IMAAJQIKRWLXOM-AHRSYUTCSA-N	1	0	357.473	1.902	20	30		FDEDRO
COc1nc2ccccc2cc1C[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000764140049	903743319	/nfs/dbraw/zinc/74/33/19/903743319.db2.gz	GNDSEKJVZVLGRQ-ISLYRVAYSA-N	1	0	352.394	1.859	20	30		FDEDRO
C=CCCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3c3cccnc3)nn2)C1	ZINC001107212008	903954850	/nfs/dbraw/zinc/95/48/50/903954850.db2.gz	KBYOQYXADAACIB-RBUKOAKNSA-N	1	0	366.469	1.916	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2	ZINC000996537862	904066534	/nfs/dbraw/zinc/06/65/34/904066534.db2.gz	IGPOFXOCWNMEMM-ZRNYENFQSA-N	1	0	365.477	1.410	20	30		FDEDRO
CCN1CCOC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001084468975	914784093	/nfs/dbraw/zinc/78/40/93/914784093.db2.gz	KGZADFMTHIXVBY-VAMGGRTRSA-N	1	0	368.481	1.312	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@@]3(CNC(=O)C(C)(C)F)CCC[C@@H]23)C1=O	ZINC001107256809	904158468	/nfs/dbraw/zinc/15/84/68/904158468.db2.gz	SXVRHJKWWBTYGK-QMTMVMCOSA-N	1	0	351.466	1.882	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccccc3O)CCC[C@@H]12	ZINC001107285247	904295576	/nfs/dbraw/zinc/29/55/76/904295576.db2.gz	PNWKMKZXVAQURX-YLJYHZDGSA-N	1	0	355.438	1.116	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]Cc2nnc(C(C)C)[nH]2)CC1	ZINC000996600965	904318577	/nfs/dbraw/zinc/31/85/77/904318577.db2.gz	OEEAUKBKILIHHD-CVEARBPZSA-N	1	0	361.490	1.990	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)OC)CCC[C@@H]12	ZINC001107309827	904410244	/nfs/dbraw/zinc/41/02/44/904410244.db2.gz	RZTBLYYJLVWHAI-SQGPQFPESA-N	1	0	363.502	1.583	20	30		FDEDRO
C=CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H]1CCS(=O)(=O)C1)CC2	ZINC001107327189	904483959	/nfs/dbraw/zinc/48/39/59/904483959.db2.gz	SHRVALLOLDRBSL-JFIYKMOQSA-N	1	0	354.516	1.748	20	30		FDEDRO
C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCOC[C@H]1CCCO1)CC2	ZINC001107329368	904494543	/nfs/dbraw/zinc/49/45/43/904494543.db2.gz	RLZULEZTMSGJBE-QWFCFKBJSA-N	1	0	366.502	1.745	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCS(=O)(=O)CC1)CC2	ZINC001107335930	904505835	/nfs/dbraw/zinc/50/58/35/904505835.db2.gz	FXPHFNKLSGVPEQ-QGPMSJSTSA-N	1	0	367.515	1.332	20	30		FDEDRO
CC(C)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH]c(C#N)c3)CCC[C@@H]12	ZINC001107366806	904574439	/nfs/dbraw/zinc/57/44/39/904574439.db2.gz	UWBCEORCVNPYDY-VQIMIIECSA-N	1	0	357.458	1.385	20	30		FDEDRO
CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccc1C#N)CC2	ZINC001107374664	904606145	/nfs/dbraw/zinc/60/61/45/904606145.db2.gz	YXMNOIOZWZGRSJ-WIYYLYMNSA-N	1	0	368.481	1.945	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(C)(C)C)CC2	ZINC001107377300	904614259	/nfs/dbraw/zinc/61/42/59/904614259.db2.gz	FOCYXSJGANEYOE-CDHQVMDDSA-N	1	0	365.518	1.589	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnnn1CC)CC2	ZINC001107378792	904622359	/nfs/dbraw/zinc/62/23/59/904622359.db2.gz	MVXOCJUBBZAVGX-BHIYHBOVSA-N	1	0	361.490	1.486	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCc1cnn(C)c1)CC2	ZINC001107381311	904649581	/nfs/dbraw/zinc/64/95/81/904649581.db2.gz	IIRBUHAJBICXJH-MISYRCLQSA-N	1	0	360.502	1.651	20	30		FDEDRO
C#CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H](O)COCCOC)CC2	ZINC001107384076	904658282	/nfs/dbraw/zinc/65/82/82/904658282.db2.gz	NSVFMSGUPUCWOY-NLWGTHIKSA-N	1	0	366.502	1.175	20	30		FDEDRO
Cc1nc(C)n(CC[N@@H+]2CC[C@@]3(CNC(=O)C#CC(C)C)CCC[C@@H]23)n1	ZINC001107397136	904718002	/nfs/dbraw/zinc/71/80/02/904718002.db2.gz	UNXCJTVCRJHSJH-UYAOXDASSA-N	1	0	357.502	1.915	20	30		FDEDRO
CCO[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2)C(C)C	ZINC001107402183	904737564	/nfs/dbraw/zinc/73/75/64/904737564.db2.gz	JMEXZLGNBJBJGJ-HHXXYDBFSA-N	1	0	364.490	1.048	20	30		FDEDRO
C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCO[C@H]1CC1(F)F)CC2	ZINC001107401524	904780448	/nfs/dbraw/zinc/78/04/48/904780448.db2.gz	RUBRDROHQKPQMK-SOLBZPMBSA-N	1	0	370.440	1.811	20	30		FDEDRO
COc1ccc(CC[N@@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@H](OC)C2)cc1	ZINC001081540839	904798255	/nfs/dbraw/zinc/79/82/55/904798255.db2.gz	UEKUVYHTTCRNEA-RTBURBONSA-N	1	0	368.437	1.567	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccnn3C(C)C)CCC[C@@H]12	ZINC001107419439	904799895	/nfs/dbraw/zinc/79/98/95/904799895.db2.gz	WWIDURPDOSEXDT-YLJYHZDGSA-N	1	0	371.485	1.188	20	30		FDEDRO
CCn1ccc(CC(=O)NC[C@]23CCC[C@H]2[N@H+](CC#CCOC)CC3)n1	ZINC001107413900	904819033	/nfs/dbraw/zinc/81/90/33/904819033.db2.gz	YYNFNZQQVSJLEE-UYAOXDASSA-N	1	0	358.486	1.456	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)NS(=O)(=O)CC)CCC[C@@H]12	ZINC001107415137	904825217	/nfs/dbraw/zinc/82/52/17/904825217.db2.gz	YGHUUGLUIYYBTG-LZLYRXPVSA-N	1	0	371.547	1.641	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCc3ccnn3C)CCC[C@@H]12	ZINC001107426028	904843376	/nfs/dbraw/zinc/84/33/76/904843376.db2.gz	ZITAWTRSTICLSL-UYAOXDASSA-N	1	0	358.486	1.363	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)COCc3ccc(OC)nc3)CCC[C@@H]12	ZINC001107448619	904965644	/nfs/dbraw/zinc/96/56/44/904965644.db2.gz	LTUNKWAAAREOLG-WIYYLYMNSA-N	1	0	371.481	1.991	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)COCc3ccnc(OC)c3)CCC[C@@H]12	ZINC001107448879	904967501	/nfs/dbraw/zinc/96/75/01/904967501.db2.gz	ZMIFMNBIVRTNLL-WIYYLYMNSA-N	1	0	371.481	1.991	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cccc4n[nH]cc43)C2)C1=O	ZINC001080238972	904977495	/nfs/dbraw/zinc/97/74/95/904977495.db2.gz	GOCHMDXZLGEKIP-FSPWUOQZSA-N	1	0	367.453	1.400	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cn(C)ccc3=O)CCC[C@@H]12	ZINC001107466459	905042268	/nfs/dbraw/zinc/04/22/68/905042268.db2.gz	LWIBFCAQBCENAT-UYAOXDASSA-N	1	0	357.454	1.010	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@]1(C)CCC(=O)NC1	ZINC001080304261	905103682	/nfs/dbraw/zinc/10/36/82/905103682.db2.gz	CUAAPAFTFPTNPB-WIBUTAKZSA-N	1	0	354.454	1.411	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CCCS3(=O)=O)CCC[C@@H]12	ZINC001107488373	905208620	/nfs/dbraw/zinc/20/86/20/905208620.db2.gz	GDUUBKZWUBYONJ-JFIYKMOQSA-N	1	0	352.500	1.338	20	30		FDEDRO
C[C@H](CC(N)=O)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccc(C#N)cc1)CC2	ZINC001107500116	905236204	/nfs/dbraw/zinc/23/62/04/905236204.db2.gz	VTQVBPRJCPCYLL-FQELHTAISA-N	1	0	368.481	1.931	20	30		FDEDRO
C=CC(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCOCC1)CC2	ZINC001107502160	905257911	/nfs/dbraw/zinc/25/79/11/905257911.db2.gz	ADDRMWSEUQFYQW-OXQOHEQNSA-N	1	0	363.502	1.418	20	30		FDEDRO
Cn1cc([C@@H]2C[C@H]2C(=O)NC2CCC([NH+]3CCN(CC#N)CC3)CC2)cn1	ZINC000996788369	905448285	/nfs/dbraw/zinc/44/82/85/905448285.db2.gz	DEIGQPFTVRWLIC-WZOJCFFYSA-N	1	0	370.501	1.092	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)CCCC[NH+](C)C	ZINC001077630115	905826418	/nfs/dbraw/zinc/82/64/18/905826418.db2.gz	DZYYORFTPBICKO-BQFCYCMXSA-N	1	0	353.507	1.711	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccnc(-n3cccn3)c2)[C@H](OC)C1	ZINC001082123829	905858439	/nfs/dbraw/zinc/85/84/39/905858439.db2.gz	HPWGTWWARBWGPM-IAGOWNOFSA-N	1	0	355.442	1.663	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)C3(S(C)(=O)=O)CCC3)CCC[C@@H]12	ZINC001107594095	905878269	/nfs/dbraw/zinc/87/82/69/905878269.db2.gz	DWDGNZSDKJFGFP-NVXWUHKLSA-N	1	0	354.516	1.891	20	30		FDEDRO
C=CCCOCC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001082104798	905887960	/nfs/dbraw/zinc/88/79/60/905887960.db2.gz	ZLLUTJWJBXLJAL-IXDOHACOSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cccc4[nH]cnc43)C2)C1=O	ZINC001080655947	905900089	/nfs/dbraw/zinc/90/00/89/905900089.db2.gz	KPQINSQJMMSIGW-XYPHTWIQSA-N	1	0	367.453	1.400	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)CC(=O)NCC3CC3)CCC[C@@H]12	ZINC001107603661	905939937	/nfs/dbraw/zinc/93/99/37/905939937.db2.gz	IWYIZFAJHRGRNQ-YLJYHZDGSA-N	1	0	363.502	1.466	20	30		FDEDRO
O=C(Cc1nc[nH]n1)NC[C@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2	ZINC001107604159	905945245	/nfs/dbraw/zinc/94/52/45/905945245.db2.gz	IUNXSUKGUNOLJH-WIYYLYMNSA-N	1	0	363.465	1.760	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)Oc3ccccn3)CCC[C@@H]12	ZINC001107613534	905951467	/nfs/dbraw/zinc/95/14/67/905951467.db2.gz	VIMWBCSSNXQIEQ-WAOWUJCRSA-N	1	0	371.481	1.860	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4n[nH]cc4C3)CCC[C@@H]12	ZINC001107608362	905954445	/nfs/dbraw/zinc/95/44/45/905954445.db2.gz	NZCSYSOWJKWATP-LDQXTDLNSA-N	1	0	370.497	1.525	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)c3ccc(C)s3)CCC[C@@H]12	ZINC001107622538	906022562	/nfs/dbraw/zinc/02/25/62/906022562.db2.gz	KOELKRMBKQAFOT-VQIMIIECSA-N	1	0	359.495	1.780	20	30		FDEDRO
COc1ncc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)cn1	ZINC001080711151	906027412	/nfs/dbraw/zinc/02/74/12/906027412.db2.gz	BNCWUQLBTZEZEV-CXAGYDPISA-N	1	0	351.410	1.607	20	30		FDEDRO
C#Cc1ccccc1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2	ZINC001107621776	906065731	/nfs/dbraw/zinc/06/57/31/906065731.db2.gz	WACWSVCZPUSIPS-IFMALSPDSA-N	1	0	370.493	1.580	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(C)CC)CC2	ZINC001107650375	906222154	/nfs/dbraw/zinc/22/21/54/906222154.db2.gz	ARQMIQFSZTWGKF-FRQCXROJSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(CC)CC)CC2	ZINC001107650559	906224686	/nfs/dbraw/zinc/22/46/86/906224686.db2.gz	FMRXOGSHHWTNCA-SQGPQFPESA-N	1	0	365.518	1.807	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)CCC[C@@H]12	ZINC001107648400	906275998	/nfs/dbraw/zinc/27/59/98/906275998.db2.gz	JERIJRWJJWQNGE-ZKXKZDSHSA-N	1	0	369.509	1.389	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@H]1C	ZINC001080806795	906292381	/nfs/dbraw/zinc/29/23/81/906292381.db2.gz	HOTAIQIEYLFCDU-ZIFCJYIRSA-N	1	0	371.481	1.960	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1C	ZINC001080807141	906294946	/nfs/dbraw/zinc/29/49/46/906294946.db2.gz	YSIIAZZKFWCUTC-JFIYKMOQSA-N	1	0	371.481	1.959	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC34CCOCC4)CCC[C@@H]12	ZINC001107656402	906297429	/nfs/dbraw/zinc/29/74/29/906297429.db2.gz	PJCPSQMBSJXREH-DBXWQHBBSA-N	1	0	360.498	1.814	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3ccnc3)cn2)[C@H](OC)C1	ZINC001082323305	906875647	/nfs/dbraw/zinc/87/56/47/906875647.db2.gz	OCIAYRLWOVCHLL-QZTJIDSGSA-N	1	0	355.442	1.663	20	30		FDEDRO
CC#CC[NH2+][C@H]1CCN(c2cccc(CNC(=O)[C@@H]3C[C@H]3C3CC3)n2)C1	ZINC001127851720	906881737	/nfs/dbraw/zinc/88/17/37/906881737.db2.gz	DZDLYKAILBHDJM-GBESFXJTSA-N	1	0	352.482	1.936	20	30		FDEDRO
CO[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001082326601	906907091	/nfs/dbraw/zinc/90/70/91/906907091.db2.gz	JWNOVPUKGDADTH-VAMGGRTRSA-N	1	0	355.482	1.195	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001082326758	906908427	/nfs/dbraw/zinc/90/84/27/906908427.db2.gz	PPGUENZQXAIFBS-IAOVAPTHSA-N	1	0	362.499	1.277	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC000997003299	906914576	/nfs/dbraw/zinc/91/45/76/906914576.db2.gz	JPVNLMUCYUGRNL-IDAWXYBZSA-N	1	0	355.442	1.088	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2nnnn2C2CC2)CC1	ZINC000997012094	906927710	/nfs/dbraw/zinc/92/77/10/906927710.db2.gz	OZCRYADJMLSMHU-WQVCFCJDSA-N	1	0	360.462	1.241	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)N2CCCC[C@@H]2C)CC1	ZINC000997012518	906928868	/nfs/dbraw/zinc/92/88/68/906928868.db2.gz	UYLPIPMPFBTFFV-JQHSSLGASA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3c3cccnc3)CC2)C1=O	ZINC000997025392	906948982	/nfs/dbraw/zinc/94/89/82/906948982.db2.gz	DOPWIYBDFVYLDR-OTWHNJEPSA-N	1	0	368.481	1.553	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3c3cccnc3)CC2)C1=O	ZINC000997025388	906949172	/nfs/dbraw/zinc/94/91/72/906949172.db2.gz	DOPWIYBDFVYLDR-IPMKNSEASA-N	1	0	368.481	1.553	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN([C@H](C)c3nc(C)no3)C[C@H]2C)CC1	ZINC001080992675	906962344	/nfs/dbraw/zinc/96/23/44/906962344.db2.gz	UXSWIOJBKALGAS-CKEIUWERSA-N	1	0	359.474	1.221	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN([C@H](C)c3nnc(C)o3)C[C@H]2C)CC1	ZINC001080997727	906972906	/nfs/dbraw/zinc/97/29/06/906972906.db2.gz	JVTOUKDBZOKHSD-CKEIUWERSA-N	1	0	359.474	1.221	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nnc(C)s2)CC1	ZINC000997084368	907215003	/nfs/dbraw/zinc/21/50/03/907215003.db2.gz	MHYPAJRLDQUQRQ-HOCLYGCPSA-N	1	0	350.488	1.908	20	30		FDEDRO
Cc1nnc(CN[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2c2ccccc2)o1	ZINC001081115739	907218989	/nfs/dbraw/zinc/21/89/89/907218989.db2.gz	LPJILZHBAGUTMV-ZWKOTPCHSA-N	1	0	350.422	1.876	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)N2CCC2)C1	ZINC001081115984	907219618	/nfs/dbraw/zinc/21/96/18/907219618.db2.gz	YWYXTHFRSUEXKN-RBUKOAKNSA-N	1	0	351.450	1.216	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2nc(C)c(C)[nH]c2=O)C[C@H]1c1ccccc1	ZINC001081132185	907231920	/nfs/dbraw/zinc/23/19/20/907231920.db2.gz	LQQNMXFUJSFTMA-DLBZAZTESA-N	1	0	352.438	1.771	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nn(CC)nc2C)CC1	ZINC000997085406	907261420	/nfs/dbraw/zinc/26/14/20/907261420.db2.gz	SBPNDVDXYYNGML-WMZOPIPTSA-N	1	0	361.490	1.668	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccccc2C(N)=O)C[C@H]1c1ccccc1	ZINC001081156625	907273568	/nfs/dbraw/zinc/27/35/68/907273568.db2.gz	UAGIEALZTOYKNV-VQTJNVASSA-N	1	0	361.445	1.545	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C[C@H]1c1ccccc1	ZINC001081160044	907279729	/nfs/dbraw/zinc/27/97/29/907279729.db2.gz	QKKMOTGFSCQHSO-XHSDSOJGSA-N	1	0	362.861	1.347	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3cnc(C)n3C2)C[C@H]1c1ccccc1	ZINC001081170983	907293707	/nfs/dbraw/zinc/29/37/07/907293707.db2.gz	YBYZVPGWLMMWAW-HLAWJBBLSA-N	1	0	362.477	1.971	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(C)nn(C)c2OC)C[C@H]1c1ccccc1	ZINC001081190498	907367458	/nfs/dbraw/zinc/36/74/58/907367458.db2.gz	FWFSFMVSHOGJIG-DLBZAZTESA-N	1	0	352.438	1.568	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1c1ccccc1	ZINC001081205111	907391875	/nfs/dbraw/zinc/39/18/75/907391875.db2.gz	KBZPYTVMFHGTNP-JKSUJKDBSA-N	1	0	360.849	1.400	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N[C@@H]2C[N@@H+]([C@@H](C)COC)C[C@H]2OC)cc1	ZINC001082387331	907420082	/nfs/dbraw/zinc/42/00/82/907420082.db2.gz	YXJYVRSVKKHTRE-KFKAGJAMSA-N	1	0	362.470	1.644	20	30		FDEDRO
C=C(C)C[NH2+]Cc1ccncc1O[C@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1	ZINC001127888447	907490753	/nfs/dbraw/zinc/49/07/53/907490753.db2.gz	PPHTYNHDGKOVTI-ZWOKBUDYSA-N	1	0	357.454	1.764	20	30		FDEDRO
C[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082418786	907583405	/nfs/dbraw/zinc/58/34/05/907583405.db2.gz	WHYAACXWCWENSE-CXAGYDPISA-N	1	0	358.417	1.256	20	30		FDEDRO
C=CC[NH2+]Cc1ccncc1O[C@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1	ZINC001127898534	907588318	/nfs/dbraw/zinc/58/83/18/907588318.db2.gz	RSJVZRKIVHNMFR-XDNAFOTISA-N	1	0	357.454	1.904	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2cccn2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082427935	907675196	/nfs/dbraw/zinc/67/51/96/907675196.db2.gz	UTLGRAMIRPJJKS-RDTXWAMCSA-N	1	0	355.417	1.921	20	30		FDEDRO
CCCc1nc(C)c(CN2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@H](OC)C2)o1	ZINC001081498358	907692541	/nfs/dbraw/zinc/69/25/41/907692541.db2.gz	ZGTMPHNYXDBFJW-NVXWUHKLSA-N	1	0	371.441	1.765	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(=O)[nH]c(-c3ccccc3)n2)C1	ZINC001082450813	907730424	/nfs/dbraw/zinc/73/04/24/907730424.db2.gz	IRHFQMOLYQWECU-JJRVBVJISA-N	1	0	365.437	1.945	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3cc[nH]n3)C[C@H]2C)cc1C#N	ZINC001082456583	907855272	/nfs/dbraw/zinc/85/52/72/907855272.db2.gz	OFXLHHLOXWFPKA-CXAGYDPISA-N	1	0	353.426	1.469	20	30		FDEDRO
COc1cccc([C@H](O)C[NH2+][C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)c1	ZINC001082464752	907898393	/nfs/dbraw/zinc/89/83/93/907898393.db2.gz	FOBYMSVHHDLLLQ-UPRAQXHNSA-N	1	0	368.437	1.679	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]Cc1ccc2c(c1)OCCO2	ZINC001082480049	907947448	/nfs/dbraw/zinc/94/74/48/907947448.db2.gz	BPFSPPXZFGCIIX-CXAGYDPISA-N	1	0	366.421	1.908	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccoc3Cl)C[C@H]2C)C1=O	ZINC001082490507	907998370	/nfs/dbraw/zinc/99/83/70/907998370.db2.gz	FZUKQUYIKWTFHH-KWCYVHTRSA-N	1	0	351.834	1.770	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2ncc[nH]2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082492688	908013668	/nfs/dbraw/zinc/01/36/68/908013668.db2.gz	GDFLNPDJEJSWAW-CXAGYDPISA-N	1	0	355.417	1.990	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]Cc1cc(C(F)(F)F)nn1C	ZINC001082504722	908115467	/nfs/dbraw/zinc/11/54/67/908115467.db2.gz	BKLXTQIHDUQCHO-BXUZGUMPSA-N	1	0	354.376	1.789	20	30		FDEDRO
COCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)nn1	ZINC001082506949	908139873	/nfs/dbraw/zinc/13/98/73/908139873.db2.gz	QQYUJGNFMXJYLZ-RHSMWYFYSA-N	1	0	368.441	1.046	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1	ZINC001060822769	908156034	/nfs/dbraw/zinc/15/60/34/908156034.db2.gz	FMZWBJYXIDHQQL-TVFCKZIOSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccnn3C3CCC3)C[C@H]2C)C1=O	ZINC001082517088	908193957	/nfs/dbraw/zinc/19/39/57/908193957.db2.gz	TVJHFCYRJSLNTB-DJIMGWMZSA-N	1	0	371.485	1.445	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccn(C(F)F)n3)C[C@H]2C)C1=O	ZINC001082533952	908303166	/nfs/dbraw/zinc/30/31/66/908303166.db2.gz	MCYICTDSCZACSE-MBNYWOFBSA-N	1	0	367.400	1.115	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCC3(F)F)C[C@H]2O)nn1	ZINC001077801464	908305470	/nfs/dbraw/zinc/30/54/70/908305470.db2.gz	SRSMGDGHXFSUDC-GZBFAFLISA-N	1	0	369.416	1.065	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCC3(F)F)C[C@H]2O)nn1	ZINC001077801465	908306235	/nfs/dbraw/zinc/30/62/35/908306235.db2.gz	SRSMGDGHXFSUDC-UMVBOHGHSA-N	1	0	369.416	1.065	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3c(C)cc(C)cc3C)C[C@H]2O)nn1	ZINC001077801492	908306523	/nfs/dbraw/zinc/30/65/23/908306523.db2.gz	UJCANRVLMXXORT-IEBWSBKVSA-N	1	0	369.469	1.364	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(C#N)c[nH]1	ZINC000997365327	908353355	/nfs/dbraw/zinc/35/33/55/908353355.db2.gz	SCAXKACRGXYWDD-MXSMSXNCSA-N	1	0	369.469	1.622	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cccc(C)c3F)C[C@H]2C)C1=O	ZINC001082526965	908369927	/nfs/dbraw/zinc/36/99/27/908369927.db2.gz	HMSAWNXRAIKYHF-DJIMGWMZSA-N	1	0	359.445	1.971	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082542227	908413786	/nfs/dbraw/zinc/41/37/86/908413786.db2.gz	ADFKVWHXEDIVAG-SRCQZFHVSA-N	1	0	358.417	1.112	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C#N)C1)N1C(=O)CCC1=O	ZINC001082543721	908426389	/nfs/dbraw/zinc/42/63/89/908426389.db2.gz	LTBQYESNTDJPPS-JKIFEVAISA-N	1	0	368.437	1.032	20	30		FDEDRO
COc1ccc(CNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)cc1C#N	ZINC000921571161	908440329	/nfs/dbraw/zinc/44/03/29/908440329.db2.gz	DVSRBQVEQFAUIN-JKSUJKDBSA-N	1	0	360.483	1.946	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082541485	908566110	/nfs/dbraw/zinc/56/61/10/908566110.db2.gz	AMPMOHKCDUYUIO-SRCQZFHVSA-N	1	0	358.417	1.112	20	30		FDEDRO
CC[C@]1(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)s3)C2)CCNC1=O	ZINC001082571935	908569112	/nfs/dbraw/zinc/56/91/12/908569112.db2.gz	GVZPBDPLWSXDHQ-DWQUBVKVSA-N	1	0	360.483	1.473	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1C	ZINC001082556609	908581477	/nfs/dbraw/zinc/58/14/77/908581477.db2.gz	WGLBOXXMNGDNAV-FRFSOERESA-N	1	0	370.453	1.030	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082556679	908581675	/nfs/dbraw/zinc/58/16/75/908581675.db2.gz	YQIGXVZGUXHRLE-HACGYAERSA-N	1	0	358.417	1.160	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082556699	908582371	/nfs/dbraw/zinc/58/23/71/908582371.db2.gz	ZBGIJAOLRPXCLT-HACGYAERSA-N	1	0	358.417	1.160	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCCCC2)C1	ZINC001082561540	908627424	/nfs/dbraw/zinc/62/74/24/908627424.db2.gz	ZCBPFGIYJLPQTH-IAGOWNOFSA-N	1	0	358.486	1.737	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082562995	908648099	/nfs/dbraw/zinc/64/80/99/908648099.db2.gz	ZDSAKBWNXFZHEU-CXAGYDPISA-N	1	0	351.410	1.397	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncc(Cl)n2C)C1	ZINC001082567813	908703108	/nfs/dbraw/zinc/70/31/08/908703108.db2.gz	CSEZPMSCRVKIJR-KFWWJZLASA-N	1	0	363.893	1.108	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)nc2)C1	ZINC001082567975	908705227	/nfs/dbraw/zinc/70/52/27/908705227.db2.gz	PDKHJVJKKBFUOW-NXHRZFHOSA-N	1	0	356.470	1.124	20	30		FDEDRO
Cc1cc(=O)c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)cn1C	ZINC001082578255	908758049	/nfs/dbraw/zinc/75/80/49/908758049.db2.gz	XLEWNGLJMJDZFK-AUUYWEPGSA-N	1	0	364.449	1.816	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCN(C)C2=O)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082581515	908788137	/nfs/dbraw/zinc/78/81/37/908788137.db2.gz	PZLANJIKSHKLDN-ZTFGCOKTSA-N	1	0	354.454	1.363	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCN(C)C2=O)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082581761	908791139	/nfs/dbraw/zinc/79/11/39/908791139.db2.gz	ZTNARPYTMHSWLY-IIDMSEBBSA-N	1	0	354.454	1.363	20	30		FDEDRO
Cc1cc(OCC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)no1	ZINC001082573256	908807805	/nfs/dbraw/zinc/80/78/05/908807805.db2.gz	DXBZCUBTQJRVKH-CXAGYDPISA-N	1	0	354.410	1.870	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C[C@H]1C	ZINC001082594323	908880934	/nfs/dbraw/zinc/88/09/34/908880934.db2.gz	PAFVOYNOAPSFOL-HKWIRBFKSA-N	1	0	356.772	1.522	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCc3nccn3C2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082603263	908914150	/nfs/dbraw/zinc/91/41/50/908914150.db2.gz	RHNWLNHXAAKOBK-AYOQOUSVSA-N	1	0	363.465	1.954	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCn3ccnc3C2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082603971	908921990	/nfs/dbraw/zinc/92/19/90/908921990.db2.gz	XELGEPPNZZLEFD-ATZDWAIDSA-N	1	0	363.465	1.954	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082610903	909002726	/nfs/dbraw/zinc/00/27/26/909002726.db2.gz	HSEJBLUFKGCORE-HACGYAERSA-N	1	0	358.417	1.160	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3n[nH]c4c3CCCC4)C[C@H]2C)C1=O	ZINC001082614212	909044319	/nfs/dbraw/zinc/04/43/19/909044319.db2.gz	VYKDYPLCLZAEEE-XOKHGSTOSA-N	1	0	371.485	1.126	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(C(CC)CC)C2)[C@H](OC)C1	ZINC001212357765	909102113	/nfs/dbraw/zinc/10/21/13/909102113.db2.gz	VXDPADYKRNZVKA-KBAYOESNSA-N	1	0	365.518	1.805	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CN(C)C(=O)c2cccs2)[C@H](OC)C1	ZINC001212361551	909132220	/nfs/dbraw/zinc/13/22/20/909132220.db2.gz	UFNOPWSNACKHCE-HUUCEWRRSA-N	1	0	365.499	1.602	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082626740	909213927	/nfs/dbraw/zinc/21/39/27/909213927.db2.gz	HYFUJKYTVMIEBT-RHSMWYFYSA-N	1	0	368.437	1.034	20	30		FDEDRO
COc1nccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(C#N)ccc3F)C2)n1	ZINC001082636789	909238573	/nfs/dbraw/zinc/23/85/73/909238573.db2.gz	SAHRPOMJYSRFJA-SJKOYZFVSA-N	1	0	369.400	1.746	20	30		FDEDRO
COc1coc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)cc1=O	ZINC001082644498	909294071	/nfs/dbraw/zinc/29/40/71/909294071.db2.gz	ODVKPCBSDKNDQE-CZUORRHYSA-N	1	0	367.405	1.770	20	30		FDEDRO
C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1	ZINC000997643324	909353920	/nfs/dbraw/zinc/35/39/20/909353920.db2.gz	LMCHOOXQQRBEIR-CFVMTHIKSA-N	1	0	362.392	1.573	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082652169	909359468	/nfs/dbraw/zinc/35/94/68/909359468.db2.gz	IXWPCQDKLAMTOK-XVCYEZIBSA-N	1	0	351.450	1.918	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@]3(C)CNC(=O)C3)C[C@H]2C)cc1C#N	ZINC001082659677	909374962	/nfs/dbraw/zinc/37/49/62/909374962.db2.gz	XFMAUTFEQGHBNE-OWDMVUQNSA-N	1	0	370.453	1.030	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082662566	909390381	/nfs/dbraw/zinc/39/03/81/909390381.db2.gz	KLVQMBQRRMKOBY-MLGOLLRUSA-N	1	0	352.394	1.500	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cn(-c3cccnc3)nn2)[C@H](OC)C1	ZINC001212377259	909481022	/nfs/dbraw/zinc/48/10/22/909481022.db2.gz	BRXJDXRVCSFYQO-QGPMSJSTSA-N	1	0	370.457	1.446	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2C)C[C@H]1C	ZINC001082680153	909508397	/nfs/dbraw/zinc/50/83/97/909508397.db2.gz	SANQGIWAHWMMMA-KGYLQXTDSA-N	1	0	358.280	1.342	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)C1	ZINC001082686117	909573685	/nfs/dbraw/zinc/57/36/85/909573685.db2.gz	ZGYMTMWWOTWLIR-JHJVBQTASA-N	1	0	361.408	1.798	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nncs2)CC1	ZINC000997782089	909689482	/nfs/dbraw/zinc/68/94/82/909689482.db2.gz	PTGUOVOABKKRCU-CABCVRRESA-N	1	0	350.488	1.848	20	30		FDEDRO
C[C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082707847	909738851	/nfs/dbraw/zinc/73/88/51/909738851.db2.gz	HAXGLNHYAXLRTQ-RDTXWAMCSA-N	1	0	353.426	1.307	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082721533	909827140	/nfs/dbraw/zinc/82/71/40/909827140.db2.gz	XOWASUHGWMNEIL-IAQYHMDHSA-N	1	0	357.389	1.387	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCC[C@@H](C)C3)C2)c1	ZINC001082730362	909866952	/nfs/dbraw/zinc/86/69/52/909866952.db2.gz	QEGPXRGJYZJRAW-GPMSIDNRSA-N	1	0	368.481	1.372	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082744809	909966524	/nfs/dbraw/zinc/96/65/24/909966524.db2.gz	IUAIZQZQCBVJML-NKGKWGDASA-N	1	0	354.454	1.219	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1C	ZINC001082745164	909968759	/nfs/dbraw/zinc/96/87/59/909968759.db2.gz	GGIUKKSRIKIBNN-ZWNOBZJWSA-N	1	0	356.268	1.093	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cn(C)nc2C(F)F)C1	ZINC001082751900	909998066	/nfs/dbraw/zinc/99/80/66/909998066.db2.gz	FZVYPEBIPAAMBN-NGFQHRJXSA-N	1	0	368.428	1.885	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)Cn2nccc2C)C[C@H]1C	ZINC001082771237	910084116	/nfs/dbraw/zinc/08/41/16/910084116.db2.gz	UBJFJZYHDPTASZ-RDTXWAMCSA-N	1	0	367.453	1.709	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccnn3C)C2)cc1	ZINC001082789316	910152230	/nfs/dbraw/zinc/15/22/30/910152230.db2.gz	ADACROVPBYOAGD-DNVCBOLYSA-N	1	0	352.438	1.682	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)CCc2cn[nH]c2)C[C@H]1C	ZINC001082794958	910207489	/nfs/dbraw/zinc/20/74/89/910207489.db2.gz	XBDPCZAKXSSNEG-RDTXWAMCSA-N	1	0	367.453	1.859	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cncc(Cl)c3)C[C@H]2C)C1=O	ZINC001082805917	910208908	/nfs/dbraw/zinc/20/89/08/910208908.db2.gz	MIEUDTALGBUEMB-DAXOMENPSA-N	1	0	362.861	1.572	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccnc(OC)n2)C1	ZINC001082798664	910215952	/nfs/dbraw/zinc/21/59/52/910215952.db2.gz	GADSSTRDNSXZLC-XBVQOTNRSA-N	1	0	360.458	1.403	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc3nncn3c2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082804446	910233759	/nfs/dbraw/zinc/23/37/59/910233759.db2.gz	JNGJPWXYBMIQJC-RDTXWAMCSA-N	1	0	360.421	1.851	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2oc(C)nc2C)C1	ZINC001082868905	910507428	/nfs/dbraw/zinc/50/74/28/910507428.db2.gz	ARJUMHBPWUXSBK-CXAGYDPISA-N	1	0	368.437	1.949	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccc(F)cc3F)C[C@H]2C)C1=O	ZINC001082894404	910721626	/nfs/dbraw/zinc/72/16/26/910721626.db2.gz	INCFRHMTEQSDGN-OAUYIBNBSA-N	1	0	363.408	1.802	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CCCC1=O	ZINC001085129992	921604840	/nfs/dbraw/zinc/60/48/40/921604840.db2.gz	RHGFFCUHSXNSAA-QZTJIDSGSA-N	1	0	354.454	1.698	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082924253	910911884	/nfs/dbraw/zinc/91/18/84/910911884.db2.gz	DMMPQNZFYJWJBW-MEBBXXQBSA-N	1	0	357.439	1.297	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1)N1CCCCC1=O	ZINC001082938331	911025099	/nfs/dbraw/zinc/02/50/99/911025099.db2.gz	IWXWDSZLXCBPDL-GPMSIDNRSA-N	1	0	368.481	1.896	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2C[C@@H](C)[C@H]([NH2+][C@H]3CCN(C)C3=O)C2)cc1	ZINC001082949276	911063568	/nfs/dbraw/zinc/06/35/68/911063568.db2.gz	DSIXSKOHZMAMPB-AYOQOUSVSA-N	1	0	371.481	1.461	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cn(C)nn2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082961962	911184553	/nfs/dbraw/zinc/18/45/53/911184553.db2.gz	FMIVTGDRFPCQAE-RDTXWAMCSA-N	1	0	352.442	1.256	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C3)nc1	ZINC000998626453	911325733	/nfs/dbraw/zinc/32/57/33/911325733.db2.gz	TZBLKZXZVNYTEP-NBMJBFSESA-N	1	0	366.465	1.266	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)CCc2c(C)nc(=O)[nH]c2C)[C@H](OC)C1	ZINC001212406392	911384697	/nfs/dbraw/zinc/38/46/97/911384697.db2.gz	QVPVTYNZSQGZFB-IAGOWNOFSA-N	1	0	362.474	1.513	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC([NH2+]CCn2nc(C)nc2C)C1	ZINC000998787158	911669579	/nfs/dbraw/zinc/66/95/79/911669579.db2.gz	FEFBEKLFRZAMTM-HIEASXQVSA-N	1	0	361.490	1.455	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ncnn2CCF)C1	ZINC000998788197	911674221	/nfs/dbraw/zinc/67/42/21/911674221.db2.gz	PVCHJBNNPBCQJV-FJBKBRRZSA-N	1	0	365.453	1.308	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)Cc3cc(OC)ccc3OC)[C@H]2C1	ZINC001083110691	911894821	/nfs/dbraw/zinc/89/48/21/911894821.db2.gz	PFQMROVGIXBAJK-PKOBYXMFSA-N	1	0	360.454	1.734	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CCCC[N@H+]2C)cn1	ZINC000998950089	911899178	/nfs/dbraw/zinc/89/91/78/911899178.db2.gz	JJCFUTFEZZTLIT-YDZRNGNQSA-N	1	0	366.465	1.409	20	30		FDEDRO
C=C(Br)CN1C[C@H]2OCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]2C1	ZINC001083119077	911924137	/nfs/dbraw/zinc/92/41/37/911924137.db2.gz	BLPIJIGMJMTEMV-HZSPNIEDSA-N	1	0	360.296	1.147	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1OC	ZINC001212410528	911927920	/nfs/dbraw/zinc/92/79/20/911927920.db2.gz	SHZHSUDQOHZWHD-IEBWSBKVSA-N	1	0	361.486	1.920	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3cn4c(n3)C[C@@H](C)CC4)[C@H]2C1	ZINC001083120951	911932260	/nfs/dbraw/zinc/93/22/60/911932260.db2.gz	NIVBOVVCJFTKBW-RYQLBKOJSA-N	1	0	358.486	1.957	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3COc4cc(F)ccc4C3)[C@H]2C1	ZINC001083080058	911941720	/nfs/dbraw/zinc/94/17/20/911941720.db2.gz	DTEYDHRQIREJED-VDZJLULYSA-N	1	0	358.413	1.312	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnc4ccccn4c3=O)[C@H]2C1	ZINC001083122673	911957651	/nfs/dbraw/zinc/95/76/51/911957651.db2.gz	KXUZCEVRTHQNKS-DLBZAZTESA-N	1	0	368.437	1.186	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[N@@H+](C)C1	ZINC000999012983	911962739	/nfs/dbraw/zinc/96/27/39/911962739.db2.gz	NHWWRDCUUNNDAT-ZRNYENFQSA-N	1	0	365.477	1.410	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC[NH+](C)CC2)cc1	ZINC000999071593	912025314	/nfs/dbraw/zinc/02/53/14/912025314.db2.gz	FCWDGGRRFNXUEV-AABGKKOBSA-N	1	0	365.477	1.871	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3ccc4c(c3)NC(=O)C4)[C@H]2C1	ZINC001083108323	912063797	/nfs/dbraw/zinc/06/37/97/912063797.db2.gz	LZRMJYCBXWXMEJ-RBUKOAKNSA-N	1	0	369.465	1.602	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4c(c3)C(C)(C)CO4)[C@H]2C1	ZINC001083140185	912145820	/nfs/dbraw/zinc/14/58/20/912145820.db2.gz	QMPWRGDZOROFBK-PKOBYXMFSA-N	1	0	354.450	1.905	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCCN3CC(F)F)[C@@H]2C1	ZINC001084547799	915311887	/nfs/dbraw/zinc/31/18/87/915311887.db2.gz	NLPMKOQIBHNTOM-BZUAXINKSA-N	1	0	357.445	1.451	20	30		FDEDRO
Cc1nc[nH]c(=O)c1C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001084596032	915574973	/nfs/dbraw/zinc/57/49/73/915574973.db2.gz	QPBAEYISDTWPMT-IAGOWNOFSA-N	1	0	363.421	1.709	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@H]3CC[N@H+](CCN4C(=O)CCC4=O)C[C@H]32)CC1	ZINC001084631493	915710777	/nfs/dbraw/zinc/71/07/77/915710777.db2.gz	VTDBQXZETKWYON-IAGOWNOFSA-N	1	0	359.470	1.415	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2ccc(F)c(S(N)(=O)=O)c2)CC1	ZINC000729975040	915899204	/nfs/dbraw/zinc/89/92/04/915899204.db2.gz	GBQYUFQIJBRKGJ-UHFFFAOYSA-N	1	0	355.435	1.243	20	30		FDEDRO
C#CCN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1C	ZINC000730143501	916186950	/nfs/dbraw/zinc/18/69/50/916186950.db2.gz	VXVRDDNCTWKFGP-MRXNPFEDSA-N	1	0	372.494	1.628	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CCC(=O)N2CCOc3ccccc32)CC1	ZINC000730285732	916476584	/nfs/dbraw/zinc/47/65/84/916476584.db2.gz	GUBFGBZBZYPZOW-UHFFFAOYSA-N	1	0	357.454	1.959	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC(=O)N(C)[C@@H]3c3cccnc3)[C@@H]2C1	ZINC001084714049	916489910	/nfs/dbraw/zinc/48/99/10/916489910.db2.gz	LQWRUZJHVPSQJX-AJYBTWMASA-N	1	0	368.481	1.710	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]21	ZINC001084715603	916499760	/nfs/dbraw/zinc/49/97/60/916499760.db2.gz	NXPKCWKUDFWLGO-RMJJICAUSA-N	1	0	371.481	1.399	20	30		FDEDRO
C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(Cc4cc(C#N)ccc4F)C[C@H]32)C1	ZINC001084830005	917504591	/nfs/dbraw/zinc/50/45/91/917504591.db2.gz	HAXYWJWYWNVTAV-JTDSTZFVSA-N	1	0	356.445	1.682	20	30		FDEDRO
COc1ccc(CN2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)cc1C#N	ZINC001084832745	917533637	/nfs/dbraw/zinc/53/36/37/917533637.db2.gz	VKMONRDBXPOXMM-IEBWSBKVSA-N	1	0	368.481	1.695	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1	ZINC000731126386	917772573	/nfs/dbraw/zinc/77/25/73/917772573.db2.gz	UJIHNKODZOCLQC-KRWDZBQOSA-N	1	0	355.438	1.724	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)CCn4cncn4)C[C@@H]32)c1	ZINC001084891089	918035367	/nfs/dbraw/zinc/03/53/67/918035367.db2.gz	CAKIEXGTBAJLLY-MOPGFXCFSA-N	1	0	364.453	1.663	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H]2CC[N@H+](Cc3cc(-c4cnn(C)c4)no3)[C@H]2C1	ZINC001084907050	918173975	/nfs/dbraw/zinc/17/39/75/918173975.db2.gz	SEDWVVKCOPOLDW-IYOUNJFTSA-N	1	0	368.441	1.658	20	30		FDEDRO
S=C(NN=C1CC[NH+](CCN2CCOCC2)CC1)Nc1ccccc1	ZINC000731557181	918196289	/nfs/dbraw/zinc/19/62/89/918196289.db2.gz	CUXYWZKAEBBXSO-UHFFFAOYSA-N	1	0	361.515	1.757	20	30		FDEDRO
Cc1c(C(=O)N2CC[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)[C@H]3C2)nnn1C	ZINC001084910443	918237401	/nfs/dbraw/zinc/23/74/01/918237401.db2.gz	CWACLVRSSBRDNH-MSOLQXFVSA-N	1	0	364.453	1.732	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cc[nH]c4C)C[C@@H]32)C1=O	ZINC001084916000	918292360	/nfs/dbraw/zinc/29/23/60/918292360.db2.gz	BOHUYZXSOKXOGB-SZMVWBNQSA-N	1	0	356.470	1.646	20	30		FDEDRO
Cc1noc(CCC[N@@H+]2CC[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]32)n1	ZINC001084925642	918360733	/nfs/dbraw/zinc/36/07/33/918360733.db2.gz	NIQFZAWXRCNMFA-PBHICJAKSA-N	1	0	368.441	1.747	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](C[C@@H]4CCc5ncnn54)[C@H]3C2)[nH]1	ZINC001084921867	918364344	/nfs/dbraw/zinc/36/43/44/918364344.db2.gz	ZKFNJAKUCAXBBJ-KMFMINBZSA-N	1	0	365.441	1.202	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)/C=C/c4ccc[nH]4)C[C@@H]32)C1=O	ZINC001084928609	918425080	/nfs/dbraw/zinc/42/50/80/918425080.db2.gz	VUMCKBOGOOFQLW-VYPWOACLSA-N	1	0	368.481	1.738	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)C[C@@H]21	ZINC001084939081	918600049	/nfs/dbraw/zinc/60/00/49/918600049.db2.gz	RGVAKTWHULQIQK-VYDXJSESSA-N	1	0	357.458	1.262	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CCN3CCNC3=O)[C@H]2C1	ZINC001084948974	918673573	/nfs/dbraw/zinc/67/35/73/918673573.db2.gz	OREIRLWBSJEBEL-CABCVRRESA-N	1	0	368.909	1.713	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(Br)n[nH]3)C[C@@H]21	ZINC001084951044	918702289	/nfs/dbraw/zinc/70/22/89/918702289.db2.gz	UZSRMBQMDDKGMR-YPMHNXCESA-N	1	0	351.248	1.732	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CC[N@H+](C)C2)c1	ZINC000731895985	918764528	/nfs/dbraw/zinc/76/45/28/918764528.db2.gz	FGGNMFSPQZPWAJ-KMJMQOOCSA-N	1	0	364.471	1.390	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnc4ccccn4c3=O)C[C@@H]21	ZINC001084973403	918990674	/nfs/dbraw/zinc/99/06/74/918990674.db2.gz	ODEFGHYWXVKJED-WBVHZDCISA-N	1	0	352.438	1.807	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnc4sccn4c3=O)C[C@@H]21	ZINC001084983620	919199345	/nfs/dbraw/zinc/19/93/45/919199345.db2.gz	DBDSTILPNLMRIC-HIFRSBDPSA-N	1	0	358.467	1.869	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CCNC4=O)C[C@@H]32)s1	ZINC001085005041	919503789	/nfs/dbraw/zinc/50/37/89/919503789.db2.gz	CZGATAPXXYFYOC-WQVCFCJDSA-N	1	0	358.467	1.179	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](C[C@H]3CCS(=O)(=O)C3)[C@H]2C1	ZINC001085006295	919570323	/nfs/dbraw/zinc/57/03/23/919570323.db2.gz	LAQAYECKIVYDIF-OAGGEKHMSA-N	1	0	354.516	1.556	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3nccnc3C)[C@H]2C1	ZINC001085037926	919965763	/nfs/dbraw/zinc/96/57/63/919965763.db2.gz	LDNLBUYFUYHGPK-FPAYPSAMSA-N	1	0	356.470	1.799	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3c(=O)[nH]c4ccccc43)C[C@@H]21	ZINC001085043215	920020746	/nfs/dbraw/zinc/02/07/46/920020746.db2.gz	KOXSFDURTNJNMN-QAPCUYQASA-N	1	0	352.438	1.688	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cncc(N4CCCC4)n3)C[C@@H]21	ZINC001085049840	920139327	/nfs/dbraw/zinc/13/93/27/920139327.db2.gz	DEPCQDWTTYYPRH-AEFFLSMTSA-N	1	0	353.470	1.637	20	30		FDEDRO
C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000732810670	920158796	/nfs/dbraw/zinc/15/87/96/920158796.db2.gz	NXRVWCQIAPMCMP-HIFRSBDPSA-N	1	0	371.359	1.393	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCc3ccnn3C)[C@H]2C1	ZINC001085054690	920169101	/nfs/dbraw/zinc/16/91/01/920169101.db2.gz	PHDHZRHNTUTRIH-GTAWCEEGSA-N	1	0	372.513	1.867	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)c4ccccc43)C[C@@H]21	ZINC001085060284	920250660	/nfs/dbraw/zinc/25/06/60/920250660.db2.gz	QCKAJGGXDOTFJS-MNEFBYGVSA-N	1	0	351.450	1.807	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3c(=O)oc4ccccc43)C[C@@H]21	ZINC001085090911	920775045	/nfs/dbraw/zinc/77/50/45/920775045.db2.gz	PIUZOSOPWLNZNL-WBVHZDCISA-N	1	0	353.422	1.541	20	30		FDEDRO
CN1CCOC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001085175135	921997722	/nfs/dbraw/zinc/99/77/22/921997722.db2.gz	FXOYOBYJALNZHV-ZACQAIPSSA-N	1	0	362.499	1.467	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(C#N)c2)C1=O	ZINC001085176828	922008140	/nfs/dbraw/zinc/00/81/40/922008140.db2.gz	YJYHSNSXDQZQIL-BRWVUGGUSA-N	1	0	355.442	1.304	20	30		FDEDRO
Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(F)c(C#N)c2)nn1	ZINC001085189644	922149759	/nfs/dbraw/zinc/14/97/59/922149759.db2.gz	LSKUEHCYEWPOST-HZPDHXFCSA-N	1	0	356.405	1.657	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001066023482	922528528	/nfs/dbraw/zinc/52/85/28/922528528.db2.gz	YWDGMZYNNYIHLS-KZNAEPCWSA-N	1	0	365.518	1.807	20	30		FDEDRO
C#CCOCCC(=O)N1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1	ZINC001066218492	922615724	/nfs/dbraw/zinc/61/57/24/922615724.db2.gz	HKAKNUDUZAPEPZ-FGTMMUONSA-N	1	0	363.502	1.254	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCN(C)C1=O	ZINC001085225459	922915458	/nfs/dbraw/zinc/91/54/58/922915458.db2.gz	XAQVXVKVHNVGJI-ZACQAIPSSA-N	1	0	358.486	1.926	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[C@@H]2CCNC2=O)c1	ZINC001085223256	922934110	/nfs/dbraw/zinc/93/41/10/922934110.db2.gz	CYONQWIAWIIEJW-RCCFBDPRSA-N	1	0	354.454	1.601	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000734162969	922998743	/nfs/dbraw/zinc/99/87/43/922998743.db2.gz	ROTSZABUTCQOAE-IAGOWNOFSA-N	1	0	359.470	1.997	20	30		FDEDRO
C[C@H]1CC(N=Nc2nc3[nH][nH]cc-3c(=O)n2)CC[N@@H+]1Cc1ccccc1	ZINC000734299824	923205562	/nfs/dbraw/zinc/20/55/62/923205562.db2.gz	VWZVHDCCRFSCRC-LBPRGKRZSA-N	1	0	351.414	1.884	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCC(=O)NC2)c1	ZINC001085253861	923219505	/nfs/dbraw/zinc/21/95/05/923219505.db2.gz	JAKPYCVQOBTWNP-KZNAEPCWSA-N	1	0	354.454	1.601	20	30		FDEDRO
CN1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)NC1=O	ZINC001085297797	923634785	/nfs/dbraw/zinc/63/47/85/923634785.db2.gz	SLPJDCKCGZTAAP-BRWVUGGUSA-N	1	0	355.442	1.099	20	30		FDEDRO
C[C@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)s2)CCNC1=O	ZINC001085330313	923926623	/nfs/dbraw/zinc/92/66/23/923926623.db2.gz	ZSASJCPPFOSPBT-RKVPGOIHSA-N	1	0	360.483	1.663	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(C)ncn2)nn1	ZINC001085357216	924185566	/nfs/dbraw/zinc/18/55/66/924185566.db2.gz	JDOUVAAUZVKKEM-HZPDHXFCSA-N	1	0	355.446	1.393	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnc(C)nc2C)C1=O	ZINC001085366880	924260866	/nfs/dbraw/zinc/26/08/66/924260866.db2.gz	HPZVNQMQANJBOS-KURKYZTESA-N	1	0	371.485	1.511	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H](C)c2nnc(C)[nH]2)cn1	ZINC001085399098	924450832	/nfs/dbraw/zinc/45/08/32/924450832.db2.gz	QVKHMYWRPNEALZ-JCURWCKSSA-N	1	0	352.442	1.881	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc(C)n2CC)cn1	ZINC001085399250	924451939	/nfs/dbraw/zinc/45/19/39/924451939.db2.gz	YRYIDVAGPSZGLY-QZTJIDSGSA-N	1	0	366.469	1.814	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnn(C)c1OC	ZINC001085407724	924516045	/nfs/dbraw/zinc/51/60/45/924516045.db2.gz	SWXKNKQKGCTPCV-CHWSQXEVSA-N	1	0	371.279	1.968	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)CC1	ZINC000735939303	924686990	/nfs/dbraw/zinc/68/69/90/924686990.db2.gz	CQZXJHMQQCBLOR-ZDUSSCGKSA-N	1	0	358.394	1.631	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[C@H]2CC(=O)NC2=O)cc1	ZINC001085441839	924735844	/nfs/dbraw/zinc/73/58/44/924735844.db2.gz	QWDMCOBOUGMQDR-GVDBMIGSSA-N	1	0	368.437	1.128	20	30		FDEDRO
C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CCCC[C@H]2[C@@H](C)CC)c1=O	ZINC000738058875	925097002	/nfs/dbraw/zinc/09/70/02/925097002.db2.gz	WKWSPCPKQCMPOU-HOTGVXAUSA-N	1	0	362.474	1.402	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC001085867847	925340978	/nfs/dbraw/zinc/34/09/78/925340978.db2.gz	XIYADFAIUOBEGX-ZIFCJYIRSA-N	1	0	356.470	1.710	20	30		FDEDRO
N#CCOc1cccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1	ZINC000740512304	925404826	/nfs/dbraw/zinc/40/48/26/925404826.db2.gz	GMUNBVUXOGUPIQ-OAHLLOKOSA-N	1	0	356.426	1.472	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1	ZINC000740736500	925420117	/nfs/dbraw/zinc/42/01/17/925420117.db2.gz	XAGMQZGUXIZMMM-UHFFFAOYSA-N	1	0	359.382	1.584	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2nn(-c3ccccc3)c(C)cc2=O)CC1	ZINC000740736281	925420135	/nfs/dbraw/zinc/42/01/35/925420135.db2.gz	MOVGFWBUMHCJFK-UHFFFAOYSA-N	1	0	364.449	1.758	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)CC1	ZINC000740737893	925421601	/nfs/dbraw/zinc/42/16/01/925421601.db2.gz	MKFGPQMFKJJUGF-UHFFFAOYSA-N	1	0	352.438	1.872	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)nn2)C1	ZINC001086089135	925944593	/nfs/dbraw/zinc/94/45/93/925944593.db2.gz	JKYSLABKIKFTEE-XBVQOTNRSA-N	1	0	360.458	1.451	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1	ZINC000742391260	926039266	/nfs/dbraw/zinc/03/92/66/926039266.db2.gz	FMCIMKFDLZNMNL-IYOUNJFTSA-N	1	0	353.426	1.995	20	30		FDEDRO
Cc1cc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)ccc1-n1cncn1	ZINC000742371002	926041314	/nfs/dbraw/zinc/04/13/14/926041314.db2.gz	DYJHRHKHXANJIW-ZCXUNETKSA-N	1	0	352.398	1.192	20	30		FDEDRO
N#Cc1ccccc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1	ZINC001086157652	926182162	/nfs/dbraw/zinc/18/21/62/926182162.db2.gz	YQOIIQAYKNDRIA-LXPIXPORSA-N	1	0	369.465	1.594	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NC)cc2)C1	ZINC001086201929	926284572	/nfs/dbraw/zinc/28/45/72/926284572.db2.gz	ZFOCXWJOZWRRLP-LULLPPNCSA-N	1	0	371.481	1.622	20	30		FDEDRO
C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CCC[C@@H](C)[C@H]2CCC)c1=O	ZINC000743380147	926352142	/nfs/dbraw/zinc/35/21/42/926352142.db2.gz	FYUHSNIIGFSCBA-HZPDHXFCSA-N	1	0	362.474	1.402	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)CC1	ZINC000743490709	926377355	/nfs/dbraw/zinc/37/73/55/926377355.db2.gz	VIHUEGBEMVNSLR-HXUWFJFHSA-N	1	0	373.472	1.803	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)C[C@](O)(c2nccn2C)C(F)(F)F)CC1	ZINC000743490432	926378408	/nfs/dbraw/zinc/37/84/08/926378408.db2.gz	PRAVPCUERVKCBM-INIZCTEOSA-N	1	0	372.391	1.164	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CC1	ZINC000743491403	926378643	/nfs/dbraw/zinc/37/86/43/926378643.db2.gz	GZYDRJKDYZMMIR-QGZVFWFLSA-N	1	0	367.449	1.109	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2nnn(-c3ccc(OC)cc3)c2C)CC1	ZINC000743492680	926378965	/nfs/dbraw/zinc/37/89/65/926378965.db2.gz	ZCQFABLOBCLSIR-UHFFFAOYSA-N	1	0	367.453	1.802	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)COc2cccc(N3CCCC3=O)c2)CC1	ZINC000743492852	926379237	/nfs/dbraw/zinc/37/92/37/926379237.db2.gz	APDFDRCAPSWZES-UHFFFAOYSA-N	1	0	369.465	1.796	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1	ZINC000743952923	926515228	/nfs/dbraw/zinc/51/52/28/926515228.db2.gz	YBIRPJOQLCJODC-QGZVFWFLSA-N	1	0	369.465	1.972	20	30		FDEDRO
C[C@H]1CCCCN1C(=O)CO[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1	ZINC000744442862	926686450	/nfs/dbraw/zinc/68/64/50/926686450.db2.gz	NAHRLRDPFPXUBV-HNNXBMFYSA-N	1	0	374.485	1.686	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H](NC(=O)CC[NH+](C)C)CC1	ZINC001066497791	926709050	/nfs/dbraw/zinc/70/90/50/926709050.db2.gz	SJKKHIDRAFOPMD-BBWFWOEESA-N	1	0	351.491	1.417	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(C(N)=O)c2)C1	ZINC001086369203	926862449	/nfs/dbraw/zinc/86/24/49/926862449.db2.gz	WEAGTKPDDRTSIZ-OWYHZJEWSA-N	1	0	371.481	1.751	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCc2ccnn2C)C1	ZINC001086500461	927663428	/nfs/dbraw/zinc/66/34/28/927663428.db2.gz	CNHJGXIOXGLJQI-CAMMJAKZSA-N	1	0	360.502	1.818	20	30		FDEDRO
C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NCCNc2ccc(C#N)cn2)C1	ZINC000746414350	927956855	/nfs/dbraw/zinc/95/68/55/927956855.db2.gz	CITLVWSJUNLKHB-QGZVFWFLSA-N	1	0	356.474	1.738	20	30		FDEDRO
C=CCN1CCN(C)C2(CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)C1=O	ZINC001169023570	928247869	/nfs/dbraw/zinc/24/78/69/928247869.db2.gz	PBTWTOHEGUQBRJ-HOTGVXAUSA-N	1	0	350.463	1.226	20	30		FDEDRO
CCC[N@H+](CCC#N)[C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC001169202782	928336350	/nfs/dbraw/zinc/33/63/50/928336350.db2.gz	QRHLDKFZCAOHRK-HNNXBMFYSA-N	1	0	374.489	1.618	20	30		FDEDRO
CC(=O)N1CC[C@@H]([N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)C1	ZINC001169544864	928758426	/nfs/dbraw/zinc/75/84/26/928758426.db2.gz	HZMUREZUPPANBI-UYAOXDASSA-N	1	0	352.438	1.608	20	30		FDEDRO
COc1ccc(C(=NO)Nc2nc(C)cc(OC3CC[NH2+]CC3)n2)nc1	ZINC001169599646	928772341	/nfs/dbraw/zinc/77/23/41/928772341.db2.gz	DBUSNIOQXDSSHL-UHFFFAOYSA-N	1	0	358.402	1.567	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCCCCC)C2)C1	ZINC001108575278	928944835	/nfs/dbraw/zinc/94/48/35/928944835.db2.gz	BDDYXKWTKKTSPW-JQHSSLGASA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cnoc2C2CC2)[C@@H](n2ccnn2)C1	ZINC001129359978	929135136	/nfs/dbraw/zinc/13/51/36/929135136.db2.gz	QOWFSPCEUHZIFH-CVEARBPZSA-N	1	0	356.430	1.765	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cccn2)[C@@H](n2ccnn2)C1	ZINC001129375854	929626071	/nfs/dbraw/zinc/62/60/71/929626071.db2.gz	KQBBESJTRGPQRR-ZACQAIPSSA-N	1	0	357.462	1.434	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](OCC)C1CCOCC1)C2	ZINC001109568579	929775666	/nfs/dbraw/zinc/77/56/66/929775666.db2.gz	XOSJLNFVFVJHOK-YDZRNGNQSA-N	1	0	366.502	1.742	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]([C@@H](O)c3nccn3C)C2)CC1	ZINC000770022059	929803737	/nfs/dbraw/zinc/80/37/37/929803737.db2.gz	ZRIUKHHULSNCLD-NVXWUHKLSA-N	1	0	361.490	1.526	20	30		FDEDRO
C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC[NH+]1CCCCC1	ZINC000770404806	930002095	/nfs/dbraw/zinc/00/20/95/930002095.db2.gz	QSIJJCXMKWMCNX-AWEZNQCLSA-N	1	0	365.455	1.254	20	30		FDEDRO
Cc1cccc(N2CC[NH+](CCC(=O)Nc3cnn(CC#N)c3)CC2)c1	ZINC000746184617	930365492	/nfs/dbraw/zinc/36/54/92/930365492.db2.gz	XFAZHEBXRHNQKJ-UHFFFAOYSA-N	1	0	352.442	1.866	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2	ZINC001109799046	930439908	/nfs/dbraw/zinc/43/99/08/930439908.db2.gz	GMIDPTXILRQOIJ-BGTYHANMSA-N	1	0	362.518	1.131	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCOC(C)C	ZINC001109805673	930497426	/nfs/dbraw/zinc/49/74/26/930497426.db2.gz	GGIROEFDHQNCMY-XWSJACJDSA-N	1	0	365.518	1.994	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c(F)c1	ZINC000771219047	930543315	/nfs/dbraw/zinc/54/33/15/930543315.db2.gz	DQJBIXMWQSVFQV-HNNXBMFYSA-N	1	0	374.416	1.395	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2	ZINC001109865217	930637146	/nfs/dbraw/zinc/63/71/46/930637146.db2.gz	KNOITPIUDVGUEG-SQNIBIBYSA-N	1	0	364.534	1.474	20	30		FDEDRO
C[C@@H]1C[N@H+](CCC(=O)N(C)CCC#N)CC[C@@H]1NC(=O)OC(C)(C)C	ZINC000771447106	930681064	/nfs/dbraw/zinc/68/10/64/930681064.db2.gz	LCJZUKADOHBLEQ-CABCVRRESA-N	1	0	352.479	1.984	20	30		FDEDRO
C#CCC[NH2+][C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1	ZINC001170027335	930688400	/nfs/dbraw/zinc/68/84/00/930688400.db2.gz	RAUFBEQELDBYOT-KBPBESRZSA-N	1	0	353.488	1.510	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c(C)cc(C)nc1=O)C2	ZINC001109888345	930689498	/nfs/dbraw/zinc/68/94/98/930689498.db2.gz	AMUJPWYFJIPYFD-RANZSIQMSA-N	1	0	358.486	1.936	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(C)c1C(F)F)C2	ZINC001109961735	930893878	/nfs/dbraw/zinc/89/38/78/930893878.db2.gz	HBSUAOJUYCZABJ-XBFCOCLRSA-N	1	0	354.401	1.895	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)C2	ZINC001109973872	930953971	/nfs/dbraw/zinc/95/39/71/930953971.db2.gz	ZJDUFEDPHRGVQD-CXTNEJHOSA-N	1	0	356.430	1.107	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)N(C)Cc2ccccc2OC)CC1	ZINC000772113501	931080659	/nfs/dbraw/zinc/08/06/59/931080659.db2.gz	HWNLLVKBWLVYND-UHFFFAOYSA-N	1	0	358.438	1.542	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)NCCO[C@H]2CCCC[C@H]2C)CC1	ZINC000772122116	931087355	/nfs/dbraw/zinc/08/73/55/931087355.db2.gz	QKPRBEPLMSTWRO-AEFFLSMTSA-N	1	0	364.486	1.586	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)NCc2cccc(OC)c2)CC1	ZINC000772124299	931088673	/nfs/dbraw/zinc/08/86/73/931088673.db2.gz	WGMYONWBQORQHL-HNNXBMFYSA-N	1	0	358.438	1.588	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)Cc2cc[nH]c(=O)c2Br)CC1	ZINC000772300642	931184772	/nfs/dbraw/zinc/18/47/72/931184772.db2.gz	QKJLTRVBVWZTKR-UHFFFAOYSA-N	1	0	366.259	1.696	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)Cc1ccccc1)C2	ZINC001110068435	931352411	/nfs/dbraw/zinc/35/24/11/931352411.db2.gz	CPGYSCKCMXKWRV-QYZOEREBSA-N	1	0	371.481	1.269	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(=O)N1CCOCC1)C2	ZINC001110070143	931361176	/nfs/dbraw/zinc/36/11/76/931361176.db2.gz	MKHVPKZEKBVUDT-BDXSIMOUSA-N	1	0	363.502	1.702	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cnnn3)cc1)C2	ZINC001110073175	931380824	/nfs/dbraw/zinc/38/08/24/931380824.db2.gz	JTOZZGUUZIBPNP-SQNIBIBYSA-N	1	0	368.441	1.200	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nccnc1C(N)=O)C2	ZINC001110076297	931405920	/nfs/dbraw/zinc/40/59/20/931405920.db2.gz	QMCSEMKEOSFOSQ-ILXRZTDVSA-N	1	0	357.458	1.657	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCO1	ZINC000785539261	931444346	/nfs/dbraw/zinc/44/43/46/931444346.db2.gz	JCVDNWNBUOXQAM-RBUKOAKNSA-N	1	0	369.465	1.196	20	30		FDEDRO
O=C(c1cnon1)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#Cc2ccccc2)C1	ZINC001112548567	931472579	/nfs/dbraw/zinc/47/25/79/931472579.db2.gz	GPDQKKILWCCZKO-PXNSSMCTSA-N	1	0	350.422	1.953	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1c(C)cc(C)nc1=O)C2	ZINC001112552068	931528264	/nfs/dbraw/zinc/52/82/64/931528264.db2.gz	FGRMUIVKFLBSPW-PXNSSMCTSA-N	1	0	356.470	1.102	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCCCOC)C2	ZINC001112559803	931565362	/nfs/dbraw/zinc/56/53/62/931565362.db2.gz	QBYAQLZRETWFRP-HKUYNNGSSA-N	1	0	354.491	1.460	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CCCS(=O)(=O)C1)C2	ZINC001112558421	931578444	/nfs/dbraw/zinc/57/84/44/931578444.db2.gz	GKJPRAGQIOGUGJ-LNLFQRSKSA-N	1	0	368.543	1.996	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn([C@H]3CCOC3)nn1)C2	ZINC001112558564	931578814	/nfs/dbraw/zinc/57/88/14/931578814.db2.gz	NDTLARYGYNSYSZ-BXWFABGCSA-N	1	0	359.474	1.648	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(C(=O)NC)nc1)C2	ZINC001112564690	931608621	/nfs/dbraw/zinc/60/86/21/931608621.db2.gz	JSMVXGGBXJKOTE-JXFKEZNVSA-N	1	0	356.470	1.849	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCC(=O)N(C)C)C2	ZINC001112565097	931610777	/nfs/dbraw/zinc/61/07/77/931610777.db2.gz	KLCYNNJUOLSACC-PXNSSMCTSA-N	1	0	363.502	1.113	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@H](C)C(=O)N(C)C)C2)nc1	ZINC001112565443	931613589	/nfs/dbraw/zinc/61/35/89/931613589.db2.gz	CBQUWGQQYKRCEM-KUDFPVQQSA-N	1	0	368.481	1.372	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccnc1C(N)=O)C2	ZINC001112583166	931753628	/nfs/dbraw/zinc/75/36/28/931753628.db2.gz	HHTJDWJCNKYPBP-YWZLYKJASA-N	1	0	356.470	1.979	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(C)(C)C)C1	ZINC001112588820	931798351	/nfs/dbraw/zinc/79/83/51/931798351.db2.gz	XGHZQSZCDVEDEH-JXFKEZNVSA-N	1	0	365.518	1.712	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2csnn2)C1	ZINC001112589106	931801761	/nfs/dbraw/zinc/80/17/61/931801761.db2.gz	LMVBQBPUTVZVMI-ZQIUZPCESA-N	1	0	350.488	1.848	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc(C(N)=O)n1)C2	ZINC001112587553	931812463	/nfs/dbraw/zinc/81/24/63/931812463.db2.gz	CZMPIRGGQIBVMI-UGSOOPFHSA-N	1	0	362.861	1.765	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCOC(C)C)C2	ZINC001112591147	931819408	/nfs/dbraw/zinc/81/94/08/931819408.db2.gz	MCQWTHZGAGUHLS-PXNSSMCTSA-N	1	0	363.502	1.159	20	30		FDEDRO
CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCC2)C1	ZINC000786785602	932033824	/nfs/dbraw/zinc/03/38/24/932033824.db2.gz	PAKAGPPYLCCXFG-ZNMIVQPWSA-N	1	0	350.463	1.784	20	30		FDEDRO
N#Cc1ncncc1N(CC[NH3+])S(=O)(=O)c1cccc2cnccc21	ZINC001170073286	932289864	/nfs/dbraw/zinc/28/98/64/932289864.db2.gz	IDIFJSNRDNHUKJ-UHFFFAOYSA-N	1	0	354.395	1.050	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CCCO1	ZINC000787752819	932388217	/nfs/dbraw/zinc/38/82/17/932388217.db2.gz	VQLCYNGHQVUSDS-FHWLQOOXSA-N	1	0	369.465	1.237	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N(CC)CCC[NH+]2CCCC2)cc1	ZINC000788346059	932656538	/nfs/dbraw/zinc/65/65/38/932656538.db2.gz	XCLDQXMEEVAPDV-UHFFFAOYSA-N	1	0	357.454	1.972	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(C[NH+](C)C)cc2)c1	ZINC000788596611	932750447	/nfs/dbraw/zinc/75/04/47/932750447.db2.gz	UNLKQZXYOPTCSM-UHFFFAOYSA-N	1	0	371.462	1.647	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2	ZINC000788766797	932801386	/nfs/dbraw/zinc/80/13/86/932801386.db2.gz	VASUQCXHMUUVKP-HNNXBMFYSA-N	1	0	364.490	1.937	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C)[C@H]1CCCO1	ZINC000789744184	933174929	/nfs/dbraw/zinc/17/49/29/933174929.db2.gz	OJDHPLKKGCRIKU-BHYGNILZSA-N	1	0	371.437	1.307	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H](CCC)CCCS(C)(=O)=O)CC1	ZINC000789961626	933269884	/nfs/dbraw/zinc/26/98/84/933269884.db2.gz	LFCHHSBOCJGNOS-INIZCTEOSA-N	1	0	356.532	1.831	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc(C3CC3)nn2)C1	ZINC001086592472	933804948	/nfs/dbraw/zinc/80/49/48/933804948.db2.gz	OMBSPSVUFGOPJU-AZUAARDMSA-N	1	0	363.465	1.763	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn(C)nc2COC)C1	ZINC001086595993	933926707	/nfs/dbraw/zinc/92/67/07/933926707.db2.gz	FMQBGSALHBQVRP-PKOBYXMFSA-N	1	0	366.465	1.788	20	30		FDEDRO
C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCc1cc(C#N)ccc1F	ZINC000793913981	938337814	/nfs/dbraw/zinc/33/78/14/938337814.db2.gz	RUBCGTPVXWBUET-ZNMIVQPWSA-N	1	0	374.460	1.796	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC/C=C/CC)C[C@@H]2n2ccnn2)nc1	ZINC001129393905	938401381	/nfs/dbraw/zinc/40/13/81/938401381.db2.gz	WTPCWQZWRDOUDT-YSKLNCTFSA-N	1	0	364.453	1.666	20	30		FDEDRO
C#CCN1C[C@@H](NC(=O)COC[C@@H](C)c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129412786	938408048	/nfs/dbraw/zinc/40/80/48/938408048.db2.gz	WZHCOMCTXSEQCF-QRQLOZEOSA-N	1	0	367.453	1.073	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CCCOc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129417210	938409387	/nfs/dbraw/zinc/40/93/87/938409387.db2.gz	BSWJNZNTABMBPY-MOPGFXCFSA-N	1	0	367.453	1.502	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)Oc2ccc(C)cc2)[C@@H](n2ccnn2)C1	ZINC001129418278	938409660	/nfs/dbraw/zinc/40/96/60/938409660.db2.gz	PRDLWHYSTUPMHJ-UHOSZYNNSA-N	1	0	369.469	1.972	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)Cc2cccc(F)c2)[C@@H](n2ccnn2)C1	ZINC001129421634	938411413	/nfs/dbraw/zinc/41/14/13/938411413.db2.gz	BLELNMXJKDKYTG-MSOLQXFVSA-N	1	0	357.433	1.968	20	30		FDEDRO
C=C[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1n1ccnn1)c1ccccc1	ZINC001129448830	938419186	/nfs/dbraw/zinc/41/91/86/938419186.db2.gz	AIZCASCMOQNXTG-QRVBRYPASA-N	1	0	351.454	1.999	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](CC)c2ccc(F)cc2)[C@@H](n2ccnn2)C1	ZINC001129470499	938430384	/nfs/dbraw/zinc/43/03/84/938430384.db2.gz	JOVWXPPHUMVHDR-QRVBRYPASA-N	1	0	369.444	1.976	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2C2CC2)[C@@H](n2ccnn2)C1	ZINC001129490778	938442369	/nfs/dbraw/zinc/44/23/69/938442369.db2.gz	NSIFPFBAHJQRBD-SJORKVTESA-N	1	0	369.473	1.511	20	30		FDEDRO
C#CCNc1nc(NC[C@](C)(O)C2CC2)[nH+]c(NC[C@](C)(O)C2CC2)n1	ZINC000804448965	938444021	/nfs/dbraw/zinc/44/40/21/938444021.db2.gz	VOBQKLLHTADKGY-ROUUACIJSA-N	1	0	360.462	1.063	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)Cc2cccc(F)c2)[C@@H](n2ccnn2)C1	ZINC001129496099	938444145	/nfs/dbraw/zinc/44/41/45/938444145.db2.gz	FDYPZHCVELORDO-LZQZEXGQSA-N	1	0	369.444	1.661	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)C2=COCCO2)C[C@@H]1n1ccnn1	ZINC001129547431	938451168	/nfs/dbraw/zinc/45/11/68/938451168.db2.gz	CMWWFGWCCKJJJZ-CVEARBPZSA-N	1	0	363.462	1.478	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnc(C)cn2)C[C@@H]1n1ccnn1	ZINC001129536772	938453726	/nfs/dbraw/zinc/45/37/26/938453726.db2.gz	JPHAAASACIZQBO-XKQJLSEDSA-N	1	0	355.446	1.387	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccc(C)n2C)C[C@@H]1n1ccnn1	ZINC001129573919	938459145	/nfs/dbraw/zinc/45/91/45/938459145.db2.gz	ZLZAKZXBUAKZNR-LESCRADOSA-N	1	0	356.474	1.935	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2CCCCCC2)C[C@@H]1n1ccnn1	ZINC001129659692	938477376	/nfs/dbraw/zinc/47/73/76/938477376.db2.gz	QHBTUFPEEGOIQM-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]C[C@@H](OC)C2CCCC2)[C@@H](n2ccnn2)C1	ZINC001129670965	938479332	/nfs/dbraw/zinc/47/93/32/938479332.db2.gz	CJXQRCGXENJLFW-FGTMMUONSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C(C)=C2CCCC2)C[C@@H]1n1ccnn1	ZINC001129732629	938496301	/nfs/dbraw/zinc/49/63/01/938496301.db2.gz	DBJBYPNRXACHCI-MSOLQXFVSA-N	1	0	359.474	1.713	20	30		FDEDRO
CCC(CC)C[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1n1ccnn1	ZINC001129737969	938497752	/nfs/dbraw/zinc/49/77/52/938497752.db2.gz	YHXXSIHHVCSKTR-SJORKVTESA-N	1	0	355.446	1.569	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H]([NH2+]Cc2cn(C)nc2C)[C@@H](n2ccnn2)C1	ZINC001129757034	938502078	/nfs/dbraw/zinc/50/20/78/938502078.db2.gz	RYRNZHPFHOYHST-MSOLQXFVSA-N	1	0	369.473	1.055	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C)cc2)[C@@H](n2ccnn2)C1	ZINC001129795707	938509206	/nfs/dbraw/zinc/50/92/06/938509206.db2.gz	MZBLFAIQIDFKAQ-MOPGFXCFSA-N	1	0	351.454	1.932	20	30		FDEDRO
N#Cc1ccc(C(=O)N2C[C@@H]([NH2+]CCCCCF)[C@@H](n3ccnn3)C2)[nH]1	ZINC001129778112	938513596	/nfs/dbraw/zinc/51/35/96/938513596.db2.gz	NQBNEACIEPPLAL-CVEARBPZSA-N	1	0	359.409	1.273	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1	ZINC001129779135	938514350	/nfs/dbraw/zinc/51/43/50/938514350.db2.gz	GGTPPJFYUCMZEW-JQHSSLGASA-N	1	0	359.470	1.551	20	30		FDEDRO
Cc1cc(F)ccc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1n1ccnn1	ZINC001129825298	938523287	/nfs/dbraw/zinc/52/32/87/938523287.db2.gz	RKPPQDYGIXFGJJ-MOPGFXCFSA-N	1	0	369.444	1.927	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3n[nH]cc32)C[C@@H]1n1ccnn1	ZINC001129844754	938525366	/nfs/dbraw/zinc/52/53/66/938525366.db2.gz	JBVAZWWAMNEDDI-OLMNPRSZSA-N	1	0	369.473	1.429	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc3scnc32)C[C@@H]1n1ccnn1	ZINC001129846098	938525977	/nfs/dbraw/zinc/52/59/77/938525977.db2.gz	WXAWNMWKWYYEMC-CABCVRRESA-N	1	0	366.450	1.566	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H](OCC)C2=CCCC2)C[C@@H]1n1ccnn1	ZINC001129850324	938527393	/nfs/dbraw/zinc/52/73/93/938527393.db2.gz	XVUKSBGSDWAKLX-FGTMMUONSA-N	1	0	359.474	1.711	20	30		FDEDRO
N#Cc1cccc(C[NH2+]CCNC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)c1	ZINC001129856521	938529320	/nfs/dbraw/zinc/52/93/20/938529320.db2.gz	SHBYTYIXXOGOKM-WOJBJXKFSA-N	1	0	365.433	1.921	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3cn[nH]c32)C[C@@H]1n1ccnn1	ZINC001129857818	938529551	/nfs/dbraw/zinc/52/95/51/938529551.db2.gz	FXFYMJJOKLUQRF-ZACQAIPSSA-N	1	0	369.473	1.429	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C[C@H]2Cc3ccccc3O2)C[C@@H]1n1ccnn1	ZINC001129864140	938531963	/nfs/dbraw/zinc/53/19/63/938531963.db2.gz	QLRKNLUMHWZNRN-KURKYZTESA-N	1	0	367.453	1.590	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(CC)ccn2)C[C@@H]1n1ccnn1	ZINC001129864038	938531983	/nfs/dbraw/zinc/53/19/83/938531983.db2.gz	OHNJHPZTEOEIIX-MSOLQXFVSA-N	1	0	354.458	1.857	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCN2C(C)=O)C1	ZINC001086625643	938532936	/nfs/dbraw/zinc/53/29/36/938532936.db2.gz	OXYLUNMSDQLWIB-XUVXKRRUSA-N	1	0	353.466	1.605	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCCCOCCC=C)C[C@@H]1n1ccnn1	ZINC001129838420	938535558	/nfs/dbraw/zinc/53/55/58/938535558.db2.gz	WZAZYOQRXLQSDU-MSOLQXFVSA-N	1	0	359.474	1.406	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@@H](OCC)C(=C)C)C[C@@H]1n1ccnn1	ZINC001129878767	938536071	/nfs/dbraw/zinc/53/60/71/938536071.db2.gz	DJYTXNPBSLODPD-FGTMMUONSA-N	1	0	361.490	1.957	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H]([NH2+]Cc2cnn(C)c2)[C@@H](n2ccnn2)C1	ZINC001129874804	938545854	/nfs/dbraw/zinc/54/58/54/938545854.db2.gz	PVMWNTPKRRFYOY-CVEARBPZSA-N	1	0	357.462	1.156	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccn(C3CCCC3)n2)C[C@@H]1n1ccnn1	ZINC001129876542	938547069	/nfs/dbraw/zinc/54/70/69/938547069.db2.gz	RZONFQUBOGXEEW-MSOLQXFVSA-N	1	0	367.457	1.268	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C/C=C/c2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001129907261	938549265	/nfs/dbraw/zinc/54/92/65/938549265.db2.gz	ZGRRBHVSMGGEIT-HKVCONOFSA-N	1	0	367.428	1.886	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH]ccc-3n2)C[C@@H]1n1ccnn1	ZINC001129910206	938549760	/nfs/dbraw/zinc/54/97/60/938549760.db2.gz	IFWYMJAYBQXTLZ-MSOLQXFVSA-N	1	0	365.441	1.776	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2ccncc2)C[C@@H]1n1ccnn1	ZINC001129910378	938549874	/nfs/dbraw/zinc/54/98/74/938549874.db2.gz	QFINIKVTTQQFGU-NXHRZFHOSA-N	1	0	354.458	1.785	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(OCC=C)cc2)C[C@@H]1n1ccnn1	ZINC001129912591	938551512	/nfs/dbraw/zinc/55/15/12/938551512.db2.gz	QOEAUVBWRYREAS-MOPGFXCFSA-N	1	0	365.437	1.522	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H]([NH2+]CC#CC)[C@@H](n3ccnn3)C2)cc1	ZINC001129912765	938551854	/nfs/dbraw/zinc/55/18/54/938551854.db2.gz	ZRRLALUGWNOSAW-MOPGFXCFSA-N	1	0	365.437	1.522	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccn3c2CCCC3)C[C@@H]1n1ccnn1	ZINC001129896208	938557389	/nfs/dbraw/zinc/55/73/89/938557389.db2.gz	SWLXPBMTTOCFLQ-AEFFLSMTSA-N	1	0	352.442	1.095	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C/C=C/c2cccc(F)c2)C[C@@H]1n1ccnn1	ZINC001129896393	938557594	/nfs/dbraw/zinc/55/75/94/938557594.db2.gz	YBLMUOMMZKWQEO-BJAZZSIWSA-N	1	0	367.428	1.886	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(C)cc(C)n2)C[C@@H]1n1ccnn1	ZINC001129920845	938568124	/nfs/dbraw/zinc/56/81/24/938568124.db2.gz	BKWOUNVCQNLMEV-MSOLQXFVSA-N	1	0	354.458	1.911	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3ccc(C)cc32)C[C@@H]1n1ccnn1	ZINC001129924600	938570244	/nfs/dbraw/zinc/57/02/44/938570244.db2.gz	BVGONOCDOQNKCQ-SJORKVTESA-N	1	0	365.441	1.694	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)nn2CC)C[C@@H]1n1ccnn1	ZINC001129925318	938570883	/nfs/dbraw/zinc/57/08/83/938570883.db2.gz	ZWUJACVNOFGSDX-AEFFLSMTSA-N	1	0	369.473	1.297	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCc2ccccc2C)C[C@@H]1n1ccnn1	ZINC001129949104	938573822	/nfs/dbraw/zinc/57/38/22/938573822.db2.gz	PEJNRJKFYQAIEC-QRQLOZEOSA-N	1	0	367.453	1.167	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(OC)ccn2)C[C@@H]1n1ccnn1	ZINC001129954262	938576359	/nfs/dbraw/zinc/57/63/59/938576359.db2.gz	FKDFOACDIHPVQH-SJORKVTESA-N	1	0	356.430	1.303	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC2(C)C)C[C@@H]1n1ccnn1	ZINC001129961166	938578355	/nfs/dbraw/zinc/57/83/55/938578355.db2.gz	BJVVVLWYJCEBIN-BBWFWOEESA-N	1	0	359.474	1.096	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H]([NH2+]C[C@H]2CCOC2)[C@@H](n2ccnn2)C1	ZINC001129964090	938579821	/nfs/dbraw/zinc/57/98/21/938579821.db2.gz	WHZFCMWWFXVBFA-KURKYZTESA-N	1	0	359.474	1.240	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cc(C)c(C)cn2)C[C@@H]1n1ccnn1	ZINC001129945362	938580779	/nfs/dbraw/zinc/58/07/79/938580779.db2.gz	KTHQRPNDBIIMJJ-MSOLQXFVSA-N	1	0	370.457	1.148	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3ncccc3s2)C[C@@H]1n1ccnn1	ZINC001129970307	938587973	/nfs/dbraw/zinc/58/79/73/938587973.db2.gz	IDFILNGAIWUVIZ-CABCVRRESA-N	1	0	366.450	1.566	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H]([NH2+]CC2CC(F)(F)C2)[C@@H](n2ccnn2)C1	ZINC001129972935	938591560	/nfs/dbraw/zinc/59/15/60/938591560.db2.gz	SQNFSYWXCSBBAI-CVEARBPZSA-N	1	0	365.428	1.859	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](CCC)c2ccccn2)C[C@@H]1n1ccnn1	ZINC001129983194	938597952	/nfs/dbraw/zinc/59/79/52/938597952.db2.gz	QXDIUFLFLVCDSK-QRQLOZEOSA-N	1	0	366.469	1.622	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(F)c(F)c2F)C[C@@H]1n1ccnn1	ZINC001129983275	938598078	/nfs/dbraw/zinc/59/80/78/938598078.db2.gz	VGADFORTQWEGRG-KGLIPLIRSA-N	1	0	363.343	1.374	20	30		FDEDRO
C#CC[C@H](Cc1ccccc1)NC(=O)NCCCC[NH+]1CCN(C)CC1	ZINC000804910478	938603908	/nfs/dbraw/zinc/60/39/08/938603908.db2.gz	BTTGRBZMICUPPG-HXUWFJFHSA-N	1	0	356.514	1.948	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]([NH2+]CC[C@H](C)F)[C@@H](n3ccnn3)C2)c1	ZINC001129997746	938605855	/nfs/dbraw/zinc/60/58/55/938605855.db2.gz	ZUQVRCUUCQQHDQ-XKQJLSEDSA-N	1	0	356.405	1.058	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H]([NH2+]CCCOCC)[C@@H](n3ccnn3)C2)CC1	ZINC001129999222	938606877	/nfs/dbraw/zinc/60/68/77/938606877.db2.gz	QZNIEMGRHSRCFI-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3nc[nH]c32)C[C@@H]1n1ccnn1	ZINC001130000892	938608368	/nfs/dbraw/zinc/60/83/68/938608368.db2.gz	VGXQQHQTNMKJHM-UAGQMJEPSA-N	1	0	369.473	1.429	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)CC1	ZINC000804890461	938609751	/nfs/dbraw/zinc/60/97/51/938609751.db2.gz	QDFRNSHDUXHRLI-QLFBSQMISA-N	1	0	369.556	1.249	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(F)ccc(F)c2F)C[C@@H]1n1ccnn1	ZINC001129988501	938611472	/nfs/dbraw/zinc/61/14/72/938611472.db2.gz	VUVNENDJRSJMRX-KGLIPLIRSA-N	1	0	365.359	1.927	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2(C)CCCCC2)C[C@@H]1n1ccnn1	ZINC001129988574	938611551	/nfs/dbraw/zinc/61/15/51/938611551.db2.gz	YQROARNWGYBJLW-SJORKVTESA-N	1	0	359.474	1.240	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cccnc2OC)C[C@@H]1n1ccnn1	ZINC001129990185	938612549	/nfs/dbraw/zinc/61/25/49/938612549.db2.gz	QGNMOLDMUSKOSL-CVEARBPZSA-N	1	0	356.430	1.303	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccn(C)c2CC)C[C@@H]1n1ccnn1	ZINC001130014563	938615673	/nfs/dbraw/zinc/61/56/73/938615673.db2.gz	SWAMPYCEXWNUSH-AEFFLSMTSA-N	1	0	356.474	1.801	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(F)c(COC)c2)C[C@@H]1n1ccnn1	ZINC001130006142	938623656	/nfs/dbraw/zinc/62/36/56/938623656.db2.gz	VERVWHQDACYAHA-MSOLQXFVSA-N	1	0	371.416	1.242	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3occc3s2)C[C@@H]1n1ccnn1	ZINC001130006198	938623719	/nfs/dbraw/zinc/62/37/19/938623719.db2.gz	XJBVDVVGGLPFFA-OLZOCXBDSA-N	1	0	355.423	1.764	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(C)nn2CC)C[C@@H]1n1ccnn1	ZINC001130024108	938628199	/nfs/dbraw/zinc/62/81/99/938628199.db2.gz	KOTMFRHYYVNDGO-LESCRADOSA-N	1	0	371.489	1.813	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)OC2CCCC2)C[C@@H]1n1ccnn1	ZINC001130024553	938628543	/nfs/dbraw/zinc/62/85/43/938628543.db2.gz	WKCGDMYMTKEJNI-SQNIBIBYSA-N	1	0	361.490	1.934	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cn2ccnc2C(C)C)C[C@@H]1n1ccnn1	ZINC001130026151	938629143	/nfs/dbraw/zinc/62/91/43/938629143.db2.gz	CXERBBPHLVDMRR-SJORKVTESA-N	1	0	371.489	1.606	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(CC)CC)no2)C[C@@H]1n1ccnn1	ZINC001130032606	938633407	/nfs/dbraw/zinc/63/34/07/938633407.db2.gz	JKYUDRINHZQKNI-SJORKVTESA-N	1	0	370.457	1.848	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)CCc2cn[nH]c2)C[C@@H]1n1ccnn1	ZINC001130033107	938633682	/nfs/dbraw/zinc/63/36/82/938633682.db2.gz	UITYTXKOPVQDBW-MSOLQXFVSA-N	1	0	371.489	1.722	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)C[C@@H]1n1ccnn1	ZINC001130034546	938634650	/nfs/dbraw/zinc/63/46/50/938634650.db2.gz	RTMBIBWAPBPUCG-PXTPFGJHSA-N	1	0	361.449	1.229	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC/C=C\CC)[C@@H](n2ccnn2)C1	ZINC001130037966	938635855	/nfs/dbraw/zinc/63/58/55/938635855.db2.gz	FHOIKBPRRJSFQN-XJRAYOOOSA-N	1	0	373.501	1.957	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2nc(CC)oc2C)C[C@@H]1n1ccnn1	ZINC001130038258	938636424	/nfs/dbraw/zinc/63/64/24/938636424.db2.gz	UZHPPOOTGXCQIP-CABCVRRESA-N	1	0	358.446	1.758	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCc3ccccc32)C[C@@H]1n1ccnn1	ZINC001130046301	938645495	/nfs/dbraw/zinc/64/54/95/938645495.db2.gz	MHZGOLYYUVMOGP-RLLQIKCJSA-N	1	0	363.465	1.763	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)COC3)C[C@@H]1n1ccnn1	ZINC001130046695	938645947	/nfs/dbraw/zinc/64/59/47/938645947.db2.gz	OGWWARTWAGHVPR-MOPGFXCFSA-N	1	0	367.453	1.930	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2coc(CCC)n2)C[C@@H]1n1ccnn1	ZINC001130083610	938664942	/nfs/dbraw/zinc/66/49/42/938664942.db2.gz	CYSIMZLVOPKKDN-ZBFHGGJFSA-N	1	0	358.446	1.840	20	30		FDEDRO
C#CC[C@H](Cc1ccccc1)NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1	ZINC000805073620	938667946	/nfs/dbraw/zinc/66/79/46/938667946.db2.gz	QAXSLGOZDUNYRA-RBUKOAKNSA-N	1	0	370.497	1.508	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn([C@H](C)CC)c2C)C[C@@H]1n1ccnn1	ZINC001130077342	938670310	/nfs/dbraw/zinc/67/03/10/938670310.db2.gz	DEQSVCKHBMMZQT-OLMNPRSZSA-N	1	0	369.473	1.433	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)CCC=C3)C[C@@H]1n1ccnn1	ZINC001130088831	938675212	/nfs/dbraw/zinc/67/52/12/938675212.db2.gz	KTVQYQPZMWEJFI-UXHICEINSA-N	1	0	361.449	1.916	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2ccc(C)s2)C[C@@H]1n1ccnn1	ZINC001130088989	938675607	/nfs/dbraw/zinc/67/56/07/938675607.db2.gz	TVTMZSZPRLXIEO-OAGGEKHMSA-N	1	0	357.483	1.817	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H](CC)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130095063	938679645	/nfs/dbraw/zinc/67/96/45/938679645.db2.gz	YXEOYGPPSWLDPL-UHOSZYNNSA-N	1	0	351.454	1.837	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC3(CCC3)CO2)C[C@@H]1n1ccnn1	ZINC001130096401	938680894	/nfs/dbraw/zinc/68/08/94/938680894.db2.gz	GBQBGXKOSQJCFE-KURKYZTESA-N	1	0	371.485	1.382	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc(C(F)F)c2)C[C@@H]1n1ccnn1	ZINC001130096646	938681018	/nfs/dbraw/zinc/68/10/18/938681018.db2.gz	NVXKKNBLHLMEST-CVEARBPZSA-N	1	0	359.380	1.894	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cccc(N(C)C)c2)C[C@@H]1n1ccnn1	ZINC001130102186	938684177	/nfs/dbraw/zinc/68/41/77/938684177.db2.gz	LVVFAJAYWUINOF-MOPGFXCFSA-N	1	0	368.485	1.966	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)COCc2cccnc2)C[C@@H]1n1ccnn1	ZINC001130105030	938685655	/nfs/dbraw/zinc/68/56/55/938685655.db2.gz	HHMPQHRJBVVKMJ-MSOLQXFVSA-N	1	0	370.457	1.198	20	30		FDEDRO
CCCCCCCCC(=O)N1C[C@@H]([NH2+]C[C@H](C)O)[C@@H](n2ccnn2)C1	ZINC001130109743	938688376	/nfs/dbraw/zinc/68/83/76/938688376.db2.gz	DYBGBWSOTYETAM-BBWFWOEESA-N	1	0	351.495	1.751	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ncccc2OC(C)C)C[C@@H]1n1ccnn1	ZINC001130109566	938688381	/nfs/dbraw/zinc/68/83/81/938688381.db2.gz	BFFHDIWWITZBBY-CVEARBPZSA-N	1	0	368.441	1.139	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2sccc2C2CC2)C[C@@H]1n1ccnn1	ZINC001130115160	938694668	/nfs/dbraw/zinc/69/46/68/938694668.db2.gz	XEBPSSDXPGXDPM-CVEARBPZSA-N	1	0	355.467	1.896	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2CCC=CCC2)C[C@@H]1n1ccnn1	ZINC001130125608	938696926	/nfs/dbraw/zinc/69/69/26/938696926.db2.gz	WUSASZHIVAXLEF-MSOLQXFVSA-N	1	0	359.474	1.569	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COc2cc(C)ccc2C)C[C@@H]1n1ccnn1	ZINC001130122897	938705099	/nfs/dbraw/zinc/70/50/99/938705099.db2.gz	ANEWBORIGIZGJC-MSOLQXFVSA-N	1	0	367.453	1.339	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)c2ccn(C)n2)C[C@@H]1n1ccnn1	ZINC001130123536	938705622	/nfs/dbraw/zinc/70/56/22/938705622.db2.gz	UWNMGDQIVFZRKR-SJORKVTESA-N	1	0	359.478	1.637	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc3oc(C)nc32)C[C@@H]1n1ccnn1	ZINC001130146640	938706673	/nfs/dbraw/zinc/70/66/73/938706673.db2.gz	VBQLOIXVLVOPOX-CVEARBPZSA-N	1	0	364.409	1.406	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCCn2cccn2)C[C@@H]1n1ccnn1	ZINC001130132767	938707691	/nfs/dbraw/zinc/70/76/91/938707691.db2.gz	OJHVNFOFMHHEEP-KSZLIROESA-N	1	0	371.489	1.651	20	30		FDEDRO
C=CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1)c1ccccc1	ZINC001130132836	938707810	/nfs/dbraw/zinc/70/78/10/938707810.db2.gz	RYDBKJDDFVOLRK-KURKYZTESA-N	1	0	357.433	1.949	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CN(CC)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130134223	938708813	/nfs/dbraw/zinc/70/88/13/938708813.db2.gz	YJFBWXFTGJJNCT-MOPGFXCFSA-N	1	0	368.485	1.722	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)n2c(C)ccc2C)C[C@@H]1n1ccnn1	ZINC001130139568	938711764	/nfs/dbraw/zinc/71/17/64/938711764.db2.gz	DTQYFWLKOYKKFY-KURKYZTESA-N	1	0	356.474	1.875	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c(C)nsc2C)C[C@@H]1n1ccnn1	ZINC001130142883	938714172	/nfs/dbraw/zinc/71/41/72/938714172.db2.gz	JSJIKJGPAYFTCI-CABCVRRESA-N	1	0	360.487	1.973	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]([NH2+][C@@H](C)c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001130151034	938715607	/nfs/dbraw/zinc/71/56/07/938715607.db2.gz	GLMBKGGWXIJOFX-UHOSZYNNSA-N	1	0	369.469	1.974	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CCCCCF)[C@@H](n2ccnn2)C1	ZINC001130151352	938715958	/nfs/dbraw/zinc/71/59/58/938715958.db2.gz	NESGHEONLOIVBX-OAGGEKHMSA-N	1	0	353.442	1.351	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COCCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130153530	938717522	/nfs/dbraw/zinc/71/75/22/938717522.db2.gz	XICSJUMNEJWOHR-MOPGFXCFSA-N	1	0	369.469	1.455	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2CC(c3ccccc3)C2)C[C@@H]1n1ccnn1	ZINC001130158590	938720056	/nfs/dbraw/zinc/72/00/56/938720056.db2.gz	MVYMFDFVHYPGPF-TUNPWDSISA-N	1	0	363.465	1.837	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]([NH2+]CC#CCOC)[C@@H](n3ccnn3)C2)CCCC1	ZINC001130163776	938721958	/nfs/dbraw/zinc/72/19/58/938721958.db2.gz	QUCVCGKPRQTKLD-MSOLQXFVSA-N	1	0	371.485	1.406	20	30		FDEDRO
C=CCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C/C=C/Cl)[nH]1	ZINC001130193114	938737873	/nfs/dbraw/zinc/73/78/73/938737873.db2.gz	JBPFNJVJWDAOAN-YUZRODSESA-N	1	0	353.854	1.602	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ocnc2C)[nH]1	ZINC001130198685	938740973	/nfs/dbraw/zinc/74/09/73/938740973.db2.gz	VOYGUNSDPPYZEK-STQMWFEESA-N	1	0	360.418	1.069	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2occc2C)[nH]1	ZINC001130182784	938741492	/nfs/dbraw/zinc/74/14/92/938741492.db2.gz	BMDKHEHSSGFBEW-KBPBESRZSA-N	1	0	359.430	1.674	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)n1	ZINC001130209625	938747564	/nfs/dbraw/zinc/74/75/64/938747564.db2.gz	HTYJSAIEZIOZEP-HMDCTGQHSA-N	1	0	369.469	1.119	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC(C)=C(C)C2)n1	ZINC001130213130	938750270	/nfs/dbraw/zinc/75/02/70/938750270.db2.gz	VFVXPQDLFCCPNW-IKGGRYGDSA-N	1	0	371.485	1.653	20	30		FDEDRO
C=C(C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C/C=C\Cl)[nH]1	ZINC001130215946	938752349	/nfs/dbraw/zinc/75/23/49/938752349.db2.gz	JHEBOZXRHQVKKH-ALKAVYSUSA-N	1	0	367.881	1.992	20	30		FDEDRO
C#CCC1(C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CCC=C)[nH]2)CCC1	ZINC001130216374	938752817	/nfs/dbraw/zinc/75/28/17/938752817.db2.gz	VFZDZLOQPNRGQK-HOTGVXAUSA-N	1	0	371.485	1.653	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H](C)SC)n1	ZINC001130200232	938753789	/nfs/dbraw/zinc/75/37/89/938753789.db2.gz	DRJPJMDEKAWAEN-IHRRRGAJSA-N	1	0	365.503	1.048	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CO[C@@H](C)CC)[nH]1	ZINC001130200581	938754338	/nfs/dbraw/zinc/75/43/38/938754338.db2.gz	RPRFQCRVAGATMA-KKUMJFAQSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2CCC)[nH]1	ZINC001130239911	938756148	/nfs/dbraw/zinc/75/61/48/938756148.db2.gz	CVHQVQYWEIZMRW-QXSJWSMHSA-N	1	0	361.490	1.895	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)cc(C)n2)[nH]1	ZINC001130221146	938756767	/nfs/dbraw/zinc/75/67/67/938756767.db2.gz	WUOQIHVIAQAIJG-HOCLYGCPSA-N	1	0	370.457	1.395	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCCC23CC3)[nH]1	ZINC001130221161	938756831	/nfs/dbraw/zinc/75/68/31/938756831.db2.gz	XMYPNEDCZAJTEP-KKUMJFAQSA-N	1	0	359.474	1.649	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2c(C)oc(C)c2C)n1	ZINC001130223481	938757435	/nfs/dbraw/zinc/75/74/35/938757435.db2.gz	WKOMSKCOXVJXTA-GJZGRUSLSA-N	1	0	371.441	1.348	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H]2C[C@H]2C2CC2)n1	ZINC001130227660	938761673	/nfs/dbraw/zinc/76/16/73/938761673.db2.gz	JGDLJDFZYCTVAW-QAETUUGQSA-N	1	0	371.485	1.343	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@](C)(C=C)CC)[nH]1	ZINC001130234646	938765992	/nfs/dbraw/zinc/76/59/92/938765992.db2.gz	GCHOYGCFXGGTQS-DOXZYTNZSA-N	1	0	359.474	1.509	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)C(C)(F)F)[nH]1	ZINC001130237808	938767110	/nfs/dbraw/zinc/76/71/10/938767110.db2.gz	FOXSBCKQARNAPN-AVGNSLFASA-N	1	0	371.432	1.750	20	30		FDEDRO
C=CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C[C@@H](C)OC)[nH]1	ZINC001130237779	938767166	/nfs/dbraw/zinc/76/71/66/938767166.db2.gz	DMNDTNGZIQJMOJ-ILXRZTDVSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2ccco2)[nH]1	ZINC001130246393	938771883	/nfs/dbraw/zinc/77/18/83/938771883.db2.gz	JEHJAZBEAODXEH-GJZGRUSLSA-N	1	0	359.430	1.295	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[C@H](C)CC2)n1	ZINC001130247203	938772386	/nfs/dbraw/zinc/77/23/86/938772386.db2.gz	YGTFBWCMJOUVBV-VGWMRTNUSA-N	1	0	359.474	1.343	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H](C)CC(C)C)n1	ZINC001130248945	938773232	/nfs/dbraw/zinc/77/32/32/938773232.db2.gz	BJMLGYJQAQCZHA-JYJNAYRXSA-N	1	0	361.490	1.589	20	30		FDEDRO
O=C(NCC[NH2+]CC#Cc1ccccc1)[C@@H]1OCCO[C@@H]1C(F)(F)F	ZINC001130257491	938777394	/nfs/dbraw/zinc/77/73/94/938777394.db2.gz	HSPBLRKAYUNNTM-CABCVRRESA-N	1	0	356.344	1.090	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@H](C)SC)CC1	ZINC001130280927	938779152	/nfs/dbraw/zinc/77/91/52/938779152.db2.gz	CMKIDMSZYBCKFJ-JOQOYGCGSA-N	1	0	353.532	1.789	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](Cc2ccccc2)CC1	ZINC001130281309	938779198	/nfs/dbraw/zinc/77/91/98/938779198.db2.gz	HKCITUNLPRKALP-CVAIRZPRSA-N	1	0	368.481	1.822	20	30		FDEDRO
CC/C=C\CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)C#N)CC1	ZINC001130282371	938780001	/nfs/dbraw/zinc/78/00/01/938780001.db2.gz	UDCWRQHHTUDMPA-UCDGNLCVSA-N	1	0	360.502	1.978	20	30		FDEDRO
CC/C=C/CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)C#N)CC1	ZINC001130282370	938780047	/nfs/dbraw/zinc/78/00/47/938780047.db2.gz	UDCWRQHHTUDMPA-DGZIGMABSA-N	1	0	360.502	1.978	20	30		FDEDRO
C=CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CCCO2)CC1	ZINC001130269469	938784240	/nfs/dbraw/zinc/78/42/40/938784240.db2.gz	QZGAHQNOBGDCAG-LMMKCTJWSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)/C=C/c2ccco2)CC1	ZINC001130271472	938785110	/nfs/dbraw/zinc/78/51/10/938785110.db2.gz	AYLIVYRHRNLBHX-YQPNNZSJSA-N	1	0	357.454	1.954	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)SC)CC1	ZINC001130274699	938786970	/nfs/dbraw/zinc/78/69/70/938786970.db2.gz	ZLVLHYJKDVAJKY-UNEWFSDZSA-N	1	0	351.516	1.237	20	30		FDEDRO
C=C(C)CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@H](C)OC)CC1	ZINC001130276680	938787596	/nfs/dbraw/zinc/78/75/96/938787596.db2.gz	KSXWVKPLPKXNDP-VPWXQRGCSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@H](C)OC)CC1	ZINC001130276791	938787846	/nfs/dbraw/zinc/78/78/46/938787846.db2.gz	PTQDVHZJNOSLQZ-GMBSWORKSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C(C)CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)OC)CC1	ZINC001130276934	938788065	/nfs/dbraw/zinc/78/80/65/938788065.db2.gz	VQNCWOKIYPRCKU-LESCRADOSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)COC)CC1	ZINC001130278947	938789013	/nfs/dbraw/zinc/78/90/13/938789013.db2.gz	MTTGSGFLVZMENZ-KYJSFNMBSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=C(C)CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](O)C(C)C)CC1	ZINC001130285148	938789900	/nfs/dbraw/zinc/78/99/00/938789900.db2.gz	BPEXVKWAKCJWEC-NZSAHSFTSA-N	1	0	365.518	1.445	20	30		FDEDRO
C=CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](O)C(C)C)CC1	ZINC001130286009	938790740	/nfs/dbraw/zinc/79/07/40/938790740.db2.gz	STOQQZWBFOMNBJ-NZSAHSFTSA-N	1	0	365.518	1.445	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC[C@H](C)F)CC1	ZINC001130291060	938795723	/nfs/dbraw/zinc/79/57/23/938795723.db2.gz	VRGUTZYUSGSARK-VPWXQRGCSA-N	1	0	365.493	1.869	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)C(F)(F)F)CC1	ZINC001130295474	938797786	/nfs/dbraw/zinc/79/77/86/938797786.db2.gz	CYQJWCWYUYALJL-KYOSRNDESA-N	1	0	359.392	1.293	20	30		FDEDRO
C=CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2cccnn2)CC1	ZINC001130304957	938803143	/nfs/dbraw/zinc/80/31/43/938803143.db2.gz	GOHVKJUKVHZRAL-APWZRJJASA-N	1	0	371.485	1.532	20	30		FDEDRO
Cn1cnc([C@@H]2CN(C(=O)CSCC#N)C[C@H]2[NH2+]C/C=C\Cl)c1	ZINC001130502379	938885130	/nfs/dbraw/zinc/88/51/30/938885130.db2.gz	JXQBNOZVRGTZAE-SZESAMFPSA-N	1	0	353.879	1.313	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCOC)C1	ZINC001130527465	938894118	/nfs/dbraw/zinc/89/41/18/938894118.db2.gz	BBHGQFNBKCQXHF-SOLBZPMBSA-N	1	0	364.490	1.322	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)COCCOC)C[C@H]1c1cn(C)cn1	ZINC001130546656	938901645	/nfs/dbraw/zinc/90/16/45/938901645.db2.gz	MNFFTKCMCMZXOO-SOLBZPMBSA-N	1	0	364.490	1.322	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC2(F)F)C[C@H]1c1cn(C)cn1	ZINC001130580435	939892848	/nfs/dbraw/zinc/89/28/48/939892848.db2.gz	FLCPNPHTHWDDTD-KCQAQPDRSA-N	1	0	354.401	1.162	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCc2ccns2)C1	ZINC001130590157	939895987	/nfs/dbraw/zinc/89/59/87/939895987.db2.gz	BTCOCZDFTNQKSV-FUHWJXTLSA-N	1	0	371.510	1.663	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)noc2CCC)C[C@H]1c1cn(C)cn1	ZINC001130590397	939897327	/nfs/dbraw/zinc/89/73/27/939897327.db2.gz	NUSBXVSGFUNGMW-DOTOQJQBSA-N	1	0	369.469	1.890	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCC(C)(C)C)C1	ZINC001130593358	939900389	/nfs/dbraw/zinc/90/03/89/939900389.db2.gz	XYBABQHZHDZXDU-XYJFISCASA-N	1	0	360.502	1.779	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2ccnn2C)C[C@H]1c1cn(C)cn1	ZINC001130597045	939904092	/nfs/dbraw/zinc/90/40/92/939904092.db2.gz	YPIMNADGQWXGKF-XYJFISCASA-N	1	0	370.501	1.808	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(F)cccc2OC)C[C@H]1c1cn(C)cn1	ZINC001130599618	939905297	/nfs/dbraw/zinc/90/52/97/939905297.db2.gz	XGMCTSDUCPKIBH-WMLDXEAASA-N	1	0	370.428	1.789	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnc3n2CCC3)C[C@H]1c1cn(C)cn1	ZINC001130610354	939907981	/nfs/dbraw/zinc/90/79/81/939907981.db2.gz	KCGXVRBWICYLLU-DOTOQJQBSA-N	1	0	368.485	1.727	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCC(=C)C)C1	ZINC001130610831	939908186	/nfs/dbraw/zinc/90/81/86/939908186.db2.gz	SPWHQAHLCSAXRN-SXLOBPIMSA-N	1	0	369.513	1.368	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccn(CC(C)C)n2)C[C@H]1c1cn(C)cn1	ZINC001130603107	939914872	/nfs/dbraw/zinc/91/48/72/939914872.db2.gz	ZDTASNDUNPXYDN-QFBILLFUSA-N	1	0	368.485	1.494	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@@H](C)C(=O)NC)C1	ZINC001130605191	939916717	/nfs/dbraw/zinc/91/67/17/939916717.db2.gz	YGNJLLKUWDDRHH-OFQRWUPVSA-N	1	0	361.490	1.041	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cn2nc(C)cc2C)C[C@H]1c1cn(C)cn1	ZINC001130624572	939922702	/nfs/dbraw/zinc/92/27/02/939922702.db2.gz	ZKKSEYQXFJIEFI-FUHWJXTLSA-N	1	0	356.474	1.394	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130617201	939928682	/nfs/dbraw/zinc/92/86/82/939928682.db2.gz	STPROFDSCAXJSU-AZUAARDMSA-N	1	0	366.465	1.197	20	30		FDEDRO
CC(C)(C)OC(=O)[C@H](C#N)c1cccc(NCCOCCOCC[NH3+])n1	ZINC001170508539	939932882	/nfs/dbraw/zinc/93/28/82/939932882.db2.gz	SMGBZNVLJVCSFO-CQSZACIVSA-N	1	0	364.446	1.434	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(OCC)no2)C[C@H]1c1cn(C)cn1	ZINC001130632734	939936169	/nfs/dbraw/zinc/93/61/69/939936169.db2.gz	NYRZQIZCPLYYHA-DZGCQCFKSA-N	1	0	357.414	1.028	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(c3cc(C)no3)CC2)C[C@H]1c1cn(C)cn1	ZINC001130649888	939944830	/nfs/dbraw/zinc/94/48/30/939944830.db2.gz	YCTBTFQBTZYYMF-DOTOQJQBSA-N	1	0	367.453	1.356	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2ccc(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130642277	939949867	/nfs/dbraw/zinc/94/98/67/939949867.db2.gz	JCDWSGFKUREUER-ZIFCJYIRSA-N	1	0	368.485	1.484	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cccnc2OC)C[C@H]1c1cn(C)cn1	ZINC001130659151	939965171	/nfs/dbraw/zinc/96/51/71/939965171.db2.gz	HLNDPWSHLPQMRK-FUHWJXTLSA-N	1	0	369.469	1.988	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)Cc2occc2C)C[C@H]1c1cn(C)cn1	ZINC001130667425	939969238	/nfs/dbraw/zinc/96/92/38/939969238.db2.gz	ZZCMGDJYUXNEOC-FUHWJXTLSA-N	1	0	370.453	1.098	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCCC)C2)c1	ZINC001130672672	939971907	/nfs/dbraw/zinc/97/19/07/939971907.db2.gz	WFZKLBKUCAMBAC-PKOBYXMFSA-N	1	0	351.454	1.794	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2cc(C)on2)C[C@H]1c1cn(C)cn1	ZINC001130675352	939973488	/nfs/dbraw/zinc/97/34/88/939973488.db2.gz	SABPHVAZKKUWEV-FUHWJXTLSA-N	1	0	357.458	1.809	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCc2ccncc2)C[C@H]1c1cn(C)cn1	ZINC001130677924	939974259	/nfs/dbraw/zinc/97/42/59/939974259.db2.gz	HZIWCEMYDDNOQR-HHXXYDBFSA-N	1	0	369.469	1.490	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2cccnc2)C[C@H]1c1cn(C)cn1	ZINC001130687757	939977841	/nfs/dbraw/zinc/97/78/41/939977841.db2.gz	PCYCULZWDOOTPG-XKGZKEIXSA-N	1	0	365.481	1.916	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCC2)C[C@H]1c1cn(C)cn1	ZINC001130692354	939980966	/nfs/dbraw/zinc/98/09/66/939980966.db2.gz	GDVPZLPFOVVOKK-HLNWXESRSA-N	1	0	370.497	1.390	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2oncc2C)C[C@H]1c1cn(C)cn1	ZINC001130704175	939984766	/nfs/dbraw/zinc/98/47/66/939984766.db2.gz	HUQRLOXYWHWGHP-GOEBONIOSA-N	1	0	359.430	1.117	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cn(CC)nn2)C[C@H]1c1cn(C)cn1	ZINC001130704291	939985085	/nfs/dbraw/zinc/98/50/85/939985085.db2.gz	IRLDJHDTXDEVCB-GOEBONIOSA-N	1	0	357.462	1.196	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cncc(Cl)c2)C[C@H]1c1cn(C)cn1	ZINC001130695569	939990537	/nfs/dbraw/zinc/99/05/37/939990537.db2.gz	ZVPHYWODGRUKTI-DOTOQJQBSA-N	1	0	357.845	1.690	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2ncccn2)C[C@H]1c1cn(C)cn1	ZINC001130698784	939992789	/nfs/dbraw/zinc/99/27/89/939992789.db2.gz	TUJRVJNMFUURQI-FUHWJXTLSA-N	1	0	368.485	1.693	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn(C(F)F)c2)C[C@H]1c1cn(C)cn1	ZINC001130701319	939996330	/nfs/dbraw/zinc/99/63/30/939996330.db2.gz	QUYHXPWQQHBHFT-DZGCQCFKSA-N	1	0	362.384	1.233	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1c1cn(C)cn1	ZINC001130712942	939999971	/nfs/dbraw/zinc/99/99/71/939999971.db2.gz	TVUQVIAWABYXFQ-FUHWJXTLSA-N	1	0	356.474	1.247	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn(CC3CC3)c2)C[C@H]1c1cn(C)cn1	ZINC001130708416	940014566	/nfs/dbraw/zinc/01/45/66/940014566.db2.gz	OIVVDLJEIZCXIC-PKOBYXMFSA-N	1	0	366.469	1.248	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn3c2CCCC3)C[C@H]1c1cn(C)cn1	ZINC001130708539	940014631	/nfs/dbraw/zinc/01/46/31/940014631.db2.gz	WQHVTYJBJNGFFP-FUHWJXTLSA-N	1	0	366.469	1.174	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCF)C1	ZINC001130719317	940022516	/nfs/dbraw/zinc/02/25/16/940022516.db2.gz	JHROCLBIPZZSEE-AZUAARDMSA-N	1	0	368.456	1.888	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC#CC)C2)CCOCC1	ZINC001130723132	940027644	/nfs/dbraw/zinc/02/76/44/940027644.db2.gz	CBKIZOPIKQFNIE-PKOBYXMFSA-N	1	0	370.497	1.700	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCF)C2)CCOCC1	ZINC001130723264	940028016	/nfs/dbraw/zinc/02/80/16/940028016.db2.gz	GFDBUSQHWBTRPQ-DOTOQJQBSA-N	1	0	364.465	1.647	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](OC)C2CCCC2)C[C@H]1c1cn(C)cn1	ZINC001130723730	940028528	/nfs/dbraw/zinc/02/85/28/940028528.db2.gz	VQLSSYHKNCGVAR-QXAKKESOSA-N	1	0	358.486	1.533	20	30		FDEDRO
C#Cc1cncc(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)c1	ZINC000806766894	940039468	/nfs/dbraw/zinc/03/94/68/940039468.db2.gz	KOMKMXHJGMURBD-UHFFFAOYSA-N	1	0	350.422	1.284	20	30		FDEDRO
C=CC[C@@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1)c1ccccc1	ZINC001130732023	940045628	/nfs/dbraw/zinc/04/56/28/940045628.db2.gz	WCNSZZICZJPYRE-WSTZPKSXSA-N	1	0	368.481	1.656	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3sccc3C)n2)O1	ZINC001130747173	940052516	/nfs/dbraw/zinc/05/25/16/940052516.db2.gz	REXJMSANFHDZKI-QWHCGFSZSA-N	1	0	359.455	1.548	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(F)cc3)n2)O1	ZINC001130749811	940057681	/nfs/dbraw/zinc/05/76/81/940057681.db2.gz	ROPNEZSCGKBANJ-JKSUJKDBSA-N	1	0	371.416	1.707	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CSC)n2)O1	ZINC001130753066	940061647	/nfs/dbraw/zinc/06/16/47/940061647.db2.gz	PAGZIJOFWLUICR-WDEREUQCSA-N	1	0	359.883	1.346	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cccs3)n2)O1	ZINC001130753067	940061909	/nfs/dbraw/zinc/06/19/09/940061909.db2.gz	PBFLOUPIPSGUFD-QWHCGFSZSA-N	1	0	359.455	1.629	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](CC)OC)n2)O1	ZINC001130761643	940067332	/nfs/dbraw/zinc/06/73/32/940067332.db2.gz	FIXHNOGKAPHSGR-RRFJBIMHSA-N	1	0	365.478	1.622	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCC)O2)n[nH]1	ZINC001130761853	940068144	/nfs/dbraw/zinc/06/81/44/940068144.db2.gz	HQSDPUUZDXOYNK-QLFBSQMISA-N	1	0	365.478	1.622	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC)O2)n[nH]1	ZINC001130762403	940070523	/nfs/dbraw/zinc/07/05/23/940070523.db2.gz	USUGMAUBASLNEL-MELADBBJSA-N	1	0	351.451	1.232	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C)oc3C)n2)O1	ZINC001130756433	940078964	/nfs/dbraw/zinc/07/89/64/940078964.db2.gz	GYHCMLCHJJMAIB-GOEBONIOSA-N	1	0	371.441	1.778	20	30		FDEDRO
CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(C#N)[nH]3)n2)O1	ZINC001130775144	940091925	/nfs/dbraw/zinc/09/19/25/940091925.db2.gz	MDEDSZIJRAAAGO-DZGCQCFKSA-N	1	0	371.445	1.544	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)SC)n2)O1	ZINC001130767201	940099918	/nfs/dbraw/zinc/09/99/18/940099918.db2.gz	CIVZEKSTZFFWKX-FRRDWIJNSA-N	1	0	353.492	1.558	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cnc(C)[nH]3)n2)O1	ZINC001130772402	940112408	/nfs/dbraw/zinc/11/24/08/940112408.db2.gz	LFHRYMFCBPGKGP-GXTWGEPZSA-N	1	0	359.434	1.152	20	30		FDEDRO
C#CCCCNC(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1	ZINC000806922426	940118481	/nfs/dbraw/zinc/11/84/81/940118481.db2.gz	JGRMZRPPUOCLPG-UHFFFAOYSA-N	1	0	358.442	1.435	20	30		FDEDRO
C#CCO[C@H](C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCC)O2)n[nH]1	ZINC001130785492	940120119	/nfs/dbraw/zinc/12/01/19/940120119.db2.gz	QIVNGNFTUPXPSK-QLFBSQMISA-N	1	0	363.462	1.069	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ncc[nH]3)n2)O1	ZINC001130781069	940135538	/nfs/dbraw/zinc/13/55/38/940135538.db2.gz	NGWXSVNRUBWRHI-QWHCGFSZSA-N	1	0	359.434	1.234	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3CC(C)(C)C3)n2)O1	ZINC001130780985	940135817	/nfs/dbraw/zinc/13/58/17/940135817.db2.gz	JHKNKJDELQNSRS-LSDHHAIUSA-N	1	0	359.474	1.690	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3nccc(C)n3)n2)O1	ZINC001130783470	940142944	/nfs/dbraw/zinc/14/29/44/940142944.db2.gz	ZLKOKVFOXUYILH-UONOGXRCSA-N	1	0	371.445	1.219	20	30		FDEDRO
C=C[C@H](CC)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC#CC)O2)n[nH]1	ZINC001130796075	940149142	/nfs/dbraw/zinc/14/91/42/940149142.db2.gz	HCPCPTUXMFWSMQ-OWCLPIDISA-N	1	0	359.474	1.856	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3[nH]c(C)cc3C)n2)O1	ZINC001130789962	940161654	/nfs/dbraw/zinc/16/16/54/940161654.db2.gz	AGVIUOSNQWLORO-UONOGXRCSA-N	1	0	356.430	1.123	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cncc(CC)c3)n2)O1	ZINC001130792563	940170516	/nfs/dbraw/zinc/17/05/16/940170516.db2.gz	KMFWMZZQQLWFND-JKSUJKDBSA-N	1	0	370.457	1.688	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(C=C)cc3)n2)O1	ZINC001130806927	940181509	/nfs/dbraw/zinc/18/15/09/940181509.db2.gz	NECZGBPWTODDFF-DLBZAZTESA-N	1	0	365.437	1.821	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3OCC[C@H]3C)n2)O1	ZINC001130809192	940186404	/nfs/dbraw/zinc/18/64/04/940186404.db2.gz	LQJQPBCTEHTSLO-CTASWTNQSA-N	1	0	363.462	1.232	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](F)CC)n2)O1	ZINC001130799525	940192919	/nfs/dbraw/zinc/19/29/19/940192919.db2.gz	LCVSMOYSAMISLS-QJPTWQEYSA-N	1	0	359.833	1.731	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)c3ccc(C)o3)n2)O1	ZINC001130811673	940204997	/nfs/dbraw/zinc/20/49/97/940204997.db2.gz	DIPOTZUCVKFKHB-IJEWVQPXSA-N	1	0	371.441	1.569	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3cscn3)n2)O1	ZINC001130813418	940212279	/nfs/dbraw/zinc/21/22/79/940212279.db2.gz	OXWVFAJKEQONCJ-QWHCGFSZSA-N	1	0	362.459	1.116	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C)ccc3C)n2)O1	ZINC001130817126	940220967	/nfs/dbraw/zinc/22/09/67/940220967.db2.gz	AONJNGNIYGVFNJ-DOTOQJQBSA-N	1	0	367.453	1.794	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(C)cc3)n2)O1	ZINC001130817593	940222774	/nfs/dbraw/zinc/22/27/74/940222774.db2.gz	VDRUKWSFQQSCCH-JKSUJKDBSA-N	1	0	353.426	1.486	20	30		FDEDRO
C#C[C@@H](CCC)NC(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1	ZINC000807035449	940225489	/nfs/dbraw/zinc/22/54/89/940225489.db2.gz	PBYNRBPQGUNGBW-HNNXBMFYSA-N	1	0	372.469	1.824	20	30		FDEDRO
COCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001130893418	940289402	/nfs/dbraw/zinc/28/94/02/940289402.db2.gz	HGOPELOMOCZIJX-QZTJIDSGSA-N	1	0	367.453	1.412	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cccnc2)C[C@H]1c1cncn1C	ZINC001130895868	940293384	/nfs/dbraw/zinc/29/33/84/940293384.db2.gz	MTJJGMCBQGWSTB-IAGOWNOFSA-N	1	0	355.442	1.216	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cc(C)on2)C[C@H]1c1cncn1C	ZINC001130900152	940310244	/nfs/dbraw/zinc/31/02/44/940310244.db2.gz	MVYNORPUQZDQOL-GDBMZVCRSA-N	1	0	359.430	1.117	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC=CCC2)C[C@H]1c1cncn1C	ZINC001130903195	940312060	/nfs/dbraw/zinc/31/20/60/940312060.db2.gz	YKUJPNQZUYEQSY-KZNAEPCWSA-N	1	0	356.470	1.310	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1c1cncn1C	ZINC001130910983	940318234	/nfs/dbraw/zinc/31/82/34/940318234.db2.gz	SIWMAEUNRDQFGU-GVDBMIGSSA-N	1	0	356.474	1.556	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CNC(=O)OC)C[C@H]1c1cncn1C	ZINC001130925075	940321954	/nfs/dbraw/zinc/32/19/54/940321954.db2.gz	QJVQXEKEJPKHSE-RRFJBIMHSA-N	1	0	363.462	1.015	20	30		FDEDRO
C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000807353063	940331364	/nfs/dbraw/zinc/33/13/64/940331364.db2.gz	DKUPMLFTMLOFOF-ZFWWWQNUSA-N	1	0	374.416	1.752	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(=O)N(C)C(C)C)C1	ZINC001130935750	940332201	/nfs/dbraw/zinc/33/22/01/940332201.db2.gz	JTRUTGUHXUFSML-HZPDHXFCSA-N	1	0	361.490	1.137	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO[C@@H]2CC2(F)F)C1	ZINC001130935884	940332262	/nfs/dbraw/zinc/33/22/62/940332262.db2.gz	PMRRZAHYVHOFAF-IIAWOOMASA-N	1	0	368.428	1.695	20	30		FDEDRO
C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1	ZINC000807404664	940352148	/nfs/dbraw/zinc/35/21/48/940352148.db2.gz	VYPJSVGKNMKZCQ-UHFFFAOYSA-N	1	0	359.389	1.868	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2COC(=O)C2)C[C@H]1c1cncn1C	ZINC001130959277	940365012	/nfs/dbraw/zinc/36/50/12/940365012.db2.gz	IHXVTWFAAHEDJN-ARFHVFGLSA-N	1	0	360.458	1.224	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@@H]([NH2+][C@@H](C)CC)c2ccco2)CC1	ZINC000807441629	940373659	/nfs/dbraw/zinc/37/36/59/940373659.db2.gz	LTSYIVJJIUPZQO-DOTOQJQBSA-N	1	0	374.485	1.880	20	30		FDEDRO
CC[C@H](F)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1c1cncn1C	ZINC001130968721	940376809	/nfs/dbraw/zinc/37/68/09/940376809.db2.gz	HSYNYRVMXUIXEJ-NUEKZKHPSA-N	1	0	358.421	1.566	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)c(C)o2)C[C@H]1c1cncn1C	ZINC001130964622	940386905	/nfs/dbraw/zinc/38/69/05/940386905.db2.gz	VJKYEHYNQNCWAZ-IAGOWNOFSA-N	1	0	370.453	1.478	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOC(C)C)C1	ZINC001130966733	940388833	/nfs/dbraw/zinc/38/88/33/940388833.db2.gz	BBRDMAPJVKTQBS-QZTJIDSGSA-N	1	0	360.502	1.923	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC/C=C/CC)C1	ZINC001130988555	940410225	/nfs/dbraw/zinc/41/02/25/940410225.db2.gz	HSBURJWJVBADTE-RCKLCRPTSA-N	1	0	358.486	1.699	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)=C2CCC2)C[C@H]1c1cncn1C	ZINC001130988737	940410756	/nfs/dbraw/zinc/41/07/56/940410756.db2.gz	LURPHODJYJWVPV-IAGOWNOFSA-N	1	0	371.485	1.107	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1c1cncn1C	ZINC001130988992	940411340	/nfs/dbraw/zinc/41/13/40/940411340.db2.gz	SAEKPMUSTBOZQH-ZIAGYGMSSA-N	1	0	368.428	1.552	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCOC(C)C)C1	ZINC001130991352	940413530	/nfs/dbraw/zinc/41/35/30/940413530.db2.gz	FJOYMIPVDWJWTE-QZTJIDSGSA-N	1	0	360.502	1.779	20	30		FDEDRO
Cc1nocc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1c1cncn1C	ZINC001130991553	940414548	/nfs/dbraw/zinc/41/45/48/940414548.db2.gz	QVMVSFKOXIUHOG-IAGOWNOFSA-N	1	0	355.442	1.460	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnnn2CC)C[C@H]1c1cncn1C	ZINC001130985382	940422589	/nfs/dbraw/zinc/42/25/89/940422589.db2.gz	HHIYABFNTGNBOV-HUUCEWRRSA-N	1	0	357.462	1.196	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(C)nnc2C)C[C@H]1c1cncn1C	ZINC001131003766	940429949	/nfs/dbraw/zinc/42/99/49/940429949.db2.gz	OQMPNBSPHBSYMI-QZTJIDSGSA-N	1	0	368.485	1.991	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OCC)nc2)C[C@H]1c1cncn1C	ZINC001131006071	940432226	/nfs/dbraw/zinc/43/22/26/940432226.db2.gz	KGNPLDGZTYVCEX-IAGOWNOFSA-N	1	0	367.453	1.435	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(F)ccc2F)C[C@H]1c1cncn1C	ZINC001131008002	940434441	/nfs/dbraw/zinc/43/44/41/940434441.db2.gz	REXFGLZADNBLDN-NVXWUHKLSA-N	1	0	358.392	1.919	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2C2CC2)C[C@H]1c1cncn1C	ZINC001130998869	940435508	/nfs/dbraw/zinc/43/55/08/940435508.db2.gz	DSZVXJBAAVODDS-NVXWUHKLSA-N	1	0	366.469	1.252	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1c1cncn1C	ZINC001131012140	940443723	/nfs/dbraw/zinc/44/37/23/940443723.db2.gz	DFLSYIZEBBBHKG-FVQBIDKESA-N	1	0	370.457	1.468	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)CC(F)F)C[C@H]1c1cncn1C	ZINC001131030951	940450637	/nfs/dbraw/zinc/45/06/37/940450637.db2.gz	FTOFVCKFVHILOL-RRFJBIMHSA-N	1	0	368.428	1.245	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(F)cn2)C[C@H]1c1cncn1C	ZINC001131020158	940452502	/nfs/dbraw/zinc/45/25/02/940452502.db2.gz	MJGRUJQKABMMPM-IAGOWNOFSA-N	1	0	357.433	1.657	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2CC)C[C@H]1c1cncn1C	ZINC001131023177	940456640	/nfs/dbraw/zinc/45/66/40/940456640.db2.gz	PXUTYTGWIWKZAK-IAGOWNOFSA-N	1	0	370.501	1.880	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2occ3c2CCOC3)C[C@H]1c1cncn1C	ZINC001131039890	940467520	/nfs/dbraw/zinc/46/75/20/940467520.db2.gz	AAQQOHWDBQAURJ-IAGOWNOFSA-N	1	0	368.437	1.307	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(CC)[nH]c(=O)c2)C[C@H]1c1cncn1C	ZINC001131032949	940470045	/nfs/dbraw/zinc/47/00/45/940470045.db2.gz	BLHRKWVPYVGBLN-IAGOWNOFSA-N	1	0	369.469	1.857	20	30		FDEDRO
CC[NH+](CC)CCNC(=O)c1cc(N[C@@H](C#N)C(N)=O)nc2ccccc21	ZINC001170532152	940470774	/nfs/dbraw/zinc/47/07/74/940470774.db2.gz	ZVMFCKARHCKCPF-INIZCTEOSA-N	1	0	368.441	1.096	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(OC)cs2)C[C@H]1c1cncn1C	ZINC001131042949	940471863	/nfs/dbraw/zinc/47/18/63/940471863.db2.gz	ZIWIVAYQIOAQMM-HUUCEWRRSA-N	1	0	358.467	1.711	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-c3nc[nH]n3)c2)C1	ZINC001195214381	970769781	/nfs/dbraw/zinc/76/97/81/970769781.db2.gz	JXAUYHJDVCNRNY-IAOVAPTHSA-N	1	0	355.442	1.601	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1c1cncn1C	ZINC001131057329	940477557	/nfs/dbraw/zinc/47/75/57/940477557.db2.gz	CXWRUXQDRCZIQG-ZIAGYGMSSA-N	1	0	358.446	1.023	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2conc2C)C[C@H]1c1cncn1C	ZINC001131057629	940478015	/nfs/dbraw/zinc/47/80/15/940478015.db2.gz	PVFRLWKYLGIGRP-GDBMZVCRSA-N	1	0	359.430	1.117	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)C(F)(F)F)C[C@H]1c1cncn1C	ZINC001131062153	940479930	/nfs/dbraw/zinc/47/99/30/940479930.db2.gz	ZMLCTKHZNSKWLA-BFHYXJOUSA-N	1	0	356.392	1.916	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ncccc2F)C[C@H]1c1cncn1C	ZINC001131051903	940480284	/nfs/dbraw/zinc/48/02/84/940480284.db2.gz	ZMKWJDXDZSFECO-RHSMWYFYSA-N	1	0	355.417	1.104	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)C2CC2)C[C@H]1c1cncn1C	ZINC001131051887	940480316	/nfs/dbraw/zinc/48/03/16/940480316.db2.gz	YZRKVSLTTFLASG-IAGOWNOFSA-N	1	0	358.486	1.390	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C(C)(C)C(F)F)C[C@H]1c1cncn1C	ZINC001131066134	940482319	/nfs/dbraw/zinc/48/23/19/940482319.db2.gz	BMYNWWSOWIDSLO-ZIAGYGMSSA-N	1	0	370.444	1.798	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@H](C)C(=O)NC)C1	ZINC001131082617	940488135	/nfs/dbraw/zinc/48/81/35/940488135.db2.gz	TZVBGLBVHFYDBR-RBSFLKMASA-N	1	0	361.490	1.041	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cn(CC)nc2C)C[C@H]1c1cncn1C	ZINC001131079109	940492028	/nfs/dbraw/zinc/49/20/28/940492028.db2.gz	FZHQVWDHVJAAJD-IAGOWNOFSA-N	1	0	354.458	1.166	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2nc(CC)oc2C)C[C@H]1c1cncn1C	ZINC001131089604	940494909	/nfs/dbraw/zinc/49/49/09/940494909.db2.gz	PSJUSXHWEWZZPG-HUUCEWRRSA-N	1	0	355.442	1.500	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2csc(Cl)n2)C[C@H]1c1cncn1C	ZINC001131101138	940500332	/nfs/dbraw/zinc/50/03/32/940500332.db2.gz	PBGKBNDKUUIVMK-VXGBXAGGSA-N	1	0	363.874	1.751	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2cnn(CC)c2)C[C@H]1c1cncn1C	ZINC001131105812	940501631	/nfs/dbraw/zinc/50/16/31/940501631.db2.gz	HXWWCLMZSZVHKD-QZTJIDSGSA-N	1	0	370.501	1.729	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCCCC(N)=O)C[C@H]1c1cncn1C	ZINC001131106089	940501732	/nfs/dbraw/zinc/50/17/32/940501732.db2.gz	OPSCVTOKMZACBC-HZPDHXFCSA-N	1	0	361.490	1.316	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2sccc2OC)C[C@H]1c1cncn1C	ZINC001131115483	940503688	/nfs/dbraw/zinc/50/36/88/940503688.db2.gz	OTCACFRPVNQPAH-ZIAGYGMSSA-N	1	0	358.467	1.711	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1c1cncn1C	ZINC001131120974	940506246	/nfs/dbraw/zinc/50/62/46/940506246.db2.gz	GENPUZMHNBDVPJ-ZMSDIMECSA-N	1	0	356.474	1.706	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1c1cncn1C	ZINC001131120973	940506248	/nfs/dbraw/zinc/50/62/48/940506248.db2.gz	GENPUZMHNBDVPJ-BFYDXBDKSA-N	1	0	356.474	1.706	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2c(C)noc2C)C[C@H]1c1cncn1C	ZINC001131121269	940506614	/nfs/dbraw/zinc/50/66/14/940506614.db2.gz	QCLHNJUTRLJQJI-IAGOWNOFSA-N	1	0	355.442	1.175	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3cccnc3C2)C[C@H]1c1cncn1C	ZINC001131115246	940508615	/nfs/dbraw/zinc/50/86/15/940508615.db2.gz	GGYQJIMJMKYDKB-ZHALLVOQSA-N	1	0	363.465	1.137	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1c1cncn1C	ZINC001131130690	940511463	/nfs/dbraw/zinc/51/14/63/940511463.db2.gz	YOWQUDOWTIBSGA-QZTJIDSGSA-N	1	0	370.501	1.947	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)COC[C@H]2CCCO2)C[C@H]1c1cncn1C	ZINC001131136562	940513615	/nfs/dbraw/zinc/51/36/15/940513615.db2.gz	SWORXGDSLQIDIJ-BRWVUGGUSA-N	1	0	362.474	1.076	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)C1CCCC1	ZINC000808059215	940514623	/nfs/dbraw/zinc/51/46/23/940514623.db2.gz	OIOGSMPIYSNNTJ-RTBURBONSA-N	1	0	353.466	1.952	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1	ZINC000808424753	940544558	/nfs/dbraw/zinc/54/45/58/940544558.db2.gz	VRGSSCSMHCTMFH-GDBMZVCRSA-N	1	0	366.487	1.338	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ccncc2)C1	ZINC001131298048	940545104	/nfs/dbraw/zinc/54/51/04/940545104.db2.gz	RNIUCKJLXDAIHZ-KURKYZTESA-N	1	0	370.453	1.767	20	30		FDEDRO
CC(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C#CC(C)(C)C)C1	ZINC001131307173	940548923	/nfs/dbraw/zinc/54/89/23/940548923.db2.gz	LCRYCLLFDFPESH-BBWFWOEESA-N	1	0	361.486	1.798	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CCCCC)C[C@H]32)C1	ZINC001131307526	940549184	/nfs/dbraw/zinc/54/91/84/940549184.db2.gz	WBESMIRMOBNCHJ-ZACQAIPSSA-N	1	0	365.474	1.485	20	30		FDEDRO
C=CCCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2c2ccco2)CC1	ZINC001131383292	940559323	/nfs/dbraw/zinc/55/93/23/940559323.db2.gz	ALUFVYODUQGLAF-IAGOWNOFSA-N	1	0	359.470	2.000	20	30		FDEDRO
COc1ccnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)c1	ZINC001086668079	940565300	/nfs/dbraw/zinc/56/53/00/940565300.db2.gz	GBJOFGNHESAYBF-DZGCQCFKSA-N	1	0	353.426	1.978	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)C)CC1	ZINC001131421679	940566322	/nfs/dbraw/zinc/56/63/22/940566322.db2.gz	QEQCWMJSEVGUSM-OIISXLGYSA-N	1	0	351.491	1.319	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CSC(C)C)CC1	ZINC001131429827	940567533	/nfs/dbraw/zinc/56/75/33/940567533.db2.gz	ZDGRTWLSPCQAPW-MJGOQNOKSA-N	1	0	368.543	1.764	20	30		FDEDRO
C=CCOCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCOC)CC1	ZINC001131467824	940624376	/nfs/dbraw/zinc/62/43/76/940624376.db2.gz	SCMKOYKKDOIXGS-QUCCMNQESA-N	1	0	368.518	1.991	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CCOCC2)CC1	ZINC001131470737	940626512	/nfs/dbraw/zinc/62/65/12/940626512.db2.gz	QOUQEQONZMXKMP-QUCCMNQESA-N	1	0	365.518	1.271	20	30		FDEDRO
CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C#CC(C)(C)C)CC1	ZINC001131496313	940647507	/nfs/dbraw/zinc/64/75/07/940647507.db2.gz	URORXKGCHJTXFB-APWZRJJASA-N	1	0	363.502	1.158	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOC)CC1	ZINC001131500468	940651140	/nfs/dbraw/zinc/65/11/40/940651140.db2.gz	XIGUISZPEOBQPU-YRXWBPOGSA-N	1	0	366.502	1.600	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2ccccn2)CC1	ZINC001131503290	940653675	/nfs/dbraw/zinc/65/36/75/940653675.db2.gz	WLOJIWIDUVXWPC-DBVUQKKJSA-N	1	0	371.481	1.606	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1)OCC	ZINC001131510358	940658790	/nfs/dbraw/zinc/65/87/90/940658790.db2.gz	CVTLIXQLWGWDLF-HBFSDRIKSA-N	1	0	368.518	1.726	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccn(C)c(=O)c2)CC1	ZINC001131519738	940689369	/nfs/dbraw/zinc/68/93/69/940689369.db2.gz	WRACYSGXGKAJFG-MJGOQNOKSA-N	1	0	359.470	1.561	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(COC)CC2)CC1	ZINC001131531753	940700953	/nfs/dbraw/zinc/70/09/53/940700953.db2.gz	GORCZGWGCUHFGW-MSOLQXFVSA-N	1	0	366.502	1.601	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c[nH]c(=O)n2C)CC1	ZINC001131541250	940715262	/nfs/dbraw/zinc/71/52/62/940715262.db2.gz	FTOXVERFROSLJI-WBVHZDCISA-N	1	0	362.474	1.691	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCC(=O)N2C)CC1	ZINC001131543616	940719611	/nfs/dbraw/zinc/71/96/11/940719611.db2.gz	LDMDXHTUDICRDD-AOIWGVFYSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](F)C(C)C)CC1	ZINC001131543989	940720131	/nfs/dbraw/zinc/72/01/31/940720131.db2.gz	YJEFBTURWGCGJR-NXHRZFHOSA-N	1	0	369.481	1.268	20	30		FDEDRO
C=CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NCCC)CC1	ZINC001131555393	940730368	/nfs/dbraw/zinc/73/03/68/940730368.db2.gz	CLWAOVBJQYMVSN-XLIONFOSSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=C1CC(C)(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC#CCOC)CC2)C1	ZINC001131560085	940734172	/nfs/dbraw/zinc/73/41/72/940734172.db2.gz	WTOGUNBXJGFUQL-MOPGFXCFSA-N	1	0	360.498	1.978	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2cc(C)on2)CC1	ZINC001131562175	940736072	/nfs/dbraw/zinc/73/60/72/940736072.db2.gz	NPFCLDKEZRGZRX-QUCCMNQESA-N	1	0	359.470	1.925	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N(C)C)CC1	ZINC001131572970	940748796	/nfs/dbraw/zinc/74/87/96/940748796.db2.gz	PKUJTBAHYMKTTQ-AEFFLSMTSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCF)CC1	ZINC001131574945	940751662	/nfs/dbraw/zinc/75/16/62/940751662.db2.gz	LZKOFUMPSHJVOA-SQNIBIBYSA-N	1	0	369.481	1.413	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC(=O)N(C)C)CC1	ZINC001131574970	940752161	/nfs/dbraw/zinc/75/21/61/940752161.db2.gz	NEPCIGNYBQKFOY-VPWXQRGCSA-N	1	0	365.518	1.805	20	30		FDEDRO
C=CCn1cc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC#CC)CC2)nn1	ZINC001131577881	940754549	/nfs/dbraw/zinc/75/45/49/940754549.db2.gz	HHYYEWHMUYOCMN-AEFFLSMTSA-N	1	0	357.458	1.087	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)C1=O	ZINC001131592454	940763377	/nfs/dbraw/zinc/76/33/77/940763377.db2.gz	ISFHOFCIQMASCT-IPMKNSEASA-N	1	0	370.497	1.349	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2cncn2C)CC1	ZINC001131592968	940764000	/nfs/dbraw/zinc/76/40/00/940764000.db2.gz	FFVFXYWNSVBSRV-QUCCMNQESA-N	1	0	360.502	1.915	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCOCCOCC)CC1	ZINC001131597028	940780409	/nfs/dbraw/zinc/78/04/09/940780409.db2.gz	HHVFUPFVGVAMLB-QUCCMNQESA-N	1	0	366.502	1.439	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(CC=C)CCOCC2)CC1	ZINC001131599713	940783185	/nfs/dbraw/zinc/78/31/85/940783185.db2.gz	IMIPRCCXPUIFSU-MOPGFXCFSA-N	1	0	360.498	1.978	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCC(=O)N(C)C)CC1	ZINC001131600136	940783898	/nfs/dbraw/zinc/78/38/98/940783898.db2.gz	YMULFXNRZWWFDC-XLIONFOSSA-N	1	0	365.518	1.807	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cncnc2C2CC2)CC1	ZINC001131600099	940783997	/nfs/dbraw/zinc/78/39/97/940783997.db2.gz	XLMMBMUOGVQNGJ-QUCCMNQESA-N	1	0	368.481	1.977	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CN(CC)CCO2)CC1	ZINC001131606797	940784511	/nfs/dbraw/zinc/78/45/11/940784511.db2.gz	GNJAEYRKJQRIMW-QYZOEREBSA-N	1	0	365.518	1.269	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCNC(N)=O)CC1	ZINC001131602575	940785723	/nfs/dbraw/zinc/78/57/23/940785723.db2.gz	XUCOWOCCXZKDHQ-KYJSFNMBSA-N	1	0	366.506	1.385	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@](C)(NC(C)=O)C(C)C)CC1	ZINC001131608506	940788128	/nfs/dbraw/zinc/78/81/28/940788128.db2.gz	CGSUNPHGQUPBPI-WSTZPKSXSA-N	1	0	363.502	1.156	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)[C@H]1CCCO1	ZINC000809310363	940814909	/nfs/dbraw/zinc/81/49/09/940814909.db2.gz	RDDJAVXCOPLYFL-GBESFXJTSA-N	1	0	369.465	1.016	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=O)Nc2cnn(CC[NH+](C)C)c2)c1	ZINC000747558253	940830724	/nfs/dbraw/zinc/83/07/24/940830724.db2.gz	SXEIVFZGVLCVBB-UHFFFAOYSA-N	1	0	354.414	1.186	20	30		FDEDRO
CC(C)(C#N)CS(=O)(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO	ZINC000809396783	940836004	/nfs/dbraw/zinc/83/60/04/940836004.db2.gz	QFQZOHBFGNYHGA-QGZVFWFLSA-N	1	0	365.499	1.612	20	30		FDEDRO
CCS(=O)(=O)NC1CC[NH+](Cc2ccc(O[C@H](C)C#N)cc2)CC1	ZINC000809736427	940888858	/nfs/dbraw/zinc/88/88/58/940888858.db2.gz	UOTVPOJRDLVOCD-CQSZACIVSA-N	1	0	351.472	1.881	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)cc1	ZINC000809705470	940889245	/nfs/dbraw/zinc/88/92/45/940889245.db2.gz	TZDHQNDMQLMWNI-WTANOLMUSA-N	1	0	356.426	1.930	20	30		FDEDRO
C#C[C@H](C)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C	ZINC000809806767	940898344	/nfs/dbraw/zinc/89/83/44/940898344.db2.gz	HAEMBEDCQJFJSK-KRWDZBQOSA-N	1	0	352.486	1.638	20	30		FDEDRO
CN(c1ccc(OCC[NH+](C)C)cc1)S(=O)(=O)c1cncc(C#N)c1	ZINC000810048019	940940532	/nfs/dbraw/zinc/94/05/32/940940532.db2.gz	SLWBZKZMBFEDIA-UHFFFAOYSA-N	1	0	360.439	1.719	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1=O	ZINC001086676861	940949497	/nfs/dbraw/zinc/94/94/97/940949497.db2.gz	YKIVIFCSDQOGPE-LXZKKBNFSA-N	1	0	355.442	1.161	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1	ZINC000810068411	940951552	/nfs/dbraw/zinc/95/15/52/940951552.db2.gz	OLDZBCVKDGPJBS-STQMWFEESA-N	1	0	362.396	1.385	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@H](F)C2CN(C(=O)OC(C)(C)C)C2)CC1	ZINC000810119507	940959478	/nfs/dbraw/zinc/95/94/78/940959478.db2.gz	UDKIXDFJLQNVGM-CYBMUJFWSA-N	1	0	354.426	1.296	20	30		FDEDRO
C#Cc1ccccc1Cc1nc(CC(=O)N2CCC([NH+](C)C)CC2)no1	ZINC000810309440	940974941	/nfs/dbraw/zinc/97/49/41/940974941.db2.gz	PLABCLLYQLHWFS-UHFFFAOYSA-N	1	0	352.438	1.737	20	30		FDEDRO
Cn1ncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3F)C2)c1N	ZINC001086679289	941015198	/nfs/dbraw/zinc/01/51/98/941015198.db2.gz	KBHZGSZOIBVPBN-DZGCQCFKSA-N	1	0	370.432	1.701	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)O[C@@H]1CCCN(c2cc[nH+]c(N)n2)C1	ZINC000810762164	941053234	/nfs/dbraw/zinc/05/32/34/941053234.db2.gz	ZVEUATFSQMOIJV-UKRRQHHQSA-N	1	0	367.409	1.910	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3nccc(C)n3)C2)C1=O	ZINC001086685017	941063360	/nfs/dbraw/zinc/06/33/60/941063360.db2.gz	QFAPZMGNPHWUCK-ARFHVFGLSA-N	1	0	357.458	1.060	20	30		FDEDRO
CCn1ncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)n1	ZINC001086690231	941099154	/nfs/dbraw/zinc/09/91/54/941099154.db2.gz	APJOSIINFXBKPV-DLBZAZTESA-N	1	0	352.442	1.858	20	30		FDEDRO
C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(C)cc2Cl)C1	ZINC001195222641	970778163	/nfs/dbraw/zinc/77/81/63/970778163.db2.gz	RWCJHGPEFHFKBH-IAGOWNOFSA-N	1	0	352.862	1.934	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1=O	ZINC001132858714	941138637	/nfs/dbraw/zinc/13/86/37/941138637.db2.gz	GERYFDSDSZKXCS-UPJWGTAASA-N	1	0	367.902	1.998	20	30		FDEDRO
C[C@H]1C(N=Nc2ccc(S(N)(=O)=O)cn2)CC[N@@H+]1Cc1ccccc1	ZINC000811638591	941147574	/nfs/dbraw/zinc/14/75/74/941147574.db2.gz	RVGWAQOZYXADGN-ZDUSSCGKSA-N	1	0	359.455	1.791	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cn(CC)nn2)C1	ZINC001086699139	941170377	/nfs/dbraw/zinc/17/03/77/941170377.db2.gz	WBVBJUDQTGLWCI-IDCNUPLLSA-N	1	0	361.490	1.654	20	30		FDEDRO
CSC1(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC[NH+](C)CC1	ZINC000811943932	941173868	/nfs/dbraw/zinc/17/38/68/941173868.db2.gz	PKEHQSYTWPHEEB-HNNXBMFYSA-N	1	0	351.520	1.196	20	30		FDEDRO
C[C@@H]1CNC(NN=C2CCN(C(=O)OC(C)(C)C)C[C@H]2[C@@H]2CCOC2)=[NH+]1	ZINC000812227459	941187219	/nfs/dbraw/zinc/18/72/19/941187219.db2.gz	CZACVHGIXLAYJR-MCIONIFRSA-N	1	0	365.478	1.573	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(=O)N(C)[C@@H](C)c2ccccc2OC)CC1	ZINC000747816767	941271808	/nfs/dbraw/zinc/27/18/08/941271808.db2.gz	VZQBUJSURJOPHJ-INIZCTEOSA-N	1	0	371.481	1.676	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)CC1	ZINC000747818210	941273341	/nfs/dbraw/zinc/27/33/41/941273341.db2.gz	JRDXYVOLMBUJSW-HNNXBMFYSA-N	1	0	359.445	1.807	20	30		FDEDRO
CN1C[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)CC1=O	ZINC001086710826	941360386	/nfs/dbraw/zinc/36/03/86/941360386.db2.gz	MSCKHVGVQSLOMI-MELADBBJSA-N	1	0	360.483	1.473	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC1(c2ccccc2)CC1	ZINC001134062015	941540843	/nfs/dbraw/zinc/54/08/43/941540843.db2.gz	NYMDAOMWYJNKNX-MSOLQXFVSA-N	1	0	371.481	1.131	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NCc1ccc(F)cc1	ZINC001134062420	941541187	/nfs/dbraw/zinc/54/11/87/941541187.db2.gz	ZZYFPKMXDFJCPL-XYPHTWIQSA-N	1	0	363.433	1.127	20	30		FDEDRO
C#Cc1cccc(NC(=O)NC(=O)CN2CC[NH+](C(C)(C)COC)CC2)c1	ZINC001195324297	970817314	/nfs/dbraw/zinc/81/73/14/970817314.db2.gz	OINSVQXBATTWCJ-UHFFFAOYSA-N	1	0	372.469	1.359	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCCC2=O)C1	ZINC001086717203	941557428	/nfs/dbraw/zinc/55/74/28/941557428.db2.gz	LNNNMTVBXYDFIR-DLBZAZTESA-N	1	0	358.486	1.785	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc4n(n3)CCO4)C2)s1	ZINC001086718771	941579018	/nfs/dbraw/zinc/57/90/18/941579018.db2.gz	RDFHNVOTCXXUHT-QWHCGFSZSA-N	1	0	371.466	1.897	20	30		FDEDRO
C=C[C@H](O)C(=O)OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1	ZINC000814549037	941674705	/nfs/dbraw/zinc/67/47/05/941674705.db2.gz	ARZHBEVANUGZJO-HNNXBMFYSA-N	1	0	350.440	1.264	20	30		FDEDRO
CC(=NNc1nc2c(cnn2C)c(=O)[nH]1)c1ccc2c(c1)CC[NH2+]CC2	ZINC000814848581	941731017	/nfs/dbraw/zinc/73/10/17/941731017.db2.gz	XJCWZTDBAXGJGX-UHFFFAOYSA-N	1	0	351.414	1.593	20	30		FDEDRO
C#CCNC(=O)CC[N@@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1	ZINC000815073379	941773812	/nfs/dbraw/zinc/77/38/12/941773812.db2.gz	KWZFMSIYOSYCAE-INIZCTEOSA-N	1	0	353.422	1.767	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1cc(Cl)cc(C(=O)OCC)c1	ZINC000815082360	941777159	/nfs/dbraw/zinc/77/71/59/941777159.db2.gz	MSOOYNXMPRUDEH-UHFFFAOYSA-N	1	0	372.874	1.750	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1	ZINC000815082551	941777228	/nfs/dbraw/zinc/77/72/28/941777228.db2.gz	YBKTUMWUYBHVAK-KRWDZBQOSA-N	1	0	369.531	1.042	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(Br)cc1C	ZINC000815082837	941777345	/nfs/dbraw/zinc/77/73/45/941777345.db2.gz	HMPPCHUVVBOPTB-UHFFFAOYSA-N	1	0	359.289	1.991	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1cc2c(cc1Cl)CCC2=O	ZINC000815082410	941777720	/nfs/dbraw/zinc/77/77/20/941777720.db2.gz	PBNUHILCSUTFAC-UHFFFAOYSA-N	1	0	354.859	1.702	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1cccc(OC(F)(F)F)c1F	ZINC000815082149	941777760	/nfs/dbraw/zinc/77/77/60/941777760.db2.gz	BOGWBWDXOIDMFR-UHFFFAOYSA-N	1	0	368.352	1.958	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(Br)ccc1F	ZINC000815083437	941778371	/nfs/dbraw/zinc/77/83/71/941778371.db2.gz	YRKOPDMQKMNTRV-UHFFFAOYSA-N	1	0	363.252	1.822	20	30		FDEDRO
C#CCNC(=O)CC[N@@H+](C)[C@H](C)c1cccc(N2CCCS2(=O)=O)c1	ZINC000815095109	941782610	/nfs/dbraw/zinc/78/26/10/941782610.db2.gz	MQHGARJWQLJFND-OAHLLOKOSA-N	1	0	363.483	1.359	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)Nc1nccs1	ZINC001135058091	941874139	/nfs/dbraw/zinc/87/41/39/941874139.db2.gz	DLEDADWPGALFMU-IHRRRGAJSA-N	1	0	366.487	1.547	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)Nc1cc(C)no1	ZINC001135052872	941879044	/nfs/dbraw/zinc/87/90/44/941879044.db2.gz	SMDMJLWASPTBBH-DZKIICNBSA-N	1	0	364.446	1.387	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F	ZINC001135065064	941881435	/nfs/dbraw/zinc/88/14/35/941881435.db2.gz	UECSDDYDKSNQFG-RDBSUJKOSA-N	1	0	368.396	1.003	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC1CCCCCC1	ZINC001135145965	941930064	/nfs/dbraw/zinc/93/00/64/941930064.db2.gz	XLJVJGONKBOAIE-WMZOPIPTSA-N	1	0	351.491	1.512	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc1	ZINC000815733883	941956996	/nfs/dbraw/zinc/95/69/96/941956996.db2.gz	HXUYTDQROJBVMA-MRXNPFEDSA-N	1	0	369.465	1.970	20	30		FDEDRO
CCc1ccc(C#CC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1	ZINC000815825888	941980987	/nfs/dbraw/zinc/98/09/87/941980987.db2.gz	OOZPBYKSJICORW-IBGZPJMESA-N	1	0	353.466	1.366	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(N2CCCC2)cc1C	ZINC000815860083	941996333	/nfs/dbraw/zinc/99/63/33/941996333.db2.gz	WLWVXYPFBAWUPJ-UHFFFAOYSA-N	1	0	356.470	1.605	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(-c2ncco2)c1C	ZINC000815860405	941996462	/nfs/dbraw/zinc/99/64/62/941996462.db2.gz	KAZRUVOWSYIKRW-UHFFFAOYSA-N	1	0	354.410	1.660	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)O1	ZINC001086731923	942004217	/nfs/dbraw/zinc/00/42/17/942004217.db2.gz	KVYDRNOGDOLQNU-WOUAJJJCSA-N	1	0	370.497	1.652	20	30		FDEDRO
C=CCOc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H]3CCN(C)C3=O)C2)cc1	ZINC001086735858	942104702	/nfs/dbraw/zinc/10/47/02/942104702.db2.gz	QZMHSMXFVRBCJS-KVSKMBFKSA-N	1	0	371.481	1.970	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ncccc3CC)C2)C1=O	ZINC001086739256	942159687	/nfs/dbraw/zinc/15/96/87/942159687.db2.gz	PTFJYMPAPQPBQO-JQHSSLGASA-N	1	0	370.497	1.919	20	30		FDEDRO
C#CC[C@]1(C(=O)N2CCC3(C[NH+](C)C3)C2)CCCN1C(=O)OC(C)(C)C	ZINC000816354519	942165649	/nfs/dbraw/zinc/16/56/49/942165649.db2.gz	KUNKYBNDMILYCW-HXUWFJFHSA-N	1	0	361.486	1.944	20	30		FDEDRO
Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2	ZINC000816531680	942244017	/nfs/dbraw/zinc/24/40/17/942244017.db2.gz	ZVMRWZWAPLCELW-HNNXBMFYSA-N	1	0	353.426	1.370	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(=O)n(CCOC)n2)C1	ZINC001086751590	942285894	/nfs/dbraw/zinc/28/58/94/942285894.db2.gz	VHOZMQFMQMAPMO-UONOGXRCSA-N	1	0	368.865	1.130	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H]3CCCN(C)C3=O)C2)cc1	ZINC001086773850	942462576	/nfs/dbraw/zinc/46/25/76/942462576.db2.gz	JLDJKHKNTHHFFY-QXAKKESOSA-N	1	0	353.466	1.777	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCNC3=O)C2)cc1F	ZINC001086776298	942472218	/nfs/dbraw/zinc/47/22/18/942472218.db2.gz	BGCTXTCSFYGGBD-APHBMKBZSA-N	1	0	358.417	1.208	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1	ZINC001086779088	942477369	/nfs/dbraw/zinc/47/73/69/942477369.db2.gz	XDWFSEZIJUSVHS-MIUYYNPUSA-N	1	0	357.429	1.964	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cnc(C)n3C)C2)C1=O	ZINC001086786361	942511369	/nfs/dbraw/zinc/51/13/69/942511369.db2.gz	XLPYCWPMSTXSJW-ARFHVFGLSA-N	1	0	359.474	1.004	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1	ZINC000817172156	942606294	/nfs/dbraw/zinc/60/62/94/942606294.db2.gz	UKKKKYBOIFDFJC-FQEVSTJZSA-N	1	0	361.445	1.675	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC1CCC([NH+](C)C)CC1	ZINC000817399941	942758227	/nfs/dbraw/zinc/75/82/27/942758227.db2.gz	CVVZASFTBTZPGL-UHFFFAOYSA-N	1	0	361.417	1.765	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1	ZINC000817419865	942771630	/nfs/dbraw/zinc/77/16/30/942771630.db2.gz	MBYDEPPSZHCPAP-IBGZPJMESA-N	1	0	369.465	1.044	20	30		FDEDRO
C=CCCN(OCc1ccccc1)C(=O)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1	ZINC000817985068	943118744	/nfs/dbraw/zinc/11/87/44/943118744.db2.gz	GHSFVEMLEMICJS-OXQOHEQNSA-N	1	0	359.470	1.966	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC23CC(C2)CN3C(=O)OC(C)(C)C)CC1	ZINC000856188161	970970850	/nfs/dbraw/zinc/97/08/50/970970850.db2.gz	OHLFVVFICVCHAG-UHFFFAOYSA-N	1	0	361.486	1.847	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccn(CC)n3)C2)C1=O	ZINC001086819795	943234271	/nfs/dbraw/zinc/23/42/71/943234271.db2.gz	AUKKNZDCKFDCAM-ZMSDIMECSA-N	1	0	359.474	1.178	20	30		FDEDRO
C[NH2+]C[C@H](C)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1	ZINC000818490956	943256139	/nfs/dbraw/zinc/25/61/39/943256139.db2.gz	OPSHEESCJXXRNU-OGAOFSLMSA-N	1	0	352.460	1.293	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@H]1CC(=O)N(c2ccc(OCC)cc2)C1	ZINC000818589157	943297176	/nfs/dbraw/zinc/29/71/76/943297176.db2.gz	SHXUMHHGNDBUGQ-INIZCTEOSA-N	1	0	357.454	1.510	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1	ZINC000818609473	943331110	/nfs/dbraw/zinc/33/11/10/943331110.db2.gz	ZBIOVWBIVRQMKG-GOSISDBHSA-N	1	0	357.454	1.716	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C[C@@H]1COCCN1C(=O)OC(C)(C)C	ZINC000818609088	943331751	/nfs/dbraw/zinc/33/17/51/943331751.db2.gz	KITPMOMMLCADEW-OAHLLOKOSA-N	1	0	353.463	1.084	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(-n3ccnc3)nc2)cc1	ZINC000818951647	943360886	/nfs/dbraw/zinc/36/08/86/943360886.db2.gz	MFWLTBPTMVMDSM-GOSISDBHSA-N	1	0	363.421	1.863	20	30		FDEDRO
N#Cc1ccc(NCC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)nc1	ZINC000818952476	943361663	/nfs/dbraw/zinc/36/16/63/943361663.db2.gz	NBPHBZAGDJJYLR-HNNXBMFYSA-N	1	0	357.370	1.303	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCn3nc(C)cc3C)C2)nn1	ZINC001086823727	943369448	/nfs/dbraw/zinc/36/94/48/943369448.db2.gz	SIUANJGNWKMDPI-DLBZAZTESA-N	1	0	371.489	1.466	20	30		FDEDRO
C[C@@]1(c2ccc(C[NH2+]C[C@@H](O)c3ccc(C#N)cc3)cc2)NC(=O)NC1=O	ZINC000818997577	943377560	/nfs/dbraw/zinc/37/75/60/943377560.db2.gz	GEXWMSPSWLBZNV-XLIONFOSSA-N	1	0	364.405	1.436	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[N@H+](CCCOc2ccc(F)cc2)C[C@H]1O	ZINC001195484608	970986779	/nfs/dbraw/zinc/98/67/79/970986779.db2.gz	ZJIKJKGVXYDNLO-RTBURBONSA-N	1	0	362.445	1.950	20	30		FDEDRO
CN(C)c1ccc(NC(=O)CC[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1	ZINC000819050305	943395267	/nfs/dbraw/zinc/39/52/67/943395267.db2.gz	RMQCJAWDLVWWAC-HNENSFHCSA-N	1	0	371.441	1.197	20	30		FDEDRO
Cc1ccc(C)c(OC[C@H](O)C[NH2+]CCNC(=O)C2N=CC=CC2=O)c1C	ZINC000819053789	943396268	/nfs/dbraw/zinc/39/62/68/943396268.db2.gz	KZHDATZVCXBPCR-OSCRUYLVSA-N	1	0	373.453	1.468	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)cc1	ZINC000819060824	943400134	/nfs/dbraw/zinc/40/01/34/943400134.db2.gz	IOORQHIHVDZRES-CTNGQTDRSA-N	1	0	373.497	1.725	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1	ZINC000819122712	943450157	/nfs/dbraw/zinc/45/01/57/943450157.db2.gz	YLOPQYISNLPFRI-QGZVFWFLSA-N	1	0	364.465	1.083	20	30		FDEDRO
C[C@@H]1CN(CCNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CCO1	ZINC000819211116	943487848	/nfs/dbraw/zinc/48/78/48/943487848.db2.gz	SLGGFOJSMHPVKP-HUUCEWRRSA-N	1	0	368.478	1.410	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+]C[C@H](O)c1ccc(F)c(Br)c1	ZINC000819221638	943494436	/nfs/dbraw/zinc/49/44/36/943494436.db2.gz	GDWSGUVVGWMNLO-ZDUSSCGKSA-N	1	0	366.252	1.812	20	30		FDEDRO
C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C[C@@H](O)CN(C)CCC#N	ZINC000819266129	943517310	/nfs/dbraw/zinc/51/73/10/943517310.db2.gz	WCORLXCRVHKIDG-OAGGEKHMSA-N	1	0	354.495	1.428	20	30		FDEDRO
CCOC(=O)c1cccc(OC[C@H](O)C[NH2+]Cc2ccc(C#N)cn2)c1	ZINC000819311993	943543555	/nfs/dbraw/zinc/54/35/55/943543555.db2.gz	NTXWJCFLTXATEO-QGZVFWFLSA-N	1	0	355.394	1.659	20	30		FDEDRO
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC000856253327	971010318	/nfs/dbraw/zinc/01/03/18/971010318.db2.gz	KELGWFQHMLQZEQ-DNVCBOLYSA-N	1	0	365.474	1.306	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CC[NH+]2CCC1CC2	ZINC000819508019	943619909	/nfs/dbraw/zinc/61/99/09/943619909.db2.gz	HWGRZRVIZYGFCR-HNNXBMFYSA-N	1	0	350.463	1.880	20	30		FDEDRO
CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CCCN(O)C3=O)cc2)CC1	ZINC000820476527	944065103	/nfs/dbraw/zinc/06/51/03/944065103.db2.gz	MLJQHQMCGJQXKR-QGZVFWFLSA-N	1	0	360.458	1.327	20	30		FDEDRO
C#C[C@H](NC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1)c1ccc(F)cc1	ZINC000820496066	944073247	/nfs/dbraw/zinc/07/32/47/944073247.db2.gz	SUTZBIVCJFLWBW-SFHVURJKSA-N	1	0	374.460	1.696	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccccc3OCC#N)CC2)C1=O	ZINC000820622300	944123071	/nfs/dbraw/zinc/12/30/71/944123071.db2.gz	NNPSLGXGQMEPKP-MRXNPFEDSA-N	1	0	356.426	1.014	20	30		FDEDRO
C#CCN(CC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)C(=O)OC(C)(C)C	ZINC000856429004	971146210	/nfs/dbraw/zinc/14/62/10/971146210.db2.gz	CJNPUPDNCVNBIB-INIZCTEOSA-N	1	0	367.490	1.426	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)CCC[NH+]1CCCCC1	ZINC001090718608	945959897	/nfs/dbraw/zinc/95/98/97/945959897.db2.gz	LJZGYJGINHJKBQ-NVXWUHKLSA-N	1	0	356.474	1.555	20	30		FDEDRO
C=CC[N@@H+](CCc1ccco1)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1	ZINC000823909553	946515683	/nfs/dbraw/zinc/51/56/83/946515683.db2.gz	INMPGSOMUBCZGL-INIZCTEOSA-N	1	0	369.425	1.930	20	30		FDEDRO
C#CCN(C(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CC[NH+](CC[C@@H](C)F)CC1	ZINC001573281603	946677229	/nfs/dbraw/zinc/67/72/29/946677229.db2.gz	AKBBQWKKIGIXCZ-CYBMUJFWSA-N	1	0	373.436	1.483	20	30		FDEDRO
C#CCCCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573284803	946757532	/nfs/dbraw/zinc/75/75/32/946757532.db2.gz	MBRGIMDQZRCKRP-INIZCTEOSA-N	1	0	352.442	1.703	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CCCCNc1ccc(Br)c[n+]1[O-]	ZINC001171069894	946814879	/nfs/dbraw/zinc/81/48/79/946814879.db2.gz	RFWFUZNCBVNPRT-LBPRGKRZSA-N	1	0	358.236	1.721	20	30		FDEDRO
C=C(Br)C[NH2+][C@H](C)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001573292009	946927165	/nfs/dbraw/zinc/92/71/65/946927165.db2.gz	MRZGXNOCTAYQBD-SECBINFHSA-N	1	0	368.239	1.154	20	30		FDEDRO
C[C@@H]1CN(c2snc(Cl)c2C#N)C[C@H]1NC(=O)CCC[NH+](C)C	ZINC001090809590	946932240	/nfs/dbraw/zinc/93/22/40/946932240.db2.gz	IYCSSLPPYSMFRB-ZYHUDNBSSA-N	1	0	355.895	1.951	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)CC(C)(C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1	ZINC001573561077	946960249	/nfs/dbraw/zinc/96/02/49/946960249.db2.gz	IOLMKAYSUMOJBV-GFCCVEGCSA-N	1	0	373.436	1.740	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C(C)(C)C1	ZINC001573560988	946960540	/nfs/dbraw/zinc/96/05/40/946960540.db2.gz	IHFCPZZDMSSJON-ABAIWWIYSA-N	1	0	371.420	1.492	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CC1	ZINC001573562625	946977088	/nfs/dbraw/zinc/97/70/88/946977088.db2.gz	VGQTVNUDCJXSLJ-BDJLRTHQSA-N	1	0	371.420	1.492	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC2(C1)CC[N@H+](Cc1cc(F)ccc1-c1nn[nH]n1)C2	ZINC001573564143	946990526	/nfs/dbraw/zinc/99/05/26/946990526.db2.gz	GPWMSOZOOFDKLN-GFCCVEGCSA-N	1	0	369.404	1.200	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC2(C1)CC[NH+](Cc1ccccc1-c1nn[nH]n1)CC2	ZINC001573564604	946994851	/nfs/dbraw/zinc/99/48/51/946994851.db2.gz	JRHUDTVNVCEXGZ-AWEZNQCLSA-N	1	0	365.441	1.451	20	30		FDEDRO
COc1cc(C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)ccc1C#N	ZINC000825155327	947021086	/nfs/dbraw/zinc/02/10/86/947021086.db2.gz	CUQMBQQXEQGAAR-UHFFFAOYSA-N	1	0	361.442	1.912	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC2(C1)CCN(c1cc[nH+]cc1-c1nn[nH]n1)CC2	ZINC001573566282	947021295	/nfs/dbraw/zinc/02/12/95/947021295.db2.gz	AMLXCOVFSFPESR-CYBMUJFWSA-N	1	0	366.429	1.240	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCCCC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573566609	947027222	/nfs/dbraw/zinc/02/72/22/947027222.db2.gz	DSBHZUMIKBEPFU-PBHICJAKSA-N	1	0	367.457	1.887	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccccc1-c1nn[nH]n1	ZINC001573566723	947028767	/nfs/dbraw/zinc/02/87/67/947028767.db2.gz	GAUJFMDNIOOBGL-ZFWWWQNUSA-N	1	0	353.430	1.449	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573566703	947029068	/nfs/dbraw/zinc/02/90/68/947029068.db2.gz	FUXABZBSOXLYMU-WFASDCNBSA-N	1	0	371.420	1.588	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCCCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573567308	947044499	/nfs/dbraw/zinc/04/44/99/947044499.db2.gz	LUQGSADLTYUNLK-QWHCGFSZSA-N	1	0	354.418	1.026	20	30		FDEDRO
C=C1CC(C)(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573296960	947059641	/nfs/dbraw/zinc/05/96/41/947059641.db2.gz	CRAQJRHQZXRHQW-GFCCVEGCSA-N	1	0	358.421	1.956	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C(C)(C)C	ZINC001573297336	947061044	/nfs/dbraw/zinc/06/10/44/947061044.db2.gz	GFMJJMGTOPNSIL-GFCCVEGCSA-N	1	0	351.842	1.681	20	30		FDEDRO
C#Cc1cccc(C[NH2+]Cc2cc(OC)c(OCC(N)=O)c(OC)c2)c1	ZINC000825225936	947063358	/nfs/dbraw/zinc/06/33/58/947063358.db2.gz	BNHBAZISGUMKHB-UHFFFAOYSA-N	1	0	354.406	1.839	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@](C)(C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CC1	ZINC001573569541	947071603	/nfs/dbraw/zinc/07/16/03/947071603.db2.gz	AWJJGGXDWYVSNW-MGPLVRAMSA-N	1	0	359.459	1.462	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21	ZINC001573569597	947073877	/nfs/dbraw/zinc/07/38/77/947073877.db2.gz	CBXVMQJBMFZADK-UKPHBRMFSA-N	1	0	365.441	1.449	20	30		FDEDRO
C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001573298612	947080496	/nfs/dbraw/zinc/08/04/96/947080496.db2.gz	QKAQSNLEPWWLBN-UHFFFAOYSA-N	1	0	351.842	1.635	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@](C)(C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CC1	ZINC001573570031	947081443	/nfs/dbraw/zinc/08/14/43/947081443.db2.gz	IPNMXMAPWOIOFH-ZMZPIMSZSA-N	1	0	371.420	1.540	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573570095	947083432	/nfs/dbraw/zinc/08/34/32/947083432.db2.gz	KOTTVDBRXCYCHM-UEKVPHQBSA-N	1	0	357.393	1.102	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)[C@H](C)C1	ZINC001573570489	947087739	/nfs/dbraw/zinc/08/77/39/947087739.db2.gz	QCGGWXRTXICQKX-YRGRVCCFSA-N	1	0	371.420	1.350	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CC[NH2+]C2(C)C)ccc1F	ZINC000825256880	947092331	/nfs/dbraw/zinc/09/23/31/947092331.db2.gz	KSCFDPJMYGRGEM-AWEZNQCLSA-N	1	0	355.435	1.160	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)n1	ZINC001090842816	947098841	/nfs/dbraw/zinc/09/88/41/947098841.db2.gz	XCPSCLFWLNQCGM-XOKHGSTOSA-N	1	0	356.474	1.472	20	30		FDEDRO
C[C@H](C#N)C(=O)NC1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1	ZINC001573571731	947102460	/nfs/dbraw/zinc/10/24/60/947102460.db2.gz	AJIOIBIPQYIKJP-VOMCLLRMSA-N	1	0	359.459	1.605	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC1(C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCCC1	ZINC001573572743	947115728	/nfs/dbraw/zinc/11/57/28/947115728.db2.gz	JRLDDCAETHGLBR-LBPRGKRZSA-N	1	0	371.420	1.684	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC001573573431	947122432	/nfs/dbraw/zinc/12/24/32/947122432.db2.gz	NGFOKDHOSYHNPH-CJNGLKHVSA-N	1	0	353.430	1.497	20	30		FDEDRO
C=CC(C)(C)C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573305280	947151861	/nfs/dbraw/zinc/15/18/61/947151861.db2.gz	OXLSSWDZVYDIJJ-IBGZPJMESA-N	1	0	370.457	1.132	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001573305849	947163634	/nfs/dbraw/zinc/16/36/34/947163634.db2.gz	GSVWUHFQXAOBID-KBXCAEBGSA-N	1	0	358.446	1.036	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC1([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCCC1	ZINC001573577522	947170077	/nfs/dbraw/zinc/17/00/77/947170077.db2.gz	QTSLVCBEWXDGQQ-GFCCVEGCSA-N	1	0	371.420	1.684	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCCC1	ZINC001573578003	947177883	/nfs/dbraw/zinc/17/78/83/947177883.db2.gz	XCQWJKJOFPOQPN-ZDUSSCGKSA-N	1	0	353.430	1.545	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCCC1	ZINC001573578116	947183155	/nfs/dbraw/zinc/18/31/55/947183155.db2.gz	YPXGVAUKVNDHKY-GFCCVEGCSA-N	1	0	371.420	1.684	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1C	ZINC001573582184	947187793	/nfs/dbraw/zinc/18/77/93/947187793.db2.gz	BSVYAECJEFGVQU-XJKCOSOUSA-N	1	0	353.430	1.210	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573309545	947203831	/nfs/dbraw/zinc/20/38/31/947203831.db2.gz	KKEILZFDDKIHEM-KSSFIOAISA-N	1	0	374.420	1.023	20	30		FDEDRO
CC(C)[N@H+](CCCNC(=O)[C@@H](C)C#N)Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573584295	947219563	/nfs/dbraw/zinc/21/95/63/947219563.db2.gz	SSCITLKRASGFEQ-AWEZNQCLSA-N	1	0	355.446	1.743	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573584567	947228027	/nfs/dbraw/zinc/22/80/27/947228027.db2.gz	YGYHABSWHQPXMG-AAEUAGOBSA-N	1	0	357.393	1.104	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H](C)C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1	ZINC001573584931	947237344	/nfs/dbraw/zinc/23/73/44/947237344.db2.gz	HPEACYFDCJNUOA-KGLIPLIRSA-N	1	0	367.457	1.743	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccc(-c3nn[nH]n3)s1)C2	ZINC001573586788	947292911	/nfs/dbraw/zinc/29/29/11/947292911.db2.gz	TUNVQTANMBCAHQ-PEBVRCNWSA-N	1	0	371.470	1.559	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1c1ccc(OC)cc1	ZINC001090863246	947313790	/nfs/dbraw/zinc/31/37/90/947313790.db2.gz	YJPQOPWKUAZZAG-DOTOQJQBSA-N	1	0	352.394	1.022	20	30		FDEDRO
C=CCn1cc(C(=O)Nc2cccc3c2CC[N@@H+](CC(C)(C)O)C3)nn1	ZINC000843853107	947337861	/nfs/dbraw/zinc/33/78/61/947337861.db2.gz	NIKMPEGLFIFBPF-UHFFFAOYSA-N	1	0	355.442	1.845	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2[NH2+]CCO)cc1	ZINC001090867188	947369225	/nfs/dbraw/zinc/36/92/25/947369225.db2.gz	DGTDCZMPYUCSMX-FUHWJXTLSA-N	1	0	354.410	1.085	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)C[C@H]1c1ccc(OC)cc1	ZINC001090867396	947370747	/nfs/dbraw/zinc/37/07/47/947370747.db2.gz	MOEVNNZUJIYXQD-OTWHNJEPSA-N	1	0	359.470	1.096	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2[NH2+]C[C@H](C)O)cc1	ZINC001090869382	947384444	/nfs/dbraw/zinc/38/44/44/947384444.db2.gz	WIZPDXXWRPGUHO-SOVGHPHASA-N	1	0	368.437	1.474	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1CCC[C@@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1	ZINC001573327412	947387150	/nfs/dbraw/zinc/38/71/50/947387150.db2.gz	DIXGOROYUADBEF-SCLBCKFNSA-N	1	0	373.461	1.106	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C2CN(C(C)=O)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090870612	947474324	/nfs/dbraw/zinc/47/43/24/947474324.db2.gz	JYAPJCHKOFBSKF-VQTJNVASSA-N	1	0	371.481	1.634	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]2NCC#N)cc1	ZINC001090874578	947477827	/nfs/dbraw/zinc/47/78/27/947477827.db2.gz	LSFQBUAMLYQCGO-IPMKNSEASA-N	1	0	356.470	1.443	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc3n2CCC3)C[C@H]1c1ccc(OC)cc1	ZINC001090874634	947478824	/nfs/dbraw/zinc/47/88/24/947478824.db2.gz	OFAQZZHPDNLRIC-ZWKOTPCHSA-N	1	0	364.449	1.669	20	30		FDEDRO
C=CCOCC[N@H+]1CCC[C@](C)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1	ZINC001573347364	947573433	/nfs/dbraw/zinc/57/34/33/947573433.db2.gz	CWXRIBDQAURNHC-GOSISDBHSA-N	1	0	373.461	1.229	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)co2)C[C@H]1c1ccc(OC)cc1	ZINC001090880716	947595691	/nfs/dbraw/zinc/59/56/91/947595691.db2.gz	GZRBQIZJFFQWBI-DLBZAZTESA-N	1	0	369.421	1.771	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H]([NH2+]CCO)C1	ZINC001090882640	947620411	/nfs/dbraw/zinc/62/04/11/947620411.db2.gz	MJKRMJBGOAMQSD-HAGHYFMRSA-N	1	0	374.481	1.553	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccn(CC)n2)C[C@H]1c1ccc(OC)cc1	ZINC001090883056	947622265	/nfs/dbraw/zinc/62/22/65/947622265.db2.gz	XFVXEEWGTLGHRK-PKOBYXMFSA-N	1	0	352.438	1.743	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1c1ccc(OC)cc1	ZINC001090885224	947658895	/nfs/dbraw/zinc/65/88/95/947658895.db2.gz	IDWTXWQCKPGSIH-DLBZAZTESA-N	1	0	370.453	1.116	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CC/C=C\c3ccccc3)C[C@H]2O)c1	ZINC001196045774	971426941	/nfs/dbraw/zinc/42/69/41/971426941.db2.gz	MXZUJWQFNQGYLV-GVBKJADDSA-N	1	0	361.445	1.941	20	30		FDEDRO
CO[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1	ZINC001090899406	947840982	/nfs/dbraw/zinc/84/09/82/947840982.db2.gz	DPJFQIPCHPKXAN-QZTJIDSGSA-N	1	0	371.485	1.539	20	30		FDEDRO
CN1C(=O)C[C@H](C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)[C@H]1c1ccc(Cl)c(F)c1	ZINC000844195459	947864921	/nfs/dbraw/zinc/86/49/21/947864921.db2.gz	UENJVRNZZWVHQF-YHYOWMERSA-N	1	0	364.808	1.226	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+](C)C[C@@](C)(O)CN(C)C(=O)OC(C)(C)C)C1=O	ZINC000844324823	947993350	/nfs/dbraw/zinc/99/33/50/947993350.db2.gz	MNVWLOYRTLOVMJ-KBXCAEBGSA-N	1	0	355.479	1.323	20	30		FDEDRO
C[N@@H+](C[C@H](O)c1cccc(C#N)c1)C[C@@H](O)CCNC(=O)OC(C)(C)C	ZINC000844371625	947999974	/nfs/dbraw/zinc/99/99/74/947999974.db2.gz	PCTITFKNGCAAMU-IRXDYDNUSA-N	1	0	363.458	1.799	20	30		FDEDRO
O=C(N[C@@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@H]1O)C1(CF)CC1	ZINC001196106301	971461293	/nfs/dbraw/zinc/46/12/93/971461293.db2.gz	CCPDBOOUUGHHRU-HZPDHXFCSA-N	1	0	350.821	1.603	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1Nc1nccnc1C#N	ZINC001090976309	948212604	/nfs/dbraw/zinc/21/26/04/948212604.db2.gz	ORTWWHZGIBEUFL-NVXWUHKLSA-N	1	0	356.474	1.873	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1Nc1ccc(C#N)nn1	ZINC001090976620	948214103	/nfs/dbraw/zinc/21/41/03/948214103.db2.gz	WZVUHDVPSVJEGS-NVXWUHKLSA-N	1	0	356.474	1.873	20	30		FDEDRO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@H](CO)[C@@H]1CCCOC1	ZINC001171143920	948264100	/nfs/dbraw/zinc/26/41/00/948264100.db2.gz	NFRFCICXTOEPEA-RHSMWYFYSA-N	1	0	369.425	1.060	20	30		FDEDRO
CC[NH+](CC)[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2cnc(C#N)cn2)C1)C(C)C	ZINC001090993463	948280732	/nfs/dbraw/zinc/28/07/32/948280732.db2.gz	IGBHGAAXGWNRGY-KYJSFNMBSA-N	1	0	358.490	1.973	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@H]3OCC[C@@H](C(=O)N4CCCO4)[C@@H]3C2)nc1	ZINC001144158827	948302878	/nfs/dbraw/zinc/30/28/78/948302878.db2.gz	QYHIFPLDDJEFCC-FGTMMUONSA-N	1	0	356.426	1.344	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](C(=O)OC)[C@@H]2CCC[C@@H](OC)C2)CC1	ZINC000844974908	948550207	/nfs/dbraw/zinc/55/02/07/948550207.db2.gz	LXHJQNIWVHPBIO-ZACQAIPSSA-N	1	0	350.459	1.195	20	30		FDEDRO
CC1(C)OC[C@@H](CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)O1	ZINC000845105450	948684239	/nfs/dbraw/zinc/68/42/39/948684239.db2.gz	WWTBBVLEIIEJJE-GOSISDBHSA-N	1	0	372.469	1.973	20	30		FDEDRO
C[N@H+](CC(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1O)CC(C)(C)C	ZINC001196200205	971535744	/nfs/dbraw/zinc/53/57/44/971535744.db2.gz	SPFGJDQHRHOPQA-QZTJIDSGSA-N	1	0	358.486	1.197	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O)[NH+]1CCCCC1	ZINC001091117760	949353372	/nfs/dbraw/zinc/35/33/72/949353372.db2.gz	RZIRRWARDTZBLH-NZSAHSFTSA-N	1	0	371.485	1.129	20	30		FDEDRO
C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(C#N)CCOCC1	ZINC000845529959	949456362	/nfs/dbraw/zinc/45/63/62/949456362.db2.gz	VAXARXHWSFYCHP-ZDUSSCGKSA-N	1	0	354.451	1.020	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC/C=C/c2ccccc2)C[C@H]1O	ZINC001196275527	971600788	/nfs/dbraw/zinc/60/07/88/971600788.db2.gz	FBWYQMBAIWDVRN-OLEOQOTOSA-N	1	0	356.466	1.842	20	30		FDEDRO
C=C(Br)C[NH2+]C1CC(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC001091151910	949724564	/nfs/dbraw/zinc/72/45/64/949724564.db2.gz	YGSIDXSWBRGLMP-OXERLZSKSA-N	1	0	355.276	1.803	20	30		FDEDRO
C=C[C@H](C)ONC(=O)N1CCC(C(=O)NCCC[NH+](CC)CC)CC1	ZINC000845640044	949732457	/nfs/dbraw/zinc/73/24/57/949732457.db2.gz	UCQSOCJHWMWVJT-HNNXBMFYSA-N	1	0	354.495	1.762	20	30		FDEDRO
C=C(Br)C[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2ccnn2C)C1	ZINC001091155716	949762797	/nfs/dbraw/zinc/76/27/97/949762797.db2.gz	QLRNEWLWZUKKIH-NWINJMCUSA-N	1	0	367.291	1.917	20	30		FDEDRO
C[C@@H](C[NH+]1CCCC1)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000845665203	949804655	/nfs/dbraw/zinc/80/46/55/949804655.db2.gz	RKRRCYIWDNKVJA-KBPBESRZSA-N	1	0	365.455	1.253	20	30		FDEDRO
Cc1nonc1CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000845739733	949822711	/nfs/dbraw/zinc/82/27/11/949822711.db2.gz	JCQUGTHAAPJPPH-UHFFFAOYSA-N	1	0	354.414	1.714	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nc(OC)cc(OC)n1)C2	ZINC001110719014	971637631	/nfs/dbraw/zinc/63/76/31/971637631.db2.gz	JZEJCTPGMSTACM-MCIONIFRSA-N	1	0	362.430	1.032	20	30		FDEDRO
Cc1nn(C)c(N2CCOCC2)c1C[N@H+](C)C[C@H](O)c1cccc(C#N)c1	ZINC000846008169	950327087	/nfs/dbraw/zinc/32/70/87/950327087.db2.gz	SGWKRMIZUCRLFE-IBGZPJMESA-N	1	0	369.469	1.602	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCC[N@@H+](C)CC(C)C	ZINC000846014352	950333787	/nfs/dbraw/zinc/33/37/87/950333787.db2.gz	GXJYSGAMXRHLEL-UHFFFAOYSA-N	1	0	363.433	1.870	20	30		FDEDRO
C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1cc(C#N)ccc1F	ZINC001574992345	950442933	/nfs/dbraw/zinc/44/29/33/950442933.db2.gz	AHRAGAQCEMLSGJ-JTQLQIEISA-N	1	0	368.376	1.114	20	30		FDEDRO
C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001574995762	950515212	/nfs/dbraw/zinc/51/52/12/950515212.db2.gz	INBMTNCBZGSXAY-SNVBAGLBSA-N	1	0	368.376	1.114	20	30		FDEDRO
C[C@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1ccc(C#N)cc1	ZINC001574755312	950596779	/nfs/dbraw/zinc/59/67/79/950596779.db2.gz	UKOJICKBMDEKRF-GFCCVEGCSA-N	1	0	364.413	1.317	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1	ZINC000846318329	950915906	/nfs/dbraw/zinc/91/59/06/950915906.db2.gz	FIYWFECXNFZKSR-LZLYRXPVSA-N	1	0	355.438	1.351	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N1CC[C@H]2CCN(c3ncc(C#N)cc3F)[C@H]2C1	ZINC001091219711	951013643	/nfs/dbraw/zinc/01/36/43/951013643.db2.gz	UOHKLSLZEBUWGG-RDJZCZTQSA-N	1	0	359.449	1.861	20	30		FDEDRO
C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]([NH2+]C1CCOCC1)C(C)C	ZINC000857311657	971713457	/nfs/dbraw/zinc/71/34/57/971713457.db2.gz	YQPFCRVYTXLEAV-QGZVFWFLSA-N	1	0	352.475	1.583	20	30		FDEDRO
N#Cc1ccccc1C[NH2+]C1CC(CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC001091237133	951185341	/nfs/dbraw/zinc/18/53/41/951185341.db2.gz	ONTOEIJVFGWKMJ-DGSCNEQVSA-N	1	0	354.454	1.444	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(C#N)n1	ZINC001091279690	951298938	/nfs/dbraw/zinc/29/89/38/951298938.db2.gz	FFVLEHYWMFYREE-ARFHVFGLSA-N	1	0	362.453	1.867	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3ccccn3)c2)C1	ZINC001196535503	971756943	/nfs/dbraw/zinc/75/69/43/971756943.db2.gz	ODOBYMLJQKGSTH-QZTJIDSGSA-N	1	0	369.469	1.789	20	30		FDEDRO
Cc1cc(OC2CC[NH2+]CC2)nc(NC(=N)c2ccc(C(N)=O)cc2)n1	ZINC001171253437	951606694	/nfs/dbraw/zinc/60/66/94/951606694.db2.gz	RYAVXBNZDUKBCR-UHFFFAOYSA-N	1	0	354.414	1.052	20	30		FDEDRO
C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1c[nH]c(C#N)c1	ZINC001575095484	951813840	/nfs/dbraw/zinc/81/38/40/951813840.db2.gz	UUPRDWLDVQULOY-LBPRGKRZSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[C@]12CN(C(=O)Cn3cccn3)C[C@H]1C[N@H+](Cc1cc(C#N)ccc1F)C2	ZINC001091482469	951865341	/nfs/dbraw/zinc/86/53/41/951865341.db2.gz	MVIIFJXTCQRJGR-XLIONFOSSA-N	1	0	367.428	1.874	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4occc4C)C[C@]3(C)C2)C1=O	ZINC001091484855	951870744	/nfs/dbraw/zinc/87/07/44/951870744.db2.gz	FDRJZIBYKUDALO-GUXCAODWSA-N	1	0	357.454	1.769	20	30		FDEDRO
C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]Cc1cccc(C#N)c1	ZINC001575113434	951941570	/nfs/dbraw/zinc/94/15/70/951941570.db2.gz	BJAJGXDQOZKFLI-LBPRGKRZSA-N	1	0	364.413	1.222	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2C[N@H+](Cc3cnc(C(F)(F)F)nc3)C[C@@]2(C)C1	ZINC001091545748	951985849	/nfs/dbraw/zinc/98/58/49/951985849.db2.gz	UCLVZEAXPUUNOT-GHJWDPDVSA-N	1	0	367.375	1.935	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)C4CC(F)(F)C4)C[C@]3(C)C2)C1=O	ZINC001091585649	952161949	/nfs/dbraw/zinc/16/19/49/952161949.db2.gz	OLNRRPFZUMJAIA-VKJFTORMSA-N	1	0	367.440	1.599	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001571085083	952195242	/nfs/dbraw/zinc/19/52/42/952195242.db2.gz	OCGJRJDMSZKIPW-OLZOCXBDSA-N	1	0	371.420	1.494	20	30		FDEDRO
COc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@]3(C)C2)ccn1	ZINC001091607720	952258554	/nfs/dbraw/zinc/25/85/54/952258554.db2.gz	DEHWXWUFGUBSNX-UZLBHIALSA-N	1	0	365.437	1.884	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)c2c[nH]c(=O)cn2)[C@H]2CC[C@H]([NH3+])CC2)cc1	ZINC001147633414	952459622	/nfs/dbraw/zinc/45/96/22/952459622.db2.gz	RSNQSKGZFUYFHX-WKILWMFISA-N	1	0	351.410	1.554	20	30		FDEDRO
CCn1nncc1C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@@]2(C)C1	ZINC001091650373	952498481	/nfs/dbraw/zinc/49/84/81/952498481.db2.gz	CTWKBYNCRHUNGA-XLIONFOSSA-N	1	0	364.453	1.764	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)C1	ZINC001147932253	952571653	/nfs/dbraw/zinc/57/16/53/952571653.db2.gz	PXYHOZGMQHYGGQ-LTIDMASMSA-N	1	0	361.486	1.027	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CNc1ncccc1C#N	ZINC001091671856	952595845	/nfs/dbraw/zinc/59/58/45/952595845.db2.gz	VNORCTAELUUMLF-IAGOWNOFSA-N	1	0	371.485	1.570	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnc(C)[nH]2)C1	ZINC001086849423	952756104	/nfs/dbraw/zinc/75/61/04/952756104.db2.gz	HMORWFRXJALCCR-LSDHHAIUSA-N	1	0	370.457	1.761	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc4c([nH]3)CCC4)C2)C1=O	ZINC001086850601	952858082	/nfs/dbraw/zinc/85/80/82/952858082.db2.gz	OEBVCHKWGBGDGW-LESCRADOSA-N	1	0	370.497	1.778	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc(C)s3)C2)cn1	ZINC001086857685	952876014	/nfs/dbraw/zinc/87/60/14/952876014.db2.gz	QBIJHVDPECPFNJ-XJKSGUPXSA-N	1	0	355.467	1.911	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc4n(n3)CCC4)C2)cn1	ZINC001086857798	952877166	/nfs/dbraw/zinc/87/71/66/952877166.db2.gz	WYFVDPJJWJGFCX-MAUKXSAKSA-N	1	0	363.465	1.894	20	30		FDEDRO
CN1C(=O)CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001086865952	952896840	/nfs/dbraw/zinc/89/68/40/952896840.db2.gz	QIANTCMWAJWXSA-KFKAGJAMSA-N	1	0	368.481	1.944	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H]3CCN(CC=C)C3=O)C2)nc1	ZINC001086857153	952903822	/nfs/dbraw/zinc/90/38/22/952903822.db2.gz	NKTUYYWUFCGQNW-SCTDSRPQSA-N	1	0	366.465	1.338	20	30		FDEDRO
C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C2)CC1	ZINC001086933760	952947467	/nfs/dbraw/zinc/94/74/67/952947467.db2.gz	VYKAOEFWTBOHSI-ZACQAIPSSA-N	1	0	361.486	1.136	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2[NH2+]CCc2ccccc2)cn1	ZINC001086978416	952990433	/nfs/dbraw/zinc/99/04/33/952990433.db2.gz	VQWFXGXCYXTUDC-LEWJYISDSA-N	1	0	362.477	1.960	20	30		FDEDRO
Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1cnn(C)c1	ZINC001086978650	952990861	/nfs/dbraw/zinc/99/08/61/952990861.db2.gz	IJDVPSNYLGSJCA-VQTJNVASSA-N	1	0	363.465	1.621	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2c(Cl)cnn2C)C[C@H]1c1cnn(C)c1	ZINC001086979353	952992629	/nfs/dbraw/zinc/99/26/29/952992629.db2.gz	WJJCQOCWUWLGFV-DZGCQCFKSA-N	1	0	362.865	1.581	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2ccnn2C)C[C@H]1c1cnn(C)c1	ZINC001086979907	952994110	/nfs/dbraw/zinc/99/41/10/952994110.db2.gz	ZJEQEDZQYDFPLB-BHYGNILZSA-N	1	0	356.474	1.417	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2cnn3c2CCCC3)C[C@H]1c1cnn(C)c1	ZINC001086982946	952996116	/nfs/dbraw/zinc/99/61/16/952996116.db2.gz	NCWQANOLILZMTO-ZWKOTPCHSA-N	1	0	368.485	1.266	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c(C)nc3sccn32)C[C@H]1c1cnn(C)c1	ZINC001086984387	952999050	/nfs/dbraw/zinc/99/90/50/952999050.db2.gz	NAFLIKBTQUWRRV-LSDHHAIUSA-N	1	0	370.482	1.822	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C2(C(F)(F)F)CCC2)C[C@H]1c1cnn(C)c1	ZINC001086984545	952999132	/nfs/dbraw/zinc/99/91/32/952999132.db2.gz	RRNXUAQEYPMZDG-UONOGXRCSA-N	1	0	354.376	1.670	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnn(C(C)(C)C)c2)C[C@H]1c1cnn(C)c1	ZINC001086985889	953003713	/nfs/dbraw/zinc/00/37/13/953003713.db2.gz	JSSYQUHNUIEVCY-DLBZAZTESA-N	1	0	356.474	1.755	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3c2CCCC3)C[C@H]1c1cnn(C)c1	ZINC001086986004	953004439	/nfs/dbraw/zinc/00/44/39/953004439.db2.gz	QCHSMWXXOQTVHE-DOTOQJQBSA-N	1	0	354.458	1.406	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]c3cnccc23)C[C@H]1c1cnn(C)c1	ZINC001086993207	953026104	/nfs/dbraw/zinc/02/61/04/953026104.db2.gz	LWVFXQHBSISXAP-PKOBYXMFSA-N	1	0	362.437	1.056	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2ccc(=O)[nH]c2)C[C@H]1c1cnn(C)c1	ZINC001086993647	953027630	/nfs/dbraw/zinc/02/76/30/953027630.db2.gz	KFOSNRIRTKZCDP-ZWKOTPCHSA-N	1	0	369.469	1.614	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccnn2[C@H](C)CC)C[C@H]1c1cnn(C)c1	ZINC001086981575	953033077	/nfs/dbraw/zinc/03/30/77/953033077.db2.gz	QYGBCPGRNDKRES-HYVNUMGLSA-N	1	0	354.458	1.419	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C(C)C)cn2)C[C@H]1c1cnn(C)c1	ZINC001086997083	953039187	/nfs/dbraw/zinc/03/91/87/953039187.db2.gz	JYHYMXCYCLVNFB-PKOBYXMFSA-N	1	0	351.454	1.770	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2scnc2C2CC2)C[C@H]1c1cnn(C)c1	ZINC001087000543	953051307	/nfs/dbraw/zinc/05/13/07/953051307.db2.gz	BPIDOAGLKWWHRM-LSDHHAIUSA-N	1	0	355.467	1.585	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3cccnn32)C[C@H]1c1cnn(C)c1	ZINC001087000511	953051387	/nfs/dbraw/zinc/05/13/87/953051387.db2.gz	ACOKNQWADNIZLW-DLBZAZTESA-N	1	0	350.426	1.452	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC(C)C)C2)nn1	ZINC001087001152	953053979	/nfs/dbraw/zinc/05/39/79/953053979.db2.gz	GTAVXTSBDAPTMM-DLBZAZTESA-N	1	0	371.489	1.442	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3n[nH]cc3C2)C[C@H]1c1cnn(C)c1	ZINC001087005802	953065256	/nfs/dbraw/zinc/06/52/56/953065256.db2.gz	VJOMRDJIGXEQNY-DKSSEZFCSA-N	1	0	368.485	1.408	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2cccnc2)C[C@H]1c1cnn(C)c1	ZINC001086995420	953067837	/nfs/dbraw/zinc/06/78/37/953067837.db2.gz	BLHPXQDGOSUIJA-FHLIZLRMSA-N	1	0	355.442	1.353	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3n[nH]nc3c2)C[C@H]1c1cnn(C)c1	ZINC001087009127	953097241	/nfs/dbraw/zinc/09/72/41/953097241.db2.gz	QJBNQBNHLKWHLN-WMLDXEAASA-N	1	0	351.414	1.075	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3cccc(F)c3O2)C[C@H]1c1cnn(C)c1	ZINC001087010195	953100803	/nfs/dbraw/zinc/10/08/03/953100803.db2.gz	QASBAVURBQTMHK-CGTJXYLNSA-N	1	0	370.428	1.633	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCc3ccccc32)C[C@H]1c1cnn(C)c1	ZINC001087011117	953102692	/nfs/dbraw/zinc/10/26/92/953102692.db2.gz	GKPUASJVWZIGNE-DWLFOUALSA-N	1	0	362.477	1.841	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]2NCC#N)cn1	ZINC001087011043	953102958	/nfs/dbraw/zinc/10/29/58/953102958.db2.gz	BNFDDHFNXMZYDP-RBUKOAKNSA-N	1	0	366.469	1.203	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2nn(CC)nc2C)C[C@H]1c1cnn(C)c1	ZINC001087012227	953106406	/nfs/dbraw/zinc/10/64/06/953106406.db2.gz	MLCRZUKANCSYSL-JKSUJKDBSA-N	1	0	357.462	1.114	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ncccc2OCC)C[C@H]1c1cnn(C)c1	ZINC001087012368	953107106	/nfs/dbraw/zinc/10/71/06/953107106.db2.gz	UDGHPZVPPZWDOR-JKSUJKDBSA-N	1	0	353.426	1.045	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1csnc1OC	ZINC001087035490	953145281	/nfs/dbraw/zinc/14/52/81/953145281.db2.gz	CACAKEDUPMYAQY-OUCADQQQSA-N	1	0	352.460	1.264	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1nc(C(C)C)ns1	ZINC001087035894	953146274	/nfs/dbraw/zinc/14/62/74/953146274.db2.gz	QLLLXZKJRHZXAG-BFHYXJOUSA-N	1	0	365.503	1.774	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+][C@@H](C)c1nnc(C)[nH]1	ZINC001087040028	953156871	/nfs/dbraw/zinc/15/68/71/953156871.db2.gz	OFBQMEBLIZQJTJ-SGIREYDYSA-N	1	0	371.445	1.141	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1ccn(CC)n1	ZINC001087040249	953157221	/nfs/dbraw/zinc/15/72/21/953157221.db2.gz	YTEXFYAOZOVFMC-CRAIPNDOSA-N	1	0	370.457	1.370	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C(F)=C(C)C)C[C@H]2OCC)C1=O	ZINC001087043802	953165714	/nfs/dbraw/zinc/16/57/14/953165714.db2.gz	IEECVFNREXMBLH-BZUAXINKSA-N	1	0	367.465	1.490	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1c(C)noc1C	ZINC001087045688	953171320	/nfs/dbraw/zinc/17/13/20/953171320.db2.gz	PVFNWLWIMZFNLG-CRAIPNDOSA-N	1	0	371.441	1.758	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1nn(C)cc1Cl	ZINC001087053393	953185699	/nfs/dbraw/zinc/18/56/99/953185699.db2.gz	MZFSTQTZLOCELY-RHSMWYFYSA-N	1	0	364.877	1.440	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1cnc(C)o1	ZINC001087047159	953195918	/nfs/dbraw/zinc/19/59/18/953195918.db2.gz	WDIMKKLZLPGTDW-RHSMWYFYSA-N	1	0	357.414	1.450	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H](C)c2nnnn2C)[C@H](OCC)C1	ZINC001087071203	953225104	/nfs/dbraw/zinc/22/51/04/953225104.db2.gz	BRPDKSVOYXENLI-RRFJBIMHSA-N	1	0	364.494	1.327	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1O	ZINC001196790077	971915531	/nfs/dbraw/zinc/91/55/31/971915531.db2.gz	IEWCZQLQGYUWDX-MLHJIOFPSA-N	1	0	354.491	1.334	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@]2(C)CCOC2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087093917	953260301	/nfs/dbraw/zinc/26/03/01/953260301.db2.gz	JMQPGKZSMXHWQE-SFHLNBCPSA-N	1	0	371.481	1.938	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cnoc3C)[C@H](OCC)C2)cn1	ZINC001087097320	953284400	/nfs/dbraw/zinc/28/44/00/953284400.db2.gz	JINNGDBSLXCZSZ-IEBWSBKVSA-N	1	0	368.437	1.626	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]CC2CCC2)[C@H](OCC)C1	ZINC001087097587	953285232	/nfs/dbraw/zinc/28/52/32/953285232.db2.gz	YMSCPYQNFAUHKE-IEBWSBKVSA-N	1	0	371.481	1.960	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ccsn4)C[C@]3(C)C2)C1=O	ZINC001091775568	953299913	/nfs/dbraw/zinc/29/99/13/953299913.db2.gz	WKZCWEZMRAASFM-XUWXXGDYSA-N	1	0	360.483	1.324	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CCN1c1ccnc(C#N)n1	ZINC001091787015	953305583	/nfs/dbraw/zinc/30/55/83/953305583.db2.gz	YJQJOCNKYFEYTK-FRQCXROJSA-N	1	0	370.501	1.942	20	30		FDEDRO
COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)C1	ZINC001196772771	971924817	/nfs/dbraw/zinc/92/48/17/971924817.db2.gz	DCAFHZWADGNKMZ-MTQWCTHYSA-N	1	0	356.466	1.218	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)CCc3ccc(C(N)=O)cc3)C[C@]2(C)C1	ZINC001091850183	953444786	/nfs/dbraw/zinc/44/47/86/953444786.db2.gz	HHYRESSUTPXAOH-NQIIRXRSSA-N	1	0	353.466	1.522	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cncc(-n4ccnn4)c3)C[C@]2(C)C1	ZINC001091883613	953519884	/nfs/dbraw/zinc/51/98/84/953519884.db2.gz	PMEGGLKAQFFALL-APWZRJJASA-N	1	0	350.426	1.080	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc(C)c3ccccc32)C1	ZINC001196846340	971938860	/nfs/dbraw/zinc/93/88/60/971938860.db2.gz	ZVGIDZHKAXOKND-IEBWSBKVSA-N	1	0	357.454	1.314	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)c3c(C)c(C)nn(C)c3=O)C[C@]2(C)C1	ZINC001091903159	953663380	/nfs/dbraw/zinc/66/33/80/953663380.db2.gz	WKAFLABIHAXNAH-UZLBHIALSA-N	1	0	358.486	1.757	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)CCOCCN(C)c2ccncc2C#N)CC[N@@H+]1C	ZINC001091907711	953686886	/nfs/dbraw/zinc/68/68/86/953686886.db2.gz	WRUALGIKZCCRTJ-NVXWUHKLSA-N	1	0	359.474	1.205	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1	ZINC001091909935	953694090	/nfs/dbraw/zinc/69/40/90/953694090.db2.gz	FHRJAETVOOHGAV-FCEWJHQRSA-N	1	0	368.543	1.804	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)[C@@H]1C)[NH+]1CCCCC1	ZINC001091979853	953977704	/nfs/dbraw/zinc/97/77/04/953977704.db2.gz	VCLYUWPDDIFKRU-HHXXYDBFSA-N	1	0	370.501	1.942	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCOCC2)C1	ZINC001196933479	971977561	/nfs/dbraw/zinc/97/75/61/971977561.db2.gz	UMXOJTZDTQINLF-IAGOWNOFSA-N	1	0	353.507	1.005	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)C2CCCCC2)C1	ZINC001196899151	971980578	/nfs/dbraw/zinc/98/05/78/971980578.db2.gz	RCDGJDPNVFXCRG-IAGOWNOFSA-N	1	0	351.491	1.201	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)C4(CF)CCC4)C[C@]3(C)C2)C1=O	ZINC001092028027	954121876	/nfs/dbraw/zinc/12/18/76/954121876.db2.gz	DUKARHYWFMGJHU-GJYPPUQNSA-N	1	0	363.477	1.693	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3nccnc3C)C[C@@]2(C)C1	ZINC001092030030	954129009	/nfs/dbraw/zinc/12/90/09/954129009.db2.gz	PFUHLGNSFDPKQZ-HBXLWWENSA-N	1	0	356.470	1.656	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C3CCS(=O)(=O)CC3)C[C@]2(C)C1	ZINC001092064025	954186567	/nfs/dbraw/zinc/18/65/67/954186567.db2.gz	CHCQHEANUOYCEM-AEFFLSMTSA-N	1	0	354.516	1.558	20	30		FDEDRO
CC[C@H](C(=O)N[C@H]1CCN(c2nc(C)cc(C#N)n2)[C@@H]1C)[NH+](CC)CC	ZINC001092049575	954250370	/nfs/dbraw/zinc/25/03/70/954250370.db2.gz	GUAICNOLOZLKRN-HYVNUMGLSA-N	1	0	358.490	1.861	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCn3cncn3)C[C@@]2(C)C1	ZINC001092092750	954261314	/nfs/dbraw/zinc/26/13/14/954261314.db2.gz	ZDKWSONJOHYIOF-DFEOGRTESA-N	1	0	359.474	1.040	20	30		FDEDRO
Cc1nsc(N2C[C@@H]3CN(C(=O)C[N@@H+](C)C(C)C)C[C@]3(C)C2)c1C#N	ZINC001092292084	954891259	/nfs/dbraw/zinc/89/12/59/954891259.db2.gz	SYBSCJHUCRRGHJ-KBXCAEBGSA-N	1	0	361.515	1.948	20	30		FDEDRO
CC[NH+](CC)CC(=O)N[C@@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@H]1O	ZINC001197049691	972052432	/nfs/dbraw/zinc/05/24/32/972052432.db2.gz	QKPROVQOKNXOQW-QZTJIDSGSA-N	1	0	363.889	1.195	20	30		FDEDRO
C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cncn1C)c1nccn12	ZINC001092392813	954994409	/nfs/dbraw/zinc/99/44/09/954994409.db2.gz	LKPUUDQLXDVZCH-BZUAXINKSA-N	1	0	366.469	1.568	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CNC(=O)C[NH+]1CCC(C)CC1	ZINC001092393891	954995870	/nfs/dbraw/zinc/99/58/70/954995870.db2.gz	NYUJMANXGLSNJR-HZPDHXFCSA-N	1	0	356.474	1.269	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCn2ccnn2)C3)c1	ZINC001110487831	972066656	/nfs/dbraw/zinc/06/66/56/972066656.db2.gz	HKOULZHHQDGOMW-KURKYZTESA-N	1	0	350.426	1.462	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](CNC(=O)C[N@@H+]3CCC[C@@H]3C)[C@H](C)C2)n1	ZINC001092445344	955118907	/nfs/dbraw/zinc/11/89/07/955118907.db2.gz	RYKUNTRUAMGAEM-VNQPRFMTSA-N	1	0	356.474	1.330	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H](CNC(=O)C[N@@H+]3CC[C@H](C)C3)[C@H](C)C2)n1	ZINC001092445499	955120231	/nfs/dbraw/zinc/12/02/31/955120231.db2.gz	VGBAWJFVMIMDHZ-ARFHVFGLSA-N	1	0	370.501	1.441	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C	ZINC001092411769	955139040	/nfs/dbraw/zinc/13/90/40/955139040.db2.gz	OWYGVFIWLDAVPI-IIAWOOMASA-N	1	0	362.453	1.217	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1C	ZINC001092411918	955140365	/nfs/dbraw/zinc/14/03/65/955140365.db2.gz	UILXKAWBFYTDCC-OIISXLGYSA-N	1	0	361.465	1.822	20	30		FDEDRO
Cc1cc(N2C[C@@H](CNC(=O)C3([NH+](C)C)CCC3)[C@H](C)C2)c(C#N)cn1	ZINC001092415203	955145506	/nfs/dbraw/zinc/14/55/06/955145506.db2.gz	LTXFQKUJNPFNJU-RHSMWYFYSA-N	1	0	355.486	1.935	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](CNC(=O)CC[C@H]3CCC[N@@H+]3C)[C@H](C)C2)n1	ZINC001092460588	955185290	/nfs/dbraw/zinc/18/52/90/955185290.db2.gz	SLGPPDPKWRBDIX-QGPMSJSTSA-N	1	0	370.501	1.720	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3ccccc3O)[C@H](C)C2)C1=O	ZINC001092475351	955219859	/nfs/dbraw/zinc/21/98/59/955219859.db2.gz	RIYHYUVQSVOOEA-INMHGKMJSA-N	1	0	357.454	1.477	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3CCC[N@@H+]3C)C2)n1	ZINC001092484073	955239449	/nfs/dbraw/zinc/23/94/49/955239449.db2.gz	AUDSKONIBWALDQ-UNEWFSDZSA-N	1	0	356.474	1.330	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)N2CCCC[C@@H]2C)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC001092530596	955488658	/nfs/dbraw/zinc/48/86/58/955488658.db2.gz	FTOCLEJJQFSXBG-HLLBOEOZSA-N	1	0	371.485	1.585	20	30		FDEDRO
CCn1cc(CC[N@H+]2C[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)cn1	ZINC001092532215	955497572	/nfs/dbraw/zinc/49/75/72/955497572.db2.gz	QVXBZLUZOOGVMU-RHSMWYFYSA-N	1	0	354.458	1.643	20	30		FDEDRO
CC[C@@H](C(=O)NCC[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1C)[NH+](C)C	ZINC001092539697	955531426	/nfs/dbraw/zinc/53/14/26/955531426.db2.gz	QVSJLGVGCVIYOB-UNEWFSDZSA-N	1	0	358.490	1.576	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3cc(C)nnc3C)[C@H](C)C2)C1=O	ZINC001092641675	955763545	/nfs/dbraw/zinc/76/35/45/955763545.db2.gz	OQLRMGDUZNTMHN-MZMPZRCHSA-N	1	0	371.485	1.178	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1C	ZINC001092676894	955990577	/nfs/dbraw/zinc/99/05/77/955990577.db2.gz	OPTQTHDNMZTJCG-HZPDHXFCSA-N	1	0	358.486	1.593	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3ccncc3)c2)C1	ZINC001197206507	972148816	/nfs/dbraw/zinc/14/88/16/972148816.db2.gz	QELWSBBKUPEPSJ-ZTFGCOKTSA-N	1	0	355.442	1.397	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)[C@H]1CCCNC1=O	ZINC001092699111	956078884	/nfs/dbraw/zinc/07/88/84/956078884.db2.gz	CZYVWFRHIKGDJA-SUMDDJOVSA-N	1	0	371.456	1.388	20	30		FDEDRO
C[NH+](C)CCCCC(=O)NC[C@]12CCC[C@H]1N(c1nccnc1C#N)CC2	ZINC001092700672	956090168	/nfs/dbraw/zinc/09/01/68/956090168.db2.gz	HQRSCSGXDBTWPH-YLJYHZDGSA-N	1	0	370.501	1.945	20	30		FDEDRO
C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2cnc3ccc(OC)nn32)[C@H](C)C1	ZINC001092741932	956242893	/nfs/dbraw/zinc/24/28/93/956242893.db2.gz	LDQQHDCGWVYKOO-DGCLKSJQSA-N	1	0	363.849	1.788	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(-n3cncn3)nc2)[C@H](C)C1	ZINC001092870400	956596670	/nfs/dbraw/zinc/59/66/70/956596670.db2.gz	VVCXGAHRBCTWLH-IUODEOHRSA-N	1	0	360.849	1.713	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(OC)nn3)C[C@H]2C)cc1	ZINC001092875233	956618031	/nfs/dbraw/zinc/61/80/31/956618031.db2.gz	VMYOJNOZWCADIJ-CRAIPNDOSA-N	1	0	364.449	1.964	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccncc1C#N	ZINC001092888177	956797321	/nfs/dbraw/zinc/79/73/21/956797321.db2.gz	QPYDOMQAPNIHKG-CBZIJGRNSA-N	1	0	359.449	1.859	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1	ZINC001092926548	956930154	/nfs/dbraw/zinc/93/01/54/956930154.db2.gz	DCOUGWHVCVTIPX-NCOADZHNSA-N	1	0	354.458	1.449	20	30		FDEDRO
Cc1cc(C#N)nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C3)n1	ZINC001092926600	956931137	/nfs/dbraw/zinc/93/11/37/956931137.db2.gz	FVKCTXLEFCVOFJ-MHORFTMASA-N	1	0	368.485	1.757	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1C	ZINC001092978022	956976020	/nfs/dbraw/zinc/97/60/20/956976020.db2.gz	VXYDAZSDALEQOH-DZUCGIPZSA-N	1	0	362.474	1.586	20	30		FDEDRO
C[NH+](C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncc(C#N)cc1F)C1CC1	ZINC001093022872	957158942	/nfs/dbraw/zinc/15/89/42/957158942.db2.gz	HLFMPIXLTLTDHO-SIXLDLHFSA-N	1	0	357.433	1.658	20	30		FDEDRO
CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N)[NH+](CC)CC	ZINC001093043553	957207049	/nfs/dbraw/zinc/20/70/49/957207049.db2.gz	UZMZYJHWTGKXTQ-SRABZTEZSA-N	1	0	356.474	1.695	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1C	ZINC001093039031	957261599	/nfs/dbraw/zinc/26/15/99/957261599.db2.gz	DMMNEOPEGVDMBM-CBZIJGRNSA-N	1	0	351.491	1.130	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)c1cc(C(N)=O)c[nH]1	ZINC001093084896	957366179	/nfs/dbraw/zinc/36/61/79/957366179.db2.gz	OAMIVOCHEKVKJY-CXAGYDPISA-N	1	0	365.437	1.483	20	30		FDEDRO
COc1ncc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)cn1	ZINC001093101156	957416895	/nfs/dbraw/zinc/41/68/95/957416895.db2.gz	RJYPSFSTLZAHBA-RDTXWAMCSA-N	1	0	365.437	1.855	20	30		FDEDRO
C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1CN(c1ccc(C#N)cn1)C2	ZINC001093092102	957540381	/nfs/dbraw/zinc/54/03/81/957540381.db2.gz	DCWZUJQFATXDIZ-LPHOPBHVSA-N	1	0	357.458	1.007	20	30		FDEDRO
CC(C)[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2cnc(C#N)cn2)C1	ZINC001093114130	957552539	/nfs/dbraw/zinc/55/25/39/957552539.db2.gz	MNBNIVWSFNADRC-CHWSQXEVSA-N	1	0	370.379	1.490	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1C	ZINC001093118365	957568420	/nfs/dbraw/zinc/56/84/20/957568420.db2.gz	KKDKWEDXGLCEII-HZPDHXFCSA-N	1	0	369.469	1.878	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3snnc3C)C[C@H]2C)nc1	ZINC001093140746	957637445	/nfs/dbraw/zinc/63/74/45/957637445.db2.gz	JDCAQUYRULKXTQ-IUODEOHRSA-N	1	0	355.467	1.721	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3cc(C)n(C)n3)C[C@H]2C)cn1	ZINC001093143131	957640983	/nfs/dbraw/zinc/64/09/83/957640983.db2.gz	QEXFALISESDMKW-RHSMWYFYSA-N	1	0	351.454	1.603	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1C	ZINC001093143415	957641947	/nfs/dbraw/zinc/64/19/47/957641947.db2.gz	GHFOXGQSLSPOMI-FGTMMUONSA-N	1	0	371.481	1.818	20	30		FDEDRO
C#Cc1cnc(NC(=O)c2cccc(CN3CCC[N@@H+](C)CC3)c2)c(C#C)n1	ZINC001197495828	972283602	/nfs/dbraw/zinc/28/36/02/972283602.db2.gz	KPRVGQHKCQMGIA-UHFFFAOYSA-N	1	0	373.460	1.829	20	30		FDEDRO
CC(=O)N1CC[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2C)C1	ZINC001093163290	957711351	/nfs/dbraw/zinc/71/13/51/957711351.db2.gz	HPAGVIKKGFBVOR-CDHQVMDDSA-N	1	0	368.481	1.611	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3ccc(C)nc3C)[C@H](C)C2)C1=O	ZINC001093220336	957846724	/nfs/dbraw/zinc/84/67/24/957846724.db2.gz	SGKXIUNPXDLDSU-LSBZLQRGSA-N	1	0	370.497	1.783	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@@H]1CCC(=O)N(C)C1	ZINC001093230866	957869162	/nfs/dbraw/zinc/86/91/62/957869162.db2.gz	XDEFDEJCGDBFQR-ATZDWAIDSA-N	1	0	368.481	1.611	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)CC(C)(C)O)C[C@H]2C)C1=O	ZINC001093273820	957942832	/nfs/dbraw/zinc/94/28/32/957942832.db2.gz	HDCAUTQEXBTCTA-BZUAXINKSA-N	1	0	351.491	1.009	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)C1=O	ZINC001093275204	957945882	/nfs/dbraw/zinc/94/58/82/957945882.db2.gz	WWVPORCGYRZTQL-OIISXLGYSA-N	1	0	369.469	1.361	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3ccc(C)nn3)C[C@H]2C)C1=O	ZINC001093279024	957951055	/nfs/dbraw/zinc/95/10/55/957951055.db2.gz	VOYAPRCITJMYED-OIISXLGYSA-N	1	0	371.485	1.260	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H]3CCCNC3=O)C2)cc1	ZINC001093280141	957954347	/nfs/dbraw/zinc/95/43/47/957954347.db2.gz	DWTJNVGGZKPKKH-ATZDWAIDSA-N	1	0	353.466	1.634	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H]3CCN(CC)C3=O)C2)cc1	ZINC001093280811	957956777	/nfs/dbraw/zinc/95/67/77/957956777.db2.gz	LPTUUDTZOCJAIX-AHRSYUTCSA-N	1	0	367.493	1.977	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H]3CCN(CC)C3=O)C2)nc1	ZINC001093289137	957980611	/nfs/dbraw/zinc/98/06/11/957980611.db2.gz	PGCVDZLJDSSBLJ-SUMDDJOVSA-N	1	0	368.481	1.372	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCC2(Nc3ccc(C#N)nn3)CCCCC2)CC[N@@H+]1C	ZINC001093412414	958027506	/nfs/dbraw/zinc/02/75/06/958027506.db2.gz	YSVDWUHRPWPLKS-GDBMZVCRSA-N	1	0	356.474	1.919	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc(C(N)=O)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093452362	958039327	/nfs/dbraw/zinc/03/93/27/958039327.db2.gz	HTADGSVRLZILNH-DCXXXQMHSA-N	1	0	371.481	1.551	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(CC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093442981	958082514	/nfs/dbraw/zinc/08/25/14/958082514.db2.gz	MUUHWBAWTZPDHU-MYZZLAAOSA-N	1	0	361.490	1.454	20	30		FDEDRO
Cc1cc(C[NH2+][C@@H]2C[C@@]3(CN(C(=O)C#CC4CC4)[C@@H]3C(C)C)C[C@H]2O)on1	ZINC001093443566	958084912	/nfs/dbraw/zinc/08/49/12/958084912.db2.gz	RQSXSGRKLWEXKL-UKAVVXHISA-N	1	0	371.481	1.863	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3OCCCO3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093443457	958085270	/nfs/dbraw/zinc/08/52/70/958085270.db2.gz	QTFLBHHOAVTDOK-OHDICMOHSA-N	1	0	352.475	1.292	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCn3ccnn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093443704	958086544	/nfs/dbraw/zinc/08/65/44/958086544.db2.gz	SJUQKOBSCOSOPD-FPAYPSAMSA-N	1	0	361.490	1.210	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)C#CC2CC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCn1cccn1)C2	ZINC001093444127	958089607	/nfs/dbraw/zinc/08/96/07/958089607.db2.gz	ZSEVUWIKZKEGIG-UKAVVXHISA-N	1	0	370.497	1.263	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3(O)CCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093445535	958091988	/nfs/dbraw/zinc/09/19/88/958091988.db2.gz	CNUYPYWNDRJGQI-FPAYPSAMSA-N	1	0	350.503	1.834	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(OC)ns3)[C@H]2C(C)C)C[C@H]1O	ZINC001093446723	958096821	/nfs/dbraw/zinc/09/68/21/958096821.db2.gz	LCBPTFVGQYXNEL-GQGSAGHOSA-N	1	0	365.499	1.917	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnn3C3CCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093446953	958097285	/nfs/dbraw/zinc/09/72/85/958097285.db2.gz	OJZKLHAJDSRAFN-XLBJILASSA-N	1	0	370.497	1.821	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(c4ccccn4)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093447272	958098987	/nfs/dbraw/zinc/09/89/87/958098987.db2.gz	UJWYJSACZSTBJW-VGUOSERISA-N	1	0	367.493	1.713	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3ncc[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093447675	958101671	/nfs/dbraw/zinc/10/16/71/958101671.db2.gz	YLRYAWKEJLDSOP-YAJHFMINSA-N	1	0	360.502	1.885	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C)nc3C3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093448649	958110131	/nfs/dbraw/zinc/11/01/31/958110131.db2.gz	KVTUCKFBHLAXAI-PLOVASNDSA-N	1	0	370.497	1.510	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@@H]1C(C)C	ZINC001093448932	958111857	/nfs/dbraw/zinc/11/18/57/958111857.db2.gz	DFXXOIGISWGJLW-LBKNJMOBSA-N	1	0	361.486	1.246	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn4ncccc34)[C@H]2C(C)C)C[C@H]1O	ZINC001093450115	958121014	/nfs/dbraw/zinc/12/10/14/958121014.db2.gz	KMCIXCGKVDWTMC-LBKNJMOBSA-N	1	0	369.469	1.495	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn4ccncc34)[C@@H]2C(C)C)C[C@H]1O	ZINC001093450773	958128359	/nfs/dbraw/zinc/12/83/59/958128359.db2.gz	XOFTYKRXRNZDAC-UIXUWTQFSA-N	1	0	369.469	1.495	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)ncn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093451747	958135880	/nfs/dbraw/zinc/13/58/80/958135880.db2.gz	XLIDBGXCFNMJNU-HBXLWWENSA-N	1	0	360.502	1.884	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(N(C)C)nc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452217	958138079	/nfs/dbraw/zinc/13/80/79/958138079.db2.gz	FIMFVEDMHXIIIW-ZJSJBZJDSA-N	1	0	370.497	1.361	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(OC)nc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093459847	958185192	/nfs/dbraw/zinc/18/51/92/958185192.db2.gz	WLQPYLFQIALUJS-ZTRFORPCSA-N	1	0	359.470	1.856	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(C(F)(F)F)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093464652	958200279	/nfs/dbraw/zinc/20/02/79/958200279.db2.gz	GACCNISVFUFWRQ-KQTLUZQSSA-N	1	0	358.404	1.928	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc4cccnn43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093465056	958202155	/nfs/dbraw/zinc/20/21/55/958202155.db2.gz	FRVVQNQNVOSOEH-ODZKNYGOSA-N	1	0	369.469	1.495	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)nn3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093466091	958205994	/nfs/dbraw/zinc/20/59/94/958205994.db2.gz	LDTYSAHNNHIWFJ-DLVXIWMQSA-N	1	0	358.486	1.424	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cnc[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093466122	958207738	/nfs/dbraw/zinc/20/77/38/958207738.db2.gz	LNQGYVUSCAFMPE-XYVMCAHJSA-N	1	0	366.893	1.671	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cc(Cl)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093466697	958210948	/nfs/dbraw/zinc/21/09/48/958210948.db2.gz	PECUWDGUSSVWRI-AHCXZYCDSA-N	1	0	364.877	1.136	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccnn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093469786	958224164	/nfs/dbraw/zinc/22/41/64/958224164.db2.gz	KXZQQMUKLXNGGW-KONPQCLYSA-N	1	0	364.877	1.809	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3coc(COC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093469873	958224351	/nfs/dbraw/zinc/22/43/51/958224351.db2.gz	MMHOEYWHZAUSDI-HAYUQVRISA-N	1	0	363.458	1.587	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COc3cccnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093470391	958228082	/nfs/dbraw/zinc/22/80/82/958228082.db2.gz	UGTFGMAWXQYJRJ-IZBJGVDFSA-N	1	0	359.470	1.613	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc4c([nH]3)CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093472218	958238309	/nfs/dbraw/zinc/23/83/09/958238309.db2.gz	JRHYCIRFGIHQRF-BNDYYXHWSA-N	1	0	355.482	1.716	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH]nc3C3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093472663	958240019	/nfs/dbraw/zinc/24/00/19/958240019.db2.gz	MEEXQJVEIRJEEN-HBXLWWENSA-N	1	0	356.470	1.500	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(CC)c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093473733	958245070	/nfs/dbraw/zinc/24/50/70/958245070.db2.gz	RXVDTFMJJJYDEO-FTEYMNFISA-N	1	0	360.502	1.977	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(Cl)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093474627	958248749	/nfs/dbraw/zinc/24/87/49/958248749.db2.gz	SYCJAAVUAILVML-YWTNHNAXSA-N	1	0	361.873	1.948	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccn(C)c(=O)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452832	958258961	/nfs/dbraw/zinc/25/89/61/958258961.db2.gz	OMCGRECOYUNAGG-QQTQMKHKSA-N	1	0	359.470	1.151	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)cc(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093452840	958259604	/nfs/dbraw/zinc/25/96/04/958259604.db2.gz	OURFAHUOEMHKIZ-WERVVEIQSA-N	1	0	355.482	1.911	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)c2ccn3c[nH+]cc3c2)C[C@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001093454072	958265609	/nfs/dbraw/zinc/26/56/09/958265609.db2.gz	YMZFUWYQAYISLD-MLYOOKFZSA-N	1	0	367.453	1.438	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(CCC)n[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093454472	958267937	/nfs/dbraw/zinc/26/79/37/958267937.db2.gz	FMCIXEVHIOJDQO-MLYOOKFZSA-N	1	0	358.486	1.575	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3coc(OC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093456009	958275114	/nfs/dbraw/zinc/27/51/14/958275114.db2.gz	TVRHBXNRUKBMLB-JNNRSPCRSA-N	1	0	363.458	1.839	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093456005	958275543	/nfs/dbraw/zinc/27/55/43/958275543.db2.gz	TUJSTKOFHCYPEI-IVEHAJSJSA-N	1	0	368.905	1.597	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnc4n[nH]nc43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093457453	958279923	/nfs/dbraw/zinc/27/99/23/958279923.db2.gz	KBVNDOQJWICGBB-NPNMTCQASA-N	1	0	370.457	1.119	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3csc(=O)[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093458513	958284787	/nfs/dbraw/zinc/28/47/87/958284787.db2.gz	DNQSGRIHCGWVNF-MBMVNNNZSA-N	1	0	351.472	1.614	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncnc3C3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093477985	958291902	/nfs/dbraw/zinc/29/19/02/958291902.db2.gz	OPMPWJIECGXUGY-ZJSJBZJDSA-N	1	0	368.481	1.567	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncccc3OCC)[C@H]2C(C)C)C[C@H]1O	ZINC001093478790	958296552	/nfs/dbraw/zinc/29/65/52/958296552.db2.gz	FDYDVXSBBSTIAV-IIZJSDIPSA-N	1	0	371.481	1.693	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CCCOC)c2)C1	ZINC001197644809	972335183	/nfs/dbraw/zinc/33/51/83/972335183.db2.gz	SQADWKPCKJCCFI-QZTJIDSGSA-N	1	0	366.506	1.665	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3ccnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093479497	958298856	/nfs/dbraw/zinc/29/88/56/958298856.db2.gz	KHFAOQBTWRMHKN-AHCXZYCDSA-N	1	0	366.893	1.602	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CCCOC)c2)C1	ZINC001197644326	972335307	/nfs/dbraw/zinc/33/53/07/972335307.db2.gz	KOTDWIRDZORRKC-QZTJIDSGSA-N	1	0	364.490	1.441	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(CC)n(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093479879	958300269	/nfs/dbraw/zinc/30/02/69/958300269.db2.gz	PYGGLEVQHIQCGL-SOAMZJECSA-N	1	0	360.502	1.748	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc4n[nH]nc4c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093479691	958300418	/nfs/dbraw/zinc/30/04/18/958300418.db2.gz	VBUBYJCLNSLBIG-XSYGEPLQSA-N	1	0	369.469	1.724	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)nsc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093480680	958303337	/nfs/dbraw/zinc/30/33/37/958303337.db2.gz	NUDMXXLYZAPFDB-IIHSZXCVSA-N	1	0	361.511	1.973	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3ccc(C)nc3)C[C@H]2C)C1=O	ZINC001093640411	958409554	/nfs/dbraw/zinc/40/95/54/958409554.db2.gz	LKAXEBNZVPLWTA-OLMNPRSZSA-N	1	0	356.470	1.475	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3ccnc(F)c3)C[C@H]2C)C1=O	ZINC001093665587	958464828	/nfs/dbraw/zinc/46/48/28/958464828.db2.gz	MMEGJYWRBAFGKT-FVQBIDKESA-N	1	0	360.433	1.305	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCC(F)(F)F	ZINC001110494553	972352504	/nfs/dbraw/zinc/35/25/04/972352504.db2.gz	RFHIJYZYIIIOSI-BARDWOONSA-N	1	0	362.392	1.451	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C3CC3)n2C2CC2)[C@H](C)C1	ZINC001093679201	958533220	/nfs/dbraw/zinc/53/32/20/958533220.db2.gz	RISGNVAGAMXNNO-UMVBOHGHSA-N	1	0	356.474	1.834	20	30		FDEDRO
COc1nccc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)n1	ZINC001093699517	958564933	/nfs/dbraw/zinc/56/49/33/958564933.db2.gz	BMNQUGFMKYWHFS-TZMCWYRMSA-N	1	0	354.414	1.183	20	30		FDEDRO
CC(C)n1cc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)nn1	ZINC001093700000	958566663	/nfs/dbraw/zinc/56/66/63/958566663.db2.gz	UBPCJPYQQZVAEV-UKRRQHHQSA-N	1	0	355.446	1.557	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1ccn(C)c(=O)c1	ZINC001093699877	958566981	/nfs/dbraw/zinc/56/69/81/958566981.db2.gz	NAFXGWQRODUUQZ-CZUORRHYSA-N	1	0	353.426	1.083	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093712079	958574914	/nfs/dbraw/zinc/57/49/14/958574914.db2.gz	PATIBHPBCPYFPB-MGPQQGTHSA-N	1	0	360.483	1.330	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093712420	958575625	/nfs/dbraw/zinc/57/56/25/958575625.db2.gz	VIRKRSYRZLCUQQ-FHLIZLRMSA-N	1	0	354.454	1.269	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1nc(C(F)F)no1	ZINC001093722491	958597920	/nfs/dbraw/zinc/59/79/20/958597920.db2.gz	JILCDJCZDQSTKM-NXEZZACHSA-N	1	0	364.356	1.705	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)cn1	ZINC001093722597	958599477	/nfs/dbraw/zinc/59/94/77/958599477.db2.gz	RVRZROLZIPRFRN-UKRRQHHQSA-N	1	0	353.426	1.788	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)[C@H](C)C1)n1cncn1	ZINC001093725441	958607438	/nfs/dbraw/zinc/60/74/38/958607438.db2.gz	KSBXEWJNYWUHEM-JKIFEVAISA-N	1	0	370.432	1.734	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2COCCN2C)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093728947	958622481	/nfs/dbraw/zinc/62/24/81/958622481.db2.gz	YDWXJIOLABZXHS-CKEIUWERSA-N	1	0	362.499	1.134	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1nc(-c2ccco2)no1	ZINC001093763050	958703346	/nfs/dbraw/zinc/70/33/46/958703346.db2.gz	XOCMRTZFAKVTRH-UKRRQHHQSA-N	1	0	354.410	1.927	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1nc2ccsc2c(=O)[nH]1	ZINC001093763083	958703608	/nfs/dbraw/zinc/70/36/08/958703608.db2.gz	ZKMGXPAFNUABMQ-TZMCWYRMSA-N	1	0	370.478	1.994	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1ncnn1-c1ccccc1	ZINC001093763909	958704583	/nfs/dbraw/zinc/70/45/83/958704583.db2.gz	DIKXAJYIYWOOEY-SJLPKXTDSA-N	1	0	363.465	1.865	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+][C@H](C)c2nncn2C)[C@H](C)C1	ZINC001093824756	958903413	/nfs/dbraw/zinc/90/34/13/958903413.db2.gz	JPKHLWVLSBRJBW-BZUAXINKSA-N	1	0	356.474	1.862	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2csc(C)n2)[C@H](C)C1	ZINC001093832842	958925775	/nfs/dbraw/zinc/92/57/75/958925775.db2.gz	CHPWPCRDPKAROD-KYJSFNMBSA-N	1	0	360.527	1.733	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nccn2CC)[C@H](C)C1	ZINC001093832847	958926221	/nfs/dbraw/zinc/92/62/21/958926221.db2.gz	COIZWFGJNSLSPN-KURKYZTESA-N	1	0	357.502	1.185	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnccc2C)[C@H](C)C1	ZINC001093832972	958927406	/nfs/dbraw/zinc/92/74/06/958927406.db2.gz	LJVWILANLVKDNV-RLLQIKCJSA-N	1	0	354.498	1.672	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001093838934	958946869	/nfs/dbraw/zinc/94/68/69/958946869.db2.gz	RJKLDNQGSRSOEP-IUODEOHRSA-N	1	0	360.433	1.393	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093846673	958968917	/nfs/dbraw/zinc/96/89/17/958968917.db2.gz	ZWTYOTITXMAXTI-ZTFGCOKTSA-N	1	0	354.454	1.411	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]ccc2-c2ccccc2)C1	ZINC001197723330	972393517	/nfs/dbraw/zinc/39/35/17/972393517.db2.gz	GEEJFDKEYLEMAT-QZTJIDSGSA-N	1	0	355.438	1.659	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nnnn3C)[C@H](C)C2)cc1	ZINC001093870568	959055876	/nfs/dbraw/zinc/05/58/76/959055876.db2.gz	WDFMBUIVCJBSDL-GDBMZVCRSA-N	1	0	370.457	1.273	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cnnn3CC)[C@H](C)C2)cc1	ZINC001093957668	959352520	/nfs/dbraw/zinc/35/25/20/959352520.db2.gz	SARWPLGTHRUZIB-CRAIPNDOSA-N	1	0	351.454	1.777	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc3n2CCOC3)[C@H](C)C1	ZINC001093962160	959367448	/nfs/dbraw/zinc/36/74/48/959367448.db2.gz	SHBUTXOEJJDQIB-HUUCEWRRSA-N	1	0	361.490	1.595	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001093964091	959372029	/nfs/dbraw/zinc/37/20/29/959372029.db2.gz	JAHTUYQZNSTYMW-SRCQZFHVSA-N	1	0	358.417	1.018	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001093964100	959372765	/nfs/dbraw/zinc/37/27/65/959372765.db2.gz	JLWCGQNBDWJWLC-DAXOMENPSA-N	1	0	358.417	1.018	20	30		FDEDRO
C[C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093996684	959473013	/nfs/dbraw/zinc/47/30/13/959473013.db2.gz	PAYYGOBHKYSURC-CRAIPNDOSA-N	1	0	367.453	1.555	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3occc3CC)C[C@H]2C)C1=O	ZINC001094019095	959535577	/nfs/dbraw/zinc/53/55/77/959535577.db2.gz	SILYHSZHQLBEAN-DJIMGWMZSA-N	1	0	359.470	1.927	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C(C)(C)C(F)F)C[C@H]2C)C1=O	ZINC001094028056	959550361	/nfs/dbraw/zinc/55/03/61/959550361.db2.gz	QCFOLKPIILYKSG-MCIONIFRSA-N	1	0	357.445	1.749	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3ncc(Cl)n3C)[C@H](C)C2)c1	ZINC001094028284	959550371	/nfs/dbraw/zinc/55/03/71/959550371.db2.gz	YMYPLAVKYPEIBC-CZUORRHYSA-N	1	0	371.872	1.948	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001094055220	959644940	/nfs/dbraw/zinc/64/49/40/959644940.db2.gz	NGMUTRMGSYAXHH-RHSMWYFYSA-N	1	0	352.442	1.493	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cc3n(n2)CCCC3)[C@H](C)C1	ZINC001094057251	959651265	/nfs/dbraw/zinc/65/12/65/959651265.db2.gz	IXXREAYGEPFVCQ-SMOSDQRPSA-N	1	0	372.513	1.995	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nonc3C)[C@H](C)C2)cc1	ZINC001094092866	959760058	/nfs/dbraw/zinc/76/00/58/959760058.db2.gz	DISZQGJVZKXNLL-RHSMWYFYSA-N	1	0	368.437	1.888	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3cnc(C)cn3)[C@H](C)C2)nn1	ZINC001094095479	959772633	/nfs/dbraw/zinc/77/26/33/959772633.db2.gz	SCGBDDQFLVBMMP-UKRRQHHQSA-N	1	0	355.446	1.060	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cccnc3OC)[C@H](C)C2)nc1	ZINC001094172362	959970130	/nfs/dbraw/zinc/97/01/30/959970130.db2.gz	OSBBEBUFMRJATR-CRAIPNDOSA-N	1	0	364.449	1.964	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]Cc2cnsn2)[C@H](C)C1	ZINC001094173946	959973740	/nfs/dbraw/zinc/97/37/40/959973740.db2.gz	HVXPJFVNWHSJHI-ZIAGYGMSSA-N	1	0	371.466	1.443	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]Cc2nccn2C)[C@H](C)C1	ZINC001094173932	959973886	/nfs/dbraw/zinc/97/38/86/959973886.db2.gz	GYOYDCYAAPQNTR-HZPDHXFCSA-N	1	0	367.453	1.325	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H]3CCN(CC=C)C3=O)[C@H](C)C2)nc1	ZINC001094174315	959977548	/nfs/dbraw/zinc/97/75/48/959977548.db2.gz	FUBNJWGRTQAYKB-SUMDDJOVSA-N	1	0	366.465	1.148	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3ccccc3OC)C[C@H]2C)C1=O	ZINC001094182270	959999270	/nfs/dbraw/zinc/99/92/70/959999270.db2.gz	ROTKQPQMCBFYFW-JFIYKMOQSA-N	1	0	371.481	1.780	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C(=O)N(C)C)c2)C1	ZINC001197849857	972474205	/nfs/dbraw/zinc/47/42/05/972474205.db2.gz	DGMWYTYTHWBSDO-ZTFGCOKTSA-N	1	0	359.470	1.518	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3ccn(C)n3)C[C@H]2C)cc1C#N	ZINC001094221785	960050168	/nfs/dbraw/zinc/05/01/68/960050168.db2.gz	UZCWAGZOBYFJFN-RHSMWYFYSA-N	1	0	367.453	1.798	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(=O)ccoc3c2)C1	ZINC001197851396	972476693	/nfs/dbraw/zinc/47/66/93/972476693.db2.gz	NYTQDCVCJQGIAM-MZMPZRCHSA-N	1	0	356.422	1.923	20	30		FDEDRO
CC(=O)N1CC[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3ccccc3C#N)[C@H](C)C2)C1	ZINC001094193264	960083761	/nfs/dbraw/zinc/08/37/61/960083761.db2.gz	QXIWGURNKHSUHU-UIAACRFSSA-N	1	0	368.481	1.611	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001094245502	960175993	/nfs/dbraw/zinc/17/59/93/960175993.db2.gz	LNBIMQICPDTQRD-RHSMWYFYSA-N	1	0	367.453	1.093	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@@]3(CNC(=O)c4cc(C)n[nH]4)CCC[C@@H]23)C1=O	ZINC001094372060	960289958	/nfs/dbraw/zinc/28/99/58/960289958.db2.gz	NXNFUWHYMYHJCH-SQGPQFPESA-N	1	0	371.485	1.479	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](CC)OC	ZINC001110156112	960317346	/nfs/dbraw/zinc/31/73/46/960317346.db2.gz	UMZHTSCAODMDNW-UGUYLWEFSA-N	1	0	366.506	1.397	20	30		FDEDRO
C#C[C@H]([NH2+][C@H](C)C(=O)NCCc1ccc(OC)c(OC)c1)[C@H]1CCCO1	ZINC000775790829	972498839	/nfs/dbraw/zinc/49/88/39/972498839.db2.gz	JCIZTLHFIRGMDR-HYVNUMGLSA-N	1	0	360.454	1.521	20	30		FDEDRO
C#C[C@H](NCC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)[C@@H]1CCCO1	ZINC000775789308	972502784	/nfs/dbraw/zinc/50/27/84/972502784.db2.gz	CPFNGVBGZJQPES-SFTDATJTSA-N	1	0	369.509	1.800	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CNC(=O)c4ccccc43)CCC[C@@H]12	ZINC001094433461	960445768	/nfs/dbraw/zinc/44/57/68/960445768.db2.gz	LPNHXIHKWCHDJJ-WAOWUJCRSA-N	1	0	351.450	1.508	20	30		FDEDRO
C#C[C@H](NC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1)[C@H]1CCCO1	ZINC000773289339	960460166	/nfs/dbraw/zinc/46/01/66/960460166.db2.gz	DARPWLGOLUUQDP-ZWKOTPCHSA-N	1	0	363.502	1.890	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cc4c(cn3)OCCO4)CCC[C@@H]12	ZINC001094436377	960479311	/nfs/dbraw/zinc/47/93/11/960479311.db2.gz	OTROMDQLKSSYSO-UYAOXDASSA-N	1	0	355.438	1.851	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)N(C)C)CC3)cc1	ZINC001094487258	960577504	/nfs/dbraw/zinc/57/75/04/960577504.db2.gz	QKYDQINEGJSXSV-WIYYLYMNSA-N	1	0	353.466	1.731	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4[nH]c(=O)[nH]c4n3)CCC[C@@H]12	ZINC001094497788	960616227	/nfs/dbraw/zinc/61/62/27/960616227.db2.gz	LMNQEKFTAYZGBK-DNVCBOLYSA-N	1	0	353.426	1.661	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4nnn(C)c4C3)CCC[C@@H]12	ZINC001094498161	960616248	/nfs/dbraw/zinc/61/62/48/960616248.db2.gz	ZMLITBDJUMDKGO-XFQXTVEOSA-N	1	0	355.486	1.304	20	30		FDEDRO
N#Cc1cc(CC(=O)N(Cc2ccccc2)C2(C[NH3+])COC2)ccc1F	ZINC001181195710	960650931	/nfs/dbraw/zinc/65/09/31/960650931.db2.gz	MPIAQFLAEILXOL-UHFFFAOYSA-N	1	0	353.397	1.996	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCn1cccn1)CC2	ZINC001094516138	960708343	/nfs/dbraw/zinc/70/83/43/960708343.db2.gz	NCBYQCGSSFCVDA-AJYBTWMASA-N	1	0	358.486	1.835	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C3CCS(=O)(=O)CC3)CCC[C@@H]12	ZINC001094528431	960730920	/nfs/dbraw/zinc/73/09/20/960730920.db2.gz	YYYRVXPYOJBUTQ-SJLPKXTDSA-N	1	0	352.500	1.195	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(CNC(C)=O)o3)CCC[C@@H]12	ZINC001094537223	960759667	/nfs/dbraw/zinc/75/96/67/960759667.db2.gz	RRVRMGURGSPOOC-UYAOXDASSA-N	1	0	357.454	1.913	20	30		FDEDRO
N#Cc1ccccc1C[N@@H+]1CC[C@@]2(CNC(=O)c3nnc[nH]3)CCC[C@@H]12	ZINC001094538394	960766956	/nfs/dbraw/zinc/76/69/56/960766956.db2.gz	DSCOBGBTKWSGNO-VQIMIIECSA-N	1	0	350.426	1.851	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)N(C)C)CC3)cn1	ZINC001094563429	960821296	/nfs/dbraw/zinc/82/12/96/960821296.db2.gz	VVLNNTLXWADAGF-YLJYHZDGSA-N	1	0	354.454	1.126	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4c(c3)C(=O)NC4=O)CCC[C@@H]12	ZINC001094564113	960825634	/nfs/dbraw/zinc/82/56/34/960825634.db2.gz	UQWSHLQZZABCST-OXQOHEQNSA-N	1	0	351.406	1.178	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@@]3(CNC(=O)c4[nH]cnc4C)CCC[C@@H]23)C1=O	ZINC001094591713	960925691	/nfs/dbraw/zinc/92/56/91/960925691.db2.gz	YCRBWSBYCMPFDQ-RZQQEMMASA-N	1	0	371.485	1.479	20	30		FDEDRO
C#C[C@@H](C)N(C)C(=O)C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1	ZINC000773944035	961090753	/nfs/dbraw/zinc/09/07/53/961090753.db2.gz	VPCIBOSOIKOODF-QGZVFWFLSA-N	1	0	370.497	1.944	20	30		FDEDRO
COC(=O)C1(Nc2ccc(C#N)nn2)CC[NH+](Cc2ccccc2)CC1	ZINC001171503866	961209358	/nfs/dbraw/zinc/20/93/58/961209358.db2.gz	PGAPWFFHBUZNLI-UHFFFAOYSA-N	1	0	351.410	1.968	20	30		FDEDRO
C=CCOC(=O)N[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)C1	ZINC001171721406	961267691	/nfs/dbraw/zinc/26/76/91/961267691.db2.gz	RAPGBIMMTWZLKH-KBPBESRZSA-N	1	0	367.446	1.899	20	30		FDEDRO
COc1ccc(C#CC(=O)N(c2ccc(C[NH3+])cc2)S(C)(=O)=O)cc1	ZINC001182048074	961378378	/nfs/dbraw/zinc/37/83/78/961378378.db2.gz	FEUMSVHZSCGEEO-UHFFFAOYSA-N	1	0	358.419	1.498	20	30		FDEDRO
C[C@H](CCCC#N)[N@@H+]1C[C@H]2N(c3ncccn3)CCC[C@@]2(C(=O)N(C)C)C1	ZINC001172498613	961688474	/nfs/dbraw/zinc/68/84/74/961688474.db2.gz	NAUSHHXYAAELDO-MBOZVWFJSA-N	1	0	370.501	1.918	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=O)C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1	ZINC000774135273	961759049	/nfs/dbraw/zinc/75/90/49/961759049.db2.gz	UTIWRVBVSYSUFC-HUUCEWRRSA-N	1	0	350.463	1.738	20	30		FDEDRO
C#CCN(C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1	ZINC000774172410	961803688	/nfs/dbraw/zinc/80/36/88/961803688.db2.gz	XLOOTNGLFJKKIR-OWCLPIDISA-N	1	0	355.504	1.081	20	30		FDEDRO
C#CCN(C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1	ZINC000774195390	961820428	/nfs/dbraw/zinc/82/04/28/961820428.db2.gz	HYEXJNGDZBMPCJ-VQHPVUNQSA-N	1	0	369.531	1.185	20	30		FDEDRO
C#CCN(C(=O)NCCC[NH+](CCC)CCC)[C@H]1CCS(=O)(=O)C1	ZINC000774199775	961825633	/nfs/dbraw/zinc/82/56/33/961825633.db2.gz	MNXYZCCNGHRFTK-INIZCTEOSA-N	1	0	357.520	1.330	20	30		FDEDRO
C#CCN(C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1	ZINC000774210883	961838556	/nfs/dbraw/zinc/83/85/56/961838556.db2.gz	RAEHQKMIVJUVCE-OAGGEKHMSA-N	1	0	355.504	1.081	20	30		FDEDRO
C#CCN(C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1	ZINC000774210882	961839067	/nfs/dbraw/zinc/83/90/67/961839067.db2.gz	RAEHQKMIVJUVCE-BZUAXINKSA-N	1	0	355.504	1.081	20	30		FDEDRO
C[NH+](C)CCN1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1	ZINC001172980989	961864155	/nfs/dbraw/zinc/86/41/55/961864155.db2.gz	RPMHKDJUTKWZTO-SJORKVTESA-N	1	0	365.522	1.457	20	30		FDEDRO
COC(=O)[C@H](CS)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2C)C1	ZINC001182341849	961869213	/nfs/dbraw/zinc/86/92/13/961869213.db2.gz	AYORBSMAALPEKU-HOTGVXAUSA-N	1	0	350.484	1.795	20	30		FDEDRO
C#CCN(C(=O)NCC[N@H+]1CCCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1	ZINC000774220137	961901177	/nfs/dbraw/zinc/90/11/77/961901177.db2.gz	CINHLZIUOXTEFV-CVEARBPZSA-N	1	0	355.504	1.083	20	30		FDEDRO
CCCCCCCC[C@H](CCC)[NH2+]CC(=O)NCC(=O)NCC(N)=O	ZINC001173309460	961998560	/nfs/dbraw/zinc/99/85/60/961998560.db2.gz	IEKSWVPWPMZJFY-HNNXBMFYSA-N	1	0	356.511	1.213	20	30		FDEDRO
CCCCCCCCC[C@H](CCC)[NH2+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O	ZINC001173284447	962000202	/nfs/dbraw/zinc/00/02/02/962000202.db2.gz	HFMDLGKAZGKXGA-BVPSZOQCSA-N	1	0	361.523	1.685	20	30		FDEDRO
C=CCOC1CCC([NH2+][C@@H]2C[C@H](OCCO)[C@H]3OC(C)(C)O[C@@H]23)CC1	ZINC001173315678	962015896	/nfs/dbraw/zinc/01/58/96/962015896.db2.gz	PEWBNCXQXXFXBK-GLFZBCHFSA-N	1	0	355.475	1.760	20	30		FDEDRO
CC(=O)N1C[C@H]2C[C@@]2([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1	ZINC001173422610	962120642	/nfs/dbraw/zinc/12/06/42/962120642.db2.gz	SRVMHHOCZVMNLU-YLJYHZDGSA-N	1	0	352.438	1.373	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+]CCCc3c[nH][nH]c3=O)CC2)cc1	ZINC001173424201	962124776	/nfs/dbraw/zinc/12/47/76/962124776.db2.gz	VGCIGPYRJKRAOP-INIZCTEOSA-N	1	0	353.426	1.264	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+]CCN3CCC[C@@H](O)C3)CC2)cc1	ZINC001173425449	962131528	/nfs/dbraw/zinc/13/15/28/962131528.db2.gz	VQONJJGODYIHSC-LJQANCHMSA-N	1	0	356.470	1.209	20	30		FDEDRO
C#CCOCCOCC[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1	ZINC001173428990	962143720	/nfs/dbraw/zinc/14/37/20/962143720.db2.gz	ZFLSZCIUHVBGAV-UHFFFAOYSA-N	1	0	355.438	1.419	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([N@@H+]3CCN4C(=O)CC[C@@H]4C3)CC2)cc1	ZINC001173432475	962150139	/nfs/dbraw/zinc/15/01/39/962150139.db2.gz	BHRAZZGJSKNIDU-GOSISDBHSA-N	1	0	352.438	1.469	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCCO1)C2	ZINC001110313967	962242168	/nfs/dbraw/zinc/24/21/68/962242168.db2.gz	ZGSHHQCEOJBXJS-TVFCKZIOSA-N	1	0	363.502	1.702	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCCO1)C2	ZINC001110313968	962242996	/nfs/dbraw/zinc/24/29/96/962242996.db2.gz	ZGSHHQCEOJBXJS-XDNAFOTISA-N	1	0	363.502	1.702	20	30		FDEDRO
C#CC(C)(C)C(=O)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O	ZINC001182635299	962350202	/nfs/dbraw/zinc/35/02/02/962350202.db2.gz	DBEVHVAMQMVEGM-UHFFFAOYSA-N	1	0	361.467	1.491	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2nccs2)C1	ZINC001182669868	962379973	/nfs/dbraw/zinc/37/99/73/962379973.db2.gz	CTBOSGMCLVXBCN-MCIONIFRSA-N	1	0	364.471	1.253	20	30		FDEDRO
CN(C)C(=O)CN1CC[C@@]2(CCC[N@@H+](C3CCC(C)(C#N)CC3)C2)C1=O	ZINC001173594724	962470382	/nfs/dbraw/zinc/47/03/82/962470382.db2.gz	KFVYAWPLYKJYER-RRWXTXHCSA-N	1	0	360.502	1.862	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)Nc1c(C(=O)OC)nnn1Cc1ccccc1	ZINC001183039622	962750687	/nfs/dbraw/zinc/75/06/87/962750687.db2.gz	UIPMQPBGKYNTCL-UHFFFAOYSA-N	1	0	369.425	1.704	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CCC2(C[C@@H](c3cccnc3)C(=O)N2)CC1	ZINC001183042783	962754440	/nfs/dbraw/zinc/75/44/40/962754440.db2.gz	DMSHZMKETZYUSQ-SFHVURJKSA-N	1	0	368.481	1.698	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CCC[C@]2(CCN(c3cncnc3)C2=O)C1	ZINC001183043002	962754459	/nfs/dbraw/zinc/75/44/59/962754459.db2.gz	JHJQYNAJWZVOHI-FQEVSTJZSA-N	1	0	369.469	1.474	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)NC[C@@H]1COCCN1C(=O)OC(C)(C)C	ZINC001183085640	962783054	/nfs/dbraw/zinc/78/30/54/962783054.db2.gz	DHZWHMADFMAUES-OAHLLOKOSA-N	1	0	353.463	1.391	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)NC[C@H]1COCCN1C(=O)OC(C)(C)C	ZINC001183085639	962783388	/nfs/dbraw/zinc/78/33/88/962783388.db2.gz	DHZWHMADFMAUES-HNNXBMFYSA-N	1	0	353.463	1.391	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(C)CCc3ccccc31)C2	ZINC001110177281	963002196	/nfs/dbraw/zinc/00/21/96/963002196.db2.gz	JVOCXUXIDYEBGZ-ONZODILHSA-N	1	0	365.477	1.361	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CCN(C(=O)[C@H]3CCN(c4cc[nH+]cc4)C3)C2)nc1	ZINC001183611693	963143279	/nfs/dbraw/zinc/14/32/79/963143279.db2.gz	OQIJUWLOYLUZAR-WMZOPIPTSA-N	1	0	363.421	1.854	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1OCC[C@H]1C	ZINC001175358169	963163852	/nfs/dbraw/zinc/16/38/52/963163852.db2.gz	JIQHTWOFICEBQN-AOIWGVFYSA-N	1	0	365.518	1.877	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)N(CC)CC	ZINC001175365433	963170216	/nfs/dbraw/zinc/17/02/16/963170216.db2.gz	KZLHUUPLDTVUQQ-BBWFWOEESA-N	1	0	353.507	1.711	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N(C3CC3)C3CC[NH2+]CC3)cc2C1=O	ZINC000644096209	1013402557	/nfs/dbraw/zinc/40/25/57/1013402557.db2.gz	GCPUVNORYVDYNR-UHFFFAOYSA-N	1	0	353.422	1.825	20	30		FDEDRO
CS(=O)(=O)N(C(=O)[C@@H](C#N)Cc1ccc(O)cc1)c1ccc(C[NH3+])cc1	ZINC001183615391	963191684	/nfs/dbraw/zinc/19/16/84/963191684.db2.gz	DESIIHNGDNAMPC-OAHLLOKOSA-N	1	0	373.434	1.526	20	30		FDEDRO
CS(=O)(=O)N(C(=O)[C@H](C#N)Cc1ccc(O)cc1)c1ccc(C[NH3+])cc1	ZINC001183615389	963191957	/nfs/dbraw/zinc/19/19/57/963191957.db2.gz	DESIIHNGDNAMPC-HNNXBMFYSA-N	1	0	373.434	1.526	20	30		FDEDRO
C=CCN1CC[C@@H](N2[C@@H]3CC[C@H]2[C@H](NC(=O)CSCCC)C3)C1=O	ZINC001110337301	963220611	/nfs/dbraw/zinc/22/06/11/963220611.db2.gz	ABALZVHCAJCMSX-LVQVYYBASA-N	1	0	351.516	1.638	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@]2(C)CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)c1	ZINC000957537459	1013407670	/nfs/dbraw/zinc/40/76/70/1013407670.db2.gz	JYNBDEZQZVYOBR-WAOWUJCRSA-N	1	0	368.481	1.514	20	30		FDEDRO
N#Cc1ccccc1CN1CCCC[C@@H]1C(=O)N1CCC2(C1)OCCO2	ZINC001183831684	963301628	/nfs/dbraw/zinc/30/16/28/963301628.db2.gz	PFFYWEODJFFEEY-GOSISDBHSA-N	1	0	355.438	1.888	20	30		FDEDRO
Cc1[nH]c2ccc(C#N)cc2c1CC(=O)NCCN1CCC[N@@H+](C)CC1	ZINC001183891091	963327615	/nfs/dbraw/zinc/32/76/15/963327615.db2.gz	IDWQUZBWTHPSKO-UHFFFAOYSA-N	1	0	353.470	1.644	20	30		FDEDRO
C#C[C@H](NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@@H]1CCCO1	ZINC000773554025	963382562	/nfs/dbraw/zinc/38/25/62/963382562.db2.gz	DGSQUWCXVPOBNE-PMACEKPBSA-N	1	0	371.481	1.623	20	30		FDEDRO
C#C[C@H](NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)[C@H]1CCCO1	ZINC000773554928	963382615	/nfs/dbraw/zinc/38/26/15/963382615.db2.gz	GBWVGEVFQRNIHD-JKHFOPOESA-N	1	0	360.502	1.120	20	30		FDEDRO
COC(=O)C1(C#N)CCN(C(=O)C2CC[NH+](Cc3ccccn3)CC2)CC1	ZINC001177210232	963705832	/nfs/dbraw/zinc/70/58/32/963705832.db2.gz	AYLPFBVFVPAVEY-UHFFFAOYSA-N	1	0	370.453	1.599	20	30		FDEDRO
C[N@@H+]1CCCN(CCNC(=O)c2cc(Cl)c(C#N)c(Cl)n2)CC1	ZINC001184818358	963724988	/nfs/dbraw/zinc/72/49/88/963724988.db2.gz	PYBXBMMZBROGGQ-UHFFFAOYSA-N	1	0	356.257	1.627	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CCC[NH2+][C@H](C)C(=O)NC)CC1CCCC1	ZINC001177423904	963825022	/nfs/dbraw/zinc/82/50/22/963825022.db2.gz	WKNQODDOOTZDQS-NXHRZFHOSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCN1CC(O)(CN(Cc2ccccc2)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001177530112	963867015	/nfs/dbraw/zinc/86/70/15/963867015.db2.gz	WQWGFYABDBHVJA-VQTJNVASSA-N	1	0	371.525	1.978	20	30		FDEDRO
N#Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CC[N@@H+](C2CC2)C1	ZINC001185299947	963905398	/nfs/dbraw/zinc/90/53/98/963905398.db2.gz	GQVIQAYFQPBCLP-LLVKDONJSA-N	1	0	350.400	1.229	20	30		FDEDRO
N#Cc1cc(CC(=O)N2CCC(COCC[NH+]3CCCC3)CC2)ccn1	ZINC001177663230	963919912	/nfs/dbraw/zinc/91/99/12/963919912.db2.gz	ZMQAJJCBHPZTRO-UHFFFAOYSA-N	1	0	356.470	1.847	20	30		FDEDRO
CC(C)([NH3+])CN(C(=O)Cc1ccnc(C#N)c1)S(=O)(=O)c1ccccc1	ZINC001177672338	963922738	/nfs/dbraw/zinc/92/27/38/963922738.db2.gz	FHSLSKQGKLOUDX-UHFFFAOYSA-N	1	0	372.450	1.451	20	30		FDEDRO
O=C(C#Cc1ccccn1)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1	ZINC001177801768	963975554	/nfs/dbraw/zinc/97/55/54/963975554.db2.gz	JGTBPEBFDDKSFI-UHFFFAOYSA-N	1	0	373.420	1.146	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3n(c1)CCCC3)C2	ZINC001110216591	964102979	/nfs/dbraw/zinc/10/29/79/964102979.db2.gz	VLSDQKBIWOVFAT-OAOYMFHYSA-N	1	0	370.497	1.850	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1	ZINC000651159502	1013471040	/nfs/dbraw/zinc/47/10/40/1013471040.db2.gz	ZKRFUTWOOGUGKW-GOSISDBHSA-N	1	0	358.486	1.589	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@H](C)c2cc(OC)c(OC)cc2C)CC1	ZINC000774945149	964154983	/nfs/dbraw/zinc/15/49/83/964154983.db2.gz	GUHAEPJQTKLIIG-MRXNPFEDSA-N	1	0	359.470	1.440	20	30		FDEDRO
C#CCC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)C2)nn1	ZINC001185974839	964244184	/nfs/dbraw/zinc/24/41/84/964244184.db2.gz	QDIAMQXPVOJPLU-QRVBRYPASA-N	1	0	371.485	1.370	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCCCCCC[NH2+]CCN1CCCC1=O	ZINC001178506460	964260584	/nfs/dbraw/zinc/26/05/84/964260584.db2.gz	VSALFIBVANZHBM-MSOLQXFVSA-N	1	0	365.518	1.856	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCCCCCC[NH2+]CCN1CCNC1=O	ZINC001178509377	964262861	/nfs/dbraw/zinc/26/28/61/964262861.db2.gz	OZXHLPFSCSGYON-SJORKVTESA-N	1	0	366.506	1.259	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CCCCC2)C1	ZINC001186243799	964370291	/nfs/dbraw/zinc/37/02/91/964370291.db2.gz	VJAABJFWLQFRKP-AOIWGVFYSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(C)(C)C)C1	ZINC001186214465	964379531	/nfs/dbraw/zinc/37/95/31/964379531.db2.gz	ZWWJVNVRIULRTM-VYDXJSESSA-N	1	0	351.491	1.463	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)[C@H]1C	ZINC001178735922	964407140	/nfs/dbraw/zinc/40/71/40/964407140.db2.gz	KNXFFCXLRMRLFH-APAFKAMOSA-N	1	0	372.513	1.930	20	30		FDEDRO
C=C1CCC(C(=O)NC[C@@H]2COCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC000964332818	1013497535	/nfs/dbraw/zinc/49/75/35/1013497535.db2.gz	XBGGLLVNRULNMG-KBAYOESNSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](C[NH2+]CCOC)C2(C1)CCOCC2	ZINC001186374543	964483095	/nfs/dbraw/zinc/48/30/95/964483095.db2.gz	ZSZYPRSGRBUTFG-KSZLIROESA-N	1	0	366.502	1.459	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@]23CCC[C@H]2OCC3)CC12CCOCC2	ZINC001186424177	964502665	/nfs/dbraw/zinc/50/26/65/964502665.db2.gz	GOYMFTSFQLFALA-OPYAIIAOSA-N	1	0	360.498	1.814	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCF)C2(C1)CCOCC2	ZINC001186494295	964522050	/nfs/dbraw/zinc/52/20/50/964522050.db2.gz	KMGIKONBOJKXKY-ZACQAIPSSA-N	1	0	354.466	1.782	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](C[NH2+]CCCOC)C2(C1)CCOCC2	ZINC001186494723	964523060	/nfs/dbraw/zinc/52/30/60/964523060.db2.gz	OEGBGZOJBCBYEV-KSZLIROESA-N	1	0	366.502	1.459	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1cccc(C[NH+](CC)CC)c1)[C@@H]1CCCO1	ZINC000773787701	964601971	/nfs/dbraw/zinc/60/19/71/964601971.db2.gz	JEXUHDMVEHISTQ-ROUUACIJSA-N	1	0	357.454	1.764	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC1CC(C[NH2+]Cc2ccccc2C#N)C1	ZINC000962313273	1013520290	/nfs/dbraw/zinc/52/02/90/1013520290.db2.gz	CYXCPNZUSCNOGF-GGXGYQBMSA-N	1	0	354.454	1.267	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCCO1	ZINC000773799646	964708574	/nfs/dbraw/zinc/70/85/74/964708574.db2.gz	UAPJIHJHRUOSFT-RTBURBONSA-N	1	0	369.465	1.908	20	30		FDEDRO
CCCC(=O)NCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001187116906	964992464	/nfs/dbraw/zinc/99/24/64/964992464.db2.gz	GDFHVAQQNOOBKA-ZWKOTPCHSA-N	1	0	354.454	1.507	20	30		FDEDRO
CCCC(=O)NCC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001187117414	964994006	/nfs/dbraw/zinc/99/40/06/964994006.db2.gz	PCFHDETWMDWPLP-ZWKOTPCHSA-N	1	0	354.454	1.507	20	30		FDEDRO
C=CCN1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)OC)CC1	ZINC001180407241	965310728	/nfs/dbraw/zinc/31/07/28/965310728.db2.gz	JHFITMRGAPKVBK-RBUKOAKNSA-N	1	0	371.481	1.238	20	30		FDEDRO
COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NC1(C#N)CCOCC1	ZINC001180409199	965315292	/nfs/dbraw/zinc/31/52/92/965315292.db2.gz	CNBDOJBAUZOVEN-DLBZAZTESA-N	1	0	371.437	1.097	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)c3cccc(F)c3)C[C@H]21	ZINC001187598152	965517271	/nfs/dbraw/zinc/51/72/71/965517271.db2.gz	GDIULGCFOSGUGK-QILLFSRXSA-N	1	0	357.429	1.559	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCc4ccccc43)C[C@H]21	ZINC001187605576	965554911	/nfs/dbraw/zinc/55/49/11/965554911.db2.gz	LRDWBFJZXVMQCG-YTQUADARSA-N	1	0	351.450	1.346	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](CCCCC(F)(F)F)C[C@H]21	ZINC001187605951	965557317	/nfs/dbraw/zinc/55/73/17/965557317.db2.gz	ZSTFXSZIESPRLO-UONOGXRCSA-N	1	0	359.392	1.391	20	30		FDEDRO
CNC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C#CC(C)C)[C@@H]3C2)cc1	ZINC001187805316	965751929	/nfs/dbraw/zinc/75/19/29/965751929.db2.gz	UZJQPJDOGKIPGW-RBUKOAKNSA-N	1	0	353.466	1.738	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(C(=O)NC)c3)C[C@H]21	ZINC001187865437	965809181	/nfs/dbraw/zinc/80/91/81/965809181.db2.gz	NZQIYTDKGJDJBX-ZYSHUDEJSA-N	1	0	369.465	1.117	20	30		FDEDRO
C=CCCOCCCCC(=O)N1CC[C@H]2C[N@H+](CCn3cncn3)C[C@H]21	ZINC001187904458	965848831	/nfs/dbraw/zinc/84/88/31/965848831.db2.gz	SKLQHPKIEIMTTP-ZWKOTPCHSA-N	1	0	361.490	1.574	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](Cc3ccccc3)OC)C[C@H]21	ZINC001187874145	965868535	/nfs/dbraw/zinc/86/85/35/965868535.db2.gz	MOJXYYNNVWWIQT-PCCBWWKXSA-N	1	0	370.493	1.817	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)c3cc(CC)ccn3)[C@@H]2C1	ZINC001188004443	965957073	/nfs/dbraw/zinc/95/70/73/965957073.db2.gz	JOBNNOGSFKHJAJ-UWWQBHOKSA-N	1	0	356.470	1.481	20	30		FDEDRO
C=C(C)CCC(=O)N1CC[C@H]2CN(CC(=O)NC(=O)NCC(C)C)C[C@H]21	ZINC001188081091	965996568	/nfs/dbraw/zinc/99/65/68/965996568.db2.gz	WXWDNHBHQXLZMX-JKSUJKDBSA-N	1	0	364.490	1.357	20	30		FDEDRO
C=C(C)CCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(c4cnn(C)c4)C3=O)C[C@H]21	ZINC001188086885	965998094	/nfs/dbraw/zinc/99/80/94/965998094.db2.gz	FBIKZSCWMLKGLB-CGTJXYLNSA-N	1	0	371.485	1.414	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1CC[C@H]2C[N@H+](CCc3ccnn3C)C[C@H]21)OCC	ZINC001188095045	966005609	/nfs/dbraw/zinc/00/56/09/966005609.db2.gz	DQJXCXVUMPJLGC-UHOSZYNNSA-N	1	0	360.502	1.867	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2C[N@@H+]([C@@H](CCCC)C(N)=O)C[C@H]21	ZINC001188212401	966126973	/nfs/dbraw/zinc/12/69/73/966126973.db2.gz	IFDPESAIANVFCC-XYJFISCASA-N	1	0	358.486	1.865	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc4c3NC(=O)CO4)[C@@H]2C1	ZINC001188226592	966137946	/nfs/dbraw/zinc/13/79/46/966137946.db2.gz	SCRJDBHJYCKJQW-GOEBONIOSA-N	1	0	371.437	1.366	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3nc4ncc(C)cn4n3)[C@@H]2C1	ZINC001188285648	966187427	/nfs/dbraw/zinc/18/74/27/966187427.db2.gz	LJZFRPHPJANEDZ-OWCLPIDISA-N	1	0	354.458	1.934	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)[C@@H]2C1	ZINC001188485867	966315784	/nfs/dbraw/zinc/31/57/84/966315784.db2.gz	OOKJWYCZHXRKME-YESZJQIVSA-N	1	0	354.516	1.700	20	30		FDEDRO
C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)[NH+]1CCCCC1	ZINC000780721099	966349928	/nfs/dbraw/zinc/34/99/28/966349928.db2.gz	WUHCZIFZEDFPNT-GFCCVEGCSA-N	1	0	352.416	1.619	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4[nH]nc(C)c4c3)[C@@H]2C1	ZINC001188535615	966407027	/nfs/dbraw/zinc/40/70/27/966407027.db2.gz	FSYMUNNHVYKVCB-QFBILLFUSA-N	1	0	352.438	1.667	20	30		FDEDRO
C#CCCCCCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21	ZINC001188793632	966557119	/nfs/dbraw/zinc/55/71/19/966557119.db2.gz	KEHFTAFXNFTYMQ-IPMKNSEASA-N	1	0	358.486	1.360	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3C[N@H+](CCOC[C@H]4CCCO4)C[C@H]32)c1	ZINC001189076555	966751425	/nfs/dbraw/zinc/75/14/25/966751425.db2.gz	CQNCJPISAVEHNB-DFQSSKMNSA-N	1	0	369.465	1.405	20	30		FDEDRO
C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cc(F)c(F)c(F)c3)[C@@H]2C1	ZINC001189219603	966867324	/nfs/dbraw/zinc/86/73/24/966867324.db2.gz	YSNIJXQUQHCZLM-XHDPSFHLSA-N	1	0	367.371	1.552	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cn4cccc(C)c4n3)[C@@H]2C1	ZINC001189420277	966966324	/nfs/dbraw/zinc/96/63/24/966966324.db2.gz	UZYZULVRFDVZAF-PKOBYXMFSA-N	1	0	366.465	1.368	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCCS(=O)(=O)C3)[C@@H]2C1	ZINC001189675395	967142415	/nfs/dbraw/zinc/14/24/15/967142415.db2.gz	GVNZHVWKOVBVLM-IXDOHACOSA-N	1	0	354.516	1.700	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H](C)C(=O)N(CC)CC)C[C@H]32)nc1	ZINC001189844839	967347532	/nfs/dbraw/zinc/34/75/32/967347532.db2.gz	YJELPUGUDXBRBS-HHXXYDBFSA-N	1	0	368.481	1.466	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CNS(=O)(=O)CCCC)[C@@H]2C1	ZINC001189969933	967425156	/nfs/dbraw/zinc/42/51/56/967425156.db2.gz	QISIRCYJNDWZRP-YESZJQIVSA-N	1	0	371.547	1.593	20	30		FDEDRO
C#C[C@H](NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)C1CCOCC1	ZINC000852640551	967491510	/nfs/dbraw/zinc/49/15/10/967491510.db2.gz	DTHBBTOQHFNECJ-IBGZPJMESA-N	1	0	363.502	1.559	20	30		FDEDRO
C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N	ZINC001190052211	967520138	/nfs/dbraw/zinc/52/01/38/967520138.db2.gz	FSRSWWFHKWBPTD-IUODEOHRSA-N	1	0	364.427	1.714	20	30		FDEDRO
CC(C)(C)C(=O)NCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001190148833	967563383	/nfs/dbraw/zinc/56/33/83/967563383.db2.gz	KLMTYEVUJFPUSP-ZWKOTPCHSA-N	1	0	368.481	1.753	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2C1	ZINC001190124723	967582623	/nfs/dbraw/zinc/58/26/23/967582623.db2.gz	DVXSIJNJUSEENJ-DLBZAZTESA-N	1	0	356.422	1.254	20	30		FDEDRO
C=CCNC(=O)c1ccccc1NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1	ZINC000852801812	967617735	/nfs/dbraw/zinc/61/77/35/967617735.db2.gz	ADGROIYNGYPLFM-AWEZNQCLSA-N	1	0	368.441	1.761	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NC1CCN(C(=O)Nc2ccccc2)CC1	ZINC000852807584	967622025	/nfs/dbraw/zinc/62/20/25/967622025.db2.gz	WRHZAZPHZJKOOU-UHFFFAOYSA-N	1	0	354.454	1.802	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3nc(C)cc3C)[C@@H]2C1	ZINC001190178305	967630052	/nfs/dbraw/zinc/63/00/52/967630052.db2.gz	WPSIZWCFVHZTBZ-CEXWTWQISA-N	1	0	358.486	1.634	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CC2([NH3+])CC2)cc1	ZINC000852818099	967631024	/nfs/dbraw/zinc/63/10/24/967631024.db2.gz	QAPALTGSROFBMY-RGEXLXHISA-N	1	0	350.444	1.319	20	30		FDEDRO
N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(Br)cc(N2CCCC2)c1	ZINC000852828148	967638731	/nfs/dbraw/zinc/63/87/31/967638731.db2.gz	UEFJETFMECVYQJ-WFASDCNBSA-N	1	0	363.259	1.891	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCN(Cc2cccc(Cl)c2)C(=O)C1	ZINC000852853546	967659523	/nfs/dbraw/zinc/65/95/23/967659523.db2.gz	IQCYZSKYLCBKMO-UHFFFAOYSA-N	1	0	359.857	1.514	20	30		FDEDRO
C[C@H]1CN(c2ccc(CNC(=O)C#CC3CC[NH2+]CC3)cn2)C[C@H](C)O1	ZINC000852857940	967661937	/nfs/dbraw/zinc/66/19/37/967661937.db2.gz	KQFKPJREJMRKFS-HOTGVXAUSA-N	1	0	356.470	1.314	20	30		FDEDRO
CC(C)[C@@H](NC(=O)C#CC1CC[NH2+]CC1)c1nc(-c2ccncc2)no1	ZINC000852864428	967669321	/nfs/dbraw/zinc/66/93/21/967669321.db2.gz	VIMZCLYXGSISIU-QGZVFWFLSA-N	1	0	353.426	1.948	20	30		FDEDRO
C[C@H](NC(=O)C#CC1CC[NH2+]CC1)c1cc(F)ccc1N1CCC(O)CC1	ZINC000852865816	967671255	/nfs/dbraw/zinc/67/12/55/967671255.db2.gz	PQPOSELIKWBSSD-HNNXBMFYSA-N	1	0	373.472	1.967	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N[C@@H](Cc1ccccc1)CN1CCOCC1	ZINC000852867055	967673863	/nfs/dbraw/zinc/67/38/63/967673863.db2.gz	OXZOHNOWZJELBJ-FQEVSTJZSA-N	1	0	355.482	1.049	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c(C)n[nH]c3C)[C@@H]2C1	ZINC001190241071	967688398	/nfs/dbraw/zinc/68/83/98/967688398.db2.gz	NTDRVLONIJYUEM-UCLAIMLFSA-N	1	0	360.502	1.940	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NCCc1ccc(OCC(F)(F)F)nc1	ZINC000852889407	967692299	/nfs/dbraw/zinc/69/22/99/967692299.db2.gz	OSQIQLMVNOYWRK-UHFFFAOYSA-N	1	0	355.360	1.684	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)NC(=O)c3ccco3)[C@@H]2C1	ZINC001190262447	967700845	/nfs/dbraw/zinc/70/08/45/967700845.db2.gz	BNWOALOSJIROHX-HRCADAONSA-N	1	0	361.442	1.133	20	30		FDEDRO
COC(=O)c1cnc([C@@H]2CCCN(C(=O)C#CC3CC[NH2+]CC3)C2)s1	ZINC000852924981	967714286	/nfs/dbraw/zinc/71/42/86/967714286.db2.gz	TVFVZDOKWWSSRE-CQSZACIVSA-N	1	0	361.467	1.639	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C(N)=O)cc3)C[C@H]21	ZINC001190425214	967840882	/nfs/dbraw/zinc/84/08/82/967840882.db2.gz	RJPMCUYQBOLNPG-ZWKOTPCHSA-N	1	0	357.454	1.411	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)N3CCCCC3)C[C@H]21	ZINC001190439711	967849923	/nfs/dbraw/zinc/84/99/23/967849923.db2.gz	BVLGMWDYKYFIKN-OKZBNKHCSA-N	1	0	363.502	1.513	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)COc3ccc(F)c(F)c3)[C@@H]2C1	ZINC001190501174	967903891	/nfs/dbraw/zinc/90/38/91/967903891.db2.gz	ODAGNECRYALVFG-KBXCAEBGSA-N	1	0	364.392	1.526	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@H](N2CCOC2=O)C1)C(C)C	ZINC000853383621	967995908	/nfs/dbraw/zinc/99/59/08/967995908.db2.gz	IJZCRBBEJHQPLA-SJORKVTESA-N	1	0	364.490	1.921	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(C(=O)NCCNc2ccc(C#N)cn2)CCO1	ZINC000853384916	967996850	/nfs/dbraw/zinc/99/68/50/967996850.db2.gz	VZNQZISDZOSZTB-MRXNPFEDSA-N	1	0	360.462	1.117	20	30		FDEDRO
C#CCCCOc1cccnc1N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000853455827	968023378	/nfs/dbraw/zinc/02/33/78/968023378.db2.gz	JCDHSGNTPDLNDI-QGZVFWFLSA-N	1	0	356.470	1.792	20	30		FDEDRO
C=CCC1(S(=O)(=O)N2CCn3c(C[N@@H+](C)C(C)C)cnc3C2)CC1	ZINC001190788193	968092972	/nfs/dbraw/zinc/09/29/72/968092972.db2.gz	UQTSCZXKALRFKV-UHFFFAOYSA-N	1	0	352.504	1.977	20	30		FDEDRO
CCN(CN1C(=O)N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O)[C@@H](C)C#N	ZINC000853578157	968139110	/nfs/dbraw/zinc/13/91/10/968139110.db2.gz	LDEMXWNUMXOKKB-JXFKEZNVSA-N	1	0	369.469	1.764	20	30		FDEDRO
C#CCCN(CCOC)CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1=O	ZINC000853621214	968200465	/nfs/dbraw/zinc/20/04/65/968200465.db2.gz	UNYNFXBKAQPHKS-SFTDATJTSA-N	1	0	369.509	1.896	20	30		FDEDRO
C#Cc1ccccc1C(=O)N1CCCC12CC[NH+](CC(=O)N(C)C)CC2	ZINC001191107654	968277792	/nfs/dbraw/zinc/27/77/92/968277792.db2.gz	VTOKOAXLIMBTIS-UHFFFAOYSA-N	1	0	353.466	1.827	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C2	ZINC001110677892	968563180	/nfs/dbraw/zinc/56/31/80/968563180.db2.gz	FUXONLZNTDTLAJ-KBXIAJHMSA-N	1	0	350.463	1.276	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C[C@H]1O	ZINC001191724749	968714156	/nfs/dbraw/zinc/71/41/56/968714156.db2.gz	OZOMCBNTLACDDX-PWRODBHTSA-N	1	0	368.477	1.871	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H](CNc2nccnc2C#N)C2CCCC2)CC[N@@H+]1C	ZINC001110683726	968834334	/nfs/dbraw/zinc/83/43/34/968834334.db2.gz	LABMXBSCGZYCCL-FRFSOERESA-N	1	0	356.474	1.775	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCNC(=O)NC(C)(C)C)C1	ZINC001192425262	969101350	/nfs/dbraw/zinc/10/13/50/969101350.db2.gz	FOWXWLBCGYDOKF-XHSDSOJGSA-N	1	0	366.506	1.208	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCNC(=O)NC(C)(C)C)C1	ZINC001192425261	969101671	/nfs/dbraw/zinc/10/16/71/969101671.db2.gz	FOWXWLBCGYDOKF-OAGGEKHMSA-N	1	0	366.506	1.208	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2cc3ccccc3s2)C[C@H]1O	ZINC001192531390	969175322	/nfs/dbraw/zinc/17/53/22/969175322.db2.gz	VMNGPYVJCYFNSC-GPMSIDNRSA-N	1	0	360.479	1.890	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCOC2CCCCCC2)C[C@H]1O	ZINC001192538883	969179295	/nfs/dbraw/zinc/17/92/95/969179295.db2.gz	CEXKKVZUPPNUJP-LMMKCTJWSA-N	1	0	354.491	1.214	20	30		FDEDRO
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)c1ccc(C#N)o1)CCC2	ZINC001192675711	969226233	/nfs/dbraw/zinc/22/62/33/969226233.db2.gz	NIHFMCNNQGUIST-UHFFFAOYSA-N	1	0	369.425	1.594	20	30		FDEDRO
N#Cc1ccc(C(=O)N(c2ncccc2F)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)o1	ZINC001192676678	969226846	/nfs/dbraw/zinc/22/68/46/969226846.db2.gz	VGIINYWACHZUCR-SGTLLEGYSA-N	1	0	356.357	1.853	20	30		FDEDRO
COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)C1	ZINC001192767041	969275870	/nfs/dbraw/zinc/27/58/70/969275870.db2.gz	LBUYVQCONFYQSV-YZGWKJHDSA-N	1	0	356.466	1.981	20	30		FDEDRO
CCN(CCC#N)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(C)o1)C2	ZINC001110449823	969277503	/nfs/dbraw/zinc/27/75/03/969277503.db2.gz	DOBJVVCKVLNFDC-NXHRZFHOSA-N	1	0	372.469	1.614	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1CN([C@H](C)C(=O)NC2CCCC2)C[C@H]1O	ZINC001193240952	969569824	/nfs/dbraw/zinc/56/98/24/969569824.db2.gz	NLZOMHYGCKVXNE-ZTFGCOKTSA-N	1	0	363.502	1.363	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3cc[nH]cc-3c2=O)C1	ZINC001193345143	969645812	/nfs/dbraw/zinc/64/58/12/969645812.db2.gz	MHXULIYCNLZKBR-CSMYWGQOSA-N	1	0	356.426	1.053	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)N2CCC(C)CC2)C[C@H]1O	ZINC001193345904	969646536	/nfs/dbraw/zinc/64/65/36/969646536.db2.gz	ZNEPUGQGKIXSOQ-GVDBMIGSSA-N	1	0	365.518	1.397	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(C)nc2OC)C1	ZINC001193558380	969760018	/nfs/dbraw/zinc/76/00/18/969760018.db2.gz	LMEIPEVAQVUCOF-HZPDHXFCSA-N	1	0	350.463	1.539	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@](C)(OC)c2ccccc2F)C1	ZINC001193601958	969787881	/nfs/dbraw/zinc/78/78/81/969787881.db2.gz	PCIJRGZXLJJQMT-ZHALLVOQSA-N	1	0	350.434	1.815	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCCOCc3ccccc3)C[C@H]2O)CCC1	ZINC001193685340	969811339	/nfs/dbraw/zinc/81/13/39/969811339.db2.gz	KMTYGYXRHKZCOF-WOJBJXKFSA-N	1	0	370.493	1.948	20	30		FDEDRO
COc1ccc(C#N)c(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)c1	ZINC001193716146	969838363	/nfs/dbraw/zinc/83/83/63/969838363.db2.gz	HXGJXZOHZIGPND-UHFFFAOYSA-N	1	0	351.472	1.966	20	30		FDEDRO
COc1ccc(C#N)c(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)C)C[C@H]2C)c1	ZINC001193716446	969838814	/nfs/dbraw/zinc/83/88/14/969838814.db2.gz	ONEZZJXLCNJCKK-CJNGLKHVSA-N	1	0	351.472	1.964	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(C(F)(F)F)nc2)C1	ZINC001193989299	969948994	/nfs/dbraw/zinc/94/89/94/969948994.db2.gz	VPKYBTXNRQQVEE-RAIGVLPGSA-N	1	0	358.364	1.625	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2C=CCCC2)C1	ZINC001194038606	969957359	/nfs/dbraw/zinc/95/73/59/969957359.db2.gz	GORFSUZAYSFUKX-KZNAEPCWSA-N	1	0	363.502	1.319	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3cc(C)nc3C2)C1	ZINC001194103102	970018441	/nfs/dbraw/zinc/01/84/41/970018441.db2.gz	UZPTWBDNFWPAGX-RCCFBDPRSA-N	1	0	362.518	1.886	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)C1	ZINC001194469160	970183183	/nfs/dbraw/zinc/18/31/83/970183183.db2.gz	VQNFBVZTZDFSJD-HUUCEWRRSA-N	1	0	351.834	1.406	20	30		FDEDRO
C#CCCOc1ccc(C[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)cc1	ZINC000113323357	970370373	/nfs/dbraw/zinc/37/03/73/970370373.db2.gz	XDZLKDPQAOTLHW-UHFFFAOYSA-N	1	0	365.433	1.594	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cn3ccnn3)o2)C1	ZINC001194881340	970493432	/nfs/dbraw/zinc/49/34/32/970493432.db2.gz	QGYCUIHUJHYHBX-FVQBIDKESA-N	1	0	359.430	1.049	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](OCC)C2CCOCC2)C1	ZINC001195037823	970629794	/nfs/dbraw/zinc/62/97/94/970629794.db2.gz	ONBRWWDWQAHQCR-QRVBRYPASA-N	1	0	370.534	1.950	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@H]1CCCC1(F)F	ZINC001110465628	970661777	/nfs/dbraw/zinc/66/17/77/970661777.db2.gz	LXUCOPQTWWHDMX-FPCVCCKLSA-N	1	0	367.440	1.673	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCCc2ccccc21	ZINC001110465891	970669206	/nfs/dbraw/zinc/66/92/06/970669206.db2.gz	YAYCMTRTIYQJOW-AFYVEPGGSA-N	1	0	365.477	1.925	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC3CC2(CNC(=O)OC(C)(C)C)C3)CC1	ZINC000855815439	970698080	/nfs/dbraw/zinc/69/80/80/970698080.db2.gz	HOHWBVRZRNTNSX-UHFFFAOYSA-N	1	0	361.486	1.847	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2-n2cccn2)C1	ZINC001195181269	970727097	/nfs/dbraw/zinc/72/70/97/970727097.db2.gz	IIOBUUFMYUOPMF-USXIJHARSA-N	1	0	355.442	1.397	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)c2ccc(F)cc2)C1	ZINC001197866803	972541402	/nfs/dbraw/zinc/54/14/02/972541402.db2.gz	QVJZIWYASXINPT-IAGOWNOFSA-N	1	0	350.434	1.467	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCCc3ccccc32)C1	ZINC001198011654	972638541	/nfs/dbraw/zinc/63/85/41/972638541.db2.gz	NCDYMBRBLWATJM-DFQSSKMNSA-N	1	0	358.482	1.861	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cccc(NC(C)=O)c2)C1	ZINC001197983834	972654334	/nfs/dbraw/zinc/65/43/34/972654334.db2.gz	HOBOTQXZCSKVHI-GDIGMMSISA-N	1	0	359.470	1.704	20	30		FDEDRO
CC(=NNC(=S)NCCC[NH+](C)C)C1CN(C(=O)OC(C)(C)C)C1	ZINC000794509593	972787834	/nfs/dbraw/zinc/78/78/34/972787834.db2.gz	BISYYRBUGIFUJZ-UHFFFAOYSA-N	1	0	357.524	1.645	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C(F)(F)F)cnn2C)C1	ZINC001198261354	972913669	/nfs/dbraw/zinc/91/36/69/972913669.db2.gz	CSHHSWJWBVIMRA-RAIGVLPGSA-N	1	0	360.380	1.569	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COc3ccccc3O2)C1	ZINC001198304955	972971319	/nfs/dbraw/zinc/97/13/19/972971319.db2.gz	PSKOXNFPTJXTGI-GPMSIDNRSA-N	1	0	362.470	1.958	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000863552450	973010312	/nfs/dbraw/zinc/01/03/12/973010312.db2.gz	LNXDXXUNVBKOGP-CABCVRRESA-N	1	0	353.463	1.657	20	30		FDEDRO
COc1ccc(C2=NO[C@@H](C[NH2+]C[C@@H](O)CC3(C#N)CCOCC3)C2)cc1	ZINC000863558060	973016234	/nfs/dbraw/zinc/01/62/34/973016234.db2.gz	VIHFJMQKJSPENE-FUHWJXTLSA-N	1	0	373.453	1.849	20	30		FDEDRO
COc1ccc(OC)c([C@H](O)C[NH2+]C[C@@H](O)COc2ccccc2C#N)c1	ZINC000863559793	973016753	/nfs/dbraw/zinc/01/67/53/973016753.db2.gz	VGHUVRCNILGYPZ-CRAIPNDOSA-N	1	0	372.421	1.638	20	30		FDEDRO
CC#CC[C@@H](CO)NC(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1	ZINC000645164683	1014091350	/nfs/dbraw/zinc/09/13/50/1014091350.db2.gz	RYDFAWHIUPZHEY-VQTJNVASSA-N	1	0	372.513	1.439	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(COC(C)C)cc2)C1	ZINC001198541260	973267412	/nfs/dbraw/zinc/26/74/12/973267412.db2.gz	CCKQHURWRMHBHL-RTBURBONSA-N	1	0	362.470	1.589	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH+]2CCC(c3ccc(N(C)C)cc3)CC2)CC1	ZINC000775881852	973313913	/nfs/dbraw/zinc/31/39/13/973313913.db2.gz	UPDRSUWXXLYHLQ-UHFFFAOYSA-N	1	0	368.525	1.709	20	30		FDEDRO
N#Cc1ccccc1CN1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1	ZINC001198729664	973428204	/nfs/dbraw/zinc/42/82/04/973428204.db2.gz	VSYBRWHZZOPHNM-WOJBJXKFSA-N	1	0	370.497	1.486	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)nn3cccnc23)C1	ZINC001198713558	973462151	/nfs/dbraw/zinc/46/21/51/973462151.db2.gz	DIETUWHBJVRZFG-HZPDHXFCSA-N	1	0	357.458	1.559	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cc(C)oc2C)C1	ZINC001198785416	973472002	/nfs/dbraw/zinc/47/20/02/973472002.db2.gz	ORCRTYZHVLTLDX-JCURWCKSSA-N	1	0	363.458	1.142	20	30		FDEDRO
C=C[C@H](CC(=O)N[C@@H]1CN(Cc2nccnc2C)C[C@H]1O)c1ccccc1	ZINC001198939593	973713482	/nfs/dbraw/zinc/71/34/82/973713482.db2.gz	ANWNCTZCCNKKLW-NSISKUIASA-N	1	0	366.465	1.806	20	30		FDEDRO
C=C[C@@H](C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1O)c1ccccc1	ZINC001198956483	973742119	/nfs/dbraw/zinc/74/21/19/973742119.db2.gz	YFLPAQLLHHAHNQ-GUDVDZBRSA-N	1	0	354.454	1.094	20	30		FDEDRO
C=C[C@H](C(=O)N[C@@H]1CN(Cc2ccnc(OC)c2)C[C@H]1O)c1ccccc1	ZINC001198949772	973789861	/nfs/dbraw/zinc/78/98/61/973789861.db2.gz	DDTWGULTWLZYDA-IPMKNSEASA-N	1	0	367.449	1.721	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000645253147	1014143119	/nfs/dbraw/zinc/14/31/19/1014143119.db2.gz	WQGMZJSOXGFNKS-RTBURBONSA-N	1	0	358.486	1.049	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(C)cc1C	ZINC000794815153	974087385	/nfs/dbraw/zinc/08/73/85/974087385.db2.gz	GMRSWGAVMXXDRO-CYBMUJFWSA-N	1	0	360.501	1.202	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2Cc3c2cccc3Cl)C1	ZINC001199261727	974095148	/nfs/dbraw/zinc/09/51/48/974095148.db2.gz	RRAZKASSNXCVIG-USXIJHARSA-N	1	0	350.846	1.344	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000865194303	974174954	/nfs/dbraw/zinc/17/49/54/974174954.db2.gz	UINSVOZCZUAIPP-UHFFFAOYSA-N	1	0	366.506	1.306	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCCc2ccccc2OC)C[C@H]1O	ZINC001199318048	974184879	/nfs/dbraw/zinc/18/48/79/974184879.db2.gz	JSZUILFDDKHPRU-CGTJXYLNSA-N	1	0	362.470	1.380	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(c3ccccc3OC)CC2)C1	ZINC001199422460	974239889	/nfs/dbraw/zinc/23/98/89/974239889.db2.gz	OFCLOCHNPNDTRZ-IAGOWNOFSA-N	1	0	360.454	1.091	20	30		FDEDRO
CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2cc(C#N)ccc2N(C)C)cc1	ZINC000865426356	974290376	/nfs/dbraw/zinc/29/03/76/974290376.db2.gz	MDFKHWKDOUGLAV-UHFFFAOYSA-N	1	0	372.494	1.963	20	30		FDEDRO
C#CC[C@@H](CC(=O)N[C@@H]1C[N@H+](CCCOCC)C[C@H]1O)c1ccccc1	ZINC001199505786	974326738	/nfs/dbraw/zinc/32/67/38/974326738.db2.gz	KLAGLECLIBARFF-XUVXKRRUSA-N	1	0	358.482	1.772	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(COC)s2)C1	ZINC001199515040	974335209	/nfs/dbraw/zinc/33/52/09/974335209.db2.gz	OEMVHVYDRIUVMZ-ZIAGYGMSSA-N	1	0	353.488	1.811	20	30		FDEDRO
COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2cccc(Cl)c2)C1	ZINC001199531665	974353512	/nfs/dbraw/zinc/35/35/12/974353512.db2.gz	BWMKKXIJHGEGEN-BMGDILEWSA-N	1	0	364.873	1.330	20	30		FDEDRO
N#Cc1cc(C(F)(F)F)cc(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)n1	ZINC000865631382	974392606	/nfs/dbraw/zinc/39/26/06/974392606.db2.gz	DIKPBSMRVBGEDS-CQSZACIVSA-N	1	0	367.375	1.891	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]C[C@]1(CO)COCC2(CCC2)N1C	ZINC000865638643	974396549	/nfs/dbraw/zinc/39/65/49/974396549.db2.gz	GJPWEZLERCPGOM-FQEVSTJZSA-N	1	0	358.486	1.330	20	30		FDEDRO
N#Cc1cc(C(F)(F)F)cc(N2CCC(O)(C[NH+]3CCOCC3)CC2)n1	ZINC000865664045	974411314	/nfs/dbraw/zinc/41/13/14/974411314.db2.gz	CVYVQGOTTPOGBJ-UHFFFAOYSA-N	1	0	370.375	1.636	20	30		FDEDRO
N#Cc1cnc(C(=O)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cn1	ZINC001199664398	974449954	/nfs/dbraw/zinc/44/99/54/974449954.db2.gz	DPYZEAYGCSAAHE-WBVHZDCISA-N	1	0	367.384	1.465	20	30		FDEDRO
C[C@H]1COC(=O)C1=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000794871136	974520907	/nfs/dbraw/zinc/52/09/07/974520907.db2.gz	VHIMJHMJRSVMJY-ZDUSSCGKSA-N	1	0	360.483	1.664	20	30		FDEDRO
C[C@@H]1CN(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C[C@@H](C)N1CC#N	ZINC000866049288	974641479	/nfs/dbraw/zinc/64/14/79/974641479.db2.gz	NILQQDLXRYCSMB-IAGOWNOFSA-N	1	0	370.501	1.888	20	30		FDEDRO
C=CCNC(=S)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC001200286833	974742045	/nfs/dbraw/zinc/74/20/45/974742045.db2.gz	SFIKEFGREGCKAO-IKGGRYGDSA-N	1	0	360.531	1.513	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)NCC2CCC2)CC1	ZINC001200627800	974847366	/nfs/dbraw/zinc/84/73/66/974847366.db2.gz	GZTVJWJGUKPVDF-MSOLQXFVSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)N(C)C(C)C)CC1	ZINC001200629022	974848911	/nfs/dbraw/zinc/84/89/11/974848911.db2.gz	QTBZVOMTUDSQST-SJORKVTESA-N	1	0	351.491	1.415	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)C(=O)NCCCC)CC1	ZINC001200635605	974851618	/nfs/dbraw/zinc/85/16/18/974851618.db2.gz	BEMPRPHDTXEVAV-JQHSSLGASA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CCCO1	ZINC001201041598	974955637	/nfs/dbraw/zinc/95/56/37/974955637.db2.gz	DKYCHKVJJCNJGA-XLAORIBOSA-N	1	0	363.502	1.322	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NCC2([NH+](C)C)CCN(C)CC2)cc1C#N	ZINC001201325012	975006983	/nfs/dbraw/zinc/00/69/83/975006983.db2.gz	STXNEPOLJLWFBN-UHFFFAOYSA-N	1	0	350.488	1.171	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CCCO1	ZINC001201412341	975035109	/nfs/dbraw/zinc/03/51/09/975035109.db2.gz	ZHBITBRUERVHTH-KURKYZTESA-N	1	0	365.518	1.664	20	30		FDEDRO
C#C[C@H](NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)[C@H]1CCCO1	ZINC000776225704	975193433	/nfs/dbraw/zinc/19/34/33/975193433.db2.gz	QMUQKWGLJIFTTN-VNTMZGSJSA-N	1	0	371.481	1.349	20	30		FDEDRO
CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1	ZINC001202197423	975261617	/nfs/dbraw/zinc/26/16/17/975261617.db2.gz	PVDJRRKSRNJLCJ-RBUKOAKNSA-N	1	0	368.481	1.573	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)ccc1F	ZINC000847183747	975359181	/nfs/dbraw/zinc/35/91/81/975359181.db2.gz	XSUOFQMKZDXPEP-XBXGTLAGSA-N	1	0	369.462	1.360	20	30		FDEDRO
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1	ZINC000847352073	975516562	/nfs/dbraw/zinc/51/65/62/975516562.db2.gz	AZAGRGHRUQAYIK-BYNSBNAKSA-N	1	0	365.478	1.385	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)C(=O)N1CCC([NH2+]CCOC)CC1	ZINC000652726306	1014267960	/nfs/dbraw/zinc/26/79/60/1014267960.db2.gz	QURIQHMAJVBLRR-UHFFFAOYSA-N	1	0	365.499	1.490	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@]2(c3ccccc3)CCC(=O)NC2)CC1	ZINC000847515145	975758219	/nfs/dbraw/zinc/75/82/19/975758219.db2.gz	MLOAVLFRNKUISQ-OAQYLSRUSA-N	1	0	353.466	1.438	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccccc1C(=O)N(C)C(C)C	ZINC000847527026	975780348	/nfs/dbraw/zinc/78/03/48/975780348.db2.gz	HONLXQVZBGNCAO-UHFFFAOYSA-N	1	0	372.469	1.177	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)nn1	ZINC000866645494	975864002	/nfs/dbraw/zinc/86/40/02/975864002.db2.gz	MPMJRHUCZRPWRI-UHFFFAOYSA-N	1	0	359.455	1.409	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000847607392	975903192	/nfs/dbraw/zinc/90/31/92/975903192.db2.gz	KCIGXAMLCWDFGM-DOTOQJQBSA-N	1	0	355.438	1.770	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CC[NH+]3CCC2CC3)CC1	ZINC000847869645	976105207	/nfs/dbraw/zinc/10/52/07/976105207.db2.gz	APIHRHQLJPEXDU-UHFFFAOYSA-N	1	0	361.486	1.944	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc21	ZINC000848002867	976241238	/nfs/dbraw/zinc/24/12/38/976241238.db2.gz	LYGZPBMBLFPVQZ-UHFFFAOYSA-N	1	0	358.402	1.574	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)cc1C#N	ZINC000867582633	976422962	/nfs/dbraw/zinc/42/29/62/976422962.db2.gz	TVDWXYXTHHECEJ-UHFFFAOYSA-N	1	0	369.462	1.676	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)nnc1C)C2	ZINC001110599739	976481754	/nfs/dbraw/zinc/48/17/54/976481754.db2.gz	HLWWPUMMIHWAGG-ABFRBSLYSA-N	1	0	357.458	1.119	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1	ZINC000867607668	976494060	/nfs/dbraw/zinc/49/40/60/976494060.db2.gz	KLRSYTYBHFOUJV-ZTFGCOKTSA-N	1	0	354.454	1.630	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)CC1	ZINC000121799469	976731982	/nfs/dbraw/zinc/73/19/82/976731982.db2.gz	MQXBMTGVDACUAI-OALUTQOASA-N	1	0	373.497	1.725	20	30		FDEDRO
C[NH+]1CCN(C2CCN(S(=O)(=O)c3cccc(F)c3C#N)CC2)CC1	ZINC000867817790	976933641	/nfs/dbraw/zinc/93/36/41/976933641.db2.gz	SOFKYHKXWXZMPH-UHFFFAOYSA-N	1	0	366.462	1.098	20	30		FDEDRO
CNC(=O)c1cccc(CCNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)c1	ZINC000867951694	977132672	/nfs/dbraw/zinc/13/26/72/977132672.db2.gz	MORGVIALFKVGNQ-LJQANCHMSA-N	1	0	362.433	1.464	20	30		FDEDRO
C[C@@H]1CN(C(C)(C)CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C[C@@H](C)O1	ZINC000867962225	977146548	/nfs/dbraw/zinc/14/65/48/977146548.db2.gz	MTRQACHEWDGRON-CLCXKQKWSA-N	1	0	370.497	1.749	20	30		FDEDRO
Cn1cc(CCNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)c2cccnc21	ZINC000867999780	977185120	/nfs/dbraw/zinc/18/51/20/977185120.db2.gz	NDDGVVBYKNZQLM-IBGZPJMESA-N	1	0	359.433	1.991	20	30		FDEDRO
CCCC[NH+]=C(NCCn1cc(C(=O)OC)nn1)NCc1ccc(C)cc1	ZINC000849003669	977288037	/nfs/dbraw/zinc/28/80/37/977288037.db2.gz	YPAAEIHBPJXJPK-UHFFFAOYSA-N	1	0	372.473	1.909	20	30		FDEDRO
CCOCCC[NH+]=C(NCc1ccc(OC)cc1)NC[C@H]1COCCO1	ZINC000849011794	977290471	/nfs/dbraw/zinc/29/04/71/977290471.db2.gz	KNHZTYGSIYOIHA-SFHVURJKSA-N	1	0	365.474	1.572	20	30		FDEDRO
C=CCNC(=[NH2+])NCCNS(=O)(=O)c1cccc(Cl)c1Cl	ZINC000849025364	977292633	/nfs/dbraw/zinc/29/26/33/977292633.db2.gz	JCXARUURKRGNAP-UHFFFAOYSA-N	1	0	351.259	1.572	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1	ZINC000868114134	977297436	/nfs/dbraw/zinc/29/74/36/977297436.db2.gz	BVJNWFOPYCNDBN-BMFZPTHFSA-N	1	0	355.398	1.266	20	30		FDEDRO
CCCC[NH+]=C(NCCC(=O)N1CCN(C)CC1)NCc1ccc(C)cc1	ZINC000849057971	977298176	/nfs/dbraw/zinc/29/81/76/977298176.db2.gz	HGPLSYBDZHKTDK-UHFFFAOYSA-N	1	0	373.545	1.994	20	30		FDEDRO
C=CCNC(=[NH2+])N[C@H]1CCN([C@@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O	ZINC000849089928	977309569	/nfs/dbraw/zinc/30/95/69/977309569.db2.gz	LBUBLCLCHGFTMA-JKSUJKDBSA-N	1	0	372.469	1.970	20	30		FDEDRO
C[NH+]=C(NCc1ccco1)NCc1nn(C)cc1I	ZINC000849110134	977320266	/nfs/dbraw/zinc/32/02/66/977320266.db2.gz	TXSGZMNNKNREME-UHFFFAOYSA-N	1	0	373.198	1.483	20	30		FDEDRO
CCNS(=O)(=O)c1cccc(CNC(NCc2ccco2)=[NH+]C)c1	ZINC000849110001	977320276	/nfs/dbraw/zinc/32/02/76/977320276.db2.gz	OPNKXHUQCXMHQM-UHFFFAOYSA-N	1	0	350.444	1.443	20	30		FDEDRO
COC1(CCNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)CCC1	ZINC000849114121	977325936	/nfs/dbraw/zinc/32/59/36/977325936.db2.gz	TTWOVILEIPXTPN-AWEZNQCLSA-N	1	0	352.479	1.826	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1c(F)cccc1-n1cccn1	ZINC000849116436	977328889	/nfs/dbraw/zinc/32/88/89/977328889.db2.gz	JFNVPOIBMRHPIW-UHFFFAOYSA-N	1	0	360.437	1.009	20	30		FDEDRO
Cc1ccc(CCNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)nc1	ZINC000849116754	977329826	/nfs/dbraw/zinc/32/98/26/977329826.db2.gz	WGTANDULFLJJKU-INIZCTEOSA-N	1	0	359.474	1.813	20	30		FDEDRO
N#Cc1cccc([C@H](NC(=O)NCCN2CC[NH2+]CC2)C(F)(F)F)c1	ZINC000868211275	977348250	/nfs/dbraw/zinc/34/82/50/977348250.db2.gz	SXFYZAALZNGWAY-AWEZNQCLSA-N	1	0	355.364	1.366	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C	ZINC000645465741	1014396945	/nfs/dbraw/zinc/39/69/45/1014396945.db2.gz	YBHJFVVPQLSJSH-SJLPKXTDSA-N	1	0	358.486	1.935	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1	ZINC000868293647	977460691	/nfs/dbraw/zinc/46/06/91/977460691.db2.gz	CNHKCWLXSCJVSP-CQSZACIVSA-N	1	0	361.417	1.671	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1	ZINC000849495401	977689307	/nfs/dbraw/zinc/68/93/07/977689307.db2.gz	CKOAKNGPBAVXLA-MOPGFXCFSA-N	1	0	351.454	1.986	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccc(C#N)cn2)[C@H](c2cnn(C)c2)C1	ZINC000849592353	977799844	/nfs/dbraw/zinc/79/98/44/977799844.db2.gz	KYNJLNJSDGENAG-MOPGFXCFSA-N	1	0	366.469	1.817	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNS(=O)(=O)CC)C2	ZINC001110620756	978344396	/nfs/dbraw/zinc/34/43/96/978344396.db2.gz	RMMZGJRWQOGTNX-OAGGEKHMSA-N	1	0	359.536	1.618	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)cc1	ZINC000850667471	978585687	/nfs/dbraw/zinc/58/56/87/978585687.db2.gz	TWHGMMUBADCAFF-INIZCTEOSA-N	1	0	357.454	1.874	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1	ZINC000850685857	978608580	/nfs/dbraw/zinc/60/85/80/978608580.db2.gz	IJBPPYBIKCEGAF-INIZCTEOSA-N	1	0	371.437	1.007	20	30		FDEDRO
C[NH2+]C[C@@H](C)NC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1	ZINC000850727454	978651158	/nfs/dbraw/zinc/65/11/58/978651158.db2.gz	JYNPSJKVUBOSQW-FTRNENOISA-N	1	0	367.475	1.229	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1	ZINC000850899807	978714362	/nfs/dbraw/zinc/71/43/62/978714362.db2.gz	YBMIYOHVEUTLAZ-XOBRGWDASA-N	1	0	371.437	1.632	20	30		FDEDRO
CC(C)[NH2+]CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1	ZINC000851629071	978977965	/nfs/dbraw/zinc/97/79/65/978977965.db2.gz	UYXOQNHJQTWXNF-XDJHFCHBSA-N	1	0	352.460	1.436	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@@H]2CCN(Cc3ccc(OC)cc3)C2=O)CC1	ZINC000851740386	979023692	/nfs/dbraw/zinc/02/36/92/979023692.db2.gz	QNXYWZRRSKYPJM-LJQANCHMSA-N	1	0	369.465	1.258	20	30		FDEDRO
C#CCCN1CC[NH+](C[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)CC1	ZINC000851873416	979141316	/nfs/dbraw/zinc/14/13/16/979141316.db2.gz	XRNKKHHJEYJKPK-KRWDZBQOSA-N	1	0	363.502	1.796	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1	ZINC000852110078	979356960	/nfs/dbraw/zinc/35/69/60/979356960.db2.gz	LWSUYEUYJGMIHF-SFHVURJKSA-N	1	0	357.454	1.751	20	30		FDEDRO
C=CCn1cccc1C(=O)N(CC)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000968064313	1014614172	/nfs/dbraw/zinc/61/41/72/1014614172.db2.gz	IKQDYFXPRGEIRV-NVXWUHKLSA-N	1	0	358.486	1.687	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3nc(C)[nH]c3C1)C2	ZINC001110740843	981881889	/nfs/dbraw/zinc/88/18/89/981881889.db2.gz	GTOVSXFWKVOOKR-SFUIVIKGSA-N	1	0	358.486	1.747	20	30		FDEDRO
NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NCC#Cc2ccccc2)CC1	ZINC000883093869	981936900	/nfs/dbraw/zinc/93/69/00/981936900.db2.gz	JKZNUOPAUFRHSE-UHFFFAOYSA-N	1	0	368.481	1.554	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)Nc1ccc(Br)c(C#N)n1	ZINC000883110815	981954033	/nfs/dbraw/zinc/95/40/33/981954033.db2.gz	LIDYPCUUMZCWSP-UHFFFAOYSA-N	1	0	350.220	1.792	20	30		FDEDRO
C=C(C)C[C@H](CO)NC(=O)NCc1ccccc1CN1CC[NH+](CC)CC1	ZINC000883112096	981954885	/nfs/dbraw/zinc/95/48/85/981954885.db2.gz	ZTDKQIPLYQGYTJ-HXUWFJFHSA-N	1	0	374.529	1.950	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccncc1CC)C2	ZINC001110746716	982073433	/nfs/dbraw/zinc/07/34/33/982073433.db2.gz	AYUJHVCZQWOQMK-UWIFEVILSA-N	1	0	354.454	1.117	20	30		FDEDRO
C#CC1(F)CN(C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1	ZINC000883352084	982092979	/nfs/dbraw/zinc/09/29/79/982092979.db2.gz	RSTRZFBZPUIXSH-QGZVFWFLSA-N	1	0	372.444	1.251	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCCN(CCN3CCOCC3)C2)cc1	ZINC000883372128	982101344	/nfs/dbraw/zinc/10/13/44/982101344.db2.gz	NGELZVCAMHWOTE-ICSRJNTNSA-N	1	0	372.513	1.864	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000883727943	982420709	/nfs/dbraw/zinc/42/07/09/982420709.db2.gz	GBKXHQAGPHXERT-MOPGFXCFSA-N	1	0	358.486	1.971	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1	ZINC000859021285	982462097	/nfs/dbraw/zinc/46/20/97/982462097.db2.gz	CESZVSMIKGOXGL-QGZVFWFLSA-N	1	0	351.491	1.701	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNC(=O)Cc2ccccc2CC#N)ccn1	ZINC000777083892	982515586	/nfs/dbraw/zinc/51/55/86/982515586.db2.gz	LLEKDUBVDBKECZ-UHFFFAOYSA-N	1	0	352.438	1.947	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2C#N)C1	ZINC000859132295	982562356	/nfs/dbraw/zinc/56/23/56/982562356.db2.gz	TWZUFCAGBABCRM-CVEARBPZSA-N	1	0	361.442	1.897	20	30		FDEDRO
C#CC[C@@H]1CCCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1	ZINC000883911866	982611560	/nfs/dbraw/zinc/61/15/60/982611560.db2.gz	BAEXCEDBSRNBLS-RTBURBONSA-N	1	0	362.518	1.228	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H](C)O2)CC1	ZINC001202574993	982612881	/nfs/dbraw/zinc/61/28/81/982612881.db2.gz	DNTPAKGEYHRLNP-JFIYKMOQSA-N	1	0	365.518	1.948	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)C(C)(C)c2ccc(C#N)cc2)CC1	ZINC000859200180	982615338	/nfs/dbraw/zinc/61/53/38/982615338.db2.gz	WNTDACBVZONVDG-UHFFFAOYSA-N	1	0	370.497	1.848	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NCc2cc(OC)c(OC)c(OC)c2)C1	ZINC000884025469	982711635	/nfs/dbraw/zinc/71/16/35/982711635.db2.gz	XGFRQFSSNPZSBT-OAHLLOKOSA-N	1	0	361.442	1.609	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCCN(C(=O)c3ccccc3)CC1)C2	ZINC000884086589	982844889	/nfs/dbraw/zinc/84/48/89/982844889.db2.gz	CAQHARJUMRAXMY-IDYZSHNDSA-N	1	0	366.465	1.500	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NCc2ccccc2OCC[NH+](C)C)C1	ZINC000884106904	982876358	/nfs/dbraw/zinc/87/63/58/982876358.db2.gz	FLVDVQXUQFGVLU-SFHVURJKSA-N	1	0	358.486	1.524	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCN(c3ccc(Cl)cc3)C1=O)C2	ZINC000884149255	982927879	/nfs/dbraw/zinc/92/78/79/982927879.db2.gz	GPGWSRJTUBPLOK-BKUHTVRMSA-N	1	0	372.856	1.701	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCCc1ccn(-c3ccc(F)cc3)n1)C2	ZINC000884156500	982933911	/nfs/dbraw/zinc/93/39/11/982933911.db2.gz	CYMUEOADYLETKA-CHWWFWEZSA-N	1	0	367.428	1.809	20	30		FDEDRO
CCN(CC[NH3+])C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1	ZINC000859634905	982951381	/nfs/dbraw/zinc/95/13/81/982951381.db2.gz	LSYVWWVATIZBMB-CYVLTUHYSA-N	1	0	367.475	1.312	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000884199437	982975709	/nfs/dbraw/zinc/97/57/09/982975709.db2.gz	ZAMRJWIWGPOQCF-MSOLQXFVSA-N	1	0	359.470	1.461	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1	ZINC000884205291	982980747	/nfs/dbraw/zinc/98/07/47/982980747.db2.gz	RNMKXPZUUBZYEO-ULQDDVLXSA-N	1	0	351.491	1.546	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1	ZINC000884210658	982987446	/nfs/dbraw/zinc/98/74/46/982987446.db2.gz	GSMFZZOJZDJTKB-SJORKVTESA-N	1	0	351.491	1.548	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCN(CC(F)(F)C(F)F)CC1)C2	ZINC000884221736	982995325	/nfs/dbraw/zinc/99/53/25/982995325.db2.gz	ZBKIHGIOLSWGCT-MQYJIDSJSA-N	1	0	362.371	1.170	20	30		FDEDRO
COC(=O)[C@](C)(CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccccc1	ZINC000884333995	983092949	/nfs/dbraw/zinc/09/29/49/983092949.db2.gz	DIYUQVLVMABWGZ-GBUSVRQHSA-N	1	0	355.438	1.373	20	30		FDEDRO
COc1ccc(N2C[C@@H](NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CC2=O)cc1	ZINC000884402205	983139482	/nfs/dbraw/zinc/13/94/82/983139482.db2.gz	MZQARIDTRFQAEM-FEDUSRTKSA-N	1	0	368.437	1.056	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CCN1Cc1ccccc1	ZINC000884427117	983149799	/nfs/dbraw/zinc/14/97/99/983149799.db2.gz	IFNMRFFJVDFRTI-OHESCVLLSA-N	1	0	352.482	1.859	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCN2CCCC2=O)[nH]1	ZINC001095329391	983164495	/nfs/dbraw/zinc/16/44/95/983164495.db2.gz	JVVYFMYTEIVVRG-PVAVHDDUSA-N	1	0	355.442	1.234	20	30		FDEDRO
COc1ccccc1[C@@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CCO1	ZINC000884472075	983174616	/nfs/dbraw/zinc/17/46/16/983174616.db2.gz	OWMPGBBBIYRYER-SUVXRHJQSA-N	1	0	355.438	1.734	20	30		FDEDRO
CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)CCc2c(C)nn(CCC#N)c2C)C1	ZINC000861339646	983691145	/nfs/dbraw/zinc/69/11/45/983691145.db2.gz	CLALFJMTWFZZPO-APWZRJJASA-N	1	0	362.474	1.999	20	30		FDEDRO
CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1C#N	ZINC000861523900	983762197	/nfs/dbraw/zinc/76/21/97/983762197.db2.gz	NAECKKRIYXLQAC-FZMZJTMJSA-N	1	0	373.413	1.322	20	30		FDEDRO
C=CCCCCCCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1	ZINC000861632170	983797048	/nfs/dbraw/zinc/79/70/48/983797048.db2.gz	PDYZUZGWQGRBLX-UHFFFAOYSA-N	1	0	351.495	1.475	20	30		FDEDRO
N#CC[C@@H]1CC[C@H](NC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)C1	ZINC000861635886	983798002	/nfs/dbraw/zinc/79/80/02/983798002.db2.gz	XSXDSWATBBKATN-UGQVUOCMSA-N	1	0	361.446	1.035	20	30		FDEDRO
C=CCCCCCNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1	ZINC000861648908	983800858	/nfs/dbraw/zinc/80/08/58/983800858.db2.gz	ZEBUVMQGRRWYTA-CVEARBPZSA-N	1	0	350.463	1.699	20	30		FDEDRO
C#C[C@H](NC(=O)NC[C@@H]1COCC[NH2+]1)c1ccc(Br)cc1	ZINC000861687739	983827750	/nfs/dbraw/zinc/82/77/50/983827750.db2.gz	YBTHJLRHOAPDKI-KGLIPLIRSA-N	1	0	352.232	1.411	20	30		FDEDRO
O=C(N[C@H]1CCCN(O)C1=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1	ZINC000861828461	983943563	/nfs/dbraw/zinc/94/35/63/983943563.db2.gz	ROFIAWITHABJKA-KSZLIROESA-N	1	0	357.454	1.641	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NC2CCC([NH+](C)C)CC2)c(F)cc1C#N	ZINC000861891753	983977764	/nfs/dbraw/zinc/97/77/64/983977764.db2.gz	JLWIJDANICDWRP-UHFFFAOYSA-N	1	0	362.405	1.633	20	30		FDEDRO
N#CCOc1cccc(CC(=O)N2CCC([N@@H+]3CCCOCC3)CC2)c1	ZINC000861985021	984023353	/nfs/dbraw/zinc/02/33/53/984023353.db2.gz	QRBIIHBQFAQCCX-UHFFFAOYSA-N	1	0	357.454	1.845	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1	ZINC000862194139	984230848	/nfs/dbraw/zinc/23/08/48/984230848.db2.gz	DWMHMDSIFZOSEP-INIZCTEOSA-N	1	0	361.442	1.028	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCCS1(=O)=O)C2	ZINC001110817210	984344031	/nfs/dbraw/zinc/34/40/31/984344031.db2.gz	RSDUJVLDBOVPLE-HZMVEIRTSA-N	1	0	369.531	1.488	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCOC[C@H]1C[NH2+]Cc1cnc2c(C#N)cnn2c1	ZINC000862513995	984402678	/nfs/dbraw/zinc/40/26/78/984402678.db2.gz	XXFWGMXCQQHWQP-OAHLLOKOSA-N	1	0	372.429	1.326	20	30		FDEDRO
C#CC[C@H](COC)[NH2+]C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1	ZINC000862551068	984410422	/nfs/dbraw/zinc/41/04/22/984410422.db2.gz	QOWAKOMWEBIDJQ-JKSUJKDBSA-N	1	0	367.490	1.378	20	30		FDEDRO
C=CCn1cc(CNC(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)nn1	ZINC000868721942	984568487	/nfs/dbraw/zinc/56/84/87/984568487.db2.gz	IYNZKOWGYZVXHM-UHFFFAOYSA-N	1	0	368.485	1.927	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1	ZINC000884855445	984892014	/nfs/dbraw/zinc/89/20/14/984892014.db2.gz	GOIGKWGSTAQTKO-UHFFFAOYSA-N	1	0	350.488	1.595	20	30		FDEDRO
C[NH+]1CCN(CCCCNS(=O)(=O)c2ccc(CCC#N)cc2)CC1	ZINC000884931862	984980532	/nfs/dbraw/zinc/98/05/32/984980532.db2.gz	HNJLEEUJIAVRAZ-UHFFFAOYSA-N	1	0	364.515	1.449	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000885014771	985076819	/nfs/dbraw/zinc/07/68/19/985076819.db2.gz	NVNLPJKHRKXJTC-BCDXTJNWSA-N	1	0	371.481	1.857	20	30		FDEDRO
C=CCOc1c(Br)cc(C[NH2+][C@@H]2C[C@@H](O)[C@@H](O)C2)cc1OC	ZINC000886241021	985985657	/nfs/dbraw/zinc/98/56/57/985985657.db2.gz	MHRWQIHXLSGGSK-DEZZGGKRSA-N	1	0	372.259	1.996	20	30		FDEDRO
C#CC[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)C1	ZINC000886355428	986094180	/nfs/dbraw/zinc/09/41/80/986094180.db2.gz	IMEKXAXWOXQCKF-GOSISDBHSA-N	1	0	353.466	1.884	20	30		FDEDRO
C#CC[C@H]1CC[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000886364284	986103537	/nfs/dbraw/zinc/10/35/37/986103537.db2.gz	VKJIYEQMOAWREN-PXNSSMCTSA-N	1	0	368.456	1.880	20	30		FDEDRO
CC(C)[C@H](C[NH+](C)C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000870569226	986125890	/nfs/dbraw/zinc/12/58/90/986125890.db2.gz	PNWCEJMHGOHSDK-CJNGLKHVSA-N	1	0	367.471	1.354	20	30		FDEDRO
C#CCC[NH+]1CCC(NS(=O)(=O)c2ccc(C(C)=O)c(F)c2)CC1	ZINC000886408751	986168686	/nfs/dbraw/zinc/16/86/86/986168686.db2.gz	UJIPSXJGPWEZTN-UHFFFAOYSA-N	1	0	352.431	1.794	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH2+][C@]1(CO)CCCN(Cc2ccccc2)C1	ZINC000886415898	986184577	/nfs/dbraw/zinc/18/45/77/986184577.db2.gz	QKJYSDVVXVYDPH-HXUWFJFHSA-N	1	0	358.486	1.365	20	30		FDEDRO
C#CCN(C(=O)c1nn2c(c1Br)CCC2)C1CC[NH+](C)CC1	ZINC000886572440	986372643	/nfs/dbraw/zinc/37/26/43/986372643.db2.gz	MHMSJVUCRDKXSU-UHFFFAOYSA-N	1	0	365.275	1.761	20	30		FDEDRO
C#CCN(C(=O)Cc1ccccc1O[C@@H]1CCOC1)C1CC[NH+](C)CC1	ZINC000886574613	986373857	/nfs/dbraw/zinc/37/38/57/986373857.db2.gz	MGZZJXPAHLXPSF-LJQANCHMSA-N	1	0	356.466	1.953	20	30		FDEDRO
C#CCN(C(=O)CCSc1ncnc2[nH]cnc21)C1CC[NH+](C)CC1	ZINC000886574892	986374100	/nfs/dbraw/zinc/37/41/00/986374100.db2.gz	XOXHWAGDGWOAJV-UHFFFAOYSA-N	1	0	358.471	1.391	20	30		FDEDRO
C#CCN(C(=O)/C=C/C(=O)NCc1ccc(OC)cc1)C1CC[NH+](C)CC1	ZINC000886573858	986374583	/nfs/dbraw/zinc/37/45/83/986374583.db2.gz	ZEKUIYWERXKWDD-MDZDMXLPSA-N	1	0	369.465	1.424	20	30		FDEDRO
C#CCN(C(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1)C1CC[NH+](C)CC1	ZINC000886580163	986380916	/nfs/dbraw/zinc/38/09/16/986380916.db2.gz	XXCMDYCRMQQEGE-UHFFFAOYSA-N	1	0	367.471	1.008	20	30		FDEDRO
C#CCN(C(=O)Cn1cc(C(N)=O)c2ccccc21)C1CC[NH+](C)CC1	ZINC000886583514	986387532	/nfs/dbraw/zinc/38/75/32/986387532.db2.gz	SWJLIGGEFANHQI-UHFFFAOYSA-N	1	0	352.438	1.296	20	30		FDEDRO
C[C@@H]([NH2+]CCc1nnc2c(=O)n(C)ccn12)c1ccc(OCC#N)cc1	ZINC000886699012	986483438	/nfs/dbraw/zinc/48/34/38/986483438.db2.gz	RIPNLVJTPYRRAL-CYBMUJFWSA-N	1	0	352.398	1.224	20	30		FDEDRO
C=CCC[C@H]([NH2+]Cc1nnc2c(=O)[nH]ccn12)[C@@H]1Cc2ccccc2O1	ZINC000886705928	986489632	/nfs/dbraw/zinc/48/96/32/986489632.db2.gz	FLNSYPZOJUJPPC-HOCLYGCPSA-N	1	0	351.410	1.846	20	30		FDEDRO
CC(=O)N1CC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)C1	ZINC001095348560	986510515	/nfs/dbraw/zinc/51/05/15/986510515.db2.gz	NTABIIGOAUVIPT-QYZOEREBSA-N	1	0	352.438	1.258	20	30		FDEDRO
C=CCC1(O)CC[NH+](CC(=O)N2CCN(c3ccccc3F)CC2)CC1	ZINC000886768537	986571429	/nfs/dbraw/zinc/57/14/29/986571429.db2.gz	CJBCRSVKJXUHPQ-UHFFFAOYSA-N	1	0	361.461	1.877	20	30		FDEDRO
C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]2[C@@H](CC[N@H+]2C)C1	ZINC000871054130	986622228	/nfs/dbraw/zinc/62/22/28/986622228.db2.gz	OCNNDIAFPBJTOR-GJZGRUSLSA-N	1	0	367.457	1.642	20	30		FDEDRO
N#CCCc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1	ZINC000886889344	986693113	/nfs/dbraw/zinc/69/31/13/986693113.db2.gz	QOHJPYRLRWVOEH-OCCSQVGLSA-N	1	0	361.389	1.900	20	30		FDEDRO
COc1ccc(C#N)cc1Cn1cnc2c(cnn2C2CC[NH2+]CC2)c1=O	ZINC000871677427	987191897	/nfs/dbraw/zinc/19/18/97/987191897.db2.gz	KHSAFGRULJBYHI-UHFFFAOYSA-N	1	0	364.409	1.446	20	30		FDEDRO
N#Cc1cc(Cn2cnc3c(cnn3C3CC[NH2+]CC3)c2=O)ccc1F	ZINC000871678356	987193386	/nfs/dbraw/zinc/19/33/86/987193386.db2.gz	XVTZNTBHSOOZKX-UHFFFAOYSA-N	1	0	352.373	1.577	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)Nc3cc(CC#N)ccn3)cn2)CC1	ZINC000871720038	987207524	/nfs/dbraw/zinc/20/75/24/987207524.db2.gz	AXALFVKCOHWUOH-UHFFFAOYSA-N	1	0	365.441	1.616	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1	ZINC000871805643	987250433	/nfs/dbraw/zinc/25/04/33/987250433.db2.gz	NARVPNZLRWZQAD-SJORKVTESA-N	1	0	363.483	1.774	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c(C#N)c1	ZINC000871806265	987251029	/nfs/dbraw/zinc/25/10/29/987251029.db2.gz	ZXSJQHROWBAARO-AEFFLSMTSA-N	1	0	363.483	1.774	20	30		FDEDRO
COc1ccc(NCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1C#N	ZINC000871866773	987291483	/nfs/dbraw/zinc/29/14/83/987291483.db2.gz	NQBLLUHJIHCOHQ-QGZVFWFLSA-N	1	0	360.458	1.452	20	30		FDEDRO
C[NH+](C)CCn1cc(NS(=O)(=O)c2cc(F)cc(C#N)c2)ccc1=O	ZINC000872004274	987435957	/nfs/dbraw/zinc/43/59/57/987435957.db2.gz	JRXWFRXYVYBIRF-UHFFFAOYSA-N	1	0	364.402	1.221	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[NH2+]CCC2(C)C)ccc1F	ZINC000872291128	987576788	/nfs/dbraw/zinc/57/67/88/987576788.db2.gz	MPGBBYNGOKUQTD-UHFFFAOYSA-N	1	0	369.462	1.504	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)c(C#N)c1	ZINC000872477347	987701586	/nfs/dbraw/zinc/70/15/86/987701586.db2.gz	HAIBFQLRGKZUBS-HNNXBMFYSA-N	1	0	350.488	1.171	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(S(=O)(=O)c2c(C)cccc2C#N)CC1	ZINC000872482677	987707792	/nfs/dbraw/zinc/70/77/92/987707792.db2.gz	XSUQMHRRWABNCW-UHFFFAOYSA-N	1	0	372.450	1.781	20	30		FDEDRO
CC[N@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)[C@@H](C)CO	ZINC000292859373	987916664	/nfs/dbraw/zinc/91/66/64/987916664.db2.gz	ADWSJZNGSCXRMJ-MAUKXSAKSA-N	1	0	362.449	1.237	20	30		FDEDRO
CN(C(=O)Nc1ccn(CCC#N)n1)C1CCN(c2cc[nH+]cc2)CC1	ZINC000365645402	987946414	/nfs/dbraw/zinc/94/64/14/987946414.db2.gz	BJVDLYMAHCVXHZ-UHFFFAOYSA-N	1	0	353.430	2.324	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)nc1	ZINC000293224215	987996236	/nfs/dbraw/zinc/99/62/36/987996236.db2.gz	BTDZSUVDPGAXHF-KRWDZBQOSA-N	1	0	363.421	1.673	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2	ZINC000293321480	988034861	/nfs/dbraw/zinc/03/48/61/988034861.db2.gz	JYOWDTMPCFFSCO-FOIQADDNSA-N	1	0	370.453	1.860	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCN(CC2CC2)CC1	ZINC000299022750	988047407	/nfs/dbraw/zinc/04/74/07/988047407.db2.gz	HZKGLKZYAFZASP-UHFFFAOYSA-N	1	0	366.465	1.627	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(N(CC)C(C)C)cc1	ZINC000293422880	988070029	/nfs/dbraw/zinc/07/00/29/988070029.db2.gz	QDRVCEVCSNTLNL-UHFFFAOYSA-N	1	0	358.486	1.931	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)CC1	ZINC000360554418	988073516	/nfs/dbraw/zinc/07/35/16/988073516.db2.gz	GHDVHWMALDLKRB-KRWDZBQOSA-N	1	0	359.514	1.829	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccnc1-c1ccccc1	ZINC000293483537	988089167	/nfs/dbraw/zinc/08/91/67/988089167.db2.gz	VVKLIOWGTGLGLL-UHFFFAOYSA-N	1	0	350.422	1.758	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1	ZINC000872830575	988142176	/nfs/dbraw/zinc/14/21/76/988142176.db2.gz	ZQBSTEOUMDIEPP-UHFFFAOYSA-N	1	0	366.550	1.579	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)CC1	ZINC000365881914	988185738	/nfs/dbraw/zinc/18/57/38/988185738.db2.gz	DSGGCEIGYUFUGQ-YWZLYKJASA-N	1	0	352.438	1.590	20	30		FDEDRO
C=CCCn1cc(CN(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1	ZINC000653625983	1015369592	/nfs/dbraw/zinc/36/95/92/1015369592.db2.gz	ZZSSHNPEFOPXEG-FQEVSTJZSA-N	1	0	355.486	1.923	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)cn1	ZINC000872875251	988219631	/nfs/dbraw/zinc/21/96/31/988219631.db2.gz	DCLFMUPWPYGVDF-ZWKOTPCHSA-N	1	0	354.458	1.412	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2cc(C#N)ccc2F)c1	ZINC000825633925	988220763	/nfs/dbraw/zinc/22/07/63/988220763.db2.gz	FOKILNWHGDHQNN-UHFFFAOYSA-N	1	0	368.412	1.919	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1	ZINC000365976017	988275174	/nfs/dbraw/zinc/27/51/74/988275174.db2.gz	VZRBJTLIFQZOSM-PMPSAXMXSA-N	1	0	354.458	1.260	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC000872937051	988307758	/nfs/dbraw/zinc/30/77/58/988307758.db2.gz	CKPOTYZVGQZRFC-RDTXWAMCSA-N	1	0	354.458	1.268	20	30		FDEDRO
CSc1ccc([C@@H](CNc2c(C#N)c(=O)n(C)c(=O)n2C)[NH+](C)C)cc1	ZINC000294137250	988316215	/nfs/dbraw/zinc/31/62/15/988316215.db2.gz	QILNKIBWSUNIFI-OAHLLOKOSA-N	1	0	373.482	1.392	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCc2[nH]cnc2C1	ZINC000366114447	988426347	/nfs/dbraw/zinc/42/63/47/988426347.db2.gz	OJUXKMSIJZQGSP-QGZVFWFLSA-N	1	0	366.469	1.912	20	30		FDEDRO
CO[C@H]1COCC[C@@H]1CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000294770510	988536247	/nfs/dbraw/zinc/53/62/47/988536247.db2.gz	QWFDFMCJJCNAFR-MOPGFXCFSA-N	1	0	359.470	1.890	20	30		FDEDRO
C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C2	ZINC000873107136	988567321	/nfs/dbraw/zinc/56/73/21/988567321.db2.gz	JUUFRBYBIAOGDO-MEDUHNTESA-N	1	0	366.343	1.583	20	30		FDEDRO
COCCC[N@@H+]1CCCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1	ZINC000366386925	988663273	/nfs/dbraw/zinc/66/32/73/988663273.db2.gz	KBAWSGHEUGJLNH-IBGZPJMESA-N	1	0	354.454	1.811	20	30		FDEDRO
C#CCC[NH+]1CCN(CCC(=O)Nc2ccc(N3CCOCC3)cc2)CC1	ZINC000299734023	988708764	/nfs/dbraw/zinc/70/87/64/988708764.db2.gz	ZGDHSKJUZHSYNB-UHFFFAOYSA-N	1	0	370.497	1.493	20	30		FDEDRO
N#CCC1(CNC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)CC1	ZINC000366753975	988767456	/nfs/dbraw/zinc/76/74/56/988767456.db2.gz	AFXUCJQXGKBJIQ-MSOLQXFVSA-N	1	0	356.470	1.862	20	30		FDEDRO
N#CCC1(CNC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)CC1	ZINC000366753977	988768016	/nfs/dbraw/zinc/76/80/16/988768016.db2.gz	AFXUCJQXGKBJIQ-ROUUACIJSA-N	1	0	356.470	1.862	20	30		FDEDRO
C#CC[C@H](NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1	ZINC000366761937	988768876	/nfs/dbraw/zinc/76/88/76/988768876.db2.gz	LYIWACRELOIRJH-UXHICEINSA-N	1	0	370.497	1.457	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCCN([C@H]3CCN(CC=C)C3=O)CC2)C1=O	ZINC000367193243	988939877	/nfs/dbraw/zinc/93/98/77/988939877.db2.gz	FURQGWUQHGJCJT-QRVBRYPASA-N	1	0	374.529	1.347	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1C#N	ZINC000873655826	988942929	/nfs/dbraw/zinc/94/29/29/988942929.db2.gz	NAAGXBDMSIURRS-AWEZNQCLSA-N	1	0	358.442	1.886	20	30		FDEDRO
N#CCNC(=O)CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1	ZINC000367778515	988967149	/nfs/dbraw/zinc/96/71/49/988967149.db2.gz	VYNLGSYHGCJLGG-ALOPSCKCSA-N	1	0	355.442	1.121	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H](OCC3CC3)C2)CC1	ZINC000368800728	989009486	/nfs/dbraw/zinc/00/94/86/989009486.db2.gz	RFGOGGCKXCZFEE-OALUTQOASA-N	1	0	362.518	1.570	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)cc1	ZINC000368986691	989018659	/nfs/dbraw/zinc/01/86/59/989018659.db2.gz	KSEFSSVSCAEAAM-IEBWSBKVSA-N	1	0	372.469	1.889	20	30		FDEDRO
N#Cc1ccc(C[C@H](C#N)C(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)cc1	ZINC000369101942	989025342	/nfs/dbraw/zinc/02/53/42/989025342.db2.gz	STKGZDMZFIECAS-XUVXKRRUSA-N	1	0	366.465	1.858	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1ccc(F)cc1	ZINC000369222196	989034835	/nfs/dbraw/zinc/03/48/35/989034835.db2.gz	ZYUACYLDGCYJGT-MSOLQXFVSA-N	1	0	359.449	1.810	20	30		FDEDRO
CCc1nc(CN2CCC[C@@H]([N@H+](C)CCC(=O)N(C)CCC#N)C2)no1	ZINC000369446185	989052726	/nfs/dbraw/zinc/05/27/26/989052726.db2.gz	XZUWNSAHASPXDP-OAHLLOKOSA-N	1	0	362.478	1.290	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)N1CCC[C@H]([NH+]2CCCCC2)C1	ZINC000363304230	989077052	/nfs/dbraw/zinc/07/70/52/989077052.db2.gz	AWAOAFJOVVFURL-IJYGLTAASA-N	1	0	360.458	1.380	20	30		FDEDRO
C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000369731264	989129925	/nfs/dbraw/zinc/12/99/25/989129925.db2.gz	UGWBHSHIWABVSY-CYBMUJFWSA-N	1	0	370.482	1.822	20	30		FDEDRO
CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cc(C#N)c(F)cc1C	ZINC000873761211	989134706	/nfs/dbraw/zinc/13/47/06/989134706.db2.gz	UOKYRORSJZGGKC-AWEZNQCLSA-N	1	0	364.421	1.417	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1	ZINC000363418579	989180869	/nfs/dbraw/zinc/18/08/69/989180869.db2.gz	PIHVCADVZZGSFL-INIZCTEOSA-N	1	0	369.465	1.652	20	30		FDEDRO
C[NH+](C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)Nc1ccn(CCC#N)n1	ZINC000363424683	989187308	/nfs/dbraw/zinc/18/73/08/989187308.db2.gz	UCKCCMNCUBJSDL-WMZOPIPTSA-N	1	0	352.442	2.536	20	30		FDEDRO
Cc1nnc(N2C[C@@H](F)C[C@H]2C[NH2+]Cc2cnc3ccc(C#N)cn23)o1	ZINC000369860078	989249774	/nfs/dbraw/zinc/24/97/74/989249774.db2.gz	BGTOUOUZYOHEDT-KBPBESRZSA-N	1	0	355.377	1.604	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1=O	ZINC000296685752	989362973	/nfs/dbraw/zinc/36/29/73/989362973.db2.gz	CUCLPYLHXCYNHQ-GOSISDBHSA-N	1	0	356.470	1.350	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@]2(NC(C)=O)CCCc3ccccc32)CC1	ZINC000370022759	989393166	/nfs/dbraw/zinc/39/31/66/989393166.db2.gz	XWNGHDBRYGHWNG-JOCHJYFZSA-N	1	0	367.493	1.958	20	30		FDEDRO
Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2	ZINC000873895222	989408165	/nfs/dbraw/zinc/40/81/65/989408165.db2.gz	JSSDMPMIERMTQX-LJQANCHMSA-N	1	0	358.417	1.889	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCN(C(=O)Cc2ccccc2F)CC1	ZINC000296806566	989420856	/nfs/dbraw/zinc/42/08/56/989420856.db2.gz	IMARWANPTKCABD-UHFFFAOYSA-N	1	0	374.460	1.177	20	30		FDEDRO
CC[C@@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1=O)c1ccc(C#N)cc1	ZINC000370083106	989439232	/nfs/dbraw/zinc/43/92/32/989439232.db2.gz	PMKOBWGSCWDUIX-WOJBJXKFSA-N	1	0	370.497	1.922	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCCN(C(=O)c2cccc(C)c2)CC1	ZINC000297032091	989462466	/nfs/dbraw/zinc/46/24/66/989462466.db2.gz	VZCIHDFVIXFEEN-UHFFFAOYSA-N	1	0	370.497	1.808	20	30		FDEDRO
CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N(C)C[C@@H](C)C#N	ZINC000297722754	989658485	/nfs/dbraw/zinc/65/84/85/989658485.db2.gz	JTIDCNNRQROQPN-PKOBYXMFSA-N	1	0	370.497	1.975	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@]1(C#N)CCc2ccccc2C1	ZINC000370373209	989696756	/nfs/dbraw/zinc/69/67/56/989696756.db2.gz	BVLIUHFYIGUYNQ-UTKZUKDTSA-N	1	0	354.498	1.827	20	30		FDEDRO
C[C@@H](C#N)CN(C)C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000297861327	989729608	/nfs/dbraw/zinc/72/96/08/989729608.db2.gz	SRQDWRBXRIQOAX-RYQLBKOJSA-N	1	0	354.454	1.195	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)s1	ZINC000874188484	989918967	/nfs/dbraw/zinc/91/89/67/989918967.db2.gz	OUDQZYPMPCIVNI-GFCCVEGCSA-N	1	0	369.512	1.108	20	30		FDEDRO
N#CCn1cc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)cn1	ZINC000874253385	989988097	/nfs/dbraw/zinc/98/80/97/989988097.db2.gz	OCFOKPKESZQMTI-QUCCMNQESA-N	1	0	365.437	1.884	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)Cc1ccc(OCC#N)cc1	ZINC000370823632	990018843	/nfs/dbraw/zinc/01/88/43/990018843.db2.gz	JXHVDNJODSRMJL-QRQLOZEOSA-N	1	0	357.454	1.842	20	30		FDEDRO
CC[NH+](CC)[C@@H](C)CNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000365095608	990020153	/nfs/dbraw/zinc/02/01/53/990020153.db2.gz	IVMIUVKISFHGEW-MAUKXSAKSA-N	1	0	356.470	1.896	20	30		FDEDRO
N#Cc1ccc(NC(=O)CCN2CCN(C3(C(N)=O)CCCC3)CC2)cc1	ZINC000370873724	990072619	/nfs/dbraw/zinc/07/26/19/990072619.db2.gz	VXMOVVLPITYDMH-UHFFFAOYSA-N	1	0	369.469	1.303	20	30		FDEDRO
Cn1cc([C@H]2[C@@H](CNC(=O)COc3ccc(C#N)cc3)CCC[N@@H+]2C)cn1	ZINC000370919374	990123005	/nfs/dbraw/zinc/12/30/05/990123005.db2.gz	WAPBJNFQVZJFFF-OXQOHEQNSA-N	1	0	367.453	1.870	20	30		FDEDRO
Cn1cc([C@@H]2[C@@H](CNC(=O)COc3ccc(C#N)cc3)CCC[N@@H+]2C)cn1	ZINC000370919375	990123207	/nfs/dbraw/zinc/12/32/07/990123207.db2.gz	WAPBJNFQVZJFFF-UZLBHIALSA-N	1	0	367.453	1.870	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)[N@@H+]1CCC[C@H](C)C1	ZINC000298645345	990214133	/nfs/dbraw/zinc/21/41/33/990214133.db2.gz	FGSHNXCAZVIFSL-DLBZAZTESA-N	1	0	370.501	1.905	20	30		FDEDRO
CC[NH+](CC)CCNC(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000371108663	990254907	/nfs/dbraw/zinc/25/49/07/990254907.db2.gz	KLGFRJSEEKLNAQ-IFXJQAMLSA-N	1	0	355.442	1.383	20	30		FDEDRO
CON=C(C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1csc(N)n1	ZINC000874467697	990309563	/nfs/dbraw/zinc/30/95/63/990309563.db2.gz	NAPRDLDMBZNLSQ-UHFFFAOYSA-N	1	0	351.476	1.410	20	30		FDEDRO
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000371320592	990357575	/nfs/dbraw/zinc/35/75/75/990357575.db2.gz	GNZUXSVRJNZYPA-ZWKOTPCHSA-N	1	0	370.453	1.186	20	30		FDEDRO
CO/N=C/c1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1	ZINC000371355807	990378339	/nfs/dbraw/zinc/37/83/39/990378339.db2.gz	SBCUUTBOUMLVMU-ZIFNLWPCSA-N	1	0	358.486	1.765	20	30		FDEDRO
C[C@H]([NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccc(OCC#N)cc1	ZINC000371479822	990460691	/nfs/dbraw/zinc/46/06/91/990460691.db2.gz	JYTLYCFKDLKLIJ-OHNRDTAOSA-N	1	0	356.426	1.960	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C	ZINC000964587313	1015567979	/nfs/dbraw/zinc/56/79/79/1015567979.db2.gz	XGEBLHOOOMDPRF-BDXSIMOUSA-N	1	0	365.518	1.805	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCCN(c2ncccc2C(N)=O)CC1	ZINC000371558441	990524768	/nfs/dbraw/zinc/52/47/68/990524768.db2.gz	VTTYWIWUOFVFHD-MRXNPFEDSA-N	1	0	373.501	1.506	20	30		FDEDRO
C=C(Br)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2	ZINC001095437806	990781548	/nfs/dbraw/zinc/78/15/48/990781548.db2.gz	HWLYSYMMEYUERO-ZSAUSMIDSA-N	1	0	356.308	1.957	20	30		FDEDRO
C[C@H](C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C)n1cnc(C#N)n1	ZINC000409737191	990787598	/nfs/dbraw/zinc/78/75/98/990787598.db2.gz	AWIXLGCHUUNWCU-HZPDHXFCSA-N	1	0	352.442	1.834	20	30		FDEDRO
Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CNC(=O)c1cc(C#N)c[nH]1	ZINC000371885039	990797467	/nfs/dbraw/zinc/79/74/67/990797467.db2.gz	YGUHMFQTBAHKHE-UHFFFAOYSA-N	1	0	355.446	1.000	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C	ZINC000875059255	990805864	/nfs/dbraw/zinc/80/58/64/990805864.db2.gz	MWGDCPDGFMSXNE-SJORKVTESA-N	1	0	363.433	1.089	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000875088739	990871340	/nfs/dbraw/zinc/87/13/40/990871340.db2.gz	DRAXLIGRKLLZJW-OALUTQOASA-N	1	0	371.481	1.312	20	30		FDEDRO
CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C#Cc3ccc4c(c3)OCO4)C2)CC1	ZINC000372012477	990892990	/nfs/dbraw/zinc/89/29/90/990892990.db2.gz	IIXBROYZZCYGLT-GOSISDBHSA-N	1	0	369.465	1.394	20	30		FDEDRO
C[C@H](CC[NH+](C)C)NC(=O)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000372208094	990961019	/nfs/dbraw/zinc/96/10/19/990961019.db2.gz	AWEFXSJETNMFMC-LPMFXHHGSA-N	1	0	355.442	1.382	20	30		FDEDRO
C[N@H+](CCNC(=O)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O)C1CC1	ZINC000372209913	990962101	/nfs/dbraw/zinc/96/21/01/990962101.db2.gz	MOYBRPLSOCRPBN-YJYMSZOUSA-N	1	0	353.426	1.136	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1	ZINC000372289038	990997456	/nfs/dbraw/zinc/99/74/56/990997456.db2.gz	WJQKKGXAXQYOIF-RTBURBONSA-N	1	0	368.481	1.603	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)CN2CCCC[C@H]2C(=[NH2+])NO)c(OC)c1	ZINC000372309007	991006447	/nfs/dbraw/zinc/00/64/47/991006447.db2.gz	MHAIUOOATZJGOD-HOTGVXAUSA-N	1	0	363.458	1.974	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C2CCC2)[C@@H]2CCOC2)CC1	ZINC000875182059	991021919	/nfs/dbraw/zinc/02/19/19/991021919.db2.gz	CUNZYJOYYQKJQK-AEFFLSMTSA-N	1	0	363.502	1.465	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000875249568	991192900	/nfs/dbraw/zinc/19/29/00/991192900.db2.gz	AOANQRRNKUMARQ-QXAKKESOSA-N	1	0	371.481	1.168	20	30		FDEDRO
CN1CCC[C@@]2(CC[N@H+](CC(=O)N(CCC#N)c3ccccc3)C2)C1=O	ZINC000372558194	991212111	/nfs/dbraw/zinc/21/21/11/991212111.db2.gz	RQBMLJYWVVIEOK-FQEVSTJZSA-N	1	0	354.454	1.878	20	30		FDEDRO
CCC1([NH+](C)C)CCN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CC1	ZINC000875266888	991225743	/nfs/dbraw/zinc/22/57/43/991225743.db2.gz	CTHOFPXIPUPZJI-NXVVXOECSA-N	1	0	363.462	1.029	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)cc1	ZINC000372579838	991240342	/nfs/dbraw/zinc/24/03/42/991240342.db2.gz	XZBGRBUDNZXNND-NVXWUHKLSA-N	1	0	356.426	1.114	20	30		FDEDRO
C=CCN(C(=O)C1=NN(C)C(=O)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000372602069	991257285	/nfs/dbraw/zinc/25/72/85/991257285.db2.gz	UETPHAKNHLHIEU-QGZVFWFLSA-N	1	0	354.454	1.884	20	30		FDEDRO
Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2nn(C(C)(C)C)cc2C#N)cn1	ZINC000875395442	991461832	/nfs/dbraw/zinc/46/18/32/991461832.db2.gz	XWXOYCPKUKOWHK-HOTGVXAUSA-N	1	0	369.473	1.917	20	30		FDEDRO
CN1CCC([N@@H+]2CC[C@H](NC(=O)Cc3cccc(OCC#N)c3)C2)CC1	ZINC000372859472	991609683	/nfs/dbraw/zinc/60/96/83/991609683.db2.gz	URIYRWGBIZXVJL-KRWDZBQOSA-N	1	0	356.470	1.416	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(CCOC)CC1CC[NH+](C)CC1	ZINC000875555142	991730105	/nfs/dbraw/zinc/73/01/05/991730105.db2.gz	KOCYCSMQRKIXOU-QZTJIDSGSA-N	1	0	353.507	1.967	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1	ZINC000875606473	991797257	/nfs/dbraw/zinc/79/72/57/991797257.db2.gz	VLGAHFCVKXBUFM-ROUUACIJSA-N	1	0	363.502	1.256	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1	ZINC000875918166	992190098	/nfs/dbraw/zinc/19/00/98/992190098.db2.gz	MWXIDJYKWFFOEO-SFHVURJKSA-N	1	0	364.534	1.615	20	30		FDEDRO
C[NH+]1CCC(n2cc(NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)cn2)CC1	ZINC000876017432	992253050	/nfs/dbraw/zinc/25/30/50/992253050.db2.gz	HOEYVXLFXLPBHC-QGZVFWFLSA-N	1	0	357.462	1.354	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCC[C@H]([NH+]3CCOCC3)CC1)C2	ZINC000876278805	992519463	/nfs/dbraw/zinc/51/94/63/992519463.db2.gz	HYNFUWOFRIODIQ-UXHICEINSA-N	1	0	368.481	1.922	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CC2)C1	ZINC000876279633	992520573	/nfs/dbraw/zinc/52/05/73/992520573.db2.gz	RRUZNMDSMJGSOO-UXHICEINSA-N	1	0	367.497	1.447	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N2CCOC[C@@]2(COC)C[NH+](C)C)cc1	ZINC000876474843	992645764	/nfs/dbraw/zinc/64/57/64/992645764.db2.gz	IJQLIOGWPYXNNW-FQEVSTJZSA-N	1	0	360.454	1.508	20	30		FDEDRO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1	ZINC000411883843	992678197	/nfs/dbraw/zinc/67/81/97/992678197.db2.gz	DKKKSKQGNZZDBI-KRWDZBQOSA-N	1	0	369.469	1.687	20	30		FDEDRO
CCCC(=O)NC1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876605358	992736685	/nfs/dbraw/zinc/73/66/85/992736685.db2.gz	MLTQSTNLOCDPIV-LJQANCHMSA-N	1	0	354.454	1.652	20	30		FDEDRO
CCCCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876633349	992758728	/nfs/dbraw/zinc/75/87/28/992758728.db2.gz	AUDVXYXQISBTKC-PKOBYXMFSA-N	1	0	368.481	1.900	20	30		FDEDRO
C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](N)C[NH+](C)C	ZINC000876635122	992760154	/nfs/dbraw/zinc/76/01/54/992760154.db2.gz	MUDLEJZNXMTNDJ-AWEZNQCLSA-N	1	0	358.255	1.992	20	30		FDEDRO
COc1cccc([C@H](O)CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)c1	ZINC000876637409	992761688	/nfs/dbraw/zinc/76/16/88/992761688.db2.gz	NGLXHTRAQGNPPO-RTBURBONSA-N	1	0	351.406	1.603	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCN(c2ccccc2O)CC1	ZINC000876707693	992813644	/nfs/dbraw/zinc/81/36/44/992813644.db2.gz	OSCJFXWPUNMMSZ-HXUWFJFHSA-N	1	0	362.433	1.799	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC(C#N)(c3ccccn3)CC2)C1	ZINC000374414496	992830674	/nfs/dbraw/zinc/83/06/74/992830674.db2.gz	HOAXZTZFSMCYKB-MRXNPFEDSA-N	1	0	357.458	1.369	20	30		FDEDRO
Cc1nccn1-c1ccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)cn1	ZINC000374425568	992835763	/nfs/dbraw/zinc/83/57/63/992835763.db2.gz	XKIXGNUXQZWRGJ-UHFFFAOYSA-N	1	0	366.425	1.960	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1cccc(OCCN2CCOCC2)c1	ZINC000876738583	992856374	/nfs/dbraw/zinc/85/63/74/992856374.db2.gz	HMWSATKSCRYOLV-QGZVFWFLSA-N	1	0	367.877	1.484	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1	ZINC000876739593	992857159	/nfs/dbraw/zinc/85/71/59/992857159.db2.gz	DEWQNBFNNMAIBC-HZPDHXFCSA-N	1	0	355.841	1.785	20	30		FDEDRO
CC(C)C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C(=O)NCC[NH+](C)C	ZINC000412217839	992869579	/nfs/dbraw/zinc/86/95/79/992869579.db2.gz	LZPUZNYSOIOERM-OTWHNJEPSA-N	1	0	370.497	1.870	20	30		FDEDRO
Cc1cnc(N2CCN(C(=O)[C@H]3[NH2+]CCc4cc(C#N)ccc43)CC2)s1	ZINC000876770644	992894370	/nfs/dbraw/zinc/89/43/70/992894370.db2.gz	OQOMQAPXVMAECX-KRWDZBQOSA-N	1	0	367.478	1.859	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C)N1CCN(c2ccccc2)CC1	ZINC000876780005	992905089	/nfs/dbraw/zinc/90/50/89/992905089.db2.gz	AKDNJBCRZBHHEB-WBVHZDCISA-N	1	0	350.894	1.783	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)CN1CCN(c2ccccc2)CC1	ZINC000876784795	992912586	/nfs/dbraw/zinc/91/25/86/992912586.db2.gz	KEOQFMUXLYSUMZ-RDJZCZTQSA-N	1	0	350.894	1.783	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)C2(C[NH3+])CCC2)s1	ZINC000876867460	992941830	/nfs/dbraw/zinc/94/18/30/992941830.db2.gz	WFAWEUOVDHGNEH-UHFFFAOYSA-N	1	0	357.501	1.095	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1	ZINC000876905925	992962020	/nfs/dbraw/zinc/96/20/20/992962020.db2.gz	MMSCMNOWSPCAOO-ZIAGYGMSSA-N	1	0	363.824	1.985	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC3(CC[NH2+]3)CC2)s1	ZINC000876927984	992970953	/nfs/dbraw/zinc/97/09/53/992970953.db2.gz	QIXPMJDKDUBEDI-UHFFFAOYSA-N	1	0	369.512	1.109	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=O)C[NH2+]C2CCC(C#N)CC2)CC1	ZINC000876958297	992983040	/nfs/dbraw/zinc/98/30/40/992983040.db2.gz	YEQGMHXIHYQMTI-UHFFFAOYSA-N	1	0	350.463	1.738	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3cccc(OCCCC#N)c3)C[C@H]21	ZINC000375047166	992988362	/nfs/dbraw/zinc/98/83/62/992988362.db2.gz	CAEOSDFKWZJPLK-CRAIPNDOSA-N	1	0	370.453	1.860	20	30		FDEDRO
C=CCNC(=O)CN1CCN(c2cc[nH+]c3cc(OC)c(OC)cc32)CC1	ZINC000413040412	993056340	/nfs/dbraw/zinc/05/63/40/993056340.db2.gz	WDEBSMABGDYQTC-UHFFFAOYSA-N	1	0	370.453	1.676	20	30		FDEDRO
COCc1ncc2c(n1)CCN(C(=O)[C@H]1[NH2+]CCc3cc(C#N)ccc31)C2	ZINC000877129420	993062984	/nfs/dbraw/zinc/06/29/84/993062984.db2.gz	LLQFGQCTQZYZCZ-IBGZPJMESA-N	1	0	363.421	1.266	20	30		FDEDRO
COC[C@]1(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)CCCC[NH2+]1	ZINC000877249125	993145887	/nfs/dbraw/zinc/14/58/87/993145887.db2.gz	HWURPEINMATHLU-IBGZPJMESA-N	1	0	360.433	1.505	20	30		FDEDRO
C=CC[C@]1(C(=O)Nc2ccc(N3CCN(C(C)=O)CC3)cc2)CCC[NH2+]1	ZINC000877290588	993185183	/nfs/dbraw/zinc/18/51/83/993185183.db2.gz	JRKKOWJVUIYSJD-HXUWFJFHSA-N	1	0	356.470	1.992	20	30		FDEDRO
COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3cc(C#N)ccc3N(C)C)C2)nn1	ZINC000877366623	993251604	/nfs/dbraw/zinc/25/16/04/993251604.db2.gz	XALWZDMGRNKJOA-MRXNPFEDSA-N	1	0	368.441	1.839	20	30		FDEDRO
Cc1ccc(NC(=O)C(=O)NCCCCC#N)cc1NC(=O)CC[NH+](C)C	ZINC000467627428	993343430	/nfs/dbraw/zinc/34/34/30/993343430.db2.gz	UPCKYPCCHXGNRA-UHFFFAOYSA-N	1	0	373.457	1.634	20	30		FDEDRO
C=CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000651512825	1015782314	/nfs/dbraw/zinc/78/23/14/1015782314.db2.gz	DANSWLQUPXTNDH-JKSUJKDBSA-N	1	0	374.489	1.058	20	30		FDEDRO
Cc1onc(CC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1C#N	ZINC000468185434	993488709	/nfs/dbraw/zinc/48/87/09/993488709.db2.gz	AKFUBCSVGFVAFH-QGZVFWFLSA-N	1	0	368.437	1.670	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2C#N)CC[C@@H]1C[NH3+]	ZINC000923705228	993502097	/nfs/dbraw/zinc/50/20/97/993502097.db2.gz	YTFGYXKZFHELAC-GHMZBOCLSA-N	1	0	372.288	1.926	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)N[C@H]3CCCN(O)C3=O)cc2)CC1	ZINC000878022340	993620323	/nfs/dbraw/zinc/62/03/23/993620323.db2.gz	ZPMAXFCTEIVUPD-INIZCTEOSA-N	1	0	361.446	1.330	20	30		FDEDRO
C=CC[C@H](C(=O)OC)N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1	ZINC000878172835	993760551	/nfs/dbraw/zinc/76/05/51/993760551.db2.gz	MDFFTLJXECMDJR-ZIAGYGMSSA-N	1	0	352.435	1.402	20	30		FDEDRO
C=CC[C@H](C(=O)OC)N1CCCN(Cc2nc([C@H](C)OC)no2)CC1	ZINC000878172834	993760872	/nfs/dbraw/zinc/76/08/72/993760872.db2.gz	MDFFTLJXECMDJR-UONOGXRCSA-N	1	0	352.435	1.402	20	30		FDEDRO
C#CCn1ccc(CN(CC)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1	ZINC000878525713	993998393	/nfs/dbraw/zinc/99/83/93/993998393.db2.gz	DMRRSTXTBCEGHB-OAQYLSRUSA-N	1	0	352.482	1.975	20	30		FDEDRO
CC[N@H+](CCO)CCNC(=O)c1ccc(COc2ccc(C#N)cc2)o1	ZINC000470593209	994067464	/nfs/dbraw/zinc/06/74/64/994067464.db2.gz	VTOKZARIIDDLRD-UHFFFAOYSA-N	1	0	357.410	1.774	20	30		FDEDRO
C[C@@H]1C[NH+]([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)C[C@@H](C)N1CC#N	ZINC000878773195	994215506	/nfs/dbraw/zinc/21/55/06/994215506.db2.gz	WOTBWACTOJWRML-YKTARERQSA-N	1	0	366.506	1.665	20	30		FDEDRO
Cc1ncc(CNC(=O)CC[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)s1	ZINC000878802165	994242524	/nfs/dbraw/zinc/24/25/24/994242524.db2.gz	BOZASDYVZLCIFO-QGZVFWFLSA-N	1	0	358.467	1.995	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)N[C@H]1CCC[N@@H+]3CCSC[C@H]13)C2	ZINC000923942978	994284694	/nfs/dbraw/zinc/28/46/94/994284694.db2.gz	PXXWGKFCUOXWAE-FGTMMUONSA-N	1	0	356.495	1.904	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]C[C@@H]1CCc3ncnn31)C2	ZINC000965161369	1015865520	/nfs/dbraw/zinc/86/55/20/1015865520.db2.gz	QDPJXVRIYCVAMC-SIWCOCFESA-N	1	0	371.485	1.374	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC1	ZINC000879094929	994536027	/nfs/dbraw/zinc/53/60/27/994536027.db2.gz	NDUBRZKTLDZJNX-MJGOQNOKSA-N	1	0	363.408	1.162	20	30		FDEDRO
C[C@H](CC(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OCC#N)cc1	ZINC001110893398	994599554	/nfs/dbraw/zinc/59/95/54/994599554.db2.gz	HSSGRWYXOIWYJH-UWIFEVILSA-N	1	0	370.453	1.322	20	30		FDEDRO
CC[C@@H](C#N)Oc1cc(CN2C(=O)N[C@@H](C[NH+](C)C)C2=O)ccc1OC	ZINC000924646077	994909324	/nfs/dbraw/zinc/90/93/24/994909324.db2.gz	JVXUBBLVMXXOBR-KBPBESRZSA-N	1	0	360.414	1.358	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CC(=O)NCCC#N	ZINC000879437536	994913014	/nfs/dbraw/zinc/91/30/14/994913014.db2.gz	CCEZIKOREFBJTE-FZKCQIBNSA-N	1	0	362.474	1.594	20	30		FDEDRO
COC(=O)C[C@](C)([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C1CC1	ZINC000879442912	994917003	/nfs/dbraw/zinc/91/70/03/994917003.db2.gz	ZLHLVFHTSMOAQG-KRWDZBQOSA-N	1	0	350.440	1.653	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000879591156	995057189	/nfs/dbraw/zinc/05/71/89/995057189.db2.gz	KMTIYGIUQJSSGL-KRWDZBQOSA-N	1	0	361.534	1.429	20	30		FDEDRO
C#CCNC(=O)CC[N@H+]1C[C@@H](C(=O)OC(C)(C)C)C[C@@H](c2cnn(C)c2)C1	ZINC000879606104	995077735	/nfs/dbraw/zinc/07/77/35/995077735.db2.gz	QEWOFDDMKLUMHS-CVEARBPZSA-N	1	0	374.485	1.307	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C1	ZINC000968959114	1015942277	/nfs/dbraw/zinc/94/22/77/1015942277.db2.gz	WRFOUEIRXRGFJX-LESCRADOSA-N	1	0	359.426	1.083	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@H]([NH2+]C2CCOCC2)C1	ZINC000880211513	995723503	/nfs/dbraw/zinc/72/35/03/995723503.db2.gz	PIFHGKLCKVYFOR-WMZOPIPTSA-N	1	0	362.518	1.951	20	30		FDEDRO
C[C@H]1CN(CCS(=O)(=O)c2cccc(C#N)c2)CCN1c1cc[nH+]cc1	ZINC000880259925	995763484	/nfs/dbraw/zinc/76/34/84/995763484.db2.gz	LUYXWFFLZGYTPW-INIZCTEOSA-N	1	0	370.478	1.938	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)CC1	ZINC000925905364	995813065	/nfs/dbraw/zinc/81/30/65/995813065.db2.gz	WZLSUZFVVYNFDR-SFHVURJKSA-N	1	0	371.485	1.245	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ncc(C#N)cc1Cl)C2	ZINC000926168901	995954973	/nfs/dbraw/zinc/95/49/73/995954973.db2.gz	HTRASCPKBPNOFA-GZOSKZMVSA-N	1	0	362.861	1.816	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)COc1cccc(C#N)c1)C2	ZINC000926183856	995965799	/nfs/dbraw/zinc/96/57/99/995965799.db2.gz	QEQLJZQYNMNBPW-LFGUQSLTSA-N	1	0	357.454	1.533	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1)C2	ZINC000926190619	995969932	/nfs/dbraw/zinc/96/99/32/995969932.db2.gz	SIDFJGSHDNTKKB-RHFVWNJJSA-N	1	0	371.481	1.921	20	30		FDEDRO
C=CCNc1ncc(C(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)s1	ZINC000926195688	995974489	/nfs/dbraw/zinc/97/44/89/995974489.db2.gz	YYPVUUHEMYBZTK-GGKPKWOWSA-N	1	0	364.515	1.951	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1	ZINC000926306047	996043652	/nfs/dbraw/zinc/04/36/52/996043652.db2.gz	IELBSXCNMRKVSZ-MAUKXSAKSA-N	1	0	356.470	1.740	20	30		FDEDRO
C#CC[N@H+](C)CCCN[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21	ZINC000926488934	996173968	/nfs/dbraw/zinc/17/39/68/996173968.db2.gz	COEULJGIMIMQQJ-INIZCTEOSA-N	1	0	373.501	1.819	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC(N)=O)cc1	ZINC000926529856	996199423	/nfs/dbraw/zinc/19/94/23/996199423.db2.gz	BJPLFMGHOQMMFE-MAZHCROVSA-N	1	0	352.456	1.330	20	30		FDEDRO
C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1COC[C@H]1O	ZINC000926535303	996202385	/nfs/dbraw/zinc/20/23/85/996202385.db2.gz	QJIDVHBFDDAVEC-RBSFLKMASA-N	1	0	353.463	1.655	20	30		FDEDRO
CCO[C@@H](CNC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)C[NH+](C)C	ZINC000926835434	996331665	/nfs/dbraw/zinc/33/16/65/996331665.db2.gz	COPHNNRKZNXZSK-ZWKOTPCHSA-N	1	0	360.458	1.608	20	30		FDEDRO
CCO[C@@H](CNC(=O)N1CCN(c2ccc(C#N)cc2)CC1)C[NH+](C)C	ZINC000926849147	996338980	/nfs/dbraw/zinc/33/89/80/996338980.db2.gz	HNLZJFUXFJGZMM-SFHVURJKSA-N	1	0	359.474	1.357	20	30		FDEDRO
C[C@H]([NH2+]CCNc1ccc(C#N)cn1)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000927164439	996474557	/nfs/dbraw/zinc/47/45/57/996474557.db2.gz	JTFMORDTJISGIE-AWEZNQCLSA-N	1	0	373.482	1.966	20	30		FDEDRO
Cn1nccc1[C@]1(O)C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)c1ccc(C#N)cc1	ZINC000887051166	996878637	/nfs/dbraw/zinc/87/86/37/996878637.db2.gz	YFORQDBECFZHGY-RMJJICAUSA-N	1	0	352.438	1.840	20	30		FDEDRO
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cccc(CC#N)n1	ZINC000890302954	997195027	/nfs/dbraw/zinc/19/50/27/997195027.db2.gz	LAIUGMKJJQNLNP-INIZCTEOSA-N	1	0	357.458	1.713	20	30		FDEDRO
CCOCCC[NH+]=C(NCc1ccc(OC)cc1)NCC(C)(C)C(N)=O	ZINC000263939417	997360884	/nfs/dbraw/zinc/36/08/84/997360884.db2.gz	CMIIGFIIIXATCS-UHFFFAOYSA-N	1	0	364.490	1.669	20	30		FDEDRO
C[NH+]=C(NCCCOCc1ccc(OC)cc1)NCCN1CCOCC1	ZINC000265000886	997671744	/nfs/dbraw/zinc/67/17/44/997671744.db2.gz	VUGUEYOLGMTIOF-UHFFFAOYSA-N	1	0	364.490	1.099	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000265412803	997783823	/nfs/dbraw/zinc/78/38/23/997783823.db2.gz	NDJYQTNPVDRCFW-IJYGLTAASA-N	1	0	362.474	1.674	20	30		FDEDRO
Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(OCC#N)cc2)nn1	ZINC001095380447	997989876	/nfs/dbraw/zinc/98/98/76/997989876.db2.gz	HGSNPSVHAGATDL-HFTRVMKXSA-N	1	0	366.425	1.253	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@@H]2Cc3ccccc3O2)CC1	ZINC000104171115	998314122	/nfs/dbraw/zinc/31/41/22/998314122.db2.gz	YXDRQMKXTFOWGV-HNNXBMFYSA-N	1	0	360.458	1.858	20	30		FDEDRO
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000889775127	998644452	/nfs/dbraw/zinc/64/44/52/998644452.db2.gz	LICUVRUQKSVVKZ-IRXDYDNUSA-N	1	0	368.437	1.922	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cc1OC	ZINC000889782529	998655725	/nfs/dbraw/zinc/65/57/25/998655725.db2.gz	RQLVVVGZMMPDRU-IAGOWNOFSA-N	1	0	360.454	1.931	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(CC#N)n1)[NH+]1CCC(C)CC1	ZINC000889793374	998663127	/nfs/dbraw/zinc/66/31/27/998663127.db2.gz	IXUJNKUWBZJXGX-QGZVFWFLSA-N	1	0	371.485	1.959	20	30		FDEDRO
C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)Nc2cccc(CC#N)n2)C1	ZINC000889799869	998669177	/nfs/dbraw/zinc/66/91/77/998669177.db2.gz	ZUAOXICTCGAQKX-HZPDHXFCSA-N	1	0	371.485	1.960	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc(C2CC2)c(C#N)c1	ZINC000890011229	998772206	/nfs/dbraw/zinc/77/22/06/998772206.db2.gz	NBKBDDSZMGNEMM-KZULUSFZSA-N	1	0	352.438	1.973	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1Cc3cncn3C(=O)N1)C2	ZINC001110842635	999018311	/nfs/dbraw/zinc/01/83/11/999018311.db2.gz	JLMHOUFNCQZPOU-BGTYHANMSA-N	1	0	371.485	1.833	20	30		FDEDRO
C=CCN1CC[C@H](N2[C@@H]3CC[C@H]2[C@H](NC(=O)CC(C)(C)COC)C3)C1=O	ZINC001110851252	999036647	/nfs/dbraw/zinc/03/66/47/999036647.db2.gz	QBNSATRXRJVXSH-NCOADZHNSA-N	1	0	363.502	1.558	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2	ZINC001110857917	999054656	/nfs/dbraw/zinc/05/46/56/999054656.db2.gz	WYYDKRLUNHECEL-QRVBRYPASA-N	1	0	361.530	1.870	20	30		FDEDRO
C[C@H]1CN(C(=O)Cc2ccccc2CC#N)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000777408979	999068997	/nfs/dbraw/zinc/06/89/97/999068997.db2.gz	HSGNLFWYHBLGFP-PXNSSMCTSA-N	1	0	354.498	1.780	20	30		FDEDRO
CC(C)C[C@H](NC(=O)Cc1ccccc1CC#N)C(=O)NCC[NH+](C)C	ZINC000777427849	999079808	/nfs/dbraw/zinc/07/98/08/999079808.db2.gz	MEFDIYLKFHMZTA-SFHVURJKSA-N	1	0	358.486	1.504	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3onc(C)c3c1)C2	ZINC001110877489	999100011	/nfs/dbraw/zinc/10/00/11/999100011.db2.gz	UIBRJFUGJUFTCR-OIISXLGYSA-N	1	0	354.410	1.516	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(C)c1-n1cccc1)C2	ZINC001110878414	999101721	/nfs/dbraw/zinc/10/17/21/999101721.db2.gz	PLWAZYRFILTWNS-NXHRZFHOSA-N	1	0	369.469	1.749	20	30		FDEDRO
N#Cc1ccc(OC2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1	ZINC000266517479	999178469	/nfs/dbraw/zinc/17/84/69/999178469.db2.gz	GZSOBVSUTOEJJX-MRXNPFEDSA-N	1	0	371.397	1.567	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)c1C#N	ZINC000266523469	999180127	/nfs/dbraw/zinc/18/01/27/999180127.db2.gz	ASWSGEHMXZCYTB-UHFFFAOYSA-N	1	0	370.453	1.566	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1	ZINC000266646309	999209022	/nfs/dbraw/zinc/20/90/22/999209022.db2.gz	FNUPBGKFSUDSKI-MRXNPFEDSA-N	1	0	373.453	1.371	20	30		FDEDRO
C[C@@H](CNC(=O)CCNC(=O)C1N=CC=CC1=O)[N@H+](C)Cc1ccccc1	ZINC000266829790	999241836	/nfs/dbraw/zinc/24/18/36/999241836.db2.gz	KQUOGUSWUXZBPO-DNTCVELPSA-N	1	0	370.453	1.540	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1	ZINC000266967134	999279279	/nfs/dbraw/zinc/27/92/79/999279279.db2.gz	YLNWHEVSMZACNZ-LSDHHAIUSA-N	1	0	373.457	1.441	20	30		FDEDRO
COc1cccc([C@@H](O)CNC(=[NH2+])NCCc2ccc(OC)c(OC)c2)c1	ZINC000267427037	999332552	/nfs/dbraw/zinc/33/25/52/999332552.db2.gz	LSTLUHCXWYUWCU-KRWDZBQOSA-N	1	0	373.453	1.893	20	30		FDEDRO
CC(C)CNC(=[NH2+])NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N	ZINC000267452612	999340098	/nfs/dbraw/zinc/34/00/98/999340098.db2.gz	RVISBCOYZWKGGM-UHFFFAOYSA-N	1	0	357.437	1.958	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H](CO)Cc2ccc(OC)c(O)c2)CC1	ZINC000268090664	999427468	/nfs/dbraw/zinc/42/74/68/999427468.db2.gz	KLKAXPRAIHFWRU-MRXNPFEDSA-N	1	0	360.454	1.013	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C	ZINC000268236539	999434597	/nfs/dbraw/zinc/43/45/97/999434597.db2.gz	ZWOSKXUNUGIMTE-WBMJQRKESA-N	1	0	359.401	1.375	20	30		FDEDRO
C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(C#N)c3)C2)CC1	ZINC000270076888	999508706	/nfs/dbraw/zinc/50/87/06/999508706.db2.gz	CYMXHEWRWGSEGO-CQSZACIVSA-N	1	0	358.417	1.826	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCc3ccc(C#N)cc32)C[C@H](C)O1	ZINC000270132129	999516724	/nfs/dbraw/zinc/51/67/24/999516724.db2.gz	BRPHNAJLZHJHCR-GASCZTMLSA-N	1	0	370.453	1.063	20	30		FDEDRO
N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCCC[C@@H]([NH+]3CCCC3)C1)CC2	ZINC000270169669	999520863	/nfs/dbraw/zinc/52/08/63/999520863.db2.gz	JUQCOGSOVQGTRH-GOSISDBHSA-N	1	0	366.465	1.924	20	30		FDEDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCCN(c2ccccc2C#N)CC1	ZINC000270983314	999644766	/nfs/dbraw/zinc/64/47/66/999644766.db2.gz	VVSWJWWJXAAWQV-KRWDZBQOSA-N	1	0	356.470	1.565	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)nn1CCC#N	ZINC000271037566	999651353	/nfs/dbraw/zinc/65/13/53/999651353.db2.gz	JJOZKHQRSZGEAK-AWEZNQCLSA-N	1	0	374.489	1.670	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)NCc1ccccc1CN1CC[NH+](CC)CC1	ZINC000283856342	999762570	/nfs/dbraw/zinc/76/25/70/999762570.db2.gz	AZZMDYKGJDICEK-UHFFFAOYSA-N	1	0	358.486	1.085	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCCOC1)C(C)C	ZINC000284030448	999774072	/nfs/dbraw/zinc/77/40/72/999774072.db2.gz	LNSYDFFCPHFUKO-ZWKOTPCHSA-N	1	0	365.518	1.686	20	30		FDEDRO
CC[NH+](CC)[C@H](CNC(=O)C(=O)NCCCCC#N)Cc1ccccc1	ZINC000284660120	999862590	/nfs/dbraw/zinc/86/25/90/999862590.db2.gz	TYLKYJBQBJYIHO-SFHVURJKSA-N	1	0	358.486	1.866	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)NCc1ccccc1CN1CC[NH+](CC)CC1	ZINC000285043867	999897363	/nfs/dbraw/zinc/89/73/63/999897363.db2.gz	SCAHQGKTJDGYGU-UHFFFAOYSA-N	1	0	372.513	1.475	20	30		FDEDRO
COc1cc(OC)c2ncc(C#N)c(NCCN3CC[NH+](C)CC3)c2c1	ZINC000286024884	999931991	/nfs/dbraw/zinc/93/19/91/999931991.db2.gz	GAMBLXBXPSHNMY-UHFFFAOYSA-N	1	0	355.442	1.783	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000286069925	999936109	/nfs/dbraw/zinc/93/61/09/999936109.db2.gz	RVJYBEZTYLAQDI-UYAOXDASSA-N	1	0	354.498	1.016	20	30		FDEDRO
C[C@H]1CCN(C(=O)C(=O)NCCCCC#N)CC[N@@H+]1Cc1ccccc1	ZINC000286382347	999944152	/nfs/dbraw/zinc/94/41/52/999944152.db2.gz	DUJGAYPJPBIORI-KRWDZBQOSA-N	1	0	356.470	1.919	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(C(=O)c2ccc(CC#N)cc2)CC1	ZINC000286434616	999944455	/nfs/dbraw/zinc/94/44/55/999944455.db2.gz	XNWAJVNATMHTMB-UHFFFAOYSA-N	1	0	359.470	1.952	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC2CC(C)(c3ccccc3)C2)CC1	ZINC000286477892	999944637	/nfs/dbraw/zinc/94/46/37/999944637.db2.gz	JBAQTTXRUHDRMK-UHFFFAOYSA-N	1	0	355.482	1.990	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCOC[C@H]2c2ccc(C)o2)CC1	ZINC000286698429	999946563	/nfs/dbraw/zinc/94/65/63/999946563.db2.gz	PUANXQLOIDHPOI-INIZCTEOSA-N	1	0	361.442	1.255	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)NCCn2cnc(C#N)n2)C[N@@H+]1Cc1ccccc1	ZINC000286700692	999946671	/nfs/dbraw/zinc/94/66/71/999946671.db2.gz	DTNGOYGRIOCYSR-ZBFHGGJFSA-N	1	0	353.430	1.112	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[C@](C)(O)c2ccccc2)CC1	ZINC000286797654	999950864	/nfs/dbraw/zinc/95/08/64/999950864.db2.gz	UROLRUOEIZRNIQ-NRFANRHFSA-N	1	0	373.497	1.557	20	30		FDEDRO
C=CCCCCNC(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1	ZINC000288180108	999994392	/nfs/dbraw/zinc/99/43/92/999994392.db2.gz	LGYIECUKERRFKQ-UHFFFAOYSA-N	1	0	373.497	1.732	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H](c3ccncc3)C2)CC1	ZINC000289288840	1000087923	/nfs/dbraw/zinc/08/79/23/1000087923.db2.gz	GYJIZNQDKXOOJV-VQTJNVASSA-N	1	0	369.513	1.953	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C(N)=O)[C@@H](C)c2ccccc2)CC1	ZINC000292262790	1000224583	/nfs/dbraw/zinc/22/45/83/1000224583.db2.gz	KWSUHILULFFFCF-MAUKXSAKSA-N	1	0	358.486	1.984	20	30		FDEDRO
C[C@@H]([NH2+]CCNc1ccc(C#N)cn1)C1CCN(S(C)(=O)=O)CC1	ZINC000927168713	1000664639	/nfs/dbraw/zinc/66/46/39/1000664639.db2.gz	UNUYMJKDNNPCQM-CYBMUJFWSA-N	1	0	351.476	1.015	20	30		FDEDRO
C=CCN1CC(=O)N(Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1=O	ZINC000927614982	1000938192	/nfs/dbraw/zinc/93/81/92/1000938192.db2.gz	GKQPBJMMUOIBPV-UHFFFAOYSA-N	1	0	370.453	1.334	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CCC[C@@H]([C@H](C)[NH3+])C3)cc21	ZINC000927793153	1001051264	/nfs/dbraw/zinc/05/12/64/1001051264.db2.gz	QVIASBXKQXYKND-DZGCQCFKSA-N	1	0	355.442	1.747	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNS(=O)(=O)CC	ZINC001110936446	1001215709	/nfs/dbraw/zinc/21/57/09/1001215709.db2.gz	NXDQYBUWMNJMBC-HZMVEIRTSA-N	1	0	371.547	1.640	20	30		FDEDRO
CC1([NH+]2CCCC2)CCC(NC(=O)CCNC(=O)C2N=CC=CC2=O)CC1	ZINC000928011804	1001288714	/nfs/dbraw/zinc/28/87/14/1001288714.db2.gz	HVQDGQJZVMGJNH-VHEBQXMUSA-N	1	0	374.485	1.816	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CN(C(C)C)CCO1)C2	ZINC001110942676	1001436813	/nfs/dbraw/zinc/43/68/13/1001436813.db2.gz	XTLASIDVJVDFNV-BDXSIMOUSA-N	1	0	351.491	1.020	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H](F)C2CN(C(=O)OC(C)(C)C)C2)CC1	ZINC000928651014	1001608697	/nfs/dbraw/zinc/60/86/97/1001608697.db2.gz	JTPMKUCFPGZDPN-HNNXBMFYSA-N	1	0	353.438	1.405	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Cn2cc(C(=O)OC)c3ccccc32)CC1	ZINC000928658736	1001613756	/nfs/dbraw/zinc/61/37/56/1001613756.db2.gz	OXKXIAVJTDXQRX-UHFFFAOYSA-N	1	0	353.422	1.642	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C2(NC(=O)OCc3ccccc3)CC2)CC1	ZINC000928661383	1001615680	/nfs/dbraw/zinc/61/56/80/1001615680.db2.gz	UJJADWZCDVLFGL-UHFFFAOYSA-N	1	0	355.438	1.659	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cc3ncc(Br)cn3n2)CC1	ZINC000928660620	1001615742	/nfs/dbraw/zinc/61/57/42/1001615742.db2.gz	SEYVLVPCGZOWNP-UHFFFAOYSA-N	1	0	362.231	1.319	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H](CCSC)NC(=O)c2ccco2)CC1	ZINC000928660905	1001615909	/nfs/dbraw/zinc/61/59/09/1001615909.db2.gz	JQPVAQPAKZSFOH-HNNXBMFYSA-N	1	0	363.483	1.345	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccc3c(c2)C(=O)N(CCCC)C3=O)CC1	ZINC000928661556	1001616511	/nfs/dbraw/zinc/61/65/11/1001616511.db2.gz	YJAPFSWBMMHAJK-UHFFFAOYSA-N	1	0	367.449	1.910	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-c3cccnc3)on1)C2	ZINC001110960351	1001750539	/nfs/dbraw/zinc/75/05/39/1001750539.db2.gz	DATYRWUPFHXGCX-NUJGCVRESA-N	1	0	366.421	1.722	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1	ZINC000929172960	1001791867	/nfs/dbraw/zinc/79/18/67/1001791867.db2.gz	LREUPIFBLXSTES-UHFFFAOYSA-N	1	0	362.499	1.959	20	30		FDEDRO
N#Cc1ccnc(N2CC[NH+](C[C@@H](O)CC[C@@H](O)c3ccccc3)CC2)c1	ZINC000929267949	1001881016	/nfs/dbraw/zinc/88/10/16/1001881016.db2.gz	BMFKRUSVDAKTBE-VQTJNVASSA-N	1	0	366.465	1.950	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H](C)CCc1ccc(O)cc1)C1CC[NH+](C)CC1	ZINC000929283552	1001900781	/nfs/dbraw/zinc/90/07/81/1001900781.db2.gz	SKNNZQPFNIOEMS-INIZCTEOSA-N	1	0	371.481	1.386	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C)cc1	ZINC000947964964	1001984705	/nfs/dbraw/zinc/98/47/05/1001984705.db2.gz	MSKDGKBQWPCMAB-ATZDWAIDSA-N	1	0	371.481	1.922	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCCO[C@@H]1CCCC[C@@H]1C)C1CC[NH+](C)CC1	ZINC000929445012	1002065266	/nfs/dbraw/zinc/06/52/66/1002065266.db2.gz	ODBBPBFDOWFAIV-FUHWJXTLSA-N	1	0	363.502	1.254	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)CCC3CCC3)C[C@H]2C)CC1	ZINC000948219223	1002186465	/nfs/dbraw/zinc/18/64/65/1002186465.db2.gz	PKXQCMVULZVTGI-VQIMIIECSA-N	1	0	359.514	1.875	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CCCN(Cc2nnnn2C)CC1	ZINC000948384638	1002287916	/nfs/dbraw/zinc/28/79/16/1002287916.db2.gz	DOCPDIVWZMSVFU-XHSDSOJGSA-N	1	0	362.478	1.004	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H](C)c1cccc(OCC)c1)C1CC[NH+](C)CC1	ZINC000929649413	1002308822	/nfs/dbraw/zinc/30/88/22/1002308822.db2.gz	NUXVWSFRUIIXKN-MRXNPFEDSA-N	1	0	371.481	1.819	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)Cc1cc(C#N)cs1	ZINC000929695181	1002353804	/nfs/dbraw/zinc/35/38/04/1002353804.db2.gz	MCIXQQJHGNUIBM-ZIAGYGMSSA-N	1	0	362.499	1.815	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)C1	ZINC000948458574	1002362982	/nfs/dbraw/zinc/36/29/82/1002362982.db2.gz	XXAHAIJFBKXOGP-RVKKMQEKSA-N	1	0	371.485	1.441	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ccc(C)o2)C[C@H]1C	ZINC000948472237	1002378579	/nfs/dbraw/zinc/37/85/79/1002378579.db2.gz	KGWJUVPVDAEAHQ-OLMNPRSZSA-N	1	0	357.454	1.191	20	30		FDEDRO
C[C@H]1CN(Cc2ccccc2NC(=O)NCC#CC[NH+](C)C)C[C@H](C)O1	ZINC000929770803	1002422159	/nfs/dbraw/zinc/42/21/59/1002422159.db2.gz	YJLXSTQONSEWJE-IRXDYDNUSA-N	1	0	358.486	1.982	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)N(C)Cc1cc(C#N)cs1)[NH+]1CCC(C)CC1	ZINC000929785301	1002436832	/nfs/dbraw/zinc/43/68/32/1002436832.db2.gz	QMWOCKWACVDYRN-AWEZNQCLSA-N	1	0	362.499	1.815	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1C#N	ZINC000929793827	1002450514	/nfs/dbraw/zinc/45/05/14/1002450514.db2.gz	WYSBHFAKZJMSPX-QGZVFWFLSA-N	1	0	356.470	1.720	20	30		FDEDRO
CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CCC[N@H+](CC#Cc2ccccc2)CC1	ZINC000948779949	1002672972	/nfs/dbraw/zinc/67/29/72/1002672972.db2.gz	YBCGLAWZVVZQCF-OTWHNJEPSA-N	1	0	353.466	1.472	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCS[C@@H](C(F)(F)F)C2)CC1	ZINC000930007494	1002730712	/nfs/dbraw/zinc/73/07/12/1002730712.db2.gz	SHWZWBYCKSNEOS-GFCCVEGCSA-N	1	0	365.421	1.259	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CSC[C@]3(C)C2)CC1	ZINC000930009916	1002733378	/nfs/dbraw/zinc/73/33/78/1002733378.db2.gz	ZNTYBDJDKZBBIV-KDOFPFPSSA-N	1	0	351.516	1.355	20	30		FDEDRO
C=CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC000948929724	1002834263	/nfs/dbraw/zinc/83/42/63/1002834263.db2.gz	RNFJCDSFTJHIDH-LSTHTHJFSA-N	1	0	357.498	1.997	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCCc1cc(F)ccc1F)C1CC[NH+](C)CC1	ZINC000930124218	1002846734	/nfs/dbraw/zinc/84/67/34/1002846734.db2.gz	OVAGNFSDLNEICD-UHFFFAOYSA-N	1	0	363.408	1.180	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@H]2C)cn1	ZINC000949017579	1002935056	/nfs/dbraw/zinc/93/50/56/1002935056.db2.gz	MKDVDXJJUNYUCL-ATZDWAIDSA-N	1	0	368.481	1.512	20	30		FDEDRO
C=C(Cl)CN1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCO2	ZINC000949099009	1002988940	/nfs/dbraw/zinc/98/89/40/1002988940.db2.gz	RCFMVUOJSHWAKN-HZPDHXFCSA-N	1	0	355.910	1.773	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1	ZINC000949113392	1003001167	/nfs/dbraw/zinc/00/11/67/1003001167.db2.gz	MNVVPZGRHAJPKP-KSZLIROESA-N	1	0	365.518	1.663	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3c[nH]cc3C)C[C@H]2C)CC1	ZINC000949176864	1003060412	/nfs/dbraw/zinc/06/04/12/1003060412.db2.gz	GVYSKPWBQKDAKG-CRAIPNDOSA-N	1	0	356.470	1.245	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCN2C(=O)CNC2=O)CCC1	ZINC001110987285	1003060834	/nfs/dbraw/zinc/06/08/34/1003060834.db2.gz	MTGBFIOTANTFTI-OAGGEKHMSA-N	1	0	374.485	1.396	20	30		FDEDRO
C#CCN(C(=O)C(=O)NC[C@@H](C)c1ncc(C)s1)C1CC[NH+](C)CC1	ZINC000930375429	1003069033	/nfs/dbraw/zinc/06/90/33/1003069033.db2.gz	XVGCXBFOCBIHDF-CYBMUJFWSA-N	1	0	362.499	1.227	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(CC[NH+](C[C@H]3CCOC3)CC2)C1	ZINC000949193993	1003080648	/nfs/dbraw/zinc/08/06/48/1003080648.db2.gz	GDLROMDESOIZKT-KURKYZTESA-N	1	0	364.486	1.307	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]cn2)C[C@H]1C	ZINC000949436728	1003351986	/nfs/dbraw/zinc/35/19/86/1003351986.db2.gz	YXGGTSZPNYFBEA-BFYDXBDKSA-N	1	0	369.469	1.853	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCOCCN2C(=O)c3ccccc3C2=O)C[C@H](C)N1CC#N	ZINC000930828218	1003555513	/nfs/dbraw/zinc/55/55/13/1003555513.db2.gz	IWAPFQLIWKBTLH-IYBDPMFKSA-N	1	0	370.453	1.217	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3cccc(F)c3)C2)CC1	ZINC000949864670	1003758266	/nfs/dbraw/zinc/75/82/66/1003758266.db2.gz	BHJZWNDQXOCVPJ-DNVCBOLYSA-N	1	0	371.456	1.748	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3cc(C)c(C)o3)C2)CC1	ZINC000949864989	1003759483	/nfs/dbraw/zinc/75/94/83/1003759483.db2.gz	PKCUSDXQYOPLLH-CRAIPNDOSA-N	1	0	371.481	1.818	20	30		FDEDRO
C#CCC[N@@H+](CCOC)C[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)C(=O)O1	ZINC000931071994	1003848406	/nfs/dbraw/zinc/84/84/06/1003848406.db2.gz	WFPJXRFQYKENEL-OAHLLOKOSA-N	1	0	366.458	1.511	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1	ZINC000931103935	1003889791	/nfs/dbraw/zinc/88/97/91/1003889791.db2.gz	RVXQKUIUSOKWHA-INIZCTEOSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000931192609	1003949504	/nfs/dbraw/zinc/94/95/04/1003949504.db2.gz	ZXUUEBWSCRWGNR-JKSUJKDBSA-N	1	0	351.491	1.153	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000966511012	1016840631	/nfs/dbraw/zinc/84/06/31/1016840631.db2.gz	MEAPADUHXBNUKI-HLLBOEOZSA-N	1	0	371.485	1.537	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)Nc1cc(Cl)cc(C(N)=O)c1OC	ZINC000931338189	1004067791	/nfs/dbraw/zinc/06/77/91/1004067791.db2.gz	OJHUFNDAJQQHCP-UHFFFAOYSA-N	1	0	352.822	1.524	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)Nc1cc(CS(C)(=O)=O)ccc1OC	ZINC000931383989	1004101517	/nfs/dbraw/zinc/10/15/17/1004101517.db2.gz	YSFUDQNWZXCWOQ-UHFFFAOYSA-N	1	0	367.471	1.316	20	30		FDEDRO
CNC(=O)c1cccc(NC(=O)NCC#CC[NH+](C)C)c1Br	ZINC000931405551	1004123106	/nfs/dbraw/zinc/12/31/06/1004123106.db2.gz	JCVCHLBDWKXIQB-UHFFFAOYSA-N	1	0	367.247	1.495	20	30		FDEDRO
Cc1oc(NC(=O)[C@H](C)N2CC[NH+](CCCCCO)CC2)c(C#N)c1C	ZINC000931496224	1004215128	/nfs/dbraw/zinc/21/51/28/1004215128.db2.gz	IMLGDVWESBSPQC-HNNXBMFYSA-N	1	0	362.474	1.875	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1	ZINC000931594700	1004298040	/nfs/dbraw/zinc/29/80/40/1004298040.db2.gz	RLLFCIJYZBMHBE-KRWDZBQOSA-N	1	0	372.444	1.790	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)NCc1cc(C#N)ccc1F)C[NH+]1CCCCC1	ZINC000931594802	1004298466	/nfs/dbraw/zinc/29/84/66/1004298466.db2.gz	YOTBBMASXWOHFP-CQSZACIVSA-N	1	0	360.433	1.552	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1	ZINC000947069411	1004329027	/nfs/dbraw/zinc/32/90/27/1004329027.db2.gz	RALTXUAZGIYYBF-SJORKVTESA-N	1	0	363.502	1.559	20	30		FDEDRO
CC[C@H](CO)[NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2	ZINC000931770413	1004482593	/nfs/dbraw/zinc/48/25/93/1004482593.db2.gz	BZBOCLPIIOQIIM-CABCVRRESA-N	1	0	374.485	1.717	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1	ZINC000947073618	1004597793	/nfs/dbraw/zinc/59/77/93/1004597793.db2.gz	XFFNULSDCGDEFC-FGTMMUONSA-N	1	0	363.502	1.415	20	30		FDEDRO
COc1cc(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c(F)cc1C#N	ZINC000931983922	1004670686	/nfs/dbraw/zinc/67/06/86/1004670686.db2.gz	NTZGCEDGTBNEKA-CVEARBPZSA-N	1	0	362.405	1.769	20	30		FDEDRO
N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CC[C@@H](C2OCCO2)C1	ZINC000932002004	1004691254	/nfs/dbraw/zinc/69/12/54/1004691254.db2.gz	IBHZLJDXIONZMN-UKRRQHHQSA-N	1	0	364.405	1.918	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(C(=O)Nc3cnn(Cc4ccc(C#N)cc4)c3)[C@@H]2C1	ZINC000932182989	1004812914	/nfs/dbraw/zinc/81/29/14/1004812914.db2.gz	OHTLRERSJYMAGH-SJLPKXTDSA-N	1	0	350.426	1.971	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(C)c(C#N)c2)[C@H](C)C1	ZINC000932477844	1004980229	/nfs/dbraw/zinc/98/02/29/1004980229.db2.gz	BLAKFKWNOQUTPA-CRAIPNDOSA-N	1	0	356.470	1.672	20	30		FDEDRO
COc1ncc(NC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1C#N	ZINC000932519595	1004998479	/nfs/dbraw/zinc/99/84/79/1004998479.db2.gz	BDIBJIUYJSWWFQ-INIZCTEOSA-N	1	0	358.446	1.206	20	30		FDEDRO
N#CC[C@H](NC(=O)NCCN1CCN(c2ccccc2)CC1)C(F)(F)F	ZINC000932924905	1005247430	/nfs/dbraw/zinc/24/74/30/1005247430.db2.gz	IQLHIXYADRCHRQ-HNNXBMFYSA-N	1	0	369.391	1.952	20	30		FDEDRO
C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCO[C@](C)(C#N)C1	ZINC000933603078	1005587794	/nfs/dbraw/zinc/58/77/94/1005587794.db2.gz	FTWHBMDVJXSSIJ-IMFGXOCKSA-N	1	0	356.470	1.380	20	30		FDEDRO
COC(=O)[C@@H]1C[N@H+](CCO[C@H](C)C#N)CC12CN(C(=O)OC(C)(C)C)C2	ZINC000934051801	1005680820	/nfs/dbraw/zinc/68/08/20/1005680820.db2.gz	FDKICEQMXQZQOQ-KGLIPLIRSA-N	1	0	367.446	1.257	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[NH2+]C2(C(=O)N3CCOCC3)CCCCC2)cc1	ZINC000934058293	1005683267	/nfs/dbraw/zinc/68/32/67/1005683267.db2.gz	XBJOEZCAABWABE-GOSISDBHSA-N	1	0	357.454	1.743	20	30		FDEDRO
N#Cc1ccc(-c2nnc(CN3CC[C@@H]4[C@@H]3CCC[N@H+]4CCO)o2)cc1	ZINC000934263039	1005724883	/nfs/dbraw/zinc/72/48/83/1005724883.db2.gz	MVMFZACURYEXPN-DLBZAZTESA-N	1	0	353.426	1.639	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H]3CCOC34CCOCC4)C2=O)cc1	ZINC000934404371	1005741126	/nfs/dbraw/zinc/74/11/26/1005741126.db2.gz	RFTVSUGRONNTJM-QZTJIDSGSA-N	1	0	355.438	1.981	20	30		FDEDRO
N#CC1(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCSCC1	ZINC000934915559	1005816441	/nfs/dbraw/zinc/81/64/41/1005816441.db2.gz	ZHEWWROUAHEWNO-HZPDHXFCSA-N	1	0	351.516	1.907	20	30		FDEDRO
C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1	ZINC000935399243	1005905019	/nfs/dbraw/zinc/90/50/19/1005905019.db2.gz	HKEPXPQYHIXAQX-KDOFPFPSSA-N	1	0	355.479	1.419	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)NC(=O)NCC)C2	ZINC001111095408	1005913554	/nfs/dbraw/zinc/91/35/54/1005913554.db2.gz	GEYFOOJHIIFRKG-KFWWJZLASA-N	1	0	352.479	1.008	20	30		FDEDRO
C[N@@H+]1CC[C@@]2(CCN(CC(=O)[C@H](C#N)c3nc4ccccc4c(=O)[nH]3)C2)C1	ZINC000795312664	1006043123	/nfs/dbraw/zinc/04/31/23/1006043123.db2.gz	XQIRQGXCWKVORD-MGPUTAFESA-N	1	0	365.437	1.539	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC1CCC1	ZINC001111106943	1006105061	/nfs/dbraw/zinc/10/50/61/1006105061.db2.gz	BTJLHKQCFRZEKX-OWYHZJEWSA-N	1	0	363.502	1.748	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(C(=O)C2(C#N)CCSCC2)CC1	ZINC000935952210	1006168546	/nfs/dbraw/zinc/16/85/46/1006168546.db2.gz	BDHRIBOIHDQVGN-UHFFFAOYSA-N	1	0	369.531	1.609	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@]12CCOc1ccccc12	ZINC001114556644	1006405762	/nfs/dbraw/zinc/40/57/62/1006405762.db2.gz	ZUBJXSXJDOKZMN-WQBAXJEUSA-N	1	0	368.477	1.976	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2	ZINC001111145570	1006442340	/nfs/dbraw/zinc/44/23/40/1006442340.db2.gz	MIBHNQNTNNALJL-AQNXPRMDSA-N	1	0	355.482	1.733	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1	ZINC000954394334	1006691259	/nfs/dbraw/zinc/69/12/59/1006691259.db2.gz	XLBFEJKLUHJRGB-LAQRGFTBSA-N	1	0	363.502	1.367	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CC)CCOCC1)C2	ZINC001111199519	1006830590	/nfs/dbraw/zinc/83/05/90/1006830590.db2.gz	WSAMJPPCDPKGRD-VQHPVUNQSA-N	1	0	361.486	1.053	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH+]2CCC(OCc3ccc(F)cc3)CC2)CC1	ZINC000091885605	1006962041	/nfs/dbraw/zinc/96/20/41/1006962041.db2.gz	NHIKXYUDDUWOFP-UHFFFAOYSA-N	1	0	373.472	1.584	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)Cn2cc(C[C@@H]3CC[NH2+]C3)nn2)c(OC)c1	ZINC000641209577	1007016737	/nfs/dbraw/zinc/01/67/37/1007016737.db2.gz	YUILGPIRBUAXRD-WMZOPIPTSA-N	1	0	372.469	1.607	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1	ZINC000954824769	1007042504	/nfs/dbraw/zinc/04/25/04/1007042504.db2.gz	OVJSIUXAWRMLKB-SJORKVTESA-N	1	0	361.486	1.265	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000641665869	1007086933	/nfs/dbraw/zinc/08/69/33/1007086933.db2.gz	PELHJKFKCFETMH-SFHVURJKSA-N	1	0	373.497	1.778	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1	ZINC001114593494	1007153746	/nfs/dbraw/zinc/15/37/46/1007153746.db2.gz	XLAKZBABXGDOPO-GJGATLCTSA-N	1	0	363.502	1.592	20	30		FDEDRO
CCN(CCC#N)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C1CC1)C1CC1)C2	ZINC001111257953	1007251147	/nfs/dbraw/zinc/25/11/47/1007251147.db2.gz	QBNLNXIOIAAIBP-KURKYZTESA-N	1	0	372.513	1.906	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1	ZINC000955366661	1007393547	/nfs/dbraw/zinc/39/35/47/1007393547.db2.gz	VVERRFSUTUZGOV-NXHRZFHOSA-N	1	0	363.502	1.225	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]c(=O)[nH]c(=O)c1OC)C2	ZINC001111272524	1007459391	/nfs/dbraw/zinc/45/93/91/1007459391.db2.gz	VMHWEEHBLJACQR-LOWDOPEQSA-N	1	0	362.430	1.586	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C	ZINC000956992585	1007463597	/nfs/dbraw/zinc/46/35/97/1007463597.db2.gz	VBCMQXAQKCYZJE-IAGOWNOFSA-N	1	0	370.497	1.879	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@](C)(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nc1	ZINC000957016117	1007543176	/nfs/dbraw/zinc/54/31/76/1007543176.db2.gz	MJJVIJPPULBOTK-YRISNDGFSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C[C@H]3C=CCC3)C[C@H]2C)CC1	ZINC000947428027	1007579332	/nfs/dbraw/zinc/57/93/32/1007579332.db2.gz	ZFATTYTVROFFRY-ZIFCJYIRSA-N	1	0	357.498	1.651	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC(C)(NC(=O)c3ccc(C#N)[nH]3)CC2)CC[N@@H+]1C	ZINC000956340896	1008035421	/nfs/dbraw/zinc/03/54/21/1008035421.db2.gz	OSAPPHVODKRCLR-DOTOQJQBSA-N	1	0	371.485	1.728	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC2(C)CCN(C(=O)c3c[nH]c(C#N)c3)CC2)CC[N@@H+]1C	ZINC000956386543	1008089257	/nfs/dbraw/zinc/08/92/57/1008089257.db2.gz	LQQWWUHJSXMFIS-CZUORRHYSA-N	1	0	357.458	1.337	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)cn1	ZINC000957466508	1008314669	/nfs/dbraw/zinc/31/46/69/1008314669.db2.gz	WNQSOTMAABDCKG-ATZDWAIDSA-N	1	0	368.481	1.512	20	30		FDEDRO
[NH2+]=C(NCCC(=O)N1CCN(c2ccccn2)CC1)N1CCCCCC1	ZINC000305033237	1008562744	/nfs/dbraw/zinc/56/27/44/1008562744.db2.gz	AVAWQHHVTFVIAT-UHFFFAOYSA-N	1	0	358.490	1.311	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C	ZINC000949959096	1008573800	/nfs/dbraw/zinc/57/38/00/1008573800.db2.gz	DTCAASMBAHJZFJ-VMRPVKRXSA-N	1	0	367.493	1.514	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]2C)cc1	ZINC000949959284	1008574293	/nfs/dbraw/zinc/57/42/93/1008574293.db2.gz	HKPDKYJGEXIHQZ-NIKGAXFTSA-N	1	0	353.466	1.585	20	30		FDEDRO
C#CC[NH2+]CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1	ZINC000779327575	1008588884	/nfs/dbraw/zinc/58/88/84/1008588884.db2.gz	JZDJXSVLJCVCIY-AWEZNQCLSA-N	1	0	351.472	1.117	20	30		FDEDRO
CC[N@@H+]1CCN(CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)[C@@H](C)C1	ZINC000796316163	1008673446	/nfs/dbraw/zinc/67/34/46/1008673446.db2.gz	MABMVDZBDJCLIZ-DZGCQCFKSA-N	1	0	353.426	1.538	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)C12CC[NH+](CC1)C2	ZINC000950185746	1008815334	/nfs/dbraw/zinc/81/53/34/1008815334.db2.gz	VXYLQJUDHTVOJR-ULQDDVLXSA-N	1	0	361.486	1.171	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)nnn3C)CC1	ZINC000646583260	1008914876	/nfs/dbraw/zinc/91/48/76/1008914876.db2.gz	NMMCSJBZLRRIHT-UHFFFAOYSA-N	1	0	356.430	1.064	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1	ZINC000950243398	1008941374	/nfs/dbraw/zinc/94/13/74/1008941374.db2.gz	BXRCGJCHQZHJAU-SZVBFZGTSA-N	1	0	371.481	1.922	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)c1	ZINC000958715593	1008986964	/nfs/dbraw/zinc/98/69/64/1008986964.db2.gz	YOZXKZMWTIQWEL-ZWQIFLOQSA-N	1	0	368.481	1.370	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1cc(OC)ccc1OC	ZINC000959858147	1009019785	/nfs/dbraw/zinc/01/97/85/1009019785.db2.gz	PPRWOBUMHWNECG-UNWJWSRZSA-N	1	0	354.450	1.877	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2[C@H]3CN(Cc4cc(F)ccc4C#N)C[C@H]32)C1	ZINC000959938850	1009156559	/nfs/dbraw/zinc/15/65/59/1009156559.db2.gz	HMCNQHKJTTWZRK-HBVDJMOISA-N	1	0	370.428	1.158	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@]23C[C@H]2COC3)cc1	ZINC000959988763	1009263591	/nfs/dbraw/zinc/26/35/91/1009263591.db2.gz	CKGQJVPHUPCUJR-KNRPQUBCSA-N	1	0	353.422	1.172	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1	ZINC000646954925	1009333901	/nfs/dbraw/zinc/33/39/01/1009333901.db2.gz	FWAVFPHTKUMSNN-QFBILLFUSA-N	1	0	371.481	1.748	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)CC1	ZINC000796361156	1009415309	/nfs/dbraw/zinc/41/53/09/1009415309.db2.gz	RXDAAVJWDXPTSZ-QHAWAJNXSA-N	1	0	367.493	1.268	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH+]1CCC(Nc2ccc(C#N)cn2)CC1	ZINC001111321198	1009578435	/nfs/dbraw/zinc/57/84/35/1009578435.db2.gz	BZYLINSBVNUPQQ-MSOLQXFVSA-N	1	0	369.469	1.537	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC000960138043	1009579805	/nfs/dbraw/zinc/57/98/05/1009579805.db2.gz	SKUXZAPRCXMFIV-OTWHNJEPSA-N	1	0	368.481	1.753	20	30		FDEDRO
N#Cc1cc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2C(N)=O)ccc1F	ZINC000960138223	1009579868	/nfs/dbraw/zinc/57/98/68/1009579868.db2.gz	WUCGAPIHAQVLPG-XHSDSOJGSA-N	1	0	358.417	1.289	20	30		FDEDRO
COC(=O)CCCCCCNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000303786396	1009583135	/nfs/dbraw/zinc/58/31/35/1009583135.db2.gz	RIVCOVLIVGHUHG-UHFFFAOYSA-N	1	0	370.494	1.977	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCCCOC[C@H]2CCCO2)CC1	ZINC000303789317	1009584160	/nfs/dbraw/zinc/58/41/60/1009584160.db2.gz	VFVXOYCXYYEASO-OAHLLOKOSA-N	1	0	370.494	1.440	20	30		FDEDRO
N#Cc1ccc(NC2CC[NH+](CCNC(=O)[C@]34C[C@H]3CCC4)CC2)nn1	ZINC001111331035	1009677226	/nfs/dbraw/zinc/67/72/26/1009677226.db2.gz	CUOVUJLTWBQVPT-AUUYWEPGSA-N	1	0	354.458	1.531	20	30		FDEDRO
CCOCCCNC(=[NH2+])NCc1cccc(C(=O)NC[C@H]2CCCO2)c1	ZINC000303902098	1009685279	/nfs/dbraw/zinc/68/52/79/1009685279.db2.gz	XQBIBTHHHZESPP-QGZVFWFLSA-N	1	0	362.474	1.426	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]2C)nc1	ZINC000950987587	1010227210	/nfs/dbraw/zinc/22/72/10/1010227210.db2.gz	CURGESBHASQMTJ-ZTFGCOKTSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)nn1	ZINC000648271532	1010329864	/nfs/dbraw/zinc/32/98/64/1010329864.db2.gz	JRZOZISUINFKEG-KRWDZBQOSA-N	1	0	354.458	1.183	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@H]2C)cn1	ZINC000959653358	1010352615	/nfs/dbraw/zinc/35/26/15/1010352615.db2.gz	PSIGRQVVFPIYCB-IIDMSEBBSA-N	1	0	354.454	1.124	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C)cn1	ZINC000959658846	1010398329	/nfs/dbraw/zinc/39/83/29/1010398329.db2.gz	DCVIJARLKBRNRN-CRAIPNDOSA-N	1	0	368.481	1.372	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1	ZINC000960575978	1010404693	/nfs/dbraw/zinc/40/46/93/1010404693.db2.gz	NCBDJBMOKQBADX-QKLQHJQFSA-N	1	0	363.502	1.369	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1	ZINC000951078618	1010428415	/nfs/dbraw/zinc/42/84/15/1010428415.db2.gz	DNFPVZSDPHKZAG-MANSERQUSA-N	1	0	373.497	1.006	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCCN(C(=O)C#CC2CC2)C3)CC[N@@H+]1C	ZINC000952914693	1012118171	/nfs/dbraw/zinc/11/81/71/1012118171.db2.gz	SOAXPCNVYPTGBN-BLIXFSHQSA-N	1	0	357.498	1.581	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(c3ncc(C#N)cc3F)CC2)CC[N@@H+]1C	ZINC001066797468	1012384764	/nfs/dbraw/zinc/38/47/64/1012384764.db2.gz	FRHFBZLXANKMOW-VNQPRFMTSA-N	1	0	359.449	1.908	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(c3cnc(C#N)cn3)CC2)CC[N@@H+]1C	ZINC001066797408	1012385068	/nfs/dbraw/zinc/38/50/68/1012385068.db2.gz	CSZYDDHXDNOZCO-HYVNUMGLSA-N	1	0	356.474	1.554	20	30		FDEDRO
C=CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1	ZINC000963717451	1012596284	/nfs/dbraw/zinc/59/62/84/1012596284.db2.gz	XKSJMPFWOMCNEI-GMNCBBECSA-N	1	0	365.518	1.411	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1cnn(C)c1)C2	ZINC000963815147	1012729676	/nfs/dbraw/zinc/72/96/76/1012729676.db2.gz	DPRRBTBDTHTVAQ-INFDXNDLSA-N	1	0	358.486	1.918	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1cncn1C)C2	ZINC000963815857	1012731646	/nfs/dbraw/zinc/73/16/46/1012731646.db2.gz	MPNVDRVLRZSEIE-CPNAEUAOSA-N	1	0	358.486	1.918	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC(N(C)C(=O)c3c[nH]c(C#N)c3)CC2)CC[N@@H+]1C	ZINC000953885148	1012731946	/nfs/dbraw/zinc/73/19/46/1012731946.db2.gz	GFLSFDQXYVSZSM-ZWKOTPCHSA-N	1	0	371.485	1.680	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCn1cccn1)C2	ZINC000963815859	1012731931	/nfs/dbraw/zinc/73/19/31/1012731931.db2.gz	MSKJYVIWAQDGKT-INFDXNDLSA-N	1	0	358.486	1.881	20	30		FDEDRO
N#CCOc1ccc(C[NH2+]CC2CC(NC(=O)[C@]34C[C@H]3COC4)C2)cc1	ZINC000961855074	1012948024	/nfs/dbraw/zinc/94/80/24/1012948024.db2.gz	KSNJFTHMAHSAJL-UGZUTAHUSA-N	1	0	355.438	1.610	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000192364184	178111589	/nfs/dbraw/zinc/11/15/89/178111589.db2.gz	HNQKQRGVKLBBGL-GOSISDBHSA-N	1	0	371.485	1.690	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000192586699	178122422	/nfs/dbraw/zinc/12/24/22/178122422.db2.gz	TZOKJNHCVQTSPG-UHFFFAOYSA-N	1	0	363.462	1.138	20	30		FDEDRO
CC(C)[N@@H+]1CCO[C@H](CN2CCN(c3ncc4c(c3C#N)CCC4)CC2)C1	ZINC000516923083	539330129	/nfs/dbraw/zinc/33/01/29/539330129.db2.gz	CFNBXLHGKRBJML-GOSISDBHSA-N	1	0	369.513	1.673	20	30		FDEDRO
C[NH+]1CCC2(CCCN2C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1	ZINC000518292273	539406191	/nfs/dbraw/zinc/40/61/91/539406191.db2.gz	AOVDSVZHJWAONO-UHFFFAOYSA-N	1	0	352.438	1.534	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N(C3CC3)[C@H]3CC[NH2+]C3)C2=O)cc1	ZINC000521986668	539525285	/nfs/dbraw/zinc/52/52/85/539525285.db2.gz	MTVGWICFDUAXOF-ROUUACIJSA-N	1	0	367.453	1.195	20	30		FDEDRO
CC(=O)N1CCN(CCNC(=O)CCCCOc2cccc(C#N)c2)CC1	ZINC000264701297	179173458	/nfs/dbraw/zinc/17/34/58/179173458.db2.gz	DWFZXHZQLMZISA-UHFFFAOYSA-N	1	0	372.469	1.388	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)NCCN3CCSCC3)CC2)cc1	ZINC000264823774	179211940	/nfs/dbraw/zinc/21/19/40/179211940.db2.gz	CZPYTBUBRMYRAP-UHFFFAOYSA-N	1	0	373.526	1.434	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2cc(C#N)ccc2OC)CC1	ZINC000265446652	179379391	/nfs/dbraw/zinc/37/93/91/179379391.db2.gz	BCROEZFPXJPQRX-HNNXBMFYSA-N	1	0	359.474	1.962	20	30		FDEDRO
CCCc1c(NC(=O)NC[C@@H]2COCC[NH2+]2)cnn1-c1cccc(C#N)c1	ZINC000528691920	539773191	/nfs/dbraw/zinc/77/31/91/539773191.db2.gz	XEILUAJSEJTGIJ-OAHLLOKOSA-N	1	0	368.441	1.806	20	30		FDEDRO
CCOC(=O)CNC(=O)C1CC[NH+](CCCOc2cccc(C#N)c2)CC1	ZINC000269679764	180359627	/nfs/dbraw/zinc/35/96/27/180359627.db2.gz	SXMDNZAJEDJUBT-UHFFFAOYSA-N	1	0	373.453	1.718	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1	ZINC000270211408	180460147	/nfs/dbraw/zinc/46/01/47/180460147.db2.gz	IWCCBTDWDYTLFS-KRWDZBQOSA-N	1	0	354.454	1.996	20	30		FDEDRO
N#Cc1cc(CN2CCOCC2)cn(Cc2cc(CO)ccc2F)c1=O	ZINC000530109455	539887406	/nfs/dbraw/zinc/88/74/06/539887406.db2.gz	NAEHPKFKSCSDSG-UHFFFAOYSA-N	1	0	357.385	1.232	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CC(=O)N(C2CCCCC2)C1	ZINC000530232120	539915258	/nfs/dbraw/zinc/91/52/58/539915258.db2.gz	NJFVDIYQCHNGJV-AEFFLSMTSA-N	1	0	357.454	1.821	20	30		FDEDRO
CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)C1	ZINC000530230904	539915270	/nfs/dbraw/zinc/91/52/70/539915270.db2.gz	DISFGWSTNVXKQL-CJOFEGAYSA-N	1	0	350.484	1.967	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O	ZINC000530231764	539915343	/nfs/dbraw/zinc/91/53/43/539915343.db2.gz	MAUVUYSMISAOOJ-ZIAGYGMSSA-N	1	0	371.359	1.441	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C(=O)NCC(F)(F)F)CC1	ZINC000530338119	539944750	/nfs/dbraw/zinc/94/47/50/539944750.db2.gz	UHDAQRIKLKDTEG-LLVKDONJSA-N	1	0	360.380	1.328	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)c1C#N	ZINC000530513779	539989256	/nfs/dbraw/zinc/98/92/56/539989256.db2.gz	RYECEONKQCXVDI-DLBZAZTESA-N	1	0	371.489	1.059	20	30		FDEDRO
CS[C@@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)C[C@@H]1[NH+]1CCCC1	ZINC000274041841	181016546	/nfs/dbraw/zinc/01/65/46/181016546.db2.gz	NGLFGFYDYGLDAN-YTQUADARSA-N	1	0	361.511	1.810	20	30		FDEDRO
CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000274065034	181019894	/nfs/dbraw/zinc/01/98/94/181019894.db2.gz	QSWQVWFQRYGQII-KGLIPLIRSA-N	1	0	369.425	1.860	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@H]3C[N@H+](C4CC4)C[C@@H]3C)cc2C1=O	ZINC000531823560	540119340	/nfs/dbraw/zinc/11/93/40/540119340.db2.gz	ISIJUTGZACTIAX-SJCJKPOMSA-N	1	0	353.422	1.681	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCCCC[NH+]2CCC(C)CC2)n(CCC#N)n1	ZINC000532601011	540176299	/nfs/dbraw/zinc/17/62/99/540176299.db2.gz	CFSFPFYHXRHTAB-UHFFFAOYSA-N	1	0	374.489	1.672	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1	ZINC000533034435	540196169	/nfs/dbraw/zinc/19/61/69/540196169.db2.gz	OUHLURYONLEVKE-MSOLQXFVSA-N	1	0	359.470	1.644	20	30		FDEDRO
CCC[N@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1CCS(=O)(=O)C1	ZINC000533244196	540219662	/nfs/dbraw/zinc/21/96/62/540219662.db2.gz	SXFNGWOHKHDGMI-CYBMUJFWSA-N	1	0	355.485	1.847	20	30		FDEDRO
Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]C[C@@H](O)COc1ccc(C#N)cc1	ZINC000275211983	181262166	/nfs/dbraw/zinc/26/21/66/181262166.db2.gz	ATDDDBAUZWOCEB-KPFFTGBYSA-N	1	0	370.453	1.768	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)n(CCC#N)n1	ZINC000533319903	540231688	/nfs/dbraw/zinc/23/16/88/540231688.db2.gz	XFFYHUYIUJHAJH-HNNXBMFYSA-N	1	0	360.462	1.280	20	30		FDEDRO
Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000535545947	540481895	/nfs/dbraw/zinc/48/18/95/540481895.db2.gz	PCMZAAWCAHNEPS-UHFFFAOYSA-N	1	0	371.401	1.583	20	30		FDEDRO
COC(=O)c1cccc(CN2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1C#N	ZINC000535962800	540532582	/nfs/dbraw/zinc/53/25/82/540532582.db2.gz	GFVSNAGLEHYFFH-SFHVURJKSA-N	1	0	370.497	1.945	20	30		FDEDRO
CC[C@@H]([NH2+]CC(=O)NCC#N)c1ccccc1OCC(=O)N1CCCC1	ZINC000537049720	540678891	/nfs/dbraw/zinc/67/88/91/540678891.db2.gz	PEAYXQUKGDVFGF-MRXNPFEDSA-N	1	0	358.442	1.368	20	30		FDEDRO
C=CC[C@H](CO)CNC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1	ZINC000537085320	540683361	/nfs/dbraw/zinc/68/33/61/540683361.db2.gz	VAQQRNYJPBNJPS-AZUAARDMSA-N	1	0	374.529	1.849	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[NH2+][C@@H](C(=O)N1CCOCC1)C(C)C	ZINC000537157007	540693662	/nfs/dbraw/zinc/69/36/62/540693662.db2.gz	JCJPEGKHEVNQRU-GOSISDBHSA-N	1	0	361.442	1.419	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)c1cnc2c(c1)NC(=O)CO2)C(C)C	ZINC000537739913	540768789	/nfs/dbraw/zinc/76/87/89/540768789.db2.gz	VARVCAFFWHCTTA-MRXNPFEDSA-N	1	0	358.442	1.841	20	30		FDEDRO
CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000275394730	181307614	/nfs/dbraw/zinc/30/76/14/181307614.db2.gz	HCXOLAJOIFAALX-QGZVFWFLSA-N	1	0	354.454	1.780	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000538277353	540836242	/nfs/dbraw/zinc/83/62/42/540836242.db2.gz	SDDPTSKNEMHMSI-GFCCVEGCSA-N	1	0	358.261	1.693	20	30		FDEDRO
CC[NH+]1CCN(c2ccccc2NC(=O)[C@H](C)n2cnc(C#N)n2)CC1	ZINC000539505948	540967969	/nfs/dbraw/zinc/96/79/69/540967969.db2.gz	OUGACFULJFRRIM-AWEZNQCLSA-N	1	0	353.430	1.491	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001087198735	781937139	/nfs/dbraw/zinc/93/71/39/781937139.db2.gz	YHZALHDLQHXIBV-FHLIZLRMSA-N	1	0	369.469	1.299	20	30		FDEDRO
C[C@@H]1[C@H](C)[N@H+](C)CCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000540053120	541023164	/nfs/dbraw/zinc/02/31/64/541023164.db2.gz	RIHVZDIJFOWHAX-LSDHHAIUSA-N	1	0	352.442	1.707	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NCCC[NH+]1CCC(C(=O)OC)CC1	ZINC000540871138	541104553	/nfs/dbraw/zinc/10/45/53/541104553.db2.gz	GLCUZVDQEAJBFY-UHFFFAOYSA-N	1	0	361.442	1.651	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1cc(C)c(=O)n(C)c1)C(C)C	ZINC000541956748	541307281	/nfs/dbraw/zinc/30/72/81/541307281.db2.gz	ABWNGXBMBPUBSX-QGZVFWFLSA-N	1	0	374.485	1.447	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC[C@H](c1ccccc1)[NH+](C)C	ZINC000542825498	541479715	/nfs/dbraw/zinc/47/97/15/541479715.db2.gz	OSTATAFPHOPAPA-QGZVFWFLSA-N	1	0	369.473	1.740	20	30		FDEDRO
C[N@H+](CC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCSC1	ZINC000543743886	541650755	/nfs/dbraw/zinc/65/07/55/541650755.db2.gz	NESPAKDRSTUDCA-DLBZAZTESA-N	1	0	372.494	1.607	20	30		FDEDRO
N#CC1(NC(=O)c2cccc(C(N)=O)n2)CC[NH+](Cc2ccccc2)CC1	ZINC000543810598	541666172	/nfs/dbraw/zinc/66/61/72/541666172.db2.gz	TVBKDBQGRJRPSH-UHFFFAOYSA-N	1	0	363.421	1.469	20	30		FDEDRO
N#Cc1cc(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)ccc1Cl	ZINC000544238670	541737693	/nfs/dbraw/zinc/73/76/93/541737693.db2.gz	MHOUWZWIJYTNBC-UHFFFAOYSA-N	1	0	363.845	1.511	20	30		FDEDRO
N#Cc1cccc(OCC[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)c1	ZINC000282415515	182008051	/nfs/dbraw/zinc/00/80/51/182008051.db2.gz	CLMCUTDSSPIYFP-UHFFFAOYSA-N	1	0	363.483	1.827	20	30		FDEDRO
N#Cc1ccc(CNC(=O)CN2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1	ZINC000282424878	182009366	/nfs/dbraw/zinc/00/93/66/182009366.db2.gz	YVGCPKZIDQJBAY-IBGZPJMESA-N	1	0	356.470	1.219	20	30		FDEDRO
COCCCn1nccc1C[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000282784113	182055923	/nfs/dbraw/zinc/05/59/23/182055923.db2.gz	XWWOAUTUKYKVEE-IBGZPJMESA-N	1	0	367.453	1.682	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1	ZINC000545211912	541905911	/nfs/dbraw/zinc/90/59/11/541905911.db2.gz	QQJYROWAECSXAB-MRXNPFEDSA-N	1	0	363.483	1.919	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1	ZINC000545294392	541927438	/nfs/dbraw/zinc/92/74/38/541927438.db2.gz	HQFCBQBAIMWOHF-UHFFFAOYSA-N	1	0	370.453	1.840	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)c1ccc(C#N)cc1	ZINC000284096550	182364201	/nfs/dbraw/zinc/36/42/01/182364201.db2.gz	TULNOLJUMNODGO-CQSZACIVSA-N	1	0	354.454	1.726	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ccc(C#N)cc3OC)C2)CC1	ZINC000546002758	542071528	/nfs/dbraw/zinc/07/15/28/542071528.db2.gz	CEANCWQHDSDJMO-MRXNPFEDSA-N	1	0	357.458	1.811	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(C#N)o1	ZINC000286646377	183118706	/nfs/dbraw/zinc/11/87/06/183118706.db2.gz	NZPKDZUPBIZYMJ-UHFFFAOYSA-N	1	0	358.423	1.775	20	30		FDEDRO
Cc1nn(C)cc1S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000286617124	183110659	/nfs/dbraw/zinc/11/06/59/183110659.db2.gz	MITFHCVWLQYTEL-UHFFFAOYSA-N	1	0	361.471	1.353	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000546709899	542206139	/nfs/dbraw/zinc/20/61/39/542206139.db2.gz	WENGFVBBHXVUOJ-UHFFFAOYSA-N	1	0	371.441	1.339	20	30		FDEDRO
C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(C#N)cc1F	ZINC000546733996	542212389	/nfs/dbraw/zinc/21/23/89/542212389.db2.gz	ZEDUGQJBQAIHPT-ZDUSSCGKSA-N	1	0	354.451	1.002	20	30		FDEDRO
C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(C#N)cc1F	ZINC000546733995	542212717	/nfs/dbraw/zinc/21/27/17/542212717.db2.gz	ZEDUGQJBQAIHPT-CYBMUJFWSA-N	1	0	354.451	1.002	20	30		FDEDRO
CSC[C@H](C)NC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000287673291	183352948	/nfs/dbraw/zinc/35/29/48/183352948.db2.gz	BTNFPKUVXXJXIO-HNNXBMFYSA-N	1	0	374.510	1.460	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cn1)[C@@H](c1ccccc1)[NH+](C)C	ZINC000294864887	184014853	/nfs/dbraw/zinc/01/48/53/184014853.db2.gz	TYRMLQOUSZSNIG-DYVFJYSZSA-N	1	0	351.410	1.699	20	30		FDEDRO
N#Cc1cc(Br)cnc1NCCC[N@H+]1CCC[C@H]1C(N)=O	ZINC000297302155	184255667	/nfs/dbraw/zinc/25/56/67/184255667.db2.gz	YOPJFZJKCHJUSG-LBPRGKRZSA-N	1	0	352.236	1.467	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1	ZINC000297756746	184323389	/nfs/dbraw/zinc/32/33/89/184323389.db2.gz	HWYIFUCTJJYKFB-ZWKOTPCHSA-N	1	0	354.454	1.459	20	30		FDEDRO
C[N@@H+]1CC[C@@](O)(CNC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1	ZINC000547296683	542303802	/nfs/dbraw/zinc/30/38/02/542303802.db2.gz	LSZLDXFYUWEFKD-LADRWXRNSA-N	1	0	373.457	1.009	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21	ZINC000547312216	542309371	/nfs/dbraw/zinc/30/93/71/542309371.db2.gz	CBEVZZLKJMTQGI-JKSUJKDBSA-N	1	0	365.441	2.005	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C	ZINC000547318625	542310857	/nfs/dbraw/zinc/31/08/57/542310857.db2.gz	CBIICSJILLBNED-UONOGXRCSA-N	1	0	353.430	2.004	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1	ZINC000547417534	542336147	/nfs/dbraw/zinc/33/61/47/542336147.db2.gz	QXRCHAGJLFFCMQ-CQSZACIVSA-N	1	0	356.426	1.638	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](CC)C2)c1	ZINC000547439236	542339946	/nfs/dbraw/zinc/33/99/46/542339946.db2.gz	LLJNZBIHVOFTMO-OAHLLOKOSA-N	1	0	365.499	1.613	20	30		FDEDRO
C[C@@H]1C[C@H](C)[N@H+]1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000547769492	542441845	/nfs/dbraw/zinc/44/18/45/542441845.db2.gz	DIPYAAGPEIIHBO-OKILXGFUSA-N	1	0	369.425	1.938	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1	ZINC000072015414	221396315	/nfs/dbraw/zinc/39/63/15/221396315.db2.gz	JFHFLIFHLCCZQO-UHFFFAOYSA-N	1	0	366.465	1.838	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccc1F)S(=O)(=O)c1ccc(C#N)nc1	ZINC000170666248	258264919	/nfs/dbraw/zinc/26/49/19/258264919.db2.gz	XWXGPFWTHOKOTP-UHFFFAOYSA-N	1	0	362.430	1.845	20	30		FDEDRO
C[NH+](C)CCNC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1	ZINC000172301262	258273059	/nfs/dbraw/zinc/27/30/59/258273059.db2.gz	KRUJYXZYDVWPAS-UHFFFAOYSA-N	1	0	366.421	1.754	20	30		FDEDRO
C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000549260601	542859658	/nfs/dbraw/zinc/85/96/58/542859658.db2.gz	GZPGQVNPNHPLAC-IRXDYDNUSA-N	1	0	361.490	1.517	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCCN(c3ncccn3)C2)cc1	ZINC000549154009	542845047	/nfs/dbraw/zinc/84/50/47/542845047.db2.gz	RQWKMNWGNZXPLZ-DLBZAZTESA-N	1	0	353.426	1.347	20	30		FDEDRO
Cn1nccc1COCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000550392821	543089953	/nfs/dbraw/zinc/08/99/53/543089953.db2.gz	LBHNKGIAPDAOPB-UHFFFAOYSA-N	1	0	367.453	1.611	20	30		FDEDRO
C=CCCCNC(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000551058281	543226333	/nfs/dbraw/zinc/22/63/33/543226333.db2.gz	ICTFANIYVMGNEZ-SFHVURJKSA-N	1	0	358.486	1.174	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@H](C)O[C@@H](CC)C1)C(C)C	ZINC000551219113	543254111	/nfs/dbraw/zinc/25/41/11/543254111.db2.gz	QMEVPJHZVBWYJC-OKZBNKHCSA-N	1	0	365.518	1.827	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1	ZINC000551371426	543275902	/nfs/dbraw/zinc/27/59/02/543275902.db2.gz	VJXMCJBJWWXSQU-CKEIUWERSA-N	1	0	370.453	1.694	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000551604815	543309884	/nfs/dbraw/zinc/30/98/84/543309884.db2.gz	OAMXFUQMRYRGBV-HXUWFJFHSA-N	1	0	350.422	1.629	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CCC(=O)N1CCCc2ccccc21	ZINC000551901219	543371062	/nfs/dbraw/zinc/37/10/62/543371062.db2.gz	XTADMELVEVGZKT-UHFFFAOYSA-N	1	0	366.469	2.097	20	30		FDEDRO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C	ZINC000552310707	543449866	/nfs/dbraw/zinc/44/98/66/543449866.db2.gz	GYAZYHRQDPBBKG-WMLDXEAASA-N	1	0	360.458	1.144	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1	ZINC000552781936	543517556	/nfs/dbraw/zinc/51/75/56/543517556.db2.gz	IQIGAUFXVQRFTB-MYBQVCMBSA-N	1	0	351.491	1.320	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)Nc1c(C#N)cnc2c(F)c(F)c(F)cc21	ZINC000553074455	543562715	/nfs/dbraw/zinc/56/27/15/543562715.db2.gz	IXWYCDAKGFFEQU-LLVKDONJSA-N	1	0	363.387	1.993	20	30		FDEDRO
CCN(C1CC[NH+](CCOc2ccccc2C#N)CC1)S(C)(=O)=O	ZINC000066883481	172001375	/nfs/dbraw/zinc/00/13/75/172001375.db2.gz	RWLRSAIAJCNAMU-UHFFFAOYSA-N	1	0	351.472	1.683	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NCC[NH+]2CCCCC2)c1	ZINC000076587121	172112575	/nfs/dbraw/zinc/11/25/75/172112575.db2.gz	AYBZHSMROZJZNO-UHFFFAOYSA-N	1	0	366.368	1.700	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)CCOCC1	ZINC000088776447	172237167	/nfs/dbraw/zinc/23/71/67/172237167.db2.gz	ARQTVUAURUBQNV-UHFFFAOYSA-N	1	0	364.833	1.377	20	30		FDEDRO
Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2cnc3ccc(C#N)cn23)C1	ZINC000092010962	172292458	/nfs/dbraw/zinc/29/24/58/172292458.db2.gz	YRRNOEPGPGIOMR-MAUKXSAKSA-N	1	0	350.426	1.885	20	30		FDEDRO
COCCn1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1	ZINC000101757265	172341499	/nfs/dbraw/zinc/34/14/99/172341499.db2.gz	ODFLGKHMPUBMLV-UHFFFAOYSA-N	1	0	370.457	1.997	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[N@@H+]2CCCN(C(=O)c3ccncc3)CC2)cc1	ZINC000127091134	173064888	/nfs/dbraw/zinc/06/48/88/173064888.db2.gz	NEPNVLFYPMPMRC-IBGZPJMESA-N	1	0	350.422	1.835	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N2CCCN(c3ncccc3C#N)CC2)C[N@@H+]1C1CC1	ZINC000129987653	173157044	/nfs/dbraw/zinc/15/70/44/173157044.db2.gz	RVBKOWTYSYRAMP-WBVHZDCISA-N	1	0	368.485	1.800	20	30		FDEDRO
CCCNc1ccc(C#N)cc1NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1	ZINC000131595378	173208669	/nfs/dbraw/zinc/20/86/69/173208669.db2.gz	HXCKPDFFKCIWGK-HNNXBMFYSA-N	1	0	357.458	1.729	20	30		FDEDRO
C[C@H](Oc1ccc(C#N)cc1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000136846887	173365744	/nfs/dbraw/zinc/36/57/44/173365744.db2.gz	AOCJXNWZMGHEGF-DOTOQJQBSA-N	1	0	357.454	1.943	20	30		FDEDRO
COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H](C)C(N)=O	ZINC000155635412	173553927	/nfs/dbraw/zinc/55/39/27/173553927.db2.gz	HKUKTCRYLYLNLQ-NSHDSACASA-N	1	0	364.471	1.259	20	30		FDEDRO
CC(C)OCC[NH+]1CCC(NS(=O)(=O)Cc2cccc(C#N)c2)CC1	ZINC000175451996	174007216	/nfs/dbraw/zinc/00/72/16/174007216.db2.gz	GOBYZCYBSWUJNI-UHFFFAOYSA-N	1	0	365.499	1.867	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1	ZINC000178437758	174188198	/nfs/dbraw/zinc/18/81/98/174188198.db2.gz	BSSMWBULKPBKCX-UHFFFAOYSA-N	1	0	370.453	1.376	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N(C)CCN(C)C1CC[NH+](C)CC1	ZINC000181064472	174204768	/nfs/dbraw/zinc/20/47/68/174204768.db2.gz	WCCVYDJMKASYHW-UHFFFAOYSA-N	1	0	364.515	1.513	20	30		FDEDRO
C[N@@H+]1CC[C@@H](NC(=O)CNC(=O)c2ccc(C#N)cc2)[C@@H]1c1ccccc1	ZINC000179221364	258346456	/nfs/dbraw/zinc/34/64/56/258346456.db2.gz	WNCKXKBNWQADPV-QUCCMNQESA-N	1	0	362.433	1.850	20	30		FDEDRO
N#Cc1cccnc1-n1cc(NC(=O)N2CC[NH+](CC3CC3)CC2)cn1	ZINC000184621761	258382707	/nfs/dbraw/zinc/38/27/07/258382707.db2.gz	UBXBVLOSCJLUOU-UHFFFAOYSA-N	1	0	351.414	1.698	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1	ZINC000553712074	543686328	/nfs/dbraw/zinc/68/63/28/543686328.db2.gz	PVCHEZBFGWJQAB-ZACQAIPSSA-N	1	0	361.486	1.217	20	30		FDEDRO
C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)C[C@@H](C)C1	ZINC000553767282	543693370	/nfs/dbraw/zinc/69/33/70/543693370.db2.gz	BXSGFXPKNJEKRX-HDMKZQKVSA-N	1	0	354.454	1.477	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)c1ccc(F)cc1	ZINC000555872823	544044667	/nfs/dbraw/zinc/04/46/67/544044667.db2.gz	NOCKQUXDJYCAOE-OAHLLOKOSA-N	1	0	355.373	1.450	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1	ZINC000556058283	544083792	/nfs/dbraw/zinc/08/37/92/544083792.db2.gz	CBZFNCATDKGARB-QGZVFWFLSA-N	1	0	353.507	1.520	20	30		FDEDRO
N#Cc1ccsc1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC000556160208	544108161	/nfs/dbraw/zinc/10/81/61/544108161.db2.gz	ZBGAFXUVFLDYDO-KBPBESRZSA-N	1	0	362.455	1.052	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N(C)[C@H]1CCSC1)C(C)C	ZINC000556206617	544117614	/nfs/dbraw/zinc/11/76/14/544117614.db2.gz	MBAOQLQSTPHTSP-JKSUJKDBSA-N	1	0	353.532	1.765	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N[C@@H](C[NH+](C)C)c1ccc(OC)cc1	ZINC000556407221	544141190	/nfs/dbraw/zinc/14/11/90/544141190.db2.gz	JCTORVAHTNGSNF-INIZCTEOSA-N	1	0	354.476	1.368	20	30		FDEDRO
CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3cc(C#N)cc(N(C)C)c3)C2)CC1	ZINC000556623283	544163703	/nfs/dbraw/zinc/16/37/03/544163703.db2.gz	IABLAVCBFYSGIW-IBGZPJMESA-N	1	0	369.513	1.865	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCc2cccc(C#N)c2)CC1	ZINC000558088345	544382651	/nfs/dbraw/zinc/38/26/51/544382651.db2.gz	NUKKCBBSJDCYQQ-KRWDZBQOSA-N	1	0	357.502	1.674	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1	ZINC000558455465	544436847	/nfs/dbraw/zinc/43/68/47/544436847.db2.gz	NTGPCRUMCLONGO-ROUUACIJSA-N	1	0	364.534	1.474	20	30		FDEDRO
C=CCNC(=O)CN1CCN(c2nnc(C3CCC3)n2CC(C)C)CC1	ZINC000559090511	544587977	/nfs/dbraw/zinc/58/79/77/544587977.db2.gz	DKGDTZVLFRABLZ-UHFFFAOYSA-N	1	0	360.506	1.626	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C(C)C)C2(CO)CCC2)CC1	ZINC000559439644	544685291	/nfs/dbraw/zinc/68/52/91/544685291.db2.gz	ZNOHTOLCPGYLKH-HKUYNNGSSA-N	1	0	364.534	1.456	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)NCC(=O)NCC[NH+]1CCCCCC1	ZINC000559469907	544698811	/nfs/dbraw/zinc/69/88/11/544698811.db2.gz	FDBAJGGWUHMDIX-UHFFFAOYSA-N	1	0	357.458	1.980	20	30		FDEDRO
CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000559628358	544748756	/nfs/dbraw/zinc/74/87/56/544748756.db2.gz	DLLTUYSHTZGGPY-UHFFFAOYSA-N	1	0	367.247	1.716	20	30		FDEDRO
C[NH+](C)Cc1ccc(S(=O)(=O)NCC(=O)c2ccc(C#N)cc2)cc1	ZINC000560060541	544879562	/nfs/dbraw/zinc/87/95/62/544879562.db2.gz	QBBVRGBZQSSTQQ-UHFFFAOYSA-N	1	0	357.435	1.781	20	30		FDEDRO
N#Cc1ccc(N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cn1	ZINC000301540265	259029067	/nfs/dbraw/zinc/02/90/67/259029067.db2.gz	VFNFUGFHRUBWQS-KRWDZBQOSA-N	1	0	365.441	1.661	20	30		FDEDRO
N#Cc1c(CN2CCC[C@](O)(C(=O)N3CCCC3)C2)cn2ccccc12	ZINC000329103801	259077456	/nfs/dbraw/zinc/07/74/56/259077456.db2.gz	DJLNVNGNAPLUTP-HXUWFJFHSA-N	1	0	352.438	1.760	20	30		FDEDRO
C[N@H+](CCC(=O)Nc1cccc(C#N)c1)C1CCN(S(C)(=O)=O)CC1	ZINC000330950669	259170720	/nfs/dbraw/zinc/17/07/20/259170720.db2.gz	KHAAVRSHNBZCBP-UHFFFAOYSA-N	1	0	364.471	1.243	20	30		FDEDRO
Cc1cc(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c(C#N)cc1N(C)C	ZINC000331249389	259183190	/nfs/dbraw/zinc/18/31/90/259183190.db2.gz	YENWUSYLILCKLQ-GJZGRUSLSA-N	1	0	359.474	1.852	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1	ZINC000331757809	259217904	/nfs/dbraw/zinc/21/79/04/259217904.db2.gz	APOKTSIWAZRXOZ-MRXNPFEDSA-N	1	0	355.442	1.542	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)c1	ZINC000331811245	259221450	/nfs/dbraw/zinc/22/14/50/259221450.db2.gz	MINSLUOMLHHYDS-SMDDNHRTSA-N	1	0	370.272	1.693	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N1CCCO[C@@H](C[NH3+])C1	ZINC000332241276	259251837	/nfs/dbraw/zinc/25/18/37/259251837.db2.gz	VBZBQYFNVIIQFL-JTQLQIEISA-N	1	0	374.260	1.059	20	30		FDEDRO
C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000332285657	259254766	/nfs/dbraw/zinc/25/47/66/259254766.db2.gz	IECXVEUOQGLKMU-GUYCJALGSA-N	1	0	352.442	1.738	20	30		FDEDRO
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1	ZINC000332409587	259264499	/nfs/dbraw/zinc/26/44/99/259264499.db2.gz	ZQTQTZGACVIROX-OXQOHEQNSA-N	1	0	370.497	1.873	20	30		FDEDRO
N#Cc1ccc(NC(=O)N2CCC[C@H](N3CCNCC3=O)C2)cc1Cl	ZINC000333190640	259321053	/nfs/dbraw/zinc/32/10/53/259321053.db2.gz	UYDNCWDYGKGEIJ-AWEZNQCLSA-N	1	0	361.833	1.640	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1C#N	ZINC000333732421	259375522	/nfs/dbraw/zinc/37/55/22/259375522.db2.gz	WIHJGHIDLMCTTK-FUHWJXTLSA-N	1	0	363.483	1.774	20	30		FDEDRO
N#Cc1cnc2ccccc2c1N1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1	ZINC000333833020	259385539	/nfs/dbraw/zinc/38/55/39/259385539.db2.gz	MWFBTNGXQKVQRQ-VQFNDLOPSA-N	1	0	362.437	1.156	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)cc1Br	ZINC000333847103	259386713	/nfs/dbraw/zinc/38/67/13/259386713.db2.gz	MOSWULZNJVQSHR-LLVKDONJSA-N	1	0	358.261	1.741	20	30		FDEDRO
N#Cc1ccccc1N1CCCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1	ZINC000333844349	259387044	/nfs/dbraw/zinc/38/70/44/259387044.db2.gz	OWOCUBXMORTFOM-KRWDZBQOSA-N	1	0	357.458	1.158	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)C[C@@H]3CC[N@H+](C)C3)C2)n1	ZINC000362880573	259508846	/nfs/dbraw/zinc/50/88/46/259508846.db2.gz	LSDTZXHYDDCSIN-SJLPKXTDSA-N	1	0	355.486	1.888	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)C2=O)cc1	ZINC000364980912	259802347	/nfs/dbraw/zinc/80/23/47/259802347.db2.gz	MGNNILCHNCILNZ-HSALFYBXSA-N	1	0	368.481	1.585	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc1	ZINC000367318164	260024997	/nfs/dbraw/zinc/02/49/97/260024997.db2.gz	PNJJAGBHMOEXHL-FUHWJXTLSA-N	1	0	374.510	1.676	20	30		FDEDRO
CC(C)N1CCO[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000368455502	260185603	/nfs/dbraw/zinc/18/56/03/260185603.db2.gz	QLOZSMZCCZLPFX-LJQANCHMSA-N	1	0	358.486	1.558	20	30		FDEDRO
COC(=O)c1cn([C@@H]2CC[N@H+](CCC(=O)Nc3ccccc3C#N)C2)nn1	ZINC000368854058	260248354	/nfs/dbraw/zinc/24/83/54/260248354.db2.gz	MGDIAUHTCRGURU-CQSZACIVSA-N	1	0	368.397	1.212	20	30		FDEDRO
COc1cc(C#N)ccc1CN1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1	ZINC000369018921	260277511	/nfs/dbraw/zinc/27/75/11/260277511.db2.gz	NCJGYWRXIVIUHQ-QGZVFWFLSA-N	1	0	363.483	1.308	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000369274993	260330670	/nfs/dbraw/zinc/33/06/70/260330670.db2.gz	UMRXZLGVWBUFNQ-MRXNPFEDSA-N	1	0	372.469	1.230	20	30		FDEDRO
N#Cc1ncn(C2CC[NH+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)n1	ZINC000369382678	260353528	/nfs/dbraw/zinc/35/35/28/260353528.db2.gz	DLGWCERSOTUTDF-CQSZACIVSA-N	1	0	372.385	1.135	20	30		FDEDRO
CC[C@@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@]2(CCCOC2)O1	ZINC000369533569	260386116	/nfs/dbraw/zinc/38/61/16/260386116.db2.gz	UABZJCONSVBMJU-NSHGMRRFSA-N	1	0	360.454	1.958	20	30		FDEDRO
Cn1c(NC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)c(C#N)c(=O)n(C)c1=O	ZINC000369560622	260389969	/nfs/dbraw/zinc/38/99/69/260389969.db2.gz	IDUFSSVNYAMGDD-FZMZJTMJSA-N	1	0	359.455	1.122	20	30		FDEDRO
Cn1c(NC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)c(C#N)c(=O)n(C)c1=O	ZINC000369560624	260390935	/nfs/dbraw/zinc/39/09/35/260390935.db2.gz	IDUFSSVNYAMGDD-SMDDNHRTSA-N	1	0	359.455	1.122	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)CC1	ZINC000371355356	260696669	/nfs/dbraw/zinc/69/66/69/260696669.db2.gz	POCPIHTXYRURBL-UHFFFAOYSA-N	1	0	366.469	1.592	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC000373929383	261053302	/nfs/dbraw/zinc/05/33/02/261053302.db2.gz	OKGAPUTXZGQFOT-DLBZAZTESA-N	1	0	366.469	1.893	20	30		FDEDRO
COc1cc(CN2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)ccc1C#N	ZINC000374213569	261095125	/nfs/dbraw/zinc/09/51/25/261095125.db2.gz	WYXBLZIHTUNPSE-KRWDZBQOSA-N	1	0	363.483	1.308	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@H]3[C@H]3CCCO3)CC2)o1	ZINC000375339020	261317436	/nfs/dbraw/zinc/31/74/36/261317436.db2.gz	VQJRQQYFIBJOGE-DLBZAZTESA-N	1	0	373.457	1.147	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1	ZINC000378009378	261936691	/nfs/dbraw/zinc/93/66/91/261936691.db2.gz	IMPGZDREKUXGLN-NEPJUHHUSA-N	1	0	370.272	1.551	20	30		FDEDRO
C[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)n1cnc(C#N)n1	ZINC000409595154	262128681	/nfs/dbraw/zinc/12/86/81/262128681.db2.gz	FGVBBLPNUVYICT-NVXWUHKLSA-N	1	0	352.442	1.882	20	30		FDEDRO
C[C@@H](C(=O)NCc1ccc(OCCC[NH+](C)C)cc1)n1cnc(C#N)n1	ZINC000409657531	262131686	/nfs/dbraw/zinc/13/16/86/262131686.db2.gz	CFHWBRZHYXKVEB-AWEZNQCLSA-N	1	0	356.430	1.358	20	30		FDEDRO
C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)n1cnc(C#N)n1	ZINC000409780225	262139630	/nfs/dbraw/zinc/13/96/30/262139630.db2.gz	RNFUAECKMKNWQP-HLLBOEOZSA-N	1	0	352.442	1.738	20	30		FDEDRO
C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)n1cnc(C#N)n1	ZINC000409844630	262142180	/nfs/dbraw/zinc/14/21/80/262142180.db2.gz	VEBIKKXNOWITRR-GFCCVEGCSA-N	1	0	362.384	1.579	20	30		FDEDRO
Cc1c(C(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)ccc2c[nH+]cn21	ZINC000972089452	782055724	/nfs/dbraw/zinc/05/57/24/782055724.db2.gz	XIAMLDIYIWDWTE-VQIMIIECSA-N	1	0	362.433	1.729	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(C(=O)NC3CC3)c2)c1C#N	ZINC000527383903	490722399	/nfs/dbraw/zinc/72/23/99/490722399.db2.gz	GNXCVKBDENDXRF-UHFFFAOYSA-N	1	0	366.425	1.578	20	30		FDEDRO
C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000513761458	490746188	/nfs/dbraw/zinc/74/61/88/490746188.db2.gz	UWHHVBPVHCERFV-GFCCVEGCSA-N	1	0	372.404	1.278	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)NC[C@H]3COCC[NH2+]3)n2)c(Cl)c1	ZINC000528690742	490820362	/nfs/dbraw/zinc/82/03/62/490820362.db2.gz	YSYRCZLWNUENPJ-LBPRGKRZSA-N	1	0	360.805	1.507	20	30		FDEDRO
CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1nn(C)cc1C#N	ZINC000614688555	492048173	/nfs/dbraw/zinc/04/81/73/492048173.db2.gz	DLVMNDQMLPFMNI-LJQANCHMSA-N	1	0	368.441	1.392	20	30		FDEDRO
CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1	ZINC000615422171	492089477	/nfs/dbraw/zinc/08/94/77/492089477.db2.gz	NUKPXAJETRNGNU-CQSZACIVSA-N	1	0	360.462	1.437	20	30		FDEDRO
CCNC(=O)NC(=O)[C@@H](C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000021404914	518872989	/nfs/dbraw/zinc/87/29/89/518872989.db2.gz	CMJYYGLDWDBESE-OAHLLOKOSA-N	1	0	357.458	1.300	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](C)[NH+]2CCCC2)c1	ZINC000042507939	519692778	/nfs/dbraw/zinc/69/27/78/519692778.db2.gz	QWWCQGYWFMQETF-AWEZNQCLSA-N	1	0	351.472	1.365	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](CN2CCOCC2)C1	ZINC000069802941	521958870	/nfs/dbraw/zinc/95/88/70/521958870.db2.gz	PMMKPJNYIRUBMP-QZTJIDSGSA-N	1	0	362.518	1.762	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCCN(c3ccccc3C#N)CC2)CC1	ZINC000057171443	522021448	/nfs/dbraw/zinc/02/14/48/522021448.db2.gz	AYXLXAGVVXZJQE-UHFFFAOYSA-N	1	0	350.466	1.942	20	30		FDEDRO
C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1nnc2ccccn21	ZINC000070869524	522045529	/nfs/dbraw/zinc/04/55/29/522045529.db2.gz	OHAGWFKUGFNIDR-HOCLYGCPSA-N	1	0	351.410	1.886	20	30		FDEDRO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC2(CNC(=O)C2)CC1	ZINC000072697249	522362022	/nfs/dbraw/zinc/36/20/22/522362022.db2.gz	JDNHWCGAXXCGDM-LFDOHDQPSA-N	1	0	360.502	1.908	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)NCC[NH+]2CCC(C)CC2)cc1	ZINC000046955811	522400234	/nfs/dbraw/zinc/40/02/34/522400234.db2.gz	AWUZUFSPMOEQFU-UHFFFAOYSA-N	1	0	363.483	1.060	20	30		FDEDRO
CC[NH+](CC)CCSCC(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000072849467	522408258	/nfs/dbraw/zinc/40/82/58/522408258.db2.gz	VSHXLBWOFSFGDL-UHFFFAOYSA-N	1	0	361.515	1.677	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)c1	ZINC000047104046	522445674	/nfs/dbraw/zinc/44/56/74/522445674.db2.gz	HIYGWFUJDGKEFJ-DLBZAZTESA-N	1	0	354.458	1.412	20	30		FDEDRO
C[NH+]=C(NC[C@@H](c1cccs1)N(C)C)N1CCN(c2ncccn2)CC1	ZINC000073447278	522529653	/nfs/dbraw/zinc/52/96/53/522529653.db2.gz	UNWKGESSINVVKN-HNNXBMFYSA-N	1	0	373.530	1.538	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000073543533	522544296	/nfs/dbraw/zinc/54/42/96/522544296.db2.gz	QOLXTLOPIPHXSH-OKILXGFUSA-N	1	0	374.485	1.412	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC[NH+]1CCC(C)CC1	ZINC000047672129	522584708	/nfs/dbraw/zinc/58/47/08/522584708.db2.gz	SMOWIWPRFYMTEL-UHFFFAOYSA-N	1	0	368.485	1.999	20	30		FDEDRO
C[NH+]1CCC(n2c(=O)/c(=C/c3cccc(F)c3)sc2=C(C#N)C#N)CC1	ZINC000063452561	522591257	/nfs/dbraw/zinc/59/12/57/522591257.db2.gz	GGXRFPKJDIOVHL-YVLHZVERSA-N	1	0	368.437	1.342	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C	ZINC000073993484	522654522	/nfs/dbraw/zinc/65/45/22/522654522.db2.gz	JIAHNWDJQHXYPB-SJORKVTESA-N	1	0	366.469	1.846	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1	ZINC000064361884	522709505	/nfs/dbraw/zinc/70/95/05/522709505.db2.gz	QNYKCTGBNGEOAH-GOSISDBHSA-N	1	0	356.470	1.729	20	30		FDEDRO
COC(=O)c1cc(C(=O)N(CCC#N)CCC[NH+](C)C)cc([N+](=O)[O-])c1	ZINC000064381240	522709827	/nfs/dbraw/zinc/70/98/27/522709827.db2.gz	FNHXOSHINZKWGI-UHFFFAOYSA-N	1	0	362.386	1.689	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NCC(C)(C)C[NH+](C)C)ccc1F	ZINC000074442507	522778043	/nfs/dbraw/zinc/77/80/43/522778043.db2.gz	SZXJEKGRDRRTHF-UHFFFAOYSA-N	1	0	371.478	1.608	20	30		FDEDRO
COc1cccc([C@@H](CNC(=O)C(=O)Nc2cccc(C#N)c2)[NH+](C)C)c1	ZINC000048845383	522787975	/nfs/dbraw/zinc/78/79/75/522787975.db2.gz	GQBOHACLVMRDMZ-GOSISDBHSA-N	1	0	366.421	1.924	20	30		FDEDRO
CCN(CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C[C@@H](C)C#N	ZINC000049982462	522872748	/nfs/dbraw/zinc/87/27/48/522872748.db2.gz	CCXCOEJXPWGHGT-KRWDZBQOSA-N	1	0	350.507	1.619	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1	ZINC000075200513	522892118	/nfs/dbraw/zinc/89/21/18/522892118.db2.gz	UGGDNMDCWYMASE-SFHVURJKSA-N	1	0	354.454	1.669	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1	ZINC000075435712	522917097	/nfs/dbraw/zinc/91/70/97/522917097.db2.gz	CSPVBUXMLHTASK-MRXNPFEDSA-N	1	0	360.433	1.951	20	30		FDEDRO
Cc1nc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cn1C	ZINC000066102359	522953139	/nfs/dbraw/zinc/95/31/39/522953139.db2.gz	RPFPZVCNHKZRRI-UHFFFAOYSA-N	1	0	361.471	1.353	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCC[N@@H+](C)[C@@H](C)CC)c1	ZINC000066127285	522963054	/nfs/dbraw/zinc/96/30/54/522963054.db2.gz	KWBGKIUFHBHXBC-AWEZNQCLSA-N	1	0	353.488	1.611	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1	ZINC000066239777	522995204	/nfs/dbraw/zinc/99/52/04/522995204.db2.gz	ACMBKYNOKLPWHC-UHFFFAOYSA-N	1	0	352.442	1.930	20	30		FDEDRO
CC[C@@H](CO)[NH+]1CCN(CC(=O)N(CCC#N)c2cccc(C)c2C)CC1	ZINC000075958993	522998140	/nfs/dbraw/zinc/99/81/40/522998140.db2.gz	XSIXVULPLAHFTQ-IBGZPJMESA-N	1	0	372.513	1.939	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC1CC[NH+](CC(=C)C)CC1	ZINC000076282892	523066173	/nfs/dbraw/zinc/06/61/73/523066173.db2.gz	FBCFPZHWYONPBB-UHFFFAOYSA-N	1	0	373.428	1.933	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C)CC1CC[NH+](C)CC1	ZINC000076282242	523066932	/nfs/dbraw/zinc/06/69/32/523066932.db2.gz	CZGVUXVBMOALDK-UHFFFAOYSA-N	1	0	361.417	1.576	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)CCC(=O)N(CCC#N)c1ccccc1	ZINC000066621331	523137854	/nfs/dbraw/zinc/13/78/54/523137854.db2.gz	LWDWDZRBTZPZCA-UHFFFAOYSA-N	1	0	374.485	1.798	20	30		FDEDRO
Cc1ccccc1C[NH+]1CCC(Nc2c(C#N)c(=O)n(C)c(=O)n2C)CC1	ZINC000052406914	523168252	/nfs/dbraw/zinc/16/82/52/523168252.db2.gz	ABOWFAUEOUKKQG-UHFFFAOYSA-N	1	0	367.453	1.341	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@H]2C)cc1	ZINC000052679804	523235732	/nfs/dbraw/zinc/23/57/32/523235732.db2.gz	RNCKCLRDBDMPCB-OAHLLOKOSA-N	1	0	372.469	1.532	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1	ZINC000052679856	523235995	/nfs/dbraw/zinc/23/59/95/523235995.db2.gz	DJSFRYLZBFFTND-OAHLLOKOSA-N	1	0	372.469	1.389	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1	ZINC000052690523	523243718	/nfs/dbraw/zinc/24/37/18/523243718.db2.gz	GBDVPVVTFTZGAM-IAGOWNOFSA-N	1	0	370.453	1.284	20	30		FDEDRO
CC1CC[NH+](CCNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1	ZINC000067062761	523309772	/nfs/dbraw/zinc/30/97/72/523309772.db2.gz	TYFGTGSEKIUHFQ-UHFFFAOYSA-N	1	0	370.501	1.953	20	30		FDEDRO
C=CC[N@@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)Cc1cccs1	ZINC000053099829	523344771	/nfs/dbraw/zinc/34/47/71/523344771.db2.gz	AHWDUAWFNAVWES-UHFFFAOYSA-N	1	0	373.482	1.574	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)ccc1F	ZINC000077539859	523377494	/nfs/dbraw/zinc/37/74/94/523377494.db2.gz	ZYUKBMBEHWWBER-UHFFFAOYSA-N	1	0	353.357	1.380	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CC[NH+](CC3CCOCC3)CC2)c(F)c1	ZINC000077593993	523392307	/nfs/dbraw/zinc/39/23/07/523392307.db2.gz	KMCMVADACYHZFL-UHFFFAOYSA-N	1	0	360.433	1.951	20	30		FDEDRO
C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1	ZINC000067706986	523552279	/nfs/dbraw/zinc/55/22/79/523552279.db2.gz	RCRIVEBLPNZAIR-LJQANCHMSA-N	1	0	370.497	1.097	20	30		FDEDRO
C[C@@H](C(=O)NC(=O)NC1CC1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000054643342	523671933	/nfs/dbraw/zinc/67/19/33/523671933.db2.gz	WLQCHNUBLLJGCS-HNNXBMFYSA-N	1	0	369.469	1.443	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NCC[NH+]3CCC(C)CC3)cc2C1=O	ZINC000054779680	523693863	/nfs/dbraw/zinc/69/38/63/523693863.db2.gz	CXCIKJBFJLIWTI-UHFFFAOYSA-N	1	0	355.438	1.930	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC(=O)N(C2CC2)C1	ZINC000068310354	523755672	/nfs/dbraw/zinc/75/56/72/523755672.db2.gz	MQJJKKAALMQJJC-QGZVFWFLSA-N	1	0	354.454	1.459	20	30		FDEDRO
COc1ccc(N2C[C@H](C(=O)NC3(C#N)CC[NH+](C)CC3)CC2=O)cc1	ZINC000080012296	523821524	/nfs/dbraw/zinc/82/15/24/523821524.db2.gz	YHZXNPCZEHOAPQ-CQSZACIVSA-N	1	0	356.426	1.152	20	30		FDEDRO
C[C@@H]1C[C@@H](NS(=O)(=O)N(C)CCC#N)CC[N@@H+]1Cc1ccccc1	ZINC000080275611	523863090	/nfs/dbraw/zinc/86/30/90/523863090.db2.gz	RKGOFASNONMMIS-WBVHZDCISA-N	1	0	350.488	1.719	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2ccccc2C#N)C1	ZINC000080794837	523907054	/nfs/dbraw/zinc/90/70/54/523907054.db2.gz	RDWVMARZCUPSNQ-MRXNPFEDSA-N	1	0	351.472	1.680	20	30		FDEDRO
N#C[C@H]1COCCN1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1	ZINC000081166550	523947382	/nfs/dbraw/zinc/94/73/82/523947382.db2.gz	HXJVZDIEIJNZFN-KRWDZBQOSA-N	1	0	360.483	1.398	20	30		FDEDRO
CN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000121091767	524149014	/nfs/dbraw/zinc/14/90/14/524149014.db2.gz	DABWQLAQNIEZHU-UHFFFAOYSA-N	1	0	364.449	1.830	20	30		FDEDRO
C=CCCC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000121088327	524150153	/nfs/dbraw/zinc/15/01/53/524150153.db2.gz	JBPLYVQOXJIFBA-UHFFFAOYSA-N	1	0	365.499	1.418	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000081664336	524165405	/nfs/dbraw/zinc/16/54/05/524165405.db2.gz	ZQHKVVYMWJHBGC-UHFFFAOYSA-N	1	0	351.454	1.839	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1	ZINC000156987436	524186011	/nfs/dbraw/zinc/18/60/11/524186011.db2.gz	MPXHOWSRXVDXBW-LBPRGKRZSA-N	1	0	352.416	1.477	20	30		FDEDRO
CC(C)c1noc(CON=C(N)c2ccccc2C[NH+]2CCC(O)CC2)n1	ZINC000172413084	524219080	/nfs/dbraw/zinc/21/90/80/524219080.db2.gz	GYPMXPOEABEBIK-UHFFFAOYSA-N	1	0	373.457	1.987	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CCC(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000121418584	524252718	/nfs/dbraw/zinc/25/27/18/524252718.db2.gz	JWDURPCDEPXCRC-UHFFFAOYSA-N	1	0	371.401	1.665	20	30		FDEDRO
C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000157551151	524296398	/nfs/dbraw/zinc/29/63/98/524296398.db2.gz	OUEAFLBSYDPGEL-NWDGAFQWSA-N	1	0	350.400	1.324	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)NC2CC[NH+](CCOC)CC2)cc1	ZINC000144206077	524381284	/nfs/dbraw/zinc/38/12/84/524381284.db2.gz	SJADYTVSQZOWGA-UHFFFAOYSA-N	1	0	360.458	1.835	20	30		FDEDRO
C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000086450021	524392789	/nfs/dbraw/zinc/39/27/89/524392789.db2.gz	ZJHOFWZMFZNYLV-RBSFLKMASA-N	1	0	360.462	1.218	20	30		FDEDRO
C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC[N@@H+]1C	ZINC000121933109	524411340	/nfs/dbraw/zinc/41/13/40/524411340.db2.gz	KTCIHARSKMHODY-RYUDHWBXSA-N	1	0	352.416	1.570	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)CC1	ZINC000173579455	524419745	/nfs/dbraw/zinc/41/97/45/524419745.db2.gz	OWLIRHJYPBXKDQ-QGZVFWFLSA-N	1	0	356.470	1.700	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000122018017	524433216	/nfs/dbraw/zinc/43/32/16/524433216.db2.gz	VAPZXFBHHUIZPG-AEFFLSMTSA-N	1	0	371.481	1.972	20	30		FDEDRO
COc1cc(F)c(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc1F	ZINC000122137135	524459814	/nfs/dbraw/zinc/45/98/14/524459814.db2.gz	GFOXYDFMIBNKNP-UHFFFAOYSA-N	1	0	368.384	1.606	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc1Cl	ZINC000122169801	524469746	/nfs/dbraw/zinc/46/97/46/524469746.db2.gz	GMXNQVUJONEBJL-UHFFFAOYSA-N	1	0	366.849	1.981	20	30		FDEDRO
CCC[C@H](CCO)CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000089120963	524476497	/nfs/dbraw/zinc/47/64/97/524476497.db2.gz	URNIIHHWRDTGEM-CABCVRRESA-N	1	0	354.495	1.666	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NC[C@@H](CO)c3ccccc3)=[NH+]C[C@H]2C1	ZINC000089120845	524477535	/nfs/dbraw/zinc/47/75/35/524477535.db2.gz	ILJKVDBKLGZIAR-IRXDYDNUSA-N	1	0	374.485	1.643	20	30		FDEDRO
CN(C)c1nc(N)nc(CO[NH+]=C(N)c2ccc(N3CCCCC3)cc2)n1	ZINC000174128572	524517988	/nfs/dbraw/zinc/51/79/88/524517988.db2.gz	ZTQZXJUZRNCVSM-UHFFFAOYSA-N	1	0	370.461	1.347	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2COc3ccc(OC)cc3C2)c1C#N	ZINC000089662105	524518595	/nfs/dbraw/zinc/51/85/95/524518595.db2.gz	KZZIYMMGBGSHFX-ZDUSSCGKSA-N	1	0	369.425	1.632	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H](C)NC(=O)C2CCCC2)c1C#N	ZINC000089676137	524519886	/nfs/dbraw/zinc/51/98/86/524519886.db2.gz	YBMHSYYAWIVAAR-LBPRGKRZSA-N	1	0	360.462	1.457	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Cc2c(C)nn(C)c2C)c1C#N	ZINC000089675652	524520144	/nfs/dbraw/zinc/52/01/44/524520144.db2.gz	RMSNJEXFVUFSGG-LLVKDONJSA-N	1	0	357.462	1.601	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)CNc2cccc(C#N)c2)CC1	ZINC000158805032	524529995	/nfs/dbraw/zinc/52/99/95/524529995.db2.gz	XYIOHUDDQFDROE-LJQANCHMSA-N	1	0	355.486	1.599	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cc1	ZINC000151273838	524546687	/nfs/dbraw/zinc/54/66/87/524546687.db2.gz	AIOJCYSQAAYKGV-KRWDZBQOSA-N	1	0	365.499	1.563	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)CN(C)CCN1C(=O)c2ccccc2C1=O	ZINC000158901650	524548424	/nfs/dbraw/zinc/54/84/24/524548424.db2.gz	YAZRFDOTYWCGKE-CQSZACIVSA-N	1	0	356.426	1.223	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000122641451	524581295	/nfs/dbraw/zinc/58/12/95/524581295.db2.gz	IGQZREHHYPMOKN-GJZGRUSLSA-N	1	0	357.462	1.053	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)/C=C/c2ccc(OCC#N)cc2)CC1	ZINC000112922511	524596667	/nfs/dbraw/zinc/59/66/67/524596667.db2.gz	SUVPWYJLTSVVFC-AHKGRUIUSA-N	1	0	370.497	1.992	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1C#N	ZINC000174613202	524651593	/nfs/dbraw/zinc/65/15/93/524651593.db2.gz	WNLHOADTHIKIIX-HUUCEWRRSA-N	1	0	358.442	1.421	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1c(C)ccn(C)c1=O)C(C)C	ZINC000091194443	524657715	/nfs/dbraw/zinc/65/77/15/524657715.db2.gz	VPWLSQLVSYBIQB-MRXNPFEDSA-N	1	0	374.485	1.447	20	30		FDEDRO
C#CCCOc1ccc(C[NH2+]CC2CCN(S(C)(=O)=O)CC2)cc1	ZINC000113331601	524670657	/nfs/dbraw/zinc/67/06/57/524670657.db2.gz	YEXDOZFHWRNKSK-UHFFFAOYSA-N	1	0	350.484	1.850	20	30		FDEDRO
C#CCNC(=O)c1ccc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nc1	ZINC000091478138	524713762	/nfs/dbraw/zinc/71/37/62/524713762.db2.gz	PDJVYZVHBHCLBC-CALCHBBNSA-N	1	0	370.497	1.770	20	30		FDEDRO
C#CCNC(=O)c1ccc(N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)nc1	ZINC000091478142	524713894	/nfs/dbraw/zinc/71/38/94/524713894.db2.gz	PDJVYZVHBHCLBC-IRXDYDNUSA-N	1	0	370.497	1.770	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCC(n3cccn3)CC2)CC1	ZINC000091559965	524727341	/nfs/dbraw/zinc/72/73/41/524727341.db2.gz	XNOKAIGLKWNHHW-SFHVURJKSA-N	1	0	358.490	1.212	20	30		FDEDRO
CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1	ZINC000123371844	524738419	/nfs/dbraw/zinc/73/84/19/524738419.db2.gz	OHQRACPBIUXUKE-ZDUSSCGKSA-N	1	0	366.443	1.819	20	30		FDEDRO
C[NH+]=C(NCCNC(=O)c1ccc(Cl)cc1)N[C@H]1C[C@H]2CC[C@@H]1O2	ZINC000159801997	524740759	/nfs/dbraw/zinc/74/07/59/524740759.db2.gz	INNAWQYNRJUEMN-ILXRZTDVSA-N	1	0	350.850	1.555	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3ccc(F)cc3C#N)C2)CC1	ZINC000151980041	524745430	/nfs/dbraw/zinc/74/54/30/524745430.db2.gz	UGLBHAXPRDEAMN-INIZCTEOSA-N	1	0	366.462	1.098	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@]2(CO)CCc3ccccc32)CC1	ZINC000091631746	524747533	/nfs/dbraw/zinc/74/75/33/524747533.db2.gz	UHBIRJKFXFVYII-TZIWHRDSSA-N	1	0	370.497	1.102	20	30		FDEDRO
C[NH+](C)C[C@@H]1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000114198801	524758967	/nfs/dbraw/zinc/75/89/67/524758967.db2.gz	GLAVNLDFHAHTRZ-HNNXBMFYSA-N	1	0	352.442	1.566	20	30		FDEDRO
N#Cc1ccc(OCC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1	ZINC000160343522	524863258	/nfs/dbraw/zinc/86/32/58/524863258.db2.gz	RTPSLKUPBSSPKE-OALUTQOASA-N	1	0	357.454	1.821	20	30		FDEDRO
C[NH+]=C(NCc1ccc(C(N)=O)o1)N1CCN([C@H](C)C(F)(F)F)CC1	ZINC000123976285	524873446	/nfs/dbraw/zinc/87/34/46/524873446.db2.gz	XVFIBFZXPQTNEN-SNVBAGLBSA-N	1	0	361.368	1.022	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)c1	ZINC000124236549	524936555	/nfs/dbraw/zinc/93/65/55/524936555.db2.gz	ORQGVZFMAPHSHT-UHFFFAOYSA-N	1	0	374.485	1.332	20	30		FDEDRO
C[C@H](C(=O)NCC#Cc1ccc(C(F)(F)F)cc1)N1CCN(C)CC1	ZINC000175715174	524993017	/nfs/dbraw/zinc/99/30/17/524993017.db2.gz	UHJZQJCXTNKWFT-CQSZACIVSA-N	1	0	353.388	1.809	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1	ZINC000093821062	525003594	/nfs/dbraw/zinc/00/35/94/525003594.db2.gz	YQNUGGKVYPOMTO-LPHOPBHVSA-N	1	0	356.470	1.716	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc(C#N)c2)[C@H](C)C1	ZINC000115592209	525031140	/nfs/dbraw/zinc/03/11/40/525031140.db2.gz	OMNLLPNXKUEYKJ-QAPCUYQASA-N	1	0	365.499	1.974	20	30		FDEDRO
C[N@H+](CCNC(=O)C(=O)Nc1ccc(F)cc1C#N)Cc1ccccc1	ZINC000175967606	525038001	/nfs/dbraw/zinc/03/80/01/525038001.db2.gz	NRNLSUYEVDHXBQ-UHFFFAOYSA-N	1	0	354.385	1.884	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(C[C@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000115739234	525056226	/nfs/dbraw/zinc/05/62/26/525056226.db2.gz	DOEJSPGWKOZOPD-IBGZPJMESA-N	1	0	361.486	1.271	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)NCC2CC[NH+](C)CC2)cc1C#N	ZINC000161297344	525074175	/nfs/dbraw/zinc/07/41/75/525074175.db2.gz	ZRYMRURYMJZRIM-UHFFFAOYSA-N	1	0	358.442	1.742	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)CC1	ZINC000176497723	525128978	/nfs/dbraw/zinc/12/89/78/525128978.db2.gz	ZSJGBVIRVVEJMN-KRWDZBQOSA-N	1	0	360.506	1.729	20	30		FDEDRO
C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153254575	525157601	/nfs/dbraw/zinc/15/76/01/525157601.db2.gz	JCQZCULVLLFAGV-LLVKDONJSA-N	1	0	371.401	1.663	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)[C@@H](C(=O)NC1CC1)c1ccccc1	ZINC000153300572	525171703	/nfs/dbraw/zinc/17/17/03/525171703.db2.gz	JMSBQVAWUXQPQJ-QGZVFWFLSA-N	1	0	352.442	1.748	20	30		FDEDRO
Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153317534	525177142	/nfs/dbraw/zinc/17/71/42/525177142.db2.gz	HQQJNHUZIQCGFU-GFCCVEGCSA-N	1	0	358.450	1.106	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCCN(C(=O)c3ccc(F)cc3)CC2)CC1	ZINC000098093210	525202447	/nfs/dbraw/zinc/20/24/47/525202447.db2.gz	FEOOAKYDWHEJSQ-UHFFFAOYSA-N	1	0	371.456	1.845	20	30		FDEDRO
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000125479341	525205515	/nfs/dbraw/zinc/20/55/15/525205515.db2.gz	TYHNTXIHQMHTTK-UHFFFAOYSA-N	1	0	371.401	1.583	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)NCC1CCS(=O)(=O)CC1)C(C)C	ZINC000153440753	525212464	/nfs/dbraw/zinc/21/24/64/525212464.db2.gz	FVXXKCDRWVZTHL-QGZVFWFLSA-N	1	0	371.547	1.809	20	30		FDEDRO
NC(=NOCc1nnnn1C1CC1)c1cccc(C[NH+]2CCCCC2)c1	ZINC000101540824	525226112	/nfs/dbraw/zinc/22/61/12/525226112.db2.gz	KIBFVSHDRWEFBK-UHFFFAOYSA-N	1	0	355.446	1.831	20	30		FDEDRO
CCN(CC(=O)c1c(N)n(CC)c(=O)[nH]c1=O)[C@H](C)c1ccc(C#N)cc1	ZINC000125766843	525234556	/nfs/dbraw/zinc/23/45/56/525234556.db2.gz	ZJGYXUBJNRFPML-GFCCVEGCSA-N	1	0	369.425	1.276	20	30		FDEDRO
CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1CCOc1ccccc1C#N	ZINC000125803348	525238652	/nfs/dbraw/zinc/23/86/52/525238652.db2.gz	DWTNXIDYGRNUOD-MRXNPFEDSA-N	1	0	351.472	1.731	20	30		FDEDRO
C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000125955186	525255663	/nfs/dbraw/zinc/25/56/63/525255663.db2.gz	IADZZOQMNAABCB-KBPBESRZSA-N	1	0	353.488	1.798	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CCCOc2cccc(C#N)c2)CC1	ZINC000162567411	525278938	/nfs/dbraw/zinc/27/89/38/525278938.db2.gz	BUPYYHVOILPVSQ-LJQANCHMSA-N	1	0	356.470	1.566	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)Nc2cnn(CC)c2)CC1	ZINC000102398419	525285014	/nfs/dbraw/zinc/28/50/14/525285014.db2.gz	MJJDZYWIYDZNJC-OAHLLOKOSA-N	1	0	374.489	1.562	20	30		FDEDRO
C[NH+]=C(NCc1cn(C)nc1C(F)(F)F)N[C@@H]1CCc2nc(C)nn2C1	ZINC000153751923	525311269	/nfs/dbraw/zinc/31/12/69/525311269.db2.gz	GCSNGWJJLBPAOM-LLVKDONJSA-N	1	0	370.383	1.019	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1	ZINC000103475108	525358332	/nfs/dbraw/zinc/35/83/32/525358332.db2.gz	XOFPBNHEPHXMGY-UHFFFAOYSA-N	1	0	355.442	1.953	20	30		FDEDRO
C=CCCOCCNC(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1	ZINC000127172389	525391584	/nfs/dbraw/zinc/39/15/84/525391584.db2.gz	BOQVLQABSIHLPL-QGZVFWFLSA-N	1	0	366.506	1.307	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1	ZINC000178210576	525396826	/nfs/dbraw/zinc/39/68/26/525396826.db2.gz	GUCQAJZNXRBZDW-QGZVFWFLSA-N	1	0	359.857	1.907	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NC[C@@]2(N3CCOCC3)CCSC2)cc1	ZINC000104178565	525397581	/nfs/dbraw/zinc/39/75/81/525397581.db2.gz	UQVMWWZNCSUYJH-KRWDZBQOSA-N	1	0	350.488	1.630	20	30		FDEDRO
COc1ccc([C@@H](CNC(=[NH2+])NC(C)(C)C)N2CCOCC2)cc1OC	ZINC000104154808	525398737	/nfs/dbraw/zinc/39/87/37/525398737.db2.gz	TZIUAJSYHHFJEN-OAHLLOKOSA-N	1	0	364.490	1.780	20	30		FDEDRO
CC1CC[NH+]([C@@H](CNC(=O)Cn2cnc(C#N)n2)c2ccccc2)CC1	ZINC000178449775	525429786	/nfs/dbraw/zinc/42/97/86/525429786.db2.gz	GDVAFMAYXCWXHO-KRWDZBQOSA-N	1	0	352.442	1.739	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NCC[NH+](C)C)cc1	ZINC000118094360	525433178	/nfs/dbraw/zinc/43/31/78/525433178.db2.gz	HEVUQSNNHVWYGD-UHFFFAOYSA-N	1	0	358.442	1.117	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCN(C(=O)C[NH+](C)C)CC1	ZINC000127584189	525439831	/nfs/dbraw/zinc/43/98/31/525439831.db2.gz	JKQJFZINSXGHJQ-QGZVFWFLSA-N	1	0	371.485	1.028	20	30		FDEDRO
C=CCN(C)C(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C	ZINC000154218329	525460654	/nfs/dbraw/zinc/46/06/54/525460654.db2.gz	CACZKXNTIPAAQH-UHFFFAOYSA-N	1	0	353.488	1.483	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC[N@@H+](CC)C2CC2)cc1	ZINC000118120285	525462843	/nfs/dbraw/zinc/46/28/43/525462843.db2.gz	HQYUXLNKNUSNBR-UHFFFAOYSA-N	1	0	358.442	1.141	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@H+](C)[C@@H]2CCCCNC2=O)c(OC)c1	ZINC000105610759	525521220	/nfs/dbraw/zinc/52/12/20/525521220.db2.gz	RVEXSQMKPRRPAG-DLBZAZTESA-N	1	0	362.470	1.764	20	30		FDEDRO
CC[C@H](CC#N)NC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1	ZINC000128269811	525521563	/nfs/dbraw/zinc/52/15/63/525521563.db2.gz	UUBXPZONNDACMV-MRXNPFEDSA-N	1	0	357.458	1.181	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCc2ccc(C#N)cc2F)CC1=O	ZINC000105782212	525538388	/nfs/dbraw/zinc/53/83/88/525538388.db2.gz	GGKOVEIGTNEHQG-SJORKVTESA-N	1	0	372.444	1.646	20	30		FDEDRO
CC[NH+]=C(NCc1cccc(N2CC=CC2)c1)N[C@@H]1CCc2ncnn2C1	ZINC000128525543	525552627	/nfs/dbraw/zinc/55/26/27/525552627.db2.gz	VJDLCKAJKYPLQB-QGZVFWFLSA-N	1	0	365.485	1.724	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)CC1	ZINC000106035164	525554314	/nfs/dbraw/zinc/55/43/14/525554314.db2.gz	OKNRDWHITZBOFO-AWEZNQCLSA-N	1	0	362.474	1.396	20	30		FDEDRO
N#Cc1ccc(Cl)c(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)c1	ZINC000154532888	525565008	/nfs/dbraw/zinc/56/50/08/525565008.db2.gz	OJPZUEGKQRPXFT-UHFFFAOYSA-N	1	0	364.833	1.379	20	30		FDEDRO
CCC[C@H]([NH3+])C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1	ZINC000154604785	525587136	/nfs/dbraw/zinc/58/71/36/525587136.db2.gz	RSERXEIWXIMQBD-SQQITKIUSA-N	1	0	352.460	1.565	20	30		FDEDRO
CC(C)[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1	ZINC000154635196	525595505	/nfs/dbraw/zinc/59/55/05/525595505.db2.gz	LQAPILBMCKRAJF-NOMGLIDZSA-N	1	0	352.460	1.421	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1	ZINC000154663960	525605283	/nfs/dbraw/zinc/60/52/83/525605283.db2.gz	DUYWCOKJFACZCN-KRWDZBQOSA-N	1	0	359.857	1.907	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CN(C)CCO1)N(C)Cc1nc(-c2ccccc2)c[nH]1	ZINC000119022150	525610689	/nfs/dbraw/zinc/61/06/89/525610689.db2.gz	LIVQQFKJWGBFJP-INIZCTEOSA-N	1	0	356.474	1.415	20	30		FDEDRO
Cc1cc(CN(CCC#N)CCN2CCOCC2)ccc1-n1cncn1	ZINC000154759809	525630877	/nfs/dbraw/zinc/63/08/77/525630877.db2.gz	OCJNAUDUZZBTGM-UHFFFAOYSA-N	1	0	354.458	1.624	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1	ZINC000154918233	525683467	/nfs/dbraw/zinc/68/34/67/525683467.db2.gz	SXTKMOVDUKKZNX-MRXNPFEDSA-N	1	0	373.501	1.451	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C	ZINC000119353962	525717304	/nfs/dbraw/zinc/71/73/04/525717304.db2.gz	XJYTWEOHDVAGIB-BBRMVZONSA-N	1	0	361.417	1.575	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2cccc(C#N)c2)cc1	ZINC000106418560	525721674	/nfs/dbraw/zinc/72/16/74/525721674.db2.gz	RSKJXZSHQGKHRU-UHFFFAOYSA-N	1	0	350.422	1.780	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)cc1	ZINC000119479184	525759753	/nfs/dbraw/zinc/75/97/53/525759753.db2.gz	MHCSTXPGYMWYBM-QZTJIDSGSA-N	1	0	360.454	1.815	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)CC1	ZINC000180901772	525772738	/nfs/dbraw/zinc/77/27/38/525772738.db2.gz	OCQOBECXWZZCHO-CQSZACIVSA-N	1	0	361.392	1.532	20	30		FDEDRO
C#CCOc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1	ZINC000181042887	525796852	/nfs/dbraw/zinc/79/68/52/525796852.db2.gz	QXNNDGRSIDGMJW-HKUYNNGSSA-N	1	0	371.481	1.282	20	30		FDEDRO
CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(C#N)cc2)cc1	ZINC000181054127	525798167	/nfs/dbraw/zinc/79/81/67/525798167.db2.gz	FTGKTZOBKNOKCT-FZKQIMNGSA-N	1	0	359.451	1.851	20	30		FDEDRO
N#Cc1cccc(NCC(=O)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1	ZINC000119741965	525844944	/nfs/dbraw/zinc/84/49/44/525844944.db2.gz	ZCRQUXLHSSHWSA-FQEVSTJZSA-N	1	0	364.449	1.506	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CCN(c2ccccn2)CC1	ZINC000155405420	525853741	/nfs/dbraw/zinc/85/37/41/525853741.db2.gz	PGCULUIKBZFLLC-JQHSSLGASA-N	1	0	357.502	1.983	20	30		FDEDRO
CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000119805014	525869816	/nfs/dbraw/zinc/86/98/16/525869816.db2.gz	CGBMORMWUFEOGG-GJZGRUSLSA-N	1	0	359.478	1.299	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)CN3Cc4ccccc4C3)CC2)o1	ZINC000155500098	525884817	/nfs/dbraw/zinc/88/48/17/525884817.db2.gz	KQTLYBJHENXLNO-UHFFFAOYSA-N	1	0	351.410	1.519	20	30		FDEDRO
N#C[C@H]1CN(C(=O)NCC2CC[NH+](Cc3ccccc3F)CC2)CCO1	ZINC000107393565	525885941	/nfs/dbraw/zinc/88/59/41/525885941.db2.gz	QOKUWZQJYUUPRJ-KRWDZBQOSA-N	1	0	360.433	1.972	20	30		FDEDRO
COC[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1ccccc1	ZINC000181674912	525889820	/nfs/dbraw/zinc/88/98/20/525889820.db2.gz	QFPPHTIWYFRGAI-RBUKOAKNSA-N	1	0	358.486	1.656	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1	ZINC000131726670	525894288	/nfs/dbraw/zinc/89/42/88/525894288.db2.gz	IKENZEZNPJVPLO-UHFFFAOYSA-N	1	0	356.426	1.763	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@H]4OCCC[C@@H]4C3)CC2)o1	ZINC000155534804	525896986	/nfs/dbraw/zinc/89/69/86/525896986.db2.gz	RILIJIPEOLBQJG-NVXWUHKLSA-N	1	0	373.457	1.004	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1	ZINC000181734997	525911749	/nfs/dbraw/zinc/91/17/49/525911749.db2.gz	CRGRWDROFGIEQX-LSDHHAIUSA-N	1	0	358.442	1.764	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCCCC#N)c(C)c2)CC1	ZINC000171474690	526008974	/nfs/dbraw/zinc/00/89/74/526008974.db2.gz	XEJZGWSUXZAVJM-UHFFFAOYSA-N	1	0	371.485	1.886	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)N3CCO[C@H](C#N)C3)c(C)c2)CC1	ZINC000171548826	526030459	/nfs/dbraw/zinc/03/04/59/526030459.db2.gz	PKEJNQOPTYOVNL-QGZVFWFLSA-N	1	0	357.458	1.893	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(C(=O)c3ccccc3OCC#N)CC2)c1	ZINC000171564485	526036641	/nfs/dbraw/zinc/03/66/41/526036641.db2.gz	WROAMHLZPQJNOH-UHFFFAOYSA-N	1	0	352.394	1.955	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)O1	ZINC000182107258	526058099	/nfs/dbraw/zinc/05/80/99/526058099.db2.gz	GYYQRIDKAYSECJ-UXHICEINSA-N	1	0	370.497	1.748	20	30		FDEDRO
N#CC1(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CCOCC1	ZINC000109139685	526079739	/nfs/dbraw/zinc/07/97/39/526079739.db2.gz	HHFZNDURDWPMGX-UHFFFAOYSA-N	1	0	370.497	1.631	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H](Cc2cccc(F)c2)n2nnnc2C)CC1	ZINC000171718208	526090708	/nfs/dbraw/zinc/09/07/08/526090708.db2.gz	QQWYOSHNZSAJOS-SFHVURJKSA-N	1	0	372.448	1.671	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)CC1	ZINC000171719382	526092117	/nfs/dbraw/zinc/09/21/17/526092117.db2.gz	ZNOQRLBBYMCHJP-CQSZACIVSA-N	1	0	355.442	1.091	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(C(=O)c3ccccc3)CC2)CC1	ZINC000171736661	526100619	/nfs/dbraw/zinc/10/06/19/526100619.db2.gz	KBQDLEPGKIMKAA-UHFFFAOYSA-N	1	0	356.470	1.804	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1	ZINC000171739098	526104368	/nfs/dbraw/zinc/10/43/68/526104368.db2.gz	LYRTUYCKIDDCHS-UHFFFAOYSA-N	1	0	354.458	1.435	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1	ZINC000133904703	526106693	/nfs/dbraw/zinc/10/66/93/526106693.db2.gz	VQPCDYQUHKMDMA-HNNXBMFYSA-N	1	0	372.469	1.341	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000120563114	526110529	/nfs/dbraw/zinc/11/05/29/526110529.db2.gz	UZAZTJNDCZPVML-ZFWWWQNUSA-N	1	0	361.417	1.717	20	30		FDEDRO
CC[NH+]1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1	ZINC000182621276	535835675	/nfs/dbraw/zinc/83/56/75/535835675.db2.gz	MKFMPSPFWQIMFA-MRXNPFEDSA-N	1	0	361.515	1.094	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](N3CC[NH+](C4CCOCC4)CC3)C2=O)cc1	ZINC000182822196	535869714	/nfs/dbraw/zinc/86/97/14/535869714.db2.gz	SBDGDOUFTGIBKD-HXUWFJFHSA-N	1	0	368.481	1.850	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)CC(C)(C)O	ZINC000183179248	535936553	/nfs/dbraw/zinc/93/65/53/535936553.db2.gz	RTINZFZPJDQKRV-KRWDZBQOSA-N	1	0	362.449	1.237	20	30		FDEDRO
C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1	ZINC000183204291	535943167	/nfs/dbraw/zinc/94/31/67/535943167.db2.gz	BJBNWVSVIIUEHV-QAPCUYQASA-N	1	0	359.470	1.910	20	30		FDEDRO
CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1	ZINC000184649954	536173766	/nfs/dbraw/zinc/17/37/66/536173766.db2.gz	VSFJEOQYRSYZOY-CQSZACIVSA-N	1	0	353.430	1.944	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1	ZINC000184886777	536189741	/nfs/dbraw/zinc/18/97/41/536189741.db2.gz	FJGWWLISSYTQAA-UHFFFAOYSA-N	1	0	371.890	1.679	20	30		FDEDRO
C[NH+](C)CC1(CNC(=O)N2CCN(c3ncccc3C#N)CC2)CCCC1	ZINC000185172170	536201316	/nfs/dbraw/zinc/20/13/16/536201316.db2.gz	PAHZIVPDWXUUPJ-UHFFFAOYSA-N	1	0	370.501	1.907	20	30		FDEDRO
Cn1cc(S(=O)(=O)N2CCC([NH2+][C@H]3CCC[C@@H](C#N)C3)CC2)cn1	ZINC000185842325	536218980	/nfs/dbraw/zinc/21/89/80/536218980.db2.gz	XZKMYJPIXGCRKK-HIFRSBDPSA-N	1	0	351.476	1.245	20	30		FDEDRO
CCN(C)C(=O)CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000186226753	536229392	/nfs/dbraw/zinc/22/93/92/536229392.db2.gz	CVVBYAXNASOJMW-UHFFFAOYSA-N	1	0	357.458	1.254	20	30		FDEDRO
CC1CCN(C(=[NH2+])NCc2ccc(N3CCCS3(=O)=O)c(F)c2)CC1	ZINC000186887317	536247657	/nfs/dbraw/zinc/24/76/57/536247657.db2.gz	ZYXDLGKXIWEDLR-UHFFFAOYSA-N	1	0	368.478	1.912	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CC2([NH+](C)C)CCC2)cc1	ZINC000188022965	536280689	/nfs/dbraw/zinc/28/06/89/536280689.db2.gz	SMZJSOGGMRZSFA-UHFFFAOYSA-N	1	0	363.483	1.154	20	30		FDEDRO
C[NH+]=C(NC[C@](C)(O)c1ccco1)N[C@H]1CCC[C@@H](C(=O)N(C)C)C1	ZINC000262799309	536903956	/nfs/dbraw/zinc/90/39/56/536903956.db2.gz	QLHDHCRZUYJEAZ-GLJUWKHASA-N	1	0	350.463	1.299	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCc2ccc(C#N)cc2)CC1=O	ZINC000246504242	536968753	/nfs/dbraw/zinc/96/87/53/536968753.db2.gz	UEFJUJDFHJQSMA-ZWKOTPCHSA-N	1	0	354.454	1.507	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)Cc2cccc(C#N)c2)CC1=O	ZINC000246525790	536973646	/nfs/dbraw/zinc/97/36/46/536973646.db2.gz	WEWVQHWOFKZESP-OALUTQOASA-N	1	0	368.481	1.849	20	30		FDEDRO
C[NH+]=C(NCCOC)NCc1cc(Br)c2c(c1)OCCO2	ZINC000263227135	536996255	/nfs/dbraw/zinc/99/62/55/536996255.db2.gz	GUOQSOKBYIXHGZ-UHFFFAOYSA-N	1	0	358.236	1.532	20	30		FDEDRO
C[NH+]=C(NCc1ccc(S(N)(=O)=O)s1)N1CCc2ccccc21	ZINC000263254970	537002483	/nfs/dbraw/zinc/00/24/83/537002483.db2.gz	QJVNLAMPLQZTGZ-UHFFFAOYSA-N	1	0	350.469	1.534	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C[NH+](C)C)ccc1F	ZINC000268151678	537011909	/nfs/dbraw/zinc/01/19/09/537011909.db2.gz	OZQGFMMIPXCNHD-AWEZNQCLSA-N	1	0	369.462	1.456	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)[N@H+](C)C1CC1	ZINC000246763052	537021375	/nfs/dbraw/zinc/02/13/75/537021375.db2.gz	NTHLSSPCTGCMCZ-APWZRJJASA-N	1	0	355.486	1.889	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1	ZINC000246861479	537040293	/nfs/dbraw/zinc/04/02/93/537040293.db2.gz	CMULQHYXPDOFOL-RHSMWYFYSA-N	1	0	373.428	1.719	20	30		FDEDRO
CN(CC1([NH+](C)C)CCC1)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000189514781	537059256	/nfs/dbraw/zinc/05/92/56/537059256.db2.gz	CCUBVUKJXSQXAO-UHFFFAOYSA-N	1	0	352.442	1.882	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@@H](Cn4cncn4)C3)C2=O)cc1	ZINC000247574633	537136365	/nfs/dbraw/zinc/13/63/65/537136365.db2.gz	HPNDIWDLRBVLGT-SJLPKXTDSA-N	1	0	350.426	1.667	20	30		FDEDRO
CN1CC[N@H+](CCCNC(=O)N2CCO[C@H](C#N)C2)[C@@H](c2ccccc2)C1	ZINC000247579605	537137531	/nfs/dbraw/zinc/13/75/31/537137531.db2.gz	IGBHBISLBNUBFL-RTBURBONSA-N	1	0	371.485	1.299	20	30		FDEDRO
CC1CCN(c2ccc(CNC(=[NH2+])NCCCN3CCOCC3)cn2)CC1	ZINC000264153337	537138901	/nfs/dbraw/zinc/13/89/01/537138901.db2.gz	ZWQAWJCOLMESKW-UHFFFAOYSA-N	1	0	374.533	1.445	20	30		FDEDRO
CO/N=C/c1ccc(C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1	ZINC000264573190	537145485	/nfs/dbraw/zinc/14/54/85/537145485.db2.gz	XMXXNHWEURSAAM-DDNKWHRWSA-N	1	0	358.486	1.909	20	30		FDEDRO
C#C[C@@H](C)NC(=O)C(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1	ZINC000190253871	537158125	/nfs/dbraw/zinc/15/81/25/537158125.db2.gz	BYHIEJBHIIXLCP-CYBMUJFWSA-N	1	0	362.861	1.558	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@H](O)C1CCOCC1)C(C)C	ZINC000265574798	537158617	/nfs/dbraw/zinc/15/86/17/537158617.db2.gz	PIXQVGBOCRSMLK-QZTJIDSGSA-N	1	0	353.507	1.772	20	30		FDEDRO
CCN(CCC[NH+](C)C)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000190257704	537158739	/nfs/dbraw/zinc/15/87/39/537158739.db2.gz	YODSOAHNEICSLK-SFHVURJKSA-N	1	0	371.485	1.642	20	30		FDEDRO
C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1	ZINC000190288875	537162061	/nfs/dbraw/zinc/16/20/61/537162061.db2.gz	RXLYPXJSXGPPOT-OAHLLOKOSA-N	1	0	370.453	1.578	20	30		FDEDRO
C#CCSCCNC(=O)NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C	ZINC000265800367	537174084	/nfs/dbraw/zinc/17/40/84/537174084.db2.gz	HZXIIOZKVSWYOW-OAHLLOKOSA-N	1	0	365.499	1.972	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21	ZINC000190958194	537192387	/nfs/dbraw/zinc/19/23/87/537192387.db2.gz	YSXZCXCTBNOYDJ-NVXWUHKLSA-N	1	0	355.438	1.580	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1	ZINC000248626559	537198526	/nfs/dbraw/zinc/19/85/26/537198526.db2.gz	FWVKFSNWZMVGJT-UONOGXRCSA-N	1	0	351.472	1.966	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1	ZINC000192150238	537221175	/nfs/dbraw/zinc/22/11/75/537221175.db2.gz	XFNRLBYBZLFPFM-XJKSGUPXSA-N	1	0	364.833	1.213	20	30		FDEDRO
CC(C)C[C@@]1(CO)CCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000248974942	537223546	/nfs/dbraw/zinc/22/35/46/537223546.db2.gz	DIIBRODLYUNEGS-UYAOXDASSA-N	1	0	364.534	1.552	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(C)C	ZINC000193097977	537239916	/nfs/dbraw/zinc/23/99/16/537239916.db2.gz	BDHRRIIPLLLMAB-BBWFWOEESA-N	1	0	359.536	1.629	20	30		FDEDRO
C[C@H]([NH3+])CCC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1	ZINC000193206163	537242451	/nfs/dbraw/zinc/24/24/51/537242451.db2.gz	IKYNNUWAPNJTSD-OGAOFSLMSA-N	1	0	352.460	1.565	20	30		FDEDRO
COc1ccc([C@@H](CO)[N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)cc1	ZINC000250351510	537245016	/nfs/dbraw/zinc/24/50/16/537245016.db2.gz	AMLJEHZFXWLKMD-FXAWDEMLSA-N	1	0	356.422	1.972	20	30		FDEDRO
CCNC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1	ZINC000285793671	537287116	/nfs/dbraw/zinc/28/71/16/537287116.db2.gz	ZQMXTLTVLZGRRT-DLBZAZTESA-N	1	0	361.442	1.899	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)C[C@@H](C)C(=O)OC)c(OC)c1	ZINC000298733355	537292203	/nfs/dbraw/zinc/29/22/03/537292203.db2.gz	PLNLGRCJPOXOKT-ZBFHGGJFSA-N	1	0	351.443	1.904	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1	ZINC000270211410	537298673	/nfs/dbraw/zinc/29/86/73/537298673.db2.gz	IWCCBTDWDYTLFS-QGZVFWFLSA-N	1	0	354.454	1.996	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NCC1([NH+](C)C)Cc2ccccc2C1	ZINC000282689294	537334932	/nfs/dbraw/zinc/33/49/32/537334932.db2.gz	PDNQTWNUCIHWEA-CQSZACIVSA-N	1	0	350.488	1.011	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@H](C)Cn1cccn1)C(C)C	ZINC000282934342	537348593	/nfs/dbraw/zinc/34/85/93/537348593.db2.gz	APGTYFIXZJUXQN-IAGOWNOFSA-N	1	0	361.490	1.203	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NCc1ccc(OCC[NH+](C)C)cc1	ZINC000283084582	537350968	/nfs/dbraw/zinc/35/09/68/537350968.db2.gz	VWXADQZBKYJJPD-CQSZACIVSA-N	1	0	354.476	1.195	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1	ZINC000363962809	537376875	/nfs/dbraw/zinc/37/68/75/537376875.db2.gz	KKGNTRZVPCBGKO-ROUUACIJSA-N	1	0	354.454	1.650	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[NH+](C3CCOCC3)CC2)cnc1C(F)(F)F	ZINC000293191122	537382073	/nfs/dbraw/zinc/38/20/73/537382073.db2.gz	KVEMHLRPXPTNOB-UHFFFAOYSA-N	1	0	368.359	1.909	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CCOC(C)(C)C1)C(C)C	ZINC000283897972	537389710	/nfs/dbraw/zinc/38/97/10/537389710.db2.gz	FRQDJEKNYSLMBI-DLBZAZTESA-N	1	0	365.518	1.875	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCc2cccc(OC)c2)CC1	ZINC000283931381	537394324	/nfs/dbraw/zinc/39/43/24/537394324.db2.gz	FNRJRAAJPXSKSN-UHFFFAOYSA-N	1	0	359.470	1.511	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCCOc2ccccc2)CC1	ZINC000284235412	537403691	/nfs/dbraw/zinc/40/36/91/537403691.db2.gz	HCYXRAICDBYCNC-UHFFFAOYSA-N	1	0	359.470	1.728	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)NCc1cccc(C#N)c1)c1cccs1	ZINC000284551275	537424859	/nfs/dbraw/zinc/42/48/59/537424859.db2.gz	VDVRNVTUXFCGTF-HNNXBMFYSA-N	1	0	356.451	1.655	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ncc(Cl)n2C)CC1	ZINC000286326561	537433161	/nfs/dbraw/zinc/43/31/61/537433161.db2.gz	AJJGTUXMYLWUNB-UHFFFAOYSA-N	1	0	367.881	1.189	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c(F)c1	ZINC000288114098	537453360	/nfs/dbraw/zinc/45/33/60/537453360.db2.gz	JOWSIGGNVFHSEW-BLLLJJGKSA-N	1	0	361.392	1.970	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(C)cc1OCCOC	ZINC000293429117	537454491	/nfs/dbraw/zinc/45/44/91/537454491.db2.gz	QOUJKENNJVHFMT-UHFFFAOYSA-N	1	0	361.442	1.030	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000288256612	537471223	/nfs/dbraw/zinc/47/12/23/537471223.db2.gz	CCPOUCJDGFYWOD-UHFFFAOYSA-N	1	0	372.922	1.716	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NC[C@H](CC[NH+](C)C)OCC	ZINC000274715820	537529739	/nfs/dbraw/zinc/52/97/39/537529739.db2.gz	AASJGDICLLYXCR-HNNXBMFYSA-N	1	0	361.442	1.110	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNC(=O)C(=O)Nc2sccc2C#N)ccn1	ZINC000293741612	537577513	/nfs/dbraw/zinc/57/75/13/537577513.db2.gz	UYYTYZMZXNBSGB-UHFFFAOYSA-N	1	0	373.438	1.210	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1F	ZINC000291428042	537589067	/nfs/dbraw/zinc/58/90/67/537589067.db2.gz	YGFKMQPRERQBQB-IAGOWNOFSA-N	1	0	374.416	1.130	20	30		FDEDRO
COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1	ZINC000275926068	537593190	/nfs/dbraw/zinc/59/31/90/537593190.db2.gz	UUGMKNMJMYEPQB-UHFFFAOYSA-N	1	0	362.430	1.026	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cn(C2CC[NH2+]CC2)nn1	ZINC000236657845	537593409	/nfs/dbraw/zinc/59/34/09/537593409.db2.gz	ZAVIQLZFORPWEC-UHFFFAOYSA-N	1	0	370.413	1.939	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[NH2+]CC2)cc1Br	ZINC000313959127	537608314	/nfs/dbraw/zinc/60/83/14/537608314.db2.gz	LGUCRNQZWRXBTC-UHFFFAOYSA-N	1	0	351.204	1.081	20	30		FDEDRO
C=CCn1c(-c2cnn(C)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C	ZINC000289869894	537610630	/nfs/dbraw/zinc/61/06/30/537610630.db2.gz	YZBROAPUPJUQMA-HNNXBMFYSA-N	1	0	371.489	1.554	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)N=c1ccn(CCC#N)[nH]1	ZINC000363554179	537612582	/nfs/dbraw/zinc/61/25/82/537612582.db2.gz	CBRWDABHGZEMCZ-PMPSAXMXSA-N	1	0	360.462	1.808	20	30		FDEDRO
C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1	ZINC000329178975	537636014	/nfs/dbraw/zinc/63/60/14/537636014.db2.gz	CXBGOQWQHWRZPU-INMHGKMJSA-N	1	0	373.519	1.101	20	30		FDEDRO
CC(=O)N1CCC(NC(=O)C[NH+]2CCC(Cn3cc(C)cn3)CC2)CC1	ZINC000329176935	537636071	/nfs/dbraw/zinc/63/60/71/537636071.db2.gz	MZNKGBFCTBVNAQ-UHFFFAOYSA-N	1	0	361.490	1.871	20	30		FDEDRO
C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2CCC[NH2+]2)nc1C	ZINC000237669229	537636063	/nfs/dbraw/zinc/63/60/63/537636063.db2.gz	IZBXEIYKPLLSOI-VIFPVBQESA-N	1	0	350.473	1.875	20	30		FDEDRO
O=C(NC[C@H]1CCCCS1(=O)=O)N1CCC[C@H]([NH+]2CCCC2)CC1	ZINC000329546276	537638382	/nfs/dbraw/zinc/63/83/82/537638382.db2.gz	ICAUMKSQMYZCIX-JKSUJKDBSA-N	1	0	357.520	1.818	20	30		FDEDRO
CC(C)(C)n1cnc(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)n1	ZINC000329550030	537638392	/nfs/dbraw/zinc/63/83/92/537638392.db2.gz	JDCAIQDQNFNDAI-CYBMUJFWSA-N	1	0	350.467	1.860	20	30		FDEDRO
CN1CC[NH+](CC2(C)CCN(C(=O)NCCc3ccncc3)CC2)CC1	ZINC000329861311	537643972	/nfs/dbraw/zinc/64/39/72/537643972.db2.gz	XUHLOXPKWQKFTP-UHFFFAOYSA-N	1	0	359.518	1.888	20	30		FDEDRO
CN1C[C@@H](NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2cccs2)CCC1=O	ZINC000329923027	537646725	/nfs/dbraw/zinc/64/67/25/537646725.db2.gz	UFONNZHLCRGZDP-IHRRRGAJSA-N	1	0	368.478	1.785	20	30		FDEDRO
Cn1cc(N2CCC[C@H](NC(=O)NC[C@H]3CCc4nccn4C3)C2)cn1	ZINC000329923424	537646830	/nfs/dbraw/zinc/64/68/30/537646830.db2.gz	UJFMITKCVWKRME-CABCVRRESA-N	1	0	357.462	1.352	20	30		FDEDRO
CCn1ncnc1CNC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000330030221	537650560	/nfs/dbraw/zinc/65/05/60/537650560.db2.gz	RFXNPODKRTUHJL-IYBDPMFKSA-N	1	0	363.510	1.202	20	30		FDEDRO
CC(C)(C)[C@H]1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)C[C@H]1O	ZINC000290025939	537650917	/nfs/dbraw/zinc/65/09/17/537650917.db2.gz	TUWUEKPUNSVYRX-LSDHHAIUSA-N	1	0	351.472	1.456	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C1(c2cncc(Br)c2)CC1	ZINC000294095104	537657004	/nfs/dbraw/zinc/65/70/04/537657004.db2.gz	XUZJWKJYVHLUEN-UHFFFAOYSA-N	1	0	350.260	1.947	20	30		FDEDRO
CNS(=O)(=O)c1cccc(NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c1	ZINC000330749135	537660470	/nfs/dbraw/zinc/66/04/70/537660470.db2.gz	AUICVSFNPHYLBB-LBPRGKRZSA-N	1	0	352.460	1.571	20	30		FDEDRO
C[N@H+](C[C@H](O)CN1CCN(c2c(C#N)cnc3ccccc32)CC1)C1CC1	ZINC000290120789	537674517	/nfs/dbraw/zinc/67/45/17/537674517.db2.gz	YPHJUYJDUSJUID-SFHVURJKSA-N	1	0	365.481	1.684	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCc3cn[nH]c3)CC2)cc1	ZINC000291898905	537689235	/nfs/dbraw/zinc/68/92/35/537689235.db2.gz	MHJRBADDNFERHB-UHFFFAOYSA-N	1	0	352.442	1.741	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc(C#N)ccc1Cl	ZINC000285506688	537722457	/nfs/dbraw/zinc/72/24/57/537722457.db2.gz	FJUREVLFOWCZNX-MRXNPFEDSA-N	1	0	362.861	1.884	20	30		FDEDRO
CC[C@](C)(C#N)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000285560098	537730319	/nfs/dbraw/zinc/73/03/19/537730319.db2.gz	VHHRAVLTQLLUKZ-FXAWDEMLSA-N	1	0	356.470	1.940	20	30		FDEDRO
C#CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)cc1	ZINC000285637192	537739825	/nfs/dbraw/zinc/73/98/25/537739825.db2.gz	XONBUVZQABKHQL-YQQQUEKLSA-N	1	0	355.482	1.872	20	30		FDEDRO
C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000375833849	537778817	/nfs/dbraw/zinc/77/88/17/537778817.db2.gz	VNLRQDPIIGPAOT-PMACEKPBSA-N	1	0	372.513	1.398	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[NH+](C2CCC(C)CC2)CC1	ZINC000407954000	537812744	/nfs/dbraw/zinc/81/27/44/537812744.db2.gz	FEVMESAXHIYOJQ-AQFXKWCLSA-N	1	0	356.536	1.909	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1	ZINC000366710169	537828798	/nfs/dbraw/zinc/82/87/98/537828798.db2.gz	OUDBMPMIMIRDAS-BZSNNMDCSA-N	1	0	350.507	1.389	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)C(=O)N(CCC#N)c1ccccc1	ZINC000371793555	537831377	/nfs/dbraw/zinc/83/13/77/537831377.db2.gz	YKPDWRDLXLHLEU-QFBILLFUSA-N	1	0	356.470	1.775	20	30		FDEDRO
C=CC[C@H](CO)[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000371835674	537833321	/nfs/dbraw/zinc/83/33/21/537833321.db2.gz	URUCVRGBXWVGNG-OAHLLOKOSA-N	1	0	354.472	1.375	20	30		FDEDRO
N#CC1CCC(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1	ZINC000408425422	537847273	/nfs/dbraw/zinc/84/72/73/537847273.db2.gz	LEWYUBFVSYPDAM-UHFFFAOYSA-N	1	0	361.490	1.266	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)NC1CCC([NH3+])CC1	ZINC000418918694	537848852	/nfs/dbraw/zinc/84/88/52/537848852.db2.gz	JHWSLHFPNPSFQC-UHFFFAOYSA-N	1	0	360.483	1.294	20	30		FDEDRO
C[NH2+][C@@H](C)CNC(=O)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	ZINC000419036102	537903520	/nfs/dbraw/zinc/90/35/20/537903520.db2.gz	PHQANRLVJQVNCE-JEYLPNPQSA-N	1	0	358.442	1.089	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C[NH3+])CC(C)C)cc1	ZINC000414902832	537934383	/nfs/dbraw/zinc/93/43/83/537934383.db2.gz	YPGRLMDWJPQMMO-HNNXBMFYSA-N	1	0	368.503	1.988	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000367135159	537948514	/nfs/dbraw/zinc/94/85/14/537948514.db2.gz	IACDEHHJWQTUJY-RDJZCZTQSA-N	1	0	350.488	1.434	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)NCC1([NH+]2CCSCC2)CCCC1	ZINC000369192183	538002046	/nfs/dbraw/zinc/00/20/46/538002046.db2.gz	DVLSJVSBTZDBJT-HNNXBMFYSA-N	1	0	374.576	1.664	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](Cc2nnc3ccccn32)C1	ZINC000372804438	538034288	/nfs/dbraw/zinc/03/42/88/538034288.db2.gz	MGAHPJHLPWGSTO-HZPDHXFCSA-N	1	0	354.458	1.744	20	30		FDEDRO
C[NH+]1CCC(n2ccc(=NC(=O)NCCOc3ccc(C#N)cc3)[nH]2)CC1	ZINC000369658563	538046863	/nfs/dbraw/zinc/04/68/63/538046863.db2.gz	YCIHSTXGPKFPAH-UHFFFAOYSA-N	1	0	368.441	2.222	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)CC1	ZINC000369756246	538059958	/nfs/dbraw/zinc/05/99/58/538059958.db2.gz	DVPJKEZOPRQMKL-SFHVURJKSA-N	1	0	368.481	1.538	20	30		FDEDRO
CCCc1c(NC(=O)C(=O)NCC(C)(C)[NH3+])cnn1-c1cccc(C#N)c1	ZINC000415461579	538060512	/nfs/dbraw/zinc/06/05/12/538060512.db2.gz	CVGQGGVNSDQCQU-UHFFFAOYSA-N	1	0	368.441	1.488	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)NC[C@@]1(COC)CCC[NH2+]1	ZINC000415463254	538061776	/nfs/dbraw/zinc/06/17/76/538061776.db2.gz	BFWIJEVBNCOOGX-GOSISDBHSA-N	1	0	362.430	1.474	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@@H]4CC[N@@H+](C)[C@H]4C3)CC2)o1	ZINC000372979776	538073375	/nfs/dbraw/zinc/07/33/75/538073375.db2.gz	MNSZCJAUOGRGQQ-YOEHRIQHSA-N	1	0	357.458	1.624	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)c1	ZINC000415822483	538088600	/nfs/dbraw/zinc/08/86/00/538088600.db2.gz	MDJCIUCSALKTJH-KRWDZBQOSA-N	1	0	358.442	1.941	20	30		FDEDRO
N#Cc1c(N)n(-c2ccc(F)cc2)nc1CCCNC(=O)NCCCC[NH3+]	ZINC000418507040	538093690	/nfs/dbraw/zinc/09/36/90/538093690.db2.gz	IERARFGZGWIBAK-UHFFFAOYSA-N	1	0	373.436	1.436	20	30		FDEDRO
C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000418588615	538095912	/nfs/dbraw/zinc/09/59/12/538095912.db2.gz	IAWMHDGMTRBJOI-KBXCAEBGSA-N	1	0	369.469	1.916	20	30		FDEDRO
Cc1nc(CN2CCC[C@H]([NH2+][C@@H](C)C(=O)Nc3cccc(C#N)c3)C2)no1	ZINC000370979858	538096266	/nfs/dbraw/zinc/09/62/66/538096266.db2.gz	QNDZBKKRCNOXBA-GUYCJALGSA-N	1	0	368.441	1.831	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NC[C@H]1CCC[NH2+]C1	ZINC000419864839	538120452	/nfs/dbraw/zinc/12/04/52/538120452.db2.gz	AFFPTVOQFAYIQO-HNNXBMFYSA-N	1	0	360.414	1.225	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1	ZINC000419864841	538120579	/nfs/dbraw/zinc/12/05/79/538120579.db2.gz	AFFPTVOQFAYIQO-OAHLLOKOSA-N	1	0	360.414	1.225	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000419866514	538122759	/nfs/dbraw/zinc/12/27/59/538122759.db2.gz	ULGKXKXGCQMUAC-YZYRWKSTSA-N	1	0	366.465	1.684	20	30		FDEDRO
N#Cc1nc(-c2ccco2)oc1N1CC[NH+](C[C@@H]2CCNC(=O)CC2)CC1	ZINC000450517589	538137024	/nfs/dbraw/zinc/13/70/24/538137024.db2.gz	NWWHCUFRBREIGE-AWEZNQCLSA-N	1	0	369.425	1.845	20	30		FDEDRO
C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000439341960	538167531	/nfs/dbraw/zinc/16/75/31/538167531.db2.gz	AQWJQHRCXKYZIE-OAHLLOKOSA-N	1	0	358.442	1.860	20	30		FDEDRO
C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCNS(C)(=O)=O	ZINC000427117600	538174173	/nfs/dbraw/zinc/17/41/73/538174173.db2.gz	NININMBAUICXIW-UHFFFAOYSA-N	1	0	373.548	1.134	20	30		FDEDRO
COc1cc(CCNC(=O)[C@@H]([NH3+])CCCC#N)c([N+](=O)[O-])cc1OC	ZINC000424060102	538227342	/nfs/dbraw/zinc/22/73/42/538227342.db2.gz	GVTPVHHWVOYAOS-LBPRGKRZSA-N	1	0	350.375	1.292	20	30		FDEDRO
CC(C)[N@H+](C)CCNS(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000433347153	538229323	/nfs/dbraw/zinc/22/93/23/538229323.db2.gz	KYPJYCYLWKBVOA-UHFFFAOYSA-N	1	0	360.277	1.939	20	30		FDEDRO
CCC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)C(=O)N1CCc2sccc2C1	ZINC000424112339	538236287	/nfs/dbraw/zinc/23/62/87/538236287.db2.gz	JJAYTQFIMCCHHK-CABCVRRESA-N	1	0	362.499	1.939	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)C2CC2)cc1	ZINC000420164767	538246854	/nfs/dbraw/zinc/24/68/54/538246854.db2.gz	MHNZQBJSCOWDTH-UHFFFAOYSA-N	1	0	352.438	1.475	20	30		FDEDRO
C[N@H+](CCNC(=O)C(=O)Nc1ccc(C#N)cc1F)Cc1ccccc1	ZINC000433533171	538253246	/nfs/dbraw/zinc/25/32/46/538253246.db2.gz	JCROZDPCMSRRDF-UHFFFAOYSA-N	1	0	354.385	1.884	20	30		FDEDRO
C=CCCn1cc(C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)nn1	ZINC000424198384	538253304	/nfs/dbraw/zinc/25/33/04/538253304.db2.gz	PBMGFHQIPOPTEM-UHFFFAOYSA-N	1	0	370.457	1.391	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1	ZINC000420201450	538255006	/nfs/dbraw/zinc/25/50/06/538255006.db2.gz	FHQHNBAYZWDLNT-RCCFBDPRSA-N	1	0	371.481	1.714	20	30		FDEDRO
C[NH+](C)Cc1ccc(S(=O)(=O)NCCOc2ccc(C#N)cc2)cc1	ZINC000433871037	538282387	/nfs/dbraw/zinc/28/23/87/538282387.db2.gz	UXJRLDWTMGIZSZ-UHFFFAOYSA-N	1	0	359.451	1.977	20	30		FDEDRO
CC(C)[C@@H](CO)[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C(C)C	ZINC000451593428	538283212	/nfs/dbraw/zinc/28/32/12/538283212.db2.gz	HZANJQTXZLAEJJ-NVXWUHKLSA-N	1	0	353.488	1.606	20	30		FDEDRO
C[NH2+]C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1	ZINC000420415453	538288278	/nfs/dbraw/zinc/28/82/78/538288278.db2.gz	IHGPTMGOHCNEDP-SNVBAGLBSA-N	1	0	358.261	1.551	20	30		FDEDRO
COc1ccc([C@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)c2cccc(C#N)c2)cc1	ZINC000440867156	538288890	/nfs/dbraw/zinc/28/88/90/538288890.db2.gz	RVFTXYUEFFFYLL-MOPGFXCFSA-N	1	0	371.462	1.991	20	30		FDEDRO
C[C@]1(C[NH3+])CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1	ZINC000420424909	538291415	/nfs/dbraw/zinc/29/14/15/538291415.db2.gz	IJRAPWUYRPZQJV-CYBMUJFWSA-N	1	0	358.261	1.680	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])c1	ZINC000420429478	538294482	/nfs/dbraw/zinc/29/44/82/538294482.db2.gz	ZVRATRALQKOUSH-DZGCQCFKSA-N	1	0	351.472	1.350	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N(CC)CC(=O)NCc1cccs1	ZINC000451680429	538301497	/nfs/dbraw/zinc/30/14/97/538301497.db2.gz	LXSLEEFRUJMVCH-CVEARBPZSA-N	1	0	365.499	1.536	20	30		FDEDRO
N#C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2CS(=O)(=O)N2CCOCC2)C1	ZINC000442714559	538371086	/nfs/dbraw/zinc/37/10/86/538371086.db2.gz	KBGCCZQLYAGMCE-MAUKXSAKSA-N	1	0	363.483	1.630	20	30		FDEDRO
CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)c1	ZINC000442863272	538381455	/nfs/dbraw/zinc/38/14/55/538381455.db2.gz	XCGFTGQUCNBQQY-SGMGOOAPSA-N	1	0	350.444	1.204	20	30		FDEDRO
C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1	ZINC000423525377	538398808	/nfs/dbraw/zinc/39/88/08/538398808.db2.gz	KLJKCBRLJXNIGC-ZYSHUDEJSA-N	1	0	368.481	1.871	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000425873827	538414767	/nfs/dbraw/zinc/41/47/67/538414767.db2.gz	QIYLVSGMOXNYCH-ZBFHGGJFSA-N	1	0	354.454	1.678	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)C[C@@H]1CCOC1	ZINC000494557563	538559324	/nfs/dbraw/zinc/55/93/24/538559324.db2.gz	AUNUAQYHVGJFFQ-INIZCTEOSA-N	1	0	362.474	1.920	20	30		FDEDRO
CC[NH+](CC)CCN(CCOC)S(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000500934996	538581603	/nfs/dbraw/zinc/58/16/03/538581603.db2.gz	QFCDIKAXNJRFRF-UHFFFAOYSA-N	1	0	371.478	1.817	20	30		FDEDRO
Cc1cc(N2CCC([NH2+][C@H](C(N)=O)c3ccc(C#N)cc3)CC2)nc(C)n1	ZINC000494734636	538584354	/nfs/dbraw/zinc/58/43/54/538584354.db2.gz	HHMBKTXQRPXIBI-IBGZPJMESA-N	1	0	364.453	1.750	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2cccnc2OCCCC)CC1	ZINC000560652998	545569118	/nfs/dbraw/zinc/56/91/18/545569118.db2.gz	IGUQJIHBFAWTSY-UHFFFAOYSA-N	1	0	374.485	1.643	20	30		FDEDRO
N#Cc1c(NC(=O)CC[N@H+]2CCC[C@@](O)(CO)C2)sc2c1CCCC2	ZINC000459652363	538692459	/nfs/dbraw/zinc/69/24/59/538692459.db2.gz	QJXCQKYDVGVAFZ-SFHVURJKSA-N	1	0	363.483	1.646	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([NH2+][C@@H]3CCCC[C@@H]3N3CCOCC3)C2=O)cc1	ZINC000560704173	545584897	/nfs/dbraw/zinc/58/48/97/545584897.db2.gz	ROSUYYMXNJQKBB-AABGKKOBSA-N	1	0	368.481	1.897	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCC#Cc2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000485374017	538838945	/nfs/dbraw/zinc/83/89/45/538838945.db2.gz	DVXFWHDGSLDPFL-UYAOXDASSA-N	1	0	354.498	1.706	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1	ZINC000476448871	538868127	/nfs/dbraw/zinc/86/81/27/538868127.db2.gz	VSXSQAJJXYWVPQ-KRWDZBQOSA-N	1	0	373.453	1.659	20	30		FDEDRO
C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NCC(=O)NCC#N)C1	ZINC000561499731	545876432	/nfs/dbraw/zinc/87/64/32/545876432.db2.gz	TZJIPHWZBCCTJS-HOTGVXAUSA-N	1	0	371.485	1.603	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1	ZINC000561690631	545928994	/nfs/dbraw/zinc/92/89/94/545928994.db2.gz	IRWCVBVJTAXCGC-UHFFFAOYSA-N	1	0	351.491	1.561	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1	ZINC000562987483	546342915	/nfs/dbraw/zinc/34/29/15/546342915.db2.gz	XQLQZLKLWXNWQU-KRWDZBQOSA-N	1	0	356.426	1.828	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3CCC(CC[NH3+])CC3)n2)c(F)c1	ZINC000563290037	546479639	/nfs/dbraw/zinc/47/96/39/546479639.db2.gz	ZQBKOOPOCFRILN-UHFFFAOYSA-N	1	0	356.405	2.476	20	30		FDEDRO
CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2cc(C)c(C#N)cn2)c1	ZINC000563384706	546511321	/nfs/dbraw/zinc/51/13/21/546511321.db2.gz	IZBAFORSGXHBKF-UHFFFAOYSA-N	1	0	365.437	1.968	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000563384207	546511470	/nfs/dbraw/zinc/51/14/70/546511470.db2.gz	DSQKVCREZUEHAV-MRXNPFEDSA-N	1	0	366.469	1.777	20	30		FDEDRO
CC(C)[NH2+]CCCNC(=O)C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	ZINC000563648509	546631344	/nfs/dbraw/zinc/63/13/44/546631344.db2.gz	YKGRNUBJMYZRKE-QZTJIDSGSA-N	1	0	356.470	1.789	20	30		FDEDRO
COc1cc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)ccc1C#N	ZINC000563809951	546692747	/nfs/dbraw/zinc/69/27/47/546692747.db2.gz	DIPUHJAZQCAZJG-OAHLLOKOSA-N	1	0	358.419	1.891	20	30		FDEDRO
COc1cc(C#N)ccc1OCCN1C(=O)N[C@@]2(CCCC[C@@H]2C[NH3+])C1=O	ZINC000563883854	546721771	/nfs/dbraw/zinc/72/17/71/546721771.db2.gz	XPSPANSXAFNSKH-AUUYWEPGSA-N	1	0	372.425	1.385	20	30		FDEDRO
CCCC[N@H+](C)CCNC(=O)N1CCN(c2snc(C)c2C#N)CC1	ZINC000564260583	546862023	/nfs/dbraw/zinc/86/20/23/546862023.db2.gz	DNJSWXXNXXYMRI-UHFFFAOYSA-N	1	0	364.519	1.887	20	30		FDEDRO
C[C@H]1CCC[C@@](CNC(=O)C(=O)NCc2ccc(CC#N)cc2)([NH+](C)C)C1	ZINC000564450756	546917634	/nfs/dbraw/zinc/91/76/34/546917634.db2.gz	YWOFRYFUFFSBSZ-HRAATJIYSA-N	1	0	370.497	1.996	20	30		FDEDRO
Cc1ccc(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)cc1S(C)(=O)=O	ZINC000564651392	546989066	/nfs/dbraw/zinc/98/90/66/546989066.db2.gz	NQCZZEXISSECSO-QGZVFWFLSA-N	1	0	374.462	1.800	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCc2cnc(C3CC3)nc2)nc1	ZINC000564850403	547066185	/nfs/dbraw/zinc/06/61/85/547066185.db2.gz	YWCBFNRFQQPIQL-UHFFFAOYSA-N	1	0	357.439	1.227	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](C(=O)NC[C@]3(O)C[NH+]4CCC3CC4)C2)c(F)c1	ZINC000565194280	547247001	/nfs/dbraw/zinc/24/70/01/547247001.db2.gz	CHZSIHNQSHTUQW-QRWLVFNGSA-N	1	0	372.444	1.097	20	30		FDEDRO
COC(=O)c1ccc(NCc2cccnc2N2CC[NH+](C)CC2)c(C#N)n1	ZINC000565224089	547262204	/nfs/dbraw/zinc/26/22/04/547262204.db2.gz	ZTOVASDGJIDGDW-UHFFFAOYSA-N	1	0	366.425	1.499	20	30		FDEDRO
CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1	ZINC000565942322	547539700	/nfs/dbraw/zinc/53/97/00/547539700.db2.gz	YEKLWUPMCIDJKX-OAHLLOKOSA-N	1	0	357.458	1.099	20	30		FDEDRO
CC[NH+]1CCC(N2CCCN(C(=O)Nc3cccc(C#N)n3)CC2)CC1	ZINC000566067154	547587288	/nfs/dbraw/zinc/58/72/88/547587288.db2.gz	KBWGWEQNUFGTCH-UHFFFAOYSA-N	1	0	356.474	1.977	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)cc1	ZINC000566106766	547606236	/nfs/dbraw/zinc/60/62/36/547606236.db2.gz	ZHQMRRLTJOWYQN-CVEARBPZSA-N	1	0	371.403	1.966	20	30		FDEDRO
CCOC(=O)CC[C@@H](O)C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000566131958	547618843	/nfs/dbraw/zinc/61/88/43/547618843.db2.gz	HUUJMUKKQLFFNS-SJORKVTESA-N	1	0	359.426	1.347	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccc(CC#N)cc3)CC[C@H]21	ZINC000566738577	547870013	/nfs/dbraw/zinc/87/00/13/547870013.db2.gz	YVBALDNGAIBSPR-ZWKOTPCHSA-N	1	0	354.454	1.312	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N(C)CC(=O)NCc2ccccc2)CC1	ZINC000566921729	547932419	/nfs/dbraw/zinc/93/24/19/547932419.db2.gz	CLUWDNRLDRRWET-UHFFFAOYSA-N	1	0	358.486	1.985	20	30		FDEDRO
CCC[N@H+](CC)C[C@H](C)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1	ZINC000567007017	547960981	/nfs/dbraw/zinc/96/09/81/547960981.db2.gz	GZEXIOQRFCXDAT-AWEZNQCLSA-N	1	0	366.487	1.073	20	30		FDEDRO
CCCCS(=O)(=O)c1ccc(C(=O)NC2(C#N)CC[NH+](C)CC2)cc1	ZINC000567058192	547981066	/nfs/dbraw/zinc/98/10/66/547981066.db2.gz	LBHCBUGRMLNLRH-UHFFFAOYSA-N	1	0	363.483	1.978	20	30		FDEDRO
C[NH2+]Cc1cccc(NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1	ZINC000567094897	547992376	/nfs/dbraw/zinc/99/23/76/547992376.db2.gz	ANFPJJWIXJOIKP-UHFFFAOYSA-N	1	0	367.457	1.674	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]Cc1cc2c(cc1OC(F)F)OCO2	ZINC000567684876	548212218	/nfs/dbraw/zinc/21/22/18/548212218.db2.gz	PVAALQUCYJYOJJ-LBPRGKRZSA-N	1	0	357.357	1.313	20	30		FDEDRO
Cn1nccc1N1CCC[C@@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000567700387	548219098	/nfs/dbraw/zinc/21/90/98/548219098.db2.gz	KZOGQMKGHPYNEB-SJORKVTESA-N	1	0	355.442	1.290	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1	ZINC000567765056	548248297	/nfs/dbraw/zinc/24/82/97/548248297.db2.gz	GYYQZVGHCBSBCJ-INIZCTEOSA-N	1	0	370.457	1.100	20	30		FDEDRO
CN(C)c1noc([C@@H]2CCC[N@H+](C[C@H]3CNc4c(C#N)cnn4C3)C2)n1	ZINC000567889144	548310303	/nfs/dbraw/zinc/31/03/03/548310303.db2.gz	ZHWQEULBXMUVSR-CHWSQXEVSA-N	1	0	356.434	1.125	20	30		FDEDRO
C[C@@H]1CC[N@H+](C)CCN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000568463683	548545668	/nfs/dbraw/zinc/54/56/68/548545668.db2.gz	WQSAMAFFHHWAMC-CRAIPNDOSA-N	1	0	369.469	1.395	20	30		FDEDRO
CS(=O)(=O)CC1(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)CCC1	ZINC000568740288	548660084	/nfs/dbraw/zinc/66/00/84/548660084.db2.gz	DWFYRIWKCIKMRN-HNNXBMFYSA-N	1	0	352.456	1.102	20	30		FDEDRO
C[C@@H]1CN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1	ZINC000568753334	548665686	/nfs/dbraw/zinc/66/56/86/548665686.db2.gz	OLDIYMBUMBVTJW-CRAIPNDOSA-N	1	0	357.458	1.924	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)c(C#N)cn2)C1	ZINC000568777737	548677521	/nfs/dbraw/zinc/67/75/21/548677521.db2.gz	GPYKOLLOBBYKAC-MRXNPFEDSA-N	1	0	373.457	1.160	20	30		FDEDRO
CCS(=O)(=O)c1cccc(C[NH2+]C[C@H]2CNc3c(C#N)cnn3C2)c1	ZINC000568866768	548712094	/nfs/dbraw/zinc/71/20/94/548712094.db2.gz	MNSVJQBCYKTFII-AWEZNQCLSA-N	1	0	359.455	1.380	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC[C@H]1CCC[N@H+](C)C1	ZINC000569205872	548832517	/nfs/dbraw/zinc/83/25/17/548832517.db2.gz	OVNVAOQZWPUQCO-HZPDHXFCSA-N	1	0	371.489	1.300	20	30		FDEDRO
CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000569568774	548962555	/nfs/dbraw/zinc/96/25/55/548962555.db2.gz	ONUUJHIZBDYHCP-HUTRQKEOSA-N	1	0	350.484	1.967	20	30		FDEDRO
CSc1ccc([C@@H](CNC(=O)[C@H](C)n2cnc(C#N)n2)[NH+](C)C)cc1	ZINC000569959945	549110685	/nfs/dbraw/zinc/11/06/85/549110685.db2.gz	FDYRWMHYVZVBNW-SWLSCSKDSA-N	1	0	358.471	1.852	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1	ZINC000570446004	549281915	/nfs/dbraw/zinc/28/19/15/549281915.db2.gz	KEXDUXVVRROPTD-KRWDZBQOSA-N	1	0	364.877	1.884	20	30		FDEDRO
N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1	ZINC000570464084	549289664	/nfs/dbraw/zinc/28/96/64/549289664.db2.gz	LAHBWUYMXFOALK-GWCFXTLKSA-N	1	0	359.792	1.647	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C	ZINC000570759497	549399342	/nfs/dbraw/zinc/39/93/42/549399342.db2.gz	QIAFQVWJJPPXLO-VQIMIIECSA-N	1	0	355.482	1.843	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC(=O)N(C(C)C)C2)c(OC)c1	ZINC000570920301	549459530	/nfs/dbraw/zinc/45/95/30/549459530.db2.gz	GGSKVSIOWCTKJE-IAGOWNOFSA-N	1	0	362.470	1.762	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@@H](N4CCOCC4)C3)C2=O)cc1	ZINC000571057115	549510223	/nfs/dbraw/zinc/51/02/23/549510223.db2.gz	JPNSQHNIRKRDNQ-UXHICEINSA-N	1	0	368.481	1.850	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@H]3CCc4[nH]cnc4C3)C2)nc1	ZINC000571140341	549538616	/nfs/dbraw/zinc/53/86/16/549538616.db2.gz	BXUMIEAZPSCANR-UONOGXRCSA-N	1	0	352.398	1.397	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC[NH+](C)C	ZINC000571142805	549539631	/nfs/dbraw/zinc/53/96/31/549539631.db2.gz	IDQZNQLUQODPAW-QRVBRYPASA-N	1	0	371.481	1.209	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]C2CCN(CC(F)(F)F)CC2)cc1	ZINC000571432403	549643619	/nfs/dbraw/zinc/64/36/19/549643619.db2.gz	CFRVJKHXSQRTLT-OAHLLOKOSA-N	1	0	357.376	1.914	20	30		FDEDRO
N#Cc1c(CN2C(=O)N[C@]3(CCCC[C@H]3C[NH3+])C2=O)cn2ccccc12	ZINC000571878968	549789845	/nfs/dbraw/zinc/78/98/45/549789845.db2.gz	XAYINEXOCKARRO-LIRRHRJNSA-N	1	0	351.410	1.750	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]CCc2ccc3c(c2)OCCO3)cc1	ZINC000572621134	549957847	/nfs/dbraw/zinc/95/78/47/549957847.db2.gz	GHRRIJBONNDWQP-QGZVFWFLSA-N	1	0	354.406	1.901	20	30		FDEDRO
N#Cc1ncn(CC(=O)N2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)n1	ZINC000572731452	549982433	/nfs/dbraw/zinc/98/24/33/549982433.db2.gz	ZOZJPUVTVWGOHT-IAGOWNOFSA-N	1	0	352.442	1.348	20	30		FDEDRO
N#Cc1ccc(NC(=O)CCN2CCC(CO)([NH2+]CC3CC3)CC2)cc1	ZINC000572769320	549990880	/nfs/dbraw/zinc/99/08/80/549990880.db2.gz	WOFFPRJMDSYBHQ-UHFFFAOYSA-N	1	0	356.470	1.713	20	30		FDEDRO
COc1cc(C[NH2+]Cc2ccc(CC#N)cc2)cc(OC)c1OCC(N)=O	ZINC000573000180	550042391	/nfs/dbraw/zinc/04/23/91/550042391.db2.gz	SAGKFDLEXHKHMX-UHFFFAOYSA-N	1	0	369.421	1.924	20	30		FDEDRO
CCC1(CC)[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C[C@@H]1OC	ZINC000573478968	550147416	/nfs/dbraw/zinc/14/74/16/550147416.db2.gz	DULQUUNFGBJOBK-GJZGRUSLSA-N	1	0	351.472	1.910	20	30		FDEDRO
C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C[C@H]2C1	ZINC000573655577	550185291	/nfs/dbraw/zinc/18/52/91/550185291.db2.gz	XAHSVYJYRZIGCI-SOUVJXGZSA-N	1	0	372.856	1.585	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2	ZINC000573674046	550189265	/nfs/dbraw/zinc/18/92/65/550189265.db2.gz	PILVWQMNJZLCLB-KGLIPLIRSA-N	1	0	361.398	1.429	20	30		FDEDRO
C[NH+](C)CCN(CC(=O)NCc1ccc(C#N)cc1)Cc1ccccn1	ZINC000573979376	550241139	/nfs/dbraw/zinc/24/11/39/550241139.db2.gz	NTTBXFCBDXDPOS-UHFFFAOYSA-N	1	0	351.454	1.633	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC[C@H]1[NH2+]CCCC1(C)C	ZINC000574740867	550362681	/nfs/dbraw/zinc/36/26/81/550362681.db2.gz	RACZTYKDXDSQNH-OAHLLOKOSA-N	1	0	367.457	2.347	20	30		FDEDRO
CS(=O)(=O)C1(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCCC1	ZINC000574751215	550364271	/nfs/dbraw/zinc/36/42/71/550364271.db2.gz	PRYSYWXJXPPVCS-UHFFFAOYSA-N	1	0	370.496	1.279	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1	ZINC000574988887	550405065	/nfs/dbraw/zinc/40/50/65/550405065.db2.gz	SYIPBHPRUUUWOA-STQMWFEESA-N	1	0	364.427	1.477	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1	ZINC000575029290	550412004	/nfs/dbraw/zinc/41/20/04/550412004.db2.gz	AHZQYTNECXONMB-ROUUACIJSA-N	1	0	365.518	1.712	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)cc1	ZINC000575378032	550459330	/nfs/dbraw/zinc/45/93/30/550459330.db2.gz	YRIKNLQYSZLRJK-HIFRSBDPSA-N	1	0	371.359	1.245	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O	ZINC000575743023	550471035	/nfs/dbraw/zinc/47/10/35/550471035.db2.gz	QNZRFGZTBWFPCZ-MSOLQXFVSA-N	1	0	370.453	1.283	20	30		FDEDRO
C[N@@H+]1CCC[C@H](CCNC(=O)N2CCN(c3cnccc3C#N)CC2)C1	ZINC000576206130	550522652	/nfs/dbraw/zinc/52/26/52/550522652.db2.gz	CAAPLFCXWMWIKT-MRXNPFEDSA-N	1	0	356.474	1.517	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1	ZINC000576288089	550532346	/nfs/dbraw/zinc/53/23/46/550532346.db2.gz	ABEFOOIIPIISRV-OXJNMPFZSA-N	1	0	373.453	1.691	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@H](C)[C@@H](OC)C1)C(C)C	ZINC000577205404	550632031	/nfs/dbraw/zinc/63/20/31/550632031.db2.gz	CRUCVUUNXXZYKB-KSZLIROESA-N	1	0	365.518	1.685	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(CC#N)cc2)C[C@H]1C	ZINC000577395784	550651913	/nfs/dbraw/zinc/65/19/13/550651913.db2.gz	URQLNFGLDJEDDI-CRAIPNDOSA-N	1	0	356.470	1.700	20	30		FDEDRO
CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NCC3(C#N)CC3)c2)CC1	ZINC000577451721	550657306	/nfs/dbraw/zinc/65/73/06/550657306.db2.gz	RYNYDOLRSQDDOD-UHFFFAOYSA-N	1	0	369.469	1.575	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)C(=O)NC[C@H]1CCS(=O)(=O)C1	ZINC000577667020	550681296	/nfs/dbraw/zinc/68/12/96/550681296.db2.gz	WKAYGBXHPRJRPM-DXCKQFNASA-N	1	0	361.467	1.075	20	30		FDEDRO
COc1ccc([C@H]2OCC[C@@H]2[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)cn1	ZINC000577743322	550690131	/nfs/dbraw/zinc/69/01/31/550690131.db2.gz	LYWUKTIVKVLTMT-IMFGXOCKSA-N	1	0	369.421	1.821	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C[C@H](O)COc1ccc(Oc2ccccc2)cc1	ZINC000578880867	550811607	/nfs/dbraw/zinc/81/16/07/550811607.db2.gz	LWCIHAJAAFXTQJ-HNNXBMFYSA-N	1	0	355.394	1.448	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000578950805	550818125	/nfs/dbraw/zinc/81/81/25/550818125.db2.gz	OYTSAMWGNLQHJP-SJORKVTESA-N	1	0	357.458	1.846	20	30		FDEDRO
CSC[C@H](C)C(=O)N1CCC(C(=O)N[C@](C)(C#N)CN(C)C)CC1	ZINC000579598629	550891000	/nfs/dbraw/zinc/89/10/00/550891000.db2.gz	MDMXJRDJNLMXCG-SUMWQHHRSA-N	1	0	354.520	1.184	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)N(C3CC3)[C@H]3CC[NH2+]C3)C2=O)cc1	ZINC000580420336	550980162	/nfs/dbraw/zinc/98/01/62/550980162.db2.gz	RKWHKRUZOWYSPT-ZWKOTPCHSA-N	1	0	367.453	1.590	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+][C@@H]3CC(=O)N([C@@H]4C[C@@H]4c4ccccc4)C3)cnc12	ZINC000580646550	551004360	/nfs/dbraw/zinc/00/43/60/551004360.db2.gz	LSCGSTBUUSHVFZ-GUDVDZBRSA-N	1	0	372.432	1.848	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+]C2CCN(OC)CC2)c(OC)c1	ZINC000580829132	551022870	/nfs/dbraw/zinc/02/28/70/551022870.db2.gz	YZWVNOKUGKEARD-QGZVFWFLSA-N	1	0	350.459	1.779	20	30		FDEDRO
C[C@@H]1CN(C[C@H](O)C[N@H+](C)CCOCc2ccc(C#N)cc2)C[C@H](C)O1	ZINC000580975865	551039278	/nfs/dbraw/zinc/03/92/78/551039278.db2.gz	MDRVXSFNLWVELA-FUHIMQAGSA-N	1	0	361.486	1.477	20	30		FDEDRO
C[C@@H]1CN(C[C@@H](O)C[N@H+](C)CCOCc2ccc(C#N)cc2)C[C@@H](C)O1	ZINC000580975866	551039285	/nfs/dbraw/zinc/03/92/85/551039285.db2.gz	MDRVXSFNLWVELA-HLIPFELVSA-N	1	0	361.486	1.477	20	30		FDEDRO
CC(=O)NCCN(Cc1ccsc1)Cc1cnc2c(C#N)cnn2c1	ZINC000581251636	551068442	/nfs/dbraw/zinc/06/84/42/551068442.db2.gz	ZDTSZMBRDGLXJL-UHFFFAOYSA-N	1	0	354.439	1.801	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)NCC3CC[NH2+]CC3)C2)c(F)c1	ZINC000581299679	551073456	/nfs/dbraw/zinc/07/34/56/551073456.db2.gz	UMIUAEAQFUTQQW-MRXNPFEDSA-N	1	0	359.449	1.965	20	30		FDEDRO
C=CCn1cc(CNC(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)nn1	ZINC000581492916	551095709	/nfs/dbraw/zinc/09/57/09/551095709.db2.gz	XDJQTSVNSNWQIP-IBGZPJMESA-N	1	0	354.458	1.928	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C	ZINC000581718227	551126851	/nfs/dbraw/zinc/12/68/51/551126851.db2.gz	BJEPBAJINBDGBF-CJNGLKHVSA-N	1	0	356.426	1.591	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2ccc(CN3CCOCC3)cn2)CC1	ZINC000582516425	551235163	/nfs/dbraw/zinc/23/51/63/551235163.db2.gz	GFUPJDMZDUPGEV-UHFFFAOYSA-N	1	0	358.486	1.684	20	30		FDEDRO
Cn1nnc2cc(C[NH2+][C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc21	ZINC000583000010	551289445	/nfs/dbraw/zinc/28/94/45/551289445.db2.gz	PKPJSJGAUKGJEF-KRWDZBQOSA-N	1	0	360.421	1.731	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCCc3cc(C#N)ccc32)C1	ZINC000583389114	551344339	/nfs/dbraw/zinc/34/43/39/551344339.db2.gz	BBASTPGGKMAJSH-LJQANCHMSA-N	1	0	370.497	1.784	20	30		FDEDRO
CC(C)[C@@](C)(CO)[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000583410557	551347566	/nfs/dbraw/zinc/34/75/66/551347566.db2.gz	UHPFZEUJJDTIRC-CRAIPNDOSA-N	1	0	364.515	1.454	20	30		FDEDRO
C=CCCCNC(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000583637310	551380785	/nfs/dbraw/zinc/38/07/85/551380785.db2.gz	NDULEUDELWZRFY-HZPDHXFCSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+]C2CCC(C(N)=O)CC2)c(OC)c1	ZINC000583688528	551387996	/nfs/dbraw/zinc/38/79/96/551387996.db2.gz	NMEZHQVQTIARER-JCYILVPMSA-N	1	0	362.470	1.797	20	30		FDEDRO
CCC(CC)[C@@H](CNS(=O)(=O)CC1(CC#N)CC1)N1CCOCC1	ZINC000583837877	551408746	/nfs/dbraw/zinc/40/87/46/551408746.db2.gz	GUHJDATZVBDEBM-MRXNPFEDSA-N	1	0	357.520	1.737	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2ccc(CC#N)cc2)CC1	ZINC000583868835	551413228	/nfs/dbraw/zinc/41/32/28/551413228.db2.gz	MLCGOFXYGVUPOR-GOSISDBHSA-N	1	0	369.469	1.201	20	30		FDEDRO
C[NH+](C)[C@H]1CN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C[C@@H]1O	ZINC000584062201	551441584	/nfs/dbraw/zinc/44/15/84/551441584.db2.gz	IEKLMAUCMXBMAV-ROUUACIJSA-N	1	0	360.433	1.047	20	30		FDEDRO
C=CCn1c([C@@H]2CCCO2)nnc1N1CC[NH+](CC2CCOCC2)CC1	ZINC000584214164	551464507	/nfs/dbraw/zinc/46/45/07/551464507.db2.gz	ALLMNXGRFUFDJI-KRWDZBQOSA-N	1	0	361.490	1.864	20	30		FDEDRO
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC[C@H]([NH+]2CCOCC2)CC1	ZINC000585718610	551587162	/nfs/dbraw/zinc/58/71/62/551587162.db2.gz	ONMQNUKIFFRXOB-RBUKOAKNSA-N	1	0	357.454	1.959	20	30		FDEDRO
C[N@H+](CCNC(=O)C(=O)NCc1ccc(C#N)cc1F)Cc1ccccc1	ZINC000585776119	551597582	/nfs/dbraw/zinc/59/75/82/551597582.db2.gz	FXUPGUMKRPQRIM-UHFFFAOYSA-N	1	0	368.412	1.562	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)c1cccc(C#N)c1	ZINC000585777645	551598239	/nfs/dbraw/zinc/59/82/39/551598239.db2.gz	MBVYJJKFEYXPIW-OWCLPIDISA-N	1	0	356.470	1.972	20	30		FDEDRO
C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCc1ccc(C#N)cc1F	ZINC000585777723	551598403	/nfs/dbraw/zinc/59/84/03/551598403.db2.gz	RLKLRVIOBOQCFN-KFWWJZLASA-N	1	0	374.460	1.796	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1	ZINC000587248441	551631478	/nfs/dbraw/zinc/63/14/78/551631478.db2.gz	VDCBZOGWGZEMHJ-IAGOWNOFSA-N	1	0	374.460	1.751	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000588224554	551660198	/nfs/dbraw/zinc/66/01/98/551660198.db2.gz	LDRLJFQZLNVVPO-MAUKXSAKSA-N	1	0	354.454	1.672	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CCCC(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1	ZINC000588860575	551693780	/nfs/dbraw/zinc/69/37/80/551693780.db2.gz	ITPQNOVVFKRRFC-SJORKVTESA-N	1	0	370.453	1.335	20	30		FDEDRO
CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H]3CCN(c4ccc(C#N)cc4)C3=O)[C@@H]2C1	ZINC000589053727	551707089	/nfs/dbraw/zinc/70/70/89/551707089.db2.gz	ZKIWNKOHGDDIRV-RNQOJCNYSA-N	1	0	366.465	1.900	20	30		FDEDRO
CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H]3CCN(c4ccc(C#N)cc4)C3=O)[C@H]2C1	ZINC000589053725	551707269	/nfs/dbraw/zinc/70/72/69/551707269.db2.gz	ZKIWNKOHGDDIRV-LEAZDLGRSA-N	1	0	366.465	1.900	20	30		FDEDRO
N#Cc1cccc(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)n1	ZINC000589433808	551730204	/nfs/dbraw/zinc/73/02/04/551730204.db2.gz	DXTUWLODHGTCGY-UHFFFAOYSA-N	1	0	350.422	1.840	20	30		FDEDRO
N#Cc1ncn(CC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)n1	ZINC000589980820	551754681	/nfs/dbraw/zinc/75/46/81/551754681.db2.gz	TVXWWRVEMOQNOI-DLBZAZTESA-N	1	0	350.426	1.130	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CC[C@H]2C[N@H+](C)C[C@H]21	ZINC000590010743	551757086	/nfs/dbraw/zinc/75/70/86/551757086.db2.gz	UBMUTXOHCIVERD-FUHWJXTLSA-N	1	0	373.501	1.588	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1	ZINC000590254514	551767765	/nfs/dbraw/zinc/76/77/65/551767765.db2.gz	JACLGESQBZUBOG-GOSISDBHSA-N	1	0	355.486	1.476	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3cccc(OCCCC#N)c3)[C@@H]2C1	ZINC000590278456	551769170	/nfs/dbraw/zinc/76/91/70/551769170.db2.gz	GKZMUANTNJMOHY-WMLDXEAASA-N	1	0	356.426	1.470	20	30		FDEDRO
N#CCCn1ncc(C(=O)N[C@@H](CO)C[NH+]2CCCC2)c1-c1ccccc1	ZINC000590371641	551776531	/nfs/dbraw/zinc/77/65/31/551776531.db2.gz	PLDLDIVLMVBAMR-QGZVFWFLSA-N	1	0	367.453	1.650	20	30		FDEDRO
CC(C)C[C@H](NC(=O)C1(C#N)CCOCC1)C(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000590397858	551779999	/nfs/dbraw/zinc/77/99/99/551779999.db2.gz	HUAFTOHVUXIZRQ-CVEARBPZSA-N	1	0	364.490	1.000	20	30		FDEDRO
CC(C)[N@H+](C)C[C@H](O)CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000590603950	551797898	/nfs/dbraw/zinc/79/78/98/551797898.db2.gz	TZUSTSCQHFOCJJ-HNNXBMFYSA-N	1	0	373.457	1.629	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1	ZINC000590781918	551815979	/nfs/dbraw/zinc/81/59/79/551815979.db2.gz	KOMAQKBFJOJGGF-SFHVURJKSA-N	1	0	369.469	1.044	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)C3C[NH+](C4CCCCC4)C3)CC2)n1	ZINC000590910253	551826255	/nfs/dbraw/zinc/82/62/55/551826255.db2.gz	YSLRGHRPLYVRKM-UHFFFAOYSA-N	1	0	353.470	1.866	20	30		FDEDRO
C[N@@H+]1CCC[C@H](CCNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000590921930	551826838	/nfs/dbraw/zinc/82/68/38/551826838.db2.gz	XLTNIOPXFYHYKX-MRXNPFEDSA-N	1	0	370.501	1.953	20	30		FDEDRO
N#Cc1ccc(CNC(=O)NC[C@@H]2CCCC[N@H+]2CCO)cc1Cl	ZINC000590941069	551828383	/nfs/dbraw/zinc/82/83/83/551828383.db2.gz	DCBRUHJMTUGIDF-HNNXBMFYSA-N	1	0	350.850	1.858	20	30		FDEDRO
C[NH+](C)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CC1(C#N)CC1	ZINC000590978830	551832009	/nfs/dbraw/zinc/83/20/09/551832009.db2.gz	JCGMTYDXSGXESS-KRWDZBQOSA-N	1	0	354.454	1.312	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)ccc1OCC[NH+](C)C	ZINC000591023304	551836652	/nfs/dbraw/zinc/83/66/52/551836652.db2.gz	XPFWVFGHFHOUBM-GOSISDBHSA-N	1	0	362.405	1.338	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000591282552	551855828	/nfs/dbraw/zinc/85/58/28/551855828.db2.gz	BUYVBRYYXIUNNM-SJORKVTESA-N	1	0	369.469	1.979	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)n1	ZINC000591297519	551857931	/nfs/dbraw/zinc/85/79/31/551857931.db2.gz	YWJRXZPQGOFGIB-WFASDCNBSA-N	1	0	354.389	2.099	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[NH2+][C@@H](C(C)C)C1	ZINC000591302941	551858837	/nfs/dbraw/zinc/85/88/37/551858837.db2.gz	GMOXOHSXOWUWKL-MRXNPFEDSA-N	1	0	358.442	1.740	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1C#N	ZINC000591305162	551859674	/nfs/dbraw/zinc/85/96/74/551859674.db2.gz	WTHJJRIOVOSIOH-CJNGLKHVSA-N	1	0	356.426	1.494	20	30		FDEDRO
C[C@@H]([NH3+])[C@H]1CN(C(=O)Nc2ccc(C#N)c(Br)c2)CCO1	ZINC000591306583	551859795	/nfs/dbraw/zinc/85/97/95/551859795.db2.gz	QMZVEHZQSJWTKR-NOZJJQNGSA-N	1	0	353.220	1.901	20	30		FDEDRO
CCCC[C@@H](C[NH3+])NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000591359785	551865912	/nfs/dbraw/zinc/86/59/12/551865912.db2.gz	MDHQTDXXKQAURG-AWEZNQCLSA-N	1	0	360.462	1.773	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)c1cccc(C#N)c1	ZINC000591404268	551868156	/nfs/dbraw/zinc/86/81/56/551868156.db2.gz	KFHBUFMGGSVRTB-HNNXBMFYSA-N	1	0	350.422	1.723	20	30		FDEDRO
CN(C[C@H]1CCC[N@@H+]1C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000591470469	551872888	/nfs/dbraw/zinc/87/28/88/551872888.db2.gz	VSPNHIUDXOZSDJ-QGZVFWFLSA-N	1	0	356.474	1.658	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1	ZINC000591574905	551880699	/nfs/dbraw/zinc/88/06/99/551880699.db2.gz	PTWNTVINPMAZFS-ZWKOTPCHSA-N	1	0	354.454	1.507	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[NH2+][C@@H](C(C)C)C1	ZINC000591576852	551880794	/nfs/dbraw/zinc/88/07/94/551880794.db2.gz	JJGQBRKJSRQPCN-GOSISDBHSA-N	1	0	354.454	1.529	20	30		FDEDRO
COc1cccc2c1OC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C2	ZINC000591733877	551904917	/nfs/dbraw/zinc/90/49/17/551904917.db2.gz	YPNMLRZHHGGPLZ-INIZCTEOSA-N	1	0	372.446	1.934	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000591742481	551905478	/nfs/dbraw/zinc/90/54/78/551905478.db2.gz	NUYOPVUAPQPYED-HZPDHXFCSA-N	1	0	363.483	1.569	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)cc1	ZINC000591756535	551906371	/nfs/dbraw/zinc/90/63/71/551906371.db2.gz	AXRVAUBKDYECRO-WBVHZDCISA-N	1	0	366.508	1.976	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCOC3(CCOCC3)C2)cc1	ZINC000591756641	551906405	/nfs/dbraw/zinc/90/64/05/551906405.db2.gz	LDDXQQWTKFBFCD-ROUUACIJSA-N	1	0	360.454	1.810	20	30		FDEDRO
C[C@H]1CN(CCC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCCO1	ZINC000591763559	551907001	/nfs/dbraw/zinc/90/70/01/551907001.db2.gz	FBUQTXLDXCDBSK-INIZCTEOSA-N	1	0	365.499	1.422	20	30		FDEDRO
CC(=O)N1CCC[N@@H+]([C@H]2CN(c3ncc4c(c3C#N)CCC4)C[C@@H]2C)CC1	ZINC000591821313	551910047	/nfs/dbraw/zinc/91/00/47/551910047.db2.gz	CCBNNWSOPZFFOT-YWZLYKJASA-N	1	0	367.497	1.821	20	30		FDEDRO
C[NH+]1CCC(CNc2ncc3c(c2C#N)CCC3)(N2CCOCC2)CC1	ZINC000591825693	551910328	/nfs/dbraw/zinc/91/03/28/551910328.db2.gz	KZSSJPBFEDDKSL-UHFFFAOYSA-N	1	0	355.486	1.650	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNc2c(C#N)cnc3ccc(OC)cc32)CC1	ZINC000591895939	551914164	/nfs/dbraw/zinc/91/41/64/551914164.db2.gz	DGARZAAISGVHKZ-OAHLLOKOSA-N	1	0	353.470	1.975	20	30		FDEDRO
COc1ccccc1[C@H](CNC(=O)N1CC[C@](O)(CC#N)C1)[NH+]1CCCC1	ZINC000591896968	551914184	/nfs/dbraw/zinc/91/41/84/551914184.db2.gz	VORUSYTZPUBTGV-FXAWDEMLSA-N	1	0	372.469	1.892	20	30		FDEDRO
N#CC[C@]1(O)CCN(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1	ZINC000591926348	551917484	/nfs/dbraw/zinc/91/74/84/551917484.db2.gz	NRMIDNLVOUKFQN-IBGZPJMESA-N	1	0	360.433	1.850	20	30		FDEDRO
Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@@](O)(CC#N)C2)CC1	ZINC000592146160	551949235	/nfs/dbraw/zinc/94/92/35/551949235.db2.gz	FGGPGOZIGAPPSI-NRFANRHFSA-N	1	0	370.497	1.426	20	30		FDEDRO
C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@@](O)(CC#N)C1	ZINC000592150656	551950697	/nfs/dbraw/zinc/95/06/97/551950697.db2.gz	FXSYFMGHJXMLEZ-KPFFTGBYSA-N	1	0	356.470	1.116	20	30		FDEDRO
CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1	ZINC000592187047	551955470	/nfs/dbraw/zinc/95/54/70/551955470.db2.gz	YYGSUFNLOLDEQR-MRXNPFEDSA-N	1	0	368.359	1.887	20	30		FDEDRO
Cc1cc(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c(C#N)cc1N(C)C	ZINC000592257204	551968646	/nfs/dbraw/zinc/96/86/46/551968646.db2.gz	XNIGRYBQWWXFGG-CQSZACIVSA-N	1	0	372.473	1.516	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)Nc3cccc(C#N)n3)cn2)CC1	ZINC000592272657	551971784	/nfs/dbraw/zinc/97/17/84/551971784.db2.gz	YKJQMEGUEISRIA-UHFFFAOYSA-N	1	0	365.441	1.812	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1	ZINC000592314128	551978773	/nfs/dbraw/zinc/97/87/73/551978773.db2.gz	VXSAHRYLMUOYKP-UHFFFAOYSA-N	1	0	356.426	1.128	20	30		FDEDRO
COc1ccccc1[C@H]([NH3+])CNS(=O)(=O)Cc1ccc(CC#N)cc1	ZINC000592364019	551984666	/nfs/dbraw/zinc/98/46/66/551984666.db2.gz	PCMQUUQYKKGGKZ-QGZVFWFLSA-N	1	0	359.451	1.881	20	30		FDEDRO
C[C@@H](CCO)C1(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CCC1	ZINC000592432422	551994395	/nfs/dbraw/zinc/99/43/95/551994395.db2.gz	IHNIOYWECQOAAS-AWEZNQCLSA-N	1	0	351.472	1.505	20	30		FDEDRO
Cn1nc(C2CC2)nc1CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000592581074	552011142	/nfs/dbraw/zinc/01/11/42/552011142.db2.gz	HYRDESDGICHVGU-UHFFFAOYSA-N	1	0	366.469	1.697	20	30		FDEDRO
C[NH+](C)CCN1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1=O	ZINC000593184390	552070683	/nfs/dbraw/zinc/07/06/83/552070683.db2.gz	INGOIGRUFUDFRI-UHFFFAOYSA-N	1	0	360.462	1.352	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1C[C@H](C)O[C@H](C(=O)OC)C1)C(C)C	ZINC000593305833	552086347	/nfs/dbraw/zinc/08/63/47/552086347.db2.gz	RCSWDCHOXHLNEA-ULQDDVLXSA-N	1	0	367.490	1.657	20	30		FDEDRO
CO[C@]1(CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCOC1	ZINC000593391814	552101023	/nfs/dbraw/zinc/10/10/23/552101023.db2.gz	XTSUHSHZIHZMSM-FQEVSTJZSA-N	1	0	372.469	1.627	20	30		FDEDRO
CCN(C)C(=O)[C@H](C)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593396562	552101921	/nfs/dbraw/zinc/10/19/21/552101921.db2.gz	BEWSFMUJIPZMLM-HNNXBMFYSA-N	1	0	371.485	1.689	20	30		FDEDRO
CCN1C[C@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1=O	ZINC000593411202	552104790	/nfs/dbraw/zinc/10/47/90/552104790.db2.gz	LNAJGVAIYHIXLB-GOSISDBHSA-N	1	0	369.469	1.443	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCNC(=O)CC3)CC2)c1	ZINC000593512513	552120121	/nfs/dbraw/zinc/12/01/21/552120121.db2.gz	WQLKZTVTEQSRFB-UHFFFAOYSA-N	1	0	355.442	1.054	20	30		FDEDRO
N#Cc1sccc1S(=O)(=O)N1CCC(CC[NH+]2CCOCC2)CC1	ZINC000593538390	552127038	/nfs/dbraw/zinc/12/70/38/552127038.db2.gz	MLCHMYHMBWQYMJ-UHFFFAOYSA-N	1	0	369.512	1.743	20	30		FDEDRO
CCN(CCC[NH+](C)C)S(=O)(=O)c1ccc(C#N)cc1C(=O)OC	ZINC000593582939	552143154	/nfs/dbraw/zinc/14/31/54/552143154.db2.gz	PVQCGCRLUXPKJX-UHFFFAOYSA-N	1	0	353.444	1.307	20	30		FDEDRO
COC(=O)CN1CCC([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CC1	ZINC000593703746	552177803	/nfs/dbraw/zinc/17/78/03/552177803.db2.gz	WIIJFBMDAXKIIW-UHFFFAOYSA-N	1	0	370.497	1.750	20	30		FDEDRO
C[C@]1(F)CNCCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000593720416	552182234	/nfs/dbraw/zinc/18/22/34/552182234.db2.gz	KSYXPTPJLZCOOF-FQEVSTJZSA-N	1	0	373.476	1.866	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000593766399	552194244	/nfs/dbraw/zinc/19/42/44/552194244.db2.gz	IMDBIYSHOCFOTQ-XYJFISCASA-N	1	0	370.453	1.550	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1	ZINC000593767734	552194604	/nfs/dbraw/zinc/19/46/04/552194604.db2.gz	SYILGCDRCNJGSD-LIRRHRJNSA-N	1	0	356.426	1.483	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1	ZINC000593767241	552194626	/nfs/dbraw/zinc/19/46/26/552194626.db2.gz	OERFRALNNKSEDH-JZXOWHBKSA-N	1	0	370.453	1.550	20	30		FDEDRO
CN(C)C(=O)C1(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1	ZINC000593886619	552217653	/nfs/dbraw/zinc/21/76/53/552217653.db2.gz	STKANHQVOKRSCK-UHFFFAOYSA-N	1	0	354.454	1.507	20	30		FDEDRO
C[NH+](C)CC[C@@](C)(O)CNC(=O)Cc1ccc(Br)cc1C#N	ZINC000593893778	552219296	/nfs/dbraw/zinc/21/92/96/552219296.db2.gz	AJOHWLJKHUISCK-MRXNPFEDSA-N	1	0	368.275	1.682	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+]	ZINC000593904927	552222577	/nfs/dbraw/zinc/22/25/77/552222577.db2.gz	HWASOQDBXHQMTM-GOEBONIOSA-N	1	0	358.442	1.172	20	30		FDEDRO
CCOCCCNC(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593925890	552227001	/nfs/dbraw/zinc/22/70/01/552227001.db2.gz	IMRFAGGAEDRYOB-UHFFFAOYSA-N	1	0	372.469	1.182	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN(C[C@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000594000420	552236424	/nfs/dbraw/zinc/23/64/24/552236424.db2.gz	VKVJZUUGYIOJAG-SFHVURJKSA-N	1	0	361.486	1.317	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H](OC3CCC3)C2)CC1	ZINC000594027155	552240539	/nfs/dbraw/zinc/24/05/39/552240539.db2.gz	RSAUKMCKFPMALB-RBUKOAKNSA-N	1	0	362.518	1.712	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](OC3CCC3)C2)CC1	ZINC000594027153	552240639	/nfs/dbraw/zinc/24/06/39/552240639.db2.gz	RSAUKMCKFPMALB-MOPGFXCFSA-N	1	0	362.518	1.712	20	30		FDEDRO
CC(C)OC(=O)C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C(C)C	ZINC000594043493	552242993	/nfs/dbraw/zinc/24/29/93/552242993.db2.gz	LJTHICXAPSBRMA-HNNXBMFYSA-N	1	0	367.471	1.683	20	30		FDEDRO
CCOC(=O)CC[N@H+](CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C(C)C	ZINC000594050108	552243985	/nfs/dbraw/zinc/24/39/85/552243985.db2.gz	ANOXGDJNRGKPHC-KRWDZBQOSA-N	1	0	366.506	1.342	20	30		FDEDRO
C[C@@H](O)C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C1CC1	ZINC000594061853	552244787	/nfs/dbraw/zinc/24/47/87/552244787.db2.gz	CHWBQSQVDHWCDI-BEFAXECRSA-N	1	0	374.460	1.380	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000594263344	552273118	/nfs/dbraw/zinc/27/31/18/552273118.db2.gz	XQQHMKVNTVYRRY-DNVCBOLYSA-N	1	0	368.481	1.678	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)n1	ZINC000594284472	552277926	/nfs/dbraw/zinc/27/79/26/552277926.db2.gz	YVSYEPKQMYWANU-ROUUACIJSA-N	1	0	368.485	1.802	20	30		FDEDRO
CN1CCN(C(=O)Cc2cccc(NC(=O)[C@H]([NH3+])CCCCC#N)c2)CC1	ZINC000594438759	552310182	/nfs/dbraw/zinc/31/01/82/552310182.db2.gz	LHGJLYKOXJECRY-GOSISDBHSA-N	1	0	371.485	1.353	20	30		FDEDRO
C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)[C@H]([NH3+])CCCCC#N	ZINC000594438807	552310409	/nfs/dbraw/zinc/31/04/09/552310409.db2.gz	LVCBWOAERKLEAN-PKOBYXMFSA-N	1	0	357.502	1.725	20	30		FDEDRO
C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)[C@H]1CN(Cc2ccccc2)CCO1	ZINC000594439032	552310535	/nfs/dbraw/zinc/31/05/35/552310535.db2.gz	NCYNSAUNIFKMPS-QXAKKESOSA-N	1	0	358.486	1.803	20	30		FDEDRO
C[C@@H]1CN(c2ccc(CNC(=O)[C@H]([NH3+])CCCCC#N)cn2)C[C@@H](C)O1	ZINC000594440940	552310841	/nfs/dbraw/zinc/31/08/41/552310841.db2.gz	JPVZQXOUIUPCGG-BFYDXBDKSA-N	1	0	359.474	1.723	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1	ZINC000594819612	552397893	/nfs/dbraw/zinc/39/78/93/552397893.db2.gz	LVBOVQQKFPAICB-SFHVURJKSA-N	1	0	371.462	1.603	20	30		FDEDRO
C[C@H](CCNS(=O)(=O)c1ccc(C#N)c(Br)c1)[NH+](C)C	ZINC000594821787	552398937	/nfs/dbraw/zinc/39/89/37/552398937.db2.gz	NOHAXFMCYZGNER-SNVBAGLBSA-N	1	0	360.277	1.939	20	30		FDEDRO
COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCC[C@H](CC#N)C1	ZINC000595086301	552447986	/nfs/dbraw/zinc/44/79/86/552447986.db2.gz	MDCWGWKFLVZKRP-CQSZACIVSA-N	1	0	358.442	1.848	20	30		FDEDRO
CC(C)[C@H]([NH3+])CCNS(=O)(=O)c1cccc(Br)c1C#N	ZINC000595121310	552457817	/nfs/dbraw/zinc/45/78/17/552457817.db2.gz	OEVGGMCLKUHMMC-GFCCVEGCSA-N	1	0	360.277	1.972	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)ccc1C(F)(F)F	ZINC000595123461	552458441	/nfs/dbraw/zinc/45/84/41/552458441.db2.gz	ZSEOOQXRHVPFJD-VXGBXAGGSA-N	1	0	351.325	1.637	20	30		FDEDRO
CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1	ZINC000595150967	552468430	/nfs/dbraw/zinc/46/84/30/552468430.db2.gz	DUFNCMMZVNQIHS-UHFFFAOYSA-N	1	0	358.442	1.694	20	30		FDEDRO
C[C@@]1(C#N)CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1	ZINC000595187640	552483111	/nfs/dbraw/zinc/48/31/11/552483111.db2.gz	WJAXSKABFCFPLY-UEXGIBASSA-N	1	0	366.465	1.481	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1	ZINC000595228445	552498176	/nfs/dbraw/zinc/49/81/76/552498176.db2.gz	RRXMRLCXFHCAGX-KGLIPLIRSA-N	1	0	357.414	1.121	20	30		FDEDRO
CC1(C#N)CCN(C(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC1	ZINC000595238555	552501853	/nfs/dbraw/zinc/50/18/53/552501853.db2.gz	FOSTWWKCILEIOP-INIZCTEOSA-N	1	0	356.426	1.438	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1	ZINC000595240082	552502506	/nfs/dbraw/zinc/50/25/06/552502506.db2.gz	MYUSZRLWCMSGML-CQSZACIVSA-N	1	0	358.417	1.874	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)cc1C(F)(F)F	ZINC000595249311	552505316	/nfs/dbraw/zinc/50/53/16/552505316.db2.gz	MRAXFOXCVGHUIG-UHFFFAOYSA-N	1	0	352.316	1.384	20	30		FDEDRO
CCS(=O)(=O)N(C)c1ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc1	ZINC000595258834	552506500	/nfs/dbraw/zinc/50/65/00/552506500.db2.gz	WABXUIKTUNGWMI-OAHLLOKOSA-N	1	0	352.460	1.822	20	30		FDEDRO
CC[NH2+]CCNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595268594	552508732	/nfs/dbraw/zinc/50/87/32/552508732.db2.gz	WLWJHYYHMXMJCW-UHFFFAOYSA-N	1	0	367.457	1.389	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595273334	552509342	/nfs/dbraw/zinc/50/93/42/552509342.db2.gz	KRYSNLQYGUMJQM-ZIAGYGMSSA-N	1	0	367.457	1.516	20	30		FDEDRO
C[NH2+]CCCC(=O)N1CCC(NC(=O)N2Cc3ccc(C#N)cc3C2)CC1	ZINC000595274835	552509797	/nfs/dbraw/zinc/50/97/97/552509797.db2.gz	BEEPBLDULHOTDH-UHFFFAOYSA-N	1	0	369.469	1.574	20	30		FDEDRO
C[NH2+]C[C@H](C)NC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000595276275	552510248	/nfs/dbraw/zinc/51/02/48/552510248.db2.gz	WTFVVQAZTBUJOX-AWEZNQCLSA-N	1	0	352.442	1.546	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1	ZINC000595285076	552511816	/nfs/dbraw/zinc/51/18/16/552511816.db2.gz	ZMUZXDHMLQQHRE-HZPDHXFCSA-N	1	0	369.531	1.157	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1	ZINC000595283590	552511820	/nfs/dbraw/zinc/51/18/20/552511820.db2.gz	KLLXXERQQJFNOD-INIZCTEOSA-N	1	0	353.532	1.650	20	30		FDEDRO
COC(=O)CCN1CC[C@@H]([NH+]2CCC(Oc3ccc(C#N)cc3)CC2)C1=O	ZINC000595300880	552516643	/nfs/dbraw/zinc/51/66/43/552516643.db2.gz	BNXFYSHQJQAJLK-GOSISDBHSA-N	1	0	371.437	1.565	20	30		FDEDRO
CN1CC(=O)N(CC[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C1=O	ZINC000595367141	552538296	/nfs/dbraw/zinc/53/82/96/552538296.db2.gz	OEORVBDDVUKBEZ-UHFFFAOYSA-N	1	0	369.425	1.103	20	30		FDEDRO
C[NH+](C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)CC1(CC#N)CC1	ZINC000595404050	552550948	/nfs/dbraw/zinc/55/09/48/552550948.db2.gz	QCSHUXCBOFQECA-HNNXBMFYSA-N	1	0	355.504	1.585	20	30		FDEDRO
C[NH+](C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)CC1(CC#N)CC1	ZINC000595404051	552550951	/nfs/dbraw/zinc/55/09/51/552550951.db2.gz	QCSHUXCBOFQECA-OAHLLOKOSA-N	1	0	355.504	1.585	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)CCO1	ZINC000595405198	552551587	/nfs/dbraw/zinc/55/15/87/552551587.db2.gz	VKZODTOXGDWRTA-HNNXBMFYSA-N	1	0	371.890	1.943	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C1(CC(=O)OC(C)(C)C)CCOCC1	ZINC000595540508	552580891	/nfs/dbraw/zinc/58/08/91/552580891.db2.gz	KZKMEKVQUKPIMW-UHFFFAOYSA-N	1	0	353.463	1.619	20	30		FDEDRO
C[C@@H](NC(=O)CNC(=O)CN1CCC[C@@H](CC#N)C1)c1ccc(F)cc1	ZINC000595621062	552593864	/nfs/dbraw/zinc/59/38/64/552593864.db2.gz	RZJQDMGHOLJFBI-CABCVRRESA-N	1	0	360.433	1.745	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000595665780	552600247	/nfs/dbraw/zinc/60/02/47/552600247.db2.gz	XLXXVDXDJSTTNP-HOTGVXAUSA-N	1	0	357.458	1.989	20	30		FDEDRO
N#Cc1ccc(CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1	ZINC000595695141	552603470	/nfs/dbraw/zinc/60/34/70/552603470.db2.gz	OXFQIYAPGOYCDE-MOPGFXCFSA-N	1	0	356.470	1.778	20	30		FDEDRO
COC(=O)[C@@H]1CC[N@H+](CC(=O)N(CCC#N)CCC#N)[C@H]2CCCC[C@H]12	ZINC000595741873	552609407	/nfs/dbraw/zinc/60/94/07/552609407.db2.gz	ZZERAABDYOUUJH-ZACQAIPSSA-N	1	0	360.458	1.696	20	30		FDEDRO
CCS(=O)(=O)NCCC[NH2+]C1(c2cccc(C#N)c2)CCOCC1	ZINC000595764584	552612794	/nfs/dbraw/zinc/61/27/94/552612794.db2.gz	ILQVYZQIWUEVBQ-UHFFFAOYSA-N	1	0	351.472	1.483	20	30		FDEDRO
Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]CC(=O)NCc2ccc(C#N)cc2)cn1	ZINC000595768069	552613175	/nfs/dbraw/zinc/61/31/75/552613175.db2.gz	DXOMSGFUDOINER-MOPGFXCFSA-N	1	0	351.454	1.909	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)CC1	ZINC000595831775	552621524	/nfs/dbraw/zinc/62/15/24/552621524.db2.gz	SDKFAJJACUOQIG-WOJBJXKFSA-N	1	0	370.497	1.832	20	30		FDEDRO
C=C[C@H](CO)[NH2+][C@H](C)C(=O)Nc1cccc(I)c1	ZINC000595863248	552625241	/nfs/dbraw/zinc/62/52/41/552625241.db2.gz	ALVMONVGDREMLK-MWLCHTKSSA-N	1	0	360.195	1.755	20	30		FDEDRO
CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CCN(c3ccsc3C#N)CC2)C1(C)C	ZINC000595936516	552635522	/nfs/dbraw/zinc/63/55/22/552635522.db2.gz	BARZKLUKWDJYML-MAUKXSAKSA-N	1	0	362.499	1.801	20	30		FDEDRO
C=CC[C@@]1(C(=O)Nc2cc(C(=O)OC)cc(S(C)(=O)=O)c2)CCC[NH2+]1	ZINC000595965777	552639470	/nfs/dbraw/zinc/63/94/70/552639470.db2.gz	PKIGJHWLBADVKH-KRWDZBQOSA-N	1	0	366.439	1.514	20	30		FDEDRO
C[C@H]([NH3+])CCC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595969591	552639899	/nfs/dbraw/zinc/63/98/99/552639899.db2.gz	FXIXLAPOKCTMCD-AWEZNQCLSA-N	1	0	352.442	1.724	20	30		FDEDRO
CC(C)([NH3+])CC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595969631	552640278	/nfs/dbraw/zinc/64/02/78/552640278.db2.gz	GHPSZHODZWSZCW-UHFFFAOYSA-N	1	0	352.442	1.724	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1	ZINC000595988676	552641399	/nfs/dbraw/zinc/64/13/99/552641399.db2.gz	QEIBYDYHDRDCHW-LJQANCHMSA-N	1	0	368.481	1.755	20	30		FDEDRO
Cn1ncc(C#N)c1N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000596097154	552654776	/nfs/dbraw/zinc/65/47/76/552654776.db2.gz	FODINQHNEUEZCG-QGZVFWFLSA-N	1	0	365.485	1.725	20	30		FDEDRO
CCN(C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CC[N@H+](C)C1	ZINC000596581995	552691523	/nfs/dbraw/zinc/69/15/23/552691523.db2.gz	CJOFWGOUCZKYCF-MSOLQXFVSA-N	1	0	369.469	1.395	20	30		FDEDRO
CCn1cc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nn1	ZINC000596786161	552710323	/nfs/dbraw/zinc/71/03/23/552710323.db2.gz	UKYWCCAHAUHSQD-UHFFFAOYSA-N	1	0	355.446	1.443	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)CC3(C#N)CCOCC3)ccn2)CC1	ZINC000596819843	552714270	/nfs/dbraw/zinc/71/42/70/552714270.db2.gz	KOAFRBCRGJZCON-UHFFFAOYSA-N	1	0	357.458	1.160	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)C1	ZINC000596876688	552720244	/nfs/dbraw/zinc/72/02/44/552720244.db2.gz	LNRUCHMBDBPCPX-UKRRQHHQSA-N	1	0	364.471	1.978	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@H](C[C@H]1COCCO1)C(F)(F)F	ZINC000596926057	552725126	/nfs/dbraw/zinc/72/51/26/552725126.db2.gz	LEGCOOOKNSQMJA-KBPBESRZSA-N	1	0	365.396	1.664	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC2(C#N)CCCCC2)C1	ZINC000597165399	552756008	/nfs/dbraw/zinc/75/60/08/552756008.db2.gz	LCAZHZAMMXUZEV-MRXNPFEDSA-N	1	0	364.490	1.050	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)NCC1(C#N)CCCCC1)c1ccccc1	ZINC000597165020	552756186	/nfs/dbraw/zinc/75/61/86/552756186.db2.gz	QDKLGUMQHLKMFI-QGZVFWFLSA-N	1	0	356.470	1.996	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)c1	ZINC000597183412	552758666	/nfs/dbraw/zinc/75/86/66/552758666.db2.gz	IGWLJSIYUDNAQG-KRWDZBQOSA-N	1	0	354.454	1.698	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCC2(C#N)CCCCC2)CCO1	ZINC000597399886	552784314	/nfs/dbraw/zinc/78/43/14/552784314.db2.gz	RERBIAAZNADUHE-INIZCTEOSA-N	1	0	364.490	1.146	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CC[N@H+](CCC)C1	ZINC000597400741	552784661	/nfs/dbraw/zinc/78/46/61/552784661.db2.gz	BBHGXMWIDRKZTD-SFHVURJKSA-N	1	0	356.470	1.897	20	30		FDEDRO
COC(=O)CCN1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)C[C@H]1C	ZINC000597469776	552792801	/nfs/dbraw/zinc/79/28/01/552792801.db2.gz	KABPFFZQXHWDRD-LLVKDONJSA-N	1	0	351.353	1.546	20	30		FDEDRO
C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C1	ZINC000597574315	552806804	/nfs/dbraw/zinc/80/68/04/552806804.db2.gz	PBIFHNPLFZJUEE-QUCCMNQESA-N	1	0	356.470	1.442	20	30		FDEDRO
CC[C@@H](C#N)C(=O)N(C)CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O	ZINC000597656982	552818578	/nfs/dbraw/zinc/81/85/78/552818578.db2.gz	OHVTWDITDOWGAO-AWEZNQCLSA-N	1	0	356.426	1.223	20	30		FDEDRO
CSc1[n-]c(=O)c(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@@H+]2C)cc1C#N	ZINC000597697674	552823614	/nfs/dbraw/zinc/82/36/14/552823614.db2.gz	YWYROFZZTNQUKK-KBPBESRZSA-N	1	0	362.455	1.316	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCc3cc(C#N)ccc32)CC1=O	ZINC000597775223	552831369	/nfs/dbraw/zinc/83/13/69/552831369.db2.gz	FVISHBKDNHJEGQ-ZWKOTPCHSA-N	1	0	366.465	1.780	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000598547084	552908425	/nfs/dbraw/zinc/90/84/25/552908425.db2.gz	XHTGLGHYZXHKOU-INIZCTEOSA-N	1	0	374.485	1.778	20	30		FDEDRO
CN1CCN([C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)c2cccs2)CC1	ZINC000598703363	552927034	/nfs/dbraw/zinc/92/70/34/552927034.db2.gz	GZIXGEGLVPXTIZ-JKSUJKDBSA-N	1	0	350.532	1.927	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O	ZINC000598704176	552927070	/nfs/dbraw/zinc/92/70/70/552927070.db2.gz	FSJIYYSCXJPLBD-ZACQAIPSSA-N	1	0	355.438	1.404	20	30		FDEDRO
CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]C[C@H](O)CC(C)(C)C#N	ZINC000598714105	552927756	/nfs/dbraw/zinc/92/77/56/552927756.db2.gz	FQFMZLGOTKKCPI-QGZVFWFLSA-N	1	0	367.515	1.905	20	30		FDEDRO
COCCS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)cc1	ZINC000598725629	552928540	/nfs/dbraw/zinc/92/85/40/552928540.db2.gz	XSICTFPAEUYVPB-OAHLLOKOSA-N	1	0	354.472	1.497	20	30		FDEDRO
COC(=O)CCNC(=O)CC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F	ZINC000599004326	552957105	/nfs/dbraw/zinc/95/71/05/552957105.db2.gz	MACCGFIKMLWHFT-UHFFFAOYSA-N	1	0	357.332	1.736	20	30		FDEDRO
C[NH2+]CCOCCN(C)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000599107909	552968926	/nfs/dbraw/zinc/96/89/26/552968926.db2.gz	OVSHZMBUWBIFKD-UHFFFAOYSA-N	1	0	365.377	1.434	20	30		FDEDRO
Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000599165957	552978205	/nfs/dbraw/zinc/97/82/05/552978205.db2.gz	XBKDNCGFFXYCLD-UHFFFAOYSA-N	1	0	370.450	1.089	20	30		FDEDRO
CN(C(=O)C[N@H+](C)C[C@@H](O)CC1(C#N)CCOCC1)C1CCCCC1	ZINC000599266311	553009047	/nfs/dbraw/zinc/00/90/47/553009047.db2.gz	WTOBLXSSGQREGO-KRWDZBQOSA-N	1	0	351.491	1.781	20	30		FDEDRO
COC(=O)[C@@H]1CC12CC[NH+](CC#CCN1C(=O)c3ccccc3C1=O)CC2	ZINC000599293935	553018394	/nfs/dbraw/zinc/01/83/94/553018394.db2.gz	CFGCWBQPBGEMCC-KRWDZBQOSA-N	1	0	366.417	1.561	20	30		FDEDRO
C[S@](=O)C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1ccccc1	ZINC000599357120	553035691	/nfs/dbraw/zinc/03/56/91/553035691.db2.gz	QWUCLEQIXYVYTA-OJLQRUNKSA-N	1	0	350.484	1.767	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1cn(-c2ccccc2)nn1	ZINC000599370832	553038448	/nfs/dbraw/zinc/03/84/48/553038448.db2.gz	LSPYDEZWUJXVDW-WBVHZDCISA-N	1	0	355.442	1.989	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)CCOCC1	ZINC000599381531	553041103	/nfs/dbraw/zinc/04/11/03/553041103.db2.gz	MIWWIAGRMCYGFQ-INIZCTEOSA-N	1	0	359.474	1.480	20	30		FDEDRO
C[C@H](c1ccccc1)[C@H]([NH2+]C[C@H](O)COc1ccccc1C#N)C(N)=O	ZINC000599430260	553055369	/nfs/dbraw/zinc/05/53/69/553055369.db2.gz	YAXJSAPIEZOUKZ-LJHODMEESA-N	1	0	353.422	1.545	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)CCOCC1	ZINC000599455757	553061314	/nfs/dbraw/zinc/06/13/14/553061314.db2.gz	WFUVDXWTMRYWLX-OALUTQOASA-N	1	0	371.481	1.696	20	30		FDEDRO
Cc1sc(NC(=O)CN2CCC([NH+]3CCOCC3)CC2)c(C#N)c1C	ZINC000599472698	553067692	/nfs/dbraw/zinc/06/76/92/553067692.db2.gz	MJXXNPDAFWONMX-UHFFFAOYSA-N	1	0	362.499	1.972	20	30		FDEDRO
COC(=O)C1C[C@@H](C)[NH+](CC#CCN2C(=O)c3ccccc3C2=O)[C@H](C)C1	ZINC000599691119	553122864	/nfs/dbraw/zinc/12/28/64/553122864.db2.gz	OPYIOAMKZKDGNG-HUUCEWRRSA-N	1	0	368.433	1.948	20	30		FDEDRO
CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1ccc(C#N)nc1	ZINC000599792468	553149093	/nfs/dbraw/zinc/14/90/93/553149093.db2.gz	VMIBZNXGDQPNIH-OAQYLSRUSA-N	1	0	364.449	1.591	20	30		FDEDRO
N#Cc1ccc(CCNC(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)cc1	ZINC000599885378	553167174	/nfs/dbraw/zinc/16/71/74/553167174.db2.gz	PMNKATFURSAQCI-UHFFFAOYSA-N	1	0	364.405	1.338	20	30		FDEDRO
N#Cc1cccc(-n2ccc(C(=O)N3CC[C@H]([N@@H+]4CC[C@H](O)C4)C3)n2)c1	ZINC000599939472	553179514	/nfs/dbraw/zinc/17/95/14/553179514.db2.gz	IWIXCASBDFAGFE-IRXDYDNUSA-N	1	0	351.410	1.025	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c(F)cc1C#N	ZINC000599951407	553183118	/nfs/dbraw/zinc/18/31/18/553183118.db2.gz	OBYRNNUSAGKJGD-ZDUSSCGKSA-N	1	0	374.416	1.589	20	30		FDEDRO
CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(OC)c(C#N)cc1F	ZINC000599975851	553190553	/nfs/dbraw/zinc/19/05/53/553190553.db2.gz	QCAGIXIWRGYORV-UHFFFAOYSA-N	1	0	364.421	1.835	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)C(C)C)c(F)cc1C#N	ZINC000599981157	553192259	/nfs/dbraw/zinc/19/22/59/553192259.db2.gz	DOTBIQBAWDBWRU-NSHDSACASA-N	1	0	350.394	1.489	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(F)cc1C#N	ZINC000599993515	553195828	/nfs/dbraw/zinc/19/58/28/553195828.db2.gz	VHNVHXNTYIQXBJ-HOCLYGCPSA-N	1	0	374.416	1.778	20	30		FDEDRO
N#Cc1cccc(OCc2cccc(C(=O)NCC[N@H+]3CC[C@@H](O)C3)c2)c1	ZINC000600533404	553281424	/nfs/dbraw/zinc/28/14/24/553281424.db2.gz	LHSHXEIKZYHKNM-LJQANCHMSA-N	1	0	365.433	1.934	20	30		FDEDRO
N#Cc1ccc(Oc2ccc(C(=O)NCC[N@H+]3CC[C@@H](O)C3)cc2)nc1	ZINC000600533313	553281579	/nfs/dbraw/zinc/28/15/79/553281579.db2.gz	KVBCNFVVKDDNOQ-MRXNPFEDSA-N	1	0	352.394	1.542	20	30		FDEDRO
CN(C)C(=O)c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2C#N)cc1	ZINC000600715571	553306370	/nfs/dbraw/zinc/30/63/70/553306370.db2.gz	ABVFGDWEJXNPIG-GOSISDBHSA-N	1	0	353.422	1.790	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]Cc2cccc(N3CCCC3=O)c2)CCOCC1	ZINC000600716925	553306384	/nfs/dbraw/zinc/30/63/84/553306384.db2.gz	HVHOERJNHPPSKR-SFHVURJKSA-N	1	0	357.454	1.974	20	30		FDEDRO
COc1cccc([C@H](C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)N(C)C)c1	ZINC000600715559	553306439	/nfs/dbraw/zinc/30/64/39/553306439.db2.gz	SSXRMNVOJMJXSB-HKUYNNGSSA-N	1	0	361.486	1.959	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]CCNC(=O)Cc2cccc(F)c2)CCOCC1	ZINC000600721626	553307065	/nfs/dbraw/zinc/30/70/65/553307065.db2.gz	CYMJMADVTDNWAW-KRWDZBQOSA-N	1	0	363.433	1.145	20	30		FDEDRO
CN1CCN(C(=O)c2ccc(C[NH2+]C[C@@H](O)CC3(C#N)CC3)cc2)CC1	ZINC000600720445	553307144	/nfs/dbraw/zinc/30/71/44/553307144.db2.gz	YJRAWBFSFSNIGO-SFHVURJKSA-N	1	0	356.470	1.219	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)CCOCC1	ZINC000600726588	553308027	/nfs/dbraw/zinc/30/80/27/553308027.db2.gz	MUQRILJQAGACIG-JKSUJKDBSA-N	1	0	372.469	1.025	20	30		FDEDRO
COc1cc(OC)cc(OCC[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)c1	ZINC000600729062	553308269	/nfs/dbraw/zinc/30/82/69/553308269.db2.gz	DAMOCUCBCICXFI-HNNXBMFYSA-N	1	0	364.442	1.744	20	30		FDEDRO
CC(C)CNS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)CC2(C#N)CC2)cc1	ZINC000600729510	553308563	/nfs/dbraw/zinc/30/85/63/553308563.db2.gz	AOMCWTYHWSRIGY-INIZCTEOSA-N	1	0	365.499	1.765	20	30		FDEDRO
COC(=O)c1cccc(CC[NH2+]C[C@H](O)COc2ccccc2C#N)c1	ZINC000600732569	553308655	/nfs/dbraw/zinc/30/86/55/553308655.db2.gz	SFLWSVFOSZZHTR-SFHVURJKSA-N	1	0	354.406	1.917	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCOCC1	ZINC000600733274	553308828	/nfs/dbraw/zinc/30/88/28/553308828.db2.gz	ILRIXWPIKZHYMU-CYBMUJFWSA-N	1	0	359.386	1.632	20	30		FDEDRO
Cc1cc(N2CCC([NH2+]C[C@@H](O)CC3(C#N)CCOCC3)CC2)nc(C)n1	ZINC000600731433	553308984	/nfs/dbraw/zinc/30/89/84/553308984.db2.gz	XHIRGLHFMXSPGA-SFHVURJKSA-N	1	0	373.501	1.723	20	30		FDEDRO
Cn1c2ccccc2cc(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)c1=O	ZINC000600737412	553309405	/nfs/dbraw/zinc/30/94/05/553309405.db2.gz	DDVRFFZTZABFCS-QGZVFWFLSA-N	1	0	355.438	1.699	20	30		FDEDRO
CN(C)C(=O)Nc1ccc(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)cc1	ZINC000600735192	553309442	/nfs/dbraw/zinc/30/94/42/553309442.db2.gz	KNHSDWYEOLJZSX-QGZVFWFLSA-N	1	0	360.458	1.941	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)CCOCC1	ZINC000600742542	553309878	/nfs/dbraw/zinc/30/98/78/553309878.db2.gz	WTUFROPPQOHQHX-ROUUACIJSA-N	1	0	372.469	1.954	20	30		FDEDRO
Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@@H](O)COc1ccccc1C#N	ZINC000600742654	553310045	/nfs/dbraw/zinc/31/00/45/553310045.db2.gz	KAXAEEXSGKFWAM-MOPGFXCFSA-N	1	0	370.449	1.944	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H](n2cccn2)C(F)(F)F)cc1	ZINC000600746029	553310210	/nfs/dbraw/zinc/31/02/10/553310210.db2.gz	KGGJOEIGHYXCPL-HIFRSBDPSA-N	1	0	354.332	1.888	20	30		FDEDRO
C[NH+](C)CCn1cc(C(=O)N2CCCN(c3ccccc3C#N)CC2)cn1	ZINC000600997430	553337571	/nfs/dbraw/zinc/33/75/71/553337571.db2.gz	ARQXVDOBMJDVIF-UHFFFAOYSA-N	1	0	366.469	1.669	20	30		FDEDRO
Cc1cc(F)cc(C#N)c1S(=O)(=O)NCCCCN1CC[NH+](C)CC1	ZINC000601304884	553372112	/nfs/dbraw/zinc/37/21/12/553372112.db2.gz	QOCFBIGOYAAOHC-UHFFFAOYSA-N	1	0	368.478	1.312	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2C#N)C[C@H]1C[NH3+]	ZINC000601345338	553380663	/nfs/dbraw/zinc/38/06/63/553380663.db2.gz	AVCZBEILJXFOOO-NXEZZACHSA-N	1	0	358.261	1.536	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2ccccc2CC#N)CC1	ZINC000601371963	553387846	/nfs/dbraw/zinc/38/78/46/553387846.db2.gz	UWVAJHFKOXRQGL-UHFFFAOYSA-N	1	0	351.472	1.266	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000601482593	553417082	/nfs/dbraw/zinc/41/70/82/553417082.db2.gz	XRGPBOQMXBHQJL-JFIYKMOQSA-N	1	0	364.515	1.680	20	30		FDEDRO
CCC1([NH+]2CCCC2)CCN(S(=O)(=O)N(CCC#N)CCOC)CC1	ZINC000601497491	553421027	/nfs/dbraw/zinc/42/10/27/553421027.db2.gz	YQJLGPHERMYBAM-UHFFFAOYSA-N	1	0	372.535	1.434	20	30		FDEDRO
N#Cc1ccc(NC(=O)N2CCC([NH2+]CCO)CC2)cc1Br	ZINC000601555883	553435258	/nfs/dbraw/zinc/43/52/58/553435258.db2.gz	BOAQWIQLQSRPLN-UHFFFAOYSA-N	1	0	367.247	1.899	20	30		FDEDRO
C[NH+](C)CCOc1cccc(CNC(=O)N2CCN(CCC#N)CC2)c1	ZINC000601568319	553436977	/nfs/dbraw/zinc/43/69/77/553436977.db2.gz	QTLKWUTVISOJFT-UHFFFAOYSA-N	1	0	359.474	1.368	20	30		FDEDRO
N#CCCN1CCN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC1	ZINC000601626426	553447633	/nfs/dbraw/zinc/44/76/33/553447633.db2.gz	XIKMMXZPGYGLDW-UHFFFAOYSA-N	1	0	370.501	1.534	20	30		FDEDRO
N#CC1(C[C@@H](O)CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)CC1	ZINC000601957963	553496093	/nfs/dbraw/zinc/49/60/93/553496093.db2.gz	KQCZKSXRZVQOBG-ZACQAIPSSA-N	1	0	353.422	1.158	20	30		FDEDRO
C[NH+](C)CCn1c2cc(C(=O)NC3(C#N)CCSCC3)ccc2[nH]c1=O	ZINC000602123573	553522934	/nfs/dbraw/zinc/52/29/34/553522934.db2.gz	CZDXNTLJDJKGHG-UHFFFAOYSA-N	1	0	373.482	1.823	20	30		FDEDRO
COC(=O)CN1CCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1	ZINC000602150972	553529392	/nfs/dbraw/zinc/52/93/92/553529392.db2.gz	DWRRYPLUJPYOCY-KOHRHEQBSA-N	1	0	364.490	1.096	20	30		FDEDRO
C[NH+](C)CCN1CCC(NC(=O)N2CCc3c(CC#N)cccc3C2)CC1	ZINC000602228775	553543128	/nfs/dbraw/zinc/54/31/28/553543128.db2.gz	VKFDZEIRJKETCN-UHFFFAOYSA-N	1	0	369.513	1.846	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c(F)c1	ZINC000602243056	553547105	/nfs/dbraw/zinc/54/71/05/553547105.db2.gz	DRCHJKVXDVTJND-KRWDZBQOSA-N	1	0	372.444	1.837	20	30		FDEDRO
CN1CCOC[C@H]1CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000602283078	553556204	/nfs/dbraw/zinc/55/62/04/553556204.db2.gz	OLCKKZMLOYKSDW-AQFXKWCLSA-N	1	0	373.457	1.273	20	30		FDEDRO
C[NH+](C)C[C@@H](NC(=O)NCC(=O)NCC#N)c1ccc(Cl)c(Cl)c1	ZINC000602313302	553561637	/nfs/dbraw/zinc/56/16/37/553561637.db2.gz	QJRJVEAOTGWETI-CYBMUJFWSA-N	1	0	372.256	1.535	20	30		FDEDRO
C[C@H](CCC#N)C[NH2+]Cc1ccccc1CS(=O)(=O)N1CCOCC1	ZINC000602512632	553596183	/nfs/dbraw/zinc/59/61/83/553596183.db2.gz	WTHBADXRSSXBFA-MRXNPFEDSA-N	1	0	365.499	1.878	20	30		FDEDRO
CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)cc1	ZINC000602527894	553599261	/nfs/dbraw/zinc/59/92/61/553599261.db2.gz	NFHVUYUSOYAZJR-HNNXBMFYSA-N	1	0	365.499	1.924	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(CCN2CCOCC2)C1	ZINC000602545777	553603639	/nfs/dbraw/zinc/60/36/39/553603639.db2.gz	PUCLIMGTAGIZFI-QZTJIDSGSA-N	1	0	350.507	1.081	20	30		FDEDRO
Cc1cc2ncn(C[C@H](O)C[NH+]3C[C@@H](C)N(CC#N)[C@H](C)C3)c2cc1C	ZINC000602858602	553652556	/nfs/dbraw/zinc/65/25/56/553652556.db2.gz	TXACLVYWSJWLRE-KZNAEPCWSA-N	1	0	355.486	1.932	20	30		FDEDRO
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@H](O)C[C@@]1(C)CO	ZINC000602907960	553666246	/nfs/dbraw/zinc/66/62/46/553666246.db2.gz	NXWPXNMAQZPIFR-LBTNJELSSA-N	1	0	363.483	1.837	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(CCO)(CCO)CC1	ZINC000602966536	553682452	/nfs/dbraw/zinc/68/24/52/553682452.db2.gz	IRYDJUICVXQRFF-MRXNPFEDSA-N	1	0	351.491	1.565	20	30		FDEDRO
C[C@H]([NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)C(=O)N(C)CCC#N	ZINC000603146855	553715797	/nfs/dbraw/zinc/71/57/97/553715797.db2.gz	URVXRMPHWIMSCK-NWANDNLSSA-N	1	0	357.376	1.871	20	30		FDEDRO
N#Cc1ccc(NC(=O)Cn2cc(C[C@H]3CCC[NH2+]C3)nn2)cc1Cl	ZINC000603173495	553722058	/nfs/dbraw/zinc/72/20/58/553722058.db2.gz	XDHPNRIABXLAKX-GFCCVEGCSA-N	1	0	358.833	1.984	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@H]1Cn1cc(CN(C)c2cnc(C#N)cn2)nn1	ZINC000603254585	553744704	/nfs/dbraw/zinc/74/47/04/553744704.db2.gz	YRNCLUVKPDLXCY-KRWDZBQOSA-N	1	0	354.462	1.839	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)Cn2cc(CC[NH+]3CCCCC3)nn2)cc1	ZINC000603262325	553747111	/nfs/dbraw/zinc/74/71/11/553747111.db2.gz	YJRXGVVPLAGHAZ-SFHVURJKSA-N	1	0	355.442	1.618	20	30		FDEDRO
N#Cc1ccc(NCC[N@@H+]2CCc3ccccc3C2)c(CS(N)(=O)=O)c1	ZINC000603271459	553749011	/nfs/dbraw/zinc/74/90/11/553749011.db2.gz	NWIZZNLGGOWNMS-UHFFFAOYSA-N	1	0	370.478	1.817	20	30		FDEDRO
CCC[NH+]1CCC(CNc2ccc(C#N)cc2CS(N)(=O)=O)CC1	ZINC000603285083	553754409	/nfs/dbraw/zinc/75/44/09/553754409.db2.gz	PKJWBHFHBOXTFL-UHFFFAOYSA-N	1	0	350.488	1.881	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(c3cc(C#N)c(Br)cn3)CC2)C1	ZINC000603299061	553758550	/nfs/dbraw/zinc/75/85/50/553758550.db2.gz	RZPYIWHPGBUMFD-CQSZACIVSA-N	1	0	364.291	1.932	20	30		FDEDRO
C[N@H+]1Cc2ccccc2[C@@H](Nc2ccc(C#N)cc2CS(N)(=O)=O)C1	ZINC000603327540	553765224	/nfs/dbraw/zinc/76/52/24/553765224.db2.gz	CZTPKQVSCCANRB-SFHVURJKSA-N	1	0	356.451	1.945	20	30		FDEDRO
COc1ccc([C@H](CNC(=O)Cn2cc(C#N)nn2)[NH+]2CCCCC2)cc1	ZINC000603334889	553766139	/nfs/dbraw/zinc/76/61/39/553766139.db2.gz	VHHFMYNICJVZNK-SFHVURJKSA-N	1	0	368.441	1.502	20	30		FDEDRO
CN1CC[NH+](CC2CN(c3cc(C#N)c(Br)cn3)C2)CC1	ZINC000603399510	553779636	/nfs/dbraw/zinc/77/96/36/553779636.db2.gz	BXCVGWFHDJJEOZ-UHFFFAOYSA-N	1	0	350.264	1.399	20	30		FDEDRO
CC(C)(CC#N)CNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000603437061	553788530	/nfs/dbraw/zinc/78/85/30/553788530.db2.gz	VBZRBLJYTDFNSP-INIZCTEOSA-N	1	0	351.495	1.022	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1C[C@H]2C[NH2+]C[C@H]2C1	ZINC000603867016	553822137	/nfs/dbraw/zinc/82/21/37/553822137.db2.gz	BNHPBVHHUQRDET-IYBDPMFKSA-N	1	0	359.474	1.103	20	30		FDEDRO
COc1ccc(-c2noc(CCC(=O)NC3(C#N)CC[NH+](C)CC3)n2)cc1	ZINC000603885973	553824237	/nfs/dbraw/zinc/82/42/37/553824237.db2.gz	KSNBDUIZVSZEDP-UHFFFAOYSA-N	1	0	369.425	1.782	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)c2cc3c(c(Br)c2)OCO3)CC1	ZINC000604327363	553863407	/nfs/dbraw/zinc/86/34/07/553863407.db2.gz	HPCXUZPVTCKECD-UHFFFAOYSA-N	1	0	366.215	1.896	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000609163488	554345135	/nfs/dbraw/zinc/34/51/35/554345135.db2.gz	HNVCVCOEUPYZPQ-INIZCTEOSA-N	1	0	357.458	1.947	20	30		FDEDRO
N#CCn1c(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc2ccccc21	ZINC000609171046	554346031	/nfs/dbraw/zinc/34/60/31/554346031.db2.gz	NHPKNWALEXHGKF-INIZCTEOSA-N	1	0	367.453	1.482	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(NC(=O)CNc2ccc(C#N)cc2)CC1	ZINC000609448377	554378231	/nfs/dbraw/zinc/37/82/31/554378231.db2.gz	BERLQSBODZTPSE-UHFFFAOYSA-N	1	0	357.458	1.029	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1	ZINC000609572744	554395511	/nfs/dbraw/zinc/39/55/11/554395511.db2.gz	ZQZDDZRAJGYAKQ-RLLQIKCJSA-N	1	0	359.470	1.023	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cc(C)nn2CCC#N)CC1=O	ZINC000609581664	554396745	/nfs/dbraw/zinc/39/67/45/554396745.db2.gz	TVQJBCWJDMYGFF-CVEARBPZSA-N	1	0	372.473	1.377	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(C(N)=O)(c2ccccc2)CC1	ZINC000609672355	554409553	/nfs/dbraw/zinc/40/95/53/554409553.db2.gz	GATCHLAAGYLPFG-MRXNPFEDSA-N	1	0	356.470	1.514	20	30		FDEDRO
COc1cccc(N2CC[C@@H]([NH2+][C@H](C(N)=O)c3ccc(C#N)cc3)C2)c1	ZINC000609676794	554410648	/nfs/dbraw/zinc/41/06/48/554410648.db2.gz	VOUHLOJBGMYVAP-APWZRJJASA-N	1	0	350.422	1.962	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1	ZINC000609926686	554438642	/nfs/dbraw/zinc/43/86/42/554438642.db2.gz	RWUCDIUVMAKKCI-VNQPRFMTSA-N	1	0	358.360	1.880	20	30		FDEDRO
N#Cc1cc([N+](=O)[O-])cnc1NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000610160546	554470072	/nfs/dbraw/zinc/47/00/72/554470072.db2.gz	WQGWHVQCIMMQON-GOSISDBHSA-N	1	0	353.382	1.910	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC[N@@H+]1C	ZINC000610208984	554473913	/nfs/dbraw/zinc/47/39/13/554473913.db2.gz	MEQVFCUKOKIBBM-GOEBONIOSA-N	1	0	363.483	1.977	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC[N@@H+]1C	ZINC000610402038	554499850	/nfs/dbraw/zinc/49/98/50/554499850.db2.gz	PYYPGJJOFRGKKB-WMLDXEAASA-N	1	0	356.474	1.704	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000610405444	554501305	/nfs/dbraw/zinc/50/13/05/554501305.db2.gz	BBANRJUBNWIYSR-OAHLLOKOSA-N	1	0	372.473	1.740	20	30		FDEDRO
C[C@H]1CC[N@H+](Cc2ccccc2)CCN1S(=O)(=O)N(C)CCC#N	ZINC000610472281	554514577	/nfs/dbraw/zinc/51/45/77/554514577.db2.gz	QJWZDOUIFWMMOO-INIZCTEOSA-N	1	0	350.488	1.673	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1cccc(C#N)c1	ZINC000610870019	554572982	/nfs/dbraw/zinc/57/29/82/554572982.db2.gz	XTYKALDZTZPOHX-CYBMUJFWSA-N	1	0	354.414	1.132	20	30		FDEDRO
CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000611025508	554596871	/nfs/dbraw/zinc/59/68/71/554596871.db2.gz	SCSZZYQJNZIZDQ-GFCCVEGCSA-N	1	0	352.416	1.619	20	30		FDEDRO
CC[N@@H+]1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@@H]1C	ZINC000611092131	554604211	/nfs/dbraw/zinc/60/42/11/554604211.db2.gz	JLGODVJFESPWJS-HNNXBMFYSA-N	1	0	352.442	1.708	20	30		FDEDRO
CC(C)[NH+]1CCN(C2CCN(C(=O)N=c3ccn(CCC#N)[nH]3)CC2)CC1	ZINC000611169459	554611580	/nfs/dbraw/zinc/61/15/80/554611580.db2.gz	QLXDHYSRHLANQR-UHFFFAOYSA-N	1	0	373.505	1.819	20	30		FDEDRO
COC[C@H]1CCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000611430020	554632806	/nfs/dbraw/zinc/63/28/06/554632806.db2.gz	QNRSQZYOPSNRKJ-CVEARBPZSA-N	1	0	362.499	1.568	20	30		FDEDRO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+](CCCO)C2CC2)CC1	ZINC000611430351	554632824	/nfs/dbraw/zinc/63/28/24/554632824.db2.gz	ZLGRXSGSYIMABL-INIZCTEOSA-N	1	0	362.499	1.304	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)ccc1Cl	ZINC000612604936	554814349	/nfs/dbraw/zinc/81/43/49/554814349.db2.gz	MJXFYSRKABKFCN-MRXNPFEDSA-N	1	0	362.861	1.348	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1	ZINC000613104870	554885921	/nfs/dbraw/zinc/88/59/21/554885921.db2.gz	LKHWBMCRMBZLBO-IBGZPJMESA-N	1	0	364.534	1.474	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCN(C(=O)C3CC3)CC2)cc1	ZINC000614914057	555136155	/nfs/dbraw/zinc/13/61/55/555136155.db2.gz	QGMKAPXMTVTEJS-SFHVURJKSA-N	1	0	357.454	1.437	20	30		FDEDRO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[N@H+](CCO)C(C)(C)C1	ZINC000614920731	555137246	/nfs/dbraw/zinc/13/72/46/555137246.db2.gz	PEPYMVPUJYZTQW-OHTSDLOESA-N	1	0	364.534	1.694	20	30		FDEDRO
C[C@H]1CN(C[C@H](O)COc2ccc(CC#N)cc2)CC[N@@H+]1CC(C)(C)O	ZINC000614928723	555139199	/nfs/dbraw/zinc/13/91/99/555139199.db2.gz	LPQQVXJIGUIDKP-WMZOPIPTSA-N	1	0	361.486	1.269	20	30		FDEDRO
N#C[C@]1(F)CCN(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1	ZINC000615535656	555208724	/nfs/dbraw/zinc/20/87/24/555208724.db2.gz	VOHJJZDISWLNTO-LJQANCHMSA-N	1	0	359.449	1.846	20	30		FDEDRO
CN1CCC(CNC(=O)N2CC[C@](F)(C#N)C2)([NH+]2CCCCC2)CC1	ZINC000615591187	555217148	/nfs/dbraw/zinc/21/71/48/555217148.db2.gz	HKFZNPIBCJNFOC-KRWDZBQOSA-N	1	0	351.470	1.584	20	30		FDEDRO
N#C[C@@]1(F)CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1	ZINC000617530411	555462666	/nfs/dbraw/zinc/46/26/66/555462666.db2.gz	OKKDYTLMPKNJPB-HKUYNNGSSA-N	1	0	360.433	1.925	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000618766592	555675599	/nfs/dbraw/zinc/67/55/99/555675599.db2.gz	QDOZQEFNQSYWMI-FXAWDEMLSA-N	1	0	373.497	1.677	20	30		FDEDRO
CC[C@@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C[C@@]2(CCOC2)O1	ZINC000619516255	555793618	/nfs/dbraw/zinc/79/36/18/555793618.db2.gz	RITIAQIWYWXZLY-NLWGTHIKSA-N	1	0	360.454	1.762	20	30		FDEDRO
Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000619736962	555828988	/nfs/dbraw/zinc/82/89/88/555828988.db2.gz	RFKNPRXSLQOEMV-KRWDZBQOSA-N	1	0	352.442	1.655	20	30		FDEDRO
C=CCn1c(-c2cn[nH]c2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000624845425	556653884	/nfs/dbraw/zinc/65/38/84/556653884.db2.gz	BPDANCXKCHENIJ-OAHLLOKOSA-N	1	0	357.462	1.403	20	30		FDEDRO
C=CCn1c(-c2cn[nH]c2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1	ZINC000624851805	556655446	/nfs/dbraw/zinc/65/54/46/556655446.db2.gz	RDKSYBUHVLDGFR-UHFFFAOYSA-N	1	0	371.489	1.935	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1	ZINC000625473422	556817556	/nfs/dbraw/zinc/81/75/56/556817556.db2.gz	DBJDFFLOCIEYAK-QGZVFWFLSA-N	1	0	364.534	1.333	20	30		FDEDRO
CC(C)NC(=O)[C@@H]1CCC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000625559608	556853583	/nfs/dbraw/zinc/85/35/83/556853583.db2.gz	AYBHORDLMOYXJC-MRXNPFEDSA-N	1	0	367.449	1.523	20	30		FDEDRO
C=CCC1([NH2+]CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CCCCC1	ZINC000625935565	556955029	/nfs/dbraw/zinc/95/50/29/556955029.db2.gz	FGZFCSKDHFKHTL-UHFFFAOYSA-N	1	0	359.474	1.692	20	30		FDEDRO
O=C(NCC#CCO)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1	ZINC000626928236	557231696	/nfs/dbraw/zinc/23/16/96/557231696.db2.gz	PNKAAEWPPDIHID-IAGOWNOFSA-N	1	0	355.463	1.471	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C1	ZINC000629806222	557839648	/nfs/dbraw/zinc/83/96/48/557839648.db2.gz	SNKGUTCAAQTDPI-MCIONIFRSA-N	1	0	361.408	1.787	20	30		FDEDRO
C=C(C)C[C@H]1NC(=O)N(CCCC[NH+]2CCN(c3ncccn3)CC2)C1=O	ZINC000630973878	557965105	/nfs/dbraw/zinc/96/51/05/557965105.db2.gz	SHSLTAHVLSTVGH-MRXNPFEDSA-N	1	0	372.473	1.265	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1C[C@@H]2COC[C@@H]2C1	ZINC000635044307	558562389	/nfs/dbraw/zinc/56/23/89/558562389.db2.gz	ZROYFQSAZBZYJG-TWMKSMIVSA-N	1	0	359.474	1.473	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1	ZINC000410563648	568216298	/nfs/dbraw/zinc/21/62/98/568216298.db2.gz	MLLVKOXHHWXGFI-UHFFFAOYSA-N	1	0	365.518	1.762	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(Cl)n(C)n2)C[C@H]1C	ZINC001104402278	782186023	/nfs/dbraw/zinc/18/60/23/782186023.db2.gz	DJMWEALQCRCXMG-CHWSQXEVSA-N	1	0	367.881	1.064	20	30		FDEDRO
C[NH+](C)CCn1cc(NS(=O)(=O)c2ccc(C#N)c(F)c2)ccc1=O	ZINC000291814794	568484069	/nfs/dbraw/zinc/48/40/69/568484069.db2.gz	DFMMJHHFHODNFN-UHFFFAOYSA-N	1	0	364.402	1.221	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)C=Cc2ccccc2-c2nn[nH]n2)CC1	ZINC000735374601	598930542	/nfs/dbraw/zinc/93/05/42/598930542.db2.gz	FLRPGDVCFIBWEJ-CMDGGOBGSA-N	1	0	350.426	1.484	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)COc1cccc(-c2nn[nH]n2)c1	ZINC000821182794	607322598	/nfs/dbraw/zinc/32/25/98/607322598.db2.gz	ZVHCOCIBSZQBKJ-CQSZACIVSA-N	1	0	357.414	1.522	20	30		FDEDRO
CN(C)S(=O)(=O)c1ccc(OCC[NH+]2CCC(C)(C#N)CC2)cc1	ZINC000272519100	674453703	/nfs/dbraw/zinc/45/37/03/674453703.db2.gz	HCURNXBCAAJAQC-UHFFFAOYSA-N	1	0	351.472	1.941	20	30		FDEDRO
C#CC[N@H+](C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)[C@H]1CCc2ccccc21	ZINC000819701441	607442072	/nfs/dbraw/zinc/44/20/72/607442072.db2.gz	HOEHXRLUBSKGKS-KSSFIOAISA-N	1	0	374.452	1.728	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1cccc(C#N)c1F	ZINC000825934330	608414945	/nfs/dbraw/zinc/41/49/45/608414945.db2.gz	MXQDXHLXSJMCFD-UHFFFAOYSA-N	1	0	355.381	1.247	20	30		FDEDRO
N#CCc1ccc(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1	ZINC000826382566	609516076	/nfs/dbraw/zinc/51/60/76/609516076.db2.gz	KCQHSGDZZDDYRJ-UHFFFAOYSA-N	1	0	360.425	1.650	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)NCc1ccc(CC[NH+](C)C)cc1	ZINC000276146506	674712974	/nfs/dbraw/zinc/71/29/74/674712974.db2.gz	PFZUHGZDCKQEMX-UHFFFAOYSA-N	1	0	353.488	1.191	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N(CC)CCC[NH+](C)C)ccc1F	ZINC000276167081	674715762	/nfs/dbraw/zinc/71/57/62/674715762.db2.gz	FNEQTSZBLYXZDX-UHFFFAOYSA-N	1	0	371.478	1.704	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@@H](OC)[C@@H](OC)C2)c(OC)c1	ZINC000276875348	674789947	/nfs/dbraw/zinc/78/99/47/674789947.db2.gz	LXHVFAROCQXGEJ-LZQZEXGQSA-N	1	0	351.443	1.509	20	30		FDEDRO
C=CCNc1nc(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)cs1	ZINC000022371626	670690410	/nfs/dbraw/zinc/69/04/10/670690410.db2.gz	ZKHLTUAWTVRFKI-UHFFFAOYSA-N	1	0	364.471	1.641	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1cccc(NS(C)(=O)=O)c1	ZINC000064381190	671325088	/nfs/dbraw/zinc/32/50/88/671325088.db2.gz	OSZKZOSOWUPVJV-UHFFFAOYSA-N	1	0	352.460	1.366	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)C[C@H](C)c2nccs2)CC1	ZINC000286765897	675904951	/nfs/dbraw/zinc/90/49/51/675904951.db2.gz	UMBXDAJZTGWCRB-AWEZNQCLSA-N	1	0	364.515	1.862	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)N1CCSCC1)N(C)Cc1ccccc1	ZINC000081717286	671468649	/nfs/dbraw/zinc/46/86/49/671468649.db2.gz	OKYVYOVZSRPHTN-UHFFFAOYSA-N	1	0	370.544	1.072	20	30		FDEDRO
CCc1nc(CNC(N[C@H]2CCCN(c3ncccn3)C2)=[NH+]C)cs1	ZINC000086014408	671482521	/nfs/dbraw/zinc/48/25/21/671482521.db2.gz	QYGIRCCRCYUTAV-ZDUSSCGKSA-N	1	0	359.503	1.830	20	30		FDEDRO
CCC[NH+]1CCN(C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)CC1	ZINC000287493714	675917335	/nfs/dbraw/zinc/91/73/35/675917335.db2.gz	ZSNVULNQNWXVCO-CQSZACIVSA-N	1	0	364.471	1.932	20	30		FDEDRO
N#CCCN(CCN1CCOCC1)C[C@@H](O)Cc1cccc(Cl)c1	ZINC000287603212	675918819	/nfs/dbraw/zinc/91/88/19/675918819.db2.gz	DIVMGZOYZBFFFC-SFHVURJKSA-N	1	0	351.878	1.791	20	30		FDEDRO
Cc1ccc(CNC(=O)CON=C(N)C[N@H+]2CCCC[C@@H]2C)cc1F	ZINC000106437867	671607110	/nfs/dbraw/zinc/60/71/10/671607110.db2.gz	SNJWDMMGVFRQKB-AWEZNQCLSA-N	1	0	350.438	1.914	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cccc(S(=O)(=O)NC)c1	ZINC000121446805	671704521	/nfs/dbraw/zinc/70/45/21/671704521.db2.gz	HEIJGVBNGOGZQQ-AWEZNQCLSA-N	1	0	352.456	1.485	20	30		FDEDRO
C[NH+]=C(NCc1cccc(OC)n1)N1CCN([C@@H](C)C(F)(F)F)CC1	ZINC000133378551	671820914	/nfs/dbraw/zinc/82/09/14/671820914.db2.gz	ZHSHRDLWIVFUCR-LBPRGKRZSA-N	1	0	359.396	1.734	20	30		FDEDRO
CO[C@@H](CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12)C(C)(C)C	ZINC000133966291	671824913	/nfs/dbraw/zinc/82/49/13/671824913.db2.gz	VJQMUXUFAMGYFW-KGLIPLIRSA-N	1	0	354.495	1.928	20	30		FDEDRO
CCN/C(=[NH+]/CC)N1CCN(c2ncc(Br)c(OC)n2)CC1	ZINC000156351800	671954362	/nfs/dbraw/zinc/95/43/62/671954362.db2.gz	VZVZBKKGRYPSFY-UHFFFAOYSA-N	1	0	371.283	1.355	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])ccc1F	ZINC000156609565	671957745	/nfs/dbraw/zinc/95/77/45/671957745.db2.gz	LCSFKALMDKWGQT-IUODEOHRSA-N	1	0	369.462	1.489	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1	ZINC000171737912	672058163	/nfs/dbraw/zinc/05/81/63/672058163.db2.gz	XMIHYWKKYCYFED-HNNXBMFYSA-N	1	0	352.479	1.945	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N(C)CCC[N@@H+](C)CCN(C)C	ZINC000288286014	675987677	/nfs/dbraw/zinc/98/76/77/675987677.db2.gz	FKXWUSNTJROYIG-UHFFFAOYSA-N	1	0	352.504	1.371	20	30		FDEDRO
C[C@H](NC(=[NH+]CC(=O)N(C)C)N1CC[C@@]2(CCOC2)C1)c1cccs1	ZINC000185535281	672260877	/nfs/dbraw/zinc/26/08/77/672260877.db2.gz	GCZPPZIIQNSJMW-KBXCAEBGSA-N	1	0	364.515	1.955	20	30		FDEDRO
CCOC(=O)N1CCC([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)CC1	ZINC000186427195	672272288	/nfs/dbraw/zinc/27/22/88/672272288.db2.gz	JPWNPSYERKYCSJ-KDOFPFPSSA-N	1	0	352.479	1.887	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H](C)C2CCN(C(=O)OC)CC2)CC1	ZINC000186905721	672277312	/nfs/dbraw/zinc/27/73/12/672277312.db2.gz	OPRCSJLNLPJUFQ-CQSZACIVSA-N	1	0	352.479	1.803	20	30		FDEDRO
CC[NH+]=C(NCc1sc(C)nc1C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261655943	672644388	/nfs/dbraw/zinc/64/43/88/672644388.db2.gz	ACVAAIHMPPCTQC-UHFFFAOYSA-N	1	0	358.533	1.734	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])cc1	ZINC000261678192	672648979	/nfs/dbraw/zinc/64/89/79/672648979.db2.gz	DCUIGJCLIAAWTN-UKRRQHHQSA-N	1	0	351.472	1.350	20	30		FDEDRO
C[NH+]=C(NCCN1CCc2sccc2C1)N1CCC[C@H](CC(N)=O)C1	ZINC000261772185	672669519	/nfs/dbraw/zinc/66/95/19/672669519.db2.gz	OEUIMKRLNMWFCG-CQSZACIVSA-N	1	0	363.531	1.269	20	30		FDEDRO
C=CCNC(=[NH2+])NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1	ZINC000261892384	672690038	/nfs/dbraw/zinc/69/00/38/672690038.db2.gz	UBHKVOQSTXBFKR-AWEZNQCLSA-N	1	0	350.488	1.698	20	30		FDEDRO
C[NH+]=C(NC[C@@H](c1ccsc1)N(C)C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261934319	672696730	/nfs/dbraw/zinc/69/67/30/672696730.db2.gz	CDNQGFRCONUQEK-AWEZNQCLSA-N	1	0	372.560	1.435	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])N[C@H](C)CCCC(C)C)cc1S(N)(=O)=O	ZINC000288744156	676048488	/nfs/dbraw/zinc/04/84/88/676048488.db2.gz	PSFMCHXWOFYGIM-CYBMUJFWSA-N	1	0	370.519	1.962	20	30		FDEDRO
C[NH+]=C(NC[C@@H](C)Oc1ccc(F)cc1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261946092	672699169	/nfs/dbraw/zinc/69/91/69/672699169.db2.gz	FZLOBROVQKFCAG-CYBMUJFWSA-N	1	0	371.478	1.677	20	30		FDEDRO
[NH2+]=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)NC1CCCCCC1	ZINC000261965224	672703389	/nfs/dbraw/zinc/70/33/89/672703389.db2.gz	AYPXHZQFAOATDA-UHFFFAOYSA-N	1	0	366.478	1.878	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCOc2ccccc21)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261968247	672704200	/nfs/dbraw/zinc/70/42/00/672704200.db2.gz	LZWMKJRBCLTJEB-CQSZACIVSA-N	1	0	365.499	1.637	20	30		FDEDRO
C[NH+]=C(NC[C@@]1(N(C)C)CCSC1)N1CCN(c2cccs2)CC1	ZINC000261969873	672704907	/nfs/dbraw/zinc/70/49/07/672704907.db2.gz	MNFMGNQONYNBHF-KRWDZBQOSA-N	1	0	367.588	1.883	20	30		FDEDRO
C[NH+]=C(NCCO)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1	ZINC000262020439	672713116	/nfs/dbraw/zinc/71/31/16/672713116.db2.gz	YPYVPBQVGOINKL-SNVBAGLBSA-N	1	0	365.787	1.490	20	30		FDEDRO
CC(C)C[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CCOC2(CCSCC2)C1	ZINC000262251382	672754842	/nfs/dbraw/zinc/75/48/42/672754842.db2.gz	BYGSSOUAGQTTMD-OAHLLOKOSA-N	1	0	370.563	1.711	20	30		FDEDRO
[NH2+]=C(NC[C@@H]1CCCS(=O)(=O)C1)N1CCN(c2ccc(F)cc2)CC1	ZINC000262327310	672770647	/nfs/dbraw/zinc/77/06/47/672770647.db2.gz	ULCBOQSUBZEZQO-AWEZNQCLSA-N	1	0	368.478	1.087	20	30		FDEDRO
CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCc2ccc(F)cc2C1	ZINC000262327604	672770741	/nfs/dbraw/zinc/77/07/41/672770741.db2.gz	AIJOLEKUMOAPFY-AWEZNQCLSA-N	1	0	367.490	1.974	20	30		FDEDRO
CC1CCC2(CC1)OC[C@@H](CNC(NCC(=O)N(C)C)=[NH+]C1CC1)O2	ZINC000262347560	672774566	/nfs/dbraw/zinc/77/45/66/672774566.db2.gz	YGLPTGOSSHBQLC-NSWWBONSSA-N	1	0	352.479	1.094	20	30		FDEDRO
C=CCNC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C	ZINC000262358769	672776296	/nfs/dbraw/zinc/77/62/96/672776296.db2.gz	GIINDQWFXKAGMK-CAOSSQGBSA-N	1	0	369.531	1.346	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N[C@@H]1CCc2ccccc2C1	ZINC000262403603	672783674	/nfs/dbraw/zinc/78/36/74/672783674.db2.gz	OCEQWISENVOPAR-CRAIPNDOSA-N	1	0	363.527	1.922	20	30		FDEDRO
Cn1nccc1CNC(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CCCCC1	ZINC000262410707	672785055	/nfs/dbraw/zinc/78/50/55/672785055.db2.gz	PHHWSTWQQFXQNF-CQSZACIVSA-N	1	0	367.519	1.223	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N(C)Cc1cc(Cl)cn1C	ZINC000262418706	672786632	/nfs/dbraw/zinc/78/66/32/672786632.db2.gz	QPUGYEPENDZEPN-ZDUSSCGKSA-N	1	0	374.938	1.899	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2	ZINC000262440826	672790117	/nfs/dbraw/zinc/79/01/17/672790117.db2.gz	UQDRUVLXLGRWFR-JONQDZQNSA-N	1	0	369.531	1.324	20	30		FDEDRO
C[NH+]=C(NCc1nc(C(F)(F)F)cs1)NC[C@H]1CN(C)CCO1	ZINC000262551675	672806309	/nfs/dbraw/zinc/80/63/09/672806309.db2.gz	TZEYYNQUHXNSHU-VIFPVBQESA-N	1	0	351.398	1.158	20	30		FDEDRO
C#CCNC(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)=[NH+]CC	ZINC000262659353	672826596	/nfs/dbraw/zinc/82/65/96/672826596.db2.gz	YKORLBZWGZHTQF-UHFFFAOYSA-N	1	0	362.499	1.276	20	30		FDEDRO
C[NH+]=C(NC[C@H](OC)c1ccc(Cl)cc1)N[C@H]1CCc2ncnn2C1	ZINC000262781151	672848611	/nfs/dbraw/zinc/84/86/11/672848611.db2.gz	LCIHMLOMAHSKKK-GJZGRUSLSA-N	1	0	362.865	1.799	20	30		FDEDRO
CCc1nc(CNC(N[C@H]2CCCN(c3cnn(C)c3)C2)=[NH+]C)cs1	ZINC000262805505	672850777	/nfs/dbraw/zinc/85/07/77/672850777.db2.gz	SPSWPIWXVVWMNR-ZDUSSCGKSA-N	1	0	361.519	1.773	20	30		FDEDRO
C[NH+]=C(NCC1CCN(C(C)=O)CC1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C	ZINC000262809902	672851353	/nfs/dbraw/zinc/85/13/53/672851353.db2.gz	TZYGIXPFJIKSDQ-BBWFWOEESA-N	1	0	350.507	1.614	20	30		FDEDRO
C=CCNC(NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)=[NH+]C	ZINC000262950367	672855621	/nfs/dbraw/zinc/85/56/21/672855621.db2.gz	BRKUGXLMDCFUMU-HNNXBMFYSA-N	1	0	364.515	1.958	20	30		FDEDRO
COc1ccccc1CNC(=[NH2+])NC[C@H]1CS(=O)(=O)c2ccccc21	ZINC000263057229	672860245	/nfs/dbraw/zinc/86/02/45/672860245.db2.gz	FBKGJLOHFMIREX-AWEZNQCLSA-N	1	0	359.451	1.671	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1ccccc1Br	ZINC000264056239	672898968	/nfs/dbraw/zinc/89/89/68/672898968.db2.gz	BAYYJGWAHZMWRH-UHFFFAOYSA-N	1	0	355.280	1.576	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)CC1	ZINC000264444784	672913339	/nfs/dbraw/zinc/91/33/39/672913339.db2.gz	XHWSOICTIHLDBL-CYBMUJFWSA-N	1	0	366.487	1.345	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)CC[NH+](C)C)ccc1F	ZINC000264856378	672927105	/nfs/dbraw/zinc/92/71/05/672927105.db2.gz	CXYPTQBMVKTLLQ-GFCCVEGCSA-N	1	0	357.451	1.360	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000266710769	673179597	/nfs/dbraw/zinc/17/95/97/673179597.db2.gz	YANOUIAMHWODSP-GFCCVEGCSA-N	1	0	354.332	1.726	20	30		FDEDRO
COCCNS(=O)(=O)c1cccc(CNC(=[NH2+])NCCC(C)C)c1	ZINC000267378478	673298240	/nfs/dbraw/zinc/29/82/40/673298240.db2.gz	ANFSAGJIDXKBMV-UHFFFAOYSA-N	1	0	356.492	1.062	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@](C)(O)c2ccco2)CC1	ZINC000267472231	673307342	/nfs/dbraw/zinc/30/73/42/673307342.db2.gz	YBZMUUJRULJERO-KRWDZBQOSA-N	1	0	352.435	1.355	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1cncc(C#N)c1	ZINC000289383908	676127661	/nfs/dbraw/zinc/12/76/61/676127661.db2.gz	CPXYFQGNVRCNBT-KDOFPFPSSA-N	1	0	356.451	1.752	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H](CO)[C@H]1CCOC1)C(C)C	ZINC000281896232	675574532	/nfs/dbraw/zinc/57/45/32/675574532.db2.gz	FAJGXURDDPGIFJ-RCCFBDPRSA-N	1	0	353.507	1.629	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)C1=O	ZINC000282084348	675595886	/nfs/dbraw/zinc/59/58/86/675595886.db2.gz	UUHSIEWIYFYWEF-CJNGLKHVSA-N	1	0	351.472	1.374	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1	ZINC000282146814	675605039	/nfs/dbraw/zinc/60/50/39/675605039.db2.gz	AABHCYAEQQTDNG-HNNXBMFYSA-N	1	0	364.515	1.892	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000282810888	675642208	/nfs/dbraw/zinc/64/22/08/675642208.db2.gz	ZDXNIELAQIBGJG-DOTOQJQBSA-N	1	0	350.488	1.577	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1	ZINC000283017780	675647423	/nfs/dbraw/zinc/64/74/23/675647423.db2.gz	PFDVSOGFTSDJAN-HZPDHXFCSA-N	1	0	352.504	1.965	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000283369245	675654988	/nfs/dbraw/zinc/65/49/88/675654988.db2.gz	COBVXOMQQFUQKO-HNNXBMFYSA-N	1	0	350.488	1.577	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2CC[NH3+])c1	ZINC000286060677	675866915	/nfs/dbraw/zinc/86/69/15/675866915.db2.gz	LSTQYTKONPWNNJ-OAHLLOKOSA-N	1	0	351.472	1.494	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1	ZINC000292024597	676279174	/nfs/dbraw/zinc/27/91/74/676279174.db2.gz	VXZOYZPYSRRYQZ-SFHVURJKSA-N	1	0	362.495	1.178	20	30		FDEDRO
CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000292047643	676280956	/nfs/dbraw/zinc/28/09/56/676280956.db2.gz	AYEHLSYAOLKDRG-CVEARBPZSA-N	1	0	364.471	1.078	20	30		FDEDRO
CS(=O)(=O)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000292360131	676296652	/nfs/dbraw/zinc/29/66/52/676296652.db2.gz	WCOASUSDZKIEED-GFCCVEGCSA-N	1	0	369.874	1.907	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCCC[C@H]2CCC[NH2+]2)c1	ZINC000294961789	676398768	/nfs/dbraw/zinc/39/87/68/676398768.db2.gz	WQPGVFZWQVNMOR-OAHLLOKOSA-N	1	0	351.472	1.413	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@@H](CC)c1cccc(S(N)(=O)=O)c1	ZINC000296299775	676417556	/nfs/dbraw/zinc/41/75/56/676417556.db2.gz	JGAIQHQJGUKVOL-INIZCTEOSA-N	1	0	366.487	1.039	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C)[C@H]([NH3+])[C@@H]2C)cc1	ZINC000297277735	676425554	/nfs/dbraw/zinc/42/55/54/676425554.db2.gz	BMADTXFKSUPXHM-XEZPLFJOSA-N	1	0	351.472	1.349	20	30		FDEDRO
[NH2+]=C(NCCNC(=O)c1ccc(Br)cc1)NCC1CCC1	ZINC000303890072	676543742	/nfs/dbraw/zinc/54/37/42/676543742.db2.gz	PVZXTNUPBOXNPQ-UHFFFAOYSA-N	1	0	353.264	1.883	20	30		FDEDRO
CC[C@@H](C)NC(=O)CCNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000303904583	676543791	/nfs/dbraw/zinc/54/37/91/676543791.db2.gz	YVRRJOUIYCWXPV-CYBMUJFWSA-N	1	0	355.483	1.159	20	30		FDEDRO
CSC1(CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)CCOCC1	ZINC000304803033	676544593	/nfs/dbraw/zinc/54/45/93/676544593.db2.gz	PURSSHRBBJBVRN-UHFFFAOYSA-N	1	0	372.535	1.766	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCCCO[C@H]2CCOC2)CC1	ZINC000305014878	676544866	/nfs/dbraw/zinc/54/48/66/676544866.db2.gz	LRLMDIIJNZPJDX-AWEZNQCLSA-N	1	0	356.467	1.049	20	30		FDEDRO
Cc1nnc([C@H](C)NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)s1	ZINC000328669860	676601447	/nfs/dbraw/zinc/60/14/47/676601447.db2.gz	MHYPNYXMKWSISE-JSGCOSHPSA-N	1	0	353.492	1.866	20	30		FDEDRO
C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)C1	ZINC000328721120	676603977	/nfs/dbraw/zinc/60/39/77/676603977.db2.gz	WPMHELCDCNWKAA-IXDOHACOSA-N	1	0	353.507	1.790	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)CC1(C)C	ZINC000328718278	676603990	/nfs/dbraw/zinc/60/39/90/676603990.db2.gz	PTHGEKONRYKDGY-MRXNPFEDSA-N	1	0	350.507	1.618	20	30		FDEDRO
C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@@H]3CC(=O)N(C(C)(C)C)C3)C2)CC1	ZINC000328776487	676606268	/nfs/dbraw/zinc/60/62/68/676606268.db2.gz	CQICELRRYWMYFI-HZPDHXFCSA-N	1	0	350.507	1.964	20	30		FDEDRO
CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1	ZINC000328884904	676610805	/nfs/dbraw/zinc/61/08/05/676610805.db2.gz	YTOGGFBYTXBXOX-SJORKVTESA-N	1	0	350.507	1.964	20	30		FDEDRO
Cc1nc([C@@H]2CCCOC2)sc1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C	ZINC000328895062	676611365	/nfs/dbraw/zinc/61/13/65/676611365.db2.gz	VZHKCSXPLKJFCI-ZIAGYGMSSA-N	1	0	352.504	1.896	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN(C(=O)NCCC3(O)CCC3)CC2)CC1	ZINC000328902013	676611588	/nfs/dbraw/zinc/61/15/88/676611588.db2.gz	ZVHDNYLTDIBWED-UHFFFAOYSA-N	1	0	352.523	1.696	20	30		FDEDRO
CO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)NC2CC[NH+](C(C)C)CC2)C1	ZINC000328940047	676612789	/nfs/dbraw/zinc/61/27/89/676612789.db2.gz	DWGKSPOCVVKFDS-CABCVRRESA-N	1	0	350.467	1.364	20	30		FDEDRO
CO[C@@H]1C[C@@H](c2nc[nH]n2)N(CC(=O)NC2CC[NH+](C(C)C)CC2)C1	ZINC000328938105	676612895	/nfs/dbraw/zinc/61/28/95/676612895.db2.gz	JYPNWTUGWMCHBF-CABCVRRESA-N	1	0	350.467	1.396	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)CN2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)CC1	ZINC000328945588	676613308	/nfs/dbraw/zinc/61/33/08/676613308.db2.gz	GJHNTVZWHDIWMI-KSZLIROESA-N	1	0	353.507	1.678	20	30		FDEDRO
CN(CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)S(=O)(=O)c1cccnc1	ZINC000328954205	676613554	/nfs/dbraw/zinc/61/35/54/676613554.db2.gz	YGXSBBZZOALWGC-CABCVRRESA-N	1	0	352.460	1.285	20	30		FDEDRO
C[C@H](CNC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)C[NH+]1CCCCC1	ZINC000329021620	676616295	/nfs/dbraw/zinc/61/62/95/676616295.db2.gz	IAQKFVOJCMTFBH-XMTFNYHQSA-N	1	0	353.507	1.884	20	30		FDEDRO
COCCOc1ncccc1NC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1	ZINC000329047500	676617324	/nfs/dbraw/zinc/61/73/24/676617324.db2.gz	VNOXMSGESXIVFD-HUUCEWRRSA-N	1	0	350.419	1.057	20	30		FDEDRO
CC[NH+]1CCC(CCNC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)CC1	ZINC000329049254	676617559	/nfs/dbraw/zinc/61/75/59/676617559.db2.gz	KHEWZTNPCCPHII-RCCFBDPRSA-N	1	0	353.507	1.884	20	30		FDEDRO
O=C(CCN1CCCS1(=O)=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000329091891	676619555	/nfs/dbraw/zinc/61/95/55/676619555.db2.gz	JQOQLRDIKPDGRY-UHFFFAOYSA-N	1	0	359.492	1.014	20	30		FDEDRO
CC(C)[C@H](CNC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)[NH+]1CCCC1	ZINC000329120999	676621106	/nfs/dbraw/zinc/62/11/06/676621106.db2.gz	QGOMLDTUMHOHBM-CABCVRRESA-N	1	0	360.524	1.034	20	30		FDEDRO
CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)C1	ZINC000329208022	676625250	/nfs/dbraw/zinc/62/52/50/676625250.db2.gz	FJVKDULUQJWMEZ-LPHOPBHVSA-N	1	0	350.507	1.823	20	30		FDEDRO
C[C@H](CNC(=O)N1CC[C@H](C(=O)N2CCCC2)C1)[NH+]1CCC(C)CC1	ZINC000329240484	676627767	/nfs/dbraw/zinc/62/77/67/676627767.db2.gz	QZSIJXQTZZWXHV-SJORKVTESA-N	1	0	350.507	1.965	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(CC(F)(F)F)C(=O)C1	ZINC000329243093	676628040	/nfs/dbraw/zinc/62/80/40/676628040.db2.gz	SRVFJZAWKAWUJF-GFCCVEGCSA-N	1	0	350.385	1.481	20	30		FDEDRO
CCn1cnnc1CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000329288396	676631164	/nfs/dbraw/zinc/63/11/64/676631164.db2.gz	PQPDVMFTELLAML-HUUCEWRRSA-N	1	0	350.467	1.070	20	30		FDEDRO
O=C(NCCN1CCSCC1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000329304966	676632133	/nfs/dbraw/zinc/63/21/33/676632133.db2.gz	YECCWDSXVKCRMO-IAGOWNOFSA-N	1	0	370.563	1.307	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1CSCN1C(=O)c1ccccc1	ZINC000329383430	676636474	/nfs/dbraw/zinc/63/64/74/676636474.db2.gz	RCSRZQRRURWHPS-HZPDHXFCSA-N	1	0	362.499	1.404	20	30		FDEDRO
C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)N[C@@H]1CCC(=O)NC12CCC2	ZINC000329404564	676637411	/nfs/dbraw/zinc/63/74/11/676637411.db2.gz	AMGQYEKMWDHUPI-QLFBSQMISA-N	1	0	350.463	1.737	20	30		FDEDRO
Cc1c(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)sc2nccn12	ZINC000329469512	676640066	/nfs/dbraw/zinc/64/00/66/676640066.db2.gz	XNESJZHHEIPLLL-ZDUSSCGKSA-N	1	0	361.471	1.704	20	30		FDEDRO
Cc1c(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)sc2nccn12	ZINC000329469511	676640094	/nfs/dbraw/zinc/64/00/94/676640094.db2.gz	XNESJZHHEIPLLL-CYBMUJFWSA-N	1	0	361.471	1.704	20	30		FDEDRO
O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1csc(NC2CC2)n1	ZINC000329478034	676640576	/nfs/dbraw/zinc/64/05/76/676640576.db2.gz	QAHKCEYBAGMJCD-LBPRGKRZSA-N	1	0	350.488	2.523	20	30		FDEDRO
O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@H]1CSCN1C(=O)C1CCCC1	ZINC000329491369	676641182	/nfs/dbraw/zinc/64/11/82/676641182.db2.gz	ZFYVOLZCMXXIDI-JKSUJKDBSA-N	1	0	369.531	1.881	20	30		FDEDRO
CS(=O)(=O)NCC1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1	ZINC000329511252	676641984	/nfs/dbraw/zinc/64/19/84/676641984.db2.gz	BZJQOIKVIJDNLU-INIZCTEOSA-N	1	0	372.535	1.179	20	30		FDEDRO
CC(C)[C@H](CNC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C)[NH+]1CCC(C)CC1	ZINC000329541258	676643210	/nfs/dbraw/zinc/64/32/10/676643210.db2.gz	DIBGSDNEIXVBHE-XHSDSOJGSA-N	1	0	359.536	1.680	20	30		FDEDRO
CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1	ZINC000329541701	676643237	/nfs/dbraw/zinc/64/32/37/676643237.db2.gz	XKLGWMJZKCKJOU-GJZGRUSLSA-N	1	0	361.508	1.160	20	30		FDEDRO
C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000329541006	676643337	/nfs/dbraw/zinc/64/33/37/676643337.db2.gz	DGCZMKUEXHWTJQ-LJISPDSOSA-N	1	0	359.536	1.680	20	30		FDEDRO
CCO[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)C12CCCC2	ZINC000329568696	676644398	/nfs/dbraw/zinc/64/43/98/676644398.db2.gz	ICRWTMYGYAIFLG-APIJFGDWSA-N	1	0	358.504	1.846	20	30		FDEDRO
C[C@@H]1[C@H](C)N(C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)CC[N@H+]1C	ZINC000329695267	676649782	/nfs/dbraw/zinc/64/97/82/676649782.db2.gz	XLBGRZWDYYQAJB-KGLIPLIRSA-N	1	0	366.487	1.796	20	30		FDEDRO
Cc1ncc(CN2CCN(C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)s1	ZINC000329814254	676658518	/nfs/dbraw/zinc/65/85/18/676658518.db2.gz	UHOGRLJKLCUEDX-UKRRQHHQSA-N	1	0	351.520	1.966	20	30		FDEDRO
O=C(NC[C@H]1CCCO1)c1cccc(C[NH2+]C2CCS(=O)(=O)CC2)c1	ZINC000329815751	676658868	/nfs/dbraw/zinc/65/88/68/676658868.db2.gz	OAJZVUNXAPXVIL-QGZVFWFLSA-N	1	0	366.483	1.837	20	30		FDEDRO
CO[C@H]1C[C@H](C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)N(S(C)(=O)=O)C1	ZINC000329847104	676660384	/nfs/dbraw/zinc/66/03/84/676660384.db2.gz	MNFFRPFZGJGFND-VHDGCEQUSA-N	1	0	359.492	1.009	20	30		FDEDRO
NC(=O)[C@@H]1CC[C@H](CNC(=O)N2CC[NH+](CC3CCOCC3)CC2)O1	ZINC000329929900	676664182	/nfs/dbraw/zinc/66/41/82/676664182.db2.gz	ZESKOPIDRDISSV-CABCVRRESA-N	1	0	354.451	1.027	20	30		FDEDRO
Cc1cnc(NC(=O)N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)o1	ZINC000329984517	676667341	/nfs/dbraw/zinc/66/73/41/676667341.db2.gz	CIJIAVUCXIAPTM-OAHLLOKOSA-N	1	0	351.451	1.255	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)CC1	ZINC000329988040	676667539	/nfs/dbraw/zinc/66/75/39/676667539.db2.gz	TWXXNGSLRWMXIV-XJKSGUPXSA-N	1	0	355.504	1.632	20	30		FDEDRO
O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)N[C@H]1CC[S@@](=O)C1	ZINC000330030882	676669132	/nfs/dbraw/zinc/66/91/32/676669132.db2.gz	SFNMBCMWTDUEGT-LMKMVOKYSA-N	1	0	365.499	1.168	20	30		FDEDRO
O=C(NCc1nc(C(F)(F)F)n[nH]1)N1CC[NH+](C2CCOCC2)CC1	ZINC000330168111	676676330	/nfs/dbraw/zinc/67/63/30/676676330.db2.gz	ZSEBAHLIWCQECV-UHFFFAOYSA-N	1	0	362.356	1.034	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2CCS(=O)(=O)c3ccccc3C2)CC1	ZINC000330170306	676676412	/nfs/dbraw/zinc/67/64/12/676676412.db2.gz	WZZPWLSIZJSDCL-UHFFFAOYSA-N	1	0	365.499	1.717	20	30		FDEDRO
COCCO[C@@H]1COCC[C@@H]1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1	ZINC000330170540	676676549	/nfs/dbraw/zinc/67/65/49/676676549.db2.gz	DTOMHRBBCPTNPV-YYIAUSFCSA-N	1	0	355.479	1.137	20	30		FDEDRO
CO[C@@H]1CN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C[C@@H]1OC	ZINC000330172989	676676741	/nfs/dbraw/zinc/67/67/41/676676741.db2.gz	GZHDPTNTPFRVFT-IYBDPMFKSA-N	1	0	371.547	1.998	20	30		FDEDRO
CC(C)[C@@H]1OCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000330182454	676677017	/nfs/dbraw/zinc/67/70/17/676677017.db2.gz	OZFGHDBNARJOOG-DDBAPUKQSA-N	1	0	353.507	1.929	20	30		FDEDRO
CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000330271710	676682339	/nfs/dbraw/zinc/68/23/39/676682339.db2.gz	WJBDVYRLEVCAMF-ARFHVFGLSA-N	1	0	357.520	1.674	20	30		FDEDRO
CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2c(OC)ncnc2N(C)C)C[C@@H]1C	ZINC000330449962	676691316	/nfs/dbraw/zinc/69/13/16/676691316.db2.gz	XVBJMNZUJGXVOP-QWHCGFSZSA-N	1	0	350.467	1.901	20	30		FDEDRO
COc1cc(NC(=O)NC2CC[NH+](C)CC2)ccc1S(=O)(=O)N(C)C	ZINC000330475857	676692667	/nfs/dbraw/zinc/69/26/67/676692667.db2.gz	GRORRYXOVZQLOH-UHFFFAOYSA-N	1	0	370.475	1.366	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1	ZINC000330500501	676694033	/nfs/dbraw/zinc/69/40/33/676694033.db2.gz	PHIXOLGNCHJLPR-MDZRGWNJSA-N	1	0	350.507	1.614	20	30		FDEDRO
CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1	ZINC000330537843	676694985	/nfs/dbraw/zinc/69/49/85/676694985.db2.gz	QQGKXQVMOCEYEF-JTQLQIEISA-N	1	0	361.368	1.668	20	30		FDEDRO
C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccnc(OCC(F)(F)F)c2)CCO1	ZINC000330688305	676700796	/nfs/dbraw/zinc/70/07/96/676700796.db2.gz	WWMVIFMCVIIATA-GFCCVEGCSA-N	1	0	362.352	1.831	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)Nc2cccc(S(=O)(=O)NC)c2)CC1	ZINC000330962933	676711432	/nfs/dbraw/zinc/71/14/32/676711432.db2.gz	AVGDIRPJGZYKDU-UHFFFAOYSA-N	1	0	354.476	1.795	20	30		FDEDRO
COc1ccc(CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)c(OC)c1	ZINC000330966183	676711537	/nfs/dbraw/zinc/71/15/37/676711537.db2.gz	DOZFPZUCDSLUKS-UHFFFAOYSA-N	1	0	351.447	1.506	20	30		FDEDRO
Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1	ZINC000331161867	676719493	/nfs/dbraw/zinc/71/94/93/676719493.db2.gz	KYGSWTQNQCIQLG-LSDHHAIUSA-N	1	0	353.488	1.707	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1	ZINC000331248858	676723930	/nfs/dbraw/zinc/72/39/30/676723930.db2.gz	UUJAHIKLBOGFCZ-UGSOOPFHSA-N	1	0	350.463	1.314	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)CC1	ZINC000332383622	676741122	/nfs/dbraw/zinc/74/11/22/676741122.db2.gz	YFMXBAZOCLLOJL-IAGOWNOFSA-N	1	0	350.507	1.162	20	30		FDEDRO
C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)CC1(C#N)CCCCC1	ZINC000332605353	676743348	/nfs/dbraw/zinc/74/33/48/676743348.db2.gz	IXMAXWJAEHIFJZ-INIZCTEOSA-N	1	0	356.536	1.406	20	30		FDEDRO
C=CCNc1ncc(C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)s1	ZINC000363706346	676969742	/nfs/dbraw/zinc/96/97/42/676969742.db2.gz	BEOILVPOBMKQAI-RRFJBIMHSA-N	1	0	364.515	2.360	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2C[C@@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)ccc1F	ZINC000364302858	677006396	/nfs/dbraw/zinc/00/63/96/677006396.db2.gz	IVNRGHWIICVQKH-NVXWUHKLSA-N	1	0	363.389	1.952	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCCCC1	ZINC000367124115	677488349	/nfs/dbraw/zinc/48/83/49/677488349.db2.gz	CGVCCTVQMDRHTG-KRWDZBQOSA-N	1	0	372.535	1.434	20	30		FDEDRO
Cc1ccccc1C[N@H+]1CCCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1	ZINC000367166307	677489799	/nfs/dbraw/zinc/48/97/99/677489799.db2.gz	SATPFULNKHRAAW-QGZVFWFLSA-N	1	0	364.515	1.982	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H](C1CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000368616364	677500847	/nfs/dbraw/zinc/50/08/47/677500847.db2.gz	SSJDXDHAPMCYBP-HOCLYGCPSA-N	1	0	353.463	1.293	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1	ZINC000369004019	677502697	/nfs/dbraw/zinc/50/26/97/677502697.db2.gz	VVURULQGRXXRKQ-WBVHZDCISA-N	1	0	371.547	1.041	20	30		FDEDRO
C#CCSCCNC(=O)NCCC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000370025210	677537124	/nfs/dbraw/zinc/53/71/24/677537124.db2.gz	CVWXJUAHFHKDGQ-UHFFFAOYSA-N	1	0	366.575	1.848	20	30		FDEDRO
N#Cc1cc(F)c(S(=O)(=O)N2C[C@@H]3[C@H]4CCCC[N@H+]4C[C@H]3C2)c(F)c1	ZINC000370465363	677580858	/nfs/dbraw/zinc/58/08/58/677580858.db2.gz	SLKVKXYEVBFVLP-HEHGZKQESA-N	1	0	367.421	1.941	20	30		FDEDRO
Cn1cc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3NS(C)(=O)=O)C2)cc1C#N	ZINC000370622457	677599054	/nfs/dbraw/zinc/59/90/54/677599054.db2.gz	OACJMAGWERDRAH-CYBMUJFWSA-N	1	0	362.459	1.371	20	30		FDEDRO
C=CCCCNC(=O)C(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1	ZINC000422396127	680721030	/nfs/dbraw/zinc/72/10/30/680721030.db2.gz	KNLVCPVACRFYIS-UHFFFAOYSA-N	1	0	350.507	1.087	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1	ZINC000371683618	677756904	/nfs/dbraw/zinc/75/69/04/677756904.db2.gz	ACNXBPZKUVDELJ-KRWDZBQOSA-N	1	0	371.547	1.741	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1	ZINC000422555867	680741010	/nfs/dbraw/zinc/74/10/10/680741010.db2.gz	REOVNXKAUQXYEH-YCPHGPKFSA-N	1	0	365.499	1.596	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1	ZINC000374447114	678080841	/nfs/dbraw/zinc/08/08/41/678080841.db2.gz	QABHSQRPWMVIKH-MRXNPFEDSA-N	1	0	356.536	1.767	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000378307122	678736938	/nfs/dbraw/zinc/73/69/38/678736938.db2.gz	PHKGRPYXBYXQSN-QAPCUYQASA-N	1	0	362.499	1.205	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000409501259	678853406	/nfs/dbraw/zinc/85/34/06/678853406.db2.gz	LIOHCNKTANQJJV-AEFFLSMTSA-N	1	0	364.515	1.967	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H](Cc1ccccc1)[NH+](C)C	ZINC000409558949	678859445	/nfs/dbraw/zinc/85/94/45/678859445.db2.gz	WUKCCYSTRBPYCZ-RDJZCZTQSA-N	1	0	352.504	1.475	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000409596203	678866098	/nfs/dbraw/zinc/86/60/98/678866098.db2.gz	SAKJDUXCJQEQBV-IYBDPMFKSA-N	1	0	360.524	1.051	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000410150991	678886235	/nfs/dbraw/zinc/88/62/35/678886235.db2.gz	DZNFAFRHYLWKEE-SJLPKXTDSA-N	1	0	364.515	1.967	20	30		FDEDRO
CC[C@@H](C)NC(=O)CN1CC[NH+](CCCC2(C#N)CCOCC2)CC1	ZINC000410310465	678889539	/nfs/dbraw/zinc/88/95/39/678889539.db2.gz	LSXNBHFPDFWKIB-QGZVFWFLSA-N	1	0	350.507	1.619	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c1	ZINC000424021353	680826700	/nfs/dbraw/zinc/82/67/00/680826700.db2.gz	UDHHWWBREPGOPE-DZGCQCFKSA-N	1	0	351.472	1.208	20	30		FDEDRO
CCS(=O)(=O)Nc1ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc1OC	ZINC000424096000	680829468	/nfs/dbraw/zinc/82/94/68/680829468.db2.gz	YFNVDVCIKSTYRO-LBPRGKRZSA-N	1	0	354.432	1.416	20	30		FDEDRO
COC(=O)[C@@H]1CSCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000412066440	679149934	/nfs/dbraw/zinc/14/99/34/679149934.db2.gz	DCEMGSLGIDHEFQ-GJZGRUSLSA-N	1	0	350.440	1.136	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)[C@@H]([NH3+])CCCC#N	ZINC000424097966	680829626	/nfs/dbraw/zinc/82/96/26/680829626.db2.gz	SESZBXISFYDOPE-HNNXBMFYSA-N	1	0	366.487	1.984	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O	ZINC000424189512	680831554	/nfs/dbraw/zinc/83/15/54/680831554.db2.gz	KZOWSTNGVVDHRU-ZDUSSCGKSA-N	1	0	366.443	1.136	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1	ZINC000414894761	679372864	/nfs/dbraw/zinc/37/28/64/679372864.db2.gz	LSCJJFFYKMINRW-KGLIPLIRSA-N	1	0	366.487	1.694	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@](C)(C[NH3+])C(C)C)cc1	ZINC000414899649	679373392	/nfs/dbraw/zinc/37/33/92/679373392.db2.gz	VABNEWIWEJRMFS-QGZVFWFLSA-N	1	0	368.503	1.988	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1	ZINC000415468295	679435368	/nfs/dbraw/zinc/43/53/68/679435368.db2.gz	WBZBXQKFRQLFAY-RISCZKNCSA-N	1	0	358.833	2.517	20	30		FDEDRO
C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000415484446	679438217	/nfs/dbraw/zinc/43/82/17/679438217.db2.gz	CEGAXZRQHQPUHI-LBPRGKRZSA-N	1	0	365.231	1.470	20	30		FDEDRO
N#CCCSc1ccccc1NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1	ZINC000415606357	679463973	/nfs/dbraw/zinc/46/39/73/679463973.db2.gz	RODOGORRJSISHM-GOSISDBHSA-N	1	0	358.467	1.843	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000415609953	679464687	/nfs/dbraw/zinc/46/46/87/679464687.db2.gz	HRZVZLBYNJPACA-RNCFNFMXSA-N	1	0	365.231	1.373	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)cc1Br	ZINC000415874528	679531694	/nfs/dbraw/zinc/53/16/94/679531694.db2.gz	XCCNYJBXOZUUHL-LBPRGKRZSA-N	1	0	365.231	1.518	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC2)n1	ZINC000416028793	679546254	/nfs/dbraw/zinc/54/62/54/679546254.db2.gz	KKBOPDZLWJZRPV-LBPRGKRZSA-N	1	0	356.352	1.065	20	30		FDEDRO
C=CCC(C)(C)CNC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1	ZINC000418207909	680024927	/nfs/dbraw/zinc/02/49/27/680024927.db2.gz	CJTDQNWCHFSZRB-JKSUJKDBSA-N	1	0	350.507	1.879	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[NH2+]C1CCCCCC1	ZINC000418818680	680129143	/nfs/dbraw/zinc/12/91/43/680129143.db2.gz	CABQWSWSZJKXML-RDJZCZTQSA-N	1	0	351.491	1.512	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSCc2ncc(C#N)cn2)C1	ZINC000419624180	680296280	/nfs/dbraw/zinc/29/62/80/680296280.db2.gz	GIGKDWOMMLJQGY-OAHLLOKOSA-N	1	0	363.487	1.054	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+])c1ccc(F)c(F)c1	ZINC000419676386	680316763	/nfs/dbraw/zinc/31/67/63/680316763.db2.gz	LTISDKLTFCRHTB-WQVCFCJDSA-N	1	0	351.397	1.942	20	30		FDEDRO
C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)NCCC[NH3+]	ZINC000419833418	680366673	/nfs/dbraw/zinc/36/66/73/680366673.db2.gz	LNUYKSMOFGKTNG-UHFFFAOYSA-N	1	0	372.238	1.568	20	30		FDEDRO
C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)N[C@H](C)C[NH3+]	ZINC000420014813	680389354	/nfs/dbraw/zinc/38/93/54/680389354.db2.gz	ORCUTIXBRKIRRO-SNVBAGLBSA-N	1	0	372.238	1.566	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1cccc(Br)c1C#N	ZINC000420438012	680451059	/nfs/dbraw/zinc/45/10/59/680451059.db2.gz	QUEHYIWOVQPFPZ-BXKDBHETSA-N	1	0	358.261	1.597	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H](CCO)CC2)CC1	ZINC000421019221	680589538	/nfs/dbraw/zinc/58/95/38/680589538.db2.gz	PDUQSCCCUJOTKO-ZWKOTPCHSA-N	1	0	350.507	1.163	20	30		FDEDRO
CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC000421352104	680655657	/nfs/dbraw/zinc/65/56/57/680655657.db2.gz	CWQRUQWCHVZZTN-OAHLLOKOSA-N	1	0	354.451	1.448	20	30		FDEDRO
COCC(C)(C)[NH+]1CCN(CCC(=O)Nc2sccc2C#N)CC1	ZINC000425510404	680906440	/nfs/dbraw/zinc/90/64/40/680906440.db2.gz	VHQIMQXCYBLDTL-UHFFFAOYSA-N	1	0	350.488	1.991	20	30		FDEDRO
COCC(C)(C)[NH+]1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1	ZINC000425512001	680906689	/nfs/dbraw/zinc/90/66/89/680906689.db2.gz	XQHMJUJJCQOAAQ-OAHLLOKOSA-N	1	0	362.499	1.768	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1	ZINC000425874243	680938081	/nfs/dbraw/zinc/93/80/81/680938081.db2.gz	RAPISMKGOFPMPR-DRMAHVMPSA-N	1	0	351.491	1.320	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCC[C@H]2CCO)CC1	ZINC000426195328	680951330	/nfs/dbraw/zinc/95/13/30/680951330.db2.gz	SMVPQLJHVGZJOT-JKSUJKDBSA-N	1	0	362.499	1.304	20	30		FDEDRO
C[N@@H+](CC#Cc1ccc(F)cc1)CCOc1ccc(S(N)(=O)=O)cc1	ZINC000433085809	681172451	/nfs/dbraw/zinc/17/24/51/681172451.db2.gz	XNVARXUSOADQHN-UHFFFAOYSA-N	1	0	362.426	1.835	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1	ZINC000435750019	681633489	/nfs/dbraw/zinc/63/34/89/681633489.db2.gz	MJQHOHFPOVRVCH-IKGGRYGDSA-N	1	0	353.488	1.488	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)s1	ZINC000441391233	682075285	/nfs/dbraw/zinc/07/52/85/682075285.db2.gz	ZUACRALAQZHFEP-UHFFFAOYSA-N	1	0	357.407	1.966	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2ccc(F)cc2C#N)CC1	ZINC000443071347	682226952	/nfs/dbraw/zinc/22/69/52/682226952.db2.gz	QBEJTIZFCGZBQS-UHFFFAOYSA-N	1	0	369.462	1.865	20	30		FDEDRO
C=CC[C@H]1[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)CCCC1(C)C	ZINC000444774433	682427278	/nfs/dbraw/zinc/42/72/78/682427278.db2.gz	JDBQYFLONPMTSY-OAHLLOKOSA-N	1	0	359.536	1.451	20	30		FDEDRO
N#CCCN(C(=O)C[NH2+][C@@H](CO)[C@H]1CCCO1)c1cccc(Cl)c1	ZINC000447918023	682579034	/nfs/dbraw/zinc/57/90/34/682579034.db2.gz	RVPRXXNLGMRQOG-JKSUJKDBSA-N	1	0	351.834	1.716	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C)N1CCO	ZINC000451648880	682911399	/nfs/dbraw/zinc/91/13/99/682911399.db2.gz	AFVINTZQCBQABZ-OKILXGFUSA-N	1	0	364.877	1.927	20	30		FDEDRO
CC1(C)CCC[N@@H+]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000452080098	683018917	/nfs/dbraw/zinc/01/89/17/683018917.db2.gz	AYABJYUEQCWLJB-UHFFFAOYSA-N	1	0	352.416	1.619	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN(C)C1CC[NH+](CCC(F)(F)F)CC1	ZINC000452124693	683034164	/nfs/dbraw/zinc/03/41/64/683034164.db2.gz	XYLRLYIYTCBLTQ-UHFFFAOYSA-N	1	0	350.385	1.347	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cnc(C#N)c(Cl)c3)CC[C@@H]21	ZINC000453680289	683184434	/nfs/dbraw/zinc/18/44/34/683184434.db2.gz	VJGFUGBZTKCLRF-NHYWBVRUSA-N	1	0	361.833	1.488	20	30		FDEDRO
C[NH+](C)CCOCCNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N	ZINC000453747846	683204411	/nfs/dbraw/zinc/20/44/11/683204411.db2.gz	LPDLPSYWVCLZRT-UHFFFAOYSA-N	1	0	366.487	1.550	20	30		FDEDRO
CC[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C[C@H](C)OC	ZINC000463425401	684690475	/nfs/dbraw/zinc/69/04/75/684690475.db2.gz	JCYYEQQDULGGGT-HOTGVXAUSA-N	1	0	364.515	1.814	20	30		FDEDRO
C[NH+](C)CCCN(C(=O)c1ccc(C#N)s1)[C@@H]1CCS(=O)(=O)C1	ZINC000467644164	684870704	/nfs/dbraw/zinc/87/07/04/684870704.db2.gz	SQOJOSULAWYUHM-GFCCVEGCSA-N	1	0	355.485	1.201	20	30		FDEDRO
CC(C)[C@@H]([NH2+]CCCSCC#N)C(=O)N(C)Cc1nnc2n1CCC2	ZINC000471000356	685102444	/nfs/dbraw/zinc/10/24/44/685102444.db2.gz	ZWDABHOOWBISHG-MRXNPFEDSA-N	1	0	364.519	1.444	20	30		FDEDRO
CCC[N@H+](CC)CCNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1	ZINC000472226013	685191112	/nfs/dbraw/zinc/19/11/12/685191112.db2.gz	RERJJMFOTFTLMZ-UHFFFAOYSA-N	1	0	366.487	1.259	20	30		FDEDRO
Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)c2cnn(C)c2C#N)C1	ZINC000475999733	685666474	/nfs/dbraw/zinc/66/64/74/685666474.db2.gz	PMPHEKUHYVECKG-CYBMUJFWSA-N	1	0	358.471	1.651	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1	ZINC000480856743	686239630	/nfs/dbraw/zinc/23/96/30/686239630.db2.gz	KMPPJDLXESOCKJ-GUYCJALGSA-N	1	0	363.483	1.363	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000481047071	686286317	/nfs/dbraw/zinc/28/63/17/686286317.db2.gz	ZPMHZSPRRDWMLZ-HNNXBMFYSA-N	1	0	355.435	1.228	20	30		FDEDRO
Cc1cc(CS(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)on1	ZINC000485907753	686797226	/nfs/dbraw/zinc/79/72/26/686797226.db2.gz	NJIUTLWJILDGEE-UHFFFAOYSA-N	1	0	362.455	1.748	20	30		FDEDRO
C[N@@H+]1CC[C@](O)(CNC(=O)Nc2ccc(C#N)c(Br)c2)C1	ZINC000487936904	687014185	/nfs/dbraw/zinc/01/41/85/687014185.db2.gz	UCXQAUITGQWOJF-AWEZNQCLSA-N	1	0	353.220	1.509	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C2CCN(C(=O)[C@H](C)CSC)CC2)CC1	ZINC000507641863	688658316	/nfs/dbraw/zinc/65/83/16/688658316.db2.gz	CLZKWFMLROFKQS-OAHLLOKOSA-N	1	0	367.559	1.991	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1	ZINC000511064591	689457420	/nfs/dbraw/zinc/45/74/20/689457420.db2.gz	LCMLYPYLZJYQED-HOTGVXAUSA-N	1	0	359.536	1.403	20	30		FDEDRO
COCCC1(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CCCC1	ZINC000514825225	689772740	/nfs/dbraw/zinc/77/27/40/689772740.db2.gz	NMFZABXLUQBDCK-UHFFFAOYSA-N	1	0	351.472	1.913	20	30		FDEDRO
C=CCN(C(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[C@@H]1CCS(=O)(=O)C1	ZINC000515867602	689900561	/nfs/dbraw/zinc/90/05/61/689900561.db2.gz	WJJWPUNEEFLVRJ-JKSUJKDBSA-N	1	0	372.556	1.406	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1Br	ZINC000528049522	694697380	/nfs/dbraw/zinc/69/73/80/694697380.db2.gz	QCAJUJHKHHJWBL-CYBMUJFWSA-N	1	0	370.272	1.884	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1	ZINC000636502711	695159969	/nfs/dbraw/zinc/15/99/69/695159969.db2.gz	SBTJNTGRNZTGRL-MRXNPFEDSA-N	1	0	352.523	1.093	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2cccc(F)c2F)CC1	ZINC000636677645	695195599	/nfs/dbraw/zinc/19/55/99/695195599.db2.gz	WLDUPVXHXOUZOK-UHFFFAOYSA-N	1	0	351.397	1.738	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1	ZINC000639026700	695421691	/nfs/dbraw/zinc/42/16/91/695421691.db2.gz	GSAMMFRTSKRONI-WBVHZDCISA-N	1	0	363.483	1.365	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)n1cc(CC[C@H](O)C[NH3+])nn1	ZINC000640930280	695645813	/nfs/dbraw/zinc/64/58/13/695645813.db2.gz	RSXREDNYDYHLGG-HIFRSBDPSA-N	1	0	363.487	1.368	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)n1cc(CC[C@@H](O)C[NH3+])nn1	ZINC000640930282	695645828	/nfs/dbraw/zinc/64/58/28/695645828.db2.gz	RSXREDNYDYHLGG-UKRRQHHQSA-N	1	0	363.487	1.368	20	30		FDEDRO
N#Cc1ccc(C(F)(F)N2CCCO[C@]3(C[NH2+]CCOC3)C2)nc1Cl	ZINC001164421477	718912942	/nfs/dbraw/zinc/91/29/42/718912942.db2.gz	RDXXWQXGPCXRIO-OAHLLOKOSA-N	1	0	372.803	1.737	20	30		FDEDRO
COC(=O)[C@H]1C[NH2+]CCN1C(F)(F)c1cc(OC)nc(Cl)c1C#N	ZINC001164629975	719134748	/nfs/dbraw/zinc/13/47/48/719134748.db2.gz	DVUZSMZRBOTMHB-SNVBAGLBSA-N	1	0	360.748	1.111	20	30		FDEDRO
C[N@@H+]1CCO[C@@H]2CN(c3ccc([C@H](C#N)c4ccccc4F)nn3)C[C@@H]21	ZINC001164673117	719407703	/nfs/dbraw/zinc/40/77/03/719407703.db2.gz	SKZPIWJITFJIAJ-FHLIZLRMSA-N	1	0	353.401	1.790	20	30		FDEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(C#N)ccc1[N+](=O)[O-])CC2	ZINC001164687515	719717800	/nfs/dbraw/zinc/71/78/00/719717800.db2.gz	YRLOYIYMSDABLK-UHFFFAOYSA-N	1	0	358.402	1.042	20	30		FDEDRO
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc(F)cc1C#N)CCC2	ZINC001164814618	720214299	/nfs/dbraw/zinc/21/42/99/720214299.db2.gz	VKNYUTBUFSKNDA-UHFFFAOYSA-N	1	0	370.432	1.900	20	30		FDEDRO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cnc(C#N)cn2)CC1	ZINC001164819651	720300481	/nfs/dbraw/zinc/30/04/81/720300481.db2.gz	FKYIYZGBWPQOOV-SJORKVTESA-N	1	0	354.458	1.260	20	30		FDEDRO
COc1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)ncc1C#N	ZINC001164745021	720608904	/nfs/dbraw/zinc/60/89/04/720608904.db2.gz	UAUILBIBXMKPNZ-GJZGRUSLSA-N	1	0	352.398	1.094	20	30		FDEDRO
N#Cc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cn1	ZINC001164739858	720815578	/nfs/dbraw/zinc/81/55/78/720815578.db2.gz	JCJQDKDIZWAYHD-CGTJXYLNSA-N	1	0	364.457	1.319	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4ccc(C#N)cc43)CC[C@H]2C1	ZINC001164852579	720841717	/nfs/dbraw/zinc/84/17/17/720841717.db2.gz	LALJPGXZEJDOCG-LPHOPBHVSA-N	1	0	367.453	1.675	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3nc(C#N)ccc3[N+](=O)[O-])CC[C@@H]2C1	ZINC001164856705	720854339	/nfs/dbraw/zinc/85/43/39/720854339.db2.gz	PALCNYNVTXVUSW-CJNGLKHVSA-N	1	0	361.402	1.035	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3nc4c(cc3C#N)COCC4)CC[C@H]2C1	ZINC001164856619	720884984	/nfs/dbraw/zinc/88/49/84/720884984.db2.gz	ILOJPULBDNCOSX-HNAYVOBHSA-N	1	0	372.469	1.199	20	30		FDEDRO
CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cnc(C#N)cn4)C3)O2)CC1	ZINC001164885616	721389549	/nfs/dbraw/zinc/38/95/49/721389549.db2.gz	CVLJXLNBMRJKQJ-PKOBYXMFSA-N	1	0	356.474	1.114	20	30		FDEDRO
Cc1cc(C#N)c(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)nc1C	ZINC001164794460	721512005	/nfs/dbraw/zinc/51/20/05/721512005.db2.gz	PZEMGCHGXBDGIH-UHFFFAOYSA-N	1	0	365.485	1.534	20	30		FDEDRO
Cc1ccnc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c1C#N	ZINC001165000256	722251188	/nfs/dbraw/zinc/25/11/88/722251188.db2.gz	NDQAZRRKZREYPV-UHFFFAOYSA-N	1	0	354.458	1.947	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cc(OC)n(C)n2)C[C@H]1C	ZINC001104404689	782227069	/nfs/dbraw/zinc/22/70/69/782227069.db2.gz	ZKNKWGSUVROPPP-HUUCEWRRSA-N	1	0	350.463	1.319	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccn3ccccc23)C[C@H]1C	ZINC001104406955	782358121	/nfs/dbraw/zinc/35/81/21/782358121.db2.gz	TUOPWQKFEZEYHH-IAGOWNOFSA-N	1	0	368.481	1.929	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[N@@H+](C)C[C@@H]2CC)c1	ZINC000684821598	782517643	/nfs/dbraw/zinc/51/76/43/782517643.db2.gz	VYYLQAVTOCKIRO-INIZCTEOSA-N	1	0	365.499	1.707	20	30		FDEDRO
C=CCC1(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CCCC1	ZINC000652426600	805609412	/nfs/dbraw/zinc/60/94/12/805609412.db2.gz	RXVGQSMVBBUSRZ-SFHVURJKSA-N	1	0	364.534	1.829	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)nn1CCC#N	ZINC000277558904	782581339	/nfs/dbraw/zinc/58/13/39/782581339.db2.gz	RKOGYVSNGFCNJF-HNNXBMFYSA-N	1	0	358.446	1.177	20	30		FDEDRO
C[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2C#N)(N2CCOCC2)CC1	ZINC000413478887	782701015	/nfs/dbraw/zinc/70/10/15/782701015.db2.gz	JEABMXDSNNNUPQ-UHFFFAOYSA-N	1	0	359.430	1.675	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@H]1C	ZINC001020399110	769056492	/nfs/dbraw/zinc/05/64/92/769056492.db2.gz	QIKASJLKACNFTD-NBMRYCAZSA-N	1	0	368.437	1.645	20	30		FDEDRO
O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CC(=O)N(c2cn[nH]c2)C1	ZINC000330090339	769676244	/nfs/dbraw/zinc/67/62/44/769676244.db2.gz	WQTLUYCRUSECKJ-KBPBESRZSA-N	1	0	361.446	1.220	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCc3nncn3CC1)C2	ZINC001112477384	770088231	/nfs/dbraw/zinc/08/82/31/770088231.db2.gz	DBJPWBRWBRNYAO-ZWOKBUDYSA-N	1	0	355.486	1.472	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)ccc1F	ZINC000969431277	770189388	/nfs/dbraw/zinc/18/93/88/770189388.db2.gz	AAPLNRYIBKYELH-MJQMVNBJSA-N	1	0	373.428	1.439	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(N4CC=CC4)cc3)[C@H]2C1	ZINC001083190810	770299524	/nfs/dbraw/zinc/29/95/24/770299524.db2.gz	ZSAJFFYKAOAFBN-VQTJNVASSA-N	1	0	351.450	1.611	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cc(C(F)F)nn2C)C[C@H]1C	ZINC001104414285	782825972	/nfs/dbraw/zinc/82/59/72/782825972.db2.gz	NBEKCYNSQSMPEF-ZIAGYGMSSA-N	1	0	368.428	1.695	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCn2nc(C)cc2C)C1	ZINC000969693809	770674614	/nfs/dbraw/zinc/67/46/14/770674614.db2.gz	WYXNKNZFYNDQLP-UHOSZYNNSA-N	1	0	360.502	1.918	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(CC)ccn2)C[C@H]1C	ZINC001104228591	770709842	/nfs/dbraw/zinc/70/98/42/770709842.db2.gz	HOFZUPQHWDQXIQ-NVXWUHKLSA-N	1	0	356.470	1.081	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1c1ccccc1	ZINC001211546095	782870931	/nfs/dbraw/zinc/87/09/31/782870931.db2.gz	VFIVEPXRMCXDSG-DLBZAZTESA-N	1	0	350.484	1.581	20	30		FDEDRO
N#CCOc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)cc1	ZINC001020596226	770927807	/nfs/dbraw/zinc/92/78/07/770927807.db2.gz	HIMOYECBMQNDHB-YYIAUSFCSA-N	1	0	370.453	1.227	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)c1	ZINC001020597336	770932420	/nfs/dbraw/zinc/93/24/20/770932420.db2.gz	LVZQTNCBTJHWAT-OCVGTWLNSA-N	1	0	358.417	1.336	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@@H]1CN(CC(=O)NC(=O)NC2CC2)C[C@H]1C	ZINC001208963447	770983097	/nfs/dbraw/zinc/98/30/97/770983097.db2.gz	KRVAZBASMWRYML-TZMCWYRMSA-N	1	0	350.463	1.013	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCN(c3ccccc3)C2=O)C1	ZINC001020605357	770984624	/nfs/dbraw/zinc/98/46/24/770984624.db2.gz	DNIJHDSULFEYNJ-LIEJCIORSA-N	1	0	369.465	1.620	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+](CCC)C3)[C@@H](O)C2)C1	ZINC000969899488	771049669	/nfs/dbraw/zinc/04/96/69/771049669.db2.gz	BCEQYRUOFORLQD-ZACQAIPSSA-N	1	0	363.502	1.153	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnc(OC)nc2C)C1	ZINC001020726175	771303286	/nfs/dbraw/zinc/30/32/86/771303286.db2.gz	CNQQUQIHFNZEQP-QAETUUGQSA-N	1	0	360.458	1.512	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C(=O)NC)c2)C1	ZINC001020727707	771305855	/nfs/dbraw/zinc/30/58/55/771305855.db2.gz	LKIPPRNUGNCSDC-VJANTYMQSA-N	1	0	371.481	1.764	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2csnc2OC)C1	ZINC001020728447	771307251	/nfs/dbraw/zinc/30/72/51/771307251.db2.gz	YJSPHGQHAHUQCG-AJNGGQMLSA-N	1	0	351.472	1.870	20	30		FDEDRO
C[C@H](C(=O)N[C@@H]1c2ccccc2CC[C@H]1[NH+]1CCCC1)n1cnc(C#N)n1	ZINC000892264505	782917383	/nfs/dbraw/zinc/91/73/83/782917383.db2.gz	DSCKGDYORVQOIM-LSBZLQRGSA-N	1	0	364.453	1.979	20	30		FDEDRO
C[C@H](C(=O)N[C@H]1c2ccccc2CC[C@@H]1[NH+]1CCCC1)n1cnc(C#N)n1	ZINC000892264503	782917452	/nfs/dbraw/zinc/91/74/52/782917452.db2.gz	DSCKGDYORVQOIM-LJHODMEESA-N	1	0	364.453	1.979	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2c(C)cncc2C)C[C@H]1C	ZINC001104415433	782922541	/nfs/dbraw/zinc/92/25/41/782922541.db2.gz	QRNBOXBQQDNLJV-FGTMMUONSA-N	1	0	370.497	1.524	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3nnc4c3CCCC4)[C@H]2C1	ZINC001083196197	771476210	/nfs/dbraw/zinc/47/62/10/771476210.db2.gz	IXHNJZMFWRNSQC-ZWKOTPCHSA-N	1	0	359.474	1.035	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cc(C)nc(C)c2)C[C@H]1C	ZINC001104241089	771634983	/nfs/dbraw/zinc/63/49/83/771634983.db2.gz	JYDYIKKWNFDTLZ-FHLIZLRMSA-N	1	0	370.497	1.524	20	30		FDEDRO
N#CCC1(CNC(=O)C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1	ZINC000430352603	771660253	/nfs/dbraw/zinc/66/02/53/771660253.db2.gz	LIFJKXKWDPPUPN-UHFFFAOYSA-N	1	0	372.494	1.984	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NC2CC2)C1	ZINC001104245458	771763879	/nfs/dbraw/zinc/76/38/79/771763879.db2.gz	IZAAIXNGANCWGQ-HUUCEWRRSA-N	1	0	364.490	1.405	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](n2cc(C[NH2+]C(C)C)nn2)C1	ZINC001075376082	771848159	/nfs/dbraw/zinc/84/81/59/771848159.db2.gz	LUZXBCNFBQQQOF-KURKYZTESA-N	1	0	361.490	1.921	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]Cc2nnc(CC)n2C)CC1	ZINC001167274600	771851365	/nfs/dbraw/zinc/85/13/65/771851365.db2.gz	WEGUNPOEJBYVIZ-CABCVRRESA-N	1	0	361.490	1.345	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3c(C)noc3C)[C@@H]2C1	ZINC001021051135	772003394	/nfs/dbraw/zinc/00/33/94/772003394.db2.gz	NTYLNNNQFHTSKR-YESZJQIVSA-N	1	0	370.453	1.062	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccnc(OC)n2)C1	ZINC000970221062	772130294	/nfs/dbraw/zinc/13/02/94/772130294.db2.gz	QGINNSQBOQTZDU-IKGGRYGDSA-N	1	0	360.458	1.547	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)C(CC)CC)[C@@H]3C2)CC1	ZINC001021124858	772207129	/nfs/dbraw/zinc/20/71/29/772207129.db2.gz	GOWQOLTZEKSFTM-RBUKOAKNSA-N	1	0	359.514	1.827	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCc4sc(C)nc43)[C@H]2C1	ZINC001083245693	782994109	/nfs/dbraw/zinc/99/41/09/782994109.db2.gz	DLWJBAIEMYGHFO-OWCLPIDISA-N	1	0	359.495	1.806	20	30		FDEDRO
C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1	ZINC000970420078	772583696	/nfs/dbraw/zinc/58/36/96/772583696.db2.gz	KWQGGWHUVQBYFX-RYQLBKOJSA-N	1	0	363.502	1.559	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(OCCOC)nc2)C[C@H]1C	ZINC001104266527	772631176	/nfs/dbraw/zinc/63/11/76/772631176.db2.gz	LQKLUKVSPMVAJA-SJLPKXTDSA-N	1	0	359.470	1.818	20	30		FDEDRO
CC[C@H](CC(F)F)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104279696	772755613	/nfs/dbraw/zinc/75/56/13/772755613.db2.gz	LTPDBWUPOWHRTH-MGPQQGTHSA-N	1	0	358.433	1.382	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3ncncc3C2)C[C@H]1C	ZINC001104282427	772774935	/nfs/dbraw/zinc/77/49/35/772774935.db2.gz	AFQZXDCMXAYNTE-FGTMMUONSA-N	1	0	370.497	1.306	20	30		FDEDRO
CC/C=C(/C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC#N)C1	ZINC001211549391	783045582	/nfs/dbraw/zinc/04/55/82/783045582.db2.gz	HDQRGSASVNAFJG-BVQORUGKSA-N	1	0	354.454	1.567	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1	ZINC001021326335	772915727	/nfs/dbraw/zinc/91/57/27/772915727.db2.gz	WJBYKWYMSNYYNK-RYQLBKOJSA-N	1	0	369.469	1.432	20	30		FDEDRO
CC1CC[NH+](CC(=O)N2C[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)CC1	ZINC001021326425	772917022	/nfs/dbraw/zinc/91/70/22/772917022.db2.gz	XOSKIVRYYPFYQQ-FUHWJXTLSA-N	1	0	369.469	1.291	20	30		FDEDRO
[NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1)C(F)(F)F	ZINC000655958035	773061496	/nfs/dbraw/zinc/06/14/96/773061496.db2.gz	HTBJMLBUPJLBGZ-QMMMGPOBSA-N	1	0	361.217	1.789	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2cnc(C)o2)C[C@H]1C	ZINC001104287981	773075531	/nfs/dbraw/zinc/07/55/31/773075531.db2.gz	OLWQJEPUZOAQNV-IJEWVQPXSA-N	1	0	362.474	1.290	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cncn1	ZINC001021407544	773218967	/nfs/dbraw/zinc/21/89/67/773218967.db2.gz	PCWJDWPTESESCX-KKGYMGPXSA-N	1	0	359.474	1.371	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1nc(C)no1	ZINC001021406928	773231291	/nfs/dbraw/zinc/23/12/91/773231291.db2.gz	CSDLNFGQBUIVAE-VCGNEYLSSA-N	1	0	360.458	1.971	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1	ZINC000656026339	773315239	/nfs/dbraw/zinc/31/52/39/773315239.db2.gz	FCWSEHUTVTUHNP-BBWFWOEESA-N	1	0	351.491	1.594	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cccn2C)C1=O	ZINC001087122444	773685705	/nfs/dbraw/zinc/68/57/05/773685705.db2.gz	SOQPKZUIGJWTCN-IKGGRYGDSA-N	1	0	358.486	1.642	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1COCCN1CC(F)F)C2	ZINC001112492535	773697801	/nfs/dbraw/zinc/69/78/01/773697801.db2.gz	AMXWGZUKYWQXIU-MPGHIAIKSA-N	1	0	357.445	1.357	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(F)ccc2F)C[C@H]1C	ZINC001104293874	773875173	/nfs/dbraw/zinc/87/51/73/773875173.db2.gz	JWNDXFDJPJMMPL-ZIAGYGMSSA-N	1	0	363.408	1.402	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(C)C)C1	ZINC001104293912	773876089	/nfs/dbraw/zinc/87/60/89/773876089.db2.gz	LQJPCHWHSUOCHB-IAGOWNOFSA-N	1	0	360.502	1.887	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ncnn2C)C1	ZINC001104293953	773876400	/nfs/dbraw/zinc/87/64/00/773876400.db2.gz	MXIWKPMJWZPXKM-HZPDHXFCSA-N	1	0	356.474	1.691	20	30		FDEDRO
CC(C)(C(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21)[NH+]1CCCCC1	ZINC000972295542	783148006	/nfs/dbraw/zinc/14/80/06/783148006.db2.gz	IPRNNXXQVXESIC-QZTJIDSGSA-N	1	0	357.498	1.724	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O	ZINC000891256893	774165867	/nfs/dbraw/zinc/16/58/67/774165867.db2.gz	FCECBTRQGYSQRB-TZMCWYRMSA-N	1	0	368.421	1.462	20	30		FDEDRO
COc1c2cnn(C)c2ncc1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	ZINC000328716473	774178934	/nfs/dbraw/zinc/17/89/34/774178934.db2.gz	OWNYSGVYCZXYDL-UHFFFAOYSA-N	1	0	360.462	1.308	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnc(C)cn2)C1	ZINC001104305967	774437110	/nfs/dbraw/zinc/43/71/10/774437110.db2.gz	CMZNNGWFSYWRSE-POAQFYNOSA-N	1	0	369.513	1.457	20	30		FDEDRO
COCC1(CNC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)CC[NH2+]CC1	ZINC000261824958	774479173	/nfs/dbraw/zinc/47/91/73/774479173.db2.gz	YHYHFCFYVPXJDU-UHFFFAOYSA-N	1	0	360.458	1.341	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(C)([NH+]2CCC2)CC1	ZINC000891307427	774578642	/nfs/dbraw/zinc/57/86/42/774578642.db2.gz	IMBRYXCYCPVSAT-UHFFFAOYSA-N	1	0	356.426	1.592	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])CC2)c1	ZINC000262025912	774634090	/nfs/dbraw/zinc/63/40/90/774634090.db2.gz	ZIJXDGLYXJGZBW-GIOYIUAESA-N	1	0	353.470	1.755	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)cc1	ZINC001021701708	774677921	/nfs/dbraw/zinc/67/79/21/774677921.db2.gz	DIDACYFRSGXLKG-GBESFXJTSA-N	1	0	351.450	1.293	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCN2c2ncccn2)C[C@H]1C	ZINC001104314275	774698807	/nfs/dbraw/zinc/69/88/07/774698807.db2.gz	MYGVTWRSUVBNAZ-KURKYZTESA-N	1	0	355.486	1.543	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(-n3cncn3)cc2)C[C@H]1C	ZINC001104315062	774709285	/nfs/dbraw/zinc/70/92/85/774709285.db2.gz	JJRHFVDFEHFBKB-SJLPKXTDSA-N	1	0	351.454	1.978	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1(C[NH2+]Cc2cnn(CC)n2)CC1	ZINC001167435200	774841666	/nfs/dbraw/zinc/84/16/66/774841666.db2.gz	NLINCFCNAOGOTF-IRXDYDNUSA-N	1	0	361.490	1.655	20	30		FDEDRO
C=CCOc1ccc(/C=C/C(=O)N2CCN(C)CC[N@H+](C)CC2)cc1OC	ZINC000888977749	775015932	/nfs/dbraw/zinc/01/59/32/775015932.db2.gz	MUKWEOJLRZBZQS-VQHVLOKHSA-N	1	0	373.497	1.979	20	30		FDEDRO
CCn1nc(C)c(CNC[C@@H]2C[C@H](C)CCN2C(=O)c2cc(C#N)c[nH]2)n1	ZINC001087143417	775203131	/nfs/dbraw/zinc/20/31/31/775203131.db2.gz	CBDIZWZNWRJSSP-CJNGLKHVSA-N	1	0	369.473	1.837	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1	ZINC001104329573	775337368	/nfs/dbraw/zinc/33/73/68/775337368.db2.gz	PCEAVZIZABTLFT-ATZDWAIDSA-N	1	0	368.481	1.801	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)c2ccnn2CCOC)C[C@H]1C	ZINC001104334041	775486904	/nfs/dbraw/zinc/48/69/04/775486904.db2.gz	NTTWUCPZDLJFFN-UKRRQHHQSA-N	1	0	354.882	1.970	20	30		FDEDRO
N#CCOc1cccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1	ZINC000276079903	775719243	/nfs/dbraw/zinc/71/92/43/775719243.db2.gz	UJIUGEKBWZYUMM-INIZCTEOSA-N	1	0	356.426	1.614	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)c4ccoc4)[C@@H]3C2)CC1	ZINC000971316660	775837806	/nfs/dbraw/zinc/83/78/06/775837806.db2.gz	QQEZWJPVKGKOKS-SJLPKXTDSA-N	1	0	355.438	1.298	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cocc2C)C[C@H]1c1ccccc1	ZINC001211648464	790396516	/nfs/dbraw/zinc/39/65/16/790396516.db2.gz	AMVFWGNCIXYUGR-PKOBYXMFSA-N	1	0	365.433	1.535	20	30		FDEDRO
CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2ccc(C#N)[nH]2)C1=O	ZINC001087150876	775993586	/nfs/dbraw/zinc/99/35/86/775993586.db2.gz	OIOIQGYYTJJMGE-KBMXLJTQSA-N	1	0	357.458	1.337	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CCO[C@@H]3C[N@@H+](CC[C@@H](C)F)C[C@@H]32)cc1	ZINC001083217332	776466953	/nfs/dbraw/zinc/46/69/53/776466953.db2.gz	SYYJRXLQFAINAA-AYOQOUSVSA-N	1	0	360.429	1.972	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C[C@@H]4C=CCC4)C[C@H]32)CC1	ZINC001021883312	776482971	/nfs/dbraw/zinc/48/29/71/776482971.db2.gz	CYAOAYDNGHLJQT-YZGWKJHDSA-N	1	0	369.509	1.747	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4C[C@H]4C4CC4)C[C@H]32)CC1	ZINC001021886850	776502345	/nfs/dbraw/zinc/50/23/45/776502345.db2.gz	VXOLUWSDZPEUQW-VNTMZGSJSA-N	1	0	369.509	1.437	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C(C)(C)C=C)C[C@H]32)CC1	ZINC001021886910	776502611	/nfs/dbraw/zinc/50/26/11/776502611.db2.gz	XJWWVDPSGDRLTK-ZWKOTPCHSA-N	1	0	357.498	1.603	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]21	ZINC001021937583	776741109	/nfs/dbraw/zinc/74/11/09/776741109.db2.gz	QTGCREUUPAERGY-LZLYRXPVSA-N	1	0	356.470	1.441	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3c(c2)nnn3C)C[C@H]1C	ZINC001104354222	776834557	/nfs/dbraw/zinc/83/45/57/776834557.db2.gz	WQJBBAWMDBDBPR-NVXWUHKLSA-N	1	0	369.469	1.306	20	30		FDEDRO
CCC(CC)[NH2+]CCNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000892713202	790493390	/nfs/dbraw/zinc/49/33/90/790493390.db2.gz	ZAJGVZDQUXKRRV-UHFFFAOYSA-N	1	0	358.490	1.999	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H]2CCCNC2=O)C1	ZINC001075421318	777076997	/nfs/dbraw/zinc/07/69/97/777076997.db2.gz	ZFDVJTAWYCCVPW-QRQLOZEOSA-N	1	0	371.456	1.507	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2ccccc2)C[C@H]1C	ZINC001104358716	777082899	/nfs/dbraw/zinc/08/28/99/777082899.db2.gz	HAXBKWOSSBRHGG-ZIFCJYIRSA-N	1	0	355.482	1.441	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1	ZINC001075422078	777249079	/nfs/dbraw/zinc/24/90/79/777249079.db2.gz	JRLDVXPAOTUOSZ-XLSIIYIISA-N	1	0	356.441	1.873	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccncc2)C[C@H]1c1ccccc1	ZINC001211516740	777528204	/nfs/dbraw/zinc/52/82/04/777528204.db2.gz	FSZSEVDWRJYGKM-RBUKOAKNSA-N	1	0	364.449	1.582	20	30		FDEDRO
CC[NH+]=C(NCC1(CO)CCOCC1)N1CC[C@H](C)[C@H](n2ccnc2)C1	ZINC000261945149	778011380	/nfs/dbraw/zinc/01/13/80/778011380.db2.gz	FRVOKJKUUZOQCW-DLBZAZTESA-N	1	0	363.506	1.521	20	30		FDEDRO
CCC(CC)[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104368898	778045252	/nfs/dbraw/zinc/04/52/52/778045252.db2.gz	ONPBKGNSXVIYGK-BFYDXBDKSA-N	1	0	350.507	1.773	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ncn3ccc(C)cc23)C[C@H]1C	ZINC001104370287	778196222	/nfs/dbraw/zinc/19/62/22/778196222.db2.gz	UAESMSRBKBGOQD-QZTJIDSGSA-N	1	0	368.481	1.980	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cnc3ccccn32)C[C@H]1C	ZINC001104370433	778209054	/nfs/dbraw/zinc/20/90/54/778209054.db2.gz	VUHNXPNMTIWHDS-HZPDHXFCSA-N	1	0	369.469	1.324	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnc3ccccn32)C[C@H]1C	ZINC001104371311	778254240	/nfs/dbraw/zinc/25/42/40/778254240.db2.gz	UCFSHZFRNOJVEP-IAGOWNOFSA-N	1	0	354.454	1.672	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3C[C@H](C)[N@@H+](C4CC4)C3)CC2)o1	ZINC000276606436	778376553	/nfs/dbraw/zinc/37/65/53/778376553.db2.gz	OYBIFSKKXGTTQE-WFASDCNBSA-N	1	0	357.458	1.813	20	30		FDEDRO
C[C@@H](NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1cccc(C#N)c1	ZINC000891621081	778586534	/nfs/dbraw/zinc/58/65/34/778586534.db2.gz	FHCDLYHBMOJNDZ-ZFVVBOAOSA-N	1	0	369.425	1.196	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3CCN(C(=O)C[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)c1	ZINC001022212423	778634291	/nfs/dbraw/zinc/63/42/91/778634291.db2.gz	CXXIIFGETSPGDP-ZIFCJYIRSA-N	1	0	366.465	1.078	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H](C)C4CC4)[C@@H]3C2)CC1	ZINC000971699390	778749849	/nfs/dbraw/zinc/74/98/49/778749849.db2.gz	QTEROONPQSWVNG-KFKAGJAMSA-N	1	0	357.498	1.437	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCNC2=O)C1	ZINC001112507002	778750716	/nfs/dbraw/zinc/75/07/16/778750716.db2.gz	RDNGOXYUAMKKGH-JXFKEZNVSA-N	1	0	362.518	1.832	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)COCC)C[C@H]1c1ccccc1	ZINC001211522217	778962476	/nfs/dbraw/zinc/96/24/76/778962476.db2.gz	HUYTZSSZJRLQAK-RYQLBKOJSA-N	1	0	359.470	1.298	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCO2)C[C@H]1c1ccccc1	ZINC001211522549	779113711	/nfs/dbraw/zinc/11/37/11/779113711.db2.gz	WZIGAOIPUMRRSQ-KSZLIROESA-N	1	0	357.454	1.052	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCn2cncn2)CCCCC1	ZINC001111484193	779275681	/nfs/dbraw/zinc/27/56/81/779275681.db2.gz	XISCJEOXHQXPJT-KURKYZTESA-N	1	0	355.486	1.973	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)o2)C[C@H]1C	ZINC001104385051	779716792	/nfs/dbraw/zinc/71/67/92/779716792.db2.gz	YECSQMKYQYNCKU-CHWSQXEVSA-N	1	0	355.460	1.191	20	30		FDEDRO
CCN(C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H]1CC[NH2+]C1	ZINC000891850956	779738045	/nfs/dbraw/zinc/73/80/45/779738045.db2.gz	AHJCOYGJMSWZAT-IRXDYDNUSA-N	1	0	355.442	1.053	20	30		FDEDRO
[NH3+]C[C@@H]1CN(C(=O)NCCOCC(F)(F)C(F)F)C[C@@H]1C(F)(F)F	ZINC000891858458	779812134	/nfs/dbraw/zinc/81/21/34/779812134.db2.gz	QHVMQOHGWHBALK-SFYZADRCSA-N	1	0	369.281	1.682	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[NH+](C)C	ZINC000290249552	790776729	/nfs/dbraw/zinc/77/67/29/790776729.db2.gz	MYHSYGJQHQHFBT-ZDUSSCGKSA-N	1	0	367.409	1.750	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccnc(C3CC3)c2)C[C@H]1C	ZINC001104390181	780660570	/nfs/dbraw/zinc/66/05/70/780660570.db2.gz	LGDZQFKAYBPOLJ-CRAIPNDOSA-N	1	0	370.497	1.949	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(c3nc(F)c(F)cc3F)CC2)CC1	ZINC000277149754	780890498	/nfs/dbraw/zinc/89/04/98/780890498.db2.gz	QEAXDDFEJSUWPH-UHFFFAOYSA-N	1	0	366.387	1.493	20	30		FDEDRO
Cc1noc(C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c2ccccc2)n1	ZINC000277154849	780905579	/nfs/dbraw/zinc/90/55/79/780905579.db2.gz	JWJVBNODGHBARA-QGZVFWFLSA-N	1	0	366.425	1.907	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(C)sc2C)C[C@H]1C	ZINC001104392898	780940766	/nfs/dbraw/zinc/94/07/66/780940766.db2.gz	DNVPAFXMZZJAGY-CZUORRHYSA-N	1	0	361.511	1.802	20	30		FDEDRO
C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1	ZINC000277177984	780993833	/nfs/dbraw/zinc/99/38/33/780993833.db2.gz	UMNMAQRNJKZGHE-CQSZACIVSA-N	1	0	360.462	1.391	20	30		FDEDRO
N#Cc1ccc(CCC(=O)N2CCN(CC[N@@H+]3CCCOCC3)CC2)cc1	ZINC000376922526	790854757	/nfs/dbraw/zinc/85/47/57/790854757.db2.gz	KJYVMDRPHRFDEN-UHFFFAOYSA-N	1	0	370.497	1.357	20	30		FDEDRO
Cc1ccc(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)cc1	ZINC001104397154	781242427	/nfs/dbraw/zinc/24/24/27/781242427.db2.gz	ALZRSRFFNUNMFK-SJLPKXTDSA-N	1	0	356.470	1.252	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cnn(CCC#N)c2C)[C@H](C)C1	ZINC000889009585	781527347	/nfs/dbraw/zinc/52/73/47/781527347.db2.gz	LSXJJNRPCSUTAN-QAPCUYQASA-N	1	0	361.490	1.972	20	30		FDEDRO
C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C	ZINC000472120604	781712627	/nfs/dbraw/zinc/71/26/27/781712627.db2.gz	SBHRCOSIGVXLGV-HNAYVOBHSA-N	1	0	366.506	1.390	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+][C@H]2CCCNC2=O)cc1	ZINC001087197331	781828369	/nfs/dbraw/zinc/82/83/69/781828369.db2.gz	JKLYJQDNXKKCGO-MNEFBYGVSA-N	1	0	353.466	1.777	20	30		FDEDRO
CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2cc(F)cc(C#N)c2)CC1	ZINC000866874314	783237369	/nfs/dbraw/zinc/23/73/69/783237369.db2.gz	ONXSMZAKYHDBNR-AWEZNQCLSA-N	1	0	368.478	1.249	20	30		FDEDRO
[O-]C(=[NH+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCC[C@H]1Cn1ccnn1	ZINC000329095119	783382829	/nfs/dbraw/zinc/38/28/29/783382829.db2.gz	XUCDBZBWGVWWCE-BBWFWOEESA-N	1	0	362.478	1.034	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCS(C)(=O)=O)C1	ZINC001112513575	783417812	/nfs/dbraw/zinc/41/78/12/783417812.db2.gz	FDLAICJUKGGLEO-HKUYNNGSSA-N	1	0	368.543	1.833	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N2CCO[C@@H]3CN(CC#Cc4ccccc4)C[C@@H]32)C1	ZINC001083247965	783426186	/nfs/dbraw/zinc/42/61/86/783426186.db2.gz	LTJHBMLYVFSZDF-PCCBWWKXSA-N	1	0	367.493	1.292	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)C1CC1)C2	ZINC001112513605	783443361	/nfs/dbraw/zinc/44/33/61/783443361.db2.gz	GNBRPDIHEWVNBC-WJPUGNRLSA-N	1	0	359.514	1.779	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc3c(c2)nnn3C)C1	ZINC000972373024	783530416	/nfs/dbraw/zinc/53/04/16/783530416.db2.gz	JWTHMJHTHBFOSB-FCEWJHQRSA-N	1	0	369.469	1.592	20	30		FDEDRO
C=CCn1c([C@@H]2CCO[C@H]2C)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1	ZINC000647371485	783731283	/nfs/dbraw/zinc/73/12/83/783731283.db2.gz	RGJJSUUOWSRPIG-VVLHAWIVSA-N	1	0	363.506	1.902	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc3ncnn32)C[C@H]1c1ccccc1	ZINC001211629392	783772785	/nfs/dbraw/zinc/77/27/85/783772785.db2.gz	OENGOFPODXMGJE-ZWKOTPCHSA-N	1	0	359.433	1.950	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1	ZINC001024128586	783774396	/nfs/dbraw/zinc/77/43/96/783774396.db2.gz	VVNNPHPWSUXGRG-IAGOWNOFSA-N	1	0	359.470	1.262	20	30		FDEDRO
C=CCn1c([C@H]2CCO[C@H]2C)nnc1N1CC[NH+](C(C)(C)COC)CC1	ZINC000647375954	783779705	/nfs/dbraw/zinc/77/97/05/783779705.db2.gz	JPROTHIJCVXPBC-HOTGVXAUSA-N	1	0	363.506	1.904	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)C(=O)NC(=O)NC)C1	ZINC001112520232	783963314	/nfs/dbraw/zinc/96/33/14/783963314.db2.gz	VASHSDBSHHHSHH-DOXZYTNZSA-N	1	0	364.490	1.405	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1F	ZINC001024158113	784035425	/nfs/dbraw/zinc/03/54/25/784035425.db2.gz	KQSBHEPMHCAPEW-IMJJTQAJSA-N	1	0	358.417	1.147	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2cccc(C(N)=O)c2)C1	ZINC001024164907	784158047	/nfs/dbraw/zinc/15/80/47/784158047.db2.gz	IWUUVMDBHDQNQO-QRQLOZEOSA-N	1	0	371.481	1.705	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2snnc2C)C1	ZINC001024165305	784168246	/nfs/dbraw/zinc/16/82/46/784168246.db2.gz	NOERBERNHSMKDW-KFWWJZLASA-N	1	0	350.488	1.766	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN(C)S(C)(=O)=O)C1	ZINC001112520773	784216269	/nfs/dbraw/zinc/21/62/69/784216269.db2.gz	XECXQRYYXNBOFJ-WMZOPIPTSA-N	1	0	371.547	1.452	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2cnnn2CC)C1	ZINC001024195613	784307514	/nfs/dbraw/zinc/30/75/14/784307514.db2.gz	FDQUNLISHVGREI-NJAFHUGGSA-N	1	0	361.490	1.607	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)C1	ZINC000658578031	784454583	/nfs/dbraw/zinc/45/45/83/784454583.db2.gz	UAWXEZPCRSRGES-INIZCTEOSA-N	1	0	351.491	1.106	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCS(C)(=O)=O)C1	ZINC001112521059	784489350	/nfs/dbraw/zinc/48/93/50/784489350.db2.gz	LVFCWCHCESXWKE-WMZOPIPTSA-N	1	0	356.532	1.996	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2C(=O)CNC2=O)C1	ZINC001112521085	784490576	/nfs/dbraw/zinc/49/05/76/784490576.db2.gz	MSNXEXKVFRNHGF-KXBFYZLASA-N	1	0	362.474	1.113	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(C#N)c2)C1	ZINC001024445510	784674049	/nfs/dbraw/zinc/67/40/49/784674049.db2.gz	OHZVZDSMCIAAHC-AYOQOUSVSA-N	1	0	368.481	1.944	20	30		FDEDRO
C=CC[C@@H](Cc1ccccc1)NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O	ZINC000413834252	785495257	/nfs/dbraw/zinc/49/52/57/785495257.db2.gz	LPCSYDZWJGVODO-ROUUACIJSA-N	1	0	358.486	1.813	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2c3c(nn2C)CCC3)C1	ZINC001111935864	785633315	/nfs/dbraw/zinc/63/33/15/785633315.db2.gz	XCCAVLAPXONCGV-YWZLYKJASA-N	1	0	358.486	1.696	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21	ZINC000978710194	805685035	/nfs/dbraw/zinc/68/50/35/805685035.db2.gz	DERRWTBMHFTQBA-XKRYSZRTSA-N	1	0	350.462	1.923	20	30		FDEDRO
COC(=O)CC(C)(C)[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000177924601	786857703	/nfs/dbraw/zinc/85/77/03/786857703.db2.gz	KODDEOJBMARTHO-UHFFFAOYSA-N	1	0	355.398	1.614	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001024987841	787056282	/nfs/dbraw/zinc/05/62/82/787056282.db2.gz	WOBYPBWNAIINKB-IPELMVKDSA-N	1	0	357.454	1.833	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1	ZINC000376328607	787306156	/nfs/dbraw/zinc/30/61/56/787306156.db2.gz	UGBXEFZFYWLONI-KRWDZBQOSA-N	1	0	363.506	1.616	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc2n(n1)CCC2	ZINC001025090915	787829072	/nfs/dbraw/zinc/82/90/72/787829072.db2.gz	URFXLGFMPQURCN-QRVBRYPASA-N	1	0	358.486	1.891	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1	ZINC001104557709	787832795	/nfs/dbraw/zinc/83/27/95/787832795.db2.gz	SSQHCCZRGOTLNA-LZQZEXGQSA-N	1	0	368.481	1.611	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1	ZINC001025176122	788190042	/nfs/dbraw/zinc/19/00/42/788190042.db2.gz	YACQCRORONBXBW-ARFHVFGLSA-N	1	0	351.491	1.009	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2(C(F)F)CCCC2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104578218	788388727	/nfs/dbraw/zinc/38/87/27/788388727.db2.gz	NGQWOSONAZPIHP-ZIAGYGMSSA-N	1	0	370.444	1.526	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CN(C(C)C)CCO2)C[C@H]1C	ZINC001104579399	788465719	/nfs/dbraw/zinc/46/57/19/788465719.db2.gz	BJBUNXAZJCNSNJ-QRVBRYPASA-N	1	0	367.534	1.372	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NC)C1	ZINC001211685770	805880710	/nfs/dbraw/zinc/88/07/10/805880710.db2.gz	JLNACBPJWLXFEB-GNBUJSLZSA-N	1	0	371.481	1.298	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1	ZINC000973324060	788556575	/nfs/dbraw/zinc/55/65/75/788556575.db2.gz	VOEIGWZADRTYNB-TXTZMMAHSA-N	1	0	363.502	1.605	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2cc(C)cc(C)c2)C[C@H]1C	ZINC001104619877	788922562	/nfs/dbraw/zinc/92/25/62/788922562.db2.gz	QFUFQRAMPSDTDD-UYAOXDASSA-N	1	0	369.509	1.670	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2conc2CC)C[C@H]1C	ZINC001104645680	789136560	/nfs/dbraw/zinc/13/65/60/789136560.db2.gz	MUGZSCBAGMDHRJ-QLFBSQMISA-N	1	0	362.474	1.616	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](C)c3nnc(C)[nH]3)C2)c1	ZINC001104659674	789179603	/nfs/dbraw/zinc/17/96/03/789179603.db2.gz	SNIWVKDUFWCTLP-CKEIUWERSA-N	1	0	366.469	1.938	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC3CC3)C2)c1	ZINC001104659435	789181998	/nfs/dbraw/zinc/18/19/98/789181998.db2.gz	KXDQNVMTANLSCR-BFYDXBDKSA-N	1	0	368.481	1.418	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3ncn(C)c3n2)C[C@H]1C	ZINC001104672626	789270224	/nfs/dbraw/zinc/27/02/24/789270224.db2.gz	MNHCSCUXFNXGNQ-HZPDHXFCSA-N	1	0	369.469	1.306	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2ccnc3c2ncn3C)C[C@H]1C	ZINC001104667162	789273277	/nfs/dbraw/zinc/27/32/77/789273277.db2.gz	FCUFIOAKXNTJHT-HZPDHXFCSA-N	1	0	371.485	1.859	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCCC(=O)N2)C[C@H]1C	ZINC001104667367	789274296	/nfs/dbraw/zinc/27/42/96/789274296.db2.gz	LUUQAIRXHRDOGM-ZACQAIPSSA-N	1	0	351.491	1.322	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CC[NH2+]Cc1cc(F)ccc1C#N	ZINC001104686760	789377851	/nfs/dbraw/zinc/37/78/51/789377851.db2.gz	OHMPSSSOQLUPFU-FOZNTRSISA-N	1	0	372.444	1.393	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CCNCc2nc(CC)no2)C1	ZINC001104699867	789520819	/nfs/dbraw/zinc/52/08/19/789520819.db2.gz	OCBMCYUZMQJKMP-FPCVCCKLSA-N	1	0	362.474	1.797	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCN(Cc3nccn3C)C2=O)cc1	ZINC000782977961	789542794	/nfs/dbraw/zinc/54/27/94/789542794.db2.gz	HFHHLVKTMISKHV-MAUKXSAKSA-N	1	0	367.453	1.992	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN(C)c2ccccc2)C1	ZINC001112020745	789566547	/nfs/dbraw/zinc/56/65/47/789566547.db2.gz	YMRPVTPCDFCSOF-RXVVDRJESA-N	1	0	355.482	1.743	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCO[C@H](C[NH3+])C2)cc1	ZINC000415014934	791201708	/nfs/dbraw/zinc/20/17/08/791201708.db2.gz	MKIVPMIMHHHZQZ-QGZVFWFLSA-N	1	0	358.442	1.692	20	30		FDEDRO
C=CCOc1ccc(CNC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1	ZINC000377197925	791232841	/nfs/dbraw/zinc/23/28/41/791232841.db2.gz	PRIIBBMYUCDHON-MOPGFXCFSA-N	1	0	359.470	1.992	20	30		FDEDRO
C[C@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)CCN1C1CC[NH+](C)CC1	ZINC000377253390	791381889	/nfs/dbraw/zinc/38/18/89/791381889.db2.gz	CJKNSOANXKBIRA-INIZCTEOSA-N	1	0	369.465	1.394	20	30		FDEDRO
C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1	ZINC000415173867	791557523	/nfs/dbraw/zinc/55/75/23/791557523.db2.gz	BSMJACHBIZJTLJ-UHFFFAOYSA-N	1	0	364.405	1.506	20	30		FDEDRO
C[C@@H](O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1	ZINC001087424798	806083169	/nfs/dbraw/zinc/08/31/69/806083169.db2.gz	QPMPMHWDJRMZND-LSBZLQRGSA-N	1	0	352.438	1.855	20	30		FDEDRO
C[C@H](C(N)=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1	ZINC001087424921	806101987	/nfs/dbraw/zinc/10/19/87/806101987.db2.gz	XBABMRINTOKJLE-MZMPZRCHSA-N	1	0	365.437	1.348	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)Cc3ccccc3)C[C@H]21	ZINC001025790787	792040725	/nfs/dbraw/zinc/04/07/25/792040725.db2.gz	OXCDPEUGQHZAJG-SQDPYLFBSA-N	1	0	370.493	1.618	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1=O	ZINC001025796456	792079718	/nfs/dbraw/zinc/07/97/18/792079718.db2.gz	AVCNVXAVVAPXSK-KNEKCZJMSA-N	1	0	355.482	1.422	20	30		FDEDRO
CCCN(C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H]1CC[NH2+]C1	ZINC000415384796	792138585	/nfs/dbraw/zinc/13/85/85/792138585.db2.gz	AERUZVJMZPNFIU-GFCCVEGCSA-N	1	0	366.368	1.699	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1	ZINC000415390807	792162704	/nfs/dbraw/zinc/16/27/04/792162704.db2.gz	VBSLZXCUQOFLCM-CYBMUJFWSA-N	1	0	373.457	1.518	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)cc1	ZINC000415387790	792171355	/nfs/dbraw/zinc/17/13/55/792171355.db2.gz	YIACKTBCYCZGJU-QGZVFWFLSA-N	1	0	370.453	1.308	20	30		FDEDRO
COC(=O)c1cc(CN2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cn1C	ZINC000377548598	792177537	/nfs/dbraw/zinc/17/75/37/792177537.db2.gz	HWMMOPVKOIENCK-XOBRGWDASA-N	1	0	364.405	1.657	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)c1	ZINC000415418233	792216128	/nfs/dbraw/zinc/21/61/28/792216128.db2.gz	XNFLJMBDJNQULN-NSHDSACASA-N	1	0	366.368	1.604	20	30		FDEDRO
C=CCN(C(=O)CCN1C(=O)CCC1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000377572906	792233243	/nfs/dbraw/zinc/23/32/43/792233243.db2.gz	LOOKTTVZSDGACM-SFHVURJKSA-N	1	0	369.465	1.815	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)cc1	ZINC000415426325	792245860	/nfs/dbraw/zinc/24/58/60/792245860.db2.gz	NAAXINNPAPWHLQ-QGZVFWFLSA-N	1	0	372.469	1.565	20	30		FDEDRO
C[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)[C@@H](C[NH3+])C1	ZINC000415446571	792283111	/nfs/dbraw/zinc/28/31/11/792283111.db2.gz	HJPVDWPUMDPYGL-GXTWGEPZSA-N	1	0	356.405	2.474	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH2+]C)cc1	ZINC000415503071	792396997	/nfs/dbraw/zinc/39/69/97/792396997.db2.gz	WEAFVWXKAZFNFS-OAHLLOKOSA-N	1	0	359.430	1.143	20	30		FDEDRO
Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H]3C(=O)NC[C@H]3C2)ccc1Cl	ZINC000377652906	792419035	/nfs/dbraw/zinc/41/90/35/792419035.db2.gz	LNJCCVODTIGEAZ-HOCLYGCPSA-N	1	0	374.872	1.963	20	30		FDEDRO
CC(C)(C#N)c1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1	ZINC000377723045	792630786	/nfs/dbraw/zinc/63/07/86/792630786.db2.gz	GQYQZQVFQKLYTP-SJORKVTESA-N	1	0	370.453	1.406	20	30		FDEDRO
CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1	ZINC000415657486	792756347	/nfs/dbraw/zinc/75/63/47/792756347.db2.gz	JXZAVHDPRLCYMI-GFCCVEGCSA-N	1	0	368.441	1.414	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)c1	ZINC000415678307	792803113	/nfs/dbraw/zinc/80/31/13/792803113.db2.gz	OHPRJDUYPDLDPA-HNNXBMFYSA-N	1	0	358.442	1.895	20	30		FDEDRO
N#CCc1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1	ZINC000377809706	792828404	/nfs/dbraw/zinc/82/84/04/792828404.db2.gz	RWPRRFKRPGIVTG-JQHSSLGASA-N	1	0	352.438	1.634	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1	ZINC000415725817	792895658	/nfs/dbraw/zinc/89/56/58/792895658.db2.gz	OJGLPVWVVACOTE-HXUWFJFHSA-N	1	0	370.453	1.143	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C)oc4C)[C@@H]3C2)C1=O	ZINC001075539534	792901645	/nfs/dbraw/zinc/90/16/45/792901645.db2.gz	NBEVITSUVWPDBT-CGTJXYLNSA-N	1	0	357.454	1.830	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1	ZINC000415787522	792993526	/nfs/dbraw/zinc/99/35/26/792993526.db2.gz	QDCONUYHZICEOC-WMLDXEAASA-N	1	0	356.426	1.518	20	30		FDEDRO
CC1(C)CN(C(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)CC[NH2+]1	ZINC000415824351	793071640	/nfs/dbraw/zinc/07/16/40/793071640.db2.gz	VBYRAXJGEPGHOM-UHFFFAOYSA-N	1	0	369.450	1.831	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1	ZINC000415823771	793082409	/nfs/dbraw/zinc/08/24/09/793082409.db2.gz	UDEYDBNYVRSZSR-HZPDHXFCSA-N	1	0	371.485	1.901	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc1C#N	ZINC000415837864	793108109	/nfs/dbraw/zinc/10/81/09/793108109.db2.gz	CVYFCGLRBNOYJP-ZFWWWQNUSA-N	1	0	358.442	1.727	20	30		FDEDRO
C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCN1CC[NH2+]CC1	ZINC000647677721	793130735	/nfs/dbraw/zinc/13/07/35/793130735.db2.gz	XIJWHGVNZCVINH-UHFFFAOYSA-N	1	0	355.442	1.072	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)cc1	ZINC000415850931	793168362	/nfs/dbraw/zinc/16/83/62/793168362.db2.gz	YBCZFUKYODKZAO-MRXNPFEDSA-N	1	0	358.442	1.175	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@H]2COC(=O)C2)C1	ZINC001087425426	806220720	/nfs/dbraw/zinc/22/07/20/806220720.db2.gz	VLHMZWWSVNBAPJ-BHIYHBOVSA-N	1	0	354.450	1.937	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1	ZINC000415856063	793189308	/nfs/dbraw/zinc/18/93/08/793189308.db2.gz	ZHECBEWLCAIIBW-HIFRSBDPSA-N	1	0	358.442	1.727	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H](F)C2CN(C(=O)OC(C)(C)C)C2)CC1	ZINC000377962864	793246169	/nfs/dbraw/zinc/24/61/69/793246169.db2.gz	RJRXECXUAOMPQS-INIZCTEOSA-N	1	0	367.465	1.795	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CNc3ccccc3C2)CC1	ZINC000652692312	793270103	/nfs/dbraw/zinc/27/01/03/793270103.db2.gz	PZGOBZHSVIQHBT-KRWDZBQOSA-N	1	0	356.470	1.296	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1	ZINC000415880972	793279794	/nfs/dbraw/zinc/27/97/94/793279794.db2.gz	SRBHZOGBZBFDOC-SJLPKXTDSA-N	1	0	370.453	1.550	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](c3ccccc3F)[C@H](NC(C)=O)C2)CC1	ZINC001026119263	793393586	/nfs/dbraw/zinc/39/35/86/793393586.db2.gz	PKOFNKJPDBXLNP-AZUAARDMSA-N	1	0	371.456	1.601	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2F)[C@H](NC(C)=O)C1	ZINC001026119353	793394227	/nfs/dbraw/zinc/39/42/27/793394227.db2.gz	UTUDZAKZYYVXAK-UHOSZYNNSA-N	1	0	357.429	1.354	20	30		FDEDRO
C=CCC[C@H](CO)NC(=O)Nc1ccccc1OCCN1CC[NH2+]CC1	ZINC000416028849	793511685	/nfs/dbraw/zinc/51/16/85/793511685.db2.gz	MUEXFDFBSQHYJW-MRXNPFEDSA-N	1	0	362.474	1.419	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCOCCCC)C2)nn1	ZINC001104769433	793555994	/nfs/dbraw/zinc/55/59/94/793555994.db2.gz	VIAZEADBOTUSBD-IAGOWNOFSA-N	1	0	363.506	1.969	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnc(C)[nH]2)C1	ZINC001104783951	793650487	/nfs/dbraw/zinc/65/04/87/793650487.db2.gz	AWOVJZVVNDOKRN-KBEGMRNHSA-N	1	0	361.490	1.669	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cnn3ccccc23)C[C@H]1C	ZINC001104807062	793785830	/nfs/dbraw/zinc/78/58/30/793785830.db2.gz	YANYDDPKPGYDKH-HZPDHXFCSA-N	1	0	369.469	1.324	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2COCCN2C)C1	ZINC001087425651	806274236	/nfs/dbraw/zinc/27/42/36/806274236.db2.gz	KHNYCYMJEIBMBF-VAMGGRTRSA-N	1	0	357.498	1.867	20	30		FDEDRO
N#CCSCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC[C@H]2CCOC2)C1	ZINC001112053149	793879573	/nfs/dbraw/zinc/87/95/73/793879573.db2.gz	VKBSAOOLHXVMGP-YNEHKIRRSA-N	1	0	365.421	1.649	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cccc3nc[nH]c32)C[C@H]1C	ZINC001104825041	793931675	/nfs/dbraw/zinc/93/16/75/793931675.db2.gz	VNYKXZIDMRFSDW-HUUCEWRRSA-N	1	0	369.469	1.553	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CCn2cnccc2=O)C[C@H]1C	ZINC001104852496	794077118	/nfs/dbraw/zinc/07/71/18/794077118.db2.gz	RGFQGVHWMQDSOV-UKRRQHHQSA-N	1	0	352.866	1.460	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2coc(CC3CC3)n2)C[C@H]1C	ZINC001104853711	794080865	/nfs/dbraw/zinc/08/08/65/794080865.db2.gz	IMRUNRNDHKPJKE-NVXWUHKLSA-N	1	0	359.470	1.965	20	30		FDEDRO
Cc1cc(NCC[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)n2ncnc2n1	ZINC000378456599	794172521	/nfs/dbraw/zinc/17/25/21/794172521.db2.gz	PALLVIQQPOSFPY-JJXSEGSLSA-N	1	0	355.446	1.674	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)c2cn(C3CCOCC3)nn2)C[C@H]1C	ZINC001104880232	794191275	/nfs/dbraw/zinc/19/12/75/794191275.db2.gz	WZEIOHQXIZXPIE-HZPDHXFCSA-N	1	0	361.490	1.894	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C	ZINC001104879447	794194913	/nfs/dbraw/zinc/19/49/13/794194913.db2.gz	KBFZALIAUZBGOW-BRWVUGGUSA-N	1	0	356.532	1.852	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)c2cn([C@@H]3CCOC3)nn2)C[C@H]1C	ZINC001104882481	794196668	/nfs/dbraw/zinc/19/66/68/794196668.db2.gz	AQNLRSDJOFQUAK-BRWVUGGUSA-N	1	0	361.490	1.894	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)CCc2nc3cc[nH]cc-3n2)C[C@H]1C	ZINC001104881537	794200775	/nfs/dbraw/zinc/20/07/75/794200775.db2.gz	GBQZNIJNKSYKOW-HZPDHXFCSA-N	1	0	353.470	1.988	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1	ZINC001104891602	794238118	/nfs/dbraw/zinc/23/81/18/794238118.db2.gz	LMDOBWWGZJASLT-RHSMWYFYSA-N	1	0	352.442	1.493	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1CC[NH2+]Cc1ccccc1C#N	ZINC001104891889	794251022	/nfs/dbraw/zinc/25/10/22/794251022.db2.gz	ZIHKBXGNDMLCNY-RHSMWYFYSA-N	1	0	352.442	1.493	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(N3CCCC3)nn2)C[C@H]1C	ZINC001104894573	794258361	/nfs/dbraw/zinc/25/83/61/794258361.db2.gz	FQPKJMXJFPYCQR-IAGOWNOFSA-N	1	0	355.486	1.788	20	30		FDEDRO
Cc1cc(NC(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)nn1CCC#N	ZINC000378520975	794260132	/nfs/dbraw/zinc/26/01/32/794260132.db2.gz	OHVGNRPQHIBUGG-HZPDHXFCSA-N	1	0	360.462	1.728	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)C[C@H]1C	ZINC001104905467	794327339	/nfs/dbraw/zinc/32/73/39/794327339.db2.gz	JJKMDOLHKATECN-MRVWCRGKSA-N	1	0	358.914	1.896	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NCCC)C2)nc1	ZINC001104924127	794420860	/nfs/dbraw/zinc/42/08/60/794420860.db2.gz	HFLJYAACQHVFEP-SOLBZPMBSA-N	1	0	370.497	1.665	20	30		FDEDRO
CC[C@H]1CC[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)CC1	ZINC001104932204	794448078	/nfs/dbraw/zinc/44/80/78/794448078.db2.gz	INNSDYPFZZVNQJ-BRSBDYLESA-N	1	0	362.518	1.917	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC(C)C)NC(C)=O)C[C@H]1C	ZINC001104930943	794457941	/nfs/dbraw/zinc/45/79/41/794457941.db2.gz	HBMXVSWOLJHDQD-BHIYHBOVSA-N	1	0	365.518	1.261	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC(C)C)NC(C)=O)C[C@H]1C	ZINC001104931306	794459711	/nfs/dbraw/zinc/45/97/11/794459711.db2.gz	QEGIUNUPRDDNMS-BHIYHBOVSA-N	1	0	367.534	1.814	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccccc2OC)C[C@H]1C	ZINC001104940746	794496995	/nfs/dbraw/zinc/49/69/95/794496995.db2.gz	INIHEARJKGKMSR-HZPDHXFCSA-N	1	0	359.470	1.685	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](CC)C(N)=O)C1	ZINC001104952311	794536554	/nfs/dbraw/zinc/53/65/54/794536554.db2.gz	QLGWOANAYBKMLM-LZQZEXGQSA-N	1	0	355.482	1.549	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]cnc2C)C[C@H]1C	ZINC001104954998	794554526	/nfs/dbraw/zinc/55/45/26/794554526.db2.gz	DBYZKAZKJKMCSS-VNQPRFMTSA-N	1	0	361.490	1.026	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC(=O)N2C)C[C@H]1C	ZINC001104964422	794600560	/nfs/dbraw/zinc/60/05/60/794600560.db2.gz	JFKGKWWFVXWDLS-ZACQAIPSSA-N	1	0	351.491	1.274	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3CO2)C[C@H]1C	ZINC001104966960	794608108	/nfs/dbraw/zinc/60/81/08/794608108.db2.gz	KYPGZAWRKLOBJD-QFUCXCTJSA-N	1	0	370.493	1.852	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)Cn2ccc(C(F)(F)F)n2)C[C@H]1C	ZINC001104987520	794745042	/nfs/dbraw/zinc/74/50/42/794745042.db2.gz	URLFIKPFDWLJOY-ZIAGYGMSSA-N	1	0	356.392	1.999	20	30		FDEDRO
CC(C)C[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC001105001385	794841157	/nfs/dbraw/zinc/84/11/57/794841157.db2.gz	HJOJVOCJSWFGDR-IIAWOOMASA-N	1	0	360.462	1.010	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(Oc3cnccn3)CC2)cc1	ZINC000365850812	794844293	/nfs/dbraw/zinc/84/42/93/794844293.db2.gz	UHEFEARVURDESI-MRXNPFEDSA-N	1	0	354.410	1.631	20	30		FDEDRO
CC(C)n1cccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001105020202	794955508	/nfs/dbraw/zinc/95/55/08/794955508.db2.gz	YWBVVMDAPSLPEJ-HZPDHXFCSA-N	1	0	359.474	1.397	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2c[nH]c3ncccc23)C[C@H]1C	ZINC001105026980	794971521	/nfs/dbraw/zinc/97/15/21/794971521.db2.gz	DWLOKHXHIOLQFG-HUUCEWRRSA-N	1	0	367.453	1.000	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3c[nH]nc3C2)C[C@H]1C	ZINC001105037147	795018522	/nfs/dbraw/zinc/01/85/22/795018522.db2.gz	LFNOUEZHUXIKAA-SOLBZPMBSA-N	1	0	360.502	1.791	20	30		FDEDRO
CCOCCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C1	ZINC001105053784	795073103	/nfs/dbraw/zinc/07/31/03/795073103.db2.gz	AJDFHXKDPDZRPY-KZNAEPCWSA-N	1	0	354.491	1.152	20	30		FDEDRO
Cc1nsc(N2CCN(c3cc(-n4cccn4)nc(N)[nH+]3)CC2)c1C#N	ZINC000290752183	795099077	/nfs/dbraw/zinc/09/90/77/795099077.db2.gz	SOWXROSOMDUJMJ-UHFFFAOYSA-N	1	0	367.442	1.208	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C)C[C@H]1C	ZINC001105067602	795147851	/nfs/dbraw/zinc/14/78/51/795147851.db2.gz	KTOJDUALKDVBSY-GDBMZVCRSA-N	1	0	354.454	1.990	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CC3CCC2CC3)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001105075921	795163334	/nfs/dbraw/zinc/16/33/34/795163334.db2.gz	ZFVNSELGSAPCCK-QEFFHFBBSA-N	1	0	360.502	1.527	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccoc2C(C)C)C[C@H]1C	ZINC001105084228	795188928	/nfs/dbraw/zinc/18/89/28/795188928.db2.gz	OGONCVWESMZNCN-HZPDHXFCSA-N	1	0	359.470	1.840	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC2CC2)C1	ZINC001105085394	795195568	/nfs/dbraw/zinc/19/55/68/795195568.db2.gz	NZKIPONNNXECHH-NVXWUHKLSA-N	1	0	351.491	1.180	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](O)COCC(C)C)C1	ZINC001105090193	795233615	/nfs/dbraw/zinc/23/36/15/795233615.db2.gz	MMARODDFIYOLCL-GUDVDZBRSA-N	1	0	370.534	1.687	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCN2CCCC2=O)C1	ZINC001105090658	795236476	/nfs/dbraw/zinc/23/64/76/795236476.db2.gz	FDCJHEMAWCRVJR-FGTMMUONSA-N	1	0	365.518	1.664	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCC[NH2+]C3CC3)C2=O)cc1	ZINC000418073406	795508802	/nfs/dbraw/zinc/50/88/02/795508802.db2.gz	CRVVTYVCSGDRQP-QGZVFWFLSA-N	1	0	355.442	1.100	20	30		FDEDRO
C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC001026558805	795552116	/nfs/dbraw/zinc/55/21/16/795552116.db2.gz	YCBOFABKDMCBEW-CVSAEHQPSA-N	1	0	357.882	1.392	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cnnc(C)c2)C[C@H]1C(F)(F)F	ZINC001112089727	795573176	/nfs/dbraw/zinc/57/31/76/795573176.db2.gz	VCNFQQKMCWUENH-ZIAGYGMSSA-N	1	0	356.348	1.027	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CCC([NH2+]Cc2nnnn2C)CC1	ZINC001026574109	795578068	/nfs/dbraw/zinc/57/80/68/795578068.db2.gz	HXYUOSKTAGKQPJ-NDTCATRNSA-N	1	0	362.478	1.098	20	30		FDEDRO
N#C[C@H]1CN(C(=O)NCCC[NH2+]C2CC2)C[C@@]12C(=O)Nc1ccccc12	ZINC000418293614	795708191	/nfs/dbraw/zinc/70/81/91/795708191.db2.gz	BNWWJIYEQNNNIG-ORAYPTAESA-N	1	0	353.426	1.184	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@H]1c1ccccc1	ZINC001211655681	795756481	/nfs/dbraw/zinc/75/64/81/795756481.db2.gz	TVLOJABVFUTOMO-MFKWGIFDSA-N	1	0	365.477	1.366	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)nn1	ZINC001105285657	795807827	/nfs/dbraw/zinc/80/78/27/795807827.db2.gz	SVGGXXDUHRWSHK-CCNMWVGKSA-N	1	0	371.485	1.529	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)N[C@H](C[NH3+])C3CCCCC3)CC2)c1	ZINC000418372267	795836487	/nfs/dbraw/zinc/83/64/87/795836487.db2.gz	YMSLEIPTBVCKFM-QGZVFWFLSA-N	1	0	356.474	1.692	20	30		FDEDRO
C[NH2+]C[C@H](C)CNC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000418381708	795845597	/nfs/dbraw/zinc/84/55/97/795845597.db2.gz	IEYSMRLVXCNOEI-HNNXBMFYSA-N	1	0	366.469	1.794	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])CC2)cc1	ZINC000418418078	795895044	/nfs/dbraw/zinc/89/50/44/795895044.db2.gz	VWNBPICVESVRBG-MOPGFXCFSA-N	1	0	355.486	1.903	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ncccn2)C[C@H]1c1ccccc1	ZINC001211693026	806464220	/nfs/dbraw/zinc/46/42/20/806464220.db2.gz	YHWDSJBHFMYLRQ-ZWKOTPCHSA-N	1	0	352.438	1.877	20	30		FDEDRO
CCC[NH2+]CCNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000418474954	795971580	/nfs/dbraw/zinc/97/15/80/795971580.db2.gz	PGTKCDOJPHZUJZ-UHFFFAOYSA-N	1	0	369.473	1.558	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CC[C@H](C)F)nn2)C1	ZINC001105328436	796099401	/nfs/dbraw/zinc/09/94/01/796099401.db2.gz	DXBLMCKRUYQTRW-MAZHCROVSA-N	1	0	351.426	1.090	20	30		FDEDRO
N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)NCC1([NH3+])CCC1	ZINC000418531430	796104318	/nfs/dbraw/zinc/10/43/18/796104318.db2.gz	WZWZNPWHUVQPDX-UHFFFAOYSA-N	1	0	367.457	1.439	20	30		FDEDRO
COCC[N@H+](C)CCCC1CCN(C(=O)Cc2noc(C)c2C#N)CC1	ZINC000500418103	796137202	/nfs/dbraw/zinc/13/72/02/796137202.db2.gz	DFIUEYSFMQEMFG-UHFFFAOYSA-N	1	0	362.474	1.994	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN1Cc1ccc(C(=O)NC)cc1	ZINC001038808101	806582898	/nfs/dbraw/zinc/58/28/98/806582898.db2.gz	ORYCOXVJQSXJQD-FHWLQOOXSA-N	1	0	371.481	1.718	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCn3c(C)ncc3C1)C2	ZINC001112530488	806587580	/nfs/dbraw/zinc/58/75/80/806587580.db2.gz	WZXALAOKXVRIIP-WFXMLNOXSA-N	1	0	354.498	1.996	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCC[NH2+]1	ZINC000662440092	806616507	/nfs/dbraw/zinc/61/65/07/806616507.db2.gz	WYNVDYYKAGRRGN-SFHVURJKSA-N	1	0	363.483	1.218	20	30		FDEDRO
C=CC[C@]1(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)CCC[NH2+]1	ZINC000662460535	806685112	/nfs/dbraw/zinc/68/51/12/806685112.db2.gz	VXLUNBHEDJXQLF-QGZVFWFLSA-N	1	0	351.472	1.251	20	30		FDEDRO
N#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1	ZINC001087428165	806741309	/nfs/dbraw/zinc/74/13/09/806741309.db2.gz	PXVJWQZXDHOIJV-HSALFYBXSA-N	1	0	352.482	1.826	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)CC1(C)C	ZINC000974588415	799851949	/nfs/dbraw/zinc/85/19/49/799851949.db2.gz	PWSBISAJGHNADI-FGTMMUONSA-N	1	0	360.502	1.770	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)C[N@H+]4CCC[C@@H]4C)C[C@H]32)cc1	ZINC000974705002	800129217	/nfs/dbraw/zinc/12/92/17/800129217.db2.gz	HCPZXTYVTVMZAY-PWIZWCRZSA-N	1	0	365.477	1.825	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cc(C#N)ccc2F)C1	ZINC001026894977	800130968	/nfs/dbraw/zinc/13/09/68/800130968.db2.gz	SYQNBZBCFGKEKD-YEWWUXTCSA-N	1	0	361.417	1.439	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3CCN(C(=O)C[N@H+]4CC[C@@H](C)C4)C[C@H]32)c1	ZINC000975073992	800865883	/nfs/dbraw/zinc/86/58/83/800865883.db2.gz	QJQJKCFUISUCSJ-SZVBFZGTSA-N	1	0	366.465	1.078	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nc(C3CC3)no2)C1	ZINC001027117314	801015846	/nfs/dbraw/zinc/01/58/46/801015846.db2.gz	VJPZXMRGOTXCOB-QRTARXTBSA-N	1	0	360.458	1.866	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1	ZINC000975556806	801499443	/nfs/dbraw/zinc/49/94/43/801499443.db2.gz	VAPSEATUJXTBMK-NXHRZFHOSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1	ZINC000660853146	801787019	/nfs/dbraw/zinc/78/70/19/801787019.db2.gz	QZOVEPLUFNNGNS-IRXDYDNUSA-N	1	0	350.507	1.927	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1	ZINC000660853144	801787511	/nfs/dbraw/zinc/78/75/11/801787511.db2.gz	QZOVEPLUFNNGNS-DLBZAZTESA-N	1	0	350.507	1.927	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)/C(C)=C/C)C[C@@H]32)CC1	ZINC000975647548	801788085	/nfs/dbraw/zinc/78/80/85/801788085.db2.gz	CIRNEVYDSYBZJK-YJUPEYIVSA-N	1	0	357.498	1.747	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)CCC[NH2+]1	ZINC000662674721	806950054	/nfs/dbraw/zinc/95/00/54/806950054.db2.gz	FVYWFVMGEXURKB-NRFANRHFSA-N	1	0	370.497	1.389	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@@H]3CCN(C(=O)C[NH+]4CCCC4)C[C@@H]32)c1	ZINC000975716854	802111830	/nfs/dbraw/zinc/11/18/30/802111830.db2.gz	UXIHPHKTIJKCEP-RDJZCZTQSA-N	1	0	355.442	1.045	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)[C@H](F)CC)[C@H]3C2)CC1	ZINC000975754044	802206969	/nfs/dbraw/zinc/20/69/69/802206969.db2.gz	CLFVXKGTZNVWTB-JQHSSLGASA-N	1	0	363.477	1.529	20	30		FDEDRO
C=CCCOCCNC(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1	ZINC000660953756	802231250	/nfs/dbraw/zinc/23/12/50/802231250.db2.gz	CDICVQYSPICECA-LJQANCHMSA-N	1	0	360.502	1.695	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)[C@H]4CC4(C)C)[C@H]3C2)CC1	ZINC000975754984	802269283	/nfs/dbraw/zinc/26/92/83/802269283.db2.gz	SUXREVCZUKUXAM-UHOSZYNNSA-N	1	0	371.525	1.827	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)CCC[NH2+]1	ZINC000662702668	806977217	/nfs/dbraw/zinc/97/72/17/806977217.db2.gz	BYGUXUHKYNZFBR-NRFANRHFSA-N	1	0	370.497	1.540	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1	ZINC000661100088	802687865	/nfs/dbraw/zinc/68/78/65/802687865.db2.gz	ZIZPCHAVFUYBAH-SFHVURJKSA-N	1	0	359.470	1.380	20	30		FDEDRO
C=CC[C@@H]1CC[C@@H]([NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)C1	ZINC000651720158	802794757	/nfs/dbraw/zinc/79/47/57/802794757.db2.gz	RTTXTTUSLYHRPI-GDBMZVCRSA-N	1	0	352.504	1.908	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1	ZINC000661229718	803047916	/nfs/dbraw/zinc/04/79/16/803047916.db2.gz	LWWRCDKCLAPPLV-KRWDZBQOSA-N	1	0	350.507	1.976	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC000976469927	803402780	/nfs/dbraw/zinc/40/27/80/803402780.db2.gz	SJLJCPOCQUQKSC-BVIKNXMNSA-N	1	0	371.485	1.774	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@](CO)(OC)C2)c(OC)c1	ZINC000661398954	803477188	/nfs/dbraw/zinc/47/71/88/803477188.db2.gz	XDPMCXUCPSKFPG-YLJYHZDGSA-N	1	0	365.470	1.637	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)C1	ZINC000976538741	803490021	/nfs/dbraw/zinc/49/00/21/803490021.db2.gz	HTZCGGDZBBLAQH-FVQBIDKESA-N	1	0	357.458	1.385	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1C	ZINC000976793294	803921330	/nfs/dbraw/zinc/92/13/30/803921330.db2.gz	MZCAQSLQEXWCCA-SOMFZHDCSA-N	1	0	361.486	1.025	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2	ZINC000423185872	814994621	/nfs/dbraw/zinc/99/46/21/814994621.db2.gz	KARNGSFRQBHFSS-UHFFFAOYSA-N	1	0	366.465	1.675	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1	ZINC000423205564	815000084	/nfs/dbraw/zinc/00/00/84/815000084.db2.gz	CAJGIEUFKAMATD-KBPBESRZSA-N	1	0	360.414	1.318	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C[C@H]2CC[N@@H+](C)C2)nc1	ZINC000976986661	804238432	/nfs/dbraw/zinc/23/84/32/804238432.db2.gz	QUFAIXSIBTXCOM-KZNAEPCWSA-N	1	0	368.481	1.562	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1	ZINC000423214395	815004328	/nfs/dbraw/zinc/00/43/28/815004328.db2.gz	MHAZKMVCVDHTQK-WBVHZDCISA-N	1	0	372.425	1.320	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CCC[C@H](C[NH2+]C)C1	ZINC000423216112	815005380	/nfs/dbraw/zinc/00/53/80/815005380.db2.gz	PMKFHPOYKAEQLK-MRXNPFEDSA-N	1	0	374.441	1.567	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1	ZINC000423217948	815006451	/nfs/dbraw/zinc/00/64/51/815006451.db2.gz	SWKZFUIIJZBWLC-GDBMZVCRSA-N	1	0	374.441	1.553	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1	ZINC000423219044	815007449	/nfs/dbraw/zinc/00/74/49/815007449.db2.gz	VQUWKVMOFYFOMF-HOTGVXAUSA-N	1	0	372.425	1.177	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1	ZINC000423245009	815017607	/nfs/dbraw/zinc/01/76/07/815017607.db2.gz	IJMUYGIVFNIHES-HNNXBMFYSA-N	1	0	372.469	1.119	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2CC(C)C)CC1	ZINC000977220468	804573967	/nfs/dbraw/zinc/57/39/67/804573967.db2.gz	RDOQVRGWSRVYEO-UEDWAMCQSA-N	1	0	371.525	1.587	20	30		FDEDRO
C=CC[C@@]1(C(=O)NC[C@@H]2CN(C)CCN2Cc2ccccc2)CCC[NH2+]1	ZINC000662941541	804590393	/nfs/dbraw/zinc/59/03/93/804590393.db2.gz	XJMIOQYZIIZHEI-CTNGQTDRSA-N	1	0	356.514	1.617	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)C1	ZINC000662962843	804721986	/nfs/dbraw/zinc/72/19/86/804721986.db2.gz	NJVKXOOHNOMVBP-NJAFHUGGSA-N	1	0	363.502	1.546	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1	ZINC000504053521	815045015	/nfs/dbraw/zinc/04/50/15/815045015.db2.gz	KITYNRGLJVFYKW-QGZVFWFLSA-N	1	0	372.513	1.743	20	30		FDEDRO
C[N@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001027579212	805107895	/nfs/dbraw/zinc/10/78/95/805107895.db2.gz	CWDWRZBBFBNXHF-XHSDSOJGSA-N	1	0	358.417	1.242	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccn(C)c(=O)c2)C1	ZINC001027584782	805158032	/nfs/dbraw/zinc/15/80/32/805158032.db2.gz	SLJZURHECIOAGI-KURKYZTESA-N	1	0	359.470	1.399	20	30		FDEDRO
CC[C@@H]1C[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC#N)C1	ZINC001211678497	805352437	/nfs/dbraw/zinc/35/24/37/805352437.db2.gz	ZNVGIKUIOXZZOD-NRSFXHEJSA-N	1	0	354.454	1.256	20	30		FDEDRO
C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NCC(=O)NCC#N	ZINC000511921770	805393400	/nfs/dbraw/zinc/39/34/00/805393400.db2.gz	WYIUZBYSEJAPQC-GJZGRUSLSA-N	1	0	357.458	1.082	20	30		FDEDRO
N#Cc1ccccc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H]2C1	ZINC000978499042	805538102	/nfs/dbraw/zinc/53/81/02/805538102.db2.gz	MXIWWOQAIHKKJL-HPMTWDQNSA-N	1	0	363.461	1.776	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1	ZINC001087430694	807135492	/nfs/dbraw/zinc/13/54/92/807135492.db2.gz	CQHUJRKHGHHEPA-VBSBHUPXSA-N	1	0	357.498	1.866	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)C1	ZINC001087431014	807144022	/nfs/dbraw/zinc/14/40/22/807144022.db2.gz	WGYNPAMEJMXHTG-VAMGGRTRSA-N	1	0	367.493	1.852	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1cncn1C)C2	ZINC001112532062	807207818	/nfs/dbraw/zinc/20/78/18/807207818.db2.gz	FYRSDILFORTQAD-OOSNJVJTSA-N	1	0	370.497	1.392	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1	ZINC000423534068	815106141	/nfs/dbraw/zinc/10/61/41/815106141.db2.gz	ZKKQHUZTHGYSTG-LVCYWYKZSA-N	1	0	366.465	1.497	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1	ZINC000423559533	815116372	/nfs/dbraw/zinc/11/63/72/815116372.db2.gz	NVPYIBSUZIYRNF-JCGIZDLHSA-N	1	0	370.453	1.044	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1	ZINC000981051782	807494028	/nfs/dbraw/zinc/49/40/28/807494028.db2.gz	NZYJTZAHGLNYNW-DBVUQKKJSA-N	1	0	367.493	1.706	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@H]1c1ccccc1	ZINC001211697198	807596037	/nfs/dbraw/zinc/59/60/37/807596037.db2.gz	WPHFSYGDEBRYAV-FUHWJXTLSA-N	1	0	350.422	1.335	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1	ZINC000981194710	807700819	/nfs/dbraw/zinc/70/08/19/807700819.db2.gz	IGIFYCYSXMZKIQ-LESCRADOSA-N	1	0	371.485	1.774	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)c[nH]1	ZINC000981412093	808026572	/nfs/dbraw/zinc/02/65/72/808026572.db2.gz	GNHGEHHFYSBWHU-XCRHUMRWSA-N	1	0	369.469	1.243	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3nc(C)c[nH]3)C2)CC1	ZINC000981544008	808113831	/nfs/dbraw/zinc/11/38/31/808113831.db2.gz	ABPVIVSXNPSOQW-DOTOQJQBSA-N	1	0	371.485	1.078	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)C3=CCCC3)C2)CC1	ZINC000981544968	808116252	/nfs/dbraw/zinc/11/62/52/808116252.db2.gz	ZCUSSVFAUUBLOJ-QFBILLFUSA-N	1	0	357.498	1.843	20	30		FDEDRO
C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCO[C@H]3c3nccn3C)C2)C1	ZINC000981820504	808555478	/nfs/dbraw/zinc/55/54/78/808555478.db2.gz	BBGULKPWMLVRQT-QZTJIDSGSA-N	1	0	370.497	1.836	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1	ZINC000279270111	808680014	/nfs/dbraw/zinc/68/00/14/808680014.db2.gz	RPGAWOVEKXRMCM-CALCHBBNSA-N	1	0	361.490	1.547	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1cc2n(n1)CCCC2	ZINC001028146761	808689324	/nfs/dbraw/zinc/68/93/24/808689324.db2.gz	LPVSKAIFWLQBMZ-QRVBRYPASA-N	1	0	358.486	1.891	20	30		FDEDRO
C#C[C@@H]([NH2+]C1CCN(CCNC(=O)OC(C)(C)C)CC1)[C@@H]1CCCO1	ZINC000893676864	808838722	/nfs/dbraw/zinc/83/87/22/808838722.db2.gz	PCNOSBBQSZJHGQ-SJORKVTESA-N	1	0	351.491	1.746	20	30		FDEDRO
C#C[C@@H]([NH2+]C1CCN(CCNC(=O)OC(C)(C)C)CC1)[C@H]1CCCO1	ZINC000893676862	808839011	/nfs/dbraw/zinc/83/90/11/808839011.db2.gz	PCNOSBBQSZJHGQ-IAGOWNOFSA-N	1	0	351.491	1.746	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@@H](C)O)CC[C@@H]2c2ccccc2)nn1	ZINC001087439376	809079693	/nfs/dbraw/zinc/07/96/93/809079693.db2.gz	UMAYOJGGEOUYCM-KBAYOESNSA-N	1	0	369.469	1.433	20	30		FDEDRO
COCC1(CNC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)CC[NH2+]CC1	ZINC000418639042	809095544	/nfs/dbraw/zinc/09/55/44/809095544.db2.gz	LWMHEWUPEWVLRO-SFHVURJKSA-N	1	0	372.469	1.657	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@]1(COC)CCC[NH2+]1	ZINC000418640601	809096652	/nfs/dbraw/zinc/09/66/52/809096652.db2.gz	QXBBPKQNHABZDR-LJQANCHMSA-N	1	0	360.458	1.485	20	30		FDEDRO
C[C@H]([NH3+])[C@H](C)NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000418694556	809138767	/nfs/dbraw/zinc/13/87/67/809138767.db2.gz	IBLGKULQQVKMHC-STQMWFEESA-N	1	0	355.446	1.294	20	30		FDEDRO
N#C[C@H]1CN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CCN1Cc1ccccc1	ZINC000418750345	809183715	/nfs/dbraw/zinc/18/37/15/809183715.db2.gz	NYOVUDFRWBZLEK-OALUTQOASA-N	1	0	355.486	1.938	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CCN1Cc1ccccc1	ZINC000418745713	809184979	/nfs/dbraw/zinc/18/49/79/809184979.db2.gz	WCVMWCDNHXHVOR-CEXWTWQISA-N	1	0	355.486	1.923	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1	ZINC000418834730	809256120	/nfs/dbraw/zinc/25/61/20/809256120.db2.gz	RVVFVGOYWYCKPX-FJIDUMEYSA-N	1	0	357.454	1.037	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cn2c(C)csc2=O)C[C@H]1c1ccccc1	ZINC001211720540	809262652	/nfs/dbraw/zinc/26/26/52/809262652.db2.gz	KJQVUJBZIPWJMT-ZWKOTPCHSA-N	1	0	369.490	1.826	20	30		FDEDRO
N#CC1CCC(CNC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC1	ZINC000418889751	809298431	/nfs/dbraw/zinc/29/84/31/809298431.db2.gz	IJSTUCTWIJLDPB-TXVKYFBMSA-N	1	0	372.444	1.525	20	30		FDEDRO
C[C@@H]1CCCN(C(=O)C(=O)NCCSCc2ccccc2C#N)[C@@H]1C[NH3+]	ZINC000418920985	809314802	/nfs/dbraw/zinc/31/48/02/809314802.db2.gz	LKRXERYPBNWAPS-RHSMWYFYSA-N	1	0	374.510	1.493	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2ccnc(C)n2)C[C@H]1c1ccccc1	ZINC001211723963	809330464	/nfs/dbraw/zinc/33/04/64/809330464.db2.gz	DGDQRXHXOHOYAQ-AZUAARDMSA-N	1	0	364.449	1.633	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCCN2C(C)=O)C[C@H]1c1ccccc1	ZINC001211723947	809337188	/nfs/dbraw/zinc/33/71/88/809337188.db2.gz	BZPRPVJGMZYGRN-ZCNNSNEGSA-N	1	0	371.481	1.394	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)NC(=O)c2ccco2)C[C@H]1c1ccccc1	ZINC001211724252	809343284	/nfs/dbraw/zinc/34/32/84/809343284.db2.gz	XIRQXVLMUZUUKD-RYQLBKOJSA-N	1	0	365.433	1.615	20	30		FDEDRO
CCCN(CC[NH+]1CCCC1)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000512470255	809441061	/nfs/dbraw/zinc/44/10/61/809441061.db2.gz	WSKDGKTZJNZWEP-LJQANCHMSA-N	1	0	363.550	1.487	20	30		FDEDRO
C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1	ZINC001075697786	815319137	/nfs/dbraw/zinc/31/91/37/815319137.db2.gz	IZEYHNRYKDSGGO-RVKKMQEKSA-N	1	0	369.469	1.434	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H](C)C2CC2)C[C@H]1c1ccccc1	ZINC001211732431	809777873	/nfs/dbraw/zinc/77/78/73/809777873.db2.gz	HGQHRJIYICJRLJ-FFZOFVMBSA-N	1	0	367.493	1.756	20	30		FDEDRO
CN(C)Cc1nc(C2(NC(=O)[C@H]([NH3+])CCCC#N)CCCCCC2)no1	ZINC000424140593	815316565	/nfs/dbraw/zinc/31/65/65/815316565.db2.gz	WIZZPPVMNUOHQS-CQSZACIVSA-N	1	0	362.478	1.818	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)CS(C)(=O)=O)C[C@H]1c1ccccc1	ZINC001211732771	809826346	/nfs/dbraw/zinc/82/63/46/809826346.db2.gz	ZFBPZOAPOHJVHR-RYQLBKOJSA-N	1	0	364.511	1.827	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1	ZINC001087445319	809838140	/nfs/dbraw/zinc/83/81/40/809838140.db2.gz	HFQUTWITRDCJPL-RCCFBDPRSA-N	1	0	369.465	1.590	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)CC1	ZINC000246164295	809977422	/nfs/dbraw/zinc/97/74/22/809977422.db2.gz	OOJFSPVFOYMCBY-NVXWUHKLSA-N	1	0	373.501	1.807	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1	ZINC001087453803	810040077	/nfs/dbraw/zinc/04/00/77/810040077.db2.gz	MKTZLGWOASQABH-CGTJXYLNSA-N	1	0	359.445	1.812	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cnccc4C)[C@@H]3C2)C1=O	ZINC001075642558	810159429	/nfs/dbraw/zinc/15/94/29/810159429.db2.gz	IKAOSYMDHRMZNG-CGTJXYLNSA-N	1	0	354.454	1.323	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)CCC)C[C@H]2OCC)CC1	ZINC000982556652	810332554	/nfs/dbraw/zinc/33/25/54/810332554.db2.gz	VUGZAVARHJHOFG-QZTJIDSGSA-N	1	0	363.502	1.111	20	30		FDEDRO
C#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCN(C(C)=O)C2)C1	ZINC001087460064	810574398	/nfs/dbraw/zinc/57/43/98/810574398.db2.gz	NGNWJRLOXNFMSZ-DFQSSKMNSA-N	1	0	371.456	1.601	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccn(C)c(=O)c2)C1	ZINC001028548561	810615467	/nfs/dbraw/zinc/61/54/67/810615467.db2.gz	CEZBWWYMMDTSLG-KURKYZTESA-N	1	0	359.470	1.305	20	30		FDEDRO
CC#CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ccc(=O)[nH]n2)C1	ZINC001087462014	810767251	/nfs/dbraw/zinc/76/72/51/810767251.db2.gz	MYUHDOZFORPLMJ-SJLPKXTDSA-N	1	0	368.412	1.933	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)nc1	ZINC000728982845	810900901	/nfs/dbraw/zinc/90/09/01/810900901.db2.gz	STHWCQSYTUNOSU-UHFFFAOYSA-N	1	0	368.481	1.517	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1	ZINC001087464100	811195355	/nfs/dbraw/zinc/19/53/55/811195355.db2.gz	SWVRUBZYJPTMEN-BHIYHBOVSA-N	1	0	371.456	1.649	20	30		FDEDRO
C=CCCn1cc(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)nn1	ZINC000424787047	815437740	/nfs/dbraw/zinc/43/77/40/815437740.db2.gz	MLHQMQBECBDKSX-UHFFFAOYSA-N	1	0	361.490	1.819	20	30		FDEDRO
C[NH+]=C(NCc1cccc(N(C)C)n1)N1CCO[C@H](c2cnn(C)c2)C1	ZINC000261815526	811325709	/nfs/dbraw/zinc/32/57/09/811325709.db2.gz	TXKZFKKGZSZDCA-INIZCTEOSA-N	1	0	357.462	1.030	20	30		FDEDRO
C[NH+]=C(NCc1cccc(N(C)C)n1)N[C@H]1CCC[C@H](C(=O)N(C)C)C1	ZINC000261833435	811329343	/nfs/dbraw/zinc/32/93/43/811329343.db2.gz	VOLSBVBZJOWZMW-GJZGRUSLSA-N	1	0	360.506	1.460	20	30		FDEDRO
C[NH+]=C(NCc1cccc(N(C)C)n1)N1CC[C@@H](Oc2ccccn2)C1	ZINC000262008491	811365967	/nfs/dbraw/zinc/36/59/67/811365967.db2.gz	WCTQGGAXWFGUBO-MRXNPFEDSA-N	1	0	354.458	1.771	20	30		FDEDRO
C[C@H]1CCN(C(NCC(=O)N(C)C)=[NH+]C2CCCC2)C[C@@H]1n1ccnc1	ZINC000262254693	811424335	/nfs/dbraw/zinc/42/43/35/811424335.db2.gz	CKZDLFYQYCMPAT-RDJZCZTQSA-N	1	0	360.506	1.742	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@H]1CCN(c2ccccc2)C1)=[NH+]C1CCOCC1	ZINC000262326845	811442365	/nfs/dbraw/zinc/44/23/65/811442365.db2.gz	UECMJXGXOYUTNJ-KRWDZBQOSA-N	1	0	373.501	1.068	20	30		FDEDRO
CC[NH+]=C(NC[C@@](C)(O)c1ccco1)N1CCN(C(=O)c2ccco2)CC1	ZINC000262416380	811463206	/nfs/dbraw/zinc/46/32/06/811463206.db2.gz	QGGMJBKEUBBTCF-LJQANCHMSA-N	1	0	374.441	1.504	20	30		FDEDRO
[NH2+]=C(NCCc1cc2ccccc2o1)N1CCN(c2ncccn2)CC1	ZINC000262522152	811484023	/nfs/dbraw/zinc/48/40/23/811484023.db2.gz	IZYPALQEQZEDDL-UHFFFAOYSA-N	1	0	350.426	1.902	20	30		FDEDRO
C[NH+]=C(NCc1ccc2c(c1)OCO2)NCC1(C(=O)N(C)C)CCCC1	ZINC000262537715	811487786	/nfs/dbraw/zinc/48/77/86/811487786.db2.gz	QNNVDZJPAVEUTJ-UHFFFAOYSA-N	1	0	360.458	1.729	20	30		FDEDRO
C[C@@H]1C[NH+]=C(NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)N1	ZINC000262680362	811531694	/nfs/dbraw/zinc/53/16/94/811531694.db2.gz	VVDNIRKSINWOQP-OAHLLOKOSA-N	1	0	368.460	1.985	20	30		FDEDRO
C[NH+]=C(NCc1cc(N(C)C)nc2ccccc12)N[C@@H]1CCC(=O)N(C)C1	ZINC000262757170	811547044	/nfs/dbraw/zinc/54/70/44/811547044.db2.gz	DTNGHUUXTDAHRK-OAHLLOKOSA-N	1	0	368.485	1.587	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)cc1Br	ZINC000927887890	811664123	/nfs/dbraw/zinc/66/41/23/811664123.db2.gz	DJVJRTSWTVUBRX-JTQLQIEISA-N	1	0	365.231	1.457	20	30		FDEDRO
C[C@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)C(=O)N(CCC#N)c1ccc(F)cc1	ZINC000501143826	812039524	/nfs/dbraw/zinc/03/95/24/812039524.db2.gz	POEMDRVBWMUPEW-KXBFYZLASA-N	1	0	374.460	1.914	20	30		FDEDRO
N#CC1(CNC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)CCC1	ZINC000419628896	812050159	/nfs/dbraw/zinc/05/01/59/812050159.db2.gz	QLIQQEACKFQMTK-ROUUACIJSA-N	1	0	356.470	1.862	20	30		FDEDRO
CC[NH2+]CCNC(=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1	ZINC000419656870	812062161	/nfs/dbraw/zinc/06/21/61/812062161.db2.gz	ZXIUCVGRRHIPOL-UHFFFAOYSA-N	1	0	350.422	1.567	20	30		FDEDRO
N#Cc1ccccc1-c1ccc(CNC(=O)C(=O)N2CCC([NH3+])CC2)cc1	ZINC000419649419	812074428	/nfs/dbraw/zinc/07/44/28/812074428.db2.gz	SVOPPNPXKZQBAX-UHFFFAOYSA-N	1	0	362.433	1.791	20	30		FDEDRO
O=C(NCC#Cc1cccc(F)c1)C(=O)N1CCC([NH2+]CC2CC2)CC1	ZINC000419673667	812085067	/nfs/dbraw/zinc/08/50/67/812085067.db2.gz	IWOZBEDRNQGPIO-UHFFFAOYSA-N	1	0	357.429	1.284	20	30		FDEDRO
N#Cc1cccc(CCNC(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)c1	ZINC000419710837	812101668	/nfs/dbraw/zinc/10/16/68/812101668.db2.gz	REUWAARSOIGECR-OALUTQOASA-N	1	0	368.481	1.598	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)NCCC[NH2+]C3CC3)CC2)cc1	ZINC000419853119	812256335	/nfs/dbraw/zinc/25/63/35/812256335.db2.gz	MRCWNXMCSNWXIV-UHFFFAOYSA-N	1	0	352.438	1.432	20	30		FDEDRO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000434416506	815562992	/nfs/dbraw/zinc/56/29/92/815562992.db2.gz	PEYIMFNCPVVLRL-IEBWSBKVSA-N	1	0	359.470	1.925	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000434414345	815563045	/nfs/dbraw/zinc/56/30/45/815563045.db2.gz	CFZFDQDITVNOTA-KRWDZBQOSA-N	1	0	361.490	1.309	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1	ZINC000420103857	813460128	/nfs/dbraw/zinc/46/01/28/813460128.db2.gz	OSEWFFYHCHHUPF-HXUWFJFHSA-N	1	0	354.454	1.579	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1	ZINC000420141322	813501807	/nfs/dbraw/zinc/50/18/07/813501807.db2.gz	ZFADJSIWWXCRPR-ZFWWWQNUSA-N	1	0	360.414	1.366	20	30		FDEDRO
CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1	ZINC000420151691	813512506	/nfs/dbraw/zinc/51/25/06/813512506.db2.gz	YQLLFSOTDFXLLS-SJORKVTESA-N	1	0	358.442	1.092	20	30		FDEDRO
N#Cc1cncc(N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)n1	ZINC000420584368	813727111	/nfs/dbraw/zinc/72/71/11/813727111.db2.gz	MTAVCKFQBDMUGP-KRWDZBQOSA-N	1	0	363.469	1.782	20	30		FDEDRO
N#Cc1cncc(N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)n1	ZINC000420584375	813727317	/nfs/dbraw/zinc/72/73/17/813727317.db2.gz	MTAVCKFQBDMUGP-QGZVFWFLSA-N	1	0	363.469	1.782	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC000983013759	813968484	/nfs/dbraw/zinc/96/84/84/813968484.db2.gz	DMEYAQCAZPMTIS-ZACQAIPSSA-N	1	0	361.486	1.028	20	30		FDEDRO
CCOC(=O)C1(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC[NH+](C)CC1	ZINC000366792048	813968528	/nfs/dbraw/zinc/96/85/28/813968528.db2.gz	XYUDGHZIJSVMCY-CQSZACIVSA-N	1	0	359.426	1.469	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC1CCC([NH+](C)C)CC1	ZINC000421289120	814072991	/nfs/dbraw/zinc/07/29/91/814072991.db2.gz	OEXHSLHXGXVWLS-UHFFFAOYSA-N	1	0	358.442	1.884	20	30		FDEDRO
C[NH+]1CCC2(CCCN(C(=O)C(=O)Nc3ccc(F)cc3C#N)C2)CC1	ZINC000366945231	814147226	/nfs/dbraw/zinc/14/72/26/814147226.db2.gz	KPBALDGPCIDZOP-UHFFFAOYSA-N	1	0	358.417	1.970	20	30		FDEDRO
C=CCNC(=O)NC(=O)COC(=O)c1ccc(C[NH+]2CCCCC2)cc1	ZINC000016402176	814151158	/nfs/dbraw/zinc/15/11/58/814151158.db2.gz	PJJDMDYLRTXICP-UHFFFAOYSA-N	1	0	359.426	1.841	20	30		FDEDRO
CC(C)([NH2+]CC(=O)NCc1cccc(C#N)c1)C(=O)NCC1CCCC1	ZINC000502756662	814255863	/nfs/dbraw/zinc/25/58/63/814255863.db2.gz	RKWJEWJMCJWTJC-UHFFFAOYSA-N	1	0	356.470	1.849	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CC[NH+]4CCC3CC4)C2=O)cc1	ZINC000367048372	814277924	/nfs/dbraw/zinc/27/79/24/814277924.db2.gz	ULZZYBUCSTYOBZ-GOSISDBHSA-N	1	0	367.453	1.149	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCC[C@H]2C(=O)NC)c(OC)c1	ZINC000502835546	814287144	/nfs/dbraw/zinc/28/71/44/814287144.db2.gz	CEIFCRCWKCFFGP-ZACQAIPSSA-N	1	0	362.470	1.668	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1	ZINC000367089360	814319189	/nfs/dbraw/zinc/31/91/89/814319189.db2.gz	JJKYOJCDGGIERO-MOPGFXCFSA-N	1	0	372.469	1.752	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21	ZINC000272667155	814772325	/nfs/dbraw/zinc/77/23/25/814772325.db2.gz	JPERKEXKSITWGN-IIAWOOMASA-N	1	0	356.426	1.469	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCCO3)C[C@H]1C(F)(F)F	ZINC001112130262	814800439	/nfs/dbraw/zinc/80/04/39/814800439.db2.gz	JYSMWQQKVNTRTQ-DGCLKSJQSA-N	1	0	356.348	1.281	20	30		FDEDRO
CC(C)(CC#N)CNC(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000422289925	814806315	/nfs/dbraw/zinc/80/63/15/814806315.db2.gz	BROYIEWWTJVCJD-QGZVFWFLSA-N	1	0	356.470	1.681	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)cc1	ZINC001028709948	814832259	/nfs/dbraw/zinc/83/22/59/814832259.db2.gz	QGIKWXPVJMQLDY-FUMNGEBKSA-N	1	0	369.465	1.548	20	30		FDEDRO
O=C(NC[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC001028710342	814833914	/nfs/dbraw/zinc/83/39/14/814833914.db2.gz	UMYNYMSNTZBZIP-IVAOSVALSA-N	1	0	368.477	1.528	20	30		FDEDRO
O=C(NC[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC001028710346	814833918	/nfs/dbraw/zinc/83/39/18/814833918.db2.gz	UMYNYMSNTZBZIP-XSDIEEQYSA-N	1	0	368.477	1.528	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4csnc4C)[C@@H]3C2)C1=O	ZINC001075708601	815736249	/nfs/dbraw/zinc/73/62/49/815736249.db2.gz	JAOGYUQSAGSMAY-NUEKZKHPSA-N	1	0	360.483	1.385	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cccc(C(N)=O)c4)C[C@H]32)c[nH]1	ZINC001075709364	815766248	/nfs/dbraw/zinc/76/62/48/815766248.db2.gz	HAFVHHJYDRSJFA-MAUKXSAKSA-N	1	0	363.421	1.332	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]Cc1nnnn1C(C)C	ZINC001167956625	815796013	/nfs/dbraw/zinc/79/60/13/815796013.db2.gz	FNXYYCKIASNWIN-HOCLYGCPSA-N	1	0	350.467	1.221	20	30		FDEDRO
C=CCN(C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@H](C)COC	ZINC000664475410	815940733	/nfs/dbraw/zinc/94/07/33/815940733.db2.gz	QENKOTADBHWZOC-KBAYOESNSA-N	1	0	353.507	1.987	20	30		FDEDRO
N#Cc1cc(N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)ncn1	ZINC000514772617	815970789	/nfs/dbraw/zinc/97/07/89/815970789.db2.gz	LBNQQZANBMFMSY-KRWDZBQOSA-N	1	0	363.469	1.782	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)NCC2([NH3+])CCCCCC2)CC1	ZINC000515145136	816117013	/nfs/dbraw/zinc/11/70/13/816117013.db2.gz	ZKXPHKYYYSOIPO-UHFFFAOYSA-N	1	0	356.474	1.837	20	30		FDEDRO
C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)C1	ZINC000435629331	816122944	/nfs/dbraw/zinc/12/29/44/816122944.db2.gz	UEIFAXZZFWJOPK-CQSZACIVSA-N	1	0	358.417	1.826	20	30		FDEDRO
C=C(C)CN1CCC([NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1	ZINC000515165604	816127235	/nfs/dbraw/zinc/12/72/35/816127235.db2.gz	DLZIPDQJQRFVOA-MRXNPFEDSA-N	1	0	357.454	1.274	20	30		FDEDRO
C=CCn1cc(CNC(=O)NC[C@@H](C(CC)CC)[NH+]2CCOCC2)nn1	ZINC000425404339	816155367	/nfs/dbraw/zinc/15/53/67/816155367.db2.gz	VYUAHSGFYCKKBB-KRWDZBQOSA-N	1	0	364.494	1.400	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCCc2nc(C)no2)C1	ZINC001028861299	816293327	/nfs/dbraw/zinc/29/33/27/816293327.db2.gz	PQNSYQXULUMAJU-RYRKJORJSA-N	1	0	362.474	1.730	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)c(OC)c1	ZINC000425539188	816503151	/nfs/dbraw/zinc/50/31/51/816503151.db2.gz	CMDJBYATSQKERW-CVEARBPZSA-N	1	0	358.442	1.771	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCN1C(=O)c2ccccc2C1=O	ZINC000425549712	816506179	/nfs/dbraw/zinc/50/61/79/816506179.db2.gz	VTHRDRMPOLCLMK-CYBMUJFWSA-N	1	0	372.425	1.005	20	30		FDEDRO
C=CCn1cc(CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)nn1	ZINC000425561381	816529812	/nfs/dbraw/zinc/52/98/12/816529812.db2.gz	AVGKUOZYFKGEMO-UHFFFAOYSA-N	1	0	355.446	1.575	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)CC[NH+](C(C)C)C(C)C)CC1	ZINC000505851387	816601684	/nfs/dbraw/zinc/60/16/84/816601684.db2.gz	MPWBAILSCWNYSH-LJQANCHMSA-N	1	0	365.566	1.729	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](OCC)C2CCOCC2)C[C@H]1C(F)(F)F	ZINC001112138118	816782115	/nfs/dbraw/zinc/78/21/15/816782115.db2.gz	UQMQIKXUTDRRTJ-KFWWJZLASA-N	1	0	364.408	1.983	20	30		FDEDRO
CN1CCN(c2cc[nH+]cc2NC(=O)COc2ccc(C#N)cc2)CC1	ZINC000516625305	816932522	/nfs/dbraw/zinc/93/25/22/816932522.db2.gz	AJCRDVLQVGJQRZ-UHFFFAOYSA-N	1	0	351.410	1.723	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(C(N)=O)o1)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000261941781	816986489	/nfs/dbraw/zinc/98/64/89/816986489.db2.gz	MUFBOTYVMFEBCA-UHFFFAOYSA-N	1	0	363.462	1.175	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCN(C(C)C)C2=O)c(OC)c1	ZINC000516762018	816994655	/nfs/dbraw/zinc/99/46/55/816994655.db2.gz	RJLFHOMGZBQQTH-DLBZAZTESA-N	1	0	362.470	1.762	20	30		FDEDRO
COC(=O)c1ccc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c(C#N)n1	ZINC000516784613	817010596	/nfs/dbraw/zinc/01/05/96/817010596.db2.gz	OWMJTHUVTBFJJY-IYBDPMFKSA-N	1	0	371.485	1.735	20	30		FDEDRO
C=CCn1cc(CNC(=O)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)nn1	ZINC000425796135	817039687	/nfs/dbraw/zinc/03/96/87/817039687.db2.gz	NOVZIKGCMDAUDB-UHFFFAOYSA-N	1	0	356.430	1.089	20	30		FDEDRO
C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)N[C@@H]3CC[C@H](C#N)C3)cn2)CC1	ZINC000425803588	817080621	/nfs/dbraw/zinc/08/06/21/817080621.db2.gz	LLWBFWRCQYOMMQ-UONOGXRCSA-N	1	0	371.441	1.302	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H](OC)C2CCC2)C[C@H]1C(F)(F)F	ZINC001112139895	817228724	/nfs/dbraw/zinc/22/87/24/817228724.db2.gz	PAQQLIJTTYWQFI-RBSFLKMASA-N	1	0	362.392	1.430	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO	ZINC000425860688	817237057	/nfs/dbraw/zinc/23/70/57/817237057.db2.gz	URHAUNUMWHFSAT-MUGJNUQGSA-N	1	0	373.497	1.760	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C	ZINC000425909012	817349079	/nfs/dbraw/zinc/34/90/79/817349079.db2.gz	LRHDWDDAQZSCEW-XIRDDKMYSA-N	1	0	363.433	1.252	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1	ZINC000425908925	817362611	/nfs/dbraw/zinc/36/26/11/817362611.db2.gz	LFYSMDWNZHKBIE-ROUUACIJSA-N	1	0	359.470	1.114	20	30		FDEDRO
CC1CC[NH+](C[C@H](O)CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1	ZINC000506339220	817690672	/nfs/dbraw/zinc/69/06/72/817690672.db2.gz	PFJGCGSNTDKKOW-DNVCBOLYSA-N	1	0	367.490	1.457	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1	ZINC000426141788	817701599	/nfs/dbraw/zinc/70/15/99/817701599.db2.gz	TWOWDBFZUSEGOL-AWEZNQCLSA-N	1	0	368.359	1.175	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1	ZINC001087467053	817726992	/nfs/dbraw/zinc/72/69/92/817726992.db2.gz	BSJWXPCZKWDTQD-OPYAIIAOSA-N	1	0	371.456	1.792	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCOC)C1	ZINC001112143083	817813504	/nfs/dbraw/zinc/81/35/04/817813504.db2.gz	HWAABSORBAFQAV-CHWSQXEVSA-N	1	0	352.397	1.841	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1	ZINC001087467477	817825332	/nfs/dbraw/zinc/82/53/32/817825332.db2.gz	ZGENNCPERPPIOY-IXDOHACOSA-N	1	0	360.433	1.357	20	30		FDEDRO
C[NH+]=C(NCc1cccc(OCC(=O)N(C)C)c1)N1CC[C@]2(CCOC2)C1	ZINC000261968966	817859999	/nfs/dbraw/zinc/85/99/99/817859999.db2.gz	MFYMNDYXAAXRQO-FQEVSTJZSA-N	1	0	374.485	1.341	20	30		FDEDRO
C=CCN1CC[C@@H](N2CC[C@@H](c3ccc(OC)cc3)[C@@H](NC(C)=O)C2)C1=O	ZINC001087472347	818127037	/nfs/dbraw/zinc/12/70/37/818127037.db2.gz	ZZELURJTSDVBSM-SLFFLAALSA-N	1	0	371.481	1.776	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO	ZINC000894500783	818131796	/nfs/dbraw/zinc/13/17/96/818131796.db2.gz	WLUJSYZJYSHBKJ-GBESFXJTSA-N	1	0	354.454	1.786	20	30		FDEDRO
C#CCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2OCCO[C@H]2C)C1	ZINC001087474785	818281626	/nfs/dbraw/zinc/28/16/26/818281626.db2.gz	YNBMZIBPBYZUJZ-KNTRFNDTSA-N	1	0	372.465	1.406	20	30		FDEDRO
C#CCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1	ZINC001087476919	818393587	/nfs/dbraw/zinc/39/35/87/818393587.db2.gz	MAMHKIUMFOZLQM-IHPCNDPISA-N	1	0	355.482	1.554	20	30		FDEDRO
COC(=O)c1ccc(C[NH2+]CCn2cnc(C#N)n2)c(C(F)(F)F)c1	ZINC000894749836	818402425	/nfs/dbraw/zinc/40/24/25/818402425.db2.gz	LOLUHTXNRXBWGE-UHFFFAOYSA-N	1	0	353.304	1.745	20	30		FDEDRO
C=CCOc1ccc(CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cc1	ZINC000894753367	818407151	/nfs/dbraw/zinc/40/71/51/818407151.db2.gz	HXIAOCCEUBLQCR-OALUTQOASA-N	1	0	359.470	1.992	20	30		FDEDRO
CCC[C@@H](OCC)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC#CCOC)C1	ZINC001112148645	818425010	/nfs/dbraw/zinc/42/50/10/818425010.db2.gz	WGARIJZUSDESLT-RBSFLKMASA-N	1	0	364.408	1.820	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ncnn2C(C)C)C1	ZINC000983698452	818594144	/nfs/dbraw/zinc/59/41/44/818594144.db2.gz	MWNMZLBAGXAWMT-VQHPVUNQSA-N	1	0	361.490	1.825	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]CCn1c(C)csc1=O	ZINC001167985730	818772469	/nfs/dbraw/zinc/77/24/69/818772469.db2.gz	LCNHXWHQLQUJCI-HOTGVXAUSA-N	1	0	367.515	1.685	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)CC(=O)NCC3CC3)CC2)cc1	ZINC000427514041	818872020	/nfs/dbraw/zinc/87/20/20/818872020.db2.gz	MJMZLSLAYRYDTM-UHFFFAOYSA-N	1	0	354.454	1.509	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC000937415546	818887643	/nfs/dbraw/zinc/88/76/43/818887643.db2.gz	MNFVLFHZKUWRFJ-VNQPRFMTSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=CCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)[C@@H](C)COC	ZINC000664884136	818903905	/nfs/dbraw/zinc/90/39/05/818903905.db2.gz	VKKCAEAHHPJWAD-XYTVBORESA-N	1	0	366.506	1.303	20	30		FDEDRO
N#CCCCCNC(=O)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1	ZINC000519814815	819071450	/nfs/dbraw/zinc/07/14/50/819071450.db2.gz	KTVOOVPHKFZKDS-UHFFFAOYSA-N	1	0	374.407	1.718	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C2=COCCO2)CC[N@@H+]1Cc1ccc(OC)c(C#N)c1	ZINC001087493432	819213825	/nfs/dbraw/zinc/21/38/25/819213825.db2.gz	VPDOCKIZKCFFBB-DLBZAZTESA-N	1	0	371.437	1.924	20	30		FDEDRO
N#Cc1cnn2c1NC[C@@H](C[NH2+]CC(=O)N[C@H]1CCOc3ccccc31)C2	ZINC000520230244	819262779	/nfs/dbraw/zinc/26/27/79/819262779.db2.gz	HYFBTLRCOIWCOZ-CJNGLKHVSA-N	1	0	366.425	1.026	20	30		FDEDRO
COc1ccc([C@H](CNC(=O)N2CC(=O)N(C)[C@@H](C)C2)[NH+]2CCCC2)cc1	ZINC000328703133	819537046	/nfs/dbraw/zinc/53/70/46/819537046.db2.gz	JZYHDDKPXSLWPL-YJBOKZPZSA-N	1	0	374.485	1.909	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)N2CCN(C3CC3)C(=O)C2)C[N@@H+]1Cc1ccccc1	ZINC000328708004	819539564	/nfs/dbraw/zinc/53/95/64/819539564.db2.gz	MCKDWFSIIMWZJT-NVXWUHKLSA-N	1	0	356.470	1.870	20	30		FDEDRO
C[C@@H](O)CN1CCN(C(=O)Nc2cn(Cc3ccccc3)nn2)C[C@@H]1C	ZINC000328743149	819542238	/nfs/dbraw/zinc/54/22/38/819542238.db2.gz	NFPFXLOCESNNCE-LSDHHAIUSA-N	1	0	358.446	1.259	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCN(C)c3ncccc32)C1	ZINC000328864059	819569706	/nfs/dbraw/zinc/56/97/06/819569706.db2.gz	BIDLVROIFFIOLU-INIZCTEOSA-N	1	0	361.490	1.651	20	30		FDEDRO
O=C(CN1CCN(c2cncc(F)c2)CC1)NC1CC[NH+](C2CC2)CC1	ZINC000328887304	819577779	/nfs/dbraw/zinc/57/77/79/819577779.db2.gz	PJEFHNZDRSDSOD-UHFFFAOYSA-N	1	0	361.465	1.926	20	30		FDEDRO
Cc1noc([C@H]2CN(CC(=O)NC3CC[NH+](C(C)C)CC3)CCN2C)n1	ZINC000328959815	819599748	/nfs/dbraw/zinc/59/97/48/819599748.db2.gz	QBJVULOPVMQFFL-MRXNPFEDSA-N	1	0	364.494	1.496	20	30		FDEDRO
CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C	ZINC000330580981	819626173	/nfs/dbraw/zinc/62/61/73/819626173.db2.gz	UCNFKZXCXZMNSW-IJEWVQPXSA-N	1	0	364.494	1.173	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1	ZINC000330574886	819626211	/nfs/dbraw/zinc/62/62/11/819626211.db2.gz	LUOOKHVTWRWYBT-MDZRGWNJSA-N	1	0	364.490	1.000	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)CC1	ZINC000330880651	819647480	/nfs/dbraw/zinc/64/74/80/819647480.db2.gz	ZDRFERHDOYNFLJ-SQNIBIBYSA-N	1	0	364.534	1.408	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)CC1	ZINC000330880649	819647777	/nfs/dbraw/zinc/64/77/77/819647777.db2.gz	ZDRFERHDOYNFLJ-FGTMMUONSA-N	1	0	364.534	1.408	20	30		FDEDRO
COc1ccc(NC(C)=O)cc1NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C	ZINC000331157999	819667757	/nfs/dbraw/zinc/66/77/57/819667757.db2.gz	DYQGNKIOYYYICH-OLZOCXBDSA-N	1	0	364.446	1.586	20	30		FDEDRO
C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1ccc(OC(F)F)cn1	ZINC000331327289	819676217	/nfs/dbraw/zinc/67/62/17/819676217.db2.gz	GBJOLWBWTFCFNZ-LBPRGKRZSA-N	1	0	372.416	1.874	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)[C@H]2C[C@@H]2C)CC1	ZINC000983852192	819787881	/nfs/dbraw/zinc/78/78/81/819787881.db2.gz	WIIFTKAZQVIQOD-NEPXVJNWSA-N	1	0	359.514	1.731	20	30		FDEDRO
C#CCOCCC(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1	ZINC000126800266	819845220	/nfs/dbraw/zinc/84/52/20/819845220.db2.gz	CZVXAQFSYSGXRA-UHFFFAOYSA-N	1	0	357.454	1.405	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2COCCO2)CCN1Cc1ccc(F)c(C#N)c1	ZINC001087505948	819901620	/nfs/dbraw/zinc/90/16/20/819901620.db2.gz	HJBPKGPOBCYFKZ-RCCFBDPRSA-N	1	0	361.417	1.582	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccc(C)nc3)[C@H]2CC)C1=O	ZINC001087506654	820023043	/nfs/dbraw/zinc/02/30/43/820023043.db2.gz	GTPYUCNGJWFWMZ-RCCFBDPRSA-N	1	0	356.470	1.760	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1	ZINC000983983837	820375557	/nfs/dbraw/zinc/37/55/57/820375557.db2.gz	CJTFUEBAEIKROU-HFTRVMKXSA-N	1	0	371.485	1.728	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@H+](C)CCCN1C(=O)c2ccccc2C1=O	ZINC000425551350	820398228	/nfs/dbraw/zinc/39/82/28/820398228.db2.gz	XSCIDKMQCUAWGN-UHFFFAOYSA-N	1	0	356.426	1.367	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000441732308	820428234	/nfs/dbraw/zinc/42/82/34/820428234.db2.gz	SGEYTAQYUOHIEM-MSOLQXFVSA-N	1	0	370.453	1.299	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnn(CC)c3)[C@H]2CC)C1=O	ZINC001087524984	820474295	/nfs/dbraw/zinc/47/42/95/820474295.db2.gz	YSTCSYOHOFMEAA-BBWFWOEESA-N	1	0	359.474	1.273	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3ccncn3)CC2)cc1	ZINC000459154771	820476503	/nfs/dbraw/zinc/47/65/03/820476503.db2.gz	UHXZHBYZCPTRGJ-UHFFFAOYSA-N	1	0	350.426	1.766	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1Cc1ccn(C)c(=O)c1	ZINC001087534764	820877045	/nfs/dbraw/zinc/87/70/45/820877045.db2.gz	IITQJWVAWZRQLT-DOTOQJQBSA-N	1	0	353.426	1.368	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1Cc1cccc(C(N)=O)c1	ZINC001087535031	820897975	/nfs/dbraw/zinc/89/79/75/820897975.db2.gz	SAHUABQJEKYQBJ-FUHWJXTLSA-N	1	0	365.437	1.768	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2CC)C1=O	ZINC001087535702	820938659	/nfs/dbraw/zinc/93/86/59/820938659.db2.gz	XLNYVODEMZQZGF-UAGQMJEPSA-N	1	0	355.442	1.256	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)cc1	ZINC000441909040	820988389	/nfs/dbraw/zinc/98/83/89/820988389.db2.gz	SZMIBARFGRHYSR-UHFFFAOYSA-N	1	0	373.457	1.485	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(-c3nnc(C)o3)c2)CC1	ZINC000442313945	821133546	/nfs/dbraw/zinc/13/35/46/821133546.db2.gz	XBOPFWIIQKBIGO-UHFFFAOYSA-N	1	0	369.425	1.750	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000521204690	821141972	/nfs/dbraw/zinc/14/19/72/821141972.db2.gz	HRKPELKFMVINSG-YRPNKDGESA-N	1	0	373.497	1.902	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCCN(CCOC)c2ccc(C#N)nc2)CC[N@@H+]1C	ZINC001126537608	821369778	/nfs/dbraw/zinc/36/97/78/821369778.db2.gz	FGPIUGQGQPRUPC-ZWKOTPCHSA-N	1	0	359.474	1.253	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cnn(C)c2N)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087550920	821369994	/nfs/dbraw/zinc/36/99/94/821369994.db2.gz	ZPHGSOURPZKBBE-DLBZAZTESA-N	1	0	352.442	1.657	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCNC2=O)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087599970	821680429	/nfs/dbraw/zinc/68/04/29/821680429.db2.gz	FIVRSEUUBSEQRZ-UHOFOFEASA-N	1	0	360.483	1.615	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)[C@@H]1CC	ZINC001087602698	821694443	/nfs/dbraw/zinc/69/44/43/821694443.db2.gz	APVPLRYAOWUWRC-FGTMMUONSA-N	1	0	371.485	1.514	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C2CC2)[C@@H]1CC	ZINC001087602978	821696137	/nfs/dbraw/zinc/69/61/37/821696137.db2.gz	QLEVYYNYXBGOID-DLBZAZTESA-N	1	0	358.486	1.878	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCNC2=O)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087610027	821729800	/nfs/dbraw/zinc/72/98/00/821729800.db2.gz	OOJATCOVLRBIFW-OKZBNKHCSA-N	1	0	354.454	1.554	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC(=O)CC2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087672981	821983318	/nfs/dbraw/zinc/98/33/18/821983318.db2.gz	QMEPHFNIURBDJG-SLFFLAALSA-N	1	0	367.493	1.924	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)n2C)CC[N@@H+]1Cc1ccc(C#N)c(F)c1	ZINC001087687300	822042169	/nfs/dbraw/zinc/04/21/69/822042169.db2.gz	WGTWPVZJHZDQJI-JKSUJKDBSA-N	1	0	371.416	1.919	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCC1	ZINC000445973691	828397526	/nfs/dbraw/zinc/39/75/26/828397526.db2.gz	HBSWSFUPXJPVBX-QGZVFWFLSA-N	1	0	369.469	1.837	20	30		FDEDRO
C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CC(F)(F)C(F)F)C[C@H]1C(F)(F)F	ZINC001112167006	822145912	/nfs/dbraw/zinc/14/59/12/822145912.db2.gz	CUCFZBKZAMDZNK-BWZBUEFSSA-N	1	0	354.266	1.637	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](N(C)C(=O)[C@]34C[C@H]3CCC4)C2)CC1	ZINC000984302264	822226146	/nfs/dbraw/zinc/22/61/46/822226146.db2.gz	RUMAJNJNLGIZRT-WOIUINJBSA-N	1	0	371.525	1.971	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc(C4CC4)n[nH]3)[C@H]2CC)C1=O	ZINC001087737064	822282097	/nfs/dbraw/zinc/28/20/97/822282097.db2.gz	AZGOOGQWBSDLCB-QGTPRVQTSA-N	1	0	371.485	1.657	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001087802986	822462827	/nfs/dbraw/zinc/46/28/27/822462827.db2.gz	VRVOHKRZAGOCLQ-OKZBNKHCSA-N	1	0	370.453	1.337	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3[nH]cnc3C)[C@H]2CC)C1=O	ZINC001087810749	822469896	/nfs/dbraw/zinc/46/98/96/822469896.db2.gz	KEYJTXMQFZROAA-USXIJHARSA-N	1	0	359.474	1.017	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CCN(Cc2cnnn2CC)[C@@H]1CC	ZINC001087811026	822470957	/nfs/dbraw/zinc/47/09/57/822470957.db2.gz	YDQYXEPBBARMDB-VQTJNVASSA-N	1	0	365.481	1.991	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCN(C(C)=O)C2)CCN1Cc1ccccc1C#N	ZINC001087812038	822476006	/nfs/dbraw/zinc/47/60/06/822476006.db2.gz	TZBHMMQTYAEEKK-SLFFLAALSA-N	1	0	368.481	1.896	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CCCN(C(=O)[C@]34C[C@H]3CCC4)C2)CC1	ZINC000984487983	822601744	/nfs/dbraw/zinc/60/17/44/822601744.db2.gz	RERVZXPWTYZXGB-WOIUINJBSA-N	1	0	371.525	1.971	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCc4ccccc43)C[C@@H]2O)c[nH]1	ZINC001083418571	822639440	/nfs/dbraw/zinc/63/94/40/822639440.db2.gz	PGLKBEYEWMEZIL-BEVDRBHNSA-N	1	0	364.449	1.781	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)/C=C/c4ccco4)C[C@@H]3C2)C1=O	ZINC001087869626	822647763	/nfs/dbraw/zinc/64/77/63/822647763.db2.gz	YUOMPOZLULEYRG-GTWCRQPWSA-N	1	0	369.465	1.860	20	30		FDEDRO
COC(=O)[C@]1(O)CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000895708838	822719257	/nfs/dbraw/zinc/71/92/57/822719257.db2.gz	VIQSEZRMLUGIEK-IBGZPJMESA-N	1	0	354.410	1.574	20	30		FDEDRO
[NH2+]=C(NC[C@H]1COC2(CCOCC2)O1)Nc1ccc2c(c1)OCCCO2	ZINC000262239214	822721015	/nfs/dbraw/zinc/72/10/15/822721015.db2.gz	XUTQDIPPMJYHJK-AWEZNQCLSA-N	1	0	363.414	1.497	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4=COCCC4)C[C@@H]3C2)C1=O	ZINC001087907646	823740887	/nfs/dbraw/zinc/74/08/87/823740887.db2.gz	QLQVFBYKLZVAPI-BPQIPLTHSA-N	1	0	359.470	1.248	20	30		FDEDRO
C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1	ZINC001088329312	828576021	/nfs/dbraw/zinc/57/60/21/828576021.db2.gz	SPGBVUXAVVWBPV-RCCFBDPRSA-N	1	0	358.486	1.882	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC#N)C(F)(F)F	ZINC000928799785	828593665	/nfs/dbraw/zinc/59/36/65/828593665.db2.gz	GFTZQFDOGWCFQK-GHMZBOCLSA-N	1	0	366.384	1.792	20	30		FDEDRO
CC(C)N1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]3C2)C1=O	ZINC001087934625	823977455	/nfs/dbraw/zinc/97/74/55/823977455.db2.gz	QJIVXSPFYGRATF-VKJFTORMSA-N	1	0	369.469	1.290	20	30		FDEDRO
O=C(C[C@@H]1COC(=O)C1)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001087934135	823991234	/nfs/dbraw/zinc/99/12/34/823991234.db2.gz	RYJDRUYRVNHRAG-ZCNNSNEGSA-N	1	0	366.461	1.772	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCOCC3)C[C@@H]2C1	ZINC001087937624	824005836	/nfs/dbraw/zinc/00/58/36/824005836.db2.gz	LDBIQWOJDXVOLT-UXHICEINSA-N	1	0	368.481	1.171	20	30		FDEDRO
C[C@H](c1cnccn1)[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C1	ZINC001087940714	824038036	/nfs/dbraw/zinc/03/80/36/824038036.db2.gz	UMPFUQPQRHMISO-FMKPAKJESA-N	1	0	350.426	1.831	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cn4nccn4)C[C@@H]3C2)c1	ZINC001087980827	824348231	/nfs/dbraw/zinc/34/82/31/824348231.db2.gz	VNEXEOSIPGHRBF-MSOLQXFVSA-N	1	0	350.426	1.130	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3[nH]c4ccccc4c3C#N)CC2)C1	ZINC000896390167	824376502	/nfs/dbraw/zinc/37/65/02/824376502.db2.gz	NOOGVHQIJNUXED-HNNXBMFYSA-N	1	0	351.454	1.892	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C)[NH+]1CCC(C)CC1	ZINC000329059419	824550036	/nfs/dbraw/zinc/55/00/36/824550036.db2.gz	UJHKSPQGSZJMKT-IXDOHACOSA-N	1	0	365.522	1.959	20	30		FDEDRO
COCc1nc2n(n1)C[C@@H]([NH+]=C([O-])N1CCCC13CC[NH+](C)CC3)CC2	ZINC000329080678	824565046	/nfs/dbraw/zinc/56/50/46/824565046.db2.gz	RMDSPFVNWCYZEV-AWEZNQCLSA-N	1	0	362.478	1.214	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)NCC3(O)CCCC3)cn2)CC1	ZINC000329122654	824611248	/nfs/dbraw/zinc/61/12/48/824611248.db2.gz	RGVVEXQQYVECGP-UHFFFAOYSA-N	1	0	361.490	1.532	20	30		FDEDRO
Cc1nn(C)c(C)c1OCC(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1	ZINC000329189192	824654536	/nfs/dbraw/zinc/65/45/36/824654536.db2.gz	QPUUIVPFBRNEMZ-HNNXBMFYSA-N	1	0	363.462	1.067	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@H]([NH+]3CCCCC3)C2)CC1	ZINC000329209162	824667042	/nfs/dbraw/zinc/66/70/42/824667042.db2.gz	BYYOCFWZLSHDQR-RBUKOAKNSA-N	1	0	361.534	1.239	20	30		FDEDRO
CC(C)[C@H](CNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O)N1CCOCC1	ZINC000329207380	824667147	/nfs/dbraw/zinc/66/71/47/824667147.db2.gz	FDMUQENBQIGOOQ-XWTMOSNGSA-N	1	0	369.506	1.119	20	30		FDEDRO
CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)N1CCCC1=O	ZINC000329213812	824672835	/nfs/dbraw/zinc/67/28/35/824672835.db2.gz	KBIYKBWFNPBJME-WTXIUTQJSA-N	1	0	364.490	1.428	20	30		FDEDRO
CC[NH+](CC)CCOc1ccc(CNC(=O)c2cnn(C)c2C#N)cc1	ZINC000474896113	824758544	/nfs/dbraw/zinc/75/85/44/824758544.db2.gz	JFMMCIMLYFPWKC-UHFFFAOYSA-N	1	0	355.442	1.942	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O	ZINC000329382099	824764098	/nfs/dbraw/zinc/76/40/98/824764098.db2.gz	QQUUWRIMYLVPHP-ZIAGYGMSSA-N	1	0	366.412	1.520	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](NC(=O)N2CCO[C@H](c3ccnc(N(C)C)n3)C2)C1	ZINC000329396577	824770532	/nfs/dbraw/zinc/77/05/32/824770532.db2.gz	XNDUIBZZPHOLSI-HOCLYGCPSA-N	1	0	362.478	1.314	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C2CCOCC2)CC1	ZINC000329429523	824782404	/nfs/dbraw/zinc/78/24/04/824782404.db2.gz	HWVPWZLVLHROGW-MOPGFXCFSA-N	1	0	362.518	1.570	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC000984789723	824919245	/nfs/dbraw/zinc/91/92/45/824919245.db2.gz	CMAQAIRYRDTKNK-WNRNVDISSA-N	1	0	371.485	1.726	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3[nH]c(C)c(C(N)=O)c3CC)C[C@@H]2C1	ZINC001087992297	824952581	/nfs/dbraw/zinc/95/25/81/824952581.db2.gz	OCMCERNVZLMRMT-CABCVRRESA-N	1	0	358.486	1.954	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)CC[C@@H]2C1	ZINC001087992600	824955394	/nfs/dbraw/zinc/95/53/94/824955394.db2.gz	BPDXUASLYIXTFL-RYRKJORJSA-N	1	0	356.470	1.299	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnc(C)n2C2CC2)C1	ZINC000984825946	825033143	/nfs/dbraw/zinc/03/31/43/825033143.db2.gz	JJRYGMWWWSGPCB-SRABZTEZSA-N	1	0	359.474	1.497	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cc4ccccc4)C[C@@H]3C2)C1=O	ZINC001088015987	825268734	/nfs/dbraw/zinc/26/87/34/825268734.db2.gz	JXSFJXMMBMMYBQ-AABGKKOBSA-N	1	0	367.493	1.796	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H](CCO)C3)cn2)CC1	ZINC000329685670	825302758	/nfs/dbraw/zinc/30/27/58/825302758.db2.gz	BDIZMNGWGHDTQS-INIZCTEOSA-N	1	0	361.490	1.342	20	30		FDEDRO
CCOc1ccnc(N2CCN(C(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)CC2)n1	ZINC000329707106	825345165	/nfs/dbraw/zinc/34/51/65/825345165.db2.gz	LHAOTQAQBKEZBZ-HNNXBMFYSA-N	1	0	374.489	1.562	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(OC)cc3)C[C@@H]2C1	ZINC001088030704	825447249	/nfs/dbraw/zinc/44/72/49/825447249.db2.gz	DQHVUZAOBQMJQJ-CVEARBPZSA-N	1	0	355.438	1.437	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)CC[N@@H+]1C	ZINC000329809069	825470277	/nfs/dbraw/zinc/47/02/77/825470277.db2.gz	PVHRTZUHCHFEHM-PBHICJAKSA-N	1	0	362.449	1.980	20	30		FDEDRO
O=C(N[C@@H]1CCc2c[nH]nc2C1)N1CCC(CC[NH+]2CCOCC2)CC1	ZINC000329869946	825515893	/nfs/dbraw/zinc/51/58/93/825515893.db2.gz	ZORCWZYOPRAFKZ-QGZVFWFLSA-N	1	0	361.490	1.615	20	30		FDEDRO
CC(=O)N1CCC[C@H](CNC(=O)N2CC[NH+](CC3CCOCC3)CC2)C1	ZINC000330030287	825606440	/nfs/dbraw/zinc/60/64/40/825606440.db2.gz	RIPKGIHSUHPMJV-GOSISDBHSA-N	1	0	366.506	1.203	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N3CC[N@H+](C)[C@H](C(C)C)C3)CC2)o1	ZINC000526029736	828805163	/nfs/dbraw/zinc/80/51/63/828805163.db2.gz	BMQDFYWNRCQIRU-KRWDZBQOSA-N	1	0	359.474	1.870	20	30		FDEDRO
O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1cn([C@@H]2CCOC2)nn1	ZINC000330118121	825651681	/nfs/dbraw/zinc/65/16/81/825651681.db2.gz	YAXCWWVLOGJWBD-MRXNPFEDSA-N	1	0	371.441	1.833	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1C[C@H](C)O[C@]2(CCCOC2)C1	ZINC000330133117	825664242	/nfs/dbraw/zinc/66/42/42/825664242.db2.gz	QWZFIIVTEVLUCJ-ZIFCJYIRSA-N	1	0	368.522	1.196	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2	ZINC000330134540	825664937	/nfs/dbraw/zinc/66/49/37/825664937.db2.gz	MLDGQFOODAFHNJ-JKSUJKDBSA-N	1	0	361.490	1.978	20	30		FDEDRO
Cc1ccnc(N2CCN(C(=O)NC3CCN(C(=O)C4CC4)CC3)CC2)c1	ZINC000330160674	825693305	/nfs/dbraw/zinc/69/33/05/825693305.db2.gz	SGWJVQGZZBISIU-UHFFFAOYSA-N	1	0	371.485	1.827	20	30		FDEDRO
COc1cccc(CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1OC	ZINC000330182657	825709729	/nfs/dbraw/zinc/70/97/29/825709729.db2.gz	HJADCFIAKVNUOL-OAHLLOKOSA-N	1	0	363.458	1.772	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)Nc4ccccc43)C[C@@H]2C1	ZINC001088059829	825717477	/nfs/dbraw/zinc/71/74/77/825717477.db2.gz	WLFJGAWLLKTMEF-SOLBZPMBSA-N	1	0	351.450	1.916	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cnc4c(c3)c(C)nn4C)C[C@@H]2C1	ZINC001088059959	825718486	/nfs/dbraw/zinc/71/84/86/825718486.db2.gz	DPLGWPPDWGWGQD-WBVHZDCISA-N	1	0	351.454	1.694	20	30		FDEDRO
Cc1n[nH]nc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)CC[C@@H]2C1	ZINC001088062722	825757505	/nfs/dbraw/zinc/75/75/05/825757505.db2.gz	UBSHJBVLTOYDIU-SJORKVTESA-N	1	0	350.426	1.579	20	30		FDEDRO
C[C@@]1(CO)CCC[C@H]1[NH2+]CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1	ZINC000330271808	825784018	/nfs/dbraw/zinc/78/40/18/825784018.db2.gz	WOICARITJWLRBM-XLIONFOSSA-N	1	0	374.485	1.517	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2C)CC1	ZINC000330282678	825793672	/nfs/dbraw/zinc/79/36/72/825793672.db2.gz	VMUOBWAQSOCJBB-ZVZYQTTQSA-N	1	0	363.506	1.789	20	30		FDEDRO
Cc1nnc([C@@H]2CN(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)CCO2)[nH]1	ZINC000330290379	825814391	/nfs/dbraw/zinc/81/43/91/825814391.db2.gz	FRWDSWSJCPWWNU-IRXDYDNUSA-N	1	0	370.457	1.675	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C(N)=O)C[C@H]1C(F)(F)F	ZINC001112192185	828831578	/nfs/dbraw/zinc/83/15/78/828831578.db2.gz	MSVMIEBOEWZHIZ-UPJWGTAASA-N	1	0	362.396	1.475	20	30		FDEDRO
C[NH+]1CCN(c2ccc(NC(=O)c3cn[nH]c3[C@H]3CCOC3)cn2)CC1	ZINC000330303756	825863321	/nfs/dbraw/zinc/86/33/21/825863321.db2.gz	PMFJVCIIGVKAPA-ZDUSSCGKSA-N	1	0	356.430	1.697	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cocc4C)C[C@@H]3C2)C1=O	ZINC001088070849	825912395	/nfs/dbraw/zinc/91/23/95/825912395.db2.gz	DLYWTTUHRQGKJG-RYRKJORJSA-N	1	0	357.454	1.769	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1=O	ZINC000281464787	825963625	/nfs/dbraw/zinc/96/36/25/825963625.db2.gz	VNVRHJQHBIULTR-MRXNPFEDSA-N	1	0	360.414	1.951	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1)C(C)C	ZINC000281499985	825972232	/nfs/dbraw/zinc/97/22/32/825972232.db2.gz	KGIUTQIOFWRJLZ-LJQANCHMSA-N	1	0	370.497	1.537	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3ccccn3)[C@@H]2CC)CC1	ZINC000984993129	826041973	/nfs/dbraw/zinc/04/19/73/826041973.db2.gz	SCILVIRZTNLCCM-PKOBYXMFSA-N	1	0	368.481	1.536	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000665537149	826049441	/nfs/dbraw/zinc/04/94/41/826049441.db2.gz	HXDBPMHTBAVFFR-FQEVSTJZSA-N	1	0	372.513	1.391	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C4(C(N)=O)CC4)C[C@@H]3C2)cc1F	ZINC001088088964	826321650	/nfs/dbraw/zinc/32/16/50/826321650.db2.gz	UUUVOLRQBFFVLR-CVEARBPZSA-N	1	0	370.428	1.243	20	30		FDEDRO
C=CCN1CC[C@H]([NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C1=O	ZINC000281958384	826350710	/nfs/dbraw/zinc/35/07/10/826350710.db2.gz	KFEMHHSUTQSUKH-SFHVURJKSA-N	1	0	352.438	1.996	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cn(C)nc3C)CC[C@@H]2C1	ZINC001088112653	826445070	/nfs/dbraw/zinc/44/50/70/826445070.db2.gz	QTVLYDRYAAFCNE-LULLPPNCSA-N	1	0	358.486	1.600	20	30		FDEDRO
N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4cnc[nH]4)C[C@@H]3C2)c1	ZINC001088121083	826485773	/nfs/dbraw/zinc/48/57/73/826485773.db2.gz	NSVVYGRPDHAQKE-WBVHZDCISA-N	1	0	367.428	1.943	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cc(C)[nH]c4C)C[C@@H]3C2)C1=O	ZINC001088122514	826510853	/nfs/dbraw/zinc/51/08/53/826510853.db2.gz	GATRNNFDQRCVQY-ZIFCJYIRSA-N	1	0	370.497	1.812	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H]3C[N@H+]([C@H](C)C(=O)NC)CC[C@@H]3C2)cc1	ZINC001088133046	826570786	/nfs/dbraw/zinc/57/07/86/826570786.db2.gz	PNRHHWUVKBJJAA-NXHRZFHOSA-N	1	0	369.465	1.227	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4n[nH]c(=O)n4c3)C[C@@H]2C1	ZINC001088137972	826619999	/nfs/dbraw/zinc/61/99/99/826619999.db2.gz	MWXXQCYHFGISKO-OCCSQVGLSA-N	1	0	361.833	1.581	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC(=O)N3)C[C@@H]2C1	ZINC001088138519	826623137	/nfs/dbraw/zinc/62/31/37/826623137.db2.gz	OPBZXPXLNMVQHU-QYZOEREBSA-N	1	0	366.465	1.507	20	30		FDEDRO
Cn1ncc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4C#N)CC[C@@H]3C2)n1	ZINC001088139625	826642233	/nfs/dbraw/zinc/64/22/33/826642233.db2.gz	WMLPHNJAKKWMOH-SJORKVTESA-N	1	0	350.426	1.281	20	30		FDEDRO
C=C(C)COCCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000475078954	826652444	/nfs/dbraw/zinc/65/24/44/826652444.db2.gz	DTJGEFOGVSORDC-MOPGFXCFSA-N	1	0	361.486	1.761	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnon3)C[C@@H]2C1	ZINC001088145739	826707374	/nfs/dbraw/zinc/70/73/74/826707374.db2.gz	TXCHIXJAHKDROY-ZBFHGGJFSA-N	1	0	367.409	1.544	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cncn4)n3)C[C@@H]2C1	ZINC001088155481	826856724	/nfs/dbraw/zinc/85/67/24/826856724.db2.gz	PHGNSFJHPJHMPK-CVEARBPZSA-N	1	0	350.426	1.080	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)C[C@@H]2C1	ZINC001088155007	826883241	/nfs/dbraw/zinc/88/32/41/826883241.db2.gz	QXHPQFUUIIGJFB-BBWFWOEESA-N	1	0	359.474	1.285	20	30		FDEDRO
Cc1nonc1CC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)CC[C@@H]2C1	ZINC001088156780	826901803	/nfs/dbraw/zinc/90/18/03/826901803.db2.gz	GRWFZNNVEWULFT-MSOLQXFVSA-N	1	0	365.437	1.773	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3nc4cc[nH]cc-4n3)C[C@@H]2C1	ZINC001088164054	826938127	/nfs/dbraw/zinc/93/81/27/826938127.db2.gz	SNKFNLVMPMDCIB-CVEARBPZSA-N	1	0	351.454	1.694	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2CC)cc1	ZINC000985234758	826978513	/nfs/dbraw/zinc/97/85/13/826978513.db2.gz	XZINZAZTBMZITB-RBUKOAKNSA-N	1	0	365.477	1.873	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H]2C[N@@H+](C[C@@H]3CCOC3)CC[C@@H]2C1	ZINC001088174592	827221563	/nfs/dbraw/zinc/22/15/63/827221563.db2.gz	DTCQMYCCRFVBKY-KSZLIROESA-N	1	0	369.465	1.524	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CC[C@@H]4CCOC4)CC[C@@H]3C2)cn1	ZINC001088175375	827226068	/nfs/dbraw/zinc/22/60/68/827226068.db2.gz	SSQOZHGKUBFTJT-QRQLOZEOSA-N	1	0	353.466	1.883	20	30		FDEDRO
Cn1nccc1CCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001075845376	827251738	/nfs/dbraw/zinc/25/17/38/827251738.db2.gz	ZDVKJXKPZCTGOW-AZUAARDMSA-N	1	0	363.465	1.957	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c(F)cccc1NC(N)=O)C2	ZINC001112537192	833171214	/nfs/dbraw/zinc/17/12/14/833171214.db2.gz	USEVFOXIKYCNMN-DJJJIMSYSA-N	1	0	358.417	1.781	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(=O)n(CCCC)n3)C[C@@H]2C1	ZINC001088197091	827412608	/nfs/dbraw/zinc/41/26/08/827412608.db2.gz	QRQFAZGYCCXZJH-SJORKVTESA-N	1	0	356.470	1.461	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4coc(C)n4)C[C@H]3C2)CC1	ZINC001088211864	827492834	/nfs/dbraw/zinc/49/28/34/827492834.db2.gz	DBOIPNYVGOJDPY-MOPGFXCFSA-N	1	0	370.497	1.609	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1	ZINC001088234793	827599307	/nfs/dbraw/zinc/59/93/07/827599307.db2.gz	BSEBAKMWSHQOQL-UHOSZYNNSA-N	1	0	366.502	1.696	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)CC2)C1	ZINC001088238610	827650903	/nfs/dbraw/zinc/65/09/03/827650903.db2.gz	YLJZMQNTQWKQFH-KURKYZTESA-N	1	0	363.502	1.226	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)o2)C[C@H]1C(F)(F)F	ZINC001112182642	827658194	/nfs/dbraw/zinc/65/81/94/827658194.db2.gz	RFZQGQSMPWLRSC-VXGBXAGGSA-N	1	0	360.332	1.531	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(=[NH2+])N2CCN(c3ncccn3)CC2)C12CCCC2	ZINC000262506271	827681594	/nfs/dbraw/zinc/68/15/94/827681594.db2.gz	BJUHBFMRDMWMDM-JKSUJKDBSA-N	1	0	358.490	1.651	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCCc1ccccc1OC(F)(F)F	ZINC000305048039	828031935	/nfs/dbraw/zinc/03/19/35/828031935.db2.gz	YZJJQBDODDTXPY-UHFFFAOYSA-N	1	0	374.407	1.754	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C	ZINC000523240962	828154477	/nfs/dbraw/zinc/15/44/77/828154477.db2.gz	QXRKQBOWXALLEL-RDJZCZTQSA-N	1	0	372.469	1.384	20	30		FDEDRO
C=CC[C@H]1[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)CCCC1(C)C	ZINC000444783167	828190349	/nfs/dbraw/zinc/19/03/49/828190349.db2.gz	KDUVYCZAEJOZEJ-QGZVFWFLSA-N	1	0	364.534	1.286	20	30		FDEDRO
CC(C)[NH+]1CCC(N2CCN([C@H](C)C(=O)NC3(C#N)CCC3)CC2)CC1	ZINC000527048639	828942242	/nfs/dbraw/zinc/94/22/42/828942242.db2.gz	ZTLXWEJTYQVLKW-QGZVFWFLSA-N	1	0	361.534	1.428	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C[C@H]4CCNC4=O)[C@@H]3C2)cc1	ZINC001075874138	828986626	/nfs/dbraw/zinc/98/66/26/828986626.db2.gz	IRVIJRQZKWYTCL-FGTMMUONSA-N	1	0	352.438	1.117	20	30		FDEDRO
Cc1cccc(NC(=O)[C@H]2CCC[N@@H+]([C@@H](C)C(=O)NC3(C#N)CCC3)C2)n1	ZINC000527297762	829022826	/nfs/dbraw/zinc/02/28/26/829022826.db2.gz	QJDHXJCEGKHAFI-HOTGVXAUSA-N	1	0	369.469	1.992	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1CC[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1	ZINC001059625841	829032141	/nfs/dbraw/zinc/03/21/41/829032141.db2.gz	HFSPCMXOZHWVLY-ARFHVFGLSA-N	1	0	356.470	1.918	20	30		FDEDRO
Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)ncc1C(N)=O	ZINC000448815539	829250030	/nfs/dbraw/zinc/25/00/30/829250030.db2.gz	GAKYQVIWBKWBID-UHFFFAOYSA-N	1	0	365.437	1.565	20	30		FDEDRO
C=CCOc1ccc(CC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1	ZINC000448876329	829280149	/nfs/dbraw/zinc/28/01/49/829280149.db2.gz	WMUMJSQUMJIGJQ-KRWDZBQOSA-N	1	0	359.470	1.498	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCOCC2(CCOCC2)C1	ZINC000528438296	829410474	/nfs/dbraw/zinc/41/04/74/829410474.db2.gz	BIFJQANLNBLBTQ-UHFFFAOYSA-N	1	0	368.433	1.415	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1	ZINC000528461629	829415091	/nfs/dbraw/zinc/41/50/91/829415091.db2.gz	BCPMFDHQOALOGN-KBPBESRZSA-N	1	0	371.359	1.298	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C[C@H](O)COc1ccccc1C#N	ZINC000528481177	829420119	/nfs/dbraw/zinc/42/01/19/829420119.db2.gz	QSVNPYRDZKXOOF-LPHOPBHVSA-N	1	0	359.470	1.483	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC1CCC(C)CC1	ZINC001168109722	829525791	/nfs/dbraw/zinc/52/57/91/829525791.db2.gz	FTYATTXLNSNVJP-AKSNENBUSA-N	1	0	365.518	1.758	20	30		FDEDRO
N#Cc1ccc(C2([NH2+]C[C@@](O)(C(N)=O)c3ccccc3)CCOCC2)cc1	ZINC000528780982	829560157	/nfs/dbraw/zinc/56/01/57/829560157.db2.gz	FQLJHBFEIOJAPG-NRFANRHFSA-N	1	0	365.433	1.527	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(OC)no2)C1	ZINC001029864426	829585788	/nfs/dbraw/zinc/58/57/88/829585788.db2.gz	NBYCJPRFCDSOAG-ZVZYQTTQSA-N	1	0	363.458	1.945	20	30		FDEDRO
C[C@@H]1C[C@]1(C#N)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1	ZINC000449914182	829724839	/nfs/dbraw/zinc/72/48/39/829724839.db2.gz	TYYRAMGTLLLRKV-OXQOHEQNSA-N	1	0	356.470	1.825	20	30		FDEDRO
Cc1[nH]c(C#N)cc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000450180953	829846764	/nfs/dbraw/zinc/84/67/64/829846764.db2.gz	NJTYQBRRAJZXHN-LPHOPBHVSA-N	1	0	352.438	1.808	20	30		FDEDRO
CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C1)[NH+](C)C	ZINC000985980306	830236337	/nfs/dbraw/zinc/23/63/37/830236337.db2.gz	VIRKUUPAXOAFKY-UKPHBRMFSA-N	1	0	357.458	1.147	20	30		FDEDRO
CC#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1	ZINC001105425685	830242097	/nfs/dbraw/zinc/24/20/97/830242097.db2.gz	WLSGDHKOHHCWBL-KIQACKJLSA-N	1	0	367.493	1.731	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NCCc2nnc3n2CCCCC3)cc1OC	ZINC000303772604	830296882	/nfs/dbraw/zinc/29/68/82/830296882.db2.gz	DTADIOAMEASJQJ-UHFFFAOYSA-N	1	0	358.446	1.991	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1	ZINC001059677822	830326862	/nfs/dbraw/zinc/32/68/62/830326862.db2.gz	IUCAFZOPRATQQV-KSZLIROESA-N	1	0	363.502	1.418	20	30		FDEDRO
CC(C)O[C@@H]1C[C@H]([NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1(C)C	ZINC000451492768	830379675	/nfs/dbraw/zinc/37/96/75/830379675.db2.gz	GEOMKYYUCILSGL-FGTMMUONSA-N	1	0	364.534	1.860	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1	ZINC000451708503	830429723	/nfs/dbraw/zinc/42/97/23/830429723.db2.gz	MYOYVHARFAFLIV-DLBZAZTESA-N	1	0	358.486	1.841	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)C1	ZINC000986067953	830488736	/nfs/dbraw/zinc/48/87/36/830488736.db2.gz	RPASBQBHMZUSBB-AQNXPRMDSA-N	1	0	371.525	1.829	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](C(=O)OC)[C@H](c2ccccc2)C1	ZINC000452003142	830500794	/nfs/dbraw/zinc/50/07/94/830500794.db2.gz	IIGQHUXUFXZBEV-BPUTZDHNSA-N	1	0	359.426	1.275	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCC[N@@H+](CCCO)C3)cc2C1=O	ZINC000452375332	830637739	/nfs/dbraw/zinc/63/77/39/830637739.db2.gz	MQCGQHZDXFXOFG-OAHLLOKOSA-N	1	0	371.437	1.045	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)ccc1C#N	ZINC000453608651	830966285	/nfs/dbraw/zinc/96/62/85/830966285.db2.gz	HFKNAPFVQKOYAE-KRWDZBQOSA-N	1	0	365.437	1.489	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNC(=O)C(=O)Nc2cc(C)cc(C#N)c2)CC1	ZINC000453635188	830975080	/nfs/dbraw/zinc/97/50/80/830975080.db2.gz	CFNWTSWVSKQZTO-UHFFFAOYSA-N	1	0	372.469	1.811	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)Nc2cc(C)cc(C#N)c2)CC1	ZINC000453626870	830984980	/nfs/dbraw/zinc/98/49/80/830984980.db2.gz	UJEBRHPMSLFGJE-MRXNPFEDSA-N	1	0	371.485	1.195	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1	ZINC000986151135	831210628	/nfs/dbraw/zinc/21/06/28/831210628.db2.gz	LQZSSVXUPBAVEP-BBWFWOEESA-N	1	0	360.502	1.717	20	30		FDEDRO
C[NH+]=C(NCc1cc2c(cc1OC)C[C@@H](C)O2)N(C)Cc1cnn(C)c1	ZINC000262795247	831474532	/nfs/dbraw/zinc/47/45/32/831474532.db2.gz	PISIQHQKHIRMCI-CYBMUJFWSA-N	1	0	357.458	1.960	20	30		FDEDRO
C[NH+]=C(NC[C@H](O)C1CCCCC1)N[C@H]1CCCN(c2cnn(C)c2)C1	ZINC000262803779	831511792	/nfs/dbraw/zinc/51/17/92/831511792.db2.gz	RXIFZFRHGFCAPB-WMZOPIPTSA-N	1	0	362.522	1.495	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H]3CN(C(=O)C#CC4CC4)CC[C@@H]3C2)C1	ZINC000986539679	831861637	/nfs/dbraw/zinc/86/16/37/831861637.db2.gz	ZLJDFPYAIPPKRJ-AABGKKOBSA-N	1	0	371.525	1.829	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC)C1	ZINC001112212053	832067056	/nfs/dbraw/zinc/06/70/56/832067056.db2.gz	KCXGIEXYKOMCCM-VXGBXAGGSA-N	1	0	364.412	1.639	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CCNC(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC001059733347	832085036	/nfs/dbraw/zinc/08/50/36/832085036.db2.gz	GSLDDHBGVNXNFP-QILLFSRXSA-N	1	0	371.485	1.585	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@](C)(NC(C)=O)C(C)C)C[C@H]1C(F)(F)F	ZINC001112213769	832150356	/nfs/dbraw/zinc/15/03/56/832150356.db2.gz	ZRVJYLPXDUOHRN-FMKPAKJESA-N	1	0	361.408	1.539	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CC[C@@H]2C1	ZINC000986685614	832195779	/nfs/dbraw/zinc/19/57/79/832195779.db2.gz	KGDQJNIYEGOXPM-XHSDSOJGSA-N	1	0	369.469	1.291	20	30		FDEDRO
C[N@@H+](Cc1cccc(C#N)c1)CC1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1	ZINC001029995688	832330165	/nfs/dbraw/zinc/33/01/65/832330165.db2.gz	UZQLZHIFHINFTQ-MSOLQXFVSA-N	1	0	354.454	1.350	20	30		FDEDRO
C[N@@H+](Cc1ccccc1C#N)CC1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1	ZINC001029997029	832336504	/nfs/dbraw/zinc/33/65/04/832336504.db2.gz	ZKWJIYPJJLLABH-MSOLQXFVSA-N	1	0	354.454	1.350	20	30		FDEDRO
C#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1	ZINC001105439835	832388150	/nfs/dbraw/zinc/38/81/50/832388150.db2.gz	PCJGNYLFVSQWFP-YXTQBTIXSA-N	1	0	362.477	1.963	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(C[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)C1=O	ZINC000348489502	832419341	/nfs/dbraw/zinc/41/93/41/832419341.db2.gz	VCARPNONKPMVNJ-ROUUACIJSA-N	1	0	373.453	1.955	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CC[C@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)O1	ZINC000263110690	832444662	/nfs/dbraw/zinc/44/46/62/832444662.db2.gz	ARMQPGPMPDNUQY-HIFRSBDPSA-N	1	0	362.430	1.210	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC[N@@H+]1C	ZINC000987051990	832502327	/nfs/dbraw/zinc/50/23/27/832502327.db2.gz	WTAUVRJDYTZQGJ-QGPMSJSTSA-N	1	0	371.485	1.728	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3cc(CC)n[nH]3)[C@H]2C)CC1	ZINC000987377693	832884134	/nfs/dbraw/zinc/88/41/34/832884134.db2.gz	NRXUOIOSUVVEAF-PBHICJAKSA-N	1	0	371.485	1.037	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)CC[N@@H+]1C	ZINC000987647278	833513922	/nfs/dbraw/zinc/51/39/22/833513922.db2.gz	REUAMHPLXATKSU-ISWURRPUSA-N	1	0	357.458	1.336	20	30		FDEDRO
C#CC[C@@H]1CCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1	ZINC000888160155	833698016	/nfs/dbraw/zinc/69/80/16/833698016.db2.gz	BBNAHIOCEYVMJA-GOSISDBHSA-N	1	0	370.501	1.434	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@H]3CC3(F)F)[C@H]2C)CC1	ZINC000987851389	833735099	/nfs/dbraw/zinc/73/50/99/833735099.db2.gz	JGTQWNYKJSOAJZ-YUELXQCFSA-N	1	0	353.413	1.092	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)[C@H]2C)nc1	ZINC000987953850	833839714	/nfs/dbraw/zinc/83/97/14/833839714.db2.gz	OBWFQFJBKLQZJE-QAPCUYQASA-N	1	0	368.481	1.514	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C)cc1	ZINC000988190930	834193195	/nfs/dbraw/zinc/19/31/95/834193195.db2.gz	REYULENPEPNYLZ-XPGWFJOJSA-N	1	0	365.477	1.729	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)CCn2ccnc2)[C@@H]1C	ZINC000988255466	834284302	/nfs/dbraw/zinc/28/43/02/834284302.db2.gz	SJIRBCLCKHMXDS-DFEOGRTESA-N	1	0	374.485	1.750	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN1Cc1ccccc1C#N	ZINC001088571460	834838777	/nfs/dbraw/zinc/83/87/77/834838777.db2.gz	ATLHTBGNNUIULC-YSGRDPCXSA-N	1	0	352.482	1.979	20	30		FDEDRO
C[C@H]1C[N@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCCO1	ZINC000245610222	835501224	/nfs/dbraw/zinc/50/12/24/835501224.db2.gz	AVKWZQRIXFVERT-QFBILLFUSA-N	1	0	374.460	1.645	20	30		FDEDRO
C[NH+](C)CC(=O)N1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1	ZINC000454656237	835625862	/nfs/dbraw/zinc/62/58/62/835625862.db2.gz	CLTAGKUGPLKKEY-UHFFFAOYSA-N	1	0	356.470	1.359	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)C3CC(F)(F)C3)[C@@H]2C)CC1	ZINC000988505709	835644710	/nfs/dbraw/zinc/64/47/10/835644710.db2.gz	BVMIPNVWINZFJL-CJNGLKHVSA-N	1	0	367.440	1.483	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)Cc3ccoc3)[C@@H]2C)CC1	ZINC000988505557	835653153	/nfs/dbraw/zinc/65/31/53/835653153.db2.gz	ANAYLYZCBQFQFS-QAPCUYQASA-N	1	0	357.454	1.273	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3conc3C)[C@@H]2C)CC1	ZINC000988506461	835658236	/nfs/dbraw/zinc/65/82/36/835658236.db2.gz	MHDNQIMXFVLQJV-PBHICJAKSA-N	1	0	358.442	1.047	20	30		FDEDRO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC[C@@]3(CCOC3)C2)CC1	ZINC000245862655	835696574	/nfs/dbraw/zinc/69/65/74/835696574.db2.gz	IZXQNGZPBLNDTO-QFBILLFUSA-N	1	0	374.510	1.569	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H]1C	ZINC000988627795	836315605	/nfs/dbraw/zinc/31/56/05/836315605.db2.gz	BTGWOABTWNEPGF-NJAFHUGGSA-N	1	0	370.497	1.735	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](CCCOc2ccc(F)cc2)C[C@H]1OC	ZINC001212035818	836330459	/nfs/dbraw/zinc/33/04/59/836330459.db2.gz	CQFVQHDKDAFUJY-QZTJIDSGSA-N	1	0	366.433	1.613	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cncn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105669219	844158634	/nfs/dbraw/zinc/15/86/34/844158634.db2.gz	PYJMMVSMXBEILQ-ZAWLATJESA-N	1	0	361.490	1.210	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C[C@H]3CCS(=O)(=O)C3)[C@@H]2C)cc1	ZINC001088786813	844171134	/nfs/dbraw/zinc/17/11/34/844171134.db2.gz	ASGZRCCTGVMWEQ-KYJSFNMBSA-N	1	0	360.479	1.295	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnc4c(c3)NC(=O)CO4)[C@@H]2C1	ZINC001075996079	844205966	/nfs/dbraw/zinc/20/59/66/844205966.db2.gz	TXHNQDDETJVCKX-XJKSGUPXSA-N	1	0	356.426	1.525	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1O	ZINC001083456429	837344666	/nfs/dbraw/zinc/34/46/66/837344666.db2.gz	ULKOEDMWIABVQC-QYZOEREBSA-N	1	0	356.470	1.092	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1	ZINC000988989970	838089853	/nfs/dbraw/zinc/08/98/53/838089853.db2.gz	MVEYDBGYXIGXNU-MHORFTMASA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3cc(F)c[nH]3)[C@H]2C)CC1	ZINC000989007219	838104383	/nfs/dbraw/zinc/10/43/83/838104383.db2.gz	RODGUYPXXHIDJZ-CJNGLKHVSA-N	1	0	360.433	1.218	20	30		FDEDRO
CC(=O)N1CCC[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000192491183	838318706	/nfs/dbraw/zinc/31/87/06/838318706.db2.gz	DFJHIHMPZCNNMI-LJQANCHMSA-N	1	0	356.470	1.707	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NCc1ccc(OCC[NH+](CC)CC)cc1	ZINC000272099488	838427442	/nfs/dbraw/zinc/42/74/42/838427442.db2.gz	WVLRNGXOSVFOCT-UHFFFAOYSA-N	1	0	362.474	1.509	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21	ZINC000272317872	838432990	/nfs/dbraw/zinc/43/29/90/838432990.db2.gz	KEGLZYPILRILBE-XJKSGUPXSA-N	1	0	359.401	1.329	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)[C@@H]2C)nc1	ZINC000989163749	838546333	/nfs/dbraw/zinc/54/63/33/838546333.db2.gz	ZOPUMKPATHHJPR-MIGQKNRLSA-N	1	0	363.421	1.309	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)[C@@H]1C	ZINC001088642153	838782566	/nfs/dbraw/zinc/78/25/66/838782566.db2.gz	PJPSBLHUJUBLOU-CJNGLKHVSA-N	1	0	369.425	1.719	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3ccnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105670251	844368327	/nfs/dbraw/zinc/36/83/27/844368327.db2.gz	YSDFRDUHZYKFLC-JYBIWHBTSA-N	1	0	358.486	1.181	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1C[C@H](C(=O)OC)[C@H](c2ccccc2)C1	ZINC000459554463	838831624	/nfs/dbraw/zinc/83/16/24/838831624.db2.gz	LZRBLDLOJBFLFI-SZMVWBNQSA-N	1	0	357.454	1.883	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000459826264	838969248	/nfs/dbraw/zinc/96/92/48/838969248.db2.gz	WUILGQKOJBCFHI-HDICACEKSA-N	1	0	364.534	1.428	20	30		FDEDRO
CC(C)(C)N1CC[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000897556360	839481789	/nfs/dbraw/zinc/48/17/89/839481789.db2.gz	NNASDSGKGMQMSV-IAGOWNOFSA-N	1	0	354.454	1.648	20	30		FDEDRO
Cc1nc(N2CCC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)ccc1C#N	ZINC001059968401	839521486	/nfs/dbraw/zinc/52/14/86/839521486.db2.gz	DQEVFJFYLURRDG-SOLBZPMBSA-N	1	0	355.486	1.935	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001059968660	839535057	/nfs/dbraw/zinc/53/50/57/839535057.db2.gz	MMQZQJSSCXELDW-JFIYKMOQSA-N	1	0	355.486	1.935	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CCN(C)C(=O)C2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088670420	839552198	/nfs/dbraw/zinc/55/21/98/839552198.db2.gz	GQTLPDBGJMMBIS-JLSDUUJJSA-N	1	0	354.454	1.506	20	30		FDEDRO
CC#CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CCO2	ZINC001105481871	839771762	/nfs/dbraw/zinc/77/17/62/839771762.db2.gz	IWJIGDHJAMHHFR-KYBDOYODSA-N	1	0	370.497	1.677	20	30		FDEDRO
C#CCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1cncn1C)CCO2	ZINC001105482019	839772487	/nfs/dbraw/zinc/77/24/87/839772487.db2.gz	PQKHCTKHKXSUMS-BKVYSMKUSA-N	1	0	370.497	1.677	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC000989390280	839862319	/nfs/dbraw/zinc/86/23/19/839862319.db2.gz	HSQLJBMSBNVSNE-FQLMCAECSA-N	1	0	357.458	1.336	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3CCOCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105584166	839994099	/nfs/dbraw/zinc/99/40/99/839994099.db2.gz	FAPAQKDTXUYZDR-FTEYMNFISA-N	1	0	350.503	1.955	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)F)[C@@H]2C(C)C)C[C@H]1O	ZINC001105585487	839995400	/nfs/dbraw/zinc/99/54/00/839995400.db2.gz	QHNQLDYLLCRBRQ-NNFUDEMPSA-N	1	0	356.482	1.903	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105587251	840024228	/nfs/dbraw/zinc/02/42/28/840024228.db2.gz	DVBXGTKHRCBREX-IZBJGVDFSA-N	1	0	350.503	1.648	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105585892	840042921	/nfs/dbraw/zinc/04/29/21/840042921.db2.gz	YAQFNQRMLPOIHB-HNBVOPMISA-N	1	0	350.503	1.955	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc(C)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105591585	840143807	/nfs/dbraw/zinc/14/38/07/840143807.db2.gz	RPYGRYVIKIXDEQ-PHXBYCTMSA-N	1	0	356.470	1.388	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@]2(C)OCCc3ccccc32)CC1	ZINC000897675180	840218144	/nfs/dbraw/zinc/21/81/44/840218144.db2.gz	SVFDSMYBUYLNKC-NRFANRHFSA-N	1	0	371.481	1.357	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](c3nccs3)C2)CC1	ZINC000897675183	840218368	/nfs/dbraw/zinc/21/83/68/840218368.db2.gz	TUGCWDPHQNBKPC-AWEZNQCLSA-N	1	0	362.499	1.616	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105593819	840309263	/nfs/dbraw/zinc/30/92/63/840309263.db2.gz	GSEOGAQNQXVIGI-ZAWLATJESA-N	1	0	354.491	1.192	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C	ZINC000898044802	840685626	/nfs/dbraw/zinc/68/56/26/840685626.db2.gz	BBQSMZBYTPJSSF-BQFCYCMXSA-N	1	0	372.469	1.216	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105598284	840767155	/nfs/dbraw/zinc/76/71/55/840767155.db2.gz	NOLJFEGZSRWDFN-SMOSDQRPSA-N	1	0	365.518	1.445	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105598287	840768335	/nfs/dbraw/zinc/76/83/35/840768335.db2.gz	NOLJFEGZSRWDFN-YKCBXCCJSA-N	1	0	365.518	1.445	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)c1	ZINC000842033594	840778583	/nfs/dbraw/zinc/77/85/83/840778583.db2.gz	YMJVNMUUSHQAKA-OALUTQOASA-N	1	0	353.466	1.665	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCn3cccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105598764	840779324	/nfs/dbraw/zinc/77/93/24/840779324.db2.gz	WPIXRUCADIUMGF-HNBVOPMISA-N	1	0	360.502	1.815	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCSC)[C@H]2C(C)C)C[C@H]1O	ZINC001105598799	840780382	/nfs/dbraw/zinc/78/03/82/840780382.db2.gz	XCQMCLBXQDPJPT-ZAWLATJESA-N	1	0	370.559	1.908	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCn3cccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105598824	840780883	/nfs/dbraw/zinc/78/08/83/840780883.db2.gz	XQTUHVSBAIWCAZ-HNBVOPMISA-N	1	0	358.486	1.263	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1	ZINC000842032504	840814358	/nfs/dbraw/zinc/81/43/58/840814358.db2.gz	DLAAPTSOTMEWMA-OALUTQOASA-N	1	0	369.465	1.029	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COC3CCCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105600106	840983561	/nfs/dbraw/zinc/98/35/61/840983561.db2.gz	AYMDKFDXKBOYKP-QCFAMHMHSA-N	1	0	362.514	1.935	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CSCC#N)[C@H]2C(C)C)C[C@H]1O	ZINC001105601324	841030835	/nfs/dbraw/zinc/03/08/35/841030835.db2.gz	WIRGRSBRFCHROB-LMSBXDPUSA-N	1	0	351.516	1.785	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CNC(=O)OC)[C@H]2C(C)C)C[C@H]1O	ZINC001105601255	841045238	/nfs/dbraw/zinc/04/52/38/841045238.db2.gz	VHTHVRUYHBXANA-IIHSZXCVSA-N	1	0	367.490	1.275	20	30		FDEDRO
CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000479943499	844612921	/nfs/dbraw/zinc/61/29/21/844612921.db2.gz	TWXCCBOYTWSAJW-AWEZNQCLSA-N	1	0	352.442	1.740	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CNC(=O)CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105603471	841170795	/nfs/dbraw/zinc/17/07/95/841170795.db2.gz	KMTVMERHJPXEKV-KJWYOANISA-N	1	0	371.909	1.231	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105603648	841178865	/nfs/dbraw/zinc/17/88/65/841178865.db2.gz	NFLAXEKTCDFPDM-LFGUQSLTSA-N	1	0	350.503	1.793	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cnn(C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105604347	841183879	/nfs/dbraw/zinc/18/38/79/841183879.db2.gz	TWUGTPOWGPORNF-JYBIWHBTSA-N	1	0	360.502	1.505	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cc[nH]n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105609768	841387985	/nfs/dbraw/zinc/38/79/85/841387985.db2.gz	AZYPZUYBUXBWDR-JYBIWHBTSA-N	1	0	360.502	1.885	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)[C@H]3CN(C(C)C)CCO3)[C@@H]2C)C1	ZINC000989789038	841477577	/nfs/dbraw/zinc/47/75/77/841477577.db2.gz	HRFJNWVRLYGEHM-IXDOHACOSA-N	1	0	363.502	1.558	20	30		FDEDRO
C[NH+]=C(NCC1CCN(C(C)=O)CC1)NCC1(C(=O)N(C)C)CCCC1	ZINC000086670533	841558431	/nfs/dbraw/zinc/55/84/31/841558431.db2.gz	UTHMRMCOKSTYEM-UHFFFAOYSA-N	1	0	365.522	1.059	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C)nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105611593	841892040	/nfs/dbraw/zinc/89/20/40/841892040.db2.gz	UHONLQUDDHMZKB-FTEYMNFISA-N	1	0	358.486	1.332	20	30		FDEDRO
C=CCOCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC3CCC3)C2)[C@@H]1C(C)C	ZINC001105612020	841938530	/nfs/dbraw/zinc/93/85/30/841938530.db2.gz	WTKHVKZLTTWRQO-JYBIWHBTSA-N	1	0	350.503	1.955	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[C@@H](C)O3)[C@H]2C)CC1	ZINC000990358639	842089001	/nfs/dbraw/zinc/08/90/01/842089001.db2.gz	NXFOQPQXTKDWSX-XYVMCAHJSA-N	1	0	361.486	1.005	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nccn3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105623889	842252970	/nfs/dbraw/zinc/25/29/70/842252970.db2.gz	UQKBCHUBYBRVEF-WWNBULGVSA-N	1	0	358.486	1.506	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3CN(C(C)=O)C3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105626539	842257235	/nfs/dbraw/zinc/25/72/35/842257235.db2.gz	COBJOBDZISLYCH-SOAMZJECSA-N	1	0	363.502	1.007	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn4c3CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001105631572	842264927	/nfs/dbraw/zinc/26/49/27/842264927.db2.gz	DUQVQFAPMJROJK-VELGLUOQSA-N	1	0	370.497	1.432	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc(=O)[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105614376	842265617	/nfs/dbraw/zinc/26/56/17/842265617.db2.gz	HBCCETOQUSDVJC-ZTRFORPCSA-N	1	0	359.470	1.943	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)C(N)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105636945	842269624	/nfs/dbraw/zinc/26/96/24/842269624.db2.gz	HBOCJZAYBZWDAT-NLDJYOPPSA-N	1	0	365.518	1.430	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3c[nH]cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637877	842274448	/nfs/dbraw/zinc/27/44/48/842274448.db2.gz	WTWIKJYORWSONG-LFGUQSLTSA-N	1	0	358.486	1.332	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cnc(C)o3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105632501	842279942	/nfs/dbraw/zinc/27/99/42/842279942.db2.gz	LZFVKTWQHSQJEI-HNBVOPMISA-N	1	0	359.470	1.515	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCC#N)C2)[C@H]1C(C)C	ZINC001105642042	842301648	/nfs/dbraw/zinc/30/16/48/842301648.db2.gz	GVAXAMCMLAHXGU-YKTARERQSA-N	1	0	350.507	1.206	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105641930	842307236	/nfs/dbraw/zinc/30/72/36/842307236.db2.gz	FZZTVWBFDSVMBQ-MLYOOKFZSA-N	1	0	356.470	1.388	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105643467	842339845	/nfs/dbraw/zinc/33/98/45/842339845.db2.gz	YYECHLQLIUFULS-FTEYMNFISA-N	1	0	356.470	1.388	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCC(F)F)[C@@H]2C(C)C)C[C@H]1O	ZINC001105646393	842406436	/nfs/dbraw/zinc/40/64/36/842406436.db2.gz	JIHQNUAMHCEXNV-DTDBQYNISA-N	1	0	360.445	1.810	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(N)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105651431	842446775	/nfs/dbraw/zinc/44/67/75/842446775.db2.gz	HFSSAOKENLXTHB-NNFUDEMPSA-N	1	0	353.507	1.408	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1	ZINC000477202467	842458611	/nfs/dbraw/zinc/45/86/11/842458611.db2.gz	HLISCUTWHHBQRV-PFRQMTDMSA-N	1	0	365.518	1.711	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3=CCOCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105655143	842482265	/nfs/dbraw/zinc/48/22/65/842482265.db2.gz	FSBFXDSFAGCWCE-VURPSTOHSA-N	1	0	360.498	1.713	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@@H]1C(C)C	ZINC001105655234	842483262	/nfs/dbraw/zinc/48/32/62/842483262.db2.gz	GKPLEXICLSFIKE-RNKNFESXSA-N	1	0	365.518	1.301	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ocnc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105656307	842492534	/nfs/dbraw/zinc/49/25/34/842492534.db2.gz	ORQMJOHBIORGKU-ZTRFORPCSA-N	1	0	359.470	1.840	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3ccc(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105657326	842494476	/nfs/dbraw/zinc/49/44/76/842494476.db2.gz	YGIGJICEJLYIBV-HNBVOPMISA-N	1	0	360.502	1.734	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)OCC(=O)N(CCC#N)c2ccccc2)CC1	ZINC000923793805	842542084	/nfs/dbraw/zinc/54/20/84/842542084.db2.gz	AUPFQDZSZBWJAV-UHFFFAOYSA-N	1	0	359.426	1.587	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(C(=O)NC)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105660955	842642530	/nfs/dbraw/zinc/64/25/30/842642530.db2.gz	BCSKFOQCMSIOCG-OAFZBRQQSA-N	1	0	363.502	1.055	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cn(C)ccc2=O)CCN1Cc1ccc(F)c(C#N)c1	ZINC001088734787	842665362	/nfs/dbraw/zinc/66/53/62/842665362.db2.gz	DKBUMXBWBWXKDC-ACJLOTCBSA-N	1	0	368.412	1.789	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C	ZINC000477640799	842688367	/nfs/dbraw/zinc/68/83/67/842688367.db2.gz	AKTBJZPMICOAOH-QGZVFWFLSA-N	1	0	361.446	1.538	20	30		FDEDRO
CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCN(c2cccc(C#N)n2)CC1	ZINC000461802870	843174168	/nfs/dbraw/zinc/17/41/68/843174168.db2.gz	VSNGAKOHZNQBAI-INIZCTEOSA-N	1	0	358.490	1.905	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1	ZINC000462103488	843314448	/nfs/dbraw/zinc/31/44/48/843314448.db2.gz	GEHLIYIOCBCMCX-HOTGVXAUSA-N	1	0	365.441	2.196	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(Cc3ccc(C#N)c(F)c3)C[C@@H]2O)CC[N@@H+]1C	ZINC001083474330	843427304	/nfs/dbraw/zinc/42/73/04/843427304.db2.gz	ASTGVRNDYBCNAH-AITUJVMLSA-N	1	0	374.460	1.089	20	30		FDEDRO
COc1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)[C@@H]2C)co1	ZINC001088775082	843719339	/nfs/dbraw/zinc/71/93/39/843719339.db2.gz	ARTALTWLEYTGHQ-CJNGLKHVSA-N	1	0	370.409	1.978	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C(=O)NCC3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667990	843745459	/nfs/dbraw/zinc/74/54/59/843745459.db2.gz	VLQDJWWRNSIBKK-WOCWXWTJSA-N	1	0	363.502	1.055	20	30		FDEDRO
C=CCN1CC[C@@H](N2CC[C@H](NC(=O)c3cc(C4CC4)on3)[C@H]2C)C1=O	ZINC001088778616	843769786	/nfs/dbraw/zinc/76/97/86/843769786.db2.gz	LVWJPOIPXWNVJV-IVMMDQJWSA-N	1	0	358.442	1.532	20	30		FDEDRO
C#CCN(C(=O)NC[C@@]1(c2cnn(C)c2)CCCO1)C1CC[NH+](C)CC1	ZINC000898652150	844977462	/nfs/dbraw/zinc/97/74/62/844977462.db2.gz	SXPXVLXZWPRSSH-LJQANCHMSA-N	1	0	359.474	1.165	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)CC1	ZINC000245915575	845086468	/nfs/dbraw/zinc/08/64/68/845086468.db2.gz	KUPSMAKQHVPQNI-MSOLQXFVSA-N	1	0	361.534	1.429	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2C)CCN1Cc1ccc(C#N)cc1F	ZINC001088812292	845341273	/nfs/dbraw/zinc/34/12/73/845341273.db2.gz	WUSOYPRMARZQFM-OAUYIBNBSA-N	1	0	358.417	1.397	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCOCCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105673506	845385884	/nfs/dbraw/zinc/38/58/84/845385884.db2.gz	MHZBITDSMKSTOP-ZAWLATJESA-N	1	0	354.491	1.192	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCC1)CC2	ZINC000990736964	845391050	/nfs/dbraw/zinc/39/10/50/845391050.db2.gz	FSDAFLNHMIZPRG-YZLZLFLDSA-N	1	0	361.486	1.313	20	30		FDEDRO
N#Cc1cccc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)c1	ZINC001077444081	861568533	/nfs/dbraw/zinc/56/85/33/861568533.db2.gz	JWWIMSLRVDKLOI-VAMGGRTRSA-N	1	0	368.481	1.094	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCOC(C)C)[C@H]2C(C)C)C[C@H]1O	ZINC001105674589	845505636	/nfs/dbraw/zinc/50/56/36/845505636.db2.gz	ZURHQFMRMFXHGL-IZBJGVDFSA-N	1	0	350.503	1.791	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCF)C2)[C@@H]1C(C)C	ZINC001105674722	845529213	/nfs/dbraw/zinc/52/92/13/845529213.db2.gz	JHMJLNYJLOXMSJ-FPAYPSAMSA-N	1	0	356.482	1.905	20	30		FDEDRO
CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@@](O)(CC#N)C2)[NH+](C)C)cc1	ZINC000899097957	845758830	/nfs/dbraw/zinc/75/88/30/845758830.db2.gz	JLKQMCKAEJOSEU-MJGOQNOKSA-N	1	0	359.474	1.415	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)NCc1ccc(CC[NH3+])cc1	ZINC000842228919	845764542	/nfs/dbraw/zinc/76/45/42/845764542.db2.gz	LYVOWONDJUEXMR-UHFFFAOYSA-N	1	0	355.438	1.654	20	30		FDEDRO
CC(C)c1nocc1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O	ZINC001083517567	845896953	/nfs/dbraw/zinc/89/69/53/845896953.db2.gz	IBWNGFOCPKIWIB-SJORKVTESA-N	1	0	354.410	1.645	20	30		FDEDRO
CCn1cc(CC(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)nn1	ZINC001076076792	847218356	/nfs/dbraw/zinc/21/83/56/847218356.db2.gz	IQICDRGSCDMMHN-PKOBYXMFSA-N	1	0	364.453	1.445	20	30		FDEDRO
Cc1n[nH]nc1C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21	ZINC001076117955	847309864	/nfs/dbraw/zinc/30/98/64/847309864.db2.gz	ABPHMRDNRPRDRU-DOTOQJQBSA-N	1	0	366.425	1.362	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4occc4C)[C@@H]3C2)C1=O	ZINC001076222015	847588579	/nfs/dbraw/zinc/58/85/79/847588579.db2.gz	JMYNCLRFOBGZFY-GVDBMIGSSA-N	1	0	357.454	1.450	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C5CC5)n[nH]4)[C@@H]3C2)C1=O	ZINC001076279607	847735667	/nfs/dbraw/zinc/73/56/67/847735667.db2.gz	DZJAMBRLJLCTEB-JCGIZDLHSA-N	1	0	369.469	1.220	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3C[N@H+](CCOc4ccccc4)C[C@H]32)nn1	ZINC001076337466	847884276	/nfs/dbraw/zinc/88/42/76/847884276.db2.gz	BDAMEKUPHILDPM-QFBILLFUSA-N	1	0	367.453	1.689	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4coc(C5CC5)n4)[C@@H]3C2)C1=O	ZINC001076332055	847903003	/nfs/dbraw/zinc/90/30/03/847903003.db2.gz	QHYMSHHJZPBXMF-USXIJHARSA-N	1	0	370.453	1.485	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H]3CCN(C(=O)C[C@H]4CCC(=O)N4)[C@@H]3C2)c(F)c1	ZINC001076354661	847928385	/nfs/dbraw/zinc/92/83/85/847928385.db2.gz	FVVSLAMCXXFJDU-LZLYRXPVSA-N	1	0	370.428	1.399	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cnn(C(C)C)c4)[C@@H]3C2)C1=O	ZINC001076451931	848163793	/nfs/dbraw/zinc/16/37/93/848163793.db2.gz	TZIZQVPVJBGEJY-RYQLBKOJSA-N	1	0	371.485	1.397	20	30		FDEDRO
Cn1cncc1CCC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001076517754	848314223	/nfs/dbraw/zinc/31/42/23/848314223.db2.gz	VVAIFRHUNTYQNZ-AZUAARDMSA-N	1	0	363.465	1.957	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4ccc(F)cc4)[C@@H]3C2)C1=O	ZINC001076521423	848321445	/nfs/dbraw/zinc/32/14/45/848321445.db2.gz	UBNMDKJYTSKBEA-QXAKKESOSA-N	1	0	371.456	1.688	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c(cn3)nc[nH]c4=O)[C@@H]2C1	ZINC001076509965	848324886	/nfs/dbraw/zinc/32/48/86/848324886.db2.gz	XYROWRUQNJFLKH-SUMWQHHRSA-N	1	0	353.426	1.843	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)COc3cccc(C(N)=O)c3)[C@@H]2C1	ZINC001076601993	848544500	/nfs/dbraw/zinc/54/45/00/848544500.db2.gz	ROTFASHYDIMPIK-FUHWJXTLSA-N	1	0	357.454	1.663	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)C[N@@H+](C)CCC	ZINC001076706216	848812741	/nfs/dbraw/zinc/81/27/41/848812741.db2.gz	WNFXKBMVDVCAJU-BQFCYCMXSA-N	1	0	353.507	1.711	20	30		FDEDRO
C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)CC#Cc1ccccc1	ZINC001076746026	848919324	/nfs/dbraw/zinc/91/93/24/848919324.db2.gz	ZSOIOBBPKSHCPT-YQVWRLOYSA-N	1	0	355.482	1.779	20	30		FDEDRO
CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1nn(C(C)C)cc1C#N	ZINC000249220915	849052485	/nfs/dbraw/zinc/05/24/85/849052485.db2.gz	UJXGMMJKSWFMOD-CABCVRRESA-N	1	0	358.446	1.359	20	30		FDEDRO
CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1)c1ccccc1	ZINC001076856070	849215106	/nfs/dbraw/zinc/21/51/06/849215106.db2.gz	ZXUGKQNHGXLJHN-KZNAEPCWSA-N	1	0	354.410	1.049	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C3CC3)C[C@H]2O)[nH]1	ZINC001076898379	849282179	/nfs/dbraw/zinc/28/21/79/849282179.db2.gz	GEHJJAZRDPUERG-RTBURBONSA-N	1	0	350.422	1.739	20	30		FDEDRO
CCc1ccccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1	ZINC001076907477	849302059	/nfs/dbraw/zinc/30/20/59/849302059.db2.gz	QGRYGKRZKBEVMF-RTBURBONSA-N	1	0	352.438	1.466	20	30		FDEDRO
CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CSCC#N)C[C@]2(C)C1	ZINC001101136130	849704767	/nfs/dbraw/zinc/70/47/67/849704767.db2.gz	JXTDNWGOWDUCFF-RKVPGOIHSA-N	1	0	366.531	1.279	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O	ZINC001077132181	849861072	/nfs/dbraw/zinc/86/10/72/849861072.db2.gz	REVPWTINEANVJL-PWRODBHTSA-N	1	0	369.509	1.462	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCNC(=O)[C@H]2OCC[C@H]2CC)CC1	ZINC001077138142	849868803	/nfs/dbraw/zinc/86/88/03/849868803.db2.gz	CXSWHTNRFZWKRG-JZXOWHBKSA-N	1	0	363.502	1.158	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1	ZINC001077161382	849961395	/nfs/dbraw/zinc/96/13/95/849961395.db2.gz	XACZMQHVKMRYMD-QBPKDAKJSA-N	1	0	362.474	1.015	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1cc(C)cn(C)c1=O)C(C)C	ZINC000483815629	849992809	/nfs/dbraw/zinc/99/28/09/849992809.db2.gz	HTRUKUIEDJTMJG-QGZVFWFLSA-N	1	0	374.485	1.447	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@@H]1O	ZINC001083578548	850961902	/nfs/dbraw/zinc/96/19/02/850961902.db2.gz	QUZLVHRWBVEDNE-NXHRZFHOSA-N	1	0	360.454	1.595	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CN2CC[C@H](c3ccccc3)NC2=O)CC1	ZINC000668369357	851051319	/nfs/dbraw/zinc/05/13/19/851051319.db2.gz	VKYUELNLPSYCGW-GOSISDBHSA-N	1	0	356.470	1.910	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC(C(C)(C)C[NH3+])CC1	ZINC000904946940	851522676	/nfs/dbraw/zinc/52/26/76/851522676.db2.gz	KJHVRGDQYJRCQS-UHFFFAOYSA-N	1	0	356.470	1.740	20	30		FDEDRO
C[C@@]1(C#N)CCN(C(=O)C(=O)N2CCC(C[NH3+])(c3ccccc3)CC2)C1	ZINC000904968198	851526924	/nfs/dbraw/zinc/52/69/24/851526924.db2.gz	JSFBGQIYYOMXHH-IBGZPJMESA-N	1	0	354.454	1.268	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1	ZINC000904991648	851590242	/nfs/dbraw/zinc/59/02/42/851590242.db2.gz	WNWKTMYXAHOYID-MRXNPFEDSA-N	1	0	374.510	1.816	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H](NC(=O)C3(C4CC4)CCC3)[C@@H](O)C2)cc1F	ZINC001083674985	862265498	/nfs/dbraw/zinc/26/54/98/862265498.db2.gz	GOHOJOYRHGYQLV-MSOLQXFVSA-N	1	0	357.429	1.939	20	30		FDEDRO
CO[C@@H]1C[C@H](C(=O)NCC#CC[NH+](C)C)N(C(=O)OCc2ccccc2)C1	ZINC000913524239	862288834	/nfs/dbraw/zinc/28/88/34/862288834.db2.gz	FINPOXOZCMMZTM-QZTJIDSGSA-N	1	0	373.453	1.094	20	30		FDEDRO
C#CC[C@@H](CO)[NH2+]C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2	ZINC000905357573	851856969	/nfs/dbraw/zinc/85/69/69/851856969.db2.gz	MARQFXQNOBZAAJ-JKSUJKDBSA-N	1	0	370.371	1.141	20	30		FDEDRO
COCc1nc2sc(C(=O)NCC#CC[NH+](C)C)c(C)c2c(OC)n1	ZINC000913515563	862296584	/nfs/dbraw/zinc/29/65/84/862296584.db2.gz	BWHZNKSVPXZKSU-UHFFFAOYSA-N	1	0	362.455	1.450	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)c(OC)c1	ZINC000905451744	851929983	/nfs/dbraw/zinc/92/99/83/851929983.db2.gz	ICJIEAUVVUKXMM-JYJNAYRXSA-N	1	0	369.483	1.329	20	30		FDEDRO
CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NCC#CC[NH+](C)C	ZINC000913516987	862301259	/nfs/dbraw/zinc/30/12/59/862301259.db2.gz	NYEQRLFAUHGBJR-KRWDZBQOSA-N	1	0	357.454	1.371	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1	ZINC000913521843	862306292	/nfs/dbraw/zinc/30/62/92/862306292.db2.gz	PEEURRHKCDOUIH-QFBILLFUSA-N	1	0	370.428	1.770	20	30		FDEDRO
C#CCN1CCC[C@@H]([NH2+]C[C@@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000905460583	851962848	/nfs/dbraw/zinc/96/28/48/851962848.db2.gz	NEYZURPEPHGKEY-QZTJIDSGSA-N	1	0	365.518	1.682	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1cc(I)ccc1F	ZINC000913519596	862303781	/nfs/dbraw/zinc/30/37/81/862303781.db2.gz	GXXNAGRWFAIDGN-UHFFFAOYSA-N	1	0	360.170	1.725	20	30		FDEDRO
COc1cccc(-c2noc(SCC(=O)NCC#CC[NH+](C)C)n2)c1	ZINC000913520415	862307219	/nfs/dbraw/zinc/30/72/19/862307219.db2.gz	OPVQNOKJLALUHP-UHFFFAOYSA-N	1	0	360.439	1.519	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@]1(c2ccccc2)C[C@@H](O)C1	ZINC000905535866	852000176	/nfs/dbraw/zinc/00/01/76/852000176.db2.gz	DYPFHUXPTBOCCW-ZJOUEHCJSA-N	1	0	352.434	1.980	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)nc1	ZINC000905516808	852009764	/nfs/dbraw/zinc/00/97/64/852009764.db2.gz	NTDDSWCGCWPDHT-RYUDHWBXSA-N	1	0	363.361	1.426	20	30		FDEDRO
CC1(C)CC[C@@H](CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)OC1	ZINC000905643411	852138420	/nfs/dbraw/zinc/13/84/20/852138420.db2.gz	LQVDWEKLKHLEHN-HNNXBMFYSA-N	1	0	351.472	1.912	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1	ZINC000485413946	852147497	/nfs/dbraw/zinc/14/74/97/852147497.db2.gz	VUTWJZSOMQLFNM-BHIYHBOVSA-N	1	0	356.470	1.948	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CCCN2CCSC[C@@H]12)C(=O)NC1(C#N)CCCCC1	ZINC000905852304	852353439	/nfs/dbraw/zinc/35/34/39/852353439.db2.gz	HQPLLVQBLYNOTR-XHSDSOJGSA-N	1	0	350.532	1.887	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000163830472	862422059	/nfs/dbraw/zinc/42/20/59/862422059.db2.gz	SEDXLUCMFNTPIX-CQSZACIVSA-N	1	0	362.405	1.657	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000163830593	862422169	/nfs/dbraw/zinc/42/21/69/862422169.db2.gz	SEDXLUCMFNTPIX-AWEZNQCLSA-N	1	0	362.405	1.657	20	30		FDEDRO
C[N@H+](CCNC(=O)C(=O)Nc1ccc(F)cc1OCC#N)C1CCCC1	ZINC000163833599	862423567	/nfs/dbraw/zinc/42/35/67/862423567.db2.gz	VLGCXMFJGWTYTN-UHFFFAOYSA-N	1	0	362.405	1.657	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2	ZINC000906708486	853196293	/nfs/dbraw/zinc/19/62/93/853196293.db2.gz	DXEOZZCXMFNKCA-UHFFFAOYSA-N	1	0	354.435	1.863	20	30		FDEDRO
C#CCN1CCN(C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)CC1	ZINC000164072475	862451612	/nfs/dbraw/zinc/45/16/12/862451612.db2.gz	KEYAVJZWPLMKNZ-UHFFFAOYSA-N	1	0	355.482	1.282	20	30		FDEDRO
C=CCOc1ccc(C[N@@H+]2CCC[C@H](N3CCNCC3=O)C2)cc1OC	ZINC000486020339	853379513	/nfs/dbraw/zinc/37/95/13/853379513.db2.gz	RBTXZAGPJMHMNU-KRWDZBQOSA-N	1	0	359.470	1.656	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C1	ZINC000906966429	853593109	/nfs/dbraw/zinc/59/31/09/853593109.db2.gz	GGSODADTDZFXOA-CVEARBPZSA-N	1	0	356.474	1.507	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@]2(C#N)CC3CCC2CC3)CC1	ZINC000907043195	853685932	/nfs/dbraw/zinc/68/59/32/853685932.db2.gz	MFONKSGSUQLMMS-CVVKJMNTSA-N	1	0	358.486	1.471	20	30		FDEDRO
N#Cc1ccc(C2CCN(S(=O)(=O)CCC[NH+]3CCCC3)CC2)nc1	ZINC000907367325	854109781	/nfs/dbraw/zinc/10/97/81/854109781.db2.gz	RJNSKVMZJWVOLV-UHFFFAOYSA-N	1	0	362.499	1.948	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000907720857	854563764	/nfs/dbraw/zinc/56/37/64/854563764.db2.gz	BRAVHJZLFDRVBS-OALUTQOASA-N	1	0	368.481	1.897	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC1CC[NH+](CCOC)CC1	ZINC000668632834	854788965	/nfs/dbraw/zinc/78/89/65/854788965.db2.gz	BARFBOGBPKMOCP-NVXWUHKLSA-N	1	0	351.491	1.465	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(CCC)cc2)C[C@H]1OC	ZINC001212149806	862663228	/nfs/dbraw/zinc/66/32/28/862663228.db2.gz	HISLAMUQYGDNPP-RTBURBONSA-N	1	0	371.481	1.094	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCC2CCCCCC2)C[C@H]1OC	ZINC001212149880	862666590	/nfs/dbraw/zinc/66/65/90/862666590.db2.gz	JLHHOSWNPVNADO-QZTJIDSGSA-N	1	0	363.502	1.302	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000669255810	862693468	/nfs/dbraw/zinc/69/34/68/862693468.db2.gz	NKKJZOIIYGLFRH-CVEARBPZSA-N	1	0	351.491	1.465	20	30		FDEDRO
Cn1c(-c2cccnn2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000908560199	855572653	/nfs/dbraw/zinc/57/26/53/855572653.db2.gz	BKGIQKWHDHGREG-UHFFFAOYSA-N	1	0	374.452	1.856	20	30		FDEDRO
C=CCn1c(C2CCOCC2)nnc1N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000908678146	855696047	/nfs/dbraw/zinc/69/60/47/855696047.db2.gz	GBQIJZSVLKHOEO-KRWDZBQOSA-N	1	0	363.506	1.905	20	30		FDEDRO
C=CCn1c(-c2ncon2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1	ZINC000908732762	855727051	/nfs/dbraw/zinc/72/70/51/855727051.db2.gz	VLZHKUZXNAXKAV-HIFRSBDPSA-N	1	0	355.446	1.967	20	30		FDEDRO
C=CCn1c(-c2ncon2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1	ZINC000908732763	855727233	/nfs/dbraw/zinc/72/72/33/855727233.db2.gz	VLZHKUZXNAXKAV-UKRRQHHQSA-N	1	0	355.446	1.967	20	30		FDEDRO
C=CCn1c(-c2ccc(=O)n(C)c2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1	ZINC000908741510	855738916	/nfs/dbraw/zinc/73/89/16/855738916.db2.gz	YYMFEVCEUTYWSH-INIZCTEOSA-N	1	0	354.458	1.503	20	30		FDEDRO
C#C[C@@H]1CCCCN1c1nnc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1CCOC	ZINC000909156608	856212035	/nfs/dbraw/zinc/21/20/35/856212035.db2.gz	NPSQWQXOWXERCP-ZACQAIPSSA-N	1	0	359.474	1.452	20	30		FDEDRO
N#Cc1ccc(C2(C(=O)NCC(=O)NCC[NH+]3CCCCC3)CC2)cc1	ZINC000909317745	856401467	/nfs/dbraw/zinc/40/14/67/856401467.db2.gz	ISWHNRWETCTPAP-UHFFFAOYSA-N	1	0	354.454	1.308	20	30		FDEDRO
C=C(C)Cn1c(Cc2cc(C)[nH]n2)nnc1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	ZINC000909305760	856417767	/nfs/dbraw/zinc/41/77/67/856417767.db2.gz	JDTBJSWQDXTSAY-BEFAXECRSA-N	1	0	355.490	1.864	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000487754038	856723700	/nfs/dbraw/zinc/72/37/00/856723700.db2.gz	OADSCTPISVOCBD-JQHSSLGASA-N	1	0	365.518	1.732	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1	ZINC000487806321	856745177	/nfs/dbraw/zinc/74/51/77/856745177.db2.gz	XMJORFXNCWZMKK-OKZBNKHCSA-N	1	0	364.534	1.332	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)nc1	ZINC000487826600	856753931	/nfs/dbraw/zinc/75/39/31/856753931.db2.gz	VBWMDIZYOJUUPP-IXDOHACOSA-N	1	0	355.442	1.743	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2[C@@H](C)CO)CC1	ZINC000668842254	857715324	/nfs/dbraw/zinc/71/53/24/857715324.db2.gz	JZVVMADFSRXPMH-RDJZCZTQSA-N	1	0	351.491	1.153	20	30		FDEDRO
C#CC[C@H]1CCCN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)C1	ZINC000910836566	857739398	/nfs/dbraw/zinc/73/93/98/857739398.db2.gz	IKBRXCFQEPRYMV-INIZCTEOSA-N	1	0	354.454	1.429	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N(c1ccccn1)C1CC[NH2+]CC1	ZINC000910836700	857740091	/nfs/dbraw/zinc/74/00/91/857740091.db2.gz	JGOLRLNZPTZYAJ-UHFFFAOYSA-N	1	0	362.499	1.592	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1)c1ccc(C#N)cc1	ZINC000911134081	858198679	/nfs/dbraw/zinc/19/86/79/858198679.db2.gz	LUNOWPRDNBFYNQ-ZWKOPEQDSA-N	1	0	354.332	1.083	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCN(C2CC2)CC1	ZINC000669336362	863013403	/nfs/dbraw/zinc/01/34/03/863013403.db2.gz	DVBXOSLKDUVWNC-MSOLQXFVSA-N	1	0	372.517	1.674	20	30		FDEDRO
CC(C)(C[NH3+])C1CCN(C(=O)C(=O)NCc2cc(C#N)ccc2F)CC1	ZINC000911403709	858592562	/nfs/dbraw/zinc/59/25/62/858592562.db2.gz	RQEVFHKVVPKQQW-UHFFFAOYSA-N	1	0	360.433	1.537	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2	ZINC000911439471	858621315	/nfs/dbraw/zinc/62/13/15/858621315.db2.gz	HOPJRBWFQUSNGB-WIYYLYMNSA-N	1	0	366.465	1.721	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)NC[C@H](Cc1ccc(OC)c(F)c1)C(=O)NC	ZINC000911489816	858679039	/nfs/dbraw/zinc/67/90/39/858679039.db2.gz	WENFPGRVTJZKBA-HNNXBMFYSA-N	1	0	365.449	1.363	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21	ZINC000911574132	858797284	/nfs/dbraw/zinc/79/72/84/858797284.db2.gz	ODWGREAFUBBMLE-JXFKEZNVSA-N	1	0	355.438	1.559	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)[C@@H]3[NH2+]CC[C@@H]4CCCC[C@@H]34)CC2)c1	ZINC000911637987	858843215	/nfs/dbraw/zinc/84/32/15/858843215.db2.gz	ZLHKGFLYTJTGGJ-YQVWRLOYSA-N	1	0	353.470	1.770	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2cccc(COC)c2)C[C@H]1C	ZINC001106867344	881420061	/nfs/dbraw/zinc/42/00/61/881420061.db2.gz	UZGCIFWTCUXNLI-YLJYHZDGSA-N	1	0	358.482	1.709	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)c1	ZINC000489217640	859466513	/nfs/dbraw/zinc/46/65/13/859466513.db2.gz	LEDGVKWRHQKTQM-UHFFFAOYSA-N	1	0	373.438	1.176	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N1CCC(Oc2ccc(C(=O)N(C)C)cn2)CC1	ZINC000912442987	859759048	/nfs/dbraw/zinc/75/90/48/859759048.db2.gz	FKTNSIWLXRJDNP-UHFFFAOYSA-N	1	0	374.485	1.661	20	30		FDEDRO
C[NH+](C)C[C@H](NC(=O)NCCNc1ccc(C#N)cn1)c1ccccc1	ZINC000916216615	881464854	/nfs/dbraw/zinc/46/48/54/881464854.db2.gz	NCEPFCNAKQQEPE-KRWDZBQOSA-N	1	0	352.442	1.967	20	30		FDEDRO
CN(CC[N@H+](C)CCO)C(=O)COc1cccc(Br)c1C#N	ZINC000912599388	859933884	/nfs/dbraw/zinc/93/38/84/859933884.db2.gz	PTHLBAMFUULRLU-UHFFFAOYSA-N	1	0	370.247	1.082	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001105787090	863177943	/nfs/dbraw/zinc/17/79/43/863177943.db2.gz	MWRXCOATOHAYID-VQIMIIECSA-N	1	0	367.424	1.809	20	30		FDEDRO
N#CCSCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCc1ccns1)C2	ZINC001111599736	863315030	/nfs/dbraw/zinc/31/50/30/863315030.db2.gz	DGYYWTKAHKMVSF-BBRMVZONSA-N	1	0	350.513	1.913	20	30		FDEDRO
CC(=O)N(C)CC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccc(F)cc2)[C@H](C)C1	ZINC001105850644	863489399	/nfs/dbraw/zinc/48/93/99/863489399.db2.gz	RVZULPGAUBDCEQ-CRAIPNDOSA-N	1	0	359.445	1.340	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]CCOCC(F)(F)F	ZINC001105850691	863489544	/nfs/dbraw/zinc/48/95/44/863489544.db2.gz	UQUGCRBFRLJULL-VXGBXAGGSA-N	1	0	353.410	1.506	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]CCOC[C@H]1CCCO1	ZINC001105848010	863492441	/nfs/dbraw/zinc/49/24/41/863492441.db2.gz	NOEXQRBGCAVSCK-BZUAXINKSA-N	1	0	355.504	1.123	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]Cc1nc(C(C)(C)C)no1	ZINC001105849035	863495986	/nfs/dbraw/zinc/49/59/86/863495986.db2.gz	BSHASCLWZAZWJQ-CHWSQXEVSA-N	1	0	365.503	1.808	20	30		FDEDRO
COc1ncc(C[NH2+]C[C@@H]2CN(C(=O)CSCC#N)C[C@H]2C)c(C)n1	ZINC001105849508	863498766	/nfs/dbraw/zinc/49/87/66/863498766.db2.gz	XRGSZSYYTVXHPH-IUODEOHRSA-N	1	0	363.487	1.235	20	30		FDEDRO
CC(=O)N(C)CC(=O)N1C[C@@H](C[NH2+]Cc2cc(C#N)ccc2F)[C@H](C)C1	ZINC001105852136	863501514	/nfs/dbraw/zinc/50/15/14/863501514.db2.gz	PYUPNVHDAQWDMM-CXAGYDPISA-N	1	0	360.433	1.360	20	30		FDEDRO
CCO[C@@H](CNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)C[NH+](C)C	ZINC000916469589	881672963	/nfs/dbraw/zinc/67/29/63/881672963.db2.gz	PBBXOEPGUKDCMV-KRWDZBQOSA-N	1	0	374.489	1.188	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)COC2CCCC2)C[C@H]1C	ZINC001105861504	863543050	/nfs/dbraw/zinc/54/30/50/863543050.db2.gz	AJGXGXMVTPJUOK-OWCLPIDISA-N	1	0	351.491	1.320	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1C	ZINC001105867169	863553320	/nfs/dbraw/zinc/55/33/20/863553320.db2.gz	CKZHJLALZIJSMK-HLLBOEOZSA-N	1	0	361.490	1.521	20	30		FDEDRO
COC(=O)NCC(=O)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2C#N)[C@H](C)C1	ZINC001105874786	863590989	/nfs/dbraw/zinc/59/09/89/863590989.db2.gz	YXYWDRGFMHMXMS-IUODEOHRSA-N	1	0	362.405	1.237	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C1	ZINC001105910401	863913983	/nfs/dbraw/zinc/91/39/83/863913983.db2.gz	SEZRFPOILCUDIG-BZUAXINKSA-N	1	0	360.520	1.086	20	30		FDEDRO
C[NH+]1CCN(C[C@@H](NC(=O)N2CCC[C@H](C#N)C2)c2ccccc2)CC1	ZINC000916522721	881711484	/nfs/dbraw/zinc/71/14/84/881711484.db2.gz	VUTZRYOQASDYIR-IEBWSBKVSA-N	1	0	355.486	1.920	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]3CCCNC3=O)C2)CCC1	ZINC001112114581	864008763	/nfs/dbraw/zinc/00/87/63/864008763.db2.gz	XFOUALGOGJLYGC-HZSPNIEDSA-N	1	0	371.403	1.438	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NC2CC2)[C@H](C)C1	ZINC001105923731	864032457	/nfs/dbraw/zinc/03/24/57/864032457.db2.gz	GHMNLFYSWQQJLW-HZSPNIEDSA-N	1	0	350.463	1.013	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(S(C)(=O)=O)o2)[C@H](C)C1	ZINC001105929340	864062969	/nfs/dbraw/zinc/06/29/69/864062969.db2.gz	LSPZOVHEBXCGTE-ZIAGYGMSSA-N	1	0	354.472	1.833	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cocn2)C[C@H]1C	ZINC001105932927	864095176	/nfs/dbraw/zinc/09/51/76/864095176.db2.gz	BSYOCFORRKFMND-BZUAXINKSA-N	1	0	362.474	1.785	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)N2CCC(C)CC2)[C@H](C)C1	ZINC001105938586	864133920	/nfs/dbraw/zinc/13/39/20/864133920.db2.gz	SRIYSVBCDCHWEP-FGTMMUONSA-N	1	0	365.518	1.520	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C)n2)C[C@H]1C	ZINC001105939775	864137000	/nfs/dbraw/zinc/13/70/00/864137000.db2.gz	ACLQPFFWTVHLEI-GDBMZVCRSA-N	1	0	361.490	1.440	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2nnc(C3CC3)s2)[C@H](C)C1	ZINC001105941905	864153845	/nfs/dbraw/zinc/15/38/45/864153845.db2.gz	PKIUOLAJMRDURN-TZMCWYRMSA-N	1	0	350.488	1.802	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccccc2C)[C@H](C)C1	ZINC001105943093	864165117	/nfs/dbraw/zinc/16/51/17/864165117.db2.gz	UZMLFEVLPFMYBI-IAGOWNOFSA-N	1	0	359.470	1.820	20	30		FDEDRO
Cc1ccccc1CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C	ZINC001105952142	864212028	/nfs/dbraw/zinc/21/20/28/864212028.db2.gz	RZUDUPAUWDTYQT-LZLYRXPVSA-N	1	0	356.470	1.455	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+][C@H]2CCN(CC)C2=O)[C@H](C)C1	ZINC001105981644	864325630	/nfs/dbraw/zinc/32/56/30/864325630.db2.gz	DBOBGSYJTQWISY-ZACQAIPSSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)(C)CC)[C@H](C)C1	ZINC001105987498	864364356	/nfs/dbraw/zinc/36/43/56/864364356.db2.gz	JCCBSCYNSCUXFY-IAGOWNOFSA-N	1	0	367.534	1.958	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C)C(=O)NC1CCCC1	ZINC001105989166	864382365	/nfs/dbraw/zinc/38/23/65/864382365.db2.gz	QQLZQXUGCXXPTM-IIAWOOMASA-N	1	0	371.485	1.631	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc[nH]c2C)C[C@H]1C	ZINC001105993362	864416301	/nfs/dbraw/zinc/41/63/01/864416301.db2.gz	JTNJNJMQPSCJPY-GDBMZVCRSA-N	1	0	359.474	1.383	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2COC(=O)C2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106009250	864611208	/nfs/dbraw/zinc/61/12/08/864611208.db2.gz	RDGYGPAXAFTVGU-BHIYHBOVSA-N	1	0	354.450	1.675	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]C[C@@H](O)c1ccccc1	ZINC001106026122	864812606	/nfs/dbraw/zinc/81/26/06/864812606.db2.gz	WYWLWPKIWWOSHW-LSBZLQRGSA-N	1	0	352.438	1.918	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)CCN1CC#Cc1ccc(F)cc1	ZINC001088861188	864822926	/nfs/dbraw/zinc/82/29/26/864822926.db2.gz	UELSGQWJPZBPIX-FDPIWHGQSA-N	1	0	371.456	1.481	20	30		FDEDRO
N#Cc1ccccc1CN1C(=O)CN(CN2CC[C@H]([NH+]3CCCC3)C2)C1=O	ZINC000170728678	864902160	/nfs/dbraw/zinc/90/21/60/864902160.db2.gz	VYEMVAVYVFEPOH-SFHVURJKSA-N	1	0	367.453	1.450	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NCCCOC)[C@H](C)C1	ZINC001106031157	864903833	/nfs/dbraw/zinc/90/38/33/864903833.db2.gz	SSDNYUAMXUKSIO-FGTMMUONSA-N	1	0	365.518	1.405	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]CCc2ccccc2F)[C@H](C)C1	ZINC001106035272	864916253	/nfs/dbraw/zinc/91/62/53/864916253.db2.gz	PXLISAYRBKSOHS-NVXWUHKLSA-N	1	0	359.445	1.192	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2)[C@H](C)C1	ZINC001106033354	864923878	/nfs/dbraw/zinc/92/38/78/864923878.db2.gz	MJXOENPWOXFMHF-BFYDXBDKSA-N	1	0	359.445	1.710	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1CN(CCOCC(F)(F)C(F)F)C[C@H]1OC	ZINC001212187431	864940552	/nfs/dbraw/zinc/94/05/52/864940552.db2.gz	SJGSRLRHUYPJEE-CHWSQXEVSA-N	1	0	368.371	1.522	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2coc(C)c2)C[C@H]1C	ZINC001106048234	864995067	/nfs/dbraw/zinc/99/50/67/864995067.db2.gz	ZOYSTEMCLKWZFE-RHSMWYFYSA-N	1	0	360.458	1.648	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)[C@H](C)C1	ZINC001106059169	865068986	/nfs/dbraw/zinc/06/89/86/865068986.db2.gz	ODVXZHAVBZCGCX-LPMFXHHGSA-N	1	0	363.506	1.613	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C12CCC[NH+]1CCC2	ZINC001077477058	865099000	/nfs/dbraw/zinc/09/90/00/865099000.db2.gz	SEPWCGRBHIPCGQ-BBWFWOEESA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CCCc2nc(C)no2)[C@H](C)C1	ZINC001106065153	865105906	/nfs/dbraw/zinc/10/59/06/865105906.db2.gz	RJMVKQIDUKZLLY-SIIHOXLZSA-N	1	0	350.463	1.322	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[N@@H+](C)C2)cc1	ZINC001004879320	881836207	/nfs/dbraw/zinc/83/62/07/881836207.db2.gz	JAJSNKKLUJYMJD-MANSERQUSA-N	1	0	351.450	1.481	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CCn2cc(Cl)cn2)[C@H](C)C1	ZINC001106065322	865111010	/nfs/dbraw/zinc/11/10/10/865111010.db2.gz	WGDXTRRARCTBHL-CPUCHLNUSA-N	1	0	354.882	1.548	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2)[C@H](C)C1	ZINC001106065696	865119039	/nfs/dbraw/zinc/11/90/39/865119039.db2.gz	DOQHSOPRXCTXEO-GUDVDZBRSA-N	1	0	358.482	1.914	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)[C@H](C)C1	ZINC001106065922	865119258	/nfs/dbraw/zinc/11/92/58/865119258.db2.gz	NNTGFPLIPYEJNG-JFIYKMOQSA-N	1	0	371.485	1.013	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc3nncn3c2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088917204	865432004	/nfs/dbraw/zinc/43/20/04/865432004.db2.gz	FMRFOXPNKHJSNK-KDOFPFPSSA-N	1	0	360.421	1.994	20	30		FDEDRO
N#Cc1ccccc1CN1C(=O)CN(CN2CC[C@H]([NH+]3CC=CC3)C2)C1=O	ZINC000172931986	865844898	/nfs/dbraw/zinc/84/48/98/865844898.db2.gz	IPYDHUFBNOBVAX-SFHVURJKSA-N	1	0	365.437	1.226	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(COC)cc2)C[C@H]1OC	ZINC001212193140	865931904	/nfs/dbraw/zinc/93/19/04/865931904.db2.gz	AOKJJQACRCGUMI-GGPKGHCWSA-N	1	0	362.470	1.476	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](CCc2cnn(C)c2)[C@@H]1C	ZINC001088989742	865944699	/nfs/dbraw/zinc/94/46/99/865944699.db2.gz	LSCOWSMRZVVSGB-QAPCUYQASA-N	1	0	367.453	1.262	20	30		FDEDRO
COc1ccc(C#N)cc1CN1CC[C@H](NC(=O)Cc2[nH]cnc2C)[C@H]1C	ZINC001089005621	866005704	/nfs/dbraw/zinc/00/57/04/866005704.db2.gz	QQMFLWWKLNZMBN-PBHICJAKSA-N	1	0	367.453	1.920	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCOc2cccc(C)c2)C[C@H]1OC	ZINC001212193712	866017008	/nfs/dbraw/zinc/01/70/08/866017008.db2.gz	JPQKYZAJYURDAX-GGPKGHCWSA-N	1	0	362.470	1.516	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3cccc(OC)c3)[C@H]2C)C1=O	ZINC001089019615	866102452	/nfs/dbraw/zinc/10/24/52/866102452.db2.gz	VTBOSNNUIPELEW-MNEFBYGVSA-N	1	0	371.481	1.604	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1OC	ZINC001212194699	866231873	/nfs/dbraw/zinc/23/18/73/866231873.db2.gz	WGKXJUGSEPCQJO-NUJGCVRESA-N	1	0	352.500	1.823	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001061615551	882069077	/nfs/dbraw/zinc/06/90/77/882069077.db2.gz	QBEKAVNMRHEFRI-BPLDGKMQSA-N	1	0	371.909	1.449	20	30		FDEDRO
CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N(C)Cc1cccc(C#N)c1	ZINC000459931715	867933175	/nfs/dbraw/zinc/93/31/75/867933175.db2.gz	AHYHCUMJWMNCDG-GOSISDBHSA-N	1	0	356.470	1.849	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(Cc3ccnc(N(C)C)c3)C[C@H]2O)cc1	ZINC001077493609	867960217	/nfs/dbraw/zinc/96/02/17/867960217.db2.gz	CSBCLAWJZGRILG-RTBURBONSA-N	1	0	364.449	1.104	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@H](OC)C3CCCC3)C[C@H]2O)cc1	ZINC001077493881	867962653	/nfs/dbraw/zinc/96/26/53/867962653.db2.gz	ORWZYCSXZDJLTA-AQNXPRMDSA-N	1	0	356.466	1.648	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001061621376	882152983	/nfs/dbraw/zinc/15/29/83/882152983.db2.gz	UMXLAQKRGJOSAW-KBAYOESNSA-N	1	0	363.502	1.439	20	30		FDEDRO
COc1ccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2C)cc1	ZINC001106100122	868073997	/nfs/dbraw/zinc/07/39/97/868073997.db2.gz	ZEMROIIXFTVOFV-IAGOWNOFSA-N	1	0	371.481	1.977	20	30		FDEDRO
C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C)C(=O)Nc1nccs1	ZINC001106101352	868095929	/nfs/dbraw/zinc/09/59/29/868095929.db2.gz	UQXYPQPQGIREQO-UMVBOHGHSA-N	1	0	360.483	1.568	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2CC[C@]3(NC(=O)[C@H]4C[C@H]4C(N)=O)CCC[C@@H]23)c1	ZINC000992175094	868155557	/nfs/dbraw/zinc/15/55/57/868155557.db2.gz	FKIYESWJCUNNPQ-AXVVYFOYSA-N	1	0	352.438	1.293	20	30		FDEDRO
CC#CCCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001061622009	882159196	/nfs/dbraw/zinc/15/91/96/882159196.db2.gz	KHJAORYWSPGTTO-FGTMMUONSA-N	1	0	363.502	1.254	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@H]1[N@H+](CC(=O)N1CCCC1)CC2	ZINC000992184775	868215148	/nfs/dbraw/zinc/21/51/48/868215148.db2.gz	XNTCJAMXHNZADW-AXVVYFOYSA-N	1	0	361.486	1.313	20	30		FDEDRO
N#Cc1cnc2ccccc2c1NCCCC[NH+]1CCN(CCO)CC1	ZINC000462836025	868216373	/nfs/dbraw/zinc/21/63/73/868216373.db2.gz	NPQZUQGLCXMTEE-UHFFFAOYSA-N	1	0	353.470	1.330	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C[NH2+]CCCO[C@@H]1CCOC1	ZINC001106110823	868382770	/nfs/dbraw/zinc/38/27/70/868382770.db2.gz	ACYCTEZXUGWERB-KZNAEPCWSA-N	1	0	350.503	1.916	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@]3(NC(=O)[C@H]4C[C@H]4C(N)=O)CCC[C@H]23)c(F)c1	ZINC000992211700	868382787	/nfs/dbraw/zinc/38/27/87/868382787.db2.gz	RWRLZEXMSWZDHV-TXDAXLQXSA-N	1	0	370.428	1.432	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)[C@H](C)C1	ZINC001106112001	868394414	/nfs/dbraw/zinc/39/44/14/868394414.db2.gz	VITNBWBJHPCVQS-RBSFLKMASA-N	1	0	361.490	1.325	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)C2CCCCC2)[C@H](C)C1	ZINC001106115217	868515877	/nfs/dbraw/zinc/51/58/77/868515877.db2.gz	RDAGTJVCLNEPLP-QRQLOZEOSA-N	1	0	350.503	1.652	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CCOCC(F)(F)F)[C@H](C)C1	ZINC001106116314	868572696	/nfs/dbraw/zinc/57/26/96/868572696.db2.gz	AEKIWBMXYHYURR-MGPQQGTHSA-N	1	0	350.381	1.288	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCOCC2CC2)C[C@H]1C	ZINC001106116590	868577564	/nfs/dbraw/zinc/57/75/64/868577564.db2.gz	HXPBTMGQUFWWIW-HLLBOEOZSA-N	1	0	351.491	1.178	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000992253706	868626511	/nfs/dbraw/zinc/62/65/11/868626511.db2.gz	WCZYADNLSXJMOU-OWDOZIACSA-N	1	0	368.437	1.550	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)CO[C@@H]2CCOC2)C[C@H]1C	ZINC001106120640	868734642	/nfs/dbraw/zinc/73/46/42/868734642.db2.gz	AABCAXQPFADTEX-MRVWCRGKSA-N	1	0	361.280	1.385	20	30		FDEDRO
C=CCCOCCCCC(=O)N1C[C@@H](C[NH2+]Cc2cn(C)nn2)[C@H](C)C1	ZINC001106122804	868879877	/nfs/dbraw/zinc/87/98/77/868879877.db2.gz	FZUJAXNPSWCBEX-IAGOWNOFSA-N	1	0	363.506	1.762	20	30		FDEDRO
C=CCCOCCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CC2)[C@H](C)C1	ZINC001106123700	868897324	/nfs/dbraw/zinc/89/73/24/868897324.db2.gz	YLZXOHAPADCHFG-IAGOWNOFSA-N	1	0	365.518	1.712	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1C	ZINC001106127897	869028781	/nfs/dbraw/zinc/02/87/81/869028781.db2.gz	WZPRPZCMLZCVON-HUUCEWRRSA-N	1	0	369.456	1.916	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCOC)C1	ZINC001112335190	869191675	/nfs/dbraw/zinc/19/16/75/869191675.db2.gz	ZBZSLDURBRYRSX-WDSOQIARSA-N	1	0	354.491	1.195	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)CC4CC4)C[C@]3(C)C2)CC1	ZINC000992494573	869785305	/nfs/dbraw/zinc/78/53/05/869785305.db2.gz	SYNNNOXSNYCWLN-GHTZIAJQSA-N	1	0	357.498	1.439	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCC#Cc1ccccc1)C2	ZINC000913984395	870223511	/nfs/dbraw/zinc/22/35/11/870223511.db2.gz	SBYSAYZQQUPBLS-BNDYYXHWSA-N	1	0	355.482	1.817	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@]4(CNC(=O)C4)C3)C2=O)cc1	ZINC000492678629	870235914	/nfs/dbraw/zinc/23/59/14/870235914.db2.gz	FHUOGOAWSILDGK-PXNSSMCTSA-N	1	0	352.438	1.656	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)NCc1cccc(C#N)c1)C2	ZINC000914051320	870480581	/nfs/dbraw/zinc/48/05/81/870480581.db2.gz	KFLSGHBHCOUCOS-FTEYMNFISA-N	1	0	356.470	1.837	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2cccc(CN3CCCC3=O)c2)CC1	ZINC000914056768	870526843	/nfs/dbraw/zinc/52/68/43/870526843.db2.gz	SGIGDEMGSZEVDB-UHFFFAOYSA-N	1	0	368.481	1.706	20	30		FDEDRO
C[C@@H](O)C[N@H+](C)C1CCN(S(=O)(=O)Cc2csc(C#N)c2)CC1	ZINC000914071816	870577920	/nfs/dbraw/zinc/57/79/20/870577920.db2.gz	BNSSUXJUGRFDOZ-GFCCVEGCSA-N	1	0	357.501	1.227	20	30		FDEDRO
COC1CC[NH+](C2(CNS(=O)(=O)CC(C)(C)C#N)CCCC2)CC1	ZINC000914078038	870640062	/nfs/dbraw/zinc/64/00/62/870640062.db2.gz	FHDJMYOVRSAQNE-UHFFFAOYSA-N	1	0	357.520	1.879	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1	ZINC001033421154	882486204	/nfs/dbraw/zinc/48/62/04/882486204.db2.gz	MHXMIHSKSVXAEB-OKZBNKHCSA-N	1	0	363.502	1.655	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CC2)[C@H](C)C1	ZINC001106146994	871402297	/nfs/dbraw/zinc/40/22/97/871402297.db2.gz	QSCZZMUYMAIMOF-DDBAPUKQSA-N	1	0	363.502	1.178	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2cn3c(n2)CCCC3)C[C@H]1C	ZINC001106153682	871466100	/nfs/dbraw/zinc/46/61/00/871466100.db2.gz	OGZPQZYDEOGVMB-IAGOWNOFSA-N	1	0	360.502	1.649	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC(C)(C)CC)C[C@H]1C	ZINC001106175698	871580360	/nfs/dbraw/zinc/58/03/60/871580360.db2.gz	QFHPPCUQFZVRJI-HUUCEWRRSA-N	1	0	366.506	1.509	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cocc2C)C3)CC1	ZINC001005155036	882551851	/nfs/dbraw/zinc/55/18/51/882551851.db2.gz	GWCRLWVRXQRJAM-QRQLOZEOSA-N	1	0	369.465	1.795	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1	ZINC000922081155	871885451	/nfs/dbraw/zinc/88/54/51/871885451.db2.gz	JBLLTQVWDJGEAT-IUODEOHRSA-N	1	0	356.879	1.623	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2cccc(C(=O)NC3CC3)c2)CC1	ZINC000914230279	871909562	/nfs/dbraw/zinc/90/95/62/871909562.db2.gz	HDPNNBCQMOQABR-UHFFFAOYSA-N	1	0	354.454	1.476	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)[C@H]4CC4(C)C)C[C@]3(C)C2)CC1	ZINC000992802406	872337559	/nfs/dbraw/zinc/33/75/59/872337559.db2.gz	MYNMDBQVRQRPRA-HMFYCAOWSA-N	1	0	371.525	1.685	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccc(S(C)(=O)=O)s2)CC1	ZINC000922142971	872426764	/nfs/dbraw/zinc/42/67/64/872426764.db2.gz	SULMEOBHUMZPHZ-UHFFFAOYSA-N	1	0	355.485	1.048	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C)cc1	ZINC000994403943	882612195	/nfs/dbraw/zinc/61/21/95/882612195.db2.gz	CQDIVYJYYIFWCP-AYOQOUSVSA-N	1	0	353.466	1.444	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@]2(C)C1	ZINC000992810683	872448384	/nfs/dbraw/zinc/44/83/84/872448384.db2.gz	YAVVDWOXLZLWPD-SXGZJXTBSA-N	1	0	369.469	1.291	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)O1	ZINC001003138852	872666746	/nfs/dbraw/zinc/66/67/46/872666746.db2.gz	MIPSCNBVRREURB-DNVCBOLYSA-N	1	0	356.470	1.358	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)[C@H](C)C1	ZINC001106184007	873066849	/nfs/dbraw/zinc/06/68/49/873066849.db2.gz	ZJYUCLIAGYKFPN-HUUCEWRRSA-N	1	0	359.536	1.164	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C[NH2+]Cc2nnc3n2CCOC3)[C@H](C)C1	ZINC001106184017	873069491	/nfs/dbraw/zinc/06/94/91/873069491.db2.gz	ZSJXQZYKTQLSTA-HUUCEWRRSA-N	1	0	361.490	1.595	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCc2c(C)nc[nH]c2=O)[C@H](OC)C1	ZINC001212509618	873108197	/nfs/dbraw/zinc/10/81/97/873108197.db2.gz	GVQQQQZUEKDECM-IAOVAPTHSA-N	1	0	362.474	1.593	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2coc(C)n2)CC1	ZINC001003363728	873218380	/nfs/dbraw/zinc/21/83/80/873218380.db2.gz	STUXKAWTNSFXPS-NUJGCVRESA-N	1	0	370.453	1.190	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@H]2CCOC2)CC1	ZINC001003363856	873218926	/nfs/dbraw/zinc/21/89/26/873218926.db2.gz	WAWQULMJOWLNAN-OWYHZJEWSA-N	1	0	373.497	1.006	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@H]2C=CCC2)CC1	ZINC001003363848	873219005	/nfs/dbraw/zinc/21/90/05/873219005.db2.gz	VUEKJWXYCGSQEL-NBYUQASBSA-N	1	0	369.509	1.936	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2(C)CC=CC2)CC1	ZINC001003366334	873245850	/nfs/dbraw/zinc/24/58/50/873245850.db2.gz	WXVVWRITZJPVKL-QRVBRYPASA-N	1	0	369.509	1.936	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1	ZINC001003396343	873329538	/nfs/dbraw/zinc/32/95/38/873329538.db2.gz	FODZHJRQTJECNH-MANSERQUSA-N	1	0	357.498	1.911	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@]3(C)C2)c1	ZINC000992951712	873368868	/nfs/dbraw/zinc/36/88/68/873368868.db2.gz	KIRNWBMWSKFIMD-GHTZIAJQSA-N	1	0	366.465	1.079	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCC)[C@H](C)C1)OCC	ZINC001106197100	873427030	/nfs/dbraw/zinc/42/70/30/873427030.db2.gz	GHWDIEQQKOXUPI-KZNAEPCWSA-N	1	0	367.534	1.958	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000922183076	873528018	/nfs/dbraw/zinc/52/80/18/873528018.db2.gz	JLKKAUNWYTVSHX-MRXNPFEDSA-N	1	0	355.442	1.053	20	30		FDEDRO
C[C@H]1CN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C[C@H](C)N1CC#N	ZINC000922203779	873712087	/nfs/dbraw/zinc/71/20/87/873712087.db2.gz	WKBBGTHXDNWEMT-YESZJQIVSA-N	1	0	351.495	1.115	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@]2(C)C1	ZINC000993039757	873836826	/nfs/dbraw/zinc/83/68/26/873836826.db2.gz	KBPJZJFFTLMDPN-LZJOCLMNSA-N	1	0	370.497	1.689	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](Cc2cccc(C(=O)NC)c2)CC1	ZINC001003652356	873925900	/nfs/dbraw/zinc/92/59/00/873925900.db2.gz	LLOYSZWZAZKGCX-MOPGFXCFSA-N	1	0	371.481	1.718	20	30		FDEDRO
C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)[C@@H]3C[C@H]3c3ccco3)CC2)C1=O	ZINC001003673509	874000780	/nfs/dbraw/zinc/00/07/80/874000780.db2.gz	HYJAKGSXNKNYLF-BRWVUGGUSA-N	1	0	357.454	1.751	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2C3CC4CC(C3)CC2C4)C[C@H]1C	ZINC001106254995	874158155	/nfs/dbraw/zinc/15/81/55/874158155.db2.gz	FHIBFRIGAHZLRP-ULKNUOJRSA-N	1	0	371.525	1.492	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(F)ccc2F)C[C@H]1C	ZINC001106255315	874166617	/nfs/dbraw/zinc/16/66/17/874166617.db2.gz	LSVXCEALPGDYJB-MGPQQGTHSA-N	1	0	363.408	1.400	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(F)ccc2F)C[C@H]1C	ZINC001106255536	874168378	/nfs/dbraw/zinc/16/83/78/874168378.db2.gz	XIFCQRYEYIVDBR-HZSPNIEDSA-N	1	0	365.424	1.953	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC[NH+]([C@@H](C)C(=O)N(C)C)CC1	ZINC001003763565	874191545	/nfs/dbraw/zinc/19/15/45/874191545.db2.gz	OKFMSCKGECXEGS-XIRDDKMYSA-N	1	0	351.491	1.415	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCc2cnn(CC)c2)[C@H](C)C1	ZINC001106266380	874260646	/nfs/dbraw/zinc/26/06/46/874260646.db2.gz	HEQLSZQTQXJQRN-RLLQIKCJSA-N	1	0	371.529	1.227	20	30		FDEDRO
Cc1[nH+]c(CN=Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])c2ccccn12	ZINC000914601331	874340744	/nfs/dbraw/zinc/34/07/44/874340744.db2.gz	NCRCCUPYXWLXIP-UHFFFAOYSA-N	1	0	374.382	1.644	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2nccc3ccsc32)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106278805	874372877	/nfs/dbraw/zinc/37/28/77/874372877.db2.gz	KYDFYYWNJZODJZ-TZMCWYRMSA-N	1	0	371.466	1.234	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)cc1	ZINC001106331116	874803479	/nfs/dbraw/zinc/80/34/79/874803479.db2.gz	NVDZRPURIKHBLU-NVXWUHKLSA-N	1	0	370.453	1.189	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cnc3ccc(OC)nn32)C[C@H]1C	ZINC001106336494	874813451	/nfs/dbraw/zinc/81/34/51/874813451.db2.gz	RBENLCRTNHIWBO-DGCLKSJQSA-N	1	0	363.849	1.788	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1C	ZINC001106357127	874893258	/nfs/dbraw/zinc/89/32/58/874893258.db2.gz	UMLKTIFVFFMAOR-KGYLQXTDSA-N	1	0	358.280	1.105	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCc2nc3ccccc3[nH]2)C[C@H]1C	ZINC001106387670	875032509	/nfs/dbraw/zinc/03/25/09/875032509.db2.gz	SZOWXWIWMBEDBH-IAGOWNOFSA-N	1	0	368.481	1.829	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C)n(CC)c2C)C[C@H]1C	ZINC001106389682	875045464	/nfs/dbraw/zinc/04/54/64/875045464.db2.gz	TYKJKBIWJZQGSG-RHSMWYFYSA-N	1	0	360.502	1.725	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCN(C(C)=O)C2)C[C@H]1C	ZINC001106394216	875077907	/nfs/dbraw/zinc/07/79/07/875077907.db2.gz	NNPLRGPBFPRYEQ-BPQIPLTHSA-N	1	0	351.491	1.132	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)C1	ZINC000923596793	875090366	/nfs/dbraw/zinc/09/03/66/875090366.db2.gz	JBLIPHOSDZXQCG-SFHVURJKSA-N	1	0	366.465	1.617	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNS(=O)(=O)Cc2csc(C#N)c2)CCCO1	ZINC000914989754	875122803	/nfs/dbraw/zinc/12/28/03/875122803.db2.gz	PIQNFTCLPRISLB-ZDUSSCGKSA-N	1	0	357.501	1.540	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)COC)C[C@H]1C	ZINC001106431087	875277238	/nfs/dbraw/zinc/27/72/38/875277238.db2.gz	PSYULDUZZQBLPP-IAGOWNOFSA-N	1	0	367.534	1.768	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(COC)CCC2)C[C@H]1C	ZINC001106440350	875308126	/nfs/dbraw/zinc/30/81/26/875308126.db2.gz	CNLMXGVAHXTLQM-BZUAXINKSA-N	1	0	351.491	1.178	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCCC2(F)F)C[C@H]1C	ZINC001106473333	875537152	/nfs/dbraw/zinc/53/71/52/875537152.db2.gz	HBHJKAZWHBKCCT-RBSFLKMASA-N	1	0	355.429	1.245	20	30		FDEDRO
CN(C)C(=O)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#Cc2ccccc2)C1	ZINC001112542651	882950486	/nfs/dbraw/zinc/95/04/86/882950486.db2.gz	KDCWNSHVGYDMSI-UGKGYDQZSA-N	1	0	367.493	1.735	20	30		FDEDRO
C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CC[C@H](C)[C@@H]3CCCC[C@H]32)c1=O	ZINC000915208726	875751671	/nfs/dbraw/zinc/75/16/71/875751671.db2.gz	GKYIDWKEAORGCM-YESZJQIVSA-N	1	0	374.485	1.402	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCc3cnn(C)c3)[C@H](C)C2)cc1	ZINC001106512825	875801386	/nfs/dbraw/zinc/80/13/86/875801386.db2.gz	TYAMKNUJIXXNLL-OXQOHEQNSA-N	1	0	350.466	1.942	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]CCCNC(=O)C(F)(F)F)[C@H](C)C1	ZINC001106526981	875844641	/nfs/dbraw/zinc/84/46/41/875844641.db2.gz	CPHWYBNCGYMYFN-CHWSQXEVSA-N	1	0	363.424	1.951	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2nccs2)[C@H](C)C1	ZINC001106527306	875846135	/nfs/dbraw/zinc/84/61/35/875846135.db2.gz	OVLFCYDIZBKGKV-CHWSQXEVSA-N	1	0	350.488	1.978	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccon2)[C@H](C)C1	ZINC001106533895	875887484	/nfs/dbraw/zinc/88/74/84/875887484.db2.gz	QHKKMWFBDPMWND-HZPDHXFCSA-N	1	0	360.458	1.881	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](F)C(C)C)C[C@H]1C	ZINC001106548562	875936161	/nfs/dbraw/zinc/93/61/61/875936161.db2.gz	FZQJFFCQYXJTEK-JFIYKMOQSA-N	1	0	353.482	1.865	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(F)(F)F)[C@H](C)C1	ZINC001106558355	875951427	/nfs/dbraw/zinc/95/14/27/875951427.db2.gz	VUCBWMKKLUZWBK-MGPQQGTHSA-N	1	0	363.424	1.951	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCOCC)[C@H](C)C1	ZINC001106564242	875964798	/nfs/dbraw/zinc/96/47/98/875964798.db2.gz	VRBBQLIYFWEREH-GVDBMIGSSA-N	1	0	353.507	1.426	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NCCC)[C@H](C)C1	ZINC001106559278	875966523	/nfs/dbraw/zinc/96/65/23/875966523.db2.gz	MQJMTOWBCZGJBV-HZPDHXFCSA-N	1	0	364.490	1.100	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(C(F)F)CCCC2)C[C@H]1C	ZINC001106575581	876007193	/nfs/dbraw/zinc/00/71/93/876007193.db2.gz	GJTKKDXGONLWOX-RBSFLKMASA-N	1	0	369.456	1.634	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NCCCOC)[C@H](C)C1	ZINC001106612895	876175073	/nfs/dbraw/zinc/17/50/73/876175073.db2.gz	RJSVBXAIRKXPQY-BRWVUGGUSA-N	1	0	353.507	1.568	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@@H]2CCCO2)[C@H](C)C1	ZINC001106609670	876179088	/nfs/dbraw/zinc/17/90/88/876179088.db2.gz	JLDAIKJEYXFMLY-ZACQAIPSSA-N	1	0	351.491	1.322	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCO[C@H](C)C2)[C@H](C)C1	ZINC001106612158	876196982	/nfs/dbraw/zinc/19/69/82/876196982.db2.gz	NOQJUMBXQRVAIQ-BRWVUGGUSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]CC(=O)NC[C@@H]3CCOC3)[C@H](C)C2)C1	ZINC001106648351	876366777	/nfs/dbraw/zinc/36/67/77/876366777.db2.gz	AXHIXHXDJWLJHP-IXDOHACOSA-N	1	0	363.502	1.180	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]CCCN3CCCC3=O)[C@H](C)C2)c1	ZINC001106650628	876389235	/nfs/dbraw/zinc/38/92/35/876389235.db2.gz	WKTQBZTWGWTMOO-VQIMIIECSA-N	1	0	368.481	1.373	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C(F)F)n[nH]2)C[C@H]1C	ZINC001106655402	876411179	/nfs/dbraw/zinc/41/11/79/876411179.db2.gz	NKLHEFVZKHXTGU-GRYCIOLGSA-N	1	0	369.416	1.336	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc[nH]c2C2CCC2)C[C@H]1C	ZINC001106662888	876438852	/nfs/dbraw/zinc/43/88/52/876438852.db2.gz	IOWDRZTZAIMYLS-HLLBOEOZSA-N	1	0	370.497	1.718	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccn(C)c2CC)C[C@H]1C	ZINC001106666300	876475540	/nfs/dbraw/zinc/47/55/40/876475540.db2.gz	JOQFRVUQXCOMRB-OWCLPIDISA-N	1	0	358.486	1.023	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccn(C)c2CC)C[C@H]1C	ZINC001106665805	876475685	/nfs/dbraw/zinc/47/56/85/876475685.db2.gz	BVINUPJLHZSDAX-OWCLPIDISA-N	1	0	360.502	1.576	20	30		FDEDRO
C[C@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)CC(C)(C)C	ZINC001106695986	876593986	/nfs/dbraw/zinc/59/39/86/876593986.db2.gz	SCCOSIZOQVWNKZ-BZUAXINKSA-N	1	0	350.507	1.773	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc3cc[nH]c3c2)C[C@H]1C	ZINC001106703710	876673301	/nfs/dbraw/zinc/67/33/01/876673301.db2.gz	VKMRRLVPYUUZJN-RVKKMQEKSA-N	1	0	366.465	1.604	20	30		FDEDRO
Cc1ccc([C@@](O)(CC(=O)NC2(C#N)CC[NH+](C)CC2)C(F)(F)F)o1	ZINC000917126238	883068701	/nfs/dbraw/zinc/06/87/01/883068701.db2.gz	RWZMUNVYABVDSN-HNNXBMFYSA-N	1	0	359.348	1.832	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NCC)[C@H](C)C1	ZINC001106708593	876917007	/nfs/dbraw/zinc/91/70/07/876917007.db2.gz	ANBUMEWMYZUYBP-RBSFLKMASA-N	1	0	366.506	1.507	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc3n2CCOC3)[C@H](C)C1	ZINC001106708843	876917777	/nfs/dbraw/zinc/91/77/77/876917777.db2.gz	MAAWFFVENSRKLN-HUUCEWRRSA-N	1	0	361.490	1.595	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2cccs2)C[C@H]1C	ZINC001106715261	876928221	/nfs/dbraw/zinc/92/82/21/876928221.db2.gz	DCHPKDBTEGNKKE-ARFHVFGLSA-N	1	0	363.527	1.913	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1C#N	ZINC000272291841	876931847	/nfs/dbraw/zinc/93/18/47/876931847.db2.gz	FIDRNWKCWDSBIE-RHSMWYFYSA-N	1	0	370.453	1.837	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(OCC)c(C)c2)C[C@H]1C	ZINC001106718810	876949150	/nfs/dbraw/zinc/94/91/50/876949150.db2.gz	WYUNIUUDCOXGPZ-SJLPKXTDSA-N	1	0	371.481	1.441	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C(=O)N2CCC(C)CC2)C[C@H]1C	ZINC001106737975	877340530	/nfs/dbraw/zinc/34/05/30/877340530.db2.gz	XAQACUQEUGAJPU-IAGOWNOFSA-N	1	0	351.491	1.132	20	30		FDEDRO
CC[C@@H](C)c1cc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)on1	ZINC001106741846	877401298	/nfs/dbraw/zinc/40/12/98/877401298.db2.gz	PNSPDMJRJGDXCG-MGPQQGTHSA-N	1	0	361.446	1.126	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cccc3c2NC(=O)CO3)[C@H](OC)C1	ZINC001212416771	912235906	/nfs/dbraw/zinc/23/59/06/912235906.db2.gz	ROXOUALMOGNNMM-GDBMZVCRSA-N	1	0	359.426	1.413	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)COC3)C[C@H]1C	ZINC001106756231	877574146	/nfs/dbraw/zinc/57/41/46/877574146.db2.gz	PNUZWJGEOQAXOB-SPYBWZPUSA-N	1	0	371.481	1.705	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(OC)c(C)c2)C[C@H]1C	ZINC001106763875	877622505	/nfs/dbraw/zinc/62/25/05/877622505.db2.gz	WUCXXMDJSCXINO-JFIYKMOQSA-N	1	0	371.481	1.439	20	30		FDEDRO
CN(CCCC[NH+]1CCCCC1)C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000922329033	877649382	/nfs/dbraw/zinc/64/93/82/877649382.db2.gz	PPXSODRQXQFDDK-HNENSFHCSA-N	1	0	362.474	1.627	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)c2ccc(CC)cc2)C[C@H]1C	ZINC001106767890	877651489	/nfs/dbraw/zinc/65/14/89/877651489.db2.gz	YOWGPPXHFAKQGP-FUHIMQAGSA-N	1	0	369.509	1.786	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@@]3(C)C2)CC1	ZINC000993374746	877654386	/nfs/dbraw/zinc/65/43/86/877654386.db2.gz	NEJNWVXFFRZZIY-LVCYWYKZSA-N	1	0	359.514	1.991	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3c2ccn3C)C[C@H]1C	ZINC001106768901	877694127	/nfs/dbraw/zinc/69/41/27/877694127.db2.gz	ALRVERZCECWXOZ-HZPDHXFCSA-N	1	0	366.465	1.225	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C[NH2+]CC#Cc1ccccc1Cl	ZINC001106778286	877786892	/nfs/dbraw/zinc/78/68/92/877786892.db2.gz	CKRGMZRKDQNYHN-UKRRQHHQSA-N	1	0	357.845	1.808	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cn(C[C@H]3CCOC3)nn2)C[C@H]1C	ZINC001106815662	878255776	/nfs/dbraw/zinc/25/57/76/878255776.db2.gz	MIILBKNFMWQEAR-BPLDGKMQSA-N	1	0	367.881	1.365	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)CCOC)C[C@H]1C	ZINC001106825561	878642870	/nfs/dbraw/zinc/64/28/70/878642870.db2.gz	XUMVQOLETSGMMZ-OWCLPIDISA-N	1	0	353.507	1.424	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2OC)CC1	ZINC000946585191	878667091	/nfs/dbraw/zinc/66/70/91/878667091.db2.gz	OEYQSLIRBYTYKY-KURKYZTESA-N	1	0	365.518	1.661	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnc4cc(C)nn4c3C)[C@H]2C1	ZINC001083157545	912385829	/nfs/dbraw/zinc/38/58/29/912385829.db2.gz	BZYWCJGELXCZTO-ZWKOTPCHSA-N	1	0	369.469	1.838	20	30		FDEDRO
C=CCCC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CC2	ZINC001128053966	912398191	/nfs/dbraw/zinc/39/81/91/912398191.db2.gz	ITLLXVIHLWHCPN-VQHPVUNQSA-N	1	0	373.501	1.723	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3ccncc32)C[C@H]1C	ZINC001106827350	878921133	/nfs/dbraw/zinc/92/11/33/878921133.db2.gz	SMDZSHYBFKAWGR-NVXWUHKLSA-N	1	0	366.465	1.835	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]2CC1	ZINC000946595441	879066654	/nfs/dbraw/zinc/06/66/54/879066654.db2.gz	ZNBZGPNZKGSUFG-WKULXVSPSA-N	1	0	361.486	1.027	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C3)cc1	ZINC001004359338	879224650	/nfs/dbraw/zinc/22/46/50/879224650.db2.gz	HKLJDHQCBYSWFM-AFYVEPGGSA-N	1	0	365.477	1.871	20	30		FDEDRO
Cc1onc(CC(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1C#N	ZINC000428979277	879235557	/nfs/dbraw/zinc/23/55/57/879235557.db2.gz	QRKMZXCQLJVFGV-FQEVSTJZSA-N	1	0	368.437	1.493	20	30		FDEDRO
C=CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C[NH+](CC)CC)C1	ZINC000282386789	879393146	/nfs/dbraw/zinc/39/31/46/879393146.db2.gz	VMGFRQYPNOHQCD-MRXNPFEDSA-N	1	0	360.506	1.868	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCCN(C(C)(C)C)C3=O)[C@H]2C1	ZINC001083171399	912453324	/nfs/dbraw/zinc/45/33/24/912453324.db2.gz	AUCVFRWGWIQJMT-IXDOHACOSA-N	1	0	363.502	1.511	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3CC(C)C)C2)CC1	ZINC001004543656	879834616	/nfs/dbraw/zinc/83/46/16/879834616.db2.gz	KKBMCAOCSIHHKE-RTBURBONSA-N	1	0	359.514	1.588	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)[C@H](C)C1	ZINC000993836784	879846726	/nfs/dbraw/zinc/84/67/26/879846726.db2.gz	GPRYTPBRKSCZDT-NSISKUIASA-N	1	0	367.493	1.515	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3ccccc3C)C[C@@H]2O)nn1	ZINC001083843598	879961617	/nfs/dbraw/zinc/96/16/17/879961617.db2.gz	PGMVZYGSOOKXFO-LESCRADOSA-N	1	0	355.442	1.309	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)ccc3C)C[C@@H]2O)nn1	ZINC001083843624	879961711	/nfs/dbraw/zinc/96/17/11/879961711.db2.gz	RDJQMAHJQGBUCM-AEFFLSMTSA-N	1	0	355.442	1.056	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3cccc(C)c3)C[C@@H]2O)nn1	ZINC001083843543	879961764	/nfs/dbraw/zinc/96/17/64/879961764.db2.gz	MRCXSOIZYROHNX-LESCRADOSA-N	1	0	355.442	1.309	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)C[C@H]1C	ZINC001106834925	880029413	/nfs/dbraw/zinc/02/94/13/880029413.db2.gz	YCDWCBURJPEAIU-RBSFLKMASA-N	1	0	364.490	1.356	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC000993908525	880114395	/nfs/dbraw/zinc/11/43/95/880114395.db2.gz	PGWCEBPJWMJLQC-QLFBSQMISA-N	1	0	357.458	1.052	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)c3cc[nH]c3C)C[C@H]2C)CC1	ZINC000994135752	880892903	/nfs/dbraw/zinc/89/29/03/880892903.db2.gz	KYKYTYUADHJLDV-CRAIPNDOSA-N	1	0	370.497	1.493	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)C(C)(C)C=C)C[C@H]2C)CC1	ZINC000994136728	880896601	/nfs/dbraw/zinc/89/66/01/880896601.db2.gz	OPEWWWFGCUIMBI-SJLPKXTDSA-N	1	0	359.514	1.755	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)[C@H](C)C(C)C)C[C@H]2C)CC1	ZINC000994139850	880908181	/nfs/dbraw/zinc/90/81/81/880908181.db2.gz	OBQQKOHNHRZHFW-ZHALLVOQSA-N	1	0	361.530	1.834	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C[NH2+][C@H](CC)C(N)=O)[C@H](C)C1	ZINC001106858678	881140459	/nfs/dbraw/zinc/14/04/59/881140459.db2.gz	PZMUNKREBGIAQG-RBSFLKMASA-N	1	0	360.458	1.208	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]Cc3ccc(N4CCOCC4)c(F)c3)cnc12	ZINC000917140179	883124492	/nfs/dbraw/zinc/12/44/92/883124492.db2.gz	MOKZHWBELYTWFF-UHFFFAOYSA-N	1	0	366.400	1.866	20	30		FDEDRO
C#CC[C@@H](CO)NC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1	ZINC000917233318	883250477	/nfs/dbraw/zinc/25/04/77/883250477.db2.gz	DGLLKXSTBKAEAT-INIZCTEOSA-N	1	0	362.449	1.151	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](CCCc2nc(C)no2)C1	ZINC001033954423	883579033	/nfs/dbraw/zinc/57/90/33/883579033.db2.gz	OQGQAAJMZGLWBL-ZACQAIPSSA-N	1	0	362.474	1.825	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)C[C@@H]1n1ccnn1	ZINC001128812025	883702245	/nfs/dbraw/zinc/70/22/45/883702245.db2.gz	NBIYBDRWONOQEL-ZNMIVQPWSA-N	1	0	369.416	1.258	20	30		FDEDRO
C#CCNC(=O)c1cccc(-c2noc([C@H]3C[N@@H+]4CCC[C@H]4CO3)n2)c1	ZINC000923863947	883786867	/nfs/dbraw/zinc/78/68/67/883786867.db2.gz	KPSMRGNBVKNBPB-JKSUJKDBSA-N	1	0	352.394	1.635	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC2CCOCC2)[C@@H](n2ccnn2)C1	ZINC001128838603	883814942	/nfs/dbraw/zinc/81/49/42/883814942.db2.gz	KLQHZAZPWPMFKY-NXHRZFHOSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cccc(C(=O)NC)c2)C1	ZINC000999432182	912761359	/nfs/dbraw/zinc/76/13/59/912761359.db2.gz	UUMYQFWDUZCQHZ-GMNCBBECSA-N	1	0	371.481	1.716	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC001034255955	884004063	/nfs/dbraw/zinc/00/40/63/884004063.db2.gz	HKGVVEFICNAUPU-SNRMKQJTSA-N	1	0	357.454	1.833	20	30		FDEDRO
C[C@H](CNc1nccnc1C#N)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1	ZINC001108123642	884081778	/nfs/dbraw/zinc/08/17/78/884081778.db2.gz	LQYJWTBBFIBULT-OIISXLGYSA-N	1	0	364.453	1.610	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@@H]1n1ccnn1	ZINC001128938932	884151776	/nfs/dbraw/zinc/15/17/76/884151776.db2.gz	DHRFPKPVKPYFLZ-KURKYZTESA-N	1	0	359.474	1.382	20	30		FDEDRO
CN(C)c1ccc(C(N)=[NH+]OCC(=O)Nc2ccc3c(c2)OCO3)cc1	ZINC000918185235	884203524	/nfs/dbraw/zinc/20/35/24/884203524.db2.gz	FWIAVLVNYGALNQ-UHFFFAOYSA-N	1	0	356.382	1.757	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H](OC)C2CC2)[C@@H](n2ccnn2)C1	ZINC001128945389	884251357	/nfs/dbraw/zinc/25/13/57/884251357.db2.gz	XJFVYJSZRQBPQP-FGTMMUONSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1	ZINC001034398861	884295016	/nfs/dbraw/zinc/29/50/16/884295016.db2.gz	PQGQDDVALRJGKI-BBWFWOEESA-N	1	0	351.491	1.559	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2C)c1	ZINC000994566446	884305443	/nfs/dbraw/zinc/30/54/43/884305443.db2.gz	KIUZZGPYVIMRCU-ATZDWAIDSA-N	1	0	370.497	1.473	20	30		FDEDRO
C[NH+]1C[C@]2(C)CN(S(=O)(=O)Cc3cc(C#N)ccc3F)C[C@@]2(C)C1	ZINC000918359926	884366237	/nfs/dbraw/zinc/36/62/37/884366237.db2.gz	NCNDTNKGNHUGMY-IAGOWNOFSA-N	1	0	351.447	1.801	20	30		FDEDRO
C=CCOCCC[NH2+][C@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000658210850	884379980	/nfs/dbraw/zinc/37/99/80/884379980.db2.gz	XGFRWBCKAZWPTL-MRXNPFEDSA-N	1	0	368.499	1.951	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(c3snc(C)c3C#N)C2)CC[N@@H+]1C	ZINC001061757943	884461133	/nfs/dbraw/zinc/46/11/33/884461133.db2.gz	SLKPCRLWSZVISA-OFQRWUPVSA-N	1	0	361.515	1.996	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(CC[NH2+][C@@H]2CCCNC2=O)CC1	ZINC001034568496	884506384	/nfs/dbraw/zinc/50/63/84/884506384.db2.gz	CQBPPEFCNCPGDA-KURKYZTESA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CCC2CCN(C(=O)[C@H]3OCC[C@H]3C)CC2)C1=O	ZINC001034568870	884507993	/nfs/dbraw/zinc/50/79/93/884507993.db2.gz	NGEDSILNECXTNE-NXHRZFHOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@@H]1n1ccnn1	ZINC001128979839	884562892	/nfs/dbraw/zinc/56/28/92/884562892.db2.gz	BVXOEOIRKTUKJG-NXHRZFHOSA-N	1	0	357.458	1.158	20	30		FDEDRO
CC(C)(C)C#CC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1n1ccnn1	ZINC001128980254	884570820	/nfs/dbraw/zinc/57/08/20/884570820.db2.gz	UUSOCIGRHDCNPH-BBWFWOEESA-N	1	0	359.474	1.096	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(F)c1	ZINC001034643808	884605727	/nfs/dbraw/zinc/60/57/27/884605727.db2.gz	TUGKHZKJAMEBON-KCYZZUKISA-N	1	0	360.389	1.880	20	30		FDEDRO
COc1ccc(C(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@@H]2O)cc1C	ZINC001083862783	884704819	/nfs/dbraw/zinc/70/48/19/884704819.db2.gz	VITKURGXVSGOHZ-MOPGFXCFSA-N	1	0	365.433	1.850	20	30		FDEDRO
COc1ccc(CNC(=O)c2cccc(N3CC[NH+](C)CC3)n2)cc1C#N	ZINC000918737296	884895164	/nfs/dbraw/zinc/89/51/64/884895164.db2.gz	HTTZRICVLKCVHL-UHFFFAOYSA-N	1	0	365.437	1.644	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2ccncc2C)[C@@H](n2ccnn2)C1	ZINC001129003388	884989425	/nfs/dbraw/zinc/98/94/25/884989425.db2.gz	CLBULORIOHTJSY-UHOSZYNNSA-N	1	0	368.485	1.920	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)Cn2ccc(C)n2)[C@@H](n2ccnn2)C1	ZINC001129009738	885053309	/nfs/dbraw/zinc/05/33/09/885053309.db2.gz	NTPXCOWBUFNEKW-OIISXLGYSA-N	1	0	357.462	1.037	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[C@H]2OCCc3ccsc32)[C@@H](O)C1	ZINC001083967469	912909140	/nfs/dbraw/zinc/90/91/40/912909140.db2.gz	JCUPJBOKEPXBOD-OWCLPIDISA-N	1	0	350.484	1.880	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CCC2CCCC2)C[C@@H]1O	ZINC001083967781	912910399	/nfs/dbraw/zinc/91/03/99/912910399.db2.gz	XYWIWBVSVAIPGS-MSOLQXFVSA-N	1	0	357.454	1.449	20	30		FDEDRO
CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C[C@H]1C	ZINC000498548539	885238558	/nfs/dbraw/zinc/23/85/58/885238558.db2.gz	AMPUODJSOGRYDQ-KGLIPLIRSA-N	1	0	352.442	1.881	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1CN(Cc2c(C)noc2C)C[C@@H]1n1ccnn1	ZINC001129026052	885288347	/nfs/dbraw/zinc/28/83/47/885288347.db2.gz	XUWAPBSCIUOOED-SJORKVTESA-N	1	0	358.446	1.781	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@@H]1n1ccnn1	ZINC001129029942	885345640	/nfs/dbraw/zinc/34/56/40/885345640.db2.gz	QIZLXWRPIXVVRQ-KURKYZTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCCOCC)C[C@@H]2n2ccnn2)CCC1	ZINC001129049223	885537951	/nfs/dbraw/zinc/53/79/51/885537951.db2.gz	SMDRQCKWTSEARW-SJORKVTESA-N	1	0	359.474	1.240	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc2n(n1)CCCC2	ZINC001035057557	885570532	/nfs/dbraw/zinc/57/05/32/885570532.db2.gz	SIBMKCQABPHGOZ-QRVBRYPASA-N	1	0	358.486	1.891	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cncc(OC)n1	ZINC001035076757	885574805	/nfs/dbraw/zinc/57/48/05/885574805.db2.gz	NGACNQBUGZETOW-RYRKJORJSA-N	1	0	360.458	1.547	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2CC)[C@@H](n2ccnn2)C1	ZINC001129064518	885627115	/nfs/dbraw/zinc/62/71/15/885627115.db2.gz	IVEXOUDENLAXKF-OLMNPRSZSA-N	1	0	371.489	1.584	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2C=CCCC2)[C@@H](n2ccnn2)C1	ZINC001129064420	885650813	/nfs/dbraw/zinc/65/08/13/885650813.db2.gz	DDUZZBCRARHMKM-KURKYZTESA-N	1	0	359.474	1.569	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2cncnc2)[C@@H](n2ccnn2)C1	ZINC001129103072	885698338	/nfs/dbraw/zinc/69/83/38/885698338.db2.gz	CRPFWPDDIJVLGT-JQHSSLGASA-N	1	0	369.473	1.397	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3cncn3C2)[C@@H](n2ccnn2)C1	ZINC001129084342	885710521	/nfs/dbraw/zinc/71/05/21/885710521.db2.gz	IAXOFCLJLGLFFB-JQHSSLGASA-N	1	0	369.473	1.045	20	30		FDEDRO
CO[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@H]1NC(=O)C#CC(C)C	ZINC001212240734	885731337	/nfs/dbraw/zinc/73/13/37/885731337.db2.gz	CBCFFSJTSPGNAX-WOJBJXKFSA-N	1	0	356.466	1.734	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)[C@@H](n2ccnn2)C1	ZINC001129113785	885757973	/nfs/dbraw/zinc/75/79/73/885757973.db2.gz	SWDBTLBIISMQPJ-FJIDUMEYSA-N	1	0	359.474	1.258	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@@H](n2ccnn2)C1	ZINC001129119270	885791700	/nfs/dbraw/zinc/79/17/00/885791700.db2.gz	ZTCHMYLSNIDNHL-AXSMETJDSA-N	1	0	357.458	1.009	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)CCOCCNc2ccc(C#N)nc2)CC[N@@H+]1C	ZINC001127499973	885811257	/nfs/dbraw/zinc/81/12/57/885811257.db2.gz	JMZOIUIHHKXYEO-ZWKOTPCHSA-N	1	0	359.474	1.570	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCCN3CCCC3=O)[C@H](C)C2)cn1	ZINC001106895023	885818718	/nfs/dbraw/zinc/81/87/18/885818718.db2.gz	BSKOMEZSGJBUIU-SJLPKXTDSA-N	1	0	368.481	1.373	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001129159357	885890457	/nfs/dbraw/zinc/89/04/57/885890457.db2.gz	HBSFJJPURXPRMX-FGTMMUONSA-N	1	0	369.469	1.565	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(Cc3cccc(C#N)c3)CCO2)CC[N@@H+]1C	ZINC001035373479	885941083	/nfs/dbraw/zinc/94/10/83/885941083.db2.gz	VCDOGYFELDESAA-ATZDWAIDSA-N	1	0	356.470	1.215	20	30		FDEDRO
C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CN(c3ccccn3)C[C@H]1C)CC2	ZINC001035708091	886343284	/nfs/dbraw/zinc/34/32/84/886343284.db2.gz	BJEXQLGKVPRDCY-QZTJIDSGSA-N	1	0	352.482	1.712	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CN(Cc3ccccc3C#N)C[C@H]2O)C1	ZINC001077553268	886382490	/nfs/dbraw/zinc/38/24/90/886382490.db2.gz	IOFFSAJXNUONEU-XUVXKRRUSA-N	1	0	370.497	1.342	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)[C@H](C)C2)nc1	ZINC001106898200	886386390	/nfs/dbraw/zinc/38/63/90/886386390.db2.gz	XVCJCTBJCWEGAB-GDBMZVCRSA-N	1	0	356.470	1.275	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1NC(=O)C#CC(C)(C)C	ZINC001212248639	886778674	/nfs/dbraw/zinc/77/86/74/886778674.db2.gz	KQUXJEXUWXJDTJ-ZIAGYGMSSA-N	1	0	364.408	1.820	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ccccc1C#N)C2	ZINC000920282270	886820916	/nfs/dbraw/zinc/82/09/16/886820916.db2.gz	MBKMUBAZDNIFLU-AHCXZYCDSA-N	1	0	363.483	1.316	20	30		FDEDRO
CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)CC(C)(C)CC#N)C2)[C@@H]1C(C)C	ZINC000920302414	886841231	/nfs/dbraw/zinc/84/12/31/886841231.db2.gz	IPIWJJCQWGUQQF-CBZIJGRNSA-N	1	0	371.547	1.715	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)C2(CF)CCOCC2)[C@@H](n2ccnn2)C1	ZINC001129266376	887045282	/nfs/dbraw/zinc/04/52/82/887045282.db2.gz	JRTUFTDRRYQELH-CVEARBPZSA-N	1	0	365.453	1.352	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1	ZINC001062354214	887073277	/nfs/dbraw/zinc/07/32/77/887073277.db2.gz	WWQMCKYSFNZUIN-ZACQAIPSSA-N	1	0	363.502	1.559	20	30		FDEDRO
CO[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@H]1NC(=O)C#CC1CC1	ZINC001212250824	887208802	/nfs/dbraw/zinc/20/88/02/887208802.db2.gz	IKDASXHTOGAHPP-WOJBJXKFSA-N	1	0	354.450	1.488	20	30		FDEDRO
C#CCN(C(=O)NCc1cn(-c2ccccc2)nn1)C1CC[NH+](C)CC1	ZINC000921394076	887872544	/nfs/dbraw/zinc/87/25/44/887872544.db2.gz	ACBDQYBWTMCYAP-UHFFFAOYSA-N	1	0	352.442	1.506	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CCN(C(=O)C2CC2)C[C@H]1C)C1CC[NH+](C)CC1	ZINC000921423219	887934112	/nfs/dbraw/zinc/93/41/12/887934112.db2.gz	MRQDUHWBMVUVMF-QAPCUYQASA-N	1	0	360.502	1.372	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](CC[NH+](C)C)c1cccnc1	ZINC000921480618	888054056	/nfs/dbraw/zinc/05/40/56/888054056.db2.gz	OFEGICKHJKKPPI-INIZCTEOSA-N	1	0	374.466	1.933	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1OC	ZINC001212257657	888070105	/nfs/dbraw/zinc/07/01/05/888070105.db2.gz	HERUPHVZBAMIRX-USXIJHARSA-N	1	0	350.484	1.534	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](CC)[NH+](C)C)c1	ZINC001005970882	888293194	/nfs/dbraw/zinc/29/31/94/888293194.db2.gz	AETHWIALUFVPIN-BDXSIMOUSA-N	1	0	354.454	1.265	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2([NH+](C)C)CCC2)c1	ZINC001005970931	888295092	/nfs/dbraw/zinc/29/50/92/888295092.db2.gz	BJLKBLSOTAOBSJ-KURKYZTESA-N	1	0	366.465	1.409	20	30		FDEDRO
Cc1cc(NC(=O)NCC2CC[NH+](C)CC2)nn1-c1cccc(C#N)c1	ZINC000364536353	888358614	/nfs/dbraw/zinc/35/86/14/888358614.db2.gz	ZTADMPVKNXMVTF-UHFFFAOYSA-N	1	0	352.442	2.516	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCc2ccccn2)C[C@H]1C	ZINC001106904006	888381814	/nfs/dbraw/zinc/38/18/14/888381814.db2.gz	VYESEOGSUVDCFR-FGTMMUONSA-N	1	0	370.497	1.226	20	30		FDEDRO
CC[NH+](CC)[C@H]1CCN(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1	ZINC000462091976	888480487	/nfs/dbraw/zinc/48/04/87/888480487.db2.gz	OBKNTBHPWSDJRH-INIZCTEOSA-N	1	0	367.457	2.395	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)CN1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1	ZINC000923380986	889059227	/nfs/dbraw/zinc/05/92/27/889059227.db2.gz	YTUSDHVILADYKC-GBESFXJTSA-N	1	0	355.413	1.864	20	30		FDEDRO
CC1(C)CC[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)[N@H+](Cc2ccc(C#N)cc2)C1	ZINC001089698114	889162446	/nfs/dbraw/zinc/16/24/46/889162446.db2.gz	XMAXLWKKLJPYAA-KSZLIROESA-N	1	0	368.481	1.786	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)N2CCCCC2=O)[C@H](OC)C1	ZINC001212279839	889278358	/nfs/dbraw/zinc/27/83/58/889278358.db2.gz	WTKQWGLEPZGYKD-GVDBMIGSSA-N	1	0	351.491	1.559	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1	ZINC000946902033	889283014	/nfs/dbraw/zinc/28/30/14/889283014.db2.gz	IFDOLLOJLHVDEH-SJORKVTESA-N	1	0	361.486	1.171	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N[C@@H]1C[C@@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O	ZINC000923488987	889464212	/nfs/dbraw/zinc/46/42/12/889464212.db2.gz	VPSWGKWSNJEMIW-VBEQINLCSA-N	1	0	365.518	1.584	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)COc2c(C)nn(C)c2C)[C@H](OC)C1	ZINC001212291072	889780580	/nfs/dbraw/zinc/78/05/80/889780580.db2.gz	AAPDVLCZQKXUHD-KBRIMQKVSA-N	1	0	364.490	1.586	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H](C)C1CN(C(=O)C[NH+]2CCCC2)C1	ZINC001006149390	889823051	/nfs/dbraw/zinc/82/30/51/889823051.db2.gz	USYQWMQVLATJHB-AYBZRNKSSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H](NC(=O)C=CC(=O)Nc2ccc3n[nH]cc3c2)C1	ZINC000923564578	889854401	/nfs/dbraw/zinc/85/44/01/889854401.db2.gz	ACFQTXVHEPUUES-WAVCKPEOSA-N	1	0	351.410	1.271	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccnn1C(C)C	ZINC001127612706	889901779	/nfs/dbraw/zinc/90/17/79/889901779.db2.gz	AOQUQUXPPLJNJZ-CABCVRRESA-N	1	0	363.462	1.090	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1CN(C(=O)Cc2[nH]cnc2C)C1	ZINC001006167725	889948387	/nfs/dbraw/zinc/94/83/87/889948387.db2.gz	WPOZQPKCVAWJEH-QITLCBANSA-N	1	0	360.458	1.205	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1n1ccnn1	ZINC001129284670	890034537	/nfs/dbraw/zinc/03/45/37/890034537.db2.gz	USVLXNRRRWWCHS-BBWFWOEESA-N	1	0	361.490	1.791	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)NC(=O)CC(F)(F)F)[C@H](OC)C1	ZINC001212315916	890068634	/nfs/dbraw/zinc/06/86/34/890068634.db2.gz	AOUQBBVHIHZEGI-JHJVBQTASA-N	1	0	365.396	1.225	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1OC	ZINC001212321160	890112853	/nfs/dbraw/zinc/11/28/53/890112853.db2.gz	UPRVIHMNEQVZTG-CGTJXYLNSA-N	1	0	363.502	1.487	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CCN(c3nc(C)cc(C#N)n3)C2)CC[N@@H+]1C	ZINC001063145901	890240021	/nfs/dbraw/zinc/24/00/21/890240021.db2.gz	FIZGDTYCTQBXPN-OKZBNKHCSA-N	1	0	370.501	1.814	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1(NC(=O)CC[N@@H+](C)CC)CCC1	ZINC001063188452	890274280	/nfs/dbraw/zinc/27/42/80/890274280.db2.gz	CJPMYYALEILHIA-WMZOPIPTSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1(NC(=O)CCC[NH+](C)C)CCC1	ZINC001063189398	890274508	/nfs/dbraw/zinc/27/45/08/890274508.db2.gz	YUQNKRFVNZRCRQ-WMZOPIPTSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001006179468	890513169	/nfs/dbraw/zinc/51/31/69/890513169.db2.gz	DGFLPQVZCLFRQN-BFYDXBDKSA-N	1	0	358.486	1.591	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCc2ccc(CNc3ccncc3C#N)cc2)CC[N@@H+]1C	ZINC001063424509	890534357	/nfs/dbraw/zinc/53/43/57/890534357.db2.gz	GMFKENWLPYYDIF-DNVCBOLYSA-N	1	0	363.465	1.944	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1	ZINC000939705179	891080572	/nfs/dbraw/zinc/08/05/72/891080572.db2.gz	PEUYZQPIUZKWQH-BBWFWOEESA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1	ZINC000939762839	891214748	/nfs/dbraw/zinc/21/47/48/891214748.db2.gz	XBSIFOGOWKNRRP-BBWFWOEESA-N	1	0	363.502	1.369	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@H]2C)c1	ZINC000940011167	891627352	/nfs/dbraw/zinc/62/73/52/891627352.db2.gz	QNZIBYDDUVJTEV-RVKKMQEKSA-N	1	0	354.454	1.124	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(C#N)[nH]2)C3)C1	ZINC001002086415	891908633	/nfs/dbraw/zinc/90/86/33/891908633.db2.gz	VBQOIFFUPZEACI-JFOHDYCDSA-N	1	0	355.442	1.090	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc3c[nH+]cn3c2)[nH]1	ZINC001002090545	891914256	/nfs/dbraw/zinc/91/42/56/891914256.db2.gz	NRQVMIHAKUNHPY-OLMNPRSZSA-N	1	0	374.404	1.710	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](NC(=O)c2cc(C3CC3)nn2CC)[C@H](OC)C1	ZINC001212444181	891931441	/nfs/dbraw/zinc/93/14/41/891931441.db2.gz	HUIVYXDRAFZZAA-SJLPKXTDSA-N	1	0	362.474	1.412	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1	ZINC001002149727	891993475	/nfs/dbraw/zinc/99/34/75/891993475.db2.gz	BLBGZWXPYIENLZ-IEZWGBDMSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1cccc(-n2cc(C[NH2+]C(C)C)nn2)c1	ZINC001089972565	892004207	/nfs/dbraw/zinc/00/42/07/892004207.db2.gz	FEIMOQKGBRRXAM-MOPGFXCFSA-N	1	0	369.469	1.973	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)nc1	ZINC000940288239	892161992	/nfs/dbraw/zinc/16/19/92/892161992.db2.gz	QAVIHXCICXBOLL-RVKKMQEKSA-N	1	0	354.454	1.124	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc(N(C)C)c2)C[C@H]1C	ZINC001106917086	892176737	/nfs/dbraw/zinc/17/67/37/892176737.db2.gz	WAPAPMSJTLJGJR-JFIYKMOQSA-N	1	0	370.497	1.188	20	30		FDEDRO
C=C[C@H](C(=O)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1ccccc1	ZINC001002247135	892325819	/nfs/dbraw/zinc/32/58/19/892325819.db2.gz	YTIVHAVCPSHFAL-AYOQOUSVSA-N	1	0	355.482	1.871	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COCCCCCC)C[C@H]1C	ZINC001106923295	892609002	/nfs/dbraw/zinc/60/90/02/892609002.db2.gz	MUPHFQPZBOHGEX-IAGOWNOFSA-N	1	0	353.507	1.570	20	30		FDEDRO
N#CCc1ccc(CS(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)cc1	ZINC000921910367	892741966	/nfs/dbraw/zinc/74/19/66/892741966.db2.gz	BIWYYPVVNCEUCR-SFHVURJKSA-N	1	0	363.483	1.425	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](OC)C2CCCC2)C[C@H]1C	ZINC001106927145	892925261	/nfs/dbraw/zinc/92/52/61/892925261.db2.gz	AJJJMAQAFDPHIB-QGPMSJSTSA-N	1	0	351.491	1.178	20	30		FDEDRO
CCCc1c(NC(=O)C(=O)N2CC[NH2+]CC2)cnn1-c1cccc(C#N)c1	ZINC000415281388	893025302	/nfs/dbraw/zinc/02/53/02/893025302.db2.gz	NPXWEENCYOLUFS-UHFFFAOYSA-N	1	0	366.425	1.067	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3ccn(C)n3)[C@H](C)C2)CCOCC1	ZINC001106932301	893026510	/nfs/dbraw/zinc/02/65/10/893026510.db2.gz	ZKFJXHKBHJSBEG-IAGOWNOFSA-N	1	0	360.502	1.977	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2sc(C)cc2C)C[C@H]1C	ZINC001106933325	893037558	/nfs/dbraw/zinc/03/75/58/893037558.db2.gz	NENURHMZQUDJDK-GDBMZVCRSA-N	1	0	361.511	1.341	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCOc3ccccc3C2)CC1	ZINC000672356280	893171997	/nfs/dbraw/zinc/17/19/97/893171997.db2.gz	YPYXQSUEVYGNSA-UHFFFAOYSA-N	1	0	357.454	1.564	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2c2cn(C)nc2C)CC1	ZINC000672356624	893186027	/nfs/dbraw/zinc/18/60/27/893186027.db2.gz	IMBCSOIEXDCAEZ-GOSISDBHSA-N	1	0	373.501	1.549	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc3ccccc32)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106942300	893286799	/nfs/dbraw/zinc/28/67/99/893286799.db2.gz	CZPGJHMWEJQYKR-NVXWUHKLSA-N	1	0	364.449	1.777	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C(C)(C)C1	ZINC000940842700	893330086	/nfs/dbraw/zinc/33/00/86/893330086.db2.gz	MUVWLFYXOXYWAS-UPJWGTAASA-N	1	0	350.381	1.735	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(C#N)c[nH]2)CC1	ZINC001002603368	893371454	/nfs/dbraw/zinc/37/14/54/893371454.db2.gz	KRHDMRJUTFALAR-NUJGCVRESA-N	1	0	369.469	1.480	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cn3c(n2)C[C@@H](OC)CC3)[C@H](OC)C1	ZINC001212450999	893391528	/nfs/dbraw/zinc/39/15/28/893391528.db2.gz	JISZRTLDIDYBML-ZMSDIMECSA-N	1	0	362.474	1.240	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@]2(C)CCNC(=O)C2)[C@H](OC)C1	ZINC001212454786	893548888	/nfs/dbraw/zinc/54/88/88/893548888.db2.gz	DIWLAIZHGLPEPU-MDZRGWNJSA-N	1	0	353.507	1.689	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCCC2)CC1(C)C	ZINC000941039944	893669909	/nfs/dbraw/zinc/66/99/09/893669909.db2.gz	VNBVAHBJJWIVQW-IKGGRYGDSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCc2ccnn2C)CC1(C)C	ZINC000941040272	893671638	/nfs/dbraw/zinc/67/16/38/893671638.db2.gz	ZHCPQKUBCYGALZ-FGTMMUONSA-N	1	0	360.502	1.770	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C(C)(C)C1	ZINC000941028306	893694937	/nfs/dbraw/zinc/69/49/37/893694937.db2.gz	LHMQXSLDXYSAQX-PMPSAXMXSA-N	1	0	351.491	1.415	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc3ccccc3o2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106950439	894007584	/nfs/dbraw/zinc/00/75/84/894007584.db2.gz	IGWUREYDLXTANS-UKRRQHHQSA-N	1	0	354.410	1.370	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000672638388	894353611	/nfs/dbraw/zinc/35/36/11/894353611.db2.gz	PDJVSYBZHZEXHV-QGZVFWFLSA-N	1	0	364.534	1.476	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)cc1C(=O)OC	ZINC000922022853	894400783	/nfs/dbraw/zinc/40/07/83/894400783.db2.gz	BXUNTHVCMSPWOH-UHFFFAOYSA-N	1	0	368.430	1.330	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(CO)cc4)C[C@H]32)c1	ZINC001084261764	913869863	/nfs/dbraw/zinc/86/98/63/913869863.db2.gz	XPTAWPIWSZPBHX-IEBWSBKVSA-N	1	0	350.422	1.725	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C(=O)OC)cs1	ZINC000922024228	894453491	/nfs/dbraw/zinc/45/34/91/894453491.db2.gz	NQGHMAJFVMORLQ-UHFFFAOYSA-N	1	0	356.469	1.253	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccnc1OCC(F)F	ZINC000922022519	894510317	/nfs/dbraw/zinc/51/03/17/894510317.db2.gz	MARUYDBUAYGSMM-UHFFFAOYSA-N	1	0	373.425	1.444	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(CNC(C)=O)s1	ZINC000922025128	894522823	/nfs/dbraw/zinc/52/28/23/894522823.db2.gz	DJLSDQRYDFQZIE-UHFFFAOYSA-N	1	0	369.512	1.102	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-]	ZINC000922025846	894536468	/nfs/dbraw/zinc/53/64/68/894536468.db2.gz	PDHPMVFCYCYCAI-UHFFFAOYSA-N	1	0	369.418	1.760	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C2C[NH+](CC3=CCCCC3)C2)CC1	ZINC000941572352	895292271	/nfs/dbraw/zinc/29/22/71/895292271.db2.gz	WXQHHAGSYAMLQL-UXHICEINSA-N	1	0	359.514	1.906	20	30		FDEDRO
Cn1oc(C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)cc1=O	ZINC001084308193	913956681	/nfs/dbraw/zinc/95/66/81/913956681.db2.gz	JMBWXDIFIAJAAV-HZPDHXFCSA-N	1	0	352.394	1.196	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C2C[NH+](CC3CCCC3)C2)CC1	ZINC000941603739	895366227	/nfs/dbraw/zinc/36/62/27/895366227.db2.gz	NOXXUZRXBPQYRC-PMACEKPBSA-N	1	0	361.530	1.986	20	30		FDEDRO
C=C[C@H](C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1)c1ccccc1	ZINC000941873408	895943306	/nfs/dbraw/zinc/94/33/06/895943306.db2.gz	UKMCKOWRZAMBCY-IPMKNSEASA-N	1	0	371.481	1.394	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1	ZINC001065205991	914052305	/nfs/dbraw/zinc/05/23/05/914052305.db2.gz	IHUFTZIWHTTWHN-VHDGCEQUSA-N	1	0	371.909	1.449	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1	ZINC001065205987	914053615	/nfs/dbraw/zinc/05/36/15/914053615.db2.gz	IHUFTZIWHTTWHN-BPLDGKMQSA-N	1	0	371.909	1.449	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)n(C)c2C)C[C@H]1C	ZINC001106966535	896406928	/nfs/dbraw/zinc/40/69/28/896406928.db2.gz	XHAWIRNTDIUYGF-UKPHBRMFSA-N	1	0	360.502	1.630	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1	ZINC000942249149	896742106	/nfs/dbraw/zinc/74/21/06/896742106.db2.gz	UJKQKKPHSSINAC-AVEIZBFRSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1O	ZINC001077977691	897280217	/nfs/dbraw/zinc/28/02/17/897280217.db2.gz	KXVDHGZALMIHCN-ZIAGYGMSSA-N	1	0	367.396	1.467	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1O	ZINC001077977973	897284319	/nfs/dbraw/zinc/28/43/19/897284319.db2.gz	YMKJOIUFQFBDLE-IAGOWNOFSA-N	1	0	357.454	1.922	20	30		FDEDRO
C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)CC2(CCOCC2)C1	ZINC001089958622	897296865	/nfs/dbraw/zinc/29/68/65/897296865.db2.gz	DSYZTKYIICQBPW-KZNAEPCWSA-N	1	0	370.497	1.534	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(c2cccc(C[NH2+]CC#CC)n2)C1	ZINC001128118035	897299268	/nfs/dbraw/zinc/29/92/68/897299268.db2.gz	JPYGAXNIPKGIHD-OTWHNJEPSA-N	1	0	368.481	1.481	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1	ZINC000942552949	897334621	/nfs/dbraw/zinc/33/46/21/897334621.db2.gz	PMAGSDZRICUIPN-HUUCEWRRSA-N	1	0	371.909	1.449	20	30		FDEDRO
COCc1ccsc1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1O	ZINC001077999369	897496541	/nfs/dbraw/zinc/49/65/41/897496541.db2.gz	HJNWGQLPMMQCCQ-IAGOWNOFSA-N	1	0	371.462	1.741	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1O	ZINC001078026559	897634172	/nfs/dbraw/zinc/63/41/72/897634172.db2.gz	QIKXPYOPOSMOAE-RTBURBONSA-N	1	0	371.481	1.839	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccccc2)C[C@H]1O	ZINC001078027857	897656696	/nfs/dbraw/zinc/65/66/96/897656696.db2.gz	LJGYUEYDHJDFNW-KFKAGJAMSA-N	1	0	365.433	1.630	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(Cc3ccc(COC)cc3)C[C@H]2O)nc1	ZINC001078029975	897663688	/nfs/dbraw/zinc/66/36/88/897663688.db2.gz	BBLCMWQFLOXSJT-WOJBJXKFSA-N	1	0	365.433	1.184	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@@H]2CCO[C@H]2C=C)C1	ZINC000995269045	897665702	/nfs/dbraw/zinc/66/57/02/897665702.db2.gz	QHWMRTUPHHBXFY-ZCNNSNEGSA-N	1	0	353.466	1.956	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2OCCO[C@H]2C)C1	ZINC000995269589	897673163	/nfs/dbraw/zinc/67/31/63/897673163.db2.gz	YNMZJGGWSLPMBD-UHOSZYNNSA-N	1	0	357.454	1.169	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](N(CC)C(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000942808485	897811362	/nfs/dbraw/zinc/81/13/62/897811362.db2.gz	JVSOMPMDCFXOEN-SLFFLAALSA-N	1	0	371.525	1.827	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCCC2=CCN(c3nccnc3C#N)CC2)CC[N@@H+]1C	ZINC001089870500	897889826	/nfs/dbraw/zinc/88/98/26/897889826.db2.gz	TXMRNCGAKJAHDN-GDBMZVCRSA-N	1	0	354.458	1.331	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(C)cc2=O)[C@H](OC)C1	ZINC001212436870	897890059	/nfs/dbraw/zinc/89/00/59/897890059.db2.gz	OAOGLLBMSDPOIX-IEBWSBKVSA-N	1	0	361.486	1.869	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CN(Cc2scnc2C)C[C@H]1O	ZINC001078082649	897910464	/nfs/dbraw/zinc/91/04/64/897910464.db2.gz	RMQFDKKQXNSEMD-IAGOWNOFSA-N	1	0	355.463	1.337	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC000942981328	898228314	/nfs/dbraw/zinc/22/83/14/898228314.db2.gz	WJGTZRGOGFOTBI-BBWFWOEESA-N	1	0	361.486	1.123	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC000943284778	898614799	/nfs/dbraw/zinc/61/47/99/898614799.db2.gz	HANMZAFELVGRHS-AYOQOUSVSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCCN(C(=O)[C@@H]3C[C@H]3CC)C2)CC1	ZINC000943310209	898676961	/nfs/dbraw/zinc/67/69/61/898676961.db2.gz	JFRLGTXCNQSNOW-BHIYHBOVSA-N	1	0	359.514	1.875	20	30		FDEDRO
N#Cc1cccc(C[NH2+]C[C@@H]2CN(C(=O)[C@]34C[C@H]3COC4)CCCO2)c1	ZINC001078403595	898737213	/nfs/dbraw/zinc/73/72/13/898737213.db2.gz	CPZPFKHPIKNJPM-NSHGMRRFSA-N	1	0	355.438	1.302	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-c3ncn(C)n3)cc2)c1C#N	ZINC000515534436	898997637	/nfs/dbraw/zinc/99/76/37/898997637.db2.gz	XYDOMQACTHDHKB-UHFFFAOYSA-N	1	0	364.413	1.481	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1	ZINC000943741499	899302576	/nfs/dbraw/zinc/30/25/76/899302576.db2.gz	YTKIFWHZSKOALN-VQHPVUNQSA-N	1	0	361.486	1.217	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1	ZINC000943788384	899389701	/nfs/dbraw/zinc/38/97/01/899389701.db2.gz	HTRLKORAOBTDHM-QRVBRYPASA-N	1	0	371.481	1.462	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)CCCCC1	ZINC001107020043	899594295	/nfs/dbraw/zinc/59/42/95/899594295.db2.gz	AVQIXXLNVFQFIR-IAGOWNOFSA-N	1	0	360.502	1.837	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3nnc(C)n3C2)C[C@H]1C	ZINC001107022218	899605124	/nfs/dbraw/zinc/60/51/24/899605124.db2.gz	KHHTUYUNKMGXBA-KCPJHIHWSA-N	1	0	351.882	1.586	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)C[C@H]1C	ZINC001107023144	899616440	/nfs/dbraw/zinc/61/64/40/899616440.db2.gz	GZQAPHQUGMDPRA-OWCLPIDISA-N	1	0	359.536	1.307	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC000944052169	899769508	/nfs/dbraw/zinc/76/95/08/899769508.db2.gz	AELOWVHYGVYVNS-HLLBOEOZSA-N	1	0	357.458	1.337	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[C@@H]3N3CCCC3=O)[C@@H]2C1	ZINC001084419217	914388076	/nfs/dbraw/zinc/38/80/76/914388076.db2.gz	DXADMYUCKHJIKO-AKHDSKFASA-N	1	0	357.498	1.724	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCO[C@H]3c3nccn3C)[C@@H]2C1	ZINC001084419521	914392085	/nfs/dbraw/zinc/39/20/85/914392085.db2.gz	XLNSPTWPJPDYEA-BRSBDYLESA-N	1	0	358.486	1.997	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C[N@H+]1CCC(C)(C)C1	ZINC000944296809	900042875	/nfs/dbraw/zinc/04/28/75/900042875.db2.gz	MGKMSXGVADWEKO-ZACQAIPSSA-N	1	0	363.502	1.417	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)N(C)C)C[C@H]1C	ZINC001107039471	900075000	/nfs/dbraw/zinc/07/50/00/900075000.db2.gz	SVWGLTPPDAJOIB-MISYRCLQSA-N	1	0	357.498	1.623	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2ccc(C)cc2)C[C@H]1C	ZINC001107048217	900129118	/nfs/dbraw/zinc/12/91/18/900129118.db2.gz	HQPOXFQYHPNELC-NLWGTHIKSA-N	1	0	369.509	1.607	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@H](C)C(C)C)[C@H](C)C1	ZINC001107058803	900290799	/nfs/dbraw/zinc/29/07/99/900290799.db2.gz	BBNFLGAKQOWREY-BRWVUGGUSA-N	1	0	353.507	1.424	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CCC2)[C@H](C)C1	ZINC001107059220	900314076	/nfs/dbraw/zinc/31/40/76/900314076.db2.gz	YNTHPXYPIAZNDI-NVXWUHKLSA-N	1	0	351.491	1.180	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCCCOCC)C[C@H]1C	ZINC001107060659	900363904	/nfs/dbraw/zinc/36/39/04/900363904.db2.gz	HEYPOAMQNHEXLE-FGTMMUONSA-N	1	0	365.518	1.405	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc3c2CCC3)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001107062380	900369025	/nfs/dbraw/zinc/36/90/25/900369025.db2.gz	IUKDFCPQOIHFIZ-GDBMZVCRSA-N	1	0	354.454	1.113	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCc2c(C)noc2Cl)C[C@H]1C	ZINC001107062784	900379373	/nfs/dbraw/zinc/37/93/73/900379373.db2.gz	SUCMLMYPWBXWRW-UKRRQHHQSA-N	1	0	367.877	1.903	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CCF)[C@H](C)C1	ZINC001107062956	900392718	/nfs/dbraw/zinc/39/27/18/900392718.db2.gz	XNGDBCFSIXFYTG-RBSFLKMASA-N	1	0	353.442	1.023	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C(C)C)C(C)C)[C@H](C)C1	ZINC001107063041	900448036	/nfs/dbraw/zinc/44/80/36/900448036.db2.gz	AADSCFGBGGHNDL-KZNAEPCWSA-N	1	0	367.534	1.907	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nn(C)cc2Cl)[C@H](C)C1	ZINC001107063098	900448265	/nfs/dbraw/zinc/44/82/65/900448265.db2.gz	BLIJSHZXVCNDCO-HZSPNIEDSA-N	1	0	354.882	1.849	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cc3n(n2)CCCC3)[C@H](C)C1	ZINC001107063512	900449625	/nfs/dbraw/zinc/44/96/25/900449625.db2.gz	QXRDZLVVZNMHDI-BRWVUGGUSA-N	1	0	360.502	1.995	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]Cc2nn(C)cc2Cl)[C@H](C)C1	ZINC001107063408	900449765	/nfs/dbraw/zinc/44/97/65/900449765.db2.gz	NOYZSWUGILZRLO-ZIAGYGMSSA-N	1	0	354.882	1.850	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(C)(C)C)[C@H](C)C1	ZINC001107063559	900449776	/nfs/dbraw/zinc/44/97/76/900449776.db2.gz	SBRACPLBGJPLJD-OWCLPIDISA-N	1	0	353.507	1.424	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CCCS(=O)(=O)CC)[C@H](C)C1	ZINC001107065017	900453576	/nfs/dbraw/zinc/45/35/76/900453576.db2.gz	DRGLSLJAZCZAJH-BZUAXINKSA-N	1	0	360.520	1.086	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2csc(C3CC3)n2)C[C@H]1C	ZINC001107072461	900506015	/nfs/dbraw/zinc/50/60/15/900506015.db2.gz	RANYKJVKKKORDW-TZMCWYRMSA-N	1	0	362.499	1.620	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nonc2C)C[C@H]1C	ZINC001107083610	900668588	/nfs/dbraw/zinc/66/85/88/900668588.db2.gz	IFDRLNSHEKWUKC-UKRRQHHQSA-N	1	0	363.462	1.100	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2-n2ccnn2)C[C@H]1C	ZINC001107090375	900805461	/nfs/dbraw/zinc/80/54/61/900805461.db2.gz	IYPAKKQOPGVSQU-IAGOWNOFSA-N	1	0	369.469	1.768	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCCCC2(C)C)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001107095351	900853949	/nfs/dbraw/zinc/85/39/49/900853949.db2.gz	JJWGYDISELVDFJ-BRWVUGGUSA-N	1	0	362.518	1.917	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC2CCC(C)(C)CC2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001107098895	900961914	/nfs/dbraw/zinc/96/19/14/900961914.db2.gz	MHPGISDFZQVYFJ-NVXWUHKLSA-N	1	0	362.518	1.917	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(c3ccncc3C#N)CCO2)CC[N@@H+]1C	ZINC001063671532	901054137	/nfs/dbraw/zinc/05/41/37/901054137.db2.gz	YKGCONLIEBSDLN-IXDOHACOSA-N	1	0	357.458	1.005	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1	ZINC000763963723	901219052	/nfs/dbraw/zinc/21/90/52/901219052.db2.gz	RHKRCMZDORFZFR-UHFFFAOYSA-N	1	0	359.426	1.710	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1	ZINC000945059806	901249361	/nfs/dbraw/zinc/24/93/61/901249361.db2.gz	LGEQXNSEBJQRJK-ZACQAIPSSA-N	1	0	361.486	1.123	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2cnn(C)n2)[C@@H](n2ccnn2)C1	ZINC001129316056	901302796	/nfs/dbraw/zinc/30/27/96/901302796.db2.gz	JOMKLIJEHZIXBH-CVEARBPZSA-N	1	0	360.466	1.032	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(C[C@H](CC)[N@@H+]2CCc3ccccc3C2)C1=O	ZINC000348422453	901311166	/nfs/dbraw/zinc/31/11/66/901311166.db2.gz	FLUKJLCRARKUJO-ROUUACIJSA-N	1	0	357.454	1.946	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCO[C@H]2C(=C)C)[C@@H](n2ccnn2)C1	ZINC001129317200	901314335	/nfs/dbraw/zinc/31/43/35/901314335.db2.gz	RGYDCYJKMZQSJC-RDGPPVDQSA-N	1	0	373.501	1.957	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2cnc(C#N)cn2)CC[N@@H+]1C	ZINC001064544094	901395637	/nfs/dbraw/zinc/39/56/37/901395637.db2.gz	GEMCMKUKDMEQTG-XWTMOSNGSA-N	1	0	368.485	1.648	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NC(=O)C[NH+]2CCC(C)CC2)CCC1	ZINC001064583696	901432380	/nfs/dbraw/zinc/43/23/80/901432380.db2.gz	KCEUNNMUFCHGBV-SJORKVTESA-N	1	0	363.502	1.465	20	30		FDEDRO
N#Cc1ccc(OCC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1	ZINC000272874488	901564051	/nfs/dbraw/zinc/56/40/51/901564051.db2.gz	ULTNTVGCDGVXSJ-LJQANCHMSA-N	1	0	365.433	1.820	20	30		FDEDRO
N#Cc1ccc(N2C[C@@H]3CCN(C(=O)CCC[NH+]4CCCCC4)[C@@H]3C2)nn1	ZINC001090318395	901644745	/nfs/dbraw/zinc/64/47/45/901644745.db2.gz	XPQZYEJDAVKJLA-FUHWJXTLSA-N	1	0	368.485	1.651	20	30		FDEDRO
N#Cc1cncc(N2C[C@@H]3CCN(C(=O)CCCC[NH+]4CCCC4)[C@@H]3C2)n1	ZINC001090325911	901699015	/nfs/dbraw/zinc/69/90/15/901699015.db2.gz	KFZSIYCNBLUXPH-FUHWJXTLSA-N	1	0	368.485	1.651	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(c2cc(C#N)ccn2)CC1)C1=CC[N@H+](C)CC1	ZINC000272923324	901772633	/nfs/dbraw/zinc/77/26/33/901772633.db2.gz	KKTVNCQALFFMIA-HNNXBMFYSA-N	1	0	354.458	1.435	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000945381706	901787068	/nfs/dbraw/zinc/78/70/68/901787068.db2.gz	NQRMCCLPMFEEEJ-BZSNNMDCSA-N	1	0	363.502	1.559	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N2CC[C@H]3CN(c4ncc(C#N)cc4F)C[C@H]32)CC1	ZINC001090352242	901800214	/nfs/dbraw/zinc/80/02/14/901800214.db2.gz	XKLDXDBPDTWJAG-GOEBONIOSA-N	1	0	357.433	1.471	20	30		FDEDRO
C[NH+]=C(NCc1ccc(-n2nc(C)cc2C)nc1)N[C@H]1CCN(C2CC2)C1	ZINC000083125810	901859984	/nfs/dbraw/zinc/85/99/84/901859984.db2.gz	PVDNXSXXRXQMIU-KRWDZBQOSA-N	1	0	367.501	1.786	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ncoc2CC)C1	ZINC001079129764	901935407	/nfs/dbraw/zinc/93/54/07/901935407.db2.gz	FQHDKGLDMKCUTG-QZTJIDSGSA-N	1	0	367.449	1.948	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cc(C)nn2C)C1	ZINC001079130104	901939559	/nfs/dbraw/zinc/93/95/59/901939559.db2.gz	XGVWRNXAXLLCHJ-WOJBJXKFSA-N	1	0	368.481	1.992	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CCOC)C[C@H]1O	ZINC001079143985	901954973	/nfs/dbraw/zinc/95/49/73/901954973.db2.gz	ZIOHNZVFZIYSSK-WTGUMLROSA-N	1	0	374.481	1.298	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccncn2)C1	ZINC001079146107	901962450	/nfs/dbraw/zinc/96/24/50/901962450.db2.gz	SIVMKMCALDDPFU-RTBURBONSA-N	1	0	352.438	1.740	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ncccc2F)C1	ZINC001079146217	901963573	/nfs/dbraw/zinc/96/35/73/901963573.db2.gz	ZSVWIYPAOXWBLT-RTBURBONSA-N	1	0	367.424	1.932	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)CC[C@H]1c1ccc(F)cc1	ZINC001079149924	901980615	/nfs/dbraw/zinc/98/06/15/901980615.db2.gz	SIYSXNQNTDCWLE-RCCFBDPRSA-N	1	0	359.445	1.955	20	30		FDEDRO
C#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[NH+]3CCC2CC3)C1	ZINC001079134837	901998610	/nfs/dbraw/zinc/99/86/10/901998610.db2.gz	UQJGPGJJGKMRKH-PWRODBHTSA-N	1	0	367.493	1.035	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2c(C)ncn2C)C1	ZINC001079136840	902008185	/nfs/dbraw/zinc/00/81/85/902008185.db2.gz	FXEFRUNVOLTEKW-RTBURBONSA-N	1	0	368.481	1.992	20	30		FDEDRO
C=CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCCC[N@H+]2C)C1	ZINC001079138231	902019916	/nfs/dbraw/zinc/01/99/16/902019916.db2.gz	URVFDMSGUWMLHR-XUVXKRRUSA-N	1	0	357.498	1.731	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)C3CC3)C[C@H]2c2cccc(F)c2)C1=O	ZINC001079167518	902040950	/nfs/dbraw/zinc/04/09/50/902040950.db2.gz	GSZQDGJPLDXPQS-GBESFXJTSA-N	1	0	371.456	1.907	20	30		FDEDRO
C[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)N(C)CCC#N	ZINC000901726756	902074709	/nfs/dbraw/zinc/07/47/09/902074709.db2.gz	ALXZQPVPIVOPKU-QWRGUYRKSA-N	1	0	354.252	1.311	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH2+]CCO)C2)cn1	ZINC001079161352	902084669	/nfs/dbraw/zinc/08/46/69/902084669.db2.gz	KOYXVZUOAFDCOA-VQTJNVASSA-N	1	0	367.424	1.782	20	30		FDEDRO
CC[C@@H]1C[C@H]1C(=O)N1CC[NH+](CCCCCNC(=O)C#CC2CC2)CC1	ZINC001079160693	902085451	/nfs/dbraw/zinc/08/54/51/902085451.db2.gz	FWINYUZFNKNEDG-RTBURBONSA-N	1	0	359.514	1.877	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)=O)CC[C@H]1c1ccc(F)cc1	ZINC001079161015	902085466	/nfs/dbraw/zinc/08/54/66/902085466.db2.gz	CASLMXGNYGKTRI-ZCNNSNEGSA-N	1	0	371.456	1.744	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccnc2C(N)=O)C[C@H]1c1cccc(F)c1	ZINC001079211048	902132069	/nfs/dbraw/zinc/13/20/69/902132069.db2.gz	OJLWXSMJIBQPDH-DLBZAZTESA-N	1	0	366.396	1.151	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@H]1c1cccc(F)c1	ZINC001079187477	902133874	/nfs/dbraw/zinc/13/38/74/902133874.db2.gz	IUJFRTXUKZTWNB-FUHWJXTLSA-N	1	0	370.428	1.693	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cn2cc(C3CC3)nn2)C[C@H]1c1cccc(F)c1	ZINC001079186684	902133907	/nfs/dbraw/zinc/13/39/07/902133907.db2.gz	YIMBHAHMFJZWRF-PKOBYXMFSA-N	1	0	367.428	1.512	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(=O)[nH]c2)C[C@H]1c1cccc(F)c1	ZINC001079191272	902147604	/nfs/dbraw/zinc/14/76/04/902147604.db2.gz	GLLKYYYOTYSONB-ZWKOTPCHSA-N	1	0	353.397	1.686	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3nncn3C2)C[C@H]1c1cccc(F)c1	ZINC001079211125	902147657	/nfs/dbraw/zinc/14/76/57/902147657.db2.gz	RTZKJRMUTGREMI-BPQIPLTHSA-N	1	0	367.428	1.197	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(=O)c(OC)c[nH]2)C[C@H]1c1cccc(F)c1	ZINC001079191488	902147999	/nfs/dbraw/zinc/14/79/99/902147999.db2.gz	SHBNZOVTMCTDBS-DOTOQJQBSA-N	1	0	369.396	1.354	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)Cc3cncnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079239274	902185669	/nfs/dbraw/zinc/18/56/69/902185669.db2.gz	LBFRJBIIDDTTJR-ZWKOTPCHSA-N	1	0	356.470	1.535	20	30		FDEDRO
Cc1oncc1C[NH+]1CCC2(CN(C(=O)C#CC3CC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079241427	902193388	/nfs/dbraw/zinc/19/33/88/902193388.db2.gz	WYSGXTDRMYMJMA-RBUKOAKNSA-N	1	0	369.465	1.836	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)N2CCOCC2)C[C@H]1c1cccc(F)c1	ZINC001079212098	902196632	/nfs/dbraw/zinc/19/66/32/902196632.db2.gz	IXEYBYYCHLKVFC-ZYSHUDEJSA-N	1	0	359.445	1.064	20	30		FDEDRO
COCC(=O)N1CC2(CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@H]2COC[C@H]21	ZINC001079212174	902198135	/nfs/dbraw/zinc/19/81/35/902198135.db2.gz	MRSXVSPAZAJTGS-RBUKOAKNSA-N	1	0	369.465	1.644	20	30		FDEDRO
C=CCN1CC[C@H]([NH+]2CCC3(CN(C(=O)CC)[C@@H]4COC[C@@H]43)CC2)C1=O	ZINC001079213468	902201253	/nfs/dbraw/zinc/20/12/53/902201253.db2.gz	VPCWYHVLERTVFE-YESZJQIVSA-N	1	0	361.486	1.123	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(C[NH+](C)C)cc2)C1	ZINC000995801239	902236129	/nfs/dbraw/zinc/23/61/29/902236129.db2.gz	YVBLNCFFNHXHPJ-MSOLQXFVSA-N	1	0	357.454	1.280	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)Cc3nc(CC)c[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079246287	902258321	/nfs/dbraw/zinc/25/83/21/902258321.db2.gz	ZTKMXRSTUAQQQG-ZWKOTPCHSA-N	1	0	370.497	1.477	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc4n(n3)CCCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079247199	902261015	/nfs/dbraw/zinc/26/10/15/902261015.db2.gz	RJOOMZHALJJYHO-PKOBYXMFSA-N	1	0	368.481	1.406	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3[nH]c(=O)[nH]c3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079247360	902261121	/nfs/dbraw/zinc/26/11/21/902261121.db2.gz	ZTACZQUKFYVINT-LSDHHAIUSA-N	1	0	358.442	1.000	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCn4ccnc4C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079248116	902263223	/nfs/dbraw/zinc/26/32/23/902263223.db2.gz	ISZUFXCEHLCBRF-OKZBNKHCSA-N	1	0	368.481	1.018	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCc4nccn4C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079248443	902265813	/nfs/dbraw/zinc/26/58/13/902265813.db2.gz	ZKXUFTGWEUGCDX-FGTMMUONSA-N	1	0	368.481	1.018	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCc4nccn4C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079248444	902265987	/nfs/dbraw/zinc/26/59/87/902265987.db2.gz	ZKXUFTGWEUGCDX-OKZBNKHCSA-N	1	0	368.481	1.018	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)CCc3cncnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079251102	902270795	/nfs/dbraw/zinc/27/07/95/902270795.db2.gz	FYTNWQQHLYYCOX-RBUKOAKNSA-N	1	0	368.481	1.372	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)Cc3ncccc3OC)[C@@H]3COC[C@@H]32)CC1	ZINC001079258154	902290254	/nfs/dbraw/zinc/29/02/54/902290254.db2.gz	PWNFUFOBFLYDKF-FUHWJXTLSA-N	1	0	369.465	1.205	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)CC3=CCOCC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079258953	902292962	/nfs/dbraw/zinc/29/29/62/902292962.db2.gz	STEBNIDEHNWOKN-RBUKOAKNSA-N	1	0	358.482	1.686	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)CCc3cc(C)on3)[C@@H]3COC[C@@H]32)CC1	ZINC001079260844	902298757	/nfs/dbraw/zinc/29/87/57/902298757.db2.gz	SDKDZFGIGADSEH-RBUKOAKNSA-N	1	0	371.481	1.878	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(CC[NH+](CCOC)CC2)[C@H]2COC[C@H]21	ZINC001079261674	902300857	/nfs/dbraw/zinc/30/08/57/902300857.db2.gz	BGCMLQXXMBMGAD-XDNAFOTISA-N	1	0	364.486	1.163	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)Cc3ccc(CC)cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079261922	902301772	/nfs/dbraw/zinc/30/17/72/902301772.db2.gz	PNMKCPPJDYLVCS-VQTJNVASSA-N	1	0	367.493	1.759	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079262935	902303608	/nfs/dbraw/zinc/30/36/08/902303608.db2.gz	FYUOJXAUKZFZHR-ZSYWTGECSA-N	1	0	370.497	1.649	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cnn(CC)c3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079268331	902321465	/nfs/dbraw/zinc/32/14/65/902321465.db2.gz	XNJLPQHPZIPRMW-RBUKOAKNSA-N	1	0	370.497	1.788	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3coc(CC4CC4)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269010	902322507	/nfs/dbraw/zinc/32/25/07/902322507.db2.gz	ANZAAUUJBXNUKW-FUHWJXTLSA-N	1	0	369.465	1.813	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21	ZINC001079270956	902331446	/nfs/dbraw/zinc/33/14/46/902331446.db2.gz	DPDPAMUHEQWKNJ-VQTJNVASSA-N	1	0	368.477	1.142	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)Cc3c(C)noc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079272174	902334901	/nfs/dbraw/zinc/33/49/01/902334901.db2.gz	FTPFZAVLUWVREY-ZWKOTPCHSA-N	1	0	357.454	1.407	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3ccc(=O)[nH]c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079272766	902337315	/nfs/dbraw/zinc/33/73/15/902337315.db2.gz	XCDMSOJUVRBVHP-DLBZAZTESA-N	1	0	357.454	1.916	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3nccn3C2)C[C@H]1c1ccccc1F	ZINC001079300666	902347529	/nfs/dbraw/zinc/34/75/29/902347529.db2.gz	RSUTVPNYLJEMSL-VDZJLULYSA-N	1	0	366.440	1.802	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ncnc3[nH]ccc32)C[C@H]1c1ccccc1F	ZINC001079302015	902350257	/nfs/dbraw/zinc/35/02/57/902350257.db2.gz	MASKPOSETMVJRN-DOTOQJQBSA-N	1	0	363.396	1.880	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@H]1CN(C(=O)[C@]23C[C@H]2COC3)CC1(C)C	ZINC000995833229	902358486	/nfs/dbraw/zinc/35/84/86/902358486.db2.gz	MOMBIDULHKLOCW-MDKPJZGXSA-N	1	0	369.465	1.930	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3COc4ccccc43)[C@@H]3COC[C@@H]32)CC1	ZINC001079276021	902360691	/nfs/dbraw/zinc/36/06/91/902360691.db2.gz	YDJZDAWARJCTFH-CEXWTWQISA-N	1	0	366.461	1.735	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)C[C@H]1c1ccccc1F	ZINC001079289107	902387487	/nfs/dbraw/zinc/38/74/87/902387487.db2.gz	PMXBGXWEMSSNDQ-QXAKKESOSA-N	1	0	361.461	1.616	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2ncccn2)C[C@H]1c1ccccc1F	ZINC001079316141	902412140	/nfs/dbraw/zinc/41/21/40/902412140.db2.gz	ZEIYBSIYWZHSCP-FUHWJXTLSA-N	1	0	352.413	1.766	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1c1ccccc1F	ZINC001079306365	902438119	/nfs/dbraw/zinc/43/81/19/902438119.db2.gz	NYZXDMXASNWTHS-XYJFISCASA-N	1	0	359.445	1.764	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)c1ccc(=O)[nH]n1	ZINC001079382780	902492955	/nfs/dbraw/zinc/49/29/55/902492955.db2.gz	NKNQYJDBGLQJKU-CXAGYDPISA-N	1	0	367.409	1.335	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC001079541966	902775482	/nfs/dbraw/zinc/77/54/82/902775482.db2.gz	HTTUUDDLWGHKGR-CXAGYDPISA-N	1	0	352.442	1.598	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C#N)c[nH]1)C2	ZINC000996008235	902887459	/nfs/dbraw/zinc/88/74/59/902887459.db2.gz	MMOPICXXVVOIFY-UTXMOHQDSA-N	1	0	355.442	1.232	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)c1	ZINC000996007904	902887745	/nfs/dbraw/zinc/88/77/45/902887745.db2.gz	LPJOHZZJBRKZOI-MAKQCAJESA-N	1	0	364.409	1.275	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C#N)[nH]1)C2	ZINC000996103909	903088011	/nfs/dbraw/zinc/08/80/11/903088011.db2.gz	MSBXHLZBODASED-UBDQQSCGSA-N	1	0	369.469	1.622	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(C#N)c1)C2	ZINC000996122177	903151090	/nfs/dbraw/zinc/15/10/90/903151090.db2.gz	LGRDPZBNHYFRMH-MHORFTMASA-N	1	0	369.469	1.622	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2scnc2C)C[C@H]1C	ZINC001079878107	903601014	/nfs/dbraw/zinc/60/10/14/903601014.db2.gz	GLVFSSXVRUOIID-OIISXLGYSA-N	1	0	360.527	1.528	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1	ZINC000996314737	903679686	/nfs/dbraw/zinc/67/96/86/903679686.db2.gz	NALSSGGDWSMWMC-SQNIBIBYSA-N	1	0	361.486	1.169	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2c(C)nnn2CC)C(C)(C)C1	ZINC000996331668	903713015	/nfs/dbraw/zinc/71/30/15/903713015.db2.gz	SKMJKHHGNTXIGQ-HYVNUMGLSA-N	1	0	361.490	1.524	20	30		FDEDRO
CCOc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)[nH]n1	ZINC001079938470	903782945	/nfs/dbraw/zinc/78/29/45/903782945.db2.gz	YPHJTZIWNCOMSX-CXAGYDPISA-N	1	0	353.426	1.930	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1CCn2ccnc2C1	ZINC001079991839	903826012	/nfs/dbraw/zinc/82/60/12/903826012.db2.gz	TZQSVYPQWWIIGD-ATZDWAIDSA-N	1	0	363.465	1.954	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1cn(C2C[NH+](CCCC(C)C)C2)nn1	ZINC001107212022	903955031	/nfs/dbraw/zinc/95/50/31/903955031.db2.gz	KKRRSIBNYSNGMM-MSOLQXFVSA-N	1	0	361.490	1.778	20	30		FDEDRO
C=CCCC[NH+]1CC(n2cc(CNC(=O)[C@H]3CCO[C@H]3C(=C)C)nn2)C1	ZINC001107218247	904004716	/nfs/dbraw/zinc/00/47/16/904004716.db2.gz	CSFQURPQVPJYPC-ROUUACIJSA-N	1	0	359.474	1.698	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C)s3)CCC[C@@H]12	ZINC001107253850	904145373	/nfs/dbraw/zinc/14/53/73/904145373.db2.gz	JROLYDKXFWHFCM-VQIMIIECSA-N	1	0	359.495	1.780	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNC(=O)NCCNc2ncccc2C#N)CCCO1	ZINC000764269595	904178487	/nfs/dbraw/zinc/17/84/87/904178487.db2.gz	KUXNMUOYBRPMDH-HNNXBMFYSA-N	1	0	360.462	1.165	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1	ZINC000764269641	904178797	/nfs/dbraw/zinc/17/87/97/904178797.db2.gz	MFCJGLPMOUQXBQ-UHFFFAOYSA-N	1	0	351.410	1.601	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)C#N)CCC[C@@H]12	ZINC001107336771	904506999	/nfs/dbraw/zinc/50/69/99/904506999.db2.gz	QUFBSEIJIUSYHT-SQGPQFPESA-N	1	0	360.502	1.931	20	30		FDEDRO
C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccsc1)CC2	ZINC001107374052	904604165	/nfs/dbraw/zinc/60/41/65/904604165.db2.gz	HURIJGKKMYVFBS-VQIMIIECSA-N	1	0	359.495	1.748	20	30		FDEDRO
C[C@H](NC(N)=O)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccc1C#N)CC2	ZINC001107377302	904614033	/nfs/dbraw/zinc/61/40/33/904614033.db2.gz	FSZABFVPUYXJTM-JNAXZKDPSA-N	1	0	369.469	1.476	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC1CC1)CC2	ZINC001107378786	904622664	/nfs/dbraw/zinc/62/26/64/904622664.db2.gz	MNFGSSDEAPWFMS-NSISKUIASA-N	1	0	363.502	1.201	20	30		FDEDRO
CC(C)[C@@H](C)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C#CC3CC3)CCC[C@@H]12	ZINC001107398385	904725601	/nfs/dbraw/zinc/72/56/01/904725601.db2.gz	RYXNJIBRJZBNGD-HGHGUNKESA-N	1	0	359.514	1.921	20	30		FDEDRO
C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(C)(C)C)CC2	ZINC001107404826	904749246	/nfs/dbraw/zinc/74/92/46/904749246.db2.gz	PYJMSGWXUKHIOX-OXQOHEQNSA-N	1	0	363.502	1.302	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)CO[C@@H]3CCOC3)CCC[C@@H]12	ZINC001107405079	904751099	/nfs/dbraw/zinc/75/10/99/904751099.db2.gz	DIYVTNICZUJWMG-ZHALLVOQSA-N	1	0	352.475	1.355	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCc2ccc(C)cc2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC001081552395	904756054	/nfs/dbraw/zinc/75/60/54/904756054.db2.gz	IIOGMYJOVNGPKV-RTBURBONSA-N	1	0	352.438	1.867	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1	ZINC000764472620	904759285	/nfs/dbraw/zinc/75/92/85/904759285.db2.gz	RTMMOZLCAMVHRL-KRWDZBQOSA-N	1	0	351.878	1.947	20	30		FDEDRO
COc1ccc(CNC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1C#N	ZINC000764477508	904773417	/nfs/dbraw/zinc/77/34/17/904773417.db2.gz	WGUXMCDRKIMLSC-OAHLLOKOSA-N	1	0	360.458	1.867	20	30		FDEDRO
CC(C)(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCNC(=O)C1CC1)CC2	ZINC001107401215	904775754	/nfs/dbraw/zinc/77/57/54/904775754.db2.gz	CPYHWIUJWOOLDT-DYESRHJHSA-N	1	0	359.514	1.923	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)NC(=O)c3ccoc3)CCC[C@@H]12	ZINC001107419278	904799949	/nfs/dbraw/zinc/79/99/49/904799949.db2.gz	OSBFRBAOTOWUST-XAUMDUMWSA-N	1	0	357.454	1.782	20	30		FDEDRO
C[NH+](C)[C@@H](CC(=O)NCCNC(=O)C1N=CC=CC1=O)c1ccccc1	ZINC000764508035	904854501	/nfs/dbraw/zinc/85/45/01/904854501.db2.gz	NIQUFUOIMYUCQK-IJYGLTAASA-N	1	0	356.426	1.322	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC(F)(F)C3)CCC[C@@H]12	ZINC001107429484	904869340	/nfs/dbraw/zinc/86/93/40/904869340.db2.gz	OBUJPKSSCNNHOV-HDMKZQKVSA-N	1	0	367.440	1.532	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3c(F)cncc3F)CCC[C@@H]12	ZINC001107421069	904870974	/nfs/dbraw/zinc/87/09/74/904870974.db2.gz	XGUTUQMGKYIUQX-VQIMIIECSA-N	1	0	363.408	1.984	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCCn3ccnn3)CCC[C@@H]12	ZINC001107432504	904883806	/nfs/dbraw/zinc/88/38/06/904883806.db2.gz	KIYLRYNNLBPLOY-IEBWSBKVSA-N	1	0	359.474	1.069	20	30		FDEDRO
CNC(=O)NCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccc(C#N)c1)CC2	ZINC001107429854	904924902	/nfs/dbraw/zinc/92/49/02/904924902.db2.gz	WASXYABGZORCRU-YLJYHZDGSA-N	1	0	369.469	1.348	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)COc3cc(C)on3)CCC[C@@H]12	ZINC001107442749	904938512	/nfs/dbraw/zinc/93/85/12/904938512.db2.gz	NNRMFMWZUDEXDH-VQIMIIECSA-N	1	0	361.442	1.372	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)Cn3nnc(-c4ccco4)n3)CCC[C@@H]12	ZINC001107459416	904980183	/nfs/dbraw/zinc/98/01/83/904980183.db2.gz	SLWOPYUXCDPQOD-VQIMIIECSA-N	1	0	368.441	1.317	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccn(C)c(=O)c3)CCC[C@@H]12	ZINC001107453552	904995750	/nfs/dbraw/zinc/99/57/50/904995750.db2.gz	PVONCARLCBPYKB-YLJYHZDGSA-N	1	0	359.470	1.562	20	30		FDEDRO
C=C(Cl)CN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)[C@H](OC)C1	ZINC001081796498	905015556	/nfs/dbraw/zinc/01/55/56/905015556.db2.gz	YBEUWAJDOOSVME-IXDOHACOSA-N	1	0	371.909	1.198	20	30		FDEDRO
CCCC[C@](C)(F)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107457165	905020920	/nfs/dbraw/zinc/02/09/20/905020920.db2.gz	HGHHAAQACOTADB-AYOQOUSVSA-N	1	0	366.481	1.905	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2[nH]nc3c2cccc3OC)[C@H](OC)C1	ZINC001081745815	905021231	/nfs/dbraw/zinc/02/12/31/905021231.db2.gz	ZSPYNJAUJABZKE-GDBMZVCRSA-N	1	0	358.442	1.967	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cnn3c2cccc3OC)[C@H](OC)C1	ZINC001081756482	905036925	/nfs/dbraw/zinc/03/69/25/905036925.db2.gz	KHCLNHNGIKCFRR-NVXWUHKLSA-N	1	0	358.442	1.738	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C)c2)C[C@H]1OC	ZINC001081807348	905127156	/nfs/dbraw/zinc/12/71/56/905127156.db2.gz	KNVWPIRECUIEER-HSALFYBXSA-N	1	0	355.482	1.408	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)CCC[C@@H]12	ZINC001107481270	905136825	/nfs/dbraw/zinc/13/68/25/905136825.db2.gz	QIHGWVZJEQJVLE-FEEZOJJESA-N	1	0	371.525	1.923	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3cncc(C)c3)CCC[C@@H]12	ZINC001107489540	905217326	/nfs/dbraw/zinc/21/73/26/905217326.db2.gz	YWKPMUNOIWUMQN-TZIWHRDSSA-N	1	0	355.482	1.943	20	30		FDEDRO
C[C@@H]1CN(Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C1CC[NH+](C)CC1	ZINC001080377231	905282290	/nfs/dbraw/zinc/28/22/90/905282290.db2.gz	HFGWLVILKWGFOA-AUUYWEPGSA-N	1	0	358.461	1.976	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)CCC(=O)N3)[C@H](OC)C1	ZINC001081921945	905311075	/nfs/dbraw/zinc/31/10/75/905311075.db2.gz	FIVZZMUSTGVCGC-QZTJIDSGSA-N	1	0	357.454	1.967	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1CCCCC(=O)N1	ZINC001080424524	905348392	/nfs/dbraw/zinc/34/83/92/905348392.db2.gz	UHZUUAKPOJWRBT-FHLIZLRMSA-N	1	0	354.454	1.554	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cccnc3C)CCC[C@@H]12	ZINC001107521337	905348444	/nfs/dbraw/zinc/34/84/44/905348444.db2.gz	XZFQXKPXMLIXTR-YLJYHZDGSA-N	1	0	356.470	1.667	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)CCCS(N)(=O)=O)CCC[C@@H]12	ZINC001107525840	905374123	/nfs/dbraw/zinc/37/41/23/905374123.db2.gz	PKBCFBZFZQWCDW-NVXWUHKLSA-N	1	0	357.520	1.382	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(Cl)[nH]3)CCC[C@@H]12	ZINC001107537234	905431263	/nfs/dbraw/zinc/43/12/63/905431263.db2.gz	WELJZJXXDDLBGJ-CXAGYDPISA-N	1	0	363.849	1.282	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CC(C)C)OC)CCC[C@@H]12	ZINC001107538821	905437267	/nfs/dbraw/zinc/43/72/67/905437267.db2.gz	WKXKSISYOGKIBK-MBOZVWFJSA-N	1	0	365.518	1.711	20	30		FDEDRO
C[C@@H]1CN(Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1	ZINC001080446251	905448030	/nfs/dbraw/zinc/44/80/30/905448030.db2.gz	FQWMAXAUPQGBEY-QMTMVMCOSA-N	1	0	358.461	1.976	20	30		FDEDRO
C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)Nc1cnc(C#N)cn1	ZINC001098288581	905706212	/nfs/dbraw/zinc/70/62/12/905706212.db2.gz	QJIIRMHJDYTDCT-OLMNPRSZSA-N	1	0	364.453	1.610	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]2C)cc1	ZINC001080575136	905726192	/nfs/dbraw/zinc/72/61/92/905726192.db2.gz	GYQANIVUUWNUEH-IIDMSEBBSA-N	1	0	357.454	1.225	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](CCC[C@H]3CCOC3)C[C@H]2C)nn1	ZINC001080589725	905757968	/nfs/dbraw/zinc/75/79/68/905757968.db2.gz	IIEXKSDUSMBZCD-IXDOHACOSA-N	1	0	361.490	1.721	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](OC)C3CCC3)C[C@H]2OC)c1	ZINC001082118283	905834968	/nfs/dbraw/zinc/83/49/68/905834968.db2.gz	PGZOLPJMOUZGFR-GUDVDZBRSA-N	1	0	357.454	1.307	20	30		FDEDRO
CO[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1	ZINC001082134971	905940594	/nfs/dbraw/zinc/94/05/94/905940594.db2.gz	KBCZUJOEBCWZAX-ATZDWAIDSA-N	1	0	356.470	1.215	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)CN3C(=O)NC(C)(C)C3=O)CCC[C@@H]12	ZINC001107625132	906037455	/nfs/dbraw/zinc/03/74/55/906037455.db2.gz	IAIBMQBVYHUTHK-AUUYWEPGSA-N	1	0	362.474	1.254	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2c3ccccc3[nH]c2=O)[C@H](OC)C1	ZINC001082176980	906058392	/nfs/dbraw/zinc/05/83/92/906058392.db2.gz	RGJOTMUVXXPXFB-NVXWUHKLSA-N	1	0	358.442	1.524	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)Cn3c(=O)oc4ccccc43)CCC[C@@H]12	ZINC001107628711	906105956	/nfs/dbraw/zinc/10/59/56/906105956.db2.gz	DGQSTDSZYXVKKZ-WIYYLYMNSA-N	1	0	367.449	1.979	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C(=O)c3ccsc3)CCC[C@@H]12	ZINC001107639131	906191345	/nfs/dbraw/zinc/19/13/45/906191345.db2.gz	WZQHEKKWDIPXBN-VQIMIIECSA-N	1	0	359.495	1.814	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCCOC(C)C)CCC[C@@H]12	ZINC001107652254	906239971	/nfs/dbraw/zinc/23/99/71/906239971.db2.gz	KINPCERIIJGEEJ-YLJYHZDGSA-N	1	0	363.502	1.302	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)CCNC(=O)[C@H]3CCCO3)CCC[C@@H]12	ZINC001107654972	906255556	/nfs/dbraw/zinc/25/55/56/906255556.db2.gz	NNHBFJTXOYIKNA-MBOZVWFJSA-N	1	0	363.502	1.609	20	30		FDEDRO
C=CCCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCCCC)CC2	ZINC001107648976	906279905	/nfs/dbraw/zinc/27/99/05/906279905.db2.gz	CYLZMXVASPDRSG-YLJYHZDGSA-N	1	0	365.518	1.856	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@H]1C	ZINC001080806794	906290408	/nfs/dbraw/zinc/29/04/08/906290408.db2.gz	HOTAIQIEYLFCDU-ZHALLVOQSA-N	1	0	371.481	1.960	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1C	ZINC001080851387	906445432	/nfs/dbraw/zinc/44/54/32/906445432.db2.gz	GVYGPHGHHPOXND-AYOQOUSVSA-N	1	0	363.465	1.426	20	30		FDEDRO
C=CC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2	ZINC000996915209	906499265	/nfs/dbraw/zinc/49/92/65/906499265.db2.gz	SMDNJPPMJIWEIT-IKGGRYGDSA-N	1	0	373.501	1.519	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CCS(=O)(=O)CC1)C2	ZINC001112539064	906654304	/nfs/dbraw/zinc/65/43/04/906654304.db2.gz	ITZWDRYDGMAWGQ-WMZOPIPTSA-N	1	0	354.516	1.606	20	30		FDEDRO
CCN1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)C1	ZINC001080979080	906842252	/nfs/dbraw/zinc/84/22/52/906842252.db2.gz	AVMJEINGPWMPSW-ATZDWAIDSA-N	1	0	356.470	1.215	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2ncnn2CC(C)C)CC1	ZINC000997010803	906923627	/nfs/dbraw/zinc/92/36/27/906923627.db2.gz	BLYMTICFVIGEOV-SJORKVTESA-N	1	0	361.490	1.606	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3nc(C)c(C)o3)C[C@H]2C)CC1	ZINC001080997622	906970820	/nfs/dbraw/zinc/97/08/20/906970820.db2.gz	HCRQXFPDDPJCHT-RDTXWAMCSA-N	1	0	358.486	1.573	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CCS(=O)(=O)CC1)C2	ZINC001112539398	907000690	/nfs/dbraw/zinc/00/06/90/907000690.db2.gz	YKQNFVUSGNWAMU-WMZOPIPTSA-N	1	0	352.500	1.053	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc4n(c3)CCCC4)C2)C1=O	ZINC001081068066	907089397	/nfs/dbraw/zinc/08/93/97/907089397.db2.gz	DEHZGHCJZHCVDO-LZQZEXGQSA-N	1	0	370.497	1.661	20	30		FDEDRO
COc1cncc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2c2ccccc2)n1	ZINC001081098424	907161494	/nfs/dbraw/zinc/16/14/94/907161494.db2.gz	BJCIGQYWMACVBR-FHLIZLRMSA-N	1	0	365.437	1.729	20	30		FDEDRO
CCn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1c1ccccc1	ZINC001081098739	907164166	/nfs/dbraw/zinc/16/41/66/907164166.db2.gz	KIRNFFIFUSDTKR-FHLIZLRMSA-N	1	0	352.442	1.542	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@H]1c1ccccc1	ZINC001081106619	907197902	/nfs/dbraw/zinc/19/79/02/907197902.db2.gz	QRPFDFLADQVMCO-YESZJQIVSA-N	1	0	361.873	1.849	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)nnn3C)C[C@H]1c1ccccc1	ZINC001081133589	907233834	/nfs/dbraw/zinc/23/38/34/907233834.db2.gz	AUMSYDLZYLLKIQ-PKOBYXMFSA-N	1	0	359.433	1.799	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)COCC3)C[C@H]1c1ccccc1	ZINC001081134201	907236818	/nfs/dbraw/zinc/23/68/18/907236818.db2.gz	OWFMSEFSYKYPCI-DLBZAZTESA-N	1	0	350.422	1.244	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN(C(C)=O)C2)C[C@H]1c1ccccc1	ZINC001081143228	907253216	/nfs/dbraw/zinc/25/32/16/907253216.db2.gz	SKWXLESVNJKHDS-HSALFYBXSA-N	1	0	353.466	1.462	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)[C@H](OC)C1	ZINC001082364815	907253873	/nfs/dbraw/zinc/25/38/73/907253873.db2.gz	VNDZQSMTIPKUIJ-CGTJXYLNSA-N	1	0	363.502	1.559	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+][C@H](C)C(N)=O)C2)nc1	ZINC001081215681	907325247	/nfs/dbraw/zinc/32/52/47/907325247.db2.gz	RGJZQLZLPYFZKO-DKSSEZFCSA-N	1	0	362.433	1.135	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(C(C)=O)CCO2)C[C@H]1c1ccccc1	ZINC001081219512	907330564	/nfs/dbraw/zinc/33/05/64/907330564.db2.gz	GFMZRAGCTFMAEE-ZCNNSNEGSA-N	1	0	371.481	1.394	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(=O)Nc2cc(C)on2)C[C@H]1c1ccccc1	ZINC001081227029	907342976	/nfs/dbraw/zinc/34/29/76/907342976.db2.gz	MROZQVKEXFFTSI-JKSUJKDBSA-N	1	0	352.394	1.139	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nnn(CC)c2CC)C[C@H]1c1ccccc1	ZINC001081178798	907349108	/nfs/dbraw/zinc/34/91/08/907349108.db2.gz	UINVBXLCXSBUDW-DLBZAZTESA-N	1	0	351.454	1.691	20	30		FDEDRO
C#CCN(C(=O)NCC[C@H]1COc2ccccc2O1)C1CC[NH+](C)CC1	ZINC000921522957	907358137	/nfs/dbraw/zinc/35/81/37/907358137.db2.gz	RYSKRUQBKYNEKR-KRWDZBQOSA-N	1	0	357.454	1.956	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN2C(=O)C(C)C)[C@H](OC)C1	ZINC001082382747	907369235	/nfs/dbraw/zinc/36/92/35/907369235.db2.gz	SEBBHGLENMHDMM-IXDOHACOSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCCS2(=O)=O)C[C@H]1c1ccccc1	ZINC001081195538	907374388	/nfs/dbraw/zinc/37/43/88/907374388.db2.gz	GFIJJLSPHAFPOG-SCTDSRPQSA-N	1	0	362.495	1.724	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCC2)C[C@H]1c1ccccc1	ZINC001081205225	907395368	/nfs/dbraw/zinc/39/53/68/907395368.db2.gz	MMUAASKPVOMKQW-DLBZAZTESA-N	1	0	360.479	1.171	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCS2(=O)=O)C[C@H]1c1ccccc1	ZINC001081229936	907429398	/nfs/dbraw/zinc/42/93/98/907429398.db2.gz	HOGONXPIHCDDGY-RCCFBDPRSA-N	1	0	362.495	1.724	20	30		FDEDRO
Cc1nn(C)cc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1	ZINC001082451583	907732209	/nfs/dbraw/zinc/73/22/09/907732209.db2.gz	JNCVQQMHSJRJGD-KZULUSFZSA-N	1	0	355.417	1.990	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O	ZINC001077776526	907844436	/nfs/dbraw/zinc/84/44/36/907844436.db2.gz	UIIUASCCUWPSTQ-NJDAHSKKSA-N	1	0	369.509	1.462	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1[NH2+]Cc1cc(CO)ccc1F	ZINC001082464793	907899800	/nfs/dbraw/zinc/89/98/00/907899800.db2.gz	HWIMCCIWAOGVOS-KZULUSFZSA-N	1	0	356.401	1.768	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cc[nH]c(=O)c3)C[C@H]2C)cc1C#N	ZINC001082471793	907920063	/nfs/dbraw/zinc/92/00/63/907920063.db2.gz	RULNKPYELDAHCM-CXAGYDPISA-N	1	0	366.421	1.918	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCNC(=O)C3)C[C@H]2C)cc1C#N	ZINC001082472309	907922170	/nfs/dbraw/zinc/92/21/70/907922170.db2.gz	FOWQTPUYRDNQQV-UKPHBRMFSA-N	1	0	370.453	1.030	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082472312	907922211	/nfs/dbraw/zinc/92/22/11/907922211.db2.gz	FSICAXUOVZCXPD-HACGYAERSA-N	1	0	358.417	1.160	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]C[C@H](O)c1ccc(F)cc1	ZINC001082480360	907948818	/nfs/dbraw/zinc/94/88/18/907948818.db2.gz	CYMSISGXGLRCCU-PJSAGSTRSA-N	1	0	356.401	1.809	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1)n1cncn1	ZINC001082481551	907955740	/nfs/dbraw/zinc/95/57/40/907955740.db2.gz	BRGXOOFCVPNRPF-PBFPGSCMSA-N	1	0	356.405	1.487	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1C	ZINC001082488653	907989026	/nfs/dbraw/zinc/98/90/26/907989026.db2.gz	GXINCISFRGEORD-RHSMWYFYSA-N	1	0	368.441	1.185	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)Cc2nnc(C)o2)C[C@H]1C	ZINC001082499061	908078427	/nfs/dbraw/zinc/07/84/27/908078427.db2.gz	MJOQZPVSNBJFEL-MLGOLLRUSA-N	1	0	369.425	1.438	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]Cc1csc(-c2cnn(C)c2)n1	ZINC001082502971	908100034	/nfs/dbraw/zinc/10/00/34/908100034.db2.gz	WTZGMKMVCQOLGG-CXAGYDPISA-N	1	0	369.494	1.894	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cc(OC)ncn2)C[C@H]1C	ZINC001082514758	908176571	/nfs/dbraw/zinc/17/65/71/908176571.db2.gz	AVVNJUYBVBFQPY-BXKDBHETSA-N	1	0	355.236	1.444	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@H](C)c2ccnn2C)C[C@H]1C	ZINC001082518212	908202128	/nfs/dbraw/zinc/20/21/28/908202128.db2.gz	FKPIWGPKNBKUDR-RAIGVLPGSA-N	1	0	355.280	1.869	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2nnn(C(C)(C)C)n2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082524678	908254185	/nfs/dbraw/zinc/25/41/85/908254185.db2.gz	GQOFVAPUASYKMT-CZUORRHYSA-N	1	0	367.457	1.550	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)cc(C)c3)C[C@H]2O)nn1	ZINC001077801455	908304997	/nfs/dbraw/zinc/30/49/97/908304997.db2.gz	SGDPNRHAJONQLQ-SJLPKXTDSA-N	1	0	355.442	1.056	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[C@H]2CC)CC1	ZINC000997358051	908314061	/nfs/dbraw/zinc/31/40/61/908314061.db2.gz	VAAUSQAJLCQDTG-DBDQLMEASA-N	1	0	357.498	1.626	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2ccnn2C)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082539536	908359423	/nfs/dbraw/zinc/35/94/23/908359423.db2.gz	UVHNGUJPKYSLGQ-CXAGYDPISA-N	1	0	357.483	1.923	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCN(CC=C)C2=O)C1	ZINC001082561874	908629737	/nfs/dbraw/zinc/62/97/37/908629737.db2.gz	XNPXYZOCIDYPNJ-IXDOHACOSA-N	1	0	356.470	1.511	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@H]1C	ZINC001082572542	908653092	/nfs/dbraw/zinc/65/30/92/908653092.db2.gz	ILXRKYXSZNGNAU-XIDUGBJDSA-N	1	0	353.264	1.858	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082576526	908745613	/nfs/dbraw/zinc/74/56/13/908745613.db2.gz	LGDQIHFTIGGWGC-SRCQZFHVSA-N	1	0	358.417	1.160	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccc4cc[nH]c4n3)C[C@H]2C)C1=O	ZINC001082576359	908745655	/nfs/dbraw/zinc/74/56/55/908745655.db2.gz	DEUNYICNVDYWLI-XOKHGSTOSA-N	1	0	367.453	1.400	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O	ZINC001077807149	908748777	/nfs/dbraw/zinc/74/87/77/908748777.db2.gz	CYJIMORENXSKOV-NMLBUPMWSA-N	1	0	369.465	1.591	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1O	ZINC001077807339	908766254	/nfs/dbraw/zinc/76/62/54/908766254.db2.gz	MZAQPDRENSKBCT-NMLBUPMWSA-N	1	0	358.482	1.762	20	30		FDEDRO
Cc1cc(OCC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)s3)C2)no1	ZINC001082573502	908811799	/nfs/dbraw/zinc/81/17/99/908811799.db2.gz	VOTLOIJZBHNZBW-IAQYHMDHSA-N	1	0	360.439	1.932	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C	ZINC001082573976	908815819	/nfs/dbraw/zinc/81/58/19/908815819.db2.gz	LUVGOUVQYUCTEI-IUODEOHRSA-N	1	0	358.442	1.015	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)C[C@H]1C	ZINC001082599497	908956539	/nfs/dbraw/zinc/95/65/39/908956539.db2.gz	UWRQQKXOFPRMCS-RAIGVLPGSA-N	1	0	358.280	1.200	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082599983	908960825	/nfs/dbraw/zinc/96/08/25/908960825.db2.gz	UTVJGOJZUQZOGQ-RDTXWAMCSA-N	1	0	350.422	1.507	20	30		FDEDRO
CCN1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001082607814	908981492	/nfs/dbraw/zinc/98/14/92/908981492.db2.gz	PRDULNMAEMROGU-ATZDWAIDSA-N	1	0	356.470	1.215	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082610812	909002205	/nfs/dbraw/zinc/00/22/05/909002205.db2.gz	CSQGFOUXTOHFRS-SRCQZFHVSA-N	1	0	358.417	1.160	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@H]1C	ZINC001082614731	909048637	/nfs/dbraw/zinc/04/86/37/909048637.db2.gz	FLHZISBNWKXQCG-DGCLKSJQSA-N	1	0	358.280	1.344	20	30		FDEDRO
C[C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082614695	909048966	/nfs/dbraw/zinc/04/89/66/909048966.db2.gz	CFCDCIOPNZMXKK-CRAIPNDOSA-N	1	0	354.454	1.507	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)CN(C)C(=O)c2cccs2)[C@H](OC)C1	ZINC001212361255	909128851	/nfs/dbraw/zinc/12/88/51/909128851.db2.gz	DWNLLLNSOIFKHL-HUUCEWRRSA-N	1	0	365.499	1.602	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc(C)ccc3OC)C[C@H]2C)C1=O	ZINC001082625786	909206321	/nfs/dbraw/zinc/20/63/21/909206321.db2.gz	DEWFBEOQOGZYGT-KBAYOESNSA-N	1	0	371.481	1.841	20	30		FDEDRO
COc1coc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)cc1=O	ZINC001082644398	909292477	/nfs/dbraw/zinc/29/24/77/909292477.db2.gz	JAMGOWKYTPWIKU-CZUORRHYSA-N	1	0	367.405	1.770	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)C2)CC1	ZINC000997657520	909380285	/nfs/dbraw/zinc/38/02/85/909380285.db2.gz	DTUGYBWWRKOMLV-YTQUADARSA-N	1	0	357.498	1.485	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082662635	909392142	/nfs/dbraw/zinc/39/21/42/909392142.db2.gz	PCMWGZFWJRINPX-MLGOLLRUSA-N	1	0	352.394	1.500	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ncc(C)cc3C)C[C@H]2C)C1=O	ZINC001082655831	909407334	/nfs/dbraw/zinc/40/73/34/909407334.db2.gz	GFXUJMBYVBGDCB-BRWVUGGUSA-N	1	0	356.470	1.535	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C[C@H]1C	ZINC001082657107	909418482	/nfs/dbraw/zinc/41/84/82/909418482.db2.gz	JTZOMCPYUZHCBV-DZUCGIPZSA-N	1	0	371.909	1.055	20	30		FDEDRO
C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1	ZINC000997750262	909604811	/nfs/dbraw/zinc/60/48/11/909604811.db2.gz	OBBLGXZRIBCMJT-RYQLBKOJSA-N	1	0	361.486	1.006	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082692780	909633684	/nfs/dbraw/zinc/63/36/84/909633684.db2.gz	PXXRAOAPKFUNNL-FHLIZLRMSA-N	1	0	370.453	1.004	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](CCn2cncn2)CC1	ZINC000997794974	909721399	/nfs/dbraw/zinc/72/13/99/909721399.db2.gz	XVZGPZKNZBUHTR-SZMVWBNQSA-N	1	0	361.490	1.476	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](CC(=O)N2CCC2)CC1	ZINC000997794668	909721404	/nfs/dbraw/zinc/72/14/04/909721404.db2.gz	VGBCPUOWBCGGCM-IEZWGBDMSA-N	1	0	363.502	1.417	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cn(C)c(=O)[nH]3)C[C@H]2C)cc1C#N	ZINC001082721542	909827872	/nfs/dbraw/zinc/82/78/72/909827872.db2.gz	XZXJSELGLRZWIX-IUODEOHRSA-N	1	0	369.425	1.256	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnc(OC)nc3C)C2)c1	ZINC001082730117	909863116	/nfs/dbraw/zinc/86/31/16/909863116.db2.gz	AZFAEVZELGJZRT-FZKQIMNGSA-N	1	0	365.437	1.420	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CCc3cc(C)on3)C[C@H]2C)C1=O	ZINC001082733624	909892485	/nfs/dbraw/zinc/89/24/85/909892485.db2.gz	JQPLJLWKTKXYTP-KBRIMQKVSA-N	1	0	360.458	1.139	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCC(=O)N2)C[C@H]1C	ZINC001082734782	909903296	/nfs/dbraw/zinc/90/32/96/909903296.db2.gz	YJDPUSQGKBFAFL-RAIGVLPGSA-N	1	0	358.280	1.390	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ocnc3C3CC3)C[C@H]2C)C1=O	ZINC001082740344	909931689	/nfs/dbraw/zinc/93/16/89/909931689.db2.gz	GEMRAJNQMCJJIM-BPLDGKMQSA-N	1	0	358.442	1.389	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082745325	909970100	/nfs/dbraw/zinc/97/01/00/909970100.db2.gz	QVTQNEBSUWUIAB-MLGOLLRUSA-N	1	0	358.471	1.318	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1C	ZINC001082746058	909974208	/nfs/dbraw/zinc/97/42/08/909974208.db2.gz	GVFYZZDLDFWIBH-PRHODGIISA-N	1	0	355.236	1.072	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2nccn3ccnc23)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082749869	909984479	/nfs/dbraw/zinc/98/44/79/909984479.db2.gz	CTGPCVYNHCZSJD-RHSMWYFYSA-N	1	0	360.421	1.851	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@H]1C	ZINC001082751280	909996986	/nfs/dbraw/zinc/99/69/86/909996986.db2.gz	RUQSBFUAYFSTBB-FMKGYKFTSA-N	1	0	367.291	1.869	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1C	ZINC001082761598	910042084	/nfs/dbraw/zinc/04/20/84/910042084.db2.gz	YLMPUZZPEKTMAK-CXAGYDPISA-N	1	0	351.410	1.607	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccc(C)cc3F)C[C@H]2C)C1=O	ZINC001082761979	910043898	/nfs/dbraw/zinc/04/38/98/910043898.db2.gz	ZSURJOKHGPKVSS-ZTFGCOKTSA-N	1	0	359.445	1.971	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082767396	910066053	/nfs/dbraw/zinc/06/60/53/910066053.db2.gz	RMAHFIVJHHOLTP-RDTXWAMCSA-N	1	0	353.426	1.491	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(N)=O)s2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082803604	910229319	/nfs/dbraw/zinc/22/93/19/910229319.db2.gz	MJSHAVQQRDYPKK-IUODEOHRSA-N	1	0	368.462	1.969	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cnn4ccccc34)C[C@H]2C)C1=O	ZINC001082812865	910256155	/nfs/dbraw/zinc/25/61/55/910256155.db2.gz	WIDDYQXLFOPRNU-DJIMGWMZSA-N	1	0	367.453	1.171	20	30		FDEDRO
CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)nn1	ZINC001082828935	910348635	/nfs/dbraw/zinc/34/86/35/910348635.db2.gz	SJXAOIOXERLWCK-CXAGYDPISA-N	1	0	370.432	1.949	20	30		FDEDRO
COCc1nc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)co1	ZINC001082830941	910357548	/nfs/dbraw/zinc/35/75/48/910357548.db2.gz	IULSMKHZNCWRMU-CZUORRHYSA-N	1	0	354.410	1.943	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cc(OC)no2)CC1	ZINC000998147582	910466436	/nfs/dbraw/zinc/46/64/36/910466436.db2.gz	DRTFLXQNMCUERW-WMZOPIPTSA-N	1	0	363.458	1.993	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cncc(F)c2)C1	ZINC001082869076	910511594	/nfs/dbraw/zinc/51/15/94/910511594.db2.gz	NZLHGLRUIJSMGX-RDTXWAMCSA-N	1	0	368.412	1.878	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C(N)=O)c3)C2)cn1	ZINC001082870572	910519427	/nfs/dbraw/zinc/51/94/27/910519427.db2.gz	BEAQQXMVRISSIE-AUUYWEPGSA-N	1	0	362.433	1.412	20	30		FDEDRO
C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CC[C@@H]([NH+]3CCCC3)C2)C1=O	ZINC000727170135	910570938	/nfs/dbraw/zinc/57/09/38/910570938.db2.gz	SAKPENKVATZZEF-XLIONFOSSA-N	1	0	367.453	1.453	20	30		FDEDRO
COc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)cnn1C	ZINC001082886368	910647368	/nfs/dbraw/zinc/64/73/68/910647368.db2.gz	URXSOJBBGWLADJ-SJKOYZFVSA-N	1	0	371.416	1.690	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCN(C(C)=O)C2)C[C@H]1C	ZINC001082888029	910688134	/nfs/dbraw/zinc/68/81/34/910688134.db2.gz	UGLRGYHZGULDJB-LERXQTSPSA-N	1	0	358.280	1.200	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cncn2C)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082893142	910743129	/nfs/dbraw/zinc/74/31/29/910743129.db2.gz	OUXHXLHIQQWRSJ-CXAGYDPISA-N	1	0	357.483	1.923	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)Cc3ccc(F)cc3)C[C@H]2C)C1=O	ZINC001082893572	910746356	/nfs/dbraw/zinc/74/63/56/910746356.db2.gz	LEGLKIYRLKSNBX-FHLIZLRMSA-N	1	0	359.445	1.592	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)Cc3ccccc3OC)C[C@H]2C)C1=O	ZINC001082903790	910795455	/nfs/dbraw/zinc/79/54/55/910795455.db2.gz	GQHHKCWRQCUNEN-BPQIPLTHSA-N	1	0	371.481	1.461	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cncnc3C(C)C)C[C@H]2C)C1=O	ZINC001082926075	910955912	/nfs/dbraw/zinc/95/59/12/910955912.db2.gz	MRTSYFJXTMWKQD-HYVNUMGLSA-N	1	0	371.485	1.437	20	30		FDEDRO
C[C@H](C#N)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2	ZINC000998405254	910972893	/nfs/dbraw/zinc/97/28/93/910972893.db2.gz	QFUSFXSBLXUOBH-ZSGPHXLJSA-N	1	0	354.454	1.770	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3nncn3C2)C[C@H]1C	ZINC001082939087	910998751	/nfs/dbraw/zinc/99/87/51/910998751.db2.gz	AGPQIUJORJLXMD-KGYLQXTDSA-N	1	0	368.279	1.186	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N(C)C2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082944561	911060330	/nfs/dbraw/zinc/06/03/30/911060330.db2.gz	BQZIVWBWTJWUQW-FHLIZLRMSA-N	1	0	354.454	1.363	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C	ZINC001082957777	911142138	/nfs/dbraw/zinc/14/21/38/911142138.db2.gz	JKHBRZBXUWPHHX-RHSMWYFYSA-N	1	0	353.426	1.400	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(N)=O)nc2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082958290	911144857	/nfs/dbraw/zinc/14/48/57/911144857.db2.gz	UARDLIAVFIYALV-BDJLRTHQSA-N	1	0	369.450	1.364	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(F)c[nH]2)C3)CC1	ZINC000998514032	911147642	/nfs/dbraw/zinc/14/76/42/911147642.db2.gz	XSGLHRVTMGOWPZ-RYRKJORJSA-N	1	0	372.444	1.361	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cn(C)nn2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082962166	911186218	/nfs/dbraw/zinc/18/62/18/911186218.db2.gz	UGGBSOATKYYQHN-FZKQIMNGSA-N	1	0	370.432	1.395	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)nc1	ZINC000998659770	911405310	/nfs/dbraw/zinc/40/53/10/911405310.db2.gz	SHLHMAODDBCPCI-NJAFHUGGSA-N	1	0	364.449	1.020	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cccc(C(N)=O)c2)C1	ZINC000998789046	911681162	/nfs/dbraw/zinc/68/11/62/911681162.db2.gz	WQXADLXNEOGKEG-GMNCBBECSA-N	1	0	371.481	1.846	20	30		FDEDRO
C=CC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)C2	ZINC000998932700	911873034	/nfs/dbraw/zinc/87/30/34/911873034.db2.gz	DNVXMKVIMLCTTL-NOZHYTFVSA-N	1	0	373.497	1.310	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)C2CC[NH+](C(C)C)CC2)C1	ZINC000998938944	911908687	/nfs/dbraw/zinc/90/86/87/911908687.db2.gz	ZKBYJJWGUADODA-ROUUACIJSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cnc(C(F)(F)F)nc3)[C@H]2C1	ZINC001083115199	911915075	/nfs/dbraw/zinc/91/50/75/911915075.db2.gz	VLPWDDPPXPJUAA-QWHCGFSZSA-N	1	0	356.348	1.597	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N(C)C2CC([NH2+]Cc3ccc(C#N)s3)C2)O1	ZINC000998983582	911932943	/nfs/dbraw/zinc/93/29/43/911932943.db2.gz	OGDUGZLPIXCRKQ-QROZZAMVSA-N	1	0	362.499	1.418	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3CN(Cc4ccc(C#N)cc4)C[C@@H]32)CC[N@@H+]1C	ZINC001083086116	911957842	/nfs/dbraw/zinc/95/78/42/911957842.db2.gz	AGSSATSCSYTPTB-GEALJGNFSA-N	1	0	368.481	1.310	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC(=O)N(C(CC)CC)C3)[C@H]2C1	ZINC001083097858	911997808	/nfs/dbraw/zinc/99/78/08/911997808.db2.gz	QZHDXAVVKZTPFQ-RYQLBKOJSA-N	1	0	363.502	1.511	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(Cl)c(Cl)n3C)[C@H]2C1	ZINC001083099493	912006896	/nfs/dbraw/zinc/00/68/96/912006896.db2.gz	MEJOWGCQCREOAV-UONOGXRCSA-N	1	0	356.253	1.880	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)CCn3cnc4ccccc43)[C@H]2C1	ZINC001083135809	912176091	/nfs/dbraw/zinc/17/60/91/912176091.db2.gz	SLPOIQTXJAWDOU-RBUKOAKNSA-N	1	0	352.438	1.361	20	30		FDEDRO
CN1C(=O)CC[C@@H]1CC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001084570397	915415034	/nfs/dbraw/zinc/41/50/34/915415034.db2.gz	HVEAALXULNXGAE-GUDVDZBRSA-N	1	0	366.465	1.602	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@H]3CC[N@@H+](C[C@@H](O)Cn4cccn4)C[C@H]32)CC1	ZINC001084631170	915709226	/nfs/dbraw/zinc/70/92/26/915709226.db2.gz	GCBFUZZAUABZGT-GUDVDZBRSA-N	1	0	358.486	1.523	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1	ZINC000729977161	915900566	/nfs/dbraw/zinc/90/05/66/915900566.db2.gz	LLKQGBGLTPAWLU-UHFFFAOYSA-N	1	0	374.441	1.812	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(CO)cc3)C[C@H]21	ZINC001084672905	916067942	/nfs/dbraw/zinc/06/79/42/916067942.db2.gz	ULBJDTXNTMKTKO-WTGUMLROSA-N	1	0	356.466	1.803	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2C(=O)N(C)C)CC1	ZINC000730070415	916075096	/nfs/dbraw/zinc/07/50/96/916075096.db2.gz	YFFCSKMNJPAHAX-UHFFFAOYSA-N	1	0	372.469	1.484	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@H]3CC[N@H+](CCn4cccn4)C[C@H]32)cc1	ZINC001084708858	916393829	/nfs/dbraw/zinc/39/38/29/916393829.db2.gz	XGFNWLWQPQOBHG-UYAOXDASSA-N	1	0	364.449	1.742	20	30		FDEDRO
C#CCCCCCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1	ZINC001065210411	917340291	/nfs/dbraw/zinc/34/02/91/917340291.db2.gz	DCRAYCKLQWIBTI-FGTMMUONSA-N	1	0	363.502	1.254	20	30		FDEDRO
O=c1nc(NN=Cc2ccc(OCC[NH+]3CCCC3)cc2)nc2[nH][nH]cc1-2	ZINC000731154869	917798173	/nfs/dbraw/zinc/79/81/73/917798173.db2.gz	HUHDZDHZUSZBOT-UHFFFAOYSA-N	1	0	367.413	1.353	20	30		FDEDRO
Cn1c2ccccc2sc1=NN=C1CC[NH+](CCN2CCOCC2)CC1	ZINC000731559481	918197947	/nfs/dbraw/zinc/19/79/47/918197947.db2.gz	FQXLKQXCANJJNX-UHFFFAOYSA-N	1	0	373.526	1.925	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ocnc4C)C[C@@H]32)C1=O	ZINC001084912926	918261883	/nfs/dbraw/zinc/26/18/83/918261883.db2.gz	JNLOVYNSGZQLAL-JYJNAYRXSA-N	1	0	358.442	1.306	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N4CCCC4)[C@H]3C2)c1	ZINC001084915049	918279819	/nfs/dbraw/zinc/27/98/19/918279819.db2.gz	YQVJWAHHORLWGU-WBVHZDCISA-N	1	0	355.442	1.045	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)/C=C\c2ccc(NS(C)(=O)=O)cc2)CC1	ZINC000731636389	918295012	/nfs/dbraw/zinc/29/50/12/918295012.db2.gz	BYNWKKIKGWONHM-YVMONPNESA-N	1	0	362.455	1.175	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cc(C)ncn4)C[C@@H]32)C1=O	ZINC001084924351	918340079	/nfs/dbraw/zinc/34/00/79/918340079.db2.gz	YINOUVMXNGFSTG-SZMVWBNQSA-N	1	0	369.469	1.108	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N4CCCC4)[C@H]3C2)c[nH]1	ZINC001084924255	918340420	/nfs/dbraw/zinc/34/04/20/918340420.db2.gz	QCFFRWJFYJOAOH-PBHICJAKSA-N	1	0	355.442	1.045	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]32)C1=O	ZINC001084921548	918363053	/nfs/dbraw/zinc/36/30/53/918363053.db2.gz	FTDRGGLPLLKRDZ-WBAXXEDZSA-N	1	0	367.453	1.210	20	30		FDEDRO
O=C([C@H]1COC(=O)N1)N1CC[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)[C@H]2C1	ZINC001084931549	918473442	/nfs/dbraw/zinc/47/34/42/918473442.db2.gz	ANAKMRZZKBJRNS-NXHRZFHOSA-N	1	0	371.412	1.208	20	30		FDEDRO
Cc1nnc(CC(=O)N2CC[C@H]3CC[N@H+](Cc4cccc(C#N)c4)[C@H]3C2)o1	ZINC001084934668	918530087	/nfs/dbraw/zinc/53/00/87/918530087.db2.gz	PHZXGUVVLVRGSY-MSOLQXFVSA-N	1	0	365.437	1.915	20	30		FDEDRO
Cn1cc(C(=O)N2CC[C@H]3CC[N@H+](Cc4cccc(C#N)c4)[C@H]3C2)nn1	ZINC001084934701	918531582	/nfs/dbraw/zinc/53/15/82/918531582.db2.gz	SDLCLHXQZQHDPC-AEFFLSMTSA-N	1	0	350.426	1.423	20	30		FDEDRO
C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CC[C@H]3CCN(CC#N)[C@H]3C2)CC1	ZINC001084943134	918609094	/nfs/dbraw/zinc/60/90/94/918609094.db2.gz	JDUJVQLUAGSDSU-YSHGAJCASA-N	1	0	360.502	1.180	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc([C@H]4CCCN4C)[nH]n3)C[C@@H]21	ZINC001084946440	918660243	/nfs/dbraw/zinc/66/02/43/918660243.db2.gz	LJBOCAJHURJONR-LZQZEXGQSA-N	1	0	355.486	1.736	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cn(-c4cccnc4)nn3)C[C@@H]21	ZINC001084954095	918760637	/nfs/dbraw/zinc/76/06/37/918760637.db2.gz	MCSHCBOWGNYEJK-QAPCUYQASA-N	1	0	350.426	1.222	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CC[N@H+](C)C2)c1	ZINC000731895990	918764931	/nfs/dbraw/zinc/76/49/31/918764931.db2.gz	FGGNMFSPQZPWAJ-OOESYIKTSA-N	1	0	364.471	1.390	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3cccnc3)[C@H]2C1	ZINC001084961136	918907006	/nfs/dbraw/zinc/90/70/06/918907006.db2.gz	NCWAZKUSPYHPIL-AABGKKOBSA-N	1	0	352.482	1.602	20	30		FDEDRO
C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3coc(S(N)(=O)=O)c3)C[C@@H]21	ZINC001084974654	919037180	/nfs/dbraw/zinc/03/71/80/919037180.db2.gz	NIGBQILXAKQEPK-OCCSQVGLSA-N	1	0	353.444	1.040	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C[C@@H]21	ZINC001084978537	919063480	/nfs/dbraw/zinc/06/34/80/919063480.db2.gz	XISXRBXAUIBGLD-AYBZRNKSSA-N	1	0	366.465	1.507	20	30		FDEDRO
C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N	ZINC000732200662	919241338	/nfs/dbraw/zinc/24/13/38/919241338.db2.gz	HFUQFIKOGSAANG-NFAWXSAZSA-N	1	0	363.421	1.809	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCNC3=O)C[C@@H]21	ZINC001085005026	919504095	/nfs/dbraw/zinc/50/40/95/919504095.db2.gz	CLXLLWHCNXYISG-JLSDUUJJSA-N	1	0	352.438	1.117	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(C)nc3C)[C@H]2C1	ZINC001085037350	919962897	/nfs/dbraw/zinc/96/28/97/919962897.db2.gz	ALIWEQLHBJTVJG-YSHGAJCASA-N	1	0	358.486	1.742	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn(C)nc3C(F)(F)F)C[C@@H]21	ZINC001085044155	920006808	/nfs/dbraw/zinc/00/68/08/920006808.db2.gz	CUXOADGTAGBFCX-OCCSQVGLSA-N	1	0	354.376	1.999	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cnccc4C)[C@H]3C2)nn1	ZINC001085051772	920098223	/nfs/dbraw/zinc/09/82/23/920098223.db2.gz	HWJZBPKBZDLZDV-APWZRJJASA-N	1	0	366.469	1.904	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)C[C@H]4CCC(=O)N4)C[C@@H]32)c1	ZINC001085055612	920183351	/nfs/dbraw/zinc/18/33/51/920183351.db2.gz	QTTXEPQOZQXISF-QRVBRYPASA-N	1	0	366.465	1.650	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)C[C@H]4CCC(=O)N4)C[C@@H]32)cc1	ZINC001085055716	920184907	/nfs/dbraw/zinc/18/49/07/920184907.db2.gz	VNYSWVRNSUOQRP-QRVBRYPASA-N	1	0	366.465	1.650	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4oncc4C)C[C@@H]32)C1=O	ZINC001085067758	920381218	/nfs/dbraw/zinc/38/12/18/920381218.db2.gz	PPUARRXSHLKGNY-JYJNAYRXSA-N	1	0	358.442	1.306	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCCS(=O)(=O)C3)C[C@@H]21	ZINC001085069605	920437250	/nfs/dbraw/zinc/43/72/50/920437250.db2.gz	WQYQVRHOODFBIM-ZACQAIPSSA-N	1	0	354.516	1.700	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](CCN4CCCC4=O)[C@H]3C2)nc1	ZINC001085078334	920542175	/nfs/dbraw/zinc/54/21/75/920542175.db2.gz	NTOWYIWOYRNIFE-MJGOQNOKSA-N	1	0	366.465	1.222	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000733158383	920701464	/nfs/dbraw/zinc/70/14/64/920701464.db2.gz	IWIVRZBRFUMUQH-KRWDZBQOSA-N	1	0	373.453	1.705	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C[NH+](C)C)C(C)C)cc1	ZINC000733166863	920716348	/nfs/dbraw/zinc/71/63/48/920716348.db2.gz	SARSEWHYQXJQKC-INIZCTEOSA-N	1	0	353.488	1.467	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c(c3)[nH]c(=O)n4C)C[C@@H]21	ZINC001085101541	920926105	/nfs/dbraw/zinc/92/61/05/920926105.db2.gz	PJQIKMNYYHJTIK-KDOFPFPSSA-N	1	0	352.438	1.839	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)c3c(OC)ncnc3OC)C[C@@H]21	ZINC001085105818	920978802	/nfs/dbraw/zinc/97/88/02/920978802.db2.gz	IGPWSIGYVXHIHP-CABCVRRESA-N	1	0	360.458	1.996	20	30		FDEDRO
COc1cncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C#N)c[nH]2)n1	ZINC001085162553	921904888	/nfs/dbraw/zinc/90/48/88/921904888.db2.gz	SPZNBQNFUKRVFK-HUUCEWRRSA-N	1	0	354.414	1.516	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C#N)c[nH]1)C(=O)N1CCCCC1	ZINC001085162439	921905172	/nfs/dbraw/zinc/90/51/72/921905172.db2.gz	PJUJANWKOPFYNO-USXIJHARSA-N	1	0	371.485	1.918	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2cc(C)[nH]n2)C1=O	ZINC001085166753	921961189	/nfs/dbraw/zinc/96/11/89/921961189.db2.gz	QKJNEWJGXYCBIX-ZACQAIPSSA-N	1	0	359.474	1.065	20	30		FDEDRO
C=CCOCC(=O)N1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1	ZINC001066218689	922616141	/nfs/dbraw/zinc/61/61/41/922616141.db2.gz	MLIYOEARJFCBBD-YESZJQIVSA-N	1	0	351.491	1.417	20	30		FDEDRO
C[C@@](C#N)(NC(=O)C[NH2+][C@@]1(CO)CCCN(Cc2ccccc2)C1)C1CC1	ZINC000733998628	922821166	/nfs/dbraw/zinc/82/11/66/922821166.db2.gz	AJNAZKFIRAQUBM-SFTDATJTSA-N	1	0	370.497	1.412	20	30		FDEDRO
CCN1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)CC1=O	ZINC001085216377	922848774	/nfs/dbraw/zinc/84/87/74/922848774.db2.gz	NWLLSARNOGJMPN-GUDVDZBRSA-N	1	0	368.481	1.944	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[C@H]2CCC(=O)NC2)cc1	ZINC001085222899	922929052	/nfs/dbraw/zinc/92/90/52/922929052.db2.gz	PIXMLFNJHDMLBQ-GUDVDZBRSA-N	1	0	368.481	1.992	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1	ZINC000734671566	923612551	/nfs/dbraw/zinc/61/25/51/923612551.db2.gz	RNMNITUZOTUKJM-IBGZPJMESA-N	1	0	370.497	1.620	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1	ZINC000734671573	923613245	/nfs/dbraw/zinc/61/32/45/923613245.db2.gz	RNMNITUZOTUKJM-LJQANCHMSA-N	1	0	370.497	1.620	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21	ZINC001085303033	923684497	/nfs/dbraw/zinc/68/44/97/923684497.db2.gz	QTZJIUNUXQBAHJ-LYYGHALDSA-N	1	0	369.465	1.976	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(=O)cn2)c(F)c1	ZINC001085312584	923721166	/nfs/dbraw/zinc/72/11/66/923721166.db2.gz	MWMLVDAJFBGNAE-HZPDHXFCSA-N	1	0	369.400	1.611	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cn(C)c(=O)[nH]1	ZINC001085320703	923850568	/nfs/dbraw/zinc/85/05/68/923850568.db2.gz	MBZBARXIKZDTGI-GHMZBOCLSA-N	1	0	357.252	1.665	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCn2cncn2)cc1	ZINC001085356220	924157846	/nfs/dbraw/zinc/15/78/46/924157846.db2.gz	MJVUQJZWJGJHHE-RTBURBONSA-N	1	0	367.453	1.621	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CC(C)(C)CO2)nn1	ZINC001085356605	924178921	/nfs/dbraw/zinc/17/89/21/924178921.db2.gz	HBVWLNUAKOHNPL-BZUAXINKSA-N	1	0	361.490	1.910	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1nnc[nH]1	ZINC001085368458	924270267	/nfs/dbraw/zinc/27/02/67/924270267.db2.gz	WOSFURLYFKOPGD-HUUCEWRRSA-N	1	0	354.414	1.516	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c(C)n[nH]c2C)C1=O	ZINC001085365995	924279872	/nfs/dbraw/zinc/27/98/72/924279872.db2.gz	ZLVUJKVBFQURPV-OAGGEKHMSA-N	1	0	359.474	1.444	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC1=O	ZINC001085389119	924402864	/nfs/dbraw/zinc/40/28/64/924402864.db2.gz	SDISOGMJFVXGKO-KFWWJZLASA-N	1	0	358.442	1.166	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(CC)C1=O	ZINC001085406421	924484627	/nfs/dbraw/zinc/48/46/27/924484627.db2.gz	FJHXPMMXTZCQNW-AQNXPRMDSA-N	1	0	367.493	1.848	20	30		FDEDRO
CCN1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)C1	ZINC001085429340	924644162	/nfs/dbraw/zinc/64/41/62/924644162.db2.gz	OJABVRSTTJJROI-AQNXPRMDSA-N	1	0	370.497	1.796	20	30		FDEDRO
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2CC[N@H+](CCOC)C2)c1	ZINC000736660062	924867819	/nfs/dbraw/zinc/86/78/19/924867819.db2.gz	VMIMWPSLHWHWDK-SJORKVTESA-N	1	0	360.458	1.887	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccn(C)c(=O)c1	ZINC001085600212	924954588	/nfs/dbraw/zinc/95/45/88/924954588.db2.gz	MWYUSIADCYVMGC-KSZLIROESA-N	1	0	359.470	1.399	20	30		FDEDRO
C=CCn1c(C)nn(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)c1=S	ZINC000738155148	925124693	/nfs/dbraw/zinc/12/46/93/925124693.db2.gz	CDVIDZVSGPKKND-UHFFFAOYSA-N	1	0	364.519	1.106	20	30		FDEDRO
CCCCCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1	ZINC001108216522	925349977	/nfs/dbraw/zinc/34/99/77/925349977.db2.gz	DTAFKYKGMXKBGE-SQGPQFPESA-N	1	0	367.534	1.888	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2=O)CC1	ZINC000740735795	925419795	/nfs/dbraw/zinc/41/97/95/925419795.db2.gz	PSNNYMWTKCOEMO-SFHVURJKSA-N	1	0	357.429	1.783	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)Cn2cnc3c(C)cccc3c2=O)CC1	ZINC000740738772	925430243	/nfs/dbraw/zinc/43/02/43/925430243.db2.gz	MBAXGDRYAFKQQH-UHFFFAOYSA-N	1	0	352.438	1.309	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1	ZINC000740882674	925484420	/nfs/dbraw/zinc/48/44/20/925484420.db2.gz	FYCVHDNRUDJMDM-LSDHHAIUSA-N	1	0	352.479	1.984	20	30		FDEDRO
CC[N@@H+]1CCC(N=Nc2ccc(S(=O)(=O)N3CCCC3)cn2)[C@@H](C)C1	ZINC000741459501	925775846	/nfs/dbraw/zinc/77/58/46/925775846.db2.gz	BUVVCXMZRVOVCU-AWEZNQCLSA-N	1	0	365.503	1.996	20	30		FDEDRO
N#CCOc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@]34C[C@H]3COC4)C2)cc1	ZINC001086091815	925956195	/nfs/dbraw/zinc/95/61/95/925956195.db2.gz	OOFKWZVURCDORG-LJCCNALRSA-N	1	0	355.438	1.610	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CCNc3ccncc3C#N)C2)CC[N@@H+]1C	ZINC001066393367	925968000	/nfs/dbraw/zinc/96/80/00/925968000.db2.gz	HWXACIPRVVTBPR-HHXXYDBFSA-N	1	0	355.486	1.756	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1	ZINC001086110166	926033879	/nfs/dbraw/zinc/03/38/79/926033879.db2.gz	WMEGMLYWPVGFOS-ZKNMIIFVSA-N	1	0	361.417	1.486	20	30		FDEDRO
C[NH+](C)CCCNC(=O)CC1S/C(=N/CCc2cccs2)NC1=O	ZINC000743277189	926307262	/nfs/dbraw/zinc/30/72/62/926307262.db2.gz	LFVSESMGVWIARQ-ZDUSSCGKSA-N	1	0	368.528	1.336	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cnn3ccccc23)[C@@H](n2ccnn2)C1	ZINC001129327712	926332318	/nfs/dbraw/zinc/33/23/18/926332318.db2.gz	YUWKZSCGEAOPGD-AEFFLSMTSA-N	1	0	365.441	1.547	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)Cn2cc(C(N)=O)c3ccccc32)CC1	ZINC000743492061	926378482	/nfs/dbraw/zinc/37/84/82/926378482.db2.gz	OSRFGYDRSIHDEI-UHFFFAOYSA-N	1	0	352.438	1.344	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)CC1	ZINC000743493302	926378947	/nfs/dbraw/zinc/37/89/47/926378947.db2.gz	MRJYPZOCTFTMGA-UHFFFAOYSA-N	1	0	353.422	1.558	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1	ZINC001066456756	926387534	/nfs/dbraw/zinc/38/75/34/926387534.db2.gz	RYTUYOUAFKHOCK-BBWFWOEESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@]1(C)C[N@H+](CCCCOC)CCO1	ZINC001108271386	927079058	/nfs/dbraw/zinc/07/90/58/927079058.db2.gz	VRPRCFZZJYZWLH-CMKODMSKSA-N	1	0	368.518	1.991	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2COCCN2c2cc(C)ncc2C#N)CC[N@@H+]1C	ZINC001066527040	927149763	/nfs/dbraw/zinc/14/97/63/927149763.db2.gz	RJGXPDKGIXHVCF-OKZBNKHCSA-N	1	0	371.485	1.313	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCN(C(C)(C)C)C2=O)C1	ZINC001086483041	927537693	/nfs/dbraw/zinc/53/76/93/927537693.db2.gz	IYSHYIYYDIMJNS-MTSZKFMLSA-N	1	0	363.502	1.461	20	30		FDEDRO
N#CCn1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cn1	ZINC000746404810	927950071	/nfs/dbraw/zinc/95/00/71/927950071.db2.gz	FOFNYYADZUAJJI-QGZVFWFLSA-N	1	0	366.425	1.126	20	30		FDEDRO
CC[NH+](CC)CCN(C(=O)c1coc(C#N)c1)[C@H]1CCS(=O)(=O)C1	ZINC000866988005	928364404	/nfs/dbraw/zinc/36/44/04/928364404.db2.gz	LORDGVLCSTVBGV-AWEZNQCLSA-N	1	0	353.444	1.122	20	30		FDEDRO
C=CCOC(=O)N1CCC2(C[NH+]([C@H]3CC[C@@H](C(=O)OCC)OC3)C2)CC1	ZINC001169368759	928477000	/nfs/dbraw/zinc/47/70/00/928477000.db2.gz	SYMNLVFHQJJTFP-HOTGVXAUSA-N	1	0	366.458	1.818	20	30		FDEDRO
C=CCOC(=O)N1CC2(C1)CC[NH+]([C@@H]1CC[C@@H](C(=O)OCC)OC1)CC2	ZINC001169367876	928477031	/nfs/dbraw/zinc/47/70/31/928477031.db2.gz	QEWHERRTWILHBT-CVEARBPZSA-N	1	0	366.458	1.818	20	30		FDEDRO
C=CCN1CC[C@]2(CCC[N@@H+]([C@H]3CC[C@@H](C(=O)OCC)OC3)C2)C1=O	ZINC001169389872	928533271	/nfs/dbraw/zinc/53/32/71/928533271.db2.gz	TXVINJZTJIVTHT-BXWFABGCSA-N	1	0	350.459	1.598	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CCCc2cccnc2)[C@@H](n2ccnn2)C1	ZINC001129353282	929026687	/nfs/dbraw/zinc/02/66/87/929026687.db2.gz	JCFOIGYEIUCMLB-MSOLQXFVSA-N	1	0	352.442	1.061	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3nc[nH]c3C2)[C@@H](n2ccnn2)C1	ZINC001129375924	929628009	/nfs/dbraw/zinc/62/80/09/929628009.db2.gz	LYRPUJSDHHTIHR-OLMNPRSZSA-N	1	0	369.473	1.114	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccnn1C	ZINC001109566851	929794597	/nfs/dbraw/zinc/79/45/97/929794597.db2.gz	VKOYTJWDWIPGAM-LXZJYRNTSA-N	1	0	360.502	1.913	20	30		FDEDRO
CCOC(=O)CNC(=O)C1CC[NH+](Cc2ccc(O[C@H](C)C#N)cc2)CC1	ZINC000770358564	929970998	/nfs/dbraw/zinc/97/09/98/929970998.db2.gz	CGKMEWPEDWFVBP-OAHLLOKOSA-N	1	0	373.453	1.869	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3[nH]c(=O)[nH]c3n1)C2	ZINC001109644563	929996129	/nfs/dbraw/zinc/99/61/29/929996129.db2.gz	BURWNCFMNIBLPG-UGFHNGPFSA-N	1	0	357.414	1.201	20	30		FDEDRO
C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](O)COCCOC)CCC1	ZINC001109683720	930124590	/nfs/dbraw/zinc/12/45/90/930124590.db2.gz	YXZGEPHYQGTDLU-OWSLCNJRSA-N	1	0	366.502	1.478	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1C(=O)CNC1=O	ZINC001109679028	930136302	/nfs/dbraw/zinc/13/63/02/930136302.db2.gz	PJJGEMRCZKHMPU-MMMWYMCRSA-N	1	0	362.474	1.252	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000770805331	930266294	/nfs/dbraw/zinc/26/62/94/930266294.db2.gz	IATWZRWOONOFLS-OAHLLOKOSA-N	1	0	366.483	1.827	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O	ZINC000770804102	930266390	/nfs/dbraw/zinc/26/63/90/930266390.db2.gz	AQGHCQSDAPQJIK-HUUCEWRRSA-N	1	0	363.458	1.516	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH]cn1)C2	ZINC001109762899	930356736	/nfs/dbraw/zinc/35/67/36/930356736.db2.gz	GLWMUTUWATZRGI-RANZSIQMSA-N	1	0	373.501	1.487	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)N(C)C	ZINC001109767600	930366492	/nfs/dbraw/zinc/36/64/92/930366492.db2.gz	BVALAVAELWTTAP-PMPSAXMXSA-N	1	0	371.547	1.592	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CN1CCCC1=O	ZINC001109769804	930370724	/nfs/dbraw/zinc/37/07/24/930370724.db2.gz	VKJJQIRWUCKKII-NCOADZHNSA-N	1	0	363.502	1.294	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COC2CCOCC2)C3)cc1	ZINC001109782981	930406277	/nfs/dbraw/zinc/40/62/77/930406277.db2.gz	XZDYPYSYBUVGBH-HOJAQTOUSA-N	1	0	369.465	1.975	20	30		FDEDRO
CC(=NNC[C@@H](C)C#N)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1	ZINC000771097596	930452885	/nfs/dbraw/zinc/45/28/85/930452885.db2.gz	IFRNDPLIOXYOJJ-AWEZNQCLSA-N	1	0	365.503	1.390	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCOC	ZINC001109806326	930468153	/nfs/dbraw/zinc/46/81/53/930468153.db2.gz	WWEJBAOMZFKVCD-XDNAFOTISA-N	1	0	351.491	1.605	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](O)COC)cc1	ZINC001109811751	930509622	/nfs/dbraw/zinc/50/96/22/930509622.db2.gz	UWRNMZWBPLMTTL-FPAYPSAMSA-N	1	0	358.438	1.041	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1COC(=O)[C@H]1CC(=O)N(c2c(F)cccc2F)C1	ZINC000771286942	930549362	/nfs/dbraw/zinc/54/93/62/930549362.db2.gz	HXTLONLJUCPBDX-KBPBESRZSA-N	1	0	362.376	1.959	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCc1nc(CC)no1)C2	ZINC001109959653	930882218	/nfs/dbraw/zinc/88/22/18/930882218.db2.gz	UYVUKPJBRNQSON-ILXRZTDVSA-N	1	0	364.446	1.073	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](O)COCC(C)C)cn1	ZINC001110001350	931011569	/nfs/dbraw/zinc/01/15/69/931011569.db2.gz	XUXDHZCGLPZCHE-FYQPLNBISA-N	1	0	371.481	1.432	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)NCCO[C@@H]2CCCC[C@H]2C)CC1	ZINC000772122120	931087559	/nfs/dbraw/zinc/08/75/59/931087559.db2.gz	QKPRBEPLMSTWRO-SJLPKXTDSA-N	1	0	364.486	1.586	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)n1	ZINC001090433768	931140724	/nfs/dbraw/zinc/14/07/24/931140724.db2.gz	YTHCACGGFMDYPG-KURKYZTESA-N	1	0	371.485	1.048	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)C1CCCCC1)C2	ZINC001110062428	931319533	/nfs/dbraw/zinc/31/95/33/931319533.db2.gz	VZZWRNWZZWYSOO-SQNIBIBYSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1nc(C)oc1C)C2	ZINC001112550606	931460399	/nfs/dbraw/zinc/46/03/99/931460399.db2.gz	FHOZGRXVXNRBPW-KXBFYZLASA-N	1	0	360.458	1.426	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn3nccc3nc1C)C2	ZINC001112554351	931519479	/nfs/dbraw/zinc/51/94/79/931519479.db2.gz	NINNFDVJEIZJIY-JXFKEZNVSA-N	1	0	351.454	1.893	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn(CC3CC3)nn1)C2	ZINC001112552905	931530499	/nfs/dbraw/zinc/53/04/99/931530499.db2.gz	VGGVYLVJINUVLJ-PXNSSMCTSA-N	1	0	371.485	1.170	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1oncc1C)C2	ZINC001112556246	931538504	/nfs/dbraw/zinc/53/85/04/931538504.db2.gz	IWSVZWHTUXKZCI-DOXZYTNZSA-N	1	0	360.458	1.506	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)N1CC[C@@H](C)C1)C2	ZINC001112559844	931566123	/nfs/dbraw/zinc/56/61/23/931566123.db2.gz	RXTCYBRKQJDIPK-XUWXXGDYSA-N	1	0	353.894	1.826	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1nc3cc[nH]cc-3n1)C2	ZINC001112558400	931578487	/nfs/dbraw/zinc/57/84/87/931578487.db2.gz	FQCUZSSPIFJWRK-YWZLYKJASA-N	1	0	351.454	1.742	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccnc3nc(C)nn31)C2	ZINC001112562625	931595944	/nfs/dbraw/zinc/59/59/44/931595944.db2.gz	HFAJMCLEPNHDIG-KXBFYZLASA-N	1	0	354.458	1.841	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CS(=O)(=O)C(C)(C)C)C2	ZINC001112564036	931606915	/nfs/dbraw/zinc/60/69/15/931606915.db2.gz	AIOPUGUCUKLABN-YJBOKZPZSA-N	1	0	354.516	1.441	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)C2	ZINC001112564423	931607612	/nfs/dbraw/zinc/60/76/12/931607612.db2.gz	SOZHVZMLQLKQJS-KHYOSLBOSA-N	1	0	350.507	1.864	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCCC)C2)nc1	ZINC001112565685	931614635	/nfs/dbraw/zinc/61/46/35/931614635.db2.gz	NQTQDZUPBCDVOO-UWJYYQICSA-N	1	0	368.481	1.421	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC(=O)N1)C2	ZINC001112565986	931616759	/nfs/dbraw/zinc/61/67/59/931616759.db2.gz	DJFJVOIUFMHHRD-XEZPLFJOSA-N	1	0	370.291	1.392	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[C@H](C)CC1)C2	ZINC001112566442	931621365	/nfs/dbraw/zinc/62/13/65/931621365.db2.gz	DUSFJSDHSLVJBT-NTLWEQJWSA-N	1	0	359.514	1.780	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)COc2ccsc2)[C@@H](n2ccnn2)C1	ZINC001129393324	931660942	/nfs/dbraw/zinc/66/09/42/931660942.db2.gz	IOPGLBNHPLVBHK-CVEARBPZSA-N	1	0	361.471	1.726	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)C1CCCCC1)C2	ZINC001112573426	931675984	/nfs/dbraw/zinc/67/59/84/931675984.db2.gz	BUSLLXOMPQZFPI-RXVVDRJESA-N	1	0	359.514	1.925	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)c1ccc(F)cc1)C2	ZINC001112573934	931679851	/nfs/dbraw/zinc/67/98/51/931679851.db2.gz	FBXJHLWTKCXPIX-UWJYYQICSA-N	1	0	371.456	1.797	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1c(=O)oc3ccccc31)C2	ZINC001112576862	931689069	/nfs/dbraw/zinc/68/90/69/931689069.db2.gz	MQOMWYDMGXTQOW-YWZLYKJASA-N	1	0	355.438	1.999	20	30		FDEDRO
Cc1ccccc1[C@H]([C@@H](C)NC(=O)C(=O)Nc1cnn(CC#N)c1)[NH+](C)C	ZINC000786025425	931692569	/nfs/dbraw/zinc/69/25/69/931692569.db2.gz	MWUVJYYHIQHKDH-PBHICJAKSA-N	1	0	368.441	1.461	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CS(=O)(=O)NC(C)(C)C)C2	ZINC001112581209	931743300	/nfs/dbraw/zinc/74/33/00/931743300.db2.gz	BOLYOWWFECWPQF-YOEHRIQHSA-N	1	0	357.520	1.109	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1COCCN1C(C)=O)C2	ZINC001112581776	931746050	/nfs/dbraw/zinc/74/60/50/931746050.db2.gz	NAUBOHRCXNGJBA-BQFCYCMXSA-N	1	0	369.893	1.205	20	30		FDEDRO
CN(C(=O)COC(=O)CC1([NH+]2CCOCC2)CCCC1)C(C)(C)C#N	ZINC000786098372	931749457	/nfs/dbraw/zinc/74/94/57/931749457.db2.gz	BCROTJPQAIOZMK-UHFFFAOYSA-N	1	0	351.447	1.325	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCN(C(=O)CCC)C1)C2	ZINC001112583655	931757078	/nfs/dbraw/zinc/75/70/78/931757078.db2.gz	CUGUHEAYYZVZHS-LQWHRVPQSA-N	1	0	359.514	1.877	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc3c(c1)[nH]c(=O)n3C)C2	ZINC001112586077	931770985	/nfs/dbraw/zinc/77/09/85/931770985.db2.gz	GJBULJBSERBIHI-YWZLYKJASA-N	1	0	352.438	1.744	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc3[nH]c(=O)n(C)c3c1)C2	ZINC001112593278	931850139	/nfs/dbraw/zinc/85/01/39/931850139.db2.gz	GKIBJAJTLPXZSL-YWZLYKJASA-N	1	0	352.438	1.744	20	30		FDEDRO
CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)C1	ZINC000786785599	932033164	/nfs/dbraw/zinc/03/31/64/932033164.db2.gz	PAKAGPPYLCCXFG-ILXRZTDVSA-N	1	0	350.463	1.784	20	30		FDEDRO
S=C(NC[C@H]1CCCO1)NN=C1CCOC[C@H]1C[NH+]1CCCCC1	ZINC000787150275	932197594	/nfs/dbraw/zinc/19/75/94/932197594.db2.gz	LZKRTESGHMSTCR-HUUCEWRRSA-N	1	0	354.520	1.508	20	30		FDEDRO
c1cc(N2CCOCC2)nc(N=NC2CCOC[C@H]2C[NH+]2CCCCC2)n1	ZINC000787162387	932205232	/nfs/dbraw/zinc/20/52/32/932205232.db2.gz	KEDXWRRBYOVHSK-MRXNPFEDSA-N	1	0	374.489	1.604	20	30		FDEDRO
c1cc(N2CCOCC2)nc(N=NC2CCOC[C@@H]2C[NH+]2CCCCC2)n1	ZINC000787162384	932205350	/nfs/dbraw/zinc/20/53/50/932205350.db2.gz	KEDXWRRBYOVHSK-INIZCTEOSA-N	1	0	374.489	1.604	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1	ZINC000787206271	932224105	/nfs/dbraw/zinc/22/41/05/932224105.db2.gz	QMUWQZPAUZJREG-KBPBESRZSA-N	1	0	350.463	1.784	20	30		FDEDRO
Cc1ccnc(C#N)c1N(CC[NH3+])S(=O)(=O)c1cccc2cnccc21	ZINC001170075626	932338798	/nfs/dbraw/zinc/33/87/98/932338798.db2.gz	CNCYUTIIRZTUTO-UHFFFAOYSA-N	1	0	367.434	1.964	20	30		FDEDRO
C[C@@H](C#N)CN(C)CN1C(=O)N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O	ZINC000746706458	932382240	/nfs/dbraw/zinc/38/22/40/932382240.db2.gz	XDGMMWHXYRKPGL-OXJNMPFZSA-N	1	0	369.469	1.622	20	30		FDEDRO
C=CCN(C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)C(C)C	ZINC000787740090	932403676	/nfs/dbraw/zinc/40/36/76/932403676.db2.gz	WGNWKZUNNYWZLC-IBGZPJMESA-N	1	0	372.513	1.514	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)NCCCC[NH+]1CCOCC1)c1ccncc1	ZINC000787895609	932478660	/nfs/dbraw/zinc/47/86/60/932478660.db2.gz	RYPMMUPKDVTBOP-KRWDZBQOSA-N	1	0	360.458	1.044	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1ccc(C[NH+](CC)CC)cc1)[C@@H]1CCCO1	ZINC000787895515	932478856	/nfs/dbraw/zinc/47/88/56/932478856.db2.gz	KNTWGLOXYLBJAO-MSOLQXFVSA-N	1	0	357.454	1.764	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c(=O)oc3ccccc31)C2	ZINC001110084711	932529263	/nfs/dbraw/zinc/52/92/63/932529263.db2.gz	MFOQKKSQYYPKHJ-PMPSAXMXSA-N	1	0	371.437	1.519	20	30		FDEDRO
COc1ccc(C[NH2+]Cc2c(C)nn(C)c2N2CCOCC2)cc1C#N	ZINC000746734084	932606452	/nfs/dbraw/zinc/60/64/52/932606452.db2.gz	NLHLLQYXFRSSGJ-UHFFFAOYSA-N	1	0	355.442	1.735	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccncc1	ZINC000788241335	932614037	/nfs/dbraw/zinc/61/40/37/932614037.db2.gz	FLMNXSLFHQDBJS-QAPCUYQASA-N	1	0	362.499	1.369	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1	ZINC000746804353	933017785	/nfs/dbraw/zinc/01/77/85/933017785.db2.gz	UNBGWXMSJUIDOA-KRWDZBQOSA-N	1	0	369.465	1.827	20	30		FDEDRO
C[Si](C)(C)C#C[NH2+]CCN1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC001170106941	933033921	/nfs/dbraw/zinc/03/39/21/933033921.db2.gz	FPTHALKJCYCYDA-UHFFFAOYSA-N	1	0	365.575	1.421	20	30		FDEDRO
C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cccc(C)c2=O)C1	ZINC001086588332	933608806	/nfs/dbraw/zinc/60/88/06/933608806.db2.gz	PVODRWIRTODVKZ-RBUKOAKNSA-N	1	0	351.450	1.927	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)C1	ZINC001086590887	933711428	/nfs/dbraw/zinc/71/14/28/933711428.db2.gz	GEDNUESTUDZGOC-RYQLBKOJSA-N	1	0	367.449	1.131	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnc3n[nH]nc3c2)C1	ZINC001086592751	933814757	/nfs/dbraw/zinc/81/47/57/933814757.db2.gz	GLDOMDJPGLYDSG-FUHWJXTLSA-N	1	0	360.421	1.574	20	30		FDEDRO
CC[NH+](CC)CC(=O)Nn1c(C)c(Br)c(C)c(C#N)c1=O	ZINC000791171112	933907688	/nfs/dbraw/zinc/90/76/88/933907688.db2.gz	MGIDUQLVRLEMHF-UHFFFAOYSA-N	1	0	355.236	1.511	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN([C@@H](C)C(N)=O)C[C@H]2c2ccccc2)cc1	ZINC001086602488	934153844	/nfs/dbraw/zinc/15/38/44/934153844.db2.gz	BVLQMYMROZZOIP-RYGJVYDSSA-N	1	0	361.445	1.740	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1nc3ncccn3n1)C2	ZINC001110101361	934266731	/nfs/dbraw/zinc/26/67/31/934266731.db2.gz	LXYRSNCHGQCQFO-FZKCQIBNSA-N	1	0	354.458	1.743	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NC2(C[NH+](C)C)CCC2)s1	ZINC000822661843	945130770	/nfs/dbraw/zinc/13/07/70/945130770.db2.gz	ZDYMEDTYAGERSS-UHFFFAOYSA-N	1	0	371.528	1.355	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2CCC(=O)NC2=O)C1	ZINC001086618268	938341167	/nfs/dbraw/zinc/34/11/67/938341167.db2.gz	AOOIMEZOGXRIAZ-DLBZAZTESA-N	1	0	370.453	1.089	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCc3n[nH]nc3C2)C1	ZINC001086619907	938358151	/nfs/dbraw/zinc/35/81/51/938358151.db2.gz	NMWATKAYGXGRJI-ABSDTBQOSA-N	1	0	363.465	1.517	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCN(C(C)=O)C2)C1	ZINC001086621827	938381871	/nfs/dbraw/zinc/38/18/71/938381871.db2.gz	QGTDPLJMFKOVQK-HSALFYBXSA-N	1	0	353.466	1.462	20	30		FDEDRO
C=CCOCCN1C[C@@H](NC(=O)c2ccc(C)cc2C)[C@@H](n2ccnn2)C1	ZINC001129411930	938407198	/nfs/dbraw/zinc/40/71/98/938407198.db2.gz	FUASCOBFMINDSP-MOPGFXCFSA-N	1	0	369.469	1.753	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)COc2cccc(CC)c2)[C@@H](n2ccnn2)C1	ZINC001129422885	938412556	/nfs/dbraw/zinc/41/25/56/938412556.db2.gz	YXEIFHRCUHHXGE-MOPGFXCFSA-N	1	0	367.453	1.284	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccc(C)nc2C)[C@@H](n2ccnn2)C1	ZINC001129449348	938420007	/nfs/dbraw/zinc/42/00/07/938420007.db2.gz	LYBDFCMJRVZICW-MSOLQXFVSA-N	1	0	354.458	1.911	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CCOc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129433520	938423054	/nfs/dbraw/zinc/42/30/54/938423054.db2.gz	DGGJJSFBBPMHRE-MSOLQXFVSA-N	1	0	353.426	1.112	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)COc2ccc(C)cc2C)[C@@H](n2ccnn2)C1	ZINC001129433670	938423680	/nfs/dbraw/zinc/42/36/80/938423680.db2.gz	LGCUISAAVNGORM-MSOLQXFVSA-N	1	0	369.469	1.892	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2nc(C)c(C)s2)[C@@H](n2ccnn2)C1	ZINC001129438608	938425601	/nfs/dbraw/zinc/42/56/01/938425601.db2.gz	XPIYPCBALIKFNZ-CABCVRRESA-N	1	0	360.487	1.973	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ncc3n2CCCC3)[C@@H](n2ccnn2)C1	ZINC001129441107	938426590	/nfs/dbraw/zinc/42/65/90/938426590.db2.gz	MTZSGYUXTOFTKK-SJORKVTESA-N	1	0	369.473	1.432	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)OCCOCC)[C@@H](n2ccnn2)C1	ZINC001129470584	938430332	/nfs/dbraw/zinc/43/03/32/938430332.db2.gz	LLQMFJNNSFHBBQ-ZACQAIPSSA-N	1	0	365.478	1.027	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1C[N@@H+](CC/C=C/CCC)C[C@@H]1n1ccnn1	ZINC001129477057	938433074	/nfs/dbraw/zinc/43/30/74/938433074.db2.gz	XNEOFNNMBHRHBY-YQJUVHNHSA-N	1	0	361.490	1.959	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)CC(F)(F)C(F)(F)F)[C@@H](n2ccnn2)C1	ZINC001129490896	938442899	/nfs/dbraw/zinc/44/28/99/938442899.db2.gz	UCZPPEKSUVMIIE-MNOVXSKESA-N	1	0	367.322	1.783	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)CCc2cncc(F)c2)[C@@H](n2ccnn2)C1	ZINC001129495978	938443779	/nfs/dbraw/zinc/44/37/79/938443779.db2.gz	BYUKEBMSTIVSFQ-SJORKVTESA-N	1	0	358.421	1.363	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CCN(C(N)=O)CC2)C1	ZINC001086622939	938445824	/nfs/dbraw/zinc/44/58/24/938445824.db2.gz	AXJFALLUXAZDNU-RBUKOAKNSA-N	1	0	368.481	1.385	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2snnc2C)C[C@@H]1n1ccnn1	ZINC001129565098	938457564	/nfs/dbraw/zinc/45/75/64/938457564.db2.gz	QLDPOKITTMFSJT-YUTCNCBUSA-N	1	0	361.475	1.448	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]Cc2c(C)nsc2C)[C@@H](n2ccnn2)C1	ZINC001129667561	938478893	/nfs/dbraw/zinc/47/88/93/938478893.db2.gz	ZQGICFUGURLPGE-CVEARBPZSA-N	1	0	360.487	1.859	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]C[C@@H](O)Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129667521	938479041	/nfs/dbraw/zinc/47/90/41/938479041.db2.gz	XJSOUJYOWQLWQE-OTWHNJEPSA-N	1	0	369.469	1.189	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C)cc2)[C@@H](n2ccnn2)C1	ZINC001129677308	938490696	/nfs/dbraw/zinc/49/06/96/938490696.db2.gz	DJHDBCKGHYDJDM-MSOLQXFVSA-N	1	0	355.442	1.331	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]([NH2+]C/C=C\c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129678044	938490966	/nfs/dbraw/zinc/49/09/66/938490966.db2.gz	SLIVDPGBUQEUOU-HJYXSIQESA-N	1	0	367.453	1.536	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H]([NH2+]CCOC2CCC2)[C@@H](n2ccnn2)C1	ZINC001129756605	938501707	/nfs/dbraw/zinc/50/17/07/938501707.db2.gz	BUYGPJSIHKNHMD-MSOLQXFVSA-N	1	0	359.474	1.382	20	30		FDEDRO
Cn1cc([C@@H]2OCCC[C@H]2C(=O)NCC[NH2+]CC#Cc2ccccc2)cn1	ZINC001129791208	938507966	/nfs/dbraw/zinc/50/79/66/938507966.db2.gz	YUHAQELDPKCMON-UXHICEINSA-N	1	0	366.465	1.645	20	30		FDEDRO
CC(C)C[C@@H](C)C[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1n1ccnn1	ZINC001129778142	938513712	/nfs/dbraw/zinc/51/37/12/938513712.db2.gz	OJHTXMDGKDFKLI-OLMNPRSZSA-N	1	0	369.473	1.815	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H]([NH2+]CC2CCOCC2)[C@@H](n2ccnn2)C1	ZINC001129778259	938513807	/nfs/dbraw/zinc/51/38/07/938513807.db2.gz	QFEOYSCLTJWDTF-MSOLQXFVSA-N	1	0	359.474	1.240	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H]([NH2+]CCOCC2CCC2)[C@@H](n2ccnn2)C1	ZINC001129822370	938522267	/nfs/dbraw/zinc/52/22/67/938522267.db2.gz	SJGSBRYNUHISHQ-MSOLQXFVSA-N	1	0	359.474	1.096	20	30		FDEDRO
N#Cc1ccccc1C[NH2+]CCNC(=O)[C@@H]1OCCO[C@@H]1c1ccccc1	ZINC001129856564	938529314	/nfs/dbraw/zinc/52/93/14/938529314.db2.gz	UHLVTFNNPFOZNF-WOJBJXKFSA-N	1	0	365.433	1.921	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2cccc(F)c2)C[C@@H]1n1ccnn1	ZINC001129866547	938532247	/nfs/dbraw/zinc/53/22/47/938532247.db2.gz	DPMCFLNGVYKGSN-OLMNPRSZSA-N	1	0	371.416	1.250	20	30		FDEDRO
C=CCCOCCCCC(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1	ZINC001129837877	938534941	/nfs/dbraw/zinc/53/49/41/938534941.db2.gz	OJPDONDZVBDRLR-SJORKVTESA-N	1	0	367.469	1.742	20	30		FDEDRO
C=CCCOCCCCC(=O)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1	ZINC001129838350	938535242	/nfs/dbraw/zinc/53/52/42/938535242.db2.gz	VTQKEZMUTSSAON-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCOc2c(C)cccc2C)C[C@@H]1n1ccnn1	ZINC001129884621	938538933	/nfs/dbraw/zinc/53/89/33/938538933.db2.gz	PKPAQOFOKVRHBF-MSOLQXFVSA-N	1	0	367.453	1.339	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)nn2C)C[C@@H]1n1ccnn1	ZINC001129876155	938546494	/nfs/dbraw/zinc/54/64/94/938546494.db2.gz	DCOCXLZPURSDOH-AEFFLSMTSA-N	1	0	369.473	1.511	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2ccncc2)C[C@@H]1n1ccnn1	ZINC001129910377	938549930	/nfs/dbraw/zinc/54/99/30/938549930.db2.gz	QFINIKVTTQQFGU-JQHSSLGASA-N	1	0	354.458	1.785	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2(Cc3ccccc3)CC2)C[C@@H]1n1ccnn1	ZINC001129895762	938557172	/nfs/dbraw/zinc/55/71/72/938557172.db2.gz	ISNCHTFRSSAWKY-MOPGFXCFSA-N	1	0	363.465	1.666	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)c(F)c2)C[C@@H]1n1ccnn1	ZINC001129899751	938559445	/nfs/dbraw/zinc/55/94/45/938559445.db2.gz	KGPQVMBZGYDACL-CVEARBPZSA-N	1	0	357.389	1.104	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)n2ccnc2)C[C@@H]1n1ccnn1	ZINC001129902299	938560970	/nfs/dbraw/zinc/56/09/70/938560970.db2.gz	CTVIQSDUMVZTHN-SQNIBIBYSA-N	1	0	371.489	1.680	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2nc(C)cs2)C[C@@H]1n1ccnn1	ZINC001129932122	938562299	/nfs/dbraw/zinc/56/22/99/938562299.db2.gz	MTIZHRCNNRBULJ-CABCVRRESA-N	1	0	358.471	1.041	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@H]1n1ccnn1	ZINC001129938295	938564709	/nfs/dbraw/zinc/56/47/09/938564709.db2.gz	VCNLUEJPRFVKOG-AXSMETJDSA-N	1	0	357.458	1.009	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2ccncc2)C[C@@H]1n1ccnn1	ZINC001129918892	938567498	/nfs/dbraw/zinc/56/74/98/938567498.db2.gz	LEBILBHHVUWMOC-MSOLQXFVSA-N	1	0	354.458	1.614	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2CCC)C[C@@H]1n1ccnn1	ZINC001129919217	938567580	/nfs/dbraw/zinc/56/75/80/938567580.db2.gz	QNLFWCUGOBIKME-SJORKVTESA-N	1	0	357.462	1.575	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)COCc2ccc(OC)cc2)C[C@@H]1n1ccnn1	ZINC001129923540	938569256	/nfs/dbraw/zinc/56/92/56/938569256.db2.gz	IMXKQKPJJDHBTR-MSOLQXFVSA-N	1	0	371.441	1.031	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCc2cccc(C)c2)C[C@@H]1n1ccnn1	ZINC001129948951	938573799	/nfs/dbraw/zinc/57/37/99/938573799.db2.gz	HUVHGSSPARLZNE-UHOSZYNNSA-N	1	0	367.453	1.167	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)nc2C(C)C)C[C@@H]1n1ccnn1	ZINC001129952325	938575360	/nfs/dbraw/zinc/57/53/60/938575360.db2.gz	OZJGTAQEBQSFGY-MSOLQXFVSA-N	1	0	366.469	1.784	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2c(C)cnn2C)C[C@@H]1n1ccnn1	ZINC001129963870	938579116	/nfs/dbraw/zinc/57/91/16/938579116.db2.gz	JZSXXEKFEVTTIE-XHSDSOJGSA-N	1	0	357.462	1.330	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C(C)(C)C2CCC2)C[C@@H]1n1ccnn1	ZINC001129945455	938580701	/nfs/dbraw/zinc/58/07/01/938580701.db2.gz	MZHGOMXZKBYMOP-SJORKVTESA-N	1	0	361.490	1.649	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCC2(F)F)C[C@@H]1n1ccnn1	ZINC001129945433	938580860	/nfs/dbraw/zinc/58/08/60/938580860.db2.gz	MUZSMMYXUUXSDV-ZNMIVQPWSA-N	1	0	351.401	1.468	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c(C)noc2C)C[C@@H]1n1ccnn1	ZINC001129970139	938587924	/nfs/dbraw/zinc/58/79/24/938587924.db2.gz	AOFFDEITNDIFSL-CVEARBPZSA-N	1	0	370.457	1.226	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccccc2N(C)CC)CC1	ZINC000804832222	938590320	/nfs/dbraw/zinc/59/03/20/938590320.db2.gz	IYRJPNDWPPRFIR-UHFFFAOYSA-N	1	0	358.486	1.526	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2[C@H]2CCCO2)C[C@@H]1n1ccnn1	ZINC001129972890	938591513	/nfs/dbraw/zinc/59/15/13/938591513.db2.gz	QVLDCFSYTTVKNT-OWCLPIDISA-N	1	0	371.445	1.084	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C2CCC(OC)CC2)C[C@@H]1n1ccnn1	ZINC001129982942	938597967	/nfs/dbraw/zinc/59/79/67/938597967.db2.gz	KJWGVKVROFALMX-HIEASXQVSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H]([NH2+]CCn2cccn2)[C@@H](n2ccnn2)C1	ZINC001129975957	938600228	/nfs/dbraw/zinc/60/02/28/938600228.db2.gz	AKOIQGQNHCETMO-BBWFWOEESA-N	1	0	357.462	1.119	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2c(C)cc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001129990067	938612055	/nfs/dbraw/zinc/61/20/55/938612055.db2.gz	KGFBRPNXJRVBJK-UXHICEINSA-N	1	0	365.481	1.811	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)[nH]c2=O)C[C@@H]1n1ccnn1	ZINC001130020719	938619879	/nfs/dbraw/zinc/61/98/79/938619879.db2.gz	UJPHUKYIYYXDIQ-CVEARBPZSA-N	1	0	356.430	1.309	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3ccncc3C2)C[C@@H]1n1ccnn1	ZINC001130007263	938624542	/nfs/dbraw/zinc/62/45/42/938624542.db2.gz	GQRLTHNIURIOEB-QRQLOZEOSA-N	1	0	366.469	1.396	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3cc(F)ccc3O2)C[C@@H]1n1ccnn1	ZINC001130024072	938628202	/nfs/dbraw/zinc/62/82/02/938628202.db2.gz	IPCCYHRUPRXYFP-SOLBZPMBSA-N	1	0	371.416	1.339	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2scnc2C2CC2)C[C@@H]1n1ccnn1	ZINC001130030918	938632442	/nfs/dbraw/zinc/63/24/42/938632442.db2.gz	YOZIFBMEXQNLGH-KGLIPLIRSA-N	1	0	356.455	1.291	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2scnc2C)C[C@@H]1n1ccnn1	ZINC001130065788	938653617	/nfs/dbraw/zinc/65/36/17/938653617.db2.gz	SOJIINBSAXFLNY-CABCVRRESA-N	1	0	358.471	1.041	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)CC(C)C)C[C@@H]1n1ccnn1	ZINC001130081159	938662231	/nfs/dbraw/zinc/66/22/31/938662231.db2.gz	AHISMGFJKGOSTR-KURKYZTESA-N	1	0	363.506	1.895	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2coc(C3CCC3)n2)C[C@@H]1n1ccnn1	ZINC001130077355	938670291	/nfs/dbraw/zinc/67/02/91/938670291.db2.gz	DORLHBWOBMDEKY-ZBFHGGJFSA-N	1	0	354.414	1.212	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@H](OC)C(F)(F)F)C[C@@H]1n1ccnn1	ZINC001130077645	938670962	/nfs/dbraw/zinc/67/09/62/938670962.db2.gz	STHLZQBNACMJJN-AGIUHOORSA-N	1	0	361.368	1.163	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnn(C(C)C)c2C)C[C@@H]1n1ccnn1	ZINC001130079377	938672491	/nfs/dbraw/zinc/67/24/91/938672491.db2.gz	HNFDNPMMEFFHMD-MSOLQXFVSA-N	1	0	371.489	1.985	20	30		FDEDRO
CCCc1occc1C(=O)N1C[C@@H]([NH2+]CC#CCOC)[C@@H](n2ccnn2)C1	ZINC001130088639	938674964	/nfs/dbraw/zinc/67/49/64/938674964.db2.gz	BOEATMDPXMKFDR-SJORKVTESA-N	1	0	371.441	1.129	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](OC)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130091140	938676525	/nfs/dbraw/zinc/67/65/25/938676525.db2.gz	CHJCPEODIJQKSD-CEXWTWQISA-N	1	0	369.469	1.974	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2sccc2OC)C[C@@H]1n1ccnn1	ZINC001130096659	938680898	/nfs/dbraw/zinc/68/08/98/938680898.db2.gz	OSAXGAOIJOBLHA-KGLIPLIRSA-N	1	0	361.471	1.970	20	30		FDEDRO
CCCCCCCCC(=O)N1C[C@@H]([NH2+]CC(=O)NC)[C@@H](n2ccnn2)C1	ZINC001130099764	938682516	/nfs/dbraw/zinc/68/25/16/938682516.db2.gz	NNVZNEDVZNIZOW-CVEARBPZSA-N	1	0	364.494	1.116	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)C[C@@H]1n1ccnn1	ZINC001130102333	938684514	/nfs/dbraw/zinc/68/45/14/938684514.db2.gz	SAOFVJKJMRZLTH-YWPYOKSTSA-N	1	0	367.497	1.859	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)COC[C@@H](C)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001130107732	938687482	/nfs/dbraw/zinc/68/74/82/938687482.db2.gz	YEABONXDOWZNOL-QRQLOZEOSA-N	1	0	369.469	1.626	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3c(s2)CCC3)C[C@@H]1n1ccnn1	ZINC001130111955	938690576	/nfs/dbraw/zinc/69/05/76/938690576.db2.gz	ORYYMRVRYUYEGK-CABCVRRESA-N	1	0	355.467	1.507	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)CCc2cccc(F)c2)C[C@@H]1n1ccnn1	ZINC001130129666	938699191	/nfs/dbraw/zinc/69/91/91/938699191.db2.gz	RFYMHBNKBNYARZ-LZQZEXGQSA-N	1	0	369.444	1.661	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COc2cccc(F)c2)C[C@@H]1n1ccnn1	ZINC001130123124	938705071	/nfs/dbraw/zinc/70/50/71/938705071.db2.gz	HPRRZCOXWNJVIJ-SJORKVTESA-N	1	0	359.405	1.414	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n2ccnn2)C1	ZINC001130151459	938715959	/nfs/dbraw/zinc/71/59/59/938715959.db2.gz	ROOPBRLWHHCLQH-XQQFMLRXSA-N	1	0	361.368	1.163	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]([NH2+]CC/C=C/CCC)[C@@H](n2ccnn2)C1	ZINC001130148364	938722708	/nfs/dbraw/zinc/72/27/08/938722708.db2.gz	OEVABHNWYIGTBB-YQJUVHNHSA-N	1	0	361.490	1.959	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=Cc2ccco2)[nH]1	ZINC001130177494	938724819	/nfs/dbraw/zinc/72/48/19/938724819.db2.gz	CXSJXRHOIMKYAT-KQLNYGGHSA-N	1	0	371.441	1.766	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccccc2O)[nH]1	ZINC001130186381	938731957	/nfs/dbraw/zinc/73/19/57/938731957.db2.gz	AESUDJGBGBNLDF-ZFWWWQNUSA-N	1	0	357.414	1.088	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)no2)[nH]1	ZINC001130187189	938732639	/nfs/dbraw/zinc/73/26/39/938732639.db2.gz	VUMUGSTUXPFVHG-JSGCOSHPSA-N	1	0	360.418	1.069	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C)nc2)[nH]1	ZINC001130187300	938733224	/nfs/dbraw/zinc/73/32/24/938733224.db2.gz	ZLOWTGMXGGPORD-HOTGVXAUSA-N	1	0	370.457	1.476	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2scnc2C)[nH]1	ZINC001130188102	938734845	/nfs/dbraw/zinc/73/48/45/938734845.db2.gz	ZCHMZGNXPFFUMF-RYUDHWBXSA-N	1	0	362.459	1.148	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CC(F)(F)C2)[nH]1	ZINC001130198237	938740219	/nfs/dbraw/zinc/74/02/19/938740219.db2.gz	BCUPLTAYGJXDJL-STQMWFEESA-N	1	0	369.416	1.504	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccccc2)n1	ZINC001130182763	938741633	/nfs/dbraw/zinc/74/16/33/938741633.db2.gz	ALXUMPHBJILERN-HOTGVXAUSA-N	1	0	353.426	1.220	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2=CCCCCC2)[nH]1	ZINC001130204635	938745430	/nfs/dbraw/zinc/74/54/30/938745430.db2.gz	AKANBFGPRLCSAX-HOTGVXAUSA-N	1	0	359.474	1.960	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCCC3(CC3)C2)n1	ZINC001130212875	938750060	/nfs/dbraw/zinc/75/00/60/938750060.db2.gz	IUJJAYBYAZPZLA-JYJNAYRXSA-N	1	0	371.485	1.487	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)=C2CCC2)n1	ZINC001130213309	938750384	/nfs/dbraw/zinc/75/03/84/938750384.db2.gz	ZNQBYWYXNODBAA-HOTGVXAUSA-N	1	0	357.458	1.407	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2cnccc2C)[nH]1	ZINC001130215675	938751943	/nfs/dbraw/zinc/75/19/43/938751943.db2.gz	BGPVJPWORFSVEU-HOTGVXAUSA-N	1	0	370.457	1.015	20	30		FDEDRO
C=C(C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C[C@@H](F)CC)[nH]1	ZINC001130216330	938752630	/nfs/dbraw/zinc/75/26/30/938752630.db2.gz	TYQNZYYMBQVOGP-KKUMJFAQSA-N	1	0	367.469	1.987	20	30		FDEDRO
C=C(C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C[C@H](C)OC)[nH]1	ZINC001130216202	938752715	/nfs/dbraw/zinc/75/27/15/938752715.db2.gz	QNGVHSNMYDGZHB-KKUMJFAQSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](CC)SC)[nH]1	ZINC001130200197	938753719	/nfs/dbraw/zinc/75/37/19/938753719.db2.gz	CYBLGMRZODRQRC-MELADBBJSA-N	1	0	367.519	1.601	20	30		FDEDRO
C=CCOCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C[C@@H](C)CC)[nH]1	ZINC001130203031	938755493	/nfs/dbraw/zinc/75/54/93/938755493.db2.gz	QCNVLEVRIKNWKB-KKUMJFAQSA-N	1	0	365.478	1.132	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccncc2CC)[nH]1	ZINC001130222701	938756869	/nfs/dbraw/zinc/75/68/69/938756869.db2.gz	AJWKNJWBZCFDRR-HOTGVXAUSA-N	1	0	370.457	1.340	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)CC(F)F)[nH]1	ZINC001130224921	938758798	/nfs/dbraw/zinc/75/87/98/938758798.db2.gz	ITAFUVPCSZYEGM-WOPDTQHZSA-N	1	0	357.405	1.360	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2cncc(C)c2)[nH]1	ZINC001130224976	938759243	/nfs/dbraw/zinc/75/92/43/938759243.db2.gz	LHDLBSUOIZAWRV-HOTGVXAUSA-N	1	0	370.457	1.015	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCC2(C)C)[nH]1	ZINC001130230507	938764315	/nfs/dbraw/zinc/76/43/15/938764315.db2.gz	YEKFGGVMUWIVBY-ZNMIVQPWSA-N	1	0	359.474	1.343	20	30		FDEDRO
C=C[C@H](CC)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1	ZINC001130232409	938765152	/nfs/dbraw/zinc/76/51/52/938765152.db2.gz	GIUPHKOBRGPIJU-RDBSUJKOSA-N	1	0	353.442	1.455	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1	ZINC001130232407	938765167	/nfs/dbraw/zinc/76/51/67/938765167.db2.gz	GIUPHKOBRGPIJU-IHRRRGAJSA-N	1	0	353.442	1.455	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c[nH]cc2C)[nH]1	ZINC001130249090	938773238	/nfs/dbraw/zinc/77/32/38/938773238.db2.gz	JFNDSYXIMBQKHI-ZFWWWQNUSA-N	1	0	358.446	1.409	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)CCOC)[nH]1	ZINC001130251133	938774176	/nfs/dbraw/zinc/77/41/76/938774176.db2.gz	CYEFFGDVXGTARF-KKUMJFAQSA-N	1	0	365.478	1.132	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H](C)C2CC2)[nH]1	ZINC001130251234	938774449	/nfs/dbraw/zinc/77/44/49/938774449.db2.gz	JIIUKZLLFPWDMS-BPUTZDHNSA-N	1	0	359.474	1.343	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)OCC=C)[nH]1	ZINC001130251402	938774853	/nfs/dbraw/zinc/77/48/53/938774853.db2.gz	RYGJDIKMSJFOMU-ILXRZTDVSA-N	1	0	363.462	1.050	20	30		FDEDRO
C=CCCOCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCC)[nH]1	ZINC001130253703	938775542	/nfs/dbraw/zinc/77/55/42/938775542.db2.gz	LAVUWPDCKLLGCM-GJZGRUSLSA-N	1	0	365.478	1.276	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2ccco2)CC1	ZINC001130269209	938784038	/nfs/dbraw/zinc/78/40/38/938784038.db2.gz	DYCQQRPHKQRTKV-NQIIRXRSSA-N	1	0	371.481	1.711	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCCOC)CC1	ZINC001130274264	938786514	/nfs/dbraw/zinc/78/65/14/938786514.db2.gz	DTRZDBFZOGZYFB-APWZRJJASA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCC(C)C)CC1	ZINC001130278894	938789080	/nfs/dbraw/zinc/78/90/80/938789080.db2.gz	JMKLPABXEHKRAL-XLIONFOSSA-N	1	0	365.518	1.711	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](CC)OCC)CC1	ZINC001130278890	938789082	/nfs/dbraw/zinc/78/90/82/938789082.db2.gz	IYNGQYFNLWGUST-AOIWGVFYSA-N	1	0	363.502	1.300	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC2(OC)CCC2)CC1	ZINC001130288440	938793397	/nfs/dbraw/zinc/79/33/97/938793397.db2.gz	POJTVVJSIFNJPH-APWZRJJASA-N	1	0	361.486	1.054	20	30		FDEDRO
CC1CC(C[NH+]2CCC([C@@H]3NC(=O)CC[C@H]3NC(=O)C#CC3CC3)CC2)C1	ZINC001130290524	938795048	/nfs/dbraw/zinc/79/50/48/938795048.db2.gz	BHILDGZLEGTFRC-GEAWFXGISA-N	1	0	371.525	1.921	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2(CC#C)CCC2)CC1	ZINC001130290802	938795401	/nfs/dbraw/zinc/79/54/01/938795401.db2.gz	LQGABFUYRDIVQT-QUCCMNQESA-N	1	0	369.509	1.679	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](OCC)C(C)C)CC1	ZINC001130290963	938795725	/nfs/dbraw/zinc/79/57/25/938795725.db2.gz	SBEBLXMXUXZKTE-NZSAHSFTSA-N	1	0	363.502	1.156	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](OC)C(C)C)CC1	ZINC001130298954	938799351	/nfs/dbraw/zinc/79/93/51/938799351.db2.gz	ONNKDJVAHUWHSF-BPQIPLTHSA-N	1	0	351.491	1.319	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)CCOC)CC1	ZINC001130306876	938804728	/nfs/dbraw/zinc/80/47/28/938804728.db2.gz	BXEMXFCUHKUSDO-SUMDDJOVSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCC)CC1	ZINC001130312999	938807606	/nfs/dbraw/zinc/80/76/06/938807606.db2.gz	ITTQNICCSBSNEU-KYJSFNMBSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1	ZINC001130313274	938807804	/nfs/dbraw/zinc/80/78/04/938807804.db2.gz	SCKVHUNZHCUYNZ-UNEWFSDZSA-N	1	0	355.454	1.022	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C(C)C)CC1	ZINC001130313307	938807886	/nfs/dbraw/zinc/80/78/86/938807886.db2.gz	UDDXVFCCGHSLGX-KYJSFNMBSA-N	1	0	351.491	1.461	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CN(C(C)=O)C[C@H]1c1cn(C)cn1	ZINC001130474059	938864759	/nfs/dbraw/zinc/86/47/59/938864759.db2.gz	LHVUAVKMMDJQJQ-QILLFSRXSA-N	1	0	361.490	1.137	20	30		FDEDRO
C#CCCCNC(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1	ZINC000805995870	938869442	/nfs/dbraw/zinc/86/94/42/938869442.db2.gz	VRWAWBBFPZZQSZ-UHFFFAOYSA-N	1	0	357.454	1.307	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1c1cn(C)cn1	ZINC001130493898	938873560	/nfs/dbraw/zinc/87/35/60/938873560.db2.gz	TVPJPFBIGQOGOJ-PKOBYXMFSA-N	1	0	370.501	1.947	20	30		FDEDRO
CCCSCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#CCOC)C1	ZINC001130518553	938895491	/nfs/dbraw/zinc/89/54/91/938895491.db2.gz	CMMRXCWNCBIPDO-DOTOQJQBSA-N	1	0	364.515	1.097	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCC[C@@H](C)O)C1	ZINC001130573851	939874133	/nfs/dbraw/zinc/87/41/33/939874133.db2.gz	BUTPMAGMLGVNIT-ZIFCJYIRSA-N	1	0	360.502	1.659	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3cn[nH]c32)C[C@H]1c1cn(C)cn1	ZINC001130590312	939896808	/nfs/dbraw/zinc/89/68/08/939896808.db2.gz	JOMOBOBWHKVDTA-XYJFISCASA-N	1	0	368.485	1.723	20	30		FDEDRO
Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1c1cn(C)cn1	ZINC001130590571	939897580	/nfs/dbraw/zinc/89/75/80/939897580.db2.gz	XFGXOYTUDLREBU-DOTOQJQBSA-N	1	0	355.442	1.460	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CO[C@H]2CCOC2)C[C@H]1c1cn(C)cn1	ZINC001130594373	939901592	/nfs/dbraw/zinc/90/15/92/939901592.db2.gz	FAFIYZKCROHGPM-XYJFISCASA-N	1	0	362.474	1.076	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)n(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130594559	939901813	/nfs/dbraw/zinc/90/18/13/939901813.db2.gz	OILTZJKFTVUPLM-MAUKXSAKSA-N	1	0	368.485	1.498	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)nnc2C)C[C@H]1c1cn(C)cn1	ZINC001130599654	939905351	/nfs/dbraw/zinc/90/53/51/939905351.db2.gz	YVBDACXYDLMOQR-FUHWJXTLSA-N	1	0	352.442	1.048	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2cnccc2OC)C[C@H]1c1cn(C)cn1	ZINC001130615108	939912693	/nfs/dbraw/zinc/91/26/93/939912693.db2.gz	LTZREWPMLZSRLV-FUHWJXTLSA-N	1	0	369.469	1.527	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccnn2[C@H](C)CC)C[C@H]1c1cn(C)cn1	ZINC001130602854	939914506	/nfs/dbraw/zinc/91/45/06/939914506.db2.gz	QKRTYQCNJOJRKI-SOLBZPMBSA-N	1	0	368.485	1.809	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCn2cccn2)C1	ZINC001130604984	939916381	/nfs/dbraw/zinc/91/63/81/939916381.db2.gz	SZHPKWSTRCFCOW-FUHWJXTLSA-N	1	0	370.501	1.803	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1c1cn(C)cn1	ZINC001130622116	939920406	/nfs/dbraw/zinc/92/04/06/939920406.db2.gz	QJZWIWZUVAZZHM-WMLDXEAASA-N	1	0	359.478	1.706	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC(C)(C)CO2)C[C@H]1c1cn(C)cn1	ZINC001130623488	939921666	/nfs/dbraw/zinc/92/16/66/939921666.db2.gz	ARIRJLSHKMRJMY-SOLBZPMBSA-N	1	0	358.486	1.533	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)COCc2cc(C)no2)C[C@H]1c1cn(C)cn1	ZINC001130617036	939928573	/nfs/dbraw/zinc/92/85/73/939928573.db2.gz	PPGCHVNDVNMTIC-DOTOQJQBSA-N	1	0	359.430	1.003	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2CCC)C[C@H]1c1cn(C)cn1	ZINC001130621764	939931272	/nfs/dbraw/zinc/93/12/72/939931272.db2.gz	CZLMUTORFYKROT-MAUKXSAKSA-N	1	0	354.458	1.317	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1c1cn(C)cn1	ZINC001130654475	939948120	/nfs/dbraw/zinc/94/81/20/939948120.db2.gz	JYPAJRLCIQGWQA-GRDNDAEWSA-N	1	0	370.457	1.056	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2ccc(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130642511	939950153	/nfs/dbraw/zinc/95/01/53/939950153.db2.gz	QGHUNILCLPJUKM-JENIJYKNSA-N	1	0	368.485	1.484	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C/C=C(/C)C=C)C[C@H]1c1cn(C)cn1	ZINC001130644087	939952577	/nfs/dbraw/zinc/95/25/77/939952577.db2.gz	HDRNPHPYQHVBLC-KEUNCTETSA-N	1	0	371.485	1.129	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnn(C)c2)C1	ZINC001130656362	939960641	/nfs/dbraw/zinc/96/06/41/939960641.db2.gz	GYOCKRTVMNURHH-HHXXYDBFSA-N	1	0	370.501	1.840	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnnn2C)C1	ZINC001130656625	939960936	/nfs/dbraw/zinc/96/09/36/939960936.db2.gz	NEFITOJUEJIEMI-UWWQBHOKSA-N	1	0	371.489	1.235	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1c1cn(C)cn1	ZINC001130675594	939973440	/nfs/dbraw/zinc/97/34/40/939973440.db2.gz	XFSXIYGLPAUFHB-UWWQBHOKSA-N	1	0	371.489	1.410	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)no2)C[C@H]1c1cn(C)cn1	ZINC001130685023	939974548	/nfs/dbraw/zinc/97/45/48/939974548.db2.gz	ARXJPKVYRDMLIH-WMLDXEAASA-N	1	0	353.426	1.507	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCCCO2)C[C@H]1c1cn(C)cn1	ZINC001130687591	939977184	/nfs/dbraw/zinc/97/71/84/939977184.db2.gz	HSXOUDHSELVQBT-JENIJYKNSA-N	1	0	358.486	1.677	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCC(C)C)C2)nn1	ZINC001130687985	939978162	/nfs/dbraw/zinc/97/81/62/939978162.db2.gz	ZYSJUJVQDDEJSV-DOTOQJQBSA-N	1	0	371.489	1.442	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]cn2)C[C@H]1c1cn(C)cn1	ZINC001130690124	939980012	/nfs/dbraw/zinc/98/00/12/939980012.db2.gz	YBVZGJFYLLNDMN-VDZJLULYSA-N	1	0	370.501	1.872	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cn(CC)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130682601	939982250	/nfs/dbraw/zinc/98/22/50/939982250.db2.gz	GCAZWFMEZBQFRD-FUHWJXTLSA-N	1	0	354.458	1.166	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2nccc2C)C[C@H]1c1cn(C)cn1	ZINC001130682754	939982292	/nfs/dbraw/zinc/98/22/92/939982292.db2.gz	JICFQNXXBIYRMF-HHXXYDBFSA-N	1	0	370.501	1.864	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cn(CC)nn2)C[C@H]1c1cn(C)cn1	ZINC001130703909	939984415	/nfs/dbraw/zinc/98/44/15/939984415.db2.gz	ALOKBVIJKSHERN-YQQAZPJKSA-N	1	0	371.489	1.584	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C)n3C)C2)C1=O	ZINC001086644097	939994383	/nfs/dbraw/zinc/99/43/83/939994383.db2.gz	DYGHKGPMABQNEX-BBWFWOEESA-N	1	0	358.486	1.609	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2coc(CCC)n2)C[C@H]1c1cn(C)cn1	ZINC001130712713	939999568	/nfs/dbraw/zinc/99/95/68/939999568.db2.gz	IGVJXPAOSXRNAX-GOEBONIOSA-N	1	0	355.442	1.582	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1c1cn(C)cn1	ZINC001130708252	940013986	/nfs/dbraw/zinc/01/39/86/940013986.db2.gz	FJPWKGDYUJSCAE-GOEBONIOSA-N	1	0	353.898	1.398	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)COc2ccccc2F)C[C@H]1c1cn(C)cn1	ZINC001130728802	940017626	/nfs/dbraw/zinc/01/76/26/940017626.db2.gz	LXAVEOIMTKBSLQ-MAUKXSAKSA-N	1	0	370.428	1.546	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2CCC=CCC2)C[C@H]1c1cn(C)cn1	ZINC001130729001	940017960	/nfs/dbraw/zinc/01/79/60/940017960.db2.gz	RGVWOAVFPCANQI-AZUAARDMSA-N	1	0	370.497	1.700	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)cc2)C[C@H]1c1cn(C)cn1	ZINC001130719682	940023338	/nfs/dbraw/zinc/02/33/38/940023338.db2.gz	ZWXIVEYNFWHUOH-AZUAARDMSA-N	1	0	365.481	1.707	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccccc2N(C)C)C[C@H]1c1cn(C)cn1	ZINC001130736602	940037449	/nfs/dbraw/zinc/03/74/49/940037449.db2.gz	KKLCQGBLNBNQQB-PKOBYXMFSA-N	1	0	365.481	1.707	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2ccc(C)o2)C[C@H]1c1cn(C)cn1	ZINC001130731874	940045641	/nfs/dbraw/zinc/04/56/41/940045641.db2.gz	SBGQZTNJFLVOTR-PKOBYXMFSA-N	1	0	354.454	1.862	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C/C=C/Cl)C1	ZINC001130742012	940046465	/nfs/dbraw/zinc/04/64/65/940046465.db2.gz	WEEBQGSYTCKASA-HMRWBYCRSA-N	1	0	352.866	1.649	20	30		FDEDRO
C#CCC(CC#C)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000806791436	940050355	/nfs/dbraw/zinc/05/03/55/940050355.db2.gz	DROPTLGETPRBAK-UHFFFAOYSA-N	1	0	353.470	1.158	20	30		FDEDRO
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)c1	ZINC000806806260	940059421	/nfs/dbraw/zinc/05/94/21/940059421.db2.gz	ANECWSIBVSHLTQ-KRWDZBQOSA-N	1	0	374.485	1.966	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCSC)n2)O1	ZINC001130758155	940083673	/nfs/dbraw/zinc/08/36/73/940083673.db2.gz	UNGFJRJPEMMLDP-QWHCGFSZSA-N	1	0	351.476	1.007	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(C)nc3)n2)O1	ZINC001130759831	940087182	/nfs/dbraw/zinc/08/71/82/940087182.db2.gz	OUBNVUNLVWSIRK-JKSUJKDBSA-N	1	0	370.457	1.824	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)SC)n2)O1	ZINC001130767244	940100862	/nfs/dbraw/zinc/10/08/62/940100862.db2.gz	FJPVLPBXDXIISC-RWMBFGLXSA-N	1	0	351.476	1.005	20	30		FDEDRO
C=CCOCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C[C@H](C)CC)O2)n[nH]1	ZINC001130767494	940101346	/nfs/dbraw/zinc/10/13/46/940101346.db2.gz	KXLOWPVOGHSZSB-QLFBSQMISA-N	1	0	365.478	1.479	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)SC)n2)O1	ZINC001130767609	940102125	/nfs/dbraw/zinc/10/21/25/940102125.db2.gz	ONIKHICJMJBDRS-MELADBBJSA-N	1	0	367.519	1.948	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCCCF)O2)n[nH]1	ZINC001130769651	940106945	/nfs/dbraw/zinc/10/69/45/940106945.db2.gz	MXIFAAOFXDMSDD-MELADBBJSA-N	1	0	366.441	1.530	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc4occc4[nH]3)n2)O1	ZINC001130785562	940120446	/nfs/dbraw/zinc/12/04/46/940120446.db2.gz	VJULHMGXBRZDIS-SMDDNHRTSA-N	1	0	370.413	1.805	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[C@H](C)OC)n2)O1	ZINC001130777260	940128518	/nfs/dbraw/zinc/12/85/18/940128518.db2.gz	ZCOWHTKFDFPSIC-SOUVJXGZSA-N	1	0	365.478	1.622	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C#CC(C)C)n2)O1	ZINC001130780996	940135761	/nfs/dbraw/zinc/13/57/61/940135761.db2.gz	JWYYJVMETYSAKF-JKSUJKDBSA-N	1	0	359.474	1.856	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H](C)SC)n2)O1	ZINC001130781005	940135877	/nfs/dbraw/zinc/13/58/77/940135877.db2.gz	KLZRAQZUVPEHAC-MELADBBJSA-N	1	0	365.503	1.396	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H](C)SC)n2)O1	ZINC001130781213	940136419	/nfs/dbraw/zinc/13/64/19/940136419.db2.gz	UFKATZUXTQWHFJ-FRRDWIJNSA-N	1	0	353.492	1.558	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(CCF)CC3)n2)O1	ZINC001130794575	940146415	/nfs/dbraw/zinc/14/64/15/940146415.db2.gz	ZYZGHPARXKZBGY-UONOGXRCSA-N	1	0	363.437	1.394	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC#CC)O2)n[nH]1	ZINC001130796550	940151700	/nfs/dbraw/zinc/15/17/00/940151700.db2.gz	XPAXONWOWDOWFM-HRCADAONSA-N	1	0	359.474	1.856	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000822900796	945300479	/nfs/dbraw/zinc/30/04/79/945300479.db2.gz	RDTVWJSWZLFBDK-OALUTQOASA-N	1	0	370.497	1.481	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3C[C@H]3CC(C)C)n2)O1	ZINC001130807262	940182602	/nfs/dbraw/zinc/18/26/02/940182602.db2.gz	VNLUCVSXXBGELF-QKPAOTATSA-N	1	0	359.474	1.546	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](CC(C)C)OC)n2)O1	ZINC001130808998	940184176	/nfs/dbraw/zinc/18/41/76/940184176.db2.gz	BQEVVXAMVCUIGB-ZNMIVQPWSA-N	1	0	365.478	1.478	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3Cc4ccccc43)n2)O1	ZINC001130799801	940194425	/nfs/dbraw/zinc/19/44/25/940194425.db2.gz	YKUXJICHVZNFGI-BHYGNILZSA-N	1	0	367.453	1.757	20	30		FDEDRO
C=CCO[C@H](C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC3CC3)O2)n[nH]1	ZINC001130822440	940203066	/nfs/dbraw/zinc/20/30/66/940203066.db2.gz	IZSJFNTZPUXPMZ-VHDGCEQUSA-N	1	0	363.462	1.232	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC34CCCC4)n2)O1	ZINC001130812904	940210978	/nfs/dbraw/zinc/21/09/78/940210978.db2.gz	FENUXYOGWBVPPO-RRFJBIMHSA-N	1	0	359.474	1.997	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)c3ccccc3)n2)O1	ZINC001130816350	940218349	/nfs/dbraw/zinc/21/83/49/940218349.db2.gz	SDUDFPPKOFGIMK-BHYGNILZSA-N	1	0	367.453	1.668	20	30		FDEDRO
C#Cc1ccc(C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CC=C)O3)n[nH]2)cn1	ZINC001130817603	940222749	/nfs/dbraw/zinc/22/27/49/940222749.db2.gz	VTAWQRPXYOBFOL-JKSUJKDBSA-N	1	0	366.425	1.107	20	30		FDEDRO
C#CCN(C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCCC1	ZINC000807100545	940249463	/nfs/dbraw/zinc/24/94/63/940249463.db2.gz	FIDXODCGGQBGKQ-INIZCTEOSA-N	1	0	361.486	1.008	20	30		FDEDRO
CC[C@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)c1ccco1	ZINC000807312773	940316107	/nfs/dbraw/zinc/31/61/07/940316107.db2.gz	RYJVHJXWSUUBHK-JSGCOSHPSA-N	1	0	358.402	1.184	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CCCC)C[C@H]1c1cncn1C	ZINC001130921162	940331446	/nfs/dbraw/zinc/33/14/46/940331446.db2.gz	ZVGCMSLRDXLPEW-ARFHVFGLSA-N	1	0	361.490	1.185	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2snnc2C)C1	ZINC001130935728	940331563	/nfs/dbraw/zinc/33/15/63/940331563.db2.gz	JAYGQYJATMKHRF-ZIAGYGMSSA-N	1	0	360.487	1.630	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1	ZINC001130930660	940339847	/nfs/dbraw/zinc/33/98/47/940339847.db2.gz	BHNKDNYCLPVKHU-IAGOWNOFSA-N	1	0	369.469	1.169	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cncs2)C1	ZINC001130948763	940347473	/nfs/dbraw/zinc/34/74/73/940347473.db2.gz	XEEJZPRLIQBRSF-HUUCEWRRSA-N	1	0	361.471	1.163	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1	ZINC000807400890	940350327	/nfs/dbraw/zinc/35/03/27/940350327.db2.gz	GQEVVTDEMLBMKC-QFBILLFUSA-N	1	0	370.497	1.849	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2cc(C)on2)C[C@H]1c1cncn1C	ZINC001130940569	940350886	/nfs/dbraw/zinc/35/08/86/940350886.db2.gz	CVFFSVNPQRLNDX-IAGOWNOFSA-N	1	0	357.458	1.809	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cncc(C)c2)C1	ZINC001130945990	940357208	/nfs/dbraw/zinc/35/72/08/940357208.db2.gz	HTCDPTOAVFHFTC-QZTJIDSGSA-N	1	0	369.469	1.410	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2nnc[nH]2)C[C@H]1c1cncn1C	ZINC001130956611	940361309	/nfs/dbraw/zinc/36/13/09/940361309.db2.gz	ARLZLQZBVBEFSL-HUUCEWRRSA-N	1	0	357.462	1.021	20	30		FDEDRO
CC[C@@H](C)C[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1c1cncn1C	ZINC001130961823	940367374	/nfs/dbraw/zinc/36/73/74/940367374.db2.gz	SJLUMUCFKZLSJV-FRFSOERESA-N	1	0	354.458	1.864	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCCCC)C1	ZINC001130989092	940411279	/nfs/dbraw/zinc/41/12/79/940411279.db2.gz	UVCKPLIJSHUQLI-QZTJIDSGSA-N	1	0	360.502	1.924	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C/C=C/Cl)C1	ZINC001130988950	940411312	/nfs/dbraw/zinc/41/13/12/940411312.db2.gz	QTHSUYVDHHGGMF-VREHXWONSA-N	1	0	350.850	1.095	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc(N(C)C)cn2)C[C@H]1c1cncn1C	ZINC001130991698	940415054	/nfs/dbraw/zinc/41/50/54/940415054.db2.gz	YXKSCKRNDHZLFQ-GDBMZVCRSA-N	1	0	369.473	1.050	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccnn2C(F)F)C[C@H]1c1cncn1C	ZINC001131004061	940430371	/nfs/dbraw/zinc/43/03/71/940430371.db2.gz	ZOGKYQKNMLDXHN-CHWSQXEVSA-N	1	0	362.384	1.233	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+][C@H](C)COC)C2)CCC1	ZINC001131007746	940434090	/nfs/dbraw/zinc/43/40/90/940434090.db2.gz	JEIHDAXJIJXRAV-BRWVUGGUSA-N	1	0	358.486	1.533	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)COCc2cc(C)on2)C[C@H]1c1cncn1C	ZINC001131017840	940439002	/nfs/dbraw/zinc/43/90/02/940439002.db2.gz	OPHZOICONQVFKH-HZPDHXFCSA-N	1	0	359.430	1.003	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cncc(COC)c2)C[C@H]1c1cncn1C	ZINC001131010699	940441851	/nfs/dbraw/zinc/44/18/51/940441851.db2.gz	ZBJWGOAJEJROJT-QZTJIDSGSA-N	1	0	367.453	1.183	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2C(C)C)C[C@H]1c1cncn1C	ZINC001131020066	940452297	/nfs/dbraw/zinc/45/22/97/940452297.db2.gz	JZALYTJAPDYHBJ-HZPDHXFCSA-N	1	0	354.458	1.488	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(Cl)n(C)n2)C[C@H]1c1cncn1C	ZINC001131026118	940459687	/nfs/dbraw/zinc/45/96/87/940459687.db2.gz	VSWPZZKKPIDWOH-TZMCWYRMSA-N	1	0	360.849	1.028	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ncc(OC)cn2)C[C@H]1c1cncn1C	ZINC001131028676	940463012	/nfs/dbraw/zinc/46/30/12/940463012.db2.gz	CFNJZHNZIVJHNU-HZPDHXFCSA-N	1	0	370.457	1.383	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)onc2C2CC2)C[C@H]1c1cncn1C	ZINC001131028687	940463100	/nfs/dbraw/zinc/46/31/00/940463100.db2.gz	CRNJCYRLLMFBSK-HZPDHXFCSA-N	1	0	367.453	1.815	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1c1cncn1C	ZINC001131035616	940465175	/nfs/dbraw/zinc/46/51/75/940465175.db2.gz	JTOOOENGEHDERL-IAGOWNOFSA-N	1	0	370.501	1.637	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2occ3c2CCC3)C[C@H]1c1cncn1C	ZINC001131038443	940466751	/nfs/dbraw/zinc/46/67/51/940466751.db2.gz	SBTUWXMLYJHEBF-IAGOWNOFSA-N	1	0	352.438	1.723	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2ncccc2F)C[C@H]1c1cncn1C	ZINC001131051054	940470958	/nfs/dbraw/zinc/47/09/58/940470958.db2.gz	ATENZROSMMTXNY-RHSMWYFYSA-N	1	0	357.433	1.657	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCCO1	ZINC000807749308	940471100	/nfs/dbraw/zinc/47/11/00/940471100.db2.gz	SXECOOWQHNDDMW-WZGPROSRSA-N	1	0	369.465	1.063	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCn2ccccc2=O)C[C@H]1c1cncn1C	ZINC001131044183	940473227	/nfs/dbraw/zinc/47/32/27/940473227.db2.gz	RWMMJTJBLVQOBB-IAGOWNOFSA-N	1	0	369.469	1.132	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cncnc2)C[C@H]1c1cncn1C	ZINC001131051336	940476834	/nfs/dbraw/zinc/47/68/34/940476834.db2.gz	IYLSLDSUVIVQRE-KBAYOESNSA-N	1	0	368.485	1.864	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccnn2C)C1	ZINC001131055756	940481731	/nfs/dbraw/zinc/48/17/31/940481731.db2.gz	KYGCXAMSMKPINQ-CGTJXYLNSA-N	1	0	370.501	1.840	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3ccc(F)cc32)C[C@H]1c1cncn1C	ZINC001131055795	940481830	/nfs/dbraw/zinc/48/18/30/940481830.db2.gz	MOYHOHOEKPSFQA-GUDVDZBRSA-N	1	0	366.440	1.806	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC#CCOC)C2)C1	ZINC001131067256	940482560	/nfs/dbraw/zinc/48/25/60/940482560.db2.gz	VYMBXHXWUFDSMK-IAGOWNOFSA-N	1	0	356.470	1.310	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]C[C@H](C)OC)C2)c1	ZINC001131068155	940483377	/nfs/dbraw/zinc/48/33/77/940483377.db2.gz	PQNDKEVZKMBQIK-BMGDILEWSA-N	1	0	367.453	1.029	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ncsc2C2CC2)C[C@H]1c1cncn1C	ZINC001131070042	940484189	/nfs/dbraw/zinc/48/41/89/940484189.db2.gz	CVVJOKXWIUOLFO-HUUCEWRRSA-N	1	0	369.494	1.975	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3nonc3c2)C[C@H]1c1cncn1C	ZINC001131064612	940486622	/nfs/dbraw/zinc/48/66/22/940486622.db2.gz	OBOPBCIQOHHJTE-RHSMWYFYSA-N	1	0	364.409	1.177	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCn2cccn2)C1	ZINC001131081893	940487786	/nfs/dbraw/zinc/48/77/86/940487786.db2.gz	DFGOECRKZAQESV-IAGOWNOFSA-N	1	0	370.501	1.803	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2cn(C)nc2C)C[C@H]1c1cncn1C	ZINC001131084249	940489318	/nfs/dbraw/zinc/48/93/18/940489318.db2.gz	OJRQKOXJTKGFSQ-QZTJIDSGSA-N	1	0	370.501	1.555	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1c1cncn1C	ZINC001131073731	940490231	/nfs/dbraw/zinc/49/02/31/940490231.db2.gz	LNVSJDQDEORVQU-DJIMGWMZSA-N	1	0	371.489	1.410	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C2(CF)CCC2)C[C@H]1c1cncn1C	ZINC001131073980	940490466	/nfs/dbraw/zinc/49/04/66/940490466.db2.gz	SGUJGQIORLXABN-HZPDHXFCSA-N	1	0	362.449	1.094	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccnn2C)C1	ZINC001131079096	940491945	/nfs/dbraw/zinc/49/19/45/940491945.db2.gz	FAYZMOSCFXFEFF-IAGOWNOFSA-N	1	0	370.501	1.840	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2C2CC2)C[C@H]1c1cncn1C	ZINC001131098820	940492877	/nfs/dbraw/zinc/49/28/77/940492877.db2.gz	LUYNDFUSZQFLAW-HZPDHXFCSA-N	1	0	354.458	1.795	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2coc(COC)n2)C[C@H]1c1cncn1C	ZINC001131099608	940494052	/nfs/dbraw/zinc/49/40/52/940494052.db2.gz	VYVUHTABCAWSCD-ZIAGYGMSSA-N	1	0	359.430	1.328	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1c1cncn1C	ZINC001131089514	940494681	/nfs/dbraw/zinc/49/46/81/940494681.db2.gz	KTJVNAOGADPEFU-HUUCEWRRSA-N	1	0	353.898	1.398	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccncn2)C[C@H]1c1cncn1C	ZINC001131091225	940495514	/nfs/dbraw/zinc/49/55/14/940495514.db2.gz	AVTFPFPTECQFGT-BFYDXBDKSA-N	1	0	354.458	1.763	20	30		FDEDRO
CN(C)c1nccc(NN=C2c3ccccc3N(CC[NH+](C)C)C2=O)n1	ZINC000807972131	940499272	/nfs/dbraw/zinc/49/92/72/940499272.db2.gz	NNTCWWPYGJBAER-UHFFFAOYSA-N	1	0	353.430	1.267	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1c1cncn1C	ZINC001131108250	940502601	/nfs/dbraw/zinc/50/26/01/940502601.db2.gz	NRYHGDGVBRBNAY-KBAYOESNSA-N	1	0	370.501	1.635	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1c1cncn1C	ZINC001131115707	940503863	/nfs/dbraw/zinc/50/38/63/940503863.db2.gz	VUWRYLYVBFAHOH-HZPDHXFCSA-N	1	0	367.925	1.789	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3n[nH]nc3c2)C[C@H]1c1cncn1C	ZINC001131123698	940507218	/nfs/dbraw/zinc/50/72/18/940507218.db2.gz	NWMRQMWHSWLITF-RHSMWYFYSA-N	1	0	365.441	1.465	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]C[C@H](C)O)C2)CCCC1	ZINC001131138496	940509339	/nfs/dbraw/zinc/50/93/39/940509339.db2.gz	FEJSJPWOCFKBON-GVDBMIGSSA-N	1	0	360.502	1.821	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C[C@H]1c1cncn1C	ZINC001131130513	940511332	/nfs/dbraw/zinc/51/13/32/940511332.db2.gz	QFDVKMGRQGBHHQ-NHPMYSMKSA-N	1	0	352.482	1.620	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[C@@H]1CCCO1	ZINC000808022040	940512307	/nfs/dbraw/zinc/51/23/07/940512307.db2.gz	FVOGAJNYORGNAQ-LMSBXDPUSA-N	1	0	361.486	1.053	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCCn2ccnc2)C[C@H]1c1cncn1C	ZINC001131136391	940513490	/nfs/dbraw/zinc/51/34/90/940513490.db2.gz	LDCVUYIBLONABO-IAGOWNOFSA-N	1	0	356.474	1.557	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1	ZINC000808057749	940514197	/nfs/dbraw/zinc/51/41/97/940514197.db2.gz	CWYIWAHXUXNLOU-UONOGXRCSA-N	1	0	366.259	1.573	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ccon2)C1	ZINC001131304866	940548223	/nfs/dbraw/zinc/54/82/23/940548223.db2.gz	WBYQJYMPVYZOCJ-IMJJTQAJSA-N	1	0	360.414	1.360	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cnco2)C1	ZINC001131310408	940550209	/nfs/dbraw/zinc/55/02/09/940550209.db2.gz	QMFLVXRNSBABLU-LZWOXQAQSA-N	1	0	360.414	1.360	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CC(C)C)C[C@H]32)C1	ZINC001131323304	940551880	/nfs/dbraw/zinc/55/18/80/940551880.db2.gz	YFJGOJZLTRMGJI-ZACQAIPSSA-N	1	0	365.474	1.341	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(=O)NCC[N@@H+](CCCCC)CC1	ZINC001131388807	940561960	/nfs/dbraw/zinc/56/19/60/940561960.db2.gz	YTNUHKLCYOJXDJ-HKUYNNGSSA-N	1	0	365.518	1.808	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC2CC2)CC1	ZINC001131408369	940565405	/nfs/dbraw/zinc/56/54/05/940565405.db2.gz	IIGOXZMHYBPOLA-YJLNNSPDSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1	ZINC001131442640	940592126	/nfs/dbraw/zinc/59/21/26/940592126.db2.gz	VPYMNPSMPHYSOZ-JQHSSLGASA-N	1	0	354.491	1.336	20	30		FDEDRO
Cn1nc(C2CC2)nc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1	ZINC001086668831	940595227	/nfs/dbraw/zinc/59/52/27/940595227.db2.gz	AIJNDIKCMIWKHJ-SWLSCSKDSA-N	1	0	367.457	1.581	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)SC)CC1	ZINC001131431936	940595286	/nfs/dbraw/zinc/59/52/86/940595286.db2.gz	WZVOHLXYFPZVNX-UAGQMJEPSA-N	1	0	356.532	1.926	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1=O	ZINC001086668840	940595719	/nfs/dbraw/zinc/59/57/19/940595719.db2.gz	ARQNQCZUDTWAES-IMJJTQAJSA-N	1	0	355.442	1.161	20	30		FDEDRO
C=CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(=O)NCCC)CC1	ZINC001131448618	940602197	/nfs/dbraw/zinc/60/21/97/940602197.db2.gz	IUVIEPWNOYQAAQ-WDYCEAGBSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(=O)NCC=C)CC1	ZINC001131448697	940602280	/nfs/dbraw/zinc/60/22/80/940602280.db2.gz	MYRAZLVUSHEZSU-WDYCEAGBSA-N	1	0	363.502	1.629	20	30		FDEDRO
C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2ccnn2C)CC1	ZINC001131454259	940608392	/nfs/dbraw/zinc/60/83/92/940608392.db2.gz	SMXULTXKBIKJHB-MJGOQNOKSA-N	1	0	362.474	1.108	20	30		FDEDRO
CCCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC#CCOC)CC1	ZINC001131445210	940616461	/nfs/dbraw/zinc/61/64/61/940616461.db2.gz	OAKRYQBGNLERFA-MJGOQNOKSA-N	1	0	352.475	1.049	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ocnc2C)CC1	ZINC001131464682	940622716	/nfs/dbraw/zinc/62/27/16/940622716.db2.gz	ZSNZFJWVCRKEKM-AEFFLSMTSA-N	1	0	361.442	1.232	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCNC(=O)C2)CC1	ZINC001131467472	940623550	/nfs/dbraw/zinc/62/35/50/940623550.db2.gz	ARPSDGLZZDZZSS-LMMKCTJWSA-N	1	0	363.502	1.465	20	30		FDEDRO
COCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1	ZINC001131479161	940635489	/nfs/dbraw/zinc/63/54/89/940635489.db2.gz	XXYKIVYKGFSRMG-MSOLQXFVSA-N	1	0	360.458	1.522	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2ccnn2C)CC1	ZINC001131480794	940636739	/nfs/dbraw/zinc/63/67/39/940636739.db2.gz	RWVHIEKDOCMTPB-QUCCMNQESA-N	1	0	360.502	1.915	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC2(F)F)CC1	ZINC001131493841	940644516	/nfs/dbraw/zinc/64/45/16/940644516.db2.gz	SVQFTWHCUHTTBJ-OAGGEKHMSA-N	1	0	356.413	1.277	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H](C)NC(N)=O)CC1	ZINC001131495752	940646799	/nfs/dbraw/zinc/64/67/99/940646799.db2.gz	CUXNPGJQIBKLML-LESCRADOSA-N	1	0	366.506	1.385	20	30		FDEDRO
C#CCOCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=C)Cl)CC1	ZINC001131498730	940648951	/nfs/dbraw/zinc/64/89/51/940648951.db2.gz	KWBGEMXKFNYUQW-AEFFLSMTSA-N	1	0	354.878	1.765	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	ZINC001131505800	940664766	/nfs/dbraw/zinc/66/47/66/940664766.db2.gz	BIENVSDIIHRYFW-LTIDMASMSA-N	1	0	351.491	1.320	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccc3ncnn32)CC1	ZINC001131528574	940698785	/nfs/dbraw/zinc/69/87/85/940698785.db2.gz	ZGYIIWDCQNOMCP-APWZRJJASA-N	1	0	367.453	1.352	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC2(C)CC2)CC1	ZINC001131531790	940700857	/nfs/dbraw/zinc/70/08/57/940700857.db2.gz	ITHYSLXTLSNFFV-APWZRJJASA-N	1	0	363.502	1.465	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](F)C(C)C)CC1	ZINC001131543447	940718975	/nfs/dbraw/zinc/71/89/75/940718975.db2.gz	CBWGFIPFVXIBIH-KURKYZTESA-N	1	0	354.466	1.616	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1	ZINC001131545935	940721732	/nfs/dbraw/zinc/72/17/32/940721732.db2.gz	GWFRQYKIRRJSGO-LFDJNIOPSA-N	1	0	364.486	1.067	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H]2CCC(=O)N2C)CC1	ZINC001131537948	940725917	/nfs/dbraw/zinc/72/59/17/940725917.db2.gz	CBYVFNGHZBYKCC-HLIPFELVSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(=O)N(C)C)CC1	ZINC001131558163	940732877	/nfs/dbraw/zinc/73/28/77/940732877.db2.gz	KMZBQSFADNZBNX-WDYCEAGBSA-N	1	0	365.518	1.805	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)c2cncnc2)CC1	ZINC001131549829	940738289	/nfs/dbraw/zinc/73/82/89/940738289.db2.gz	AUBIZDJPIIGVNZ-LZQZEXGQSA-N	1	0	356.470	1.589	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(CF)CCOCC2)CC1	ZINC001131570141	940746160	/nfs/dbraw/zinc/74/61/60/940746160.db2.gz	CQURFWLCPRHBJX-MSOLQXFVSA-N	1	0	366.477	1.762	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC(=O)N(C)C)CC1	ZINC001131574927	940751552	/nfs/dbraw/zinc/75/15/52/940751552.db2.gz	LHAWIDBFZIYOML-APWZRJJASA-N	1	0	351.491	1.417	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H](C)COC)CC1	ZINC001131588080	940757148	/nfs/dbraw/zinc/75/71/48/940757148.db2.gz	PGUQTGRZFMAJHL-HQRMLTQVSA-N	1	0	366.502	1.295	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c[nH]c(C)cc2=O)CC1	ZINC001131588125	940757221	/nfs/dbraw/zinc/75/72/21/940757221.db2.gz	SBRPGHGRAHNGEP-MJGOQNOKSA-N	1	0	357.454	1.306	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(=O)N2CC[C@@H](C)C2)CC1	ZINC001131590554	940760174	/nfs/dbraw/zinc/76/01/74/940760174.db2.gz	JBEQBUFWCSZTGY-NXHRZFHOSA-N	1	0	363.502	1.417	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2cnccn2)CC1	ZINC001131590528	940760292	/nfs/dbraw/zinc/76/02/92/940760292.db2.gz	GWHBOSCKIHYHIU-QUCCMNQESA-N	1	0	356.470	1.418	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn3c2CCCC3)CC1	ZINC001131590854	940760999	/nfs/dbraw/zinc/76/09/99/940760999.db2.gz	VYESNYDHFOZGCX-QUCCMNQESA-N	1	0	370.497	1.842	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccnc2N(C)C)CC1	ZINC001131605149	940775031	/nfs/dbraw/zinc/77/50/31/940775031.db2.gz	ZSJORMWQACCPEX-MOPGFXCFSA-N	1	0	370.497	1.770	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCS2(=O)=O)CC1	ZINC001131606688	940776151	/nfs/dbraw/zinc/77/61/51/940776151.db2.gz	AGYLSPNQPSNNKQ-IKGGRYGDSA-N	1	0	370.515	1.125	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](NC(C)=O)C(C)C)CC1	ZINC001131595403	940778320	/nfs/dbraw/zinc/77/83/20/940778320.db2.gz	XLBNXBFLFBXTCO-QRVBRYPASA-N	1	0	363.502	1.156	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2cncn2C)CC1	ZINC001131599685	940783032	/nfs/dbraw/zinc/78/30/32/940783032.db2.gz	HFZNBAPVIUGDHV-QUCCMNQESA-N	1	0	358.486	1.362	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCc2cccnc2)CC1	ZINC001131599974	940783632	/nfs/dbraw/zinc/78/36/32/940783632.db2.gz	QFQVXGPXIUQUKW-CTNGQTDRSA-N	1	0	371.481	1.607	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c(C)n[nH]c2C)CC1	ZINC001131602605	940786152	/nfs/dbraw/zinc/78/61/52/940786152.db2.gz	YOPPPCNWXIPHPZ-QUCCMNQESA-N	1	0	358.486	1.578	20	30		FDEDRO
C=CCCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H](C)OC)CC1	ZINC001131610268	940789915	/nfs/dbraw/zinc/78/99/15/940789915.db2.gz	JBHYQMAPQWKKAH-WDYCEAGBSA-N	1	0	354.491	1.600	20	30		FDEDRO
C=CCCCCC[NH2+]CCNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	ZINC001131613958	940793212	/nfs/dbraw/zinc/79/32/12/940793212.db2.gz	TUERLONBGPFVTL-MSOLQXFVSA-N	1	0	353.507	1.318	20	30		FDEDRO
Cn1nccc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]Cc1ccc(OCC#N)cc1	ZINC001131630689	940802108	/nfs/dbraw/zinc/80/21/08/940802108.db2.gz	MZWPSHRBRYZISX-IAGOWNOFSA-N	1	0	353.426	1.332	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)CC(C)C)cc1C#N	ZINC000809501384	940844149	/nfs/dbraw/zinc/84/41/49/940844149.db2.gz	GDMRAFGXYZPMQY-UHFFFAOYSA-N	1	0	360.458	1.229	20	30		FDEDRO
COc1ncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)c(C)n1	ZINC001086676060	940924096	/nfs/dbraw/zinc/92/40/96/940924096.db2.gz	RHTDAXFJYOGEQY-DZGCQCFKSA-N	1	0	368.441	1.682	20	30		FDEDRO
CC(C)Cn1ncnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1	ZINC001086676086	940924460	/nfs/dbraw/zinc/92/44/60/940924460.db2.gz	UCPOLPLQCARMSS-LSDHHAIUSA-N	1	0	369.473	1.822	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=NOCc2nnn(CC(F)(F)F)n2)cc1	ZINC000809997366	940935967	/nfs/dbraw/zinc/93/59/67/940935967.db2.gz	WDTIKEXAZZRATE-UHFFFAOYSA-N	1	0	357.340	1.134	20	30		FDEDRO
Cc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1C1CC1	ZINC001086676733	940949139	/nfs/dbraw/zinc/94/91/39/940949139.db2.gz	SCPBYVWPPKSHKZ-DZGCQCFKSA-N	1	0	367.457	1.810	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@@H](F)C2CN(C(=O)OC(C)(C)C)C2)CC1	ZINC000810119517	940959517	/nfs/dbraw/zinc/95/95/17/940959517.db2.gz	UDKIXDFJLQNVGM-ZDUSSCGKSA-N	1	0	354.426	1.296	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(Cl)cc2C)C1	ZINC001195215645	970771418	/nfs/dbraw/zinc/77/14/18/970771418.db2.gz	WHDSKLLPGGQFMD-IAGOWNOFSA-N	1	0	352.862	1.934	20	30		FDEDRO
C[N@H+](Cc1ccccc1)CC(C)(C)CN=Nc1nc2[nH][nH]cc-2c(=O)n1	ZINC000747631192	941050442	/nfs/dbraw/zinc/05/04/42/941050442.db2.gz	DGNBICPORRTXSC-UHFFFAOYSA-N	1	0	353.430	1.988	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc[nH]c3CC)C2)C1=O	ZINC001086689454	941097875	/nfs/dbraw/zinc/09/78/75/941097875.db2.gz	QUIPDOAYZYDMMI-HDMKZQKVSA-N	1	0	358.486	1.852	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C)nnc3C)C2)C1=O	ZINC001086706860	941263597	/nfs/dbraw/zinc/26/35/97/941263597.db2.gz	VILWAQXZSQNPJF-LZLYRXPVSA-N	1	0	371.485	1.368	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](Cc2ccc(OCc3nccn3C)cc2)CC1	ZINC000747816365	941274290	/nfs/dbraw/zinc/27/42/90/941274290.db2.gz	BGZYZKNCGBEVIT-UHFFFAOYSA-N	1	0	366.465	1.961	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)N(C)Cc2cccc(F)c2)CC1	ZINC000747822738	941279444	/nfs/dbraw/zinc/27/94/44/941279444.db2.gz	DVAWVNVATRLLBK-HNNXBMFYSA-N	1	0	359.445	1.634	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1	ZINC000747823959	941280314	/nfs/dbraw/zinc/28/03/14/941280314.db2.gz	IXGWIXFZSDKMAH-UHFFFAOYSA-N	1	0	358.398	1.385	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)CC1	ZINC000812839930	941282733	/nfs/dbraw/zinc/28/27/33/941282733.db2.gz	CYTHCNKKVMLVBW-WCIQWLHISA-N	1	0	361.530	1.415	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccc(F)cc2)C[C@H]1O	ZINC001195254541	970796110	/nfs/dbraw/zinc/79/61/10/970796110.db2.gz	DCOAKWWHSQHFSZ-RCCFBDPRSA-N	1	0	364.461	1.493	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)Nc1ccc(C)c(F)c1	ZINC001134061875	941540479	/nfs/dbraw/zinc/54/04/79/941540479.db2.gz	HWHAKVKROZMJCO-LXZKKBNFSA-N	1	0	363.433	1.758	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)N1CCCc2ccccc21	ZINC001134061881	941540502	/nfs/dbraw/zinc/54/05/02/941540502.db2.gz	IEAUOCBMXZMTOZ-WDYCEAGBSA-N	1	0	371.481	1.651	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1	ZINC001134129937	941567542	/nfs/dbraw/zinc/56/75/42/941567542.db2.gz	ZWYFRBNYDHPRKA-HYVNUMGLSA-N	1	0	361.490	1.043	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1	ZINC000814180735	941569027	/nfs/dbraw/zinc/56/90/27/941569027.db2.gz	OQEQOUHNFDBVJW-RTBURBONSA-N	1	0	373.497	1.804	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cn(CC)nn2)C1	ZINC001086718241	941582190	/nfs/dbraw/zinc/58/21/90/941582190.db2.gz	OGWNHZYTORKWMD-JKSUJKDBSA-N	1	0	356.474	1.974	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnc(C)s2)C1	ZINC001086720925	941620598	/nfs/dbraw/zinc/62/05/98/941620598.db2.gz	VOROYXNMVQFIKJ-JZXOWHBKSA-N	1	0	360.527	1.924	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2snnc2C)C1	ZINC001086721432	941647066	/nfs/dbraw/zinc/64/70/66/941647066.db2.gz	YWQODJOJYQMYOU-XHSDSOJGSA-N	1	0	361.515	1.319	20	30		FDEDRO
C=C[C@@H](O)C(=O)OCC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1	ZINC000814543302	941673980	/nfs/dbraw/zinc/67/39/80/941673980.db2.gz	FAUWAVUGHVJORP-JKSUJKDBSA-N	1	0	366.845	1.683	20	30		FDEDRO
C[NH+](C)CCCNC(=S)NN=Cc1ccc(Cl)cc1-n1cncn1	ZINC000814845617	941731000	/nfs/dbraw/zinc/73/10/00/941731000.db2.gz	PQXDERRHLFPMPP-UHFFFAOYSA-N	1	0	365.894	1.670	20	30		FDEDRO
CC(N=Nc1nccc(N2CCOCC2)n1)c1ccc2c(c1)CC[NH2+]CC2	ZINC000814871440	941733995	/nfs/dbraw/zinc/73/39/95/941733995.db2.gz	SHIADMWNHYSYGX-UHFFFAOYSA-N	1	0	366.469	1.838	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cn[nH]c(=O)c3)C2)c1	ZINC001086726052	941750242	/nfs/dbraw/zinc/75/02/42/941750242.db2.gz	KDEOSPOFWWEWKR-DOTOQJQBSA-N	1	0	351.410	1.742	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1c(F)cccc1OC(F)(F)F	ZINC000815082251	941777903	/nfs/dbraw/zinc/77/79/03/941777903.db2.gz	HHZUOBVVJMREFV-UHFFFAOYSA-N	1	0	368.352	1.958	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N(CC(C)C)CC(C)C	ZINC001135145400	941929053	/nfs/dbraw/zinc/92/90/53/941929053.db2.gz	GXSCZTVSGQAQQH-HKUYNNGSSA-N	1	0	367.534	1.814	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NCc1cccs1	ZINC001135145758	941929645	/nfs/dbraw/zinc/92/96/45/941929645.db2.gz	SGJMIWGQSRGXBW-KBMXLJTQSA-N	1	0	365.499	1.440	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1cc(C)cc(C)c1	ZINC001135147847	941934953	/nfs/dbraw/zinc/93/49/53/941934953.db2.gz	PYNHHTNEBHXLHJ-HKUYNNGSSA-N	1	0	359.470	1.929	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccnn1CCc1ccccc1	ZINC000815861021	941997453	/nfs/dbraw/zinc/99/74/53/941997453.db2.gz	MZRMMARIKFBVIZ-UHFFFAOYSA-N	1	0	367.453	1.136	20	30		FDEDRO
Cn1ccc(=O)c(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)c1	ZINC001086754298	942316864	/nfs/dbraw/zinc/31/68/64/942316864.db2.gz	JRCSQGOQLGUENF-ZWKOTPCHSA-N	1	0	364.449	1.945	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2c(C)nc[nH]c2=O)C1	ZINC001086783106	942490765	/nfs/dbraw/zinc/49/07/65/942490765.db2.gz	IOJBUUKNHDDSHT-NWDGAFQWSA-N	1	0	369.263	1.887	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)N(C)CC	ZINC001170854315	942506985	/nfs/dbraw/zinc/50/69/85/942506985.db2.gz	YMOMNYDWHHPDIF-BBWFWOEESA-N	1	0	353.507	1.711	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc(CC)n3C)C2)c1	ZINC001086798261	942615011	/nfs/dbraw/zinc/61/50/11/942615011.db2.gz	DZQZYRXNJRLFNE-DOTOQJQBSA-N	1	0	366.469	1.442	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1	ZINC001086804232	942768891	/nfs/dbraw/zinc/76/88/91/942768891.db2.gz	ZLYFIXZBTOMQAG-UWWPHRKUSA-N	1	0	374.510	1.719	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1	ZINC000817445988	942786539	/nfs/dbraw/zinc/78/65/39/942786539.db2.gz	RPURSVKZBJWHOY-IRXDYDNUSA-N	1	0	355.482	1.768	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ncnn2CCF)C1	ZINC001086806224	942802988	/nfs/dbraw/zinc/80/29/88/942802988.db2.gz	IWXNVDZGLPOKLC-JJXSEGSLSA-N	1	0	365.453	1.213	20	30		FDEDRO
[NH3+][C@H](CCC(=O)NCCNC(=O)C1N=CC=CC1=O)CC1CCCCC1	ZINC000818115974	943163818	/nfs/dbraw/zinc/16/38/18/943163818.db2.gz	DXAQCALFUVWSEO-AMGRQBIBSA-N	1	0	362.474	1.707	20	30		FDEDRO
CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)[C@@H]([NH3+])CCCC#N	ZINC000818123785	943188267	/nfs/dbraw/zinc/18/82/67/943188267.db2.gz	ZVIQCTGNTUTGJL-LBPRGKRZSA-N	1	0	373.862	1.723	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1	ZINC000818584100	943294418	/nfs/dbraw/zinc/29/44/18/943294418.db2.gz	FATNNYZDARGTQH-UHFFFAOYSA-N	1	0	355.398	1.680	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1	ZINC000818589130	943297426	/nfs/dbraw/zinc/29/74/26/943297426.db2.gz	RUWJQVNTUCGJFM-KURKYZTESA-N	1	0	355.486	1.685	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F	ZINC000818611913	943302163	/nfs/dbraw/zinc/30/21/63/943302163.db2.gz	IHTMMCLIRVELST-AWEZNQCLSA-N	1	0	373.444	1.950	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]CCNc2ccc(C#N)cn2)cc1	ZINC000818952399	943361647	/nfs/dbraw/zinc/36/16/47/943361647.db2.gz	KSELWRFCMQOWTG-KRWDZBQOSA-N	1	0	351.410	1.461	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2	ZINC000818979405	943368426	/nfs/dbraw/zinc/36/84/26/943368426.db2.gz	LKZMCUFCQKUIKH-LBPRGKRZSA-N	1	0	355.232	1.809	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]CCC(=O)Nc1cc(Br)ccc1C	ZINC000818991170	943375572	/nfs/dbraw/zinc/37/55/72/943375572.db2.gz	YBZTVPXAPZYZPZ-UHFFFAOYSA-N	1	0	366.259	1.815	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]CCc1ccc(I)s1	ZINC000819004545	943381196	/nfs/dbraw/zinc/38/11/96/943381196.db2.gz	BHXPAIAYMHDMOQ-UHFFFAOYSA-N	1	0	362.236	1.624	20	30		FDEDRO
CN(CC[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC(C)(C)C	ZINC000819004607	943381424	/nfs/dbraw/zinc/38/14/24/943381424.db2.gz	DHRHLLQBWSRQNH-UHFFFAOYSA-N	1	0	367.471	1.788	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=C)Br)C2)nn1	ZINC001086822910	943382815	/nfs/dbraw/zinc/38/28/15/943382815.db2.gz	CWGRBSARFJCZHN-QWHCGFSZSA-N	1	0	368.279	1.861	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nccc(C)n3)C2)nn1	ZINC001086823178	943384474	/nfs/dbraw/zinc/38/44/74/943384474.db2.gz	QFUATJZMKVVPNJ-LSDHHAIUSA-N	1	0	355.446	1.251	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc1	ZINC000819060566	943399532	/nfs/dbraw/zinc/39/95/32/943399532.db2.gz	PFNDUIASSIBPRB-OAHLLOKOSA-N	1	0	373.425	1.446	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)nc1	ZINC000819199434	943472600	/nfs/dbraw/zinc/47/26/00/943472600.db2.gz	WOTLJPJFQAVUHY-NFAWXSAZSA-N	1	0	369.537	1.696	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1	ZINC000819246171	943481756	/nfs/dbraw/zinc/48/17/56/943481756.db2.gz	DNAFNGCYNBJUNE-CVEARBPZSA-N	1	0	354.495	1.572	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl	ZINC000819221941	943494255	/nfs/dbraw/zinc/49/42/55/943494255.db2.gz	JUHGCBIFTUSTTE-LBPRGKRZSA-N	1	0	368.282	1.924	20	30		FDEDRO
Cn1ccnc1CN1CCC[C@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)C1=O	ZINC000819222340	943494798	/nfs/dbraw/zinc/49/47/98/943494798.db2.gz	POJHUHCJVJXDBK-IRXDYDNUSA-N	1	0	353.426	1.106	20	30		FDEDRO
C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]C[C@H](O)c1ccc(C#N)cc1	ZINC000819299651	943509287	/nfs/dbraw/zinc/50/92/87/943509287.db2.gz	YWIXLGQVRWWKTD-BEFAXECRSA-N	1	0	373.478	1.938	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2	ZINC000819327054	943527991	/nfs/dbraw/zinc/52/79/91/943527991.db2.gz	ZLPSDUBJZYLWPI-HOTGVXAUSA-N	1	0	366.506	1.572	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1	ZINC000819358498	943541099	/nfs/dbraw/zinc/54/10/99/943541099.db2.gz	JGVZKPTVRPHAGY-OAHLLOKOSA-N	1	0	368.428	1.097	20	30		FDEDRO
COc1ccc(N2CCN(C[C@@H](O)C[NH2+]CC(C)(C)CC#N)CC2)cc1	ZINC000819363817	943557229	/nfs/dbraw/zinc/55/72/29/943557229.db2.gz	OGJLJVMKWRHJRL-SFHVURJKSA-N	1	0	360.502	1.708	20	30		FDEDRO
Cn1ncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)n1	ZINC001086827905	943579475	/nfs/dbraw/zinc/57/94/75/943579475.db2.gz	PXXLYJSOASJCIC-SWLSCSKDSA-N	1	0	356.405	1.514	20	30		FDEDRO
O=C(N[C@H]1CCN(O)C1=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1	ZINC000820185191	943939584	/nfs/dbraw/zinc/93/95/84/943939584.db2.gz	JXVYYPFGSKYGSD-XJKSGUPXSA-N	1	0	371.359	1.547	20	30		FDEDRO
CON=C(C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1csc(N)n1	ZINC000821365939	944461128	/nfs/dbraw/zinc/46/11/28/944461128.db2.gz	PDTRVSTXGPMNFR-SWLSCSKDSA-N	1	0	359.455	1.637	20	30		FDEDRO
COCC[N@H+](C)CCCC1CCN(C(=O)[C@@]2(C#N)CCCOC2)CC1	ZINC000867120892	971095960	/nfs/dbraw/zinc/09/59/60/971095960.db2.gz	XQBUCOSMIUYLPM-LJQANCHMSA-N	1	0	351.491	1.904	20	30		FDEDRO
COC(=O)c1ccc(C(=[NH2+])Nc2ccc3c(c2)-n2c(noc2=O)CO3)cc1	ZINC001170983837	944931353	/nfs/dbraw/zinc/93/13/53/944931353.db2.gz	GKGVOKTWUXYJSY-UHFFFAOYSA-N	1	0	366.333	1.542	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccncc1	ZINC000805816186	945533833	/nfs/dbraw/zinc/53/38/33/945533833.db2.gz	YVZKRCPRGAWTJT-ZWKOTPCHSA-N	1	0	356.470	1.902	20	30		FDEDRO
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1	ZINC001090730819	946025520	/nfs/dbraw/zinc/02/55/20/946025520.db2.gz	HKCXQXIYOGREJF-HZPDHXFCSA-N	1	0	356.474	1.555	20	30		FDEDRO
C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(N2CC[C@@H](O)C2)C1	ZINC000824019328	946179103	/nfs/dbraw/zinc/17/91/03/946179103.db2.gz	UITYWJJWBVRHHL-CVEARBPZSA-N	1	0	367.490	1.513	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)/C=C/c1ccc(C(N)=O)o1	ZINC000824367457	946376704	/nfs/dbraw/zinc/37/67/04/946376704.db2.gz	JZJXUKBJJCBYMK-VQHVLOKHSA-N	1	0	366.421	1.854	20	30		FDEDRO
C=CCN1CC[C@H](N2CC[C@@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)C1=O	ZINC000856584979	971236534	/nfs/dbraw/zinc/23/65/34/971236534.db2.gz	WIWXOCJIGMJEPC-MOPGFXCFSA-N	1	0	358.486	1.773	20	30		FDEDRO
CC[N@H+](C)Cc1cc(O[C@@H]2CCN([C@H](C)C(=O)N(C)CCC#N)C2)ccn1	ZINC000856592106	971240741	/nfs/dbraw/zinc/24/07/41/971240741.db2.gz	FHSOCDHFUCIXMD-VQIMIIECSA-N	1	0	373.501	1.747	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573281836	946681316	/nfs/dbraw/zinc/68/13/16/946681316.db2.gz	BNVOTENUWBCJLA-QGZVFWFLSA-N	1	0	352.442	1.751	20	30		FDEDRO
C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)C2	ZINC001573282682	946695587	/nfs/dbraw/zinc/69/55/87/946695587.db2.gz	LIKVFQTXSMDIDF-GOSISDBHSA-N	1	0	353.430	1.146	20	30		FDEDRO
C#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1	ZINC001573283833	946727197	/nfs/dbraw/zinc/72/71/97/946727197.db2.gz	WCTYPKIWJVIRHV-KGLIPLIRSA-N	1	0	353.430	1.002	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573284831	946759873	/nfs/dbraw/zinc/75/98/73/946759873.db2.gz	MVDWRZXGQGJPCL-CXAGYDPISA-N	1	0	370.432	1.746	20	30		FDEDRO
C#CCOCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1	ZINC001573290288	946902709	/nfs/dbraw/zinc/90/27/09/946902709.db2.gz	VFGDTNSRMANVTH-ZDUSSCGKSA-N	1	0	374.470	1.049	20	30		FDEDRO
CCc1noc(C[C@]2(O)CCC[N@H+](CCOc3ccccc3C#N)C2)n1	ZINC000856672967	971298683	/nfs/dbraw/zinc/29/86/83/971298683.db2.gz	VZYKJSFIOUKKNT-LJQANCHMSA-N	1	0	356.426	1.952	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C[C@H](O)CC(F)(F)F)C[C@H]2O)CC1	ZINC001195877238	971301259	/nfs/dbraw/zinc/30/12/59/971301259.db2.gz	XWAFQRXQFFBPNG-MGPQQGTHSA-N	1	0	350.381	1.207	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)C1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1	ZINC001573560221	946950422	/nfs/dbraw/zinc/95/04/22/946950422.db2.gz	AOAYCZGFWZNAKB-LBPRGKRZSA-N	1	0	371.420	1.588	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C(C)(C)C1	ZINC001573560383	946951611	/nfs/dbraw/zinc/95/16/11/946951611.db2.gz	BNAGVQBIIOMLPN-IAQYHMDHSA-N	1	0	371.420	1.492	20	30		FDEDRO
C=C(C)CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1	ZINC001573293640	946963128	/nfs/dbraw/zinc/96/31/28/946963128.db2.gz	DZVLPGRRMGXYSK-ZIAGYGMSSA-N	1	0	357.462	1.991	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C1	ZINC001573293734	946965406	/nfs/dbraw/zinc/96/54/06/946965406.db2.gz	ICZUYZAPVQEWHH-SOUVJXGZSA-N	1	0	369.473	1.991	20	30		FDEDRO
C[C@@H](COCC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1C)[NH+]1CCCC1	ZINC001090822003	946973484	/nfs/dbraw/zinc/97/34/84/946973484.db2.gz	BHHIYMRRXDQMBN-SOLBZPMBSA-N	1	0	371.485	1.395	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1	ZINC001573294591	946992240	/nfs/dbraw/zinc/99/22/40/946992240.db2.gz	DJSFJZSDOQMTOM-ZDUSSCGKSA-N	1	0	363.853	1.922	20	30		FDEDRO
C=C(Cl)C[NH+]1CCC(CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1	ZINC001573294811	946999609	/nfs/dbraw/zinc/99/96/09/946999609.db2.gz	HQXCRMVIGDXBKC-UHFFFAOYSA-N	1	0	363.853	1.779	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+](CCCO[C@@H]3CCOC3)C[C@H]2O)CCC1	ZINC001195939787	971310341	/nfs/dbraw/zinc/31/03/41/971310341.db2.gz	GINAOWISQZWDPR-BRWVUGGUSA-N	1	0	352.475	1.090	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC2(C1)CC[NH+](Cc1ccc(-c3nn[nH]n3)cc1)CC2	ZINC001573565608	947011657	/nfs/dbraw/zinc/01/16/57/947011657.db2.gz	SMICUVAMZTYCGY-CQSZACIVSA-N	1	0	365.441	1.451	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1	ZINC001573567617	947048091	/nfs/dbraw/zinc/04/80/91/947048091.db2.gz	PNHKGKXIOLVYGZ-TZMCWYRMSA-N	1	0	371.420	1.588	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573568019	947062591	/nfs/dbraw/zinc/06/25/91/947062591.db2.gz	WMLJMNXXJBVCIM-STQMWFEESA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21	ZINC001573569808	947078162	/nfs/dbraw/zinc/07/81/62/947078162.db2.gz	FRIAMOHBPPKFPL-DUVNUKRYSA-N	1	0	351.414	1.059	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@](C)(C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1	ZINC001573570483	947089305	/nfs/dbraw/zinc/08/93/05/947089305.db2.gz	PZMZBEINXKCZRO-KZULUSFZSA-N	1	0	353.430	1.401	20	30		FDEDRO
C=CCCC1(C(=O)N[C@@H]2C[N@@H+](CCCOCC(F)(F)F)C[C@H]2O)CC1	ZINC001195923933	971324138	/nfs/dbraw/zinc/32/41/38/971324138.db2.gz	PQUJJPUCROZKKM-ZIAGYGMSSA-N	1	0	364.408	1.863	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1(C)C	ZINC001573571894	947105096	/nfs/dbraw/zinc/10/50/96/947105096.db2.gz	BIBVKZYZFOGERH-CJNGLKHVSA-N	1	0	367.457	1.743	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H](CCCC)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573300472	947113736	/nfs/dbraw/zinc/11/37/36/947113736.db2.gz	YBCPIDDCGXVGPR-GFCCVEGCSA-N	1	0	351.842	1.826	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1(C)C	ZINC001573572684	947114419	/nfs/dbraw/zinc/11/44/19/947114419.db2.gz	JIRFPBWPRAESSZ-XJKSGUPXSA-N	1	0	367.457	1.743	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1	ZINC001573572918	947117061	/nfs/dbraw/zinc/11/70/61/947117061.db2.gz	KSYUXTXAIUBZPF-ZFWWWQNUSA-N	1	0	353.430	1.497	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1CC12CC[NH+](Cc1ccc(-c3nn[nH]n3)cc1)CC2	ZINC001573573034	947117696	/nfs/dbraw/zinc/11/76/96/947117696.db2.gz	LJJSTJPYODENLP-CZUORRHYSA-N	1	0	365.441	1.497	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC1([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCCC1	ZINC001573577872	947176682	/nfs/dbraw/zinc/17/66/82/947176682.db2.gz	UPGZMMMPPNMOFB-GFCCVEGCSA-N	1	0	371.420	1.684	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1	ZINC001573581928	947184485	/nfs/dbraw/zinc/18/44/85/947184485.db2.gz	ANCDHFDDFKZUJF-VXGBXAGGSA-N	1	0	359.459	1.416	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@@H]1CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573583117	947199874	/nfs/dbraw/zinc/19/98/74/947199874.db2.gz	JSMDAIKCINVXBT-RYUDHWBXSA-N	1	0	357.393	1.104	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)NCC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)C1CC1	ZINC001573310235	947218768	/nfs/dbraw/zinc/21/87/68/947218768.db2.gz	VKIIXCJYZHYOKT-LJQANCHMSA-N	1	0	370.457	1.274	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1C	ZINC001573584317	947219253	/nfs/dbraw/zinc/21/92/53/947219253.db2.gz	TZFUGNSBJFXCRP-OUCADQQQSA-N	1	0	371.420	1.350	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573584507	947223141	/nfs/dbraw/zinc/22/31/41/947223141.db2.gz	XBRXIUCJENXLOF-GXTWGEPZSA-N	1	0	371.420	1.494	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1CCC(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1	ZINC001573314351	947230462	/nfs/dbraw/zinc/23/04/62/947230462.db2.gz	BGZFJZLJALLNTJ-AWEZNQCLSA-N	1	0	369.473	1.936	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573584804	947235855	/nfs/dbraw/zinc/23/58/55/947235855.db2.gz	FNCUUSUOEUKTPP-IUIKQTSFSA-N	1	0	371.420	1.682	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1	ZINC001573585073	947244305	/nfs/dbraw/zinc/24/43/05/947244305.db2.gz	KCMHOXVHHZHJJL-HFBAOOFYSA-N	1	0	371.420	1.682	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1c1ccc(OC)cc1	ZINC001090863019	947307517	/nfs/dbraw/zinc/30/75/17/947307517.db2.gz	VAZKMFFMDBDUER-DOTOQJQBSA-N	1	0	354.410	1.575	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1	ZINC001573320728	947354954	/nfs/dbraw/zinc/35/49/54/947354954.db2.gz	ZAWVNEGQBYCXQE-CYBMUJFWSA-N	1	0	355.446	1.689	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1c1ccc(OC)cc1	ZINC001090870862	947415390	/nfs/dbraw/zinc/41/53/90/947415390.db2.gz	PHIFEBYLVZSXOD-ZWKOTPCHSA-N	1	0	369.469	1.785	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1c1ccc(OC)cc1	ZINC001090874890	947484052	/nfs/dbraw/zinc/48/40/52/947484052.db2.gz	WXTPVIPDSIBDFZ-NZSAHSFTSA-N	1	0	371.481	1.682	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@]2(CC)CCNC2=O)C[C@H]1c1ccc(OC)cc1	ZINC001090875003	947487258	/nfs/dbraw/zinc/48/72/58/947487258.db2.gz	YYEJBGKVAMSLNQ-UEXGIBASSA-N	1	0	371.481	1.682	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573335932	947491740	/nfs/dbraw/zinc/49/17/40/947491740.db2.gz	GBTCIMCTUXCUDX-HNNXBMFYSA-N	1	0	374.420	1.289	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H]([NH2+]CCO)C1	ZINC001090872337	947498370	/nfs/dbraw/zinc/49/83/70/947498370.db2.gz	KIWVVFGWBDAHBB-WCIQWLHISA-N	1	0	374.481	1.553	20	30		FDEDRO
C=CCOCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1	ZINC001573343302	947554555	/nfs/dbraw/zinc/55/45/55/947554555.db2.gz	MRPWDGDIHHZSRI-HAQNSBGRSA-N	1	0	362.459	1.115	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)[C@H]1C	ZINC001573344214	947568854	/nfs/dbraw/zinc/56/88/54/947568854.db2.gz	ZIYDDHXNUDSEQN-CZUORRHYSA-N	1	0	356.430	1.148	20	30		FDEDRO
C=CCOCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573348036	947579927	/nfs/dbraw/zinc/57/99/27/947579927.db2.gz	LPHBCNNKNWIXEO-HNNXBMFYSA-N	1	0	373.461	1.324	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]2NCC#N)cc1	ZINC001090880734	947595498	/nfs/dbraw/zinc/59/54/98/947595498.db2.gz	IDCVIXJBSIHKSR-AYOQOUSVSA-N	1	0	356.470	1.445	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@H]1c1ccc(OC)cc1	ZINC001090884584	947645875	/nfs/dbraw/zinc/64/58/75/947645875.db2.gz	WRXNUKAUEDKLNJ-RBUKOAKNSA-N	1	0	365.433	1.225	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCn2cc(C)cn2)C[C@H]1c1ccc(OC)cc1	ZINC001090885235	947660304	/nfs/dbraw/zinc/66/03/04/947660304.db2.gz	IJLILSGQGDPXKZ-VQTJNVASSA-N	1	0	366.465	1.808	20	30		FDEDRO
CC#CC[NH2+]Cc1ccc(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)c(F)c1	ZINC001573359206	947681794	/nfs/dbraw/zinc/68/17/94/947681794.db2.gz	XDKBNNSDOAOKRN-UHFFFAOYSA-N	1	0	367.388	1.377	20	30		FDEDRO
CO[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)CCC[NH+]1CCCC1	ZINC001090892572	947749201	/nfs/dbraw/zinc/74/92/01/947749201.db2.gz	VMUJSBHHUDUYEH-IAGOWNOFSA-N	1	0	357.458	1.149	20	30		FDEDRO
C[C@H](C#N)OCC[NH+]1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1	ZINC000844356670	948009363	/nfs/dbraw/zinc/00/93/63/948009363.db2.gz	IMRHFYXINHIZHW-HUUCEWRRSA-N	1	0	365.474	1.570	20	30		FDEDRO
C[N@H+](CCc1ccc(S(N)(=O)=O)cc1)C[C@H](O)c1cccc(C#N)c1	ZINC000844368526	948018978	/nfs/dbraw/zinc/01/89/78/948018978.db2.gz	YCQSWILPSHLGRH-SFHVURJKSA-N	1	0	359.451	1.414	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](OCC)C2)C1=O	ZINC000844407692	948060029	/nfs/dbraw/zinc/06/00/29/948060029.db2.gz	ZWPIMTYZYNZSLC-OWCLPIDISA-N	1	0	367.490	1.635	20	30		FDEDRO
CO[C@@H]1CN(c2nc(C)ccc2C#N)C[C@H]1NC(=O)C[N@H+](C)C1CCC1	ZINC001090948476	948081796	/nfs/dbraw/zinc/08/17/96/948081796.db2.gz	RTEMDJUTPJGOPG-IAGOWNOFSA-N	1	0	357.458	1.066	20	30		FDEDRO
C#Cc1cccc(NC(=O)NC(=O)CN2CCC([NH+]3CCOCC3)CC2)c1	ZINC001196095480	971454990	/nfs/dbraw/zinc/45/49/90/971454990.db2.gz	WEYHAVPMUQWZSS-UHFFFAOYSA-N	1	0	370.453	1.113	20	30		FDEDRO
CN1CCN(c2ncnc3c2CC[N@H+](Cc2cncc(C#N)c2)CC3)CC1	ZINC001144079681	948199117	/nfs/dbraw/zinc/19/91/17/948199117.db2.gz	BSZYHMITBJUVEY-UHFFFAOYSA-N	1	0	363.469	1.096	20	30		FDEDRO
CN1CC[NH+](C[C@H]2Cn3ccnc3CN(Cc3cncc(C#N)c3)C2)CC1	ZINC001144080331	948200025	/nfs/dbraw/zinc/20/00/25/948200025.db2.gz	IPNADHKGQBIUNP-LJQANCHMSA-N	1	0	365.485	1.029	20	30		FDEDRO
N#Cc1cncc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@@H]3CC(=O)NCC3CC3)C2)c1	ZINC001144080273	948200058	/nfs/dbraw/zinc/20/00/58/948200058.db2.gz	HCGLKHXQJDAMNT-GUDVDZBRSA-N	1	0	354.454	1.706	20	30		FDEDRO
C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1Nc1nc(C#N)c(Cl)s1	ZINC001090988716	948247396	/nfs/dbraw/zinc/24/73/96/948247396.db2.gz	GLGYCZPMORSZGY-ZYHUDNBSSA-N	1	0	371.894	1.505	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C(=O)OC)Oc3cc(F)ccc32)CC1	ZINC000844644814	948279739	/nfs/dbraw/zinc/27/97/39/948279739.db2.gz	NUGHMGADGWIZSK-KRWDZBQOSA-N	1	0	360.385	1.438	20	30		FDEDRO
C=C(C(=O)N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1)C(F)(F)F	ZINC001144207584	948380799	/nfs/dbraw/zinc/38/07/99/948380799.db2.gz	OQSYOTGVAHZTSV-UHFFFAOYSA-N	1	0	372.391	1.934	20	30		FDEDRO
C[C@H](COCC(=O)N1C[C@@H](C)[C@H](Nc2ccc(C#N)cn2)C1)[NH+]1CCCC1	ZINC001091024548	948518356	/nfs/dbraw/zinc/51/83/56/948518356.db2.gz	QOOUTTHHPZFMHB-JFIYKMOQSA-N	1	0	371.485	1.713	20	30		FDEDRO
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000844953478	948568323	/nfs/dbraw/zinc/56/83/23/948568323.db2.gz	KUEGUVVVCRZGPY-KSZLIROESA-N	1	0	358.442	1.096	20	30		FDEDRO
N#Cc1cccnc1N1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1	ZINC001091045871	948605567	/nfs/dbraw/zinc/60/55/67/948605567.db2.gz	YNLBVYKSQMPECE-ZWKOTPCHSA-N	1	0	369.469	1.245	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2CN(c3ncccc3C#N)C[C@@H]21	ZINC001091047611	948637545	/nfs/dbraw/zinc/63/75/45/948637545.db2.gz	HOBZGSYXPLPYMC-DLBZAZTESA-N	1	0	357.458	1.101	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC#Cc1ccccc1	ZINC000845132474	948718511	/nfs/dbraw/zinc/71/85/11/948718511.db2.gz	AWPJEJGNGJTBLH-QGZVFWFLSA-N	1	0	359.470	1.999	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC([NH2+]C3CCOCC3)CC2)cc1F	ZINC001196173001	971519722	/nfs/dbraw/zinc/51/97/22/971519722.db2.gz	GPFPWIAGPBUYQR-UHFFFAOYSA-N	1	0	367.446	1.619	20	30		FDEDRO
C[N@H+](CC(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O)CC(C)(C)C	ZINC001196199133	971532710	/nfs/dbraw/zinc/53/27/10/971532710.db2.gz	CGNKQIBHWOCQKP-RTBURBONSA-N	1	0	357.498	1.177	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(CC#N)c1	ZINC000845343492	949041063	/nfs/dbraw/zinc/04/10/63/949041063.db2.gz	PKRGQPHMJXWTBB-CYBMUJFWSA-N	1	0	350.423	1.190	20	30		FDEDRO
C[N@H+](CC(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O)CC(C)(C)C	ZINC001196200509	971535855	/nfs/dbraw/zinc/53/58/55/971535855.db2.gz	WGDSAMGHQXGBKY-QZTJIDSGSA-N	1	0	358.486	1.197	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]3CCCC3)[C@@H](O)C2)n1	ZINC001091111387	949292394	/nfs/dbraw/zinc/29/23/94/949292394.db2.gz	YTHCACGGFMDYPG-FGTMMUONSA-N	1	0	371.485	1.048	20	30		FDEDRO
CC(C)(C)C#CC(=O)NCCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F	ZINC001573793714	949300637	/nfs/dbraw/zinc/30/06/37/949300637.db2.gz	WPBLMEWMXKKYKO-UHFFFAOYSA-N	1	0	358.421	1.651	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc1cccnc1C#N	ZINC000845574363	949541677	/nfs/dbraw/zinc/54/16/77/949541677.db2.gz	AVYXFTIOAKXMOL-CQSZACIVSA-N	1	0	362.430	1.841	20	30		FDEDRO
CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C#CC1CC1	ZINC001573811716	949604432	/nfs/dbraw/zinc/60/44/32/949604432.db2.gz	NCCJDZMSMBJLSI-HNNXBMFYSA-N	1	0	372.498	1.962	20	30		FDEDRO
C#Cc1ccc(C[N@H+]2CCC[C@]3(C2)COCCN(CC(=O)NC)C3)cc1	ZINC001144569700	949947980	/nfs/dbraw/zinc/94/79/80/949947980.db2.gz	XKEATUBQKRGUIT-OAQYLSRUSA-N	1	0	355.482	1.328	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]2O)CCCCC1	ZINC001091164912	949961326	/nfs/dbraw/zinc/96/13/26/949961326.db2.gz	IMHJLTLHSPVDDO-MSOLQXFVSA-N	1	0	371.485	1.131	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCC[N@@H+]1CCC[C@H]1C	ZINC000845917391	950086127	/nfs/dbraw/zinc/08/61/27/950086127.db2.gz	OZZKEDHLWGSWOR-GFCCVEGCSA-N	1	0	351.428	1.107	20	30		FDEDRO
C=CCOC[C@H](NC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1)C(=O)OC	ZINC000857199079	971646455	/nfs/dbraw/zinc/64/64/55/971646455.db2.gz	AIDUYQBBKHTBGE-ROUUACIJSA-N	1	0	360.454	1.970	20	30		FDEDRO
C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1	ZINC001574747821	950417843	/nfs/dbraw/zinc/41/78/43/950417843.db2.gz	YGYUQLPEISWFFE-SNVBAGLBSA-N	1	0	370.442	1.378	20	30		FDEDRO
C[C@H](CN(C)C(=O)c1ccc(C#N)[nH]1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1	ZINC001574752695	950496020	/nfs/dbraw/zinc/49/60/20/950496020.db2.gz	FFNWQMQDHIZMTI-GFCCVEGCSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[C@H](CNC(=O)c1cc(C#N)c[nH]1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1	ZINC001574995001	950497533	/nfs/dbraw/zinc/49/75/33/950497533.db2.gz	BXEMAGNSRNXAOL-GFCCVEGCSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@@H]2COC[C@]2(COCC(=O)N(C)C)C1	ZINC001171213399	950551875	/nfs/dbraw/zinc/55/18/75/950551875.db2.gz	ZXJGXNHLODKVPN-SCWSEQNSSA-N	1	0	371.481	1.542	20	30		FDEDRO
CN(CCC[N@H+](C)Cc1ccncc1)C(=O)[C@H](O)c1ccc(C#N)cc1	ZINC000846170930	950601325	/nfs/dbraw/zinc/60/13/25/950601325.db2.gz	DEIOOYDKGPBFLC-LJQANCHMSA-N	1	0	352.438	1.967	20	30		FDEDRO
C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@H]2[C@@H]1CC(=O)N2CC(=O)N(C)C	ZINC001171218328	950678258	/nfs/dbraw/zinc/67/82/58/950678258.db2.gz	UPFLYSLYYDLZMN-JLSDUUJJSA-N	1	0	354.454	1.253	20	30		FDEDRO
C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C#CC1CC1	ZINC001574520568	950740397	/nfs/dbraw/zinc/74/03/97/950740397.db2.gz	UTLGKMXWFZNDHM-CHWSQXEVSA-N	1	0	370.432	1.792	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCCc2ccccc2N2CCOCC2)CC1	ZINC000846237965	950768920	/nfs/dbraw/zinc/76/89/20/950768920.db2.gz	JCJVVJHZQVUHCP-UHFFFAOYSA-N	1	0	355.482	1.527	20	30		FDEDRO
C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)Cc1ccc(C#N)cc1	ZINC001575012554	950889835	/nfs/dbraw/zinc/88/98/35/950889835.db2.gz	ZPTCRFMTVJKMIO-GFCCVEGCSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1ccc(C#N)s1	ZINC001575020320	951057148	/nfs/dbraw/zinc/05/71/48/951057148.db2.gz	YTAGIXKEMPUAJF-SECBINFHSA-N	1	0	356.415	1.036	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C12CCC2	ZINC001571003897	951129365	/nfs/dbraw/zinc/12/93/65/951129365.db2.gz	DNXNYDWMNDSHTH-OLZOCXBDSA-N	1	0	361.837	1.578	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(C#N)n1	ZINC001091281032	951303386	/nfs/dbraw/zinc/30/33/86/951303386.db2.gz	XRLFAISZGOMSRV-RRFJBIMHSA-N	1	0	362.453	1.289	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CNc2cnc(-c3nn[nH]n3)c(C#N)n2)cc1	ZINC001571017760	951338733	/nfs/dbraw/zinc/33/87/33/951338733.db2.gz	XJSNBPQQBZBQAL-UHFFFAOYSA-N	1	0	365.401	1.081	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(C#N)n1	ZINC001091299945	951351274	/nfs/dbraw/zinc/35/12/74/951351274.db2.gz	PCEOUJMYQIAIDB-BZUAXINKSA-N	1	0	356.474	1.484	20	30		FDEDRO
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)NCC1([NH+](C)C)CCCC1	ZINC000846725657	951490647	/nfs/dbraw/zinc/49/06/47/951490647.db2.gz	ZFHQBQLOJCNBBG-KRWDZBQOSA-N	1	0	372.469	1.041	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1)C(C)(C)C[NH+](C)C	ZINC000846731855	951507365	/nfs/dbraw/zinc/50/73/65/951507365.db2.gz	CRTHOEIVNRZNSP-PBHICJAKSA-N	1	0	374.485	1.143	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N(C)CC[NH+]2CCCCC2)cc1C#N	ZINC000846739177	951544934	/nfs/dbraw/zinc/54/49/34/951544934.db2.gz	PJOUOFHXEKRRLE-UHFFFAOYSA-N	1	0	358.442	1.127	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@]34C[C@H]3COC4)c2)C1	ZINC001091399768	951569956	/nfs/dbraw/zinc/56/99/56/951569956.db2.gz	CNIJQLDMSSXNMK-CVAIRZPRSA-N	1	0	355.438	1.211	20	30		FDEDRO
C[C@@H](CNC(=O)C#CC(C)(C)C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001575080871	951718638	/nfs/dbraw/zinc/71/86/38/951718638.db2.gz	ZXAOULJYGMEHEE-CYBMUJFWSA-N	1	0	372.448	1.897	20	30		FDEDRO
C[C@]12CN(C(=O)C3=COCCO3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001091456328	951814792	/nfs/dbraw/zinc/81/47/92/951814792.db2.gz	CALDIMYIJAQPOC-XLIONFOSSA-N	1	0	353.422	1.727	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NC2CC(C[NH2+]Cc3ccc(C#N)s3)C2)O1	ZINC000961991849	1013112017	/nfs/dbraw/zinc/11/20/17/1013112017.db2.gz	UVFXUYVHMGDWBN-QROZZAMVSA-N	1	0	362.499	1.323	20	30		FDEDRO
C[C@]12CN(C(=O)CCn3cncn3)C[C@H]1C[N@H+](Cc1ccc(C#N)s1)C2	ZINC001091491207	951897974	/nfs/dbraw/zinc/89/79/74/951897974.db2.gz	HXQMYMVCCUEBHK-KDOFPFPSSA-N	1	0	370.482	1.582	20	30		FDEDRO
C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1c[nH]c(C#N)c1	ZINC001575107676	951921042	/nfs/dbraw/zinc/92/10/42/951921042.db2.gz	HPBCMLAAWQQZQU-GFCCVEGCSA-N	1	0	364.413	1.317	20	30		FDEDRO
C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC([N@@H+](C)[C@H]2CCOC2)C1	ZINC001146222868	952001555	/nfs/dbraw/zinc/00/15/55/952001555.db2.gz	LLFDPJHLXZSENH-BIENJYKASA-N	1	0	365.474	1.387	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cnn(CC)c4)C[C@]3(C)C2)C1=O	ZINC001091549671	952012300	/nfs/dbraw/zinc/01/23/00/952012300.db2.gz	HVLCUKZJJCVRAC-UWVAXJGDSA-N	1	0	371.485	1.084	20	30		FDEDRO
CC(C)[C@@H](O)C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@@]2(C)C1	ZINC001091642801	952462049	/nfs/dbraw/zinc/46/20/49/952462049.db2.gz	CQVMRXZKTBVYCW-POAQFYNOSA-N	1	0	359.445	1.995	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CN3C(=O)CC(C)(C)C3=O)C[C@]2(C)C1	ZINC001091672759	952596297	/nfs/dbraw/zinc/59/62/97/952596297.db2.gz	TTYMYSZZFDUQHG-QRWLVFNGSA-N	1	0	361.486	1.518	20	30		FDEDRO
C[C@]12CN(C(=O)[C@]34C[C@H]3COC4)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001091688073	952658638	/nfs/dbraw/zinc/65/86/38/952658638.db2.gz	QOZVVUWSYZJJQQ-YHELAOLJSA-N	1	0	351.450	1.875	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CN(CCS(C)(=O)=O)C[C@@]2(C)C1	ZINC001091701772	952668940	/nfs/dbraw/zinc/66/89/40/952668940.db2.gz	HNFLXOZPPWNFMX-CJNGLKHVSA-N	1	0	362.923	1.590	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3cccnc3)C2)C1	ZINC001148315197	952706070	/nfs/dbraw/zinc/70/60/70/952706070.db2.gz	FMRMCQFTDNSJKE-BPQIPLTHSA-N	1	0	368.481	1.410	20	30		FDEDRO
N#Cc1ccc(Cl)cc1S(=O)(=O)N1CCO[C@H](C[NH+]2CCCC2)C1	ZINC001196676521	971862030	/nfs/dbraw/zinc/86/20/30/971862030.db2.gz	RYAIOFMZBYDRQY-OAHLLOKOSA-N	1	0	369.874	1.697	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@@]2(C)C1	ZINC001091736813	952763792	/nfs/dbraw/zinc/76/37/92/952763792.db2.gz	DKOLMFYFFGDCAN-YRNRMSPPSA-N	1	0	358.486	1.545	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@]2(C)C1	ZINC001091739301	952768756	/nfs/dbraw/zinc/76/87/56/952768756.db2.gz	PISSSDNJGGELCM-UZLBHIALSA-N	1	0	356.470	1.300	20	30		FDEDRO
CC(C)(C(N)=O)C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@]2(C)C1	ZINC001091757811	952808390	/nfs/dbraw/zinc/80/83/90/952808390.db2.gz	ZGYOHRNXGKTPNT-XIKOKIGWSA-N	1	0	360.483	1.412	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cccc3sccc32)C1	ZINC001196701283	971868793	/nfs/dbraw/zinc/86/87/93/971868793.db2.gz	UIIIKNBQUWQOLA-IAGOWNOFSA-N	1	0	360.479	1.808	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cnn(C)c2OC)C1	ZINC001086864009	952889743	/nfs/dbraw/zinc/88/97/43/952889743.db2.gz	YHGDYWWUAWCSJW-NWDGAFQWSA-N	1	0	371.279	1.825	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)CC1	ZINC001086943001	952945570	/nfs/dbraw/zinc/94/55/70/952945570.db2.gz	HOLPDBNLYYCJJG-IXDOHACOSA-N	1	0	363.502	1.689	20	30		FDEDRO
CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1	ZINC001086958876	952955323	/nfs/dbraw/zinc/95/53/23/952955323.db2.gz	GGFUCLHOHGRVKA-RBUKOAKNSA-N	1	0	353.426	1.427	20	30		FDEDRO
COCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccc(C#N)s2)C1	ZINC001086959569	952956028	/nfs/dbraw/zinc/95/60/28/952956028.db2.gz	JYBRABJREKZVSO-JKSUJKDBSA-N	1	0	359.455	1.084	20	30		FDEDRO
COc1cccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2c2cnn(C)c2)c1	ZINC001086971620	952974889	/nfs/dbraw/zinc/97/48/89/952974889.db2.gz	WRARMCNFOYZWQU-MDASCCDHSA-N	1	0	367.453	1.673	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2[nH]cnc2C(C)(C)C)C[C@H]1c1cnn(C)c1	ZINC001086979659	952993502	/nfs/dbraw/zinc/99/35/02/952993502.db2.gz	LMSVTRFWECZBLV-LSDHHAIUSA-N	1	0	354.458	1.272	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2cn(C)nc2C)C[C@H]1c1cnn(C)c1	ZINC001086982428	952995183	/nfs/dbraw/zinc/99/51/83/952995183.db2.gz	JEGGHECLGYOPMC-ZWKOTPCHSA-N	1	0	356.474	1.165	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2nc(C)sc2C)C[C@H]1c1cnn(C)c1	ZINC001086984394	952999041	/nfs/dbraw/zinc/99/90/41/952999041.db2.gz	NITGQMGKEZHDSB-DOTOQJQBSA-N	1	0	359.499	1.806	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(F)ccc2CC)C[C@H]1c1cnn(C)c1	ZINC001086986168	953005375	/nfs/dbraw/zinc/00/53/75/953005375.db2.gz	ZYUODSJACBNMAX-RBUKOAKNSA-N	1	0	354.429	1.953	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc(COC)c2)C[C@H]1c1cnn(C)c1	ZINC001086986234	953005418	/nfs/dbraw/zinc/00/54/18/953005418.db2.gz	DOAGMIHSJKDNHT-RBUKOAKNSA-N	1	0	352.438	1.398	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2ccc(C)cc2)C[C@H]1c1cnn(C)c1	ZINC001086986786	953008083	/nfs/dbraw/zinc/00/80/83/953008083.db2.gz	JPTQEZZLILBCGZ-VQTJNVASSA-N	1	0	350.466	1.879	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C2([C@@H]3CCCCO3)CCC2)C[C@H]1c1cnn(C)c1	ZINC001086987261	953009186	/nfs/dbraw/zinc/00/91/86/953009186.db2.gz	JACWWXYTTNROCC-OTWHNJEPSA-N	1	0	370.497	1.677	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cccc3c2CCOC3)C[C@H]1c1cnn(C)c1	ZINC001086987359	953009719	/nfs/dbraw/zinc/00/97/19/953009719.db2.gz	NUKUKBKEOGMNJP-VQTJNVASSA-N	1	0	364.449	1.324	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cc3ccccc3o2)C[C@H]1c1cnn(C)c1	ZINC001086990327	953017267	/nfs/dbraw/zinc/01/72/67/953017267.db2.gz	WVOUHVCJIUSCIU-RBUKOAKNSA-N	1	0	362.433	1.926	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cc(C)ncn2)C1	ZINC001086990775	953018514	/nfs/dbraw/zinc/01/85/14/953018514.db2.gz	URCBRBRTPMGLTI-ZWKOTPCHSA-N	1	0	368.485	1.815	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ncoc2[C@H]2CCCO2)C[C@H]1c1cnn(C)c1	ZINC001086990608	953018671	/nfs/dbraw/zinc/01/86/71/953018671.db2.gz	MCYXMMNJAQCRTM-ARFHVFGLSA-N	1	0	371.441	1.643	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)(C)C)nn2C)C[C@H]1c1cnn(C)c1	ZINC001086994396	953029993	/nfs/dbraw/zinc/02/99/93/953029993.db2.gz	YFADWOUQXRSHOU-JKSUJKDBSA-N	1	0	368.485	1.282	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccc3c2COCC3)C[C@H]1c1cnn(C)c1	ZINC001086981838	953033897	/nfs/dbraw/zinc/03/38/97/953033897.db2.gz	GIPNINUIHBRBGB-AZUAARDMSA-N	1	0	366.465	1.877	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1c1cnn(C)c1	ZINC001086997221	953039877	/nfs/dbraw/zinc/03/98/77/953039877.db2.gz	SLRVGFUJAKEFGS-RRQGHBQHSA-N	1	0	365.909	1.398	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2ccncc2Cl)C[C@H]1c1cnn(C)c1	ZINC001086997266	953040248	/nfs/dbraw/zinc/04/02/48/953040248.db2.gz	VCVHWYMJHJJIBI-DOTOQJQBSA-N	1	0	359.861	1.781	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2ccccc2COC)C[C@H]1c1cnn(C)c1	ZINC001087001402	953054824	/nfs/dbraw/zinc/05/48/24/953054824.db2.gz	SJBXERJQPUPXLA-VQTJNVASSA-N	1	0	368.481	1.879	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn(CCC)nc2C)C[C@H]1c1cnn(C)c1	ZINC001087003868	953061007	/nfs/dbraw/zinc/06/10/07/953061007.db2.gz	UEUOSRIYQGGXNE-ZWKOTPCHSA-N	1	0	356.474	1.719	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2coc(COC)n2)C[C@H]1c1cnn(C)c1	ZINC001087004424	953062341	/nfs/dbraw/zinc/06/23/41/953062341.db2.gz	XTLFLMOGAYZWDP-LSDHHAIUSA-N	1	0	359.430	1.328	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccc3nccn3c2)C[C@H]1c1cnn(C)c1	ZINC001087005283	953064194	/nfs/dbraw/zinc/06/41/94/953064194.db2.gz	VMKJLEYSRNQQBL-ZWKOTPCHSA-N	1	0	364.453	1.842	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc3c(C)cccn3c2)C[C@H]1c1cnn(C)c1	ZINC001087005478	953064927	/nfs/dbraw/zinc/06/49/27/953064927.db2.gz	FKKFMTAMENIVEM-RBUKOAKNSA-N	1	0	361.449	1.812	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3n[nH]cc3C2)C[C@H]1c1cnn(C)c1	ZINC001087005803	953065557	/nfs/dbraw/zinc/06/55/57/953065557.db2.gz	VJOMRDJIGXEQNY-UCLAIMLFSA-N	1	0	368.485	1.408	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc3c(s2)CCC3)C[C@H]1c1cnn(C)c1	ZINC001087008012	953094523	/nfs/dbraw/zinc/09/45/23/953094523.db2.gz	IQKVRPXGPROMMS-JKSUJKDBSA-N	1	0	354.479	1.801	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cnn(C)c1	ZINC001087009369	953097910	/nfs/dbraw/zinc/09/79/10/953097910.db2.gz	CBIFWSNFWCKUGX-JKSUJKDBSA-N	1	0	351.882	1.152	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(-c3ccoc3)n[nH]2)C[C@H]1c1cnn(C)c1	ZINC001087009430	953097993	/nfs/dbraw/zinc/09/79/93/953097993.db2.gz	FZNWGAXAEMLUFD-MAUKXSAKSA-N	1	0	366.425	1.787	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CN(C)c2ccccc2)C[C@H]1c1cnn(C)c1	ZINC001087011711	953104412	/nfs/dbraw/zinc/10/44/12/953104412.db2.gz	LGKOKJJBBKFLPE-RBUKOAKNSA-N	1	0	353.470	1.627	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC23CCOCC3)C[C@H]1c1cnn(C)c1	ZINC001087012972	953108398	/nfs/dbraw/zinc/10/83/98/953108398.db2.gz	YGQDOEVPJIMQQY-OKZBNKHCSA-N	1	0	358.486	1.697	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H]2CCCOC2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087032972	953132858	/nfs/dbraw/zinc/13/28/58/953132858.db2.gz	FCTNGGIXDOHPBO-VAMGGRTRSA-N	1	0	371.481	1.938	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087033298	953134451	/nfs/dbraw/zinc/13/44/51/953134451.db2.gz	NUPUDOZLVJOENX-GUDVDZBRSA-N	1	0	357.454	1.548	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1OC	ZINC001087035941	953146112	/nfs/dbraw/zinc/14/61/12/953146112.db2.gz	RWNGTWSADJNWHU-LSBZLQRGSA-N	1	0	370.453	1.680	20	30		FDEDRO
CCCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2OCC)s1	ZINC001087035797	953146438	/nfs/dbraw/zinc/14/64/38/953146438.db2.gz	MZGFLIGJCVUHOI-BFHYXJOUSA-N	1	0	365.503	1.603	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1csc(Cl)n1	ZINC001087036130	953146743	/nfs/dbraw/zinc/14/67/43/953146743.db2.gz	ZJAAVGCEVIDSKD-DMDPSCGWSA-N	1	0	356.879	1.909	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C[C@@H]2CCOC2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087037324	953150069	/nfs/dbraw/zinc/15/00/69/953150069.db2.gz	GFVXAIWPYWKEAA-XUVXKRRUSA-N	1	0	371.481	1.938	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1nccc(C)n1	ZINC001087045361	953169849	/nfs/dbraw/zinc/16/98/49/953169849.db2.gz	FWKGGWHRTQWANP-RHSMWYFYSA-N	1	0	368.441	1.252	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](OC)C2CC2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087050312	953177251	/nfs/dbraw/zinc/17/72/51/953177251.db2.gz	VQKPDZKLIXQZQL-VAMGGRTRSA-N	1	0	371.481	1.936	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1ccnc(N(C)C)c1	ZINC001087053034	953184723	/nfs/dbraw/zinc/18/47/23/953184723.db2.gz	WLEREHSWPKMKJG-RTBURBONSA-N	1	0	370.497	1.514	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CC3(C)CC3)C[C@H]2OCC)C1=O	ZINC001087067087	953217389	/nfs/dbraw/zinc/21/73/89/953217389.db2.gz	LETZAWHBDBYKLM-IXDOHACOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3cncs3)[C@H](OCC)C2)c1	ZINC001087082553	953241029	/nfs/dbraw/zinc/24/10/29/953241029.db2.gz	QGOHJNVZTMQLOR-SJLPKXTDSA-N	1	0	370.478	1.786	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3cnns3)[C@H](OCC)C2)c1	ZINC001087082754	953241756	/nfs/dbraw/zinc/24/17/56/953241756.db2.gz	XYTIDQXGEQFONW-NVXWUHKLSA-N	1	0	371.466	1.181	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2nc(C)c[nH]2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087089933	953253653	/nfs/dbraw/zinc/25/36/53/953253653.db2.gz	MAYRHYHQIUITQD-QZTJIDSGSA-N	1	0	367.453	1.857	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@]2(C)CCOC2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087093784	953259893	/nfs/dbraw/zinc/25/98/93/953259893.db2.gz	BSEKWNTVQJVRDP-SBHAEUEKSA-N	1	0	371.481	1.938	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]Cc2cnon2)[C@H](OCC)C1	ZINC001087098611	953268184	/nfs/dbraw/zinc/26/81/84/953268184.db2.gz	CXDYTBIUVXGUNY-IEBWSBKVSA-N	1	0	368.437	1.247	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cnoc3C)[C@H](OCC)C2)nc1	ZINC001087097270	953284479	/nfs/dbraw/zinc/28/44/79/953284479.db2.gz	GDESMLSOYZLJRC-IEBWSBKVSA-N	1	0	368.437	1.626	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ccns3)[C@H](OCC)C2)nc1	ZINC001087097562	953285139	/nfs/dbraw/zinc/28/51/39/953285139.db2.gz	XIVHKFDSGSIUCX-CRAIPNDOSA-N	1	0	370.478	1.786	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3CCCC(=O)N3)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001091766029	953288567	/nfs/dbraw/zinc/28/85/67/953288567.db2.gz	GTENSIDCUUMPQT-KNKQGSTJSA-N	1	0	365.477	1.487	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)COCC[NH+](C)C)CCN1c1ncc(C#N)cc1F	ZINC001091793137	953315956	/nfs/dbraw/zinc/31/59/56/953315956.db2.gz	KOZOKXGUTRNYQN-JKSUJKDBSA-N	1	0	363.437	1.144	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@H]2C[N@@H+]([C@@H](C)C(=O)NC)C[C@@]2(C)C1	ZINC001091793996	953318129	/nfs/dbraw/zinc/31/81/29/953318129.db2.gz	VZKIYGWZWPEPNG-MRUHUIDDSA-N	1	0	371.481	1.780	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccnc(N4CCCC4)n3)C[C@]2(C)C1	ZINC001091798189	953325478	/nfs/dbraw/zinc/32/54/78/953325478.db2.gz	NGCJSCRAEOBOMX-UZLBHIALSA-N	1	0	353.470	1.494	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)CCN1c1cncc(C#N)n1	ZINC001091806585	953336845	/nfs/dbraw/zinc/33/68/45/953336845.db2.gz	UXXKXKNWKVLGRT-OWCLPIDISA-N	1	0	362.453	1.502	20	30		FDEDRO
C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)c3nc(C)c(C)[nH]c3=O)C[C@]2(C)C1	ZINC001091777545	953350675	/nfs/dbraw/zinc/35/06/75/953350675.db2.gz	YGGBEJDOXRGBAU-DYVFJYSZSA-N	1	0	350.850	1.533	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CCS(=O)(=O)C3)C[C@]2(C)C1	ZINC001091831015	953370585	/nfs/dbraw/zinc/37/05/85/953370585.db2.gz	DNERHIWFKWWYGX-JZXOWHBKSA-N	1	0	354.516	1.558	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc4c(c3)N(C)C(=O)C4)C[C@]2(C)C1	ZINC001091825429	953496098	/nfs/dbraw/zinc/49/60/98/953496098.db2.gz	UNMRTQNOEVNAII-UTKZUKDTSA-N	1	0	351.450	1.623	20	30		FDEDRO
N#Cc1nccnc1N1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1	ZINC001091853955	953540493	/nfs/dbraw/zinc/54/04/93/953540493.db2.gz	SLWIZPBFELJNTH-SJORKVTESA-N	1	0	368.485	1.509	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(Cn4ccnn4)o3)C[C@]2(C)C1	ZINC001091875503	953644468	/nfs/dbraw/zinc/64/44/68/953644468.db2.gz	IRIVZENZDQGDDC-BEFAXECRSA-N	1	0	355.442	1.889	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cocc4C)C[C@]3(C)C2)C1=O	ZINC001091926000	953717060	/nfs/dbraw/zinc/71/70/60/953717060.db2.gz	WPZYIGFKUNBYTF-MDYRTPRTSA-N	1	0	357.454	1.769	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN(CC(F)F)C3)C[C@]2(C)C1	ZINC001091957729	953853592	/nfs/dbraw/zinc/85/35/92/953853592.db2.gz	TYEISJUSSVTVLD-FCEWJHQRSA-N	1	0	353.457	1.767	20	30		FDEDRO
C[C@]12CN(C(=O)[C@]3(C)CCC(=O)N3)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001091986851	953879875	/nfs/dbraw/zinc/87/98/75/953879875.db2.gz	YFWVBBUPBQAIJC-QMMLZNLJSA-N	1	0	366.465	1.507	20	30		FDEDRO
C[C@]12CN(C(=O)[C@]3(C)CCNC3=O)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001092008441	953951461	/nfs/dbraw/zinc/95/14/61/953951461.db2.gz	MDIFJCJDTSZMRV-JRGCBEDISA-N	1	0	366.465	1.365	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@]3(C)CCNC3=O)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001092008442	953951594	/nfs/dbraw/zinc/95/15/94/953951594.db2.gz	MDIFJCJDTSZMRV-QMMLZNLJSA-N	1	0	366.465	1.365	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)Cn3c4ccccc4[nH]c3=O)C[C@]2(C)C1	ZINC001092045895	954028124	/nfs/dbraw/zinc/02/81/24/954028124.db2.gz	UXGPUPLAVNDMIR-QRWLVFNGSA-N	1	0	352.438	1.546	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)[C@H]2C)n1	ZINC001092024474	954105150	/nfs/dbraw/zinc/10/51/50/954105150.db2.gz	QZZOKSKKMQCJDD-HIFRSBDPSA-N	1	0	356.474	1.478	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)C3(S(C)(=O)=O)CCCC3)C[C@]2(C)C1	ZINC001092097430	954288704	/nfs/dbraw/zinc/28/87/04/954288704.db2.gz	RMQOKCPNNUPOJZ-WBVHZDCISA-N	1	0	352.500	1.147	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4c(C)n[nH]c4C)C[C@]3(C)C2)C1=O	ZINC001092104515	954327434	/nfs/dbraw/zinc/32/74/34/954327434.db2.gz	MCCLFFKAQNLINX-QINHECLXSA-N	1	0	371.485	1.207	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4nocc4C)C[C@]3(C)C2)C1=O	ZINC001092177999	954466743	/nfs/dbraw/zinc/46/67/43/954466743.db2.gz	QMPAJRZDUMMJTM-CLCXKQKWSA-N	1	0	358.442	1.164	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+]([C@@H](C)C(=O)NC4CC4)C[C@@]3(C)C2)cn1	ZINC001092211494	954619279	/nfs/dbraw/zinc/61/92/79/954619279.db2.gz	HENFYMLBAMRBDO-PXARDIRTSA-N	1	0	366.465	1.124	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(Cc4nc(C)no4)C[C@@]3(C)C2)CC1	ZINC001092300027	954747993	/nfs/dbraw/zinc/74/79/93/954747993.db2.gz	PMMUSSSWUKHPIV-XLIONFOSSA-N	1	0	371.485	1.004	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CN(c3ncccc3C#N)C[C@@]2(C)C1	ZINC001092300697	954750028	/nfs/dbraw/zinc/75/00/28/954750028.db2.gz	CIXRQIWTJDSTKT-UZLBHIALSA-N	1	0	355.486	1.968	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CN(c3cnc(C#N)cn3)C[C@@]2(C)C1	ZINC001092300711	954750402	/nfs/dbraw/zinc/75/04/02/954750402.db2.gz	CYNOCJXJFGSOBC-KUHUBIRLSA-N	1	0	356.474	1.363	20	30		FDEDRO
CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CN(c3nc(C)cc(C#N)n3)C[C@@]2(C)C1	ZINC001092301147	954751333	/nfs/dbraw/zinc/75/13/33/954751333.db2.gz	ULHIXDZFMKDKND-MGPUTAFESA-N	1	0	370.501	1.672	20	30		FDEDRO
C[N@H+](CC(=O)N1C[C@H]2CN(c3ccc(C#N)nn3)C[C@@]2(C)C1)CC(C)(C)C	ZINC001092306952	954774537	/nfs/dbraw/zinc/77/45/37/954774537.db2.gz	MIVHOWPWCSZUBI-QRWLVFNGSA-N	1	0	370.501	1.611	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)CCC3CCN(C(C)=O)CC3)C[C@]2(C)C1	ZINC001092292651	954896726	/nfs/dbraw/zinc/89/67/26/954896726.db2.gz	SZQBPXKKOOJRFR-CTNGQTDRSA-N	1	0	359.514	1.829	20	30		FDEDRO
C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)c1nccn12	ZINC001092398120	955007374	/nfs/dbraw/zinc/00/73/74/955007374.db2.gz	HHPLDVMJPBXATK-OWCLPIDISA-N	1	0	371.485	1.323	20	30		FDEDRO
CC(C)[C@H](C(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C)[NH+]1CCCC1	ZINC001092372193	955045189	/nfs/dbraw/zinc/04/51/89/955045189.db2.gz	ACRTVXJRPZQMNP-GPMSIDNRSA-N	1	0	370.501	1.657	20	30		FDEDRO
Cc1cc(N2C[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@H](C)C2)c(C#N)cn1	ZINC001092434806	955089079	/nfs/dbraw/zinc/08/90/79/955089079.db2.gz	NARWGLRRQVLMLO-RHSMWYFYSA-N	1	0	355.486	1.792	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@H](C)C2)n1	ZINC001092434998	955089096	/nfs/dbraw/zinc/08/90/96/955089096.db2.gz	WELKKWKNFROTMB-HUUCEWRRSA-N	1	0	370.501	1.441	20	30		FDEDRO
CC[C@@H](C(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C)[NH+](CC)CC	ZINC001092442818	955109815	/nfs/dbraw/zinc/10/98/15/955109815.db2.gz	ZCYJGKRJOWQFFB-OAGGEKHMSA-N	1	0	358.490	1.657	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1CN(c2ccncc2C#N)C[C@H]1C	ZINC001092411944	955140379	/nfs/dbraw/zinc/14/03/79/955140379.db2.gz	VWKCKPMVUJHEJT-DJIMGWMZSA-N	1	0	361.465	1.822	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3ccc(C)n3C)[C@H](C)C2)C1=O	ZINC001092464719	955193254	/nfs/dbraw/zinc/19/32/54/955193254.db2.gz	JHFFMAGFYLKZKE-QGPMSJSTSA-N	1	0	358.486	1.418	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CNC(=O)c2cn[nH]c2)[C@H](C)C1	ZINC001092478679	955227733	/nfs/dbraw/zinc/22/77/33/955227733.db2.gz	GBZRABYZCACUKX-CXAGYDPISA-N	1	0	353.426	1.788	20	30		FDEDRO
Cc1nc(N2C[C@@H](C)[C@H](CCNC(=O)[C@H]3CCC[N@@H+]3C)C2)ccc1C#N	ZINC001092484124	955238931	/nfs/dbraw/zinc/23/89/31/955238931.db2.gz	CXJTUBVANVSCBF-ZTFGCOKTSA-N	1	0	355.486	1.935	20	30		FDEDRO
COc1cc(C[N@H+]2C[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)sn1	ZINC001092553289	955415863	/nfs/dbraw/zinc/41/58/63/955415863.db2.gz	OBRRMJHZLIPGCL-DGCLKSJQSA-N	1	0	359.455	1.849	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cc3n(n2)CCCC3)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC001092553539	955416362	/nfs/dbraw/zinc/41/63/62/955416362.db2.gz	IYJQWBWHOOUWDF-GDBMZVCRSA-N	1	0	366.469	1.917	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)[C@H](C)C1	ZINC001092606898	955650686	/nfs/dbraw/zinc/65/06/86/955650686.db2.gz	CJWRUDFAGDOUFO-BZUAXINKSA-N	1	0	359.474	1.413	20	30		FDEDRO
CCN1C[C@@H](C(=O)NC[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2C)CC1=O	ZINC001092655478	955910640	/nfs/dbraw/zinc/91/06/40/955910640.db2.gz	QARDUSPWDNUPAO-YZGWKJHDSA-N	1	0	367.493	1.591	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)c1cc2n(n1)CCO2	ZINC001092682681	956017614	/nfs/dbraw/zinc/01/76/14/956017614.db2.gz	MGROVDHUQVZIHG-CHWSQXEVSA-N	1	0	371.466	1.707	20	30		FDEDRO
CC(C)[C@H](C(=O)NC[C@]12CCC[C@H]1N(c1cncc(C#N)n1)CC2)[NH+](C)C	ZINC001092701105	956093178	/nfs/dbraw/zinc/09/31/78/956093178.db2.gz	TWODNKYXSCBOCF-YVWKXTFCSA-N	1	0	370.501	1.800	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)[C@H](C)C1	ZINC001092691549	956206069	/nfs/dbraw/zinc/20/60/69/956206069.db2.gz	RCYULLZWGOHSQP-BRSBDYLESA-N	1	0	358.486	1.595	20	30		FDEDRO
C=CCOc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]2C)cc1	ZINC001092740551	956237620	/nfs/dbraw/zinc/23/76/20/956237620.db2.gz	QFQDFUFRESDZJQ-QGPMSJSTSA-N	1	0	357.454	1.438	20	30		FDEDRO
C=CCOc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]2C)cc1	ZINC001092741048	956238756	/nfs/dbraw/zinc/23/87/56/956238756.db2.gz	WSGIJFQNGRVGFL-SZVBFZGTSA-N	1	0	371.481	1.828	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncccc1C#N	ZINC001092837707	956451360	/nfs/dbraw/zinc/45/13/60/956451360.db2.gz	UQQCARDQWCDMJR-BGTYHANMSA-N	1	0	369.469	1.147	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)c1cn(C)c(=O)cn1	ZINC001092841158	956466933	/nfs/dbraw/zinc/46/69/33/956466933.db2.gz	CEKNKSDCDVBFAV-SJLPKXTDSA-N	1	0	364.449	1.130	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccncc1C#N	ZINC001092837269	956581564	/nfs/dbraw/zinc/58/15/64/956581564.db2.gz	KWPOQVQOXNSDKY-NWGLXNPWSA-N	1	0	369.469	1.147	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1	ZINC001092888323	956798125	/nfs/dbraw/zinc/79/81/25/956798125.db2.gz	WQWNQWKVNDVFTM-UGUYLWEFSA-N	1	0	360.437	1.254	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1	ZINC001092927401	956933264	/nfs/dbraw/zinc/93/32/64/956933264.db2.gz	ZNRCYRTVZRQLFY-YVSFHVDLSA-N	1	0	354.458	1.449	20	30		FDEDRO
N#Cc1cnc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+]2CCCCC2)C3)cn1	ZINC001092980170	956984006	/nfs/dbraw/zinc/98/40/06/956984006.db2.gz	RBHGEVRGPLQNPN-ZACQAIPSSA-N	1	0	354.458	1.450	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cc3n(n2)CCC3)C[C@H]1C	ZINC001092981740	956987198	/nfs/dbraw/zinc/98/71/98/956987198.db2.gz	MDBXNQMSPMDNIW-RGCFKVTRSA-N	1	0	358.486	1.605	20	30		FDEDRO
CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1)[NH+](CC)CC	ZINC001093042609	957205429	/nfs/dbraw/zinc/20/54/29/957205429.db2.gz	CPUWXXVNQIOTCN-NCOADZHNSA-N	1	0	356.474	1.695	20	30		FDEDRO
C#CCOc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]2C)cc1	ZINC001093031696	957243499	/nfs/dbraw/zinc/24/34/99/957243499.db2.gz	HYRICHBCHDDXSN-SZVBFZGTSA-N	1	0	369.465	1.227	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](CCOc3ccccc3)C[C@H]2C)nn1	ZINC001093032527	957247525	/nfs/dbraw/zinc/24/75/25/957247525.db2.gz	QAWYXYOEJROKSB-IAGOWNOFSA-N	1	0	369.469	1.841	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H](CNC(=O)c3nnc[nH]3)[C@H](C)C2)cc1C#N	ZINC001093064757	957303855	/nfs/dbraw/zinc/30/38/55/957303855.db2.gz	ZJSYMHHFHKGGMY-IUODEOHRSA-N	1	0	354.414	1.183	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](CCc3cnn(CC)c3)C[C@H]2C)nc1	ZINC001093141129	957637307	/nfs/dbraw/zinc/63/73/07/957637307.db2.gz	NCYKZEAAKQOUIX-VQIMIIECSA-N	1	0	365.481	1.820	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCO[C@H]3CC3(F)F)C[C@H]2C)cn1	ZINC001093142795	957640116	/nfs/dbraw/zinc/64/01/16/957640116.db2.gz	CQWMPXWEIXFFDG-UNEWFSDZSA-N	1	0	363.408	1.785	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]2C)cn1	ZINC001093143294	957641844	/nfs/dbraw/zinc/64/18/44/957641844.db2.gz	YKWPTNRGEJQNDW-SOLBZPMBSA-N	1	0	368.481	1.277	20	30		FDEDRO
CCN1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2C)C1	ZINC001093212215	957760595	/nfs/dbraw/zinc/76/05/95/957760595.db2.gz	KRBVTWAHNKTBOH-HMXCVIKNSA-N	1	0	369.509	1.443	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(Cc3cscn3)C[C@H]2C)CC1	ZINC001093223558	957854062	/nfs/dbraw/zinc/85/40/62/957854062.db2.gz	BIKPTLWCKAZHAN-NVXWUHKLSA-N	1	0	360.527	1.672	20	30		FDEDRO
CC(C)N1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)C1=O	ZINC001093274685	957944997	/nfs/dbraw/zinc/94/49/97/957944997.db2.gz	RWWBSBBSBVRKHC-BFYDXBDKSA-N	1	0	371.485	1.583	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)C3=CCOCC3)C[C@H]2C)C1=O	ZINC001093274974	957945893	/nfs/dbraw/zinc/94/58/93/957945893.db2.gz	URNHARKASXHNDL-NXHRZFHOSA-N	1	0	361.486	1.194	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3ccc(C)nn3)C[C@H]2C)C1=O	ZINC001093279022	957950814	/nfs/dbraw/zinc/95/08/14/957950814.db2.gz	VOYAPRCITJMYED-DJIMGWMZSA-N	1	0	371.485	1.260	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3n[nH]cc3C)C[C@H]2C)C1=O	ZINC001093279384	957952228	/nfs/dbraw/zinc/95/22/28/957952228.db2.gz	ZLYHJANUTWSXNG-OAGGEKHMSA-N	1	0	359.474	1.193	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3cccnc3C)C[C@H]2C)C1=O	ZINC001093284052	957964587	/nfs/dbraw/zinc/96/45/87/957964587.db2.gz	CHHYJUOMFPKWTD-SUMDDJOVSA-N	1	0	370.497	1.865	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H]3CCCN(C)C3=O)C2)nc1	ZINC001093289349	957981614	/nfs/dbraw/zinc/98/16/14/957981614.db2.gz	QHQYPKLTOLJRNX-NXHRZFHOSA-N	1	0	368.481	1.372	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H]3CCNC3=O)C2)cc1	ZINC001093289467	957982485	/nfs/dbraw/zinc/98/24/85/957982485.db2.gz	ZOAKJQXUYNPJPM-SZVBFZGTSA-N	1	0	369.465	1.275	20	30		FDEDRO
C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC1	ZINC001093378852	958017513	/nfs/dbraw/zinc/01/75/13/958017513.db2.gz	VDIDEODRZQOSEY-FGTMMUONSA-N	1	0	359.514	1.990	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3snnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093431445	958055760	/nfs/dbraw/zinc/05/57/60/958055760.db2.gz	UMMHWIRNPVRJHN-SMKXDYDZSA-N	1	0	350.488	1.612	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc[nH]c(=O)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093438424	958070967	/nfs/dbraw/zinc/07/09/67/958070967.db2.gz	FBYRDKSHYDMNEY-CIWUYKSXSA-N	1	0	359.470	1.943	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)C#CC2CC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cncn1C)C2	ZINC001093441836	958078953	/nfs/dbraw/zinc/07/89/53/958078953.db2.gz	BDKNKMYJMAUPHN-RMVXJAJNSA-N	1	0	370.497	1.300	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)C#CC2CC2)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1nccn1C)C2	ZINC001093443954	958088106	/nfs/dbraw/zinc/08/81/06/958088106.db2.gz	WZKJUMYODREEGE-DGQTTZFYSA-N	1	0	370.497	1.300	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncc4nc[nH]c43)[C@H]2C(C)C)C[C@H]1O	ZINC001093446878	958096354	/nfs/dbraw/zinc/09/63/54/958096354.db2.gz	NPFMCSTVOBMEKF-BIJSTVTOSA-N	1	0	367.453	1.171	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3nn(C)cc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093446765	958096593	/nfs/dbraw/zinc/09/65/93/958096593.db2.gz	LTORRLLSXHQZQE-ZTRFORPCSA-N	1	0	360.502	1.884	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc4n[nH]nc43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093446922	958097731	/nfs/dbraw/zinc/09/77/31/958097731.db2.gz	NWTUYFGNIUEJCR-CIWUYKSXSA-N	1	0	367.453	1.171	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc4n(n3)CCCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093448940	958111970	/nfs/dbraw/zinc/11/19/70/958111970.db2.gz	DJYIWHIPBDRGHD-XCJLJZCSSA-N	1	0	370.497	1.432	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@H]1C(C)C	ZINC001093449525	958116602	/nfs/dbraw/zinc/11/66/02/958116602.db2.gz	PHWVYCSOOLVKES-ATNYBXOESA-N	1	0	358.910	1.724	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccn3CC=C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093450928	958128157	/nfs/dbraw/zinc/12/81/57/958128157.db2.gz	PUGXGFZJMHLJSO-VELGLUOQSA-N	1	0	355.482	1.887	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc4nccn43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093460024	958185904	/nfs/dbraw/zinc/18/59/04/958185904.db2.gz	XKGRXMVUFYFZRM-WELBPKCISA-N	1	0	366.465	1.547	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cnoc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093460788	958191044	/nfs/dbraw/zinc/19/10/44/958191044.db2.gz	XOTGEAGEFVYYEI-LMSBXDPUSA-N	1	0	367.877	1.936	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3n[nH]cc3F)[C@@H]2C(C)C)C[C@H]1O	ZINC001093464118	958198248	/nfs/dbraw/zinc/19/82/48/958198248.db2.gz	CHUACAGKWGDBKZ-SMKXDYDZSA-N	1	0	370.856	1.881	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ocnc3C3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093464655	958200214	/nfs/dbraw/zinc/20/02/14/958200214.db2.gz	GARQRAUJPVPBQO-DZJHOTPTSA-N	1	0	357.454	1.765	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc4c3OCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093465529	958203908	/nfs/dbraw/zinc/20/39/08/958203908.db2.gz	KBSXFNOVMKRSEA-RMEPHLEKSA-N	1	0	368.477	1.834	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cnc[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093466121	958208090	/nfs/dbraw/zinc/20/80/90/958208090.db2.gz	LNQGYVUSCAFMPE-LMSBXDPUSA-N	1	0	366.893	1.671	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccn4ccnc34)[C@@H]2C(C)C)C[C@H]1O	ZINC001093467199	958213401	/nfs/dbraw/zinc/21/34/01/958213401.db2.gz	ROQIMQMPZYQXMF-NEYJZJCJSA-N	1	0	366.465	1.547	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccn(C(C)C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093467499	958214137	/nfs/dbraw/zinc/21/41/37/958214137.db2.gz	UCVSYRWZHRXEER-MLYOOKFZSA-N	1	0	358.486	1.677	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnc(N(C)C)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093467514	958214152	/nfs/dbraw/zinc/21/41/52/958214152.db2.gz	UELAMHFJLYCUTH-REHHDOPLSA-N	1	0	370.497	1.361	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C4CC4)n[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093468375	958218445	/nfs/dbraw/zinc/21/84/45/958218445.db2.gz	ZKXXTPGDSVRRKY-MLYOOKFZSA-N	1	0	356.470	1.500	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COc3cccnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093469251	958220712	/nfs/dbraw/zinc/22/07/12/958220712.db2.gz	FLIGTXNIROYTQH-JYBIWHBTSA-N	1	0	357.454	1.060	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(Cl)no3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093472721	958240064	/nfs/dbraw/zinc/24/00/64/958240064.db2.gz	MKLVAHORYCNZLF-RYPCIWMOSA-N	1	0	351.834	1.541	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnon3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093474069	958245795	/nfs/dbraw/zinc/24/57/95/958245795.db2.gz	SACQHTNRYYWLNW-MEWXFMAXSA-N	1	0	354.838	1.402	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cccc(OC)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093477054	958256178	/nfs/dbraw/zinc/25/61/78/958256178.db2.gz	FXGQYYJFXSIKED-UGESXGAOSA-N	1	0	370.493	1.837	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ncccc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001093453034	958261802	/nfs/dbraw/zinc/26/18/02/958261802.db2.gz	SJACETRJNNUZKX-PLOVASNDSA-N	1	0	355.482	1.857	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncnc4[nH]ccc43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093453938	958263872	/nfs/dbraw/zinc/26/38/72/958263872.db2.gz	YGESOJOALIBBKQ-YVTWGWGSSA-N	1	0	369.469	1.675	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnc4n[nH]nc43)[C@H]2C(C)C)C[C@H]1O	ZINC001093457456	958280072	/nfs/dbraw/zinc/28/00/72/958280072.db2.gz	KBVNDOQJWICGBB-ZLHSVIROSA-N	1	0	370.457	1.119	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CCO)C3)[C@H]2C(C)C)cc1	ZINC001093458925	958287205	/nfs/dbraw/zinc/28/72/05/958287205.db2.gz	HXVYOBAQGQVYRD-XCJLJZCSSA-N	1	0	356.466	1.240	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c(C)n[nH]c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093477795	958290205	/nfs/dbraw/zinc/29/02/05/958290205.db2.gz	MVNSUGBRQAXXJM-LFGUQSLTSA-N	1	0	358.486	1.168	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)cc(=O)[nH]c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093480559	958303748	/nfs/dbraw/zinc/30/37/48/958303748.db2.gz	LWDKUGGRIJJUAR-DCTVWTRXSA-N	1	0	371.481	1.617	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001093651072	958436021	/nfs/dbraw/zinc/43/60/21/958436021.db2.gz	IIWOOAUKFZZLAU-RHSMWYFYSA-N	1	0	353.426	1.810	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2csc(-c3ncccn3)n2)[C@H](C)C1	ZINC001093673454	958517120	/nfs/dbraw/zinc/51/71/20/958517120.db2.gz	QRGNFLNVHYKDHU-MGPQQGTHSA-N	1	0	370.482	1.944	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)[C@H](C)C1	ZINC001093679718	958534386	/nfs/dbraw/zinc/53/43/86/958534386.db2.gz	YVDVOHISYFBLTR-IIDMSEBBSA-N	1	0	368.481	1.939	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(-c3ccccc3)n2C)[C@H](C)C1	ZINC001093679553	958534424	/nfs/dbraw/zinc/53/44/24/958534424.db2.gz	WTMUCWJULDAPLE-ZMSDIMECSA-N	1	0	366.469	1.826	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3oc(C)nc3C)C[C@H]2C)C1=O	ZINC001093690279	958548172	/nfs/dbraw/zinc/54/81/72/958548172.db2.gz	QPOOGGHDYNFVPU-DAXOMENPSA-N	1	0	360.458	1.376	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)cn1	ZINC001093699677	958565133	/nfs/dbraw/zinc/56/51/33/958565133.db2.gz	GDUJMPNVSAYEIJ-CZUORRHYSA-N	1	0	353.426	1.788	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1ccc(CO)cc1	ZINC001093722454	958597768	/nfs/dbraw/zinc/59/77/68/958597768.db2.gz	FIGHYDFAJPGMHK-RHSMWYFYSA-N	1	0	352.438	1.877	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2COCCN2C)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093728948	958622650	/nfs/dbraw/zinc/62/26/50/958622650.db2.gz	YDWXJIOLABZXHS-CPUCHLNUSA-N	1	0	362.499	1.134	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N3CCCC3)nn2)C1	ZINC001197699539	972370347	/nfs/dbraw/zinc/37/03/47/972370347.db2.gz	OQWCJOAJRBDSPJ-DJIMGWMZSA-N	1	0	359.474	1.206	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1C	ZINC001093742782	958750015	/nfs/dbraw/zinc/75/00/15/958750015.db2.gz	BWDGNFNMJQAQHN-RHSMWYFYSA-N	1	0	359.470	1.912	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H](C)c2nnnn2C)[C@H](C)C1	ZINC001093793916	958797097	/nfs/dbraw/zinc/79/70/97/958797097.db2.gz	DJDBNWJIZDHGPC-NTZNESFSSA-N	1	0	354.886	1.734	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]Cc2cncc(OC)n2)[C@H](C)C1	ZINC001093824661	958903223	/nfs/dbraw/zinc/90/32/23/958903223.db2.gz	CLBJPXLJSNRFJF-HZPDHXFCSA-N	1	0	369.469	1.971	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093839807	958951625	/nfs/dbraw/zinc/95/16/25/958951625.db2.gz	ZMZTWOOHSCJHMS-ZTFGCOKTSA-N	1	0	354.454	1.269	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001093849863	958975090	/nfs/dbraw/zinc/97/50/90/958975090.db2.gz	SJJSCRQCXHLQJJ-IUODEOHRSA-N	1	0	369.400	1.691	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCC(=O)NC2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093816713	959008055	/nfs/dbraw/zinc/00/80/55/959008055.db2.gz	QUTUNDSDKZMUEV-GPMSIDNRSA-N	1	0	368.481	1.659	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CC3CC(F)(F)C3)C[C@H]2C)C1=O	ZINC001093872521	959068500	/nfs/dbraw/zinc/06/85/00/959068500.db2.gz	UXHKHULUMURPJG-BMFZPTHFSA-N	1	0	369.456	1.893	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093883393	959110336	/nfs/dbraw/zinc/11/03/36/959110336.db2.gz	JVJHPQVECSXBKS-ZTFGCOKTSA-N	1	0	354.454	1.269	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3c(C)cncc3C)C[C@H]2C)C1=O	ZINC001093916146	959197002	/nfs/dbraw/zinc/19/70/02/959197002.db2.gz	UILWNDXTNANTJA-KURKYZTESA-N	1	0	370.497	1.783	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@H]2CCCS(=O)(=O)C2)[C@H](C)C1	ZINC001093965711	959374838	/nfs/dbraw/zinc/37/48/38/959374838.db2.gz	KKUBTEIPRVNYCA-BZUAXINKSA-N	1	0	356.532	1.708	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093936201	959394620	/nfs/dbraw/zinc/39/46/20/959394620.db2.gz	FFNFDVSGNULNCL-ZTQAJYAQSA-N	1	0	354.454	1.269	20	30		FDEDRO
CCn1cc(CC(=O)N2C[C@@H](C[NH2+]Cc3ccccc3C#N)[C@H](C)C2)nn1	ZINC001093936202	959394904	/nfs/dbraw/zinc/39/49/04/959394904.db2.gz	FGWKUCUUSDLTBE-CRAIPNDOSA-N	1	0	366.469	1.596	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(OC)nn3)[C@H](C)C2)c1	ZINC001094028285	959549728	/nfs/dbraw/zinc/54/97/28/959549728.db2.gz	YOMDMSJFCJCTOD-RHSMWYFYSA-N	1	0	365.437	1.359	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3ncnn3CC)[C@H](C)C2)c1	ZINC001094028303	959550345	/nfs/dbraw/zinc/55/03/45/959550345.db2.gz	ZVFNZDVOPFNRPC-RHSMWYFYSA-N	1	0	352.442	1.172	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001094037015	959576005	/nfs/dbraw/zinc/57/60/05/959576005.db2.gz	LCLFZMKAEROODP-ZTQAJYAQSA-N	1	0	354.454	1.269	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001094047669	959616507	/nfs/dbraw/zinc/61/65/07/959616507.db2.gz	BAZFZPLEJFJMMM-CRAIPNDOSA-N	1	0	366.469	1.504	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nc(CCC)no2)[C@H](C)C1	ZINC001094055032	959643167	/nfs/dbraw/zinc/64/31/67/959643167.db2.gz	DCXPYYDVSJMPPS-FPCVCCKLSA-N	1	0	362.474	1.797	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)c3ncc(C)o3)[C@H](C)C2)nn1	ZINC001094095216	959770280	/nfs/dbraw/zinc/77/02/80/959770280.db2.gz	JXSSXSZFPBFUGF-VHDGCEQUSA-N	1	0	358.446	1.819	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ncccn3)[C@H](C)C2)nn1	ZINC001094100611	959783995	/nfs/dbraw/zinc/78/39/95/959783995.db2.gz	AKYGWFSHVAZKIB-HUUCEWRRSA-N	1	0	355.446	1.142	20	30		FDEDRO
C[N@@H+]1C[C@H](C(=O)NCCNc2nccnc2C#N)[C@@H](c2ccccc2)C1	ZINC001094132289	959855733	/nfs/dbraw/zinc/85/57/33/959855733.db2.gz	YRCLBGXXPJFHCS-CVEARBPZSA-N	1	0	350.426	1.222	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnns2)[C@H](C)C1	ZINC001094103699	959884733	/nfs/dbraw/zinc/88/47/33/959884733.db2.gz	YBVBCEGCUIUADE-VDERGJSUSA-N	1	0	350.488	1.703	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH2+]Cc3ccccc3C#N)[C@H](C)C2)C1	ZINC001094156557	959926877	/nfs/dbraw/zinc/92/68/77/959926877.db2.gz	YCAAVXROJMMBJJ-GPMSIDNRSA-N	1	0	368.481	1.611	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)[nH]2)[C@H](C)C1	ZINC001094159010	959929641	/nfs/dbraw/zinc/92/96/41/959929641.db2.gz	URCXYDOPIDELQA-UKRRQHHQSA-N	1	0	370.457	1.571	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nnc(C)n3CC)[C@H](C)C2)nc1	ZINC001094172750	959971363	/nfs/dbraw/zinc/97/13/63/959971363.db2.gz	YRZFJRGSUVYELM-RHSMWYFYSA-N	1	0	366.469	1.481	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]Cc2nonc2C)[C@H](C)C1	ZINC001094173934	959973626	/nfs/dbraw/zinc/97/36/26/959973626.db2.gz	HBPSIXFVNKOJKY-UKRRQHHQSA-N	1	0	369.425	1.283	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H]3CCN(C(C)C)C3=O)[C@H](C)C2)nc1	ZINC001094174709	959978422	/nfs/dbraw/zinc/97/84/22/959978422.db2.gz	QBVQIAWVZZXOOZ-SUMDDJOVSA-N	1	0	368.481	1.370	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]Cc2cnn(CC)n2)[C@H](C)C1	ZINC001094188412	960070361	/nfs/dbraw/zinc/07/03/61/960070361.db2.gz	UEVIIBTYPIKYTJ-VQIMIIECSA-N	1	0	365.481	1.706	20	30		FDEDRO
CC(=O)N1CC[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3ccccc3C#N)[C@H](C)C2)C1	ZINC001094193263	960083911	/nfs/dbraw/zinc/08/39/11/960083911.db2.gz	QXIWGURNKHSUHU-CDHQVMDDSA-N	1	0	368.481	1.611	20	30		FDEDRO
C#C[C@H](NCC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)[C@@H]1CCCO1	ZINC000775791337	972483925	/nfs/dbraw/zinc/48/39/25/972483925.db2.gz	LUZHOFUODQFYSP-PMACEKPBSA-N	1	0	370.497	1.537	20	30		FDEDRO
N#Cc1ccccc1C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC(=O)N3)CCC[C@@H]12	ZINC001094378169	960370301	/nfs/dbraw/zinc/37/03/01/960370301.db2.gz	GIMGPXXKOIFDIN-DBXWQHBBSA-N	1	0	366.465	1.698	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@@H]4COC(=O)N4)CCC[C@@H]23)cc1	ZINC001094407538	960387825	/nfs/dbraw/zinc/38/78/25/960387825.db2.gz	RFCKMOCEVNPOGV-SQGPQFPESA-N	1	0	368.437	1.527	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC(=O)N(CCOC)C3)CCC[C@@H]12	ZINC001094430360	960437974	/nfs/dbraw/zinc/43/79/74/960437974.db2.gz	MMQABXZKFZRJBT-MBOZVWFJSA-N	1	0	363.502	1.418	20	30		FDEDRO
N#CCN1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)CCC[C@@H]12	ZINC001094432858	960441795	/nfs/dbraw/zinc/44/17/95/960441795.db2.gz	FBVZSCCNDFDJIQ-NLWGTHIKSA-N	1	0	360.502	1.514	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CNC(=O)c4ccccc43)CCC[C@@H]12	ZINC001094433557	960446045	/nfs/dbraw/zinc/44/60/45/960446045.db2.gz	QIPRIYLZJMAWCL-NNMXDRDESA-N	1	0	365.477	1.898	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(=O)n(CCOC)c3)CCC[C@@H]12	ZINC001094458580	960557100	/nfs/dbraw/zinc/55/71/00/960557100.db2.gz	PJGHKEKHTDOEHQ-YLJYHZDGSA-N	1	0	359.470	1.655	20	30		FDEDRO
CCOC(=O)C1(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)CC[NH+](C)CC1	ZINC001181205455	960658748	/nfs/dbraw/zinc/65/87/48/960658748.db2.gz	SUVMUOXWBWBCID-UHFFFAOYSA-N	1	0	373.453	1.859	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NC2CC2)CC3)c1	ZINC001094508727	960685521	/nfs/dbraw/zinc/68/55/21/960685521.db2.gz	KTBAGYYJSPVULY-WIYYLYMNSA-N	1	0	366.465	1.316	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)c3cn4nc(C)cc4[nH]c3=O)CCC[C@@H]12	ZINC001094537302	960759870	/nfs/dbraw/zinc/75/98/70/960759870.db2.gz	WCTWRVVFDPZUPO-OXQOHEQNSA-N	1	0	369.469	1.882	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(-n4cncn4)n3)CCC[C@@H]12	ZINC001094548837	960890190	/nfs/dbraw/zinc/89/01/90/960890190.db2.gz	OVGLNPQLYQAWAX-VQIMIIECSA-N	1	0	350.426	1.270	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cn([C@H]4CCOC4)nn3)CCC[C@@H]12	ZINC001094556266	960908719	/nfs/dbraw/zinc/90/87/19/960908719.db2.gz	JSMUAVRMISLKHS-KVSKMBFKSA-N	1	0	357.458	1.237	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccnc(-n4cncn4)c3)CCC[C@@H]12	ZINC001094587923	960916924	/nfs/dbraw/zinc/91/69/24/960916924.db2.gz	FESGWIBWUFRAJC-VQIMIIECSA-N	1	0	352.442	1.823	20	30		FDEDRO
C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1	ZINC000773947403	961116999	/nfs/dbraw/zinc/11/69/99/961116999.db2.gz	ILZKVQSGXLXKLU-MRXNPFEDSA-N	1	0	370.497	1.883	20	30		FDEDRO
C=C(C)CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3OCC[C@H]3C(C)C)CC2=O)C1	ZINC001094738786	961135104	/nfs/dbraw/zinc/13/51/04/961135104.db2.gz	NXMIHMYBDSPQTC-IEZWGBDMSA-N	1	0	363.502	1.415	20	30		FDEDRO
C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@@H+]([C@@H]1CCN3C(=O)CC[C@@H]3C1)C2	ZINC001172168078	961525092	/nfs/dbraw/zinc/52/50/92/961525092.db2.gz	BAMHXBUPDKSEDM-DBXWQHBBSA-N	1	0	374.529	1.323	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H]2[C@@H]1CC(=O)N2CC(=O)N(C)C	ZINC001172308852	961617916	/nfs/dbraw/zinc/61/79/16/961617916.db2.gz	PDAPNFHKDJKMFU-WBAXXEDZSA-N	1	0	354.454	1.253	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)N([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccccn1	ZINC001172310859	961617963	/nfs/dbraw/zinc/61/79/63/961617963.db2.gz	KHBTXRZXQLHFBQ-MAUKXSAKSA-N	1	0	370.478	1.937	20	30		FDEDRO
C[C@@H](CCCC#N)[NH2+][C@H]1CCc2c(ccc(=O)n2CCN2CCCC2=O)C1	ZINC001172481216	961667174	/nfs/dbraw/zinc/66/71/74/961667174.db2.gz	QUIWUBWZYPKHPT-WMZOPIPTSA-N	1	0	370.497	2.000	20	30		FDEDRO
C[C@H](CCCC#N)[NH2+]Cc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC001172488970	961685749	/nfs/dbraw/zinc/68/57/49/961685749.db2.gz	ORVRXLZBPRCMLW-OAHLLOKOSA-N	1	0	351.472	1.879	20	30		FDEDRO
C[C@@H](CCCC#N)[NH2+]CCN1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC001172488743	961685942	/nfs/dbraw/zinc/68/59/42/961685942.db2.gz	NABBOSBCKFAQPG-KRWDZBQOSA-N	1	0	364.515	1.665	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCOC)C1	ZINC001111558010	961705560	/nfs/dbraw/zinc/70/55/60/961705560.db2.gz	WWVGWMICMRTMNJ-LPHOPBHVSA-N	1	0	351.491	1.418	20	30		FDEDRO
COC(=O)C1(C#N)CC[NH+]([C@@H]2CCN(Cc3ccccc3)C(=O)C2)CC1	ZINC001172686819	961735857	/nfs/dbraw/zinc/73/58/57/961735857.db2.gz	JLSIBUWVHHNMPY-QGZVFWFLSA-N	1	0	355.438	1.956	20	30		FDEDRO
C#CCCN1CCC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C(=O)C2)C1=O	ZINC001172664343	961743276	/nfs/dbraw/zinc/74/32/76/961743276.db2.gz	MTVLKIDGUYHJMS-OALUTQOASA-N	1	0	353.466	1.782	20	30		FDEDRO
C=CCOC(=O)N1CC2(C1)CC[NH+](C1CCN(C(=O)OC)CC1)CC2	ZINC001172735741	961759350	/nfs/dbraw/zinc/75/93/50/961759350.db2.gz	DWTIXPMVPXPABU-UHFFFAOYSA-N	1	0	351.447	1.938	20	30		FDEDRO
C[NH+]1CCC(c2ccc(-n3c(N)c(C#N)c(N)nc3=NC3CC3)cc2)CC1	ZINC001212689228	961818227	/nfs/dbraw/zinc/81/82/27/961818227.db2.gz	SKQMNERLXCHMTA-UHFFFAOYSA-N	1	0	363.469	1.781	20	30		FDEDRO
CC(=O)N1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1	ZINC001172971165	961856284	/nfs/dbraw/zinc/85/62/84/961856284.db2.gz	MWYOJTQJYGGPTC-HOTGVXAUSA-N	1	0	350.463	1.879	20	30		FDEDRO
CC(C)N1C[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1=O	ZINC001172972591	961858863	/nfs/dbraw/zinc/85/88/63/961858863.db2.gz	BENFUDQQKRJJDB-KFWWJZLASA-N	1	0	350.463	1.877	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC(NC(N)=O)CC2)C[C@H]1C#N	ZINC001172979140	961862490	/nfs/dbraw/zinc/86/24/90/961862490.db2.gz	BXVYURIFWMKLDS-KBPBESRZSA-N	1	0	351.451	1.411	20	30		FDEDRO
CNC(=O)C1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1	ZINC001172980845	961864014	/nfs/dbraw/zinc/86/40/14/961864014.db2.gz	QEGTUFGONBNXLC-CABCVRRESA-N	1	0	350.463	1.736	20	30		FDEDRO
CNC(=O)NC1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1	ZINC001172992781	961902095	/nfs/dbraw/zinc/90/20/95/961902095.db2.gz	FKKTZKSTFYJYKS-CABCVRRESA-N	1	0	365.478	1.671	20	30		FDEDRO
C=CCN1CC[NH+]([C@@H]2CCN(Cc3ccc(OC)cc3OC)C(=O)C2)CC1	ZINC001173034455	961905446	/nfs/dbraw/zinc/90/54/46/961905446.db2.gz	WHEMOAXGJYEAIE-GOSISDBHSA-N	1	0	373.497	1.998	20	30		FDEDRO
O=C(NCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1N=CC=CC1=O	ZINC000774245478	961908473	/nfs/dbraw/zinc/90/84/73/961908473.db2.gz	UVMSUONKWUCQMV-FGQLKYCASA-N	1	0	374.401	1.391	20	30		FDEDRO
CN(C)C(=O)COC[C@H]1Cn2nccc2C[N@@H+](C2CCC(CC#N)CC2)C1	ZINC001173336008	962008323	/nfs/dbraw/zinc/00/83/23/962008323.db2.gz	JZKOOWZUTIGOMW-LXPRWKDFSA-N	1	0	373.501	1.892	20	30		FDEDRO
COc1ccc(C(=O)N2CCC([NH+]3CCN(CCC#N)CC3)CC2)cc1	ZINC001173408194	962086146	/nfs/dbraw/zinc/08/61/46/962086146.db2.gz	WKFBTPKGRSAZGL-UHFFFAOYSA-N	1	0	356.470	1.831	20	30		FDEDRO
COC(=O)C12CC([NH2+]C3CCN(C(=O)c4ccc(C#N)cc4)CC3)(C1)C2	ZINC001173422368	962120631	/nfs/dbraw/zinc/12/06/31/962120631.db2.gz	NVYVMNUWAPNYQX-UHFFFAOYSA-N	1	0	353.422	1.848	20	30		FDEDRO
Cc1nc(=N)n(C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1C[NH3+]	ZINC001173427566	962138208	/nfs/dbraw/zinc/13/82/08/962138208.db2.gz	ABMNWBFMSFMKSI-UHFFFAOYSA-N	1	0	350.426	1.479	20	30		FDEDRO
CN1CCC(CO)([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1	ZINC001173428717	962144023	/nfs/dbraw/zinc/14/40/23/962144023.db2.gz	JMPORMZZSWQQQM-UHFFFAOYSA-N	1	0	356.470	1.209	20	30		FDEDRO
CC[N@H+](CCN1CCOCC1)C1CCN(C(=O)c2ccc(C#N)cc2)CC1	ZINC001173433139	962154292	/nfs/dbraw/zinc/15/42/92/962154292.db2.gz	MBNGHWAYPCTQGS-UHFFFAOYSA-N	1	0	370.497	1.817	20	30		FDEDRO
CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)Cc2c[nH]c3cccc(C#N)c23)O1	ZINC001182586534	962326094	/nfs/dbraw/zinc/32/60/94/962326094.db2.gz	WBNKAHRNFNBFEY-MDZRGWNJSA-N	1	0	356.426	1.423	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCc2cnn(C)c2)C1	ZINC001182669022	962378231	/nfs/dbraw/zinc/37/82/31/962378231.db2.gz	AKBAPLQAXUQTDX-PHXBYCTMSA-N	1	0	360.502	1.628	20	30		FDEDRO
COCCN1CCN(C)C2(CC[NH+](C3CCC(C)(C#N)CC3)CC2)C1=O	ZINC001173595674	962470872	/nfs/dbraw/zinc/47/08/72/962470872.db2.gz	SJPXQUYBWLNVOV-UHFFFAOYSA-N	1	0	362.518	1.714	20	30		FDEDRO
N#Cc1ccc(CN2CC[NH+](CCCNC(=O)C(F)(F)F)CC2)cc1	ZINC000774545744	962525240	/nfs/dbraw/zinc/52/52/40/962525240.db2.gz	FMUAHWWVAVMDRU-UHFFFAOYSA-N	1	0	354.376	1.744	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1	ZINC001183043000	962755024	/nfs/dbraw/zinc/75/50/24/962755024.db2.gz	JGJBEODZAIVATC-OXQOHEQNSA-N	1	0	374.460	1.727	20	30		FDEDRO
CC[N@H+](CCCC(=O)N1CCNC[C@@H]1C#N)[C@@H](C)Cc1ccc(O)cc1	ZINC001183046988	962759413	/nfs/dbraw/zinc/75/94/13/962759413.db2.gz	ADEWPDVSOZTTMT-WMZOPIPTSA-N	1	0	358.486	1.749	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@](C)(NC(C)=O)C(C)C)C2	ZINC001110176299	962997193	/nfs/dbraw/zinc/99/71/93/962997193.db2.gz	QRMIUEKLSRNPKZ-DFEOGRTESA-N	1	0	351.491	1.461	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)[nH]c(C2CC2)n1	ZINC001110184448	963142855	/nfs/dbraw/zinc/14/28/55/963142855.db2.gz	KELVNSARZLUIFN-VZEFYGNVSA-N	1	0	372.469	1.872	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)N1CCCCC1	ZINC001175360061	963166325	/nfs/dbraw/zinc/16/63/25/963166325.db2.gz	XIQUSBKYLKLNDT-KSZLIROESA-N	1	0	365.518	1.855	20	30		FDEDRO
C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC001175664081	963259991	/nfs/dbraw/zinc/25/99/91/963259991.db2.gz	PJPOLAAUCDMVPV-VDZJLULYSA-N	1	0	356.470	1.499	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@]2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC000957537800	1013408525	/nfs/dbraw/zinc/40/85/25/1013408525.db2.gz	QSFYIGHYOANUTM-WIBUTAKZSA-N	1	0	354.454	1.124	20	30		FDEDRO
C#C[C@H](NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)[C@@H]1CCCO1	ZINC000773563349	963408989	/nfs/dbraw/zinc/40/89/89/963408989.db2.gz	VYYLEZKYVXVEIO-ROUUACIJSA-N	1	0	363.502	1.749	20	30		FDEDRO
C#C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCCO1	ZINC000773564990	963411569	/nfs/dbraw/zinc/41/15/69/963411569.db2.gz	VXVSDSATJQCWCD-VQTJNVASSA-N	1	0	366.465	1.956	20	30		FDEDRO
CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CN(c3cccc(C#N)c3)C(=O)O2)C1	ZINC001184381959	963567473	/nfs/dbraw/zinc/56/74/73/963567473.db2.gz	UVPKPARKSJVVEQ-IAGOWNOFSA-N	1	0	356.426	1.825	20	30		FDEDRO
CO/N=C(\C(=O)NCC[N@H+](C)CCNC(=O)OC(C)(C)C)c1ccco1	ZINC001177355936	963798022	/nfs/dbraw/zinc/79/80/22/963798022.db2.gz	ZZHZXQGSQRIENT-ZHZULCJRSA-N	1	0	368.434	1.203	20	30		FDEDRO
C#CCN1CC(O)(CN(Cc2ccccc2)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC001177528911	963866332	/nfs/dbraw/zinc/86/63/32/963866332.db2.gz	BVAFMAKAWCCLIM-VQTJNVASSA-N	1	0	369.509	1.425	20	30		FDEDRO
Cn1cc(CCC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)nn1	ZINC001110210125	963877460	/nfs/dbraw/zinc/87/74/60/963877460.db2.gz	WFTZTVPJUQNYAC-QYZOEREBSA-N	1	0	364.453	1.541	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1	ZINC001177760169	963961419	/nfs/dbraw/zinc/96/14/19/963961419.db2.gz	ZZLRSUQPKAPRGS-IBGZPJMESA-N	1	0	354.498	1.413	20	30		FDEDRO
Cn1cc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)c(-c2ccc(F)cc2)n1	ZINC001177816373	963964541	/nfs/dbraw/zinc/96/45/41/963964541.db2.gz	MLXIUUDNWFODJR-HNENSFHCSA-N	1	0	369.400	1.842	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1Cc3cccc(C)c3O1)C2	ZINC001110216280	964085708	/nfs/dbraw/zinc/08/57/08/964085708.db2.gz	HJNXUTFKCPKBKS-VSZNYVQBSA-N	1	0	369.465	1.322	20	30		FDEDRO
N#Cc1cncc(CNC(=O)[C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)c1	ZINC001178373160	964203119	/nfs/dbraw/zinc/20/31/19/964203119.db2.gz	FDVGOGZTYYJGLA-HXUWFJFHSA-N	1	0	350.422	1.597	20	30		FDEDRO
N#Cc1cncc(CNC(=O)[C@]2(O)CCC[N@H+](Cc3ccccc3)C2)c1	ZINC001178373159	964203663	/nfs/dbraw/zinc/20/36/63/964203663.db2.gz	FDVGOGZTYYJGLA-FQEVSTJZSA-N	1	0	350.422	1.597	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H](C)NC(C)=O)C1	ZINC001186155871	964328258	/nfs/dbraw/zinc/32/82/58/964328258.db2.gz	JDEFPBYHJIXCMI-POZUXBRTSA-N	1	0	359.445	1.505	20	30		FDEDRO
C#CCNC(=O)CC(=O)NC[C@@H]1C[N@H+](CC)CC[C@@H]1c1ccc(F)cc1	ZINC001186190138	964341266	/nfs/dbraw/zinc/34/12/66/964341266.db2.gz	VVLBUZMIIYCXFZ-SJLPKXTDSA-N	1	0	359.445	1.507	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCNC(=O)NC(C)C)[C@@H]1C	ZINC001178726226	964365460	/nfs/dbraw/zinc/36/54/60/964365460.db2.gz	XBXQCYRZXVNUQO-YVSFHVDLSA-N	1	0	366.506	1.254	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@@H]1CCCN(c2cnn(C)c2)C1=O	ZINC001110379081	964419621	/nfs/dbraw/zinc/41/96/21/964419621.db2.gz	VEEJHQBTVZIGLH-NRSFXHEJSA-N	1	0	371.485	1.603	20	30		FDEDRO
C=CCOCC[NH2+]C[C@H]1CN(C(=O)[C@]23C[C@H]2COC3)CC12CCOCC2	ZINC001186382077	964487890	/nfs/dbraw/zinc/48/78/90/964487890.db2.gz	OFQXBHAQIJZLIB-ZWOKBUDYSA-N	1	0	364.486	1.070	20	30		FDEDRO
C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1	ZINC001178978587	964566516	/nfs/dbraw/zinc/56/65/16/964566516.db2.gz	OYRKKCGTOITPGO-AITUJVMLSA-N	1	0	368.481	1.789	20	30		FDEDRO
COCC[N@H+](C)CCN1C[C@H](Nc2ccc(C#N)cc2[N+](=O)[O-])CC1=O	ZINC001186757631	964714163	/nfs/dbraw/zinc/71/41/63/964714163.db2.gz	YJILYODJXDSAMD-CQSZACIVSA-N	1	0	361.402	1.057	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2C[C@H]2C2CC2)[C@H]1C	ZINC001179179263	964743488	/nfs/dbraw/zinc/74/34/88/964743488.db2.gz	OLJCDVXYNIHYCO-TUUVXOQKSA-N	1	0	362.474	1.013	20	30		FDEDRO
C=CC[NH+](CC=C)CCN1CCN(C(=O)NCC2CCOCC2)CC1	ZINC001186928659	964838937	/nfs/dbraw/zinc/83/89/37/964838937.db2.gz	DBLLUMSFPXLFCU-UHFFFAOYSA-N	1	0	350.507	1.414	20	30		FDEDRO
C#CCC[C@@H](O)C[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1	ZINC001179489822	964886849	/nfs/dbraw/zinc/88/68/49/964886849.db2.gz	WMAZHORVZQBKGH-QGZVFWFLSA-N	1	0	366.889	1.915	20	30		FDEDRO
NC(=O)[C@@H]1CC[C@H](C(=O)NCCCCCC[NH2+]CC#Cc2ccccc2)O1	ZINC001179573482	964905443	/nfs/dbraw/zinc/90/54/43/964905443.db2.gz	ZTFRQPQCALKEIM-RBUKOAKNSA-N	1	0	371.481	1.337	20	30		FDEDRO
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cc[nH+]cc2C)CC1	ZINC001179586323	964917806	/nfs/dbraw/zinc/91/78/06/964917806.db2.gz	VSAVMHMIXHMSNX-INIZCTEOSA-N	1	0	372.469	1.955	20	30		FDEDRO
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1	ZINC001179589836	964918924	/nfs/dbraw/zinc/91/89/24/964918924.db2.gz	KBVCUYMTMDGLIC-DZKIICNBSA-N	1	0	365.474	1.400	20	30		FDEDRO
CC(C)(C)OC(=O)NC1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@@H]3C#N)C2)CC1	ZINC001186976573	964919560	/nfs/dbraw/zinc/91/95/60/964919560.db2.gz	DMOJLOIEXNBLHW-VNQPRFMTSA-N	1	0	362.474	1.736	20	30		FDEDRO
C[NH+](C)[C@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccccc1	ZINC001179651672	964935392	/nfs/dbraw/zinc/93/53/92/964935392.db2.gz	NKHQEXWRHVEELL-LZLYRXPVSA-N	1	0	361.467	1.076	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCCOC)[C@@H]2C1	ZINC001186994023	964938856	/nfs/dbraw/zinc/93/88/56/964938856.db2.gz	NGZCSSIVTQPRFM-FGTMMUONSA-N	1	0	365.518	1.759	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+]C[C@H](O)Cn1cccn1	ZINC001179638519	964942098	/nfs/dbraw/zinc/94/20/98/964942098.db2.gz	SWKUATJZZXDIFW-KSZLIROESA-N	1	0	364.490	1.101	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2F)[C@H]1C	ZINC001179685825	964943948	/nfs/dbraw/zinc/94/39/48/964943948.db2.gz	PIWPEAGCQAFNOD-SCNOPHJPSA-N	1	0	359.445	1.810	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2C[NH+]3CCC2CC3)c1	ZINC001179893457	965018906	/nfs/dbraw/zinc/01/89/06/965018906.db2.gz	JSJDSTGCGZXZJG-MRXNPFEDSA-N	1	0	363.483	1.223	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1CC[C@H]2CN(Cc3cc4n(n3)CCC4)C[C@H]21	ZINC001187225617	965100698	/nfs/dbraw/zinc/10/06/98/965100698.db2.gz	GJLLGDSYTAFDAU-JTDSTZFVSA-N	1	0	358.486	1.843	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C(N)=O)c3)C[C@H]21	ZINC001187226393	965102012	/nfs/dbraw/zinc/10/20/12/965102012.db2.gz	VVHBARXMSDDAJN-ZYSHUDEJSA-N	1	0	371.481	1.799	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](CCc3cnn(CC)c3)C[C@H]21	ZINC001187226687	965102296	/nfs/dbraw/zinc/10/22/96/965102296.db2.gz	YDMJYIKTYWFGDC-YTQUADARSA-N	1	0	360.502	1.959	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(C(=O)NC)c3)C[C@H]21	ZINC001187325948	965190730	/nfs/dbraw/zinc/19/07/30/965190730.db2.gz	FSNUILJJJRSDAP-ZWKOTPCHSA-N	1	0	357.454	1.282	20	30		FDEDRO
COC[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21	ZINC001187296993	965215339	/nfs/dbraw/zinc/21/53/39/965215339.db2.gz	WKRJLDFRPRAYQC-HHXXYDBFSA-N	1	0	357.454	1.904	20	30		FDEDRO
C[NH+]1CCC(CO)(NC(=O)C2CCN(c3ccccc3C#N)CC2)CC1	ZINC001180509343	965372074	/nfs/dbraw/zinc/37/20/74/965372074.db2.gz	HWDIPTFSRYDDSH-UHFFFAOYSA-N	1	0	356.470	1.348	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](CCc3ccccc3F)C[C@H]21	ZINC001187605636	965555591	/nfs/dbraw/zinc/55/55/91/965555591.db2.gz	ORWBMFGEUOCMAF-FUHWJXTLSA-N	1	0	357.429	1.040	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@H]21	ZINC001187882785	965884595	/nfs/dbraw/zinc/88/45/95/965884595.db2.gz	VXXLWWLVGRAWHH-OFQRWUPVSA-N	1	0	350.850	1.108	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CC[C@H]2CN(CC(=O)NC[C@H]3CCOC3)C[C@H]21	ZINC001188063092	965986216	/nfs/dbraw/zinc/98/62/16/965986216.db2.gz	BNNMSRYJTHUKLY-IXDOHACOSA-N	1	0	363.502	1.274	20	30		FDEDRO
C=C(C)CCC(=O)N1CC[C@H]2CN(CC(=O)NC(=O)NCCC)C[C@H]21	ZINC001188080413	965996586	/nfs/dbraw/zinc/99/65/86/965996586.db2.gz	DDDLASYHMCXBLI-LSDHHAIUSA-N	1	0	350.463	1.111	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC000964462075	1013618321	/nfs/dbraw/zinc/61/83/21/1013618321.db2.gz	DSEOJXDTKNECRV-FVQBIDKESA-N	1	0	357.458	1.337	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnc4ccccc4n3)[C@@H]2C1	ZINC001188212283	966126506	/nfs/dbraw/zinc/12/65/06/966126506.db2.gz	FLRZKOJPXDGKRG-HNAYVOBHSA-N	1	0	352.438	1.979	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4ccc(OC)cc43)[C@@H]2C1	ZINC001188219511	966134519	/nfs/dbraw/zinc/13/45/19/966134519.db2.gz	QSOVQSSDARIJNP-HFSMHLIXSA-N	1	0	368.477	1.908	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)c4ccccc43)[C@@H]2C1	ZINC001188226582	966138193	/nfs/dbraw/zinc/13/81/93/966138193.db2.gz	RIRBJQLDTRUJSB-KFKAGJAMSA-N	1	0	369.465	1.249	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3nc(OC)cc(OC)n3)[C@@H]2C1	ZINC001188343308	966222800	/nfs/dbraw/zinc/22/28/00/966222800.db2.gz	UXLSBZYTSMALBZ-QLFBSQMISA-N	1	0	360.458	1.995	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1C[C@@H]2CCN(C(=O)c3ccsn3)[C@@H]2C1	ZINC001188308229	966232220	/nfs/dbraw/zinc/23/22/20/966232220.db2.gz	UGJOBMYAHOLHHK-GOEBONIOSA-N	1	0	360.483	1.490	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccnc4ccncc43)[C@@H]2C1	ZINC001188664571	966486393	/nfs/dbraw/zinc/48/63/93/966486393.db2.gz	ORYAOGSQLDVDNS-HNAYVOBHSA-N	1	0	350.422	1.426	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CC(C)(C)COC)[C@@H]3C2)C1=O	ZINC001188680791	966492336	/nfs/dbraw/zinc/49/23/36/966492336.db2.gz	MAJBAPLOSSXJND-YESZJQIVSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc4cn[nH]c43)[C@@H]2C1	ZINC001188739506	966547719	/nfs/dbraw/zinc/54/77/19/966547719.db2.gz	SHSYPVPXULFLNC-UKPHBRMFSA-N	1	0	367.453	1.400	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc4cn[nH]c43)[C@@H]2C1	ZINC001188739503	966548502	/nfs/dbraw/zinc/54/85/02/966548502.db2.gz	SHSYPVPXULFLNC-JLJPHGGASA-N	1	0	367.453	1.400	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3ccccc3C(N)=O)[C@@H]2C1	ZINC001188760041	966564200	/nfs/dbraw/zinc/56/42/00/966564200.db2.gz	RLWXKTLLGXCYSI-FUHWJXTLSA-N	1	0	357.454	1.063	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)NC(C)C)C[C@H]21	ZINC001188885572	966607669	/nfs/dbraw/zinc/60/76/69/966607669.db2.gz	QQZRVZXAZOOKTP-YESZJQIVSA-N	1	0	350.507	1.829	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c(C)cc(C)[nH]c3=O)[C@@H]2C1	ZINC001188917730	966629639	/nfs/dbraw/zinc/62/96/39/966629639.db2.gz	KEWMMQRRGPSMPQ-FUHWJXTLSA-N	1	0	359.470	1.682	20	30		FDEDRO
C=CCCCC(=O)N1CC[C@H]2C[N@@H+](CCCNS(=O)(=O)CC)C[C@H]21	ZINC001188999727	966694383	/nfs/dbraw/zinc/69/43/83/966694383.db2.gz	YEYPFTJIZPXRBH-JKSUJKDBSA-N	1	0	357.520	1.205	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cccnc3C)[C@@H]2C1	ZINC001189118150	966746905	/nfs/dbraw/zinc/74/69/05/966746905.db2.gz	RDPNSYUSRLIIED-RYQLBKOJSA-N	1	0	356.470	1.156	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccnc4c3ncn4C)[C@@H]2C1	ZINC001189092949	966766858	/nfs/dbraw/zinc/76/68/58/966766858.db2.gz	HMGMKWNFHGYAOJ-GOEBONIOSA-N	1	0	355.442	1.317	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1	ZINC000964522463	1013678214	/nfs/dbraw/zinc/67/82/14/1013678214.db2.gz	NDNDRWLTMOJTJX-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4ccccc4C3)[C@@H]2C1	ZINC001189230274	966841208	/nfs/dbraw/zinc/84/12/08/966841208.db2.gz	JYQFFRXUEMUHFJ-PCCBWWKXSA-N	1	0	352.478	1.974	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4cnccc4n3)[C@@H]2C1	ZINC001189230538	966842724	/nfs/dbraw/zinc/84/27/24/966842724.db2.gz	TZKBVVSTVCNLDU-QFBILLFUSA-N	1	0	352.438	1.979	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCOc4ccccc43)[C@@H]2C1	ZINC001189425401	966970318	/nfs/dbraw/zinc/97/03/18/966970318.db2.gz	NHNHZLOWPRPAQC-YTQUADARSA-N	1	0	354.450	1.735	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CNC(=O)C3CCOCC3)[C@@H]2C1	ZINC001189454074	967001348	/nfs/dbraw/zinc/00/13/48/967001348.db2.gz	QKCMALGMOTUTNY-RYQLBKOJSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCCn1cc(C[NH2+]C2(CO)CCN(C(=O)OC(C)(C)C)CC2)nn1	ZINC000852172920	967050376	/nfs/dbraw/zinc/05/03/76/967050376.db2.gz	DARMJIXMTWJMIR-UHFFFAOYSA-N	1	0	365.478	1.706	20	30		FDEDRO
COCC#CCN1C[C@@H]2CCN(C(=O)c3n[nH]c4c3C[C@H](C)CC4)[C@@H]2C1	ZINC001189597649	967067874	/nfs/dbraw/zinc/06/78/74/967067874.db2.gz	LCPJOZVUBVHKPB-RVKKMQEKSA-N	1	0	356.470	1.331	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)CC1	ZINC000775266213	967071836	/nfs/dbraw/zinc/07/18/36/967071836.db2.gz	HLCZUAIMCWCXIF-MRXNPFEDSA-N	1	0	370.453	1.071	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)COCc3ncnn3C)[C@@H]2C1	ZINC001189623262	967121320	/nfs/dbraw/zinc/12/13/20/967121320.db2.gz	ZBFZONXRLBLLOV-DLBZAZTESA-N	1	0	363.506	1.835	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)COC)[C@@H]2C1	ZINC001189623000	967121422	/nfs/dbraw/zinc/12/14/22/967121422.db2.gz	WNDAGNVSCVCYKZ-OKZBNKHCSA-N	1	0	363.502	1.392	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)CN1C(=O)c2ccc(C)cc2C1=O	ZINC000121370106	967177219	/nfs/dbraw/zinc/17/72/19/967177219.db2.gz	SDKYJESYZAHWLE-HNNXBMFYSA-N	1	0	356.422	1.868	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1	ZINC000852360275	967250876	/nfs/dbraw/zinc/25/08/76/967250876.db2.gz	WXWZCASPQRCRQX-OAHLLOKOSA-N	1	0	358.442	1.055	20	30		FDEDRO
C#CCNC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1	ZINC000852478657	967362242	/nfs/dbraw/zinc/36/22/42/967362242.db2.gz	WOGVZLPWOGKKGR-HUUCEWRRSA-N	1	0	373.419	1.781	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1oc(C)nc1C)C2	ZINC001110421048	967453658	/nfs/dbraw/zinc/45/36/58/967453658.db2.gz	SMXVTIOILABKQZ-ZACQAIPSSA-N	1	0	372.469	1.827	20	30		FDEDRO
C#C[C@H](NC(=O)NC1CC[NH+](CCOC(C)C)CC1)C1CCOCC1	ZINC000852644616	967496022	/nfs/dbraw/zinc/49/60/22/967496022.db2.gz	RLVCCBMKZHPFIG-SFHVURJKSA-N	1	0	351.491	1.603	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)Nc1ccccc1C(=O)NCC(F)(F)F	ZINC000852807039	967621375	/nfs/dbraw/zinc/62/13/75/967621375.db2.gz	OWQNJOWINFWMSE-UHFFFAOYSA-N	1	0	353.344	1.920	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1	ZINC000852807456	967622129	/nfs/dbraw/zinc/62/21/29/967622129.db2.gz	VGVGXWGISZBSLM-GOSISDBHSA-N	1	0	370.453	1.929	20	30		FDEDRO
CC[C@@H](NC(=O)C#CC1CC[NH2+]CC1)c1ccccc1OCC(=O)N(C)C	ZINC000852814846	967627950	/nfs/dbraw/zinc/62/79/50/967627950.db2.gz	PILTZEYAOOJOSM-GOSISDBHSA-N	1	0	371.481	1.724	20	30		FDEDRO
CSc1nnc(CCCNC(=O)C#CC2CC[NH2+]CC2)n1CC(C)C	ZINC000852816381	967628699	/nfs/dbraw/zinc/62/86/99/967628699.db2.gz	SUFRAVSDCGVMOD-UHFFFAOYSA-N	1	0	363.531	1.708	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCN2CCCC2=O)C1	ZINC001190229573	967644779	/nfs/dbraw/zinc/64/47/79/967644779.db2.gz	IZDMRNFCIXOQBX-KURKYZTESA-N	1	0	363.502	1.513	20	30		FDEDRO
CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C#CC2CC[NH2+]CC2)c1	ZINC000852849662	967655061	/nfs/dbraw/zinc/65/50/61/967655061.db2.gz	JOIQDRMFCSJNOM-CQSZACIVSA-N	1	0	363.483	1.705	20	30		FDEDRO
Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C#CC3CC[NH2+]CC3)C2)nc1	ZINC000852860632	967666437	/nfs/dbraw/zinc/66/64/37/967666437.db2.gz	TVOAEYVVDMPTNM-QGZVFWFLSA-N	1	0	354.454	1.570	20	30		FDEDRO
C=CC[C@]1(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCC[NH2+]1	ZINC000852860313	967666594	/nfs/dbraw/zinc/66/65/94/967666594.db2.gz	BQRJOHDZAQEKPN-DYESRHJHSA-N	1	0	370.497	1.703	20	30		FDEDRO
CC(C)C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)c1nc(-c2nc[nH]n2)no1	ZINC000852887180	967690228	/nfs/dbraw/zinc/69/02/28/967690228.db2.gz	HPKANPRQHUVXAS-CYBMUJFWSA-N	1	0	357.418	1.061	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)c3cccc(OC)c3)[C@@H]2C1	ZINC001190351351	967775219	/nfs/dbraw/zinc/77/52/19/967775219.db2.gz	WAFVEFPCJMAAKU-IMFGXOCKSA-N	1	0	356.466	1.981	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]CCc1ccc(I)cc1	ZINC000853117832	967842229	/nfs/dbraw/zinc/84/22/29/967842229.db2.gz	FLAAPLMBSSEREL-UHFFFAOYSA-N	1	0	356.207	1.563	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc4c(c3)nnn4C)C[C@H]21	ZINC001190440952	967853161	/nfs/dbraw/zinc/85/31/61/967853161.db2.gz	MJRBBIHOCMSMTI-URLQWDBASA-N	1	0	369.469	1.592	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cnc(COC)s3)[C@@H]2C1	ZINC001190535072	967933479	/nfs/dbraw/zinc/93/34/79/967933479.db2.gz	NEBHGAUKICZGTG-UONOGXRCSA-N	1	0	351.472	1.638	20	30		FDEDRO
C#CC[C@@H]([NH2+]CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1)c1ccccc1	ZINC000775399180	967954687	/nfs/dbraw/zinc/95/46/87/967954687.db2.gz	QHZSASMMQQTQTP-QGZVFWFLSA-N	1	0	371.462	1.935	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(c3cc(Br)cnc3C#N)CC2)C1	ZINC000853340773	967977283	/nfs/dbraw/zinc/97/72/83/967977283.db2.gz	IFOJZFRZLHQOFS-AWEZNQCLSA-N	1	0	364.291	1.932	20	30		FDEDRO
Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@H](N2CCOC2=O)C1	ZINC000853540802	968097297	/nfs/dbraw/zinc/09/72/97/968097297.db2.gz	NYERFFPCUNEARB-INIZCTEOSA-N	1	0	352.398	1.609	20	30		FDEDRO
C[C@]12COC[C@@H]1C[N@H+](CN1CC(=O)N(Cc3ccccc3C#N)C1=O)C2	ZINC000853567666	968131163	/nfs/dbraw/zinc/13/11/63/968131163.db2.gz	WHQYAOJRZBZQLP-LPHOPBHVSA-N	1	0	354.410	1.248	20	30		FDEDRO
CCN(CN1C(=O)N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O)[C@@H](C)C#N	ZINC000853578173	968138637	/nfs/dbraw/zinc/13/86/37/968138637.db2.gz	LDEMXWNUMXOKKB-OXJNMPFZSA-N	1	0	369.469	1.764	20	30		FDEDRO
COCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC001190953823	968224426	/nfs/dbraw/zinc/22/44/26/968224426.db2.gz	QGKHGXRZNFUDOK-UHFFFAOYSA-N	1	0	371.890	1.943	20	30		FDEDRO
CC(C)(O)C#Cc1ccc(C(=O)n2ccc([C@@H]3CCC[NH2+]3)nc2=N)cc1	ZINC001191168602	968310911	/nfs/dbraw/zinc/31/09/11/968310911.db2.gz	WNYGQUIAFZLRFC-INIZCTEOSA-N	1	0	350.422	1.598	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1	ZINC001191320400	968446058	/nfs/dbraw/zinc/44/60/58/968446058.db2.gz	RPQIYRKPFSOLLT-SFHVURJKSA-N	1	0	358.442	1.984	20	30		FDEDRO
N#Cc1cc(C(=O)N(Cc2ncn3c2C[NH2+]CCC3)c2ncccn2)ccn1	ZINC001191546993	968603992	/nfs/dbraw/zinc/60/39/92/968603992.db2.gz	GCGLATSVYUENEE-UHFFFAOYSA-N	1	0	374.408	1.280	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)cc1	ZINC000854113686	968607224	/nfs/dbraw/zinc/60/72/24/968607224.db2.gz	QYUIGIMVQXRIFM-IBGZPJMESA-N	1	0	359.470	1.951	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccc3ccccc3c2)C[C@H]1O	ZINC001191724748	968714638	/nfs/dbraw/zinc/71/46/38/968714638.db2.gz	OZOMCBNTLACDDX-NJDAHSKKSA-N	1	0	368.477	1.871	20	30		FDEDRO
CCCOc1ccc(OCCN2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)cc1	ZINC001191880950	968831496	/nfs/dbraw/zinc/83/14/96/968831496.db2.gz	DGHCGHUHQODSQK-BMGDILEWSA-N	1	0	361.442	1.175	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1O	ZINC001192054715	968933151	/nfs/dbraw/zinc/93/31/51/968933151.db2.gz	ZCZUANLKNANHJO-IAGOWNOFSA-N	1	0	352.500	1.825	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)C[C@H]1O	ZINC001192054734	968933182	/nfs/dbraw/zinc/93/31/82/968933182.db2.gz	ZHSWJAIXHWPOJI-WOJBJXKFSA-N	1	0	369.465	1.879	20	30		FDEDRO
N#Cc1ccc(C(=O)N(c2ncccc2F)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)o1	ZINC001192676682	969226762	/nfs/dbraw/zinc/22/67/62/969226762.db2.gz	VGIINYWACHZUCR-XIKOKIGWSA-N	1	0	356.357	1.853	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1C[N@H+](CCCOCCc2ccccc2)C[C@H]1O	ZINC001192804952	969308844	/nfs/dbraw/zinc/30/88/44/969308844.db2.gz	MFTDJJPPIZNHRQ-WOJBJXKFSA-N	1	0	358.482	1.457	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)CC1	ZINC000775548591	969317616	/nfs/dbraw/zinc/31/76/16/969317616.db2.gz	GDVCCZZOCLUXEG-SFHVURJKSA-N	1	0	354.498	1.715	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N[C@@H]2C[N@H+](CCC[C@@H](C)O)C[C@H]2O)cc1	ZINC001192899132	969353609	/nfs/dbraw/zinc/35/36/09/969353609.db2.gz	IUWJCYMYWOKOMP-ATZDWAIDSA-N	1	0	360.454	1.025	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)C2CCCC2)C1	ZINC001193166037	969523017	/nfs/dbraw/zinc/52/30/17/969523017.db2.gz	ILSWRDXJKTVVFJ-KBAYOESNSA-N	1	0	365.518	1.589	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1CN([C@@H](C)C(=O)NC(CC)CC)C[C@H]1O	ZINC001193240903	969569712	/nfs/dbraw/zinc/56/97/12/969569712.db2.gz	MMRKMPVIXAJIQC-BMGDILEWSA-N	1	0	365.518	1.609	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCNC(=O)C2CC2)C1	ZINC001193499180	969717393	/nfs/dbraw/zinc/71/73/93/969717393.db2.gz	HTAKBZUICSWNOM-IAGOWNOFSA-N	1	0	353.507	1.425	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(COC)CCOCC2)C1	ZINC001193577001	969745252	/nfs/dbraw/zinc/74/52/52/969745252.db2.gz	JJFUMMHXFWGJHJ-IAGOWNOFSA-N	1	0	356.507	1.561	20	30		FDEDRO
C[NH+](C)C1(C)CN(C(=O)c2cc(I)ccc2C#N)C1	ZINC001193579967	969746874	/nfs/dbraw/zinc/74/68/74/969746874.db2.gz	AZQWMVDITNMHND-UHFFFAOYSA-N	1	0	369.206	1.939	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(C(=O)c3cccc(C#N)c3[O-])CC[C@@H]2C1	ZINC001193644012	969783791	/nfs/dbraw/zinc/78/37/91/969783791.db2.gz	LJBYMBYPXCKTLZ-NVXWUHKLSA-N	1	0	359.426	1.073	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCCCCCCCC)C1	ZINC001193828060	969885157	/nfs/dbraw/zinc/88/51/57/969885157.db2.gz	JCFCZWUKEBBTME-QZTJIDSGSA-N	1	0	356.507	1.727	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1	ZINC001193849527	969895583	/nfs/dbraw/zinc/89/55/83/969895583.db2.gz	KBCNJOYCESJBBF-WTGUMLROSA-N	1	0	374.481	1.518	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc3ncn(C)c32)C1	ZINC001193875029	969901967	/nfs/dbraw/zinc/90/19/67/969901967.db2.gz	AHCLBDBMWVSYJR-IAGOWNOFSA-N	1	0	357.458	1.490	20	30		FDEDRO
C=CC[N@@H+](C)CCN(CC)[C@@H](C)C(=O)N1CCC[C@@H](C(=O)OCC)C1	ZINC001193914173	969922378	/nfs/dbraw/zinc/92/23/78/969922378.db2.gz	QRSZRXGQKFSJDG-DLBZAZTESA-N	1	0	353.507	1.616	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCc2nccn2C)C1	ZINC001193986689	969946791	/nfs/dbraw/zinc/94/67/91/969946791.db2.gz	FYGLVAUEQSFXQF-HZPDHXFCSA-N	1	0	352.479	1.068	20	30		FDEDRO
N#Cc1cncc(C(=O)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1	ZINC001194105745	970020843	/nfs/dbraw/zinc/02/08/43/970020843.db2.gz	XDMRSNUEVZYTPK-UHFFFAOYSA-N	1	0	350.426	1.444	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(CC(F)F)n1)C2	ZINC001110696705	970133087	/nfs/dbraw/zinc/13/30/87/970133087.db2.gz	FRRADRABBKUGFL-YUELXQCFSA-N	1	0	354.401	1.686	20	30		FDEDRO
COC[C@H]1CCC[N@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C1	ZINC000112960685	970134677	/nfs/dbraw/zinc/13/46/77/970134677.db2.gz	RARNAJUFQBEJDC-HNNXBMFYSA-N	1	0	356.426	1.638	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)Nc2ccc(OC)cc2)C1	ZINC001194491867	970215941	/nfs/dbraw/zinc/21/59/41/970215941.db2.gz	BUIDPLRLUCPYPJ-KBRIMQKVSA-N	1	0	361.442	1.150	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(C(C)=O)C2)C1	ZINC001194508170	970225252	/nfs/dbraw/zinc/22/52/52/970225252.db2.gz	NKMVOPYJKLRRTQ-RCCFBDPRSA-N	1	0	353.507	1.377	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1	ZINC000855287803	970272540	/nfs/dbraw/zinc/27/25/40/970272540.db2.gz	VCXVHNHYMBAURG-HNNXBMFYSA-N	1	0	363.483	1.201	20	30		FDEDRO
N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(F)ccc1I	ZINC000834495589	970524604	/nfs/dbraw/zinc/52/46/04/970524604.db2.gz	WNPOJZWHMVLINP-CPCISQLKSA-N	1	0	359.142	1.272	20	30		FDEDRO
CC[C@H](CC#N)[NH2+]C[C@@H](O)COc1cn(-c2ccccc2)nc1C(=O)OC	ZINC001194940805	970538599	/nfs/dbraw/zinc/53/85/99/970538599.db2.gz	AONITLZBGPUCIM-GDBMZVCRSA-N	1	0	372.425	1.680	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOc1ccc(C)cc1	ZINC001110466583	970722826	/nfs/dbraw/zinc/72/28/26/970722826.db2.gz	TYFYTMLWIWTOMQ-QRQLOZEOSA-N	1	0	369.465	1.235	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCNC(=O)C(C)(C)C)C1	ZINC001195157655	970738982	/nfs/dbraw/zinc/73/89/82/970738982.db2.gz	IGMJJZCUXCUFCS-BZUAXINKSA-N	1	0	353.507	1.445	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC(=O)NC(C)C)C1	ZINC001197919672	972548156	/nfs/dbraw/zinc/54/81/56/972548156.db2.gz	MCSGSIWTHGJOQM-IAGOWNOFSA-N	1	0	353.507	1.589	20	30		FDEDRO
CCOc1cc(C=NNC(=S)NCCC[NH+](C)C)c(F)cc1OC	ZINC000863092722	972664840	/nfs/dbraw/zinc/66/48/40/972664840.db2.gz	HWKVPGSLVUELBA-UHFFFAOYSA-N	1	0	356.467	1.983	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](Cc2ccccc2)C(=O)OC)CC1	ZINC000794430566	972721173	/nfs/dbraw/zinc/72/11/73/972721173.db2.gz	CJGAFWNISNRCBC-VQIMIIECSA-N	1	0	356.466	1.868	20	30		FDEDRO
CCCCCCCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1O	ZINC001198069425	972762054	/nfs/dbraw/zinc/76/20/54/972762054.db2.gz	ZKMXTLFNRZHWIW-RCCFBDPRSA-N	1	0	366.506	1.156	20	30		FDEDRO
C[C@@H]1CCC[C@@H](C)[NH+]1CC(N)=NOCC(=O)NCc1ccc(C#N)cc1	ZINC000794525522	972903294	/nfs/dbraw/zinc/90/32/94/972903294.db2.gz	DVCNEJMKKCBPQZ-HUUCEWRRSA-N	1	0	357.458	1.936	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@@H](O)COc2ccccc2C#N)C1	ZINC000863553555	973011368	/nfs/dbraw/zinc/01/13/68/973011368.db2.gz	DWSCLHIHAHIXLP-MRXNPFEDSA-N	1	0	361.442	1.754	20	30		FDEDRO
C[NH+]1CCN(CCCS(=O)(=O)Oc2cc(Cl)cc(C#N)c2)CC1	ZINC000867272737	973185930	/nfs/dbraw/zinc/18/59/30/973185930.db2.gz	KTBBSPTZFHEVSI-UHFFFAOYSA-N	1	0	357.863	1.558	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N	ZINC000794577447	973294558	/nfs/dbraw/zinc/29/45/58/973294558.db2.gz	RAMRDOISNQMHBW-RBSFLKMASA-N	1	0	363.421	1.728	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCc2nc(CC)no2)C1	ZINC001198644518	973347901	/nfs/dbraw/zinc/34/79/01/973347901.db2.gz	CHRKAVOZRMVXMX-RBSFLKMASA-N	1	0	350.463	1.471	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)nc3cc(C)nn32)C1	ZINC001198753307	973482250	/nfs/dbraw/zinc/48/22/50/973482250.db2.gz	IGFLILQOLIZOFV-BFYDXBDKSA-N	1	0	357.458	1.476	20	30		FDEDRO
C#CCN(CC(=O)NCCCN1CCCC1=O)[C@@H]1CCc2ccccc21	ZINC000104674270	973496025	/nfs/dbraw/zinc/49/60/25/973496025.db2.gz	AWQJIHHGFBHFJR-LJQANCHMSA-N	1	0	353.466	1.738	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C(=O)NC)c2)C1	ZINC001198834582	973529507	/nfs/dbraw/zinc/52/95/07/973529507.db2.gz	KNUVJKMBBQCKAZ-QZTJIDSGSA-N	1	0	361.486	1.792	20	30		FDEDRO
C=C[C@H](CC(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1O)c1ccccc1	ZINC001198918088	973682334	/nfs/dbraw/zinc/68/23/34/973682334.db2.gz	RIVGFGKNBDJMRA-MISYRCLQSA-N	1	0	368.481	1.484	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN(C(C)=O)c2ccccc2)C1	ZINC001198904745	973723715	/nfs/dbraw/zinc/72/37/15/973723715.db2.gz	LZYQXOIGOWHGOZ-ATZDWAIDSA-N	1	0	359.470	1.556	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)CCC)C1	ZINC001198955988	973739885	/nfs/dbraw/zinc/73/98/85/973739885.db2.gz	NUQDPUORWWVHML-FGTMMUONSA-N	1	0	365.518	1.685	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nnc(C)n3C2)C1	ZINC001198974984	973766229	/nfs/dbraw/zinc/76/62/29/973766229.db2.gz	IOISSVDDDSDHCQ-GVDBMIGSSA-N	1	0	363.506	1.281	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@H]2O)CCCCC1	ZINC001198944569	973782671	/nfs/dbraw/zinc/78/26/71/973782671.db2.gz	JBXCIKCLDVJHHM-QZTJIDSGSA-N	1	0	360.502	1.651	20	30		FDEDRO
CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC#Cc2ccccc2)C1)C1CCC1	ZINC001198944894	973784960	/nfs/dbraw/zinc/78/49/60/973784960.db2.gz	PTSFAIKTLUWFSA-AQNXPRMDSA-N	1	0	356.466	1.405	20	30		FDEDRO
C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2coc(C3CCCCC3)n2)C1	ZINC001199262364	974097067	/nfs/dbraw/zinc/09/70/67/974097067.db2.gz	ZXHQEZNJAMSERW-NVXWUHKLSA-N	1	0	363.458	1.700	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](C[C@H](OCC)C3CC3)C[C@H]2O)CCCCC1	ZINC001199277882	974159899	/nfs/dbraw/zinc/15/98/99/974159899.db2.gz	FOIIPAUZJMSMPY-QRVBRYPASA-N	1	0	362.514	1.937	20	30		FDEDRO
C=C(Cl)C[C@@H]1NC(=O)N(Cc2ccnc(OCC[NH+](C)C)c2)C1=O	ZINC000865307693	974225144	/nfs/dbraw/zinc/22/51/44/974225144.db2.gz	TZGZKXSRHXGWNX-ZDUSSCGKSA-N	1	0	352.822	1.585	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH2+]CCNS(=O)(=O)c2cccnc2)cc1	ZINC000120517189	974252413	/nfs/dbraw/zinc/25/24/13/974252413.db2.gz	HZGCZLIDBCBNMC-UHFFFAOYSA-N	1	0	373.482	1.500	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COc2ccc(F)c(F)c2)C1	ZINC001199498171	974304392	/nfs/dbraw/zinc/30/43/92/974304392.db2.gz	LLFUJTGZHCIJPZ-JCURWCKSSA-N	1	0	354.397	1.860	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(C)(F)F)cc2)C1	ZINC001199590501	974394208	/nfs/dbraw/zinc/39/42/08/974394208.db2.gz	ITGANERICPBLJN-HZPDHXFCSA-N	1	0	354.397	1.776	20	30		FDEDRO
N#Cc1cc(C(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)co1	ZINC000865671471	974414305	/nfs/dbraw/zinc/41/43/05/974414305.db2.gz	CTCZWLAYFBGALD-UHFFFAOYSA-N	1	0	366.421	1.907	20	30		FDEDRO
C#CCOc1cccc(Cl)c1C[NH2+]C[C@@]12COC(=O)N1CCOC2	ZINC000865769554	974474012	/nfs/dbraw/zinc/47/40/12/974474012.db2.gz	LBWZSJWEQADPHG-QGZVFWFLSA-N	1	0	350.802	1.663	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CC2(C(=O)OCC)CCOCC2)CC1	ZINC000866014560	974623048	/nfs/dbraw/zinc/62/30/48/974623048.db2.gz	ABUQLKAFFOJYFG-UHFFFAOYSA-N	1	0	350.459	1.340	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc2nonc2c1	ZINC001110552413	974757588	/nfs/dbraw/zinc/75/75/88/974757588.db2.gz	YFVASZWKXIXVPW-FOZNTRSISA-N	1	0	354.410	1.483	20	30		FDEDRO
COCC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCO[C@H]2C(C)C)CCCO1	ZINC001200537386	974812605	/nfs/dbraw/zinc/81/26/05/974812605.db2.gz	OMQXIRMEEMFSNE-FHWLQOOXSA-N	1	0	366.502	1.295	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C1CCN(C(=O)C[C@@H]2C[C@H]2c2ccccc2)CC1	ZINC001200599320	974822601	/nfs/dbraw/zinc/82/26/01/974822601.db2.gz	QFSOGMMUUIQPJS-HKUYNNGSSA-N	1	0	353.466	1.510	20	30		FDEDRO
CC1(C)[C@H](C(=O)N2CCC([NH2+]CC(=O)NCC#N)CC2)[C@H]1c1ccccc1	ZINC001200614049	974835297	/nfs/dbraw/zinc/83/52/97/974835297.db2.gz	FOADQUWBTPUXPS-MOPGFXCFSA-N	1	0	368.481	1.647	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)CCCO1	ZINC001200721432	974882422	/nfs/dbraw/zinc/88/24/22/974882422.db2.gz	LOONGEASQRDKQN-KURKYZTESA-N	1	0	363.502	1.561	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCS(=O)(=O)NC)C2	ZINC001110557425	974920068	/nfs/dbraw/zinc/92/00/68/974920068.db2.gz	PYGMLMVWTCFBRW-OAGGEKHMSA-N	1	0	359.536	1.618	20	30		FDEDRO
CCNS(=O)(=O)CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000776163122	975026338	/nfs/dbraw/zinc/02/63/38/975026338.db2.gz	DQJKUXCIDBKZCZ-UHFFFAOYSA-N	1	0	350.488	1.052	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCC(F)(F)F)C1	ZINC001201437262	975060342	/nfs/dbraw/zinc/06/03/42/975060342.db2.gz	ABTPZJMIZARAAH-MCIONIFRSA-N	1	0	350.381	1.737	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCOCC(C)C)C1	ZINC001201437913	975060563	/nfs/dbraw/zinc/06/05/63/975060563.db2.gz	IKUSRCTXYAYFSV-KURKYZTESA-N	1	0	354.491	1.457	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCOCCCC)C1	ZINC001201622651	975100869	/nfs/dbraw/zinc/10/08/69/975100869.db2.gz	XBOLLHKLKBWETR-FHWLQOOXSA-N	1	0	368.518	1.991	20	30		FDEDRO
C#C[C@H](NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)[C@@H]1CCCO1	ZINC000776225697	975193508	/nfs/dbraw/zinc/19/35/08/975193508.db2.gz	QMUQKWGLJIFTTN-HAGHYFMRSA-N	1	0	371.481	1.349	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Cc2c(C)[nH]c3nn(C)c(=O)c-3c2C)CC1	ZINC000106918562	975748781	/nfs/dbraw/zinc/74/87/81/975748781.db2.gz	KIYVBHCBWFBBFE-UHFFFAOYSA-N	1	0	371.485	1.578	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)N2CCCN(C[C@H]3CCCO3)CC2)c1	ZINC000866645638	975863695	/nfs/dbraw/zinc/86/36/95/975863695.db2.gz	NRGNRIYMYFXTNX-MRXNPFEDSA-N	1	0	367.446	1.573	20	30		FDEDRO
CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2ccccc2CC#N)cc1	ZINC000866757162	976000055	/nfs/dbraw/zinc/00/00/55/976000055.db2.gz	LBIOBIGAEBKXJP-KRWDZBQOSA-N	1	0	358.467	1.797	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C(F)(F)F)n(C)n1)C2	ZINC001110594402	976076280	/nfs/dbraw/zinc/07/62/80/976076280.db2.gz	UIFLHXWZLIMBTK-BZPMIXESSA-N	1	0	372.391	1.977	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cnc(C)c(C#N)c1	ZINC000867581531	976419941	/nfs/dbraw/zinc/41/99/41/976419941.db2.gz	NXTXCJQPHMFYJK-UHFFFAOYSA-N	1	0	366.487	1.241	20	30		FDEDRO
C=C(Cl)C[C@@H](NS(=O)(=O)CCC[NH+]1CCCC1)C(=O)OCC	ZINC000867588661	976442614	/nfs/dbraw/zinc/44/26/14/976442614.db2.gz	HLONOHJBOKLXKE-CYBMUJFWSA-N	1	0	352.884	1.466	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2	ZINC000848402259	976719739	/nfs/dbraw/zinc/71/97/39/976719739.db2.gz	ZKCKJDMXSIOACZ-KBPBESRZSA-N	1	0	367.833	1.672	20	30		FDEDRO
COC(=O)CC[NH+]1CCC(N=Nc2ncc(Br)cn2)CC1	ZINC000848421453	976724936	/nfs/dbraw/zinc/72/49/36/976724936.db2.gz	WSJRPGWCNAECGL-UHFFFAOYSA-N	1	0	356.224	1.666	20	30		FDEDRO
N#CCCn1cc(C[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)c(-c2ccncc2)n1	ZINC000848577709	976906494	/nfs/dbraw/zinc/90/64/94/976906494.db2.gz	PZOXUNUABSKUKT-KRWDZBQOSA-N	1	0	366.425	1.932	20	30		FDEDRO
C[NH+]1CCN(C2CCN(S(=O)(=O)c3ccsc3C#N)CC2)CC1	ZINC000867817110	976931317	/nfs/dbraw/zinc/93/13/17/976931317.db2.gz	UNYCYEKUMPSVBQ-UHFFFAOYSA-N	1	0	354.501	1.020	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@@H]1CCCN(c2ncccn2)C1	ZINC000867941074	977120254	/nfs/dbraw/zinc/12/02/54/977120254.db2.gz	BNFSPCPECAWZIO-AEFFLSMTSA-N	1	0	362.437	1.320	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCCNC(=O)c1ccc(F)cc1	ZINC000867943212	977122064	/nfs/dbraw/zinc/12/20/64/977122064.db2.gz	PAKJAHMUGYWFSH-SFHVURJKSA-N	1	0	366.396	1.430	20	30		FDEDRO
COc1ccc(OCCNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)cc1	ZINC000867949183	977129920	/nfs/dbraw/zinc/12/99/20/977129920.db2.gz	QJPCKLFMXHKNHX-IBGZPJMESA-N	1	0	351.406	1.949	20	30		FDEDRO
CC[C@@H]1CN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)[C@H](CC)CN1C(C)=O	ZINC000867950565	977131457	/nfs/dbraw/zinc/13/14/57/977131457.db2.gz	DQLVGXWLBSGGLN-QWFCFKBJSA-N	1	0	368.481	1.993	20	30		FDEDRO
C[C@@H](N1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1)C(F)(F)F	ZINC000867958431	977141740	/nfs/dbraw/zinc/14/17/40/977141740.db2.gz	RHEMXIAVIABBJP-WBMJQRKESA-N	1	0	366.387	1.840	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCCC[C@H]1CN1CCOCC1	ZINC000867961961	977144263	/nfs/dbraw/zinc/14/42/63/977144263.db2.gz	ISLBZCJDVFFISR-ICSRJNTNSA-N	1	0	368.481	1.458	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCCC[C@@H]1CN1CCOCC1	ZINC000867961963	977144707	/nfs/dbraw/zinc/14/47/07/977144707.db2.gz	ISLBZCJDVFFISR-UYAOXDASSA-N	1	0	368.481	1.458	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1cc([N+](=O)[O-])ccc1Cl	ZINC000848995753	977286657	/nfs/dbraw/zinc/28/66/57/977286657.db2.gz	MPAMIWQPIJEJQA-UHFFFAOYSA-N	1	0	355.826	1.245	20	30		FDEDRO
CCN1CC[NH+](CCCCNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1	ZINC000868101900	977287154	/nfs/dbraw/zinc/28/71/54/977287154.db2.gz	BJCRENOMPVFYQM-FQEVSTJZSA-N	1	0	369.513	1.742	20	30		FDEDRO
CC(C)(C)OC(=O)CCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000849077781	977305520	/nfs/dbraw/zinc/30/55/20/977305520.db2.gz	MXKAWAOEGBCYKM-ZDUSSCGKSA-N	1	0	368.478	1.599	20	30		FDEDRO
C[NH+]=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)NCCN1CCOCC1	ZINC000849081435	977307046	/nfs/dbraw/zinc/30/70/46/977307046.db2.gz	YLFZFHMAICEURW-UHFFFAOYSA-N	1	0	374.445	1.116	20	30		FDEDRO
CCCC[NH+]=C(NCc1ccc(C)cc1)NC[C@@]1(O)CCS(=O)(=O)C1	ZINC000849110121	977320586	/nfs/dbraw/zinc/32/05/86/977320586.db2.gz	SUOKDMVFCGHNEL-SFHVURJKSA-N	1	0	367.515	1.380	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCCC3(O)CCC3)=[NH+]C[C@H]2C1	ZINC000849118098	977330612	/nfs/dbraw/zinc/33/06/12/977330612.db2.gz	JDAVMCDJZCKPLO-AWEZNQCLSA-N	1	0	352.479	1.562	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC[C@@H]21	ZINC000868200096	977343403	/nfs/dbraw/zinc/34/34/03/977343403.db2.gz	DJBPKAGGCRYKCI-WMZOPIPTSA-N	1	0	368.485	1.658	20	30		FDEDRO
N#Cc1cccc([C@H](NC(=O)N2CCCO[C@@H](C[NH3+])C2)C(F)(F)F)c1	ZINC000868210886	977347080	/nfs/dbraw/zinc/34/70/80/977347080.db2.gz	RDFYARDSZPYTKR-KBPBESRZSA-N	1	0	356.348	1.921	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1C#N	ZINC000868249686	977392637	/nfs/dbraw/zinc/39/26/37/977392637.db2.gz	UPAJATLTWLPCSG-UHFFFAOYSA-N	1	0	356.426	1.498	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2ccc(C#N)cc2)CC1	ZINC000868281906	977440884	/nfs/dbraw/zinc/44/08/84/977440884.db2.gz	WIRQFPIPUZKGDJ-IBGZPJMESA-N	1	0	371.485	1.501	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc1	ZINC000868311443	977490103	/nfs/dbraw/zinc/49/01/03/977490103.db2.gz	UFVVBEZYAHXOET-FQEVSTJZSA-N	1	0	357.454	1.861	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)cc1	ZINC000108605324	977603416	/nfs/dbraw/zinc/60/34/16/977603416.db2.gz	LEBHDPHRXGSVCU-UHFFFAOYSA-N	1	0	357.454	1.875	20	30		FDEDRO
CC(C)C[C@H](NC(=O)[C@]1(C#N)CCCOC1)C(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000868545120	977758476	/nfs/dbraw/zinc/75/84/76/977758476.db2.gz	MKUGAMHYVHMHKG-GJYPPUQNSA-N	1	0	364.490	1.000	20	30		FDEDRO
Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2ccc(C#N)c(F)c2)cn1	ZINC000849599871	977821481	/nfs/dbraw/zinc/82/14/81/977821481.db2.gz	DGUQRJGABAMHLG-IRXDYDNUSA-N	1	0	355.417	1.783	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCC(NC(=O)c2ccc(C)cc2)CC1	ZINC000868652840	977870090	/nfs/dbraw/zinc/87/00/90/977870090.db2.gz	KWXNYWIOEGJLGN-UHFFFAOYSA-N	1	0	370.497	1.854	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000645497671	1014448814	/nfs/dbraw/zinc/44/88/14/1014448814.db2.gz	HUFYWHOWXVTQIS-QGZVFWFLSA-N	1	0	359.470	1.733	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN(C)S(C)(=O)=O)C2	ZINC001110621682	978395845	/nfs/dbraw/zinc/39/58/45/978395845.db2.gz	OSRQUAIYKFMNFJ-OAGGEKHMSA-N	1	0	359.536	1.570	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C	ZINC000850508635	978410100	/nfs/dbraw/zinc/41/01/00/978410100.db2.gz	VJELNMLVWZWZBX-AWEZNQCLSA-N	1	0	361.417	1.765	20	30		FDEDRO
C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@@](C)(C#N)C1	ZINC000850609406	978482834	/nfs/dbraw/zinc/48/28/34/978482834.db2.gz	YEZFHCVGNDZCSO-FQEVSTJZSA-N	1	0	356.470	1.381	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(OCC(N)=O)c1)C2	ZINC001110622951	978500464	/nfs/dbraw/zinc/50/04/64/978500464.db2.gz	YHRIOTAPEVORMH-NXHRZFHOSA-N	1	0	373.453	1.088	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1	ZINC000850805547	978677990	/nfs/dbraw/zinc/67/79/90/978677990.db2.gz	OXEGBHDADXRHJP-ZDUSSCGKSA-N	1	0	368.231	1.311	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1	ZINC000850831563	978688841	/nfs/dbraw/zinc/68/88/41/978688841.db2.gz	YGIMHOWADAMJGW-QGZVFWFLSA-N	1	0	369.465	1.875	20	30		FDEDRO
C#C[C@H](NC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1)[C@@H]1CCCO1	ZINC000851659009	978987271	/nfs/dbraw/zinc/98/72/71/978987271.db2.gz	KSFCGKARCSJQBZ-VJANTYMQSA-N	1	0	357.454	1.621	20	30		FDEDRO
COc1cccc2c1CC[C@@]2(CO)[NH2+]C[C@H](O)COc1ccccc1C#N	ZINC000880382180	979145943	/nfs/dbraw/zinc/14/59/43/979145943.db2.gz	MAYWJKVRMNUJHY-KKSFZXQISA-N	1	0	368.433	1.730	20	30		FDEDRO
C#CCC1(O)CC[NH+]([C@H](C)C(=O)N(C)C[C@H]2COc3ccccc3O2)CC1	ZINC000880478560	979219274	/nfs/dbraw/zinc/21/92/74/979219274.db2.gz	BKPFWDQDFUUELW-SJORKVTESA-N	1	0	372.465	1.524	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(CC(=O)NCCC#N)C2)O1	ZINC000880501378	979252323	/nfs/dbraw/zinc/25/23/23/979252323.db2.gz	LGWGHBSFXREFRH-XLIONFOSSA-N	1	0	356.470	1.382	20	30		FDEDRO
C#C[C@](C)(CC)[NH2+]CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1	ZINC000852098581	979350164	/nfs/dbraw/zinc/35/01/64/979350164.db2.gz	QLWFQLCRYPCRSR-HXUWFJFHSA-N	1	0	374.460	1.300	20	30		FDEDRO
N#CCOc1cccc(CC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)c1	ZINC000881475451	979969068	/nfs/dbraw/zinc/96/90/68/979969068.db2.gz	WXZXGPHJJUWMQG-SFHVURJKSA-N	1	0	357.454	1.891	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(c3ncc(C#N)cc3Br)CC2)C1	ZINC000881984927	980346353	/nfs/dbraw/zinc/34/63/53/980346353.db2.gz	FHZRGFIVWHMPMN-AWEZNQCLSA-N	1	0	364.291	1.932	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)cc1	ZINC000882632157	980768553	/nfs/dbraw/zinc/76/85/53/980768553.db2.gz	OGAIICZANQPULU-IBGZPJMESA-N	1	0	371.481	1.225	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000882662636	980801909	/nfs/dbraw/zinc/80/19/09/980801909.db2.gz	KBCOKSVDISEHFT-OAHLLOKOSA-N	1	0	365.503	1.007	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COC	ZINC001110727641	981675413	/nfs/dbraw/zinc/67/54/13/981675413.db2.gz	RCYNIAOOPQBQQJ-ATLSCFEFSA-N	1	0	360.454	1.594	20	30		FDEDRO
N#Cc1cc2cccnc2nc1N1CCC(C(N)=O)([NH+]2CCCCC2)CC1	ZINC000882813185	981704144	/nfs/dbraw/zinc/70/41/44/981704144.db2.gz	HNGXCENRJRQBEX-UHFFFAOYSA-N	1	0	364.453	1.812	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)cc1	ZINC000858222418	981924577	/nfs/dbraw/zinc/92/45/77/981924577.db2.gz	PNHUWGRXSCXOPF-UZLBHIALSA-N	1	0	359.470	1.683	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000858275363	981955043	/nfs/dbraw/zinc/95/50/43/981955043.db2.gz	GSOPJUKHBXHGQQ-PMACEKPBSA-N	1	0	372.513	1.703	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCC3(CCOCC3)CO2)CC1	ZINC000883343144	982086419	/nfs/dbraw/zinc/08/64/19/982086419.db2.gz	AVCZQIOQVPDJMN-QGZVFWFLSA-N	1	0	351.491	1.912	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2ccc(N3CCNC3=O)cc2)CC1	ZINC000883343547	982086880	/nfs/dbraw/zinc/08/68/80/982086880.db2.gz	QXJPVFSWQWJFPE-UHFFFAOYSA-N	1	0	357.458	1.666	20	30		FDEDRO
COc1ccc([C@H]2C[NH2+]CCN2C(=O)Nc2ccn(CCC#N)n2)cc1	ZINC000883541462	982256136	/nfs/dbraw/zinc/25/61/36/982256136.db2.gz	IHQWOMGYMARCAA-MRXNPFEDSA-N	1	0	354.414	1.984	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)/C=C/c1ccc(S(C)(=O)=O)o1	ZINC000858775370	982284867	/nfs/dbraw/zinc/28/48/67/982284867.db2.gz	CRXNAKUGLOFVRV-SOFGYWHQSA-N	1	0	353.444	1.390	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCOC[C@H]1CCCO1)C2	ZINC001110759783	982355856	/nfs/dbraw/zinc/35/58/56/982355856.db2.gz	NULQVXSWTKTTJB-TVFCKZIOSA-N	1	0	352.475	1.496	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1	ZINC000859028115	982466450	/nfs/dbraw/zinc/46/64/50/982466450.db2.gz	QFCOGTLUHIYIDW-GOSISDBHSA-N	1	0	359.470	1.951	20	30		FDEDRO
C=C(C)C[C@H](CO)NC(=O)NC[C@@H]1CN(Cc2ccc(C)cc2)CCO1	ZINC000883803878	982480842	/nfs/dbraw/zinc/48/08/42/982480842.db2.gz	QPSXUADBWBFDAB-RTBURBONSA-N	1	0	361.486	1.822	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)C(=O)NCC(C)C)CC1	ZINC001202559787	982557970	/nfs/dbraw/zinc/55/79/70/982557970.db2.gz	ODTNSPNGGJBTTR-OIISXLGYSA-N	1	0	351.491	1.319	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH+]2CCC(OC[C@H]3CCCO3)CC2)CCOCC1	ZINC000859158268	982583523	/nfs/dbraw/zinc/58/35/23/982583523.db2.gz	CEWYIIFZILIPNR-FUHWJXTLSA-N	1	0	352.475	1.718	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@@H](F)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000859257061	982652310	/nfs/dbraw/zinc/65/23/10/982652310.db2.gz	RRUJBHAMMCEIHU-KBPBESRZSA-N	1	0	368.453	1.686	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NCc2cc(OC)c(OC)c(OC)c2)C1	ZINC000884025468	982711785	/nfs/dbraw/zinc/71/17/85/982711785.db2.gz	XGFRQFSSNPZSBT-HNNXBMFYSA-N	1	0	361.442	1.609	20	30		FDEDRO
COc1cc2c(cc1OC)CN(C(=O)C1CC3(C1)C[NH2+]C[C@H]3C#N)CC2	ZINC000884051164	982766237	/nfs/dbraw/zinc/76/62/37/982766237.db2.gz	XMEGLPUMRQIGGP-LFDOHDQPSA-N	1	0	355.438	1.728	20	30		FDEDRO
CCN(CC)C(=O)c1ccc(CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc1	ZINC000884073804	982822736	/nfs/dbraw/zinc/82/27/36/982822736.db2.gz	VHNJSHWGFUYSKH-WBTXTPOCSA-N	1	0	368.481	1.924	20	30		FDEDRO
C[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccc2c(c1)CCC(=O)N2	ZINC000884088388	982848317	/nfs/dbraw/zinc/84/83/17/982848317.db2.gz	IOGXLHJNIPQOFG-SUNNNVNVSA-N	1	0	352.438	1.888	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCNC(=O)C[C@H]1c1ccccc1)C2	ZINC000884094911	982858926	/nfs/dbraw/zinc/85/89/26/982858926.db2.gz	XXXMBVWLVFBBKR-RXCRORICSA-N	1	0	352.438	1.216	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000884106184	982873839	/nfs/dbraw/zinc/87/38/39/982873839.db2.gz	JIOVHLPYBQAGRK-INIZCTEOSA-N	1	0	364.490	1.783	20	30		FDEDRO
C[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccc(N2CCOC2=O)cc1	ZINC000884109011	982879558	/nfs/dbraw/zinc/87/95/58/982879558.db2.gz	SEKGTBSZAUTNSV-MGIDEDSVSA-N	1	0	368.437	1.960	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)NCCCc2nnc3n2CCCCC3)C1	ZINC000884127325	982908589	/nfs/dbraw/zinc/90/85/89/982908589.db2.gz	AYHXEJMKLORILT-MRXNPFEDSA-N	1	0	358.490	1.334	20	30		FDEDRO
Cc1ccc(CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c(O[C@@H]2CCOC2)c1	ZINC000884164076	982940951	/nfs/dbraw/zinc/94/09/51/982940951.db2.gz	XMXGUGIABTTXIB-UISNHOIMSA-N	1	0	369.465	1.918	20	30		FDEDRO
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884181183	982954344	/nfs/dbraw/zinc/95/43/44/982954344.db2.gz	XUGIEASTTHZRDB-WBTXTPOCSA-N	1	0	368.481	1.621	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccnc(N3CCCCC3)c1)C2	ZINC000884183423	982959588	/nfs/dbraw/zinc/95/95/88/982959588.db2.gz	MRIARUUYBZASEG-OHTSDLOESA-N	1	0	353.470	1.827	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCCNc1ccc(C(F)(F)F)cn1)C2	ZINC000884184974	982960324	/nfs/dbraw/zinc/96/03/24/982960324.db2.gz	GPCMKIXEZOUSQS-ULKWEWGCSA-N	1	0	367.375	1.768	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCN(c3ccc(Cl)cn3)CC1)C2	ZINC000884187685	982964231	/nfs/dbraw/zinc/96/42/31/982964231.db2.gz	MEMYUWFXIQVSPY-TXKKKEFDSA-N	1	0	359.861	1.523	20	30		FDEDRO
C[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)N1CCc2sccc2C1	ZINC000884193780	982969380	/nfs/dbraw/zinc/96/93/80/982969380.db2.gz	OYMXQCGGXBFHQU-NOFHKNGASA-N	1	0	358.511	1.750	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NC[C@]3(C)CCCC[C@@H]3O)=[NH+]C[C@H]2C1	ZINC000133963617	982980810	/nfs/dbraw/zinc/98/08/10/982980810.db2.gz	RQUUOZZYGPFKFA-DOXZYTNZSA-N	1	0	366.506	1.808	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cc(C)ccc1OC)C2	ZINC001110777819	982989387	/nfs/dbraw/zinc/98/93/87/982989387.db2.gz	IXBUMMKCADYZNR-KURKYZTESA-N	1	0	369.465	1.017	20	30		FDEDRO
Cc1nsc(N2CCCN(C(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CC2)n1	ZINC000884228412	983002447	/nfs/dbraw/zinc/00/24/47/983002447.db2.gz	PLLDUCZLHWVVAY-XOYHFGRZSA-N	1	0	360.487	1.025	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1	ZINC000884261605	983035742	/nfs/dbraw/zinc/03/57/42/983035742.db2.gz	PJSCKOOYOHUVKK-VQTJNVASSA-N	1	0	370.497	1.150	20	30		FDEDRO
CCOC(=O)N1CCC([C@H](C)NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1	ZINC000884319563	983080952	/nfs/dbraw/zinc/08/09/52/983080952.db2.gz	XVBWVVJAGRBXEC-QGILYTQXSA-N	1	0	362.474	1.499	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCN(Cc3ccc(F)cc3)C1=O)C2	ZINC000884322440	983083409	/nfs/dbraw/zinc/08/34/09/983083409.db2.gz	MYKJWDLFWLXIEL-GLEGPSONSA-N	1	0	370.428	1.182	20	30		FDEDRO
N#CCCN1CCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1	ZINC000884470923	983173968	/nfs/dbraw/zinc/17/39/68/983173968.db2.gz	GCMNBMXPUXHJJX-CQSZACIVSA-N	1	0	351.248	1.507	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)c1ccc(C#N)cc1	ZINC000884541440	983232892	/nfs/dbraw/zinc/23/28/92/983232892.db2.gz	DYWIQWUXZPKYJH-AUUYWEPGSA-N	1	0	362.433	1.566	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)c1ccc(C#N)cc1	ZINC000884542279	983233588	/nfs/dbraw/zinc/23/35/88/983233588.db2.gz	ZNJRWENUFLNFGA-FZMZJTMJSA-N	1	0	350.369	1.096	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@@H+]([C@H](C)COC)[C@H]2CCc3ccccc32)CC1	ZINC000860113529	983241482	/nfs/dbraw/zinc/24/14/82/983241482.db2.gz	MIPZBANKAZRCDB-NQIIRXRSSA-N	1	0	369.509	1.788	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1	ZINC000923688273	983307505	/nfs/dbraw/zinc/30/75/05/983307505.db2.gz	QMYRMBXYKAZXCQ-CQSZACIVSA-N	1	0	353.419	1.216	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(OCC(N)=O)cc1)C2	ZINC001110785131	983437731	/nfs/dbraw/zinc/43/77/31/983437731.db2.gz	FUUDQEBNMPENQF-NXHRZFHOSA-N	1	0	357.454	1.852	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1	ZINC000653234851	1014968733	/nfs/dbraw/zinc/96/87/33/1014968733.db2.gz	RWRYGCWWJAEVLF-PBHICJAKSA-N	1	0	365.499	1.740	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)OC[C@]3(C)C[C@H](OC)C[N@@H+]3C)cc2C1=O	ZINC000861341056	983692529	/nfs/dbraw/zinc/69/25/29/983692529.db2.gz	MTJFBCWJSDISGR-XOBRGWDASA-N	1	0	372.421	1.735	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1	ZINC000861515612	983758334	/nfs/dbraw/zinc/75/83/34/983758334.db2.gz	HPPJOCZEVIHDBO-OCCSQVGLSA-N	1	0	353.344	1.592	20	30		FDEDRO
CCCCCCCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000861785998	983919997	/nfs/dbraw/zinc/91/99/97/983919997.db2.gz	OPSVMTJPBGCGJH-YESZJQIVSA-N	1	0	353.507	1.818	20	30		FDEDRO
CCCCCCCNC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1	ZINC000861786309	983920442	/nfs/dbraw/zinc/92/04/42/983920442.db2.gz	VLKYHELFULDZLW-IAGOWNOFSA-N	1	0	353.507	1.818	20	30		FDEDRO
C=CC[C@@H](C(=O)[O-])[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1	ZINC001588727279	983975707	/nfs/dbraw/zinc/97/57/07/983975707.db2.gz	ATFDZOTZHLRHJY-KRWDZBQOSA-N	1	0	351.491	1.720	20	30		FDEDRO
CC(C)(C(=O)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1)c1ccc(C#N)cc1	ZINC000861927356	983995389	/nfs/dbraw/zinc/99/53/89/983995389.db2.gz	BQDCXSMGBPCNJF-SFHVURJKSA-N	1	0	368.481	1.649	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1	ZINC000862091300	984104566	/nfs/dbraw/zinc/10/45/66/984104566.db2.gz	IHIZJQYZCXUQGR-INIZCTEOSA-N	1	0	355.438	1.770	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1	ZINC000862192445	984226922	/nfs/dbraw/zinc/22/69/22/984226922.db2.gz	MOHPCZAVFPYIQF-SFHVURJKSA-N	1	0	371.481	1.808	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCO[C@@H](c2ccc(S(C)(=O)=O)cc2)C1	ZINC000862446222	984392495	/nfs/dbraw/zinc/39/24/95/984392495.db2.gz	AGSFKJOVCRXAQX-MRXNPFEDSA-N	1	0	352.456	1.108	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1	ZINC000862628954	984447007	/nfs/dbraw/zinc/44/70/07/984447007.db2.gz	KZOWKDKGFRTAKB-IJYGLTAASA-N	1	0	360.458	1.426	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)NC1CC[NH+]([C@H]3CCOC3)CC1)C2	ZINC000868782826	984601037	/nfs/dbraw/zinc/60/10/37/984601037.db2.gz	FUVMZCFLSRBBEL-MOPGFXCFSA-N	1	0	354.454	1.578	20	30		FDEDRO
C[NH+](C)CCN1CCC(NC(=O)Nc2ccc(F)cc2OCC#N)CC1	ZINC000135299736	984659131	/nfs/dbraw/zinc/65/91/31/984659131.db2.gz	NHIZSTIFJWUXHP-UHFFFAOYSA-N	1	0	363.437	1.876	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H](C[C@@H]2COCCO2)C(F)(F)F)CC1	ZINC000828472695	984770920	/nfs/dbraw/zinc/77/09/20/984770920.db2.gz	LNYVGAOELMMYBD-CABCVRRESA-N	1	0	362.392	1.574	20	30		FDEDRO
COCC(C)(C)[NH+]1CCN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1	ZINC000869191727	984935236	/nfs/dbraw/zinc/93/52/36/984935236.db2.gz	FLWFRCCUPAPXJK-SFHVURJKSA-N	1	0	356.470	1.778	20	30		FDEDRO
CC1([NH+]2CCOCC2)CCN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1	ZINC000869192922	984935997	/nfs/dbraw/zinc/93/59/97/984935997.db2.gz	DWSQMMANGPXGCO-IBGZPJMESA-N	1	0	368.481	1.922	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccns1	ZINC000884941721	984987863	/nfs/dbraw/zinc/98/78/63/984987863.db2.gz	ADIAWXXESDELDF-UHFFFAOYSA-N	1	0	350.469	1.767	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000885011665	985069634	/nfs/dbraw/zinc/06/96/34/985069634.db2.gz	RXKGZJYJLLRYQP-REPLKXPHSA-N	1	0	355.482	1.891	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1	ZINC000885154536	985208483	/nfs/dbraw/zinc/20/84/83/985208483.db2.gz	ZAIACHYAQQKTHE-IBGZPJMESA-N	1	0	362.433	1.347	20	30		FDEDRO
N#CCCc1ccc(S(=O)(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1	ZINC000885309621	985321637	/nfs/dbraw/zinc/32/16/37/985321637.db2.gz	PNXXLVYAMXIZOY-KRWDZBQOSA-N	1	0	363.483	1.362	20	30		FDEDRO
N#CCc1cccc(S(=O)(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1	ZINC000795109038	985907276	/nfs/dbraw/zinc/90/72/76/985907276.db2.gz	LKFREBCFULZDLX-QGZVFWFLSA-N	1	0	363.483	1.674	20	30		FDEDRO
C[N@H+](CCC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1)C1CCCCC1	ZINC000886207036	985970879	/nfs/dbraw/zinc/97/08/79/985970879.db2.gz	NJBXKWOBIJYLAB-RHSMWYFYSA-N	1	0	353.488	1.038	20	30		FDEDRO
CO[C@@H]1C[C@@H]2C[N@H+](C[C@@H](O)CC3(C#N)CCC3)Cc3cccnc3N2C1	ZINC000886307079	986052504	/nfs/dbraw/zinc/05/25/04/986052504.db2.gz	JCWGPNGBAHCETP-FGTMMUONSA-N	1	0	356.470	1.936	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CCC[C@@H](C(=O)N[C@H]3CCC[C@@H](O)C3)C2)CCC1	ZINC000886313967	986056975	/nfs/dbraw/zinc/05/69/75/986056975.db2.gz	IKEVJDCZQLWAIL-XDNAFOTISA-N	1	0	363.502	1.563	20	30		FDEDRO
C#CC[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1	ZINC000886361810	986099593	/nfs/dbraw/zinc/09/95/93/986099593.db2.gz	WOCHHPVVQMIOGQ-SFHVURJKSA-N	1	0	369.465	1.120	20	30		FDEDRO
C#CCOCCN1CC[N@@H+](CCOCC#C)C[C@@H]1Cc1ccc(F)cc1	ZINC000886379115	986118312	/nfs/dbraw/zinc/11/83/12/986118312.db2.gz	OHTXLOYOOXEMHD-NRFANRHFSA-N	1	0	358.457	1.654	20	30		FDEDRO
CN1CCN(c2cc[nH+]c(NC(=O)COc3cccc(C#N)c3)c2)CC1	ZINC000870668206	986215346	/nfs/dbraw/zinc/21/53/46/986215346.db2.gz	RPNAQGWLEIMIFG-UHFFFAOYSA-N	1	0	351.410	1.723	20	30		FDEDRO
C#CCN(C(=O)c1cc(C)n(-c2cnn(C)c2)c1C)C1CC[NH+](C)CC1	ZINC000886573380	986372784	/nfs/dbraw/zinc/37/27/84/986372784.db2.gz	HBVSEHADFYWMRB-UHFFFAOYSA-N	1	0	353.470	1.997	20	30		FDEDRO
C#CCN(C(=O)c1ccc(=O)n(-c2ccccc2F)n1)C1CC[NH+](C)CC1	ZINC000886578728	986379197	/nfs/dbraw/zinc/37/91/97/986379197.db2.gz	JPERKYWWLXEHKF-UHFFFAOYSA-N	1	0	368.412	1.541	20	30		FDEDRO
C#CCN(C(=O)c1cnn(CC(=O)NC2CCCC2)c1)C1CC[NH+](C)CC1	ZINC000886580086	986381829	/nfs/dbraw/zinc/38/18/29/986381829.db2.gz	UYTBXSDNZUWCSP-UHFFFAOYSA-N	1	0	371.485	1.112	20	30		FDEDRO
C#CCN(C(=O)CS(=O)(=O)NC1CCC(C)CC1)C1CC[NH+](C)CC1	ZINC000886582041	986385717	/nfs/dbraw/zinc/38/57/17/986385717.db2.gz	DANWTQVDMWFUQS-UHFFFAOYSA-N	1	0	369.531	1.041	20	30		FDEDRO
C#CCN(C(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C)C1CC[NH+](C)CC1	ZINC000886582300	986385874	/nfs/dbraw/zinc/38/58/74/986385874.db2.gz	ODVODWQAHNVGTM-UHFFFAOYSA-N	1	0	355.442	1.150	20	30		FDEDRO
C#CCN(C(=O)CCc1nc(-c2ncccn2)no1)C1CC[NH+](C)CC1	ZINC000886582298	986386492	/nfs/dbraw/zinc/38/64/92/986386492.db2.gz	OBZQWSVMTGFWAO-UHFFFAOYSA-N	1	0	354.414	1.015	20	30		FDEDRO
C#CCN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C1CC[NH+](C)CC1	ZINC000886583556	986387599	/nfs/dbraw/zinc/38/75/99/986387599.db2.gz	VNGNMFZESNGAMV-UHFFFAOYSA-N	1	0	355.398	1.501	20	30		FDEDRO
C#CCN(C(=O)COc1ccc2c(c1)CCC(=O)N2)C1CC[NH+](C)CC1	ZINC000886585057	986390224	/nfs/dbraw/zinc/39/02/24/986390224.db2.gz	FOFBHTQXXFMBOC-UHFFFAOYSA-N	1	0	355.438	1.506	20	30		FDEDRO
C#CCN(C(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1)C1CC[NH+](C)CC1	ZINC000886585435	986391399	/nfs/dbraw/zinc/39/13/99/986391399.db2.gz	WOGDKWLVUBWCAE-MRXNPFEDSA-N	1	0	369.465	1.604	20	30		FDEDRO
C#CCN(C(=O)Cn1nnc(-c2ccc(C)cc2)n1)C1CC[NH+](C)CC1	ZINC000886587487	986393864	/nfs/dbraw/zinc/39/38/64/986393864.db2.gz	YFHQUVOZIHJNIY-UHFFFAOYSA-N	1	0	352.442	1.205	20	30		FDEDRO
C=CCC1(O)CC[NH+](CC(=O)NCCc2ccc(OC)c(OC)c2)CC1	ZINC000886755533	986555269	/nfs/dbraw/zinc/55/52/69/986555269.db2.gz	LQBYYKSNGGNXJL-UHFFFAOYSA-N	1	0	362.470	1.766	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)c3cn([C@H]4CCC[NH2+]C4)nn3)CC2)cc1	ZINC000870980973	986558502	/nfs/dbraw/zinc/55/85/02/986558502.db2.gz	BHLFCZAMXBQITA-KRWDZBQOSA-N	1	0	365.441	1.037	20	30		FDEDRO
CN(CCc1cccc(C#N)c1)c1nnc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1C	ZINC000871035510	986604504	/nfs/dbraw/zinc/60/45/04/986604504.db2.gz	ZUHOPZAQKMUGRX-MSOLQXFVSA-N	1	0	366.469	1.901	20	30		FDEDRO
Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000871044169	986609851	/nfs/dbraw/zinc/60/98/51/986609851.db2.gz	CLQWJZYLQNPFJS-UHFFFAOYSA-N	1	0	365.485	1.570	20	30		FDEDRO
C=CCn1c([C@@H]2CCCCO2)nnc1N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000871051832	986618876	/nfs/dbraw/zinc/61/88/76/986618876.db2.gz	BWXBWFLKTBAAPL-SFHVURJKSA-N	1	0	374.533	1.922	20	30		FDEDRO
Cn1ccnc1[C@@H]1CNCCN1S(=O)(=O)c1ccc(CCC#N)cc1	ZINC000886886702	986689639	/nfs/dbraw/zinc/68/96/39/986689639.db2.gz	PUJQPJWSAFGEEA-INIZCTEOSA-N	1	0	359.455	1.211	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)Nc2cc(CC#N)ccn2)(N2CCOCC2)CC1	ZINC000871733604	987211785	/nfs/dbraw/zinc/21/17/85/987211785.db2.gz	LDXSGBZUVGTOBA-UHFFFAOYSA-N	1	0	372.473	1.066	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1	ZINC000871810378	987257501	/nfs/dbraw/zinc/25/75/01/987257501.db2.gz	IBAGBLNLIQNDSE-INIZCTEOSA-N	1	0	357.435	1.560	20	30		FDEDRO
COC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@@H]2Cc3ccc(C#N)cc3C2)cc1	ZINC000872238759	987535622	/nfs/dbraw/zinc/53/56/22/987535622.db2.gz	JXOJKMAJRIGEDJ-MOPGFXCFSA-N	1	0	366.417	1.842	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12	ZINC000872239123	987535796	/nfs/dbraw/zinc/53/57/96/987535796.db2.gz	NZWQEMOZHSWYRL-XLNGHYISSA-N	1	0	364.287	1.883	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2	ZINC000872247630	987540740	/nfs/dbraw/zinc/54/07/40/987540740.db2.gz	NISQZEZCLAXUEA-LUKYLMHMSA-N	1	0	366.506	1.570	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[NH2+]CCC2(C)C)s1	ZINC000872301016	987583189	/nfs/dbraw/zinc/58/31/89/987583189.db2.gz	PBFGBUMOGDRONE-UHFFFAOYSA-N	1	0	371.528	1.355	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NCC2([NH+]3CCCC3)CCOCC2)c(C#N)c1	ZINC000872447302	987667014	/nfs/dbraw/zinc/66/70/14/987667014.db2.gz	IUBXZDNWJKLAKP-UHFFFAOYSA-N	1	0	363.483	1.790	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)C2=O)cc1	ZINC000360324063	987990443	/nfs/dbraw/zinc/99/04/43/987990443.db2.gz	SRGUISNRCNFZAR-QYZOEREBSA-N	1	0	354.454	1.195	20	30		FDEDRO
C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)C2)C1	ZINC000293244407	988003616	/nfs/dbraw/zinc/00/36/16/988003616.db2.gz	OSYGHGPCISUUFM-FQEVSTJZSA-N	1	0	354.454	1.980	20	30		FDEDRO
CC(C)[C@H]1CN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC[N@@H+]1C	ZINC000872735888	988021604	/nfs/dbraw/zinc/02/16/04/988021604.db2.gz	CXENWAOCOPBEJW-XLIONFOSSA-N	1	0	369.469	1.555	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ncccc2C)C1	ZINC000365792757	988089223	/nfs/dbraw/zinc/08/92/23/988089223.db2.gz	PHRTYLBXYFTAMG-MRXNPFEDSA-N	1	0	357.458	1.803	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)NCCN1CC[N@H+](C)C[C@@H]1c1ccccc1	ZINC000365921744	988228948	/nfs/dbraw/zinc/22/89/48/988228948.db2.gz	OAAKBFYPURPHMM-LJQANCHMSA-N	1	0	351.454	1.615	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1nnn(-c2ccc3ncccc3c2)c1C	ZINC000293941298	988265288	/nfs/dbraw/zinc/26/52/88/988265288.db2.gz	JAVYRKMLHSBXNZ-UHFFFAOYSA-N	1	0	362.437	1.809	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(c2ccc(C#N)nc2)CC1)C(C)(C)C[NH+](C)C	ZINC000872932366	988302915	/nfs/dbraw/zinc/30/29/15/988302915.db2.gz	NVLVZZRHLZNTAV-HNNXBMFYSA-N	1	0	358.490	1.761	20	30		FDEDRO
C[C@H]1CN(CC(=O)NC2(C#N)CCCCC2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000362079216	988576173	/nfs/dbraw/zinc/57/61/73/988576173.db2.gz	OZERTGPFUMRDPI-ROUUACIJSA-N	1	0	361.534	1.287	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000299589728	988613943	/nfs/dbraw/zinc/61/39/43/988613943.db2.gz	DCLZEWHNZPEXFL-HNNXBMFYSA-N	1	0	367.453	1.969	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000295168672	988622104	/nfs/dbraw/zinc/62/21/04/988622104.db2.gz	AENXYVOPFZAYPN-QUCCMNQESA-N	1	0	355.482	1.443	20	30		FDEDRO
CCOC(=O)c1cnn(C2CCN(CC(=O)N[C@@](C)(C#N)C3CC3)CC2)c1	ZINC000295759449	988753742	/nfs/dbraw/zinc/75/37/42/988753742.db2.gz	XVRVXRDHXBCWTL-IBGZPJMESA-N	1	0	373.457	1.505	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1	ZINC000295911312	988812629	/nfs/dbraw/zinc/81/26/29/988812629.db2.gz	RDCMIDIBZHNCLA-AWEZNQCLSA-N	1	0	358.442	1.879	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCc2cccc(C#N)c2)CC1	ZINC000366992401	988883746	/nfs/dbraw/zinc/88/37/46/988883746.db2.gz	ZBTBMKBGXPXFHA-GOSISDBHSA-N	1	0	369.469	1.049	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccco2)C1	ZINC000367213225	988941286	/nfs/dbraw/zinc/94/12/86/988941286.db2.gz	MSWGMAMFMSOEPE-CVEARBPZSA-N	1	0	360.458	1.730	20	30		FDEDRO
C[N@H+](Cc1ccccc1)[C@H]1CCN(c2cc(S(N)(=O)=O)ccc2C#N)C1	ZINC000367463992	988952334	/nfs/dbraw/zinc/95/23/34/988952334.db2.gz	HWOHGSICKMHLEY-KRWDZBQOSA-N	1	0	370.478	1.916	20	30		FDEDRO
COc1cccc(C(=O)N2CCC[N@H+](CCC(=O)N(C)CCC#N)CC2)c1	ZINC000367486116	988953774	/nfs/dbraw/zinc/95/37/74/988953774.db2.gz	PEWXODNHTHOECF-UHFFFAOYSA-N	1	0	372.469	1.605	20	30		FDEDRO
O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc2c1C[NH2+]CC2	ZINC000367653547	988958584	/nfs/dbraw/zinc/95/85/84/988958584.db2.gz	OGEDBVQIGCTMKG-UHFFFAOYSA-N	1	0	370.434	1.010	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1	ZINC000368069116	988976963	/nfs/dbraw/zinc/97/69/63/988976963.db2.gz	DUULKSFULJUAEW-UVBJJODRSA-N	1	0	366.412	1.700	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000363185107	988977293	/nfs/dbraw/zinc/97/72/93/988977293.db2.gz	PMDLORAEMYNQJO-QZTJIDSGSA-N	1	0	374.510	1.954	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCc3cnn4ccccc34)=[NH+]C[C@H]2C1	ZINC000368496187	988995800	/nfs/dbraw/zinc/99/58/00/988995800.db2.gz	MXEGASGZBYPBAA-HNNXBMFYSA-N	1	0	370.457	1.715	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1	ZINC000368724518	989005481	/nfs/dbraw/zinc/00/54/81/989005481.db2.gz	KAHQYMHWOVDFOZ-MRXNPFEDSA-N	1	0	367.490	1.779	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)cc1	ZINC000368986690	989019175	/nfs/dbraw/zinc/01/91/75/989019175.db2.gz	KSEFSSVSCAEAAM-HKUYNNGSSA-N	1	0	372.469	1.889	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C	ZINC000363300147	989073286	/nfs/dbraw/zinc/07/32/86/989073286.db2.gz	QQVNVKBYZKPWNV-CABCVRRESA-N	1	0	359.401	1.471	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CCN(c2ccccc2OC)C1	ZINC000296268721	989085177	/nfs/dbraw/zinc/08/51/77/989085177.db2.gz	HJRGTAHTLUEKQE-QGZVFWFLSA-N	1	0	358.486	1.776	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCC(n3cnc(C#N)n3)CC2)C1	ZINC000369731747	989129787	/nfs/dbraw/zinc/12/97/87/989129787.db2.gz	WYTPRWSVTOMMDX-HNNXBMFYSA-N	1	0	359.478	1.617	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1=O	ZINC000369757475	989148894	/nfs/dbraw/zinc/14/88/94/989148894.db2.gz	ZBBWXFNQJORMJZ-SQNIBIBYSA-N	1	0	356.470	1.860	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000369801477	989190462	/nfs/dbraw/zinc/19/04/62/989190462.db2.gz	GRAZBGZMGKHZBU-VHRNVKJDSA-N	1	0	373.428	1.765	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)CC1	ZINC000296440024	989208717	/nfs/dbraw/zinc/20/87/17/989208717.db2.gz	OHRDFKFXTQDPTN-JKSUJKDBSA-N	1	0	356.470	1.627	20	30		FDEDRO
N#Cc1ccc(-c2nnc(CN3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)o2)cc1	ZINC000369825199	989217880	/nfs/dbraw/zinc/21/78/80/989217880.db2.gz	GXQUDOBRXLNJMZ-IAGOWNOFSA-N	1	0	353.426	1.639	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)C(=O)C2)C1	ZINC000369869949	989256486	/nfs/dbraw/zinc/25/64/86/989256486.db2.gz	CUCDDDYUPQXXTB-SFHVURJKSA-N	1	0	369.469	1.396	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)C(=O)C2)C1	ZINC000369869948	989256766	/nfs/dbraw/zinc/25/67/66/989256766.db2.gz	CUCDDDYUPQXXTB-GOSISDBHSA-N	1	0	369.469	1.396	20	30		FDEDRO
Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21	ZINC000873832242	989276959	/nfs/dbraw/zinc/27/69/59/989276959.db2.gz	JOHMULSWEXWUCQ-GUYCJALGSA-N	1	0	358.417	1.887	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(C(=O)Cc3ccc(OCC#N)cc3)CC2)C1	ZINC000363542189	989284804	/nfs/dbraw/zinc/28/48/04/989284804.db2.gz	RZYXMGPLIQBUFG-GOSISDBHSA-N	1	0	356.470	1.370	20	30		FDEDRO
C=CCN(C(=O)c1[nH]c(=O)[nH]c(=O)c1N)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000369933446	989320789	/nfs/dbraw/zinc/32/07/89/989320789.db2.gz	DKUUPKJXTTXKMS-AWEZNQCLSA-N	1	0	369.425	1.373	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1C#N	ZINC000873858991	989340018	/nfs/dbraw/zinc/34/00/18/989340018.db2.gz	OTFKOGOLDPYJCS-INIZCTEOSA-N	1	0	358.442	1.742	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC3(C#N)CC3)cc2F)CC1	ZINC000873862582	989347216	/nfs/dbraw/zinc/34/72/16/989347216.db2.gz	SXWVUOUGEPRYIX-UHFFFAOYSA-N	1	0	373.432	1.326	20	30		FDEDRO
C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1	ZINC000363681649	989391729	/nfs/dbraw/zinc/39/17/29/989391729.db2.gz	CWIBYFOFFIARMP-FUHWJXTLSA-N	1	0	373.453	1.559	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1	ZINC000297037032	989463667	/nfs/dbraw/zinc/46/36/67/989463667.db2.gz	WIBVJYHBPOCOMF-QGZVFWFLSA-N	1	0	371.485	1.705	20	30		FDEDRO
C[C@H]1CN(C(=O)NCC2CCC(C#N)CC2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000370139140	989485321	/nfs/dbraw/zinc/48/53/21/989485321.db2.gz	BXFWCXPBRGPDBO-MKCYZYCBSA-N	1	0	361.534	1.984	20	30		FDEDRO
C=CCN(Cc1nc(CC(=O)NC)no1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000370167160	989510756	/nfs/dbraw/zinc/51/07/56/989510756.db2.gz	KGXMCCFLRQDDCM-KRWDZBQOSA-N	1	0	369.469	1.621	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NC[C@@H](c1ccc(C)o1)N1CCOCC1	ZINC000297548698	989561948	/nfs/dbraw/zinc/56/19/48/989561948.db2.gz	NBGLDEJDQXXZME-KRWDZBQOSA-N	1	0	362.474	1.216	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NCCC[N@@H+](C)C(C)C)s1	ZINC000873992893	989586919	/nfs/dbraw/zinc/58/69/19/989586919.db2.gz	IMMKPSRQHZLRBD-UHFFFAOYSA-N	1	0	373.544	1.601	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCc3cnc4n3CCCC4)=[NH+]C[C@@H]2C1	ZINC000370268325	989601456	/nfs/dbraw/zinc/60/14/56/989601456.db2.gz	XMTZVTPLLPEVHV-OAHLLOKOSA-N	1	0	374.489	1.600	20	30		FDEDRO
N#Cc1cccc(CNC(=O)CN2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)c1	ZINC000370354545	989683025	/nfs/dbraw/zinc/68/30/25/989683025.db2.gz	DRWRNVNAAPYVRB-RTBURBONSA-N	1	0	356.470	1.096	20	30		FDEDRO
C#CCO[C@H](C)c1nc(-c2ccccc2CN2CCC[C@@H]2C(N)=O)no1	ZINC000297798264	989699009	/nfs/dbraw/zinc/69/90/09/989699009.db2.gz	QFSZQSQUKWCBBB-CZUORRHYSA-N	1	0	354.410	1.897	20	30		FDEDRO
C[C@H](C#N)CN(C)C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000297861323	989729776	/nfs/dbraw/zinc/72/97/76/989729776.db2.gz	SRQDWRBXRIQOAX-NXHRZFHOSA-N	1	0	354.454	1.195	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1	ZINC000874171437	989864669	/nfs/dbraw/zinc/86/46/69/989864669.db2.gz	DAMMDHAAYVXEFH-FMKPAKJESA-N	1	0	356.426	1.469	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000365026515	989966185	/nfs/dbraw/zinc/96/61/85/989966185.db2.gz	LCSOFBBPSIXGOU-GOSISDBHSA-N	1	0	372.469	1.134	20	30		FDEDRO
C#CCC1(C(=O)N2CCN(C[C@H]3CN(C)CCO3)C[C@@H]2C)CCCCC1	ZINC000365033210	989973163	/nfs/dbraw/zinc/97/31/63/989973163.db2.gz	NOSSLBQQUXUZHR-RBUKOAKNSA-N	1	0	361.530	1.824	20	30		FDEDRO
CON=C(C(=O)N(C)CC[N@H+](C)C1CCCCC1)c1csc(N)n1	ZINC000874244958	989981766	/nfs/dbraw/zinc/98/17/66/989981766.db2.gz	RJJSZMQOCFVOJY-UHFFFAOYSA-N	1	0	353.492	1.799	20	30		FDEDRO
C[C@@H]1CN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@@H](C)N1CCO	ZINC000365129662	990051171	/nfs/dbraw/zinc/05/11/71/990051171.db2.gz	FRBRGLHMVXYNEK-ZIAGYGMSSA-N	1	0	369.429	1.058	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C	ZINC000968687147	1015538221	/nfs/dbraw/zinc/53/82/21/1015538221.db2.gz	UIQSHTRHSFPBDI-WKULXVSPSA-N	1	0	361.486	1.264	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000874365027	990180843	/nfs/dbraw/zinc/18/08/43/990180843.db2.gz	CICLTVWYWHLYHM-GJZGRUSLSA-N	1	0	357.458	1.748	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N(C)C[C@H](C)C#N	ZINC000298589949	990182180	/nfs/dbraw/zinc/18/21/80/990182180.db2.gz	PFGQUXNBLRIQNP-SJLPKXTDSA-N	1	0	371.485	1.513	20	30		FDEDRO
CON=C(C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1csc(N)n1	ZINC000874445109	990285065	/nfs/dbraw/zinc/28/50/65/990285065.db2.gz	QPJHCDGRWGLXKZ-GFCCVEGCSA-N	1	0	351.476	1.553	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1	ZINC000371230118	990315211	/nfs/dbraw/zinc/31/52/11/990315211.db2.gz	OWYCTVOIJZJKEK-PKOBYXMFSA-N	1	0	366.465	1.650	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(=O)NC)cc2)C1	ZINC000968717180	1015565524	/nfs/dbraw/zinc/56/55/24/1015565524.db2.gz	QPFSNLXIEYCHRQ-QRVBRYPASA-N	1	0	371.481	1.718	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000874846585	990573777	/nfs/dbraw/zinc/57/37/77/990573777.db2.gz	YTCJYPRGKPMNBF-IAGOWNOFSA-N	1	0	350.426	1.635	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc(C(F)(F)F)c(C#N)n2)CC1	ZINC000409733210	990789303	/nfs/dbraw/zinc/78/93/03/990789303.db2.gz	PKIZSYWGZRVMIB-CQSZACIVSA-N	1	0	367.375	1.715	20	30		FDEDRO
CN(CCc1cccc(C#N)c1)C(=O)NC1CCN(CC[NH+](C)C)CC1	ZINC000875056054	990799018	/nfs/dbraw/zinc/79/90/18/990799018.db2.gz	JLMZBBBYUJZILQ-UHFFFAOYSA-N	1	0	357.502	1.768	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1	ZINC000875060756	990810889	/nfs/dbraw/zinc/81/08/89/990810889.db2.gz	FTRQQRHFIZLMOB-IBGZPJMESA-N	1	0	371.481	1.096	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCC(C(C)=O)CC1)C(C)C	ZINC000875078837	990848463	/nfs/dbraw/zinc/84/84/63/990848463.db2.gz	OIMDQVVIWSKVDV-SFHVURJKSA-N	1	0	363.502	1.629	20	30		FDEDRO
C=CCN(C(=O)Cn1cc([C@H](C)O)nn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000371974426	990868587	/nfs/dbraw/zinc/86/85/87/990868587.db2.gz	OUPFTISCHFUIOH-FUHWJXTLSA-N	1	0	369.469	1.621	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1	ZINC000875238825	991169246	/nfs/dbraw/zinc/16/92/46/991169246.db2.gz	WEQWZHGEUXLSQL-KRWDZBQOSA-N	1	0	370.501	1.905	20	30		FDEDRO
C=CCN1CC[C@@H](N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(CC)ccn2)C3)C1=O	ZINC001095457680	991229996	/nfs/dbraw/zinc/22/99/96/991229996.db2.gz	PRYGRNADLQVEAY-KCITZHQASA-N	1	0	368.481	1.766	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2	ZINC000372677769	991333877	/nfs/dbraw/zinc/33/38/77/991333877.db2.gz	WMUFCFDQVXRQTN-UHFFFAOYSA-N	1	0	373.428	1.863	20	30		FDEDRO
N#CCCCOc1cccnc1NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000372721907	991399046	/nfs/dbraw/zinc/39/90/46/991399046.db2.gz	FDZWCDJFZYTGGI-LSDHHAIUSA-N	1	0	359.430	1.749	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)NCCC1CC[NH+](C(C)C)CC1	ZINC000875597771	991784142	/nfs/dbraw/zinc/78/41/42/991784142.db2.gz	MOHKNMFHDPEAIE-KRWDZBQOSA-N	1	0	351.491	1.158	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC(C[NH+](CC)CC)CC1	ZINC000875600242	991788149	/nfs/dbraw/zinc/78/81/49/991788149.db2.gz	QBZFWGSLPBVVFX-QGZVFWFLSA-N	1	0	351.491	1.111	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000875604847	991794200	/nfs/dbraw/zinc/79/42/00/991794200.db2.gz	SRTZEGYEWWQBHW-OALUTQOASA-N	1	0	371.481	1.264	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCCN(C=O)CC3)CC2)c1	ZINC000875702302	991920079	/nfs/dbraw/zinc/92/00/79/991920079.db2.gz	IBLUZRWRDPXIIA-UHFFFAOYSA-N	1	0	369.469	1.396	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2C)CCO1	ZINC000875716243	991936414	/nfs/dbraw/zinc/93/64/14/991936414.db2.gz	TXAZTEAUEPCGBY-GOSISDBHSA-N	1	0	359.470	1.347	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)CC2)CC[N@@H+]1C	ZINC000964818316	1015680753	/nfs/dbraw/zinc/68/07/53/1015680753.db2.gz	CHJKZHSCHDJQHB-VNQPRFMTSA-N	1	0	357.458	1.337	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)CC2)CC[N@@H+]1C	ZINC000964841515	1015687534	/nfs/dbraw/zinc/68/75/34/1015687534.db2.gz	AYSDTJBHFLLRRN-UKPHBRMFSA-N	1	0	357.458	1.337	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)N2CC[C@@](O)(CC#N)C2)(c2ccccc2)CC1	ZINC000876069527	992276065	/nfs/dbraw/zinc/27/60/65/992276065.db2.gz	GUUYOHFSDZCYGX-FQEVSTJZSA-N	1	0	356.470	1.710	20	30		FDEDRO
C=CC[C@H](CC)NC(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1	ZINC000374131942	992630221	/nfs/dbraw/zinc/63/02/21/992630221.db2.gz	WSDPVFZFPFOBLK-AWEZNQCLSA-N	1	0	360.458	1.964	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC)C1	ZINC000374170178	992669930	/nfs/dbraw/zinc/66/99/30/992669930.db2.gz	IIGQHUXUFXZBEV-VNQPRFMTSA-N	1	0	359.426	1.275	20	30		FDEDRO
C=C(Cl)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC(=O)N(CC(C)C)C1)C2	ZINC001095495171	992694279	/nfs/dbraw/zinc/69/42/79/992694279.db2.gz	GPKMRCLVKNUFKC-FZKCQIBNSA-N	1	0	353.894	1.965	20	30		FDEDRO
C[C@H](C(=O)NC1CC1)N1CCN(Cc2cc(C#N)ccc2N(C)C)CC1	ZINC000876556948	992704157	/nfs/dbraw/zinc/70/41/57/992704157.db2.gz	YXDRZVWNWFUQCK-OAHLLOKOSA-N	1	0	355.486	1.409	20	30		FDEDRO
CCN(CC)C(=O)N1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876589519	992723332	/nfs/dbraw/zinc/72/33/32/992723332.db2.gz	NIQOAWBIBBILHP-GOSISDBHSA-N	1	0	369.469	1.351	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@H](CO)Cc1ccc(F)cc1	ZINC000876593309	992727391	/nfs/dbraw/zinc/72/73/91/992727391.db2.gz	ZGHLDBGQGFZLRR-UZLBHIALSA-N	1	0	367.424	1.852	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)c1C	ZINC000411949901	992732079	/nfs/dbraw/zinc/73/20/79/992732079.db2.gz	WACJISSSALUHCY-QGZVFWFLSA-N	1	0	356.470	1.960	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1	ZINC000876623958	992750172	/nfs/dbraw/zinc/75/01/72/992750172.db2.gz	CQYMEOCOBRWQJW-OAHLLOKOSA-N	1	0	353.825	1.509	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1	ZINC000876639651	992763539	/nfs/dbraw/zinc/76/35/39/992763539.db2.gz	VUPIWVCNBQNOCD-CQSZACIVSA-N	1	0	360.845	1.922	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1C	ZINC000876672840	992785690	/nfs/dbraw/zinc/78/56/90/992785690.db2.gz	QIFKVHVHXSXXIQ-CQSZACIVSA-N	1	0	351.834	1.876	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1	ZINC000876734446	992849940	/nfs/dbraw/zinc/84/99/40/992849940.db2.gz	TUTDKNGXMUQHOZ-MRXNPFEDSA-N	1	0	364.877	1.412	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N[C@H]1CCN(CC(F)(F)F)C1	ZINC000876742872	992860711	/nfs/dbraw/zinc/86/07/11/992860711.db2.gz	XWYQWIFUDFUETI-DZGCQCFKSA-N	1	0	352.360	1.498	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1	ZINC000876753770	992874059	/nfs/dbraw/zinc/87/40/59/992874059.db2.gz	OCVIZVOPNXRDQE-INIZCTEOSA-N	1	0	370.925	1.392	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](Cc1ccccc1)CN1CCOCC1	ZINC000876759686	992882002	/nfs/dbraw/zinc/88/20/02/992882002.db2.gz	QFBAGNYNIHHDDD-IAGOWNOFSA-N	1	0	351.878	1.516	20	30		FDEDRO
CC(C)OCCN1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876767787	992890872	/nfs/dbraw/zinc/89/08/72/992890872.db2.gz	AJJTUHJKEMLTNM-IBGZPJMESA-N	1	0	356.470	1.314	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)CC1	ZINC000374703507	992924132	/nfs/dbraw/zinc/92/41/32/992924132.db2.gz	MAYQVSNDXHUQOH-SJLPKXTDSA-N	1	0	365.518	1.894	20	30		FDEDRO
C[C@H]([C@@H]1CN(Cc2ccccc2)CCO1)[N@H+](C)CCC(=O)N(C)CCC#N	ZINC000374907089	992966204	/nfs/dbraw/zinc/96/62/04/992966204.db2.gz	CHFRUCIFWROZBQ-QUCCMNQESA-N	1	0	372.513	1.970	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1	ZINC000375277271	993047324	/nfs/dbraw/zinc/04/73/24/993047324.db2.gz	XTFLIDCCAREHRG-PVAVHDDUSA-N	1	0	359.474	1.407	20	30		FDEDRO
C[S@@](=O)C1(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)CC[NH2+]CC1	ZINC000877214974	993111752	/nfs/dbraw/zinc/11/17/52/993111752.db2.gz	GXKHBQRFGMMAEG-AREMUKBSSA-N	1	0	371.466	1.242	20	30		FDEDRO
Cc1c(C(=O)N(C)CCc2cccc(C#N)c2)nnn1C1CC[NH2+]CC1	ZINC000877224166	993115053	/nfs/dbraw/zinc/11/50/53/993115053.db2.gz	UARSXNDUUCBQOQ-UHFFFAOYSA-N	1	0	352.442	1.697	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CN(Cc2cccc(C)c2)CCO1	ZINC000877248295	993144267	/nfs/dbraw/zinc/14/42/67/993144267.db2.gz	JQDHKEHAMCKMKK-IAGOWNOFSA-N	1	0	351.878	1.782	20	30		FDEDRO
CCOC1CC(C[NH2+]Cc2cc(C#N)cnc2Cl)(N2CCOCC2)C1	ZINC000877480436	993298696	/nfs/dbraw/zinc/29/86/96/993298696.db2.gz	VMWSCANVCJYBKV-UHFFFAOYSA-N	1	0	364.877	1.966	20	30		FDEDRO
C[NH+](C)CCN(Cc1cn(C[C@@H]2CCCO2)nn1)Cc1ccc(C#N)cc1	ZINC000877523316	993319669	/nfs/dbraw/zinc/31/96/69/993319669.db2.gz	XOIMBKACPSWUSI-FQEVSTJZSA-N	1	0	368.485	1.893	20	30		FDEDRO
Cc1onc(CC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1C#N	ZINC000468185433	993488665	/nfs/dbraw/zinc/48/86/65/993488665.db2.gz	AKFUBCSVGFVAFH-KRWDZBQOSA-N	1	0	368.437	1.670	20	30		FDEDRO
CC(=O)[C@](C#N)(CC[N@@H+](C)C[C@H](O)CN1CCOCC1)c1ccccc1	ZINC000878179825	993767542	/nfs/dbraw/zinc/76/75/42/993767542.db2.gz	QUABVUCVZAQZSR-VQTJNVASSA-N	1	0	359.470	1.052	20	30		FDEDRO
C[NH+]1CCC(NC(=O)CN2CCC(Oc3ccc(C#N)cc3F)CC2)CC1	ZINC000878609611	994060066	/nfs/dbraw/zinc/06/00/66/994060066.db2.gz	GKUSDOCZRKXYTE-UHFFFAOYSA-N	1	0	374.460	1.751	20	30		FDEDRO
CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1)c1ccccc1	ZINC000878655072	994093985	/nfs/dbraw/zinc/09/39/85/994093985.db2.gz	ZBTFPPIQIYOGSB-WOJBJXKFSA-N	1	0	367.453	1.848	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CN1C(=O)N[C@@H]([C@@H](O)c2ccncc2)C1=O)C(C)C	ZINC000924486755	994736579	/nfs/dbraw/zinc/73/65/79/994736579.db2.gz	YMRFGNMENZHTOA-SQNIBIBYSA-N	1	0	372.469	1.734	20	30		FDEDRO
N#Cc1c(Cl)cccc1S(=O)(=O)NCCCCCN1CC[NH2+]CC1	ZINC000923681703	994754492	/nfs/dbraw/zinc/75/44/92/994754492.db2.gz	NXFLWCKXIYRVFO-UHFFFAOYSA-N	1	0	370.906	1.565	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CC(=O)NCCC#N	ZINC000879437538	994912796	/nfs/dbraw/zinc/91/27/96/994912796.db2.gz	CCEZIKOREFBJTE-JONQDZQNSA-N	1	0	362.474	1.594	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)CC1	ZINC000879563065	995011305	/nfs/dbraw/zinc/01/13/05/995011305.db2.gz	PZGMSFOWZCYDEM-IKGGRYGDSA-N	1	0	350.532	1.364	20	30		FDEDRO
C[C@H](C(=O)Nc1ccccc1C#N)N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000879591099	995057318	/nfs/dbraw/zinc/05/73/18/995057318.db2.gz	JLCJAWKDDHDQKE-MRXNPFEDSA-N	1	0	355.486	1.597	20	30		FDEDRO
Cc1oc(NC(=O)[C@@H](C)N2CCC([NH+]3CCN(C)CC3)CC2)c(C#N)c1C	ZINC000879593585	995064572	/nfs/dbraw/zinc/06/45/72/995064572.db2.gz	ZZDOXIUIZFJOGA-OAHLLOKOSA-N	1	0	373.501	1.807	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+]C2([C@@H]3CCCCO3)CCC2)CC1	ZINC000879734303	995236909	/nfs/dbraw/zinc/23/69/09/995236909.db2.gz	ISUQIATXYPXTFD-MSOLQXFVSA-N	1	0	362.518	1.760	20	30		FDEDRO
COC(=O)[C@]12CCC[C@H]1[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)CC2	ZINC000880179926	995710884	/nfs/dbraw/zinc/71/08/84/995710884.db2.gz	VQAAFMONHUINQG-POAQFYNOSA-N	1	0	358.438	1.910	20	30		FDEDRO
N#CCOc1ccc(CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1	ZINC000880250116	995753283	/nfs/dbraw/zinc/75/32/83/995753283.db2.gz	KSGVWKZMARIILQ-UHFFFAOYSA-N	1	0	356.470	1.895	20	30		FDEDRO
C[C@@H]1CN(CCS(=O)(=O)c2cccc(C#N)c2)CCN1c1cc[nH+]cc1	ZINC000880259926	995763733	/nfs/dbraw/zinc/76/37/33/995763733.db2.gz	LUYXWFFLZGYTPW-MRXNPFEDSA-N	1	0	370.478	1.938	20	30		FDEDRO
N#Cc1cccc([C@H](NC(=O)NCCN2CCC([NH3+])CC2)C(F)(F)F)c1	ZINC000926190129	995969593	/nfs/dbraw/zinc/96/95/93/995969593.db2.gz	TZDXBRJRKUJKKT-HNNXBMFYSA-N	1	0	369.391	1.884	20	30		FDEDRO
C=CCCN(OCc1ccccc1)C(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1	ZINC000926360353	996085994	/nfs/dbraw/zinc/08/59/94/996085994.db2.gz	KPKINHRQNBRBQE-FUHWJXTLSA-N	1	0	359.470	1.966	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCC([C@@H]2OCCC[C@H]2c2nc(C)no2)CC1	ZINC000926600619	996231881	/nfs/dbraw/zinc/23/18/81/996231881.db2.gz	MIQWAIDSJWDDON-SJORKVTESA-N	1	0	362.474	1.997	20	30		FDEDRO
C#CC[C@@H](CO)NC(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1	ZINC000926789960	996303424	/nfs/dbraw/zinc/30/34/24/996303424.db2.gz	HSOGDMAXCOLLCT-SFHVURJKSA-N	1	0	359.470	1.351	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)NCC(=O)N(C)Cc1ccccc1)c1cccc(C#N)c1	ZINC000926967887	996380795	/nfs/dbraw/zinc/38/07/95/996380795.db2.gz	XWFCAPPRJVYNDD-MRXNPFEDSA-N	1	0	364.449	1.984	20	30		FDEDRO
CCN(C(=O)C(=O)Nc1ccc(C#N)c(Br)c1)[C@@H]1CC[NH2+]C1	ZINC000887007419	996823600	/nfs/dbraw/zinc/82/36/00/996823600.db2.gz	KDPQNNVKXWTBQY-GFCCVEGCSA-N	1	0	365.231	1.470	20	30		FDEDRO
C=C(C)COc1cccc(NC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)c1	ZINC000887033608	996845991	/nfs/dbraw/zinc/84/59/91/996845991.db2.gz	YKPXWDGCPYLOJU-CYBMUJFWSA-N	1	0	367.396	1.941	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)ccc1C1CC1	ZINC000887036625	996854402	/nfs/dbraw/zinc/85/44/02/996854402.db2.gz	KOTOMQLKTAYPCQ-CYBMUJFWSA-N	1	0	362.380	1.735	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1	ZINC000887040691	996862342	/nfs/dbraw/zinc/86/23/42/996862342.db2.gz	ILLBPKPTOPHHOK-MGPUTAFESA-N	1	0	370.453	1.908	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N(CCC(N)=O)c2ccc(F)cc2)CCOCC1	ZINC000887126097	996956284	/nfs/dbraw/zinc/95/62/84/996956284.db2.gz	WIUQIQGANHUWCX-UHFFFAOYSA-N	1	0	361.417	1.196	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1ccc(I)c(O)c1	ZINC000717689057	997202968	/nfs/dbraw/zinc/20/29/68/997202968.db2.gz	CYMUWUXXRYRIRT-UHFFFAOYSA-N	1	0	358.179	1.292	20	30		FDEDRO
C[NH+]=C(NCc1ccccc1OCC(=O)NC[C@H]1CCCO1)NC1CC1	ZINC000264030890	997385373	/nfs/dbraw/zinc/38/53/73/997385373.db2.gz	DKSPHKZUUVOESF-MRXNPFEDSA-N	1	0	360.458	1.188	20	30		FDEDRO
CN(C)[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)c1cccc(F)c1	ZINC000264072229	997395516	/nfs/dbraw/zinc/39/55/16/997395516.db2.gz	GMFZTEGEPKTPGY-QGZVFWFLSA-N	1	0	371.464	1.355	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCn2c(C)nc3ccccc32)CC1	ZINC000264095167	997401312	/nfs/dbraw/zinc/40/13/12/997401312.db2.gz	LWXULAPJLWTAFI-UHFFFAOYSA-N	1	0	372.473	1.870	20	30		FDEDRO
COCCN(CC[NH+](C)C)C(=O)/C=C/c1ccc(OCC#N)c(OC)c1	ZINC000264128948	997407356	/nfs/dbraw/zinc/40/73/56/997407356.db2.gz	DXIGWMZXXFORHX-SOFGYWHQSA-N	1	0	361.442	1.647	20	30		FDEDRO
CCN(CC)C(=[NH2+])NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1	ZINC000264133103	997409582	/nfs/dbraw/zinc/40/95/82/997409582.db2.gz	UNVBNNUMGVFFOR-INIZCTEOSA-N	1	0	364.490	1.734	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(OCC#N)c2)CC1	ZINC000264496081	997524934	/nfs/dbraw/zinc/52/49/34/997524934.db2.gz	XISLCCBPPNGCGQ-UHFFFAOYSA-N	1	0	356.426	1.684	20	30		FDEDRO
Cn1cnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC#Cc2ccc(F)cc2)n1	ZINC001095384698	998021350	/nfs/dbraw/zinc/02/13/50/998021350.db2.gz	MPJNOFXQTUYCEU-IKGGRYGDSA-N	1	0	353.401	1.341	20	30		FDEDRO
CC[NH+]1CCC(N2CCCN(C(=O)Nc3ccc(C#N)cn3)CC2)CC1	ZINC000889239741	998241455	/nfs/dbraw/zinc/24/14/55/998241455.db2.gz	ZQDKUBUGABUGQS-UHFFFAOYSA-N	1	0	356.474	1.977	20	30		FDEDRO
C=CCOc1cc(OC)ccc1C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000889760834	998612237	/nfs/dbraw/zinc/61/22/37/998612237.db2.gz	IDWGOKWTDUSSEH-QZTJIDSGSA-N	1	0	360.454	1.931	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2c(-c3cnn(C)c3)nc3n2CCCC3)CC1	ZINC000889841483	998699828	/nfs/dbraw/zinc/69/98/28/998699828.db2.gz	XYZHQBVEPFFLIB-UHFFFAOYSA-N	1	0	366.469	1.904	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@]2(OCCOC)OCC3)CC1	ZINC000889942143	998737919	/nfs/dbraw/zinc/73/79/19/998737919.db2.gz	BFLPGFLJWFTUPF-RTBURBONSA-N	1	0	350.459	1.150	20	30		FDEDRO
C=C[C@H]1CCCCN1C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000890134806	998834291	/nfs/dbraw/zinc/83/42/91/998834291.db2.gz	SXHRJRRKJBVYMB-ROUUACIJSA-N	1	0	350.507	1.533	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)N2Cc3cccnc3N3CCC[C@H]3C2)C1	ZINC000890361297	998913528	/nfs/dbraw/zinc/91/35/28/998913528.db2.gz	NOZCEBZGACHTKW-ROUUACIJSA-N	1	0	353.470	1.673	20	30		FDEDRO
Cc1nc(NC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)ccc1C#N	ZINC001066686451	999014985	/nfs/dbraw/zinc/01/49/85/999014985.db2.gz	QVMMKAPTQNCADE-DJIMGWMZSA-N	1	0	357.458	1.241	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNc3ncccc3C#N)C2)CC[N@@H+]1C	ZINC001066687987	999025951	/nfs/dbraw/zinc/02/59/51/999025951.db2.gz	QRUHRBGNUOAJPP-YESZJQIVSA-N	1	0	357.458	1.323	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]nc1[C@@H]1CCOC1)C2	ZINC001110859514	999059276	/nfs/dbraw/zinc/05/92/76/999059276.db2.gz	BOSSRRLNIKIEJT-SRABZTEZSA-N	1	0	360.458	1.451	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCCCC)cc1	ZINC001110884267	999111997	/nfs/dbraw/zinc/11/19/97/999111997.db2.gz	WWUQOOSMBZYAGZ-QRVBRYPASA-N	1	0	353.466	1.919	20	30		FDEDRO
COc1ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cc1N1CCNC1=O	ZINC000266107536	999116975	/nfs/dbraw/zinc/11/69/75/999116975.db2.gz	TUBLLSOUEKKOHF-UHFFFAOYSA-N	1	0	373.457	1.532	20	30		FDEDRO
COC(=O)c1coc(CO[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)c1	ZINC000266598019	999196899	/nfs/dbraw/zinc/19/68/99/999196899.db2.gz	CBKUPPFVQYQXSH-UHFFFAOYSA-N	1	0	373.409	1.864	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=NOCC(=O)NCCOc2ccccc2)cc1	ZINC000267010900	999287306	/nfs/dbraw/zinc/28/73/06/999287306.db2.gz	MHRHCFAFYNQXGP-UHFFFAOYSA-N	1	0	370.453	1.580	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000267425492	999331774	/nfs/dbraw/zinc/33/17/74/999331774.db2.gz	LIJDQOXDXZZXKM-CYBMUJFWSA-N	1	0	355.446	1.198	20	30		FDEDRO
COCc1cccc(CNC(=O)CON=C(N)c2ccc(OC)cc2)c1	ZINC000268679575	999449265	/nfs/dbraw/zinc/44/92/65/999449265.db2.gz	WOBNQMJYTCHIFT-UHFFFAOYSA-N	1	0	357.410	1.795	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cccc(OCC#N)c3)CC[C@@H]21	ZINC000269040221	999462798	/nfs/dbraw/zinc/46/27/98/999462798.db2.gz	WUOTZWYUOYFPPV-PBHICJAKSA-N	1	0	356.426	1.470	20	30		FDEDRO
CNC(=O)CCC[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC	ZINC000269971265	999493912	/nfs/dbraw/zinc/49/39/12/999493912.db2.gz	RKVVISGCVLQTLV-OAHLLOKOSA-N	1	0	360.458	1.788	20	30		FDEDRO
C[C@H]1C[NH+](CCCNC(=O)C(=O)N2CCc3ccc(C#N)cc32)C[C@H](C)O1	ZINC000270132134	999516633	/nfs/dbraw/zinc/51/66/33/999516633.db2.gz	BRPHNAJLZHJHCR-GJZGRUSLSA-N	1	0	370.453	1.063	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CCc2ccc(C#N)cc21)C(C)(C)C	ZINC000270248400	999530856	/nfs/dbraw/zinc/53/08/56/999530856.db2.gz	WZMHHHYDFAEQBA-QGZVFWFLSA-N	1	0	356.470	1.930	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1C#N	ZINC000270271531	999533957	/nfs/dbraw/zinc/53/39/57/999533957.db2.gz	UTUQLQSZQBNNDV-MRXNPFEDSA-N	1	0	354.454	1.996	20	30		FDEDRO
CC(C)N1CC[NH+](C2CCN(C(=O)COc3ccccc3C#N)CC2)CC1	ZINC000270919919	999633883	/nfs/dbraw/zinc/63/38/83/999633883.db2.gz	OYLTWBRBWUDFMJ-UHFFFAOYSA-N	1	0	370.497	1.954	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1	ZINC000271570903	999713355	/nfs/dbraw/zinc/71/33/55/999713355.db2.gz	PTQIEGXQOOTWNI-UHFFFAOYSA-N	1	0	358.442	1.805	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)CC1	ZINC000271698957	999726040	/nfs/dbraw/zinc/72/60/40/999726040.db2.gz	SXLZXBPHGAFMRA-CQSZACIVSA-N	1	0	358.442	1.946	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1cc(OC)ncn1)C(C)C	ZINC000273898104	999731935	/nfs/dbraw/zinc/73/19/35/999731935.db2.gz	FBLBPZRWKKOEOR-CQSZACIVSA-N	1	0	361.446	1.239	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1	ZINC000283867254	999762829	/nfs/dbraw/zinc/76/28/29/999762829.db2.gz	IEXLWTMZXJFTSH-UHFFFAOYSA-N	1	0	359.470	1.260	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)c1ccc(C#N)cc1	ZINC000284013553	999770335	/nfs/dbraw/zinc/77/03/35/999770335.db2.gz	NSTDMFODXKGNSY-CABCVRRESA-N	1	0	356.470	1.924	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCCOC1)C(C)C	ZINC000284030445	999774075	/nfs/dbraw/zinc/77/40/75/999774075.db2.gz	LNSYDFFCPHFUKO-QZTJIDSGSA-N	1	0	365.518	1.686	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000284108863	999777194	/nfs/dbraw/zinc/77/71/94/999777194.db2.gz	CHVYBAQOIATLHU-IAGOWNOFSA-N	1	0	357.454	1.611	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@H](C)Cn1ccnc1)C(C)C	ZINC000284147501	999778257	/nfs/dbraw/zinc/77/82/57/999778257.db2.gz	YVFWZVDCYBWBBU-IAGOWNOFSA-N	1	0	361.490	1.203	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1	ZINC000284584713	999853165	/nfs/dbraw/zinc/85/31/65/999853165.db2.gz	VRRZJBNOBAMQHY-IRXDYDNUSA-N	1	0	373.497	1.947	20	30		FDEDRO
C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@@H+]1[C@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000284736862	999869099	/nfs/dbraw/zinc/86/90/99/999869099.db2.gz	IPOVJVMXGJVSSZ-BNDYYXHWSA-N	1	0	369.465	1.915	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N(C)Cc1ccc(C#N)cc1	ZINC000284887749	999878710	/nfs/dbraw/zinc/87/87/10/999878710.db2.gz	FKDLNRCTFSQOCW-HOTGVXAUSA-N	1	0	356.470	1.753	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)COc2cccc(C)c2)CC1	ZINC000284935171	999884548	/nfs/dbraw/zinc/88/45/48/999884548.db2.gz	FRJPWHXQHASMBX-INIZCTEOSA-N	1	0	359.470	1.645	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1	ZINC000285210303	999904754	/nfs/dbraw/zinc/90/47/54/999904754.db2.gz	RHAYITCWKXZXCZ-UHFFFAOYSA-N	1	0	356.470	1.896	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cc(C#N)ccc2NC)CC1=O	ZINC000285868690	999921800	/nfs/dbraw/zinc/92/18/00/999921800.db2.gz	HWSHYTQXSDGLBX-HZPDHXFCSA-N	1	0	369.469	1.871	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2OCCN(C(=O)CCCC(=O)Nc3ccccc3C#N)[C@H]2C1	ZINC000285904400	999924191	/nfs/dbraw/zinc/92/41/91/999924191.db2.gz	SYQSHDSJFIRGMJ-ROUUACIJSA-N	1	0	370.453	1.599	20	30		FDEDRO
CN1C(=O)N[C@@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@@H]21	ZINC000286036576	999932839	/nfs/dbraw/zinc/93/28/39/999932839.db2.gz	RSJKHOGETDAZHC-KGLIPLIRSA-N	1	0	373.482	1.535	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C[C@@H](C)O)c2ccccc2)CC1	ZINC000286420001	999944377	/nfs/dbraw/zinc/94/43/77/999944377.db2.gz	FSMHRQKGFOJWLW-SJLPKXTDSA-N	1	0	373.497	1.424	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2c2ncc[nH]2)CC1	ZINC000286626885	999945532	/nfs/dbraw/zinc/94/55/32/999945532.db2.gz	MDIGWZPDOIEILA-INIZCTEOSA-N	1	0	359.474	1.620	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1	ZINC000286730602	999947751	/nfs/dbraw/zinc/94/77/51/999947751.db2.gz	QCNWDTJBIXRZSY-PKOBYXMFSA-N	1	0	373.497	1.865	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C	ZINC000286818134	999951045	/nfs/dbraw/zinc/95/10/45/999951045.db2.gz	AQGHZPKWARNRFG-PBHICJAKSA-N	1	0	357.454	1.467	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)CCCOc2ccccc2C)CC1	ZINC000286825139	999951275	/nfs/dbraw/zinc/95/12/75/999951275.db2.gz	WUMCFAJIARQADO-UHFFFAOYSA-N	1	0	373.497	1.989	20	30		FDEDRO
CN(C1CC[NH+](CCc2ccccn2)CC1)S(=O)(=O)c1ccc(C#N)o1	ZINC000286834898	999952316	/nfs/dbraw/zinc/95/23/16/999952316.db2.gz	JWXAQMDUFLUYIE-UHFFFAOYSA-N	1	0	374.466	1.874	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1)C(C)C	ZINC000287652069	999959083	/nfs/dbraw/zinc/95/90/83/999959083.db2.gz	AJLSEGYROUZXKV-QGZVFWFLSA-N	1	0	372.469	1.679	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	ZINC000288140337	999990369	/nfs/dbraw/zinc/99/03/69/999990369.db2.gz	WTNSXHZNAAQGMW-UHFFFAOYSA-N	1	0	363.502	1.586	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C	ZINC000288240345	1000000181	/nfs/dbraw/zinc/00/01/81/1000000181.db2.gz	SDEKHTBYZRUJQB-NVXWUHKLSA-N	1	0	355.438	1.722	20	30		FDEDRO
C#C[C@@H](NC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)C(C)(C)C	ZINC000288766368	1000045378	/nfs/dbraw/zinc/04/53/78/1000045378.db2.gz	ZKUJLEKQUQELDY-QGZVFWFLSA-N	1	0	358.486	1.825	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1	ZINC000288951794	1000062687	/nfs/dbraw/zinc/06/26/87/1000062687.db2.gz	OXZFWBAQJSXAPV-AEFFLSMTSA-N	1	0	355.482	1.985	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(CC(=O)N3CCO[C@H]4CCCC[C@@H]43)C2)nc1	ZINC000292328484	1000232137	/nfs/dbraw/zinc/23/21/37/1000232137.db2.gz	WFEBITBOXLBMCY-SQNIBIBYSA-N	1	0	370.453	1.576	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292537422	1000240934	/nfs/dbraw/zinc/24/09/34/1000240934.db2.gz	JEWUFUSTEUGRJF-KBRIMQKVSA-N	1	0	355.442	1.599	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)NCC[C@@H]3C[NH2+]C[C@H]3C)cc21	ZINC000927821439	1001081755	/nfs/dbraw/zinc/08/17/55/1001081755.db2.gz	PNVWPGRRHRYVAL-ZIAGYGMSSA-N	1	0	355.442	1.523	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000927841473	1001097416	/nfs/dbraw/zinc/09/74/16/1001097416.db2.gz	GPGFAKOGQXYCPU-SFHVURJKSA-N	1	0	355.479	1.419	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1Cl	ZINC000927847904	1001112589	/nfs/dbraw/zinc/11/25/89/1001112589.db2.gz	OLCKXUSGGVJNNC-JQWIXIFHSA-N	1	0	374.750	1.888	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1	ZINC000927850006	1001117351	/nfs/dbraw/zinc/11/73/51/1001117351.db2.gz	YDPDMKUCHKQCLX-RYUDHWBXSA-N	1	0	354.332	1.543	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12	ZINC000928100774	1001378264	/nfs/dbraw/zinc/37/82/64/1001378264.db2.gz	ZLPVZBMCULJJMM-LSDHHAIUSA-N	1	0	361.467	1.642	20	30		FDEDRO
C=CCOC(=O)[C@H](CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C)NC(=O)OC(C)(C)C	ZINC000928428727	1001518184	/nfs/dbraw/zinc/51/81/84/1001518184.db2.gz	SSDWSBDSCPYDLV-MJBXVCDLSA-N	1	0	369.462	1.208	20	30		FDEDRO
C=CCOC(=O)[C@H](CC(=O)N[C@H]1CC[N@H+](C)[C@H]1C)NC(=O)OC(C)(C)C	ZINC000928428724	1001518383	/nfs/dbraw/zinc/51/83/83/1001518383.db2.gz	SSDWSBDSCPYDLV-IHRRRGAJSA-N	1	0	369.462	1.208	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H](c2cccc(F)c2)N2CCOCC2)CC1	ZINC000928655891	1001611850	/nfs/dbraw/zinc/61/18/50/1001611850.db2.gz	BWPYLVKXYGQRKP-IBGZPJMESA-N	1	0	359.445	1.413	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CN2CCc3cc(OC)c(OC)cc3C2)CC1	ZINC000928656402	1001612041	/nfs/dbraw/zinc/61/20/41/1001612041.db2.gz	SYMGDJPVSLOYFU-UHFFFAOYSA-N	1	0	371.481	1.276	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1	ZINC000928656706	1001612494	/nfs/dbraw/zinc/61/24/94/1001612494.db2.gz	BXEGXWNWBYHLKW-CQSZACIVSA-N	1	0	359.857	1.907	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)/C(=C\c2ccc(F)cc2)n2nnnc2C)CC1	ZINC000928657190	1001612564	/nfs/dbraw/zinc/61/25/64/1001612564.db2.gz	QZQZYCWCDZIGRP-QGOAFFKASA-N	1	0	368.416	1.333	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)CC1	ZINC000928657168	1001612642	/nfs/dbraw/zinc/61/26/42/1001612642.db2.gz	PVFYKSIVOUJKCB-LJQANCHMSA-N	1	0	353.466	1.895	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1	ZINC000928657661	1001613086	/nfs/dbraw/zinc/61/30/86/1001613086.db2.gz	RUVYKDPBPGMSKK-UHFFFAOYSA-N	1	0	367.409	1.823	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccc(F)c(NS(C)(=O)=O)c2)CC1	ZINC000928658716	1001613959	/nfs/dbraw/zinc/61/39/59/1001613959.db2.gz	ZSDGOBKIPYUVGP-UHFFFAOYSA-N	1	0	353.419	1.025	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cc(OC)c(OCC)cc2[N+](=O)[O-])CC1	ZINC000928659600	1001615122	/nfs/dbraw/zinc/61/51/22/1001615122.db2.gz	TWICSZQMTABMKY-UHFFFAOYSA-N	1	0	361.398	1.830	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CCn2c3ccccc3n(CCC)c2=O)CC1	ZINC000928659621	1001615153	/nfs/dbraw/zinc/61/51/53/1001615153.db2.gz	UPQXLCGVVOPIOW-UHFFFAOYSA-N	1	0	368.481	1.817	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H](F)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000928661458	1001615890	/nfs/dbraw/zinc/61/58/90/1001615890.db2.gz	WXVGOBCNWAGWPZ-ZBFHGGJFSA-N	1	0	367.465	1.795	20	30		FDEDRO
C[NH+](C)CCn1cc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cn1	ZINC000928721056	1001636848	/nfs/dbraw/zinc/63/68/48/1001636848.db2.gz	JKNDKQKEDGDOPF-QGZVFWFLSA-N	1	0	367.457	1.428	20	30		FDEDRO
CCN(CC)S(=O)(=O)c1ccc(NC(=O)NCC#CC[NH+](C)C)cc1	ZINC000929153794	1001778053	/nfs/dbraw/zinc/77/80/53/1001778053.db2.gz	AINJAAVRMKIPJK-UHFFFAOYSA-N	1	0	366.487	1.404	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1ccc([C@@H]2C[C@@H]2C)o1)C1CC[NH+](C)CC1	ZINC000929379806	1001982245	/nfs/dbraw/zinc/98/22/45/1001982245.db2.gz	HMQUOWYSDTWMIR-WMLDXEAASA-N	1	0	357.454	1.575	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1)c1ccc(C#N)cc1	ZINC000929379568	1001982528	/nfs/dbraw/zinc/98/25/28/1001982528.db2.gz	MSTHEFZADBTTML-ZDUSSCGKSA-N	1	0	351.410	1.513	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC(=O)C(=O)NCc1cccc(C#N)c1)c1cccnc1	ZINC000929379616	1001982543	/nfs/dbraw/zinc/98/25/43/1001982543.db2.gz	FEBLICRKPUVBDD-GOSISDBHSA-N	1	0	365.437	1.379	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1ccc(COC)cc1)C1CC[NH+](C)CC1	ZINC000929392186	1001993568	/nfs/dbraw/zinc/99/35/68/1001993568.db2.gz	UAUJRJORXPEDDK-UHFFFAOYSA-N	1	0	357.454	1.005	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CC(=O)NC2CC2)CC1	ZINC000948385731	1002291901	/nfs/dbraw/zinc/29/19/01/1002291901.db2.gz	OZDUZCPGMBTTIR-KSZLIROESA-N	1	0	363.502	1.559	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC000948459410	1002365564	/nfs/dbraw/zinc/36/55/64/1002365564.db2.gz	FSNBGOXRMBQQGZ-KBRIMQKVSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1	ZINC000948475537	1002381380	/nfs/dbraw/zinc/38/13/80/1002381380.db2.gz	ORHHMONKXCALOK-ONIAQPFYSA-N	1	0	363.502	1.415	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC000948582377	1002472944	/nfs/dbraw/zinc/47/29/44/1002472944.db2.gz	ZUPGSSKFBTZTSM-KBRIMQKVSA-N	1	0	357.458	1.337	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2cc(C(=O)N(C)C)ccc2OC)CC1	ZINC000929863506	1002527594	/nfs/dbraw/zinc/52/75/94/1002527594.db2.gz	UQPJTCSIPZISSH-UHFFFAOYSA-N	1	0	358.442	1.616	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@H]([NH+](CC)CC)C1	ZINC000076666087	1002584443	/nfs/dbraw/zinc/58/44/43/1002584443.db2.gz	ZSQWPMUYDBDCHH-HNNXBMFYSA-N	1	0	361.417	1.719	20	30		FDEDRO
C=C(Cl)C[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC000948775789	1002663687	/nfs/dbraw/zinc/66/36/87/1002663687.db2.gz	QRASEIPTAAUMHU-HRCADAONSA-N	1	0	371.909	1.688	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1ccccc1N(C)CC)C1CC[NH+](C)CC1	ZINC000930000140	1002723124	/nfs/dbraw/zinc/72/31/24/1002723124.db2.gz	ZAYWVZPMLUFWBG-UHFFFAOYSA-N	1	0	370.497	1.315	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2nccc3c2CCCC3)CC1	ZINC000930006003	1002728820	/nfs/dbraw/zinc/72/88/20/1002728820.db2.gz	ABAOGEVQXARAEY-UHFFFAOYSA-N	1	0	356.470	1.343	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2nc3c(s2)CCC3)CC1	ZINC000930007698	1002731225	/nfs/dbraw/zinc/73/12/25/1002731225.db2.gz	WHQPFXJRLWEUGY-UHFFFAOYSA-N	1	0	362.499	1.057	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCN2CCc3ccccc32)CC1	ZINC000930009057	1002732327	/nfs/dbraw/zinc/73/23/27/1002732327.db2.gz	CGGDFEMLQAGIHI-UHFFFAOYSA-N	1	0	370.497	1.322	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[C@@H]2CCC(C)(C)CO2)CC1	ZINC000930010251	1002733433	/nfs/dbraw/zinc/73/34/33/1002733433.db2.gz	OCPHHXUTWRTFSF-KRWDZBQOSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C)C[C@@H]2CC(C)C)CC1	ZINC000930010297	1002734465	/nfs/dbraw/zinc/73/44/65/1002734465.db2.gz	PCGSSOCNAYEMBM-SFHVURJKSA-N	1	0	364.534	1.332	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3[nH]ccc3C)C[C@H]2C)CC1	ZINC000948828375	1002738943	/nfs/dbraw/zinc/73/89/43/1002738943.db2.gz	QFILGCBKEHWZFU-NVXWUHKLSA-N	1	0	356.470	1.245	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H]1CCc2ccc(C)cc21)C1CC[NH+](C)CC1	ZINC000930031136	1002749911	/nfs/dbraw/zinc/74/99/11/1002749911.db2.gz	HCGGBAKBKHTDGG-IBGZPJMESA-N	1	0	353.466	1.655	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2cc(F)cc(N3CCOCC3)c2)CC1	ZINC000930050695	1002766259	/nfs/dbraw/zinc/76/62/59/1002766259.db2.gz	ZEWDZAHZWISDKA-UHFFFAOYSA-N	1	0	360.433	1.881	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)NCCNc1ccc(C)cn1	ZINC000930126735	1002850445	/nfs/dbraw/zinc/85/04/45/1002850445.db2.gz	QFUQILVGTKVFRZ-UHFFFAOYSA-N	1	0	368.437	1.799	20	30		FDEDRO
COC(=O)CC1([NH2+]Cc2c(C)cc(C#N)cc2C)CCS(=O)(=O)CC1	ZINC000930248037	1002967485	/nfs/dbraw/zinc/96/74/85/1002967485.db2.gz	HNZBCFMVOHTYOT-UHFFFAOYSA-N	1	0	364.467	1.775	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1ccnc(OC(C)C)c1)C1CC[NH+](C)CC1	ZINC000930359418	1003051744	/nfs/dbraw/zinc/05/17/44/1003051744.db2.gz	YRQVRKBZAGATCF-UHFFFAOYSA-N	1	0	372.469	1.041	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1	ZINC000930368496	1003061942	/nfs/dbraw/zinc/06/19/42/1003061942.db2.gz	TWDCAIZCWRHYTI-OAHLLOKOSA-N	1	0	360.479	1.698	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](O)COCCOC)CCC1	ZINC001110987651	1003064939	/nfs/dbraw/zinc/06/49/39/1003064939.db2.gz	YXZGEPHYQGTDLU-XDNAFOTISA-N	1	0	366.502	1.478	20	30		FDEDRO
CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)NCC#CC[NH+](C)C)c1	ZINC000930412900	1003097695	/nfs/dbraw/zinc/09/76/95/1003097695.db2.gz	WYHQAWURZUNIQB-AWEZNQCLSA-N	1	0	366.487	1.450	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1	ZINC000930769717	1003489110	/nfs/dbraw/zinc/48/91/10/1003489110.db2.gz	RFGABXNMZVLUGC-BZSNNMDCSA-N	1	0	374.485	1.288	20	30		FDEDRO
CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C1	ZINC000930823876	1003551800	/nfs/dbraw/zinc/55/18/00/1003551800.db2.gz	XLSRQCLOAQJRAW-BDAKNGLRSA-N	1	0	372.256	1.935	20	30		FDEDRO
CCOC(=O)C1CCC(O)(C[C@H](O)C[N@@H+]2CCC[C@H](CC#N)C2)CC1	ZINC000930921067	1003664211	/nfs/dbraw/zinc/66/42/11/1003664211.db2.gz	AXOBWKDFHLGSII-XNGIKWSVSA-N	1	0	352.475	1.847	20	30		FDEDRO
COc1ccc(Cn2nccc2NC(=O)NCC#CC[NH+](C)C)c(OC)c1	ZINC000930948467	1003697297	/nfs/dbraw/zinc/69/72/97/1003697297.db2.gz	ZODZJKWXDQBIKS-UHFFFAOYSA-N	1	0	371.441	1.635	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3ccsc3)C2)CC1	ZINC000949864761	1003759089	/nfs/dbraw/zinc/75/90/89/1003759089.db2.gz	HGBXHGLOFAHICT-RHSMWYFYSA-N	1	0	359.495	1.670	20	30		FDEDRO
C#CCC[N@@H+](CCOC)C[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)C(=O)O1	ZINC000931071993	1003848343	/nfs/dbraw/zinc/84/83/43/1003848343.db2.gz	WFPJXRFQYKENEL-HNNXBMFYSA-N	1	0	366.458	1.511	20	30		FDEDRO
N#C[C@@H]1CC[C@H]([NH+]2CCN(CCNS(=O)(=O)c3ccccc3)CC2)C1	ZINC000931128020	1003908195	/nfs/dbraw/zinc/90/81/95/1003908195.db2.gz	WXZSWYLAAXOQPA-SJORKVTESA-N	1	0	362.499	1.275	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Nc1cc(F)c(F)cc1N1CCOCC1	ZINC000931398443	1004113804	/nfs/dbraw/zinc/11/38/04/1004113804.db2.gz	OSVRRGGMXWNQRO-UHFFFAOYSA-N	1	0	352.385	1.488	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)Nc1cccc(N2C(=O)N[C@H](CC)C2=O)c1	ZINC000931506163	1004225871	/nfs/dbraw/zinc/22/58/71/1004225871.db2.gz	RVXZXBGZROVAPH-MRXNPFEDSA-N	1	0	371.441	1.598	20	30		FDEDRO
C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCc1cc(C#N)ccc1F	ZINC000931594956	1004298997	/nfs/dbraw/zinc/29/89/97/1004298997.db2.gz	AQTVDJLRMWKKSV-CYBMUJFWSA-N	1	0	360.433	1.502	20	30		FDEDRO
COc1ccccc1C[C@@](C)(CO)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1	ZINC000931608493	1004312117	/nfs/dbraw/zinc/31/21/17/1004312117.db2.gz	ZGFOSFSAUYJXGF-NQIIRXRSSA-N	1	0	370.449	1.890	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)Nc1ccc(OC)c(S(C)(=O)=O)c1	ZINC000931733291	1004454540	/nfs/dbraw/zinc/45/45/40/1004454540.db2.gz	GGYIOVDCCXDZSD-UHFFFAOYSA-N	1	0	353.444	1.175	20	30		FDEDRO
C=CCC1(O)CC[NH+](C[C@H](O)CC2(O)CCC(C(=O)OCC)CC2)CC1	ZINC000931750344	1004472963	/nfs/dbraw/zinc/47/29/63/1004472963.db2.gz	HGKDIZYSYGNJKC-OHTSDLOESA-N	1	0	369.502	1.625	20	30		FDEDRO
C[C@]1([C@@H]2CCC[N@H+](C[C@H](O)COc3ccccc3C#N)C2)COC(=O)N1	ZINC000932022205	1004712023	/nfs/dbraw/zinc/71/20/23/1004712023.db2.gz	KCVAXEHDGSIPFS-JTDSTZFVSA-N	1	0	359.426	1.508	20	30		FDEDRO
C[C@]1([C@@H]2CCC[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)COC(=O)N1	ZINC000932025044	1004715243	/nfs/dbraw/zinc/71/52/43/1004715243.db2.gz	WOXXMEVIOMNCCI-OXFYSEKESA-N	1	0	368.437	1.874	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c3n(c(=O)n1C)CCCC3)C2	ZINC001111023249	1004761337	/nfs/dbraw/zinc/76/13/37/1004761337.db2.gz	ASTCPYPATDQVJV-OAGGEKHMSA-N	1	0	374.485	1.061	20	30		FDEDRO
CN(C(=O)C[NH+]1CCC([C@]2(C)COC(=O)N2)CC1)C1(C#N)CCCCC1	ZINC000932092018	1004765529	/nfs/dbraw/zinc/76/55/29/1004765529.db2.gz	QLSIFYAMMSWWBZ-SFHVURJKSA-N	1	0	362.474	1.882	20	30		FDEDRO
C[C@]1(C2CC[NH+](C[C@H](O)COc3ccccc3C#N)CC2)COC(=O)N1	ZINC000932099993	1004769782	/nfs/dbraw/zinc/76/97/82/1004769782.db2.gz	NEQRBYVUERHHJY-QFBILLFUSA-N	1	0	359.426	1.508	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)c2ccc3c(Br)cnn3c2)CC1	ZINC000932177837	1004810203	/nfs/dbraw/zinc/81/02/03/1004810203.db2.gz	DPJJPUBYOSOLPR-UHFFFAOYSA-N	1	0	362.231	1.815	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1C#N	ZINC000932474128	1004977000	/nfs/dbraw/zinc/97/70/00/1004977000.db2.gz	BAVPXSJXDQHGGM-SFHVURJKSA-N	1	0	372.469	1.052	20	30		FDEDRO
CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(C)c(C#N)c2)C1	ZINC000932475382	1004978068	/nfs/dbraw/zinc/97/80/68/1004978068.db2.gz	OAXOHIAVBVAQFQ-KRWDZBQOSA-N	1	0	356.470	1.673	20	30		FDEDRO
COc1ncc(NC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)cc1C#N	ZINC000932519846	1004998505	/nfs/dbraw/zinc/99/85/05/1004998505.db2.gz	RIMWYANBEDRSRX-UHFFFAOYSA-N	1	0	359.430	1.680	20	30		FDEDRO
CSCC1CC[NH+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1	ZINC000932587449	1005026290	/nfs/dbraw/zinc/02/62/90/1005026290.db2.gz	LDIZKABHQDBGMM-QGZVFWFLSA-N	1	0	352.548	1.754	20	30		FDEDRO
O=C1NCC[C@@H]1[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F	ZINC000932943335	1005260821	/nfs/dbraw/zinc/26/08/21/1005260821.db2.gz	UCWXZZVQDNAWEK-QYNIQEEDSA-N	1	0	352.225	1.978	20	30		FDEDRO
C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC(c2ccc(C#N)cc2)CC1	ZINC000933613488	1005588942	/nfs/dbraw/zinc/58/89/42/1005588942.db2.gz	ZAXKTBUETNINOF-BEFAXECRSA-N	1	0	368.481	1.850	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Br)C[C@H]1CS(N)(=O)=O	ZINC000933702735	1005613920	/nfs/dbraw/zinc/61/39/20/1005613920.db2.gz	RNYVYSHQKMCSPH-MFKMUULPSA-N	1	0	372.288	1.677	20	30		FDEDRO
Cn1cc([C@H]2CSCCC[N@@H+]2C[C@@H](O)CC2(C#N)CCOCC2)cn1	ZINC000933974846	1005669801	/nfs/dbraw/zinc/66/98/01/1005669801.db2.gz	XHBLTWAMAUTTEG-DLBZAZTESA-N	1	0	364.515	1.971	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1	ZINC000934213775	1005711656	/nfs/dbraw/zinc/71/16/56/1005711656.db2.gz	HMQUZWDCRRZWIC-UHFFFAOYSA-N	1	0	354.414	1.247	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCCOC	ZINC001111073479	1005736294	/nfs/dbraw/zinc/73/62/94/1005736294.db2.gz	MCPDTTZUPHYCDD-VQHPVUNQSA-N	1	0	354.491	1.334	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCOC34CCOCC4)C2=O)cc1	ZINC000934404375	1005741013	/nfs/dbraw/zinc/74/10/13/1005741013.db2.gz	RFTVSUGRONNTJM-ZWKOTPCHSA-N	1	0	355.438	1.981	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3ccncc3)C[C@H]2C)CC1	ZINC000947142087	1005783759	/nfs/dbraw/zinc/78/37/59/1005783759.db2.gz	RCZAXBSWOHZROH-CRAIPNDOSA-N	1	0	354.454	1.004	20	30		FDEDRO
C[C@@H]1CCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@@H](C(N)=O)C1	ZINC000778295315	1005837136	/nfs/dbraw/zinc/83/71/36/1005837136.db2.gz	YTFMSYAQMFRIRL-HACGYAERSA-N	1	0	363.421	1.809	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1	ZINC000935557239	1005933681	/nfs/dbraw/zinc/93/36/81/1005933681.db2.gz	SJOKRJJYPYYTKC-UHFFFAOYSA-N	1	0	372.469	1.870	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccnn1C	ZINC001111107446	1006084245	/nfs/dbraw/zinc/08/42/45/1006084245.db2.gz	VCNWFUQUGHFOOY-YRXWBPOGSA-N	1	0	373.501	1.155	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCOC	ZINC001111107499	1006085212	/nfs/dbraw/zinc/08/52/12/1006085212.db2.gz	WWEJBAOMZFKVCD-TVFCKZIOSA-N	1	0	351.491	1.605	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C)c1Cl)C2	ZINC001111165702	1006560212	/nfs/dbraw/zinc/56/02/12/1006560212.db2.gz	TWGIBXBVOMKQHD-BMFZPTHFSA-N	1	0	359.857	1.733	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1NC(=O)c3ccccc31)C2	ZINC001111170563	1006589961	/nfs/dbraw/zinc/58/99/61/1006589961.db2.gz	UUUXNDIFOHWYBE-FDPIWHGQSA-N	1	0	369.465	1.785	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2	ZINC001111179733	1006658585	/nfs/dbraw/zinc/65/85/85/1006658585.db2.gz	VPNFCTNOITUKNT-TVFCKZIOSA-N	1	0	362.518	1.131	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1	ZINC000954404699	1006722449	/nfs/dbraw/zinc/72/24/49/1006722449.db2.gz	LXOOTKGKVSCROJ-JQHSSLGASA-N	1	0	363.502	1.511	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)C2)CC1	ZINC000954500580	1006821285	/nfs/dbraw/zinc/82/12/85/1006821285.db2.gz	UVHRBWGJRVGBCG-QZTJIDSGSA-N	1	0	359.514	1.683	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1	ZINC000954772190	1007015407	/nfs/dbraw/zinc/01/54/07/1007015407.db2.gz	KEYUJSGVFRMEBE-FGTMMUONSA-N	1	0	365.518	1.613	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1CCCC)C2	ZINC001111262594	1007329672	/nfs/dbraw/zinc/32/96/72/1007329672.db2.gz	YNAQZVKKBHBGRY-YRXWBPOGSA-N	1	0	374.529	1.112	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)C2CC[NH+](C(C)C)CC2)C1	ZINC000955366782	1007393529	/nfs/dbraw/zinc/39/35/29/1007393529.db2.gz	XRZUTNGAQPORTR-MSOLQXFVSA-N	1	0	363.502	1.367	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C1	ZINC000955366673	1007394000	/nfs/dbraw/zinc/39/40/00/1007394000.db2.gz	WAPVLLOWUWMUBX-SJORKVTESA-N	1	0	363.502	1.511	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@](C)(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)c1	ZINC000957016546	1007544457	/nfs/dbraw/zinc/54/44/57/1007544457.db2.gz	VJMQQBNEKZMPKR-UEXGIBASSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)CCc3ccco3)C[C@H]2C)CC1	ZINC000947467014	1007617345	/nfs/dbraw/zinc/61/73/45/1007617345.db2.gz	IUZSRUDZQKHXSU-VQIMIIECSA-N	1	0	371.481	1.521	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C	ZINC000957086281	1007682591	/nfs/dbraw/zinc/68/25/91/1007682591.db2.gz	ZQFAIEWRTNFWBO-TWMKSMIVSA-N	1	0	361.486	1.027	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3cccc(C)n3)C[C@H]2C)CC1	ZINC000947589113	1007724737	/nfs/dbraw/zinc/72/47/37/1007724737.db2.gz	BQRCPBULGSNYDO-DNVCBOLYSA-N	1	0	368.481	1.312	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)C23CC[NH+](CC2)C3)C1	ZINC000957224370	1008013431	/nfs/dbraw/zinc/01/34/31/1008013431.db2.gz	MFXXCBYBEQFLGM-GJYPPUQNSA-N	1	0	361.486	1.171	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC(C)(NC(=O)c3cc(C#N)c[nH]3)CC2)CC[N@@H+]1C	ZINC000956333473	1008028178	/nfs/dbraw/zinc/02/81/78/1008028178.db2.gz	KQQLLRLOGSBXIZ-DOTOQJQBSA-N	1	0	371.485	1.728	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1(C)CCN(C(=O)[C@H](CC)[NH+](C)C)CC1	ZINC000956385983	1008077085	/nfs/dbraw/zinc/07/70/85/1008077085.db2.gz	XIFIDBFDJCWNRH-IKGGRYGDSA-N	1	0	365.518	1.805	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H]([NH2+]CC2CCS(=O)(=O)CC2)C1	ZINC000779416523	1009131367	/nfs/dbraw/zinc/13/13/67/1009131367.db2.gz	NZVIGQGSINBULE-ZIAGYGMSSA-N	1	0	357.476	1.160	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CCN2C(=O)C[C@@H]2C[C@H]2C2CC2)CC1	ZINC000950432387	1009165885	/nfs/dbraw/zinc/16/58/85/1009165885.db2.gz	PSBRZMWOEHGMPI-OTWHNJEPSA-N	1	0	357.498	1.485	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1cnnn1CC	ZINC000960010298	1009306017	/nfs/dbraw/zinc/30/60/17/1009306017.db2.gz	JPYSQNCGIGCDAJ-JQHSSLGASA-N	1	0	361.490	1.750	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C2C(C)(C)C2(C)C)C1	ZINC000950648578	1009468945	/nfs/dbraw/zinc/46/89/45/1009468945.db2.gz	RNQPWGVNJDEFHC-OAGGEKHMSA-N	1	0	359.514	1.729	20	30		FDEDRO
CCN(CC)[C@@H](CNC(NCCN1CCOCC1)=[NH+]C)c1ccccc1	ZINC000303690761	1009520881	/nfs/dbraw/zinc/52/08/81/1009520881.db2.gz	AAXDFXGWSBDZCN-IBGZPJMESA-N	1	0	361.534	1.567	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCOC	ZINC001111319893	1009580511	/nfs/dbraw/zinc/58/05/11/1009580511.db2.gz	LHKSQORZCCBCLN-AQNXPRMDSA-N	1	0	356.466	1.595	20	30		FDEDRO
CC[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCC(Nc2cc(C)ncc2C#N)CC1	ZINC001111321391	1009599113	/nfs/dbraw/zinc/59/91/13/1009599113.db2.gz	KYLHVJSNOPVSPL-CRAIPNDOSA-N	1	0	355.486	1.722	20	30		FDEDRO
C[C@H]1CN(c2ccc(CNC(=[NH2+])NCCc3ccccc3)cn2)CCO1	ZINC000303898830	1009682704	/nfs/dbraw/zinc/68/27/04/1009682704.db2.gz	RFVUKSUPBXFNME-INIZCTEOSA-N	1	0	353.470	1.954	20	30		FDEDRO
C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCCN1CC[NH2+]CC1	ZINC000647605702	1009773409	/nfs/dbraw/zinc/77/34/09/1009773409.db2.gz	ODKWHIIAYVKEAF-UHFFFAOYSA-N	1	0	369.469	1.462	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@H]2OCCN(C(=O)CC3CC[NH+](C)CC3)[C@H]2C1	ZINC000960382297	1010079184	/nfs/dbraw/zinc/07/91/84/1010079184.db2.gz	YRJOHSQNGUGSNK-DLBZAZTESA-N	1	0	363.502	1.369	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)Cc3ccccc3)C[C@H]2C)CC1	ZINC000951017114	1010293218	/nfs/dbraw/zinc/29/32/18/1010293218.db2.gz	FOUDFAFQDXSZMR-YLJYHZDGSA-N	1	0	367.493	1.537	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C	ZINC000959657361	1010391086	/nfs/dbraw/zinc/39/10/86/1010391086.db2.gz	UEKNFROAIAAJRH-FUHIMQAGSA-N	1	0	367.493	1.658	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C)nc1	ZINC000959659183	1010401856	/nfs/dbraw/zinc/40/18/56/1010401856.db2.gz	SDTIKRSNPCBEQD-CRAIPNDOSA-N	1	0	368.481	1.372	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2OCCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]2C1	ZINC000960663697	1010563284	/nfs/dbraw/zinc/56/32/84/1010563284.db2.gz	PLWQGQNUOKOQFC-SOUVJXGZSA-N	1	0	371.909	1.544	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000951460703	1010848611	/nfs/dbraw/zinc/84/86/11/1010848611.db2.gz	BTZHMFLMGLXIQQ-NXHRZFHOSA-N	1	0	368.437	1.646	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@H](C3CCN(C(=O)C#CC4CC4)CC3)C2)CC[N@@H+]1C	ZINC000952288882	1011566030	/nfs/dbraw/zinc/56/60/30/1011566030.db2.gz	ZYWYVFGTADNUNZ-LSTHTHJFSA-N	1	0	371.525	1.827	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@@H](O)C1	ZINC000963013900	1011758017	/nfs/dbraw/zinc/75/80/17/1011758017.db2.gz	YELIMMZYZDLLOU-OAGGEKHMSA-N	1	0	351.491	1.149	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC000952527955	1011805867	/nfs/dbraw/zinc/80/58/67/1011805867.db2.gz	OBBLQOBNBFXEOY-MXASKKJJSA-N	1	0	369.469	1.432	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC000963155108	1011932705	/nfs/dbraw/zinc/93/27/05/1011932705.db2.gz	PNXJONKPVOIVAV-UWIFEVILSA-N	1	0	369.469	1.432	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC000952724321	1011961951	/nfs/dbraw/zinc/96/19/51/1011961951.db2.gz	PFMFZDVOHMIJCP-MXASKKJJSA-N	1	0	369.469	1.432	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCc1nc(CC)no1)C2	ZINC001111406185	1012180948	/nfs/dbraw/zinc/18/09/48/1012180948.db2.gz	XUJSYIIRCPWYDG-OAGGEKHMSA-N	1	0	362.474	1.879	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CC[C@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)O1	ZINC000305778212	1012501644	/nfs/dbraw/zinc/50/16/44/1012501644.db2.gz	QLBZCXGWNNAMON-MFKMUULPSA-N	1	0	374.363	1.948	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1nncn1C)C2	ZINC000963814982	1012728858	/nfs/dbraw/zinc/72/88/58/1012728858.db2.gz	ABNVZOQYZDESSB-NFIWUILVSA-N	1	0	359.474	1.313	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc4nonc4c3)C[C@H]21	ZINC000961820091	1012887359	/nfs/dbraw/zinc/88/73/59/1012887359.db2.gz	XDDPZCCEBZCXHN-ZVPUSRDESA-N	1	0	354.410	1.360	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2cn(C(C)C)nn2)C1	ZINC000961854541	1012946384	/nfs/dbraw/zinc/94/63/84/1012946384.db2.gz	ZSFHNUKTZAKIJE-UQVLAFNGSA-N	1	0	361.490	1.825	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000192344484	178110867	/nfs/dbraw/zinc/11/08/67/178110867.db2.gz	BBSKQARYPGNTQH-DLBZAZTESA-N	1	0	355.442	1.053	20	30		FDEDRO
COc1ccc([C@@H](CO)[N@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)cc1	ZINC000226622910	178270666	/nfs/dbraw/zinc/27/06/66/178270666.db2.gz	AMLJEHZFXWLKMD-YLJYHZDGSA-N	1	0	356.422	1.972	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCC(OCCC[NH3+])CC2)cc1Cl	ZINC000237827506	178332301	/nfs/dbraw/zinc/33/23/01/178332301.db2.gz	FVLMKWZXKQHFCB-UHFFFAOYSA-N	1	0	357.863	1.730	20	30		FDEDRO
N#Cc1ccccc1S(=O)(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1	ZINC000245614281	178371293	/nfs/dbraw/zinc/37/12/93/178371293.db2.gz	LAZRXZOBKXERQP-ROUUACIJSA-N	1	0	371.462	1.472	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](CO)C[NH+]1CCCCC1	ZINC000512389332	538973768	/nfs/dbraw/zinc/97/37/68/538973768.db2.gz	JYSWOFCIZGMZPI-MJGOQNOKSA-N	1	0	359.470	1.925	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1	ZINC000513119077	538985970	/nfs/dbraw/zinc/98/59/70/538985970.db2.gz	UADYZERDYVQXRI-CYBMUJFWSA-N	1	0	372.404	1.725	20	30		FDEDRO
C=CCn1cc(CNC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)nn1	ZINC000516046575	539024798	/nfs/dbraw/zinc/02/47/98/539024798.db2.gz	WGLZXYJDXRADTP-UHFFFAOYSA-N	1	0	369.473	1.846	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CNS(=O)(=O)c2ccccc2)CC1	ZINC000517787476	539383045	/nfs/dbraw/zinc/38/30/45/539383045.db2.gz	QYGMSNWEGKRQFS-UHFFFAOYSA-N	1	0	351.472	1.122	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087198285	781925924	/nfs/dbraw/zinc/92/59/24/781925924.db2.gz	GHSTWTNFHJTALK-FHLIZLRMSA-N	1	0	369.469	1.299	20	30		FDEDRO
CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H]3CCN(c4sccc4C#N)C3=O)[C@@H]2C1	ZINC000520884180	539511911	/nfs/dbraw/zinc/51/19/11/539511911.db2.gz	MYOLLMAAIHPUNC-YVSFHVDLSA-N	1	0	372.494	1.962	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](NC(=O)N(C3CC3)[C@H]3CC[NH2+]C3)C2=O)cc1	ZINC000521986669	539525553	/nfs/dbraw/zinc/52/55/53/539525553.db2.gz	MTVGWICFDUAXOF-ZWKOTPCHSA-N	1	0	367.453	1.195	20	30		FDEDRO
CC[N@H+](C)C[C@H](O)CN1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000522010352	539531860	/nfs/dbraw/zinc/53/18/60/539531860.db2.gz	AUXYYPRBOGLYTM-KRWDZBQOSA-N	1	0	353.470	1.541	20	30		FDEDRO
Cn1c(Nc2cccc(C[NH+]3CCSCC3)c2)c(C#N)c(=O)n(C)c1=O	ZINC000264177320	179041632	/nfs/dbraw/zinc/04/16/32/179041632.db2.gz	XHASVVBTGSIQCC-UHFFFAOYSA-N	1	0	371.466	1.248	20	30		FDEDRO
N#Cc1nccnc1NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000264498729	179123424	/nfs/dbraw/zinc/12/34/24/179123424.db2.gz	VCUWCMATYJPWOZ-INIZCTEOSA-N	1	0	350.426	1.658	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1	ZINC000268455365	180086151	/nfs/dbraw/zinc/08/61/51/180086151.db2.gz	JNZBJHLVURGWDC-UHFFFAOYSA-N	1	0	368.441	1.204	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)CCCC(=O)Nc1ccccc1C#N	ZINC000269273198	180260436	/nfs/dbraw/zinc/26/04/36/180260436.db2.gz	HGFAALKPEZMSDE-MRXNPFEDSA-N	1	0	371.485	1.419	20	30		FDEDRO
C[C@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CCN1c1nccn2cnnc12	ZINC000269401558	180294791	/nfs/dbraw/zinc/29/47/91/180294791.db2.gz	ZBBGSIGXYJIYRW-WMLDXEAASA-N	1	0	363.425	1.240	20	30		FDEDRO
CN(C)C(=O)c1ccc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nn1	ZINC000269626465	180344522	/nfs/dbraw/zinc/34/45/22/180344522.db2.gz	DTBACYSESOAHCL-UHFFFAOYSA-N	1	0	364.453	1.762	20	30		FDEDRO
CCOC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C)cc1C#N	ZINC000269810553	180395551	/nfs/dbraw/zinc/39/55/51/180395551.db2.gz	MXXRHIXEJVPKOS-CQSZACIVSA-N	1	0	373.413	1.276	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1	ZINC000529331451	539821336	/nfs/dbraw/zinc/82/13/36/539821336.db2.gz	RVIHTEQXWJMRMN-BZSNNMDCSA-N	1	0	351.491	1.768	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCCN(c2cccnc2)C1=O	ZINC000530231543	539915825	/nfs/dbraw/zinc/91/58/25/539915825.db2.gz	JPTHHMASRXUPHP-MSOLQXFVSA-N	1	0	366.421	1.478	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)cc1OC	ZINC000268113547	674084424	/nfs/dbraw/zinc/08/44/24/674084424.db2.gz	ZXRMLZJPNGQHDY-WCQYABFASA-N	1	0	370.475	1.148	20	30		FDEDRO
C=CCCCCC[N@@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC	ZINC000268290876	674086824	/nfs/dbraw/zinc/08/68/24/674086824.db2.gz	DKKANUFYWIAEKL-UHFFFAOYSA-N	1	0	369.487	1.959	20	30		FDEDRO
C=CCOc1ccc(C[NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1	ZINC000530633595	540013228	/nfs/dbraw/zinc/01/32/28/540013228.db2.gz	GJKVJARXYGDAAL-GOSISDBHSA-N	1	0	359.470	1.274	20	30		FDEDRO
CCn1nccc1S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000274499237	181108045	/nfs/dbraw/zinc/10/80/45/181108045.db2.gz	RNFBFWGWEUZVND-UHFFFAOYSA-N	1	0	361.471	1.527	20	30		FDEDRO
COCCCCS(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000274672149	181142432	/nfs/dbraw/zinc/14/24/32/181142432.db2.gz	YEJIHQRYBLBDHK-UHFFFAOYSA-N	1	0	353.488	1.678	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000530769556	540039494	/nfs/dbraw/zinc/03/94/94/540039494.db2.gz	JNAMQCFBXMSTIP-KRWDZBQOSA-N	1	0	356.474	1.515	20	30		FDEDRO
CN1CCC[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1=O	ZINC000531127375	540082835	/nfs/dbraw/zinc/08/28/35/540082835.db2.gz	LLXDLHYDWBQHHO-SFHVURJKSA-N	1	0	369.469	1.396	20	30		FDEDRO
CCCc1[nH]nc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)c1[N+](=O)[O-]	ZINC000534062337	540320233	/nfs/dbraw/zinc/32/02/33/540320233.db2.gz	RGWXCDNDGURYNU-UHFFFAOYSA-N	1	0	360.378	1.269	20	30		FDEDRO
CCOc1ccc(NC(=O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)cc1	ZINC000534099514	540323652	/nfs/dbraw/zinc/32/36/52/540323652.db2.gz	ZFXHPBUQLRLYLN-UHFFFAOYSA-N	1	0	356.430	1.765	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(CNC(C)=O)s2)c1C#N	ZINC000534791423	540412401	/nfs/dbraw/zinc/41/24/01/540412401.db2.gz	ZBMRCOAENFUEMC-UHFFFAOYSA-N	1	0	360.443	1.383	20	30		FDEDRO
CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1ccccc1OCC(=O)N(C)C	ZINC000537051564	540678746	/nfs/dbraw/zinc/67/87/46/540678746.db2.gz	ZPSKVNPATPSECI-DOTOQJQBSA-N	1	0	374.485	1.955	20	30		FDEDRO
CC[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)C1CCOCC1	ZINC000537223224	540703176	/nfs/dbraw/zinc/70/31/76/540703176.db2.gz	FRAAISOBJBBWJJ-ZWKOTPCHSA-N	1	0	350.507	1.474	20	30		FDEDRO
C=CC[C@@H](CO)CNC(=O)NCc1ccccc1CN1CC[NH+](CC)CC1	ZINC000538184757	540822506	/nfs/dbraw/zinc/82/25/06/540822506.db2.gz	LKEUSDIXVJAWNS-GOSISDBHSA-N	1	0	374.529	1.808	20	30		FDEDRO
C=CC[C@H](CO)CNC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000538212091	540825844	/nfs/dbraw/zinc/82/58/44/540825844.db2.gz	BGTNQCWBQDZXAR-HKUYNNGSSA-N	1	0	360.502	1.459	20	30		FDEDRO
N#CC1(NC(=O)[C@@H](O)C2CCOCC2)CC[NH+](Cc2ccccc2)CC1	ZINC000538699962	540881636	/nfs/dbraw/zinc/88/16/36/540881636.db2.gz	YCJMLLOBGDBXJB-SFHVURJKSA-N	1	0	357.454	1.448	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCN(Cc2cccc(OCCCC#N)c2)CC1	ZINC000539820783	540998311	/nfs/dbraw/zinc/99/83/11/540998311.db2.gz	SYQVGXHVTMKFSV-UHFFFAOYSA-N	1	0	358.486	1.965	20	30		FDEDRO
C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1	ZINC000540369156	541051043	/nfs/dbraw/zinc/05/10/43/541051043.db2.gz	LASCCNDOIMJELL-GOSISDBHSA-N	1	0	373.497	1.954	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1	ZINC000542830248	541481288	/nfs/dbraw/zinc/48/12/88/541481288.db2.gz	ZCSBZRBVTMMRRG-AWEZNQCLSA-N	1	0	361.494	1.558	20	30		FDEDRO
C[C@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1C#N)[N@@H+]1CCCC[C@H]1C	ZINC000543753736	541653464	/nfs/dbraw/zinc/65/34/64/541653464.db2.gz	JKJAXVCWSJUQGJ-ZIAGYGMSSA-N	1	0	361.494	1.700	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc(C)[nH]c1=O)C(C)C	ZINC000544501871	541777741	/nfs/dbraw/zinc/77/77/41/541777741.db2.gz	VDSFMRJWCXPQRC-INIZCTEOSA-N	1	0	360.458	1.849	20	30		FDEDRO
CN1CCCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1	ZINC000283541457	182209986	/nfs/dbraw/zinc/20/99/86/182209986.db2.gz	NCXCZSQIQGZGAR-UHFFFAOYSA-N	1	0	358.261	1.647	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCC1CC[NH+](C)CC1	ZINC000545197736	541900179	/nfs/dbraw/zinc/90/01/79/541900179.db2.gz	GHVFIMTUYJKOMK-UHFFFAOYSA-N	1	0	353.430	1.911	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)NCc1cccc(C#N)c1)[N@H+](C)Cc1ccccc1	ZINC000284160377	182383137	/nfs/dbraw/zinc/38/31/37/182383137.db2.gz	XYXPKKLLBOTFOU-INIZCTEOSA-N	1	0	364.449	1.811	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1	ZINC000284172560	182388071	/nfs/dbraw/zinc/38/80/71/182388071.db2.gz	YWKUASRHSJGVJB-BZUAXINKSA-N	1	0	356.470	1.972	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)c1ccc(C#N)cc1	ZINC000284174559	182388858	/nfs/dbraw/zinc/38/88/58/182388858.db2.gz	ZBMHXISRBMNXPK-BEFAXECRSA-N	1	0	368.481	1.926	20	30		FDEDRO
CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(S(=O)(=O)c2ccc(F)c(C#N)c2)C1	ZINC000286539292	183091867	/nfs/dbraw/zinc/09/18/67/183091867.db2.gz	WMAVEFBFGBSQHM-GJZGRUSLSA-N	1	0	367.446	1.571	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C	ZINC000546612705	542182268	/nfs/dbraw/zinc/18/22/68/542182268.db2.gz	QKXFDMWBOHQNOB-GOEBONIOSA-N	1	0	365.441	2.148	20	30		FDEDRO
CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C[C@@H]1C	ZINC000546612245	542182427	/nfs/dbraw/zinc/18/24/27/542182427.db2.gz	HLLVGZCKOVNTAU-LSDHHAIUSA-N	1	0	367.457	2.394	20	30		FDEDRO
C[NH+]1CCN(Cc2ccc(CNS(=O)(=O)c3ccc(C#N)o3)cc2)CC1	ZINC000286685478	183128641	/nfs/dbraw/zinc/12/86/41/183128641.db2.gz	QGXKWSAPNIXDSW-UHFFFAOYSA-N	1	0	374.466	1.377	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1	ZINC000546708859	542206127	/nfs/dbraw/zinc/20/61/27/542206127.db2.gz	KDYPARDIKRTNDH-INIZCTEOSA-N	1	0	370.453	1.840	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1	ZINC000546707568	542206365	/nfs/dbraw/zinc/20/63/65/542206365.db2.gz	JAXKZNFQLKFTCX-UHFFFAOYSA-N	1	0	366.421	1.883	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)[NH+](C)C	ZINC000287550147	183320357	/nfs/dbraw/zinc/32/03/57/183320357.db2.gz	ULQXYROPRKGDQH-SECBINFHSA-N	1	0	353.220	1.326	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2cc(C#N)ccn2)cc1	ZINC000287657125	183348568	/nfs/dbraw/zinc/34/85/68/183348568.db2.gz	QPXLOEKLVUYOMD-UHFFFAOYSA-N	1	0	351.410	1.175	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1OC[C@H]2COCC[C@@H]21	ZINC000290701808	183696777	/nfs/dbraw/zinc/69/67/77/183696777.db2.gz	KAGSHFYMKRTBKR-CEXWTWQISA-N	1	0	357.454	1.500	20	30		FDEDRO
N#Cc1cc(Br)ccc1C(=O)NCCC[NH+]1CCC(O)CC1	ZINC000295022090	184028086	/nfs/dbraw/zinc/02/80/86/184028086.db2.gz	QVCIFWLXMRBXLS-UHFFFAOYSA-N	1	0	366.259	1.897	20	30		FDEDRO
COC(=O)Cn1cc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)nn1	ZINC000295755563	184101790	/nfs/dbraw/zinc/10/17/90/184101790.db2.gz	PUQIMIBDWPBXMF-UHFFFAOYSA-N	1	0	370.413	1.198	20	30		FDEDRO
COc1cc(C#N)ccc1OCCCC(=O)NCC[NH+]1CCC(O)CC1	ZINC000296792704	184201020	/nfs/dbraw/zinc/20/10/20/184201020.db2.gz	DMMZJGMQDFPEQV-UHFFFAOYSA-N	1	0	361.442	1.299	20	30		FDEDRO
CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1	ZINC000297994026	184370451	/nfs/dbraw/zinc/37/04/51/184370451.db2.gz	XGRVCMKTRSKEGU-MAUKXSAKSA-N	1	0	356.470	1.883	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1	ZINC000298010695	184374421	/nfs/dbraw/zinc/37/44/21/184374421.db2.gz	SLLKEQZZWONWPP-LJQANCHMSA-N	1	0	368.481	1.994	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)C[C@H]1CCCO1	ZINC000170663273	258264454	/nfs/dbraw/zinc/26/44/54/258264454.db2.gz	DOQXVFOHALMDBJ-QGZVFWFLSA-N	1	0	351.472	1.431	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@H+](C)C1CCCC1	ZINC000172311889	258273599	/nfs/dbraw/zinc/27/35/99/258273599.db2.gz	DYPOFKMRULULNK-UHFFFAOYSA-N	1	0	358.442	1.886	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)Cc3cc(C#N)ccc3F)[C@H]2C1	ZINC000549485199	542890783	/nfs/dbraw/zinc/89/07/83/542890783.db2.gz	YNFFZNPZUAZGOH-DLBZAZTESA-N	1	0	367.446	1.322	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCC[C@H]1C(C)(C)O)C(C)C	ZINC000551222516	543254738	/nfs/dbraw/zinc/25/47/38/543254738.db2.gz	QGYPNGGJQOPTMU-IRXDYDNUSA-N	1	0	365.518	1.563	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CSCC(=O)c2ccccc2)c1C#N	ZINC000551331272	543271736	/nfs/dbraw/zinc/27/17/36/543271736.db2.gz	MFKYUQXRIBMOBL-UHFFFAOYSA-N	1	0	371.466	1.988	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1	ZINC000552202274	543436879	/nfs/dbraw/zinc/43/68/79/543436879.db2.gz	OEXCIOANLKZOSL-NVXWUHKLSA-N	1	0	361.511	1.801	20	30		FDEDRO
N#Cc1cc(F)cc(C2(C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)CC2)c1	ZINC000552262050	543444538	/nfs/dbraw/zinc/44/45/38/543444538.db2.gz	CQZMEIHMSVJRRV-OAHLLOKOSA-N	1	0	357.429	1.910	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1	ZINC000553194028	543584812	/nfs/dbraw/zinc/58/48/12/543584812.db2.gz	ZEVHWLSAQFUPIZ-MJGOQNOKSA-N	1	0	373.497	1.817	20	30		FDEDRO
CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000077616422	172130085	/nfs/dbraw/zinc/13/00/85/172130085.db2.gz	CVHMNHVQIOLBMU-OAHLLOKOSA-N	1	0	350.488	1.110	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000088778791	172236936	/nfs/dbraw/zinc/23/69/36/172236936.db2.gz	AZIBIMHCYDTWEF-UHFFFAOYSA-N	1	0	352.822	1.235	20	30		FDEDRO
C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000091194074	172277286	/nfs/dbraw/zinc/27/72/86/172277286.db2.gz	XTUJABPYGQQDEP-CYBMUJFWSA-N	1	0	360.462	1.439	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)CC[C@@H]21	ZINC000091249297	172281869	/nfs/dbraw/zinc/28/18/69/172281869.db2.gz	FOOBCOYZGWWRBA-HIFRSBDPSA-N	1	0	372.473	1.391	20	30		FDEDRO
N#Cc1ccccc1N1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1	ZINC000101792568	172341756	/nfs/dbraw/zinc/34/17/56/172341756.db2.gz	QEPOYTFDPZNDBL-INIZCTEOSA-N	1	0	353.470	1.874	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000103492498	172368799	/nfs/dbraw/zinc/36/87/99/172368799.db2.gz	MUSUCIZMCOJSEQ-UHFFFAOYSA-N	1	0	371.485	1.373	20	30		FDEDRO
Cc1cccc(S(=O)(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)c1C#N	ZINC000122251795	172891234	/nfs/dbraw/zinc/89/12/34/172891234.db2.gz	NDCGECXGKAMXCT-QGZVFWFLSA-N	1	0	364.515	1.417	20	30		FDEDRO
CCOc1ccnc(N2CCC[N@H+](C[C@H](O)c3ccc(C#N)cc3)CC2)n1	ZINC000128620215	173114666	/nfs/dbraw/zinc/11/46/66/173114666.db2.gz	FVKFWYLVZRVRBE-SFHVURJKSA-N	1	0	367.453	1.993	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCn2cncc2C1	ZINC000131205966	173192903	/nfs/dbraw/zinc/19/29/03/173192903.db2.gz	FUDXOWSUDWBHJT-SFHVURJKSA-N	1	0	351.454	1.908	20	30		FDEDRO
C[C@H]1OCC[C@H]1S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000135550432	173348240	/nfs/dbraw/zinc/34/82/40/173348240.db2.gz	LJDTVPIZDHJGME-RHSMWYFYSA-N	1	0	351.472	1.429	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1C#N	ZINC000174702094	173953433	/nfs/dbraw/zinc/95/34/33/173953433.db2.gz	ZGZLLBLTSALPHU-UHFFFAOYSA-N	1	0	369.469	1.045	20	30		FDEDRO
CCc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCN(c3sccc3C#N)C1=O)CC2	ZINC000176789856	174087788	/nfs/dbraw/zinc/08/77/88/174087788.db2.gz	KQWCNVVJVOBRHK-QWHCGFSZSA-N	1	0	356.455	1.484	20	30		FDEDRO
Cc1sc(NC(=O)CN2CC[C@@H](C[NH+]3CCOCC3)C2)c(C#N)c1C	ZINC000177297003	174120375	/nfs/dbraw/zinc/12/03/75/174120375.db2.gz	ZSIJNIGKZUEZQC-HNNXBMFYSA-N	1	0	362.499	1.829	20	30		FDEDRO
Cc1sc(NC(=O)CN2CC[NH+](C[C@H]3CCOC3)CC2)c(C#N)c1C	ZINC000177374104	174126386	/nfs/dbraw/zinc/12/63/86/174126386.db2.gz	YDIDVSYQTNEUCR-OAHLLOKOSA-N	1	0	362.499	1.829	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1	ZINC000177986495	174166521	/nfs/dbraw/zinc/16/65/21/174166521.db2.gz	BDUIRDWYMUXLPG-MRXNPFEDSA-N	1	0	372.469	1.990	20	30		FDEDRO
CN(CCN(C)S(=O)(=O)c1ccc(F)c(C#N)c1)C1CC[NH+](C)CC1	ZINC000181072069	174205823	/nfs/dbraw/zinc/20/58/23/174205823.db2.gz	FGMUGYJOSVLSIN-UHFFFAOYSA-N	1	0	368.478	1.344	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)N1CCCN(c2ccccc2C#N)CC1	ZINC000173585088	258304537	/nfs/dbraw/zinc/30/45/37/258304537.db2.gz	JSCAQTXMVGKYOR-UHFFFAOYSA-N	1	0	373.501	1.748	20	30		FDEDRO
N#Cc1cccc(OC2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1	ZINC000173667109	258307047	/nfs/dbraw/zinc/30/70/47/258307047.db2.gz	JHVTXORFLRHPHF-MRXNPFEDSA-N	1	0	371.397	1.567	20	30		FDEDRO
C[NH+](C)CCN1C[C@H](C(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1=O	ZINC000173867089	258313146	/nfs/dbraw/zinc/31/31/46/258313146.db2.gz	AUZVSBBDGBUANI-QGZVFWFLSA-N	1	0	354.454	1.459	20	30		FDEDRO
C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)C1	ZINC000176559831	258324910	/nfs/dbraw/zinc/32/49/10/258324910.db2.gz	SUMGXSYUIAADOR-SJORKVTESA-N	1	0	356.474	1.658	20	30		FDEDRO
Cc1cccc(S(=O)(=O)N2CCC(N3CCO[C@H](C)C3)CC2)c1C#N	ZINC000178782891	258335203	/nfs/dbraw/zinc/33/52/03/258335203.db2.gz	KDPBPYWMDKGKND-OAHLLOKOSA-N	1	0	363.483	1.741	20	30		FDEDRO
CCc1nnc(C2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)[nH]1	ZINC000190643575	258389569	/nfs/dbraw/zinc/38/95/69/258389569.db2.gz	QWJIOJXJTTUBCI-MRXNPFEDSA-N	1	0	355.442	1.858	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCc2sc(C)nc2C)CC1	ZINC000553330325	543610849	/nfs/dbraw/zinc/61/08/49/543610849.db2.gz	FXDXTQJWUOYESS-UHFFFAOYSA-N	1	0	364.515	1.575	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2ccncc2CC)CC1	ZINC000553710785	543685465	/nfs/dbraw/zinc/68/54/65/543685465.db2.gz	DKBDECXGBLTECE-OAHLLOKOSA-N	1	0	358.486	1.978	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000554714978	543859121	/nfs/dbraw/zinc/85/91/21/543859121.db2.gz	DWRWAXWHDOJQOY-SJORKVTESA-N	1	0	351.491	1.295	20	30		FDEDRO
COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)c2cncc(C#N)c2)c1	ZINC000554952869	543896530	/nfs/dbraw/zinc/89/65/30/543896530.db2.gz	HMTNNCQOPNZHTB-UHFFFAOYSA-N	1	0	374.466	1.714	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)N2CCN(c3cnccc3C#N)CC2)C[N@@H+]1C1CC1	ZINC000555560347	543973898	/nfs/dbraw/zinc/97/38/98/543973898.db2.gz	YLJILBRCSVJTFH-GOEBONIOSA-N	1	0	354.458	1.410	20	30		FDEDRO
C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1	ZINC000555772207	544025932	/nfs/dbraw/zinc/02/59/32/544025932.db2.gz	RDVRXTXXYWJHOY-UHFFFAOYSA-N	1	0	370.453	1.017	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)c1ccc(C#N)cc1	ZINC000556037661	544079389	/nfs/dbraw/zinc/07/93/89/544079389.db2.gz	HMDHLYCEYNNDAZ-CRAIPNDOSA-N	1	0	372.469	1.305	20	30		FDEDRO
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C1CC1	ZINC000556514342	544151450	/nfs/dbraw/zinc/15/14/50/544151450.db2.gz	CDJIQRAQMGTRFW-WIBUTAKZSA-N	1	0	357.454	1.805	20	30		FDEDRO
N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)c1	ZINC000557040623	544237766	/nfs/dbraw/zinc/23/77/66/544237766.db2.gz	GNSUKTXCHZKMIA-KRWDZBQOSA-N	1	0	354.414	1.308	20	30		FDEDRO
COc1ccc([C@H](CCn2cncn2)[NH2+]CCn2cnc(C#N)n2)cc1	ZINC000557395501	544286804	/nfs/dbraw/zinc/28/68/04/544286804.db2.gz	ZJSWIIVSNJXFQA-INIZCTEOSA-N	1	0	352.402	1.171	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1	ZINC000557135010	544251194	/nfs/dbraw/zinc/25/11/94/544251194.db2.gz	OCSFJYDEROKMFK-ULQDDVLXSA-N	1	0	351.491	1.320	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)CSc3ccc(C#N)cc3)CC2)C1=O	ZINC000557497465	544300018	/nfs/dbraw/zinc/30/00/18/544300018.db2.gz	RNYKZGAVYPTFIV-QGZVFWFLSA-N	1	0	372.494	1.462	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2c2cccc(C)n2)CC1	ZINC000557731555	544338057	/nfs/dbraw/zinc/33/80/57/544338057.db2.gz	PBDOYGOCUHEELG-GOSISDBHSA-N	1	0	356.470	1.820	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1(C)C	ZINC000281865104	258684307	/nfs/dbraw/zinc/68/43/07/258684307.db2.gz	VTKQWAZXSXBRSR-UHFFFAOYSA-N	1	0	366.469	1.500	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCSC(CC)(CC)C2)CC1	ZINC000557730754	544337557	/nfs/dbraw/zinc/33/75/57/544337557.db2.gz	JJYZCXVFOAGCMQ-UHFFFAOYSA-N	1	0	353.532	1.887	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1	ZINC000558210783	544400326	/nfs/dbraw/zinc/40/03/26/544400326.db2.gz	PEOFWRUXOZDFAN-QAPCUYQASA-N	1	0	356.470	1.894	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1	ZINC000558225766	544401865	/nfs/dbraw/zinc/40/18/65/544401865.db2.gz	UEXGCHXYFIGBEI-INIZCTEOSA-N	1	0	374.485	1.384	20	30		FDEDRO
Cc1nc2ccccc2n1CC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000558273309	544406855	/nfs/dbraw/zinc/40/68/55/544406855.db2.gz	LUNFMRLWNGSBOB-UHFFFAOYSA-N	1	0	369.450	1.675	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H](C3CC3)[C@]3(CO)CCCO3)C2=O)cc1	ZINC000559465809	544697258	/nfs/dbraw/zinc/69/72/58/544697258.db2.gz	BYAMRPQZLAXTBT-IRFCIJBXSA-N	1	0	369.465	1.963	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1O)C(C)C	ZINC000559867144	544826643	/nfs/dbraw/zinc/82/66/43/544826643.db2.gz	KDNVJNLOVPBMCU-KZNAEPCWSA-N	1	0	365.518	1.563	20	30		FDEDRO
N#Cc1cc2c(nc1N1CCC([N@H+]3CCC[C@@H]3C(N)=O)CC1)CCCC2	ZINC000301948514	259036915	/nfs/dbraw/zinc/03/69/15/259036915.db2.gz	IAAOJXYDTVWJEQ-GOSISDBHSA-N	1	0	353.470	1.751	20	30		FDEDRO
N#Cc1ccc(NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)nn1	ZINC000301991251	259037215	/nfs/dbraw/zinc/03/72/15/259037215.db2.gz	MNVPDKVPHGDGQU-INIZCTEOSA-N	1	0	350.426	1.658	20	30		FDEDRO
CC1(C)CN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC[N@@H+]1CCO	ZINC000302562802	259043489	/nfs/dbraw/zinc/04/34/89/259043489.db2.gz	UXISDZDUKIFLOY-UHFFFAOYSA-N	1	0	355.398	1.908	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21	ZINC000329042658	259073981	/nfs/dbraw/zinc/07/39/81/259073981.db2.gz	TYMJNOOKBNQERY-IAGOWNOFSA-N	1	0	358.442	1.140	20	30		FDEDRO
Cn1cncc1[C@H]1[C@H](NC(=O)c2ccc(C#N)cc2)CCC(=O)N1C1CC1	ZINC000329055272	259074700	/nfs/dbraw/zinc/07/47/00/259074700.db2.gz	XOTVMCIDZNHWSZ-VQIMIIECSA-N	1	0	363.421	1.916	20	30		FDEDRO
C[C@@H]1CCN(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)C1	ZINC000330750343	259160781	/nfs/dbraw/zinc/16/07/81/259160781.db2.gz	UUSKRMTYJDPZRS-OAHLLOKOSA-N	1	0	350.488	1.508	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@H]1[NH+](C)C	ZINC000330755075	259161068	/nfs/dbraw/zinc/16/10/68/259161068.db2.gz	FWWSGJLOQKXGGT-OLZOCXBDSA-N	1	0	359.904	1.878	20	30		FDEDRO
CC(C)(C)c1csc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1C#N	ZINC000332133757	259243982	/nfs/dbraw/zinc/24/39/82/259243982.db2.gz	KJNHSSISXBGODC-NWDGAFQWSA-N	1	0	360.483	1.924	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)C2=O)cc1	ZINC000333530895	259357175	/nfs/dbraw/zinc/35/71/75/259357175.db2.gz	HXUFNDLWVXJDQR-PVAVHDDUSA-N	1	0	353.426	1.057	20	30		FDEDRO
Cc1cc(S(=O)(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)ccc1C#N	ZINC000333686125	259369469	/nfs/dbraw/zinc/36/94/69/259369469.db2.gz	PHWJAUMDCIZSQZ-MSOLQXFVSA-N	1	0	363.483	1.774	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000333825404	259385753	/nfs/dbraw/zinc/38/57/53/259385753.db2.gz	LNFZOUOLMHFJSO-RDTXWAMCSA-N	1	0	369.469	1.916	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1	ZINC000333920073	259393665	/nfs/dbraw/zinc/39/36/65/259393665.db2.gz	PQBXVKOIWVCNNS-GVDBMIGSSA-N	1	0	354.458	1.173	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(NC(=O)C3CCC3)CC2)cc1	ZINC000360194673	259427280	/nfs/dbraw/zinc/42/72/80/259427280.db2.gz	PNPAYYXJNNHBNT-GOSISDBHSA-N	1	0	357.454	1.679	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21	ZINC000362159792	259483929	/nfs/dbraw/zinc/48/39/29/259483929.db2.gz	IMSJHPNOGRDBHZ-GVDBMIGSSA-N	1	0	363.483	1.739	20	30		FDEDRO
CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000365074233	259810144	/nfs/dbraw/zinc/81/01/44/259810144.db2.gz	VFTQYEUTELZBFW-RTBURBONSA-N	1	0	368.481	1.849	20	30		FDEDRO
CN1CC[NH+](CC2CCN(Cc3cnc4ccc(C#N)cn34)CC2)CC1	ZINC000367671158	260075133	/nfs/dbraw/zinc/07/51/33/260075133.db2.gz	OIMGEYGZGOYABQ-UHFFFAOYSA-N	1	0	352.486	1.665	20	30		FDEDRO
CCn1nc2c(cc1=O)C[N@@H+](CCC(=O)Nc1sccc1C#N)CC2	ZINC000368540567	260198263	/nfs/dbraw/zinc/19/82/63/260198263.db2.gz	ZBPBDFUUHWBGKQ-UHFFFAOYSA-N	1	0	357.439	1.583	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CNC(=O)NCCn2cnc(C#N)n2)[C@@H]1c1cccs1	ZINC000368625140	260211849	/nfs/dbraw/zinc/21/18/49/260211849.db2.gz	PUYMWGQGYBAMIY-SWLSCSKDSA-N	1	0	359.459	1.203	20	30		FDEDRO
COC(=O)c1cn([C@H]2CCC[N@H+](CCOc3cccc(C#N)c3)C2)nn1	ZINC000368851617	260248581	/nfs/dbraw/zinc/24/85/81/260248581.db2.gz	AIYRVBKDLIMSCL-HNNXBMFYSA-N	1	0	355.398	1.652	20	30		FDEDRO
CC(C)N1N=C(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)CCC1=O	ZINC000369090927	260294225	/nfs/dbraw/zinc/29/42/25/260294225.db2.gz	UPXLQNGKTDWPGZ-UHFFFAOYSA-N	1	0	369.469	1.835	20	30		FDEDRO
CC[N@H+](CCO)CCNC(=O)N[C@@H]1CCCN(c2ccccc2C#N)C1	ZINC000372129415	260817855	/nfs/dbraw/zinc/81/78/55/260817855.db2.gz	WUDXLEHYDWTMGO-QGZVFWFLSA-N	1	0	359.474	1.140	20	30		FDEDRO
N#Cc1cccc(CS(=O)(=O)N2C[C@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)c1	ZINC000372178620	260825767	/nfs/dbraw/zinc/82/57/67/260825767.db2.gz	LJASQTJHPMRALR-MSOLQXFVSA-N	1	0	359.426	1.954	20	30		FDEDRO
C[C@@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)C1=CC[N@H+](C)CC1	ZINC000373397624	261007492	/nfs/dbraw/zinc/00/74/92/261007492.db2.gz	DWTLYVGXGBLZDL-CYBMUJFWSA-N	1	0	351.414	1.911	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC000373929384	261053389	/nfs/dbraw/zinc/05/33/89/261053389.db2.gz	OKGAPUTXZGQFOT-IAGOWNOFSA-N	1	0	366.469	1.893	20	30		FDEDRO
CCc1nc(CN2C[C@@H]3C[N@@H+](CCOc4ccccc4C#N)C[C@@H]3C2)no1	ZINC000373944816	261055512	/nfs/dbraw/zinc/05/55/12/261055512.db2.gz	HUKQKMAWBQRXRY-CALCHBBNSA-N	1	0	367.453	1.946	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)C(=O)Nc1cccc(C#N)c1	ZINC000374219202	261095966	/nfs/dbraw/zinc/09/59/66/261095966.db2.gz	HVPIYXNNPWQARV-WMLDXEAASA-N	1	0	350.426	1.934	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[N@H+]2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)cc1	ZINC000375511749	261358288	/nfs/dbraw/zinc/35/82/88/261358288.db2.gz	JNKJLWNOSGQSDV-CHWSQXEVSA-N	1	0	354.332	1.482	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)N2CCCN(c3ccc(C#N)cc3)CC2)C1	ZINC000377762643	261872993	/nfs/dbraw/zinc/87/29/93/261872993.db2.gz	QGGCVMFMTBKVMV-SFHVURJKSA-N	1	0	371.485	1.501	20	30		FDEDRO
C[C@@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1=O)c1ccc(C#N)cc1	ZINC000378576992	262048960	/nfs/dbraw/zinc/04/89/60/262048960.db2.gz	IOSLHQSOWCXFJT-APWZRJJASA-N	1	0	356.470	1.532	20	30		FDEDRO
N#Cc1ncn(CC[NH2+]Cc2ccc(I)cc2)n1	ZINC000294661482	676394635	/nfs/dbraw/zinc/39/46/35/676394635.db2.gz	AJWLQLHCFNOCDV-UHFFFAOYSA-N	1	0	353.167	1.544	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)[C@H](C[NH2+]Cc2ccccc2C#N)C1	ZINC001087202126	782062498	/nfs/dbraw/zinc/06/24/98/782062498.db2.gz	QIDLRKYTBBZIAG-AYOQOUSVSA-N	1	0	368.481	1.753	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N2CCN(C)[C@H](c3nc(C4CC4)no3)C2)CC[N@@H+]1C	ZINC000329039931	782075647	/nfs/dbraw/zinc/07/56/47/782075647.db2.gz	HWVUEUCYFOYNQP-YUELXQCFSA-N	1	0	362.478	1.632	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cnn(-c3cccnc3)c2)c1C#N	ZINC000534063730	490315090	/nfs/dbraw/zinc/31/50/90/490315090.db2.gz	HIGXDGYJHVNWSW-UHFFFAOYSA-N	1	0	350.386	1.266	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@@]2(C3CCCC3)CCNC2=O)c1C#N	ZINC000600815764	491884260	/nfs/dbraw/zinc/88/42/60/491884260.db2.gz	YIJCSJONDYSZKG-GOSISDBHSA-N	1	0	358.446	1.068	20	30		FDEDRO
Cn1cc(C#N)c(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)n1	ZINC000610876852	492265822	/nfs/dbraw/zinc/26/58/22/492265822.db2.gz	RLUHTCJHCVJYTL-SJORKVTESA-N	1	0	368.441	1.296	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)c1	ZINC000027756276	519197088	/nfs/dbraw/zinc/19/70/88/519197088.db2.gz	BQFXPTTZZGZDQX-HNNXBMFYSA-N	1	0	363.483	1.202	20	30		FDEDRO
CC(=O)N1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1	ZINC000028892744	519254987	/nfs/dbraw/zinc/25/49/87/519254987.db2.gz	UUPQJPBEDKCEIY-UHFFFAOYSA-N	1	0	360.483	1.991	20	30		FDEDRO
C[NH+]1CCN(c2ccc(NC(=O)COc3ccccc3C#N)cn2)CC1	ZINC000030030909	519345231	/nfs/dbraw/zinc/34/52/31/519345231.db2.gz	XFBTXJHEYHYUNL-UHFFFAOYSA-N	1	0	351.410	1.723	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000041923468	519672420	/nfs/dbraw/zinc/67/24/20/519672420.db2.gz	HUNGRDFETWYZPQ-UHFFFAOYSA-N	1	0	352.822	1.235	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1	ZINC000042596085	519697566	/nfs/dbraw/zinc/69/75/66/519697566.db2.gz	TXGCLGTVKVHSNT-SJORKVTESA-N	1	0	351.491	1.370	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)C[NH2+]C2(CO)CCOCC2)cc1	ZINC000069248431	521840467	/nfs/dbraw/zinc/84/04/67/521840467.db2.gz	YZWQKWOYZGWUAU-UHFFFAOYSA-N	1	0	361.442	1.463	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)NCC1([NH+]2CCSCC2)CCCCC1	ZINC000069870321	521967756	/nfs/dbraw/zinc/96/77/56/521967756.db2.gz	GEVLYINYIFZCLC-UHFFFAOYSA-N	1	0	360.549	1.418	20	30		FDEDRO
CN1CC[NH+](CC2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)CC1	ZINC000057066096	521994677	/nfs/dbraw/zinc/99/46/77/521994677.db2.gz	KQQYPJQVMJIFQH-UHFFFAOYSA-N	1	0	354.498	1.977	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](CCSC)c2nnc3ccccn32)CC1	ZINC000057153629	522016332	/nfs/dbraw/zinc/01/63/32/522016332.db2.gz	ZYPJSNMNFXTSLL-INIZCTEOSA-N	1	0	371.510	1.985	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCCC[NH+]2CCCC2)CC1	ZINC000045121600	522041170	/nfs/dbraw/zinc/04/11/70/522041170.db2.gz	UAWYSNUXUZLEME-UHFFFAOYSA-N	1	0	372.473	1.741	20	30		FDEDRO
C[C@@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1nnc2ccccn21	ZINC000070869525	522045822	/nfs/dbraw/zinc/04/58/22/522045822.db2.gz	OHAGWFKUGFNIDR-ZBFHGGJFSA-N	1	0	351.410	1.886	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@H](C)[N@H+](C)C1CC1	ZINC000057713709	522141393	/nfs/dbraw/zinc/14/13/93/522141393.db2.gz	TYQJGFMFSJWGBE-GFCCVEGCSA-N	1	0	354.458	1.749	20	30		FDEDRO
COCCN(CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(C#N)cc1	ZINC000058397621	522254904	/nfs/dbraw/zinc/25/49/04/522254904.db2.gz	HXTQHZNWPROBDR-UHFFFAOYSA-N	1	0	370.497	1.750	20	30		FDEDRO
CC[NH+](CC)CC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N	ZINC000059584570	522339179	/nfs/dbraw/zinc/33/91/79/522339179.db2.gz	GFDAMZCBRUNIDC-UHFFFAOYSA-N	1	0	372.448	1.856	20	30		FDEDRO
CC[C@@H](CO)[NH+]1CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1	ZINC000072798544	522386383	/nfs/dbraw/zinc/38/63/83/522386383.db2.gz	KEKDXLXPGOYSSP-ROUUACIJSA-N	1	0	358.486	1.710	20	30		FDEDRO
COCCN(Cc1ccc(C#N)cc1)C(=O)NCCC[N@H+](C)CCOC	ZINC000060546797	522397033	/nfs/dbraw/zinc/39/70/33/522397033.db2.gz	SBBYGNNLCQEQJY-UHFFFAOYSA-N	1	0	362.474	1.685	20	30		FDEDRO
C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1	ZINC000072945128	522430934	/nfs/dbraw/zinc/43/09/34/522430934.db2.gz	HBMHQLHQPPANLE-GJZGRUSLSA-N	1	0	359.474	1.046	20	30		FDEDRO
N#CCOc1ccc(/C=C/C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1	ZINC000072956609	522432519	/nfs/dbraw/zinc/43/25/19/522432519.db2.gz	DFRNUBPIWVSHFP-VMPITWQZSA-N	1	0	368.481	1.842	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCCC[NH+](CC)CC)cc1	ZINC000047157308	522460121	/nfs/dbraw/zinc/46/01/21/522460121.db2.gz	VJQPWEDQIWDFCN-UHFFFAOYSA-N	1	0	353.488	1.613	20	30		FDEDRO
C[C@H](NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)c1ccc(C#N)cc1	ZINC000073249487	522498620	/nfs/dbraw/zinc/49/86/20/522498620.db2.gz	DLIDAUITAOBRQP-ZDUSSCGKSA-N	1	0	360.377	1.955	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)CC(=O)N3)CC1	ZINC000073253647	522499810	/nfs/dbraw/zinc/49/98/10/522499810.db2.gz	IGIMTLMEUQTGFC-UHFFFAOYSA-N	1	0	356.426	1.276	20	30		FDEDRO
CC[NH+]1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1	ZINC000073599584	522558515	/nfs/dbraw/zinc/55/85/15/522558515.db2.gz	OONIYZPOVYKGHQ-UHFFFAOYSA-N	1	0	353.388	1.811	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)NCc3ccc(C#N)cc3)ccn2)CC1	ZINC000048870396	522789058	/nfs/dbraw/zinc/78/90/58/522789058.db2.gz	NBAXOZJZPCGVDZ-UHFFFAOYSA-N	1	0	364.453	1.704	20	30		FDEDRO
C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)Nc2nncs2)CC1	ZINC000050076507	522879581	/nfs/dbraw/zinc/87/95/81/522879581.db2.gz	PJQHSAHBLMMQJP-UHFFFAOYSA-N	1	0	368.507	1.500	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000050165555	522895307	/nfs/dbraw/zinc/89/53/07/522895307.db2.gz	BXDXGAJHTVSYOI-GASCZTMLSA-N	1	0	372.469	1.990	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1	ZINC000050202811	522898973	/nfs/dbraw/zinc/89/89/73/522898973.db2.gz	WUBUUSQJYGSLCG-MRXNPFEDSA-N	1	0	370.453	1.981	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CNC(=O)OC(C)(C)C	ZINC000065930349	522922388	/nfs/dbraw/zinc/92/23/88/522922388.db2.gz	FKQGQWPMSCQBLF-UHFFFAOYSA-N	1	0	360.458	1.973	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1	ZINC000076301381	523073446	/nfs/dbraw/zinc/07/34/46/523073446.db2.gz	LUPGYZGUMLFUPP-UHFFFAOYSA-N	1	0	361.417	1.767	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)NCCCCC)CC1	ZINC000051802453	523080959	/nfs/dbraw/zinc/08/09/59/523080959.db2.gz	FGDKWYFTNCHOPL-CQSZACIVSA-N	1	0	352.479	1.405	20	30		FDEDRO
C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000076602160	523145559	/nfs/dbraw/zinc/14/55/59/523145559.db2.gz	BIGWNNRDYCOUGA-SNVBAGLBSA-N	1	0	354.357	1.555	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCN(c2ccc(OC)cc2)CC1	ZINC000052466787	523180367	/nfs/dbraw/zinc/18/03/67/523180367.db2.gz	DDEHXFIGQLIGHE-HNNXBMFYSA-N	1	0	360.458	1.608	20	30		FDEDRO
CC(C)[NH+](CCNC(=O)N1CCN(c2ccc(C#N)cn2)CC1)C(C)C	ZINC000052498023	523185348	/nfs/dbraw/zinc/18/53/48/523185348.db2.gz	ARNYQZOLIUJLSL-UHFFFAOYSA-N	1	0	358.490	1.904	20	30		FDEDRO
COc1ccc(C)cc1N1C[C@@H](C(=O)NC2(C#N)CC[NH+](C)CC2)CC1=O	ZINC000077037826	523240031	/nfs/dbraw/zinc/24/00/31/523240031.db2.gz	DOQJGEBOEBZNPF-HNNXBMFYSA-N	1	0	370.453	1.461	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(NC(=O)c3ccsc3)CC2)CC1	ZINC000066922135	523267647	/nfs/dbraw/zinc/26/76/47/523267647.db2.gz	CZTITUTYTAUCQP-UHFFFAOYSA-N	1	0	359.495	1.814	20	30		FDEDRO
C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ncn(Cc2ccccc2)n1	ZINC000077706169	523423305	/nfs/dbraw/zinc/42/33/05/523423305.db2.gz	RKQMVWCDFWMASB-OAHLLOKOSA-N	1	0	370.457	1.905	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1cc(CC)nn1C)C(C)C	ZINC000077707084	523424061	/nfs/dbraw/zinc/42/40/61/523424061.db2.gz	BSPVCWFEZFMMOC-MRXNPFEDSA-N	1	0	361.490	1.736	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(C(=O)N3CCCC3)CC2)cc1	ZINC000054171875	523586435	/nfs/dbraw/zinc/58/64/35/523586435.db2.gz	PFSGUENEXUBYOE-IBGZPJMESA-N	1	0	371.481	1.827	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCC1	ZINC000054850589	523708647	/nfs/dbraw/zinc/70/86/47/523708647.db2.gz	NLPYBTCFRJPJDE-CQSZACIVSA-N	1	0	358.442	1.884	20	30		FDEDRO
C[C@@H](CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)[N@H+](C)C1CC1	ZINC000068196103	523726643	/nfs/dbraw/zinc/72/66/43/523726643.db2.gz	OTIGYBAWKWWVTJ-AWEZNQCLSA-N	1	0	363.483	1.977	20	30		FDEDRO
C[C@@H]1Oc2ccccc2N(CCC(=O)N(CCC#N)CCC[NH+](C)C)C1=O	ZINC000068225704	523737020	/nfs/dbraw/zinc/73/70/20/523737020.db2.gz	HJISDWIFGRCXDP-INIZCTEOSA-N	1	0	372.469	1.885	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1	ZINC000068347770	523764307	/nfs/dbraw/zinc/76/43/07/523764307.db2.gz	DMXPAOOAHANEED-UHFFFAOYSA-N	1	0	358.895	1.794	20	30		FDEDRO
N#CCSc1cccc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1	ZINC000079541597	523765039	/nfs/dbraw/zinc/76/50/39/523765039.db2.gz	XQSWTHSIOLBYKX-UHFFFAOYSA-N	1	0	372.494	1.682	20	30		FDEDRO
C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1	ZINC000172292014	524193167	/nfs/dbraw/zinc/19/31/67/524193167.db2.gz	GNWOEHXZLHVITD-OAHLLOKOSA-N	1	0	358.442	1.718	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NCC[NH+]2CCCC2)c1	ZINC000172303124	524196035	/nfs/dbraw/zinc/19/60/35/524196035.db2.gz	RDTQSZMHXGNPTA-UHFFFAOYSA-N	1	0	352.341	1.310	20	30		FDEDRO
COc1cc(C#N)ccc1CN1CCN(c2ncccc2C(N)=O)CC1	ZINC000121346018	524227417	/nfs/dbraw/zinc/22/74/17/524227417.db2.gz	YCFPIVPDKMEJQX-UHFFFAOYSA-N	1	0	351.410	1.383	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@@H](O)COc1ccccc1Cl	ZINC000121460327	524264612	/nfs/dbraw/zinc/26/46/12/524264612.db2.gz	BPPQAVKKICKGQI-GFCCVEGCSA-N	1	0	363.849	1.821	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2CC)c1	ZINC000111353402	524270845	/nfs/dbraw/zinc/27/08/45/524270845.db2.gz	TVRRZTKRIKZNRY-MRXNPFEDSA-N	1	0	365.499	1.755	20	30		FDEDRO
CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1nn(C(C)C)cc1C#N	ZINC000121707729	524335332	/nfs/dbraw/zinc/33/53/32/524335332.db2.gz	VEDOQXYYNHSOSC-UHFFFAOYSA-N	1	0	362.478	1.855	20	30		FDEDRO
C[NH+]=C(NCCNS(C)(=O)=O)NC1CCC(c2ccccc2)CC1	ZINC000085503512	524362257	/nfs/dbraw/zinc/36/22/57/524362257.db2.gz	SCRSGIACDCQMSY-UHFFFAOYSA-N	1	0	352.504	1.427	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1	ZINC000112219084	524427580	/nfs/dbraw/zinc/42/75/80/524427580.db2.gz	JTRHDOWYRGHVLI-MRXNPFEDSA-N	1	0	356.426	1.068	20	30		FDEDRO
CC[NH+]1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1	ZINC000173737192	524448510	/nfs/dbraw/zinc/44/85/10/524448510.db2.gz	YPZYRALJYFGSIX-LJQANCHMSA-N	1	0	373.476	1.172	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21	ZINC000122106896	524452717	/nfs/dbraw/zinc/45/27/17/524452717.db2.gz	HXVWUZMKHUMCKS-RHSMWYFYSA-N	1	0	373.428	1.719	20	30		FDEDRO
CS(=O)(=O)N[C@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1	ZINC000122199835	524476665	/nfs/dbraw/zinc/47/66/65/524476665.db2.gz	BXBAECCSHCIZMY-ZDUSSCGKSA-N	1	0	362.373	1.560	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1	ZINC000089313525	524488070	/nfs/dbraw/zinc/48/80/70/524488070.db2.gz	URGAXFNLEBUTNU-GOSISDBHSA-N	1	0	353.466	1.497	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCCN(c3cc(CC)ncn3)C2)CC1	ZINC000112498444	524491831	/nfs/dbraw/zinc/49/18/31/524491831.db2.gz	MYFPMRJKEKLIBO-SFHVURJKSA-N	1	0	355.486	1.469	20	30		FDEDRO
C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)N1CCN(c2ncccn2)CC1	ZINC000112525247	524499850	/nfs/dbraw/zinc/49/98/50/524499850.db2.gz	JPRUEDSDYFYRRF-JKSUJKDBSA-N	1	0	364.453	1.736	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1	ZINC000122331853	524512452	/nfs/dbraw/zinc/51/24/52/524512452.db2.gz	HNHJVAUTQXDSGV-DZGCQCFKSA-N	1	0	372.473	1.391	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)C2=Cc3cccc(OC)c3OC2)c1C#N	ZINC000089675859	524520518	/nfs/dbraw/zinc/52/05/18/524520518.db2.gz	HNTXYCCHNWEOAM-UHFFFAOYSA-N	1	0	367.409	1.856	20	30		FDEDRO
CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000174168784	524523915	/nfs/dbraw/zinc/52/39/15/524523915.db2.gz	LCMNFOYXZIEQHY-QGZVFWFLSA-N	1	0	352.442	1.882	20	30		FDEDRO
N#CCOc1cccc(CC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1	ZINC000089830366	524534022	/nfs/dbraw/zinc/53/40/22/524534022.db2.gz	PKKPDWQSHFWODY-QGZVFWFLSA-N	1	0	357.454	1.749	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1c(C)c(C)nn1C)C(C)C	ZINC000151212569	524538820	/nfs/dbraw/zinc/53/88/20/524538820.db2.gz	SKQKZLIHVAFFHT-INIZCTEOSA-N	1	0	361.490	1.790	20	30		FDEDRO
COCc1ccccc1CNC(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000089942729	524553759	/nfs/dbraw/zinc/55/37/59/524553759.db2.gz	YLBSIBKXOBQLAD-UHFFFAOYSA-N	1	0	370.457	1.191	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NCCN(C)S(=O)(=O)c2cccs2)cc1	ZINC000151408161	524566183	/nfs/dbraw/zinc/56/61/83/524566183.db2.gz	WYXBLBSGUKWQNR-UHFFFAOYSA-N	1	0	368.484	1.804	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)COc2ccc(C#N)cc2OC)CC1	ZINC000112922698	524601831	/nfs/dbraw/zinc/60/18/31/524601831.db2.gz	NENGQQBQTUGGBC-INIZCTEOSA-N	1	0	374.485	1.335	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)cc1	ZINC000174495808	524604986	/nfs/dbraw/zinc/60/49/86/524604986.db2.gz	XDWUGUQMRKVKOO-HNNXBMFYSA-N	1	0	365.499	1.565	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1	ZINC000174634425	524665825	/nfs/dbraw/zinc/66/58/25/524665825.db2.gz	JEHAGSYDQDKDBA-CQSZACIVSA-N	1	0	361.417	1.624	20	30		FDEDRO
CCC[NH+]1CCC(CNC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CC1	ZINC000091236948	524673804	/nfs/dbraw/zinc/67/38/04/524673804.db2.gz	BOLWBIDCZYBQSB-UHFFFAOYSA-N	1	0	360.462	1.512	20	30		FDEDRO
CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C1	ZINC000091242063	524677195	/nfs/dbraw/zinc/67/71/95/524677195.db2.gz	FTZJECSBDOXBFA-AWEZNQCLSA-N	1	0	360.462	1.464	20	30		FDEDRO
C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1	ZINC000091279990	524686699	/nfs/dbraw/zinc/68/66/99/524686699.db2.gz	YRPRLPCOOXVGFE-HNNXBMFYSA-N	1	0	358.442	1.766	20	30		FDEDRO
C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC(C)(CO)CO	ZINC000159542865	524692885	/nfs/dbraw/zinc/69/28/85/524692885.db2.gz	VWHPNQILHCJIAX-UHFFFAOYSA-N	1	0	351.472	1.360	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1	ZINC000123312605	524725408	/nfs/dbraw/zinc/72/54/08/524725408.db2.gz	VYQYEUMZSVAZCC-MRXNPFEDSA-N	1	0	355.438	1.581	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(C)nc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000114086718	524741817	/nfs/dbraw/zinc/74/18/17/524741817.db2.gz	BPWJGMZKECGHOF-KRWDZBQOSA-N	1	0	359.474	1.179	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@]2(CO)CCc3ccccc32)CC1	ZINC000091631745	524747666	/nfs/dbraw/zinc/74/76/66/524747666.db2.gz	UHBIRJKFXFVYII-FPOVZHCZSA-N	1	0	370.497	1.102	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCCNC(=O)NCCOc2ccc(C#N)cc2)C[C@H](C)O1	ZINC000174856047	524763554	/nfs/dbraw/zinc/76/35/54/524763554.db2.gz	FSBHLMCGCPWWHL-IYBDPMFKSA-N	1	0	360.458	1.736	20	30		FDEDRO
CC[NH+]1CCN(CC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1	ZINC000092046112	524836705	/nfs/dbraw/zinc/83/67/05/524836705.db2.gz	ANJNYARZTYNVFT-UHFFFAOYSA-N	1	0	371.485	1.397	20	30		FDEDRO
CC(C)C(=O)N1CCC([NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000114746964	524869954	/nfs/dbraw/zinc/86/99/54/524869954.db2.gz	WXDOTVGAJMPEKW-GOSISDBHSA-N	1	0	354.454	1.900	20	30		FDEDRO
CC(C)COC1CC[NH+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1	ZINC000092618140	524899907	/nfs/dbraw/zinc/89/99/07/524899907.db2.gz	OBYFAOBLUCRNAP-LJQANCHMSA-N	1	0	364.534	1.816	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@H]([NH+]3CCCC3)C2)CC1	ZINC000092617507	524901886	/nfs/dbraw/zinc/90/18/86/524901886.db2.gz	FJBMYRBSBRIKRG-OALUTQOASA-N	1	0	361.534	1.239	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](CC(N)=O)C2)c(OC)c1	ZINC000175211753	524904721	/nfs/dbraw/zinc/90/47/21/524904721.db2.gz	WPVVNFCOLRRTAS-SJORKVTESA-N	1	0	362.470	1.751	20	30		FDEDRO
CC(C)(Oc1ccc(C#N)cc1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC000160865579	524986979	/nfs/dbraw/zinc/98/69/79/524986979.db2.gz	HFJNHUUZWBMFCX-MRXNPFEDSA-N	1	0	372.469	1.419	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1	ZINC000124465452	524996461	/nfs/dbraw/zinc/99/64/61/524996461.db2.gz	HNQUTVFHRKYRCE-HNNXBMFYSA-N	1	0	355.438	1.318	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c1	ZINC000124558509	525020053	/nfs/dbraw/zinc/02/00/53/525020053.db2.gz	QTFSAAVLXKVXMK-GOEBONIOSA-N	1	0	351.472	1.398	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CC1	ZINC000175980263	525037289	/nfs/dbraw/zinc/03/72/89/525037289.db2.gz	MGEAGBRQKZSJMK-OAHLLOKOSA-N	1	0	370.453	1.664	20	30		FDEDRO
COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)CC2	ZINC000124747811	525067234	/nfs/dbraw/zinc/06/72/34/525067234.db2.gz	BXGCIQBPTJXDME-UONOGXRCSA-N	1	0	360.462	1.060	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)CC1	ZINC000153234302	525151683	/nfs/dbraw/zinc/15/16/83/525151683.db2.gz	ITNQOJJESUYPHR-QGZVFWFLSA-N	1	0	357.429	1.783	20	30		FDEDRO
CN(C)Cc1ccnc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c1	ZINC000176913197	525200442	/nfs/dbraw/zinc/20/04/42/525200442.db2.gz	YNSGFNJXYPXJNS-UHFFFAOYSA-N	1	0	372.450	1.568	20	30		FDEDRO
C#CCOCCC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000125454468	525200912	/nfs/dbraw/zinc/20/09/12/525200912.db2.gz	MMGNWQDUURYKMW-IBGZPJMESA-N	1	0	370.497	1.482	20	30		FDEDRO
N#CCCn1ccc(NC(=O)C(=O)N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)n1	ZINC000125514452	525208780	/nfs/dbraw/zinc/20/87/80/525208780.db2.gz	YNRHNRDASSOUJV-ARFHVFGLSA-N	1	0	370.457	1.068	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH+]1CCC(C(=O)Nc2cnn(CC)c2)CC1	ZINC000102398399	525285074	/nfs/dbraw/zinc/28/50/74/525285074.db2.gz	KSOMLNMZHZYXLV-UHFFFAOYSA-N	1	0	360.462	1.316	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C	ZINC000153730302	525302275	/nfs/dbraw/zinc/30/22/75/525302275.db2.gz	ASOMWEJWVAGOPY-SFHVURJKSA-N	1	0	368.485	1.949	20	30		FDEDRO
CN1CCN(c2ncc(C[NH2+]Cc3ccc(OCC#N)cc3)cn2)CC1	ZINC000177891997	525359686	/nfs/dbraw/zinc/35/96/86/525359686.db2.gz	BYZRMEXJLBXMIW-UHFFFAOYSA-N	1	0	352.442	1.421	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1	ZINC000178042845	525372765	/nfs/dbraw/zinc/37/27/65/525372765.db2.gz	WYCAWPJLKOIVSJ-JKSUJKDBSA-N	1	0	372.469	1.529	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)cc1	ZINC000178034372	525373129	/nfs/dbraw/zinc/37/31/29/525373129.db2.gz	AXDWRFIIWJRKHS-SFKFPXOQSA-N	1	0	364.471	1.438	20	30		FDEDRO
N#Cc1ccc(CSCC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1	ZINC000178109119	525384684	/nfs/dbraw/zinc/38/46/84/525384684.db2.gz	RQCWNOXMUFYLFO-GOSISDBHSA-N	1	0	359.495	1.972	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1	ZINC000104181807	525397297	/nfs/dbraw/zinc/39/72/97/525397297.db2.gz	ONNKFGMUGHCKFJ-CJNGLKHVSA-N	1	0	354.882	1.653	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCCC(=O)N2CCCCC2)cc1OC	ZINC000104166589	525397415	/nfs/dbraw/zinc/39/74/15/525397415.db2.gz	KXJRNUBWPOGCGJ-UHFFFAOYSA-N	1	0	362.474	1.553	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccc(N(C)C)c(F)c2)CC1	ZINC000104181882	525398314	/nfs/dbraw/zinc/39/83/14/525398314.db2.gz	AMAFNICDZFMUSV-UHFFFAOYSA-N	1	0	365.453	1.917	20	30		FDEDRO
C#CCCN1CCN([C@H](C)C(=O)NCCc2c[nH]c3ccccc23)CC1	ZINC000127334611	525409848	/nfs/dbraw/zinc/40/98/48/525409848.db2.gz	DMZXLWAAPASNIE-QGZVFWFLSA-N	1	0	352.482	1.856	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(=O)n(-c2ccccc2F)n1	ZINC000127327730	525411158	/nfs/dbraw/zinc/41/11/58/525411158.db2.gz	UFAORTQAJGDLDK-UHFFFAOYSA-N	1	0	371.416	1.679	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1	ZINC000118112304	525454194	/nfs/dbraw/zinc/45/41/94/525454194.db2.gz	JKIZOCZSHZNEBX-MRXNPFEDSA-N	1	0	357.454	1.874	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1	ZINC000127891810	525478336	/nfs/dbraw/zinc/47/83/36/525478336.db2.gz	VCXLUMMJGHDEMB-GDBMZVCRSA-N	1	0	363.483	1.153	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(F)c(C#N)c2)CC1=O	ZINC000105328618	525500522	/nfs/dbraw/zinc/50/05/22/525500522.db2.gz	QSXHHVGIIBHIKX-GDBMZVCRSA-N	1	0	358.417	1.969	20	30		FDEDRO
C=CCOc1cccc(C[NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1	ZINC000178908153	525502815	/nfs/dbraw/zinc/50/28/15/525502815.db2.gz	SFULQQAKMAKCQP-GOSISDBHSA-N	1	0	359.470	1.274	20	30		FDEDRO
C[NH+]=C(NCc1cccc(N(C)C)n1)N[C@@H]1CCCN(c2ncccn2)C1	ZINC000178998199	525516746	/nfs/dbraw/zinc/51/67/46/525516746.db2.gz	BSTFAOGLIZOANS-MRXNPFEDSA-N	1	0	368.489	1.272	20	30		FDEDRO
C[C@@H]1C[NH+](CC2CCN(S(=O)(=O)CC3(C#N)CC3)CC2)C[C@@H](C)O1	ZINC000165132533	525544703	/nfs/dbraw/zinc/54/47/03/525544703.db2.gz	JJVWRYIFZKISKN-HUUCEWRRSA-N	1	0	355.504	1.441	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1C[C@H]2CC[C@@H]1O2	ZINC000179220278	525546409	/nfs/dbraw/zinc/54/64/09/525546409.db2.gz	OKOIRTJRALQCJY-YUELXQCFSA-N	1	0	371.890	1.599	20	30		FDEDRO
C[NH+]=C(NC[C@H](C)N1CCc2sccc2C1)N1CCO[C@@H](COC)C1	ZINC000179260948	525549472	/nfs/dbraw/zinc/54/94/72/525549472.db2.gz	JSLLQLXDACLEJN-GOEBONIOSA-N	1	0	366.531	1.417	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1	ZINC000106039754	525553015	/nfs/dbraw/zinc/55/30/15/525553015.db2.gz	VHBNXVOYTVLEQZ-IAGOWNOFSA-N	1	0	361.486	1.708	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2ccccc2OCC(=O)N(C)C)CC1	ZINC000106038625	525553041	/nfs/dbraw/zinc/55/30/41/525553041.db2.gz	ARWMSNSMADYXRI-UHFFFAOYSA-N	1	0	359.470	1.924	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(Cc2ccccc2Cl)CC1	ZINC000165767534	525558369	/nfs/dbraw/zinc/55/83/69/525558369.db2.gz	YIZHEGSHIFZKEO-CQSZACIVSA-N	1	0	364.877	1.858	20	30		FDEDRO
N#CCOc1cccc(CC(=O)N2CC[NH+](CC3CCOCC3)CC2)c1	ZINC000179407137	525579446	/nfs/dbraw/zinc/57/94/46/525579446.db2.gz	WVNUGGCYOSWCNG-UHFFFAOYSA-N	1	0	357.454	1.702	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC2CC[NH+](CCc3ccccc3)CC2)cn1	ZINC000170661398	525667895	/nfs/dbraw/zinc/66/78/95/525667895.db2.gz	YUVLAXZDQBAVKG-UHFFFAOYSA-N	1	0	370.478	1.939	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1	ZINC000119199049	525667902	/nfs/dbraw/zinc/66/79/02/525667902.db2.gz	YRIKUVBABPXRFC-LBPRGKRZSA-N	1	0	350.400	1.325	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCCNC(=O)c2ccc(OC)cc2)CC1	ZINC000106274899	525685984	/nfs/dbraw/zinc/68/59/84/525685984.db2.gz	VIZFGTIAUDSVIT-UHFFFAOYSA-N	1	0	374.485	1.765	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC(NS(=O)(=O)CC)CC2)CC1	ZINC000106274827	525686029	/nfs/dbraw/zinc/68/60/29/525686029.db2.gz	KXKOKJMQFJVITM-UHFFFAOYSA-N	1	0	372.535	1.140	20	30		FDEDRO
CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CCO[C@@H](C#N)C1	ZINC000106331273	525693075	/nfs/dbraw/zinc/69/30/75/525693075.db2.gz	KHPACDXITVYUJG-KRWDZBQOSA-N	1	0	360.458	1.841	20	30		FDEDRO
C=C(C)CN(C)C(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1	ZINC000180684186	525740394	/nfs/dbraw/zinc/74/03/94/525740394.db2.gz	LDIMHDOOKLMJBE-UHFFFAOYSA-N	1	0	374.485	1.286	20	30		FDEDRO
CCC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)CC1	ZINC000155102226	525744447	/nfs/dbraw/zinc/74/44/47/525744447.db2.gz	OBTLZFIUYRDATD-OAHLLOKOSA-N	1	0	358.442	1.860	20	30		FDEDRO
C[C@@H](C#N)CNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-]	ZINC000181125927	525810573	/nfs/dbraw/zinc/81/05/73/525810573.db2.gz	HCUGPOYJGQIHKD-NSHDSACASA-N	1	0	355.420	1.006	20	30		FDEDRO
C[N@H+](CCN1CCN(C(=O)c2c[nH]c(C#N)c2)CC1)Cc1ccccc1	ZINC000181283041	525831835	/nfs/dbraw/zinc/83/18/35/525831835.db2.gz	CWPZLNKAUBXPGM-UHFFFAOYSA-N	1	0	351.454	1.776	20	30		FDEDRO
C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000171114683	525853259	/nfs/dbraw/zinc/85/32/59/525853259.db2.gz	LXLUNDVSXVAMHX-LJQANCHMSA-N	1	0	364.449	1.577	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CCc2c(cccc2NS(C)(=O)=O)C1	ZINC000181548401	525872298	/nfs/dbraw/zinc/87/22/98/525872298.db2.gz	LFXTZSZXROKOGW-UHFFFAOYSA-N	1	0	364.471	1.178	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@@H](C)c3cccc(O)c3)CC2)o1	ZINC000181583753	525875482	/nfs/dbraw/zinc/87/54/82/525875482.db2.gz	PYTQZAVFCTZCKK-ZDUSSCGKSA-N	1	0	369.425	1.560	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(C#N)cn3)cn2)CC1	ZINC000107557595	525895249	/nfs/dbraw/zinc/89/52/49/525895249.db2.gz	XKIOESCLCIQECZ-UHFFFAOYSA-N	1	0	350.426	1.420	20	30		FDEDRO
C[N@H+](CC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[C@H]1CCSC1	ZINC000131741479	525896776	/nfs/dbraw/zinc/89/67/76/525896776.db2.gz	NIRKZLZZKVMBIN-INIZCTEOSA-N	1	0	359.499	1.476	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH+]1CCC(NC(=O)NC2CCCCC2)CC1	ZINC000131842307	525909726	/nfs/dbraw/zinc/90/97/26/525909726.db2.gz	AXRHQCYEPMSECK-UHFFFAOYSA-N	1	0	363.506	1.845	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1	ZINC000181734962	525911762	/nfs/dbraw/zinc/91/17/62/525911762.db2.gz	CRGRWDROFGIEQX-GJZGRUSLSA-N	1	0	358.442	1.764	20	30		FDEDRO
CC[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1cccc(S(N)(=O)=O)c1	ZINC000181741762	525914333	/nfs/dbraw/zinc/91/43/33/525914333.db2.gz	SMVAJFYBIIUJBK-QZTJIDSGSA-N	1	0	359.451	1.980	20	30		FDEDRO
CC[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1cccc(S(N)(=O)=O)c1	ZINC000181741786	525914544	/nfs/dbraw/zinc/91/45/44/525914544.db2.gz	LUJBGFCORSANCW-KRWDZBQOSA-N	1	0	372.450	1.885	20	30		FDEDRO
C[C@@H](C(=O)N1CCCN(c2ccccc2C#N)CC1)N1CCN(C)CC1	ZINC000171255646	525919372	/nfs/dbraw/zinc/91/93/72/525919372.db2.gz	ZDEDFBYTNAHXFM-KRWDZBQOSA-N	1	0	355.486	1.233	20	30		FDEDRO
C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1	ZINC000132354894	525959788	/nfs/dbraw/zinc/95/97/88/525959788.db2.gz	ICQAOVMAFPYFCJ-HNNXBMFYSA-N	1	0	371.485	1.916	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)Cc3cccc(C#N)c3)C2)CC1	ZINC000108400638	525965799	/nfs/dbraw/zinc/96/57/99/525965799.db2.gz	BIQXHJOGEZSEJZ-SFHVURJKSA-N	1	0	362.499	1.100	20	30		FDEDRO
N#CCCn1ccc(NC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)n1	ZINC000181881446	525969205	/nfs/dbraw/zinc/96/92/05/525969205.db2.gz	ZIWXXTCXZBPAFL-QGZVFWFLSA-N	1	0	368.441	1.685	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(OCC#N)cc1	ZINC000181978686	526007649	/nfs/dbraw/zinc/00/76/49/526007649.db2.gz	MPEJMFFLYFBFRQ-SJLPKXTDSA-N	1	0	372.469	1.173	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1	ZINC000108815012	526029727	/nfs/dbraw/zinc/02/97/27/526029727.db2.gz	JTCMPZPOSMBPHW-HNNXBMFYSA-N	1	0	364.471	1.011	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000120361185	526039256	/nfs/dbraw/zinc/03/92/56/526039256.db2.gz	SPWHGWPYBLHEPX-HOTGVXAUSA-N	1	0	371.489	1.443	20	30		FDEDRO
COCCC(=O)N1CCC([NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)CC1	ZINC000133331850	526047637	/nfs/dbraw/zinc/04/76/37/526047637.db2.gz	RNBMBHQZCBGUMK-OAHLLOKOSA-N	1	0	364.490	1.335	20	30		FDEDRO
COC(=O)CCN1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)[C@H](C)C1	ZINC000182105596	526058193	/nfs/dbraw/zinc/05/81/93/526058193.db2.gz	ZTCJOWNPDCYGLE-OAHLLOKOSA-N	1	0	358.442	1.456	20	30		FDEDRO
C=C[C@@H](C)NC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1	ZINC000133729020	526084792	/nfs/dbraw/zinc/08/47/92/526084792.db2.gz	XVJWLDDMVKRLPV-OAHLLOKOSA-N	1	0	356.470	1.848	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NC[C@H](O)c3ccccc3)=[NH+]C[C@@H]2C1	ZINC000133858003	526101327	/nfs/dbraw/zinc/10/13/27/526101327.db2.gz	BJLWRLGZPNHRIC-CVEARBPZSA-N	1	0	360.458	1.601	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)CC1	ZINC000171738181	526103007	/nfs/dbraw/zinc/10/30/07/526103007.db2.gz	QXMPQXSQOVMDAY-UHFFFAOYSA-N	1	0	374.460	1.944	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@@H](O)COc2ccc(F)cc2)CC1	ZINC000171739139	526104315	/nfs/dbraw/zinc/10/43/15/526104315.db2.gz	UXXYMMNGYBUQRB-MRXNPFEDSA-N	1	0	351.422	1.515	20	30		FDEDRO
Cn1cc(CCCNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)cn1	ZINC000133958260	526109901	/nfs/dbraw/zinc/10/99/01/526109901.db2.gz	WJEQJYZHQFWGKS-OAHLLOKOSA-N	1	0	362.478	1.233	20	30		FDEDRO
Cc1cccc(S(=O)(=O)NCCCCN2CC[NH+](C)CC2)c1C#N	ZINC000156459960	526140587	/nfs/dbraw/zinc/14/05/87/526140587.db2.gz	QHKUYSXMCQYHQX-UHFFFAOYSA-N	1	0	350.488	1.173	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCCNC(=O)c2c(F)cccc2F)CC1	ZINC000171870885	526160833	/nfs/dbraw/zinc/16/08/33/526160833.db2.gz	NAFJICVUSHVEHO-UHFFFAOYSA-N	1	0	366.412	1.644	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N(C)[C@H]3CC[N@@H+](C)C[C@@H]3C)cc2C1=O	ZINC000120715836	526163246	/nfs/dbraw/zinc/16/32/46/526163246.db2.gz	UWJOJPCRLFZVLF-GUYCJALGSA-N	1	0	355.438	1.881	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN([C@@H](C)c3nc(C)no3)CC2)CC1	ZINC000171907825	526179989	/nfs/dbraw/zinc/17/99/89/526179989.db2.gz	HPJPZEHQHCMIKR-AWEZNQCLSA-N	1	0	362.478	1.417	20	30		FDEDRO
CCC[N@H+](CC)CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000120878484	526208322	/nfs/dbraw/zinc/20/83/22/526208322.db2.gz	FMAVQFXMMDEQJV-AWEZNQCLSA-N	1	0	366.487	1.073	20	30		FDEDRO
CCC[N@H+](CC)CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000120897982	526214504	/nfs/dbraw/zinc/21/45/04/526214504.db2.gz	ZELOPCUDLLMGFL-CQSZACIVSA-N	1	0	366.487	1.073	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)NC[C@@H]2CCC[N@H+]2CCOC)cc1	ZINC000110091025	526220359	/nfs/dbraw/zinc/22/03/59/526220359.db2.gz	FTSUSVQWWDTPKJ-KRWDZBQOSA-N	1	0	360.458	1.835	20	30		FDEDRO
CC(C)[N@H+](CCO)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000182698079	535848383	/nfs/dbraw/zinc/84/83/83/535848383.db2.gz	KZIYILBODSPRPW-OAHLLOKOSA-N	1	0	350.488	1.160	20	30		FDEDRO
CNC(=O)CC1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000182820362	535869259	/nfs/dbraw/zinc/86/92/59/535869259.db2.gz	DWOWFMQDNOPDQY-GOSISDBHSA-N	1	0	354.454	1.902	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1	ZINC000182900981	535885169	/nfs/dbraw/zinc/88/51/69/535885169.db2.gz	XPWKNLMALZLSFC-UXHICEINSA-N	1	0	370.497	1.874	20	30		FDEDRO
CC[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1cccc(S(N)(=O)=O)c1	ZINC000183021386	535905535	/nfs/dbraw/zinc/90/55/35/535905535.db2.gz	IJTGCUXCQBUAOB-QGZVFWFLSA-N	1	0	372.450	1.885	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C	ZINC000183177472	535936774	/nfs/dbraw/zinc/93/67/74/535936774.db2.gz	OLTOMKVUXWQWBN-MRXNPFEDSA-N	1	0	374.485	1.129	20	30		FDEDRO
COC[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C1CC1	ZINC000183451021	535983221	/nfs/dbraw/zinc/98/32/21/535983221.db2.gz	KIXGYKABFYJLOJ-JKSUJKDBSA-N	1	0	362.499	1.472	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1	ZINC000184203911	536113755	/nfs/dbraw/zinc/11/37/55/536113755.db2.gz	DCKDHXZGFPEOJC-MRXNPFEDSA-N	1	0	358.486	1.858	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(c3ccnc(C)n3)CC2)CC1	ZINC000184985977	536194724	/nfs/dbraw/zinc/19/47/24/536194724.db2.gz	KKSYRNNISVPGAB-UHFFFAOYSA-N	1	0	358.490	1.657	20	30		FDEDRO
CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2OC)C1	ZINC000185798457	536217874	/nfs/dbraw/zinc/21/78/74/536217874.db2.gz	SHLZGUSYEGYEPU-HNNXBMFYSA-N	1	0	351.472	1.919	20	30		FDEDRO
C=CC[C@H](CO)NC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1	ZINC000186028607	536223765	/nfs/dbraw/zinc/22/37/65/536223765.db2.gz	BBOOSYNZOPGTFB-MRXNPFEDSA-N	1	0	364.465	1.704	20	30		FDEDRO
N#Cc1ccc(C2(C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)CC2)cc1	ZINC000186617933	536238626	/nfs/dbraw/zinc/23/86/26/536238626.db2.gz	VJOYCIKGXUSZBG-UHFFFAOYSA-N	1	0	366.465	1.356	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N(C)Cc1cccc(OC)c1	ZINC000262802381	536905379	/nfs/dbraw/zinc/90/53/79/536905379.db2.gz	RFQJABDXQHKQLT-MRXNPFEDSA-N	1	0	356.474	1.865	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc(F)c(C#N)c2)CC1=O	ZINC000246472871	536960863	/nfs/dbraw/zinc/96/08/63/536960863.db2.gz	QSXHHVGIIBHIKX-GOEBONIOSA-N	1	0	358.417	1.969	20	30		FDEDRO
CCN(CCC[NH+](C)C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000188954504	536976639	/nfs/dbraw/zinc/97/66/39/536976639.db2.gz	GZBXVXGPVOCZIO-CQSZACIVSA-N	1	0	366.487	1.025	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2cccc(Cl)c2C#N)CC1	ZINC000189119710	537000295	/nfs/dbraw/zinc/00/02/95/537000295.db2.gz	JGRFJYXLSZOSFF-ZDUSSCGKSA-N	1	0	370.906	1.516	20	30		FDEDRO
[NH2+]=C(NCc1cccc2c1OCCCO2)N1CCN(c2ncccn2)CC1	ZINC000263254516	537002679	/nfs/dbraw/zinc/00/26/79/537002679.db2.gz	KKJNTCFEKQLWSH-UHFFFAOYSA-N	1	0	368.441	1.275	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@@H]4OCCC[C@H]4C3)CC2)o1	ZINC000246793615	537028661	/nfs/dbraw/zinc/02/86/61/537028661.db2.gz	RILIJIPEOLBQJG-RDJZCZTQSA-N	1	0	373.457	1.004	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)/C=C/c1ccccc1C#N	ZINC000263684609	537064976	/nfs/dbraw/zinc/06/49/76/537064976.db2.gz	LNKVESVBRDSFSK-ZGKFYVQTSA-N	1	0	354.454	1.630	20	30		FDEDRO
CS(=O)(=O)N1CC(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000189686627	537081546	/nfs/dbraw/zinc/08/15/46/537081546.db2.gz	SVUWCHVVIMHPGX-UHFFFAOYSA-N	1	0	373.482	1.445	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1	ZINC000247106677	537082658	/nfs/dbraw/zinc/08/26/58/537082658.db2.gz	VJMWTURYORHTFV-CVEARBPZSA-N	1	0	350.507	1.869	20	30		FDEDRO
COc1cc(/C=C/C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)ccc1OCC#N	ZINC000263794842	537102018	/nfs/dbraw/zinc/10/20/18/537102018.db2.gz	RPWSDRCROXADKE-BIENSFFJSA-N	1	0	372.469	1.363	20	30		FDEDRO
C[C@@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC[N@@H+]1CC(C)(C)O	ZINC000189955823	537120782	/nfs/dbraw/zinc/12/07/82/537120782.db2.gz	DQBOPJUTCMKITR-CQSZACIVSA-N	1	0	355.442	1.885	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2C[NH+](C)C)c1	ZINC000263903131	537129796	/nfs/dbraw/zinc/12/97/96/537129796.db2.gz	FHQHWUSLGCGIDX-HNNXBMFYSA-N	1	0	351.472	1.317	20	30		FDEDRO
C[C@@H]1CN(C[C@H]2CCCN2C(=O)C#Cc2ccc3c(c2)OCO3)C[C@H](C)O1	ZINC000247565747	537135149	/nfs/dbraw/zinc/13/51/49/537135149.db2.gz	RZYZUHIYCFJRJO-SOLBZPMBSA-N	1	0	370.449	1.867	20	30		FDEDRO
CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N(C)[C@@H](C)CC#N)c2)CC1	ZINC000190138235	537145302	/nfs/dbraw/zinc/14/53/02/537145302.db2.gz	BKNXRQFWHCYVMT-HNNXBMFYSA-N	1	0	357.458	1.528	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCC#Cc2ccccc2)CC1	ZINC000264587581	537146046	/nfs/dbraw/zinc/14/60/46/537146046.db2.gz	ZPXPACTVAQIAMD-HXUWFJFHSA-N	1	0	354.498	1.850	20	30		FDEDRO
CC[C@@H]1CN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC[N@@H+]1C[C@H](C)O	ZINC000247767956	537148311	/nfs/dbraw/zinc/14/83/11/537148311.db2.gz	OJDQYJFWPJBDSG-JGGQBBKZSA-N	1	0	362.474	1.872	20	30		FDEDRO
CCN(CCC#N)C(=O)COc1ccc(C(=O)NCC[NH+](CC)CC)cc1	ZINC000265180205	537151744	/nfs/dbraw/zinc/15/17/44/537151744.db2.gz	RDVQQBYQTRJLAK-UHFFFAOYSA-N	1	0	374.485	1.899	20	30		FDEDRO
CC[C@@H]1CN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1C[C@H](C)O	ZINC000247815941	537152408	/nfs/dbraw/zinc/15/24/08/537152408.db2.gz	WGLRZHHZLRFHFS-KVSKMBFKSA-N	1	0	356.470	1.441	20	30		FDEDRO
C[NH+](C)[C@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000190269375	537159700	/nfs/dbraw/zinc/15/97/00/537159700.db2.gz	YHVVWTKWUJEREL-IRXDYDNUSA-N	1	0	355.442	1.005	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1	ZINC000248004076	537161914	/nfs/dbraw/zinc/16/19/14/537161914.db2.gz	KQNIOSPFQIYYCP-RBUKOAKNSA-N	1	0	370.497	1.985	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)ccc1Cl	ZINC000193374007	537246211	/nfs/dbraw/zinc/24/62/11/537246211.db2.gz	VJTLFTDIXMSKPN-UHFFFAOYSA-N	1	0	366.849	1.981	20	30		FDEDRO
N#CCOc1ccc(CC(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)cc1	ZINC000363638900	537265843	/nfs/dbraw/zinc/26/58/43/537265843.db2.gz	UXFDJNZRLOHJCM-HKUYNNGSSA-N	1	0	357.454	1.749	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1	ZINC000285781763	537276968	/nfs/dbraw/zinc/27/69/68/537276968.db2.gz	YSLAPJYWBWRBNY-JKSUJKDBSA-N	1	0	357.520	1.179	20	30		FDEDRO
COC(=O)c1cn(C2CC[NH+](Cc3ccc(C#N)c(OC)c3)CC2)nn1	ZINC000282260421	537290994	/nfs/dbraw/zinc/29/09/94/537290994.db2.gz	JXJLWDOWYGDQFC-UHFFFAOYSA-N	1	0	355.398	1.782	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1ccc(C)cc1OCCOC	ZINC000270384294	537319503	/nfs/dbraw/zinc/31/95/03/537319503.db2.gz	WRZMYBIWEDEXGW-UHFFFAOYSA-N	1	0	364.490	1.017	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)CN1CCCNC(=O)[C@H]1Cc1ccccc1	ZINC000293079444	537329650	/nfs/dbraw/zinc/32/96/50/537329650.db2.gz	WDFYIUQVQJTCAQ-YLJYHZDGSA-N	1	0	356.470	1.474	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(OCCOC)c(OC)c1	ZINC000272793781	537342709	/nfs/dbraw/zinc/34/27/09/537342709.db2.gz	ACCPGZBSVRXUCF-AWEZNQCLSA-N	1	0	357.472	1.972	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NCc1ccccc1C[NH+]1CCCC1	ZINC000282918254	537346129	/nfs/dbraw/zinc/34/61/29/537346129.db2.gz	GZTAHKCAOLNHDJ-OAHLLOKOSA-N	1	0	350.488	1.851	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)Nc1ccc(C#N)cn1	ZINC000293109053	537348288	/nfs/dbraw/zinc/34/82/88/537348288.db2.gz	PHOCGYAKDALPTD-UHFFFAOYSA-N	1	0	369.400	1.621	20	30		FDEDRO
C=CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1	ZINC000290429932	537348928	/nfs/dbraw/zinc/34/89/28/537348928.db2.gz	QMXUXGVHRPYLTN-MRXNPFEDSA-N	1	0	355.490	1.675	20	30		FDEDRO
CC1(C)C[N@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C[C@H]1O	ZINC000279708029	537353838	/nfs/dbraw/zinc/35/38/38/537353838.db2.gz	HRADCGRMZLZHIN-QZTJIDSGSA-N	1	0	374.460	1.237	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1	ZINC000283115918	537355013	/nfs/dbraw/zinc/35/50/13/537355013.db2.gz	YMBHPJHJSPPCIV-KGLIPLIRSA-N	1	0	356.517	1.953	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@]2(CO)C[C@@H]2c2ccccc2)CC1	ZINC000290487074	537356013	/nfs/dbraw/zinc/35/60/13/537356013.db2.gz	GPQUAGNGUSQWTM-XLIONFOSSA-N	1	0	374.485	1.678	20	30		FDEDRO
CCS(=O)(=O)c1ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cc1	ZINC000195158952	537361146	/nfs/dbraw/zinc/36/11/46/537361146.db2.gz	RCGDAQQBQGGHKL-UHFFFAOYSA-N	1	0	351.472	1.788	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)C[NH+](C)C	ZINC000293136427	537366117	/nfs/dbraw/zinc/36/61/17/537366117.db2.gz	JMJBCPDIVOVIMT-LBPRGKRZSA-N	1	0	371.466	1.934	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(C(=O)CCC[NH+](CCC)CCC)CC1	ZINC000364067777	537389046	/nfs/dbraw/zinc/38/90/46/537389046.db2.gz	XTMVNZOVQILWNC-UHFFFAOYSA-N	1	0	364.534	1.172	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)cc1C(F)(F)F	ZINC000293206123	537391195	/nfs/dbraw/zinc/39/11/95/537391195.db2.gz	AVKNVXKQOHGZOV-UHFFFAOYSA-N	1	0	359.323	1.854	20	30		FDEDRO
C#CCNC(=O)c1ccc(N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)nc1	ZINC000364377059	537391689	/nfs/dbraw/zinc/39/16/89/537391689.db2.gz	AIILZICBTWEEEZ-INIZCTEOSA-N	1	0	355.486	1.049	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(C(=O)NCC#Cc2ccccc2)CC1	ZINC000286565107	537436238	/nfs/dbraw/zinc/43/62/38/537436238.db2.gz	LZDOZTKXIGIACL-UHFFFAOYSA-N	1	0	373.497	1.807	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NC[C@H]2COC3(CCCC3)O2)cc1OC	ZINC000271575184	537461104	/nfs/dbraw/zinc/46/11/04/537461104.db2.gz	WFXIGKIUEPSZSJ-HNNXBMFYSA-N	1	0	363.458	1.836	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(NC(=O)OC)c1C	ZINC000293471759	537478661	/nfs/dbraw/zinc/47/86/61/537478661.db2.gz	UXQQLELCWLDPPP-UHFFFAOYSA-N	1	0	360.414	1.183	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1)C(C)C	ZINC000280913580	537481086	/nfs/dbraw/zinc/48/10/86/537481086.db2.gz	GABKTASZCCLTIV-IXDOHACOSA-N	1	0	364.490	1.825	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(C(=O)N[C@H](C)CC)cc1	ZINC000293506698	537492690	/nfs/dbraw/zinc/49/26/90/537492690.db2.gz	XSSLMBAWFMPUQF-OAHLLOKOSA-N	1	0	372.469	1.225	20	30		FDEDRO
COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1	ZINC000299230974	537493167	/nfs/dbraw/zinc/49/31/67/537493167.db2.gz	PODTXBSSCBAWRT-DOTOQJQBSA-N	1	0	372.469	1.750	20	30		FDEDRO
Cn1c(NCC2CC[NH+](Cc3ccccc3)CC2)c(C#N)c(=O)n(C)c1=O	ZINC000299239699	537501090	/nfs/dbraw/zinc/50/10/90/537501090.db2.gz	NJUXTRICDZGRDX-UHFFFAOYSA-N	1	0	367.453	1.280	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCc2cn3c(n2)SCC3)CC1	ZINC000274334312	537523711	/nfs/dbraw/zinc/52/37/11/537523711.db2.gz	MJMKAFORHUPZQP-UHFFFAOYSA-N	1	0	366.491	1.057	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NC[C@H](c1cccc(OC)c1)[NH+](CC)CC	ZINC000272074312	537523708	/nfs/dbraw/zinc/52/37/08/537523708.db2.gz	RJYGLMRKRLZGHN-QGZVFWFLSA-N	1	0	362.474	1.680	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000274722815	537529533	/nfs/dbraw/zinc/52/95/33/537529533.db2.gz	VCFWZYQFHMDSJF-IYBDPMFKSA-N	1	0	373.453	1.253	20	30		FDEDRO
C=CCC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1	ZINC000276477935	537536163	/nfs/dbraw/zinc/53/61/63/537536163.db2.gz	SKECMWPDGLHZHO-UHFFFAOYSA-N	1	0	365.499	1.169	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2cc(S(N)(=O)=O)ccc2F)CC1	ZINC000281423990	537541838	/nfs/dbraw/zinc/54/18/38/537541838.db2.gz	CTBFHKQPJDPCTA-UHFFFAOYSA-N	1	0	355.435	1.243	20	30		FDEDRO
C=CCOc1ccc(C[NH2+][C@@H]2CCN(c3ccn(C)n3)C2=O)cc1OC	ZINC000360093030	537578678	/nfs/dbraw/zinc/57/86/78/537578678.db2.gz	NNBGYBUDSJXWMC-OAHLLOKOSA-N	1	0	356.426	1.889	20	30		FDEDRO
C=CCNC(=O)c1ccccc1NC(=O)c1cn(C2CC[NH2+]CC2)nn1	ZINC000236667438	537594623	/nfs/dbraw/zinc/59/46/23/537594623.db2.gz	MUQDXDXJMSRDNM-UHFFFAOYSA-N	1	0	354.414	1.371	20	30		FDEDRO
C=CCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000289833535	537595032	/nfs/dbraw/zinc/59/50/32/537595032.db2.gz	WYPVHSQWSJSHRF-HOTGVXAUSA-N	1	0	360.506	1.720	20	30		FDEDRO
Cc1cnn([C@H]2CCN(CC#CC[N@@H+]3CC[C@H](n4cc(C)cn4)C3)C2)c1	ZINC000289869948	537609924	/nfs/dbraw/zinc/60/99/24/537609924.db2.gz	LROBCXDQZOCOJZ-PMACEKPBSA-N	1	0	352.486	1.894	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cnc(C(F)(F)F)c(C#N)c3)[C@H]2C1	ZINC000293954973	537630704	/nfs/dbraw/zinc/63/07/04/537630704.db2.gz	SLLNVYCGJNQGJG-UONOGXRCSA-N	1	0	368.359	1.907	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CCN(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)C2)nc1	ZINC000291565217	537631501	/nfs/dbraw/zinc/63/15/01/537631501.db2.gz	CXZXXBNTSRTRCF-RDJZCZTQSA-N	1	0	355.442	1.600	20	30		FDEDRO
O=C(CN1CCc2cncnc2C1)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000329174962	537635976	/nfs/dbraw/zinc/63/59/76/537635976.db2.gz	LZYHBPLDHUNZDD-UHFFFAOYSA-N	1	0	373.501	1.826	20	30		FDEDRO
C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]2CC[NH2+]C2)nc1C	ZINC000237671551	537636298	/nfs/dbraw/zinc/63/62/98/537636298.db2.gz	ROOLNVXRBYMAJY-VIFPVBQESA-N	1	0	350.473	1.733	20	30		FDEDRO
O=C(NC[C@@H]1CCCS(=O)(=O)C1)N1CCC([NH+]2CCCCC2)CC1	ZINC000329712076	537642110	/nfs/dbraw/zinc/64/21/10/537642110.db2.gz	PMUJURJBKOFBNN-HNNXBMFYSA-N	1	0	357.520	1.676	20	30		FDEDRO
CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)C1	ZINC000330006361	537649302	/nfs/dbraw/zinc/64/93/02/537649302.db2.gz	CSOYPXHHNBZEHR-UYSNPLJNSA-N	1	0	372.535	1.319	20	30		FDEDRO
Cn1cnc2c(c1=O)CCN(C(=O)NC[C@H](c1cccs1)[NH+](C)C)C2	ZINC000330059859	537651072	/nfs/dbraw/zinc/65/10/72/537651072.db2.gz	LQZKVWGDUXXUJR-CQSZACIVSA-N	1	0	361.471	1.417	20	30		FDEDRO
Cc1nnsc1CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000330232436	537652898	/nfs/dbraw/zinc/65/28/98/537652898.db2.gz	XJDWQHLITBJCRB-KGLIPLIRSA-N	1	0	353.492	1.618	20	30		FDEDRO
C[NH+](C)Cc1cc(CNC(=O)N[C@@H]2CCC(=O)NC2(C)C)ccc1F	ZINC000330425746	537656947	/nfs/dbraw/zinc/65/69/47/537656947.db2.gz	GISMYFYQRUQJDI-OAHLLOKOSA-N	1	0	350.438	1.948	20	30		FDEDRO
CC(C)NC(=O)NC1(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)CCCCC1	ZINC000331003988	537663067	/nfs/dbraw/zinc/66/30/67/537663067.db2.gz	OWMWBEAXLPNHQD-MRXNPFEDSA-N	1	0	367.538	1.353	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)N(C)C)nc2)CC1	ZINC000331000469	537663347	/nfs/dbraw/zinc/66/33/47/537663347.db2.gz	FJFBCCHBQAYXMB-UHFFFAOYSA-N	1	0	354.476	1.511	20	30		FDEDRO
C[NH+](C)CCCOC1CCN(C(=O)C(=O)Nc2sccc2C#N)CC1	ZINC000294157198	537667341	/nfs/dbraw/zinc/66/73/41/537667341.db2.gz	RPCGJQKETYZAKX-UHFFFAOYSA-N	1	0	364.471	1.518	20	30		FDEDRO
Cc1cnn([C@H]2CC[N@@H+](CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)C2)c1	ZINC000290090676	537668753	/nfs/dbraw/zinc/66/87/53/537668753.db2.gz	ZPGXGTUIHNIRLD-ROUUACIJSA-N	1	0	358.490	1.131	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](CO)c1ccc(Br)cc1	ZINC000292049701	537701968	/nfs/dbraw/zinc/70/19/68/537701968.db2.gz	BDLWPJIGJPSMMH-GWCFXTLKSA-N	1	0	370.247	1.472	20	30		FDEDRO
CC(C)(C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)c1cc(F)cc(C#N)c1	ZINC000285475115	537717874	/nfs/dbraw/zinc/71/78/74/537717874.db2.gz	OEBRDBGHFHAWNT-INIZCTEOSA-N	1	0	360.433	1.431	20	30		FDEDRO
CN(C[C@H]1CCCN(CC(=O)Nc2sccc2C#N)C1)S(C)(=O)=O	ZINC000285624910	537738294	/nfs/dbraw/zinc/73/82/94/537738294.db2.gz	NMONFNMBVGOGIB-GFCCVEGCSA-N	1	0	370.500	1.162	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[N@@H+]2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)cc1	ZINC000375803507	537776567	/nfs/dbraw/zinc/77/65/67/537776567.db2.gz	CTIUKCOTRZRMPF-GUDVDZBRSA-N	1	0	373.453	1.961	20	30		FDEDRO
C[C@@]1(NS(=O)(=O)c2cncc(C#N)c2)CC[N@H+](Cc2ccccc2)C1	ZINC000405955556	537811608	/nfs/dbraw/zinc/81/16/08/537811608.db2.gz	KCVVZVAXUVOAFZ-GOSISDBHSA-N	1	0	356.451	1.896	20	30		FDEDRO
C=CCc1cc(CN2CC[NH+](C(COC)COC)CC2)cc(OC)c1O	ZINC000414467374	537819344	/nfs/dbraw/zinc/81/93/44/537819344.db2.gz	AUSXWBVMYCBEKF-UHFFFAOYSA-N	1	0	364.486	1.908	20	30		FDEDRO
C=CCN(C(=O)[C@@H](C)N1CCN(C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000371833693	537832488	/nfs/dbraw/zinc/83/24/88/537832488.db2.gz	CNDHSUMNDQCIFH-CTNGQTDRSA-N	1	0	370.541	1.911	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCSCc1ccccc1C#N	ZINC000418917814	537846983	/nfs/dbraw/zinc/84/69/83/537846983.db2.gz	IHRDUMDNGHAXSW-WMLDXEAASA-N	1	0	374.510	1.636	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)NCCC[N@H+](C)Cc1ccccc1	ZINC000409552908	537860724	/nfs/dbraw/zinc/86/07/24/537860724.db2.gz	LUJGVKAKILNQBX-MRXNPFEDSA-N	1	0	352.504	1.824	20	30		FDEDRO
C[NH+](C)CC(C)(C)NS(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000416511523	537871415	/nfs/dbraw/zinc/87/14/15/537871415.db2.gz	XWSRKEJLJGMOGW-UHFFFAOYSA-N	1	0	360.277	1.939	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)[C@H](C)C1	ZINC000410117127	537879059	/nfs/dbraw/zinc/87/90/59/537879059.db2.gz	DGVGTWQIUHPFQJ-OAGGEKHMSA-N	1	0	360.524	1.049	20	30		FDEDRO
C[NH2+]CCCN(C)C(=O)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	ZINC000419034866	537901104	/nfs/dbraw/zinc/90/11/04/537901104.db2.gz	NPRSNNQJVQBASU-UHFFFAOYSA-N	1	0	372.469	1.432	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1	ZINC000410512041	537913162	/nfs/dbraw/zinc/91/31/62/537913162.db2.gz	IORIKZGERWYMPU-KRWDZBQOSA-N	1	0	350.507	1.040	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]([NH3+])C(C)C)cc1	ZINC000414903408	537934372	/nfs/dbraw/zinc/93/43/72/537934372.db2.gz	ZOGUHWMVPBPHGU-OAHLLOKOSA-N	1	0	354.476	1.598	20	30		FDEDRO
N#CCNC(=O)CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1	ZINC000377030680	537952462	/nfs/dbraw/zinc/95/24/62/537952462.db2.gz	MDAQAUHCZDGKJN-ROUUACIJSA-N	1	0	369.469	1.322	20	30		FDEDRO
C[NH+](C)CCn1ccc(=NC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)[nH]1	ZINC000416867332	537960912	/nfs/dbraw/zinc/96/09/12/537960912.db2.gz	SGQHCNSHFVICRG-QGZVFWFLSA-N	1	0	352.442	2.515	20	30		FDEDRO
N#CC1(NC(=O)C[C@H]2CCCC(=O)N2)CC[NH+](Cc2ccccc2)CC1	ZINC000367992230	537971787	/nfs/dbraw/zinc/97/17/87/537971787.db2.gz	BEOWNFMVFJAFLV-QGZVFWFLSA-N	1	0	354.454	1.720	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)C(=O)CCO3)CC1	ZINC000368471638	537981724	/nfs/dbraw/zinc/98/17/24/537981724.db2.gz	SCNKGUJHKIBANV-UHFFFAOYSA-N	1	0	371.437	1.747	20	30		FDEDRO
C[C@H](CO)[N@@H+]1CCCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1	ZINC000368974213	537995614	/nfs/dbraw/zinc/99/56/14/537995614.db2.gz	NYNOWJDWHGLMLG-SFANZJOMSA-N	1	0	364.534	1.694	20	30		FDEDRO
C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](n2ncc(N3CCOCC3)cc2=O)C1	ZINC000369033780	537996754	/nfs/dbraw/zinc/99/67/54/537996754.db2.gz	XTWXLGSMGQMRKJ-SJLPKXTDSA-N	1	0	362.474	1.044	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)[N@H+](C)Cc1ccccc1	ZINC000369220522	538005818	/nfs/dbraw/zinc/00/58/18/538005818.db2.gz	SWNHHLAPLQOTLU-APWZRJJASA-N	1	0	355.486	1.889	20	30		FDEDRO
CN1C(=O)C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)[C@H]1c1ccc(F)cc1	ZINC000372801856	538030692	/nfs/dbraw/zinc/03/06/92/538030692.db2.gz	AMACQQGLBWNJGE-VQIMIIECSA-N	1	0	371.416	1.343	20	30		FDEDRO
C[C@H]1C[N@H+](CCO)[C@@H](C)CN1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000419332398	538044955	/nfs/dbraw/zinc/04/49/55/538044955.db2.gz	HRNOFYJQZRFKHN-KBPBESRZSA-N	1	0	364.877	1.927	20	30		FDEDRO
C=C(C)COCCNC(=O)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1	ZINC000419407622	538063729	/nfs/dbraw/zinc/06/37/29/538063729.db2.gz	WVKMTMQBXUABIL-GOSISDBHSA-N	1	0	355.438	1.665	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1	ZINC000415473395	538067650	/nfs/dbraw/zinc/06/76/50/538067650.db2.gz	DUZWMGFJPAXMHR-CVEARBPZSA-N	1	0	371.441	1.286	20	30		FDEDRO
C[NH2+]CCN(C)C(=O)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)C)C2	ZINC000415546899	538074343	/nfs/dbraw/zinc/07/43/43/538074343.db2.gz	NVEAJHVWJJHDDT-LBPRGKRZSA-N	1	0	362.499	1.997	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1	ZINC000373228058	538093821	/nfs/dbraw/zinc/09/38/21/538093821.db2.gz	HELJZSSJQQJPBM-MRXNPFEDSA-N	1	0	371.397	1.740	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)CC2)n1	ZINC000418676712	538099551	/nfs/dbraw/zinc/09/95/51/538099551.db2.gz	ZFTPTVPRBDSWKB-WKILWMFISA-N	1	0	356.474	1.550	20	30		FDEDRO
C=CCN(C(=O)[C@@H]1C[C@@]12CC[NH2+]C2)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000444125784	538118695	/nfs/dbraw/zinc/11/86/95/538118695.db2.gz	YWYGIPHCCKAEKW-DKSSEZFCSA-N	1	0	352.442	1.738	20	30		FDEDRO
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000419866510	538122847	/nfs/dbraw/zinc/12/28/47/538122847.db2.gz	ULGKXKXGCQMUAC-VUXNLXKLSA-N	1	0	366.465	1.684	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NCC[N@@H+](CC)C(C)C)c1	ZINC000444164386	538125607	/nfs/dbraw/zinc/12/56/07/538125607.db2.gz	CZUVROFILOJLQS-UHFFFAOYSA-N	1	0	353.488	1.611	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1	ZINC000419918357	538146731	/nfs/dbraw/zinc/14/67/31/538146731.db2.gz	UKPLMOTUATUOPS-CQSZACIVSA-N	1	0	360.414	1.225	20	30		FDEDRO
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+](CCO)C2CCC2)CC1	ZINC000439289500	538165731	/nfs/dbraw/zinc/16/57/31/538165731.db2.gz	LWCLPNRBILQOQS-LJQANCHMSA-N	1	0	374.460	1.381	20	30		FDEDRO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC1CC[NH+](CCO)CC1	ZINC000422297951	538217850	/nfs/dbraw/zinc/21/78/50/538217850.db2.gz	KAFSBWHCHIIEFV-IBGZPJMESA-N	1	0	373.497	1.111	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1	ZINC000424051748	538223385	/nfs/dbraw/zinc/22/33/85/538223385.db2.gz	KTKKJZNDDHGFQJ-YCPHGPKFSA-N	1	0	365.499	1.596	20	30		FDEDRO
C[NH+](C)CCn1ccc(NCc2cn(CCC#N)nc2-c2ccncc2)n1	ZINC000433330104	538224493	/nfs/dbraw/zinc/22/44/93/538224493.db2.gz	AUJQHBSOYGRXGT-UHFFFAOYSA-N	1	0	364.457	2.229	20	30		FDEDRO
Cc1nc2n(n1)C[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)CC2	ZINC000433333823	538226104	/nfs/dbraw/zinc/22/61/04/538226104.db2.gz	IKFQKQNOYKTDSW-QGZVFWFLSA-N	1	0	362.441	1.863	20	30		FDEDRO
C[NH+](C)[C@H](CC(=O)N(CCC#N)CCN1CCOCC1)c1ccccc1	ZINC000433345566	538228637	/nfs/dbraw/zinc/22/86/37/538228637.db2.gz	YNBGGTSVJIGMHO-LJQANCHMSA-N	1	0	358.486	1.754	20	30		FDEDRO
CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	ZINC000420127910	538231637	/nfs/dbraw/zinc/23/16/37/538231637.db2.gz	SJFLMHKGGSSNDB-KZNAEPCWSA-N	1	0	356.470	1.918	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC[C@@H]1[NH3+]	ZINC000440402224	538234100	/nfs/dbraw/zinc/23/41/00/538234100.db2.gz	CAGHMMBHNZDTEO-ZANVPECISA-N	1	0	358.261	1.679	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1	ZINC000424112669	538237672	/nfs/dbraw/zinc/23/76/72/538237672.db2.gz	KWMWTONVFGVOCV-CQSZACIVSA-N	1	0	366.824	1.785	20	30		FDEDRO
CC[NH+](CC)CCOCCNS(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000451393655	538241391	/nfs/dbraw/zinc/24/13/91/538241391.db2.gz	KKRZQASSCJJUHX-UHFFFAOYSA-N	1	0	357.451	1.475	20	30		FDEDRO
Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1	ZINC000424123240	538241750	/nfs/dbraw/zinc/24/17/50/538241750.db2.gz	KPBFHOQTEBBQSP-IAGOWNOFSA-N	1	0	372.469	1.454	20	30		FDEDRO
COc1ccc([C@H](CNC(=O)[C@H]([NH3+])CCCC#N)N2CCOCC2)cc1	ZINC000424145885	538246107	/nfs/dbraw/zinc/24/61/07/538246107.db2.gz	ZUXVZDWJDNUNLC-MSOLQXFVSA-N	1	0	360.458	1.206	20	30		FDEDRO
Cc1nc(NC(=O)[C@H]([NH3+])CCCC#N)ccc1I	ZINC000424182441	538251177	/nfs/dbraw/zinc/25/11/77/538251177.db2.gz	ZGTNLDRXYCAYQR-SNVBAGLBSA-N	1	0	358.183	1.954	20	30		FDEDRO
CC[C@H]1CN(CCNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CCO1	ZINC000428066456	538267446	/nfs/dbraw/zinc/26/74/46/538267446.db2.gz	KBKKGTYFSISNJT-KRWDZBQOSA-N	1	0	368.441	1.167	20	30		FDEDRO
N#Cc1cccc(CS(=O)(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)c1	ZINC000420472073	538303014	/nfs/dbraw/zinc/30/30/14/538303014.db2.gz	RGJPGFKMUUALAN-FUHWJXTLSA-N	1	0	359.426	1.954	20	30		FDEDRO
C[C@@H]1CC2(CN1C(=O)C(=O)NCc1ccc(C#N)c(F)c1)CC[NH2+]CC2	ZINC000424484922	538312455	/nfs/dbraw/zinc/31/24/55/538312455.db2.gz	BCEDSQKWEIOSGO-CYBMUJFWSA-N	1	0	358.417	1.304	20	30		FDEDRO
C=CC[C@H](CO)CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000429037075	538329211	/nfs/dbraw/zinc/32/92/11/538329211.db2.gz	WBOQZWPFRGHGHV-OALUTQOASA-N	1	0	361.486	1.761	20	30		FDEDRO
CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N(C[C@H](C)C#N)C2CC2)CC1	ZINC000441901522	538342183	/nfs/dbraw/zinc/34/21/83/538342183.db2.gz	VKFHRHRCRWZCNA-CQSZACIVSA-N	1	0	372.473	1.629	20	30		FDEDRO
C=CCn1cc(CNC(=O)c2ccc(C[NH+]3CCSCC3)cc2)nn1	ZINC000424908466	538357910	/nfs/dbraw/zinc/35/79/10/538357910.db2.gz	PBDQMFAATATSNT-UHFFFAOYSA-N	1	0	357.483	1.943	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCc3c2cccc3C#N)C1	ZINC000420974860	538372710	/nfs/dbraw/zinc/37/27/10/538372710.db2.gz	PIJXFHOBENBPRT-QGZVFWFLSA-N	1	0	356.470	1.394	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000457122356	538474653	/nfs/dbraw/zinc/47/46/53/538474653.db2.gz	ONNXRCNVGHSTMR-QGZVFWFLSA-N	1	0	352.442	1.881	20	30		FDEDRO
C=CCOC[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)C(=O)OC	ZINC000481749731	538550797	/nfs/dbraw/zinc/55/07/97/538550797.db2.gz	MMAROJPVCIIFET-GOSISDBHSA-N	1	0	360.454	1.759	20	30		FDEDRO
C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2C#N)cc1	ZINC000461772089	538563175	/nfs/dbraw/zinc/56/31/75/538563175.db2.gz	FXSSVQZJNYIECO-CZUORRHYSA-N	1	0	371.441	1.324	20	30		FDEDRO
C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)N[C@H]3CCC[C@H]3C#N)cn2)CC1	ZINC000461780986	538564737	/nfs/dbraw/zinc/56/47/37/538564737.db2.gz	ZYIYOKXIKBMKBK-BBRMVZONSA-N	1	0	371.441	1.302	20	30		FDEDRO
N#Cc1cccnc1-n1cc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cn1	ZINC000462070363	538594118	/nfs/dbraw/zinc/59/41/18/538594118.db2.gz	GZVPQYBLSCMYCZ-HOTGVXAUSA-N	1	0	351.414	1.887	20	30		FDEDRO
CC[C@]1(O)CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000495233512	538649871	/nfs/dbraw/zinc/64/98/71/538649871.db2.gz	PKKBEWQIJGEKRB-ICSRJNTNSA-N	1	0	374.460	1.381	20	30		FDEDRO
C=C(CC)CNC(=O)N1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1	ZINC000455532094	538671166	/nfs/dbraw/zinc/67/11/66/538671166.db2.gz	IXYSQNRCHUJEBF-GOSISDBHSA-N	1	0	350.507	1.928	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1	ZINC000488178498	538721406	/nfs/dbraw/zinc/72/14/06/538721406.db2.gz	NUCKDKJEJVYEQV-APWZRJJASA-N	1	0	373.497	1.730	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(C(=O)COc2ccc(C#N)cc2)CC1	ZINC000478481763	538746305	/nfs/dbraw/zinc/74/63/05/538746305.db2.gz	ABZKHXWSIJODPJ-UHFFFAOYSA-N	1	0	352.394	1.689	20	30		FDEDRO
CC1CC[NH+](CCc2cccc(NC(=O)NCC(=O)NCC#N)c2)CC1	ZINC000478546334	538749296	/nfs/dbraw/zinc/74/92/96/538749296.db2.gz	VUVFYWAEFDEPEV-UHFFFAOYSA-N	1	0	357.458	1.722	20	30		FDEDRO
C[C@H]1CN(C(=O)CNc2cccc(C#N)c2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000497479279	538762268	/nfs/dbraw/zinc/76/22/68/538762268.db2.gz	ZGCDFAOHEZDMNW-LPHOPBHVSA-N	1	0	355.486	1.455	20	30		FDEDRO
C[NH+](C)CCOc1cccc(NC(=O)CNC(=O)c2ccc(C#N)cc2)c1	ZINC000473948406	538809169	/nfs/dbraw/zinc/80/91/69/538809169.db2.gz	CRJRTHBWROMZPH-UHFFFAOYSA-N	1	0	366.421	1.867	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1OC	ZINC000498481961	538832925	/nfs/dbraw/zinc/83/29/25/538832925.db2.gz	RMVABEQJVWPPNP-BZUAXINKSA-N	1	0	372.469	1.835	20	30		FDEDRO
CC[NH+](CC)C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000486511552	538866613	/nfs/dbraw/zinc/86/66/13/538866613.db2.gz	IEQIRCXVUYOYIT-QAPCUYQASA-N	1	0	371.485	1.689	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]C2CCN(C(=O)C3CC3)CC2)cc1	ZINC000560839841	545617810	/nfs/dbraw/zinc/61/78/10/545617810.db2.gz	JZCAKVUXYPGPFV-GOSISDBHSA-N	1	0	357.454	1.483	20	30		FDEDRO
CC(C)CN1CCO[C@@H](C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000560932695	545633765	/nfs/dbraw/zinc/63/37/65/545633765.db2.gz	LLPLMYPOXIXDPY-QUCCMNQESA-N	1	0	361.486	1.439	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3C[C@H]3C3CC[NH2+]CC3)CC2)c(F)c1	ZINC000561230988	545760635	/nfs/dbraw/zinc/76/06/35/545760635.db2.gz	XVFRYXIONWOGCJ-FUHWJXTLSA-N	1	0	371.460	1.917	20	30		FDEDRO
Cc1ccccc1[C@H]([C@H](C)Nc1c(C#N)c(=O)n(C)c(=O)n1C)[NH+](C)C	ZINC000561436076	545850887	/nfs/dbraw/zinc/85/08/87/545850887.db2.gz	KQZYQTHPJGQUHI-BBRMVZONSA-N	1	0	355.442	1.367	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@]2(CO)CCC)CC1	ZINC000561452002	545858055	/nfs/dbraw/zinc/85/80/55/545858055.db2.gz	AFPDTMYVBQJTNZ-LJQANCHMSA-N	1	0	351.491	1.297	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(O[C@@H]3CCOC3)cc2)c1C#N	ZINC000562508222	546161299	/nfs/dbraw/zinc/16/12/99/546161299.db2.gz	ZFXGKTLURKCQKD-OAHLLOKOSA-N	1	0	369.425	1.853	20	30		FDEDRO
C=C(C)Cn1c(CC2CC2)nnc1N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1	ZINC000562566626	546181989	/nfs/dbraw/zinc/18/19/89/546181989.db2.gz	YQUPLTMOBHRZJA-QGZVFWFLSA-N	1	0	372.517	1.597	20	30		FDEDRO
CN(C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@@H]1CCC[NH2+]CC1	ZINC000562761470	546257349	/nfs/dbraw/zinc/25/73/49/546257349.db2.gz	PWJQFKXZXCZXEM-CQSZACIVSA-N	1	0	356.405	2.489	20	30		FDEDRO
N#Cc1ccc(OC2CCC(NC(=O)NC[C@@H]3CCC[NH2+]C3)CC2)nc1	ZINC000562808875	546276889	/nfs/dbraw/zinc/27/68/89/546276889.db2.gz	IOESADKTEOBTMU-KLAILNCOSA-N	1	0	357.458	1.942	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCNC(=O)c2cccs2)cc1	ZINC000562984505	546340491	/nfs/dbraw/zinc/34/04/91/546340491.db2.gz	IUZVCHKXCGVQES-UHFFFAOYSA-N	1	0	363.464	1.413	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1	ZINC000563895877	546727164	/nfs/dbraw/zinc/72/71/64/546727164.db2.gz	XKVFNOCNIFCCJU-XJKSGUPXSA-N	1	0	354.414	1.239	20	30		FDEDRO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1	ZINC000563953861	546751078	/nfs/dbraw/zinc/75/10/78/546751078.db2.gz	YJUGSVIAWCQWGT-MAUKXSAKSA-N	1	0	354.454	1.774	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C	ZINC000563979984	546763093	/nfs/dbraw/zinc/76/30/93/546763093.db2.gz	KDAPHZZGGZUHMK-IRXDYDNUSA-N	1	0	353.507	1.709	20	30		FDEDRO
Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]C[C@@H](O)CN(C)CCC#N	ZINC000564202811	546842688	/nfs/dbraw/zinc/84/26/88/546842688.db2.gz	BHGRNCNZXCLBIM-BXUZGUMPSA-N	1	0	361.412	1.919	20	30		FDEDRO
CSC1(CNC(=O)C(=O)Nc2cc(C#N)ccc2C)CC[NH+](C)CC1	ZINC000564484618	546929353	/nfs/dbraw/zinc/92/93/53/546929353.db2.gz	RQVMIDOIHQVREY-UHFFFAOYSA-N	1	0	360.483	1.749	20	30		FDEDRO
N#CCc1ccc(CS(=O)(=O)NCCCC[N@H+]2CCC[C@@H]2CO)cc1	ZINC000564796099	547041593	/nfs/dbraw/zinc/04/15/93/547041593.db2.gz	RVMYKXYARYIMAN-GOSISDBHSA-N	1	0	365.499	1.409	20	30		FDEDRO
C=CC[C@@H](CC)[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C	ZINC000564863238	547072116	/nfs/dbraw/zinc/07/21/16/547072116.db2.gz	HUSYVPCTPHGQEY-CQSZACIVSA-N	1	0	374.528	1.655	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1	ZINC000564955780	547127281	/nfs/dbraw/zinc/12/72/81/547127281.db2.gz	ZTQSFXZUJUXBAK-IBGZPJMESA-N	1	0	368.481	1.846	20	30		FDEDRO
N#Cc1c(Cl)cccc1S(=O)(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2	ZINC000564966909	547133097	/nfs/dbraw/zinc/13/30/97/547133097.db2.gz	NBLDXKFDGQICLT-LBPRGKRZSA-N	1	0	369.874	1.588	20	30		FDEDRO
C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000565137677	547215894	/nfs/dbraw/zinc/21/58/94/547215894.db2.gz	WCXZVBKXPFBMSM-YESZJQIVSA-N	1	0	361.490	1.720	20	30		FDEDRO
C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000565137676	547215934	/nfs/dbraw/zinc/21/59/34/547215934.db2.gz	WCXZVBKXPFBMSM-GVDBMIGSSA-N	1	0	361.490	1.720	20	30		FDEDRO
Cc1ccc(C[C@H](CO)[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)cc1	ZINC000565540125	547390862	/nfs/dbraw/zinc/39/08/62/547390862.db2.gz	IYVPCGYIHWYKHS-WOJBJXKFSA-N	1	0	354.450	1.994	20	30		FDEDRO
Cc1ccc(C[C@@H](CO)[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)cc1	ZINC000565540122	547391304	/nfs/dbraw/zinc/39/13/04/547391304.db2.gz	IYVPCGYIHWYKHS-PMACEKPBSA-N	1	0	354.450	1.994	20	30		FDEDRO
C[C@@]1(CNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CCC[NH2+]C1	ZINC000565645577	547429501	/nfs/dbraw/zinc/42/95/01/547429501.db2.gz	DGTOZQLQWMBLFU-LJQANCHMSA-N	1	0	359.449	1.919	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3CCCC[C@H]3[NH3+])C2=O)cc1	ZINC000566104503	547604618	/nfs/dbraw/zinc/60/46/18/547604618.db2.gz	MUVCVOWDZYZPGD-ZACQAIPSSA-N	1	0	355.442	1.228	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]CC2(N3CCCC3)CCOCC2)cc1	ZINC000566107040	547606925	/nfs/dbraw/zinc/60/69/25/547606925.db2.gz	DOJKDDKXPMKZPL-IBGZPJMESA-N	1	0	373.497	1.727	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]Cc1cc(Cl)ccc1N1CCOCC1	ZINC000566125397	547615901	/nfs/dbraw/zinc/61/59/01/547615901.db2.gz	RIZAPGVDODFPAV-KRWDZBQOSA-N	1	0	366.893	1.473	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1	ZINC000566407870	547744162	/nfs/dbraw/zinc/74/41/62/547744162.db2.gz	WNQZGFMKXZYCKA-CZUORRHYSA-N	1	0	354.414	1.239	20	30		FDEDRO
CO[C@H]1CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000567083649	547988877	/nfs/dbraw/zinc/98/88/77/547988877.db2.gz	XSILSCHWZUAUCS-ROUUACIJSA-N	1	0	372.469	1.132	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2nnc(C)s2)CC1	ZINC000567378606	548097820	/nfs/dbraw/zinc/09/78/20/548097820.db2.gz	CZDWPVYXDLFRNO-NSHDSACASA-N	1	0	351.476	1.180	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1	ZINC000567605119	548178272	/nfs/dbraw/zinc/17/82/72/548178272.db2.gz	DGKKAKRLBLVGBA-LSDHHAIUSA-N	1	0	354.414	1.649	20	30		FDEDRO
C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)N1CCC[C@H](C)C1	ZINC000567679199	548208691	/nfs/dbraw/zinc/20/86/91/548208691.db2.gz	OUNZILWPAGWETQ-GJZGRUSLSA-N	1	0	350.488	1.437	20	30		FDEDRO
COC(=O)c1cccc(CC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)c1	ZINC000567685810	548212801	/nfs/dbraw/zinc/21/28/01/548212801.db2.gz	NAFHVOWKQHWARK-UHFFFAOYSA-N	1	0	372.446	1.951	20	30		FDEDRO
Cc1ccc([C@@H](OC[C@H](O)C[NH2+]CC(=O)NCC#N)c2ccccc2)cc1	ZINC000567707381	548222930	/nfs/dbraw/zinc/22/29/30/548222930.db2.gz	SASMZJJBKFMJKR-CTNGQTDRSA-N	1	0	367.449	1.691	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1	ZINC000567721697	548228306	/nfs/dbraw/zinc/22/83/06/548228306.db2.gz	KCNRBIRERQEHTO-HNNXBMFYSA-N	1	0	358.442	1.071	20	30		FDEDRO
C=CCn1c(C(=O)NC(C)C)nnc1N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1	ZINC000568834600	548696207	/nfs/dbraw/zinc/69/62/07/548696207.db2.gz	MIFLWSIHFMLZCG-OWCLPIDISA-N	1	0	360.506	1.769	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(c2cnccc2C#N)CC1	ZINC000569298353	548865212	/nfs/dbraw/zinc/86/52/12/548865212.db2.gz	QXOYMWMVJGKIDP-YOEHRIQHSA-N	1	0	354.458	1.268	20	30		FDEDRO
COC[C@H](C)CS(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000569411352	548907751	/nfs/dbraw/zinc/90/77/51/548907751.db2.gz	FKDMINWEOCJDIB-HNNXBMFYSA-N	1	0	353.488	1.534	20	30		FDEDRO
Cn1ncc(C(=O)N2CCC[C@@H](c3n[nH]cc3C[NH+]3CCCC3)C2)c1C#N	ZINC000569519132	548947193	/nfs/dbraw/zinc/94/71/93/548947193.db2.gz	YTRAJZUJGNDLCU-CQSZACIVSA-N	1	0	367.457	1.630	20	30		FDEDRO
C[NH+](C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)CCC(C)(C)C#N	ZINC000569703476	549019383	/nfs/dbraw/zinc/01/93/83/549019383.db2.gz	ZXSRWWPFWQJUEE-UHFFFAOYSA-N	1	0	361.508	1.461	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)c1C#N	ZINC000570140601	549171783	/nfs/dbraw/zinc/17/17/83/549171783.db2.gz	SXHDXPLIJXUJKU-UHFFFAOYSA-N	1	0	374.408	1.743	20	30		FDEDRO
C[N@H+](CCOCc1ccc(C#N)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000570361015	549252344	/nfs/dbraw/zinc/25/23/44/549252344.db2.gz	HJXZUCKRTXZNGD-QGZVFWFLSA-N	1	0	359.386	1.172	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]C2CCN(c3cccnn3)CC2)cc1	ZINC000570509839	549305513	/nfs/dbraw/zinc/30/55/13/549305513.db2.gz	OVDVZQBRDIKCIZ-GOSISDBHSA-N	1	0	367.453	1.541	20	30		FDEDRO
N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c1	ZINC000570689925	549376546	/nfs/dbraw/zinc/37/65/46/549376546.db2.gz	BFRDTFRIMGHKBK-OAHLLOKOSA-N	1	0	350.426	2.139	20	30		FDEDRO
C=CCCCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1	ZINC000570881735	549446625	/nfs/dbraw/zinc/44/66/25/549446625.db2.gz	SGHZHHFNGBFFGR-UHFFFAOYSA-N	1	0	353.413	1.937	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCN(c3ccccc3F)C2=O)cc1	ZINC000570921210	549460806	/nfs/dbraw/zinc/46/08/06/549460806.db2.gz	QDYHVKPNJANNHE-MAUKXSAKSA-N	1	0	369.396	1.832	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)NCC[C@@H]3CC[NH2+]C3)n2)c(Cl)c1	ZINC000571028116	549498223	/nfs/dbraw/zinc/49/82/23/549498223.db2.gz	BFQCPOLKDRHOAZ-LBPRGKRZSA-N	1	0	358.833	2.518	20	30		FDEDRO
CCC(CC)[C@H](CNC(=O)C(=O)Nc1cccc(C#N)n1)[NH+]1CCCC1	ZINC000571080337	549519456	/nfs/dbraw/zinc/51/94/56/549519456.db2.gz	VMYQIRITZYXZTF-INIZCTEOSA-N	1	0	357.458	1.909	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000571156631	549545967	/nfs/dbraw/zinc/54/59/67/549545967.db2.gz	GSMLMASMCHXNJW-OLMNPRSZSA-N	1	0	366.483	1.702	20	30		FDEDRO
N#CCCC1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC1	ZINC000571208237	549565899	/nfs/dbraw/zinc/56/58/99/549565899.db2.gz	LRFSNIICKDMNLG-UHFFFAOYSA-N	1	0	356.426	1.649	20	30		FDEDRO
C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1	ZINC000571585948	549699081	/nfs/dbraw/zinc/69/90/81/549699081.db2.gz	FYPJKNPXBLEFIF-KRWDZBQOSA-N	1	0	364.471	1.039	20	30		FDEDRO
N#CCCN(C(=O)C[NH2+][C@@H](CO)C1CCOCC1)c1cccc(Cl)c1	ZINC000572554322	549941810	/nfs/dbraw/zinc/94/18/10/549941810.db2.gz	SXNRTILFWIKLOX-KRWDZBQOSA-N	1	0	365.861	1.964	20	30		FDEDRO
C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000572762035	549989203	/nfs/dbraw/zinc/98/92/03/549989203.db2.gz	SJEFNYFDASQGQU-RKDXNWHRSA-N	1	0	358.320	1.637	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc2C1=O	ZINC000572958874	550032349	/nfs/dbraw/zinc/03/23/49/550032349.db2.gz	PTBJBLSTRPCRGH-HZPDHXFCSA-N	1	0	367.449	1.930	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]CC(=O)N2CCc3ccccc32)cc1	ZINC000573199199	550085329	/nfs/dbraw/zinc/08/53/29/550085329.db2.gz	OKTWRVKMVNETEX-GOSISDBHSA-N	1	0	365.433	1.671	20	30		FDEDRO
CC[NH+]1CCC(CNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1	ZINC000573309277	550108657	/nfs/dbraw/zinc/10/86/57/550108657.db2.gz	SHPWBWNIZQQOLM-UHFFFAOYSA-N	1	0	359.474	1.901	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1	ZINC000573317819	550109922	/nfs/dbraw/zinc/10/99/22/550109922.db2.gz	WYNDMRMRBLSNSC-AWEZNQCLSA-N	1	0	360.336	1.910	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCN(c3ncccc3F)C2)cc1	ZINC000573597215	550174057	/nfs/dbraw/zinc/17/40/57/550174057.db2.gz	ZAGOLCREGQJVRK-OAHLLOKOSA-N	1	0	374.441	1.735	20	30		FDEDRO
C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)C2)C1	ZINC000573895704	550227778	/nfs/dbraw/zinc/22/77/78/550227778.db2.gz	GBITWZMKYPWJPT-LJQANCHMSA-N	1	0	368.416	2.443	20	30		FDEDRO
O=S1(=O)CCC(O)(C[NH2+]CC#Cc2cccc(C(F)(F)F)c2)CC1	ZINC000573913689	550230975	/nfs/dbraw/zinc/23/09/75/550230975.db2.gz	DQKHUEPYPPLZDB-UHFFFAOYSA-N	1	0	361.385	1.586	20	30		FDEDRO
COC(=O)c1ccc(NCc2ccc(N3CC[NH+](C)CC3)nc2)c(C#N)n1	ZINC000573934392	550234741	/nfs/dbraw/zinc/23/47/41/550234741.db2.gz	WJSAEDXRHZPYJT-UHFFFAOYSA-N	1	0	366.425	1.499	20	30		FDEDRO
C[C@@H]1C[N@@H+](CC2CCN(Cc3cnc4c(C#N)cnn4c3)CC2)C[C@H](C)O1	ZINC000574277796	550287459	/nfs/dbraw/zinc/28/74/59/550287459.db2.gz	OSWWCTBTEBEALM-IYBDPMFKSA-N	1	0	368.485	1.922	20	30		FDEDRO
C[C@@H]1C[NH+](CC2CCN(Cc3cnc4c(C#N)cnn4c3)CC2)C[C@@H](C)O1	ZINC000574277795	550287657	/nfs/dbraw/zinc/28/76/57/550287657.db2.gz	OSWWCTBTEBEALM-HZPDHXFCSA-N	1	0	368.485	1.922	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H](O)Cc2cccc(F)c2)cc1	ZINC000574324358	550296089	/nfs/dbraw/zinc/29/60/89/550296089.db2.gz	XSEJTWNXQBBXMS-KRWDZBQOSA-N	1	0	362.426	1.664	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C[C@H]2CCCO2)C2CCCC2)CC1	ZINC000574406989	550309524	/nfs/dbraw/zinc/30/95/24/550309524.db2.gz	AQJNOCPRVJNIAB-GOSISDBHSA-N	1	0	363.502	1.703	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)c1ccc(Cl)cc1	ZINC000574468104	550319171	/nfs/dbraw/zinc/31/91/71/550319171.db2.gz	CTZSLAAGCUCLRG-OAHLLOKOSA-N	1	0	371.828	1.964	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@H](CO)Cc2ccc(F)cc2)cc1	ZINC000574519757	550327548	/nfs/dbraw/zinc/32/75/48/550327548.db2.gz	ZZLBEIBPZIKMKK-RBUKOAKNSA-N	1	0	358.413	1.825	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1	ZINC000574739730	550362221	/nfs/dbraw/zinc/36/22/21/550362221.db2.gz	CHIXTDCIJLDUKU-MAUKXSAKSA-N	1	0	369.469	1.979	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)NCc2ccc(C#N)c(OC)c2)CC1	ZINC000574804664	550373214	/nfs/dbraw/zinc/37/32/14/550373214.db2.gz	OTUGRSPBHOCNRY-MRXNPFEDSA-N	1	0	373.501	1.640	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N1CC[C@@]2(CC[NH2+]C2)C1	ZINC000574811054	550374815	/nfs/dbraw/zinc/37/48/15/550374815.db2.gz	SGNJTQJXZRHUNI-CQSZACIVSA-N	1	0	370.272	1.695	20	30		FDEDRO
CN(C)C(=O)c1cccc(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)c1	ZINC000575826528	550480107	/nfs/dbraw/zinc/48/01/07/550480107.db2.gz	TZACUDCBGWPGPE-LJQANCHMSA-N	1	0	367.449	1.984	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1	ZINC000575972861	550496897	/nfs/dbraw/zinc/49/68/97/550496897.db2.gz	AMYJXGDHYVTPSC-RTBURBONSA-N	1	0	372.469	1.865	20	30		FDEDRO
CN1CC[NH+](CC2CCN(C(=O)NCC#Cc3cccc(F)c3)CC2)CC1	ZINC000576175134	550519831	/nfs/dbraw/zinc/51/98/31/550519831.db2.gz	OZGDAYBSPKHTJR-UHFFFAOYSA-N	1	0	372.488	1.846	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C)C[C@@H]2CC)cc1	ZINC000576542569	550560840	/nfs/dbraw/zinc/56/08/40/550560840.db2.gz	PMQHNSHSBZFBIN-HNNXBMFYSA-N	1	0	351.472	1.317	20	30		FDEDRO
C[C@]1(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCC(=O)N1	ZINC000576559466	550562189	/nfs/dbraw/zinc/56/21/89/550562189.db2.gz	GBEJMSGMBRFKMX-HXUWFJFHSA-N	1	0	369.469	1.444	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1	ZINC000576902438	550598439	/nfs/dbraw/zinc/59/84/39/550598439.db2.gz	ALAHDXGKOUJUQG-QZTJIDSGSA-N	1	0	365.518	1.808	20	30		FDEDRO
Cc1ccc([C@@H](CN2CCOCC2)[NH2+]C[C@H](O)CN(C)CCC#N)cc1	ZINC000576958845	550604687	/nfs/dbraw/zinc/60/46/87/550604687.db2.gz	UOELHBWOSONPDM-VQTJNVASSA-N	1	0	360.502	1.164	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H]([N@H+]3C[C@@H](c4ccccc4)[C@H](C(N)=O)C3)C2=O)cc1	ZINC000578420619	550761480	/nfs/dbraw/zinc/76/14/80/550761480.db2.gz	HUMUWILSMOPSIO-XUVXKRRUSA-N	1	0	374.444	1.864	20	30		FDEDRO
N#Cc1ccc(NC(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1	ZINC000578483267	550767980	/nfs/dbraw/zinc/76/79/80/550767980.db2.gz	JLNZHKJAIFUTQW-NVXWUHKLSA-N	1	0	355.442	1.670	20	30		FDEDRO
CO[C@@]1(C)C[C@H](N(C)CCS(=O)(=O)c2ccc(C#N)cn2)C1(C)C	ZINC000578657829	550788064	/nfs/dbraw/zinc/78/80/64/550788064.db2.gz	AIKJPPKORZSCOD-YOEHRIQHSA-N	1	0	351.472	1.862	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]CCc2nnnn2-c2ccccc2)cc1	ZINC000578760614	550798894	/nfs/dbraw/zinc/79/88/94/550798894.db2.gz	UFZIKVKUDCGKGH-KRWDZBQOSA-N	1	0	364.409	1.106	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C	ZINC000578975350	550821294	/nfs/dbraw/zinc/82/12/94/550821294.db2.gz	QLJWKGJMCNPSEI-QGZVFWFLSA-N	1	0	356.470	1.753	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2nc(-c3cnn(C)c3)cs2)CC1	ZINC000579239401	550851448	/nfs/dbraw/zinc/85/14/48/550851448.db2.gz	UMZPRNNLCMDGOX-UHFFFAOYSA-N	1	0	374.470	1.249	20	30		FDEDRO
C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)NCc1ccc(CC#N)cc1	ZINC000579472915	550877462	/nfs/dbraw/zinc/87/74/62/550877462.db2.gz	WISPXUUOFFMKEY-HOTGVXAUSA-N	1	0	356.470	1.748	20	30		FDEDRO
CNC(=O)c1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cc1	ZINC000579543114	550883949	/nfs/dbraw/zinc/88/39/49/550883949.db2.gz	FBYSXGAZMDLXEX-UHFFFAOYSA-N	1	0	357.435	1.481	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCOC(C)(C)C1)C(C)C	ZINC000579740498	550905685	/nfs/dbraw/zinc/90/56/85/550905685.db2.gz	HDDIJQUYCXYUBI-INIZCTEOSA-N	1	0	351.491	1.439	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@@H](OC(C)C)C3)CC2)o1	ZINC000579833016	550915241	/nfs/dbraw/zinc/91/52/41/550915241.db2.gz	DIWMVGHXZHZISQ-OAHLLOKOSA-N	1	0	361.446	1.003	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2ccc(N3CCCC3)nc2)nc1	ZINC000580063909	550939205	/nfs/dbraw/zinc/93/92/05/550939205.db2.gz	AVMMHIVVXODIJE-UHFFFAOYSA-N	1	0	371.466	1.512	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CCCNC(=O)[C@H]2CC=CCC2)c1C#N	ZINC000580143848	550947449	/nfs/dbraw/zinc/94/74/49/550947449.db2.gz	IBMODWPZXHQZRG-AWEZNQCLSA-N	1	0	372.473	1.625	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCc2ccc3c(c2)OCCO3)cc1	ZINC000580995096	551040725	/nfs/dbraw/zinc/04/07/25/551040725.db2.gz	HGWNJHNOMOHJND-UHFFFAOYSA-N	1	0	372.446	1.935	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]([C@H]2CCCO2)C2(CO)CCC2)cc1	ZINC000582301467	551204557	/nfs/dbraw/zinc/20/45/57/551204557.db2.gz	HWMUIFRGKSILCO-BHIYHBOVSA-N	1	0	360.454	1.598	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH2+]CCC1CCS(=O)(=O)CC1	ZINC000582900207	551278857	/nfs/dbraw/zinc/27/88/57/551278857.db2.gz	HJRUCRHCNNLMBS-GOSISDBHSA-N	1	0	367.511	1.959	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)NCC3=CC[NH2+]CC3)C2)c(F)c1	ZINC000583073164	551299661	/nfs/dbraw/zinc/29/96/61/551299661.db2.gz	HWIRMIUTKAOVTQ-INIZCTEOSA-N	1	0	357.433	1.885	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCc2cccc(F)c2F)nc1	ZINC000583199687	551317705	/nfs/dbraw/zinc/31/77/05/551317705.db2.gz	YLHBUTQNTYNPJN-UHFFFAOYSA-N	1	0	351.378	1.837	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]CCCNC(=O)c2ccc(F)cc2)cc1	ZINC000583258068	551326080	/nfs/dbraw/zinc/32/60/80/551326080.db2.gz	FHXCARFMUGHTSV-SFHVURJKSA-N	1	0	371.412	1.847	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@H+](Cc1ccccc1)C[C@@]1(O)CCO[C@H]1C	ZINC000583361903	551340087	/nfs/dbraw/zinc/34/00/87/551340087.db2.gz	PCULIPJKADCBEL-PXNSSMCTSA-N	1	0	359.470	1.791	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)NCc2ccc(C#N)cc2)(N2CCOCC2)CC1	ZINC000583427671	551350016	/nfs/dbraw/zinc/35/00/16/551350016.db2.gz	RSFGAQNYAGKIBU-UHFFFAOYSA-N	1	0	371.485	1.154	20	30		FDEDRO
COc1cc([C@@H](C)[NH2+]Cc2cnc3c(C#N)cnn3c2)ccc1OCCO	ZINC000583604956	551375503	/nfs/dbraw/zinc/37/55/03/551375503.db2.gz	XDQHKRQOBPZZGS-CYBMUJFWSA-N	1	0	367.409	1.831	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCC([NH2+]CCOC)CC1	ZINC000583636796	551380560	/nfs/dbraw/zinc/38/05/60/551380560.db2.gz	LVFBVOKFLCQLFH-UHFFFAOYSA-N	1	0	359.470	1.428	20	30		FDEDRO
CNC(=O)C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccccc1	ZINC000583864795	551412475	/nfs/dbraw/zinc/41/24/75/551412475.db2.gz	VIKYINCGXPFUOH-QUCCMNQESA-N	1	0	367.449	1.959	20	30		FDEDRO
CC1=CC[N@H+](CCNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1	ZINC000584267834	551472341	/nfs/dbraw/zinc/47/23/41/551472341.db2.gz	MUESBRVCHFHTAO-QGZVFWFLSA-N	1	0	355.442	1.768	20	30		FDEDRO
C[NH+](C)[C@H]1CN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C[C@@H]1O	ZINC000584479074	551503682	/nfs/dbraw/zinc/50/36/82/551503682.db2.gz	LEUOUJMAIWXLGW-PMACEKPBSA-N	1	0	365.433	1.884	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)c(F)c1	ZINC000585724959	551587705	/nfs/dbraw/zinc/58/77/05/551587705.db2.gz	CSHLZLVSZWDUTO-UHFFFAOYSA-N	1	0	358.417	1.304	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1	ZINC000585800666	551606851	/nfs/dbraw/zinc/60/68/51/551606851.db2.gz	DVZVCDMZDFDRRP-MDNKFWRPSA-N	1	0	360.454	1.550	20	30		FDEDRO
C[C@]1(O)CCOC[C@H]1[C@H]1CCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1	ZINC000585800896	551607123	/nfs/dbraw/zinc/60/71/23/551607123.db2.gz	RWCNTFSLPVBXQU-NSHGMRRFSA-N	1	0	357.454	1.426	20	30		FDEDRO
C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)NCc1ccc(C#N)cc1F	ZINC000586859018	551626697	/nfs/dbraw/zinc/62/66/97/551626697.db2.gz	PEAYRUHKDVJUSK-OKILXGFUSA-N	1	0	360.433	1.693	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)NCc1ccc(C#N)cc1F)[N@@H+]1CCC[C@H](C)C1	ZINC000586863521	551627468	/nfs/dbraw/zinc/62/74/68/551627468.db2.gz	PZOVUVHIPKAMLX-UONOGXRCSA-N	1	0	360.433	1.550	20	30		FDEDRO
C[NH+](C)CCCC1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1	ZINC000586863581	551627496	/nfs/dbraw/zinc/62/74/96/551627496.db2.gz	SZXXYEQOCAAITJ-UHFFFAOYSA-N	1	0	374.460	1.894	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)c(F)c1	ZINC000586862528	551627634	/nfs/dbraw/zinc/62/76/34/551627634.db2.gz	ZOHOUFLNQSNKRX-UHFFFAOYSA-N	1	0	358.417	1.304	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1cccc(C#N)c1	ZINC000587703547	551634143	/nfs/dbraw/zinc/63/41/43/551634143.db2.gz	LABJDRIMJNHQAO-CRAIPNDOSA-N	1	0	354.454	1.822	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)c1cccc(C#N)c1	ZINC000587699729	551634156	/nfs/dbraw/zinc/63/41/56/551634156.db2.gz	BHEBJHRGWNVKBI-AWEZNQCLSA-N	1	0	354.454	1.726	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CCCC(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1	ZINC000588860574	551694155	/nfs/dbraw/zinc/69/41/55/551694155.db2.gz	ITPQNOVVFKRRFC-IRXDYDNUSA-N	1	0	370.453	1.335	20	30		FDEDRO
COCC[N@@H+]1CC[C@@H](NC(=O)N(C)CCOCc2ccc(C#N)cc2)C1	ZINC000588884457	551696410	/nfs/dbraw/zinc/69/64/10/551696410.db2.gz	URQOKIRIQPEONC-GOSISDBHSA-N	1	0	360.458	1.437	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2CN2CCOCC2)cc1	ZINC000589055079	551707139	/nfs/dbraw/zinc/70/71/39/551707139.db2.gz	FKRWTEJQFIFTQJ-OALUTQOASA-N	1	0	359.470	1.289	20	30		FDEDRO
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2cc(O)cc(C#N)c2)CC1	ZINC000589175117	551715601	/nfs/dbraw/zinc/71/56/01/551715601.db2.gz	COXKPRLWQYMFJF-HZPDHXFCSA-N	1	0	356.470	1.894	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)c2cccc(C#N)n2)CC1	ZINC000589430600	551729428	/nfs/dbraw/zinc/72/94/28/551729428.db2.gz	XPUMESCEKBEFKL-UHFFFAOYSA-N	1	0	371.485	1.654	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)N1CCOC[C@H]1[C@@H]1CCC[N@@H+]1C	ZINC000590562457	551792587	/nfs/dbraw/zinc/79/25/87/551792587.db2.gz	LLHKWQIERNHXRP-HOTGVXAUSA-N	1	0	359.426	1.267	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H](c3ccccn3)C2)CC1	ZINC000590600829	551797450	/nfs/dbraw/zinc/79/74/50/551797450.db2.gz	NPNNWVNQAKBPRH-ICSRJNTNSA-N	1	0	369.513	1.953	20	30		FDEDRO
C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1	ZINC000591289643	551856768	/nfs/dbraw/zinc/85/67/68/551856768.db2.gz	KBOPKAJPFYCLGS-OAHLLOKOSA-N	1	0	365.393	1.504	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NCC[NH2+]C2CC2)ccc1OC(F)(F)F	ZINC000591294676	551857372	/nfs/dbraw/zinc/85/73/72/551857372.db2.gz	GGIXDCLAUKKHDG-UHFFFAOYSA-N	1	0	356.304	1.264	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1	ZINC000591297457	551857860	/nfs/dbraw/zinc/85/78/60/551857860.db2.gz	CHVIJYXNSLXINO-JGGQBBKZSA-N	1	0	368.416	2.474	20	30		FDEDRO
CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	ZINC000591297643	551857915	/nfs/dbraw/zinc/85/79/15/551857915.db2.gz	TWICRZFOOYIJPB-MRXNPFEDSA-N	1	0	367.409	1.784	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1	ZINC000591304484	551859427	/nfs/dbraw/zinc/85/94/27/551859427.db2.gz	GQZUXSAUARFCAL-ZBFHGGJFSA-N	1	0	356.426	1.494	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@H]4CC[NH2+][C@H]4C3)C2=O)cc1	ZINC000591356527	551865568	/nfs/dbraw/zinc/86/55/68/551865568.db2.gz	JLHUMKJSYQYGJA-NJAFHUGGSA-N	1	0	367.453	1.447	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1	ZINC000591359677	551865911	/nfs/dbraw/zinc/86/59/11/551865911.db2.gz	JJKZOWXSEAPGQY-CABCVRRESA-N	1	0	372.473	1.773	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1	ZINC000591572817	551880822	/nfs/dbraw/zinc/88/08/22/551880822.db2.gz	AYFOYAKNJWRIMG-OALUTQOASA-N	1	0	368.481	1.755	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1	ZINC000591728854	551904155	/nfs/dbraw/zinc/90/41/55/551904155.db2.gz	ZRBKDIZNAXZCOY-IRXDYDNUSA-N	1	0	350.532	1.756	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2cc3c([nH]c2=O)CCC3)cc1	ZINC000591739693	551904987	/nfs/dbraw/zinc/90/49/87/551904987.db2.gz	SMYPQLDXMCRWQC-KRWDZBQOSA-N	1	0	353.422	1.871	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+]CCS(=O)(=O)c3ccccc3)CC2)nc1	ZINC000591737109	551905189	/nfs/dbraw/zinc/90/51/89/551905189.db2.gz	WJOIZTWHVQGLAC-UHFFFAOYSA-N	1	0	370.478	1.986	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[C@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000591742480	551905377	/nfs/dbraw/zinc/90/53/77/551905377.db2.gz	NUYOPVUAPQPYED-HOTGVXAUSA-N	1	0	363.483	1.569	20	30		FDEDRO
CS(=O)(=O)c1cccc(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)c1	ZINC000591770577	551907524	/nfs/dbraw/zinc/90/75/24/551907524.db2.gz	NKFKHJBBWBPMKM-KRWDZBQOSA-N	1	0	374.462	1.686	20	30		FDEDRO
CC[C@@H](CNC(=O)N1CC[C@@](O)(CC#N)C1)[N@@H+]1CCc2ccccc2C1	ZINC000591913079	551916118	/nfs/dbraw/zinc/91/61/18/551916118.db2.gz	UGRNXYVTSWYAHE-ICSRJNTNSA-N	1	0	356.470	1.883	20	30		FDEDRO
N#CC[C@]1(O)CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1	ZINC000591959283	551920585	/nfs/dbraw/zinc/92/05/85/551920585.db2.gz	ZRARRZRZUUONCB-SFHVURJKSA-N	1	0	366.531	1.798	20	30		FDEDRO
N#CC[C@]1(O)CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1	ZINC000592018757	551927544	/nfs/dbraw/zinc/92/75/44/551927544.db2.gz	XRNDZWUWKNRMBW-ICSRJNTNSA-N	1	0	372.469	1.338	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cccc(S(=O)(=O)NCC)c2)CC1	ZINC000592070439	551935701	/nfs/dbraw/zinc/93/57/01/551935701.db2.gz	OKMGHETVMCSSNV-UHFFFAOYSA-N	1	0	351.472	1.365	20	30		FDEDRO
CCCN(C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C)[C@@H]1CC[N@H+](C)C1	ZINC000592248725	551967313	/nfs/dbraw/zinc/96/73/13/551967313.db2.gz	RJZDAGSDEDPWMP-MRXNPFEDSA-N	1	0	367.457	2.395	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCOC3(CC[NH+](C)CC3)C2)c1	ZINC000592312975	551978492	/nfs/dbraw/zinc/97/84/92/551978492.db2.gz	FPIVYJDVQSXIEF-UHFFFAOYSA-N	1	0	356.426	1.128	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1C(F)(F)F	ZINC000592381305	551986449	/nfs/dbraw/zinc/98/64/49/551986449.db2.gz	GMRXOPMWOICALN-HZMBPMFUSA-N	1	0	359.373	1.950	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N[C@H]1CCC[NH2+]CC1	ZINC000592387343	551987532	/nfs/dbraw/zinc/98/75/32/551987532.db2.gz	NDYNLWYWSVJAGJ-JTQLQIEISA-N	1	0	358.261	1.741	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H]1CC12CC[NH2+]CC2	ZINC000592389985	551988069	/nfs/dbraw/zinc/98/80/69/551988069.db2.gz	GAPGHYNDCKDLHP-CYBMUJFWSA-N	1	0	370.272	1.741	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@H](O)COc2c(C)cccc2C)CC1	ZINC000592526151	552005045	/nfs/dbraw/zinc/00/50/45/552005045.db2.gz	WJBFOMCOEJSFBZ-SFHVURJKSA-N	1	0	361.486	1.993	20	30		FDEDRO
N#CC[C@@]1(O)CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1	ZINC000592841922	552034740	/nfs/dbraw/zinc/03/47/40/552034740.db2.gz	WZVXWOCJRHEITQ-HXUWFJFHSA-N	1	0	356.470	1.466	20	30		FDEDRO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(C)(C)c1cc(F)cc(C#N)c1	ZINC000592875385	552037713	/nfs/dbraw/zinc/03/77/13/552037713.db2.gz	XEOOKUAJWRIQGE-ZDUSSCGKSA-N	1	0	360.433	1.553	20	30		FDEDRO
C[NH+](C)CCN1CCN(Cc2ccc(Br)cc2C#N)CC1=O	ZINC000593048644	552056332	/nfs/dbraw/zinc/05/63/32/552056332.db2.gz	GRJYAYYTSSCYPF-UHFFFAOYSA-N	1	0	365.275	1.527	20	30		FDEDRO
COCCOCCN1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000593118956	552064716	/nfs/dbraw/zinc/06/47/16/552064716.db2.gz	XKFVNAVYQMGHBC-UHFFFAOYSA-N	1	0	360.458	1.167	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(N3C(=O)[C@@H]4[C@H](O)CCCN4C3=O)CC2)c1	ZINC000593232894	552075102	/nfs/dbraw/zinc/07/51/02/552075102.db2.gz	RXFWMHFNCJYQHD-MSOLQXFVSA-N	1	0	368.437	1.310	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1	ZINC000593234651	552075444	/nfs/dbraw/zinc/07/54/44/552075444.db2.gz	LEWYQIKPCHQWDG-IBGZPJMESA-N	1	0	372.469	1.194	20	30		FDEDRO
Cn1nc(C2CC2)nc1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593250026	552076845	/nfs/dbraw/zinc/07/68/45/552076845.db2.gz	SUPRZTVCSDLCFJ-UHFFFAOYSA-N	1	0	364.453	1.959	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)Cn3ccc([N+](=O)[O-])n3)CC2)c1	ZINC000593354710	552094821	/nfs/dbraw/zinc/09/48/21/552094821.db2.gz	KJGDNZHLTFVWSH-UHFFFAOYSA-N	1	0	368.397	1.444	20	30		FDEDRO
CN1CC[C@@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1=O	ZINC000593356189	552095117	/nfs/dbraw/zinc/09/51/17/552095117.db2.gz	UFKYKEWOXWJZDK-QGZVFWFLSA-N	1	0	354.454	1.507	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCc2nnnn2-c2ccccc2)CC1	ZINC000593367195	552096344	/nfs/dbraw/zinc/09/63/44/552096344.db2.gz	YDHNIWPKPXKVGF-UHFFFAOYSA-N	1	0	355.446	1.502	20	30		FDEDRO
C[NH+](C)CCN1CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)CC1=O	ZINC000593408041	552104161	/nfs/dbraw/zinc/10/41/61/552104161.db2.gz	YPCWQVRCLIWBTF-GOSISDBHSA-N	1	0	371.485	1.837	20	30		FDEDRO
CNC(=O)C[C@H](C)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593411044	552104721	/nfs/dbraw/zinc/10/47/21/552104721.db2.gz	DELNNXFHMCUCCX-AWEZNQCLSA-N	1	0	357.458	1.346	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CC1(Cn2cnnn2)CCCCC1	ZINC000593418952	552105462	/nfs/dbraw/zinc/10/54/62/552105462.db2.gz	OSXWIISDPIEZQZ-UHFFFAOYSA-N	1	0	361.494	1.708	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@H]3C[C@@H](C(N)=O)C3)CC2)c1	ZINC000593453108	552110796	/nfs/dbraw/zinc/11/07/96/552110796.db2.gz	PIGNFLRTXDPLGX-WOVMCDHWSA-N	1	0	355.442	1.086	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCO[C@H](CF)C3)CC2)c1	ZINC000593514707	552120750	/nfs/dbraw/zinc/12/07/50/552120750.db2.gz	ABZTUVIEJCUVLM-GOSISDBHSA-N	1	0	360.433	1.903	20	30		FDEDRO
CC1(C)[C@H](O)C[C@@H]1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593514218	552120803	/nfs/dbraw/zinc/12/08/03/552120803.db2.gz	TZRZLVJQIMWFMA-ZWKOTPCHSA-N	1	0	356.470	1.981	20	30		FDEDRO
COC(=O)c1nccnc1NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593516819	552121056	/nfs/dbraw/zinc/12/10/56/552121056.db2.gz	FSLZUBWYRWSEAZ-UHFFFAOYSA-N	1	0	351.410	2.211	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000593530317	552124252	/nfs/dbraw/zinc/12/42/52/552124252.db2.gz	KBKHCUKAQJKKBJ-CABCVRRESA-N	1	0	363.439	1.250	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCC([NH+](C)C)CC1	ZINC000593532520	552125150	/nfs/dbraw/zinc/12/51/50/552125150.db2.gz	XIDXVXTYNQPYOM-UHFFFAOYSA-N	1	0	351.428	1.060	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(C(C)(C)C#N)cc1	ZINC000593544138	552128710	/nfs/dbraw/zinc/12/87/10/552128710.db2.gz	QQSCNHFPAIKRPJ-HNNXBMFYSA-N	1	0	364.515	1.402	20	30		FDEDRO
CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(C#N)cc1C(=O)OC	ZINC000593590885	552145494	/nfs/dbraw/zinc/14/54/94/552145494.db2.gz	KFTXAYJFIALTIU-CQSZACIVSA-N	1	0	365.455	1.450	20	30		FDEDRO
C[C@@H]1CN(CCO)[C@@H](C)CN1S(=O)(=O)c1ccc(C(C)(C)C#N)cc1	ZINC000593609231	552151095	/nfs/dbraw/zinc/15/10/95/552151095.db2.gz	SGRIUUISYORHPB-LSDHHAIUSA-N	1	0	365.499	1.563	20	30		FDEDRO
Cn1nccc1NC(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593720386	552182445	/nfs/dbraw/zinc/18/24/45/552182445.db2.gz	BRRQZSMCMWNKEP-UHFFFAOYSA-N	1	0	366.425	1.011	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)NCc3ccc(C[NH3+])cc3F)CC2)c1	ZINC000593722881	552182774	/nfs/dbraw/zinc/18/27/74/552182774.db2.gz	QZZOETPHBGOJFP-UHFFFAOYSA-N	1	0	368.416	1.583	20	30		FDEDRO
Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc(C(C)(C)C#N)cc3)C[C@H]2[NH3+])cn1	ZINC000593729185	552184623	/nfs/dbraw/zinc/18/46/23/552184623.db2.gz	QAZWFAWKRVTNEC-DLBZAZTESA-N	1	0	373.482	1.337	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CCCN3C(N)=O)CC2)c1	ZINC000593882815	552216506	/nfs/dbraw/zinc/21/65/06/552216506.db2.gz	MNWOKIDMFBOTBY-KRWDZBQOSA-N	1	0	355.442	1.182	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc(C(N)=O)o3)CC2)c1	ZINC000593885688	552217053	/nfs/dbraw/zinc/21/70/53/552217053.db2.gz	LBBIXJAHKYMRHB-UHFFFAOYSA-N	1	0	352.394	1.645	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)C3(CO)CCOCC3)CC2)c1	ZINC000593885345	552217142	/nfs/dbraw/zinc/21/71/42/552217142.db2.gz	CNYHVDWGRKRRPG-UHFFFAOYSA-N	1	0	357.454	1.428	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c1C#N	ZINC000593894246	552219562	/nfs/dbraw/zinc/21/95/62/552219562.db2.gz	ZMJRVYWNKNEIDK-UHFFFAOYSA-N	1	0	360.349	1.662	20	30		FDEDRO
CSC[C@@H](C)NC(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593928845	552228181	/nfs/dbraw/zinc/22/81/81/552228181.db2.gz	KEUXSASKKPXOON-CQSZACIVSA-N	1	0	374.510	1.507	20	30		FDEDRO
N#Cc1ccc(C2([NH2+]CC(=O)NC(=O)NCC(F)(F)F)CCC2)cc1	ZINC000594032981	552241664	/nfs/dbraw/zinc/24/16/64/552241664.db2.gz	UIDMSPBONJUJIA-UHFFFAOYSA-N	1	0	354.332	1.915	20	30		FDEDRO
C[C@H](O)C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C1CC1	ZINC000594065798	552245581	/nfs/dbraw/zinc/24/55/81/552245581.db2.gz	UVZDYEJYCJZHLZ-HOCLYGCPSA-N	1	0	362.499	1.302	20	30		FDEDRO
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1	ZINC000594255923	552271735	/nfs/dbraw/zinc/27/17/35/552271735.db2.gz	JLYZCPFHKJLFDI-GASCZTMLSA-N	1	0	359.449	1.869	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1	ZINC000594283582	552277271	/nfs/dbraw/zinc/27/72/71/552277271.db2.gz	KSGSALILXJUARI-ROUUACIJSA-N	1	0	368.485	1.802	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000594432595	552309083	/nfs/dbraw/zinc/30/90/83/552309083.db2.gz	DNDPZRXMCRXNJU-MSOLQXFVSA-N	1	0	356.470	1.748	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1	ZINC000594432478	552309097	/nfs/dbraw/zinc/30/90/97/552309097.db2.gz	AXTHVJBROKONGO-QGZVFWFLSA-N	1	0	358.442	1.945	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1	ZINC000594435163	552309159	/nfs/dbraw/zinc/30/91/59/552309159.db2.gz	AZFZZAXSVMVLAY-ROUUACIJSA-N	1	0	356.470	1.748	20	30		FDEDRO
CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]([NH3+])CCCCC#N)CC2	ZINC000594433418	552309264	/nfs/dbraw/zinc/30/92/64/552309264.db2.gz	PLJDLVNYBHSKGA-OAHLLOKOSA-N	1	0	364.471	1.285	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1	ZINC000594432477	552309357	/nfs/dbraw/zinc/30/93/57/552309357.db2.gz	AXTHVJBROKONGO-KRWDZBQOSA-N	1	0	358.442	1.945	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1	ZINC000594439821	552311285	/nfs/dbraw/zinc/31/12/85/552311285.db2.gz	QPBFGPVVIJWTMR-MRXNPFEDSA-N	1	0	367.453	1.864	20	30		FDEDRO
COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)[C@@H]([NH3+])CCCCC#N	ZINC000594441654	552311306	/nfs/dbraw/zinc/31/13/06/552311306.db2.gz	UINQHJWFQKJMGY-INIZCTEOSA-N	1	0	374.441	1.660	20	30		FDEDRO
COc1ccc(F)cc1CN1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1	ZINC000594446729	552312175	/nfs/dbraw/zinc/31/21/75/552312175.db2.gz	WZSKHATUTVSRJN-QGZVFWFLSA-N	1	0	362.449	1.890	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O	ZINC000594445897	552312377	/nfs/dbraw/zinc/31/23/77/552312377.db2.gz	NBGXROWGDUEXFO-ZWKOTPCHSA-N	1	0	356.470	1.748	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N1CCn2c(Cc3cccc(F)c3)nnc2C1	ZINC000594451710	552313248	/nfs/dbraw/zinc/31/32/48/552313248.db2.gz	BQANYMXRKGZNCV-MRXNPFEDSA-N	1	0	370.432	1.761	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000594626858	552344958	/nfs/dbraw/zinc/34/49/58/552344958.db2.gz	TZMVTCLUXYAMCZ-ZWKOTPCHSA-N	1	0	354.454	1.650	20	30		FDEDRO
COCC[NH2+]Cc1ccn(Cc2cn(Cc3ccc(C#N)cc3F)nn2)n1	ZINC000594648702	552348756	/nfs/dbraw/zinc/34/87/56/552348756.db2.gz	BHHQFBRUIYSESH-UHFFFAOYSA-N	1	0	369.404	1.318	20	30		FDEDRO
N#Cc1ccc(CN2C(=O)N[C@]3(CCC[NH2+]C3)C2=O)c(C(F)(F)F)c1	ZINC000594695872	552356905	/nfs/dbraw/zinc/35/69/05/552356905.db2.gz	KLAKVFIFZHFNBQ-HNNXBMFYSA-N	1	0	352.316	1.751	20	30		FDEDRO
N#CCC1(CS(=O)(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CC1	ZINC000594815746	552396067	/nfs/dbraw/zinc/39/60/67/552396067.db2.gz	BMPZIBSODUFCBT-KRWDZBQOSA-N	1	0	363.483	1.366	20	30		FDEDRO
N#Cc1ccccc1S(=O)(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1	ZINC000594819352	552397629	/nfs/dbraw/zinc/39/76/29/552397629.db2.gz	IPKJSNFBDCMHAS-GOSISDBHSA-N	1	0	371.462	1.603	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NCC1CC[NH+](Cc2ccncc2)CC1	ZINC000594828808	552400606	/nfs/dbraw/zinc/40/06/06/552400606.db2.gz	DTIXYGQIGJQBBD-HNNXBMFYSA-N	1	0	365.503	1.219	20	30		FDEDRO
N#Cc1csc(C[NH2+]C[C@]2(CO)COCCN2Cc2ccccc2)c1	ZINC000594990636	552433166	/nfs/dbraw/zinc/43/31/66/552433166.db2.gz	VIKWTEZJLJEEIE-IBGZPJMESA-N	1	0	357.479	1.973	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc2c(cc[nH]c2=O)c1	ZINC000595003208	552436257	/nfs/dbraw/zinc/43/62/57/552436257.db2.gz	CRQTWLOMPJYJJH-UHFFFAOYSA-N	1	0	369.425	1.161	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)s1	ZINC000595113436	552455336	/nfs/dbraw/zinc/45/53/36/552455336.db2.gz	NBWLNVPOZPPHKK-IACUBPJLSA-N	1	0	355.485	1.669	20	30		FDEDRO
C[C@@H](CCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[NH+](C)C	ZINC000595125768	552459231	/nfs/dbraw/zinc/45/92/31/552459231.db2.gz	PHYRNSHXUGXEJN-JTQLQIEISA-N	1	0	372.347	1.852	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1	ZINC000595176660	552478429	/nfs/dbraw/zinc/47/84/29/552478429.db2.gz	SSCHLJXZBYVOMC-MRXNPFEDSA-N	1	0	353.532	1.602	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NCC2([NH3+])CCCC2)cc1Br	ZINC000595238069	552501941	/nfs/dbraw/zinc/50/19/41/552501941.db2.gz	NBSQIELGTRYYJA-UHFFFAOYSA-N	1	0	365.231	1.647	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)c1	ZINC000595238898	552502470	/nfs/dbraw/zinc/50/24/70/552502470.db2.gz	IFHXTOMBWKQKDR-GOSISDBHSA-N	1	0	364.405	1.474	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)cc1C(F)(F)F	ZINC000595247865	552504618	/nfs/dbraw/zinc/50/46/18/552504618.db2.gz	IAWHTHQBTUUICV-UHFFFAOYSA-N	1	0	352.316	1.465	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CCCCC1	ZINC000595249337	552505065	/nfs/dbraw/zinc/50/50/65/552505065.db2.gz	NLTBWXBNNMGBIW-KRWDZBQOSA-N	1	0	370.453	1.876	20	30		FDEDRO
N#Cc1sccc1N1CCN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1	ZINC000595257838	552506662	/nfs/dbraw/zinc/50/66/62/552506662.db2.gz	YOVWBTLJHJSWCZ-ZDUSSCGKSA-N	1	0	371.470	1.098	20	30		FDEDRO
C[C@@H](C[NH3+])CNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595265109	552507725	/nfs/dbraw/zinc/50/77/25/552507725.db2.gz	JXTMGYRZDTYSPA-AWEZNQCLSA-N	1	0	367.457	1.375	20	30		FDEDRO
N#Cc1ccc(CCNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1	ZINC000595272811	552509498	/nfs/dbraw/zinc/50/94/98/552509498.db2.gz	DZOOHWAQCMXTPA-HNNXBMFYSA-N	1	0	369.391	1.236	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CCCCC1	ZINC000595278976	552510631	/nfs/dbraw/zinc/51/06/31/552510631.db2.gz	VKMXLFQYGBKWON-DLBZAZTESA-N	1	0	360.502	1.957	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@H](CC#N)C3)cn2)CC1	ZINC000595440320	552560531	/nfs/dbraw/zinc/56/05/31/552560531.db2.gz	ILMVHGKBAFWDHT-MRXNPFEDSA-N	1	0	356.474	1.669	20	30		FDEDRO
Cc1oc(NC(=O)CN2CCC[C@H]([NH+]3CCOCC3)CC2)c(C#N)c1C	ZINC000595470562	552567600	/nfs/dbraw/zinc/56/76/00/552567600.db2.gz	PIAATAQNLXAZJE-INIZCTEOSA-N	1	0	360.458	1.893	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)NCCc3ccc(C#N)cc3)CC2)CC1	ZINC000595488893	552571497	/nfs/dbraw/zinc/57/14/97/552571497.db2.gz	NJBBCMHCHHAPJW-UHFFFAOYSA-N	1	0	369.513	1.959	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000595589912	552588710	/nfs/dbraw/zinc/58/87/10/552588710.db2.gz	CXVHQJRSANBUKI-ZWKOTPCHSA-N	1	0	369.469	1.443	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000595589911	552588859	/nfs/dbraw/zinc/58/88/59/552588859.db2.gz	CXVHQJRSANBUKI-ROUUACIJSA-N	1	0	369.469	1.443	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2CCN(c3ccsc3C#N)CC2)CC1	ZINC000595632227	552595330	/nfs/dbraw/zinc/59/53/30/552595330.db2.gz	CAWSKYDSFTZIDC-UHFFFAOYSA-N	1	0	361.515	1.342	20	30		FDEDRO
CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000595631695	552595452	/nfs/dbraw/zinc/59/54/52/552595452.db2.gz	KDOYGRDTBBZKAC-JZXOWHBKSA-N	1	0	366.483	1.488	20	30		FDEDRO
CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000595631697	552595536	/nfs/dbraw/zinc/59/55/36/552595536.db2.gz	KDOYGRDTBBZKAC-NUJGCVRESA-N	1	0	366.483	1.488	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1	ZINC000595716526	552605806	/nfs/dbraw/zinc/60/58/06/552605806.db2.gz	BANKDWBWDPSONE-HBUWYVDXSA-N	1	0	351.447	1.037	20	30		FDEDRO
N#Cc1c2c(sc1NC(=O)CC[NH2+]C1(C(N)=O)CCOCC1)CCC2	ZINC000595729867	552607706	/nfs/dbraw/zinc/60/77/06/552607706.db2.gz	VJKVTDMMDAHCKH-UHFFFAOYSA-N	1	0	362.455	1.061	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CC[NH+](C[C@@H]4CNC(=O)C4)CC3)n[nH]2)cc1	ZINC000595733629	552608339	/nfs/dbraw/zinc/60/83/39/552608339.db2.gz	NRDVRJKJFSXGOZ-HNNXBMFYSA-N	1	0	350.426	1.206	20	30		FDEDRO
N#Cc1cccc(C2([NH2+]CCn3nc4ccccn4c3=O)CCOCC2)c1	ZINC000595773464	552613512	/nfs/dbraw/zinc/61/35/12/552613512.db2.gz	MRMMGKFTHJEMPO-UHFFFAOYSA-N	1	0	363.421	1.663	20	30		FDEDRO
C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000595788150	552615040	/nfs/dbraw/zinc/61/50/40/552615040.db2.gz	QHGIJPAPRBSEJV-KRWDZBQOSA-N	1	0	370.501	1.905	20	30		FDEDRO
COC(=O)c1cnc([C@@H]2CCC[N@H+](CCC(=O)N(C)CCC#N)C2)s1	ZINC000595919388	552633442	/nfs/dbraw/zinc/63/34/42/552633442.db2.gz	LTRBJEDZXOXXDP-CYBMUJFWSA-N	1	0	364.471	1.871	20	30		FDEDRO
C[C@@]1(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CCC[NH2+]1	ZINC000595969032	552639983	/nfs/dbraw/zinc/63/99/83/552639983.db2.gz	BFQYKFDGFKQWML-FQEVSTJZSA-N	1	0	364.453	1.739	20	30		FDEDRO
N#Cc1cccc(C2(NC(=O)c3cc([C@@H]4CC[NH2+]C4)n[nH]3)CCOCC2)c1	ZINC000595968480	552640058	/nfs/dbraw/zinc/64/00/58/552640058.db2.gz	RQYYXHNTGXAEAH-OAHLLOKOSA-N	1	0	365.437	1.794	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CCN(C(=O)[C@H]4[C@@H]5C[NH2+]C[C@@H]54)CC3)n[nH]2)cc1	ZINC000595969636	552640234	/nfs/dbraw/zinc/64/02/34/552640234.db2.gz	GLTAAWQWIVHYOI-MNZLEMJZSA-N	1	0	362.437	1.062	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CCN(C(=O)[C@H]4CCC[NH2+]4)CC3)n[nH]2)cc1	ZINC000595969920	552640304	/nfs/dbraw/zinc/64/03/04/552640304.db2.gz	ISEKLBRECZIAIP-MRXNPFEDSA-N	1	0	350.426	1.349	20	30		FDEDRO
COC(=O)c1cnc([C@@H]2CCCN(C(=O)[C@H]([NH3+])CCCC#N)C2)s1	ZINC000595996213	552642206	/nfs/dbraw/zinc/64/22/06/552642206.db2.gz	QARUVQYLLZWSSW-VXGBXAGGSA-N	1	0	350.444	1.657	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]CCN2C[C@@H]3CCCCN3C2=O)cc1	ZINC000596064312	552651525	/nfs/dbraw/zinc/65/15/25/552651525.db2.gz	FTUKFMZDSCRCNR-ROUUACIJSA-N	1	0	372.469	1.372	20	30		FDEDRO
CCc1nc(C#N)cc(NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)n1	ZINC000596073617	552652673	/nfs/dbraw/zinc/65/26/73/552652673.db2.gz	KBJHZSBXGUTEKA-MRXNPFEDSA-N	1	0	350.470	2.533	20	30		FDEDRO
CCc1nc(C#N)cc(N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)n1	ZINC000596166176	552661191	/nfs/dbraw/zinc/66/11/91/552661191.db2.gz	QJRMKJLKKSAYRD-AEFFLSMTSA-N	1	0	351.454	2.206	20	30		FDEDRO
C[C@@H]1CN(c2nc3ncccc3cc2C#N)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000596180739	552662692	/nfs/dbraw/zinc/66/26/92/552662692.db2.gz	SXECZFRUOKPTDE-QAPCUYQASA-N	1	0	350.470	1.964	20	30		FDEDRO
CCN(C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CC[N@H+](C)C1	ZINC000596551006	552688031	/nfs/dbraw/zinc/68/80/31/552688031.db2.gz	JUFIZVPNSBRMNH-MSOLQXFVSA-N	1	0	369.469	1.789	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)ccc1F	ZINC000596568870	552690018	/nfs/dbraw/zinc/69/00/18/552690018.db2.gz	CVGWYMFVOQLQMB-CQSZACIVSA-N	1	0	358.417	1.874	20	30		FDEDRO
C[NH+]1CCN(c2ccnc(-c3noc(CC4(C#N)CCOCC4)n3)c2)CC1	ZINC000596589945	552692274	/nfs/dbraw/zinc/69/22/74/552692274.db2.gz	HFZWRNOPNABDFI-UHFFFAOYSA-N	1	0	368.441	1.746	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)CC3(C#N)CCOCC3)cn2)CC1	ZINC000596819070	552714282	/nfs/dbraw/zinc/71/42/82/552714282.db2.gz	FEFRPCBDSLXKDS-UHFFFAOYSA-N	1	0	371.485	1.550	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1	ZINC000596828846	552715422	/nfs/dbraw/zinc/71/54/22/552715422.db2.gz	JGAYYRRLYVKIJV-CQSZACIVSA-N	1	0	373.505	1.845	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)CC2C[NH+](C)C2)cc1	ZINC000596877963	552720414	/nfs/dbraw/zinc/72/04/14/552720414.db2.gz	ZVOCFONWSSARFA-LBPRGKRZSA-N	1	0	350.444	1.398	20	30		FDEDRO
C[C@H](CC#N)C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000597023089	552735933	/nfs/dbraw/zinc/73/59/33/552735933.db2.gz	ZSKMFVMGXRYJRG-QZTJIDSGSA-N	1	0	355.486	1.992	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N=c2ccn(CC(=O)OC(C)(C)C)[nH]2)CC1	ZINC000597148921	552753992	/nfs/dbraw/zinc/75/39/92/552753992.db2.gz	WLSVVKBQSYZXTB-UHFFFAOYSA-N	1	0	363.462	1.997	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1	ZINC000597184670	552758625	/nfs/dbraw/zinc/75/86/25/552758625.db2.gz	YEQZTIRGPXNJRV-UHFFFAOYSA-N	1	0	353.532	1.935	20	30		FDEDRO
N#CCCn1cc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c(-c2ccncc2)n1	ZINC000597204329	552760299	/nfs/dbraw/zinc/76/02/99/552760299.db2.gz	AIQURGFAKGKLOR-FUHWJXTLSA-N	1	0	364.453	1.959	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1C	ZINC000597272918	552768301	/nfs/dbraw/zinc/76/83/01/552768301.db2.gz	NNAZASFDBTUDES-SJORKVTESA-N	1	0	352.442	1.859	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000597283852	552769765	/nfs/dbraw/zinc/76/97/65/552769765.db2.gz	IESZMFXKOLREGN-OAHLLOKOSA-N	1	0	369.531	1.029	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@@H]3CC34CC[NH2+]CC4)C2=O)cc1	ZINC000597442958	552790126	/nfs/dbraw/zinc/79/01/26/552790126.db2.gz	ZOPWTKSSPXPKNT-IAGOWNOFSA-N	1	0	367.453	1.100	20	30		FDEDRO
N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1	ZINC000597618084	552812648	/nfs/dbraw/zinc/81/26/48/552812648.db2.gz	BXMFGSMYBTVDSY-VQTJNVASSA-N	1	0	366.465	1.954	20	30		FDEDRO
C[C@H](CC#N)C(=O)N(C)CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O	ZINC000597658853	552818749	/nfs/dbraw/zinc/81/87/49/552818749.db2.gz	ZHCJBUAIVQNJBI-CQSZACIVSA-N	1	0	356.426	1.223	20	30		FDEDRO
CC(C)C[C@H](NC(=O)c1ccc(C#N)nc1)C(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000597693336	552822902	/nfs/dbraw/zinc/82/29/02/552822902.db2.gz	WJSOATKTQOIUIV-SJORKVTESA-N	1	0	357.458	1.260	20	30		FDEDRO
CC(C)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCCc1ccc(C#N)cc1	ZINC000597890053	552844575	/nfs/dbraw/zinc/84/45/75/552844575.db2.gz	OGTDHKIRNXHMHM-SFHVURJKSA-N	1	0	367.453	1.714	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000598157494	552869957	/nfs/dbraw/zinc/86/99/57/552869957.db2.gz	UIWAVOPSLYBIKP-UHFFFAOYSA-N	1	0	366.469	1.939	20	30		FDEDRO
N#Cc1ncn(CC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)n1	ZINC000598397920	552892628	/nfs/dbraw/zinc/89/26/28/552892628.db2.gz	WIWHCAKJGJMAEE-KRWDZBQOSA-N	1	0	364.453	1.568	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[NH+]1CCN(Cc2nc(N)c3ccccc3n2)CC1	ZINC000598593575	552912637	/nfs/dbraw/zinc/91/26/37/552912637.db2.gz	CHEMSWIAPCXEPD-HNNXBMFYSA-N	1	0	368.485	1.630	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000598599293	552913387	/nfs/dbraw/zinc/91/33/87/552913387.db2.gz	BFKKGDXWJRHRJT-ZFWWWQNUSA-N	1	0	353.488	1.888	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1Br	ZINC000598723402	552928319	/nfs/dbraw/zinc/92/83/19/552928319.db2.gz	GXCRPTBJGSTVPL-SMDDNHRTSA-N	1	0	370.272	1.823	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@@H+]1CCc2nccc(Br)c2C1	ZINC000598945205	552949947	/nfs/dbraw/zinc/94/99/47/552949947.db2.gz	HDIDCVSCUKFGNH-UHFFFAOYSA-N	1	0	351.248	1.964	20	30		FDEDRO
CN1C2(CCC2)COC[C@]1(CO)C[NH2+]Cc1ccc(C2(C#N)CC2)cc1	ZINC000598991430	552955102	/nfs/dbraw/zinc/95/51/02/552955102.db2.gz	YTUSFASXXIHGKM-OAQYLSRUSA-N	1	0	355.482	1.947	20	30		FDEDRO
C[C@H](CNC(=O)N1CCc2c(CC#N)cccc2C1)C[NH+]1CCN(C)CC1	ZINC000599004657	552957139	/nfs/dbraw/zinc/95/71/39/552957139.db2.gz	WEEIMOVJNIVSLE-QGZVFWFLSA-N	1	0	369.513	1.704	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCCOCCC[NH3+])cc1C(F)(F)F	ZINC000599110070	552969120	/nfs/dbraw/zinc/96/91/20/552969120.db2.gz	FFALTTLGISRTNU-UHFFFAOYSA-N	1	0	351.350	1.221	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1CCCC[N@H+](C)C1	ZINC000599156686	552976010	/nfs/dbraw/zinc/97/60/10/552976010.db2.gz	IIQHXIUKPIETNC-HZPDHXFCSA-N	1	0	371.489	1.300	20	30		FDEDRO
CCOC(=O)[C@@H]1CCC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000599253397	553003827	/nfs/dbraw/zinc/00/38/27/553003827.db2.gz	KIBVVYDOUGICPI-OAHLLOKOSA-N	1	0	354.406	1.561	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH+]2CCC(c3nnc4ccccn43)CC2)CCOCC1	ZINC000599293570	553017722	/nfs/dbraw/zinc/01/77/22/553017722.db2.gz	ZUBGMAYSUMFGQB-KRWDZBQOSA-N	1	0	369.469	1.980	20	30		FDEDRO
C[C@H](CS(C)(=O)=O)N(C[C@@H](O)COc1ccccc1C#N)C1CC1	ZINC000599292870	553017875	/nfs/dbraw/zinc/01/78/75/553017875.db2.gz	JCZNTQMQAGLDRD-CZUORRHYSA-N	1	0	352.456	1.195	20	30		FDEDRO
C[N@H+](C[C@@H](O)COc1ccccc1C#N)CC(C)(C)CN1CCOCC1	ZINC000599336514	553031064	/nfs/dbraw/zinc/03/10/64/553031064.db2.gz	OKCVGBNIVBNBAK-GOSISDBHSA-N	1	0	361.486	1.588	20	30		FDEDRO
C[N@H+](C[C@@H](O)COc1ccccc1C#N)[C@H](CC(N)=O)c1ccccc1	ZINC000599390599	553043558	/nfs/dbraw/zinc/04/35/58/553043558.db2.gz	NHHHTKDYCWPORD-QZTJIDSGSA-N	1	0	353.422	1.846	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)CCOCC1	ZINC000599401206	553046688	/nfs/dbraw/zinc/04/66/88/553046688.db2.gz	OFJOFDPEDSMSNI-MSOLQXFVSA-N	1	0	351.491	1.102	20	30		FDEDRO
COC(=O)[C@@H]1CSCC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1	ZINC000599437880	553056389	/nfs/dbraw/zinc/05/63/89/553056389.db2.gz	UILFKUQCLFVZIR-LSDHHAIUSA-N	1	0	350.440	1.136	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1	ZINC000599606660	553101893	/nfs/dbraw/zinc/10/18/93/553101893.db2.gz	QETWCMQURPUFBM-BZPMIXESSA-N	1	0	350.444	1.634	20	30		FDEDRO
CC(C)CNC(=O)NC(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1	ZINC000599632627	553108438	/nfs/dbraw/zinc/10/84/38/553108438.db2.gz	HBEBROOVFZKACQ-UHFFFAOYSA-N	1	0	358.442	1.635	20	30		FDEDRO
COC(=O)[C@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)Cc2ccccc21	ZINC000599676769	553119707	/nfs/dbraw/zinc/11/97/07/553119707.db2.gz	GTRVDMRRTUOHBB-WMZOPIPTSA-N	1	0	358.438	1.830	20	30		FDEDRO
COc1cc(NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c(F)cc1C#N	ZINC000599811895	553153732	/nfs/dbraw/zinc/15/37/32/553153732.db2.gz	WOMIBCOZPJQOKN-UHFFFAOYSA-N	1	0	365.409	1.190	20	30		FDEDRO
CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000599899919	553170968	/nfs/dbraw/zinc/17/09/68/553170968.db2.gz	MVVAVMIIZMBLJR-NWDGAFQWSA-N	1	0	370.331	1.652	20	30		FDEDRO
C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C[C@H]21	ZINC000599992168	553195469	/nfs/dbraw/zinc/19/54/69/553195469.db2.gz	QWROYXBFPXRRQB-TXPWEPMLSA-N	1	0	372.856	1.583	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c1	ZINC000600046672	553208016	/nfs/dbraw/zinc/20/80/16/553208016.db2.gz	AFJLZXUWAGDAIM-UHFFFAOYSA-N	1	0	370.453	1.519	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)CCOCC1	ZINC000600715513	553306404	/nfs/dbraw/zinc/30/64/04/553306404.db2.gz	SRFLCOGUNBIUCY-PMACEKPBSA-N	1	0	373.497	1.548	20	30		FDEDRO
COc1cc(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)ccc1OCCO	ZINC000600716892	553306421	/nfs/dbraw/zinc/30/64/21/553306421.db2.gz	NCHUYMIAGDWDPS-INIZCTEOSA-N	1	0	364.442	1.227	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)CCOCC1	ZINC000600726580	553308121	/nfs/dbraw/zinc/30/81/21/553308121.db2.gz	MUQRILJQAGACIG-CVEARBPZSA-N	1	0	372.469	1.025	20	30		FDEDRO
CN(C)C(=O)Nc1ccc(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)cc1	ZINC000600735189	553308832	/nfs/dbraw/zinc/30/88/32/553308832.db2.gz	KNHSDWYEOLJZSX-KRWDZBQOSA-N	1	0	360.458	1.941	20	30		FDEDRO
CNC(=O)CC1(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)CCCCC1	ZINC000600747491	553310516	/nfs/dbraw/zinc/31/05/16/553310516.db2.gz	XTCMCVQQPYBKLF-MRXNPFEDSA-N	1	0	351.491	1.734	20	30		FDEDRO
N#Cc1ccc(N2CCC(C(=O)NCC[N@H+]3CC[C@H](O)C3)CC2)c(F)c1	ZINC000600808771	553317285	/nfs/dbraw/zinc/31/72/85/553317285.db2.gz	QENKFHQFIUZBFZ-INIZCTEOSA-N	1	0	360.433	1.097	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1ccc(CNC(=O)C2(C#N)CC3(CC3)C2)cc1	ZINC000601040414	553343059	/nfs/dbraw/zinc/34/30/59/553343059.db2.gz	MQTYTMFUIWKXTR-UHFFFAOYSA-N	1	0	354.454	1.678	20	30		FDEDRO
C[NH+](C)CCCS(=O)(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1	ZINC000601292429	553369880	/nfs/dbraw/zinc/36/98/80/553369880.db2.gz	NBOCPZHPHFKFDO-KRWDZBQOSA-N	1	0	350.488	1.150	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2ccccc2CC#N)CC1	ZINC000601398376	553394127	/nfs/dbraw/zinc/39/41/27/553394127.db2.gz	DPCNEAAKGYSVCF-OAHLLOKOSA-N	1	0	350.488	1.057	20	30		FDEDRO
C[NH+]1CCN(CCCS(=O)(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC1	ZINC000601406226	553396733	/nfs/dbraw/zinc/39/67/33/553396733.db2.gz	ZHQBMVZSUIZYMM-GOSISDBHSA-N	1	0	362.499	1.102	20	30		FDEDRO
C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2ccccc2CC#N)CCO1	ZINC000601469287	553414313	/nfs/dbraw/zinc/41/43/13/553414313.db2.gz	OFARXRMCJQKLPH-MRXNPFEDSA-N	1	0	351.472	1.484	20	30		FDEDRO
N#Cc1cccc(CS(=O)(=O)N2CCCN(c3cc[nH+]cc3)CC2)c1	ZINC000601517152	553425895	/nfs/dbraw/zinc/42/58/95/553425895.db2.gz	CYJVXDWJSRMLIS-UHFFFAOYSA-N	1	0	356.451	1.995	20	30		FDEDRO
Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NC3CCN(CC#N)CC3)C2)cc1	ZINC000601571479	553437434	/nfs/dbraw/zinc/43/74/34/553437434.db2.gz	MJJPTISORJRFRY-LJQANCHMSA-N	1	0	355.486	1.857	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1	ZINC000601574895	553438516	/nfs/dbraw/zinc/43/85/16/553438516.db2.gz	CRFPDNDEOJFIOA-AWEZNQCLSA-N	1	0	359.474	1.948	20	30		FDEDRO
N#Cc1cc(F)cc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1	ZINC000602026372	553503478	/nfs/dbraw/zinc/50/34/78/553503478.db2.gz	HLZWCWRPRQSDIN-CQSZACIVSA-N	1	0	358.417	1.970	20	30		FDEDRO
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1	ZINC000602043638	553506709	/nfs/dbraw/zinc/50/67/09/553506709.db2.gz	SCAPYMUPWZAXCI-IBGZPJMESA-N	1	0	370.497	1.754	20	30		FDEDRO
N#Cc1cc(F)cc(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1	ZINC000602049194	553508138	/nfs/dbraw/zinc/50/81/38/553508138.db2.gz	LDQWXFAULIIBHX-INIZCTEOSA-N	1	0	360.389	1.005	20	30		FDEDRO
COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(C)[C@H]1CCC[C@H]1C#N	ZINC000602073431	553513695	/nfs/dbraw/zinc/51/36/95/553513695.db2.gz	GDWJYKVVVJXZPA-HOCLYGCPSA-N	1	0	358.442	1.846	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)CC1	ZINC000602089183	553517142	/nfs/dbraw/zinc/51/71/42/553517142.db2.gz	SBYARZJYNHXJJN-OAHLLOKOSA-N	1	0	358.467	1.740	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3C[C@@H]([NH+](C)C)C3(C)C)CC2)o1	ZINC000602174290	553533811	/nfs/dbraw/zinc/53/38/11/553533811.db2.gz	SVVQXPIANCDZMR-HZPDHXFCSA-N	1	0	359.474	1.916	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C	ZINC000602175521	553533849	/nfs/dbraw/zinc/53/38/49/553533849.db2.gz	YLOSRWUQZIVLLH-IRXDYDNUSA-N	1	0	368.485	1.995	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCCCCC#N	ZINC000602246845	553547876	/nfs/dbraw/zinc/54/78/76/553547876.db2.gz	SVBGDKGFUIFKIL-WMZOPIPTSA-N	1	0	356.470	1.681	20	30		FDEDRO
N#CC1CCC([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1	ZINC000602541252	553602258	/nfs/dbraw/zinc/60/22/58/553602258.db2.gz	PBCFULIBWNFPAF-UHFFFAOYSA-N	1	0	369.512	1.941	20	30		FDEDRO
N#CCc1cccc2c1CCN(C(=O)c1cn([C@H]3CCC[NH2+]C3)nn1)C2	ZINC000602574005	553606938	/nfs/dbraw/zinc/60/69/38/553606938.db2.gz	PREFRZNXFKSEAL-INIZCTEOSA-N	1	0	350.426	1.467	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1	ZINC000602574747	553607011	/nfs/dbraw/zinc/60/70/11/553607011.db2.gz	MQJATYWJJOFCHL-MAUKXSAKSA-N	1	0	357.454	1.943	20	30		FDEDRO
N#CCc1cccc2c1CCN(C(=O)c1cn([C@H]3CCC[NH2+]CC3)nn1)C2	ZINC000602574072	553607162	/nfs/dbraw/zinc/60/71/62/553607162.db2.gz	QOLSIZLJYIMVIV-KRWDZBQOSA-N	1	0	364.453	1.857	20	30		FDEDRO
C[C@H](CCC#N)C[NH2+]C1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1	ZINC000602622227	553613120	/nfs/dbraw/zinc/61/31/20/553613120.db2.gz	FXJSAZVTTPVSKM-CYBMUJFWSA-N	1	0	365.455	1.360	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+][C@@H]3CCCC[C@H]3NS(=O)(=O)C3CC3)n2c1	ZINC000602740188	553629566	/nfs/dbraw/zinc/62/95/66/553629566.db2.gz	AFDMIGUPCKBMEA-IAGOWNOFSA-N	1	0	373.482	1.689	20	30		FDEDRO
C[NH+](C)C[C@]1(O)CCCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000602876176	553657214	/nfs/dbraw/zinc/65/72/14/553657214.db2.gz	FQGNSNCGVCAUQX-UYAOXDASSA-N	1	0	356.470	1.442	20	30		FDEDRO
Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCN(C)C[C@@H]2CO)c1C#N	ZINC000602904737	553665481	/nfs/dbraw/zinc/66/54/81/553665481.db2.gz	LBDGUIGXPBMONA-QGZVFWFLSA-N	1	0	373.501	1.639	20	30		FDEDRO
COC[C@@](C)(CO)[NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N	ZINC000602931707	553672082	/nfs/dbraw/zinc/67/20/82/553672082.db2.gz	JPHLTTBACHAMJP-SUMWQHHRSA-N	1	0	351.472	1.864	20	30		FDEDRO
Cc1nnc(N2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)n1C	ZINC000602943040	553676139	/nfs/dbraw/zinc/67/61/39/553676139.db2.gz	PFHDYDGAPRCSSX-UHFFFAOYSA-N	1	0	353.430	1.146	20	30		FDEDRO
Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2CCCOc2cccc(C#N)c2)cn1	ZINC000602944653	553676425	/nfs/dbraw/zinc/67/64/25/553676425.db2.gz	WKFDDCMRKHDTMM-GOSISDBHSA-N	1	0	367.453	1.955	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)CN2CCN(Cc3ccc(O)cc3)CC2)cc1	ZINC000603007116	553692498	/nfs/dbraw/zinc/69/24/98/553692498.db2.gz	YOBGZUZANQFGBE-HXUWFJFHSA-N	1	0	367.449	1.821	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F	ZINC000603142771	553714903	/nfs/dbraw/zinc/71/49/03/553714903.db2.gz	FHESUBLRQOFXSK-IACUBPJLSA-N	1	0	373.375	1.511	20	30		FDEDRO
N#CCSc1ccccc1NC(=O)Cn1cc(C[C@@H]2CC[NH2+]C2)nn1	ZINC000603174761	553722501	/nfs/dbraw/zinc/72/25/01/553722501.db2.gz	CPSRFQNJNZJMCD-ZDUSSCGKSA-N	1	0	356.455	1.684	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](n3cc(C[C@H]4CCC[NH2+]C4)nn3)C2=O)cc1	ZINC000603190203	553727309	/nfs/dbraw/zinc/72/73/09/553727309.db2.gz	DRAPTGCDIBCAJT-CRAIPNDOSA-N	1	0	350.426	1.670	20	30		FDEDRO
CN(CC[C@H]1CCCC[N@@H+]1C)c1ccc(C#N)cc1CS(N)(=O)=O	ZINC000603301792	553759362	/nfs/dbraw/zinc/75/93/62/553759362.db2.gz	XRXTZVIKJACSQC-MRXNPFEDSA-N	1	0	350.488	1.657	20	30		FDEDRO
N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCN(CCN3CCOCC3)C1)CC2	ZINC000603429605	553786519	/nfs/dbraw/zinc/78/65/19/553786519.db2.gz	ZMEDIOBBBZMMGN-FPOVZHCZSA-N	1	0	354.498	1.932	20	30		FDEDRO
CCCC(=O)NC1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000603682464	553810089	/nfs/dbraw/zinc/81/00/89/553810089.db2.gz	SCNYDFPURDEKHG-GOSISDBHSA-N	1	0	359.470	1.873	20	30		FDEDRO
Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@H](O)COc1ccc(C#N)cc1	ZINC000604436268	553877713	/nfs/dbraw/zinc/87/77/13/553877713.db2.gz	JGJCAIKJVQJOMG-OALUTQOASA-N	1	0	370.449	1.944	20	30		FDEDRO
COC(=O)C1CC[NH+](CCCNC(=O)CNc2ccc(C#N)cc2)CC1	ZINC000604446544	553878122	/nfs/dbraw/zinc/87/81/22/553878122.db2.gz	ZVCMZICZICXOOT-UHFFFAOYSA-N	1	0	358.442	1.361	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCC[NH+]2CCCC2)cc1	ZINC000606093953	554043271	/nfs/dbraw/zinc/04/32/71/554043271.db2.gz	YWJKQJJHRRBILO-UHFFFAOYSA-N	1	0	359.430	1.145	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000609163489	554345192	/nfs/dbraw/zinc/34/51/92/554345192.db2.gz	HNVCVCOEUPYZPQ-MRXNPFEDSA-N	1	0	357.458	1.947	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)CC1	ZINC000609421082	554375686	/nfs/dbraw/zinc/37/56/86/554375686.db2.gz	LNANZJJRGYSRHV-KRWDZBQOSA-N	1	0	354.454	1.643	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@H](c4ccco4)C3)CC2)o1	ZINC000609540384	554390187	/nfs/dbraw/zinc/39/01/87/554390187.db2.gz	UNWPUFPNBMEZRC-HNNXBMFYSA-N	1	0	369.425	1.586	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)cc1	ZINC000609552781	554392538	/nfs/dbraw/zinc/39/25/38/554392538.db2.gz	CNMSYLUCNJYUMW-ZWKOTPCHSA-N	1	0	357.454	1.632	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1	ZINC000609572745	554395579	/nfs/dbraw/zinc/39/55/79/554395579.db2.gz	ZQZDDZRAJGYAKQ-YZGWKJHDSA-N	1	0	359.470	1.023	20	30		FDEDRO
C[C@H](CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)N1CC[NH+](C)CC1	ZINC000609624067	554404166	/nfs/dbraw/zinc/40/41/66/554404166.db2.gz	SPXPMEZDTYYDNY-VQIMIIECSA-N	1	0	355.486	1.279	20	30		FDEDRO
N#C[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CCN1Cc1ccccc1	ZINC000609642198	554407225	/nfs/dbraw/zinc/40/72/25/554407225.db2.gz	DDOHAVQSZAVPNM-HKUYNNGSSA-N	1	0	353.470	1.643	20	30		FDEDRO
N#Cc1ccc([C@H]([NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)C(N)=O)cc1	ZINC000609676718	554410600	/nfs/dbraw/zinc/41/06/00/554410600.db2.gz	MOASYUBIPILTCU-QAPCUYQASA-N	1	0	363.421	1.052	20	30		FDEDRO
Cc1c(C(=O)Nc2ccncc2C#N)nnn1-c1cccc2c1CC[N@@H+](C)C2	ZINC000609785394	554421846	/nfs/dbraw/zinc/42/18/46/554421846.db2.gz	BSJAUOOUILLLOC-UHFFFAOYSA-N	1	0	373.420	1.505	20	30		FDEDRO
N#CCn1c(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc2ccccc21	ZINC000610242444	554477098	/nfs/dbraw/zinc/47/70/98/554477098.db2.gz	OMUUILZYLWYKLR-MRXNPFEDSA-N	1	0	352.438	1.959	20	30		FDEDRO
CN(C)C(=O)CN1CCN(c2c(C#N)cnc3ccc(Cl)cc32)CC1	ZINC000610245491	554477633	/nfs/dbraw/zinc/47/76/33/554477633.db2.gz	IHAUYMPPSJLQMD-UHFFFAOYSA-N	1	0	357.845	1.970	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)CN2CC[NH+](C3CCOCC3)CC2)cc1	ZINC000610477103	554515605	/nfs/dbraw/zinc/51/56/05/554515605.db2.gz	SHDUHNNQYFQFEC-LJQANCHMSA-N	1	0	359.470	1.289	20	30		FDEDRO
COCCN(CCC#N)C(=O)CCC[NH+]1CCN(c2ccccc2)CC1	ZINC000610492062	554518518	/nfs/dbraw/zinc/51/85/18/554518518.db2.gz	OWJICFNWTAOHNH-UHFFFAOYSA-N	1	0	358.486	1.977	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)CN2CC[NH+](C[C@@H]3CCOC3)CC2)cc1	ZINC000610538534	554525449	/nfs/dbraw/zinc/52/54/49/554525449.db2.gz	UEOSVGVTEOSREC-RBUKOAKNSA-N	1	0	359.470	1.146	20	30		FDEDRO
N#CCN1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1	ZINC000610860224	554571982	/nfs/dbraw/zinc/57/19/82/554571982.db2.gz	BEIZZTONQFPKOM-MSOLQXFVSA-N	1	0	363.506	1.041	20	30		FDEDRO
N#Cc1nnc2ccccc2c1N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000611100913	554605003	/nfs/dbraw/zinc/60/50/03/554605003.db2.gz	SYKRDPVFSYQVNM-KRWDZBQOSA-N	1	0	350.426	1.420	20	30		FDEDRO
COc1ccc(COC[C@@H](O)C[NH+]2CCN(CCC#N)CC2)cc1OC	ZINC000611176257	554612449	/nfs/dbraw/zinc/61/24/49/554612449.db2.gz	XMXRVDQPXREPDE-KRWDZBQOSA-N	1	0	363.458	1.113	20	30		FDEDRO
COc1ccc(COC[C@H](O)C[NH+]2CCN(CCC#N)CC2)cc1OC	ZINC000611176258	554612604	/nfs/dbraw/zinc/61/26/04/554612604.db2.gz	XMXRVDQPXREPDE-QGZVFWFLSA-N	1	0	363.458	1.113	20	30		FDEDRO
CS(=O)(=O)N1CCN(CC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1	ZINC000611392082	554630480	/nfs/dbraw/zinc/63/04/80/554630480.db2.gz	KJHFEDKNQNKTHV-GOSISDBHSA-N	1	0	362.499	1.102	20	30		FDEDRO
C[C@H]1COCCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000611430896	554632947	/nfs/dbraw/zinc/63/29/47/554632947.db2.gz	FRQBKEVACAYBPM-HOTGVXAUSA-N	1	0	362.499	1.568	20	30		FDEDRO
N#Cc1ccc(NCC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1	ZINC000611678489	554663986	/nfs/dbraw/zinc/66/39/86/554663986.db2.gz	MCKSZLDLIWAFLR-HXUWFJFHSA-N	1	0	364.449	1.853	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)N3CCC[C@@](C)(C#N)C3)ccn2)CC1	ZINC000612107919	554735007	/nfs/dbraw/zinc/73/50/07/554735007.db2.gz	CBBPIRAVAMLTQB-IBGZPJMESA-N	1	0	356.474	1.669	20	30		FDEDRO
N#Cc1ncn(CC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1	ZINC000612358331	554766769	/nfs/dbraw/zinc/76/67/69/554766769.db2.gz	RNNZDUMXWVOLDL-RCCFBDPRSA-N	1	0	364.453	1.567	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1	ZINC000612907528	554857055	/nfs/dbraw/zinc/85/70/55/554857055.db2.gz	FMEYMXHGKKRVDW-INMHGKMJSA-N	1	0	374.489	1.052	20	30		FDEDRO
CC(C)(C)c1ccc(C#N)c(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1	ZINC000613420131	554923701	/nfs/dbraw/zinc/92/37/01/554923701.db2.gz	AMZYKGFRECLGFW-UHFFFAOYSA-N	1	0	355.486	1.995	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CNC(=O)c1ccncc1	ZINC000613620768	554945815	/nfs/dbraw/zinc/94/58/15/554945815.db2.gz	JWQCCZKKKBRUQP-UHFFFAOYSA-N	1	0	365.437	1.273	20	30		FDEDRO
CN(C(=O)NCc1cccc(C#N)c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000613856929	554980665	/nfs/dbraw/zinc/98/06/65/554980665.db2.gz	DQAVQIKDOZNNCK-LJQANCHMSA-N	1	0	355.486	1.868	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)n(CCC#N)n1	ZINC000616873107	555353620	/nfs/dbraw/zinc/35/36/20/555353620.db2.gz	BPBLFNVXGGYZGF-UHFFFAOYSA-N	1	0	360.462	1.282	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1	ZINC000625567930	556856583	/nfs/dbraw/zinc/85/65/83/556856583.db2.gz	NPNMEWQKIVHJMG-UHFFFAOYSA-N	1	0	353.507	1.664	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1	ZINC000625746878	556917076	/nfs/dbraw/zinc/91/70/76/556917076.db2.gz	JZBCQBRTLSBVQG-UHFFFAOYSA-N	1	0	365.518	1.905	20	30		FDEDRO
Cc1cccc(N2CC[NH+](CCC(=O)N3CCSC[C@@H]3C#N)CC2)c1	ZINC000271761533	674379045	/nfs/dbraw/zinc/37/90/45/674379045.db2.gz	PBIRTAPOYRAPDM-SFHVURJKSA-N	1	0	358.511	1.975	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2	ZINC000626822731	557179921	/nfs/dbraw/zinc/17/99/21/557179921.db2.gz	VRTYDUHTOKKRFS-YOEHRIQHSA-N	1	0	359.426	1.205	20	30		FDEDRO
[NH3+]CC1(NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCOCC1	ZINC000626928933	557231844	/nfs/dbraw/zinc/23/18/44/557231844.db2.gz	LLNCNGKXRONKFJ-UHFFFAOYSA-N	1	0	355.360	1.864	20	30		FDEDRO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1	ZINC000627316678	557349080	/nfs/dbraw/zinc/34/90/80/557349080.db2.gz	RFZAWHOGPUAKFL-DZFGPLHGSA-N	1	0	355.482	1.748	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1	ZINC000627434839	557400747	/nfs/dbraw/zinc/40/07/47/557400747.db2.gz	VMLRYVMQRGDUIA-HOTGVXAUSA-N	1	0	351.491	1.450	20	30		FDEDRO
C=CC[C@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1	ZINC000627735502	557483399	/nfs/dbraw/zinc/48/33/99/557483399.db2.gz	UXFKHCUIAJFLGL-KRWDZBQOSA-N	1	0	370.497	1.797	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000632670804	558202761	/nfs/dbraw/zinc/20/27/61/558202761.db2.gz	APHRSBVXLISTCJ-INIZCTEOSA-N	1	0	353.507	1.664	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCc3nc(COC)ncc3C2)CC1	ZINC000632987159	558237492	/nfs/dbraw/zinc/23/74/92/558237492.db2.gz	ZRNOJPXZESWCQC-UHFFFAOYSA-N	1	0	359.474	1.731	20	30		FDEDRO
C[C@@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)N(C)CCC#N	ZINC000271825471	674385978	/nfs/dbraw/zinc/38/59/78/674385978.db2.gz	OLQYOWURYXZCED-ZIAGYGMSSA-N	1	0	366.487	1.348	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1	ZINC000636700526	567851462	/nfs/dbraw/zinc/85/14/62/567851462.db2.gz	VRKKWOSGOFTHGK-UHFFFAOYSA-N	1	0	353.507	1.711	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)c1C#N	ZINC000291024016	567963398	/nfs/dbraw/zinc/96/33/98/567963398.db2.gz	DSJOMOQZRZASCV-UHFFFAOYSA-N	1	0	359.499	1.846	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000481478936	567980944	/nfs/dbraw/zinc/98/09/44/567980944.db2.gz	JLXRZTLTLLEDCQ-UHFFFAOYSA-N	1	0	358.423	1.473	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCC[C@@H](O)COCc2ccccc2)CC1	ZINC000636739964	567998423	/nfs/dbraw/zinc/99/84/23/567998423.db2.gz	MYUTUURMYZLBPA-LJQANCHMSA-N	1	0	361.486	1.904	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1	ZINC000636834085	568124314	/nfs/dbraw/zinc/12/43/14/568124314.db2.gz	SYVSFOONVLZCLK-DLBZAZTESA-N	1	0	365.518	1.589	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1	ZINC000291740619	568285863	/nfs/dbraw/zinc/28/58/63/568285863.db2.gz	SFUBJDAQKSYKLD-KRWDZBQOSA-N	1	0	357.458	1.989	20	30		FDEDRO
CO/N=C/c1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)cc1	ZINC000365205780	568316660	/nfs/dbraw/zinc/31/66/60/568316660.db2.gz	DJPUSECNLUUIGG-SXZORUHJSA-N	1	0	358.486	1.767	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)cn1)C(C)C	ZINC000735418926	598473651	/nfs/dbraw/zinc/47/36/51/598473651.db2.gz	LTSLEEUETUTIME-MRXNPFEDSA-N	1	0	355.446	1.690	20	30		FDEDRO
CN(C)c1ccc(C(N)=[NH+]OCc2ccc(F)cc2-c2nn[nH]n2)cc1	ZINC000736772921	598676025	/nfs/dbraw/zinc/67/60/25/598676025.db2.gz	HVUAVTJCZNHGGC-UHFFFAOYSA-N	1	0	355.377	1.909	20	30		FDEDRO
C[C@H](c1ccc(C#N)cc1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1	ZINC000824763757	608033903	/nfs/dbraw/zinc/03/39/03/608033903.db2.gz	OYRHQWSSBYHCHT-LLVKDONJSA-N	1	0	351.418	1.669	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1	ZINC000824529542	608460628	/nfs/dbraw/zinc/46/06/28/608460628.db2.gz	GXMOZUIUYHDSMD-VBHSOAQHSA-N	1	0	355.446	1.960	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+](C)[C@H](C)C[S@](C)=O)c(OC)c1	ZINC000274437884	674592056	/nfs/dbraw/zinc/59/20/56/674592056.db2.gz	IISLXVBXXHUWMV-WDNXAPGXSA-N	1	0	355.500	1.862	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC#N)N1CCC(Oc2cncc(Cl)n2)CC1	ZINC000275026869	674601446	/nfs/dbraw/zinc/60/14/46/674601446.db2.gz	AGCYJTYYUXKRRX-LBPRGKRZSA-N	1	0	351.838	1.734	20	30		FDEDRO
C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1	ZINC000278757499	675191107	/nfs/dbraw/zinc/19/11/07/675191107.db2.gz	KLUKNMMDHIVQOF-NSHDSACASA-N	1	0	372.288	1.893	20	30		FDEDRO
C[NH+]=C(NCCC1=CCCCC1)NCC1CCN(S(C)(=O)=O)CC1	ZINC000073448172	671401510	/nfs/dbraw/zinc/40/15/10/671401510.db2.gz	FECUJHHDNUESTB-UHFFFAOYSA-N	1	0	356.536	1.714	20	30		FDEDRO
C[NH+]=C(NCC[S@](=O)C(C)(C)C)N1CCN(c2ccccn2)CC1	ZINC000088694459	671490670	/nfs/dbraw/zinc/49/06/70/671490670.db2.gz	IDSZVHRHVRHXSP-XMMPIXPASA-N	1	0	351.520	1.326	20	30		FDEDRO
C#CCCCC[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1	ZINC000090397941	671501091	/nfs/dbraw/zinc/50/10/91/671501091.db2.gz	XHLBBLNCJHHUSP-AWEZNQCLSA-N	1	0	372.512	1.866	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)NC2(C#N)CCCCC2)C1	ZINC000106868342	671608600	/nfs/dbraw/zinc/60/86/00/671608600.db2.gz	CSXVVTVUZGNOAY-CQSZACIVSA-N	1	0	350.463	1.928	20	30		FDEDRO
Cc1ccc(/N=C2\NC(=O)C(CC(=O)NCC[NH+](C)C)S2)cc1F	ZINC000106898538	671608962	/nfs/dbraw/zinc/60/89/62/671608962.db2.gz	HMUWYYJTANQTMN-ZDUSSCGKSA-N	1	0	352.435	1.421	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)Cn1cc(Br)ccc1=O	ZINC000121370450	671703506	/nfs/dbraw/zinc/70/35/06/671703506.db2.gz	RICDMLMYCLWWTG-ZDUSSCGKSA-N	1	0	369.259	1.888	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@H](OC)c1ccccc1Cl	ZINC000123618853	671728079	/nfs/dbraw/zinc/72/80/79/671728079.db2.gz	UCDUAMSAVNNNNY-INIZCTEOSA-N	1	0	354.882	1.525	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)=[NH+]C1CCCCC1	ZINC000132990458	671817933	/nfs/dbraw/zinc/81/79/33/671817933.db2.gz	UUEMDSDZCAGMPX-UAGQMJEPSA-N	1	0	350.507	1.756	20	30		FDEDRO
Cc1nc(CC(N)=NOCC(=O)NC2CC[NH+](C3CC3)CC2)cs1	ZINC000151277899	671861982	/nfs/dbraw/zinc/86/19/82/671861982.db2.gz	HUGWBBPOQXOKGB-UHFFFAOYSA-N	1	0	351.476	1.026	20	30		FDEDRO
Cc1cc(S(=O)(=O)NCCNC(=[NH2+])NC2CCCCC2)c(C)s1	ZINC000151408655	671864538	/nfs/dbraw/zinc/86/45/38/671864538.db2.gz	OMDYTRZPKSICOE-UHFFFAOYSA-N	1	0	358.533	1.880	20	30		FDEDRO
CC(=O)N1CSC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000161500604	672009882	/nfs/dbraw/zinc/00/98/82/672009882.db2.gz	APZPXCBXHKRSPS-QGZVFWFLSA-N	1	0	360.483	1.370	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CON=C(N)C2CCCCC2)C1	ZINC000178148692	672136587	/nfs/dbraw/zinc/13/65/87/672136587.db2.gz	SPQOQYXUIYXUKZ-INIZCTEOSA-N	1	0	354.495	1.329	20	30		FDEDRO
CC[NH+]=C(NCC1(O)CCCCC1)N1CCN(C[C@H]2CCOC2)CC1	ZINC000179091465	672154772	/nfs/dbraw/zinc/15/47/72/672154772.db2.gz	QHYRJMKFPBEHND-QGZVFWFLSA-N	1	0	352.523	1.301	20	30		FDEDRO
C[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccc(OCC#N)cc1	ZINC000181730736	672201563	/nfs/dbraw/zinc/20/15/63/672201563.db2.gz	YNJQMFPIAIURBA-HNNXBMFYSA-N	1	0	365.499	1.749	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1	ZINC000237986771	672431832	/nfs/dbraw/zinc/43/18/32/672431832.db2.gz	QJAOUGWOLKYHDD-ZBFHGGJFSA-N	1	0	351.472	1.398	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[N@H+](C[C@H]1CCCO1)[C@H]1CCSC1	ZINC000245824857	672465084	/nfs/dbraw/zinc/46/50/84/672465084.db2.gz	FKZFDUJTWKWMDW-JKSUJKDBSA-N	1	0	350.488	1.629	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@H]1CCSC1	ZINC000246012331	672480672	/nfs/dbraw/zinc/48/06/72/672480672.db2.gz	YSUVUFJDQUBHTF-GJZGRUSLSA-N	1	0	364.540	1.894	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1	ZINC000249145078	672546765	/nfs/dbraw/zinc/54/67/65/672546765.db2.gz	WTCIUFCMSCXBHJ-KBPBESRZSA-N	1	0	351.472	1.966	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C[C@@H]2CCC[NH2+]2)c1	ZINC000255379259	672617135	/nfs/dbraw/zinc/61/71/35/672617135.db2.gz	SYNHTSKLOIRYRM-BPHPCYGNSA-N	1	0	364.471	1.580	20	30		FDEDRO
CC[S@](=O)[C@@H]1CCC[C@@H](NC(NCC(=O)N2CCCCC2)=[NH+]C)C1	ZINC000261651318	672642947	/nfs/dbraw/zinc/64/29/47/672642947.db2.gz	FDKFYRKKLMHLSO-FENDNCTDSA-N	1	0	356.536	1.244	20	30		FDEDRO
C[NH+]=C(NCc1cccs1)N1CCN([C@H](C)C(=O)N2CCCC2)CC1	ZINC000261656817	672644430	/nfs/dbraw/zinc/64/44/30/672644430.db2.gz	AEXLWZCMRNRZND-OAHLLOKOSA-N	1	0	363.531	1.452	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCCO1)N1CCN(c2nc(CC)ns2)CC1	ZINC000261665656	672646271	/nfs/dbraw/zinc/64/62/71/672646271.db2.gz	BKACMAABPMOPQD-ZDUSSCGKSA-N	1	0	352.508	1.367	20	30		FDEDRO
CC[NH+]=C(NCc1ccsc1)NCC1CCN(S(C)(=O)=O)CC1	ZINC000261699928	672654031	/nfs/dbraw/zinc/65/40/31/672654031.db2.gz	TUUSTSXHGKOTII-UHFFFAOYSA-N	1	0	358.533	1.475	20	30		FDEDRO
C[NH+]=C(NCC1(SC)CCOCC1)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000261728769	672659817	/nfs/dbraw/zinc/65/98/17/672659817.db2.gz	LJRDPNDAUWDQLA-INIZCTEOSA-N	1	0	370.563	1.128	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCC[C@@H](C)C1)N1CCN(C(C)(C)C(N)=O)CC1	ZINC000261747163	672664034	/nfs/dbraw/zinc/66/40/34/672664034.db2.gz	NANPQIORCGXITD-HZPDHXFCSA-N	1	0	351.539	1.660	20	30		FDEDRO
[NH2+]=C(NCc1cc(Br)c2c(c1)OCCO2)NC[C@@H]1CCCO1	ZINC000261891593	672689460	/nfs/dbraw/zinc/68/94/60/672689460.db2.gz	UAWHHWVIMNJYBC-NSHDSACASA-N	1	0	370.247	1.804	20	30		FDEDRO
C[NH+]=C(NCCS(=O)(=O)C(C)(C)C)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000261947695	672699648	/nfs/dbraw/zinc/69/96/48/672699648.db2.gz	NMNDVCYBRQXJEM-UHFFFAOYSA-N	1	0	374.551	1.106	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(S(C)(=O)=O)cc1)N1CC[C@]2(CCOC2)C1	ZINC000261954579	672701108	/nfs/dbraw/zinc/70/11/08/672701108.db2.gz	IJYQKBPYRVPRIO-SFHVURJKSA-N	1	0	365.499	1.668	20	30		FDEDRO
C[NH+]=C(NCc1nccn1C(F)F)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000261958696	672701926	/nfs/dbraw/zinc/70/19/26/672701926.db2.gz	OZBYDJXYPHQMMM-UHFFFAOYSA-N	1	0	356.421	1.685	20	30		FDEDRO
CC[NH+]=C(NCc1ccccc1[N+](=O)[O-])N1CCS(=O)(=O)C(C)(C)C1	ZINC000262020526	672712995	/nfs/dbraw/zinc/71/29/95/672712995.db2.gz	YSLBPZMHJQUNJT-UHFFFAOYSA-N	1	0	368.459	1.569	20	30		FDEDRO
[NH2+]=C(NCCNS(=O)(=O)c1cccc(Cl)c1Cl)NC1CC1	ZINC000262173092	672740493	/nfs/dbraw/zinc/74/04/93/672740493.db2.gz	VKJXBLZXIAFOQH-UHFFFAOYSA-N	1	0	351.259	1.338	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCS[C@H](C(C)C)C1	ZINC000262326631	672770233	/nfs/dbraw/zinc/77/02/33/672770233.db2.gz	AEYQOWHBRPCRDQ-GJZGRUSLSA-N	1	0	361.577	1.849	20	30		FDEDRO
CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C	ZINC000262356341	672775882	/nfs/dbraw/zinc/77/58/82/672775882.db2.gz	GAKDKFOPECJNBW-BYNSBNAKSA-N	1	0	357.520	1.180	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C)C12CCCC2	ZINC000262380317	672779666	/nfs/dbraw/zinc/77/96/66/672779666.db2.gz	KHKHPVAYBUFEMY-SOUVJXGZSA-N	1	0	357.520	1.324	20	30		FDEDRO
Cc1nc(CNC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)sc1C	ZINC000262417927	672786245	/nfs/dbraw/zinc/78/62/45/672786245.db2.gz	QNEDBEIIAFAABK-LBPRGKRZSA-N	1	0	356.517	1.392	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N[C@H]1CCOc2ccccc21	ZINC000262452284	672792286	/nfs/dbraw/zinc/79/22/86/672792286.db2.gz	WFLISVMXUWOFQY-ZBFHGGJFSA-N	1	0	365.499	1.889	20	30		FDEDRO
C=CCNC(=[NH+]C[C@H]1CCS(=O)(=O)C1)N1CCc2cc(F)ccc2C1	ZINC000262452842	672792318	/nfs/dbraw/zinc/79/23/18/672792318.db2.gz	WGKZDPKZKDZDSC-CQSZACIVSA-N	1	0	365.474	1.750	20	30		FDEDRO
CC[C@H](C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCSC(C)(C)C1	ZINC000262467339	672794622	/nfs/dbraw/zinc/79/46/22/672794622.db2.gz	YMOBUALTHQGNSJ-UONOGXRCSA-N	1	0	361.577	1.993	20	30		FDEDRO
CN(C)[C@]1(CNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)CCSC1	ZINC000262482171	672796895	/nfs/dbraw/zinc/79/68/95/672796895.db2.gz	RTISOEZZBMFFIU-SFHVURJKSA-N	1	0	365.522	1.700	20	30		FDEDRO
CS(=O)(=O)CC1(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CCC1	ZINC000263052917	672859912	/nfs/dbraw/zinc/85/99/12/672859912.db2.gz	DQBMUIJUGZNDIV-CQSZACIVSA-N	1	0	351.472	1.629	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(/C(N)=[NH+]/Cc2cn3ccsc3n2)CC1	ZINC000264084301	672900603	/nfs/dbraw/zinc/90/06/03/672900603.db2.gz	JDWWWPQSDCDBQB-UHFFFAOYSA-N	1	0	364.475	1.763	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NC[C@H](O)COc1cccc(Cl)c1Cl	ZINC000264098526	672901160	/nfs/dbraw/zinc/90/11/60/672901160.db2.gz	NDUIPYYXYFYWFT-UWVGGRQHSA-N	1	0	350.246	1.672	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@](C)(O)c2cccs2)CC1	ZINC000267428131	673302945	/nfs/dbraw/zinc/30/29/45/673302945.db2.gz	LYYOJVJETAOJKF-MRXNPFEDSA-N	1	0	354.476	1.481	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCCN(C)CC(F)(F)F)cc1OC	ZINC000267461525	673306558	/nfs/dbraw/zinc/30/65/58/673306558.db2.gz	VJSIZAAUCZBLQD-UHFFFAOYSA-N	1	0	362.396	1.645	20	30		FDEDRO
C=C[C@H](CO)[NH2+][C@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1	ZINC000289782876	676177908	/nfs/dbraw/zinc/17/79/08/676177908.db2.gz	MVSRLTVAWQLUES-UKRRQHHQSA-N	1	0	350.440	1.956	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000281813960	675563538	/nfs/dbraw/zinc/56/35/38/675563538.db2.gz	SAJNJUUHRHWBEX-NVXWUHKLSA-N	1	0	350.488	1.529	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1([S@@](C)=O)CC1	ZINC000281924717	675576812	/nfs/dbraw/zinc/57/68/12/675576812.db2.gz	JTBGNDNHORBGNJ-RUZDIDTESA-N	1	0	362.499	1.543	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1	ZINC000282588819	675636960	/nfs/dbraw/zinc/63/69/60/675636960.db2.gz	HPTYDJGFWIBAPW-FUHWJXTLSA-N	1	0	364.515	1.477	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC1CC[NH+](CCc2ccccc2)CC1	ZINC000283005133	675647040	/nfs/dbraw/zinc/64/70/40/675647040.db2.gz	ZGCBJDPZOYLBRU-INIZCTEOSA-N	1	0	364.515	1.619	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1	ZINC000290986276	676238510	/nfs/dbraw/zinc/23/85/10/676238510.db2.gz	WKTCWTXWJRZNCF-CQSZACIVSA-N	1	0	353.488	1.609	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[NH+]([C@H](C)CC)CC2)c1	ZINC000296876076	676421644	/nfs/dbraw/zinc/42/16/44/676421644.db2.gz	IXZYUMXFJVRWKO-OAHLLOKOSA-N	1	0	363.483	1.154	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCCC2CC[NH+](C)CC2)cc1	ZINC000299625599	676538247	/nfs/dbraw/zinc/53/82/47/676538247.db2.gz	PSOGFOVKCWSDNV-UHFFFAOYSA-N	1	0	365.499	1.613	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCCc1ccc(C(F)(F)F)cc1	ZINC000303699370	676542579	/nfs/dbraw/zinc/54/25/79/676542579.db2.gz	GYSKUNBQBIETLT-UHFFFAOYSA-N	1	0	358.408	1.875	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NCc1ccccc1S(=O)(=O)N1CCCCC1	ZINC000303774302	676542837	/nfs/dbraw/zinc/54/28/37/676542837.db2.gz	FUWYXQJZTNFUMT-AWEZNQCLSA-N	1	0	368.503	1.300	20	30		FDEDRO
[NH2+]=C(NCc1cccc(OCCN2CCOCC2)c1)N1CCSCC1	ZINC000303889286	676543476	/nfs/dbraw/zinc/54/34/76/676543476.db2.gz	PJXWVBRPKMWHHQ-UHFFFAOYSA-N	1	0	364.515	1.261	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCCOCC(F)(F)F)CC1	ZINC000303881333	676543533	/nfs/dbraw/zinc/54/35/33/676543533.db2.gz	HPFYLWUJUHJIEO-UHFFFAOYSA-N	1	0	354.373	1.481	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1ccc(Br)cc1C	ZINC000304736097	676544161	/nfs/dbraw/zinc/54/41/61/676544161.db2.gz	WCWBMKZEBGYGLI-UHFFFAOYSA-N	1	0	369.307	1.755	20	30		FDEDRO
CN(C)C(NCc1ccccc1)=[NH+]CCS(=O)(=O)N1CCSCC1	ZINC000304747504	676544456	/nfs/dbraw/zinc/54/44/56/676544456.db2.gz	GLCDATSXIIDHOR-UHFFFAOYSA-N	1	0	370.544	1.072	20	30		FDEDRO
C[N@H+](CC(=O)NC[C@H]1COc2ccccc2O1)CC1(O)CCOCC1	ZINC000328600038	676599472	/nfs/dbraw/zinc/59/94/72/676599472.db2.gz	CRSHLBCPNIHPLJ-AWEZNQCLSA-N	1	0	350.415	1.256	20	30		FDEDRO
CN(C)C(=O)CC1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1	ZINC000328624973	676600254	/nfs/dbraw/zinc/60/02/54/676600254.db2.gz	ZZFNOFJSTLPXJB-UHFFFAOYSA-N	1	0	350.507	1.965	20	30		FDEDRO
Cc1nc(N2CCN(C(=O)NC[C@H]3C[N@@H+](C)CCN3C)CC2)sc1C	ZINC000328692393	676602558	/nfs/dbraw/zinc/60/25/58/676602558.db2.gz	RQABEOJVBWGGML-HNNXBMFYSA-N	1	0	366.535	1.042	20	30		FDEDRO
Cc1sc(=O)n(CCC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c1C	ZINC000328702012	676602973	/nfs/dbraw/zinc/60/29/73/676602973.db2.gz	JLVFRPQMRNGKFC-UHFFFAOYSA-N	1	0	354.520	1.899	20	30		FDEDRO
Cc1nnc([C@H](C)NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)s1	ZINC000328738743	676604734	/nfs/dbraw/zinc/60/47/34/676604734.db2.gz	MHYPNYXMKWSISE-GXTWGEPZSA-N	1	0	353.492	1.866	20	30		FDEDRO
CC[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)CC[N@@H+]1C[C@@H](C)O	ZINC000328787853	676607016	/nfs/dbraw/zinc/60/70/16/676607016.db2.gz	XHYSGVWYIGIOFD-RBSFLKMASA-N	1	0	352.479	1.719	20	30		FDEDRO
CC(C)(C)n1ncnc1CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000328834884	676608971	/nfs/dbraw/zinc/60/89/71/676608971.db2.gz	WVVUTYWKBSZEJJ-CQSZACIVSA-N	1	0	350.467	1.101	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCO[C@H]3C3CC3)CC2)CC1	ZINC000328841964	676609232	/nfs/dbraw/zinc/60/92/32/676609232.db2.gz	PXFFAGFADYWLLF-MSOLQXFVSA-N	1	0	350.507	1.616	20	30		FDEDRO
Cc1csc(NC(=O)CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)n1	ZINC000328919706	676612171	/nfs/dbraw/zinc/61/21/71/676612171.db2.gz	BQAYRAXTNHYYJU-ZFWWWQNUSA-N	1	0	351.520	1.997	20	30		FDEDRO
Cc1noc([C@@H]2CCN(C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)C2)n1	ZINC000328978566	676614752	/nfs/dbraw/zinc/61/47/52/676614752.db2.gz	CKOVSGUEJMPFII-CQSZACIVSA-N	1	0	350.467	1.107	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CN(C)S(=O)(=O)c1cccnc1	ZINC000329048825	676617515	/nfs/dbraw/zinc/61/75/15/676617515.db2.gz	KEUAHIRIOYACAO-HUUCEWRRSA-N	1	0	368.503	1.779	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)C1	ZINC000329114268	676620718	/nfs/dbraw/zinc/62/07/18/676620718.db2.gz	LVTGOCRMQRZJAW-JFIYKMOQSA-N	1	0	355.479	1.185	20	30		FDEDRO
Cc1noc([C@H]2CN(C(=O)NCCC3CC[NH+](C)CC3)CCN2C)n1	ZINC000329122704	676621409	/nfs/dbraw/zinc/62/14/09/676621409.db2.gz	KZNDCLCAFSIJOR-OAHLLOKOSA-N	1	0	350.467	1.312	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)CC2)C1=O	ZINC000329169636	676623483	/nfs/dbraw/zinc/62/34/83/676623483.db2.gz	JSIUORONCMWMMV-IRXDYDNUSA-N	1	0	350.507	1.903	20	30		FDEDRO
CC[C@@H]1CN(C(=O)NC[C@H](C)C[NH+]2CCCCC2)C[C@@H](C)S1(=O)=O	ZINC000329244694	676628308	/nfs/dbraw/zinc/62/83/08/676628308.db2.gz	URGVENDZNGNYGK-ARFHVFGLSA-N	1	0	359.536	1.920	20	30		FDEDRO
CN(CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)C1CCC(F)(F)CC1	ZINC000329397468	676636930	/nfs/dbraw/zinc/63/69/30/676636930.db2.gz	XVHOLDVHZSZPAW-JTQLQIEISA-N	1	0	367.418	1.554	20	30		FDEDRO
CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C[C@@H]1C	ZINC000329412327	676637518	/nfs/dbraw/zinc/63/75/18/676637518.db2.gz	CGGWMGGQOAJTJK-SOUVJXGZSA-N	1	0	372.535	1.272	20	30		FDEDRO
CCc1nnc(CNC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)s1	ZINC000329618028	676646210	/nfs/dbraw/zinc/64/62/10/676646210.db2.gz	QHLMJCUCFVYOCS-GFCCVEGCSA-N	1	0	353.492	1.700	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N[C@@H]1CCO[C@@H](C2CC2)C1	ZINC000329631292	676647051	/nfs/dbraw/zinc/64/70/51/676647051.db2.gz	RJEOHJVXJWRXOJ-ZJPYXAASSA-N	1	0	351.491	1.825	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(Cc2cscn2)CC1)CN1CCOCC1	ZINC000329724870	676651803	/nfs/dbraw/zinc/65/18/03/676651803.db2.gz	BQQAWQGUGWESNS-HNNXBMFYSA-N	1	0	367.519	1.143	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCOC3(CCOCC3)C2)C[C@@H]1C	ZINC000329775225	676655229	/nfs/dbraw/zinc/65/52/29/676655229.db2.gz	JCNJRZSETRUERU-HRCADAONSA-N	1	0	355.479	1.016	20	30		FDEDRO
Cn1cc(C2CCN(C(=O)NC[C@]3([NH+](C)C)CCSC3)CC2)cn1	ZINC000329962770	676665942	/nfs/dbraw/zinc/66/59/42/676665942.db2.gz	SWTIFVWSEMOXRZ-QGZVFWFLSA-N	1	0	351.520	1.951	20	30		FDEDRO
COCc1nc2n(n1)CCC[C@@H]2NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1	ZINC000329970796	676666160	/nfs/dbraw/zinc/66/61/60/676666160.db2.gz	VFDRWPWEIIOYGN-KBPBESRZSA-N	1	0	350.467	1.447	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)N3CC[C@](C)(C(N)=O)C3)CC2)CC1	ZINC000329975522	676666651	/nfs/dbraw/zinc/66/66/51/676666651.db2.gz	YEGWHPZKKFARQI-SFHVURJKSA-N	1	0	351.495	1.706	20	30		FDEDRO
C[C@H](C[C@@H]1CCCO1)NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000330129995	676674621	/nfs/dbraw/zinc/67/46/21/676674621.db2.gz	KGDQOJGKWDRTFS-OWCLPIDISA-N	1	0	352.479	1.096	20	30		FDEDRO
COCCO[C@@H]1COCC[C@@H]1NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21	ZINC000330192450	676677764	/nfs/dbraw/zinc/67/77/64/676677764.db2.gz	XYNIHILNQDHLGV-LTIDMASMSA-N	1	0	355.479	1.137	20	30		FDEDRO
CC[C@@H]1CN(C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)CC[N@@H+]1CCOC	ZINC000330211789	676678755	/nfs/dbraw/zinc/67/87/55/676678755.db2.gz	DHEYQWLHWOQXMF-JFIYKMOQSA-N	1	0	371.547	1.998	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)C1	ZINC000330215281	676679199	/nfs/dbraw/zinc/67/91/99/676679199.db2.gz	MGXMMNWUKZVRHS-ZMSDIMECSA-N	1	0	350.463	1.811	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@@H]3CCCC[C@H]3S(C)(=O)=O)CC[C@@H]21	ZINC000330272756	676682267	/nfs/dbraw/zinc/68/22/67/676682267.db2.gz	YCBWGLJPOJZULU-LVQVYYBASA-N	1	0	357.520	1.672	20	30		FDEDRO
C[C@H](CN1CCCC1=O)NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	ZINC000330273246	676682390	/nfs/dbraw/zinc/68/23/90/676682390.db2.gz	YXEICOGSDIXPPF-CABCVRRESA-N	1	0	352.479	1.096	20	30		FDEDRO
COC(=O)[C@]1(C)CN(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C	ZINC000330436838	676690664	/nfs/dbraw/zinc/69/06/64/676690664.db2.gz	YXJRPBHUVLHOJG-ZXFNITATSA-N	1	0	355.479	1.531	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)CC1	ZINC000330504120	676694462	/nfs/dbraw/zinc/69/44/62/676694462.db2.gz	DKCWGIUPZWARGK-OAHLLOKOSA-N	1	0	360.524	1.179	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H](C)C[NH+](C)C	ZINC000330685224	676700557	/nfs/dbraw/zinc/70/05/57/676700557.db2.gz	UJOSQFWEHODNIH-AWEZNQCLSA-N	1	0	369.487	1.271	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(O)(C(F)(F)F)CC1	ZINC000330696955	676701077	/nfs/dbraw/zinc/70/10/77/676701077.db2.gz	DYVOAZUSRXKIQY-LBPRGKRZSA-N	1	0	353.385	1.400	20	30		FDEDRO
CN(C)S(=O)(=O)c1cccc(C(=O)NCC2(C)CC[NH+](C)CC2)c1	ZINC000330786057	676704090	/nfs/dbraw/zinc/70/40/90/676704090.db2.gz	UZTUCDODSYLMNP-UHFFFAOYSA-N	1	0	353.488	1.973	20	30		FDEDRO
C[C@H](CCNC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1)[NH+]1CCCCC1	ZINC000330823415	676705368	/nfs/dbraw/zinc/70/53/68/676705368.db2.gz	NYYMXNITNUHNII-HZPDHXFCSA-N	1	0	374.551	1.426	20	30		FDEDRO
CNS(=O)(=O)c1cccc(NC(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c1	ZINC000330836191	676705800	/nfs/dbraw/zinc/70/58/00/676705800.db2.gz	WWIWZSYKPXVUAS-ZIAGYGMSSA-N	1	0	372.516	1.118	20	30		FDEDRO
COc1cc(C)c(NC(=O)N2CCC([N@H+](C)CCO)CC2)cc1OC	ZINC000330854919	676706865	/nfs/dbraw/zinc/70/68/65/676706865.db2.gz	HRMATIIWKBATRP-UHFFFAOYSA-N	1	0	351.447	1.946	20	30		FDEDRO
Cc1ccc(NC(=O)NC[C@H](C)[NH+](C)C)cc1N1CCCS1(=O)=O	ZINC000330876849	676707790	/nfs/dbraw/zinc/70/77/90/676707790.db2.gz	VTNKZIJVPBENMF-ZDUSSCGKSA-N	1	0	354.476	1.811	20	30		FDEDRO
CNS(=O)(=O)c1ccc(NC(=O)NCC[N@@H+]2CCCC[C@H]2C)nc1	ZINC000331130885	676718022	/nfs/dbraw/zinc/71/80/22/676718022.db2.gz	BCBSLQJNMCMJMH-GFCCVEGCSA-N	1	0	355.464	1.190	20	30		FDEDRO
CN(C)S(=O)(=O)c1ccccc1NC(=O)N1CC[C@@H](C[NH+](C)C)C1	ZINC000331180071	676720189	/nfs/dbraw/zinc/72/01/89/676720189.db2.gz	RFGBTSWFKXFJFV-ZDUSSCGKSA-N	1	0	354.476	1.366	20	30		FDEDRO
CC[NH+](CC)[C@H]1CCN(C(=O)NC2CCN(S(=O)(=O)C(C)C)CC2)C1	ZINC000331289008	676725824	/nfs/dbraw/zinc/72/58/24/676725824.db2.gz	OMCGOXNCVAIJJR-INIZCTEOSA-N	1	0	374.551	1.519	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1	ZINC000363066162	676932856	/nfs/dbraw/zinc/93/28/56/676932856.db2.gz	LJEGUBUCIWEXHU-QGZVFWFLSA-N	1	0	362.499	1.267	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CSCN2C(=O)C2CCC2)CC1	ZINC000363662437	676967924	/nfs/dbraw/zinc/96/79/24/676967924.db2.gz	VPARHDAHVBRDOL-MRXNPFEDSA-N	1	0	351.516	1.845	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cccnc2C#N)[C@@H]1c1cccs1	ZINC000364331834	677008520	/nfs/dbraw/zinc/00/85/20/677008520.db2.gz	MGKJRCIVMJIHKC-BLLLJJGKSA-N	1	0	362.480	1.986	20	30		FDEDRO
COC(=O)[C@@H]1CN(C(=O)Nc2ccc(C#N)cc2Cl)CC[N@H+](C)C1	ZINC000416928494	679732722	/nfs/dbraw/zinc/73/27/22/679732722.db2.gz	YTKVFPVRNPZTEC-LBPRGKRZSA-N	1	0	350.806	1.780	20	30		FDEDRO
C[C@H]1CN(CC(=O)Nc2sccc2C#N)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000367029483	677480334	/nfs/dbraw/zinc/48/03/34/677480334.db2.gz	MFZCWKMQXIKOMW-GOEBONIOSA-N	1	0	361.515	1.516	20	30		FDEDRO
C#CCCS(=O)(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	ZINC000367956816	677497136	/nfs/dbraw/zinc/49/71/36/677497136.db2.gz	GXDJCKKIPIOIIV-HNNXBMFYSA-N	1	0	356.875	1.953	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC1CC[NH+](CCc2ccncc2)CC1	ZINC000368520345	677500170	/nfs/dbraw/zinc/50/01/70/677500170.db2.gz	UILNCDHYKXEELX-HNNXBMFYSA-N	1	0	365.503	1.014	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)NC1CC[NH+](CC2CCCC2)CC1	ZINC000370201162	677551887	/nfs/dbraw/zinc/55/18/87/677551887.db2.gz	HPWRZGOLIYDBGK-UHFFFAOYSA-N	1	0	372.535	1.337	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1	ZINC000370293824	677561872	/nfs/dbraw/zinc/56/18/72/677561872.db2.gz	JFRNOTKITLUFIG-IPYPFGDCSA-N	1	0	356.517	1.667	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)NC1CC[NH+](CC2CCCC2)CC1	ZINC000373282021	678057296	/nfs/dbraw/zinc/05/72/96/678057296.db2.gz	BHKLBYHJVIMCIF-UHFFFAOYSA-N	1	0	357.520	1.541	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1	ZINC000373934858	678069035	/nfs/dbraw/zinc/06/90/35/678069035.db2.gz	BNRTXMBMCJXIJM-JKSUJKDBSA-N	1	0	363.483	1.508	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1	ZINC000374400926	678077880	/nfs/dbraw/zinc/07/78/80/678077880.db2.gz	IFZOWMNTXUSXDD-OIISXLGYSA-N	1	0	350.488	1.748	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1	ZINC000374448137	678080863	/nfs/dbraw/zinc/08/08/63/678080863.db2.gz	DZRMJVGAOSQMBI-KBMXLJTQSA-N	1	0	351.476	1.000	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1	ZINC000374582646	678087418	/nfs/dbraw/zinc/08/74/18/678087418.db2.gz	DPFKBHIXZXYPFO-OAHLLOKOSA-N	1	0	365.503	1.709	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)cc1	ZINC000375050577	678093680	/nfs/dbraw/zinc/09/36/80/678093680.db2.gz	RWJNUORVLKTNGG-PBHICJAKSA-N	1	0	363.483	1.317	20	30		FDEDRO
C=CCC[C@@H](O)C[NH+]1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000377544511	678558593	/nfs/dbraw/zinc/55/85/93/678558593.db2.gz	QEZKJIVRRCXDPA-IAGOWNOFSA-N	1	0	353.507	1.941	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@](CO)(C(C)C)C2)CC1	ZINC000377623496	678576959	/nfs/dbraw/zinc/57/69/59/678576959.db2.gz	FEXVZOHCZOEJNI-IEBWSBKVSA-N	1	0	350.507	1.019	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CNS(=O)(=O)CCC(C)(C)C#N)[C@@H]1c1cccnc1	ZINC000377868661	678638431	/nfs/dbraw/zinc/63/84/31/678638431.db2.gz	KDPIEMWAVWYWTJ-HOTGVXAUSA-N	1	0	350.488	1.934	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N(CCC#N)CCN2CCOCC2)C1	ZINC000377936522	678655357	/nfs/dbraw/zinc/65/53/57/678655357.db2.gz	HXPFBXLYRZWOCS-GOSISDBHSA-N	1	0	354.470	1.273	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](N3CC[NH+]([C@@H]4CCSC4)CC3)C2=O)cc1	ZINC000378015960	678672886	/nfs/dbraw/zinc/67/28/86/678672886.db2.gz	CGWWMULUPVZICG-QZTJIDSGSA-N	1	0	356.495	1.787	20	30		FDEDRO
CS(=O)(=O)N1CCC(C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)CC1	ZINC000378459704	678748838	/nfs/dbraw/zinc/74/88/38/678748838.db2.gz	GWZLEVXATFTXMK-VQHPVUNQSA-N	1	0	355.504	1.487	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)NCC1CC[NH+](CCC(C)C)CC1	ZINC000409482196	678848322	/nfs/dbraw/zinc/84/83/22/678848322.db2.gz	FKYJJEDVQBANNE-UHFFFAOYSA-N	1	0	374.551	1.441	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N(CCCc1ccccc1)CC[NH+](C)C	ZINC000409558725	678859453	/nfs/dbraw/zinc/85/94/53/678859453.db2.gz	QQWJFULYAQSICW-UHFFFAOYSA-N	1	0	366.531	1.963	20	30		FDEDRO
CC[NH+](CC)[C@H](CNS(=O)(=O)N(C)C[C@H](C)C#N)Cc1ccccc1	ZINC000409561059	678860076	/nfs/dbraw/zinc/86/00/76/678860076.db2.gz	IVNCMPWBSDEXBK-AEFFLSMTSA-N	1	0	366.531	1.865	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)NCCCC[NH+]1CCC(C)CC1	ZINC000409565996	678861136	/nfs/dbraw/zinc/86/11/36/678861136.db2.gz	SANCLXJUNGZEKN-UHFFFAOYSA-N	1	0	360.524	1.195	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N1CC[NH+](CCC(C)(C)C)CC1	ZINC000409595140	678866139	/nfs/dbraw/zinc/86/61/39/678866139.db2.gz	OXULRLLMCQQHLH-UHFFFAOYSA-N	1	0	360.524	1.147	20	30		FDEDRO
COC1CC[NH+](C2(CNS(=O)(=O)N(C)C[C@@H](C)C#N)CCCC2)CC1	ZINC000410146254	678884857	/nfs/dbraw/zinc/88/48/57/678884857.db2.gz	VPSJXICVWUWQRS-HNNXBMFYSA-N	1	0	372.535	1.336	20	30		FDEDRO
CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1	ZINC000411397982	679027849	/nfs/dbraw/zinc/02/78/49/679027849.db2.gz	NJAJQECCDMOOIY-LBPRGKRZSA-N	1	0	350.394	1.513	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC[NH2+]C2(C)C)cc1	ZINC000415591920	679460195	/nfs/dbraw/zinc/46/01/95/679460195.db2.gz	BINNQIPJDPIPJQ-FZMZJTMJSA-N	1	0	350.444	1.634	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1	ZINC000415603198	679462874	/nfs/dbraw/zinc/46/28/74/679462874.db2.gz	TWVUYZQPSRDATC-GUYCJALGSA-N	1	0	364.471	1.884	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1C(F)(F)F	ZINC000415664439	679474596	/nfs/dbraw/zinc/47/45/96/679474596.db2.gz	ZIDDWDYHURCLCZ-WDEREUQCSA-N	1	0	354.332	1.902	20	30		FDEDRO
CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)s1	ZINC000415834238	679519090	/nfs/dbraw/zinc/51/90/90/679519090.db2.gz	NQUJXDVZAOWBLW-LBPRGKRZSA-N	1	0	364.471	1.350	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)c1[nH]c(=O)[nH]c(=O)c1OC)C(C)C	ZINC000416154785	679560242	/nfs/dbraw/zinc/56/02/42/679560242.db2.gz	BLMVZRSSHDZSGW-GFCCVEGCSA-N	1	0	350.419	1.325	20	30		FDEDRO
C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCCSCc2ccccc2C#N)C1	ZINC000418921115	680153387	/nfs/dbraw/zinc/15/33/87/680153387.db2.gz	LTKAKGFGXDLNJR-DZGCQCFKSA-N	1	0	360.483	1.103	20	30		FDEDRO
C[C@@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)C[N@@H+]1CCO	ZINC000419350837	680242639	/nfs/dbraw/zinc/24/26/39/680242639.db2.gz	ZVFBDJKIONCAOY-OLZOCXBDSA-N	1	0	350.850	1.537	20	30		FDEDRO
C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cccc(C#N)c1Br	ZINC000419663987	680310545	/nfs/dbraw/zinc/31/05/45/680310545.db2.gz	IRUNTRZXPYFMDZ-SNVBAGLBSA-N	1	0	367.247	1.716	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)c1ccc(F)c(F)c1	ZINC000419678947	680317997	/nfs/dbraw/zinc/31/79/97/680317997.db2.gz	OUMYFMDZCUSKKO-FFSVYQOJSA-N	1	0	351.397	1.942	20	30		FDEDRO
CN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000420402423	680440031	/nfs/dbraw/zinc/44/00/31/680440031.db2.gz	ITXBTLAJPBUPGN-UHFFFAOYSA-N	1	0	358.261	1.693	20	30		FDEDRO
C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000420421125	680444255	/nfs/dbraw/zinc/44/42/55/680444255.db2.gz	FPHNJZLDKWMXAY-NOZJJQNGSA-N	1	0	358.261	1.597	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1cccc(Br)c1C#N	ZINC000420438021	680451124	/nfs/dbraw/zinc/45/11/24/680451124.db2.gz	QUEHYIWOVQPFPZ-SKDRFNHKSA-N	1	0	358.261	1.597	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2C#N)CC[C@H]1[NH3+]	ZINC000420440962	680452494	/nfs/dbraw/zinc/45/24/94/680452494.db2.gz	CHBMKCVYQCLGLU-BXKDBHETSA-N	1	0	358.261	1.679	20	30		FDEDRO
C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1cccc(Br)c1C#N	ZINC000420441977	680453339	/nfs/dbraw/zinc/45/33/39/680453339.db2.gz	DHNWSMLKYOKNMM-SNVBAGLBSA-N	1	0	358.261	1.693	20	30		FDEDRO
C[C@@H]1CC[C@H](O)C[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000420995847	680586181	/nfs/dbraw/zinc/58/61/81/680586181.db2.gz	ABYCZIAHPDZHDP-PMPSAXMXSA-N	1	0	362.499	1.302	20	30		FDEDRO
C[C@@H]1CC[C@H](O)C[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000420995846	680586323	/nfs/dbraw/zinc/58/63/23/680586323.db2.gz	ABYCZIAHPDZHDP-OWCLPIDISA-N	1	0	362.499	1.302	20	30		FDEDRO
CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1C	ZINC000425751353	680924180	/nfs/dbraw/zinc/92/41/80/680924180.db2.gz	YZHOTYZSWBSZMK-UHFFFAOYSA-N	1	0	367.247	1.636	20	30		FDEDRO
Cc1c(NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)ccc(Br)c1C#N	ZINC000425792282	680930260	/nfs/dbraw/zinc/93/02/60/680930260.db2.gz	ZPJVBBLQSCIJPV-VIFPVBQESA-N	1	0	367.247	1.634	20	30		FDEDRO
CN(CCC#N)C(=O)CC[NH2+][C@H](CO)c1ccc(Br)c(F)c1	ZINC000429001761	681020044	/nfs/dbraw/zinc/02/00/44/681020044.db2.gz	GZLUOQLPZXYEGZ-CQSZACIVSA-N	1	0	372.238	1.973	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)CC(=O)N1CC[NH2+]CC1	ZINC000430617477	681086552	/nfs/dbraw/zinc/08/65/52/681086552.db2.gz	NAEWXYSEKWPSGR-OAHLLOKOSA-N	1	0	364.515	1.015	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNS(=O)(=O)Cc2ccc(C#N)cc2F)CCCO1	ZINC000432333517	681153372	/nfs/dbraw/zinc/15/33/72/681153372.db2.gz	BNNCTPYQEOVZNJ-AWEZNQCLSA-N	1	0	369.462	1.618	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC([C@H](O)C(=O)NC2CC2)CC1	ZINC000434716653	681515635	/nfs/dbraw/zinc/51/56/35/681515635.db2.gz	GUGYZQVGDLSZDO-YOEHRIQHSA-N	1	0	351.491	1.151	20	30		FDEDRO
C=C(C)CS(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	ZINC000435432994	681593157	/nfs/dbraw/zinc/59/31/57/681593157.db2.gz	PTORQISPUJFSJM-UHFFFAOYSA-N	1	0	357.520	1.206	20	30		FDEDRO
N#Cc1ccsc1NC(=O)CC[N@H+](CCC(F)(F)F)C[C@H](O)CO	ZINC000438564054	681866773	/nfs/dbraw/zinc/86/67/73/681866773.db2.gz	YLRMHKJFWGDABF-NSHDSACASA-N	1	0	365.377	1.556	20	30		FDEDRO
COc1ccc(CC[NH2+]Cc2ccc(C#N)c(C)c2)cc1S(N)(=O)=O	ZINC000444001089	682372101	/nfs/dbraw/zinc/37/21/01/682372101.db2.gz	GTKCLAJGGRHHNT-UHFFFAOYSA-N	1	0	359.451	1.855	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C#N)c2Br)C1	ZINC000448932261	682649194	/nfs/dbraw/zinc/64/91/94/682649194.db2.gz	HNZSQXPBNFCFBA-LBPRGKRZSA-N	1	0	352.232	1.771	20	30		FDEDRO
N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccccc2S(=O)(=O)N2CCOCC2)C1	ZINC000449444491	682682287	/nfs/dbraw/zinc/68/22/87/682682287.db2.gz	AXZKZRCDWPDTIP-RDJZCZTQSA-N	1	0	363.483	1.879	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc1	ZINC000449693402	682700932	/nfs/dbraw/zinc/70/09/32/682700932.db2.gz	DEJIWCYRXLCFAE-OAHLLOKOSA-N	1	0	351.472	1.269	20	30		FDEDRO
COC[C@@]1(CO)CC[N@@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000451938200	682975148	/nfs/dbraw/zinc/97/51/48/682975148.db2.gz	URMORGQGNLOQCL-TXLGJMDYSA-N	1	0	351.491	1.637	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1	ZINC000452099039	683026283	/nfs/dbraw/zinc/02/62/83/683026283.db2.gz	BWBATICSNBHBGP-GFCCVEGCSA-N	1	0	352.416	1.570	20	30		FDEDRO
N#Cc1ncc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1Cl	ZINC000453609663	683169772	/nfs/dbraw/zinc/16/97/72/683169772.db2.gz	BBZGRPYMLGDUPX-CYBMUJFWSA-N	1	0	361.833	1.632	20	30		FDEDRO
C[N@H+](CCNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1)C1CCCCC1	ZINC000453637051	683172971	/nfs/dbraw/zinc/17/29/71/683172971.db2.gz	ATTLRIQLGMOVGK-UHFFFAOYSA-N	1	0	363.849	1.926	20	30		FDEDRO
CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000453756070	683206601	/nfs/dbraw/zinc/20/66/01/683206601.db2.gz	YAPHGQFKAZWPMH-UHFFFAOYSA-N	1	0	363.849	1.880	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@](COC)(C(=O)OC)C2)CC1	ZINC000454470947	683320461	/nfs/dbraw/zinc/32/04/61/683320461.db2.gz	XOTLELLFOHHBDG-GOSISDBHSA-N	1	0	353.463	1.248	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000459043160	684360721	/nfs/dbraw/zinc/36/07/21/684360721.db2.gz	OLQNFWAIQZEDKP-TVFCKZIOSA-N	1	0	350.507	1.387	20	30		FDEDRO
CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@@H](C#N)C2)c1	ZINC000463291522	684682289	/nfs/dbraw/zinc/68/22/89/684682289.db2.gz	XFNZRWMDQCBKIR-BFHYXJOUSA-N	1	0	364.471	1.594	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2nc(CCOC)no2)CC1	ZINC000468170987	684892802	/nfs/dbraw/zinc/89/28/02/684892802.db2.gz	WJQNNKXKOGCCCK-UHFFFAOYSA-N	1	0	351.451	1.440	20	30		FDEDRO
COC(=O)C[C@H]1CSCC[N@@H+]1CCC(=O)Nc1sccc1C#N	ZINC000475891858	685658116	/nfs/dbraw/zinc/65/81/16/685658116.db2.gz	KCPIWAXORRJFIC-LBPRGKRZSA-N	1	0	353.469	1.929	20	30		FDEDRO
CC[C@@]1(O)CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1	ZINC000495263833	687614099	/nfs/dbraw/zinc/61/40/99/687614099.db2.gz	VOROMETUJGJRJE-MAUKXSAKSA-N	1	0	362.499	1.304	20	30		FDEDRO
COCC[N@@H+]1CCCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1	ZINC000506495264	688572660	/nfs/dbraw/zinc/57/26/60/688572660.db2.gz	OSCIFXYGEPYHIZ-SFHVURJKSA-N	1	0	353.463	1.429	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)CCO2)cc1OCCCC#N	ZINC000507850470	688683413	/nfs/dbraw/zinc/68/34/13/688683413.db2.gz	XFCZXQFOYTZACI-OAHLLOKOSA-N	1	0	368.455	1.281	20	30		FDEDRO
C=CCn1c([C@@H](C)OCCOC)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1	ZINC000508748849	688749774	/nfs/dbraw/zinc/74/97/74/688749774.db2.gz	SSPOKFIUGFXXGY-CVEARBPZSA-N	1	0	351.495	1.965	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C(C)(C)C(=O)OCC)CC1	ZINC000510127170	689349117	/nfs/dbraw/zinc/34/91/17/689349117.db2.gz	KGCDESHMCMYHHG-CYBMUJFWSA-N	1	0	353.463	1.688	20	30		FDEDRO
CC[N@@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C[C@H](C)O	ZINC000510127943	689349234	/nfs/dbraw/zinc/34/92/34/689349234.db2.gz	PQVUIFCEYRYXQV-LSDHHAIUSA-N	1	0	350.488	1.160	20	30		FDEDRO
C=C(C)CS(=O)(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000511252173	689495779	/nfs/dbraw/zinc/49/57/79/689495779.db2.gz	OZCBGNVPVBDBKE-LJQANCHMSA-N	1	0	363.527	1.784	20	30		FDEDRO
CC[NH+](CC)CCN(Cc1cccs1)C(=O)NCC(=O)NCC#N	ZINC000511921295	689566501	/nfs/dbraw/zinc/56/65/01/689566501.db2.gz	VFFVYOMCMFQQMW-UHFFFAOYSA-N	1	0	351.476	1.241	20	30		FDEDRO
C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1	ZINC000512433040	689614708	/nfs/dbraw/zinc/61/47/08/689614708.db2.gz	JKWYTPKREZOSMU-BBWFWOEESA-N	1	0	352.475	1.620	20	30		FDEDRO
C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H]1CCCN(S(C)(=O)=O)C1	ZINC000512444699	689616169	/nfs/dbraw/zinc/61/61/69/689616169.db2.gz	RGFDJVXDNUPPBE-OAHLLOKOSA-N	1	0	356.488	1.822	20	30		FDEDRO
COc1cc(C[NH2+]CCn2cnc(C#N)n2)ccc1OCC(F)(F)F	ZINC000512885566	689646660	/nfs/dbraw/zinc/64/66/60/689646660.db2.gz	RVJFGYZLZIBOBV-UHFFFAOYSA-N	1	0	355.320	1.889	20	30		FDEDRO
CCO[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)[C@@]12CCCO2	ZINC000514856942	689776116	/nfs/dbraw/zinc/77/61/16/689776116.db2.gz	LMFXJKLFTUQGRR-KURKYZTESA-N	1	0	364.467	1.648	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(C#N)c(F)c1	ZINC000516103995	689916604	/nfs/dbraw/zinc/91/66/04/689916604.db2.gz	OQMADOASVGWNMT-IUODEOHRSA-N	1	0	354.451	1.619	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H](CO)Cc2ccc(F)cc2)c1	ZINC000519155504	690188079	/nfs/dbraw/zinc/18/80/79/690188079.db2.gz	GFLUAFUDSSPNSU-KRWDZBQOSA-N	1	0	362.426	1.664	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1	ZINC000528057325	694698407	/nfs/dbraw/zinc/69/84/07/694698407.db2.gz	GOFRXRFMALHCFX-SFHVURJKSA-N	1	0	363.483	1.479	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCC[N@H+]2CC[C@@H](C)C2)c1	ZINC000525291876	694604023	/nfs/dbraw/zinc/60/40/23/694604023.db2.gz	GDBVNCAIZINSLV-CQSZACIVSA-N	1	0	351.472	1.223	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2F)C[C@@H]1[NH+]1CCCC1	ZINC000525836334	694637332	/nfs/dbraw/zinc/63/73/32/694637332.db2.gz	GECFIRBYEDPIGZ-GJZGRUSLSA-N	1	0	369.487	1.898	20	30		FDEDRO
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)[N@H+](C)C[C@H]1C	ZINC001164631525	719238549	/nfs/dbraw/zinc/23/85/49/719238549.db2.gz	DUFINFCEHCDATH-MGPQQGTHSA-N	1	0	353.426	1.939	20	30		FDEDRO
Cn1nnc2c1CCN(c1ccc(C#N)cn1)[C@@H]2COCC[NH+]1CCCC1	ZINC001164715771	720163641	/nfs/dbraw/zinc/16/36/41/720163641.db2.gz	WMFSMMJZMZRCFL-QGZVFWFLSA-N	1	0	367.457	1.298	20	30		FDEDRO
Cc1nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)ccc1CC#N	ZINC001164739024	720772479	/nfs/dbraw/zinc/77/24/79/720772479.db2.gz	HQGJXOMOIICMHA-IRXDYDNUSA-N	1	0	350.426	1.588	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1noc2c1CN(c1nccc(Cl)c1C#N)CC2	ZINC001164748831	720949836	/nfs/dbraw/zinc/94/98/36/720949836.db2.gz	DGLLICGHKLJEOK-UHFFFAOYSA-N	1	0	374.832	1.449	20	30		FDEDRO
N#Cc1ncc(Cl)nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164867782	721063344	/nfs/dbraw/zinc/06/33/44/721063344.db2.gz	KJZICAAVOMEHTQ-LSDHHAIUSA-N	1	0	370.844	1.876	20	30		FDEDRO
N#Cc1cc(Cl)nnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164871963	721064618	/nfs/dbraw/zinc/06/46/18/721064618.db2.gz	ZYJXDXJYZCXHSY-HOTGVXAUSA-N	1	0	370.844	1.876	20	30		FDEDRO
N#CCc1cncc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1	ZINC001164869716	721127454	/nfs/dbraw/zinc/12/74/54/721127454.db2.gz	ACPXCEYGMLHORE-ZWKOTPCHSA-N	1	0	350.426	1.417	20	30		FDEDRO
C[NH+](C)CCOCc1ncn2c1CN(c1cncc(CC#N)n1)CCC2	ZINC001165002654	722255647	/nfs/dbraw/zinc/25/56/47/722255647.db2.gz	RXNGMCJCVXOQMC-UHFFFAOYSA-N	1	0	355.446	1.228	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)C[N@H+]4CC[C@@H](C)C4)[C@@H]3C2)nc1	ZINC001022721721	782598743	/nfs/dbraw/zinc/59/87/43/782598743.db2.gz	SYQNIBVJNFHMEL-HHXXYDBFSA-N	1	0	366.465	1.078	20	30		FDEDRO
COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)cc1C#N	ZINC001022726617	782679488	/nfs/dbraw/zinc/67/94/88/782679488.db2.gz	FUDWRTLAGFHBOE-WTTBNOFXSA-N	1	0	370.453	1.205	20	30		FDEDRO
C#CCN(C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)C1CC1	ZINC000784918285	769254434	/nfs/dbraw/zinc/25/44/34/769254434.db2.gz	JTBGCECOAMDOGV-UHFFFAOYSA-N	1	0	356.426	1.140	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]2C)cn1	ZINC001020441335	769715732	/nfs/dbraw/zinc/71/57/32/769715732.db2.gz	RPLRCZZXLZTPEU-UDTPNQRGSA-N	1	0	368.481	1.512	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@@H]2C)cc1	ZINC001020450023	769790349	/nfs/dbraw/zinc/79/03/49/769790349.db2.gz	XVUDDTMEMFLOCN-LVFSCSRESA-N	1	0	369.465	1.106	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1ncc3cccnc31)C2	ZINC001112475751	769920893	/nfs/dbraw/zinc/92/08/93/769920893.db2.gz	VRMYARPNPDYCBB-PXNSSMCTSA-N	1	0	351.454	1.673	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCO[C@@H]3C[N@H+](CCC4CCOCC4)C[C@@H]32)c1	ZINC001083188318	769982103	/nfs/dbraw/zinc/98/21/03/769982103.db2.gz	PBHXGFHSQIUELG-VQTJNVASSA-N	1	0	369.465	1.405	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncnn2-c2ccccc2)C1	ZINC001022736893	782798258	/nfs/dbraw/zinc/79/82/58/782798258.db2.gz	IVFLQWOGUXGTCT-ATLSCFEFSA-N	1	0	367.453	1.595	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCCCCC2)C1	ZINC001022737001	782798732	/nfs/dbraw/zinc/79/87/32/782798732.db2.gz	MFJRLAMROHZYNE-XDNAFOTISA-N	1	0	363.502	1.607	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)CC(F)F)C2	ZINC001112478025	770141734	/nfs/dbraw/zinc/14/17/34/770141734.db2.gz	QWNIQNCBDODSAT-DEYYWGMASA-N	1	0	357.445	1.798	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccc(F)cc2C#N)CCCO1	ZINC000277596338	782816971	/nfs/dbraw/zinc/81/69/71/782816971.db2.gz	AOKAAAWJGSDISA-CYBMUJFWSA-N	1	0	362.405	1.253	20	30		FDEDRO
COc1cc(OCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)ccc1C#N	ZINC000277607544	782851470	/nfs/dbraw/zinc/85/14/70/782851470.db2.gz	NCKHZUUIJRKCKZ-KRWDZBQOSA-N	1	0	361.442	1.419	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)Cn2cc(C)cn2)C[C@H]1c1ccccc1	ZINC001211545726	782855332	/nfs/dbraw/zinc/85/53/32/782855332.db2.gz	FZIYUWICFXUPSE-VQTJNVASSA-N	1	0	366.465	1.426	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@](C)(C(=O)NC)C2)c(OC)c1	ZINC000430259807	770825982	/nfs/dbraw/zinc/82/59/82/770825982.db2.gz	FPSJCLAGJZJZSQ-OXQOHEQNSA-N	1	0	362.470	1.621	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnnn2-c2ccccc2)C1	ZINC001020604499	770980111	/nfs/dbraw/zinc/98/01/11/770980111.db2.gz	ACTGIEMIQAOQHY-RGCFKVTRSA-N	1	0	367.453	1.595	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](N[C@H](C)c2nc(COC)no2)C1	ZINC001020604903	770982984	/nfs/dbraw/zinc/98/29/84/770982984.db2.gz	TVAVIIQPTZDEJE-KSTCHIGDSA-N	1	0	350.419	1.105	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2COc3ccccc3O2)C1	ZINC001020604962	770983035	/nfs/dbraw/zinc/98/30/35/770983035.db2.gz	WQBPMFDNARKQOL-HHARLNAUSA-N	1	0	358.438	1.654	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(F)cc2F)C1	ZINC001020605314	770984461	/nfs/dbraw/zinc/98/44/61/770984461.db2.gz	BKVFEDAFROCVGE-TWPJJVAPSA-N	1	0	366.408	1.826	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H](O)c2cc(F)ccc2F)C1	ZINC001020605328	770984542	/nfs/dbraw/zinc/98/45/42/770984542.db2.gz	CHDAJFBEYMZJSH-QVXTZCDOSA-N	1	0	366.408	1.826	20	30		FDEDRO
N#CCCn1cc(C(=O)CN2CCc3n[nH]c(=O)cc3C2)c2ccccc21	ZINC000274916900	770994460	/nfs/dbraw/zinc/99/44/60/770994460.db2.gz	XXQGEXPNZQOBLK-UHFFFAOYSA-N	1	0	361.405	1.879	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)c1	ZINC000969973820	771145344	/nfs/dbraw/zinc/14/53/44/771145344.db2.gz	SCSRCBQETKBLOW-IJEWVQPXSA-N	1	0	358.417	1.289	20	30		FDEDRO
Cn1cc(C#N)cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000535632266	771284994	/nfs/dbraw/zinc/28/49/94/771284994.db2.gz	POOJWWMUCVENMB-ROUUACIJSA-N	1	0	352.438	1.510	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)nc1	ZINC000535632883	771348250	/nfs/dbraw/zinc/34/82/50/771348250.db2.gz	SYTCHGZZIWKQRV-QZTJIDSGSA-N	1	0	350.422	1.566	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1	ZINC001104236306	771461528	/nfs/dbraw/zinc/46/15/28/771461528.db2.gz	TWHYWJNRPCMBGO-ZYHUDNBSSA-N	1	0	358.870	1.034	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCO[C@@H](C)C2)C1	ZINC001104247012	771807976	/nfs/dbraw/zinc/80/79/76/771807976.db2.gz	RRXZZUCWMIRUHB-FGTMMUONSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+][C@H](C)C(=O)N(C)C(C)C)CC1	ZINC001167277832	771856907	/nfs/dbraw/zinc/85/69/07/771856907.db2.gz	VBNFSIUPBCAAEO-ZACQAIPSSA-N	1	0	365.518	1.709	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](n2cc(C[NH2+]CC3CC3)nn2)C1	ZINC001075377537	772010171	/nfs/dbraw/zinc/01/01/71/772010171.db2.gz	GNIRHTMGYCVJET-KURKYZTESA-N	1	0	359.474	1.532	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H](n2cc(C[NH2+]CC)nn2)C1	ZINC001075379408	772060797	/nfs/dbraw/zinc/06/07/97/772060797.db2.gz	IQKBVORXQIJYSZ-BZSNNMDCSA-N	1	0	361.490	1.922	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCNC2=O)C1	ZINC001112512766	782989212	/nfs/dbraw/zinc/98/92/12/782989212.db2.gz	RPUDKYZMZJBPMK-PXNSSMCTSA-N	1	0	360.502	1.424	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc3occc3[nH]2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104254039	772359883	/nfs/dbraw/zinc/35/98/83/772359883.db2.gz	QDGJIXIWTCEUPA-CHWSQXEVSA-N	1	0	357.414	1.088	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccn(C(C)(C)C)n2)C[C@H]1C	ZINC001104256932	772450102	/nfs/dbraw/zinc/45/01/02/772450102.db2.gz	WMFJOWUSCKFFSR-IAGOWNOFSA-N	1	0	360.502	1.976	20	30		FDEDRO
C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(=O)COC)C[C@H]1C	ZINC001104259386	772499351	/nfs/dbraw/zinc/49/93/51/772499351.db2.gz	LXDCQMMUEBNBKI-QZTJIDSGSA-N	1	0	367.534	1.912	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(OC)nn1	ZINC001087215941	783057791	/nfs/dbraw/zinc/05/77/91/783057791.db2.gz	ZTVANMZRQRARAO-SPUZQDLCSA-N	1	0	374.485	1.793	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)C4CC(C)C4)[C@@H]3C2)CC1	ZINC001021359159	773021837	/nfs/dbraw/zinc/02/18/37/773021837.db2.gz	FKRFGLSCPGBUFY-VWPHEMMRSA-N	1	0	357.498	1.437	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC#C[C@H]2CCCCO2)CC1=O	ZINC000891126068	773335500	/nfs/dbraw/zinc/33/55/00/773335500.db2.gz	FMIFZZNHZUVHGI-KZNAEPCWSA-N	1	0	361.486	1.008	20	30		FDEDRO
O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000328697141	773600266	/nfs/dbraw/zinc/60/02/66/773600266.db2.gz	UNPCUMUZKDBDHW-RZFLPCETSA-N	1	0	363.502	1.825	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ncoc4CC)[C@@H]3C2)C1=O	ZINC001075634209	773679875	/nfs/dbraw/zinc/67/98/75/773679875.db2.gz	CSGLCFCUIFWMSM-RRFJBIMHSA-N	1	0	358.442	1.170	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1COCCN1CC1CCC1)C2	ZINC001112492967	773735646	/nfs/dbraw/zinc/73/56/46/773735646.db2.gz	KZQGHGGNPMZLBS-ZVDOUQERSA-N	1	0	359.514	1.339	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cncc(CC)c2)C[C@H]1C	ZINC001104420595	783133108	/nfs/dbraw/zinc/13/31/08/783133108.db2.gz	XMDPAXWVQKVSCO-NVXWUHKLSA-N	1	0	356.470	1.081	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(Cc3ccc(OC)c(F)c3)CC2)CC1	ZINC000050025444	773910705	/nfs/dbraw/zinc/91/07/05/773910705.db2.gz	OGZSPQJVAYMUGB-UHFFFAOYSA-N	1	0	373.472	1.824	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000656191730	774186551	/nfs/dbraw/zinc/18/65/51/774186551.db2.gz	VPRGHTGHMAZKIT-DYXWJJEUSA-N	1	0	373.497	1.998	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCSC)C2)C1=O	ZINC001111584180	774226739	/nfs/dbraw/zinc/22/67/39/774226739.db2.gz	IJZPPPIURIFVTG-MPGHIAIKSA-N	1	0	351.516	1.497	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N2CC[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]32)CC1	ZINC001021636852	774324078	/nfs/dbraw/zinc/32/40/78/774324078.db2.gz	ZHIFKQCRKAWXHJ-MAUKXSAKSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC)C1	ZINC001112496333	774330692	/nfs/dbraw/zinc/33/06/92/774330692.db2.gz	RIFNFHJYEYEGOA-IPELMVKDSA-N	1	0	351.491	1.180	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cc(C)no2)C1	ZINC001104306340	774443297	/nfs/dbraw/zinc/44/32/97/774443297.db2.gz	ZBCYQCIADOQUFL-SUMDDJOVSA-N	1	0	358.486	1.655	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(=O)N(C)CC)CC1	ZINC001167419684	774522997	/nfs/dbraw/zinc/52/29/97/774522997.db2.gz	HTUPZFSNMGEFIJ-WMZOPIPTSA-N	1	0	365.518	1.712	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1CC[NH2+]CC#Cc1ccccc1	ZINC001104309241	774546924	/nfs/dbraw/zinc/54/69/24/774546924.db2.gz	QEXYIAPDLIQWJR-JYRKZWEQSA-N	1	0	370.493	1.916	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC1(C[NH2+]Cc2cnn(C)n2)CC1	ZINC001167422101	774560757	/nfs/dbraw/zinc/56/07/57/774560757.db2.gz	IMLWXAGMPXRROG-IRXDYDNUSA-N	1	0	361.490	1.563	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc2c(c1)nnn2C	ZINC001087136493	774675530	/nfs/dbraw/zinc/67/55/30/774675530.db2.gz	VZRGQJIUPFSTOJ-YCPHGPKFSA-N	1	0	354.458	1.845	20	30		FDEDRO
CNC(=O)c1cccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H](C)C#N)c1	ZINC001087136589	774676851	/nfs/dbraw/zinc/67/68/51/774676851.db2.gz	ZXINJNDHOBFFJX-RKVPGOIHSA-N	1	0	356.470	1.923	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1	ZINC001021707751	774723292	/nfs/dbraw/zinc/72/32/92/774723292.db2.gz	PGECTNFEDJEGQV-LSDHHAIUSA-N	1	0	353.894	1.920	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1(C[NH2+][C@H]2CCN(CC)C2=O)CC1	ZINC001167435214	774842316	/nfs/dbraw/zinc/84/23/16/774842316.db2.gz	NVUGGMXZLUSICD-ULQDDVLXSA-N	1	0	363.502	1.465	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCc3ccc(C#N)cc32)[C@H](C)C1	ZINC000275987761	774860046	/nfs/dbraw/zinc/86/00/46/774860046.db2.gz	IDTDTJOSAWPBND-PBHICJAKSA-N	1	0	354.454	1.636	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[NH+](C(C)(C)CC)CC1	ZINC000656337115	775039291	/nfs/dbraw/zinc/03/92/91/775039291.db2.gz	OSCGNPHQYXDIIE-HOTGVXAUSA-N	1	0	351.491	1.417	20	30		FDEDRO
COc1cc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cc(C#N)c[nH]2)on1	ZINC001087143808	775207725	/nfs/dbraw/zinc/20/77/25/775207725.db2.gz	NMNVVPQWURSUQK-OCCSQVGLSA-N	1	0	357.414	1.913	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3[nH]nc(C(F)(F)F)c3C)[C@H]2C1	ZINC001083214908	775564724	/nfs/dbraw/zinc/56/47/24/775564724.db2.gz	XCTLSGYJJJBRLD-NWDGAFQWSA-N	1	0	356.348	1.285	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087148237	775568939	/nfs/dbraw/zinc/56/89/39/775568939.db2.gz	LNRYOWUCXPRRST-LZQZEXGQSA-N	1	0	368.481	1.801	20	30		FDEDRO
CCn1nncc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC001087151569	776001736	/nfs/dbraw/zinc/00/17/36/776001736.db2.gz	ZJZMZECZNWEKAX-HIFRSBDPSA-N	1	0	355.446	1.528	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2COCCN2C)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087152541	776089448	/nfs/dbraw/zinc/08/94/48/776089448.db2.gz	HUBCOOOPXWQVSD-LSTHTHJFSA-N	1	0	370.497	1.606	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)CC4CCC4)C[C@H]32)CC1	ZINC001021883328	776483103	/nfs/dbraw/zinc/48/31/03/776483103.db2.gz	DOUDMVAAPYUREP-RBUKOAKNSA-N	1	0	357.498	1.581	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C=C4CCC4)C[C@H]32)CC1	ZINC001021883618	776484990	/nfs/dbraw/zinc/48/49/90/776484990.db2.gz	JXWQICHZDAEIID-RBUKOAKNSA-N	1	0	355.482	1.501	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)c4cccs4)C[C@H]32)CC1	ZINC001021884164	776498446	/nfs/dbraw/zinc/49/84/46/776498446.db2.gz	TXUWJLNROBZISX-DLBZAZTESA-N	1	0	371.506	1.766	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C4CC(C)C4)C[C@H]32)CC1	ZINC001021884180	776498458	/nfs/dbraw/zinc/49/84/58/776498458.db2.gz	TZRWENPNFGQPEV-VWPHEMMRSA-N	1	0	357.498	1.437	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H]2CCNC(=O)C2)C1	ZINC001075419889	776770123	/nfs/dbraw/zinc/77/01/23/776770123.db2.gz	CEAHWLPOLXCSKD-YQVWRLOYSA-N	1	0	371.456	1.507	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)c2nc(OC)cc(OC)n2)C[C@H]1C	ZINC001104355020	776931156	/nfs/dbraw/zinc/93/11/56/776931156.db2.gz	KJIXERXJWOYAJH-DGCLKSJQSA-N	1	0	368.865	1.934	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](F)c2ccccc2)C[C@H]1C	ZINC001104735075	790499773	/nfs/dbraw/zinc/49/97/73/790499773.db2.gz	LBYHWXMMVIGABZ-SZVBFZGTSA-N	1	0	359.445	1.521	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC2CC2)C[C@H]1c1ccccc1	ZINC001211515615	777069270	/nfs/dbraw/zinc/06/92/70/777069270.db2.gz	YNECBVPFIQHWQM-ZYSHUDEJSA-N	1	0	353.466	1.509	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cc(=O)n(C)o2)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087156912	777107755	/nfs/dbraw/zinc/10/77/55/777107755.db2.gz	GMGHBKKLZXIWNJ-PBHICJAKSA-N	1	0	368.437	1.880	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H]2CCN(C)C2=O)C1	ZINC001075422024	777231368	/nfs/dbraw/zinc/23/13/68/777231368.db2.gz	HAKFFJRMOCVBRN-BHIYHBOVSA-N	1	0	371.456	1.459	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H]2CCN(C)C2=O)C1	ZINC001075422025	777232064	/nfs/dbraw/zinc/23/20/64/777232064.db2.gz	HAKFFJRMOCVBRN-QRQLOZEOSA-N	1	0	371.456	1.459	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cnnn2C)[C@H](C[NH2+]Cc2cc(C#N)ccc2F)C1	ZINC001087160491	777753622	/nfs/dbraw/zinc/75/36/22/777753622.db2.gz	NGEAIFOBOOWVSM-CJNGLKHVSA-N	1	0	370.432	1.856	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)C[C@H]1C	ZINC001104365405	777777018	/nfs/dbraw/zinc/77/70/18/777777018.db2.gz	JHPNWSIEXBYSNI-MRVWCRGKSA-N	1	0	367.881	1.373	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N(C)[C@H]3CC[N@@H+](C)C[C@H]3C)CC2)o1	ZINC000276534833	778027387	/nfs/dbraw/zinc/02/73/87/778027387.db2.gz	FJWDAEYEXUNQTO-DYVFJYSZSA-N	1	0	359.474	1.870	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1	ZINC000933443635	778141250	/nfs/dbraw/zinc/14/12/50/778141250.db2.gz	YLRBPFLRHDRXLM-MRXNPFEDSA-N	1	0	353.260	1.472	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)nc1	ZINC000891500641	778151854	/nfs/dbraw/zinc/15/18/54/778151854.db2.gz	ZWOBYMGJJYGUQJ-VBUUOAMHSA-N	1	0	368.485	1.752	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1c1ccccc1	ZINC001211520328	778577959	/nfs/dbraw/zinc/57/79/59/778577959.db2.gz	FJAAUGPHAARTBP-VQTJNVASSA-N	1	0	365.433	1.168	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1CC[NH2+]CC#Cc1ccccc1	ZINC001104375536	778604348	/nfs/dbraw/zinc/60/43/48/778604348.db2.gz	RBTYXFCQAWEABU-YZGWKJHDSA-N	1	0	367.493	1.639	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1	ZINC000971707260	778767962	/nfs/dbraw/zinc/76/79/62/778767962.db2.gz	FZPISFGMUHJZJJ-HYVNUMGLSA-N	1	0	355.442	1.044	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1	ZINC000971719684	778841376	/nfs/dbraw/zinc/84/13/76/778841376.db2.gz	XSQAACVFBDGRIJ-YSVLISHTSA-N	1	0	355.442	1.044	20	30		FDEDRO
CCN(C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CC[NH2+]C1	ZINC000891764698	779304080	/nfs/dbraw/zinc/30/40/80/779304080.db2.gz	LCPNMZFNSIHBIP-DLBZAZTESA-N	1	0	355.442	1.447	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N[C@H](C)CN2CCN(c3ccccn3)CC2)[N@H+](C)C1	ZINC000328921033	779343215	/nfs/dbraw/zinc/34/32/15/779343215.db2.gz	BJZNTSNOJIZKGC-IKGGRYGDSA-N	1	0	361.490	1.268	20	30		FDEDRO
CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCC(C)(C)C#N)c2)CC1	ZINC000510700853	779577356	/nfs/dbraw/zinc/57/73/56/779577356.db2.gz	OTGNSUCJMNNTHM-UHFFFAOYSA-N	1	0	357.458	1.433	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(=O)n(CCOC)c2)C[C@H]1C	ZINC001104383060	779679913	/nfs/dbraw/zinc/67/99/13/779679913.db2.gz	XSKHJWNCRWEORA-IAGOWNOFSA-N	1	0	361.486	1.759	20	30		FDEDRO
COC(=O)c1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[nH]1	ZINC000276820430	779739606	/nfs/dbraw/zinc/73/96/06/779739606.db2.gz	ANHQKDARCZVXTN-INIZCTEOSA-N	1	0	352.394	1.564	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2CCCNC2=O)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087177580	779763377	/nfs/dbraw/zinc/76/33/77/779763377.db2.gz	GTNBINQUWSDRKD-MNEFBYGVSA-N	1	0	368.481	1.801	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1	ZINC000971848457	779966857	/nfs/dbraw/zinc/96/68/57/779966857.db2.gz	XACODWWCVXQOTK-JJRVBVJISA-N	1	0	355.442	1.044	20	30		FDEDRO
C#CCC[NH+]1CCN(Cc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)CC1	ZINC000376857372	790777835	/nfs/dbraw/zinc/77/78/35/790777835.db2.gz	RJZKOYUUQLQEEL-UHFFFAOYSA-N	1	0	373.478	1.886	20	30		FDEDRO
C[NH+](C)C1(C(=O)N2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)CCC1	ZINC000971874489	780382873	/nfs/dbraw/zinc/38/28/73/780382873.db2.gz	DNFZPNNKXJZVQI-CZUORRHYSA-N	1	0	355.442	1.044	20	30		FDEDRO
C[NH+]=C(NCc1cccc(C(=O)NC2CC2)c1)N1CC[C@]2(CCOC2)C1	ZINC000262015384	781002241	/nfs/dbraw/zinc/00/22/41/781002241.db2.gz	XPKYMZQCLGDBCX-FQEVSTJZSA-N	1	0	356.470	1.767	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CCn2cccn2)C[C@H]1c1ccccc1	ZINC001211534293	781034576	/nfs/dbraw/zinc/03/45/76/781034576.db2.gz	YSAAQDQAVGJLCP-VQTJNVASSA-N	1	0	366.465	1.507	20	30		FDEDRO
Cc1c(C(=O)N2C[C@@H]3CCN(C(=O)[C@H](C)C#N)[C@@H]3C2)ccc2c[nH+]cn21	ZINC001022570449	781207203	/nfs/dbraw/zinc/20/72/03/781207203.db2.gz	ZLXSKPSFRLBHAW-HACGYAERSA-N	1	0	351.410	1.475	20	30		FDEDRO
Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)cc1F	ZINC001104398617	781692814	/nfs/dbraw/zinc/69/28/14/781692814.db2.gz	SZONRWOBGRCWNV-GDBMZVCRSA-N	1	0	360.433	1.462	20	30		FDEDRO
C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@H]1c1ccccc1	ZINC001211538205	781800766	/nfs/dbraw/zinc/80/07/66/781800766.db2.gz	WQSCTADLXGONEU-RYQLBKOJSA-N	1	0	361.511	1.988	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3nc4ccccn4c3F)[C@H]2C1	ZINC001083239499	781894283	/nfs/dbraw/zinc/89/42/83/781894283.db2.gz	FIOZUKYTWZCCAU-LSDHHAIUSA-N	1	0	358.417	1.965	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC)C2)OCC	ZINC001111765949	783304632	/nfs/dbraw/zinc/30/46/32/783304632.db2.gz	ODPQFGVFKAJENT-FCEWJHQRSA-N	1	0	351.491	1.465	20	30		FDEDRO
C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)Nc1sccc1C#N	ZINC000892282121	783359582	/nfs/dbraw/zinc/35/95/82/783359582.db2.gz	KUVOPDNICLQQPT-LBPRGKRZSA-N	1	0	355.423	1.691	20	30		FDEDRO
C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000892285996	783406177	/nfs/dbraw/zinc/40/61/77/783406177.db2.gz	WXDIOVFEJCXJNT-CYBMUJFWSA-N	1	0	367.384	1.768	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CC[NH2+]C34CCCC4)cc2C1=O	ZINC000648206661	783714015	/nfs/dbraw/zinc/71/40/15/783714015.db2.gz	JSEKGPBLNOWWCW-MRXNPFEDSA-N	1	0	353.422	1.873	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cccc(C[NH+](C)C)c3)C2)C1	ZINC001024128288	783772912	/nfs/dbraw/zinc/77/29/12/783772912.db2.gz	JGAHBIUDWMFFBN-QZTJIDSGSA-N	1	0	371.481	1.406	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1	ZINC000972862066	783964131	/nfs/dbraw/zinc/96/41/31/783964131.db2.gz	YWBUPDDHSACERE-JFIYKMOQSA-N	1	0	358.486	1.687	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)c(F)c1	ZINC001024157734	784031764	/nfs/dbraw/zinc/03/17/64/784031764.db2.gz	GQMATKHAIITZNR-BMFZPTHFSA-N	1	0	358.417	1.147	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1	ZINC000658515750	784209453	/nfs/dbraw/zinc/20/94/53/784209453.db2.gz	FCDCYQDCWAKEML-UHFFFAOYSA-N	1	0	373.497	1.818	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1	ZINC000658517081	784211373	/nfs/dbraw/zinc/21/13/73/784211373.db2.gz	MGMSUGVENFOAKH-ROUUACIJSA-N	1	0	365.518	1.808	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1	ZINC001112520562	784214503	/nfs/dbraw/zinc/21/45/03/784214503.db2.gz	KVGPDCJYCKRAOY-LNLFQRSKSA-N	1	0	368.543	1.996	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1	ZINC001024462923	784776491	/nfs/dbraw/zinc/77/64/91/784776491.db2.gz	YTTDPDBEWOMHFE-HLIPFELVSA-N	1	0	370.453	1.547	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)/C=C\c4ccco4)[C@@H]3C2)C1=O	ZINC001075499294	785262247	/nfs/dbraw/zinc/26/22/47/785262247.db2.gz	NYIOZDYQOFSZOK-LKDNYYOESA-N	1	0	355.438	1.612	20	30		FDEDRO
CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1	ZINC000365055199	785274953	/nfs/dbraw/zinc/27/49/53/785274953.db2.gz	OPGKZTXOCAXOIU-MOPGFXCFSA-N	1	0	368.481	1.849	20	30		FDEDRO
N#Cc1ccccc1N1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1	ZINC000365182274	785317077	/nfs/dbraw/zinc/31/70/77/785317077.db2.gz	HFJLQUKNSFJYMQ-ROUUACIJSA-N	1	0	369.469	1.253	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4c(c3)nnn4CC)[C@H]2C1	ZINC001083271795	785914743	/nfs/dbraw/zinc/91/47/43/785914743.db2.gz	CXYFLYVRWRAOON-ZWKOTPCHSA-N	1	0	355.442	1.553	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H]2CCNC2=O)C1	ZINC001211734556	785995002	/nfs/dbraw/zinc/99/50/02/785995002.db2.gz	YBYCHVKKWWLJKZ-OKZBNKHCSA-N	1	0	357.454	1.052	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]21	ZINC000978720209	805696400	/nfs/dbraw/zinc/69/64/00/805696400.db2.gz	RSZGQLRTMVWDQR-UEDWAMCQSA-N	1	0	351.450	1.943	20	30		FDEDRO
C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21	ZINC000978726194	805713833	/nfs/dbraw/zinc/71/38/33/805713833.db2.gz	FNBBJSWTHQKBGK-FZWVUDROSA-N	1	0	357.429	1.916	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)N(C)CC)C3)nc1	ZINC001111947693	786852887	/nfs/dbraw/zinc/85/28/87/786852887.db2.gz	WIWQDXXVTRDNKK-JXFKEZNVSA-N	1	0	354.454	1.126	20	30		FDEDRO
CN1CCN(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)C[C@H]1C#N	ZINC000376322108	787285158	/nfs/dbraw/zinc/28/51/58/787285158.db2.gz	PHSPTGDBHFEQGP-UAFMIMERSA-N	1	0	367.497	1.746	20	30		FDEDRO
N#Cc1ccc(-c2noc([C@@H](c3cccc(C#N)c3)N3CC[NH2+]CC3)n2)nc1	ZINC001211640842	787673731	/nfs/dbraw/zinc/67/37/31/787673731.db2.gz	QHGHLVGFEOXMGQ-GOSISDBHSA-N	1	0	371.404	1.870	20	30		FDEDRO
N#Cc1cc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2C[C@H]2C(N)=O)ccc1F	ZINC001025084421	787780296	/nfs/dbraw/zinc/78/02/96/787780296.db2.gz	WUCGAPIHAQVLPG-OAGGEKHMSA-N	1	0	358.417	1.289	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1snnc1C	ZINC001025090876	787829144	/nfs/dbraw/zinc/82/91/44/787829144.db2.gz	RYURBUOUPSCVEW-KFWWJZLASA-N	1	0	350.488	1.908	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C2(NC(N)=O)CCCCC2)C[C@H]1c1ccccc1	ZINC001211684453	805827224	/nfs/dbraw/zinc/82/72/24/805827224.db2.gz	YWWXSIQBWIONJW-ZWKOTPCHSA-N	1	0	368.481	1.575	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C1=O	ZINC000659040555	787869282	/nfs/dbraw/zinc/86/92/82/787869282.db2.gz	GFODELGGWIUPOL-IAGOWNOFSA-N	1	0	358.442	1.598	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCNC2=O)C1	ZINC001104563607	787924758	/nfs/dbraw/zinc/92/47/58/787924758.db2.gz	OUBJPVHXTUAXPR-BRWVUGGUSA-N	1	0	350.507	1.688	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3C3CCC3)C2)CC1	ZINC000978859705	805841187	/nfs/dbraw/zinc/84/11/87/805841187.db2.gz	UPPCAEVTTNOMQY-JOCLIGHLSA-N	1	0	371.525	1.779	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CCc2cn[nH]c2)C[C@H]1c1ccccc1	ZINC001211685610	805865908	/nfs/dbraw/zinc/86/59/08/805865908.db2.gz	FPUIYXFTSMXOKT-VQTJNVASSA-N	1	0	366.465	1.576	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1	ZINC000181375675	788338451	/nfs/dbraw/zinc/33/84/51/788338451.db2.gz	BJBWNIOXHQPAKJ-ZIAGYGMSSA-N	1	0	358.442	1.864	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104579727	788505840	/nfs/dbraw/zinc/50/58/40/788505840.db2.gz	PJXVKMCFMYPMEY-CHWSQXEVSA-N	1	0	356.417	1.136	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1	ZINC000973316267	788533619	/nfs/dbraw/zinc/53/36/19/788533619.db2.gz	PDWHOVJIZCBHLS-WSRJKRBPSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1	ZINC000973321845	788579073	/nfs/dbraw/zinc/57/90/73/788579073.db2.gz	GXIWNVQIMRSXJA-QAETUUGQSA-N	1	0	361.486	1.359	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1	ZINC000973325764	788613696	/nfs/dbraw/zinc/61/36/96/788613696.db2.gz	JEONOSDDPXPUHC-VQHPVUNQSA-N	1	0	361.486	1.359	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cn1	ZINC000973335833	788654308	/nfs/dbraw/zinc/65/43/08/788654308.db2.gz	UUIGOQXLRDFQPQ-XLAORIBOSA-N	1	0	354.454	1.170	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3nncn3C2)C1	ZINC001112001429	788703706	/nfs/dbraw/zinc/70/37/06/788703706.db2.gz	XEGABJMPKUDISM-GJYPPUQNSA-N	1	0	359.474	1.014	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)CC)C[C@H]1C	ZINC001104608387	788876489	/nfs/dbraw/zinc/87/64/89/788876489.db2.gz	HKUDYPCSDZMYGA-HUUCEWRRSA-N	1	0	366.506	1.509	20	30		FDEDRO
C[C@@H](CC(F)(F)F)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104619907	788922555	/nfs/dbraw/zinc/92/25/55/788922555.db2.gz	RHNGHRIQMIKZGQ-YNEHKIRRSA-N	1	0	362.396	1.289	20	30		FDEDRO
C=CCOCCNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)c(F)c1	ZINC000659479221	789002838	/nfs/dbraw/zinc/00/28/38/789002838.db2.gz	ISWCRPCJBXOJRS-HOCLYGCPSA-N	1	0	351.422	1.782	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(CCC=C)CC2)C[C@H]1C	ZINC001104631155	789057869	/nfs/dbraw/zinc/05/78/69/789057869.db2.gz	BXGQOVXDLJTKME-KZNAEPCWSA-N	1	0	359.514	1.945	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2(CC)CC2)C[C@H]1C	ZINC001104636101	789072999	/nfs/dbraw/zinc/07/29/99/789072999.db2.gz	OGKNITBWUORSBL-HUUCEWRRSA-N	1	0	364.490	1.263	20	30		FDEDRO
CCOc1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C2)ccn1	ZINC001104661446	789213058	/nfs/dbraw/zinc/21/30/58/789213058.db2.gz	GFKSBFVTDQQAKR-SJLPKXTDSA-N	1	0	359.470	1.818	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC#N)C1	ZINC001211646790	789262979	/nfs/dbraw/zinc/26/29/79/789262979.db2.gz	KSWXKIKOMJDDOR-ZWKOTPCHSA-N	1	0	368.481	1.813	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cc(CN3CCCC3)on2)C[C@H]1C	ZINC001104682516	789383760	/nfs/dbraw/zinc/38/37/60/789383760.db2.gz	UCVPZZXNIBMIDG-IAGOWNOFSA-N	1	0	358.486	1.982	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1	ZINC000978988455	805962513	/nfs/dbraw/zinc/96/25/13/805962513.db2.gz	HIAKBLMLOYGDNS-RZFLPCETSA-N	1	0	363.502	1.463	20	30		FDEDRO
C#C[C@@H]1CCCCN1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000892796117	791252129	/nfs/dbraw/zinc/25/21/29/791252129.db2.gz	HQRCBDUSNQCYQW-GOSISDBHSA-N	1	0	370.501	1.576	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@]3(C)C[NH+]4CCC3CC4)cc2C1=O	ZINC000892798703	791269354	/nfs/dbraw/zinc/26/93/54/791269354.db2.gz	HWWHKKJRCNYNIL-HXUWFJFHSA-N	1	0	353.422	1.683	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000415072462	791344753	/nfs/dbraw/zinc/34/47/53/791344753.db2.gz	MCUMIHKYXRMZGP-HNNXBMFYSA-N	1	0	371.441	1.243	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CC(c3cc(C(=O)OC)n[nH]3)C2)CC1	ZINC000892851535	791454148	/nfs/dbraw/zinc/45/41/48/791454148.db2.gz	LJLPMENUEDNRJK-UHFFFAOYSA-N	1	0	361.446	1.346	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2CC23CCN(c2cncc(C#N)n2)CC3)CC[N@@H+]1C	ZINC001058655763	791700978	/nfs/dbraw/zinc/70/09/78/791700978.db2.gz	JUOMQQRBUTXGJM-FVQBIDKESA-N	1	0	354.458	1.164	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1	ZINC000415270402	791795717	/nfs/dbraw/zinc/79/57/17/791795717.db2.gz	XZBPEDGHHSXWCR-KGLIPLIRSA-N	1	0	371.359	1.952	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCCCS(N)(=O)=O)C1	ZINC001112031237	791915474	/nfs/dbraw/zinc/91/54/74/791915474.db2.gz	AHRIPEJSYMZMRP-WMZOPIPTSA-N	1	0	371.547	1.772	20	30		FDEDRO
C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)C1	ZINC000415317531	791920520	/nfs/dbraw/zinc/92/05/20/791920520.db2.gz	LOYXAKOCXAHJJK-AWEZNQCLSA-N	1	0	365.393	1.504	20	30		FDEDRO
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1	ZINC000415333293	791938890	/nfs/dbraw/zinc/93/88/90/791938890.db2.gz	RDVMGPUKYAMETP-CQSZACIVSA-N	1	0	365.393	1.471	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1	ZINC000415398386	792179118	/nfs/dbraw/zinc/17/91/18/792179118.db2.gz	QNJASVKVUFJOEW-CYBMUJFWSA-N	1	0	358.442	1.870	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)C2CCS(=O)(=O)CC2)C[C@H]1C	ZINC001104748515	792202400	/nfs/dbraw/zinc/20/24/00/792202400.db2.gz	SUTRCISDCOTINA-NVXWUHKLSA-N	1	0	356.532	1.852	20	30		FDEDRO
C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	ZINC000415416382	792225987	/nfs/dbraw/zinc/22/59/87/792225987.db2.gz	SONKYSFIVXHUSU-CYBMUJFWSA-N	1	0	367.409	1.656	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)Cc2cccs2)C[C@H]1C(F)(F)F	ZINC001112035617	792245679	/nfs/dbraw/zinc/24/56/79/792245679.db2.gz	KDIYEKOEZRIVLX-ZIAGYGMSSA-N	1	0	360.401	1.919	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)NC[C@@H]([NH3+])C2CC2)c(C#N)cn1CCOC	ZINC000415495769	792369749	/nfs/dbraw/zinc/36/97/49/792369749.db2.gz	RMNPRSRTUJSGCS-CYBMUJFWSA-N	1	0	363.418	1.042	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC(=O)N3CCCC[C@@H]23)c(OC)c1	ZINC000644641322	792434608	/nfs/dbraw/zinc/43/46/08/792434608.db2.gz	QXNVOBFTHOZFTJ-KURKYZTESA-N	1	0	374.481	1.906	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H]2C(=O)NC[C@H]2C1	ZINC000377665443	792458512	/nfs/dbraw/zinc/45/85/12/792458512.db2.gz	GWLMUFQZPNDRGS-KEYYUXOJSA-N	1	0	358.417	1.529	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1	ZINC000415581012	792595193	/nfs/dbraw/zinc/59/51/93/792595193.db2.gz	MVTLHYQAISMFQD-QGTPRVQTSA-N	1	0	370.453	1.893	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)ccc1OC(F)(F)F	ZINC000415658069	792755907	/nfs/dbraw/zinc/75/59/07/792755907.db2.gz	UZIPCVWFTQJQJV-QWRGUYRKSA-N	1	0	370.331	1.781	20	30		FDEDRO
CCCc1c(NC(=O)C(=O)N[C@@H](C)C[NH3+])cnn1-c1cccc(C#N)c1	ZINC000415665177	792776069	/nfs/dbraw/zinc/77/60/69/792776069.db2.gz	XPUOBVPIKBTXES-LBPRGKRZSA-N	1	0	354.414	1.098	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)cc1	ZINC000728711648	792790977	/nfs/dbraw/zinc/79/09/77/792790977.db2.gz	MCMWOHOHHSOKEA-CQSZACIVSA-N	1	0	366.421	1.482	20	30		FDEDRO
C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	ZINC000415682186	792796560	/nfs/dbraw/zinc/79/65/60/792796560.db2.gz	RRCAZAGBRGHKPB-FZMZJTMJSA-N	1	0	369.450	1.877	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1C(F)(F)F	ZINC000415743159	792896339	/nfs/dbraw/zinc/89/63/39/792896339.db2.gz	KDPOEMFKZDBNDF-NWDGAFQWSA-N	1	0	366.343	1.583	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1C#N	ZINC000415738043	792902493	/nfs/dbraw/zinc/90/24/93/792902493.db2.gz	DGKCHUJMHXLHKS-DZGCQCFKSA-N	1	0	356.426	1.352	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1	ZINC000415770950	792968499	/nfs/dbraw/zinc/96/84/99/792968499.db2.gz	QVSGVSKQXMEOGR-RYUDHWBXSA-N	1	0	364.352	1.309	20	30		FDEDRO
CN(C(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)C1CC([NH3+])C1	ZINC000415784468	792988499	/nfs/dbraw/zinc/98/84/99/792988499.db2.gz	FLLJUEQDXUSFBR-UHFFFAOYSA-N	1	0	365.393	1.632	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1C#N	ZINC000415810096	793037279	/nfs/dbraw/zinc/03/72/79/793037279.db2.gz	NROGIXHUWAJTLD-HIFRSBDPSA-N	1	0	358.442	1.918	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C[C@@H]1[NH3+]	ZINC000415832996	793086553	/nfs/dbraw/zinc/08/65/53/793086553.db2.gz	HJDPMMXBFFGBAF-SKDRFNHKSA-N	1	0	370.331	1.243	20	30		FDEDRO
O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1	ZINC000415895839	793338908	/nfs/dbraw/zinc/33/89/08/793338908.db2.gz	QAFHFCSJUJYUGS-QZTJIDSGSA-N	1	0	374.444	1.488	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2ccccc2F)[C@H](NC(=O)Cc2ncc[nH]2)C1	ZINC001026121143	793403095	/nfs/dbraw/zinc/40/30/95/793403095.db2.gz	OBXDXFDPUOKYKG-IVMMDQJWSA-N	1	0	369.400	1.362	20	30		FDEDRO
N#Cc1ncccc1N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1	ZINC000290514329	793476148	/nfs/dbraw/zinc/47/61/48/793476148.db2.gz	FOTHGGOMNOWNAF-HNNXBMFYSA-N	1	0	365.441	1.661	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](NC(=O)COC)C(C)C)C[C@H]1C	ZINC001104761262	793531800	/nfs/dbraw/zinc/53/18/00/793531800.db2.gz	AUIJJLAGEOXWRJ-LMMKCTJWSA-N	1	0	367.534	1.814	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCc3ccnn3C)C2)nn1	ZINC001104769556	793556738	/nfs/dbraw/zinc/55/67/38/793556738.db2.gz	ZGJAQHBYAPGGBR-HZPDHXFCSA-N	1	0	371.489	1.128	20	30		FDEDRO
CCN1C(=O)N=NC1C1CCN(CC(=O)NC2(C#N)CCCCC2)CC1	ZINC000378147876	793578777	/nfs/dbraw/zinc/57/87/77/793578777.db2.gz	ZAZJGQMUBWZTEB-UHFFFAOYSA-N	1	0	360.462	1.526	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C1	ZINC001104782799	793634177	/nfs/dbraw/zinc/63/41/77/793634177.db2.gz	ULLIGOJZOIEMIZ-NCOADZHNSA-N	1	0	372.531	1.086	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCn2cncn2)C1	ZINC001104784467	793639257	/nfs/dbraw/zinc/63/92/57/793639257.db2.gz	PWIYIONLLUPWMW-BDXSIMOUSA-N	1	0	361.490	1.334	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccnc(C)c2)C[C@H]1C	ZINC001104816944	793873587	/nfs/dbraw/zinc/87/35/87/793873587.db2.gz	QLVYKWYFSXPDFQ-UWWQBHOKSA-N	1	0	358.486	1.769	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cn(CC3CC3)nn2)C[C@H]1C	ZINC001104850027	794056353	/nfs/dbraw/zinc/05/63/53/794056353.db2.gz	QZZUGBMXRHVMDK-NVXWUHKLSA-N	1	0	359.474	1.026	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC[C@@H]2CCCOC2)C[C@H]1C	ZINC001104851600	794067122	/nfs/dbraw/zinc/06/71/22/794067122.db2.gz	ZRUGXYJLCWPMQI-FGTMMUONSA-N	1	0	363.502	1.017	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cc(C(C)C)nn2C)C[C@H]1C	ZINC001104863593	794120507	/nfs/dbraw/zinc/12/05/07/794120507.db2.gz	WRZQRPUAVROYDW-IAGOWNOFSA-N	1	0	360.502	1.881	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2c3ccccc3nn2C)C[C@H]1C	ZINC001104870538	794150025	/nfs/dbraw/zinc/15/00/25/794150025.db2.gz	IOJXVCLRJAENDZ-IAGOWNOFSA-N	1	0	368.481	1.911	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)NCc2nc(C#N)cs2)CC1	ZINC000893240325	794155507	/nfs/dbraw/zinc/15/55/07/794155507.db2.gz	ZNUHEVDMFGFIBW-ZDUSSCGKSA-N	1	0	350.492	1.088	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3nc[nH]c3C2)C[C@H]1C	ZINC001104881572	794201860	/nfs/dbraw/zinc/20/18/60/794201860.db2.gz	HAPLXULJPNVJSJ-IXDOHACOSA-N	1	0	360.502	1.791	20	30		FDEDRO
Cn1cc(N2CCC[C@@H](N3CC[NH+](CCCC(C)(C)C#N)CC3)C2=O)cn1	ZINC000378533989	794284300	/nfs/dbraw/zinc/28/43/00/794284300.db2.gz	NGLSSGHQRAEVTH-GOSISDBHSA-N	1	0	372.517	1.863	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3n[nH]nc3C2)C[C@H]1C	ZINC001104904924	794314384	/nfs/dbraw/zinc/31/43/84/794314384.db2.gz	OQDFWVNVCPDNBP-MRVWCRGKSA-N	1	0	351.882	1.736	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCCN(C)C2=O)C[C@H]1C	ZINC001104905913	794329852	/nfs/dbraw/zinc/32/98/52/794329852.db2.gz	VKKHVGBLWHNANN-KZNAEPCWSA-N	1	0	365.518	1.522	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@H]1C	ZINC001104908798	794353274	/nfs/dbraw/zinc/35/32/74/794353274.db2.gz	LDQJLAUXRQSNMU-HUUCEWRRSA-N	1	0	361.490	1.064	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cn(CC)cn2)C[C@H]1C	ZINC001104914435	794373391	/nfs/dbraw/zinc/37/33/91/794373391.db2.gz	MUXYRPGQVRAADM-BZUAXINKSA-N	1	0	361.490	1.282	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)C(=O)Nc3c(C)cccc3C)[C@H]2C1	ZINC001083293738	794398614	/nfs/dbraw/zinc/39/86/14/794398614.db2.gz	VREWYMGTWOAHOV-DLBZAZTESA-N	1	0	357.454	1.730	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)CCCC(=O)NC(C)C)C[C@H]1C	ZINC001104921706	794404680	/nfs/dbraw/zinc/40/46/80/794404680.db2.gz	LKDPWWZAYBPBRF-QZTJIDSGSA-N	1	0	365.518	1.405	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)N(C)C)C2)nc1	ZINC001104924680	794423111	/nfs/dbraw/zinc/42/31/11/794423111.db2.gz	QLZASTOOHDMBSV-BFYDXBDKSA-N	1	0	356.470	1.227	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](C)c3nnc(C)[nH]3)C2)nc1	ZINC001104925001	794423749	/nfs/dbraw/zinc/42/37/49/794423749.db2.gz	WTFRDYUADBIFRI-JKIFEVAISA-N	1	0	366.469	1.938	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnnn3CC)C2)cn1	ZINC001104927309	794428813	/nfs/dbraw/zinc/42/88/13/794428813.db2.gz	BXFYXQIXVUFMJY-NVXWUHKLSA-N	1	0	366.469	1.562	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cc(C)n(C)n3)C2)cn1	ZINC001104927548	794434533	/nfs/dbraw/zinc/43/45/33/794434533.db2.gz	IQNKAMWTLDACAG-CRAIPNDOSA-N	1	0	365.481	1.993	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ncnn3CC)C2)cn1	ZINC001104927744	794435631	/nfs/dbraw/zinc/43/56/31/794435631.db2.gz	ROYMRALEDUMBPA-NVXWUHKLSA-N	1	0	366.469	1.562	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCC)C1	ZINC001112064516	794436676	/nfs/dbraw/zinc/43/66/76/794436676.db2.gz	HMMJQONOUQYOGH-MGPQQGTHSA-N	1	0	352.397	1.983	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC(C)C)NC(C)=O)C[C@H]1C	ZINC001104929363	794444217	/nfs/dbraw/zinc/44/42/17/794444217.db2.gz	QEGIUNUPRDDNMS-QRQLOZEOSA-N	1	0	367.534	1.814	20	30		FDEDRO
CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC[C@@H]1C[N@@H+](C)CCN1C	ZINC000329358296	794505782	/nfs/dbraw/zinc/50/57/82/794505782.db2.gz	HNBKOXMTMAHJTE-MJGOQNOKSA-N	1	0	358.486	1.725	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CCCCC(=O)N2)C[C@H]1C	ZINC001104954523	794551390	/nfs/dbraw/zinc/55/13/90/794551390.db2.gz	GMSURITUEMVHPS-KURKYZTESA-N	1	0	365.518	1.712	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)c2cc3c(cn2)nc[nH]c3=O)C[C@H]1C	ZINC001104961626	794590578	/nfs/dbraw/zinc/59/05/78/794590578.db2.gz	MNQXCMNUHLZLIF-ZIAGYGMSSA-N	1	0	355.442	1.994	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(F)F)o2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104963107	794605280	/nfs/dbraw/zinc/60/52/80/794605280.db2.gz	LUUFNNLTBDDOOI-VXGBXAGGSA-N	1	0	368.384	1.545	20	30		FDEDRO
CCc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)cc1	ZINC001104969320	794637817	/nfs/dbraw/zinc/63/78/17/794637817.db2.gz	NCCUJWNMRWTGIQ-CRAIPNDOSA-N	1	0	356.470	1.577	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000974182164	794649532	/nfs/dbraw/zinc/64/95/32/794649532.db2.gz	VRYRRFPMEHDGFV-MULDDASSSA-N	1	0	363.502	1.461	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1	ZINC000974182992	794666595	/nfs/dbraw/zinc/66/65/95/794666595.db2.gz	QAWCMNFFQFJCJP-SUFIHLRJSA-N	1	0	361.486	1.217	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c2ccccc2)C[C@H]1C	ZINC001104979087	794720626	/nfs/dbraw/zinc/72/06/26/794720626.db2.gz	MLHDXLJMHHVJQZ-ZIFCJYIRSA-N	1	0	355.482	1.902	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)COc2ccc(C)cc2)C[C@H]1C	ZINC001104983032	794724978	/nfs/dbraw/zinc/72/49/78/794724978.db2.gz	PHMYWDSJCXSUGC-QZTJIDSGSA-N	1	0	371.481	1.197	20	30		FDEDRO
C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)C[C@H]1C	ZINC001104990234	794741148	/nfs/dbraw/zinc/74/11/48/794741148.db2.gz	NIEVEYONGYZRGV-RBSFLKMASA-N	1	0	350.463	1.015	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(C)n(C)c2C)C[C@H]1C	ZINC001104993424	794752738	/nfs/dbraw/zinc/75/27/38/794752738.db2.gz	ZEEWENQTHCSZHF-RHSMWYFYSA-N	1	0	358.486	1.079	20	30		FDEDRO
CC(C)C[C@H](CNc1ccncc1C#N)NC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC001105002248	794832157	/nfs/dbraw/zinc/83/21/57/794832157.db2.gz	ZHVWUHIGFHAHTF-QGPMSJSTSA-N	1	0	359.474	1.037	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)COc2ccccc2F)C[C@H]1C	ZINC001105005180	794843724	/nfs/dbraw/zinc/84/37/24/794843724.db2.gz	GUAXTWMBKFIVFA-IAGOWNOFSA-N	1	0	362.445	1.929	20	30		FDEDRO
Cc1cc(NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c(C#N)cc1N(C)C	ZINC000417122395	794985290	/nfs/dbraw/zinc/98/52/90/794985290.db2.gz	BAISJZQPWXYRDM-HNNXBMFYSA-N	1	0	358.490	1.690	20	30		FDEDRO
CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C1)N1CCCC1=O	ZINC001105033545	795012925	/nfs/dbraw/zinc/01/29/25/795012925.db2.gz	ALWYSRLXOIOYJJ-KZNAEPCWSA-N	1	0	363.502	1.111	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2COCCN2C(C)=O)C[C@H]1C	ZINC001105034048	795013744	/nfs/dbraw/zinc/01/37/44/795013744.db2.gz	JZYIHHLVCAUJJK-WQVCFCJDSA-N	1	0	357.882	1.060	20	30		FDEDRO
C[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001105044394	795039050	/nfs/dbraw/zinc/03/90/50/795039050.db2.gz	HZENTLDZEGDYMY-ZHALLVOQSA-N	1	0	370.497	1.579	20	30		FDEDRO
Cc1ccccc1[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001105050764	795066880	/nfs/dbraw/zinc/06/68/80/795066880.db2.gz	XYQXRBQNMJEPFA-FGTMMUONSA-N	1	0	370.497	1.813	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCC(C#N)CC1	ZINC000511611841	795076728	/nfs/dbraw/zinc/07/67/28/795076728.db2.gz	NBMOPKZKKFEFOX-MAUKXSAKSA-N	1	0	354.454	1.385	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CC3CCC2CC3)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001105075920	795163210	/nfs/dbraw/zinc/16/32/10/795163210.db2.gz	ZFVNSELGSAPCCK-BNGPMPHDSA-N	1	0	360.502	1.527	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(F)s2)C[C@H]1C	ZINC001105098564	795285246	/nfs/dbraw/zinc/28/52/46/795285246.db2.gz	GSXYFOYHDUWIIY-CHWSQXEVSA-N	1	0	353.463	1.877	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)c(OC)c1	ZINC000278828572	795301374	/nfs/dbraw/zinc/30/13/74/795301374.db2.gz	IFMULHAKJZMJCZ-UZLBHIALSA-N	1	0	360.454	1.375	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)c2c(OC)ncnc2OC)C[C@H]1C	ZINC001105108751	795314235	/nfs/dbraw/zinc/31/42/35/795314235.db2.gz	POBVKDCLVWKZRM-DGCLKSJQSA-N	1	0	368.865	1.934	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)C[C@H]1C	ZINC001105111175	795321584	/nfs/dbraw/zinc/32/15/84/795321584.db2.gz	OYMMCTWRLIFQTG-KBAYOESNSA-N	1	0	365.518	1.261	20	30		FDEDRO
Cc1oc(NC(=O)C[NH2+][C@H]2CCO[C@@H]2c2cnn(C)c2C)c(C#N)c1C	ZINC000431969975	795459305	/nfs/dbraw/zinc/45/93/05/795459305.db2.gz	GSFAXHGMPQTWKZ-DOTOQJQBSA-N	1	0	357.414	1.868	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)NCCC[NH2+]C3CC3)C2=O)cc1	ZINC000418073400	795508542	/nfs/dbraw/zinc/50/85/42/795508542.db2.gz	CRVVTYVCSGDRQP-KRWDZBQOSA-N	1	0	355.442	1.100	20	30		FDEDRO
CN(CC(C)(C)C[NH3+])C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000418077024	795513229	/nfs/dbraw/zinc/51/32/29/795513229.db2.gz	KVXJRCDAQLZUIB-MRXNPFEDSA-N	1	0	357.458	1.285	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H]3CCN(C(=O)Cn4cccn4)[C@@H]3C2)c(F)c1	ZINC001075550121	795527764	/nfs/dbraw/zinc/52/77/64/795527764.db2.gz	FZWMKCZTXRLUQL-FUHWJXTLSA-N	1	0	353.401	1.627	20	30		FDEDRO
COc1cc(CNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])ccc1C#N	ZINC000418200059	795616401	/nfs/dbraw/zinc/61/64/01/795616401.db2.gz	PDBHNKQFYXXXND-INIZCTEOSA-N	1	0	373.457	1.096	20	30		FDEDRO
COc1cc(CNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])ccc1C#N	ZINC000418200062	795616506	/nfs/dbraw/zinc/61/65/06/795616506.db2.gz	PDBHNKQFYXXXND-MRXNPFEDSA-N	1	0	373.457	1.096	20	30		FDEDRO
C=CCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000651515993	795774581	/nfs/dbraw/zinc/77/45/81/795774581.db2.gz	ZOKKCRASLUHQSH-DLBZAZTESA-N	1	0	361.490	1.864	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)N[C@@H](C[NH3+])C3CCCCC3)CC2)c1	ZINC000418372266	795836344	/nfs/dbraw/zinc/83/63/44/795836344.db2.gz	YMSLEIPTBVCKFM-KRWDZBQOSA-N	1	0	356.474	1.692	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1c1ccccc1	ZINC001211657527	795881682	/nfs/dbraw/zinc/88/16/82/795881682.db2.gz	GQHJQDCVXINELV-ZWKOTPCHSA-N	1	0	368.437	1.104	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)NC[C@@H]([NH3+])c3ccccc3)CC2)n1	ZINC000418426827	795906548	/nfs/dbraw/zinc/90/65/48/795906548.db2.gz	KKCOLDHBDFOYPP-QGZVFWFLSA-N	1	0	350.426	1.485	20	30		FDEDRO
N#Cc1cc([N+](=O)[O-])ccc1NC1CC[NH+](CC(=O)N2CCCC2)CC1	ZINC000364412506	795940225	/nfs/dbraw/zinc/94/02/25/795940225.db2.gz	HGMKXHBZNLNONK-UHFFFAOYSA-N	1	0	357.414	1.965	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)[C@@H]2C1	ZINC000974443009	795946454	/nfs/dbraw/zinc/94/64/54/795946454.db2.gz	FEANYIRNZCSQLJ-ZHALLVOQSA-N	1	0	370.497	1.831	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(N3C(=O)CCCC3=O)CC2)cc1	ZINC000364415217	795947630	/nfs/dbraw/zinc/94/76/30/795947630.db2.gz	GOQPEXRTNKVRNO-QGZVFWFLSA-N	1	0	371.437	1.301	20	30		FDEDRO
CC1(CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC[NH2+]CC1	ZINC000418517239	796066134	/nfs/dbraw/zinc/06/61/34/796066134.db2.gz	KUYWMFQFVDELEW-UHFFFAOYSA-N	1	0	355.486	1.775	20	30		FDEDRO
C=C(C)Cn1c(-c2ncon2)nnc1N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000909335344	796245956	/nfs/dbraw/zinc/24/59/56/796245956.db2.gz	NKNISOVPTXGBNW-CQSZACIVSA-N	1	0	361.450	1.451	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000979855604	806563158	/nfs/dbraw/zinc/56/31/58/806563158.db2.gz	GSOOWNALDOASPD-KKFZBWNWSA-N	1	0	363.502	1.319	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1	ZINC000974578372	799836226	/nfs/dbraw/zinc/83/62/26/799836226.db2.gz	ZGKJMAYGGHBNIL-ZHALLVOQSA-N	1	0	370.497	1.689	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)CCn3ccnc3)[C@@H]2C1	ZINC000974631867	799944524	/nfs/dbraw/zinc/94/45/24/799944524.db2.gz	AXDLEVMHTSMRMP-NTDBWNAOSA-N	1	0	372.469	1.314	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnnn2CCC)C1	ZINC001026850319	799991140	/nfs/dbraw/zinc/99/11/40/799991140.db2.gz	RZYLRYIBBIGXOC-XHSDSOJGSA-N	1	0	362.478	1.002	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC2CCC2)NC(C)=O)C[C@H]1c1ccccc1	ZINC001211659437	800085438	/nfs/dbraw/zinc/08/54/38/800085438.db2.gz	KKIDEYBPKPIAEM-PWRODBHTSA-N	1	0	367.493	1.899	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@H]32)cc1	ZINC000974705746	800159319	/nfs/dbraw/zinc/15/93/19/800159319.db2.gz	KHPROMGTIJBNQG-HUYLIWGRSA-N	1	0	365.477	1.681	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3cccc(C#N)c3)C2)O1	ZINC001026916789	800176240	/nfs/dbraw/zinc/17/62/40/800176240.db2.gz	ONYODFWEAAHERA-ATZDWAIDSA-N	1	0	356.470	1.215	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1occc1CC)C2	ZINC001112523915	800392862	/nfs/dbraw/zinc/39/28/62/800392862.db2.gz	XZZKMZHKGZBPPQ-WJPUGNRLSA-N	1	0	371.481	1.812	20	30		FDEDRO
C=CC[C@]1(C(=O)N[C@@H](C)c2cccc(S(=O)(=O)NC)c2)CCC[NH2+]1	ZINC000662565553	806846721	/nfs/dbraw/zinc/84/67/21/806846721.db2.gz	DEMQELMPQGOVDW-SUMWQHHRSA-N	1	0	351.472	1.470	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@@H+](CCn2nc(C)cc2C)CC1(C)C	ZINC000975059978	800804139	/nfs/dbraw/zinc/80/41/39/800804139.db2.gz	YDXRCLLXOJWSDS-SQNIBIBYSA-N	1	0	360.502	1.918	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)CC1(C)C	ZINC000975062141	800807958	/nfs/dbraw/zinc/80/79/58/800807958.db2.gz	GDIYEOBYSVCKDE-IXDOHACOSA-N	1	0	359.470	1.303	20	30		FDEDRO
CC1(C)C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)C1	ZINC000975050095	800828875	/nfs/dbraw/zinc/82/88/75/800828875.db2.gz	TWVNQVUPCYEZBA-FGTMMUONSA-N	1	0	368.481	1.786	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nc(CC(C)C)no2)C1	ZINC001027074636	800886092	/nfs/dbraw/zinc/88/60/92/800886092.db2.gz	CXRTWILNMMFSND-OAGGEKHMSA-N	1	0	362.474	1.797	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC000975319657	801136170	/nfs/dbraw/zinc/13/61/70/801136170.db2.gz	MLJYTBGLGQNDJB-GPMSIDNRSA-N	1	0	368.481	1.372	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCC(NC(=O)C[NH+]2CCCC2)CC1	ZINC000980225259	806898667	/nfs/dbraw/zinc/89/86/67/806898667.db2.gz	FITPPYVEVMKCKC-HIEASXQVSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(C(N)=O)[nH]1)C2	ZINC001112530985	806909005	/nfs/dbraw/zinc/90/90/05/806909005.db2.gz	YGFYLHKUESKXML-SJCJKPOMSA-N	1	0	350.850	1.698	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]21	ZINC000975668840	801897579	/nfs/dbraw/zinc/89/75/79/801897579.db2.gz	RZZYWINPSGZGKW-JQFCIGGWSA-N	1	0	355.442	1.044	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3CCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)c[nH]1	ZINC000975670884	801903913	/nfs/dbraw/zinc/90/39/13/801903913.db2.gz	NYNOXVVJEFHXLZ-YOEHRIQHSA-N	1	0	355.442	1.045	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)CC1	ZINC000975700627	802061248	/nfs/dbraw/zinc/06/12/48/802061248.db2.gz	KNLCJOBATJYNKV-OALUTQOASA-N	1	0	357.498	1.581	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)[C@H](C)CC)[C@H]3C2)CC1	ZINC000975754266	802207890	/nfs/dbraw/zinc/20/78/90/802207890.db2.gz	HREVYWPAGKRBSX-AOIWGVFYSA-N	1	0	359.514	1.827	20	30		FDEDRO
CC(C)[C@H](C(=O)N1CC[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@H]2C1)[NH+](C)C	ZINC000975840297	802563075	/nfs/dbraw/zinc/56/30/75/802563075.db2.gz	KDMSUWWVBQZNKQ-RYQLBKOJSA-N	1	0	371.485	1.536	20	30		FDEDRO
C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1ccc(OCC(N)=O)cc1	ZINC000661115948	802730413	/nfs/dbraw/zinc/73/04/13/802730413.db2.gz	VTTNWDHSVKVCBC-WMZOPIPTSA-N	1	0	359.470	1.891	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]3C2)c1	ZINC000975995912	802822013	/nfs/dbraw/zinc/82/20/13/802822013.db2.gz	MSHKBCSXRMGIKG-UHOSZYNNSA-N	1	0	368.481	1.466	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)CCC[NH2+]1	ZINC000662719016	802895178	/nfs/dbraw/zinc/89/51/78/802895178.db2.gz	UYKWUAJUDPFFBN-JXFKEZNVSA-N	1	0	362.518	1.276	20	30		FDEDRO
C=CC[C@@]1(C(=O)N[C@H](C)CCNS(=O)(=O)c2ccccc2)CCC[NH2+]1	ZINC000662813373	803431328	/nfs/dbraw/zinc/43/13/28/803431328.db2.gz	ZSOJLLAUJKEUDZ-QAPCUYQASA-N	1	0	365.499	1.558	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[NH+]3CCC2CC3)c[nH]1	ZINC000976556275	803520972	/nfs/dbraw/zinc/52/09/72/803520972.db2.gz	RSWHYJWDGWIEPX-KZNAEPCWSA-N	1	0	369.469	1.385	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]21	ZINC000976572838	803541269	/nfs/dbraw/zinc/54/12/69/803541269.db2.gz	JLVZYMSECNEURF-SOMFZHDCSA-N	1	0	361.486	1.025	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2[nH]ccc2C)CC1	ZINC000976603190	803609475	/nfs/dbraw/zinc/60/94/75/803609475.db2.gz	CEQWEPARXITCEU-QZTJIDSGSA-N	1	0	370.497	1.826	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1	ZINC000976698069	803772330	/nfs/dbraw/zinc/77/23/30/803772330.db2.gz	HDWNJWBESNXGAM-FAJBIJEISA-N	1	0	363.502	1.607	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1	ZINC000423129285	814968559	/nfs/dbraw/zinc/96/85/59/814968559.db2.gz	QYSBGAZCPGGUMW-ZWKOTPCHSA-N	1	0	354.454	1.507	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2c[nH]nc2C)CC1	ZINC000976815979	803934353	/nfs/dbraw/zinc/93/43/53/803934353.db2.gz	XAURGGXBUOWMSM-QZTJIDSGSA-N	1	0	371.485	1.221	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c(OC)c1	ZINC000661610905	804287259	/nfs/dbraw/zinc/28/72/59/804287259.db2.gz	ULEQKNPMFPLDLW-KSZLIROESA-N	1	0	374.481	1.764	20	30		FDEDRO
COC[C@H](OC)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001112526096	804541574	/nfs/dbraw/zinc/54/15/74/804541574.db2.gz	SDNJHRACAXFRAX-ZJOUEHCJSA-N	1	0	371.481	1.938	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1	ZINC000662962346	804731290	/nfs/dbraw/zinc/73/12/90/804731290.db2.gz	VTEWDGMBHXSYFR-XDNAFOTISA-N	1	0	363.502	1.546	20	30		FDEDRO
Cc1cc(C#N)nc(NC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C)n1	ZINC001126129733	804774079	/nfs/dbraw/zinc/77/40/79/804774079.db2.gz	ILVMZGVIUGZQRG-BMFZPTHFSA-N	1	0	358.490	1.940	20	30		FDEDRO
COC[C@@H](OC)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccccc2C#N)C1	ZINC001112526569	804807519	/nfs/dbraw/zinc/80/75/19/804807519.db2.gz	NLQQGLYPMKIPOM-ZVDOUQERSA-N	1	0	371.481	1.938	20	30		FDEDRO
C=CC[N@@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC)C(C)(C)C	ZINC000661760344	804824107	/nfs/dbraw/zinc/82/41/07/804824107.db2.gz	RXPSUWWVWDHVPK-UHFFFAOYSA-N	1	0	355.460	1.568	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1	ZINC000423170132	804907752	/nfs/dbraw/zinc/90/77/52/804907752.db2.gz	LBTYYOFRRFIDLK-FQEVSTJZSA-N	1	0	357.454	1.564	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCN2C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC000977804571	804967293	/nfs/dbraw/zinc/96/72/93/804967293.db2.gz	GAQMHFLTEWBDHR-YQQAZPJKSA-N	1	0	357.458	1.290	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)CCN1C(=O)c2ccccc2C1=O	ZINC000178457025	805073826	/nfs/dbraw/zinc/07/38/26/805073826.db2.gz	OJZWQUZZXZWBDU-HNNXBMFYSA-N	1	0	356.422	1.950	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1	ZINC000423349414	815050529	/nfs/dbraw/zinc/05/05/29/815050529.db2.gz	WOEWEKCPQCVWFW-QZTJIDSGSA-N	1	0	365.518	1.936	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@]45C[C@H]4COC5)[C@@H]3C2)cc1C#N	ZINC000978172163	805271885	/nfs/dbraw/zinc/27/18/85/805271885.db2.gz	UEVXQGOHPBMQNY-HQMXNFIDSA-N	1	0	367.449	1.397	20	30		FDEDRO
C[C@H](COCC(=O)N1C[C@@H](c2ccccc2)[C@H](NCC#N)C1)[NH+]1CCCC1	ZINC001211678128	805311886	/nfs/dbraw/zinc/31/18/86/805311886.db2.gz	CSTMPYPYDJCWIY-YZGWKJHDSA-N	1	0	370.497	1.595	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](N(C)CC(=O)N2CCCC2)C1	ZINC001027613263	805378391	/nfs/dbraw/zinc/37/83/91/805378391.db2.gz	VEOXXGSXDAXASB-LNLFQRSKSA-N	1	0	363.502	1.513	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CN2CCCCC2=O)C1	ZINC001087431769	807206284	/nfs/dbraw/zinc/20/62/84/807206284.db2.gz	HDXZVASQOZPFKV-WOJBJXKFSA-N	1	0	367.493	1.997	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccccc2)C1	ZINC000980817583	807212988	/nfs/dbraw/zinc/21/29/88/807212988.db2.gz	NRDDAVYAFJYDBR-UHOSZYNNSA-N	1	0	353.466	1.799	20	30		FDEDRO
COC(=O)CC1([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCOCC1	ZINC000279056062	808202156	/nfs/dbraw/zinc/20/21/56/808202156.db2.gz	HYDUTYUFGIOBCA-KRWDZBQOSA-N	1	0	371.437	1.756	20	30		FDEDRO
COC(=O)CC1([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCOCC1	ZINC000279056068	808202168	/nfs/dbraw/zinc/20/21/68/808202168.db2.gz	HYDUTYUFGIOBCA-QGZVFWFLSA-N	1	0	371.437	1.756	20	30		FDEDRO
C[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC1	ZINC000981650614	808276631	/nfs/dbraw/zinc/27/66/31/808276631.db2.gz	GTWXOEUYXZJCFI-XJKSGUPXSA-N	1	0	357.458	1.243	20	30		FDEDRO
C[C@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)C[NH+]1CCN(C)CC1	ZINC000279080046	808284095	/nfs/dbraw/zinc/28/40/95/808284095.db2.gz	RCPZQVQQLMPXOK-OAHLLOKOSA-N	1	0	367.453	1.827	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccnc(N(C)C)c1	ZINC001028142834	808653528	/nfs/dbraw/zinc/65/35/28/808653528.db2.gz	RDWPWUSUXUNSJF-KSZLIROESA-N	1	0	358.486	1.819	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(CC(=O)N2CCCCCC2)CC1	ZINC000981992645	808941811	/nfs/dbraw/zinc/94/18/11/808941811.db2.gz	AFCANVRJWKYCNM-MSOLQXFVSA-N	1	0	363.502	1.514	20	30		FDEDRO
C[C@@H](O)C[NH+]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1	ZINC000279429292	808988182	/nfs/dbraw/zinc/98/81/82/808988182.db2.gz	PZEBNBVIMOFUJE-MRXNPFEDSA-N	1	0	354.458	1.357	20	30		FDEDRO
COCC1(CNC(=O)N2CCN(c3ccccc3C#N)CC2)CC[NH2+]CC1	ZINC000418637496	809094741	/nfs/dbraw/zinc/09/47/41/809094741.db2.gz	JTZVUQAVUQSWQA-UHFFFAOYSA-N	1	0	371.485	1.406	20	30		FDEDRO
C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCC1(COC)CC[NH2+]CC1	ZINC000418640917	809097148	/nfs/dbraw/zinc/09/71/48/809097148.db2.gz	PGGYBQRSPIMIDK-UHFFFAOYSA-N	1	0	365.474	1.876	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCC(=O)N2CCOCC2)C[C@H]1c1ccccc1	ZINC001211718143	809212793	/nfs/dbraw/zinc/21/27/93/809212793.db2.gz	BIWUHXHTITVUOA-RBUKOAKNSA-N	1	0	371.481	1.396	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1c1ccccc1	ZINC001211720455	809261315	/nfs/dbraw/zinc/26/13/15/809261315.db2.gz	IESBBZPPFFVIOH-DLBZAZTESA-N	1	0	370.453	1.089	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CNC(=O)C(C)(C)C)C[C@H]1c1ccccc1	ZINC001211723372	809316920	/nfs/dbraw/zinc/31/69/20/809316920.db2.gz	UWSYGPSDEDVOKJ-ZWKOTPCHSA-N	1	0	355.482	1.756	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N1CCN(C(=O)C(C)C)CC1	ZINC000261669748	809410593	/nfs/dbraw/zinc/41/05/93/809410593.db2.gz	GPZNTADSMQURPB-BBWFWOEESA-N	1	0	362.518	1.710	20	30		FDEDRO
N#Cc1ccccc1OC1CCC(NC(=O)C(=O)N2CCC[C@H]2C[NH3+])CC1	ZINC000419028018	809423977	/nfs/dbraw/zinc/42/39/77/809423977.db2.gz	DGBMMMQDEXKDLS-CGZBRXJRSA-N	1	0	370.453	1.314	20	30		FDEDRO
C=CCCCNC(=O)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1	ZINC000419045865	809456300	/nfs/dbraw/zinc/45/63/00/809456300.db2.gz	UBQQEDDMROXGKJ-UHFFFAOYSA-N	1	0	373.501	1.665	20	30		FDEDRO
[NH3+]CC1CCN(C(=O)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1	ZINC000419109431	809567984	/nfs/dbraw/zinc/56/79/84/809567984.db2.gz	HIJPTIGYHLYSFP-UHFFFAOYSA-N	1	0	367.371	1.370	20	30		FDEDRO
C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000419108924	809568578	/nfs/dbraw/zinc/56/85/78/809568578.db2.gz	GYKYWPMCPJDMRT-AWEZNQCLSA-N	1	0	367.371	1.241	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N[C@@H]1CCc2nc(C)nn2C1	ZINC000261686465	809573387	/nfs/dbraw/zinc/57/33/87/809573387.db2.gz	RGZJMYZRDJIXHV-YALNPMBYSA-N	1	0	358.490	1.414	20	30		FDEDRO
[NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000419104675	809573394	/nfs/dbraw/zinc/57/33/94/809573394.db2.gz	AYYWJXURJWGCHG-HNNXBMFYSA-N	1	0	367.371	1.513	20	30		FDEDRO
C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000419113261	809585178	/nfs/dbraw/zinc/58/51/78/809585178.db2.gz	LIRQSDJHSHZZBD-HNNXBMFYSA-N	1	0	367.371	1.384	20	30		FDEDRO
C[C@]1(C#N)CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCO1	ZINC000893739419	809692215	/nfs/dbraw/zinc/69/22/15/809692215.db2.gz	ALNGWBLQMQRCIY-RYRKJORJSA-N	1	0	350.463	1.078	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC(=O)N(C)C2)C1	ZINC001087443809	809795117	/nfs/dbraw/zinc/79/51/17/809795117.db2.gz	GYUSVVZALSZHTM-VAMGGRTRSA-N	1	0	367.493	1.852	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1	ZINC001087443507	809800572	/nfs/dbraw/zinc/80/05/72/809800572.db2.gz	PKEFTGGBMNCJBC-IEBWSBKVSA-N	1	0	364.449	1.725	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC)C1	ZINC001211736626	809922936	/nfs/dbraw/zinc/92/29/36/809922936.db2.gz	ZTSZWGKOUCTHSV-RYQLBKOJSA-N	1	0	359.470	1.298	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NC2CC2)C1	ZINC001211736603	809923140	/nfs/dbraw/zinc/92/31/40/809923140.db2.gz	ZJWDNFZLNNZUOO-AYOQOUSVSA-N	1	0	371.481	1.440	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCCO2)C[C@H]1c1ccccc1	ZINC001211736185	809925642	/nfs/dbraw/zinc/92/56/42/809925642.db2.gz	LPPATFYQDLRBTG-IPMKNSEASA-N	1	0	371.481	1.442	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000937053824	810034192	/nfs/dbraw/zinc/03/41/92/810034192.db2.gz	GZUDZSTUFDITNL-YQQAZPJKSA-N	1	0	357.458	1.290	20	30		FDEDRO
C#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1	ZINC001087454029	810041306	/nfs/dbraw/zinc/04/13/06/810041306.db2.gz	XTWCEIDGBYKGMD-CGTJXYLNSA-N	1	0	357.429	1.259	20	30		FDEDRO
C[C@]1(C#N)CN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CCO1	ZINC000894109379	810075287	/nfs/dbraw/zinc/07/52/87/810075287.db2.gz	OSARENYOUDGRPH-MJGOQNOKSA-N	1	0	358.442	1.077	20	30		FDEDRO
O=C(NCC#C[C@@H]1CCCCO1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1	ZINC000894111000	810097235	/nfs/dbraw/zinc/09/72/35/810097235.db2.gz	WNYAXDSLPOKGSJ-PMACEKPBSA-N	1	0	371.481	1.625	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@]2(C)CNC(=O)C2)C1	ZINC001087456641	810146680	/nfs/dbraw/zinc/14/66/80/810146680.db2.gz	IJNFRZUEDRKEJW-DBXWQHBBSA-N	1	0	371.456	1.649	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2c[nH]c(=O)n2C)C1	ZINC001087456672	810148445	/nfs/dbraw/zinc/14/84/45/810148445.db2.gz	KEKFWJJPQNIRLN-IAGOWNOFSA-N	1	0	370.428	1.876	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1	ZINC000411380306	810161929	/nfs/dbraw/zinc/16/19/29/810161929.db2.gz	AFEDJHNHYBGFNJ-CQSZACIVSA-N	1	0	360.458	1.882	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001087458236	810253871	/nfs/dbraw/zinc/25/38/71/810253871.db2.gz	RENKHKPOYNIEFN-ZJPYXAASSA-N	1	0	357.429	1.245	20	30		FDEDRO
C=CCCn1cc(C(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)nn1	ZINC000424707978	815423661	/nfs/dbraw/zinc/42/36/61/815423661.db2.gz	DIIKCCUYKMQEML-HNNXBMFYSA-N	1	0	359.430	1.408	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CC3CCC(F)(F)CC3)C[C@@H]2O)c1	ZINC001083392437	811207300	/nfs/dbraw/zinc/20/73/00/811207300.db2.gz	HVPPHZCVJJMCRB-CABCVRRESA-N	1	0	352.385	1.487	20	30		FDEDRO
C[NH+]=C(N[C@@H]1C[C@H]1Cc1ccccc1)N1CCN(C[C@H]2CCOC2)CC1	ZINC000261613184	811285335	/nfs/dbraw/zinc/28/53/35/811285335.db2.gz	AKWWEHBZXCREMA-VAMGGRTRSA-N	1	0	356.514	1.847	20	30		FDEDRO
Cc1nc2n(n1)C[C@@H](NC(NCc1nnc(C)n1C)=[NH+]C1CCCC1)CC2	ZINC000261657825	811293798	/nfs/dbraw/zinc/29/37/98/811293798.db2.gz	AJMCIQCECQGXGG-HNNXBMFYSA-N	1	0	371.493	1.016	20	30		FDEDRO
CC[NH+]=C(NCCc1c(C)noc1C)N1CCO[C@H](c2cnn(C)c2)C1	ZINC000261714287	811303171	/nfs/dbraw/zinc/30/31/71/811303171.db2.gz	HPZUTXPYNZRQBO-KRWDZBQOSA-N	1	0	360.462	1.606	20	30		FDEDRO
C=CCCn1cc(C(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1	ZINC000424792144	815440331	/nfs/dbraw/zinc/44/03/31/815440331.db2.gz	MDFGQLUXGVWCLA-FQEVSTJZSA-N	1	0	369.469	1.563	20	30		FDEDRO
CN(C)C(=O)CNC(N[C@@H]1CCOc2ccccc21)=[NH+]C[C@@H]1CCCCO1	ZINC000262252566	811424096	/nfs/dbraw/zinc/42/40/96/811424096.db2.gz	CEAICZBXSNCTQR-DOTOQJQBSA-N	1	0	374.485	1.703	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N[C@@H]1CCc2ccccc2C1	ZINC000262525018	811483664	/nfs/dbraw/zinc/48/36/64/811483664.db2.gz	RLFLQQKIRFQTFG-CRAIPNDOSA-N	1	0	352.486	1.871	20	30		FDEDRO
CO[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)c1cccc(Cl)c1	ZINC000262548389	811489856	/nfs/dbraw/zinc/48/98/56/811489856.db2.gz	WNEKREPVDKWLTE-MRXNPFEDSA-N	1	0	374.876	1.954	20	30		FDEDRO
C#CCOc1ccccc1CNC(=[NH2+])N1CCN(c2ncccn2)CC1	ZINC000262550116	811490330	/nfs/dbraw/zinc/49/03/30/811490330.db2.gz	XOJBKFFVSOWEFO-UHFFFAOYSA-N	1	0	350.426	1.126	20	30		FDEDRO
CC[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000262749666	811544515	/nfs/dbraw/zinc/54/45/15/811544515.db2.gz	BOIMHPJPDXRLPV-HZPDHXFCSA-N	1	0	370.505	1.337	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCC2)N[C@@H]1CCN(c2cccc(OC)c2)C1	ZINC000262789421	811552654	/nfs/dbraw/zinc/55/26/54/811552654.db2.gz	MUJAYWLSRSAHNP-CQSZACIVSA-N	1	0	369.473	1.177	20	30		FDEDRO
N#Cc1ncn(C2CC[NH+](CC(=O)N3CCc4ccccc4C3)CC2)n1	ZINC000366391001	811977722	/nfs/dbraw/zinc/97/77/22/811977722.db2.gz	KSCDWHJICRPJAG-UHFFFAOYSA-N	1	0	350.426	1.372	20	30		FDEDRO
N#CC1(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CCC1	ZINC000419623402	812046106	/nfs/dbraw/zinc/04/61/06/812046106.db2.gz	IJKADTNWFJUPGS-ZWKOTPCHSA-N	1	0	356.470	1.862	20	30		FDEDRO
C=CCC[C@H](NC(=O)C(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+])c1ccccc1	ZINC000419660492	812092272	/nfs/dbraw/zinc/09/22/72/812092272.db2.gz	CFDTXLJTCVJYST-KURKYZTESA-N	1	0	359.470	1.775	20	30		FDEDRO
N#Cc1cccc(CCNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1	ZINC000419705227	812097170	/nfs/dbraw/zinc/09/71/70/812097170.db2.gz	IRKDZSADMMAFJA-RBUKOAKNSA-N	1	0	362.433	1.170	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C	ZINC000420049928	813427708	/nfs/dbraw/zinc/42/77/08/813427708.db2.gz	YUYIKYHATXMPHO-WMLDXEAASA-N	1	0	370.453	1.302	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1	ZINC000420098634	813454895	/nfs/dbraw/zinc/45/48/95/813454895.db2.gz	LVBNACQMULCPMV-YOEHRIQHSA-N	1	0	363.408	1.727	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1	ZINC000420098628	813455221	/nfs/dbraw/zinc/45/52/21/813455221.db2.gz	LVBNACQMULCPMV-PBHICJAKSA-N	1	0	363.408	1.727	20	30		FDEDRO
C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1	ZINC000420176454	813514819	/nfs/dbraw/zinc/51/48/19/813514819.db2.gz	ZTJPPEUMXRQWHK-KSSFIOAISA-N	1	0	352.438	1.431	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1	ZINC000420191993	813544413	/nfs/dbraw/zinc/54/44/13/813544413.db2.gz	HYBCOPHHIKZXMD-UKRRQHHQSA-N	1	0	360.414	1.353	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1	ZINC000420214690	813560025	/nfs/dbraw/zinc/56/00/25/813560025.db2.gz	RLJHRDZMRZYQMF-GUDVDZBRSA-N	1	0	366.465	1.577	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1	ZINC000420220670	813565359	/nfs/dbraw/zinc/56/53/59/813565359.db2.gz	YKERXSDFWJJQHN-GUDVDZBRSA-N	1	0	368.481	1.800	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCC(C#N)CC1	ZINC000501690656	813599820	/nfs/dbraw/zinc/59/98/20/813599820.db2.gz	RIAYTIQJLBSTJX-APWZRJJASA-N	1	0	368.481	1.775	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1N1CCN(c2cncc(C#N)n2)CC1	ZINC000420606324	813745274	/nfs/dbraw/zinc/74/52/74/813745274.db2.gz	XCDYZYLENQSMLC-UHFFFAOYSA-N	1	0	352.442	1.615	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+][C@@H](CC(N)=O)C3CCOCC3)CC2)cc1	ZINC000366695413	813812968	/nfs/dbraw/zinc/81/29/68/813812968.db2.gz	YEKJHFNABNNPLZ-FQEVSTJZSA-N	1	0	370.497	1.783	20	30		FDEDRO
C[NH+](C)C1CCC(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1	ZINC000420896564	813852789	/nfs/dbraw/zinc/85/27/89/813852789.db2.gz	WLDPGNHVIVQIQB-JCYILVPMSA-N	1	0	357.458	1.989	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1	ZINC000421292798	814077146	/nfs/dbraw/zinc/07/71/46/814077146.db2.gz	BVFMUJJUWHXGTF-INIZCTEOSA-N	1	0	358.442	1.094	20	30		FDEDRO
CC(C)(CC#N)CNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1	ZINC000421520538	814180279	/nfs/dbraw/zinc/18/02/79/814180279.db2.gz	GRQHHMZSZDXVMT-UHFFFAOYSA-N	1	0	370.497	1.996	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCC[C@@H]2C(=O)NC)c(OC)c1	ZINC000502835544	814286631	/nfs/dbraw/zinc/28/66/31/814286631.db2.gz	CEIFCRCWKCFFGP-IKGGRYGDSA-N	1	0	362.470	1.668	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)NCCC[NH+]3CCCC3)C2=O)cc1	ZINC000502853689	814292781	/nfs/dbraw/zinc/29/27/81/814292781.db2.gz	WGSBJPLBGCJLPH-GOSISDBHSA-N	1	0	369.469	1.839	20	30		FDEDRO
Cc1oc(NC(=O)CN2CCC[C@H](C[NH+]3CCN(C)CC3)C2)c(C#N)c1C	ZINC000367111090	814328571	/nfs/dbraw/zinc/32/85/71/814328571.db2.gz	ROQBKNUOPRAPGS-QGZVFWFLSA-N	1	0	373.501	1.666	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NC[C@H]2COC3(CCOCC3)O2)cc1OC	ZINC000271938970	814520714	/nfs/dbraw/zinc/52/07/14/814520714.db2.gz	LBBZPDLNVUNMCW-AWEZNQCLSA-N	1	0	365.430	1.030	20	30		FDEDRO
C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)NCCCC#N)cc2)CC1	ZINC000273083433	814787243	/nfs/dbraw/zinc/78/72/43/814787243.db2.gz	HHZZZYWTWGBUCK-UHFFFAOYSA-N	1	0	371.485	1.823	20	30		FDEDRO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC1CC[NH+](CCOC)CC1	ZINC000422241777	814802706	/nfs/dbraw/zinc/80/27/06/814802706.db2.gz	SEQIZPXFNKBTMX-IBGZPJMESA-N	1	0	373.497	1.517	20	30		FDEDRO
CC[C@@H]1OCC[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000422504694	814825084	/nfs/dbraw/zinc/82/50/84/814825084.db2.gz	RAAFYZIMXXNQAS-MSOLQXFVSA-N	1	0	372.469	1.132	20	30		FDEDRO
COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1	ZINC000434720581	815716643	/nfs/dbraw/zinc/71/66/43/815716643.db2.gz	URYAPTDNJNPCFZ-RDJZCZTQSA-N	1	0	372.469	1.750	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)CCC[NH+]1CCCC1	ZINC000281550726	815764385	/nfs/dbraw/zinc/76/43/85/815764385.db2.gz	VOAVZUFFQFEPSG-OAHLLOKOSA-N	1	0	358.442	1.860	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC1CCCCC1	ZINC001167956636	815796780	/nfs/dbraw/zinc/79/67/80/815796780.db2.gz	GBMYQMITHFDFQT-HKUYNNGSSA-N	1	0	365.518	1.903	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCn2cc(Cl)cn2)C1	ZINC001028813282	815814396	/nfs/dbraw/zinc/81/43/96/815814396.db2.gz	ZEVXILZFKHZHRO-BMFZPTHFSA-N	1	0	352.866	1.566	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1	ZINC000514678504	815924017	/nfs/dbraw/zinc/92/40/17/815924017.db2.gz	SELZGYCCTMUNDV-AWEZNQCLSA-N	1	0	358.442	1.742	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc3c2ccn(C)c3=O)CC1	ZINC000505624326	815943571	/nfs/dbraw/zinc/94/35/71/815943571.db2.gz	UUPUWSVONRXOAR-UHFFFAOYSA-N	1	0	368.437	1.244	20	30		FDEDRO
C[C@H](NC(=O)c1cn(CCCC#N)c2ccccc12)C(=O)NCC[NH+](C)C	ZINC000515189170	816136676	/nfs/dbraw/zinc/13/66/76/816136676.db2.gz	AQMRLRQUUUUDAF-HNNXBMFYSA-N	1	0	369.469	1.741	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1C#N	ZINC000435835575	816199167	/nfs/dbraw/zinc/19/91/67/816199167.db2.gz	NMBAXNBQAFDIAB-CJNGLKHVSA-N	1	0	358.442	1.883	20	30		FDEDRO
C=CCOC[C@H](NC(=O)[C@H]1CCCN1Cc1ccc(F)cc1)C(=O)OC	ZINC000435933162	816253269	/nfs/dbraw/zinc/25/32/69/816253269.db2.gz	BNEUJCNZWYQIME-DLBZAZTESA-N	1	0	364.417	1.651	20	30		FDEDRO
C=CCN1CC[C@@H](N2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)OC)C2)C1=O	ZINC000425510617	816406808	/nfs/dbraw/zinc/40/68/08/816406808.db2.gz	NAHAPDHFBMNWTK-ZMSDIMECSA-N	1	0	364.392	1.940	20	30		FDEDRO
N#CC1(NC(=O)C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)CCCCC1	ZINC000425539110	816502258	/nfs/dbraw/zinc/50/22/58/816502258.db2.gz	KBMMKUUADPUISR-SFHVURJKSA-N	1	0	363.502	1.876	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)NC[C@H](C)N1CC[NH+](CC)CC1	ZINC000505823169	816527454	/nfs/dbraw/zinc/52/74/54/816527454.db2.gz	GGGLULGYKYKPOR-KRWDZBQOSA-N	1	0	372.513	1.886	20	30		FDEDRO
N#Cc1ccc([C@H](C(N)=O)N2CCC(CCC[NH+]3CCOCC3)CC2)cc1	ZINC000506006483	816974229	/nfs/dbraw/zinc/97/42/29/816974229.db2.gz	HGSWORPQGGAPDJ-HXUWFJFHSA-N	1	0	370.497	1.909	20	30		FDEDRO
C=C(C)Cn1c(C2CC2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000516958353	817129411	/nfs/dbraw/zinc/12/94/11/817129411.db2.gz	VOCYOUOTGUWVBU-UHFFFAOYSA-N	1	0	358.490	1.476	20	30		FDEDRO
C[C@H]1CN(c2ccc(C[NH2+]Cc3cnc4c(C#N)cnn4c3)cn2)CCO1	ZINC000517043958	817187518	/nfs/dbraw/zinc/18/75/18/817187518.db2.gz	DBLJFPVGMLIXCQ-AWEZNQCLSA-N	1	0	363.425	1.511	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)C(=O)N(C)[C@H](C)c1cccc(C#N)c1	ZINC000425865293	817259053	/nfs/dbraw/zinc/25/90/53/817259053.db2.gz	CPPHRQOICWTGOF-OAHLLOKOSA-N	1	0	360.458	1.162	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H](C(CC)CC)[NH+]1CCCC1	ZINC000425907184	817358356	/nfs/dbraw/zinc/35/83/56/817358356.db2.gz	BOFCIBRIDIJJPL-KSZLIROESA-N	1	0	365.518	1.711	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)[C@H](C#N)CCc3ccccc3)CC2)C1=O	ZINC000517374614	817416473	/nfs/dbraw/zinc/41/64/73/817416473.db2.gz	JVUYDSRFLQOHQG-HKUYNNGSSA-N	1	0	368.481	1.570	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2nnn(C)n2)C1	ZINC001087466986	817465974	/nfs/dbraw/zinc/46/59/74/817465974.db2.gz	YWMWQPAZWLMYMS-HZPDHXFCSA-N	1	0	358.421	1.513	20	30		FDEDRO
C[NH+](C)CCOC1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1	ZINC000506462748	817831451	/nfs/dbraw/zinc/83/14/51/817831451.db2.gz	JOQRFTRCXHYQHM-LJQANCHMSA-N	1	0	367.490	1.817	20	30		FDEDRO
Cc1nnc(CNC(=[NH+]C2CC2)N2CCN(Cc3ccccc3)CC2)n1C	ZINC000261992276	817964062	/nfs/dbraw/zinc/96/40/62/817964062.db2.gz	RORAIRILACTKEC-UHFFFAOYSA-N	1	0	367.501	1.549	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000518727528	817972559	/nfs/dbraw/zinc/97/25/59/817972559.db2.gz	UDNCDSYJHBVERV-DYVFJYSZSA-N	1	0	373.432	1.809	20	30		FDEDRO
CC(=O)Nc1cc(Br)ccc1C[NH2+]CCn1cnc(C#N)n1	ZINC000894420816	818036707	/nfs/dbraw/zinc/03/67/07/818036707.db2.gz	ZHRCBGJMMXMOLJ-UHFFFAOYSA-N	1	0	363.219	1.660	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)C(N)=O)C1	ZINC001087471221	818046474	/nfs/dbraw/zinc/04/64/74/818046474.db2.gz	UOWHYIDOLZQINX-ROUUACIJSA-N	1	0	359.470	1.811	20	30		FDEDRO
C#CCN1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1	ZINC001087471390	818079669	/nfs/dbraw/zinc/07/96/69/818079669.db2.gz	AYGROTPQCXSFDB-GIVPXCGWSA-N	1	0	369.509	1.944	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2OCCO[C@H]2C)C1	ZINC001087474750	818281069	/nfs/dbraw/zinc/28/10/69/818281069.db2.gz	XEMJCXRZJPLRMG-KNTRFNDTSA-N	1	0	374.481	1.959	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001087476010	818351099	/nfs/dbraw/zinc/35/10/99/818351099.db2.gz	OIHUYKNZBNTLSF-RDGPPVDQSA-N	1	0	369.465	1.114	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnnn2CCC)C1	ZINC000983698370	818593233	/nfs/dbraw/zinc/59/32/33/818593233.db2.gz	LOCHWHYTIVQSRQ-FPCVCCKLSA-N	1	0	362.478	1.049	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]Cc2cn(C)nn2)CC1	ZINC001029101782	818600233	/nfs/dbraw/zinc/60/02/33/818600233.db2.gz	MSHLGIWIRTUVCX-OLMNPRSZSA-N	1	0	361.490	1.513	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@@H](C)[NH2+]Cc2ncnn2C)CC1	ZINC001029156766	818953862	/nfs/dbraw/zinc/95/38/62/818953862.db2.gz	NVBOCUJRKNJLME-HFTRVMKXSA-N	1	0	361.490	1.513	20	30		FDEDRO
COc1cc(CNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)ccc1C#N	ZINC000519797187	819057434	/nfs/dbraw/zinc/05/74/34/819057434.db2.gz	QLTAEDPTAIQUQI-MRXNPFEDSA-N	1	0	372.469	1.867	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2	ZINC000415825682	819114500	/nfs/dbraw/zinc/11/45/00/819114500.db2.gz	YSHWHIMQMCPPSW-QGZVFWFLSA-N	1	0	371.481	1.958	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC[N@@H+]1C	ZINC000473890510	819145227	/nfs/dbraw/zinc/14/52/27/819145227.db2.gz	GOWIHHPONKAJKW-FHLIZLRMSA-N	1	0	354.454	1.648	20	30		FDEDRO
COc1ccc(C#N)cc1CN1C[C@@H](NC(=O)[C@@H](C)n2cccc2)[C@@H](O)C1	ZINC001083409490	819151691	/nfs/dbraw/zinc/15/16/91/819151691.db2.gz	XDMCBVLULBSQHF-OLMNPRSZSA-N	1	0	368.437	1.291	20	30		FDEDRO
CC[NH2+]CCCNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000520370500	819319967	/nfs/dbraw/zinc/31/99/67/819319967.db2.gz	SYQRTDVFVUUIGP-UHFFFAOYSA-N	1	0	372.347	1.554	20	30		FDEDRO
O=C(CN1CCn2ccnc2C1)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000328661079	819525424	/nfs/dbraw/zinc/52/54/24/819525424.db2.gz	WLQTUKCYTFGNBB-UHFFFAOYSA-N	1	0	361.490	1.690	20	30		FDEDRO
C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1cn(Cc2ccccc2)nn1	ZINC000328757858	819545332	/nfs/dbraw/zinc/54/53/32/819545332.db2.gz	VJBUBSPHKKBBGF-HNNXBMFYSA-N	1	0	372.473	1.649	20	30		FDEDRO
CCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@@H](C3CC[NH+](C)CC3)C1)CC2	ZINC000328783569	819555838	/nfs/dbraw/zinc/55/58/38/819555838.db2.gz	GLXRMUNPPOWMHE-HZPDHXFCSA-N	1	0	360.506	1.733	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)NCC[N@@H+]3CCCOCC3)CC2)o1	ZINC000328780832	819556208	/nfs/dbraw/zinc/55/62/08/819556208.db2.gz	UNRWLHPEPAYBSX-UHFFFAOYSA-N	1	0	361.446	1.750	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](C)C(=O)N2CCCC[C@H]2C)C1	ZINC000328975057	819603306	/nfs/dbraw/zinc/60/33/06/819603306.db2.gz	BFCFBUOTFNGWRR-BRWVUGGUSA-N	1	0	368.522	1.636	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CC[N@H+](C)C2)cn1	ZINC000983810022	819624001	/nfs/dbraw/zinc/62/40/01/819624001.db2.gz	XNTYUOKLXCQWRC-SUMDDJOVSA-N	1	0	368.481	1.372	20	30		FDEDRO
CC(C)(C)C(=O)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000330644343	819628369	/nfs/dbraw/zinc/62/83/69/819628369.db2.gz	KLWRJANGEBFZRS-AWEZNQCLSA-N	1	0	367.494	1.480	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1	ZINC000330811562	819644355	/nfs/dbraw/zinc/64/43/55/819644355.db2.gz	BVZDXMWODKGELY-SQGPQFPESA-N	1	0	363.550	1.530	20	30		FDEDRO
CN(C)C(=O)CCCNC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1	ZINC000330833649	819644548	/nfs/dbraw/zinc/64/45/48/819644548.db2.gz	HPAMOIZKWISPDG-UHFFFAOYSA-N	1	0	367.538	1.118	20	30		FDEDRO
Cn1ccnc1[C@H]1CN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CCN1C	ZINC000331038710	819660067	/nfs/dbraw/zinc/66/00/67/819660067.db2.gz	PAUACEASTCHYMG-CVEARBPZSA-N	1	0	364.538	1.989	20	30		FDEDRO
CC(C)CNC(=O)NC(=O)CN1CCN(C2CC[NH+](C(C)C)CC2)CC1	ZINC000331299015	819677547	/nfs/dbraw/zinc/67/75/47/819677547.db2.gz	OFDGVWRIYPUGSA-UHFFFAOYSA-N	1	0	367.538	1.163	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@H](C(N)=O)C1	ZINC000459100131	819963602	/nfs/dbraw/zinc/96/36/02/819963602.db2.gz	BUXHIALZRAGPCH-DLBZAZTESA-N	1	0	357.458	1.285	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1	ZINC000983924763	820127850	/nfs/dbraw/zinc/12/78/50/820127850.db2.gz	YLNXKMZIDSQLPP-VYDXJSESSA-N	1	0	371.485	1.585	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)[C@@H](F)CC)CC1	ZINC000983979105	820366768	/nfs/dbraw/zinc/36/67/68/820366768.db2.gz	DUQQHSNJEJOPMS-NJAFHUGGSA-N	1	0	365.493	1.823	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1	ZINC000984039776	820640522	/nfs/dbraw/zinc/64/05/22/820640522.db2.gz	XLDZFONXICYYQZ-KEYYUXOJSA-N	1	0	353.426	1.851	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000984097000	820871491	/nfs/dbraw/zinc/87/14/91/820871491.db2.gz	UKJHNSUEWLSBOD-XYJFISCASA-N	1	0	371.485	1.680	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]CC(=O)N2CCc3ccccc32)cc1	ZINC000520798595	820925015	/nfs/dbraw/zinc/92/50/15/820925015.db2.gz	YDUFOFYPTGEWJR-QGZVFWFLSA-N	1	0	351.406	1.477	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087537875	821010700	/nfs/dbraw/zinc/01/07/00/821010700.db2.gz	VXMYMJUPLRQOFG-FGTMMUONSA-N	1	0	354.454	1.554	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cncc(F)c3)[C@H]2CC)C1=O	ZINC001087539831	821066650	/nfs/dbraw/zinc/06/66/50/821066650.db2.gz	OIXZAHDIOAYSIZ-GVDBMIGSSA-N	1	0	360.433	1.590	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC[N@@H+]1C	ZINC000442152175	821070751	/nfs/dbraw/zinc/07/07/51/821070751.db2.gz	FFTDSYYJGPLJPZ-HOCLYGCPSA-N	1	0	358.442	1.907	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC[N@@H+]1C	ZINC000442167938	821074110	/nfs/dbraw/zinc/07/41/10/821074110.db2.gz	PYBXADTVKVSCDO-CMPLNLGQSA-N	1	0	366.368	1.697	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(NC(=O)C(C)C)cc2)CC1	ZINC000442287422	821122097	/nfs/dbraw/zinc/12/20/97/821122097.db2.gz	DEPZEJNBJANETL-UHFFFAOYSA-N	1	0	372.469	1.986	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(-c3nnco3)c2)CC1	ZINC000442302672	821137409	/nfs/dbraw/zinc/13/74/09/821137409.db2.gz	WIWFSDXTFBXNPQ-UHFFFAOYSA-N	1	0	355.398	1.442	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)NCC3(C#N)CCC3)cn2)CC1	ZINC000521217952	821160854	/nfs/dbraw/zinc/16/08/54/821160854.db2.gz	KJNOBUIRLXRCQT-UHFFFAOYSA-N	1	0	356.474	1.717	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1C1CCC([NH2+][C@@H]2CCCN(O)C2=O)CC1	ZINC000895159762	821213399	/nfs/dbraw/zinc/21/33/99/821213399.db2.gz	HZSMCWCLJLHIBR-SEEARECTSA-N	1	0	357.410	1.564	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H](C)n2cncn2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087546872	821277462	/nfs/dbraw/zinc/27/74/62/821277462.db2.gz	JLPKOAKVLBMAFL-YTQUADARSA-N	1	0	351.454	1.860	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)CC1	ZINC000521604559	821304068	/nfs/dbraw/zinc/30/40/68/821304068.db2.gz	IYUYCHAKTGAINP-UHFFFAOYSA-N	1	0	354.410	1.053	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cc1	ZINC000895192656	821648496	/nfs/dbraw/zinc/64/84/96/821648496.db2.gz	JWSIFALBYFHSCY-RTBURBONSA-N	1	0	357.454	1.439	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cn[nH]c(=O)c2)CC[N@@H+]1Cc1ccc(C#N)c(F)c1	ZINC001087613653	821748110	/nfs/dbraw/zinc/74/81/10/821748110.db2.gz	AZFSEZSPURBJDF-DLBZAZTESA-N	1	0	369.400	1.976	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@H]1CC	ZINC001087670945	821974881	/nfs/dbraw/zinc/97/48/81/821974881.db2.gz	LORCMFHDPFXUAE-GOEBONIOSA-N	1	0	357.458	1.880	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1	ZINC000984258310	821987286	/nfs/dbraw/zinc/98/72/86/821987286.db2.gz	XRYUTOKLNNXACQ-LNLFQRSKSA-N	1	0	363.502	1.513	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCCC3)[C@@H]2CC)cc1	ZINC001087681639	822011463	/nfs/dbraw/zinc/01/14/63/822011463.db2.gz	HDHRUGBEQREJLC-RBUKOAKNSA-N	1	0	353.466	1.873	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3c(C)cnn3C)[C@H]2CC)C1=O	ZINC001087692082	822065853	/nfs/dbraw/zinc/06/58/53/822065853.db2.gz	CDZSQMYLIUIZMV-XHSDSOJGSA-N	1	0	359.474	1.098	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cccnc3C)[C@H]2CC)C1=O	ZINC001087707440	822141928	/nfs/dbraw/zinc/14/19/28/822141928.db2.gz	UNMRKNQPYWXKNX-RCCFBDPRSA-N	1	0	356.470	1.760	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)[C@H]1CC	ZINC001087723437	822216483	/nfs/dbraw/zinc/21/64/83/822216483.db2.gz	PIWFCBLMEUICHG-XWTMOSNGSA-N	1	0	361.486	1.149	20	30		FDEDRO
N#Cc1ccc(C[NH+]2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1	ZINC000127322950	828416963	/nfs/dbraw/zinc/41/69/63/828416963.db2.gz	WPBVBMGREIXYDE-UHFFFAOYSA-N	1	0	354.454	1.494	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@]34CCC[C@H]3OCC4)C2)C1=O	ZINC000984314819	822337175	/nfs/dbraw/zinc/33/71/75/822337175.db2.gz	UFNXJRNRMOLYJZ-ZTTBQOKTSA-N	1	0	361.486	1.217	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3cscn3)[C@H]2CC)C1=O	ZINC001087751280	822363301	/nfs/dbraw/zinc/36/33/01/822363301.db2.gz	GFRPHVOXBYMMEK-XHSDSOJGSA-N	1	0	362.499	1.442	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2CC[N@H+](C[C@@H]3CC(C)(C)CO3)[C@@H]2CC)nn1	ZINC001087754247	822369158	/nfs/dbraw/zinc/36/91/58/822369158.db2.gz	VQIYYSOZVQHTCL-YQQAZPJKSA-N	1	0	361.490	1.862	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)Cc2nc[nH]n2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001087789114	822436763	/nfs/dbraw/zinc/43/67/63/822436763.db2.gz	ZOELJBFSXHKLNA-DLBZAZTESA-N	1	0	368.441	1.419	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)[C@@H]1CC	ZINC001087810435	822469556	/nfs/dbraw/zinc/46/95/56/822469556.db2.gz	ULGLFKWOVORHBD-RBUKOAKNSA-N	1	0	368.481	1.205	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)cc1	ZINC000984416351	822506903	/nfs/dbraw/zinc/50/69/03/822506903.db2.gz	RJRIRFIQHWMING-VYJAJWGXSA-N	1	0	369.465	1.594	20	30		FDEDRO
Cc1ccc(CCC[N@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)cc1	ZINC001083417920	822522441	/nfs/dbraw/zinc/52/24/41/822522441.db2.gz	JBWGOLUDXIOFQO-MOPGFXCFSA-N	1	0	352.438	1.603	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CCCN(C(=O)[C@]34C[C@H]3CCC4)C2)CC1	ZINC000984487985	822601669	/nfs/dbraw/zinc/60/16/69/822601669.db2.gz	RERVZXPWTYZXGB-XQBPLPMBSA-N	1	0	371.525	1.971	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H](C)N2CCOCC2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087851760	822603138	/nfs/dbraw/zinc/60/31/38/822603138.db2.gz	OWWOMNHVZSTNMU-FFZOFVMBSA-N	1	0	370.497	1.748	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]Cc2cn(C)nn2)C1	ZINC001088315845	828464180	/nfs/dbraw/zinc/46/41/80/828464180.db2.gz	JMFCJTDXOPJZNQ-JQHSSLGASA-N	1	0	361.490	1.657	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C4=COCCO4)C[C@@H]3C2)c(F)c1	ZINC001087874089	822669104	/nfs/dbraw/zinc/66/91/04/822669104.db2.gz	FTYFKONLLBYLRM-WBVHZDCISA-N	1	0	371.412	1.866	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1	ZINC000895614878	822674387	/nfs/dbraw/zinc/67/43/87/822674387.db2.gz	WSHHZSKNXHTYMV-CQSZACIVSA-N	1	0	357.520	1.925	20	30		FDEDRO
C#CCC1(O)CC[NH+](Cc2ccc(OCCN3CCOCC3)cc2)CC1	ZINC000895671798	822695908	/nfs/dbraw/zinc/69/59/08/822695908.db2.gz	XJKPLKDNPKKKRC-UHFFFAOYSA-N	1	0	358.482	1.748	20	30		FDEDRO
O=C(CN1CCCC1=O)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001087879423	822697333	/nfs/dbraw/zinc/69/73/33/822697333.db2.gz	OQDUAAPFRDVQEQ-UXHICEINSA-N	1	0	365.477	1.441	20	30		FDEDRO
N#Cc1c(F)cccc1N1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1	ZINC000895694281	822700827	/nfs/dbraw/zinc/70/08/27/822700827.db2.gz	JUAFHESEBXPLDG-OAHLLOKOSA-N	1	0	358.417	1.067	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC3CCCCCC3)CC[C@@H]2C1	ZINC001087909731	823759260	/nfs/dbraw/zinc/75/92/60/823759260.db2.gz	WGNLEIXPRBVSAL-BBWFWOEESA-N	1	0	360.502	1.765	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3cnnn3-c3ccccc3)CC[C@@H]2C1	ZINC001087911818	823776046	/nfs/dbraw/zinc/77/60/46/823776046.db2.gz	LUZSURUNODEYLH-BBWFWOEESA-N	1	0	364.453	1.707	20	30		FDEDRO
COC(=O)[C@@]1(C[NH2+]Cc2c(C)cc(C#N)cc2C)C[C@@H]1S(C)(=O)=O	ZINC000895986873	823904871	/nfs/dbraw/zinc/90/48/71/823904871.db2.gz	ZETYITXRNHTJLZ-DOTOQJQBSA-N	1	0	350.440	1.241	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ncccc4C)C[C@@H]3C2)C1=O	ZINC001087926357	823941825	/nfs/dbraw/zinc/94/18/25/823941825.db2.gz	DIQRXIQCROCGMJ-FGTMMUONSA-N	1	0	368.481	1.571	20	30		FDEDRO
CN1CCOC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001087940614	824036836	/nfs/dbraw/zinc/03/68/36/824036836.db2.gz	PPQAJOYVVAYZOD-QHAWAJNXSA-N	1	0	367.493	1.149	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)/C=C/c4ccc[nH]4)C[C@@H]3C2)C1=O	ZINC001087946161	824077849	/nfs/dbraw/zinc/07/78/49/824077849.db2.gz	BBMIJCXSIAREMD-GTWCRQPWSA-N	1	0	368.481	1.595	20	30		FDEDRO
O=C(CCn1ccnn1)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001087948728	824083503	/nfs/dbraw/zinc/08/35/03/824083503.db2.gz	RUDLZNGEXKCOOL-UXHICEINSA-N	1	0	363.465	1.500	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)CCn3ccnn3)C[C@@H]2C1	ZINC001087948661	824083807	/nfs/dbraw/zinc/08/38/07/824083807.db2.gz	OSVOICICXWEIQJ-MOPGFXCFSA-N	1	0	364.453	1.520	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H]3C[N@@H+](CC#Cc4ccccc4)CC[C@@H]3C2)o1	ZINC001087956957	824147904	/nfs/dbraw/zinc/14/79/04/824147904.db2.gz	QYOVYCPDZJZSHH-MOPGFXCFSA-N	1	0	364.449	1.753	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCc3ccnn3C)CC[C@@H]2C1	ZINC001087970180	824282874	/nfs/dbraw/zinc/28/28/74/824282874.db2.gz	IWDMVNFWFRZNHZ-BWPNAZKDSA-N	1	0	372.513	1.724	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3c(=O)[nH]nc(CC)c3CC)C[C@@H]2C1	ZINC001087984933	824467497	/nfs/dbraw/zinc/46/74/97/824467497.db2.gz	XMRSMLFCEMWGFW-CABCVRRESA-N	1	0	356.470	1.724	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CC[C@H]2CC[C@@H](C3OCCO3)O2)CC1	ZINC000896520383	824475451	/nfs/dbraw/zinc/47/54/51/824475451.db2.gz	IYZWTYBVVUKYPU-SJORKVTESA-N	1	0	350.459	1.291	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(C(CC)CC)C3)C[C@@H]2C1	ZINC001087985249	824521151	/nfs/dbraw/zinc/52/11/51/824521151.db2.gz	ITDZXQPZBIBPMU-KURKYZTESA-N	1	0	359.514	1.827	20	30		FDEDRO
CN1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H]1c1nc(C2CC2)no1	ZINC000329041390	824543000	/nfs/dbraw/zinc/54/30/00/824543000.db2.gz	IFEUMQBYUKCQQU-HIFRSBDPSA-N	1	0	360.462	1.386	20	30		FDEDRO
Cc1ccnc(N2CCN(C(=O)N[C@@H]3CCO[C@@]4(CCOC4)C3)CC2)c1	ZINC000329100122	824585616	/nfs/dbraw/zinc/58/56/16/824585616.db2.gz	DLQBAERZWLRMAT-APWZRJJASA-N	1	0	360.458	1.764	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2ccc(N3CCOCC3)nc2)C1	ZINC000329140513	824625092	/nfs/dbraw/zinc/62/50/92/824625092.db2.gz	SZXJGEBRTGXWIJ-ZWKOTPCHSA-N	1	0	373.501	1.748	20	30		FDEDRO
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1	ZINC000329145618	824626008	/nfs/dbraw/zinc/62/60/08/824626008.db2.gz	NULVWDBECQNLDX-APWZRJJASA-N	1	0	368.522	1.196	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C	ZINC000896569649	824631336	/nfs/dbraw/zinc/63/13/36/824631336.db2.gz	VKOBXTQFAQDLFG-SUMDDJOVSA-N	1	0	358.486	1.712	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3cc[nH]c3C)[C@H]2CC)CC1	ZINC000984744060	824684034	/nfs/dbraw/zinc/68/40/34/824684034.db2.gz	HGNDVNYKOMWCQL-RBUKOAKNSA-N	1	0	370.497	1.778	20	30		FDEDRO
Cc1noc(C(C)(C)NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)n1	ZINC000329308408	824725997	/nfs/dbraw/zinc/72/59/97/824725997.db2.gz	ZSPJBNFWAFHLFS-HUUCEWRRSA-N	1	0	365.478	1.885	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](n3cccn3)C2)CC1	ZINC000329327387	824738695	/nfs/dbraw/zinc/73/86/95/824738695.db2.gz	UOQVIPYANXHFJD-MSOLQXFVSA-N	1	0	358.490	1.212	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCCN(C(=O)N4CCCC4)C3)[C@H]2C1	ZINC000329336171	824743126	/nfs/dbraw/zinc/74/31/26/824743126.db2.gz	LOWWJJUNNGLGHO-ZACQAIPSSA-N	1	0	363.506	1.607	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)NCc1cccnc1OC1CCCC1	ZINC000329345431	824748644	/nfs/dbraw/zinc/74/86/44/824748644.db2.gz	CRYCZLBGGCDEIF-MRXNPFEDSA-N	1	0	361.490	1.652	20	30		FDEDRO
O=C(N[C@H]1CCCN(C(=O)N2CCCC2)C1)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000329361811	824755641	/nfs/dbraw/zinc/75/56/41/824755641.db2.gz	YRHWRHOTPKBQNI-DLBZAZTESA-N	1	0	361.490	1.527	20	30		FDEDRO
Cn1ncc(C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)c1C#N	ZINC000474897600	824769506	/nfs/dbraw/zinc/76/95/06/824769506.db2.gz	IGUZXIQCLLGDDE-UHFFFAOYSA-N	1	0	366.425	1.241	20	30		FDEDRO
COc1cccc(NC(=O)CN(C)C(=O)CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1	ZINC000329395005	824769620	/nfs/dbraw/zinc/76/96/20/824769620.db2.gz	VLEKLTWEVKRYAZ-WBVHZDCISA-N	1	0	374.485	1.910	20	30		FDEDRO
CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O	ZINC000329438982	824786703	/nfs/dbraw/zinc/78/67/03/824786703.db2.gz	JOXYDOBUWDKSCK-ROUUACIJSA-N	1	0	358.486	1.975	20	30		FDEDRO
N#Cc1cc(NC(=O)C2C[NH+]([C@H]3CCOC3)C2)ccc1N1CCC(O)CC1	ZINC000896704169	824809474	/nfs/dbraw/zinc/80/94/74/824809474.db2.gz	URRQMKHVYBODKI-KRWDZBQOSA-N	1	0	370.453	1.179	20	30		FDEDRO
N#Cc1cc(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)ccc1N1CCC(O)CC1	ZINC000896704170	824809494	/nfs/dbraw/zinc/80/94/94/824809494.db2.gz	URRQMKHVYBODKI-QGZVFWFLSA-N	1	0	370.453	1.179	20	30		FDEDRO
CC(C)[NH+]1CCN(C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)CC1	ZINC000329475936	824821134	/nfs/dbraw/zinc/82/11/34/824821134.db2.gz	BJAWQPWDFLEJLG-RHSMWYFYSA-N	1	0	362.478	1.022	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(=O)[nH]c4ncn(C)c43)C[C@@H]2C1	ZINC001087989906	824931681	/nfs/dbraw/zinc/93/16/81/824931681.db2.gz	BVHQMJVCNSESBU-KGLIPLIRSA-N	1	0	353.426	1.091	20	30		FDEDRO
Cn1ncc2c1CCC[C@@H]2NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000329621870	825039863	/nfs/dbraw/zinc/03/98/63/825039863.db2.gz	UMGDBZANCHAPRO-YOEHRIQHSA-N	1	0	361.490	1.802	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3c3ccnn3CC)C[C@@H]2C1	ZINC001088000054	825059156	/nfs/dbraw/zinc/05/91/56/825059156.db2.gz	NSGGQMLMDJQOIS-SFNKJDCFSA-N	1	0	356.470	1.394	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCO[C@H]3c3cnn(C)c3)C[C@@H]2C1	ZINC001087998503	825079848	/nfs/dbraw/zinc/07/98/48/825079848.db2.gz	LMNCUBZMXHRJLC-MDNKFWRPSA-N	1	0	370.497	1.691	20	30		FDEDRO
CC(C)(C(N)=O)C(=O)N1C[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)CC[C@@H]2C1	ZINC001088001612	825084531	/nfs/dbraw/zinc/08/45/31/825084531.db2.gz	UDGAEQATHWIQLI-SJORKVTESA-N	1	0	371.456	1.469	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCCC(=O)N4)C[C@@H]3C2)cc1	ZINC001088004121	825127249	/nfs/dbraw/zinc/12/72/49/825127249.db2.gz	JKLNHJSLUKNNIN-CEXWTWQISA-N	1	0	366.465	1.507	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)COC2CCOCC2)C[C@H]1C(F)(F)F	ZINC001112173815	825310605	/nfs/dbraw/zinc/31/06/05/825310605.db2.gz	PVVZLPODXXJWEA-ZIAGYGMSSA-N	1	0	350.381	1.737	20	30		FDEDRO
Cc1ccc(N2CCC[C@H](NC(=O)NCC[N@H+]3CCC[C@@H](C)C3)C2)nn1	ZINC000329698334	825325395	/nfs/dbraw/zinc/32/53/95/825325395.db2.gz	YUUIPRDURYCLPH-WBVHZDCISA-N	1	0	360.506	1.989	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC(=O)NC3)C[C@@H]2C1	ZINC001088022727	825353948	/nfs/dbraw/zinc/35/39/48/825353948.db2.gz	WWLMSBPOXYZCQA-UHOSZYNNSA-N	1	0	366.465	1.365	20	30		FDEDRO
Cc1cnn(C[C@@H]2CN(C([O-])=[NH+]C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCO2)c1	ZINC000329793474	825459317	/nfs/dbraw/zinc/45/93/17/825459317.db2.gz	BBVSGPSRXXTAQY-FBVQUNGASA-N	1	0	361.490	1.822	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3cccc4c3OCC(=O)N4)C2)CC1	ZINC000329795867	825460191	/nfs/dbraw/zinc/46/01/91/825460191.db2.gz	WQGRHSDYBAYWRH-CQSZACIVSA-N	1	0	373.457	1.924	20	30		FDEDRO
O=C(NCc1cnc(N2CCOCC2)c(F)c1)N[C@H]1CC[N@@H+](C2CC2)C1	ZINC000329817582	825479212	/nfs/dbraw/zinc/47/92/12/825479212.db2.gz	OKHLFQPZMUVCHR-AWEZNQCLSA-N	1	0	363.437	1.298	20	30		FDEDRO
[O-]C(N[C@H]1CCc2c[nH]nc2C1)=[NH+]C1CC[NH+](Cc2ccncc2)CC1	ZINC000329826306	825487363	/nfs/dbraw/zinc/48/73/63/825487363.db2.gz	IQJZMUHVIOQMKR-KRWDZBQOSA-N	1	0	354.458	1.830	20	30		FDEDRO
CC[NH+]1CCN(c2cccc(NC(=O)N3CCN4C(=O)CC[C@H]4C3)c2)CC1	ZINC000329911574	825543201	/nfs/dbraw/zinc/54/32/01/825543201.db2.gz	ARQPOLLLCTVLCZ-SFHVURJKSA-N	1	0	371.485	1.681	20	30		FDEDRO
Cn1ccnc1[C@@H]1CN(CC(=O)NC2CC[NH+](C3CC3)CC2)CCN1C	ZINC000329964825	825569660	/nfs/dbraw/zinc/56/96/60/825569660.db2.gz	USPMGEPYVHEHEI-KRWDZBQOSA-N	1	0	360.506	1.292	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)N3CC=C(COC)CC3)cn2)CC1	ZINC000330066129	825617989	/nfs/dbraw/zinc/61/79/89/825617989.db2.gz	DOFBHJOHFHMAGX-UHFFFAOYSA-N	1	0	373.501	1.916	20	30		FDEDRO
CC(=O)N1CCN(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)[C@H](C)C1	ZINC000330087718	825627429	/nfs/dbraw/zinc/62/74/29/825627429.db2.gz	NMENWTSWBFMRSG-OAHLLOKOSA-N	1	0	365.522	1.012	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cncc(-n4ccnn4)c3)C[C@@H]2C1	ZINC001088052930	825638107	/nfs/dbraw/zinc/63/81/07/825638107.db2.gz	NKCNEOJFQFWNAE-WBVHZDCISA-N	1	0	350.426	1.080	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N[C@@H]1CCCN(c2ncccn2)C1	ZINC000262349897	825693543	/nfs/dbraw/zinc/69/35/43/825693543.db2.gz	FAEIPONSDAYMDF-TWMKSMIVSA-N	1	0	372.517	1.814	20	30		FDEDRO
O=C(c1csnn1)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001088056755	825703567	/nfs/dbraw/zinc/70/35/67/825703567.db2.gz	PBWLCOSKVCYDKP-SJORKVTESA-N	1	0	352.463	1.984	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)N1CC[NH+](C2CCC2)CC1	ZINC000330249498	825765752	/nfs/dbraw/zinc/76/57/52/825765752.db2.gz	ZWLDEGYBEHXNFL-RTBURBONSA-N	1	0	364.534	1.838	20	30		FDEDRO
N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCNC4=O)C[C@@H]3C2)c1	ZINC001088065036	825789019	/nfs/dbraw/zinc/78/90/19/825789019.db2.gz	FPFOJEGUFLXNJP-PVAVHDDUSA-N	1	0	370.428	1.114	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCNC4=O)C[C@@H]3C2)s1	ZINC001088065135	825789202	/nfs/dbraw/zinc/78/92/02/825789202.db2.gz	JJWMAZLVSXMVKV-WWGRRREGSA-N	1	0	358.467	1.036	20	30		FDEDRO
Cn1c(C(=O)N2C[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)CC[C@@H]3C2)c[nH]c1=O	ZINC001088066051	825798744	/nfs/dbraw/zinc/79/87/44/825798744.db2.gz	UAXXRUODFATJOX-SJORKVTESA-N	1	0	365.437	1.591	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1cccnc1N1CC[NH+](C)CC1	ZINC000281338145	825941069	/nfs/dbraw/zinc/94/10/69/825941069.db2.gz	CXBFQAFRNCNJFV-SJLPKXTDSA-N	1	0	373.501	1.614	20	30		FDEDRO
N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4[C@@H]5COC[C@@H]54)C[C@@H]3C2)c1	ZINC001088073237	825974714	/nfs/dbraw/zinc/97/47/14/825974714.db2.gz	SHHBBQCZCJMPFI-RFSOPEBBSA-N	1	0	369.440	1.870	20	30		FDEDRO
CN1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4C#N)CC[C@@H]3C2)C1=O	ZINC001088074235	825987995	/nfs/dbraw/zinc/98/79/95/825987995.db2.gz	GNBISTUGEVYMGW-QYZOEREBSA-N	1	0	366.465	1.317	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@@H]1CC	ZINC000985015528	826127100	/nfs/dbraw/zinc/12/71/00/826127100.db2.gz	BGKPCHCLQSTQMT-YESZJQIVSA-N	1	0	358.486	1.735	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)CC(C)(F)F)C[C@@H]3C2)C1=O	ZINC001088095376	826358089	/nfs/dbraw/zinc/35/80/89/826358089.db2.gz	KXYMGTOVJCGMBY-ILXRZTDVSA-N	1	0	355.429	1.599	20	30		FDEDRO
C[NH+]=C(N[C@@H]1C[C@H]1C1CCCCC1)N1CCN(CC(=O)NC(C)C)CC1	ZINC000262404528	826376787	/nfs/dbraw/zinc/37/67/87/826376787.db2.gz	OGEOFGNHTRBABE-ZWKOTPCHSA-N	1	0	363.550	1.673	20	30		FDEDRO
C[C@@]1(C(=O)N2C[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)CC[C@@H]3C2)CCNC1=O	ZINC001088104039	826408534	/nfs/dbraw/zinc/40/85/34/826408534.db2.gz	RHNQQAVZAMNQPL-LVCYWYKZSA-N	1	0	366.465	1.365	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@H]3C2)cc1F	ZINC001088108104	826424934	/nfs/dbraw/zinc/42/49/34/826424934.db2.gz	FZUVDBSSVDEBQC-TWMKSMIVSA-N	1	0	370.428	1.099	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]CC3(n4cc(Br)cn4)CC3)cnc12	ZINC000896911948	826461958	/nfs/dbraw/zinc/46/19/58/826461958.db2.gz	JEOSROQCSIESNQ-UHFFFAOYSA-N	1	0	372.230	1.839	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(S(C)(=O)=O)o3)C[C@@H]2C1	ZINC001088126568	826530422	/nfs/dbraw/zinc/53/04/22/826530422.db2.gz	LJMZLNGWVLZEGC-KGLIPLIRSA-N	1	0	350.440	1.100	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4conc4CC)CC[C@@H]3C2)nn1	ZINC001088133098	826571676	/nfs/dbraw/zinc/57/16/76/826571676.db2.gz	RMSKYZOFTFTZPP-CABCVRRESA-N	1	0	370.457	1.609	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3[nH]ncc3Br)C[C@@H]2C1	ZINC001088143102	826688798	/nfs/dbraw/zinc/68/87/98/826688798.db2.gz	UGDXLFKWHVCPIV-NEPJUHHUSA-N	1	0	351.248	1.589	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3NC(=O)c4ccccc43)C[C@@H]2C1	ZINC001088147019	826736683	/nfs/dbraw/zinc/73/66/83/826736683.db2.gz	GRPWUALCEMRHSR-JTDSTZFVSA-N	1	0	351.450	1.665	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2CC)cn1	ZINC000985209901	826930811	/nfs/dbraw/zinc/93/08/11/826930811.db2.gz	MJPIIZBUQNWJAX-DQEVTTJGSA-N	1	0	368.481	1.512	20	30		FDEDRO
C[NH+]=C(N[C@@H]1C[C@@H]1Cc1ccccc1)N1CC[C@H](CN2CCOCC2)C1	ZINC000262445280	826945717	/nfs/dbraw/zinc/94/57/17/826945717.db2.gz	VDNFTHUJIVPWML-HSALFYBXSA-N	1	0	356.514	1.847	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[NH+](C)C	ZINC000453956926	833137917	/nfs/dbraw/zinc/13/79/17/833137917.db2.gz	PBEJCUSPKGGXBL-JTQLQIEISA-N	1	0	372.347	1.504	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CNC(=O)c2c(F)cccc2Cl)CC1	ZINC000928654191	827038551	/nfs/dbraw/zinc/03/85/51/827038551.db2.gz	QPWNDHKCNSNNOC-UHFFFAOYSA-N	1	0	351.809	1.423	20	30		FDEDRO
COCCOCc1cc(C#N)ccc1N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000897220481	827169778	/nfs/dbraw/zinc/16/97/78/827169778.db2.gz	WRLWTGKOSNOCKU-WOJBJXKFSA-N	1	0	359.470	1.757	20	30		FDEDRO
N#Cc1cc(Br)cnc1N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO	ZINC000897215908	827172387	/nfs/dbraw/zinc/17/23/87/827172387.db2.gz	DRIRDTPFXWPUBN-KGLIPLIRSA-N	1	0	351.248	1.751	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2cncc(C#N)n2)CC[N@@H+]1C	ZINC001059515603	827185254	/nfs/dbraw/zinc/18/52/54/827185254.db2.gz	IJWXJSGMVIJKAQ-HMGCCCKFSA-N	1	0	368.485	1.695	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+]([C@H]4CCCN(C)C4=O)CC[C@@H]3C2)nc1	ZINC001088174410	827220656	/nfs/dbraw/zinc/22/06/56/827220656.db2.gz	VMNQEQJNZZPJOB-AOIWGVFYSA-N	1	0	366.465	1.078	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4cnc(C)o4)CC[C@@H]3C2)cn1	ZINC001088175291	827225332	/nfs/dbraw/zinc/22/53/32/827225332.db2.gz	ONDZMYGWNPUUSE-SJORKVTESA-N	1	0	350.422	1.953	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c(cn3)nc[nH]c4=O)C[C@@H]2C1	ZINC001088185852	827324376	/nfs/dbraw/zinc/32/43/76/827324376.db2.gz	WNMCYXOCCQKNFJ-KGLIPLIRSA-N	1	0	353.426	1.700	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCC[NH+]2CCCC2)cc1	ZINC000523024939	827431560	/nfs/dbraw/zinc/43/15/60/827431560.db2.gz	FQBTYSBSNOWUCM-UHFFFAOYSA-N	1	0	373.457	1.535	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4cc(C)on4)C[C@H]3C2)CC1	ZINC001088212004	827492997	/nfs/dbraw/zinc/49/29/97/827492997.db2.gz	KCGVJFSJJQTIRG-MOPGFXCFSA-N	1	0	370.497	1.609	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4ccnc4)C[C@@H]3C2)cc1F	ZINC001088219708	827539534	/nfs/dbraw/zinc/53/95/34/827539534.db2.gz	RESWMRLKAJIKTO-MSOLQXFVSA-N	1	0	367.428	1.874	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccnc(-n4cncn4)c3)C[C@@H]2C1	ZINC001088220019	827544825	/nfs/dbraw/zinc/54/48/25/827544825.db2.gz	HXAVYBMSGXHNHA-SJORKVTESA-N	1	0	350.426	1.080	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC2)C1	ZINC001088233880	827597769	/nfs/dbraw/zinc/59/77/69/827597769.db2.gz	CAVDDWACUBQWFX-IPMKNSEASA-N	1	0	370.497	1.866	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC2)C1	ZINC001088235147	827604239	/nfs/dbraw/zinc/60/42/39/827604239.db2.gz	LAIOFOCNGPZXLT-KZNAEPCWSA-N	1	0	356.470	1.476	20	30		FDEDRO
C[NH2+]C[C@H]1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000418014961	827723562	/nfs/dbraw/zinc/72/35/62/827723562.db2.gz	VKJVIZBXRWINDR-AEFFLSMTSA-N	1	0	369.469	1.695	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000508483986	827735286	/nfs/dbraw/zinc/73/52/86/827735286.db2.gz	KUAPMIGEKKRBSR-SFHVURJKSA-N	1	0	369.469	1.695	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CN(C(=O)C3(S(C)(=O)=O)CCC3)C[C@]2(C)C1	ZINC001101412544	827824026	/nfs/dbraw/zinc/82/40/26/827824026.db2.gz	SEYMGZDCVVRHRC-WBVHZDCISA-N	1	0	354.516	1.700	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCCCNC(=O)c2ccccc2)cc1OC	ZINC000303978318	827950685	/nfs/dbraw/zinc/95/06/85/827950685.db2.gz	MFRAZWWATAICRJ-UHFFFAOYSA-N	1	0	370.453	1.928	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2cccc(C#N)c2)C1	ZINC001029757580	827996326	/nfs/dbraw/zinc/99/63/26/827996326.db2.gz	DNDDCXZMHUWQJN-IPELMVKDSA-N	1	0	357.454	1.642	20	30		FDEDRO
N#Cc1ccccc1OCC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000440525031	828179963	/nfs/dbraw/zinc/17/99/63/828179963.db2.gz	UOYIKSKRLSQPDS-OAQYLSRUSA-N	1	0	365.433	1.690	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)C[C@H]1C(F)(F)F	ZINC001112194223	829252179	/nfs/dbraw/zinc/25/21/79/829252179.db2.gz	SSMBYDXZNHTBQQ-GMTAPVOTSA-N	1	0	350.385	1.234	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2ccc(-n3nnnc3C)cc2F)CC1	ZINC000448924641	829301144	/nfs/dbraw/zinc/30/11/44/829301144.db2.gz	ZDNDNPLULHWUDP-UHFFFAOYSA-N	1	0	358.421	1.880	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1nnn(-c2cnn(C)c2)c1C)C(C)C	ZINC000448973847	829318637	/nfs/dbraw/zinc/31/86/37/829318637.db2.gz	GKLZTMDIJUPMIG-KRWDZBQOSA-N	1	0	371.489	1.738	20	30		FDEDRO
CCCCNC(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2C#N)C1	ZINC000528365627	829372952	/nfs/dbraw/zinc/37/29/52/829372952.db2.gz	LPWXEGDESCRVKC-MSOLQXFVSA-N	1	0	359.470	1.926	20	30		FDEDRO
CCCC(=O)NC[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1	ZINC000528369654	829374241	/nfs/dbraw/zinc/37/42/41/829374241.db2.gz	WWBXOANDILQABO-FUHWJXTLSA-N	1	0	359.470	1.926	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1	ZINC000449240259	829430545	/nfs/dbraw/zinc/43/05/45/829430545.db2.gz	MPWXAGGVALOBMS-INIZCTEOSA-N	1	0	355.442	1.867	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1	ZINC000528485198	829430579	/nfs/dbraw/zinc/43/05/79/829430579.db2.gz	AWRKQUZTHBUHPL-PKOBYXMFSA-N	1	0	359.470	1.342	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCO[C@H]1C(=C)C	ZINC001168109711	829524784	/nfs/dbraw/zinc/52/47/84/829524784.db2.gz	FNQOUCSFSREJQH-SQNIBIBYSA-N	1	0	365.518	1.877	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+][C@H]1CCN(c2ccccc2)C1=O	ZINC001168110507	829554888	/nfs/dbraw/zinc/55/48/88/829554888.db2.gz	XPQXTFCTGULRNL-FHWLQOOXSA-N	1	0	371.481	1.869	20	30		FDEDRO
Cn1c(C#N)ccc1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1	ZINC000450064605	829790060	/nfs/dbraw/zinc/79/00/60/829790060.db2.gz	ZYZMCTTUDKKANI-UHFFFAOYSA-N	1	0	359.474	1.253	20	30		FDEDRO
C=CCC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H]3CC[C@@H](C)O3)CC2)CC1	ZINC000985828434	829793536	/nfs/dbraw/zinc/79/35/36/829793536.db2.gz	VITUIRXUZUJCEP-IAGOWNOFSA-N	1	0	364.490	1.012	20	30		FDEDRO
C=CCC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@]34C[C@H]3CCC4)CC2)CC1	ZINC000985830444	829829848	/nfs/dbraw/zinc/82/98/48/829829848.db2.gz	PMVYJQZLCIPITQ-YLJYHZDGSA-N	1	0	360.502	1.635	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1	ZINC000282027642	829937142	/nfs/dbraw/zinc/93/71/42/829937142.db2.gz	FIPQTNNJZKKFFJ-RBUKOAKNSA-N	1	0	359.470	1.342	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cc(OC)ccc2OC)[C@@H](O)C1	ZINC001083458431	837404973	/nfs/dbraw/zinc/40/49/73/837404973.db2.gz	NMWXYDBWZXOKFI-HPBDAGMYSA-N	1	0	360.454	1.545	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C1	ZINC000985897015	830027243	/nfs/dbraw/zinc/02/72/43/830027243.db2.gz	ZGQAACYEHHYKEK-UAGQMJEPSA-N	1	0	369.469	1.291	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cnccn2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088450871	830307581	/nfs/dbraw/zinc/30/75/81/830307581.db2.gz	IQHVQWABHQOIRI-PBHICJAKSA-N	1	0	351.410	1.772	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)CC1	ZINC000451598482	830404534	/nfs/dbraw/zinc/40/45/34/830404534.db2.gz	OQNRDLWSOQMCSX-CMKODMSKSA-N	1	0	366.550	1.557	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F	ZINC000451597128	830404804	/nfs/dbraw/zinc/40/48/04/830404804.db2.gz	HFCWPAJGOWJJPJ-NDMJEZRESA-N	1	0	371.359	1.480	20	30		FDEDRO
COC(=O)c1n[nH]c2c1CN(CCC(=O)Nc1ccccc1C#N)CC2	ZINC000451741759	830433046	/nfs/dbraw/zinc/43/30/46/830433046.db2.gz	DAGGOBDBGPAZIV-UHFFFAOYSA-N	1	0	353.382	1.455	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H]1COCC1(C)C	ZINC000451825175	830451802	/nfs/dbraw/zinc/45/18/02/830451802.db2.gz	NQVSLCHPXBYMKM-MRXNPFEDSA-N	1	0	362.474	1.966	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@@H]([NH2+]C[C@@H]2CCCN2c2cccnn2)C1=O	ZINC000530961794	830491440	/nfs/dbraw/zinc/49/14/40/830491440.db2.gz	BVMSVTAHHHDJKK-LSDHHAIUSA-N	1	0	368.466	1.774	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000375282540	830505377	/nfs/dbraw/zinc/50/53/77/830505377.db2.gz	RUWSAYBLVIPVCK-GZXXGVPQSA-N	1	0	360.502	1.953	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)ccc1C#N	ZINC000453694508	831009795	/nfs/dbraw/zinc/00/97/95/831009795.db2.gz	VVJKDBKEDJDEII-UHFFFAOYSA-N	1	0	357.458	1.781	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)c1	ZINC000453736939	831049939	/nfs/dbraw/zinc/04/99/39/831049939.db2.gz	MAIQDFQKVMBKQN-HNNXBMFYSA-N	1	0	370.453	1.517	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)ccc1C#N	ZINC000453763992	831057951	/nfs/dbraw/zinc/05/79/51/831057951.db2.gz	OQWDPYDRMINMDX-WOSRLPQWSA-N	1	0	355.442	1.389	20	30		FDEDRO
C[NH+]=C(NCCNC(=O)c1ccc(O)cc1)N1CCC[C@@]2(CCCOC2)C1	ZINC000262759457	831299334	/nfs/dbraw/zinc/29/93/34/831299334.db2.gz	CRZPAWVXBPRTNE-HXUWFJFHSA-N	1	0	374.485	1.590	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)c4ccc[nH]4)CC[C@@H]3C2)CC1	ZINC000986246341	831357886	/nfs/dbraw/zinc/35/78/86/831357886.db2.gz	RGNPRJMPDNVJTE-MSOLQXFVSA-N	1	0	368.481	1.280	20	30		FDEDRO
Cc1c(C(=O)N2C[C@H]3CCN(C(=O)[C@@H](C)C#N)C[C@H]3C2)ccc2c[nH+]cn21	ZINC000986350672	831527306	/nfs/dbraw/zinc/52/73/06/831527306.db2.gz	DNFZYILKZBQXCM-IMJJTQAJSA-N	1	0	365.437	1.723	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](CCNC(=O)C[NH+]2CCCC2)C1	ZINC001059724893	831838376	/nfs/dbraw/zinc/83/83/76/831838376.db2.gz	CFHKLHFUFTVFJG-LNLFQRSKSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)CCC)C[C@H]1C(F)(F)F	ZINC001112207780	831942852	/nfs/dbraw/zinc/94/28/52/831942852.db2.gz	FNERUUBLJKUBQO-VXGBXAGGSA-N	1	0	356.410	1.366	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(CC)CCO2)C[C@H]1C(F)(F)F	ZINC001112207813	831945216	/nfs/dbraw/zinc/94/52/16/831945216.db2.gz	IAXQZWTZMBHAEL-KFWWJZLASA-N	1	0	363.424	1.652	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)[C@@H](C)C#N)C[C@H]3C2)CC1	ZINC000986603259	832037340	/nfs/dbraw/zinc/03/73/40/832037340.db2.gz	HLGMNYAOWVJJCN-JQHSSLGASA-N	1	0	360.502	1.573	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCCOCC)C[C@H]1C(F)(F)F	ZINC001112211119	832038196	/nfs/dbraw/zinc/03/81/96/832038196.db2.gz	XVYLFPOCOMSKHZ-BFHYXJOUSA-N	1	0	350.381	1.430	20	30		FDEDRO
C#CCC1(C(=O)NCC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CCC1	ZINC001059731724	832040713	/nfs/dbraw/zinc/04/07/13/832040713.db2.gz	ANTABLMOQSZDQG-KZNAEPCWSA-N	1	0	359.514	1.875	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1	ZINC000986619414	832094583	/nfs/dbraw/zinc/09/45/83/832094583.db2.gz	JQQIONJSUYQCRL-UWVAXJGDSA-N	1	0	359.514	1.991	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)N2C[C@H]3CCN(C(=O)C#CC4CC4)C[C@H]3C2)C1	ZINC000986684183	832220126	/nfs/dbraw/zinc/22/01/26/832220126.db2.gz	RBSKZKWEWJAJNS-MSOLQXFVSA-N	1	0	357.498	1.439	20	30		FDEDRO
C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1	ZINC000986840490	832286474	/nfs/dbraw/zinc/28/64/74/832286474.db2.gz	HBNUVULSMUNQBJ-JJRVBVJISA-N	1	0	371.485	1.583	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@@H+](C)[C@@H]2CCN(CC)C2=O)CC1	ZINC001029998310	832348254	/nfs/dbraw/zinc/34/82/54/832348254.db2.gz	PZPIAEIIFMEPDE-KURKYZTESA-N	1	0	363.502	1.369	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1ccc2nonc2c1	ZINC001088529308	832453883	/nfs/dbraw/zinc/45/38/83/832453883.db2.gz	PPWLSIHDVDCCSS-RISCZKNCSA-N	1	0	350.382	1.815	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)C(C)=C3CCC3)[C@H]2C)CC1	ZINC000987887763	833765079	/nfs/dbraw/zinc/76/50/79/833765079.db2.gz	DMRBGTZHUBXSPZ-APWZRJJASA-N	1	0	357.498	1.938	20	30		FDEDRO
C[C@H]1CC[N@H+](CCNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1	ZINC000897435458	833789840	/nfs/dbraw/zinc/78/98/40/833789840.db2.gz	MJHHOJJFNYGXHM-PKOBYXMFSA-N	1	0	355.486	1.748	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CN(C)C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000988032227	833903403	/nfs/dbraw/zinc/90/34/03/833903403.db2.gz	QFXFYXMEAXPMHE-QILLFSRXSA-N	1	0	371.485	1.537	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1CC[C@H](CN(C)C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1	ZINC000988186510	834210392	/nfs/dbraw/zinc/21/03/92/834210392.db2.gz	ZKIWYUROYHJIFK-BRWVUGGUSA-N	1	0	365.518	1.615	20	30		FDEDRO
C=CCOc1c(Br)cc(C=NNC2=NCCN2)cc1OC	ZINC000841659209	834267691	/nfs/dbraw/zinc/26/76/91/834267691.db2.gz	NPLSBHJOWOXZQD-UHFFFAOYSA-N	1	0	353.220	1.905	20	30		FDEDRO
CCOCCCC(=O)N[C@@H]1CN(Cc2cc(C#N)ccc2F)C[C@H]1OC	ZINC001211921147	834898213	/nfs/dbraw/zinc/89/82/13/834898213.db2.gz	XMJLNGZAKSGMLA-QZTJIDSGSA-N	1	0	363.433	1.829	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCc2nncn2CC1	ZINC000888222618	835192455	/nfs/dbraw/zinc/19/24/55/835192455.db2.gz	NCVGALRJZYYKLT-SFHVURJKSA-N	1	0	366.469	1.693	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H](C)C(=O)NCCc2ccccc2)CC1	ZINC000454544461	835551314	/nfs/dbraw/zinc/55/13/14/835551314.db2.gz	MLWFNGRMVATVQF-MRXNPFEDSA-N	1	0	358.486	1.683	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3ccc(C)n3C)[C@@H]2C)CC1	ZINC000988506026	835656744	/nfs/dbraw/zinc/65/67/44/835656744.db2.gz	IUMGYZBBCNYVGM-AEFFLSMTSA-N	1	0	370.497	1.398	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)/C=C\c3ccc[nH]3)[C@@H]2C)CC1	ZINC000988505980	835656886	/nfs/dbraw/zinc/65/68/86/835656886.db2.gz	GYWBULWWWIYNPR-VAQJZUQRSA-N	1	0	368.481	1.479	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)C3CC4(CC4)C3)[C@@H]2C)CC1	ZINC000988506250	835657335	/nfs/dbraw/zinc/65/73/35/835657335.db2.gz	KEXMMTZPSDECTC-QAPCUYQASA-N	1	0	357.498	1.627	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3cncs3)[C@@H]2C)CC1	ZINC000988506443	835658322	/nfs/dbraw/zinc/65/83/22/835658322.db2.gz	LZFBGPVNCPQVET-HIFRSBDPSA-N	1	0	360.483	1.208	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H]3C[C@@H]3C(F)F)[C@@H]2C)CC1	ZINC000988506778	835659300	/nfs/dbraw/zinc/65/93/00/835659300.db2.gz	PLMAOYJDIVXMGL-OEAJRASXSA-N	1	0	367.440	1.338	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)Cc3occc3C)[C@@H]2C)CC1	ZINC000988506828	835659891	/nfs/dbraw/zinc/65/98/91/835659891.db2.gz	QESYLQPENIGEQO-AEFFLSMTSA-N	1	0	371.481	1.581	20	30		FDEDRO
N#Cc1cc(CN2C[C@@H]3CCN(C(=O)[C@@H]4CCCNC4=O)[C@@H]3C2)ccc1F	ZINC001075910889	835842441	/nfs/dbraw/zinc/84/24/41/835842441.db2.gz	PKLNRJRPXYZRFP-YXJHDRRASA-N	1	0	370.428	1.256	20	30		FDEDRO
COC[C@@](C)(O)CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000455197192	835942704	/nfs/dbraw/zinc/94/27/04/835942704.db2.gz	IMCOUHHZBNGIJJ-FQEVSTJZSA-N	1	0	374.485	1.563	20	30		FDEDRO
CC(C)(Cc1ccc(C#N)cc1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O	ZINC000455556568	836167305	/nfs/dbraw/zinc/16/73/05/836167305.db2.gz	QCRVKIXFDMLWNM-KRWDZBQOSA-N	1	0	356.470	1.583	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1(C)C)N1CC[C@H](C)[C@H](n2ccnc2)C1	ZINC000179227415	836767135	/nfs/dbraw/zinc/76/71/35/836767135.db2.gz	WBBBWTIHOVJXFD-DLBZAZTESA-N	1	0	362.522	1.452	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1	ZINC000938037756	837105203	/nfs/dbraw/zinc/10/52/03/837105203.db2.gz	VXYFWOYIPHZGJU-TXTZMMAHSA-N	1	0	363.502	1.415	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1OC	ZINC000261712144	837265724	/nfs/dbraw/zinc/26/57/24/837265724.db2.gz	VKFBDLMENIIEOT-SUMWQHHRSA-N	1	0	363.458	1.998	20	30		FDEDRO
[NH2+]=C(NCCn1c2ccccc2[nH]c1=O)N[C@@H]1CCOc2ccccc21	ZINC000262704933	837838766	/nfs/dbraw/zinc/83/87/66/837838766.db2.gz	MFPOQHRLCKMNRU-CQSZACIVSA-N	1	0	351.410	1.758	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCOC2(CCC([NH2+]CCOC)CC2)C1	ZINC001105471030	837901782	/nfs/dbraw/zinc/90/17/82/837901782.db2.gz	SGNRBLGPACFDNY-NNVNDSJASA-N	1	0	366.502	1.744	20	30		FDEDRO
N#CCSCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCCC2)C1	ZINC001112264530	844299897	/nfs/dbraw/zinc/29/98/97/844299897.db2.gz	LJZSXGXRJZNYPP-YJBOKZPZSA-N	1	0	364.515	1.084	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)cc1	ZINC000989065174	838261484	/nfs/dbraw/zinc/26/14/84/838261484.db2.gz	PRCDLEIUEXLYIR-QAPCUYQASA-N	1	0	351.450	1.483	20	30		FDEDRO
C=CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000508724216	838467497	/nfs/dbraw/zinc/46/74/97/838467497.db2.gz	OYZODKTUESEZIF-UHFFFAOYSA-N	1	0	357.462	1.060	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CC#CC)C3)[C@H]2C(C)C)nc1	ZINC001105670015	844346959	/nfs/dbraw/zinc/34/69/59/844346959.db2.gz	WYTIJMPUBBOGHB-NXLVEIQXSA-N	1	0	365.477	1.666	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C)cc1	ZINC000989209338	838711942	/nfs/dbraw/zinc/71/19/42/838711942.db2.gz	AFTWEORBQGZBCU-YSGRDPCXSA-N	1	0	365.477	1.729	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)CCN3CCOCC3)[C@@H]2C)cc1	ZINC000989215219	838732333	/nfs/dbraw/zinc/73/23/33/838732333.db2.gz	MMOOPNVHKJRJDT-APWZRJJASA-N	1	0	369.465	1.109	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCN(C)C2=O)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088645465	838876839	/nfs/dbraw/zinc/87/68/39/838876839.db2.gz	JPDLOZKMJSYFIC-JLSDUUJJSA-N	1	0	354.454	1.506	20	30		FDEDRO
COc1ccc(CNC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1C#N	ZINC000841863280	839459142	/nfs/dbraw/zinc/45/91/42/839459142.db2.gz	NTBIDTCKQJWTSA-HKUYNNGSSA-N	1	0	372.469	1.995	20	30		FDEDRO
C#CC[C@H](NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1	ZINC000841865207	839520179	/nfs/dbraw/zinc/52/01/79/839520179.db2.gz	NDWWSYOFVOGMTK-HOTGVXAUSA-N	1	0	368.403	1.886	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN(c3ccnc(C#N)n3)C2)CC[N@@H+]1C	ZINC001059968506	839529013	/nfs/dbraw/zinc/52/90/13/839529013.db2.gz	HIPGEGRPGRUSQF-HRCADAONSA-N	1	0	356.474	1.411	20	30		FDEDRO
CCN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H]1C	ZINC001088684609	839727833	/nfs/dbraw/zinc/72/78/33/839727833.db2.gz	GJZFUMMRUHCGSI-AYOQOUSVSA-N	1	0	356.470	1.358	20	30		FDEDRO
C[C@H]1CN(C(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C[C@H](C)N1CC#N	ZINC000897591736	839813192	/nfs/dbraw/zinc/81/31/92/839813192.db2.gz	HGQWVMMBOLDBCR-XEYPJELSSA-N	1	0	369.513	1.960	20	30		FDEDRO
C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C[C@H](C)N1CC#N	ZINC000897591734	839815042	/nfs/dbraw/zinc/81/50/42/839815042.db2.gz	HGQWVMMBOLDBCR-BWPNAZKDSA-N	1	0	369.513	1.960	20	30		FDEDRO
CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CN(C)C[C@@H](C)O2)CCC1	ZINC001105544942	839953177	/nfs/dbraw/zinc/95/31/77/839953177.db2.gz	ZONIKHHXPIWOKZ-GUDVDZBRSA-N	1	0	361.530	1.870	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(N(C)CCC#N)cc2)C[C@H]1CS(N)(=O)=O	ZINC000897612466	839980705	/nfs/dbraw/zinc/98/07/05/839980705.db2.gz	ZESIXSRLYGNFAF-ZBFHGGJFSA-N	1	0	350.488	1.393	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105594574	840577302	/nfs/dbraw/zinc/57/73/02/840577302.db2.gz	SKJSMYVPJDUURL-SOAMZJECSA-N	1	0	360.502	1.966	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](CC)C2)cc1	ZINC000667551908	844560384	/nfs/dbraw/zinc/56/03/84/844560384.db2.gz	BVURDPXMYUMVCA-BBRMVZONSA-N	1	0	373.457	1.518	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(C)c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105595124	840588192	/nfs/dbraw/zinc/58/81/92/840588192.db2.gz	YIZLTRCGQHLVBO-FTEYMNFISA-N	1	0	358.486	1.332	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)CSCC#N)C[C@@]12C[C@@H](O)[C@H]([NH2+]C/C=C/Cl)C2	ZINC001105600215	840968193	/nfs/dbraw/zinc/96/81/93/840968193.db2.gz	DBKXRTUUYUMJSX-PUCZKATHSA-N	1	0	371.934	1.962	20	30		FDEDRO
C=CCc1cc(C[NH2+][C@H]2CN(C(=O)OCC)C[C@H]2CO)cc(OC)c1O	ZINC000898358230	840994096	/nfs/dbraw/zinc/99/40/96/840994096.db2.gz	CCAHKYUCZIDRMD-HOTGVXAUSA-N	1	0	364.442	1.668	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)COCC3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105600471	841010900	/nfs/dbraw/zinc/01/09/00/841010900.db2.gz	HXJLNYQERIHDLZ-IZBJGVDFSA-N	1	0	350.503	1.955	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(CC)n[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105600760	841013482	/nfs/dbraw/zinc/01/34/82/841013482.db2.gz	MMZCAISQKVBJMI-SOAMZJECSA-N	1	0	358.486	1.575	20	30		FDEDRO
CC(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CSCC#N)[C@H]2C(C)C)C[C@H]1O	ZINC001105601244	841044573	/nfs/dbraw/zinc/04/45/73/841044573.db2.gz	VEVXERHQBVQJKV-LMSBXDPUSA-N	1	0	353.532	1.865	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc[nH]n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105604311	841183887	/nfs/dbraw/zinc/18/38/87/841183887.db2.gz	SQSDAQSHEKASJE-VXNCWWDNSA-N	1	0	362.474	1.192	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CNC(=O)CCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105606987	841211024	/nfs/dbraw/zinc/21/10/24/841211024.db2.gz	JRUFLUORGHWQGI-LTDCPUDJSA-N	1	0	351.491	1.055	20	30		FDEDRO
C=CCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCn3cncn3)C2)[C@@H]1C(C)C	ZINC001105606826	841214974	/nfs/dbraw/zinc/21/49/74/841214974.db2.gz	HELSQMGYHAZPOX-ZAWLATJESA-N	1	0	361.490	1.210	20	30		FDEDRO
C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCCCc3[nH]nc(N)c3C#N)ccc21	ZINC000455879903	841220602	/nfs/dbraw/zinc/22/06/02/841220602.db2.gz	RHQVSDPGEUWVOW-QGZVFWFLSA-N	1	0	367.457	2.167	20	30		FDEDRO
C=CCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NCCC)C2)[C@@H]1C(C)C	ZINC001105607726	841233002	/nfs/dbraw/zinc/23/30/02/841233002.db2.gz	WTEXBMSFDGEPQQ-YKCBXCCJSA-N	1	0	365.518	1.445	20	30		FDEDRO
CCOCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC#CCOC)C2)[C@@H]1C(C)C	ZINC001105607901	841237913	/nfs/dbraw/zinc/23/79/13/841237913.db2.gz	ZOEVWICTCVGULW-JYBIWHBTSA-N	1	0	366.502	1.029	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cc(C)on3)[C@H]2C(C)C)C[C@H]1O	ZINC001105610147	841577755	/nfs/dbraw/zinc/57/77/55/841577755.db2.gz	IIITYQCDWIJTIN-IZBJGVDFSA-N	1	0	359.470	1.515	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCC=C)[C@H]2C(C)C)C[C@H]1O	ZINC001105612035	841939339	/nfs/dbraw/zinc/93/93/39/841939339.db2.gz	WWVUQMKGCMAGFI-IZBJGVDFSA-N	1	0	366.502	1.358	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CNC(=O)CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105614434	842228172	/nfs/dbraw/zinc/22/81/72/842228172.db2.gz	HGSNFLSLJKPEET-LTDCPUDJSA-N	1	0	351.491	1.055	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cc(C)n[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105615100	842229752	/nfs/dbraw/zinc/22/97/52/842229752.db2.gz	OZMXPTUICLFUPN-LFGUQSLTSA-N	1	0	358.486	1.250	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC#CC)C2)[C@@H]1C(C)C	ZINC001105615217	842230334	/nfs/dbraw/zinc/23/03/34/842230334.db2.gz	QHVNJGXIINVXCJ-QCFAMHMHSA-N	1	0	362.514	1.959	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cccnc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105618760	842233939	/nfs/dbraw/zinc/23/39/39/842233939.db2.gz	ALYDPACIAQQJHW-QCFAMHMHSA-N	1	0	355.482	1.614	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCC(=O)NC)[C@H]2C(C)C)C[C@H]1O	ZINC001105619028	842235342	/nfs/dbraw/zinc/23/53/42/842235342.db2.gz	DTRHESRPOVBWIZ-YKCBXCCJSA-N	1	0	365.518	1.445	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(=O)NCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105619593	842238333	/nfs/dbraw/zinc/23/83/33/842238333.db2.gz	OAZPFJOOPOZJFH-LTDCPUDJSA-N	1	0	351.491	1.055	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105619638	842238391	/nfs/dbraw/zinc/23/83/91/842238391.db2.gz	OQKBOIKYVUGIEC-LBKNJMOBSA-N	1	0	360.502	1.966	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCC(=O)NC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105620197	842241918	/nfs/dbraw/zinc/24/19/18/842241918.db2.gz	XSKWLYRXNMSYOX-SMOSDQRPSA-N	1	0	365.518	1.445	20	30		FDEDRO
C#CCCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCOC)C2)[C@H]1C(C)C	ZINC001105623285	842251694	/nfs/dbraw/zinc/25/16/94/842251694.db2.gz	OYEMTTCKLRETEZ-LFGUQSLTSA-N	1	0	350.503	1.793	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C)nn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105623452	842251890	/nfs/dbraw/zinc/25/18/90/842251890.db2.gz	QDZYQFHFNQQWIO-KLICCBINSA-N	1	0	361.490	1.361	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(C)nn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105628206	842261621	/nfs/dbraw/zinc/26/16/21/842261621.db2.gz	SOQKLBUTUCFFKI-XSYGEPLQSA-N	1	0	358.486	1.941	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@@H]1C(C)C	ZINC001105631576	842265128	/nfs/dbraw/zinc/26/51/28/842265128.db2.gz	DVYCSRZJGRWWQW-HBXLWWENSA-N	1	0	352.519	1.937	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc4n3CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001105637471	842272282	/nfs/dbraw/zinc/27/22/82/842272282.db2.gz	QIJJREFGTNABOA-QSRMWPQZSA-N	1	0	370.497	1.432	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)nnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105632700	842280839	/nfs/dbraw/zinc/28/08/39/842280839.db2.gz	NOAFFGRLLPWGER-XCJLJZCSSA-N	1	0	370.497	1.696	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCC)C2)[C@H]1C(C)C	ZINC001105632693	842280847	/nfs/dbraw/zinc/28/08/47/842280847.db2.gz	NLFZJMDTWGPGJU-HNBVOPMISA-N	1	0	350.503	1.793	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=C)Cl)C2)[C@@H]1C(C)C	ZINC001105633784	842283067	/nfs/dbraw/zinc/28/30/67/842283067.db2.gz	WVLWCXLZHXOPPG-ZAWLATJESA-N	1	0	368.905	1.745	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)N(C)C)C2)[C@H]1C(C)C	ZINC001105645919	842391975	/nfs/dbraw/zinc/39/19/75/842391975.db2.gz	DWRBGOHLMSNFLX-YVTWGWGSSA-N	1	0	365.518	1.253	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCn3ccnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105647524	842413699	/nfs/dbraw/zinc/41/36/99/842413699.db2.gz	RQPOZCJCGNKWMM-LFGUQSLTSA-N	1	0	358.486	1.263	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCn3ccnc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105648096	842415272	/nfs/dbraw/zinc/41/52/72/842415272.db2.gz	WTJLUUWJRCFCGR-HNBVOPMISA-N	1	0	358.486	1.263	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(N)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105651678	842444891	/nfs/dbraw/zinc/44/48/91/842444891.db2.gz	IDZNEMIHEYLUCW-YKTARERQSA-N	1	0	351.491	1.184	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH]c(=O)cc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105656592	842487169	/nfs/dbraw/zinc/48/71/69/842487169.db2.gz	RHDKFBFRPLTQPB-PLOVASNDSA-N	1	0	371.481	1.699	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(F)(F)C(F)F)[C@@H]2C(C)C)C[C@H]1O	ZINC001105656419	842493555	/nfs/dbraw/zinc/49/35/55/842493555.db2.gz	PTJOKKIFYPETMY-ZNEHSRBWSA-N	1	0	364.383	1.876	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnc(C)s2)C[C@@H]1O	ZINC001083469501	842542797	/nfs/dbraw/zinc/54/27/97/842542797.db2.gz	VNBRKUXBRFQLGK-WCVJEAGWSA-N	1	0	351.472	1.094	20	30		FDEDRO
C[C@H](OC(=O)COC1CC[NH+](C)CC1)C(=O)NC1(C#N)CCCCC1	ZINC000923793890	842546104	/nfs/dbraw/zinc/54/61/04/842546104.db2.gz	HTNCGPRANFTZCV-AWEZNQCLSA-N	1	0	351.447	1.372	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cn(C)ccc2=O)CCN1Cc1ccc(C#N)c(F)c1	ZINC001088734812	842665200	/nfs/dbraw/zinc/66/52/00/842665200.db2.gz	FORLZRBQYJWCRA-ACJLOTCBSA-N	1	0	368.412	1.789	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCn3cccc3)[C@H]2C(C)C)C[C@H]1O	ZINC001105661916	842746384	/nfs/dbraw/zinc/74/63/84/842746384.db2.gz	LQNYOWIMEJBBKM-RMVXJAJNSA-N	1	0	357.498	1.868	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(=O)N(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105663385	842809964	/nfs/dbraw/zinc/80/99/64/842809964.db2.gz	SNTNJJCEQQNDFU-DTTOXWODSA-N	1	0	371.909	1.183	20	30		FDEDRO
N#Cc1cc(CN2C[C@@H]3CCN(C(=O)[C@@H]4CCC(=O)NC4)[C@@H]3C2)ccc1F	ZINC001075977099	843124706	/nfs/dbraw/zinc/12/47/06/843124706.db2.gz	JHWPWGNFIYHLQD-RVKKMQEKSA-N	1	0	370.428	1.256	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC(=O)NC4)[C@@H]3C2)c1	ZINC001075977452	843143930	/nfs/dbraw/zinc/14/39/30/843143930.db2.gz	ULJSASMYSRBWET-FGTMMUONSA-N	1	0	352.438	1.117	20	30		FDEDRO
C[N@H+](C[C@H](O)COc1ccc2c(c1)OCO2)C[C@@H](O)c1cccc(C#N)c1	ZINC000842147911	844938123	/nfs/dbraw/zinc/93/81/23/844938123.db2.gz	IVTOMLSTTLBMTE-FUHWJXTLSA-N	1	0	370.405	1.692	20	30		FDEDRO
CC(C)[C@@H](C(=O)OC(C)(C)C)N1CC[C@H]([NH2+]Cc2cc(C#N)n(C)c2)C1=O	ZINC000480283407	845001024	/nfs/dbraw/zinc/00/10/24/845001024.db2.gz	LFYVNHNUZGTPOS-IRXDYDNUSA-N	1	0	374.485	1.954	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnc(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105672629	845179631	/nfs/dbraw/zinc/17/96/31/845179631.db2.gz	CAVOZHKRICPUGQ-MLYOOKFZSA-N	1	0	356.470	1.388	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)cc1C#N	ZINC000842181201	845373708	/nfs/dbraw/zinc/37/37/08/845373708.db2.gz	VVPUASQNHQCDGT-CYBMUJFWSA-N	1	0	366.421	1.519	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCOCCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105674400	845466740	/nfs/dbraw/zinc/46/67/40/845466740.db2.gz	WSKPZNCAXBHGGQ-IZBJGVDFSA-N	1	0	368.518	1.582	20	30		FDEDRO
CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@](O)(CC#N)C2)[NH+](C)C)cc1	ZINC000899097955	845759178	/nfs/dbraw/zinc/75/91/78/845759178.db2.gz	JLKQMCKAEJOSEU-HKUYNNGSSA-N	1	0	359.474	1.415	20	30		FDEDRO
C#CC1(O)CCN(C(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)CC1	ZINC000899114672	845806767	/nfs/dbraw/zinc/80/67/67/845806767.db2.gz	XEEFMMKHZWQTAR-UHFFFAOYSA-N	1	0	355.482	1.817	20	30		FDEDRO
C[NH+](C)CCCN1C(=O)C[C@H](N2CCO[C@H](c3ccc(C#N)cc3)C2)C1=O	ZINC000899252009	845996887	/nfs/dbraw/zinc/99/68/87/845996887.db2.gz	FYOCFXWJZNEDRH-ROUUACIJSA-N	1	0	370.453	1.011	20	30		FDEDRO
C=C(C)C[N@@H+](C)CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1	ZINC000481264194	846295423	/nfs/dbraw/zinc/29/54/23/846295423.db2.gz	ZQZVUXZVMGSXTO-SFHVURJKSA-N	1	0	373.453	1.005	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C(C)C)C[C@@H]1O	ZINC001083535687	846922812	/nfs/dbraw/zinc/92/28/12/846922812.db2.gz	GHHAEUOHTNHNAQ-HKBOAZHASA-N	1	0	369.509	1.569	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4cncc(C)c4)[C@@H]3C2)C1=O	ZINC001076090822	847258412	/nfs/dbraw/zinc/25/84/12/847258412.db2.gz	LDSSIZWIMDHLRZ-GBESFXJTSA-N	1	0	368.481	1.252	20	30		FDEDRO
C=C1CCC(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](O)Cn4cccn4)C[C@H]32)CC1	ZINC001076209659	847567623	/nfs/dbraw/zinc/56/76/23/847567623.db2.gz	BTDKPVOKLNFLQG-IPMKNSEASA-N	1	0	358.486	1.523	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](CCO[C@@H]4CC4(F)F)C[C@H]32)nn1	ZINC001076336447	847884245	/nfs/dbraw/zinc/88/42/45/847884245.db2.gz	YBACMULNJMVRBR-NWANDNLSSA-N	1	0	367.400	1.035	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]32)cc1	ZINC001076333700	847909671	/nfs/dbraw/zinc/90/96/71/847909671.db2.gz	IKZNMCMRZVDBMC-HHXXYDBFSA-N	1	0	369.465	1.322	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ncoc4C4CC4)[C@@H]3C2)C1=O	ZINC001076429448	848116564	/nfs/dbraw/zinc/11/65/64/848116564.db2.gz	QYGXFPJQMHAOAU-ARFHVFGLSA-N	1	0	370.453	1.485	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cccc(OC)n4)[C@@H]3C2)C1=O	ZINC001076419813	848124611	/nfs/dbraw/zinc/12/46/11/848124611.db2.gz	OBLNJZCXJMHIHP-BHYGNILZSA-N	1	0	370.453	1.023	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(C4CCOCC4)nn3)[C@@H]2C1	ZINC001076440844	848147298	/nfs/dbraw/zinc/14/72/98/848147298.db2.gz	IZIHHCVXJXDOFI-MAUKXSAKSA-N	1	0	359.474	1.742	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CCO[C@H]4CC4(F)F)C[C@H]32)cn1	ZINC001076477257	848242589	/nfs/dbraw/zinc/24/25/89/848242589.db2.gz	WWTRUKSHZOYRDL-UAGQMJEPSA-N	1	0	361.392	1.633	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cccc(OC)c4)[C@@H]3C2)C1=O	ZINC001076493411	848274576	/nfs/dbraw/zinc/27/45/76/848274576.db2.gz	DWTKSPJAAGYLIA-YTQUADARSA-N	1	0	369.465	1.628	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCc4ccc(C)o4)[C@@H]3C2)C1=O	ZINC001076604465	848553533	/nfs/dbraw/zinc/55/35/33/848553533.db2.gz	HFJDUAOBDYXUMJ-QXAKKESOSA-N	1	0	371.481	1.840	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1	ZINC001112537616	848979001	/nfs/dbraw/zinc/97/90/01/848979001.db2.gz	PRVGGQMYZYMJLK-YJBOKZPZSA-N	1	0	356.532	1.852	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCc4ccc(F)cc43)C[C@H]2O)[nH]1	ZINC001076898545	849283412	/nfs/dbraw/zinc/28/34/12/849283412.db2.gz	OFUCYEIFSUEVOE-CEXWTWQISA-N	1	0	368.412	1.878	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CC[NH+]1CCCCC1	ZINC001076917409	849315413	/nfs/dbraw/zinc/31/54/13/849315413.db2.gz	FYPFMAYYMGDFGU-BBWFWOEESA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2N(C)C)C[C@H]1O	ZINC001077019566	849554940	/nfs/dbraw/zinc/55/49/40/849554940.db2.gz	YMCZLBNTKHIDDT-LFGUQSLTSA-N	1	0	373.497	1.395	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)C[C@H]1O	ZINC001077159319	849956343	/nfs/dbraw/zinc/95/63/43/849956343.db2.gz	ZGCYIBJBFKTVNR-QHAWAJNXSA-N	1	0	367.493	1.323	20	30		FDEDRO
CCOC(=O)c1ccc(S(=O)(=O)NN=C2CCC[N@H+](C)CC2)cc1	ZINC000758117579	850059873	/nfs/dbraw/zinc/05/98/73/850059873.db2.gz	MAGDUHAYLOANBV-UHFFFAOYSA-N	1	0	353.444	1.613	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)cc1	ZINC001077219226	850133709	/nfs/dbraw/zinc/13/37/09/850133709.db2.gz	MFPXYLQOLLQICA-RTBURBONSA-N	1	0	368.481	1.096	20	30		FDEDRO
Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCCN1c1nccnc1C#N	ZINC001060177112	850673909	/nfs/dbraw/zinc/67/39/09/850673909.db2.gz	OZNJIKIVJCPJOB-RRFJBIMHSA-N	1	0	365.441	1.361	20	30		FDEDRO
C=CCCC[C@H]1NC(=O)N(Cc2ccc(N3CC[NH+](C)CC3)nc2)C1=O	ZINC000904135159	850977268	/nfs/dbraw/zinc/97/72/68/850977268.db2.gz	VPXMENBRWDCSCY-MRXNPFEDSA-N	1	0	357.458	1.610	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@H]2CCC(C)(C)CN2C(=O)C#CC2CC2)CC[N@@H+]1C	ZINC000991045918	851078677	/nfs/dbraw/zinc/07/86/77/851078677.db2.gz	PWBBHSSGWMHSNN-KBAYOESNSA-N	1	0	359.514	1.873	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1	ZINC000668388564	851150604	/nfs/dbraw/zinc/15/06/04/851150604.db2.gz	GTOMBZPVUAPTPM-KURKYZTESA-N	1	0	365.518	1.711	20	30		FDEDRO
COC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000904470479	851246434	/nfs/dbraw/zinc/24/64/34/851246434.db2.gz	XTZHHJGWLPATJX-GFCCVEGCSA-N	1	0	358.320	1.909	20	30		FDEDRO
Cc1cc(C#N)nc(N2CCCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1	ZINC001060184708	851404765	/nfs/dbraw/zinc/40/47/65/851404765.db2.gz	LIDSRCXCPNWHPF-HYVNUMGLSA-N	1	0	356.474	1.472	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+]	ZINC000904962921	851557471	/nfs/dbraw/zinc/55/74/71/851557471.db2.gz	ZVGIALQKGLOCHI-QGZVFWFLSA-N	1	0	368.462	1.663	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1	ZINC000904986020	851586483	/nfs/dbraw/zinc/58/64/83/851586483.db2.gz	HIYZIDCEFOPTBR-HZPDHXFCSA-N	1	0	374.510	1.816	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1	ZINC000905065575	851650811	/nfs/dbraw/zinc/65/08/11/851650811.db2.gz	PYFXBXWBYIXJLE-LLVKDONJSA-N	1	0	369.325	1.486	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1	ZINC000913522897	862287912	/nfs/dbraw/zinc/28/79/12/862287912.db2.gz	DWGCCJWYHHVGIP-UHFFFAOYSA-N	1	0	366.252	1.928	20	30		FDEDRO
CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)NCC#CC[NH+](C)C)C1	ZINC000913524201	862288875	/nfs/dbraw/zinc/28/88/75/862288875.db2.gz	CZYCVLOPLUZXJN-KBXCAEBGSA-N	1	0	353.463	1.082	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1	ZINC000913515508	862294722	/nfs/dbraw/zinc/29/47/22/862294722.db2.gz	ZJSYRSXXMBBDCX-ZHACJKMWSA-N	1	0	353.466	1.620	20	30		FDEDRO
C[C@@](O)(C[NH2+]C[C@H](n1cncn1)C(F)(F)F)C(F)(F)C(F)(F)F	ZINC000905399301	851905685	/nfs/dbraw/zinc/90/56/85/851905685.db2.gz	KAUNJQSNHAWUJQ-NKWVEPMBSA-N	1	0	356.217	1.920	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1	ZINC000913516079	862297072	/nfs/dbraw/zinc/29/70/72/862297072.db2.gz	ZZORKYHSJZTNCF-UHFFFAOYSA-N	1	0	357.841	1.845	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1	ZINC000913516581	862299468	/nfs/dbraw/zinc/29/94/68/862299468.db2.gz	WPHHCALPUUDLDP-UHFFFAOYSA-N	1	0	363.483	1.202	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F	ZINC000905448546	851926937	/nfs/dbraw/zinc/92/69/37/851926937.db2.gz	XLNFKXYVKCLMCG-CMPLNLGQSA-N	1	0	354.275	1.446	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC3(CCOCC3)CO2)cc1	ZINC000905426828	851932631	/nfs/dbraw/zinc/93/26/31/851932631.db2.gz	VAXZXAMVSLFNLH-HKUYNNGSSA-N	1	0	360.454	1.863	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F	ZINC000913517548	862300253	/nfs/dbraw/zinc/30/02/53/862300253.db2.gz	GFXJXOCQPYGSLB-UHFFFAOYSA-N	1	0	369.322	1.720	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@H](O)Cc2ccc(F)cc2)cc1	ZINC000905474591	851948031	/nfs/dbraw/zinc/94/80/31/851948031.db2.gz	PLQWWIRPXKRKGM-MOPGFXCFSA-N	1	0	358.413	1.825	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1	ZINC000913518532	862302182	/nfs/dbraw/zinc/30/21/82/862302182.db2.gz	TUYDPUMDFBHCDR-HNNXBMFYSA-N	1	0	365.886	1.536	20	30		FDEDRO
Brc1nc2n(c1C=NNC1=[NH+][C@@H]3CCCC[C@H]3N1)CCOC2	ZINC000905456363	851959647	/nfs/dbraw/zinc/95/96/47/851959647.db2.gz	HMANYJZIRNWTOR-NXEZZACHSA-N	1	0	367.251	1.370	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+]CC2CC3(C2)OCCO3)c(OC)c1	ZINC000905591754	852082663	/nfs/dbraw/zinc/08/26/63/852082663.db2.gz	LLZDUQBDJBPBDK-KRWDZBQOSA-N	1	0	363.454	1.906	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1	ZINC000485413952	852147642	/nfs/dbraw/zinc/14/76/42/852147642.db2.gz	VUTWJZSOMQLFNM-NZSAHSFTSA-N	1	0	356.470	1.948	20	30		FDEDRO
Cc1c(I)cn(C[C@@H]2C[NH2+]C[C@H]2C)c(=O)c1C#N	ZINC000905733781	852233246	/nfs/dbraw/zinc/23/32/46/852233246.db2.gz	LILANIQCYQCJBP-SCZZXKLOSA-N	1	0	357.195	1.489	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC001212131403	852673347	/nfs/dbraw/zinc/67/33/47/852673347.db2.gz	NZVLREGDCQWTHE-RTBURBONSA-N	1	0	368.437	1.532	20	30		FDEDRO
N#C[C@@]1(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)CC2CCC1CC2	ZINC000906511030	852955145	/nfs/dbraw/zinc/95/51/45/852955145.db2.gz	JOXLDFLVPHEQHX-VQIVBJKUSA-N	1	0	358.486	1.647	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@]2(C#N)CC3CCC2CC3)CC1	ZINC000906569173	853028867	/nfs/dbraw/zinc/02/88/67/853028867.db2.gz	MEFNXQGASULVMZ-LBXVMSDZSA-N	1	0	360.502	1.719	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC1(C2CC[NH2+]CC2)CC1	ZINC000906714791	853205398	/nfs/dbraw/zinc/20/53/98/853205398.db2.gz	BQPKVGAVMPVQDT-UHFFFAOYSA-N	1	0	359.401	1.425	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)cc1	ZINC000906735325	853237404	/nfs/dbraw/zinc/23/74/04/853237404.db2.gz	MQLZLSGFRSIDIO-MRXNPFEDSA-N	1	0	358.442	1.189	20	30		FDEDRO
C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000486057753	853562037	/nfs/dbraw/zinc/56/20/37/853562037.db2.gz	ZNZXDXBWDDHZIO-MAUKXSAKSA-N	1	0	363.465	1.953	20	30		FDEDRO
C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1c(C#N)sc2ccccc21	ZINC000907064393	853771141	/nfs/dbraw/zinc/77/11/41/853771141.db2.gz	FGEMUYZGFVGSPT-OAHLLOKOSA-N	1	0	353.469	1.364	20	30		FDEDRO
N#Cc1ccccc1CN1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1	ZINC001083607280	853962890	/nfs/dbraw/zinc/96/28/90/853962890.db2.gz	PEAFRBIZUUPSME-MOPGFXCFSA-N	1	0	361.405	1.181	20	30		FDEDRO
N#Cc1cc(F)cc(S(=O)(=O)NC2CC[NH+](C3CCOCC3)CC2)c1	ZINC000907330477	854085810	/nfs/dbraw/zinc/08/58/10/854085810.db2.gz	UVFQGNHGZQVCFF-UHFFFAOYSA-N	1	0	367.446	1.619	20	30		FDEDRO
N#Cc1ccc(F)c(CS(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c1	ZINC000908005448	854891984	/nfs/dbraw/zinc/89/19/84/854891984.db2.gz	AHWBYJOYBLPXJC-IAGOWNOFSA-N	1	0	367.446	1.058	20	30		FDEDRO
C[NH+](C)CCn1nccc1C(=O)N1CCC(C#N)(c2ccccn2)CC1	ZINC000908015976	854913155	/nfs/dbraw/zinc/91/31/55/854913155.db2.gz	KBVWXQMTZSQKGX-UHFFFAOYSA-N	1	0	352.442	1.537	20	30		FDEDRO
C=CCCCC(=O)N1CC[C@@H](CCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1	ZINC001060265463	862654491	/nfs/dbraw/zinc/65/44/91/862654491.db2.gz	OSNSSGPBJFUMAW-BRWVUGGUSA-N	1	0	351.491	1.417	20	30		FDEDRO
CN(C)c1ccc([C@H](CNS(=O)(=O)CCCCC#N)[NH+](C)C)cc1	ZINC000908457574	855469670	/nfs/dbraw/zinc/46/96/70/855469670.db2.gz	GDYJPJLTOPEIDU-KRWDZBQOSA-N	1	0	352.504	1.969	20	30		FDEDRO
C#CCCCc1nnc(N2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)n1C	ZINC000908530046	855567236	/nfs/dbraw/zinc/56/72/36/855567236.db2.gz	WRXLHTVOCBWQDX-MOPGFXCFSA-N	1	0	365.481	1.861	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1	ZINC000669273681	862776000	/nfs/dbraw/zinc/77/60/00/862776000.db2.gz	FLLOFIQJGJZXCJ-BPQIPLTHSA-N	1	0	363.502	1.295	20	30		FDEDRO
C=C(C)Cn1c(-c2cccnn2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000909301536	856414767	/nfs/dbraw/zinc/41/47/67/856414767.db2.gz	JZEIGHJRDMFBKM-MRXNPFEDSA-N	1	0	369.473	1.612	20	30		FDEDRO
CC[N@@H+]1CCCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)[C@@H](C)C1	ZINC000910286404	857036197	/nfs/dbraw/zinc/03/61/97/857036197.db2.gz	AEOSOHJAIDBARV-AWEZNQCLSA-N	1	0	352.442	1.882	20	30		FDEDRO
C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C#N)o1	ZINC000488358505	857765193	/nfs/dbraw/zinc/76/51/93/857765193.db2.gz	IJNPRYKFCIZJRX-INIZCTEOSA-N	1	0	354.410	1.170	20	30		FDEDRO
C#CCN(C(=O)C(=O)N(C)CCc1ccc(F)cc1)C1CC[NH+](C)CC1	ZINC000910885221	857835970	/nfs/dbraw/zinc/83/59/70/857835970.db2.gz	IKQPLVNLFLRXNI-UHFFFAOYSA-N	1	0	359.445	1.383	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CCO[C@H](c2ccccc2)C1)C1CC[NH+](C)CC1	ZINC000910886354	857840153	/nfs/dbraw/zinc/84/01/53/857840153.db2.gz	UDRDKQFDAFTYQD-IBGZPJMESA-N	1	0	369.465	1.143	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CCCC[C@H]2C2(C[NH3+])CCC2)c1	ZINC000910985555	857986026	/nfs/dbraw/zinc/98/60/26/857986026.db2.gz	CECJQBPEKWXOMQ-SFHVURJKSA-N	1	0	353.466	1.794	20	30		FDEDRO
COCCN1CCC([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000488501954	858129925	/nfs/dbraw/zinc/12/99/25/858129925.db2.gz	HJZMTNYZMFSTMX-LJQANCHMSA-N	1	0	356.470	1.360	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1)c1ccc(C#N)cc1	ZINC000911133035	858196943	/nfs/dbraw/zinc/19/69/43/858196943.db2.gz	DMFJMPMREDCJSW-GDLCADMTSA-N	1	0	368.359	1.474	20	30		FDEDRO
C=C(C)Cn1c(-c2cn(C)nn2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C	ZINC000669333824	862996368	/nfs/dbraw/zinc/99/63/68/862996368.db2.gz	XOQHZNYUDNHKPS-GOEBONIOSA-N	1	0	358.494	1.816	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@H](COC)C1	ZINC000669334335	862997879	/nfs/dbraw/zinc/99/78/79/862997879.db2.gz	CNVDPWVAFVQSOF-BBWFWOEESA-N	1	0	361.490	1.863	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])c1	ZINC000911404192	858593385	/nfs/dbraw/zinc/59/33/85/858593385.db2.gz	XPASQLQNMHDUOW-GOSISDBHSA-N	1	0	366.396	1.398	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1	ZINC000911556804	858761132	/nfs/dbraw/zinc/76/11/32/858761132.db2.gz	LWHVXEUYSJUWAW-GOSISDBHSA-N	1	0	356.470	1.944	20	30		FDEDRO
N#C[C@]1(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC2CCC1CC2	ZINC000911707281	858938554	/nfs/dbraw/zinc/93/85/54/858938554.db2.gz	ZRQDWBXVRAVCFD-CQKVTUKBSA-N	1	0	358.486	1.377	20	30		FDEDRO
C[NH+]1CCC(N(CCO)C(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000911943686	859141357	/nfs/dbraw/zinc/14/13/57/859141357.db2.gz	PEMGNLRSMYRNHH-UHFFFAOYSA-N	1	0	354.372	1.972	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)NN1C(=O)c2ccc(Br)cc2C1=O	ZINC000912050290	859299305	/nfs/dbraw/zinc/29/93/05/859299305.db2.gz	ZMGWLDWKJPBLDS-UHFFFAOYSA-N	1	0	366.215	1.584	20	30		FDEDRO
C#CCN(C(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1)C1CSC1	ZINC000912362163	859674539	/nfs/dbraw/zinc/67/45/39/859674539.db2.gz	PNUSFLPYLMCCHI-UHFFFAOYSA-N	1	0	358.467	1.494	20	30		FDEDRO
CC(C)(C)[NH+]=C(NCCN1CCCS1(=O)=O)NCc1ccccc1	ZINC000912499706	859827716	/nfs/dbraw/zinc/82/77/16/859827716.db2.gz	ZAKHOJGCGWVBIT-UHFFFAOYSA-N	1	0	352.504	1.556	20	30		FDEDRO
N#Cc1cccc(C2(NC(=O)C3C[NH+]([C@H]4CCOC4)C3)CCOCC2)c1	ZINC000912515289	859838848	/nfs/dbraw/zinc/83/88/48/859838848.db2.gz	UMZSSDWZZFCBGN-SFHVURJKSA-N	1	0	355.438	1.401	20	30		FDEDRO
C[C@@H]([NH3+])[C@H]1CN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCO1	ZINC000668997072	860054682	/nfs/dbraw/zinc/05/46/82/860054682.db2.gz	WFYAFERLAZKPFS-IUODEOHRSA-N	1	0	355.360	1.815	20	30		FDEDRO
N#Cc1cc(CS(=O)(=O)N2CCC([N@@H+]3CCCOCC3)CC2)cs1	ZINC000916291351	881516264	/nfs/dbraw/zinc/51/62/64/881516264.db2.gz	BDSMQVMUXQZACN-UHFFFAOYSA-N	1	0	369.512	1.636	20	30		FDEDRO
C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000912807195	860247943	/nfs/dbraw/zinc/24/79/43/860247943.db2.gz	JFMVBSSHDILYQM-CRAIPNDOSA-N	1	0	356.470	1.867	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(CC)Cc1cn(C)nn1	ZINC000669032415	860841369	/nfs/dbraw/zinc/84/13/69/860841369.db2.gz	JVPWLPBGKVKYDZ-CVEARBPZSA-N	1	0	372.477	1.155	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H]([NH+]3CCC3)C2)s1	ZINC000912900542	860994282	/nfs/dbraw/zinc/99/42/82/860994282.db2.gz	MIDPGMYXUJGSKD-ZDUSSCGKSA-N	1	0	369.512	1.062	20	30		FDEDRO
CC(=O)NCC(=O)N1C[C@@H](C[NH2+]CC#Cc2cccc(Cl)c2)[C@H](C)C1	ZINC001105773818	863068011	/nfs/dbraw/zinc/06/80/11/863068011.db2.gz	AGKNKSGELXGAQM-RHSMWYFYSA-N	1	0	361.873	1.512	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC=CCC2)C[C@H]1C	ZINC001105814285	863347214	/nfs/dbraw/zinc/34/72/14/863347214.db2.gz	DTUXCQITZOGOHA-OWCLPIDISA-N	1	0	362.474	1.039	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]Cc1ncc(Cl)n1C	ZINC001105846157	863475825	/nfs/dbraw/zinc/47/58/25/863475825.db2.gz	KFNHIHBPKJIGHS-VXGBXAGGSA-N	1	0	355.895	1.514	20	30		FDEDRO
C[C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001105869148	863560171	/nfs/dbraw/zinc/56/01/71/863560171.db2.gz	XZWMCCBLAKCFQO-RDTXWAMCSA-N	1	0	354.454	1.269	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CSC(C)C)C1	ZINC001111600259	863601462	/nfs/dbraw/zinc/60/14/62/863601462.db2.gz	PNSJVWQKEKLXIE-VKJFTORMSA-N	1	0	353.532	1.789	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)COC(C)C)C[C@H]2C)c1	ZINC001105901217	863803675	/nfs/dbraw/zinc/80/36/75/863803675.db2.gz	KYQHUCJBNJKFKF-SJLPKXTDSA-N	1	0	371.481	1.716	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[C@H]1CCN(C(=O)CC[NH+](C)C)C1	ZINC001060321658	863907608	/nfs/dbraw/zinc/90/76/08/863907608.db2.gz	NPINGQJMCWNHOR-LNLFQRSKSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(CC)n2C)[C@H](C)C1	ZINC001105912774	863943827	/nfs/dbraw/zinc/94/38/27/863943827.db2.gz	MTRLMOSRNOOBOG-BZUAXINKSA-N	1	0	363.506	1.543	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC2CCCC2)[C@H](C)C1	ZINC001105926944	864056341	/nfs/dbraw/zinc/05/63/41/864056341.db2.gz	OXCGGJBJVVYZJM-HUUCEWRRSA-N	1	0	364.490	1.405	20	30		FDEDRO
C=C(CNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccccc1	ZINC000641830459	864111757	/nfs/dbraw/zinc/11/17/57/864111757.db2.gz	OTWFWWXXGMAYMU-FQEVSTJZSA-N	1	0	372.513	1.796	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCCCCC2)[C@H](C)C1	ZINC001105941954	864153754	/nfs/dbraw/zinc/15/37/54/864153754.db2.gz	RXBUAZCZQUQRFX-QZTJIDSGSA-N	1	0	365.518	1.666	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2nc(C(C)(C)C)no2)[C@H](C)C1	ZINC001105942749	864162200	/nfs/dbraw/zinc/16/22/00/864162200.db2.gz	OUPHQIAIHZXEMW-ZIAGYGMSSA-N	1	0	350.463	1.754	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCc2cccs2)[C@H](C)C1	ZINC001105945625	864185520	/nfs/dbraw/zinc/18/55/20/864185520.db2.gz	CBSMKJOMWOBCDK-RRFJBIMHSA-N	1	0	362.499	1.251	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C(=O)C(C)(C)C)C[C@H]1C	ZINC001105953476	864218323	/nfs/dbraw/zinc/21/83/23/864218323.db2.gz	YNRNLBLUPWZJFG-HZPDHXFCSA-N	1	0	363.502	1.486	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)N(CC)CC)[C@H](C)C1	ZINC001105984671	864343896	/nfs/dbraw/zinc/34/38/96/864343896.db2.gz	VAZBKAMIPQFWAA-FGTMMUONSA-N	1	0	367.534	1.910	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]CCO[C@H]1CC1(F)F	ZINC001106015381	864654724	/nfs/dbraw/zinc/65/47/24/864654724.db2.gz	BTSLOILEHXQYQL-JMSVASOKSA-N	1	0	352.385	1.608	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]C[C@@H](O)CC(F)(F)F	ZINC001106025691	864813908	/nfs/dbraw/zinc/81/39/08/864813908.db2.gz	CLFMWMINSDICLN-QKCSRTOESA-N	1	0	358.364	1.497	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cc2ccc(F)cc2)C[C@H]1OC	ZINC001212186966	864862004	/nfs/dbraw/zinc/86/20/04/864862004.db2.gz	DYXXIDSYBKVFMK-GUDVDZBRSA-N	1	0	362.445	1.348	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](C[NH2+]C[C@@H](C)CS(C)(=O)=O)[C@H](C)C1	ZINC001106031280	864904987	/nfs/dbraw/zinc/90/49/87/864904987.db2.gz	ZSLPMICUSIANFK-BRWVUGGUSA-N	1	0	356.532	1.545	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]CCCC2CCOCC2)[C@H](C)C1	ZINC001106034798	864915155	/nfs/dbraw/zinc/91/51/55/864915155.db2.gz	MJDVQYGSEJYCBI-SJLPKXTDSA-N	1	0	363.502	1.017	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccoc2)C[C@H]1C	ZINC001106043804	864962974	/nfs/dbraw/zinc/96/29/74/864962974.db2.gz	WXMOAAIHAZDTKX-SJLPKXTDSA-N	1	0	361.486	1.931	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106055221	865041093	/nfs/dbraw/zinc/04/10/93/865041093.db2.gz	RHDITSKMGNBXTI-GDBMZVCRSA-N	1	0	371.412	1.467	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)CCc2ncc[nH]2)C[C@H]1C	ZINC001106061527	865081579	/nfs/dbraw/zinc/08/15/79/865081579.db2.gz	GZCZKTCUIUFWMP-DGCLKSJQSA-N	1	0	355.280	1.935	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nc(C3CCC3)no2)[C@H](C)C1	ZINC001106065135	865104901	/nfs/dbraw/zinc/10/49/01/865104901.db2.gz	QTODMVWIZBBNMB-MUKKUYKPSA-N	1	0	362.474	1.848	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CCn2c(C)csc2=O)[C@H](C)C1	ZINC001106064499	865107455	/nfs/dbraw/zinc/10/74/55/865107455.db2.gz	AGCBLLVWNAYSGT-DDUZABMNSA-N	1	0	367.515	1.229	20	30		FDEDRO
COc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[C@H]3CCC(=O)N3)[C@H]2C)cc1C#N	ZINC001088916646	865425953	/nfs/dbraw/zinc/42/59/53/865425953.db2.gz	ZQWFFKLIMRGWIB-XYPHTWIQSA-N	1	0	370.453	1.315	20	30		FDEDRO
COc1ccc(-c2n[nH]cc2C[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1	ZINC000172124457	865463734	/nfs/dbraw/zinc/46/37/34/865463734.db2.gz	FYEKXOYWXSGOQY-HNENSFHCSA-N	1	0	367.409	1.701	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C[NH2+]CC#Cc1ccccc1Cl	ZINC001106076250	865489793	/nfs/dbraw/zinc/48/97/93/865489793.db2.gz	UIEULHRDWHLRNU-GDBMZVCRSA-N	1	0	371.872	1.818	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)COc2ccsc2)C[C@H]1C	ZINC001106880927	881906535	/nfs/dbraw/zinc/90/65/35/881906535.db2.gz	RCPKUAQOYFRVOY-QLFBSQMISA-N	1	0	365.499	1.502	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3n[nH]nc3C2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088977859	865854284	/nfs/dbraw/zinc/85/42/84/865854284.db2.gz	QPIGBBVUCHSTLA-XYPHTWIQSA-N	1	0	364.453	1.560	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2cccc(C#N)c2)C1	ZINC001098180713	865870293	/nfs/dbraw/zinc/87/02/93/865870293.db2.gz	LQXYZUNVGHXIHU-AXUOBQJMSA-N	1	0	366.465	1.648	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCCOc2ccccc2)C[C@H]1OC	ZINC001212193363	865943773	/nfs/dbraw/zinc/94/37/73/865943773.db2.gz	DDPHHJFHSSAGOX-GGPKGHCWSA-N	1	0	362.470	1.598	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C[C@H]3CCc4ncnn43)[C@@H]2C)nc1	ZINC001088990510	865948969	/nfs/dbraw/zinc/94/89/69/865948969.db2.gz	APPPWWUPWYVWFC-BMFZPTHFSA-N	1	0	350.426	1.035	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCc2scnc2C)C[C@H]1OC	ZINC001212194418	866086518	/nfs/dbraw/zinc/08/65/18/866086518.db2.gz	RTVAOPJXKHVCEN-CPUCHLNUSA-N	1	0	353.488	1.137	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cncc(C(N)=O)c2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001089045812	866278706	/nfs/dbraw/zinc/27/87/06/866278706.db2.gz	IPOVFQIRQFSFRB-ACJLOTCBSA-N	1	0	363.421	1.445	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3cccnc3OC)[C@@H]2C)CC1	ZINC001089060037	866390723	/nfs/dbraw/zinc/39/07/23/866390723.db2.gz	PFXXDMBCIMUGKJ-APWZRJJASA-N	1	0	370.497	1.514	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cccc(C(N)=O)n2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001089067053	866455769	/nfs/dbraw/zinc/45/57/69/866455769.db2.gz	NPZMZBGTMOMZIB-CJNGLKHVSA-N	1	0	363.421	1.445	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1	ZINC000991982696	866795760	/nfs/dbraw/zinc/79/57/60/866795760.db2.gz	RAONEIPBHWOQJW-KSZLIROESA-N	1	0	361.486	1.027	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc(C(N)=O)ccn2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001089090708	866836922	/nfs/dbraw/zinc/83/69/22/866836922.db2.gz	DXYFQKSPTVETSC-DYVFJYSZSA-N	1	0	363.421	1.445	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(C(=O)CC[NH+]2CCCCC2)C1	ZINC000991987125	866840462	/nfs/dbraw/zinc/84/04/62/866840462.db2.gz	IUBDCMBWIAZERR-HKUYNNGSSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)CC[C@@H]2C1	ZINC000946776385	882077684	/nfs/dbraw/zinc/07/76/84/882077684.db2.gz	MPTQFNNFISZFKY-XWTMOSNGSA-N	1	0	363.502	1.369	20	30		FDEDRO
Cc1cc(C(=O)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)ncc1C#N	ZINC000457547409	867552082	/nfs/dbraw/zinc/55/20/82/867552082.db2.gz	VVIZKXUUADJPDV-UHFFFAOYSA-N	1	0	365.437	1.483	20	30		FDEDRO
CC[NH+]1CCN(C2CN(c3cc(C#N)c(Br)cn3)C2)CC1	ZINC001120962615	867674734	/nfs/dbraw/zinc/67/47/34/867674734.db2.gz	DSETYLPGVRIKCN-UHFFFAOYSA-N	1	0	350.264	1.542	20	30		FDEDRO
COCc1ccc(CNC(=O)CON=C(N)C[N@@H+]2CCCC[C@H]2C)cc1	ZINC000151531000	867983275	/nfs/dbraw/zinc/98/32/75/867983275.db2.gz	GDSHGLWCSBNIPQ-OAHLLOKOSA-N	1	0	362.474	1.612	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC(NC(=O)C23CC[NH+](CC2)C3)C1	ZINC000992154525	868047038	/nfs/dbraw/zinc/04/70/38/868047038.db2.gz	DHFKKPLEIRKXOA-BACDZXNISA-N	1	0	361.486	1.074	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](C[NH2+]CC[C@H]2CCS(=O)(=O)C2)[C@H](C)C1	ZINC001106099366	868048664	/nfs/dbraw/zinc/04/86/64/868048664.db2.gz	GRACSGVMNJOMEW-IXDOHACOSA-N	1	0	354.516	1.155	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCCC1)CC2	ZINC000992184783	868216331	/nfs/dbraw/zinc/21/63/31/868216331.db2.gz	XNTCJAMXHNZADW-YZLZLFLDSA-N	1	0	361.486	1.313	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H](C[NH2+]CC#Cc3ccc(F)cc3)[C@H](C)C2)[nH]1	ZINC001106107441	868247830	/nfs/dbraw/zinc/24/78/30/868247830.db2.gz	AJFJDPVHOSMDLD-RHSMWYFYSA-N	1	0	369.444	1.531	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3nncn3C)C[C@H]2CC1	ZINC000946786035	882171403	/nfs/dbraw/zinc/17/14/03/882171403.db2.gz	BGECEETVOORUIU-TWMKSMIVSA-N	1	0	359.474	1.077	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C[NH2+]CC(=O)NC[C@H]1CCCO1	ZINC001106109591	868299911	/nfs/dbraw/zinc/29/99/11/868299911.db2.gz	OLZPHPKNDCZDSH-BRWVUGGUSA-N	1	0	363.502	1.015	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ncc(Cl)n2C)[C@H](C)C1	ZINC001106110677	868380564	/nfs/dbraw/zinc/38/05/64/868380564.db2.gz	CEQBMFYCJJXZGG-HZSPNIEDSA-N	1	0	352.866	1.296	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cc(C#N)ccc2F)[C@H](C)C1	ZINC001106111461	868390402	/nfs/dbraw/zinc/39/04/02/868390402.db2.gz	MTTFCWBWUHEFQS-IIDMSEBBSA-N	1	0	357.429	1.920	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C(N)=O)c2)[C@H](C)C1	ZINC001106111765	868393812	/nfs/dbraw/zinc/39/38/12/868393812.db2.gz	RHGWJFXTNBGZLR-RVKKMQEKSA-N	1	0	357.454	1.008	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)[C@H](C)C1	ZINC001106112000	868397607	/nfs/dbraw/zinc/39/76/07/868397607.db2.gz	VITNBWBJHPCVQS-QLFBSQMISA-N	1	0	361.490	1.325	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2csc(COC)n2)[C@H](C)C1	ZINC001106112265	868399478	/nfs/dbraw/zinc/39/94/78/868399478.db2.gz	ZWTCROJMTVEFEA-QLFBSQMISA-N	1	0	365.499	1.512	20	30		FDEDRO
COCCO[C@@H]1COCC[C@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000463276693	868428274	/nfs/dbraw/zinc/42/82/74/868428274.db2.gz	ANINPNIIYUIOGZ-NHCUHLMSSA-N	1	0	373.497	1.933	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nc(C(C)C)ns2)[C@H](C)C1	ZINC001106116466	868570887	/nfs/dbraw/zinc/57/08/87/868570887.db2.gz	CZSHEBGXZJBZCU-RBSFLKMASA-N	1	0	364.515	1.884	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C(C)C)s2)[C@H](C)C1	ZINC001106116714	868578633	/nfs/dbraw/zinc/57/86/33/868578633.db2.gz	LJPCRAFNOWSUDB-RBSFLKMASA-N	1	0	364.515	1.884	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)NCC[N@H+](C)Cc1ccccc1	ZINC000929667933	868788160	/nfs/dbraw/zinc/78/81/60/868788160.db2.gz	XZPKKTNVQHPWNK-UHFFFAOYSA-N	1	0	370.478	1.826	20	30		FDEDRO
N#Cc1ccc(N2C[C@H](C(=O)NC34CC[NH+](CC3)C4)CC2=O)cc1Cl	ZINC000913635194	869268105	/nfs/dbraw/zinc/26/81/05/869268105.db2.gz	UXPRFZJWHPXKFV-CYBMUJFWSA-N	1	0	358.829	1.529	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1	ZINC000994351319	882281194	/nfs/dbraw/zinc/28/11/94/882281194.db2.gz	JRDJZVVSEIZWEI-RHSMWYFYSA-N	1	0	350.422	1.572	20	30		FDEDRO
C[NH+](C)CC1(O)CCN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC1	ZINC000913680094	869367195	/nfs/dbraw/zinc/36/71/95/869367195.db2.gz	DONHSKZADCWWMW-SFHVURJKSA-N	1	0	356.470	1.442	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]2C(=O)N2CC[NH+](CCCCCO)CC2)cc1	ZINC000913691203	869430963	/nfs/dbraw/zinc/43/09/63/869430963.db2.gz	NROHACRMKBKDKS-FQEVSTJZSA-N	1	0	370.497	1.834	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC1=CC[N@H+](C)CC1	ZINC000272011313	869964805	/nfs/dbraw/zinc/96/48/05/869964805.db2.gz	TWXZCGXGEHKYLT-UHFFFAOYSA-N	1	0	352.442	1.529	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCc1ccc(C#N)cc1)C2	ZINC000914053168	870485458	/nfs/dbraw/zinc/48/54/58/870485458.db2.gz	QQBDNLFHJUXXPP-MLYOOKFZSA-N	1	0	356.470	1.837	20	30		FDEDRO
C#CC[C@@H](CO)NC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1	ZINC000914090048	870690752	/nfs/dbraw/zinc/69/07/52/870690752.db2.gz	XENWBDBNBLQLTQ-OALUTQOASA-N	1	0	358.486	1.049	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCOCC(F)F)C[C@H]1C	ZINC001106141385	871144510	/nfs/dbraw/zinc/14/45/10/871144510.db2.gz	CKEFTXZEDJXXEQ-HZSPNIEDSA-N	1	0	361.433	1.033	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2sccc2Cl)C[C@H]1C	ZINC001106160976	871505032	/nfs/dbraw/zinc/50/50/32/871505032.db2.gz	MDRQIJIOGBHVDP-FRRDWIJNSA-N	1	0	367.902	1.837	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C)nc1	ZINC000994389945	882520261	/nfs/dbraw/zinc/52/02/61/882520261.db2.gz	LLISOAONIGVDLQ-JOCBIADPSA-N	1	0	368.481	1.227	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nsc3ccccc32)C[C@H]1C	ZINC001106171495	871549556	/nfs/dbraw/zinc/54/95/56/871549556.db2.gz	ZVYWVXQXXNWYNP-ZIAGYGMSSA-N	1	0	370.478	1.343	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1	ZINC000914176358	871689456	/nfs/dbraw/zinc/68/94/56/871689456.db2.gz	FGFAHXOBXRPNJR-KRWDZBQOSA-N	1	0	374.489	1.507	20	30		FDEDRO
C[N@H+](CC(=O)N1C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@]2(C)C1)C1CCC1	ZINC000992741038	871727913	/nfs/dbraw/zinc/72/79/13/871727913.db2.gz	QLHPULMFGDDDLX-QRWLVFNGSA-N	1	0	369.469	1.291	20	30		FDEDRO
CC(C)[C@H](CNS(=O)(=O)Cc1csc(C#N)c1)N1CC[NH+](C)CC1	ZINC000914186874	871759207	/nfs/dbraw/zinc/75/92/07/871759207.db2.gz	AJXXTSSTXORZOF-INIZCTEOSA-N	1	0	370.544	1.311	20	30		FDEDRO
C#CCN(C(=O)N[C@@H](C)C1CCN(C(=O)OC)CC1)C1CC[NH+](C)CC1	ZINC000922067335	871764859	/nfs/dbraw/zinc/76/48/59/871764859.db2.gz	HZNIYFWJSFPGBY-HNNXBMFYSA-N	1	0	364.490	1.592	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)Cc2csc(C#N)c2)C1	ZINC000914214430	871840746	/nfs/dbraw/zinc/84/07/46/871840746.db2.gz	HPAPJYKBSNTEPV-OAHLLOKOSA-N	1	0	371.528	1.882	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)Cc1csc(C#N)c1	ZINC000914275364	872159468	/nfs/dbraw/zinc/15/94/68/872159468.db2.gz	NVCVXFWOYOAFMV-BMFZPTHFSA-N	1	0	369.512	1.633	20	30		FDEDRO
C[C@@H]1CN(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C[C@H](C)N1CC#N	ZINC000914299271	872231465	/nfs/dbraw/zinc/23/14/65/872231465.db2.gz	PMCIIMUJNDYFOD-SCTDSRPQSA-N	1	0	357.502	1.787	20	30		FDEDRO
C#CCN(C(=O)NCCN1CCc2sccc2C1)C1CC[NH+](C)CC1	ZINC000914328446	872378244	/nfs/dbraw/zinc/37/82/44/872378244.db2.gz	CNLNZJYMLKQIIV-UHFFFAOYSA-N	1	0	360.527	1.845	20	30		FDEDRO
C=CCC[C@H](C)N1CCn2ncc(CNC(=O)[C@H]3OCCO[C@H]3C)c2C1	ZINC001128387253	872510236	/nfs/dbraw/zinc/51/02/36/872510236.db2.gz	RNYXHDNCGAGHSC-MPGHIAIKSA-N	1	0	362.474	1.474	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(C(N)=O)c2)C1	ZINC001033498031	882628903	/nfs/dbraw/zinc/62/89/03/882628903.db2.gz	RQYLUJJVOHFUGH-QYZOEREBSA-N	1	0	371.481	1.799	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCCN2CCCC2=O)C1	ZINC001033500142	882634911	/nfs/dbraw/zinc/63/49/11/882634911.db2.gz	VNKFGNXWFNONJC-LNLFQRSKSA-N	1	0	363.502	1.513	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1	ZINC000423181387	872919967	/nfs/dbraw/zinc/91/99/67/872919967.db2.gz	CHXJJNPTMCNGEZ-HXUWFJFHSA-N	1	0	352.438	1.427	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NCCC)[C@H](C)C1	ZINC001106183832	873081789	/nfs/dbraw/zinc/08/17/89/873081789.db2.gz	QFWTXENRGXGGBY-HUUCEWRRSA-N	1	0	366.506	1.509	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1	ZINC000992890955	873118949	/nfs/dbraw/zinc/11/89/49/873118949.db2.gz	VKLHKZMMCHSTDS-WAOWUJCRSA-N	1	0	357.498	1.581	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCO[C@H](C)C2)[C@H](C)C1	ZINC001106185059	873158828	/nfs/dbraw/zinc/15/88/28/873158828.db2.gz	AFEOVFSQWGBHOU-BRWVUGGUSA-N	1	0	365.518	1.520	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@]3(C)C2)cc1	ZINC000992933332	873263003	/nfs/dbraw/zinc/26/30/03/873263003.db2.gz	CAQYEVXYFCXVQT-JQVVWYNYSA-N	1	0	365.477	1.540	20	30		FDEDRO
C=CCC[NH2+]C1(CNC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CCCCC1	ZINC001115634721	873362784	/nfs/dbraw/zinc/36/27/84/873362784.db2.gz	CFJMYZBPLLUEGU-CVEARBPZSA-N	1	0	351.491	1.784	20	30		FDEDRO
COC(OC)c1c(C#N)ccnc1-n1nc(-c2ccccc2)nc1CC[NH3+]	ZINC001168708276	873375108	/nfs/dbraw/zinc/37/51/08/873375108.db2.gz	NGISGTDLDUOFED-UHFFFAOYSA-N	1	0	364.409	1.994	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)C[C@]3(C)C2)C1	ZINC000992958065	873381108	/nfs/dbraw/zinc/38/11/08/873381108.db2.gz	DYGZBDBSVFUXSK-NPPFBWRTSA-N	1	0	371.525	1.991	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H](OCC)C(=C)C)C[C@H]1C	ZINC001106197134	873426467	/nfs/dbraw/zinc/42/64/67/873426467.db2.gz	HVTWVUNLVKWSBZ-ZACQAIPSSA-N	1	0	351.491	1.344	20	30		FDEDRO
CC(=O)N1CCN(CC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC000272203800	873565880	/nfs/dbraw/zinc/56/58/80/873565880.db2.gz	YUTIURWGUKCOSG-UHFFFAOYSA-N	1	0	366.469	1.212	20	30		FDEDRO
C[NH+](C)[C@@H](C(=O)N1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@]2(C)C1)C1CC1	ZINC000993022134	873718431	/nfs/dbraw/zinc/71/84/31/873718431.db2.gz	CEJAJCZZJFYQMR-MDYRTPRTSA-N	1	0	369.469	1.147	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnn(C(C)(C)C)c2C)C[C@H]1C	ZINC001106213334	873828530	/nfs/dbraw/zinc/82/85/30/873828530.db2.gz	MSTSQJAPFBANDB-NVXWUHKLSA-N	1	0	360.502	1.894	20	30		FDEDRO
CCOC(=O)c1cnc(-n2nc(-c3ccccc3)nc2CC[NH3+])c(C#N)c1	ZINC001168714541	873957721	/nfs/dbraw/zinc/95/77/21/873957721.db2.gz	WCIJZKHWKLOWGV-UHFFFAOYSA-N	1	0	362.393	1.879	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3ccn(C)c3)n[nH]2)C[C@H]1C	ZINC001106229808	874020611	/nfs/dbraw/zinc/02/06/11/874020611.db2.gz	HMRWHRCZRRALLT-NVXWUHKLSA-N	1	0	371.485	1.916	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nccc(C)n2)C1	ZINC001112351443	874063308	/nfs/dbraw/zinc/06/33/08/874063308.db2.gz	QMTFOFSTIANKOP-PXNSSMCTSA-N	1	0	356.470	1.543	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCn2ccnn2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001106240772	874084838	/nfs/dbraw/zinc/08/48/38/874084838.db2.gz	NLNOGTCEZFHBAE-VQIMIIECSA-N	1	0	366.469	1.814	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@]3(C)C2)c1	ZINC000993070037	874126720	/nfs/dbraw/zinc/12/67/20/874126720.db2.gz	CBPLVQNTBPXXNY-OPYAIIAOSA-N	1	0	368.481	1.324	20	30		FDEDRO
CC[C@H](C(=O)N1C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@]2(C)C1)[NH+](C)C	ZINC000993070229	874134242	/nfs/dbraw/zinc/13/42/42/874134242.db2.gz	FPUAGRVHZCZKSR-NRXGSXMXSA-N	1	0	357.458	1.147	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)COCC2CCCC2)C[C@H]1C	ZINC001106269862	874295450	/nfs/dbraw/zinc/29/54/50/874295450.db2.gz	GQBNBPRJSSORNH-SOLBZPMBSA-N	1	0	363.502	1.015	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCN(C)c3ccccc32)C[C@H]1C	ZINC001106270231	874299301	/nfs/dbraw/zinc/29/93/01/874299301.db2.gz	ZQUDVLDXJQJISD-GGPKGHCWSA-N	1	0	369.509	1.944	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cnc3[nH]ccc3c2)C[C@H]1C	ZINC001106285951	874443163	/nfs/dbraw/zinc/44/31/63/874443163.db2.gz	CNAHSVSAJDHZGK-CZUORRHYSA-N	1	0	355.442	1.114	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccc(F)cc2)[C@H](C)C1	ZINC001106291236	874537571	/nfs/dbraw/zinc/53/75/71/874537571.db2.gz	XEEUKWAWIKNDLN-CZUORRHYSA-N	1	0	370.428	1.912	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nc(C)sc2C)C[C@H]1C	ZINC001106303086	874640243	/nfs/dbraw/zinc/64/02/43/874640243.db2.gz	WRAHJOBRYAWNNK-BXUZGUMPSA-N	1	0	350.488	1.360	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(F)CCCC2)C[C@H]1C	ZINC001106349832	874867229	/nfs/dbraw/zinc/86/72/29/874867229.db2.gz	RNAMZFKPZDWPQZ-HZPDHXFCSA-N	1	0	366.481	1.715	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C2CCC(C(N)=O)CC2)C[C@H]1C	ZINC001106355127	874885513	/nfs/dbraw/zinc/88/55/13/874885513.db2.gz	GOCKKXZWHLPJGH-RDHHWEPZSA-N	1	0	351.491	1.165	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1C	ZINC001106357128	874893013	/nfs/dbraw/zinc/89/30/13/874893013.db2.gz	UMLKTIFVFFMAOR-RAIGVLPGSA-N	1	0	358.280	1.105	20	30		FDEDRO
N#CCSCC(=O)N[C@@H]1C[N@@H+](CCCCCF)C[C@@H]1n1ccnn1	ZINC001128723990	882877294	/nfs/dbraw/zinc/87/72/94/882877294.db2.gz	OTNQLDBGMPYKJM-KGLIPLIRSA-N	1	0	354.455	1.016	20	30		FDEDRO
CC[S@@](=O)CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000741419182	874930332	/nfs/dbraw/zinc/93/03/32/874930332.db2.gz	RIOOZGFDZKKSGE-XMMPIXPASA-N	1	0	350.488	1.400	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2n[nH]c3ccc(C)cc32)C[C@H]1C	ZINC001106371347	874947056	/nfs/dbraw/zinc/94/70/56/874947056.db2.gz	XLXQZCVYAHUDNA-HZPDHXFCSA-N	1	0	354.454	1.819	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1C	ZINC001106370756	874957935	/nfs/dbraw/zinc/95/79/35/874957935.db2.gz	YRBMZGHISYUHBB-BXUZGUMPSA-N	1	0	368.275	1.592	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2coc(-c3cccnc3)n2)C[C@H]1C	ZINC001106378360	874989651	/nfs/dbraw/zinc/98/96/51/874989651.db2.gz	ODYVOELMRCMFLM-NVXWUHKLSA-N	1	0	368.437	1.684	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cn3ccc(C)cc3n2)C[C@H]1C	ZINC001106384772	875006335	/nfs/dbraw/zinc/00/63/35/875006335.db2.gz	RVTKAUGHXQUPAS-IAGOWNOFSA-N	1	0	354.454	1.590	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c(C)oc(C)c2C)C[C@H]1C	ZINC001106397092	875071544	/nfs/dbraw/zinc/07/15/44/875071544.db2.gz	FKJKPPCMVFOZRI-HACGYAERSA-N	1	0	359.470	1.640	20	30		FDEDRO
CN1CCN(c2cc[nH+]cc2NC(=O)C#Cc2ccc3c(c2)OCO3)CC1	ZINC000762060282	875111185	/nfs/dbraw/zinc/11/11/85/875111185.db2.gz	IKHCXEPHCCKJCT-UHFFFAOYSA-N	1	0	364.405	1.552	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cnc3c2CCCC3)C[C@H]1C	ZINC001106435592	875284586	/nfs/dbraw/zinc/28/45/86/875284586.db2.gz	PRUGEMLNCJJWRC-IAGOWNOFSA-N	1	0	358.486	1.096	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2cncc(C)c2)C[C@H]1C	ZINC001106482931	875597354	/nfs/dbraw/zinc/59/73/54/875597354.db2.gz	OSWNYZHMCQATPQ-JFIYKMOQSA-N	1	0	358.486	1.307	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2occ3c2CCC3)C[C@H]1C	ZINC001106479938	875607904	/nfs/dbraw/zinc/60/79/04/875607904.db2.gz	YNYYXVKKVWEIPR-IIAWOOMASA-N	1	0	359.470	1.757	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CC2)[C@H](C)C1	ZINC001106486042	875639423	/nfs/dbraw/zinc/63/94/23/875639423.db2.gz	KALASNVKLSBIJK-MDYRTPRTSA-N	1	0	365.518	1.426	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]Cc2cn(CC)nn2)[C@H](C)C1	ZINC001106486531	875642685	/nfs/dbraw/zinc/64/26/85/875642685.db2.gz	WNMUQBZUTWWHNS-MDZRGWNJSA-N	1	0	363.506	1.711	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C)nc2C2CC2)C[C@H]1C	ZINC001106488892	875655850	/nfs/dbraw/zinc/65/58/50/875655850.db2.gz	VPVOXVACTCDXQC-RHSMWYFYSA-N	1	0	368.481	1.315	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cccn3)nc2)C[C@H]1C	ZINC001106501776	875728331	/nfs/dbraw/zinc/72/83/31/875728331.db2.gz	DXLKPDLUHQWFHD-SJLPKXTDSA-N	1	0	369.469	1.768	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)Nc3ccon3)[C@H](C)C2)cc1	ZINC001106512571	875799973	/nfs/dbraw/zinc/79/99/73/875799973.db2.gz	PAYWJVLXXDDIGV-RHSMWYFYSA-N	1	0	366.421	1.592	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)NC3CC3)[C@H](C)C2)cc1	ZINC001106512633	875800233	/nfs/dbraw/zinc/80/02/33/875800233.db2.gz	PPYBUPUKSJMPTL-RVKKMQEKSA-N	1	0	353.466	1.633	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC[C@@H]2CCS(=O)(=O)C2)[C@H](C)C1	ZINC001106527444	875847869	/nfs/dbraw/zinc/84/78/69/875847869.db2.gz	UXKBUZCMIIFSLB-BZUAXINKSA-N	1	0	356.532	1.708	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@H](O)COC2CCOCC2)[C@H](C)C1	ZINC001106528509	875848831	/nfs/dbraw/zinc/84/88/31/875848831.db2.gz	BITIJGLPZJLRDC-ZACQAIPSSA-N	1	0	368.518	1.439	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NCCCC)[C@H](C)C1	ZINC001106531014	875863921	/nfs/dbraw/zinc/86/39/21/875863921.db2.gz	RPVISRGHBJVBSX-HUUCEWRRSA-N	1	0	366.506	1.509	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)COCC(C)C)[C@H](C)C1	ZINC001106556151	875945576	/nfs/dbraw/zinc/94/55/76/875945576.db2.gz	HWVOFALESZEODV-QRVBRYPASA-N	1	0	352.519	1.898	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCOCC2)[C@H](C)C1	ZINC001106563841	875962737	/nfs/dbraw/zinc/96/27/37/875962737.db2.gz	LZBZFHAUQYPQEE-BRWVUGGUSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCOCCOC	ZINC001099234022	875973634	/nfs/dbraw/zinc/97/36/34/875973634.db2.gz	GCCOQYUHPLJQSZ-KSZLIROESA-N	1	0	368.518	1.847	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCOCC2)[C@H](C)C1	ZINC001106567663	875976955	/nfs/dbraw/zinc/97/69/55/875976955.db2.gz	OUCPSAKHJIMKFO-BRWVUGGUSA-N	1	0	351.491	1.132	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCc3cccnc32)C[C@H]1C	ZINC001106571416	875985297	/nfs/dbraw/zinc/98/52/97/875985297.db2.gz	ZMZRNXFPJJIQCI-NXHRZFHOSA-N	1	0	370.497	1.488	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]c3cnccc23)C[C@H]1C	ZINC001106577260	876016495	/nfs/dbraw/zinc/01/64/95/876016495.db2.gz	GGPYEUFQZHVDJK-GDBMZVCRSA-N	1	0	369.469	1.092	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2nc(Cl)cs2)C[C@H]1C	ZINC001106581606	876026811	/nfs/dbraw/zinc/02/68/11/876026811.db2.gz	JANOXWCEZOYRAV-GRYCIOLGSA-N	1	0	370.906	1.785	20	30		FDEDRO
COC(=O)[C@@H](Nc1cnn(CCN2CCOCC2)c1)c1ccc(C#N)cc1	ZINC000762538790	876055803	/nfs/dbraw/zinc/05/58/03/876055803.db2.gz	NYBRGBKDORFVFA-SFHVURJKSA-N	1	0	369.425	1.413	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc3[nH]ccc3c2)C[C@H]1C	ZINC001106604519	876130054	/nfs/dbraw/zinc/13/00/54/876130054.db2.gz	SPKKEFXUYPYULS-IIDMSEBBSA-N	1	0	366.465	1.604	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NCCCC)[C@H](C)C1	ZINC001106612564	876173243	/nfs/dbraw/zinc/17/32/43/876173243.db2.gz	CLXTUSQAMJWDDL-HZPDHXFCSA-N	1	0	366.506	1.653	20	30		FDEDRO
Cc1ccc(CCCC(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)cc1	ZINC001106621319	876244165	/nfs/dbraw/zinc/24/41/65/876244165.db2.gz	DZWRNIHLMHWJPF-IEBWSBKVSA-N	1	0	370.497	1.642	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(C)CC=CC2)C[C@H]1C	ZINC001106623564	876257087	/nfs/dbraw/zinc/25/70/87/876257087.db2.gz	VFHZQRXTTJWNSP-HUUCEWRRSA-N	1	0	362.474	1.039	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)N1C(=O)CCC1=O)C2	ZINC001112380511	876269931	/nfs/dbraw/zinc/26/99/31/876269931.db2.gz	LGOFWNSDRXUTBY-GLJUWKHASA-N	1	0	367.877	1.495	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C[NH2+]CCOCCNC(C)=O)[C@H](C)C2)CC1	ZINC001106628852	876273586	/nfs/dbraw/zinc/27/35/86/876273586.db2.gz	XPPANKAJMKFTSV-VQIMIIECSA-N	1	0	365.518	1.570	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cnccn2)[C@H](C)C1	ZINC001106629867	876274447	/nfs/dbraw/zinc/27/44/47/876274447.db2.gz	VCCGPDIERUPZHY-SPYBWZPUSA-N	1	0	359.474	1.702	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(F)(F)F)[C@H](C)C1	ZINC001106629656	876279260	/nfs/dbraw/zinc/27/92/60/876279260.db2.gz	ROSSJYBSXVNOQA-IOASZLSFSA-N	1	0	363.424	1.951	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(CC)CC2)C[C@H]1C	ZINC001106635267	876309820	/nfs/dbraw/zinc/30/98/20/876309820.db2.gz	WAAMHECAQGRYCD-QLFBSQMISA-N	1	0	364.490	1.261	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC(F)(F)F)[C@H](C)C2)C1	ZINC001106647134	876380477	/nfs/dbraw/zinc/38/04/77/876380477.db2.gz	JAGQOGUASILKLC-CHWSQXEVSA-N	1	0	361.408	1.705	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]CCCO[C@H]3CCOC3)[C@H](C)C2)c1	ZINC001106650275	876387025	/nfs/dbraw/zinc/38/70/25/876387025.db2.gz	HHQKFRGSHXHTLB-AHRSYUTCSA-N	1	0	371.481	1.556	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)N(CC)CC)[C@H](C)C2)c1	ZINC001106650421	876387893	/nfs/dbraw/zinc/38/78/93/876387893.db2.gz	MZVDRVGAVUSQCA-GPMSIDNRSA-N	1	0	370.497	1.618	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(CF)CC2)C[C@H]1C	ZINC001106652796	876397062	/nfs/dbraw/zinc/39/70/62/876397062.db2.gz	JLSBAUYSQRYIRJ-HZPDHXFCSA-N	1	0	353.482	1.845	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccnc3c2ncn3C)C[C@H]1C	ZINC001106660518	876455870	/nfs/dbraw/zinc/45/58/70/876455870.db2.gz	QAWDAZASPCSWDG-HUUCEWRRSA-N	1	0	357.458	1.469	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc[nH]c2C2CCC2)C[C@H]1C	ZINC001106665287	876472764	/nfs/dbraw/zinc/47/27/64/876472764.db2.gz	QMKABMXWEARXKP-GDBMZVCRSA-N	1	0	358.486	1.882	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106678090	876528080	/nfs/dbraw/zinc/52/80/80/876528080.db2.gz	XXTKOWCFKANFIL-NVXWUHKLSA-N	1	0	369.444	1.612	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)C[C@H]1C	ZINC001106693231	876572346	/nfs/dbraw/zinc/57/23/46/876572346.db2.gz	XHSVCDIUVYEMHW-UMVBOHGHSA-N	1	0	359.474	1.276	20	30		FDEDRO
C[C@@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)CC(C)(C)C	ZINC001106695985	876594193	/nfs/dbraw/zinc/59/41/93/876594193.db2.gz	SCCOSIZOQVWNKZ-ARFHVFGLSA-N	1	0	350.507	1.773	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2c(=O)[nH]c3ccccc32)C[C@H]1C	ZINC001106701680	876617238	/nfs/dbraw/zinc/61/72/38/876617238.db2.gz	GJJMAWPRGPTNAY-HZPDHXFCSA-N	1	0	370.453	1.076	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)CC1	ZINC000917126122	883067995	/nfs/dbraw/zinc/06/79/95/883067995.db2.gz	NYHJUSFCDJAZJR-HNNXBMFYSA-N	1	0	374.872	1.793	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)C3CCCCC3)C[C@@H]2O)CC1	ZINC001083754576	883075246	/nfs/dbraw/zinc/07/52/46/883075246.db2.gz	XOYMLNFGZAIYOG-QRVBRYPASA-N	1	0	350.503	1.835	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCOCC)[C@H](C)C1	ZINC001106709214	876919066	/nfs/dbraw/zinc/91/90/66/876919066.db2.gz	YDXQUSBJFSNTRT-HZPDHXFCSA-N	1	0	353.507	1.426	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2nn(C)c(C)c2Cl)C[C@H]1C	ZINC001106713727	876922365	/nfs/dbraw/zinc/92/23/65/876922365.db2.gz	KXJIJKYOEDGISK-TZMCWYRMSA-N	1	0	354.882	1.882	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1C#N	ZINC000272291838	876931788	/nfs/dbraw/zinc/93/17/88/876931788.db2.gz	FIDRNWKCWDSBIE-PBHICJAKSA-N	1	0	370.453	1.837	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C(C)C)no2)C[C@H]1C	ZINC001106728986	877072166	/nfs/dbraw/zinc/07/21/66/877072166.db2.gz	BTCAOIWYGRXAKD-RBSFLKMASA-N	1	0	360.458	1.234	20	30		FDEDRO
C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)[C@H]3CCO[C@H]3C(=C)C)CC2)C1=O	ZINC001003787659	877218810	/nfs/dbraw/zinc/21/88/10/877218810.db2.gz	IIDZMKPNZCHSRZ-KSZLIROESA-N	1	0	361.486	1.335	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2cnc(Br)cn2)CC1	ZINC000917136715	883109811	/nfs/dbraw/zinc/10/98/11/883109811.db2.gz	HCVCTDVRGNBXTP-UHFFFAOYSA-N	1	0	354.252	1.689	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]CCOC2CCC2)[C@H](C)C1	ZINC001106733644	877274225	/nfs/dbraw/zinc/27/42/25/877274225.db2.gz	CTHVORDXIANSGM-SZVBFZGTSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]CC2CCOCC2)[C@H](C)C1	ZINC001106733806	877275484	/nfs/dbraw/zinc/27/54/84/877275484.db2.gz	HMKQGOYRYBBXFK-LZQZEXGQSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)C2	ZINC001112542214	877324593	/nfs/dbraw/zinc/32/45/93/877324593.db2.gz	LOLUWYKAVDNVRZ-BQFCYCMXSA-N	1	0	371.547	1.355	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]CCc3cnn(CC)c3)[C@H](C)C2)nn1	ZINC001106743435	877425575	/nfs/dbraw/zinc/42/55/75/877425575.db2.gz	KPFILYQUMGRKBX-NVXWUHKLSA-N	1	0	371.489	1.221	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2cc3n(n2)CCO3)[C@H](OC)C1	ZINC001212412622	912236933	/nfs/dbraw/zinc/23/69/33/912236933.db2.gz	YLBNTNZBOWXEHM-HZPDHXFCSA-N	1	0	350.463	1.675	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]CCOCCCC)[C@H](C)C2)nn1	ZINC001106749859	877505103	/nfs/dbraw/zinc/50/51/03/877505103.db2.gz	IKQHERSMGYSRAW-IAGOWNOFSA-N	1	0	363.506	1.969	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2csc(C(C)C)n2)C[C@H]1C	ZINC001106767564	877647937	/nfs/dbraw/zinc/64/79/37/877647937.db2.gz	IJVMPNNNGWCYNB-ZIAGYGMSSA-N	1	0	364.515	1.866	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)C4(CC)CC4)C[C@]3(C)C2)CC1	ZINC000993381857	877736306	/nfs/dbraw/zinc/73/63/06/877736306.db2.gz	NBEZOLYCGJVYIP-NQIIRXRSSA-N	1	0	371.525	1.829	20	30		FDEDRO
N#Cc1ccc(F)c(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)c1	ZINC000922343136	877800984	/nfs/dbraw/zinc/80/09/84/877800984.db2.gz	KERQENNOFUJXFO-INIZCTEOSA-N	1	0	360.433	1.224	20	30		FDEDRO
CCc1ccc(C#CC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)cc1	ZINC000922346388	877829882	/nfs/dbraw/zinc/82/98/82/877829882.db2.gz	SRHFHIHEYBJGQM-NRFANRHFSA-N	1	0	369.509	1.513	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C(F)(F)F	ZINC001099275188	878035915	/nfs/dbraw/zinc/03/59/15/878035915.db2.gz	BKKCDILDVYJWGR-YNEHKIRRSA-N	1	0	368.421	1.366	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(CC)CCOCC2)C[C@H]1C	ZINC001106808658	878101478	/nfs/dbraw/zinc/10/14/78/878101478.db2.gz	SEPOAXLWVIQEBW-BRWVUGGUSA-N	1	0	365.518	1.568	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@]3(C)C2)C1	ZINC000993438183	878197488	/nfs/dbraw/zinc/19/74/88/878197488.db2.gz	LUMGLQXHJNVRIT-PTSWNOGYSA-N	1	0	369.469	1.149	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(CCC)on2)C[C@H]1C	ZINC001106823514	878304909	/nfs/dbraw/zinc/30/49/09/878304909.db2.gz	KXBCKVAEEZKIKU-QLFBSQMISA-N	1	0	362.474	1.616	20	30		FDEDRO
Cc1onc(CC(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)c1C#N	ZINC000499887367	878414809	/nfs/dbraw/zinc/41/48/09/878414809.db2.gz	LVBMAIBZDJCKIP-UHFFFAOYSA-N	1	0	367.453	1.958	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2OC)CC1	ZINC000946585217	878667630	/nfs/dbraw/zinc/66/76/30/878667630.db2.gz	PLRURKYNBXSBNY-QZTJIDSGSA-N	1	0	363.502	1.417	20	30		FDEDRO
CO[C@]1(C[NH2+]Cc2cccc(OCCCC#N)c2)CCS(=O)(=O)C1	ZINC000922617013	878793960	/nfs/dbraw/zinc/79/39/60/878793960.db2.gz	WURVLSRUNNZABY-KRWDZBQOSA-N	1	0	352.456	1.662	20	30		FDEDRO
C#CCN(C(=O)NCc1ncn(-c2ccccc2)n1)C1CC[NH+](C)CC1	ZINC000922632349	878857419	/nfs/dbraw/zinc/85/74/19/878857419.db2.gz	FEFVPSLJVFWZKQ-UHFFFAOYSA-N	1	0	352.442	1.506	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC[C@@H]3C2)cc1	ZINC000946589025	878860890	/nfs/dbraw/zinc/86/08/90/878860890.db2.gz	APLMYEIDHGERSP-FCGDIQPGSA-N	1	0	368.437	1.894	20	30		FDEDRO
COc1ccc(C#N)cc1CN1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001033095082	878901607	/nfs/dbraw/zinc/90/16/07/878901607.db2.gz	PTIRJMYKWLOFRW-AYOQOUSVSA-N	1	0	370.497	1.940	20	30		FDEDRO
CCc1nc(C#N)cc(N2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1	ZINC001061471799	878988645	/nfs/dbraw/zinc/98/86/45/878988645.db2.gz	PTTNPCOYHSXQOD-FVQBIDKESA-N	1	0	356.474	1.336	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2nn(C)cc2Br)CC1	ZINC000922711123	879076618	/nfs/dbraw/zinc/07/66/18/879076618.db2.gz	QLSCQRJSRYOCTJ-UHFFFAOYSA-N	1	0	354.252	1.079	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)CC1	ZINC000922761979	879203359	/nfs/dbraw/zinc/20/33/59/879203359.db2.gz	GOHWYRMMYIORAJ-CVEARBPZSA-N	1	0	368.481	1.750	20	30		FDEDRO
C#Cc1cncc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)c1	ZINC001004393226	879324023	/nfs/dbraw/zinc/32/40/23/879324023.db2.gz	XSVXYLWOKMLSHS-KURKYZTESA-N	1	0	364.449	1.020	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCC2)N1CCN(c2cccc(OC)c2)CC1	ZINC000073757493	879399500	/nfs/dbraw/zinc/39/95/00/879399500.db2.gz	MPNPUIXVDZSUMT-UHFFFAOYSA-N	1	0	369.473	1.131	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)c2cccc(C[NH+](C)C)c2)C1	ZINC001004534921	879810455	/nfs/dbraw/zinc/81/04/55/879810455.db2.gz	ZPSDZNOPFDXEGR-MOPGFXCFSA-N	1	0	371.481	1.528	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC(=O)N(C)C)CC1	ZINC001004546770	879848322	/nfs/dbraw/zinc/84/83/22/879848322.db2.gz	LDSJECIOSDFDGJ-SQNIBIBYSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2OC)C1	ZINC000946635575	879958738	/nfs/dbraw/zinc/95/87/38/879958738.db2.gz	WWRJDRZJDTXQMY-IAGOWNOFSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3cccc(C)c3)C[C@@H]2O)nn1	ZINC001083843542	879962007	/nfs/dbraw/zinc/96/20/07/879962007.db2.gz	MRCXSOIZYROHNX-KYJSFNMBSA-N	1	0	355.442	1.309	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1	ZINC001004670774	880044411	/nfs/dbraw/zinc/04/44/11/880044411.db2.gz	BXAQNLMWEOTVIK-OLMNPRSZSA-N	1	0	354.454	1.066	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC000993907719	880111589	/nfs/dbraw/zinc/11/15/89/880111589.db2.gz	IWJRCFPIGIKLEL-MRRJBJDNSA-N	1	0	357.458	1.051	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC000993913222	880127923	/nfs/dbraw/zinc/12/79/23/880127923.db2.gz	UBAFPSYCENYPGW-INMHGKMJSA-N	1	0	371.485	1.585	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC000993921689	880158541	/nfs/dbraw/zinc/15/85/41/880158541.db2.gz	WAPMABFOVLXJLK-WBTNSWJXSA-N	1	0	371.485	1.441	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)c3[nH]ccc3C)[C@H](C)C2)CC1	ZINC000993948520	880238658	/nfs/dbraw/zinc/23/86/58/880238658.db2.gz	DKJXAAIDUIHFSI-SJLPKXTDSA-N	1	0	370.497	1.493	20	30		FDEDRO
C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)CC2(CCOCC2)C1	ZINC001089942165	912575625	/nfs/dbraw/zinc/57/56/25/912575625.db2.gz	QLPPXJDTRFUEHM-GBESFXJTSA-N	1	0	353.466	1.806	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)c3ccc(C)o3)C[C@H]2C)CC1	ZINC000994133329	880731175	/nfs/dbraw/zinc/73/11/75/880731175.db2.gz	AWCJDWMAAYATLG-CRAIPNDOSA-N	1	0	371.481	1.758	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1	ZINC000994136580	880896434	/nfs/dbraw/zinc/89/64/34/880896434.db2.gz	MOUFJXUTAWJRGY-OXQOHEQNSA-N	1	0	367.493	1.986	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)C(F)=C(C)C)C[C@H]2C)CC1	ZINC000994137283	880898733	/nfs/dbraw/zinc/89/87/33/880898733.db2.gz	SMIOGLDEPGMBDE-NVXWUHKLSA-N	1	0	363.477	1.806	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1C[NH2+]CC#Cc1ccccc1Cl	ZINC001106857757	881162160	/nfs/dbraw/zinc/16/21/60/881162160.db2.gz	HLFUUXHRKPOBCH-GDBMZVCRSA-N	1	0	371.872	1.736	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](CC)[NH+](C)C)nc1	ZINC001004743319	881195086	/nfs/dbraw/zinc/19/50/86/881195086.db2.gz	UIHCISYNHFQEOI-DDBAPUKQSA-N	1	0	354.454	1.265	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)NCCNc1ccc(C#N)cn1)Cc1ccccc1	ZINC000915900027	881212787	/nfs/dbraw/zinc/21/27/87/881212787.db2.gz	NWMAOOSCMVUBSS-SFHVURJKSA-N	1	0	366.469	1.837	20	30		FDEDRO
C=CC[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C(C)C	ZINC000917167056	883160156	/nfs/dbraw/zinc/16/01/56/883160156.db2.gz	QSIWTUXEGCHGQN-UHFFFAOYSA-N	1	0	365.499	1.416	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC/C=C\CC)C[C@@H]1n1ccnn1	ZINC001128786462	883577139	/nfs/dbraw/zinc/57/71/39/883577139.db2.gz	WDXRTMAVGWYXIA-UQUAGTSHSA-N	1	0	361.490	1.957	20	30		FDEDRO
CCN(C(=O)[C@H]1C[C@H]1C(=O)N(C)C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC001033957551	883588421	/nfs/dbraw/zinc/58/84/21/883588421.db2.gz	NBUBAAJNZWMQQV-QRVBRYPASA-N	1	0	368.481	1.705	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)CC(C)(C)C1	ZINC001089389315	883683609	/nfs/dbraw/zinc/68/36/09/883683609.db2.gz	ODNPAWVPZCEYOJ-ZACQAIPSSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ncnn2CC(C)C)C1	ZINC000999426812	912750886	/nfs/dbraw/zinc/75/08/86/912750886.db2.gz	DRQCLCBTRQKQBU-BACDZXNISA-N	1	0	361.490	1.604	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nnc(C)n2C2CC2)C1	ZINC000999429036	912753787	/nfs/dbraw/zinc/75/37/87/912753787.db2.gz	WFRUEJDKVCUDLH-BNICSPFPSA-N	1	0	359.474	1.592	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cc3n(n2)CCCC3)C1	ZINC000999429502	912755377	/nfs/dbraw/zinc/75/53/77/912755377.db2.gz	DERMQYVHEMGGCN-CTVCJKGISA-N	1	0	358.486	1.890	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](CC[C@@H](C)F)C[C@@H]1n1ccnn1	ZINC001128870443	883907169	/nfs/dbraw/zinc/90/71/69/883907169.db2.gz	SOPFPWSXAFSGQW-OAGGEKHMSA-N	1	0	353.442	1.351	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2nccn2CC)[C@@H](n2ccnn2)C1	ZINC001128934944	884153843	/nfs/dbraw/zinc/15/38/43/884153843.db2.gz	FRVZZOOVLNUQJK-SJORKVTESA-N	1	0	371.489	1.896	20	30		FDEDRO
C[C@H]1CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000498095365	884155994	/nfs/dbraw/zinc/15/59/94/884155994.db2.gz	QOECJZGZGOUVCN-YJBOKZPZSA-N	1	0	356.470	1.753	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]2C)c1	ZINC000994566937	884299843	/nfs/dbraw/zinc/29/98/43/884299843.db2.gz	AXYHODVAMQEEJH-NIKGAXFTSA-N	1	0	368.481	1.227	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2C)c1	ZINC000994568674	884345015	/nfs/dbraw/zinc/34/50/15/884345015.db2.gz	YZZBWTLKXKNQID-LZQZEXGQSA-N	1	0	368.481	1.372	20	30		FDEDRO
C[N@H+]1C[C@]2(C)CN(S(=O)(=O)Cc3ccc(C#N)cc3F)C[C@]2(C)C1	ZINC000918360767	884369451	/nfs/dbraw/zinc/36/94/51/884369451.db2.gz	VGTYNOKRAMXOCB-CALCHBBNSA-N	1	0	351.447	1.801	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](C)[NH+]2CCCCC2)cc1	ZINC000918373662	884382531	/nfs/dbraw/zinc/38/25/31/884382531.db2.gz	ISMFJVWXCVUQGZ-HNNXBMFYSA-N	1	0	365.499	1.755	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(c3cc(C)ncc3C#N)C2)CC[N@@H+]1C	ZINC001061757565	884473034	/nfs/dbraw/zinc/47/30/34/884473034.db2.gz	LMVXFHZVESYZIP-RYQLBKOJSA-N	1	0	355.486	1.935	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1	ZINC001128979805	884563313	/nfs/dbraw/zinc/56/33/13/884563313.db2.gz	ABXYALOVPIDMKC-SJORKVTESA-N	1	0	367.469	1.742	20	30		FDEDRO
CC(C)(C)C#CC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1n1ccnn1	ZINC001128980255	884570294	/nfs/dbraw/zinc/57/02/94/884570294.db2.gz	UUSOCIGRHDCNPH-ZACQAIPSSA-N	1	0	359.474	1.096	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC)C1	ZINC001112543361	884772892	/nfs/dbraw/zinc/77/28/92/884772892.db2.gz	VVCJNOMSMKQKBE-DUPRYPCISA-N	1	0	363.502	1.322	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCO[C@H]2C=C)[C@@H](n2ccnn2)C1	ZINC001128998772	884936830	/nfs/dbraw/zinc/93/68/30/884936830.db2.gz	HPNCUEMBQGEEGS-BDXSIMOUSA-N	1	0	359.474	1.567	20	30		FDEDRO
C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@H](C)N1CC#N	ZINC000918861598	884973770	/nfs/dbraw/zinc/97/37/70/884973770.db2.gz	NRTOXHINNWZWOD-JZXOWHBKSA-N	1	0	363.506	1.258	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@H](c2c(F)cccc2F)N(C)C)CC1	ZINC000918968719	885126813	/nfs/dbraw/zinc/12/68/13/885126813.db2.gz	AXQVLKHRNVEXSP-QGZVFWFLSA-N	1	0	364.440	1.964	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCc3cccc(F)c3)C[C@@H]2O)nc1	ZINC001083968871	912913650	/nfs/dbraw/zinc/91/36/50/912913650.db2.gz	IRXQASSTDDMPBL-UXHICEINSA-N	1	0	367.424	1.610	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](CCC3CC3)C[C@@H]2n2ccnn2)CCOCC1	ZINC001129043218	885518470	/nfs/dbraw/zinc/51/84/70/885518470.db2.gz	NHBJSERTJFTASL-MSOLQXFVSA-N	1	0	371.485	1.240	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCOCC(F)(F)F)[C@H](C)C2)nc1	ZINC001106894190	885702237	/nfs/dbraw/zinc/70/22/37/885702237.db2.gz	DVPICVUHCSCRQG-UKRRQHHQSA-N	1	0	369.387	1.940	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3nccn3C2)[C@@H](n2ccnn2)C1	ZINC001129084513	885709779	/nfs/dbraw/zinc/70/97/79/885709779.db2.gz	MPDVVDPEBAHQBT-ZACQAIPSSA-N	1	0	369.473	1.045	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc(C)c(C)cn2)[C@@H](n2ccnn2)C1	ZINC001129123058	885768954	/nfs/dbraw/zinc/76/89/54/885768954.db2.gz	ZDSIRSRUUJLXBK-MSOLQXFVSA-N	1	0	354.458	1.911	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)NC(C)(C)C)[C@H](C)C2)nc1	ZINC001106894816	885777497	/nfs/dbraw/zinc/77/74/97/885777497.db2.gz	WBWMHTCQLXLCMP-HLLBOEOZSA-N	1	0	370.497	1.664	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)c2cnn(C)c2)[C@@H](n2ccnn2)C1	ZINC001129127463	885816249	/nfs/dbraw/zinc/81/62/49/885816249.db2.gz	DEGAVDSYAPWUIW-UAGQMJEPSA-N	1	0	357.462	1.123	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cccc3c[nH]nc32)[C@@H](n2ccnn2)C1	ZINC001129139684	885842448	/nfs/dbraw/zinc/84/24/48/885842448.db2.gz	SFZFMJWPPMIBAY-SJORKVTESA-N	1	0	365.441	1.776	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(CCC)n[nH]2)[C@@H](n2ccnn2)C1	ZINC001129139546	885843220	/nfs/dbraw/zinc/84/32/20/885843220.db2.gz	MCICFCDLUCCNJJ-QGTPRVQTSA-N	1	0	371.489	1.964	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2ccc(C)n2)[C@@H](n2ccnn2)C1	ZINC001129147445	885874255	/nfs/dbraw/zinc/87/42/55/885874255.db2.gz	AKPCAYCLEHRUMA-KSZLIROESA-N	1	0	371.489	1.742	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CC[C@H](c3ccccc3)O2)C1=O	ZINC001127511065	885943270	/nfs/dbraw/zinc/94/32/70/885943270.db2.gz	MWKGVFCBJWYHAK-KURKYZTESA-N	1	0	357.454	1.399	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C	ZINC000670608118	886067564	/nfs/dbraw/zinc/06/75/64/886067564.db2.gz	MGFUENAYURSNSA-OTWHNJEPSA-N	1	0	373.497	1.373	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)C2CC3(CCC3)C2)[C@@H](n2ccnn2)C1	ZINC001129195064	886197404	/nfs/dbraw/zinc/19/74/04/886197404.db2.gz	PYNNHAGSXABNEV-SJORKVTESA-N	1	0	359.474	1.403	20	30		FDEDRO
COc1ccc(CN2C[C@@H](NC(=O)c3ccn(C)c3C)[C@@H](O)C2)cc1C#N	ZINC001083759724	886218909	/nfs/dbraw/zinc/21/89/09/886218909.db2.gz	KFLDFOZAHVFFEE-MSOLQXFVSA-N	1	0	368.437	1.189	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1	ZINC000919824750	886220144	/nfs/dbraw/zinc/22/01/44/886220144.db2.gz	CLLJABYIPKZUPV-QGZVFWFLSA-N	1	0	374.872	1.842	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1CN(Cc2cncc(C)c2)C[C@@H]1n1ccnn1	ZINC001129214802	886585830	/nfs/dbraw/zinc/58/58/30/886585830.db2.gz	MYPZHPKVDGVLOY-MSOLQXFVSA-N	1	0	354.458	1.880	20	30		FDEDRO
CC1CCC([NH+]2CCN(C(=O)CCNC(=O)C3N=CC=CC3=O)CC2)CC1	ZINC000174894540	886715879	/nfs/dbraw/zinc/71/58/79/886715879.db2.gz	AUKUVXARAAHQRX-VXPUYCOJSA-N	1	0	374.485	1.626	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)CC1(CC#N)CC1)C2	ZINC000920273578	886796554	/nfs/dbraw/zinc/79/65/54/886796554.db2.gz	INYZPIMXVFMDCE-AIANPOQGSA-N	1	0	355.504	1.079	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccnc(C#N)n2)CC[N@@H+]1C	ZINC001062046683	886937347	/nfs/dbraw/zinc/93/73/47/886937347.db2.gz	KVSKRKAVMJWJDY-XUWVNRHRSA-N	1	0	354.458	1.258	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C3(C)CCCC3)on2)CC1	ZINC000434920362	887155449	/nfs/dbraw/zinc/15/54/49/887155449.db2.gz	FHPVWDFMWOEEFR-UHFFFAOYSA-N	1	0	360.458	2.211	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(Cc2cn(C)nc2C(F)F)C1	ZINC001031680386	887348698	/nfs/dbraw/zinc/34/86/98/887348698.db2.gz	BXCPYUZDGKLMSG-CABCVRRESA-N	1	0	368.428	1.887	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](C[C@@H](O)C2CCCCC2)C1	ZINC001031680880	887359400	/nfs/dbraw/zinc/35/94/00/887359400.db2.gz	UORJLZKLMCIENL-QRVBRYPASA-N	1	0	350.503	1.957	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)Nc2ncn(C(C)(C)C)n2)CC1	ZINC000329758855	887646073	/nfs/dbraw/zinc/64/60/73/887646073.db2.gz	OEBZGXNBRXNMAD-UHFFFAOYSA-N	1	0	372.477	1.706	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccc(NCC4CC4)nc3)CC2)C1=O	ZINC000329054623	887653734	/nfs/dbraw/zinc/65/37/34/887653734.db2.gz	ASUBSSNWDXOBTI-QGZVFWFLSA-N	1	0	371.485	1.903	20	30		FDEDRO
CN1CCc2ncnc(NCC3CC[NH+](CC(=O)NC(C)(C)C)CC3)c2C1	ZINC000330362879	887659835	/nfs/dbraw/zinc/65/98/35/887659835.db2.gz	ZZSWRYMFYMMHSC-UHFFFAOYSA-N	1	0	374.533	2.343	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)NCCNc3cc[nH+]cc3)n2)c(F)c1	ZINC000498766312	887661546	/nfs/dbraw/zinc/66/15/46/887661546.db2.gz	PUFVDKBJWQVADE-UHFFFAOYSA-N	1	0	365.372	1.934	20	30		FDEDRO
C[C@H]1[C@@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[N@@H+]1C	ZINC000923090751	888001579	/nfs/dbraw/zinc/00/15/79/888001579.db2.gz	DWPRIAPSMBNYDI-KXBFYZLASA-N	1	0	355.486	1.914	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCCCC(F)(F)F)C[C@H]1OC	ZINC001212257941	888073331	/nfs/dbraw/zinc/07/33/31/888073331.db2.gz	KPSHVWAASYCICZ-MGPQQGTHSA-N	1	0	350.381	1.573	20	30		FDEDRO
C#CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)C1CC[NH+](C)CC1	ZINC000923190666	888319953	/nfs/dbraw/zinc/31/99/53/888319953.db2.gz	IIWURIVSJFLAEW-HSZRJFAPSA-N	1	0	353.410	1.036	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C)C1CCOCC1	ZINC000923326441	888919274	/nfs/dbraw/zinc/91/92/74/888919274.db2.gz	ZHBQCECHTCYEHM-ZWKOTPCHSA-N	1	0	363.502	1.700	20	30		FDEDRO
C[NH+]=C(NCCc1cn(C)c2cc(C)ccc12)NCCN1CCOCC1	ZINC000187143904	888938523	/nfs/dbraw/zinc/93/85/23/888938523.db2.gz	HGXLGVQJBLXCAJ-UHFFFAOYSA-N	1	0	357.502	1.526	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000938606281	888944297	/nfs/dbraw/zinc/94/42/97/888944297.db2.gz	ROGJUVQCEIHCNW-NSISKUIASA-N	1	0	367.493	1.610	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1	ZINC000938670774	889074420	/nfs/dbraw/zinc/07/44/20/889074420.db2.gz	CCQNTAXXMQCCKY-KURKYZTESA-N	1	0	363.502	1.513	20	30		FDEDRO
N#Cc1cnccc1CN1CC[NH2+]CCN(Cc2ccncc2C#N)CC1	ZINC000923395031	889115291	/nfs/dbraw/zinc/11/52/91/889115291.db2.gz	OSOBNHHUJGGNGP-UHFFFAOYSA-N	1	0	361.453	1.127	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCN(C)S1(=O)=O)C2	ZINC001112543549	889361261	/nfs/dbraw/zinc/36/12/61/889361261.db2.gz	HMUJCMSTDMFPCP-BQFCYCMXSA-N	1	0	369.531	1.205	20	30		FDEDRO
C[C@@H](Nc1ccn(C2CC[NH+](C)CC2)n1)C(=O)NC1(C#N)CCCCC1	ZINC000377499096	889585237	/nfs/dbraw/zinc/58/52/37/889585237.db2.gz	BLWDVDYXVZDAFM-OAHLLOKOSA-N	1	0	358.490	2.293	20	30		FDEDRO
C[C@@H]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)[C@@H](C[NH3+])C1	ZINC000415451532	889621893	/nfs/dbraw/zinc/62/18/93/889621893.db2.gz	XKGAZVQYJSAGSH-CHWSQXEVSA-N	1	0	356.405	2.474	20	30		FDEDRO
C[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C[C@@]1(C)C[NH3+]	ZINC000415467505	889637504	/nfs/dbraw/zinc/63/75/04/889637504.db2.gz	VLTDEAQFRXMWRS-KZULUSFZSA-N	1	0	356.405	2.332	20	30		FDEDRO
CC(C)(C)OC[C@H]([NH3+])C(=O)NCc1nc(-c2cc(F)cc(C#N)c2)no1	ZINC001212290736	889765477	/nfs/dbraw/zinc/76/54/77/889765477.db2.gz	STDUQCDXLYAFNO-ZDUSSCGKSA-N	1	0	361.377	1.506	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)C1	ZINC000923555282	889771439	/nfs/dbraw/zinc/77/14/39/889771439.db2.gz	UHCGAOOWEQYGFJ-CVEARBPZSA-N	1	0	366.506	1.045	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)cc2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106911660	889794608	/nfs/dbraw/zinc/79/46/08/889794608.db2.gz	CYRJDKYMRFFVNA-NVXWUHKLSA-N	1	0	370.497	1.922	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCCN2C(=O)CC)[C@H](OC)C1	ZINC001212309244	890029091	/nfs/dbraw/zinc/02/90/91/890029091.db2.gz	QKAORJIHOXSZQN-BRWVUGGUSA-N	1	0	351.491	1.559	20	30		FDEDRO
C=CCOc1ccc(-c2noc([C@H](N)CN3CCC([NH3+])CC3)n2)c(F)c1	ZINC001212315550	890038391	/nfs/dbraw/zinc/03/83/91/890038391.db2.gz	YQAHZZLVPXYGDK-MRXNPFEDSA-N	1	0	361.421	1.863	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(OC)cc2)C[C@H]1C	ZINC001106912728	890151028	/nfs/dbraw/zinc/15/10/28/890151028.db2.gz	QVYBSLCLAQKAMB-HLLBOEOZSA-N	1	0	359.470	1.684	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)NCC(C)C)C[C@H]1OC	ZINC001212332818	890221461	/nfs/dbraw/zinc/22/14/61/890221461.db2.gz	MGHPSKNZHSWTNB-ARFHVFGLSA-N	1	0	353.507	1.565	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c1	ZINC000249504077	890372720	/nfs/dbraw/zinc/37/27/20/890372720.db2.gz	JUZUIBPBZWOJQC-OALUTQOASA-N	1	0	372.513	1.937	20	30		FDEDRO
CCc1nc(C#N)cc(N2CCCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001063240773	890375720	/nfs/dbraw/zinc/37/57/20/890375720.db2.gz	FKAXLMCOFKWJQI-HLLBOEOZSA-N	1	0	370.501	1.726	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1CN(CC(=O)N(CC)C2CC2)C[C@H]1OC	ZINC001212340863	890455918	/nfs/dbraw/zinc/45/59/18/890455918.db2.gz	RUFTVJXGEYGMQD-HZPDHXFCSA-N	1	0	351.491	1.415	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC(CCNc3ccnc(C#N)n3)CC2)CC[N@@H+]1C	ZINC001063341699	890476602	/nfs/dbraw/zinc/47/66/02/890476602.db2.gz	NBNYRWJQJSPYKT-GDBMZVCRSA-N	1	0	356.474	1.151	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000939330239	890498077	/nfs/dbraw/zinc/49/80/77/890498077.db2.gz	PQASYPJZBUHUOL-XJIUQZFPSA-N	1	0	357.458	1.193	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)Cc3ccco3)C2)CC1	ZINC000939411783	890614127	/nfs/dbraw/zinc/61/41/27/890614127.db2.gz	MCXPEHGVDQYLFX-CRAIPNDOSA-N	1	0	357.454	1.130	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](CCn2nc(C)cc2C)CC1	ZINC001001851459	891451716	/nfs/dbraw/zinc/45/17/16/891451716.db2.gz	LXAXNBYTAIIACE-MOPGFXCFSA-N	1	0	360.502	1.919	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC[NH+]([C@H](C)C(=O)N(C)C)CC1	ZINC001001933730	891684794	/nfs/dbraw/zinc/68/47/94/891684794.db2.gz	GWFWZYJXFGPOFX-PVAVHDDUSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CC[NH+]([C@@H](C)C(=O)NC)CC1	ZINC001001935378	891691552	/nfs/dbraw/zinc/69/15/52/891691552.db2.gz	YUDOCJIGSXZPNH-XIRDDKMYSA-N	1	0	351.491	1.320	20	30		FDEDRO
Cn1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(OCC#N)cc4)C[C@H]32)cn1	ZINC001084179453	913591781	/nfs/dbraw/zinc/59/17/81/913591781.db2.gz	NUZLQTFSBMOAQY-VQIMIIECSA-N	1	0	365.437	1.669	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2nc3ncc(C)cn3n2)[C@H](OC)C1	ZINC001212444233	891932329	/nfs/dbraw/zinc/93/23/29/891932329.db2.gz	KPRQAOHBGAAIPS-RRFJBIMHSA-N	1	0	358.446	1.216	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3CC34CCCC4)C2)CC1	ZINC000940194134	891974287	/nfs/dbraw/zinc/97/42/87/891974287.db2.gz	YCGJKWAVUUYSDZ-BHIYHBOVSA-N	1	0	371.525	1.875	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)c2ccc3c[nH+]cn3c2)C1	ZINC001002233034	892226778	/nfs/dbraw/zinc/22/67/78/892226778.db2.gz	HHEYVQQVLCMOQU-MSOLQXFVSA-N	1	0	368.437	1.504	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1	ZINC001002224945	892267914	/nfs/dbraw/zinc/26/79/14/892267914.db2.gz	WXBJAVMARXQXHW-SQNIBIBYSA-N	1	0	363.502	1.415	20	30		FDEDRO
C[C@@H]1[C@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1C	ZINC000921870999	892347622	/nfs/dbraw/zinc/34/76/22/892347622.db2.gz	PBRTVIGXHDSGLR-KBRIMQKVSA-N	1	0	355.442	1.445	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1C	ZINC000921871001	892348066	/nfs/dbraw/zinc/34/80/66/892348066.db2.gz	PBRTVIGXHDSGLR-XOKHGSTOSA-N	1	0	355.442	1.445	20	30		FDEDRO
Cc1nc[nH]c1CC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1	ZINC001106922456	892594292	/nfs/dbraw/zinc/59/42/92/892594292.db2.gz	DIPFXTDNXBSTMT-VQIMIIECSA-N	1	0	350.466	1.996	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]CCN2CCCC2=O)[C@H](C)C1	ZINC001106923051	892598577	/nfs/dbraw/zinc/59/85/77/892598577.db2.gz	ZRKKOUHHKISZFW-YLJYHZDGSA-N	1	0	367.493	1.517	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)CCc2cncn2C)C[C@H]1C	ZINC001106937432	893079056	/nfs/dbraw/zinc/07/90/56/893079056.db2.gz	ZFOUZUMRTFPSOQ-TZMCWYRMSA-N	1	0	369.307	1.945	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](Cc3ccncc3)C2)CC1	ZINC000672355469	893175188	/nfs/dbraw/zinc/17/51/88/893175188.db2.gz	MLDIKZCXGWGQGA-QGZVFWFLSA-N	1	0	356.470	1.239	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCOC3(CCCCC3)C2)CC1	ZINC000672357143	893180224	/nfs/dbraw/zinc/18/02/24/893180224.db2.gz	RJEVNLJQOBMKGB-UHFFFAOYSA-N	1	0	363.502	1.705	20	30		FDEDRO
C#CCN(C(=O)NCc1ccc2c(c1)C(=O)NCC2)C1CC[NH+](C)CC1	ZINC000921939897	893182711	/nfs/dbraw/zinc/18/27/11/893182711.db2.gz	HGEMMFFQTKMUPE-UHFFFAOYSA-N	1	0	354.454	1.212	20	30		FDEDRO
C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1)[NH+]1CCCCCC1	ZINC001002591936	893333826	/nfs/dbraw/zinc/33/38/26/893333826.db2.gz	WLYZBXKLBYUKRK-AITUJVMLSA-N	1	0	357.498	1.912	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(C#N)[nH]2)CC1	ZINC001002601959	893365968	/nfs/dbraw/zinc/36/59/68/893365968.db2.gz	AXYGFKUHJLZZMW-NXHRZFHOSA-N	1	0	369.469	1.480	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(Cc3ccc(C#N)c(F)c3)C[C@H]21	ZINC001084231584	913777888	/nfs/dbraw/zinc/77/78/88/913777888.db2.gz	FAYOWWKAZKZEBF-BHIYHBOVSA-N	1	0	356.445	1.824	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CN(C(=O)CC[NH+](C)C)C2)CC1	ZINC001061120929	893563974	/nfs/dbraw/zinc/56/39/74/893563974.db2.gz	MXHUAIPIBIKXOT-SJORKVTESA-N	1	0	363.502	1.370	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCN2CCCC2=O)CC1(C)C	ZINC000941047042	893727941	/nfs/dbraw/zinc/72/79/41/893727941.db2.gz	TVKOWUISBKPAGZ-IXDOHACOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)[C@H](OC)C1	ZINC001212459152	893744446	/nfs/dbraw/zinc/74/44/46/893744446.db2.gz	ZIBUWKHFXUIMJF-SYQHCUMBSA-N	1	0	366.380	1.114	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)CC1(C)C	ZINC000941094051	893830201	/nfs/dbraw/zinc/83/02/01/893830201.db2.gz	WMVFQMVDBJMKFA-ZOBUZTSGSA-N	1	0	351.491	1.273	20	30		FDEDRO
COc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1C#N	ZINC001002784053	893941745	/nfs/dbraw/zinc/94/17/45/893941745.db2.gz	XXZYGQRIJJRHEO-HZPDHXFCSA-N	1	0	358.398	1.313	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2nc(OC)cc(OC)n2)[C@H](OC)C1	ZINC001212465844	894069386	/nfs/dbraw/zinc/06/93/86/894069386.db2.gz	YRMVPYXCGYHEAT-BFHYXJOUSA-N	1	0	364.446	1.278	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1	ZINC000941202590	894194448	/nfs/dbraw/zinc/19/44/48/894194448.db2.gz	FUVSMMTVKZMNDN-BZSNNMDCSA-N	1	0	363.502	1.513	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1	ZINC000941211497	894256586	/nfs/dbraw/zinc/25/65/86/894256586.db2.gz	FPCGHVHYZIIWQN-KURKYZTESA-N	1	0	363.502	1.370	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(Cl)s2)C[C@H]1C	ZINC001106952401	894319812	/nfs/dbraw/zinc/31/98/12/894319812.db2.gz	DXNXSLZBWGOQLZ-JHJVBQTASA-N	1	0	367.902	1.837	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[N@@H+](C[C@@H](O)c4ccc(F)cc4)C[C@H]32)c1	ZINC001084261677	913868564	/nfs/dbraw/zinc/86/85/64/913868564.db2.gz	SUWPZJKTYLMWMF-ATZDWAIDSA-N	1	0	368.412	1.905	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1	ZINC000922023911	894427611	/nfs/dbraw/zinc/42/76/11/894427611.db2.gz	MQUBMHWTDCQNAD-UHFFFAOYSA-N	1	0	367.427	1.322	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCC(=O)N2CCOCC2)C[C@H]1C	ZINC001106953641	894505223	/nfs/dbraw/zinc/50/52/23/894505223.db2.gz	XXOPTPZZNBNKNX-KZNAEPCWSA-N	1	0	365.518	1.664	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc2[nH]c(=O)sc2c1	ZINC000922025845	894536213	/nfs/dbraw/zinc/53/62/13/894536213.db2.gz	PDGODGPLUZFVDV-UHFFFAOYSA-N	1	0	365.480	1.720	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(F)cc(F)c2)C[C@H]1C	ZINC001106954681	894700027	/nfs/dbraw/zinc/70/00/27/894700027.db2.gz	HZQRGIYOSIBGSH-VNHYZAJKSA-N	1	0	365.424	1.953	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)NC(=O)c2ccccc2)C[C@H]1C	ZINC001106955383	894765089	/nfs/dbraw/zinc/76/50/89/894765089.db2.gz	CPOUCDITBDTYIL-ZIFCJYIRSA-N	1	0	371.481	1.139	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(C)c(C)c2)C[C@H]1C	ZINC001106956871	894940528	/nfs/dbraw/zinc/94/05/28/894940528.db2.gz	DQSPYRDQCYUWRH-IEBWSBKVSA-N	1	0	355.482	1.279	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C[NH2+]CC#Cc1ccccc1Cl	ZINC001106959923	895454443	/nfs/dbraw/zinc/45/44/43/895454443.db2.gz	XEKQJYDLVAJCAT-NVXWUHKLSA-N	1	0	371.872	1.667	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@H](OC)C2)C1	ZINC000941795811	895728656	/nfs/dbraw/zinc/72/86/56/895728656.db2.gz	OCLBVXVQLAOTME-BRWVUGGUSA-N	1	0	363.502	1.558	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)nn2)C1	ZINC000999998477	896547715	/nfs/dbraw/zinc/54/77/15/896547715.db2.gz	SJKLOGLRGDVHDS-BZUAXINKSA-N	1	0	355.446	1.244	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)[C@@H]2C1	ZINC001084340624	914095105	/nfs/dbraw/zinc/09/51/05/914095105.db2.gz	JJIVEOIGQPTBGL-HLLBOEOZSA-N	1	0	357.458	1.262	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CCCN(C)C(=O)C[N@H+]1CCC[C@H]1C	ZINC001067524822	896782946	/nfs/dbraw/zinc/78/29/46/896782946.db2.gz	QGNMJUWTFRBCIL-AOIWGVFYSA-N	1	0	365.518	1.759	20	30		FDEDRO
C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC2(CCOCC2)C1	ZINC001089947522	896811011	/nfs/dbraw/zinc/81/10/11/896811011.db2.gz	IWWCQEAFLXFUOX-QKDSSNGWSA-N	1	0	358.482	1.420	20	30		FDEDRO
C=CC[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)CC2(CCOCC2)C1	ZINC001089959308	897322067	/nfs/dbraw/zinc/32/20/67/897322067.db2.gz	HMTAPZTYJPNJKJ-BRWVUGGUSA-N	1	0	358.486	1.697	20	30		FDEDRO
C#CCC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3C3CC3)C2)n1	ZINC001128126019	897384038	/nfs/dbraw/zinc/38/40/38/897384038.db2.gz	JGRJSGPUZCFKKU-CEXWTWQISA-N	1	0	352.482	1.936	20	30		FDEDRO
CC#CC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@@H]3C[C@H]3C3CC3)C2)n1	ZINC001128126963	897389601	/nfs/dbraw/zinc/38/96/01/897389601.db2.gz	VCQKTVYCTGKEQE-GBESFXJTSA-N	1	0	352.482	1.936	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](C[C@H]2CCNC(=O)CC2)C1	ZINC001032040393	897582453	/nfs/dbraw/zinc/58/24/53/897582453.db2.gz	ALYQOKBPFBOHKX-AYBZRNKSSA-N	1	0	363.502	1.322	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106986804	897625662	/nfs/dbraw/zinc/62/56/62/897625662.db2.gz	GXOJYVOHYMMQLR-CRAIPNDOSA-N	1	0	364.449	1.463	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1	ZINC000995267890	897653121	/nfs/dbraw/zinc/65/31/21/897653121.db2.gz	QMAHPFIMZXNIRV-IPMKNSEASA-N	1	0	363.465	1.892	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCc3ccc(CC)cc3)C[C@H]2O)nc1	ZINC001078031124	897667267	/nfs/dbraw/zinc/66/72/67/897667267.db2.gz	CQQKOIDGGGCEHH-NHCUHLMSSA-N	1	0	363.461	1.643	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(CC)C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000942731221	897700037	/nfs/dbraw/zinc/70/00/37/897700037.db2.gz	VDIQERSDVFFQRS-SOLBZPMBSA-N	1	0	371.485	1.680	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C	ZINC001212436738	897837607	/nfs/dbraw/zinc/83/76/07/897837607.db2.gz	HLYRUBZHSADZNL-ZACQAIPSSA-N	1	0	364.515	1.521	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cncc(OC)n1)C2	ZINC001112540950	897957533	/nfs/dbraw/zinc/95/75/33/897957533.db2.gz	YCEOVFNFXMZAHV-KXBFYZLASA-N	1	0	360.458	1.520	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccnc(-n3ccnc3)c2)C[C@H]1C	ZINC001106994766	898273962	/nfs/dbraw/zinc/27/39/62/898273962.db2.gz	RDILRDQNICWPBY-SJLPKXTDSA-N	1	0	369.469	1.768	20	30		FDEDRO
CC1(C)[C@H](OCc2ccccc2)C[C@@H]1NC(=[NH2+])NCCCN1CCOCC1	ZINC000184651291	898345142	/nfs/dbraw/zinc/34/51/42/898345142.db2.gz	GEDQDOLKKAGZFN-RBUKOAKNSA-N	1	0	374.529	1.997	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O	ZINC001078228420	898435040	/nfs/dbraw/zinc/43/50/40/898435040.db2.gz	QAYSTRQCTXBMLU-CEXWTWQISA-N	1	0	356.470	1.094	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O	ZINC001078228421	898435748	/nfs/dbraw/zinc/43/57/48/898435748.db2.gz	QAYSTRQCTXBMLU-GUDVDZBRSA-N	1	0	356.470	1.094	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2ccn(CC)n2)C1	ZINC001078473637	898805059	/nfs/dbraw/zinc/80/50/59/898805059.db2.gz	GNWLLXDJBYWYHX-KURKYZTESA-N	1	0	362.474	1.201	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2ocnc2C)C1	ZINC001078484124	898833984	/nfs/dbraw/zinc/83/39/84/898833984.db2.gz	ADGGJOMTSXLYNO-RYRKJORJSA-N	1	0	363.458	1.671	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2ccnn2C)C1	ZINC001078485778	898842636	/nfs/dbraw/zinc/84/26/36/898842636.db2.gz	GOJXYFUZKIZKSR-SQNIBIBYSA-N	1	0	362.474	1.108	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)OC)C[C@H]1C	ZINC001107002689	899160261	/nfs/dbraw/zinc/16/02/61/899160261.db2.gz	MJTOYOGTQATKIN-MISYRCLQSA-N	1	0	358.482	1.578	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)CCOC)C[C@H]1C	ZINC001107004437	899171553	/nfs/dbraw/zinc/17/15/53/899171553.db2.gz	KFMYFZKKERSQKM-BRWVUGGUSA-N	1	0	366.506	1.105	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2Cc3cccc(F)c3O2)C[C@H]1C	ZINC001107008747	899454958	/nfs/dbraw/zinc/45/49/58/899454958.db2.gz	XQLGGDFDVRKWHF-QGPMSJSTSA-N	1	0	360.429	1.463	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N2CCOCC2)C[C@H]1C	ZINC001107011729	899532894	/nfs/dbraw/zinc/53/28/94/899532894.db2.gz	PFXDGHBWBWCLDW-KBRIMQKVSA-N	1	0	355.910	1.534	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C=C)c2ccccc2)C[C@H]1C	ZINC001107017505	899552141	/nfs/dbraw/zinc/55/21/41/899552141.db2.gz	ABGSCMPZZORCBQ-QRQLOZEOSA-N	1	0	353.466	1.390	20	30		FDEDRO
C=C[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)c1ccccc1	ZINC001107019201	899562631	/nfs/dbraw/zinc/56/26/31/899562631.db2.gz	XABCRIZVQUNDNJ-NXHRZFHOSA-N	1	0	354.454	1.280	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(C)s2)C[C@H]1C	ZINC001107030526	899644829	/nfs/dbraw/zinc/64/48/29/899644829.db2.gz	KCOAJLVSISZPSN-FVQBIDKESA-N	1	0	363.527	1.974	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1	ZINC000944050922	899766088	/nfs/dbraw/zinc/76/60/88/899766088.db2.gz	QFCXENGSBVLZTB-ZTFGCOKTSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)[C@H](OC)C1	ZINC000944259161	900028171	/nfs/dbraw/zinc/02/81/71/900028171.db2.gz	AJTOIDMEAZDEBF-QINHECLXSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1	ZINC000944277275	900050734	/nfs/dbraw/zinc/05/07/34/900050734.db2.gz	IGGSGOLOSHAABZ-ZTFGCOKTSA-N	1	0	354.454	1.124	20	30		FDEDRO
Cc1ccc(C[C@H](C)C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)cc1	ZINC001107047981	900125997	/nfs/dbraw/zinc/12/59/97/900125997.db2.gz	BAFQATRPSRSVTF-YQVWRLOYSA-N	1	0	370.497	1.498	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CCc3ccccc32)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001107058579	900274387	/nfs/dbraw/zinc/27/43/87/900274387.db2.gz	PLZHQRNLXRNOJZ-CEQIKUNHSA-N	1	0	368.481	1.214	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+][C@@H]3CCCNC3=O)[C@H](C)C2)CCCCC1	ZINC001107059236	900314297	/nfs/dbraw/zinc/31/42/97/900314297.db2.gz	ZFNJCZNDNLFJMA-KZNAEPCWSA-N	1	0	359.514	1.923	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)n2CCC)[C@H](C)C1	ZINC001107062374	900368871	/nfs/dbraw/zinc/36/88/71/900368871.db2.gz	IQWBOLPCMXWHMA-BFYDXBDKSA-N	1	0	363.506	1.772	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CCNC(=O)NC(C)(C)C)[C@H](C)C1	ZINC001107063116	900448188	/nfs/dbraw/zinc/44/81/88/900448188.db2.gz	BXQPFPFEQNLIOG-OWCLPIDISA-N	1	0	368.522	1.359	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CCCc2nc(C)no2)[C@H](C)C1	ZINC001107063157	900448288	/nfs/dbraw/zinc/44/82/88/900448288.db2.gz	DEOJPTXHTBXWOI-GDBMZVCRSA-N	1	0	350.463	1.587	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CCn2c(C)csc2=O)[C@H](C)C1	ZINC001107065071	900453710	/nfs/dbraw/zinc/45/37/10/900453710.db2.gz	DYJHZQKBTFJCNC-FVQBIDKESA-N	1	0	367.515	1.493	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CCC(C)C)NC(C)=O)C[C@H]1C	ZINC001107100413	900994781	/nfs/dbraw/zinc/99/47/81/900994781.db2.gz	YNJYNAVFUJOQMD-BHIYHBOVSA-N	1	0	367.534	1.814	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)CC[N@@H+](C)CC)CC1	ZINC001079080845	901028257	/nfs/dbraw/zinc/02/82/57/901028257.db2.gz	UTPZODAMIWEBGL-KSZLIROESA-N	1	0	365.518	1.759	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CCNc2ccnc(C#N)n2)CC[N@@H+]1C	ZINC001063852105	901166454	/nfs/dbraw/zinc/16/64/54/901166454.db2.gz	CCSKBRCAJAIQEN-OWCLPIDISA-N	1	0	356.474	1.293	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NC(=O)[C@@H](F)C[NH+](CC)CC)CCC1	ZINC001064584691	901438789	/nfs/dbraw/zinc/43/87/89/901438789.db2.gz	XHGWGKQBVJGBFK-PMPSAXMXSA-N	1	0	369.481	1.413	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H]3CCN(C(=O)CCC[NH+]4CCCC4)[C@@H]3C2)n1	ZINC001090318197	901641979	/nfs/dbraw/zinc/64/19/79/901641979.db2.gz	SZXIKTSALRKJOM-FUHWJXTLSA-N	1	0	368.485	1.570	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2CN(c3ccncc3C#N)C[C@H]21	ZINC001090341537	901765251	/nfs/dbraw/zinc/76/52/51/901765251.db2.gz	ZBALGAGMSDIIME-YXJHDRRASA-N	1	0	359.449	1.670	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001065186720	901904268	/nfs/dbraw/zinc/90/42/68/901904268.db2.gz	NTRQCYIHLABLLO-BPQIPLTHSA-N	1	0	363.502	1.439	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2c[nH]c(C#N)c2)C1	ZINC001079131262	901942481	/nfs/dbraw/zinc/94/24/81/901942481.db2.gz	JLGAYBSWZNXEHO-WOJBJXKFSA-N	1	0	362.433	1.597	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccc(C#N)[nH]2)C1	ZINC001079132589	901947085	/nfs/dbraw/zinc/94/70/85/901947085.db2.gz	VNRORRKVWOKXMW-WOJBJXKFSA-N	1	0	362.433	1.597	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccnnc2)C1	ZINC001079145152	901956091	/nfs/dbraw/zinc/95/60/91/901956091.db2.gz	UCEMUWVCVBKJLC-RTBURBONSA-N	1	0	352.438	1.740	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH2+]CCO)C2)c[nH]1	ZINC001079150255	901983343	/nfs/dbraw/zinc/98/33/43/901983343.db2.gz	JHFSRRDFPVMHIU-ZWKOTPCHSA-N	1	0	356.401	1.606	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[NH+](CCCCCNC(=O)CC)CC1	ZINC001079151626	901985312	/nfs/dbraw/zinc/98/53/12/901985312.db2.gz	CAMVBZGTGHYLNW-MSOLQXFVSA-N	1	0	365.518	1.808	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)CC[C@H]1c1ccc(F)cc1	ZINC001079153620	901989706	/nfs/dbraw/zinc/98/97/06/901989706.db2.gz	QQCBXMJEWUNVSM-FUHWJXTLSA-N	1	0	368.412	1.141	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCN(C)C2=O)C1	ZINC001079141696	902033469	/nfs/dbraw/zinc/03/34/69/902033469.db2.gz	SRTGSPAZNYKIGA-IPMKNSEASA-N	1	0	371.481	1.115	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)CC[C@H]1c1ccc(F)cc1	ZINC001079156769	902074994	/nfs/dbraw/zinc/07/49/94/902074994.db2.gz	GTEURAMKMFXAAE-DOTOQJQBSA-N	1	0	354.385	1.130	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)CC[C@H]1c1ccc(F)cc1	ZINC001079157001	902076455	/nfs/dbraw/zinc/07/64/55/902076455.db2.gz	TVBWPBBOYGTJLG-OKZBNKHCSA-N	1	0	359.445	1.764	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C)C2)C[C@H]1c1cccc(F)c1	ZINC001079202036	902103452	/nfs/dbraw/zinc/10/34/52/902103452.db2.gz	OKPHXUZKECICRH-AYOQOUSVSA-N	1	0	371.456	1.601	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(CC3CC3)nn2)C[C@H]1c1cccc(F)c1	ZINC001079206006	902110869	/nfs/dbraw/zinc/11/08/69/902110869.db2.gz	QHYRPODRWIWUQR-ZWKOTPCHSA-N	1	0	367.428	1.658	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCCCC(=O)N2)C[C@H]1c1cccc(F)c1	ZINC001079207149	902114606	/nfs/dbraw/zinc/11/46/06/902114606.db2.gz	QGGIJLWGMYZMOT-GBESFXJTSA-N	1	0	371.456	1.792	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CN(CC)CCO2)C[C@H]1c1cccc(F)c1	ZINC001079210844	902119214	/nfs/dbraw/zinc/11/92/14/902119214.db2.gz	DLXDGUMBSAYZTH-IPMKNSEASA-N	1	0	359.445	1.064	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)C2)C[C@H]1c1cccc(F)c1	ZINC001079210922	902120679	/nfs/dbraw/zinc/12/06/79/902120679.db2.gz	IOOPYORQNCYNBO-BPQIPLTHSA-N	1	0	357.429	1.211	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1c1cccc(F)c1	ZINC001079189805	902143141	/nfs/dbraw/zinc/14/31/41/902143141.db2.gz	ZZGFMCTYBVTBEM-RYQLBKOJSA-N	1	0	359.445	1.812	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCCC(=O)N2)C[C@H]1c1cccc(F)c1	ZINC001079190462	902145823	/nfs/dbraw/zinc/14/58/23/902145823.db2.gz	TXADFXYRKMAFRR-FGTMMUONSA-N	1	0	359.445	1.955	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)N2CCCCC2=O)C[C@H]1c1cccc(F)c1	ZINC001079211094	902146212	/nfs/dbraw/zinc/14/62/12/902146212.db2.gz	QMZVPUDVXDJUIR-AYOQOUSVSA-N	1	0	371.456	1.744	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccnc(OC)n2)C[C@H]1c1cccc(F)c1	ZINC001079191312	902147736	/nfs/dbraw/zinc/14/77/36/902147736.db2.gz	ITRICOBMTWGADX-DOTOQJQBSA-N	1	0	354.385	1.455	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(C)c(C)n[nH]c2=O)C[C@H]1c1cccc(F)c1	ZINC001079193419	902151311	/nfs/dbraw/zinc/15/13/11/902151311.db2.gz	BTMQFBFKMMPLDI-DLBZAZTESA-N	1	0	368.412	1.769	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2c(C)nn(C)c2C)C[C@H]1c1cccc(F)c1	ZINC001079193786	902154485	/nfs/dbraw/zinc/15/44/85/902154485.db2.gz	VMUBZZKIXPKAJH-VQTJNVASSA-N	1	0	368.456	1.936	20	30		FDEDRO
Cc1ncc(C[NH+]2CCC3(CN(C(=O)C#CC4CC4)[C@@H]4COC[C@@H]43)CC2)o1	ZINC001079240932	902190393	/nfs/dbraw/zinc/19/03/93/902190393.db2.gz	GEYDMOJJSBSTAI-RBUKOAKNSA-N	1	0	369.465	1.836	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)ccn2)C[C@H]1c1cccc(F)c1	ZINC001079212224	902197716	/nfs/dbraw/zinc/19/77/16/902197716.db2.gz	PPGYUZDTXCQWSH-FUHWJXTLSA-N	1	0	368.412	1.703	20	30		FDEDRO
Cc1nocc1C[NH+]1CCC2(CN(C(=O)[C@H](C)C#N)[C@@H]3COC[C@@H]32)CC1	ZINC001079228520	902243947	/nfs/dbraw/zinc/24/39/47/902243947.db2.gz	PDVCHAGLXQOSKO-XOKHGSTOSA-N	1	0	358.442	1.582	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cc4c([nH]3)CCOC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079244922	902251292	/nfs/dbraw/zinc/25/12/92/902251292.db2.gz	MWRKMHXXBBEISJ-QFBILLFUSA-N	1	0	371.481	1.826	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)Cc3cnccc3OC)[C@@H]3COC[C@@H]32)CC1	ZINC001079247304	902260983	/nfs/dbraw/zinc/26/09/83/902260983.db2.gz	WZNLPCJDIGUJJK-ZWKOTPCHSA-N	1	0	369.465	1.205	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC3(F)F)[C@@H]3COC[C@@H]32)CC1	ZINC001079247246	902261052	/nfs/dbraw/zinc/26/10/52/902261052.db2.gz	UHYXGWJJBRIKFV-OWCLPIDISA-N	1	0	352.425	1.994	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCc4cncn4C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079248026	902262470	/nfs/dbraw/zinc/26/24/70/902262470.db2.gz	CRZLAEICTCDYPI-NZSAHSFTSA-N	1	0	368.481	1.018	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)CCc3ccncc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079249918	902265287	/nfs/dbraw/zinc/26/52/87/902265287.db2.gz	BIIUYGPFCDCFSS-VQTJNVASSA-N	1	0	367.493	1.977	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc(Cl)n(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079251482	902273345	/nfs/dbraw/zinc/27/33/45/902273345.db2.gz	ZMLMRPBLFFJHHJ-DZGCQCFKSA-N	1	0	362.861	1.260	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CCNC3=O)[C@@H]3COC[C@@H]32)CC1	ZINC001079254790	902282794	/nfs/dbraw/zinc/28/27/94/902282794.db2.gz	VSOGXPLACUFXSD-YESZJQIVSA-N	1	0	361.486	1.028	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)CCn3ccnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079254849	902282882	/nfs/dbraw/zinc/28/28/82/902282882.db2.gz	ZASCFJMTOGASRD-ZWKOTPCHSA-N	1	0	356.470	1.236	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)Cc3ncccc3F)[C@@H]3COC[C@@H]32)CC1	ZINC001079257889	902289442	/nfs/dbraw/zinc/28/94/42/902289442.db2.gz	BSUIVELNHDSYRM-MAUKXSAKSA-N	1	0	359.445	1.889	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)[C@@H](C)c3cncnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079258066	902290529	/nfs/dbraw/zinc/29/05/29/902290529.db2.gz	LMIYSYYXPHYWNU-YTQUADARSA-N	1	0	368.481	1.543	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3Cc4ccncc4C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079259865	902296401	/nfs/dbraw/zinc/29/64/01/902296401.db2.gz	RWNJWHYJCVGRIB-YZGWKJHDSA-N	1	0	367.493	1.922	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ccnc(C4CC4)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079262796	902302017	/nfs/dbraw/zinc/30/20/17/902302017.db2.gz	BFTGRUCHBCLEND-FUHWJXTLSA-N	1	0	366.465	1.540	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ccc4c(c3)CCO4)[C@@H]3COC[C@@H]32)CC1	ZINC001079261801	902302608	/nfs/dbraw/zinc/30/26/08/902302608.db2.gz	JGSIUOFFEARCNV-RBUKOAKNSA-N	1	0	366.461	1.808	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)Cn3nccc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079264058	902308811	/nfs/dbraw/zinc/30/88/11/902308811.db2.gz	XPMOAQKCNNLILY-ZWKOTPCHSA-N	1	0	356.470	1.154	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3cn(CC)nc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079264063	902309080	/nfs/dbraw/zinc/30/90/80/902309080.db2.gz	XWPYDSNWNBKVLT-RBUKOAKNSA-N	1	0	370.497	1.788	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)COc3cccnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079265675	902314195	/nfs/dbraw/zinc/31/41/95/902314195.db2.gz	VVSCHWBBLUFOQI-RBUKOAKNSA-N	1	0	371.481	1.976	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCc4nc[nH]c4C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269199	902324425	/nfs/dbraw/zinc/32/44/25/902324425.db2.gz	MFGUVVSUAOTACK-TXPKVOOTSA-N	1	0	370.497	1.640	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3cnn4cc[nH]c34)[C@@H]3COC[C@@H]32)CC1	ZINC001079270912	902330981	/nfs/dbraw/zinc/33/09/81/902330981.db2.gz	BLCWFZSJKYESQO-DLBZAZTESA-N	1	0	369.469	1.792	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3cn4c(n3)CCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079243026	902339079	/nfs/dbraw/zinc/33/90/79/902339079.db2.gz	HGTYRYWIKNBUBS-FUHWJXTLSA-N	1	0	370.497	1.958	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn(CCF)c2)C[C@H]1c1ccccc1F	ZINC001079300850	902347920	/nfs/dbraw/zinc/34/79/20/902347920.db2.gz	TZMSZWDRPGBUGH-FUHWJXTLSA-N	1	0	358.392	1.823	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cc(CC)n(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079275697	902358742	/nfs/dbraw/zinc/35/87/42/902358742.db2.gz	SBAONOAYQRCSPX-FUHWJXTLSA-N	1	0	356.470	1.169	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCc2cnn(C)c2)C(C)(C)C1	ZINC000995835256	902366380	/nfs/dbraw/zinc/36/63/80/902366380.db2.gz	WLFKAXKKWKXCEV-FGTMMUONSA-N	1	0	360.502	1.770	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]([NH2+]CCN2CCCC2=O)C(C)(C)C1	ZINC000995835456	902366731	/nfs/dbraw/zinc/36/67/31/902366731.db2.gz	XODINVZUHITEAU-IKGGRYGDSA-N	1	0	363.502	1.417	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]Cc2ccnn2C)C1	ZINC001079286896	902382595	/nfs/dbraw/zinc/38/25/95/902382595.db2.gz	FVEOZJGDNINCKA-RPVQJOFSSA-N	1	0	355.417	1.803	20	30		FDEDRO
C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1c1ccccc1F	ZINC001079292155	902393236	/nfs/dbraw/zinc/39/32/36/902393236.db2.gz	CSQQAEBZUXQFCT-XLWVJDPXSA-N	1	0	356.401	1.604	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1c1ccccc1F)C(N)=O	ZINC001079292499	902393609	/nfs/dbraw/zinc/39/36/09/902393609.db2.gz	XUMHLLRHLKCDMQ-PZSREKOKSA-N	1	0	369.400	1.097	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1c1ccccc1F	ZINC001079295414	902398564	/nfs/dbraw/zinc/39/85/64/902398564.db2.gz	FZLLNYVPRSPEDH-AETAKHFUSA-N	1	0	357.429	1.258	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H](c2ccccc2F)[C@H]([NH2+][C@H]2CCCNC2=O)C1	ZINC001079295360	902399464	/nfs/dbraw/zinc/39/94/64/902399464.db2.gz	CAZOZWMMZDSZFR-YTQUADARSA-N	1	0	369.440	1.402	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C)C2)C[C@H]1c1ccccc1F	ZINC001079314788	902408881	/nfs/dbraw/zinc/40/88/81/902408881.db2.gz	LBVUMZXXNQTKSU-VDZJLULYSA-N	1	0	371.456	1.601	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(CC)n(C)n2)C[C@H]1c1ccccc1F	ZINC001079322865	902427411	/nfs/dbraw/zinc/42/74/11/902427411.db2.gz	AQPLSIFMEMFTDO-QFBILLFUSA-N	1	0	354.429	1.953	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1c1ccccc1F	ZINC001079307482	902440369	/nfs/dbraw/zinc/44/03/69/902440369.db2.gz	NDUGUOHDSDZUFK-CGTJXYLNSA-N	1	0	359.445	1.907	20	30		FDEDRO
C[NH+](C)[C@@H](C(=O)N1C[C@H]2CCN(Cc3cccc(C#N)c3)C[C@H]21)C1CC1	ZINC001084406709	914628019	/nfs/dbraw/zinc/62/80/19/914628019.db2.gz	WZOWGKFHTRNNDO-VAMGGRTRSA-N	1	0	352.482	1.931	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C[C@@H]3CCOC3)C2)cc1C#N	ZINC001079514505	902741922	/nfs/dbraw/zinc/74/19/22/902741922.db2.gz	SMZWQCGJDRJMMF-UWWQBHOKSA-N	1	0	357.454	1.930	20	30		FDEDRO
COc1cccc([C@H](O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)c1	ZINC001079581716	902837198	/nfs/dbraw/zinc/83/71/98/902837198.db2.gz	ZKUKYEJLNKIGLA-UPRAQXHNSA-N	1	0	368.437	1.679	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N(CCOC)C[C@@H](O)C(F)(F)F)CC1	ZINC000654431246	902972720	/nfs/dbraw/zinc/97/27/20/902972720.db2.gz	BSMDRLLTTGTNCP-CYBMUJFWSA-N	1	0	353.385	1.218	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CCC[NH+]2CCC3)[nH]1	ZINC000996097302	903076398	/nfs/dbraw/zinc/07/63/98/903076398.db2.gz	LNUPXIVILYNGOK-PVAVHDDUSA-N	1	0	367.453	1.376	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)Cc3ccncc3C)C2)C1=O	ZINC001079702611	903102384	/nfs/dbraw/zinc/10/23/84/903102384.db2.gz	RGLMTZCPLGMORC-KBAYOESNSA-N	1	0	356.470	1.156	20	30		FDEDRO
C[C@H]1CN(C(=O)COc2cccc(C#N)c2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000764067219	903362956	/nfs/dbraw/zinc/36/29/56/903362956.db2.gz	GUUVIRVENINNBP-QFBILLFUSA-N	1	0	356.470	1.421	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1CN(C(=O)CCCC[NH+](C)C)C1	ZINC001079855358	903520707	/nfs/dbraw/zinc/52/07/07/903520707.db2.gz	WUZHJCRFTUFFGK-HKUYNNGSSA-N	1	0	365.518	1.759	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2(C)C)cc1C#N	ZINC000996302984	903643523	/nfs/dbraw/zinc/64/35/23/903643523.db2.gz	CLRMLQUQIMJGLH-HLLBOEOZSA-N	1	0	370.453	1.015	20	30		FDEDRO
CC1(C)CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC000996302929	903644055	/nfs/dbraw/zinc/64/40/55/903644055.db2.gz	BNBBEXGAQMECSO-SQNIBIBYSA-N	1	0	368.481	1.786	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[C@@H]1CCN(C)C1=O	ZINC001079915946	903671411	/nfs/dbraw/zinc/67/14/11/903671411.db2.gz	UADOMMIUHNBBDE-FHLIZLRMSA-N	1	0	354.454	1.363	20	30		FDEDRO
C#CCC1(C(=O)N(CC)C2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CCC1	ZINC001079891890	903689357	/nfs/dbraw/zinc/68/93/57/903689357.db2.gz	QTCOZLVLLRQXTO-ZWKOTPCHSA-N	1	0	359.514	1.970	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1CCc2nccn2C1	ZINC001079991100	903815584	/nfs/dbraw/zinc/81/55/84/903815584.db2.gz	WAATUEGQUVPEHQ-AYOQOUSVSA-N	1	0	363.465	1.954	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3cccs3)CCC[C@@H]12	ZINC001107254811	904151894	/nfs/dbraw/zinc/15/18/94/904151894.db2.gz	BSKHUVBTJOKSIN-CRAIPNDOSA-N	1	0	360.483	1.291	20	30		FDEDRO
C=CCn1cccc1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2	ZINC000996567047	904213721	/nfs/dbraw/zinc/21/37/21/904213721.db2.gz	CEOBQRBMWOXWLO-IKGGRYGDSA-N	1	0	356.470	1.632	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)OCC)CCC[C@@H]12	ZINC001107306771	904399975	/nfs/dbraw/zinc/39/99/75/904399975.db2.gz	CXXHWGJFNHLUCN-GPMSIDNRSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCN(C)S(C)(=O)=O)CC2	ZINC001107327011	904481816	/nfs/dbraw/zinc/48/18/16/904481816.db2.gz	NTJDOATZHWUWLR-NVXWUHKLSA-N	1	0	357.520	1.205	20	30		FDEDRO
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C=CCOCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnnn1C)CC2	ZINC001107351124	904557546	/nfs/dbraw/zinc/55/75/46/904557546.db2.gz	ZZSFEFFWEJGGQD-IEBWSBKVSA-N	1	0	361.490	1.659	20	30		FDEDRO
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C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCC(C)C)CC2	ZINC001107374108	904604829	/nfs/dbraw/zinc/60/48/29/904604829.db2.gz	KFZMVUZXKRROMQ-YLJYHZDGSA-N	1	0	363.502	1.159	20	30		FDEDRO
CNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccc(C#N)s1)CC2	ZINC001107378657	904620972	/nfs/dbraw/zinc/62/09/72/904620972.db2.gz	GAOFIVZPZUHOKB-CRAIPNDOSA-N	1	0	360.483	1.617	20	30		FDEDRO
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C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)CCS(=O)(=O)NC)CCC[C@@H]12	ZINC001107402853	904741762	/nfs/dbraw/zinc/74/17/62/904741762.db2.gz	SKHDXMHERIAPBI-NVXWUHKLSA-N	1	0	357.520	1.253	20	30		FDEDRO
C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccn(CC)n1)CC2	ZINC001107404755	904748480	/nfs/dbraw/zinc/74/84/80/904748480.db2.gz	MCHZDWAJJMNQLF-UYAOXDASSA-N	1	0	358.486	1.804	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc(N(C)C)cn3)CCC[C@@H]12	ZINC001107408650	904767285	/nfs/dbraw/zinc/76/72/85/904767285.db2.gz	BTLCSRAOWNEDBJ-YLJYHZDGSA-N	1	0	371.485	1.167	20	30		FDEDRO
C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(C)C1CC1)CC2	ZINC001107401477	904777540	/nfs/dbraw/zinc/77/75/40/904777540.db2.gz	PRHITPNEOZICTQ-WRWLIDTKSA-N	1	0	361.486	1.006	20	30		FDEDRO
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C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2cn(CCOC)nc2C)[C@H](OC)C1	ZINC001081662020	904902246	/nfs/dbraw/zinc/90/22/46/904902246.db2.gz	JIJHUDYRRHFOES-IAGOWNOFSA-N	1	0	350.463	1.233	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@]3(C4CCCC4)CCNC3=O)CCC[C@@H]12	ZINC001107442378	904936229	/nfs/dbraw/zinc/93/62/29/904936229.db2.gz	DSRDVQYSCRXFLA-UIFIKXQLSA-N	1	0	357.498	1.677	20	30		FDEDRO
N#Cc1cccc(CNC(=O)CONC(=[NH2+])[C@H]2COc3ccccc3O2)c1	ZINC000764578582	905103329	/nfs/dbraw/zinc/10/33/29/905103329.db2.gz	PIPGBJROUOZMAQ-QGZVFWFLSA-N	1	0	366.377	1.513	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)CC(F)F)CCC[C@@H]12	ZINC001107474741	905128536	/nfs/dbraw/zinc/12/85/36/905128536.db2.gz	ABONXNORBKBDDD-PMUMKWKESA-N	1	0	355.429	1.388	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCNC(=O)CC3)CCC[C@@H]12	ZINC001107485284	905161343	/nfs/dbraw/zinc/16/13/43/905161343.db2.gz	SCROLSASNABELP-SQGPQFPESA-N	1	0	363.502	1.466	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(=O)NC)CC2	ZINC001107514606	905310782	/nfs/dbraw/zinc/31/07/82/905310782.db2.gz	OBMXAJWNBLJKBH-QMTMVMCOSA-N	1	0	364.490	1.405	20	30		FDEDRO
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C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2-n2cccc2)[C@H](OC)C1	ZINC001082008403	905536686	/nfs/dbraw/zinc/53/66/86/905536686.db2.gz	IBGMJXULFPIZFZ-IAGOWNOFSA-N	1	0	357.458	1.606	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]2OC)cc1	ZINC001082012721	905554464	/nfs/dbraw/zinc/55/44/64/905554464.db2.gz	GEIGQXFVRJOESE-QXAKKESOSA-N	1	0	369.465	1.013	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3(C(F)(F)F)CC3)CCC[C@@H]12	ZINC001107558521	905590218	/nfs/dbraw/zinc/59/02/18/905590218.db2.gz	XWWOOZRYYLFWNU-CZUORRHYSA-N	1	0	371.403	1.439	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)NS(C)(=O)=O)CCC[C@@H]12	ZINC001107558618	905611819	/nfs/dbraw/zinc/61/18/19/905611819.db2.gz	CLBWFZKXVXDMFL-GZBFAFLISA-N	1	0	363.911	1.037	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C4CC4)no3)CCC[C@@H]12	ZINC001107560266	905626820	/nfs/dbraw/zinc/62/68/20/905626820.db2.gz	DSOOMILSILIISK-YLJYHZDGSA-N	1	0	370.453	1.276	20	30		FDEDRO
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C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cnoc3CC)CCC[C@@H]12	ZINC001107560443	905631237	/nfs/dbraw/zinc/63/12/37/905631237.db2.gz	OXJJGLCCGBSTHC-VQIMIIECSA-N	1	0	360.458	1.514	20	30		FDEDRO
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C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cnn(CCOCC)c3)CCC[C@@H]12	ZINC001107588056	905845900	/nfs/dbraw/zinc/84/59/00/905845900.db2.gz	BSHINMHMANREKB-UYAOXDASSA-N	1	0	358.486	1.917	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H](C)n3cccn3)CCC[C@@H]12	ZINC001107601409	905914524	/nfs/dbraw/zinc/91/45/24/905914524.db2.gz	PPNRXWTWOGKBSE-NLWGTHIKSA-N	1	0	358.486	1.845	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CS(=O)(=O)C(C)(C)C)CCC[C@@H]12	ZINC001107609629	905963532	/nfs/dbraw/zinc/96/35/32/905963532.db2.gz	ZOFJXTJKEFUGCT-CRAIPNDOSA-N	1	0	354.516	1.584	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCOCCOC)CC3)nc1	ZINC001107610234	905969737	/nfs/dbraw/zinc/96/97/37/905969737.db2.gz	UHFDXBDFUPIIHS-TZIWHRDSSA-N	1	0	371.481	1.700	20	30		FDEDRO
C[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2)c1cccnc1	ZINC001107611806	905972924	/nfs/dbraw/zinc/97/29/24/905972924.db2.gz	DWDXGYMPYGSFGD-WRWLIDTKSA-N	1	0	369.469	1.186	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(F)cc3C)CCC[C@@H]12	ZINC001107614686	905999264	/nfs/dbraw/zinc/99/92/64/905999264.db2.gz	HOIIIWVLYHJGRD-WIYYLYMNSA-N	1	0	371.456	1.858	20	30		FDEDRO
C[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2)c1ccccc1	ZINC001107615054	905999373	/nfs/dbraw/zinc/99/93/73/905999373.db2.gz	SACYLXHFBWFKBZ-HGHGUNKESA-N	1	0	368.481	1.791	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)CS(=O)(=O)N(C)C)CCC[C@@H]12	ZINC001107623010	906027452	/nfs/dbraw/zinc/02/74/52/906027452.db2.gz	MUGSOCBWGIAJNH-NVXWUHKLSA-N	1	0	357.520	1.205	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CO[C@H](C)c3nccn3C)CCC[C@@H]12	ZINC001107621626	906064157	/nfs/dbraw/zinc/06/41/57/906064157.db2.gz	SNDAKOSENGHCGL-MBOZVWFJSA-N	1	0	358.486	1.882	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3nc4ncccn4n3)CCC[C@@H]12	ZINC001107631780	906079446	/nfs/dbraw/zinc/07/94/46/906079446.db2.gz	DVYITOZWZVKPAO-DNVCBOLYSA-N	1	0	354.458	1.604	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCS(=O)(=O)N3)CCC[C@@H]12	ZINC001107632917	906150358	/nfs/dbraw/zinc/15/03/58/906150358.db2.gz	FAFDLFUVMBSAMD-ZMSDIMECSA-N	1	0	355.504	1.005	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3ccc(C)nc3)CCC[C@@H]12	ZINC001107634271	906157912	/nfs/dbraw/zinc/15/79/12/906157912.db2.gz	SHDJMAODNJTQLK-WIYYLYMNSA-N	1	0	368.481	1.043	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CCC	ZINC001082195545	906157896	/nfs/dbraw/zinc/15/78/96/906157896.db2.gz	GGJHLDPNQSDVMS-KSZLIROESA-N	1	0	365.518	1.807	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCF)CC2	ZINC001107644621	906167813	/nfs/dbraw/zinc/16/78/13/906167813.db2.gz	BITUHQFQSBXBMX-DNVCBOLYSA-N	1	0	368.497	1.971	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCF)CC2	ZINC001107645057	906170226	/nfs/dbraw/zinc/17/02/26/906170226.db2.gz	MNTLFPCWPNQQSH-RDTXWAMCSA-N	1	0	354.470	1.581	20	30		FDEDRO
C=CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCOC)CC2	ZINC001107651366	906229611	/nfs/dbraw/zinc/22/96/11/906229611.db2.gz	YTOPBEPZAVDOTQ-ZHALLVOQSA-N	1	0	354.491	1.601	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnn(C)c3C3CC3)CCC[C@@H]12	ZINC001107654136	906244933	/nfs/dbraw/zinc/24/49/33/906244933.db2.gz	IBPVZUMIQUAPRS-WIYYLYMNSA-N	1	0	370.497	1.922	20	30		FDEDRO
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C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCC3CCCCC3)C[C@H]2OC)nn1	ZINC001082213293	906299219	/nfs/dbraw/zinc/29/92/19/906299219.db2.gz	URWJSOVQQDEHBA-SJLPKXTDSA-N	1	0	361.490	1.864	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)N[C@@H]2CN(Cc3ccc(C#N)s3)C[C@H]2O)C1	ZINC001077685486	906728253	/nfs/dbraw/zinc/72/82/53/906728253.db2.gz	UULURCOTXDZOIP-HZPDHXFCSA-N	1	0	362.499	1.013	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1OC	ZINC001082316556	906760400	/nfs/dbraw/zinc/76/04/00/906760400.db2.gz	WKKAHAQWFUWIDE-ZMSDIMECSA-N	1	0	361.442	1.112	20	30		FDEDRO
C=CCn1cccc1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2	ZINC000997017040	906942968	/nfs/dbraw/zinc/94/29/68/906942968.db2.gz	RYCLHZZLIBMLFD-DZVNLGKHSA-N	1	0	370.497	1.876	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CCS(=O)(=O)CC1)C2	ZINC001112539359	906998234	/nfs/dbraw/zinc/99/82/34/906998234.db2.gz	WJBNWVFEQYANIJ-WMZOPIPTSA-N	1	0	352.500	1.053	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1	ZINC000765438556	907125864	/nfs/dbraw/zinc/12/58/64/907125864.db2.gz	QQQYHLMDKACZIP-AWEZNQCLSA-N	1	0	366.462	1.117	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ncnn2CCF)CC1	ZINC000997081077	907202446	/nfs/dbraw/zinc/20/24/46/907202446.db2.gz	PWJSBNDRSUBADK-RDJZCZTQSA-N	1	0	365.453	1.309	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@H]3CCO[C@H]3C(=C)C)CC2)C1=O	ZINC000997081216	907203617	/nfs/dbraw/zinc/20/36/17/907203617.db2.gz	SVTLRIQCFSDFNO-KSZLIROESA-N	1	0	361.486	1.335	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nnnn2C(C)C)CC1	ZINC000997082440	907204973	/nfs/dbraw/zinc/20/49/73/907204973.db2.gz	BXCGCOLEJBDLLV-RDJZCZTQSA-N	1	0	362.478	1.316	20	30		FDEDRO
CN1CCC[C@H]([NH2+][C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2c2ccccc2)C1=O	ZINC001081114858	907214244	/nfs/dbraw/zinc/21/42/44/907214244.db2.gz	KFGNDTKCANABFK-SLFFLAALSA-N	1	0	365.477	1.605	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc3n2CCOC3)C[C@H]1c1ccccc1	ZINC001081128110	907225878	/nfs/dbraw/zinc/22/58/78/907225878.db2.gz	HBPPPADANLIFQU-DLBZAZTESA-N	1	0	350.422	1.244	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@H]1c1ccccc1	ZINC001081135469	907240859	/nfs/dbraw/zinc/24/08/59/907240859.db2.gz	YLGJRBWHMWULIK-ZWKOTPCHSA-N	1	0	362.495	1.581	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(CN(C)C)on2)C[C@H]1c1ccccc1	ZINC001081137874	907241866	/nfs/dbraw/zinc/24/18/66/907241866.db2.gz	TUPQPTKNHGKQKC-PKOBYXMFSA-N	1	0	352.438	1.567	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn([C@@H]3CCOC3)nn2)C[C@H]1c1ccccc1	ZINC001081208957	907315006	/nfs/dbraw/zinc/31/50/06/907315006.db2.gz	XBDXGYLGJWZEDQ-FGTMMUONSA-N	1	0	365.437	1.071	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCCN2C(=O)C(C)C)[C@H](OC)C1	ZINC001082382746	907368297	/nfs/dbraw/zinc/36/82/97/907368297.db2.gz	SEBBHGLENMHDMM-BRWVUGGUSA-N	1	0	351.491	1.415	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C)C2)C[C@H]1c1ccccc1	ZINC001081193120	907370091	/nfs/dbraw/zinc/37/00/91/907370091.db2.gz	JVOBWFZXPOHFIU-NZSAHSFTSA-N	1	0	353.466	1.462	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(CCC(F)(F)F)C[C@H]2OC)CC1	ZINC001082384204	907389013	/nfs/dbraw/zinc/38/90/13/907389013.db2.gz	ISYILVYRYIYIPG-HUUCEWRRSA-N	1	0	361.408	1.099	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082411986	907625928	/nfs/dbraw/zinc/62/59/28/907625928.db2.gz	QOCAETVUYZFJTE-RDTXWAMCSA-N	1	0	351.410	1.629	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(-c3ccccc3)n2C)C1	ZINC001082451094	907730813	/nfs/dbraw/zinc/73/08/13/907730813.db2.gz	PMMPVUOEVKZLLO-IIAWOOMASA-N	1	0	352.442	1.578	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082442660	907785445	/nfs/dbraw/zinc/78/54/45/907785445.db2.gz	PCPJUUORQJORHO-FZKQIMNGSA-N	1	0	355.417	1.610	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCOC2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082443224	907786839	/nfs/dbraw/zinc/78/68/39/907786839.db2.gz	SGOMTYZHBFOPPN-SZVBFZGTSA-N	1	0	357.454	1.952	20	30		FDEDRO
C[C@@H](C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1O)[NH+]1CCCCCC1	ZINC001077777638	907857163	/nfs/dbraw/zinc/85/71/63/907857163.db2.gz	ULSYQXGQJWFTME-PWIZWCRZSA-N	1	0	370.497	1.484	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082472688	907923438	/nfs/dbraw/zinc/92/34/38/907923438.db2.gz	XVPSKHRZMWHELW-HACGYAERSA-N	1	0	358.417	1.160	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082485957	907976705	/nfs/dbraw/zinc/97/67/05/907976705.db2.gz	NJKWNQHFBSAFQH-BDJLRTHQSA-N	1	0	356.405	1.263	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082485843	907976756	/nfs/dbraw/zinc/97/67/56/907976756.db2.gz	AWVVBMSLIPZRRD-BDJLRTHQSA-N	1	0	356.405	1.263	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)cc1	ZINC001082504900	908118137	/nfs/dbraw/zinc/11/81/37/908118137.db2.gz	RLVDSVIUTBBIQZ-RDTXWAMCSA-N	1	0	360.479	1.440	20	30		FDEDRO
Cc1cccn(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)s3)C2)c1=O	ZINC001082508917	908163832	/nfs/dbraw/zinc/16/38/32/908163832.db2.gz	CNZUIFLOZFPYDL-RHSMWYFYSA-N	1	0	370.478	1.727	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCOCC2)C1	ZINC001082533233	908297404	/nfs/dbraw/zinc/29/74/04/908297404.db2.gz	OZEATRAPHMMRFE-TZMCWYRMSA-N	1	0	357.882	1.060	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@]2(C)C=CCC2)CC1	ZINC000997356254	908310649	/nfs/dbraw/zinc/31/06/49/908310649.db2.gz	BOXOZSIXFMQPIL-MDPIYQRISA-N	1	0	369.509	1.936	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)/C=C(/C)C2CC2)CC1	ZINC000997356765	908312614	/nfs/dbraw/zinc/31/26/14/908312614.db2.gz	FSYPHLJDXGBNPG-RJTDPJOYSA-N	1	0	369.509	1.936	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC(C)C2)CC1	ZINC000997357462	908326771	/nfs/dbraw/zinc/32/67/71/908326771.db2.gz	LLXUVRZFRBXPOM-CORWQPHRSA-N	1	0	357.498	1.626	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cncs2)CC1	ZINC000997357985	908328751	/nfs/dbraw/zinc/32/87/51/908328751.db2.gz	SPCCNBVBVUBIQC-PMPSAXMXSA-N	1	0	372.494	1.350	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@]1(C)C[N@H+](CC2CCOCC2)CCO1	ZINC001107952538	908394365	/nfs/dbraw/zinc/39/43/65/908394365.db2.gz	GASWVGVUSBDQFP-WSTZPKSXSA-N	1	0	366.502	1.601	20	30		FDEDRO
COc1ccc(CNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1C#N	ZINC000921571156	908440603	/nfs/dbraw/zinc/44/06/03/908440603.db2.gz	DVSRBQVEQFAUIN-HOTGVXAUSA-N	1	0	360.483	1.946	20	30		FDEDRO
COc1nc(C)ncc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001082546337	908457802	/nfs/dbraw/zinc/45/78/02/908457802.db2.gz	NYEMDVBPOFLBJG-FZKQIMNGSA-N	1	0	365.437	1.916	20	30		FDEDRO
Cc1c(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)cnn1C	ZINC001082551795	908513161	/nfs/dbraw/zinc/51/31/61/908513161.db2.gz	CBUDYRDSLCMOGX-AUUYWEPGSA-N	1	0	351.454	1.779	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@]2(C3CCCC3)CCNC2=O)C[C@H]1C	ZINC001082571952	908569343	/nfs/dbraw/zinc/56/93/43/908569343.db2.gz	HLAHZXIVOGWQBU-CDHAZOANSA-N	1	0	353.894	1.872	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082562763	908645021	/nfs/dbraw/zinc/64/50/21/908645021.db2.gz	KFGRVTWLRRRKCS-SJKOYZFVSA-N	1	0	369.400	1.537	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082562825	908647117	/nfs/dbraw/zinc/64/71/17/908647117.db2.gz	OOYVSKTWRJZWOG-SJKOYZFVSA-N	1	0	369.400	1.537	20	30		FDEDRO
Cc1nn(C)cc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001082563969	908658715	/nfs/dbraw/zinc/65/87/15/908658715.db2.gz	MRPHWIHEFOUTRY-AUUYWEPGSA-N	1	0	351.454	1.779	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cnc3n2CCC3)C[C@H]1C	ZINC001082568100	908706620	/nfs/dbraw/zinc/70/66/20/908706620.db2.gz	XLIWDKVYKXZODE-ZYHUDNBSSA-N	1	0	353.264	1.788	20	30		FDEDRO
Cc1ncn(C)c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1	ZINC001082575827	908739799	/nfs/dbraw/zinc/73/97/99/908739799.db2.gz	CCGOLQBVGYXVRT-SJKOYZFVSA-N	1	0	355.417	1.990	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccc4cc[nH]c4n3)C[C@H]2C)C1=O	ZINC001082576358	908745367	/nfs/dbraw/zinc/74/53/67/908745367.db2.gz	DEUNYICNVDYWLI-KBRIMQKVSA-N	1	0	367.453	1.400	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CCN(C)C2=O)C[C@H]1C	ZINC001082581148	908785113	/nfs/dbraw/zinc/78/51/13/908785113.db2.gz	YAWFWSYVECRAQL-RAIGVLPGSA-N	1	0	358.280	1.200	20	30		FDEDRO
Cc1nc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)c(=O)[nH]c1C	ZINC001082585479	908899255	/nfs/dbraw/zinc/89/92/55/908899255.db2.gz	KOGRUARSZVOKFH-SJKOYZFVSA-N	1	0	365.437	1.509	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3nc(C)sc3C)C[C@H]2C)C1=O	ZINC001082586190	908906380	/nfs/dbraw/zinc/90/63/80/908906380.db2.gz	HHKFWLLBOQUYRH-KCPJHIHWSA-N	1	0	362.499	1.597	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCc3nccn3C2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082602972	908911316	/nfs/dbraw/zinc/91/13/16/908911316.db2.gz	CPOCUTGIZAUMPX-ATZDWAIDSA-N	1	0	363.465	1.954	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC(=O)NC3)C[C@H]2C)cc1C#N	ZINC001082610817	909002646	/nfs/dbraw/zinc/00/26/46/909002646.db2.gz	CXBGAUWQYBGSEO-UKPHBRMFSA-N	1	0	370.453	1.030	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CN(C)C(=O)C(C)C)[C@H](OC)C1	ZINC001212357264	909094150	/nfs/dbraw/zinc/09/41/50/909094150.db2.gz	DJVDQOLNCXHQJK-IAGOWNOFSA-N	1	0	353.507	1.663	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)Cc3ccc(C)cc3)C[C@H]2C)C1=O	ZINC001082625110	909107966	/nfs/dbraw/zinc/10/79/66/909107966.db2.gz	IIKOBNPUGOCBTO-BHIYHBOVSA-N	1	0	355.482	1.761	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](C1CC1)[NH+](C)C	ZINC000997550483	909145490	/nfs/dbraw/zinc/14/54/90/909145490.db2.gz	QMYSEXQOYUZLQV-DFEOGRTESA-N	1	0	370.497	1.876	20	30		FDEDRO
CC(=O)N1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1	ZINC001082627221	909152854	/nfs/dbraw/zinc/15/28/54/909152854.db2.gz	CYBYSRMSNQITPU-CDHQVMDDSA-N	1	0	368.481	1.753	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082628252	909158177	/nfs/dbraw/zinc/15/81/77/909158177.db2.gz	QYXMPIFYVJAEOF-ZTFGCOKTSA-N	1	0	369.469	1.285	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C2CC2)C[C@@H]1O	ZINC001083789902	909446247	/nfs/dbraw/zinc/44/62/47/909446247.db2.gz	DKWNIGAUADATEG-ZRNYENFQSA-N	1	0	356.466	1.816	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCc2ccccc2OC)C[C@@H]1O	ZINC001083790290	909519988	/nfs/dbraw/zinc/51/99/88/909519988.db2.gz	ZYOIKUKIVGSAPI-YRXWBPOGSA-N	1	0	374.481	1.380	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cccc4[nH]ncc43)C[C@H]2C)C1=O	ZINC001082676899	909544621	/nfs/dbraw/zinc/54/46/21/909544621.db2.gz	BCBRCSFGCKHUCC-JEBQAFNWSA-N	1	0	367.453	1.400	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cc2OC)C[C@H]1C	ZINC001082747439	909691919	/nfs/dbraw/zinc/69/19/19/909691919.db2.gz	SSYIELJLDZKHTD-BXKDBHETSA-N	1	0	370.247	1.755	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCc3nn[nH]c32)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082710359	909762459	/nfs/dbraw/zinc/76/24/59/909762459.db2.gz	QAVHGJCGOKPVRF-DJSGYFEHSA-N	1	0	370.482	1.794	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC[C@@H]3CCS(=O)(=O)C3)C2)CC1	ZINC001082722807	909833244	/nfs/dbraw/zinc/83/32/44/909833244.db2.gz	JBVXQDPCDOGJTE-JFIYKMOQSA-N	1	0	368.543	1.994	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@H](O)c3ccccc3F)C2)c1	ZINC001082730064	909862973	/nfs/dbraw/zinc/86/29/73/909862973.db2.gz	XSLZPVHCTSJTKG-XMCHAPAWSA-N	1	0	367.424	1.986	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C(N)=O)cc3)C2)c1	ZINC001082730001	909863311	/nfs/dbraw/zinc/86/33/11/909863311.db2.gz	UWXRCBNYSPLTMF-AUUYWEPGSA-N	1	0	362.433	1.412	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc4nonc4c3)C2)c1	ZINC001082730501	909866482	/nfs/dbraw/zinc/86/64/82/909866482.db2.gz	YEZSSJDZXFQNGK-BFUOFWGJSA-N	1	0	361.405	1.849	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H]3CCN(C4CCC4)C3=O)C2)c1	ZINC001082730506	909866584	/nfs/dbraw/zinc/86/65/84/909866584.db2.gz	YMEROMYSOGCCMZ-NIKGAXFTSA-N	1	0	366.465	1.266	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1C	ZINC001082744981	909967764	/nfs/dbraw/zinc/96/77/64/909967764.db2.gz	UBJNDXKVTYKFAR-FOUMNBMASA-N	1	0	358.280	1.056	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccccc2-c2cn[nH]c2)[C@H](OC)C1	ZINC001212382083	909976420	/nfs/dbraw/zinc/97/64/20/909976420.db2.gz	YOSLRWPGFMOQAJ-RTBURBONSA-N	1	0	370.453	1.708	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCCCCC2)C1	ZINC001082752226	909999773	/nfs/dbraw/zinc/99/97/73/909999773.db2.gz	YBTGJMUGLXUAKR-TVFCKZIOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1	ZINC000671802377	910059850	/nfs/dbraw/zinc/05/98/50/910059850.db2.gz	YJRQMDSJMKIBGA-UHFFFAOYSA-N	1	0	373.497	1.676	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C[C@H]1C	ZINC001082799230	910217529	/nfs/dbraw/zinc/21/75/29/910217529.db2.gz	CFJJGWYQLRIZCA-DTZQCDIJSA-N	1	0	352.866	1.477	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cn(CCC)nn2)C[C@H]1C	ZINC001082828752	910347644	/nfs/dbraw/zinc/34/76/44/910347644.db2.gz	DUMUCCOQRBYPEV-ZYHUDNBSSA-N	1	0	356.268	1.647	20	30		FDEDRO
CC(=O)N1CC[C@](C)(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1	ZINC001082847015	910427179	/nfs/dbraw/zinc/42/71/79/910427179.db2.gz	RITSQLGNXGZOCE-VMRPVKRXSA-N	1	0	368.481	1.753	20	30		FDEDRO
CC(=O)N1CC[C@](C)(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1	ZINC001082847031	910427900	/nfs/dbraw/zinc/42/79/00/910427900.db2.gz	RUHUIKFAJDFXNQ-VMRPVKRXSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccnn2C)C1	ZINC001082851208	910461484	/nfs/dbraw/zinc/46/14/84/910461484.db2.gz	WCJMEODRAASOJA-NVXWUHKLSA-N	1	0	369.469	1.673	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cn(CC)nn2)CC1	ZINC000998147837	910466883	/nfs/dbraw/zinc/46/68/83/910466883.db2.gz	HTVQFWNLIVVOGC-ROUUACIJSA-N	1	0	361.490	1.607	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OC)nc3)C2)nc1	ZINC001082869140	910511374	/nfs/dbraw/zinc/51/13/74/910511374.db2.gz	SGDHMQNQYRLRKY-RDTXWAMCSA-N	1	0	350.422	1.717	20	30		FDEDRO
C#CCC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@@H]1CCO[C@H]1CC)CC2	ZINC001128021291	910568513	/nfs/dbraw/zinc/56/85/13/910568513.db2.gz	XTPOLKKJFZNWQZ-XHSDSOJGSA-N	1	0	359.474	1.027	20	30		FDEDRO
Cc1ccc(=O)n(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)s3)C2)n1	ZINC001082874860	910573347	/nfs/dbraw/zinc/57/33/47/910573347.db2.gz	DBTSMUCATBQJAV-MLGOLLRUSA-N	1	0	371.466	1.122	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)Cc3ccc(OC)cc3)C[C@H]2C)C1=O	ZINC001082880517	910627080	/nfs/dbraw/zinc/62/70/80/910627080.db2.gz	GXTVRFKUUHFCKN-ATZDWAIDSA-N	1	0	371.481	1.461	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn3cc[nH]c23)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082883543	910653994	/nfs/dbraw/zinc/65/39/94/910653994.db2.gz	ZNMXCBHFCULHEZ-SJKOYZFVSA-N	1	0	366.400	1.923	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCN(CC)C2=O)C1	ZINC001082884721	910663550	/nfs/dbraw/zinc/66/35/50/910663550.db2.gz	BWQRNTIBIZUDMF-AYOQOUSVSA-N	1	0	353.466	1.268	20	30		FDEDRO
Cc1nc[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1	ZINC001082884850	910663792	/nfs/dbraw/zinc/66/37/92/910663792.db2.gz	LCOBFXPFZKMTRO-KZULUSFZSA-N	1	0	355.417	1.908	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1	ZINC001082884920	910665463	/nfs/dbraw/zinc/66/54/63/910665463.db2.gz	QWSQMXDFNSMVKG-FUHIMQAGSA-N	1	0	367.493	1.563	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)Cc3ccccc3)C[C@H]2OC)CCC1	ZINC001212393800	910677101	/nfs/dbraw/zinc/67/71/01/910677101.db2.gz	ZFIZYZORAQDJCT-VAMGGRTRSA-N	1	0	370.493	1.599	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@H]2OC)CCOCC1	ZINC001212395536	910737374	/nfs/dbraw/zinc/73/73/74/910737374.db2.gz	IOGKAAYIFFBXPX-QZTJIDSGSA-N	1	0	364.486	1.049	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)Cc3ccccc3F)C[C@H]2C)C1=O	ZINC001082895967	910771815	/nfs/dbraw/zinc/77/18/15/910771815.db2.gz	RZQWKJKDPSOTAJ-FHLIZLRMSA-N	1	0	359.445	1.592	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN2CCCC2=O)c1	ZINC001085130001	921603977	/nfs/dbraw/zinc/60/39/77/921603977.db2.gz	RTHZEOGLZCNEPA-QZTJIDSGSA-N	1	0	354.454	1.698	20	30		FDEDRO
Cc1nc[nH]c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1	ZINC001082963092	911164403	/nfs/dbraw/zinc/16/44/03/911164403.db2.gz	OKKDVPUJKJCMMU-CXAGYDPISA-N	1	0	353.426	1.871	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C(N)=O)ccn2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082966695	911211050	/nfs/dbraw/zinc/21/10/50/911211050.db2.gz	YWNMZFFISDWVHO-FZKQIMNGSA-N	1	0	363.421	1.302	20	30		FDEDRO
CN(C(=O)[C@]12C[C@H]1COC2)C1CC([NH2+]Cc2ccc(OCC#N)cc2)C1	ZINC000998796166	911697329	/nfs/dbraw/zinc/69/73/29/911697329.db2.gz	DKZQQUYUKDTZEY-QVUWHDNHSA-N	1	0	355.438	1.704	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C	ZINC001212409270	911723338	/nfs/dbraw/zinc/72/33/38/911723338.db2.gz	BISQYWPEEOPDPF-ZACQAIPSSA-N	1	0	362.499	1.275	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC000998927009	911859632	/nfs/dbraw/zinc/85/96/32/911859632.db2.gz	AFPVJOFTEWUDSN-JUSSBARDSA-N	1	0	361.417	1.580	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3ccc4c(c3)CCCO4)[C@H]2C1	ZINC001083113664	911908721	/nfs/dbraw/zinc/90/87/21/911908721.db2.gz	NIUDDJTUSXFYKC-AZUAARDMSA-N	1	0	354.450	1.489	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4cc(OC)ccc43)[C@H]2C1	ZINC001083100786	912015739	/nfs/dbraw/zinc/01/57/39/912015739.db2.gz	YUYDIHOGHFQYML-SLFFLAALSA-N	1	0	354.450	1.660	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)CCc3ccc(OCC)cc3)[C@H]2C1	ZINC001083127348	912105117	/nfs/dbraw/zinc/10/51/17/912105117.db2.gz	KYSPHZNEFYKESM-VQTJNVASSA-N	1	0	356.466	1.953	20	30		FDEDRO
C=C(Cl)CN1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1	ZINC001084532858	915226168	/nfs/dbraw/zinc/22/61/68/915226168.db2.gz	SAZBHAJTAMRABG-DSZOFWSKSA-N	1	0	351.878	1.135	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C)n(C)n2)C1=O	ZINC001085145630	921767371	/nfs/dbraw/zinc/76/73/71/921767371.db2.gz	BCIHQNMEIFWQIM-BZUAXINKSA-N	1	0	359.474	1.146	20	30		FDEDRO
Cc1noc(CCC(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)n1	ZINC001084563018	915462775	/nfs/dbraw/zinc/46/27/75/915462775.db2.gz	OVINERFPNUEJEE-QZTJIDSGSA-N	1	0	365.437	1.915	20	30		FDEDRO
CN1C(=O)CC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001084600964	915533625	/nfs/dbraw/zinc/53/36/25/915533625.db2.gz	NNLPELRZTSAWJP-KZNAEPCWSA-N	1	0	352.438	1.212	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](O)COc2cccc(F)c2)CC1	ZINC000730029095	915966821	/nfs/dbraw/zinc/96/68/21/915966821.db2.gz	CKFHGPPCSOPGJD-QGZVFWFLSA-N	1	0	365.449	1.905	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)COC4CCOCC4)[C@@H]3C2)c1	ZINC001084697573	916302928	/nfs/dbraw/zinc/30/29/28/916302928.db2.gz	PTZMNCRKLRBCRO-UYAOXDASSA-N	1	0	369.465	1.787	20	30		FDEDRO
C=C(Br)CN1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1	ZINC001084773129	917023280	/nfs/dbraw/zinc/02/32/80/917023280.db2.gz	DKAHHGYQGGOEIQ-RRFJBIMHSA-N	1	0	356.308	1.770	20	30		FDEDRO
N#CCn1c(=O)c2ccccc2nc1CN1CC[C@@H]([NH+]2CCCCC2)C1	ZINC000730809154	917339838	/nfs/dbraw/zinc/33/98/38/917339838.db2.gz	TXCCNKLALYUBFL-MRXNPFEDSA-N	1	0	351.454	1.980	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4nocc4C)C[C@H]32)CC1	ZINC001084851138	917659083	/nfs/dbraw/zinc/65/90/83/917659083.db2.gz	OKZSOOLGHNYPJO-IEBWSBKVSA-N	1	0	356.470	1.361	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1	ZINC000731125634	917772730	/nfs/dbraw/zinc/77/27/30/917772730.db2.gz	KSEZNGNTHQLOQX-QGZVFWFLSA-N	1	0	355.438	1.724	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cn4ccnc4)[C@@H]3C2)cc1	ZINC001084865940	917812910	/nfs/dbraw/zinc/81/29/10/917812910.db2.gz	AWCYXGTXQQAJND-IEBWSBKVSA-N	1	0	365.437	1.518	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cnc(C)cn4)C[C@@H]32)C1=O	ZINC001084883498	917968522	/nfs/dbraw/zinc/96/85/22/917968522.db2.gz	ZGXCUAOXISEHTR-SZMVWBNQSA-N	1	0	369.469	1.108	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H]2CC[N@H+](Cc3ccc4oc(=O)n(C)c4c3)[C@H]2C1	ZINC001084906845	918173520	/nfs/dbraw/zinc/17/35/20/918173520.db2.gz	JOKYRRZSHTZYMP-UNEWFSDZSA-N	1	0	368.437	1.714	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCCCCCC3)[C@H]2C1	ZINC001084907120	918174000	/nfs/dbraw/zinc/17/40/00/918174000.db2.gz	VBORODLFUCSONH-KSZLIROESA-N	1	0	360.502	1.862	20	30		FDEDRO
CN(C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21)C1CC1	ZINC001084914788	918278819	/nfs/dbraw/zinc/27/88/19/918278819.db2.gz	AGDHBSGYNPMZKI-PBHICJAKSA-N	1	0	355.442	1.044	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)C[C@H]4COC(=O)C4)C[C@@H]32)c1	ZINC001084920697	918328695	/nfs/dbraw/zinc/32/86/95/918328695.db2.gz	RKRAKSKIRVLMLS-QRVBRYPASA-N	1	0	367.449	1.934	20	30		FDEDRO
Cn1oc(C(=O)N2CC[C@H]3CC[N@H+](CC#Cc4ccccc4)[C@H]3C2)cc1=O	ZINC001084928759	918378463	/nfs/dbraw/zinc/37/84/63/918378463.db2.gz	DTICXSDRTMQAFR-MSOLQXFVSA-N	1	0	365.433	1.566	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCC3)[C@H]2C1	ZINC001084948766	918671402	/nfs/dbraw/zinc/67/14/02/918671402.db2.gz	ANTBILSZHBBQPF-CABCVRRESA-N	1	0	353.894	1.920	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCCC3)[C@H]2C1	ZINC001084959131	918859861	/nfs/dbraw/zinc/85/98/61/918859861.db2.gz	WHKIKPCADHFXII-MJGOQNOKSA-N	1	0	370.497	1.833	20	30		FDEDRO
CN1CCN(c2cc[nH+]cc2NC(=O)Cc2ccc(OCC#N)cc2)CC1	ZINC000731979268	918898564	/nfs/dbraw/zinc/89/85/64/918898564.db2.gz	OBNVSANDKDOAHU-UHFFFAOYSA-N	1	0	365.437	1.917	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCO[C@H]3c3cnn(C)c3)C[C@@H]21	ZINC001084961046	918907062	/nfs/dbraw/zinc/90/70/62/918907062.db2.gz	HTKRVTKSXUPEMZ-YSHGAJCASA-N	1	0	356.470	1.444	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cn4c(n3)C[C@H](OC)CC4)C[C@@H]21	ZINC001084969576	918957818	/nfs/dbraw/zinc/95/78/18/918957818.db2.gz	ODJAFEZSOJMWJT-NUJGCVRESA-N	1	0	358.486	1.957	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]21	ZINC001084991068	919326735	/nfs/dbraw/zinc/32/67/35/919326735.db2.gz	YVSUMOVCFWVWOR-BDXSIMOUSA-N	1	0	363.502	1.689	20	30		FDEDRO
CN1CC[C@@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4cccc(C#N)c4)[C@H]3C2)C1=O	ZINC001085011997	919587828	/nfs/dbraw/zinc/58/78/28/919587828.db2.gz	OOFQWJZVZUAUJX-QRVBRYPASA-N	1	0	366.465	1.459	20	30		FDEDRO
CN1C(=O)CC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@H]2C1	ZINC001085014747	919665134	/nfs/dbraw/zinc/66/51/34/919665134.db2.gz	BEOASCMFGIPOKH-LZQZEXGQSA-N	1	0	366.465	1.602	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCN(CC(F)(F)F)C3)C[C@@H]21	ZINC001085017265	919691118	/nfs/dbraw/zinc/69/11/18/919691118.db2.gz	UYRKPYOMOOQVHM-PMPSAXMXSA-N	1	0	357.420	1.817	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4conc4C)C[C@@H]32)C1=O	ZINC001085022259	919770211	/nfs/dbraw/zinc/77/02/11/919770211.db2.gz	PVSSMJSCBGGEKJ-UAGQMJEPSA-N	1	0	358.442	1.306	20	30		FDEDRO
N#Cc1cc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@H]32)ccc1F	ZINC001085034908	919916653	/nfs/dbraw/zinc/91/66/53/919916653.db2.gz	WAEJCLQTBKMEFZ-KBEGMRNHSA-N	1	0	370.428	1.242	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)CCc4cn[nH]c4)C[C@@H]32)C1=O	ZINC001085052330	920110382	/nfs/dbraw/zinc/11/03/82/920110382.db2.gz	BNVURAAWMRSFQL-BZSNNMDCSA-N	1	0	371.485	1.052	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)C[C@@H]21	ZINC001085065541	920367279	/nfs/dbraw/zinc/36/72/79/920367279.db2.gz	PUQXLEBYJYLUHV-JZXOWHBKSA-N	1	0	359.474	1.427	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C3CCN(C(=O)CCC)CC3)C[C@@H]21	ZINC001085099686	920905939	/nfs/dbraw/zinc/90/59/39/920905939.db2.gz	GLGKJHMSHDGXFW-MJGOQNOKSA-N	1	0	359.514	1.971	20	30		FDEDRO
COc1cc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)cc(Cl)c1OC	ZINC000733334170	920988305	/nfs/dbraw/zinc/98/83/05/920988305.db2.gz	DBOLTHXRPBKDKU-BMRADRMJSA-N	1	0	365.817	1.973	20	30		FDEDRO
Cc1nn(C)c2nc(Cl)c(C[NH2+]CCNC(=O)C3N=CC=CC3=O)cc12	ZINC000733334349	920990825	/nfs/dbraw/zinc/99/08/25/920990825.db2.gz	HOSALQUYYKLNQA-VKAVYKQESA-N	1	0	374.832	1.546	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1nccnc1N	ZINC001085154668	921845977	/nfs/dbraw/zinc/84/59/77/921845977.db2.gz	FUVIDEULQPAJFL-HZPDHXFCSA-N	1	0	368.416	1.900	20	30		FDEDRO
Cc1c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)c(F)c2)nnn1C	ZINC001085158765	921869250	/nfs/dbraw/zinc/86/92/50/921869250.db2.gz	UXGGCCMKCMETOC-IAGOWNOFSA-N	1	0	370.432	1.965	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc3n(n2)CCC3)c1	ZINC001085162549	921905165	/nfs/dbraw/zinc/90/51/65/921905165.db2.gz	SLNYXXDJFNELQQ-IAGOWNOFSA-N	1	0	352.442	1.860	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCNC(=O)C1	ZINC001085164545	921916339	/nfs/dbraw/zinc/91/63/39/921916339.db2.gz	MMVXIYQVYYQFTH-YNEHKIRRSA-N	1	0	358.280	1.438	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN2CCOCC2)s1	ZINC001085173106	921989300	/nfs/dbraw/zinc/98/93/00/921989300.db2.gz	GJDAIVLWNMVZHX-IAGOWNOFSA-N	1	0	362.499	1.469	20	30		FDEDRO
Cn1ncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(F)ccc2C#N)c1N	ZINC001085178414	922025209	/nfs/dbraw/zinc/02/52/09/922025209.db2.gz	AFJMAEXTWDUJQY-IAGOWNOFSA-N	1	0	370.432	1.844	20	30		FDEDRO
C#CCN(C)c1nnc(CN2CC[NH+](Cc3ccc(C)cc3)CC2)n1C	ZINC000282600256	922186661	/nfs/dbraw/zinc/18/66/61/922186661.db2.gz	YCDCXSPDDONBAK-UHFFFAOYSA-N	1	0	352.486	1.511	20	30		FDEDRO
CC[N@H+](C)Cc1cccc(CNC(=O)CCNC(=O)C2N=CC=CC2=O)c1	ZINC000733890858	922312269	/nfs/dbraw/zinc/31/22/69/922312269.db2.gz	IONAAVCPUWKUQP-FMQUCBEESA-N	1	0	370.453	1.671	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@](C)(CNC(=O)OC(C)(C)C)C(C)C	ZINC000733896669	922427374	/nfs/dbraw/zinc/42/73/74/922427374.db2.gz	OUNDQYFXOLCDJD-QGZVFWFLSA-N	1	0	356.467	1.527	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1	ZINC001066172139	922576636	/nfs/dbraw/zinc/57/66/36/922576636.db2.gz	DHRFCZLDZBCUOT-FGTMMUONSA-N	1	0	363.502	1.254	20	30		FDEDRO
C=CCCOCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001066218963	922617450	/nfs/dbraw/zinc/61/74/50/922617450.db2.gz	RCJRIZSMSBFPOS-BRWVUGGUSA-N	1	0	351.491	1.417	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2cnc(C#N)cn2)CC[N@@H+]1C	ZINC001066203769	922626881	/nfs/dbraw/zinc/62/68/81/922626881.db2.gz	WOLSCLSIVGGJTI-MLHJIOFPSA-N	1	0	368.485	1.648	20	30		FDEDRO
CCCCCCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001098364725	922700206	/nfs/dbraw/zinc/70/02/06/922700206.db2.gz	AXAZFAWTDWRKKR-IAGOWNOFSA-N	1	0	355.479	1.907	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	ZINC001085244653	923100711	/nfs/dbraw/zinc/10/07/11/923100711.db2.gz	POWYPTIRZKYEHQ-SYQHCUMBSA-N	1	0	350.381	1.926	20	30		FDEDRO
N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCC[C@@H](OCCO)C1	ZINC000734486042	923377393	/nfs/dbraw/zinc/37/73/93/923377393.db2.gz	YYHSJFVAMCDGQQ-CVEARBPZSA-N	1	0	366.421	1.697	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCc2cnn(C)c2)c1	ZINC001085325753	923915419	/nfs/dbraw/zinc/91/54/19/923915419.db2.gz	CPLWBMIRENFDFC-RTBURBONSA-N	1	0	351.454	1.670	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001085334298	923967438	/nfs/dbraw/zinc/96/74/38/923967438.db2.gz	DSMLQKGYLDGYAR-WJFTUGDTSA-N	1	0	368.481	1.800	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nncn2C)cc1	ZINC001085356221	924158344	/nfs/dbraw/zinc/15/83/44/924158344.db2.gz	MKOCFMIUUASDQZ-QZTJIDSGSA-N	1	0	367.453	1.658	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc(C)[nH]2)cc1	ZINC001085356376	924159617	/nfs/dbraw/zinc/15/96/17/924159617.db2.gz	TYXSMHSLXBQMLG-QZTJIDSGSA-N	1	0	367.453	1.956	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCc2ccns2)nn1	ZINC001085356745	924178299	/nfs/dbraw/zinc/17/82/99/924178299.db2.gz	NBEYEKFUDMSLBF-HUUCEWRRSA-N	1	0	360.487	1.794	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCn2nc(C)cc2C)nn1	ZINC001085357077	924184075	/nfs/dbraw/zinc/18/40/75/924184075.db2.gz	CKXRSNQLFGXMQZ-IAGOWNOFSA-N	1	0	371.489	1.608	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCC1	ZINC001085357895	924191954	/nfs/dbraw/zinc/19/19/54/924191954.db2.gz	WSYRWAQDUPSXLU-FAJBIJEISA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)nn1	ZINC001085360004	924214556	/nfs/dbraw/zinc/21/45/56/924214556.db2.gz	KGEMRZOIYYVSQS-FAJBIJEISA-N	1	0	374.485	1.983	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C)nc(C)n2)C1=O	ZINC001085362348	924255152	/nfs/dbraw/zinc/25/51/52/924255152.db2.gz	XDCUYLLEZYFSTB-BRWVUGGUSA-N	1	0	371.485	1.511	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2nnc[nH]2)cc1C#N	ZINC001085368205	924269436	/nfs/dbraw/zinc/26/94/36/924269436.db2.gz	IYGSIYQXXHPJRJ-HUUCEWRRSA-N	1	0	354.414	1.516	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCn2nc(C)nc2C)nc1	ZINC001085398546	924448191	/nfs/dbraw/zinc/44/81/91/924448191.db2.gz	MDHFWHVFGVAEKC-QZTJIDSGSA-N	1	0	366.469	1.602	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cn2cncn2)ccc1F	ZINC001085414051	924558127	/nfs/dbraw/zinc/55/81/27/924558127.db2.gz	BBDDAXQTDMXBAS-IAGOWNOFSA-N	1	0	356.405	1.506	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)CC1	ZINC000735939302	924686815	/nfs/dbraw/zinc/68/68/15/924686815.db2.gz	CQZXJHMQQCBLOR-CYBMUJFWSA-N	1	0	358.394	1.631	20	30		FDEDRO
CN1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)CCC1=O	ZINC001085433546	924687798	/nfs/dbraw/zinc/68/77/98/924687798.db2.gz	UBHKIEOLZNCTLA-IPMKNSEASA-N	1	0	368.481	1.944	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCCN2C(N)=O)cc1	ZINC001085440145	924741324	/nfs/dbraw/zinc/74/13/24/924741324.db2.gz	GHXSLHFBFACXAL-KURKYZTESA-N	1	0	369.469	1.618	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	ZINC001085671950	925041442	/nfs/dbraw/zinc/04/14/42/925041442.db2.gz	LMRNBASQZJLROQ-MCIONIFRSA-N	1	0	350.381	1.832	20	30		FDEDRO
Cn1cc(C[NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)c(=O)n(C)c1=O	ZINC000740013360	925334314	/nfs/dbraw/zinc/33/43/14/925334314.db2.gz	FKKFHUIHRKIWPA-UHFFFAOYSA-N	1	0	366.446	1.974	20	30		FDEDRO
C#CCSCC[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl	ZINC000740014497	925335531	/nfs/dbraw/zinc/33/55/31/925335531.db2.gz	JVZHIAYZPQSUIL-GFCCVEGCSA-N	1	0	361.920	1.661	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)C2=NN(c3ccccc3)[C@@H](C(C)=O)C2)CC1	ZINC000740735816	925420026	/nfs/dbraw/zinc/42/00/26/925420026.db2.gz	QHWZYGCXHWAYJH-HXUWFJFHSA-N	1	0	366.465	1.814	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)CC1	ZINC000740736995	925420779	/nfs/dbraw/zinc/42/07/79/925420779.db2.gz	VJMJMQJGEUHXNJ-SFHVURJKSA-N	1	0	371.506	1.806	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CCNC(=O)c2[nH]nc3ccccc32)CC1	ZINC000740739137	925430017	/nfs/dbraw/zinc/43/00/17/925430017.db2.gz	WTSOKVVTMPOSQM-UHFFFAOYSA-N	1	0	367.453	1.287	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CCCN2C(=O)c3ccccc3C2=O)CC1	ZINC000740748591	925435291	/nfs/dbraw/zinc/43/52/91/925435291.db2.gz	QSJMTKNRRSMYLU-UHFFFAOYSA-N	1	0	367.449	1.667	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1	ZINC000740882669	925484344	/nfs/dbraw/zinc/48/43/44/925484344.db2.gz	FYCVHDNRUDJMDM-CABCVRRESA-N	1	0	352.479	1.984	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1	ZINC000740885387	925485170	/nfs/dbraw/zinc/48/51/70/925485170.db2.gz	SPPCGXQSIQRIHT-ILXRZTDVSA-N	1	0	352.479	1.982	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC001086111128	926021978	/nfs/dbraw/zinc/02/19/78/926021978.db2.gz	STEZTNBHHBLOIF-ZKNMIIFVSA-N	1	0	361.417	1.486	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)O1	ZINC001086120962	926050465	/nfs/dbraw/zinc/05/04/65/926050465.db2.gz	VOAGGGHFYYTZKZ-DQEVTTJGSA-N	1	0	356.470	1.262	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)c1	ZINC001086157671	926182917	/nfs/dbraw/zinc/18/29/17/926182917.db2.gz	ZDNMIEOEFRCFPY-UHZRXMQZSA-N	1	0	369.465	1.594	20	30		FDEDRO
C=C(C)CN1C[C@@H](NC(=O)C[N@@H+](C)CCCCCC)[C@@H](n2ccnn2)C1	ZINC001129327218	926236412	/nfs/dbraw/zinc/23/64/12/926236412.db2.gz	QHWKJUHRSXGYAS-MSOLQXFVSA-N	1	0	362.522	1.708	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)C1	ZINC001086220759	926326474	/nfs/dbraw/zinc/32/64/74/926326474.db2.gz	OXTCCWJHYALQNO-RZFLPCETSA-N	1	0	363.502	1.463	20	30		FDEDRO
O=C(NCC[NH2+]Cc1ccc(Oc2cnccn2)cc1)C1N=CC=CC1=O	ZINC000743496499	926371228	/nfs/dbraw/zinc/37/12/28/926371228.db2.gz	BYUDRRVXKKYRAR-HNENSFHCSA-N	1	0	365.393	1.885	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1	ZINC000743888683	926488301	/nfs/dbraw/zinc/48/83/01/926488301.db2.gz	CDJGDJYQYNBJGI-UHFFFAOYSA-N	1	0	373.428	1.863	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCN(C(C)(C)C)C2=O)C1	ZINC001086483040	927538183	/nfs/dbraw/zinc/53/81/83/927538183.db2.gz	IYSHYIYYDIMJNS-HHARLNAUSA-N	1	0	363.502	1.461	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cn(CC)nn2)C1	ZINC001086500462	927663315	/nfs/dbraw/zinc/66/33/15/927663315.db2.gz	CPKITMLTSMMCLQ-LAQRGFTBSA-N	1	0	361.490	1.654	20	30		FDEDRO
N#CCn1cc(NC(=O)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cn1	ZINC000746354714	927901497	/nfs/dbraw/zinc/90/14/97/927901497.db2.gz	ZUNMBHGTAPJVDX-KRWDZBQOSA-N	1	0	366.425	1.298	20	30		FDEDRO
CCC[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2C#N)CC[N@@H+]1CCOC	ZINC000766428482	928035337	/nfs/dbraw/zinc/03/53/37/928035337.db2.gz	JCTVVBVDSQCBBU-OAHLLOKOSA-N	1	0	366.487	1.143	20	30		FDEDRO
CC[C@@H](CC#N)[NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC001169181663	928341915	/nfs/dbraw/zinc/34/19/15/928341915.db2.gz	SMDSUWLGHWCHFN-KGLIPLIRSA-N	1	0	360.462	1.274	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(Cn2cc3c(c(C#N)c2=O)CCC3)C1	ZINC000766638636	928376066	/nfs/dbraw/zinc/37/60/66/928376066.db2.gz	VTFCDSRVBGWUDE-KRWDZBQOSA-N	1	0	358.486	1.599	20	30		FDEDRO
C=CCOC(=O)N1CCC2(C[NH+]([C@@H]3CC[C@@H](C(=O)OCC)OC3)C2)CC1	ZINC001169368758	928477410	/nfs/dbraw/zinc/47/74/10/928477410.db2.gz	SYMNLVFHQJJTFP-CVEARBPZSA-N	1	0	366.458	1.818	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1cc(F)cc(C#N)c1	ZINC000866995586	928656627	/nfs/dbraw/zinc/65/66/27/928656627.db2.gz	HCCSVGMOSVSSBC-OIISXLGYSA-N	1	0	367.446	1.570	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2cccnn2)[C@@H](n2ccnn2)C1	ZINC001129337515	928767492	/nfs/dbraw/zinc/76/74/92/928767492.db2.gz	KYLIPGCICMJIDM-SJORKVTESA-N	1	0	355.446	1.470	20	30		FDEDRO
C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@@H+]([C@H]1CCCN(C(C)=O)C1)C2	ZINC001169604136	928778407	/nfs/dbraw/zinc/77/84/07/928778407.db2.gz	BKVJQCJBIKCZCZ-AZUAARDMSA-N	1	0	362.518	1.180	20	30		FDEDRO
C=C[C@@H](CO)Nc1nccc(C[N@@H+]2CC[C@@H](CO)C2)c1C(OC)OC	ZINC001169779352	928910518	/nfs/dbraw/zinc/91/05/18/928910518.db2.gz	GTSRDNLGEJMPIW-HIFRSBDPSA-N	1	0	351.447	1.146	20	30		FDEDRO
C=CC[C@H](Nc1ccc(S(=O)(=O)NC2CC[NH2+]CC2)cc1)C(=O)OC	ZINC001169845271	928928993	/nfs/dbraw/zinc/92/89/93/928928993.db2.gz	UHWXZPYMWHBODM-INIZCTEOSA-N	1	0	367.471	1.247	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2coc(CC3CC3)n2)[C@@H](n2ccnn2)C1	ZINC001129348583	928929701	/nfs/dbraw/zinc/92/97/01/928929701.db2.gz	UITUDQNDOUPLRD-WBVHZDCISA-N	1	0	370.457	1.840	20	30		FDEDRO
C=CCCC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3cccnc3)CC2=O)C1	ZINC001108577891	928961697	/nfs/dbraw/zinc/96/16/97/928961697.db2.gz	RWQVIBHUSWWOHE-YTQUADARSA-N	1	0	368.481	1.553	20	30		FDEDRO
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000767459745	929296195	/nfs/dbraw/zinc/29/61/95/929296195.db2.gz	ALDMFUWINZQUNK-QZTJIDSGSA-N	1	0	370.453	1.186	20	30		FDEDRO
CCOCCC[N@@H+]1CCC(=NNc2nc(=O)c3cnn(C)c3[nH]2)[C@H](C)C1	ZINC000769817350	929698279	/nfs/dbraw/zinc/69/82/79/929698279.db2.gz	LYWSNBCEDGULHK-GFCCVEGCSA-N	1	0	361.450	1.605	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]nc1[C@@H]1CCOC1)C2	ZINC001109562809	929781189	/nfs/dbraw/zinc/78/11/89/929781189.db2.gz	BOSSRRLNIKIEJT-JHNDHUHGSA-N	1	0	360.458	1.451	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)CC1	ZINC000770207307	929929502	/nfs/dbraw/zinc/92/95/02/929929502.db2.gz	YRPGJTXXMXJEBF-KRWDZBQOSA-N	1	0	370.453	1.749	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)cnn1C)C2	ZINC001109619525	929936094	/nfs/dbraw/zinc/93/60/94/929936094.db2.gz	SDQUBQVYBIYFFZ-IKGGRYGDSA-N	1	0	371.485	1.264	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CN(C(C)C)CCO1)C2	ZINC001109639653	929972828	/nfs/dbraw/zinc/97/28/28/929972828.db2.gz	XTLASIDVJVDFNV-OWSLCNJRSA-N	1	0	351.491	1.020	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@H]([NH2+]CCS)C[C@H]1C(=O)N1CCSC1	ZINC001170014684	930039322	/nfs/dbraw/zinc/03/93/22/930039322.db2.gz	PUGAGPBTRALJDW-NEPJUHHUSA-N	1	0	361.533	1.417	20	30		FDEDRO
COc1ccc(C#N)cc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2	ZINC001109669985	930100818	/nfs/dbraw/zinc/10/08/18/930100818.db2.gz	DGAWQPHJCRDHKR-SQNIBIBYSA-N	1	0	356.470	1.740	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCO[C@@H]2CCOC2)c1	ZINC001109697250	930142094	/nfs/dbraw/zinc/14/20/94/930142094.db2.gz	XBJBXOZBRCSQJQ-ZRNYENFQSA-N	1	0	369.465	1.594	20	30		FDEDRO
C=CCOCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CC[C@@H](C)O1)C[C@H](C)O2	ZINC001111550977	930196533	/nfs/dbraw/zinc/19/65/33/930196533.db2.gz	PDYQLTZWARCOLG-FGTMMUONSA-N	1	0	366.502	1.838	20	30		FDEDRO
COC(=O)C[C@@]1([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CCCOC1	ZINC000770703700	930215131	/nfs/dbraw/zinc/21/51/31/930215131.db2.gz	ZCQSUJPUALXCCC-APWZRJJASA-N	1	0	362.426	1.194	20	30		FDEDRO
C#CC[NH+]1CCC(c2nc(-c3ccc(N4CCOC4=O)nc3)no2)CC1	ZINC000770876381	930305701	/nfs/dbraw/zinc/30/57/01/930305701.db2.gz	YIHVBYSSEPWRCI-UHFFFAOYSA-N	1	0	353.382	1.901	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1cnn(C)c1	ZINC001109804340	930494886	/nfs/dbraw/zinc/49/48/86/930494886.db2.gz	LULGZQMMHSMRQH-HCXYKTFWSA-N	1	0	373.501	1.155	20	30		FDEDRO
C[C@@H]1[C@@H](C)[N@H+](C)CCN1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1	ZINC000771466986	930702139	/nfs/dbraw/zinc/70/21/39/930702139.db2.gz	OAAWBTWZXBFIMJ-NFAWXSAZSA-N	1	0	353.426	1.536	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCn2cncn2)C3)cc1	ZINC001109935871	930809399	/nfs/dbraw/zinc/80/93/99/930809399.db2.gz	ZWMXTQVEUQLTEC-QYZOEREBSA-N	1	0	364.453	1.852	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCCS(=O)(=O)C1)C2	ZINC001109936211	930814065	/nfs/dbraw/zinc/81/40/65/930814065.db2.gz	OKDYDELIOPMYHU-NCOADZHNSA-N	1	0	354.516	1.889	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@H](CCO)C2CC2)CC1	ZINC000771796552	930892484	/nfs/dbraw/zinc/89/24/84/930892484.db2.gz	QSRKTZQKVHVKKH-HZPDHXFCSA-N	1	0	362.499	1.208	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@]1(C)CCS(=O)(=O)N1)C2	ZINC001110040348	931192193	/nfs/dbraw/zinc/19/21/93/931192193.db2.gz	JTHOTKULCJDKOY-WBTNSWJXSA-N	1	0	355.504	1.146	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1nccs1)C2	ZINC001112550675	931460221	/nfs/dbraw/zinc/46/02/21/931460221.db2.gz	IOGCVIZIEQCHCC-DEYYWGMASA-N	1	0	362.499	1.666	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC(=O)NCC(F)(F)F)C2	ZINC001112554286	931519344	/nfs/dbraw/zinc/51/93/44/931519344.db2.gz	JLZBZFYECMWGLN-BBRMVZONSA-N	1	0	359.392	1.297	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1c(C)cc(C)nc1=O)C2	ZINC001112552004	931528088	/nfs/dbraw/zinc/52/80/88/931528088.db2.gz	AQCYDUHWLALSKY-PXNSSMCTSA-N	1	0	358.486	1.655	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c[nH]c(C)cc1=O)C2	ZINC001112556549	931539106	/nfs/dbraw/zinc/53/91/06/931539106.db2.gz	YTYSAYMPBIZPEL-JXFKEZNVSA-N	1	0	357.454	1.165	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnoc1C1CC1)C2	ZINC001112555716	931559929	/nfs/dbraw/zinc/55/99/29/931559929.db2.gz	HHJQNSATLPFKHZ-LIRRHRJNSA-N	1	0	371.441	1.024	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H](C)n1cccn1)C2	ZINC001112558955	931582633	/nfs/dbraw/zinc/58/26/33/931582633.db2.gz	FCFXHWLWKCINHF-HBFSDRIKSA-N	1	0	358.486	1.702	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc3c([nH]1)CCC3)C2	ZINC001112561041	931586134	/nfs/dbraw/zinc/58/61/34/931586134.db2.gz	DLHAQLXEOUFCGH-UWJYYQICSA-N	1	0	355.482	1.985	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1conc1COC)C2	ZINC001112561564	931589651	/nfs/dbraw/zinc/58/96/51/931589651.db2.gz	GXWOOGUJDRUYMO-KXBFYZLASA-N	1	0	363.458	1.856	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](NC(C)=O)C(C)C)C2	ZINC001112567080	931637888	/nfs/dbraw/zinc/63/78/88/931637888.db2.gz	UWOREBBNKGSXKY-NSHGMRRFSA-N	1	0	365.518	1.568	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)c1cccc(F)c1)C2	ZINC001112573975	931680069	/nfs/dbraw/zinc/68/00/69/931680069.db2.gz	HDMWMXQUBZDXJH-JXFKEZNVSA-N	1	0	357.429	1.407	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1cccc(F)c1)C2	ZINC001112574114	931680789	/nfs/dbraw/zinc/68/07/89/931680789.db2.gz	ONUADJFMKCYPFE-UWJYYQICSA-N	1	0	371.456	1.336	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1c(=O)oc3ccccc31)C2	ZINC001112576941	931689403	/nfs/dbraw/zinc/68/94/03/931689403.db2.gz	QQUMNFQEGNKNKO-KKSFZXQISA-N	1	0	367.449	1.836	20	30		FDEDRO
CCc1ncncc1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#CCOC)C1	ZINC001112579800	931717870	/nfs/dbraw/zinc/71/78/70/931717870.db2.gz	IDEJBXIGVCKTKC-JXFKEZNVSA-N	1	0	356.470	1.521	20	30		FDEDRO
CCOCCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#CCOC)C1	ZINC001112585023	931787789	/nfs/dbraw/zinc/78/77/89/931787789.db2.gz	VWKKTHSLMODQLZ-HBFSDRIKSA-N	1	0	366.502	1.296	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCCCC)C1	ZINC001112588954	931801206	/nfs/dbraw/zinc/80/12/06/931801206.db2.gz	DUXAABMSFCESGW-UWVAXJGDSA-N	1	0	365.518	1.712	20	30		FDEDRO
N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(F)s1)C2	ZINC001112589957	931807627	/nfs/dbraw/zinc/80/76/27/931807627.db2.gz	XFZKCSXFJUEIJM-SJCJKPOMSA-N	1	0	364.446	1.359	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(CF)cc1)C2	ZINC001112587894	931813128	/nfs/dbraw/zinc/81/31/28/931813128.db2.gz	WBFCCMPEERMGQB-RXVVDRJESA-N	1	0	371.456	1.737	20	30		FDEDRO
C[NH+]1CCC(n2ccc(NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)n2)CC1	ZINC000786681533	931991776	/nfs/dbraw/zinc/99/17/76/931991776.db2.gz	AEORKCKKCZSMFP-INIZCTEOSA-N	1	0	357.462	1.354	20	30		FDEDRO
C[NH+]1CCC(n2ccc(NC(=O)NCCNc3ncccc3C#N)n2)CC1	ZINC000786700627	931994336	/nfs/dbraw/zinc/99/43/36/931994336.db2.gz	LTIQFHHRAZBMSR-UHFFFAOYSA-N	1	0	368.445	1.650	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000746660919	932218908	/nfs/dbraw/zinc/21/89/08/932218908.db2.gz	ARKLDBJKZLWFCH-UHFFFAOYSA-N	1	0	354.451	1.330	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1	ZINC000787206279	932224231	/nfs/dbraw/zinc/22/42/31/932224231.db2.gz	QMUWQZPAUZJREG-UONOGXRCSA-N	1	0	350.463	1.784	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)C1	ZINC000787522446	932311138	/nfs/dbraw/zinc/31/11/38/932311138.db2.gz	XYKKKNVRCXLXJR-GOEBONIOSA-N	1	0	362.474	1.736	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1)[C@H]1CCCO1	ZINC000787614167	932337706	/nfs/dbraw/zinc/33/77/06/932337706.db2.gz	CXTWAJROBRYPMY-OKZBNKHCSA-N	1	0	363.502	1.156	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1)[C@@H]1CCCO1	ZINC000787614163	932337765	/nfs/dbraw/zinc/33/77/65/932337765.db2.gz	CXTWAJROBRYPMY-BZSNNMDCSA-N	1	0	363.502	1.156	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1	ZINC000787912023	932462645	/nfs/dbraw/zinc/46/26/45/932462645.db2.gz	RKMULLLHZCMJRM-LBPRGKRZSA-N	1	0	360.296	1.640	20	30		FDEDRO
COC(=O)C[C@]1([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCCOC1	ZINC000790339729	933495877	/nfs/dbraw/zinc/49/58/77/933495877.db2.gz	OOAKMFXJUOTPBI-FXAWDEMLSA-N	1	0	371.437	1.756	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](OC)c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129393600	933563676	/nfs/dbraw/zinc/56/36/76/933563676.db2.gz	OXJWPIVEAPTYBM-FGTMMUONSA-N	1	0	355.442	1.583	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnccc2C)C1	ZINC001111677128	933775858	/nfs/dbraw/zinc/77/58/58/933775858.db2.gz	RKUFCFJVTJMNIH-FTRWYGJKSA-N	1	0	354.454	1.112	20	30		FDEDRO
Cc1cc(NCC(C)(C)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C#N)cn1	ZINC001113466534	933836038	/nfs/dbraw/zinc/83/60/38/933836038.db2.gz	YFQJJFUXEQEJCI-NVXWUHKLSA-N	1	0	357.502	1.920	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn3c(n2)COCC3)C1	ZINC001086595049	933883162	/nfs/dbraw/zinc/88/31/62/933883162.db2.gz	ICDDXWHNTKZDMZ-ZWKOTPCHSA-N	1	0	364.449	1.634	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCN(C(C)=O)C2)C1	ZINC001086597916	933981078	/nfs/dbraw/zinc/98/10/78/933981078.db2.gz	GDNKBTKIQSJCBP-PCCBWWKXSA-N	1	0	367.493	1.852	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccnc3n[nH]nc32)C1	ZINC001086598437	933993325	/nfs/dbraw/zinc/99/33/25/933993325.db2.gz	HYTGYSMHZLTZHV-DLBZAZTESA-N	1	0	360.421	1.574	20	30		FDEDRO
C[NH+](C)CCCOC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O	ZINC000791908531	934207987	/nfs/dbraw/zinc/20/79/87/934207987.db2.gz	WQSIGKLHLFGVGG-OAHLLOKOSA-N	1	0	358.398	1.258	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)COc2ccc(C)cc2)CC1	ZINC000793787465	934271740	/nfs/dbraw/zinc/27/17/40/934271740.db2.gz	JACPAVVBUYYJDJ-MRXNPFEDSA-N	1	0	359.470	1.645	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1	ZINC000793813051	934289973	/nfs/dbraw/zinc/28/99/73/934289973.db2.gz	NYHMSLHLEABGSG-ABAIWWIYSA-N	1	0	360.296	1.638	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2CCC(=O)NC2=O)C1	ZINC001086618460	938342677	/nfs/dbraw/zinc/34/26/77/938342677.db2.gz	OTWYJTJDVVPHJV-DLBZAZTESA-N	1	0	370.453	1.089	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCc3n[nH]nc3C2)C1	ZINC001086619558	938355166	/nfs/dbraw/zinc/35/51/66/938355166.db2.gz	WQJLOBNOWVYLIO-FUHIMQAGSA-N	1	0	363.465	1.517	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCc1ccc(OC)c(C#N)c1	ZINC000804418814	938427682	/nfs/dbraw/zinc/42/76/82/938427682.db2.gz	XCUBCAVHAILLOQ-INIZCTEOSA-N	1	0	358.442	1.174	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccccc2N(C)C)[C@@H](n2ccnn2)C1	ZINC001129481889	938434388	/nfs/dbraw/zinc/43/43/88/938434388.db2.gz	QNMHEFYWNNTIDP-MJGOQNOKSA-N	1	0	368.485	1.966	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cccc(C)n2)C[C@@H]1n1ccnn1	ZINC001129582688	938459153	/nfs/dbraw/zinc/45/91/53/938459153.db2.gz	NHNKXYZACCNCCC-OLMNPRSZSA-N	1	0	354.458	1.992	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H]([NH2+][C@@H](C)c2ccccc2C)[C@@H](n2ccnn2)C1	ZINC001129681275	938484047	/nfs/dbraw/zinc/48/40/47/938484047.db2.gz	MWERKBKNTOSBOS-UHOSZYNNSA-N	1	0	369.469	1.892	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2COCCN2C(C)=O)C1	ZINC001086624474	938486831	/nfs/dbraw/zinc/48/68/31/938486831.db2.gz	GWGJZVQHAVSOSE-ZCNNSNEGSA-N	1	0	371.481	1.394	20	30		FDEDRO
O=C(CCC1CC1)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129699299	938488600	/nfs/dbraw/zinc/48/86/00/938488600.db2.gz	RBRBTGKMVHAGHU-UXHICEINSA-N	1	0	363.465	1.862	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H]([NH2+]CCCOCC)[C@@H](n2ccnn2)C1	ZINC001129732916	938496200	/nfs/dbraw/zinc/49/62/00/938496200.db2.gz	KWGNKUDHIMQXJR-SJORKVTESA-N	1	0	365.478	1.029	20	30		FDEDRO
CC/C=C/CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1n1ccnn1	ZINC001129761864	938503160	/nfs/dbraw/zinc/50/31/60/938503160.db2.gz	BDSWHKTXXGXBEU-YRLOJYSSSA-N	1	0	353.430	1.489	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2nccn2CC)C[C@@H]1n1ccnn1	ZINC001129789282	938507444	/nfs/dbraw/zinc/50/74/44/938507444.db2.gz	VVIJPBNOINKUSU-OAGGEKHMSA-N	1	0	357.462	1.505	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H]([NH2+]C[C@@H](O)c2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129822019	938521952	/nfs/dbraw/zinc/52/19/52/938521952.db2.gz	AVHWJEGYNRVXEY-CEXWTWQISA-N	1	0	367.453	1.013	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H](n2ccnn2)C1	ZINC001129829733	938523680	/nfs/dbraw/zinc/52/36/80/938523680.db2.gz	NRKYMWSITJVPQK-MOPGFXCFSA-N	1	0	362.437	1.495	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]CCc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129830072	938523905	/nfs/dbraw/zinc/52/39/05/938523905.db2.gz	ULMXTUZOMORLNZ-MOPGFXCFSA-N	1	0	351.454	1.666	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CC/C=C/CCC)[C@@H](n2ccnn2)C1	ZINC001129829953	938523915	/nfs/dbraw/zinc/52/39/15/938523915.db2.gz	QUYGEGYVJRULFH-WFJGZTCRSA-N	1	0	359.474	1.404	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(CO)cc2)[C@@H](n2ccnn2)C1	ZINC001129830045	938523945	/nfs/dbraw/zinc/52/39/45/938523945.db2.gz	UAGIDUNDDNHULL-MOPGFXCFSA-N	1	0	367.453	1.116	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3n[nH]cc32)C[C@@H]1n1ccnn1	ZINC001129845206	938525519	/nfs/dbraw/zinc/52/55/19/938525519.db2.gz	OYGVKKYOIHSATG-QGTPRVQTSA-N	1	0	369.473	1.429	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cn(C3CCC3)nn2)C[C@@H]1n1ccnn1	ZINC001129850215	938527466	/nfs/dbraw/zinc/52/74/66/938527466.db2.gz	SBZFKHLHAZVPFE-WBVHZDCISA-N	1	0	370.461	1.216	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(C)c2F)C[C@@H]1n1ccnn1	ZINC001129857814	938529623	/nfs/dbraw/zinc/52/96/23/938529623.db2.gz	FSCKXXRUNKTLPX-SJORKVTESA-N	1	0	371.416	1.031	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc(Cl)c2C)C[C@@H]1n1ccnn1	ZINC001129857865	938529888	/nfs/dbraw/zinc/52/98/88/938529888.db2.gz	IGUMPIQLUXHAAE-SJORKVTESA-N	1	0	357.845	1.919	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC(=O)N(C)C2)C1	ZINC001086625532	938530341	/nfs/dbraw/zinc/53/03/41/938530341.db2.gz	HNNIZQWXSCPYRV-GBESFXJTSA-N	1	0	353.466	1.462	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]CCOc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129833945	938533051	/nfs/dbraw/zinc/53/30/51/938533051.db2.gz	JRYBGHMOFRYYME-MOPGFXCFSA-N	1	0	367.453	1.502	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]CCC[C@@H]2CCOC2)[C@@H](n2ccnn2)C1	ZINC001129834192	938533404	/nfs/dbraw/zinc/53/34/04/938533404.db2.gz	PAWOBYMBCMRKHZ-KURKYZTESA-N	1	0	359.474	1.240	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H]([NH2+]CCCC(C)(C)C)[C@@H](n2ccnn2)C1	ZINC001129837275	938534574	/nfs/dbraw/zinc/53/45/74/938534574.db2.gz	ACDQTQUEELDIKM-SJORKVTESA-N	1	0	361.490	1.486	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H]([NH2+]Cc2cccc(C)c2)[C@@H](n2ccnn2)C1	ZINC001129838559	938535590	/nfs/dbraw/zinc/53/55/90/938535590.db2.gz	YBCLWMDRVCANHF-MOPGFXCFSA-N	1	0	367.453	1.168	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(OCC)nc2)C[C@@H]1n1ccnn1	ZINC001129884003	938538554	/nfs/dbraw/zinc/53/85/54/938538554.db2.gz	FFYLSRSNSUZILV-CVEARBPZSA-N	1	0	356.430	1.303	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc3cc(C)cn3c2)C[C@@H]1n1ccnn1	ZINC001129887899	938540702	/nfs/dbraw/zinc/54/07/02/938540702.db2.gz	WLSJWHRGJOBBBT-MOPGFXCFSA-N	1	0	362.437	1.518	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2cc(C3CC3)no2)C[C@@H]1n1ccnn1	ZINC001129890707	938541682	/nfs/dbraw/zinc/54/16/82/938541682.db2.gz	WXQYFRCUZPVBCF-MSOLQXFVSA-N	1	0	370.457	1.694	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3nccn32)C[C@@H]1n1ccnn1	ZINC001129892076	938542663	/nfs/dbraw/zinc/54/26/63/938542663.db2.gz	GCSBFLBTVPGBHT-ZACQAIPSSA-N	1	0	369.473	1.360	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]([NH2+]CCCOC)[C@@H](n2ccnn2)C1	ZINC001129867316	938543882	/nfs/dbraw/zinc/54/38/82/938543882.db2.gz	QXFVVHHERGNNTG-KGLIPLIRSA-N	1	0	355.870	1.435	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1	ZINC001129874441	938545711	/nfs/dbraw/zinc/54/57/11/938545711.db2.gz	FUKQJKDXYXEGLA-SJORKVTESA-N	1	0	354.458	1.817	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccnc3[nH]cnc32)C[C@@H]1n1ccnn1	ZINC001129874885	938545970	/nfs/dbraw/zinc/54/59/70/938545970.db2.gz	REQMTZOAMJDIRU-CABCVRRESA-N	1	0	366.429	1.171	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(OCC)n[nH]2)C[C@@H]1n1ccnn1	ZINC001129905304	938548191	/nfs/dbraw/zinc/54/81/91/938548191.db2.gz	TTWDKGPBKCLVQN-CABCVRRESA-N	1	0	359.434	1.021	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnc3cc[nH]c3c2)C[C@@H]1n1ccnn1	ZINC001129907244	938549308	/nfs/dbraw/zinc/54/93/08/938549308.db2.gz	YLEVVVBAPFAONZ-MSOLQXFVSA-N	1	0	365.441	1.776	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)n([C@@H](C)CC)n2)C[C@@H]1n1ccnn1	ZINC001129917160	938554123	/nfs/dbraw/zinc/55/41/23/938554123.db2.gz	NJUCAWQFOQKAJS-QGTPRVQTSA-N	1	0	369.473	1.433	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H]([NH2+]Cc3cccnc3)[C@@H](n3ccnn3)C2)CCC1	ZINC001129894851	938556074	/nfs/dbraw/zinc/55/60/74/938556074.db2.gz	VGLPTGBLXJBZBS-MSOLQXFVSA-N	1	0	364.453	1.408	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc3cc[nH]c3n2)C[C@@H]1n1ccnn1	ZINC001129902341	938561369	/nfs/dbraw/zinc/56/13/69/938561369.db2.gz	GGAARBZEYYMNGD-SJORKVTESA-N	1	0	365.441	1.776	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc3cnccc3c2)C[C@@H]1n1ccnn1	ZINC001129934269	938563433	/nfs/dbraw/zinc/56/34/33/938563433.db2.gz	XJEXZIKAIFDZHG-MSOLQXFVSA-N	1	0	363.425	1.453	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC(C)(C)CO2)C[C@@H]1n1ccnn1	ZINC001129939565	938565391	/nfs/dbraw/zinc/56/53/91/938565391.db2.gz	KKXLQNNULSIZKK-ZACQAIPSSA-N	1	0	359.474	1.238	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@]2(C)c2ccccc2)C[C@@H]1n1ccnn1	ZINC001129939366	938565531	/nfs/dbraw/zinc/56/55/31/938565531.db2.gz	DFGAVYQDJQNACI-YOUFYPILSA-N	1	0	363.465	1.621	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccnc3[nH]c(C)nc32)C[C@@H]1n1ccnn1	ZINC001129939748	938565783	/nfs/dbraw/zinc/56/57/83/938565783.db2.gz	VECCZXYIIPLIMR-CABCVRRESA-N	1	0	366.429	1.089	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2nccn2C)C[C@@H]1n1ccnn1	ZINC001129941055	938566386	/nfs/dbraw/zinc/56/63/86/938566386.db2.gz	HNNHDZLIWAIGQQ-ZACQAIPSSA-N	1	0	371.489	1.341	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)cc(OC)c2C)C[C@@H]1n1ccnn1	ZINC001129925180	938570620	/nfs/dbraw/zinc/57/06/20/938570620.db2.gz	RTAKEDUWUZWKEY-MSOLQXFVSA-N	1	0	367.453	1.582	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)cc2F)C[C@@H]1n1ccnn1	ZINC001129925037	938570637	/nfs/dbraw/zinc/57/06/37/938570637.db2.gz	QKOHPISESUQNEW-SJORKVTESA-N	1	0	357.389	1.104	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cn(C)c3ccccc23)C[C@@H]1n1ccnn1	ZINC001129927300	938571641	/nfs/dbraw/zinc/57/16/41/938571641.db2.gz	UNCOAXHUHSJEBP-MJGOQNOKSA-N	1	0	362.437	1.448	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)[nH]c2=O)C[C@@H]1n1ccnn1	ZINC001129948940	938573866	/nfs/dbraw/zinc/57/38/66/938573866.db2.gz	HBQRIBWWXWNOOY-CVEARBPZSA-N	1	0	370.457	1.617	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c(C)c(C)n[nH]c2=O)C[C@@H]1n1ccnn1	ZINC001129952410	938575536	/nfs/dbraw/zinc/57/55/36/938575536.db2.gz	SBYGHJANEXFTIG-CABCVRRESA-N	1	0	371.445	1.012	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc3onc(C)c3c2)C[C@@H]1n1ccnn1	ZINC001129952369	938575596	/nfs/dbraw/zinc/57/55/96/938575596.db2.gz	QOFJNFWLNWKMIM-CVEARBPZSA-N	1	0	367.413	1.354	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1	ZINC001086626807	938587614	/nfs/dbraw/zinc/58/76/14/938587614.db2.gz	FNWUGBWHUCXZDB-FGTMMUONSA-N	1	0	369.465	1.590	20	30		FDEDRO
CN(CCC[N@H+](C)Cc1ccco1)c1cccc(S(N)(=O)=O)c1C#N	ZINC000804841375	938592119	/nfs/dbraw/zinc/59/21/19/938592119.db2.gz	SVOIAPYXUWHOKP-UHFFFAOYSA-N	1	0	362.455	1.757	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cnc(C)n2C)C[C@@H]1n1ccnn1	ZINC001129980553	938595766	/nfs/dbraw/zinc/59/57/66/938595766.db2.gz	NMSYHBYRZGWTJL-AEFFLSMTSA-N	1	0	371.489	1.722	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3nn(C)cc32)C[C@@H]1n1ccnn1	ZINC001129982251	938596946	/nfs/dbraw/zinc/59/69/46/938596946.db2.gz	ALPJVDCBPOJETD-OLMNPRSZSA-N	1	0	369.473	1.049	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3cccnc32)C[C@@H]1n1ccnn1	ZINC001129982719	938597503	/nfs/dbraw/zinc/59/75/03/938597503.db2.gz	ISKGPXQKJWSNOW-KURKYZTESA-N	1	0	366.469	1.711	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]([NH2+]CCC[C@H](C)O)[C@@H](n3ccnn3)C2)CCC1	ZINC001129994224	938603023	/nfs/dbraw/zinc/60/30/23/938603023.db2.gz	CBISCDQCIPKCCI-BBWFWOEESA-N	1	0	361.490	1.527	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(F)c(OC)c2)C[C@@H]1n1ccnn1	ZINC001130014543	938615772	/nfs/dbraw/zinc/61/57/72/938615772.db2.gz	RKAIBYODWKBVKO-CVEARBPZSA-N	1	0	357.389	1.104	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccncc2Cl)C[C@@H]1n1ccnn1	ZINC001130017427	938617671	/nfs/dbraw/zinc/61/76/71/938617671.db2.gz	IFPOIKSJWFVQMA-CVEARBPZSA-N	1	0	360.849	1.948	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2ccnc(OC)c2)C[C@@H]1n1ccnn1	ZINC001130007641	938625334	/nfs/dbraw/zinc/62/53/34/938625334.db2.gz	OLQHRSJBGDGNMH-SJORKVTESA-N	1	0	370.457	1.232	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2nccc3[nH]ccc32)C[C@@H]1n1ccnn1	ZINC001130009637	938626441	/nfs/dbraw/zinc/62/64/41/938626441.db2.gz	YXDIVBRSGCHRGM-CVEARBPZSA-N	1	0	351.414	1.386	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2cc(C)oc2C)C[C@@H]1n1ccnn1	ZINC001130040597	938626979	/nfs/dbraw/zinc/62/69/79/938626979.db2.gz	CGYHRFWQPGUMMR-OLMNPRSZSA-N	1	0	355.442	1.656	20	30		FDEDRO
C#CCCCS(=O)(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1	ZINC000804990280	938627736	/nfs/dbraw/zinc/62/77/36/938627736.db2.gz	RCCZOXFACUZQBL-UHFFFAOYSA-N	1	0	363.527	1.479	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2coc(C3CC3)n2)C[C@@H]1n1ccnn1	ZINC001130028545	938630994	/nfs/dbraw/zinc/63/09/94/938630994.db2.gz	WBZCFTXDEANYAU-ZBFHGGJFSA-N	1	0	356.430	1.765	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCOc3ccccc32)C[C@@H]1n1ccnn1	ZINC001130043815	938642652	/nfs/dbraw/zinc/64/26/52/938642652.db2.gz	BBNOIBNFKRWMLT-KSZLIROESA-N	1	0	365.437	1.209	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C(F)F)cc2)C[C@@H]1n1ccnn1	ZINC001130043940	938642975	/nfs/dbraw/zinc/64/29/75/938642975.db2.gz	HUTJKLKIARLBMC-CVEARBPZSA-N	1	0	359.380	1.894	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnn3ccccc23)C[C@@H]1n1ccnn1	ZINC001130047123	938646366	/nfs/dbraw/zinc/64/63/66/938646366.db2.gz	WXZIDQWLXRWDBW-AEFFLSMTSA-N	1	0	365.441	1.547	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2cc(F)ccc2OC)C[C@@H]1n1ccnn1	ZINC001130049949	938648101	/nfs/dbraw/zinc/64/81/01/938648101.db2.gz	AWFWEVNXZKFNRW-SJORKVTESA-N	1	0	371.416	1.033	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cccc3nc[nH]c32)C[C@@H]1n1ccnn1	ZINC001130050115	938648531	/nfs/dbraw/zinc/64/85/31/938648531.db2.gz	JUOKOWMQMPIFDV-SJORKVTESA-N	1	0	365.441	1.776	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2noc3c2C[C@H](C)CC3)C[C@@H]1n1ccnn1	ZINC001130065637	938653226	/nfs/dbraw/zinc/65/32/26/938653226.db2.gz	MRUWZQCJHUUQDF-BMFZPTHFSA-N	1	0	370.457	1.622	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2cnccn2)C[C@@H]1n1ccnn1	ZINC001130071278	938657908	/nfs/dbraw/zinc/65/79/08/938657908.db2.gz	LGUBZXQEESPLGU-NXHRZFHOSA-N	1	0	369.473	1.397	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cn(C(C)C)nc2C)C[C@@H]1n1ccnn1	ZINC001130083701	938665005	/nfs/dbraw/zinc/66/50/05/938665005.db2.gz	GFQYAGQTVBIPMF-MSOLQXFVSA-N	1	0	371.489	1.985	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@@H]1n1ccnn1	ZINC001130086213	938667435	/nfs/dbraw/zinc/66/74/35/938667435.db2.gz	PUTQSYZECYEQFB-CABCVRRESA-N	1	0	357.462	1.287	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc3nc(C)[nH]c32)C[C@@H]1n1ccnn1	ZINC001130079499	938672533	/nfs/dbraw/zinc/67/25/33/938672533.db2.gz	MZSZHUYHWZWGGC-SJORKVTESA-N	1	0	363.425	1.141	20	30		FDEDRO
CCCCCCCCCC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1	ZINC001130102107	938683891	/nfs/dbraw/zinc/68/38/91/938683891.db2.gz	HJAMASNFXFNJLL-CVEARBPZSA-N	1	0	364.494	1.246	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2coc3ccc(F)cc32)C[C@@H]1n1ccnn1	ZINC001130111637	938690545	/nfs/dbraw/zinc/69/05/45/938690545.db2.gz	JEXQJUHOGMEBNP-SJORKVTESA-N	1	0	367.384	1.842	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130112284	938690873	/nfs/dbraw/zinc/69/08/73/938690873.db2.gz	UNFVSZWQAFXEAW-JQHSSLGASA-N	1	0	353.426	1.110	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001130112477	938692102	/nfs/dbraw/zinc/69/21/02/938692102.db2.gz	BLWMJASVRQJPJR-UHOSZYNNSA-N	1	0	367.453	1.419	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(CC)c(C)s2)C[C@@H]1n1ccnn1	ZINC001130115021	938694331	/nfs/dbraw/zinc/69/43/31/938694331.db2.gz	PJCPOXGBKJLXFJ-CVEARBPZSA-N	1	0	357.483	1.889	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)c(CC)s2)C[C@@H]1n1ccnn1	ZINC001130115076	938694517	/nfs/dbraw/zinc/69/45/17/938694517.db2.gz	SKZBGOLMOUGYEJ-CABCVRRESA-N	1	0	357.483	1.889	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)CCc2cccc(F)c2)C[C@@H]1n1ccnn1	ZINC001130129665	938699154	/nfs/dbraw/zinc/69/91/54/938699154.db2.gz	RFYMHBNKBNYARZ-IPELMVKDSA-N	1	0	369.444	1.661	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2ccc(CC)cc2)C[C@@H]1n1ccnn1	ZINC001130120613	938703408	/nfs/dbraw/zinc/70/34/08/938703408.db2.gz	AABRCGDHVCCGJH-UXHICEINSA-N	1	0	365.481	1.838	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)COCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130122969	938705140	/nfs/dbraw/zinc/70/51/40/938705140.db2.gz	FLHRTKWSMQMCDB-MOPGFXCFSA-N	1	0	369.469	1.803	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCOCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130132933	938708015	/nfs/dbraw/zinc/70/80/15/938708015.db2.gz	XDUDWHBOKQKABD-MOPGFXCFSA-N	1	0	367.453	1.250	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCCn2cccc2)C[C@@H]1n1ccnn1	ZINC001130142725	938713793	/nfs/dbraw/zinc/71/37/93/938713793.db2.gz	FZXAYNZMQXCVPJ-MSOLQXFVSA-N	1	0	356.474	1.868	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c(C)nsc2C)C[C@@H]1n1ccnn1	ZINC001130143457	938714522	/nfs/dbraw/zinc/71/45/22/938714522.db2.gz	UYGRTSUXZANULS-CABCVRRESA-N	1	0	360.487	1.973	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2COc3ccccc32)C[C@@H]1n1ccnn1	ZINC001130150808	938715422	/nfs/dbraw/zinc/71/54/22/938715422.db2.gz	AIAWEXLOUNZPBW-ZACQAIPSSA-N	1	0	353.426	1.372	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C2(CCOC)CCCC2)C[C@@H]1n1ccnn1	ZINC001130155336	938718435	/nfs/dbraw/zinc/71/84/35/938718435.db2.gz	BCBUBWJXKXNBHY-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]([NH2+]Cc2cccc(C)c2)[C@@H](n2ccnn2)C1	ZINC001130148200	938722567	/nfs/dbraw/zinc/72/25/67/938722567.db2.gz	KCIUCSLGKJVPOB-MOPGFXCFSA-N	1	0	369.469	1.721	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C=Cc2ccco2)n1	ZINC001130177850	938725658	/nfs/dbraw/zinc/72/56/58/938725658.db2.gz	YBPRXDOLHMDDNW-KQLNYGGHSA-N	1	0	369.425	1.213	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)CC)n1	ZINC001130186465	938732209	/nfs/dbraw/zinc/73/22/09/938732209.db2.gz	DKBFIVAILADJOD-WXHSDQCUSA-N	1	0	355.870	1.682	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cocn2)[nH]1	ZINC001130195910	938739110	/nfs/dbraw/zinc/73/91/10/938739110.db2.gz	IIXRUHBUCJTHTR-JSGCOSHPSA-N	1	0	360.418	1.151	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)n1	ZINC001130198323	938740198	/nfs/dbraw/zinc/74/01/98/938740198.db2.gz	GFXYCWBTZJUHQP-ULQWZQFMSA-N	1	0	371.485	1.343	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC=CCC2)n1	ZINC001130182974	938741876	/nfs/dbraw/zinc/74/18/76/938741876.db2.gz	JLIJGMZCYUDLPY-PMPSAXMXSA-N	1	0	357.458	1.263	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)oc2C)[nH]1	ZINC001130183239	938742633	/nfs/dbraw/zinc/74/26/33/938742633.db2.gz	XUTNWVLZHVZHRI-ZFWWWQNUSA-N	1	0	359.430	1.593	20	30		FDEDRO
C[C@H](C#N)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]Cc2ccccc2)[nH]1	ZINC001130203269	938744957	/nfs/dbraw/zinc/74/49/57/938744957.db2.gz	WEPULTNMSPJIEN-KBMXLJTQSA-N	1	0	368.441	1.243	20	30		FDEDRO
CCC(CC)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)C#N)[nH]1	ZINC001130203326	938745138	/nfs/dbraw/zinc/74/51/38/938745138.db2.gz	YPJNWRNDYSFOAE-QEJZJMRPSA-N	1	0	362.478	1.479	20	30		FDEDRO
C#CCCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCC#C)[nH]1	ZINC001130204835	938745803	/nfs/dbraw/zinc/74/58/03/938745803.db2.gz	MFOMIQHSZGDWED-HOTGVXAUSA-N	1	0	357.458	1.100	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC2CCC2)n1	ZINC001130205249	938745982	/nfs/dbraw/zinc/74/59/82/938745982.db2.gz	VPEIHLFHAWCZJA-KBPBESRZSA-N	1	0	367.881	1.826	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2cccnc2)[nH]1	ZINC001130200556	938754227	/nfs/dbraw/zinc/75/42/27/938754227.db2.gz	PZQGPGTYCJXLGL-HOTGVXAUSA-N	1	0	370.457	1.097	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)/C=C/C2CC2)n1	ZINC001130202841	938755446	/nfs/dbraw/zinc/75/54/46/938755446.db2.gz	LLCKIRJTPJOCEX-CTXXGXLOSA-N	1	0	365.865	1.602	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCCC23CC3)n1	ZINC001130221111	938756820	/nfs/dbraw/zinc/75/68/20/938756820.db2.gz	VKFBRVBZBJOPGA-ZNMIVQPWSA-N	1	0	357.458	1.097	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC#CC)n[nH]1	ZINC001130232523	938764957	/nfs/dbraw/zinc/76/49/57/938764957.db2.gz	JVMXGWGEBJMJKN-JYJNAYRXSA-N	1	0	359.474	1.509	20	30		FDEDRO
C=C1CC(C)(C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CC#CC)n[nH]2)C1	ZINC001130234586	938765870	/nfs/dbraw/zinc/76/58/70/938765870.db2.gz	CAWVATCFSRQTJV-GJZGRUSLSA-N	1	0	357.458	1.263	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C(C)(F)F)CC2)[nH]1	ZINC001130237917	938767403	/nfs/dbraw/zinc/76/74/03/938767403.db2.gz	JVZZSSZHZXAGQM-RYUDHWBXSA-N	1	0	369.416	1.504	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2cccnc2C)[nH]1	ZINC001130237879	938767459	/nfs/dbraw/zinc/76/74/59/938767459.db2.gz	HWODFYNGGASOLJ-HOTGVXAUSA-N	1	0	370.457	1.015	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC(C)(C)C2)n1	ZINC001130240484	938768398	/nfs/dbraw/zinc/76/83/98/938768398.db2.gz	QWQYZPAYKHZZLS-ILXRZTDVSA-N	1	0	359.474	1.343	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c[nH]cc2C2CC2)[nH]1	ZINC001130244118	938770119	/nfs/dbraw/zinc/77/01/19/938770119.db2.gz	ALUIBYHJBATLPS-BBRMVZONSA-N	1	0	370.457	1.588	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)C(C)C)n1	ZINC001130244888	938770930	/nfs/dbraw/zinc/77/09/30/938770930.db2.gz	PGQRSJFHXRQSKG-RDBSUJKOSA-N	1	0	369.897	1.928	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)CCOC)[nH]1	ZINC001130251132	938774297	/nfs/dbraw/zinc/77/42/97/938774297.db2.gz	CYEFFGDVXGTARF-ILXRZTDVSA-N	1	0	365.478	1.132	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCCOCC=C)CC1	ZINC001130280919	938779213	/nfs/dbraw/zinc/77/92/13/938779213.db2.gz	CGHWEQHQUYJBCN-XLIONFOSSA-N	1	0	361.486	1.078	20	30		FDEDRO
CC(C)OCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)C#N)CC1	ZINC001130282046	938779743	/nfs/dbraw/zinc/77/97/43/938779743.db2.gz	OXICFSDQGYJEIE-KYJSFNMBSA-N	1	0	364.490	1.046	20	30		FDEDRO
C=CCCCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COC)CC1	ZINC001130266937	938783201	/nfs/dbraw/zinc/78/32/01/938783201.db2.gz	YWOUZQSXXCRAOU-XLIONFOSSA-N	1	0	365.518	1.855	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)/C=C/c2ccco2)CC1	ZINC001130271809	938785618	/nfs/dbraw/zinc/78/56/18/938785618.db2.gz	UCISQPUMFOVMRI-YQPNNZSJSA-N	1	0	355.438	1.401	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCSCC)CC1	ZINC001130274518	938786689	/nfs/dbraw/zinc/78/66/89/938786689.db2.gz	SCXKJFWSJCVBNO-QAPCUYQASA-N	1	0	353.532	1.791	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1	ZINC001130279097	938789324	/nfs/dbraw/zinc/78/93/24/938789324.db2.gz	REIWSWMHWCATMV-KYJSFNMBSA-N	1	0	369.481	1.413	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)CSC)CC1	ZINC001130285750	938790684	/nfs/dbraw/zinc/79/06/84/938790684.db2.gz	OLACPIFPVPVMNU-UNEWFSDZSA-N	1	0	353.532	1.647	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1	ZINC001130285796	938790725	/nfs/dbraw/zinc/79/07/25/938790725.db2.gz	PSIINESAUHGMET-APWZRJJASA-N	1	0	351.466	1.625	20	30		FDEDRO
C=CC(C)(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@H](C)O)CC1	ZINC001130295961	938798482	/nfs/dbraw/zinc/79/84/82/938798482.db2.gz	ZXAFVTXNSBHSDP-LXZKKBNFSA-N	1	0	351.491	1.055	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)C(C)(F)F)CC1	ZINC001130302055	938800614	/nfs/dbraw/zinc/80/06/14/938800614.db2.gz	NWWZIPZXDOALCT-XPKDYRNWSA-N	1	0	357.445	1.939	20	30		FDEDRO
C=CCCOCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCF)CC1	ZINC001130307552	938805153	/nfs/dbraw/zinc/80/51/53/938805153.db2.gz	UDOWAXZRRIJUJF-APWZRJJASA-N	1	0	369.481	1.414	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C(C)C)CC1	ZINC001130313308	938807745	/nfs/dbraw/zinc/80/77/45/938807745.db2.gz	UDDXVFCCGHSLGX-LESCRADOSA-N	1	0	351.491	1.461	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccncc1	ZINC000805810202	938830574	/nfs/dbraw/zinc/83/05/74/938830574.db2.gz	FZNUEKYXNCKYBG-BQFCYCMXSA-N	1	0	374.485	1.431	20	30		FDEDRO
COCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#Cc2ccccc2)C1	ZINC001130465810	938857895	/nfs/dbraw/zinc/85/78/95/938857895.db2.gz	PTGABOAIZARLJY-PKOBYXMFSA-N	1	0	352.438	1.002	20	30		FDEDRO
C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@H]1c1cn(C)cn1	ZINC001130502313	938885142	/nfs/dbraw/zinc/88/51/42/938885142.db2.gz	HERBYFVJOIGZOK-KCQAQPDRSA-N	1	0	353.467	1.309	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCCO2)C[C@H]1c1cn(C)cn1	ZINC001130509523	938888180	/nfs/dbraw/zinc/88/81/80/938888180.db2.gz	DVXJNDKDEPCNDP-XYJFISCASA-N	1	0	362.474	1.076	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCC(=O)NCC)C[C@H]1c1cn(C)cn1	ZINC001130527675	938899797	/nfs/dbraw/zinc/89/97/97/938899797.db2.gz	GHGOGBZKFFVLMA-DOTOQJQBSA-N	1	0	361.490	1.187	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ocnc2C)C1	ZINC001130576642	939879587	/nfs/dbraw/zinc/87/95/87/939879587.db2.gz	XXPQQFZDAFGKJL-FUHWJXTLSA-N	1	0	369.469	1.994	20	30		FDEDRO
Cn1cnc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2[NH2+]CCOCC2CCC2)c1	ZINC001130587116	939887522	/nfs/dbraw/zinc/88/75/22/939887522.db2.gz	GMRRJPNYPBADOQ-AZUAARDMSA-N	1	0	370.497	1.534	20	30		FDEDRO
Cn1cnc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2[NH2+]CCC[C@@H]2CCOC2)c1	ZINC001130587570	939888385	/nfs/dbraw/zinc/88/83/85/939888385.db2.gz	SVUCGIZPUMJHQU-WSTZPKSXSA-N	1	0	370.497	1.534	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3c(C)noc3C)C2)C1=O	ZINC001086641203	939889138	/nfs/dbraw/zinc/88/91/38/939889138.db2.gz	ZOFXVXUDOQVICX-ARFHVFGLSA-N	1	0	360.458	1.566	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCc2ccnn2C)C1	ZINC001130578456	939891151	/nfs/dbraw/zinc/89/11/51/939891151.db2.gz	NZQGXGKMRRYZRO-PKOBYXMFSA-N	1	0	368.485	1.084	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3n[nH]cc32)C[C@H]1c1cn(C)cn1	ZINC001130590261	939896692	/nfs/dbraw/zinc/89/66/92/939896692.db2.gz	HDRIXKKXEZWEPC-URLQWDBASA-N	1	0	368.485	1.723	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2(c3ccccn3)CC2)C[C@H]1c1cn(C)cn1	ZINC001130590340	939897032	/nfs/dbraw/zinc/89/70/32/939897032.db2.gz	LGRQKQYDTMYTAP-FUHWJXTLSA-N	1	0	363.465	1.454	20	30		FDEDRO
CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccc(OC)c(C#N)c1	ZINC000806329298	939900622	/nfs/dbraw/zinc/90/06/22/939900622.db2.gz	PZZSBCPLKXJFKC-MRXNPFEDSA-N	1	0	358.442	1.174	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2ccncn2)C[C@H]1c1cn(C)cn1	ZINC001130601142	939903919	/nfs/dbraw/zinc/90/39/19/939903919.db2.gz	VWCSPFBOEDPKGZ-FUHWJXTLSA-N	1	0	354.458	1.303	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)CNC(=O)OC(C)(C)C)c1C#N	ZINC000806381174	939907196	/nfs/dbraw/zinc/90/71/96/939907196.db2.gz	SOYRWDHEDWYNKX-NSHDSACASA-N	1	0	364.450	1.533	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]C[C@H]3CCOC3)C2)CCC1	ZINC001130610645	939907997	/nfs/dbraw/zinc/90/79/97/939907997.db2.gz	PEMMUFNELGHBNI-ZIFCJYIRSA-N	1	0	370.497	1.534	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2cc(C3CC3)no2)C[C@H]1c1cn(C)cn1	ZINC001130610816	939908288	/nfs/dbraw/zinc/90/82/88/939908288.db2.gz	RTAVTUQESFNBMO-QFBILLFUSA-N	1	0	367.453	1.436	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1C#N	ZINC000806389565	939911274	/nfs/dbraw/zinc/91/12/74/939911274.db2.gz	UBPCCHCGWGZUGK-QGZVFWFLSA-N	1	0	374.485	1.666	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCCC3)C[C@H]1c1cn(C)cn1	ZINC001130615256	939912826	/nfs/dbraw/zinc/91/28/26/939912826.db2.gz	NRXDKZRNNOMMFY-QFBILLFUSA-N	1	0	366.469	1.174	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]cn2)C[C@H]1c1cn(C)cn1	ZINC001130604753	939916036	/nfs/dbraw/zinc/91/60/36/939916036.db2.gz	MBBQHTGPSMFNDU-FUHWJXTLSA-N	1	0	356.474	1.626	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCC3)C[C@H]1c1cn(C)cn1	ZINC001130604695	939916063	/nfs/dbraw/zinc/91/60/63/939916063.db2.gz	JMGIVCJFUSONBI-QFBILLFUSA-N	1	0	368.485	1.727	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCCn2ccnn2)C[C@H]1c1cn(C)cn1	ZINC001130607637	939919357	/nfs/dbraw/zinc/91/93/57/939919357.db2.gz	GOGSMOPLEWLDGN-FUHWJXTLSA-N	1	0	371.489	1.342	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnc3ccccn23)C[C@H]1c1cn(C)cn1	ZINC001130622107	939920546	/nfs/dbraw/zinc/92/05/46/939920546.db2.gz	QFXFQSVVHZJOBW-DOTOQJQBSA-N	1	0	362.437	1.289	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)nc2)C[C@H]1c1cn(C)cn1	ZINC001130622194	939920835	/nfs/dbraw/zinc/92/08/35/939920835.db2.gz	VXGYHRJIYGTGQS-FUHWJXTLSA-N	1	0	366.469	1.102	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)c(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130626305	939923989	/nfs/dbraw/zinc/92/39/89/939923989.db2.gz	HXIJWEBIHDLNHE-QFBILLFUSA-N	1	0	351.454	1.653	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C(C)(C)COC)C[C@H]1c1cn(C)cn1	ZINC001130626318	939924015	/nfs/dbraw/zinc/92/40/15/939924015.db2.gz	IMPRODFQHMCAAX-DOTOQJQBSA-N	1	0	364.490	1.179	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ncc3ccccn32)C[C@H]1c1cn(C)cn1	ZINC001130626368	939924026	/nfs/dbraw/zinc/92/40/26/939924026.db2.gz	LHIUNYXXTNXFAZ-FUHWJXTLSA-N	1	0	364.453	1.842	20	30		FDEDRO
C[N@H+](Cc1ccccc1)C1CN(C(=O)NCCNc2ccc(C#N)cn2)C1	ZINC000806412223	939931256	/nfs/dbraw/zinc/93/12/56/939931256.db2.gz	NMWWATRCQOACNY-UHFFFAOYSA-N	1	0	364.453	1.891	20	30		FDEDRO
CC(C)(C)OC(=O)[C@@H](C#N)c1cccc(NCCOCCOCC[NH3+])n1	ZINC001170508538	939932786	/nfs/dbraw/zinc/93/27/86/939932786.db2.gz	SMGBZNVLJVCSFO-AWEZNQCLSA-N	1	0	364.446	1.434	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1c1cn(C)cn1	ZINC001130632597	939935893	/nfs/dbraw/zinc/93/58/93/939935893.db2.gz	IHUSFVDIFZWDTF-FUHWJXTLSA-N	1	0	370.501	1.637	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2cnn(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130635349	939937793	/nfs/dbraw/zinc/93/77/93/939937793.db2.gz	VZHLGHDNEFTWLZ-VDZJLULYSA-N	1	0	370.501	1.808	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc3cn[nH]c32)C[C@H]1c1cn(C)cn1	ZINC001130637594	939939324	/nfs/dbraw/zinc/93/93/24/939939324.db2.gz	AYWKKZRXYMTTHK-FUHWJXTLSA-N	1	0	362.437	1.518	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCn2ccnc2)C[C@H]1c1cn(C)cn1	ZINC001130637841	939939978	/nfs/dbraw/zinc/93/99/78/939939978.db2.gz	OFYACUIPBYAWTG-ZIFCJYIRSA-N	1	0	370.501	1.946	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCOC)C1	ZINC001130639530	939941568	/nfs/dbraw/zinc/94/15/68/939941568.db2.gz	ICPHBCVJWFFBJK-PKOBYXMFSA-N	1	0	360.502	1.924	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)co2)C[C@H]1c1cn(C)cn1	ZINC001130649469	939944646	/nfs/dbraw/zinc/94/46/46/939944646.db2.gz	NJPWQLAZZXNSRJ-DOTOQJQBSA-N	1	0	356.426	1.169	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2nc(Cl)cs2)C[C@H]1c1cn(C)cn1	ZINC001130652494	939946805	/nfs/dbraw/zinc/94/68/05/939946805.db2.gz	XLGWDMBPLPQAFW-WCQYABFASA-N	1	0	363.874	1.751	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1C#N	ZINC000806503843	939947306	/nfs/dbraw/zinc/94/73/06/939947306.db2.gz	UULPISQHDSKOPK-JKSUJKDBSA-N	1	0	358.442	1.172	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)C(F)(F)F)C[C@H]1c1cn(C)cn1	ZINC001130659411	939965530	/nfs/dbraw/zinc/96/55/30/939965530.db2.gz	LHYHHZROASXQMU-KCQAQPDRSA-N	1	0	356.392	1.916	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130659646	939965656	/nfs/dbraw/zinc/96/56/56/939965656.db2.gz	STPISQLMFCDTQZ-DZGCQCFKSA-N	1	0	358.446	1.023	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3ccncc3C2)C[C@H]1c1cn(C)cn1	ZINC001130678366	939968121	/nfs/dbraw/zinc/96/81/21/939968121.db2.gz	XGOPUQKZOHFVRO-IMFGXOCKSA-N	1	0	363.465	1.137	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2cc(C)on2)C[C@H]1c1cn(C)cn1	ZINC001130675094	939972947	/nfs/dbraw/zinc/97/29/47/939972947.db2.gz	LPVAZMHLXGTHDB-FUHWJXTLSA-N	1	0	355.442	1.257	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2(CF)CCC2)C[C@H]1c1cn(C)cn1	ZINC001130675612	939973489	/nfs/dbraw/zinc/97/34/89/939973489.db2.gz	YIGDQLAWXZJIDC-DOTOQJQBSA-N	1	0	364.465	1.647	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc3c2OCC3)C[C@H]1c1cn(C)cn1	ZINC001130682469	939981897	/nfs/dbraw/zinc/98/18/97/939981897.db2.gz	AKGOGCLFEOGQRQ-PKOBYXMFSA-N	1	0	364.449	1.576	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@H]1c1cn(C)cn1	ZINC001130682852	939982640	/nfs/dbraw/zinc/98/26/40/939982640.db2.gz	LWUPOYUDPINDMZ-GXTWGEPZSA-N	1	0	354.376	1.670	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn(CC)c2C)C[C@H]1c1cn(C)cn1	ZINC001130698209	939992307	/nfs/dbraw/zinc/99/23/07/939992307.db2.gz	FKBTUWDYDIJPOO-FUHWJXTLSA-N	1	0	356.474	1.719	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCCC)C2)nc1	ZINC001130714770	940006807	/nfs/dbraw/zinc/00/68/07/940006807.db2.gz	JDVXPZFQNNSSBS-QFBILLFUSA-N	1	0	351.454	1.794	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCc2c(C)n[nH]c2C)C[C@H]1c1cn(C)cn1	ZINC001130723487	940028646	/nfs/dbraw/zinc/02/86/46/940028646.db2.gz	MLZOUFHPFJVZAP-PKOBYXMFSA-N	1	0	370.501	1.853	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2cscn2)C[C@H]1c1cn(C)cn1	ZINC001130736537	940037341	/nfs/dbraw/zinc/03/73/41/940037341.db2.gz	GWVNFPDTFHBJSB-DOTOQJQBSA-N	1	0	357.483	1.417	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)C(N)=O)C[C@H]1c1cn(C)cn1	ZINC001130739789	940041706	/nfs/dbraw/zinc/04/17/06/940041706.db2.gz	OLOOSVDGLDGMHO-YQQAZPJKSA-N	1	0	361.490	1.028	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C/C=C\Cl)C1	ZINC001130741906	940046514	/nfs/dbraw/zinc/04/65/14/940046514.db2.gz	VWSJAXJIPASOJN-WJSYSJJLSA-N	1	0	352.866	1.648	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC3CCCCC3)n2)O1	ZINC001130753012	940061727	/nfs/dbraw/zinc/06/17/27/940061727.db2.gz	MPHQCSOCOZJKKT-JKSUJKDBSA-N	1	0	359.474	1.834	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccon3)n2)O1	ZINC001130762385	940070034	/nfs/dbraw/zinc/07/00/34/940070034.db2.gz	UCARUYKPMXOCJC-CMPLNLGQSA-N	1	0	366.809	1.285	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3oc(C)cc3C)n2)O1	ZINC001130775176	940092681	/nfs/dbraw/zinc/09/26/81/940092681.db2.gz	NLNSIGYZYYYJFA-LSDHHAIUSA-N	1	0	371.441	1.778	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCC3CCC3)n2)O1	ZINC001130775504	940093305	/nfs/dbraw/zinc/09/33/05/940093305.db2.gz	YRBRONOPBQAMFE-JKSUJKDBSA-N	1	0	359.474	1.834	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)OCC)n2)O1	ZINC001130767953	940103058	/nfs/dbraw/zinc/10/30/58/940103058.db2.gz	VWYQDYUCWKHSAK-HZSPNIEDSA-N	1	0	351.451	1.232	20	30		FDEDRO
C[C@H](C#N)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCCCF)O2)n[nH]1	ZINC001130769650	940107211	/nfs/dbraw/zinc/10/72/11/940107211.db2.gz	MXIFAAOFXDMSDD-HZSPNIEDSA-N	1	0	366.441	1.530	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3[C@@H]4CCC[C@@H]43)n2)O1	ZINC001130770035	940108664	/nfs/dbraw/zinc/10/86/64/940108664.db2.gz	VSIMUURFEMZQDL-DEQQHWRFSA-N	1	0	357.458	1.300	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)/C(C)=C\C)n2)O1	ZINC001130772189	940111160	/nfs/dbraw/zinc/11/11/60/940111160.db2.gz	CGVYULNFDQQQJB-LKMNKNEDSA-N	1	0	353.854	1.949	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)n3cccc3)n2)O1	ZINC001130777219	940128601	/nfs/dbraw/zinc/12/86/01/940128601.db2.gz	XHTMIWVPFIKOBM-OWCLPIDISA-N	1	0	370.457	1.317	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@](C)(O)C=C)n2)O1	ZINC001130778053	940131097	/nfs/dbraw/zinc/13/10/97/940131097.db2.gz	CMPVQFGGOMOVOH-IYOUNJFTSA-N	1	0	363.462	1.134	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[C@@H](C)OC)n2)O1	ZINC001130778417	940132137	/nfs/dbraw/zinc/13/21/37/940132137.db2.gz	XHEXDAGUVWXMCS-QLFBSQMISA-N	1	0	363.462	1.069	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC(C)(C)O)n2)O1	ZINC001130782964	940142176	/nfs/dbraw/zinc/14/21/76/940142176.db2.gz	HMLSAFHSFAVARB-UONOGXRCSA-N	1	0	365.478	1.358	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(C4CCC4)CCC3)n2)O1	ZINC001130794024	940144888	/nfs/dbraw/zinc/14/48/88/940144888.db2.gz	IGGNOEBLSOIOGZ-JKSUJKDBSA-N	1	0	371.485	1.834	20	30		FDEDRO
C=CC(C)(C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCF)O2)n[nH]1	ZINC001130795938	940148840	/nfs/dbraw/zinc/14/88/40/940148840.db2.gz	FORJLHVBSYZZNO-QWHCGFSZSA-N	1	0	353.442	1.802	20	30		FDEDRO
C#CCCCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC#CC)O2)n[nH]1	ZINC001130796018	940148962	/nfs/dbraw/zinc/14/89/62/940148962.db2.gz	FPSILPJWXUEWNG-DLBZAZTESA-N	1	0	371.485	1.838	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3C=CC=CC=C3)n2)O1	ZINC001130787374	940155787	/nfs/dbraw/zinc/15/57/87/940155787.db2.gz	NKDUOOZVFUHIMH-JKSUJKDBSA-N	1	0	353.426	1.162	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCC3(F)F)n2)O1	ZINC001130787249	940156050	/nfs/dbraw/zinc/15/60/50/940156050.db2.gz	HGRIKQBRSCLLCR-YNEHKIRRSA-N	1	0	369.416	1.852	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C34CCC(CC3)C4)n2)O1	ZINC001130790414	940164166	/nfs/dbraw/zinc/16/41/66/940164166.db2.gz	YVKLLUNYSZPDSN-UARSRXHTSA-N	1	0	359.474	1.997	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)c3ccco3)n2)O1	ZINC001130807410	940182447	/nfs/dbraw/zinc/18/24/47/940182447.db2.gz	WVDYSKPYHAFXSW-IJEWVQPXSA-N	1	0	371.441	1.651	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC34CC4)n2)O1	ZINC001130809445	940188145	/nfs/dbraw/zinc/18/81/45/940188145.db2.gz	YRPXXBZNZXGJRD-RWMBFGLXSA-N	1	0	365.865	1.783	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(CCC=C)CC3)n2)O1	ZINC001130802376	940197981	/nfs/dbraw/zinc/19/79/81/940197981.db2.gz	QTLKKJRAHLECSH-LSDHHAIUSA-N	1	0	357.458	1.610	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3csc(C)c3)n2)O1	ZINC001130813088	940211187	/nfs/dbraw/zinc/21/11/87/940211187.db2.gz	HSKHJQNMZVNYOR-UONOGXRCSA-N	1	0	359.455	1.548	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3nc(C)oc3C)n2)O1	ZINC001130813632	940212573	/nfs/dbraw/zinc/21/25/73/940212573.db2.gz	VEWSLRKRTPPECI-QWHCGFSZSA-N	1	0	360.418	1.335	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(CC)cc3)n2)O1	ZINC001130817535	940222815	/nfs/dbraw/zinc/22/28/15/940222815.db2.gz	RJHNGELTFYSGQM-DLBZAZTESA-N	1	0	367.453	1.740	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnc(C)cn2)C[C@H]1c1cncn1C	ZINC001130895847	940293343	/nfs/dbraw/zinc/29/33/43/940293343.db2.gz	MEHWDFDJHWNWPF-NVXWUHKLSA-N	1	0	354.458	1.683	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1	ZINC000807354110	940318852	/nfs/dbraw/zinc/31/88/52/940318852.db2.gz	FUUOCDHNWLURBO-DOTOQJQBSA-N	1	0	355.438	1.722	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)OCC)C[C@H]1c1cncn1C	ZINC001130924848	940321534	/nfs/dbraw/zinc/32/15/34/940321534.db2.gz	GSEZZFXZJXZXDF-NUJGCVRESA-N	1	0	364.490	1.322	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1c1cncn1C	ZINC001130930798	940340050	/nfs/dbraw/zinc/34/00/50/940340050.db2.gz	GVHKBDGKARFLEI-IAGOWNOFSA-N	1	0	356.474	1.247	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cccc(OC)n2)C1	ZINC001130931498	940340402	/nfs/dbraw/zinc/34/04/02/940340402.db2.gz	ZXQMUBSBSSQLLX-IAGOWNOFSA-N	1	0	369.469	1.874	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)CSC)C[C@H]1c1cncn1C	ZINC001130943983	940354273	/nfs/dbraw/zinc/35/42/73/940354273.db2.gz	QQTILHUGMXHSOA-ARFHVFGLSA-N	1	0	366.531	1.506	20	30		FDEDRO
C#CCC[C@H](O)CNC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1	ZINC000807469082	940368074	/nfs/dbraw/zinc/36/80/74/940368074.db2.gz	BYIWWQOPTFUVIE-KRWDZBQOSA-N	1	0	354.454	1.616	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2coc(C)c2)C[C@H]1c1cncn1C	ZINC001130969101	940376791	/nfs/dbraw/zinc/37/67/91/940376791.db2.gz	PDILFOCWKVWTOT-IAGOWNOFSA-N	1	0	358.442	1.722	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCn2cccn2)C1	ZINC001130971538	940380657	/nfs/dbraw/zinc/38/06/57/940380657.db2.gz	RXUKGDBESKJEQF-IAGOWNOFSA-N	1	0	354.458	1.004	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC[C@H]2CCOC2)C1	ZINC001130971534	940380718	/nfs/dbraw/zinc/38/07/18/940380718.db2.gz	RSOOOKXXBVWVHO-RCCFBDPRSA-N	1	0	358.486	1.534	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C/C=C/Cl)C1	ZINC001130982669	940397514	/nfs/dbraw/zinc/39/75/14/940397514.db2.gz	ASGNGRCAQFPLOW-WBKHZCDBSA-N	1	0	352.866	1.384	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1c1cncn1C	ZINC001130982751	940397541	/nfs/dbraw/zinc/39/75/41/940397541.db2.gz	FGBIQAGCJKZBBV-BRWVUGGUSA-N	1	0	360.502	1.964	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(Cl)cnn2C)C[C@H]1c1cncn1C	ZINC001130988541	940410264	/nfs/dbraw/zinc/41/02/64/940410264.db2.gz	HJGFWLQNKYRCJH-TZMCWYRMSA-N	1	0	362.865	1.581	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn(C3CCC3)c2)C[C@H]1c1cncn1C	ZINC001130991444	940414043	/nfs/dbraw/zinc/41/40/43/940414043.db2.gz	KTLJCNMFIDTWQC-QZTJIDSGSA-N	1	0	366.469	1.563	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(c3ccccn3)CC2)C[C@H]1c1cncn1C	ZINC001130991658	940414597	/nfs/dbraw/zinc/41/45/97/940414597.db2.gz	WESQAVCHDGBQLS-IAGOWNOFSA-N	1	0	363.465	1.454	20	30		FDEDRO
CCOCCC[NH2+][C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1c1cncn1C	ZINC001130985729	940422965	/nfs/dbraw/zinc/42/29/65/940422965.db2.gz	NDMKKAPYFGHBJF-IAGOWNOFSA-N	1	0	360.502	1.780	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(F)cncc2F)C[C@H]1c1cncn1C	ZINC001131001647	940428186	/nfs/dbraw/zinc/42/81/86/940428186.db2.gz	GTQPXAOVMNUPGF-IUODEOHRSA-N	1	0	361.396	1.867	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cn2ccc(C)n2)C[C@H]1c1cncn1C	ZINC001131001667	940428294	/nfs/dbraw/zinc/42/82/94/940428294.db2.gz	IHGNDLPCUGZGRE-CGTJXYLNSA-N	1	0	368.485	1.169	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCO)C1)OCC	ZINC001131003760	940429897	/nfs/dbraw/zinc/42/98/97/940429897.db2.gz	OGPWTMSLPDFIQV-JFIYKMOQSA-N	1	0	364.490	1.058	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOC)C1)OCC	ZINC001131004029	940430334	/nfs/dbraw/zinc/43/03/34/940430334.db2.gz	XPZAHBDFHNXPIC-JFIYKMOQSA-N	1	0	364.490	1.322	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3nccn32)C[C@H]1c1cncn1C	ZINC001131007611	940433871	/nfs/dbraw/zinc/43/38/71/940433871.db2.gz	CEQCGCNWXCIYOB-ZACQAIPSSA-N	1	0	366.469	1.102	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c(C)ncn2C)C[C@H]1c1cncn1C	ZINC001131010504	940441540	/nfs/dbraw/zinc/44/15/40/940441540.db2.gz	OFHJAXXVDBASIF-HZPDHXFCSA-N	1	0	356.474	1.626	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3c2CCCC3)C[C@H]1c1cncn1C	ZINC001131020451	940452950	/nfs/dbraw/zinc/45/29/50/940452950.db2.gz	VJMJIGJREXUGBI-NVXWUHKLSA-N	1	0	366.469	1.243	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cncn2C)C[C@H]1c1cncn1C	ZINC001131025926	940458976	/nfs/dbraw/zinc/45/89/76/940458976.db2.gz	KMKOOLOJNYSYEE-ARFHVFGLSA-N	1	0	356.474	1.706	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cn2nc(C)cc2C)C[C@H]1c1cncn1C	ZINC001131025931	940458992	/nfs/dbraw/zinc/45/89/92/940458992.db2.gz	KTAXDDPVLUAICP-QZTJIDSGSA-N	1	0	370.501	1.784	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccn3ccccc23)C[C@H]1c1cncn1C	ZINC001131028713	940463102	/nfs/dbraw/zinc/46/31/02/940463102.db2.gz	DYWPOFGCRMPEQM-QZTJIDSGSA-N	1	0	361.449	1.894	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1cncn1C	ZINC001131035575	940464913	/nfs/dbraw/zinc/46/49/13/940464913.db2.gz	HNSKGBJMDNWYRA-PZEIRFODSA-N	1	0	370.497	1.694	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)CC(F)(F)F)C[C@H]1c1cncn1C	ZINC001131035739	940465134	/nfs/dbraw/zinc/46/51/34/940465134.db2.gz	PHKUDYDAOFHFCV-MGPQQGTHSA-N	1	0	356.392	1.916	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C[C@H]1c1cncn1C	ZINC001131035625	940465237	/nfs/dbraw/zinc/46/52/37/940465237.db2.gz	KKBGOSSZBHZKIV-NAIAOIPJSA-N	1	0	370.497	1.390	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2nccc3occc32)C[C@H]1c1cncn1C	ZINC001131033489	940470138	/nfs/dbraw/zinc/47/01/38/940470138.db2.gz	QUHRDCBBRRGTJG-HZPDHXFCSA-N	1	0	363.421	1.782	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)c2cnn(C)c2)C[C@H]1c1cncn1C	ZINC001131041947	940471593	/nfs/dbraw/zinc/47/15/93/940471593.db2.gz	GVPORDNMHXHAQA-CGTJXYLNSA-N	1	0	368.485	1.255	20	30		FDEDRO
CON=C(C(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1)c1csc(N)n1	ZINC000822940243	945323599	/nfs/dbraw/zinc/32/35/99/945323599.db2.gz	WWNRQGJFURDSQB-LBPRGKRZSA-N	1	0	365.434	1.634	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cccnc2C)C[C@H]1c1cncn1C	ZINC001131057274	940477649	/nfs/dbraw/zinc/47/76/49/940477649.db2.gz	BCXREWPKAOSQLB-QZTJIDSGSA-N	1	0	369.469	1.524	20	30		FDEDRO
C=CCNC(=O)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2CCC)CC1	ZINC001098473896	940480002	/nfs/dbraw/zinc/48/00/02/940480002.db2.gz	DGRPANCUNBKWSI-NVXWUHKLSA-N	1	0	351.491	1.010	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1c1cncn1C	ZINC001131055850	940481781	/nfs/dbraw/zinc/48/17/81/940481781.db2.gz	PCTTVVVIRWVRSF-DJIMGWMZSA-N	1	0	357.458	1.890	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2cccnc2)C[C@H]1c1cncn1C	ZINC001131083793	940488926	/nfs/dbraw/zinc/48/89/26/940488926.db2.gz	BJCQCTORXSHGDZ-BHIYHBOVSA-N	1	0	365.481	1.916	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCC2)C[C@H]1c1cncn1C	ZINC001131086072	940493219	/nfs/dbraw/zinc/49/32/19/940493219.db2.gz	FIWAZNJXLGFKAK-WJFTUGDTSA-N	1	0	372.513	1.943	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2(CC)CCOCC2)C[C@H]1c1cncn1C	ZINC001131096960	940497534	/nfs/dbraw/zinc/49/75/34/940497534.db2.gz	SEIGYDRRZRIVKV-IAGOWNOFSA-N	1	0	358.486	1.534	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cn(C(C)C)nc2C)C[C@H]1c1cncn1C	ZINC001131107807	940502275	/nfs/dbraw/zinc/50/22/75/940502275.db2.gz	AAHPRYFGPVKJSQ-QZTJIDSGSA-N	1	0	368.485	1.727	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2coc(CCC)n2)C[C@H]1c1cncn1C	ZINC001131108311	940502672	/nfs/dbraw/zinc/50/26/72/940502672.db2.gz	OTQJTJWKMOIUQR-HUUCEWRRSA-N	1	0	355.442	1.582	20	30		FDEDRO
C[NH+](C)CCN1c2ccccc2C(=NNC2=N[C@@H]3CCCC[C@@H]3N2)C1=O	ZINC000807979073	940504046	/nfs/dbraw/zinc/50/40/46/940504046.db2.gz	MCSFQLBFLMPJJM-GASCZTMLSA-N	1	0	354.458	1.159	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cncnc2C2CC2)C[C@H]1c1cncn1C	ZINC001131117882	940504740	/nfs/dbraw/zinc/50/47/40/940504740.db2.gz	XBDOIGRQUUBNGZ-IAGOWNOFSA-N	1	0	364.453	1.309	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCOc2ccccc2)C[C@H]1c1cncn1C	ZINC001131123338	940507018	/nfs/dbraw/zinc/50/70/18/940507018.db2.gz	CHVPGGNTLHLAKC-RTBURBONSA-N	1	0	366.465	1.797	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCn2cccn2)C[C@H]1c1cncn1C	ZINC001131123711	940507273	/nfs/dbraw/zinc/50/72/73/940507273.db2.gz	OSXAARQEMMAAIP-IAGOWNOFSA-N	1	0	356.474	1.557	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCCOC)C1	ZINC001131132830	940512726	/nfs/dbraw/zinc/51/27/26/940512726.db2.gz	UDFPYJHMBOJWHW-GVDBMIGSSA-N	1	0	364.490	1.322	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2C2CC2)C[C@H]1c1cncn1C	ZINC001131136682	940513672	/nfs/dbraw/zinc/51/36/72/940513672.db2.gz	ZAFSPRHJJUCRQX-IAGOWNOFSA-N	1	0	366.469	1.252	20	30		FDEDRO
C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@@H+]([C@H]1CC[C@@H](C(=O)OC)C1)C2	ZINC001170542675	940515063	/nfs/dbraw/zinc/51/50/63/940515063.db2.gz	KRVDXYPWCQHILX-FUHIMQAGSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=CCOc1ccc(/C=C\C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)cc1OC	ZINC000808156553	940523370	/nfs/dbraw/zinc/52/33/70/940523370.db2.gz	LEIFXKIEGRWNCF-QGNVGDHZSA-N	1	0	372.465	1.941	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]Cc1cc(Br)c2c(c1)OCCO2	ZINC000747461433	940528088	/nfs/dbraw/zinc/52/80/88/940528088.db2.gz	FWOUPUGVJHYKRI-UHFFFAOYSA-N	1	0	353.216	1.449	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3nccnc3N)C2)cc1F	ZINC001086661831	940535856	/nfs/dbraw/zinc/53/58/56/940535856.db2.gz	KZCUERAIQBRYDR-SWLSCSKDSA-N	1	0	368.416	1.758	20	30		FDEDRO
CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC[NH2+]CC(=O)NCC#Cc1ccccc1	ZINC001131215389	940535942	/nfs/dbraw/zinc/53/59/42/940535942.db2.gz	MACFIIODASPVLJ-QZTJIDSGSA-N	1	0	355.482	1.542	20	30		FDEDRO
Cc1c(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)nnn1C	ZINC001086663859	940544209	/nfs/dbraw/zinc/54/42/09/940544209.db2.gz	LNDMFYOEMGPQCQ-DLBZAZTESA-N	1	0	352.442	1.684	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCOC)C1	ZINC001131297978	940545098	/nfs/dbraw/zinc/54/50/98/940545098.db2.gz	QCNNEPFGHLRNSQ-XHSDSOJGSA-N	1	0	351.447	1.095	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)COC)C1	ZINC001131294551	940546307	/nfs/dbraw/zinc/54/63/07/940546307.db2.gz	KCAMDNVZOWKVHA-ZACQAIPSSA-N	1	0	365.474	1.485	20	30		FDEDRO
C=CCCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCCOC)C[C@H]32)C1	ZINC001131303871	940547589	/nfs/dbraw/zinc/54/75/89/940547589.db2.gz	GIBOSOXJZSLYHL-XHSDSOJGSA-N	1	0	351.447	1.095	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCO[C@H]2CC)CC1	ZINC001131369417	940557603	/nfs/dbraw/zinc/55/76/03/940557603.db2.gz	GBWGLMAJLLXYHN-KSZLIROESA-N	1	0	365.518	1.807	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCO[C@H]2CC)CC1	ZINC001131369418	940557643	/nfs/dbraw/zinc/55/76/43/940557643.db2.gz	GBWGLMAJLLXYHN-KURKYZTESA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(=O)NCC[N@@H+](CCCC(C)C)CC1	ZINC001131383399	940559249	/nfs/dbraw/zinc/55/92/49/940559249.db2.gz	GFDBDXIXVDXJEM-MSOLQXFVSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC001131414515	940563829	/nfs/dbraw/zinc/56/38/29/940563829.db2.gz	GKIAEYNWSHWVSJ-SQNIBIBYSA-N	1	0	352.475	1.354	20	30		FDEDRO
CC(C)Cn1ncnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1	ZINC001086668193	940565668	/nfs/dbraw/zinc/56/56/68/940565668.db2.gz	JFBOHVMCSDECQF-GOEBONIOSA-N	1	0	369.473	1.822	20	30		FDEDRO
C[C@@H]1CCCN(C(=O)C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1	ZINC001086668356	940566161	/nfs/dbraw/zinc/56/61/61/940566161.db2.gz	NQNJGXNITLBBKV-HLLBOEOZSA-N	1	0	371.485	1.633	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCC)CC1	ZINC001131424814	940566705	/nfs/dbraw/zinc/56/67/05/940566705.db2.gz	WTOQZWRMBOEVPI-WDYCEAGBSA-N	1	0	363.502	1.300	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)C(C)=O)CC1	ZINC001131429466	940567328	/nfs/dbraw/zinc/56/73/28/940567328.db2.gz	HNYWJXMLFZOYAZ-MJGOQNOKSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)NC(C)=O)CC1	ZINC001131417055	940567681	/nfs/dbraw/zinc/56/76/81/940567681.db2.gz	TWWZNGBJZQGJNB-MAZHCROVSA-N	1	0	357.882	1.249	20	30		FDEDRO
CCCCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)C#N)CC1	ZINC001131451029	940604277	/nfs/dbraw/zinc/60/42/77/940604277.db2.gz	DHYDPJCNFNQZRZ-LESCRADOSA-N	1	0	364.490	1.048	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2cccnc2)CC1	ZINC001131467692	940624050	/nfs/dbraw/zinc/62/40/50/940624050.db2.gz	LPUNCJRQOQAGHJ-CTNGQTDRSA-N	1	0	371.481	1.260	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2CN(C(C)=O)C2)CC1	ZINC001131487831	940631822	/nfs/dbraw/zinc/63/18/22/940631822.db2.gz	ILNYOQTUWVKHGS-MOPGFXCFSA-N	1	0	363.502	1.417	20	30		FDEDRO
CC(C)C#CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCC[C@@H](C)O)CC1	ZINC001131495870	940647010	/nfs/dbraw/zinc/64/70/10/940647010.db2.gz	IKJADTCQNGQJIO-POAQFYNOSA-N	1	0	350.503	1.793	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2ncnn2)CC1	ZINC001131498696	940648964	/nfs/dbraw/zinc/64/89/64/940648964.db2.gz	KAHQLSVZHMPDAJ-LESCRADOSA-N	1	0	362.478	1.014	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1	ZINC001131510328	940658785	/nfs/dbraw/zinc/65/87/85/940658785.db2.gz	BARYTTMHNYSEII-SCTDSRPQSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2nncn2C)CC1	ZINC001131510447	940659411	/nfs/dbraw/zinc/65/94/11/940659411.db2.gz	JABZGZDZPKIDDV-APWZRJJASA-N	1	0	361.490	1.657	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCc3nccn32)CC1	ZINC001131517099	940684265	/nfs/dbraw/zinc/68/42/65/940684265.db2.gz	KICDGMMWFRSAKC-HBFSDRIKSA-N	1	0	370.497	1.770	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2[nH]c(=O)[nH]c2C)CC1	ZINC001131517425	940684482	/nfs/dbraw/zinc/68/44/82/940684482.db2.gz	PZOYXNOVTHWDLS-WBVHZDCISA-N	1	0	362.474	1.989	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)NC)CC1	ZINC001131512101	940694118	/nfs/dbraw/zinc/69/41/18/940694118.db2.gz	NJMMSKVTPARYIZ-KYJSFNMBSA-N	1	0	366.506	1.256	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2cncnc2)CC1	ZINC001131533673	940704739	/nfs/dbraw/zinc/70/47/39/940704739.db2.gz	QKLBDXRLBFLENE-QUCCMNQESA-N	1	0	358.486	1.971	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@]2(COC)CCOC2)CC1	ZINC001131538141	940726261	/nfs/dbraw/zinc/72/62/61/940726261.db2.gz	HQQSYILCDDCGDS-HBFSDRIKSA-N	1	0	366.502	1.601	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](OC)C(C)C)CC1	ZINC001131555466	940730586	/nfs/dbraw/zinc/73/05/86/940730586.db2.gz	HVLHENAQVAKWOW-QRVBRYPASA-N	1	0	368.518	1.846	20	30		FDEDRO
C=CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NC2CC2)CC1	ZINC001131555645	940730689	/nfs/dbraw/zinc/73/06/89/940730689.db2.gz	PWXMDMLJGZIUMB-XLIONFOSSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C1CC(C)(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(=O)N(C)C)CC2)C1	ZINC001131559725	940733858	/nfs/dbraw/zinc/73/38/58/940733858.db2.gz	FKPDRDINUHNNIL-AEFFLSMTSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCN(C)C2=O)CC1	ZINC001131548452	940737577	/nfs/dbraw/zinc/73/75/77/940737577.db2.gz	SOSYGKOMQOZPGP-KURKYZTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NC)CC1	ZINC001131550301	940738979	/nfs/dbraw/zinc/73/89/79/940738979.db2.gz	SEKLHSRYWGMJSK-OGWOLHLISA-N	1	0	351.491	1.320	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NCC)CC1	ZINC001131550250	940738989	/nfs/dbraw/zinc/73/89/89/940738989.db2.gz	QBFVQFILSLIFIS-MDYRTPRTSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)CNC(C)=O)CC1	ZINC001131578378	940755687	/nfs/dbraw/zinc/75/56/87/940755687.db2.gz	UQRXAPXLKMDCMP-SJORKVTESA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2oncc2C)CC1	ZINC001131587994	940756502	/nfs/dbraw/zinc/75/65/02/940756502.db2.gz	KIIKDSODWARQQD-AEFFLSMTSA-N	1	0	363.458	1.785	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCCCOC)CC1	ZINC001131590573	940760287	/nfs/dbraw/zinc/76/02/87/940760287.db2.gz	JRNOFXASSMNSSJ-MJGOQNOKSA-N	1	0	352.475	1.049	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)NC(C)=O)CC1	ZINC001131580064	940765696	/nfs/dbraw/zinc/76/56/96/940765696.db2.gz	IBCAKRIHPIASSC-MSOLQXFVSA-N	1	0	365.518	1.853	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn(C(C)C)nn2)CC1	ZINC001131584673	940770403	/nfs/dbraw/zinc/77/04/03/940770403.db2.gz	AUQKDGXEWOXOPP-AEFFLSMTSA-N	1	0	359.474	1.482	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccn(C)c2=O)CC1	ZINC001131594936	940777430	/nfs/dbraw/zinc/77/74/30/940777430.db2.gz	IPCULONLUYPSQR-MSOLQXFVSA-N	1	0	357.454	1.008	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccn(C)c2=O)CC1	ZINC001131595017	940777622	/nfs/dbraw/zinc/77/76/22/940777622.db2.gz	LIFWFSKDMBYPFJ-MSOLQXFVSA-N	1	0	357.454	1.008	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)c2ccccc2)CC1	ZINC001131597036	940780351	/nfs/dbraw/zinc/78/03/51/940780351.db2.gz	HXGMFKCYYGCUBL-QUCCMNQESA-N	1	0	371.481	1.588	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1	ZINC001131597573	940781817	/nfs/dbraw/zinc/78/18/17/940781817.db2.gz	MEHBAFFBERGTFX-FHLIZLRMSA-N	1	0	358.486	1.253	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](CCC)NC(N)=O)CC1	ZINC001131600003	940783623	/nfs/dbraw/zinc/78/36/23/940783623.db2.gz	RWTISGGMCOFOJR-ZACQAIPSSA-N	1	0	366.506	1.385	20	30		FDEDRO
COc1ccccc1[C@@H](O)C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000809204612	940784839	/nfs/dbraw/zinc/78/48/39/940784839.db2.gz	ZWYPWEDOLJPQHO-HNNXBMFYSA-N	1	0	361.423	1.059	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c(C)noc2C)CC1	ZINC001131601515	940785202	/nfs/dbraw/zinc/78/52/02/940785202.db2.gz	GNEWXZSCUXRKDR-QUCCMNQESA-N	1	0	359.470	1.843	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCC(=O)N2C)CC1	ZINC001131601358	940785353	/nfs/dbraw/zinc/78/53/53/940785353.db2.gz	BVBNAZJHMTXFRH-LMMKCTJWSA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCc3c[nH]nc3C2)CC1	ZINC001131607071	940786553	/nfs/dbraw/zinc/78/65/53/940786553.db2.gz	VSTFBCGNHAHZKH-HQRMLTQVSA-N	1	0	370.497	1.524	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)NC(=O)NC)CC1	ZINC001131608637	940788646	/nfs/dbraw/zinc/78/86/46/940788646.db2.gz	JHUWOQXNKLBZMG-CVEARBPZSA-N	1	0	366.506	1.256	20	30		FDEDRO
N#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1	ZINC001131610146	940789387	/nfs/dbraw/zinc/78/93/87/940789387.db2.gz	BHNBJQYYNHTNBH-QUCCMNQESA-N	1	0	362.518	1.762	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCC)c1	ZINC000809236867	940791236	/nfs/dbraw/zinc/79/12/36/940791236.db2.gz	VGKRUXIWWOBREG-HNNXBMFYSA-N	1	0	365.499	1.448	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N(CC[NH+](CC)CC)CC(C)C)[C@H]1CCCO1	ZINC000809304770	940809304	/nfs/dbraw/zinc/80/93/04/940809304.db2.gz	QATPIHBEQZEDNM-DLBZAZTESA-N	1	0	351.491	1.110	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)[C@@H]1CCCO1	ZINC000809310361	940814837	/nfs/dbraw/zinc/81/48/37/940814837.db2.gz	RDDJAVXCOPLYFL-FHWLQOOXSA-N	1	0	369.465	1.016	20	30		FDEDRO
CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)C1	ZINC000809504710	940846912	/nfs/dbraw/zinc/84/69/12/940846912.db2.gz	RORUJSNXCSYJDT-MRXNPFEDSA-N	1	0	358.442	1.126	20	30		FDEDRO
C[C@H](C#N)Oc1ccc(C[NH+]2CCC(C(=O)N3CCN(C)CC3)CC2)cc1	ZINC000809732346	940888021	/nfs/dbraw/zinc/88/80/21/940888021.db2.gz	BZZOLROYBZWECP-QGZVFWFLSA-N	1	0	370.497	1.963	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1	ZINC000809801985	940897390	/nfs/dbraw/zinc/89/73/90/940897390.db2.gz	LYGSXQXVSFQASK-UHFFFAOYSA-N	1	0	368.275	1.432	20	30		FDEDRO
Cc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1C1CC1	ZINC001086675961	940923520	/nfs/dbraw/zinc/92/35/20/940923520.db2.gz	HRPXKXUGSIOYOB-UONOGXRCSA-N	1	0	367.457	1.810	20	30		FDEDRO
COc1nc(N(CC(C)(C)[NH3+])S(=O)(=O)c2ccccc2)ccc1C#N	ZINC001170595372	940940918	/nfs/dbraw/zinc/94/09/18/940940918.db2.gz	JFVPIQDOKMAJJK-UHFFFAOYSA-N	1	0	360.439	1.894	20	30		FDEDRO
C#CCN1CCN(C(=O)C[NH2+][C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)CC1	ZINC000810060425	940950042	/nfs/dbraw/zinc/95/00/42/940950042.db2.gz	SMXGJHCRONCMMC-QUCCMNQESA-N	1	0	374.916	1.452	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1F	ZINC000810369141	940976759	/nfs/dbraw/zinc/97/67/59/940976759.db2.gz	DUNSKEYQAXZJNY-INIZCTEOSA-N	1	0	374.416	1.395	20	30		FDEDRO
CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000810495477	940997222	/nfs/dbraw/zinc/99/72/22/940997222.db2.gz	FNFDKOVAGWDZIL-ZDUSSCGKSA-N	1	0	364.421	1.903	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnns2)C1	ZINC001086698814	941169314	/nfs/dbraw/zinc/16/93/14/941169314.db2.gz	BIYGXEIWYCZGDJ-XNISGKROSA-N	1	0	350.488	1.894	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=O)NCC2(SC)CC[NH+](C)CC2)c1	ZINC000811942897	941173794	/nfs/dbraw/zinc/17/37/94/941173794.db2.gz	HXYIPVHOCOZUBQ-UHFFFAOYSA-N	1	0	374.510	1.733	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C[N@@H+](CC)CCC)cc1	ZINC000811963350	941175241	/nfs/dbraw/zinc/17/52/41/941175241.db2.gz	LEWNSVQQOCCGFA-OAHLLOKOSA-N	1	0	365.499	1.448	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N[C@@H]2CN(c3ccncc3C#N)C[C@H]2O)CCCCC1	ZINC001090506971	941192588	/nfs/dbraw/zinc/19/25/88/941192588.db2.gz	QWKYWIAAGQSTFO-SJLPKXTDSA-N	1	0	371.485	1.131	20	30		FDEDRO
CON(C)C(=O)C1CC[NH+](Cn2c(C)nnc2-c2cccc(C#N)c2)CC1	ZINC000812292963	941193550	/nfs/dbraw/zinc/19/35/50/941193550.db2.gz	ODVLPVYCGRVNCS-UHFFFAOYSA-N	1	0	368.441	1.815	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)NCCc2ccccc2C)CC1	ZINC000747818422	941273496	/nfs/dbraw/zinc/27/34/96/941273496.db2.gz	QURRYALNKWCHDP-KRWDZBQOSA-N	1	0	355.482	1.504	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](Cc2cc(=O)oc3c(C)c(O)ccc23)CC1	ZINC000747822783	941279581	/nfs/dbraw/zinc/27/95/81/941279581.db2.gz	FPWCVDIVRHSKAZ-UHFFFAOYSA-N	1	0	354.406	1.768	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(F)cc1	ZINC000813037764	941313799	/nfs/dbraw/zinc/31/37/99/941313799.db2.gz	FKQXGFLLWNTXMF-OAHLLOKOSA-N	1	0	357.389	1.013	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]Cc1cnc(Br)s1	ZINC001134053026	941529980	/nfs/dbraw/zinc/52/99/80/941529980.db2.gz	KXCUQLMPGWVATC-MNOVXSKESA-N	1	0	360.277	1.703	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1	ZINC001134052765	941539604	/nfs/dbraw/zinc/53/96/04/941539604.db2.gz	BCGPTJJUDBHHCZ-XKQJLSEDSA-N	1	0	366.483	1.448	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1cc(Cl)ccc1F	ZINC001134052809	941539635	/nfs/dbraw/zinc/53/96/35/941539635.db2.gz	CCTYRGPBXLLSMG-DOMZBBRYSA-N	1	0	369.824	1.715	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)COCc1ccccc1F	ZINC001134061992	941540741	/nfs/dbraw/zinc/54/07/41/941540741.db2.gz	MOIMELHQGPQEPX-NUJGCVRESA-N	1	0	366.433	1.000	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)Cc1cccs1	ZINC001134063382	941541610	/nfs/dbraw/zinc/54/16/10/941541610.db2.gz	HLULWEOCQRRHEG-CABCVRRESA-N	1	0	351.472	1.003	20	30		FDEDRO
C#CCN(C(=O)c1cccc(C(=O)N2CCCC2)n1)C1CC[NH+](C)CC1	ZINC001134266965	941615759	/nfs/dbraw/zinc/61/57/59/941615759.db2.gz	YFDXAVMBDWVDER-UHFFFAOYSA-N	1	0	354.454	1.487	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccnc2OC)C1	ZINC001086720909	941620572	/nfs/dbraw/zinc/62/05/72/941620572.db2.gz	UQOXLDSKSFGPEO-UHOSZYNNSA-N	1	0	370.497	1.562	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nc(C)oc2C)C1	ZINC001086721248	941645075	/nfs/dbraw/zinc/64/50/75/941645075.db2.gz	NRNDBTIUPGINOU-SCTDSRPQSA-N	1	0	358.486	1.764	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001086721683	941649623	/nfs/dbraw/zinc/64/96/23/941649623.db2.gz	NDJJZMBDFMZKAM-SAKMYQHLSA-N	1	0	357.454	1.737	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@@H](O)COCc2cccc(OC)c2)CC1	ZINC000747969170	941707201	/nfs/dbraw/zinc/70/72/01/941707201.db2.gz	UIXDJFQTUJSKNH-GOSISDBHSA-N	1	0	360.454	1.034	20	30		FDEDRO
CC(=NNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1	ZINC000814690291	941708484	/nfs/dbraw/zinc/70/84/84/941708484.db2.gz	CFIPCZJTUBPFQZ-UHFFFAOYSA-N	1	0	354.432	1.899	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@@H](c2ccco2)[NH+](CC)CC)CC1	ZINC000747983083	941730887	/nfs/dbraw/zinc/73/08/87/941730887.db2.gz	ASSNXVDXXCIPEE-KRWDZBQOSA-N	1	0	374.485	1.834	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(F)c(C(=O)OCC)c1	ZINC000815083069	941778418	/nfs/dbraw/zinc/77/84/18/941778418.db2.gz	OGSUNAVMXMMCKI-UHFFFAOYSA-N	1	0	356.419	1.236	20	30		FDEDRO
O=C(NCC[NH2+]Cc1conc1Cc1ccccc1)C1N=CC=CC1=O	ZINC000815126974	941781698	/nfs/dbraw/zinc/78/16/98/941781698.db2.gz	UQMRXVACKXDRFZ-VHEBQXMUSA-N	1	0	352.394	1.881	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CCc1nnn(C(C)(C)C)n1	ZINC001135064846	941881474	/nfs/dbraw/zinc/88/14/74/941881474.db2.gz	OCTSLTFZRCBWCJ-HOCLYGCPSA-N	1	0	364.494	1.048	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)COc1ccccc1	ZINC001135064664	941881564	/nfs/dbraw/zinc/88/15/64/941881564.db2.gz	HDDQOGTXIZEZHJ-NEWSRXKRSA-N	1	0	362.470	1.503	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCN(C(C)(C)C)C1=O	ZINC001135065061	941881715	/nfs/dbraw/zinc/88/17/15/941881715.db2.gz	UBFYZVXWIQKVAK-JYJNAYRXSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCN(c2ccc(C)cc2)C1=O	ZINC001135145445	941929072	/nfs/dbraw/zinc/92/90/72/941929072.db2.gz	IOEGFELUSSZOQV-OTWHNJEPSA-N	1	0	371.481	1.787	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCc2ccccc21	ZINC001135145746	941929671	/nfs/dbraw/zinc/92/96/71/941929671.db2.gz	RVMBXTSPMKUZKR-LPHOPBHVSA-N	1	0	357.454	1.263	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2nnn(Cc3cc(C)no3)c2C)CC1	ZINC000815675537	941935498	/nfs/dbraw/zinc/93/54/98/941935498.db2.gz	NDUALQYILZOYLC-UHFFFAOYSA-N	1	0	356.430	1.149	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)cc1-c1cnn(C)c1	ZINC000815860702	941995866	/nfs/dbraw/zinc/99/58/66/941995866.db2.gz	XDMWNMNQMZDMFZ-UHFFFAOYSA-N	1	0	371.416	1.236	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(cnn2C(F)F)c1	ZINC000815861500	941996827	/nfs/dbraw/zinc/99/68/27/941996827.db2.gz	LPUCMSMKWUIFFL-UHFFFAOYSA-N	1	0	363.368	1.441	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(Oc2ccncc2)c1	ZINC000815861390	941997019	/nfs/dbraw/zinc/99/70/19/941997019.db2.gz	GKCPPRSSQSYCKQ-UHFFFAOYSA-N	1	0	366.421	1.884	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1nc(CC(F)(F)F)cs1	ZINC000815860923	941997659	/nfs/dbraw/zinc/99/76/59/941997659.db2.gz	IFCQVPATIKBWQL-UHFFFAOYSA-N	1	0	362.377	1.258	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccccc1CC)C2	ZINC001110705983	970874556	/nfs/dbraw/zinc/87/45/56/970874556.db2.gz	PWZWXNKOAMRGSF-XLNTUCKNSA-N	1	0	367.493	1.651	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C)cc(C)n3)C2)C1=O	ZINC001086740003	942177728	/nfs/dbraw/zinc/17/77/28/942177728.db2.gz	DSXQWKFZERMRPJ-RCCFBDPRSA-N	1	0	370.497	1.973	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCC(=O)NC3)C2)cc1	ZINC001086741508	942185823	/nfs/dbraw/zinc/18/58/23/942185823.db2.gz	VJOKHBGHNQNLFU-RCCFBDPRSA-N	1	0	354.454	1.459	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cn(C)ccc2=O)C1	ZINC001086754482	942317837	/nfs/dbraw/zinc/31/78/37/942317837.db2.gz	TVUWXLHTIPAJDS-QWHCGFSZSA-N	1	0	368.275	1.782	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)c1	ZINC001086781231	942483597	/nfs/dbraw/zinc/48/35/97/942483597.db2.gz	HTAAIIIBKIUATE-LNSZTPPCSA-N	1	0	357.429	1.964	20	30		FDEDRO
CN1C(=O)CC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001086783032	942490415	/nfs/dbraw/zinc/49/04/15/942490415.db2.gz	FAXLEMNBJFQLDQ-RCCFBDPRSA-N	1	0	354.454	1.554	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1	ZINC001086788393	942523165	/nfs/dbraw/zinc/52/31/65/942523165.db2.gz	MFVALPNMKFJDJF-BLLLJJGKSA-N	1	0	369.400	1.469	20	30		FDEDRO
C#C[C@@H](NC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1)C1CCOCC1	ZINC000856109533	970915524	/nfs/dbraw/zinc/91/55/24/970915524.db2.gz	RGOUNQVLMWIQSY-HXUWFJFHSA-N	1	0	355.482	1.987	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCc3ccnn3C)C2)c1	ZINC001086798339	942634647	/nfs/dbraw/zinc/63/46/47/942634647.db2.gz	IQNDTUVDBINLNP-FUHWJXTLSA-N	1	0	351.454	1.527	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCCCC(=O)N3)C2)cc1	ZINC001086801084	942691784	/nfs/dbraw/zinc/69/17/84/942691784.db2.gz	OKJWXQVWFQIRDE-OTWHNJEPSA-N	1	0	368.481	1.992	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C(N)=O)c2)C1	ZINC001086806428	942804929	/nfs/dbraw/zinc/80/49/29/942804929.db2.gz	SUXDWBXGGOUVRL-AITUJVMLSA-N	1	0	371.481	1.751	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1	ZINC000817786681	942976333	/nfs/dbraw/zinc/97/63/33/942976333.db2.gz	ZASQHSWIRCHXIT-IIBYNOLFSA-N	1	0	355.482	1.911	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1	ZINC000818602887	943328345	/nfs/dbraw/zinc/32/83/45/943328345.db2.gz	IXJMAOIYTUMIND-SFHVURJKSA-N	1	0	373.472	1.678	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1cnn(-c2ccccn2)c1C(F)(F)F	ZINC000818602758	943328690	/nfs/dbraw/zinc/32/86/90/943328690.db2.gz	CAIHYXJZXIIALM-UHFFFAOYSA-N	1	0	365.359	1.971	20	30		FDEDRO
COC(=O)N1CCC[C@@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000819001273	943379541	/nfs/dbraw/zinc/37/95/41/943379541.db2.gz	AUSGMAXKWBLZGN-CQSZACIVSA-N	1	0	351.428	1.152	20	30		FDEDRO
O=C(NCC[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)C1N=CC=CC1=O	ZINC000819050884	943395122	/nfs/dbraw/zinc/39/51/22/943395122.db2.gz	XNQGCKCFRMTPLO-BSZDNMLHSA-N	1	0	353.781	1.629	20	30		FDEDRO
Cc1cccc(C)c1OC[C@@H](O)C[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000819053321	943396717	/nfs/dbraw/zinc/39/67/17/943396717.db2.gz	ILDOPKGZVFNONG-DXQAYGFFSA-N	1	0	359.426	1.159	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]CCc1ccc(Br)cc1F	ZINC000819039273	943411127	/nfs/dbraw/zinc/41/11/27/943411127.db2.gz	AVNOCMQIDZKSSJ-CQSZACIVSA-N	1	0	358.255	1.927	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cn(C)nc3C)C2)nn1	ZINC001086824592	943413309	/nfs/dbraw/zinc/41/33/09/943413309.db2.gz	PWWRFLFLBBSUQV-DOTOQJQBSA-N	1	0	371.489	1.584	20	30		FDEDRO
C#CCNC(=O)CC[NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1	ZINC000819068908	943428254	/nfs/dbraw/zinc/42/82/54/943428254.db2.gz	KNCGEARAIKGXFC-CYBMUJFWSA-N	1	0	355.360	1.893	20	30		FDEDRO
CCOC(=O)N1CC[C@@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000819238781	943476857	/nfs/dbraw/zinc/47/68/57/943476857.db2.gz	LYFNNFFDSWMKCH-CQSZACIVSA-N	1	0	351.428	1.152	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F	ZINC000819222120	943493413	/nfs/dbraw/zinc/49/34/13/943493413.db2.gz	NTZDAOVYAVBNIV-CYBMUJFWSA-N	1	0	351.390	1.799	20	30		FDEDRO
CCOC1CC(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)(N2CCOCC2)C1	ZINC000819267838	943519532	/nfs/dbraw/zinc/51/95/32/943519532.db2.gz	YLMXPPYXYHTFQN-GPJFCIFZSA-N	1	0	359.470	1.451	20	30		FDEDRO
CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+][C@H]1CCc2cc(C#N)ccc21	ZINC000819270845	943520830	/nfs/dbraw/zinc/52/08/30/943520830.db2.gz	JMXBVOSUXRIAME-INIZCTEOSA-N	1	0	364.467	1.892	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1	ZINC001086826822	943565464	/nfs/dbraw/zinc/56/54/64/943565464.db2.gz	LRFAMAKFJGYGMD-YLFCFFPRSA-N	1	0	366.893	1.915	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CC[NH+]2CCC1CC2	ZINC000819508020	943619842	/nfs/dbraw/zinc/61/98/42/943619842.db2.gz	HWGRZRVIZYGFCR-OAHLLOKOSA-N	1	0	350.463	1.880	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000819582690	943634786	/nfs/dbraw/zinc/63/47/86/943634786.db2.gz	ORZWKTKUYALYQJ-KRWDZBQOSA-N	1	0	355.482	1.983	20	30		FDEDRO
C#C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ccc(F)cc1	ZINC000820490867	944070482	/nfs/dbraw/zinc/07/04/82/944070482.db2.gz	RGHOGYNEBPYKGT-ROUUACIJSA-N	1	0	372.444	1.448	20	30		FDEDRO
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1	ZINC000821399282	944474184	/nfs/dbraw/zinc/47/41/84/944474184.db2.gz	CEDDNDPENLRQNZ-SFHVURJKSA-N	1	0	357.454	1.817	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)s1	ZINC000821528041	944540848	/nfs/dbraw/zinc/54/08/48/944540848.db2.gz	PMFRRHUOTMWVFE-CHWSQXEVSA-N	1	0	371.528	1.306	20	30		FDEDRO
CON=C(C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1csc(N)n1	ZINC000821812531	944709563	/nfs/dbraw/zinc/70/95/63/944709563.db2.gz	XZMKBORVUNRKDE-NEPJUHHUSA-N	1	0	365.503	1.845	20	30		FDEDRO
COC(=O)c1ccc(C(=[NH2+])Nc2cnc(=O)n(Cc3cccnc3)c2)cc1	ZINC001170989466	945041891	/nfs/dbraw/zinc/04/18/91/945041891.db2.gz	XHJKJIHKXQYITP-UHFFFAOYSA-N	1	0	363.377	1.510	20	30		FDEDRO
C#C[C@H](NC(=O)N1CC[N@H+](CCOC)[C@H](CCC)C1)C1CCOCC1	ZINC000823172594	945516012	/nfs/dbraw/zinc/51/60/12/945516012.db2.gz	IIDYIYJIIOCUMO-MSOLQXFVSA-N	1	0	351.491	1.557	20	30		FDEDRO
C#C[C@H](NC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C1CCOCC1	ZINC000823158248	945540005	/nfs/dbraw/zinc/54/00/05/945540005.db2.gz	FQWQUGGEYQUMGR-UXHICEINSA-N	1	0	371.481	1.481	20	30		FDEDRO
C[C@H]1CC2(C[N@@H+]1CC(=O)NCC#N)CCN(C(=O)OC(C)(C)C)CC2	ZINC000823642131	945882041	/nfs/dbraw/zinc/88/20/41/945882041.db2.gz	ANHTYNRFBKSVMZ-AWEZNQCLSA-N	1	0	350.463	1.738	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CSC(c2ccccc2O)=N1	ZINC000823735880	945943135	/nfs/dbraw/zinc/94/31/35/945943135.db2.gz	KLMHKAFQXSOHGN-OAHLLOKOSA-N	1	0	360.483	1.948	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](NC(=O)CCCC[NH+]3CCCC3)C2)n1	ZINC001090731284	946029514	/nfs/dbraw/zinc/02/95/14/946029514.db2.gz	TXTLQICSDOJEQK-CRAIPNDOSA-N	1	0	370.501	1.864	20	30		FDEDRO
COc1cc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)ncn1	ZINC000824115023	946240808	/nfs/dbraw/zinc/24/08/08/946240808.db2.gz	GJFAHWWRHSTNAT-UHFFFAOYSA-N	1	0	351.410	1.751	20	30		FDEDRO
COCCOCC[N@H+](C)CCC(=O)N1CCC[C@](C#N)(c2ccccn2)C1	ZINC000824396506	946395320	/nfs/dbraw/zinc/39/53/20/946395320.db2.gz	XSGULHXWFKQMSH-HXUWFJFHSA-N	1	0	374.485	1.450	20	30		FDEDRO
C=CC[NH+](CC=C)CCN1CCN(S(=O)(=O)c2ccc(O)cc2)CC1	ZINC001195791451	971233153	/nfs/dbraw/zinc/23/31/53/971233153.db2.gz	LQBROLUKKWLHIP-UHFFFAOYSA-N	1	0	365.499	1.373	20	30		FDEDRO
C=CCN1CCN(C)C2(CC[NH+](Cc3cnc4cc(C)ccn34)CC2)C1=O	ZINC001136887912	946526091	/nfs/dbraw/zinc/52/60/91/946526091.db2.gz	KJEGAWVKZRBPAF-UHFFFAOYSA-N	1	0	367.497	1.937	20	30		FDEDRO
C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N[C@@H]3CC[C@H](C#N)C3)cc2)CC1	ZINC000824630765	946607750	/nfs/dbraw/zinc/60/77/50/946607750.db2.gz	HFQAZUBOOJMPJN-DOTOQJQBSA-N	1	0	369.469	1.575	20	30		FDEDRO
C#CCN(C(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CC[NH+](CCC(C)C)CC1	ZINC001573281764	946679678	/nfs/dbraw/zinc/67/96/78/946679678.db2.gz	BMIIVUPULIYNJH-UHFFFAOYSA-N	1	0	369.473	1.781	20	30		FDEDRO
C#CCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1cccc(-c2nn[nH]n2)c1	ZINC001573282786	946698200	/nfs/dbraw/zinc/69/82/00/946698200.db2.gz	AYAGAEMRWISHHG-OAHLLOKOSA-N	1	0	354.458	1.997	20	30		FDEDRO
C#CCCCC(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CC1	ZINC001573283048	946708185	/nfs/dbraw/zinc/70/81/85/946708185.db2.gz	DOCKPSJILYUVSF-QGZVFWFLSA-N	1	0	370.432	1.794	20	30		FDEDRO
C#CCCCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H]1C	ZINC001573283355	946712074	/nfs/dbraw/zinc/71/20/74/946712074.db2.gz	RXKANVVDGURICM-ZBFHGGJFSA-N	1	0	367.457	1.847	20	30		FDEDRO
C#CCCCC(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573284562	946749600	/nfs/dbraw/zinc/74/96/00/946749600.db2.gz	GIUZEHUDVUZYCI-INIZCTEOSA-N	1	0	366.469	1.998	20	30		FDEDRO
C#CCCN(CCOC)C(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1	ZINC000824747695	946753646	/nfs/dbraw/zinc/75/36/46/946753646.db2.gz	GTHCAMZAICTJDL-UHFFFAOYSA-N	1	0	358.442	1.415	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1	ZINC000856635724	971277186	/nfs/dbraw/zinc/27/71/86/971277186.db2.gz	UPTOFHUDNRTDRI-UXHICEINSA-N	1	0	370.497	1.611	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1	ZINC000856645601	971281550	/nfs/dbraw/zinc/28/15/50/971281550.db2.gz	BDGHYNYKVMULQC-LPHOPBHVSA-N	1	0	359.470	1.940	20	30		FDEDRO
C=C(C)CCC(=O)NCCC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1	ZINC001573294075	946977112	/nfs/dbraw/zinc/97/71/12/946977112.db2.gz	SUAXDKAYMMCCMK-UHFFFAOYSA-N	1	0	355.446	1.738	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573294096	946978151	/nfs/dbraw/zinc/97/81/51/946978151.db2.gz	UJZGSWWHZCZTHJ-BBRMVZONSA-N	1	0	357.462	1.991	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)C1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1	ZINC001573562718	946978443	/nfs/dbraw/zinc/97/84/43/946978443.db2.gz	WPJWIKTVUKDNNB-LBPRGKRZSA-N	1	0	371.420	1.588	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC(C[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC001573564815	946997268	/nfs/dbraw/zinc/99/72/68/946997268.db2.gz	LHTRORAVXUJSIF-AWEZNQCLSA-N	1	0	367.457	1.697	20	30		FDEDRO
C=C(Cl)C[N@H+](C)CC1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1	ZINC001573294961	947003157	/nfs/dbraw/zinc/00/31/57/947003157.db2.gz	KCZQRGTWFAEGFC-UHFFFAOYSA-N	1	0	363.853	1.731	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC1	ZINC001573565325	947003957	/nfs/dbraw/zinc/00/39/57/947003957.db2.gz	QCWXXIKBVIWTJL-GFCCVEGCSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC1	ZINC001573565328	947004581	/nfs/dbraw/zinc/00/45/81/947004581.db2.gz	QCWXXIKBVIWTJL-LBPRGKRZSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573565720	947012079	/nfs/dbraw/zinc/01/20/79/947012079.db2.gz	UXTYKIFOGCJOLI-KBPBESRZSA-N	1	0	353.430	1.307	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1	ZINC001573565715	947013049	/nfs/dbraw/zinc/01/30/49/947013049.db2.gz	UXQWQFBBFKEWOJ-NSHDSACASA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573566546	947027920	/nfs/dbraw/zinc/02/79/20/947027920.db2.gz	DHDQQHHMSGWIQD-CZUORRHYSA-N	1	0	353.430	1.449	20	30		FDEDRO
C=C1CCC(C(=O)NC[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC1	ZINC001573296319	947042395	/nfs/dbraw/zinc/04/23/95/947042395.db2.gz	MYMXHVQOVASULV-CQSZACIVSA-N	1	0	367.457	1.951	20	30		FDEDRO
C=C1CC(C)(C(=O)NCCC[NH2+]Cc2cc(-c3nn[nH]n3)ccc2OC)C1	ZINC001573296623	947051480	/nfs/dbraw/zinc/05/14/80/947051480.db2.gz	UKNCYTMRODAVLM-UHFFFAOYSA-N	1	0	370.457	1.828	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1	ZINC001573567746	947054136	/nfs/dbraw/zinc/05/41/36/947054136.db2.gz	RYAPZPXHNBZMQW-NEPJUHHUSA-N	1	0	359.459	1.511	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573567969	947062772	/nfs/dbraw/zinc/06/27/72/947062772.db2.gz	VPFCTIIVQLOJDT-YPMHNXCESA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@](C)(C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1	ZINC001573570484	947088438	/nfs/dbraw/zinc/08/84/38/947088438.db2.gz	PZMZBEINXKCZRO-SGTLLEGYSA-N	1	0	353.430	1.401	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573299299	947091773	/nfs/dbraw/zinc/09/17/73/947091773.db2.gz	SFIPRZBXOCFZAQ-HZMBPMFUSA-N	1	0	363.853	1.778	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(C)(C)C	ZINC001573573011	947117675	/nfs/dbraw/zinc/11/76/75/947117675.db2.gz	KYUCXMSLMSPABN-WFASDCNBSA-N	1	0	355.446	1.647	20	30		FDEDRO
C[C@H](C#N)C(=O)NC1CC2(C1)CC([NH2+]Cc1ccc(-c3nn[nH]n3)s1)C2	ZINC001573575100	947134981	/nfs/dbraw/zinc/13/49/81/947134981.db2.gz	VYMLTHQWGJJRRU-DPJYBIRISA-N	1	0	371.470	1.605	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC1(C)CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1	ZINC001573575544	947138653	/nfs/dbraw/zinc/13/86/53/947138653.db2.gz	YWHDWBHWTJHFIS-NSHDSACASA-N	1	0	359.459	1.559	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CCCCC1	ZINC001573575691	947141663	/nfs/dbraw/zinc/14/16/63/947141663.db2.gz	ZIDFDXBMGSLZLX-MLGOLLRUSA-N	1	0	368.445	1.320	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1	ZINC001573305600	947156961	/nfs/dbraw/zinc/15/69/61/947156961.db2.gz	SBSFLWVYOBBQEO-UKRRQHHQSA-N	1	0	369.473	1.935	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@]1(C)CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573578051	947180890	/nfs/dbraw/zinc/18/08/90/947180890.db2.gz	XQEXLEGHPUOZPA-LIRRHRJNSA-N	1	0	367.457	1.745	20	30		FDEDRO
CC(C)[C@@H](CCNC(=O)[C@@H](C)C#N)[NH2+]Cc1cccc(-c2nn[nH]n2)c1	ZINC001573583674	947204776	/nfs/dbraw/zinc/20/47/76/947204776.db2.gz	NUVIXIQBWSHZTJ-XJKSGUPXSA-N	1	0	355.446	1.647	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1c(Br)nc2n1CCC2	ZINC000825411810	947232457	/nfs/dbraw/zinc/23/24/57/947232457.db2.gz	YRVWWQGAFJDHEA-UHFFFAOYSA-N	1	0	368.279	1.899	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573584978	947241741	/nfs/dbraw/zinc/24/17/41/947241741.db2.gz	BIAQHYTWPFVYOQ-DRZSPHRISA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccc(-c3nn[nH]n3)s1)C2	ZINC001573586789	947294591	/nfs/dbraw/zinc/29/45/91/947294591.db2.gz	TUNVQTANMBCAHQ-PRXAMGSTSA-N	1	0	371.470	1.559	20	30		FDEDRO
C=CCC1(C(=O)NCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCOCC1	ZINC001573326818	947381325	/nfs/dbraw/zinc/38/13/25/947381325.db2.gz	WNFQJIYONJRENO-UHFFFAOYSA-N	1	0	370.457	1.445	20	30		FDEDRO
C=CCCC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21	ZINC001573327653	947394456	/nfs/dbraw/zinc/39/44/56/947394456.db2.gz	ITRWIGDIOKOORW-PHZGNYQRSA-N	1	0	370.432	1.766	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N(CCC)[C@@H]2CC[N@H+](C)C2)cc1	ZINC000843986902	947532091	/nfs/dbraw/zinc/53/20/91/947532091.db2.gz	BBDKMEITDHEFBO-MRXNPFEDSA-N	1	0	363.483	1.154	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2C)C[C@H]1c1ccc(OC)cc1	ZINC001090877699	947542693	/nfs/dbraw/zinc/54/26/93/947542693.db2.gz	ZSJBUQFKQGHAJQ-NZSAHSFTSA-N	1	0	369.465	1.223	20	30		FDEDRO
C#C[C@H](NC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1)c1ccccc1	ZINC000843967358	947548286	/nfs/dbraw/zinc/54/82/86/947548286.db2.gz	LSSVGIYHIIOVNY-QRVBRYPASA-N	1	0	353.466	1.810	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)[C@H](C)C1	ZINC001573343794	947564677	/nfs/dbraw/zinc/56/46/77/947564677.db2.gz	SSMYABUBYKSXFG-GDBMZVCRSA-N	1	0	370.457	1.253	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]cn2)C[C@H]1c1ccc(OC)cc1	ZINC001090882718	947620328	/nfs/dbraw/zinc/62/03/28/947620328.db2.gz	RKBMNTABLUTYKI-UIAACRFSSA-N	1	0	366.465	1.814	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnc(OC)nc2)C[C@H]1c1ccc(OC)cc1	ZINC001090884872	947651275	/nfs/dbraw/zinc/65/12/75/947651275.db2.gz	NKAFQWCEQSXNRG-ZWKOTPCHSA-N	1	0	368.437	1.878	20	30		FDEDRO
CC#CC[NH2+]C[C@@]1(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCCC[C@@H]1C	ZINC001573357960	947653953	/nfs/dbraw/zinc/65/39/53/947653953.db2.gz	DJMGWNTWAXQRHM-UGSOOPFHSA-N	1	0	355.446	1.486	20	30		FDEDRO
CC#CCCCC(=O)N(C)CCC[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001573359234	947681413	/nfs/dbraw/zinc/68/14/13/947681413.db2.gz	RAYKWSDZVPWNOU-UHFFFAOYSA-N	1	0	354.458	1.998	20	30		FDEDRO
CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1	ZINC001573359315	947683757	/nfs/dbraw/zinc/68/37/57/947683757.db2.gz	YVBPQNQZSGGYAH-QGZVFWFLSA-N	1	0	367.457	1.535	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]21	ZINC001573359372	947686273	/nfs/dbraw/zinc/68/62/73/947686273.db2.gz	ZXFBISOJNDCBIX-BPLDGKMQSA-N	1	0	353.430	1.048	20	30		FDEDRO
CO[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+]1CCCC1	ZINC001090892357	947746914	/nfs/dbraw/zinc/74/69/14/947746914.db2.gz	JLHNVOVKLAWLJN-KZNAEPCWSA-N	1	0	371.485	1.393	20	30		FDEDRO
C#CCNC(=O)CC[NH+]1CCC(N(CCOC)C(=O)OC(C)(C)C)CC1	ZINC000844357370	948009483	/nfs/dbraw/zinc/00/94/83/948009483.db2.gz	WSHNTZYPRURXIZ-UHFFFAOYSA-N	1	0	367.490	1.474	20	30		FDEDRO
N#Cc1cncc(C[N@H+]2C[C@H](C(=O)N3CC=CC3)C3(C2)CCOCC3)c1	ZINC001144075432	948189085	/nfs/dbraw/zinc/18/90/85/948189085.db2.gz	PRTMRDWUCOOXNQ-GOSISDBHSA-N	1	0	352.438	1.580	20	30		FDEDRO
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(Cc1cncc(C#N)c1)CCC2	ZINC001144080461	948201456	/nfs/dbraw/zinc/20/14/56/948201456.db2.gz	MTHPZAFRQPRKTR-UHFFFAOYSA-N	1	0	366.469	1.756	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCCCO4)[C@@H]3C2)nc1	ZINC001144160547	948305907	/nfs/dbraw/zinc/30/59/07/948305907.db2.gz	KTTIKMYMRQCSMB-LMMKCTJWSA-N	1	0	370.453	1.592	20	30		FDEDRO
N#Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCN2CCCC2=O)C3)s1	ZINC001110111550	948451957	/nfs/dbraw/zinc/45/19/57/948451957.db2.gz	LPXGQLUNHOHYOA-COXVUDFISA-N	1	0	372.494	1.854	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)CN3CCSC3=O)CC2)c1	ZINC000845007210	948586314	/nfs/dbraw/zinc/58/63/14/948586314.db2.gz	SLJZZCKPUVSFAI-UHFFFAOYSA-N	1	0	358.467	1.808	20	30		FDEDRO
CC(C)(C)C#CC(=O)N[C@H]1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1	ZINC001573792788	949270787	/nfs/dbraw/zinc/27/07/87/949270787.db2.gz	DRFAJIZPNPSBQE-HIFRSBDPSA-N	1	0	367.457	1.430	20	30		FDEDRO
C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccn(CCC#N)n1	ZINC000845557277	949506465	/nfs/dbraw/zinc/50/64/65/949506465.db2.gz	YPBXYMCOTZIVQP-ZDUSSCGKSA-N	1	0	364.450	1.580	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@@H]1O	ZINC001091126388	949542834	/nfs/dbraw/zinc/54/28/34/949542834.db2.gz	PURZEZKJUMMZQU-NEPJUHHUSA-N	1	0	371.894	1.066	20	30		FDEDRO
COCC[N@H+](CC(C)C)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O	ZINC000102389832	971589660	/nfs/dbraw/zinc/58/96/60/971589660.db2.gz	NAPJUFFFNGBNRW-UHFFFAOYSA-N	1	0	358.442	1.884	20	30		FDEDRO
C=C[C@@H](C)ONC(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1	ZINC000845620693	949700837	/nfs/dbraw/zinc/70/08/37/949700837.db2.gz	VTVYTIWSOZMJMY-CQSZACIVSA-N	1	0	360.458	1.689	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(F)c3ccccc23)C1	ZINC001196321452	971619469	/nfs/dbraw/zinc/61/94/69/971619469.db2.gz	ZUTCIQUCFZPEKG-RTBURBONSA-N	1	0	358.413	1.956	20	30		FDEDRO
C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[N@H+](C)Cc1ccc(C#N)cc1	ZINC001574976541	950083173	/nfs/dbraw/zinc/08/31/73/950083173.db2.gz	VFIYVQHIAMUTQU-LBPRGKRZSA-N	1	0	364.413	1.317	20	30		FDEDRO
C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1	ZINC001574982948	950191005	/nfs/dbraw/zinc/19/10/05/950191005.db2.gz	IEHBXJGNYIGOEG-LBPRGKRZSA-N	1	0	364.413	1.317	20	30		FDEDRO
C=CCN1CCN(C)C2(CC[NH+](Cc3ccc4c(c3)nnn4C)CC2)C1=O	ZINC001144634847	950218676	/nfs/dbraw/zinc/21/86/76/950218676.db2.gz	FYGDEWDMAPIWLQ-UHFFFAOYSA-N	1	0	368.485	1.263	20	30		FDEDRO
C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC001171202346	950229020	/nfs/dbraw/zinc/22/90/20/950229020.db2.gz	BSVYGCWBTYKYAX-KXBFYZLASA-N	1	0	364.449	1.292	20	30		FDEDRO
CN(C[C@H](O)c1cccc(C#N)c1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1	ZINC000845964480	950302804	/nfs/dbraw/zinc/30/28/04/950302804.db2.gz	SKMLTODWSBZAHY-IBGZPJMESA-N	1	0	373.478	1.974	20	30		FDEDRO
CCC[NH+]1CCN(c2ccccc2C=NN2C(=O)[C@H](C)N(C)C2=O)CC1	ZINC000857216853	971652830	/nfs/dbraw/zinc/65/28/30/971652830.db2.gz	FEWVODAEBPVKTK-HNNXBMFYSA-N	1	0	357.458	1.835	20	30		FDEDRO
C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H](Cc1ccccc1)C(=O)NCC(N)=O	ZINC001171204402	950324346	/nfs/dbraw/zinc/32/43/46/950324346.db2.gz	XDRNIMUUTMIBID-KXBFYZLASA-N	1	0	364.449	1.292	20	30		FDEDRO
C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F	ZINC001574997929	950559953	/nfs/dbraw/zinc/55/99/53/950559953.db2.gz	ZHJZCQOMWAMTSE-JTQLQIEISA-N	1	0	368.376	1.114	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)NCc2cccc(O[C@H](C#N)CC)c2)C[C@H]1C[NH3+]	ZINC000846148424	950561919	/nfs/dbraw/zinc/56/19/19/950561919.db2.gz	ZHGCOHNIQPLCPC-SOLBZPMBSA-N	1	0	360.458	1.873	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)NCCC[N@@H+](C)CC(C)C)cc1	ZINC000846290821	950828179	/nfs/dbraw/zinc/82/81/79/950828179.db2.gz	GYNDVKNZAFWCSR-UHFFFAOYSA-N	1	0	365.499	1.306	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N2CC[C@H]3CCN(c4nccnc4C#N)[C@H]3C2)CC1	ZINC001091226921	951103755	/nfs/dbraw/zinc/10/37/55/951103755.db2.gz	YTVOIJGLZCAGTO-HOCLYGCPSA-N	1	0	354.458	1.117	20	30		FDEDRO
C=C(Cl)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1	ZINC001571012017	951247780	/nfs/dbraw/zinc/24/77/80/951247780.db2.gz	DWQCCGZIZHVLQY-NEPJUHHUSA-N	1	0	363.853	1.778	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)c2)C1	ZINC001091400494	951572362	/nfs/dbraw/zinc/57/23/62/951572362.db2.gz	KFOOQKKYHCFFQA-KZNAEPCWSA-N	1	0	365.437	1.311	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCc2cc(O[C@@H]3CCN(CC#N)C3)ccn2)CC[N@@H+]1C	ZINC001091401120	951574115	/nfs/dbraw/zinc/57/41/15/951574115.db2.gz	TWWLXXCFGBTURW-CEXWTWQISA-N	1	0	371.485	1.405	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)c2)C1	ZINC001091405424	951599188	/nfs/dbraw/zinc/59/91/88/951599188.db2.gz	XTFVEIOBVVCWKN-AFYVEPGGSA-N	1	0	369.465	1.742	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCCCc2cc(OC)c(O)c(OC)c2)CC1	ZINC000857422907	971760854	/nfs/dbraw/zinc/76/08/54/971760854.db2.gz	GZLBPFQMYYNQBW-UHFFFAOYSA-N	1	0	360.454	1.803	20	30		FDEDRO
C#C[C@H]1CCC[N@@H+](CC(=O)NCc2ccccc2CN2CCCC2=O)C1	ZINC000847022994	951776887	/nfs/dbraw/zinc/77/68/87/951776887.db2.gz	KJTITWFLEHHRGT-KRWDZBQOSA-N	1	0	353.466	1.770	20	30		FDEDRO
C[C@H](CNC(=O)c1cc(C#N)c[nH]1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1	ZINC001575108347	951924290	/nfs/dbraw/zinc/92/42/90/951924290.db2.gz	LOKUFGLYODMPNN-LBPRGKRZSA-N	1	0	364.413	1.222	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4CCOC4)C[C@]3(C)C2)cc1C#N	ZINC001091528243	951945236	/nfs/dbraw/zinc/94/52/36/951945236.db2.gz	BYFYWHZWJXOFKA-BLIXFSHQSA-N	1	0	369.465	1.884	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001091539563	951971165	/nfs/dbraw/zinc/97/11/65/951971165.db2.gz	KLPNADRJQUIKCV-HLIPFELVSA-N	1	0	352.438	1.117	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2C[N@H+](Cc3cc(-c4cnn(C)c4)no3)C[C@@]2(C)C1	ZINC001091543057	951978568	/nfs/dbraw/zinc/97/85/68/951978568.db2.gz	AQYRHNNDTQZYSV-OHNRDTAOSA-N	1	0	368.441	1.515	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cnn(CC)c4)C[C@]3(C)C2)C1=O	ZINC001091549670	952011643	/nfs/dbraw/zinc/01/16/43/952011643.db2.gz	HVLCUKZJJCVRAC-HLIPFELVSA-N	1	0	371.485	1.084	20	30		FDEDRO
Cc1nnsc1C[N@@H+]1C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@]2(C)C1	ZINC001091574688	952112197	/nfs/dbraw/zinc/11/21/97/952112197.db2.gz	NRLGTBOQORXLHE-DYVFJYSZSA-N	1	0	356.455	1.640	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ncccc4C)C[C@]3(C)C2)C1=O	ZINC001091580360	952131835	/nfs/dbraw/zinc/13/18/35/952131835.db2.gz	QIMAVAMFOMVKGZ-WWMYMODYSA-N	1	0	368.481	1.571	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001571084278	952188682	/nfs/dbraw/zinc/18/86/82/952188682.db2.gz	GGWATEFTSOAHJP-WFASDCNBSA-N	1	0	371.420	1.636	20	30		FDEDRO
Cc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@]3(C)C2)ncn1	ZINC001091605561	952234767	/nfs/dbraw/zinc/23/47/67/952234767.db2.gz	YSBGOXUXMKCYBW-KUHUBIRLSA-N	1	0	350.426	1.579	20	30		FDEDRO
Cc1cc(N[C@@H]2CC[C@H](CNC(=O)[C@H](C3CC3)[NH+](C)C)C2)c(C#N)cn1	ZINC001091611035	952265520	/nfs/dbraw/zinc/26/55/20/952265520.db2.gz	GKLKRGPOBJUNSO-YJLNNSPDSA-N	1	0	355.486	1.721	20	30		FDEDRO
CN1CCOC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@@]2(C)C1	ZINC001091611991	952292675	/nfs/dbraw/zinc/29/26/75/952292675.db2.gz	KRKXCVZTXCPBPV-DYXWJJEUSA-N	1	0	368.481	1.169	20	30		FDEDRO
Cc1cc(N[C@@H]2CC[C@H](CNC(=O)C[N@H+]3CCC[C@@H]3C)C2)c(C#N)cn1	ZINC001091632058	952399651	/nfs/dbraw/zinc/39/96/51/952399651.db2.gz	DKHKLIHMZLZGDR-XYJFISCASA-N	1	0	355.486	1.865	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cc[nH]c4CC)C[C@]3(C)C2)C1=O	ZINC001091644809	952470161	/nfs/dbraw/zinc/47/01/61/952470161.db2.gz	DWHSDCRQKBIMHO-YWMUFLPLSA-N	1	0	370.497	1.758	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1CNc1ncccc1C#N	ZINC001091668599	952559003	/nfs/dbraw/zinc/55/90/03/952559003.db2.gz	SJFXLLKTIDWQDW-IAGOWNOFSA-N	1	0	359.474	1.570	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)Cc3nnn(C(C)(C)C)n3)C[C@]2(C)C1	ZINC001091698235	952654996	/nfs/dbraw/zinc/65/49/96/952654996.db2.gz	GVJRBUXTSUPGEE-BEFAXECRSA-N	1	0	360.506	1.717	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+]([C@H](C)C(=O)NC(C)(C)C)C2	ZINC001148311008	952680163	/nfs/dbraw/zinc/68/01/63/952680163.db2.gz	TYCWVZQPTCUVSY-OAGGEKHMSA-N	1	0	363.502	1.415	20	30		FDEDRO
COCC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3ccccc3OC)C2)C1	ZINC001148418471	952724960	/nfs/dbraw/zinc/72/49/60/952724960.db2.gz	MEVOHOWRELJXRD-RBUKOAKNSA-N	1	0	368.477	1.983	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cn(C)nc3C)C[C@@]2(C)C1	ZINC001091748260	952793634	/nfs/dbraw/zinc/79/36/34/952793634.db2.gz	HWJSQJBSFKQWKR-DYXWJJEUSA-N	1	0	369.513	1.106	20	30		FDEDRO
C=CCOc1cccnc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nncn2C)C1	ZINC001086849551	952855311	/nfs/dbraw/zinc/85/53/11/952855311.db2.gz	OTFIXYIOZZTHCV-LSDHHAIUSA-N	1	0	370.457	1.463	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H]3CCCN(C)C3=O)C2)cn1	ZINC001086857608	952875964	/nfs/dbraw/zinc/87/59/64/952875964.db2.gz	MCXGKIODSCRRKW-QGTPRVQTSA-N	1	0	354.454	1.172	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCCC3=O)C2)nc1	ZINC001086857144	952903773	/nfs/dbraw/zinc/90/37/73/952903773.db2.gz	MWNJRUGMEHIWCA-DLBZAZTESA-N	1	0	354.454	1.173	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(CC)on3)C2)C1=O	ZINC001086856865	952903897	/nfs/dbraw/zinc/90/38/97/952903897.db2.gz	XWEPUUYUPWHXTL-SQWLQELKSA-N	1	0	360.458	1.512	20	30		FDEDRO
CCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1	ZINC001086960550	952957538	/nfs/dbraw/zinc/95/75/38/952957538.db2.gz	XZYMUXXLKLTVDB-FUHWJXTLSA-N	1	0	355.417	1.925	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)C3CC3)C[C@H]2[NH2+]Cc2cc(C#N)ccc2F)cn1	ZINC001086962163	952960567	/nfs/dbraw/zinc/96/05/67/952960567.db2.gz	PNYUAGXYCYKRHY-PKOBYXMFSA-N	1	0	367.428	1.925	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCc2ccccc2F)C1	ZINC001086971211	952973770	/nfs/dbraw/zinc/97/37/70/952973770.db2.gz	BZGWFTXCRCGXJO-DKSSEZFCSA-N	1	0	369.444	1.846	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2cn3c(n2)CCCC3)C[C@H]1c1cnn(C)c1	ZINC001086979622	952993627	/nfs/dbraw/zinc/99/36/27/952993627.db2.gz	JPWDVNXPPROXQX-ZWKOTPCHSA-N	1	0	368.485	1.266	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2cnccc2OC)C[C@H]1c1cnn(C)c1	ZINC001086984005	952998330	/nfs/dbraw/zinc/99/83/30/952998330.db2.gz	UFUVPPRIENSZLP-DLBZAZTESA-N	1	0	355.442	1.136	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(OC)nc(OC)c2)C[C@H]1c1cnn(C)c1	ZINC001086985743	953003703	/nfs/dbraw/zinc/00/37/03/953003703.db2.gz	ATSBFEMKRSUBCY-JKSUJKDBSA-N	1	0	371.441	1.216	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cccn3nccc23)C[C@H]1c1cnn(C)c1	ZINC001086985875	953003887	/nfs/dbraw/zinc/00/38/87/953003887.db2.gz	JDUMXZLPTKZMPE-ZWKOTPCHSA-N	1	0	364.453	1.842	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C[C@H]1c1cnn(C)c1	ZINC001086987375	953009706	/nfs/dbraw/zinc/00/97/06/953009706.db2.gz	OXGFLIJHHDLODC-ZGXWSNOMSA-N	1	0	372.513	1.943	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2nc(C)n3ccccc23)C[C@H]1c1cnn(C)c1	ZINC001086987522	953010106	/nfs/dbraw/zinc/01/01/06/953010106.db2.gz	WZINCKJAHXVYRV-DLBZAZTESA-N	1	0	364.453	1.760	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3cc(F)ccc32)C[C@H]1c1cnn(C)c1	ZINC001086988016	953011448	/nfs/dbraw/zinc/01/14/48/953011448.db2.gz	ZHWRXHNINVOMDF-SLFFLAALSA-N	1	0	366.440	1.806	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ocnc2C(F)(F)F)C[C@H]1c1cnn(C)c1	ZINC001086989219	953013864	/nfs/dbraw/zinc/01/38/64/953013864.db2.gz	PAHQGSRUARSIKK-NWDGAFQWSA-N	1	0	369.347	1.811	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CCOC2)C[C@H]1c1cnn(C)c1	ZINC001086989450	953014458	/nfs/dbraw/zinc/01/44/58/953014458.db2.gz	BCKZXYMWSMDHHU-XOKHGSTOSA-N	1	0	370.457	1.031	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cn(C(C)C)cn2)C[C@H]1c1cnn(C)c1	ZINC001086989647	953014984	/nfs/dbraw/zinc/01/49/84/953014984.db2.gz	MINZPICUWYSCCX-DLBZAZTESA-N	1	0	356.474	1.971	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCCC2(F)F)C[C@H]1c1cnn(C)c1	ZINC001086993140	953025912	/nfs/dbraw/zinc/02/59/12/953025912.db2.gz	IQGWQBUOUPSQHC-HRCADAONSA-N	1	0	350.413	1.763	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2ncccc2OC)C[C@H]1c1cnn(C)c1	ZINC001086993590	953026988	/nfs/dbraw/zinc/02/69/88/953026988.db2.gz	HRVVXEMJBRAKDJ-FUHWJXTLSA-N	1	0	369.469	1.527	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]C[C@H](C)O)C1	ZINC001086981151	953031974	/nfs/dbraw/zinc/03/19/74/953031974.db2.gz	RLGKJWXZQGDQBD-TUKIKUTGSA-N	1	0	354.882	1.464	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccnn2C(CC)CC)C[C@H]1c1cnn(C)c1	ZINC001086981985	953034469	/nfs/dbraw/zinc/03/44/69/953034469.db2.gz	OBXSTOWWQLRCPZ-ZWKOTPCHSA-N	1	0	368.485	1.809	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1c1cnn(C)c1	ZINC001086996756	953038230	/nfs/dbraw/zinc/03/82/30/953038230.db2.gz	TUPHVLMSJJWZCA-HYVNUMGLSA-N	1	0	365.909	1.541	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2ccnc(OC)c2)C[C@H]1c1cnn(C)c1	ZINC001086996949	953039507	/nfs/dbraw/zinc/03/95/07/953039507.db2.gz	CJUFSWUMRLQUOJ-DLBZAZTESA-N	1	0	355.442	1.136	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3ccccc3C2)C[C@H]1c1cnn(C)c1	ZINC001086999093	953045280	/nfs/dbraw/zinc/04/52/80/953045280.db2.gz	SAYIRGKXGSQIKD-HLAWJBBLSA-N	1	0	362.477	1.742	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cccc(F)c2F)C[C@H]1c1cnn(C)c1	ZINC001086999503	953046893	/nfs/dbraw/zinc/04/68/93/953046893.db2.gz	JHJLNYFKMNRFHX-DOTOQJQBSA-N	1	0	358.392	1.458	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn(CCC)c2C)C[C@H]1c1cnn(C)c1	ZINC001087003756	953060387	/nfs/dbraw/zinc/06/03/87/953060387.db2.gz	NVGIBDOTSXOCPJ-ZWKOTPCHSA-N	1	0	354.458	1.166	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccc3nsnc32)C[C@H]1c1cnn(C)c1	ZINC001087004346	953062351	/nfs/dbraw/zinc/06/23/51/953062351.db2.gz	TYKHMILVWCSDDE-GOEBONIOSA-N	1	0	368.466	1.809	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c3ccccc3nn2C)C[C@H]1c1cnn(C)c1	ZINC001087004613	953062738	/nfs/dbraw/zinc/06/27/38/953062738.db2.gz	IOGIHRMTFKOONB-FUHWJXTLSA-N	1	0	362.437	1.138	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3nccn3c2)C[C@H]1c1cnn(C)c1	ZINC001087005358	953064213	/nfs/dbraw/zinc/06/42/13/953064213.db2.gz	YYOGGUNBZBBHPJ-DLBZAZTESA-N	1	0	350.426	1.452	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccnc(OC(C)C)c2)C[C@H]1c1cnn(C)c1	ZINC001087005514	953064662	/nfs/dbraw/zinc/06/46/62/953064662.db2.gz	HGWYGCXAODSTOV-ZWKOTPCHSA-N	1	0	367.453	1.433	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COc2cccc(C)c2)C[C@H]1c1cnn(C)c1	ZINC001087009263	953097827	/nfs/dbraw/zinc/09/78/27/953097827.db2.gz	YGZQYMMOHNGBMJ-RBUKOAKNSA-N	1	0	352.438	1.325	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2-c2ccco2)C[C@H]1c1cnn(C)c1	ZINC001087010004	953099673	/nfs/dbraw/zinc/09/96/73/953099673.db2.gz	HOQRGLGUZGVCMH-JKSUJKDBSA-N	1	0	364.409	1.234	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(N(C)C)ccn2)C[C@H]1c1cnn(C)c1	ZINC001087011809	953105073	/nfs/dbraw/zinc/10/50/73/953105073.db2.gz	QYESECYLVVILTO-FUHWJXTLSA-N	1	0	354.458	1.265	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087025738	953109978	/nfs/dbraw/zinc/10/99/78/953109978.db2.gz	NYCZWHMYOPMBHA-RTBURBONSA-N	1	0	367.453	1.408	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H]2CCCO2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001087023099	953138332	/nfs/dbraw/zinc/13/83/32/953138332.db2.gz	SSDPFKBDVMQVOI-XOKHGSTOSA-N	1	0	363.483	1.752	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1nccs1	ZINC001087045759	953152693	/nfs/dbraw/zinc/15/26/93/953152693.db2.gz	SZRIYKFJUBWLPG-UKRRQHHQSA-N	1	0	359.455	1.610	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1cnoc1C	ZINC001087039973	953156134	/nfs/dbraw/zinc/15/61/34/953156134.db2.gz	LYIVCBYZVHWTEJ-NVXWUHKLSA-N	1	0	357.414	1.450	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1oc(C)nc1C	ZINC001087040009	953156296	/nfs/dbraw/zinc/15/62/96/953156296.db2.gz	NRMWRXMRQUWBFK-CRAIPNDOSA-N	1	0	371.441	1.758	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H]2CCNC2=O)[C@H](OCC)C1	ZINC001087057593	953192310	/nfs/dbraw/zinc/19/23/10/953192310.db2.gz	LFSQNUQJPODZKV-HZSPNIEDSA-N	1	0	357.882	1.107	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1nc(C)c(C)o1	ZINC001087046135	953193396	/nfs/dbraw/zinc/19/33/96/953193396.db2.gz	MQKZPGIVXDPUEG-RHSMWYFYSA-N	1	0	371.441	1.758	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+][C@H](C)c1cnccn1	ZINC001087046235	953193734	/nfs/dbraw/zinc/19/37/34/953193734.db2.gz	SXSKYGSHGSGEHC-HBUWYVDXSA-N	1	0	368.441	1.504	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1coc(C)n1	ZINC001087046906	953194967	/nfs/dbraw/zinc/19/49/67/953194967.db2.gz	HMWKNRKJTKOVQR-RHSMWYFYSA-N	1	0	357.414	1.450	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@H]2CCc3ncnn32)[C@H](OCC)C1	ZINC001087072197	953226792	/nfs/dbraw/zinc/22/67/92/953226792.db2.gz	WNHHMVANKZATTR-BZUAXINKSA-N	1	0	361.490	1.431	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087081614	953239964	/nfs/dbraw/zinc/23/99/64/953239964.db2.gz	WSHFLZCXEJUIFU-NVXWUHKLSA-N	1	0	371.416	1.687	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+][C@H]3CCN(CC)C3=O)[C@H](OCC)C2)C1	ZINC001087082695	953241433	/nfs/dbraw/zinc/24/14/33/953241433.db2.gz	WMJWOOQZABIFFS-IXDOHACOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccon2)[C@H](OCC)C1	ZINC001087090914	953254752	/nfs/dbraw/zinc/25/47/52/953254752.db2.gz	KCHDRPZJEKUZBY-SPUZQDLCSA-N	1	0	363.458	1.609	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@]2(C)CCOC2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087093916	953260026	/nfs/dbraw/zinc/26/00/26/953260026.db2.gz	JMQPGKZSMXHWQE-SBHAEUEKSA-N	1	0	371.481	1.938	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@]2(C)CCOC2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087093785	953260044	/nfs/dbraw/zinc/26/00/44/953260044.db2.gz	BSEKWNTVQJVRDP-SFHLNBCPSA-N	1	0	371.481	1.938	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CC)[C@H](OCC)C1	ZINC001087079704	953264505	/nfs/dbraw/zinc/26/45/05/953264505.db2.gz	CIPLDOPYRDKCLM-MDZRGWNJSA-N	1	0	363.506	1.853	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ccon3)[C@H](OCC)C2)nc1	ZINC001087097293	953284503	/nfs/dbraw/zinc/28/45/03/953284503.db2.gz	HMELNFFSBCCGTI-CRAIPNDOSA-N	1	0	354.410	1.318	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C3CC4(C3)CS(=O)(=O)C4)C[C@]2(C)C1	ZINC001091783807	953362747	/nfs/dbraw/zinc/36/27/47/953362747.db2.gz	FACZTULSQPGVNN-AEFFLSMTSA-N	1	0	366.527	1.558	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2OC)C1	ZINC001196781213	971929324	/nfs/dbraw/zinc/92/93/24/971929324.db2.gz	KECACTJDPORJBB-BSDSXHPESA-N	1	0	360.454	1.163	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H]3CN(C(=O)CCC[NH+]4CCCC4)C[C@@H]3C2)nn1	ZINC001091853485	953506100	/nfs/dbraw/zinc/50/61/00/953506100.db2.gz	CCZSETRQKZCVKP-SJORKVTESA-N	1	0	368.485	1.509	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3cncc(-n4ccnn4)c3)C[C@]2(C)C1	ZINC001091878996	953650539	/nfs/dbraw/zinc/65/05/39/953650539.db2.gz	BJSNDSJMJKRDQA-APWZRJJASA-N	1	0	352.442	1.632	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1F)C2	ZINC001091937396	953786382	/nfs/dbraw/zinc/78/63/82/953786382.db2.gz	CBRFFSHUJASLDN-KFHRBPSFSA-N	1	0	369.440	1.870	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)s2)C1	ZINC001196891880	971958921	/nfs/dbraw/zinc/95/89/21/971958921.db2.gz	ISOOFWXMPLKSHI-CHWSQXEVSA-N	1	0	351.472	1.368	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCCCN2C(C)=O)C1	ZINC001196854086	971961706	/nfs/dbraw/zinc/96/17/06/971961706.db2.gz	MXBXKZIKCAKYSY-GUDVDZBRSA-N	1	0	365.518	1.685	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCN(CC(F)F)C3)C[C@]2(C)C1	ZINC001091958042	953854806	/nfs/dbraw/zinc/85/48/06/953854806.db2.gz	YVSUYCWHRAVXKT-MDZRGWNJSA-N	1	0	353.457	1.767	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)CCCC[NH+]2CCCC2)CCN1c1cnc(C#N)cn1	ZINC001091988655	953889150	/nfs/dbraw/zinc/88/91/50/953889150.db2.gz	UNNPCOMGEWEZPF-WBVHZDCISA-N	1	0	356.474	1.698	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3C[N@@H+](Cc4cc(C)ncn4)C[C@@]3(C)C2)c1	ZINC001091998346	953918890	/nfs/dbraw/zinc/91/88/90/953918890.db2.gz	ZYJFCBHMKJGPQF-NQIIRXRSSA-N	1	0	361.449	1.755	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)CC2CCCC2)C1	ZINC001196926328	971974078	/nfs/dbraw/zinc/97/40/78/971974078.db2.gz	WMCXUYMHXBFNBH-QZTJIDSGSA-N	1	0	367.534	1.815	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)C4(C)CC=CC4)C[C@]3(C)C2)C1=O	ZINC001091977555	953972077	/nfs/dbraw/zinc/97/20/77/953972077.db2.gz	GTQJMUYWPHGKBY-WWMYMODYSA-N	1	0	357.498	1.910	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4nnnn4CC3)C[C@]2(C)C1	ZINC001092033593	953990974	/nfs/dbraw/zinc/99/09/74/953990974.db2.gz	GKDOTTURLZFOEC-MDZRGWNJSA-N	1	0	358.490	1.372	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CCN1c1ccc(C#N)cn1	ZINC001092025041	954108311	/nfs/dbraw/zinc/10/83/11/954108311.db2.gz	IBMMMPPVTDENMH-QAPCUYQASA-N	1	0	364.453	1.958	20	30		FDEDRO
C[C@]12CN(C(=O)CCc3cn[nH]n3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001092028745	954125406	/nfs/dbraw/zinc/12/54/06/954125406.db2.gz	YLBKTGNFOXQHAZ-XLIONFOSSA-N	1	0	364.453	1.589	20	30		FDEDRO
C[C@]12CN(C(=O)Cc3cnc[nH]3)C[C@H]1C[N@H+](Cc1ccc(C#N)s1)C2	ZINC001092053004	954147701	/nfs/dbraw/zinc/14/77/01/954147701.db2.gz	VQBGJBTVHGNMSM-ACJLOTCBSA-N	1	0	355.467	1.866	20	30		FDEDRO
C=C(Cl)CN1C[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@]2(C)C1	ZINC001092087795	954242692	/nfs/dbraw/zinc/24/26/92/954242692.db2.gz	NRTHGGAQWHCVKB-AEFFLSMTSA-N	1	0	365.909	1.591	20	30		FDEDRO
C[C@]12CN(C(=O)C[C@@H]3CCC(=O)N3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001092093706	954266399	/nfs/dbraw/zinc/26/63/99/954266399.db2.gz	ZQUDHNSFKKMCAG-LQWHRVPQSA-N	1	0	366.465	1.507	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+](Cc4conc4C)C[C@@]3(C)C2)nc1	ZINC001092209681	954614482	/nfs/dbraw/zinc/61/44/82/954614482.db2.gz	UNSOXSZNUJPOQH-XLIONFOSSA-N	1	0	350.422	1.953	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc4c(c3)C(=O)NC4=O)C[C@]2(C)C1	ZINC001092211071	954617141	/nfs/dbraw/zinc/61/71/41/954617141.db2.gz	YROFDQWLGNHZRE-VFNWGFHPSA-N	1	0	367.449	1.930	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1C[C@H]2CN(c3cnc(C#N)cn3)C[C@@]2(C)C1	ZINC001092293783	954901051	/nfs/dbraw/zinc/90/10/51/954901051.db2.gz	UTHUJONIXNNZOS-BEFAXECRSA-N	1	0	356.474	1.365	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc4[nH]c(=O)n(C)c4c3)C[C@]2(C)C1	ZINC001092327924	954949921	/nfs/dbraw/zinc/94/99/21/954949921.db2.gz	LBAJTTLQZPYBAS-QRWLVFNGSA-N	1	0	352.438	1.696	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CNC(=O)CCCC[NH+]1CCCC1	ZINC001092379207	954972825	/nfs/dbraw/zinc/97/28/25/954972825.db2.gz	VKXWXMDZHAPAAH-IAGOWNOFSA-N	1	0	370.501	1.803	20	30		FDEDRO
Cc1nsc(N2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)c1C#N	ZINC001092384906	954983789	/nfs/dbraw/zinc/98/37/89/954983789.db2.gz	NNELZOMRGQLXNR-TZMCWYRMSA-N	1	0	365.503	1.090	20	30		FDEDRO
C[C@@H]1CN(c2ncccc2C#N)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1	ZINC001092395406	954999534	/nfs/dbraw/zinc/99/95/34/954999534.db2.gz	YMWLZWONXQAGCR-NVXWUHKLSA-N	1	0	371.485	1.253	20	30		FDEDRO
CC#CCN1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1nccn12	ZINC001092372253	955044799	/nfs/dbraw/zinc/04/47/99/955044799.db2.gz	INXZSJMIVCLPEC-YESZJQIVSA-N	1	0	355.486	1.209	20	30		FDEDRO
Cc1nsc(N2C[C@@H](CNC(=O)C[N@H+]3CC[C@H](C)C3)[C@H](C)C2)c1C#N	ZINC001092445728	955120838	/nfs/dbraw/zinc/12/08/38/955120838.db2.gz	ZRPJIBVCYSORED-GZBFAFLISA-N	1	0	361.515	1.854	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)[C@@H]1COCCO1	ZINC001092469313	955202125	/nfs/dbraw/zinc/20/21/25/955202125.db2.gz	AASIKVMYDXWCCO-QBIMZIAESA-N	1	0	361.417	1.297	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C	ZINC001092523438	955320410	/nfs/dbraw/zinc/32/04/10/955320410.db2.gz	JBYIBGLPSPHWCR-NUJGCVRESA-N	1	0	370.501	1.801	20	30		FDEDRO
COc1coc(C[N@H+]2C[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)cc1=O	ZINC001092546098	955378938	/nfs/dbraw/zinc/37/89/38/955378938.db2.gz	LHHCWPLWWITMBL-CHWSQXEVSA-N	1	0	370.409	1.346	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1CCNC(=O)[C@H](C1CC1)[NH+](C)C	ZINC001092550294	955397478	/nfs/dbraw/zinc/39/74/78/955397478.db2.gz	SALNQVDAXRLKHW-OGWOLHLISA-N	1	0	355.486	1.872	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC001092551378	955402729	/nfs/dbraw/zinc/40/27/29/955402729.db2.gz	ZERAVQHSACCZBW-HUUCEWRRSA-N	1	0	357.458	1.197	20	30		FDEDRO
Cc1cc(C)n(CC[N@@H+]2C[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)n1	ZINC001092553536	955416709	/nfs/dbraw/zinc/41/67/09/955416709.db2.gz	IVADXYAOCRGPBY-CXAGYDPISA-N	1	0	354.458	1.698	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC001092553268	955416823	/nfs/dbraw/zinc/41/68/23/955416823.db2.gz	LRQFWRJTDDPUNJ-ZMSDIMECSA-N	1	0	371.485	1.443	20	30		FDEDRO
C=CCCCCC[N@H+]1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC001197141619	972097129	/nfs/dbraw/zinc/09/71/29/972097129.db2.gz	KJMDAMSKATXYQP-ZWKOTPCHSA-N	1	0	365.518	1.903	20	30		FDEDRO
Cc1noc(CCC[N@@H+]2C[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)n1	ZINC001092532497	955499058	/nfs/dbraw/zinc/49/90/58/955499058.db2.gz	XVVHIASTWQVZDX-IUODEOHRSA-N	1	0	356.430	1.508	20	30		FDEDRO
CCn1ncc(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]2C)n1	ZINC001092591391	955573624	/nfs/dbraw/zinc/57/36/24/955573624.db2.gz	JLCSHJZVXQBNHO-CZUORRHYSA-N	1	0	370.432	1.807	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2CN(c3cncc(C#N)n3)C[C@H]2C)CC[N@@H+]1C	ZINC001092598140	955603535	/nfs/dbraw/zinc/60/35/35/955603535.db2.gz	NYQKLYKPEHYWCI-XYVMCAHJSA-N	1	0	370.501	1.657	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)c1cnnn1C	ZINC001092581980	955721996	/nfs/dbraw/zinc/72/19/96/955721996.db2.gz	DQZAHENPSYVHCY-IUODEOHRSA-N	1	0	356.405	1.324	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)c1ncn(C)n1	ZINC001092583799	955728064	/nfs/dbraw/zinc/72/80/64/955728064.db2.gz	RMYUUIGCLDQEGV-IUODEOHRSA-N	1	0	356.405	1.324	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1CNc1nccnc1C#N	ZINC001092653278	955807235	/nfs/dbraw/zinc/80/72/35/955807235.db2.gz	VKZLPFUWNGZWHY-HZPDHXFCSA-N	1	0	356.474	1.731	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](CNc2ccncc2C#N)[C@H](C)C1	ZINC001092662645	955940437	/nfs/dbraw/zinc/94/04/37/955940437.db2.gz	VOYIPIOVOVJMPL-DJIMGWMZSA-N	1	0	361.465	1.561	20	30		FDEDRO
CC[C@H](C(=O)N1C[C@@H](CNc2cnc(C#N)cn2)[C@H](C)C1)[NH+](CC)CC	ZINC001092674649	955982429	/nfs/dbraw/zinc/98/24/29/955982429.db2.gz	NADOXCJARVMZST-BFYDXBDKSA-N	1	0	358.490	1.975	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)[C@@H]1CCCNC1=O	ZINC001092699948	956085924	/nfs/dbraw/zinc/08/59/24/956085924.db2.gz	XQNKVTAOYKVRIM-XJKCOSOUSA-N	1	0	360.483	1.330	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@H]1C	ZINC001092689616	956195784	/nfs/dbraw/zinc/19/57/84/956195784.db2.gz	OHTBXNRYNVWTCT-SUMDDJOVSA-N	1	0	355.486	1.067	20	30		FDEDRO
CCN1CCOC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C	ZINC001092754091	956280710	/nfs/dbraw/zinc/28/07/10/956280710.db2.gz	IFCJOOJAHKMAOW-AHRSYUTCSA-N	1	0	370.497	1.463	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@@H]3CCN(CC)C3=O)C[C@H]2C)cc1	ZINC001092876792	956624850	/nfs/dbraw/zinc/62/48/50/956624850.db2.gz	MFNFUAFMOIRKNS-ATZDWAIDSA-N	1	0	353.466	1.586	20	30		FDEDRO
CCc1nc(C#N)cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C3)n1	ZINC001092885975	956669267	/nfs/dbraw/zinc/66/92/67/956669267.db2.gz	BMGYVQDRHUOWRO-DRMAHVMPSA-N	1	0	368.485	1.477	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)[C@H]1CCN(C)C1=O	ZINC001092897633	956827607	/nfs/dbraw/zinc/82/76/07/956827607.db2.gz	KYTMOCMTLGIROL-XJKCOSOUSA-N	1	0	360.483	1.282	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@H]1CCC(=O)N1C	ZINC001092903456	956845672	/nfs/dbraw/zinc/84/56/72/956845672.db2.gz	KJZJOCKMHGUEJW-ZTFGCOKTSA-N	1	0	354.454	1.363	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[N@H+](Cc3cncc(OC)n3)C[C@H]2C)c1	ZINC001092952742	956887945	/nfs/dbraw/zinc/88/79/45/956887945.db2.gz	QXTGTGVUFMQFFS-RHSMWYFYSA-N	1	0	365.437	1.359	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)c1cn(C)c(=O)[nH]1	ZINC001092937473	956960728	/nfs/dbraw/zinc/96/07/28/956960728.db2.gz	SFIQAICREKYURR-CZUORRHYSA-N	1	0	353.426	1.495	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1C	ZINC001092977759	956974469	/nfs/dbraw/zinc/97/44/69/956974469.db2.gz	GWWJIEUXLKTTKS-DDBAPUKQSA-N	1	0	359.470	1.161	20	30		FDEDRO
C[NH+]1CCC(OCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)nc2)CC1	ZINC001093001217	957105312	/nfs/dbraw/zinc/10/53/12/957105312.db2.gz	ZXSLQLVWJJMEOL-LZQZEXGQSA-N	1	0	369.469	1.290	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)c3cnoc3CC)[C@H](C)C2)C1=O	ZINC001093016893	957137098	/nfs/dbraw/zinc/13/70/98/957137098.db2.gz	NEVJRZLSFBSIIY-IIAWOOMASA-N	1	0	360.458	1.322	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nc1	ZINC001093018493	957142534	/nfs/dbraw/zinc/14/25/34/957142534.db2.gz	HYLZLBVZBPXOSW-SPUZQDLCSA-N	1	0	359.449	1.859	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)cn1	ZINC001093018856	957145174	/nfs/dbraw/zinc/14/51/74/957145174.db2.gz	NAFPJQHYUKOUGV-VQHPVUNQSA-N	1	0	359.449	1.859	20	30		FDEDRO
C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1)CC(C)(C)C	ZINC001093047328	957213656	/nfs/dbraw/zinc/21/36/56/957213656.db2.gz	NBKFEMVSMILOFW-OAGGEKHMSA-N	1	0	356.474	1.552	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cc(OC)no2)C[C@H]1C	ZINC001093049187	957218750	/nfs/dbraw/zinc/21/87/50/957218750.db2.gz	SPYYHFHVMFLHOM-DEICHXMPSA-N	1	0	363.458	1.849	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](CCc3ccns3)C[C@H]2C)nn1	ZINC001093035269	957253366	/nfs/dbraw/zinc/25/33/66/957253366.db2.gz	VQWRFYHCOSWNBA-ZIAGYGMSSA-N	1	0	360.487	1.461	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)c3ccc(OC)o3)[C@H](C)C2)C1=O	ZINC001093080277	957349775	/nfs/dbraw/zinc/34/97/75/957349775.db2.gz	VYJJZUNKOWGQQN-RBSFLKMASA-N	1	0	361.442	1.373	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@]12CCC[C@H]1CN(c1cncc(C#N)n1)C2	ZINC001093108781	957419552	/nfs/dbraw/zinc/41/95/52/957419552.db2.gz	YLTXXOBSSXVMJI-VPWXQRGCSA-N	1	0	368.485	1.698	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H]3CCC[C@]3(NC(=O)CCC[NH+](C)C)C2)n1	ZINC001093101639	957421926	/nfs/dbraw/zinc/42/19/26/957421926.db2.gz	OWTFVYPRBPDLMP-YWZLYKJASA-N	1	0	370.501	1.728	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3c[nH]cc3C3CC3)[C@H](C)C2)C1=O	ZINC001093089726	957520362	/nfs/dbraw/zinc/52/03/62/957520362.db2.gz	BWRJOIYUDWWFKS-OGWOLHLISA-N	1	0	370.497	1.977	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1CN(c1cc(C#N)nc(CC)n1)C2	ZINC001093091937	957539735	/nfs/dbraw/zinc/53/97/35/957539735.db2.gz	UKIRNYVXPIHVKU-YWZLYKJASA-N	1	0	370.501	1.728	20	30		FDEDRO
CCOC(=O)[C@H](C#N)NC(=O)c1cccc(CN2CCC[N@H+](C)CC2)c1	ZINC001197521308	972273766	/nfs/dbraw/zinc/27/37/66/972273766.db2.gz	SPFHXTNDIVMOOK-KRWDZBQOSA-N	1	0	358.442	1.009	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3cc(OC)ccn3)C[C@H]2C)nc1	ZINC001093138003	957631818	/nfs/dbraw/zinc/63/18/18/957631818.db2.gz	NXAICVARTOYWCL-NVXWUHKLSA-N	1	0	364.449	1.964	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)[C@@H]1CCC(=O)N1	ZINC001093139747	957635131	/nfs/dbraw/zinc/63/51/31/957635131.db2.gz	SDAGPUJGVWADIQ-VMGRFDJRSA-N	1	0	358.417	1.160	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]2C)cn1	ZINC001093142981	957640615	/nfs/dbraw/zinc/64/06/15/957640615.db2.gz	MIIKDZUKYAHGER-KYJSFNMBSA-N	1	0	364.453	1.140	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]2C)nc1	ZINC001093143309	957641643	/nfs/dbraw/zinc/64/16/43/957641643.db2.gz	ZCMNKLAOSSOGFU-DJIMGWMZSA-N	1	0	364.453	1.140	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)[C@@H]1CCC(=O)N1	ZINC001093143467	957642076	/nfs/dbraw/zinc/64/20/76/957642076.db2.gz	JELFPVUBISRXTJ-VMGRFDJRSA-N	1	0	358.417	1.160	20	30		FDEDRO
C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@]2(CNc2ccncc2C#N)C1	ZINC001093129844	957671740	/nfs/dbraw/zinc/67/17/40/957671740.db2.gz	QTHMVOSOVQRQNC-PXNSSMCTSA-N	1	0	355.486	1.758	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@H]1CCC(=O)N(C)C1	ZINC001093230513	957867618	/nfs/dbraw/zinc/86/76/18/957867618.db2.gz	IGBQRJBKVANRSL-AYOQOUSVSA-N	1	0	368.481	1.611	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3ocnc3C)C[C@H]2C)C1=O	ZINC001093275291	957945684	/nfs/dbraw/zinc/94/56/84/957945684.db2.gz	XQRRFUBMXSFSAN-FVQBIDKESA-N	1	0	360.458	1.458	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3ccnnc3C)C[C@H]2C)C1=O	ZINC001093278451	957949175	/nfs/dbraw/zinc/94/91/75/957949175.db2.gz	ANZPNFACLXJSKS-QGPMSJSTSA-N	1	0	371.485	1.260	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCCNC2=O)C1	ZINC001093278524	957950084	/nfs/dbraw/zinc/95/00/84/957950084.db2.gz	CGNIIDMPWGHQDB-BRWVUGGUSA-N	1	0	358.486	1.641	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCNC2=O)C1	ZINC001093288628	957978489	/nfs/dbraw/zinc/97/84/89/957978489.db2.gz	KWSCCHUIBTWAPU-ATZDWAIDSA-N	1	0	353.466	1.173	20	30		FDEDRO
COCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccccc3C#N)C2)[C@H]1C(C)C	ZINC001093414717	958030461	/nfs/dbraw/zinc/03/04/61/958030461.db2.gz	FPUHQIYTFBLASS-UKAVVXHISA-N	1	0	371.481	1.671	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCn3cncn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093431861	958055460	/nfs/dbraw/zinc/05/54/60/958055460.db2.gz	XWDUJGMTAXOARO-FPAYPSAMSA-N	1	0	361.490	1.210	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(CC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093442980	958083191	/nfs/dbraw/zinc/08/31/91/958083191.db2.gz	MUUHWBAWTZPDHU-KLICCBINSA-N	1	0	361.490	1.454	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc4n[nH]nc43)[C@H]2C(C)C)C[C@H]1O	ZINC001093446615	958095634	/nfs/dbraw/zinc/09/56/34/958095634.db2.gz	JAWGJNIUQFDRKX-HBXLWWENSA-N	1	0	369.469	1.724	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnc4[nH]cnc43)[C@H]2C(C)C)C[C@H]1O	ZINC001093448167	958106284	/nfs/dbraw/zinc/10/62/84/958106284.db2.gz	FLJRERGZVPXFNK-UOSKARGWSA-N	1	0	369.469	1.724	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc4n(n3)CCO4)[C@H]2C(C)C)C[C@H]1O	ZINC001093448406	958107206	/nfs/dbraw/zinc/10/72/06/958107206.db2.gz	IXCJMQANGGFNGH-IIHSZXCVSA-N	1	0	360.458	1.041	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@@H]1C(C)C	ZINC001093448933	958112139	/nfs/dbraw/zinc/11/21/39/958112139.db2.gz	DFXXOIGISWGJLW-PHXBYCTMSA-N	1	0	361.486	1.246	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(OCC)n[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093451409	958132268	/nfs/dbraw/zinc/13/22/68/958132268.db2.gz	TXBSDJNGDUQBFU-RRIFGTCXSA-N	1	0	360.458	1.021	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc4nonc4c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093462111	958194062	/nfs/dbraw/zinc/19/40/62/958194062.db2.gz	NFKXHIGKDRBQKJ-MLYOOKFZSA-N	1	0	368.437	1.436	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001093465421	958204212	/nfs/dbraw/zinc/20/42/12/958204212.db2.gz	JOOBZJUJYRBUSQ-CIWUYKSXSA-N	1	0	362.518	1.208	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccnc(OC)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093466270	958209075	/nfs/dbraw/zinc/20/90/75/958209075.db2.gz	NGECEBNHASSLJS-SGLNWRHMSA-N	1	0	371.481	1.232	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(CF)CCOCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093467132	958213385	/nfs/dbraw/zinc/21/33/85/958213385.db2.gz	SWWMSEJTJZBFEI-WWNBULGVSA-N	1	0	366.477	1.352	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc4nc[nH]c43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093469626	958223581	/nfs/dbraw/zinc/22/35/81/958223581.db2.gz	JCOJRJYRLXNXQZ-VGUOSERISA-N	1	0	366.465	1.776	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3coc(CC4CC4)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093469632	958223629	/nfs/dbraw/zinc/22/36/29/958223629.db2.gz	JDFQSWQXFYFRKU-DOSUHQCWSA-N	1	0	371.481	1.840	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccnn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093469788	958224584	/nfs/dbraw/zinc/22/45/84/958224584.db2.gz	KXZQQMUKLXNGGW-YFHUEUNASA-N	1	0	364.877	1.809	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)nc(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093469870	958224612	/nfs/dbraw/zinc/22/46/12/958224612.db2.gz	MJTHQXLKXDTMAO-MLYOOKFZSA-N	1	0	358.486	1.859	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3coc(COC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093470115	958225649	/nfs/dbraw/zinc/22/56/49/958225649.db2.gz	PPBLAVMXANFTIV-LRCYWBKYSA-N	1	0	361.442	1.034	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnon3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093474074	958246115	/nfs/dbraw/zinc/24/61/15/958246115.db2.gz	SACQHTNRYYWLNW-XKVFNRALSA-N	1	0	354.838	1.402	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc(OC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093474261	958247918	/nfs/dbraw/zinc/24/79/18/958247918.db2.gz	UHBLCOCBILPZKP-QQTQMKHKSA-N	1	0	359.470	1.856	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3nnc[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001093474471	958249245	/nfs/dbraw/zinc/24/92/45/958249245.db2.gz	VFCRSHMRMTTWCW-UTJXIGIESA-N	1	0	367.881	1.066	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccn(C)c3=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001093475538	958252549	/nfs/dbraw/zinc/25/25/49/958252549.db2.gz	YFZUQIVMKFKZOA-WOCWXWTJSA-N	1	0	359.470	1.151	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3cncn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093476427	958254656	/nfs/dbraw/zinc/25/46/56/958254656.db2.gz	AYIAGAARZPBSNR-HNBVOPMISA-N	1	0	360.502	1.505	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C)cc(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452841	958259289	/nfs/dbraw/zinc/25/92/89/958259289.db2.gz	OURFAHUOEMHKIZ-XCJLJZCSSA-N	1	0	355.482	1.911	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cc(C4CC4)cn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093452663	958259596	/nfs/dbraw/zinc/25/95/96/958259596.db2.gz	MCFXOPYQZVYBNB-RMVXJAJNSA-N	1	0	370.497	1.360	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3coc(OCC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093453018	958260704	/nfs/dbraw/zinc/26/07/04/958260704.db2.gz	SCTBGJNUJNLRLA-JNNRSPCRSA-N	1	0	363.458	1.839	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn(C)c3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093453489	958263344	/nfs/dbraw/zinc/26/33/44/958263344.db2.gz	WDUKBPVYQKHBEX-UIXUWTQFSA-N	1	0	358.486	1.195	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093454865	958270490	/nfs/dbraw/zinc/27/04/90/958270490.db2.gz	CKZBGTIBFVRWOI-KBEGMRNHSA-N	1	0	366.893	1.752	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nc(C)c(C)nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093456540	958277882	/nfs/dbraw/zinc/27/78/82/958277882.db2.gz	FODPISVZVWSCTQ-REHHDOPLSA-N	1	0	370.497	1.615	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COc3ccc(C)cc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093478483	958292920	/nfs/dbraw/zinc/29/29/20/958292920.db2.gz	QSIPGIDUOIBWSG-KRXUUXHPSA-N	1	0	370.493	1.973	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH]c4ncccc34)[C@H]2C(C)C)C[C@H]1O	ZINC001093479534	958300679	/nfs/dbraw/zinc/30/06/79/958300679.db2.gz	VAEJTXLVAJDPOM-WIRSXHRWSA-N	1	0	366.465	1.776	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3ccnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093480878	958304552	/nfs/dbraw/zinc/30/45/52/958304552.db2.gz	PPSMOJINWSHTEM-LFGUQSLTSA-N	1	0	360.502	1.734	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc(CC)s3)[C@H]2C(C)C)C[C@H]1O	ZINC001093481838	958308932	/nfs/dbraw/zinc/30/89/32/958308932.db2.gz	YRANXHAGTQBDPI-GNSPCKGOSA-N	1	0	361.511	1.918	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@@H]1C[N@H+](CCCCCOC)C[C@H]1O	ZINC001197657500	972340353	/nfs/dbraw/zinc/34/03/53/972340353.db2.gz	JCZRJSVQSPYEEZ-HZPDHXFCSA-N	1	0	363.458	1.238	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001093630019	958388495	/nfs/dbraw/zinc/38/84/95/958388495.db2.gz	AMHHGTMINSKFLD-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
C#C[C@@H]([NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1)[C@@H]1CCCO1	ZINC000775784304	972352105	/nfs/dbraw/zinc/35/21/05/972352105.db2.gz	HSBMPTCQVQDOPG-MSOLQXFVSA-N	1	0	355.438	1.912	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2nn(C)cc2Br)[C@H](C)C1	ZINC001093677952	958530768	/nfs/dbraw/zinc/53/07/68/958530768.db2.gz	GRWNMHOGAMZKQB-QJPTWQEYSA-N	1	0	368.279	1.526	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCc2nnc[nH]2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001093699347	958564965	/nfs/dbraw/zinc/56/49/65/958564965.db2.gz	PGHGSCOEZOCBPY-CZUORRHYSA-N	1	0	370.432	1.632	20	30		FDEDRO
CC(C)N1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)C1=O	ZINC001093699557	958565753	/nfs/dbraw/zinc/56/57/53/958565753.db2.gz	DWXXIVOSPNLKEC-FVQBIDKESA-N	1	0	357.458	1.193	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093712078	958574632	/nfs/dbraw/zinc/57/46/32/958574632.db2.gz	PATIBHPBCPYFPB-HZSPNIEDSA-N	1	0	360.483	1.330	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1nnc(C2CC2)o1	ZINC001093722273	958597876	/nfs/dbraw/zinc/59/78/76/958597876.db2.gz	WAMXWGJZRZFWDM-DGCLKSJQSA-N	1	0	354.414	1.645	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1nnc(C(C)(C)C)[nH]1	ZINC001093722467	958598387	/nfs/dbraw/zinc/59/83/87/958598387.db2.gz	HHCSREUEQUDOGN-CHWSQXEVSA-N	1	0	369.473	1.800	20	30		FDEDRO
CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)s1	ZINC001093722615	958599118	/nfs/dbraw/zinc/59/91/18/958599118.db2.gz	UFUXVPZGBXSSLM-VXGBXAGGSA-N	1	0	358.471	1.798	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C	ZINC001093752464	958678040	/nfs/dbraw/zinc/67/80/40/958678040.db2.gz	PGRFMIQNOUGJOA-CZUORRHYSA-N	1	0	368.441	1.193	20	30		FDEDRO
CCn1ncc(C(=O)N2C[C@@H](C[NH2+]Cc3cccc(C#N)c3)[C@H](C)C2)n1	ZINC001093755963	958686136	/nfs/dbraw/zinc/68/61/36/958686136.db2.gz	OWNCKEUZZVUXME-RHSMWYFYSA-N	1	0	352.442	1.668	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001093764838	958707238	/nfs/dbraw/zinc/70/72/38/958707238.db2.gz	HCUYZEGLAGBHQN-RHSMWYFYSA-N	1	0	369.444	1.858	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093832887	958925734	/nfs/dbraw/zinc/92/57/34/958925734.db2.gz	FVDPWNQXPRPCKC-OEUWWYETSA-N	1	0	363.483	1.608	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)Cc3cncs3)C[C@H]2C)C1=O	ZINC001093841974	958955998	/nfs/dbraw/zinc/95/59/98/958955998.db2.gz	YEGVRRPZRZEKRD-FMKPAKJESA-N	1	0	362.499	1.157	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCN(C)C2=O)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093847131	958970812	/nfs/dbraw/zinc/97/08/12/958970812.db2.gz	RCAAIFRHXNNBTK-GPMSIDNRSA-N	1	0	368.481	1.611	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093882836	959109181	/nfs/dbraw/zinc/10/91/81/959109181.db2.gz	BXFCCUNOOICGFF-FHLIZLRMSA-N	1	0	354.454	1.269	20	30		FDEDRO
COc1nccc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)cc3)[C@H](C)C2)n1	ZINC001093910111	959172852	/nfs/dbraw/zinc/17/28/52/959172852.db2.gz	LAPDNCMOZVGIHS-RHSMWYFYSA-N	1	0	365.437	1.855	20	30		FDEDRO
COc1cnc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)s3)[C@H](C)C2)nc1	ZINC001093906493	959294069	/nfs/dbraw/zinc/29/40/69/959294069.db2.gz	LJOVDBCCDCMWHK-CHWSQXEVSA-N	1	0	371.466	1.916	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001093964526	959375252	/nfs/dbraw/zinc/37/52/52/959375252.db2.gz	ZUICEYHOKLEQMN-DAXOMENPSA-N	1	0	358.417	1.018	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001093966441	959378334	/nfs/dbraw/zinc/37/83/34/959378334.db2.gz	HFIKDMJSEZNZKX-IUODEOHRSA-N	1	0	371.416	1.634	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCNC(=O)CC2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093940268	959408984	/nfs/dbraw/zinc/40/89/84/959408984.db2.gz	BQTZBAQPXKAVSZ-ATZDWAIDSA-N	1	0	368.481	1.659	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001093977516	959524422	/nfs/dbraw/zinc/52/44/22/959524422.db2.gz	PWYLARWUYAXPBO-FZWVUDROSA-N	1	0	357.429	1.774	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3nc(CCC)no3)[C@H](C)C2)c1	ZINC001094028008	959550102	/nfs/dbraw/zinc/55/01/02/959550102.db2.gz	MZUWYLXJFXVMHS-RHSMWYFYSA-N	1	0	367.453	1.896	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc(=O)n2C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001094030870	959558061	/nfs/dbraw/zinc/55/80/61/959558061.db2.gz	YFKDSKDPUOSUFR-CRAIPNDOSA-N	1	0	364.449	1.755	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cccc(OC)n2)[C@H](C)C1	ZINC001094055166	959644999	/nfs/dbraw/zinc/64/49/99/959644999.db2.gz	MAIFNYSAGRJDRJ-AHCXZYCDSA-N	1	0	359.470	1.865	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001094016464	959661170	/nfs/dbraw/zinc/66/11/70/959661170.db2.gz	SRNQCFSXTIRMLO-VXGBXAGGSA-N	1	0	359.455	1.557	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3cccc(C#N)c3)[C@H](C)C2)nn1	ZINC001094095104	959771094	/nfs/dbraw/zinc/77/10/94/959771094.db2.gz	FXFYHHNCYXQNFS-CRAIPNDOSA-N	1	0	364.453	1.834	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3cccnc3C)[C@H](C)C2)nn1	ZINC001094095673	959773590	/nfs/dbraw/zinc/77/35/90/959773590.db2.gz	VVGHNZNVBIVYRD-RHSMWYFYSA-N	1	0	354.458	1.665	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3cc(C)no3)[C@H](C)C2)nn1	ZINC001094101422	959780430	/nfs/dbraw/zinc/78/04/30/959780430.db2.gz	SDQBFRDOBUAEMI-UKRRQHHQSA-N	1	0	358.446	1.649	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3cc(C)nc(C)n3)C[C@H]2C)C1=O	ZINC001094110162	959790817	/nfs/dbraw/zinc/79/08/17/959790817.db2.gz	RWEBXWHMZHJBGD-KBRIMQKVSA-N	1	0	371.485	1.178	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3c(C)n[nH]c3C)C[C@H]2C)C1=O	ZINC001094114741	959806794	/nfs/dbraw/zinc/80/67/94/959806794.db2.gz	RPBMCAKOYVZUOR-DAXOMENPSA-N	1	0	359.474	1.111	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cc3n(n2)CCC3)[C@H](C)C1	ZINC001094103389	959885085	/nfs/dbraw/zinc/88/50/85/959885085.db2.gz	PGZPUJFJBKLYKI-YKCBXCCJSA-N	1	0	372.513	1.995	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)o2)[C@H](C)C1	ZINC001094158723	959928279	/nfs/dbraw/zinc/92/82/79/959928279.db2.gz	FRGOFBNSHRDAMU-UKRRQHHQSA-N	1	0	371.441	1.836	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001094165819	959951049	/nfs/dbraw/zinc/95/10/49/959951049.db2.gz	ALQWRCZSIVVHCU-CRAIPNDOSA-N	1	0	351.454	1.719	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nnc(CC)n3C)[C@H](C)C2)cn1	ZINC001094175051	959979711	/nfs/dbraw/zinc/97/97/11/959979711.db2.gz	ZOWRCTXXTZQRRU-GDBMZVCRSA-N	1	0	366.469	1.252	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3ccc(C)nc3C)C[C@H]2C)C1=O	ZINC001094238031	960153073	/nfs/dbraw/zinc/15/30/73/960153073.db2.gz	WJWQICJILSHUPD-BJZITVGISA-N	1	0	370.497	1.783	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N(C)C2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001094244544	960174177	/nfs/dbraw/zinc/17/41/77/960174177.db2.gz	XVWFAFPKTKHUJT-AYOQOUSVSA-N	1	0	368.481	1.611	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cn3ccnc3)C[C@H]2C)cc1C#N	ZINC001094254100	960198502	/nfs/dbraw/zinc/19/85/02/960198502.db2.gz	SIJUQFIZBJXOPE-CRAIPNDOSA-N	1	0	367.453	1.648	20	30		FDEDRO
C#C[C@H]([NH2+][C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)[C@@H]1CCCO1	ZINC000775791120	972487053	/nfs/dbraw/zinc/48/70/53/972487053.db2.gz	SDKFBXYDRIGIFR-FSDCSDTHSA-N	1	0	358.438	1.794	20	30		FDEDRO
C#C[C@@H](NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1)[C@@H]1CCCO1	ZINC000773270881	960218449	/nfs/dbraw/zinc/21/84/49/960218449.db2.gz	AFUWPOHHOSHMHG-MOPGFXCFSA-N	1	0	359.470	1.997	20	30		FDEDRO
Cc1nonc1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)[C@H](C)C1	ZINC001094255904	960229871	/nfs/dbraw/zinc/22/98/71/960229871.db2.gz	AMUSFDVDMRXXGL-IAQYHMDHSA-N	1	0	357.389	1.887	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)N2CCC2)CC3)c[nH]1	ZINC001094393628	960341864	/nfs/dbraw/zinc/34/18/64/960341864.db2.gz	ONRKNCAZRJAJSS-VQIMIIECSA-N	1	0	355.442	1.093	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3COCCN3CC)CCC[C@@H]12	ZINC001094453438	960533911	/nfs/dbraw/zinc/53/39/11/960533911.db2.gz	UENUDDHRPYWUJX-LZLYRXPVSA-N	1	0	355.910	1.820	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnc4[nH]c(=O)[nH]c4c3)CCC[C@@H]12	ZINC001094454324	960536761	/nfs/dbraw/zinc/53/67/61/960536761.db2.gz	WLKAXQXAHZICMU-DNVCBOLYSA-N	1	0	353.426	1.661	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4c(n3)OCCO4)CCC[C@@H]12	ZINC001094458222	960555516	/nfs/dbraw/zinc/55/55/16/960555516.db2.gz	KONBKQJVFHJCMH-YLJYHZDGSA-N	1	0	355.438	1.851	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)C2CCN(C(=O)[C@@H]3C[C@H]3CC)CC2)CC1	ZINC000954022322	1013202829	/nfs/dbraw/zinc/20/28/29/1013202829.db2.gz	GUZARLRYYOTGGM-VQIMIIECSA-N	1	0	359.514	1.827	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H](C)O)CC2	ZINC001094563642	960822288	/nfs/dbraw/zinc/82/22/88/960822288.db2.gz	KGRAZALLXSHYER-XAUMDUMWSA-N	1	0	357.454	1.449	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C[C@H]1C	ZINC001181507462	960884147	/nfs/dbraw/zinc/88/41/47/960884147.db2.gz	FFFRGKXGAFEPLK-KYFSNAEOSA-N	1	0	361.530	1.882	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NCCC)C1	ZINC001181525328	960904496	/nfs/dbraw/zinc/90/44/96/960904496.db2.gz	IWWNJNQLJYDVNN-PDOICOKGSA-N	1	0	365.518	1.568	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)CC1	ZINC001181769040	961091731	/nfs/dbraw/zinc/09/17/31/961091731.db2.gz	FJZFJSKHUVDSOT-HOTGVXAUSA-N	1	0	367.465	1.795	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@@]1(C)C[NH2+]Cc1ccc(C#N)cc1	ZINC001181772925	961095132	/nfs/dbraw/zinc/09/51/32/961095132.db2.gz	XXMXAXRIXAWLTM-KPYYAMLLSA-N	1	0	371.481	1.936	20	30		FDEDRO
CC(C)N(C)Cc1nnc2n1CCCN(C(=O)Cc1ccccc1C#N)C2	ZINC001181798815	961120789	/nfs/dbraw/zinc/12/07/89/961120789.db2.gz	ZAJBKUWJJOTDLD-UHFFFAOYSA-N	1	0	366.469	1.965	20	30		FDEDRO
COc1cc(C)nc(N(C(=O)Cc2ccccc2C#N)C2CC[NH2+]CC2)n1	ZINC001181800335	961122138	/nfs/dbraw/zinc/12/21/38/961122138.db2.gz	WJARSFCEUSPQAM-UHFFFAOYSA-N	1	0	365.437	1.993	20	30		FDEDRO
CNC(=O)CN1C(=O)CC[C@@]12CCC[N@@H+]([C@H](C)Cc1ccc(C#N)cc1)C2	ZINC001172304526	961616228	/nfs/dbraw/zinc/61/62/28/961616228.db2.gz	NSPCAVDFKOLUNE-IIBYNOLFSA-N	1	0	368.481	1.692	20	30		FDEDRO
C=CCOc1ccc(CNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1	ZINC000651091631	1013275741	/nfs/dbraw/zinc/27/57/41/1013275741.db2.gz	MEZJUUZOZUGRDF-UHFFFAOYSA-N	1	0	360.458	1.167	20	30		FDEDRO
C#CCN(C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1	ZINC000774190022	961816094	/nfs/dbraw/zinc/81/60/94/961816094.db2.gz	WDLMMGYTQAIGHG-BQFCYCMXSA-N	1	0	369.531	1.329	20	30		FDEDRO
CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1	ZINC001172971266	961856195	/nfs/dbraw/zinc/85/61/95/961856195.db2.gz	NRQHLPXUGQYGRU-XHSDSOJGSA-N	1	0	350.463	1.879	20	30		FDEDRO
COCCN1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1	ZINC001172973049	961857900	/nfs/dbraw/zinc/85/79/00/961857900.db2.gz	FDRCIXBMIMERKL-IRXDYDNUSA-N	1	0	366.506	1.978	20	30		FDEDRO
CN1CCO[C@H]2C[N@@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@H]21	ZINC001172987895	961868229	/nfs/dbraw/zinc/86/82/29/961868229.db2.gz	HLLKJWYNWJDPRB-QXSJWSMHSA-N	1	0	350.463	1.293	20	30		FDEDRO
CC[N@H+](CCN1CCOCC1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1	ZINC001172988458	961870969	/nfs/dbraw/zinc/87/09/69/961870969.db2.gz	BMTHHCQHVAOGLZ-IRXDYDNUSA-N	1	0	366.506	1.932	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H](N2CC[NH+](CCCO)CC2)C[C@H]1C#N	ZINC001172990945	961901051	/nfs/dbraw/zinc/90/10/51/961901051.db2.gz	ZMKXWXDLRXTQJO-CVEARBPZSA-N	1	0	352.479	1.278	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCC[C@]3(CNC(=O)O3)C2)C[C@H]1C#N	ZINC001172991111	961901369	/nfs/dbraw/zinc/90/13/69/961901369.db2.gz	KQSQCAQNZRCXFU-DEYYWGMASA-N	1	0	364.446	1.852	20	30		FDEDRO
N#Cc1cccc(C[NH2+]CC2CC(NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)c1	ZINC000962115768	1013297390	/nfs/dbraw/zinc/29/73/90/1013297390.db2.gz	HNYIVQLYDBHOIK-KPZODNFCSA-N	1	0	369.465	1.594	20	30		FDEDRO
C=CCOC1CCC([N@H+]2CC[C@H]3O[C@H](C(=O)NCCOC)C[C@H]32)CC1	ZINC001173322336	962004640	/nfs/dbraw/zinc/00/46/40/962004640.db2.gz	CDCSNWNBTMSVAK-ILEACXBISA-N	1	0	352.475	1.495	20	30		FDEDRO
N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)C1CCCCC1	ZINC001110300893	962065539	/nfs/dbraw/zinc/06/55/39/962065539.db2.gz	RGNFDNMXJQZSHD-NCOADZHNSA-N	1	0	351.516	1.906	20	30		FDEDRO
N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCn1cncn1	ZINC001110301387	962071504	/nfs/dbraw/zinc/07/15/04/962071504.db2.gz	DAFWCNVKCOCSDK-OAGGEKHMSA-N	1	0	362.503	1.427	20	30		FDEDRO
C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@H+](Cc1ccc(CO)cc1)C2	ZINC001203183509	962072954	/nfs/dbraw/zinc/07/29/54/962072954.db2.gz	WDCXWTCYJAHPFM-OAQYLSRUSA-N	1	0	357.498	1.862	20	30		FDEDRO
C=C(C)C(=O)NCCC[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1	ZINC001173423875	962124803	/nfs/dbraw/zinc/12/48/03/962124803.db2.gz	PPQWMBSMMDQGJT-UHFFFAOYSA-N	1	0	354.454	1.835	20	30		FDEDRO
N#CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2COCCO2)C3)cc1	ZINC001095191702	962274838	/nfs/dbraw/zinc/27/48/38/962274838.db2.gz	HOLIAXQDGRYCEB-XGXHKWSGSA-N	1	0	371.437	1.226	20	30		FDEDRO
CC(C)(O)CC[NH+]1CCN(C(=O)Cc2c[nH]c3cccc(C#N)c23)CC1	ZINC001182581377	962321390	/nfs/dbraw/zinc/32/13/90/962321390.db2.gz	KSYXGAYEXMSWOM-UHFFFAOYSA-N	1	0	354.454	1.887	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1	ZINC001182700453	962457220	/nfs/dbraw/zinc/45/72/20/962457220.db2.gz	DKVOZBJCJRLONR-XMTFNYHQSA-N	1	0	358.486	1.541	20	30		FDEDRO
C=CCOC[C@@H]1c2nnn(C)c2CCN1C1CCN(CC(F)(F)F)CC1	ZINC001173668447	962548404	/nfs/dbraw/zinc/54/84/04/962548404.db2.gz	GLBODXPLXCFJFK-OAHLLOKOSA-N	1	0	373.423	1.944	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C2CS(=O)(=O)C2)[C@H]2CC[C@H]([NH3+])CC2)cc1	ZINC001182817261	962570300	/nfs/dbraw/zinc/57/03/00/962570300.db2.gz	SCEPIUVIVOLPCL-QAQDUYKDSA-N	1	0	361.467	1.201	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1C[C@@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21	ZINC001183043416	962756169	/nfs/dbraw/zinc/75/61/69/962756169.db2.gz	RUAMEEDCLWDKBX-RCCFBDPRSA-N	1	0	361.486	1.267	20	30		FDEDRO
CC[N@H+](CCCC(=O)N1CCNC[C@H]1C#N)[C@@H](C)Cc1ccc(O)cc1	ZINC001183046986	962759801	/nfs/dbraw/zinc/75/98/01/962759801.db2.gz	ADEWPDVSOZTTMT-FUHWJXTLSA-N	1	0	358.486	1.749	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H]2CCNC(=O)CC2)c1	ZINC001095282922	962766111	/nfs/dbraw/zinc/76/61/11/962766111.db2.gz	CYVOJQKIAUEXKE-GUSZCTEKSA-N	1	0	355.442	1.138	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1	ZINC001183053123	962786218	/nfs/dbraw/zinc/78/62/18/962786218.db2.gz	HXXFVLMCEOSAAN-HNNXBMFYSA-N	1	0	355.479	1.542	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)C#Cc2ccccc2)C1	ZINC000773448506	963030155	/nfs/dbraw/zinc/03/01/55/963030155.db2.gz	MCNBLKJSWMPZBZ-SFHVURJKSA-N	1	0	358.438	1.054	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccn(C)c(=O)c1	ZINC001175359215	963166088	/nfs/dbraw/zinc/16/60/88/963166088.db2.gz	RRIZTNMMBUUPNM-JQHSSLGASA-N	1	0	361.486	1.741	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCS(C)(=O)=O	ZINC001175366308	963169480	/nfs/dbraw/zinc/16/94/80/963169480.db2.gz	TYWVLBODCSDEKN-XHSDSOJGSA-N	1	0	360.520	1.277	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1coc3ccccc13)C2	ZINC001111502403	963171251	/nfs/dbraw/zinc/17/12/51/963171251.db2.gz	FCGWENCIBWUITI-XYPHTWIQSA-N	1	0	351.406	1.517	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C1	ZINC001183629818	963202683	/nfs/dbraw/zinc/20/26/83/963202683.db2.gz	QZXZRSLGPBAWLD-MCIONIFRSA-N	1	0	361.408	1.848	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1csc(COC)n1)C2	ZINC001110190524	963310403	/nfs/dbraw/zinc/31/04/03/963310403.db2.gz	BHCBOHBEORLYAL-IPYPFGDCSA-N	1	0	351.472	1.827	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCC[C@@]23CCCOC3)CC1	ZINC001177007802	963642000	/nfs/dbraw/zinc/64/20/00/963642000.db2.gz	CWJFFRNFCUPCTG-ICSRJNTNSA-N	1	0	362.518	1.714	20	30		FDEDRO
C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(C(=O)Nc3ccc(C#N)cc3)CC[C@@H]21	ZINC001184731120	963706233	/nfs/dbraw/zinc/70/62/33/963706233.db2.gz	DYIRHZLTYXDTRI-NJAFHUGGSA-N	1	0	365.441	1.776	20	30		FDEDRO
COCC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001177313819	963755670	/nfs/dbraw/zinc/75/56/70/963755670.db2.gz	RGSZAXVLMJXPRQ-IAGOWNOFSA-N	1	0	351.447	1.300	20	30		FDEDRO
CC1(C)CCCC[C@@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N	ZINC001110207809	963848937	/nfs/dbraw/zinc/84/89/37/963848937.db2.gz	UANAGPXZMLWWPM-NCOADZHNSA-N	1	0	360.502	1.954	20	30		FDEDRO
O=C(C#Cc1cccnc1)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1	ZINC001177773685	963948482	/nfs/dbraw/zinc/94/84/82/963948482.db2.gz	GKCNLPBIKBDFKW-UHFFFAOYSA-N	1	0	360.377	1.090	20	30		FDEDRO
O=C(C#Cc1ccccn1)Nc1ccc(N2CC[NH+](CCO)CC2)cc1	ZINC001177802457	963975709	/nfs/dbraw/zinc/97/57/09/963975709.db2.gz	HXYDQDSDVQKATN-UHFFFAOYSA-N	1	0	350.422	1.186	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2cc3ccccc3n(C)c2=O)CC1	ZINC000644147212	1013464850	/nfs/dbraw/zinc/46/48/50/1013464850.db2.gz	XRRPXZGTYIVLGX-UHFFFAOYSA-N	1	0	354.454	1.988	20	30		FDEDRO
CS(=O)(=O)N(C(=O)[C@H](C#N)Cc1cccs1)c1ccc(C[NH3+])cc1	ZINC001177916815	964019999	/nfs/dbraw/zinc/01/99/99/964019999.db2.gz	KPPYBNLSRUYOEF-ZDUSSCGKSA-N	1	0	363.464	1.882	20	30		FDEDRO
C=C(C)CC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@]34C[C@H]3COC4)C2)nn1	ZINC001185954808	964214450	/nfs/dbraw/zinc/21/44/50/964214450.db2.gz	PDFZRAMMMDMBAM-IEZWGBDMSA-N	1	0	359.474	1.534	20	30		FDEDRO
C=CCC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)nn1	ZINC001186008283	964251419	/nfs/dbraw/zinc/25/14/19/964251419.db2.gz	RJHQZWXECKTYJG-TVFCKZIOSA-N	1	0	359.474	1.675	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1C1CCOCC1	ZINC001179006189	964618621	/nfs/dbraw/zinc/61/86/21/964618621.db2.gz	ITVCXRHRZMDOHV-ZWKOTPCHSA-N	1	0	363.502	1.065	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[C@H]1CCCO1	ZINC000773801017	964730109	/nfs/dbraw/zinc/73/01/09/964730109.db2.gz	ZBFWCZCGDDSYGG-ZWKOTPCHSA-N	1	0	373.453	1.253	20	30		FDEDRO
CN(CC#N)C(=O)[C@@H]1C[N@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1	ZINC001179155444	964752420	/nfs/dbraw/zinc/75/24/20/964752420.db2.gz	WWASPCVAGRMFAA-AWEZNQCLSA-N	1	0	366.462	1.069	20	30		FDEDRO
COC(=O)C1(C#N)CCN(C(=O)c2ccccc2N2CC[NH+](C)CC2)CC1	ZINC001186897528	964817638	/nfs/dbraw/zinc/81/76/38/964817638.db2.gz	JRKIIYIWWQBMCC-UHFFFAOYSA-N	1	0	370.453	1.357	20	30		FDEDRO
N#CCSCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)Cc3ccccc3)C[C@H]21	ZINC001186917346	964876855	/nfs/dbraw/zinc/87/68/55/964876855.db2.gz	KNAIUJLNPMVAJU-RCCFBDPRSA-N	1	0	359.495	1.379	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)CNC(=O)C4CC4)[C@@H]3C2)c1	ZINC001187009653	964925820	/nfs/dbraw/zinc/92/58/20/964925820.db2.gz	JTYOGJJPQXYKLE-ZWKOTPCHSA-N	1	0	352.438	1.117	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@H]1C	ZINC001179584992	964931980	/nfs/dbraw/zinc/93/19/80/964931980.db2.gz	LAGZTTQTJLSIFA-PNKHAZJDSA-N	1	0	361.486	1.334	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+]CC(=O)N[C@@H](C)CC	ZINC001179633318	964940662	/nfs/dbraw/zinc/94/06/62/964940662.db2.gz	BRXLGLDSKQFJRX-BBWFWOEESA-N	1	0	353.507	1.758	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+]CC(=O)N1CCCC1	ZINC001179633699	964941163	/nfs/dbraw/zinc/94/11/63/964941163.db2.gz	IFMJLJBEHQXCRO-SJORKVTESA-N	1	0	351.491	1.466	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)[C@H]1C	ZINC001179686124	964943885	/nfs/dbraw/zinc/94/38/85/964943885.db2.gz	VLYTYVKYFLJZEN-FZDIXFNVSA-N	1	0	371.481	1.680	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)[C@H]1C	ZINC001179685647	964943975	/nfs/dbraw/zinc/94/39/75/964943975.db2.gz	GWVWQOOFNGQBMS-FFGOWVMKSA-N	1	0	367.493	1.735	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C2	ZINC001110392212	965147127	/nfs/dbraw/zinc/14/71/27/965147127.db2.gz	DBLCNUAMPZHISU-BDXSIMOUSA-N	1	0	360.502	1.003	20	30		FDEDRO
CC(C)[NH+]1CCN(CC(=O)N2CCC[C@H](Oc3ccc(C#N)cc3)C2)CC1	ZINC001180347235	965239834	/nfs/dbraw/zinc/23/98/34/965239834.db2.gz	XKTZHMNDNQCCDL-FQEVSTJZSA-N	1	0	370.497	1.954	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@H+](Cc3cccc4c3OCCO4)C[C@H]21	ZINC001187320040	965240367	/nfs/dbraw/zinc/24/03/67/965240367.db2.gz	HTTFEDWMWHEMFD-DOTOQJQBSA-N	1	0	358.438	1.693	20	30		FDEDRO
N#Cc1ccnc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)c1[N+](=O)[O-]	ZINC001187437726	965344483	/nfs/dbraw/zinc/34/44/83/965344483.db2.gz	LMLNHNXODHOFBU-HNNXBMFYSA-N	1	0	360.418	1.070	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@H+](CCCO[C@@H]4CCOC4)C[C@H]32)c1	ZINC001187466350	965381226	/nfs/dbraw/zinc/38/12/26/965381226.db2.gz	ZBKYLXZHAZRSKT-LZLYRXPVSA-N	1	0	358.442	1.228	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21	ZINC001187473204	965385204	/nfs/dbraw/zinc/38/52/04/965385204.db2.gz	VPDSEVAAUOKKQU-YESZJQIVSA-N	1	0	359.474	1.281	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3ccoc3)[C@@H]2C1	ZINC001187496444	965442456	/nfs/dbraw/zinc/44/24/56/965442456.db2.gz	ZLZZQZBKOTYVRN-RBUKOAKNSA-N	1	0	371.481	1.946	20	30		FDEDRO
C#CCCCCC(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]21	ZINC001187591449	965510322	/nfs/dbraw/zinc/51/03/22/965510322.db2.gz	MIKFNJDGHVPHGU-DLBZAZTESA-N	1	0	362.518	1.810	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+]([C@H](CC)c3ccc(F)cc3)C[C@H]21	ZINC001187598166	965516350	/nfs/dbraw/zinc/51/63/50/965516350.db2.gz	GNSHLOZFTKXWCC-QXAKKESOSA-N	1	0	371.456	1.949	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](CCOc3cccc(C)c3)C[C@H]21	ZINC001187598539	965521597	/nfs/dbraw/zinc/52/15/97/965521597.db2.gz	RWJWJXCANNLGMH-PKOBYXMFSA-N	1	0	369.465	1.046	20	30		FDEDRO
CC(C)(C)OC(=O)N[C@@H](CC#N)C(=O)N1CCCc2ccc(C[NH3+])nc21	ZINC001180785047	965552712	/nfs/dbraw/zinc/55/27/12/965552712.db2.gz	SLANOACSGIXDDG-AWEZNQCLSA-N	1	0	359.430	1.626	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCc4ccccc43)C[C@H]21	ZINC001187605575	965554578	/nfs/dbraw/zinc/55/45/78/965554578.db2.gz	LRDWBFJZXVMQCG-QXAKKESOSA-N	1	0	351.450	1.346	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3=CCOCC3)[C@@H]2C1	ZINC001187639800	965589220	/nfs/dbraw/zinc/58/92/20/965589220.db2.gz	ROZZCOGZDHUZLV-ZWKOTPCHSA-N	1	0	359.470	1.066	20	30		FDEDRO
Cc1c[nH+]ccc1N1CCN(C(=O)[C@H](CC#N)NC(=O)OC(C)(C)C)CC1	ZINC001180781520	965592815	/nfs/dbraw/zinc/59/28/15/965592815.db2.gz	QCNLDBJRTSFOLP-HNNXBMFYSA-N	1	0	373.457	1.846	20	30		FDEDRO
C#CCNC(=O)[C@H]1CSC2(CC[NH+](Cc3ccccc3)CC2)N1C(C)=O	ZINC001180821851	965595510	/nfs/dbraw/zinc/59/55/10/965595510.db2.gz	IOKQKNFQDAHCFF-GOSISDBHSA-N	1	0	371.506	1.692	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc4c(c3)nnn4C)C[C@H]21	ZINC001187728986	965670837	/nfs/dbraw/zinc/67/08/37/965670837.db2.gz	HPFJLNLGUOUVMN-QFBILLFUSA-N	1	0	351.454	1.805	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@H]21	ZINC001187858142	965799618	/nfs/dbraw/zinc/79/96/18/965799618.db2.gz	YEFZTJVOBOHFFR-CGTJXYLNSA-N	1	0	357.498	1.722	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@H+](Cc3cccc4c3CCOC4)C[C@H]21	ZINC001187874625	965869944	/nfs/dbraw/zinc/86/99/44/965869944.db2.gz	YWWUUYCBAABMLJ-GHTZIAJQSA-N	1	0	368.477	1.832	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]21	ZINC001187882848	965884690	/nfs/dbraw/zinc/88/46/90/965884690.db2.gz	XVSYOHRKJAOFJI-FGTMMUONSA-N	1	0	363.502	1.203	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCS(=O)(=O)NC)[C@@H]2C1	ZINC001187919322	965902716	/nfs/dbraw/zinc/90/27/16/965902716.db2.gz	DQZCTKDEGJSQAU-JKSUJKDBSA-N	1	0	359.536	1.429	20	30		FDEDRO
CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)CC1	ZINC000775154959	965914104	/nfs/dbraw/zinc/91/41/04/965914104.db2.gz	HVAOYCDSKCMXJH-HUUCEWRRSA-N	1	0	358.442	1.898	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)C(=O)COC)[C@@H]2C1	ZINC001188118711	966038516	/nfs/dbraw/zinc/03/85/16/966038516.db2.gz	MORHQFOUQKQILE-DLBZAZTESA-N	1	0	353.507	1.594	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4cccnc4)c3)[C@@H]2C1	ZINC001188190037	966091060	/nfs/dbraw/zinc/09/10/60/966091060.db2.gz	UTXLAYOVONQEEO-QFBILLFUSA-N	1	0	367.453	1.616	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)CCCn4ccnn4)[C@@H]3C2)cc1	ZINC001188197936	966098423	/nfs/dbraw/zinc/09/84/23/966098423.db2.gz	ORTYKKRGIACVJI-RBUKOAKNSA-N	1	0	364.453	1.663	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3coc(S(N)(=O)=O)c3)[C@@H]2C1	ZINC001188369615	966241095	/nfs/dbraw/zinc/24/10/95/966241095.db2.gz	NHCSKLKUQWOSOH-KCQAQPDRSA-N	1	0	367.471	1.428	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CCOC[C@@H]3CCCO3)[C@@H]2C1	ZINC001188428159	966282633	/nfs/dbraw/zinc/28/26/33/966282633.db2.gz	JRTCXUOVUSXUMV-OKZBNKHCSA-N	1	0	352.475	1.307	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCC(F)F)[C@@H]2C1	ZINC001188577607	966432897	/nfs/dbraw/zinc/43/28/97/966432897.db2.gz	PCZHAZOPMZJGLK-LSDHHAIUSA-N	1	0	355.429	1.765	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CCN(C(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000957632163	1013659442	/nfs/dbraw/zinc/65/94/42/1013659442.db2.gz	FAJQUSBQECNLSW-FUHIMQAGSA-N	1	0	368.437	1.646	20	30		FDEDRO
C[C@H](CC(N)=O)C(=O)N1CC[C@H]2CN(CC#Cc3ccc(F)cc3)C[C@H]21	ZINC001188793833	966556826	/nfs/dbraw/zinc/55/68/26/966556826.db2.gz	LNTHCMNPJMBPRD-UWWQBHOKSA-N	1	0	357.429	1.221	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4cccnc43)[C@@H]2C1	ZINC001188917692	966628778	/nfs/dbraw/zinc/62/87/78/966628778.db2.gz	ILBOSQYFDMCMCJ-GBESFXJTSA-N	1	0	353.466	1.684	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]32)c1	ZINC001189077617	966753450	/nfs/dbraw/zinc/75/34/50/966753450.db2.gz	UWNXWHYUHBIWCU-HHXXYDBFSA-N	1	0	368.481	1.465	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCCCCn3cncn3)C[C@H]21	ZINC001189174170	966831869	/nfs/dbraw/zinc/83/18/69/966831869.db2.gz	DQUOXJZSUZNQRR-MANSERQUSA-N	1	0	373.501	1.572	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn4cccc(OC)c34)[C@@H]2C1	ZINC001189438660	966989948	/nfs/dbraw/zinc/98/99/48/966989948.db2.gz	DZQYNMGMQIXGHP-DOTOQJQBSA-N	1	0	368.437	1.139	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cnn4cc(OC)ccc34)[C@@H]2C1	ZINC001189439839	966991643	/nfs/dbraw/zinc/99/16/43/966991643.db2.gz	YAWKIMWIFIAHTP-HNAYVOBHSA-N	1	0	370.453	1.692	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)CCCn4cncn4)[C@@H]3C2)c1	ZINC001189652547	967163788	/nfs/dbraw/zinc/16/37/88/967163788.db2.gz	IAHSIXKSHKWTFB-RBUKOAKNSA-N	1	0	364.453	1.663	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+][C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852453759	967331620	/nfs/dbraw/zinc/33/16/20/967331620.db2.gz	LYIZWKBURJSSPO-WCQYABFASA-N	1	0	355.360	1.787	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]32)cn1	ZINC001189851365	967352470	/nfs/dbraw/zinc/35/24/70/967352470.db2.gz	IHOHVVBSCVPCFY-YSIASYRMSA-N	1	0	371.481	1.243	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3COc4ccccc4O3)[C@@H]2C1	ZINC001190020122	967469791	/nfs/dbraw/zinc/46/97/91/967469791.db2.gz	UUMZSCSRDDYONR-FCEWJHQRSA-N	1	0	356.422	1.009	20	30		FDEDRO
COc1ccc(N2CC[NH+](C[C@H](O)CN3CC[C@](C)(C#N)C3)CC2)cc1	ZINC000852684017	967528225	/nfs/dbraw/zinc/52/82/25/967528225.db2.gz	ADDDFOBGLQTCBB-AZUAARDMSA-N	1	0	358.486	1.414	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1	ZINC000852700048	967544715	/nfs/dbraw/zinc/54/47/15/967544715.db2.gz	BFZKKVAKXSDNRT-IBGZPJMESA-N	1	0	368.481	1.432	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCC(=O)N3CCOCC3)[C@@H]2C1	ZINC001190071935	967545546	/nfs/dbraw/zinc/54/55/46/967545546.db2.gz	ALIKENXSUCWNIG-OKZBNKHCSA-N	1	0	363.502	1.513	20	30		FDEDRO
CC(C)(C)C(=O)NCC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC001190149213	967562830	/nfs/dbraw/zinc/56/28/30/967562830.db2.gz	USPDNUAQDKXSLI-ZWKOTPCHSA-N	1	0	368.481	1.753	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(-n4cnnn4)c3)[C@@H]2C1	ZINC001190116352	967574564	/nfs/dbraw/zinc/57/45/64/967574564.db2.gz	QGKVNBHCSHCEMN-FUHWJXTLSA-N	1	0	352.442	1.775	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)COc3ccccc3Cl)[C@@H]2C1	ZINC001190125347	967585835	/nfs/dbraw/zinc/58/58/35/967585835.db2.gz	WBMQRSMLVOUJOF-DOTOQJQBSA-N	1	0	362.857	1.901	20	30		FDEDRO
Cc1cc(C(=O)N2CC[C@H]3CN(CC(=O)NCC#N)C[C@H]32)cc(C)c1F	ZINC001190193998	967623344	/nfs/dbraw/zinc/62/33/44/967623344.db2.gz	KXVBNKQWXAPOIG-GOEBONIOSA-N	1	0	358.417	1.229	20	30		FDEDRO
Cc1cccc(C(=O)N2CCCN(C(=O)C#CC3CC[NH2+]CC3)CC2)c1	ZINC000852809551	967623399	/nfs/dbraw/zinc/62/33/99/967623399.db2.gz	HRSPEXBUSGAXQV-UHFFFAOYSA-N	1	0	353.466	1.673	20	30		FDEDRO
C=CC[C@]1(C(=O)N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)CCC[NH2+]1	ZINC000852817022	967629972	/nfs/dbraw/zinc/62/99/72/967629972.db2.gz	MRVATKREJOFRFQ-SUMWQHHRSA-N	1	0	351.472	1.934	20	30		FDEDRO
C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000852818480	967630649	/nfs/dbraw/zinc/63/06/49/967630649.db2.gz	JHRNZHDSRIHEQY-CQSZACIVSA-N	1	0	363.483	1.117	20	30		FDEDRO
COc1cccc(-c2noc([C@@H](C)NC(=O)C#CC3CC[NH2+]CC3)n2)c1	ZINC000852852190	967658213	/nfs/dbraw/zinc/65/82/13/967658213.db2.gz	PZGCTUCGOHWFMV-CYBMUJFWSA-N	1	0	354.410	1.925	20	30		FDEDRO
COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C#CC1CC[NH2+]CC1	ZINC000852857523	967661499	/nfs/dbraw/zinc/66/14/99/967661499.db2.gz	WERUSNFBFZGKJM-UHFFFAOYSA-N	1	0	371.437	1.251	20	30		FDEDRO
Cc1cc(N2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)nc(C(C)C)n1	ZINC000852857495	967661738	/nfs/dbraw/zinc/66/17/38/967661738.db2.gz	VMLJXEHAGJZIBQ-UHFFFAOYSA-N	1	0	355.486	1.560	20	30		FDEDRO
COc1cccc([C@@H](C)N2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)c1	ZINC000852866120	967671242	/nfs/dbraw/zinc/67/12/42/967671242.db2.gz	SGMGONVBEXTWFZ-QGZVFWFLSA-N	1	0	355.482	1.903	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)CS(=O)(=O)NC(C)(C)C)[C@@H]2C1	ZINC001190247896	967694915	/nfs/dbraw/zinc/69/49/15/967694915.db2.gz	ZJKLPVOFFUZLBH-LSDHHAIUSA-N	1	0	357.520	1.203	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc[nH]3)[C@@H]2C1	ZINC001190263728	967702349	/nfs/dbraw/zinc/70/23/49/967702349.db2.gz	ZQJBAUAILXYQRD-FUHWJXTLSA-N	1	0	358.486	1.515	20	30		FDEDRO
C=CCCOCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)Cc3ccccc3)C[C@H]21	ZINC001190425157	967837795	/nfs/dbraw/zinc/83/77/95/967837795.db2.gz	OJCUVXBHUYGICP-SLFFLAALSA-N	1	0	358.482	1.715	20	30		FDEDRO
COCCOCCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001190430989	967843774	/nfs/dbraw/zinc/84/37/74/967843774.db2.gz	SGPRUADKDCUNHC-RBUKOAKNSA-N	1	0	357.454	1.644	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C	ZINC000853123671	967845694	/nfs/dbraw/zinc/84/56/94/967845694.db2.gz	YPHRBTJLHFJLAN-SWKXRBFHSA-N	1	0	352.479	1.182	20	30		FDEDRO
N#Cc1ccc(N2C[C@]3(COCC[N@H+](C[C@@H]4CCOC4)C3)OCC2=O)cc1	ZINC001202487662	967879728	/nfs/dbraw/zinc/87/97/28/967879728.db2.gz	NCIACPNQOQBYOK-FXAWDEMLSA-N	1	0	371.437	1.029	20	30		FDEDRO
N#Cc1ccc(C(=O)N(Cc2ncn3c2C[NH2+]CCC3)c2ncccn2)nc1	ZINC001190589973	967971603	/nfs/dbraw/zinc/97/16/03/967971603.db2.gz	NRFQXDHZYSFJSC-UHFFFAOYSA-N	1	0	374.408	1.280	20	30		FDEDRO
C#CCCN(CCOC)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000853619606	968197785	/nfs/dbraw/zinc/19/77/85/968197785.db2.gz	FZANAPPAXBDJNT-SFHVURJKSA-N	1	0	374.397	1.291	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(C(=O)NCc2ccc(OCC#N)cc2)CCO1	ZINC000853652542	968226131	/nfs/dbraw/zinc/22/61/31/968226131.db2.gz	OXGFLNNZZWIJGN-SFHVURJKSA-N	1	0	360.458	1.841	20	30		FDEDRO
COCC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)C1	ZINC001191422813	968501759	/nfs/dbraw/zinc/50/17/59/968501759.db2.gz	MPWPHPJHJLRJPV-HBMCJLEFSA-N	1	0	370.493	1.959	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c1CCCC3)C2	ZINC001110676684	968560220	/nfs/dbraw/zinc/56/02/20/968560220.db2.gz	LZCXTVGTZDMTKP-LFEHRJTNSA-N	1	0	370.497	1.850	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC1CCCC1)C2	ZINC001110678169	968568814	/nfs/dbraw/zinc/56/88/14/968568814.db2.gz	LKIGRZYEWRSACV-DDBAPUKQSA-N	1	0	361.486	1.053	20	30		FDEDRO
C#C[C@@H](NC(=O)Nc1ccccc1C(=O)N1CCN(C)CC1)[C@@H]1CCCO1	ZINC000775474480	968720590	/nfs/dbraw/zinc/72/05/90/968720590.db2.gz	PBVFRAXLHGAXHQ-AEFFLSMTSA-N	1	0	370.453	1.377	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)/C=C/C(C)(C)C)C1	ZINC001191823499	968799230	/nfs/dbraw/zinc/79/92/30/968799230.db2.gz	NIVGKMSSOKOOJH-LMWDBHBISA-N	1	0	365.518	1.563	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1CN(CCOc2ccc3ccccc3c2)C[C@H]1O	ZINC001191880648	968831880	/nfs/dbraw/zinc/83/18/80/968831880.db2.gz	CRMPZLALSXDXJV-GDIGMMSISA-N	1	0	353.422	1.540	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1CN(CCOc2ccccc2C(F)(F)F)C[C@H]1O	ZINC001191880549	968831914	/nfs/dbraw/zinc/83/19/14/968831914.db2.gz	AYJYCQUUOIVTIX-MRVWCRGKSA-N	1	0	371.359	1.405	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CCCCOc3ccccc3)C[C@H]2O)c1	ZINC001192045800	968922149	/nfs/dbraw/zinc/92/21/49/968922149.db2.gz	KGKBZZQVEMDQTK-RTBURBONSA-N	1	0	368.437	1.520	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@H+](C[C@H](OC)c2ccccc2)C[C@H]1O	ZINC001192054639	968933199	/nfs/dbraw/zinc/93/31/99/968933199.db2.gz	WOTNNOMWVNYRHW-QRVBRYPASA-N	1	0	362.470	1.518	20	30		FDEDRO
CC(C)C[C@H](NC(=O)C#Cc1ccccc1)C(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000854632130	969036950	/nfs/dbraw/zinc/03/69/50/969036950.db2.gz	DPCMQVDIVINZBE-MOPGFXCFSA-N	1	0	355.482	1.732	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1CN([C@@H]2CCCN(c3ccccc3)C2=O)C[C@H]1O	ZINC001192518760	969151503	/nfs/dbraw/zinc/15/15/03/969151503.db2.gz	YMCCKTIBMBCQFW-GUDVDZBRSA-N	1	0	369.465	1.147	20	30		FDEDRO
N#Cc1ccc(C(=O)N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)o1	ZINC001192674778	969225355	/nfs/dbraw/zinc/22/53/55/969225355.db2.gz	CCTFJVPRVFTRLZ-DUVNUKRYSA-N	1	0	353.382	1.213	20	30		FDEDRO
N#Cc1cccc([C@@H](O)C[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)c1	ZINC001192731547	969248525	/nfs/dbraw/zinc/24/85/25/969248525.db2.gz	WRPJAXGKJVBQQQ-IBGZPJMESA-N	1	0	366.421	1.629	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCO[C@H]2CCOC2)[nH]1	ZINC001110450236	969304993	/nfs/dbraw/zinc/30/49/93/969304993.db2.gz	YKKXNQWJHGWAHK-ATLSCFEFSA-N	1	0	358.442	1.417	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2)C[C@H]1O	ZINC001192886018	969348384	/nfs/dbraw/zinc/34/83/84/969348384.db2.gz	KVLXABSZXRZOLZ-RTBURBONSA-N	1	0	358.482	1.685	20	30		FDEDRO
N#CCS(=O)(=O)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1	ZINC001192952191	969371894	/nfs/dbraw/zinc/37/18/94/969371894.db2.gz	SGGULJNGDSQXDY-ZWKOTPCHSA-N	1	0	367.515	1.300	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1O	ZINC001192925185	969383398	/nfs/dbraw/zinc/38/33/98/969383398.db2.gz	WYLGVLDIRAPLFF-KZNAEPCWSA-N	1	0	354.491	1.480	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](OCC)C2CC2)C[C@H]1O	ZINC001192925242	969383635	/nfs/dbraw/zinc/38/36/35/969383635.db2.gz	YFALAAHSMZNXAD-GUDVDZBRSA-N	1	0	368.518	1.726	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](OCC)C2=CCCC2)C1	ZINC001192997077	969397802	/nfs/dbraw/zinc/39/78/02/969397802.db2.gz	KWIRRBRUYHAOPC-KZNAEPCWSA-N	1	0	352.475	1.256	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)N1CCC2(C[C@@H]([N@H+](C)Cc3ccco3)CO2)CC1	ZINC001193118096	969482688	/nfs/dbraw/zinc/48/26/88/969482688.db2.gz	LHQRHGLOJLVCNI-LSDHHAIUSA-N	1	0	367.471	1.577	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@H]1O	ZINC001193232178	969562726	/nfs/dbraw/zinc/56/27/26/969562726.db2.gz	UJJNZPRDZVZUCZ-VAMGGRTRSA-N	1	0	358.482	1.520	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccc(C(F)F)n2)C1	ZINC001193613464	969768139	/nfs/dbraw/zinc/76/81/39/969768139.db2.gz	ZXLUDJYLCFENFR-HUUCEWRRSA-N	1	0	358.433	1.952	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3N(C)C)C[C@H]2O)CCC1	ZINC001193684889	969811755	/nfs/dbraw/zinc/81/17/55/969811755.db2.gz	FBJCFDCFWXEKND-IEBWSBKVSA-N	1	0	355.482	1.608	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](C[C@@H](OC)c3ccccc3)C[C@H]2O)CCC1	ZINC001193684948	969811825	/nfs/dbraw/zinc/81/18/25/969811825.db2.gz	HIWNKBYABSRMHI-GUDVDZBRSA-N	1	0	356.466	1.729	20	30		FDEDRO
CC[C@H](CC(F)F)C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O	ZINC001193718783	969840319	/nfs/dbraw/zinc/84/03/19/969840319.db2.gz	LLDCXWCQBYENPI-BZUAXINKSA-N	1	0	351.397	1.901	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2c(C)csc2=O)C1	ZINC001193806033	969873937	/nfs/dbraw/zinc/87/39/37/969873937.db2.gz	XZWQLODXFLJXMB-HZPDHXFCSA-N	1	0	367.515	1.516	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cncn3)cc2)C1	ZINC001193919443	969925730	/nfs/dbraw/zinc/92/57/30/969925730.db2.gz	XNZPXMQBJHADRE-BMGDILEWSA-N	1	0	355.442	1.397	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3ccc(C)nc32)C1	ZINC001194015226	969956495	/nfs/dbraw/zinc/95/64/95/969956495.db2.gz	GKSQWWDDIFOLRG-QZTJIDSGSA-N	1	0	355.438	1.521	20	30		FDEDRO
N#Cc1cncc(C(=O)N2CCC([NH3+])(C(=O)NCc3ccccc3)CC2)c1	ZINC001194121628	970002625	/nfs/dbraw/zinc/00/26/25/970002625.db2.gz	RBXYZBQDFIWMQA-UHFFFAOYSA-N	1	0	363.421	1.203	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2ccncc2)C1	ZINC001194390911	970153287	/nfs/dbraw/zinc/15/32/87/970153287.db2.gz	GWPVRUOQEWIQAQ-IAOVAPTHSA-N	1	0	355.442	1.601	20	30		FDEDRO
O=S1(=O)CCC(NN=Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1	ZINC000776796196	970178355	/nfs/dbraw/zinc/17/83/55/970178355.db2.gz	AYSPECAGFKTPII-UHFFFAOYSA-N	1	0	365.499	1.662	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)N(C)C(=O)C3)C1	ZINC001194436380	970191487	/nfs/dbraw/zinc/19/14/87/970191487.db2.gz	GAMVIWHXTJOWEU-MZMPZRCHSA-N	1	0	357.454	1.335	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)F)n(C)n2)C1	ZINC001194673983	970312866	/nfs/dbraw/zinc/31/28/66/970312866.db2.gz	ZJNWWQLGIARNID-UKRRQHHQSA-N	1	0	356.417	1.879	20	30		FDEDRO
Cc1csc(CCC(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@H]2O)n1	ZINC001194745903	970352620	/nfs/dbraw/zinc/35/26/20/970352620.db2.gz	NNRWPKDOZWQGSQ-IAGOWNOFSA-N	1	0	370.478	1.617	20	30		FDEDRO
COC(=O)CCN1CC[C@H]([N@H+](C)CCOCc2ccc(C#N)cc2)C1=O	ZINC001194792496	970401693	/nfs/dbraw/zinc/40/16/93/970401693.db2.gz	TYHXZDYZJNKTFW-KRWDZBQOSA-N	1	0	359.426	1.171	20	30		FDEDRO
C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1	ZINC000855494098	970418652	/nfs/dbraw/zinc/41/86/52/970418652.db2.gz	XYKDCFXQXOFLHY-UHFFFAOYSA-N	1	0	372.469	1.251	20	30		FDEDRO
CCOC(=O)CN(CC[NH3+])C(=O)c1ccc(C#CBr)cc1	ZINC001194817966	970442160	/nfs/dbraw/zinc/44/21/60/970442160.db2.gz	PRLHBQQKOYOFRK-UHFFFAOYSA-N	1	0	353.216	1.355	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCC(C)C	ZINC001110464114	970575298	/nfs/dbraw/zinc/57/52/98/970575298.db2.gz	JBQOCVMOCAFKKX-HCXYKTFWSA-N	1	0	350.503	1.935	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(NS(C)(=O)=O)c(F)c1	ZINC001194997675	970599221	/nfs/dbraw/zinc/59/92/21/970599221.db2.gz	ZBXSLQBZVMSGLN-ZDUSSCGKSA-N	1	0	355.435	1.577	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](CCc2ccc(C)cc2)C[C@H]1O	ZINC001195020061	970647453	/nfs/dbraw/zinc/64/74/53/970647453.db2.gz	DXYNRKUCVQSOOJ-SBHAEUEKSA-N	1	0	360.498	1.928	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1	ZINC000855809831	970694960	/nfs/dbraw/zinc/69/49/60/970694960.db2.gz	NBDFBBVBALNMGW-IWHJNQCMSA-N	1	0	360.458	1.426	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C)ccc1OC	ZINC001110466555	970722710	/nfs/dbraw/zinc/72/27/10/970722710.db2.gz	SXKJBTIODAQYLK-KURKYZTESA-N	1	0	369.465	1.365	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)C(C)(C)C)C1	ZINC001195164486	970745564	/nfs/dbraw/zinc/74/55/64/970745564.db2.gz	YLGFUXOMLZQNDA-HZPDHXFCSA-N	1	0	355.523	1.671	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCOc2ccc(F)cc2)C1	ZINC001195172156	970749619	/nfs/dbraw/zinc/74/96/19/970749619.db2.gz	IOINNVMICVTQEG-QZTJIDSGSA-N	1	0	366.433	1.349	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1	ZINC001197983106	972652593	/nfs/dbraw/zinc/65/25/93/972652593.db2.gz	CQLOPYCUHUJAGL-BRSBDYLESA-N	1	0	365.518	1.399	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1c(C)nn(C)c1Cl	ZINC001110500847	972685061	/nfs/dbraw/zinc/68/50/61/972685061.db2.gz	NYPAQSQZJZAOSZ-LJGDNWOOSA-N	1	0	366.893	1.931	20	30		FDEDRO
c1ccc2c(c1)OC[C@@H](CNN=C1CC[NH+](CCN3CCOCC3)CC1)O2	ZINC000863201472	972701109	/nfs/dbraw/zinc/70/11/09/972701109.db2.gz	YFGWHDNNZUJWRY-GOSISDBHSA-N	1	0	374.485	1.200	20	30		FDEDRO
N#Cc1ccc(NC(=S)NCCC[N@H+]2CCC[C@H]2C(N)=O)cc1Cl	ZINC000863212272	972709671	/nfs/dbraw/zinc/70/96/71/972709671.db2.gz	UMWMCMLBNHRVQS-AWEZNQCLSA-N	1	0	365.890	1.838	20	30		FDEDRO
CCCCCCCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1O	ZINC001198088088	972742571	/nfs/dbraw/zinc/74/25/71/972742571.db2.gz	XRJASTJUTHTIQS-GVDBMIGSSA-N	1	0	363.506	1.677	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)CCc1c(C)nc2ncnn2c1C	ZINC000119432573	972852212	/nfs/dbraw/zinc/85/22/12/972852212.db2.gz	IEEUCQVYFZHLEU-CQSZACIVSA-N	1	0	357.458	1.951	20	30		FDEDRO
CCn1c(=O)[nH]c2cc(C(=O)O[C@@H](C)C#CC[NH+](CC)CC)ccc2c1=O	ZINC000119430834	972852246	/nfs/dbraw/zinc/85/22/46/972852246.db2.gz	AFTQVINWIDEJEP-AWEZNQCLSA-N	1	0	371.437	1.600	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)c2ccccc2)C1	ZINC001198248650	972931942	/nfs/dbraw/zinc/93/19/42/972931942.db2.gz	WDOJDOLTMIYBPE-BHIYHBOVSA-N	1	0	362.470	1.171	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC001198251832	972933065	/nfs/dbraw/zinc/93/30/65/972933065.db2.gz	MGYUTJLOZBUHCK-AHIWAGSCSA-N	1	0	366.487	1.428	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccc(C)s2)C1	ZINC001198328020	972991483	/nfs/dbraw/zinc/99/14/83/972991483.db2.gz	JYQHNZCOSRUCAW-NWANDNLSSA-N	1	0	365.499	1.302	20	30		FDEDRO
C[C@H](CCNC(=O)OC(C)(C)C)[NH2+]C[C@H](O)CC1(C#N)CCOCC1	ZINC000863553575	973010880	/nfs/dbraw/zinc/01/08/80/973010880.db2.gz	FNAPXRCCQGLKNO-HUUCEWRRSA-N	1	0	355.479	1.951	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1	ZINC000645119881	1014075483	/nfs/dbraw/zinc/07/54/83/1014075483.db2.gz	VNNFHIXLKSTUBT-AEFFLSMTSA-N	1	0	359.470	1.906	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1	ZINC000645153517	1014086930	/nfs/dbraw/zinc/08/69/30/1014086930.db2.gz	CNCDMBRMXZBNQB-ABSDTBQOSA-N	1	0	373.497	1.869	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c3ccccc3oc2=O)C1	ZINC001198520018	973199960	/nfs/dbraw/zinc/19/99/60/973199960.db2.gz	AOGKAPOYENQRJV-SQWLQELKSA-N	1	0	359.426	1.111	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)c2cccs2)C1	ZINC001198570583	973260805	/nfs/dbraw/zinc/26/08/05/973260805.db2.gz	CUDXQGKQTKCBIL-RRFJBIMHSA-N	1	0	365.499	1.384	20	30		FDEDRO
COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(F)cc(C#N)c1	ZINC000867281853	973296882	/nfs/dbraw/zinc/29/68/82/973296882.db2.gz	JUVUSDNVYUUYQO-UHFFFAOYSA-N	1	0	369.462	1.819	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCc2nc(C)no2)C1	ZINC001198638979	973343584	/nfs/dbraw/zinc/34/35/84/973343584.db2.gz	PFTZQZPYTRNVDQ-HZPDHXFCSA-N	1	0	350.463	1.608	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)cc1	ZINC000794590212	973407122	/nfs/dbraw/zinc/40/71/22/973407122.db2.gz	CEHSKUQKNBTHDZ-RTBURBONSA-N	1	0	351.406	1.797	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(Cn2nc(CC#N)n(C)c2=S)C1	ZINC000794637486	973472364	/nfs/dbraw/zinc/47/23/64/973472364.db2.gz	UKIXXLBBROXMJP-AWEZNQCLSA-N	1	0	352.508	1.407	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC=C)Cc2ccccc2)C1	ZINC001198888583	973660490	/nfs/dbraw/zinc/66/04/90/973660490.db2.gz	HHUSPZKCMFYRFN-VAMGGRTRSA-N	1	0	358.482	1.785	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C1	ZINC001198918134	973682233	/nfs/dbraw/zinc/68/22/33/973682233.db2.gz	SKXKWLZCVDWETB-HPBDAGMYSA-N	1	0	355.523	1.669	20	30		FDEDRO
CC1(C)CO[C@H](C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC#Cc3ccccc3)C2)C1	ZINC001198933752	973706574	/nfs/dbraw/zinc/70/65/74/973706574.db2.gz	IEQHBRJKGBSYAD-IPMKNSEASA-N	1	0	356.466	1.405	20	30		FDEDRO
O=C(CC#Cc1ccccc1)N[C@@H]1CN(CCOCC(F)(F)F)C[C@H]1O	ZINC001198939707	973713282	/nfs/dbraw/zinc/71/32/82/973713282.db2.gz	DEYNBDTZYYEXHA-HZPDHXFCSA-N	1	0	370.371	1.168	20	30		FDEDRO
C=C[C@H](C(=O)N[C@@H]1CN(Cc2cccnc2OC)C[C@H]1O)c1ccccc1	ZINC001198950071	973790241	/nfs/dbraw/zinc/79/02/41/973790241.db2.gz	JHHVRILTRYBDMB-IPMKNSEASA-N	1	0	367.449	1.721	20	30		FDEDRO
C=CCN(CCC#N)C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000794735147	973795468	/nfs/dbraw/zinc/79/54/68/973795468.db2.gz	PPUJZQSYYWFPDM-IBGZPJMESA-N	1	0	358.486	1.580	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)s1	ZINC001199023872	973804584	/nfs/dbraw/zinc/80/45/84/973804584.db2.gz	RFFAAMKRMCYYJO-IAGOWNOFSA-N	1	0	362.499	1.157	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@H+](CC/C=C/CCC)C[C@H]1O	ZINC001199081724	973903065	/nfs/dbraw/zinc/90/30/65/973903065.db2.gz	VUNYZKFEHBFEIV-GUFYHEMZSA-N	1	0	366.506	1.158	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CN1CCCCC(=O)C1=O	ZINC000865039664	974032225	/nfs/dbraw/zinc/03/22/25/974032225.db2.gz	BAQUSWYQLBKQBZ-UHFFFAOYSA-N	1	0	370.453	1.030	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(C)cc1C	ZINC000794815158	974087179	/nfs/dbraw/zinc/08/71/79/974087179.db2.gz	GMRSWGAVMXXDRO-ZDUSSCGKSA-N	1	0	360.501	1.202	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CC(C)(C)CO3)C[C@H]2O)CCCCC1	ZINC001199277960	974159300	/nfs/dbraw/zinc/15/93/00/974159300.db2.gz	JADJCUVKQWKXBF-RCCFBDPRSA-N	1	0	362.514	1.937	20	30		FDEDRO
N#Cc1ccccc1CN1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1	ZINC001199369954	974222323	/nfs/dbraw/zinc/22/23/23/974222323.db2.gz	DNVMZRAQNRVJOZ-WOJBJXKFSA-N	1	0	370.497	1.486	20	30		FDEDRO
C=CCn1c(SCC(=O)NC2CC[NH+](C)CC2)nnc1-c1ccccn1	ZINC000865360042	974255455	/nfs/dbraw/zinc/25/54/55/974255455.db2.gz	LJBDKHJHOCIATP-UHFFFAOYSA-N	1	0	372.498	1.829	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N(C)C(C)C)cc2)C1	ZINC001199459981	974275972	/nfs/dbraw/zinc/27/59/72/974275972.db2.gz	YTJIRAHPODVFIB-RTBURBONSA-N	1	0	361.486	1.509	20	30		FDEDRO
N#Cc1cnc(C(=O)N(c2ncccc2F)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)cn1	ZINC001199664700	974450064	/nfs/dbraw/zinc/45/00/64/974450064.db2.gz	MGCNXCSIIASNHG-ACJLOTCBSA-N	1	0	368.372	1.050	20	30		FDEDRO
C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)c3ccc(C#N)[nH]3)cc2)CC1	ZINC001199682814	974462173	/nfs/dbraw/zinc/46/21/73/974462173.db2.gz	LILPOCMSHWVEFW-WLYUNCDWSA-N	1	0	365.437	1.957	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)COc2ccc(Br)cn2)CC1	ZINC000866016165	974623875	/nfs/dbraw/zinc/62/38/75/974623875.db2.gz	ZKFMKGJPWIOWQA-UHFFFAOYSA-N	1	0	366.259	1.827	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cc(C#N)ccc1F	ZINC001110546345	974639191	/nfs/dbraw/zinc/63/91/91/974639191.db2.gz	UPJBBWGCTVIALT-AZFSHXRASA-N	1	0	355.413	1.957	20	30		FDEDRO
CCOC(=O)CCNC(=S)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC001200176463	974705565	/nfs/dbraw/zinc/70/55/65/974705565.db2.gz	YAVLRYWLWJLAOK-UHFFFAOYSA-N	1	0	374.510	1.940	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOc1cccc(OC)c1	ZINC001110550201	974731453	/nfs/dbraw/zinc/73/14/53/974731453.db2.gz	GJWZCSHFZNQRLR-AHRSYUTCSA-N	1	0	372.465	1.835	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](O)COC)cc1	ZINC001110553272	974767180	/nfs/dbraw/zinc/76/71/80/974767180.db2.gz	GUHIHLDFWOBKDN-BWPNAZKDSA-N	1	0	372.465	1.431	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CO[C@@H]2CCOC2)C3)c1	ZINC001110555042	974850391	/nfs/dbraw/zinc/85/03/91/974850391.db2.gz	TXYGZMPAYUHCQR-MKXGPGLRSA-N	1	0	355.438	1.585	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000776099247	974855841	/nfs/dbraw/zinc/85/58/41/974855841.db2.gz	XCONYWBEQVIXCN-OAHLLOKOSA-N	1	0	358.442	1.408	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)CCCO1	ZINC001201021484	974946194	/nfs/dbraw/zinc/94/61/94/974946194.db2.gz	ATZPRTNRCYIQAX-AQNXPRMDSA-N	1	0	356.466	1.617	20	30		FDEDRO
CN(C)c1cc[nH+]cc1C=NNC(=S)NCc1ccc2c(c1)OCO2	ZINC000776178686	975033672	/nfs/dbraw/zinc/03/36/72/975033672.db2.gz	BNKPQJFAYCNLAK-UHFFFAOYSA-N	1	0	357.439	1.875	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CCCCCOC)C1	ZINC001201622008	975100830	/nfs/dbraw/zinc/10/08/30/975100830.db2.gz	SEAZMJKBRVZIKY-QYZOEREBSA-N	1	0	368.518	1.991	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1c(C)nn(C)c1C)C2	ZINC001110570492	975158616	/nfs/dbraw/zinc/15/86/16/975158616.db2.gz	MNIIHZGSMRXVIU-ZACQAIPSSA-N	1	0	362.474	1.340	20	30		FDEDRO
Cc1cc(Cl)cc(C#N)c1OS(=O)(=O)CCCN1CC[NH+](C)CC1	ZINC000867422979	975224926	/nfs/dbraw/zinc/22/49/26/975224926.db2.gz	YFNAECXZOPCCNY-UHFFFAOYSA-N	1	0	371.890	1.866	20	30		FDEDRO
C#C[C@@H]1CCCN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1	ZINC000847332420	975483809	/nfs/dbraw/zinc/48/38/09/975483809.db2.gz	OHOWOEZIZBRHPY-MRXNPFEDSA-N	1	0	362.518	1.668	20	30		FDEDRO
CC(=O)NCC1CCC([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000866346671	975565121	/nfs/dbraw/zinc/56/51/21/975565121.db2.gz	NQBIYKGPEUFCHC-UUKMXZOPSA-N	1	0	368.481	1.944	20	30		FDEDRO
CCn1[nH]c(C)nc1=NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000888525444	975576072	/nfs/dbraw/zinc/57/60/72/975576072.db2.gz	ZGWITJUUTCJALU-UHFFFAOYSA-N	1	0	355.446	1.496	20	30		FDEDRO
N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@]12COCCN1C(=O)COC2	ZINC000866552733	975778965	/nfs/dbraw/zinc/77/89/65/975778965.db2.gz	IQTVZQNOSYJWMV-QUCCMNQESA-N	1	0	355.438	1.543	20	30		FDEDRO
C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@]3(C#N)CCCOC3)nc2)CC1	ZINC000866673102	975897246	/nfs/dbraw/zinc/89/72/46/975897246.db2.gz	WLGPQXTXNKKUAO-LJQANCHMSA-N	1	0	357.458	1.871	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)OCC[C@@H]2CC[N@@H+](C)C2)c1	ZINC000847829496	976076435	/nfs/dbraw/zinc/07/64/35/976076435.db2.gz	KJYRJHQXOOLLDN-AWEZNQCLSA-N	1	0	352.456	1.650	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C)C2CC[NH2+]CC2)c1	ZINC000866812220	976087728	/nfs/dbraw/zinc/08/77/28/976087728.db2.gz	BMDAKVSYVFAEBV-ZDUSSCGKSA-N	1	0	351.472	1.269	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)C1	ZINC000867629010	976537708	/nfs/dbraw/zinc/53/77/08/976537708.db2.gz	NQQFFGKUEATRLU-QGZVFWFLSA-N	1	0	362.518	1.040	20	30		FDEDRO
C[NH+]1CCC(CNS(=O)(=O)c2cccnc2C#N)(c2ccccc2)CC1	ZINC000867705636	976686850	/nfs/dbraw/zinc/68/68/50/976686850.db2.gz	IVAJBFWIRALSGS-UHFFFAOYSA-N	1	0	370.478	1.895	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NCC1(c2ccccc2)CC[NH+](C)CC1	ZINC000867706007	976688761	/nfs/dbraw/zinc/68/87/61/976688761.db2.gz	OXCKRGYGQGURRM-MRXNPFEDSA-N	1	0	364.515	1.718	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1	ZINC000848409628	976722313	/nfs/dbraw/zinc/72/23/13/976722313.db2.gz	ZLRPRBJQFZODKB-AWEZNQCLSA-N	1	0	363.849	1.626	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CN1CCCC1=O	ZINC001110603964	976899128	/nfs/dbraw/zinc/89/91/28/976899128.db2.gz	XIQLRGPSUHIVBW-VQHPVUNQSA-N	1	0	363.502	1.294	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000848774206	977083425	/nfs/dbraw/zinc/08/34/25/977083425.db2.gz	KMJXWOIZJZKKOQ-HOCLYGCPSA-N	1	0	359.426	1.452	20	30		FDEDRO
COC(=O)[C@@H](NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)C1CCCCC1	ZINC000867927506	977100309	/nfs/dbraw/zinc/10/03/09/977100309.db2.gz	HRAJLAYAJZNPFW-ZWKOTPCHSA-N	1	0	355.438	1.983	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000867928133	977101735	/nfs/dbraw/zinc/10/17/35/977101735.db2.gz	WLSQNBNCPUQAGQ-RYRKJORJSA-N	1	0	354.454	1.508	20	30		FDEDRO
CN(C)C(=O)c1ccc(CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)cc1	ZINC000867953855	977135430	/nfs/dbraw/zinc/13/54/30/977135430.db2.gz	GURKVXZNDUHRJE-IBGZPJMESA-N	1	0	362.433	1.763	20	30		FDEDRO
N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1	ZINC000867964874	977149506	/nfs/dbraw/zinc/14/95/06/977149506.db2.gz	URXVFKUYTQZGNI-IBGZPJMESA-N	1	0	362.437	1.188	20	30		FDEDRO
COCCN(Cc1cccnc1)C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000867978037	977161018	/nfs/dbraw/zinc/16/10/18/977161018.db2.gz	UBARKMUPGDLALK-LJQANCHMSA-N	1	0	350.422	1.815	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@@H]1CC2(CO1)CCOCC2	ZINC000867993466	977177715	/nfs/dbraw/zinc/17/77/15/977177715.db2.gz	UEALUBRTFSRXQU-WMZOPIPTSA-N	1	0	355.438	1.447	20	30		FDEDRO
Cc1cccc(CN2CCO[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C2)c1	ZINC000867998679	977183590	/nfs/dbraw/zinc/18/35/90/977183590.db2.gz	YXUPXGACIAMHPO-RBUKOAKNSA-N	1	0	358.486	1.723	20	30		FDEDRO
C[NH+]=C(NCc1ccco1)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	ZINC000849045215	977292723	/nfs/dbraw/zinc/29/27/23/977292723.db2.gz	UUSZVUBACIVKLR-INIZCTEOSA-N	1	0	369.469	1.847	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCc3ccc(C#N)cn3)=[NH+]C[C@@H]2C1	ZINC000849078185	977305629	/nfs/dbraw/zinc/30/56/29/977305629.db2.gz	XGCIKMACITYHRW-OAHLLOKOSA-N	1	0	356.430	1.334	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1	ZINC000849078841	977306541	/nfs/dbraw/zinc/30/65/41/977306541.db2.gz	DIJZNUQLDZVYKP-UHFFFAOYSA-N	1	0	354.451	1.073	20	30		FDEDRO
CN(CCc1cccc(C#N)c1)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1	ZINC000868167453	977331177	/nfs/dbraw/zinc/33/11/77/977331177.db2.gz	RCJGSDUHMUHTLQ-UHFFFAOYSA-N	1	0	365.441	1.464	20	30		FDEDRO
CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]CCc1ccc(C#N)cc1	ZINC000849328020	977429940	/nfs/dbraw/zinc/42/99/40/977429940.db2.gz	VVGSEDAEKCHCHK-UHFFFAOYSA-N	1	0	352.456	1.447	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@]23OCCC[C@H]2C3(F)F)nc1	ZINC000849330103	977430982	/nfs/dbraw/zinc/43/09/82/977430982.db2.gz	JATSWCQFKHYWDS-OCCSQVGLSA-N	1	0	357.382	1.131	20	30		FDEDRO
C#CCOc1ccc(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1	ZINC000108521722	977461731	/nfs/dbraw/zinc/46/17/31/977461731.db2.gz	CLEZIGLGEAUXHJ-UHFFFAOYSA-N	1	0	370.453	1.471	20	30		FDEDRO
C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C1	ZINC000868367985	977547167	/nfs/dbraw/zinc/54/71/67/977547167.db2.gz	ZQYHNCDYABJNEL-OAHLLOKOSA-N	1	0	359.449	1.871	20	30		FDEDRO
Cc1cc(NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)n(CCC#N)n1	ZINC000849508267	977702900	/nfs/dbraw/zinc/70/29/00/977702900.db2.gz	UAYCQYIJKBXSGW-JKSUJKDBSA-N	1	0	355.446	1.513	20	30		FDEDRO
C#CCCN1CCN(C(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)CC1	ZINC000849516227	977708499	/nfs/dbraw/zinc/70/84/99/977708499.db2.gz	HCAOPXRALPBAOD-UXHICEINSA-N	1	0	371.529	1.402	20	30		FDEDRO
Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2ccc(C#N)c(F)c2)cn1	ZINC000849599866	977821314	/nfs/dbraw/zinc/82/13/14/977821314.db2.gz	DGUQRJGABAMHLG-DLBZAZTESA-N	1	0	355.417	1.783	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1	ZINC000849603453	977830088	/nfs/dbraw/zinc/83/00/88/977830088.db2.gz	FJBZGEUVLFAPLN-NQYYFHDYSA-N	1	0	360.502	1.941	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)OCC	ZINC001110616711	978037708	/nfs/dbraw/zinc/03/77/08/978037708.db2.gz	OOPBJXBMCKWCRC-WCXIOVBPSA-N	1	0	364.490	1.104	20	30		FDEDRO
CON(C)C(=O)Cn1c2c(cc(C#N)c1=O)C[N@@H+](Cc1ccccc1)CC2	ZINC000850003032	978096654	/nfs/dbraw/zinc/09/66/54/978096654.db2.gz	OGWDKPPOLUGXRK-UHFFFAOYSA-N	1	0	366.421	1.298	20	30		FDEDRO
C=CCN(C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[C@@H](C)COC	ZINC000850586174	978448203	/nfs/dbraw/zinc/44/82/03/978448203.db2.gz	NAPQTGYYLCKACE-INIZCTEOSA-N	1	0	374.485	1.426	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN(C)C(=O)COC)C2	ZINC001110623487	978583509	/nfs/dbraw/zinc/58/35/09/978583509.db2.gz	LFLXBMHOAGTHPJ-ZACQAIPSSA-N	1	0	351.491	1.559	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1	ZINC000850831562	978688656	/nfs/dbraw/zinc/68/86/56/978688656.db2.gz	YGIMHOWADAMJGW-KRWDZBQOSA-N	1	0	369.465	1.875	20	30		FDEDRO
N#C[C@H]1CN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CCN1C1CC1	ZINC000851672778	978992137	/nfs/dbraw/zinc/99/21/37/978992137.db2.gz	GBCKGVZXIWDOHT-IPMKNSEASA-N	1	0	353.470	1.514	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CCCCC1	ZINC000851691654	979001165	/nfs/dbraw/zinc/00/11/65/979001165.db2.gz	QARQWUYKVLJYDF-DLBZAZTESA-N	1	0	354.454	1.530	20	30		FDEDRO
COc1cccc2c1CC[C@]2(CO)[NH2+]CC(=O)NC1(C#N)CCCCC1	ZINC000880379298	979143805	/nfs/dbraw/zinc/14/38/05/979143805.db2.gz	XPZPQZFCOVMMCZ-HXUWFJFHSA-N	1	0	357.454	1.761	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]3CCNC(=O)[C@H]32)c(OC)c1	ZINC000880530617	979277465	/nfs/dbraw/zinc/27/74/65/979277465.db2.gz	HMUYNARWPNFPGJ-HLIPFELVSA-N	1	0	374.481	1.764	20	30		FDEDRO
C#C[C@](C)(CC)[NH2+]CC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1	ZINC000852099134	979350009	/nfs/dbraw/zinc/35/00/09/979350009.db2.gz	FKICRYHNKFZLDX-HXUWFJFHSA-N	1	0	357.502	1.949	20	30		FDEDRO
C#C[C@@](C)(CC)[NH2+][C@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1	ZINC000852100958	979350728	/nfs/dbraw/zinc/35/07/28/979350728.db2.gz	LQOZVDDHOHRWPF-DYVFJYSZSA-N	1	0	351.472	1.655	20	30		FDEDRO
Cc1cccc([C@@H](O)CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)c1	ZINC000128870044	979743816	/nfs/dbraw/zinc/74/38/16/979743816.db2.gz	NCHRHLOOQOKYGR-IRXDYDNUSA-N	1	0	374.485	1.909	20	30		FDEDRO
Cc1cccc([C@@H](O)CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)c1	ZINC000128876236	979744904	/nfs/dbraw/zinc/74/49/04/979744904.db2.gz	XHOOCRLGMQHZPX-INIZCTEOSA-N	1	0	362.474	1.896	20	30		FDEDRO
Cc1nc(C#N)cc(N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)n1	ZINC000882134662	980441398	/nfs/dbraw/zinc/44/13/98/980441398.db2.gz	LLNMFLVZEBVCMF-KRWDZBQOSA-N	1	0	352.442	1.358	20	30		FDEDRO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1ncc(C#N)cc1Br	ZINC000882517580	980695397	/nfs/dbraw/zinc/69/53/97/980695397.db2.gz	STDKXMJYTMMEAM-SNVBAGLBSA-N	1	0	352.236	1.272	20	30		FDEDRO
C#CCC1(O)CCN(c2cc(N3CCC(O)(CC#C)CC3)[nH+]c(C)n2)CC1	ZINC000882969830	981844946	/nfs/dbraw/zinc/84/49/46/981844946.db2.gz	GZZYAYCGJGHNEQ-UHFFFAOYSA-N	1	0	368.481	1.494	20	30		FDEDRO
N#Cc1sc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)nc1Cl	ZINC000882987604	981863512	/nfs/dbraw/zinc/86/35/12/981863512.db2.gz	JTHPEHKHPJSMHM-LBPRGKRZSA-N	1	0	355.895	1.877	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1	ZINC000858153593	981867756	/nfs/dbraw/zinc/86/77/56/981867756.db2.gz	PIEQOCXEONCKGZ-IBGZPJMESA-N	1	0	372.513	1.845	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cccc(C)c2)C[C@H]1C	ZINC000958322795	1014776276	/nfs/dbraw/zinc/77/62/76/1014776276.db2.gz	WDUHAZCQRLMDLC-RLLQIKCJSA-N	1	0	367.493	1.598	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)[nH]cc1NC(C)=O)C2	ZINC001110746401	982031887	/nfs/dbraw/zinc/03/18/87/982031887.db2.gz	LRNKIBVNQKJLES-INMHGKMJSA-N	1	0	360.458	1.819	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2ccnc(-c3ccccn3)n2)CC1	ZINC000883343598	982086701	/nfs/dbraw/zinc/08/67/01/982086701.db2.gz	SFZSRBQHTWXXTJ-UHFFFAOYSA-N	1	0	352.442	1.988	20	30		FDEDRO
C=CCC[C@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1)[C@H]1CCCO1	ZINC000883371343	982099590	/nfs/dbraw/zinc/09/95/90/982099590.db2.gz	HDWRWSALVASVRT-HSALFYBXSA-N	1	0	351.535	1.886	20	30		FDEDRO
C=C(C)C[C@H](CO)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1	ZINC000883400565	982114215	/nfs/dbraw/zinc/11/42/15/982114215.db2.gz	PWRIKPMAIONVHW-LLVKDONJSA-N	1	0	363.277	1.513	20	30		FDEDRO
N#CCCn1cc(C[NH2+][C@@H]2CC(=O)N(CC3CC3)C2)c(-c2ccncc2)n1	ZINC000883403000	982115076	/nfs/dbraw/zinc/11/50/76/982115076.db2.gz	HNXAZEHBJGKOBC-GOSISDBHSA-N	1	0	364.453	1.959	20	30		FDEDRO
N#CCc1cccc(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)n1	ZINC000883587657	982287995	/nfs/dbraw/zinc/28/79/95/982287995.db2.gz	OJJIIPDUBXRLSG-GFCCVEGCSA-N	1	0	356.352	1.105	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1C1CC1	ZINC000883610234	982307512	/nfs/dbraw/zinc/30/75/12/982307512.db2.gz	QLJXXSAVHZLKNX-VNQPRFMTSA-N	1	0	352.438	1.878	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)c1	ZINC000883623072	982319814	/nfs/dbraw/zinc/31/98/14/982319814.db2.gz	JCSCNGIBEOMYDA-UHFFFAOYSA-N	1	0	370.434	1.137	20	30		FDEDRO
CC(C)CNC(=O)C1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1	ZINC000859058422	982491331	/nfs/dbraw/zinc/49/13/31/982491331.db2.gz	VUNFZQKCHRVCBG-KRWDZBQOSA-N	1	0	351.491	1.542	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(S(N)(=O)=O)o1)C2	ZINC001110765656	982496870	/nfs/dbraw/zinc/49/68/70/982496870.db2.gz	KKZGUNJSQXNNEV-UPJWGTAASA-N	1	0	353.444	1.228	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)NCCC(C)(C)C)CC1	ZINC001202559956	982560461	/nfs/dbraw/zinc/56/04/61/982560461.db2.gz	VKWLIUGGYUYUFM-SJORKVTESA-N	1	0	365.518	1.711	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]C[C@H](O)COCC(C)C)CC1	ZINC001202560055	982560472	/nfs/dbraw/zinc/56/04/72/982560472.db2.gz	ZPTRNKLZWDQHJR-KSZLIROESA-N	1	0	354.491	1.192	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)C[C@H](Cc1ccc(F)cc1)OC	ZINC000859172919	982597336	/nfs/dbraw/zinc/59/73/36/982597336.db2.gz	SPNJIDUKPJZRJT-KRWDZBQOSA-N	1	0	356.463	1.258	20	30		FDEDRO
CN(CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccc(C[NH+](C)C)cc1	ZINC000859213689	982623150	/nfs/dbraw/zinc/62/31/50/982623150.db2.gz	ZEFHQOFINKSPDT-UHFFFAOYSA-N	1	0	372.494	1.921	20	30		FDEDRO
COc1ccc(OC)c2c1CN(C(=O)C1CC3(C1)C[NH2+]C[C@@H]3C#N)C[C@@H]2O	ZINC000884060908	982792099	/nfs/dbraw/zinc/79/20/99/982792099.db2.gz	OVAQKNXVVZXVMK-PQNMFCCASA-N	1	0	371.437	1.219	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N(Cc1ccc(C(N)=O)cc1)C1CC1)C2	ZINC000884086470	982844604	/nfs/dbraw/zinc/84/46/04/982844604.db2.gz	YRANQAIQOGUAIS-NGEICVOHSA-N	1	0	352.438	1.416	20	30		FDEDRO
C[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccc2c(c1)CCC(=O)N2	ZINC000884088387	982848447	/nfs/dbraw/zinc/84/84/47/982848447.db2.gz	IOGXLHJNIPQOFG-QIROLPSPSA-N	1	0	352.438	1.888	20	30		FDEDRO
C[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccc(N2CCOC2=O)cc1	ZINC000884109009	982879811	/nfs/dbraw/zinc/87/98/11/982879811.db2.gz	SEKGTBSZAUTNSV-IRDXTQHGSA-N	1	0	368.437	1.960	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1	ZINC000133765501	982905699	/nfs/dbraw/zinc/90/56/99/982905699.db2.gz	LKYYTKJCJGVYPN-KRWDZBQOSA-N	1	0	356.470	1.884	20	30		FDEDRO
COC(=O)CC[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccccc1	ZINC000884128555	982910249	/nfs/dbraw/zinc/91/02/49/982910249.db2.gz	HCBSCVLMTDRGMF-MUZJZNNISA-N	1	0	355.438	1.936	20	30		FDEDRO
COC(=O)c1cn([C@@H]2CCN([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)nn1	ZINC000331605190	982915422	/nfs/dbraw/zinc/91/54/22/982915422.db2.gz	VESMYKDXJUIJRZ-ZIAGYGMSSA-N	1	0	374.445	1.043	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCN(c3ccccc3F)C1=O)C2	ZINC000884137176	982919452	/nfs/dbraw/zinc/91/94/52/982919452.db2.gz	GEZGPJYVLGFLOP-GHGJTTARSA-N	1	0	356.401	1.187	20	30		FDEDRO
CN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[C@@H]1CCCN(c2ccccc2)C1=O	ZINC000884143407	982924532	/nfs/dbraw/zinc/92/45/32/982924532.db2.gz	HIVNLBMPGUYVDL-WJWCEJSTSA-N	1	0	366.465	1.780	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)NCCCN2C(=O)COc3ccccc32)C1	ZINC000884172766	982946512	/nfs/dbraw/zinc/94/65/12/982946512.db2.gz	DKTWBHFNHWGEFT-INIZCTEOSA-N	1	0	370.453	1.199	20	30		FDEDRO
Cc1nccn1-c1ccc(CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cn1	ZINC000884187784	982964124	/nfs/dbraw/zinc/96/41/24/982964124.db2.gz	PDUUEZULIBCFQV-WUJZJPHMSA-N	1	0	350.426	1.331	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2CCN([C@@H](C#N)c3ccccc3)CC2)CC1	ZINC000331964883	982968960	/nfs/dbraw/zinc/96/89/60/982968960.db2.gz	KJHAQRUJHHTIJS-FQEVSTJZSA-N	1	0	369.513	1.469	20	30		FDEDRO
O=C(OCC#CCN1C(=O)c2ccccc2C1=O)C1CC[NH+](C2CC2)CC1	ZINC000859683474	982973236	/nfs/dbraw/zinc/97/32/36/982973236.db2.gz	RCZPEBSPQCRODJ-UHFFFAOYSA-N	1	0	366.417	1.704	20	30		FDEDRO
CC(C)(C(=O)OCC#CCN1C(=O)c2ccccc2C1=O)[NH+]1CCCC1	ZINC000859693027	982977048	/nfs/dbraw/zinc/97/70/48/982977048.db2.gz	RHZVNFNSDYFGMV-UHFFFAOYSA-N	1	0	354.406	1.704	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NCC1CC[NH+](Cc2cccs2)CC1	ZINC000884203086	982978375	/nfs/dbraw/zinc/97/83/75/982978375.db2.gz	OUIODNOQWDEANT-INIZCTEOSA-N	1	0	365.499	1.523	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1	ZINC000884205436	982980732	/nfs/dbraw/zinc/98/07/32/982980732.db2.gz	WRPWLFXRKXBNSS-IBGZPJMESA-N	1	0	373.497	1.981	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1nc(-c3ccncc3)cs1)C2	ZINC000884210958	982987154	/nfs/dbraw/zinc/98/71/54/982987154.db2.gz	OUUWOWDWNCOBPR-TXKKKEFDSA-N	1	0	353.451	1.961	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCN(c3ccc(F)cc3F)C1)C2	ZINC000884213886	982991169	/nfs/dbraw/zinc/99/11/69/982991169.db2.gz	NYWJBEDFPIRGAI-GHGJTTARSA-N	1	0	360.408	1.799	20	30		FDEDRO
C[C@@H]1C[C@@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CC(=O)N1	ZINC000332517147	983067037	/nfs/dbraw/zinc/06/70/37/983067037.db2.gz	HYDYNEKGQKMTNM-NVXWUHKLSA-N	1	0	354.454	1.576	20	30		FDEDRO
COc1cc2c(cc1CNC(=O)C1CC3(C1)C[NH2+]C[C@@H]3C#N)O[C@H](C)C2	ZINC000884305727	983070570	/nfs/dbraw/zinc/07/05/70/983070570.db2.gz	GCRJSUZVEUYAFF-JEDQCGLWSA-N	1	0	355.438	1.774	20	30		FDEDRO
COc1cccc([C@H]2CN(C(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CCO2)c1	ZINC000884310174	983073976	/nfs/dbraw/zinc/07/39/76/983073976.db2.gz	QLFKFXUXBSFCCK-CAZWYBIWSA-N	1	0	355.438	1.734	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)[N@@H+]1CCCC[C@@H]1C	ZINC000332560721	983075601	/nfs/dbraw/zinc/07/56/01/983075601.db2.gz	RDFIWBULOIRUNH-UONOGXRCSA-N	1	0	374.489	1.827	20	30		FDEDRO
CN(Cc1cn(C)nc1C(F)(F)F)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884329874	983089949	/nfs/dbraw/zinc/08/99/49/983089949.db2.gz	XOUIASSQEQGCKC-WBFHCKIUSA-N	1	0	355.364	1.537	20	30		FDEDRO
N#CCN1CCN(C(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CC1	ZINC000333125040	983128012	/nfs/dbraw/zinc/12/80/12/983128012.db2.gz	VOYIAFPCYCVCDT-TZIWHRDSSA-N	1	0	352.482	1.956	20	30		FDEDRO
CN1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[C@@H](Cc2ccccc2)C1	ZINC000884386857	983132108	/nfs/dbraw/zinc/13/21/08/983132108.db2.gz	BKTUEHPZINVZFE-JMDAGXMHSA-N	1	0	352.482	1.511	20	30		FDEDRO
COc1ccc([C@H]2CN(C(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CCO2)cc1	ZINC000884471961	983173949	/nfs/dbraw/zinc/17/39/49/983173949.db2.gz	LEKMCBKZUBLRBV-CAZWYBIWSA-N	1	0	355.438	1.734	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCN(c3ccc(F)cc3F)CC1)C2	ZINC000884471369	983174133	/nfs/dbraw/zinc/17/41/33/983174133.db2.gz	TYZSRRMILJXNOH-SHYRYGCCSA-N	1	0	360.408	1.753	20	30		FDEDRO
C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	ZINC000884551456	983239509	/nfs/dbraw/zinc/23/95/09/983239509.db2.gz	AWQVWLPOHFSGQZ-SWLSCSKDSA-N	1	0	368.462	1.851	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F)c1cccc(C#N)c1	ZINC000884616847	983279103	/nfs/dbraw/zinc/27/91/03/983279103.db2.gz	CWFBVVYAIRZCRQ-BXUZGUMPSA-N	1	0	350.369	1.096	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccc(OC)nc1)C2	ZINC001110801214	983739066	/nfs/dbraw/zinc/73/90/66/983739066.db2.gz	WCAUODAOVVINRA-ZACQAIPSSA-N	1	0	372.469	1.047	20	30		FDEDRO
CC[C@@H](C#N)Oc1cc(CNC(=O)NC[C@H]2COCC[NH2+]2)ccc1OC	ZINC000861578505	983784003	/nfs/dbraw/zinc/78/40/03/983784003.db2.gz	QIBOCEFPRRCUFA-GJZGRUSLSA-N	1	0	362.430	1.164	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(CC[NH3+])CC2)cc1	ZINC000653257222	1014982716	/nfs/dbraw/zinc/98/27/16/1014982716.db2.gz	TXILKUWAZXJHTA-UHFFFAOYSA-N	1	0	351.472	1.352	20	30		FDEDRO
CCCCCCCNC(=O)C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1	ZINC000861785180	983919631	/nfs/dbraw/zinc/91/96/31/983919631.db2.gz	DOPLAIDBIYYYMH-IAGOWNOFSA-N	1	0	353.507	1.818	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@@]1(C)C[C@@H](OC)CN1C(=O)OC(C)(C)C	ZINC000861838225	983949585	/nfs/dbraw/zinc/94/95/85/983949585.db2.gz	VQRBIHRYNSTIBZ-DNVCBOLYSA-N	1	0	367.490	1.472	20	30		FDEDRO
C#CC[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1)C(=O)OC	ZINC000861950777	984009039	/nfs/dbraw/zinc/00/90/39/984009039.db2.gz	VERWFVJGVLRNOM-IPMKNSEASA-N	1	0	354.450	1.826	20	30		FDEDRO
COc1cc(CN2CCN(c3ccc(C#N)nc3)CC2)cc(OC)c1O	ZINC000862421687	984384560	/nfs/dbraw/zinc/38/45/60/984384560.db2.gz	DDMAYZUIEYOEAR-UHFFFAOYSA-N	1	0	354.410	1.998	20	30		FDEDRO
NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC([NH2+]CC#Cc2ccccc2Cl)CC1	ZINC001202526772	984689989	/nfs/dbraw/zinc/68/99/89/984689989.db2.gz	ORLSUXRPLJUNOT-CVEARBPZSA-N	1	0	359.857	1.394	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2	ZINC000885096683	985172735	/nfs/dbraw/zinc/17/27/35/985172735.db2.gz	MTXXXNAAVKOIBK-HNNXBMFYSA-N	1	0	351.491	1.370	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1	ZINC000885154537	985208909	/nfs/dbraw/zinc/20/89/09/985208909.db2.gz	ZAIACHYAQQKTHE-LJQANCHMSA-N	1	0	362.433	1.347	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C2CC2)C2CCOCC2)CC1	ZINC000653392440	1015120978	/nfs/dbraw/zinc/12/09/78/1015120978.db2.gz	AQTXKIGQYNXHPM-GOSISDBHSA-N	1	0	363.502	1.465	20	30		FDEDRO
C[C@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)c1cc(F)cc(C#N)c1	ZINC000885847232	985695322	/nfs/dbraw/zinc/69/53/22/985695322.db2.gz	FYMNMNUBCMGVMN-ZDUSSCGKSA-N	1	0	360.414	1.992	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C	ZINC000885848388	985696445	/nfs/dbraw/zinc/69/64/45/985696445.db2.gz	SVDIPAUIOIWQEV-LSDHHAIUSA-N	1	0	351.476	1.318	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)CCC1	ZINC000886190570	985952219	/nfs/dbraw/zinc/95/22/19/985952219.db2.gz	WGHAPXACXUMILB-HNNXBMFYSA-N	1	0	355.504	1.321	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)CCC1	ZINC000886202955	985964496	/nfs/dbraw/zinc/96/44/96/985964496.db2.gz	ILBLVAGWUTWBFE-ULQDDVLXSA-N	1	0	365.474	1.801	20	30		FDEDRO
N#CCCn1cc(C[NH2+][C@@H](CO)C[C@@H]2CCCO2)c(-c2ccncc2)n1	ZINC000886223720	985980413	/nfs/dbraw/zinc/98/04/13/985980413.db2.gz	PLEZRTGLHKGBKY-MSOLQXFVSA-N	1	0	355.442	1.878	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)CCC1	ZINC000886231469	985982979	/nfs/dbraw/zinc/98/29/79/985982979.db2.gz	DWILBMCRGCGWCX-IHRRRGAJSA-N	1	0	359.392	1.774	20	30		FDEDRO
C=CCOc1ccc(C[NH2+]CC2(S(=O)(=O)N(C)C)CC2)cc1OC	ZINC000886322143	986066898	/nfs/dbraw/zinc/06/68/98/986066898.db2.gz	OXCGSEUCGLSFKK-UHFFFAOYSA-N	1	0	354.472	1.774	20	30		FDEDRO
C#CC[C@@H]1CC[N@@H+](CC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)C1	ZINC000886360045	986097498	/nfs/dbraw/zinc/09/74/98/986097498.db2.gz	OHZBNCKTANIGFX-CYBMUJFWSA-N	1	0	358.394	1.544	20	30		FDEDRO
C#CCN(C[C@@H](O)C[N@@H+](C)C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886425947	986202843	/nfs/dbraw/zinc/20/28/43/986202843.db2.gz	BBZUAGKTAODLEE-SFHVURJKSA-N	1	0	365.518	1.776	20	30		FDEDRO
C#CCN(C(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1)C1CC[NH+](C)CC1	ZINC000886585449	986390945	/nfs/dbraw/zinc/39/09/45/986390945.db2.gz	WTVWLTVUPYMNKD-INIZCTEOSA-N	1	0	369.465	1.604	20	30		FDEDRO
C#CCN(C(=O)c1cc(C(=O)OCC)cc([N+](=O)[O-])c1)C1CC[NH+](C)CC1	ZINC000886587024	986391572	/nfs/dbraw/zinc/39/15/72/986391572.db2.gz	CUINTWYZZUDPLU-UHFFFAOYSA-N	1	0	373.409	1.941	20	30		FDEDRO
C#CCN1CCC[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@H](C)NC(=O)OC(C)(C)C)C1	ZINC000886662265	986465246	/nfs/dbraw/zinc/46/52/46/986465246.db2.gz	AGICRFFUGSLDQL-XLAORIBOSA-N	1	0	365.518	1.992	20	30		FDEDRO
C=CCC1(O)CC[NH+](CCOc2ccc(S(=O)(=O)N(C)C)cc2)CC1	ZINC000886755975	986554737	/nfs/dbraw/zinc/55/47/37/986554737.db2.gz	YSROPLLYLMGBPP-UHFFFAOYSA-N	1	0	368.499	1.719	20	30		FDEDRO
CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C1(C)C	ZINC000870981917	986558554	/nfs/dbraw/zinc/55/85/54/986558554.db2.gz	STJJRDOVSUYBOI-YLJYHZDGSA-N	1	0	374.460	1.878	20	30		FDEDRO
C=CCC1(O)CC[NH+](C[C@@H](O)COc2c(OC)cccc2OC)CC1	ZINC000886763730	986565475	/nfs/dbraw/zinc/56/54/75/986565475.db2.gz	CRYALVCMBLSCLG-OAHLLOKOSA-N	1	0	351.443	1.847	20	30		FDEDRO
C=CCn1c([C@H]2CCO[C@H]2C)nnc1N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000871051110	986617660	/nfs/dbraw/zinc/61/76/60/986617660.db2.gz	PFGVYZSHTDRDSV-WMZOPIPTSA-N	1	0	374.533	1.573	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(Cc2nc([C@H](C)C[NH2+]C)no2)s1	ZINC000871786055	987241322	/nfs/dbraw/zinc/24/13/22/987241322.db2.gz	XTPHKBCPKZUWRH-SNVBAGLBSA-N	1	0	356.473	1.509	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1	ZINC000872186944	987487671	/nfs/dbraw/zinc/48/76/71/987487671.db2.gz	BEKISUGQSBYBGM-LSDHHAIUSA-N	1	0	369.387	1.797	20	30		FDEDRO
CS(=O)(=O)c1ccc([C@@H](O)C[NH2+][C@@H]2Cc3ccc(C#N)cc3C2)cc1	ZINC000872238852	987535503	/nfs/dbraw/zinc/53/55/03/987535503.db2.gz	LMNIWZRDJNUSEK-MJGOQNOKSA-N	1	0	356.447	1.752	20	30		FDEDRO
CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CC[N@H+](CCCC#N)C1	ZINC000872294831	987578726	/nfs/dbraw/zinc/57/87/26/987578726.db2.gz	CPZCUNLKZMWOLI-KFWWJZLASA-N	1	0	364.446	1.805	20	30		FDEDRO
CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2c(C)cccc2C#N)CC1	ZINC000872455513	987677486	/nfs/dbraw/zinc/67/74/86/987677486.db2.gz	UFGHJNTYXLWKES-OAHLLOKOSA-N	1	0	364.515	1.419	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N[C@H](C)CCN2CC[NH+](C)CC2)c(C#N)c1	ZINC000872477348	987701750	/nfs/dbraw/zinc/70/17/50/987701750.db2.gz	HAIBFQLRGKZUBS-OAHLLOKOSA-N	1	0	350.488	1.171	20	30		FDEDRO
COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(C)cccc1C#N	ZINC000872489408	987714282	/nfs/dbraw/zinc/71/42/82/987714282.db2.gz	UOBZMICZWUHXOB-UHFFFAOYSA-N	1	0	365.499	1.988	20	30		FDEDRO
C#CCNC(=O)CC[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1	ZINC000292854310	987915125	/nfs/dbraw/zinc/91/51/25/987915125.db2.gz	QULYTKHXKYFMJZ-OAHLLOKOSA-N	1	0	360.433	1.799	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C1(Cc2cccc(F)c2)CCOCC1	ZINC000292944235	987940515	/nfs/dbraw/zinc/94/05/15/987940515.db2.gz	IBJAIMHCWJFFQZ-CQSZACIVSA-N	1	0	363.433	1.907	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)nc1	ZINC000293224221	987996070	/nfs/dbraw/zinc/99/60/70/987996070.db2.gz	BTDZSUVDPGAXHF-QGZVFWFLSA-N	1	0	363.421	1.673	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCn1cnccc1=O	ZINC000293305213	988025409	/nfs/dbraw/zinc/02/54/09/988025409.db2.gz	LBADCNORLMNEDP-UHFFFAOYSA-N	1	0	353.426	1.095	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(Cl)c1-n1cccn1	ZINC000293388129	988057667	/nfs/dbraw/zinc/05/76/67/988057667.db2.gz	NMOHLCDDIZSESL-UHFFFAOYSA-N	1	0	373.844	1.536	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)CC1	ZINC000365881912	988185264	/nfs/dbraw/zinc/18/52/64/988185264.db2.gz	DSGGCEIGYUFUGQ-MGPUTAFESA-N	1	0	352.438	1.590	20	30		FDEDRO
C[C@]1(C2CC[NH+](CCCOc3ccc(C#N)cc3)CC2)NC(=O)NC1=O	ZINC000365933183	988239171	/nfs/dbraw/zinc/23/91/71/988239171.db2.gz	BFIXPVLEMWWYTI-LJQANCHMSA-N	1	0	356.426	1.637	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1	ZINC000872975164	988363757	/nfs/dbraw/zinc/36/37/57/988363757.db2.gz	ZKPHLHJEXXLRFS-UHFFFAOYSA-N	1	0	365.518	1.808	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NC3CC([NH+]4CCCCC4)C3)CC2)cn1	ZINC000872994262	988388037	/nfs/dbraw/zinc/38/80/37/988388037.db2.gz	UPKYTBLGNQQRDS-UHFFFAOYSA-N	1	0	368.485	1.802	20	30		FDEDRO
N#C[C@]1(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)CCc2ccccc2C1	ZINC000361910820	988537620	/nfs/dbraw/zinc/53/76/20/988537620.db2.gz	ZSYQEAOQWJRPMJ-QFIPXVFZSA-N	1	0	366.509	1.925	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)ccc1F	ZINC000873103751	988553911	/nfs/dbraw/zinc/55/39/11/988553911.db2.gz	GRAKTNQGXZPFDU-MWLCHTKSSA-N	1	0	358.295	1.231	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1	ZINC000873105601	988561638	/nfs/dbraw/zinc/56/16/38/988561638.db2.gz	ZHSYKYQJPSTYEU-SMDDNHRTSA-N	1	0	371.359	1.786	20	30		FDEDRO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCN([C@@H]2CCOC2)CC1	ZINC000362034539	988566116	/nfs/dbraw/zinc/56/61/16/988566116.db2.gz	YBXOVZIWWPYQAL-SFANZJOMSA-N	1	0	362.518	1.712	20	30		FDEDRO
C[C@H]1CN(CC(=O)NC2(C#N)CCCCC2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000362079217	988575711	/nfs/dbraw/zinc/57/57/11/988575711.db2.gz	OZERTGPFUMRDPI-ZWKOTPCHSA-N	1	0	361.534	1.287	20	30		FDEDRO
N#Cc1ccc(C[C@@H](C#N)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1	ZINC000366274609	988593133	/nfs/dbraw/zinc/59/31/33/988593133.db2.gz	UZDXPMNCOKKGSI-MOPGFXCFSA-N	1	0	366.465	1.858	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@H+](C)[C@H]1CC(=O)N(Cc2ccccc2)C1=O	ZINC000362489818	988678858	/nfs/dbraw/zinc/67/88/58/988678858.db2.gz	XAECTFHAFQPQKL-INIZCTEOSA-N	1	0	356.426	1.008	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000362705437	988710583	/nfs/dbraw/zinc/71/05/83/988710583.db2.gz	LTPIDGUWBFFQAZ-DOTOQJQBSA-N	1	0	356.470	1.610	20	30		FDEDRO
N#CCCn1cc(C[N@@H+]2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)c(-c2ccccc2)n1	ZINC000366486816	988713561	/nfs/dbraw/zinc/71/35/61/988713561.db2.gz	YJQRXIDPQZGWII-IRXDYDNUSA-N	1	0	363.421	1.558	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CCN2c3ccccc3O[C@@H](C)C2=O)CC1	ZINC000367378525	988946842	/nfs/dbraw/zinc/94/68/42/988946842.db2.gz	HVJLRAPCDHWMMF-HNNXBMFYSA-N	1	0	355.438	1.262	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1C#N	ZINC000873662971	988953610	/nfs/dbraw/zinc/95/36/10/988953610.db2.gz	AROWMSLYUZFLCR-UONOGXRCSA-N	1	0	358.442	1.742	20	30		FDEDRO
Cc1cc(F)c(C#N)cc1NC(=O)C(=O)NCCc1cn2c(n1)CCCC2	ZINC000873668601	988964938	/nfs/dbraw/zinc/96/49/38/988964938.db2.gz	XHUDZFOOFJVAEK-UHFFFAOYSA-N	1	0	369.400	1.836	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1	ZINC000368193543	988982641	/nfs/dbraw/zinc/98/26/41/988982641.db2.gz	MIHALODZVRDUNJ-KRWDZBQOSA-N	1	0	355.442	1.766	20	30		FDEDRO
CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(OC)c(C#N)c2)C1	ZINC000873737437	989091796	/nfs/dbraw/zinc/09/17/96/989091796.db2.gz	CULMETRSQDANCY-CQSZACIVSA-N	1	0	358.442	1.696	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1=O	ZINC000369757472	989148850	/nfs/dbraw/zinc/14/88/50/989148850.db2.gz	ZBBWXFNQJORMJZ-BZSNNMDCSA-N	1	0	356.470	1.860	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)CC1	ZINC000369758517	989150219	/nfs/dbraw/zinc/15/02/19/989150219.db2.gz	YMPBGQJGBOKCSB-FQEVSTJZSA-N	1	0	355.482	1.491	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1C#N	ZINC000369802407	989193427	/nfs/dbraw/zinc/19/34/27/989193427.db2.gz	CLTGQNQXWIFXJO-YXJHDRRASA-N	1	0	352.438	1.748	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1C#N	ZINC000873821123	989254602	/nfs/dbraw/zinc/25/46/02/989254602.db2.gz	DYXJTBGDFURESH-INIZCTEOSA-N	1	0	356.426	1.592	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)CC1	ZINC000363551469	989292354	/nfs/dbraw/zinc/29/23/54/989292354.db2.gz	OYRSTFGVCRHMTP-LJQANCHMSA-N	1	0	367.493	1.947	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)CC1	ZINC000363580562	989320691	/nfs/dbraw/zinc/32/06/91/989320691.db2.gz	RCZCNVLVOYYLSA-AWEZNQCLSA-N	1	0	371.437	1.535	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)C1	ZINC000369937782	989324935	/nfs/dbraw/zinc/32/49/35/989324935.db2.gz	RIIDMMISLYDYOC-MSOLQXFVSA-N	1	0	371.485	1.315	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1C#N	ZINC000873880814	989382408	/nfs/dbraw/zinc/38/24/08/989382408.db2.gz	LLJRYJXDFJPHRV-XJKSGUPXSA-N	1	0	356.426	1.591	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N[C@@H](CN1CCOCC1)c1ccccc1	ZINC000296720046	989383248	/nfs/dbraw/zinc/38/32/48/989383248.db2.gz	BUUOCJGNVXYIRI-IBGZPJMESA-N	1	0	358.486	1.314	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCC2CCC(C#N)CC2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000370139139	989485362	/nfs/dbraw/zinc/48/53/62/989485362.db2.gz	BXFWCXPBRGPDBO-LWSMDNFKSA-N	1	0	361.534	1.984	20	30		FDEDRO
C[C@H]1CN(CC(=O)Nc2ccc(C#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000370151358	989497853	/nfs/dbraw/zinc/49/78/53/989497853.db2.gz	VOHXGWIHYZBNHX-QFBILLFUSA-N	1	0	355.486	1.455	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)cc1C#N	ZINC000873943889	989503071	/nfs/dbraw/zinc/50/30/71/989503071.db2.gz	NUUHZEQNJXSMEW-AWEZNQCLSA-N	1	0	358.442	1.742	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(n2cnc(C(N)=O)c2N)CC1	ZINC000297312829	989510782	/nfs/dbraw/zinc/51/07/82/989510782.db2.gz	BUWMFJCYZGUTNI-CYBMUJFWSA-N	1	0	362.478	1.014	20	30		FDEDRO
CN1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3ccc(OCC#N)cc3)C2)CC1	ZINC000364209315	989513516	/nfs/dbraw/zinc/51/35/16/989513516.db2.gz	UYLQFIBBIRPCHP-QGZVFWFLSA-N	1	0	356.470	1.416	20	30		FDEDRO
C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CCC1(C)C	ZINC000874096390	989739400	/nfs/dbraw/zinc/73/94/00/989739400.db2.gz	HXVLYBDSBADTBJ-UHFFFAOYSA-N	1	0	362.405	1.609	20	30		FDEDRO
C[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CCC1(C)C	ZINC000874096528	989740942	/nfs/dbraw/zinc/74/09/42/989740942.db2.gz	PCKHAWFZCQUGRO-UHFFFAOYSA-N	1	0	359.474	1.996	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)c1nc(Cc2ccccc2)no1	ZINC000297987872	989819894	/nfs/dbraw/zinc/81/98/94/989819894.db2.gz	OWRMNELBZAZYSK-OAHLLOKOSA-N	1	0	355.442	1.976	20	30		FDEDRO
C[C@@H](C#N)CN(C)C(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000298045509	989859725	/nfs/dbraw/zinc/85/97/25/989859725.db2.gz	PMUMPJOYKOTNOU-DLBZAZTESA-N	1	0	356.470	1.727	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1	ZINC000874171440	989864707	/nfs/dbraw/zinc/86/47/07/989864707.db2.gz	DAMMDHAAYVXEFH-YCPHGPKFSA-N	1	0	356.426	1.469	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000874178266	989896706	/nfs/dbraw/zinc/89/67/06/989896706.db2.gz	OPMQEONUABFMMM-UHFFFAOYSA-N	1	0	369.469	1.044	20	30		FDEDRO
CCn1ncc(C(=O)N(CCC#N)CCC[NH+](C)C)c1Br	ZINC000874192442	989922370	/nfs/dbraw/zinc/92/23/70/989922370.db2.gz	LIYNYOUGLFGHOC-UHFFFAOYSA-N	1	0	356.268	1.973	20	30		FDEDRO
CCN1CCO[C@@H](CN2CCN(Cc3ccc(OC)c(C#N)c3)CC2)C1	ZINC000370872328	990069856	/nfs/dbraw/zinc/06/98/56/990069856.db2.gz	ILNJZUKHABXTSX-LJQANCHMSA-N	1	0	358.486	1.405	20	30		FDEDRO
C#C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CC1	ZINC000874373139	990211006	/nfs/dbraw/zinc/21/10/06/990211006.db2.gz	AFCWEIFATVWEEX-WKILWMFISA-N	1	0	357.454	1.874	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000371269142	990327688	/nfs/dbraw/zinc/32/76/88/990327688.db2.gz	QVWWPFSVEMLQMS-AEFFLSMTSA-N	1	0	369.465	1.251	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1	ZINC000874597542	990407183	/nfs/dbraw/zinc/40/71/83/990407183.db2.gz	QGTCTMPURWDSIR-GOSISDBHSA-N	1	0	355.438	1.815	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)C1	ZINC000968714462	1015561786	/nfs/dbraw/zinc/56/17/86/1015561786.db2.gz	MOYHOVSLABXCOD-QGPMSJSTSA-N	1	0	370.453	1.194	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1	ZINC000371424739	990421346	/nfs/dbraw/zinc/42/13/46/990421346.db2.gz	PJIVQZYZGSHSCW-IBGZPJMESA-N	1	0	368.481	1.233	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1	ZINC000968717018	1015565785	/nfs/dbraw/zinc/56/57/85/1015565785.db2.gz	NYFOVIGCAPIFFN-KURKYZTESA-N	1	0	357.454	1.457	20	30		FDEDRO
Cn1cc(CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(-c2ccc(C#N)cc2)n1	ZINC000371540477	990512028	/nfs/dbraw/zinc/51/20/28/990512028.db2.gz	YANWNPOREUUOCH-RTBURBONSA-N	1	0	351.454	1.912	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)c1	ZINC000874847976	990576343	/nfs/dbraw/zinc/57/63/43/990576343.db2.gz	QTDHIEUJIYENHK-IRXDYDNUSA-N	1	0	363.483	1.460	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)NC[C@@H](CC)[N@@H+]1CCc2ccccc2C1	ZINC000875058329	990802957	/nfs/dbraw/zinc/80/29/57/990802957.db2.gz	LCBUOMMFVMJTJG-RBUKOAKNSA-N	1	0	371.481	1.094	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(C(=O)NOC)CC1)C(C)C	ZINC000875087897	990868723	/nfs/dbraw/zinc/86/87/23/990868723.db2.gz	UMMKMMNQECDLQG-QGZVFWFLSA-N	1	0	366.506	1.784	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCN(C(=O)Cc3ccccc3)C2)CC1	ZINC000372090757	990920024	/nfs/dbraw/zinc/92/00/24/990920024.db2.gz	PSVFVTLULZOQPW-IBGZPJMESA-N	1	0	367.493	1.539	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1	ZINC000875176375	991010392	/nfs/dbraw/zinc/01/03/92/991010392.db2.gz	ZVKOFJBVIQBVLS-NZSAHSFTSA-N	1	0	371.481	1.310	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1	ZINC000875178204	991012855	/nfs/dbraw/zinc/01/28/55/991012855.db2.gz	LGLFUJCJMWWODW-NVXWUHKLSA-N	1	0	359.470	1.387	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2[C@@H](O)c2ccccc2)CC1	ZINC000875182330	991022249	/nfs/dbraw/zinc/02/22/49/991022249.db2.gz	KYQOMWZLQJUAAV-OALUTQOASA-N	1	0	371.481	1.478	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2c3ccccc3CN2C)CC1	ZINC000875182394	991022387	/nfs/dbraw/zinc/02/23/87/991022387.db2.gz	MPEBFSFCWQEHLK-IBGZPJMESA-N	1	0	370.497	1.446	20	30		FDEDRO
C=CCN(C(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1)C1CC1	ZINC000372630774	991282661	/nfs/dbraw/zinc/28/26/61/991282661.db2.gz	INBHZHOPLCPMHJ-UHFFFAOYSA-N	1	0	358.442	1.670	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000875336442	991343843	/nfs/dbraw/zinc/34/38/43/991343843.db2.gz	RUHTUIOPAUCHPC-NZSAHSFTSA-N	1	0	371.481	1.168	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1	ZINC000875415739	991508547	/nfs/dbraw/zinc/50/85/47/991508547.db2.gz	SVPFIISNBJICAF-OTWHNJEPSA-N	1	0	355.482	1.843	20	30		FDEDRO
C[NH+](C)C1CCN(CCNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1	ZINC000875428098	991528713	/nfs/dbraw/zinc/52/87/13/991528713.db2.gz	BSBZUEFAEJAEFT-SFHVURJKSA-N	1	0	355.486	1.351	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000875603930	991793100	/nfs/dbraw/zinc/79/31/00/991793100.db2.gz	GOUSMYFWLQUCLH-OALUTQOASA-N	1	0	371.481	1.121	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1	ZINC000875605390	991794745	/nfs/dbraw/zinc/79/47/45/991794745.db2.gz	GXYHGGZSIUDYGS-KZNAEPCWSA-N	1	0	363.502	1.254	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1	ZINC000410902941	991978518	/nfs/dbraw/zinc/97/85/18/991978518.db2.gz	ANQALPYCLDJAKO-ROUUACIJSA-N	1	0	365.518	1.760	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1	ZINC000875918254	992190343	/nfs/dbraw/zinc/19/03/43/992190343.db2.gz	NTQBYHWPBVXGMD-RCCFBDPRSA-N	1	0	350.507	1.082	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000875919171	992191833	/nfs/dbraw/zinc/19/18/33/992191833.db2.gz	COIHFWLSVREDIX-OTWHNJEPSA-N	1	0	364.534	1.615	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1	ZINC000875920886	992193359	/nfs/dbraw/zinc/19/33/59/992193359.db2.gz	BAWQFZOWXKXARC-OKZBNKHCSA-N	1	0	350.507	1.225	20	30		FDEDRO
Cc1c(C(=O)NCC2(CC#N)CC2)nnn1-c1cccc2c1CC[N@@H+](C)C2	ZINC000373974617	992541363	/nfs/dbraw/zinc/54/13/63/992541363.db2.gz	DWWIPJBRSIKQGB-UHFFFAOYSA-N	1	0	364.453	1.987	20	30		FDEDRO
CN1C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)CC1=O	ZINC001095493931	992678251	/nfs/dbraw/zinc/67/82/51/992678251.db2.gz	XBVMWDXBOUTZMH-BDXSIMOUSA-N	1	0	352.438	1.258	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CCCC[NH2+]2)s1	ZINC000876515152	992678300	/nfs/dbraw/zinc/67/83/00/992678300.db2.gz	LKTBKFRJFGHRGF-GFCCVEGCSA-N	1	0	357.501	1.013	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])s1	ZINC000876533908	992689624	/nfs/dbraw/zinc/68/96/24/992689624.db2.gz	MTZGUVSMWRRBJJ-JSGCOSHPSA-N	1	0	371.528	1.341	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](CC(=O)OC)c1ccc(OC)c(OC)c1	ZINC000876569429	992710750	/nfs/dbraw/zinc/71/07/50/992710750.db2.gz	STSWUYLZNOWOKE-QWHCGFSZSA-N	1	0	370.833	1.894	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1	ZINC000876573547	992713107	/nfs/dbraw/zinc/71/31/07/992713107.db2.gz	UXBRRALGIVGQKS-HNNXBMFYSA-N	1	0	351.834	1.245	20	30		FDEDRO
CC(C)(C)C(=O)N1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876580720	992717065	/nfs/dbraw/zinc/71/70/65/992717065.db2.gz	YHDBUYIWGAQGBG-KRWDZBQOSA-N	1	0	354.454	1.462	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CCC2C[NH2+]C2)c1	ZINC000876605670	992736237	/nfs/dbraw/zinc/73/62/37/992736237.db2.gz	WKFKELDSWBQDLG-CAPFRKAQSA-N	1	0	364.471	1.438	20	30		FDEDRO
N#Cc1cccc(CNC(=O)C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)c1	ZINC000411981763	992749463	/nfs/dbraw/zinc/74/94/63/992749463.db2.gz	PHJABPRSZKKUJV-RBUKOAKNSA-N	1	0	362.433	1.375	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CCN(Cc2ccc(OC)cc2)C1=O	ZINC000876672111	992784323	/nfs/dbraw/zinc/78/43/23/992784323.db2.gz	STIUNCXBWYBDJX-CABCVRRESA-N	1	0	351.834	1.382	20	30		FDEDRO
CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)[C@H]1[NH2+]CCc3cc(C#N)ccc31)CC2	ZINC000876678678	992789034	/nfs/dbraw/zinc/78/90/34/992789034.db2.gz	JCBPLOIMDVXBEO-QRVBRYPASA-N	1	0	369.465	1.524	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCc2ccc(S(=O)(=O)NCC)cc21	ZINC000876681066	992791443	/nfs/dbraw/zinc/79/14/43/992791443.db2.gz	WNUZGFGXTRGSGE-CYBMUJFWSA-N	1	0	357.863	1.344	20	30		FDEDRO
CN(C(=O)CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)C1(C#N)CCCCC1	ZINC000374419500	992832756	/nfs/dbraw/zinc/83/27/56/992832756.db2.gz	HYSPCEVQZVUDHS-KZNAEPCWSA-N	1	0	362.518	1.855	20	30		FDEDRO
CCOC(=O)N[C@H]1CCCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876875143	992944425	/nfs/dbraw/zinc/94/44/25/992944425.db2.gz	QFQOVFLUGYRZBR-RDJZCZTQSA-N	1	0	356.426	1.482	20	30		FDEDRO
CC(C)NC(=O)[C@H]1CCCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876976074	992993040	/nfs/dbraw/zinc/99/30/40/992993040.db2.gz	MYLODAIAFCYLPZ-FUHWJXTLSA-N	1	0	354.454	1.508	20	30		FDEDRO
C=CCc1cc(C[N@H+]2CC[C@@H](n3cc(C(=O)OC)nn3)C2)cc(OC)c1O	ZINC000375199948	993023565	/nfs/dbraw/zinc/02/35/65/993023565.db2.gz	DYTFXFXFJJVSCJ-OAHLLOKOSA-N	1	0	372.425	1.954	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)c3ccc4c(c3)CC[NH2+]CC4)CC2)cn1	ZINC000877296428	993192157	/nfs/dbraw/zinc/19/21/57/993192157.db2.gz	DISPCQCTPOLQKO-UHFFFAOYSA-N	1	0	361.449	1.604	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)[C@H]([NH3+])c3cccc(Cl)c3)CC2)cn1	ZINC000877296961	993193647	/nfs/dbraw/zinc/19/36/47/993193647.db2.gz	MHOPKUSSYUUFEX-QGZVFWFLSA-N	1	0	355.829	1.955	20	30		FDEDRO
CCCN1C[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)CC1=O	ZINC000413273192	993206867	/nfs/dbraw/zinc/20/68/67/993206867.db2.gz	YIKKLYIEKXDLHA-SFHVURJKSA-N	1	0	356.470	1.707	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@H]1CCCN(C)C1=O	ZINC001095537871	993299925	/nfs/dbraw/zinc/29/99/25/993299925.db2.gz	NKDISVXMKFJWAE-CVYDXHPNSA-N	1	0	356.470	1.630	20	30		FDEDRO
N#CCOc1ccc(C[NH+]2CCC(N3CCCCS3(=O)=O)CC2)cc1	ZINC001137122778	993355226	/nfs/dbraw/zinc/35/52/26/993355226.db2.gz	RMPVECFCNWHZGP-UHFFFAOYSA-N	1	0	363.483	1.979	20	30		FDEDRO
CCOC(=O)Cn1cc(C[N@@H+]2CC[C@@](O)(CC#N)C2)c(-c2ccccc2)n1	ZINC000877605318	993373808	/nfs/dbraw/zinc/37/38/08/993373808.db2.gz	AGBIHCQCDXLUCR-FQEVSTJZSA-N	1	0	368.437	1.964	20	30		FDEDRO
C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCO[C@H]1c1cnn(C)c1)C2	ZINC001095556558	993447980	/nfs/dbraw/zinc/44/79/80/993447980.db2.gz	YXUZHUGYBHMLSH-GFEQUFNTSA-N	1	0	356.470	1.633	20	30		FDEDRO
Cn1cnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)cc1=O	ZINC001095558053	993465077	/nfs/dbraw/zinc/46/50/77/993465077.db2.gz	DHUSLCJLCRITRZ-RYRKJORJSA-N	1	0	363.421	1.187	20	30		FDEDRO
CC(=O)[C@](C#N)(CCN1CCC[C@H](N2CCNC2=O)C1)c1ccccc1	ZINC000878106621	993714273	/nfs/dbraw/zinc/71/42/73/993714273.db2.gz	LKVXUWJCFDMQMS-AZUAARDMSA-N	1	0	354.454	1.917	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCc1ccc(C(N)=O)cc1	ZINC000878186586	993772492	/nfs/dbraw/zinc/77/24/92/993772492.db2.gz	VXSMNWREELOZOK-CQSZACIVSA-N	1	0	350.426	1.200	20	30		FDEDRO
CC[N@H+](CCO)CCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	ZINC000470587190	994065774	/nfs/dbraw/zinc/06/57/74/994065774.db2.gz	GLZGEYYIAVMESR-UHFFFAOYSA-N	1	0	354.410	1.790	20	30		FDEDRO
CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1)c1ccccc1	ZINC000878655070	994094294	/nfs/dbraw/zinc/09/42/94/994094294.db2.gz	ZBTFPPIQIYOGSB-UXHICEINSA-N	1	0	367.453	1.848	20	30		FDEDRO
C#CCO[C@H](C)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1	ZINC000826071930	994160867	/nfs/dbraw/zinc/16/08/67/994160867.db2.gz	KWRLLYNSHDLNMU-CRAIPNDOSA-N	1	0	357.454	1.830	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)C[C@H]1CNC(=O)OC(C)(C)C	ZINC000879216021	994644139	/nfs/dbraw/zinc/64/41/39/994644139.db2.gz	PFHVYCQUEKITLN-ZIAGYGMSSA-N	1	0	350.463	1.641	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000879284991	994736175	/nfs/dbraw/zinc/73/61/75/994736175.db2.gz	MECWBDKQASXDRV-UHFFFAOYSA-N	1	0	356.470	1.942	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CN1C(=O)N[C@@H]([C@H](O)c2ccncc2)C1=O)C(C)C	ZINC000924486752	994736801	/nfs/dbraw/zinc/73/68/01/994736801.db2.gz	YMRFGNMENZHTOA-FGTMMUONSA-N	1	0	372.469	1.734	20	30		FDEDRO
C[C@@H](CC(C)(C)C#N)[NH2+]CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000924730387	994956114	/nfs/dbraw/zinc/95/61/14/994956114.db2.gz	NJYXYRYUYVCNBO-AWEZNQCLSA-N	1	0	352.479	1.984	20	30		FDEDRO
C[NH+](C)C[C@H]1NC(=O)N(C2CCC(Oc3ncccc3C#N)CC2)C1=O	ZINC000924832037	995044382	/nfs/dbraw/zinc/04/43/82/995044382.db2.gz	FDNXCXWKRUAGIK-YMAMQOFZSA-N	1	0	357.414	1.125	20	30		FDEDRO
C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@H](O)CN(C)C	ZINC000924995685	995222065	/nfs/dbraw/zinc/22/20/65/995222065.db2.gz	XXKJTSZDWABOGO-CVEARBPZSA-N	1	0	368.522	1.818	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)c(Br)c1	ZINC000880071938	995609677	/nfs/dbraw/zinc/60/96/77/995609677.db2.gz	QJFROWHQIWAVMG-LSDHHAIUSA-N	1	0	350.260	1.962	20	30		FDEDRO
N#Cc1cc(Br)ccc1CN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO	ZINC000880072791	995610938	/nfs/dbraw/zinc/61/09/38/995610938.db2.gz	KOBIHUGPACHFOL-JKSUJKDBSA-N	1	0	350.260	1.962	20	30		FDEDRO
Cc1oc(NC(=O)CN2CCC[C@H]([NH2+]C3CCOCC3)C2)c(C#N)c1C	ZINC000880209811	995722848	/nfs/dbraw/zinc/72/28/48/995722848.db2.gz	GWCFETFDKAFRHI-INIZCTEOSA-N	1	0	360.458	1.940	20	30		FDEDRO
CN(C(=O)CN1CCC[C@@H]([NH2+]C2CCOCC2)C1)C1(C#N)CCCCC1	ZINC000880211096	995723532	/nfs/dbraw/zinc/72/35/32/995723532.db2.gz	IHAXMJVWWUWKES-GOSISDBHSA-N	1	0	362.518	1.904	20	30		FDEDRO
COc1ccc(CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1C#N	ZINC000880252245	995756566	/nfs/dbraw/zinc/75/65/66/995756566.db2.gz	BPQRIJPBAQLWOW-UHFFFAOYSA-N	1	0	356.470	1.873	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)CNc1ccc(C#N)cc1)C2	ZINC000926179779	995962589	/nfs/dbraw/zinc/96/25/89/995962589.db2.gz	LFZQLTMCJILRHD-JYBIWHBTSA-N	1	0	356.470	1.566	20	30		FDEDRO
CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)CC3(C#N)CCOCC3)C2)[C@@H]1C(C)C	ZINC000926239804	995988749	/nfs/dbraw/zinc/98/87/49/995988749.db2.gz	VVIXIPLTYPMJBJ-ZTRFORPCSA-N	1	0	363.502	1.683	20	30		FDEDRO
CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3cnn(CCC#N)c3C)C2)[C@H]1C(C)C	ZINC000926252245	995998779	/nfs/dbraw/zinc/99/87/79/995998779.db2.gz	CFZCRBXZYQGLOI-MLYOOKFZSA-N	1	0	373.501	1.705	20	30		FDEDRO
Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc1C#N	ZINC000926862969	996347753	/nfs/dbraw/zinc/34/77/53/996347753.db2.gz	YPWBCQYBEXQJLP-SFHVURJKSA-N	1	0	373.501	1.758	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)CCOCC1	ZINC000887123356	996954593	/nfs/dbraw/zinc/95/45/93/996954593.db2.gz	LGZOPPNOASCFNZ-UHFFFAOYSA-N	1	0	374.832	1.416	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N(CCC(N)=O)Cc2ccccc2)CCOCC1	ZINC000887125985	996956100	/nfs/dbraw/zinc/95/61/00/996956100.db2.gz	RKBAPZNEXAKVHU-UHFFFAOYSA-N	1	0	357.454	1.053	20	30		FDEDRO
CCN(CC)c1ccc(/C=[NH+]\CCc2nnc3c(=O)n(C)ccn23)c(O)c1	ZINC000887270911	997079928	/nfs/dbraw/zinc/07/99/28/997079928.db2.gz	WGYCGBHYWJLNBJ-MOSHPQCFSA-N	1	0	368.441	1.641	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1	ZINC000333392430	997212008	/nfs/dbraw/zinc/21/20/08/997212008.db2.gz	HESZDQBAWIEBEY-UKBAYJJMSA-N	1	0	360.502	1.226	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCN1Cc1ccccc1	ZINC000333615854	997244564	/nfs/dbraw/zinc/24/45/64/997244564.db2.gz	YQXFKJILDFCFCQ-IYWMVGAKSA-N	1	0	367.497	1.794	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H](N2CCC[C@H](c3ccnc(N)n3)C2)C1=O	ZINC000334018695	997311493	/nfs/dbraw/zinc/31/14/93/997311493.db2.gz	CARCKGZGTNYMKL-ZFWWWQNUSA-N	1	0	368.466	1.977	20	30		FDEDRO
CN(C)c1ccc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)cc1F	ZINC000264073097	997395607	/nfs/dbraw/zinc/39/56/07/997395607.db2.gz	DUFVPOXUSFTWLR-UHFFFAOYSA-N	1	0	357.437	1.319	20	30		FDEDRO
CCCCNC(=[NH2+])NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1	ZINC000264077184	997397302	/nfs/dbraw/zinc/39/73/02/997397302.db2.gz	GDFVTYUKADQKSQ-INIZCTEOSA-N	1	0	362.474	1.565	20	30		FDEDRO
COc1ccc(C)cc1CCNC(=[NH2+])N1CCN(c2ncccn2)CC1	ZINC000264088683	997399921	/nfs/dbraw/zinc/39/99/21/997399921.db2.gz	KKEMGSXCKHNBOS-UHFFFAOYSA-N	1	0	354.458	1.473	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCN2CCc3ccccc3C2)CC1	ZINC000264090089	997401157	/nfs/dbraw/zinc/40/11/57/997401157.db2.gz	KTXAIZNXCPKGMH-UHFFFAOYSA-N	1	0	373.501	1.570	20	30		FDEDRO
Cc1ccc([C@@H](CNC(=[NH2+])N2CCN(c3ncccn3)CC2)N(C)C)cc1	ZINC000264123726	997407505	/nfs/dbraw/zinc/40/75/05/997407505.db2.gz	VRTXMLYAUPQFJV-GOSISDBHSA-N	1	0	367.501	1.525	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)OCCO3)CC1	ZINC000264499274	997525138	/nfs/dbraw/zinc/52/51/38/997525138.db2.gz	XSPVSWTUHKKBIW-UHFFFAOYSA-N	1	0	359.426	1.553	20	30		FDEDRO
C=CCOc1ccc(C(=O)N(C)CCCN2CC[NH+](C)CC2)cc1OC	ZINC000264673214	997566672	/nfs/dbraw/zinc/56/66/72/997566672.db2.gz	YWWGDTLZWTZOLI-UHFFFAOYSA-N	1	0	361.486	1.970	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O	ZINC000264856527	997637794	/nfs/dbraw/zinc/63/77/94/997637794.db2.gz	ODFJNHKQBAYBBV-MRXNPFEDSA-N	1	0	360.458	1.390	20	30		FDEDRO
C[NH+](C)CCn1ncc(C(=O)N2CCO[C@](C)(C#N)C2)c1-c1ccccc1	ZINC000887684905	997647984	/nfs/dbraw/zinc/64/79/84/997647984.db2.gz	RPNUXYLIRXATDZ-HXUWFJFHSA-N	1	0	367.453	1.866	20	30		FDEDRO
Cc1ccc([C@H](CNC(=O)CCNC(=O)C2N=CC=CC2=O)[NH+](C)C)cc1	ZINC000265060246	997686436	/nfs/dbraw/zinc/68/64/36/997686436.db2.gz	SFRYCNHFAUAFLY-JVMRMLDLSA-N	1	0	370.453	1.630	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(OCC#N)c2)C1	ZINC000265395947	997780964	/nfs/dbraw/zinc/78/09/64/997780964.db2.gz	QPTOAQFNRBQYMD-HNNXBMFYSA-N	1	0	358.442	1.764	20	30		FDEDRO
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000889775125	998645143	/nfs/dbraw/zinc/64/51/43/998645143.db2.gz	LICUVRUQKSVVKZ-DLBZAZTESA-N	1	0	368.437	1.922	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)Nc1nc2n(c1C(=O)OC(C)(C)C)CCOC2	ZINC000889868084	998713846	/nfs/dbraw/zinc/71/38/46/998713846.db2.gz	UZWBKYPOCSSADU-UHFFFAOYSA-N	1	0	350.419	1.425	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1C1CC1	ZINC000889937433	998734651	/nfs/dbraw/zinc/73/46/51/998734651.db2.gz	AQRCQKCNJJUEEU-IAGOWNOFSA-N	1	0	368.437	1.354	20	30		FDEDRO
C[C@H](NC(=O)C(=O)Nc1cccc(CC#N)n1)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000890077763	998806116	/nfs/dbraw/zinc/80/61/16/998806116.db2.gz	WXXDWIINRLFFAO-GJZGRUSLSA-N	1	0	369.469	1.855	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCC[N@H+]2CCC(C)(C)C2)c1	ZINC000890081410	998808852	/nfs/dbraw/zinc/80/88/52/998808852.db2.gz	HJXSMEOCVVFUKR-UHFFFAOYSA-N	1	0	365.499	1.613	20	30		FDEDRO
C#C[C@@H](CC)NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000890215699	998873571	/nfs/dbraw/zinc/87/35/71/998873571.db2.gz	RXUQMUWVBRTFIN-YJBOKZPZSA-N	1	0	354.454	1.438	20	30		FDEDRO
CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1cccc(CC#N)n1	ZINC000890280226	998888128	/nfs/dbraw/zinc/88/81/28/998888128.db2.gz	UNAVDXKARBYACJ-UHFFFAOYSA-N	1	0	357.458	1.811	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCOc3cc(C(=O)OC)ccc3C2)CC1	ZINC000890497496	998965027	/nfs/dbraw/zinc/96/50/27/998965027.db2.gz	GTUIVSCHYVODET-UHFFFAOYSA-N	1	0	356.422	1.539	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNc3ccc(C#N)c(C)n3)C2)CC[N@@H+]1C	ZINC001066686803	999016608	/nfs/dbraw/zinc/01/66/08/999016608.db2.gz	BEXMCDLVNWDVHS-FGTMMUONSA-N	1	0	371.485	1.631	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncc(-n3ccnn3)c1)C2	ZINC001110858557	999055844	/nfs/dbraw/zinc/05/58/44/999055844.db2.gz	FZHJJQCILPUMDS-NXHRZFHOSA-N	1	0	368.441	1.200	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCCCC	ZINC001110863353	999072174	/nfs/dbraw/zinc/07/21/74/999072174.db2.gz	FYZZBDJMHUAURN-WWNBULGVSA-N	1	0	365.518	1.853	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC(C)C	ZINC001110863401	999072203	/nfs/dbraw/zinc/07/22/03/999072203.db2.gz	HRRJCBWZQDPCCE-PDOICOKGSA-N	1	0	365.518	1.709	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)CC1	ZINC000266638220	999207436	/nfs/dbraw/zinc/20/74/36/999207436.db2.gz	DRGRXNOPIBIWPZ-SFHVURJKSA-N	1	0	373.453	1.559	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(=O)N(C)OC)cc2)CC1	ZINC000267548941	999358925	/nfs/dbraw/zinc/35/89/25/999358925.db2.gz	OYGXFPRVZAHYGR-UHFFFAOYSA-N	1	0	374.441	1.025	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)CC(=O)Nc2cc(OC)cc(OC)c2)CC1	ZINC000267707307	999383637	/nfs/dbraw/zinc/38/36/37/999383637.db2.gz	NGJOMMMXEXKQRM-UHFFFAOYSA-N	1	0	373.453	1.446	20	30		FDEDRO
C[C@H](O)C[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)c1ccccc1	ZINC000268460605	999440053	/nfs/dbraw/zinc/44/00/53/999440053.db2.gz	UHWZZSFTRDAGOH-FUHWJXTLSA-N	1	0	368.485	1.468	20	30		FDEDRO
C[C@H](O)C[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)c1ccccc1	ZINC000268460611	999440084	/nfs/dbraw/zinc/44/00/84/999440084.db2.gz	UHWZZSFTRDAGOH-WMZOPIPTSA-N	1	0	368.485	1.468	20	30		FDEDRO
N#CCOc1cccc(CC(=O)NCC2([NH+]3CCCC3)CCOCC2)c1	ZINC000270566188	999577902	/nfs/dbraw/zinc/57/79/02/999577902.db2.gz	RXZADGOSQDVVQK-UHFFFAOYSA-N	1	0	357.454	1.893	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)C(=O)N(C)CCC#N	ZINC000270570681	999578857	/nfs/dbraw/zinc/57/88/57/999578857.db2.gz	BFEZIPPONKGJGY-UXEPBGEESA-N	1	0	364.396	1.587	20	30		FDEDRO
COc1ccc(C[C@@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1OC	ZINC000271447033	999702751	/nfs/dbraw/zinc/70/27/51/999702751.db2.gz	HQYADGZNOFIKNE-LTFJSZEESA-N	1	0	359.426	1.751	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c(F)c1	ZINC000283125857	999740894	/nfs/dbraw/zinc/74/08/94/999740894.db2.gz	CCWRODXJHYMTSG-UHFFFAOYSA-N	1	0	362.380	1.579	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000283304336	999748217	/nfs/dbraw/zinc/74/82/17/999748217.db2.gz	FAZFKRAELZWVSO-QRVBRYPASA-N	1	0	371.481	1.475	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1	ZINC000284280858	999796447	/nfs/dbraw/zinc/79/64/47/999796447.db2.gz	WRQIFUPTPLTUPF-UHFFFAOYSA-N	1	0	372.513	1.658	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCc3c2cnn3C)CC1	ZINC000284570105	999851412	/nfs/dbraw/zinc/85/14/12/999851412.db2.gz	WUZZXVBZHXJWKX-MRXNPFEDSA-N	1	0	359.474	1.070	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1	ZINC000284942023	999885718	/nfs/dbraw/zinc/88/57/18/999885718.db2.gz	JKVSOTLCJGIZOP-QZTJIDSGSA-N	1	0	359.470	1.332	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000286106532	999939303	/nfs/dbraw/zinc/93/93/03/999939303.db2.gz	UFJHOEGNAZIPON-UYAOXDASSA-N	1	0	356.514	1.569	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccc(OC)cc2)CC1	ZINC000286451386	999944491	/nfs/dbraw/zinc/94/44/91/999944491.db2.gz	HOHFEDIZHZXAKI-UHFFFAOYSA-N	1	0	359.470	1.810	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCO[C@H](c3ccccc3)C2)CC1	ZINC000286482957	999944791	/nfs/dbraw/zinc/94/47/91/999944791.db2.gz	JHHARDYWWAXMLM-SFHVURJKSA-N	1	0	357.454	1.353	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)Oc2cccc(F)c2)CC1	ZINC000286495039	999944821	/nfs/dbraw/zinc/94/48/21/999944821.db2.gz	KBOYSPDIDPASJE-AWEZNQCLSA-N	1	0	363.433	1.476	20	30		FDEDRO
C=CCOc1ccc(CNC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1	ZINC000286692278	999946317	/nfs/dbraw/zinc/94/63/17/999946317.db2.gz	NJHBIEWLQHLSSG-KRWDZBQOSA-N	1	0	360.502	1.934	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(Cc2ccc(OC)cc2)C2CC2)CC1	ZINC000286803095	999951113	/nfs/dbraw/zinc/95/11/13/999951113.db2.gz	VCJUTJHCIHVQMH-UHFFFAOYSA-N	1	0	371.481	1.953	20	30		FDEDRO
CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N(C)[C@@H](C)CC#N)c1	ZINC000287809859	999962380	/nfs/dbraw/zinc/96/23/80/999962380.db2.gz	OYLUYEBXMLAMEN-AWEZNQCLSA-N	1	0	373.457	1.666	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)NCCn2cnc(C#N)n2)CC[N@@H+]1Cc1ccccc1	ZINC000287986661	999979370	/nfs/dbraw/zinc/97/93/70/999979370.db2.gz	WVHQGCIVOMULPD-ZBFHGGJFSA-N	1	0	353.430	1.112	20	30		FDEDRO
CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N(C)CCC#N)c1	ZINC000288129156	999989127	/nfs/dbraw/zinc/98/91/27/999989127.db2.gz	QAFUHMDYDZEBGH-UHFFFAOYSA-N	1	0	359.430	1.277	20	30		FDEDRO
C=CCNC(=O)CNC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1	ZINC000288371605	1000012017	/nfs/dbraw/zinc/01/20/17/1000012017.db2.gz	FAMFVCNUGKMUPX-UHFFFAOYSA-N	1	0	355.442	1.144	20	30		FDEDRO
C[NH+](C)CCCOc1cnccc1CNS(=O)(=O)c1cccc(C#N)c1	ZINC000288684859	1000037468	/nfs/dbraw/zinc/03/74/68/1000037468.db2.gz	UTUXJVIGZNIEBN-UHFFFAOYSA-N	1	0	374.466	1.762	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1	ZINC000288951805	1000062639	/nfs/dbraw/zinc/06/26/39/1000062639.db2.gz	OXZFWBAQJSXAPV-WMZOPIPTSA-N	1	0	355.482	1.985	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1	ZINC000124525327	1000091813	/nfs/dbraw/zinc/09/18/13/1000091813.db2.gz	HPQCUQRDCHGHKH-OAHLLOKOSA-N	1	0	360.458	1.355	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000289455443	1000100316	/nfs/dbraw/zinc/10/03/16/1000100316.db2.gz	UHHMMVHBJSDRFS-KDURUIRLSA-N	1	0	371.481	1.286	20	30		FDEDRO
CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)cc1	ZINC000289520928	1000104083	/nfs/dbraw/zinc/10/40/83/1000104083.db2.gz	HBXUECWMKQTTPY-YLJYHZDGSA-N	1	0	369.469	1.989	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@](C)(O)Cc2ccc(OC)c(OC)c2)CC1	ZINC000291760845	1000196186	/nfs/dbraw/zinc/19/61/86/1000196186.db2.gz	DBQDRXLIYRBVND-OAQYLSRUSA-N	1	0	374.481	1.459	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CON(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1	ZINC000927343416	1000783116	/nfs/dbraw/zinc/78/31/16/1000783116.db2.gz	WITGFQGCYJALPC-CQSZACIVSA-N	1	0	366.462	1.276	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CC[NH2+]C[C@H]3C(C)C)cc21	ZINC000927805573	1001065608	/nfs/dbraw/zinc/06/56/08/1001065608.db2.gz	BNBXWDHCZMNHMG-KRWDZBQOSA-N	1	0	355.442	1.617	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c1	ZINC000927843003	1001100161	/nfs/dbraw/zinc/10/01/61/1001100161.db2.gz	UQSWGCOMNDOIPG-OLZOCXBDSA-N	1	0	354.332	1.543	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)ccc1Cl	ZINC000927845911	1001107335	/nfs/dbraw/zinc/10/73/35/1001107335.db2.gz	AIGNPVNTMBMHPU-CMPLNLGQSA-N	1	0	374.750	1.888	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)cc1C(F)(F)F	ZINC000927885325	1001180577	/nfs/dbraw/zinc/18/05/77/1001180577.db2.gz	DEWNXZVZBOVGSZ-SNVBAGLBSA-N	1	0	354.332	1.713	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cc(Br)c(C)n(C)c2=O)CC1	ZINC000928653037	1001610601	/nfs/dbraw/zinc/61/06/01/1001610601.db2.gz	WJYAKBZTVGIDRI-UHFFFAOYSA-N	1	0	366.259	1.284	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1	ZINC000928656305	1001611808	/nfs/dbraw/zinc/61/18/08/1001611808.db2.gz	RJTZEOIUUOWGEH-KRWDZBQOSA-N	1	0	359.857	1.907	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C2CCN(Cc3csc(C)n3)CC2)CC1	ZINC000928657847	1001613349	/nfs/dbraw/zinc/61/33/49/1001613349.db2.gz	BHNRSVGMVFCHPN-UHFFFAOYSA-N	1	0	360.527	1.877	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)CC1	ZINC000928658301	1001613792	/nfs/dbraw/zinc/61/37/92/1001613792.db2.gz	FORXFQSXNBDWBH-UHFFFAOYSA-N	1	0	356.426	1.431	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)CC1	ZINC000928658590	1001613842	/nfs/dbraw/zinc/61/38/42/1001613842.db2.gz	NPWUNWCOFGIKGV-UHFFFAOYSA-N	1	0	363.483	1.201	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)CC1	ZINC000928659653	1001615364	/nfs/dbraw/zinc/61/53/64/1001615364.db2.gz	WCMYJOQPRURMSA-KRWDZBQOSA-N	1	0	353.466	1.870	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@]2(C)CCCN(c3cncc(C#N)n3)C2)CC[N@@H+]1C	ZINC001110963711	1001797088	/nfs/dbraw/zinc/79/70/88/1001797088.db2.gz	KTNSYMPZEBRDQR-QKLQHJQFSA-N	1	0	370.501	1.801	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@]2(C)CCCN(c3cnc(C#N)cn3)C2)CC[N@@H+]1C	ZINC001110963937	1001799778	/nfs/dbraw/zinc/79/97/78/1001799778.db2.gz	QQDAHAHQRXRUII-QKLQHJQFSA-N	1	0	370.501	1.801	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)cc1C#N	ZINC000929292835	1001908298	/nfs/dbraw/zinc/90/82/98/1001908298.db2.gz	HSAQPQZYWLRKQP-UHFFFAOYSA-N	1	0	356.470	1.720	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)CC1	ZINC000929417582	1002028280	/nfs/dbraw/zinc/02/82/80/1002028280.db2.gz	BOZRXXNWOXEVTN-NVXWUHKLSA-N	1	0	363.502	1.951	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)C[C@H]2C)CC1	ZINC000948196115	1002169265	/nfs/dbraw/zinc/16/92/65/1002169265.db2.gz	ZYXRVAUPXCEINA-FTWQHDNSSA-N	1	0	357.498	1.341	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC000948458326	1002362084	/nfs/dbraw/zinc/36/20/84/1002362084.db2.gz	JOBFGEAFUKNMPS-UWWQBHOKSA-N	1	0	371.485	1.726	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1C#N	ZINC000929782680	1002434428	/nfs/dbraw/zinc/43/44/28/1002434428.db2.gz	QPBSECVGLMVFCJ-MRXNPFEDSA-N	1	0	356.470	1.720	20	30		FDEDRO
C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC000948774602	1002661558	/nfs/dbraw/zinc/66/15/58/1002661558.db2.gz	AXQZVTOCMCOTQF-IXDOHACOSA-N	1	0	351.491	1.511	20	30		FDEDRO
C#CC1(O)CN(C(=O)Nc2ccc(OC)c(OCC[NH+](CC)CC)c2)C1	ZINC000930062624	1002777636	/nfs/dbraw/zinc/77/76/36/1002777636.db2.gz	NJKNTBRNNGBOHO-UHFFFAOYSA-N	1	0	361.442	1.628	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[NH+]2CCC(N3CCCNC3=O)CC2)cc1	ZINC000930063505	1002779465	/nfs/dbraw/zinc/77/94/65/1002779465.db2.gz	HKLQQDPEWAXQEQ-UHFFFAOYSA-N	1	0	354.454	1.876	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1	ZINC000966002323	1016695077	/nfs/dbraw/zinc/69/50/77/1016695077.db2.gz	VQTSQXLIKPJQJW-AVEIZBFRSA-N	1	0	363.502	1.415	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCCc1ccc2[nH]ccc2c1)C1CC[NH+](C)CC1	ZINC000930233660	1002952703	/nfs/dbraw/zinc/95/27/03/1002952703.db2.gz	TYCPOWXOPZQXDK-UHFFFAOYSA-N	1	0	366.465	1.383	20	30		FDEDRO
CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1cncn1C)CCO2	ZINC000949194351	1003082058	/nfs/dbraw/zinc/08/20/58/1003082058.db2.gz	RITACWQLPHPBST-IAGOWNOFSA-N	1	0	356.470	1.240	20	30		FDEDRO
C#Cc1ccc(NC(=O)CC[NH+]2CCC(CNS(C)(=O)=O)CC2)cc1	ZINC000930448755	1003145923	/nfs/dbraw/zinc/14/59/23/1003145923.db2.gz	IKQSQKHTWJBBAC-UHFFFAOYSA-N	1	0	363.483	1.258	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)C1CC[NH+](C)CC1	ZINC000930569198	1003278573	/nfs/dbraw/zinc/27/85/73/1003278573.db2.gz	BRCMGPABNGMYRN-KURKYZTESA-N	1	0	373.497	1.006	20	30		FDEDRO
C=C(C)C[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)CC2)C1	ZINC000949423598	1003329630	/nfs/dbraw/zinc/32/96/30/1003329630.db2.gz	GDWLLKTWDHUCBK-IAGOWNOFSA-N	1	0	358.486	1.793	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1	ZINC000949484349	1003387856	/nfs/dbraw/zinc/38/78/56/1003387856.db2.gz	GZOSCUHGBLFTJH-JQHSSLGASA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCC[C@]1(C)C[C@]1(F)Cl)C1CC[NH+](C)CC1	ZINC000930938594	1003682330	/nfs/dbraw/zinc/68/23/30/1003682330.db2.gz	PQDCRYCANUDMBF-IAGOWNOFSA-N	1	0	357.857	1.363	20	30		FDEDRO
C#CC1(O)CC[NH+](CCC(=O)Nc2ccccc2C(=O)NC2CC2)CC1	ZINC000931146113	1003922890	/nfs/dbraw/zinc/92/28/90/1003922890.db2.gz	KDFDMCAWXLQACV-UHFFFAOYSA-N	1	0	355.438	1.368	20	30		FDEDRO
C#CC1(O)CCN([C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000931148071	1003924030	/nfs/dbraw/zinc/92/40/30/1003924030.db2.gz	PVCSZANRSMCZOZ-MJGOQNOKSA-N	1	0	355.482	1.226	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)CN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1	ZINC000931488934	1004206818	/nfs/dbraw/zinc/20/68/18/1004206818.db2.gz	ZJGNHPTXPXGNMZ-OALUTQOASA-N	1	0	351.454	1.601	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccnc(OCC(F)(F)F)n2)CC1	ZINC000931696522	1004423139	/nfs/dbraw/zinc/42/31/39/1004423139.db2.gz	NGFLBCUOBXQPGS-UHFFFAOYSA-N	1	0	357.336	1.637	20	30		FDEDRO
C[C@]1([C@@H]2CCC[N@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)COC(=O)N1	ZINC000932016712	1004708438	/nfs/dbraw/zinc/70/84/38/1004708438.db2.gz	GDTCBFYFOGAJEU-FUHIMQAGSA-N	1	0	373.453	1.703	20	30		FDEDRO
C[C@]1([C@@H]2CCC[N@@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)COC(=O)N1	ZINC000932025087	1004715631	/nfs/dbraw/zinc/71/56/31/1004715631.db2.gz	WOXXMEVIOMNCCI-WRWLIDTKSA-N	1	0	368.437	1.874	20	30		FDEDRO
C[C@]1(C2CC[NH+](C[C@H](O)COc3ccc(CC#N)cc3)CC2)COC(=O)N1	ZINC000932088529	1004762944	/nfs/dbraw/zinc/76/29/44/1004762944.db2.gz	FHHRQIOSWPAHAJ-FXAWDEMLSA-N	1	0	373.453	1.703	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C2(n3cc(Br)cn3)CC2)CC1	ZINC000932140779	1004791153	/nfs/dbraw/zinc/79/11/53/1004791153.db2.gz	IQQAZQBLGDSGGM-UHFFFAOYSA-N	1	0	353.264	1.901	20	30		FDEDRO
N#Cc1cc(NC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c(F)cc1F	ZINC000932208927	1004831034	/nfs/dbraw/zinc/83/10/34/1004831034.db2.gz	KOEMPVAKURHRHF-JKSUJKDBSA-N	1	0	350.369	1.899	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1ccc2c(c1)C[C@H](C)O2)C1CC[NH+](C)CC1	ZINC000932289421	1004881444	/nfs/dbraw/zinc/88/14/44/1004881444.db2.gz	LJUPVGQDXIPGOL-HNNXBMFYSA-N	1	0	369.465	1.182	20	30		FDEDRO
COC(C)(C)[C@@H](C)[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000932370775	1004928702	/nfs/dbraw/zinc/92/87/02/1004928702.db2.gz	PHWAYXAYWTXDGZ-HUUCEWRRSA-N	1	0	364.515	1.860	20	30		FDEDRO
CN1CC[NH+](CC2CCN(C(=O)C3(C#N)CCSCC3)CC2)CC1	ZINC000932437707	1004958617	/nfs/dbraw/zinc/95/86/17/1004958617.db2.gz	DXTONPCAZTYUQF-UHFFFAOYSA-N	1	0	350.532	1.509	20	30		FDEDRO
COc1ncc(NC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1C#N	ZINC000932512897	1004995707	/nfs/dbraw/zinc/99/57/07/1004995707.db2.gz	AVQGLBPFYANQBD-RHSMWYFYSA-N	1	0	372.473	1.452	20	30		FDEDRO
COc1ncc(NC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)cc1C#N	ZINC000932519875	1004998384	/nfs/dbraw/zinc/99/83/84/1004998384.db2.gz	RLABWQSCIPGNEK-UHFFFAOYSA-N	1	0	359.430	1.538	20	30		FDEDRO
C[NH+](C)CCNC(=O)Nc1ccc(C#N)cc1I	ZINC000932551787	1005010056	/nfs/dbraw/zinc/01/00/56/1005010056.db2.gz	UXPMVNCRSUDMOK-UHFFFAOYSA-N	1	0	358.183	1.846	20	30		FDEDRO
CCOC(=O)C1(C(F)(F)F)CC[NH+](CCC(=O)N(C)CCC#N)CC1	ZINC000932655295	1005069470	/nfs/dbraw/zinc/06/94/70/1005069470.db2.gz	DOGKPFRJQDQIOK-UHFFFAOYSA-N	1	0	363.380	1.956	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CN(C)C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000966882718	1016941570	/nfs/dbraw/zinc/94/15/70/1016941570.db2.gz	BIFPPMQNZYVGTL-HLLBOEOZSA-N	1	0	371.485	1.537	20	30		FDEDRO
C#CCNC(=O)CC[N@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1	ZINC000932815625	1005194679	/nfs/dbraw/zinc/19/46/79/1005194679.db2.gz	GAFPNCHSYSVQAB-KRWDZBQOSA-N	1	0	365.271	1.872	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(CO)(C(F)(F)F)CC2)cc1	ZINC000932822078	1005198219	/nfs/dbraw/zinc/19/82/19/1005198219.db2.gz	MZVOEMOHQDUONA-AWEZNQCLSA-N	1	0	358.360	1.935	20	30		FDEDRO
N#CC[C@@H](NC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C(F)(F)F	ZINC000932893614	1005233868	/nfs/dbraw/zinc/23/38/68/1005233868.db2.gz	NLGRWNVLDIPRNP-LSDHHAIUSA-N	1	0	370.375	1.897	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccc3cnn(CC(=O)OC)c3c2)CC1	ZINC000933038218	1005323798	/nfs/dbraw/zinc/32/37/98/1005323798.db2.gz	BABXVJWFLBAZMT-UHFFFAOYSA-N	1	0	369.425	1.428	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[NH+]2CCC(CN3CCNC3=O)CC2)cc1	ZINC000933585724	1005583622	/nfs/dbraw/zinc/58/36/22/1005583622.db2.gz	QJBGISCTZDLBMH-UHFFFAOYSA-N	1	0	355.442	1.624	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)CN3CCO[C@](C)(C#N)C3)cc2)CC1	ZINC000933593840	1005586106	/nfs/dbraw/zinc/58/61/06/1005586106.db2.gz	DLBQYYCPULUEEF-HXUWFJFHSA-N	1	0	371.485	1.381	20	30		FDEDRO
C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCO[C@@](C)(C#N)C1	ZINC000933603082	1005587815	/nfs/dbraw/zinc/58/78/15/1005587815.db2.gz	FTWHBMDVJXSSIJ-KPFFTGBYSA-N	1	0	356.470	1.380	20	30		FDEDRO
CN1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@H+](C)CC1	ZINC000933993531	1005674428	/nfs/dbraw/zinc/67/44/28/1005674428.db2.gz	WSDJGBLVRPLDBM-IBGZPJMESA-N	1	0	355.486	1.233	20	30		FDEDRO
N#Cc1ccc(NC(=O)C[NH2+]C2(C(=O)N3CCOCC3)CCCCC2)cc1	ZINC000934057611	1005683197	/nfs/dbraw/zinc/68/31/97/1005683197.db2.gz	NBWGULCWGAAQJS-UHFFFAOYSA-N	1	0	370.453	1.648	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCC1(OC)CCCCCC1)C1CC[NH+](C)CC1	ZINC000934160763	1005703315	/nfs/dbraw/zinc/70/33/15/1005703315.db2.gz	ASRAKYYANNUNJX-UHFFFAOYSA-N	1	0	363.502	1.398	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnnn1-c1ccccc1)C2	ZINC001111073404	1005739006	/nfs/dbraw/zinc/73/90/06/1005739006.db2.gz	JHPCDOZCFYBSNM-KURKYZTESA-N	1	0	367.453	1.805	20	30		FDEDRO
CN(C)[S@@](C)(=O)=NCC1CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1	ZINC000934746597	1005790471	/nfs/dbraw/zinc/79/04/71/1005790471.db2.gz	FZZQVEBGSJBXMF-GYCJOSAFSA-N	1	0	356.536	1.718	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C2	ZINC001111098434	1005926152	/nfs/dbraw/zinc/92/61/52/1005926152.db2.gz	DFDWTPMKJRIEDA-ZJPYXAASSA-N	1	0	362.518	1.273	20	30		FDEDRO
CC(=O)NCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#Cc1ccccc1	ZINC001111130982	1006345392	/nfs/dbraw/zinc/34/53/92/1006345392.db2.gz	RIEBFAULEUGUMU-AQNXPRMDSA-N	1	0	367.493	1.922	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1	ZINC000954378539	1006646553	/nfs/dbraw/zinc/64/65/53/1006646553.db2.gz	SIFHLPFTQOBYHF-BZSNNMDCSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C1	ZINC000954405237	1006723167	/nfs/dbraw/zinc/72/31/67/1006723167.db2.gz	XZTWYNAGXPBQTR-KURKYZTESA-N	1	0	363.502	1.511	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCc2ccccc21)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000155810292	1006726321	/nfs/dbraw/zinc/72/63/21/1006726321.db2.gz	DXXXJAFOOSVXEV-INIZCTEOSA-N	1	0	366.469	1.374	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000954774046	1007016739	/nfs/dbraw/zinc/01/67/39/1007016739.db2.gz	BFSWBSPBDHZPNU-MSOLQXFVSA-N	1	0	368.437	1.598	20	30		FDEDRO
C[C@@]1(NC(=O)c2ccc(C#N)[nH]2)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1	ZINC000956832718	1007191118	/nfs/dbraw/zinc/19/11/18/1007191118.db2.gz	IMXHSZJFPLHBOA-SNUQEOBHSA-N	1	0	352.398	1.134	20	30		FDEDRO
COC[C@@H]1CCCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1	ZINC000246691980	1007328057	/nfs/dbraw/zinc/32/80/57/1007328057.db2.gz	HVZCXZKNRAKHOT-DNVCBOLYSA-N	1	0	356.426	1.641	20	30		FDEDRO
CN(C)C(=O)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)CC1	ZINC001111264142	1007352836	/nfs/dbraw/zinc/35/28/36/1007352836.db2.gz	MWGDWPYSWLGFSE-KURKYZTESA-N	1	0	366.465	1.648	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc(OC(C)C)c1)C2	ZINC001111266802	1007384408	/nfs/dbraw/zinc/38/44/08/1007384408.db2.gz	RDLINLZQWLAXRY-ZACQAIPSSA-N	1	0	372.469	1.506	20	30		FDEDRO
C=C(Cl)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)C2	ZINC001095784099	1007393075	/nfs/dbraw/zinc/39/30/75/1007393075.db2.gz	BNHIDXKLFZOPIE-TUBVSAOGSA-N	1	0	351.878	1.324	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1	ZINC000955411185	1007449118	/nfs/dbraw/zinc/44/91/18/1007449118.db2.gz	SCJDOOIVHNWHSQ-OLMNPRSZSA-N	1	0	354.454	1.161	20	30		FDEDRO
C#CCCOc1ccc(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1	ZINC000093046963	1007510578	/nfs/dbraw/zinc/51/05/78/1007510578.db2.gz	IHSIAQIJZUPTLM-UHFFFAOYSA-N	1	0	355.482	1.829	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@](C)(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)c1	ZINC000957016547	1007544985	/nfs/dbraw/zinc/54/49/85/1007544985.db2.gz	VJMQQBNEKZMPKR-WAOWUJCRSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1	ZINC000947507381	1007656763	/nfs/dbraw/zinc/65/67/63/1007656763.db2.gz	MQJKYIYUKKIFLQ-AYBZRNKSSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC000956035440	1007793928	/nfs/dbraw/zinc/79/39/28/1007793928.db2.gz	ISALSHHHZPCQIL-IXDOHACOSA-N	1	0	358.486	1.735	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)nn1	ZINC000648833681	1008667257	/nfs/dbraw/zinc/66/72/57/1008667257.db2.gz	WCZWMPPFOSTOFE-IRXDYDNUSA-N	1	0	355.442	1.077	20	30		FDEDRO
CNC(=O)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)CCC1	ZINC001111303045	1008723483	/nfs/dbraw/zinc/72/34/83/1008723483.db2.gz	QGHYLVKLZBPIKM-KURKYZTESA-N	1	0	366.465	1.696	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)C[N@@H+]1CCC(C)(C)C1	ZINC000950216976	1008867465	/nfs/dbraw/zinc/86/74/65/1008867465.db2.gz	UQXJBEHGZGJDIR-BQFCYCMXSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1	ZINC000950432606	1009167105	/nfs/dbraw/zinc/16/71/05/1009167105.db2.gz	VPRJCFDHEVAFOZ-KZNAEPCWSA-N	1	0	359.514	1.731	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CC1	ZINC000950432625	1009167775	/nfs/dbraw/zinc/16/77/75/1009167775.db2.gz	VXDUUKHCOFXKQY-ZGXWSNOMSA-N	1	0	371.525	1.875	20	30		FDEDRO
C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1	ZINC000959947556	1009183433	/nfs/dbraw/zinc/18/34/33/1009183433.db2.gz	ASEBENJPULDHHN-ZBRFXRBCSA-N	1	0	367.921	1.532	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@H]21	ZINC000959948280	1009184280	/nfs/dbraw/zinc/18/42/80/1009184280.db2.gz	TXEYJGQVLSWRMT-SLHNCBLASA-N	1	0	356.466	1.707	20	30		FDEDRO
CC(C)[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)N1CCOCC1	ZINC000303771947	1009574298	/nfs/dbraw/zinc/57/42/98/1009574298.db2.gz	DCBCJDAOKBCMJM-INIZCTEOSA-N	1	0	362.474	1.931	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2C(N)=O)c1	ZINC000960138192	1009579840	/nfs/dbraw/zinc/57/98/40/1009579840.db2.gz	WJQAFDGSNCFBMM-XHSDSOJGSA-N	1	0	358.417	1.289	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCCc2nc(C(C)C)no2)CC1	ZINC000303867551	1009644717	/nfs/dbraw/zinc/64/47/17/1009644717.db2.gz	CYSBNFURFWUFIS-UHFFFAOYSA-N	1	0	366.466	1.651	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NCc1cccnc1OC1CCCC1	ZINC000303884216	1009671950	/nfs/dbraw/zinc/67/19/50/1009671950.db2.gz	JADBKZMSBNRGTE-UHFFFAOYSA-N	1	0	361.490	1.400	20	30		FDEDRO
CCCCCCNC(=[NH2+])NCCC(=O)N1CCN(c2ccccn2)CC1	ZINC000303976692	1009787496	/nfs/dbraw/zinc/78/74/96/1009787496.db2.gz	KISNEGWRJNFIPD-UHFFFAOYSA-N	1	0	360.506	1.605	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C	ZINC000950800717	1009857719	/nfs/dbraw/zinc/85/77/19/1009857719.db2.gz	UUNQBHPWPHUQMU-DDBAPUKQSA-N	1	0	363.502	1.273	20	30		FDEDRO
C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1	ZINC000647876197	1009977484	/nfs/dbraw/zinc/97/74/84/1009977484.db2.gz	RIQQEMPUNABZCM-HOCLYGCPSA-N	1	0	356.426	1.625	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1	ZINC000950982304	1010209898	/nfs/dbraw/zinc/20/98/98/1010209898.db2.gz	SXLLUNRAOSZJPI-ZACQAIPSSA-N	1	0	361.486	1.171	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC000950986818	1010220914	/nfs/dbraw/zinc/22/09/14/1010220914.db2.gz	HZNHDWQDJUFWPW-DJIMGWMZSA-N	1	0	354.454	1.124	20	30		FDEDRO
CC[NH+]=C(NCCc1nnc2ccccn21)N(C)CCC1CCOCC1	ZINC000305545704	1010287847	/nfs/dbraw/zinc/28/78/47/1010287847.db2.gz	ZOYSDVPWAMGIFR-UHFFFAOYSA-N	1	0	358.490	1.986	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@H]2OCCN(C(=O)C[N@@H+](C)C3CCC3)[C@H]2C1	ZINC000960532310	1010336212	/nfs/dbraw/zinc/33/62/12/1010336212.db2.gz	JPFIDKNTSIYNJV-DLBZAZTESA-N	1	0	363.502	1.511	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@H]2C)cc1	ZINC000959653226	1010351142	/nfs/dbraw/zinc/35/11/42/1010351142.db2.gz	LGOZIDDGIDOUNQ-JTDSTZFVSA-N	1	0	353.466	1.729	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@@H](CO)c2ccccc2)CC1	ZINC000304736940	1010475541	/nfs/dbraw/zinc/47/55/41/1010475541.db2.gz	AHFPHZWZHZEAEP-INIZCTEOSA-N	1	0	362.474	1.630	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]nc2CCC)C[C@H]1C	ZINC000951166088	1010530533	/nfs/dbraw/zinc/53/05/33/1010530533.db2.gz	OYINLZDNKBMAOF-OLMNPRSZSA-N	1	0	371.485	1.037	20	30		FDEDRO
CN(C)c1ccc(C(N)=[NH+]OCC(=O)NCCc2ccc(F)cc2)cc1	ZINC000079873862	1010707685	/nfs/dbraw/zinc/70/76/85/1010707685.db2.gz	UHSDISLWPZKLMC-UHFFFAOYSA-N	1	0	358.417	1.888	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC000951491963	1010880668	/nfs/dbraw/zinc/88/06/68/1010880668.db2.gz	MIMIDAKGHXVVQN-DJIMGWMZSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2ncnn2CC)C1	ZINC000962400435	1011231341	/nfs/dbraw/zinc/23/13/41/1011231341.db2.gz	IAFVWOLGFFQVME-OBQMCRIKSA-N	1	0	361.490	1.654	20	30		FDEDRO
C[N@@H+]1C[C@H](C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)[C@@H](c2ccccc2)C1	ZINC000952216553	1011497950	/nfs/dbraw/zinc/49/79/50/1011497950.db2.gz	NYYMNWWKYKYKQS-ZCNNSNEGSA-N	1	0	365.477	1.462	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC000963155106	1011932440	/nfs/dbraw/zinc/93/24/40/1011932440.db2.gz	PNXJONKPVOIVAV-MOIQIXESSA-N	1	0	369.469	1.432	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CCN(C(=O)c4ccc(C#N)[nH]4)C3)C2)CC[N@@H+]1C	ZINC000953152011	1012280644	/nfs/dbraw/zinc/28/06/44/1012280644.db2.gz	GIKIIABDBAZODM-AKCHCHLHSA-N	1	0	369.469	1.291	20	30		FDEDRO
C[NH+]=C(NCc1cnc(N(C)C)n1C)N1CCN(c2ccc(F)cc2)CC1	ZINC000087059854	1012404593	/nfs/dbraw/zinc/40/45/93/1012404593.db2.gz	JHCPAACZHFVNIP-UHFFFAOYSA-N	1	0	373.480	1.523	20	30		FDEDRO
N#Cc1cccc(C[NH2+]C2CC3(CC(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)c1	ZINC000963788287	1012697917	/nfs/dbraw/zinc/69/79/17/1012697917.db2.gz	OPNCBDYWNUZCTN-UOAXPGHYSA-N	1	0	354.410	1.740	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NC2CC(C[NH2+]Cc3cccc(C#N)c3)C2)C1	ZINC000961847367	1012936106	/nfs/dbraw/zinc/93/61/06/1012936106.db2.gz	AJQOVOKWWWXBDY-HELAGCTPSA-N	1	0	354.454	1.457	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cn1	ZINC000953976919	1013006348	/nfs/dbraw/zinc/00/63/48/1013006348.db2.gz	CQFPMEZQZRVFPA-DNVCBOLYSA-N	1	0	368.481	1.466	20	30		FDEDRO
C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[C@@H]3N3CCCC3=O)C2)C1	ZINC000963960509	1013011234	/nfs/dbraw/zinc/01/12/34/1013011234.db2.gz	DEUJJRZQBHLIOV-LOQRQRIXSA-N	1	0	357.498	1.818	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1ccccc1C#N)C2	ZINC000963962108	1013014779	/nfs/dbraw/zinc/01/47/79/1013014779.db2.gz	ZITOYASGNLIHIJ-NNXQFSIZSA-N	1	0	369.465	1.879	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2ccc(C#N)cc2C)CC1	ZINC000190907474	178030909	/nfs/dbraw/zinc/03/09/09/178030909.db2.gz	MVDDKVFJKSNRGW-HNNXBMFYSA-N	1	0	350.488	1.171	20	30		FDEDRO
C[NH+](C)CCn1ccc(NC(=O)Nc2cnn(-c3ncccc3C#N)c2)n1	ZINC000191668130	178065491	/nfs/dbraw/zinc/06/54/91/178065491.db2.gz	UTYHWBMKSHKARH-UHFFFAOYSA-N	1	0	365.401	1.541	20	30		FDEDRO
CC[NH+](CC)CCNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000192363643	178111279	/nfs/dbraw/zinc/11/12/79/178111279.db2.gz	YKNLBRBHPMABIH-QGZVFWFLSA-N	1	0	357.458	1.300	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000192749194	178130622	/nfs/dbraw/zinc/13/06/22/178130622.db2.gz	DBHSPDKEGLJIFG-AWEZNQCLSA-N	1	0	359.474	1.901	20	30		FDEDRO
C[C@@H](O)C[N@@H+]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](C)C1	ZINC000192826309	178134972	/nfs/dbraw/zinc/13/49/72/178134972.db2.gz	QSWOXMCJSALRRI-FRQCXROJSA-N	1	0	356.470	1.441	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000193009281	178142645	/nfs/dbraw/zinc/14/26/45/178142645.db2.gz	XNYITOLVHKOVJX-HNNXBMFYSA-N	1	0	371.485	1.998	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000193034517	178143142	/nfs/dbraw/zinc/14/31/42/178143142.db2.gz	JYQPYZLYZPWHQY-HNNXBMFYSA-N	1	0	355.442	1.526	20	30		FDEDRO
CC[NH+]1CCN(CCNS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1	ZINC000193879418	178186580	/nfs/dbraw/zinc/18/65/80/178186580.db2.gz	KQLFZDGQZPHYSV-UHFFFAOYSA-N	1	0	356.879	1.127	20	30		FDEDRO
C[C@H]([NH2+]C1(CNC(=O)NCC(=O)NCC#N)CCCC1)c1ccccc1	ZINC000511894722	538965242	/nfs/dbraw/zinc/96/52/42/538965242.db2.gz	DHOKKBKPQRPXMD-HNNXBMFYSA-N	1	0	357.458	1.589	20	30		FDEDRO
C[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(C#N)cc1F	ZINC000512613313	538977058	/nfs/dbraw/zinc/97/70/58/538977058.db2.gz	ROWZSYMUEOPEHP-GFCCVEGCSA-N	1	0	354.385	1.763	20	30		FDEDRO
COCC(=O)N1CCC([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1	ZINC000513679188	539002519	/nfs/dbraw/zinc/00/25/19/539002519.db2.gz	VMRROLGSOCTFKB-UHFFFAOYSA-N	1	0	356.470	1.754	20	30		FDEDRO
N#Cc1cccc(F)c1CC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000513684223	539002745	/nfs/dbraw/zinc/00/27/45/539002745.db2.gz	PJBVCLCZIAMMKX-NRFANRHFSA-N	1	0	367.424	1.993	20	30		FDEDRO
C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000262817734	178807327	/nfs/dbraw/zinc/80/73/27/178807327.db2.gz	ZVPWFKHHCPVZON-NOZJJQNGSA-N	1	0	358.261	1.597	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)NCCC[NH2+]Cc1cccnc1	ZINC000522010190	539531625	/nfs/dbraw/zinc/53/16/25/539531625.db2.gz	DPYJOCWEYPCZBH-UHFFFAOYSA-N	1	0	354.410	1.637	20	30		FDEDRO
N#Cc1cccc(NC(=O)C2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)c1	ZINC000264483889	179120013	/nfs/dbraw/zinc/12/00/13/179120013.db2.gz	VEBOLERIAOJTNG-GOSISDBHSA-N	1	0	353.426	1.466	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(CC(=O)NCc3cccnc3)CC2)cc1	ZINC000264605894	179145787	/nfs/dbraw/zinc/14/57/87/179145787.db2.gz	HFFSQGOWHOBXFM-UHFFFAOYSA-N	1	0	363.465	1.777	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CCCCOc1cccc(C#N)c1	ZINC000264727493	179179579	/nfs/dbraw/zinc/17/95/79/179179579.db2.gz	HIZOQQJCORVHOK-KRWDZBQOSA-N	1	0	358.486	1.859	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000265497869	179391754	/nfs/dbraw/zinc/39/17/54/179391754.db2.gz	HQJJVSYWBOMEMR-INIZCTEOSA-N	1	0	373.453	1.563	20	30		FDEDRO
Cc1noc(C)c1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000265524753	179398304	/nfs/dbraw/zinc/39/83/04/179398304.db2.gz	DHWRFGBHGUZKNY-UHFFFAOYSA-N	1	0	369.425	1.692	20	30		FDEDRO
N#Cc1cccc(CNC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1	ZINC000524992205	539675320	/nfs/dbraw/zinc/67/53/20/539675320.db2.gz	SXQVGYKPHMGLSP-NRFANRHFSA-N	1	0	364.449	1.994	20	30		FDEDRO
COc1cc(CNC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)ccc1C#N	ZINC000527951295	539721128	/nfs/dbraw/zinc/72/11/28/539721128.db2.gz	KDHHDKIAXKSOQN-UHFFFAOYSA-N	1	0	372.469	1.963	20	30		FDEDRO
COCCCn1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cn1	ZINC000528285912	539744871	/nfs/dbraw/zinc/74/48/71/539744871.db2.gz	ZPILYAXSJXTPHB-UHFFFAOYSA-N	1	0	369.469	1.995	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCC[C@H](C2OCCO2)C1	ZINC000528374046	539753934	/nfs/dbraw/zinc/75/39/34/539753934.db2.gz	UPRODLKCICQRHP-HNNXBMFYSA-N	1	0	354.406	1.371	20	30		FDEDRO
CC(=O)NCC1CC[NH+](CC#CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000528357745	539752282	/nfs/dbraw/zinc/75/22/82/539752282.db2.gz	LCWNEGNCUOKUEF-UHFFFAOYSA-N	1	0	353.422	1.134	20	30		FDEDRO
CON(C)C(=O)C1CC[NH+](CC#CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000528512627	539764414	/nfs/dbraw/zinc/76/44/14/539764414.db2.gz	ZLSOQEFDUNKTSH-UHFFFAOYSA-N	1	0	369.421	1.018	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)N1CCc2ccc(C#N)cc21)C[NH+]1CCCCC1	ZINC000270131990	180454072	/nfs/dbraw/zinc/45/40/72/180454072.db2.gz	BPLAQXMAYOLLCC-HNNXBMFYSA-N	1	0	354.454	1.686	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ccc(COC)c(C#N)c3)C2)CC1	ZINC000529212766	539811807	/nfs/dbraw/zinc/81/18/07/539811807.db2.gz	KFKSKDNVAWFMQU-LJQANCHMSA-N	1	0	371.485	1.948	20	30		FDEDRO
COCc1ccc(NCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1C#N	ZINC000530121282	539888838	/nfs/dbraw/zinc/88/88/38/539888838.db2.gz	PMHDYKPFTLZINV-LJQANCHMSA-N	1	0	374.485	1.590	20	30		FDEDRO
CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)[C@@H]1n1cccn1	ZINC000530233359	539916665	/nfs/dbraw/zinc/91/66/65/539916665.db2.gz	ICUIVDHSAKOZLF-JFRXWTBNSA-N	1	0	356.426	1.503	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)CNc1cccc(C[N@@H+]2CC[C@H](O)C2)c1	ZINC000530237695	539917597	/nfs/dbraw/zinc/91/75/97/539917597.db2.gz	IYZAAYMDNGXNJL-PMACEKPBSA-N	1	0	367.449	1.977	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCN(c2ccccc2)C1=O	ZINC000530229869	539914633	/nfs/dbraw/zinc/91/46/33/539914633.db2.gz	BAAWDPKHLVXULQ-ROUUACIJSA-N	1	0	351.406	1.693	20	30		FDEDRO
CC(C)OCCN1CCC([NH2+]C[C@H](O)COc2ccccc2C#N)CC1	ZINC000530230635	539915203	/nfs/dbraw/zinc/91/52/03/539915203.db2.gz	IGUQBPJDDXGBFU-IBGZPJMESA-N	1	0	361.486	1.777	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]C1CCN(Cc2ccncc2)CC1	ZINC000530232337	539915532	/nfs/dbraw/zinc/91/55/32/539915532.db2.gz	YHSTWLUWBCYAPE-FQEVSTJZSA-N	1	0	366.465	1.947	20	30		FDEDRO
CC(C)CC(=O)N1CCC([NH2+]C[C@@H](O)COc2ccccc2C#N)CC1	ZINC000530232052	539915894	/nfs/dbraw/zinc/91/58/94/539915894.db2.gz	WGCUWIPOPHCHTP-GOSISDBHSA-N	1	0	359.470	1.925	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1CCN(C(=O)CC)C1)C(C)C	ZINC000268571256	674092547	/nfs/dbraw/zinc/09/25/47/674092547.db2.gz	QHTGOGZYKBXSLU-SJORKVTESA-N	1	0	350.507	1.995	20	30		FDEDRO
C[NH+](C)CCCN(C(=O)Cc1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1	ZINC000531824344	540119142	/nfs/dbraw/zinc/11/91/42/540119142.db2.gz	UPZOPBCSJHTKAK-KRWDZBQOSA-N	1	0	363.483	1.068	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(c2cccc(C#N)n2)CC1)C[NH+]1CCCC1	ZINC000546895806	542253320	/nfs/dbraw/zinc/25/33/20/542253320.db2.gz	AIANEMYPTDGJHN-MRXNPFEDSA-N	1	0	356.474	1.517	20	30		FDEDRO
CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)C1	ZINC000533459072	540250663	/nfs/dbraw/zinc/25/06/63/540250663.db2.gz	VTJLEXAVUSATCO-OAHLLOKOSA-N	1	0	360.462	1.234	20	30		FDEDRO
CCN1CCOC[C@H]1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000534312083	540351533	/nfs/dbraw/zinc/35/15/33/540351533.db2.gz	HKWHXZJJGVJERD-IBGZPJMESA-N	1	0	356.470	1.313	20	30		FDEDRO
COCCNC(=O)[C@H]1CC[C@H](C)N(Cc2cccc(C(=O)OC)c2C#N)C1	ZINC000534487143	540372303	/nfs/dbraw/zinc/37/23/03/540372303.db2.gz	NUYAOGUQONGBEX-HOCLYGCPSA-N	1	0	373.453	1.708	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccnc(N3CCCCC3)n2)c1C#N	ZINC000535505793	540478722	/nfs/dbraw/zinc/47/87/22/540478722.db2.gz	WBIXRUFNFPBFHD-UHFFFAOYSA-N	1	0	368.445	1.466	20	30		FDEDRO
COC(=O)c1cccc(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)c1C#N	ZINC000535963929	540532476	/nfs/dbraw/zinc/53/24/76/540532476.db2.gz	OVFVBEDTULLHLU-UHFFFAOYSA-N	1	0	370.453	1.085	20	30		FDEDRO
C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000275377724	181303640	/nfs/dbraw/zinc/30/36/40/181303640.db2.gz	ZJBONMRMCBVOEK-FUHWJXTLSA-N	1	0	369.469	1.647	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cnc2c(c1)NC(=O)CO2)C(C)C	ZINC000537739908	540768911	/nfs/dbraw/zinc/76/89/11/540768911.db2.gz	VARVCAFFWHCTTA-INIZCTEOSA-N	1	0	358.442	1.841	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+]C2(CCO)CCCCC2)CC1	ZINC000539249269	540939881	/nfs/dbraw/zinc/93/98/81/540939881.db2.gz	YWLRSQPIJXVHLP-KRWDZBQOSA-N	1	0	350.507	1.354	20	30		FDEDRO
C[N@H+](CC(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1)[C@H]1CCSC1	ZINC000121768573	781940365	/nfs/dbraw/zinc/94/03/65/781940365.db2.gz	IDFQLYDWHOILFV-INIZCTEOSA-N	1	0	374.510	1.895	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1	ZINC000275641730	181375952	/nfs/dbraw/zinc/37/59/52/181375952.db2.gz	ARXGUIIIJLYDOZ-INIZCTEOSA-N	1	0	370.453	1.982	20	30		FDEDRO
CC[NH+]1CCN(CC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1	ZINC000543001074	541517200	/nfs/dbraw/zinc/51/72/00/541517200.db2.gz	CNFPJJPDASEQSI-UHFFFAOYSA-N	1	0	372.860	1.973	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC1CCC(C[NH+](C)C)CC1	ZINC000543753261	541653392	/nfs/dbraw/zinc/65/33/92/541653392.db2.gz	OMKUQQBDPAGDCP-UHFFFAOYSA-N	1	0	361.494	1.558	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1	ZINC000544882325	541850213	/nfs/dbraw/zinc/85/02/13/541850213.db2.gz	WQRIJEUAPVCGLQ-ROUUACIJSA-N	1	0	359.470	1.691	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1CCCCC1	ZINC000283402975	182174596	/nfs/dbraw/zinc/17/45/96/182174596.db2.gz	YECUNUYXNUBQNQ-UHFFFAOYSA-N	1	0	356.470	1.897	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1	ZINC000545294710	541927345	/nfs/dbraw/zinc/92/73/45/541927345.db2.gz	DQEZSZRVGRVCNL-MRXNPFEDSA-N	1	0	370.453	1.982	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1	ZINC000545295547	541928622	/nfs/dbraw/zinc/92/86/22/541928622.db2.gz	JUHCOUHDRBRQDI-MRXNPFEDSA-N	1	0	372.469	1.990	20	30		FDEDRO
C[NH+](C)Cc1cc(CNC(=O)C(=O)NCc2cccc(C#N)c2)ccc1F	ZINC000284188363	182393821	/nfs/dbraw/zinc/39/38/21/182393821.db2.gz	ZZHWSSAMXSLJDU-UHFFFAOYSA-N	1	0	368.412	1.692	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](C)n3cnc(C#N)n3)c(C)c2)CC1	ZINC000545966885	542060647	/nfs/dbraw/zinc/06/06/47/542060647.db2.gz	LYUUDIQZKHTBBG-OAHLLOKOSA-N	1	0	367.457	1.800	20	30		FDEDRO
CCS(=O)(=O)N(C)CCC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1	ZINC000285773626	182899986	/nfs/dbraw/zinc/89/99/86/182899986.db2.gz	SZBSAPSVQGSISD-UHFFFAOYSA-N	1	0	364.515	1.788	20	30		FDEDRO
C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000286458112	183071719	/nfs/dbraw/zinc/07/17/19/183071719.db2.gz	JNAMIPSUEMSDBI-OAHLLOKOSA-N	1	0	372.469	1.384	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1	ZINC000546709021	542205784	/nfs/dbraw/zinc/20/57/84/542205784.db2.gz	NDNNDIACPYDUIS-QGZVFWFLSA-N	1	0	362.455	1.059	20	30		FDEDRO
Cc1cc(C#N)nc(N2CCN(c3ccccc3OCC[NH+](C)C)CC2)n1	ZINC000287242703	183244289	/nfs/dbraw/zinc/24/42/89/183244289.db2.gz	JUYZPFGKZLETPJ-UHFFFAOYSA-N	1	0	366.469	1.924	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)C2)nc1	ZINC000291565214	183794879	/nfs/dbraw/zinc/79/48/79/183794879.db2.gz	CXZXXBNTSRTRCF-DOTOQJQBSA-N	1	0	355.442	1.600	20	30		FDEDRO
C[C@H]1CN(c2ncc(Br)cc2C#N)CC[N@@H+]1CC(C)(C)O	ZINC000294908790	184019095	/nfs/dbraw/zinc/01/90/95/184019095.db2.gz	HSRJYKGGUZPAPV-NSHDSACASA-N	1	0	353.264	1.997	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)Cc2ccc(F)cc2C#N)C[C@@H]1[NH+](C)C	ZINC000295141615	184037790	/nfs/dbraw/zinc/03/77/90/184037790.db2.gz	LAZBDHLXOXRTON-GJZGRUSLSA-N	1	0	357.476	1.505	20	30		FDEDRO
CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000295371321	184064150	/nfs/dbraw/zinc/06/41/50/184064150.db2.gz	PTVPAETVZAFNMF-IEBWSBKVSA-N	1	0	372.469	1.726	20	30		FDEDRO
N#Cc1cccc(-n2ccc(C(=O)N[C@@H]3CCC[N@@H+](CCCO)C3)n2)c1	ZINC000295511964	184079081	/nfs/dbraw/zinc/07/90/81/184079081.db2.gz	PZWRPNWDIRSISW-MRXNPFEDSA-N	1	0	353.426	1.321	20	30		FDEDRO
C[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@H](C)[N@H+]1C	ZINC000296850470	184206849	/nfs/dbraw/zinc/20/68/49/184206849.db2.gz	MEQOEUJBRGRBEM-RVKKMQEKSA-N	1	0	369.469	1.393	20	30		FDEDRO
C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N	ZINC000297429331	184270971	/nfs/dbraw/zinc/27/09/71/184270971.db2.gz	PGFNPQLBANZOSS-QGZVFWFLSA-N	1	0	366.487	1.285	20	30		FDEDRO
CS[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000297743681	184320487	/nfs/dbraw/zinc/32/04/87/184320487.db2.gz	HHXHTDOAZORWRE-KRWDZBQOSA-N	1	0	374.510	1.412	20	30		FDEDRO
CCN(CCC[NH+](C)C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000188880731	177892359	/nfs/dbraw/zinc/89/23/59/177892359.db2.gz	IWAZOWKSISDBSB-CQSZACIVSA-N	1	0	366.487	1.025	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)CC[N@H+](C)C3CCCCC3)CC2)c1C#N	ZINC000548392318	542654865	/nfs/dbraw/zinc/65/48/65/542654865.db2.gz	YRPGCWSWXVTSRL-UHFFFAOYSA-N	1	0	372.517	1.903	20	30		FDEDRO
COC(=O)CC1([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCCC1	ZINC000548427237	542664551	/nfs/dbraw/zinc/66/45/51/542664551.db2.gz	WMJUXHFSYMNDLU-UHFFFAOYSA-N	1	0	350.440	1.797	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccc(C#N)cc1	ZINC000548930868	542809191	/nfs/dbraw/zinc/80/91/91/542809191.db2.gz	BEWRHLLBKGXEQQ-GFCCVEGCSA-N	1	0	358.423	1.495	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(C#N)cc1	ZINC000548937193	542810805	/nfs/dbraw/zinc/81/08/05/542810805.db2.gz	WMRQPTNRGZEUGW-OAHLLOKOSA-N	1	0	366.421	1.786	20	30		FDEDRO
CN1CCN(C(=O)c2cnn3c2C[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)CC3)CC1	ZINC000549549209	542897962	/nfs/dbraw/zinc/89/79/62/542897962.db2.gz	NBFJTHTZKWDZRJ-GVDBMIGSSA-N	1	0	370.501	1.115	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1	ZINC000549936051	542971822	/nfs/dbraw/zinc/97/18/22/542971822.db2.gz	JPMBBNKLEYJQGD-SJORKVTESA-N	1	0	359.518	1.777	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCOC(C)(C)[C@H]1C)C(C)C	ZINC000550838156	543184328	/nfs/dbraw/zinc/18/43/28/543184328.db2.gz	BFSNYPFFLXEKDK-IAGOWNOFSA-N	1	0	365.518	1.827	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCO[C@@H]2CCCC[C@H]2C)CC1	ZINC000551144091	543240864	/nfs/dbraw/zinc/24/08/64/543240864.db2.gz	UJATVHZAVJYAOF-NVXWUHKLSA-N	1	0	351.491	1.465	20	30		FDEDRO
CN(CC(C)(C)C#N)C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1	ZINC000551846623	543352906	/nfs/dbraw/zinc/35/29/06/543352906.db2.gz	YHHSOZQZMOYRIK-UHFFFAOYSA-N	1	0	371.485	1.381	20	30		FDEDRO
C=CCOCC(=O)N1CCC(CC(=O)N2CCC([NH+](C)C)CC2)CC1	ZINC000552445566	543468112	/nfs/dbraw/zinc/46/81/12/543468112.db2.gz	YJJJYLVLSWNJDA-UHFFFAOYSA-N	1	0	351.491	1.370	20	30		FDEDRO
CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1	ZINC000553096717	543568772	/nfs/dbraw/zinc/56/87/72/543568772.db2.gz	AGVXFIIENHFMDB-INIZCTEOSA-N	1	0	371.485	1.312	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H](N2CC[NH+](C[C@@H]3CCOC3)CC2)C1=O	ZINC000083250090	172203926	/nfs/dbraw/zinc/20/39/26/172203926.db2.gz	VISCDNIECHSMRA-HOCLYGCPSA-N	1	0	360.483	1.379	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(CC[NH+](C)C)Cc1ccco1	ZINC000088230173	172231173	/nfs/dbraw/zinc/23/11/73/172231173.db2.gz	CHVWSRQMCHJSSM-UHFFFAOYSA-N	1	0	370.453	1.979	20	30		FDEDRO
C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1	ZINC000091245660	172281848	/nfs/dbraw/zinc/28/18/48/172281848.db2.gz	JHDUMPOFKBVHCK-UONOGXRCSA-N	1	0	360.462	1.437	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000098030286	172330728	/nfs/dbraw/zinc/33/07/28/172330728.db2.gz	ZPKMQOAQUKEAII-IAGOWNOFSA-N	1	0	370.501	1.905	20	30		FDEDRO
COCC[N@H+](C)CCNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000104801086	172386224	/nfs/dbraw/zinc/38/62/24/172386224.db2.gz	PGCJZUXJOGSPFC-UHFFFAOYSA-N	1	0	360.458	1.689	20	30		FDEDRO
C[N@H+](CCCO)C1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1	ZINC000119709172	172764671	/nfs/dbraw/zinc/76/46/71/172764671.db2.gz	QKYLXTFIXBNQRH-UHFFFAOYSA-N	1	0	371.890	1.679	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CNC(=O)C(=O)Nc2cccc(C#N)c2)cc1	ZINC000120773485	172817336	/nfs/dbraw/zinc/81/73/36/172817336.db2.gz	DYCPUOMTGRVJPB-UHFFFAOYSA-N	1	0	366.421	1.754	20	30		FDEDRO
C[C@H]1CCC[N@H+](CCNC(=O)N2CCN(c3ncccc3C#N)CC2)C1	ZINC000127069162	173063551	/nfs/dbraw/zinc/06/35/51/173063551.db2.gz	WHBUNOPATDNHOV-INIZCTEOSA-N	1	0	356.474	1.517	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C[N@@H+]1C1CC1	ZINC000175556576	174012282	/nfs/dbraw/zinc/01/22/82/174012282.db2.gz	GDILLVNLQLAGQX-ZBFHGGJFSA-N	1	0	354.458	1.410	20	30		FDEDRO
Cc1csc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1	ZINC000175888236	174034296	/nfs/dbraw/zinc/03/42/96/174034296.db2.gz	QLTYXZLXKRNJCB-UHFFFAOYSA-N	1	0	371.466	1.852	20	30		FDEDRO
CC(C)CC[NH+]1CCC(CNS(=O)(=O)c2ccc(C#N)nc2)CC1	ZINC000175899668	174035602	/nfs/dbraw/zinc/03/56/02/174035602.db2.gz	SVFWGGRGSBJWCA-UHFFFAOYSA-N	1	0	350.488	1.990	20	30		FDEDRO
CC[C@H]1CN([C@@H]2CCN(c3sccc3C#N)C2=O)CC[N@@H+]1CCOC	ZINC000177054930	174104369	/nfs/dbraw/zinc/10/43/69/174104369.db2.gz	UXGSFKXPDOJQDG-JKSUJKDBSA-N	1	0	362.499	1.768	20	30		FDEDRO
COCC[NH+]1CCC(N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000179995809	258360796	/nfs/dbraw/zinc/36/07/96/258360796.db2.gz	SQJFIHRURWGGOQ-IBGZPJMESA-N	1	0	356.470	1.754	20	30		FDEDRO
CCNC(=O)N1CC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000180296130	258366297	/nfs/dbraw/zinc/36/62/97/258366297.db2.gz	RORULSHHUIZKRB-QGZVFWFLSA-N	1	0	352.442	1.852	20	30		FDEDRO
Cc1oc(NC(=O)[C@H](C)N2CC[NH+](C[C@H]3CCOC3)CC2)c(C#N)c1C	ZINC000178824148	258336906	/nfs/dbraw/zinc/33/69/06/258336906.db2.gz	ICLDEQJQNSYPJS-GOEBONIOSA-N	1	0	360.458	1.749	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3cc(Br)cc(C#N)c3)C[C@@H]2C1	ZINC000192920856	258392510	/nfs/dbraw/zinc/39/25/10/258392510.db2.gz	IKCPVYZEAPXIDD-TXEJJXNPSA-N	1	0	370.272	1.503	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[N@@H+]1C1CC1	ZINC000193134210	258393188	/nfs/dbraw/zinc/39/31/88/258393188.db2.gz	MUGYPMHCIRPKLR-JSGCOSHPSA-N	1	0	357.458	1.795	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC(OCCCC)CC2)CC1	ZINC000553373894	543621955	/nfs/dbraw/zinc/62/19/55/543621955.db2.gz	UAUDTEXWCQGRTP-UHFFFAOYSA-N	1	0	365.518	1.951	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1	ZINC000553346882	543614647	/nfs/dbraw/zinc/61/46/47/543614647.db2.gz	KVKDIHKLMFYGRC-KRWDZBQOSA-N	1	0	354.454	1.650	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[C@H](OCC)C(C)C)CC1	ZINC000553711817	543685755	/nfs/dbraw/zinc/68/57/55/543685755.db2.gz	MHTNOPYCKBEFQA-KRWDZBQOSA-N	1	0	353.507	1.711	20	30		FDEDRO
C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)C[C@@H](C)C1	ZINC000553767283	543693638	/nfs/dbraw/zinc/69/36/38/543693638.db2.gz	BXSGFXPKNJEKRX-MPGHIAIKSA-N	1	0	354.454	1.477	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCC2(OC)CCC(C)CC2)CC1	ZINC000553669960	543677986	/nfs/dbraw/zinc/67/79/86/543677986.db2.gz	QWLOPLHIWAINLV-UHFFFAOYSA-N	1	0	351.491	1.465	20	30		FDEDRO
CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1	ZINC000555799776	544031518	/nfs/dbraw/zinc/03/15/18/544031518.db2.gz	SKLWDAOCBUQOKY-UHFFFAOYSA-N	1	0	354.454	1.780	20	30		FDEDRO
CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cnc3c(C#N)cnn3c2)cc1	ZINC000556215867	544119071	/nfs/dbraw/zinc/11/90/71/544119071.db2.gz	SDSYAFNLFZZXIY-GFCCVEGCSA-N	1	0	370.438	1.360	20	30		FDEDRO
C[N@@H+]1CCN(CC(=O)N(CCC#N)CCC#N)C[C@H]1Cc1ccccc1	ZINC000556508874	544150892	/nfs/dbraw/zinc/15/08/92/544150892.db2.gz	ZQMKDXQXILQZDL-LJQANCHMSA-N	1	0	353.470	1.501	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](CCNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000556779889	544200178	/nfs/dbraw/zinc/20/01/78/544200178.db2.gz	YSWUCCLKZXOPCF-RDJZCZTQSA-N	1	0	357.458	1.848	20	30		FDEDRO
O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCOC2(C[NH2+]C2)C1	ZINC000557113926	544247218	/nfs/dbraw/zinc/24/72/18/544247218.db2.gz	ZZFGTUYZTLZTRK-UHFFFAOYSA-N	1	0	353.344	1.441	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(C(=O)c2sccc2C#N)CC1	ZINC000557117710	544247549	/nfs/dbraw/zinc/24/75/49/544247549.db2.gz	HPTHORHMPNOZJD-UHFFFAOYSA-N	1	0	351.472	1.819	20	30		FDEDRO
CC[NH+](CC)CCOCCNC(=O)C(=O)Nc1ccc(C#N)c(F)c1	ZINC000558525416	544457012	/nfs/dbraw/zinc/45/70/12/544457012.db2.gz	UIYAMTBMFHTFJE-UHFFFAOYSA-N	1	0	350.394	1.110	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC000559142580	544596287	/nfs/dbraw/zinc/59/62/87/544596287.db2.gz	MNWKMLBENWGJGN-HNNXBMFYSA-N	1	0	374.489	1.824	20	30		FDEDRO
CCC[NH+]1CCC(CNC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1	ZINC000559723152	544775119	/nfs/dbraw/zinc/77/51/19/544775119.db2.gz	PWKXMIPFVMRSNQ-HNNXBMFYSA-N	1	0	356.470	1.974	20	30		FDEDRO
CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2cnc3ccc(C#N)cn23)c1	ZINC000560255596	544927119	/nfs/dbraw/zinc/92/71/19/544927119.db2.gz	ZCFPVIWRTIIHAB-ZDUSSCGKSA-N	1	0	369.450	1.965	20	30		FDEDRO
C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2ccc(S(N)(=O)=O)cc2C#N)C1	ZINC000301369324	259026601	/nfs/dbraw/zinc/02/66/01/259026601.db2.gz	OVZUCOBFAVBHKD-OKILXGFUSA-N	1	0	350.488	1.986	20	30		FDEDRO
CC(C)[N@@H+]1CCO[C@@H](CN2CCN(c3c(C#N)cccc3C#N)CC2)C1	ZINC000302885467	259047393	/nfs/dbraw/zinc/04/73/93/259047393.db2.gz	MISODLZELHIEHD-IBGZPJMESA-N	1	0	353.470	1.661	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H]2[C@@H]2COCC[C@H]2O)C1=O	ZINC000328825001	259060406	/nfs/dbraw/zinc/06/04/06/259060406.db2.gz	PWMVKZQQPOMWET-XUWVNRHRSA-N	1	0	361.467	1.587	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)[C@@H]2C1	ZINC000329220064	259085441	/nfs/dbraw/zinc/08/54/41/259085441.db2.gz	SVJCHITVQRSYLH-IPELMVKDSA-N	1	0	372.444	1.455	20	30		FDEDRO
N#Cc1ncn(CC(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)n1	ZINC000330222686	259134156	/nfs/dbraw/zinc/13/41/56/259134156.db2.gz	MQDFQLMCDUXUCN-UHFFFAOYSA-N	1	0	350.426	1.199	20	30		FDEDRO
CC(C)(O)C[NH+]1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1	ZINC000330518537	259148878	/nfs/dbraw/zinc/14/88/78/259148878.db2.gz	GDULKUGVHDKWOE-UHFFFAOYSA-N	1	0	350.850	1.539	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C[C@@H]1[NH+](C)C	ZINC000330562213	259151040	/nfs/dbraw/zinc/15/10/40/259151040.db2.gz	AIAQJZFLULNMQV-KBPBESRZSA-N	1	0	359.904	1.878	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2C#N)C[C@@H]1[NH+](C)C	ZINC000330599510	259152661	/nfs/dbraw/zinc/15/26/61/259152661.db2.gz	XPCNUEDDNGULKM-QWHCGFSZSA-N	1	0	359.904	1.878	20	30		FDEDRO
C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000331914682	259228887	/nfs/dbraw/zinc/22/88/87/259228887.db2.gz	UPBBZLDUVYSQLT-JJRVBVJISA-N	1	0	355.442	1.445	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1	ZINC000332371426	259260919	/nfs/dbraw/zinc/26/09/19/259260919.db2.gz	BDYBPLGJQMKGNG-DBVUQKKJSA-N	1	0	370.497	1.730	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)[N@H+](C)C1	ZINC000332432101	259266549	/nfs/dbraw/zinc/26/65/49/259266549.db2.gz	WZSQNYFONYBJNP-YOEHRIQHSA-N	1	0	362.861	1.579	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)C2=O)cc1	ZINC000333500672	259354408	/nfs/dbraw/zinc/35/44/08/259354408.db2.gz	DIKIYGJNHIKQGL-OWLYRPNTSA-N	1	0	367.453	1.432	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C[C@@H]21	ZINC000333651649	259366971	/nfs/dbraw/zinc/36/69/71/259366971.db2.gz	UYJNJTXBTVNSFK-NJAFHUGGSA-N	1	0	367.453	1.399	20	30		FDEDRO
C[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H](C)C[NH2+]1	ZINC000333826968	259385498	/nfs/dbraw/zinc/38/54/98/259385498.db2.gz	SBKNHBCWLOLUPC-CKEIUWERSA-N	1	0	355.442	1.051	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1	ZINC000333920075	259393751	/nfs/dbraw/zinc/39/37/51/259393751.db2.gz	PQBXVKOIWVCNNS-YESZJQIVSA-N	1	0	354.458	1.173	20	30		FDEDRO
N#Cc1cc(Br)cc(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)c1	ZINC000367163991	260004540	/nfs/dbraw/zinc/00/45/40/260004540.db2.gz	NDBOXUXUJSAZDI-LBPRGKRZSA-N	1	0	358.261	1.741	20	30		FDEDRO
C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000367344882	260027751	/nfs/dbraw/zinc/02/77/51/260027751.db2.gz	BQPIUNVSTVQHPR-NVXWUHKLSA-N	1	0	374.460	1.439	20	30		FDEDRO
C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CCn1cnc(C#N)n1	ZINC000367527476	260056001	/nfs/dbraw/zinc/05/60/01/260056001.db2.gz	OWKILMKXBJCGFN-KGLIPLIRSA-N	1	0	364.450	1.154	20	30		FDEDRO
Cc1ccc(N2CCC(Nc3cc(S(N)(=O)=O)ccc3C#N)CC2)nc1	ZINC000367730049	260082884	/nfs/dbraw/zinc/08/28/84/260082884.db2.gz	RIWKXTMMQLJXRO-UHFFFAOYSA-N	1	0	371.466	1.990	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2c3ccccc3CC[C@H]2CO)nc1	ZINC000367986829	260119608	/nfs/dbraw/zinc/11/96/08/260119608.db2.gz	CASIBBSKNRBPQA-LPHOPBHVSA-N	1	0	371.462	1.613	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CCN2CC[C@](CO)(c3ccccc3)C2)nc1	ZINC000368259273	260157585	/nfs/dbraw/zinc/15/75/85/260157585.db2.gz	AGGNQYZPYVZVID-IBGZPJMESA-N	1	0	371.462	1.363	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CCN2CCC[C@@H]([NH+]3CCCCC3)C2)nc1	ZINC000368578905	260205019	/nfs/dbraw/zinc/20/50/19/260205019.db2.gz	RCGAOPUYZNWEJY-QGZVFWFLSA-N	1	0	362.499	1.677	20	30		FDEDRO
CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C#N)nc1	ZINC000368795384	260237995	/nfs/dbraw/zinc/23/79/95/260237995.db2.gz	FVJBJEDSMASDMY-HXUWFJFHSA-N	1	0	350.422	1.662	20	30		FDEDRO
Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(C#N)cc2)cn1	ZINC000369230842	260316957	/nfs/dbraw/zinc/31/69/57/260316957.db2.gz	VZEXJJCXFPLRKJ-CMKODMSKSA-N	1	0	370.453	1.620	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1	ZINC000369355970	260346916	/nfs/dbraw/zinc/34/69/16/260346916.db2.gz	TYCKUOOGCYTVGP-AEFFLSMTSA-N	1	0	356.470	1.564	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000369373511	260351390	/nfs/dbraw/zinc/35/13/90/260351390.db2.gz	PNXNPXZBZDOSGD-SFHVURJKSA-N	1	0	355.486	1.868	20	30		FDEDRO
N#Cc1ncn(C2CC[NH+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)n1	ZINC000369387686	260354214	/nfs/dbraw/zinc/35/42/14/260354214.db2.gz	CRZAHLWCHXBSQL-OAHLLOKOSA-N	1	0	372.385	1.135	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[N@@H+]1CCCN(c2ncccn2)CC1	ZINC000369583690	260394288	/nfs/dbraw/zinc/39/42/88/260394288.db2.gz	JSHKCCKNFTUIIS-UHFFFAOYSA-N	1	0	353.426	1.948	20	30		FDEDRO
C[C@H]1CCCC[C@H]1OCCNC(=O)CN1CCC(n2cnc(C#N)n2)CC1	ZINC000373405011	261008157	/nfs/dbraw/zinc/00/81/57/261008157.db2.gz	NLUCNHVSUDLFQN-DOTOQJQBSA-N	1	0	374.489	1.498	20	30		FDEDRO
N#Cc1ncn(C2CCN([C@H]3CCN(c4ccccc4F)C3=O)CC2)n1	ZINC000373405285	261008249	/nfs/dbraw/zinc/00/82/49/261008249.db2.gz	NTMLKIBWOZFKKS-INIZCTEOSA-N	1	0	354.389	1.731	20	30		FDEDRO
COc1ccc(OCC[NH+]2CCC(n3cnc(C#N)n3)CC2)c([N+](=O)[O-])c1	ZINC000373406379	261008281	/nfs/dbraw/zinc/00/82/81/261008281.db2.gz	QPSOXHBQEXWRQO-UHFFFAOYSA-N	1	0	372.385	1.782	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@H]([NH+]4CCCC4)C3)CC2)o1	ZINC000373767039	261038700	/nfs/dbraw/zinc/03/87/00/261038700.db2.gz	XRPQNZSPQDUYOS-INIZCTEOSA-N	1	0	357.458	1.768	20	30		FDEDRO
CC1(C)C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@@]2(CCCOC2)O1	ZINC000373788791	261040707	/nfs/dbraw/zinc/04/07/07/261040707.db2.gz	BRZSAELIYJZFKY-FXAWDEMLSA-N	1	0	360.454	1.958	20	30		FDEDRO
C[C@@H]1C[C@]2(CCO1)C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)C[C@H](C)O2	ZINC000374027058	261067853	/nfs/dbraw/zinc/06/78/53/261067853.db2.gz	LMFGBKGAFDHHNL-YNVMFWSZSA-N	1	0	360.454	1.956	20	30		FDEDRO
C[C@@H]1C[C@]2(CCO1)C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C[C@@H](C)O2	ZINC000374027059	261068150	/nfs/dbraw/zinc/06/81/50/261068150.db2.gz	LMFGBKGAFDHHNL-ZTRFORPCSA-N	1	0	360.454	1.956	20	30		FDEDRO
C[C@H]1CN(CC(=O)Nc2sccc2C#N)CCN1C1CC[NH+](C)CC1	ZINC000374257793	261100812	/nfs/dbraw/zinc/10/08/12/261100812.db2.gz	GUFDSPHTUJNDER-AWEZNQCLSA-N	1	0	361.515	1.659	20	30		FDEDRO
CN(C)c1noc([C@H]2CCC[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)n1	ZINC000374532765	261149085	/nfs/dbraw/zinc/14/90/85/261149085.db2.gz	ZYSDCWYTQLXSQA-JKSUJKDBSA-N	1	0	371.441	1.627	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)[C@H]2C1	ZINC000374892204	261220389	/nfs/dbraw/zinc/22/03/89/261220389.db2.gz	JGKLMNIMDBSOMM-GUYCJALGSA-N	1	0	350.426	1.492	20	30		FDEDRO
N#Cc1cc(F)c(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)c(F)c1	ZINC000374944423	261232800	/nfs/dbraw/zinc/23/28/00/261232800.db2.gz	HZLMJEJFLTWVDT-UHFFFAOYSA-N	1	0	365.380	1.136	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1	ZINC000375064602	261260718	/nfs/dbraw/zinc/26/07/18/261260718.db2.gz	JELOSJRJWNIWQR-QAPCUYQASA-N	1	0	366.469	1.703	20	30		FDEDRO
C[C@H]([NH2+]CCN1C(=O)CNC1=O)c1nc(-c2ccc(C#N)cc2)cs1	ZINC000376841749	261661644	/nfs/dbraw/zinc/66/16/44/261661644.db2.gz	JGDNHLFLXMQSRM-NSHDSACASA-N	1	0	355.423	1.884	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1	ZINC000378406955	262018750	/nfs/dbraw/zinc/01/87/50/262018750.db2.gz	GXVKXNNZNNFQOV-INIZCTEOSA-N	1	0	373.453	1.011	20	30		FDEDRO
CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@H](C)n1cnc(C#N)n1	ZINC000409461022	262121624	/nfs/dbraw/zinc/12/16/24/262121624.db2.gz	MEVBKVIULCBECS-HNNXBMFYSA-N	1	0	370.457	1.748	20	30		FDEDRO
C[C@H](C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)n1cnc(C#N)n1	ZINC000409473973	262122880	/nfs/dbraw/zinc/12/28/80/262122880.db2.gz	HPDNGLYZYGFWCK-CYBMUJFWSA-N	1	0	356.405	1.631	20	30		FDEDRO
C[C@@H](C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)n1cnc(C#N)n1	ZINC000409473976	262123205	/nfs/dbraw/zinc/12/32/05/262123205.db2.gz	HPDNGLYZYGFWCK-ZDUSSCGKSA-N	1	0	356.405	1.631	20	30		FDEDRO
C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)n1cnc(C#N)n1	ZINC000409843197	262142327	/nfs/dbraw/zinc/14/23/27/262142327.db2.gz	NEHKUGVKZHCCEP-CYBMUJFWSA-N	1	0	360.849	1.955	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC(C)(C)[NH2+]C)cc1	ZINC000270496858	674218955	/nfs/dbraw/zinc/21/89/55/674218955.db2.gz	FIMYSRGVSVYUOX-UHFFFAOYSA-N	1	0	354.476	1.613	20	30		FDEDRO
[NH2+]=C(NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)NC1CC1	ZINC000270926882	674287668	/nfs/dbraw/zinc/28/76/68/674287668.db2.gz	PDRSVDHNORTODD-UHFFFAOYSA-N	1	0	351.350	1.426	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1ccc2c(c1)OCO2	ZINC000534099027	490317575	/nfs/dbraw/zinc/31/75/75/490317575.db2.gz	YVOJWCAHHKQQTK-UHFFFAOYSA-N	1	0	356.386	1.095	20	30		FDEDRO
C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)n1	ZINC000509863008	490472031	/nfs/dbraw/zinc/47/20/31/490472031.db2.gz	JHUUJSLNSZXIMQ-UHFFFAOYSA-N	1	0	360.805	1.547	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cnc3cc(C)nn3c2C)c1C#N	ZINC000536306095	490567059	/nfs/dbraw/zinc/56/70/59/490567059.db2.gz	AMXZFAVYALLWLX-UHFFFAOYSA-N	1	0	352.402	1.345	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H](C)[C@H]1CN(C)CCO1	ZINC000613161012	491970140	/nfs/dbraw/zinc/97/01/40/491970140.db2.gz	MQVJAWUHNIEFSC-UKRRQHHQSA-N	1	0	369.429	1.288	20	30		FDEDRO
Cc1cc(NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)ncc1C#N	ZINC000603133884	492015467	/nfs/dbraw/zinc/01/54/67/492015467.db2.gz	IRLGJKDMKMBCQV-UHFFFAOYSA-N	1	0	372.473	1.180	20	30		FDEDRO
CC(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(OCC#N)c2)CC1	ZINC000041277761	519650265	/nfs/dbraw/zinc/65/02/65/519650265.db2.gz	CUKHWROCQKOSCK-UHFFFAOYSA-N	1	0	358.442	1.764	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)ccc1Cl	ZINC000041785700	519667112	/nfs/dbraw/zinc/66/71/12/519667112.db2.gz	FAYYQYKQRLSENY-UHFFFAOYSA-N	1	0	364.833	1.379	20	30		FDEDRO
CCOCCCNC(=O)[C@@H](C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000042643477	519700364	/nfs/dbraw/zinc/70/03/64/519700364.db2.gz	YZQLEORWORYZKN-GOSISDBHSA-N	1	0	372.513	1.997	20	30		FDEDRO
Cn1nnnc1SCCC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000056015963	521762881	/nfs/dbraw/zinc/76/28/81/521762881.db2.gz	FYQMXSRRCYWBGH-UHFFFAOYSA-N	1	0	373.486	1.154	20	30		FDEDRO
CC(C)[NH+](CCNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)C(C)C	ZINC000043062829	521814462	/nfs/dbraw/zinc/81/44/62/521814462.db2.gz	LMUPVPCVUNDFCB-UHFFFAOYSA-N	1	0	358.490	1.904	20	30		FDEDRO
C[NH+]1CCC(NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1	ZINC000043180170	521837933	/nfs/dbraw/zinc/83/79/33/521837933.db2.gz	BVXVPLUQGSHVRM-UHFFFAOYSA-N	1	0	358.446	1.349	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCc2ccccc2Cn2cncn2)cc1	ZINC000057888031	522175608	/nfs/dbraw/zinc/17/56/08/522175608.db2.gz	BNQKXWZJSXXEGU-UHFFFAOYSA-N	1	0	364.453	1.982	20	30		FDEDRO
CCC(CC)C[N@@H+](CCC#N)CCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC000072692889	522359895	/nfs/dbraw/zinc/35/98/95/522359895.db2.gz	NMGQAQPGGVLSBV-UHFFFAOYSA-N	1	0	374.489	1.476	20	30		FDEDRO
CC[C@@H](CO)[NH+]1CCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1	ZINC000072797383	522384685	/nfs/dbraw/zinc/38/46/85/522384685.db2.gz	KWIIBLHGKRCBFJ-NNVNDSJASA-N	1	0	364.534	1.694	20	30		FDEDRO
C[NH+]=C(NCC[C@](O)(c1nccn1C)C(F)(F)F)N1CCC[C@H](C)C1	ZINC000072874120	522416424	/nfs/dbraw/zinc/41/64/24/522416424.db2.gz	CRGGCTRUHDPIEE-WFASDCNBSA-N	1	0	361.412	1.867	20	30		FDEDRO
C#CCCNC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1	ZINC000073085865	522462958	/nfs/dbraw/zinc/46/29/58/522462958.db2.gz	SBHPHUBZSSMEAU-UHFFFAOYSA-N	1	0	360.433	1.434	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)CC1	ZINC000073436435	522525581	/nfs/dbraw/zinc/52/55/81/522525581.db2.gz	PFTCKEVAYCEADD-UHFFFAOYSA-N	1	0	351.472	1.331	20	30		FDEDRO
C[NH+]=C(NCC(=O)Nc1ccccc1)N1CCN(c2ccccn2)CC1	ZINC000073469931	522530263	/nfs/dbraw/zinc/53/02/63/522530263.db2.gz	WVXZZOBTLBDKLG-UHFFFAOYSA-N	1	0	352.442	1.418	20	30		FDEDRO
CC(C)[C@H](CNC(=O)NCCOc1ccc(C#N)cc1)[NH+]1CCN(C)CC1	ZINC000073596036	522557769	/nfs/dbraw/zinc/55/77/69/522557769.db2.gz	AYHMQUVNKUKGJY-IBGZPJMESA-N	1	0	373.501	1.508	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N(C)Cc1c(F)cccc1Cl	ZINC000073773120	522603475	/nfs/dbraw/zinc/60/34/75/522603475.db2.gz	PIEBZJXHJRCSQF-LLVKDONJSA-N	1	0	361.870	1.921	20	30		FDEDRO
C=CCNC(N[C@H]1CCOc2ccccc21)=[NH+]C[C@H]1CCS(=O)(=O)C1	ZINC000073807132	522610734	/nfs/dbraw/zinc/61/07/34/522610734.db2.gz	SKQJICXHCMOISE-ZBFHGGJFSA-N	1	0	363.483	1.666	20	30		FDEDRO
C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC(=O)N1CCCC1	ZINC000074023112	522657938	/nfs/dbraw/zinc/65/79/38/522657938.db2.gz	YXROCVDEYTWFHD-UHFFFAOYSA-N	1	0	360.483	1.991	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCC[N@@H+](CC)C2)c1	ZINC000063852368	522661093	/nfs/dbraw/zinc/66/10/93/522661093.db2.gz	JBZSOPGNXRWPBJ-OAHLLOKOSA-N	1	0	365.499	1.613	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000074491411	522786114	/nfs/dbraw/zinc/78/61/14/522786114.db2.gz	JJPJJMWUYFVSGO-IBGZPJMESA-N	1	0	355.486	1.870	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1	ZINC000050169785	522897272	/nfs/dbraw/zinc/89/72/72/522897272.db2.gz	JYVPZGNHBWOLCY-UHFFFAOYSA-N	1	0	356.426	1.592	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCNC(=O)c1ccco1	ZINC000065931389	522921558	/nfs/dbraw/zinc/92/15/58/522921558.db2.gz	VOWBNBMYEFRASZ-UHFFFAOYSA-N	1	0	368.437	1.862	20	30		FDEDRO
N#Cc1cnn(-c2ccc(C(=O)NC3CC[NH+](C4CC4)CC3)cc2)c1N	ZINC000066240057	522994556	/nfs/dbraw/zinc/99/45/56/522994556.db2.gz	YSVQYYYCPZPTCK-UHFFFAOYSA-N	1	0	350.426	1.683	20	30		FDEDRO
CC[NH+]1CCC(CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1	ZINC000066241232	522997985	/nfs/dbraw/zinc/99/79/85/522997985.db2.gz	ZPCWRZZJGMWDMD-UHFFFAOYSA-N	1	0	352.442	1.788	20	30		FDEDRO
CC[C@H](C)NC(=[NH2+])NCC1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000076105472	523021124	/nfs/dbraw/zinc/02/11/24/523021124.db2.gz	XMWVBBZADARGNL-AWEZNQCLSA-N	1	0	352.504	1.790	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)COc2ccccc2C#N)CC1	ZINC000066344681	523024131	/nfs/dbraw/zinc/02/41/31/523024131.db2.gz	KGUYRRHGOKCIJL-UHFFFAOYSA-N	1	0	365.437	1.400	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1	ZINC000076240695	523052108	/nfs/dbraw/zinc/05/21/08/523052108.db2.gz	PMDIFBHLGNFVHA-CYBMUJFWSA-N	1	0	359.401	1.377	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CCC)C1	ZINC000076266377	523056962	/nfs/dbraw/zinc/05/69/62/523056962.db2.gz	GNNFVULYOSTXIH-AWEZNQCLSA-N	1	0	361.417	1.624	20	30		FDEDRO
N#CCCSc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1	ZINC000076317750	523076920	/nfs/dbraw/zinc/07/69/20/523076920.db2.gz	INIWHMRKQVAKCB-ZDUSSCGKSA-N	1	0	358.467	1.984	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1	ZINC000076333933	523082595	/nfs/dbraw/zinc/08/25/95/523082595.db2.gz	WTJWYKSXGLTGPX-LLVKDONJSA-N	1	0	364.352	1.451	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1)C[NH+]1CCCCC1	ZINC000052557009	523203918	/nfs/dbraw/zinc/20/39/18/523203918.db2.gz	DKWUBMLMZKGWIP-KRWDZBQOSA-N	1	0	370.501	1.907	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1	ZINC000077202354	523266050	/nfs/dbraw/zinc/26/60/50/523266050.db2.gz	OXKHZSWLHREQDD-MRXNPFEDSA-N	1	0	373.501	1.607	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)CCc3ccccc3)CC2)o1	ZINC000053048570	523334339	/nfs/dbraw/zinc/33/43/39/523334339.db2.gz	PMZXZFPMLMUJQP-UHFFFAOYSA-N	1	0	367.453	1.678	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1	ZINC000067374241	523412613	/nfs/dbraw/zinc/41/26/13/523412613.db2.gz	JVVXIBJMKXWZAM-CQSZACIVSA-N	1	0	358.442	1.744	20	30		FDEDRO
C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1	ZINC000077731215	523434075	/nfs/dbraw/zinc/43/40/75/523434075.db2.gz	SIEQUQMQDOSGSW-IBGZPJMESA-N	1	0	362.433	1.630	20	30		FDEDRO
C[N@H+](CCNC(=O)C(=O)Nc1ncn(Cc2ccccc2)n1)C1CCCC1	ZINC000077770604	523458204	/nfs/dbraw/zinc/45/82/04/523458204.db2.gz	QXHDUEGHKIRCSW-UHFFFAOYSA-N	1	0	370.457	1.905	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1	ZINC000054509591	523652059	/nfs/dbraw/zinc/65/20/59/523652059.db2.gz	OPSCELSBQOEQIR-KRWDZBQOSA-N	1	0	356.474	1.517	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1	ZINC000271658411	674366138	/nfs/dbraw/zinc/36/61/38/674366138.db2.gz	JORYEPQHLBZXGK-CQSZACIVSA-N	1	0	351.472	1.446	20	30		FDEDRO
COCCN(CC[NH+](C)C)C(=O)CCC(=O)N(CCC#N)c1ccccc1	ZINC000068425251	523784844	/nfs/dbraw/zinc/78/48/44/523784844.db2.gz	KWQOQOATXBIZJZ-UHFFFAOYSA-N	1	0	374.485	1.750	20	30		FDEDRO
C=CCNC(=O)N1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1	ZINC000080573761	523890986	/nfs/dbraw/zinc/89/09/86/523890986.db2.gz	JLBVKTQCUZVHCF-UHFFFAOYSA-N	1	0	358.486	1.842	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1	ZINC000172174715	524147187	/nfs/dbraw/zinc/14/71/87/524147187.db2.gz	SBHDBSSQFVECQI-QGZVFWFLSA-N	1	0	362.518	1.965	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)N[C@H]1C[C@@H]1C	ZINC000083880460	524278314	/nfs/dbraw/zinc/27/83/14/524278314.db2.gz	XABVAQLWKQWJLP-YOEHRIQHSA-N	1	0	364.515	1.935	20	30		FDEDRO
CC[NH+]=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)N[C@@H]1C[C@H]1C	ZINC000083880463	524278686	/nfs/dbraw/zinc/27/86/86/524278686.db2.gz	XABVAQLWKQWJLP-RHSMWYFYSA-N	1	0	364.515	1.935	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1	ZINC000111493388	524291748	/nfs/dbraw/zinc/29/17/48/524291748.db2.gz	VRBHHUKUIXARBT-KRWDZBQOSA-N	1	0	374.485	1.638	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000111511717	524295085	/nfs/dbraw/zinc/29/50/85/524295085.db2.gz	OSFNJJAAWOEFHJ-QGZVFWFLSA-N	1	0	356.474	1.659	20	30		FDEDRO
C=CC[N@@H+](C)[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000121610120	524307756	/nfs/dbraw/zinc/30/77/56/524307756.db2.gz	INKDYKYGSPHABC-INIZCTEOSA-N	1	0	365.499	1.334	20	30		FDEDRO
CCOCCNC(=O)CON=C(N)c1cccc(C[NH+]2CCCCC2)c1	ZINC000084505712	524314002	/nfs/dbraw/zinc/31/40/02/524314002.db2.gz	QPYHAPULHJPHBK-UHFFFAOYSA-N	1	0	362.474	1.462	20	30		FDEDRO
CC(C)(C)N1NC=C2CN/C(=[NH+]\NC=C3C(=O)CC(C)(C)CC3=O)N=C21	ZINC000111660228	524318497	/nfs/dbraw/zinc/31/84/97/524318497.db2.gz	IGVDQZZXWMTFQJ-UHFFFAOYSA-N	1	0	358.446	1.193	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCCCN2C(=O)COc3ccccc32)CC1	ZINC000173199052	524343751	/nfs/dbraw/zinc/34/37/51/524343751.db2.gz	BCHBZLOCJMIDSJ-UHFFFAOYSA-N	1	0	372.469	1.752	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000122018236	524433940	/nfs/dbraw/zinc/43/39/40/524433940.db2.gz	VAPZXFBHHUIZPG-WMZOPIPTSA-N	1	0	371.481	1.972	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc(OC(F)F)c1	ZINC000122146529	524462629	/nfs/dbraw/zinc/46/26/29/524462629.db2.gz	OBKRWWIVUDSLLU-UHFFFAOYSA-N	1	0	368.384	1.920	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(CCC(=O)OC)C[C@H]2C)CC1	ZINC000089266524	524484091	/nfs/dbraw/zinc/48/40/91/524484091.db2.gz	QEDCLGYFBQHRDM-MRXNPFEDSA-N	1	0	366.506	1.306	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)CCNC(=O)C1N=CC=CC1=O)C1CCCCC1	ZINC000173947010	524489842	/nfs/dbraw/zinc/48/98/42/524489842.db2.gz	USEPCUYSKSJAKW-IJYGLTAASA-N	1	0	362.474	1.530	20	30		FDEDRO
CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2ccccc2C#N)CC1	ZINC000122256257	524491488	/nfs/dbraw/zinc/49/14/88/524491488.db2.gz	XBYQKTDKQZJLLQ-HNNXBMFYSA-N	1	0	350.488	1.110	20	30		FDEDRO
Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc3c(c1C#N)CCC3)CC2	ZINC000112549282	524501943	/nfs/dbraw/zinc/50/19/43/524501943.db2.gz	MHLXLGDXVWYBTB-JQWIXIFHSA-N	1	0	370.482	1.940	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CCc2nc(C(C)(C)C)no2)c1C#N	ZINC000089676063	524519866	/nfs/dbraw/zinc/51/98/66/524519866.db2.gz	PUIKJYOSGIBSGW-UHFFFAOYSA-N	1	0	359.434	1.685	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(C(=O)Cc3cccc(OCC#N)c3)CC2)C1	ZINC000089828749	524530926	/nfs/dbraw/zinc/53/09/26/524530926.db2.gz	STZQYZMKZIQQFI-GOSISDBHSA-N	1	0	356.470	1.370	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)Cc2cccc(OCC#N)c2)CC1	ZINC000089817289	524531574	/nfs/dbraw/zinc/53/15/74/524531574.db2.gz	XSAJIKDNVLZVDV-UHFFFAOYSA-N	1	0	372.469	1.144	20	30		FDEDRO
Cc1oc(NC(=O)[C@H](C)[N@H+](C)CCCc2[nH]nc(N)c2C#N)c(C#N)c1C	ZINC000089942903	524554501	/nfs/dbraw/zinc/55/45/01/524554501.db2.gz	PBTKXCVINITNLS-NSHDSACASA-N	1	0	369.429	1.837	20	30		FDEDRO
C=CCCOCC[NH2+][C@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000090883483	524616798	/nfs/dbraw/zinc/61/67/98/524616798.db2.gz	SURMAWKVQPMPDB-MRXNPFEDSA-N	1	0	368.499	1.951	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1	ZINC000159293712	524636674	/nfs/dbraw/zinc/63/66/74/524636674.db2.gz	QJVABUDMDYCUHZ-MRXNPFEDSA-N	1	0	357.454	1.731	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1C#N	ZINC000174592405	524639943	/nfs/dbraw/zinc/63/99/43/524639943.db2.gz	MCLPNGAVXIINJO-OAHLLOKOSA-N	1	0	358.442	1.278	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(c2ncccc2C#N)CC1)C[NH+]1CCCC1	ZINC000123043988	524668615	/nfs/dbraw/zinc/66/86/15/524668615.db2.gz	PLLKPLNNCLWBSH-MRXNPFEDSA-N	1	0	356.474	1.517	20	30		FDEDRO
N#CCCn1cc(C[NH2+]CCN2CCCS2(=O)=O)c(-c2ccccc2)n1	ZINC000113336847	524671122	/nfs/dbraw/zinc/67/11/22/524671122.db2.gz	OAJFLLMEVIEUOE-UHFFFAOYSA-N	1	0	373.482	1.589	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN(C)C1CC[NH+](CCc2ccccn2)CC1	ZINC000174658422	524678826	/nfs/dbraw/zinc/67/88/26/524678826.db2.gz	JRLWTXNJTBNMFK-UHFFFAOYSA-N	1	0	359.474	1.032	20	30		FDEDRO
C[C@H](C#N)CNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1	ZINC000091281404	524688131	/nfs/dbraw/zinc/68/81/31/524688131.db2.gz	MZMIYRLDGWSKQZ-OAHLLOKOSA-N	1	0	369.469	1.433	20	30		FDEDRO
CCCNC(=O)CN1CCC([NH2+]Cc2cnc3ccc(C#N)cn23)CC1	ZINC000123281181	524718620	/nfs/dbraw/zinc/71/86/20/524718620.db2.gz	PFHPLLQNBKOFNM-UHFFFAOYSA-N	1	0	354.458	1.286	20	30		FDEDRO
COC1CCC([N@H+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1	ZINC000091578184	524732044	/nfs/dbraw/zinc/73/20/44/524732044.db2.gz	WEVNKCOZUPOHFE-ABHNRTSZSA-N	1	0	350.507	1.568	20	30		FDEDRO
Cn1c(Nc2cccc(CC[N@H+](C)C3CC3)c2)c(C#N)c(=O)n(C)c1=O	ZINC000091632168	524748632	/nfs/dbraw/zinc/74/86/32/524748632.db2.gz	IEOKWNZGHPQMQG-UHFFFAOYSA-N	1	0	353.426	1.336	20	30		FDEDRO
CC(C)(C#N)CCC[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2)CC1	ZINC000174820757	524749672	/nfs/dbraw/zinc/74/96/72/524749672.db2.gz	PJXWKVLPPXVHOA-UHFFFAOYSA-N	1	0	350.488	1.786	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)c1C#N	ZINC000174882832	524776164	/nfs/dbraw/zinc/77/61/64/524776164.db2.gz	YSSQIUIZOSYDSI-UHFFFAOYSA-N	1	0	358.442	1.110	20	30		FDEDRO
C[N@H+](CCCn1ccnc1)CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000124237244	524937774	/nfs/dbraw/zinc/93/77/74/524937774.db2.gz	HBGIMCOUPXQJOG-UHFFFAOYSA-N	1	0	363.425	1.901	20	30		FDEDRO
N#Cc1cccc(OCC[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)c1	ZINC000093260069	524972749	/nfs/dbraw/zinc/97/27/49/524972749.db2.gz	LIODPJVUONSVJK-UHFFFAOYSA-N	1	0	366.421	1.974	20	30		FDEDRO
C[C@H]1C[NH+](CCC2CCN(S(=O)(=O)CCCC#N)CC2)C[C@H](C)O1	ZINC000175664883	524988788	/nfs/dbraw/zinc/98/87/88/524988788.db2.gz	CDIUAJRVSWQIAY-HOTGVXAUSA-N	1	0	357.520	1.831	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(CN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1	ZINC000093821064	525004325	/nfs/dbraw/zinc/00/43/25/525004325.db2.gz	YQNUGGKVYPOMTO-QFBILLFUSA-N	1	0	356.470	1.716	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000152802455	525010342	/nfs/dbraw/zinc/01/03/42/525010342.db2.gz	ARXOBVVLMIFHMQ-WBVHZDCISA-N	1	0	370.453	1.091	20	30		FDEDRO
C[NH+]1CCN([C@H]2CCCCN(C(=O)c3ccccc3OCC#N)C2)CC1	ZINC000175997945	525039615	/nfs/dbraw/zinc/03/96/15/525039615.db2.gz	BJFSGTOULGJDJH-KRWDZBQOSA-N	1	0	356.470	1.831	20	30		FDEDRO
C[NH+]=C(NCc1c(C)nn(C)c1C)N[C@H]1CCc2nnc(C(C)C)n2C1	ZINC000176157827	525058743	/nfs/dbraw/zinc/05/87/43/525058743.db2.gz	IDZSBOYEWHQEQW-AWEZNQCLSA-N	1	0	358.494	1.432	20	30		FDEDRO
Cc1nc(SCC(=O)NC[C@](C)(O)C[NH+](C)C)c(C#N)c(C)c1C	ZINC000152999194	525073318	/nfs/dbraw/zinc/07/33/18/525073318.db2.gz	WCUJDJYJQQOPJH-KRWDZBQOSA-N	1	0	350.488	1.399	20	30		FDEDRO
COCCNC(=[NH2+])NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1	ZINC000161537051	525124847	/nfs/dbraw/zinc/12/48/47/525124847.db2.gz	MEOIOSJSRACWRO-OAHLLOKOSA-N	1	0	374.407	1.629	20	30		FDEDRO
N#C[C@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CCO1	ZINC000176652019	525161601	/nfs/dbraw/zinc/16/16/01/525161601.db2.gz	VYYIPEFMGHDEAA-SFHVURJKSA-N	1	0	358.442	1.077	20	30		FDEDRO
C[N@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1ccc(C#N)cc1	ZINC000125284868	525184691	/nfs/dbraw/zinc/18/46/91/525184691.db2.gz	IFPZETSJUVUHQZ-UHFFFAOYSA-N	1	0	372.450	1.666	20	30		FDEDRO
C#CCCOc1ccc(C[NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1	ZINC000177356168	525280478	/nfs/dbraw/zinc/28/04/78/525280478.db2.gz	ZBRQFWOGYJLCSY-IBGZPJMESA-N	1	0	371.481	1.111	20	30		FDEDRO
N#CC1CCN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1	ZINC000177443649	525292010	/nfs/dbraw/zinc/29/20/10/525292010.db2.gz	ZASJCPZUUMSTEH-UHFFFAOYSA-N	1	0	372.494	1.936	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1	ZINC000177470474	525295222	/nfs/dbraw/zinc/29/52/22/525295222.db2.gz	OUNWKLVGLVHSGQ-CVEARBPZSA-N	1	0	363.483	1.201	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)cc1	ZINC000103632297	525371783	/nfs/dbraw/zinc/37/17/83/525371783.db2.gz	REXNLVCOKODHHS-UHFFFAOYSA-N	1	0	372.469	1.341	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC	ZINC000104159778	525398705	/nfs/dbraw/zinc/39/87/05/525398705.db2.gz	BFBGKLIGCXLFHG-GASCZTMLSA-N	1	0	364.490	1.607	20	30		FDEDRO
CCn1c(=O)[nH]c2cc(C(=O)N(CCC#N)CCC[NH+](C)C)ccc2c1=O	ZINC000104327085	525405844	/nfs/dbraw/zinc/40/58/44/525405844.db2.gz	SXQSGOKDOPUCHN-UHFFFAOYSA-N	1	0	371.441	1.017	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1	ZINC000127421413	525420680	/nfs/dbraw/zinc/42/06/80/525420680.db2.gz	RSGXMDYKLQEWHU-ROUUACIJSA-N	1	0	363.483	1.604	20	30		FDEDRO
COCCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C#N)c2C)CC1	ZINC000178463399	525433096	/nfs/dbraw/zinc/43/30/96/525433096.db2.gz	LCSQYUXZXLVQQQ-UHFFFAOYSA-N	1	0	358.442	1.422	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(OCCCC#N)c1)C1CC1	ZINC000118102340	525444001	/nfs/dbraw/zinc/44/40/01/525444001.db2.gz	NVCPHZCZLINGFD-QGZVFWFLSA-N	1	0	358.442	1.764	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	ZINC000118124584	525470456	/nfs/dbraw/zinc/47/04/56/525470456.db2.gz	BCGJUBQEHJHWHO-CQSZACIVSA-N	1	0	364.833	1.377	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)[C@H](Cc2ccccc2)n2nnnc2C)CC1	ZINC000118334502	525495538	/nfs/dbraw/zinc/49/55/38/525495538.db2.gz	GEJZXHCZFZVGPJ-IBGZPJMESA-N	1	0	368.485	1.922	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cnn(Cc3ccccc3)c2)c1C#N	ZINC000128205375	525516875	/nfs/dbraw/zinc/51/68/75/525516875.db2.gz	ZDITXMPXMNDHFO-UHFFFAOYSA-N	1	0	363.425	1.930	20	30		FDEDRO
N#CC1(CS(=O)(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1	ZINC000164570975	525517185	/nfs/dbraw/zinc/51/71/85/525517185.db2.gz	DKDKOESHOAJYFK-UHFFFAOYSA-N	1	0	362.499	1.027	20	30		FDEDRO
C[NH+]=C(NCc1cc(N(C)C)nc2ccccc12)N1CCO[C@H](COC)C1	ZINC000179263318	525549713	/nfs/dbraw/zinc/54/97/13/525549713.db2.gz	VTIJSYLBWXEAOC-INIZCTEOSA-N	1	0	371.485	1.723	20	30		FDEDRO
C[C@@H]([NH3+])C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1	ZINC000154687902	525610939	/nfs/dbraw/zinc/61/09/39/525610939.db2.gz	DSDLIXCXDWWQQS-RILUTCLRSA-N	1	0	352.460	1.565	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)CC1	ZINC000129148686	525620808	/nfs/dbraw/zinc/62/08/08/525620808.db2.gz	MKBBUIDHPFWAJK-INIZCTEOSA-N	1	0	353.422	1.176	20	30		FDEDRO
Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)NC1CC[NH+](C2CC2)CC1	ZINC000129349339	525645142	/nfs/dbraw/zinc/64/51/42/525645142.db2.gz	GVTWJCUAHMQVKL-UHFFFAOYSA-N	1	0	364.453	1.868	20	30		FDEDRO
CC(C)[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)C(=O)N1CCOCC1	ZINC000180065422	525655617	/nfs/dbraw/zinc/65/56/17/525655617.db2.gz	JMLMFTKXNNWMIM-KRWDZBQOSA-N	1	0	364.490	1.144	20	30		FDEDRO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCN(c2cccnn2)CC1	ZINC000170649323	525657779	/nfs/dbraw/zinc/65/77/79/525657779.db2.gz	VQQJCHXGNNGTFQ-OHTSDLOESA-N	1	0	370.501	1.918	20	30		FDEDRO
Cc1nc(N2CCOCC2)ccc1NC(=O)N(CCC#N)CCC[NH+](C)C	ZINC000119221943	525675942	/nfs/dbraw/zinc/67/59/42/525675942.db2.gz	HBARCQSHDHYGAZ-UHFFFAOYSA-N	1	0	374.489	1.926	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)CCO1	ZINC000106333766	525694052	/nfs/dbraw/zinc/69/40/52/525694052.db2.gz	ZSOLGFDADNOVKX-LJQANCHMSA-N	1	0	371.485	1.523	20	30		FDEDRO
N#CCCCS(=O)(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO	ZINC000180377189	525698183	/nfs/dbraw/zinc/69/81/83/525698183.db2.gz	JGFIGUMCVUQEFD-KRWDZBQOSA-N	1	0	351.472	1.366	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C	ZINC000155032113	525719637	/nfs/dbraw/zinc/71/96/37/525719637.db2.gz	VNMPVLNNZJBPMX-BETUJISGSA-N	1	0	354.458	1.701	20	30		FDEDRO
CN(C)[C@H](CNC(=[NH2+])NCCCN1CCOCC1)c1ccccc1Cl	ZINC000170906770	525761537	/nfs/dbraw/zinc/76/15/37/525761537.db2.gz	VKLSDOCQSCOMCL-QGZVFWFLSA-N	1	0	367.925	1.569	20	30		FDEDRO
C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000180871550	525767403	/nfs/dbraw/zinc/76/74/03/525767403.db2.gz	LQPUOYGDVWQLIP-JGWKNBOWSA-N	1	0	356.426	1.544	20	30		FDEDRO
CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCC(=O)N(C)CCC#N)cc1	ZINC000181050309	525798225	/nfs/dbraw/zinc/79/82/25/525798225.db2.gz	BVMPMKYNMNHDQI-CYBMUJFWSA-N	1	0	352.460	1.007	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)C2)CC1	ZINC000106893880	525816601	/nfs/dbraw/zinc/81/66/01/525816601.db2.gz	SARSUDNMNMXDJL-OAHLLOKOSA-N	1	0	366.462	1.098	20	30		FDEDRO
CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2c[nH]c(C#N)c2)CC1	ZINC000181221484	525821927	/nfs/dbraw/zinc/82/19/27/525821927.db2.gz	MBTKGDARFLTCBI-UHFFFAOYSA-N	1	0	351.454	1.954	20	30		FDEDRO
CC[NH+](CC)CCN(C(=O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000131047617	525823169	/nfs/dbraw/zinc/82/31/69/525823169.db2.gz	HFXCUFRZMRUYHI-KRWDZBQOSA-N	1	0	363.483	1.529	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1CNS(=O)(=O)c1ccc(C#N)nc1	ZINC000171091463	525836725	/nfs/dbraw/zinc/83/67/25/525836725.db2.gz	BPPXCCDAYKZSQA-UHFFFAOYSA-N	1	0	360.439	1.372	20	30		FDEDRO
C[NH+](C)Cc1ccccc1CNC(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000171107301	525848797	/nfs/dbraw/zinc/84/87/97/525848797.db2.gz	IJZWEQCGVOIXLY-UHFFFAOYSA-N	1	0	350.422	1.666	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)[C@H](C)C1	ZINC000119799181	525867369	/nfs/dbraw/zinc/86/73/69/525867369.db2.gz	ZANAIEUJOVUDGM-HIFRSBDPSA-N	1	0	360.462	1.463	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C[NH3+])C2CCCCC2)c1	ZINC000155584097	525913365	/nfs/dbraw/zinc/91/33/65/525913365.db2.gz	PYKYJSFNDWJZLB-QGZVFWFLSA-N	1	0	365.499	1.788	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1	ZINC000107898398	525929443	/nfs/dbraw/zinc/92/94/43/525929443.db2.gz	HYYLXIQKXOBXSL-UHFFFAOYSA-N	1	0	351.834	1.947	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1	ZINC000181904139	525976545	/nfs/dbraw/zinc/97/65/45/525976545.db2.gz	MPDJWSVSOXJEEH-HZSPNIEDSA-N	1	0	356.426	1.657	20	30		FDEDRO
CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1	ZINC000108795158	526027765	/nfs/dbraw/zinc/02/77/65/526027765.db2.gz	AIQQBTCRTMIGQV-AWEZNQCLSA-N	1	0	366.487	1.257	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(Cn4ccnn4)CC3)C2=O)cc1	ZINC000155990281	526027720	/nfs/dbraw/zinc/02/77/20/526027720.db2.gz	RJIUGPIXEDUXOS-GOSISDBHSA-N	1	0	350.426	1.667	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1	ZINC000171560353	526034705	/nfs/dbraw/zinc/03/47/05/526034705.db2.gz	JPCJKFXLELWIIZ-UHFFFAOYSA-N	1	0	359.470	1.878	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1	ZINC000171560580	526037399	/nfs/dbraw/zinc/03/73/99/526037399.db2.gz	MGDJUZVPIZNIRP-UHFFFAOYSA-N	1	0	368.485	1.825	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)CC1	ZINC000171619255	526053868	/nfs/dbraw/zinc/05/38/68/526053868.db2.gz	UEQQFYWBMQFGPD-UHFFFAOYSA-N	1	0	357.454	1.910	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc2c(c1)C(=O)NC2=O)C(C)C	ZINC000120465168	526072877	/nfs/dbraw/zinc/07/28/77/526072877.db2.gz	CTSRVZNAFMEVJD-QGZVFWFLSA-N	1	0	355.438	1.999	20	30		FDEDRO
C[N@H+](CCN1CCN(C(=O)C2(C#N)CCOCC2)CC1)Cc1ccccc1	ZINC000109143371	526082546	/nfs/dbraw/zinc/08/25/46/526082546.db2.gz	FGASCBYMYJZMHN-UHFFFAOYSA-N	1	0	370.497	1.583	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cn(Cc3cccs3)nn2)c1C#N	ZINC000133742596	526086847	/nfs/dbraw/zinc/08/68/47/526086847.db2.gz	BIPFGQTVJXFMBI-UHFFFAOYSA-N	1	0	370.442	1.387	20	30		FDEDRO
COCCN(CC[NH+](C)C)C(=O)N[C@@H]1CCCN(c2ccccc2C#N)C1	ZINC000109179394	526088138	/nfs/dbraw/zinc/08/81/38/526088138.db2.gz	HZTBVYKJNKJGLO-GOSISDBHSA-N	1	0	373.501	1.747	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CNC(=O)c2cnc3ccccc3c2O)CC1	ZINC000171719515	526090632	/nfs/dbraw/zinc/09/06/32/526090632.db2.gz	DIAARHUEEJJBSL-UHFFFAOYSA-N	1	0	368.437	1.437	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)CC1	ZINC000171727210	526096103	/nfs/dbraw/zinc/09/61/03/526096103.db2.gz	BDPJLNPCEYSTIJ-AUUYWEPGSA-N	1	0	362.474	1.254	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000171726742	526096233	/nfs/dbraw/zinc/09/62/33/526096233.db2.gz	GULJQUZHXNKJQM-CYBMUJFWSA-N	1	0	360.414	1.480	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccccc1C#N)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1	ZINC000109754326	526174849	/nfs/dbraw/zinc/17/48/49/526174849.db2.gz	HWVMJBGNFPZRSX-PKOBYXMFSA-N	1	0	369.513	1.987	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2nnc(-c3ccc(OC)cc3)[nH]2)CC1	ZINC000171907804	526179801	/nfs/dbraw/zinc/17/98/01/526179801.db2.gz	PJEBWOJUHVRQBE-UHFFFAOYSA-N	1	0	370.457	1.930	20	30		FDEDRO
C[NH+](C)CCOc1cccc(CNC(=O)C(=O)Nc2cccc(C#N)c2)c1	ZINC000120790168	526183282	/nfs/dbraw/zinc/18/32/82/526183282.db2.gz	RXCGMSNJRHLSRM-UHFFFAOYSA-N	1	0	366.421	1.754	20	30		FDEDRO
CC[C@H](C)NC(=O)CON=C(N)c1ccccc1C[NH+]1CCC(O)CC1	ZINC000171946430	526189435	/nfs/dbraw/zinc/18/94/35/526189435.db2.gz	USOBIOWVWPWQTO-AWEZNQCLSA-N	1	0	362.474	1.195	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000120881382	526208915	/nfs/dbraw/zinc/20/89/15/526208915.db2.gz	SAHDXFGEMYDPBK-OAHLLOKOSA-N	1	0	355.435	1.228	20	30		FDEDRO
CCCC[N@H+](CCO)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000182750787	535857000	/nfs/dbraw/zinc/85/70/00/535857000.db2.gz	YNFRCEZPIFCQHM-INIZCTEOSA-N	1	0	364.515	1.551	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000183652937	536022816	/nfs/dbraw/zinc/02/28/16/536022816.db2.gz	LZKNECHHRMLKRB-LBPRGKRZSA-N	1	0	356.879	1.126	20	30		FDEDRO
C[C@@H](CNC(=O)Nc1cnn(-c2ncccc2C#N)c1)C[NH+]1CCCC1	ZINC000184578061	536165764	/nfs/dbraw/zinc/16/57/64/536165764.db2.gz	MSYSQJRZFQJTPS-AWEZNQCLSA-N	1	0	353.430	1.992	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CCC)C1	ZINC000184736853	536180417	/nfs/dbraw/zinc/18/04/17/536180417.db2.gz	BFIUGFCOOWTRPA-MRXNPFEDSA-N	1	0	357.454	1.827	20	30		FDEDRO
COc1ccccc1CNC(=[NH2+])NCc1cnc(N2CCOCC2)c(F)c1	ZINC000184874744	536188899	/nfs/dbraw/zinc/18/88/99/536188899.db2.gz	WXOHHVSGKRFIKZ-UHFFFAOYSA-N	1	0	373.432	1.670	20	30		FDEDRO
CN(CC[N@H+](C)C1CC1)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000186782661	536243894	/nfs/dbraw/zinc/24/38/94/536243894.db2.gz	QKCJGFRPBUNPAP-UHFFFAOYSA-N	1	0	364.471	1.045	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1	ZINC000187659355	536270884	/nfs/dbraw/zinc/27/08/84/536270884.db2.gz	GMBMODSJEFFDCV-UHFFFAOYSA-N	1	0	357.454	1.827	20	30		FDEDRO
C[NH+]=C(NCC1CC1)NCC1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000262838612	536915633	/nfs/dbraw/zinc/91/56/33/536915633.db2.gz	RAOSIROLKJSBDY-UHFFFAOYSA-N	1	0	364.515	1.662	20	30		FDEDRO
CC[C@H](CC#N)NC(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1	ZINC000188804120	536952641	/nfs/dbraw/zinc/95/26/41/536952641.db2.gz	FMTZJQZLQCWEND-OAHLLOKOSA-N	1	0	357.458	1.575	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccccc1SCC(N)=O	ZINC000267390830	536974108	/nfs/dbraw/zinc/97/41/08/536974108.db2.gz	MEKNZTXJRMQVPG-UHFFFAOYSA-N	1	0	363.487	1.963	20	30		FDEDRO
Cc1ccc(NC(=[NH2+])NCCS(=O)(=O)NC[C@H]2CCCCO2)cc1C	ZINC000267407393	536976682	/nfs/dbraw/zinc/97/66/82/536976682.db2.gz	HMCPKKKOESYJDF-MRXNPFEDSA-N	1	0	368.503	1.519	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCOc1ccc(C#N)cc1	ZINC000188962853	536978005	/nfs/dbraw/zinc/97/80/05/536978005.db2.gz	DVLMYQWYQSZTMP-OAHLLOKOSA-N	1	0	360.458	1.424	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccn(CCC#N)n2)CC1=O	ZINC000246660477	536998622	/nfs/dbraw/zinc/99/86/22/536998622.db2.gz	GSDWAARUBXLGIU-GJZGRUSLSA-N	1	0	358.446	1.068	20	30		FDEDRO
C[NH+]=C(NC[C@H](c1cccs1)N1CCCC1)N1CCN(C(C)=O)CC1	ZINC000263258144	537003322	/nfs/dbraw/zinc/00/33/22/537003322.db2.gz	RQRNSBSTPHODIH-MRXNPFEDSA-N	1	0	363.531	1.625	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000269923009	537029933	/nfs/dbraw/zinc/02/99/33/537029933.db2.gz	AZPWQVVHAVBCPZ-DRZCJDIDSA-N	1	0	351.809	1.478	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1CN1CCOCC1	ZINC000247266485	537102275	/nfs/dbraw/zinc/10/22/75/537102275.db2.gz	FPBZSZARASIPFE-PMACEKPBSA-N	1	0	360.498	1.951	20	30		FDEDRO
COC(=O)CSCCC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000263808759	537106156	/nfs/dbraw/zinc/10/61/56/537106156.db2.gz	XEEBIENVWREZPW-UHFFFAOYSA-N	1	0	363.483	1.745	20	30		FDEDRO
C[C@@H](C1CC1)n1cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cn1	ZINC000190000136	537125412	/nfs/dbraw/zinc/12/54/12/537125412.db2.gz	FWAVVHPOWAJYIF-AWEZNQCLSA-N	1	0	360.462	1.487	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1)[NH+](C)C	ZINC000265491287	537153157	/nfs/dbraw/zinc/15/31/57/537153157.db2.gz	CXLATAFAAJCREZ-OAHLLOKOSA-N	1	0	350.422	1.486	20	30		FDEDRO
C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000190289716	537161867	/nfs/dbraw/zinc/16/18/67/537161867.db2.gz	QHCSEPLTRPMVFW-ROUUACIJSA-N	1	0	369.469	1.252	20	30		FDEDRO
CC#CCNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1	ZINC000190535016	537177627	/nfs/dbraw/zinc/17/76/27/537177627.db2.gz	ZMHAMHAGCLBJPM-UHFFFAOYSA-N	1	0	356.470	1.543	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1F	ZINC000248578970	537193659	/nfs/dbraw/zinc/19/36/59/537193659.db2.gz	FBTSJKWSTOELMK-YDHLFZDLSA-N	1	0	367.446	1.099	20	30		FDEDRO
C[C@H]1CN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1CC(C)(C)O	ZINC000249310858	537233499	/nfs/dbraw/zinc/23/34/99/537233499.db2.gz	DPQIWPYFHHABKM-LPHOPBHVSA-N	1	0	370.497	1.831	20	30		FDEDRO
C[C@@H]1CN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1CC(C)(C)O	ZINC000249310854	537233513	/nfs/dbraw/zinc/23/35/13/537233513.db2.gz	DPQIWPYFHHABKM-APWZRJJASA-N	1	0	370.497	1.831	20	30		FDEDRO
C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(Nc2nccc(OC)n2)CC1	ZINC000192871884	537234816	/nfs/dbraw/zinc/23/48/16/537234816.db2.gz	XTTMRTKMCGGNRA-HNNXBMFYSA-N	1	0	359.474	1.951	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)CN1CC[N@@H+](CC(C)(C)O)C[C@H]1C	ZINC000249418993	537235258	/nfs/dbraw/zinc/23/52/58/537235258.db2.gz	WTMXRXQZRIICSX-IEBWSBKVSA-N	1	0	362.514	1.932	20	30		FDEDRO
CN(CCO)S(=O)(=O)c1ccccc1C[NH2+][C@@H]1CCC[C@H](C#N)C1	ZINC000192996711	537237701	/nfs/dbraw/zinc/23/77/01/537237701.db2.gz	NWSZEKLAZUHBFD-GOEBONIOSA-N	1	0	351.472	1.471	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N(C)Cc1ccc2c(c1)OCO2	ZINC000262776430	537254504	/nfs/dbraw/zinc/25/45/04/537254504.db2.gz	KAHHNSOAQYTXJP-HNNXBMFYSA-N	1	0	370.457	1.585	20	30		FDEDRO
C=C[C@H](CO)NC(=O)NCc1cn2cc(Br)cc(C)c2n1	ZINC000292979140	537269639	/nfs/dbraw/zinc/26/96/39/537269639.db2.gz	NBYRIASLJWYZDO-LLVKDONJSA-N	1	0	353.220	1.751	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)NCCC(=O)N1CCOCC1)C(C)C	ZINC000298748755	537297843	/nfs/dbraw/zinc/29/78/43/537297843.db2.gz	SUSQYTQOQZXLDA-QGZVFWFLSA-N	1	0	366.506	1.233	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C	ZINC000276184561	537323144	/nfs/dbraw/zinc/32/31/44/537323144.db2.gz	XUDWXHWCIBAYNS-XJKSGUPXSA-N	1	0	361.417	1.575	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NCC1([NH+](C)C)Cc2ccccc2C1	ZINC000282689289	537334048	/nfs/dbraw/zinc/33/40/48/537334048.db2.gz	PDNQTWNUCIHWEA-AWEZNQCLSA-N	1	0	350.488	1.011	20	30		FDEDRO
N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1	ZINC000282875812	537341766	/nfs/dbraw/zinc/34/17/66/537341766.db2.gz	WJTOCIZNLLRVGA-UXHICEINSA-N	1	0	366.465	1.811	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N(CCC[NH+](C)C)Cc1ccccc1	ZINC000282881876	537343951	/nfs/dbraw/zinc/34/39/51/537343951.db2.gz	CTVFJNAVMXBSDU-INIZCTEOSA-N	1	0	352.504	1.919	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NCC1CC[NH+](Cc2ccccc2)CC1	ZINC000282928436	537346664	/nfs/dbraw/zinc/34/66/64/537346664.db2.gz	TVNZIHUNWVYIEI-MRXNPFEDSA-N	1	0	364.515	1.824	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@@H](C)Cn1cccn1)C(C)C	ZINC000282934347	537348163	/nfs/dbraw/zinc/34/81/63/537348163.db2.gz	APGTYFIXZJUXQN-IRXDYDNUSA-N	1	0	361.490	1.203	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N(CC[NH+](C)C)Cc1ccccc1F	ZINC000283087928	537351304	/nfs/dbraw/zinc/35/13/04/537351304.db2.gz	WGDZOKJINBXQNB-CQSZACIVSA-N	1	0	356.467	1.668	20	30		FDEDRO
CC(=O)N1CCC(NC(=O)CN(Cc2ccc(C#N)cc2)C2CC2)CC1	ZINC000194964040	537355629	/nfs/dbraw/zinc/35/56/29/537355629.db2.gz	DWGXSLBPAJGNKI-UHFFFAOYSA-N	1	0	354.454	1.650	20	30		FDEDRO
C=C(C)CN(Cc1ccccc1)C(=O)NC1CCN(CC(=O)NC)CC1	ZINC000279955541	537358768	/nfs/dbraw/zinc/35/87/68/537358768.db2.gz	MFYZEOOCGAMVPY-UHFFFAOYSA-N	1	0	358.486	1.985	20	30		FDEDRO
CCc1nnc(CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)s1	ZINC000290498461	537361458	/nfs/dbraw/zinc/36/14/58/537361458.db2.gz	HLTSYFQQVFCYBK-NSHDSACASA-N	1	0	366.491	1.481	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(C2CC[NH+](Cc3ccc(F)cc3)CC2)C1=O	ZINC000348498265	537389536	/nfs/dbraw/zinc/38/95/36/537389536.db2.gz	KPFFUDKZHDCAOV-KRWDZBQOSA-N	1	0	361.417	1.913	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1	ZINC000283900319	537391219	/nfs/dbraw/zinc/39/12/19/537391219.db2.gz	CTQFRNDYPXXYPB-GOSISDBHSA-N	1	0	365.499	1.390	20	30		FDEDRO
C#CCNC(=O)c1ccc(N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)nc1	ZINC000364377062	537391955	/nfs/dbraw/zinc/39/19/55/537391955.db2.gz	AIILZICBTWEEEZ-MRXNPFEDSA-N	1	0	355.486	1.049	20	30		FDEDRO
C=CCC[C@H](O)C[N@H+]1CCC[C@@H](c2n[nH]cc2C(=O)NCCOC)C1	ZINC000364791162	537398714	/nfs/dbraw/zinc/39/87/14/537398714.db2.gz	QDOOUMYRXVMFOS-CABCVRRESA-N	1	0	350.463	1.292	20	30		FDEDRO
Cc1cc(CNC(=[NH2+])NCCCN2CCOCC2)cc(N2CCCC2)n1	ZINC000290741820	537400756	/nfs/dbraw/zinc/40/07/56/537400756.db2.gz	XHLNZCPOCLQICB-UHFFFAOYSA-N	1	0	360.506	1.117	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2c[nH]c3cc(F)ccc23)CC1	ZINC000284223714	537401548	/nfs/dbraw/zinc/40/15/48/537401548.db2.gz	STKXWUCHAVCUGV-UHFFFAOYSA-N	1	0	372.444	1.732	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cc(C)n(CCC#N)n2)CC1=O	ZINC000271124437	537404455	/nfs/dbraw/zinc/40/44/55/537404455.db2.gz	KNOIGKZEPRIZSS-CVEARBPZSA-N	1	0	372.473	1.377	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC[N@@H+](C2CCC2)C1	ZINC000293275951	537405698	/nfs/dbraw/zinc/40/56/98/537405698.db2.gz	BIMATBANZKTYNF-ZDUSSCGKSA-N	1	0	358.417	1.969	20	30		FDEDRO
N#Cc1cnc2ccccc2c1N1CC[NH+](CCCC(=O)NC(N)=O)CC1	ZINC000195415067	537409601	/nfs/dbraw/zinc/40/96/01/537409601.db2.gz	CENBSFDFYBFWJY-UHFFFAOYSA-N	1	0	366.425	1.204	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCN(Cc2ccc(N(C)CCC#N)cc2)CC1	ZINC000271192574	537411428	/nfs/dbraw/zinc/41/14/28/537411428.db2.gz	QJFSPRMWRSWSSC-UHFFFAOYSA-N	1	0	357.502	1.632	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)C(=O)/C=C/c1ccc(OCC#N)cc1	ZINC000293340870	537422544	/nfs/dbraw/zinc/42/25/44/537422544.db2.gz	JKVQLTSEBDMSJT-DHZHZOJOSA-N	1	0	358.486	1.944	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N(CCC#N)CCC[NH+](C)C)CC2)o1	ZINC000280552297	537427079	/nfs/dbraw/zinc/42/70/79/537427079.db2.gz	KCQOAPHTKBUZGE-UHFFFAOYSA-N	1	0	372.473	1.765	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000290851010	537427321	/nfs/dbraw/zinc/42/73/21/537427321.db2.gz	RDRDPSLRWNZWOK-YLJYHZDGSA-N	1	0	359.470	1.327	20	30		FDEDRO
CN(C(=[NH2+])NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)C1CC1	ZINC000273335688	537434008	/nfs/dbraw/zinc/43/40/08/537434008.db2.gz	KXHYZEAJOCCINK-HNNXBMFYSA-N	1	0	366.487	1.053	20	30		FDEDRO
C=CCn1c2ncn(C[C@H](O)C[N@@H+](C)C3CC3)c(=O)c2sc1=S	ZINC000290865919	537438113	/nfs/dbraw/zinc/43/81/13/537438113.db2.gz	ZDJXWMLUUFVDJS-LLVKDONJSA-N	1	0	352.485	1.630	20	30		FDEDRO
C=CCn1c2ncn(C[C@@H](O)C[N@@H+](C)C3CC3)c(=O)c2sc1=S	ZINC000290865922	537438909	/nfs/dbraw/zinc/43/89/09/537438909.db2.gz	ZDJXWMLUUFVDJS-NSHDSACASA-N	1	0	352.485	1.630	20	30		FDEDRO
COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1	ZINC000271485292	537446823	/nfs/dbraw/zinc/44/68/23/537446823.db2.gz	NYGBTSYSZVGLQS-LTFJSZEESA-N	1	0	372.425	1.528	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C	ZINC000284606670	537452669	/nfs/dbraw/zinc/45/26/69/537452669.db2.gz	XRNMLSIWXGFNGS-INIZCTEOSA-N	1	0	370.478	1.997	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1	ZINC000293447686	537465110	/nfs/dbraw/zinc/46/51/10/537465110.db2.gz	SEIFWJATNYIMRS-SFHVURJKSA-N	1	0	373.453	1.254	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(OC(F)(F)F)c1	ZINC000293467471	537476848	/nfs/dbraw/zinc/47/68/48/537476848.db2.gz	UNWZLIIRZCLCEL-UHFFFAOYSA-N	1	0	357.332	1.595	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(-c2ncco2)ccc1C	ZINC000293510505	537493943	/nfs/dbraw/zinc/49/39/43/537493943.db2.gz	XZXSZKXLLXJTSM-UHFFFAOYSA-N	1	0	354.410	1.660	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCCN(c3nccs3)CC2)cc1	ZINC000299239356	537501140	/nfs/dbraw/zinc/50/11/40/537501140.db2.gz	LMOOTVRUKXSJLZ-INIZCTEOSA-N	1	0	358.467	1.967	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000288640774	537526205	/nfs/dbraw/zinc/52/62/05/537526205.db2.gz	PDBSKAIXJLRPPB-UHFFFAOYSA-N	1	0	372.922	1.716	20	30		FDEDRO
CC#CCN(C)C(=O)C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000293615955	537535885	/nfs/dbraw/zinc/53/58/85/537535885.db2.gz	YUTFNJRXGGCQST-UHFFFAOYSA-N	1	0	356.470	1.244	20	30		FDEDRO
COc1cccc(C(=O)NCCNC(=[NH2+])N[C@H]2CCOc3ccccc32)c1	ZINC000304482872	537598866	/nfs/dbraw/zinc/59/88/66/537598866.db2.gz	KCUJRJYOQUNHFF-KRWDZBQOSA-N	1	0	368.437	1.853	20	30		FDEDRO
C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000275935432	537599945	/nfs/dbraw/zinc/59/99/45/537599945.db2.gz	WIJQZLWDFQLPRS-ZDUSSCGKSA-N	1	0	374.489	1.637	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)N=c1ccn(CCC#N)[nH]1	ZINC000363554178	537613009	/nfs/dbraw/zinc/61/30/09/537613009.db2.gz	CBRWDABHGZEMCZ-OWCLPIDISA-N	1	0	360.462	1.808	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](C[NH2+]C)C2)ccc1F	ZINC000237312455	537623413	/nfs/dbraw/zinc/62/34/13/537623413.db2.gz	PPFLUIUQIFXBFV-CYBMUJFWSA-N	1	0	369.462	1.362	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1	ZINC000293938526	537627807	/nfs/dbraw/zinc/62/78/07/537627807.db2.gz	QZJLRGVSTQEIOC-HXUWFJFHSA-N	1	0	366.469	1.705	20	30		FDEDRO
C#C[C@H]([NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1)C(C)(C)C	ZINC000289954018	537634883	/nfs/dbraw/zinc/63/48/83/537634883.db2.gz	BRMFMNKBEPTHMQ-HNNXBMFYSA-N	1	0	352.504	1.817	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@](C)(C[NH3+])C2CC2)ccc1F	ZINC000237638339	537635048	/nfs/dbraw/zinc/63/50/48/537635048.db2.gz	MHFMGKGIDZYXQX-INIZCTEOSA-N	1	0	355.435	1.147	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]3COc4ccccc4O3)CC2)C1=O	ZINC000329165377	537634949	/nfs/dbraw/zinc/63/49/49/537634949.db2.gz	HMVZXRVDEXHAEI-WMLDXEAASA-N	1	0	359.426	1.478	20	30		FDEDRO
O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)[C@@H]1OC[C@@H]2COCC[C@@H]12	ZINC000329599764	537639504	/nfs/dbraw/zinc/63/95/04/537639504.db2.gz	WWXIJDNFPOIRDT-LTFXXXRZSA-N	1	0	360.454	1.630	20	30		FDEDRO
C[C@@H]1[C@H](C)N(C(=O)Nc2ccccc2CN2C(=O)CCC2=O)CC[N@H+]1C	ZINC000329658259	537641081	/nfs/dbraw/zinc/64/10/81/537641081.db2.gz	HEEBCONZQNOIRE-KGLIPLIRSA-N	1	0	358.442	1.906	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O	ZINC000329713747	537642219	/nfs/dbraw/zinc/64/22/19/537642219.db2.gz	RYFGQIZLEDOJOC-GFEQUFNTSA-N	1	0	366.550	1.798	20	30		FDEDRO
CCC(=O)N1CC[C@H](NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1	ZINC000329957505	537647711	/nfs/dbraw/zinc/64/77/11/537647711.db2.gz	LYULSWBSLBLYAZ-HOCLYGCPSA-N	1	0	352.479	1.002	20	30		FDEDRO
CC(C)c1nc([C@@H]2CCCN2C(=O)NC[C@H]2C[N@H+](C)CCN2C)no1	ZINC000330224510	537652248	/nfs/dbraw/zinc/65/22/48/537652248.db2.gz	ASTAINKCGDVJEU-KBPBESRZSA-N	1	0	350.467	1.490	20	30		FDEDRO
CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)CC1	ZINC000330231915	537653019	/nfs/dbraw/zinc/65/30/19/537653019.db2.gz	RFWLCZQXMMPMGQ-CRAIPNDOSA-N	1	0	371.547	1.780	20	30		FDEDRO
CS(=O)(=O)C[C@@H]1CCCN(C(=O)NCC2CC[NH+](C3CC3)CC2)C1	ZINC000330358177	537654814	/nfs/dbraw/zinc/65/48/14/537654814.db2.gz	UMBLSXUTVUVVLK-OAHLLOKOSA-N	1	0	357.520	1.531	20	30		FDEDRO
C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C1	ZINC000330421429	537656594	/nfs/dbraw/zinc/65/65/94/537656594.db2.gz	RPRBOGYPWKEHTN-UXLLHSPISA-N	1	0	350.488	1.890	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1	ZINC000291670636	537657192	/nfs/dbraw/zinc/65/71/92/537657192.db2.gz	GHDZZSMCXJTQJH-OAQYLSRUSA-N	1	0	368.481	1.960	20	30		FDEDRO
C[C@@H](C[NH+](C)C)NC(=O)c1sccc1S(=O)(=O)N1CCOCC1	ZINC000330673842	537659666	/nfs/dbraw/zinc/65/96/66/537659666.db2.gz	HURUJIGTHQAYID-NSHDSACASA-N	1	0	361.489	1.024	20	30		FDEDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1	ZINC000330674493	537660027	/nfs/dbraw/zinc/66/00/27/537660027.db2.gz	IIESAWAJZZNEMW-LBPRGKRZSA-N	1	0	374.894	1.262	20	30		FDEDRO
CCC[C@H](C)C(=O)NCCNC(=[NH2+])NCCc1ccc(OC)c(OC)c1	ZINC000292222988	537718762	/nfs/dbraw/zinc/71/87/62/537718762.db2.gz	AEXFGLSLORIXGM-AWEZNQCLSA-N	1	0	364.490	1.703	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000285572515	537731624	/nfs/dbraw/zinc/73/16/24/537731624.db2.gz	WFPLFSIPUOUYKD-UHFFFAOYSA-N	1	0	360.458	1.261	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[N@@H+]2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)cc1	ZINC000375803506	537776530	/nfs/dbraw/zinc/77/65/30/537776530.db2.gz	CTIUKCOTRZRMPF-GBESFXJTSA-N	1	0	373.453	1.961	20	30		FDEDRO
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC[C@H](C[NH+]2CCN(C)CC2)C1	ZINC000371266276	537796680	/nfs/dbraw/zinc/79/66/80/537796680.db2.gz	KUZPUIIDPVDAFS-UYAOXDASSA-N	1	0	370.497	1.732	20	30		FDEDRO
N#Cc1cccc(CS(=O)(=O)N2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)c1	ZINC000366653421	537809294	/nfs/dbraw/zinc/80/92/94/537809294.db2.gz	MYAJUAUFALWCRN-ROUUACIJSA-N	1	0	363.483	1.309	20	30		FDEDRO
CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)N(C)C[C@@H](C)C#N	ZINC000409515025	537857106	/nfs/dbraw/zinc/85/71/06/537857106.db2.gz	RUUBVOPQZPZKIZ-ZDUSSCGKSA-N	1	0	372.457	1.919	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)CC1	ZINC000410195831	537881271	/nfs/dbraw/zinc/88/12/71/537881271.db2.gz	NAYODHSIZHIBTI-GDBMZVCRSA-N	1	0	372.535	1.044	20	30		FDEDRO
COC(=O)[C@H]1CN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@H+](C)C1	ZINC000411923963	537904608	/nfs/dbraw/zinc/90/46/08/537904608.db2.gz	WVVFYHCMIONAAT-SJLPKXTDSA-N	1	0	370.453	1.090	20	30		FDEDRO
N#Cc1cc(NC(=O)N2CCO[C@H](C[NH3+])C2)ccc1OCC(F)(F)F	ZINC000414831249	537923823	/nfs/dbraw/zinc/92/38/23/537923823.db2.gz	CECOZVVPLJEBAU-GFCCVEGCSA-N	1	0	358.320	1.691	20	30		FDEDRO
N#Cc1cccc(CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1	ZINC000416991381	537979389	/nfs/dbraw/zinc/97/93/89/537979389.db2.gz	KKKIAKXODWFXRK-AWEZNQCLSA-N	1	0	355.364	1.194	20	30		FDEDRO
N#Cc1cccc(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1	ZINC000416991387	537979703	/nfs/dbraw/zinc/97/97/03/537979703.db2.gz	KKKIAKXODWFXRK-CQSZACIVSA-N	1	0	355.364	1.194	20	30		FDEDRO
Cc1ccc([C@@H](CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)[NH+](C)C)cc1	ZINC000369219436	538005682	/nfs/dbraw/zinc/00/56/82/538005682.db2.gz	OAMSBDIJAPKOAK-RBUKOAKNSA-N	1	0	355.486	1.980	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C	ZINC000415464483	538062996	/nfs/dbraw/zinc/06/29/96/538062996.db2.gz	CVCLZIBZQQNEAD-SWLSCSKDSA-N	1	0	362.430	1.818	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)NC[C@@H]3CCC[C@@H]([NH3+])C3)CC2)cc1	ZINC000418721867	538100470	/nfs/dbraw/zinc/10/04/70/538100470.db2.gz	MMKYGVSIIPICFZ-RTBURBONSA-N	1	0	355.486	1.903	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1	ZINC000419902493	538139042	/nfs/dbraw/zinc/13/90/42/538139042.db2.gz	UQTFWFFQRQBYDQ-QZTJIDSGSA-N	1	0	357.454	1.458	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)NCC[C@H]1CC[NH2+]C1	ZINC000419918044	538146740	/nfs/dbraw/zinc/14/67/40/538146740.db2.gz	TUWICTMJZQZNFB-NXHRZFHOSA-N	1	0	354.454	1.401	20	30		FDEDRO
C=CCC[C@@H]1NC(=O)N(CCN2CC[NH+](Cc3ccccc3)CC2)C1=O	ZINC000419930806	538151641	/nfs/dbraw/zinc/15/16/41/538151641.db2.gz	YZAUDCZJOSDGFX-SFHVURJKSA-N	1	0	356.470	1.691	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)C[C@]12C(=O)Nc1ccccc12	ZINC000426979980	538152808	/nfs/dbraw/zinc/15/28/08/538152808.db2.gz	HCRZBSFQZKLHQI-DUXSXAKTSA-N	1	0	350.422	1.485	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)C1	ZINC000423739634	538155644	/nfs/dbraw/zinc/15/56/44/538155644.db2.gz	RJPMEONUXPBSEQ-OWLYRPNTSA-N	1	0	354.454	1.338	20	30		FDEDRO
CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C#N)n1C	ZINC000450817766	538159493	/nfs/dbraw/zinc/15/94/93/538159493.db2.gz	GEAWHQHWIFAOQF-FQEVSTJZSA-N	1	0	352.438	1.606	20	30		FDEDRO
CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCCN(c2ccccc2C#N)CC1	ZINC000419947681	538160104	/nfs/dbraw/zinc/16/01/04/538160104.db2.gz	DCHITMIUMDEPCA-QGZVFWFLSA-N	1	0	371.485	1.087	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+]	ZINC000420018804	538189420	/nfs/dbraw/zinc/18/94/20/538189420.db2.gz	QIYISWMYBCKGKB-MSOLQXFVSA-N	1	0	356.470	1.929	20	30		FDEDRO
CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	ZINC000420076805	538205328	/nfs/dbraw/zinc/20/53/28/538205328.db2.gz	BAULDMRNICYYBY-DLBZAZTESA-N	1	0	356.470	1.918	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1	ZINC000420088011	538211670	/nfs/dbraw/zinc/21/16/70/538211670.db2.gz	DDFKDZNVRKVVAV-YOEHRIQHSA-N	1	0	365.424	1.951	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	ZINC000420112895	538224173	/nfs/dbraw/zinc/22/41/73/538224173.db2.gz	HWIWPCDFRQNXDP-NRSFXHEJSA-N	1	0	354.454	1.399	20	30		FDEDRO
CCC[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)C(=O)N1CCc2sccc2C1	ZINC000424112356	538236234	/nfs/dbraw/zinc/23/62/34/538236234.db2.gz	JJAYTQFIMCCHHK-HUUCEWRRSA-N	1	0	362.499	1.939	20	30		FDEDRO
CNC(=O)CN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]([NH3+])CCCC#N	ZINC000424116091	538238244	/nfs/dbraw/zinc/23/82/44/538238244.db2.gz	BHKAXDWZKWSNNG-AWEZNQCLSA-N	1	0	370.375	1.801	20	30		FDEDRO
COc1ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc1S(=O)(=O)NC1CC1	ZINC000424124564	538241075	/nfs/dbraw/zinc/24/10/75/538241075.db2.gz	MLRQTGXZVXGXNL-ZDUSSCGKSA-N	1	0	366.443	1.096	20	30		FDEDRO
COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC#N	ZINC000424124063	538241182	/nfs/dbraw/zinc/24/11/82/538241182.db2.gz	LRRGMGUYYRMIRO-HOCLYGCPSA-N	1	0	358.442	1.954	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)NCCC1=CC[NH2+]CC1	ZINC000420162963	538243983	/nfs/dbraw/zinc/24/39/83/538243983.db2.gz	JOMOFNJMCRVLDV-RTBURBONSA-N	1	0	366.465	1.711	20	30		FDEDRO
COc1cc(CN2CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)C2)cc(OC)c1	ZINC000424150822	538245796	/nfs/dbraw/zinc/24/57/96/538245796.db2.gz	ZOSLDZARAPJQPV-MAUKXSAKSA-N	1	0	360.458	1.415	20	30		FDEDRO
COc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)N2CCOCC2)cc1	ZINC000424145892	538246001	/nfs/dbraw/zinc/24/60/01/538246001.db2.gz	ZUXVZDWJDNUNLC-ZWKOTPCHSA-N	1	0	360.458	1.206	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NCc1cc(OC)c(OC)cc1OC	ZINC000451675242	538299122	/nfs/dbraw/zinc/29/91/22/538299122.db2.gz	BUDBTOCBAQTPIK-CABCVRRESA-N	1	0	364.442	1.652	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)NCCOc2ccc(C#N)cc2)CC1(C)C	ZINC000441034265	538301858	/nfs/dbraw/zinc/30/18/58/538301858.db2.gz	TXZNERLQCOLZOF-UHFFFAOYSA-N	1	0	359.474	1.262	20	30		FDEDRO
CCN(CC)C(=O)C[NH+]1CCC(NC(=O)COc2ccccc2C#N)CC1	ZINC000560512280	545531675	/nfs/dbraw/zinc/53/16/75/545531675.db2.gz	DNEWHBVDHMBRIX-UHFFFAOYSA-N	1	0	372.469	1.386	20	30		FDEDRO
Cc1cc(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)nn1-c1cccc(C#N)c1	ZINC000452369759	538383961	/nfs/dbraw/zinc/38/39/61/538383961.db2.gz	RUHVZIYIUMQBFR-GOSISDBHSA-N	1	0	367.453	1.629	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)cnc1C(F)(F)F	ZINC000452379086	538385761	/nfs/dbraw/zinc/38/57/61/538385761.db2.gz	QDAFOQWABIISOQ-ZDUSSCGKSA-N	1	0	356.348	1.549	20	30		FDEDRO
C[NH+]1CCC(NC(=O)COc2cccc(Br)c2C#N)CC1	ZINC000449137126	538420035	/nfs/dbraw/zinc/42/00/35/538420035.db2.gz	DOTWTUKBTZVQCL-UHFFFAOYSA-N	1	0	352.232	1.910	20	30		FDEDRO
C=CCOc1cccc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2CCO)c1	ZINC000453824511	538459351	/nfs/dbraw/zinc/45/93/51/538459351.db2.gz	TUUAUFFKDFDHOJ-MRXNPFEDSA-N	1	0	361.442	1.153	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C1	ZINC000471649492	538532623	/nfs/dbraw/zinc/53/26/23/538532623.db2.gz	PQRJFFXCVZPARW-RBUKOAKNSA-N	1	0	354.454	1.714	20	30		FDEDRO
Cn1ncc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1C#N	ZINC000476663208	538542249	/nfs/dbraw/zinc/54/22/49/538542249.db2.gz	TYZKRKGYYQAMQD-INIZCTEOSA-N	1	0	353.426	1.178	20	30		FDEDRO
CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000501002626	538597966	/nfs/dbraw/zinc/59/79/66/538597966.db2.gz	VIPZOSCLONFWHA-OAHLLOKOSA-N	1	0	357.451	1.474	20	30		FDEDRO
CC(C)[C@@H]1CN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC[N@@H+]1C	ZINC000487214563	538622762	/nfs/dbraw/zinc/62/27/62/538622762.db2.gz	GXMXEUWPJXLAJU-INIZCTEOSA-N	1	0	353.430	1.943	20	30		FDEDRO
CS[C@H]1CN(C(=O)CCc2c(C)nn(CCC#N)c2C)C[C@H]1[NH+](C)C	ZINC000495565333	538671843	/nfs/dbraw/zinc/67/18/43/538671843.db2.gz	OCBFXRHYDNOMAI-SJORKVTESA-N	1	0	363.531	1.850	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CNC(=O)c2c(F)cccc2Cl)CC1	ZINC000502786706	538757815	/nfs/dbraw/zinc/75/78/15/538757815.db2.gz	BLUOCQJIKQZXHQ-UHFFFAOYSA-N	1	0	353.825	1.976	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C)c2C#N)C1	ZINC000473708130	538794775	/nfs/dbraw/zinc/79/47/75/538794775.db2.gz	YRVSMNVKGWVRCN-MRXNPFEDSA-N	1	0	372.469	1.765	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC(OCCC(=O)NC)CC2)CC1	ZINC000489237546	538800533	/nfs/dbraw/zinc/80/05/33/538800533.db2.gz	UITROEPMSLVVIT-UHFFFAOYSA-N	1	0	366.506	1.354	20	30		FDEDRO
CCOC[C@@H]([NH2+]CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C(C)C	ZINC000503463407	538804748	/nfs/dbraw/zinc/80/47/48/538804748.db2.gz	NOVSSHRSRMTZRC-MRXNPFEDSA-N	1	0	363.462	1.154	20	30		FDEDRO
CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc(C#N)c(F)c2)CC1	ZINC000489535465	538820490	/nfs/dbraw/zinc/82/04/90/538820490.db2.gz	WFRFCCHZXZOCAW-AWEZNQCLSA-N	1	0	368.478	1.249	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)cc1C(F)(F)F	ZINC000471217156	538848933	/nfs/dbraw/zinc/84/89/33/538848933.db2.gz	VSUXDTIMMAZJBG-UHFFFAOYSA-N	1	0	366.343	1.822	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)NCC3CC[NH2+]CC3)n2)c(Cl)c1	ZINC000561017838	545654642	/nfs/dbraw/zinc/65/46/42/545654642.db2.gz	JIMYIYAHSJOGKS-UHFFFAOYSA-N	1	0	358.833	2.518	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCCOc2ccccc2C)CC1	ZINC000561193185	545737798	/nfs/dbraw/zinc/73/77/98/545737798.db2.gz	IYBAJGAESMXIKT-UHFFFAOYSA-N	1	0	359.470	1.647	20	30		FDEDRO
C[C@H]1C[NH+](CC2CCN(C(=O)C(=O)NCCCCC#N)CC2)C[C@H](C)O1	ZINC000561350774	545813970	/nfs/dbraw/zinc/81/39/70/545813970.db2.gz	IXDRQPRYWXAJQO-HOTGVXAUSA-N	1	0	364.490	1.144	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@H]1C	ZINC000561353223	545814946	/nfs/dbraw/zinc/81/49/46/545814946.db2.gz	CUIQTBPBHQHDGB-SJORKVTESA-N	1	0	353.507	1.664	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC(CCCO)CC2)CC1	ZINC000561413405	545838070	/nfs/dbraw/zinc/83/80/70/545838070.db2.gz	FIGZOEIWQJLWCC-UHFFFAOYSA-N	1	0	351.491	1.154	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N(C)CCC[NH+]1CCCC1	ZINC000561962282	545994052	/nfs/dbraw/zinc/99/40/52/545994052.db2.gz	XONIVIUIFQTTKE-UHFFFAOYSA-N	1	0	359.470	1.812	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](c3ccncc3)C2)CC1	ZINC000562478862	546152334	/nfs/dbraw/zinc/15/23/34/546152334.db2.gz	PWHGJPNVLKVPOF-MOPGFXCFSA-N	1	0	355.486	1.563	20	30		FDEDRO
CCC[C@H]1C[NH2+]CCN1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000562813617	546280862	/nfs/dbraw/zinc/28/08/62/546280862.db2.gz	KMXURUXSNHUOIV-ROUUACIJSA-N	1	0	369.469	1.443	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]CC1CCN(C(=O)c2ccccc2)CC1	ZINC000562996972	546347187	/nfs/dbraw/zinc/34/71/87/546347187.db2.gz	VECIWMXRXAJWKA-IBGZPJMESA-N	1	0	358.486	1.335	20	30		FDEDRO
CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)[C@@H]1n1cccn1	ZINC000563000034	546349411	/nfs/dbraw/zinc/34/94/11/546349411.db2.gz	HKJOOPOMMDTONM-KANFNMMFSA-N	1	0	356.426	1.503	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@H](CO)c2ccc(F)cc2)cc1	ZINC000563137502	546420168	/nfs/dbraw/zinc/42/01/68/546420168.db2.gz	GEOSRTXJZRDWGV-MJGOQNOKSA-N	1	0	358.413	1.997	20	30		FDEDRO
CN1CC[NH+](CC2CCN(Cc3cnc4c(C#N)cnn4c3)CC2)CC1	ZINC000563150870	546426535	/nfs/dbraw/zinc/42/65/35/546426535.db2.gz	RXFUKZIOOWFQCT-UHFFFAOYSA-N	1	0	353.474	1.060	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1	ZINC000563895876	546727151	/nfs/dbraw/zinc/72/71/51/546727151.db2.gz	XKVFNOCNIFCCJU-CZUORRHYSA-N	1	0	354.414	1.239	20	30		FDEDRO
C[C@@H](O)CN(CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1	ZINC000564146240	546821935	/nfs/dbraw/zinc/82/19/35/546821935.db2.gz	BRSYOZSMTVQWEB-OAHLLOKOSA-N	1	0	359.451	1.610	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)c1C#N	ZINC000564575584	546960553	/nfs/dbraw/zinc/96/05/53/546960553.db2.gz	RJQOBIRGXIQBAT-GXTWGEPZSA-N	1	0	362.503	1.638	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]CCN1CCc2c(Cl)cccc2C1	ZINC000564871437	547076094	/nfs/dbraw/zinc/07/60/94/547076094.db2.gz	DBRQHYYJQSAGKE-INIZCTEOSA-N	1	0	350.894	1.494	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)n1	ZINC000564945272	547119481	/nfs/dbraw/zinc/11/94/81/547119481.db2.gz	GJPVTRCZJWDZNL-INIZCTEOSA-N	1	0	365.393	1.097	20	30		FDEDRO
CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@@H](O)COc3ccc(CC#N)cc3)[C@@H]2C1	ZINC000565272909	547283648	/nfs/dbraw/zinc/28/36/48/547283648.db2.gz	XITIKHFQMAWJQN-ZSXPUABSSA-N	1	0	371.481	1.729	20	30		FDEDRO
COC[C@H](C)OC[C@@H](O)C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000565535938	547389165	/nfs/dbraw/zinc/38/91/65/547389165.db2.gz	PMEKRSVIOQSCCM-UAGQMJEPSA-N	1	0	365.449	1.668	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCOCC(F)(F)F)cc1	ZINC000565711298	547451394	/nfs/dbraw/zinc/45/13/94/547451394.db2.gz	QTEDRKLGIKZJAB-UHFFFAOYSA-N	1	0	350.362	1.891	20	30		FDEDRO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c1	ZINC000565959309	547548512	/nfs/dbraw/zinc/54/85/12/547548512.db2.gz	MBUNANMECWHCMN-NEWSRXKRSA-N	1	0	358.486	1.545	20	30		FDEDRO
N#Cc1c(CN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)cn2ccccc12	ZINC000565991914	547558327	/nfs/dbraw/zinc/55/83/27/547558327.db2.gz	XWJUKMJWUCEBGT-QGZVFWFLSA-N	1	0	351.454	1.597	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CC[C@]4(C3)CCC[NH2+]C4)cc2C1=O	ZINC000566102161	547602063	/nfs/dbraw/zinc/60/20/63/547602063.db2.gz	RSHNCQBCOMLWMJ-HXUWFJFHSA-N	1	0	353.422	1.684	20	30		FDEDRO
CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)[C@@H]1n1cccn1	ZINC000566122150	547614646	/nfs/dbraw/zinc/61/46/46/547614646.db2.gz	YSIHLNIFOCQICN-FFGOWVMKSA-N	1	0	370.453	1.697	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1	ZINC000566338082	547720298	/nfs/dbraw/zinc/72/02/98/547720298.db2.gz	MCPFFZQHPLVXGN-HIFRSBDPSA-N	1	0	372.922	1.911	20	30		FDEDRO
N#C[C@H]1CC[C@@H](NC(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)C1	ZINC000566557713	547804803	/nfs/dbraw/zinc/80/48/03/547804803.db2.gz	HTLJQSIWQBTJLV-OTWHNJEPSA-N	1	0	356.470	1.921	20	30		FDEDRO
N#Cc1ccc(O[C@H]2CCN(CC(=O)NC3CC[NH+](C4CC4)CC3)C2)nc1	ZINC000567327227	548078133	/nfs/dbraw/zinc/07/81/33/548078133.db2.gz	GKKDQALIZKUCOG-SFHVURJKSA-N	1	0	369.469	1.149	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2=O)cc1	ZINC000567694134	548216682	/nfs/dbraw/zinc/21/66/82/548216682.db2.gz	JKLZEHPSLZBJRV-MJGOQNOKSA-N	1	0	369.396	1.832	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2=O)cc1	ZINC000567694135	548217077	/nfs/dbraw/zinc/21/70/77/548217077.db2.gz	JKLZEHPSLZBJRV-PKOBYXMFSA-N	1	0	369.396	1.832	20	30		FDEDRO
N#CCc1ccc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C[NH3+])C2=O)cc1	ZINC000567808372	548267628	/nfs/dbraw/zinc/26/76/28/548267628.db2.gz	OHUCGTJJVPVITP-IFXJQAMLSA-N	1	0	369.425	1.131	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)cc1OCCCC#N	ZINC000567904668	548319152	/nfs/dbraw/zinc/31/91/52/548319152.db2.gz	HGNMTQUJZCHMCE-OAHLLOKOSA-N	1	0	367.471	1.501	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1OC	ZINC000568033856	548371074	/nfs/dbraw/zinc/37/10/74/548371074.db2.gz	RMPITYBJAJTZJU-ZBFHGGJFSA-N	1	0	361.442	1.545	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]CCNC(=O)c2ccc(Cl)cc2)cc1	ZINC000568384085	548514206	/nfs/dbraw/zinc/51/42/06/548514206.db2.gz	WIWWQWBZARWDHV-QGZVFWFLSA-N	1	0	373.840	1.971	20	30		FDEDRO
N#Cc1cccnc1OC1CCC([NH2+][C@H](C2CC2)[C@@H]2CNCCO2)CC1	ZINC000568499926	548562000	/nfs/dbraw/zinc/56/20/00/548562000.db2.gz	ZSECQGWPPMVEDH-WZOJCFFYSA-N	1	0	356.470	2.000	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Br	ZINC000569457453	548925845	/nfs/dbraw/zinc/92/58/45/548925845.db2.gz	UUCFGTSLVHFMGO-NEPJUHHUSA-N	1	0	370.272	1.551	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1	ZINC000569546334	548955645	/nfs/dbraw/zinc/95/56/45/548955645.db2.gz	ZFXDQPWWWOUTMJ-JKSUJKDBSA-N	1	0	351.491	1.417	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CC[C@@H]2C(=O)Nc3ccccc32)nc1	ZINC000569803217	549052815	/nfs/dbraw/zinc/05/28/15/549052815.db2.gz	IDNNQHDCGUUBHE-HNNXBMFYSA-N	1	0	370.434	1.443	20	30		FDEDRO
CCO[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)[C@@H]1n1cccn1	ZINC000569804185	549053338	/nfs/dbraw/zinc/05/33/38/549053338.db2.gz	LDTNGOJFSVSFLO-KSZLIROESA-N	1	0	374.466	1.537	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)cc1	ZINC000570794586	549413265	/nfs/dbraw/zinc/41/32/65/549413265.db2.gz	ZBSJIMWPZQGUMP-MJGOQNOKSA-N	1	0	365.433	1.887	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CC(=O)N(C(C)C)C2)c(OC)c1	ZINC000570920302	549459555	/nfs/dbraw/zinc/45/95/55/549459555.db2.gz	GGSKVSIOWCTKJE-IRXDYDNUSA-N	1	0	362.470	1.762	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1	ZINC000571070118	549515885	/nfs/dbraw/zinc/51/58/85/549515885.db2.gz	GZBSAYMIMSLAPV-IKGGRYGDSA-N	1	0	351.491	1.320	20	30		FDEDRO
C[C@@]1(CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CCC[NH2+]C1	ZINC000571865617	549785152	/nfs/dbraw/zinc/78/51/52/549785152.db2.gz	WDMPIKWFQKKSLW-HXUWFJFHSA-N	1	0	355.486	1.775	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)n2)c(F)c1	ZINC000572224732	549868116	/nfs/dbraw/zinc/86/81/16/549868116.db2.gz	LXEOSVFEKURXPM-ZIAGYGMSSA-N	1	0	354.389	1.956	20	30		FDEDRO
C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2cnc3c(C#N)cnn3c2)CC1	ZINC000572405514	549907293	/nfs/dbraw/zinc/90/72/93/549907293.db2.gz	UGTJICDOQRKCKB-IRXDYDNUSA-N	1	0	367.501	1.591	20	30		FDEDRO
COC[C@H](C)OC[C@@H](O)C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000573239080	550094692	/nfs/dbraw/zinc/09/46/92/550094692.db2.gz	SAPCTEALNHEYST-JCGIZDLHSA-N	1	0	361.442	1.056	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CC(=O)N(c3ccccc3)C2)cc1	ZINC000573357535	550119818	/nfs/dbraw/zinc/11/98/18/550119818.db2.gz	DCLWLYOFPHUTNY-FUHWJXTLSA-N	1	0	351.406	1.693	20	30		FDEDRO
C[NH+]1CCC(CNC(=O)Nc2ccc(C#N)cc2)(N2CCOCC2)CC1	ZINC000574290776	550290234	/nfs/dbraw/zinc/29/02/34/550290234.db2.gz	QCSIARJCPIORBC-UHFFFAOYSA-N	1	0	357.458	1.476	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)[C@]3(c4ccccc4)CC[NH2+]C3)CC2)c1	ZINC000574364292	550302038	/nfs/dbraw/zinc/30/20/38/550302038.db2.gz	VCAQBCDUDZHZGH-OAQYLSRUSA-N	1	0	361.449	1.533	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)ncc1C#N	ZINC000574888651	550386833	/nfs/dbraw/zinc/38/68/33/550386833.db2.gz	FHYAIMSTFQFMHR-MRXNPFEDSA-N	1	0	357.458	1.827	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC2CCC(N3CC[NH2+]CC3)CC2)s1	ZINC000575332123	550454110	/nfs/dbraw/zinc/45/41/10/550454110.db2.gz	ONFSEMYQWGHKBB-UHFFFAOYSA-N	1	0	354.501	1.114	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCN(c3ccccc3)C2=O)cc1	ZINC000575377454	550459034	/nfs/dbraw/zinc/45/90/34/550459034.db2.gz	RIKWNJVUDZDXDM-PKOBYXMFSA-N	1	0	351.406	1.693	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(CCO)CC2CCCCC2)CC1	ZINC000575771414	550474396	/nfs/dbraw/zinc/47/43/96/550474396.db2.gz	GFQUFIXGORDHTR-UHFFFAOYSA-N	1	0	351.491	1.154	20	30		FDEDRO
N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC(=O)N(CCN3CCOCC3)C1)CC2	ZINC000575959432	550495137	/nfs/dbraw/zinc/49/51/37/550495137.db2.gz	YBGZLYZPCYIJSU-HKUYNNGSSA-N	1	0	354.454	1.068	20	30		FDEDRO
C[C@H](CCNC(=O)C(=O)N1CCC(C#N)CC1)[N@H+](C)Cc1ccccc1	ZINC000576547419	550560986	/nfs/dbraw/zinc/56/09/86/550560986.db2.gz	ICPXBDIBWSUDGP-MRXNPFEDSA-N	1	0	356.470	1.775	20	30		FDEDRO
Cc1cccc(S(=O)(=O)NCc2ccncc2OCC[NH+](C)C)c1C#N	ZINC000577415754	550654254	/nfs/dbraw/zinc/65/42/54/550654254.db2.gz	HFLIUHWKNPKJGE-UHFFFAOYSA-N	1	0	374.466	1.681	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)NCC[C@H]3CCC[NH2+]C3)C2=O)cc1	ZINC000578173004	550735565	/nfs/dbraw/zinc/73/55/65/550735565.db2.gz	XJYLASXNGQRKOJ-SJLPKXTDSA-N	1	0	369.469	1.743	20	30		FDEDRO
N#Cc1ccc(NC(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1	ZINC000578483268	550768150	/nfs/dbraw/zinc/76/81/50/550768150.db2.gz	JLNZHKJAIFUTQW-RDJZCZTQSA-N	1	0	355.442	1.670	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1	ZINC000579089507	550834138	/nfs/dbraw/zinc/83/41/38/550834138.db2.gz	KHKYITDWZVMGLA-LJQANCHMSA-N	1	0	368.481	1.994	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)cc1	ZINC000579223549	550849185	/nfs/dbraw/zinc/84/91/85/550849185.db2.gz	AJXFKGSDCQVULP-HZPDHXFCSA-N	1	0	369.396	1.832	20	30		FDEDRO
N#Cc1cccc(NC(=O)CCN2CCC(CO)([NH2+]CC3CC3)CC2)c1	ZINC000579237036	550850913	/nfs/dbraw/zinc/85/09/13/550850913.db2.gz	RMAHOZVUYDQHPZ-UHFFFAOYSA-N	1	0	356.470	1.713	20	30		FDEDRO
C[N@@H+]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1	ZINC000579445974	550873998	/nfs/dbraw/zinc/87/39/98/550873998.db2.gz	SYCDKXLHDOCRPU-IBGZPJMESA-N	1	0	373.476	1.172	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@H](O)CN(C)CCC#N)cc1Br	ZINC000579704026	550901573	/nfs/dbraw/zinc/90/15/73/550901573.db2.gz	VNTBLSGJJHLFIT-ZDUSSCGKSA-N	1	0	356.264	1.754	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)N[C@H]3CCCC[C@H]3C[NH3+])CC2)c1C#N	ZINC000580053382	550937898	/nfs/dbraw/zinc/93/78/98/550937898.db2.gz	ABXHCHDVVDJVBL-ZFWWWQNUSA-N	1	0	362.503	1.672	20	30		FDEDRO
C=CCn1c(-c2nnn(C)c2C)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C	ZINC000580158264	550948703	/nfs/dbraw/zinc/94/87/03/550948703.db2.gz	NVAWNGCXGYGXJM-UKRRQHHQSA-N	1	0	358.494	1.735	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1	ZINC000580760003	551015173	/nfs/dbraw/zinc/01/51/73/551015173.db2.gz	CKHHKHXEZXEHKG-LJQANCHMSA-N	1	0	355.482	1.940	20	30		FDEDRO
C=CCNc1ncc(C(=O)NCc2ccncc2OCC[NH+](C)C)s1	ZINC000580805864	551020309	/nfs/dbraw/zinc/02/03/09/551020309.db2.gz	KQNUMPHLWGBLFG-UHFFFAOYSA-N	1	0	361.471	2.006	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1	ZINC000580867413	551026821	/nfs/dbraw/zinc/02/68/21/551026821.db2.gz	UBEVFAZZLVYTIX-OAHLLOKOSA-N	1	0	356.426	1.450	20	30		FDEDRO
Cn1ccnc1[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCO1	ZINC000580947352	551035743	/nfs/dbraw/zinc/03/57/43/551035743.db2.gz	AEFKHHGJOKQDFI-NVXWUHKLSA-N	1	0	374.466	1.575	20	30		FDEDRO
COc1cc(C[NH2+]C2CCN(CCN3CCOCC3)CC2)ccc1C#N	ZINC000581161812	551058382	/nfs/dbraw/zinc/05/83/82/551058382.db2.gz	PUZPTLXDARIZIL-UHFFFAOYSA-N	1	0	358.486	1.453	20	30		FDEDRO
Cn1nccc1[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CCO1	ZINC000581306084	551074302	/nfs/dbraw/zinc/07/43/02/551074302.db2.gz	NTSMPJLBWWVDLF-FCEWJHQRSA-N	1	0	356.426	1.541	20	30		FDEDRO
N#CCc1ccc(CNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1	ZINC000581308728	551074521	/nfs/dbraw/zinc/07/45/21/551074521.db2.gz	CIPIPAXQFCGJNJ-GOSISDBHSA-N	1	0	369.469	1.106	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCOC[C@H]1C1CC1)C(C)C	ZINC000581360474	551080125	/nfs/dbraw/zinc/08/01/25/551080125.db2.gz	GVDPMZPJERKWGM-ROUUACIJSA-N	1	0	363.502	1.439	20	30		FDEDRO
CC[NH+]1CCC(N2CCCN(C(=O)c3ccc(C#N)c(C)n3)CC2)CC1	ZINC000581660923	551118459	/nfs/dbraw/zinc/11/84/59/551118459.db2.gz	KNOZOFHHBUUWJB-UHFFFAOYSA-N	1	0	355.486	1.894	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1	ZINC000581881832	551144604	/nfs/dbraw/zinc/14/46/04/551144604.db2.gz	NJRVKTLSAYBLGY-GXTWGEPZSA-N	1	0	363.849	1.933	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCc2ccc(C#N)s2)CC1=O	ZINC000582056263	551169265	/nfs/dbraw/zinc/16/92/65/551169265.db2.gz	GBPFHQNICCRCRN-UONOGXRCSA-N	1	0	360.483	1.569	20	30		FDEDRO
C[C@@H]([NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C)c1cccc(C#N)c1	ZINC000583016765	551291391	/nfs/dbraw/zinc/29/13/91/551291391.db2.gz	HFTWVECUWMQCDA-RHSMWYFYSA-N	1	0	350.488	1.870	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1	ZINC000583378855	551342570	/nfs/dbraw/zinc/34/25/70/551342570.db2.gz	PXUWRJDAJLKNJP-AWEZNQCLSA-N	1	0	363.849	1.933	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1	ZINC000583714063	551391649	/nfs/dbraw/zinc/39/16/49/551391649.db2.gz	ZMXNAWNORASTEF-CVEARBPZSA-N	1	0	351.491	1.322	20	30		FDEDRO
CCO[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)[C@@]12CCCO2	ZINC000583808295	551404677	/nfs/dbraw/zinc/40/46/77/551404677.db2.gz	JDHKCABHSUZIRY-UXLLHSPISA-N	1	0	365.455	1.043	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cn2)[C@@H](C)C1	ZINC000583886179	551416460	/nfs/dbraw/zinc/41/64/60/551416460.db2.gz	AELBMDNJPRAELM-GOEBONIOSA-N	1	0	373.457	1.145	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@@H]3CCC[NH2+]C3)C2=O)cc1	ZINC000583921028	551421053	/nfs/dbraw/zinc/42/10/53/551421053.db2.gz	FUZWUMZXGRTCII-WBVHZDCISA-N	1	0	355.442	1.352	20	30		FDEDRO
C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)C2)C1	ZINC000584036585	551437497	/nfs/dbraw/zinc/43/74/97/551437497.db2.gz	QJEGHJHGONKLCH-IBGZPJMESA-N	1	0	368.416	2.443	20	30		FDEDRO
COc1cc(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)ccc1C	ZINC000584227185	551466890	/nfs/dbraw/zinc/46/68/90/551466890.db2.gz	JBATZAQCYVVAMV-UHFFFAOYSA-N	1	0	359.451	1.876	20	30		FDEDRO
N#CCCn1cc(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c(-c2ccncc2)n1	ZINC000584236451	551468843	/nfs/dbraw/zinc/46/88/43/551468843.db2.gz	IICFEIBGVRWSLL-OAHLLOKOSA-N	1	0	364.453	1.959	20	30		FDEDRO
CC1=CC[N@H+](CCNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1	ZINC000584267833	551472357	/nfs/dbraw/zinc/47/23/57/551472357.db2.gz	MUESBRVCHFHTAO-KRWDZBQOSA-N	1	0	355.442	1.768	20	30		FDEDRO
C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1	ZINC000584748770	551541796	/nfs/dbraw/zinc/54/17/96/551541796.db2.gz	NOMWCBZAZZACFL-CHWSQXEVSA-N	1	0	356.405	2.439	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(C#N)cc2F)[C@@H](C)C1	ZINC000586861853	551627096	/nfs/dbraw/zinc/62/70/96/551627096.db2.gz	ARCSMQLYESGMNZ-GUYCJALGSA-N	1	0	360.433	1.502	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c(F)c1	ZINC000586864174	551627463	/nfs/dbraw/zinc/62/74/63/551627463.db2.gz	MXYINXFOUJIPAV-MRXNPFEDSA-N	1	0	358.417	1.400	20	30		FDEDRO
C[C@@H](CNC(=O)C(=O)NCc1ccc(C#N)cc1F)[N@@H+]1CCC[C@@H](C)C1	ZINC000586863520	551627637	/nfs/dbraw/zinc/62/76/37/551627637.db2.gz	PZOVUVHIPKAMLX-KGLIPLIRSA-N	1	0	360.433	1.550	20	30		FDEDRO
C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCc1ccc(C#N)cc1F	ZINC000586864570	551627932	/nfs/dbraw/zinc/62/79/32/551627932.db2.gz	YTTDQYBCYGQYIQ-INIZCTEOSA-N	1	0	360.433	1.550	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)c1cccc(C#N)c1	ZINC000587719487	551634530	/nfs/dbraw/zinc/63/45/30/551634530.db2.gz	RJEAHECRMBYBCJ-QAPCUYQASA-N	1	0	372.469	1.305	20	30		FDEDRO
Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)NCCCCC#N)CC1	ZINC000588052788	551643846	/nfs/dbraw/zinc/64/38/46/551643846.db2.gz	SLLCMYMMZUZIEP-UHFFFAOYSA-N	1	0	356.470	1.839	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1	ZINC000588224553	551659990	/nfs/dbraw/zinc/65/99/90/551659990.db2.gz	LDRLJFQZLNVVPO-CRAIPNDOSA-N	1	0	354.454	1.672	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCC[N@@H+](CC)C(C)C)cc1	ZINC000588226488	551660483	/nfs/dbraw/zinc/66/04/83/551660483.db2.gz	ULBAUHPDRXOQLN-UHFFFAOYSA-N	1	0	353.488	1.611	20	30		FDEDRO
COc1cc(C[NH2+]Cc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)ccc1C#N	ZINC000589324927	551724899	/nfs/dbraw/zinc/72/48/99/551724899.db2.gz	FWFHICONTKYAHG-SFHVURJKSA-N	1	0	374.466	1.587	20	30		FDEDRO
Cn1ccnc1CN1CCC[C@H](NC(=O)Nc2ccc(C#N)c(F)c2)C1=O	ZINC000589350178	551725810	/nfs/dbraw/zinc/72/58/10/551725810.db2.gz	VUHPYHPRYNQKBJ-HNNXBMFYSA-N	1	0	370.388	1.744	20	30		FDEDRO
N#Cc1cccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)n1	ZINC000589460958	551732003	/nfs/dbraw/zinc/73/20/03/551732003.db2.gz	IKFORTADCKQDKJ-GOSISDBHSA-N	1	0	350.422	1.974	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)NC[C@@H]3CCC[N@@H+](C)C3)CC2)c1C#N	ZINC000589614876	551738514	/nfs/dbraw/zinc/73/85/14/551738514.db2.gz	WBDRRVWVXRDCKP-AWEZNQCLSA-N	1	0	362.503	1.497	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1	ZINC000590153115	551762455	/nfs/dbraw/zinc/76/24/55/551762455.db2.gz	SWWUHWQDVZRUFT-UHFFFAOYSA-N	1	0	351.410	1.805	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOC[C@H]1[C@@H]1CCC[N@H+]1C	ZINC000590403067	551780772	/nfs/dbraw/zinc/78/07/72/551780772.db2.gz	WOOKNTVJGRTNHR-ROUUACIJSA-N	1	0	372.469	1.530	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)[C@H]2C1	ZINC000590500822	551787849	/nfs/dbraw/zinc/78/78/49/551787849.db2.gz	MFKSWZCXRKKOJU-SLFFLAALSA-N	1	0	368.481	1.849	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](N3CCOCC3)C2)cc1	ZINC000590610812	551798813	/nfs/dbraw/zinc/79/88/13/551798813.db2.gz	CMRRNDUMZVJQCK-RBUKOAKNSA-N	1	0	359.470	1.289	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)NC[C@H]2CCCC[N@H+]2CCO)cc1	ZINC000590768051	551814833	/nfs/dbraw/zinc/81/48/33/551814833.db2.gz	VFVJDWCMPTWFGW-RTBURBONSA-N	1	0	356.470	1.490	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)cc1Cl	ZINC000590941163	551828592	/nfs/dbraw/zinc/82/85/92/551828592.db2.gz	MJNJBJCMWJCLNM-HNNXBMFYSA-N	1	0	350.850	1.858	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)CC(C)C)cc1	ZINC000591282516	551855804	/nfs/dbraw/zinc/85/58/04/551855804.db2.gz	HQHCWVNSZYKNBW-UHFFFAOYSA-N	1	0	367.515	1.811	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000591282551	551855840	/nfs/dbraw/zinc/85/58/40/551855840.db2.gz	BUYVBRYYXIUNNM-IRXDYDNUSA-N	1	0	369.469	1.979	20	30		FDEDRO
N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCC[NH2+]C3CC3)cn2)cc1	ZINC000591294651	551857380	/nfs/dbraw/zinc/85/73/80/551857380.db2.gz	BIGZMSCUTBSOFI-UHFFFAOYSA-N	1	0	365.393	1.552	20	30		FDEDRO
CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC[C@@H]1[NH3+]	ZINC000591303919	551859139	/nfs/dbraw/zinc/85/91/39/551859139.db2.gz	GNJXHQPEHGLODX-PBHICJAKSA-N	1	0	358.442	1.893	20	30		FDEDRO
N#Cc1ccc(CNC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)cc1Cl	ZINC000591310869	551860597	/nfs/dbraw/zinc/86/05/97/551860597.db2.gz	DWIARWBWEFRKMD-UHFFFAOYSA-N	1	0	371.832	1.733	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc1Cl	ZINC000591358074	551865588	/nfs/dbraw/zinc/86/55/88/551865588.db2.gz	KFHDRCSKTUABEG-AWEZNQCLSA-N	1	0	363.849	1.208	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@H]4CC[NH2+][C@H]4C3)C2=O)cc1	ZINC000591357128	551865690	/nfs/dbraw/zinc/86/56/90/551865690.db2.gz	NPTIFYYZEVMFOV-SQNIBIBYSA-N	1	0	367.453	1.053	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC[NH2+]1	ZINC000591361113	551866231	/nfs/dbraw/zinc/86/62/31/551866231.db2.gz	DBDUZOSXOUMENP-GXTWGEPZSA-N	1	0	358.446	1.396	20	30		FDEDRO
CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000591471878	551873748	/nfs/dbraw/zinc/87/37/48/551873748.db2.gz	WJHJZQMMCPTIHW-ROUUACIJSA-N	1	0	369.469	1.395	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1	ZINC000591576902	551880681	/nfs/dbraw/zinc/88/06/81/551880681.db2.gz	MCHYHWPNZBPPGD-QZTJIDSGSA-N	1	0	354.454	1.659	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1	ZINC000591574904	551880798	/nfs/dbraw/zinc/88/07/98/551880798.db2.gz	PTWNTVINPMAZFS-ROUUACIJSA-N	1	0	354.454	1.507	20	30		FDEDRO
N#CC1(NC(=O)C[C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)CCOCC1	ZINC000591706618	551900449	/nfs/dbraw/zinc/90/04/49/551900449.db2.gz	PLTOYGAJDAQVTA-FQEVSTJZSA-N	1	0	357.454	1.593	20	30		FDEDRO
Cc1cc(C)n(-c2ccc(CC[NH2+]C[C@@H](O)CN(C)CCC#N)cc2)n1	ZINC000591728023	551903988	/nfs/dbraw/zinc/90/39/88/551903988.db2.gz	CQHSHHXPNFGFDZ-HXUWFJFHSA-N	1	0	355.486	1.828	20	30		FDEDRO
N#Cc1cncnc1NCCCC[NH+]1CCN(Cc2ccccc2)CC1	ZINC000591901598	551915011	/nfs/dbraw/zinc/91/50/11/551915011.db2.gz	XAUPZCJFSCTAIU-UHFFFAOYSA-N	1	0	350.470	1.780	20	30		FDEDRO
CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@](O)(CC#N)C1)Cc1ccccc1	ZINC000591912604	551916156	/nfs/dbraw/zinc/91/61/56/551916156.db2.gz	QCYYCSHDEPKFJA-ICSRJNTNSA-N	1	0	358.486	2.000	20	30		FDEDRO
N#CC[C@]1(O)CCN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1	ZINC000591975194	551922924	/nfs/dbraw/zinc/92/29/24/551922924.db2.gz	RVQPCHZKBFDFBS-IBGZPJMESA-N	1	0	364.490	1.329	20	30		FDEDRO
COc1cc(CNC(=O)N2CCOC3(CC[NH+](C)CC3)C2)ccc1C#N	ZINC000592024237	551928251	/nfs/dbraw/zinc/92/82/51/551928251.db2.gz	GDQACASTSVNOSC-UHFFFAOYSA-N	1	0	358.442	1.573	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(C#N)n1	ZINC000592283162	551972085	/nfs/dbraw/zinc/97/20/85/551972085.db2.gz	FIJCMHPKWCASSO-UHFFFAOYSA-N	1	0	351.410	1.482	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)cc1Br	ZINC000592387302	551987444	/nfs/dbraw/zinc/98/74/44/551987444.db2.gz	IRBPBOPFFRLMCI-LLVKDONJSA-N	1	0	358.261	1.741	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1	ZINC000592390369	551988341	/nfs/dbraw/zinc/98/83/41/551988341.db2.gz	HLCYMTALTSDMIW-CVEARBPZSA-N	1	0	363.483	1.967	20	30		FDEDRO
C=CCn1c([C@@H]2CCO[C@@H]2C)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1	ZINC000592399536	551989310	/nfs/dbraw/zinc/98/93/10/551989310.db2.gz	VMGSFZWBNOKDTO-KZNAEPCWSA-N	1	0	374.533	1.573	20	30		FDEDRO
C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	ZINC000592428457	551994166	/nfs/dbraw/zinc/99/41/66/551994166.db2.gz	PCUSETWUKJRYQP-STQMWFEESA-N	1	0	367.409	1.926	20	30		FDEDRO
C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000592441964	551995928	/nfs/dbraw/zinc/99/59/28/551995928.db2.gz	BXSRNXXXLFNYII-KBPBESRZSA-N	1	0	358.442	1.170	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]CCNc3nccc(C(F)(F)F)n3)cnc12	ZINC000592505319	552002886	/nfs/dbraw/zinc/00/28/86/552002886.db2.gz	IDMGXUMKIXVFLG-UHFFFAOYSA-N	1	0	362.319	1.611	20	30		FDEDRO
COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)C1	ZINC000592528643	552005379	/nfs/dbraw/zinc/00/53/79/552005379.db2.gz	AGIGSSHDMUXZLA-HOTGVXAUSA-N	1	0	362.426	1.734	20	30		FDEDRO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(C)(C)c1cc(F)cc(C#N)c1	ZINC000592875384	552037726	/nfs/dbraw/zinc/03/77/26/552037726.db2.gz	XEOOKUAJWRIQGE-CYBMUJFWSA-N	1	0	360.433	1.553	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C	ZINC000592882400	552038718	/nfs/dbraw/zinc/03/87/18/552038718.db2.gz	XGLZLQJLMGGTLD-QAPCUYQASA-N	1	0	372.469	1.540	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOC2(CC[NH+](C)CC2)C1	ZINC000592900340	552040849	/nfs/dbraw/zinc/04/08/49/552040849.db2.gz	ZRXBVFMKBSLPKI-UHFFFAOYSA-N	1	0	372.469	1.532	20	30		FDEDRO
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2CCc3cncn3C2)CC1	ZINC000592947123	552047000	/nfs/dbraw/zinc/04/70/00/552047000.db2.gz	QZXSVADJJRHBGR-VQIMIIECSA-N	1	0	367.428	1.994	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NCCn3ccnc3)CC2)c1	ZINC000593003021	552052274	/nfs/dbraw/zinc/05/22/74/552052274.db2.gz	IWZYWWXAWUYWBF-UHFFFAOYSA-N	1	0	352.442	1.719	20	30		FDEDRO
COC(=O)C12CC(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)(C1)C2	ZINC000593347931	552093644	/nfs/dbraw/zinc/09/36/44/552093644.db2.gz	IXGUEUATJIIPLL-UHFFFAOYSA-N	1	0	367.449	1.982	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cn(CC4CC4)nn3)CC2)c1	ZINC000593349602	552093776	/nfs/dbraw/zinc/09/37/76/552093776.db2.gz	RQESOCMZKJIHNZ-UHFFFAOYSA-N	1	0	364.453	1.954	20	30		FDEDRO
Cn1nc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)ccc1=O	ZINC000593353147	552094825	/nfs/dbraw/zinc/09/48/25/552094825.db2.gz	OOJMHZRRULOLIU-UHFFFAOYSA-N	1	0	351.410	1.046	20	30		FDEDRO
COCC[C@H](COC)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593406183	552103803	/nfs/dbraw/zinc/10/38/03/552103803.db2.gz	DCTFYDLCBFOBPP-LJQANCHMSA-N	1	0	374.485	1.873	20	30		FDEDRO
Cc1cc(C)c2ncc(C#N)c(N3CCN(CC[NH+](C)C)C(=O)C3)c2c1	ZINC000593485840	552116255	/nfs/dbraw/zinc/11/62/55/552116255.db2.gz	DMJOSNAWWXDTIT-UHFFFAOYSA-N	1	0	351.454	1.934	20	30		FDEDRO
C[C@@H]1C(=O)N(C)CCN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593513596	552120277	/nfs/dbraw/zinc/12/02/77/552120277.db2.gz	LPUMDVYEYIOXPQ-OAHLLOKOSA-N	1	0	369.469	1.395	20	30		FDEDRO
CN(C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@H]1CCN(C)C1=O	ZINC000593511938	552120298	/nfs/dbraw/zinc/12/02/98/552120298.db2.gz	GZHXSAFRBFYLOI-SFHVURJKSA-N	1	0	369.469	1.395	20	30		FDEDRO
C[C@@H]1OCC[C@@]1(O)CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593514630	552120505	/nfs/dbraw/zinc/12/05/05/552120505.db2.gz	XMBKCGOWLHFGNX-MGPUTAFESA-N	1	0	372.469	1.362	20	30		FDEDRO
C[NH+](C)C1(CNS(=O)(=O)c2ccsc2C#N)Cc2ccccc2C1	ZINC000593551196	552131070	/nfs/dbraw/zinc/13/10/70/552131070.db2.gz	XDYDGIOKIFESKW-UHFFFAOYSA-N	1	0	361.492	1.997	20	30		FDEDRO
CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2ccsc2C#N)CC1	ZINC000593554118	552131988	/nfs/dbraw/zinc/13/19/88/552131988.db2.gz	YCOFTBXKIVCURO-CYBMUJFWSA-N	1	0	356.517	1.172	20	30		FDEDRO
COc1cc(CNC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)ccc1C#N	ZINC000593710082	552179545	/nfs/dbraw/zinc/17/95/45/552179545.db2.gz	FRSNBVCSPOYGMZ-JENIJYKNSA-N	1	0	372.469	1.995	20	30		FDEDRO
N#Cc1cccc(CS(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1	ZINC000593731810	552186022	/nfs/dbraw/zinc/18/60/22/552186022.db2.gz	FHKUKQHLXARYIA-KZNAEPCWSA-N	1	0	363.483	1.749	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1	ZINC000593767863	552194582	/nfs/dbraw/zinc/19/45/82/552194582.db2.gz	WCJOGGFSCPEEEG-LZLYRXPVSA-N	1	0	370.453	1.550	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+]	ZINC000593904928	552222441	/nfs/dbraw/zinc/22/24/41/552222441.db2.gz	HWASOQDBXHQMTM-HOCLYGCPSA-N	1	0	358.442	1.172	20	30		FDEDRO
CN1CCN(C(=O)C(=O)NCC(C)(C)CC#N)[C@@H](Cc2ccccc2)C1	ZINC000593930389	552228382	/nfs/dbraw/zinc/22/83/82/552228382.db2.gz	GPYQSCBIASUWNP-KRWDZBQOSA-N	1	0	356.470	1.428	20	30		FDEDRO
C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000594028021	552241386	/nfs/dbraw/zinc/24/13/86/552241386.db2.gz	YZOUOCUIQQCZSN-JCGIZDLHSA-N	1	0	360.433	1.212	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)ncc1C#N	ZINC000594285956	552278398	/nfs/dbraw/zinc/27/83/98/552278398.db2.gz	APHNIYOSOJIEDE-INIZCTEOSA-N	1	0	357.458	1.827	20	30		FDEDRO
C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1	ZINC000594369606	552296650	/nfs/dbraw/zinc/29/66/50/552296650.db2.gz	PBCNWRXABPKXIV-APWZRJJASA-N	1	0	368.481	1.550	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1	ZINC000594435165	552309161	/nfs/dbraw/zinc/30/91/61/552309161.db2.gz	AZFZZAXSVMVLAY-ZWKOTPCHSA-N	1	0	356.470	1.748	20	30		FDEDRO
CN1CCN([C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)c2cccs2)CC1	ZINC000594439395	552310174	/nfs/dbraw/zinc/31/01/74/552310174.db2.gz	QHGZWYGKEAORHH-HZPDHXFCSA-N	1	0	363.531	1.564	20	30		FDEDRO
CC(=O)N1CCN(Cc2cccc(NC(=O)[C@@H]([NH3+])CCCCC#N)c2)CC1	ZINC000594445412	552311496	/nfs/dbraw/zinc/31/14/96/552311496.db2.gz	KDNSWBRJBZYVBD-IBGZPJMESA-N	1	0	371.485	1.700	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O	ZINC000594445895	552312391	/nfs/dbraw/zinc/31/23/91/552312391.db2.gz	NBGXROWGDUEXFO-QZTJIDSGSA-N	1	0	356.470	1.748	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC1CC1	ZINC000594450248	552312746	/nfs/dbraw/zinc/31/27/46/552312746.db2.gz	VRGUUTRIDWEOFF-MSOLQXFVSA-N	1	0	354.454	1.630	20	30		FDEDRO
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2cc(Br)ccc2C#N)C1	ZINC000594474548	552319584	/nfs/dbraw/zinc/31/95/84/552319584.db2.gz	IAZMKMOBRDKOPD-GSJFWJNXSA-N	1	0	372.288	1.939	20	30		FDEDRO
N#Cc1ccccc1N1CCCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1	ZINC000594524878	552327527	/nfs/dbraw/zinc/32/75/27/552327527.db2.gz	MNYIQMYFXCFXBW-CQSZACIVSA-N	1	0	355.364	1.670	20	30		FDEDRO
N#CC1(CS(=O)(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CCC1	ZINC000594817542	552396608	/nfs/dbraw/zinc/39/66/08/552396608.db2.gz	SNHJRKRGOSOIPD-KRWDZBQOSA-N	1	0	363.483	1.366	20	30		FDEDRO
CO[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)[C@H]1CCOC1	ZINC000594950135	552425871	/nfs/dbraw/zinc/42/58/71/552425871.db2.gz	JAWGKYNJCQBUGH-WMZOPIPTSA-N	1	0	355.442	2.000	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)n(CCC#N)n1	ZINC000595071170	552444254	/nfs/dbraw/zinc/44/42/54/552444254.db2.gz	AECNSGKPDFQEIT-CQSZACIVSA-N	1	0	360.462	1.280	20	30		FDEDRO
CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CCC[C@@H](CC#N)C2)CC1	ZINC000595087016	552447858	/nfs/dbraw/zinc/44/78/58/552447858.db2.gz	TYJAIUSXKOVAJF-HNNXBMFYSA-N	1	0	372.473	1.631	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1C(F)(F)F	ZINC000595122545	552457995	/nfs/dbraw/zinc/45/79/95/552457995.db2.gz	MCKPIQGUCZLEST-VXGBXAGGSA-N	1	0	351.325	1.637	20	30		FDEDRO
CN(C(=O)C(=O)N1CC[C@](C)(C#N)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000595129436	552460653	/nfs/dbraw/zinc/46/06/53/552460653.db2.gz	MJLLQKBSNYKCTB-FXAWDEMLSA-N	1	0	354.454	1.481	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1	ZINC000595180239	552480307	/nfs/dbraw/zinc/48/03/07/552480307.db2.gz	YYKBTFSAALQSCI-DOTOQJQBSA-N	1	0	365.543	1.887	20	30		FDEDRO
Cc1ccc(NC(=O)C(=O)N2CC[C@](C)(C#N)C2)c(OCC[NH+](C)C)c1	ZINC000595208023	552490796	/nfs/dbraw/zinc/49/07/96/552490796.db2.gz	NXNAUHOEKYANOI-LJQANCHMSA-N	1	0	358.442	1.636	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC2([NH3+])CCCC2)cc1	ZINC000595232371	552499928	/nfs/dbraw/zinc/49/99/28/552499928.db2.gz	YXTSAKRQMCMWMO-LBPRGKRZSA-N	1	0	350.444	1.765	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1	ZINC000595236609	552501486	/nfs/dbraw/zinc/50/14/86/552501486.db2.gz	RGBMQXLDSZIYBX-QGZVFWFLSA-N	1	0	358.442	1.374	20	30		FDEDRO
CC(C)(NC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1)c1cccc(C#N)c1	ZINC000595236904	552501628	/nfs/dbraw/zinc/50/16/28/552501628.db2.gz	SMLKEOSEZXJNQL-UHFFFAOYSA-N	1	0	365.441	1.815	20	30		FDEDRO
N#Cc1ccc(CCNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1	ZINC000595272812	552509597	/nfs/dbraw/zinc/50/95/97/552509597.db2.gz	DZOOHWAQCMXTPA-OAHLLOKOSA-N	1	0	369.391	1.236	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1	ZINC000595281391	552511310	/nfs/dbraw/zinc/51/13/10/552511310.db2.gz	AGQWDRLBJOPLGS-JKSUJKDBSA-N	1	0	353.532	1.793	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c(F)c1	ZINC000595279625	552511322	/nfs/dbraw/zinc/51/13/22/552511322.db2.gz	PROMNWFPJCUQAP-QGZVFWFLSA-N	1	0	372.444	1.552	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1	ZINC000595281389	552511406	/nfs/dbraw/zinc/51/14/06/552511406.db2.gz	AGQWDRLBJOPLGS-HZPDHXFCSA-N	1	0	353.532	1.793	20	30		FDEDRO
COC(=O)c1ccc2[nH]c(C[N@H+](C)CCCc3[nH]nc(N)c3C#N)nc2c1	ZINC000595396122	552548534	/nfs/dbraw/zinc/54/85/34/552548534.db2.gz	OEVLWKYYLNWKMI-UHFFFAOYSA-N	1	0	367.413	1.591	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CCO1	ZINC000595403785	552551260	/nfs/dbraw/zinc/55/12/60/552551260.db2.gz	IFLPJWSIUVWLQH-ZDUSSCGKSA-N	1	0	373.425	1.568	20	30		FDEDRO
C[NH+](C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)CC1(C#N)CCCC1	ZINC000595404385	552551636	/nfs/dbraw/zinc/55/16/36/552551636.db2.gz	XMTRIHMKKKUTKE-INIZCTEOSA-N	1	0	369.531	1.975	20	30		FDEDRO
COc1ccc(CN2CCN(C(=O)CN3CCC[C@@H](CC#N)C3)CC2)cc1	ZINC000595621466	552593838	/nfs/dbraw/zinc/59/38/38/552593838.db2.gz	VEOYLBDEWQXOIB-SFHVURJKSA-N	1	0	370.497	1.965	20	30		FDEDRO
CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000595633278	552595654	/nfs/dbraw/zinc/59/56/54/552595654.db2.gz	OSLPOLFUMIHCTN-JFIYKMOQSA-N	1	0	366.483	1.488	20	30		FDEDRO
CN(C[C@@H]1COCCO1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000595653210	552597748	/nfs/dbraw/zinc/59/77/48/552597748.db2.gz	KNMREXQIJPLOGG-LJQANCHMSA-N	1	0	372.469	1.579	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000595661159	552598723	/nfs/dbraw/zinc/59/87/23/552598723.db2.gz	JAUIYPSXDBELSC-MRXNPFEDSA-N	1	0	356.474	1.658	20	30		FDEDRO
CO[C@@]1(CO)CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000595660825	552598863	/nfs/dbraw/zinc/59/88/63/552598863.db2.gz	FLOLKXYAIZNWPI-SFHVURJKSA-N	1	0	363.483	1.910	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N1CCN(c2cccc(C#N)n2)CC1	ZINC000595662615	552599184	/nfs/dbraw/zinc/59/91/84/552599184.db2.gz	HSWIECOURZSABG-INIZCTEOSA-N	1	0	356.474	1.658	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000595665782	552600081	/nfs/dbraw/zinc/60/00/81/552600081.db2.gz	XLXXVDXDJSTTNP-JKSUJKDBSA-N	1	0	357.458	1.989	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1	ZINC000595749170	552611018	/nfs/dbraw/zinc/61/10/18/552611018.db2.gz	MMUIHINIRZTAEQ-AEFFLSMTSA-N	1	0	358.486	1.636	20	30		FDEDRO
Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]CC(=O)NCc2cccc(C#N)c2)cn1	ZINC000595768711	552613139	/nfs/dbraw/zinc/61/31/39/552613139.db2.gz	GMMGMJSWLOGLSR-RBUKOAKNSA-N	1	0	351.454	1.909	20	30		FDEDRO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC[C@@H]3COC[C@H]3C2)CC1	ZINC000595833854	552621520	/nfs/dbraw/zinc/62/15/20/552621520.db2.gz	SHXUUHSIZKLILQ-BRWVUGGUSA-N	1	0	374.510	1.425	20	30		FDEDRO
CCOC(=O)CC1([NH2+]Cc2cccc(C(=O)OC)c2C#N)CCOCC1	ZINC000595879299	552627726	/nfs/dbraw/zinc/62/77/26/552627726.db2.gz	ZNNMDKMQNJFBTA-UHFFFAOYSA-N	1	0	360.410	1.937	20	30		FDEDRO
C[NH+](C)CCC[C@H]1CN(CCS(=O)(=O)c2ccc(C#N)cc2)CCO1	ZINC000595906343	552631843	/nfs/dbraw/zinc/63/18/43/552631843.db2.gz	JTTKBBVXNQORDW-KRWDZBQOSA-N	1	0	365.499	1.375	20	30		FDEDRO
CO[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C1CCCCC1	ZINC000596067164	552651913	/nfs/dbraw/zinc/65/19/13/552651913.db2.gz	UKWVMNIICDBUKY-INIZCTEOSA-N	1	0	351.472	1.912	20	30		FDEDRO
Cn1ncc(C#N)c1NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000596123013	552657547	/nfs/dbraw/zinc/65/75/47/552657547.db2.gz	RJTRHULEIJHFGZ-INIZCTEOSA-N	1	0	352.442	1.601	20	30		FDEDRO
C[C@@]1(NC(=O)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC[NH2+]C1	ZINC000596128668	552658406	/nfs/dbraw/zinc/65/84/06/552658406.db2.gz	IQWBIDKITGWXPX-LJQANCHMSA-N	1	0	365.393	1.552	20	30		FDEDRO
CCc1nc(C#N)cc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)n1	ZINC000596135752	552658998	/nfs/dbraw/zinc/65/89/98/552658998.db2.gz	LGTVRCGFARMIKV-AEFFLSMTSA-N	1	0	351.454	2.206	20	30		FDEDRO
C=CC[N@H+](C[C@H](O)Cn1cccn1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000596213397	552665691	/nfs/dbraw/zinc/66/56/91/552665691.db2.gz	KHYIQTVFMQFVQP-YJBOKZPZSA-N	1	0	353.430	1.469	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)ncc1C#N	ZINC000596568915	552690013	/nfs/dbraw/zinc/69/00/13/552690013.db2.gz	FUFMGFGXOXNEOE-OAHLLOKOSA-N	1	0	355.442	1.438	20	30		FDEDRO
C[C@H](CC#N)C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000597023087	552736044	/nfs/dbraw/zinc/73/60/44/552736044.db2.gz	ZSKMFVMGXRYJRG-MSOLQXFVSA-N	1	0	355.486	1.992	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000597170015	552757128	/nfs/dbraw/zinc/75/71/28/552757128.db2.gz	KGNVCHSEHVQDEZ-QGZVFWFLSA-N	1	0	361.511	1.803	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCO[C@H](C#N)C1	ZINC000597310373	552773328	/nfs/dbraw/zinc/77/33/28/552773328.db2.gz	OAKQVIZTBVREOZ-OAGGEKHMSA-N	1	0	358.446	1.119	20	30		FDEDRO
C[C@@H](CC#N)N(C)c1nnc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1C[C@@H]1CCCO1	ZINC000597338249	552777050	/nfs/dbraw/zinc/77/70/50/552777050.db2.gz	NXXQNYUHXVZDOH-YVSFHVDLSA-N	1	0	374.489	1.731	20	30		FDEDRO
C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NCC2(C#N)CCCCC2)C1	ZINC000597396074	552783830	/nfs/dbraw/zinc/78/38/30/552783830.db2.gz	FBJLKVKHLWHXPB-KRWDZBQOSA-N	1	0	360.502	1.767	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)CC1	ZINC000597399529	552784262	/nfs/dbraw/zinc/78/42/62/552784262.db2.gz	PPJHFJQKLCZDDG-INIZCTEOSA-N	1	0	362.380	1.215	20	30		FDEDRO
N#Cc1ccc(C[C@H](C#N)C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)cc1	ZINC000597618082	552812532	/nfs/dbraw/zinc/81/25/32/552812532.db2.gz	BXMFGSMYBTVDSY-UXHICEINSA-N	1	0	366.465	1.954	20	30		FDEDRO
C[C@H](CC#N)C(=O)N(C)CCN(CC[NH+]1CCCC1)C(=O)[C@@H](C)CC#N	ZINC000597648056	552817341	/nfs/dbraw/zinc/81/73/41/552817341.db2.gz	CYTHMECCIUITCB-SJORKVTESA-N	1	0	361.490	1.469	20	30		FDEDRO
N#Cc1ccc(CSCC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1	ZINC000598453632	552897625	/nfs/dbraw/zinc/89/76/25/552897625.db2.gz	SGKBJDRBUXUWHJ-SFHVURJKSA-N	1	0	359.495	1.849	20	30		FDEDRO
CC(C)(C#N)C[C@H](O)C[NH+]1CCN(Cc2ccc3c(c2)OCCO3)CC1	ZINC000598584951	552911674	/nfs/dbraw/zinc/91/16/74/552911674.db2.gz	KPVVLXKNNSBTMK-KRWDZBQOSA-N	1	0	359.470	1.876	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCc2c(cccc2NS(C)(=O)=O)C1	ZINC000598586747	552911829	/nfs/dbraw/zinc/91/18/29/552911829.db2.gz	XXTZZHPOHASSSR-CQSZACIVSA-N	1	0	351.472	1.717	20	30		FDEDRO
CN1CCN(C(=O)CC2CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC2)CC1	ZINC000598597100	552913239	/nfs/dbraw/zinc/91/32/39/552913239.db2.gz	VMGWUUZHQHRNGN-KRWDZBQOSA-N	1	0	350.507	1.163	20	30		FDEDRO
COc1cc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)ccc1OCC(=O)N(C)C	ZINC000598700162	552926658	/nfs/dbraw/zinc/92/66/58/552926658.db2.gz	LOJMTBGBBRTSAB-HNNXBMFYSA-N	1	0	363.458	1.553	20	30		FDEDRO
CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1	ZINC000598719064	552928073	/nfs/dbraw/zinc/92/80/73/552928073.db2.gz	FQTFGMPUIYHITD-QZTJIDSGSA-N	1	0	359.470	1.986	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)N2CCc3c(CC#N)cccc3C2)CC1	ZINC000599004581	552957145	/nfs/dbraw/zinc/95/71/45/552957145.db2.gz	SLWMAYXTEJDWLB-UHFFFAOYSA-N	1	0	356.470	1.931	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1C#N	ZINC000599103933	552968153	/nfs/dbraw/zinc/96/81/53/552968153.db2.gz	VLBGYLGVQGWGLR-WCQYABFASA-N	1	0	362.377	1.410	20	30		FDEDRO
C[N@@H+]1CCCC[C@H](CNC(=O)N2CCN(c3ncccc3C#N)CC2)C1	ZINC000599160809	552976979	/nfs/dbraw/zinc/97/69/79/552976979.db2.gz	OMFDWHXFHIAOTE-MRXNPFEDSA-N	1	0	356.474	1.517	20	30		FDEDRO
CCCCNC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000599276657	553012423	/nfs/dbraw/zinc/01/24/23/553012423.db2.gz	DEJOXNCUKKNCBS-SJORKVTESA-N	1	0	351.491	1.686	20	30		FDEDRO
CS[C@@H]1CN(C[C@H](O)CC2(C#N)CCOCC2)C[C@H]1[NH+]1CCCC1	ZINC000599371733	553038585	/nfs/dbraw/zinc/03/85/85/553038585.db2.gz	QDKQWRDAJYRQFN-BRWVUGGUSA-N	1	0	353.532	1.569	20	30		FDEDRO
CC(C)(C[C@H]1CCC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1)C(N)=O	ZINC000599432692	553055381	/nfs/dbraw/zinc/05/53/81/553055381.db2.gz	ZQAOVFWKCJGOSQ-HZPDHXFCSA-N	1	0	351.491	1.671	20	30		FDEDRO
C[C@H](c1ccccc1)[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)C(N)=O	ZINC000599430261	553055388	/nfs/dbraw/zinc/05/53/88/553055388.db2.gz	YAXJSAPIEZOUKZ-LSBZLQRGSA-N	1	0	353.422	1.545	20	30		FDEDRO
N#CC1(C[C@@H](O)C[N@@H+](Cc2cccc(C(N)=O)c2)C2CC2)CCOCC1	ZINC000599432673	553055470	/nfs/dbraw/zinc/05/54/70/553055470.db2.gz	ZCSHKNYGAKEEEI-GOSISDBHSA-N	1	0	357.454	1.821	20	30		FDEDRO
CC(C)(C)OC(=O)C1CCC(O)(C[NH+]2CCN(C(=O)CC#N)CC2)CC1	ZINC000599434171	553055879	/nfs/dbraw/zinc/05/58/79/553055879.db2.gz	SVMICOWGZJGARW-UHFFFAOYSA-N	1	0	365.474	1.307	20	30		FDEDRO
N#Cc1ccc(-c2nnc(CN3CCC([NH+]4CCOCC4)CC3)o2)cc1	ZINC000599474080	553068020	/nfs/dbraw/zinc/06/80/20/553068020.db2.gz	GTYURVRFHJBJCN-UHFFFAOYSA-N	1	0	353.426	1.905	20	30		FDEDRO
Cc1cc(=NC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)[nH]n1CCC#N	ZINC000599613946	553103669	/nfs/dbraw/zinc/10/36/69/553103669.db2.gz	RRBIZSNBEBLLBW-RYUDHWBXSA-N	1	0	358.368	2.096	20	30		FDEDRO
C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)c1ccc(C#N)cc1	ZINC000599868684	553163860	/nfs/dbraw/zinc/16/38/60/553163860.db2.gz	WQIOCLRKWAHSLD-ZDUSSCGKSA-N	1	0	364.405	1.856	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1	ZINC000599900010	553171090	/nfs/dbraw/zinc/17/10/90/553171090.db2.gz	PBMUBTMSGPXAJV-GXTWGEPZSA-N	1	0	368.359	1.791	20	30		FDEDRO
C[C@H]1CC[C@@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C[NH2+]1	ZINC000599938964	553178835	/nfs/dbraw/zinc/17/88/35/553178835.db2.gz	KJNZIOUFASLGAD-GXTWGEPZSA-N	1	0	358.446	1.396	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1	ZINC000599955531	553184831	/nfs/dbraw/zinc/18/48/31/553184831.db2.gz	JDQNYFBZXPGPGO-NWDGAFQWSA-N	1	0	367.437	1.398	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2	ZINC000599959125	553185904	/nfs/dbraw/zinc/18/59/04/553185904.db2.gz	OBDMTVBGLHKXMP-QGZVFWFLSA-N	1	0	352.438	1.474	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c(F)cc1C#N	ZINC000599971139	553189121	/nfs/dbraw/zinc/18/91/21/553189121.db2.gz	LMSVJRIKFPRVKK-CYBMUJFWSA-N	1	0	362.405	1.633	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(F)cc1C#N	ZINC000599971724	553189386	/nfs/dbraw/zinc/18/93/86/553189386.db2.gz	CHVFFFTYTMNBCL-WCQYABFASA-N	1	0	362.405	1.586	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c(F)cc1C#N	ZINC000599974816	553190238	/nfs/dbraw/zinc/19/02/38/553190238.db2.gz	KXIJGQSCFPJLKQ-SFHVURJKSA-N	1	0	360.389	1.199	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(F)cc1C#N	ZINC000599979867	553191869	/nfs/dbraw/zinc/19/18/69/553191869.db2.gz	XMDPYDCEKCRLPN-YHWZYXNKSA-N	1	0	360.389	1.386	20	30		FDEDRO
N#CCCn1cc(CN2CCO[C@H](CC(N)=O)C2)c(-c2ccccc2)n1	ZINC000600209075	553230830	/nfs/dbraw/zinc/23/08/30/553230830.db2.gz	SUYUZQSHBKSABG-QGZVFWFLSA-N	1	0	353.426	1.540	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]CCS(=O)(=O)c1ccccc1	ZINC000600720665	553306983	/nfs/dbraw/zinc/30/69/83/553306983.db2.gz	JBIWNYVOSCOAAL-MRXNPFEDSA-N	1	0	360.435	1.361	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]CCCNC(=O)c2cccc(F)c2)CCOCC1	ZINC000600728981	553308514	/nfs/dbraw/zinc/30/85/14/553308514.db2.gz	WCQZQDXLIFDIRP-QGZVFWFLSA-N	1	0	363.433	1.607	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H](CO)Cc1ccc(F)cc1	ZINC000600738308	553309255	/nfs/dbraw/zinc/30/92/55/553309255.db2.gz	JQCHBNHIGOMCIP-QFBILLFUSA-N	1	0	358.413	1.878	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]Cc1cccc(N2CCOCC2)c1	ZINC000600737520	553309409	/nfs/dbraw/zinc/30/94/09/553309409.db2.gz	DTAJGZAECFKVOZ-FQEVSTJZSA-N	1	0	367.449	1.924	20	30		FDEDRO
C[S@@](=O)Cc1ccc(C[NH2+]C[C@H](O)COc2ccccc2C#N)cc1	ZINC000600741546	553309499	/nfs/dbraw/zinc/30/94/99/553309499.db2.gz	PDMZPOLGRCRVIA-AVRWGWEMSA-N	1	0	358.463	1.966	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F	ZINC000600740841	553309537	/nfs/dbraw/zinc/30/95/37/553309537.db2.gz	KTQZFHNVXPEILS-GDBMZVCRSA-N	1	0	373.375	1.151	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)CCOCC1	ZINC000600738442	553309612	/nfs/dbraw/zinc/30/96/12/553309612.db2.gz	IPLNVUWFMJJWHG-HUUCEWRRSA-N	1	0	361.417	1.592	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]Cc2cccc(N3CCOCC3)c2)CCOCC1	ZINC000600738763	553309690	/nfs/dbraw/zinc/30/96/90/553309690.db2.gz	KOYMFZHORFZPLF-LJQANCHMSA-N	1	0	359.470	1.684	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H](n2cccn2)C(F)(F)F)c1	ZINC000600746818	553310610	/nfs/dbraw/zinc/31/06/10/553310610.db2.gz	MROVZLMEVMXMTQ-CQSZACIVSA-N	1	0	372.372	1.922	20	30		FDEDRO
C[NH+](C)CCn1cc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cn1	ZINC000600972782	553333523	/nfs/dbraw/zinc/33/35/23/553333523.db2.gz	FAZPLQDBJSBIMV-LJQANCHMSA-N	1	0	366.469	1.467	20	30		FDEDRO
CCc1nnc(NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)c(C#N)c1CC	ZINC000601175770	553356199	/nfs/dbraw/zinc/35/61/99/553356199.db2.gz	BSZAIDLCGLPZHY-QGZVFWFLSA-N	1	0	356.474	1.580	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNS(=O)(=O)c2ccccc2CC#N)CCCO1	ZINC000601404656	553396114	/nfs/dbraw/zinc/39/61/14/553396114.db2.gz	ZITZUCZMDNEZKR-HNNXBMFYSA-N	1	0	351.472	1.532	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1	ZINC000601426265	553402700	/nfs/dbraw/zinc/40/27/00/553402700.db2.gz	WCUVCAJPYAMAQN-UHFFFAOYSA-N	1	0	368.481	1.994	20	30		FDEDRO
CC1([NH+]2CCCC2)CCN(C(=O)C(=O)NCc2ccc(CC#N)cc2)CC1	ZINC000601522218	553427748	/nfs/dbraw/zinc/42/77/48/553427748.db2.gz	NTFPVTQRVYKIFZ-UHFFFAOYSA-N	1	0	368.481	1.846	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1	ZINC000601523934	553428457	/nfs/dbraw/zinc/42/84/57/553428457.db2.gz	QYWHQOCNOBVXHT-QGZVFWFLSA-N	1	0	350.488	1.639	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1	ZINC000601523822	553428512	/nfs/dbraw/zinc/42/85/12/553428512.db2.gz	YQVVYHNEEASSRP-AEFFLSMTSA-N	1	0	364.515	1.885	20	30		FDEDRO
Cc1cccc(C[N@H+]2CC[C@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C2)c1	ZINC000601525101	553428871	/nfs/dbraw/zinc/42/88/71/553428871.db2.gz	XIUNAAUQJXDLSD-RDJZCZTQSA-N	1	0	350.488	1.495	20	30		FDEDRO
N#CCCCN1C(=O)CCc2cc(NC(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)ccc21	ZINC000601560231	553435440	/nfs/dbraw/zinc/43/54/40/553435440.db2.gz	SKVBAQCLERPDTQ-HOTGVXAUSA-N	1	0	353.426	1.848	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1	ZINC000601574903	553438471	/nfs/dbraw/zinc/43/84/71/553438471.db2.gz	CRFPDNDEOJFIOA-CQSZACIVSA-N	1	0	359.474	1.948	20	30		FDEDRO
C[C@@H]1CN(CCN(C)C(=O)C(=O)Nc2cc(F)cc(C#N)c2)C[C@H](C)O1	ZINC000602045312	553507047	/nfs/dbraw/zinc/50/70/47/553507047.db2.gz	XPXZKWCOZGZXTH-BETUJISGSA-N	1	0	362.405	1.203	20	30		FDEDRO
CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)N=c2ccn(CCC#N)[nH]2)CC1	ZINC000602056602	553509976	/nfs/dbraw/zinc/50/99/76/553509976.db2.gz	ACVSBSWFMQYGKP-UHFFFAOYSA-N	1	0	372.473	1.602	20	30		FDEDRO
Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc(C#N)cn3)C2)cc1	ZINC000602073918	553513641	/nfs/dbraw/zinc/51/36/41/553513641.db2.gz	IEQMUCOFLWRRNF-QGZVFWFLSA-N	1	0	363.421	1.591	20	30		FDEDRO
N#CCN1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)CC1	ZINC000602105467	553519751	/nfs/dbraw/zinc/51/97/51/553519751.db2.gz	YASGEZAGEGAGIH-FPOVZHCZSA-N	1	0	368.481	1.193	20	30		FDEDRO
CN1CCCC[C@@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1=O	ZINC000602178048	553534367	/nfs/dbraw/zinc/53/43/67/553534367.db2.gz	UQEKLKFXRPBFDV-IBGZPJMESA-N	1	0	368.481	1.897	20	30		FDEDRO
CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCC1CCC(C#N)CC1	ZINC000602305023	553560482	/nfs/dbraw/zinc/56/04/82/553560482.db2.gz	FSTILJSDIZKBTJ-RJYAGPCLSA-N	1	0	364.490	1.231	20	30		FDEDRO
COc1cccc([C@H]([NH3+])C(=O)N2CCN(c3ccsc3C#N)CC2)c1	ZINC000602518167	553597089	/nfs/dbraw/zinc/59/70/89/553597089.db2.gz	LIUPLVLNAWFMAV-KRWDZBQOSA-N	1	0	356.451	1.977	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2	ZINC000602522348	553597848	/nfs/dbraw/zinc/59/78/48/553597848.db2.gz	VQONWYIEHZBWMA-HUUCEWRRSA-N	1	0	362.426	1.844	20	30		FDEDRO
N#Cc1cccc(C[NH2+]C[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)n1	ZINC000602575858	553607619	/nfs/dbraw/zinc/60/76/19/553607619.db2.gz	HIAZBZGPVMIYJA-PMACEKPBSA-N	1	0	361.449	1.642	20	30		FDEDRO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1(N2CCOCC2)CCOCC1	ZINC000602690329	553623023	/nfs/dbraw/zinc/62/30/23/553623023.db2.gz	JDYWZBIFCKHTLV-KRWDZBQOSA-N	1	0	351.491	1.556	20	30		FDEDRO
COc1ccc(CNC(=O)CC[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)c(OC)c1	ZINC000602848755	553650466	/nfs/dbraw/zinc/65/04/66/553650466.db2.gz	IGOGLNLBZSQAHP-HZPDHXFCSA-N	1	0	374.485	1.628	20	30		FDEDRO
C[C@@H](Cc1c(F)cccc1F)NC(=O)CN1C[C@@H](C)N(CC#N)[C@@H](C)C1	ZINC000602867632	553654954	/nfs/dbraw/zinc/65/49/54/553654954.db2.gz	ZFOSWVRAZXIPPL-SOUVJXGZSA-N	1	0	364.440	1.930	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](n3cc(C[C@H]4CC[NH2+]C4)nn3)C2=O)cc1	ZINC000603239534	553739875	/nfs/dbraw/zinc/73/98/75/553739875.db2.gz	RSGXLGVRJXBLHS-CRAIPNDOSA-N	1	0	350.426	1.670	20	30		FDEDRO
COCC[NH2+]CCc1cn(Cc2ccc(Br)cc2C#N)nn1	ZINC000603240727	553740361	/nfs/dbraw/zinc/74/03/61/553740361.db2.gz	DMOPHTYRCTUBQH-UHFFFAOYSA-N	1	0	364.247	1.739	20	30		FDEDRO
C[C@@H]1COCC[C@H]1S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000603273451	553750147	/nfs/dbraw/zinc/75/01/47/553750147.db2.gz	QDILDLAMKHVOGQ-CRAIPNDOSA-N	1	0	365.499	1.677	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1O2	ZINC000603276125	553751297	/nfs/dbraw/zinc/75/12/97/553751297.db2.gz	IGWSAJRVBRCTLI-RCCFBDPRSA-N	1	0	363.483	1.572	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C2CC[NH+](C)CC2)cc1	ZINC000603315798	553762915	/nfs/dbraw/zinc/76/29/15/553762915.db2.gz	BIQGWYNFLSJFPA-CQSZACIVSA-N	1	0	365.499	1.611	20	30		FDEDRO
N#CC[C@@H]1CCCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1	ZINC000603436581	553788612	/nfs/dbraw/zinc/78/86/12/553788612.db2.gz	NCVYXTBXVNVNLA-ZWKOTPCHSA-N	1	0	363.506	1.118	20	30		FDEDRO
N#Cc1ccccc1N1CCC[N@@H+](C[C@H](O)COC[C@H]2CCCO2)CC1	ZINC000603662629	553808765	/nfs/dbraw/zinc/80/87/65/553808765.db2.gz	UTZLRCBTUVFLQK-RBUKOAKNSA-N	1	0	359.470	1.627	20	30		FDEDRO
C[NH+](C)CCOc1cccc(NC(=O)NCCCc2[nH]nc(N)c2C#N)c1	ZINC000603696373	553810464	/nfs/dbraw/zinc/81/04/64/553810464.db2.gz	CIVDSFOENGQCQA-UHFFFAOYSA-N	1	0	371.445	1.558	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)CC1	ZINC000604308644	553861543	/nfs/dbraw/zinc/86/15/43/553861543.db2.gz	WFLVEOFFICFBSX-ZDUSSCGKSA-N	1	0	362.380	1.422	20	30		FDEDRO
CC[NH+](CC)C[C@H](C)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C	ZINC000604460755	553879156	/nfs/dbraw/zinc/87/91/56/553879156.db2.gz	DAMXXGNCJGPYEN-ZDUSSCGKSA-N	1	0	356.474	1.997	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000604543304	553886720	/nfs/dbraw/zinc/88/67/20/553886720.db2.gz	BZOBUHSFTIYORG-MRXNPFEDSA-N	1	0	357.458	1.947	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1	ZINC000608426196	554268334	/nfs/dbraw/zinc/26/83/34/554268334.db2.gz	VZULAHWWEOEZGD-PBHICJAKSA-N	1	0	374.489	1.254	20	30		FDEDRO
CC(C)[NH2+][C@@H]1CCCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1	ZINC000609135880	554341275	/nfs/dbraw/zinc/34/12/75/554341275.db2.gz	YNZOYCBXTITXSS-QGZVFWFLSA-N	1	0	363.483	1.462	20	30		FDEDRO
C[C@@H](CNC(=O)NC1CCN(CC#N)CC1)[N@@H+]1CCc2ccccc2C1	ZINC000609337736	554368669	/nfs/dbraw/zinc/36/86/69/554368669.db2.gz	FXNJBGQORVRFNY-INIZCTEOSA-N	1	0	355.486	1.720	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1	ZINC000609405273	554374863	/nfs/dbraw/zinc/37/48/63/554374863.db2.gz	ULOMWKLJLUVJMV-OAHLLOKOSA-N	1	0	356.426	1.496	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)cc1	ZINC000609553510	554392583	/nfs/dbraw/zinc/39/25/83/554392583.db2.gz	VUDSBFGCFYEDEP-OALUTQOASA-N	1	0	371.481	1.827	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)cc1	ZINC000609552774	554392622	/nfs/dbraw/zinc/39/26/22/554392622.db2.gz	CNMSYLUCNJYUMW-MSOLQXFVSA-N	1	0	357.454	1.632	20	30		FDEDRO
C[C@H](CNC(=O)c1cc2ccccc2n1CC#N)C[NH+]1CCN(C)CC1	ZINC000609624115	554404038	/nfs/dbraw/zinc/40/40/38/554404038.db2.gz	ZQFMQTRONILBEK-MRXNPFEDSA-N	1	0	353.470	1.778	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1	ZINC000609926683	554438390	/nfs/dbraw/zinc/43/83/90/554438390.db2.gz	RWUCDIUVMAKKCI-BMFZPTHFSA-N	1	0	358.360	1.880	20	30		FDEDRO
N#CCn1c(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc2ccccc21	ZINC000610242443	554477164	/nfs/dbraw/zinc/47/71/64/554477164.db2.gz	OMUUILZYLWYKLR-INIZCTEOSA-N	1	0	352.438	1.959	20	30		FDEDRO
N#Cc1cnc2c(F)ccc(F)c2c1N1CCN(CC(=O)NC2CC2)CC1	ZINC000610245306	554477777	/nfs/dbraw/zinc/47/77/77/554477777.db2.gz	WUQPSUBEQGSJGX-UHFFFAOYSA-N	1	0	371.391	1.785	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000610424004	554503616	/nfs/dbraw/zinc/50/36/16/554503616.db2.gz	PNGHFHBQYNJXOM-OKILXGFUSA-N	1	0	357.458	1.945	20	30		FDEDRO
Cn1cc(C[C@@H]2CC[N@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)cn1	ZINC000610476570	554515654	/nfs/dbraw/zinc/51/56/54/554515654.db2.gz	ALNHFUWTHMZUJV-HKUYNNGSSA-N	1	0	354.454	1.790	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(C[C@H](O)COc3ccc(CC#N)cc3)CC2)C1	ZINC000610988664	554591422	/nfs/dbraw/zinc/59/14/22/554591422.db2.gz	JSYIIZKITCDZOP-UXHICEINSA-N	1	0	372.513	1.204	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCN(CC(F)F)CC2)cc1	ZINC000611349399	554627518	/nfs/dbraw/zinc/62/75/18/554627518.db2.gz	IPEKKFGVNYMQBM-INIZCTEOSA-N	1	0	353.413	1.765	20	30		FDEDRO
C[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C[C@@H](O)C1CC1	ZINC000611430259	554632845	/nfs/dbraw/zinc/63/28/45/554632845.db2.gz	VDFFGPXGWQXYTK-JKSUJKDBSA-N	1	0	362.499	1.160	20	30		FDEDRO
COC1CC[NH+](CCNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1	ZINC000611558311	554646443	/nfs/dbraw/zinc/64/64/43/554646443.db2.gz	DBOYVBSHTKVYSW-SFHVURJKSA-N	1	0	353.463	1.475	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@H]1CC[N@@H+](CCC)C1	ZINC000612550664	554804821	/nfs/dbraw/zinc/80/48/21/554804821.db2.gz	JWLWXFMSRXQTPL-KRWDZBQOSA-N	1	0	359.470	1.810	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1	ZINC000612591209	554811258	/nfs/dbraw/zinc/81/12/58/554811258.db2.gz	HYIUAOAKTBZTBA-NJAFHUGGSA-N	1	0	363.502	1.607	20	30		FDEDRO
C[NH+](C)CCn1cc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cn1	ZINC000612834743	554847939	/nfs/dbraw/zinc/84/79/39/554847939.db2.gz	VBUGJJNTJJAKQI-UHFFFAOYSA-N	1	0	368.445	1.065	20	30		FDEDRO
CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)COc3ccccc3C#N)CC2)CC1	ZINC000613078455	554879660	/nfs/dbraw/zinc/87/96/60/554879660.db2.gz	PBMAVPBRPDAOJP-HDICACEKSA-N	1	0	356.470	1.612	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NC1CCN(CC#N)CC1	ZINC000613212779	554899865	/nfs/dbraw/zinc/89/98/65/554899865.db2.gz	OPLXPVVCTQGPRY-VQIMIIECSA-N	1	0	355.486	1.794	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC1CCN(CC#N)CC1	ZINC000613212773	554900032	/nfs/dbraw/zinc/90/00/32/554900032.db2.gz	OPLXPVVCTQGPRY-APWZRJJASA-N	1	0	355.486	1.794	20	30		FDEDRO
CC[NH+]1CCN(c2cccc(NC(=O)NC3CCN(CC#N)CC3)c2)CC1	ZINC000613783946	554973724	/nfs/dbraw/zinc/97/37/24/554973724.db2.gz	DSHZXZWXDLHEAA-UHFFFAOYSA-N	1	0	370.501	1.938	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2C1=O	ZINC000614124973	555013354	/nfs/dbraw/zinc/01/33/54/555013354.db2.gz	GNUADXFPHWDSHH-GJZGRUSLSA-N	1	0	353.422	1.825	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[N@H+](CCO)C(C)(C)C1	ZINC000614894603	555133962	/nfs/dbraw/zinc/13/39/62/555133962.db2.gz	GTPPRKJPUNVFMY-UHFFFAOYSA-N	1	0	360.458	1.123	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCCN(C(=O)C3CC3)CC2)cc1	ZINC000614914049	555136085	/nfs/dbraw/zinc/13/60/85/555136085.db2.gz	QGMKAPXMTVTEJS-GOSISDBHSA-N	1	0	357.454	1.437	20	30		FDEDRO
CC[C@]1([NH2+]CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCOC1	ZINC000616866122	555350925	/nfs/dbraw/zinc/35/09/25/555350925.db2.gz	OSDLKIUUASTMTB-QUCCMNQESA-N	1	0	374.460	1.693	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2nc(C#N)c3ccccc32)C1	ZINC000617431430	555438766	/nfs/dbraw/zinc/43/87/66/555438766.db2.gz	CGRFLMNLVBNORB-OAHLLOKOSA-N	1	0	355.442	1.381	20	30		FDEDRO
C=CCN(C(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1)[C@H](C)COC	ZINC000617578107	555469614	/nfs/dbraw/zinc/46/96/14/555469614.db2.gz	CJXSEQGEFYIOPB-ZACQAIPSSA-N	1	0	351.491	1.369	20	30		FDEDRO
COC1(CO)CC[NH+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1	ZINC000618551258	555648338	/nfs/dbraw/zinc/64/83/38/555648338.db2.gz	RPRZUHBCHRTGQS-PQUAAJSLSA-N	1	0	351.491	1.779	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(Oc3cnccn3)CC2)cc1	ZINC000618765898	555675349	/nfs/dbraw/zinc/67/53/49/555675349.db2.gz	VHAJUKSSKRIILL-KRWDZBQOSA-N	1	0	368.437	1.826	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H]([NH2+]C[C@@H]3CNc4ccnn4C3)C2=O)cc1	ZINC000619264808	555747789	/nfs/dbraw/zinc/74/77/89/555747789.db2.gz	MHVSIAYWWZKNCQ-SJORKVTESA-N	1	0	350.426	1.187	20	30		FDEDRO
N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1	ZINC000619363713	555768732	/nfs/dbraw/zinc/76/87/32/555768732.db2.gz	DOIJNTKERQRXRY-PMACEKPBSA-N	1	0	366.465	1.954	20	30		FDEDRO
CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2cccc(CC#N)c2)CC1	ZINC000619486972	555786408	/nfs/dbraw/zinc/78/64/08/555786408.db2.gz	NRPKVIOITVAJSY-MRXNPFEDSA-N	1	0	364.515	1.305	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2cccc(CC#N)c2)C1	ZINC000619488463	555787063	/nfs/dbraw/zinc/78/70/63/555787063.db2.gz	DPHVTPNEYUNTKJ-QGZVFWFLSA-N	1	0	365.499	1.874	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C[C@@]2(CCCOC2)O1	ZINC000619517033	555793491	/nfs/dbraw/zinc/79/34/91/555793491.db2.gz	BMNJRNQVBMMLKL-YVWKXTFCSA-N	1	0	360.454	1.762	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[NH2+][C@H](C(C)C)C2)cc1	ZINC000621147977	556037136	/nfs/dbraw/zinc/03/71/36/556037136.db2.gz	DISNVRPVKDGBJV-INIZCTEOSA-N	1	0	351.472	1.221	20	30		FDEDRO
C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CCC(C[NH+]2CCOCC2)CC1	ZINC000624987817	556686012	/nfs/dbraw/zinc/68/60/12/556686012.db2.gz	ZTODIEVATVPKFE-UHFFFAOYSA-N	1	0	371.489	1.793	20	30		FDEDRO
C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000624990554	556686263	/nfs/dbraw/zinc/68/62/63/556686263.db2.gz	FPQKNJXWEAUYQT-OAHLLOKOSA-N	1	0	357.462	1.403	20	30		FDEDRO
CC(C)[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)C[C@@H]1CCC(=O)N1	ZINC000625472230	556817593	/nfs/dbraw/zinc/81/75/93/556817593.db2.gz	OTGRQSNKBDWLKF-HNNXBMFYSA-N	1	0	353.422	1.275	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000625561692	556854080	/nfs/dbraw/zinc/85/40/80/556854080.db2.gz	DFNXYKGXISVSHP-IAGOWNOFSA-N	1	0	364.534	1.189	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1	ZINC000625746422	556917140	/nfs/dbraw/zinc/91/71/40/556917140.db2.gz	JURMKBOYUMIAMC-UHFFFAOYSA-N	1	0	351.491	1.418	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+]C[C@H]2COCCN2C)c(OC)c1	ZINC000629599603	557816237	/nfs/dbraw/zinc/81/62/37/557816237.db2.gz	JVYRCUYKPWPVAC-DLBZAZTESA-N	1	0	350.459	1.084	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCc3nnn(C4CC(C)C4)c3C2)CC1	ZINC000633041338	558247944	/nfs/dbraw/zinc/24/79/44/558247944.db2.gz	MTNNVDKYJUTHLS-UHFFFAOYSA-N	1	0	358.490	1.967	20	30		FDEDRO
C=CCn1c(COCCOC)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C	ZINC000634339397	558452149	/nfs/dbraw/zinc/45/21/49/558452149.db2.gz	FUYOLCXYVLBRKH-CVEARBPZSA-N	1	0	351.495	1.794	20	30		FDEDRO
C=CCn1c(COCCOC)nnc1N1CCC(C[NH+]2CCCC2)CC1	ZINC000634340169	558452544	/nfs/dbraw/zinc/45/25/44/558452544.db2.gz	DLQFHXYFLFOMTA-UHFFFAOYSA-N	1	0	363.506	1.939	20	30		FDEDRO
C=CCn1c([C@@H]2CN(C)C[C@@H](C)O2)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1	ZINC000634340536	558452985	/nfs/dbraw/zinc/45/29/85/558452985.db2.gz	RGUGWKRGGMNCHG-ZACQAIPSSA-N	1	0	362.522	1.632	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](OCc3ccncc3)C2)cc1	ZINC000281125606	567876805	/nfs/dbraw/zinc/87/68/05/567876805.db2.gz	XWRFPJIHDAATGX-UYAOXDASSA-N	1	0	353.422	1.984	20	30		FDEDRO
CC[NH+](CC)C[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000482182168	568302552	/nfs/dbraw/zinc/30/25/52/568302552.db2.gz	PPKXBNLDBKOHTE-KBPBESRZSA-N	1	0	366.487	1.072	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1	ZINC000669192305	568429350	/nfs/dbraw/zinc/42/93/50/568429350.db2.gz	HSWNJOAJCBKTCF-UHFFFAOYSA-N	1	0	365.518	1.858	20	30		FDEDRO
C(=[NH+]NCc1ccc(-c2nn[nH]n2)cc1)c1ccccc1N1CCOCC1	ZINC000819718809	607252958	/nfs/dbraw/zinc/25/29/58/607252958.db2.gz	QZAJNMQHWLYNPQ-UHFFFAOYSA-N	1	0	363.425	1.827	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@@H](C)Oc1ccccc1-c1nn[nH]n1	ZINC000821181057	607322651	/nfs/dbraw/zinc/32/26/51/607322651.db2.gz	JGPGBIUSRWEIQC-HUUCEWRRSA-N	1	0	371.441	1.911	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC000825866520	607699312	/nfs/dbraw/zinc/69/93/12/607699312.db2.gz	ZPWOPQYFBSSXGS-UHFFFAOYSA-N	1	0	364.413	1.270	20	30		FDEDRO
N#Cc1cccc(C2([NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)CC2)c1	ZINC000826386742	607704912	/nfs/dbraw/zinc/70/49/12/607704912.db2.gz	RAQHFMXWJXZKEF-ZDUSSCGKSA-N	1	0	361.413	1.255	20	30		FDEDRO
C=CCCS(=O)(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1	ZINC000819739759	607003330	/nfs/dbraw/zinc/00/33/30/607003330.db2.gz	GISCWGJPFKUNCN-UHFFFAOYSA-N	1	0	364.475	1.136	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1	ZINC000825914808	608204608	/nfs/dbraw/zinc/20/46/08/608204608.db2.gz	OOCCZKKHHYAOLW-UHFFFAOYSA-N	1	0	353.430	1.593	20	30		FDEDRO
C#CCCCCC(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1	ZINC000823838376	608300624	/nfs/dbraw/zinc/30/06/24/608300624.db2.gz	OWHXHHQEEBIDFG-UHFFFAOYSA-N	1	0	354.458	1.951	20	30		FDEDRO
CC(C)C(N)=[NH+]OCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000274125902	674584878	/nfs/dbraw/zinc/58/48/78/674584878.db2.gz	VOVWQOAFUNVMRJ-UHFFFAOYSA-N	1	0	371.459	1.031	20	30		FDEDRO
C=CCc1cc(C[NH2+]CCNS(=O)(=O)NC(C)C)cc(OC)c1O	ZINC000277022724	674835843	/nfs/dbraw/zinc/83/58/43/674835843.db2.gz	MYJUDFCYGVGUGF-UHFFFAOYSA-N	1	0	357.476	1.051	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cc(Br)c(C)n(C)c2=O)CC1	ZINC000277568596	674969306	/nfs/dbraw/zinc/96/93/06/674969306.db2.gz	ZMSROOKPXUFGPE-UHFFFAOYSA-N	1	0	368.275	1.836	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=NOCc2nnnn2CC(F)(F)F)cc1	ZINC000278098838	675092891	/nfs/dbraw/zinc/09/28/91/675092891.db2.gz	LBXCKTNLLICRML-UHFFFAOYSA-N	1	0	357.340	1.134	20	30		FDEDRO
CC[NH+]=C(NCCC(F)(F)F)N1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000085076665	671480940	/nfs/dbraw/zinc/48/09/40/671480940.db2.gz	QLMJXVBBPUKLFV-GFCCVEGCSA-N	1	0	350.385	1.228	20	30		FDEDRO
C[NH+]=C(NCC1CCSCC1)N1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000086833428	671484432	/nfs/dbraw/zinc/48/44/32/671484432.db2.gz	YJYKBZBGFPQLGQ-OAHLLOKOSA-N	1	0	354.520	1.028	20	30		FDEDRO
COc1ccc(-n2cc(CNC(=[NH2+])NCCc3cccs3)nn2)cc1	ZINC000087001591	671484854	/nfs/dbraw/zinc/48/48/54/671484854.db2.gz	JJOVYYBRIUBFLE-UHFFFAOYSA-N	1	0	356.455	1.984	20	30		FDEDRO
COc1cc(OC)cc(N2CC[C@@H](CNC(=[NH2+])N3CCSCC3)C2)c1	ZINC000089121022	671491934	/nfs/dbraw/zinc/49/19/34/671491934.db2.gz	CDPIVHPDNQNVKZ-AWEZNQCLSA-N	1	0	364.515	1.894	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1	ZINC000287078713	675912255	/nfs/dbraw/zinc/91/22/55/675912255.db2.gz	IGGIIAPTOPKBGA-JSGCOSHPSA-N	1	0	350.444	1.588	20	30		FDEDRO
[NH2+]=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCCCC1	ZINC000104175596	671594988	/nfs/dbraw/zinc/59/49/88/671594988.db2.gz	KPZPCRXHKYILMO-UHFFFAOYSA-N	1	0	350.488	1.772	20	30		FDEDRO
CCOCCCNC(=[NH2+])NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1	ZINC000104178728	671595014	/nfs/dbraw/zinc/59/50/14/671595014.db2.gz	HKZYTNGXNJKGDD-UHFFFAOYSA-N	1	0	370.519	1.546	20	30		FDEDRO
C[NH+]=C(NCc1cccc(OC)n1)N1CCN([C@H](C)C(F)(F)F)CC1	ZINC000133378749	671820774	/nfs/dbraw/zinc/82/07/74/671820774.db2.gz	ZHSHRDLWIVFUCR-GFCCVEGCSA-N	1	0	359.396	1.734	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@]2(C)CC[NH2+]C2)c1	ZINC000152239067	671879303	/nfs/dbraw/zinc/87/93/03/671879303.db2.gz	NKXXOLCRLCMEAI-AWZALFRUSA-N	1	0	364.471	1.438	20	30		FDEDRO
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C[C@@H]2CCC[NH2+]2)c1	ZINC000152239865	671879367	/nfs/dbraw/zinc/87/93/67/671879367.db2.gz	SYNHTSKLOIRYRM-GJEKEPIOSA-N	1	0	364.471	1.580	20	30		FDEDRO
C[NH+]=C(NCc1ccc(Cl)cc1OC)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158638749	671981731	/nfs/dbraw/zinc/98/17/31/671981731.db2.gz	VVSUYSUQQWVAIW-UHFFFAOYSA-N	1	0	373.906	1.933	20	30		FDEDRO
CNC(=O)C(C)(C)CNC(N[C@H]1CCN(c2ncccc2Cl)C1)=[NH+]C	ZINC000158945616	671985356	/nfs/dbraw/zinc/98/53/56/671985356.db2.gz	XQNIPBJLUZTCDN-LBPRGKRZSA-N	1	0	366.897	1.251	20	30		FDEDRO
C[NH+]=C(NCCc1nnc2n1CCCCC2)NC[C@@]1(C)CCCS1	ZINC000159280727	671989981	/nfs/dbraw/zinc/98/99/81/671989981.db2.gz	KHZSNSDOMFZPQR-QGZVFWFLSA-N	1	0	350.536	1.998	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)ccc1F	ZINC000161086058	672007014	/nfs/dbraw/zinc/00/70/14/672007014.db2.gz	GENKCMTXVOLNSQ-QWHCGFSZSA-N	1	0	355.435	1.290	20	30		FDEDRO
CC(C)(C)OC(=O)NC[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)C1CC1	ZINC000185207074	672257480	/nfs/dbraw/zinc/25/74/80/672257480.db2.gz	NWVCLFDGUZSGHL-KDOFPFPSSA-N	1	0	350.463	1.688	20	30		FDEDRO
CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CCN(c2cccc(Cl)c2)C1	ZINC000185526499	672260975	/nfs/dbraw/zinc/26/09/75/672260975.db2.gz	JDCRCLWNLZGTGH-OAHLLOKOSA-N	1	0	365.909	1.951	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(C(N)=O)cs1	ZINC000195141571	672398465	/nfs/dbraw/zinc/39/84/65/672398465.db2.gz	IAZIFUJXHUDPSC-UHFFFAOYSA-N	1	0	356.451	1.923	20	30		FDEDRO
[NH2+]=C(NC[C@@H](c1cccc(F)c1)N1CCOCC1)NC[C@@H]1CCCO1	ZINC000195522768	672408090	/nfs/dbraw/zinc/40/80/90/672408090.db2.gz	NLFWILJOCBPRQQ-IRXDYDNUSA-N	1	0	350.438	1.282	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c1	ZINC000237924285	672430710	/nfs/dbraw/zinc/43/07/10/672430710.db2.gz	OVKKKSABBUZITB-GOEBONIOSA-N	1	0	351.472	1.398	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C[NH3+])C1CCCCC1	ZINC000237935983	672431010	/nfs/dbraw/zinc/43/10/10/672431010.db2.gz	NVZQHRTZCWRMJC-ZDUSSCGKSA-N	1	0	352.416	1.652	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CON=Cc2ccccc2F)C1	ZINC000255371862	672616590	/nfs/dbraw/zinc/61/65/90/672616590.db2.gz	ANROBFAUNLVELK-INIZCTEOSA-N	1	0	351.422	1.649	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000261652383	672643418	/nfs/dbraw/zinc/64/34/18/672643418.db2.gz	BEKYZMFXFWOEIG-NUEKZKHPSA-N	1	0	350.507	1.707	20	30		FDEDRO
CC[NH+]=C(NCCN1CCSCC1)N1CCN(c2cccs2)CC1	ZINC000261659099	672644991	/nfs/dbraw/zinc/64/49/91/672644991.db2.gz	AUJCYGFCERVULX-UHFFFAOYSA-N	1	0	367.588	1.884	20	30		FDEDRO
CCc1nsc(N2CCN(C(NC[C@]3(C)CCOC3)=[NH+]C)CC2)n1	ZINC000261676390	672648649	/nfs/dbraw/zinc/64/86/49/672648649.db2.gz	CQHYZOPXYUEXBF-INIZCTEOSA-N	1	0	352.508	1.225	20	30		FDEDRO
C[NH+]=C(NCc1nc(C)c(C)s1)N1CCN(C[C@H]2CCOC2)CC1	ZINC000261679800	672649482	/nfs/dbraw/zinc/64/94/82/672649482.db2.gz	HMEDRGYFUANKAM-OAHLLOKOSA-N	1	0	351.520	1.489	20	30		FDEDRO
CC[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N1C[C@H](C)C[C@@H](C)C1	ZINC000261724404	672658951	/nfs/dbraw/zinc/65/89/51/672658951.db2.gz	XIJFCUAFPUUTEB-HUUCEWRRSA-N	1	0	358.552	1.601	20	30		FDEDRO
C[NH+]=C(NC[C@]1(C)CCOC1)N[C@@H]1CCN(c2ncccc2Cl)C1	ZINC000261742361	672663063	/nfs/dbraw/zinc/66/30/63/672663063.db2.gz	KVSLGSWCVHEGGT-DYVFJYSZSA-N	1	0	351.882	1.905	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCCN1S(C)(=O)=O)Nc1ccc(OC)c(OC)c1	ZINC000261746637	672663985	/nfs/dbraw/zinc/66/39/85/672663985.db2.gz	LIKAXHQJTZCWRK-CYBMUJFWSA-N	1	0	370.475	1.115	20	30		FDEDRO
CC[NH+]=C(NCCc1nc(C)no1)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000261794415	672673427	/nfs/dbraw/zinc/67/34/27/672673427.db2.gz	GKYZZTDUJZVQAR-UHFFFAOYSA-N	1	0	350.467	1.217	20	30		FDEDRO
CN(C(=[NH2+])NCC(=O)Nc1ccc(I)cc1)C1CC1	ZINC000261916466	672693610	/nfs/dbraw/zinc/69/36/10/672693610.db2.gz	ZOJFZXRWJKEJIF-UHFFFAOYSA-N	1	0	372.210	1.639	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1C[C@](C)(OC)C1(C)C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261937419	672697308	/nfs/dbraw/zinc/69/73/08/672697308.db2.gz	CSRUJUMHTCWVQG-DYVFJYSZSA-N	1	0	359.536	1.665	20	30		FDEDRO
C[NH+]=C(NCc1cc(C)cc(OC)c1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261968368	672704356	/nfs/dbraw/zinc/70/43/56/672704356.db2.gz	MBVOKVIEFAEYTR-UHFFFAOYSA-N	1	0	353.488	1.588	20	30		FDEDRO
CC[NH+]=C(NCC1(O)CCC1)N[C@@H]1CCN(c2ncccc2Cl)C1	ZINC000261967920	672704504	/nfs/dbraw/zinc/70/45/04/672704504.db2.gz	LYLMYBLKPNEWDS-CYBMUJFWSA-N	1	0	351.882	1.784	20	30		FDEDRO
C[NH+]=C(NCCN1CCSCC1)N1CCN(c2cccs2)CC1	ZINC000261991843	672707906	/nfs/dbraw/zinc/70/79/06/672707906.db2.gz	RMFAVVCBFVYEAA-UHFFFAOYSA-N	1	0	353.561	1.494	20	30		FDEDRO
C[NH+]=C(NCCNC(=O)c1ccccc1Cl)N1CC[C@@]2(CCOC2)C1	ZINC000262007188	672710653	/nfs/dbraw/zinc/71/06/53/672710653.db2.gz	VWLXVNQGVUKYKM-GOSISDBHSA-N	1	0	364.877	1.758	20	30		FDEDRO
CC[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N(C)Cc1cccn1C	ZINC000262025113	672713916	/nfs/dbraw/zinc/71/39/16/672713916.db2.gz	ZNFJVHFMRXNMKW-UHFFFAOYSA-N	1	0	369.535	1.094	20	30		FDEDRO
CC[NH+]=C(NCC1(CO)CCOCC1)N1CCC[C@]2(CCCOC2)C1	ZINC000262047374	672718008	/nfs/dbraw/zinc/71/80/08/672718008.db2.gz	UPMOJMMKWUEMEQ-IBGZPJMESA-N	1	0	353.507	1.634	20	30		FDEDRO
C[NH+]=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCCC1	ZINC000262080054	672722256	/nfs/dbraw/zinc/72/22/56/672722256.db2.gz	DXYURDWTGDWXPQ-UHFFFAOYSA-N	1	0	364.515	1.759	20	30		FDEDRO
[NH2+]=C(NC[C@@H]1CCCCS1(=O)=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000262160955	672738348	/nfs/dbraw/zinc/73/83/48/672738348.db2.gz	BBQPWKVOQJUHAE-INIZCTEOSA-N	1	0	368.478	1.230	20	30		FDEDRO
CC(C)C[NH+]=C(NCC(=O)N(C)C)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000262244977	672753664	/nfs/dbraw/zinc/75/36/64/672753664.db2.gz	AUUMGWUKWRHBOG-UHFFFAOYSA-N	1	0	353.511	1.007	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NC2CCCCCC2)cc1S(N)(=O)=O	ZINC000262251735	672755305	/nfs/dbraw/zinc/75/53/05/672755305.db2.gz	DKTPWSIXDSVZQU-UHFFFAOYSA-N	1	0	354.476	1.470	20	30		FDEDRO
CN(C)C(=O)CNC(NCc1cccs1)=[NH+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C	ZINC000262338133	672772751	/nfs/dbraw/zinc/77/27/51/672772751.db2.gz	WOSAHAALWZYKPS-BMFZPTHFSA-N	1	0	364.515	1.685	20	30		FDEDRO
C[NH+]=C(NC[C@]1(O)CCSC1)N[C@H]1CCN(c2cccc(OC)c2)C1	ZINC000262352860	672775182	/nfs/dbraw/zinc/77/51/82/672775182.db2.gz	FKXYMSHWMUHTCM-KBXCAEBGSA-N	1	0	364.515	1.307	20	30		FDEDRO
[NH2+]=C(NC[C@H]1CCCS1(=O)=O)Nc1cccc(OC(F)(F)F)c1	ZINC000262361760	672776675	/nfs/dbraw/zinc/77/66/75/672776675.db2.gz	IYVDUPWLXQNWJO-LLVKDONJSA-N	1	0	351.350	1.889	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(=[NH+]C2CCOCC2)N2CC[C@H](C3CC3)C2)C1	ZINC000262442604	672790478	/nfs/dbraw/zinc/79/04/78/672790478.db2.gz	UUDMCZPLISIYHC-ZBFHGGJFSA-N	1	0	369.531	1.278	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C	ZINC000262450482	672791450	/nfs/dbraw/zinc/79/14/50/672791450.db2.gz	VUUHNJOXSLFGLO-CAOSSQGBSA-N	1	0	371.547	1.568	20	30		FDEDRO
CC(C)[NH+]=C(NCc1cc(F)ccc1F)NC[C@@H]1CCS(=O)(=O)C1	ZINC000262455614	672792629	/nfs/dbraw/zinc/79/26/29/672792629.db2.gz	WSWFIRMMWREMGN-LBPRGKRZSA-N	1	0	359.442	1.843	20	30		FDEDRO
CS(=O)(=O)CC1(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CC1	ZINC000262475536	672795481	/nfs/dbraw/zinc/79/54/81/672795481.db2.gz	PXHGTKLEDZJCFU-UHFFFAOYSA-N	1	0	353.444	1.399	20	30		FDEDRO
C[C@H]1CN(C(=[NH2+])NCC2(N3CCOC(C)(C)C3)CCCCC2)CCO1	ZINC000262506428	672800523	/nfs/dbraw/zinc/80/05/23/672800523.db2.gz	ZZODJCJZFFNJLO-INIZCTEOSA-N	1	0	352.523	1.836	20	30		FDEDRO
C[NH+]=C(NCCc1cccs1)N1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000262514849	672801585	/nfs/dbraw/zinc/80/15/85/672801585.db2.gz	CKMVQGDYNSKDDW-OAHLLOKOSA-N	1	0	350.488	1.189	20	30		FDEDRO
COc1cccc(NC(=[NH2+])NC[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1	ZINC000262645446	672824569	/nfs/dbraw/zinc/82/45/69/672824569.db2.gz	IZCVVGOUEUGJSF-SWLSCSKDSA-N	1	0	354.476	1.530	20	30		FDEDRO
C[NH+]=C(NC[C@@H](OC)c1ccc(Cl)cc1)N[C@H]1CCc2ncnn2C1	ZINC000262781658	672848827	/nfs/dbraw/zinc/84/88/27/672848827.db2.gz	LCIHMLOMAHSKKK-LSDHHAIUSA-N	1	0	362.865	1.799	20	30		FDEDRO
C[NH+]=C(NCc1cccc(O)c1)N1CCS(=O)(=O)C2(CCCCC2)C1	ZINC000262784883	672849438	/nfs/dbraw/zinc/84/94/38/672849438.db2.gz	MEMVYXJFHHTNOD-UHFFFAOYSA-N	1	0	365.499	1.901	20	30		FDEDRO
Cc1n[nH]cc1CCCNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000264088950	672901051	/nfs/dbraw/zinc/90/10/51/672901051.db2.gz	KNOSYHBYEXCTIN-UHFFFAOYSA-N	1	0	350.467	1.518	20	30		FDEDRO
CC[C@@H](C)NC(=[NH2+])NCc1ccccc1CS(=O)(=O)N1CCOCC1	ZINC000264108503	672901634	/nfs/dbraw/zinc/90/16/34/672901634.db2.gz	QBQQGXKBFKZOKK-CQSZACIVSA-N	1	0	368.503	1.051	20	30		FDEDRO
C=C(C)COc1cc(C[NH2+]CCOCCS(C)(=O)=O)ccc1OC	ZINC000266165067	673069303	/nfs/dbraw/zinc/06/93/03/673069303.db2.gz	PBHJMIZWXIIYAM-UHFFFAOYSA-N	1	0	357.472	1.801	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1cncc(C#N)c1	ZINC000289383909	676127540	/nfs/dbraw/zinc/12/75/40/676127540.db2.gz	CPXYFQGNVRCNBT-KSSFIOAISA-N	1	0	356.451	1.752	20	30		FDEDRO
CN(CC[C@H]1CCCC[N@@H+]1C)CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000290293896	676195367	/nfs/dbraw/zinc/19/53/67/676195367.db2.gz	NCFIOMWUERKFCG-MRXNPFEDSA-N	1	0	350.488	1.533	20	30		FDEDRO
CC[NH+](CC)C[C@@H]1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000290302833	676196156	/nfs/dbraw/zinc/19/61/56/676196156.db2.gz	NSPLKESHOPQXAF-INIZCTEOSA-N	1	0	350.488	1.391	20	30		FDEDRO
C=CCS(=O)(=O)CC[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1	ZINC000279213009	675259243	/nfs/dbraw/zinc/25/92/43/675259243.db2.gz	WHQJSCWINYNYFG-UHFFFAOYSA-N	1	0	366.483	1.978	20	30		FDEDRO
CCCC[N@H+](C)C[C@H](C)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000290766918	676230522	/nfs/dbraw/zinc/23/05/22/676230522.db2.gz	BMLIPCYWNBZCHR-HNNXBMFYSA-N	1	0	365.499	1.710	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000281870219	675571347	/nfs/dbraw/zinc/57/13/47/675571347.db2.gz	CNHSWHCQQWJLRK-BFYDXBDKSA-N	1	0	350.488	1.433	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000283369251	675655009	/nfs/dbraw/zinc/65/50/09/675655009.db2.gz	COBVXOMQQFUQKO-OAHLLOKOSA-N	1	0	350.488	1.577	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NCC2(S(C)(=O)=O)CCCC2)cc1OC	ZINC000284997808	675779265	/nfs/dbraw/zinc/77/92/65/675779265.db2.gz	HVCQZDXBNYYQQS-UHFFFAOYSA-N	1	0	355.460	1.788	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2CC[NH3+])cc1	ZINC000285917847	675853433	/nfs/dbraw/zinc/85/34/33/675853433.db2.gz	DTOODKBVLWSSSU-HNNXBMFYSA-N	1	0	351.472	1.494	20	30		FDEDRO
C=C[C@@H](CO)NC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000291192524	676248830	/nfs/dbraw/zinc/24/88/30/676248830.db2.gz	ICQQRIHDZQSFFD-HIFRSBDPSA-N	1	0	350.438	1.485	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(Br)c1	ZINC000293357529	676346978	/nfs/dbraw/zinc/34/69/78/676346978.db2.gz	LFJYNTZFDGCORB-UHFFFAOYSA-N	1	0	352.232	1.459	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000293420987	676350207	/nfs/dbraw/zinc/35/02/07/676350207.db2.gz	QALHMKVCMUYVRC-UHFFFAOYSA-N	1	0	358.467	1.702	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H](C)C[NH+](C)C)ccc1F	ZINC000293735573	676362909	/nfs/dbraw/zinc/36/29/09/676362909.db2.gz	KYWCJXQHKGASKU-GFCCVEGCSA-N	1	0	357.451	1.218	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC2CC[NH+](C3CC3)CC2)c1	ZINC000298185036	676438885	/nfs/dbraw/zinc/43/88/85/676438885.db2.gz	GVBKIFNOUPEUFJ-UHFFFAOYSA-N	1	0	363.483	1.508	20	30		FDEDRO
COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](C(C)C)N2CCOCC2)c1	ZINC000303776939	676542856	/nfs/dbraw/zinc/54/28/56/676542856.db2.gz	ICMYUPHRXHWYMX-INIZCTEOSA-N	1	0	350.463	1.787	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1ccc(Br)s1	ZINC000303868864	676543251	/nfs/dbraw/zinc/54/32/51/676543251.db2.gz	ANGXNQVHFWYJIS-UHFFFAOYSA-N	1	0	361.309	1.637	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCc2sc(C)nc2C)CC1	ZINC000304749335	676544377	/nfs/dbraw/zinc/54/43/77/676544377.db2.gz	HQRBCODQSHHLNL-UHFFFAOYSA-N	1	0	353.492	1.828	20	30		FDEDRO
CC(C)CCC[C@@H](C)NC(=[NH2+])NCCS(=O)(=O)N1CCSCC1	ZINC000304763164	676544560	/nfs/dbraw/zinc/54/45/60/676544560.db2.gz	WNKCXBGGJSORBS-CQSZACIVSA-N	1	0	364.581	1.484	20	30		FDEDRO
[NH2+]=C(NCCCO[C@H]1CCOC1)N1CCN(c2ccc(F)cc2)CC1	ZINC000304984776	676544687	/nfs/dbraw/zinc/54/46/87/676544687.db2.gz	AWGQATDHJZKRIA-KRWDZBQOSA-N	1	0	350.438	1.458	20	30		FDEDRO
COCc1ccccc1NC(=[NH2+])NC[C@]1(N2CCOCC2)CCSC1	ZINC000305078826	676544872	/nfs/dbraw/zinc/54/48/72/676544872.db2.gz	WJSMDGUPWYWXPQ-GOSISDBHSA-N	1	0	364.515	1.768	20	30		FDEDRO
NC(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)O1	ZINC000328672789	676601647	/nfs/dbraw/zinc/60/16/47/676601647.db2.gz	ONNAQZKPYRYLOB-KKUMJFAQSA-N	1	0	354.451	1.027	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O	ZINC000328710677	676603476	/nfs/dbraw/zinc/60/34/76/676603476.db2.gz	RDRJBHDTGBJAAD-GVDBMIGSSA-N	1	0	353.507	1.932	20	30		FDEDRO
O=C(NCC1([NH+]2CCSCC2)CCCCC1)N1C[C@@H]2COC[C@H](C1)O2	ZINC000328719343	676603958	/nfs/dbraw/zinc/60/39/58/676603958.db2.gz	VMBIWPAGIBQGOK-IYBDPMFKSA-N	1	0	369.531	1.752	20	30		FDEDRO
O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1C[C@@H]2COC[C@H](C1)O2	ZINC000328740043	676604713	/nfs/dbraw/zinc/60/47/13/676604713.db2.gz	MWKSLGHVKYXVDO-IYBDPMFKSA-N	1	0	365.499	1.974	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)C[C@@H]1C	ZINC000328742718	676604927	/nfs/dbraw/zinc/60/49/27/676604927.db2.gz	OCQFNLAJYFPUEI-SOUVJXGZSA-N	1	0	360.524	1.129	20	30		FDEDRO
CCS(=O)(=O)N1CCC(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1	ZINC000328828282	676608655	/nfs/dbraw/zinc/60/86/55/676608655.db2.gz	TUKCLSYMRBPNTB-MRXNPFEDSA-N	1	0	372.535	1.275	20	30		FDEDRO
O=C(Nc1nc(CN2CCOCC2)cs1)N1CCN2CCCC[C@@H]2C1	ZINC000328861638	676610019	/nfs/dbraw/zinc/61/00/19/676610019.db2.gz	VMGVCUHZDHPROT-OAHLLOKOSA-N	1	0	365.503	1.691	20	30		FDEDRO
C[C@H](CNC(=O)N1CCOC[C@H]1c1ncnn1C)[NH+]1CCC(C)CC1	ZINC000328878851	676610481	/nfs/dbraw/zinc/61/04/81/676610481.db2.gz	LEZHZUUJCDYVCO-CABCVRRESA-N	1	0	350.467	1.223	20	30		FDEDRO
O=C(NC1CCC(F)(F)CC1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1	ZINC000328924154	676612380	/nfs/dbraw/zinc/61/23/80/676612380.db2.gz	VHIMLXXZKOTFBU-CYBMUJFWSA-N	1	0	359.417	1.702	20	30		FDEDRO
CN1C(=O)N[C@@H]2CN(C(=O)NCC3([NH+](C)C)CCCCCC3)CC[C@@H]21	ZINC000328958301	676613796	/nfs/dbraw/zinc/61/37/96/676613796.db2.gz	JRMIHRBCXSABDG-CABCVRRESA-N	1	0	351.495	1.857	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)CN2CCN(C)[C@H](c3nc(C)no3)C2)CC1	ZINC000328986110	676614916	/nfs/dbraw/zinc/61/49/16/676614916.db2.gz	ZWHYHPFGIJWQOS-HNNXBMFYSA-N	1	0	350.467	1.107	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1	ZINC000329058050	676617739	/nfs/dbraw/zinc/61/77/39/676617739.db2.gz	MQKVWIJYIQRYHL-FZKCQIBNSA-N	1	0	352.479	1.095	20	30		FDEDRO
Cc1nc(CN2CCN(C(=O)NC[C@@H](C)[N@H+](C)C3CC3)CC2)cs1	ZINC000329111728	676620453	/nfs/dbraw/zinc/62/04/53/676620453.db2.gz	KEIYOFVWRDRNSQ-CYBMUJFWSA-N	1	0	351.520	1.966	20	30		FDEDRO
C[C@@H]1CCN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC12CCC2	ZINC000329147064	676622512	/nfs/dbraw/zinc/62/25/12/676622512.db2.gz	OTKMWSYGBCGWAV-CHWSQXEVSA-N	1	0	357.476	1.556	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCN(CC(F)(F)F)C(=O)C2)C1	ZINC000329238982	676627627	/nfs/dbraw/zinc/62/76/27/676627627.db2.gz	LOWDSCLWJXIVAV-CYBMUJFWSA-N	1	0	364.412	1.727	20	30		FDEDRO
CC[C@@H]1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)C[C@H](C)S1(=O)=O	ZINC000329267092	676629493	/nfs/dbraw/zinc/62/94/93/676629493.db2.gz	HQRHXSAFLNISOD-XJKSGUPXSA-N	1	0	357.520	1.672	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)[C@@H]2CCCC[C@@H]21	ZINC000329332286	676633536	/nfs/dbraw/zinc/63/35/36/676633536.db2.gz	ZUVOMWFJDUNRIT-AAVRWANBSA-N	1	0	357.476	1.555	20	30		FDEDRO
N#CC1(CS(=O)(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CCCC1	ZINC000329510261	676641951	/nfs/dbraw/zinc/64/19/51/676641951.db2.gz	JYRYNZPNPQMMOE-UHFFFAOYSA-N	1	0	369.531	1.834	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)[C@@H](C)C1	ZINC000329585852	676645178	/nfs/dbraw/zinc/64/51/78/676645178.db2.gz	YFBGFJQITAZRBK-VIQHNZTISA-N	1	0	351.491	1.635	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)[C@]12CCCO2	ZINC000329590495	676645728	/nfs/dbraw/zinc/64/57/28/676645728.db2.gz	TUTVAXRCAYMJMB-QYXWGXCQSA-N	1	0	355.479	1.014	20	30		FDEDRO
O=C(NC[C@H]1CCCCS1(=O)=O)NCC1([NH+]2CCCC2)CCOCC1	ZINC000329644079	676647846	/nfs/dbraw/zinc/64/78/46/676647846.db2.gz	JAGNPCINYDZWOT-OAHLLOKOSA-N	1	0	373.519	1.102	20	30		FDEDRO
CCN(CC)C(=O)N1CCN(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)CC1	ZINC000329691826	676649803	/nfs/dbraw/zinc/64/98/03/676649803.db2.gz	BZMLPWFPDYELPJ-OAHLLOKOSA-N	1	0	351.495	1.630	20	30		FDEDRO
Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1	ZINC000329700892	676650225	/nfs/dbraw/zinc/65/02/25/676650225.db2.gz	HDJRKHSQJRWQNX-SUZMYJTESA-N	1	0	358.464	1.397	20	30		FDEDRO
[O-]C(=[NH+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCn2c(nnc2C(F)(F)F)C1	ZINC000329801866	676657408	/nfs/dbraw/zinc/65/74/08/676657408.db2.gz	YWALRSUWKVCWLU-MNOVXSKESA-N	1	0	358.368	1.653	20	30		FDEDRO
Cc1nc(CN2CCN(C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)cs1	ZINC000329812936	676658213	/nfs/dbraw/zinc/65/82/13/676658213.db2.gz	SKVNORSIKXALLP-UKRRQHHQSA-N	1	0	351.520	1.966	20	30		FDEDRO
C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@@H](C2CC2)O1	ZINC000329899626	676663143	/nfs/dbraw/zinc/66/31/43/676663143.db2.gz	FQEXLAPYIKYXIY-ZSGPHXLJSA-N	1	0	351.491	1.778	20	30		FDEDRO
Cn1cc(C2CCN(C(=O)NC[C@@]3([NH+](C)C)CCSC3)CC2)cn1	ZINC000329962766	676665915	/nfs/dbraw/zinc/66/59/15/676665915.db2.gz	SWTIFVWSEMOXRZ-KRWDZBQOSA-N	1	0	351.520	1.951	20	30		FDEDRO
CN(C1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)CC1)S(C)(=O)=O	ZINC000329994010	676667976	/nfs/dbraw/zinc/66/79/76/676667976.db2.gz	LWMSNDAQTRHANJ-UHFFFAOYSA-N	1	0	372.535	1.273	20	30		FDEDRO
C[NH+]1CCC([C@H]2CCN(C(=O)NCc3nc(C(F)(F)F)n[nH]3)C2)CC1	ZINC000330140373	676674788	/nfs/dbraw/zinc/67/47/88/676674788.db2.gz	WXKSPXAPCGQHPL-NSHDSACASA-N	1	0	360.384	1.901	20	30		FDEDRO
Cc1nc([C@H](C)NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cs1	ZINC000330153253	676675372	/nfs/dbraw/zinc/67/53/72/676675372.db2.gz	XCDWITDHATXZRC-SWLSCSKDSA-N	1	0	365.503	1.665	20	30		FDEDRO
C[C@H](CO[C@@H]1CCOC1)NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C	ZINC000330200482	676678126	/nfs/dbraw/zinc/67/81/26/676678126.db2.gz	AHRKSBZHZSPRSS-BFYDXBDKSA-N	1	0	355.479	1.280	20	30		FDEDRO
C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2	ZINC000330218386	676679324	/nfs/dbraw/zinc/67/93/24/676679324.db2.gz	OQXWEXQDSAZLBH-JJTUDDRGSA-N	1	0	351.491	1.635	20	30		FDEDRO
COC(=O)[C@]1(C)C[N@H+](CC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)C[C@H]1C	ZINC000330375175	676686437	/nfs/dbraw/zinc/68/64/37/676686437.db2.gz	GFJBDSHTHVIDMJ-UHQDVWGKSA-N	1	0	353.463	1.726	20	30		FDEDRO
CN(C)C(=O)Nc1ccc(Cl)c(C(=O)NC[C@H]2C[N@H+](C)CCN2C)c1	ZINC000330385850	676687838	/nfs/dbraw/zinc/68/78/38/676687838.db2.gz	UFLPCEYWUQTSCY-ZDUSSCGKSA-N	1	0	367.881	1.998	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O	ZINC000330593119	676697444	/nfs/dbraw/zinc/69/74/44/676697444.db2.gz	WGIPJCILJOXHSF-BQUOXIOCSA-N	1	0	351.491	1.681	20	30		FDEDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1	ZINC000330968353	676711602	/nfs/dbraw/zinc/71/16/02/676711602.db2.gz	BRJZJFVJYQUGIV-LBPRGKRZSA-N	1	0	374.894	1.315	20	30		FDEDRO
COC(=O)c1ccc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1F	ZINC000331074219	676715970	/nfs/dbraw/zinc/71/59/70/676715970.db2.gz	VGJLROOLOLBMMA-UHFFFAOYSA-N	1	0	353.394	1.546	20	30		FDEDRO
C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)Nc2ccn(CC[NH+](C)C)n2)C1	ZINC000331100799	676716659	/nfs/dbraw/zinc/71/66/59/676716659.db2.gz	CWKCBOHFMBZCBW-KDOFPFPSSA-N	1	0	351.495	2.348	20	30		FDEDRO
COC(=O)C(C)(C)CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000331111852	676717023	/nfs/dbraw/zinc/71/70/23/676717023.db2.gz	LLTMALRQMJKSHH-CABCVRRESA-N	1	0	355.479	1.457	20	30		FDEDRO
CC(=O)N[C@H](C)C1CC[NH+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)CC1	ZINC000331111708	676717054	/nfs/dbraw/zinc/71/70/54/676717054.db2.gz	IXIOIYGFKKJOTB-NXEZZACHSA-N	1	0	366.384	1.204	20	30		FDEDRO
COCCC(=O)N1CCC(NC(=O)N2CCC([NH2+]C(C)C)CC2)CC1	ZINC000331175718	676719912	/nfs/dbraw/zinc/71/99/12/676719912.db2.gz	WYOVDBRATPUIDG-UHFFFAOYSA-N	1	0	354.495	1.390	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCCOc2ccc(F)cc2)CC[N@@H+]1CC(C)(C)O	ZINC000331215956	676722293	/nfs/dbraw/zinc/72/22/93/676722293.db2.gz	DIJYDMCWGMWEFP-CQSZACIVSA-N	1	0	353.438	1.896	20	30		FDEDRO
CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccccc2S(=O)(=O)N(C)C)C1	ZINC000331257830	676724334	/nfs/dbraw/zinc/72/43/34/676724334.db2.gz	YMKCNBSSOKCZRJ-AWEZNQCLSA-N	1	0	368.503	1.899	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C[C@H]2[C@H](C)O)CC1	ZINC000331278271	676725502	/nfs/dbraw/zinc/72/55/02/676725502.db2.gz	GUOCYXYNIPIXBD-VSZNYVQBSA-N	1	0	350.507	1.160	20	30		FDEDRO
CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@H](S(N)(=O)=O)C2)CC1	ZINC000331301738	676726551	/nfs/dbraw/zinc/72/65/51/676726551.db2.gz	RRGJXWJAFNIOKC-HNNXBMFYSA-N	1	0	360.524	1.021	20	30		FDEDRO
COc1cnccc1[C@H](C)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C	ZINC000331325384	676727618	/nfs/dbraw/zinc/72/76/18/676727618.db2.gz	NTCZCSSKCMEQQU-KBPBESRZSA-N	1	0	350.463	1.842	20	30		FDEDRO
CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(=O)N3CC[C@@H]([NH3+])C3)sc2C1	ZINC000331868583	676735343	/nfs/dbraw/zinc/73/53/43/676735343.db2.gz	XXWJFXCQYGOXQN-VXGBXAGGSA-N	1	0	360.483	1.879	20	30		FDEDRO
C[NH+](C)[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1	ZINC000332185481	676737097	/nfs/dbraw/zinc/73/70/97/676737097.db2.gz	OKJDYSUBOUHQQJ-ZDUSSCGKSA-N	1	0	358.833	2.565	20	30		FDEDRO
CS[C@@H]1CN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C[C@H]1[NH+]1CCCC1	ZINC000332396861	676741342	/nfs/dbraw/zinc/74/13/42/676741342.db2.gz	TXZGCUJDTABENC-YFHUEUNASA-N	1	0	352.548	1.941	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1C[C@H](CO)OC(C)(C)C1)C(C)C	ZINC000422168629	680696001	/nfs/dbraw/zinc/69/60/01/680696001.db2.gz	KORHAEQSNFSTOX-SJORKVTESA-N	1	0	353.507	1.866	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000367163237	677489737	/nfs/dbraw/zinc/48/97/37/677489737.db2.gz	AWRMRNIFYJWCMU-SJLPKXTDSA-N	1	0	364.515	1.967	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1	ZINC000368066526	677497612	/nfs/dbraw/zinc/49/76/12/677497612.db2.gz	YCESIJPUNBESGO-ZFWWWQNUSA-N	1	0	351.834	1.360	20	30		FDEDRO
O=S1(=O)CC[C@@H]([NH2+]C2CCN(CC#Cc3ccc(Cl)cc3)CC2)C1	ZINC000369016190	677502700	/nfs/dbraw/zinc/50/27/00/677502700.db2.gz	IKNUIEZKFCUMAF-GOSISDBHSA-N	1	0	366.914	1.933	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccs2)CC1	ZINC000369757153	677514820	/nfs/dbraw/zinc/51/48/20/677514820.db2.gz	KEUUUPJJCUBCLA-QAPCUYQASA-N	1	0	359.495	1.871	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1cc2c(s1)CCS(=O)(=O)C2	ZINC000370515009	677586922	/nfs/dbraw/zinc/58/69/22/677586922.db2.gz	QKSPUXQHRFOHAD-UHFFFAOYSA-N	1	0	369.512	1.527	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccnc2)C1	ZINC000370526693	677587730	/nfs/dbraw/zinc/58/77/30/677587730.db2.gz	FTTOHVVRSVYCLT-NVXWUHKLSA-N	1	0	365.503	1.219	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)CC1	ZINC000370568380	677592731	/nfs/dbraw/zinc/59/27/31/677592731.db2.gz	IFYAROPYSFCLPC-ROUUACIJSA-N	1	0	350.507	1.579	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CCN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1	ZINC000371099475	677646546	/nfs/dbraw/zinc/64/65/46/677646546.db2.gz	LCASICQDBXJBGA-BHIYHBOVSA-N	1	0	359.495	1.748	20	30		FDEDRO
C[NH+]1CCN(C[C@@H]2CN(Cc3ccc(F)c(C#N)c3Cl)CCO2)CC1	ZINC000373035806	678013176	/nfs/dbraw/zinc/01/31/76/678013176.db2.gz	JZTOPEIBDNKCKH-OAHLLOKOSA-N	1	0	366.868	1.799	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)C1CCN(c2cc[nH+]cc2)CC1	ZINC000374409746	678078694	/nfs/dbraw/zinc/07/86/94/678078694.db2.gz	PHGUYVYAGONUPL-HNNXBMFYSA-N	1	0	365.503	1.709	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000375826412	678182117	/nfs/dbraw/zinc/18/21/17/678182117.db2.gz	WHSKARZLAZCBTE-QGZVFWFLSA-N	1	0	365.499	1.409	20	30		FDEDRO
C[NH+]1CCN([C@@H]2CCCCN(S(=O)(=O)c3ccc(C#N)s3)C2)CC1	ZINC000376006338	678211373	/nfs/dbraw/zinc/21/13/73/678211373.db2.gz	IXBUMEIUUOHJCY-CQSZACIVSA-N	1	0	368.528	1.410	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@]2(CC[NH2+]C2)C1	ZINC000376752347	678373085	/nfs/dbraw/zinc/37/30/85/678373085.db2.gz	YKBGHXSJTSONRI-HNNXBMFYSA-N	1	0	350.400	1.231	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000409475719	678846703	/nfs/dbraw/zinc/84/67/03/678846703.db2.gz	OXXQLAUQPCWUCT-OAGGEKHMSA-N	1	0	360.524	1.192	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C	ZINC000409490580	678850392	/nfs/dbraw/zinc/85/03/92/678850392.db2.gz	HSQZHDCDYDUTBC-MRXNPFEDSA-N	1	0	360.524	1.193	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000409502390	678854096	/nfs/dbraw/zinc/85/40/96/678854096.db2.gz	PJKJZFHDZUGFBW-OIISXLGYSA-N	1	0	372.535	1.070	20	30		FDEDRO
CC[NH+](CC)Cc1ccc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)cc1	ZINC000409558494	678859433	/nfs/dbraw/zinc/85/94/33/678859433.db2.gz	VINVCTOMRAMJKX-QGZVFWFLSA-N	1	0	366.487	1.087	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000410152547	678886485	/nfs/dbraw/zinc/88/64/85/678886485.db2.gz	AFMXMDMRPXZERI-HZPDHXFCSA-N	1	0	372.535	1.288	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NCC1([NH+](C)C)Cc2ccccc2C1	ZINC000410158820	678887827	/nfs/dbraw/zinc/88/78/27/678887827.db2.gz	JNNVAGBAYBVNCG-UHFFFAOYSA-N	1	0	350.488	1.156	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[NH2+][C@H](CO)C2CCOCC2)cc1Cl	ZINC000411506369	679044733	/nfs/dbraw/zinc/04/47/33/679044733.db2.gz	PQSWVNFMSFUEHH-MRXNPFEDSA-N	1	0	351.834	1.917	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NC[C@H](O)COc1ccc(C(F)(F)F)cc1	ZINC000424102990	680829959	/nfs/dbraw/zinc/82/99/59/680829959.db2.gz	CNPVAFDGZMDHNH-JSGCOSHPSA-N	1	0	359.348	1.582	20	30		FDEDRO
C[C@@H]1C[C@H](O)C[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1	ZINC000412037869	679146188	/nfs/dbraw/zinc/14/61/88/679146188.db2.gz	NHZFQABJSQNOLI-OWCLPIDISA-N	1	0	362.499	1.160	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)[C@H]([NH3+])CCCC#N	ZINC000424097969	680829571	/nfs/dbraw/zinc/82/95/71/680829571.db2.gz	SESZBXISFYDOPE-OAHLLOKOSA-N	1	0	366.487	1.984	20	30		FDEDRO
C[C@H](CC[NH3+])NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	ZINC000414912762	679373847	/nfs/dbraw/zinc/37/38/47/679373847.db2.gz	KXHGPXGURDXOKH-SNVBAGLBSA-N	1	0	362.484	2.561	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)ccc1Br	ZINC000415318802	679407688	/nfs/dbraw/zinc/40/76/88/679407688.db2.gz	RQJDVHYGJSNYSI-LLVKDONJSA-N	1	0	351.204	1.127	20	30		FDEDRO
C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000415537580	679446774	/nfs/dbraw/zinc/44/67/74/679446774.db2.gz	GZBMDPNEUBHOCC-ZJUUUORDSA-N	1	0	365.231	1.455	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1	ZINC000415557099	679450925	/nfs/dbraw/zinc/45/09/25/679450925.db2.gz	CVQPEZYGIAHJQD-ONGXEEELSA-N	1	0	365.231	1.455	20	30		FDEDRO
N#CCc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(Cl)c1	ZINC000415578908	679457313	/nfs/dbraw/zinc/45/73/13/679457313.db2.gz	JGJNCBJWZFXYNH-YDHLFZDLSA-N	1	0	360.845	1.930	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1	ZINC000415809317	679510229	/nfs/dbraw/zinc/51/02/29/679510229.db2.gz	TYNYIHHOFOOJJE-AWEZNQCLSA-N	1	0	355.364	1.824	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1Cl	ZINC000415852389	679526445	/nfs/dbraw/zinc/52/64/45/679526445.db2.gz	JOFOVXYALZKABI-STQMWFEESA-N	1	0	360.845	1.998	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCC[NH2+]C1CCCCCC1	ZINC000418818678	680129334	/nfs/dbraw/zinc/12/93/34/680129334.db2.gz	CABQWSWSZJKXML-DOTOQJQBSA-N	1	0	351.491	1.512	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1	ZINC000418916679	680152464	/nfs/dbraw/zinc/15/24/64/680152464.db2.gz	HJJYBFSKOPOABO-AWEZNQCLSA-N	1	0	360.483	1.023	20	30		FDEDRO
O=C(NCC#Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H]1CCC[NH2+]C1	ZINC000419121283	680194104	/nfs/dbraw/zinc/19/41/04/680194104.db2.gz	VBDKKQMYXHVRTD-CQSZACIVSA-N	1	0	353.344	1.041	20	30		FDEDRO
O=C(NCC#Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H]1CCC[NH2+]C1	ZINC000419121282	680194147	/nfs/dbraw/zinc/19/41/47/680194147.db2.gz	VBDKKQMYXHVRTD-AWEZNQCLSA-N	1	0	353.344	1.041	20	30		FDEDRO
COCCCC[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000419377525	680247885	/nfs/dbraw/zinc/24/78/85/680247885.db2.gz	CIQPAJUYVPSIGF-MRXNPFEDSA-N	1	0	364.515	1.815	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N[C@H]1CCC[NH2+][C@@H]1C)c1ccc(F)c(F)c1	ZINC000419677457	680317318	/nfs/dbraw/zinc/31/73/18/680317318.db2.gz	MWIPYEFJWYJESB-RLCCDNCMSA-N	1	0	351.397	1.955	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C)c1ccc(F)c(F)c1	ZINC000419677456	680317478	/nfs/dbraw/zinc/31/74/78/680317478.db2.gz	MWIPYEFJWYJESB-LYRGGWFBSA-N	1	0	351.397	1.955	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(C#N)c1Br	ZINC000419694177	680324973	/nfs/dbraw/zinc/32/49/73/680324973.db2.gz	IWSSVWOFJMODHT-NSHDSACASA-N	1	0	365.231	1.470	20	30		FDEDRO
C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)NCC[NH2+]C	ZINC000419891283	680375181	/nfs/dbraw/zinc/37/51/81/680375181.db2.gz	ILCPMRFJLJAAGD-UHFFFAOYSA-N	1	0	372.238	1.438	20	30		FDEDRO
C=CCSc1ccccc1NC(=O)CN1CC[C@@H](N2CC[NH2+]CC2)C1	ZINC000420347461	680434369	/nfs/dbraw/zinc/43/43/69/680434369.db2.gz	GTIVYWJKAMIEJW-MRXNPFEDSA-N	1	0	360.527	1.883	20	30		FDEDRO
C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000420421069	680444278	/nfs/dbraw/zinc/44/42/78/680444278.db2.gz	FKCBXAYKOJDBOP-ZANVPECISA-N	1	0	358.261	1.740	20	30		FDEDRO
CN(C1(C[NH3+])CCC1)S(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000420446031	680454742	/nfs/dbraw/zinc/45/47/42/680454742.db2.gz	NWWIVPNOWVUQHN-UHFFFAOYSA-N	1	0	358.261	1.823	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)s1	ZINC000435426228	681592735	/nfs/dbraw/zinc/59/27/35/681592735.db2.gz	HBZJGXDZUJHMLY-HUUCEWRRSA-N	1	0	369.512	1.666	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1	ZINC000435750028	681633528	/nfs/dbraw/zinc/63/35/28/681633528.db2.gz	MJQHOHFPOVRVCH-YESZJQIVSA-N	1	0	353.488	1.488	20	30		FDEDRO
CCOC(=O)[C@@]1(COC)CCC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1	ZINC000439469217	681930126	/nfs/dbraw/zinc/93/01/26/681930126.db2.gz	MHRLCLLZSNXWLV-PBHICJAKSA-N	1	0	351.447	1.229	20	30		FDEDRO
C[NH+](C)CC(=O)N1CCN(Cc2ccc(C#N)cc2OC(F)F)CC1	ZINC000439542079	681933683	/nfs/dbraw/zinc/93/36/83/681933683.db2.gz	OIHPHSDYZYLBII-UHFFFAOYSA-N	1	0	352.385	1.365	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1	ZINC000440812139	682026831	/nfs/dbraw/zinc/02/68/31/682026831.db2.gz	SSICGUQSQLPMHP-DOMZBBRYSA-N	1	0	358.414	1.090	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)N1CCOC(C)(C)C1)C(C)C	ZINC000444101829	682380841	/nfs/dbraw/zinc/38/08/41/682380841.db2.gz	APEFEBCPUSFOOZ-INIZCTEOSA-N	1	0	359.536	1.630	20	30		FDEDRO
N#CCCN(C(=O)C[NH2+][C@H](CO)[C@@H]1CCCO1)c1cccc(Cl)c1	ZINC000447918014	682579123	/nfs/dbraw/zinc/57/91/23/682579123.db2.gz	RVPRXXNLGMRQOG-CVEARBPZSA-N	1	0	351.834	1.716	20	30		FDEDRO
COC[C@]1(CO)CC[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000451937577	682975142	/nfs/dbraw/zinc/97/51/42/682975142.db2.gz	URMORGQGNLOQCL-BDFRZKONSA-N	1	0	351.491	1.637	20	30		FDEDRO
C=CCC[C@@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)C(=O)OCC	ZINC000451987165	682990888	/nfs/dbraw/zinc/99/08/88/682990888.db2.gz	FZQPIOQLPIJFIP-MRXNPFEDSA-N	1	0	354.472	1.924	20	30		FDEDRO
N#Cc1cc(Br)ccc1C(=O)NC[C@@H]1CCCC[N@H+]1CCO	ZINC000452796825	683120630	/nfs/dbraw/zinc/12/06/30/683120630.db2.gz	LUYRTLRTIWKKJC-AWEZNQCLSA-N	1	0	366.259	1.897	20	30		FDEDRO
C=CCC[C@@H](CO)[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000453363184	683160465	/nfs/dbraw/zinc/16/04/65/683160465.db2.gz	QMIUXSITQQWDAO-WBVHZDCISA-N	1	0	368.499	1.685	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC(C)(C)CN1CC[NH+](CC)CC1	ZINC000458725133	684311634	/nfs/dbraw/zinc/31/16/34/684311634.db2.gz	FXRPBSCCMNOLRE-IRXDYDNUSA-N	1	0	352.523	1.683	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H]([NH+](CC)CC)C2)c1	ZINC000462673817	684656874	/nfs/dbraw/zinc/65/68/74/684656874.db2.gz	GIWDHGVSLBOPLZ-INIZCTEOSA-N	1	0	365.499	1.707	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cc(CS(C)(=O)=O)c(C)s2)CC1	ZINC000471284256	685122041	/nfs/dbraw/zinc/12/20/41/685122041.db2.gz	UUIPCWZXTSUMFE-UHFFFAOYSA-N	1	0	356.513	1.981	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)N1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1	ZINC000472349605	685200456	/nfs/dbraw/zinc/20/04/56/685200456.db2.gz	RXGBOZYHWCRSRS-ROUUACIJSA-N	1	0	364.515	1.749	20	30		FDEDRO
Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C[C@@H](C)C#N)C1CC1	ZINC000477476717	685857768	/nfs/dbraw/zinc/85/77/68/685857768.db2.gz	OTFFLBHPMSNRGU-LBPRGKRZSA-N	1	0	353.492	1.374	20	30		FDEDRO
COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)N(C)CCC#N)c1	ZINC000480751309	686220334	/nfs/dbraw/zinc/22/03/34/686220334.db2.gz	BYFVHVNFJRCHOK-UHFFFAOYSA-N	1	0	354.476	1.149	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2ccc(C#N)s2)cc1	ZINC000487232543	686969514	/nfs/dbraw/zinc/96/95/14/686969514.db2.gz	NWCCAAVYLZCKKQ-UHFFFAOYSA-N	1	0	356.451	1.841	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(CC(C)C)C(=O)[C@@H]2C)CC1	ZINC000488891517	687066155	/nfs/dbraw/zinc/06/61/55/687066155.db2.gz	BLJZZHNHWKYXDD-INIZCTEOSA-N	1	0	350.507	1.925	20	30		FDEDRO
CC1CC[NH+](C[C@H](O)CNS(=O)(=O)c2ccc(C#N)c(F)c2)CC1	ZINC000489441059	687099049	/nfs/dbraw/zinc/09/90/49/687099049.db2.gz	CVFWVHWABFBWOF-CQSZACIVSA-N	1	0	355.435	1.068	20	30		FDEDRO
COC(=O)CC1([NH2+]CCC(=O)Nc2sccc2C#N)CCOCC1	ZINC000489992590	687125412	/nfs/dbraw/zinc/12/54/12/687125412.db2.gz	KHIJDSCQXMEDGS-UHFFFAOYSA-N	1	0	351.428	1.650	20	30		FDEDRO
CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)C1	ZINC000499352402	687942051	/nfs/dbraw/zinc/94/20/51/687942051.db2.gz	QAFHNDDDAPHBOR-DLBZAZTESA-N	1	0	350.507	1.965	20	30		FDEDRO
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)C1	ZINC000499352405	687942089	/nfs/dbraw/zinc/94/20/89/687942089.db2.gz	QAFHNDDDAPHBOR-IAGOWNOFSA-N	1	0	350.507	1.965	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@H]1CCOC1	ZINC000500226105	688054009	/nfs/dbraw/zinc/05/40/09/688054009.db2.gz	OPUGPALJMNKNRT-HRCADAONSA-N	1	0	362.499	1.472	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCO[C@@H](C(=O)OC)C1)C(C)C	ZINC000503397848	688354311	/nfs/dbraw/zinc/35/43/11/688354311.db2.gz	INNRJQIQJHJPJP-JKSUJKDBSA-N	1	0	353.463	1.268	20	30		FDEDRO
CO[C@H]1C[C@@H]([N@H+](C)CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1	ZINC000510093008	689346082	/nfs/dbraw/zinc/34/60/82/689346082.db2.gz	DYEGAQLXZQDSCR-XHSDSOJGSA-N	1	0	362.499	1.566	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)[C@@H](C)C1	ZINC000510146435	689350601	/nfs/dbraw/zinc/35/06/01/689350601.db2.gz	HXFHTMQGBQJAQQ-JYJNAYRXSA-N	1	0	360.524	1.192	20	30		FDEDRO
N#Cc1ccc(Cl)c(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1	ZINC000511148345	689478159	/nfs/dbraw/zinc/47/81/59/689478159.db2.gz	XUJUMOXLHLFYGS-UHFFFAOYSA-N	1	0	360.845	1.592	20	30		FDEDRO
C=CCCS(=O)(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000511345069	689511472	/nfs/dbraw/zinc/51/14/72/689511472.db2.gz	QMNIRFVCCHRAGD-IBGZPJMESA-N	1	0	363.527	1.784	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2cccc(NS(C)(=O)=O)c2)CC1	ZINC000520703663	690349500	/nfs/dbraw/zinc/34/95/00/690349500.db2.gz	NNRGIEKTGUSXAT-UHFFFAOYSA-N	1	0	366.487	1.508	20	30		FDEDRO
N#CC1(NC(=O)CN2CC[NH+](CCCOCC(F)(F)F)CC2)CCC1	ZINC000527135888	694655766	/nfs/dbraw/zinc/65/57/66/694655766.db2.gz	OLQJPCDQQLUJOV-UHFFFAOYSA-N	1	0	362.396	1.135	20	30		FDEDRO
N#C[C@@H](CO)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1	ZINC000529465405	694782377	/nfs/dbraw/zinc/78/23/77/694782377.db2.gz	AMQGDBNCXIXFQL-ARFHVFGLSA-N	1	0	356.451	1.359	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[NH2+]C[C@@H]2C(C)C)c1	ZINC000638484012	695362834	/nfs/dbraw/zinc/36/28/34/695362834.db2.gz	MJFSUZFKQGVONM-MRXNPFEDSA-N	1	0	351.472	1.221	20	30		FDEDRO
CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1ccc(Cl)nc1C#N	ZINC001164616708	719014314	/nfs/dbraw/zinc/01/43/14/719014314.db2.gz	LKQMCEVBMLFRDO-JIMOISOXSA-N	1	0	370.787	1.881	20	30		FDEDRO
CC(C)[N@H+]1[C@@H]2CCN(c3cnc(C#N)cn3)C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164833713	720517293	/nfs/dbraw/zinc/51/72/93/720517293.db2.gz	DOODLHUDBFCVNQ-RYQLBKOJSA-N	1	0	351.458	1.923	20	30		FDEDRO
COc1nc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c(F)cc1C#N	ZINC001164736542	720577981	/nfs/dbraw/zinc/57/79/81/720577981.db2.gz	NBXZYVXBAJINIK-UHFFFAOYSA-N	1	0	370.432	1.956	20	30		FDEDRO
Cc1nc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1C#N	ZINC001164740050	720700690	/nfs/dbraw/zinc/70/06/90/720700690.db2.gz	PJOMRESGXQBXEJ-CHWSQXEVSA-N	1	0	371.832	1.442	20	30		FDEDRO
N#Cc1cc2c(nc1N1CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C1)CCC2	ZINC001164737467	720762674	/nfs/dbraw/zinc/76/26/74/720762674.db2.gz	BUCKEARJBLOHBB-IAGOWNOFSA-N	1	0	362.437	1.574	20	30		FDEDRO
Cc1ccc(CC#N)c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1	ZINC001164740959	720773362	/nfs/dbraw/zinc/77/33/62/720773362.db2.gz	LSYQRBLLLKWBFZ-IAGOWNOFSA-N	1	0	350.426	1.588	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3[nH]ccc4ncc(C#N)c3-4)CC[C@H]2C1	ZINC001164852111	720870019	/nfs/dbraw/zinc/87/00/19/720870019.db2.gz	CBQHXMHWSMBLAX-WMLDXEAASA-N	1	0	355.442	1.608	20	30		FDEDRO
N#Cc1cnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(C#N)c1	ZINC001164867062	721068748	/nfs/dbraw/zinc/06/87/48/721068748.db2.gz	HEJKIOMJUUTSBP-RTBURBONSA-N	1	0	360.421	1.700	20	30		FDEDRO
N#Cc1cnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(F)c1	ZINC001164865189	721119755	/nfs/dbraw/zinc/11/97/55/721119755.db2.gz	JLTUZQHZIYGIRM-SJORKVTESA-N	1	0	353.401	1.967	20	30		FDEDRO
Cc1ccnc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c1C#N	ZINC001164870318	721263285	/nfs/dbraw/zinc/26/32/85/721263285.db2.gz	VQMRJNDVKOJURU-UHFFFAOYSA-N	1	0	371.485	1.269	20	30		FDEDRO
Cc1cc(C#N)cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n1	ZINC001164878702	721289464	/nfs/dbraw/zinc/28/94/64/721289464.db2.gz	UBNHSTIEMPNZPV-UHFFFAOYSA-N	1	0	371.485	1.269	20	30		FDEDRO
CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncccc4C#N)C3)O2)CC1	ZINC001164894440	721384101	/nfs/dbraw/zinc/38/41/01/721384101.db2.gz	XYQWOHMHZICXFA-QUCCMNQESA-N	1	0	355.486	1.719	20	30		FDEDRO
CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncccc4C#N)C3)O2)CC1	ZINC001164894438	721384251	/nfs/dbraw/zinc/38/42/51/721384251.db2.gz	XYQWOHMHZICXFA-AZUAARDMSA-N	1	0	355.486	1.719	20	30		FDEDRO
C[NH+](C)CCOCc1ncn2c1CN(c1nccc(F)c1C#N)CCC2	ZINC001165002628	722254599	/nfs/dbraw/zinc/25/45/99/722254599.db2.gz	RPYVPCFIPVOOHA-UHFFFAOYSA-N	1	0	358.421	1.777	20	30		FDEDRO
C=C(C)COCC[NH2+]Cc1cn(C)nc1CN1C(=O)c2ccccc2C1=O	ZINC000657398744	782556897	/nfs/dbraw/zinc/55/68/97/782556897.db2.gz	LRUHKIGWUCMNQO-UHFFFAOYSA-N	1	0	368.437	1.899	20	30		FDEDRO
Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)c(F)c1	ZINC001104718656	790325078	/nfs/dbraw/zinc/32/50/78/790325078.db2.gz	HZPHZXDPUQMRDL-HUUCEWRRSA-N	1	0	360.433	1.462	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C	ZINC001020416002	769337314	/nfs/dbraw/zinc/33/73/14/769337314.db2.gz	RZXOVSDOOZPMKG-QAETUUGQSA-N	1	0	361.486	1.169	20	30		FDEDRO
C#CCN(CC#CC)C(=O)C(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1	ZINC000784930432	769826759	/nfs/dbraw/zinc/82/67/59/769826759.db2.gz	XCZHUTXBCYRMFN-QGZVFWFLSA-N	1	0	367.449	1.503	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N[C@@H](CO)CC[NH+](CC)CC)cc2C1=O	ZINC000655047713	769899334	/nfs/dbraw/zinc/89/93/34/769899334.db2.gz	KMKPWXUHXHWDGT-OAHLLOKOSA-N	1	0	373.453	1.291	20	30		FDEDRO
Cc1ccc(CNC(Nc2ccccc2)=[NH+]CCN2CCNC(=O)C2)cc1	ZINC000510091265	770033863	/nfs/dbraw/zinc/03/38/63/770033863.db2.gz	WYYSKCUOXSZXPD-UHFFFAOYSA-N	1	0	365.481	1.985	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)CC(F)F)C2	ZINC001112478026	770141635	/nfs/dbraw/zinc/14/16/35/770141635.db2.gz	QWNIQNCBDODSAT-GLJUWKHASA-N	1	0	357.445	1.798	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccc(F)cc2C#N)CCCO1	ZINC000277596340	782816874	/nfs/dbraw/zinc/81/68/74/782816874.db2.gz	AOKAAAWJGSDISA-ZDUSSCGKSA-N	1	0	362.405	1.253	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+][C@H]2CCN(C)C2=O)c1	ZINC001087211201	782826105	/nfs/dbraw/zinc/82/61/05/782826105.db2.gz	WWAGQPVTJIOXAF-JLSDUUJJSA-N	1	0	354.454	1.124	20	30		FDEDRO
CCC[NH+]1CCN(c2ccccc2CN=Nc2nccn(C)c2=O)CC1	ZINC000748079120	770358467	/nfs/dbraw/zinc/35/84/67/770358467.db2.gz	CKMCWRBQXHZQTQ-UHFFFAOYSA-N	1	0	354.458	1.758	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@](C)(C(=O)NC)C2)c(OC)c1	ZINC000430259626	770813400	/nfs/dbraw/zinc/81/34/00/770813400.db2.gz	FPSJCLAGJZJZSQ-JXFKEZNVSA-N	1	0	362.470	1.621	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCCCC2)C1	ZINC001020707365	771280292	/nfs/dbraw/zinc/28/02/92/771280292.db2.gz	BAXWNGGKUVDPSR-DWRORGKVSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)C1	ZINC001020714301	771286647	/nfs/dbraw/zinc/28/66/47/771286647.db2.gz	QVGDLMWLZUXCJH-TXTZMMAHSA-N	1	0	363.502	1.604	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc(C3CC3)[nH]2)C1	ZINC001020716634	771289455	/nfs/dbraw/zinc/28/94/55/771289455.db2.gz	VAHMBUOXPUNDDH-JKQORVJESA-N	1	0	359.474	1.790	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ncnn2CCF)C1	ZINC001020715403	771290681	/nfs/dbraw/zinc/29/06/81/771290681.db2.gz	HNFRYZCQKXOCJQ-JKQORVJESA-N	1	0	365.453	1.356	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3cccnc3)C2)C1=O	ZINC001022750884	782928113	/nfs/dbraw/zinc/92/81/13/782928113.db2.gz	GOAYVUVTPQITRM-IGKNDFSCSA-N	1	0	354.454	1.209	20	30		FDEDRO
COC(=O)[C@H]1COCCC12CN(c1ncc3c(c1C#N)CCC[NH2+]C3)C2	ZINC001167163962	771650273	/nfs/dbraw/zinc/65/02/73/771650273.db2.gz	ZEWSFEBLBRYUPK-MRXNPFEDSA-N	1	0	356.426	1.005	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](OCCOC)C2)c(OC)c1	ZINC000275472166	771833091	/nfs/dbraw/zinc/83/30/91/771833091.db2.gz	CUOJNOQRLBFTHJ-ROUUACIJSA-N	1	0	365.470	1.901	20	30		FDEDRO
CC(C)[C@H](C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)N1CCCC1=O	ZINC000328665130	771945928	/nfs/dbraw/zinc/94/59/28/771945928.db2.gz	BZRCXWFSTZIPLI-LJQANCHMSA-N	1	0	373.501	1.937	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1C[C@H]1C1CC1)C2	ZINC001112481770	771967630	/nfs/dbraw/zinc/96/76/30/771967630.db2.gz	SPBBHSMYSSHATI-NTLWEQJWSA-N	1	0	359.514	1.943	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CC(C)(C)C[NH+](C)C)c1	ZINC000890885883	772028434	/nfs/dbraw/zinc/02/84/34/772028434.db2.gz	KAZNYGFDHIQZAE-UHFFFAOYSA-N	1	0	365.499	1.258	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)c4cc(C)no4)[C@@H]3C2)CC1	ZINC001021064499	772067616	/nfs/dbraw/zinc/06/76/16/772067616.db2.gz	NDEFLZGLYZNUJA-DLBZAZTESA-N	1	0	370.453	1.001	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CC3(CCC3)C1)C2	ZINC001112512674	782985183	/nfs/dbraw/zinc/98/51/83/782985183.db2.gz	NRPFGTMJLWWMRY-ZJBJCVSYSA-N	1	0	371.525	1.923	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1	ZINC000972245290	783008539	/nfs/dbraw/zinc/00/85/39/783008539.db2.gz	BXIRJBGCHNYKSK-NTDBWNAOSA-N	1	0	361.486	1.123	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCC)C1)OCC	ZINC001104255385	772433189	/nfs/dbraw/zinc/43/31/89/772433189.db2.gz	NKIIRAYSQXLOFU-KURKYZTESA-N	1	0	367.534	1.958	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C1)OCC	ZINC001104255395	772433258	/nfs/dbraw/zinc/43/32/58/772433258.db2.gz	OKVHFIKUFVDPNM-KURKYZTESA-N	1	0	356.507	1.441	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(=O)C(C)C)C[C@H]1C	ZINC001104257918	772458030	/nfs/dbraw/zinc/45/80/30/772458030.db2.gz	JCWZTVSXQPGZMH-IAGOWNOFSA-N	1	0	353.507	1.378	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1nc(C)c3cccnc31)C2	ZINC001112484375	772647982	/nfs/dbraw/zinc/64/79/82/772647982.db2.gz	MOYVFJNLLUQEES-UWJYYQICSA-N	1	0	365.481	1.981	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC1CC1	ZINC001021260503	772672999	/nfs/dbraw/zinc/67/29/99/772672999.db2.gz	UFOPYKVPFLXPTC-FVAVCCDCSA-N	1	0	361.486	1.358	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1	ZINC001211549158	783039511	/nfs/dbraw/zinc/03/95/11/783039511.db2.gz	CRDMWSDVVMFPII-CWRNSKLLSA-N	1	0	358.442	1.120	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2c(C3CC3)cnn2C)C[C@H]1C	ZINC001104281032	772761497	/nfs/dbraw/zinc/76/14/97/772761497.db2.gz	ANIXPTYQSRFXLN-NVXWUHKLSA-N	1	0	358.486	1.635	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCNS(C)(=O)=O)C1	ZINC001211549369	783044926	/nfs/dbraw/zinc/04/49/26/783044926.db2.gz	GMDAMJMTVJYYAS-DLBZAZTESA-N	1	0	365.499	1.086	20	30		FDEDRO
COC(=O)[C@H]1CN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC[N@H+](C)C1	ZINC000413503392	783048702	/nfs/dbraw/zinc/04/87/02/783048702.db2.gz	RYWNWYLZVNIUJT-CYBMUJFWSA-N	1	0	369.381	1.556	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C[C@@H]2CC[NH2+]C2)c1	ZINC000588528277	783058004	/nfs/dbraw/zinc/05/80/04/783058004.db2.gz	BDNQSLDQNJVVDO-BPHPCYGNSA-N	1	0	364.471	1.438	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCc2ccnn2C)C1	ZINC000970559959	772960152	/nfs/dbraw/zinc/96/01/52/772960152.db2.gz	HHENQHWFKWIRME-MNEFBYGVSA-N	1	0	360.502	1.770	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccnn1C	ZINC001021384964	773121511	/nfs/dbraw/zinc/12/15/11/773121511.db2.gz	IOHHUCHUFJXJPH-ROUSISIUSA-N	1	0	358.486	1.665	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1cnn(C)c1	ZINC001021385435	773122621	/nfs/dbraw/zinc/12/26/21/773122621.db2.gz	WRJWAWUDMFWFGU-TZOQOTQKSA-N	1	0	358.486	1.665	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1cn(CC)nn1	ZINC001021387100	773127711	/nfs/dbraw/zinc/12/77/11/773127711.db2.gz	YUPSATAYOFHXNC-JQWQUYJUSA-N	1	0	359.474	1.501	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cccn1	ZINC001021407588	773219998	/nfs/dbraw/zinc/21/99/98/773219998.db2.gz	QWTUUGYYYIUWML-JEQQUTEPSA-N	1	0	358.486	1.976	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC#C[C@@H]2CCCCO2)CC1=O	ZINC000891126067	773335616	/nfs/dbraw/zinc/33/56/16/773335616.db2.gz	FMIFZZNHZUVHGI-KURKYZTESA-N	1	0	361.486	1.008	20	30		FDEDRO
C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)Cn2cc(C3CC3)nn2)C[C@H]1C	ZINC001104289757	773650192	/nfs/dbraw/zinc/65/01/92/773650192.db2.gz	UDKDEUSPENTOLP-IUODEOHRSA-N	1	0	351.882	1.982	20	30		FDEDRO
C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000275769999	773715730	/nfs/dbraw/zinc/71/57/30/773715730.db2.gz	DHCYQOFUWMLQJF-AWEZNQCLSA-N	1	0	354.454	1.636	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(F)c(F)c2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104292269	773855836	/nfs/dbraw/zinc/85/58/36/773855836.db2.gz	RSDSBDRDIQDQSA-TZMCWYRMSA-N	1	0	364.396	1.292	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn(C)nc1[C@H]1CCOC1)C2	ZINC001112494373	773936296	/nfs/dbraw/zinc/93/62/96/773936296.db2.gz	QZBWIHWUJUDFBY-FIKGOQFSSA-N	1	0	370.497	1.779	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cnc3n[nH]nc3c2)C[C@H]1C	ZINC001104297117	774034297	/nfs/dbraw/zinc/03/42/97/774034297.db2.gz	AMQRVNPJCCIQHV-ZIAGYGMSSA-N	1	0	358.446	1.243	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cccc(CC)n2)C[C@H]1C	ZINC001104297156	774034981	/nfs/dbraw/zinc/03/49/81/774034981.db2.gz	CSHAMFDIECOGIG-HZPDHXFCSA-N	1	0	356.470	1.081	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cc(C)n[nH]2)C1=O	ZINC001087128241	774363664	/nfs/dbraw/zinc/36/36/64/774363664.db2.gz	GENDTXYEIONYKQ-VNQPRFMTSA-N	1	0	359.474	1.335	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cncs2)C1=O	ZINC001087129279	774380164	/nfs/dbraw/zinc/38/01/64/774380164.db2.gz	QQMUFVWNQWMBRI-ILXRZTDVSA-N	1	0	362.499	1.760	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCCC)C1	ZINC001104305929	774432757	/nfs/dbraw/zinc/43/27/57/774432757.db2.gz	ADSWDOISWOUCAA-AQNXPRMDSA-N	1	0	363.546	1.975	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCc2cnn(C)c2)C1	ZINC001104306170	774436165	/nfs/dbraw/zinc/43/61/65/774436165.db2.gz	OSLYPWDSGAVPCG-RLLQIKCJSA-N	1	0	371.529	1.134	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccns2)C1	ZINC001104306320	774443160	/nfs/dbraw/zinc/44/31/60/774443160.db2.gz	XRHRTWYTPQOBKS-NUJGCVRESA-N	1	0	360.527	1.815	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(=O)NCCC)CC1	ZINC001167422456	774563779	/nfs/dbraw/zinc/56/37/79/774563779.db2.gz	QXBHZSASZRWANL-WMZOPIPTSA-N	1	0	365.518	1.760	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1(C[NH2+][C@H](C)C(=O)N(C)C)CC1	ZINC001167435233	774841949	/nfs/dbraw/zinc/84/19/49/774841949.db2.gz	OHRQZTWYUSGJGY-PMPSAXMXSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cnc3[nH]ccc3c2)C[C@H]1C	ZINC001104322691	774949887	/nfs/dbraw/zinc/94/98/87/774949887.db2.gz	YAMZPTBLJIDSLC-GDBMZVCRSA-N	1	0	369.469	1.505	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cn(C)c(C)cc2=O)C[C@H]1C	ZINC001104324095	774982019	/nfs/dbraw/zinc/98/20/19/774982019.db2.gz	ORWFAOQGEZZLCV-NVXWUHKLSA-N	1	0	361.486	1.584	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1	ZINC000892275429	783230231	/nfs/dbraw/zinc/23/02/31/783230231.db2.gz	ZUBOWEKSGPYWKH-QGZVFWFLSA-N	1	0	357.433	1.814	20	30		FDEDRO
CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cc(C#N)c[nH]2)C1=O	ZINC001087143748	775205157	/nfs/dbraw/zinc/20/51/57/775205157.db2.gz	MCXUTECIZPFXNS-KBMXLJTQSA-N	1	0	357.458	1.337	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2nc(C)sc2C)C[C@H]1C	ZINC001104342093	775895450	/nfs/dbraw/zinc/89/54/50/775895450.db2.gz	BOFVKWDFTBRCCF-IUODEOHRSA-N	1	0	362.499	1.197	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1	ZINC000276104957	775898819	/nfs/dbraw/zinc/89/88/19/775898819.db2.gz	WXFDTDSBQPITDC-KRWDZBQOSA-N	1	0	355.438	1.724	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2nc(C)sc2C)C[C@H]1C	ZINC001104342540	775917420	/nfs/dbraw/zinc/91/74/20/775917420.db2.gz	VBTBQQADBXBTED-IUODEOHRSA-N	1	0	364.515	1.750	20	30		FDEDRO
CCn1nnc(C)c1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC001087151957	776032181	/nfs/dbraw/zinc/03/21/81/776032181.db2.gz	SYHHJFKTFYQSFJ-DYVFJYSZSA-N	1	0	369.473	1.837	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@@H](C)SC)C[C@H]32)CC1	ZINC001021884528	776499489	/nfs/dbraw/zinc/49/94/89/776499489.db2.gz	ZLNLCPOLJWLUKL-HYVNUMGLSA-N	1	0	363.527	1.142	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4CC45CCC5)C[C@H]32)CC1	ZINC001021886635	776501571	/nfs/dbraw/zinc/50/15/71/776501571.db2.gz	JUAIBUUXNMHPHE-GBESFXJTSA-N	1	0	369.509	1.581	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@H]4CC45CC5)C[C@H]32)CC1	ZINC001021886601	776501731	/nfs/dbraw/zinc/50/17/31/776501731.db2.gz	HVTDMYBVLCRHPQ-RCCFBDPRSA-N	1	0	355.482	1.191	20	30		FDEDRO
C=CCn1cc(C(=O)N2CCO[C@@H]3CN(Cc4ccsc4)C[C@@H]32)nn1	ZINC001083217818	776593706	/nfs/dbraw/zinc/59/37/06/776593706.db2.gz	PHAPVZFIFRTFBP-JKSUJKDBSA-N	1	0	359.455	1.251	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4cccc(OC)c43)[C@H]2C1	ZINC001083217935	776602016	/nfs/dbraw/zinc/60/20/16/776602016.db2.gz	UZPAGECUDKQKER-JENIJYKNSA-N	1	0	354.450	1.660	20	30		FDEDRO
Cc1c[nH]c(C(=O)N2CCO[C@@H]3CN(Cc4ccc(C#N)cc4)C[C@@H]32)n1	ZINC001083218805	776983719	/nfs/dbraw/zinc/98/37/19/776983719.db2.gz	LKFZJSCRSYEPFN-DLBZAZTESA-N	1	0	351.410	1.315	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)c2cccc(C)c2)C[C@H]1C	ZINC001104736365	790501193	/nfs/dbraw/zinc/50/11/93/790501193.db2.gz	VUFWHDDJURARFO-QWFCFKBJSA-N	1	0	369.509	1.922	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)c2cnc3ccccn3c2=O)C[C@H]1C	ZINC001104358843	777083875	/nfs/dbraw/zinc/08/38/75/777083875.db2.gz	TVENCMCBXWBLFO-HZPDHXFCSA-N	1	0	354.454	1.958	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1	ZINC000178086499	777423349	/nfs/dbraw/zinc/42/33/49/777423349.db2.gz	FIVCGNIUMMZKPW-KRWDZBQOSA-N	1	0	373.432	1.145	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@]2(C(=O)OC)C[C@@H]2c2ccccc2)CC1	ZINC000933352369	777500551	/nfs/dbraw/zinc/50/05/51/777500551.db2.gz	APBRMOWFGFPSHV-NQIIRXRSSA-N	1	0	354.450	1.937	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1	ZINC000276521167	777896040	/nfs/dbraw/zinc/89/60/40/777896040.db2.gz	YXARTZFSSBOVKP-UHFFFAOYSA-N	1	0	360.414	1.129	20	30		FDEDRO
CC#CCN1C[C@H]2OCCN(C(=O)Cc3noc4ccc(F)cc34)[C@H]2C1	ZINC001083221442	777910598	/nfs/dbraw/zinc/91/05/98/777910598.db2.gz	BXQZRDZAEOVZPE-FUHWJXTLSA-N	1	0	357.385	1.444	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(C(C)(C)C)C2=O)C1	ZINC001022099900	777918816	/nfs/dbraw/zinc/91/88/16/777918816.db2.gz	UGKBHWVNVHMUMQ-ALYAQQCSSA-N	1	0	363.502	1.604	20	30		FDEDRO
CCC(CC)[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104368899	778044731	/nfs/dbraw/zinc/04/47/31/778044731.db2.gz	ONPBKGNSXVIYGK-HLLBOEOZSA-N	1	0	350.507	1.773	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C4CC=CC4)[C@@H]3C2)CC1	ZINC000971633406	778066395	/nfs/dbraw/zinc/06/63/95/778066395.db2.gz	HVIBSVDFGUZDTF-RTBURBONSA-N	1	0	355.482	1.357	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ncccc2CC)C[C@H]1C	ZINC001104370807	778238219	/nfs/dbraw/zinc/23/82/19/778238219.db2.gz	FIVCBTSADARCIG-NVXWUHKLSA-N	1	0	356.470	1.081	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccncc2CC)C[C@H]1C	ZINC001104372317	778271098	/nfs/dbraw/zinc/27/10/98/778271098.db2.gz	XTMQBHWAGADBED-NVXWUHKLSA-N	1	0	358.486	1.634	20	30		FDEDRO
C=C(CN1C(=O)N[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1=O)C(=O)OCC	ZINC000276589873	778301604	/nfs/dbraw/zinc/30/16/04/778301604.db2.gz	JLPQDVRJNJXDFZ-LJQANCHMSA-N	1	0	357.410	1.302	20	30		FDEDRO
C=CC[C@H](NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccncc1	ZINC000891563210	778340403	/nfs/dbraw/zinc/34/04/03/778340403.db2.gz	AZQJMBNMYZVBSR-NXOAAHMSSA-N	1	0	371.441	1.275	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(C)cc(C)n2)C[C@H]1C	ZINC001104374662	778566125	/nfs/dbraw/zinc/56/61/25/778566125.db2.gz	ZRRXWTZDPGLZQS-NVXWUHKLSA-N	1	0	356.470	1.136	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)COC2CCCCC2)C[C@H]1C	ZINC001104374186	778570428	/nfs/dbraw/zinc/57/04/28/778570428.db2.gz	NDZUKOJDACDHHI-IAGOWNOFSA-N	1	0	365.518	1.712	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1c1ccccc1	ZINC001211520272	778589125	/nfs/dbraw/zinc/58/91/25/778589125.db2.gz	AVBCUTPQNGCQDX-ZWKOTPCHSA-N	1	0	358.438	1.661	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1CC[NH2+]CC#Cc1ccccc1	ZINC001104375535	778604415	/nfs/dbraw/zinc/60/44/15/778604415.db2.gz	RBTYXFCQAWEABU-MISYRCLQSA-N	1	0	367.493	1.639	20	30		FDEDRO
C[C@@H]1CCN(C(=O)Cn2ncnn2)[C@H](C[NH2+]Cc2cc(C#N)ccc2F)C1	ZINC001087167011	778642181	/nfs/dbraw/zinc/64/21/81/778642181.db2.gz	ODEMKHGWXYLZBC-CJNGLKHVSA-N	1	0	371.420	1.101	20	30		FDEDRO
COc1ccc(CNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1C#N	ZINC000891702440	779119369	/nfs/dbraw/zinc/11/93/69/779119369.db2.gz	VSRRAENIWKHDNP-INIZCTEOSA-N	1	0	358.442	1.525	20	30		FDEDRO
COc1ccc(CNC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1C#N	ZINC000891702779	779120210	/nfs/dbraw/zinc/12/02/10/779120210.db2.gz	ZFIJSGXANWIXOC-STQMWFEESA-N	1	0	356.348	1.845	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@@H]2CCC(=O)NC2=O)CCCCC1	ZINC001111483923	779232323	/nfs/dbraw/zinc/23/23/23/779232323.db2.gz	PTTBOPFELHJGLY-WCXIOVBPSA-N	1	0	371.481	1.487	20	30		FDEDRO
C[C@@H](NC(=O)C1CCCC1)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000328958824	779547853	/nfs/dbraw/zinc/54/78/53/779547853.db2.gz	OQNZIJCXPGFPOZ-OAHLLOKOSA-N	1	0	364.490	1.288	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCS(C)(=O)=O)C1	ZINC001112507984	779996541	/nfs/dbraw/zinc/99/65/41/779996541.db2.gz	HYECPBPRKVSAOP-YJBOKZPZSA-N	1	0	356.532	1.852	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cccn3nccc23)C[C@H]1C	ZINC001104385420	780122558	/nfs/dbraw/zinc/12/25/58/780122558.db2.gz	VEDRUAVEMZOSKA-IAGOWNOFSA-N	1	0	354.454	1.672	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@@H](O)COC)C1	ZINC001112509153	781039053	/nfs/dbraw/zinc/03/90/53/781039053.db2.gz	LXDIMMGNUTXBQE-NSHGMRRFSA-N	1	0	350.503	1.796	20	30		FDEDRO
CN(CCc1cccc(C#N)c1)C(=O)NC1CCC(N2CC[NH2+]CC2)CC1	ZINC000892132853	781702672	/nfs/dbraw/zinc/70/26/72/781702672.db2.gz	XFNSXYGDMGOHKQ-UHFFFAOYSA-N	1	0	369.513	1.959	20	30		FDEDRO
CCCNc1ccc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)cc1	ZINC000277402056	781729326	/nfs/dbraw/zinc/72/93/26/781729326.db2.gz	CXKFJBZTBCUPJL-UHFFFAOYSA-N	1	0	353.474	1.935	20	30		FDEDRO
COC(=O)[C@]1(NC(=O)c2ccc(C#N)[nH]2)CCC[N@H+](Cc2ccccc2)C1	ZINC000121744433	781729859	/nfs/dbraw/zinc/72/98/59/781729859.db2.gz	HXRZWGBXCNJHRT-FQEVSTJZSA-N	1	0	366.421	1.824	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1c1ccccc1	ZINC001211537947	781777683	/nfs/dbraw/zinc/77/76/83/781777683.db2.gz	JQBIMDWSVKYNMZ-FHLIZLRMSA-N	1	0	367.453	1.298	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2nnc3ccccc3n2)C[C@H]1C	ZINC001104424599	783312881	/nfs/dbraw/zinc/31/28/81/783312881.db2.gz	NCVPHKQFYINSAW-HZPDHXFCSA-N	1	0	367.453	1.362	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](N(C)CC(=O)N2CCCCCC2)C1	ZINC000972374289	783521891	/nfs/dbraw/zinc/52/18/91/783521891.db2.gz	QMDJFQCZCJGUCA-KURKYZTESA-N	1	0	363.502	1.513	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCn2cc(Cl)cn2)C1	ZINC000972375994	783547617	/nfs/dbraw/zinc/54/76/17/783547617.db2.gz	VEGKBAGQWLUOJX-XHSDSOJGSA-N	1	0	352.866	1.660	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)cn2C)C[C@H]1c1ccccc1	ZINC001211629182	783685040	/nfs/dbraw/zinc/68/50/40/783685040.db2.gz	BUWBIRPYUHPXTD-ZWKOTPCHSA-N	1	0	366.465	1.898	20	30		FDEDRO
C=CCn1c([C@@H]2CCO[C@H]2C)nnc1N1CC[NH+](C2CCOCC2)CC1	ZINC000647370829	783727102	/nfs/dbraw/zinc/72/71/02/783727102.db2.gz	DBPDDALXRQSVAD-DOTOQJQBSA-N	1	0	361.490	1.658	20	30		FDEDRO
C=CCn1c([C@H]2CCO[C@@H]2C)nnc1N1CC[NH+](C(C)(C)COC)CC1	ZINC000647375953	783779496	/nfs/dbraw/zinc/77/94/96/783779496.db2.gz	JPROTHIJCVXPBC-CVEARBPZSA-N	1	0	363.506	1.904	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3ccsc3)C[C@H]21	ZINC000972835070	783902536	/nfs/dbraw/zinc/90/25/36/783902536.db2.gz	MOBIAASOZRHGRZ-FGTMMUONSA-N	1	0	371.506	1.448	20	30		FDEDRO
NC(=O)C1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC#Cc3ccccc3)C2)CC1	ZINC001112520009	783937617	/nfs/dbraw/zinc/93/76/17/783937617.db2.gz	KPDRSGNPNXRKKT-RXVVDRJESA-N	1	0	365.477	1.522	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C(N)=O)CC1)C2	ZINC001112519962	783939915	/nfs/dbraw/zinc/93/99/15/783939915.db2.gz	HWOYVBHNEKVOPG-WFASDCNBSA-N	1	0	370.291	1.379	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)cc1	ZINC001024158597	784039572	/nfs/dbraw/zinc/03/95/72/784039572.db2.gz	WZFOEXOMBHTRRB-QRVBRYPASA-N	1	0	368.481	1.788	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2nc(CCC)no2)C1	ZINC001024164359	784152973	/nfs/dbraw/zinc/15/29/73/784152973.db2.gz	ARQLOCRCCCIEMZ-XHSDSOJGSA-N	1	0	362.474	1.941	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2nn(CC)nc2C)C1	ZINC001024164424	784153791	/nfs/dbraw/zinc/15/37/91/784153791.db2.gz	BZUZLHIDYOCZLE-NUJGCVRESA-N	1	0	361.490	1.526	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2cc(OC)no2)C1	ZINC001024196650	784308277	/nfs/dbraw/zinc/30/82/77/784308277.db2.gz	ZRKOPBMIPPMFQB-ZVZYQTTQSA-N	1	0	363.458	1.993	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCNS(C)(=O)=O)C1	ZINC001112520934	784446218	/nfs/dbraw/zinc/44/62/18/784446218.db2.gz	FWOCCOPUBQFXNS-RDJZCZTQSA-N	1	0	357.520	1.110	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH+]1CCC([C@H]2CCCCCN2C(=O)COC)CC1	ZINC000375812611	784996310	/nfs/dbraw/zinc/99/63/10/784996310.db2.gz	RELONASTLNTZOI-SJLPKXTDSA-N	1	0	365.518	1.807	20	30		FDEDRO
CC1(C)C[NH2+]CC[C@H](NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1	ZINC000892479289	785051664	/nfs/dbraw/zinc/05/16/64/785051664.db2.gz	XJYMRDWGCDPMSK-HNNXBMFYSA-N	1	0	356.474	1.563	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C[N@@H+]1C1CC1	ZINC000364518536	785080213	/nfs/dbraw/zinc/08/02/13/785080213.db2.gz	PZYKUQPFUYYSJL-BJZITVGISA-N	1	0	366.465	1.791	20	30		FDEDRO
CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000892482723	785130121	/nfs/dbraw/zinc/13/01/21/785130121.db2.gz	HHOUNYHMIWJWRU-HZPDHXFCSA-N	1	0	357.458	1.894	20	30		FDEDRO
CC1(C)C[NH2+]CC[C@H](NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000892482722	785130391	/nfs/dbraw/zinc/13/03/91/785130391.db2.gz	HHOUNYHMIWJWRU-HOTGVXAUSA-N	1	0	357.458	1.894	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CCC)C2)cc1	ZINC000658778175	785161768	/nfs/dbraw/zinc/16/17/68/785161768.db2.gz	LBSUFHAQEDXVJL-MRXNPFEDSA-N	1	0	358.442	1.141	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1C#N	ZINC000364751677	785174518	/nfs/dbraw/zinc/17/45/18/785174518.db2.gz	APKVTOKMCNIACW-HNNXBMFYSA-N	1	0	369.469	1.090	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3ccc(C(F)(F)F)n3)[C@H]2C1	ZINC001083267465	785196912	/nfs/dbraw/zinc/19/69/12/785196912.db2.gz	COAWWGSHGZPUJQ-QWHCGFSZSA-N	1	0	358.364	1.390	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[NH+]2CCC1CC2	ZINC000364939660	785238472	/nfs/dbraw/zinc/23/84/72/785238472.db2.gz	YPOFHRVWWJRGJJ-UHFFFAOYSA-N	1	0	352.442	1.457	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1	ZINC000892494814	785278922	/nfs/dbraw/zinc/27/89/22/785278922.db2.gz	ISWONYMMZYPJTC-CABCVRRESA-N	1	0	371.489	1.347	20	30		FDEDRO
N#Cc1cncc(S(=O)(=O)N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1	ZINC000290179555	785488660	/nfs/dbraw/zinc/48/86/60/785488660.db2.gz	QPFVWQIKPZQLKD-HDICACEKSA-N	1	0	368.462	1.706	20	30		FDEDRO
C=C(C)COCCNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1CCCCC1	ZINC000685786443	785492485	/nfs/dbraw/zinc/49/24/85/785492485.db2.gz	MYUYVAWOFRQJOD-KRWDZBQOSA-N	1	0	362.474	1.726	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1C#N	ZINC001024652137	785624761	/nfs/dbraw/zinc/62/47/61/785624761.db2.gz	HYADOOJYFWUFFA-GBESFXJTSA-N	1	0	368.481	1.753	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCC)C2)C[C@H]1c1ccccc1	ZINC001211682170	805657690	/nfs/dbraw/zinc/65/76/90/805657690.db2.gz	NCOXJOBLYWDFCF-SLFFLAALSA-N	1	0	367.493	1.852	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)Cn2nccc2C)C[C@H]1c1ccccc1	ZINC001211682261	805666805	/nfs/dbraw/zinc/66/68/05/805666805.db2.gz	RMJDMNYMDZLSOP-VQTJNVASSA-N	1	0	366.465	1.426	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)NCCCC[NH+]1CCN(CCO)CC1	ZINC000431722101	786599805	/nfs/dbraw/zinc/59/98/05/786599805.db2.gz	GKHMYLBTWMFAOC-UHFFFAOYSA-N	1	0	359.474	1.378	20	30		FDEDRO
COc1ccc([C@@H]2[C@H](CNC(=O)NCC(=O)NCC#N)CCC[N@@H+]2C)cc1	ZINC000376316496	787254571	/nfs/dbraw/zinc/25/45/71/787254571.db2.gz	MDVMXADGCWUXQF-MAUKXSAKSA-N	1	0	373.457	1.017	20	30		FDEDRO
C#CC[C@H](C)NC(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000376374369	787493088	/nfs/dbraw/zinc/49/30/88/787493088.db2.gz	FGBBADDIICKJHP-AZUAARDMSA-N	1	0	354.498	2.000	20	30		FDEDRO
CC[NH+](CC)C[C@H]1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1	ZINC000246097469	805799859	/nfs/dbraw/zinc/79/98/59/805799859.db2.gz	OJEXDYQUXOUTNR-RTBURBONSA-N	1	0	363.550	1.342	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cnc(C)nc3)C[C@H]21	ZINC000978829952	805804494	/nfs/dbraw/zinc/80/44/94/805804494.db2.gz	JTAITBYKEXMFHT-FSGKZVOOSA-N	1	0	370.497	1.950	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21	ZINC000249154176	787638899	/nfs/dbraw/zinc/63/88/99/787638899.db2.gz	HXVWUZMKHUMCKS-WMLDXEAASA-N	1	0	373.428	1.719	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1	ZINC000978840556	805808721	/nfs/dbraw/zinc/80/87/21/805808721.db2.gz	PHFKCLPQPQXISR-JCECYMMASA-N	1	0	363.502	1.320	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](C)CS(C)(=O)=O)C1	ZINC001104553954	787768487	/nfs/dbraw/zinc/76/84/87/787768487.db2.gz	KAZHTWDVLFSWMP-KZNAEPCWSA-N	1	0	370.559	1.935	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C4=COCCO4)[C@@H]3C2)cc1	ZINC001075515911	787936309	/nfs/dbraw/zinc/93/63/09/787936309.db2.gz	JBFJZRWHNCJULG-FUHWJXTLSA-N	1	0	369.421	1.510	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cnnn1CC	ZINC001025112162	787976383	/nfs/dbraw/zinc/97/63/83/787976383.db2.gz	VIEQNVWGPWVVSB-NJAFHUGGSA-N	1	0	361.490	1.750	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccn(CC)c2C)C[C@H]1C	ZINC001104569138	788035622	/nfs/dbraw/zinc/03/56/22/788035622.db2.gz	LLBKUALOWADEIG-NVXWUHKLSA-N	1	0	360.502	1.806	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](CNC(=O)NCCn2cnc(C#N)n2)[C@@H]1c1cccs1	ZINC000376511906	788139922	/nfs/dbraw/zinc/13/99/22/788139922.db2.gz	PHYKNSUQQUKZRB-XJKSGUPXSA-N	1	0	373.486	1.594	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)Cn2cncc2C)C1	ZINC000978868210	805856077	/nfs/dbraw/zinc/85/60/77/805856077.db2.gz	ZXOHHVWMSZOWEY-TWMKSMIVSA-N	1	0	360.458	1.184	20	30		FDEDRO
C=CCCNC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1	ZINC000658386454	805871811	/nfs/dbraw/zinc/87/18/11/805871811.db2.gz	NLNMBEKHLDBMIR-UHFFFAOYSA-N	1	0	358.442	1.015	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CNC(=O)c2ccccn2)C1	ZINC001111999625	788527766	/nfs/dbraw/zinc/52/77/66/788527766.db2.gz	SSZDLURIMKNPFC-JXFKEZNVSA-N	1	0	356.470	1.748	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)CC1	ZINC000973337419	788659145	/nfs/dbraw/zinc/65/91/45/788659145.db2.gz	ZLAPRWZMABHJAE-QQXMDYFESA-N	1	0	369.509	1.697	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)c1	ZINC000973334322	788682571	/nfs/dbraw/zinc/68/25/71/788682571.db2.gz	CGZHIZSQZUDCFG-XLAORIBOSA-N	1	0	354.454	1.170	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3CC(C)C)C2)CC1	ZINC000973365917	788780462	/nfs/dbraw/zinc/78/04/62/788780462.db2.gz	STWOXSAIBITNPA-NCXUSEDFSA-N	1	0	359.514	1.777	20	30		FDEDRO
Cc1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)ccc1F	ZINC001104608870	788879138	/nfs/dbraw/zinc/87/91/38/788879138.db2.gz	QPQPLDCJBMKJAP-GDBMZVCRSA-N	1	0	360.433	1.462	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NC)C2)CC1	ZINC001104631357	789058315	/nfs/dbraw/zinc/05/83/15/789058315.db2.gz	KDEPROJCDVQZDX-HUUCEWRRSA-N	1	0	364.490	1.263	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2occc2Cl)C[C@H]1C	ZINC001104641178	789114173	/nfs/dbraw/zinc/11/41/73/789114173.db2.gz	DGGKKTXAGNFLBU-CHWSQXEVSA-N	1	0	353.850	1.923	20	30		FDEDRO
COC[C@@H](OC)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccc(C#N)c2)C1	ZINC001104648483	789163019	/nfs/dbraw/zinc/16/30/19/789163019.db2.gz	NZEMMKCITUCQFV-ATZDWAIDSA-N	1	0	359.470	1.794	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccn(C)c2C)C[C@H]1C	ZINC001104651010	789172718	/nfs/dbraw/zinc/17/27/18/789172718.db2.gz	RTLJKURYGFVMJQ-HLLBOEOZSA-N	1	0	360.502	1.712	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ocnc2CC)C[C@H]1C	ZINC001104659906	789210465	/nfs/dbraw/zinc/21/04/65/789210465.db2.gz	ZNHKNGJCKFLDLB-RBSFLKMASA-N	1	0	362.474	1.616	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2conc2C2CC2)C[C@H]1C	ZINC001104665222	789232577	/nfs/dbraw/zinc/23/25/77/789232577.db2.gz	QWWLVUMLMYCQCD-UKRRQHHQSA-N	1	0	360.458	1.542	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC#N)C1	ZINC001211647100	789320210	/nfs/dbraw/zinc/32/02/10/789320210.db2.gz	SJKTVBOAZZSOQP-DLBZAZTESA-N	1	0	354.454	1.423	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1	ZINC000472726453	791520405	/nfs/dbraw/zinc/52/04/05/791520405.db2.gz	UNIRDMBVNFWOAJ-UHFFFAOYSA-N	1	0	365.365	1.366	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@@H]2CC23CCN(c2ccc(C#N)cn2)CC3)CC[N@@H+]1C	ZINC001058655670	791693979	/nfs/dbraw/zinc/69/39/79/791693979.db2.gz	GNUXISATWTVGPG-DJIMGWMZSA-N	1	0	353.470	1.769	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3ccc(C[NH3+])cc3)C2)nc1	ZINC000415267939	791791906	/nfs/dbraw/zinc/79/19/06/791791906.db2.gz	NFVPVLIXEXJHAC-MRXNPFEDSA-N	1	0	365.393	1.030	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000377526881	792123012	/nfs/dbraw/zinc/12/30/12/792123012.db2.gz	HHRFDCMZALDHEZ-HZPDHXFCSA-N	1	0	366.506	1.304	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N(CCC)[C@@H]2CC[NH2+]C2)cc1	ZINC000415406963	792211428	/nfs/dbraw/zinc/21/14/28/792211428.db2.gz	PXWRMXIIFMZNDM-MRXNPFEDSA-N	1	0	373.457	1.533	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCC[C@H](CC[NH3+])C2)n1	ZINC000415432813	792242920	/nfs/dbraw/zinc/24/29/20/792242920.db2.gz	GHSVYMVCKJFMHD-CYBMUJFWSA-N	1	0	356.405	2.476	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)cc1	ZINC000415424993	792244724	/nfs/dbraw/zinc/24/47/24/792244724.db2.gz	JZLCMJQKEVZYAL-HNNXBMFYSA-N	1	0	361.446	1.422	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[N@H+](C)C1CCN(CC(=O)N2CCCC2)CC1	ZINC000377576502	792255719	/nfs/dbraw/zinc/25/57/19/792255719.db2.gz	YGANSTNMTXKRNI-UHFFFAOYSA-N	1	0	364.534	1.430	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1	ZINC000415442640	792276843	/nfs/dbraw/zinc/27/68/43/792276843.db2.gz	BWUREWIDXVURLG-UHFFFAOYSA-N	1	0	356.426	1.496	20	30		FDEDRO
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)c1C	ZINC000415446419	792282596	/nfs/dbraw/zinc/28/25/96/792282596.db2.gz	SYSAYXMSNUNGLL-MRXNPFEDSA-N	1	0	368.441	1.399	20	30		FDEDRO
C[C@H]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)[C@H](C[NH3+])C1	ZINC000415451541	792284810	/nfs/dbraw/zinc/28/48/10/792284810.db2.gz	XKGAZVQYJSAGSH-STQMWFEESA-N	1	0	356.405	2.474	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C	ZINC001019804491	792306694	/nfs/dbraw/zinc/30/66/94/792306694.db2.gz	XTCSDJCCUYKOLZ-TVFCKZIOSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4c(C)noc4C)[C@@H]3C2)C1=O	ZINC001075536221	792340529	/nfs/dbraw/zinc/34/05/29/792340529.db2.gz	SLTCCBZDHXJPDO-ARFHVFGLSA-N	1	0	358.442	1.225	20	30		FDEDRO
CC1(C)C[N@@H+](C2(CNC(=O)N3CCO[C@@H](C#N)C3)CCCCC2)CCO1	ZINC000377630131	792358784	/nfs/dbraw/zinc/35/87/84/792358784.db2.gz	XMENPXVEGRZZEZ-INIZCTEOSA-N	1	0	364.490	1.734	20	30		FDEDRO
C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000415536035	792482914	/nfs/dbraw/zinc/48/29/14/792482914.db2.gz	ZKWUTCQJBRNWKO-WBVHZDCISA-N	1	0	362.433	1.616	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1	ZINC000415591108	792637408	/nfs/dbraw/zinc/63/74/08/792637408.db2.gz	HJSOENKYVOWMNI-LJQANCHMSA-N	1	0	356.426	1.496	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1[NH2+]CCc2ccccc21	ZINC000415701079	792834814	/nfs/dbraw/zinc/83/48/14/792834814.db2.gz	AWBFQYJTTGQXCJ-KRWDZBQOSA-N	1	0	364.405	1.509	20	30		FDEDRO
N#Cc1ccc(NC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1F	ZINC000415729399	792890311	/nfs/dbraw/zinc/89/03/11/792890311.db2.gz	BXVWGXJGIWIMDM-WBVHZDCISA-N	1	0	359.405	1.466	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1Oc1ccccc1	ZINC000415754960	792936991	/nfs/dbraw/zinc/93/69/91/792936991.db2.gz	BMJQGWXAJWIJJC-VQFNDLOPSA-N	1	0	362.389	1.623	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1C#N	ZINC000415772362	792957077	/nfs/dbraw/zinc/95/70/77/792957077.db2.gz	TVGDIOUWBLAJBF-BBRMVZONSA-N	1	0	356.426	1.494	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1	ZINC000415807532	793013276	/nfs/dbraw/zinc/01/32/76/793013276.db2.gz	LEGCPTIVYWUPIF-LSDHHAIUSA-N	1	0	358.442	1.918	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NCCC[NH2+]C2CC2)ccc1OC(F)(F)F	ZINC000415857655	793215907	/nfs/dbraw/zinc/21/59/07/793215907.db2.gz	IIJKBOCZVZSBHF-UHFFFAOYSA-N	1	0	370.331	1.654	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)cc1C(F)(F)F	ZINC000415885253	793270692	/nfs/dbraw/zinc/27/06/92/793270692.db2.gz	FHKWTSBFXYAMCQ-NEPJUHHUSA-N	1	0	366.343	1.583	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCO[C@H]3CC3(F)F)C[C@H]21	ZINC001026096211	793284629	/nfs/dbraw/zinc/28/46/29/793284629.db2.gz	YORMWSLXURMUME-NYXISSTPSA-N	1	0	370.440	1.828	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1	ZINC000415882723	793287650	/nfs/dbraw/zinc/28/76/50/793287650.db2.gz	YCXDXNPSIVENTR-AEFFLSMTSA-N	1	0	370.453	1.550	20	30		FDEDRO
C=CCOc1ccc(CNC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)cc1	ZINC000415957696	793425247	/nfs/dbraw/zinc/42/52/47/793425247.db2.gz	URMMMHFVVHWCKZ-UHFFFAOYSA-N	1	0	368.441	1.773	20	30		FDEDRO
C[NH2+]Cc1ccc(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1	ZINC000415982909	793462650	/nfs/dbraw/zinc/46/26/50/793462650.db2.gz	MIMPDRIFBCJLDG-CQSZACIVSA-N	1	0	365.441	1.810	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3cccnn32)C[C@H]1C	ZINC001104763966	793543652	/nfs/dbraw/zinc/54/36/52/793543652.db2.gz	BPDZZVRPQVBZSX-IAGOWNOFSA-N	1	0	354.454	1.672	20	30		FDEDRO
CCN1C(=O)N=NC1C1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000378135156	793556825	/nfs/dbraw/zinc/55/68/25/793556825.db2.gz	CPLVZFLHKNVLQL-INIZCTEOSA-N	1	0	371.441	1.495	20	30		FDEDRO
[NH3+]CCc1ccn(-c2ccccc2COC(=O)ON2C(=O)CCC2=O)n1	ZINC001167730155	793609086	/nfs/dbraw/zinc/60/90/86/793609086.db2.gz	CQONJTOHJDQQBG-UHFFFAOYSA-N	1	0	358.354	1.091	20	30		FDEDRO
C=CCC[NH2+]CC[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCCC2)C[C@H]1C	ZINC001104787716	793678917	/nfs/dbraw/zinc/67/89/17/793678917.db2.gz	OKCBPLJHLJLXSA-HZPDHXFCSA-N	1	0	356.532	1.994	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](C(=O)NC[C@H]3CCCC[N@H+]3CCO)C2)c(F)c1	ZINC000452382616	793932163	/nfs/dbraw/zinc/93/21/63/793932163.db2.gz	YRUZIFHFUZKLOE-DLBZAZTESA-N	1	0	374.460	1.487	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1CC[NH2+]Cc1ccccc1C#N	ZINC001104846518	794040260	/nfs/dbraw/zinc/04/02/60/794040260.db2.gz	ZDRFPOAYMQCBGS-DNVCBOLYSA-N	1	0	368.481	1.659	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2csc(Cl)n2)C[C@H]1C	ZINC001104875959	794178209	/nfs/dbraw/zinc/17/82/09/794178209.db2.gz	AMPKXGXTLQNLPB-VXGBXAGGSA-N	1	0	370.906	1.787	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1CC[NH2+]CC#Cc1ccccc1	ZINC001104891707	794238801	/nfs/dbraw/zinc/23/88/01/794238801.db2.gz	PUTBOASHDXWCNZ-SJLPKXTDSA-N	1	0	351.454	1.473	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCCN2C(N)=O)C[C@H]1C	ZINC001104895667	794265568	/nfs/dbraw/zinc/26/55/68/794265568.db2.gz	FBSGZXAERGPVEF-BRWVUGGUSA-N	1	0	366.506	1.196	20	30		FDEDRO
CCOCCOCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C1	ZINC001104905376	794325293	/nfs/dbraw/zinc/32/52/93/794325293.db2.gz	GJHCEFQWMOSQFP-RTBURBONSA-N	1	0	368.518	1.544	20	30		FDEDRO
CCc1cc(C)c(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)o1	ZINC001104910894	794366017	/nfs/dbraw/zinc/36/60/17/794366017.db2.gz	SXORKNSFFJLOHV-HUUCEWRRSA-N	1	0	360.458	1.478	20	30		FDEDRO
C[C@@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1)c1ccco1	ZINC001104916914	794367254	/nfs/dbraw/zinc/36/72/54/794367254.db2.gz	KNRZHYKPWPPKDV-ARFHVFGLSA-N	1	0	360.458	1.487	20	30		FDEDRO
CCCNC(=O)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C1	ZINC001104919364	794379295	/nfs/dbraw/zinc/37/92/95/794379295.db2.gz	XQYBFCUTXSKXIQ-IAGOWNOFSA-N	1	0	351.491	1.017	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)c2cccnc2)C[C@H]1C	ZINC001104919762	794383075	/nfs/dbraw/zinc/38/30/75/794383075.db2.gz	AWLVDTNZEUBKDW-SOLBZPMBSA-N	1	0	356.470	1.009	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCc3ccnn3C)C2)nc1	ZINC001104923951	794419915	/nfs/dbraw/zinc/41/99/15/794419915.db2.gz	FLIYYGOVLNLACS-SJLPKXTDSA-N	1	0	365.481	1.727	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC(C)C)C2)nc1	ZINC001104924705	794422672	/nfs/dbraw/zinc/42/26/72/794422672.db2.gz	RHTMOUCGLZHIOB-SJLPKXTDSA-N	1	0	370.497	1.523	20	30		FDEDRO
C[C@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1)n1cccc1	ZINC001104927111	794426845	/nfs/dbraw/zinc/42/68/45/794426845.db2.gz	RTAFMSRXSMESBY-BRWVUGGUSA-N	1	0	359.474	1.153	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccccc2OC)C[C@H]1C	ZINC001104941068	794497543	/nfs/dbraw/zinc/49/75/43/794497543.db2.gz	OGUMDTVSLROJEG-IXDOHACOSA-N	1	0	371.481	1.521	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C)C1	ZINC001104954605	794552579	/nfs/dbraw/zinc/55/25/79/794552579.db2.gz	KADCWACIENWCDT-VQIMIIECSA-N	1	0	355.482	1.373	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(N)=O)C2)CCOCC1	ZINC001104960282	794596432	/nfs/dbraw/zinc/59/64/32/794596432.db2.gz	SILJPDOPCSARAU-BZUAXINKSA-N	1	0	351.491	1.307	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCN(C(C)=O)C2)C[C@H]1C	ZINC001104960563	794597033	/nfs/dbraw/zinc/59/70/33/794597033.db2.gz	YVAUVZVVKYCCGK-KBAYOESNSA-N	1	0	351.491	1.132	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccc(F)cc2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104968674	794627030	/nfs/dbraw/zinc/62/70/30/794627030.db2.gz	QEPGCYACASHGFL-GDBMZVCRSA-N	1	0	360.433	1.082	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc3ccccc3[nH]2)C[C@H]1CC[NH2+]CC(=O)NCC#N	ZINC001104989410	794738576	/nfs/dbraw/zinc/73/85/76/794738576.db2.gz	XQJNEAOLSFHTFY-GDBMZVCRSA-N	1	0	367.453	1.495	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CN(C)c3cnc(C#N)cn3)C2)CC[N@@H+]1C	ZINC001058708114	794739433	/nfs/dbraw/zinc/73/94/33/794739433.db2.gz	BYZUDKGRJSGCFK-HLLBOEOZSA-N	1	0	356.474	1.363	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C	ZINC001104987417	794745148	/nfs/dbraw/zinc/74/51/48/794745148.db2.gz	QXIQTZPPVGIJCQ-OWCLPIDISA-N	1	0	364.490	1.309	20	30		FDEDRO
Cc1cc(C#N)nc(N(C)C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001058708280	794750196	/nfs/dbraw/zinc/75/01/96/794750196.db2.gz	HCIXDTWBFPIYSE-SOLBZPMBSA-N	1	0	370.501	1.672	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2ccccc2C)C[C@H]1C	ZINC001104993820	794774422	/nfs/dbraw/zinc/77/44/22/794774422.db2.gz	DKBIKIYGITZAEG-IEBWSBKVSA-N	1	0	357.498	1.914	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H](CN(C)c3nccnc3C#N)C2)CC[N@@H+]1C	ZINC001058708815	794781727	/nfs/dbraw/zinc/78/17/27/794781727.db2.gz	XKUNLAKWNKVSDS-BZUAXINKSA-N	1	0	356.474	1.363	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3n[nH]nc3c2)C[C@H]1C	ZINC001105000648	794817778	/nfs/dbraw/zinc/81/77/78/794817778.db2.gz	QJMKXQBXMWRIMQ-GDBMZVCRSA-N	1	0	357.458	1.848	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2ccc(C)nc2)C[C@H]1C	ZINC001105017108	794934300	/nfs/dbraw/zinc/93/43/00/794934300.db2.gz	PHHQLFFLLHMJFU-HHXXYDBFSA-N	1	0	370.497	1.145	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1CC[NH2+][C@H]1CCCNC1=O	ZINC001105045287	795046423	/nfs/dbraw/zinc/04/64/23/795046423.db2.gz	QYLYOFLHKVVESJ-RLLQIKCJSA-N	1	0	367.493	1.781	20	30		FDEDRO
C=CC[C@@H](Cc1ccccc1)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1	ZINC001105045140	795053348	/nfs/dbraw/zinc/05/33/48/795053348.db2.gz	OVOJQWSUFDZJSI-NZSAHSFTSA-N	1	0	357.498	1.981	20	30		FDEDRO
CCc1ccsc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001105053266	795072305	/nfs/dbraw/zinc/07/23/05/795072305.db2.gz	DWYKJDJTMPHIME-UKRRQHHQSA-N	1	0	362.499	1.638	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2C2CC2)C1	ZINC001105085257	795198168	/nfs/dbraw/zinc/19/81/68/795198168.db2.gz	IEPJOEPECZPQII-HUUCEWRRSA-N	1	0	362.478	1.175	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(OC)nn2)C1	ZINC001105085352	795202092	/nfs/dbraw/zinc/20/20/92/795202092.db2.gz	MAYCHTLRENBQSV-HZPDHXFCSA-N	1	0	362.474	1.652	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)CC2CC2)C1	ZINC001105085606	795207099	/nfs/dbraw/zinc/20/70/99/795207099.db2.gz	YNPBNBNTWHYMEX-SJLPKXTDSA-N	1	0	365.518	1.522	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCN(CC)C2=O)C1	ZINC001105089882	795232311	/nfs/dbraw/zinc/23/23/11/795232311.db2.gz	AASIKPWURAOWKT-ZACQAIPSSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(CC)CC)C1	ZINC001105090334	795234245	/nfs/dbraw/zinc/23/42/45/795234245.db2.gz	RDQCVWIPWABYJE-BRWVUGGUSA-N	1	0	353.507	1.520	20	30		FDEDRO
C=CCN(CCCN1C(=O)CNC1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000364165162	795313105	/nfs/dbraw/zinc/31/31/05/795313105.db2.gz	RDVAKXAWFVJSPR-SFHVURJKSA-N	1	0	356.470	1.691	20	30		FDEDRO
N#Cc1ccccc1OC1CCC(NC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)CC1	ZINC000417593130	795313401	/nfs/dbraw/zinc/31/34/01/795313401.db2.gz	FPYORCMWPKHECW-ZGRYLRDCSA-N	1	0	358.442	1.128	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccccc2-n2ccnn2)C[C@H]1C	ZINC001105115280	795334358	/nfs/dbraw/zinc/33/43/58/795334358.db2.gz	YVMQBNSECGTCNL-IAGOWNOFSA-N	1	0	351.454	1.978	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cc1	ZINC000365899914	795388975	/nfs/dbraw/zinc/38/89/75/795388975.db2.gz	IASLOUCVOHAHHQ-UHFFFAOYSA-N	1	0	370.453	1.458	20	30		FDEDRO
Cc1onc(CC(=O)Nc2ccc(OC[C@H](O)C[NH+](C)C)cc2)c1C#N	ZINC000500152191	795541367	/nfs/dbraw/zinc/54/13/67/795541367.db2.gz	BKJIPULDKGFGEP-CQSZACIVSA-N	1	0	358.398	1.337	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC([NH2+]Cc2nn(CC)nc2C)CC1	ZINC001026564121	795558255	/nfs/dbraw/zinc/55/82/55/795558255.db2.gz	SKFVRQXTXAUFLY-IOTAOYMUSA-N	1	0	361.490	1.715	20	30		FDEDRO
C=CCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000651515996	795774444	/nfs/dbraw/zinc/77/44/44/795774444.db2.gz	ZOKKCRASLUHQSH-SJORKVTESA-N	1	0	361.490	1.864	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H](C[NH3+])C1CCCCC1	ZINC000418370153	795827534	/nfs/dbraw/zinc/82/75/34/795827534.db2.gz	VJQRHBYDLDNSCY-GDBMZVCRSA-N	1	0	371.489	1.476	20	30		FDEDRO
N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)CC1	ZINC000418390508	795854623	/nfs/dbraw/zinc/85/46/23/795854623.db2.gz	XQIWQGJTDUPHSE-CYBMUJFWSA-N	1	0	370.413	1.390	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H](Nc2cc(C)ncc2C#N)C(C)C)CC[N@@H+]1C	ZINC001105301338	795879691	/nfs/dbraw/zinc/87/96/91/795879691.db2.gz	PWORQACXSFAZNF-YTQUADARSA-N	1	0	357.502	1.967	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2nc3ncccn3n2)C[C@H]1c1ccccc1	ZINC001211693000	806461103	/nfs/dbraw/zinc/46/11/03/806461103.db2.gz	WUMREPUDCMVEIH-DLBZAZTESA-N	1	0	360.421	1.345	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2	ZINC001111494529	795961290	/nfs/dbraw/zinc/96/12/90/795961290.db2.gz	VDKGSZUJABAVEJ-KURKYZTESA-N	1	0	362.518	1.276	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)nn1	ZINC001105331468	796196415	/nfs/dbraw/zinc/19/64/15/796196415.db2.gz	APWRSRZRDLJASN-PILAGYSTSA-N	1	0	359.474	1.673	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1	ZINC000979856708	806565726	/nfs/dbraw/zinc/56/57/26/806565726.db2.gz	LJHGIARGKZCEHJ-WSRJKRBPSA-N	1	0	363.502	1.320	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)[C@@H]2C1	ZINC000974571003	799842178	/nfs/dbraw/zinc/84/21/78/799842178.db2.gz	XUMGJXSZMQJNSU-SZVBFZGTSA-N	1	0	368.481	1.623	20	30		FDEDRO
C=CC[C@@]1(C(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)CCC[NH2+]1	ZINC000662498957	806786158	/nfs/dbraw/zinc/78/61/58/806786158.db2.gz	MXFVFGKBYXVAHF-IBGZPJMESA-N	1	0	363.408	1.948	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnc(C(C)C)[nH]2)C1	ZINC001026849661	800015492	/nfs/dbraw/zinc/01/54/92/800015492.db2.gz	BGLRJHLDYJNICB-OAGGEKHMSA-N	1	0	361.490	1.847	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nn(CC)nc2C)C1	ZINC001026849724	800015923	/nfs/dbraw/zinc/01/59/23/800015923.db2.gz	DEGQYANBDVNLIR-NUJGCVRESA-N	1	0	361.490	1.526	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cc3n(n2)CCC3)C1	ZINC001026849769	800016449	/nfs/dbraw/zinc/01/64/49/800016449.db2.gz	FFRISLCRFWLXLU-IPELMVKDSA-N	1	0	358.486	1.749	20	30		FDEDRO
CC(C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21)[NH+](C)C	ZINC000974688074	800075019	/nfs/dbraw/zinc/07/50/19/800075019.db2.gz	DEAQAMOBRHPSTG-KBRIMQKVSA-N	1	0	357.458	1.145	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C(C)(C)C1	ZINC000974688234	800075903	/nfs/dbraw/zinc/07/59/03/800075903.db2.gz	WSQPOZWGZRCDFG-KBAYOESNSA-N	1	0	358.486	1.831	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C(C)(C)C1	ZINC000974691984	800097158	/nfs/dbraw/zinc/09/71/58/800097158.db2.gz	MPXNTPJRDXZXLI-BRWVUGGUSA-N	1	0	358.486	1.738	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2F)C1	ZINC001026894395	800110410	/nfs/dbraw/zinc/11/04/10/800110410.db2.gz	CSRCXGSNNBTLEK-JOQOYGCGSA-N	1	0	361.417	1.439	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1occc1CC)C2	ZINC001112523914	800392671	/nfs/dbraw/zinc/39/26/71/800392671.db2.gz	XZZKMZHKGZBPPQ-KUDFPVQQSA-N	1	0	371.481	1.812	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccn(C)c(=O)c1	ZINC001027890166	806832960	/nfs/dbraw/zinc/83/29/60/806832960.db2.gz	REVLQLNGBDMNCL-KURKYZTESA-N	1	0	359.470	1.447	20	30		FDEDRO
C[C@H]1C[C@@H](C(=O)N2C[C@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@H]32)CC[N@@H+]1C	ZINC000974869958	800463706	/nfs/dbraw/zinc/46/37/06/800463706.db2.gz	CHBTXQHRNRDWLG-OIPACUDHSA-N	1	0	369.469	1.290	20	30		FDEDRO
C=CC[C@]1(C(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)CCC[NH2+]1	ZINC000662555581	806837103	/nfs/dbraw/zinc/83/71/03/806837103.db2.gz	VEQUIESHZGZRRM-LJQANCHMSA-N	1	0	359.474	1.087	20	30		FDEDRO
C=CC[C@]1(C(=O)NCC(=O)Nc2ccc(-n3cccn3)cc2)CCC[NH2+]1	ZINC000662561609	806840808	/nfs/dbraw/zinc/84/08/08/806840808.db2.gz	SJDHNQPRODUBBC-LJQANCHMSA-N	1	0	353.426	1.625	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nc(C3CCC3)no2)C1	ZINC001027076501	800891880	/nfs/dbraw/zinc/89/18/80/800891880.db2.gz	PDQBEOQGXKSVBO-IMJJTQAJSA-N	1	0	360.458	1.866	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnc(CC)o2)C1	ZINC001027113801	800978293	/nfs/dbraw/zinc/97/82/93/800978293.db2.gz	JJSHRZSSVNXGBP-VKJFTORMSA-N	1	0	362.474	1.941	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(OC)nn2)C1	ZINC001027116539	801008442	/nfs/dbraw/zinc/00/84/42/801008442.db2.gz	DKYIILDPBVACRH-ZVZYQTTQSA-N	1	0	360.458	1.405	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21	ZINC000975214956	801011114	/nfs/dbraw/zinc/01/11/14/801011114.db2.gz	VHYAPJGJJMUONS-CKEIUWERSA-N	1	0	355.442	1.044	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C(N)=O)cc2)C1	ZINC001027117047	801013809	/nfs/dbraw/zinc/01/38/09/801013809.db2.gz	OGZBGBDAKWEFNZ-WDSOQIARSA-N	1	0	371.481	1.705	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ncnn2CCC)C1	ZINC001027117260	801015146	/nfs/dbraw/zinc/01/51/46/801015146.db2.gz	UKKMOEJQCNXCOB-RYRKJORJSA-N	1	0	361.490	1.607	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cncc(OC)n2)C1	ZINC001027117268	801015566	/nfs/dbraw/zinc/01/55/66/801015566.db2.gz	ULXIXYUCPLBQRS-ZVZYQTTQSA-N	1	0	360.458	1.405	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ncc(Cl)n2C)C1	ZINC001027117426	801016415	/nfs/dbraw/zinc/01/64/15/801016415.db2.gz	YCJHKKLBGPQJND-KEYYUXOJSA-N	1	0	366.893	1.993	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000975307559	801112117	/nfs/dbraw/zinc/11/21/17/801112117.db2.gz	IYGLEHAWHIHUAU-YVWKXTFCSA-N	1	0	367.493	1.977	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000975316675	801129821	/nfs/dbraw/zinc/12/98/21/801129821.db2.gz	JVNAMVDITGTWGT-UWWQBHOKSA-N	1	0	371.485	1.585	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1	ZINC000975551360	801489987	/nfs/dbraw/zinc/48/99/87/801489987.db2.gz	AGTDGQNTAKIHDM-BBWFWOEESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CC[C@]1(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)CCC[NH2+]1	ZINC000662646811	806922944	/nfs/dbraw/zinc/92/29/44/806922944.db2.gz	NKBIFNGCLRKSQS-NEYJZJCJSA-N	1	0	353.466	1.958	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2CCN(C(=O)[C@@]34CC[N@H+](C3)CCC4)[C@H]2C1	ZINC000975698464	801981820	/nfs/dbraw/zinc/98/18/20/801981820.db2.gz	KRWQJYMFACVREF-WFXMLNOXSA-N	1	0	355.482	1.335	20	30		FDEDRO
CC1(C)CC[N@H+](CC(=O)N2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)C1	ZINC000975700232	802059051	/nfs/dbraw/zinc/05/90/51/802059051.db2.gz	FVDRJDHPCSGKEJ-ROUUACIJSA-N	1	0	357.498	1.581	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CCN(C(=O)C#CC3CC3)[C@H]2C1	ZINC000975756479	802274159	/nfs/dbraw/zinc/27/41/59/802274159.db2.gz	RYBABYGQQQEDLV-OTWHNJEPSA-N	1	0	357.498	1.724	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@@H]21	ZINC000975930920	802743965	/nfs/dbraw/zinc/74/39/65/802743965.db2.gz	XVLLHISIEKTIIJ-DZKIICNBSA-N	1	0	358.442	1.564	20	30		FDEDRO
Cc1c(C(=O)N2CC[C@@H]3CCN(C(=O)[C@@H](C)C#N)C[C@@H]32)ccc2c[nH+]cn21	ZINC000975960523	802751778	/nfs/dbraw/zinc/75/17/78/802751778.db2.gz	AZWLPAKYELUNCV-YEWWUXTCSA-N	1	0	365.437	1.865	20	30		FDEDRO
C=CC[C@@]1(C(=O)N[C@@H](C)CN2CCN(c3ccccn3)CC2)CCC[NH2+]1	ZINC000662734667	802968410	/nfs/dbraw/zinc/96/84/10/802968410.db2.gz	RZWCXAWOLXNTRN-PXNSSMCTSA-N	1	0	357.502	1.407	20	30		FDEDRO
C=CC[C@]1(C(=O)N[C@H](C)CS(=O)(=O)c2ccc(C)cc2)CCC[NH2+]1	ZINC000662794494	803292106	/nfs/dbraw/zinc/29/21/06/803292106.db2.gz	QTHXCSHDTGCTAP-CRAIPNDOSA-N	1	0	350.484	1.972	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC000976555089	803516710	/nfs/dbraw/zinc/51/67/10/803516710.db2.gz	FIRMFSOVRKXTNL-KURKYZTESA-N	1	0	371.485	1.918	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1	ZINC000423083018	814957413	/nfs/dbraw/zinc/95/74/13/814957413.db2.gz	GBBBCBOZVWATKL-UHFFFAOYSA-N	1	0	354.454	1.509	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCC(OCCC[NH3+])CC1	ZINC000423131117	814969262	/nfs/dbraw/zinc/96/92/62/814969262.db2.gz	ZFCQIIHLVRKZDJ-UHFFFAOYSA-N	1	0	359.470	1.558	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1c1ccccc1	ZINC001211673335	804802083	/nfs/dbraw/zinc/80/20/83/804802083.db2.gz	CTTHHYJSMBIJGS-ZSYWTGECSA-N	1	0	371.481	1.570	20	30		FDEDRO
C=CCN(CC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1)C(C)(C)C	ZINC000661755124	804819722	/nfs/dbraw/zinc/81/97/22/804819722.db2.gz	KJELIWAKXHQSSH-CQSZACIVSA-N	1	0	368.503	1.776	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1c1ccccc1	ZINC001211673721	804866849	/nfs/dbraw/zinc/86/68/49/804866849.db2.gz	XCUBCYABCUNTOY-ZSYWTGECSA-N	1	0	371.481	1.570	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]2CN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)c1	ZINC000977813704	804946897	/nfs/dbraw/zinc/94/68/97/804946897.db2.gz	FTLUQADWFIHKPR-GBESFXJTSA-N	1	0	368.481	1.466	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CCN1C(=O)C1CC[NH+](C)CC1	ZINC000977799054	804956649	/nfs/dbraw/zinc/95/66/49/804956649.db2.gz	SGKIFTHKAHYEJB-SQNIBIBYSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1	ZINC000423349415	815050817	/nfs/dbraw/zinc/05/08/17/815050817.db2.gz	WOEWEKCPQCVWFW-ROUUACIJSA-N	1	0	365.518	1.936	20	30		FDEDRO
C=CCCc1ccccc1NC(=O)C(=O)NCC1([NH+](C)C)CCOCC1	ZINC000504089841	815058395	/nfs/dbraw/zinc/05/83/95/815058395.db2.gz	UMDPZMXZADDRDU-UHFFFAOYSA-N	1	0	359.470	1.971	20	30		FDEDRO
CCC[C@@H]1CN(C(=O)NCC(=O)NCC#N)CC[N@@H+]1Cc1ccccc1	ZINC000511919767	805369340	/nfs/dbraw/zinc/36/93/40/805369340.db2.gz	AKGPBXGANOJGCN-QGZVFWFLSA-N	1	0	357.458	1.322	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]2CN(C)C(=O)[C@@H]2C[C@H]2CCC)CC1	ZINC000978341836	805371916	/nfs/dbraw/zinc/37/19/16/805371916.db2.gz	RJDJDTPNYQWWSP-CEXWTWQISA-N	1	0	359.514	1.827	20	30		FDEDRO
CCC(CC)(CNC(=O)NCC(=O)NCC#N)[NH2+][C@@H](C)c1ccccc1	ZINC000511920204	805381578	/nfs/dbraw/zinc/38/15/78/805381578.db2.gz	CBDVYEKSEIHPAC-HNNXBMFYSA-N	1	0	359.474	1.835	20	30		FDEDRO
C#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2cn(C)nc2C)C1	ZINC001087429903	807026552	/nfs/dbraw/zinc/02/65/52/807026552.db2.gz	KAFUFLNYTZRPIL-WOJBJXKFSA-N	1	0	350.466	1.879	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1	ZINC001087432727	807340783	/nfs/dbraw/zinc/34/07/83/807340783.db2.gz	FCEYUHQKYKUWIY-IAGOWNOFSA-N	1	0	352.438	1.554	20	30		FDEDRO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1	ZINC000423523739	815112975	/nfs/dbraw/zinc/11/29/75/815112975.db2.gz	IMIWTYNVMNDDFY-RDGPPVDQSA-N	1	0	366.465	1.495	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C)c(C(N)=O)cn1)C2	ZINC001112532551	807393699	/nfs/dbraw/zinc/39/36/99/807393699.db2.gz	IRKJANSYZGWBMQ-YWZLYKJASA-N	1	0	354.454	1.344	20	30		FDEDRO
N#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)[nH]1	ZINC000981175159	807649046	/nfs/dbraw/zinc/64/90/46/807649046.db2.gz	FXKIOJWZVPQIOL-YSVLISHTSA-N	1	0	369.469	1.243	20	30		FDEDRO
C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1	ZINC000423566666	815137058	/nfs/dbraw/zinc/13/70/58/815137058.db2.gz	VJRHFOVBQLNJBV-FQEVSTJZSA-N	1	0	352.438	1.371	20	30		FDEDRO
C=C(C)C(=O)NCCC[NH2+]C1CCN(C(=O)c2cccc(OC)c2)CC1	ZINC001167849745	808431333	/nfs/dbraw/zinc/43/13/33/808431333.db2.gz	BLQSVGPLNLRPPH-UHFFFAOYSA-N	1	0	359.470	1.972	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H](COC)[C@@H]2CCCO2)c(OC)c1	ZINC000279153986	808509984	/nfs/dbraw/zinc/50/99/84/808509984.db2.gz	ZAOIXLXRGIMNFN-SQNIBIBYSA-N	1	0	365.470	1.947	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1	ZINC000423724800	815214653	/nfs/dbraw/zinc/21/46/53/815214653.db2.gz	INHWUZRTCSVDOO-RTBURBONSA-N	1	0	368.481	1.897	20	30		FDEDRO
CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCO[C@H]3c3ccnn3CC)C2)C1	ZINC000981822454	808574516	/nfs/dbraw/zinc/57/45/16/808574516.db2.gz	KOLKTNKNVFAIHO-IEBWSBKVSA-N	1	0	370.497	1.928	20	30		FDEDRO
O=C(NCC#Cc1cccc(F)c1)N1CCC(C[NH+]2CCOCC2)CC1	ZINC000512172829	808635794	/nfs/dbraw/zinc/63/57/94/808635794.db2.gz	PECCTNZNQIGJKO-UHFFFAOYSA-N	1	0	359.445	1.931	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1	ZINC001087437479	808959477	/nfs/dbraw/zinc/95/94/77/808959477.db2.gz	TYZJWXFEXTUUGR-AKHDSKFASA-N	1	0	371.481	1.570	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CN2CC(=O)NC2=O)C1	ZINC001087439676	809102350	/nfs/dbraw/zinc/10/23/50/809102350.db2.gz	LTSTYEJQAAEGTO-IAGOWNOFSA-N	1	0	370.453	1.089	20	30		FDEDRO
C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000418708072	809147494	/nfs/dbraw/zinc/14/74/94/809147494.db2.gz	UCIOLXDBLBKNHH-NEPJUHHUSA-N	1	0	358.402	1.374	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1c1ccccc1	ZINC001211718356	809216117	/nfs/dbraw/zinc/21/61/17/809216117.db2.gz	JDDVWVQBOVRTHA-FUHWJXTLSA-N	1	0	350.422	1.001	20	30		FDEDRO
C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCCSCc2ccccc2C#N)C1	ZINC000418931367	809323026	/nfs/dbraw/zinc/32/30/26/809323026.db2.gz	YCIURFIUXGPUOM-ZBFHGGJFSA-N	1	0	374.510	1.493	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCN2CCCC2=O)C[C@H]1c1ccccc1	ZINC001211724209	809342367	/nfs/dbraw/zinc/34/23/67/809342367.db2.gz	UETRKBHWPUXZFE-RBUKOAKNSA-N	1	0	353.466	1.606	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2	ZINC000419055801	809496368	/nfs/dbraw/zinc/49/63/68/809496368.db2.gz	KDEFKVNHLVSLJS-GOSISDBHSA-N	1	0	355.482	1.892	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@H](C)[NH2+]1	ZINC000419112334	809583762	/nfs/dbraw/zinc/58/37/62/809583762.db2.gz	JYQUGQCHDGNHFF-BETUJISGSA-N	1	0	367.371	1.382	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)NC(=O)NC)C[C@H]1c1ccccc1	ZINC001211729757	809674181	/nfs/dbraw/zinc/67/41/81/809674181.db2.gz	IIKPUCGCAYDNFW-DLBZAZTESA-N	1	0	356.470	1.302	20	30		FDEDRO
COc1cc(OC)cc(C(=O)N2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)c1	ZINC000424104919	815309083	/nfs/dbraw/zinc/30/90/83/815309083.db2.gz	VGUVZMJZMMTWLT-QGZVFWFLSA-N	1	0	374.441	1.009	20	30		FDEDRO
C[NH+](C)CC1CCN(c2ccccc2NC(=O)Cn2cnc(C#N)n2)CC1	ZINC000473278851	809723552	/nfs/dbraw/zinc/72/35/52/809723552.db2.gz	YZVMUEQRMWWKJT-UHFFFAOYSA-N	1	0	367.457	1.566	20	30		FDEDRO
C=CCOCCCNC(=O)Nc1cccc(CN2CCC[C@H]2C(N)=O)c1	ZINC000664377523	815318408	/nfs/dbraw/zinc/31/84/08/815318408.db2.gz	CUFGYWLZIMTGCJ-KRWDZBQOSA-N	1	0	360.458	1.851	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1c1ccccc1	ZINC001211736547	809922677	/nfs/dbraw/zinc/92/26/77/809922677.db2.gz	XELHBRLEVYKYNC-ZWKOTPCHSA-N	1	0	359.470	1.429	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2cnnn2C)C1	ZINC001211736046	809925283	/nfs/dbraw/zinc/92/52/83/809925283.db2.gz	FMYZVXOGGGEPLT-AYOQOUSVSA-N	1	0	369.469	1.490	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cn2cnnn2)C1	ZINC001087452508	809976041	/nfs/dbraw/zinc/97/60/41/809976041.db2.gz	XEAKOQJPIGAUNE-IAGOWNOFSA-N	1	0	358.421	1.363	20	30		FDEDRO
C=CCN(C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)[C@@H](C)COC	ZINC000663916861	810026889	/nfs/dbraw/zinc/02/68/89/810026889.db2.gz	QZOCDZAFAIXKEW-HOTGVXAUSA-N	1	0	354.495	1.162	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)CC1	ZINC000067141194	810044629	/nfs/dbraw/zinc/04/46/29/810044629.db2.gz	VFFNZQAUKGYTDN-FQEVSTJZSA-N	1	0	350.466	1.741	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCO)CC[C@@H]2c2cccc(F)c2)[nH]1	ZINC001087454569	810046604	/nfs/dbraw/zinc/04/66/04/810046604.db2.gz	YYLQXKZOBWOLMY-SJLPKXTDSA-N	1	0	356.401	1.606	20	30		FDEDRO
COCC#CCN[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C(F)(F)F	ZINC001112122649	810162280	/nfs/dbraw/zinc/16/22/80/810162280.db2.gz	ZFNKIFQCBVVDSK-RBSFLKMASA-N	1	0	361.408	1.099	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCN(C)C2=O)C1	ZINC001087457574	810203407	/nfs/dbraw/zinc/20/34/07/810203407.db2.gz	HYZVXODHOYMLHK-CEXWTWQISA-N	1	0	371.456	1.601	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1	ZINC001087457557	810203632	/nfs/dbraw/zinc/20/36/32/810203632.db2.gz	GZRTVDMKQXDYFZ-NVXWUHKLSA-N	1	0	356.401	1.683	20	30		FDEDRO
COCC(COC)[NH+]1CCN(CCC(=O)Nc2cccc(C#N)c2)CC1	ZINC000411867726	810347091	/nfs/dbraw/zinc/34/70/91/810347091.db2.gz	XRBDITKWPOHJKT-UHFFFAOYSA-N	1	0	360.458	1.166	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1	ZINC000429978030	810538698	/nfs/dbraw/zinc/53/86/98/810538698.db2.gz	CVYMCYVILSRZGX-KRWDZBQOSA-N	1	0	367.453	1.914	20	30		FDEDRO
C[C@@H]1CN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](C)C[N@@H+]1CCO	ZINC000419345274	810579489	/nfs/dbraw/zinc/57/94/89/810579489.db2.gz	SYPIFFPCLGVJEG-JTDSTZFVSA-N	1	0	356.470	1.441	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCn2cc(Cl)cn2)C1	ZINC001028548521	810615772	/nfs/dbraw/zinc/61/57/72/810615772.db2.gz	BPVGUZPISGUFOJ-OIISXLGYSA-N	1	0	366.893	1.956	20	30		FDEDRO
COc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@]34C[C@H]3COC4)C2)cc1C#N	ZINC001028554952	810649060	/nfs/dbraw/zinc/64/90/60/810649060.db2.gz	PQCQQZSUUVUGLC-SYNHAJSKSA-N	1	0	355.438	1.541	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@]2(C)C[N@@H+]([C@@H](CC)C(N)=O)C[C@]2(C)C1	ZINC000982642021	810671804	/nfs/dbraw/zinc/67/18/04/810671804.db2.gz	OWVWFYIUIPPPHV-IEYYFSCXSA-N	1	0	363.502	1.402	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[C@H]2C2CCC2)CC1	ZINC000937284423	810742990	/nfs/dbraw/zinc/74/29/90/810742990.db2.gz	ZYWOUZBZMLCUJN-LWYYNNOASA-N	1	0	369.509	1.580	20	30		FDEDRO
C=CCCn1cc(C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)nn1	ZINC000424620772	815400763	/nfs/dbraw/zinc/40/07/63/815400763.db2.gz	VXACNJZPSUQOAO-UHFFFAOYSA-N	1	0	356.430	1.997	20	30		FDEDRO
C[C@@H]1CCC[N@@H+]1CCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N	ZINC000894186027	810852720	/nfs/dbraw/zinc/85/27/20/810852720.db2.gz	SRTFQODNLFPACV-QLFBSQMISA-N	1	0	365.478	1.529	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@@H+](C[C@H](O)C4CCCCC4)C[C@H]32)c1	ZINC001075658474	810907921	/nfs/dbraw/zinc/90/79/21/810907921.db2.gz	DSGZKCFJENLURR-UHOSZYNNSA-N	1	0	356.470	1.974	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1	ZINC001087463459	811108496	/nfs/dbraw/zinc/10/84/96/811108496.db2.gz	LAKLIGSYHVWTDF-MJXNMMHHSA-N	1	0	370.428	1.994	20	30		FDEDRO
C=CCCn1cc(C(=O)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)nn1	ZINC000424742133	815424240	/nfs/dbraw/zinc/42/42/40/815424240.db2.gz	UUTSSPCFWFSAFM-HNNXBMFYSA-N	1	0	355.446	1.642	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)nn1	ZINC000424735368	815429159	/nfs/dbraw/zinc/42/91/59/815429159.db2.gz	IWWOLNGYZJVPKP-ZWKOTPCHSA-N	1	0	369.469	1.467	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)nn1	ZINC000424735362	815429190	/nfs/dbraw/zinc/42/91/90/815429190.db2.gz	IWWOLNGYZJVPKP-MSOLQXFVSA-N	1	0	369.469	1.467	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000982811771	811257383	/nfs/dbraw/zinc/25/73/83/811257383.db2.gz	KIRMXZVOGOIAMY-ZYSHUDEJSA-N	1	0	357.498	1.342	20	30		FDEDRO
C=CC[NH+]=C(NCc1nnc(C)n1C)N1CC[C@H](C)[C@H](n2ccnc2)C1	ZINC000262001979	811365433	/nfs/dbraw/zinc/36/54/33/811365433.db2.gz	UQDYVPZDCVKNRI-GOEBONIOSA-N	1	0	356.478	1.535	20	30		FDEDRO
COC[C@@H]1CCN(C(N[C@@H]2CCOc3ccccc32)=[NH+]CC(=O)N(C)C)C1	ZINC000262326063	811442254	/nfs/dbraw/zinc/44/22/54/811442254.db2.gz	TXCOTIOQSIEPON-NVXWUHKLSA-N	1	0	374.485	1.512	20	30		FDEDRO
C[C@@H]1C[C@H]([NH+]=C(NCC(=O)N(C)C)N[C@@H]2CCc3ccccc3C2)CCO1	ZINC000262340102	811445355	/nfs/dbraw/zinc/44/53/55/811445355.db2.gz	WVHRQEPDGDDRBX-ATZDWAIDSA-N	1	0	372.513	1.735	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(CO)cc4)C[C@H]32)[nH]1	ZINC001075700230	815451134	/nfs/dbraw/zinc/45/11/34/815451134.db2.gz	HONXIWMVUYRAQO-QFBILLFUSA-N	1	0	350.422	1.725	20	30		FDEDRO
C[NH+]=C(NCC(=O)N1CCc2ccccc2C1)N[C@@H]1C[C@H](OC)C1(C)C	ZINC000261794313	811532073	/nfs/dbraw/zinc/53/20/73/811532073.db2.gz	RDMYMONDALZONB-SJORKVTESA-N	1	0	358.486	1.550	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCCC2)N[C@H]1CCN(c2ccccc2)C1	ZINC000262713002	811536682	/nfs/dbraw/zinc/53/66/82/811536682.db2.gz	CYXSSVPPQAWIKD-HNNXBMFYSA-N	1	0	353.474	1.558	20	30		FDEDRO
C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1	ZINC000280026719	811696733	/nfs/dbraw/zinc/69/67/33/811696733.db2.gz	MWFUNWGMHTXDHF-LPHOPBHVSA-N	1	0	353.470	1.383	20	30		FDEDRO
C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@@H](CC(N)=O)c1ccccc1	ZINC000280548653	811857679	/nfs/dbraw/zinc/85/76/79/811857679.db2.gz	QFYVBTIKZYZMJG-MJGOQNOKSA-N	1	0	353.422	1.846	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)[C@H](OCC)C2)C1	ZINC000983295133	815488177	/nfs/dbraw/zinc/48/81/77/815488177.db2.gz	NKEHJWCBGQQMFM-BRWVUGGUSA-N	1	0	363.502	1.274	20	30		FDEDRO
CO[C@@H]1CCN(C(=O)C(=O)N[C@H](CCC#N)c2ccccc2)[C@H](C[NH3+])C1	ZINC000419472004	811967258	/nfs/dbraw/zinc/96/72/58/811967258.db2.gz	INAYYIBMXAVISJ-GVDBMIGSSA-N	1	0	358.442	1.112	20	30		FDEDRO
C[C@]1(C2CC2)NC(=O)N(c2cccc(CNC(=[NH2+])N3CCOCC3)c2)C1=O	ZINC000261913176	815488671	/nfs/dbraw/zinc/48/86/71/815488671.db2.gz	YTLJAFYUAGTZNF-LJQANCHMSA-N	1	0	371.441	1.058	20	30		FDEDRO
C=C(C)[C@@H](NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1ccc(F)c(F)c1	ZINC000419673856	812084355	/nfs/dbraw/zinc/08/43/55/812084355.db2.gz	HYXWUCFDJVPNPZ-APWZRJJASA-N	1	0	363.408	1.910	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)c1ccc(F)c(F)c1	ZINC000419686157	812102663	/nfs/dbraw/zinc/10/26/63/812102663.db2.gz	YQWXOSDSRPCHPE-CPUCHLNUSA-N	1	0	363.408	1.766	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)NCC3([NH3+])CCCCC3)CC2)cc1	ZINC000419808736	812223519	/nfs/dbraw/zinc/22/35/19/812223519.db2.gz	VQNLBLCANJFHIY-UHFFFAOYSA-N	1	0	366.465	1.952	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)NC3CCC([NH3+])CC3)CC2)cc1	ZINC000419872808	812267886	/nfs/dbraw/zinc/26/78/86/812267886.db2.gz	MDSZVDZYRLAPMC-UHFFFAOYSA-N	1	0	352.438	1.560	20	30		FDEDRO
N#Cc1cccc([C@@H]2CN(C(=O)C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])CCO2)c1	ZINC000420010665	813394982	/nfs/dbraw/zinc/39/49/82/813394982.db2.gz	FUKVLQBAGFXZIU-SQNIBIBYSA-N	1	0	370.453	1.092	20	30		FDEDRO
C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C	ZINC000420040539	813419732	/nfs/dbraw/zinc/41/97/32/813419732.db2.gz	PAQSREQGLOBXLS-NVXWUHKLSA-N	1	0	359.470	1.821	20	30		FDEDRO
C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000420102101	813457868	/nfs/dbraw/zinc/45/78/68/813457868.db2.gz	NEKUKGDKVNHPHS-KDOFPFPSSA-N	1	0	370.453	1.042	20	30		FDEDRO
C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	ZINC000420105799	813461639	/nfs/dbraw/zinc/46/16/39/813461639.db2.gz	SXJTYNSMZUKVKY-UBDQQSCGSA-N	1	0	354.454	1.399	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1	ZINC000420214687	813559019	/nfs/dbraw/zinc/55/90/19/813559019.db2.gz	RLJHRDZMRZYQMF-GBESFXJTSA-N	1	0	366.465	1.577	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C(=O)NC)C2)cc1	ZINC000420970489	813898209	/nfs/dbraw/zinc/89/82/09/813898209.db2.gz	GJRURRKUOVLMLM-OAHLLOKOSA-N	1	0	358.442	1.400	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@H](C)C[C@@H](CO)C1)C(C)C	ZINC000421741367	814288469	/nfs/dbraw/zinc/28/84/69/814288469.db2.gz	OLWUMACPTPBKKR-KZNAEPCWSA-N	1	0	365.518	1.278	20	30		FDEDRO
CC[C@@H]1C[N@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C[C@H]1O	ZINC000271985078	814534833	/nfs/dbraw/zinc/53/48/33/814534833.db2.gz	FEQXVWBFSQEXRH-ATZDWAIDSA-N	1	0	374.460	1.237	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C	ZINC000272460515	814714232	/nfs/dbraw/zinc/71/42/32/814714232.db2.gz	CLRKWOBSMJUYHG-WOSRLPQWSA-N	1	0	356.426	1.515	20	30		FDEDRO
CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)CC1	ZINC000272583791	814761240	/nfs/dbraw/zinc/76/12/40/814761240.db2.gz	RGGLITCKKNBYRE-OAHLLOKOSA-N	1	0	358.442	1.859	20	30		FDEDRO
CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)NCCCC#N)c1	ZINC000273147339	814788916	/nfs/dbraw/zinc/78/89/16/814788916.db2.gz	VQRCZQHFATYYQL-UHFFFAOYSA-N	1	0	373.457	1.117	20	30		FDEDRO
N#CCCCNC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000273606301	814797754	/nfs/dbraw/zinc/79/77/54/814797754.db2.gz	SJBVDGKHEWMXDC-SFHVURJKSA-N	1	0	370.501	1.929	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)C(=O)NCC(C)(C)CC#N)C[N@@H+]1Cc1ccccc1	ZINC000422373123	814813090	/nfs/dbraw/zinc/81/30/90/814813090.db2.gz	CTFNEAWQSJHQPR-WBVHZDCISA-N	1	0	356.470	1.822	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C	ZINC000422432118	814820059	/nfs/dbraw/zinc/82/00/59/814820059.db2.gz	WSPCMMYATLPBSY-SZVBFZGTSA-N	1	0	355.482	1.889	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1	ZINC001167951049	814887883	/nfs/dbraw/zinc/88/78/83/814887883.db2.gz	ZNTMVFHMIAHCGS-RRQGHBQHSA-N	1	0	361.873	1.677	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1	ZINC000983318442	815748519	/nfs/dbraw/zinc/74/85/19/815748519.db2.gz	ZQPLLGHRBJVWAA-BBWFWOEESA-N	1	0	361.486	1.171	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](C[C@H](O)C4CCCCC4)C[C@H]32)c[nH]1	ZINC001075710175	815771239	/nfs/dbraw/zinc/77/12/39/815771239.db2.gz	YQGFNFRIFHERNL-IPELMVKDSA-N	1	0	356.470	1.974	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cnc(OC)nc2C)C1	ZINC001028809842	815784160	/nfs/dbraw/zinc/78/41/60/815784160.db2.gz	OXBWCZWMQNZEEM-UAGQMJEPSA-N	1	0	360.458	1.323	20	30		FDEDRO
C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(c2ncc3c(c2C#N)CCC3)C1	ZINC000425253396	815856517	/nfs/dbraw/zinc/85/65/17/815856517.db2.gz	JJNDLABNXGPXPN-AWEZNQCLSA-N	1	0	365.441	1.230	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(NC(=O)C2(c3cccc(C#N)c3)CC2)CC1	ZINC000435011379	815879410	/nfs/dbraw/zinc/87/94/10/815879410.db2.gz	IWNXHEIVNZCIDG-UHFFFAOYSA-N	1	0	368.481	1.649	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NCCCC	ZINC001167957309	815889228	/nfs/dbraw/zinc/88/92/28/815889228.db2.gz	VDTDODGIZFSLQV-IKGGRYGDSA-N	1	0	353.507	1.758	20	30		FDEDRO
N#CCc1ccc(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1	ZINC000514598894	815898511	/nfs/dbraw/zinc/89/85/11/815898511.db2.gz	FTCWBIQRFHINTI-MOPGFXCFSA-N	1	0	356.470	1.930	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NCc1ccco1	ZINC001167957406	815899824	/nfs/dbraw/zinc/89/98/24/815899824.db2.gz	WESWWSHKEHWDOP-WMZOPIPTSA-N	1	0	363.458	1.363	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]Cc1nnc(C)n1CCC	ZINC001167957650	815913136	/nfs/dbraw/zinc/91/31/36/815913136.db2.gz	ZVKOWSGGJFVJCG-WMZOPIPTSA-N	1	0	363.506	1.964	20	30		FDEDRO
Cc1nc2ccccn2c(=O)c1CC[NH+]1CCN(c2cccc(C#N)n2)CC1	ZINC000514693865	815941450	/nfs/dbraw/zinc/94/14/50/815941450.db2.gz	AHNCGQZVFWHYLF-UHFFFAOYSA-N	1	0	374.448	1.634	20	30		FDEDRO
N#Cc1cc(N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)ncn1	ZINC000514772619	815970830	/nfs/dbraw/zinc/97/08/30/815970830.db2.gz	LBNQQZANBMFMSY-QGZVFWFLSA-N	1	0	363.469	1.782	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)ncc1C#N	ZINC000514949926	816045743	/nfs/dbraw/zinc/04/57/43/816045743.db2.gz	MYTRGBILPXIUBU-UHFFFAOYSA-N	1	0	373.457	1.160	20	30		FDEDRO
C=CCn1cc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)nn1	ZINC000425867193	816077913	/nfs/dbraw/zinc/07/79/13/816077913.db2.gz	CEEDCYYTWQQHPT-UHFFFAOYSA-N	1	0	360.437	1.877	20	30		FDEDRO
C=CCn1cc(CNC(=O)NC2CC[NH+](Cc3ccncc3)CC2)nn1	ZINC000425424556	816268834	/nfs/dbraw/zinc/26/88/34/816268834.db2.gz	XARXGKGNUAYTNW-UHFFFAOYSA-N	1	0	355.446	1.323	20	30		FDEDRO
COC(=O)c1ccc(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1	ZINC000515832037	816463751	/nfs/dbraw/zinc/46/37/51/816463751.db2.gz	GXJBJHXAVPEZQV-UHFFFAOYSA-N	1	0	373.434	1.346	20	30		FDEDRO
CC#CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2c[nH]c(=O)n2C)C1	ZINC001087466511	816644919	/nfs/dbraw/zinc/64/49/19/816644919.db2.gz	WJUGLAZEIDHIDQ-IAGOWNOFSA-N	1	0	370.428	1.876	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@@](C(N)=O)(c4ccccc4)C3)C2=O)cc1	ZINC000517086011	817209115	/nfs/dbraw/zinc/20/91/15/817209115.db2.gz	DBUHBQIMBGQWGO-KNQAVFIVSA-N	1	0	374.444	1.793	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1	ZINC000425882446	817300701	/nfs/dbraw/zinc/30/07/01/817300701.db2.gz	LYQYKLYNPIHPDS-SZMVWBNQSA-N	1	0	373.497	1.939	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H](C)c2cccc(C#N)c2)CC1	ZINC000425887693	817321096	/nfs/dbraw/zinc/32/10/96/817321096.db2.gz	RQHPNRVNJNRCCU-OAHLLOKOSA-N	1	0	354.454	1.844	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1	ZINC001087466769	817374034	/nfs/dbraw/zinc/37/40/34/817374034.db2.gz	KFMDWSAVBLALNK-QRVBRYPASA-N	1	0	371.456	1.744	20	30		FDEDRO
CCO[C@H](CC(=O)N1C[C@H]2C[N@H+](CC#CCOC)C[C@@]2(C)C1)C(C)C	ZINC001101267879	817386625	/nfs/dbraw/zinc/38/66/25/817386625.db2.gz	WXYSXSPYHKIQDM-GGPKGHCWSA-N	1	0	350.503	1.868	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1	ZINC000438006737	817431558	/nfs/dbraw/zinc/43/15/58/817431558.db2.gz	NVOGREVDVSFIMU-SJLPKXTDSA-N	1	0	366.506	1.163	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCn2nc(C)cc2C)C[C@H]1C(F)(F)F	ZINC001112141053	817525111	/nfs/dbraw/zinc/52/51/11/817525111.db2.gz	HBNXPSFEQISXAW-HUUCEWRRSA-N	1	0	356.392	1.892	20	30		FDEDRO
N#Cc1ccccc1COc1cccc(CN2CCN(CC(N)=O)CC2)c1	ZINC000506244733	817589946	/nfs/dbraw/zinc/58/99/46/817589946.db2.gz	CKKOZVPOGQBOFY-UHFFFAOYSA-N	1	0	364.449	1.740	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cnc2c(c1)CCCC2	ZINC000438736792	817688182	/nfs/dbraw/zinc/68/81/82/817688182.db2.gz	FIDFLZDVSHENTQ-UHFFFAOYSA-N	1	0	357.458	1.593	20	30		FDEDRO
CCC(CC)[NH2+]CCNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000894423316	818038306	/nfs/dbraw/zinc/03/83/06/818038306.db2.gz	RHQSBRMCFQBBJM-SFHVURJKSA-N	1	0	371.485	1.737	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@H]2CCc3ncnn32)C1	ZINC000983697283	818595869	/nfs/dbraw/zinc/59/58/69/818595869.db2.gz	FFJUOSKAGXAFIA-HHARLNAUSA-N	1	0	359.474	1.231	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3ccncc3)C2)C1=O	ZINC000983707316	818635621	/nfs/dbraw/zinc/63/56/21/818635621.db2.gz	CNTUKLBQCDDUQU-GPFWEFOESA-N	1	0	368.481	1.456	20	30		FDEDRO
CC(C)[NH2+]CCCNC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000519592870	818654403	/nfs/dbraw/zinc/65/44/03/818654403.db2.gz	PHWWSQGBMMAITK-UHFFFAOYSA-N	1	0	372.469	1.432	20	30		FDEDRO
C#CC[C@@H](NC1CC[NH+](CCNC(=O)OC(C)(C)C)CC1)C(=O)OC	ZINC000894859737	818903428	/nfs/dbraw/zinc/90/34/28/818903428.db2.gz	WSGGYZWUZWNTAI-OAHLLOKOSA-N	1	0	353.463	1.130	20	30		FDEDRO
C=CCCn1cc(-c2nc(-c3ccc(N4CC[NH+](C)CC4)cn3)no2)nn1	ZINC000664943225	818976903	/nfs/dbraw/zinc/97/69/03/818976903.db2.gz	KWFFAVHHHGDTAM-UHFFFAOYSA-N	1	0	366.429	1.718	20	30		FDEDRO
CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)C(=O)NC3(C#N)CCCCC3)[C@@H]2C1	ZINC000519848354	819096911	/nfs/dbraw/zinc/09/69/11/819096911.db2.gz	MUBJBBISGOKDTB-SPUZQDLCSA-N	1	0	360.502	1.954	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H]2COc3ccccc3O2)C1	ZINC000328657196	819524687	/nfs/dbraw/zinc/52/46/87/819524687.db2.gz	ONSDUPILGVULPT-HZPDHXFCSA-N	1	0	363.458	1.687	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1C[C@@H]2COC[C@H](C1)O2	ZINC000328743107	819542697	/nfs/dbraw/zinc/54/26/97/819542697.db2.gz	OHUVGXHQIWYYOB-OQIJWPOYSA-N	1	0	359.470	1.911	20	30		FDEDRO
CC(C)N1C(=O)N[C@@H]2CN(CC(=O)NC3CC[NH+](C(C)C)CC3)CC[C@@H]21	ZINC000328918660	819592653	/nfs/dbraw/zinc/59/26/53/819592653.db2.gz	AJYFVTDPESTXQE-SJORKVTESA-N	1	0	365.522	1.897	20	30		FDEDRO
COc1ccc([C@H](CNC(=O)N2CC[C@H](C)[C@@H](O)C2)[NH+](C)C)cc1OC	ZINC000330656297	819627860	/nfs/dbraw/zinc/62/78/60/819627860.db2.gz	NHXCVCLOKXAULH-BPUTZDHNSA-N	1	0	365.474	1.923	20	30		FDEDRO
C[C@H](NC(=O)N[C@@H]1CCCN(c2ncc[nH]c2=O)C1)C(C)(C)C[NH+](C)C	ZINC000331219202	819672233	/nfs/dbraw/zinc/67/22/33/819672233.db2.gz	AKQLTNYDNFDZJE-UONOGXRCSA-N	1	0	364.494	1.631	20	30		FDEDRO
COc1cc(NC(=O)NC[C@H]2C[N@H+](C)CCN2C)c(OC)c(C)c1OC	ZINC000331244394	819674474	/nfs/dbraw/zinc/67/44/74/819674474.db2.gz	OPUOUZAKVJYTJL-ZDUSSCGKSA-N	1	0	366.462	1.593	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)CO[C@H]4CCOC4)[C@@H]3C2)cc1	ZINC001075785069	819787635	/nfs/dbraw/zinc/78/76/35/819787635.db2.gz	QHQZLSZLHKINSH-GBESFXJTSA-N	1	0	355.438	1.396	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)CO[C@H]4CCOC4)[C@@H]3C2)c1	ZINC001075784805	819789373	/nfs/dbraw/zinc/78/93/73/819789373.db2.gz	IHUMFGWCSXPBSR-GBESFXJTSA-N	1	0	355.438	1.396	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)c(F)c1	ZINC000520547232	820061965	/nfs/dbraw/zinc/06/19/65/820061965.db2.gz	XBADIJLTCHFGPL-IKGGRYGDSA-N	1	0	371.460	1.917	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O	ZINC000520766302	820656116	/nfs/dbraw/zinc/65/61/16/820656116.db2.gz	RMKHMQZMWALKBD-WMZOPIPTSA-N	1	0	372.469	1.418	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)C1	ZINC001075803795	820676750	/nfs/dbraw/zinc/67/67/50/820676750.db2.gz	CZXISDQZMALASF-ZWQIFLOQSA-N	1	0	366.465	1.506	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1	ZINC000442156492	821077205	/nfs/dbraw/zinc/07/72/05/821077205.db2.gz	AMRPUHOCEWORNA-XJKSGUPXSA-N	1	0	373.457	1.532	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@@H]2COC(=O)C2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087542668	821171129	/nfs/dbraw/zinc/17/11/29/821171129.db2.gz	YVVSMXULBPFKCP-GBESFXJTSA-N	1	0	354.450	1.960	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@@H](C)n2cncn2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087546712	821271736	/nfs/dbraw/zinc/27/17/36/821271736.db2.gz	BVYCZZIZGJDNET-FHLIZLRMSA-N	1	0	352.442	1.880	20	30		FDEDRO
C=CCn1c([C@@H]2CCCO2)nnc1N1CCC(C[NH+]2CCOCC2)CC1	ZINC000521551439	821279656	/nfs/dbraw/zinc/27/96/56/821279656.db2.gz	AYKQGPSYDNBNPZ-KRWDZBQOSA-N	1	0	361.490	1.864	20	30		FDEDRO
C[NH+]1CCN(CCCNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1	ZINC000443431223	821531042	/nfs/dbraw/zinc/53/10/42/821531042.db2.gz	VCBWJKZAYPHROT-UHFFFAOYSA-N	1	0	354.414	2.064	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)Cc2ccn(C)n2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087568405	821545229	/nfs/dbraw/zinc/54/52/29/821545229.db2.gz	PMCGFNFKHJRWBV-VQTJNVASSA-N	1	0	350.466	1.983	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cn4c(n3)CCC4)[C@H]2CC)C1=O	ZINC001087577219	821571467	/nfs/dbraw/zinc/57/14/67/821571467.db2.gz	CKTPAMZELRBPEL-USXIJHARSA-N	1	0	371.485	1.199	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCN(C)C2=O)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087612654	821741328	/nfs/dbraw/zinc/74/13/28/821741328.db2.gz	AXWROBSNLWOPHB-CEXWTWQISA-N	1	0	368.481	1.896	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+]CC1(O)CN(C(=O)OC(C)(C)C)C1	ZINC000895205694	821848687	/nfs/dbraw/zinc/84/86/87/821848687.db2.gz	GJVXXJXOBKSOMC-UHFFFAOYSA-N	1	0	360.458	1.696	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2COCCN2CC(F)F)[C@H]1CC	ZINC001087672845	821982605	/nfs/dbraw/zinc/98/26/05/821982605.db2.gz	KMSBJKVJTSXPPL-XHSDSOJGSA-N	1	0	359.461	1.888	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C3CC3)[C@@H]2CC)cc1	ZINC001087681947	822013130	/nfs/dbraw/zinc/01/31/30/822013130.db2.gz	XTWBUUILNIGMDP-RBUKOAKNSA-N	1	0	353.466	1.871	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)cn2)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087705278	822134843	/nfs/dbraw/zinc/13/48/43/822134843.db2.gz	GHDSGFBGZDMOKY-DZGCQCFKSA-N	1	0	357.439	1.486	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1ccc(C(F)(F)F)c(C#N)n1	ZINC000443518063	822178486	/nfs/dbraw/zinc/17/84/86/822178486.db2.gz	KBTWSWOJBVMUFA-CQSZACIVSA-N	1	0	369.391	2.327	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CCCN3C(=O)CNC3=O)[C@@H]2CC)C1	ZINC001087718637	822183979	/nfs/dbraw/zinc/18/39/79/822183979.db2.gz	YWEXYBFBGDZKOB-LSDHHAIUSA-N	1	0	362.474	1.254	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087727193	822250646	/nfs/dbraw/zinc/25/06/46/822250646.db2.gz	KPYJUGZMAWENIH-ZSYWTGECSA-N	1	0	368.481	1.752	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)CC1	ZINC000524687028	828425898	/nfs/dbraw/zinc/42/58/98/828425898.db2.gz	WZKVLUUMIIXUKE-LBPRGKRZSA-N	1	0	362.380	1.422	20	30		FDEDRO
C#CC1(O)CC[NH+](Cc2cn(CC(=O)OCC)nc2-c2cccnc2)CC1	ZINC000895385892	822569643	/nfs/dbraw/zinc/56/96/43/822569643.db2.gz	OLWQZYJEPUHUSR-UHFFFAOYSA-N	1	0	368.437	1.468	20	30		FDEDRO
CC(=O)N1C[C@@H]2C[N@@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C[C@@H]2C1	ZINC000895576929	822657920	/nfs/dbraw/zinc/65/79/20/822657920.db2.gz	WXKYOOAUOBSVIU-HDICACEKSA-N	1	0	364.453	1.769	20	30		FDEDRO
C=C(C)C[C@H](NC1CC[NH+](CCN2CCOCC2)CC1)C(=O)OCC	ZINC000895598133	822664126	/nfs/dbraw/zinc/66/41/26/822664126.db2.gz	NLEMYXPGXZJGKI-SFHVURJKSA-N	1	0	353.507	1.271	20	30		FDEDRO
C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCCN(CCN2CCOCC2)C1	ZINC000895686456	822698760	/nfs/dbraw/zinc/69/87/60/822698760.db2.gz	RVZOAGGMCGBOJD-OALUTQOASA-N	1	0	364.534	1.472	20	30		FDEDRO
N#Cc1ccccc1N1CCCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1	ZINC000895733460	822727299	/nfs/dbraw/zinc/72/72/99/822727299.db2.gz	WKKSOJQAHUWSTP-GOSISDBHSA-N	1	0	354.454	1.318	20	30		FDEDRO
C#CC[NH+]1CCC(Nc2nc(N)nc(C(F)(F)C(F)(F)F)n2)CC1	ZINC000895811542	822755540	/nfs/dbraw/zinc/75/55/40/822755540.db2.gz	SQDLOLSHJLYWAE-UHFFFAOYSA-N	1	0	350.295	1.617	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2C#N)C1	ZINC001029839583	828482449	/nfs/dbraw/zinc/48/24/49/828482449.db2.gz	DFBINFFMWWRRJA-LZQZEXGQSA-N	1	0	368.481	1.563	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H](C)N(CC)C[C@@H]1C	ZINC000441078992	828536818	/nfs/dbraw/zinc/53/68/18/828536818.db2.gz	XRPAVRLGLVIYJO-KGLIPLIRSA-N	1	0	358.442	1.837	20	30		FDEDRO
C=CC[N@@H+](CCCN1CCOCC1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000525271824	828537705	/nfs/dbraw/zinc/53/77/05/828537705.db2.gz	VVCHJHRHCLGHHA-QGZVFWFLSA-N	1	0	356.474	1.934	20	30		FDEDRO
Cn1nccc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)CC[C@@H]2C1	ZINC001087906547	823736209	/nfs/dbraw/zinc/73/62/09/823736209.db2.gz	MFGZVIUCKGTAQP-KGLIPLIRSA-N	1	0	355.467	1.947	20	30		FDEDRO
CN1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CC#Cc4ccccc4)CC[C@@H]3C2)C1	ZINC001087920539	823875939	/nfs/dbraw/zinc/87/59/39/823875939.db2.gz	SODJFUAFVWKNSV-QHAWAJNXSA-N	1	0	367.493	1.149	20	30		FDEDRO
COc1nccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]3C2)n1	ZINC001087940284	824036220	/nfs/dbraw/zinc/03/62/20/824036220.db2.gz	CSZWYMPRKCPXAV-HIFRSBDPSA-N	1	0	366.425	1.279	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCCc2cccc(C)c2)C[C@H]1NC(=O)CSCC#N	ZINC001211886117	824048027	/nfs/dbraw/zinc/04/80/27/824048027.db2.gz	DBYCEKQRONXTMY-QZTJIDSGSA-N	1	0	361.511	2.000	20	30		FDEDRO
Cn1nncc1C(=O)N1C[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)CC[C@@H]2C1	ZINC001087953344	824129826	/nfs/dbraw/zinc/12/98/26/824129826.db2.gz	PXFJQSAHSSRMFY-SJORKVTESA-N	1	0	367.428	1.400	20	30		FDEDRO
O=C(CO[C@@H]1CCOC1)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001087964636	824218444	/nfs/dbraw/zinc/21/84/44/824218444.db2.gz	UGEVWLGCOGAZNB-QHAWAJNXSA-N	1	0	368.477	1.624	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C(=O)O1	ZINC000896329345	824335707	/nfs/dbraw/zinc/33/57/07/824335707.db2.gz	OKOKTDHRQYIWRB-WMLDXEAASA-N	1	0	356.426	1.480	20	30		FDEDRO
N#Cc1c2ccccc2[nH]c1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000896401250	824386182	/nfs/dbraw/zinc/38/61/82/824386182.db2.gz	SRWPXCGFOLTJCA-HNNXBMFYSA-N	1	0	367.453	1.176	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2nn(C)c(C)c2Cl)C[C@H]1C(F)(F)F	ZINC001112172459	824501977	/nfs/dbraw/zinc/50/19/77/824501977.db2.gz	GCSUKJOBNYBFPH-GHMZBOCLSA-N	1	0	362.783	1.998	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CC1	ZINC000429716732	828662881	/nfs/dbraw/zinc/66/28/81/828662881.db2.gz	KPDMNRQRVLIIPN-RAUXBKROSA-N	1	0	374.529	1.616	20	30		FDEDRO
Cc1noc([C@@H]2CN(C(=O)NC[C@@H]3CCC[N@@H+](C(C)C)C3)CCN2C)n1	ZINC000329134190	824617919	/nfs/dbraw/zinc/61/79/19/824617919.db2.gz	PYYSHMCPDIDPJQ-HOTGVXAUSA-N	1	0	364.494	1.701	20	30		FDEDRO
COC[C@@H]1C[C@H](OC)CN1C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000329140296	824624062	/nfs/dbraw/zinc/62/40/62/824624062.db2.gz	SWVWPIRBULUBPM-ROUUACIJSA-N	1	0	368.522	1.195	20	30		FDEDRO
Cc1noc([C@@H]2CN(C(=O)NC[C@H](C)[NH+]3CCC(C)CC3)CCN2C)n1	ZINC000329150907	824632686	/nfs/dbraw/zinc/63/26/86/824632686.db2.gz	ZUCKPIFJIGNYBW-HOCLYGCPSA-N	1	0	364.494	1.701	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cccc(-n4cncn4)c3)CC2)C1=O	ZINC000329156988	824633253	/nfs/dbraw/zinc/63/32/53/824633253.db2.gz	CYOFMPSSEFIQLK-QGZVFWFLSA-N	1	0	368.441	1.267	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)C3CCN(CC(F)F)CC3)CC2)C1=O	ZINC000329158292	824633950	/nfs/dbraw/zinc/63/39/50/824633950.db2.gz	DKZXAORSUCJRDG-OAHLLOKOSA-N	1	0	372.460	1.615	20	30		FDEDRO
CN1CCO[C@@H]2CN(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)C[C@H]21	ZINC000329158911	824634029	/nfs/dbraw/zinc/63/40/29/824634029.db2.gz	XEBZTVWZVAEMSC-QZTJIDSGSA-N	1	0	359.474	1.227	20	30		FDEDRO
Cn1nccc1[C@H]1[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)CCC(=O)N1C	ZINC000329160259	824637730	/nfs/dbraw/zinc/63/77/30/824637730.db2.gz	DSFBWIQJKOESDK-CRAIPNDOSA-N	1	0	359.474	1.913	20	30		FDEDRO
CCC(=O)N1CCCC[C@@H]1C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1	ZINC000329168168	824639146	/nfs/dbraw/zinc/63/91/46/824639146.db2.gz	IYTGXHNZVBPJCK-CVEARBPZSA-N	1	0	364.490	1.429	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cc(-c4cccnc4)on3)CC2)C1=O	ZINC000329181051	824651732	/nfs/dbraw/zinc/65/17/32/824651732.db2.gz	OALGEPYKFQVHSV-MRXNPFEDSA-N	1	0	369.425	1.736	20	30		FDEDRO
CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cccc(-n4ccnn4)c3)CC2)C1=O	ZINC000329197200	824661522	/nfs/dbraw/zinc/66/15/22/824661522.db2.gz	VBXWIUINHFNIPS-QGZVFWFLSA-N	1	0	368.441	1.267	20	30		FDEDRO
CN1CC[C@H]([NH+]2CCC(NC(=O)CNC(=O)c3ccccc3)CC2)C1=O	ZINC000329202860	824665232	/nfs/dbraw/zinc/66/52/32/824665232.db2.gz	XCZVCXAUKDBSRI-INIZCTEOSA-N	1	0	358.442	1.643	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1	ZINC000329214134	824672656	/nfs/dbraw/zinc/67/26/56/824672656.db2.gz	KQVOTGMTPGUNNR-XYPHTWIQSA-N	1	0	368.428	1.544	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC000984744123	824684258	/nfs/dbraw/zinc/68/42/58/824684258.db2.gz	IBQGCHREJUEYOL-JJAZEVLHSA-N	1	0	357.458	1.336	20	30		FDEDRO
COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C	ZINC000329283458	824714784	/nfs/dbraw/zinc/71/47/84/824714784.db2.gz	NJGZVGPULZKFFY-ILXRZTDVSA-N	1	0	362.478	1.732	20	30		FDEDRO
CCC(CC)C(=O)N1CCC(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1	ZINC000329351951	824750609	/nfs/dbraw/zinc/75/06/09/824750609.db2.gz	FNYDCXOKWRSNOG-QGZVFWFLSA-N	1	0	367.538	1.163	20	30		FDEDRO
CC(C)c1nc([C@@H]2CCCN(C(=O)NC[C@H]3C[N@H+](C)CCN3C)C2)no1	ZINC000329442963	824794991	/nfs/dbraw/zinc/79/49/91/824794991.db2.gz	LGPQKJPGXCXMSX-CABCVRRESA-N	1	0	364.494	1.532	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)N3CCOCC4(CC4)C3)cn2)CC1	ZINC000329459586	824806621	/nfs/dbraw/zinc/80/66/21/824806621.db2.gz	OXENQJWPTMRRIW-UHFFFAOYSA-N	1	0	359.474	1.360	20	30		FDEDRO
COCc1nc2n(n1)C[C@@H]([NH+]=C([O-])N(C)C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2	ZINC000329511712	824844566	/nfs/dbraw/zinc/84/45/66/824844566.db2.gz	CCJOVBBMWDMJQZ-RDGKXADDSA-N	1	0	362.478	1.210	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)C1CC[NH+](C)CC1	ZINC000984778257	824861521	/nfs/dbraw/zinc/86/15/21/824861521.db2.gz	FQWZQOUZQWPKMO-DOTOQJQBSA-N	1	0	357.458	1.337	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@H]4CCNC4=O)C[C@@H]3C2)c1	ZINC001087990924	824943739	/nfs/dbraw/zinc/94/37/39/824943739.db2.gz	YXPBFEHEEWLAAP-QRVBRYPASA-N	1	0	366.465	1.365	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2noc3c2COCC3)C1	ZINC000984825776	825032268	/nfs/dbraw/zinc/03/22/68/825032268.db2.gz	FPMCASUJWIBKTB-WBOJAVRRSA-N	1	0	361.442	1.323	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnc(OC)nc2C)C1	ZINC000984826018	825032912	/nfs/dbraw/zinc/03/29/12/825032912.db2.gz	KTNQVXASMNWRQV-DZUCGIPZSA-N	1	0	360.458	1.369	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)C1	ZINC000984826297	825033194	/nfs/dbraw/zinc/03/31/94/825033194.db2.gz	PYHKRWDDNPQWLH-TUVASFSCSA-N	1	0	361.490	1.678	20	30		FDEDRO
C[N@H+](Cc1ccc(OCC#N)cc1)C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1	ZINC000985649208	828731194	/nfs/dbraw/zinc/73/11/94/828731194.db2.gz	DHCAIHSYTYWSLZ-MSOLQXFVSA-N	1	0	370.453	1.133	20	30		FDEDRO
CC(C)(C(N)=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)CC[C@@H]2C1	ZINC001088001298	825119778	/nfs/dbraw/zinc/11/97/78/825119778.db2.gz	CREFQBPMLLAMKB-SJORKVTESA-N	1	0	354.454	1.350	20	30		FDEDRO
Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001088004602	825129772	/nfs/dbraw/zinc/12/97/72/825129772.db2.gz	JURPNANCJNTCDQ-MSOLQXFVSA-N	1	0	364.449	1.869	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21	ZINC000525902606	828752343	/nfs/dbraw/zinc/75/23/43/828752343.db2.gz	YBNNIMCPLNXUOH-GDBMZVCRSA-N	1	0	356.426	1.448	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H]3C[N@H+]([C@@H](C)C(=O)NC)CC[C@@H]3C2)cc1	ZINC001088016605	825273883	/nfs/dbraw/zinc/27/38/83/825273883.db2.gz	NKHZYNMQRWYJSJ-JQHSSLGASA-N	1	0	371.481	1.780	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4(F)CCCC4)C[C@@H]3C2)C1=O	ZINC001088020548	825316485	/nfs/dbraw/zinc/31/64/85/825316485.db2.gz	QKACNRHNVCYBJS-IKGGRYGDSA-N	1	0	363.477	1.836	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCCOC)C[C@H]1C(F)(F)F	ZINC001112173860	825327472	/nfs/dbraw/zinc/32/74/72/825327472.db2.gz	RNKRNAMXWXEYBZ-BFHYXJOUSA-N	1	0	352.397	1.983	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C2CCS(=O)(=O)CC2)C[C@H]1C(F)(F)F	ZINC001112173872	825351077	/nfs/dbraw/zinc/35/10/77/825351077.db2.gz	RZGOMVMYYZSUFW-CHWSQXEVSA-N	1	0	368.421	1.366	20	30		FDEDRO
COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@@H]2C1	ZINC001088022927	825358546	/nfs/dbraw/zinc/35/85/46/825358546.db2.gz	GTVBRQMDCLCNHO-ZBFHGGJFSA-N	1	0	366.425	1.279	20	30		FDEDRO
Cc1c(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)cccc1N1C(=O)N[C@H](C)C1=O	ZINC000329722118	825382018	/nfs/dbraw/zinc/38/20/18/825382018.db2.gz	NHLOSOOPDXZQAN-CJNGLKHVSA-N	1	0	371.441	1.622	20	30		FDEDRO
C[NH+]=C(N[C@@H]1C[C@](C)(OC)C1(C)C)N1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000262338419	825387932	/nfs/dbraw/zinc/38/79/32/825387932.db2.gz	CEPAPAKSTIBIFD-CLCXKQKWSA-N	1	0	366.506	1.089	20	30		FDEDRO
CC(=O)N1CCC(NC(=O)C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)CC1	ZINC000329730728	825405724	/nfs/dbraw/zinc/40/57/24/825405724.db2.gz	DGUDLJGWLNGPRA-UYAOXDASSA-N	1	0	358.486	1.989	20	30		FDEDRO
C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCN3CCOC[C@H]3C2)CC1	ZINC000329790747	825458105	/nfs/dbraw/zinc/45/81/05/825458105.db2.gz	UCERYRBZADYNGU-VQIMIIECSA-N	1	0	373.501	1.537	20	30		FDEDRO
COc1ccc(C(=O)N2CCN(C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)cc1	ZINC000329815217	825477760	/nfs/dbraw/zinc/47/77/60/825477760.db2.gz	VBPNUAPZWKZKKH-NVXWUHKLSA-N	1	0	374.485	1.850	20	30		FDEDRO
Cc1nc(CN2CCN(C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@@H]3C)CC2)oc1C	ZINC000329819289	825479881	/nfs/dbraw/zinc/47/98/81/825479881.db2.gz	GBKWVYQKIPDUSM-SUMWQHHRSA-N	1	0	361.490	1.806	20	30		FDEDRO
C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1	ZINC000329827196	825487772	/nfs/dbraw/zinc/48/77/72/825487772.db2.gz	ISOKGWAOSYNFNE-HUUCEWRRSA-N	1	0	374.489	1.039	20	30		FDEDRO
C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1	ZINC000329827197	825488092	/nfs/dbraw/zinc/48/80/92/825488092.db2.gz	ISOKGWAOSYNFNE-LSDHHAIUSA-N	1	0	374.489	1.039	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCc3ccccc3C2=O)C1	ZINC000329842494	825498717	/nfs/dbraw/zinc/49/87/17/825498717.db2.gz	OYPRHZVHBGEERW-QGZVFWFLSA-N	1	0	359.470	1.998	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3ccc(C(N)=O)cc3)C[C@@H]2C1	ZINC001088040313	825540356	/nfs/dbraw/zinc/54/03/56/825540356.db2.gz	KTNADCNCPWCDIZ-MOPGFXCFSA-N	1	0	353.466	1.522	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@H]2C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@]2(C)C1	ZINC001101379138	825549337	/nfs/dbraw/zinc/54/93/37/825549337.db2.gz	XIYQAOWHWYQAOU-QAPCUYQASA-N	1	0	371.547	1.260	20	30		FDEDRO
CC[NH+]1CCN(c2cccc(NC(=O)N3C[C@H](CO)O[C@@H](C)C3)c2)CC1	ZINC000329938447	825552917	/nfs/dbraw/zinc/55/29/17/825552917.db2.gz	FBFKKIFUUFTLBO-MAUKXSAKSA-N	1	0	362.474	1.456	20	30		FDEDRO
Cn1cc([C@@]2(C)CN(CC(=O)NC3CC[NH+](C4CC4)CC3)CCO2)cn1	ZINC000329938244	825553418	/nfs/dbraw/zinc/55/34/18/825553418.db2.gz	LVFCKJPGJLMDBD-LJQANCHMSA-N	1	0	361.490	1.551	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)NC(C)C)C2)CC1	ZINC000329954146	825562025	/nfs/dbraw/zinc/56/20/25/825562025.db2.gz	OFKLWPOQRNUBGS-IRXDYDNUSA-N	1	0	365.522	1.012	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN(C)[C@H](c3nccn3C)C2)C1	ZINC000329976632	825573411	/nfs/dbraw/zinc/57/34/11/825573411.db2.gz	YVPSWENSTJWEEP-SJORKVTESA-N	1	0	362.522	1.601	20	30		FDEDRO
Cc1noc(CN2CCN(C(=O)NC3CC([NH+]4CCCCC4)C3)CC2)n1	ZINC000329988366	825579973	/nfs/dbraw/zinc/57/99/73/825579973.db2.gz	HBMUKAGIDJVMIV-UHFFFAOYSA-N	1	0	362.478	1.427	20	30		FDEDRO
Cn1ccnc1[C@H]1CN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CCN1C	ZINC000329999843	825586566	/nfs/dbraw/zinc/58/65/66/825586566.db2.gz	VLHIIXGQAYDKJB-DLBZAZTESA-N	1	0	360.506	1.640	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cnoc3-c3cnn(C)c3)C[C@@H]2C1	ZINC001088052164	825630667	/nfs/dbraw/zinc/63/06/67/825630667.db2.gz	ATVSXUWSPMNNKW-ZBFHGGJFSA-N	1	0	353.426	1.492	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3c3nccs3)C[C@@H]2C1	ZINC001088053348	825643162	/nfs/dbraw/zinc/64/31/62/825643162.db2.gz	DSEACTSYIHVFJX-IXDOHACOSA-N	1	0	358.511	1.916	20	30		FDEDRO
Cn1cc(CN2CCN(C(=O)NC3CC[NH+](C4CCCC4)CC3)CC2)cn1	ZINC000330126167	825658995	/nfs/dbraw/zinc/65/89/95/825658995.db2.gz	MGDCZXMQFVJOIB-UHFFFAOYSA-N	1	0	374.533	1.859	20	30		FDEDRO
C[C@H](NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1nnc2n1CCCC2	ZINC000330136175	825666885	/nfs/dbraw/zinc/66/68/85/825666885.db2.gz	NDCDKNGMRICUCK-GJZGRUSLSA-N	1	0	362.478	1.244	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1	ZINC000330159332	825693730	/nfs/dbraw/zinc/69/37/30/825693730.db2.gz	QNHWWYZMERCIHE-QXAKKESOSA-N	1	0	360.502	1.904	20	30		FDEDRO
Cc1cccc(NC(=O)NCC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1	ZINC000330182747	825709477	/nfs/dbraw/zinc/70/94/77/825709477.db2.gz	HMVUCTFTGOSZGU-MRXNPFEDSA-N	1	0	360.458	1.502	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N[C@H]1CCn2ccnc2C1	ZINC000330202190	825731039	/nfs/dbraw/zinc/73/10/39/825731039.db2.gz	YYKDDERJGCWUMQ-BBWFWOEESA-N	1	0	361.490	1.469	20	30		FDEDRO
Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C	ZINC000330257701	825769800	/nfs/dbraw/zinc/76/98/00/825769800.db2.gz	LTSBNCDEXWITIH-CJNGLKHVSA-N	1	0	362.478	1.521	20	30		FDEDRO
Cc1c([C@@H]2[C@H](C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC(=O)N2C)cnn1C	ZINC000330294073	825818753	/nfs/dbraw/zinc/81/87/53/825818753.db2.gz	IHBPUICUBLYRCT-KBEGMRNHSA-N	1	0	359.474	1.831	20	30		FDEDRO
[O-]C(=[NH+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCC(n2ccnc2)CC1	ZINC000330298951	825826505	/nfs/dbraw/zinc/82/65/05/825826505.db2.gz	HSTGASCHKUVKNE-QZTJIDSGSA-N	1	0	361.490	1.812	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)C1=O	ZINC000281207250	825910023	/nfs/dbraw/zinc/91/00/23/825910023.db2.gz	AKGRYWAPZWTJFF-MRXNPFEDSA-N	1	0	373.457	1.098	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1cccnc1N1CC[NH+](C)CC1	ZINC000281338162	825940769	/nfs/dbraw/zinc/94/07/69/825940769.db2.gz	CXBFQAFRNCNJFV-WMZOPIPTSA-N	1	0	373.501	1.614	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C[C@@H]2C1	ZINC001088072811	825973142	/nfs/dbraw/zinc/97/31/42/825973142.db2.gz	ASCPQTZXBPYMDP-RMMWZPCPSA-N	1	0	351.450	1.731	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C(C)(C)C4CC4)C[C@@H]3C2)C1=O	ZINC001088075001	825990505	/nfs/dbraw/zinc/99/05/05/825990505.db2.gz	OLRZLSWGHHUABO-SOLBZPMBSA-N	1	0	359.514	1.990	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)Cc3ccc[nH]3)[C@@H]2CC)CC1	ZINC000984987969	825998523	/nfs/dbraw/zinc/99/85/23/825998523.db2.gz	BIBPSPJRWMVMEL-RBUKOAKNSA-N	1	0	370.497	1.398	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3ccncc3)[C@@H]2CC)CC1	ZINC000984992274	826025019	/nfs/dbraw/zinc/02/50/19/826025019.db2.gz	LSJOAEGEPFDUAO-RBUKOAKNSA-N	1	0	368.481	1.536	20	30		FDEDRO
C=CCN1CC[C@H](N(C)C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1=O	ZINC000281707748	826177604	/nfs/dbraw/zinc/17/76/04/826177604.db2.gz	MODOODAWPPTSSH-IBGZPJMESA-N	1	0	370.497	1.293	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1	ZINC000281855200	826281363	/nfs/dbraw/zinc/28/13/63/826281363.db2.gz	SLHRXPRDSVCFDP-CRAIPNDOSA-N	1	0	360.458	1.903	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1	ZINC000281855212	826281496	/nfs/dbraw/zinc/28/14/96/826281496.db2.gz	SLHRXPRDSVCFDP-YJBOKZPZSA-N	1	0	360.458	1.903	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)CC(C)(F)F)C[C@@H]3C2)C1=O	ZINC001088095377	826357862	/nfs/dbraw/zinc/35/78/62/826357862.db2.gz	KXYMGTOVJCGMBY-QLFBSQMISA-N	1	0	355.429	1.599	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(Cc3ccn(CC)n3)C[C@H]2C1	ZINC001088113289	826445378	/nfs/dbraw/zinc/44/53/78/826445378.db2.gz	ZWJBUQNAZWQIPR-JFRXWTBNSA-N	1	0	358.486	1.774	20	30		FDEDRO
C=C(Cl)CN1CC[C@@H]2CN(C(=O)c3c(C)nn(C)c3OC)C[C@@H]2C1	ZINC001088126397	826528576	/nfs/dbraw/zinc/52/85/76/826528576.db2.gz	CHFCDGQDNPBDIR-KGLIPLIRSA-N	1	0	352.866	1.884	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4cnoc4C)CC[C@@H]3C2)nn1	ZINC001088133247	826571754	/nfs/dbraw/zinc/57/17/54/826571754.db2.gz	YFZTXMAWVYKBPI-ZBFHGGJFSA-N	1	0	356.430	1.355	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2CC)c1	ZINC000985164444	826664603	/nfs/dbraw/zinc/66/46/03/826664603.db2.gz	QFPHKMWKNRMVRP-ZWKOTPCHSA-N	1	0	366.465	1.268	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)[C@H]2CC)cn1	ZINC000985168416	826682630	/nfs/dbraw/zinc/68/26/30/826682630.db2.gz	RRHZUZJPRIRSMN-AYOQOUSVSA-N	1	0	368.481	1.514	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4ncc[nH]4)C[C@@H]3C2)s1	ZINC001088152037	826805029	/nfs/dbraw/zinc/80/50/29/826805029.db2.gz	JHJFWHTWMGZEPS-KGLIPLIRSA-N	1	0	355.467	1.866	20	30		FDEDRO
C#CCN1C(=O)c2ccccc2NC12CC[NH+](CCN1CCOCC1)CC2	ZINC000840790828	826880084	/nfs/dbraw/zinc/88/00/84/826880084.db2.gz	ZAHZIWDAYDCJMW-UHFFFAOYSA-N	1	0	368.481	1.312	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(C[C@H]4CCOC4)nn3)C[C@@H]2C1	ZINC001088155008	826883614	/nfs/dbraw/zinc/88/36/14/826883614.db2.gz	QXHPQFUUIIGJFB-ZACQAIPSSA-N	1	0	359.474	1.285	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2CC)cn1	ZINC000985211554	826919291	/nfs/dbraw/zinc/91/92/91/826919291.db2.gz	FYYQANCHYRZOGS-BPQIPLTHSA-N	1	0	354.454	1.124	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2CC)nc1	ZINC000985209526	826928719	/nfs/dbraw/zinc/92/87/19/826928719.db2.gz	CYRHYDGBTZNRPU-JENIJYKNSA-N	1	0	368.481	1.514	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]nc3-c3cnn(C)c3)C[C@@H]2C1	ZINC001088166603	826949684	/nfs/dbraw/zinc/94/96/84/826949684.db2.gz	JRYVTPUNHCDUQO-ZBFHGGJFSA-N	1	0	352.442	1.227	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3nc4nc(C)cc(C)n4n3)C[C@@H]2C1	ZINC001088190179	827342039	/nfs/dbraw/zinc/34/20/39/827342039.db2.gz	MNDBOTRPBVMRBE-CVEARBPZSA-N	1	0	354.458	1.711	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)C[NH+]1CCC(C)CC1	ZINC000987533263	833201255	/nfs/dbraw/zinc/20/12/55/833201255.db2.gz	UJZJFSASAOJYKJ-ZBFHGGJFSA-N	1	0	357.458	1.337	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3CC(F)(F)F)C[C@@H]2C1	ZINC001088212755	827506951	/nfs/dbraw/zinc/50/69/51/827506951.db2.gz	NTSDPIQDUYWXTM-PMPSAXMXSA-N	1	0	357.420	1.817	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1	ZINC001088235542	827607748	/nfs/dbraw/zinc/60/77/48/827607748.db2.gz	VJBZJCMMYGBMBP-BHIYHBOVSA-N	1	0	365.518	1.221	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1	ZINC001088235543	827607843	/nfs/dbraw/zinc/60/78/43/827607843.db2.gz	VJBZJCMMYGBMBP-NZSAHSFTSA-N	1	0	365.518	1.221	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CO[C@H]2CC[N@@H+](CCOC)C2)CC1	ZINC001088238143	827644520	/nfs/dbraw/zinc/64/45/20/827644520.db2.gz	MLEOKGGXPRZPCZ-OTWHNJEPSA-N	1	0	366.502	1.553	20	30		FDEDRO
CCO[C@@H]1C[C@@H](NC(=[NH2+])N2CCN(c3ncccn3)CC2)C12CCCC2	ZINC000262506270	827681805	/nfs/dbraw/zinc/68/18/05/827681805.db2.gz	BJUHBFMRDMWMDM-HZPDHXFCSA-N	1	0	358.490	1.651	20	30		FDEDRO
C[NH+](C)CCCOC1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)CC1	ZINC000866920534	827742203	/nfs/dbraw/zinc/74/22/03/827742203.db2.gz	UOPCKMOXWPKGSB-UHFFFAOYSA-N	1	0	369.462	1.819	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2CC)c1	ZINC000985433907	827823190	/nfs/dbraw/zinc/82/31/90/827823190.db2.gz	NFUVCKKSZAQDNN-KSZLIROESA-N	1	0	356.470	1.512	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2CC)c1	ZINC000985437445	827829391	/nfs/dbraw/zinc/82/93/91/827829391.db2.gz	XPMHHPITRPNKRF-RBUKOAKNSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1C(F)(F)F	ZINC001112185473	827906109	/nfs/dbraw/zinc/90/61/09/827906109.db2.gz	GNOGGURTECNFRS-IACUBPJLSA-N	1	0	361.408	1.846	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2cn(C)nc2C)C1	ZINC001029740938	827961551	/nfs/dbraw/zinc/96/15/51/827961551.db2.gz	FHJSSOIZKOGBJH-QRQLOZEOSA-N	1	0	360.502	1.990	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)n(CCC#N)n1	ZINC000527353867	829041958	/nfs/dbraw/zinc/04/19/58/829041958.db2.gz	KIDSGSVPZJTGHX-MRXNPFEDSA-N	1	0	372.473	1.521	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NCc1ccccc1	ZINC001168095514	829109506	/nfs/dbraw/zinc/10/95/06/829109506.db2.gz	RSGUMSFMKIARAA-HKUYNNGSSA-N	1	0	359.470	1.380	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCC[C@@H](C)C1	ZINC001168101150	829226236	/nfs/dbraw/zinc/22/62/36/829226236.db2.gz	ONJOUUUGYNQRHH-RYRKJORJSA-N	1	0	351.491	1.322	20	30		FDEDRO
C[C@@H]1C[C@@]1(C#N)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000448935148	829312916	/nfs/dbraw/zinc/31/29/16/829312916.db2.gz	GSAUUSDJUQYYRH-LIVBEALHSA-N	1	0	354.454	1.550	20	30		FDEDRO
C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1	ZINC001088381761	829319609	/nfs/dbraw/zinc/31/96/09/829319609.db2.gz	LRUZCALSHSKDGY-KSZLIROESA-N	1	0	363.502	1.703	20	30		FDEDRO
O=C1c2ccccc2C(=O)N1CC#CC[NH+]1CCC(C2OCCO2)CC1	ZINC000528369084	829374289	/nfs/dbraw/zinc/37/42/89/829374289.db2.gz	QCBGFBVHBNVTQN-UHFFFAOYSA-N	1	0	354.406	1.371	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCc2ccnn2C)C1	ZINC001088385563	829381856	/nfs/dbraw/zinc/38/18/56/829381856.db2.gz	NDIFBKKMRNZNMH-QRQLOZEOSA-N	1	0	360.502	1.915	20	30		FDEDRO
C[N@H+](C[C@H](O)COc1ccccc1C#N)C1CCN(c2cnccn2)CC1	ZINC000528491214	829432441	/nfs/dbraw/zinc/43/24/41/829432441.db2.gz	ZCLBYSWIPBMZEG-SFHVURJKSA-N	1	0	367.453	1.689	20	30		FDEDRO
Cc1noc(C[C@]2(O)CCC[N@H+](C[C@@H](O)COc3ccccc3C#N)C2)n1	ZINC000528528379	829436589	/nfs/dbraw/zinc/43/65/89/829436589.db2.gz	NSEHLPKMMKAZMT-VQIMIIECSA-N	1	0	372.425	1.059	20	30		FDEDRO
N#Cc1c(F)cccc1N1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1	ZINC000529354583	829843006	/nfs/dbraw/zinc/84/30/06/829843006.db2.gz	FKUDOEHAKJVLLL-QGZVFWFLSA-N	1	0	357.433	1.814	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3CCC(CC[NH2+]C)CC3)cc2C1=O	ZINC000262038550	837401455	/nfs/dbraw/zinc/40/14/55/837401455.db2.gz	KWEDJRYVXJLTKV-UHFFFAOYSA-N	1	0	355.438	1.930	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2Cc3cccnc3C2)C[C@H]1C(F)(F)F	ZINC001112199600	829905297	/nfs/dbraw/zinc/90/52/97/829905297.db2.gz	ZHIPAFLZJSNECG-SQWLQELKSA-N	1	0	351.372	1.799	20	30		FDEDRO
N#Cc1ccc(CC(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)cn1	ZINC000529489850	829911361	/nfs/dbraw/zinc/91/13/61/829911361.db2.gz	IMBRVZHLHURTAG-UHFFFAOYSA-N	1	0	364.449	1.639	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)cc1	ZINC000450369613	829940455	/nfs/dbraw/zinc/94/04/55/829940455.db2.gz	QRHXPTKGTSRMED-UHFFFAOYSA-N	1	0	374.481	1.480	20	30		FDEDRO
Cn1c(C#N)ccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000450447752	829967405	/nfs/dbraw/zinc/96/74/05/829967405.db2.gz	XQOBFXHTYNZGKI-SJLPKXTDSA-N	1	0	352.438	1.510	20	30		FDEDRO
C#CC[N@H+]1CCC[C@H]1COC(=O)[C@H]1CCCN1C(=O)Cc1cccs1	ZINC000729812603	837436997	/nfs/dbraw/zinc/43/69/97/837436997.db2.gz	YFVFBJUBMCMQOL-DOTOQJQBSA-N	1	0	360.479	1.922	20	30		FDEDRO
CN(CC(=O)N(CCC#N)CCC#N)C1CC[NH+](CCC(F)(F)F)CC1	ZINC000452114176	830542643	/nfs/dbraw/zinc/54/26/43/830542643.db2.gz	JGKHAIKKZMPHGR-UHFFFAOYSA-N	1	0	373.423	1.991	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1	ZINC000986081860	830576225	/nfs/dbraw/zinc/57/62/25/830576225.db2.gz	GJKWVIBVUGGKFA-CEXWTWQISA-N	1	0	357.498	1.581	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2C1	ZINC000986083086	830585790	/nfs/dbraw/zinc/58/57/90/830585790.db2.gz	LKEVTWVOUFXJRQ-CEXWTWQISA-N	1	0	355.482	1.049	20	30		FDEDRO
N#Cc1cccc(-c2cc(C(=O)NC[C@@H]3CCC[N@H+]3CCCO)on2)c1	ZINC000452376821	830638459	/nfs/dbraw/zinc/63/84/59/830638459.db2.gz	ZKHFAFAPGGXWHN-INIZCTEOSA-N	1	0	354.410	1.790	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@H]1C(F)(F)F	ZINC001112203861	830887728	/nfs/dbraw/zinc/88/77/28/830887728.db2.gz	NORCQXQUWRXBLH-GHMZBOCLSA-N	1	0	371.363	1.134	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)ccc1C#N	ZINC000453597414	830953364	/nfs/dbraw/zinc/95/33/64/830953364.db2.gz	HUINQTGFSZLHPE-UHFFFAOYSA-N	1	0	355.442	1.677	20	30		FDEDRO
N#CCc1cccc(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1	ZINC000453661561	830992535	/nfs/dbraw/zinc/99/25/35/830992535.db2.gz	BDDZSDBGKVAUGG-KRWDZBQOSA-N	1	0	370.453	1.262	20	30		FDEDRO
Cc1nc(NC(=O)C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)ccc1C#N	ZINC000453770909	831065789	/nfs/dbraw/zinc/06/57/89/831065789.db2.gz	YSXNNZRYVNDDDD-CYBMUJFWSA-N	1	0	355.442	1.533	20	30		FDEDRO
CC[NH+]=C(NC[C@H]1CCOc2ccccc21)N1CCN(C2CC2)C(=O)C1	ZINC000262752478	831251799	/nfs/dbraw/zinc/25/17/99/831251799.db2.gz	AEOQATGOMXHFHQ-OAHLLOKOSA-N	1	0	356.470	1.825	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)[C@H](F)CC)CC[C@@H]3C2)CC1	ZINC000986244934	831353766	/nfs/dbraw/zinc/35/37/66/831353766.db2.gz	DXRXDQNPXCZDPU-FGTMMUONSA-N	1	0	363.477	1.387	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]2C1	ZINC000986247177	831360388	/nfs/dbraw/zinc/36/03/88/831360388.db2.gz	XHNNSZWUGMLWKQ-NUJGCVRESA-N	1	0	368.481	1.828	20	30		FDEDRO
C[NH+](C)[C@H](C(=O)N1C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CC[C@@H]2C1)C1CC1	ZINC000986261533	831397730	/nfs/dbraw/zinc/39/77/30/831397730.db2.gz	NGBBDGOZOQLLAY-VKJFTORMSA-N	1	0	369.469	1.147	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]2C1	ZINC000986281963	831428250	/nfs/dbraw/zinc/42/82/50/831428250.db2.gz	FDEKCKUVXKHRKV-MSOLQXFVSA-N	1	0	370.497	1.690	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@H]2C1	ZINC000986411277	831635803	/nfs/dbraw/zinc/63/58/03/831635803.db2.gz	ONDSPNGXKUWPMO-DYXWJJEUSA-N	1	0	369.509	1.581	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)Cc2ccon2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088498615	831820425	/nfs/dbraw/zinc/82/04/25/831820425.db2.gz	IPPUDPPUJRXYOL-KDOFPFPSSA-N	1	0	354.410	1.899	20	30		FDEDRO
CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CSCC#N)C1	ZINC001111602975	831874418	/nfs/dbraw/zinc/87/44/18/831874418.db2.gz	YCPAHXXXMTWLPN-BQFCYCMXSA-N	1	0	369.531	1.247	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)CCC)C[C@H]1C(F)(F)F	ZINC001112207806	831945413	/nfs/dbraw/zinc/94/54/13/831945413.db2.gz	HKBDLSWKRKIMFI-CHWSQXEVSA-N	1	0	370.437	1.756	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)CCC[NH+](C)C)C1	ZINC001059729095	831948545	/nfs/dbraw/zinc/94/85/45/831948545.db2.gz	LTFCIENHFAJTIM-KSZLIROESA-N	1	0	365.518	1.664	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)CC[C@@H]2C1	ZINC000986594904	832000212	/nfs/dbraw/zinc/00/02/12/832000212.db2.gz	XCCDMHUDTUCQIG-LZWOXQAQSA-N	1	0	358.442	1.421	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3nnn(C)c31)C2	ZINC001111523874	832014292	/nfs/dbraw/zinc/01/42/92/832014292.db2.gz	PLNOTVUCILFKGB-XYPHTWIQSA-N	1	0	355.442	1.506	20	30		FDEDRO
C=CCCOCC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001059732195	832049534	/nfs/dbraw/zinc/04/95/34/832049534.db2.gz	MDOZSVBGPOJUTE-BRWVUGGUSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCOC)C1	ZINC001112216162	832375683	/nfs/dbraw/zinc/37/56/83/832375683.db2.gz	UGBSGHSIFFYRMJ-BFHYXJOUSA-N	1	0	368.396	1.219	20	30		FDEDRO
[NH2+]=C(NCC(=O)NCc1ccco1)N1CCN(c2ccc(F)cc2)CC1	ZINC000263109703	832438678	/nfs/dbraw/zinc/43/86/78/832438678.db2.gz	DJYWWJULSHWWCA-UHFFFAOYSA-N	1	0	359.405	1.172	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C[C@H](O)Cc1ccc(F)cc1	ZINC001088529371	832453905	/nfs/dbraw/zinc/45/39/05/832453905.db2.gz	SIULPQNESMOSMC-XWIAVFTESA-N	1	0	370.428	1.822	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCNS(C)(=O)=O)C1	ZINC001112536989	832547544	/nfs/dbraw/zinc/54/75/44/832547544.db2.gz	KGBLXOFATMCAQA-YJBOKZPZSA-N	1	0	371.547	1.356	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)Cc2cncnc2)CCN1Cc1ccc(F)c(C#N)c1	ZINC001088544772	832572803	/nfs/dbraw/zinc/57/28/03/832572803.db2.gz	WKIFRYRDMPSWHO-ACJLOTCBSA-N	1	0	353.401	1.809	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3ccc(F)cc3)[C@H]2C)CC1	ZINC000987227944	832667225	/nfs/dbraw/zinc/66/72/25/832667225.db2.gz	NHLVOINPUSAQBU-BEFAXECRSA-N	1	0	371.456	1.890	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)CC[NH+]1CCCCC1	ZINC000987624234	833501763	/nfs/dbraw/zinc/50/17/63/833501763.db2.gz	FBRADBRLLGUIAC-ZBFHGGJFSA-N	1	0	357.458	1.482	20	30		FDEDRO
C[C@H]1CN(C(=O)C(=O)NCc2cccc(C#N)c2)CCN1c1cc[nH+]cc1	ZINC000897434623	833648729	/nfs/dbraw/zinc/64/87/29/833648729.db2.gz	XAHVBEPDRBJMTD-HNNXBMFYSA-N	1	0	363.421	1.307	20	30		FDEDRO
Cn1cc(-c2cccc(CNC(=[NH2+])NCCCN3CCOCC3)c2)cn1	ZINC000305652419	834573004	/nfs/dbraw/zinc/57/30/04/834573004.db2.gz	DQJYSQAUNCFUCH-UHFFFAOYSA-N	1	0	356.474	1.214	20	30		FDEDRO
C[C@@H]1C[NH+](CC2CCN(CC(=O)N[C@@](C)(C#N)C3CC3)CC2)C[C@@H](C)O1	ZINC000332722262	834765434	/nfs/dbraw/zinc/76/54/34/834765434.db2.gz	HBZBFGSVEJROEK-QINHECLXSA-N	1	0	362.518	1.616	20	30		FDEDRO
N#Cc1cc(CN2C[C@@H](NC(=O)[C@H]3CCCOCC3)[C@@H](O)C2)ccc1F	ZINC001083434656	835056238	/nfs/dbraw/zinc/05/62/38/835056238.db2.gz	MMCKMYQFSAXIHM-QGTPRVQTSA-N	1	0	361.417	1.175	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3oc(C)cc3C)[C@@H]2C)CC1	ZINC000988506255	835656780	/nfs/dbraw/zinc/65/67/80/835656780.db2.gz	KFCJKKPDJRBROK-AEFFLSMTSA-N	1	0	371.481	1.961	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCCNC4=O)[C@@H]3C2)c1	ZINC001075910792	835850213	/nfs/dbraw/zinc/85/02/13/835850213.db2.gz	KPURYOMJTJEFMJ-OKZBNKHCSA-N	1	0	352.438	1.117	20	30		FDEDRO
C=C(Br)CN1CC[C@H](NC(=O)[C@H]2CC(=O)N(CC)C2)[C@H]1C	ZINC001088602560	835951554	/nfs/dbraw/zinc/95/15/54/835951554.db2.gz	KNJJTGXBWYKDJS-AGIUHOORSA-N	1	0	358.280	1.342	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cccc(OC)c2)C[C@H]1OC	ZINC001211992506	835973764	/nfs/dbraw/zinc/97/37/64/835973764.db2.gz	QBUZDQJDICSCKB-ATZDWAIDSA-N	1	0	362.470	1.992	20	30		FDEDRO
CC(C)(Cc1ccc(C#N)cc1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC000455340283	836005859	/nfs/dbraw/zinc/00/58/59/836005859.db2.gz	VTOLXMGLBQJXAK-SFHVURJKSA-N	1	0	370.497	1.831	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CN(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000988652275	836549961	/nfs/dbraw/zinc/54/99/61/836549961.db2.gz	YWVSYOPKHRGLPZ-SQNIBIBYSA-N	1	0	363.502	1.369	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@H]3CCC3(F)F)[C@H]2C)CC1	ZINC000988698680	836740589	/nfs/dbraw/zinc/74/05/89/836740589.db2.gz	FJQCORFZIYHDIQ-BMFZPTHFSA-N	1	0	367.440	1.483	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1	ZINC000938021615	836975441	/nfs/dbraw/zinc/97/54/41/836975441.db2.gz	NJGIOXFFLAPNFU-XSLAGTTESA-N	1	0	365.518	1.661	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1	ZINC000938034171	837067696	/nfs/dbraw/zinc/06/76/96/837067696.db2.gz	SYJBLLAVWSQZGD-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](OC)C2CCC2)C[C@H]1OC	ZINC001212092619	837106620	/nfs/dbraw/zinc/10/66/20/837106620.db2.gz	JOFVIRLJFBGPAN-KZNAEPCWSA-N	1	0	354.491	1.600	20	30		FDEDRO
C=CCN(C(=O)[C@@H]1CC[C@H](C[NH3+])O1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000261807813	837307634	/nfs/dbraw/zinc/30/76/34/837307634.db2.gz	ONWBNYFZCRVYDV-XKQJLSEDSA-N	1	0	356.430	1.244	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000989018261	838170505	/nfs/dbraw/zinc/17/05/05/838170505.db2.gz	GHGHFVBSMAJTAQ-SKDZVZGDSA-N	1	0	369.469	1.480	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1	ZINC000989071541	838277107	/nfs/dbraw/zinc/27/71/07/838277107.db2.gz	XLJSEUVMHYGKAX-HZMVEIRTSA-N	1	0	351.491	1.415	20	30		FDEDRO
C[C@@H](NC(=O)CNc1ccc(C#N)cc1)C(=O)NCC[NH+]1CCCCC1	ZINC000508695993	838353987	/nfs/dbraw/zinc/35/39/87/838353987.db2.gz	SLBMLGOWEUQPOJ-OAHLLOKOSA-N	1	0	357.458	1.077	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C)nc1	ZINC000989163136	838544687	/nfs/dbraw/zinc/54/46/87/838544687.db2.gz	AMGIDKQBVDWOLR-UXLLHSPISA-N	1	0	354.454	1.266	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C)cc1	ZINC000989215797	838738229	/nfs/dbraw/zinc/73/82/29/838738229.db2.gz	ZJYIBLLIOWXMPF-SUMDDJOVSA-N	1	0	353.466	1.729	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@@H](C[NH+]3CCCC3)C2)CC1	ZINC000245563138	844375586	/nfs/dbraw/zinc/37/55/86/844375586.db2.gz	PJORYMRADTVABO-OALUTQOASA-N	1	0	361.534	1.096	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC(=O)N2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088646448	838897754	/nfs/dbraw/zinc/89/77/54/838897754.db2.gz	VUHNQJWFGYGHFW-FHLIZLRMSA-N	1	0	370.453	1.337	20	30		FDEDRO
CC#CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1OC[C@@H]3CCC[C@@H]31)CCO2	ZINC001105474393	838940406	/nfs/dbraw/zinc/94/04/06/838940406.db2.gz	GLMAUIDLCXMIEV-LIXPZXCDSA-N	1	0	360.498	1.955	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1	ZINC000459826996	838971344	/nfs/dbraw/zinc/97/13/44/838971344.db2.gz	XLEFKGHRFPUCJW-UHFFFAOYSA-N	1	0	364.534	1.428	20	30		FDEDRO
C[NH+](C)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(C#N)o1	ZINC000460036492	839244619	/nfs/dbraw/zinc/24/46/19/839244619.db2.gz	OBPAKZUEHIUFHL-KRWDZBQOSA-N	1	0	366.421	1.396	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1	ZINC000989289257	839284826	/nfs/dbraw/zinc/28/48/26/839284826.db2.gz	DEXKWVPZYUKRPI-XWTMOSNGSA-N	1	0	365.518	1.661	20	30		FDEDRO
C=CCN1CC[C@@H](N2CC[C@H](NC(=O)c3cc(C)nnc3CC)[C@H]2C)C1=O	ZINC001088677361	839594858	/nfs/dbraw/zinc/59/48/58/839594858.db2.gz	IGYXJTNRJRSOOE-FHLIZLRMSA-N	1	0	371.485	1.327	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(=O)c3ccccc3o2)c1C#N	ZINC000760308047	839779739	/nfs/dbraw/zinc/77/97/39/839779739.db2.gz	LHWHXGDFEGOBHO-UHFFFAOYSA-N	1	0	351.366	1.792	20	30		FDEDRO
C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CN(C)C[C@@H](C)O2)CCC1	ZINC001105544645	839952010	/nfs/dbraw/zinc/95/20/10/839952010.db2.gz	OZTIGHNLQSGYTB-QRVBRYPASA-N	1	0	361.530	1.870	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(c3nc(C(C)C)cc(=O)[nH]3)C2)CC1	ZINC000888231108	839960512	/nfs/dbraw/zinc/96/05/12/839960512.db2.gz	MALUKVYLCLOAEI-MRXNPFEDSA-N	1	0	371.485	1.346	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3CCCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105585323	839994569	/nfs/dbraw/zinc/99/45/69/839994569.db2.gz	ODGRSFXTJUSKBI-ANTGDGSKSA-N	1	0	362.514	1.793	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)F)[C@H]2C(C)C)C[C@H]1O	ZINC001105585704	840004952	/nfs/dbraw/zinc/00/49/52/840004952.db2.gz	VNCSCMBBLMMSFW-JEWRLFTDSA-N	1	0	354.466	1.350	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105587250	840024824	/nfs/dbraw/zinc/02/48/24/840024824.db2.gz	DVBXGTKHRCBREX-HNBVOPMISA-N	1	0	350.503	1.648	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1	ZINC000667541954	844539999	/nfs/dbraw/zinc/53/99/99/844539999.db2.gz	GJGNLOKHGNOKDR-BBRMVZONSA-N	1	0	371.441	1.143	20	30		FDEDRO
COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]Cc1cnc2ccc(C#N)cn12	ZINC000897985434	840676105	/nfs/dbraw/zinc/67/61/05/840676105.db2.gz	MVSUQVYPROXEHZ-CQSZACIVSA-N	1	0	350.382	1.814	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1	ZINC000898050992	840691298	/nfs/dbraw/zinc/69/12/98/840691298.db2.gz	BZKNRWXJDQCQCK-INIZCTEOSA-N	1	0	362.433	1.416	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](CC)C2)cc1	ZINC000667550566	844566053	/nfs/dbraw/zinc/56/60/53/844566053.db2.gz	OZHPMLPYQWLMLU-CJNGLKHVSA-N	1	0	358.442	1.127	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1	ZINC000898121313	840790318	/nfs/dbraw/zinc/79/03/18/840790318.db2.gz	SFSXBCZIKWWLKM-HNNXBMFYSA-N	1	0	357.454	1.679	20	30		FDEDRO
C=CCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)N(C)CC)C2)[C@@H]1C(C)C	ZINC001105604091	841181714	/nfs/dbraw/zinc/18/17/14/841181714.db2.gz	RDRMXDSCMBGLPB-YAJHFMINSA-N	1	0	365.518	1.397	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)C3(C)CC=CC3)[C@H]2C)CC1	ZINC000989726799	841409061	/nfs/dbraw/zinc/40/90/61/841409061.db2.gz	HGRGMBORGMVHMO-AEFFLSMTSA-N	1	0	357.498	1.794	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C)c1	ZINC000989805709	841508524	/nfs/dbraw/zinc/50/85/24/841508524.db2.gz	XDCUGWLIVJFFJU-DAYGRLMNSA-N	1	0	354.454	1.124	20	30		FDEDRO
N#Cc1ccccc1CN1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1	ZINC001083668653	861262961	/nfs/dbraw/zinc/26/29/61/861262961.db2.gz	ZSSSLVAQRGNRLO-HSALFYBXSA-N	1	0	368.481	1.094	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cnn3c2OCCC3)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088705748	842036144	/nfs/dbraw/zinc/03/61/44/842036144.db2.gz	QSUGCWYWNQSTFO-KDOFPFPSSA-N	1	0	365.437	1.930	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105614423	842228033	/nfs/dbraw/zinc/22/80/33/842228033.db2.gz	HEIOFPVGEIZNGS-MLYOOKFZSA-N	1	0	354.454	1.489	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3oc(C)nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105615016	842228799	/nfs/dbraw/zinc/22/87/99/842228799.db2.gz	NIXRRZPAEABHRV-ZTRFORPCSA-N	1	0	359.470	1.894	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncc(F)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105618720	842233202	/nfs/dbraw/zinc/23/32/02/842233202.db2.gz	AGPZHXBAFNOEBH-XSYGEPLQSA-N	1	0	359.445	1.824	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(OC)no3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105618943	842233948	/nfs/dbraw/zinc/23/39/48/842233948.db2.gz	CGTAXRHKYZOKDI-PHNROFDPSA-N	1	0	361.442	1.286	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)ncn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105619317	842236525	/nfs/dbraw/zinc/23/65/25/842236525.db2.gz	IZDCONFOARMZQS-FTEYMNFISA-N	1	0	356.470	1.388	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cncc(F)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001105619528	842238012	/nfs/dbraw/zinc/23/80/12/842238012.db2.gz	MNGOSRNQWPXHPL-XSYGEPLQSA-N	1	0	359.445	1.824	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3ncc[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105622464	842246356	/nfs/dbraw/zinc/24/63/56/842246356.db2.gz	BALFXJWCRMKEAY-YAJHFMINSA-N	1	0	358.486	1.332	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3(O)CCC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105622665	842248354	/nfs/dbraw/zinc/24/83/54/842248354.db2.gz	FDOJCEXPTNPOJX-ZAWLATJESA-N	1	0	350.503	1.834	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(C)(C)O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105622788	842248884	/nfs/dbraw/zinc/24/88/84/842248884.db2.gz	HSHUHQNNBOMUTH-QQTQMKHKSA-N	1	0	368.518	1.316	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C)nn3)[C@H]2C(C)C)C[C@H]1O	ZINC001105623670	842252300	/nfs/dbraw/zinc/25/23/00/842252300.db2.gz	SCLQYMOPZHJWMN-NWGLXNPWSA-N	1	0	361.490	1.361	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C#CC(C)C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105626952	842258943	/nfs/dbraw/zinc/25/89/43/842258943.db2.gz	JSGRHCNBRJPQGA-VURPSTOHSA-N	1	0	362.514	1.815	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc4n3CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001105636858	842268486	/nfs/dbraw/zinc/26/84/86/842268486.db2.gz	FLJOQXBHYLQZQM-DOSUHQCWSA-N	1	0	370.497	1.432	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)ncn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105636955	842269759	/nfs/dbraw/zinc/26/97/59/842269759.db2.gz	HJEGMYTYRFFEET-HBXLWWENSA-N	1	0	358.486	1.332	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)ncn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637896	842274639	/nfs/dbraw/zinc/27/46/39/842274639.db2.gz	XEOLIHYEXQLVIE-QQTQMKHKSA-N	1	0	360.502	1.884	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]C/C=C\Cl)C2)[C@@H]1C(C)C	ZINC001105632522	842280042	/nfs/dbraw/zinc/28/00/42/842280042.db2.gz	MEEJSPNQMPKZIP-FGLXITMUSA-N	1	0	368.905	1.745	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)N(C)C)C2)[C@@H]1C(C)C	ZINC001105633067	842281352	/nfs/dbraw/zinc/28/13/52/842281352.db2.gz	PXNZXZXOSOQIET-YAJHFMINSA-N	1	0	365.518	1.397	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(F)CCOCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105633056	842281536	/nfs/dbraw/zinc/28/15/36/842281536.db2.gz	POUCGEDPCGEVCN-YWTNHNAXSA-N	1	0	366.477	1.495	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cccnc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105654793	842476174	/nfs/dbraw/zinc/47/61/74/842476174.db2.gz	BQUSJBOJVIRJKU-WKDRNLAYSA-N	1	0	369.509	1.922	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3conc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105655067	842482424	/nfs/dbraw/zinc/48/24/24/842482424.db2.gz	DZRZUMYWDFOLCW-XSYGEPLQSA-N	1	0	359.470	1.840	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@H]1C(C)C	ZINC001105655240	842483100	/nfs/dbraw/zinc/48/31/00/842483100.db2.gz	GKPLEXICLSFIKE-YVTWGWGSSA-N	1	0	365.518	1.301	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH]c(=O)cc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105656558	842487634	/nfs/dbraw/zinc/48/76/34/842487634.db2.gz	QYVTVGHTDXVAQX-REHHDOPLSA-N	1	0	371.481	1.699	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3ccc(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105657283	842494346	/nfs/dbraw/zinc/49/43/46/842494346.db2.gz	XSDRPLAOBKOXEN-IZBJGVDFSA-N	1	0	358.486	1.181	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cnc[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105657374	842494387	/nfs/dbraw/zinc/49/43/87/842494387.db2.gz	YNPMQTNDMUMVRI-IZBJGVDFSA-N	1	0	360.502	1.885	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3nccc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105657591	842495437	/nfs/dbraw/zinc/49/54/37/842495437.db2.gz	ZIMGEMCGZOTMCP-LFGUQSLTSA-N	1	0	358.486	1.181	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1	ZINC001060037766	842499376	/nfs/dbraw/zinc/49/93/76/842499376.db2.gz	MFEHUTCYAFLAAB-LNLFQRSKSA-N	1	0	365.518	1.664	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2ccnc3n[nH]nc32)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088732891	842652838	/nfs/dbraw/zinc/65/28/38/842652838.db2.gz	VHJRGNPTGHFXON-WBMJQRKESA-N	1	0	361.409	1.617	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105661674	842725729	/nfs/dbraw/zinc/72/57/29/842725729.db2.gz	KVQKTCPWQCDUFZ-KLICCBINSA-N	1	0	361.490	1.361	20	30		FDEDRO
C=CCN1CC[C@H](N2CC[C@H](NC(=O)c3cnc(Cl)n3C)[C@H]2C)C1=O	ZINC001088746854	842772304	/nfs/dbraw/zinc/77/23/04/842772304.db2.gz	YINPNOINJNKKCV-AGIUHOORSA-N	1	0	365.865	1.053	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)n[nH]c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105663484	842812687	/nfs/dbraw/zinc/81/26/87/842812687.db2.gz	UAINPLYYNLGNDO-ZTRFORPCSA-N	1	0	358.486	1.630	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(CC)nn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105665986	843052338	/nfs/dbraw/zinc/05/23/38/843052338.db2.gz	BXIUHKWFDMGBBB-MYZZLAAOSA-N	1	0	361.490	1.454	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)COCCCOC)[C@H]2C(C)C)C[C@H]1O	ZINC001105665990	843055425	/nfs/dbraw/zinc/05/54/25/843055425.db2.gz	BYDWOXQYPSQXGP-IZBJGVDFSA-N	1	0	368.518	1.582	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@]2(C)CNC(=O)C2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088766127	843541463	/nfs/dbraw/zinc/54/14/63/843541463.db2.gz	ZHYWHUXJPPJCAN-CFLQYTFWSA-N	1	0	370.453	1.194	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3nnc[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105667800	843703367	/nfs/dbraw/zinc/70/33/67/843703367.db2.gz	TYRIRENSLOASAK-LTDCPUDJSA-N	1	0	361.490	1.280	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3nnc[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105667802	843703946	/nfs/dbraw/zinc/70/39/46/843703946.db2.gz	TYRIRENSLOASAK-RGCFKVTRSA-N	1	0	361.490	1.280	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCCC(N)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105668026	843749466	/nfs/dbraw/zinc/74/94/66/843749466.db2.gz	VXHPRAXYYFANCJ-RGCFKVTRSA-N	1	0	351.491	1.184	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(=O)[nH]c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105668298	843785627	/nfs/dbraw/zinc/78/56/27/843785627.db2.gz	IZUZDESAEBKUGT-QQTQMKHKSA-N	1	0	357.454	1.390	20	30		FDEDRO
N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N[C@H]3CCC[NH2+]C3)c2)s1	ZINC000842162566	845132248	/nfs/dbraw/zinc/13/22/48/845132248.db2.gz	XYWAJDSBXSHGEL-HNNXBMFYSA-N	1	0	368.462	1.771	20	30		FDEDRO
C=C[C@](C)(O)C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000667680155	845335830	/nfs/dbraw/zinc/33/58/30/845335830.db2.gz	ZBKWQAMPWVFYNC-XLIONFOSSA-N	1	0	358.486	1.379	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC3CC3)C2)[C@@H]1C(C)C	ZINC001105676686	845987744	/nfs/dbraw/zinc/98/77/44/845987744.db2.gz	YHLRXMVWLCXDTD-IZBJGVDFSA-N	1	0	350.503	1.955	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCc3n[nH]c(=O)cc3C2)c(OC)c1	ZINC000481308377	846366287	/nfs/dbraw/zinc/36/62/87/846366287.db2.gz	LDPFPGKIJSFNTG-MRXNPFEDSA-N	1	0	371.437	1.717	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2N(C)C)C[C@@H]1O	ZINC001083525767	846390884	/nfs/dbraw/zinc/39/08/84/846390884.db2.gz	LAPIDKJGMPVBNI-XLIONFOSSA-N	1	0	368.481	1.715	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CCn4nc(C)nc4C)C[C@H]32)cc1	ZINC001076117848	847339368	/nfs/dbraw/zinc/33/93/68/847339368.db2.gz	WDYGDXFYPLCXTC-VQTJNVASSA-N	1	0	363.465	1.723	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](CNc3cnc(C#N)cn3)C2)CC[N@@H+]1C	ZINC001060101164	847372845	/nfs/dbraw/zinc/37/28/45/847372845.db2.gz	RQRUIJSLVQUNPN-HYVNUMGLSA-N	1	0	356.474	1.729	20	30		FDEDRO
Cn1cc(OCC(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)cn1	ZINC001076182788	847493754	/nfs/dbraw/zinc/49/37/54/847493754.db2.gz	XJSFMNNBXJPTOQ-PKOBYXMFSA-N	1	0	365.437	1.403	20	30		FDEDRO
C#CCCN1CCN(C(=O)[C@@H](C)[C@@H](O)CN(C)C(=O)OC(C)(C)C)CC1	ZINC000900474643	847521755	/nfs/dbraw/zinc/52/17/55/847521755.db2.gz	SUOYKMRTQJJDCV-HOTGVXAUSA-N	1	0	367.490	1.018	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccn(C)c4C)[C@@H]3C2)C1=O	ZINC001076218651	847571753	/nfs/dbraw/zinc/57/17/53/847571753.db2.gz	YBGUORSGFSZWQW-RYQLBKOJSA-N	1	0	356.470	1.267	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4c[nH]c(=O)cc4C)[C@@H]3C2)C1=O	ZINC001076225565	847600655	/nfs/dbraw/zinc/60/06/55/847600655.db2.gz	QWQNIHZCTKVOAF-BHYGNILZSA-N	1	0	370.453	1.029	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4c(C)noc4CC)C[C@H]32)nn1	ZINC001076335992	847881403	/nfs/dbraw/zinc/88/14/03/847881403.db2.gz	FXZVARVQUPFAET-WMLDXEAASA-N	1	0	370.457	1.669	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](CCc4cnn(CC)c4)C[C@H]32)nn1	ZINC001076336250	847883219	/nfs/dbraw/zinc/88/32/19/847883219.db2.gz	PUJDUEPDZKOGDP-FUHWJXTLSA-N	1	0	369.473	1.070	20	30		FDEDRO
O=C(N1CC[C@H]2CN(CC#Cc3ccc(F)cc3)C[C@H]21)C12CC[NH+](CC1)C2	ZINC001076467093	848192696	/nfs/dbraw/zinc/19/26/96/848192696.db2.gz	CIBHORYNRIUFPI-AZUAARDMSA-N	1	0	367.468	1.806	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CCn4nc(C)nc4C)C[C@H]32)cn1	ZINC001076477046	848242982	/nfs/dbraw/zinc/24/29/82/848242982.db2.gz	NHXZDQMDRMGODS-PKOBYXMFSA-N	1	0	364.453	1.118	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCN(C(C)C)C4=O)C[C@H]32)cn1	ZINC001076477107	848243143	/nfs/dbraw/zinc/24/31/43/848243143.db2.gz	QAJSIQOFFLZIAD-QXAKKESOSA-N	1	0	366.465	1.219	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@H]21	ZINC001076500861	848293887	/nfs/dbraw/zinc/29/38/87/848293887.db2.gz	URMKMSCDUKBHEQ-AZUAARDMSA-N	1	0	365.477	1.364	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)c(F)c1	ZINC001076574981	848451830	/nfs/dbraw/zinc/45/18/30/848451830.db2.gz	UFRCKJHPNBZDEZ-PKOBYXMFSA-N	1	0	356.445	1.826	20	30		FDEDRO
C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(Cc4cc(C#N)ccc4F)C[C@H]32)C1	ZINC001076568100	848461204	/nfs/dbraw/zinc/46/12/04/848461204.db2.gz	VBCYAIFUVQPXCV-FRQCXROJSA-N	1	0	356.445	1.682	20	30		FDEDRO
C=C[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCn3cncn3)C[C@H]21)c1ccccc1	ZINC001076599140	848535743	/nfs/dbraw/zinc/53/57/43/848535743.db2.gz	DCZFHZADBSSHKU-IPMKNSEASA-N	1	0	351.454	1.781	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(Cc4cc(C)ncn4)C[C@H]32)CC1	ZINC001076605470	848555782	/nfs/dbraw/zinc/55/57/82/848555782.db2.gz	BPRBKRJCYLSUDX-AZUAARDMSA-N	1	0	367.497	1.163	20	30		FDEDRO
C[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21)N1CCOCC1	ZINC001076645724	848648302	/nfs/dbraw/zinc/64/83/02/848648302.db2.gz	OQNFNIGSPLCCHB-FFZOFVMBSA-N	1	0	368.481	1.312	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)CCC[NH+]1CCCC1	ZINC001076726320	848856402	/nfs/dbraw/zinc/85/64/02/848856402.db2.gz	FBTCBRYZUKHWKR-LNLFQRSKSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC001076738244	848906939	/nfs/dbraw/zinc/90/69/39/848906939.db2.gz	VAVRBRITXAJQSZ-TXTZMMAHSA-N	1	0	365.518	1.709	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCc4ccccc43)C[C@H]2O)c1	ZINC001076855863	849213622	/nfs/dbraw/zinc/21/36/22/849213622.db2.gz	QOLIWSWGPHGHAK-NSISKUIASA-N	1	0	364.449	1.781	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCc3cccc(F)c3)C[C@H]2O)[nH]1	ZINC001076898569	849283506	/nfs/dbraw/zinc/28/35/06/849283506.db2.gz	PNOLHABLGNLKBW-QZTJIDSGSA-N	1	0	356.401	1.433	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)C1	ZINC001077047966	849625354	/nfs/dbraw/zinc/62/53/54/849625354.db2.gz	YNVKPRFPZBJZQI-BZUAXINKSA-N	1	0	351.491	1.151	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1O	ZINC001077092421	849731781	/nfs/dbraw/zinc/73/17/81/849731781.db2.gz	SWJCJCJSRUHAHT-GUDVDZBRSA-N	1	0	356.470	1.094	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1O	ZINC001083578388	850942260	/nfs/dbraw/zinc/94/22/60/850942260.db2.gz	JCEYFKJNQCJWOG-NXHRZFHOSA-N	1	0	360.454	1.453	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(c1nc([C@@H]3CC(=O)N(CC4CCC4)C3)no1)C2	ZINC000904098640	850954636	/nfs/dbraw/zinc/95/46/36/850954636.db2.gz	YDJQSUWFKIGTJK-PPXVZNSRSA-N	1	0	355.442	1.792	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)N1CC[NH2+]C[C@@H]1CCOC	ZINC000904415158	851206527	/nfs/dbraw/zinc/20/65/27/851206527.db2.gz	RLDXEMOKEDYKIO-HNNXBMFYSA-N	1	0	362.430	1.426	20	30		FDEDRO
N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccnn1Cc1ccc(Cl)s1	ZINC000904547126	851286329	/nfs/dbraw/zinc/28/63/29/851286329.db2.gz	ARXIGHXTNXBDQH-KOLCDFICSA-N	1	0	350.835	1.879	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1	ZINC000904958225	851551728	/nfs/dbraw/zinc/55/17/28/851551728.db2.gz	IEFPXGXTKLWFMX-SFHVURJKSA-N	1	0	362.499	1.802	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1	ZINC000668437466	851606094	/nfs/dbraw/zinc/60/60/94/851606094.db2.gz	JIRWJQMCSNZRDV-GOSISDBHSA-N	1	0	365.518	1.997	20	30		FDEDRO
C#Cc1cccc(C[NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)c1	ZINC000905280929	851813729	/nfs/dbraw/zinc/81/37/29/851813729.db2.gz	PPBLPOOWIXNYLM-QGZVFWFLSA-N	1	0	364.511	1.759	20	30		FDEDRO
C#C[C@@H]([NH2+]C[C@H](O)CC1(O)CCC(C(=O)OCC)CC1)C1CCOCC1	ZINC000905384374	851882846	/nfs/dbraw/zinc/88/28/46/851882846.db2.gz	WBQVDOOUUJCGMZ-SFANZJOMSA-N	1	0	367.486	1.240	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]CC[C@@H]2CCCS2(=O)=O)cc1	ZINC000905433232	851938002	/nfs/dbraw/zinc/93/80/02/851938002.db2.gz	XBMRDPCKKDMRQO-RDJZCZTQSA-N	1	0	352.456	1.049	20	30		FDEDRO
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C[C@H](O)CC1(C#N)CCOCC1	ZINC000905503795	851976389	/nfs/dbraw/zinc/97/63/89/851976389.db2.gz	BLHWVPOIOCAEET-BZUAXINKSA-N	1	0	367.490	1.903	20	30		FDEDRO
C[C@@H]1OC[C@]2(CC[C@H](C[NH2+]C[C@H](O)COc3ccc(C#N)cc3)O2)[C@H]1C	ZINC000905486219	851987078	/nfs/dbraw/zinc/98/70/78/851987078.db2.gz	MYILTVDWPNLSSM-OUEOUJKYSA-N	1	0	360.454	1.860	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(c2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)C1=O	ZINC000905489080	851989745	/nfs/dbraw/zinc/98/97/45/851989745.db2.gz	RDUMHZSJWIQZOM-MSOLQXFVSA-N	1	0	370.453	1.598	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCO[C@@](C)(C[NH2+]C[C@H](O)CC(C)(C)C#N)C1	ZINC000905589562	852080571	/nfs/dbraw/zinc/08/05/71/852080571.db2.gz	ZGUSZCRMXWVKAS-KDOFPFPSSA-N	1	0	355.479	1.903	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+]CC2CC3(C2)OCCO3)c(OC)c1	ZINC000905591755	852082460	/nfs/dbraw/zinc/08/24/60/852082460.db2.gz	LLZDUQBDJBPBDK-QGZVFWFLSA-N	1	0	363.454	1.906	20	30		FDEDRO
CC1(C)C[C@@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C(C)(C)O1	ZINC000905620932	852092994	/nfs/dbraw/zinc/09/29/94/852092994.db2.gz	YMSKYAJZKQKYJF-AWEZNQCLSA-N	1	0	351.472	1.910	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)c2ccc(C#N)cc2)C1	ZINC000026902190	852607501	/nfs/dbraw/zinc/60/75/01/852607501.db2.gz	DMVKEVFUWBFCER-KRWDZBQOSA-N	1	0	359.426	1.188	20	30		FDEDRO
C=CCNC(=O)c1ccccc1NC(=O)C1(n2cccn2)CC[NH2+]CC1	ZINC000906219475	852683700	/nfs/dbraw/zinc/68/37/00/852683700.db2.gz	JLGPXPJLKLUIFY-UHFFFAOYSA-N	1	0	353.426	1.516	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H](C)n2ncnc21)C(C)C	ZINC000668532046	852721916	/nfs/dbraw/zinc/72/19/16/852721916.db2.gz	RXUUPRNBZNSYNB-BZUAXINKSA-N	1	0	374.489	1.215	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC000906514647	852958341	/nfs/dbraw/zinc/95/83/41/852958341.db2.gz	BFNMJACULBKYCU-KRWDZBQOSA-N	1	0	356.470	1.421	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@]1(C#N)CC2CCC1CC2	ZINC000906504260	852972501	/nfs/dbraw/zinc/97/25/01/852972501.db2.gz	CYLRBZJPIAPMFN-QCECMTGHSA-N	1	0	360.502	1.765	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@]2(C#N)CC3CCC2CC3)CC1	ZINC000906631225	853118162	/nfs/dbraw/zinc/11/81/62/853118162.db2.gz	CDSJHZKMRLQMEL-PMTKGXAQSA-N	1	0	360.502	1.765	20	30		FDEDRO
C#Cc1ccc(S(=O)(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1	ZINC000907074201	853738732	/nfs/dbraw/zinc/73/87/32/853738732.db2.gz	PNYOCBXSYZWPOT-DFNIBXOVSA-N	1	0	373.522	1.599	20	30		FDEDRO
CN1CC[N@H+](C)CC(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1	ZINC000907283446	854023180	/nfs/dbraw/zinc/02/31/80/854023180.db2.gz	HVKQJLFSFOQULK-UHFFFAOYSA-N	1	0	356.405	1.315	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2=O)cc1	ZINC000907723348	854568614	/nfs/dbraw/zinc/56/86/14/854568614.db2.gz	ZVPQIXFDGBABCW-QYZOEREBSA-N	1	0	366.465	1.792	20	30		FDEDRO
N#Cc1ccc(F)c(CS(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c1	ZINC000908005449	854891595	/nfs/dbraw/zinc/89/15/95/854891595.db2.gz	AHWBYJOYBLPXJC-IRXDYDNUSA-N	1	0	367.446	1.058	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCn2ncc(C(=O)NC(C)C)c2C1	ZINC000908066866	854983710	/nfs/dbraw/zinc/98/37/10/854983710.db2.gz	JNVFVECXJVDPTP-HNNXBMFYSA-N	1	0	361.490	1.208	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1	ZINC000668654267	855076767	/nfs/dbraw/zinc/07/67/67/855076767.db2.gz	KJFFGEDJIXVZSZ-HZPDHXFCSA-N	1	0	353.507	1.568	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1sccc1S(N)(=O)=O)C(C)C	ZINC000668682515	855391865	/nfs/dbraw/zinc/39/18/65/855391865.db2.gz	IQVQQOLIPLSHCM-ZDUSSCGKSA-N	1	0	371.528	1.824	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)c1oc(S(N)(=O)=O)cc1C)C(C)C	ZINC000668683501	855427475	/nfs/dbraw/zinc/42/74/75/855427475.db2.gz	XHBAMPQSJLOEAE-CQSZACIVSA-N	1	0	369.487	1.664	20	30		FDEDRO
C=CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	ZINC000908654738	855659886	/nfs/dbraw/zinc/65/98/86/855659886.db2.gz	KWJUFKDKBVYMSC-KUHUBIRLSA-N	1	0	367.457	1.499	20	30		FDEDRO
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1C[C@@H]2CSC[C@@H]2C1	ZINC000908696386	855686027	/nfs/dbraw/zinc/68/60/27/855686027.db2.gz	XJWFCSFMDPURNA-QXSJWSMHSA-N	1	0	361.515	1.799	20	30		FDEDRO
C=CCn1c(-c2cccnn2)nnc1N1CC[NH+](C2CCOCC2)CC1	ZINC000908702533	855705608	/nfs/dbraw/zinc/70/56/08/855705608.db2.gz	QPDWLIIBQGUXJC-UHFFFAOYSA-N	1	0	355.446	1.222	20	30		FDEDRO
C=CCn1c(-c2cnsn2)nnc1N1CC[NH+](C2CCOCC2)CC1	ZINC000908712934	855716473	/nfs/dbraw/zinc/71/64/73/855716473.db2.gz	PPINNKHUEVSYSW-UHFFFAOYSA-N	1	0	361.475	1.284	20	30		FDEDRO
C=CCn1c(-c2ncnc3[nH]cnc32)nnc1N1CC[C@@H]2[C@H](CC[N@H+]2C)C1	ZINC000908715794	855720303	/nfs/dbraw/zinc/72/03/03/855720303.db2.gz	URTOHPJLYFUPIM-CHWSQXEVSA-N	1	0	365.445	1.279	20	30		FDEDRO
C=CCn1c(-c2ccc(=O)n(C)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1	ZINC000908741650	855739833	/nfs/dbraw/zinc/73/98/33/855739833.db2.gz	MWNOWCGXKQNTGC-KRWDZBQOSA-N	1	0	368.485	1.894	20	30		FDEDRO
N#Cc1c(F)cc(C(=O)NCC(=O)NCC[NH+]2CCCCC2)cc1F	ZINC000909315953	856396540	/nfs/dbraw/zinc/39/65/40/856396540.db2.gz	XDIXZFBJIRTPQJ-UHFFFAOYSA-N	1	0	350.369	1.168	20	30		FDEDRO
N#C[C@@H](CCc1ccccc1)C(=O)NCC(=O)NCC[NH+]1CCCCC1	ZINC000909317685	856401113	/nfs/dbraw/zinc/40/11/13/856401113.db2.gz	FPNXEHOIWVMBFV-GOSISDBHSA-N	1	0	356.470	1.477	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@@H](C(=O)NCC4CC4)C3)C2=O)cc1	ZINC000249708502	862800868	/nfs/dbraw/zinc/80/08/68/862800868.db2.gz	CDKKEWRAJXAUHZ-MJGOQNOKSA-N	1	0	366.465	1.902	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1	ZINC000487797119	856758436	/nfs/dbraw/zinc/75/84/36/856758436.db2.gz	JADMEXGGAHGSIC-OAHLLOKOSA-N	1	0	360.458	1.600	20	30		FDEDRO
C[C@H]1CN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1CC(C)(C)O	ZINC000249365897	856766719	/nfs/dbraw/zinc/76/67/19/856766719.db2.gz	MMQBXZFMKHIRNN-YJBOKZPZSA-N	1	0	356.470	1.441	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1	ZINC000910572619	857333604	/nfs/dbraw/zinc/33/36/04/857333604.db2.gz	NXHJEQYOVKDDIV-GHTZIAJQSA-N	1	0	368.481	1.707	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCc2cccnc2N2CCCC2)CC1	ZINC000668835484	857510304	/nfs/dbraw/zinc/51/03/04/857510304.db2.gz	BITXIVLACZSDOI-UHFFFAOYSA-N	1	0	371.485	1.065	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)N(C(=O)[C@H]1CCC[NH2+]C1)c1ccccc1OC	ZINC000910865519	857800675	/nfs/dbraw/zinc/80/06/75/857800675.db2.gz	HPTPEELGCMTHMG-HNNXBMFYSA-N	1	0	373.453	1.589	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CCC[C@H](c2ccccc2)C1)C1CC[NH+](C)CC1	ZINC000910886084	857838125	/nfs/dbraw/zinc/83/81/25/857838125.db2.gz	PZQCXAKVBSRGTG-IBGZPJMESA-N	1	0	367.493	1.949	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CCC(c2ccccc2)CC1)C1CC[NH+](C)CC1	ZINC000910887047	857841100	/nfs/dbraw/zinc/84/11/00/857841100.db2.gz	YAVJCFSYENAQAG-UHFFFAOYSA-N	1	0	367.493	1.949	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1C[C@H](C)OC2(CCCC2)C1)C1CC[NH+](C)CC1	ZINC000910887765	857842522	/nfs/dbraw/zinc/84/25/22/857842522.db2.gz	UVAHVNHPSKTQSF-INIZCTEOSA-N	1	0	361.486	1.103	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1)c1ccncc1	ZINC000911000073	858015571	/nfs/dbraw/zinc/01/55/71/858015571.db2.gz	BRJGARSKHQQLIR-SJORKVTESA-N	1	0	372.469	1.171	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1	ZINC000911002963	858021081	/nfs/dbraw/zinc/02/10/81/858021081.db2.gz	URFSFNIERLTXLR-CHWSQXEVSA-N	1	0	371.359	1.216	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21	ZINC000911014663	858039995	/nfs/dbraw/zinc/03/99/95/858039995.db2.gz	JNVCJSLRVKFOQH-OXQOHEQNSA-N	1	0	373.453	1.067	20	30		FDEDRO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[NH2+]C[C@@H]1CCOC	ZINC000911050013	858042251	/nfs/dbraw/zinc/04/22/51/858042251.db2.gz	TZSFQVUZPMYFMN-ROUUACIJSA-N	1	0	359.470	1.127	20	30		FDEDRO
C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CC[C@H](C[NH+](CC)CC)C1	ZINC000669331552	862985487	/nfs/dbraw/zinc/98/54/87/862985487.db2.gz	KORLYDYKCHIAGA-OAHLLOKOSA-N	1	0	358.494	1.818	20	30		FDEDRO
C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1	ZINC000669331567	862985721	/nfs/dbraw/zinc/98/57/21/862985721.db2.gz	LCXWGRONVZWCIZ-HNNXBMFYSA-N	1	0	358.494	1.818	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@@H](COC)C1	ZINC000669334336	862998072	/nfs/dbraw/zinc/99/80/72/862998072.db2.gz	CNVDPWVAFVQSOF-ZACQAIPSSA-N	1	0	361.490	1.863	20	30		FDEDRO
C=C(C)Cn1c(-c2cc[nH]n2)nnc1N1CCC(C[NH+]2CCOCC2)CC1	ZINC000669337928	863020427	/nfs/dbraw/zinc/02/04/27/863020427.db2.gz	WDBGAXMHIWOVBS-UHFFFAOYSA-N	1	0	371.489	1.793	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2noc(-c3cccc(OC)c3)n2)CC1	ZINC000760629515	858584634	/nfs/dbraw/zinc/58/46/34/858584634.db2.gz	HUVREWYHNVFZDD-UHFFFAOYSA-N	1	0	354.410	1.963	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c1	ZINC000911403770	858592686	/nfs/dbraw/zinc/59/26/86/858592686.db2.gz	TUEYVTUUFSFFPO-YPMHNXCESA-N	1	0	372.322	1.052	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)c1	ZINC000911404433	858593515	/nfs/dbraw/zinc/59/35/15/858593515.db2.gz	YUFGCPSKJQHJMJ-UHFFFAOYSA-N	1	0	358.417	1.304	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1	ZINC000911562335	858769970	/nfs/dbraw/zinc/76/99/70/858769970.db2.gz	KNHQDQIXYGXVQT-GOSISDBHSA-N	1	0	354.454	1.721	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21	ZINC000911574137	858797083	/nfs/dbraw/zinc/79/70/83/858797083.db2.gz	ODWGREAFUBBMLE-OXQOHEQNSA-N	1	0	355.438	1.559	20	30		FDEDRO
Cc1noc(C2CC2)c1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1O	ZINC001083648709	859151233	/nfs/dbraw/zinc/15/12/33/859151233.db2.gz	NLNVBZIHPFZZIR-SJORKVTESA-N	1	0	366.421	1.707	20	30		FDEDRO
C=CCCC[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000911984922	859209710	/nfs/dbraw/zinc/20/97/10/859209710.db2.gz	XUPFAYXZAOAFEM-MRXNPFEDSA-N	1	0	369.462	1.342	20	30		FDEDRO
CC(C)(C)NC(NCCS(=O)(=O)c1ccccc1)=[NH+]C[C@H]1CCCO1	ZINC000912508883	859832651	/nfs/dbraw/zinc/83/26/51/859832651.db2.gz	SGGGLPLJVFOVLG-OAHLLOKOSA-N	1	0	367.515	1.973	20	30		FDEDRO
C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000912811254	860275616	/nfs/dbraw/zinc/27/56/16/860275616.db2.gz	HBIKHOLXTORLNJ-RHDHSSKXSA-N	1	0	362.474	1.482	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000669039961	860918820	/nfs/dbraw/zinc/91/88/20/860918820.db2.gz	UEYYCQWKGMIYHH-HKUYNNGSSA-N	1	0	373.497	1.722	20	30		FDEDRO
C=CCn1c(-c2cn(C)nn2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1	ZINC000669039897	860921224	/nfs/dbraw/zinc/92/12/24/860921224.db2.gz	JMWCFQPTSQBQFI-UHFFFAOYSA-N	1	0	370.505	1.960	20	30		FDEDRO
C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1	ZINC001108092938	881606697	/nfs/dbraw/zinc/60/66/97/881606697.db2.gz	OZAFYKICUXXNRU-IMBTUZDBSA-N	1	0	352.475	1.211	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1	ZINC000057175849	863091742	/nfs/dbraw/zinc/09/17/42/863091742.db2.gz	OTUBEQPHYKZOQS-UHFFFAOYSA-N	1	0	359.445	1.624	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC(C)C)C[C@H]1C	ZINC001105778400	863107174	/nfs/dbraw/zinc/10/71/74/863107174.db2.gz	FPVOPTOCNUWAIH-RBSFLKMASA-N	1	0	352.479	1.117	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000249802683	863288992	/nfs/dbraw/zinc/28/89/92/863288992.db2.gz	ZPKMQOAQUKEAII-SJORKVTESA-N	1	0	370.501	1.905	20	30		FDEDRO
[NH2+]=C(NCCNS(=O)(=O)c1cccnc1)Nc1cccc2c1CCCC2	ZINC000157378388	863326525	/nfs/dbraw/zinc/32/65/25/863326525.db2.gz	VQQROBNFYBIDFS-UHFFFAOYSA-N	1	0	373.482	1.666	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]CCOC[C@H]1CCCCO1	ZINC001105847771	863492671	/nfs/dbraw/zinc/49/26/71/863492671.db2.gz	HNCXIWGRABIVJP-BRWVUGGUSA-N	1	0	369.531	1.513	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]CCCO[C@H]1CCOC1	ZINC001105847913	863492692	/nfs/dbraw/zinc/49/26/92/863492692.db2.gz	KGMUZYQRRYNYOS-OAGGEKHMSA-N	1	0	355.504	1.123	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCCO2)C[C@H]1C	ZINC001105859344	863521134	/nfs/dbraw/zinc/52/11/34/863521134.db2.gz	XRAWLVFUBASKGC-ZACQAIPSSA-N	1	0	364.490	1.002	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)COCC2CC2)C[C@H]1C	ZINC001105866299	863540802	/nfs/dbraw/zinc/54/08/02/863540802.db2.gz	XQYJFUGTANUDHG-SJLPKXTDSA-N	1	0	365.518	1.522	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cncs2)C[C@H]1C	ZINC001105881436	863632122	/nfs/dbraw/zinc/63/21/22/863632122.db2.gz	BQXUAMRBCAUXRC-HUUCEWRRSA-N	1	0	364.515	1.865	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1	ZINC000761025646	863787788	/nfs/dbraw/zinc/78/77/88/863787788.db2.gz	RIMDYHUIZPBCCR-GFCCVEGCSA-N	1	0	360.389	1.267	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCC)[C@H](C)C1	ZINC001105914857	863971675	/nfs/dbraw/zinc/97/16/75/863971675.db2.gz	HPQFBEJMDKQXAF-IXDOHACOSA-N	1	0	353.507	1.568	20	30		FDEDRO
C=CCN1CC[C@H](N2CC[C@H](NC(=O)c3ccc(Cl)[nH]3)[C@H]2C)C1=O	ZINC001088841468	863984806	/nfs/dbraw/zinc/98/48/06/863984806.db2.gz	HJNJLALHIJEKTN-DYEKYZERSA-N	1	0	350.850	1.648	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCOC2)C[C@H]1C	ZINC001105924882	864042510	/nfs/dbraw/zinc/04/25/10/864042510.db2.gz	YYQMJHUPKURDSV-KZNAEPCWSA-N	1	0	365.518	1.522	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cscn2)C[C@H]1C	ZINC001105930206	864082465	/nfs/dbraw/zinc/08/24/65/864082465.db2.gz	OAXVOZRXEGVRHU-ZIAGYGMSSA-N	1	0	363.487	1.203	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CCOCC)C[C@H]1C	ZINC001105933619	864099186	/nfs/dbraw/zinc/09/91/86/864099186.db2.gz	YMTWQGIMDGKVSU-IAGOWNOFSA-N	1	0	351.491	1.298	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2cnn3c2CCCC3)C[C@H]1C(F)(F)F	ZINC001112117781	864130453	/nfs/dbraw/zinc/13/04/53/864130453.db2.gz	ATMATTUUBDEZDE-HUUCEWRRSA-N	1	0	368.403	1.764	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2ccccc2)[C@H](C)C1	ZINC001105942633	864162216	/nfs/dbraw/zinc/16/22/16/864162216.db2.gz	LGJUHOKJDGSBGA-SJLPKXTDSA-N	1	0	359.470	1.190	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C2CC2)C2CCCC2)[C@H](C)C1	ZINC001105951769	864211696	/nfs/dbraw/zinc/21/16/96/864211696.db2.gz	KVHYNYAFVIWICV-BZUAXINKSA-N	1	0	360.502	1.764	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)/C=C/C(C)(C)C)C[C@H]1C	ZINC001105955268	864223333	/nfs/dbraw/zinc/22/33/33/864223333.db2.gz	CLUHQRMRCCPDKC-FHFZEBMASA-N	1	0	364.490	1.285	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]CC(=O)Nc1ccccc1	ZINC001105985392	864347217	/nfs/dbraw/zinc/34/72/17/864347217.db2.gz	ILBLPLBUDOVOEH-GDBMZVCRSA-N	1	0	365.437	1.823	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](C[NH2+]Cc2nnc(C3CC3)[nH]2)[C@H](C)C1	ZINC001105987584	864365760	/nfs/dbraw/zinc/36/57/60/864365760.db2.gz	LHACOHAVSVHWAB-GDBMZVCRSA-N	1	0	361.490	1.849	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cccc(=O)n2C)CCN1Cc1ccc(F)c(C#N)c1	ZINC001088847726	864561563	/nfs/dbraw/zinc/56/15/63/864561563.db2.gz	JRKXYWVWWIJVFX-DYVFJYSZSA-N	1	0	368.412	1.789	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]CCO[C@@H]1CC1(F)F	ZINC001106015382	864654998	/nfs/dbraw/zinc/65/49/98/864654998.db2.gz	BTSLOILEHXQYQL-LALPHHSUSA-N	1	0	352.385	1.608	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]C[C@H](O)Cc1ccccc1	ZINC001106015990	864656112	/nfs/dbraw/zinc/65/61/12/864656112.db2.gz	OGQLQAJMUXIBQF-SZVBFZGTSA-N	1	0	366.465	1.788	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)n2cncn2)C[C@H]1C	ZINC001106018787	864663663	/nfs/dbraw/zinc/66/36/63/864663663.db2.gz	VWAWCVISSTUKTN-KGYLQXTDSA-N	1	0	356.268	1.432	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]CC(=O)N1CCCC[C@@H]1C	ZINC001106024792	864793823	/nfs/dbraw/zinc/79/38/23/864793823.db2.gz	KFVUZJDBQKLZDT-HLLBOEOZSA-N	1	0	371.485	1.585	20	30		FDEDRO
COc1ccc(CN2CC[C@H](NC(=O)Cn3ccc(C)n3)[C@H]2C)cc1C#N	ZINC001088866262	864944067	/nfs/dbraw/zinc/94/40/67/864944067.db2.gz	HVZOAMXTQYPZSX-QAPCUYQASA-N	1	0	367.453	1.851	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)/C=C\c2ccc[nH]2)C[C@H]1C	ZINC001106050483	865013978	/nfs/dbraw/zinc/01/39/78/865013978.db2.gz	QULKWFGQMHXFSV-PMKBXARWSA-N	1	0	371.485	1.474	20	30		FDEDRO
CC(=O)N1CC(C(=O)N2C[C@@H](C[NH2+]CC#Cc3ccc(F)cc3)[C@H](C)C2)C1	ZINC001106056464	865050435	/nfs/dbraw/zinc/05/04/35/865050435.db2.gz	RMISRWKMZUGIDF-CRAIPNDOSA-N	1	0	371.456	1.340	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106056540	865050715	/nfs/dbraw/zinc/05/07/15/865050715.db2.gz	VJODPDHTKLLYIU-SJLPKXTDSA-N	1	0	368.456	1.838	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)sn2)C[C@H]1C	ZINC001106057103	865053295	/nfs/dbraw/zinc/05/32/95/865053295.db2.gz	SMGVQXHQCYACGK-MRVWCRGKSA-N	1	0	350.488	1.440	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CCCCCn2cncn2)[C@H](C)C1	ZINC001106064771	865108639	/nfs/dbraw/zinc/10/86/39/865108639.db2.gz	HXIXOSQOOPXHIV-ZHALLVOQSA-N	1	0	363.506	1.460	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC(C)(C)C)[C@H](C)C1	ZINC001106065634	865117021	/nfs/dbraw/zinc/11/70/21/865117021.db2.gz	CXKSZABIOVHRIS-HUUCEWRRSA-N	1	0	364.490	1.098	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1	ZINC001060395091	865133512	/nfs/dbraw/zinc/13/35/12/865133512.db2.gz	SEKYCPONILWQTB-KSZLIROESA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccc(C)[nH]c3=O)[C@H]2C)C1=O	ZINC001088883200	865225587	/nfs/dbraw/zinc/22/55/87/865225587.db2.gz	CABOBIHHXGJGQF-VNQPRFMTSA-N	1	0	358.442	1.075	20	30		FDEDRO
Cc1ccc([C@@H](C)C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)s1	ZINC001106876367	881851230	/nfs/dbraw/zinc/85/12/30/881851230.db2.gz	SUBIYTNXFOKNIQ-BPLDGKMQSA-N	1	0	362.499	1.484	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cccnc3C)[C@@H]2C)nn1	ZINC001088910732	865396965	/nfs/dbraw/zinc/39/69/65/865396965.db2.gz	DDKUQSJXNFWZID-WBVHZDCISA-N	1	0	354.458	1.950	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](C[C@@H]3CC(C)(C)CO3)[C@@H]2C)nn1	ZINC001088911266	865400467	/nfs/dbraw/zinc/40/04/67/865400467.db2.gz	HRMOLTYSWMNFIH-PMPSAXMXSA-N	1	0	361.490	1.862	20	30		FDEDRO
C#CCN1CCN(C(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)CC1	ZINC000171980609	865411338	/nfs/dbraw/zinc/41/13/38/865411338.db2.gz	WJBNJBSSWSVNAU-UHFFFAOYSA-N	1	0	354.498	1.608	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN(C)CC(=O)NC2CC[NH+](C(C)C)CC2)c1	ZINC000172246525	865539139	/nfs/dbraw/zinc/53/91/39/865539139.db2.gz	IHNJLQWJIQLKQY-UHFFFAOYSA-N	1	0	370.497	1.527	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)Cc2ncc[nH]2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088941036	865607230	/nfs/dbraw/zinc/60/72/30/865607230.db2.gz	CIXVZSIDRKCCED-PBHICJAKSA-N	1	0	353.426	1.634	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3n[nH]nc3C2)CCN1Cc1ccccc1C#N	ZINC001088977499	865882999	/nfs/dbraw/zinc/88/29/99/865882999.db2.gz	CDTAWQYAZKAXAX-CPUCHLNUSA-N	1	0	364.453	1.560	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1Cc1ccc(C#N)cc1F	ZINC001088983650	865912506	/nfs/dbraw/zinc/91/25/06/865912506.db2.gz	IBHLQEYYVNQANH-KDOFPFPSSA-N	1	0	356.445	1.872	20	30		FDEDRO
C#CCCCNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC	ZINC000173524364	865984668	/nfs/dbraw/zinc/98/46/68/865984668.db2.gz	IRHBMXDHTLGECB-UHFFFAOYSA-N	1	0	372.469	1.305	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@H]1OC	ZINC001212193695	866016880	/nfs/dbraw/zinc/01/68/80/866016880.db2.gz	JEDQSXJEUSGNDM-SBHAEUEKSA-N	1	0	358.482	1.818	20	30		FDEDRO
COc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2C)cc1C#N	ZINC001089037723	866205326	/nfs/dbraw/zinc/20/53/26/866205326.db2.gz	OTVICXJOYIGRPN-KYJSFNMBSA-N	1	0	356.470	1.598	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C[NH2+]CC#Cc1ccc(Cl)cc1	ZINC001106083705	866233054	/nfs/dbraw/zinc/23/30/54/866233054.db2.gz	YJRYKCNETYSZGZ-GDBMZVCRSA-N	1	0	371.872	1.818	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3noc(CC)n3)[C@@H]2C)CC1	ZINC001089059818	866389207	/nfs/dbraw/zinc/38/92/07/866389207.db2.gz	CUZWFFKIMDGCLS-ZBFHGGJFSA-N	1	0	359.474	1.056	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3cncc(F)c3)[C@@H]2C)CC1	ZINC001089059935	866391052	/nfs/dbraw/zinc/39/10/52/866391052.db2.gz	JNLREHDOEWAYGP-BEFAXECRSA-N	1	0	358.461	1.645	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1	ZINC000992030335	867260424	/nfs/dbraw/zinc/26/04/24/867260424.db2.gz	ZMUIZZGSLDDXIK-SZMVWBNQSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1	ZINC000992037352	867345144	/nfs/dbraw/zinc/34/51/44/867345144.db2.gz	CMLVCQQWKUJLGH-BZSNNMDCSA-N	1	0	361.486	1.169	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2sccc2F)C[C@H]1C	ZINC001106085467	867686543	/nfs/dbraw/zinc/68/65/43/867686543.db2.gz	GTRPVWGHYSVXAY-JHJVBQTASA-N	1	0	353.463	1.876	20	30		FDEDRO
COc1ccnc(C(=N)Nc2ccccc2C(=O)NC2CC[NH2+]CC2)n1	ZINC001168428639	867757184	/nfs/dbraw/zinc/75/71/84/867757184.db2.gz	WKIDLEJIUKEZPF-UHFFFAOYSA-N	1	0	354.414	1.004	20	30		FDEDRO
CNC(=O)NCCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1	ZINC001106090462	867931430	/nfs/dbraw/zinc/93/14/30/867931430.db2.gz	PTWLIWGBUYTGIX-CHWSQXEVSA-N	1	0	363.487	1.123	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@H](O)Cc3ccccc3)C[C@H]2O)cc1	ZINC001077493739	867961596	/nfs/dbraw/zinc/96/15/96/867961596.db2.gz	ISOGGKMABVHGMG-NJDAHSKKSA-N	1	0	364.445	1.046	20	30		FDEDRO
C#Cc1ccccc1CC(=O)NC1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000992153481	868041338	/nfs/dbraw/zinc/04/13/38/868041338.db2.gz	PQBKREGANUWELO-AZNSAFFESA-N	1	0	367.493	1.562	20	30		FDEDRO
Cc1cccc(CNC(=O)C[NH2+]C[C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2C)c1	ZINC001106104866	868135085	/nfs/dbraw/zinc/13/50/85/868135085.db2.gz	HRFQCIGGUOMAPS-UYAOXDASSA-N	1	0	369.509	1.955	20	30		FDEDRO
COc1cccc([C@@H](O)C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)c1	ZINC001106106481	868188695	/nfs/dbraw/zinc/18/86/95/868188695.db2.gz	ZIVALDSHIXHPBW-ZTNFWEORSA-N	1	0	356.466	1.826	20	30		FDEDRO
CCS(=O)(=O)NCCC[NH2+]C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C	ZINC001106109826	868303110	/nfs/dbraw/zinc/30/31/10/868303110.db2.gz	XIEOVINYSJGOHT-HZPDHXFCSA-N	1	0	371.547	1.049	20	30		FDEDRO
N#Cc1ccccc1C[N@@H+]1CC[C@@]2(NC(=O)[C@H]3C[C@H]3C(N)=O)CCC[C@@H]12	ZINC000992204629	868332401	/nfs/dbraw/zinc/33/24/01/868332401.db2.gz	DQJOINYMWAMZSS-YZLZLFLDSA-N	1	0	352.438	1.293	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CC(C)C)[C@H](C)C1	ZINC001106111262	868388854	/nfs/dbraw/zinc/38/88/54/868388854.db2.gz	KMXXSTOURGNIKT-IXDOHACOSA-N	1	0	361.490	1.157	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2noc3c2CCCC3)[C@H](C)C1	ZINC001106111541	868391971	/nfs/dbraw/zinc/39/19/71/868391971.db2.gz	OPEJWOHAEJDHPS-OWCLPIDISA-N	1	0	359.470	1.776	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CC(=C)C)[C@H](C)C1	ZINC001106111677	868396869	/nfs/dbraw/zinc/39/68/69/868396869.db2.gz	OUIDBGHYGJWIPD-FGTMMUONSA-N	1	0	363.502	1.133	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cccc(N(C)C)c2)[C@H](C)C1	ZINC001106112106	868402155	/nfs/dbraw/zinc/40/21/55/868402155.db2.gz	WWXQSOVMUMZXIV-ZIFCJYIRSA-N	1	0	357.498	1.975	20	30		FDEDRO
CC(C)C[C@@H](C)OCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1	ZINC001106113910	868468164	/nfs/dbraw/zinc/46/81/64/868468164.db2.gz	OBKXUONONCUXKR-BRWVUGGUSA-N	1	0	366.506	1.152	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2nc(CC(C)C)no2)[C@H](C)C1	ZINC001106114990	868512325	/nfs/dbraw/zinc/51/23/25/868512325.db2.gz	KIIQTBUMBZMATE-HZPDHXFCSA-N	1	0	362.474	1.492	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2ccccc2)[C@H](C)C1	ZINC001106115019	868514333	/nfs/dbraw/zinc/51/43/33/868514333.db2.gz	LVYAAPNUKWBDQH-IEBWSBKVSA-N	1	0	371.481	1.027	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CCc2ccc(OC)cc2)[C@H](C)C1	ZINC001106116891	868581354	/nfs/dbraw/zinc/58/13/54/868581354.db2.gz	RNMORPDPJBJNQD-ZIFCJYIRSA-N	1	0	358.482	1.960	20	30		FDEDRO
C#Cc1ccc(C(=O)NCC2CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1	ZINC000992273381	868732000	/nfs/dbraw/zinc/73/20/00/868732000.db2.gz	WALNHTYHADLAPG-WLHONDITSA-N	1	0	353.466	1.633	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)OCCCCCC)C[C@H]1C	ZINC001106120671	868738882	/nfs/dbraw/zinc/73/88/82/868738882.db2.gz	CCBKKIZSIUKEBT-FGTMMUONSA-N	1	0	367.534	1.958	20	30		FDEDRO
C[NH+](C)CCOc1cccc(NC(=O)C(=O)NCc2cccc(C#N)c2)c1	ZINC000491411020	869276777	/nfs/dbraw/zinc/27/67/77/869276777.db2.gz	TWJVVAIKRUVRBU-UHFFFAOYSA-N	1	0	366.421	1.754	20	30		FDEDRO
C[NH+](C)CC1(O)CCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000913678266	869379475	/nfs/dbraw/zinc/37/94/75/869379475.db2.gz	ZJDURDQERIROHN-UHFFFAOYSA-N	1	0	354.372	1.972	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)cc1	ZINC000913686550	869413902	/nfs/dbraw/zinc/41/39/02/869413902.db2.gz	ZPIOVLHFDFVDAA-PMACEKPBSA-N	1	0	374.444	1.773	20	30		FDEDRO
Cc1cc(C[NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)ccc1C#N	ZINC000443965000	870128613	/nfs/dbraw/zinc/12/86/13/870128613.db2.gz	JYPDALCSVMGZPR-UHFFFAOYSA-N	1	0	364.453	1.485	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)[C@@H](C)CC)C[C@]3(C)C2)CC1	ZINC000992620952	870888543	/nfs/dbraw/zinc/88/85/43/870888543.db2.gz	DMRAAQDZJBBIBQ-DJPFJPOOSA-N	1	0	359.514	1.685	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(Cn3cccn3)o2)C[C@H]1C	ZINC001106161097	871504749	/nfs/dbraw/zinc/50/47/49/871504749.db2.gz	OYXITJSYGFUXBV-IAGOWNOFSA-N	1	0	370.453	1.472	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2cccc(C(N)=O)c2)[C@H](OC)C1	ZINC001212472015	871511206	/nfs/dbraw/zinc/51/12/06/871511206.db2.gz	IHXVTNOWXSCLQK-QZTJIDSGSA-N	1	0	359.470	1.961	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2nn(C)cc2Cl)C[C@H]1C	ZINC001106171257	871575835	/nfs/dbraw/zinc/57/58/35/871575835.db2.gz	PFXQVPXEKVAQSI-FRRDWIJNSA-N	1	0	367.881	1.062	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cnc4n3CCOC4)C2=O)cc1	ZINC000922055756	871637142	/nfs/dbraw/zinc/63/71/42/871637142.db2.gz	WUMATJKQAZTQQH-QGZVFWFLSA-N	1	0	351.410	1.176	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1nc(Cl)c(C#N)s1	ZINC000888419652	871682677	/nfs/dbraw/zinc/68/26/77/871682677.db2.gz	XTKIBSBAFREBKT-SECBINFHSA-N	1	0	357.867	1.977	20	30		FDEDRO
C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1nc(Cl)c(C#N)s1	ZINC000888419653	871684021	/nfs/dbraw/zinc/68/40/21/871684021.db2.gz	XTKIBSBAFREBKT-VIFPVBQESA-N	1	0	357.867	1.977	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)OCC)C2)CC1	ZINC000922069570	871789893	/nfs/dbraw/zinc/78/98/93/871789893.db2.gz	YDEOWLZXUAHREA-JKSUJKDBSA-N	1	0	364.490	1.640	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2COC)[C@H](OC)C1	ZINC001212481251	871939321	/nfs/dbraw/zinc/93/93/21/871939321.db2.gz	JAJUAMSIEXJVEQ-FRFSOERESA-N	1	0	350.463	1.350	20	30		FDEDRO
C[N@H+](CCNC(=O)c1ccccc1-c1ccccc1C#N)CCOCCO	ZINC000922125424	872256204	/nfs/dbraw/zinc/25/62/04/872256204.db2.gz	IEUWKBZOFXYQKY-UHFFFAOYSA-N	1	0	367.449	1.896	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]2C)cc1	ZINC000994403882	882612056	/nfs/dbraw/zinc/61/20/56/882612056.db2.gz	AAVQHQQLZVIFOD-CDHQVMDDSA-N	1	0	367.493	1.832	20	30		FDEDRO
CN1CC[NH+](CC2(C)CCN(S(=O)(=O)CC(C)(C)C#N)CC2)CC1	ZINC000914366311	872533799	/nfs/dbraw/zinc/53/37/99/872533799.db2.gz	NPFKMYOTIOUZHJ-UHFFFAOYSA-N	1	0	356.536	1.215	20	30		FDEDRO
C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)C1=O	ZINC001003330355	873138457	/nfs/dbraw/zinc/13/84/57/873138457.db2.gz	ABRXTTOZJVBZPR-DZJNRPSUSA-N	1	0	361.486	1.169	20	30		FDEDRO
C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C2	ZINC000992898264	873138823	/nfs/dbraw/zinc/13/88/23/873138823.db2.gz	JUDRXZVHYJXUTI-RCZSKKKRSA-N	1	0	369.509	1.581	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]3(C)C2)C1	ZINC000992899360	873144989	/nfs/dbraw/zinc/14/49/89/873144989.db2.gz	QECQDQPMOBGOCH-XQBPLPMBSA-N	1	0	371.525	1.685	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(CCC)s2)C[C@H]1C	ZINC001106185600	873176466	/nfs/dbraw/zinc/17/64/66/873176466.db2.gz	RLVYDYDMKXIOMO-HUUCEWRRSA-N	1	0	361.511	1.748	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C)C(C)C)CC1	ZINC001003364947	873183365	/nfs/dbraw/zinc/18/33/65/873183365.db2.gz	FKPMQULPMLMAGZ-OWYHZJEWSA-N	1	0	359.514	1.872	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(C)on2)CC1	ZINC001003362646	873215387	/nfs/dbraw/zinc/21/53/87/873215387.db2.gz	CSAAOOBGYUACCE-NUJGCVRESA-N	1	0	370.453	1.190	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(C#N)[nH]1	ZINC001003367034	873221905	/nfs/dbraw/zinc/22/19/05/873221905.db2.gz	BKSIXOLABRIPFX-BGTYHANMSA-N	1	0	369.469	1.622	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC2(F)F)CC1	ZINC001003365379	873244451	/nfs/dbraw/zinc/24/44/51/873244451.db2.gz	LVLMLEDSTNRXTE-FPCVCCKLSA-N	1	0	365.424	1.235	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc3occc3[nH]2)C[C@H]1C	ZINC001106194212	873272314	/nfs/dbraw/zinc/27/23/14/873272314.db2.gz	CAPRFXFXFIIEFN-HZSPNIEDSA-N	1	0	358.442	1.749	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](C[NH2+]Cc2cnn(CC)n2)[C@H](C)C1)OCC	ZINC001106197466	873477883	/nfs/dbraw/zinc/47/78/83/873477883.db2.gz	YNQNTCFRKXXZJW-NUJGCVRESA-N	1	0	363.506	1.853	20	30		FDEDRO
CCn1ccc(C(=O)N[C@@H]2CN(CC#Cc3ccccc3)C[C@@H]2O)c1C	ZINC001083718747	873495054	/nfs/dbraw/zinc/49/50/54/873495054.db2.gz	UEFZVENYAMDCRY-UXHICEINSA-N	1	0	351.450	1.643	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC(OC)C2)C3)CC1	ZINC001003464451	873516208	/nfs/dbraw/zinc/51/62/08/873516208.db2.gz	UNDNRHKLMDEALZ-MYZTUTKLSA-N	1	0	373.497	1.005	20	30		FDEDRO
C=C(C)[C@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(C)C)[C@H](C)C1)OCC	ZINC001106198739	873599231	/nfs/dbraw/zinc/59/92/31/873599231.db2.gz	MCSFUPPEJGJFRQ-KURKYZTESA-N	1	0	367.534	1.814	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCOC)C2)C[C@H]1C	ZINC001106198482	873602352	/nfs/dbraw/zinc/60/23/52/873602352.db2.gz	CDDCPUVOTQYURD-IXDOHACOSA-N	1	0	351.491	1.132	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)CC1	ZINC000922193448	873643773	/nfs/dbraw/zinc/64/37/73/873643773.db2.gz	KBAZOYMTYJYHBB-UHFFFAOYSA-N	1	0	369.509	1.884	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C)C1	ZINC000993016453	873698904	/nfs/dbraw/zinc/69/89/04/873698904.db2.gz	VKLHKZMMCHSTDS-LQWHRVPQSA-N	1	0	357.498	1.581	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)C[C@H]1C	ZINC001106210726	873773524	/nfs/dbraw/zinc/77/35/24/873773524.db2.gz	BQLCCLDCIQGJPU-IAGOWNOFSA-N	1	0	371.547	1.452	20	30		FDEDRO
C[N@H+](CC(=O)N1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@]2(C)C1)C1CCC1	ZINC000993038887	873842403	/nfs/dbraw/zinc/84/24/03/873842403.db2.gz	DHIFXRDDDXBTEM-MGPUTAFESA-N	1	0	369.469	1.291	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]CC(=O)Nc3cnccn3)[C@H](C)C2)CCC1	ZINC001106236144	874062326	/nfs/dbraw/zinc/06/23/26/874062326.db2.gz	BMJYMMRBANUHJA-HZPDHXFCSA-N	1	0	369.469	1.293	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(F)c(F)c2)C[C@H]1C	ZINC001106252470	874144867	/nfs/dbraw/zinc/14/48/67/874144867.db2.gz	OOSNEYYEWWQZIO-UMVBOHGHSA-N	1	0	365.424	1.953	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC[NH+](C)CC2)C3)nc1	ZINC001003746180	874155225	/nfs/dbraw/zinc/15/52/25/874155225.db2.gz	RDWATFPMYYYVFQ-QRQLOZEOSA-N	1	0	366.465	1.266	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)C#Cc1ccc2c(c1)OCO2	ZINC000761751220	874180124	/nfs/dbraw/zinc/18/01/24/874180124.db2.gz	DLKNZWLQOMFOEL-UHFFFAOYSA-N	1	0	365.389	1.566	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CNC(=O)c3ccccc32)C[C@H]1C	ZINC001106261208	874214996	/nfs/dbraw/zinc/21/49/96/874214996.db2.gz	WWWBVGZIDZRGCS-MDZRGWNJSA-N	1	0	371.481	1.400	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH]c(=O)[nH]c32)C[C@H]1C	ZINC001106264015	874245624	/nfs/dbraw/zinc/24/56/24/874245624.db2.gz	VSCBYOXRFUVTFU-ZIAGYGMSSA-N	1	0	358.442	1.769	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)CN(CCc2ccccc2)C(C)=O)CC1	ZINC000761771355	874286113	/nfs/dbraw/zinc/28/61/13/874286113.db2.gz	DEPYIWCXPFCPEM-UHFFFAOYSA-N	1	0	355.482	1.682	20	30		FDEDRO
CCN(C(=O)Cn1cnc(C#N)n1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1	ZINC000495060039	874425051	/nfs/dbraw/zinc/42/50/51/874425051.db2.gz	PMGPVWLRBMTWCZ-DOTOQJQBSA-N	1	0	352.442	1.834	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)CN1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000495082237	874486643	/nfs/dbraw/zinc/48/66/43/874486643.db2.gz	ILUABTZNFLCFRJ-UYAOXDASSA-N	1	0	360.498	1.809	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CC(OC)C2)C[C@H]1C	ZINC001106292090	874544501	/nfs/dbraw/zinc/54/45/01/874544501.db2.gz	YSUMCFQVKPINFF-RZZCCWGQSA-N	1	0	365.518	1.520	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnc3cc[nH]c3c2)C[C@H]1C	ZINC001106301178	874612848	/nfs/dbraw/zinc/61/28/48/874612848.db2.gz	MKGITYLWVQWHJM-IJEWVQPXSA-N	1	0	369.469	1.551	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCc3ccccc32)C[C@H]1C	ZINC001106322653	874761931	/nfs/dbraw/zinc/76/19/31/874761931.db2.gz	POUUJIPGYOFCSJ-POAQFYNOSA-N	1	0	367.493	1.540	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ncc(F)cc2F)C[C@H]1C	ZINC001106324431	874782322	/nfs/dbraw/zinc/78/23/22/874782322.db2.gz	OVHGGCRGFWQNBN-JHJVBQTASA-N	1	0	366.412	1.348	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2cccn2)[C@@H](n2ccnn2)C1	ZINC001128723860	882877418	/nfs/dbraw/zinc/87/74/18/882877418.db2.gz	IUGSMXRSKCMNRK-BBWFWOEESA-N	1	0	357.462	1.261	20	30		FDEDRO
C=C(C)COCC[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl	ZINC000761987748	874946004	/nfs/dbraw/zinc/94/60/04/874946004.db2.gz	TXESYGVUHLWIBN-CYBMUJFWSA-N	1	0	361.895	1.887	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccnc2C2CC2)C[C@H]1C	ZINC001106376065	874968955	/nfs/dbraw/zinc/96/89/55/874968955.db2.gz	SKDICZNLTYEKGC-HLLBOEOZSA-N	1	0	370.497	1.947	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cncc3[nH]ccc32)C[C@H]1C	ZINC001106375964	874969089	/nfs/dbraw/zinc/96/90/89/874969089.db2.gz	QCGYMXJRWWGCJU-ZIAGYGMSSA-N	1	0	355.442	1.163	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(OC)nc(OC)c2)C[C@H]1C	ZINC001106376035	874969201	/nfs/dbraw/zinc/96/92/01/874969201.db2.gz	RSYMTKZFSSMQPB-GDBMZVCRSA-N	1	0	361.442	1.046	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2cccnc2)C[C@H]1C	ZINC001106384119	875001607	/nfs/dbraw/zinc/00/16/07/875001607.db2.gz	ZSPLPSBFMZJETD-JFIYKMOQSA-N	1	0	358.486	1.389	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c3ccccc32)C[C@H]1C	ZINC001106384225	875005361	/nfs/dbraw/zinc/00/53/61/875005361.db2.gz	DYTBHMJOJDWZFL-OWCLPIDISA-N	1	0	366.465	1.604	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2snnc2CC)C[C@H]1C	ZINC001106390750	875051749	/nfs/dbraw/zinc/05/17/49/875051749.db2.gz	BGKQNQBUCDJYMY-JHJVBQTASA-N	1	0	365.503	1.089	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(OC)nc2)C[C@H]1C	ZINC001106399711	875092910	/nfs/dbraw/zinc/09/29/10/875092910.db2.gz	NVJWDNZHJZQFJM-IJEWVQPXSA-N	1	0	360.458	1.079	20	30		FDEDRO
C#Cc1cccc(NC(=O)CN(C)CCc2nnnn2-c2ccccc2)c1	ZINC000917065896	882901257	/nfs/dbraw/zinc/90/12/57/882901257.db2.gz	XTTFUEGVWHTFHK-UHFFFAOYSA-N	1	0	360.421	1.757	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2scnc2C(F)F)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106412442	875159586	/nfs/dbraw/zinc/15/95/86/875159586.db2.gz	PQAFQEMXQGUSFP-NXEZZACHSA-N	1	0	371.413	1.018	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3[nH]nc(C)c3c2)C[C@H]1C	ZINC001106411015	875178642	/nfs/dbraw/zinc/17/86/42/875178642.db2.gz	WUZBEFOMBIOCGC-RHSMWYFYSA-N	1	0	354.454	1.819	20	30		FDEDRO
CCOc1cc(C=NNC(N)=[NH2+])ccc1OCC(=O)N(C(C)C)C(C)C	ZINC000915051233	875353465	/nfs/dbraw/zinc/35/34/65/875353465.db2.gz	YKZNFGHCNLBRCE-UHFFFAOYSA-N	1	0	363.462	1.926	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3nncn3CC2)C[C@H]1C	ZINC001106450602	875358319	/nfs/dbraw/zinc/35/83/19/875358319.db2.gz	OWRQJDMJLVTUGX-BPLDGKMQSA-N	1	0	351.882	1.667	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@]2(C)c2ccccc2)C[C@H]1C	ZINC001106453773	875389689	/nfs/dbraw/zinc/38/96/89/875389689.db2.gz	WJYCYWVTPVEOOM-KZFRKFNSSA-N	1	0	367.493	1.398	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2C[C@H]2C2CC2)C[C@H]1C	ZINC001106453579	875389702	/nfs/dbraw/zinc/38/97/02/875389702.db2.gz	PEUSLGRAOVVIDM-LULLPPNCSA-N	1	0	374.529	1.869	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ncc(C)cc2C)C[C@H]1C	ZINC001106458612	875433762	/nfs/dbraw/zinc/43/37/62/875433762.db2.gz	FVZKQFPICTUASZ-IXDOHACOSA-N	1	0	356.470	1.134	20	30		FDEDRO
NC(=[NH+]OC[C@H]1CC2(CC2)C(=O)O1)c1ccc(N2CCC(O)CC2)cc1	ZINC000762209170	875476271	/nfs/dbraw/zinc/47/62/71/875476271.db2.gz	LIQOSOHCSMCQDE-MRXNPFEDSA-N	1	0	359.426	1.380	20	30		FDEDRO
N#Cc1ccc(CN2C[C@@H](NC(=O)[C@@H]3Cc4ccc(F)cc43)[C@@H](O)C2)s1	ZINC001083729985	875526382	/nfs/dbraw/zinc/52/63/82/875526382.db2.gz	KKNBSOLYKPASGE-KURKYZTESA-N	1	0	371.437	1.760	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)COCC(F)F)C[C@H]1C	ZINC001106473484	875537415	/nfs/dbraw/zinc/53/74/15/875537415.db2.gz	OGTAYCINKYDYGU-MWLCHTKSSA-N	1	0	355.223	1.861	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COCCN2CC(F)F)C[C@H]1C	ZINC001106476473	875577996	/nfs/dbraw/zinc/57/79/96/875577996.db2.gz	HZLIFDDEFMMFJA-OAGGEKHMSA-N	1	0	359.461	1.603	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]Cc2csnn2)[C@H](C)C1	ZINC001106486039	875639838	/nfs/dbraw/zinc/63/98/38/875639838.db2.gz	JRHVTORTIUFIGL-CPUCHLNUSA-N	1	0	352.504	1.951	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](C[NH2+]CCc2cnn(C)c2)[C@H](C)C1	ZINC001106485957	875640031	/nfs/dbraw/zinc/64/00/31/875640031.db2.gz	INLCYBFKGWFSBS-YVWKXTFCSA-N	1	0	362.518	1.876	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O)C1CC[NH+](C)CC1	ZINC000915170371	875661922	/nfs/dbraw/zinc/66/19/22/875661922.db2.gz	AMAVGNDFGUHCLV-LJQANCHMSA-N	1	0	368.481	1.527	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@]3(C)C2)cn1	ZINC000993189789	875770532	/nfs/dbraw/zinc/77/05/32/875770532.db2.gz	ACWJKTCOFZDILD-YRISNDGFSA-N	1	0	368.481	1.324	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@]2(C)C=CCC2)C[C@H]1C	ZINC001106538805	875903778	/nfs/dbraw/zinc/90/37/78/875903778.db2.gz	WPIYGKMTWDSKOE-CLCXKQKWSA-N	1	0	362.474	1.039	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](C[NH2+]CCN2CCCS2(=O)=O)[C@H](C)C1	ZINC001106563693	875963055	/nfs/dbraw/zinc/96/30/55/875963055.db2.gz	INRUFJVLNDHHFY-GVDBMIGSSA-N	1	0	371.547	1.308	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)[C@H](C)C1	ZINC001106564049	875963965	/nfs/dbraw/zinc/96/39/65/875963965.db2.gz	QZRIOVRCLWJRTD-BZUAXINKSA-N	1	0	359.536	1.164	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H](C[NH2+]CCCN2C(=O)CNC2=O)[C@H](C)C1	ZINC001106567319	875976355	/nfs/dbraw/zinc/97/63/55/875976355.db2.gz	CWHSPTIQGXULGX-OWCLPIDISA-N	1	0	364.490	1.215	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)N(C)CC(F)(F)F)C[C@H]1C	ZINC001106574584	875993699	/nfs/dbraw/zinc/99/36/99/875993699.db2.gz	KYJGZVIIVTZIGL-QLFBSQMISA-N	1	0	363.424	1.203	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106579795	876023704	/nfs/dbraw/zinc/02/37/04/876023704.db2.gz	SWEKEUJLJPAWPF-MDYRTPRTSA-N	1	0	362.420	1.990	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)Nc2ncccn2)[C@H](C)C1	ZINC001106609720	876181397	/nfs/dbraw/zinc/18/13/97/876181397.db2.gz	LTTSQGPWAQXLKJ-OWCLPIDISA-N	1	0	359.474	1.844	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc(Cl)c2F)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106614979	876213007	/nfs/dbraw/zinc/21/30/07/876213007.db2.gz	JDCGDWXLMBUEAH-VXGBXAGGSA-N	1	0	366.824	1.417	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](OC)C(C)C)C[C@H]1C	ZINC001106628084	876270790	/nfs/dbraw/zinc/27/07/90/876270790.db2.gz	FOKLBMFYRBIMEO-ZHALLVOQSA-N	1	0	365.518	1.542	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)[C@H](C)C1	ZINC001106629068	876274965	/nfs/dbraw/zinc/27/49/65/876274965.db2.gz	DCIZLIWPGCHUSI-BFYDXBDKSA-N	1	0	359.536	1.164	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)NC(N)=O)[C@H](C)C2)CC1	ZINC001106633569	876284044	/nfs/dbraw/zinc/28/40/44/876284044.db2.gz	MYGYVBMRGSWLSB-UMVBOHGHSA-N	1	0	350.463	1.000	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+][C@@H](CCCC)C(N)=O)[C@H](C)C2)c1	ZINC001106650480	876387915	/nfs/dbraw/zinc/38/79/15/876387915.db2.gz	PEMSALAJSHMOSG-OLMNPRSZSA-N	1	0	356.470	1.405	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC(F)(F)C(F)F)C[C@H]1C	ZINC001106670707	876492163	/nfs/dbraw/zinc/49/21/63/876492163.db2.gz	MFIHKKSNPPSRIH-GRYCIOLGSA-N	1	0	367.387	1.652	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)NC(C)=O)C[C@H]1C	ZINC001106687561	876566451	/nfs/dbraw/zinc/56/64/51/876566451.db2.gz	VEHFCBKVFGHVDS-LERXQTSPSA-N	1	0	360.296	1.494	20	30		FDEDRO
Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)c(F)c1F	ZINC001106688704	876568594	/nfs/dbraw/zinc/56/85/94/876568594.db2.gz	RNLPSJOXXCDGOU-CHWSQXEVSA-N	1	0	364.396	1.211	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH]ccc32)C[C@H]1C	ZINC001106688812	876568613	/nfs/dbraw/zinc/56/86/13/876568613.db2.gz	URQALCJGIDMHHL-HUUCEWRRSA-N	1	0	352.438	1.215	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CNC(=O)c2cccnc2)C[C@H]1C	ZINC001106688790	876568701	/nfs/dbraw/zinc/56/87/01/876568701.db2.gz	UKSYHBOYGVVXFN-SOLBZPMBSA-N	1	0	358.486	1.850	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2ccccc2C)C[C@H]1C	ZINC001106699135	876607312	/nfs/dbraw/zinc/60/73/12/876607312.db2.gz	OSWIQGOLZVLZKA-WSTZPKSXSA-N	1	0	369.509	1.750	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)ccc2F)C[C@H]1C	ZINC001106703575	876660321	/nfs/dbraw/zinc/66/03/21/876660321.db2.gz	SZEQYLTXGYIZAG-OWCLPIDISA-N	1	0	359.445	1.570	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H](C)n2cccn2)[C@@H](n2ccnn2)C1	ZINC001128737106	883056722	/nfs/dbraw/zinc/05/67/22/883056722.db2.gz	XWVZUYQORPADTD-KSZLIROESA-N	1	0	371.489	1.824	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)OCCOC)C[C@H]1C	ZINC001106726125	876989715	/nfs/dbraw/zinc/98/97/15/876989715.db2.gz	CAGLERMGZYDWNG-MRVWCRGKSA-N	1	0	363.296	1.631	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC(=C)C)NC(C)=O)C[C@H]1C	ZINC001106733623	877272695	/nfs/dbraw/zinc/27/26/95/877272695.db2.gz	CCBJMNIFHIQAOI-KBAYOESNSA-N	1	0	351.491	1.344	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2cscn2)C[C@H]1C	ZINC001106736683	877320599	/nfs/dbraw/zinc/32/05/99/877320599.db2.gz	PPDHCISVSXRIQM-HZSPNIEDSA-N	1	0	350.488	1.060	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)C1	ZINC000999187531	912219849	/nfs/dbraw/zinc/21/98/49/912219849.db2.gz	VFMHBMNOUOQURW-XJKCOSOUSA-N	1	0	360.483	1.615	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(C#N)[nH]1	ZINC001003866128	877400069	/nfs/dbraw/zinc/40/00/69/877400069.db2.gz	UOUWBEVOQHREDG-SIXLDLHFSA-N	1	0	355.442	1.232	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CC[C@@]2(C1)CN(Cc1ccccc1)C[C@@H](C)O2	ZINC000922297921	877404226	/nfs/dbraw/zinc/40/42/26/877404226.db2.gz	CWTGKCVOHCQFRN-NQIIRXRSSA-N	1	0	357.498	1.996	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC=C)[C@H](C)C2)cc1	ZINC001106742798	877410726	/nfs/dbraw/zinc/41/07/26/877410726.db2.gz	SCZSRQCEDJQOSG-SJLPKXTDSA-N	1	0	369.465	1.299	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)C)[C@H](C)C1	ZINC001106748711	877465199	/nfs/dbraw/zinc/46/51/99/877465199.db2.gz	MBLMYNQFMWUPDO-VXNCWWDNSA-N	1	0	365.518	1.566	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1	ZINC001106748695	877465228	/nfs/dbraw/zinc/46/52/28/877465228.db2.gz	LEBDAXWIXDBQSA-NCOADZHNSA-N	1	0	372.531	1.086	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(C)C)[C@H](C)C1	ZINC001106752863	877523607	/nfs/dbraw/zinc/52/36/07/877523607.db2.gz	PXAKJJJDNDIEAI-VXNCWWDNSA-N	1	0	365.518	1.424	20	30		FDEDRO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H](CO)C2CC2)c1C#N	ZINC000763064189	877711048	/nfs/dbraw/zinc/71/10/48/877711048.db2.gz	DSUDPRZKGYCQAE-KRWDZBQOSA-N	1	0	356.426	1.917	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4ccnc4)cc3)[C@H]2C1	ZINC001083155297	912269377	/nfs/dbraw/zinc/26/93/77/912269377.db2.gz	LQJLAXYNXCVASH-RBUKOAKNSA-N	1	0	350.422	1.421	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@@]3(C)C2)C1	ZINC000993386823	877755327	/nfs/dbraw/zinc/75/53/27/877755327.db2.gz	MUFSOMYBOSXCMP-UTKZUKDTSA-N	1	0	359.514	1.991	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@]34C[C@H]3COC4)C2)cc1C#N	ZINC000999203293	912272364	/nfs/dbraw/zinc/27/23/64/912272364.db2.gz	OJYMUNKFOOUVTN-QKLQHJQFSA-N	1	0	355.438	1.684	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccnc(NC(C)=O)c2)C[C@H]1C	ZINC001106780670	877805098	/nfs/dbraw/zinc/80/50/98/877805098.db2.gz	HIOXDBXGNIALSP-RHSMWYFYSA-N	1	0	360.458	1.540	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2NC(=O)c3ccccc32)C[C@H]1C	ZINC001106788343	877925058	/nfs/dbraw/zinc/92/50/58/877925058.db2.gz	REBPMKQZWUNDCU-GPMSIDNRSA-N	1	0	369.465	1.195	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4nc(C)nn4C3)[C@H]2C1	ZINC001083151360	912297341	/nfs/dbraw/zinc/29/73/41/912297341.db2.gz	VRCOZAWCSJEICR-IXDOHACOSA-N	1	0	359.474	1.027	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nccs2)C[C@H]1C	ZINC001106794648	877964233	/nfs/dbraw/zinc/96/42/33/877964233.db2.gz	ANOKTJGQTYHJPD-HUUCEWRRSA-N	1	0	362.499	1.641	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cnc3c(cnn3C)c2)C[C@H]1C	ZINC001106802006	878037254	/nfs/dbraw/zinc/03/72/54/878037254.db2.gz	LWTYYCUURCYZQJ-RHSMWYFYSA-N	1	0	357.458	1.469	20	30		FDEDRO
C#CCOc1ccc(C[NH2+][C@H]2CCC(=O)N(C)[C@@H]2c2ccnn2C)cc1	ZINC000922404602	878070605	/nfs/dbraw/zinc/07/06/05/878070605.db2.gz	OLZGHOQZYGIJDL-PXNSSMCTSA-N	1	0	352.438	1.884	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccn2C2CCCC2)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106804715	878074473	/nfs/dbraw/zinc/07/44/73/878074473.db2.gz	BUTDHFYCNFWDAI-HZPDHXFCSA-N	1	0	371.485	1.541	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2nccc3cccnc32)[C@H](OC)C1	ZINC001212418820	912326248	/nfs/dbraw/zinc/32/62/48/912326248.db2.gz	NEDVUBFLKXKOOK-HZPDHXFCSA-N	1	0	356.426	1.261	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2n[nH]c3c2C[C@H](C)CC3)C[C@H]1C	ZINC001106823406	878301449	/nfs/dbraw/zinc/30/14/49/878301449.db2.gz	GEHCYCWACUPWSW-BZUAXINKSA-N	1	0	358.486	1.482	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N(C)[C@@H]2CCN(Cc3ccccc3C#N)C2)C1	ZINC001033085157	878809849	/nfs/dbraw/zinc/80/98/49/878809849.db2.gz	OISXDUXBSYOIAC-ZTFGCOKTSA-N	1	0	354.454	1.506	20	30		FDEDRO
COc1ccc(CN2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C#N	ZINC001033092529	878874687	/nfs/dbraw/zinc/87/46/87/878874687.db2.gz	AOFQRNLOHYYZPO-AYOQOUSVSA-N	1	0	370.497	1.940	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCO[C@H](c2ccnn2C)C1)C1CC[NH+](C)CC1	ZINC000922749652	879162197	/nfs/dbraw/zinc/16/21/97/879162197.db2.gz	QLORYVZEGSZBGY-QAPCUYQASA-N	1	0	359.474	1.379	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC(=O)N(C)C)CC1	ZINC001004546769	879846322	/nfs/dbraw/zinc/84/63/22/879846322.db2.gz	LDSJECIOSDFDGJ-KURKYZTESA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)c2cccc(C[NH+](C)C)c2)C1	ZINC000993844902	879886379	/nfs/dbraw/zinc/88/63/79/879886379.db2.gz	VLMLCPGATLZFIK-MOPGFXCFSA-N	1	0	371.481	1.670	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC000993872196	879926436	/nfs/dbraw/zinc/92/64/36/879926436.db2.gz	PSDDWUDZKMYWGX-RHSMWYFYSA-N	1	0	371.485	1.443	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(OC)nn2)C[C@H]1C	ZINC001106836071	880057434	/nfs/dbraw/zinc/05/74/34/880057434.db2.gz	YQZOLEVSBXCOLT-ZYHUDNBSSA-N	1	0	369.263	1.692	20	30		FDEDRO
Cn1cc(C[NH+]2CCC3(CC2)NC(=O)NC3=O)c(-c2ccc(C#N)cc2)n1	ZINC000272717553	880707047	/nfs/dbraw/zinc/70/70/47/880707047.db2.gz	DPGDQUNUJVOMSW-UHFFFAOYSA-N	1	0	364.409	1.133	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C	ZINC000994139363	880906517	/nfs/dbraw/zinc/90/65/17/880906517.db2.gz	KPUZULVDKNMNPB-QGPMSJSTSA-N	1	0	371.485	1.585	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)C3(C)CC(=C)C3)C[C@H]2C)CC1	ZINC000994141367	880913662	/nfs/dbraw/zinc/91/36/62/880913662.db2.gz	UDVLGTWLEAJIPJ-IEBWSBKVSA-N	1	0	371.525	1.899	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CNC(=O)c2cscn2)C[C@H]1C	ZINC001106846035	881002477	/nfs/dbraw/zinc/00/24/77/881002477.db2.gz	QYCMESZWAYVIEM-QLFBSQMISA-N	1	0	364.515	1.912	20	30		FDEDRO
COCCCOCC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1	ZINC001106851593	881123494	/nfs/dbraw/zinc/12/34/94/881123494.db2.gz	UHXDRHHWFNJGTR-UYAOXDASSA-N	1	0	358.482	1.775	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1C[C@@H](C[NH2+][C@@H](CC)C(N)=O)[C@H](C)C1	ZINC001106858677	881139807	/nfs/dbraw/zinc/13/98/07/881139807.db2.gz	PZMUNKREBGIAQG-KFWWJZLASA-N	1	0	360.458	1.208	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](CCC3CCCCC3)C[C@@H]2O)nn1	ZINC001083846490	881179101	/nfs/dbraw/zinc/17/91/01/881179101.db2.gz	BBTJSZYKKXQBEX-AEFFLSMTSA-N	1	0	361.490	1.600	20	30		FDEDRO
C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCN1CC[NH+](C)CC1	ZINC000673732662	881307906	/nfs/dbraw/zinc/30/79/06/881307906.db2.gz	LYDZXLKGPAVIDM-UHFFFAOYSA-N	1	0	369.469	1.414	20	30		FDEDRO
CCN(C(=O)[C@H]1C[C@@H](C)CC(=O)N1)[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1	ZINC001033836234	883187912	/nfs/dbraw/zinc/18/79/12/883187912.db2.gz	HLCWJFYZTKDMBF-AYOQOUSVSA-N	1	0	368.481	1.896	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)C=C2CCCCC2)[C@@H](n2ccnn2)C1	ZINC001128759593	883261031	/nfs/dbraw/zinc/26/10/31/883261031.db2.gz	ZNXLEJDQNNFLCH-MSOLQXFVSA-N	1	0	359.474	1.713	20	30		FDEDRO
CC(C)(C#N)CS(=O)(=O)NCC1CC[NH+](Cc2ccncc2)CC1	ZINC000917250520	883261419	/nfs/dbraw/zinc/26/14/19/883261419.db2.gz	NAVTWRHZALIBHT-UHFFFAOYSA-N	1	0	350.488	1.763	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cocc2C)C3)CC1	ZINC000999382378	912689473	/nfs/dbraw/zinc/68/94/73/912689473.db2.gz	GWCRLWVRXQRJAM-NEWSRXKRSA-N	1	0	369.465	1.795	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)C1	ZINC001033960282	883626776	/nfs/dbraw/zinc/62/67/76/883626776.db2.gz	PQLPNDOSEHVGKW-KURKYZTESA-N	1	0	359.470	1.399	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)CC(C)(C)C1	ZINC001089389276	883683559	/nfs/dbraw/zinc/68/35/59/883683559.db2.gz	NHQHHZBUVQAPFH-XHSDSOJGSA-N	1	0	351.491	1.320	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](CCCc2ccsc2)C[C@@H]1n1ccnn1	ZINC001128829723	883754150	/nfs/dbraw/zinc/75/41/50/883754150.db2.gz	JCTCLPHSTUBCTK-IMJJTQAJSA-N	1	0	358.471	1.474	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C)[C@@H](n2ccnn2)C1	ZINC001128830430	883756083	/nfs/dbraw/zinc/75/60/83/883756083.db2.gz	SIPACPVYRBRPOU-SQNIBIBYSA-N	1	0	362.522	1.684	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](CCCCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001128830734	883757551	/nfs/dbraw/zinc/75/75/51/883757551.db2.gz	WOJHEGRABTXTDW-QRQLOZEOSA-N	1	0	366.469	1.802	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)COCCOC)[C@@H](n2ccnn2)C1	ZINC001128835123	883806264	/nfs/dbraw/zinc/80/62/64/883806264.db2.gz	YTNXHLRHIIKDFI-SJORKVTESA-N	1	0	365.478	1.029	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](n2ccnn2)C1	ZINC001128878506	883920367	/nfs/dbraw/zinc/92/03/67/883920367.db2.gz	UMCWKOYAPTUYCP-XYPHTWIQSA-N	1	0	353.430	1.488	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCN2CCCC2=O)C1	ZINC001034220657	883959267	/nfs/dbraw/zinc/95/92/67/883959267.db2.gz	VMUYJZVUDXEGFY-KSZLIROESA-N	1	0	363.502	1.561	20	30		FDEDRO
C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC001034269467	884052967	/nfs/dbraw/zinc/05/29/67/884052967.db2.gz	FASHLYHVEUIYAJ-MJBXVCDLSA-N	1	0	350.381	1.880	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(c2ncccc2C#N)CC1)[NH+]1CCCCC1	ZINC000918122714	884120668	/nfs/dbraw/zinc/12/06/68/884120668.db2.gz	VJHJOVOHBXLPEQ-INIZCTEOSA-N	1	0	356.474	1.659	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@@H]1n1ccnn1	ZINC001128939428	884182994	/nfs/dbraw/zinc/18/29/94/884182994.db2.gz	QQDMLGSSEKVIAL-CABCVRRESA-N	1	0	351.401	1.468	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2ncc[nH]2)[C@@H](n2ccnn2)C1	ZINC001128945331	884251125	/nfs/dbraw/zinc/25/11/25/884251125.db2.gz	VHOVOZQHGCCZLC-SJORKVTESA-N	1	0	371.489	1.722	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@@H]1O	ZINC001083999419	912818521	/nfs/dbraw/zinc/81/85/21/912818521.db2.gz	OQXFOQNHDDTJIH-AHRSYUTCSA-N	1	0	356.466	1.188	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2cccc(C(N)=O)c2)C1	ZINC001034404232	884318781	/nfs/dbraw/zinc/31/87/81/884318781.db2.gz	QEXXHHMOQSBRQM-QRVBRYPASA-N	1	0	371.481	1.847	20	30		FDEDRO
C[NH+]1C[C@@]2(C)CN(S(=O)(=O)c3c(F)cc(C#N)cc3F)C[C@]2(C)C1	ZINC000918359952	884366781	/nfs/dbraw/zinc/36/67/81/884366781.db2.gz	NYFMMAHFUIFPEQ-HOTGVXAUSA-N	1	0	355.410	1.799	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(c3ccc(C#N)c(C)n3)C2)CC[N@@H+]1C	ZINC001061758030	884463648	/nfs/dbraw/zinc/46/36/48/884463648.db2.gz	VIHLGVHVIVTGLD-BPQIPLTHSA-N	1	0	355.486	1.935	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2n[nH]cc2C)[C@@H](n2ccnn2)C1	ZINC001128966727	884479175	/nfs/dbraw/zinc/47/91/75/884479175.db2.gz	KLIZSJGYSQOSHC-CVEARBPZSA-N	1	0	359.478	1.935	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1C[N@H+](CCc2ccccc2F)C[C@@H]1n1ccnn1	ZINC001128976080	884545084	/nfs/dbraw/zinc/54/50/84/884545084.db2.gz	ITHPJHNUPYSCJB-MOPGFXCFSA-N	1	0	369.444	1.661	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)O1	ZINC000999499177	912843682	/nfs/dbraw/zinc/84/36/82/912843682.db2.gz	ZSVXLUGVWUYADE-ATZDWAIDSA-N	1	0	356.470	1.358	20	30		FDEDRO
C#CCOCCC(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001078971714	884638732	/nfs/dbraw/zinc/63/87/32/884638732.db2.gz	FTYWIWNNJTWHDT-FGTMMUONSA-N	1	0	363.502	1.206	20	30		FDEDRO
COC(=O)C1CC[NH+](CCCNC(=O)COc2cccc(C#N)c2)CC1	ZINC000918578528	884668033	/nfs/dbraw/zinc/66/80/33/884668033.db2.gz	ZYEURLWVVRHQAF-UHFFFAOYSA-N	1	0	359.426	1.328	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1C[N@H+](CCc2cccs2)C[C@@H]1n1ccnn1	ZINC001128989597	884831720	/nfs/dbraw/zinc/83/17/20/884831720.db2.gz	QFMSGLAEHFNOBX-SJORKVTESA-N	1	0	355.467	1.337	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1C[N@H+](CCCc2ccccc2)C[C@@H]1n1ccnn1	ZINC001128990032	884838045	/nfs/dbraw/zinc/83/80/45/884838045.db2.gz	XFCRXJKBPPAOTQ-UXHICEINSA-N	1	0	363.465	1.666	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1=O	ZINC001034740100	884935795	/nfs/dbraw/zinc/93/57/95/884935795.db2.gz	GHSZUMAYZJHJTI-KKFZBWNWSA-N	1	0	361.486	1.358	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nncn2C)CC1	ZINC001034751031	884959745	/nfs/dbraw/zinc/95/97/45/884959745.db2.gz	HOFJWSLMKDCCNI-OVWQWFNUSA-N	1	0	361.490	1.703	20	30		FDEDRO
Cn1cc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1=O	ZINC000194749471	884961070	/nfs/dbraw/zinc/96/10/70/884961070.db2.gz	QULANFZYKDTWEE-UHFFFAOYSA-N	1	0	365.437	1.997	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)O1	ZINC000999492554	912891325	/nfs/dbraw/zinc/89/13/25/912891325.db2.gz	BHZBIKAVOIZWOX-ATZDWAIDSA-N	1	0	356.470	1.358	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC000999493906	912894293	/nfs/dbraw/zinc/89/42/93/912894293.db2.gz	MWCOHLSDOYYOEE-TUAOUCFPSA-N	1	0	356.772	1.666	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC([NH2+]CC(=O)N2CCCCC2)C1	ZINC000999540612	912912025	/nfs/dbraw/zinc/91/20/25/912912025.db2.gz	XWLHBWOZZPQDGN-AKSNENBUSA-N	1	0	363.502	1.559	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCc2cnn(C)c2C)[C@@H](n2ccnn2)C1	ZINC001129025891	885288008	/nfs/dbraw/zinc/28/80/08/885288008.db2.gz	UNOBLJDPURVFFR-MSOLQXFVSA-N	1	0	371.489	1.261	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001034960836	885423274	/nfs/dbraw/zinc/42/32/74/885423274.db2.gz	BZJCRQQEABEGRE-XCRHUMRWSA-N	1	0	361.417	1.582	20	30		FDEDRO
N#Cc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CC[C@@H](C(N)=O)C2)c1	ZINC001035051091	885552927	/nfs/dbraw/zinc/55/29/27/885552927.db2.gz	JUJHOSANRPGKOY-FGTMMUONSA-N	1	0	354.454	1.540	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnc3n2CCC3)[C@@H](n2ccnn2)C1	ZINC001129052448	885578864	/nfs/dbraw/zinc/57/88/64/885578864.db2.gz	FMKURLFNXTZMFF-UXLLHSPISA-N	1	0	369.473	1.431	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2[nH]c(=O)[nH]c2C)[C@@H](n2ccnn2)C1	ZINC001129054305	885586107	/nfs/dbraw/zinc/58/61/07/885586107.db2.gz	BIEAZYBPPIELBW-YUTCNCBUSA-N	1	0	359.434	1.025	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CCc2ccc(C)cc2)[C@@H](n2ccnn2)C1	ZINC001129093501	885723177	/nfs/dbraw/zinc/72/31/77/885723177.db2.gz	IJPCEUYVQDKWGK-MOPGFXCFSA-N	1	0	351.454	1.584	20	30		FDEDRO
C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1)CC2	ZINC001035224435	885773563	/nfs/dbraw/zinc/77/35/63/885773563.db2.gz	LCQYFVWBSFTZIH-DLBZAZTESA-N	1	0	363.502	1.513	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](CCC(C)C)C[C@@H]1n1ccnn1	ZINC001129128191	885823641	/nfs/dbraw/zinc/82/36/41/885823641.db2.gz	UALDEFQVQMBENK-AOIWGVFYSA-N	1	0	363.506	1.895	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)N(CC)CC)[C@H](C)C2)nc1	ZINC001106894918	885824866	/nfs/dbraw/zinc/82/48/66/885824866.db2.gz	ZBMXQWGMMDDCIR-JFIYKMOQSA-N	1	0	370.497	1.618	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)N(CC)CC)[C@H](C)C2)nc1	ZINC001106894919	885825335	/nfs/dbraw/zinc/82/53/35/885825335.db2.gz	ZBMXQWGMMDDCIR-SOLBZPMBSA-N	1	0	370.497	1.618	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCc2ccccn2)[C@@H](n2ccnn2)C1	ZINC001129143548	885857722	/nfs/dbraw/zinc/85/77/22/885857722.db2.gz	FBPUWFLEIKVQSP-MSOLQXFVSA-N	1	0	354.458	1.614	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(Cc3ccc(C#N)cc3)CCO2)CC[N@@H+]1C	ZINC001035375572	885947966	/nfs/dbraw/zinc/94/79/66/885947966.db2.gz	KPQWLAYPDRZTQU-ATZDWAIDSA-N	1	0	356.470	1.215	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(Cc3ccccc3C#N)CCO2)CC[N@@H+]1C	ZINC001035376753	885983923	/nfs/dbraw/zinc/98/39/23/885983923.db2.gz	SVEBAAFXTFSGMO-SLFFLAALSA-N	1	0	370.497	1.606	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1C[N@H+](CCCOC(C)C)C[C@@H]1n1ccnn1	ZINC001129189769	886158882	/nfs/dbraw/zinc/15/88/82/886158882.db2.gz	XEAOAICHYUSLRQ-MSOLQXFVSA-N	1	0	361.490	1.628	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)C(C)C)[C@H](C)C2)nc1	ZINC001106898148	886363085	/nfs/dbraw/zinc/36/30/85/886363085.db2.gz	VSFWXCUFUXOYPT-NVXWUHKLSA-N	1	0	356.470	1.227	20	30		FDEDRO
C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCO[C@H]1c1cnn(C)c1)CC2	ZINC001035724626	886376112	/nfs/dbraw/zinc/37/61/12/886376112.db2.gz	MEBYUHHTDTVTOJ-MSOLQXFVSA-N	1	0	356.470	1.445	20	30		FDEDRO
C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1OCC[C@@H]1Cn1cccn1)CC2	ZINC001035816594	886472038	/nfs/dbraw/zinc/47/20/38/886472038.db2.gz	YFBQNLPQVZXXKB-QZTJIDSGSA-N	1	0	356.470	1.236	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CN(Cc3cc4n(n3)CCC4)C2)CC1	ZINC001035800314	886481245	/nfs/dbraw/zinc/48/12/45/886481245.db2.gz	BNKKMKFCSJPQKL-MOPGFXCFSA-N	1	0	370.497	1.845	20	30		FDEDRO
C=CCCC1(C(=O)N[C@@H]2C[N@@H+](CCC[C@H](C)O)C[C@@H]2n2ccnn2)CC1	ZINC001129239133	886749702	/nfs/dbraw/zinc/74/97/02/886749702.db2.gz	PZPIZBNWINZEGQ-BBWFWOEESA-N	1	0	361.490	1.527	20	30		FDEDRO
COCCC[N@H+](C)CCNC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1	ZINC000920421038	886922593	/nfs/dbraw/zinc/92/25/93/886922593.db2.gz	HUMDPIBXXVEPIA-KRWDZBQOSA-N	1	0	374.489	1.507	20	30		FDEDRO
C#CCN(C(=O)N[C@H]1CCN(c2ccc(C)cc2)C1=O)C1CC[NH+](C)CC1	ZINC000920391837	886930456	/nfs/dbraw/zinc/93/04/56/886930456.db2.gz	SQZIBQWQEPMADB-IBGZPJMESA-N	1	0	368.481	1.839	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CN(C)c3nc(C)cc(C#N)n3)C2)CC[N@@H+]1C	ZINC001062185703	886957977	/nfs/dbraw/zinc/95/79/77/886957977.db2.gz	UXTOCJBOBSTRQD-BPQIPLTHSA-N	1	0	370.501	1.672	20	30		FDEDRO
Cc1ccc(C#N)c(N(C)C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001062186295	886972022	/nfs/dbraw/zinc/97/20/22/886972022.db2.gz	JHAJMAUQUJLARY-SOLBZPMBSA-N	1	0	355.486	1.887	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C	ZINC001062252100	887014545	/nfs/dbraw/zinc/01/45/45/887014545.db2.gz	DSOOMDDDTOWKLJ-AOIWGVFYSA-N	1	0	365.518	1.805	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCc2nn(C)c3ccccc23)CC1	ZINC000187037446	887220593	/nfs/dbraw/zinc/22/05/93/887220593.db2.gz	HQFUJKJABUKNCR-UHFFFAOYSA-N	1	0	372.473	1.641	20	30		FDEDRO
C#CC[C@@H](CO)NC(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1	ZINC000920893224	887276826	/nfs/dbraw/zinc/27/68/26/887276826.db2.gz	YHMRPFBQHPLQCV-OALUTQOASA-N	1	0	359.470	1.115	20	30		FDEDRO
N#Cc1cnc2ccccc2c1N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1	ZINC000195465924	887349909	/nfs/dbraw/zinc/34/99/09/887349909.db2.gz	IXXQDINQIUTESQ-QGZVFWFLSA-N	1	0	362.437	1.486	20	30		FDEDRO
CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@@H](C)N(CC#N)[C@H](C)C2)CC1	ZINC000921241720	887575626	/nfs/dbraw/zinc/57/56/26/887575626.db2.gz	GPLLQSHIVYUIHB-IAGOWNOFSA-N	1	0	365.522	1.504	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1C[C@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O	ZINC000922954759	887578725	/nfs/dbraw/zinc/57/87/25/887578725.db2.gz	IUVIXZNXIKPRCN-PYCASWLRSA-N	1	0	365.518	1.747	20	30		FDEDRO
C[NH+]1CCC(n2ccc(NC(=O)N[C@H]3COc4ccccc4C3)n2)CC1	ZINC000330233063	887594455	/nfs/dbraw/zinc/59/44/55/887594455.db2.gz	XSRBCPQMEUTIAT-OAHLLOKOSA-N	1	0	355.442	2.479	20	30		FDEDRO
N#Cc1c(F)cccc1-n1ccc(NC(=O)NCCNc2cc[nH+]cc2)n1	ZINC000498769716	887610467	/nfs/dbraw/zinc/61/04/67/887610467.db2.gz	WLGDPZWWXOTJEA-UHFFFAOYSA-N	1	0	365.372	1.934	20	30		FDEDRO
CC(C)(C)n1cnc(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)n1	ZINC000329767607	887622606	/nfs/dbraw/zinc/62/26/06/887622606.db2.gz	ZTRJTNZFYAAESO-UHFFFAOYSA-N	1	0	357.462	2.419	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)NC[C@@H]3CCC[C@H]([NH3+])C3)n2)c(F)c1	ZINC000415442250	887662515	/nfs/dbraw/zinc/66/25/15/887662515.db2.gz	FFLFKRUJVXATGB-KGLIPLIRSA-N	1	0	356.405	2.522	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2N(C)C)C[C@H]1OC	ZINC001212255116	887788444	/nfs/dbraw/zinc/78/84/44/887788444.db2.gz	DBLKNZVZEFQPLH-KVSKMBFKSA-N	1	0	359.470	1.106	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2cn(CCOC)nn2)[C@H](OC)C1	ZINC001212255418	887866301	/nfs/dbraw/zinc/86/63/01/887866301.db2.gz	LDWAYWMGVUCJSZ-NVXWUHKLSA-N	1	0	367.494	1.324	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCc3c2cccc3F)C[C@H]1OC	ZINC001212257843	888071551	/nfs/dbraw/zinc/07/15/51/888071551.db2.gz	JKXYGQVRQLNTNG-GUDVDZBRSA-N	1	0	360.429	1.668	20	30		FDEDRO
Cc1cc(NC(=O)C2CC[NH+](Cc3cccnc3)CC2)nn1CCC#N	ZINC000371408079	888142606	/nfs/dbraw/zinc/14/26/06/888142606.db2.gz	FVWLAMLUZLXAQZ-UHFFFAOYSA-N	1	0	352.442	2.351	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1OC	ZINC001212262568	888167558	/nfs/dbraw/zinc/16/75/58/888167558.db2.gz	SGMXZLFEEDCVDS-IAGOWNOFSA-N	1	0	350.484	1.536	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@H+]2CCC[C@@H]2C)c1	ZINC001005970968	888294338	/nfs/dbraw/zinc/29/43/38/888294338.db2.gz	CBOGAGLPEVATGM-PIKADFDJSA-N	1	0	366.465	1.409	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)C1	ZINC000923261381	888619950	/nfs/dbraw/zinc/61/99/50/888619950.db2.gz	IPKRYLIPEPGUKE-KHYOSLBOSA-N	1	0	362.474	1.832	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(NC(=O)C2CC[NH+](C)CC2)CC1	ZINC000946889852	888910396	/nfs/dbraw/zinc/91/03/96/888910396.db2.gz	QOXWEIUAOQALPH-ROUUACIJSA-N	1	0	363.502	1.417	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[NH+]2CCC(c3nnc4n3CCNC4)CC2)cc1	ZINC000923369180	889024417	/nfs/dbraw/zinc/02/44/17/889024417.db2.gz	XMEGDBAHWDLNGQ-QGZVFWFLSA-N	1	0	352.442	1.166	20	30		FDEDRO
Cc1cn(-c2cccnc2)nc1NC(=O)N(CCC#N)CCC[NH+](C)C	ZINC000373285996	889082272	/nfs/dbraw/zinc/08/22/72/889082272.db2.gz	DJUVAMVNBNTYBC-UHFFFAOYSA-N	1	0	355.446	2.275	20	30		FDEDRO
CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1	ZINC001089693212	889104631	/nfs/dbraw/zinc/10/46/31/889104631.db2.gz	IKPWOGJITDDCNL-BBWFWOEESA-N	1	0	363.502	1.252	20	30		FDEDRO
C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@@H]([NH2+]CCO)C1	ZINC000923404399	889150458	/nfs/dbraw/zinc/15/04/58/889150458.db2.gz	JKYVRMRYTHYJAT-JKSUJKDBSA-N	1	0	351.516	1.698	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1nc(C)c[nH]1)C2	ZINC001112543546	889357735	/nfs/dbraw/zinc/35/77/35/889357735.db2.gz	HJAHGUPHLKRGIJ-DOXZYTNZSA-N	1	0	359.474	1.241	20	30		FDEDRO
C[NH+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2Nc2ccncc2C#N)CC1	ZINC001090283458	889384691	/nfs/dbraw/zinc/38/46/91/889384691.db2.gz	BLUZMXNNUAQWPN-QUCCMNQESA-N	1	0	371.485	1.135	20	30		FDEDRO
C[NH+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2Nc2ccc(C#N)cn2)CC1	ZINC001090284444	889491437	/nfs/dbraw/zinc/49/14/37/889491437.db2.gz	YUIZPFNDKODIJA-XLIONFOSSA-N	1	0	371.485	1.713	20	30		FDEDRO
C#Cc1ccc(C(=O)NC2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)nc1	ZINC000946914303	889651026	/nfs/dbraw/zinc/65/10/26/889651026.db2.gz	FVEBZMLMFNMQQO-PKOBYXMFSA-N	1	0	368.481	1.514	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)c3ccc(C#N)[nH]3)CC2)CC[N@@H+]1C	ZINC000946914646	889685343	/nfs/dbraw/zinc/68/53/43/889685343.db2.gz	WLQKFNPEEOVLLG-DOTOQJQBSA-N	1	0	357.458	1.337	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000938984442	889751201	/nfs/dbraw/zinc/75/12/01/889751201.db2.gz	RANIYZLZPMPADE-NSISKUIASA-N	1	0	367.493	1.610	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1	ZINC000938999718	889776883	/nfs/dbraw/zinc/77/68/83/889776883.db2.gz	WLQSENUZKRHKHP-ZACQAIPSSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[C@@H]2CCCCO2)[C@H](OC)C1	ZINC001212291291	889783728	/nfs/dbraw/zinc/78/37/28/889783728.db2.gz	GIMQECVOFLMOOK-ZACQAIPSSA-N	1	0	354.491	1.600	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccccc2OC)C[C@H]1C	ZINC001106912310	889935246	/nfs/dbraw/zinc/93/52/46/889935246.db2.gz	UDBQSINTEZOBTA-OWCLPIDISA-N	1	0	357.454	1.131	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CNC(=O)c2ccoc2C)[C@H](OC)C1	ZINC001212311539	890026298	/nfs/dbraw/zinc/02/62/98/890026298.db2.gz	RJEXKJIJFOTMRV-IAOVAPTHSA-N	1	0	363.458	1.488	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)CCCn2nc(C)cc2C)[C@@H](n2ccnn2)C1	ZINC001129289307	890071629	/nfs/dbraw/zinc/07/16/29/890071629.db2.gz	UKJXQPIOGYROHY-MSOLQXFVSA-N	1	0	371.489	1.489	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(c3nc(C)cc(C#N)n3)C2)CC[N@@H+]1C	ZINC001063055508	890155680	/nfs/dbraw/zinc/15/56/80/890155680.db2.gz	CKXWLGYANBPMTJ-IXDOHACOSA-N	1	0	356.474	1.424	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(NC(=O)CC[N@@H+](C)CC)CCC1	ZINC001063214628	890339023	/nfs/dbraw/zinc/33/90/23/890339023.db2.gz	MXAKGHKHJURLLR-CVEARBPZSA-N	1	0	351.491	1.465	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)CSCC#N)CCC2)CC[N@@H+]1C	ZINC001063226408	890347110	/nfs/dbraw/zinc/34/71/10/890347110.db2.gz	PHDHWJCQGMZVHE-UONOGXRCSA-N	1	0	352.504	1.129	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1	ZINC000939887769	891448003	/nfs/dbraw/zinc/44/80/03/891448003.db2.gz	VFXVWRUASVLBBF-SPUZQDLCSA-N	1	0	363.502	1.273	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CC[NH+]([C@H](C)C(=O)NC)CC1	ZINC001001935377	891691336	/nfs/dbraw/zinc/69/13/36/891691336.db2.gz	YUDOCJIGSXZPNH-PVAVHDDUSA-N	1	0	351.491	1.320	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC2(C)C)C3)CC1	ZINC001002093820	891916782	/nfs/dbraw/zinc/91/67/82/891916782.db2.gz	XCARMWJOCBLICX-XDNAFOTISA-N	1	0	357.498	1.626	20	30		FDEDRO
CC(C)(C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(C#N)c1)C2)[NH+]1CCCC1	ZINC001002130399	891964612	/nfs/dbraw/zinc/96/46/12/891964612.db2.gz	MGRSZGNTAKPGHX-ZACQAIPSSA-N	1	0	369.469	1.622	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)CC2CC[NH+](C)CC2)C1	ZINC001002222778	892259189	/nfs/dbraw/zinc/25/91/89/892259189.db2.gz	FCXACSZSQZOIAQ-MSOLQXFVSA-N	1	0	363.502	1.274	20	30		FDEDRO
CC1([NH2+]Cc2ccc(C#N)cc2F)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1	ZINC000940333305	892282234	/nfs/dbraw/zinc/28/22/34/892282234.db2.gz	PAHJBNJMPDFQCK-CABCVRRESA-N	1	0	358.417	1.289	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)ccc2C)C[C@H]1C	ZINC001106918674	892330504	/nfs/dbraw/zinc/33/05/04/892330504.db2.gz	SXSMGLCKORJQGP-FGTMMUONSA-N	1	0	355.482	1.739	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](NC(=O)COCc2nccn2C)[C@H](OC)C1	ZINC001212446349	892437778	/nfs/dbraw/zinc/43/77/78/892437778.db2.gz	RIQBFDCRXAIBTQ-IAGOWNOFSA-N	1	0	366.506	1.723	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCCN2C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC001002394433	892782248	/nfs/dbraw/zinc/78/22/48/892782248.db2.gz	IDRZUZYFIWSGOC-SOLBZPMBSA-N	1	0	371.485	1.680	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2cc3c(cn2)nc[nH]c3=O)C[C@H]1C	ZINC001106929400	893007447	/nfs/dbraw/zinc/00/74/47/893007447.db2.gz	IQCBCUHLBXEJGR-ZIAGYGMSSA-N	1	0	355.442	1.994	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+][C@@H](CC)C(N)=O)[C@H](C)C2)CCOCC1	ZINC001106933270	893037415	/nfs/dbraw/zinc/03/74/15/893037415.db2.gz	KVXUIVYTRIMNIR-OAGGEKHMSA-N	1	0	351.491	1.307	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CN(C)Cc3ccccc32)CC1	ZINC000672356724	893186036	/nfs/dbraw/zinc/18/60/36/893186036.db2.gz	PUBKIIILEHZLBY-LJQANCHMSA-N	1	0	370.497	1.446	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CN(C)C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC001002554776	893197670	/nfs/dbraw/zinc/19/76/70/893197670.db2.gz	FXUMIZJTPSFRIK-KBRIMQKVSA-N	1	0	357.458	1.290	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000940772175	893197738	/nfs/dbraw/zinc/19/77/38/893197738.db2.gz	QLFDVTINEDQHNP-IXDOHACOSA-N	1	0	358.486	1.735	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(CC)cc2)C[C@H]1C	ZINC001106941759	893260570	/nfs/dbraw/zinc/26/05/70/893260570.db2.gz	BDOGAPLDPFTDSF-GPMSIDNRSA-N	1	0	355.482	1.685	20	30		FDEDRO
C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1)[NH+]1CCCCCC1	ZINC001002591938	893333197	/nfs/dbraw/zinc/33/31/97/893333197.db2.gz	WLYZBXKLBYUKRK-OWYHZJEWSA-N	1	0	357.498	1.912	20	30		FDEDRO
C[NH+](C)C1CCN(CCNC(=O)Nc2nc(Cl)c(C#N)s2)CC1	ZINC000888414720	893420762	/nfs/dbraw/zinc/42/07/62/893420762.db2.gz	YGNYHOBRJLILJD-UHFFFAOYSA-N	1	0	356.883	1.816	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COc2ccc(CC)cc2)C[C@H]1C	ZINC001106944068	893512775	/nfs/dbraw/zinc/51/27/75/893512775.db2.gz	PNTNTBDETFKFHM-SJLPKXTDSA-N	1	0	371.481	1.061	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CC24CCC4)C3)CC1	ZINC001002672428	893541141	/nfs/dbraw/zinc/54/11/41/893541141.db2.gz	MDBQGPYOGYPHDG-MKXGPGLRSA-N	1	0	369.509	1.770	20	30		FDEDRO
CC1(C)C[N@H+](CC#Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1C[C@H]1C(N)=O	ZINC000941034478	893648692	/nfs/dbraw/zinc/64/86/92/893648692.db2.gz	CBGWGLXVQWOQQF-SQNIBIBYSA-N	1	0	353.466	1.376	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc3c(c2)nnn3C)[C@H](OC)C1	ZINC001212463158	893948329	/nfs/dbraw/zinc/94/83/29/893948329.db2.gz	UKUQRGWGRFZZDS-FDQGKXFDSA-N	1	0	357.458	1.752	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCN(C(=O)C2CC[NH+](C)CC2)CC1	ZINC000941200358	894095915	/nfs/dbraw/zinc/09/59/15/894095915.db2.gz	ABBAMUJPHTYNTP-ROUUACIJSA-N	1	0	363.502	1.370	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1	ZINC000941211505	894259489	/nfs/dbraw/zinc/25/94/89/894259489.db2.gz	HISMAQMFVIGRID-FGTMMUONSA-N	1	0	363.502	1.369	20	30		FDEDRO
CS(=O)(=O)N1CC(C[NH2+]Cc2cc(C#N)ccc2Br)C1	ZINC000922020016	894396096	/nfs/dbraw/zinc/39/60/96/894396096.db2.gz	FEIMJUIJPAWHHB-UHFFFAOYSA-N	1	0	358.261	1.302	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)CCc1noc2ccccc12	ZINC000922023252	894424674	/nfs/dbraw/zinc/42/46/74/894424674.db2.gz	BFPPUMLOSJXKQI-UHFFFAOYSA-N	1	0	361.467	1.730	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(F)c(F)cc(F)c1F	ZINC000922021713	894464503	/nfs/dbraw/zinc/46/45/03/894464503.db2.gz	DGGMEUFJJUPOPZ-UHFFFAOYSA-N	1	0	364.364	1.961	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(NC(=O)CC)cc1	ZINC000922025309	894532965	/nfs/dbraw/zinc/53/29/65/894532965.db2.gz	XGHVSBJRPBAWSC-UHFFFAOYSA-N	1	0	363.483	1.753	20	30		FDEDRO
C=C(C)CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3C3CCOCC3)CC2)C1	ZINC000941484171	895097307	/nfs/dbraw/zinc/09/73/07/895097307.db2.gz	PNPUXTVOYIJFAZ-VQTJNVASSA-N	1	0	361.530	1.844	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCc1cn([C@@H]2CC[N@@H+](CC(C)C)C2)nn1	ZINC000999987529	896520455	/nfs/dbraw/zinc/52/04/55/896520455.db2.gz	OZQBPZISKOBINJ-KURKYZTESA-N	1	0	361.490	1.778	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3sccc3C)nn2)C1	ZINC000999992804	896532840	/nfs/dbraw/zinc/53/28/40/896532840.db2.gz	RGJLRPIEFYGOKF-GVDBMIGSSA-N	1	0	369.494	1.948	20	30		FDEDRO
Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1O	ZINC001077851805	896592975	/nfs/dbraw/zinc/59/29/75/896592975.db2.gz	GAQXKODOSOJBQU-JBBXEZCESA-N	1	0	367.453	1.363	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(CNc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1	ZINC000183910415	896780189	/nfs/dbraw/zinc/78/01/89/896780189.db2.gz	ZCRRALQMDDJICX-HNNXBMFYSA-N	1	0	370.457	1.464	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)[C@H]1CCOC1	ZINC000274624988	896866973	/nfs/dbraw/zinc/86/69/73/896866973.db2.gz	UDTOWBKSANCBLD-VDZJLULYSA-N	1	0	374.460	1.549	20	30		FDEDRO
CCc1nc(C#N)cc(NCCN(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)n1	ZINC001106969972	897110301	/nfs/dbraw/zinc/11/03/01/897110301.db2.gz	AZCGFGCJPWLHID-JKSUJKDBSA-N	1	0	358.490	1.901	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)s1	ZINC001084349617	914139320	/nfs/dbraw/zinc/13/93/20/914139320.db2.gz	SUMMUOQOEFSQST-AYOQOUSVSA-N	1	0	370.522	1.994	20	30		FDEDRO
C=CC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@@H]3CCO[C@H]3C=C)C2)n1	ZINC001128117722	897298433	/nfs/dbraw/zinc/29/84/33/897298433.db2.gz	IJACJRKVTRLLNF-KSZLIROESA-N	1	0	356.470	1.643	20	30		FDEDRO
CN1CC[NH+](CCC(C)(C)NC(=O)Cc2cccc(OCC#N)c2)CC1	ZINC000184188971	897316809	/nfs/dbraw/zinc/31/68/09/897316809.db2.gz	HYEYJMJTGZMQRF-UHFFFAOYSA-N	1	0	358.486	1.664	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC2(CCOCC2)C1	ZINC001089959673	897328021	/nfs/dbraw/zinc/32/80/21/897328021.db2.gz	QIFRMFNHSZUOPB-YESZJQIVSA-N	1	0	363.502	1.274	20	30		FDEDRO
C#CCC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)n1	ZINC001128133426	897438440	/nfs/dbraw/zinc/43/84/40/897438440.db2.gz	XYPKSYBAZKJGTE-MANSERQUSA-N	1	0	368.481	1.457	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3cnccc32)C[C@H]1C	ZINC001106984000	897519354	/nfs/dbraw/zinc/51/93/54/897519354.db2.gz	SQEDWMNJJFUHJO-NVXWUHKLSA-N	1	0	366.465	1.835	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC000995272291	897690771	/nfs/dbraw/zinc/69/07/71/897690771.db2.gz	KQQSZCDJYXTSDL-KSZLIROESA-N	1	0	356.470	1.430	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@]45C[C@H]4COC5)[C@@H]3C2)cc1	ZINC001084358721	914183726	/nfs/dbraw/zinc/18/37/26/914183726.db2.gz	SWIINENYQPPPQS-FKPGQJDZSA-N	1	0	367.449	1.658	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000942811919	897829897	/nfs/dbraw/zinc/82/98/97/897829897.db2.gz	UHWIHEGHJNUPIU-SOLBZPMBSA-N	1	0	371.485	1.680	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cncc(N3CCCC3)n1)C2	ZINC001112540992	897996024	/nfs/dbraw/zinc/99/60/24/897996024.db2.gz	ZYNRXIWZTAWIOL-UWJYYQICSA-N	1	0	367.497	1.932	20	30		FDEDRO
C#Cc1cncc(C(=O)N(CC)[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1	ZINC000942961519	898151719	/nfs/dbraw/zinc/15/17/19/898151719.db2.gz	MKGYENYTBKEXGQ-ATZDWAIDSA-N	1	0	368.481	1.466	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1	ZINC000942985507	898245522	/nfs/dbraw/zinc/24/55/22/898245522.db2.gz	JOCSQLKRLCQURE-BBWFWOEESA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(P(C)(C)=O)cc2)C1	ZINC001078216648	898388895	/nfs/dbraw/zinc/38/88/95/898388895.db2.gz	WNDZATKGDHQDDS-IAGOWNOFSA-N	1	0	350.399	1.676	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1	ZINC000943268716	898564589	/nfs/dbraw/zinc/56/45/89/898564589.db2.gz	CVZOOEYCPDEEAI-KURKYZTESA-N	1	0	363.502	1.561	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC2CCOCC2)C1	ZINC001078474098	898808392	/nfs/dbraw/zinc/80/83/92/898808392.db2.gz	TYJOJDPBQNZTAG-KSZLIROESA-N	1	0	352.475	1.211	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccn(C)n2)C1	ZINC001078485659	898842872	/nfs/dbraw/zinc/84/28/72/898842872.db2.gz	CZPCGNXOFSCXSF-BZSNNMDCSA-N	1	0	362.474	1.108	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)c2cccc(F)c2)C[C@H]1C	ZINC001107007347	899409196	/nfs/dbraw/zinc/40/91/96/899409196.db2.gz	VQPARMOAPZTDFL-HLLBOEOZSA-N	1	0	361.461	1.916	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)N2CCOCC2)C[C@H]1C	ZINC001107011730	899532752	/nfs/dbraw/zinc/53/27/52/899532752.db2.gz	PFXDGHBWBWCLDW-XYPHTWIQSA-N	1	0	355.910	1.534	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2ccccc2)C[C@H]1C	ZINC001107011875	899533023	/nfs/dbraw/zinc/53/30/23/899533023.db2.gz	UHFNEFMQWCBFHJ-YQVWRLOYSA-N	1	0	357.498	1.852	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCCNC1=O	ZINC001107016710	899549767	/nfs/dbraw/zinc/54/97/67/899549767.db2.gz	APRFSNNIKVUUNP-QRQLOZEOSA-N	1	0	353.466	1.391	20	30		FDEDRO
CCn1cc(C[NH2+]C[C@@H]2CN(C(=O)CC#Cc3ccccc3)C[C@H]2C)nn1	ZINC001107016950	899552540	/nfs/dbraw/zinc/55/25/40/899552540.db2.gz	IXPSCXCGQILHMR-IEBWSBKVSA-N	1	0	365.481	1.924	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnnn1C	ZINC001107017233	899555204	/nfs/dbraw/zinc/55/52/04/899555204.db2.gz	PXVFMBFWXDCXQV-SJLPKXTDSA-N	1	0	351.454	1.441	20	30		FDEDRO
CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C	ZINC001107017499	899555925	/nfs/dbraw/zinc/55/59/25/899555925.db2.gz	ZVENWUXLKKFZLL-UYAOXDASSA-N	1	0	369.509	1.979	20	30		FDEDRO
C=C[C@@H](CC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1)c1ccccc1	ZINC001107019257	899562545	/nfs/dbraw/zinc/56/25/45/899562545.db2.gz	YXDVXBCIYSZURK-SOLBZPMBSA-N	1	0	368.485	1.754	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)n2c(C)ccc2C)C[C@H]1C	ZINC001107031166	899677383	/nfs/dbraw/zinc/67/73/83/899677383.db2.gz	KYMSXLRIKQMVGA-FHLIZLRMSA-N	1	0	360.502	1.652	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ncccc3C)C[C@H]21	ZINC001084417885	914377376	/nfs/dbraw/zinc/37/73/76/914377376.db2.gz	KIHJTIMNAAYVFN-YZGWKJHDSA-N	1	0	352.482	1.520	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)Cc1[nH]cnc1C	ZINC000944175116	899945950	/nfs/dbraw/zinc/94/59/50/899945950.db2.gz	BCMANGBDPPVNMT-VKJFTORMSA-N	1	0	360.458	1.349	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c(C)nsc2C)C[C@H]1C	ZINC001107047838	900124817	/nfs/dbraw/zinc/12/48/17/900124817.db2.gz	CXMINSPPZSAEBO-BXUZGUMPSA-N	1	0	350.488	1.360	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@]2(C)CCC(C)=C(C)C2)C[C@H]1C	ZINC001107056568	900191213	/nfs/dbraw/zinc/19/12/13/900191213.db2.gz	ZCPJDLQPRJJKJC-OPYAIIAOSA-N	1	0	359.514	1.947	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@]2(C)CCc3ccccc32)C[C@H]1C	ZINC001107058400	900281818	/nfs/dbraw/zinc/28/18/18/900281818.db2.gz	HOSCJPBJOBMOFR-RADWXHQJSA-N	1	0	369.509	1.877	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC[C@@H](C)C2)[C@H](C)C1	ZINC001107058877	900292461	/nfs/dbraw/zinc/29/24/61/900292461.db2.gz	FPBWKFDVOQJVMD-KZNAEPCWSA-N	1	0	365.518	1.522	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCCCOCC)C[C@H]1C	ZINC001107060660	900364155	/nfs/dbraw/zinc/36/41/55/900364155.db2.gz	HEYPOAMQNHEXLE-KZNAEPCWSA-N	1	0	365.518	1.405	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(C)(C)C)[C@H](C)C1	ZINC001107062852	900390077	/nfs/dbraw/zinc/39/00/77/900390077.db2.gz	VYGYLCGMJZDSQX-OWCLPIDISA-N	1	0	353.507	1.566	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc3n2CCCC3)[C@H](C)C1	ZINC001107062966	900392563	/nfs/dbraw/zinc/39/25/63/900392563.db2.gz	XQTSVZYVHXPLCT-OWCLPIDISA-N	1	0	361.490	1.390	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]Cc2nc(C3CC3)nn2C)[C@H](C)C1	ZINC001107063169	900448152	/nfs/dbraw/zinc/44/81/52/900448152.db2.gz	DQAWNTAZOMCCBI-GDBMZVCRSA-N	1	0	361.490	1.469	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nc(CCC)no2)[C@H](C)C1	ZINC001107063736	900450610	/nfs/dbraw/zinc/45/06/10/900450610.db2.gz	YUBWZDGLYYUNHD-QLFBSQMISA-N	1	0	350.463	1.797	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC=C)CC=C)[C@H](C)C1	ZINC001107065195	900455072	/nfs/dbraw/zinc/45/50/72/900455072.db2.gz	JNWCIIICMRUYIV-KZNAEPCWSA-N	1	0	363.502	1.462	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cc(=O)c(OC)co2)[C@H](C)C1	ZINC001107065822	900457819	/nfs/dbraw/zinc/45/78/19/900457819.db2.gz	YWOHKWPDCQMJNM-RBSFLKMASA-N	1	0	364.442	1.424	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCCNC4=O)[C@@H]3C2)c1	ZINC001084427646	914461506	/nfs/dbraw/zinc/46/15/06/914461506.db2.gz	PCWOWOHROFYVAH-KZNAEPCWSA-N	1	0	352.438	1.117	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)CC2CCC(OC)CC2)C[C@H]1C	ZINC001107094821	900831597	/nfs/dbraw/zinc/83/15/97/900831597.db2.gz	QDCVDBNGAGOPEP-TXQGORRRSA-N	1	0	350.503	1.916	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)C[NH+](CC)CC)CC1	ZINC001079084075	901104213	/nfs/dbraw/zinc/10/42/13/901104213.db2.gz	DOOBFJFKHRGUTR-KSZLIROESA-N	1	0	365.518	1.759	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)CC1	ZINC001079084145	901105831	/nfs/dbraw/zinc/10/58/31/901105831.db2.gz	GOHMQHRVSVKIAG-KSZLIROESA-N	1	0	365.518	1.759	20	30		FDEDRO
C#Cc1ccc(C(=O)NCC2(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCC2)nc1	ZINC001063833779	901156081	/nfs/dbraw/zinc/15/60/81/901156081.db2.gz	CTBRICBIDCMUFT-FUHWJXTLSA-N	1	0	368.481	1.562	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(CCC[NH+]2CCN(c3ccccc3)CC2)C1=O	ZINC000348490144	901317052	/nfs/dbraw/zinc/31/70/52/901317052.db2.gz	HEVWOLXCBGEIHS-SFHVURJKSA-N	1	0	372.469	1.322	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ncccc2C#N)CC[N@@H+]1C	ZINC001064544513	901396356	/nfs/dbraw/zinc/39/63/56/901396356.db2.gz	YLRZCSMJQATOIY-NRSFXHEJSA-N	1	0	353.470	1.863	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H]3CCN(C(=O)C[NH+](CC)CC)[C@@H]3C2)n1	ZINC001090315248	901632643	/nfs/dbraw/zinc/63/26/43/901632643.db2.gz	QKFCEHZRLKSUPV-GOEBONIOSA-N	1	0	356.474	1.290	20	30		FDEDRO
N#Cc1nccc(N2C[C@@H]3CCN(C(=O)CCC[NH+]4CCCC4)[C@@H]3C2)n1	ZINC001090317746	901650356	/nfs/dbraw/zinc/65/03/56/901650356.db2.gz	HSPTYFKJQCZNIQ-JKSUJKDBSA-N	1	0	354.458	1.261	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H]3CCN(C(=O)CCC[NH+](C)C)[C@@H]3C2)n1	ZINC001090354565	901814038	/nfs/dbraw/zinc/81/40/38/901814038.db2.gz	VCCFOMNETQTRCH-GOEBONIOSA-N	1	0	356.474	1.290	20	30		FDEDRO
C[NH+]=C(NCc1cccnc1-n1ccnc1C)N[C@H]1CCN(C2CC2)C1	ZINC000083167435	901916595	/nfs/dbraw/zinc/91/65/95/901916595.db2.gz	OLUQKAIIDCECIT-INIZCTEOSA-N	1	0	353.474	1.477	20	30		FDEDRO
N#Cc1cc(C(=O)N(Cc2ccccc2)[C@@H]2C[N@@H+](CCCF)C[C@H]2O)c[nH]1	ZINC001079131236	901940519	/nfs/dbraw/zinc/94/05/19/901940519.db2.gz	IEBOZSNMONPPKQ-RTBURBONSA-N	1	0	370.428	1.933	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+]Cc2cnnn2C)C1	ZINC001079150048	901981922	/nfs/dbraw/zinc/98/19/22/901981922.db2.gz	ZBQCMXCMGPAHPM-JEBQAFNWSA-N	1	0	370.432	1.588	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC(=O)N(C)C2)C1	ZINC001079135617	902001313	/nfs/dbraw/zinc/00/13/13/902001313.db2.gz	CPFKVQKVJBANIR-IPMKNSEASA-N	1	0	371.481	1.115	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]Cc2cnnn2C)C1	ZINC001079174772	902056606	/nfs/dbraw/zinc/05/66/06/902056606.db2.gz	HDIKNHQXKVKZKR-OAUYIBNBSA-N	1	0	356.405	1.198	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1c1cccc(F)c1	ZINC001079180513	902067238	/nfs/dbraw/zinc/06/72/38/902067238.db2.gz	YBIFNRWSKBYCFQ-RBUKOAKNSA-N	1	0	361.461	1.618	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCn2cnnn2)CC[C@H]1c1ccc(F)cc1	ZINC001079160392	902083670	/nfs/dbraw/zinc/08/36/70/902083670.db2.gz	RANKTTCKUSKSTB-DLBZAZTESA-N	1	0	358.421	1.363	20	30		FDEDRO
C=CCCC(=O)N1CC[NH+](CCCCCNC(=O)[C@]23C[C@H]2COC3)CC1	ZINC001079161669	902086446	/nfs/dbraw/zinc/08/64/46/902086446.db2.gz	CCLJQXZMKCJNFA-PXNSSMCTSA-N	1	0	363.502	1.420	20	30		FDEDRO
C#CC[NH+]1CCC(N2C(=O)N[C@@H]3CN(C(=O)[C@@H]4C[C@H]4C4CC4)CC[C@@H]32)CC1	ZINC001079165176	902093013	/nfs/dbraw/zinc/09/30/13/902093013.db2.gz	IEMSFMVJJFREOZ-MANSERQUSA-N	1	0	370.497	1.125	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCC(=O)N2)C[C@H]1c1cccc(F)c1	ZINC001079198782	902097901	/nfs/dbraw/zinc/09/79/01/902097901.db2.gz	RHQBWGOYWGLJQN-OKZBNKHCSA-N	1	0	359.445	1.955	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@H]1c1cccc(F)c1	ZINC001079204983	902109694	/nfs/dbraw/zinc/10/96/94/902109694.db2.gz	WSZDAPZELSGBFE-DOTOQJQBSA-N	1	0	356.401	1.637	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn(CCOC)c2)C[C@H]1c1cccc(F)c1	ZINC001079208026	902114518	/nfs/dbraw/zinc/11/45/18/902114518.db2.gz	FFRLZUCOIDGNMT-RBUKOAKNSA-N	1	0	370.428	1.500	20	30		FDEDRO
CC[C@@H]([NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1cccc(F)c1)C(N)=O	ZINC001079183685	902126676	/nfs/dbraw/zinc/12/66/76/902126676.db2.gz	OIYKIBRAFBRGNI-RCCFBDPRSA-N	1	0	357.429	1.387	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1c1cccc(F)c1	ZINC001079186102	902130633	/nfs/dbraw/zinc/13/06/33/902130633.db2.gz	AIYNKOLNGADQAJ-RYQLBKOJSA-N	1	0	359.445	1.812	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC(N)=O)C1	ZINC001079187766	902134861	/nfs/dbraw/zinc/13/48/61/902134861.db2.gz	XWAJMFWCBIHIHC-DLBZAZTESA-N	1	0	370.428	1.496	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C(=O)Nc2ccccc2)C[C@H]1c1cccc(F)c1	ZINC001079189082	902139968	/nfs/dbraw/zinc/13/99/68/902139968.db2.gz	DOLNOPSAABQANT-RBUKOAKNSA-N	1	0	365.408	1.982	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2cn(CC)nn2)C[C@H]1c1cccc(F)c1	ZINC001079192560	902151194	/nfs/dbraw/zinc/15/11/94/902151194.db2.gz	NYRJSJBWROFSPL-ZWKOTPCHSA-N	1	0	357.433	1.750	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cc[nH]c(=O)c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079233539	902168349	/nfs/dbraw/zinc/16/83/49/902168349.db2.gz	QFEQBMDAKOADSH-DLBZAZTESA-N	1	0	355.438	1.364	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3ccnn3CC)[C@@H]3COC[C@@H]32)CC1	ZINC001079238402	902181960	/nfs/dbraw/zinc/18/19/60/902181960.db2.gz	YQFRCIUXVVYJDP-FUHWJXTLSA-N	1	0	356.470	1.479	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)C3CCC(O)CC3)[C@@H]3COC[C@@H]32)CC1	ZINC001079239495	902186962	/nfs/dbraw/zinc/18/69/62/902186962.db2.gz	WYKOZGIDYHXVMN-WZOJCFFYSA-N	1	0	360.498	1.500	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C(C)=O)C[C@H]1c1cccc(F)c1	ZINC001079212418	902199846	/nfs/dbraw/zinc/19/98/46/902199846.db2.gz	YWKFPAKYEDRDDG-IPMKNSEASA-N	1	0	359.445	1.907	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC2(CC[NH+](CCc3cnn(C)c3)CC2)[C@H]2COC[C@H]21	ZINC001079228549	902243841	/nfs/dbraw/zinc/24/38/41/902243841.db2.gz	PZMKUWBXGHINHQ-RYQLBKOJSA-N	1	0	371.485	1.062	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC2(CC[NH+](Cc3cccnc3)CC2)[C@H]2COC[C@H]21	ZINC001079228685	902245271	/nfs/dbraw/zinc/24/52/71/902245271.db2.gz	VZCJURATKFGSCQ-BPQIPLTHSA-N	1	0	354.454	1.681	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3n[nH]c4c3CCC4)[C@@H]3COC[C@@H]32)CC1	ZINC001079250016	902266931	/nfs/dbraw/zinc/26/69/31/902266931.db2.gz	GZEJCQTZZJFBRM-DOTOQJQBSA-N	1	0	354.454	1.085	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3ccnc(OC)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079251044	902269461	/nfs/dbraw/zinc/26/94/61/902269461.db2.gz	BZWDQOMMJICBNH-GOEBONIOSA-N	1	0	358.442	1.224	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)Cn3nc(C)cc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079251089	902271245	/nfs/dbraw/zinc/27/12/45/902271245.db2.gz	FMIYSVGSACVUBD-ZWKOTPCHSA-N	1	0	358.486	1.625	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3c(C)nn(C)c3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079254402	902279387	/nfs/dbraw/zinc/27/93/87/902279387.db2.gz	BDBJNFATTVLQSL-DLBZAZTESA-N	1	0	356.470	1.223	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@@H](C)c3cncnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079257970	902289572	/nfs/dbraw/zinc/28/95/72/902289572.db2.gz	HBJOLTFSSOVVAO-RYQLBKOJSA-N	1	0	356.470	1.706	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3cn(C)c(=O)[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079258927	902293140	/nfs/dbraw/zinc/29/31/40/902293140.db2.gz	QPZQILIDKQWHNE-GOEBONIOSA-N	1	0	360.458	1.255	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3ccc4nonc4c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079258578	902293405	/nfs/dbraw/zinc/29/34/05/902293405.db2.gz	HIQZYJRZVHSXEK-MAUKXSAKSA-N	1	0	366.421	1.409	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cccc(=O)n3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079260042	902297660	/nfs/dbraw/zinc/29/76/60/902297660.db2.gz	YCJLTAHCUPNUBN-DOTOQJQBSA-N	1	0	357.454	1.124	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)CCc3cc(C)on3)[C@@H]3COC[C@@H]32)CC1	ZINC001079260884	902299290	/nfs/dbraw/zinc/29/92/90/902299290.db2.gz	UPMPJCLXCDPZGE-ZWKOTPCHSA-N	1	0	357.454	1.488	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3cn(CC)nc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079264088	902309325	/nfs/dbraw/zinc/30/93/25/902309325.db2.gz	YUMKIKVLKDZRSU-RBUKOAKNSA-N	1	0	370.497	1.788	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)CCc3cn[nH]c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079265674	902313710	/nfs/dbraw/zinc/31/37/10/902313710.db2.gz	VTMJFWOBBYQRQB-ZWKOTPCHSA-N	1	0	356.470	1.305	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3cn(CC=C)nn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079265734	902313988	/nfs/dbraw/zinc/31/39/88/902313988.db2.gz	YOGSPODNORQLOZ-FUHWJXTLSA-N	1	0	371.485	1.593	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cccc4nc[nH]c43)[C@@H]3COC[C@@H]32)CC1	ZINC001079268216	902321242	/nfs/dbraw/zinc/32/12/42/902321242.db2.gz	TZPSQLLZVUWPEV-FUHWJXTLSA-N	1	0	364.449	1.749	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCc4nc[nH]c4C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079269121	902322591	/nfs/dbraw/zinc/32/25/91/902322591.db2.gz	HKGYDVDSWSYOLO-TXPKVOOTSA-N	1	0	368.481	1.087	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@H]([NH2+]Cc3ccccc3C#N)C(C)(C)C2)C1	ZINC000995824263	902325870	/nfs/dbraw/zinc/32/58/70/902325870.db2.gz	NZPYCGOYHHPJFJ-OLMNPRSZSA-N	1	0	368.481	1.800	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCc4n[nH]nc4C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079270518	902329638	/nfs/dbraw/zinc/32/96/38/902329638.db2.gz	WMJDXIXFPRVCSR-RLFYNMQTSA-N	1	0	371.485	1.035	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3ccc(C#C)cn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079270543	902329751	/nfs/dbraw/zinc/32/97/51/902329751.db2.gz	XLNHZGVZIOSSJR-AZUAARDMSA-N	1	0	363.461	1.639	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1ccccc1F	ZINC001079304012	902344715	/nfs/dbraw/zinc/34/47/15/902344715.db2.gz	MMJKFIDSNVKYCB-XDKCKUNGSA-N	1	0	354.425	1.766	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(=O)c(OC)c[nH]2)C[C@H]1c1ccccc1F	ZINC001079302792	902353103	/nfs/dbraw/zinc/35/31/03/902353103.db2.gz	KBGSYYHGOPYDCF-WMLDXEAASA-N	1	0	371.412	1.906	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CCn2cncn2)C1	ZINC001079286864	902381928	/nfs/dbraw/zinc/38/19/28/902381928.db2.gz	DICULSOKVWHPJG-UKPHBRMFSA-N	1	0	356.405	1.161	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)CCC3)C[C@H]1c1ccccc1F	ZINC001079295578	902399362	/nfs/dbraw/zinc/39/93/62/902399362.db2.gz	MYXOHTRVIDUONB-DOTOQJQBSA-N	1	0	352.413	1.799	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc(C)nc2OC)C[C@H]1c1ccccc1F	ZINC001079297983	902404576	/nfs/dbraw/zinc/40/45/76/902404576.db2.gz	WLKUFJRRSKUYQL-FUHWJXTLSA-N	1	0	368.412	1.764	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CCF)C1	ZINC001079299069	902407329	/nfs/dbraw/zinc/40/73/29/902407329.db2.gz	VKYXKCXGVRMEJR-UHOSZYNNSA-N	1	0	361.436	1.777	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(CC)n2)C[C@H]1c1ccccc1F	ZINC001079316031	902412120	/nfs/dbraw/zinc/41/21/20/902412120.db2.gz	SNHBSQZAXWXUQK-MAUKXSAKSA-N	1	0	368.412	1.233	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccnc(OC)c2)C[C@H]1c1ccccc1F	ZINC001079310992	902446015	/nfs/dbraw/zinc/44/60/15/902446015.db2.gz	OQCOQYHDRSNZAL-PKOBYXMFSA-N	1	0	367.424	1.989	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCCOC2)C3)CC1	ZINC000995891114	902599656	/nfs/dbraw/zinc/59/96/56/902599656.db2.gz	VQHXGCBYQCWTFC-RDGPPVDQSA-N	1	0	373.497	1.006	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C#N)c[nH]1)C2	ZINC000996008223	902887778	/nfs/dbraw/zinc/88/77/78/902887778.db2.gz	MMOPICXXVVOIFY-GUSZCTEKSA-N	1	0	355.442	1.232	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C#N)c[nH]1)C2	ZINC000996008639	902888901	/nfs/dbraw/zinc/88/89/01/902888901.db2.gz	MRXWALAMGJWXRA-DFGXFYAUSA-N	1	0	369.469	1.622	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC(C)C2)C3)CC1	ZINC000996035511	902928824	/nfs/dbraw/zinc/92/88/24/902928824.db2.gz	UWXULPLMZIMGPK-CORWQPHRSA-N	1	0	357.498	1.626	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1CC(N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001079860024	903547756	/nfs/dbraw/zinc/54/77/56/903547756.db2.gz	RPGLLLRIXWNCLW-WRWLIDTKSA-N	1	0	365.518	1.615	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccn(C(C)C)n1)C2	ZINC001112538807	903609830	/nfs/dbraw/zinc/60/98/30/903609830.db2.gz	WSBOKMYWNOGBCJ-JXFKEZNVSA-N	1	0	371.485	1.045	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC001079961140	903769707	/nfs/dbraw/zinc/76/97/07/903769707.db2.gz	DAVFJNGDXNDSLT-SYQHCUMBSA-N	1	0	350.381	1.735	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(C#N)[nH]2)CC1	ZINC000996384855	903821787	/nfs/dbraw/zinc/82/17/87/903821787.db2.gz	AXYGFKUHJLZZMW-NJAFHUGGSA-N	1	0	369.469	1.480	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1CCn2ccnc2C1	ZINC001079991840	903825545	/nfs/dbraw/zinc/82/55/45/903825545.db2.gz	TZQSVYPQWWIIGD-AYOQOUSVSA-N	1	0	363.465	1.954	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]([NH2+]CCc2cnn(C)c2)C(C)(C)C1	ZINC000996401096	903849600	/nfs/dbraw/zinc/84/96/00/903849600.db2.gz	JDNDHSNWMRQGCH-BZSNNMDCSA-N	1	0	360.502	1.770	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(C#N)[nH]1	ZINC000996404139	903862681	/nfs/dbraw/zinc/86/26/81/903862681.db2.gz	UWFQUIUBTOHWRX-UBDQQSCGSA-N	1	0	369.469	1.621	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2cc(OC)no2)C(C)(C)C1	ZINC000996405852	903867285	/nfs/dbraw/zinc/86/72/85/903867285.db2.gz	IYEDVMJPAYZTND-ZOBUZTSGSA-N	1	0	363.458	1.991	20	30		FDEDRO
C=CCn1cccc1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2	ZINC000996548779	904098758	/nfs/dbraw/zinc/09/87/58/904098758.db2.gz	NVERPUKADDFYIB-NCOADZHNSA-N	1	0	356.470	1.488	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[NH+]2CCCC2)C3)cn1	ZINC000996559386	904168928	/nfs/dbraw/zinc/16/89/28/904168928.db2.gz	INQVPYJGGRTSCW-SQNIBIBYSA-N	1	0	352.438	1.020	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)/C=C/c3ccco3)CCC[C@@H]12	ZINC001107262317	904196309	/nfs/dbraw/zinc/19/63/09/904196309.db2.gz	PUKJVIHUGJJZOV-FOSBAXRVSA-N	1	0	356.426	1.293	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN2C(=O)OCC[C@@H]2C1)C(C)C	ZINC000764342494	904411384	/nfs/dbraw/zinc/41/13/84/904411384.db2.gz	ZXJJSWHBMWZJMO-SJORKVTESA-N	1	0	364.490	1.921	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(C)(C)C)CC2	ZINC001107377301	904613694	/nfs/dbraw/zinc/61/36/94/904613694.db2.gz	FOCYXSJGANEYOE-UIAACRFSSA-N	1	0	365.518	1.589	20	30		FDEDRO
CNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2	ZINC001107378656	904620526	/nfs/dbraw/zinc/62/05/26/904620526.db2.gz	FZTHCIGLQXLQOU-WIYYLYMNSA-N	1	0	353.466	1.535	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(C)C(C)C)CC2	ZINC001107378853	904623015	/nfs/dbraw/zinc/62/30/15/904623015.db2.gz	PDYNIGRNNQPQLI-NSISKUIASA-N	1	0	365.518	1.541	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCCCC)CC2	ZINC001107379014	904624329	/nfs/dbraw/zinc/62/43/29/904624329.db2.gz	WNPRJXDVDBPEAW-NSISKUIASA-N	1	0	365.518	1.591	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@H](C)SC)CCC[C@@H]12	ZINC001107369895	904629729	/nfs/dbraw/zinc/62/97/29/904629729.db2.gz	DZCWFMPFJXBECA-HDMKZQKVSA-N	1	0	353.532	1.791	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nccnc1C)CC2	ZINC001107381792	904651807	/nfs/dbraw/zinc/65/18/07/904651807.db2.gz	UAHFIVSNOWGMIS-YZGWKJHDSA-N	1	0	358.486	1.973	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC(C)C)CC2	ZINC001107381885	904652258	/nfs/dbraw/zinc/65/22/58/904652258.db2.gz	VAVIPPDZDWSRJQ-LSTHTHJFSA-N	1	0	365.518	1.447	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnc(C)nc1)CC2	ZINC001107382114	904653727	/nfs/dbraw/zinc/65/37/27/904653727.db2.gz	YYAIUIBIHPCORQ-MISYRCLQSA-N	1	0	358.486	1.973	20	30		FDEDRO
CC(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCNC(=O)NC(C)C)CC2	ZINC001107396510	904711262	/nfs/dbraw/zinc/71/12/62/904711262.db2.gz	CBOAHXNFFPIRHI-YLJYHZDGSA-N	1	0	362.518	1.714	20	30		FDEDRO
COCCOC[C@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)C#CC(C)C)CCC[C@@H]12	ZINC001107397110	904717867	/nfs/dbraw/zinc/71/78/67/904717867.db2.gz	SYHITPFEZNDVBU-QWFCFKBJSA-N	1	0	366.502	1.031	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1	ZINC000764469036	904744937	/nfs/dbraw/zinc/74/49/37/904744937.db2.gz	AHNTZSAXHHHIBA-UHFFFAOYSA-N	1	0	364.877	1.223	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@]3(C)CC=CCC3)CCC[C@@H]12	ZINC001107419326	904799820	/nfs/dbraw/zinc/79/98/20/904799820.db2.gz	RADFHOSHCPYQHX-DUXKGJEZSA-N	1	0	357.498	1.843	20	30		FDEDRO
C=C(C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCN1C(=O)CCC1=O)CC2	ZINC001107424491	904831389	/nfs/dbraw/zinc/83/13/89/904831389.db2.gz	QKMVYMXYCIZRBH-OXQOHEQNSA-N	1	0	361.486	1.853	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC)CC2)OCC	ZINC001107425618	904840000	/nfs/dbraw/zinc/84/00/00/904840000.db2.gz	GJVORXZDXBUIPN-GPMSIDNRSA-N	1	0	351.491	1.465	20	30		FDEDRO
C[NH+](C)[C@H](CC(=O)NCCNC(=O)C1N=CC=CC1=O)c1ccccc1	ZINC000764508037	904853929	/nfs/dbraw/zinc/85/39/29/904853929.db2.gz	NIQUFUOIMYUCQK-RAJOGRCSSA-N	1	0	356.426	1.322	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)N3C(=O)CCC3=O)CCC[C@@H]12	ZINC001107429257	904866514	/nfs/dbraw/zinc/86/65/14/904866514.db2.gz	DRBCPAPULRVTFQ-JXXFODFXSA-N	1	0	361.486	1.851	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3OCC[C@H]3CC)CCC[C@@H]12	ZINC001107443112	904940578	/nfs/dbraw/zinc/94/05/78/904940578.db2.gz	ZKNNOUYULZGAEU-ZTRFORPCSA-N	1	0	363.502	1.465	20	30		FDEDRO
Cc1n[nH]cc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1C	ZINC001080230259	904944973	/nfs/dbraw/zinc/94/49/73/904944973.db2.gz	NQVRPICWBXPTFF-FZKQIMNGSA-N	1	0	353.426	1.871	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3onc(C)c3C)CCC[C@@H]12	ZINC001107445007	904950030	/nfs/dbraw/zinc/95/00/30/904950030.db2.gz	JVRHEDJAINQVOS-DNVCBOLYSA-N	1	0	360.458	1.568	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]2C)cc1	ZINC001080244726	904995516	/nfs/dbraw/zinc/99/55/16/904995516.db2.gz	IYNSUMIPVGUGLJ-HHXXYDBFSA-N	1	0	353.466	1.634	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccncc3CC)CCC[C@@H]12	ZINC001107457631	905025569	/nfs/dbraw/zinc/02/55/69/905025569.db2.gz	GLJBUWSGRBCIID-WIYYLYMNSA-N	1	0	368.481	1.368	20	30		FDEDRO
CCc1c(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC#CCOC)CC3)cnn1C	ZINC001107460966	905060670	/nfs/dbraw/zinc/06/06/70/905060670.db2.gz	OJOUODNNSQLUSC-UYAOXDASSA-N	1	0	358.486	1.607	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCc3c(C)nc[nH]c3=O)CCC[C@@H]12	ZINC001107464233	905071876	/nfs/dbraw/zinc/07/18/76/905071876.db2.gz	OVGSPETUZNNKCU-YLJYHZDGSA-N	1	0	356.470	1.807	20	30		FDEDRO
CC(C)N1C(=O)CC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C	ZINC001080320470	905206816	/nfs/dbraw/zinc/20/68/16/905206816.db2.gz	ADSCZAJDQMIYSE-LZQZEXGQSA-N	1	0	368.481	1.894	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(=O)NC)CC2	ZINC001107499182	905231934	/nfs/dbraw/zinc/23/19/34/905231934.db2.gz	CYODOQUXYXFDFV-AUUYWEPGSA-N	1	0	364.490	1.405	20	30		FDEDRO
CCc1ccccc1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107522714	905303784	/nfs/dbraw/zinc/30/37/84/905303784.db2.gz	PPUWXSGBRIXIPI-WIYYLYMNSA-N	1	0	368.481	1.863	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCNS(C)(=O)=O)CC2	ZINC001107515022	905311440	/nfs/dbraw/zinc/31/14/40/905311440.db2.gz	HPNHHWMOQQCPCR-LZLYRXPVSA-N	1	0	371.547	1.499	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](OC)C(C)C)CCC[C@@H]12	ZINC001107532428	905399611	/nfs/dbraw/zinc/39/96/11/905399611.db2.gz	USDSIFBKLCPPSU-SZVBFZGTSA-N	1	0	351.491	1.320	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C(N)=O)co3)CCC[C@@H]12	ZINC001107543965	905477433	/nfs/dbraw/zinc/47/74/33/905477433.db2.gz	GLAXRMFBFFVGDX-VQIMIIECSA-N	1	0	359.426	1.003	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cccn3)nc2)[C@H](OC)C1	ZINC001082005975	905531567	/nfs/dbraw/zinc/53/15/67/905531567.db2.gz	XZOADYCOUSWHPQ-IAGOWNOFSA-N	1	0	355.442	1.663	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@H]2OC)cc1	ZINC001082012621	905554515	/nfs/dbraw/zinc/55/45/15/905554515.db2.gz	AVDLZZFSSCXKDS-RTBURBONSA-N	1	0	352.438	1.073	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@H]2OC)cc1	ZINC001082012853	905555501	/nfs/dbraw/zinc/55/55/01/905555501.db2.gz	MVNRPRPGFIXEGO-NJDAHSKKSA-N	1	0	364.445	1.831	20	30		FDEDRO
CCc1nc(C#N)cc(NC/C=C\CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)n1	ZINC001107553654	905564868	/nfs/dbraw/zinc/56/48/68/905564868.db2.gz	VWEDUWAPOILFRO-SHUKXNKTSA-N	1	0	356.474	1.725	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C3(S(C)(=O)=O)CCCC3)CCC[C@@H]12	ZINC001107574207	905722496	/nfs/dbraw/zinc/72/24/96/905722496.db2.gz	SWORRBGUKJPHSI-SJLPKXTDSA-N	1	0	366.527	1.728	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(COC)c3)C[C@H]2C)nn1	ZINC001080578951	905733874	/nfs/dbraw/zinc/73/38/74/905733874.db2.gz	IADGSWUALCSLMM-CRAIPNDOSA-N	1	0	369.469	1.861	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@H]2C)nn1	ZINC001080589833	905757938	/nfs/dbraw/zinc/75/79/38/905757938.db2.gz	NWJGMXPOSRFASU-UKRRQHHQSA-N	1	0	360.487	1.604	20	30		FDEDRO
C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1	ZINC000996830213	905834316	/nfs/dbraw/zinc/83/43/16/905834316.db2.gz	NKYKKLJGVRFMJR-MSOLQXFVSA-N	1	0	351.491	1.023	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cccc(-n3cccn3)n2)[C@H](OC)C1	ZINC001082119758	905838582	/nfs/dbraw/zinc/83/85/82/905838582.db2.gz	WZZZPQIHNWEZNL-IAGOWNOFSA-N	1	0	355.442	1.663	20	30		FDEDRO
N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC34CCCC4)CCC[C@@H]12	ZINC001107596381	905853500	/nfs/dbraw/zinc/85/35/00/905853500.db2.gz	CPVMLQNXJLASEL-JXXFODFXSA-N	1	0	358.486	1.567	20	30		FDEDRO
CC1(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)CC(F)(F)C1	ZINC001107607143	905922609	/nfs/dbraw/zinc/92/26/09/905922609.db2.gz	PKGRALZCQBWORJ-CXAGYDPISA-N	1	0	368.428	1.422	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)COCc3nc(CC)no3)CCC[C@@H]12	ZINC001107604176	905944960	/nfs/dbraw/zinc/94/49/60/905944960.db2.gz	JNXHIGYUEMWMLT-DNVCBOLYSA-N	1	0	360.458	1.533	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC(=O)N3C)CCC[C@@H]12	ZINC001107622830	906025262	/nfs/dbraw/zinc/02/52/62/906025262.db2.gz	BCTUAIUDFBQNFZ-SQGPQFPESA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CN(C(C)=O)CCO3)CCC[C@@H]12	ZINC001107622921	906027359	/nfs/dbraw/zinc/02/73/59/906027359.db2.gz	HJUSZQQSUVRVLV-NLWGTHIKSA-N	1	0	363.502	1.561	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3ccc4c(c3)OCCO4)CCC[C@@H]12	ZINC001107625583	906040606	/nfs/dbraw/zinc/04/06/06/906040606.db2.gz	CCNIGMJNXAEJBE-TZIWHRDSSA-N	1	0	354.450	1.994	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)C(C)(F)F)CCC[C@@H]12	ZINC001107620796	906059007	/nfs/dbraw/zinc/05/90/07/906059007.db2.gz	ZENSQMVTRQKQMM-AUUYWEPGSA-N	1	0	369.456	1.778	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2(N3CCOCC3)CCCC2)[C@H](OC)C1	ZINC001082191982	906138147	/nfs/dbraw/zinc/13/81/47/906138147.db2.gz	ORHNXDJPSYMTSN-QZTJIDSGSA-N	1	0	365.518	1.413	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOC)CC2	ZINC001107644645	906167618	/nfs/dbraw/zinc/16/76/18/906167618.db2.gz	CZZUCEGFNVJLAA-DNVCBOLYSA-N	1	0	366.506	1.257	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N3CCOCC3)CCC[C@@H]12	ZINC001107640129	906195351	/nfs/dbraw/zinc/19/53/51/906195351.db2.gz	MFUQPPLCVQWILU-SFHLNBCPSA-N	1	0	359.514	1.481	20	30		FDEDRO
COC[C@@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)CC#Cc3ccccc3)CCC[C@@H]12	ZINC001107640753	906199804	/nfs/dbraw/zinc/19/98/04/906199804.db2.gz	IHMQTRHIXUJIOA-TUNNFDKTSA-N	1	0	370.493	1.796	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2C(F)(F)F)[C@H](OC)C1	ZINC001082180963	906200250	/nfs/dbraw/zinc/20/02/50/906200250.db2.gz	NEKNUJJAQJQHJL-CHWSQXEVSA-N	1	0	360.380	1.834	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1	ZINC001082202436	906242812	/nfs/dbraw/zinc/24/28/12/906242812.db2.gz	YGZMQTSSGCILFT-WOJBJXKFSA-N	1	0	370.497	1.606	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3c(C)cccc3F)CCC[C@@H]12	ZINC001107654257	906248965	/nfs/dbraw/zinc/24/89/65/906248965.db2.gz	OSNKINHHTHJUNP-DYESRHJHSA-N	1	0	371.456	1.858	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)CCNC(=O)[C@@H]3CCCO3)CCC[C@@H]12	ZINC001107654777	906252108	/nfs/dbraw/zinc/25/21/08/906252108.db2.gz	IOCPJWBUVMZMCW-SQGPQFPESA-N	1	0	363.502	1.609	20	30		FDEDRO
CCOCCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC#CCOC)CC2	ZINC001107647617	906273095	/nfs/dbraw/zinc/27/30/95/906273095.db2.gz	RPDSDVNJEHUXJT-IEBWSBKVSA-N	1	0	352.475	1.050	20	30		FDEDRO
CNC(=O)CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC#CCOC)CC2	ZINC001107649324	906283198	/nfs/dbraw/zinc/28/31/98/906283198.db2.gz	SCRASWGNNOQRGL-YLJYHZDGSA-N	1	0	363.502	1.303	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1C	ZINC001080851386	906446693	/nfs/dbraw/zinc/44/66/93/906446693.db2.gz	GVYGPHGHHPOXND-ATZDWAIDSA-N	1	0	363.465	1.426	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1	ZINC001082271915	906464562	/nfs/dbraw/zinc/46/45/62/906464562.db2.gz	ZXGWCWQZSZFVLG-WOJBJXKFSA-N	1	0	370.497	1.606	20	30		FDEDRO
C=C1CC(C)(C(=O)N2CCC(CO)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1	ZINC001080877685	906565263	/nfs/dbraw/zinc/56/52/63/906565263.db2.gz	IQYMCFDIFAGYAJ-HZPDHXFCSA-N	1	0	363.502	1.153	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCN(c2cccc(CNC(=O)C[C@@H]3C[C@H]3C3CC3)n2)C1	ZINC001127839131	906585888	/nfs/dbraw/zinc/58/58/88/906585888.db2.gz	MGLDEYCGHQCHDA-UHOSZYNNSA-N	1	0	352.482	1.936	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCN(c2cccc(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)n2)C1	ZINC001127852879	906912172	/nfs/dbraw/zinc/91/21/72/906912172.db2.gz	ZOAJAPJEBNHWDW-MKXGPGLRSA-N	1	0	368.481	1.457	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccnc(N(C)C)c2)CC1	ZINC000997011001	906923355	/nfs/dbraw/zinc/92/33/55/906923355.db2.gz	FWHDRHKIVZELLA-MSOLQXFVSA-N	1	0	358.486	1.819	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)c2nnnn2C2CC2)CC1	ZINC000997012090	906927524	/nfs/dbraw/zinc/92/75/24/906927524.db2.gz	OZCRYADJMLSMHU-MAZHCROVSA-N	1	0	360.462	1.241	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN([C@@H](C)c3cnc(C)cn3)C[C@H]2C)CC1	ZINC001080998157	906975948	/nfs/dbraw/zinc/97/59/48/906975948.db2.gz	VHBKWZQXCCKTEE-OXFYSEKESA-N	1	0	369.513	1.628	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C[C@H]1c1ccccc1	ZINC001081124770	907185034	/nfs/dbraw/zinc/18/50/34/907185034.db2.gz	VTJGEHSRARODKC-HSALFYBXSA-N	1	0	367.493	1.708	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2cnn3c2CCCC3)C[C@H]1c1ccccc1	ZINC001081128021	907225080	/nfs/dbraw/zinc/22/50/80/907225080.db2.gz	BPOGVVTURRMCLO-VQTJNVASSA-N	1	0	362.477	1.979	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2COCCN2CC)C[C@H]1c1ccccc1	ZINC001081137770	907242742	/nfs/dbraw/zinc/24/27/42/907242742.db2.gz	ORQNAKMWBMRXBG-ZCNNSNEGSA-N	1	0	357.498	1.867	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1c1ccccc1	ZINC001081140780	907249701	/nfs/dbraw/zinc/24/97/01/907249701.db2.gz	AUUKCPPKMQUHPO-OKZBNKHCSA-N	1	0	362.495	1.581	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COc2c(C)occc2=O)C[C@H]1c1ccccc1	ZINC001081143196	907253604	/nfs/dbraw/zinc/25/36/04/907253604.db2.gz	QXPIFINVMSQWCZ-ZWKOTPCHSA-N	1	0	366.417	1.544	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2-n2cnnn2)[C@H](OC)C1	ZINC001082365094	907260093	/nfs/dbraw/zinc/26/00/93/907260093.db2.gz	IKVYMIZRRLOTEM-NVXWUHKLSA-N	1	0	356.430	1.058	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCN(C(C)=O)C2)C[C@H]1c1ccccc1	ZINC001081211499	907319211	/nfs/dbraw/zinc/31/92/11/907319211.db2.gz	ZKDIYKXMPVLGCA-ZVDOUQERSA-N	1	0	353.466	1.462	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)C[C@H]1c1ccccc1	ZINC001081219593	907329677	/nfs/dbraw/zinc/32/96/77/907329677.db2.gz	JUWLWMJEALTYBC-ZWKOTPCHSA-N	1	0	369.469	1.051	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)C2CCN(C(=O)CCC)CC2)[C@H](OC)C1	ZINC001082381226	907349179	/nfs/dbraw/zinc/34/91/79/907349179.db2.gz	BMIBVUMVLPDINE-QZTJIDSGSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1c1ccccc1	ZINC001081179660	907351527	/nfs/dbraw/zinc/35/15/27/907351527.db2.gz	CTXUAFSTOAZNLX-MAUKXSAKSA-N	1	0	352.438	1.888	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCC)C2)C[C@H]1c1ccccc1	ZINC001081188629	907364713	/nfs/dbraw/zinc/36/47/13/907364713.db2.gz	CLQRFAIJQVTRAA-CEXWTWQISA-N	1	0	353.466	1.462	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]C[C@H](C)O)C2)nn1	ZINC001081193371	907371640	/nfs/dbraw/zinc/37/16/40/907371640.db2.gz	WLOQCCDCVRJQHN-BHYGNILZSA-N	1	0	355.442	1.043	20	30		FDEDRO
CO[C@@H]1CN(Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C	ZINC001081435511	907571774	/nfs/dbraw/zinc/57/17/74/907571774.db2.gz	VPJZWJFXOVRIHT-FGTMMUONSA-N	1	0	360.433	1.107	20	30		FDEDRO
C[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082418461	907581056	/nfs/dbraw/zinc/58/10/56/907581056.db2.gz	GWICPEZNODTZOK-CRAIPNDOSA-N	1	0	370.453	1.148	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082413732	907633987	/nfs/dbraw/zinc/63/39/87/907633987.db2.gz	LBIXMSMDGIVING-BDJLRTHQSA-N	1	0	355.373	1.443	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)C3=COCCO3)C[C@H]2C)cc1C#N	ZINC001082414949	907640616	/nfs/dbraw/zinc/64/06/16/907640616.db2.gz	NCKUMJJIDLEPHM-CZUORRHYSA-N	1	0	357.410	1.392	20	30		FDEDRO
Cc1csc2nc(C[NH2+][C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C)cc(=O)n12	ZINC001082450871	907729953	/nfs/dbraw/zinc/72/99/53/907729953.db2.gz	KCZQZAFUSVFOTO-MISXGVKJSA-N	1	0	359.455	1.161	20	30		FDEDRO
Cc1c(-c2cc(C[NH2+][C@@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C)on2)cnn1C	ZINC001082450852	907730661	/nfs/dbraw/zinc/73/06/61/907730661.db2.gz	JNEJYFZMYNQPCA-PSTGCABASA-N	1	0	356.430	1.480	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001082442556	907783168	/nfs/dbraw/zinc/78/31/68/907783168.db2.gz	FDDOPUKSDSKMAA-FZKQIMNGSA-N	1	0	355.417	1.610	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1[NH2+]C[C@@H]1COc2ccccc2O1	ZINC001082483837	907907692	/nfs/dbraw/zinc/90/76/92/907907692.db2.gz	NMORCVKXQCMQOE-KBRIMQKVSA-N	1	0	366.421	1.776	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082472471	907921966	/nfs/dbraw/zinc/92/19/66/907921966.db2.gz	MRGYRWPNCREEDD-HACGYAERSA-N	1	0	358.417	1.160	20	30		FDEDRO
CC[C@H]1CCCCN1C(=O)C[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC001082480388	907950034	/nfs/dbraw/zinc/95/00/34/907950034.db2.gz	HPHMYBHVKQWHQZ-UWWQBHOKSA-N	1	0	371.485	1.728	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2ncccc2O)C[C@H]1C	ZINC001082485367	907974127	/nfs/dbraw/zinc/97/41/27/907974127.db2.gz	SMEXLPSBMBMUDW-CZUORRHYSA-N	1	0	366.421	1.918	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnc(N(C)C)cn2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082511493	908043189	/nfs/dbraw/zinc/04/31/89/908043189.db2.gz	XLHZQQAAPXXSKJ-MLGOLLRUSA-N	1	0	370.482	1.726	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]CC(=O)N1CCc2ccccc2C1	ZINC001082502733	908099378	/nfs/dbraw/zinc/09/93/78/908099378.db2.gz	GXDWCTMCNBZHKE-OXQOHEQNSA-N	1	0	365.477	1.421	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]CCN1C(=O)c2ccccc2C1=O	ZINC001082504789	908115538	/nfs/dbraw/zinc/11/55/38/908115538.db2.gz	HJVVQWKVLPKTHG-RDTXWAMCSA-N	1	0	365.433	1.133	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]CC(=O)N1CCc2sccc2C1	ZINC001082504817	908116072	/nfs/dbraw/zinc/11/60/72/908116072.db2.gz	JRXYCPBWKITCSW-RHSMWYFYSA-N	1	0	371.506	1.483	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]Cc1cccc(S(C)(=O)=O)c1	ZINC001082504932	908118080	/nfs/dbraw/zinc/11/80/80/908118080.db2.gz	VOQGAVORUPDEGD-RDTXWAMCSA-N	1	0	360.479	1.440	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2nc(C)cc2C)C1	ZINC001082519576	908209694	/nfs/dbraw/zinc/20/96/94/908209694.db2.gz	VAMBJCZOIYUNBD-AXUOBQJMSA-N	1	0	360.502	1.918	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCc4ccccc43)C[C@H]2O)nn1	ZINC001077801167	908298465	/nfs/dbraw/zinc/29/84/65/908298465.db2.gz	FVDXBTUNGNQMRA-BHIYHBOVSA-N	1	0	367.453	1.317	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CC3CCC4(CC4)CC3)C[C@H]2O)nn1	ZINC001077801637	908308130	/nfs/dbraw/zinc/30/81/30/908308130.db2.gz	ZPDCTIQEZCQVSA-NVXWUHKLSA-N	1	0	359.474	1.209	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2ccoc2)CC1	ZINC000997358054	908315255	/nfs/dbraw/zinc/31/52/55/908315255.db2.gz	VAFPAMZNZPHCNS-QYZOEREBSA-N	1	0	369.465	1.415	20	30		FDEDRO
CCn1nnc(C)c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001082555029	908551026	/nfs/dbraw/zinc/55/10/26/908551026.db2.gz	PEWPKKJLVUTWPO-CXAGYDPISA-N	1	0	352.442	1.728	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cn4c(n3)CCCC4)C[C@H]2C)C1=O	ZINC001082541264	908564425	/nfs/dbraw/zinc/56/44/25/908564425.db2.gz	RGJYEIPLNFRASB-BZUAXINKSA-N	1	0	371.485	1.056	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCN(C(=O)C2CC2)C[C@H]1CC)C1CC[NH+](C)CC1	ZINC000921613862	908581095	/nfs/dbraw/zinc/58/10/95/908581095.db2.gz	JHAJFJAOIWWNIA-VQIMIIECSA-N	1	0	374.529	1.763	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2cc(C3CC3)nn2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082558057	908598828	/nfs/dbraw/zinc/59/88/28/908598828.db2.gz	XTOFUCUOBFUVBK-RDTXWAMCSA-N	1	0	364.453	1.664	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccnc(OC)n2)C1	ZINC001082561651	908630465	/nfs/dbraw/zinc/63/04/65/908630465.db2.gz	HVYIHEVAIACEOR-GDBMZVCRSA-N	1	0	355.442	1.723	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@]2(CC)CCNC2=O)C[C@H]1C	ZINC001082571030	908734023	/nfs/dbraw/zinc/73/40/23/908734023.db2.gz	MNUQMDFKSZHNJL-IXPVHAAZSA-N	1	0	358.280	1.248	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)OCCOC)C2	ZINC001112539555	908761219	/nfs/dbraw/zinc/76/12/19/908761219.db2.gz	GXMGPXNOAYWZGA-LNLFQRSKSA-N	1	0	354.491	1.459	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082599801	908959528	/nfs/dbraw/zinc/95/95/28/908959528.db2.gz	LCTLAJMVQIDDRK-MLGOLLRUSA-N	1	0	356.451	1.569	20	30		FDEDRO
COCc1nn(C)cc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001082602275	908974058	/nfs/dbraw/zinc/97/40/58/908974058.db2.gz	VFMIPSLJQFARGW-RDTXWAMCSA-N	1	0	367.453	1.688	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1cc(C#N)ccc1F	ZINC000888356063	909017274	/nfs/dbraw/zinc/01/72/74/909017274.db2.gz	DABWBTPDJMDZTD-INIZCTEOSA-N	1	0	361.421	1.762	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCOCCCC)C[C@H]1OC)OCC	ZINC001212354781	909071102	/nfs/dbraw/zinc/07/11/02/909071102.db2.gz	JJHRZJZSSRCSHB-KZNAEPCWSA-N	1	0	356.507	1.990	20	30		FDEDRO
C=CCn1c(Cc2ccccn2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000282163116	909174148	/nfs/dbraw/zinc/17/41/48/909174148.db2.gz	DARLGIBMINSHQK-QGZVFWFLSA-N	1	0	368.485	1.608	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2C)C[C@H]1C	ZINC001082675407	909532065	/nfs/dbraw/zinc/53/20/65/909532065.db2.gz	ZYUCTTANLBUVOO-SJKOYZFVSA-N	1	0	353.426	1.849	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cnn3cccnc23)C[C@H]1C	ZINC001082678390	909561361	/nfs/dbraw/zinc/56/13/61/909561361.db2.gz	SGZQTWSFPBCSQW-ZWNOBZJWSA-N	1	0	364.247	1.688	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2C)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082680731	909590053	/nfs/dbraw/zinc/59/00/53/909590053.db2.gz	XADRIMWVXCPZOQ-ZTFGCOKTSA-N	1	0	354.454	1.506	20	30		FDEDRO
C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC000997748242	909599664	/nfs/dbraw/zinc/59/96/64/909599664.db2.gz	ICDSKDZNEPVWOP-JQHSSLGASA-N	1	0	365.518	1.805	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)C3(C(F)F)CCC3)C[C@H]2C)C1=O	ZINC001082702378	909622401	/nfs/dbraw/zinc/62/24/01/909622401.db2.gz	COAAMQZMFVNEMI-HZSPNIEDSA-N	1	0	355.429	1.645	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC001082746701	909685961	/nfs/dbraw/zinc/68/59/61/909685961.db2.gz	WPSLXWCXMBKKBA-NFFDBFGFSA-N	1	0	360.483	1.458	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001082725232	909843721	/nfs/dbraw/zinc/84/37/21/909843721.db2.gz	RXZYTJSIJYXBKB-FXHACXQTSA-N	1	0	358.417	1.303	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCCCC3)C2)c1	ZINC001082730073	909863004	/nfs/dbraw/zinc/86/30/04/909863004.db2.gz	YFVMNSZDGAJWBD-CRAIPNDOSA-N	1	0	354.454	1.126	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(=O)c(OC)co3)C2)c1	ZINC001082730095	909863466	/nfs/dbraw/zinc/86/34/66/909863466.db2.gz	ZTIZEDQYWMHXNE-CXAGYDPISA-N	1	0	367.405	1.275	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3csnc3OC)C2)c1	ZINC001082730326	909865295	/nfs/dbraw/zinc/86/52/95/909865295.db2.gz	OEVSYEDYQVNZMH-MLGOLLRUSA-N	1	0	356.451	1.778	20	30		FDEDRO
C#CCC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@H]1OCC[C@H]1CC)CC2	ZINC001128005872	909894681	/nfs/dbraw/zinc/89/46/81/909894681.db2.gz	MRAYJPILGZHRPY-VKJFTORMSA-N	1	0	359.474	1.027	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C(N)=O)c2)C1	ZINC001082751861	909998540	/nfs/dbraw/zinc/99/85/40/909998540.db2.gz	CRCBGRIRIUXDEZ-PILAGYSTSA-N	1	0	357.454	1.313	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OC)nc3)C2)nn1	ZINC001082796004	910181827	/nfs/dbraw/zinc/18/18/27/910181827.db2.gz	OLEKGXLYOYUYKR-GDBMZVCRSA-N	1	0	370.457	1.508	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3c(C)noc3C)C2)nn1	ZINC001082796099	910184360	/nfs/dbraw/zinc/18/43/60/910184360.db2.gz	SCNCAKSFVJGUAZ-MLGOLLRUSA-N	1	0	358.446	1.709	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@]3(C)CCOC3)C[C@H]2C)cc1C#N	ZINC001082824525	910330282	/nfs/dbraw/zinc/33/02/82/910330282.db2.gz	ALFXYQQHOMFHKE-WIBUTAKZSA-N	1	0	357.454	1.930	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nnc(C)s2)CC1	ZINC000998095933	910337472	/nfs/dbraw/zinc/33/74/72/910337472.db2.gz	XQYRTCUQMAFDSX-CABCVRRESA-N	1	0	350.488	1.766	20	30		FDEDRO
CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(C#N)ccc3F)C2)nn1	ZINC001082828432	910345954	/nfs/dbraw/zinc/34/59/54/910345954.db2.gz	IWXUINBDYZQUFI-CXAGYDPISA-N	1	0	370.432	1.949	20	30		FDEDRO
COc1ncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)cn1	ZINC001082837910	910370994	/nfs/dbraw/zinc/37/09/94/910370994.db2.gz	LGYVLHXLUGFGQR-CXAGYDPISA-N	1	0	351.410	1.607	20	30		FDEDRO
COc1ncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)cn1	ZINC001082838253	910373490	/nfs/dbraw/zinc/37/34/90/910373490.db2.gz	FXHMDQVYNGFPRC-CXAGYDPISA-N	1	0	351.410	1.607	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccc4nccn4c3)C[C@H]2C)C1=O	ZINC001082854229	910479472	/nfs/dbraw/zinc/47/94/72/910479472.db2.gz	SSNZZXNMISLTDZ-DJIMGWMZSA-N	1	0	367.453	1.171	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCCC[C@H]3C)C2)cn1	ZINC001082870220	910517845	/nfs/dbraw/zinc/51/78/45/910517845.db2.gz	IHVLZCXTMKKAMU-GPMSIDNRSA-N	1	0	368.481	1.514	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(N(C)C)nn2)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082866409	910547457	/nfs/dbraw/zinc/54/74/57/910547457.db2.gz	IHBVRBNYPXJRJF-RDTXWAMCSA-N	1	0	364.453	1.665	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nccn2C)C1	ZINC001082868519	910563453	/nfs/dbraw/zinc/56/34/53/910563453.db2.gz	FJCSWTYLXCPOIO-GDBMZVCRSA-N	1	0	353.426	1.077	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccnc2)C1	ZINC001082868542	910563546	/nfs/dbraw/zinc/56/35/46/910563546.db2.gz	GTRMPGXCBYAJCQ-CRAIPNDOSA-N	1	0	350.422	1.739	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3c(C)noc3CC)C[C@H]2C)C1=O	ZINC001082913135	910865213	/nfs/dbraw/zinc/86/52/13/910865213.db2.gz	UEDZWMREGKEVSO-VHDGCEQUSA-N	1	0	360.458	1.382	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)CCc3ccc(C)o3)C[C@H]2C)C1=O	ZINC001082941001	911015205	/nfs/dbraw/zinc/01/52/05/911015205.db2.gz	IIWHPTOWPIHLBX-FHLIZLRMSA-N	1	0	359.470	1.744	20	30		FDEDRO
C=C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1)c1ccccc1	ZINC001082937329	911021352	/nfs/dbraw/zinc/02/13/52/911021352.db2.gz	SCTXWGBSZLXMEO-KBAYOESNSA-N	1	0	356.470	1.418	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)C4CCCCC4)[C@H]3C2)C1=O	ZINC001082984964	911323737	/nfs/dbraw/zinc/32/37/37/911323737.db2.gz	DLPOGKLZBATURL-OKZBNKHCSA-N	1	0	361.486	1.265	20	30		FDEDRO
C#Cc1cncc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C3)c1	ZINC000998629054	911343054	/nfs/dbraw/zinc/34/30/54/911343054.db2.gz	DLYNZZBPFLIQEZ-YSHGAJCASA-N	1	0	366.465	1.266	20	30		FDEDRO
C=CCC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@@H]1CCO[C@H]1C=C)CC2	ZINC001128038818	911599495	/nfs/dbraw/zinc/59/94/95/911599495.db2.gz	BILQPKFKGCRRAQ-XHSDSOJGSA-N	1	0	359.474	1.356	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2CCO[C@@H]3C[N@@H+](C[C@@H]4CCC(F)(F)C4)C[C@@H]32)c1	ZINC001083040713	911762812	/nfs/dbraw/zinc/76/28/12/911762812.db2.gz	ZKILGEUAHXUBAK-UHOFOFEASA-N	1	0	364.396	1.847	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccccc2-c2cnn(C)c2)CC1	ZINC000921676072	911800434	/nfs/dbraw/zinc/80/04/34/911800434.db2.gz	VOAUGXYUIBWBSA-UHFFFAOYSA-N	1	0	351.454	1.984	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(C)nc2)C1=O	ZINC001085135480	921693162	/nfs/dbraw/zinc/69/31/62/921693162.db2.gz	PBKGEJDBIYKNNC-KURKYZTESA-N	1	0	356.470	1.808	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](C(C)C)[NH+](C)C)nc1	ZINC000998948341	911896165	/nfs/dbraw/zinc/89/61/65/911896165.db2.gz	LSMANRFVLUSLLA-XGXHKWSGSA-N	1	0	368.481	1.511	20	30		FDEDRO
C#CCNC(=O)COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1	ZINC000733531544	921710460	/nfs/dbraw/zinc/71/04/60/921710460.db2.gz	PYWSPLPTFIVEMO-QGZVFWFLSA-N	1	0	368.355	1.734	20	30		FDEDRO
C[N@H+](CC(=O)N1CCO[C@@H]2CN(Cc3cccc(C#N)c3)C[C@@H]21)C1CCC1	ZINC001083106149	912045605	/nfs/dbraw/zinc/04/56/05/912045605.db2.gz	NISPRYVAHADUSR-VQTJNVASSA-N	1	0	368.481	1.454	20	30		FDEDRO
Cc1c(C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)cnn1CCC#N	ZINC000888379264	912102230	/nfs/dbraw/zinc/10/22/30/912102230.db2.gz	PFUWZCFIRIMJGU-UHFFFAOYSA-N	1	0	353.430	1.504	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3Cc4cc(Cl)ccc4O3)[C@H]2C1	ZINC001083135499	912174724	/nfs/dbraw/zinc/17/47/24/912174724.db2.gz	HFDRFWXJKZSMMI-RYQLBKOJSA-N	1	0	360.841	1.578	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc3n(n2)CCC3)C1	ZINC000999183762	912192639	/nfs/dbraw/zinc/19/26/39/912192639.db2.gz	XFNVZCAADPVQTA-IPELMVKDSA-N	1	0	358.486	1.891	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CCCNC4=O)[C@@H]3C2)c1	ZINC001084482043	914918353	/nfs/dbraw/zinc/91/83/53/914918353.db2.gz	BFRXAVFNBKYFEU-QZTJIDSGSA-N	1	0	367.453	1.006	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCC(=O)NC4)[C@@H]3C2)c1	ZINC001084475422	914988236	/nfs/dbraw/zinc/98/82/36/914988236.db2.gz	MBWOXQYMZWIYDF-RCCFBDPRSA-N	1	0	352.438	1.117	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cnnn4)cn3)[C@@H]2C1	ZINC001084544562	915289765	/nfs/dbraw/zinc/28/97/65/915289765.db2.gz	ARMASRSFTZESGM-RHSMWYFYSA-N	1	0	353.430	1.170	20	30		FDEDRO
Cn1c(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)c[nH]c1=O	ZINC001084577670	915480772	/nfs/dbraw/zinc/48/07/72/915480772.db2.gz	SFYQUONDCDYYOE-NVXWUHKLSA-N	1	0	351.410	1.344	20	30		FDEDRO
CCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1C#N	ZINC000730139476	916182769	/nfs/dbraw/zinc/18/27/69/916182769.db2.gz	QLYUABFBVZLNRB-HNNXBMFYSA-N	1	0	373.482	1.578	20	30		FDEDRO
CCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(F)cc1	ZINC000730139911	916183087	/nfs/dbraw/zinc/18/30/87/916183087.db2.gz	CYQKFYXXEYDPKG-AWEZNQCLSA-N	1	0	366.462	1.845	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4cnc[nH]4)[C@@H]3C2)cc1	ZINC001084687111	916205259	/nfs/dbraw/zinc/20/52/59/916205259.db2.gz	LYQCTDNVVGIGHE-VQIMIIECSA-N	1	0	365.437	1.587	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn4nc(C)cc4[nH]c3=O)[C@@H]2C1	ZINC001084721302	916568314	/nfs/dbraw/zinc/56/83/14/916568314.db2.gz	JQFIEKUXRKVHKZ-GDBMZVCRSA-N	1	0	355.442	1.444	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](CCc4ccns4)C[C@H]32)cn1	ZINC001084784573	917093577	/nfs/dbraw/zinc/09/35/77/917093577.db2.gz	VWBMUDRLVNBTPO-CRAIPNDOSA-N	1	0	352.463	1.908	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H](Cc2ccccc2Cl)C(N)=O)CC1	ZINC000730795905	917292085	/nfs/dbraw/zinc/29/20/85/917292085.db2.gz	CXKUGQYONGFWQI-INIZCTEOSA-N	1	0	361.873	1.445	20	30		FDEDRO
C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(Cc4ccc(F)c(C#N)c4)C[C@H]32)C1	ZINC001084830243	917507469	/nfs/dbraw/zinc/50/74/69/917507469.db2.gz	PLLSWUIRPPHWLA-GPMSIDNRSA-N	1	0	356.445	1.682	20	30		FDEDRO
O=C(CCN1CCCC1=O)N1C[C@H]2CCN(CC#Cc3ccccc3)C[C@H]21	ZINC001084835599	917547693	/nfs/dbraw/zinc/54/76/93/917547693.db2.gz	JSWWSMIWVQOMKY-WOJBJXKFSA-N	1	0	365.477	1.583	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1	ZINC000731027104	917636991	/nfs/dbraw/zinc/63/69/91/917636991.db2.gz	POXWYXKCBCATKT-GASCZTMLSA-N	1	0	358.446	1.856	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4cncc(C)c4)C[C@H]32)CC1	ZINC001084850877	917657236	/nfs/dbraw/zinc/65/72/36/917657236.db2.gz	APJCPNIRLDHZFZ-NHCUHLMSSA-N	1	0	366.509	1.768	20	30		FDEDRO
C#CCOc1ccc(NC(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)cc1	ZINC000731058524	917678555	/nfs/dbraw/zinc/67/85/55/917678555.db2.gz	HTBBKRNEGAZURS-FUHWJXTLSA-N	1	0	369.465	1.970	20	30		FDEDRO
CN1CCOC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@H]2C1	ZINC001084925357	918357596	/nfs/dbraw/zinc/35/75/96/918357596.db2.gz	VDYMGFRLNZNQPS-UXPWSPDFSA-N	1	0	368.481	1.312	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4COC(=O)N4)C[C@@H]32)s1	ZINC001084932191	918482707	/nfs/dbraw/zinc/48/27/07/918482707.db2.gz	KOISRRPGNODWOQ-DFBGVHRSSA-N	1	0	360.439	1.151	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)C[C@@H]21	ZINC001084932226	918483248	/nfs/dbraw/zinc/48/32/48/918483248.db2.gz	MHHTWAJRAPASIX-XYPHTWIQSA-N	1	0	354.410	1.089	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4COC(=O)N4)C[C@@H]32)cc1	ZINC001084932441	918485009	/nfs/dbraw/zinc/48/50/09/918485009.db2.gz	XPSVUNHBNALLDS-IKGGRYGDSA-N	1	0	354.410	1.089	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)CO[C@@H]4CCOC4)C[C@@H]32)c1	ZINC001084939043	918596886	/nfs/dbraw/zinc/59/68/86/918596886.db2.gz	PSIFWKLSNHNULV-AQNXPRMDSA-N	1	0	369.465	1.787	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C(CC)CC)C3)C[C@@H]21	ZINC001084952104	918718520	/nfs/dbraw/zinc/71/85/20/918718520.db2.gz	WHDYPMKJVZIECI-AOIWGVFYSA-N	1	0	359.514	1.970	20	30		FDEDRO
CC(C)(C)N1NC=C2C[NH+]=C(NNC(=S)Nc3ccccc3C#N)N=C21	ZINC000731948170	918831362	/nfs/dbraw/zinc/83/13/62/918831362.db2.gz	XBWAAUILAKTASN-UHFFFAOYSA-N	1	0	368.470	1.620	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](Cn3cccn3)N(C)C)C[C@@H]21	ZINC001084958164	918849168	/nfs/dbraw/zinc/84/91/68/918849168.db2.gz	OJGWJNBGEKHCKQ-CEXWTWQISA-N	1	0	359.518	1.702	20	30		FDEDRO
C[NH+](C)CCCNC(=S)NN=C1CCOc2cc3c(cc21)OCO3	ZINC000731929520	918850490	/nfs/dbraw/zinc/85/04/90/918850490.db2.gz	YMYDFYXNKGPURU-UHFFFAOYSA-N	1	0	350.444	1.318	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3c3ncccn3)C[C@@H]21	ZINC001084961448	918865176	/nfs/dbraw/zinc/86/51/76/918865176.db2.gz	HRYODFXZHNPGPR-SQNIBIBYSA-N	1	0	355.486	1.944	20	30		FDEDRO
N#CCOc1ccc(CC(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1	ZINC000732064789	918977981	/nfs/dbraw/zinc/97/79/81/918977981.db2.gz	ZONAIDHEVVXKAX-IBGZPJMESA-N	1	0	357.454	1.845	20	30		FDEDRO
O=C([C@@H]1CCC(=O)NC1)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001084978252	919059136	/nfs/dbraw/zinc/05/91/36/919059136.db2.gz	FJQQQVWJSNZBQH-AQNXPRMDSA-N	1	0	365.477	1.487	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnn(C)c3C(F)(F)F)C[C@@H]21	ZINC001084980407	919141374	/nfs/dbraw/zinc/14/13/74/919141374.db2.gz	UZQXMSBNILUWOT-OCCSQVGLSA-N	1	0	354.376	1.999	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4cnnn4)cn3)C[C@@H]21	ZINC001084997783	919441553	/nfs/dbraw/zinc/44/15/53/919441553.db2.gz	ZCKPKFKIWDWQBQ-PBHICJAKSA-N	1	0	353.430	1.170	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4c[nH]nc4C)C[C@@H]32)C1=O	ZINC001085002614	919491809	/nfs/dbraw/zinc/49/18/09/919491809.db2.gz	VSIHCIIQCCKQPR-UAGQMJEPSA-N	1	0	357.458	1.041	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3(n4cnnn4)CCCCC3)C[C@@H]21	ZINC001085003794	919530227	/nfs/dbraw/zinc/53/02/27/919530227.db2.gz	QOURRROICDWLEW-SJORKVTESA-N	1	0	358.490	1.831	20	30		FDEDRO
Cn1c(C(=O)N2CC[C@H]3CC[N@H+](CC#Cc4ccccc4)[C@H]3C2)c[nH]c1=O	ZINC001085005949	919564941	/nfs/dbraw/zinc/56/49/41/919564941.db2.gz	RQRDABPULAJKAB-MJGOQNOKSA-N	1	0	364.449	1.714	20	30		FDEDRO
CN1C(=O)CC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@H]2C1	ZINC001085015071	919670331	/nfs/dbraw/zinc/67/03/31/919670331.db2.gz	VPTCGQUJTVHWDY-QRVBRYPASA-N	1	0	366.465	1.602	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4ccn(C)c4C)C[C@@H]32)C1=O	ZINC001085026058	919823327	/nfs/dbraw/zinc/82/33/27/919823327.db2.gz	WHVDNCSTIWSEFF-UHOSZYNNSA-N	1	0	370.497	1.657	20	30		FDEDRO
C[C@@]1(C(=O)N2CC[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)[C@H]3C2)CCNC1=O	ZINC001085030827	919876378	/nfs/dbraw/zinc/87/63/78/919876378.db2.gz	USDUWJKDYKNFKL-LVCYWYKZSA-N	1	0	366.465	1.507	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@H]32)c(F)c1	ZINC001085034593	919912985	/nfs/dbraw/zinc/91/29/85/919912985.db2.gz	ASRDUJNMGLEWMX-KBEGMRNHSA-N	1	0	370.428	1.242	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1	ZINC000732677752	919965867	/nfs/dbraw/zinc/96/58/67/919965867.db2.gz	XBBAHGQMMPNTCY-INIZCTEOSA-N	1	0	363.506	1.258	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N(C)C)[C@H]2C1	ZINC001085082804	920645837	/nfs/dbraw/zinc/64/58/37/920645837.db2.gz	DTCZEIYBIBISMB-MJGOQNOKSA-N	1	0	353.466	1.221	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c(c3)[nH]c(=O)n4C)C[C@@H]21	ZINC001085101260	920925293	/nfs/dbraw/zinc/92/52/93/920925293.db2.gz	ANLQKPXYRCTPQN-KDOFPFPSSA-N	1	0	352.438	1.839	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCCC2)[nH]1	ZINC001085174006	921969801	/nfs/dbraw/zinc/96/98/01/921969801.db2.gz	RZZQPWMRFWVFIM-HZPDHXFCSA-N	1	0	357.458	1.529	20	30		FDEDRO
Cc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)n1C1CC1	ZINC001085174057	921969949	/nfs/dbraw/zinc/96/99/49/921969949.db2.gz	UMEMWIOYKCLVLF-HZPDHXFCSA-N	1	0	367.457	1.952	20	30		FDEDRO
Cc1nc(C)n(CC[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(C#N)c2)n1	ZINC001085176344	922006400	/nfs/dbraw/zinc/00/64/00/922006400.db2.gz	AMWLIOWKZMLXAB-IAGOWNOFSA-N	1	0	355.446	1.426	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C)sn2)C1=O	ZINC001085183429	922056204	/nfs/dbraw/zinc/05/62/04/922056204.db2.gz	AJHVJNQYUSXAHB-KFWWJZLASA-N	1	0	362.499	1.869	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2nn(C)cc2C)C1=O	ZINC001085195598	922425137	/nfs/dbraw/zinc/42/51/37/922425137.db2.gz	FLXWKQUHQZAUIT-OAGGEKHMSA-N	1	0	359.474	1.146	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)C[NH+](CC)CC)CC1	ZINC001066217514	922611062	/nfs/dbraw/zinc/61/10/62/922611062.db2.gz	NHIUGQRMQZNJJS-AOIWGVFYSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=CCCOCC(=O)N1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1	ZINC001066218278	922613450	/nfs/dbraw/zinc/61/34/50/922613450.db2.gz	CQTYWTVMIGHGFO-FGTMMUONSA-N	1	0	365.518	1.807	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@H]2CCN3c2ccc(C#N)nn2)CC[N@@H+]1C	ZINC001066201645	922621086	/nfs/dbraw/zinc/62/10/86/922621086.db2.gz	FGZCHANODQYLAM-XWTMOSNGSA-N	1	0	368.485	1.648	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1snnc1C	ZINC001085230009	922984990	/nfs/dbraw/zinc/98/49/90/922984990.db2.gz	WLTPXWFLVPILNW-OAGGEKHMSA-N	1	0	361.515	1.461	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)O1	ZINC001085242649	923121005	/nfs/dbraw/zinc/12/10/05/923121005.db2.gz	ATQXVDXPTPYHAS-HUYLIWGRSA-N	1	0	370.497	1.794	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)nc1	ZINC000734268360	923136543	/nfs/dbraw/zinc/13/65/43/923136543.db2.gz	NPQATCXVSFKZQG-KRWDZBQOSA-N	1	0	372.473	1.308	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCC(=O)NC2)cc1	ZINC001085253929	923219491	/nfs/dbraw/zinc/21/94/91/923219491.db2.gz	LPIOJIYCCORPCK-KZNAEPCWSA-N	1	0	354.454	1.601	20	30		FDEDRO
Cn1c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(C#N)ccc2F)c[nH]c1=O	ZINC001085297104	923625369	/nfs/dbraw/zinc/62/53/69/923625369.db2.gz	CBDAYKPOSAZYHW-HZPDHXFCSA-N	1	0	371.416	1.967	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c(C)cnn2C)C1=O	ZINC001085301630	923671794	/nfs/dbraw/zinc/67/17/94/923671794.db2.gz	CCRMKLSNCWPQSY-OAGGEKHMSA-N	1	0	359.474	1.146	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(=O)cn2)s1	ZINC001085312424	923730533	/nfs/dbraw/zinc/73/05/33/923730533.db2.gz	DQOPURRAZDXDSF-ZIAGYGMSSA-N	1	0	357.439	1.534	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccn(C)c(=O)c2)c1	ZINC001085326035	923916939	/nfs/dbraw/zinc/91/69/39/923916939.db2.gz	SMAHCVBOKNSTCT-RTBURBONSA-N	1	0	364.449	1.592	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C3CC3)n[nH]2)C1=O	ZINC001085342515	924039518	/nfs/dbraw/zinc/03/95/18/924039518.db2.gz	YMWPTTPNZUZMKL-BZUAXINKSA-N	1	0	371.485	1.705	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cn(C)nn1	ZINC001085357525	924190639	/nfs/dbraw/zinc/19/06/39/924190639.db2.gz	AXLWTJSSJSNXDQ-MLHJIOFPSA-N	1	0	361.490	1.703	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnn(C)n1	ZINC001085362845	924258296	/nfs/dbraw/zinc/25/82/96/924258296.db2.gz	YWNWBUUSRLLHHQ-HZPDHXFCSA-N	1	0	368.441	1.526	20	30		FDEDRO
CC(C)[NH+]1CCN(CCC(=O)N2CCN(c3ccccc3C#N)CC2)CC1	ZINC000826797174	924309209	/nfs/dbraw/zinc/30/92/09/924309209.db2.gz	IUGPQJSOMSJGMT-UHFFFAOYSA-N	1	0	369.513	1.623	20	30		FDEDRO
C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)C1	ZINC001085387698	924381024	/nfs/dbraw/zinc/38/10/24/924381024.db2.gz	BUORGAGYRRYTFX-KFKAGJAMSA-N	1	0	368.481	1.944	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccnc(C)n2)C1=O	ZINC001085427038	924613778	/nfs/dbraw/zinc/61/37/78/924613778.db2.gz	LERVOJUNZAFSSS-BFYDXBDKSA-N	1	0	357.458	1.203	20	30		FDEDRO
CCN1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)C1	ZINC001085429341	924644391	/nfs/dbraw/zinc/64/43/91/924644391.db2.gz	OJABVRSTTJJROI-VAMGGRTRSA-N	1	0	370.497	1.796	20	30		FDEDRO
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2CC[N@H+](CCOC)C2)c1	ZINC000736660058	924867691	/nfs/dbraw/zinc/86/76/91/924867691.db2.gz	VMIMWPSLHWHWDK-IAGOWNOFSA-N	1	0	360.458	1.887	20	30		FDEDRO
C[NH+](C)C[C@@H]1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1	ZINC000738226626	925139869	/nfs/dbraw/zinc/13/98/69/925139869.db2.gz	YEZDSMFXPRQWKY-KXBFYZLASA-N	1	0	355.442	1.166	20	30		FDEDRO
C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CCC[C@@H](C(C)C)CC2)c1=O	ZINC000738242537	925149124	/nfs/dbraw/zinc/14/91/24/925149124.db2.gz	YEQNVJIHEZJBCD-MRXNPFEDSA-N	1	0	362.474	1.259	20	30		FDEDRO
CC(=O)NCC1CC[NH+](Cn2c(C)nnc2-c2cccc(C#N)c2)CC1	ZINC000739839744	925315642	/nfs/dbraw/zinc/31/56/42/925315642.db2.gz	FXDLAVGYVRTALL-UHFFFAOYSA-N	1	0	352.442	1.931	20	30		FDEDRO
C#CCSCCNC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1	ZINC000740518629	925405856	/nfs/dbraw/zinc/40/58/56/925405856.db2.gz	HCQJBTZSWRBOOE-UHFFFAOYSA-N	1	0	374.510	1.250	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NC(=O)CC[N@@H+](C)CCC)CC1	ZINC001066360330	925738893	/nfs/dbraw/zinc/73/88/93/925738893.db2.gz	WFZLYVMOUOOJLC-KSZLIROESA-N	1	0	365.518	1.807	20	30		FDEDRO
C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CCC3(C2)CCCCC3)c1=O	ZINC000742168213	925948244	/nfs/dbraw/zinc/94/82/44/925948244.db2.gz	ZIGOLFSVYDMZSN-UHFFFAOYSA-N	1	0	360.458	1.157	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC12CC[NH+](C)CC2	ZINC000742187460	925960932	/nfs/dbraw/zinc/96/09/32/925960932.db2.gz	RGATZJCQTANTAO-UHFFFAOYSA-N	1	0	366.469	1.847	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)NCC(C)(C)N1CC[NH+](C)CC1	ZINC000743198278	926290939	/nfs/dbraw/zinc/29/09/39/926290939.db2.gz	PANAPPJJSNRJOR-UHFFFAOYSA-N	1	0	362.449	1.985	20	30		FDEDRO
C[NH+](C)[C@H](CNc1ccc(S(N)(=O)=O)cc1C#N)c1ccsc1	ZINC000742176612	926311064	/nfs/dbraw/zinc/31/10/64/926311064.db2.gz	LGLJXJIACBWRSP-OAHLLOKOSA-N	1	0	350.469	1.982	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NCc2nnnn2CCC)C1	ZINC001086223256	926351822	/nfs/dbraw/zinc/35/18/22/926351822.db2.gz	IAJUPLAIHGLICN-IVSAIRAKSA-N	1	0	362.478	1.049	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cncc(OC)n2)C1	ZINC001086223483	926353506	/nfs/dbraw/zinc/35/35/06/926353506.db2.gz	RWRIMWRMNAOONC-KPEUIFRASA-N	1	0	360.458	1.451	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2ccc(-n3cnnn3)cc2Cl)CC1	ZINC000743491105	926378471	/nfs/dbraw/zinc/37/84/71/926378471.db2.gz	YUHFQOYMZCTGCS-UHFFFAOYSA-N	1	0	358.833	1.533	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](NC(=O)CCC[NH+](C)C)CC1	ZINC001066458817	926410594	/nfs/dbraw/zinc/41/05/94/926410594.db2.gz	OEQHZNVHZLIIGG-LNLFQRSKSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2nnc(C)n2CC)C1	ZINC001086368904	926861128	/nfs/dbraw/zinc/86/11/28/926861128.db2.gz	DONKVTYQGNOBPQ-VQHPVUNQSA-N	1	0	361.490	1.572	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@]1(C)C[N@H+](CC2CCOCC2)CCO1	ZINC001108275216	927208741	/nfs/dbraw/zinc/20/87/41/927208741.db2.gz	ZZDCKPWQZVBIHB-CMKODMSKSA-N	1	0	366.502	1.601	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NC(=O)CC[N@@H+](C)CC)CC1	ZINC001066540852	927401090	/nfs/dbraw/zinc/40/10/90/927401090.db2.gz	XJSSLANKKZDTIX-BBWFWOEESA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CC[C@H](NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccncc1	ZINC000745829943	927447796	/nfs/dbraw/zinc/44/77/96/927447796.db2.gz	JIWQLODEBDXJHC-IRXDYDNUSA-N	1	0	359.474	1.585	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)C1	ZINC001086479008	927504046	/nfs/dbraw/zinc/50/40/46/927504046.db2.gz	KQPRKBWATACHKA-XDKFSHSGSA-N	1	0	354.454	1.267	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(C(=O)NC)c2)C1	ZINC001086483240	927539336	/nfs/dbraw/zinc/53/93/36/927539336.db2.gz	SAIKOADDHAXHAP-OWYHZJEWSA-N	1	0	371.481	1.622	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)c2nnnn2C)C1	ZINC001086500654	927663295	/nfs/dbraw/zinc/66/32/95/927663295.db2.gz	LXEWQGUONVVJSM-QXKUPLGCSA-N	1	0	362.478	1.127	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1	ZINC000746297452	927742220	/nfs/dbraw/zinc/74/22/20/927742220.db2.gz	YCSWVIKQYGJRSC-SIKSDLMGSA-N	1	0	372.469	1.378	20	30		FDEDRO
COC(OC)c1c(/C=N/O)ccnc1-n1cnc(C)c1CSCC[NH3+]	ZINC001168786283	928030351	/nfs/dbraw/zinc/03/03/51/928030351.db2.gz	MFUCENYOFBTWGS-DNTJNYDQSA-N	1	0	365.459	1.867	20	30		FDEDRO
N#Cc1cc2nc(Cl)c(-n3cncc3C[C@@H]([NH3+])CO)nc2cc1C#N	ZINC001169071891	928261550	/nfs/dbraw/zinc/26/15/50/928261550.db2.gz	HEXHURSLBIAHIJ-LLVKDONJSA-N	1	0	353.773	1.074	20	30		FDEDRO
C#C[C@](C)(CC)[NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC001169177622	928340212	/nfs/dbraw/zinc/34/02/12/928340212.db2.gz	SLNLQKYONDVVKB-AUUYWEPGSA-N	1	0	359.474	1.384	20	30		FDEDRO
Cc1ccc(C(=Nc2ccc([C@H]3CC4(C[NH2+]C4)C(=O)N3)cc2)NO)nc1	ZINC001169408095	928513055	/nfs/dbraw/zinc/51/30/55/928513055.db2.gz	GHKJJOOEROAPQP-MRXNPFEDSA-N	1	0	351.410	1.598	20	30		FDEDRO
CCOC(=O)C1(Nc2c(Br)cncc2C#N)CC[NH+](C)CC1	ZINC001169495065	928679819	/nfs/dbraw/zinc/67/98/19/928679819.db2.gz	BIDDQQJHBLWRSO-UHFFFAOYSA-N	1	0	367.247	1.577	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cccc(OC)n2)[C@@H](n2ccnn2)C1	ZINC001129359257	929128972	/nfs/dbraw/zinc/12/89/72/929128972.db2.gz	AYHVJIFLIFGQQS-CVEARBPZSA-N	1	0	356.430	1.303	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1CCOC)c1ccncc1	ZINC000804354436	929318079	/nfs/dbraw/zinc/31/80/79/929318079.db2.gz	KWPHTVFLHYVBSD-IRXDYDNUSA-N	1	0	360.458	1.042	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)NC1CC[NH+](CCCOC)CC1)c1ccncc1	ZINC000804354527	929319927	/nfs/dbraw/zinc/31/99/27/929319927.db2.gz	XNGAVTQMAOVTOA-SFHVURJKSA-N	1	0	374.485	1.432	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2	ZINC001109519952	929642911	/nfs/dbraw/zinc/64/29/11/929642911.db2.gz	BIYWFPUXSKCVMG-WCZJQEMASA-N	1	0	367.453	1.360	20	30		FDEDRO
C#C[C@@H](C)[N@H+](C)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000769962107	929756580	/nfs/dbraw/zinc/75/65/80/929756580.db2.gz	QZQIJXAQGZGVBN-OAHLLOKOSA-N	1	0	352.456	1.040	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cncn3)nc1)C2	ZINC001109579406	929824745	/nfs/dbraw/zinc/82/47/45/929824745.db2.gz	UGKUFUVQSBUCKC-IKGGRYGDSA-N	1	0	368.441	1.200	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1nc3ccccn3c1=O)C2	ZINC001109584638	929849968	/nfs/dbraw/zinc/84/99/68/929849968.db2.gz	QRVKJSWIRCZSLW-PMPSAXMXSA-N	1	0	355.442	1.184	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn3c1nc(C)cc3C)C2	ZINC001109586080	929862359	/nfs/dbraw/zinc/86/23/59/929862359.db2.gz	HAJCECIWQNTEIM-NJAFHUGGSA-N	1	0	369.469	1.884	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1C(=O)CNC1=O	ZINC001109634048	929953309	/nfs/dbraw/zinc/95/33/09/929953309.db2.gz	AYVWWBRZKANRLL-WCVJEAGWSA-N	1	0	362.474	1.252	20	30		FDEDRO
C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNS(=O)(=O)CC	ZINC001109632779	929969699	/nfs/dbraw/zinc/96/96/99/929969699.db2.gz	CEAKAKMXACOZHK-NCOADZHNSA-N	1	0	371.547	1.640	20	30		FDEDRO
C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC[NH+]1CCCCC1	ZINC000770403681	930002420	/nfs/dbraw/zinc/00/24/20/930002420.db2.gz	GIYIDDNIJWDWLE-AWEZNQCLSA-N	1	0	365.455	1.254	20	30		FDEDRO
C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C2	ZINC001109671305	930104511	/nfs/dbraw/zinc/10/45/11/930104511.db2.gz	ASTUKOBTLVTRHO-OWSLCNJRSA-N	1	0	359.474	1.145	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)OC2(CC[NH+](CCCOC)CC2)C1	ZINC001111550864	930202889	/nfs/dbraw/zinc/20/28/89/930202889.db2.gz	MMZSXZZDCNEMPG-KURKYZTESA-N	1	0	366.502	1.696	20	30		FDEDRO
COC(=O)C[C@]1([NH2+]CC(=O)N(CCC#N)c2ccccc2)CCCOC1	ZINC000770709671	930220024	/nfs/dbraw/zinc/22/00/24/930220024.db2.gz	QKYVYPFZHHWTLZ-LJQANCHMSA-N	1	0	359.426	1.635	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCC2CC2)nn1	ZINC001109820192	930505690	/nfs/dbraw/zinc/50/56/90/930505690.db2.gz	HDCUUMJBTLLWFJ-RYRKJORJSA-N	1	0	359.474	1.616	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCC(C)C)nn1	ZINC001109811440	930508368	/nfs/dbraw/zinc/50/83/68/930508368.db2.gz	OMMAGAGFBFKZGS-RYRKJORJSA-N	1	0	361.490	1.862	20	30		FDEDRO
C=C(C)CN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2	ZINC001109981401	930948244	/nfs/dbraw/zinc/94/82/44/930948244.db2.gz	RPTMGENYQQEOIR-SQNIBIBYSA-N	1	0	374.529	1.228	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)OCC(=O)NCCO[C@@H]2CCCC[C@@H]2C)CC1	ZINC000772122118	931087482	/nfs/dbraw/zinc/08/74/82/931087482.db2.gz	QKPRBEPLMSTWRO-FUHWJXTLSA-N	1	0	364.486	1.586	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CS(=O)(=O)N(C)C)C2	ZINC001110049337	931261050	/nfs/dbraw/zinc/26/10/50/931261050.db2.gz	XURLEWLOHMFKSV-PMPSAXMXSA-N	1	0	359.536	1.570	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)C2	ZINC001110062193	931318257	/nfs/dbraw/zinc/31/82/57/931318257.db2.gz	JJEHOKLPHJPRKZ-KBXIAJHMSA-N	1	0	362.474	1.393	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccnc(C)c1)C2	ZINC001112548749	931473285	/nfs/dbraw/zinc/47/32/85/931473285.db2.gz	PFVPHZHSMPHTED-MDKPJZGXSA-N	1	0	370.497	1.913	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cncc(OCCOC)c1)C2	ZINC001112554291	931519448	/nfs/dbraw/zinc/51/94/48/931519448.db2.gz	JPNBMBPVSHSBMN-RXVVDRJESA-N	1	0	371.481	1.962	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCC#Cc2ccccc2)CC1=O	ZINC000785649000	931523553	/nfs/dbraw/zinc/52/35/53/931523553.db2.gz	YSXJKEYTNRKAIJ-RTBURBONSA-N	1	0	354.450	1.914	20	30		FDEDRO
C=C(Br)COC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1	ZINC000785650573	931525648	/nfs/dbraw/zinc/52/56/48/931525648.db2.gz	BXNSXLGHPRKHII-CHWSQXEVSA-N	1	0	359.264	1.771	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C(N)=O)c[nH]1)C2	ZINC001112552039	931528314	/nfs/dbraw/zinc/52/83/14/931528314.db2.gz	CPFIRBCRKXKIGR-GUYCJALGSA-N	1	0	350.850	1.698	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(F)CCCCC1)C2	ZINC001112557022	931543893	/nfs/dbraw/zinc/54/38/93/931543893.db2.gz	JPZYPZBDZCLTQW-LPHOPBHVSA-N	1	0	363.477	1.627	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCc3n[nH]nc3C1)C2	ZINC001112562651	931595824	/nfs/dbraw/zinc/59/58/24/931595824.db2.gz	IAERGYHGZPGYCW-DEYYWGMASA-N	1	0	363.893	1.880	20	30		FDEDRO
COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)Oc1ccccn1)C2	ZINC001112564050	931606822	/nfs/dbraw/zinc/60/68/22/931606822.db2.gz	AYXUBXCULANLHE-LQWHRVPQSA-N	1	0	371.481	1.717	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC3CC3)C2)nc1	ZINC001112565646	931614374	/nfs/dbraw/zinc/61/43/74/931614374.db2.gz	MBLYYVUUENYJFY-KKSFZXQISA-N	1	0	366.465	1.173	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(C)cc1)C2	ZINC001112568898	931633221	/nfs/dbraw/zinc/63/32/21/931633221.db2.gz	SKMTXCBDJRCCOZ-JLMWRMLUSA-N	1	0	367.493	1.965	20	30		FDEDRO
C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc3c(cn1)nc[nH]c3=O)C2	ZINC001112570921	931653236	/nfs/dbraw/zinc/65/32/36/931653236.db2.gz	VUXDIRIJADMTDU-DJJJIMSYSA-N	1	0	353.426	1.748	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC)C2)CCOCC1	ZINC001112571124	931653780	/nfs/dbraw/zinc/65/37/80/931653780.db2.gz	FPFVZJXLBJYBPX-JXFKEZNVSA-N	1	0	363.502	1.324	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1[nH]cnc1CC)C2	ZINC001112571869	931659604	/nfs/dbraw/zinc/65/96/04/931659604.db2.gz	RJLQHWQUDKOPKZ-LIRRHRJNSA-N	1	0	359.474	1.106	20	30		FDEDRO
C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CN(C(C)=O)CCO1)C2	ZINC001112572146	931666046	/nfs/dbraw/zinc/66/60/46/931666046.db2.gz	HEEKTGODLWIAEK-NSHGMRRFSA-N	1	0	363.502	1.418	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(C)cc1C)C2	ZINC001112572589	931669360	/nfs/dbraw/zinc/66/93/60/931669360.db2.gz	HDECXXCEGOQRSQ-AVRDEDQJSA-N	1	0	367.493	1.885	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc(C)c1C)C2	ZINC001112572618	931670149	/nfs/dbraw/zinc/67/01/49/931670149.db2.gz	IOSPYAZKIOTBHL-AVRDEDQJSA-N	1	0	367.493	1.885	20	30		FDEDRO
C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1c(=O)oc3ccccc31)C2	ZINC001112577009	931690205	/nfs/dbraw/zinc/69/02/05/931690205.db2.gz	VDGWGYYJRHFDKM-YWZLYKJASA-N	1	0	353.422	1.446	20	30		FDEDRO
Cc1ccccc1[C@H]([C@H](C)NC(=O)C(=O)Nc1cnn(CC#N)c1)[NH+](C)C	ZINC000786025431	931692630	/nfs/dbraw/zinc/69/26/30/931692630.db2.gz	MWUVJYYHIQHKDH-YOEHRIQHSA-N	1	0	368.441	1.461	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1C(=O)CN(C)C1=O)C2	ZINC001112574950	931699844	/nfs/dbraw/zinc/69/98/44/931699844.db2.gz	JYISHIQGAJCETL-KXBFYZLASA-N	1	0	362.474	1.065	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1nccnc1C(N)=O)C2	ZINC001112575943	931707181	/nfs/dbraw/zinc/70/71/81/931707181.db2.gz	LIOUKCUAFSOEEP-SJCJKPOMSA-N	1	0	363.849	1.160	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)NC(=O)NC)C2	ZINC001112584936	931787017	/nfs/dbraw/zinc/78/70/17/931787017.db2.gz	PYXMSFIUFQJQQE-GUYCJALGSA-N	1	0	356.898	1.665	20	30		FDEDRO
CNC(=O)CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#CCOC)C1	ZINC001112588477	931797587	/nfs/dbraw/zinc/79/75/87/931797587.db2.gz	AWZRSMHCPREUQF-PXNSSMCTSA-N	1	0	363.502	1.161	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(C)CC)C1	ZINC001112588949	931801414	/nfs/dbraw/zinc/80/14/14/931801414.db2.gz	DOXRWLUAJJDCNU-BXWFABGCSA-N	1	0	351.491	1.274	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ncnn2CC)C1	ZINC001112589324	931802843	/nfs/dbraw/zinc/80/28/43/931802843.db2.gz	UNBMMDZLRACOQK-BXWFABGCSA-N	1	0	361.490	1.607	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CCC(NC(C)=O)CC1)C2	ZINC001112591978	931823671	/nfs/dbraw/zinc/82/36/71/931823671.db2.gz	PCODCLQJFPYYMV-LQPXBXSXSA-N	1	0	359.514	1.923	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1cn(C)nn1)C2	ZINC001112592325	931828411	/nfs/dbraw/zinc/82/84/11/931828411.db2.gz	IZRMSPJVTGQGLE-YOEHRIQHSA-N	1	0	351.882	1.719	20	30		FDEDRO
Cc1cc(N2C[C@@H](O)[C@H](NC(=O)CC#Cc3ccccc3)C2)nc(C)n1	ZINC001090441349	931952988	/nfs/dbraw/zinc/95/29/88/931952988.db2.gz	PJIJDTMIENSJAK-QZTJIDSGSA-N	1	0	350.422	1.201	20	30		FDEDRO
N#Cc1cc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)ncn1	ZINC001170070907	932230711	/nfs/dbraw/zinc/23/07/11/932230711.db2.gz	JTLAAWIFKCUICX-UHFFFAOYSA-N	1	0	354.395	1.050	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1	ZINC000787259345	932233110	/nfs/dbraw/zinc/23/31/10/932233110.db2.gz	CKZPMZJVJMBNMK-GJZGRUSLSA-N	1	0	355.442	1.683	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000787710005	932379533	/nfs/dbraw/zinc/37/95/33/932379533.db2.gz	ZJLQXQMORWEBGP-TXEJJXNPSA-N	1	0	360.296	1.495	20	30		FDEDRO
COC(=O)CC[NH+]1CCC(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000788698667	932787511	/nfs/dbraw/zinc/78/75/11/932787511.db2.gz	HJQVROVKQPGUNA-UHFFFAOYSA-N	1	0	365.346	1.930	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NC2CC[NH+](CC(=C)C)CC2)n1	ZINC000788976698	932911052	/nfs/dbraw/zinc/91/10/52/932911052.db2.gz	FGEOMDRQPZMOIW-UHFFFAOYSA-N	1	0	373.501	1.715	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)n1	ZINC000789063840	932923828	/nfs/dbraw/zinc/92/38/28/932923828.db2.gz	KMBXWMSGNMQGLZ-AEFFLSMTSA-N	1	0	361.490	1.547	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)OCCO3)C2	ZINC001110089388	933166606	/nfs/dbraw/zinc/16/66/06/933166606.db2.gz	HLFFOGYOFUOQOR-IKGGRYGDSA-N	1	0	358.438	1.996	20	30		FDEDRO
CC(C)(C#N)CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000790043757	933310713	/nfs/dbraw/zinc/31/07/13/933310713.db2.gz	UBJRZQNJKNJCTG-DLBZAZTESA-N	1	0	365.499	1.339	20	30		FDEDRO
CC(C)(C#N)CS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000790043760	933311210	/nfs/dbraw/zinc/31/12/10/933311210.db2.gz	UBJRZQNJKNJCTG-SJORKVTESA-N	1	0	365.499	1.339	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC(=O)N(CC)C2)C1	ZINC001086591061	933721665	/nfs/dbraw/zinc/72/16/65/933721665.db2.gz	RQXYPEVYNAQGHI-CEXWTWQISA-N	1	0	353.466	1.462	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc3n[nH]nc3n2)C1	ZINC001086591636	933793909	/nfs/dbraw/zinc/79/39/09/933793909.db2.gz	WXTVQWLHTVDICR-MAUKXSAKSA-N	1	0	360.421	1.574	20	30		FDEDRO
C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC000790968427	933805956	/nfs/dbraw/zinc/80/59/56/933805956.db2.gz	OKUXVNWXTZMACB-INIZCTEOSA-N	1	0	358.442	1.764	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CCOC(=O)C/N=C1/NS(=O)(=O)c2ccccc21	ZINC000791259677	933933418	/nfs/dbraw/zinc/93/34/18/933933418.db2.gz	MJDUPACZHWBKKO-ZDUSSCGKSA-N	1	0	365.455	1.143	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2cc(C)nn2C)C1	ZINC001086599595	934031393	/nfs/dbraw/zinc/03/13/93/934031393.db2.gz	YCEOHCZRIQYYGX-VQTJNVASSA-N	1	0	350.466	1.879	20	30		FDEDRO
C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1	ZINC001086601103	934120551	/nfs/dbraw/zinc/12/05/51/934120551.db2.gz	GMVSORUGALDWDU-WKWVNEEDSA-N	1	0	356.466	1.808	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC2(CNc3cncc(C#N)n3)CCCCC2)CC[N@@H+]1C	ZINC001114186823	938325430	/nfs/dbraw/zinc/32/54/30/938325430.db2.gz	VMKYHTKHGBXVSO-GDBMZVCRSA-N	1	0	356.474	1.919	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[C@@H]1CCCO1	ZINC000793932079	938340930	/nfs/dbraw/zinc/34/09/30/938340930.db2.gz	SAYKUEGNRVIMLT-YSHGAJCASA-N	1	0	369.465	1.235	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[C@@H]1CCCO1	ZINC000793932075	938341061	/nfs/dbraw/zinc/34/10/61/938341061.db2.gz	SAYKUEGNRVIMLT-NQYYFHDYSA-N	1	0	369.465	1.235	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@]2(C)CCN(C(C)=O)C2)C1	ZINC001086618836	938343306	/nfs/dbraw/zinc/34/33/06/938343306.db2.gz	NFNKFGVFOYLZQQ-VWPQPMDRSA-N	1	0	367.493	1.852	20	30		FDEDRO
C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccn3c(=O)[nH]nc23)C1	ZINC001086619484	938354565	/nfs/dbraw/zinc/35/45/65/938354565.db2.gz	SFLFCZYDTJFPLR-DLBZAZTESA-N	1	0	363.421	1.819	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2	ZINC001114304395	938399895	/nfs/dbraw/zinc/39/98/95/938399895.db2.gz	QCRSFCSVYONTGF-RZKQDYJMSA-N	1	0	369.509	1.836	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)Cc2ccc(F)cc2)[C@@H](n2ccnn2)C1	ZINC001129412436	938407984	/nfs/dbraw/zinc/40/79/84/938407984.db2.gz	RRIOSZHWROBMCE-MSOLQXFVSA-N	1	0	357.433	1.968	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2n2ccnn2)CCOCC1	ZINC001129412516	938408090	/nfs/dbraw/zinc/40/80/90/938408090.db2.gz	ULFHHOCDSOYDDJ-CVEARBPZSA-N	1	0	365.453	1.352	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)COc2c(C)cccc2C)[C@@H](n2ccnn2)C1	ZINC001129421929	938411633	/nfs/dbraw/zinc/41/16/33/938411633.db2.gz	HLMKJIUXBCIYSB-MSOLQXFVSA-N	1	0	369.469	1.892	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCCCCOC)C[C@@H]1n1ccnn1	ZINC001129482278	938434639	/nfs/dbraw/zinc/43/46/39/938434639.db2.gz	SOOBUSZIMIGYHK-ZACQAIPSSA-N	1	0	365.478	1.027	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1	ZINC001086622949	938445838	/nfs/dbraw/zinc/44/58/38/938445838.db2.gz	BLPBBBXKRGGZLP-DOTOQJQBSA-N	1	0	368.437	1.260	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cc(CC)n[nH]2)C[C@@H]1n1ccnn1	ZINC001129598187	938461582	/nfs/dbraw/zinc/46/15/82/938461582.db2.gz	DJUKVFMTUBINLT-MSOLQXFVSA-N	1	0	371.489	1.965	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cnns2)C[C@@H]1n1ccnn1	ZINC001129608051	938463925	/nfs/dbraw/zinc/46/39/25/938463925.db2.gz	JHZSFQYLFURGNF-KGLIPLIRSA-N	1	0	361.475	1.531	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@@H]1n1ccnn1	ZINC001129593913	938467512	/nfs/dbraw/zinc/46/75/12/938467512.db2.gz	DRUTZBJJZLMPBR-IKGGRYGDSA-N	1	0	365.478	1.005	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]Cc2ccccc2N(C)C)[C@@H](n2ccnn2)C1	ZINC001129667495	938478961	/nfs/dbraw/zinc/47/89/61/938478961.db2.gz	WYVHGGFEEDKCJQ-MJGOQNOKSA-N	1	0	368.485	1.852	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n2ccnn2)C1	ZINC001129733255	938496661	/nfs/dbraw/zinc/49/66/61/938496661.db2.gz	PVMFSDUQEDBBMR-VASHYATMSA-N	1	0	353.854	1.355	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)C2=CCOCC2)C[C@@H]1n1ccnn1	ZINC001129762907	938503301	/nfs/dbraw/zinc/50/33/01/938503301.db2.gz	SLQCLQLYWZHLGO-MSOLQXFVSA-N	1	0	361.490	1.937	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H]([NH2+]Cc2cccc(F)c2)[C@@H](n2ccnn2)C1	ZINC001129830266	938523874	/nfs/dbraw/zinc/52/38/74/938523874.db2.gz	ZMHVDCYMELPQMX-MSOLQXFVSA-N	1	0	355.417	1.762	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H]([NH2+]CC#CCOC)[C@@H](n2ccnn2)C1	ZINC001129866539	938532304	/nfs/dbraw/zinc/53/23/04/938532304.db2.gz	DMZMGMDNRYLPDR-MSOLQXFVSA-N	1	0	357.458	1.038	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2scnc2CC)C[C@@H]1n1ccnn1	ZINC001129881925	938537872	/nfs/dbraw/zinc/53/78/72/938537872.db2.gz	XFVRWYKNTBQFNB-CABCVRRESA-N	1	0	360.487	1.919	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccnc(OC)c2)[C@@H](n2ccnn2)C1	ZINC001129884414	938538963	/nfs/dbraw/zinc/53/89/63/938538963.db2.gz	MWLHGRWOQOFCIO-SJORKVTESA-N	1	0	370.457	1.580	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2conc2C2CCCC2)C[C@@H]1n1ccnn1	ZINC001129890225	938541177	/nfs/dbraw/zinc/54/11/77/938541177.db2.gz	CJYKMQVKPCNQDQ-SJORKVTESA-N	1	0	368.441	1.602	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2c(C3CC3)cnn2C)C[C@@H]1n1ccnn1	ZINC001129890603	938541714	/nfs/dbraw/zinc/54/17/14/938541714.db2.gz	PYFADVXNGHBENH-CVEARBPZSA-N	1	0	355.446	1.120	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CC=CCC2)C[C@@H]1n1ccnn1	ZINC001129872434	938545344	/nfs/dbraw/zinc/54/53/44/938545344.db2.gz	WTBXPMJGYISJGM-AOIWGVFYSA-N	1	0	357.458	1.016	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccsc2COC)C[C@@H]1n1ccnn1	ZINC001129910575	938550237	/nfs/dbraw/zinc/55/02/37/938550237.db2.gz	ZEROQRJMHOPHRA-CABCVRRESA-N	1	0	359.455	1.165	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H]([NH2+]CCOC)[C@@H](n2ccnn2)C1	ZINC001129912481	938551183	/nfs/dbraw/zinc/55/11/83/938551183.db2.gz	JMRVTUKVDGYBMY-SJORKVTESA-N	1	0	371.441	1.145	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H]([NH2+]CCCCCF)[C@@H](n3ccnn3)C2)CCC1	ZINC001129894898	938556383	/nfs/dbraw/zinc/55/63/83/938556383.db2.gz	WZFUUMBCVOMZFV-SJORKVTESA-N	1	0	361.465	1.953	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)c(F)c2)C[C@@H]1n1ccnn1	ZINC001129900005	938559677	/nfs/dbraw/zinc/55/96/77/938559677.db2.gz	WQALAIXMDIEXPQ-CVEARBPZSA-N	1	0	357.389	1.104	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc3n[nH]cc3c2)C[C@@H]1n1ccnn1	ZINC001129932469	938562672	/nfs/dbraw/zinc/56/26/72/938562672.db2.gz	ZPVLCLBCCCUTRT-MSOLQXFVSA-N	1	0	365.441	1.315	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)(C)C)n[nH]2)C[C@@H]1n1ccnn1	ZINC001129918521	938567109	/nfs/dbraw/zinc/56/71/09/938567109.db2.gz	BPNWFDGWDRSISE-CABCVRRESA-N	1	0	357.462	1.530	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cccnc2)C[C@@H]1n1ccnn1	ZINC001129919287	938567762	/nfs/dbraw/zinc/56/77/62/938567762.db2.gz	UGCOMLBIRXGJDM-MSOLQXFVSA-N	1	0	368.485	1.959	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)COC2CCCCC2)C[C@@H]1n1ccnn1	ZINC001129923398	938568969	/nfs/dbraw/zinc/56/89/69/938568969.db2.gz	AHROGGPTGQUWIV-MSOLQXFVSA-N	1	0	361.490	1.935	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2coc(C(F)(F)F)n2)C[C@@H]1n1ccnn1	ZINC001129923497	938569222	/nfs/dbraw/zinc/56/92/22/938569222.db2.gz	FRAJVCLXSMTINI-PWSUYJOCSA-N	1	0	370.335	1.516	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3ccc(C)cc32)C[C@@H]1n1ccnn1	ZINC001129925305	938570834	/nfs/dbraw/zinc/57/08/34/938570834.db2.gz	ZDVLOWADTNMWIH-SJORKVTESA-N	1	0	363.425	1.141	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)n(CC)c2C)C[C@@H]1n1ccnn1	ZINC001129928680	938571966	/nfs/dbraw/zinc/57/19/66/938571966.db2.gz	GEJBSAVBAFPBBU-MSOLQXFVSA-N	1	0	356.474	1.948	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ncc(OC)cn2)C[C@@H]1n1ccnn1	ZINC001129928919	938572591	/nfs/dbraw/zinc/57/25/91/938572591.db2.gz	UZTOUVVPOLQWMD-IMJJTQAJSA-N	1	0	371.445	1.087	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2([C@@H]3CCCCO3)CCC2)C[C@@H]1n1ccnn1	ZINC001129930893	938573394	/nfs/dbraw/zinc/57/33/94/938573394.db2.gz	XRSVRIRAZPSFLV-SQNIBIBYSA-N	1	0	371.485	1.382	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]C[C@@H](CC)OC)[C@@H](n3ccnn3)C2)cc1	ZINC001129952409	938575556	/nfs/dbraw/zinc/57/55/56/938575556.db2.gz	SAIFYJXAVUWGGY-QRVBRYPASA-N	1	0	367.453	1.340	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H]([NH2+]Cc2cncn2C)[C@@H](n2ccnn2)C1	ZINC001129959028	938577731	/nfs/dbraw/zinc/57/77/31/938577731.db2.gz	CIUYNSLQAIAVMV-MSOLQXFVSA-N	1	0	369.473	1.137	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2ccc(C)n2)C[C@@H]1n1ccnn1	ZINC001129964066	938579584	/nfs/dbraw/zinc/57/95/84/938579584.db2.gz	UYPXKZMJDJWOMY-KURKYZTESA-N	1	0	371.489	1.742	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2ccc(=O)[nH]c2)C[C@@H]1n1ccnn1	ZINC001129977978	938593341	/nfs/dbraw/zinc/59/33/41/938593341.db2.gz	MPCPHFJFTUXVML-SJORKVTESA-N	1	0	370.457	1.319	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N1C[C@@H]([NH2+]CCc2cnn(C)c2)[C@@H](n2ccnn2)C1	ZINC001129978204	938594028	/nfs/dbraw/zinc/59/40/28/938594028.db2.gz	VMZJBWXYTZWPCD-JQHSSLGASA-N	1	0	371.489	1.198	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cc2cnoc2)C[C@@H]1n1ccnn1	ZINC001129980378	938595437	/nfs/dbraw/zinc/59/54/37/938595437.db2.gz	IICSBSPNTSUKPU-SJORKVTESA-N	1	0	358.446	1.597	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H]([NH2+]CCC2CCOCC2)[C@@H](n2ccnn2)C1	ZINC001129986518	938610132	/nfs/dbraw/zinc/61/01/32/938610132.db2.gz	DOFZCRSGFYZYAW-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)CC1	ZINC000804894654	938610864	/nfs/dbraw/zinc/61/08/64/938610864.db2.gz	MQUAMMQROBCVBG-UHFFFAOYSA-N	1	0	372.513	1.834	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCOc2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001129988413	938611214	/nfs/dbraw/zinc/61/12/14/938611214.db2.gz	PGCDXDONJXODKA-SJORKVTESA-N	1	0	359.405	1.414	20	30		FDEDRO
C=Cc1ccc(C(=O)N2C[C@@H]([NH2+]CC#CCOC)[C@@H](n3ccnn3)C2)cc1	ZINC001130014953	938616171	/nfs/dbraw/zinc/61/61/71/938616171.db2.gz	JLGPBUBHBQHBMQ-MOPGFXCFSA-N	1	0	365.437	1.226	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C3CC3)nc2C)C[C@@H]1n1ccnn1	ZINC001130007255	938624573	/nfs/dbraw/zinc/62/45/73/938624573.db2.gz	GLXBIOKNZSLSMS-MOPGFXCFSA-N	1	0	364.453	1.538	20	30		FDEDRO
C#CCCCS(=O)(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1	ZINC000804987844	938626775	/nfs/dbraw/zinc/62/67/75/938626775.db2.gz	OYWWHEBUWVQBBS-UHFFFAOYSA-N	1	0	367.490	1.800	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(CCCCC)n[nH]2)C[C@@H]1n1ccnn1	ZINC001130040868	938627197	/nfs/dbraw/zinc/62/71/97/938627197.db2.gz	PSLOVFQWLGITDX-MSOLQXFVSA-N	1	0	371.489	1.965	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(CCCCC)n[nH]2)C[C@@H]1n1ccnn1	ZINC001130040831	938627228	/nfs/dbraw/zinc/62/72/28/938627228.db2.gz	OHBCFMTVHNBKOA-SJORKVTESA-N	1	0	355.446	1.022	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnn(CCC)c2)C[C@@H]1n1ccnn1	ZINC001130024548	938628487	/nfs/dbraw/zinc/62/84/87/938628487.db2.gz	WGRUWBHCKSIBCM-JQHSSLGASA-N	1	0	371.489	1.895	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccn(C(CC)CC)n2)C[C@@H]1n1ccnn1	ZINC001130028423	938630730	/nfs/dbraw/zinc/63/07/30/938630730.db2.gz	RQDARBKUSRIRCR-MSOLQXFVSA-N	1	0	369.473	1.514	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC#CC)[C@@H](n2ccnn2)C1	ZINC001130033667	938634341	/nfs/dbraw/zinc/63/43/41/938634341.db2.gz	ARISNXQMMWXINK-MHORFTMASA-N	1	0	357.458	1.014	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCO[C@H]2C(=C)C)C[C@@H]1n1ccnn1	ZINC001130034596	938634600	/nfs/dbraw/zinc/63/46/00/938634600.db2.gz	SYDDAUPYBXMRLU-MHORFTMASA-N	1	0	357.458	1.014	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)C[C@H](C)O3)C[C@@H]1n1ccnn1	ZINC001130038004	938636138	/nfs/dbraw/zinc/63/61/38/938636138.db2.gz	HJVNFRCXSIUXLT-QGTPRVQTSA-N	1	0	367.453	1.833	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccccc2COC)C[C@@H]1n1ccnn1	ZINC001130038147	938636239	/nfs/dbraw/zinc/63/62/39/938636239.db2.gz	OQGZRRJAWVZUJW-MOPGFXCFSA-N	1	0	367.453	1.032	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccn3ccnc23)C[C@@H]1n1ccnn1	ZINC001130038351	938636641	/nfs/dbraw/zinc/63/66/41/938636641.db2.gz	ZFPVWYXDOUBQCB-CVEARBPZSA-N	1	0	351.414	1.157	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3ccccc3O2)C[C@@H]1n1ccnn1	ZINC001130054648	938639717	/nfs/dbraw/zinc/63/97/17/938639717.db2.gz	HMZCQUNLAAPBEE-AOIWGVFYSA-N	1	0	365.437	1.037	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1	ZINC001086628696	938647755	/nfs/dbraw/zinc/64/77/55/938647755.db2.gz	UUPCDIBJWBCXRS-PKOBYXMFSA-N	1	0	364.449	1.954	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCCc2cccnc2)C[C@@H]1n1ccnn1	ZINC001130065811	938653731	/nfs/dbraw/zinc/65/37/31/938653731.db2.gz	UCKWUURLFYUEPO-MSOLQXFVSA-N	1	0	352.442	1.061	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(CC)c[nH]c2=O)C[C@@H]1n1ccnn1	ZINC001130066523	938655035	/nfs/dbraw/zinc/65/50/35/938655035.db2.gz	CGEWZUCCOWDXOI-SJORKVTESA-N	1	0	370.457	1.563	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3sccc3[nH]2)C[C@@H]1n1ccnn1	ZINC001130070823	938657926	/nfs/dbraw/zinc/65/79/26/938657926.db2.gz	HSRKIDKVDOLDEY-CABCVRRESA-N	1	0	354.439	1.500	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)CC(C)C)C[C@@H]1n1ccnn1	ZINC001130081158	938662135	/nfs/dbraw/zinc/66/21/35/938662135.db2.gz	AHISMGFJKGOSTR-KSZLIROESA-N	1	0	363.506	1.895	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c3cccnc23)C[C@@H]1n1ccnn1	ZINC001130083529	938664577	/nfs/dbraw/zinc/66/45/77/938664577.db2.gz	ASCLGEIZRKABTO-SJORKVTESA-N	1	0	365.441	1.776	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@@H]1n1ccnn1	ZINC001130086379	938667924	/nfs/dbraw/zinc/66/79/24/938667924.db2.gz	YUQUMMXCRWRVPP-XHSDSOJGSA-N	1	0	371.489	1.675	20	30		FDEDRO
C#CC[C@@H](Cc1ccccc1)NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000805073618	938667939	/nfs/dbraw/zinc/66/79/39/938667939.db2.gz	QAXSLGOZDUNYRA-MOPGFXCFSA-N	1	0	370.497	1.508	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC23CCCC3)C[C@@H]1n1ccnn1	ZINC001130075170	938669533	/nfs/dbraw/zinc/66/95/33/938669533.db2.gz	POJQDSALOWOAGM-ZACQAIPSSA-N	1	0	359.474	1.403	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3cccnc3s2)C[C@@H]1n1ccnn1	ZINC001130077586	938670815	/nfs/dbraw/zinc/67/08/15/938670815.db2.gz	PCIAFWCEEJUXAI-CABCVRRESA-N	1	0	366.450	1.566	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2C(C)(C)C)C[C@@H]1n1ccnn1	ZINC001130079246	938672100	/nfs/dbraw/zinc/67/21/00/938672100.db2.gz	ABWQWUJYEBPMAB-CVEARBPZSA-N	1	0	371.489	1.920	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2C(C)(C)C)C[C@@H]1n1ccnn1	ZINC001130079533	938672499	/nfs/dbraw/zinc/67/24/99/938672499.db2.gz	OEECOAGYYVBMPU-CVEARBPZSA-N	1	0	371.489	1.920	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCOCCCOC)C[C@@H]1n1ccnn1	ZINC001130079741	938672710	/nfs/dbraw/zinc/67/27/10/938672710.db2.gz	XRKSMIQOGMLVLT-SJORKVTESA-N	1	0	365.478	1.029	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2ccccn2)C[C@@H]1n1ccnn1	ZINC001130088811	938675179	/nfs/dbraw/zinc/67/51/79/938675179.db2.gz	JXONCNWQZNNKQK-ZACQAIPSSA-N	1	0	370.457	1.448	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2c(C)nn(CC)c2C)C[C@@H]1n1ccnn1	ZINC001130088862	938675198	/nfs/dbraw/zinc/67/51/98/938675198.db2.gz	MCOXRJGQNIYMOP-MSOLQXFVSA-N	1	0	371.489	1.272	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]CC(CC)CC)[C@@H](n3ccnn3)C2)nc1	ZINC001130091483	938676772	/nfs/dbraw/zinc/67/67/72/938676772.db2.gz	WHUKZDKJYUUDQT-MOPGFXCFSA-N	1	0	366.469	1.746	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cc(C)ccc2C)C[C@@H]1n1ccnn1	ZINC001130102420	938684755	/nfs/dbraw/zinc/68/47/55/938684755.db2.gz	YEJIEHSALCDSEZ-MOPGFXCFSA-N	1	0	369.469	1.753	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]([NH2+]C[C@@H](C)CC)[C@@H](n2ccnn2)C1	ZINC001130109645	938688429	/nfs/dbraw/zinc/68/84/29/938688429.db2.gz	DJQACPBPYISSGO-DBVUQKKJSA-N	1	0	365.481	1.890	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COc2c(C)cccc2C)C[C@@H]1n1ccnn1	ZINC001130114789	938693888	/nfs/dbraw/zinc/69/38/88/938693888.db2.gz	CKGSRWHEVAQUGH-MSOLQXFVSA-N	1	0	367.453	1.339	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2ccc(C)nc2)C[C@@H]1n1ccnn1	ZINC001130125148	938696005	/nfs/dbraw/zinc/69/60/05/938696005.db2.gz	ANCYFGPMYDJUGU-UHOSZYNNSA-N	1	0	368.485	1.920	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OCCCC)cc2)C[C@@H]1n1ccnn1	ZINC001130118399	938701423	/nfs/dbraw/zinc/70/14/23/938701423.db2.gz	FDDWHDFGZVZYSZ-MOPGFXCFSA-N	1	0	367.453	1.746	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)c(F)c(C)c2)C[C@@H]1n1ccnn1	ZINC001130132848	938707776	/nfs/dbraw/zinc/70/77/76/938707776.db2.gz	SOOKYDSMGVBXBJ-SJORKVTESA-N	1	0	355.417	1.713	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCCOc2ccccc2F)C[C@@H]1n1ccnn1	ZINC001130134224	938708825	/nfs/dbraw/zinc/70/88/25/938708825.db2.gz	YNVNHFJEWZGBAL-SJORKVTESA-N	1	0	371.416	1.251	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCCOCC)C[C@@H]1n1ccnn1	ZINC001130134044	938708840	/nfs/dbraw/zinc/70/88/40/938708840.db2.gz	PRVVLRWKPJXTMI-ZACQAIPSSA-N	1	0	365.478	1.027	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001130142814	938714183	/nfs/dbraw/zinc/71/41/83/938714183.db2.gz	IBEVRKZYMMVNGV-SXLOBPIMSA-N	1	0	365.481	1.830	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cncc(C)c2)[C@@H](n2ccnn2)C1	ZINC001130151592	938715929	/nfs/dbraw/zinc/71/59/29/938715929.db2.gz	YZYOHCUCLFGYLX-NXHRZFHOSA-N	1	0	370.457	1.114	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2ccc(C)s2)C[C@@H]1n1ccnn1	ZINC001130155552	938718557	/nfs/dbraw/zinc/71/85/57/938718557.db2.gz	OEAYPRIEUSPVKV-SJORKVTESA-N	1	0	357.483	1.646	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c3ccc(F)cc32)C[C@@H]1n1ccnn1	ZINC001130155701	938718835	/nfs/dbraw/zinc/71/88/35/938718835.db2.gz	XBMCPTRBXBAXCV-MSOLQXFVSA-N	1	0	366.400	1.577	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)n(C(C)C)n2)C[C@@H]1n1ccnn1	ZINC001130158354	938719729	/nfs/dbraw/zinc/71/97/29/938719729.db2.gz	FCWCRIBNBHQHBA-SJORKVTESA-N	1	0	357.462	1.595	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(OC(C)C)cn2)C[C@@H]1n1ccnn1	ZINC001130158852	938720361	/nfs/dbraw/zinc/72/03/61/938720361.db2.gz	VAJUYKGJUQXKFH-MSOLQXFVSA-N	1	0	370.457	1.692	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]([NH2+]CCOCC)[C@@H](n3ccnn3)C2)CCCC1	ZINC001130163351	938722046	/nfs/dbraw/zinc/72/20/46/938722046.db2.gz	HKMHHTVDKXGKRY-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cccs2)n1	ZINC001130181282	938728597	/nfs/dbraw/zinc/72/85/97/938728597.db2.gz	FPDCALVJXAWCGX-STQMWFEESA-N	1	0	359.455	1.282	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cncs2)[nH]1	ZINC001130187854	938734099	/nfs/dbraw/zinc/73/40/99/938734099.db2.gz	NCKDFKQIJVKMQM-RYUDHWBXSA-N	1	0	362.459	1.229	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)COCCC)[nH]1	ZINC001130190488	938735431	/nfs/dbraw/zinc/73/54/31/938735431.db2.gz	AYHXDVLDTDCZFY-GJZGRUSLSA-N	1	0	365.478	1.276	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H](C)CCC)n1	ZINC001130193212	938737812	/nfs/dbraw/zinc/73/78/12/938737812.db2.gz	MROBLQCNOUUNMJ-PMPSAXMXSA-N	1	0	361.490	1.733	20	30		FDEDRO
CCCCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)C#N)[nH]1	ZINC001130203068	938744899	/nfs/dbraw/zinc/74/48/99/938744899.db2.gz	RMHSKNDDSZIMJJ-ILXRZTDVSA-N	1	0	362.478	1.623	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=Cc2ccc[nH]2)[nH]1	ZINC001130204748	938745733	/nfs/dbraw/zinc/74/57/33/938745733.db2.gz	IYJLJHDTHFDYKW-MIVXPEEVSA-N	1	0	370.457	1.501	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2sccc2F)[nH]1	ZINC001130207828	938746952	/nfs/dbraw/zinc/74/69/52/938746952.db2.gz	RQJVHFOQGUYRQH-JQWIXIFHSA-N	1	0	365.434	1.583	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccoc2CC)[nH]1	ZINC001130209515	938747643	/nfs/dbraw/zinc/74/76/43/938747643.db2.gz	DXKAHHTZHYATGF-WFASDCNBSA-N	1	0	359.430	1.538	20	30		FDEDRO
CCCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C#CC(C)C)[nH]1	ZINC001130209732	938747934	/nfs/dbraw/zinc/74/79/34/938747934.db2.gz	MJPQPUJBOKGDNB-HOTGVXAUSA-N	1	0	361.490	1.733	20	30		FDEDRO
O=C(C#CC1CC1)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CCCC2)[nH]1	ZINC001130212935	938749948	/nfs/dbraw/zinc/74/99/48/938749948.db2.gz	LIVDGWAFODADFF-IRXDYDNUSA-N	1	0	371.485	1.487	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@]2(C)CC=CCC2)n1	ZINC001130212976	938750056	/nfs/dbraw/zinc/75/00/56/938750056.db2.gz	NLGWEAPLCHVORL-TWOQFEAHSA-N	1	0	371.485	1.653	20	30		FDEDRO
C=CC(C)(C)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC#CC)n[nH]1	ZINC001130215663	938752004	/nfs/dbraw/zinc/75/20/04/938752004.db2.gz	AXPDBWAYIGMVSH-GJZGRUSLSA-N	1	0	359.474	1.509	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2C=CC=CC=C2)[nH]1	ZINC001130216494	938753009	/nfs/dbraw/zinc/75/30/09/938753009.db2.gz	YULIZVGPFLZWTA-IRXDYDNUSA-N	1	0	369.469	1.758	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H]2C=CCCC2)[nH]1	ZINC001130220855	938756506	/nfs/dbraw/zinc/75/65/06/938756506.db2.gz	OVDGDJGUCSVJJB-ULQDDVLXSA-N	1	0	371.485	1.653	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCCC23CC3)n1	ZINC001130221131	938756774	/nfs/dbraw/zinc/75/67/74/938756774.db2.gz	WBYMATMXEIJGCQ-JYJNAYRXSA-N	1	0	371.485	1.487	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCC(F)F)[nH]1	ZINC001130223106	938757063	/nfs/dbraw/zinc/75/70/63/938757063.db2.gz	MEOKTNRRNJTNJW-RYUDHWBXSA-N	1	0	357.405	1.504	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)[nH]1	ZINC001130223418	938757431	/nfs/dbraw/zinc/75/74/31/938757431.db2.gz	SNPQGCAUUMBJOB-VIQHNZTISA-N	1	0	373.501	1.895	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C23CCC(CC2)C3)n1	ZINC001130223403	938757483	/nfs/dbraw/zinc/75/74/83/938757483.db2.gz	RNDNLRNQIQGQGW-LPRCSBTHSA-N	1	0	357.458	1.097	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(F)c[nH]2)[nH]1	ZINC001130224887	938758812	/nfs/dbraw/zinc/75/88/12/938758812.db2.gz	HRYHBPCWSFIKBH-JSGCOSHPSA-N	1	0	362.409	1.240	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](CCC)OC)[nH]1	ZINC001130225234	938759794	/nfs/dbraw/zinc/75/97/94/938759794.db2.gz	YPZYUYJVVPANAI-KKUMJFAQSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H]2C[C@H]2C2CC2)[nH]1	ZINC001130227799	938761739	/nfs/dbraw/zinc/76/17/39/938761739.db2.gz	PVBLKFDSXSLVRP-QAETUUGQSA-N	1	0	373.501	1.895	20	30		FDEDRO
C=CC(C)(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C[C@H](C)OC)[nH]1	ZINC001130227917	938762126	/nfs/dbraw/zinc/76/21/26/938762126.db2.gz	VOOKJLSAEWLQLI-IHRRRGAJSA-N	1	0	365.478	1.130	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(CC)CCC2)n1	ZINC001130230351	938763910	/nfs/dbraw/zinc/76/39/10/938763910.db2.gz	UHZMYYBUAXHYPD-GJZGRUSLSA-N	1	0	359.474	1.487	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(CC)CCC2)[nH]1	ZINC001130230379	938764208	/nfs/dbraw/zinc/76/42/08/938764208.db2.gz	VPKGKONRYBTFOL-GJZGRUSLSA-N	1	0	359.474	1.487	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(CCC)CC2)[nH]1	ZINC001130232705	938765071	/nfs/dbraw/zinc/76/50/71/938765071.db2.gz	OSVAGORUJKJCLV-GJZGRUSLSA-N	1	0	359.474	1.487	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc[nH]c2CCC)n1	ZINC001130234589	938765933	/nfs/dbraw/zinc/76/59/33/938765933.db2.gz	CIDQKEWBDQLEDX-HOCLYGCPSA-N	1	0	370.457	1.111	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C)CC=CC2)[nH]1	ZINC001130234772	938766093	/nfs/dbraw/zinc/76/60/93/938766093.db2.gz	KUPVUKGDAULHPI-GJZGRUSLSA-N	1	0	357.458	1.263	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC23CCCC3)n1	ZINC001130244149	938770141	/nfs/dbraw/zinc/77/01/41/938770141.db2.gz	BQEJDQDFYMCPHN-KKUMJFAQSA-N	1	0	357.458	1.097	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C)c(C)c2)[nH]1	ZINC001130248955	938773169	/nfs/dbraw/zinc/77/31/69/938773169.db2.gz	BWCNPPLZXZZGJW-IRXDYDNUSA-N	1	0	369.469	2.000	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccc(C)c2C)[nH]1	ZINC001130249046	938773228	/nfs/dbraw/zinc/77/32/28/938773228.db2.gz	HIXSBYPTQPVDJO-IRXDYDNUSA-N	1	0	369.469	2.000	20	30		FDEDRO
COCCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)C#N)CC1	ZINC001130280905	938779136	/nfs/dbraw/zinc/77/91/36/938779136.db2.gz	BPPSQCDVGIHDSH-KYJSFNMBSA-N	1	0	364.490	1.048	20	30		FDEDRO
COCCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)C#N)CC1	ZINC001130280906	938779160	/nfs/dbraw/zinc/77/91/60/938779160.db2.gz	BPPSQCDVGIHDSH-LESCRADOSA-N	1	0	364.490	1.048	20	30		FDEDRO
C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCSCC)CC1	ZINC001130274332	938786496	/nfs/dbraw/zinc/78/64/96/938786496.db2.gz	HYPPZBNMRVWGGH-APWZRJJASA-N	1	0	365.543	1.628	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCOCC)CC1	ZINC001130278911	938789032	/nfs/dbraw/zinc/78/90/32/938789032.db2.gz	KJHZTMAUVIQFSR-APWZRJJASA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](OC)C2CC2)CC1	ZINC001130287782	938792418	/nfs/dbraw/zinc/79/24/18/938792418.db2.gz	DJOZMTNMBXRVJV-NZSAHSFTSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC(C)(C)O)CC1	ZINC001130287702	938792425	/nfs/dbraw/zinc/79/24/25/938792425.db2.gz	ADCXNRDKYMILOB-QAPCUYQASA-N	1	0	351.491	1.199	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCC)CC1	ZINC001130288048	938792669	/nfs/dbraw/zinc/79/26/69/938792669.db2.gz	INZDRFQTKQTAGP-UXPWSPDFSA-N	1	0	365.518	1.589	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@H](C)OC)CC1	ZINC001130288403	938793083	/nfs/dbraw/zinc/79/30/83/938793083.db2.gz	NVXVKBLGHXAFPS-VPWXQRGCSA-N	1	0	363.502	1.300	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCC)CC1	ZINC001130288238	938793126	/nfs/dbraw/zinc/79/31/26/938793126.db2.gz	JXFAMTPVPIQFTL-AYOQOUSVSA-N	1	0	351.491	1.199	20	30		FDEDRO
O=C(C#CC1CC1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C/C=C\Cl)CC1	ZINC001130290814	938795375	/nfs/dbraw/zinc/79/53/75/938795375.db2.gz	MAWKKSUPAUXPJB-KEZBFNFISA-N	1	0	363.889	1.628	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@H](C)O)CC1	ZINC001130293520	938796938	/nfs/dbraw/zinc/79/69/38/938796938.db2.gz	YBUIRCBOAQRFHX-LESCRADOSA-N	1	0	365.518	1.445	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](F)C(C)C)CC1	ZINC001130298656	938798817	/nfs/dbraw/zinc/79/88/17/938798817.db2.gz	AAHZGHXCCCEGJW-NJAFHUGGSA-N	1	0	351.466	1.479	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCO)CC1	ZINC001130298939	938799329	/nfs/dbraw/zinc/79/93/29/938799329.db2.gz	NMJFWFBKUGWFLY-VPWXQRGCSA-N	1	0	365.518	1.447	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1)[C@H]1CCCO1	ZINC000805636397	938799598	/nfs/dbraw/zinc/79/95/98/938799598.db2.gz	PKHWQLWBYSRPRQ-IXDOHACOSA-N	1	0	363.502	1.300	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1	ZINC001130313273	938807821	/nfs/dbraw/zinc/80/78/21/938807821.db2.gz	SCKVHUNZHCUYNZ-LXZKKBNFSA-N	1	0	355.454	1.022	20	30		FDEDRO
N#C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)C1CC[NH+](C2CC2)CC1	ZINC000805856064	938838551	/nfs/dbraw/zinc/83/85/51/938838551.db2.gz	UPLQCIPWKVFMJD-MRXNPFEDSA-N	1	0	369.421	1.980	20	30		FDEDRO
COCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#Cc2ccc(F)cc2)C1	ZINC001130464578	938857871	/nfs/dbraw/zinc/85/78/71/938857871.db2.gz	FUUBMZLLCVPTSK-PKOBYXMFSA-N	1	0	370.428	1.141	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CSC(C)C)C[C@H]1c1cn(C)cn1	ZINC001130512929	938892525	/nfs/dbraw/zinc/89/25/25/938892525.db2.gz	LSLVKLJLBGMQJP-DOTOQJQBSA-N	1	0	364.515	1.096	20	30		FDEDRO
COC(OC)c1c(C#C[Si](C)(C)C)ccnc1NCCN(C)CC[NH3+]	ZINC001170499923	938900888	/nfs/dbraw/zinc/90/08/88/938900888.db2.gz	YHPSZYKAGIVWRQ-UHFFFAOYSA-N	1	0	364.566	1.904	20	30		FDEDRO
Cn1cnc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2[NH2+]CCOCC2CC2)c1	ZINC001130587470	939888123	/nfs/dbraw/zinc/88/81/23/939888123.db2.gz	PGNPTLNCPWQWJF-PKOBYXMFSA-N	1	0	356.470	1.144	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@H]2CCCCO2)C1	ZINC001130580691	939893220	/nfs/dbraw/zinc/89/32/20/939893220.db2.gz	LXKFOFUAPAJOCD-ZIFCJYIRSA-N	1	0	358.486	1.677	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](OCC)C2=CCCC2)C[C@H]1c1cn(C)cn1	ZINC001130590163	939896150	/nfs/dbraw/zinc/89/61/50/939896150.db2.gz	CAWIHUGRAQLMGT-DFQSSKMNSA-N	1	0	370.497	1.843	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOCC2CC2)C1	ZINC001130590476	939897599	/nfs/dbraw/zinc/89/75/99/939897599.db2.gz	RNYLMFJHTABGTG-PKOBYXMFSA-N	1	0	358.486	1.390	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2ccnn2C)C[C@H]1c1cn(C)cn1	ZINC001130596636	939903583	/nfs/dbraw/zinc/90/35/83/939903583.db2.gz	NJVIGSVHEMHSKW-YQQAZPJKSA-N	1	0	356.474	1.417	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2ccn(CC)n2)C[C@H]1c1cn(C)cn1	ZINC001130596989	939904081	/nfs/dbraw/zinc/90/40/81/939904081.db2.gz	XCBIYFOKCIEXJC-PKOBYXMFSA-N	1	0	370.501	1.729	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCCc2ncc(C)o2)C[C@H]1c1cn(C)cn1	ZINC001130610303	939907526	/nfs/dbraw/zinc/90/75/26/939907526.db2.gz	HHSRZEYKVGYEPB-DOTOQJQBSA-N	1	0	357.458	1.809	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2cnc(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130614850	939912026	/nfs/dbraw/zinc/91/20/26/939912026.db2.gz	DSULIWLMGALJMP-FUHWJXTLSA-N	1	0	370.501	1.820	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)C2CCC2)C[C@H]1c1cn(C)cn1	ZINC001130615307	939912783	/nfs/dbraw/zinc/91/27/83/939912783.db2.gz	PSZNNNCZTROMKH-HHXXYDBFSA-N	1	0	358.486	1.390	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2nccnc2C)C1	ZINC001130602485	939914148	/nfs/dbraw/zinc/91/41/48/939914148.db2.gz	DGBRCHKMRJMIGW-QFBILLFUSA-N	1	0	368.485	1.959	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]cn2)C[C@H]1c1cn(C)cn1	ZINC001130604707	939916186	/nfs/dbraw/zinc/91/61/86/939916186.db2.gz	KCGFTJXMDRMHPZ-FUHWJXTLSA-N	1	0	356.474	1.626	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)cc2F)C[C@H]1c1cn(C)cn1	ZINC001130623507	939921529	/nfs/dbraw/zinc/92/15/29/939921529.db2.gz	BKHJOJNBKOHREV-QFBILLFUSA-N	1	0	370.428	1.789	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(COC)c2)C[C@H]1c1cn(C)cn1	ZINC001130623502	939921642	/nfs/dbraw/zinc/92/16/42/939921642.db2.gz	BGFNWWBTBCPDHC-AZUAARDMSA-N	1	0	366.465	1.788	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(Cl)n(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130623843	939921942	/nfs/dbraw/zinc/92/19/42/939921942.db2.gz	JNMCTOOSRSYBLM-SWLSCSKDSA-N	1	0	362.865	1.581	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)noc2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130626590	939923993	/nfs/dbraw/zinc/92/39/93/939923993.db2.gz	MNLOUNXSCHWFJP-DOTOQJQBSA-N	1	0	367.453	1.815	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ncc(Cl)s2)C[C@H]1c1cn(C)cn1	ZINC001130626618	939924360	/nfs/dbraw/zinc/92/43/60/939924360.db2.gz	OHXCKMJVHXASOH-WCQYABFASA-N	1	0	363.874	1.751	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2[nH]c(C)cc2C)C[C@H]1c1cn(C)cn1	ZINC001130616942	939928318	/nfs/dbraw/zinc/92/83/18/939928318.db2.gz	LAAYRNBMRUMVST-FUHWJXTLSA-N	1	0	371.485	1.765	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cccnc2)C[C@H]1c1cn(C)cn1	ZINC001130619487	939930423	/nfs/dbraw/zinc/93/04/23/939930423.db2.gz	TYUWDASHYSDJCQ-PKOBYXMFSA-N	1	0	365.481	1.700	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1c1cn(C)cn1	ZINC001130639991	939932020	/nfs/dbraw/zinc/93/20/20/939932020.db2.gz	UIEZMFBVXNFZDL-DZGCQCFKSA-N	1	0	358.446	1.023	20	30		FDEDRO
Cn1cnc([C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)C[C@H]2NCC#N)c1	ZINC001130633072	939936505	/nfs/dbraw/zinc/93/65/05/939936505.db2.gz	ZDBGQPTTWBJQJJ-DOTOQJQBSA-N	1	0	358.490	1.092	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1c1cn(C)cn1	ZINC001130635144	939937513	/nfs/dbraw/zinc/93/75/13/939937513.db2.gz	KPRYPSYPAAFVSB-GOEBONIOSA-N	1	0	371.441	1.276	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2cnn(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130635330	939937788	/nfs/dbraw/zinc/93/77/88/939937788.db2.gz	VATJVSDGFBLNFG-HHXXYDBFSA-N	1	0	368.485	1.255	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnc(C)n2C)C[C@H]1c1cn(C)cn1	ZINC001130651963	939946067	/nfs/dbraw/zinc/94/60/67/939946067.db2.gz	CIZQPONMRYZDPD-DOTOQJQBSA-N	1	0	356.474	1.626	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1c1cn(C)cn1	ZINC001130654250	939947843	/nfs/dbraw/zinc/94/78/43/939947843.db2.gz	BPLAGAVWMJWZQC-GOEBONIOSA-N	1	0	365.909	1.398	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#CCOC)C1	ZINC001130662441	939967861	/nfs/dbraw/zinc/96/78/61/939967861.db2.gz	YKCMSHKWJDDRIP-ILZDJORESA-N	1	0	358.486	1.556	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cn2cc(Cl)cn2)C[C@H]1c1cn(C)cn1	ZINC001130685434	939975821	/nfs/dbraw/zinc/97/58/21/939975821.db2.gz	SYSSZOPMISHCIO-GOEBONIOSA-N	1	0	362.865	1.430	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2cccnc2)C[C@H]1c1cn(C)cn1	ZINC001130687487	939977118	/nfs/dbraw/zinc/97/71/18/939977118.db2.gz	CCXHAEKVXDLIFV-IMFGXOCKSA-N	1	0	365.481	1.916	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2nc(CC)oc2C)C[C@H]1c1cn(C)cn1	ZINC001130689762	939979562	/nfs/dbraw/zinc/97/95/62/939979562.db2.gz	KBULTJPGMLDVEY-GOEBONIOSA-N	1	0	355.442	1.500	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCOCCCOC)C[C@H]1c1cn(C)cn1	ZINC001130709686	939997740	/nfs/dbraw/zinc/99/77/40/939997740.db2.gz	BCAOQKXIJYJENC-FUHWJXTLSA-N	1	0	364.490	1.323	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cnc(C3CC3)s2)C[C@H]1c1cn(C)cn1	ZINC001130719453	940022789	/nfs/dbraw/zinc/02/27/89/940022789.db2.gz	RIKVNIVFGZMKGV-GOEBONIOSA-N	1	0	369.494	1.975	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2[nH]cnc2CC)C[C@H]1c1cn(C)cn1	ZINC001130721633	940025481	/nfs/dbraw/zinc/02/54/81/940025481.db2.gz	LYIMRNGFKUIDAB-WMLDXEAASA-N	1	0	356.474	1.870	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccccc2F)C[C@H]1c1cn(C)cn1	ZINC001130721494	940025596	/nfs/dbraw/zinc/02/55/96/940025596.db2.gz	JVMPBLXKWICQKZ-QFBILLFUSA-N	1	0	354.429	1.709	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(F)cc(F)c2)C[C@H]1c1cn(C)cn1	ZINC001130723192	940028101	/nfs/dbraw/zinc/02/81/01/940028101.db2.gz	FANAESUFKPPPJL-FUHWJXTLSA-N	1	0	358.392	1.919	20	30		FDEDRO
CCCCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#CCOC)C1	ZINC001130723728	940028633	/nfs/dbraw/zinc/02/86/33/940028633.db2.gz	VOXXNSWBYZOPJM-PKOBYXMFSA-N	1	0	360.502	1.924	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2sc(C)nc2C)C[C@H]1c1cn(C)cn1	ZINC001130725783	940030521	/nfs/dbraw/zinc/03/05/21/940030521.db2.gz	DWKDTSHYERHOEL-GOEBONIOSA-N	1	0	357.483	1.715	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CN(C)Cc2ccccc2)C[C@H]1c1cn(C)cn1	ZINC001130736570	940037274	/nfs/dbraw/zinc/03/72/74/940037274.db2.gz	IQOLPNFLHAMUMF-AZUAARDMSA-N	1	0	365.481	1.069	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(CC)n(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130739951	940042169	/nfs/dbraw/zinc/04/21/69/940042169.db2.gz	WXKCBWZGJUUVOE-QFBILLFUSA-N	1	0	370.501	1.880	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)c2)C[C@H]1c1cn(C)cn1	ZINC001130731447	940044727	/nfs/dbraw/zinc/04/47/27/940044727.db2.gz	DVBFVCMCRSXEQN-PKOBYXMFSA-N	1	0	370.501	1.637	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(F)cc3)n2)O1	ZINC001130749987	940057136	/nfs/dbraw/zinc/05/71/36/940057136.db2.gz	XPXAZVXLRLKYPK-LSDHHAIUSA-N	1	0	357.389	1.317	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC=CCC3)n2)O1	ZINC001130756528	940079322	/nfs/dbraw/zinc/07/93/22/940079322.db2.gz	MAHLZBWEQPFOLP-HRCADAONSA-N	1	0	357.458	1.610	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3c(C)noc3C)n2)O1	ZINC001130756755	940080422	/nfs/dbraw/zinc/08/04/22/940080422.db2.gz	YXGXUBWBUFMSHF-QWHCGFSZSA-N	1	0	360.418	1.335	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCSCC)n2)O1	ZINC001130759929	940087775	/nfs/dbraw/zinc/08/77/75/940087775.db2.gz	RVHFVAGJMIAIKA-UONOGXRCSA-N	1	0	367.519	1.950	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H]3CCCO3)n2)O1	ZINC001130765041	940095193	/nfs/dbraw/zinc/09/51/93/940095193.db2.gz	FDLGUGJUDYMUPJ-QLFBSQMISA-N	1	0	363.462	1.376	20	30		FDEDRO
C=CCOCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC(=C)Cl)O2)n[nH]1	ZINC001130769808	940107554	/nfs/dbraw/zinc/10/75/54/940107554.db2.gz	PEPFZJNQWZWTHB-QWHCGFSZSA-N	1	0	369.853	1.186	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc4occc4[nH]3)n2)O1	ZINC001130785089	940119488	/nfs/dbraw/zinc/11/94/88/940119488.db2.gz	DFFROSVZEJTENI-SMDDNHRTSA-N	1	0	368.397	1.252	20	30		FDEDRO
O=C(C#CC1CC1)NCc1nc([C@H]2CC[C@@H](C[NH2+]C/C=C/Cl)O2)n[nH]1	ZINC001130785252	940119511	/nfs/dbraw/zinc/11/95/11/940119511.db2.gz	HPMAVNYLPQOKHU-DWZWMGIOSA-N	1	0	363.849	1.397	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(C)(C)C(C)C)n2)O1	ZINC001130785561	940120618	/nfs/dbraw/zinc/12/06/18/940120618.db2.gz	VHEZIGJVUNKLPN-LSDHHAIUSA-N	1	0	361.490	1.936	20	30		FDEDRO
C#CCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+][C@@H](C)COC)O2)n[nH]1	ZINC001130778071	940130993	/nfs/dbraw/zinc/13/09/93/940130993.db2.gz	DFOKOSSXIOEIHQ-SOUVJXGZSA-N	1	0	363.462	1.069	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@]3(C)C[C@H]4C[C@H]4C3)n2)O1	ZINC001130794105	940145579	/nfs/dbraw/zinc/14/55/79/940145579.db2.gz	MNKYOZXCQVFMRV-OYFMXXACSA-N	1	0	371.485	1.690	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](CCC)OCC)n2)O1	ZINC001130796129	940150178	/nfs/dbraw/zinc/15/01/78/940150178.db2.gz	JHOSKYHIKTVGDT-RRFJBIMHSA-N	1	0	363.462	1.069	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCOC)O2)n[nH]1	ZINC001130796584	940152965	/nfs/dbraw/zinc/15/29/65/940152965.db2.gz	ZAOGPLMZZSIZCL-SOUVJXGZSA-N	1	0	365.478	1.479	20	30		FDEDRO
C=C(C)CCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+][C@@H](C)COC)O2)n[nH]1	ZINC001130787569	940156833	/nfs/dbraw/zinc/15/68/33/940156833.db2.gz	YWWJHPSTELUSBL-SOUVJXGZSA-N	1	0	365.478	1.622	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ncccc3CC)n2)O1	ZINC001130790148	940162506	/nfs/dbraw/zinc/16/25/06/940162506.db2.gz	KEFBPMLXAZAQID-LSDHHAIUSA-N	1	0	370.457	1.688	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3[nH]ccc3C3CC3)n2)O1	ZINC001130790290	940163602	/nfs/dbraw/zinc/16/36/02/940163602.db2.gz	RJMMBOZGBQCKSR-DZGCQCFKSA-N	1	0	368.441	1.383	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC3CC(F)(F)C3)n2)O1	ZINC001130790359	940164305	/nfs/dbraw/zinc/16/43/05/940164305.db2.gz	WBSLDQFXSWLASU-QWHCGFSZSA-N	1	0	367.400	1.299	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](CCC)OC)n2)O1	ZINC001130799289	940191028	/nfs/dbraw/zinc/19/10/28/940191028.db2.gz	AJAPMCBHJBJRML-RRFJBIMHSA-N	1	0	363.462	1.069	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC34CCC4)n2)O1	ZINC001130811734	940204423	/nfs/dbraw/zinc/20/44/23/940204423.db2.gz	GXFFTHUBXSTVAM-SOUVJXGZSA-N	1	0	357.458	1.444	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(OC)o3)n2)O1	ZINC001130813293	940211625	/nfs/dbraw/zinc/21/16/25/940211625.db2.gz	LYMNXUYGMQJCRZ-NWDGAFQWSA-N	1	0	361.402	1.332	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cccn3CC)n2)O1	ZINC001130817133	940220666	/nfs/dbraw/zinc/22/06/66/940220666.db2.gz	ARYQZNIAXOQZBU-GOEBONIOSA-N	1	0	370.457	1.389	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCCn3cccc3)n2)O1	ZINC001130820027	940226713	/nfs/dbraw/zinc/22/67/13/940226713.db2.gz	LAYPYRMGXOVJCY-JKSUJKDBSA-N	1	0	370.457	1.146	20	30		FDEDRO
C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1	ZINC000807338828	940325754	/nfs/dbraw/zinc/32/57/54/940325754.db2.gz	NIOFJXWIVSXGQL-KRWDZBQOSA-N	1	0	367.453	1.134	20	30		FDEDRO
Cn1cncc1[C@@H]1CN(C(=O)CSCC#N)C[C@H]1[NH2+]Cc1ccccc1	ZINC001130921120	940331506	/nfs/dbraw/zinc/33/15/06/940331506.db2.gz	XOCPTLOBCLGCMV-IAGOWNOFSA-N	1	0	369.494	1.761	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCc2cnn(CC)c2)C1	ZINC001130936087	940332244	/nfs/dbraw/zinc/33/22/44/940332244.db2.gz	VBWQIEWZDGVKTK-QZTJIDSGSA-N	1	0	370.501	1.729	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CNC(=O)CCC)C[C@H]1c1cncn1C	ZINC001130928669	940337325	/nfs/dbraw/zinc/33/73/25/940337325.db2.gz	FNHOLQMSILRACY-HZPDHXFCSA-N	1	0	361.490	1.187	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)CCCOCC)C[C@H]1c1cncn1C	ZINC001130929209	940337861	/nfs/dbraw/zinc/33/78/61/940337861.db2.gz	MVJHGCNZGIQUIU-IAGOWNOFSA-N	1	0	364.490	1.323	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCF)C1	ZINC001130929721	940338635	/nfs/dbraw/zinc/33/86/35/940338635.db2.gz	VWNPZYDRWWHJEM-ARFHVFGLSA-N	1	0	352.454	1.645	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCc2ccccc2)C1	ZINC001130948268	940346724	/nfs/dbraw/zinc/34/67/24/940346724.db2.gz	CIWOPLXTTJDLNA-RTBURBONSA-N	1	0	368.481	1.749	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCF)C1	ZINC001130948865	940347388	/nfs/dbraw/zinc/34/73/88/940347388.db2.gz	ZSOHZPFJJAMHEW-HZPDHXFCSA-N	1	0	352.454	1.647	20	30		FDEDRO
CC[C@@H](SC)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CCOC)C1	ZINC001130959425	940365320	/nfs/dbraw/zinc/36/53/20/940365320.db2.gz	MOKJIACUFYIYAM-BFYDXBDKSA-N	1	0	364.515	1.096	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCO2)C[C@H]1c1cncn1C	ZINC001130961950	940367458	/nfs/dbraw/zinc/36/74/58/940367458.db2.gz	ZXASBJBPZGXKJS-JFIYKMOQSA-N	1	0	362.474	1.076	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C(C)=C2CCCC2)C[C@H]1c1cncn1C	ZINC001130954500	940374530	/nfs/dbraw/zinc/37/45/30/940374530.db2.gz	ZONUHBVAVRPBRX-RTBURBONSA-N	1	0	370.497	1.844	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)/C=C/c2ccc[nH]2)C[C@H]1c1cncn1C	ZINC001130971609	940380653	/nfs/dbraw/zinc/38/06/53/940380653.db2.gz	VYZKFTXRPBBDQZ-IKSUFZCESA-N	1	0	369.469	1.548	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)Cc2cccnc2)C[C@H]1c1cncn1C	ZINC001130964596	940386367	/nfs/dbraw/zinc/38/63/67/940386367.db2.gz	UCOJMNPCEYTRJW-QZTJIDSGSA-N	1	0	369.469	1.144	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC/C=C/CC)C1	ZINC001130983183	940397836	/nfs/dbraw/zinc/39/78/36/940397836.db2.gz	OWHVYNSBUVKJHA-KVOUSDQISA-N	1	0	360.502	1.988	20	30		FDEDRO
Cn1cncc1[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1[NH2+]C/C=C/Cl	ZINC001130975875	940403982	/nfs/dbraw/zinc/40/39/82/940403982.db2.gz	WEXOYZHMVHWMQK-SWVJOTTGSA-N	1	0	358.833	1.570	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1c1cncn1C	ZINC001130975836	940404114	/nfs/dbraw/zinc/40/41/14/940404114.db2.gz	UJVMHVLBKIAPQP-HZPDHXFCSA-N	1	0	371.489	1.493	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccc(F)cn2)C1	ZINC001130977872	940409016	/nfs/dbraw/zinc/40/90/16/940409016.db2.gz	FBHFJECJPUCRAG-QZTJIDSGSA-N	1	0	369.444	1.842	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C/C=C\Cl)C1	ZINC001130988723	940410736	/nfs/dbraw/zinc/41/07/36/940410736.db2.gz	KXKFEVDBDNTWPD-FAKDPMAQSA-N	1	0	350.850	1.097	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CC)C1	ZINC001130991341	940413510	/nfs/dbraw/zinc/41/35/10/940413510.db2.gz	DXVSENLBANWPNN-MTNOOBJLSA-N	1	0	356.470	1.309	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOC)C1	ZINC001131007600	940433820	/nfs/dbraw/zinc/43/38/20/940433820.db2.gz	BVRLAUKCRNAXAV-HZPDHXFCSA-N	1	0	357.458	1.252	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+][C@@H](C)COC)C2)CCC1	ZINC001131007747	940434179	/nfs/dbraw/zinc/43/41/79/940434179.db2.gz	JEIHDAXJIJXRAV-GVDBMIGSSA-N	1	0	358.486	1.533	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2nc(C)sc2C)C[C@H]1c1cncn1C	ZINC001131017581	940438227	/nfs/dbraw/zinc/43/82/27/940438227.db2.gz	BKWJJJFCEKLAJD-NVXWUHKLSA-N	1	0	371.510	1.643	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccccc2)C[C@H]1c1cncn1C	ZINC001131017715	940438523	/nfs/dbraw/zinc/43/85/23/940438523.db2.gz	HZBSQBRIEKZUAS-RTBURBONSA-N	1	0	366.465	1.197	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnc3n2CCC3)C[C@H]1c1cncn1C	ZINC001131010488	940441589	/nfs/dbraw/zinc/44/15/89/940441589.db2.gz	NMMTZKDCEPLRNL-HZPDHXFCSA-N	1	0	368.485	1.727	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cncc(Cl)c2C)C[C@H]1c1cncn1C	ZINC001131012580	940444246	/nfs/dbraw/zinc/44/42/46/940444246.db2.gz	KWHHUPWZZNJGOU-NVXWUHKLSA-N	1	0	371.872	1.998	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cncc3C2)C[C@H]1c1cncn1C	ZINC001131020129	940452627	/nfs/dbraw/zinc/45/26/27/940452627.db2.gz	LOVUMWHKUPUXKS-CGTJXYLNSA-N	1	0	368.485	1.339	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)nc2)C[C@H]1c1cncn1C	ZINC001131025875	940459055	/nfs/dbraw/zinc/45/90/55/940459055.db2.gz	HRWSKPSGRKAVJT-IAGOWNOFSA-N	1	0	369.469	1.988	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn3c2OCCC3)C[C@H]1c1cncn1C	ZINC001131026127	940459674	/nfs/dbraw/zinc/45/96/74/940459674.db2.gz	WGSPINUCSDIFNG-HZPDHXFCSA-N	1	0	370.457	1.173	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2ccc(=O)[nH]c2)C[C@H]1c1cncn1C	ZINC001131028714	940463112	/nfs/dbraw/zinc/46/31/12/940463112.db2.gz	DZBLLUWXRBYBIS-IAGOWNOFSA-N	1	0	369.469	1.614	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(C)cc2)C[C@H]1c1cncn1C	ZINC001131029004	940463969	/nfs/dbraw/zinc/46/39/69/940463969.db2.gz	VTXLTCAMTGEGHH-RTBURBONSA-N	1	0	350.466	1.879	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2(C3CC3)CCOCC2)C[C@H]1c1cncn1C	ZINC001131035607	940464877	/nfs/dbraw/zinc/46/48/77/940464877.db2.gz	JLOHWUSNRGXCFY-QZTJIDSGSA-N	1	0	370.497	1.534	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2sc(C)nc2C)C[C@H]1c1cncn1C	ZINC001131035957	940465225	/nfs/dbraw/zinc/46/52/25/940465225.db2.gz	VXQVEFWHMUOKCC-HZPDHXFCSA-N	1	0	371.510	1.643	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2nc(Cl)cs2)C[C@H]1c1cncn1C	ZINC001131054051	940480921	/nfs/dbraw/zinc/48/09/21/940480921.db2.gz	OZTJQFUMBLDZIG-VXGBXAGGSA-N	1	0	363.874	1.751	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C(C)(F)F)C[C@H]1c1cncn1C	ZINC001131072438	940485430	/nfs/dbraw/zinc/48/54/30/940485430.db2.gz	YQWCTJLJAHDAQM-RBSFLKMASA-N	1	0	368.428	1.245	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cn2nccc2C)C[C@H]1c1cncn1C	ZINC001131079703	940492255	/nfs/dbraw/zinc/49/22/55/940492255.db2.gz	QBKCINRENCTQLZ-IAGOWNOFSA-N	1	0	356.474	1.475	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3nncn3c2)C[C@H]1c1cncn1C	ZINC001131086551	940493615	/nfs/dbraw/zinc/49/36/15/940493615.db2.gz	RYLSOQFBIUQBLS-HZPDHXFCSA-N	1	0	365.441	1.237	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCCn2ccnc2C)C[C@H]1c1cncn1C	ZINC001131089792	940495073	/nfs/dbraw/zinc/49/50/73/940495073.db2.gz	ZZSXBIOIWOCHTO-QZTJIDSGSA-N	1	0	368.485	1.313	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(C)nc(C)n2)C[C@H]1c1cncn1C	ZINC001131089753	940495125	/nfs/dbraw/zinc/49/51/25/940495125.db2.gz	YERAWDOTWWAJIE-SJLPKXTDSA-N	1	0	368.485	1.991	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCCC(=O)N(C)C)C[C@H]1c1cncn1C	ZINC001131110744	940498400	/nfs/dbraw/zinc/49/84/00/940498400.db2.gz	XGPMHPMMDPSNKU-HZPDHXFCSA-N	1	0	361.490	1.139	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3n[nH]cc3C2)C[C@H]1c1cncn1C	ZINC001131107833	940502162	/nfs/dbraw/zinc/50/21/62/940502162.db2.gz	BKUADVSASVWVHV-YXJHDRRASA-N	1	0	368.485	1.408	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Oc2ccccn2)C[C@H]1c1cncn1C	ZINC001131108596	940502944	/nfs/dbraw/zinc/50/29/44/940502944.db2.gz	XJEJZKFQASSKGZ-GVDBMIGSSA-N	1	0	367.453	1.190	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2)C[C@H]1c1cncn1C	ZINC001131117578	940504180	/nfs/dbraw/zinc/50/41/80/940504180.db2.gz	FOCJIFSSHRGIGT-BHIYHBOVSA-N	1	0	366.465	1.795	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2ccccc2C)C[C@H]1c1cncn1C	ZINC001131119842	940505557	/nfs/dbraw/zinc/50/55/57/940505557.db2.gz	ZGQINRPMBDKGHJ-RTBURBONSA-N	1	0	350.466	1.879	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2sc(C)nc2C)C[C@H]1c1cncn1C	ZINC001131120888	940506310	/nfs/dbraw/zinc/50/63/10/940506310.db2.gz	BMEHEMJHADBDPQ-HUUCEWRRSA-N	1	0	357.483	1.715	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCOCc2ccccc2)C[C@H]1c1cncn1C	ZINC001131123313	940507000	/nfs/dbraw/zinc/50/70/00/940507000.db2.gz	AYQODTLDTPRSRV-RTBURBONSA-N	1	0	366.465	1.544	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C)CCOC)C[C@H]1c1cncn1C	ZINC001131125752	940507903	/nfs/dbraw/zinc/50/79/03/940507903.db2.gz	KNDIBMABUWNESJ-BRWVUGGUSA-N	1	0	364.490	1.179	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2noc3c2COCC3)C[C@H]1c1cncn1C	ZINC001131126382	940508074	/nfs/dbraw/zinc/50/80/74/940508074.db2.gz	ZTTIHJWQLIRIHV-UKRRQHHQSA-N	1	0	371.441	1.255	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2cnn(C)c2)C[C@H]1c1cncn1C	ZINC001131138415	940509300	/nfs/dbraw/zinc/50/93/00/940509300.db2.gz	AUZZVVRKBLEPID-CGTJXYLNSA-N	1	0	370.501	1.808	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)C2CC2)C[C@H]1c1cncn1C	ZINC001131130296	940510930	/nfs/dbraw/zinc/51/09/30/940510930.db2.gz	FQWVBGDUMNMODA-KBAYOESNSA-N	1	0	360.502	1.943	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCOCCOC)C[C@H]1c1cncn1C	ZINC001131132165	940512306	/nfs/dbraw/zinc/51/23/06/940512306.db2.gz	AJBKZLPTWCUDLH-IAGOWNOFSA-N	1	0	364.490	1.323	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)COCCc2ccccc2)C[C@H]1c1cncn1C	ZINC001131136634	940513682	/nfs/dbraw/zinc/51/36/82/940513682.db2.gz	XHAQRPFINJAFSY-RTBURBONSA-N	1	0	368.481	1.749	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C(C)(F)F)C1	ZINC001131297899	940545087	/nfs/dbraw/zinc/54/50/87/940545087.db2.gz	OGANRZBBRQHNGU-MCIONIFRSA-N	1	0	357.401	1.714	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCOC)C1	ZINC001131298186	940545232	/nfs/dbraw/zinc/54/52/32/940545232.db2.gz	WBHGYDIRAVCSSO-XHSDSOJGSA-N	1	0	351.447	1.095	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)COCC2CC2)C1	ZINC001131300656	940546562	/nfs/dbraw/zinc/54/65/62/940546562.db2.gz	CYXUMIGWEALYSU-BBWFWOEESA-N	1	0	363.458	1.095	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCC(C)C)C[C@H]32)C1	ZINC001131305009	940548426	/nfs/dbraw/zinc/54/84/26/940548426.db2.gz	ZXHYGZUHNDERHU-BBWFWOEESA-N	1	0	365.474	1.341	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCC(=C)C)C[C@H]32)C1	ZINC001131307271	940549051	/nfs/dbraw/zinc/54/90/51/940549051.db2.gz	NOKQGOONROUYRH-BBWFWOEESA-N	1	0	363.458	1.261	20	30		FDEDRO
C#CCC1(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[N@@H+](CCC)C[C@H]43)C2)CCC1	ZINC001131310042	940549688	/nfs/dbraw/zinc/54/96/88/940549688.db2.gz	FXNJGDGZPMOBQW-ZACQAIPSSA-N	1	0	359.470	1.696	20	30		FDEDRO
C=C(C)CCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CCCOC)C[C@H]32)C1	ZINC001131310164	940549787	/nfs/dbraw/zinc/54/97/87/940549787.db2.gz	JVWSXHOGKHSMMP-ZACQAIPSSA-N	1	0	365.474	1.485	20	30		FDEDRO
C=C(C)CN1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](CC)CC)C1	ZINC001131316360	940550899	/nfs/dbraw/zinc/55/08/99/940550899.db2.gz	GJMIGDWUEXSIDK-BBWFWOEESA-N	1	0	364.490	1.010	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ncccn2)C1	ZINC001131313295	940552988	/nfs/dbraw/zinc/55/29/88/940552988.db2.gz	NBBUOVOPIFXJAT-XHSDSOJGSA-N	1	0	371.441	1.162	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCC)CC1	ZINC001131424720	940566654	/nfs/dbraw/zinc/56/66/54/940566654.db2.gz	QQCALFLQESKUEZ-SUMDDJOVSA-N	1	0	365.518	1.853	20	30		FDEDRO
CC[C@H](F)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CSCC#N)CC1	ZINC001131429729	940567386	/nfs/dbraw/zinc/56/73/86/940567386.db2.gz	UFAXTVFJRYKVKA-UXLLHSPISA-N	1	0	357.495	1.977	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(C)on2)CC1	ZINC001131417073	940567670	/nfs/dbraw/zinc/56/76/70/940567670.db2.gz	TZHISCBTXFYSJJ-AEFFLSMTSA-N	1	0	361.442	1.232	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)SC)CC1	ZINC001131431982	940595423	/nfs/dbraw/zinc/59/54/23/940595423.db2.gz	YKTNCQOTVRHYEL-UAGQMJEPSA-N	1	0	354.516	1.373	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)CCC)CC1	ZINC001131455974	940609919	/nfs/dbraw/zinc/60/99/19/940609919.db2.gz	GYTQNGQKLNNFMY-SUMDDJOVSA-N	1	0	363.502	1.158	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCCCC)CC1	ZINC001131458533	940613267	/nfs/dbraw/zinc/61/32/67/940613267.db2.gz	QWKFBKDMUZIPEO-QUCCMNQESA-N	1	0	368.518	1.991	20	30		FDEDRO
C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC[C@H]2CCCO2)CC1	ZINC001131461617	940619945	/nfs/dbraw/zinc/61/99/45/940619945.db2.gz	RNRLVOPNKOPVBQ-GGPKGHCWSA-N	1	0	366.502	1.744	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1	ZINC001131461600	940619953	/nfs/dbraw/zinc/61/99/53/940619953.db2.gz	RCVLLEZYEUPLTE-QYZOEREBSA-N	1	0	365.518	1.269	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)n2cncn2)CC1	ZINC001131470626	940626147	/nfs/dbraw/zinc/62/61/47/940626147.db2.gz	LRWRGGWUTOFKJE-NXHRZFHOSA-N	1	0	361.490	1.791	20	30		FDEDRO
CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1	ZINC001131478671	940634329	/nfs/dbraw/zinc/63/43/29/940634329.db2.gz	FCTHAPCBUGDIHS-MSOLQXFVSA-N	1	0	360.458	1.522	20	30		FDEDRO
C#CCOCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cccnc2)CC1	ZINC001131498584	940648773	/nfs/dbraw/zinc/64/87/73/940648773.db2.gz	FWSPBFBBXLJRKX-CTNGQTDRSA-N	1	0	371.481	1.607	20	30		FDEDRO
C#CCOCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)COC)CC1	ZINC001131498949	940649336	/nfs/dbraw/zinc/64/93/36/940649336.db2.gz	VJVPTXIINAOTCO-SUMDDJOVSA-N	1	0	352.475	1.047	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(N)=O)CC1	ZINC001131503057	940653526	/nfs/dbraw/zinc/65/35/26/940653526.db2.gz	OXKLQEZSLKKUGI-LXZKKBNFSA-N	1	0	351.491	1.448	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2C=CC=CC=C2)CC1	ZINC001131506742	940669181	/nfs/dbraw/zinc/66/91/81/940669181.db2.gz	NAKXDVSFNIKSLM-RTWAWAEBSA-N	1	0	370.493	1.920	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOC)CC1	ZINC001131515398	940680315	/nfs/dbraw/zinc/68/03/15/940680315.db2.gz	ICAQVLUCZTUXSH-MJGOQNOKSA-N	1	0	361.486	1.920	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2cncnc2)CC1	ZINC001131533504	940704333	/nfs/dbraw/zinc/70/43/33/940704333.db2.gz	ISVZWIJMFBOPSN-QUCCMNQESA-N	1	0	356.470	1.418	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2cc(C)nn2C)CC1	ZINC001131533817	940704613	/nfs/dbraw/zinc/70/46/13/940704613.db2.gz	VCKSWIWDMKLHAZ-QUCCMNQESA-N	1	0	358.486	1.280	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCC(=O)NC2)CC1	ZINC001131522348	940705374	/nfs/dbraw/zinc/70/53/74/940705374.db2.gz	CWFCJZHYAQZTCJ-SCTDSRPQSA-N	1	0	363.502	1.465	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnc3ccccn32)CC1	ZINC001131522313	940705435	/nfs/dbraw/zinc/70/54/35/940705435.db2.gz	BLBDOPSXRGXEOX-XLIONFOSSA-N	1	0	366.465	1.957	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnc3ccccn32)CC1	ZINC001131522715	940706420	/nfs/dbraw/zinc/70/64/20/940706420.db2.gz	VNDXXYUTMDKMTE-XLIONFOSSA-N	1	0	366.465	1.957	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H](O)COC)CC1	ZINC001131545818	940721342	/nfs/dbraw/zinc/72/13/42/940721342.db2.gz	FDGHHGIMNKYRHO-ZACQAIPSSA-N	1	0	354.491	1.192	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@]2(COC)CCOC2)CC1	ZINC001131538094	940726317	/nfs/dbraw/zinc/72/63/17/940726317.db2.gz	GFSXMCBXPLIHSI-WSTZPKSXSA-N	1	0	364.486	1.049	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NC)CC1	ZINC001131538145	940726324	/nfs/dbraw/zinc/72/63/24/940726324.db2.gz	HTMLVMXXOCBQPD-WBVHZDCISA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@]2(C)CCC(=O)NC2)CC1	ZINC001131547810	940736789	/nfs/dbraw/zinc/73/67/89/940736789.db2.gz	DPGWVBFQANZANB-KPFFTGBYSA-N	1	0	363.502	1.465	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCc3nn[nH]c32)CC1	ZINC001131550503	940738954	/nfs/dbraw/zinc/73/89/54/940738954.db2.gz	WUZBYEHHKWDDHZ-WDYCEAGBSA-N	1	0	371.485	1.234	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC23CCC3)CC1	ZINC001131571077	940746973	/nfs/dbraw/zinc/74/69/73/940746973.db2.gz	ZTXCOFVFCCRCIG-OTWHNJEPSA-N	1	0	360.498	1.812	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccnc(N(C)C)c2)CC1	ZINC001131574754	940751675	/nfs/dbraw/zinc/75/16/75/940751675.db2.gz	HSNBHEJVYVKJJQ-QUCCMNQESA-N	1	0	370.497	1.770	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H](C)n2cccn2)CC1	ZINC001131590544	940760217	/nfs/dbraw/zinc/76/02/17/940760217.db2.gz	HZVJYWODQQDTBE-POAQFYNOSA-N	1	0	358.486	1.843	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCCC(N)=O)CC1	ZINC001131590796	940760742	/nfs/dbraw/zinc/76/07/42/940760742.db2.gz	TVESSVAWLZMAAB-APWZRJJASA-N	1	0	351.491	1.594	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCOC2CCOCC2)CC1	ZINC001131593107	940764482	/nfs/dbraw/zinc/76/44/82/940764482.db2.gz	MLECVMWSYQLKHL-QUCCMNQESA-N	1	0	364.486	1.191	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2ccco2)CC1	ZINC001131580257	940766306	/nfs/dbraw/zinc/76/63/06/940766306.db2.gz	NAAVFLUYGRDSJL-QUCCMNQESA-N	1	0	360.454	1.458	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn(C)n2)CC1	ZINC001131580601	940766725	/nfs/dbraw/zinc/76/67/25/940766725.db2.gz	ZPERJAHYOUUQJU-LESCRADOSA-N	1	0	361.490	1.769	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2ncccn2)CC1	ZINC001131583060	940769333	/nfs/dbraw/zinc/76/93/33/940769333.db2.gz	NEVCLQQSFIUWNN-XLIONFOSSA-N	1	0	356.470	1.418	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](NC(C)=O)C(C)C)CC1	ZINC001131594783	940776885	/nfs/dbraw/zinc/77/68/85/940776885.db2.gz	DLTNUVBJJAJAFQ-QRVBRYPASA-N	1	0	365.518	1.709	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)C)CC1	ZINC001131597032	940780297	/nfs/dbraw/zinc/78/02/97/940780297.db2.gz	HPKZJXIUNYMANB-WBVHZDCISA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)C)CC1	ZINC001131597061	940781020	/nfs/dbraw/zinc/78/10/20/940781020.db2.gz	JJHQBYLEHKFELF-UAGQMJEPSA-N	1	0	365.518	1.709	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCN2C(C)=O)CC1	ZINC001131609050	940789022	/nfs/dbraw/zinc/78/90/22/940789022.db2.gz	XXQIPKVZQSVZDH-QRVBRYPASA-N	1	0	361.486	1.006	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)NC(=O)NC)CC1	ZINC001131609065	940789104	/nfs/dbraw/zinc/78/91/04/940789104.db2.gz	YTMXWLDIZQPUHB-CVEARBPZSA-N	1	0	366.506	1.256	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2ccnc2)CC1	ZINC001131613082	940792302	/nfs/dbraw/zinc/79/23/02/940792302.db2.gz	VNRDWULQRSVYEY-MJGOQNOKSA-N	1	0	362.474	1.071	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(C)c1)[C@H]1CCCO1	ZINC000809309524	940814456	/nfs/dbraw/zinc/81/44/56/940814456.db2.gz	NHJPXDQOBDFFFM-RTBURBONSA-N	1	0	371.481	1.182	20	30		FDEDRO
Cc1cc(C)n(CC[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1	ZINC001086676620	940949160	/nfs/dbraw/zinc/94/91/60/940949160.db2.gz	MBQWUXRLNRGRHR-DOTOQJQBSA-N	1	0	354.458	1.888	20	30		FDEDRO
N#Cc1csc(C[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)n1	ZINC000810148144	940961282	/nfs/dbraw/zinc/96/12/82/940961282.db2.gz	NVEQVRGIGHDOTO-UHFFFAOYSA-N	1	0	354.379	1.418	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)C2CN(C(C)=O)C2)C1	ZINC001086682598	941046864	/nfs/dbraw/zinc/04/68/64/941046864.db2.gz	XNOVJAKIMPIHPH-GXTWGEPZSA-N	1	0	358.280	1.248	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1	ZINC000811600001	941144410	/nfs/dbraw/zinc/14/44/10/941144410.db2.gz	AVONNQNOVJLGMG-AWEZNQCLSA-N	1	0	351.472	1.057	20	30		FDEDRO
CON=CC(=O)NC1CCC([NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000812771091	941269969	/nfs/dbraw/zinc/26/99/69/941269969.db2.gz	DSXDFMQWVNPZAM-UHFFFAOYSA-N	1	0	368.478	1.599	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CCC(=O)N2CCc3sccc3C2)CC1	ZINC000747816724	941272174	/nfs/dbraw/zinc/27/21/74/941272174.db2.gz	SNELYKJCTNRLLE-UHFFFAOYSA-N	1	0	359.495	1.484	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccccc2OC)CC1	ZINC000747817999	941273084	/nfs/dbraw/zinc/27/30/84/941273084.db2.gz	CQPAYRXRIRBMNU-CVEARBPZSA-N	1	0	371.481	1.722	20	30		FDEDRO
C#C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccc(F)cc1	ZINC000812889074	941287508	/nfs/dbraw/zinc/28/75/08/941287508.db2.gz	MOSUDDYSAQNJKE-MJGOQNOKSA-N	1	0	358.461	1.968	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)CCc2ccccc2)C[C@H]1O	ZINC001195254761	970795910	/nfs/dbraw/zinc/79/59/10/970795910.db2.gz	HAIBUTKLJWOIGI-IPMKNSEASA-N	1	0	360.498	1.744	20	30		FDEDRO
C=CCCCCC[NH2+]CCNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1	ZINC001133791356	941392345	/nfs/dbraw/zinc/39/23/45/941392345.db2.gz	GXGXTNKSOASFHI-DLBZAZTESA-N	1	0	351.491	1.609	20	30		FDEDRO
C[C@H](CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)[NH+]1CCCCC1	ZINC000813595395	941412875	/nfs/dbraw/zinc/41/28/75/941412875.db2.gz	WEIJBPYFDBDZBZ-WBVHZDCISA-N	1	0	357.458	1.990	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCN(c2ccccc2F)C1=O	ZINC001134054926	941531352	/nfs/dbraw/zinc/53/13/52/941531352.db2.gz	VLDFIRGVUFAXLO-UNEWFSDZSA-N	1	0	361.417	1.228	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NCCc1cccs1	ZINC001134062101	941540815	/nfs/dbraw/zinc/54/08/15/941540815.db2.gz	RLXKVWMBLIPYQT-IMJJTQAJSA-N	1	0	365.499	1.092	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCCCc1ccccc1	ZINC001134062112	941540838	/nfs/dbraw/zinc/54/08/38/941540838.db2.gz	RXEONLKAPYDUEZ-MSOLQXFVSA-N	1	0	359.470	1.032	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NCCc1cccs1	ZINC001134062100	941540954	/nfs/dbraw/zinc/54/09/54/941540954.db2.gz	RLXKVWMBLIPYQT-BMFZPTHFSA-N	1	0	365.499	1.092	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1	ZINC000814180731	941569125	/nfs/dbraw/zinc/56/91/25/941569125.db2.gz	OQEQOUHNFDBVJW-OALUTQOASA-N	1	0	373.497	1.804	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1	ZINC001086718210	941582237	/nfs/dbraw/zinc/58/22/37/941582237.db2.gz	MSSUXCYIQWKPAO-BBWFWOEESA-N	1	0	368.485	1.941	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NCCCC[NH+]2CCC(C)CC2)CC1	ZINC000747980880	941728069	/nfs/dbraw/zinc/72/80/69/941728069.db2.gz	CIWGNDCSODVVAV-UHFFFAOYSA-N	1	0	362.518	1.670	20	30		FDEDRO
C#CCNC(=O)CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2	ZINC000815071324	941773561	/nfs/dbraw/zinc/77/35/61/941773561.db2.gz	HWWHRCUGOQQERI-KRWDZBQOSA-N	1	0	355.438	1.554	20	30		FDEDRO
C#CCNC(=O)CC[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1	ZINC000815086340	941779040	/nfs/dbraw/zinc/77/90/40/941779040.db2.gz	IDDOQNYIGLSWHP-MRXNPFEDSA-N	1	0	371.485	1.857	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN([C@@H]2CC[N@H+](CCOCCC#N)C2)CC1	ZINC000815118025	941780754	/nfs/dbraw/zinc/78/07/54/941780754.db2.gz	WURFMZCVJLBQOH-MRXNPFEDSA-N	1	0	352.479	1.544	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1	ZINC000265990503	970838866	/nfs/dbraw/zinc/83/88/66/970838866.db2.gz	JIOROUNGUJITRA-CQSZACIVSA-N	1	0	358.442	1.803	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccc(F)cc1	ZINC001135058685	941874578	/nfs/dbraw/zinc/87/45/78/941874578.db2.gz	YTMQRCKUKURXFO-WMZOPIPTSA-N	1	0	363.433	1.841	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N(C)Cc1ccco1	ZINC001135067749	941883477	/nfs/dbraw/zinc/88/34/77/941883477.db2.gz	KXIUMXNHFSWXMS-WMZOPIPTSA-N	1	0	363.458	1.315	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(C)nn1Cc1ccccc1	ZINC000815860185	941996799	/nfs/dbraw/zinc/99/67/99/941996799.db2.gz	ZZIOWFRCTJMOCR-UHFFFAOYSA-N	1	0	367.453	1.250	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccccc1OC(F)(F)F	ZINC000815861540	941997025	/nfs/dbraw/zinc/99/70/25/941997025.db2.gz	NNGQAGMBNWQHJS-UHFFFAOYSA-N	1	0	357.332	1.595	20	30		FDEDRO
C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)Cc2ccc(OCC#N)cc2)CC1	ZINC000816682205	942300932	/nfs/dbraw/zinc/30/09/32/942300932.db2.gz	RLOJFJRTISERSX-MRXNPFEDSA-N	1	0	357.454	1.843	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cncc(CC)c3)C2)C1=O	ZINC001086759591	942380400	/nfs/dbraw/zinc/38/04/00/942380400.db2.gz	POFHESNQSJPVPM-QXAKKESOSA-N	1	0	370.497	1.919	20	30		FDEDRO
CN1C[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)NC1=O	ZINC001086777338	942452137	/nfs/dbraw/zinc/45/21/37/942452137.db2.gz	MFAIGTYQBMCEKS-ZOWXZIJZSA-N	1	0	361.471	1.018	20	30		FDEDRO
C=C(C[NH+](C)C)C(=O)N1CCN(Cc2c(C)nc3cc(C)ccn32)CC1	ZINC001135796436	942485215	/nfs/dbraw/zinc/48/52/15/942485215.db2.gz	LEUPOQMLXDEKCK-UHFFFAOYSA-N	1	0	355.486	1.713	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H]3CCN(CC=C)C3=O)C2)c1	ZINC001086798351	942634519	/nfs/dbraw/zinc/63/45/19/942634519.db2.gz	IYBSABNISVYKDJ-UHOSZYNNSA-N	1	0	366.465	1.338	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1ccncc1	ZINC001170862470	942703841	/nfs/dbraw/zinc/70/38/41/942703841.db2.gz	MNXOSXQEVKOJFB-BPQIPLTHSA-N	1	0	356.470	1.199	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1F	ZINC001086804212	942769080	/nfs/dbraw/zinc/76/90/80/942769080.db2.gz	YLUGLSHSMPEJKH-SRMUXQRQSA-N	1	0	358.417	1.193	20	30		FDEDRO
CC(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=O)NCC#N	ZINC001170870157	942798984	/nfs/dbraw/zinc/79/89/84/942798984.db2.gz	DXAYQKNVONKJOO-RYRKJORJSA-N	1	0	366.506	1.342	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCO[C@H]1C(C)C	ZINC001170871671	942809324	/nfs/dbraw/zinc/80/93/24/942809324.db2.gz	QOHYGXOHEFITDV-LNLFQRSKSA-N	1	0	365.518	1.452	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc([C@H]3CC(=O)NC(=O)N3)cc2)CC1	ZINC000856149803	970946442	/nfs/dbraw/zinc/94/64/42/970946442.db2.gz	DOTDQYBPKKBTAF-MRXNPFEDSA-N	1	0	354.410	1.241	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N2CCC(C[NH+](CC)CC)CC2)c1	ZINC000817842713	943004719	/nfs/dbraw/zinc/00/47/19/943004719.db2.gz	AWOLOAIYGQTVST-UHFFFAOYSA-N	1	0	355.482	1.865	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)c1	ZINC000817843146	943006283	/nfs/dbraw/zinc/00/62/83/943006283.db2.gz	QILIVPDMXANHSR-UHFFFAOYSA-N	1	0	369.490	1.936	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21	ZINC000818174417	943186106	/nfs/dbraw/zinc/18/61/06/943186106.db2.gz	BWSOKNUXSWCVNK-JYJNAYRXSA-N	1	0	352.479	1.134	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2[NH2+]CC2(C)C)cc1	ZINC000818490458	943255503	/nfs/dbraw/zinc/25/55/03/943255503.db2.gz	ASDRMQNZAFVGIC-KWPCUBQOSA-N	1	0	364.471	1.436	20	30		FDEDRO
CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2CC[NH2+]2)c1	ZINC000818466065	943269966	/nfs/dbraw/zinc/26/99/66/943269966.db2.gz	OAORATGJRJIZKE-OQCHKFKFSA-N	1	0	364.471	1.580	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(OC)cc1	ZINC000818588994	943297855	/nfs/dbraw/zinc/29/78/55/943297855.db2.gz	MCAZUPUFJKQUNF-PKOBYXMFSA-N	1	0	357.454	1.286	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1	ZINC000818589377	943297899	/nfs/dbraw/zinc/29/78/99/943297899.db2.gz	ZXWPUHJTKXUDPR-UHFFFAOYSA-N	1	0	365.499	1.239	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1	ZINC000818611983	943301991	/nfs/dbraw/zinc/30/19/91/943301991.db2.gz	JTMHPKRQRBNHNE-UHFFFAOYSA-N	1	0	355.460	1.041	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C1CCN(C(=O)[C@@H](C)CSC)CC1	ZINC000818615672	943304383	/nfs/dbraw/zinc/30/43/83/943304383.db2.gz	TZDGDHBJEVQHDJ-HNNXBMFYSA-N	1	0	353.532	1.295	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CNC(=O)c1ccc(Br)s1	ZINC000818603200	943328220	/nfs/dbraw/zinc/32/82/20/943328220.db2.gz	TZVKEDLFDHVQEU-UHFFFAOYSA-N	1	0	372.288	1.312	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)COc1ccc(C=O)cc1Br	ZINC000818602972	943328849	/nfs/dbraw/zinc/32/88/49/943328849.db2.gz	KSIRKVTZXLLITD-UHFFFAOYSA-N	1	0	367.243	1.712	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@@H](C(C)C)n1nnc(-c2ccccc2)n1	ZINC000818606312	943330253	/nfs/dbraw/zinc/33/02/53/943330253.db2.gz	LCYKQKZPSWIICK-QGZVFWFLSA-N	1	0	354.458	1.609	20	30		FDEDRO
COc1ccccc1[C@H](NC[C@@H](O)CN(C)CCC#N)c1nccn1C	ZINC000818946652	943356845	/nfs/dbraw/zinc/35/68/45/943356845.db2.gz	SJAXVXGDSBJZCQ-QAPCUYQASA-N	1	0	357.458	1.314	20	30		FDEDRO
CC(C)(C)OC(=O)NCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000818982141	943370667	/nfs/dbraw/zinc/37/06/67/943370667.db2.gz	GTDFZKIVLPAFLP-UHFFFAOYSA-N	1	0	353.444	1.446	20	30		FDEDRO
O=C(NCC[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)C1N=CC=CC1=O	ZINC000819050299	943395794	/nfs/dbraw/zinc/39/57/94/943395794.db2.gz	REMVZTPTXJPMKQ-PQDJCJPTSA-N	1	0	369.343	1.855	20	30		FDEDRO
Cc1ccc(C)c(OC[C@H](O)C[NH2+]CCNC(=O)C2N=CC=CC2=O)c1C	ZINC000819053787	943396123	/nfs/dbraw/zinc/39/61/23/943396123.db2.gz	KZHDATZVCXBPCR-IGGDJGDASA-N	1	0	373.453	1.468	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCCCN(C(=O)OC(C)(C)C)C1	ZINC000819062320	943426452	/nfs/dbraw/zinc/42/64/52/943426452.db2.gz	WSGSEUSMKPQZNU-HZPDHXFCSA-N	1	0	354.495	1.572	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H](C)c3ncccn3)C2)nn1	ZINC001086825209	943444448	/nfs/dbraw/zinc/44/44/48/943444448.db2.gz	XXBRLJZITQIZSC-OWCLPIDISA-N	1	0	369.473	1.894	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)cc1C#N	ZINC000819182742	943465858	/nfs/dbraw/zinc/46/58/58/943465858.db2.gz	QBNOWTGQWAUSHJ-KRWDZBQOSA-N	1	0	360.435	1.794	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)cc1	ZINC000819234743	943500784	/nfs/dbraw/zinc/50/07/84/943500784.db2.gz	JRVIMBGFMRJJKO-GOSISDBHSA-N	1	0	356.401	1.752	20	30		FDEDRO
CC(C)(C)S(=O)(=O)N1CCC([NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1	ZINC000819263494	943516443	/nfs/dbraw/zinc/51/64/43/943516443.db2.gz	ZPOLCDQWCUEJKP-QGZVFWFLSA-N	1	0	365.499	1.774	20	30		FDEDRO
C#CCN(C)CCC[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1	ZINC000819333970	943530269	/nfs/dbraw/zinc/53/02/69/943530269.db2.gz	AIFWJSAEUFLEBB-HNNXBMFYSA-N	1	0	373.266	1.873	20	30		FDEDRO
COc1ccc(N2CC[NH+](C[C@H](O)CNCC3(C#N)CCC3)CC2)cc1	ZINC000819378293	943564223	/nfs/dbraw/zinc/56/42/23/943564223.db2.gz	YYHRQCZHYZMNPK-GOSISDBHSA-N	1	0	358.486	1.462	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCN2Cc2ccc(OC)cc2)CC1	ZINC000820192914	943944343	/nfs/dbraw/zinc/94/43/43/943944343.db2.gz	GYCAMFLTIVBLOA-FQEVSTJZSA-N	1	0	355.482	1.873	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@]2(Cc3ccccc3)CCN(C)C2=O)CC1	ZINC000820197323	943946099	/nfs/dbraw/zinc/94/60/99/943946099.db2.gz	MTKINKUKXGKVIE-QFIPXVFZSA-N	1	0	367.493	1.682	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1	ZINC000820341488	944009257	/nfs/dbraw/zinc/00/92/57/944009257.db2.gz	DSGCYTQBAKZNER-LJQANCHMSA-N	1	0	360.479	1.651	20	30		FDEDRO
C#C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1)c1ccc(Cl)cc1	ZINC000820553518	944095833	/nfs/dbraw/zinc/09/58/33/944095833.db2.gz	UCQGBMLFRJMACK-ZBFHGGJFSA-N	1	0	363.845	1.761	20	30		FDEDRO
C#C[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)c1ccc(Br)cc1	ZINC000820615303	944120210	/nfs/dbraw/zinc/12/02/10/944120210.db2.gz	BFUJWWNJTMHIJZ-HOCLYGCPSA-N	1	0	368.275	1.735	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(OC)o3)C2)C1=O	ZINC001086837428	944156505	/nfs/dbraw/zinc/15/65/05/944156505.db2.gz	CJEJLQQINMVFSE-ZNMIVQPWSA-N	1	0	361.442	1.563	20	30		FDEDRO
CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)nn1	ZINC001086840714	944293542	/nfs/dbraw/zinc/29/35/42/944293542.db2.gz	SGRCSYIAYMYZQI-QWHCGFSZSA-N	1	0	358.471	1.919	20	30		FDEDRO
C=CCC1(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)CCOCC1	ZINC000821156442	944370367	/nfs/dbraw/zinc/37/03/67/944370367.db2.gz	FBRMHSQNSIHJMP-UHFFFAOYSA-N	1	0	350.459	1.646	20	30		FDEDRO
CON=C(C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1csc(N)n1	ZINC000821365938	944461373	/nfs/dbraw/zinc/46/13/73/944461373.db2.gz	PDTRVSTXGPMNFR-IUODEOHRSA-N	1	0	359.455	1.637	20	30		FDEDRO
CON=C(C(=O)N1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1)c1csc(N)n1	ZINC000821895378	944732942	/nfs/dbraw/zinc/73/29/42/944732942.db2.gz	UVWQTFDMJHCKDD-VXGBXAGGSA-N	1	0	369.516	1.114	20	30		FDEDRO
COC(=O)c1ccc(C(=N)Nc2ccc(C(=O)N3CC[NH2+]CC3)cc2)cc1	ZINC001170988930	945036956	/nfs/dbraw/zinc/03/69/56/945036956.db2.gz	GZPRMGVGIINJBS-UHFFFAOYSA-N	1	0	366.421	1.556	20	30		FDEDRO
C[N@H+](CCc1ccccc1)CC(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC000822551215	945058415	/nfs/dbraw/zinc/05/84/15/945058415.db2.gz	SKJMSKJJLILJMI-UHFFFAOYSA-N	1	0	363.465	1.776	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)C1CCOCC1	ZINC000823185621	945531322	/nfs/dbraw/zinc/53/13/22/945531322.db2.gz	DTKDQUKIEDTSCC-RTBURBONSA-N	1	0	362.518	1.226	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1	ZINC000823282346	945640232	/nfs/dbraw/zinc/64/02/32/945640232.db2.gz	OFXIYUXNBOHREZ-SFHVURJKSA-N	1	0	355.482	1.987	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)NC[C@H]1CCC[N@H+](CC2CC2)C1	ZINC000856478239	971180580	/nfs/dbraw/zinc/18/05/80/971180580.db2.gz	YJPUAYHOKJXKAQ-RAJOGRCSSA-N	1	0	360.458	1.141	20	30		FDEDRO
C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000824298291	946325358	/nfs/dbraw/zinc/32/53/58/946325358.db2.gz	SPOQOJIRWBMXHS-XHSDSOJGSA-N	1	0	367.490	1.513	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1	ZINC001090787826	946620365	/nfs/dbraw/zinc/62/03/65/946620365.db2.gz	AJYNNCJMPSCLLP-RHSMWYFYSA-N	1	0	370.501	1.942	20	30		FDEDRO
C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)CC1	ZINC001573282704	946695829	/nfs/dbraw/zinc/69/58/29/946695829.db2.gz	NFQWYOMJHMXHNN-AWEZNQCLSA-N	1	0	367.457	1.535	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H](C)[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)n1	ZINC001090788480	946695985	/nfs/dbraw/zinc/69/59/85/946695985.db2.gz	SSNQPITVPRNRAH-UKRRQHHQSA-N	1	0	356.474	1.336	20	30		FDEDRO
C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)CC1	ZINC001573282709	946697851	/nfs/dbraw/zinc/69/78/51/946697851.db2.gz	NFQWYOMJHMXHNN-CQSZACIVSA-N	1	0	367.457	1.535	20	30		FDEDRO
C#CCCCCC(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1	ZINC001573283156	946709891	/nfs/dbraw/zinc/70/98/91/946709891.db2.gz	FPOMJHBDKUWJSH-GASCZTMLSA-N	1	0	365.441	1.350	20	30		FDEDRO
C#CCCCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@H]1C	ZINC001573284560	946750939	/nfs/dbraw/zinc/75/09/39/946750939.db2.gz	GIRYAYKMJWPVNG-UKRRQHHQSA-N	1	0	353.430	1.197	20	30		FDEDRO
C#CCCCC(=O)N1CCCC[C@H]1CN(C)c1cc[nH+]cc1-c1nn[nH]n1	ZINC001573284744	946756143	/nfs/dbraw/zinc/75/61/43/946756143.db2.gz	KLJHDMQPBJZEPL-HNNXBMFYSA-N	1	0	367.457	1.883	20	30		FDEDRO
C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cccc(-c2nn[nH]n2)c1	ZINC000824598793	946848029	/nfs/dbraw/zinc/84/80/29/946848029.db2.gz	IWEJAAAWHRPOAT-PTGFTAGUSA-N	1	0	353.386	1.044	20	30		FDEDRO
CCc1noc(C[C@@]2(O)CCC[N@H+](CCOc3cccc(C#N)c3)C2)n1	ZINC000856671531	971296783	/nfs/dbraw/zinc/29/67/83/971296783.db2.gz	MIQFEPKANDPJEM-IBGZPJMESA-N	1	0	356.426	1.952	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H](C)[C@H](C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573292039	946926393	/nfs/dbraw/zinc/92/63/93/946926393.db2.gz	NEBMENQWZQBALQ-IUCAKERBSA-N	1	0	368.239	1.200	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573292209	946928967	/nfs/dbraw/zinc/92/89/67/946928967.db2.gz	PTKMRYFWOMFLLJ-DTWKUNHWSA-N	1	0	368.239	1.200	20	30		FDEDRO
C[C@@H](C#N)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573561688	946964480	/nfs/dbraw/zinc/96/44/80/946964480.db2.gz	MBXNCLBXAPFHHJ-WCQYABFASA-N	1	0	357.393	1.198	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)CC(C)(C)C[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001573561712	946966154	/nfs/dbraw/zinc/96/61/54/946966154.db2.gz	MGGDKVLUYGADQI-CYBMUJFWSA-N	1	0	355.446	1.601	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)C1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1	ZINC001573561728	946966895	/nfs/dbraw/zinc/96/68/95/946966895.db2.gz	MMAAXDWRYNJQIC-PNESKVBLSA-N	1	0	373.486	1.947	20	30		FDEDRO
C[C@H](C#N)C(=O)N(C)C1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1	ZINC001573562345	946975855	/nfs/dbraw/zinc/97/58/55/946975855.db2.gz	SNVVWBQVNZMCIW-GFCCVEGCSA-N	1	0	371.420	1.588	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573565657	947011003	/nfs/dbraw/zinc/01/10/03/947011003.db2.gz	TVZRCHYAQZRZHK-XIKOKIGWSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC(C)([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1	ZINC001573565519	947011513	/nfs/dbraw/zinc/01/15/13/947011513.db2.gz	RNRODCIXZVHCJO-LBPRGKRZSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1	ZINC001573565676	947013100	/nfs/dbraw/zinc/01/31/00/947013100.db2.gz	UDZRTLABYYZWBC-MEDUHNTESA-N	1	0	359.459	1.416	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1	ZINC001573566868	947031715	/nfs/dbraw/zinc/03/17/15/947031715.db2.gz	HBNKZAJZLKWIGY-OLZOCXBDSA-N	1	0	373.486	1.901	20	30		FDEDRO
C=CCCC1(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)Cc3ccccc3)C[C@H]2O)CC1	ZINC001195906307	971317016	/nfs/dbraw/zinc/31/70/16/971317016.db2.gz	WBCDXAJQGKGWMD-IPMKNSEASA-N	1	0	358.482	1.498	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccccc1-c1nn[nH]n1	ZINC001573567365	947044734	/nfs/dbraw/zinc/04/47/34/947044734.db2.gz	MEYXEYAHNPIBNN-KBRIMQKVSA-N	1	0	365.441	1.592	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573568110	947064395	/nfs/dbraw/zinc/06/43/95/947064395.db2.gz	XYWDEHGHBZYVTA-GXTWGEPZSA-N	1	0	371.420	1.494	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[C@H]1C	ZINC001573298563	947075957	/nfs/dbraw/zinc/07/59/57/947075957.db2.gz	PRDFBVJVYLZCJL-ZWNOBZJWSA-N	1	0	363.853	1.635	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21	ZINC001573569809	947078141	/nfs/dbraw/zinc/07/81/41/947078141.db2.gz	FRIAMOHBPPKFPL-IVMMDQJWSA-N	1	0	351.414	1.059	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)CC[C@@H]2C1	ZINC001573569955	947081485	/nfs/dbraw/zinc/08/14/85/947081485.db2.gz	HRGCDDJETCGRLH-XYPHTWIQSA-N	1	0	365.441	1.307	20	30		FDEDRO
C[NH+](C)CCCOC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21	ZINC000825265124	947098346	/nfs/dbraw/zinc/09/83/46/947098346.db2.gz	HMILZJQIPXNWSA-UHFFFAOYSA-N	1	0	353.444	1.000	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1CC12CC[NH+](Cc1ccc(-c3nn[nH]n3)s1)CC2	ZINC001573572020	947106273	/nfs/dbraw/zinc/10/62/73/947106273.db2.gz	CXSSMFMTWBMHQR-BXUZGUMPSA-N	1	0	371.470	1.559	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC1CCC([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1	ZINC001573572222	947110671	/nfs/dbraw/zinc/11/06/71/947110671.db2.gz	FXEIIJORSODMTI-GRTSSRMGSA-N	1	0	353.430	1.543	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(C)(C)C	ZINC001573573008	947116440	/nfs/dbraw/zinc/11/64/40/947116440.db2.gz	KYUCXMSLMSPABN-DOMZBBRYSA-N	1	0	355.446	1.647	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(C)(C)C	ZINC001573575162	947136849	/nfs/dbraw/zinc/13/68/49/947136849.db2.gz	WNPIABXJJRYPMA-GWCFXTLKSA-N	1	0	361.475	1.708	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1	ZINC001573575148	947137277	/nfs/dbraw/zinc/13/72/77/947137277.db2.gz	WJXOXVOAQVAHHO-XJKSGUPXSA-N	1	0	353.430	1.497	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573575393	947138895	/nfs/dbraw/zinc/13/88/95/947138895.db2.gz	YISJVUFWLOCYJR-GTNSWQLSSA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1(C)C	ZINC001573577965	947178364	/nfs/dbraw/zinc/17/83/64/947178364.db2.gz	WKQKQGLKQBYAKI-IUODEOHRSA-N	1	0	353.430	1.353	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1(C)C	ZINC001573577964	947178379	/nfs/dbraw/zinc/17/83/79/947178379.db2.gz	WKQKQGLKQBYAKI-DOMZBBRYSA-N	1	0	353.430	1.353	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CCCCC1	ZINC001573578098	947180948	/nfs/dbraw/zinc/18/09/48/947180948.db2.gz	YIKIETCIYAGWHN-AWEZNQCLSA-N	1	0	367.457	1.935	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCCC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1	ZINC001573583121	947201312	/nfs/dbraw/zinc/20/13/12/947201312.db2.gz	JVTXAKOCWGFDJN-AWEZNQCLSA-N	1	0	367.457	1.745	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@]1(C)CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1	ZINC001573309750	947207166	/nfs/dbraw/zinc/20/71/66/947207166.db2.gz	NXZPDXORHAEJHH-MOPGFXCFSA-N	1	0	370.457	1.274	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001573584165	947212597	/nfs/dbraw/zinc/21/25/97/947212597.db2.gz	QUHNZTNYKMWIEF-GXTWGEPZSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC[C@@H]1CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573584389	947221244	/nfs/dbraw/zinc/22/12/44/947221244.db2.gz	VDUURQBNRBBEGU-CHWSQXEVSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@H](C#N)C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1	ZINC001573584570	947227983	/nfs/dbraw/zinc/22/79/83/947227983.db2.gz	YGYHABSWHQPXMG-YPMHNXCESA-N	1	0	357.393	1.104	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N(C)CCC[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001573310843	947230262	/nfs/dbraw/zinc/23/02/62/947230262.db2.gz	ZWQKARWBWCHTQP-GOSISDBHSA-N	1	0	358.446	1.132	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573584825	947236155	/nfs/dbraw/zinc/23/61/55/947236155.db2.gz	FWUVWPVYNPEFJQ-COPLHBTASA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1	ZINC001573585336	947254878	/nfs/dbraw/zinc/25/48/78/947254878.db2.gz	OUHLAASRIUOOGW-RAIGVLPGSA-N	1	0	359.459	1.605	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@@H](C)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1	ZINC001573585444	947257598	/nfs/dbraw/zinc/25/75/98/947257598.db2.gz	PDQNXIWLPXVLGH-NEPJUHHUSA-N	1	0	373.486	1.805	20	30		FDEDRO
COCC[N@H+](C)CCNC(=O)c1cccc(CNc2ncccc2C#N)c1	ZINC001143621396	947324806	/nfs/dbraw/zinc/32/48/06/947324806.db2.gz	DVTQHFWBHHBKIP-UHFFFAOYSA-N	1	0	367.453	1.873	20	30		FDEDRO
C=CCC(C)(C)C(=O)N(C)[C@@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1	ZINC001573319921	947337683	/nfs/dbraw/zinc/33/76/83/947337683.db2.gz	SSLIATWJSJAYAD-ZDUSSCGKSA-N	1	0	357.462	1.853	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)C[C@H](C)n2ccnc2CC)n1	ZINC000843873238	947357710	/nfs/dbraw/zinc/35/77/10/947357710.db2.gz	WXMCPFDNCAOVAA-INIZCTEOSA-N	1	0	357.458	1.902	20	30		FDEDRO
C=CCC1(C(=O)N(C)CCNc2cc[nH+]cc2-c2nn[nH]n2)CCCC1	ZINC001573326434	947371216	/nfs/dbraw/zinc/37/12/16/947371216.db2.gz	OZQAYZIULGAPGR-UHFFFAOYSA-N	1	0	355.446	1.690	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2[NH2+]C[C@@H](C)O)cc1	ZINC001090868160	947375457	/nfs/dbraw/zinc/37/54/57/947375457.db2.gz	DCHOBWNVMPZMOJ-ZNZDAUKMSA-N	1	0	368.437	1.474	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2nnn(C)c2C)C[C@H]1c1ccc(OC)cc1	ZINC001090866735	947410954	/nfs/dbraw/zinc/41/09/54/947410954.db2.gz	MXXQEGMXHSHVNJ-DLBZAZTESA-N	1	0	355.442	1.516	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CO[C@H]2CCOC2)C[C@H]1c1ccc(OC)cc1	ZINC001090871117	947421505	/nfs/dbraw/zinc/42/15/05/947421505.db2.gz	RZTWPROXAXGKLR-GBESFXJTSA-N	1	0	358.438	1.018	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCNC(=O)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090875335	947490052	/nfs/dbraw/zinc/49/00/52/947490052.db2.gz	OOUYZXKRYZRRGD-WAOWUJCRSA-N	1	0	369.465	1.129	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H]([NH2+]CC=C)C1	ZINC001090874145	947521534	/nfs/dbraw/zinc/52/15/34/947521534.db2.gz	BUGIBOCJBXXMGY-HBMCJLEFSA-N	1	0	367.493	1.863	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H](C)c2ccc(N3CCNC3=O)cc2)CC1	ZINC000843989990	947538049	/nfs/dbraw/zinc/53/80/49/947538049.db2.gz	GFOJYCGWOGPZLD-OAHLLOKOSA-N	1	0	354.454	1.739	20	30		FDEDRO
C=CCOCC(=O)N[C@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)CC1(C)C	ZINC001573342757	947544867	/nfs/dbraw/zinc/54/48/67/947544867.db2.gz	CITMJYVQHMPGFS-INIZCTEOSA-N	1	0	370.457	1.396	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1	ZINC001573348138	947579883	/nfs/dbraw/zinc/57/98/83/947579883.db2.gz	MXEYSUIWNKFMMH-MRXNPFEDSA-N	1	0	370.457	1.540	20	30		FDEDRO
C=CCOCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573348625	947586427	/nfs/dbraw/zinc/58/64/27/947586427.db2.gz	SKRJBOAPJGEIGA-HIFRSBDPSA-N	1	0	373.461	1.276	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cn2ccc(C)n2)C[C@H]1c1ccc(OC)cc1	ZINC001090880689	947593960	/nfs/dbraw/zinc/59/39/60/947593960.db2.gz	FLRQLDLZMRFYER-RBUKOAKNSA-N	1	0	352.438	1.418	20	30		FDEDRO
COc1ccc([C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2NCC#N)cc1	ZINC001090884485	947643038	/nfs/dbraw/zinc/64/30/38/947643038.db2.gz	SRKWABPHWSCAOL-ZWKOTPCHSA-N	1	0	354.454	1.199	20	30		FDEDRO
N#CC[C@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccccc1	ZINC001143776261	947758784	/nfs/dbraw/zinc/75/87/84/947758784.db2.gz	MRCNKHCOASOIHZ-SFHVURJKSA-N	1	0	354.454	1.450	20	30		FDEDRO
CCc1ccccc1[C@H]([NH3+])CNC(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000844198647	947868168	/nfs/dbraw/zinc/86/81/68/947868168.db2.gz	MIXWRFRFSVJNCN-AMGRQBIBSA-N	1	0	356.426	1.282	20	30		FDEDRO
CCC[N@H+](C)CC(=O)N[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@H]1OC	ZINC001090907733	947898668	/nfs/dbraw/zinc/89/86/68/947898668.db2.gz	PXKABRYBVGUHPK-HUUCEWRRSA-N	1	0	365.865	1.268	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1C[C@](C)(CO)[C@](C)(CO)C1)C(C)C	ZINC000636574241	1013080190	/nfs/dbraw/zinc/08/01/90/1013080190.db2.gz	WYZSZVXEYLUUPI-YSIASYRMSA-N	1	0	367.534	1.707	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@H]1OC	ZINC001090905407	947908894	/nfs/dbraw/zinc/90/88/94/947908894.db2.gz	VJEVXQWTAIFTQY-IAGOWNOFSA-N	1	0	359.474	1.313	20	30		FDEDRO
C[N@H+](CCC(=O)NCC(=O)c1ccccc1)C[C@@H](O)c1cccc(C#N)c1	ZINC000844371446	948001003	/nfs/dbraw/zinc/00/10/03/948001003.db2.gz	OIKYKKXGZUHYPM-HXUWFJFHSA-N	1	0	365.433	1.913	20	30		FDEDRO
CN(C[C@H](O)C[N@H+](C)C[C@H](O)c1ccc(C#N)cc1)C(=O)OC(C)(C)C	ZINC000844362329	948013144	/nfs/dbraw/zinc/01/31/44/948013144.db2.gz	YQMGVYQNJHFHFH-SJORKVTESA-N	1	0	363.458	1.751	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1	ZINC000844608172	948210757	/nfs/dbraw/zinc/21/07/57/948210757.db2.gz	DKNKMCPLLXQAPZ-CQSZACIVSA-N	1	0	359.430	1.215	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1Nc1ccncc1C#N	ZINC001090976497	948213417	/nfs/dbraw/zinc/21/34/17/948213417.db2.gz	QRQALUYMGCVYPC-VQIMIIECSA-N	1	0	355.486	1.900	20	30		FDEDRO
C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1Nc1snc(Cl)c1C#N	ZINC001090988737	948247294	/nfs/dbraw/zinc/24/72/94/948247294.db2.gz	HGGQIKVJYMCTRJ-ZYHUDNBSSA-N	1	0	371.894	1.505	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cnccn2)C3)nc1	ZINC001144158417	948301407	/nfs/dbraw/zinc/30/14/07/948301407.db2.gz	FRGYRGHKXXSKHD-HXUWFJFHSA-N	1	0	362.437	1.872	20	30		FDEDRO
C[C@@H](COCC(=O)N1C[C@@H](C)[C@H](Nc2ccc(C#N)nc2)C1)[NH+]1CCCC1	ZINC001091024407	948517373	/nfs/dbraw/zinc/51/73/73/948517373.db2.gz	KXJDFJBCHVMONM-JTDSTZFVSA-N	1	0	371.485	1.713	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ccnc(OC)n2)C1	ZINC001091034545	948559278	/nfs/dbraw/zinc/55/92/78/948559278.db2.gz	MKWVTKBDBXZOMC-BNICSPFPSA-N	1	0	360.458	1.451	20	30		FDEDRO
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NC[C@]1([NH+](C)C)CCSC1	ZINC000845023588	948609957	/nfs/dbraw/zinc/60/99/57/948609957.db2.gz	YHHCBBUKQPDIHL-FUHWJXTLSA-N	1	0	362.499	1.670	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCO[C@@H]2CN(c3snc(C)c3C#N)C[C@@H]21	ZINC001091047156	948611349	/nfs/dbraw/zinc/61/13/49/948611349.db2.gz	XJDCUKDDWSLREJ-LSDHHAIUSA-N	1	0	363.487	1.081	20	30		FDEDRO
CC[C@@H](C(=O)N1CCO[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]21)[NH+](CC)CC	ZINC001091058995	948821371	/nfs/dbraw/zinc/82/13/71/948821371.db2.gz	YLZQIFFDEHWBAZ-OKZBNKHCSA-N	1	0	371.485	1.490	20	30		FDEDRO
CC(=O)N[C@@H](CS)C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1	ZINC001144411192	949029037	/nfs/dbraw/zinc/02/90/37/949029037.db2.gz	XGBRCMMAVBRXNN-INIZCTEOSA-N	1	0	351.472	1.534	20	30		FDEDRO
CC(=O)N[C@@H](CS)C(=O)N1CCC([NH3+])(Cc2cccc(Cl)c2)CC1	ZINC001144415675	949055703	/nfs/dbraw/zinc/05/57/03/949055703.db2.gz	VIOBUJWWQKBFJJ-HNNXBMFYSA-N	1	0	369.918	1.637	20	30		FDEDRO
Cc1cc(N2C[C@@H](NC(=O)CCC[NH+]3CCCCC3)[C@@H](O)C2)c(C#N)cn1	ZINC001091105421	949271355	/nfs/dbraw/zinc/27/13/55/949271355.db2.gz	QBSPBAPZKXDPKJ-MJGOQNOKSA-N	1	0	371.485	1.194	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001573793159	949288607	/nfs/dbraw/zinc/28/86/07/949288607.db2.gz	MWKTUHAFQXNOON-QGZVFWFLSA-N	1	0	366.469	1.997	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1	ZINC001576168427	949637426	/nfs/dbraw/zinc/63/74/26/949637426.db2.gz	UGMAOOSOHQVCPX-ZIAGYGMSSA-N	1	0	367.461	1.619	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)OCc2ccncc2)C1	ZINC001196300351	971615465	/nfs/dbraw/zinc/61/54/65/971615465.db2.gz	SBWNFULZGIVIPN-BHIYHBOVSA-N	1	0	361.486	1.894	20	30		FDEDRO
CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@H](C)C#N	ZINC001574151863	950093203	/nfs/dbraw/zinc/09/32/03/950093203.db2.gz	ZTKFVOQJRCPUMA-CJNGLKHVSA-N	1	0	355.446	1.647	20	30		FDEDRO
C#C[C@H](NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)[C@@H]1CCCO1	ZINC000845957202	950174348	/nfs/dbraw/zinc/17/43/48/950174348.db2.gz	RBFIEMWSGMOXPP-ZNMIVQPWSA-N	1	0	353.463	1.128	20	30		FDEDRO
C[C@H](CNC(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1	ZINC001574982946	950191957	/nfs/dbraw/zinc/19/19/57/950191957.db2.gz	IEGHGKZYURKEKW-SNVBAGLBSA-N	1	0	368.376	1.114	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CCNc1cc[nH+]cc1-c1nn[nH]n1	ZINC001570967845	950230764	/nfs/dbraw/zinc/23/07/64/950230764.db2.gz	SPNBGDWUNYIELI-QWHCGFSZSA-N	1	0	354.418	1.026	20	30		FDEDRO
C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@H+](C)Cc1ccc(C#N)cc1	ZINC001574991483	950407558	/nfs/dbraw/zinc/40/75/58/950407558.db2.gz	MJXHYTOAKCQWPD-LBPRGKRZSA-N	1	0	364.413	1.317	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc(Cl)c(F)c2)C1	ZINC001196400196	971663411	/nfs/dbraw/zinc/66/34/11/971663411.db2.gz	OQCSFKVMIIUMSU-HZPDHXFCSA-N	1	0	356.825	1.386	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(CC[NH2+]C[C@@H](O)CC(C)(C)C#N)CC1	ZINC000857235965	971664800	/nfs/dbraw/zinc/66/48/00/971664800.db2.gz	VSWOGLSQRTXAIV-HNNXBMFYSA-N	1	0	354.495	1.429	20	30		FDEDRO
C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C#CC1CC1	ZINC001574520096	950713399	/nfs/dbraw/zinc/71/33/99/950713399.db2.gz	LOALBDWJKOQZGK-CHWSQXEVSA-N	1	0	370.432	1.792	20	30		FDEDRO
N#Cc1ncccc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1	ZINC000846234176	950758083	/nfs/dbraw/zinc/75/80/83/950758083.db2.gz	BJDXHJAYHVPUOA-CFVMTHIKSA-N	1	0	350.444	1.003	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2c3ccccc3CC2=O)C1	ZINC001196422065	971689624	/nfs/dbraw/zinc/68/96/24/971689624.db2.gz	UUQXZUXEHZOSIO-QGPMSJSTSA-N	1	0	357.454	1.092	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1	ZINC000846319724	950915991	/nfs/dbraw/zinc/91/59/91/950915991.db2.gz	OQYGZFDEYQWPDA-NJSLBKSFSA-N	1	0	356.426	1.503	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1	ZINC000846318326	950916027	/nfs/dbraw/zinc/91/60/27/950916027.db2.gz	FIYWFECXNFZKSR-JZXOWHBKSA-N	1	0	355.438	1.351	20	30		FDEDRO
CCC[N@H+](C)CCC(=O)N1CC[C@H]2CCN(c3nccnc3C#N)[C@H]2C1	ZINC001091216882	950939426	/nfs/dbraw/zinc/93/94/26/950939426.db2.gz	VWHJLGUJZNXFTM-RDJZCZTQSA-N	1	0	356.474	1.507	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N1CC[C@H]2CCN(c3nccnc3C#N)[C@H]2C1	ZINC001091216375	950997993	/nfs/dbraw/zinc/99/79/93/950997993.db2.gz	HHQMGLUMDZJTCG-RDJZCZTQSA-N	1	0	356.474	1.507	20	30		FDEDRO
Cc1cc(C#N)nc(N2CC[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)C[C@@H]32)n1	ZINC001091226044	951096736	/nfs/dbraw/zinc/09/67/36/951096736.db2.gz	IOKJHNAIAUDZRN-RDJZCZTQSA-N	1	0	368.485	1.426	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)C2	ZINC001571005242	951169194	/nfs/dbraw/zinc/16/91/94/951169194.db2.gz	UIPBFWCGTHBEPV-SRVKXCTJSA-N	1	0	361.837	1.530	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(C#N)n1)[NH+]1CCCC1	ZINC001091263098	951270671	/nfs/dbraw/zinc/27/06/71/951270671.db2.gz	VFRZQXCVKRRVJN-MDZRGWNJSA-N	1	0	370.501	1.730	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC([NH2+]CCc2cnn(CC)c2)C1	ZINC001091277803	951292310	/nfs/dbraw/zinc/29/23/10/951292310.db2.gz	DQKJNFMTOMZQRJ-BTRQGYIVSA-N	1	0	360.502	1.911	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1	ZINC000846732350	951506294	/nfs/dbraw/zinc/50/62/94/951506294.db2.gz	BRLHGDHVIRWYKW-MSOLQXFVSA-N	1	0	372.469	1.041	20	30		FDEDRO
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)NCCCC[N@H+](C)C1CC1	ZINC000846742435	951549420	/nfs/dbraw/zinc/54/94/20/951549420.db2.gz	YVOYZCJAWYWWDD-SFHVURJKSA-N	1	0	372.469	1.041	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@H]3OCC[C@H]3CC)c2)C1	ZINC001091401404	951574021	/nfs/dbraw/zinc/57/40/21/951574021.db2.gz	YKGBOYOHOPSLKO-AHRSYUTCSA-N	1	0	371.481	1.989	20	30		FDEDRO
C#CCC[N@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@@H]3CCO[C@H]3C=C)c2)C1	ZINC001091406248	951602672	/nfs/dbraw/zinc/60/26/72/951602672.db2.gz	QJTJYRAQGFXOTB-ZCNNSNEGSA-N	1	0	369.465	1.765	20	30		FDEDRO
C#C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)C1	ZINC000847027364	951777912	/nfs/dbraw/zinc/77/79/12/951777912.db2.gz	AODMVMGQUIVFPH-QLFBSQMISA-N	1	0	363.483	1.245	20	30		FDEDRO
C#C[C@H]1CCCN([C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)C1	ZINC000847032383	951782163	/nfs/dbraw/zinc/78/21/63/951782163.db2.gz	WWEPCDYXPNNGIH-NEPJUHHUSA-N	1	0	367.371	1.892	20	30		FDEDRO
C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1	ZINC001575093799	951800658	/nfs/dbraw/zinc/80/06/58/951800658.db2.gz	KSDSUBXLTWOWMV-GFCCVEGCSA-N	1	0	364.413	1.222	20	30		FDEDRO
C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1	ZINC001575101092	951854457	/nfs/dbraw/zinc/85/44/57/951854457.db2.gz	ZHSMMXXBUWAJTM-SNVBAGLBSA-N	1	0	370.442	1.284	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@H]3CCOC3)C[C@H]1C[N@H+](CC#Cc1ccc(F)cc1)C2	ZINC001091528570	951946223	/nfs/dbraw/zinc/94/62/23/951946223.db2.gz	KHZFFADUCGKWCB-OPYAIIAOSA-N	1	0	356.441	1.994	20	30		FDEDRO
CNC(=O)c1cccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@]3(C)C2)c1	ZINC001091544454	951983856	/nfs/dbraw/zinc/98/38/56/951983856.db2.gz	AJLUQPZOFDBVLR-NQYLQCIDSA-N	1	0	354.454	1.486	20	30		FDEDRO
N#CC1(Nc2ccc(CC(N)=O)nn2)CC[NH+](Cc2ccccc2)CC1	ZINC001171274367	951987777	/nfs/dbraw/zinc/98/77/77/951987777.db2.gz	DBMNMLJCTMOHPT-UHFFFAOYSA-N	1	0	350.426	1.475	20	30		FDEDRO
N#CC1(Nc2ncc3c(n2)NC(=O)CO3)CC[NH+](Cc2ccccc2)CC1	ZINC001171275454	951996565	/nfs/dbraw/zinc/99/65/65/951996565.db2.gz	WGKMTTHMMYFQGO-UHFFFAOYSA-N	1	0	364.409	1.778	20	30		FDEDRO
C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCC([NH3+])(CCOC)CC1	ZINC001146228516	952004556	/nfs/dbraw/zinc/00/45/56/952004556.db2.gz	XCNUKPDXMJZFJX-AUUYWEPGSA-N	1	0	367.490	1.812	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)CCc4ccoc4)C[C@]3(C)C2)C1=O	ZINC001091586066	952164143	/nfs/dbraw/zinc/16/41/43/952164143.db2.gz	YQARREZJGFZANH-OPYAIIAOSA-N	1	0	371.481	1.779	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC(C)([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC1	ZINC001571084501	952189960	/nfs/dbraw/zinc/18/99/60/952189960.db2.gz	IHLVLBDAUGISMR-GFCCVEGCSA-N	1	0	371.420	1.636	20	30		FDEDRO
C[C@]12CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]1C[N@H+](CC(=O)NC1CCCC1)C2	ZINC001091606101	952246042	/nfs/dbraw/zinc/24/60/42/952246042.db2.gz	HRLDOEMVFCWATD-VLIAUNLRSA-N	1	0	369.469	1.339	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(C#N)n2)C1	ZINC001091609559	952275728	/nfs/dbraw/zinc/27/57/28/952275728.db2.gz	TUIYCMUJQLGMCY-RRFJBIMHSA-N	1	0	362.453	1.147	20	30		FDEDRO
N#CC1(CCC[N@@H+]2CCc3c(sc(N)c3-c3nn[nH]n3)C2)CCOCC1	ZINC001571110905	952439616	/nfs/dbraw/zinc/43/96/16/952439616.db2.gz	ZDFYJVBQXRQWJU-UHFFFAOYSA-N	1	0	373.486	1.969	20	30		FDEDRO
CCn1nncc1C(=O)N1C[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@]2(C)C1	ZINC001091651912	952502562	/nfs/dbraw/zinc/50/25/62/952502562.db2.gz	VWNOYUMDSLTOTK-XLIONFOSSA-N	1	0	364.453	1.764	20	30		FDEDRO
C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1C[N@H+](C[C@@H](O)Cc1ccc(F)cc1)C2	ZINC001091659558	952519631	/nfs/dbraw/zinc/51/96/31/952519631.db2.gz	OYCVSEPNVQIHJB-CBQOVEMMSA-N	1	0	370.468	1.923	20	30		FDEDRO
Cc1cc2ncc([C@@H](C)[NH2+]CCNC(=O)C3N=CC=CC3=O)c(C)n2n1	ZINC000772984055	952524050	/nfs/dbraw/zinc/52/40/50/952524050.db2.gz	MEOYMIHOMXDXBK-PFFGMESJSA-N	1	0	354.414	1.523	20	30		FDEDRO
CC[NH+](CC)CCCNC(=S)Nc1c(C#N)cnc2c(C#N)cnn21	ZINC001196656046	971843058	/nfs/dbraw/zinc/84/30/58/971843058.db2.gz	MOAXQBNUICXJBP-UHFFFAOYSA-N	1	0	356.459	1.491	20	30		FDEDRO
C[C@@H]1CCN(C(=O)COCC[NH+](C)C)[C@H](CNc2ccc(C#N)nc2)C1	ZINC001091686689	952641540	/nfs/dbraw/zinc/64/15/40/952641540.db2.gz	KTNBFMZTAIQDEM-QAPCUYQASA-N	1	0	359.474	1.570	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3ncccc3C)C[C@@]2(C)C1	ZINC001091748162	952793064	/nfs/dbraw/zinc/79/30/64/952793064.db2.gz	CXKOXMOTGRKOOL-CBQOVEMMSA-N	1	0	366.509	1.768	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN3c3ncccn3)C[C@]2(C)C1	ZINC001091755261	952818774	/nfs/dbraw/zinc/81/87/74/952818774.db2.gz	JGWKDGRGLAGSEZ-HLIPFELVSA-N	1	0	353.470	1.249	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@H]3CCc4ncnn43)C2)cn1	ZINC001086857394	952875095	/nfs/dbraw/zinc/87/50/95/952875095.db2.gz	APCCITDZRPEPLI-BMGDILEWSA-N	1	0	364.453	1.330	20	30		FDEDRO
CN1C(=O)CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC001086866278	952897771	/nfs/dbraw/zinc/89/77/71/952897771.db2.gz	DIKUTFOCVWRTRR-OTWHNJEPSA-N	1	0	368.481	1.944	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cccc(-n3cnnn3)c2)C1	ZINC001086872977	952922212	/nfs/dbraw/zinc/92/22/12/952922212.db2.gz	JMTDXUNNEDWHKW-DZGCQCFKSA-N	1	0	360.849	1.903	20	30		FDEDRO
N#Cc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C(N)=O)c3)C2)c1	ZINC001086876204	952927852	/nfs/dbraw/zinc/92/78/52/952927852.db2.gz	DSRYBBXXXCZCQY-DOTOQJQBSA-N	1	0	365.437	1.674	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2c(OC)ncnc2OC)C1	ZINC001086888151	952942244	/nfs/dbraw/zinc/94/22/44/952942244.db2.gz	JWMKWIRBMOHXCW-NWDGAFQWSA-N	1	0	354.838	1.734	20	30		FDEDRO
CO[C@H](C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001086969416	952969268	/nfs/dbraw/zinc/96/92/68/952969268.db2.gz	RAZDXRYSDCGVLS-MDASCCDHSA-N	1	0	367.453	1.411	20	30		FDEDRO
COc1ccnc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2c2cnn(C)c2)c1	ZINC001086970815	952972492	/nfs/dbraw/zinc/97/24/92/952972492.db2.gz	IVQVULIBTMHEQJ-DOPJRALCSA-N	1	0	368.441	1.068	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCc2cccs2)C1	ZINC001086971284	952973960	/nfs/dbraw/zinc/97/39/60/952973960.db2.gz	HCWLVOLDOVTINW-XOKHGSTOSA-N	1	0	357.483	1.768	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccc(CO)cc2)C1	ZINC001086971517	952974377	/nfs/dbraw/zinc/97/43/77/952974377.db2.gz	RDGUIBGEAQRIOT-MDASCCDHSA-N	1	0	367.453	1.156	20	30		FDEDRO
Cn1cc([C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2[NH2+]CCC2CC2)cn1	ZINC001086975605	952985402	/nfs/dbraw/zinc/98/54/02/952985402.db2.gz	VVVITNSKLYXFNC-ZWKOTPCHSA-N	1	0	352.442	1.618	20	30		FDEDRO
Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2c2cnn(C)c2)cn1	ZINC001086978404	952990537	/nfs/dbraw/zinc/99/05/37/952990537.db2.gz	VEUKPPQOHLUFNZ-RBUKOAKNSA-N	1	0	364.453	1.016	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)COc2cc(C)ccc2F)C[C@H]1c1cnn(C)c1	ZINC001086979344	952992508	/nfs/dbraw/zinc/99/25/08/952992508.db2.gz	VZRPCIUJCPQLRU-FUHWJXTLSA-N	1	0	370.428	1.464	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cncc3nc[nH]c32)C[C@H]1c1cnn(C)c1	ZINC001086979544	952993188	/nfs/dbraw/zinc/99/31/88/952993188.db2.gz	FYFCYVRLLHQIEC-DOTOQJQBSA-N	1	0	365.441	1.465	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2nccc3ccsc32)C[C@H]1c1cnn(C)c1	ZINC001086983599	952997676	/nfs/dbraw/zinc/99/76/76/952997676.db2.gz	YQTXRXQCKOYKCD-JKSUJKDBSA-N	1	0	365.462	1.861	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)n([C@@H](C)CC)n2)C[C@H]1c1cnn(C)c1	ZINC001086985661	953003287	/nfs/dbraw/zinc/00/32/87/953003287.db2.gz	XJRFOQXIHJWTTO-UCLAIMLFSA-N	1	0	368.485	1.727	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2snnc2CC)C[C@H]1c1cnn(C)c1	ZINC001086986536	953006959	/nfs/dbraw/zinc/00/69/59/953006959.db2.gz	UREUQKNBTUFIPV-DZGCQCFKSA-N	1	0	360.487	1.608	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cncc(OC(C)C)c2)C[C@H]1c1cnn(C)c1	ZINC001086990568	953017907	/nfs/dbraw/zinc/01/79/07/953017907.db2.gz	JPAWBHZTVVPCHY-RBUKOAKNSA-N	1	0	369.469	1.986	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3ncccc3c2)C[C@H]1c1cnn(C)c1	ZINC001086994357	953029018	/nfs/dbraw/zinc/02/90/18/953029018.db2.gz	WRZDVNJDPCZSRM-AZUAARDMSA-N	1	0	359.433	1.799	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2nn(C)cc2Cl)C[C@H]1c1cnn(C)c1	ZINC001086980681	953030265	/nfs/dbraw/zinc/03/02/65/953030265.db2.gz	PIKRLLGDQIEVSE-DZGCQCFKSA-N	1	0	362.865	1.581	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(=O)[nH]c(C3CC3)c2)C[C@H]1c1cnn(C)c1	ZINC001086982068	953034527	/nfs/dbraw/zinc/03/45/27/953034527.db2.gz	RTAHLJJSOHOAIY-FUHWJXTLSA-N	1	0	367.453	1.782	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCC3CC3)C2)c1	ZINC001086995958	953035784	/nfs/dbraw/zinc/03/57/84/953035784.db2.gz	GBQCWGZFDOBFCO-VQTJNVASSA-N	1	0	363.465	1.794	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC(=C)C)NC(C)=O)C1	ZINC001196692217	971891688	/nfs/dbraw/zinc/89/16/88/971891688.db2.gz	ZGBNVSLVOYNYRJ-RCCFBDPRSA-N	1	0	351.491	1.365	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc(C(C)C)nc2C)C[C@H]1c1cnn(C)c1	ZINC001087000852	953052815	/nfs/dbraw/zinc/05/28/15/953052815.db2.gz	QXDIGKGDSDDKJF-ZWKOTPCHSA-N	1	0	366.469	1.473	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCO[C@H]2C(=C)C)C[C@H]1c1cnn(C)c1	ZINC001087001530	953055420	/nfs/dbraw/zinc/05/54/20/953055420.db2.gz	ZXQOTTMNLNWVLC-OKYOBFRVSA-N	1	0	358.486	1.861	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2c(C)noc2Cl)C[C@H]1c1cnn(C)c1	ZINC001087001581	953055672	/nfs/dbraw/zinc/05/56/72/953055672.db2.gz	BGTUZPNUIRDLOS-LSDHHAIUSA-N	1	0	361.833	1.130	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)c2c(C)noc2C)C[C@H]1c1cnn(C)c1	ZINC001087002424	953057990	/nfs/dbraw/zinc/05/79/90/953057990.db2.gz	YXABRMIAKVQEFM-FGTMMUONSA-N	1	0	369.469	1.736	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2snnc2C(C)C)C[C@H]1c1cnn(C)c1	ZINC001087003170	953059061	/nfs/dbraw/zinc/05/90/61/953059061.db2.gz	IFLVTXZIKAYGAF-UONOGXRCSA-N	1	0	358.471	1.226	20	30		FDEDRO
CCn1nccc1[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(OC)c(C#N)c1	ZINC000849366610	953060945	/nfs/dbraw/zinc/06/09/45/953060945.db2.gz	PSAXTBSCSRBQJO-BEFAXECRSA-N	1	0	353.426	1.893	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnn(CC(C)C)c2C)C[C@H]1c1cnn(C)c1	ZINC001087007848	953093965	/nfs/dbraw/zinc/09/39/65/953093965.db2.gz	ZNBSWQPWSZRQFX-RBUKOAKNSA-N	1	0	368.485	1.412	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2cncn2C)C[C@H]1c1cnn(C)c1	ZINC001087008301	953095296	/nfs/dbraw/zinc/09/52/96/953095296.db2.gz	YLXXIGHNDLYVQF-ZWKOTPCHSA-N	1	0	356.474	1.247	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c(C)n[nH]c2C)C[C@H]1c1cnn(C)c1	ZINC001087010011	953099987	/nfs/dbraw/zinc/09/99/87/953099987.db2.gz	HZJOKPVZBWKQCG-FASAQXTFSA-N	1	0	370.501	1.709	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087033854	953136161	/nfs/dbraw/zinc/13/61/61/953136161.db2.gz	FELJOXBVXLWSTN-IEBWSBKVSA-N	1	0	367.453	1.559	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1ccncc1Cl	ZINC001087035639	953145590	/nfs/dbraw/zinc/14/55/90/953145590.db2.gz	IIXAHCFPXYVIAB-XNRPHZJLSA-N	1	0	350.850	1.848	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1ncnn1CC(C)C	ZINC001087035691	953145659	/nfs/dbraw/zinc/14/56/59/953145659.db2.gz	JYPKIFQQTGVWRH-BZUAXINKSA-N	1	0	362.478	1.047	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1cc(CO)ccc1F	ZINC001087035994	953146237	/nfs/dbraw/zinc/14/62/37/953146237.db2.gz	USJLVJOTFIWMQH-MZMPZRCHSA-N	1	0	363.433	1.431	20	30		FDEDRO
CCOc1cccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2OCC)n1	ZINC001087035908	953146306	/nfs/dbraw/zinc/14/63/06/953146306.db2.gz	QVBSBZHPOZZWLF-ZMSDIMECSA-N	1	0	360.458	1.593	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1conc1C	ZINC001087040267	953157274	/nfs/dbraw/zinc/15/72/74/953157274.db2.gz	ZNVQUOAHEFICDB-RHSMWYFYSA-N	1	0	357.414	1.450	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1nccc(C)n1	ZINC001087045518	953170924	/nfs/dbraw/zinc/17/09/24/953170924.db2.gz	LEFLOPYPJIFWOG-NVXWUHKLSA-N	1	0	368.441	1.252	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1ccnc(OC)c1	ZINC001087052953	953184358	/nfs/dbraw/zinc/18/43/58/953184358.db2.gz	RYHBVWIQGTVXNU-QZTJIDSGSA-N	1	0	357.454	1.457	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+][C@H](C)c1nnc(C)[nH]1	ZINC001087047194	953195813	/nfs/dbraw/zinc/19/58/13/953195813.db2.gz	XWFFNTZMGXPQFO-DJSGYFEHSA-N	1	0	371.445	1.141	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H]2CCCNC2=O)[C@H](OCC)C1	ZINC001087071529	953225993	/nfs/dbraw/zinc/22/59/93/953225993.db2.gz	UQTAQNSAKDCFNW-BZUAXINKSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H]2CCN(CC)C2=O)[C@H](OCC)C1	ZINC001087072013	953226565	/nfs/dbraw/zinc/22/65/65/953226565.db2.gz	NWODNUWBRLXJFM-IXDOHACOSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CCF)[C@H](OCC)C1	ZINC001087072551	953227016	/nfs/dbraw/zinc/22/70/16/953227016.db2.gz	MKOLKQUNJCWEEV-HUUCEWRRSA-N	1	0	367.469	1.413	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]C[C@@H]3CCCOC3)[C@H](OCC)C2)nc1	ZINC001087097339	953284377	/nfs/dbraw/zinc/28/43/77/953284377.db2.gz	KRPPEVICHQOELX-NLWGTHIKSA-N	1	0	371.481	1.556	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H]2CC)n1	ZINC001091788598	953308439	/nfs/dbraw/zinc/30/84/39/953308439.db2.gz	TVFSUUDELWWALG-JKSUJKDBSA-N	1	0	358.490	1.724	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)COCC[NH+](C)C)CCN1c1nc(C)ccc1C#N	ZINC001091793341	953316409	/nfs/dbraw/zinc/31/64/09/953316409.db2.gz	OMKNENZRKXSCNZ-DLBZAZTESA-N	1	0	359.474	1.313	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@H]3CCC(=O)NC3)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001091809318	953341755	/nfs/dbraw/zinc/34/17/55/953341755.db2.gz	BKXFYWVKZGETJW-OPYAIIAOSA-N	1	0	366.465	1.365	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3cccc(OC)c32)C1	ZINC001196773790	971925984	/nfs/dbraw/zinc/92/59/84/971925984.db2.gz	ZBULELRBQTWHDL-GVDBMIGSSA-N	1	0	360.454	1.089	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccn(C(C)(C)C)c2=O)C1	ZINC001196781428	971930364	/nfs/dbraw/zinc/93/03/64/971930364.db2.gz	SXYCNJNGIPFIJW-USXIJHARSA-N	1	0	361.486	1.733	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N1C[C@H]2CCN(c3cncc(C#N)n3)C[C@H]2C1	ZINC001091856957	953566562	/nfs/dbraw/zinc/56/65/62/953566562.db2.gz	RAWBFCNCZCAFEG-CVEARBPZSA-N	1	0	356.474	1.365	20	30		FDEDRO
Cc1cc(C#N)nc(N2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@@H]3C2)n1	ZINC001091868417	953619127	/nfs/dbraw/zinc/61/91/27/953619127.db2.gz	OVFRWJAXLYEBEC-CVEARBPZSA-N	1	0	356.474	1.283	20	30		FDEDRO
CC[C@H](C(=O)N1C[C@H]2CCN(c3ccnc(C#N)n3)C[C@H]2C1)[NH+](CC)CC	ZINC001091870386	953626114	/nfs/dbraw/zinc/62/61/14/953626114.db2.gz	PEGXAGLQMWTFNK-IXDOHACOSA-N	1	0	370.501	1.753	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)Cn3nc(C)c4cccnc43)C[C@]2(C)C1	ZINC001091873929	953637593	/nfs/dbraw/zinc/63/75/93/953637593.db2.gz	UWBYFKSCPRKQBE-UZLBHIALSA-N	1	0	351.454	1.543	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)C3CCN(C(=O)C(C)C)CC3)C[C@]2(C)C1	ZINC001091903018	953663206	/nfs/dbraw/zinc/66/32/06/953663206.db2.gz	QCVVSQWKPQMEAY-NQIIRXRSSA-N	1	0	359.514	1.685	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+]([C@H]4CCN(C)C4=O)C[C@@]3(C)C2)cc1	ZINC001091907399	953685451	/nfs/dbraw/zinc/68/54/51/953685451.db2.gz	VMZFUGDVHRKUER-LQWHRVPQSA-N	1	0	351.450	1.293	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3CCNC3=O)C[C@H]1C[N@H+](Cc1cc(C#N)ccc1F)C2	ZINC001091910746	953696687	/nfs/dbraw/zinc/69/66/87/953696687.db2.gz	GOWOLMAJBXUIFR-GUXCAODWSA-N	1	0	370.428	1.114	20	30		FDEDRO
C[C@]12CN(C(=O)[C@H]3CCNC3=O)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1F)C2	ZINC001091910782	953697213	/nfs/dbraw/zinc/69/72/13/953697213.db2.gz	HNGGWQUNXVNZNU-GUXCAODWSA-N	1	0	370.428	1.114	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@]3(F)CCOC3)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001091951256	953827679	/nfs/dbraw/zinc/82/76/79/953827679.db2.gz	QWYDPKCMIOIGLG-YZGWKJHDSA-N	1	0	357.429	1.967	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCN(CC(F)(F)F)C3)C[C@]2(C)C1	ZINC001091956663	953848370	/nfs/dbraw/zinc/84/83/70/953848370.db2.gz	JXRHDASQXKIERL-UXLLHSPISA-N	1	0	357.420	1.674	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCN(CC(F)(F)F)C3)C[C@]2(C)C1	ZINC001091956662	953849102	/nfs/dbraw/zinc/84/91/02/953849102.db2.gz	JXRHDASQXKIERL-INMHGKMJSA-N	1	0	357.420	1.674	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)CC2CCCC2)C1	ZINC001196924435	971972480	/nfs/dbraw/zinc/97/24/80/971972480.db2.gz	BASZHRZGSZDSJY-USXIJHARSA-N	1	0	351.491	1.199	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCCc3ccccc32)C1	ZINC001196924705	971972564	/nfs/dbraw/zinc/97/25/64/971972564.db2.gz	FDKSPLAPQUASER-SBHAEUEKSA-N	1	0	358.482	1.645	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)CC2CCCC2)C1	ZINC001196924459	971972619	/nfs/dbraw/zinc/97/26/19/971972619.db2.gz	BECFCKQCIOBEKI-DJIMGWMZSA-N	1	0	351.491	1.199	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3C[N@@H+](Cc4cnc(C)cn4)C[C@@]3(C)C2)c1	ZINC001091997937	953918150	/nfs/dbraw/zinc/91/81/50/953918150.db2.gz	QYZAZHSNUHUYAX-NQIIRXRSSA-N	1	0	361.449	1.755	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CCN1c1ccc(C#N)nc1	ZINC001092005234	953942355	/nfs/dbraw/zinc/94/23/55/953942355.db2.gz	ZZSHBCSAEOQSPL-KDOFPFPSSA-N	1	0	357.458	1.147	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1	ZINC001091980276	953979240	/nfs/dbraw/zinc/97/92/40/953979240.db2.gz	ALMQLDUILZAFDI-XPGWFJOJSA-N	1	0	361.486	1.518	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)CN3c4ccccc4CC3=O)C[C@]2(C)C1	ZINC001092047859	953989276	/nfs/dbraw/zinc/98/92/76/953989276.db2.gz	UVAPCCVELGIYQI-UTKZUKDTSA-N	1	0	353.466	1.932	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3C[N@@H+](Cc4cnoc4C)C[C@@]3(C)C2)nn1	ZINC001092079419	954225595	/nfs/dbraw/zinc/22/55/95/954225595.db2.gz	PYHNSGGDROVCGC-QAPCUYQASA-N	1	0	356.430	1.355	20	30		FDEDRO
Cn1ncc(C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@@]3(C)C2)n1	ZINC001092097283	954286555	/nfs/dbraw/zinc/28/65/55/954286555.db2.gz	PTZIWUCFJIJWOJ-PXAZEXFGSA-N	1	0	356.455	1.342	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C[C@]2(C)C1	ZINC001092197136	954511944	/nfs/dbraw/zinc/51/19/44/954511944.db2.gz	VPPWOPWDSQNDCY-XIKOKIGWSA-N	1	0	362.430	1.257	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]1C[N@H+](Cc1cc(C#N)ccc1F)C2	ZINC001092215016	954544074	/nfs/dbraw/zinc/54/40/74/954544074.db2.gz	FYJAKJLULMOEHO-SYNHAJSKSA-N	1	0	370.428	1.256	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(C(=O)N(C)C)cc3)C[C@]2(C)C1	ZINC001092208345	954610836	/nfs/dbraw/zinc/61/08/36/954610836.db2.gz	ZGOTWGXDJFJMNY-NQIIRXRSSA-N	1	0	353.466	1.806	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)CN3Cc4ccccc4C3=O)C[C@]2(C)C1	ZINC001092210330	954615478	/nfs/dbraw/zinc/61/54/78/954615478.db2.gz	JOPLIXCGRKIGDX-UTKZUKDTSA-N	1	0	353.466	1.999	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+](Cc4cn(C)nc4C)C[C@@]3(C)C2)nc1	ZINC001092211870	954620493	/nfs/dbraw/zinc/62/04/93/954620493.db2.gz	RJDFDKRCTBYGAT-NQIIRXRSSA-N	1	0	363.465	1.699	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(CNC(N)=O)cc3)C[C@]2(C)C1	ZINC001092263649	954624770	/nfs/dbraw/zinc/62/47/70/954624770.db2.gz	TXSUIBYRWIUKMP-XLIONFOSSA-N	1	0	356.470	1.825	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc(-n4cnnn4)cc3)C[C@]2(C)C1	ZINC001092257436	954721116	/nfs/dbraw/zinc/72/11/16/954721116.db2.gz	UTURRDDNBSYLQB-APWZRJJASA-N	1	0	352.442	1.632	20	30		FDEDRO
Cc1ccc(C#N)c(N2C[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)C[C@]3(C)C2)n1	ZINC001092303314	954761858	/nfs/dbraw/zinc/76/18/58/954761858.db2.gz	DYYATHVGOCTOLN-XLIONFOSSA-N	1	0	367.497	1.888	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N2C[C@H]3CN(c4ncccc4C#N)C[C@@]3(C)C2)CC1	ZINC001092303854	954764163	/nfs/dbraw/zinc/76/41/63/954764163.db2.gz	QESKZNIABVNUAX-APWZRJJASA-N	1	0	353.470	1.580	20	30		FDEDRO
CC(C)[N@H+](C)CC(=O)N1C[C@H]2CN(c3ncc(C#N)cc3F)C[C@@]2(C)C1	ZINC001092291555	954887799	/nfs/dbraw/zinc/88/77/99/954887799.db2.gz	BRHBVWNUEUXTSC-HNAYVOBHSA-N	1	0	359.449	1.717	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(=O)CCC)C[C@]2(C)C1	ZINC001092296500	954908305	/nfs/dbraw/zinc/90/83/05/954908305.db2.gz	IZOHOSFIRVLICJ-LQWHRVPQSA-N	1	0	359.514	1.971	20	30		FDEDRO
C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1OC[C@@H]3CCC[C@@H]31)c1nccn12	ZINC001092383457	954980656	/nfs/dbraw/zinc/98/06/56/954980656.db2.gz	GJYWNBGPJFBBJB-LUKYLMHMSA-N	1	0	356.470	1.846	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](CNC(=O)C[C@@H]3CC[N@H+](C)C3)[C@H](C)C2)n1	ZINC001092385403	954984298	/nfs/dbraw/zinc/98/42/98/954984298.db2.gz	XZOUMMHLEOZORZ-VNQPRFMTSA-N	1	0	356.474	1.187	20	30		FDEDRO
C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)c1nccn12	ZINC001092396596	955001470	/nfs/dbraw/zinc/00/14/70/955001470.db2.gz	IVTYWSWODHMKDG-GVDBMIGSSA-N	1	0	366.469	1.568	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C	ZINC001092415714	955146149	/nfs/dbraw/zinc/14/61/49/955146149.db2.gz	BZFHRSKLKIZPGW-ZACQAIPSSA-N	1	0	370.501	1.800	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)c1ccnn1C	ZINC001092499233	955266357	/nfs/dbraw/zinc/26/63/57/955266357.db2.gz	OTLFUKBTTSDJKU-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
C[C@@H]1CN(Cc2cc(F)ccc2C#N)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C	ZINC001092504286	955276786	/nfs/dbraw/zinc/27/67/86/955276786.db2.gz	KILJHMAXZIWSOP-BJZITVGISA-N	1	0	358.461	1.976	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCC[C@@H]2CN(c3ncccn3)C[C@H]2C)CC1	ZINC001092523264	955319454	/nfs/dbraw/zinc/31/94/54/955319454.db2.gz	FKGKZNWQWYMKTI-SJLPKXTDSA-N	1	0	355.486	1.400	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3oc(C)nc3C)[C@H](C)C2)C1=O	ZINC001092523654	955321643	/nfs/dbraw/zinc/32/16/43/955321643.db2.gz	LMIBIOZVVSTOLX-WQVCFCJDSA-N	1	0	360.458	1.376	20	30		FDEDRO
C[C@@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)[C@H](C)C1	ZINC001092546337	955379703	/nfs/dbraw/zinc/37/97/03/955379703.db2.gz	QAIZYAHKDCINTN-QLFBSQMISA-N	1	0	371.485	1.631	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C	ZINC001092548494	955390687	/nfs/dbraw/zinc/39/06/87/955390687.db2.gz	XAOHBBQQGBALRV-JFIYKMOQSA-N	1	0	370.501	1.800	20	30		FDEDRO
COc1ncccc1C[N@H+]1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)[C@H](C)C1	ZINC001092552348	955410155	/nfs/dbraw/zinc/41/01/55/955410155.db2.gz	SZYCGAHTIZERCE-CZUORRHYSA-N	1	0	353.426	1.788	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@H]1COCCN1C	ZINC001092555937	955431583	/nfs/dbraw/zinc/43/15/83/955431583.db2.gz	VWKVWESNTMUGQA-ATZDWAIDSA-N	1	0	356.470	1.073	20	30		FDEDRO
COc1ccnc(C[N@H+]2C[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)c1	ZINC001092530601	955488356	/nfs/dbraw/zinc/48/83/56/955488356.db2.gz	FZDKBWKOCRYHBS-UKRRQHHQSA-N	1	0	353.426	1.788	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cc3n(n2)CCCC3)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC001092531624	955492523	/nfs/dbraw/zinc/49/25/23/955492523.db2.gz	DWEBGEFKJDUFJZ-GDBMZVCRSA-N	1	0	366.469	1.917	20	30		FDEDRO
C[C@@H]1CCC[N@H+]1CC(=O)NCC[C@@H]1CN(c2nccnc2C#N)C[C@H]1C	ZINC001092588573	955560751	/nfs/dbraw/zinc/56/07/51/955560751.db2.gz	XIVFITOMRDMJQV-BZUAXINKSA-N	1	0	356.474	1.411	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CCNC(=O)CC[C@@H]1CCC[N@@H+]1C	ZINC001092598693	955606848	/nfs/dbraw/zinc/60/68/48/955606848.db2.gz	RCUZIPXNSSUURJ-ZACQAIPSSA-N	1	0	370.501	1.801	20	30		FDEDRO
Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C2)n1	ZINC001092580832	955716546	/nfs/dbraw/zinc/71/65/46/955716546.db2.gz	NQWOQHRPZTUHAB-GDBMZVCRSA-N	1	0	358.490	1.577	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)[C@H]1CC(=O)N(C)C1	ZINC001092655590	955911286	/nfs/dbraw/zinc/91/12/86/955911286.db2.gz	SRMYXOWEFYNXHL-BPQIPLTHSA-N	1	0	371.456	1.340	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1CC(=O)N(C)C1	ZINC001092656102	955914300	/nfs/dbraw/zinc/91/43/00/955914300.db2.gz	YCCQJHZSWCXBFV-BHIYHBOVSA-N	1	0	353.466	1.201	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2cccc(OCC(N)=O)c2)[C@H](C)C1	ZINC001092657514	955917824	/nfs/dbraw/zinc/91/78/24/955917824.db2.gz	VZNDLLGGXMLKSY-IUODEOHRSA-N	1	0	365.861	1.601	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(=O)N(CC)CC)C2	ZINC001110134933	955937323	/nfs/dbraw/zinc/93/73/23/955937323.db2.gz	DCRRUPGUZYOHDW-IKGGRYGDSA-N	1	0	351.491	1.559	20	30		FDEDRO
CC[C@@H](C(=O)NC[C@]12CCC[C@H]1N(c1ccc(C#N)nn1)CC2)[NH+](C)C	ZINC001092701499	956094954	/nfs/dbraw/zinc/09/49/54/956094954.db2.gz	DLSBUOVKLDTSFO-FRQCXROJSA-N	1	0	356.474	1.554	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cnccc2C)C[C@H]1C	ZINC001092688822	956193555	/nfs/dbraw/zinc/19/35/55/956193555.db2.gz	BLFWBAVVGPNWAS-RLLQIKCJSA-N	1	0	354.498	1.672	20	30		FDEDRO
C=CCOc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]2C)cc1	ZINC001092741043	956238306	/nfs/dbraw/zinc/23/83/06/956238306.db2.gz	WSGIJFQNGRVGFL-SUMDDJOVSA-N	1	0	371.481	1.828	20	30		FDEDRO
Cc1cc(C#N)nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCCCC2)C3)n1	ZINC001092845093	956479635	/nfs/dbraw/zinc/47/96/35/956479635.db2.gz	QTDXMBUJCWGSMV-SQNIBIBYSA-N	1	0	368.485	1.759	20	30		FDEDRO
CC[NH+](CC)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1)C(C)C	ZINC001092866641	956582856	/nfs/dbraw/zinc/58/28/56/956582856.db2.gz	PCROMRWOTSMQEJ-PASDCYSWSA-N	1	0	370.501	1.941	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)c2cncc(-n3ccnn3)c2)[C@H](C)C1	ZINC001092852456	956683491	/nfs/dbraw/zinc/68/34/91/956683491.db2.gz	JSMYBMMIHRTYTJ-NVXWUHKLSA-N	1	0	354.458	1.926	20	30		FDEDRO
Cc1cc(C#N)nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C3)n1	ZINC001092908394	956744378	/nfs/dbraw/zinc/74/43/78/956744378.db2.gz	LUDMZDQTNHROBB-PMPSAXMXSA-N	1	0	354.458	1.224	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3cnn(C)c3C2)[C@H](C)C1	ZINC001092915334	956770518	/nfs/dbraw/zinc/77/05/18/956770518.db2.gz	LTXXLHASLFLJBU-XNRPHZJLSA-N	1	0	350.894	1.962	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(OC)nn3)C[C@H]2C)c1	ZINC001092952512	956886703	/nfs/dbraw/zinc/88/67/03/956886703.db2.gz	LTQIKSCTBUQCQN-RHSMWYFYSA-N	1	0	365.437	1.359	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[N@@H+](CCO[C@H]3CC3(F)F)C[C@H]2C)c1	ZINC001092952561	956886864	/nfs/dbraw/zinc/88/68/64/956886864.db2.gz	MVGIEGGFSWWHNV-XYPHTWIQSA-N	1	0	363.408	1.785	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[N@H+](Cc3cccnc3OC)C[C@H]2C)c1	ZINC001092953042	956888396	/nfs/dbraw/zinc/88/83/96/956888396.db2.gz	VJHAFRWRMHXDHW-DNVCBOLYSA-N	1	0	364.449	1.964	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1	ZINC001092927400	956932860	/nfs/dbraw/zinc/93/28/60/956932860.db2.gz	ZNRCYRTVZRQLFY-NCOADZHNSA-N	1	0	354.458	1.449	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cccnc2OC)C[C@H]1C	ZINC001092978037	956975476	/nfs/dbraw/zinc/97/54/76/956975476.db2.gz	WPEJDNNPWBQAEU-DDBAPUKQSA-N	1	0	359.470	1.865	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1)[NH+]1CCCC1	ZINC001092981966	956987081	/nfs/dbraw/zinc/98/70/81/956987081.db2.gz	GGFIUCXZSMXXFY-VXNCWWDNSA-N	1	0	368.485	1.695	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)[C@H](C)C1	ZINC001092964384	956996896	/nfs/dbraw/zinc/99/68/96/956996896.db2.gz	ICPSKYBDYIOXJH-ZJPYXAASSA-N	1	0	363.502	1.417	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)cn1	ZINC001093018853	957144846	/nfs/dbraw/zinc/14/48/46/957144846.db2.gz	NAFPJQHYUKOUGV-TWMKSMIVSA-N	1	0	359.449	1.859	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-n3ccnc3)ccn2)C1	ZINC001197433257	972247654	/nfs/dbraw/zinc/24/76/54/972247654.db2.gz	HTYGIDHKOVFBBA-BMGDILEWSA-N	1	0	355.442	1.397	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3cc(C)nc(C)n3)[C@H](C)C2)C1=O	ZINC001093050565	957223896	/nfs/dbraw/zinc/22/38/96/957223896.db2.gz	VOWMIUWNOHZHFF-MZMPZRCHSA-N	1	0	371.485	1.178	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3snnc3C)C[C@H]2C)nn1	ZINC001093034736	957251296	/nfs/dbraw/zinc/25/12/96/957251296.db2.gz	BUYMVXIUYCVOES-DGCLKSJQSA-N	1	0	361.475	1.122	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2C)nn1	ZINC001093034984	957252590	/nfs/dbraw/zinc/25/25/90/957252590.db2.gz	ILNSKNUCAWZXTP-CRAIPNDOSA-N	1	0	364.453	1.834	20	30		FDEDRO
Cn1ccnc1C1(O)CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1	ZINC001197451803	972265416	/nfs/dbraw/zinc/26/54/16/972265416.db2.gz	YVCJSLJHKWVUDX-UHFFFAOYSA-N	1	0	353.426	1.604	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@H]1C	ZINC001093137796	957631383	/nfs/dbraw/zinc/63/13/83/957631383.db2.gz	LABVQLTYOHPHLI-GDBMZVCRSA-N	1	0	368.437	1.888	20	30		FDEDRO
C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2ccc(C(=O)NC)nc2)[C@H](C)C1	ZINC001093138342	957632832	/nfs/dbraw/zinc/63/28/32/957632832.db2.gz	XTXJZCGGPXLKIJ-BXUZGUMPSA-N	1	0	350.850	1.491	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3cc(OC)no3)C[C@H]2C)nc1	ZINC001093140509	957637498	/nfs/dbraw/zinc/63/74/98/957637498.db2.gz	CAJNICQBPQSXLE-UKRRQHHQSA-N	1	0	354.410	1.557	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@H]1C	ZINC001093143631	957642773	/nfs/dbraw/zinc/64/27/73/957642773.db2.gz	UAFBCYWFDWREAF-GDBMZVCRSA-N	1	0	368.437	1.888	20	30		FDEDRO
Cc1cc(C#N)nc(NC[C@]23CCC[C@H]2CN(C(=O)CC[NH+](C)C)C3)n1	ZINC001093129644	957670199	/nfs/dbraw/zinc/67/01/99/957670199.db2.gz	HIZLYLPQQUHPPS-KXBFYZLASA-N	1	0	356.474	1.649	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(=O)n(C)n1	ZINC001093181042	957691319	/nfs/dbraw/zinc/69/13/19/957691319.db2.gz	RRXHDRZAWTZFEO-SJLPKXTDSA-N	1	0	364.449	1.130	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)c1c[nH]c(C(N)=O)c1	ZINC001093198151	957768645	/nfs/dbraw/zinc/76/86/45/957768645.db2.gz	GNUAOLLNFQVIBO-CXAGYDPISA-N	1	0	365.437	1.483	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@@H]1CCCN1C(N)=O	ZINC001093256721	957883822	/nfs/dbraw/zinc/88/38/22/957883822.db2.gz	JFQBUSUWDHRHMW-OLMNPRSZSA-N	1	0	369.469	1.285	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3cc(C)no3)C[C@H]2C)C1=O	ZINC001093272113	957939502	/nfs/dbraw/zinc/93/95/02/957939502.db2.gz	SKBIEELFPMTCNE-BMFZPTHFSA-N	1	0	360.458	1.458	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)c3cnnc(C)c3)C[C@H]2C)C1=O	ZINC001093275342	957945961	/nfs/dbraw/zinc/94/59/61/957945961.db2.gz	ZCASWAUDZWXNQD-KYJSFNMBSA-N	1	0	371.485	1.260	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)C3(CF)CC3)C[C@H]2C)C1=O	ZINC001093285751	957969394	/nfs/dbraw/zinc/96/93/94/957969394.db2.gz	UWLKCUMRPFJBPW-BZUAXINKSA-N	1	0	351.466	1.597	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CC3CCC3)nn2)C1	ZINC001093322641	957997651	/nfs/dbraw/zinc/99/76/51/957997651.db2.gz	OUAUORZXXRTJEQ-MSOLQXFVSA-N	1	0	359.474	1.532	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1	ZINC001093378348	958016828	/nfs/dbraw/zinc/01/68/28/958016828.db2.gz	NJYJRLRFGPNIOC-PMPSAXMXSA-N	1	0	365.905	1.953	20	30		FDEDRO
C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1	ZINC001093378169	958017397	/nfs/dbraw/zinc/01/73/97/958017397.db2.gz	KEAATDIJJXRBBX-BBWFWOEESA-N	1	0	361.486	1.298	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCn3cccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093434057	958061997	/nfs/dbraw/zinc/06/19/97/958061997.db2.gz	LTQPZPKJJIEATG-HNBVOPMISA-N	1	0	360.502	1.815	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn4c(n3)CCC4)[C@@H]2C(C)C)C[C@H]1O	ZINC001093446322	958093707	/nfs/dbraw/zinc/09/37/07/958093707.db2.gz	HAFIJAKQQREEMU-ODZKNYGOSA-N	1	0	356.470	1.042	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccn(CC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093446343	958093952	/nfs/dbraw/zinc/09/39/52/958093952.db2.gz	HHEQBWSXQAUELU-LFGUQSLTSA-N	1	0	360.502	1.598	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc4cc[nH]c4n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093451098	958131481	/nfs/dbraw/zinc/13/14/81/958131481.db2.gz	QYEYCMPBVMTYLH-NEYJZJCJSA-N	1	0	366.465	1.776	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc4n3CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093451738	958135426	/nfs/dbraw/zinc/13/54/26/958135426.db2.gz	XJHRDZIHPXYTIJ-BIJSTVTOSA-N	1	0	356.470	1.042	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C3CCOCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093424118	958177944	/nfs/dbraw/zinc/17/79/44/958177944.db2.gz	QIDCKQYQZCSBMC-SOAMZJECSA-N	1	0	350.503	1.955	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(c4cccnc4)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093459969	958186481	/nfs/dbraw/zinc/18/64/81/958186481.db2.gz	OGAINVMVELMQRW-BNDYYXHWSA-N	1	0	367.493	1.713	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn(CCC)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093464164	958198000	/nfs/dbraw/zinc/19/80/00/958198000.db2.gz	ALRPOUDPDFHUEC-SOAMZJECSA-N	1	0	358.486	1.506	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(CF)CCOCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093464029	958198168	/nfs/dbraw/zinc/19/81/68/958198168.db2.gz	BIFGGDXVGZIIHB-WOCWXWTJSA-N	1	0	368.493	1.905	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(C(F)(F)F)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093464653	958200741	/nfs/dbraw/zinc/20/07/41/958200741.db2.gz	GACCNISVFUFWRQ-NYTXWWLZSA-N	1	0	358.404	1.928	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc4c3OCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093465526	958204196	/nfs/dbraw/zinc/20/41/96/958204196.db2.gz	KBSXFNOVMKRSEA-HROGELHOSA-N	1	0	368.477	1.834	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nccc4[nH]ccc43)[C@H]2C(C)C)C[C@H]1O	ZINC001093466387	958208940	/nfs/dbraw/zinc/20/89/40/958208940.db2.gz	NEFIDNAAOFJWRU-REHHDOPLSA-N	1	0	366.465	1.776	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(C4CC4)no3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093467559	958216223	/nfs/dbraw/zinc/21/62/23/958216223.db2.gz	UPOVDWUXPNNBTR-CIWUYKSXSA-N	1	0	357.454	1.765	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)nn(C)c3F)[C@@H]2C(C)C)C[C@H]1O	ZINC001093471008	958231772	/nfs/dbraw/zinc/23/17/72/958231772.db2.gz	BNMAJINOEXCUAS-NPNMTCQASA-N	1	0	364.465	1.633	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc(OC)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093470981	958231841	/nfs/dbraw/zinc/23/18/41/958231841.db2.gz	AYJJVAHVXZZOOR-WERVVEIQSA-N	1	0	356.466	1.908	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CC=C)C3)[C@H]2C(C)C)nc1	ZINC001093471235	958232677	/nfs/dbraw/zinc/23/26/77/958232677.db2.gz	CKFPXTZZTNFAOZ-ANTGDGSKSA-N	1	0	353.466	1.829	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CC=C)C3)[C@H]2C(C)C)nc1	ZINC001093471238	958232873	/nfs/dbraw/zinc/23/28/73/958232873.db2.gz	CKFPXTZZTNFAOZ-XCJLJZCSSA-N	1	0	353.466	1.829	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3oc(CC)nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093472343	958238265	/nfs/dbraw/zinc/23/82/65/958238265.db2.gz	KIXOXZFIDZJHBA-OHRYMORCSA-N	1	0	359.470	1.758	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH]nc3C3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093472660	958240254	/nfs/dbraw/zinc/24/02/54/958240254.db2.gz	MEEXQJVEIRJEEN-CIWUYKSXSA-N	1	0	356.470	1.500	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccccc3OC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093473469	958244034	/nfs/dbraw/zinc/24/40/34/958244034.db2.gz	ODLKBKUMDBWLPH-VGUOSERISA-N	1	0	356.466	1.908	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COc3cccc(C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093477283	958256814	/nfs/dbraw/zinc/25/68/14/958256814.db2.gz	GQIVGBIXYPAEMT-CZAYHTPWSA-N	1	0	370.493	1.973	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(CCC)n[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093454473	958268272	/nfs/dbraw/zinc/26/82/72/958268272.db2.gz	FMCIXEVHIOJDQO-SOAMZJECSA-N	1	0	358.486	1.575	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(c4cc(C)no4)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093458286	958282914	/nfs/dbraw/zinc/28/29/14/958282914.db2.gz	BWTZJFKEMWJJCU-QQTQMKHKSA-N	1	0	371.481	1.614	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cc(C)nn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093458264	958283380	/nfs/dbraw/zinc/28/33/80/958283380.db2.gz	MRGSSVAVSYNFEC-JYBIWHBTSA-N	1	0	360.502	1.423	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CCO)C3)[C@@H]2C(C)C)cc1	ZINC001093458921	958286811	/nfs/dbraw/zinc/28/68/11/958286811.db2.gz	HXVYOBAQGQVYRD-BNDYYXHWSA-N	1	0	356.466	1.240	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c(C)n[nH]c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093477794	958290970	/nfs/dbraw/zinc/29/09/70/958290970.db2.gz	MVNSUGBRQAXXJM-JYBIWHBTSA-N	1	0	358.486	1.168	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccnc3OCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093478030	958291626	/nfs/dbraw/zinc/29/16/26/958291626.db2.gz	OVRLGFBDIFOOHH-IKVWTGGYSA-N	1	0	371.481	1.693	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH]c4ncccc34)[C@H]2C(C)C)C[C@H]1O	ZINC001093479529	958300126	/nfs/dbraw/zinc/30/01/26/958300126.db2.gz	VAEJTXLVAJDPOM-DCXXXQMHSA-N	1	0	366.465	1.776	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(CC)n(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093479877	958300472	/nfs/dbraw/zinc/30/04/72/958300472.db2.gz	PYGGLEVQHIQCGL-FTEYMNFISA-N	1	0	360.502	1.748	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncnc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001093480839	958304938	/nfs/dbraw/zinc/30/49/38/958304938.db2.gz	PEGLPXBVAIAAFP-FTEYMNFISA-N	1	0	356.470	1.252	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC(=O)NCCCOC)C1	ZINC001197657469	972340415	/nfs/dbraw/zinc/34/04/15/972340415.db2.gz	IISRQNHJFMHMIS-IAGOWNOFSA-N	1	0	371.522	1.051	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001093623190	958375161	/nfs/dbraw/zinc/37/51/61/958375161.db2.gz	PIAOUUPMAYKUDY-RDTXWAMCSA-N	1	0	368.412	1.829	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3cccc(C)n3)C[C@H]2C)C1=O	ZINC001093639468	958406802	/nfs/dbraw/zinc/40/68/02/958406802.db2.gz	BBGGWVDXYJHBTC-OIISXLGYSA-N	1	0	356.470	1.475	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001093666088	958466373	/nfs/dbraw/zinc/46/63/73/958466373.db2.gz	ATAKCICDQGIICT-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001093669829	958476865	/nfs/dbraw/zinc/47/68/65/958476865.db2.gz	NGOSAQBLTYPHCO-RDTXWAMCSA-N	1	0	369.444	1.858	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CC3CCOCC3)C[C@H]2C)C1=O	ZINC001093683196	958491517	/nfs/dbraw/zinc/49/15/17/958491517.db2.gz	KWOXTLFLEDZDQH-KBAYOESNSA-N	1	0	363.502	1.274	20	30		FDEDRO
Cc1c(C(=O)N2C[C@@H](C[NH2+]Cc3cccc(C#N)c3)[C@H](C)C2)nnn1C	ZINC001093688055	958506409	/nfs/dbraw/zinc/50/64/09/958506409.db2.gz	BOLPDQVJLPSWSJ-CXAGYDPISA-N	1	0	352.442	1.493	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2ccn(CC(F)(F)F)n2)[C@H](C)C1	ZINC001093678180	958530125	/nfs/dbraw/zinc/53/01/25/958530125.db2.gz	IYKZBDGNXMVEQU-JHJVBQTASA-N	1	0	357.380	1.789	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2cccc(S(C)(=O)=O)c2)[C@H](C)C1	ZINC001093679578	958534478	/nfs/dbraw/zinc/53/44/78/958534478.db2.gz	XKHLAVXVOMXMJY-SQWLQELKSA-N	1	0	363.483	1.434	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)Cc3ccc(C)o3)C[C@H]2C)C1=O	ZINC001093723530	958602200	/nfs/dbraw/zinc/60/22/00/958602200.db2.gz	SCUODTLLIAKJCA-KYJSFNMBSA-N	1	0	359.470	1.602	20	30		FDEDRO
COc1nscc1C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC001093725204	958604393	/nfs/dbraw/zinc/60/43/93/958604393.db2.gz	BZCFSMHKXTVTHG-DGCLKSJQSA-N	1	0	359.455	1.849	20	30		FDEDRO
CCCc1noc(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)n1	ZINC001093726007	958610389	/nfs/dbraw/zinc/61/03/89/958610389.db2.gz	NNWVJHJQRGBKMD-TZMCWYRMSA-N	1	0	356.430	1.720	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)nn1	ZINC001093725791	958610621	/nfs/dbraw/zinc/61/06/21/958610621.db2.gz	FJXLPGIUCVMLJE-TZMCWYRMSA-N	1	0	354.414	1.183	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1nnnn1C(C)(C)C	ZINC001093725959	958610825	/nfs/dbraw/zinc/61/08/25/958610825.db2.gz	KSQHLZGAXSWFMY-TZMCWYRMSA-N	1	0	370.461	1.126	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093741144	958659015	/nfs/dbraw/zinc/65/90/15/958659015.db2.gz	HIIMQZIQIRJBGT-CRAIPNDOSA-N	1	0	351.454	1.719	20	30		FDEDRO
CC(=O)Nc1nc(C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)cs1	ZINC001093762190	958701169	/nfs/dbraw/zinc/70/11/69/958701169.db2.gz	WAVXXTJZGUZPNT-IUODEOHRSA-N	1	0	360.483	1.699	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001093782256	958765387	/nfs/dbraw/zinc/76/53/87/958765387.db2.gz	CYWZQIORMFVYEO-JPUXWFAOSA-N	1	0	357.429	1.918	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cccc(OC)n2)[C@H](C)C1	ZINC001093833127	958928697	/nfs/dbraw/zinc/92/86/97/958928697.db2.gz	SXJQKTBFAPFFHK-LMMKCTJWSA-N	1	0	370.497	1.372	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001093843185	958958742	/nfs/dbraw/zinc/95/87/42/958958742.db2.gz	APYLEBLEVPDFIM-MLGOLLRUSA-N	1	0	369.400	1.691	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093849609	958974733	/nfs/dbraw/zinc/97/47/33/958974733.db2.gz	NSXRXDMIYBIWRR-CZUORRHYSA-N	1	0	351.410	1.552	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCNC(=O)C2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093860496	959024337	/nfs/dbraw/zinc/02/43/37/959024337.db2.gz	KVOMVFKZPBSBLT-FQELHTAISA-N	1	0	368.481	1.659	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1)S(C)(=O)=O	ZINC001093867005	959045434	/nfs/dbraw/zinc/04/54/34/959045434.db2.gz	HFFYEQCLEUZHDC-JHJVBQTASA-N	1	0	369.512	1.237	20	30		FDEDRO
CCN1CCOC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1	ZINC001093881244	959105315	/nfs/dbraw/zinc/10/53/15/959105315.db2.gz	PFPGZWHGDWBHQG-AHRSYUTCSA-N	1	0	370.497	1.463	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)CN1CCC([NH2+]C2CCOCC2)CC1	ZINC001197739335	972403558	/nfs/dbraw/zinc/40/35/58/972403558.db2.gz	OGLLQQXDVJQMOD-LJQANCHMSA-N	1	0	359.470	1.531	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H]3CCN(CC)C3=O)[C@H](C)C2)cc1	ZINC001093957426	959350362	/nfs/dbraw/zinc/35/03/62/959350362.db2.gz	PTSPLYJFBDZLTN-ATZDWAIDSA-N	1	0	353.466	1.586	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@H](C)c3nnnn3C)[C@H](C)C2)cc1	ZINC001093957965	959353815	/nfs/dbraw/zinc/35/38/15/959353815.db2.gz	YLLHMOQBKXNFQG-CKEIUWERSA-N	1	0	352.442	1.250	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001094008126	959501662	/nfs/dbraw/zinc/50/16/62/959501662.db2.gz	GFJMMPOEMOERGF-IUODEOHRSA-N	1	0	358.417	1.147	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3cnn(CC)n3)[C@H](C)C2)c1	ZINC001094028080	959550388	/nfs/dbraw/zinc/55/03/88/959550388.db2.gz	RBYHWJTYMIESAO-RHSMWYFYSA-N	1	0	352.442	1.172	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C(C)C)o2)[C@H](C)C1	ZINC001094055022	959642639	/nfs/dbraw/zinc/64/26/39/959642639.db2.gz	CNPQPCDGEGBZGZ-FPCVCCKLSA-N	1	0	362.474	1.968	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3ccnnc3)C[C@H]2C)cc1C#N	ZINC001094067330	959685077	/nfs/dbraw/zinc/68/50/77/959685077.db2.gz	DUZZWACDPRATAC-RDTXWAMCSA-N	1	0	365.437	1.855	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+][C@H](C)c3csnn3)[C@H](C)C2)nn1	ZINC001094095523	959772072	/nfs/dbraw/zinc/77/20/72/959772072.db2.gz	SVEAEPDUIRAGCD-JHJVBQTASA-N	1	0	361.475	1.375	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ncc(C)cn3)[C@H](C)C2)nn1	ZINC001094099821	959782693	/nfs/dbraw/zinc/78/26/93/959782693.db2.gz	OWDOOPWINBAGOW-HZPDHXFCSA-N	1	0	369.473	1.451	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3c(C)n[nH]c3C)C[C@H]2C)C1=O	ZINC001094114744	959806503	/nfs/dbraw/zinc/80/65/03/959806503.db2.gz	RPBMCAKOYVZUOR-WQVCFCJDSA-N	1	0	359.474	1.111	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1	ZINC001094119433	959816422	/nfs/dbraw/zinc/81/64/22/959816422.db2.gz	WFLFCSLIWJELBJ-UKRRQHHQSA-N	1	0	354.414	1.205	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3ccnc(C)c3)C[C@H]2C)C1=O	ZINC001094121404	959822564	/nfs/dbraw/zinc/82/25/64/959822564.db2.gz	OJHRGFXTQBZJKL-OLMNPRSZSA-N	1	0	356.470	1.475	20	30		FDEDRO
C=CCN1CC[C@@H](N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCCCC2)C3)C1=O	ZINC001110153629	959832323	/nfs/dbraw/zinc/83/23/23/959832323.db2.gz	DJXWVMMZXWAFOJ-YDZRNGNQSA-N	1	0	374.529	1.371	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1C	ZINC001094132348	959855195	/nfs/dbraw/zinc/85/51/95/959855195.db2.gz	CJTMGTDJBJFWJK-RHSMWYFYSA-N	1	0	367.453	1.717	20	30		FDEDRO
CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ccccc3C#N)[C@H](C)C2)nn1	ZINC001094138285	959874658	/nfs/dbraw/zinc/87/46/58/959874658.db2.gz	GGPKRGHHOHJYKL-RHSMWYFYSA-N	1	0	352.442	1.668	20	30		FDEDRO
C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH2+]Cc3ccccc3C#N)[C@H](C)C2)C1	ZINC001094156556	959927238	/nfs/dbraw/zinc/92/72/38/959927238.db2.gz	YCAAVXROJMMBJJ-FRQCXROJSA-N	1	0	368.481	1.611	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1C	ZINC001094176968	959983331	/nfs/dbraw/zinc/98/33/31/959983331.db2.gz	DSQDMUMOJCDGMK-XYPHTWIQSA-N	1	0	370.453	1.030	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001094223986	960055720	/nfs/dbraw/zinc/05/57/20/960055720.db2.gz	LUPOBGQPSRUXMT-CXAGYDPISA-N	1	0	365.437	1.483	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@]3(CNC(=O)c4ccccn4)CCC[C@@H]23)C1=O	ZINC001094348723	960278908	/nfs/dbraw/zinc/27/89/08/960278908.db2.gz	WXEKLMWCKXCZQE-WAOWUJCRSA-N	1	0	368.481	1.843	20	30		FDEDRO
C#C[C@H](NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCO1	ZINC000775791432	972491958	/nfs/dbraw/zinc/49/19/58/972491958.db2.gz	MJWQKNDVCBLODY-PMACEKPBSA-N	1	0	355.482	1.669	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCc1cn(C2C[NH+](CCCC)C2)nn1	ZINC001094325102	960283672	/nfs/dbraw/zinc/28/36/72/960283672.db2.gz	HYQZTCOEIANOPW-ROUUACIJSA-N	1	0	361.490	1.922	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@@]3(CNC(=O)c4n[nH]cc4C)CCC[C@@H]23)C1=O	ZINC001094410886	960395645	/nfs/dbraw/zinc/39/56/45/960395645.db2.gz	HNOVIRFGMISUPB-RZQQEMMASA-N	1	0	371.485	1.479	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC(=O)N(CC(C)C)C3)CCC[C@@H]12	ZINC001094427057	960428720	/nfs/dbraw/zinc/42/87/20/960428720.db2.gz	FOFHYTHFXHRGLL-WAOWUJCRSA-N	1	0	359.514	1.875	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC(=O)N(CCOC)C3)CCC[C@@H]12	ZINC001094430151	960435583	/nfs/dbraw/zinc/43/55/83/960435583.db2.gz	DYEISPVDMMPWKX-MBOZVWFJSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC1CC1)CC2	ZINC001094433633	960448353	/nfs/dbraw/zinc/44/83/53/960448353.db2.gz	UTLPMHJTZNLHSY-WIYYLYMNSA-N	1	0	370.497	1.927	20	30		FDEDRO
C#C[C@@H](NC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1)[C@@H]1CCCO1	ZINC000773289334	960460098	/nfs/dbraw/zinc/46/00/98/960460098.db2.gz	DARPWLGOLUUQDP-MSOLQXFVSA-N	1	0	363.502	1.890	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cn4c(n3)C[C@H](OC)CC4)CCC[C@@H]12	ZINC001094444981	960513080	/nfs/dbraw/zinc/51/30/80/960513080.db2.gz	MTIKBKXVUVTVIE-HGHGUNKESA-N	1	0	370.497	1.842	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2CC[C@@]3(CNC(=O)c4cn[nH]n4)CCC[C@@H]23)c1	ZINC001094456522	960548481	/nfs/dbraw/zinc/54/84/81/960548481.db2.gz	HQRVDGUDHUHVRC-IEBWSBKVSA-N	1	0	350.426	1.851	20	30		FDEDRO
N#Cc1ccccc1C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCNC3=O)CCC[C@@H]12	ZINC001094487794	960578279	/nfs/dbraw/zinc/57/82/79/960578279.db2.gz	BFUDCVIBJFLGRJ-DBXWQHBBSA-N	1	0	366.465	1.555	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4nnn(C)c4C3)CCC[C@@H]12	ZINC001094498148	960615371	/nfs/dbraw/zinc/61/53/71/960615371.db2.gz	ZCKMCVYSOZGCBB-XFQXTVEOSA-N	1	0	357.502	1.857	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3COCCN3CCCC)CCC[C@@H]12	ZINC001094478664	960655778	/nfs/dbraw/zinc/65/57/78/960655778.db2.gz	ZMKKVTQQIJPIFX-SFHLNBCPSA-N	1	0	361.530	1.871	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cncc(-n4ccnn4)c3)CCC[C@@H]12	ZINC001094479216	960655981	/nfs/dbraw/zinc/65/59/81/960655981.db2.gz	SGWVGKFRSBMUSW-UYAOXDASSA-N	1	0	364.453	1.660	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCOCCO)C1	ZINC001181499399	960876810	/nfs/dbraw/zinc/87/68/10/960876810.db2.gz	FTDVZDLLCIQGHD-VXIBKDFQSA-N	1	0	354.491	1.051	20	30		FDEDRO
C=CCOCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1C	ZINC001181499588	960878642	/nfs/dbraw/zinc/87/86/42/960878642.db2.gz	QYWJTVLYODOKFH-YKTARERQSA-N	1	0	351.491	1.178	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)c3cccn4c(=O)[nH]nc34)CCC[C@@H]12	ZINC001094558022	960912366	/nfs/dbraw/zinc/91/23/66/960912366.db2.gz	BBDKIGJQIZDZAG-DNVCBOLYSA-N	1	0	355.442	1.985	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3C(N)=O)CCC[C@@H]12	ZINC001094589670	960921205	/nfs/dbraw/zinc/92/12/05/960921205.db2.gz	ODWHHNOZAUDMOW-JJRVBVJISA-N	1	0	354.882	1.643	20	30		FDEDRO
C=CCOC(=O)C[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)OCC=C	ZINC001172113718	961494589	/nfs/dbraw/zinc/49/45/89/961494589.db2.gz	JIYRINDTEFHUEI-YVSFHVDLSA-N	1	0	350.459	1.808	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1C[C@H](OCCO)[C@H]2OC(C)(C)O[C@@H]12	ZINC001172302513	961616544	/nfs/dbraw/zinc/61/65/44/961616544.db2.gz	LLZSRZVWPVBEQA-BIIJJZAFSA-N	1	0	360.454	1.749	20	30		FDEDRO
COCCN1CCO[C@H]2C[N@@H+]([C@H](C)Cc3ccc(C#N)cc3)CC[C@H]2C1=O	ZINC001172308985	961617107	/nfs/dbraw/zinc/61/71/07/961617107.db2.gz	QDJSEQYPAPKWNV-AHRSYUTCSA-N	1	0	371.481	1.685	20	30		FDEDRO
CC(=O)N1CC2(C1)C[N@H+]([C@H](C)Cc1ccc(C#N)cc1)C[C@@H]2C(=O)N(C)C	ZINC001172317568	961619989	/nfs/dbraw/zinc/61/99/89/961619989.db2.gz	RUJCJBMVQCFGCS-DNVCBOLYSA-N	1	0	368.481	1.358	20	30		FDEDRO
CC(=O)N1CC2(C1)C[N@H+]([C@@H](C)Cc1ccc(C#N)cc1)C[C@@H]2C(=O)N(C)C	ZINC001172317569	961620299	/nfs/dbraw/zinc/62/02/99/961620299.db2.gz	RUJCJBMVQCFGCS-HNAYVOBHSA-N	1	0	368.481	1.358	20	30		FDEDRO
CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CC[N@@H+]([C@H](C)CCCC#N)C2	ZINC001172495674	961685769	/nfs/dbraw/zinc/68/57/69/961685769.db2.gz	SPCSZGWBBYJXKV-BEFAXECRSA-N	1	0	372.473	1.142	20	30		FDEDRO
CC(C)[C@H]([NH2+][C@@H](C)CCCC#N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC001172492026	961686657	/nfs/dbraw/zinc/68/66/57/961686657.db2.gz	PTRCPUZNXRRTNW-SZMVWBNQSA-N	1	0	358.486	1.896	20	30		FDEDRO
CCCCCCC[C@H](CCC)[NH2+]CC(=O)NCC(=O)NCC(=O)OCC	ZINC001172508186	961689505	/nfs/dbraw/zinc/68/95/05/961689505.db2.gz	HBMZXUWWHOYCKN-INIZCTEOSA-N	1	0	371.522	1.901	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)[NH+]1CCCCC1	ZINC000774152934	961777777	/nfs/dbraw/zinc/77/77/77/961777777.db2.gz	KPVFKNVVIJUUDQ-CYBMUJFWSA-N	1	0	360.462	1.439	20	30		FDEDRO
C#CCN(C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1	ZINC000774210885	961839232	/nfs/dbraw/zinc/83/92/32/961839232.db2.gz	RAEHQKMIVJUVCE-XHSDSOJGSA-N	1	0	355.504	1.081	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CCN(CCO)CC2)C[C@H]1C#N	ZINC001172976291	961859590	/nfs/dbraw/zinc/85/95/90/961859590.db2.gz	NLCJWMCAFXIEGE-CVEARBPZSA-N	1	0	352.479	1.324	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)[C@@](C)(CO)C2)C[C@H]1C#N	ZINC001172979835	961862994	/nfs/dbraw/zinc/86/29/94/961862994.db2.gz	IDAYHSCPQGLMOV-OIPACUDHSA-N	1	0	353.463	1.343	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC3(CNC(=O)O3)CC2)C[C@H]1C#N	ZINC001172989494	961871627	/nfs/dbraw/zinc/87/16/27/961871627.db2.gz	IOYZXMBETWZOPB-KGLIPLIRSA-N	1	0	364.446	1.852	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)C[C@H]1C#N	ZINC001172991113	961900948	/nfs/dbraw/zinc/90/09/48/961900948.db2.gz	KQSQCAQNZRCXFU-QWQRMKEZSA-N	1	0	364.446	1.852	20	30		FDEDRO
C=CCOC1CCC([N@@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C(N)=O)C2)CC1	ZINC001173327760	962006901	/nfs/dbraw/zinc/00/69/01/962006901.db2.gz	RGWOIUVFIYAQTF-GPANFISMSA-N	1	0	367.490	1.907	20	30		FDEDRO
N#CCC1CCC([N@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)CC1	ZINC001173333532	962007140	/nfs/dbraw/zinc/00/71/40/962007140.db2.gz	PNVWZLCCXJGHEJ-KFPRQRBHSA-N	1	0	361.486	1.655	20	30		FDEDRO
Cc1ncsc1CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CSCC#N)C2	ZINC001110300782	962064940	/nfs/dbraw/zinc/06/49/40/962064940.db2.gz	MUKOGVHLVDOEBW-MCIONIFRSA-N	1	0	350.513	1.972	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+]CC(=O)NCc3ccco3)CC2)cc1	ZINC001173427401	962139522	/nfs/dbraw/zinc/13/95/22/962139522.db2.gz	UFUOINVNVYLKPE-UHFFFAOYSA-N	1	0	366.421	1.662	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH+]3CCC4(CNC(=O)C4)CC3)CC2)cc1	ZINC001173429545	962145710	/nfs/dbraw/zinc/14/57/10/962145710.db2.gz	ZBZLMPYTOSYOOJ-UHFFFAOYSA-N	1	0	366.465	1.765	20	30		FDEDRO
CN1CCO[C@H]2C[N@@H+](C3CCN(C(=O)c4ccc(C#N)cc4)CC3)C[C@H]21	ZINC001173431063	962147805	/nfs/dbraw/zinc/14/78/05/962147805.db2.gz	OITHTZZUKFPENS-MOPGFXCFSA-N	1	0	354.454	1.178	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1	ZINC001173432370	962150203	/nfs/dbraw/zinc/15/02/03/962150203.db2.gz	YXXIKHMWCIYRBX-SFHVURJKSA-N	1	0	368.481	1.963	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@]1(C)C[NH2+]Cc1cccc(C#N)c1	ZINC001182623492	962334698	/nfs/dbraw/zinc/33/46/98/962334698.db2.gz	MGWVIJYSUATTJD-PJKMLTEKSA-N	1	0	354.454	1.254	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2nnc(C)o2)C1	ZINC001182869756	962615245	/nfs/dbraw/zinc/61/52/45/962615245.db2.gz	UKFDCOFAHXKQRC-FDZBUTDGSA-N	1	0	362.474	1.933	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N[C@@H]1CCc2c(ccc(=O)n2CCOC)C1	ZINC001183079885	962780097	/nfs/dbraw/zinc/78/00/97/962780097.db2.gz	FYDQEZRJPXPIJZ-QGZVFWFLSA-N	1	0	359.470	1.120	20	30		FDEDRO
N#Cc1ccccc1C1(C(=O)N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)CC1	ZINC001183292476	962957063	/nfs/dbraw/zinc/95/70/63/962957063.db2.gz	QXUMYCXSMPWTFV-HDICACEKSA-N	1	0	351.450	1.911	20	30		FDEDRO
O=C(C#Cc1ccc2c(c1)OCO2)N1CCC[C@H]([NH+]2CCOCC2)CC1	ZINC000773415205	962963197	/nfs/dbraw/zinc/96/31/97/962963197.db2.gz	MSNJIBRZNCXTKO-KRWDZBQOSA-N	1	0	356.422	1.480	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1	ZINC001183354204	962980137	/nfs/dbraw/zinc/98/01/37/962980137.db2.gz	VUGHXNPPMRXFHT-GGPKGHCWSA-N	1	0	371.481	1.647	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(C)CCc3ccccc31)C2	ZINC001110177282	963002419	/nfs/dbraw/zinc/00/24/19/963002419.db2.gz	JVOCXUXIDYEBGZ-PGVBMLAISA-N	1	0	365.477	1.361	20	30		FDEDRO
C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2CCNC2=O)CCCCC1	ZINC001110177672	963011517	/nfs/dbraw/zinc/01/15/17/963011517.db2.gz	BMELXMHEPHHSSP-SQNIBIBYSA-N	1	0	372.513	1.707	20	30		FDEDRO
COCCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1	ZINC001110181484	963076638	/nfs/dbraw/zinc/07/66/38/963076638.db2.gz	GCNCSZLNDSMTQV-QYZOEREBSA-N	1	0	357.454	1.833	20	30		FDEDRO
COCCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1	ZINC001110182099	963084888	/nfs/dbraw/zinc/08/48/88/963084888.db2.gz	WGSJROYYIROMBL-QYZOEREBSA-N	1	0	357.454	1.833	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=O)NCC#N	ZINC001175630517	963242608	/nfs/dbraw/zinc/24/26/08/963242608.db2.gz	QFTGKNLGDZLJKZ-RYRKJORJSA-N	1	0	364.490	1.262	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CCCC)NC(N)=O)C2	ZINC001110192874	963360061	/nfs/dbraw/zinc/36/00/61/963360061.db2.gz	GWSQTPVIZDFRLW-UGUYLWEFSA-N	1	0	352.479	1.138	20	30		FDEDRO
N#Cc1cccc(N2C[C@H](C(=O)NCC34CC[NH+](CC3)CC4)OC2=O)c1	ZINC001184377145	963563373	/nfs/dbraw/zinc/56/33/73/963563373.db2.gz	YOPAAKCWNMAUAD-MRXNPFEDSA-N	1	0	354.410	1.486	20	30		FDEDRO
COCCC1([NH3+])CCN(C(=O)[C@@H]2CN(c3cccc(C#N)c3)C(=O)O2)CC1	ZINC001184380751	963566486	/nfs/dbraw/zinc/56/64/86/963566486.db2.gz	OJZMEKWGMWTSDR-INIZCTEOSA-N	1	0	372.425	1.240	20	30		FDEDRO
CC(C)(C)[NH+]1CCN(C(=O)[C@H]2CN(c3cccc(C#N)c3)C(=O)O2)CC1	ZINC001184381532	963567542	/nfs/dbraw/zinc/56/75/42/963567542.db2.gz	RWPLOLSYOLGMLU-MRXNPFEDSA-N	1	0	356.426	1.826	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+][C@@H]2CCN(C(=O)[C@]34C[C@H]3CCC4)C2)c1	ZINC001184445352	963595154	/nfs/dbraw/zinc/59/51/54/963595154.db2.gz	SGHQZMSJORQAOI-HGHGUNKESA-N	1	0	351.450	1.987	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc(C)s1)C2	ZINC001110359182	963859667	/nfs/dbraw/zinc/85/96/67/963859667.db2.gz	FAKFFRQUHCZDSA-OAGGEKHMSA-N	1	0	374.510	1.987	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C(N)=O)cc1	ZINC001110366473	964030580	/nfs/dbraw/zinc/03/05/80/964030580.db2.gz	SXPZETHEWQZMNY-AXUOBQJMSA-N	1	0	371.481	1.988	20	30		FDEDRO
C[C@@H](C[NH+](C)C)NC(=O)c1cc(C#N)ccc1I	ZINC001185804571	964115089	/nfs/dbraw/zinc/11/50/89/964115089.db2.gz	VJNXGXGCUAIKLX-VIFPVBQESA-N	1	0	357.195	1.843	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC[C@H](c1ccc(CC)cc1)[NH+](C)C)[C@@H]1CCCO1	ZINC000774950052	964200487	/nfs/dbraw/zinc/20/04/87/964200487.db2.gz	UINLWPNSZHYLOS-OTWHNJEPSA-N	1	0	371.481	1.265	20	30		FDEDRO
C=C(C)CC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@]34C[C@H]3COC4)C2)nn1	ZINC001185954810	964214172	/nfs/dbraw/zinc/21/41/72/964214172.db2.gz	PDFZRAMMMDMBAM-WDYCEAGBSA-N	1	0	359.474	1.534	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](n2cc(C[NH2+]CCCC)nn2)C1	ZINC001186008064	964251527	/nfs/dbraw/zinc/25/15/27/964251527.db2.gz	OANOUSQQTJJAJQ-KSZLIROESA-N	1	0	361.490	1.922	20	30		FDEDRO
N#CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1ccncc1	ZINC001178518575	964267186	/nfs/dbraw/zinc/26/71/86/964267186.db2.gz	QONDLUOZFRACQO-DLBZAZTESA-N	1	0	357.458	1.091	20	30		FDEDRO
C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H](C)CC(N)=O)C1	ZINC001186196933	964346097	/nfs/dbraw/zinc/34/60/97/964346097.db2.gz	YPMSGGNHDCUUDA-YXJHDRRASA-N	1	0	359.445	1.492	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC(C)(C)CC)[C@@H]1C	ZINC001178725167	964362788	/nfs/dbraw/zinc/36/27/88/964362788.db2.gz	GZZJMZOEUHUYBO-YVSFHVDLSA-N	1	0	365.518	1.851	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2C[N@@H+](C)CC2(C)C)ccc1F	ZINC001178710263	964390523	/nfs/dbraw/zinc/39/05/23/964390523.db2.gz	YKGCMILVBXZBFN-HNNXBMFYSA-N	1	0	369.462	1.360	20	30		FDEDRO
C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COC1CCOCC1	ZINC001110380208	964451448	/nfs/dbraw/zinc/45/14/48/964451448.db2.gz	OVBQQRHSSATUPS-AHCXZYCDSA-N	1	0	352.475	1.231	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccncc2)CC12CCOCC2	ZINC001186373775	964481985	/nfs/dbraw/zinc/48/19/85/964481985.db2.gz	NOLSOTUCLBTWQE-CEXWTWQISA-N	1	0	353.466	1.663	20	30		FDEDRO
C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)CC12CCOCC2	ZINC001186506068	964534306	/nfs/dbraw/zinc/53/43/06/964534306.db2.gz	XQVATWAIFXFEFE-GVDBMIGSSA-N	1	0	356.470	1.002	20	30		FDEDRO
CN1CCN(CC(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1	ZINC001178956225	964577376	/nfs/dbraw/zinc/57/73/76/964577376.db2.gz	MTASXXHKCWITPM-MXVIHJGJSA-N	1	0	369.513	1.404	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@]12CCC[C@H]1OCC2	ZINC001179004511	964617437	/nfs/dbraw/zinc/61/74/37/964617437.db2.gz	VHDQEYUCIYXPJN-HLIPFELVSA-N	1	0	365.518	1.903	20	30		FDEDRO
N#CCSCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)c3ccc(F)cc3)C[C@H]21	ZINC001186939760	964854495	/nfs/dbraw/zinc/85/44/95/964854495.db2.gz	IQTCCECYYOVWJV-USXIJHARSA-N	1	0	363.458	1.649	20	30		FDEDRO
COc1ccc(C[NH2+]CC2CC(NC(=O)[C@H]3OCC[C@H]3C)C2)cc1C#N	ZINC000962319312	1013527312	/nfs/dbraw/zinc/52/73/12/1013527312.db2.gz	RECQDZMOXWGUFH-HGZNSMBASA-N	1	0	357.454	1.976	20	30		FDEDRO
CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1	ZINC001179572734	964903663	/nfs/dbraw/zinc/90/36/63/964903663.db2.gz	AWMXVMQHDILVLW-ZWKOTPCHSA-N	1	0	363.502	1.446	20	30		FDEDRO
C[C@H]1[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)CCN1C(=O)[C@H]1C[C@H]1C(N)=O	ZINC001179543739	964911465	/nfs/dbraw/zinc/91/14/65/964911465.db2.gz	HXDDBKGLWUENAR-IEAZIUSSSA-N	1	0	359.857	1.392	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1c(C)nnn1CC	ZINC001179634753	964941015	/nfs/dbraw/zinc/94/10/15/964941015.db2.gz	YUKQMRUAAIKKJJ-AEFFLSMTSA-N	1	0	363.506	1.964	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CCCCCCNC(=O)[C@@H]2CCO[C@H]2C=C)C1=O	ZINC001179634769	964941112	/nfs/dbraw/zinc/94/11/12/964941112.db2.gz	ZMJKQNVBAAZNGO-SQNIBIBYSA-N	1	0	363.502	1.631	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+]CC(=O)Nc1ccon1	ZINC001179638084	964942228	/nfs/dbraw/zinc/94/22/28/964942228.db2.gz	IFMSBJPEXUXLCF-CABCVRRESA-N	1	0	364.446	1.470	20	30		FDEDRO
Cc1ccc([C@@H]2C[C@H]2C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]2C)s1	ZINC001179688604	964944751	/nfs/dbraw/zinc/94/47/51/964944751.db2.gz	FEMRXAVQEODVAC-YJNKXOJESA-N	1	0	360.483	1.379	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1CC[C@H]2CN(Cc3snnc3C)C[C@H]21	ZINC001187225393	965100358	/nfs/dbraw/zinc/10/03/58/965100358.db2.gz	FAYPZSQQICDFCT-SOUVJXGZSA-N	1	0	350.488	1.860	20	30		FDEDRO
CC(C)[NH+]1CCN(CC(=O)N2CCCN(c3ccc(C#N)cn3)CC2)CC1	ZINC001180347270	965239914	/nfs/dbraw/zinc/23/99/14/965239914.db2.gz	NXYYZJNKTYKKLN-UHFFFAOYSA-N	1	0	370.501	1.018	20	30		FDEDRO
CNC(=O)c1cc(C#N)cc(C)c1NC(=O)CN1CC[NH+](C(C)C)CC1	ZINC001180349935	965240481	/nfs/dbraw/zinc/24/04/81/965240481.db2.gz	YIIZVCRKFDXQAO-UHFFFAOYSA-N	1	0	357.458	1.191	20	30		FDEDRO
C=CCOCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)Cc3ccc(F)cc3)C[C@H]21	ZINC001187320400	965243738	/nfs/dbraw/zinc/24/37/38/965243738.db2.gz	RXEDNNVNOXFZBD-YTQUADARSA-N	1	0	362.445	1.464	20	30		FDEDRO
CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1	ZINC001187547465	965491183	/nfs/dbraw/zinc/49/11/83/965491183.db2.gz	WGJIHIIAHBUHHN-GRDNDAEWSA-N	1	0	357.458	1.288	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CCS(=O)(=O)NC)[C@@H]2C1	ZINC001187895718	965833337	/nfs/dbraw/zinc/83/33/37/965833337.db2.gz	OOOILOILNJJQGM-JKSUJKDBSA-N	1	0	357.520	1.205	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](OC)c3ccccc3)C[C@H]21	ZINC001187874034	965868880	/nfs/dbraw/zinc/86/88/80/965868880.db2.gz	LAJZOOQUMIXGCM-ZCNNSNEGSA-N	1	0	356.466	1.947	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1	ZINC001187948262	965923754	/nfs/dbraw/zinc/92/37/54/965923754.db2.gz	DLNSDLCFCJCSID-HNNXBMFYSA-N	1	0	351.472	1.317	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CCNS(C)(=O)=O)[C@@H]2C1	ZINC001188095427	966005885	/nfs/dbraw/zinc/00/58/85/966005885.db2.gz	LDPPHIRXNAIDOI-JKSUJKDBSA-N	1	0	357.520	1.205	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)CCCn4ccnn4)[C@@H]3C2)c1	ZINC001188190356	966092210	/nfs/dbraw/zinc/09/22/10/966092210.db2.gz	XHDZKSPQETVMMJ-RBUKOAKNSA-N	1	0	364.453	1.663	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3nccc4cccnc43)[C@@H]2C1	ZINC001188229891	966139241	/nfs/dbraw/zinc/13/92/41/966139241.db2.gz	DIARCWYONKSYQC-DLBZAZTESA-N	1	0	350.422	1.426	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1	ZINC000957620363	1013630383	/nfs/dbraw/zinc/63/03/83/1013630383.db2.gz	HOIMDUAHHFAVKR-OKLHXDLCSA-N	1	0	361.486	1.025	20	30		FDEDRO
C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)CCCc3ccsc3)[C@@H]2C1	ZINC001188271098	966174556	/nfs/dbraw/zinc/17/45/56/966174556.db2.gz	HKYGLIGMKSXOBL-DLBZAZTESA-N	1	0	359.495	1.353	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cccc4cnccc43)[C@@H]2C1	ZINC001188335846	966211472	/nfs/dbraw/zinc/21/14/72/966211472.db2.gz	CFGSLVLFCZQDHK-PZJWPPBQSA-N	1	0	363.461	1.960	20	30		FDEDRO
C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1	ZINC001188405483	966299439	/nfs/dbraw/zinc/29/94/39/966299439.db2.gz	IINUADRSFQTQGO-MAUKXSAKSA-N	1	0	367.453	1.091	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3nc4ccccc4[nH]3)[C@@H]2C1	ZINC001188470706	966341146	/nfs/dbraw/zinc/34/11/46/966341146.db2.gz	SMQMIRHBUGKGCL-QFBILLFUSA-N	1	0	366.465	1.678	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn4ccccc34)[C@@H]2C1	ZINC001188517779	966350522	/nfs/dbraw/zinc/35/05/22/966350522.db2.gz	DGKZQTZLOBPKFK-JTDSTZFVSA-N	1	0	366.465	1.776	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)OCc3ccccc3)[C@@H]2C1	ZINC001188528242	966361087	/nfs/dbraw/zinc/36/10/87/966361087.db2.gz	HWQFOLXVJNNQNA-YSIASYRMSA-N	1	0	356.466	1.774	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC000964506205	1013653917	/nfs/dbraw/zinc/65/39/17/1013653917.db2.gz	HCWRTVCAJOBFOD-FVQBIDKESA-N	1	0	357.458	1.337	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(CC(=O)N[C@H](C)C(C)C)C[C@H]32)cc1	ZINC001188744327	966552855	/nfs/dbraw/zinc/55/28/55/966552855.db2.gz	MQCAQHCMXMCSPO-LSTHTHJFSA-N	1	0	367.493	1.975	20	30		FDEDRO
CC#CCCCC(=O)N1CC[C@H]2CN(Cc3cn(CC4CC4)nn3)C[C@H]21	ZINC001188902912	966644932	/nfs/dbraw/zinc/64/49/32/966644932.db2.gz	BTLJBPCFUGSVJD-PKOBYXMFSA-N	1	0	355.486	1.914	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2CNC(=O)[C@@H]2C[C@H]2CC)CC1	ZINC000964515283	1013666280	/nfs/dbraw/zinc/66/62/80/1013666280.db2.gz	NOVNKFHZPSFMEV-BHIYHBOVSA-N	1	0	359.514	1.875	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]32)c1	ZINC001189067853	966730949	/nfs/dbraw/zinc/73/09/49/966730949.db2.gz	AJWWMOYCMMVOLO-CWRNSKLLSA-N	1	0	367.371	1.523	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3CN(CC(=O)N[C@@H](C)CCC)C[C@H]32)c1	ZINC001189076930	966751446	/nfs/dbraw/zinc/75/14/46/966751446.db2.gz	FBWMBDZOXYHEAW-VDZJLULYSA-N	1	0	368.481	1.514	20	30		FDEDRO
COc1ccc(C#N)c(C(=O)N[C@H]2CC[C@H](NC(=O)C[NH+](C)C)CC2)c1	ZINC001189096801	966769477	/nfs/dbraw/zinc/76/94/77/966769477.db2.gz	WTUORHYMQUSQIZ-SHTZXODSSA-N	1	0	358.442	1.286	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)COC[C@@H]4CCOC4)[C@@H]3C2)c1	ZINC001189294100	966877380	/nfs/dbraw/zinc/87/73/80/966877380.db2.gz	YICAMWLTPNWPOS-HSALFYBXSA-N	1	0	369.465	1.644	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C(=O)NCc3ccc(F)cc3)[C@@H]2C1	ZINC001189358806	966942473	/nfs/dbraw/zinc/94/24/73/966942473.db2.gz	BLUCCUKBBRAVIK-FUHWJXTLSA-N	1	0	359.445	1.941	20	30		FDEDRO
C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](CCOCCC(C)C)C[C@H]32)nn1	ZINC001189359398	966943876	/nfs/dbraw/zinc/94/38/76/966943876.db2.gz	NNKKFHNLMAKMCK-FUHWJXTLSA-N	1	0	361.490	1.673	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4ccccc4O3)[C@@H]2C1	ZINC001189470711	966981799	/nfs/dbraw/zinc/98/17/99/966981799.db2.gz	LBPVKOWOBSMQLW-NLWGTHIKSA-N	1	0	354.450	1.563	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc4nccnc43)[C@@H]2C1	ZINC001189522905	967031315	/nfs/dbraw/zinc/03/13/15/967031315.db2.gz	QXBPUZIRNFTJFD-MAUKXSAKSA-N	1	0	352.438	1.979	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C2(CO)CCN(C(=O)OC(C)(C)C)CC2)C1=O	ZINC000852175359	967053639	/nfs/dbraw/zinc/05/36/39/967053639.db2.gz	VHFBXHUYFVPFMT-CQSZACIVSA-N	1	0	353.463	1.125	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)c3ncoc3C3CC3)[C@@H]2C1	ZINC001189646836	967099723	/nfs/dbraw/zinc/09/97/23/967099723.db2.gz	UDBLHLMBRVEEJJ-VHDGCEQUSA-N	1	0	358.442	1.389	20	30		FDEDRO
Cc1oc(C(C)C)cc1C(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21	ZINC001189605736	967108244	/nfs/dbraw/zinc/10/82/44/967108244.db2.gz	WCIXTMTZWSJTEV-GOEBONIOSA-N	1	0	358.442	1.498	20	30		FDEDRO
C#C[C@@H](NC(=O)NCC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CCCO1	ZINC000852259716	967163546	/nfs/dbraw/zinc/16/35/46/967163546.db2.gz	KHABSYDNWLAAIY-MOPGFXCFSA-N	1	0	356.470	1.774	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCc1ccc(N2CCCNC2=O)cc1	ZINC000852359150	967250791	/nfs/dbraw/zinc/25/07/91/967250791.db2.gz	DAZLUKXRSXBJML-UHFFFAOYSA-N	1	0	357.458	1.361	20	30		FDEDRO
CNC(=O)Nc1cccc(C(=O)N2CC[C@H]3C[N@H+](CC#CCOC)C[C@H]32)c1	ZINC001189793348	967270584	/nfs/dbraw/zinc/27/05/84/967270584.db2.gz	BEVQCKNWNROGNL-FUHWJXTLSA-N	1	0	370.453	1.234	20	30		FDEDRO
C=C(Br)CN1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1	ZINC001189794821	967272062	/nfs/dbraw/zinc/27/20/62/967272062.db2.gz	YOKXLKKOKJQBAI-UONOGXRCSA-N	1	0	360.296	1.006	20	30		FDEDRO
C#CCC[NH+]1CCN(CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC1	ZINC000776592434	967279126	/nfs/dbraw/zinc/27/91/26/967279126.db2.gz	FTZBSLPQIMVWIL-UHFFFAOYSA-N	1	0	362.861	1.408	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3nn(C)c4ccccc43)[C@@H]2C1	ZINC001189865483	967315496	/nfs/dbraw/zinc/31/54/96/967315496.db2.gz	PBLUVPLAKGVGBA-MAUKXSAKSA-N	1	0	354.454	1.922	20	30		FDEDRO
C#C[C@@H](NC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1)[C@H]1CCCO1	ZINC000775329798	967333282	/nfs/dbraw/zinc/33/32/82/967333282.db2.gz	NQZSVVJJIXMSFR-WOJBJXKFSA-N	1	0	355.482	1.804	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3OCc4ccccc43)[C@@H]2C1	ZINC001189969296	967423024	/nfs/dbraw/zinc/42/30/24/967423024.db2.gz	DXCLFLPLKMUAGZ-PWIZWCRZSA-N	1	0	354.450	1.831	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3COc4ccccc4O3)[C@@H]2C1	ZINC001190020123	967470141	/nfs/dbraw/zinc/47/01/41/967470141.db2.gz	UUMZSCSRDDYONR-FRQCXROJSA-N	1	0	356.422	1.009	20	30		FDEDRO
CC(=O)N(C)CCCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001189986259	967477866	/nfs/dbraw/zinc/47/78/66/967477866.db2.gz	JWYMBJPKGDAKJZ-VQTJNVASSA-N	1	0	368.481	1.849	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(OC)c(OC)c3)[C@@H]2C1	ZINC001190005578	967496054	/nfs/dbraw/zinc/49/60/54/967496054.db2.gz	KDJZCGLGUZVYHY-DLBZAZTESA-N	1	0	358.438	1.500	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccccc3C)[C@@H]2C1	ZINC001190099902	967536069	/nfs/dbraw/zinc/53/60/69/967536069.db2.gz	FDUXZMVTKBDXFU-YTQUADARSA-N	1	0	355.482	1.761	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCC(=O)N3CCOCC3)[C@@H]2C1	ZINC001190071934	967545625	/nfs/dbraw/zinc/54/56/25/967545625.db2.gz	ALIKENXSUCWNIG-FGTMMUONSA-N	1	0	363.502	1.513	20	30		FDEDRO
C#CCC[N@@H+](CCOC)CCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852752402	967578009	/nfs/dbraw/zinc/57/80/09/967578009.db2.gz	XDLYKSFPLQZNCV-UHFFFAOYSA-N	1	0	359.470	1.824	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCOc3ccccc3C)[C@@H]2C1	ZINC001190166944	967618365	/nfs/dbraw/zinc/61/83/65/967618365.db2.gz	CEAMRJRYTQJDNK-RBUKOAKNSA-N	1	0	356.466	1.946	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)Nc1ccc(S(=O)(=O)NCC2CC2)cc1	ZINC000852813092	967626321	/nfs/dbraw/zinc/62/63/21/967626321.db2.gz	BKRAJBDYKFCERS-UHFFFAOYSA-N	1	0	361.467	1.316	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@H]([N@H+](C)CC#Cc3ccc(F)cc3)C2)C1	ZINC001190221974	967637752	/nfs/dbraw/zinc/63/77/52/967637752.db2.gz	VGUZCFQGYYFVFQ-AYOQOUSVSA-N	1	0	371.456	1.625	20	30		FDEDRO
CN(C(=O)C#CC1CC[NH2+]CC1)[C@H]1CCN(c2ccccc2Cl)C1=O	ZINC000852839071	967648502	/nfs/dbraw/zinc/64/85/02/967648502.db2.gz	WIRSNWLRPCWRSF-KRWDZBQOSA-N	1	0	359.857	1.907	20	30		FDEDRO
C[C@@H]1CN(Cc2csc(NC(=O)C#CC3CC[NH2+]CC3)n2)C[C@@H](C)O1	ZINC000852857459	967661469	/nfs/dbraw/zinc/66/14/69/967661469.db2.gz	TWZSMDNXGJWYRV-ZIAGYGMSSA-N	1	0	362.499	1.694	20	30		FDEDRO
COc1ccccc1[C@@H](NC(=O)C#CC1CC[NH2+]CC1)c1nccn1C	ZINC000852857512	967661729	/nfs/dbraw/zinc/66/17/29/967661729.db2.gz	VVKVXPURYYLENW-LJQANCHMSA-N	1	0	352.438	1.637	20	30		FDEDRO
Cc1nc(CN2CCC(CNC(=O)C#CC3CC[NH2+]CC3)CC2)oc1C	ZINC000852866890	967672654	/nfs/dbraw/zinc/67/26/54/967672654.db2.gz	NGOVRIPVEYZZGC-UHFFFAOYSA-N	1	0	358.486	1.623	20	30		FDEDRO
COc1cc(CN2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)cc(OC)c1	ZINC000852871932	967677812	/nfs/dbraw/zinc/67/78/12/967677812.db2.gz	FLVVMWMJXDEQRI-UHFFFAOYSA-N	1	0	371.481	1.351	20	30		FDEDRO
COc1cc(OC)cc(N2CC[C@H](CNC(=O)C#CC3CC[NH2+]CC3)C2)c1	ZINC000852872425	967678899	/nfs/dbraw/zinc/67/88/99/967678899.db2.gz	MAECHAOVTGSNEE-QGZVFWFLSA-N	1	0	371.481	1.649	20	30		FDEDRO
COC(=O)c1ccc(N2CCN(C(=O)C#CC3CC[NH2+]CC3)[C@H](C)C2)cc1	ZINC000852883017	967687175	/nfs/dbraw/zinc/68/71/75/967687175.db2.gz	DCFYSFCWPFDRGP-MRXNPFEDSA-N	1	0	369.465	1.513	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1	ZINC000852887466	967690285	/nfs/dbraw/zinc/69/02/85/967690285.db2.gz	ANEHGODSPVRBOO-SFHVURJKSA-N	1	0	357.498	1.631	20	30		FDEDRO
C[C@H]1C[C@H]1c1noc(CC2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)n1	ZINC000852895957	967694245	/nfs/dbraw/zinc/69/42/45/967694245.db2.gz	NYTNFXJXWUKGBK-WMLDXEAASA-N	1	0	356.470	1.977	20	30		FDEDRO
COC(=O)c1cnc([C@H]2CCCN(C(=O)C#CC3CC[NH2+]CC3)C2)s1	ZINC000852924979	967714379	/nfs/dbraw/zinc/71/43/79/967714379.db2.gz	TVFVZDOKWWSSRE-AWEZNQCLSA-N	1	0	361.467	1.639	20	30		FDEDRO
O=C(CC#Cc1ccccc1)N1CC[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21	ZINC001190311307	967723652	/nfs/dbraw/zinc/72/36/52/967723652.db2.gz	AOPSFNAZWACMIC-IPMKNSEASA-N	1	0	351.450	1.240	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3C(=O)Nc4ccccc43)[C@@H]2C1	ZINC001190467166	967895087	/nfs/dbraw/zinc/89/50/87/967895087.db2.gz	OIROXQDPNMYNGQ-VDZJLULYSA-N	1	0	369.465	1.848	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCCOC(C)C)[C@@H]2C1	ZINC001190508569	967908547	/nfs/dbraw/zinc/90/85/47/967908547.db2.gz	PBKITRJOEDNZDM-IXDOHACOSA-N	1	0	351.491	1.415	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(-n4ccnn4)c3)[C@@H]2C1	ZINC001190495979	967930892	/nfs/dbraw/zinc/93/08/92/967930892.db2.gz	WDGNJESEXIUYCT-PKOBYXMFSA-N	1	0	365.437	1.063	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc4nnn(C)c43)[C@@H]2C1	ZINC001190543707	967941498	/nfs/dbraw/zinc/94/14/98/967941498.db2.gz	VLZDSSJPVYOOER-WMLDXEAASA-N	1	0	355.442	1.317	20	30		FDEDRO
N#Cc1ccc(C(=O)N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)nc1	ZINC001190583422	967968275	/nfs/dbraw/zinc/96/82/75/967968275.db2.gz	APNVZTJFYLTCED-YQQAZPJKSA-N	1	0	364.409	1.015	20	30		FDEDRO
N#Cc1ccc(F)c(S(=O)(=O)N2CCO[C@@H](C[NH+]3CCCC3)C2)c1	ZINC001190642433	967999833	/nfs/dbraw/zinc/99/98/33/967999833.db2.gz	GZMGLIDMYNPRBJ-AWEZNQCLSA-N	1	0	353.419	1.183	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(F)c(F)c1)C2	ZINC001110666238	968007444	/nfs/dbraw/zinc/00/74/44/968007444.db2.gz	DSNMEHKFWHQIBH-AADNMHCOSA-N	1	0	361.392	1.438	20	30		FDEDRO
C=CCC1(S(=O)(=O)NCc2ccccc2CN2CC[NH+](C)CC2)CC1	ZINC001190822295	968108857	/nfs/dbraw/zinc/10/88/57/968108857.db2.gz	TWGOZXPWSAFHAR-UHFFFAOYSA-N	1	0	363.527	1.962	20	30		FDEDRO
COCCC[NH+]1CCC(NS(=O)(=O)c2cc(C#N)ccc2Cl)CC1	ZINC001190988708	968217551	/nfs/dbraw/zinc/21/75/51/968217551.db2.gz	DUNMUEKCFKYIAC-UHFFFAOYSA-N	1	0	371.890	1.991	20	30		FDEDRO
NC(=[NH+]OCc1ncnn1CCF)c1ccc(N2CCC(O)CC2)cc1	ZINC000853672382	968239496	/nfs/dbraw/zinc/23/94/96/968239496.db2.gz	CYYCNUXDDXOKPH-UHFFFAOYSA-N	1	0	362.409	1.046	20	30		FDEDRO
C#Cc1ccccc1C(=O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1	ZINC001191107879	968277469	/nfs/dbraw/zinc/27/74/69/968277469.db2.gz	AWQCAZRBZGHKKA-UHFFFAOYSA-N	1	0	359.389	1.939	20	30		FDEDRO
C#CCNc1nc(N[C@@H](C)C2(CO)CC2)[nH+]c(N[C@@H](C)C2(CO)CC2)n1	ZINC000853805744	968333805	/nfs/dbraw/zinc/33/38/05/968333805.db2.gz	YAURNQSUMJOEBS-STQMWFEESA-N	1	0	360.462	1.063	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)c2cnc(=O)[nH]c2)[C@H]2CC[C@H]([NH3+])CC2)cc1	ZINC001191189961	968355965	/nfs/dbraw/zinc/35/59/65/968355965.db2.gz	JHDPTJGPIFBGRV-QAQDUYKDSA-N	1	0	351.410	1.966	20	30		FDEDRO
CCN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@@H]1CC[N@H+](C)C1	ZINC000853990996	968505819	/nfs/dbraw/zinc/50/58/19/968505819.db2.gz	ZFMSEVBMWDGYQG-RBSFLKMASA-N	1	0	365.478	1.481	20	30		FDEDRO
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC000854057071	968563583	/nfs/dbraw/zinc/56/35/83/968563583.db2.gz	CPTJLQDEXRLPIN-QUCCMNQESA-N	1	0	355.482	1.862	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCCOc2ccccc2)C[C@H]1O	ZINC001191622826	968631254	/nfs/dbraw/zinc/63/12/54/968631254.db2.gz	XPHRFJAXKCGVSR-BHIYHBOVSA-N	1	0	362.470	1.598	20	30		FDEDRO
CSC[C@H](C)C(=O)N[C@@H]1CN(Cc2ccc(OCC#N)cc2)C[C@H]1O	ZINC001191806972	968786881	/nfs/dbraw/zinc/78/68/81/968786881.db2.gz	GEFLFEKJVKFNIJ-IAOVAPTHSA-N	1	0	363.483	1.249	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21	ZINC000854663878	969067267	/nfs/dbraw/zinc/06/72/67/969067267.db2.gz	GUFXSWOBMSOFQO-UHFFFAOYSA-N	1	0	365.231	1.716	20	30		FDEDRO
Cc1ncc(C(=O)n2cc(Br)ccc2=NCC[NH3+])cc1C#N	ZINC001192301384	969076652	/nfs/dbraw/zinc/07/66/52/969076652.db2.gz	OZKIODVUDCFYRO-UHFFFAOYSA-N	1	0	360.215	1.374	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCCCOc2ccccc2)C[C@H]1O	ZINC001192540460	969181321	/nfs/dbraw/zinc/18/13/21/969181321.db2.gz	QAUWEJNKMIMFEO-GGPKGHCWSA-N	1	0	362.470	1.334	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)Nc2ccc(N3C(=O)C=CC3=O)cc2)CC1	ZINC001192629716	969212505	/nfs/dbraw/zinc/21/25/05/969212505.db2.gz	IHGLBDNIWPRWKL-UHFFFAOYSA-N	1	0	353.382	1.225	20	30		FDEDRO
C[NH+](C)CCOCc1ncn2c1CN(C(=O)c1ccc(C#N)o1)CCC2	ZINC001192677067	969226837	/nfs/dbraw/zinc/22/68/37/969226837.db2.gz	YMTFGZKONPQQPM-UHFFFAOYSA-N	1	0	357.414	1.472	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCn3ccnc3C2)c(OC)c1	ZINC000644626149	1013865865	/nfs/dbraw/zinc/86/58/65/1013865865.db2.gz	MNUIDAJVOLVJEO-IAGOWNOFSA-N	1	0	357.454	1.965	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccc3ccccc32)C[C@H]1O	ZINC001192891831	969351351	/nfs/dbraw/zinc/35/13/51/969351351.db2.gz	QSKLGGJAYUQNSA-CDHQVMDDSA-N	1	0	352.434	1.539	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(OCCOC)c2)C1	ZINC001192899096	969353150	/nfs/dbraw/zinc/35/31/50/969353150.db2.gz	GYLFUJHVZYVWKZ-DJIMGWMZSA-N	1	0	363.458	1.236	20	30		FDEDRO
C#CCCOc1ccc(C(=O)N[C@@H]2C[N@H+](CC3CC(C)C3)C[C@H]2O)cc1	ZINC001192899828	969354755	/nfs/dbraw/zinc/35/47/55/969354755.db2.gz	WJKBHJMGTQKUTC-YEYPGUGLSA-N	1	0	356.466	1.910	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)N2CCCCC2=O)C1	ZINC001192944918	969370147	/nfs/dbraw/zinc/37/01/47/969370147.db2.gz	VJPIZXFZPGZFRL-KZNAEPCWSA-N	1	0	367.534	1.909	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CCOC)nc2C)C1	ZINC001192930824	969387115	/nfs/dbraw/zinc/38/71/15/969387115.db2.gz	BKDOAIJNMPVLLO-QZTJIDSGSA-N	1	0	366.506	1.583	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOC[C@H]2CCCO2)c[nH]1	ZINC001110455977	969572621	/nfs/dbraw/zinc/57/26/21/969572621.db2.gz	PQWXLOVUOYUDMJ-TVFCKZIOSA-N	1	0	358.442	1.417	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccc(F)cc2)C[C@H]1O	ZINC001193337285	969642342	/nfs/dbraw/zinc/64/23/42/969642342.db2.gz	NEDOQNRVITTYBX-RCCFBDPRSA-N	1	0	364.461	1.493	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(NC(C)=O)cn2)C1	ZINC001193576946	969744127	/nfs/dbraw/zinc/74/41/27/969744127.db2.gz	GQTPGZNSYZNUFC-QZTJIDSGSA-N	1	0	362.474	1.785	20	30		FDEDRO
C[NH+]1CC2(CN(C(=O)c3cc(I)ccc3C#N)C2)C1	ZINC001193581486	969747566	/nfs/dbraw/zinc/74/75/66/969747566.db2.gz	MYALATADLRHXEX-UHFFFAOYSA-N	1	0	367.190	1.550	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](CC3CCCCCC3)C[C@H]2O)CCOCC1	ZINC001193720780	969816872	/nfs/dbraw/zinc/81/68/72/969816872.db2.gz	ZGWSULFEAZJAKK-RTBURBONSA-N	1	0	362.514	1.938	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]c(C)c(C(N)=O)c2CC)C1	ZINC001193738328	969823691	/nfs/dbraw/zinc/82/36/91/969823691.db2.gz	QRBUNBURRJLMNJ-NILFDRSVSA-N	1	0	362.474	1.114	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)c3ccccc32)C1	ZINC001193843318	969869361	/nfs/dbraw/zinc/86/93/61/969869361.db2.gz	WJFNJAHEUAIENF-IPMKNSEASA-N	1	0	371.481	1.421	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3n2CCOC3)C1	ZINC001193891976	969909877	/nfs/dbraw/zinc/90/98/77/969909877.db2.gz	BIMFLKMKOUSVTE-GDBMZVCRSA-N	1	0	350.463	1.159	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC(F)(F)F)n2)C1	ZINC001193960901	969937196	/nfs/dbraw/zinc/93/71/96/969937196.db2.gz	HRLMXVXWRWPZFG-MRVWCRGKSA-N	1	0	360.380	1.575	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn3c(n2)CC[C@H](C)C3)C1	ZINC001194063032	969981147	/nfs/dbraw/zinc/98/11/47/969981147.db2.gz	GMGHEUFESCPAMK-LZLYRXPVSA-N	1	0	360.502	1.987	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(C)=O)C2)C1	ZINC001194508169	970225228	/nfs/dbraw/zinc/22/52/28/970225228.db2.gz	NKMVOPYJKLRRTQ-KZNAEPCWSA-N	1	0	353.507	1.377	20	30		FDEDRO
C[NH+]1CCN(c2ccc(C(=O)N3CCN(CCC#N)CC3)c(F)c2)CC1	ZINC001194528885	970234488	/nfs/dbraw/zinc/23/44/88/970234488.db2.gz	KDDOWXCRZQFYHF-UHFFFAOYSA-N	1	0	359.449	1.249	20	30		FDEDRO
C[NH+]1CCN(c2ccc(C(=O)NCc3ncc(C#N)s3)c(F)c2)CC1	ZINC001194552221	970246435	/nfs/dbraw/zinc/24/64/35/970246435.db2.gz	WWFYPDHLTXOHIM-UHFFFAOYSA-N	1	0	359.430	1.836	20	30		FDEDRO
C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cccc(N2CC[NH+](C)CC2)n1	ZINC000855496807	970421852	/nfs/dbraw/zinc/42/18/52/970421852.db2.gz	CKBIPOVUMUBWMB-UHFFFAOYSA-N	1	0	372.469	1.251	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncc3cccnc32)C1	ZINC001194825573	970446367	/nfs/dbraw/zinc/44/63/67/970446367.db2.gz	YDNNQYQWEMCIOW-IAGOWNOFSA-N	1	0	357.458	1.339	20	30		FDEDRO
CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC(=O)N(CCC#N)CCC#N)C1	ZINC000776824134	970552963	/nfs/dbraw/zinc/55/29/63/970552963.db2.gz	RVCBEFGZJQOOJR-HOTGVXAUSA-N	1	0	363.462	1.489	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nn(C)c2C)C1	ZINC001195091697	970680833	/nfs/dbraw/zinc/68/08/33/970680833.db2.gz	XCBTUJOXAASSAR-QZTJIDSGSA-N	1	0	350.507	1.711	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3cc(C)nn3c2C)C1	ZINC001195119251	970701515	/nfs/dbraw/zinc/70/15/15/970701515.db2.gz	DJJREGPURXPVRP-KBRIMQKVSA-N	1	0	357.458	1.476	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)c(C)n[nH]c2=O)C1	ZINC001195189875	970730658	/nfs/dbraw/zinc/73/06/58/970730658.db2.gz	LARNUHPJWLTKJJ-HUUCEWRRSA-N	1	0	350.463	1.544	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)nc(C(C)C)[nH]c2=O)C1	ZINC001195189967	970730985	/nfs/dbraw/zinc/73/09/85/970730985.db2.gz	NGFNCQBIKIWBML-BPLDGKMQSA-N	1	0	362.474	1.744	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2-n2cccc2)C1	ZINC001195172265	970749125	/nfs/dbraw/zinc/74/91/25/970749125.db2.gz	KIXPHBNDASQGKK-USXIJHARSA-N	1	0	357.458	1.340	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2nc(C(C)C)no2)C1	ZINC001195198127	970760856	/nfs/dbraw/zinc/76/08/56/970760856.db2.gz	MQNHRWBEYGTYSO-RBSFLKMASA-N	1	0	350.463	1.642	20	30		FDEDRO
Cc1ccc(C(=O)N2CC[N@@H+]3CC[C@@H]3C2)cc1C#Cc1cnc2cccnn12	ZINC001197918411	972547369	/nfs/dbraw/zinc/54/73/69/972547369.db2.gz	QZHRNKQSRBCZBB-HXUWFJFHSA-N	1	0	371.444	1.968	20	30		FDEDRO
COC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC(=O)NC2(C#N)CCCCC2)C1	ZINC000775812770	972723415	/nfs/dbraw/zinc/72/34/15/972723415.db2.gz	UHSQDOWYSVBACZ-GJZGRUSLSA-N	1	0	350.463	1.786	20	30		FDEDRO
CCCCCCCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O	ZINC001198087474	972740970	/nfs/dbraw/zinc/74/09/70/972740970.db2.gz	DGGSVFRGSRBIDT-KZNAEPCWSA-N	1	0	367.534	1.815	20	30		FDEDRO
CC1([NH+]2CCOCC2)CCN(Cn2cc3c(c(C#N)c2=O)CCCC3)CC1	ZINC000863311547	972786605	/nfs/dbraw/zinc/78/66/05/972786605.db2.gz	MYQIQXMMRMWCFN-UHFFFAOYSA-N	1	0	370.497	1.743	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+](CCOC3CCC3)C[C@H]2O)CCOCC1	ZINC001198239967	972928269	/nfs/dbraw/zinc/92/82/69/972928269.db2.gz	XVJXZBAYGYEQPM-IAGOWNOFSA-N	1	0	352.475	1.090	20	30		FDEDRO
C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]C[C@H](O)CC1(C#N)CCOCC1	ZINC000863558179	973016079	/nfs/dbraw/zinc/01/60/79/973016079.db2.gz	XUTYRXUVMBFBRK-RRFJBIMHSA-N	1	0	355.479	1.949	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cccs2)C1	ZINC001198353301	973049941	/nfs/dbraw/zinc/04/99/41/973049941.db2.gz	RDLNQLMLLNGPQI-HUUCEWRRSA-N	1	0	365.499	1.386	20	30		FDEDRO
N#Cc1ccc(Cc2nc(-c3ccc(N4CCC([NH3+])CC4)nc3)no2)cn1	ZINC000863655916	973092899	/nfs/dbraw/zinc/09/28/99/973092899.db2.gz	IBLAOAQCJVDNGJ-UHFFFAOYSA-N	1	0	361.409	1.917	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C(=O)C(C)C)C1	ZINC001198785413	973471716	/nfs/dbraw/zinc/47/17/16/973471716.db2.gz	OQASUMPZLCJBFD-KZNAEPCWSA-N	1	0	367.534	1.765	20	30		FDEDRO
C#CCC[NH2+][C@H](CNC(=O)[C@H]1CN(C)C[C@@H](C)O1)c1ccccc1OC	ZINC001198775130	973507806	/nfs/dbraw/zinc/50/78/06/973507806.db2.gz	FLTCWTBFFALBMO-SZVBFZGTSA-N	1	0	359.470	1.185	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2ccc(F)c(F)c2)C1	ZINC001198833355	973526219	/nfs/dbraw/zinc/52/62/19/973526219.db2.gz	CEKXFDSQVWDYPS-CSMYWGQOSA-N	1	0	354.397	1.432	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)nn(CC)c2Cl)C1	ZINC001198793268	973537123	/nfs/dbraw/zinc/53/71/23/973537123.db2.gz	SLLGVCQEQKHNCE-IACUBPJLSA-N	1	0	354.882	1.994	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc(C3CC3)nn2C)C1	ZINC001198871300	973642084	/nfs/dbraw/zinc/64/20/84/973642084.db2.gz	XGBXNIOUWSEMED-HZPDHXFCSA-N	1	0	363.506	1.367	20	30		FDEDRO
O=C(CC#Cc1ccccc1)N[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@H]1O	ZINC001198944536	973782432	/nfs/dbraw/zinc/78/24/32/973782432.db2.gz	HJGJPKMXJUGELY-XUVXKRRUSA-N	1	0	356.466	1.406	20	30		FDEDRO
O=C(CC#Cc1ccccc1)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1O	ZINC001198944932	973785060	/nfs/dbraw/zinc/78/50/60/973785060.db2.gz	RFOWXCBASWRUFA-NJDAHSKKSA-N	1	0	364.445	1.323	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC(=O)N(CC)CC)C1	ZINC001198950303	973792750	/nfs/dbraw/zinc/79/27/50/973792750.db2.gz	OSTJGPFJZUTANR-IAGOWNOFSA-N	1	0	355.523	1.767	20	30		FDEDRO
CNC(=O)NCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1	ZINC001110526302	973800469	/nfs/dbraw/zinc/80/04/69/973800469.db2.gz	CJYZFFLDUHBCKF-ZACQAIPSSA-N	1	0	355.442	1.099	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)N2CCCCC2=O)C1	ZINC001198991112	973814594	/nfs/dbraw/zinc/81/45/94/973814594.db2.gz	XNGCCONUYQZPEZ-GVDBMIGSSA-N	1	0	351.491	1.295	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)C2CCCCC2)C1	ZINC001198991104	973815586	/nfs/dbraw/zinc/81/55/86/973815586.db2.gz	XEIUMLUTPVEAOT-USXIJHARSA-N	1	0	351.491	1.199	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)c2cccc(OC)c2)C1	ZINC001199245966	974065909	/nfs/dbraw/zinc/06/59/09/974065909.db2.gz	QRDRNWXRCFPFTM-ATZDWAIDSA-N	1	0	362.470	1.553	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccc2c(C#N)c[nH]c2c1	ZINC000865106602	974097722	/nfs/dbraw/zinc/09/77/22/974097722.db2.gz	JKJWCLVPICECSK-SFHVURJKSA-N	1	0	367.453	1.712	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cc(I)nn2C)CC1	ZINC000865192795	974173687	/nfs/dbraw/zinc/17/36/87/974173687.db2.gz	DYFPZNRILYWPFA-UHFFFAOYSA-N	1	0	374.226	1.405	20	30		FDEDRO
C=C(C)C[C@H]1NC(=O)N(Cc2ccc(N3CC[NH+](CC)CC3)nc2)C1=O	ZINC000865297793	974217175	/nfs/dbraw/zinc/21/71/75/974217175.db2.gz	DJZQCALKEGWQBG-MRXNPFEDSA-N	1	0	357.458	1.610	20	30		FDEDRO
C=C(Cl)C[C@H]1NC(=O)N(Cc2ccc(N3CC[NH+](C)CC3)nc2)C1=O	ZINC000865299074	974218579	/nfs/dbraw/zinc/21/85/79/974218579.db2.gz	ROHQAYVJUUWYEJ-CQSZACIVSA-N	1	0	363.849	1.396	20	30		FDEDRO
C=C(Cl)C[C@@H]1NC(=O)N(Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1=O	ZINC000865304119	974221642	/nfs/dbraw/zinc/22/16/42/974221642.db2.gz	ATNRAEDRJRMPBQ-HOTGVXAUSA-N	1	0	363.845	1.816	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2=O)C1	ZINC001199422754	974240015	/nfs/dbraw/zinc/24/00/15/974240015.db2.gz	STLROSKKFKPVLR-ZHALLVOQSA-N	1	0	367.534	1.765	20	30		FDEDRO
C#C[C@@H](NS(=O)(=O)CCC[NH+](C)C)c1ccc(Br)cc1	ZINC000867317948	974251528	/nfs/dbraw/zinc/25/15/28/974251528.db2.gz	WROAGNKAGPYWPC-CQSZACIVSA-N	1	0	359.289	1.995	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)CC(C)C)C1	ZINC001199473456	974283708	/nfs/dbraw/zinc/28/37/08/974283708.db2.gz	IVLKSPANXFUIFD-IAGOWNOFSA-N	1	0	353.507	1.447	20	30		FDEDRO
N#Cc1cc([N+](=O)[O-])c(N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1F	ZINC000865508614	974332220	/nfs/dbraw/zinc/33/22/20/974332220.db2.gz	LHKYCTOMHSSRKX-UHFFFAOYSA-N	1	0	361.377	1.350	20	30		FDEDRO
C[C@@H]([NH3+])c1cc(F)c(N(C(=O)c2ccc(C#N)[nH]2)S(C)(=O)=O)c(F)c1	ZINC001199683807	974463217	/nfs/dbraw/zinc/46/32/17/974463217.db2.gz	HOOCJCDGZWHDSG-MRVPVSSYSA-N	1	0	368.365	1.791	20	30		FDEDRO
C=CCSc1ncccc1C(=O)NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+]	ZINC001199740524	974483162	/nfs/dbraw/zinc/48/31/62/974483162.db2.gz	VRTQTZUUYQQWAK-CPUCHLNUSA-N	1	0	351.472	1.814	20	30		FDEDRO
N#C[C@@]1(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CCCOC1	ZINC000865835457	974524478	/nfs/dbraw/zinc/52/44/78/974524478.db2.gz	ZTSSRJKJMJOSKI-FQEVSTJZSA-N	1	0	357.454	1.580	20	30		FDEDRO
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C(C)(C)C)nc1C)C2	ZINC001110545142	974598346	/nfs/dbraw/zinc/59/83/46/974598346.db2.gz	VRBQUQYWAXVXKD-OIISXLGYSA-N	1	0	371.485	1.031	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2cc(C(=O)OC(C)(C)C)nn2C)CC1	ZINC000866014729	974622815	/nfs/dbraw/zinc/62/28/15/974622815.db2.gz	DGYSWKJBCLNUOZ-UHFFFAOYSA-N	1	0	360.458	1.593	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC2(CC1)CC[NH+](C)CC2	ZINC000867336232	974658786	/nfs/dbraw/zinc/65/87/86/974658786.db2.gz	QLJQZFUYZUSPQQ-UHFFFAOYSA-N	1	0	368.481	1.851	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cc1ccc(F)cc1	ZINC001110550815	974732982	/nfs/dbraw/zinc/73/29/82/974732982.db2.gz	HGCFMTFGIACYRB-WCIQWLHISA-N	1	0	374.456	1.491	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)CCCO1	ZINC001200713906	974879162	/nfs/dbraw/zinc/87/91/62/974879162.db2.gz	QHWQAPKQKCFPCF-KSZLIROESA-N	1	0	356.507	1.968	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CCOCC3)C2)cc1C#N	ZINC001201336794	975018027	/nfs/dbraw/zinc/01/80/27/975018027.db2.gz	LZGSSWOPHQJUEF-QGZVFWFLSA-N	1	0	363.483	1.646	20	30		FDEDRO
CC[N@H+](CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(C)(C)CC(=O)N1CCCC1	ZINC001201587585	975089359	/nfs/dbraw/zinc/08/93/59/975089359.db2.gz	RQOVTDQWYNNGLN-GJZGRUSLSA-N	1	0	352.454	1.562	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CCOCC)C1	ZINC001201600643	975092081	/nfs/dbraw/zinc/09/20/81/975092081.db2.gz	IMDIUXPMIAUZBI-SQNIBIBYSA-N	1	0	354.491	1.601	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CCOC2CCC2)C1	ZINC001201621412	975100596	/nfs/dbraw/zinc/10/05/96/975100596.db2.gz	KTQOQEZGHNCRFF-QYZOEREBSA-N	1	0	366.502	1.744	20	30		FDEDRO
C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1	ZINC001201737070	975137450	/nfs/dbraw/zinc/13/74/50/975137450.db2.gz	SBBUHVHQWNBIGN-MOPGFXCFSA-N	1	0	365.518	1.413	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1	ZINC000867404296	975149356	/nfs/dbraw/zinc/14/93/56/975149356.db2.gz	KWMMZCKAVZUXJT-MOPGFXCFSA-N	1	0	355.482	1.796	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1	ZINC000847388597	975566293	/nfs/dbraw/zinc/56/62/93/975566293.db2.gz	FJJVFELMVUJMPA-INIZCTEOSA-N	1	0	361.486	1.990	20	30		FDEDRO
C=CCc1ccc(OS(=O)(=O)CCCN2CC[NH+](C)CC2)c(OC)c1	ZINC000866409043	975615448	/nfs/dbraw/zinc/61/54/48/975615448.db2.gz	SSYQWSLWOZJZSO-UHFFFAOYSA-N	1	0	368.499	1.770	20	30		FDEDRO
C#C[C@H]1CCCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1	ZINC000847559979	975824375	/nfs/dbraw/zinc/82/43/75/975824375.db2.gz	OIGFWVOHRCTSEW-KRWDZBQOSA-N	1	0	368.481	1.244	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)OC[C@H](C)[NH+]2CCCCC2)cc1	ZINC000847959826	976200952	/nfs/dbraw/zinc/20/09/52/976200952.db2.gz	VLAXTUBLDMIXBN-HNNXBMFYSA-N	1	0	364.467	1.629	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CNC1=O	ZINC001110601323	976713344	/nfs/dbraw/zinc/71/33/44/976713344.db2.gz	TUAGQFYILFMCGV-UPJWGTAASA-N	1	0	368.865	1.038	20	30		FDEDRO
C[NH+]1CCN(C2CCN(S(=O)(=O)c3cc(F)cc(C#N)c3)CC2)CC1	ZINC000867816966	976930101	/nfs/dbraw/zinc/93/01/01/976930101.db2.gz	PKPHMSSNJHKWRM-UHFFFAOYSA-N	1	0	366.462	1.098	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000867928132	977101110	/nfs/dbraw/zinc/10/11/10/977101110.db2.gz	WLSQNBNCPUQAGQ-NUJGCVRESA-N	1	0	354.454	1.508	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCCOc1ccc(Cl)cn1	ZINC000867958140	977141578	/nfs/dbraw/zinc/14/15/78/977141578.db2.gz	JUAPQFPHCVXBQJ-QGZVFWFLSA-N	1	0	356.813	1.989	20	30		FDEDRO
C[C@@H](N1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1)C(F)(F)F	ZINC000867958430	977142117	/nfs/dbraw/zinc/14/21/17/977142117.db2.gz	RHEMXIAVIABBJP-MLGOLLRUSA-N	1	0	366.387	1.840	20	30		FDEDRO
CC(=O)NCc1ccc(CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)cc1	ZINC000867983349	977167438	/nfs/dbraw/zinc/16/74/38/977167438.db2.gz	OJBYZACESFDGCZ-FQEVSTJZSA-N	1	0	362.433	1.698	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1C#N	ZINC000848937322	977261462	/nfs/dbraw/zinc/26/14/62/977261462.db2.gz	NNCORHRUCVIRIL-SJORKVTESA-N	1	0	370.453	1.316	20	30		FDEDRO
C[NH+]=C(NCCN1CCOCC1)NC[C@H](O)c1ccc(Cl)c(F)c1	ZINC000849018868	977291703	/nfs/dbraw/zinc/29/17/03/977291703.db2.gz	FUMAXSIWKZUNFQ-HNNXBMFYSA-N	1	0	358.845	1.010	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCOC[C@@H]3CCCO3)=[NH+]C[C@H]2C1	ZINC000849087074	977307979	/nfs/dbraw/zinc/30/79/79/977307979.db2.gz	UROPNIMDRJFLHE-GJZGRUSLSA-N	1	0	368.478	1.063	20	30		FDEDRO
CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(NCCN1CCOCC1)=[NH+]C	ZINC000849096030	977313097	/nfs/dbraw/zinc/31/30/97/977313097.db2.gz	XRJLIRZVUHABTF-OAHLLOKOSA-N	1	0	371.526	1.129	20	30		FDEDRO
C[NH+]=C(NCCc1c[nH]c2ccc(OC)cc12)NCCN1CCOCC1	ZINC000849097971	977314493	/nfs/dbraw/zinc/31/44/93/977314493.db2.gz	RUYPQOXKHTXRSU-UHFFFAOYSA-N	1	0	359.474	1.216	20	30		FDEDRO
C[NH+]=C(NCCc1cc(C(F)(F)F)ccn1)NCCN1CCOCC1	ZINC000849114212	977326319	/nfs/dbraw/zinc/32/63/19/977326319.db2.gz	YAEYJKDVJIUALN-UHFFFAOYSA-N	1	0	359.396	1.140	20	30		FDEDRO
CCOc1ccc(C[C@H](C)CNC(NCCN2CCOCC2)=[NH+]C)cc1	ZINC000849115927	977328964	/nfs/dbraw/zinc/32/89/64/977328964.db2.gz	DZNGCVRRYAXSQG-KRWDZBQOSA-N	1	0	362.518	1.761	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1	ZINC000868166783	977330165	/nfs/dbraw/zinc/33/01/65/977330165.db2.gz	NKVCIEXPHSJCRO-AWEZNQCLSA-N	1	0	373.354	1.809	20	30		FDEDRO
N#Cc1cccc([C@H](NC(=O)N2CCC([NH2+]CCO)CC2)C(F)(F)F)c1	ZINC000868209078	977346402	/nfs/dbraw/zinc/34/64/02/977346402.db2.gz	HBJZKPCKHUBQIQ-HNNXBMFYSA-N	1	0	370.375	1.918	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)cc1	ZINC000868216911	977353369	/nfs/dbraw/zinc/35/33/69/977353369.db2.gz	MAJHBYIQTVYZPU-RBUKOAKNSA-N	1	0	369.469	1.253	20	30		FDEDRO
C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCN(S(C)(=O)=O)C1	ZINC001110610882	977419732	/nfs/dbraw/zinc/41/97/32/977419732.db2.gz	XEULBLPAGQPLRR-HZMVEIRTSA-N	1	0	369.531	1.346	20	30		FDEDRO
C#CCNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F	ZINC001114423644	977642448	/nfs/dbraw/zinc/64/24/48/977642448.db2.gz	QEAFHUOBAQIPNY-SSZWKKLZSA-N	1	0	371.403	1.151	20	30		FDEDRO
Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2ccc(OCC#N)cc2)cn1	ZINC000849515656	977709139	/nfs/dbraw/zinc/70/91/39/977709139.db2.gz	HALMGZDPEAAFSG-RTBURBONSA-N	1	0	367.453	1.674	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccncc2C#N)[C@@H](c2cnn(C)c2)C1	ZINC000849546378	977727033	/nfs/dbraw/zinc/72/70/33/977727033.db2.gz	AGBJIBKZEBVLRL-DLBZAZTESA-N	1	0	352.442	1.561	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000967868676	1014447308	/nfs/dbraw/zinc/44/73/08/1014447308.db2.gz	QABXZJWUZGVAJQ-DOTOQJQBSA-N	1	0	357.458	1.290	20	30		FDEDRO
COC[C@H](C)Oc1ccc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1	ZINC000850137660	978198194	/nfs/dbraw/zinc/19/81/94/978198194.db2.gz	TWUOFOPWVOXJES-HLAUDOPJSA-N	1	0	359.426	1.716	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21	ZINC000850455166	978379147	/nfs/dbraw/zinc/37/91/47/978379147.db2.gz	XHBFRSYPVPAHRJ-CQSZACIVSA-N	1	0	355.360	1.914	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)cc1	ZINC000850667472	978585611	/nfs/dbraw/zinc/58/56/11/978585611.db2.gz	TWHGMMUBADCAFF-MRXNPFEDSA-N	1	0	357.454	1.874	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1CN(C(=O)C2CC[NH+](C)CC2)C1	ZINC000968001359	1014538864	/nfs/dbraw/zinc/53/88/64/1014538864.db2.gz	SHFKWNNNNWWOIP-ROUUACIJSA-N	1	0	363.502	1.369	20	30		FDEDRO
COCC[N@H+](Cc1ccc(C#N)cc1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000851739832	979023566	/nfs/dbraw/zinc/02/35/66/979023566.db2.gz	PRHXFGSSPDLEEP-FQEVSTJZSA-N	1	0	353.422	1.380	20	30		FDEDRO
C#CCNC(=O)CC[N@H+]1CC[C@@]2(C1)CN(Cc1ccccc1)C[C@@H](C)O2	ZINC000880498581	979245661	/nfs/dbraw/zinc/24/56/61/979245661.db2.gz	NCWUCBYTEAOXHS-WIYYLYMNSA-N	1	0	355.482	1.491	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([N@@H+]3C[C@H](O)CC4(CCOCC4)C3)C2=O)cc1	ZINC000880585491	979330496	/nfs/dbraw/zinc/33/04/96/979330496.db2.gz	XOGCVMLGIJPBBR-MSOLQXFVSA-N	1	0	355.438	1.527	20	30		FDEDRO
C#C[C@](C)(CC)[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852099715	979350369	/nfs/dbraw/zinc/35/03/69/979350369.db2.gz	DBWMHBDTOCIBQU-GOSISDBHSA-N	1	0	363.483	1.801	20	30		FDEDRO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1cc(C#N)c(F)cc1F	ZINC000880710967	979403438	/nfs/dbraw/zinc/40/34/38/979403438.db2.gz	YXIGXUKFFHYUAA-SNVBAGLBSA-N	1	0	351.357	1.420	20	30		FDEDRO
Cc1cccc([C@H](O)CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)c1	ZINC000128875999	979744798	/nfs/dbraw/zinc/74/47/98/979744798.db2.gz	XHOOCRLGMQHZPX-MRXNPFEDSA-N	1	0	362.474	1.896	20	30		FDEDRO
N#CCOc1ccc(Cl)cc1Cn1cc(CCN2CC[NH2+]CC2)nn1	ZINC000881303027	979820842	/nfs/dbraw/zinc/82/08/42/979820842.db2.gz	PUVBOMZMDJGNAK-UHFFFAOYSA-N	1	0	360.849	1.330	20	30		FDEDRO
N#CCOc1ccc(CC(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc1	ZINC000881472821	979966199	/nfs/dbraw/zinc/96/61/99/979966199.db2.gz	VZOLESSQABXMTE-GOSISDBHSA-N	1	0	357.454	1.891	20	30		FDEDRO
Cc1nc(C#N)cc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1	ZINC000881808427	980165743	/nfs/dbraw/zinc/16/57/43/980165743.db2.gz	SUXMODHJGHWRNC-UHFFFAOYSA-N	1	0	356.474	1.475	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1	ZINC000645620939	1014642387	/nfs/dbraw/zinc/64/23/87/1014642387.db2.gz	GIYASPNJIGFFFW-XJKSGUPXSA-N	1	0	371.441	1.095	20	30		FDEDRO
N#Cc1cnc(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(Br)c1	ZINC000881906265	980281561	/nfs/dbraw/zinc/28/15/61/980281561.db2.gz	KDVXXVZRVNMQCF-GFCCVEGCSA-N	1	0	366.263	1.715	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)n1cnc(C#N)n1	ZINC000882398011	980621454	/nfs/dbraw/zinc/62/14/54/980621454.db2.gz	SIQPJULAMXNCRG-WMLDXEAASA-N	1	0	365.441	1.634	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1	ZINC000882620723	980760970	/nfs/dbraw/zinc/76/09/70/980760970.db2.gz	SVNSMLNYUYHUJA-HUUCEWRRSA-N	1	0	351.476	1.318	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2F)CCN1c1cc[nH+]cc1	ZINC000882621229	980761595	/nfs/dbraw/zinc/76/15/95/980761595.db2.gz	PRWKZECESKXORQ-CYBMUJFWSA-N	1	0	360.414	1.992	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1	ZINC000968186669	1014730873	/nfs/dbraw/zinc/73/08/73/1014730873.db2.gz	UAUBEEUPYOFADC-KURKYZTESA-N	1	0	359.514	1.826	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](O)COC)cc1	ZINC001110725428	981601656	/nfs/dbraw/zinc/60/16/56/981601656.db2.gz	ZSXBOWWXLHRCFM-JFRXWTBNSA-N	1	0	360.454	1.594	20	30		FDEDRO
C=CCN1CC[C@@H](N2[C@@H]3CC[C@H]2[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C3)C1=O	ZINC001110738850	981745671	/nfs/dbraw/zinc/74/56/71/981745671.db2.gz	WNLJXVFQWNOVQU-WCXIOVBPSA-N	1	0	362.518	1.225	20	30		FDEDRO
CN(C)c1cc(F)c(C[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1F	ZINC000858137014	981854142	/nfs/dbraw/zinc/85/41/42/981854142.db2.gz	CWGFPDVTFAJLAG-WUKNDPDISA-N	1	0	350.369	1.647	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)CC1	ZINC000883046236	981910620	/nfs/dbraw/zinc/91/06/20/981910620.db2.gz	CKHTXYLYAGUEQY-IRXDYDNUSA-N	1	0	368.399	1.982	20	30		FDEDRO
C=C(C)C[C@@H](CO)NC(=O)NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C	ZINC000883055893	981916355	/nfs/dbraw/zinc/91/63/55/981916355.db2.gz	VVVWXUBKQKZYMH-JKSUJKDBSA-N	1	0	365.474	1.933	20	30		FDEDRO
C#CC[C@H](COC)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1	ZINC000858334286	981992865	/nfs/dbraw/zinc/99/28/65/981992865.db2.gz	LHPAESRVQHTRKB-LLVKDONJSA-N	1	0	361.261	1.224	20	30		FDEDRO
C=C(C)C[C@H](CO)NC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000883308578	982064860	/nfs/dbraw/zinc/06/48/60/982064860.db2.gz	SXVWEVOBDVUKIB-QGZVFWFLSA-N	1	0	362.474	1.104	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1	ZINC000883452700	982159738	/nfs/dbraw/zinc/15/97/38/982159738.db2.gz	BQJVGQYTULURSH-UHFFFAOYSA-N	1	0	355.482	1.645	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1	ZINC000883533503	982250583	/nfs/dbraw/zinc/25/05/83/982250583.db2.gz	PSMQBGWCDIDQBY-ROUUACIJSA-N	1	0	363.502	1.314	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCOCC(F)(F)F)C2	ZINC001110756182	982303683	/nfs/dbraw/zinc/30/36/83/982303683.db2.gz	NHQXWELZSLEFKR-MCIONIFRSA-N	1	0	350.381	1.880	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)n1	ZINC000858872129	982344499	/nfs/dbraw/zinc/34/44/99/982344499.db2.gz	QDNKQWFMNSFONX-IBGZPJMESA-N	1	0	373.501	1.691	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C	ZINC000859028333	982467280	/nfs/dbraw/zinc/46/72/80/982467280.db2.gz	OCSFTYQXBCLVDL-JKSUJKDBSA-N	1	0	363.458	1.644	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1	ZINC000859033840	982469893	/nfs/dbraw/zinc/46/98/93/982469893.db2.gz	NRCXMCOPRPWYLL-SFHVURJKSA-N	1	0	359.470	1.481	20	30		FDEDRO
COc1ccc(N2CC[NH+](C[C@@H](O)CC3(C#N)CCOCC3)CC2)cc1	ZINC000859056231	982489386	/nfs/dbraw/zinc/48/93/86/982489386.db2.gz	ULUXJNROLAQDBK-SFHVURJKSA-N	1	0	359.470	1.889	20	30		FDEDRO
CC(C)(C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(C#N)cc1	ZINC000859099590	982527340	/nfs/dbraw/zinc/52/73/40/982527340.db2.gz	SHJKRKLXCANLGK-INIZCTEOSA-N	1	0	356.470	1.539	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)C(=O)N(CC)CC)CC1	ZINC001202559370	982530056	/nfs/dbraw/zinc/53/00/56/982530056.db2.gz	BMUYVQCVQAEFCY-UAGQMJEPSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=CCNC(=O)N1CC[C@@H]([NH+]2CCC(NC(=O)OC(C)(C)C)CC2)C1	ZINC001202569480	982597452	/nfs/dbraw/zinc/59/74/52/982597452.db2.gz	GCIQUSLUFGIRBR-OAHLLOKOSA-N	1	0	352.479	1.945	20	30		FDEDRO
COc1cc2c(cc1OC)CN(C(=O)C1CC3(C1)C[NH2+]C[C@@H]3C#N)CC2	ZINC000884051165	982765882	/nfs/dbraw/zinc/76/58/82/982765882.db2.gz	XMEGLPUMRQIGGP-NGEICVOHSA-N	1	0	355.438	1.728	20	30		FDEDRO
Cc1cccc(NC(=O)CN(C)C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c1C	ZINC000884054489	982774010	/nfs/dbraw/zinc/77/40/10/982774010.db2.gz	HIMOGJXDWHQUOL-LFDOHDQPSA-N	1	0	354.454	1.840	20	30		FDEDRO
C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884058235	982786396	/nfs/dbraw/zinc/78/63/96/982786396.db2.gz	FEQLCOTYPWFUOT-UVYBKSOCSA-N	1	0	364.453	1.926	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(C(=O)N3CCCC3)cc1)C2	ZINC000884066066	982810615	/nfs/dbraw/zinc/81/06/15/982810615.db2.gz	JZOQSECXKSDYLI-IDYZSHNDSA-N	1	0	366.465	1.678	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCC1(c3ccccc3)CCOCC1)C2	ZINC000884090188	982851117	/nfs/dbraw/zinc/85/11/17/982851117.db2.gz	MIQUKMJNHKRYIY-NCYVPVAZSA-N	1	0	353.466	1.990	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCC(CC(=O)NC3CCCC3)CC1)C2	ZINC000884104730	982871917	/nfs/dbraw/zinc/87/19/17/982871917.db2.gz	UCDAHDHBLJCVOT-BATSVXPKSA-N	1	0	372.513	1.813	20	30		FDEDRO
COCCn1ncc2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)cc21	ZINC000884105340	982872989	/nfs/dbraw/zinc/87/29/89/982872989.db2.gz	LQHZJEFKTCBKQR-HVEKOLDVSA-N	1	0	353.426	1.761	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCN(C(=O)C3CCCCC3)CC1)C2	ZINC000884107692	982878141	/nfs/dbraw/zinc/87/81/41/982878141.db2.gz	CKWFHQFCLANDMC-OHTSDLOESA-N	1	0	358.486	1.377	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)N[C@@H](c2nnc3ccccn32)C(C)C)C1	ZINC000884115354	982891866	/nfs/dbraw/zinc/89/18/66/982891866.db2.gz	OYYACLFNOGVSMM-DOTOQJQBSA-N	1	0	354.458	1.823	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2C)CC1	ZINC000331525535	982904156	/nfs/dbraw/zinc/90/41/56/982904156.db2.gz	AKPGNRPGVGGEKD-ZWKOTPCHSA-N	1	0	361.490	1.898	20	30		FDEDRO
CC[C@H](C(=O)OCC#CCN1C(=O)c2ccccc2C1=O)[NH+](CC)CC	ZINC000859568060	982921856	/nfs/dbraw/zinc/92/18/56/982921856.db2.gz	YXIFMVRXEDPMFV-QGZVFWFLSA-N	1	0	356.422	1.950	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCC(=O)OCc1ccccc1Cl)C2	ZINC000884139209	982922098	/nfs/dbraw/zinc/92/20/98/982922098.db2.gz	MRAHGJIBQKXZLS-FVRSWCFKSA-N	1	0	361.829	1.639	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCc1nc(C(F)(F)F)cs1)C2	ZINC000884156159	982933365	/nfs/dbraw/zinc/93/33/65/982933365.db2.gz	UVZYRWUVOXDVIB-OPASDULOSA-N	1	0	358.389	1.960	20	30		FDEDRO
CCOc1cc(C(=O)N(C)C)ccc1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884163369	982939353	/nfs/dbraw/zinc/93/93/53/982939353.db2.gz	DWGNXJMWVYGAAL-RDYUPDBUSA-N	1	0	370.453	1.865	20	30		FDEDRO
COCCOc1cc(C)ccc1CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884163067	982939424	/nfs/dbraw/zinc/93/94/24/982939424.db2.gz	VWHABQCCKWUFQH-GNZRSQJKSA-N	1	0	357.454	1.776	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1nnc(-c3ccccc3)s1)C2	ZINC000884168044	982943326	/nfs/dbraw/zinc/94/33/26/982943326.db2.gz	WGSUEVPEVXWQKG-TXKKKEFDSA-N	1	0	353.451	1.961	20	30		FDEDRO
N#Cc1cccc(NC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1	ZINC000859615701	982944214	/nfs/dbraw/zinc/94/42/14/982944214.db2.gz	JUVLLEAXARZACE-CVEARBPZSA-N	1	0	355.398	1.347	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)NC[C@@H](CC)[N@@H+]1CCc2ccccc2C1	ZINC000884188293	982964116	/nfs/dbraw/zinc/96/41/16/982964116.db2.gz	DFYPFHOAPBAOKD-MSOLQXFVSA-N	1	0	359.470	1.386	20	30		FDEDRO
CNC(=O)c1ccn([C@H]2CCC[N@H+](CCCC3(C#N)CCOCC3)C2)n1	ZINC000332156279	983004983	/nfs/dbraw/zinc/00/49/83/983004983.db2.gz	NYTCHSNBYPYHCE-INIZCTEOSA-N	1	0	359.474	1.980	20	30		FDEDRO
C=CC[C@@H]1N(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CCCC1(C)C	ZINC000332255347	983025405	/nfs/dbraw/zinc/02/54/05/983025405.db2.gz	BAXFLEGOAPVCPU-IRXDYDNUSA-N	1	0	362.518	1.086	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)N(C)C1	ZINC000332344101	983039288	/nfs/dbraw/zinc/03/92/88/983039288.db2.gz	TZBFZTQKSBSZPE-ROUUACIJSA-N	1	0	356.470	1.380	20	30		FDEDRO
CCc1cc(N2CCC[C@@H](NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)C2)ncn1	ZINC000884311611	983074855	/nfs/dbraw/zinc/07/48/55/983074855.db2.gz	HIOKBCGVWOGAOA-WAGVIYRNSA-N	1	0	368.485	1.263	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCCN(c3ccccc3F)C1=O)C2	ZINC000884321710	983082857	/nfs/dbraw/zinc/08/28/57/983082857.db2.gz	WFMBREYRBVGRDL-HLODAQRYSA-N	1	0	370.428	1.577	20	30		FDEDRO
Cc1ccc(CN2CC[C@H](NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)C2=O)cc1	ZINC000884321962	983083845	/nfs/dbraw/zinc/08/38/45/983083845.db2.gz	CCTXDMVWTCRTPH-IOBOIYPZSA-N	1	0	366.465	1.352	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)c1cccc(C#N)c1	ZINC000884617781	983279507	/nfs/dbraw/zinc/27/95/07/983279507.db2.gz	SIEBIWDWPGFEBN-ZLKJLUDKSA-N	1	0	368.359	1.331	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)n1	ZINC000861679174	983820054	/nfs/dbraw/zinc/82/00/54/983820054.db2.gz	GZDQGSXIBKQHBW-KRWDZBQOSA-N	1	0	364.453	1.568	20	30		FDEDRO
CCCCCCCNC(=O)C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1	ZINC000861785181	983919573	/nfs/dbraw/zinc/91/95/73/983919573.db2.gz	DOPLAIDBIYYYMH-IRXDYDNUSA-N	1	0	353.507	1.818	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1	ZINC000862196684	984235670	/nfs/dbraw/zinc/23/56/70/984235670.db2.gz	SNXSMJHAWWYNTN-SFHVURJKSA-N	1	0	357.454	1.418	20	30		FDEDRO
CC(=O)NCC(=O)N1CCC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)CC1	ZINC000862505104	984401908	/nfs/dbraw/zinc/40/19/08/984401908.db2.gz	YMCICMIKQCYVDY-UHFFFAOYSA-N	1	0	371.485	1.207	20	30		FDEDRO
C=CCCC[C@H](NC(=O)C(=O)NCC1([NH3+])CCOCC1)c1ccccc1	ZINC000884808368	984817083	/nfs/dbraw/zinc/81/70/83/984817083.db2.gz	TTXFXWODNRQTSM-KRWDZBQOSA-N	1	0	359.470	1.824	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1	ZINC000884855761	984893141	/nfs/dbraw/zinc/89/31/41/984893141.db2.gz	PVDJFRQZGLJSTF-IAGOWNOFSA-N	1	0	365.518	1.840	20	30		FDEDRO
C#CCN(C(=O)NC[C@H](n1cncn1)C(F)(F)F)C1CC[NH+](C)CC1	ZINC000923613948	985267109	/nfs/dbraw/zinc/26/71/09/985267109.db2.gz	OSGDJXXTORSUCA-ZDUSSCGKSA-N	1	0	358.368	1.121	20	30		FDEDRO
C[C@@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)c1cccc(F)c1C#N	ZINC000885845557	985691458	/nfs/dbraw/zinc/69/14/58/985691458.db2.gz	MPSQBCRURICHQL-CYBMUJFWSA-N	1	0	360.414	1.992	20	30		FDEDRO
C[C@@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000885845656	985692245	/nfs/dbraw/zinc/69/22/45/985692245.db2.gz	OOBODFZETPWXSB-OAHLLOKOSA-N	1	0	356.451	1.994	20	30		FDEDRO
N#CC1(C[C@@H](O)CN2CCC[N@H+](C[C@@H](O)CC3(C#N)CCC3)CC2)CCC1	ZINC000885940667	985790232	/nfs/dbraw/zinc/79/02/32/985790232.db2.gz	OUTHXTCNLOSOBC-KDURUIRLSA-N	1	0	374.529	1.884	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccn1)C(=O)C#Cc1ccc2c(c1)OCO2	ZINC000136857823	985893664	/nfs/dbraw/zinc/89/36/64/985893664.db2.gz	BSOHPBWIFQUOSZ-UHFFFAOYSA-N	1	0	351.406	1.752	20	30		FDEDRO
C#CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C1	ZINC000886361513	986100590	/nfs/dbraw/zinc/10/05/90/986100590.db2.gz	KJIMRDVTUMDZEB-UONOGXRCSA-N	1	0	357.410	1.840	20	30		FDEDRO
C#CCN(C(=O)c1c(C)nn(Cc2ccccc2)c1N)C1CC[NH+](C)CC1	ZINC000886575732	986376236	/nfs/dbraw/zinc/37/62/36/986376236.db2.gz	HWGQPELLAGTNGI-UHFFFAOYSA-N	1	0	365.481	1.992	20	30		FDEDRO
C#CCN(C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1CC[NH+](C)CC1	ZINC000886578798	986380356	/nfs/dbraw/zinc/38/03/56/986380356.db2.gz	MAKFBFSEROBFQW-GOSISDBHSA-N	1	0	370.409	1.644	20	30		FDEDRO
C#CCN(C(=O)CCCNC(=O)c1ccc(OC)cc1)C1CC[NH+](C)CC1	ZINC000886583279	986388014	/nfs/dbraw/zinc/38/80/14/986388014.db2.gz	JNKLAKKGIUMGIZ-UHFFFAOYSA-N	1	0	371.481	1.761	20	30		FDEDRO
C#CCN(C(=O)c1ccc2c(c1)C(=O)N(CC=C)C2=O)C1CC[NH+](C)CC1	ZINC000886587464	986393600	/nfs/dbraw/zinc/39/36/00/986393600.db2.gz	XLJQKKGPCAXMNK-UHFFFAOYSA-N	1	0	365.433	1.638	20	30		FDEDRO
C#CCN(C(=O)c1ccc(N2C(=O)CCC2=O)cc1)C1CC[NH+](C)CC1	ZINC000886589268	986397902	/nfs/dbraw/zinc/39/79/02/986397902.db2.gz	OTDNCPYVBLQNLG-UHFFFAOYSA-N	1	0	353.422	1.510	20	30		FDEDRO
C#CCN1CCC[C@@H]([NH2+][C@@H](C)CC(=O)N2CCC(C(=O)OCC)CC2)C1	ZINC000886663334	986466913	/nfs/dbraw/zinc/46/69/13/986466913.db2.gz	YJPKFUSBUYHAFL-FUHWJXTLSA-N	1	0	363.502	1.254	20	30		FDEDRO
CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)C1(C)C	ZINC000870981713	986559122	/nfs/dbraw/zinc/55/91/22/986559122.db2.gz	QKTSJOURVPIKNL-FXAWDEMLSA-N	1	0	356.470	1.739	20	30		FDEDRO
C=CCC1(O)CC[NH+](C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)CC1	ZINC000886778701	986580886	/nfs/dbraw/zinc/58/08/86/986580886.db2.gz	OZUBLKCDZCMXNB-MRXNPFEDSA-N	1	0	360.454	1.714	20	30		FDEDRO
C=CCn1c([C@H]2CCCCO2)nnc1N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000871051831	986618815	/nfs/dbraw/zinc/61/88/15/986618815.db2.gz	BWXBWFLKTBAAPL-GOSISDBHSA-N	1	0	374.533	1.922	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(Cc2nc([C@H]3CCC[NH2+]3)no2)s1	ZINC000871788787	987242312	/nfs/dbraw/zinc/24/23/12/987242312.db2.gz	RBRQRUIDGBGXEW-LLVKDONJSA-N	1	0	354.457	1.611	20	30		FDEDRO
N#CCc1ccc(CS(=O)(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1	ZINC000871813035	987264281	/nfs/dbraw/zinc/26/42/81/987264281.db2.gz	NQFHVNMKELZXLO-KBPBESRZSA-N	1	0	361.389	1.651	20	30		FDEDRO
C#CCC[NH+]1CCC(NS(=O)(=O)c2ccc(OC(C)C)nc2)CC1	ZINC000872006374	987437837	/nfs/dbraw/zinc/43/78/37/987437837.db2.gz	DUJPKOHUAJISQF-UHFFFAOYSA-N	1	0	351.472	1.635	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CC(=O)c3ccccc3O2)cc1	ZINC000872233747	987532326	/nfs/dbraw/zinc/53/23/26/987532326.db2.gz	WJVHDCGHSXMRNV-WBVHZDCISA-N	1	0	352.390	1.922	20	30		FDEDRO
C[NH+]1CCC(CN=Nc2ccc(S(=O)(=O)NC(C)(C)C)cn2)CC1	ZINC000872342668	987612605	/nfs/dbraw/zinc/61/26/05/987612605.db2.gz	UVROPLKHZGZWLD-UHFFFAOYSA-N	1	0	353.492	1.898	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)N[C@@H](C)CCN1CC[NH+](C)CC1	ZINC000872478134	987702419	/nfs/dbraw/zinc/70/24/19/987702419.db2.gz	RXDDVMIIKLAYHG-HNNXBMFYSA-N	1	0	350.488	1.171	20	30		FDEDRO
CC[N@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)[C@@H](C)CO	ZINC000292859377	987917390	/nfs/dbraw/zinc/91/73/90/987917390.db2.gz	ADWSJZNGSCXRMJ-YJBOKZPZSA-N	1	0	362.449	1.237	20	30		FDEDRO
C[C@@H](C#N)CN(C)C(=O)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1	ZINC000298865527	987918834	/nfs/dbraw/zinc/91/88/34/987918834.db2.gz	YBFBXFKGYQRIMB-SFHVURJKSA-N	1	0	370.497	1.772	20	30		FDEDRO
C[C@H](C#N)CN(C)C(=O)C(=O)N(CCCc1ccccc1)CC[NH+](C)C	ZINC000298973596	987994325	/nfs/dbraw/zinc/99/43/25/987994325.db2.gz	GALRIYQGNBHIGR-QGZVFWFLSA-N	1	0	358.486	1.627	20	30		FDEDRO
C#CCOc1ccc(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)cc1	ZINC000124259079	988085568	/nfs/dbraw/zinc/08/55/68/988085568.db2.gz	UOGKOLWAPDFNPJ-UHFFFAOYSA-N	1	0	353.422	1.964	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC1	ZINC000872901709	988261209	/nfs/dbraw/zinc/26/12/09/988261209.db2.gz	GUXANHVLQPHFKJ-UHFFFAOYSA-N	1	0	354.458	1.435	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)CC2)cn1	ZINC000872902393	988263250	/nfs/dbraw/zinc/26/32/50/988263250.db2.gz	NTNWWWFWFLYMPX-KRWDZBQOSA-N	1	0	354.458	1.269	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC000872927757	988294987	/nfs/dbraw/zinc/29/49/87/988294987.db2.gz	ZLOJHZJKPPTDTG-DLBZAZTESA-N	1	0	370.501	1.905	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cn2)C[N@@H+]1Cc1ccccc1	ZINC000294096423	988305194	/nfs/dbraw/zinc/30/51/94/988305194.db2.gz	MYFGZNPLWVFDOX-WMLDXEAASA-N	1	0	363.421	1.671	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)CC2)C1	ZINC000361247254	988309988	/nfs/dbraw/zinc/30/99/88/988309988.db2.gz	WTRCFCBYFZLBRG-GOSISDBHSA-N	1	0	370.497	1.954	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)NC[C@H]3CC[N@@H+]3C3CCCC3)CC2)cn1	ZINC000873084167	988520967	/nfs/dbraw/zinc/52/09/67/988520967.db2.gz	VQTXKPCCOBIOCI-LJQANCHMSA-N	1	0	368.485	1.802	20	30		FDEDRO
C[C@@H]1CN(CC(=O)NC2(C#N)CCCCC2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000362079214	988575446	/nfs/dbraw/zinc/57/54/46/988575446.db2.gz	OZERTGPFUMRDPI-MSOLQXFVSA-N	1	0	361.534	1.287	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000366259118	988581043	/nfs/dbraw/zinc/58/10/43/988581043.db2.gz	YAJUKWHKFDRWEK-IRXDYDNUSA-N	1	0	373.457	1.227	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000362412758	988657285	/nfs/dbraw/zinc/65/72/85/988657285.db2.gz	IDSAQUBUSCSMIF-APWZRJJASA-N	1	0	355.486	1.726	20	30		FDEDRO
N#CCCn1cc(C[N@@H+]2CC[C@H]3C(=O)NC(=O)[C@H]3C2)c(-c2ccccc2)n1	ZINC000366486818	988713625	/nfs/dbraw/zinc/71/36/25/988713625.db2.gz	YJQRXIDPQZGWII-SJORKVTESA-N	1	0	363.421	1.558	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)OCCC[NH+]2CCCC2)s1	ZINC000873494890	988821988	/nfs/dbraw/zinc/82/19/88/988821988.db2.gz	SHGZLRCYPYSPIV-UHFFFAOYSA-N	1	0	372.512	1.784	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)Cc1cccc(OCC#N)c1	ZINC000366878148	988830298	/nfs/dbraw/zinc/83/02/98/988830298.db2.gz	PFGCKHXWTJNHKR-BHIYHBOVSA-N	1	0	357.454	1.842	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCc2cccc(C#N)c2)CC1	ZINC000366992402	988884179	/nfs/dbraw/zinc/88/41/79/988884179.db2.gz	ZBTBMKBGXPXFHA-SFHVURJKSA-N	1	0	369.469	1.049	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NCCC[NH+]2CCCCCC2)cc1C#N	ZINC000873654808	988941366	/nfs/dbraw/zinc/94/13/66/988941366.db2.gz	WBZWSLFJKBMKOU-UHFFFAOYSA-N	1	0	358.442	1.888	20	30		FDEDRO
N#CC1(NC(=O)CN2CCC(CC[NH+]3CCOCC3)CC2)CCCCC1	ZINC000363142345	988949048	/nfs/dbraw/zinc/94/90/48/988949048.db2.gz	KUSZFIFOGRUCHV-UHFFFAOYSA-N	1	0	362.518	1.763	20	30		FDEDRO
COCC[NH+]1CCC(NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)CC1	ZINC000363150570	988954600	/nfs/dbraw/zinc/95/46/00/988954600.db2.gz	SFIBRCANMNBASZ-LJQANCHMSA-N	1	0	372.469	1.752	20	30		FDEDRO
N#CCNC(=O)CNC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2	ZINC000367582135	988956964	/nfs/dbraw/zinc/95/69/64/988956964.db2.gz	ZXNZAYWVWGSDFO-HXUWFJFHSA-N	1	0	369.469	1.324	20	30		FDEDRO
C[N@H+](CC1CCOCC1)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O	ZINC000124632814	989006303	/nfs/dbraw/zinc/00/63/03/989006303.db2.gz	UPMLLAHGNOBRDB-UHFFFAOYSA-N	1	0	356.426	1.638	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1C#N	ZINC000873708501	989032480	/nfs/dbraw/zinc/03/24/80/989032480.db2.gz	RMPIDUFGGDIAEF-QGZVFWFLSA-N	1	0	370.453	1.982	20	30		FDEDRO
N#CCCN(C(=O)CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccccc1	ZINC000369276595	989042103	/nfs/dbraw/zinc/04/21/03/989042103.db2.gz	BKLHUJQZMAITKJ-RTBURBONSA-N	1	0	356.470	1.464	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)CC1	ZINC000369590276	989062121	/nfs/dbraw/zinc/06/21/21/989062121.db2.gz	DGSKGYQCTWXXDD-MRXNPFEDSA-N	1	0	369.465	1.652	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cc1	ZINC000296246408	989068486	/nfs/dbraw/zinc/06/84/86/989068486.db2.gz	CBWPHZIVQBKUAR-QGZVFWFLSA-N	1	0	360.458	1.571	20	30		FDEDRO
Cc1cc(F)c(C#N)cc1NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1	ZINC000873745851	989107312	/nfs/dbraw/zinc/10/73/12/989107312.db2.gz	QLWGVTKEDOGESI-KRWDZBQOSA-N	1	0	364.446	1.498	20	30		FDEDRO
N#Cc1ncn(C2CC[NH+](CC(=O)N3CCC[C@H]4CCCC[C@H]43)CC2)n1	ZINC000369729458	989125823	/nfs/dbraw/zinc/12/58/23/989125823.db2.gz	KPPQWXZVCUDQNH-NVXWUHKLSA-N	1	0	356.474	1.968	20	30		FDEDRO
C[C@H](C(=O)Nc1ccccc1C#N)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1	ZINC000363417492	989179616	/nfs/dbraw/zinc/17/96/16/989179616.db2.gz	IWIPHEIGVPEPPE-SJLPKXTDSA-N	1	0	355.486	1.597	20	30		FDEDRO
Cn1cc([C@@H]2[C@H](CNC(=O)Nc3ccn(CCC#N)n3)CCC[N@@H+]2C)cn1	ZINC000363422703	989184967	/nfs/dbraw/zinc/18/49/67/989184967.db2.gz	IQLNBVDVONMAHS-YOEHRIQHSA-N	1	0	370.461	1.735	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)NCc1ccc(CN2CCCC2=O)cc1	ZINC000296418819	989192802	/nfs/dbraw/zinc/19/28/02/989192802.db2.gz	SERZAEPXMHIORF-UHFFFAOYSA-N	1	0	356.470	1.563	20	30		FDEDRO
Cc1nc(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)ccc1C#N	ZINC000369820492	989213339	/nfs/dbraw/zinc/21/33/39/989213339.db2.gz	VDAGAANGJDPAMS-QAPCUYQASA-N	1	0	352.442	1.808	20	30		FDEDRO
N#Cc1ccc(-c2nnc(CN3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)o2)cc1	ZINC000369825201	989218807	/nfs/dbraw/zinc/21/88/07/989218807.db2.gz	GXQUDOBRXLNJMZ-SJORKVTESA-N	1	0	353.426	1.639	20	30		FDEDRO
C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1)C1CC1	ZINC000363480423	989234299	/nfs/dbraw/zinc/23/42/99/989234299.db2.gz	CQGDAIDBYKWYQL-JXFKEZNVSA-N	1	0	360.502	1.909	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1C#N	ZINC000873819074	989252122	/nfs/dbraw/zinc/25/21/22/989252122.db2.gz	KDYSJOVDFOFUKB-QGZVFWFLSA-N	1	0	370.453	1.982	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)CC1	ZINC000363551468	989292061	/nfs/dbraw/zinc/29/20/61/989292061.db2.gz	OYRSTFGVCRHMTP-IBGZPJMESA-N	1	0	367.493	1.947	20	30		FDEDRO
CN1CCC([N@@H+]2CC[C@H](NC(=O)NCc3cc(C#N)ccc3F)C2)CC1	ZINC000363572729	989314116	/nfs/dbraw/zinc/31/41/16/989314116.db2.gz	IVBUXZSZCRRPCL-INIZCTEOSA-N	1	0	359.449	1.665	20	30		FDEDRO
CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)C1	ZINC000369938690	989325011	/nfs/dbraw/zinc/32/50/11/989325011.db2.gz	VWDQNMMFQQIFLI-AEFFLSMTSA-N	1	0	355.486	1.936	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1C#N	ZINC000873880913	989382367	/nfs/dbraw/zinc/38/23/67/989382367.db2.gz	WKVNRCUPMZTZTI-BBRMVZONSA-N	1	0	356.426	1.591	20	30		FDEDRO
C[N@H+](CC(=O)Nc1cccc(C#N)c1)C1CCN(c2cnccn2)CC1	ZINC000370050281	989413721	/nfs/dbraw/zinc/41/37/21/989413721.db2.gz	ORBYGOBTNGEFSM-UHFFFAOYSA-N	1	0	350.426	1.888	20	30		FDEDRO
COCCN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1cc(C#N)ccc1C	ZINC000873971074	989549944	/nfs/dbraw/zinc/54/99/44/989549944.db2.gz	IDDDMJZKLXROHT-UHFFFAOYSA-N	1	0	372.469	1.622	20	30		FDEDRO
N#Cc1ccsc1NC(=O)C(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2	ZINC000873972941	989553985	/nfs/dbraw/zinc/55/39/85/989553985.db2.gz	FZBUOPXGWKBYOB-UHFFFAOYSA-N	1	0	366.446	1.903	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)C1=O	ZINC000370242925	989585087	/nfs/dbraw/zinc/58/50/87/989585087.db2.gz	LCZZGMFPHQGOBM-CABCVRRESA-N	1	0	368.466	1.774	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)COc1ccc(C#N)cc1	ZINC000364540638	989635782	/nfs/dbraw/zinc/63/57/82/989635782.db2.gz	CTAMXZJCOLNAPZ-ATZDWAIDSA-N	1	0	357.454	1.943	20	30		FDEDRO
Cc1ccn2c(c1)nnc2C1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1	ZINC000364599107	989671241	/nfs/dbraw/zinc/67/12/41/989671241.db2.gz	LFISJKCVZXYOME-OAHLLOKOSA-N	1	0	354.458	1.978	20	30		FDEDRO
N#Cc1cccnc1N1CCC[N@@H+](C[C@@H](O)COC2CCOCC2)CC1	ZINC000370386399	989706689	/nfs/dbraw/zinc/70/66/89/989706689.db2.gz	LPSAEWFDPRUJTJ-QGZVFWFLSA-N	1	0	360.458	1.022	20	30		FDEDRO
C=CCN(CCc1ccco1)C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1	ZINC000297824541	989711948	/nfs/dbraw/zinc/71/19/48/989711948.db2.gz	QFCFTENEJBHJQO-KRWDZBQOSA-N	1	0	359.470	1.924	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](n2ncc3ccccc32)C1	ZINC000364693186	989721160	/nfs/dbraw/zinc/72/11/60/989721160.db2.gz	GHQHISGJRXNEQQ-KRWDZBQOSA-N	1	0	350.426	1.939	20	30		FDEDRO
C[C@@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](C)[N@H+]1CCO	ZINC000364821161	989813870	/nfs/dbraw/zinc/81/38/70/989813870.db2.gz	KMUJDFBJBSNNDD-IYBDPMFKSA-N	1	0	353.470	1.846	20	30		FDEDRO
C[C@H](C#N)CN(C)C(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000298045517	989859898	/nfs/dbraw/zinc/85/98/98/989859898.db2.gz	PMUMPJOYKOTNOU-SJORKVTESA-N	1	0	356.470	1.727	20	30		FDEDRO
C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3cc(C#N)cn3C(C)(C)C)CC[C@@H]21	ZINC000874173777	989878471	/nfs/dbraw/zinc/87/84/71/989878471.db2.gz	IOXQWKKZXNHARD-GJZGRUSLSA-N	1	0	357.458	1.606	20	30		FDEDRO
CN(C(=O)Cc1ccc(OCC#N)cc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000370820106	990013805	/nfs/dbraw/zinc/01/38/05/990013805.db2.gz	NQIFLYLBTUZLNE-IBGZPJMESA-N	1	0	370.497	1.758	20	30		FDEDRO
COCC[N@H+](C)CCCNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C	ZINC000298371056	990076371	/nfs/dbraw/zinc/07/63/71/990076371.db2.gz	FJOLBMANFIORCV-UHFFFAOYSA-N	1	0	372.473	1.235	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21	ZINC000298569116	990163527	/nfs/dbraw/zinc/16/35/27/990163527.db2.gz	HESQLPHAPHDSEH-QZTJIDSGSA-N	1	0	354.454	1.459	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000874368170	990195866	/nfs/dbraw/zinc/19/58/66/990195866.db2.gz	NYTCPMTWRZATFD-HUUCEWRRSA-N	1	0	360.389	1.362	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000371119076	990262583	/nfs/dbraw/zinc/26/25/83/990262583.db2.gz	RLWRMKWETHRYMB-MGPUTAFESA-N	1	0	369.469	1.773	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)C1	ZINC000968714125	1015561073	/nfs/dbraw/zinc/56/10/73/1015561073.db2.gz	CWSWIHJZLQBHED-SRCQZFHVSA-N	1	0	358.417	1.303	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@@H]4[C@@H]3CCC[N@H+]4C)CC2)o1	ZINC000874829353	990554792	/nfs/dbraw/zinc/55/47/92/990554792.db2.gz	KJOJXKLNIGBAEQ-SJORKVTESA-N	1	0	357.458	1.766	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000875039944	990776829	/nfs/dbraw/zinc/77/68/29/990776829.db2.gz	GPVQJJQFZOUOFH-KRWDZBQOSA-N	1	0	365.518	1.855	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1	ZINC000875047464	990789451	/nfs/dbraw/zinc/78/94/51/990789451.db2.gz	GLRIPABYVIJYCJ-IBGZPJMESA-N	1	0	371.481	1.443	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1	ZINC000875047443	990789659	/nfs/dbraw/zinc/78/96/59/990789659.db2.gz	FZWAUJKBUCBWAA-GOSISDBHSA-N	1	0	357.454	1.053	20	30		FDEDRO
C[C@@H](C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)n1cnc(C#N)n1	ZINC000409742275	990796296	/nfs/dbraw/zinc/79/62/96/990796296.db2.gz	CWOYEXWAPUXNIJ-CVEARBPZSA-N	1	0	352.442	1.834	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000875066437	990821470	/nfs/dbraw/zinc/82/14/70/990821470.db2.gz	SIPPDMDRWCUAKK-IXDOHACOSA-N	1	0	351.491	1.015	20	30		FDEDRO
COc1ccnc(N2CCC[N@H+](C[C@@H](O)c3ccc(C#N)cc3)CC2)n1	ZINC000372010419	990890254	/nfs/dbraw/zinc/89/02/54/990890254.db2.gz	OKPHWWXSSCYZRJ-QGZVFWFLSA-N	1	0	353.426	1.603	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2c3ccccc3CN2C)CC1	ZINC000875182642	991022264	/nfs/dbraw/zinc/02/22/64/991022264.db2.gz	UNMAAADUWDAKRL-SFHVURJKSA-N	1	0	356.470	1.056	20	30		FDEDRO
C=CC[N@@H+](CCN1CCOC[C@H]1C)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000410365189	991266590	/nfs/dbraw/zinc/26/65/90/991266590.db2.gz	CNHSETFTXBJWJV-SJORKVTESA-N	1	0	356.474	1.932	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1	ZINC000875295664	991276225	/nfs/dbraw/zinc/27/62/25/991276225.db2.gz	OEYMONDUMBWYFR-BHIYHBOVSA-N	1	0	371.481	1.310	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1	ZINC000372627351	991278995	/nfs/dbraw/zinc/27/89/95/991278995.db2.gz	ZOKHAEJAPKVIDI-MJGOQNOKSA-N	1	0	370.497	1.954	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1	ZINC000875595815	991780428	/nfs/dbraw/zinc/78/04/28/991780428.db2.gz	FFJFUGKZMAONMG-JFIYKMOQSA-N	1	0	361.486	1.006	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1	ZINC000875598956	991786525	/nfs/dbraw/zinc/78/65/25/991786525.db2.gz	CKAFGCNGFCOQGM-GOSISDBHSA-N	1	0	359.470	1.251	20	30		FDEDRO
C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCC(C[NH+](CC)CC)CC1	ZINC000875600241	991787950	/nfs/dbraw/zinc/78/79/50/991787950.db2.gz	QBZFWGSLPBVVFX-KRWDZBQOSA-N	1	0	351.491	1.111	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C	ZINC000875601681	991790197	/nfs/dbraw/zinc/79/01/97/991790197.db2.gz	QBCZCTOSTTWFNT-IAGOWNOFSA-N	1	0	363.433	1.089	20	30		FDEDRO
C#CC[C@@H](COC)NC(=O)C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1	ZINC000875605195	991795307	/nfs/dbraw/zinc/79/53/07/991795307.db2.gz	GJQZJQVZXGPTRP-SFHVURJKSA-N	1	0	371.481	1.264	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)C(=O)N1CCC(C[N@@H+](C)CCCC)CC1	ZINC000875606592	991796706	/nfs/dbraw/zinc/79/67/06/991796706.db2.gz	BWQUNRZAJLALCQ-QGZVFWFLSA-N	1	0	351.491	1.111	20	30		FDEDRO
N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]CCN2CCN(c3ncccn3)CC2)O1	ZINC000373224387	992032825	/nfs/dbraw/zinc/03/28/25/992032825.db2.gz	SXQTUYMUEFZDGV-NCXUSEDFSA-N	1	0	370.501	1.428	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)[C@H](C#N)Cc1ccc(C#N)cc1	ZINC000373408764	992203986	/nfs/dbraw/zinc/20/39/86/992203986.db2.gz	ZDOVADDSWHQVIP-MTQWCTHYSA-N	1	0	366.465	1.951	20	30		FDEDRO
CC1=NO[C@H](CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1	ZINC000875983607	992232646	/nfs/dbraw/zinc/23/26/46/992232646.db2.gz	ZRPUQILDHHYOEI-SFHVURJKSA-N	1	0	355.442	1.940	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1	ZINC000373867776	992493059	/nfs/dbraw/zinc/49/30/59/992493059.db2.gz	BNIIKALOSJODHV-DFEOGRTESA-N	1	0	363.502	1.417	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CC[NH+](C[C@@H]3CCOC3)CC1)C2	ZINC000876279025	992519305	/nfs/dbraw/zinc/51/93/05/992519305.db2.gz	LYADYLHQRPMHAJ-QFBILLFUSA-N	1	0	354.454	1.389	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1	ZINC000876513244	992678432	/nfs/dbraw/zinc/67/84/32/992678432.db2.gz	JBGUEXXRXCNZRJ-OAHLLOKOSA-N	1	0	350.488	1.385	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)s1	ZINC000876516323	992679643	/nfs/dbraw/zinc/67/96/43/992679643.db2.gz	PLAHGUJQGQNMDN-CHWSQXEVSA-N	1	0	371.528	1.259	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)CC(C)(C)C[NH3+])s1	ZINC000876540257	992692000	/nfs/dbraw/zinc/69/20/00/992692000.db2.gz	HCYYGFNBLLLYFM-UHFFFAOYSA-N	1	0	359.517	1.198	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH+]1CCC(C(=O)N2CCOCC2)CC1	ZINC000876542856	992694601	/nfs/dbraw/zinc/69/46/01/992694601.db2.gz	XUGXPEIHYSJGFL-UHFFFAOYSA-N	1	0	356.470	1.695	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1	ZINC000876547473	992696804	/nfs/dbraw/zinc/69/68/04/992696804.db2.gz	BRSSPUOFYZZPRR-GOSISDBHSA-N	1	0	364.405	1.323	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](CC(=O)OC)c1ccc(OC)c(OC)c1	ZINC000876569427	992710978	/nfs/dbraw/zinc/71/09/78/992710978.db2.gz	STSWUYLZNOWOKE-OLZOCXBDSA-N	1	0	370.833	1.894	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000876603805	992734392	/nfs/dbraw/zinc/73/43/92/992734392.db2.gz	BCAYPBPQTBZXCW-HNNXBMFYSA-N	1	0	371.890	1.557	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@H](O)COc1ccc(F)cc1	ZINC000876620081	992746823	/nfs/dbraw/zinc/74/68/23/992746823.db2.gz	HKYBADLRWZWKEU-LPHOPBHVSA-N	1	0	369.396	1.440	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cccc(C(=O)N2CCOCC2)c1C	ZINC000876620530	992747176	/nfs/dbraw/zinc/74/71/76/992747176.db2.gz	ONCIBHPHGZMPKF-AWEZNQCLSA-N	1	0	351.834	1.876	20	30		FDEDRO
CN1CCN(C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C[C@@H]1C#N	ZINC000374276509	992748853	/nfs/dbraw/zinc/74/88/53/992748853.db2.gz	BRRMXEIFHDETIW-AZUAARDMSA-N	1	0	355.486	1.748	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1	ZINC000876628315	992755124	/nfs/dbraw/zinc/75/51/24/992755124.db2.gz	PCRLXKSVUSGKGX-CYBMUJFWSA-N	1	0	357.788	1.719	20	30		FDEDRO
C[C@@](C#N)(NC(=O)C[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1)C1CC1	ZINC000412006529	992761511	/nfs/dbraw/zinc/76/15/11/992761511.db2.gz	HLYYURJKMYEOSU-UXHICEINSA-N	1	0	371.481	1.915	20	30		FDEDRO
CNC(=O)NC1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC000412053927	992783614	/nfs/dbraw/zinc/78/36/14/992783614.db2.gz	JXJVNAKOEJHYJV-UHFFFAOYSA-N	1	0	352.442	1.852	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@@H](O)c1c(F)cccc1F	ZINC000876677090	992788394	/nfs/dbraw/zinc/78/83/94/992788394.db2.gz	HGQNHRWYSNXKCF-AEFFLSMTSA-N	1	0	357.360	1.873	20	30		FDEDRO
CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@@H]1[NH2+]CCc3cc(C#N)ccc31)CC2	ZINC000876678676	992789331	/nfs/dbraw/zinc/78/93/31/992789331.db2.gz	JCBPLOIMDVXBEO-IPMKNSEASA-N	1	0	369.465	1.524	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C[C@@H](C(F)(F)F)O1	ZINC000876684957	992793482	/nfs/dbraw/zinc/79/34/82/992793482.db2.gz	LMDHUDIBTRBLLS-WKPIXPDZSA-N	1	0	353.344	1.923	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000964938507	1015736794	/nfs/dbraw/zinc/73/67/94/1015736794.db2.gz	RVGHMQFYULRKAA-LNLFQRSKSA-N	1	0	363.502	1.561	20	30		FDEDRO
Cn1cc([C@@H](NCC(=O)N(CCC#N)CCC#N)c2ccccc2)cn1	ZINC000374613300	992909423	/nfs/dbraw/zinc/90/94/23/992909423.db2.gz	OJKSZDJASQKTNX-IBGZPJMESA-N	1	0	350.426	1.755	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)s1	ZINC000876787614	992913873	/nfs/dbraw/zinc/91/38/73/992913873.db2.gz	SKNVATWFVNOTNJ-ZDUSSCGKSA-N	1	0	369.512	1.108	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](c3nc(N(C)C)no3)C2)CC1	ZINC000374659231	992919166	/nfs/dbraw/zinc/91/91/66/992919166.db2.gz	ZHJKBSJCJFQVIJ-CQSZACIVSA-N	1	0	362.478	1.675	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)s1	ZINC000876832526	992929551	/nfs/dbraw/zinc/92/95/51/992929551.db2.gz	DQVDIBYFEZHEQB-RYUDHWBXSA-N	1	0	357.501	1.012	20	30		FDEDRO
Cn1cnnc1C1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876847386	992935650	/nfs/dbraw/zinc/93/56/50/992935650.db2.gz	JHNKIEMHSDZROW-KRWDZBQOSA-N	1	0	350.426	1.280	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CC23CC[NH2+]CC3)s1	ZINC000876854864	992938833	/nfs/dbraw/zinc/93/88/33/992938833.db2.gz	LRQSDUROAKWIPA-ZDUSSCGKSA-N	1	0	369.512	1.013	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(c2ccc(C(=O)OCC)cn2)CC1	ZINC000876874979	992944650	/nfs/dbraw/zinc/94/46/50/992944650.db2.gz	ONILBKJUBRIKNG-AWEZNQCLSA-N	1	0	366.849	1.377	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCCCc1nnc2n1CCCC2	ZINC000876901604	992959526	/nfs/dbraw/zinc/95/95/26/992959526.db2.gz	FYBDDUJTSBMUHL-LJQANCHMSA-N	1	0	364.453	1.422	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O	ZINC000876911471	992964494	/nfs/dbraw/zinc/96/44/94/992964494.db2.gz	DXXDXTZQRXYRIZ-NZSAHSFTSA-N	1	0	369.465	1.429	20	30		FDEDRO
CNC(=O)CC1(CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CCCCC1	ZINC000876974151	992992009	/nfs/dbraw/zinc/99/20/09/992992009.db2.gz	YTHCAUWZBMXVGD-LJQANCHMSA-N	1	0	368.481	1.948	20	30		FDEDRO
C[NH2+]CCCC(=O)N1CCC(NC(=O)C(C)(C)c2ccc(C#N)cc2)CC1	ZINC000876975192	992992281	/nfs/dbraw/zinc/99/22/81/992992281.db2.gz	CBNUWDDDQCKPIQ-UHFFFAOYSA-N	1	0	370.497	1.943	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[NH2+][C@H]2CC)ccc1F	ZINC000877021761	993014760	/nfs/dbraw/zinc/01/47/60/993014760.db2.gz	GAADSOXNFIEBKH-UONOGXRCSA-N	1	0	355.435	1.160	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)s1	ZINC000877047404	993029116	/nfs/dbraw/zinc/02/91/16/993029116.db2.gz	YSRXXVRXMYUGGM-NWDGAFQWSA-N	1	0	357.501	1.012	20	30		FDEDRO
C=CCc1cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2cncn2C)cc(OC)c1O	ZINC000375237369	993037044	/nfs/dbraw/zinc/03/70/44/993037044.db2.gz	DBOGATVTLUAPPU-DNVCBOLYSA-N	1	0	370.453	1.972	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CN(Cc2ccccc2C)CCO1	ZINC000877229443	993121588	/nfs/dbraw/zinc/12/15/88/993121588.db2.gz	MONHOXMAHCVHSI-DLBZAZTESA-N	1	0	351.878	1.782	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)[C@]3(C(F)(F)F)CC[NH2+]C3)CC2)cn1	ZINC000877296319	993192182	/nfs/dbraw/zinc/19/21/82/993192182.db2.gz	AXUQFQGJLBPQPE-HNNXBMFYSA-N	1	0	353.348	1.144	20	30		FDEDRO
COc1cccc([C@@H]([NH3+])C(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1	ZINC000877296875	993193747	/nfs/dbraw/zinc/19/37/47/993193747.db2.gz	KOTMZCHAZHZLQN-GOSISDBHSA-N	1	0	351.410	1.310	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCCn1ccc(C(F)(F)F)n1	ZINC000877311523	993203715	/nfs/dbraw/zinc/20/37/15/993203715.db2.gz	XMLXYTQJZKSWMM-HNNXBMFYSA-N	1	0	363.343	1.777	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC(=O)NC1CC1	ZINC000968861115	1015771977	/nfs/dbraw/zinc/77/19/77/1015771977.db2.gz	GLUXZOUMQZVDMN-KURKYZTESA-N	1	0	363.502	1.607	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnccc1C	ZINC001095556148	993432454	/nfs/dbraw/zinc/43/24/54/993432454.db2.gz	AEGWVTJFWHTLTH-FYQPLNBISA-N	1	0	352.482	1.709	20	30		FDEDRO
COC(=O)CN1CCC([NH2+]C2CCN(c3ccccc3C#N)CC2)CC1	ZINC000877682891	993438711	/nfs/dbraw/zinc/43/87/11/993438711.db2.gz	VPIQBMBWGDYINI-UHFFFAOYSA-N	1	0	356.470	1.754	20	30		FDEDRO
C=CCn1c(-c2nnn(C)c2C)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1	ZINC000651512101	1015781319	/nfs/dbraw/zinc/78/13/19/1015781319.db2.gz	KWDCRMUVPVHFIJ-OAHLLOKOSA-N	1	0	356.478	1.633	20	30		FDEDRO
CC(=O)[C@](C#N)(CC[NH+]1CCC(C(=O)NCCO)CC1)c1ccccc1	ZINC000877993572	993595734	/nfs/dbraw/zinc/59/57/34/993595734.db2.gz	QXTVSOVGMFZPHA-HXUWFJFHSA-N	1	0	357.454	1.248	20	30		FDEDRO
C#CC[C@@H](CO)NC(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1	ZINC000878007789	993604933	/nfs/dbraw/zinc/60/49/33/993604933.db2.gz	LPHLNLKYJRQARR-HNNXBMFYSA-N	1	0	364.877	1.988	20	30		FDEDRO
C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)CCNC(=O)C1	ZINC001095610870	993780427	/nfs/dbraw/zinc/78/04/27/993780427.db2.gz	ZKUHZLVZMPDEPP-WKRCXCSHSA-N	1	0	366.465	1.696	20	30		FDEDRO
C[C@H]1C[NH+](CCCON2C(=O)c3ccccc3C2=O)C[C@H](C)N1CC#N	ZINC000878772211	994214856	/nfs/dbraw/zinc/21/48/56/994214856.db2.gz	IDMCAYJTBJGWAK-GJZGRUSLSA-N	1	0	356.426	1.522	20	30		FDEDRO
C[C@@H]1C[NH+](CCCON2C(=O)c3ccccc3C2=O)C[C@@H](C)N1CC#N	ZINC000878772212	994215087	/nfs/dbraw/zinc/21/50/87/994215087.db2.gz	IDMCAYJTBJGWAK-HUUCEWRRSA-N	1	0	356.426	1.522	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)c1	ZINC000923732996	994235874	/nfs/dbraw/zinc/23/58/74/994235874.db2.gz	ZOMPNKOGTZXFFN-GOSISDBHSA-N	1	0	363.483	1.509	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CCC[C@@H]1Oc1cnn(C)c1)C1CC[NH+](C)CC1	ZINC000924111999	994391384	/nfs/dbraw/zinc/39/13/84/994391384.db2.gz	DDMKEPVUNRWMIN-MSOLQXFVSA-N	1	0	359.474	1.459	20	30		FDEDRO
CN(CCC#N)C(=O)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C	ZINC000879219921	994651591	/nfs/dbraw/zinc/65/15/91/994651591.db2.gz	AXYVREHIQWTLIZ-GASCZTMLSA-N	1	0	350.463	1.832	20	30		FDEDRO
C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CCOCCO	ZINC000924569108	994836454	/nfs/dbraw/zinc/83/64/54/994836454.db2.gz	GPXXETSYDYLIEA-HNNXBMFYSA-N	1	0	355.479	1.904	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)CC1	ZINC000965202444	1015906793	/nfs/dbraw/zinc/90/67/93/1015906793.db2.gz	QYMFECQSRBJMKB-JQHSSLGASA-N	1	0	363.502	1.559	20	30		FDEDRO
N#Cc1ccc(N2CC[NH+](C[C@](O)(C(N)=O)c3ccccc3)CC2)cc1	ZINC000879586943	995052241	/nfs/dbraw/zinc/05/22/41/995052241.db2.gz	ZSAUDXNBIGUIAX-HXUWFJFHSA-N	1	0	350.422	1.053	20	30		FDEDRO
CN1CC[NH+](C2CCN([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)CC1	ZINC000879592507	995061836	/nfs/dbraw/zinc/06/18/36/995061836.db2.gz	MJADLUUXXPXITM-HXUWFJFHSA-N	1	0	367.497	1.375	20	30		FDEDRO
Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC[N@H+](C)CCO)cc1C	ZINC000925018904	995240535	/nfs/dbraw/zinc/24/05/35/995240535.db2.gz	WFMIFPNFSIBJOR-UHFFFAOYSA-N	1	0	369.469	1.735	20	30		FDEDRO
C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)C1CCN(S(C)(=O)=O)CC1	ZINC000925366490	995533257	/nfs/dbraw/zinc/53/32/57/995533257.db2.gz	FYWLARLTAMJOMJ-AWEZNQCLSA-N	1	0	351.472	1.739	20	30		FDEDRO
CCOC(=O)[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)C[C@H]1C(F)(F)F	ZINC000880154810	995690938	/nfs/dbraw/zinc/69/09/38/995690938.db2.gz	LZMWMSOMOFGLNI-CHWSQXEVSA-N	1	0	374.363	1.316	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)CN2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc1	ZINC000880206852	995721653	/nfs/dbraw/zinc/72/16/53/995721653.db2.gz	LGIXIIMDKTZQQI-WOJBJXKFSA-N	1	0	373.497	1.725	20	30		FDEDRO
N#Cc1ccc([C@@H](O)CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1	ZINC000880252960	995756661	/nfs/dbraw/zinc/75/66/61/995756661.db2.gz	SLZGNOJYSGGGNJ-SFHVURJKSA-N	1	0	356.470	1.397	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)cn2)[C@@H](C)C1	ZINC000780469338	995809451	/nfs/dbraw/zinc/80/94/51/995809451.db2.gz	WOTYKHSQGGJJMC-YJBOKZPZSA-N	1	0	359.474	1.889	20	30		FDEDRO
N#CCCn1ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)n1	ZINC000926037692	995900113	/nfs/dbraw/zinc/90/01/13/995900113.db2.gz	QKQOBPWPWWCVBJ-IYBDPMFKSA-N	1	0	357.462	1.229	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)C#Cc1ccc3c(c1)OCO3)C2	ZINC000926168231	995954351	/nfs/dbraw/zinc/95/43/51/995954351.db2.gz	FLAJJOPZBYKMHT-WWEWDKITSA-N	1	0	370.449	1.363	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccccc1OCC#N)C2	ZINC000926177775	995960767	/nfs/dbraw/zinc/96/07/67/995960767.db2.gz	BBIZBTUHUUHDCK-HBXLWWENSA-N	1	0	357.454	1.798	20	30		FDEDRO
C=CCNc1ncc(C(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)s1	ZINC000926195692	995974408	/nfs/dbraw/zinc/97/44/08/995974408.db2.gz	YYPVUUHEMYBZTK-ONUSSAAZSA-N	1	0	364.515	1.951	20	30		FDEDRO
CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)CC3(C#N)CCOCC3)C2)[C@H]1C(C)C	ZINC000926239803	995988811	/nfs/dbraw/zinc/98/88/11/995988811.db2.gz	VVIXIPLTYPMJBJ-QQTQMKHKSA-N	1	0	363.502	1.683	20	30		FDEDRO
C=CCCN(OCc1ccccc1)C(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1	ZINC000926360356	996085647	/nfs/dbraw/zinc/08/56/47/996085647.db2.gz	KPKINHRQNBRBQE-WMZOPIPTSA-N	1	0	359.470	1.966	20	30		FDEDRO
C#CCN(C)CCC[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2	ZINC000926491973	996176387	/nfs/dbraw/zinc/17/63/87/996176387.db2.gz	ZDDRXQKPFGIQPJ-VPLLLXJESA-N	1	0	365.518	1.849	20	30		FDEDRO
CCO[C@@H](CNC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1)C[NH+](C)C	ZINC000926849193	996338704	/nfs/dbraw/zinc/33/87/04/996338704.db2.gz	IJZFVXHAYCXNFE-SJORKVTESA-N	1	0	374.489	1.506	20	30		FDEDRO
CCO[C@H](CNC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1)C[NH+](C)C	ZINC000926849191	996338949	/nfs/dbraw/zinc/33/89/49/996338949.db2.gz	IJZFVXHAYCXNFE-IAGOWNOFSA-N	1	0	374.489	1.506	20	30		FDEDRO
Cc1ccc(CNC(=O)N2C[C@@H]([NH+](C)C)[C@@H](n3ccnn3)C2)cc1C#N	ZINC000926874466	996352081	/nfs/dbraw/zinc/35/20/81/996352081.db2.gz	UNOODJHAIFICIV-SJORKVTESA-N	1	0	353.430	1.155	20	30		FDEDRO
C=CC(C)(C)C(=O)N1CC2(C1)CN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CCO2	ZINC000965391622	1016031910	/nfs/dbraw/zinc/03/19/10/1016031910.db2.gz	CWTUTQYWTFKHCC-JKSUJKDBSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=C1CC(C)(C(=O)N2CC3(C2)CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO3)C1	ZINC000965393015	1016033687	/nfs/dbraw/zinc/03/36/87/1016033687.db2.gz	RSYBTBHRASZQOO-HZPDHXFCSA-N	1	0	361.486	1.123	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)Nc2ccc(N3CCOCC3)cc2)CCOCC1	ZINC000887123331	996954431	/nfs/dbraw/zinc/95/44/31/996954431.db2.gz	KAWZZTXRZJXJME-UHFFFAOYSA-N	1	0	357.454	1.624	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)Nc2ccccc2SCC(N)=O)CCOCC1	ZINC000887125847	996955008	/nfs/dbraw/zinc/95/50/08/996955008.db2.gz	MEJPEMUZMWRHJG-UHFFFAOYSA-N	1	0	361.467	1.365	20	30		FDEDRO
C#CCC1([NH2+]Cc2nnnn2-c2ccc(OC(F)F)cc2)CCOCC1	ZINC000887125643	996955230	/nfs/dbraw/zinc/95/52/30/996955230.db2.gz	DLPGUYHWKBDMRO-UHFFFAOYSA-N	1	0	363.368	1.926	20	30		FDEDRO
Cc1cccc(C(=O)NCC#CC[NH+](C)C)c1I	ZINC000717666869	997200044	/nfs/dbraw/zinc/20/00/44/997200044.db2.gz	UVYHTERSUBRFDQ-UHFFFAOYSA-N	1	0	356.207	1.894	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCC(=O)Nc2ccccc2)cc1OC	ZINC000264068197	997394572	/nfs/dbraw/zinc/39/45/72/997394572.db2.gz	CAJONRVDPPRNLE-UHFFFAOYSA-N	1	0	356.426	1.789	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1ccnc(OC2CCCC2)c1	ZINC000264071206	997395204	/nfs/dbraw/zinc/39/52/04/997395204.db2.gz	DIRKDPKSOBBQGB-UHFFFAOYSA-N	1	0	361.490	1.530	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NCc2cccnc2N2CCOCC2)cc1OC	ZINC000264080765	997398598	/nfs/dbraw/zinc/39/85/98/997398598.db2.gz	HCLCYXRYHJBALG-UHFFFAOYSA-N	1	0	371.441	1.862	20	30		FDEDRO
C[NH+]=C(NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)NC1CC1	ZINC000264087719	997399319	/nfs/dbraw/zinc/39/93/19/997399319.db2.gz	VVDSAZDHVWUSMZ-UHFFFAOYSA-N	1	0	355.421	1.725	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1ccc(N2CCCCCC2)nc1	ZINC000264115454	997405310	/nfs/dbraw/zinc/40/53/10/997405310.db2.gz	PWDFOXGVBKBAKR-UHFFFAOYSA-N	1	0	374.533	1.589	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCCc2cn3ccccc3n2)CC1	ZINC000264123045	997407008	/nfs/dbraw/zinc/40/70/08/997407008.db2.gz	RNWTUDXZGMXNOG-UHFFFAOYSA-N	1	0	358.446	1.402	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CC1	ZINC000264210591	997429174	/nfs/dbraw/zinc/42/91/74/997429174.db2.gz	IYSZNNNIJJLFBX-UHFFFAOYSA-N	1	0	357.498	1.631	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@H](O)c2cc(OC)ccc2OC)CC1	ZINC000264370823	997482585	/nfs/dbraw/zinc/48/25/85/997482585.db2.gz	QVJNWHXWTRAHOM-KRWDZBQOSA-N	1	0	363.458	1.687	20	30		FDEDRO
C[NH+](C)CCn1ccc(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)n1	ZINC000887737035	997713564	/nfs/dbraw/zinc/71/35/64/997713564.db2.gz	OMYNMULQPRMPFA-GOSISDBHSA-N	1	0	353.426	1.530	20	30		FDEDRO
COCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000265352056	997772931	/nfs/dbraw/zinc/77/29/31/997772931.db2.gz	CDDRXFIUWYPXME-UHFFFAOYSA-N	1	0	362.430	1.002	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)Cc2cc(C#N)cs2)CC1=O	ZINC000887970526	997988197	/nfs/dbraw/zinc/98/81/97/997988197.db2.gz	CQHLKYCJYMSBLB-JKSUJKDBSA-N	1	0	374.510	1.911	20	30		FDEDRO
C[NH+]1CCN(Cc2cccc(C(=O)NCc3nc(C#N)cs3)c2)CC1	ZINC000887981344	997993139	/nfs/dbraw/zinc/99/31/39/997993139.db2.gz	ATCQXRZRVXCAAG-UHFFFAOYSA-N	1	0	355.467	1.692	20	30		FDEDRO
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)Nc2ccc(C#N)cn2)CC1	ZINC000889225595	998231714	/nfs/dbraw/zinc/23/17/14/998231714.db2.gz	XZFRCOMEBOSENT-HZPDHXFCSA-N	1	0	356.474	1.976	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCCC(=O)NCc2ccccc2)cc1OC	ZINC000104183410	998315648	/nfs/dbraw/zinc/31/56/48/998315648.db2.gz	HYTOBGPFWIGHPH-UHFFFAOYSA-N	1	0	370.453	1.815	20	30		FDEDRO
CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000889761353	998613797	/nfs/dbraw/zinc/61/37/97/998613797.db2.gz	FPMUNJDVBCYOCI-ZWKOTPCHSA-N	1	0	357.454	1.773	20	30		FDEDRO
C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)Nc2cccc(CC#N)n2)C1	ZINC000889796965	998665712	/nfs/dbraw/zinc/66/57/12/998665712.db2.gz	ZXZMQHSUPCVCDX-HUUCEWRRSA-N	1	0	357.458	1.570	20	30		FDEDRO
CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(C2CC2)c(C#N)c1	ZINC000890002464	998766392	/nfs/dbraw/zinc/76/63/92/998766392.db2.gz	PRNMFQKZUUKRPJ-KRWDZBQOSA-N	1	0	372.469	1.847	20	30		FDEDRO
C[NH+](C)CCCC1CCN(C(=O)C(=O)Nc2cccc(CC#N)n2)CC1	ZINC000890052201	998793872	/nfs/dbraw/zinc/79/38/72/998793872.db2.gz	GHBFYGLBFCGMIE-UHFFFAOYSA-N	1	0	357.458	1.667	20	30		FDEDRO
CSc1ccc(CNC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cc1C#N	ZINC000890451070	998948574	/nfs/dbraw/zinc/94/85/74/998948574.db2.gz	SOONGJJULKCSPK-UONOGXRCSA-N	1	0	362.499	1.877	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1ncn(C)c1=O)C2	ZINC001110856242	999047603	/nfs/dbraw/zinc/04/76/03/999047603.db2.gz	SPISNGIMKPVJJO-ZACQAIPSSA-N	1	0	363.506	1.664	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1OCCc3ccccc31)C2	ZINC001110882894	999109197	/nfs/dbraw/zinc/10/91/97/999109197.db2.gz	RNFUVNORTAONQQ-RSPOEFSDSA-N	1	0	354.450	1.672	20	30		FDEDRO
C#CCOc1ccccc1CNC(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1	ZINC000266909792	999263128	/nfs/dbraw/zinc/26/31/28/999263128.db2.gz	ZIJDWTFQRNWWQF-GOSISDBHSA-N	1	0	372.513	1.771	20	30		FDEDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCc3ccc(C#N)cc32)CC1=O	ZINC000270147348	999519113	/nfs/dbraw/zinc/51/91/13/999519113.db2.gz	AAOOOWCUYNRASJ-ROUUACIJSA-N	1	0	366.465	1.780	20	30		FDEDRO
CCCC[NH+]1CCC(NC(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1	ZINC000270187917	999523148	/nfs/dbraw/zinc/52/31/48/999523148.db2.gz	NAQAHOHMZSEQIB-UHFFFAOYSA-N	1	0	354.454	1.828	20	30		FDEDRO
Cc1cc(C[NH+](C)C)cc(NC(=O)CCNC(=O)C2N=CC=CC2=O)c1	ZINC000270352977	999545019	/nfs/dbraw/zinc/54/50/19/999545019.db2.gz	CWKWJNCNQTYLMK-HNENSFHCSA-N	1	0	356.426	1.912	20	30		FDEDRO
CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C1	ZINC000271022628	999649894	/nfs/dbraw/zinc/64/98/94/999649894.db2.gz	AUGLOIHFYFRFEN-HNNXBMFYSA-N	1	0	360.462	1.234	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@H+](C)CCNC(=O)C(C)C)c(OC)c1	ZINC000271268206	999682581	/nfs/dbraw/zinc/68/25/81/999682581.db2.gz	WNRXUKIIXWJGME-KRWDZBQOSA-N	1	0	364.486	1.867	20	30		FDEDRO
C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cccc(N2CCOCC2)c1	ZINC000271419951	999700591	/nfs/dbraw/zinc/70/05/91/999700591.db2.gz	BOIYPFAMDHINIU-MVZUJROASA-N	1	0	370.453	1.700	20	30		FDEDRO
N#CCC[C@@H](C#N)CN1C(=O)N[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1=O	ZINC000274368043	999738338	/nfs/dbraw/zinc/73/83/38/999738338.db2.gz	ZERUKZKWUFWYRO-QFBILLFUSA-N	1	0	351.410	1.626	20	30		FDEDRO
C=CCn1c(-c2cccnc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000283567692	999757247	/nfs/dbraw/zinc/75/72/47/999757247.db2.gz	RDJWJYSMILSBMP-INIZCTEOSA-N	1	0	354.458	1.685	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)NCCc1ccncc1C)C(C)C	ZINC000284010085	999769125	/nfs/dbraw/zinc/76/91/25/999769125.db2.gz	KOQXKPGAILUJHF-IBGZPJMESA-N	1	0	372.513	1.864	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000284283818	999797340	/nfs/dbraw/zinc/79/73/40/999797340.db2.gz	OQQFONGJIHWTDW-UHFFFAOYSA-N	1	0	372.513	1.740	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCCCN(C)c2ccccc2)CC1	ZINC000284920212	999882854	/nfs/dbraw/zinc/88/28/54/999882854.db2.gz	IOECQZAKVMDFHD-UHFFFAOYSA-N	1	0	372.513	1.786	20	30		FDEDRO
C[N@H+](CCNC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)C1CC1	ZINC000285228451	999905581	/nfs/dbraw/zinc/90/55/81/999905581.db2.gz	XYGVILNCTAIONQ-UHFFFAOYSA-N	1	0	370.453	1.138	20	30		FDEDRO
C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccn(-c4cccc(C#N)c4)n3)[C@H]2C1	ZINC000285869717	999922054	/nfs/dbraw/zinc/92/20/54/999922054.db2.gz	RHLDBWQRHGCEED-ZWKOTPCHSA-N	1	0	351.410	1.289	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCc2ccc(C)c(OC)c2)CC1	ZINC000286463535	999944642	/nfs/dbraw/zinc/94/46/42/999944642.db2.gz	IEXVPABHMGBDGL-UHFFFAOYSA-N	1	0	373.497	1.819	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)CCOc2ccc(C)cc2)CC1	ZINC000286649214	999945660	/nfs/dbraw/zinc/94/56/60/999945660.db2.gz	NIRHUXXMUCAECO-UHFFFAOYSA-N	1	0	359.470	1.599	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1	ZINC000286730598	999947746	/nfs/dbraw/zinc/94/77/46/999947746.db2.gz	QCNWDTJBIXRZSY-IEBWSBKVSA-N	1	0	373.497	1.865	20	30		FDEDRO
C#CC[C@@H](Cc1ccccc1)NC(=O)NCCN1CCC([NH+](C)C)CC1	ZINC000287678650	999959113	/nfs/dbraw/zinc/95/91/13/999959113.db2.gz	JAXANFVNSGOHPW-IBGZPJMESA-N	1	0	356.514	1.946	20	30		FDEDRO
CN(C(=O)NCCn1cnc(C#N)n1)C1CC[NH+](Cc2ccccc2)CC1	ZINC000287826460	999963902	/nfs/dbraw/zinc/96/39/02/999963902.db2.gz	KHUWRCOAIQRRJY-UHFFFAOYSA-N	1	0	367.457	1.456	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1	ZINC000288162292	999992499	/nfs/dbraw/zinc/99/24/99/999992499.db2.gz	PIPQALPLPYMNPQ-SFHVURJKSA-N	1	0	373.497	1.818	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000288362727	1000011220	/nfs/dbraw/zinc/01/12/20/1000011220.db2.gz	JKWFUTIGFIKWPJ-AEFFLSMTSA-N	1	0	359.470	1.332	20	30		FDEDRO
C#Cc1cc(F)c(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c(F)c1	ZINC000288908957	1000058217	/nfs/dbraw/zinc/05/82/17/1000058217.db2.gz	HJGDZKOJCVTRFV-OCCSQVGLSA-N	1	0	361.392	1.970	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C	ZINC000288978865	1000065334	/nfs/dbraw/zinc/06/53/34/1000065334.db2.gz	IFKYRYIJBHEPTM-HNAYVOBHSA-N	1	0	371.481	1.809	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C	ZINC000289147457	1000077557	/nfs/dbraw/zinc/07/75/57/1000077557.db2.gz	MSBXVCJXNQCLTE-BEFAXECRSA-N	1	0	366.465	1.672	20	30		FDEDRO
CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)cc1	ZINC000289520911	1000104215	/nfs/dbraw/zinc/10/42/15/1000104215.db2.gz	HBXUECWMKQTTPY-FXAWDEMLSA-N	1	0	369.469	1.989	20	30		FDEDRO
C=CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C	ZINC000290329616	1000132987	/nfs/dbraw/zinc/13/29/87/1000132987.db2.gz	IUQXUKXWOJRXIP-JKSUJKDBSA-N	1	0	360.506	1.867	20	30		FDEDRO
Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000290414514	1000136345	/nfs/dbraw/zinc/13/63/45/1000136345.db2.gz	GQLYQAZYMZXIRI-UHFFFAOYSA-N	1	0	354.414	1.744	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCCc2cccnc2OC)cc1OC	ZINC000290670966	1000151991	/nfs/dbraw/zinc/15/19/91/1000151991.db2.gz	OZIOPANSWZHCBF-UHFFFAOYSA-N	1	0	358.442	1.797	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccc(OC)nc2OC)CC1	ZINC000290737416	1000155958	/nfs/dbraw/zinc/15/59/58/1000155958.db2.gz	WSPDCKHMZKYKRY-UHFFFAOYSA-N	1	0	365.434	1.124	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC000290805939	1000160247	/nfs/dbraw/zinc/16/02/47/1000160247.db2.gz	VFTQGUTWBOKRSE-GBESFXJTSA-N	1	0	357.454	1.500	20	30		FDEDRO
C=C(C)Cn1c(CC2CC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000292779147	1000261203	/nfs/dbraw/zinc/26/12/03/1000261203.db2.gz	BYRVZDOATMQCKY-KRWDZBQOSA-N	1	0	372.517	1.550	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)NC[C@@]3(C)CCC[NH2+]C3)cc21	ZINC000927794372	1001053018	/nfs/dbraw/zinc/05/30/18/1001053018.db2.gz	DVYKOQNLQXGGOM-IBGZPJMESA-N	1	0	355.442	1.667	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3CCC(CC[NH3+])CC3)cc21	ZINC000927802589	1001062820	/nfs/dbraw/zinc/06/28/20/1001062820.db2.gz	JQWJPEPBLFMHQB-UHFFFAOYSA-N	1	0	355.442	1.748	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1	ZINC000927836031	1001092388	/nfs/dbraw/zinc/09/23/88/1001092388.db2.gz	ZEOKOKJRBRPQFR-KDURUIRLSA-N	1	0	366.465	1.034	20	30		FDEDRO
C=C(C)COc1cccc(NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1	ZINC000927848069	1001113294	/nfs/dbraw/zinc/11/32/94/1001113294.db2.gz	QGUJFCVLFFMWNK-ZIAGYGMSSA-N	1	0	371.359	1.928	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2	ZINC000927924879	1001218855	/nfs/dbraw/zinc/21/88/55/1001218855.db2.gz	GISYTOVLWDSQBA-IBGZPJMESA-N	1	0	359.401	1.521	20	30		FDEDRO
N#Cc1ccc(C[C@H](C#N)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1	ZINC000928088483	1001347982	/nfs/dbraw/zinc/34/79/82/1001347982.db2.gz	YLLOOYOEGXUVFP-KURKYZTESA-N	1	0	354.479	1.937	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2c(C)c(Br)c[nH]c2=O)CC1	ZINC000928649810	1001607841	/nfs/dbraw/zinc/60/78/41/1001607841.db2.gz	RTXVGSMSQRUIFY-UHFFFAOYSA-N	1	0	352.232	1.686	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)CC1	ZINC000928652800	1001609744	/nfs/dbraw/zinc/60/97/44/1001609744.db2.gz	NARAZURVDZYUTD-UHFFFAOYSA-N	1	0	355.442	1.285	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2nnn(Cc3ccc(F)cc3F)c2C)CC1	ZINC000928652589	1001609850	/nfs/dbraw/zinc/60/98/50/1001609850.db2.gz	DUDJYTMRDYPOBL-UHFFFAOYSA-N	1	0	373.407	1.740	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cnccc2NC(=O)OC(C)(C)C)CC1	ZINC000928652995	1001609970	/nfs/dbraw/zinc/60/99/70/1001609970.db2.gz	UUACEIZRADDJKO-UHFFFAOYSA-N	1	0	358.442	1.678	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)CC1	ZINC000928653831	1001610426	/nfs/dbraw/zinc/61/04/26/1001610426.db2.gz	BXQQZJIWGKFXBM-KRWDZBQOSA-N	1	0	355.438	1.211	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H]2CCCN2C(=O)c2ccc(OC)cc2)CC1	ZINC000928653505	1001610461	/nfs/dbraw/zinc/61/04/61/1001610461.db2.gz	OPQBOFAYBIWEDV-LJQANCHMSA-N	1	0	369.465	1.514	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)CC1	ZINC000928659228	1001614575	/nfs/dbraw/zinc/61/45/75/1001614575.db2.gz	ISLJYHMGVSFHRZ-INIZCTEOSA-N	1	0	359.495	1.957	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)CC1	ZINC000928659476	1001615321	/nfs/dbraw/zinc/61/53/21/1001615321.db2.gz	NUNOILUWCKLBKV-WAYWQWQTSA-N	1	0	367.453	1.533	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)CC1	ZINC000928661089	1001615812	/nfs/dbraw/zinc/61/58/12/1001615812.db2.gz	NCNUHLCAPCOTJI-UHFFFAOYSA-N	1	0	350.422	1.119	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)CC1	ZINC000928660399	1001615827	/nfs/dbraw/zinc/61/58/27/1001615827.db2.gz	COTYJTBRDPMSPY-UHFFFAOYSA-N	1	0	353.344	1.858	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)CC1	ZINC000928660939	1001616044	/nfs/dbraw/zinc/61/60/44/1001616044.db2.gz	KFTRHMGEZCGIQJ-GOSISDBHSA-N	1	0	367.449	1.521	20	30		FDEDRO
C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1	ZINC000928720608	1001636294	/nfs/dbraw/zinc/63/62/94/1001636294.db2.gz	WMCWLDIHSXSAQS-NVXWUHKLSA-N	1	0	357.458	1.324	20	30		FDEDRO
C[NH+](C)CC[C@H](NC(=O)C#Cc1ccc2c(c1)OCO2)c1cccnc1	ZINC000928838090	1001678846	/nfs/dbraw/zinc/67/88/46/1001678846.db2.gz	RACYMEKHYDLAGZ-KRWDZBQOSA-N	1	0	351.406	1.971	20	30		FDEDRO
C=CCNC(=O)CN1CCN(Cc2cnc(N(C)C)c3ccccc23)CC1	ZINC000929098129	1001748327	/nfs/dbraw/zinc/74/83/27/1001748327.db2.gz	ZKUBKBYHZJJXMU-UHFFFAOYSA-N	1	0	367.497	1.721	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2	ZINC001110961676	1001753135	/nfs/dbraw/zinc/75/31/35/1001753135.db2.gz	DRHMJDWMCSILGZ-KURKYZTESA-N	1	0	362.518	1.250	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCCN(c3ccc(C#N)nn3)C2)CC[N@@H+]1C	ZINC001110963852	1001798533	/nfs/dbraw/zinc/79/85/33/1001798533.db2.gz	OHXAWEIKYCKXLG-OGWOLHLISA-N	1	0	356.474	1.411	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COC1CCOCC1	ZINC001110967050	1001965160	/nfs/dbraw/zinc/96/51/60/1001965160.db2.gz	QDTRZCRVCIKVDI-RWQQGDIJSA-N	1	0	366.502	1.621	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3cscn3)C[C@H]2C)CC1	ZINC000947930220	1001965150	/nfs/dbraw/zinc/96/51/50/1001965150.db2.gz	NBIKKZBLYDGCKH-UKRRQHHQSA-N	1	0	360.483	1.065	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CC(=O)N(C)C)CC1	ZINC000948385040	1002289368	/nfs/dbraw/zinc/28/93/68/1002289368.db2.gz	HQHGIBPOYBHHBH-ZACQAIPSSA-N	1	0	351.491	1.369	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1	ZINC000948414641	1002316306	/nfs/dbraw/zinc/31/63/06/1002316306.db2.gz	YZBCYUOLWYCKPI-AYBZRNKSSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H](CC)SC)C[C@H]2C)CC1	ZINC000948423983	1002324633	/nfs/dbraw/zinc/32/46/33/1002324633.db2.gz	AGLMNBLFEZDRIA-DJIMGWMZSA-N	1	0	365.543	1.436	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCO[C@H]2c2nccn2C)CC1	ZINC000948449061	1002350216	/nfs/dbraw/zinc/35/02/16/1002350216.db2.gz	MGSVGUCOSPHLEL-KZNAEPCWSA-N	1	0	358.486	1.834	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1	ZINC000948472012	1002377555	/nfs/dbraw/zinc/37/75/55/1002377555.db2.gz	KZWVZHBBAQDIIP-SQNIBIBYSA-N	1	0	361.486	1.027	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1	ZINC000948477104	1002385787	/nfs/dbraw/zinc/38/57/87/1002385787.db2.gz	PKUZYORKKGZDJR-SQNIBIBYSA-N	1	0	363.502	1.559	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1	ZINC000948579737	1002466701	/nfs/dbraw/zinc/46/67/01/1002466701.db2.gz	HNUZQTUAFJSMHC-SJKOYZFVSA-N	1	0	362.393	1.425	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CC(=O)NC2CC2)CC1	ZINC000948851932	1002759123	/nfs/dbraw/zinc/75/91/23/1002759123.db2.gz	FALNTZQOLNZBGH-AOIWGVFYSA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Nc2ccc(OC)c(-n3nnnc3C)c2)CC1	ZINC000930117467	1002836977	/nfs/dbraw/zinc/83/69/77/1002836977.db2.gz	NBRDMSPOKOKJAL-UHFFFAOYSA-N	1	0	369.429	1.198	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)c1ccncc1	ZINC000930121335	1002841917	/nfs/dbraw/zinc/84/19/17/1002841917.db2.gz	CMDRLOQJBWJKCP-QZTJIDSGSA-N	1	0	372.469	1.185	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCNS(=O)(=O)CC)CC1	ZINC001110982164	1002850855	/nfs/dbraw/zinc/85/08/55/1002850855.db2.gz	LUSMHTZFHKRCMQ-ZACQAIPSSA-N	1	0	369.531	1.394	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC000949011316	1002929925	/nfs/dbraw/zinc/92/99/25/1002929925.db2.gz	ZJUHPAURSLPJSE-DDBAPUKQSA-N	1	0	363.502	1.273	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H]1C[C@@H](OC(C)C)C1(C)C)C1CC[NH+](C)CC1	ZINC000930516683	1003229419	/nfs/dbraw/zinc/22/94/19/1003229419.db2.gz	YLVJICDNOLGOMK-DLBZAZTESA-N	1	0	363.502	1.251	20	30		FDEDRO
COc1cc(C#N)ccc1C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1	ZINC000930527192	1003241118	/nfs/dbraw/zinc/24/11/18/1003241118.db2.gz	WDOJKARFRHNTFA-UHFFFAOYSA-N	1	0	351.410	1.966	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)C(=O)NC3=O)C2	ZINC001111292709	1003674983	/nfs/dbraw/zinc/67/49/83/1003674983.db2.gz	KLWSUTGJECCUDK-XYPHTWIQSA-N	1	0	353.422	1.872	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1	ZINC000949835656	1003740272	/nfs/dbraw/zinc/74/02/72/1003740272.db2.gz	WJMHMTFZYLOCEC-KBRIMQKVSA-N	1	0	357.458	1.337	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1	ZINC000652187646	1016816784	/nfs/dbraw/zinc/81/67/84/1016816784.db2.gz	RBGXDSXFAJVYLO-ILOCAZANSA-N	1	0	351.491	1.896	20	30		FDEDRO
C[NH+](C)CC[C@@H](NC(=O)C(=O)NCC1(C#N)CCCCC1)c1cccnc1	ZINC000931011234	1003770001	/nfs/dbraw/zinc/77/00/01/1003770001.db2.gz	WDOZVNMFQLGEEH-QGZVFWFLSA-N	1	0	371.485	1.781	20	30		FDEDRO
C[C@H]1[C@@H]([NH+](C)C)CCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000931037161	1003801896	/nfs/dbraw/zinc/80/18/96/1003801896.db2.gz	AGDKOSAFPZABDL-YOEHRIQHSA-N	1	0	352.442	1.707	20	30		FDEDRO
N#Cc1ccc(F)c(CNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c1	ZINC000931062204	1003835350	/nfs/dbraw/zinc/83/53/50/1003835350.db2.gz	NGINWZPFCWBBKE-QGZVFWFLSA-N	1	0	372.444	1.837	20	30		FDEDRO
C#CC1(O)CC[NH+]([C@@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1	ZINC000931147414	1003923453	/nfs/dbraw/zinc/92/34/53/1003923453.db2.gz	SUQNRVIWSQWWKB-INIZCTEOSA-N	1	0	359.445	1.323	20	30		FDEDRO
Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)NCC#CC[NH+](C)C	ZINC000931264553	1004004999	/nfs/dbraw/zinc/00/49/99/1004004999.db2.gz	AJZPNRHVLFYMIA-KRWDZBQOSA-N	1	0	358.442	1.291	20	30		FDEDRO
C#CC1(O)CCN(C(=O)Nc2ccc(OCC[NH+](C)C)c(OC)c2)CC1	ZINC000931766550	1004481532	/nfs/dbraw/zinc/48/15/32/1004481532.db2.gz	CSXGTNRPAAHCDV-UHFFFAOYSA-N	1	0	361.442	1.628	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C2	ZINC001111023637	1004744864	/nfs/dbraw/zinc/74/48/64/1004744864.db2.gz	TXXLXOJYBSABEQ-WWNBULGVSA-N	1	0	365.493	1.570	20	30		FDEDRO
N#CCCNC(=O)C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F	ZINC000932067043	1004750060	/nfs/dbraw/zinc/75/00/60/1004750060.db2.gz	MFUPONCYTOWNNS-HUUCEWRRSA-N	1	0	354.376	1.669	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)Nc1ccc(C(=O)N=S(C)(C)=O)cc1	ZINC000932355901	1004921936	/nfs/dbraw/zinc/92/19/36/1004921936.db2.gz	IXRYNTUCTFPATA-UHFFFAOYSA-N	1	0	350.444	1.241	20	30		FDEDRO
COC(C)(C)[C@H](C)[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000932370773	1004928581	/nfs/dbraw/zinc/92/85/81/1004928581.db2.gz	PHWAYXAYWTXDGZ-GJZGRUSLSA-N	1	0	364.515	1.860	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1C#N	ZINC000932474645	1004977387	/nfs/dbraw/zinc/97/73/87/1004977387.db2.gz	GUOBKOXSWZPDRE-KRWDZBQOSA-N	1	0	356.470	1.577	20	30		FDEDRO
CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NCc2ccc(C)c(C#N)c2)CC1	ZINC000932477536	1004979711	/nfs/dbraw/zinc/97/97/11/1004979711.db2.gz	DTYVYRXOFYHKGO-UHFFFAOYSA-N	1	0	368.481	1.960	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1C#N	ZINC000932478299	1004980737	/nfs/dbraw/zinc/98/07/37/1004980737.db2.gz	HFQWUKXWIIOUPS-SJLPKXTDSA-N	1	0	354.454	1.426	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](CCNC(=O)OC(C)(C)C)C1	ZINC000932702369	1005109258	/nfs/dbraw/zinc/10/92/58/1005109258.db2.gz	JICINNCCHMXSAK-KBPBESRZSA-N	1	0	368.478	1.623	20	30		FDEDRO
N#CC[C@@H](NC(=O)NCC(=O)NCC[NH+]1CCCCCC1)C(F)(F)F	ZINC000932900470	1005236072	/nfs/dbraw/zinc/23/60/72/1005236072.db2.gz	UHSNVPDMDODRKX-GFCCVEGCSA-N	1	0	363.384	1.122	20	30		FDEDRO
NC(=O)NC(=O)CN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F	ZINC000932938929	1005256513	/nfs/dbraw/zinc/25/65/13/1005256513.db2.gz	BKZJFRVDQKNNRL-SYDPRGILSA-N	1	0	369.212	1.284	20	30		FDEDRO
CCO[C@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1	ZINC000932970120	1005293481	/nfs/dbraw/zinc/29/34/81/1005293481.db2.gz	UNRFYJQVGCGSMR-JKSUJKDBSA-N	1	0	362.499	1.568	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)N[C@@H]([C@H]1CCOC1)C(F)(F)F	ZINC000933009601	1005314080	/nfs/dbraw/zinc/31/40/80/1005314080.db2.gz	IMFRYNJZACDHNY-STQMWFEESA-N	1	0	350.385	1.831	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCC[C@H]1CCC2(CCC2)O1)C1CC[NH+](C)CC1	ZINC000933062715	1005339258	/nfs/dbraw/zinc/33/92/58/1005339258.db2.gz	ZCZJWIQPGLPLQY-QGZVFWFLSA-N	1	0	361.486	1.150	20	30		FDEDRO
C#CCC1([NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)CCCCC1	ZINC000933268179	1005527872	/nfs/dbraw/zinc/52/78/72/1005527872.db2.gz	SKRXNTXTLMSCJY-UHFFFAOYSA-N	1	0	355.486	1.831	20	30		FDEDRO
C#CCC1([NH2+][C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CCC1	ZINC000933298634	1005535428	/nfs/dbraw/zinc/53/54/28/1005535428.db2.gz	FPQKKDNGJFGPFM-AWEZNQCLSA-N	1	0	363.483	1.800	20	30		FDEDRO
C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCO[C@](C)(C#N)C1	ZINC000933603086	1005587744	/nfs/dbraw/zinc/58/77/44/1005587744.db2.gz	FTWHBMDVJXSSIJ-YVWKXTFCSA-N	1	0	356.470	1.380	20	30		FDEDRO
C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC(c2ccc(C#N)cc2)CC1	ZINC000933613490	1005589028	/nfs/dbraw/zinc/58/90/28/1005589028.db2.gz	ZAXKTBUETNINOF-HNAYVOBHSA-N	1	0	368.481	1.850	20	30		FDEDRO
C=CCn1cc2ccc(NC(=O)N3CCN(C)CC[N@@H+](C)CC3)cc2n1	ZINC000933673599	1005604986	/nfs/dbraw/zinc/60/49/86/1005604986.db2.gz	KFPWBNMBZTURMQ-UHFFFAOYSA-N	1	0	356.474	1.933	20	30		FDEDRO
COC(=O)C1([C@@]2(O)CCC[N@H+](C[C@H](O)c3ccc(C#N)cc3)C2)CCC1	ZINC000933841259	1005646095	/nfs/dbraw/zinc/64/60/95/1005646095.db2.gz	QOVOFPRPNFCWPJ-FXAWDEMLSA-N	1	0	358.438	1.762	20	30		FDEDRO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCN(C)CC[N@H+](C)CC1	ZINC000933995075	1005675046	/nfs/dbraw/zinc/67/50/46/1005675046.db2.gz	YLKPPKXVKVSAMS-QPIRBTGLSA-N	1	0	363.550	1.485	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)CN2CCN(C)CC[N@@H+](C)CC2)c1C	ZINC000933996100	1005675877	/nfs/dbraw/zinc/67/58/77/1005675877.db2.gz	KWZDYTROANKNGV-UHFFFAOYSA-N	1	0	371.529	1.729	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1	ZINC000947132102	1005748992	/nfs/dbraw/zinc/74/89/92/1005748992.db2.gz	PZAQHTSKAFYIMG-HKUYNNGSSA-N	1	0	363.502	1.559	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000935631628	1005946514	/nfs/dbraw/zinc/94/65/14/1005946514.db2.gz	IAMFWJVRVVECGR-MSOLQXFVSA-N	1	0	354.454	1.648	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NC[C@@](C)(O)c3ccccc3)=[NH+]C[C@@H]2C1	ZINC000089120976	1006011371	/nfs/dbraw/zinc/01/13/71/1006011371.db2.gz	QQICNAGIDNIREJ-OXQOHEQNSA-N	1	0	374.485	1.775	20	30		FDEDRO
C[N@@H+]1CC[C@]2(CCN(CC(=O)[C@H](C#N)c3nc4ccccc4c(=O)[nH]3)C2)C1	ZINC000795312669	1006043190	/nfs/dbraw/zinc/04/31/90/1006043190.db2.gz	XQIRQGXCWKVORD-YWZLYKJASA-N	1	0	365.437	1.539	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cnc(C)nc1	ZINC001111107456	1006084038	/nfs/dbraw/zinc/08/40/38/1006084038.db2.gz	VMJKCUARMXIQJT-MKXGPGLRSA-N	1	0	371.485	1.477	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCN(C)S1(=O)=O)C2	ZINC001111129295	1006333907	/nfs/dbraw/zinc/33/39/07/1006333907.db2.gz	JNVOHTZKNMDXQB-NCOADZHNSA-N	1	0	371.547	1.712	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1	ZINC000954268097	1006582115	/nfs/dbraw/zinc/58/21/15/1006582115.db2.gz	BOYAXSXJRZUOHI-SQNIBIBYSA-N	1	0	363.502	1.510	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1	ZINC000954393695	1006688229	/nfs/dbraw/zinc/68/82/29/1006688229.db2.gz	DUBOORINOBQFOS-KSZLIROESA-N	1	0	363.502	1.510	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C(C)C)nn1C)C2	ZINC001111218815	1006935519	/nfs/dbraw/zinc/93/55/19/1006935519.db2.gz	SLHUDMNIZSJNKX-ABFRBSLYSA-N	1	0	373.501	1.569	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1nc3n(c1=O)CCCC3)C2	ZINC001111238084	1007020986	/nfs/dbraw/zinc/02/09/86/1007020986.db2.gz	JPKCDXACGLPQHT-HZMVEIRTSA-N	1	0	373.501	1.457	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncoc1C(C)(C)C)C2	ZINC001111244733	1007069291	/nfs/dbraw/zinc/06/92/91/1007069291.db2.gz	QHGSQBWEODTSEW-MCIONIFRSA-N	1	0	360.458	1.609	20	30		FDEDRO
N#Cc1cccc(NC(=O)N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1	ZINC001202782521	1007134873	/nfs/dbraw/zinc/13/48/73/1007134873.db2.gz	GMJMNYCFWCFSQD-DLBZAZTESA-N	1	0	364.409	1.718	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1	ZINC000955364993	1007383136	/nfs/dbraw/zinc/38/31/36/1007383136.db2.gz	ARKMZGRHKPHGMJ-JQHSSLGASA-N	1	0	363.502	1.511	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cccc(COC)c1)C2	ZINC001111269137	1007422440	/nfs/dbraw/zinc/42/24/40/1007422440.db2.gz	RYGKBVCXOCDGLD-QRVBRYPASA-N	1	0	371.481	1.399	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1	ZINC000947518585	1007671314	/nfs/dbraw/zinc/67/13/14/1007671314.db2.gz	CDKJVKHCLAQQTQ-BZSNNMDCSA-N	1	0	365.518	1.805	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C	ZINC000957089559	1007692262	/nfs/dbraw/zinc/69/22/62/1007692262.db2.gz	PJUIKASSKLMLOF-HZPDHXFCSA-N	1	0	356.470	1.347	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@](C)(NC(=O)C2CC[NH+](C)CC2)C1	ZINC000957166544	1007927340	/nfs/dbraw/zinc/92/73/40/1007927340.db2.gz	RGFUIRWNPNIBIA-ABSDTBQOSA-N	1	0	363.502	1.417	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@]2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC000957251722	1008038780	/nfs/dbraw/zinc/03/87/80/1008038780.db2.gz	JKMWKGZWECGKMF-AKCHCHLHSA-N	1	0	354.454	1.124	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C)cc1	ZINC000949947922	1008551876	/nfs/dbraw/zinc/55/18/76/1008551876.db2.gz	TUGCWMMGFZHIPG-CRAIPNDOSA-N	1	0	353.466	1.729	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc4nonc4c3)C[C@H]21	ZINC000959943985	1009173905	/nfs/dbraw/zinc/17/39/05/1009173905.db2.gz	FRAGNRVIJSXSHP-GVYRHCHYSA-N	1	0	368.437	1.750	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)C1	ZINC000959946097	1009179334	/nfs/dbraw/zinc/17/93/34/1009179334.db2.gz	WTXNBFXVYONNRB-ZIIYPAMZSA-N	1	0	352.438	1.019	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N(CCC)[C@H]1CC[N@H+](C)C1	ZINC000647031746	1009405357	/nfs/dbraw/zinc/40/53/57/1009405357.db2.gz	ZWPJOVVJUXHJKV-KRWDZBQOSA-N	1	0	359.470	1.810	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C	ZINC000779529316	1009693066	/nfs/dbraw/zinc/69/30/66/1009693066.db2.gz	LFSVTCRXIGTVPG-UHFFFAOYSA-N	1	0	363.433	1.822	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)CC2(C)C)CC[N@@H+]1C	ZINC000967047595	1017083939	/nfs/dbraw/zinc/08/39/39/1017083939.db2.gz	WNQALYXFJNLTFN-UNEWFSDZSA-N	1	0	371.485	1.583	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nc1	ZINC000950997113	1010270095	/nfs/dbraw/zinc/27/00/95/1010270095.db2.gz	UUFYMBAJSMBVNT-ZIFCJYIRSA-N	1	0	368.481	1.514	20	30		FDEDRO
C=CCn1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)nn1	ZINC000648351379	1010450700	/nfs/dbraw/zinc/45/07/00/1010450700.db2.gz	UTJIPEPVRJUHPB-RTBURBONSA-N	1	0	374.533	1.873	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NCCn2c3ccccc3[nH]c2=O)cc1OC	ZINC000304781038	1010489362	/nfs/dbraw/zinc/48/93/62/1010489362.db2.gz	GCRMCOGAWDHPNA-UHFFFAOYSA-N	1	0	355.398	1.774	20	30		FDEDRO
CCOc1ccc([C@@H](C)NC(=O)CCCNC(=[NH2+])N2CCOCC2)cc1	ZINC000304934178	1010619820	/nfs/dbraw/zinc/61/98/20/1010619820.db2.gz	GSRDLYYIEKSWPM-OAHLLOKOSA-N	1	0	362.474	1.690	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)cc1	ZINC000951236500	1010630550	/nfs/dbraw/zinc/63/05/50/1010630550.db2.gz	AUVJCDXJXFJXKG-AYOQOUSVSA-N	1	0	369.465	1.108	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1	ZINC000951255446	1010654742	/nfs/dbraw/zinc/65/47/42/1010654742.db2.gz	OIDABZFZSHMDKG-BZSNNMDCSA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000951460702	1010848369	/nfs/dbraw/zinc/84/83/69/1010848369.db2.gz	BTZHMFLMGLXIQQ-JQHSSLGASA-N	1	0	368.437	1.646	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2nnc(CC)n2C)C1	ZINC000962414236	1011242581	/nfs/dbraw/zinc/24/25/81/1011242581.db2.gz	IWVZOEYNNVLGRM-GULCKSEBSA-N	1	0	361.490	1.343	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@H]3[C@H]2CCCN3C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C	ZINC000962953077	1011707604	/nfs/dbraw/zinc/70/76/04/1011707604.db2.gz	DWGLNFAMHSSULL-BNEJOLLZSA-N	1	0	369.469	1.432	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@H]2OCCN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@H]2C1	ZINC000960953141	1011756723	/nfs/dbraw/zinc/75/67/23/1011756723.db2.gz	FMDBLDFPWRABKK-YESZJQIVSA-N	1	0	363.502	1.511	20	30		FDEDRO
COC[C@]1(C)CC(=O)N(CN2CCCN(c3ccccc3C#N)CC2)C1	ZINC000083107965	1011795285	/nfs/dbraw/zinc/79/52/85/1011795285.db2.gz	STWAEBZACNSPDP-HXUWFJFHSA-N	1	0	356.470	1.913	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC(N(CC2CC2)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC000952622010	1011883096	/nfs/dbraw/zinc/88/30/96/1011883096.db2.gz	AFOAHAWKVRAJFT-IIDMSEBBSA-N	1	0	360.502	1.716	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CCC([NH2+]Cc2nnc(C)[nH]2)CC1	ZINC000963338525	1012166649	/nfs/dbraw/zinc/16/66/49/1012166649.db2.gz	ZMXKPJKKYRKTCG-BACDZXNISA-N	1	0	361.490	1.954	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@]3(CCN(C(=O)c4ccc(C#N)[nH]4)C3)C2)CC[N@@H+]1C	ZINC000953152012	1012280344	/nfs/dbraw/zinc/28/03/44/1012280344.db2.gz	GIKIIABDBAZODM-KKVAFCGZSA-N	1	0	369.469	1.291	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000953818151	1012529336	/nfs/dbraw/zinc/52/93/36/1012529336.db2.gz	MEEWYNFIIBAUBF-SQNIBIBYSA-N	1	0	363.502	1.511	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)c1	ZINC000961802179	1012856542	/nfs/dbraw/zinc/85/65/42/1012856542.db2.gz	MEZZFIYTSBVUFE-WKULXVSPSA-N	1	0	352.438	1.006	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(OC)c(C#N)c3)C[C@H]21	ZINC000961826944	1012896603	/nfs/dbraw/zinc/89/66/03/1012896603.db2.gz	RUSXZYADHUDSPE-JGLNRKDHSA-N	1	0	367.449	1.704	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]cn4)C[C@H]3C2)C1	ZINC000961838682	1012917590	/nfs/dbraw/zinc/91/75/90/1012917590.db2.gz	NAXOKLHVNUHJFQ-QKPAOTATSA-N	1	0	354.454	1.786	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1	ZINC000963973679	1013036137	/nfs/dbraw/zinc/03/61/37/1013036137.db2.gz	ZKAVZEFYPHGGCH-TXTZMMAHSA-N	1	0	363.502	1.320	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3CC2)CC[N@@H+]1C	ZINC000967351626	1017412827	/nfs/dbraw/zinc/41/28/27/1017412827.db2.gz	CIPJHWVIQLIAFV-DFBDCSAJSA-N	1	0	360.502	1.573	20	30		FDEDRO
CC(=O)NC1CCC([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000190608764	178014029	/nfs/dbraw/zinc/01/40/29/178014029.db2.gz	ZRSISBYXDDAKJK-ACBHZAAOSA-N	1	0	354.454	1.696	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21	ZINC000190952157	178032574	/nfs/dbraw/zinc/03/25/74/178032574.db2.gz	WAIRJMSNTSFZRL-NVXWUHKLSA-N	1	0	370.453	1.838	20	30		FDEDRO
CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000191081220	178039285	/nfs/dbraw/zinc/03/92/85/178039285.db2.gz	HUVULQYZHCQWFE-QGZVFWFLSA-N	1	0	363.421	1.550	20	30		FDEDRO
CO[C@H](C)c1noc(CN2CCCN(Cc3cc(C#N)n(C)c3)CC2)n1	ZINC000191437682	178055846	/nfs/dbraw/zinc/05/58/46/178055846.db2.gz	KVWPYTGTIXGPHO-CQSZACIVSA-N	1	0	358.446	1.695	20	30		FDEDRO
CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000192344051	178110717	/nfs/dbraw/zinc/11/07/17/178110717.db2.gz	YYXWFDJXQWONCN-CRAIPNDOSA-N	1	0	371.485	1.689	20	30		FDEDRO
N#Cc1cc(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)ccn1	ZINC000193401069	178161144	/nfs/dbraw/zinc/16/11/44/178161144.db2.gz	UQWKYWPHYLXUCD-UHFFFAOYSA-N	1	0	350.422	1.840	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000193397384	178161151	/nfs/dbraw/zinc/16/11/51/178161151.db2.gz	PUGITHGVLINIJY-NOZJJQNGSA-N	1	0	358.261	1.597	20	30		FDEDRO
C[N@H+]1C[C@H]2CN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)C[C@H]2C1	ZINC000193622856	178173778	/nfs/dbraw/zinc/17/37/78/178173778.db2.gz	MMMXEWGHPRFBDN-IYBDPMFKSA-N	1	0	350.426	1.176	20	30		FDEDRO
C[C@H]1CCNC(=O)[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000194054061	178196736	/nfs/dbraw/zinc/19/67/36/178196736.db2.gz	RUTHONYUSPWYSU-MAUKXSAKSA-N	1	0	369.469	1.300	20	30		FDEDRO
CCC[C@H]1CN(C[C@@H](O)COc2ccc(C#N)cc2)CC[N@@H+]1CCOC	ZINC000245897735	178386976	/nfs/dbraw/zinc/38/69/76/178386976.db2.gz	KRSQONOXEYJULI-RBUKOAKNSA-N	1	0	361.486	1.731	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C[C@H](C)[N@H+]1C	ZINC000513269244	538991796	/nfs/dbraw/zinc/99/17/96/538991796.db2.gz	SUKPORYQBPOUJF-DAYGRLMNSA-N	1	0	354.454	1.600	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@@H]3CC[C@@H](C)C[C@H]3C)CC2)o1	ZINC000248584505	178525098	/nfs/dbraw/zinc/52/50/98/178525098.db2.gz	XAOLBGQKHBPWSJ-IIAWOOMASA-N	1	0	359.474	1.918	20	30		FDEDRO
CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)CCC(=O)N(C)CCC#N)CC1	ZINC000517199351	539351084	/nfs/dbraw/zinc/35/10/84/539351084.db2.gz	RGHVCAHAOGOMRU-HNNXBMFYSA-N	1	0	372.535	1.131	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2ccc(OCCC(=O)NC)cc2)CC1	ZINC000519342174	539481607	/nfs/dbraw/zinc/48/16/07/539481607.db2.gz	TWYKSSSRIVMYBE-UHFFFAOYSA-N	1	0	360.458	1.973	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)/C=C/c1ccc(C#N)cc1	ZINC000263786542	178967017	/nfs/dbraw/zinc/96/70/17/178967017.db2.gz	ZRHCJCAEMPPKNR-ZGKFYVQTSA-N	1	0	354.454	1.630	20	30		FDEDRO
CC[NH+]1CCN(CCC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC1	ZINC000264148641	179035877	/nfs/dbraw/zinc/03/58/77/179035877.db2.gz	PUKKGOYJDUASEL-UHFFFAOYSA-N	1	0	370.497	1.956	20	30		FDEDRO
N#Cc1cccc(OCCCCC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)c1	ZINC000264790186	179202519	/nfs/dbraw/zinc/20/25/19/179202519.db2.gz	RJOBDAHLNLFPMA-GOSISDBHSA-N	1	0	372.469	1.563	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3CC[N@@H+](C(C)C)C3)cc2C1=O	ZINC000522811414	539582250	/nfs/dbraw/zinc/58/22/50/539582250.db2.gz	PCINQVFAWVMHMP-AWEZNQCLSA-N	1	0	355.438	1.929	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1	ZINC000523076166	539598119	/nfs/dbraw/zinc/59/81/19/539598119.db2.gz	OBAQLZSDLWUAQL-ZDUSSCGKSA-N	1	0	359.430	1.001	20	30		FDEDRO
C=C(C)COc1cc(C[NH2+]C[C@](C)(O)CN2CCOCC2)ccc1OC	ZINC000525181695	539683816	/nfs/dbraw/zinc/68/38/16/539683816.db2.gz	IVEXRAYLGQRUJF-FQEVSTJZSA-N	1	0	364.486	1.823	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000268140448	180007032	/nfs/dbraw/zinc/00/70/32/180007032.db2.gz	KERJSEDIUQNHCR-RHSMWYFYSA-N	1	0	354.458	1.268	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000268187752	180020083	/nfs/dbraw/zinc/02/00/83/180020083.db2.gz	UZFCGIQAVXAOEJ-JXFKEZNVSA-N	1	0	367.497	1.868	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C	ZINC000268225493	180029738	/nfs/dbraw/zinc/02/97/38/180029738.db2.gz	REWCYBBVSAOWCX-KZULUSFZSA-N	1	0	366.469	1.749	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C	ZINC000268225495	180029781	/nfs/dbraw/zinc/02/97/81/180029781.db2.gz	REWCYBBVSAOWCX-XIKOKIGWSA-N	1	0	366.469	1.749	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1	ZINC000269008186	180197118	/nfs/dbraw/zinc/19/71/18/180197118.db2.gz	LORZCDOELZDFNC-GOEBONIOSA-N	1	0	356.426	1.448	20	30		FDEDRO
N#Cc1ccc(CC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cn1	ZINC000528706433	539776582	/nfs/dbraw/zinc/77/65/82/539776582.db2.gz	USWHHZRZTPYVDP-UHFFFAOYSA-N	1	0	364.449	1.769	20	30		FDEDRO
CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(C#N)cc1F	ZINC000269325932	180275131	/nfs/dbraw/zinc/27/51/31/180275131.db2.gz	KUSYDURSEGTUFS-ZDUSSCGKSA-N	1	0	350.394	1.109	20	30		FDEDRO
N#Cc1ccc(CC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cn1	ZINC000529003067	539798883	/nfs/dbraw/zinc/79/88/83/539798883.db2.gz	XAODJPXWXKNLLY-HXUWFJFHSA-N	1	0	364.449	1.769	20	30		FDEDRO
Cc1cc(N2CCC[C@@H]([NH2+]C[C@@H](O)COc3ccccc3C#N)C2)n(C)n1	ZINC000530234643	539916420	/nfs/dbraw/zinc/91/64/20/539916420.db2.gz	SETHTKQVUOSUPA-QZTJIDSGSA-N	1	0	369.469	1.599	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000530233690	539916643	/nfs/dbraw/zinc/91/66/43/539916643.db2.gz	GGSFESUIZUPBCU-MSOLQXFVSA-N	1	0	372.469	1.568	20	30		FDEDRO
COCCn1cc2c(n1)[C@H]([NH2+]C[C@H](O)COc1ccccc1C#N)CCC2	ZINC000530232112	539915464	/nfs/dbraw/zinc/91/54/64/539915464.db2.gz	NFNHUYYDLOAJEE-ZWKOTPCHSA-N	1	0	370.453	1.808	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+]1CC[C@H](C)C1	ZINC000530566960	540000716	/nfs/dbraw/zinc/00/07/16/540000716.db2.gz	OPAUGCGQHCMNCE-AWEZNQCLSA-N	1	0	358.442	1.742	20	30		FDEDRO
COc1ccc(-c2cc(C(=O)NC3(C#N)CC[NH+](C)CC3)[nH]n2)cc1OC	ZINC000530714812	540027865	/nfs/dbraw/zinc/02/78/65/540027865.db2.gz	OMVMPCLTEOQEQZ-UHFFFAOYSA-N	1	0	369.425	1.812	20	30		FDEDRO
C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1	ZINC000530806304	540046023	/nfs/dbraw/zinc/04/60/23/540046023.db2.gz	KONPOPQDRATACJ-LLVKDONJSA-N	1	0	366.368	1.556	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)Cn3cnc(C#N)n3)c(C)c2)CC1	ZINC000532667221	540182125	/nfs/dbraw/zinc/18/21/25/540182125.db2.gz	LPKOETLMCBJLHE-UHFFFAOYSA-N	1	0	353.430	1.239	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCC2)cc1C#N	ZINC000532935970	540191348	/nfs/dbraw/zinc/19/13/48/540191348.db2.gz	KESOKFHXTAPROI-AWEZNQCLSA-N	1	0	358.442	1.884	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)n(CCC#N)n1	ZINC000533010442	540193607	/nfs/dbraw/zinc/19/36/07/540193607.db2.gz	NOGGOFWNQBYCHB-UHFFFAOYSA-N	1	0	360.462	1.424	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1	ZINC000275102924	181238819	/nfs/dbraw/zinc/23/88/19/181238819.db2.gz	LFONDSQHJKRCEV-KBPBESRZSA-N	1	0	371.359	1.298	20	30		FDEDRO
N#Cc1ccc(C[NH2+]CCC(=O)N2CCN(c3ccccn3)CC2)c(F)c1	ZINC000533312203	540230003	/nfs/dbraw/zinc/23/00/03/540230003.db2.gz	BPEGMOCVIRUAIM-UHFFFAOYSA-N	1	0	367.428	1.921	20	30		FDEDRO
N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@@H](Cn4ccnn4)C3)C2=O)cc1	ZINC000533549409	540262138	/nfs/dbraw/zinc/26/21/38/540262138.db2.gz	CGLMNPULXUUMML-WBVHZDCISA-N	1	0	364.409	1.194	20	30		FDEDRO
N#CCc1ccc(C(=O)NCCN2CCN(c3ncccn3)CC2)cc1	ZINC000534625395	540391326	/nfs/dbraw/zinc/39/13/26/540391326.db2.gz	AOCJKSZGAKDKBZ-UHFFFAOYSA-N	1	0	350.426	1.095	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CCCc2nc(C3CC3)no2)c1C#N	ZINC000534791883	540412863	/nfs/dbraw/zinc/41/28/63/540412863.db2.gz	ZOMKVEMMODUKIO-UHFFFAOYSA-N	1	0	357.418	1.655	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2n[nH]c(=O)n2c1	ZINC000535700605	540494881	/nfs/dbraw/zinc/49/48/81/540494881.db2.gz	LZGPOIACWSIMFH-UHFFFAOYSA-N	1	0	364.409	1.511	20	30		FDEDRO
Cc1cnc(CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nc1	ZINC000536235001	540570134	/nfs/dbraw/zinc/57/01/34/540570134.db2.gz	SJUUFBOJHQSYDV-UHFFFAOYSA-N	1	0	366.469	1.973	20	30		FDEDRO
C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC2(CC1)NC(=O)N(C)C2=O	ZINC000536372929	540585508	/nfs/dbraw/zinc/58/55/08/540585508.db2.gz	WOULQAXFOFEYKR-INIZCTEOSA-N	1	0	373.453	1.171	20	30		FDEDRO
C=CCc1cc(CN2CC[NH+](CCC(=O)N(C)C)CC2)cc(OC)c1O	ZINC000536663822	540638177	/nfs/dbraw/zinc/63/81/77/540638177.db2.gz	XPZBVYGKHUWFPF-UHFFFAOYSA-N	1	0	361.486	1.725	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1	ZINC000537160174	540693682	/nfs/dbraw/zinc/69/36/82/540693682.db2.gz	FQWNZKIMPDPYBH-KRWDZBQOSA-N	1	0	358.486	1.889	20	30		FDEDRO
C=CCCOCCCCC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000537187857	540697881	/nfs/dbraw/zinc/69/78/81/540697881.db2.gz	CAGUWRPLJHJIDA-KRWDZBQOSA-N	1	0	351.491	1.514	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@]3(CCCOC3)C2)CC1	ZINC000538147614	540816800	/nfs/dbraw/zinc/81/68/00/540816800.db2.gz	NYOHBVOFRRBMAM-UYAOXDASSA-N	1	0	362.518	1.571	20	30		FDEDRO
C=CC[C@@H](CO)CNC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000538212094	540825682	/nfs/dbraw/zinc/82/56/82/540825682.db2.gz	BGTNQCWBQDZXAR-IEBWSBKVSA-N	1	0	360.502	1.459	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1	ZINC000269054764	674106033	/nfs/dbraw/zinc/10/60/33/674106033.db2.gz	WCUWKJOZTLJHRC-FJAMSSDQSA-N	1	0	350.444	1.190	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H](C)C(=O)N1CCCC1)C(C)C	ZINC000538611253	540873136	/nfs/dbraw/zinc/87/31/36/540873136.db2.gz	AWBFFXSOCNKHST-IRXDYDNUSA-N	1	0	350.507	1.995	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000539361895	540951207	/nfs/dbraw/zinc/95/12/07/540951207.db2.gz	IAFXVIJJPKUUDD-UHFFFAOYSA-N	1	0	358.442	1.027	20	30		FDEDRO
C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)n1cnc(C#N)n1	ZINC000539741976	540986933	/nfs/dbraw/zinc/98/69/33/540986933.db2.gz	ULAUDNIWWAWXSY-AWEZNQCLSA-N	1	0	351.414	1.173	20	30		FDEDRO
COc1ccc(C2([NH2+]CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CC2)cc1	ZINC000540360199	541049799	/nfs/dbraw/zinc/04/97/99/541049799.db2.gz	LZWSJTYQGIKIJE-LJQANCHMSA-N	1	0	370.497	1.966	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@H]4[C@@H]3CCCN4CCO)C2=O)cc1	ZINC000934263990	781941418	/nfs/dbraw/zinc/94/14/18/781941418.db2.gz	LGANVAXTSJSHRG-FHWLQOOXSA-N	1	0	354.454	1.195	20	30		FDEDRO
COC(=O)Cn1cc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)nn1	ZINC000540628198	541083584	/nfs/dbraw/zinc/08/35/84/541083584.db2.gz	ULSJHZRKMLHTMX-UHFFFAOYSA-N	1	0	353.426	1.945	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000934265862	781945066	/nfs/dbraw/zinc/94/50/66/781945066.db2.gz	XLMPTBGRHFIWDD-MISYRCLQSA-N	1	0	370.497	1.853	20	30		FDEDRO
Cc1onc(CC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1C#N	ZINC000540925874	541115695	/nfs/dbraw/zinc/11/56/95/541115695.db2.gz	YVDVKCFTMZJPNW-IBGZPJMESA-N	1	0	354.410	1.150	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1	ZINC000269201946	674107564	/nfs/dbraw/zinc/10/75/64/674107564.db2.gz	MVUAMJNEOMSFBX-ZFWWWQNUSA-N	1	0	351.472	1.269	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)C[C@H]1[NH+]1CCCC1	ZINC000275540891	181345876	/nfs/dbraw/zinc/34/58/76/181345876.db2.gz	ZHJVJAIMFLCGCC-CABCVRRESA-N	1	0	352.485	1.154	20	30		FDEDRO
CCC[C@@](C)([NH3+])C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1	ZINC000269253006	674108117	/nfs/dbraw/zinc/10/81/17/674108117.db2.gz	NNSVLGAFEJDHPF-MNTXUITRSA-N	1	0	366.487	1.955	20	30		FDEDRO
CCc1ccc([C@H](CO)[NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1	ZINC000541982851	541312669	/nfs/dbraw/zinc/31/26/69/541312669.db2.gz	BJMDDLIJQJWECH-PMACEKPBSA-N	1	0	372.513	1.564	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1cnn(C)c1	ZINC000544469544	541772552	/nfs/dbraw/zinc/77/25/52/541772552.db2.gz	UQJUOJZMUBFOGS-HOCLYGCPSA-N	1	0	372.498	1.541	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)CC2)n1	ZINC000544854393	541843601	/nfs/dbraw/zinc/84/36/01/541843601.db2.gz	LOHGNBHJHOBSRO-HNNXBMFYSA-N	1	0	354.458	1.269	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	ZINC000282377346	182001089	/nfs/dbraw/zinc/00/10/89/182001089.db2.gz	CJEVSIYWIBGKMS-UHFFFAOYSA-N	1	0	350.488	1.171	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc2[nH]c(=O)[nH]c2n1	ZINC000282864869	182067921	/nfs/dbraw/zinc/06/79/21/182067921.db2.gz	ABGZINWMOLGEAH-UHFFFAOYSA-N	1	0	364.409	1.327	20	30		FDEDRO
CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cc(C#N)ccn1	ZINC000282924983	182078089	/nfs/dbraw/zinc/07/80/89/182078089.db2.gz	FNSPWHHFWCHRTE-MRXNPFEDSA-N	1	0	358.442	1.833	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000545296465	541928517	/nfs/dbraw/zinc/92/85/17/541928517.db2.gz	WCMBCAKOBODETF-GASCZTMLSA-N	1	0	372.469	1.990	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1	ZINC000545296729	541928750	/nfs/dbraw/zinc/92/87/50/541928750.db2.gz	QVQNVGFLFNRMRA-UHFFFAOYSA-N	1	0	358.442	1.886	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1	ZINC000283897894	182308811	/nfs/dbraw/zinc/30/88/11/182308811.db2.gz	WBHQTANYDIFBQO-UHFFFAOYSA-N	1	0	360.418	1.039	20	30		FDEDRO
C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NCc2cccc(C#N)c2)C1	ZINC000284059785	182352134	/nfs/dbraw/zinc/35/21/34/182352134.db2.gz	QPNKMQMLCMJYTM-IYBDPMFKSA-N	1	0	356.470	1.659	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(c2cccc(C#N)n2)CC1)C1=CC[N@H+](C)CC1	ZINC000545480247	541982416	/nfs/dbraw/zinc/98/24/16/541982416.db2.gz	FMDJGCJXPSSKQP-HNNXBMFYSA-N	1	0	354.458	1.435	20	30		FDEDRO
CCCC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2cccc(C#N)c2)CC1	ZINC000286002939	182959401	/nfs/dbraw/zinc/95/94/01/182959401.db2.gz	UGKKCZWRYSNBPK-UHFFFAOYSA-N	1	0	356.470	1.897	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+]CCCN3CCC[C@@H]3C(N)=O)CC2)cc1	ZINC000286246157	183023543	/nfs/dbraw/zinc/02/35/43/183023543.db2.gz	UEJUHQQQHLBKHC-LJQANCHMSA-N	1	0	355.486	1.456	20	30		FDEDRO
Cc1cc(C#N)nc(N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)n1	ZINC000286350282	183045623	/nfs/dbraw/zinc/04/56/23/183045623.db2.gz	RGEQBDCCYVCNQL-UHFFFAOYSA-N	1	0	370.501	1.865	20	30		FDEDRO
COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(Cc2ccc(C#N)cc2)C(C)C)C1	ZINC000286412327	183060315	/nfs/dbraw/zinc/06/03/15/183060315.db2.gz	CRKMXNRJYALLJG-SFHVURJKSA-N	1	0	372.469	1.132	20	30		FDEDRO
C[C@@H](NC(=O)NCCn1cnc(C#N)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000286589285	183104460	/nfs/dbraw/zinc/10/44/60/183104460.db2.gz	APFJEMFNBPGYTP-WBVHZDCISA-N	1	0	367.457	1.360	20	30		FDEDRO
C[C@H](NC(=O)NCCn1cnc(C#N)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000286589273	183104604	/nfs/dbraw/zinc/10/46/04/183104604.db2.gz	APFJEMFNBPGYTP-DOTOQJQBSA-N	1	0	367.457	1.360	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCn1cnc(C#N)n1	ZINC000286674014	183125532	/nfs/dbraw/zinc/12/55/32/183125532.db2.gz	MDVIZUYYADBRKD-WBVHZDCISA-N	1	0	367.457	1.360	20	30		FDEDRO
CC[NH+](CC)Cc1ccccc1CNC(=O)NCCn1cnc(C#N)n1	ZINC000286695456	183130703	/nfs/dbraw/zinc/13/07/03/183130703.db2.gz	PQODSFAHJLHQGM-UHFFFAOYSA-N	1	0	355.446	1.491	20	30		FDEDRO
CN(C[C@@H]1CC[N@H+](C)C1)S(=O)(=O)c1cccc(Br)c1C#N	ZINC000287002102	183191141	/nfs/dbraw/zinc/19/11/41/183191141.db2.gz	UDCZVDXVHCLEPJ-LLVKDONJSA-N	1	0	372.288	1.893	20	30		FDEDRO
C[C@@H](CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)C[NH+]1CCCC1	ZINC000291722119	183814193	/nfs/dbraw/zinc/81/41/93/183814193.db2.gz	WWIUJSIITIWVHT-RDJZCZTQSA-N	1	0	357.458	1.848	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CCCC1	ZINC000291796804	183824927	/nfs/dbraw/zinc/82/49/27/183824927.db2.gz	XQYZLWOYXHEBKR-MRXNPFEDSA-N	1	0	357.458	1.990	20	30		FDEDRO
COCCOC[C@@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000295430038	184070403	/nfs/dbraw/zinc/07/04/03/184070403.db2.gz	YZIBSBRLDLKGOE-HNNXBMFYSA-N	1	0	352.406	1.564	20	30		FDEDRO
C[C@H]1C[C@H](S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)CCO1	ZINC000295449443	184072969	/nfs/dbraw/zinc/07/29/69/184072969.db2.gz	PKJAHCHNDUCRDO-MAUKXSAKSA-N	1	0	365.499	1.819	20	30		FDEDRO
C[C@@H]1C[C@@H](S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)CCO1	ZINC000295449446	184073011	/nfs/dbraw/zinc/07/30/11/184073011.db2.gz	PKJAHCHNDUCRDO-QAPCUYQASA-N	1	0	365.499	1.819	20	30		FDEDRO
Cc1oc(NC(=O)[C@H](C)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c(C#N)c1C	ZINC000295356427	184062076	/nfs/dbraw/zinc/06/20/76/184062076.db2.gz	OEBADFLUNVCEDU-JQWIXIFHSA-N	1	0	359.386	1.651	20	30		FDEDRO
CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000296265435	184147101	/nfs/dbraw/zinc/14/71/01/184147101.db2.gz	MAJKRBWBMYGRPZ-MRXNPFEDSA-N	1	0	357.451	1.474	20	30		FDEDRO
C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)Cc3ccc(F)cc3C#N)C2)C1	ZINC000297142709	184238242	/nfs/dbraw/zinc/23/82/42/184238242.db2.gz	QWQLNFULYZIJDY-KRWDZBQOSA-N	1	0	351.447	1.945	20	30		FDEDRO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1	ZINC000297762590	184324676	/nfs/dbraw/zinc/32/46/76/184324676.db2.gz	IAWUIQHPTQRIBT-SFHVURJKSA-N	1	0	354.454	1.603	20	30		FDEDRO
CCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)C(=O)N(C)CC(=O)NC1CC1	ZINC000298001456	184373008	/nfs/dbraw/zinc/37/30/08/184373008.db2.gz	XXRUCQFMLBRVRI-OAHLLOKOSA-N	1	0	356.470	1.896	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1	ZINC000172291215	258272389	/nfs/dbraw/zinc/27/23/89/258272389.db2.gz	IYNIBSXOQLOABZ-HNNXBMFYSA-N	1	0	358.442	1.694	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]C2CCN(Cc3ccncc3)CC2)cc1	ZINC000548926492	542808380	/nfs/dbraw/zinc/80/83/80/542808380.db2.gz	UXCWEWVLZJKOQW-HXUWFJFHSA-N	1	0	366.465	1.947	20	30		FDEDRO
C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccc(C#N)cc1	ZINC000549162698	542845959	/nfs/dbraw/zinc/84/59/59/542845959.db2.gz	QSXMHBPXDYRESL-OLZOCXBDSA-N	1	0	372.450	1.883	20	30		FDEDRO
COc1ccc(C(=O)NCC[NH2+]Cc2cnc3c(C#N)cnn3c2)cc1	ZINC000549721893	542923180	/nfs/dbraw/zinc/92/31/80/542923180.db2.gz	LKFKJIWIPTTWMJ-UHFFFAOYSA-N	1	0	350.382	1.129	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1	ZINC000550706266	543154524	/nfs/dbraw/zinc/15/45/24/543154524.db2.gz	CCYOBRACTVQHQN-FJIDUMEYSA-N	1	0	365.518	1.568	20	30		FDEDRO
CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)N2CCC(C#N)CC2)c1	ZINC000550919897	543199341	/nfs/dbraw/zinc/19/93/41/543199341.db2.gz	DGZCVOYFLLRPIP-UHFFFAOYSA-N	1	0	356.470	1.907	20	30		FDEDRO
C=CCCCCNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1	ZINC000551019550	543217218	/nfs/dbraw/zinc/21/72/18/543217218.db2.gz	MWBLUJYINBIDNB-UHFFFAOYSA-N	1	0	353.532	1.937	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]([C@@H](C)O)C1)C(C)C	ZINC000551213332	543253219	/nfs/dbraw/zinc/25/32/19/543253219.db2.gz	NXGXPPWCJJJSJW-KZNAEPCWSA-N	1	0	365.518	1.421	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1	ZINC000551371427	543275924	/nfs/dbraw/zinc/27/59/24/543275924.db2.gz	VJXMCJBJWWXSQU-GRDNDAEWSA-N	1	0	370.453	1.694	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H](c1cncc(Br)c1)C1CC1	ZINC000551421976	543283708	/nfs/dbraw/zinc/28/37/08/543283708.db2.gz	MUIBCSFHMOJDLT-AWEZNQCLSA-N	1	0	367.247	1.897	20	30		FDEDRO
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)c2cscc2C#N)CC1	ZINC000551487417	543292091	/nfs/dbraw/zinc/29/20/91/543292091.db2.gz	ZXBLFNRSQWUERF-UHFFFAOYSA-N	1	0	362.499	1.976	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)C1	ZINC000552709891	543506667	/nfs/dbraw/zinc/50/66/67/543506667.db2.gz	OPMPTCGZNUVNNZ-SFHVURJKSA-N	1	0	356.470	1.753	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1	ZINC000552781935	543517245	/nfs/dbraw/zinc/51/72/45/543517245.db2.gz	IQIGAUFXVQRFTB-MNAZLIDISA-N	1	0	351.491	1.320	20	30		FDEDRO
COc1ccc(C[N@@H+]2CCCN(C(=O)Cn3cc(C#N)cn3)CC2)cc1	ZINC000450948723	782020233	/nfs/dbraw/zinc/02/02/33/782020233.db2.gz	HFKVBKPLTBINJK-UHFFFAOYSA-N	1	0	353.426	1.498	20	30		FDEDRO
CCS(=O)(=O)NCCN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000068803060	172023170	/nfs/dbraw/zinc/02/31/70/172023170.db2.gz	MKXPBWXDPMVWGZ-UHFFFAOYSA-N	1	0	350.488	1.005	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)c1	ZINC000077784160	172137422	/nfs/dbraw/zinc/13/74/22/172137422.db2.gz	UBVISFIKUDIUNN-UHFFFAOYSA-N	1	0	356.426	1.068	20	30		FDEDRO
C[C@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)N1CC[NH+](C)CC1	ZINC000078049910	172141326	/nfs/dbraw/zinc/14/13/26/172141326.db2.gz	CFJZKOGIVUILMJ-GFCCVEGCSA-N	1	0	356.879	1.126	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1	ZINC000093277603	172316471	/nfs/dbraw/zinc/31/64/71/172316471.db2.gz	GTVUHZMJPKPBMX-UHFFFAOYSA-N	1	0	363.421	1.925	20	30		FDEDRO
CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000104752044	172384200	/nfs/dbraw/zinc/38/42/00/172384200.db2.gz	FVYMNCOFULSRSW-UHFFFAOYSA-N	1	0	357.451	1.676	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](C[NH+]2CCCC2)C1	ZINC000127129057	173065958	/nfs/dbraw/zinc/06/59/58/173065958.db2.gz	XXZPJQNHXFSMDH-MRXNPFEDSA-N	1	0	356.470	1.740	20	30		FDEDRO
Cc1oc(NC(=O)[C@H](C)N2CC[C@H](C[NH+]3CCOCC3)C2)c(C#N)c1C	ZINC000129147509	173129615	/nfs/dbraw/zinc/12/96/15/173129615.db2.gz	DRMDFZPCVWIEJZ-GOEBONIOSA-N	1	0	360.458	1.749	20	30		FDEDRO
COC(=O)CN1CCC([NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000136396096	173360907	/nfs/dbraw/zinc/36/09/07/173360907.db2.gz	LROQINHKQJMFAA-KRWDZBQOSA-N	1	0	374.460	1.893	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@@H]3CCC[C@H](C)[C@@H]3C)CC2)o1	ZINC000163053658	173783583	/nfs/dbraw/zinc/78/35/83/173783583.db2.gz	PVFPDTVIBBHLCS-OFQRWUPVSA-N	1	0	359.474	1.918	20	30		FDEDRO
C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1	ZINC000175394868	174004765	/nfs/dbraw/zinc/00/47/65/174004765.db2.gz	WFMGVIXMWMZSBO-UHFFFAOYSA-N	1	0	359.474	1.443	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(CCn3ccc([N+](=O)[O-])n3)CC2)cc1	ZINC000176201235	174057609	/nfs/dbraw/zinc/05/76/09/174057609.db2.gz	ZCWVWUYGWBEIJL-UHFFFAOYSA-N	1	0	354.414	1.871	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)NCCN1CCC([NH+](C)C)CC1	ZINC000176918345	174094934	/nfs/dbraw/zinc/09/49/34/174094934.db2.gz	HTQZZGBMNPNYKD-UHFFFAOYSA-N	1	0	350.488	1.171	20	30		FDEDRO
COCC(=O)N1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC000179920571	258359834	/nfs/dbraw/zinc/35/98/34/258359834.db2.gz	JLXQPMOIZGUUCW-UHFFFAOYSA-N	1	0	353.426	1.249	20	30		FDEDRO
N#Cc1ccc(CN2CCC([NH2+]CCNC(=O)c3ccn[nH]3)CC2)cc1	ZINC000180209013	258363690	/nfs/dbraw/zinc/36/36/90/258363690.db2.gz	FZEQLISXJDFPDZ-UHFFFAOYSA-N	1	0	352.442	1.265	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[N@@H+]1C1CC1	ZINC000193134198	258393414	/nfs/dbraw/zinc/39/34/14/258393414.db2.gz	MUGYPMHCIRPKLR-OCCSQVGLSA-N	1	0	357.458	1.795	20	30		FDEDRO
C[C@@H]1CN(C(C)(C)C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)C[C@H](C)O1	ZINC000553295355	543605308	/nfs/dbraw/zinc/60/53/08/543605308.db2.gz	WLXMITOUMQETLG-JZXOWHBKSA-N	1	0	361.486	1.775	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1	ZINC000553330294	543610608	/nfs/dbraw/zinc/61/06/08/543610608.db2.gz	DJOXXCLUDJCJAO-BBWFWOEESA-N	1	0	361.486	1.217	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H](C)Cc2ccc(O)cc2)CC1	ZINC000553397852	543626508	/nfs/dbraw/zinc/62/65/08/543626508.db2.gz	ZYCBJMBGFOGANU-MRXNPFEDSA-N	1	0	373.497	1.938	20	30		FDEDRO
CC[NH+]1CCC(NC(=O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)CC1	ZINC000555700589	544008979	/nfs/dbraw/zinc/00/89/79/544008979.db2.gz	OTIQQVUKAMKASS-UHFFFAOYSA-N	1	0	369.469	1.066	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)Cc1ccccc1	ZINC000555815423	544035628	/nfs/dbraw/zinc/03/56/28/544035628.db2.gz	SCGKWIRZEGUYMP-INIZCTEOSA-N	1	0	351.410	1.181	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000557436654	544291485	/nfs/dbraw/zinc/29/14/85/544291485.db2.gz	ZHZFLIPFRCJJGP-GOSISDBHSA-N	1	0	359.470	1.286	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000558210784	544400244	/nfs/dbraw/zinc/40/02/44/544400244.db2.gz	PEOFWRUXOZDFAN-YJBOKZPZSA-N	1	0	356.470	1.894	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1	ZINC000558211355	544400552	/nfs/dbraw/zinc/40/05/52/544400552.db2.gz	ZHMOXVQHONPUIB-QAPCUYQASA-N	1	0	356.470	1.896	20	30		FDEDRO
CC(C)[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)N1CCOCC1	ZINC000558761884	544526408	/nfs/dbraw/zinc/52/64/08/544526408.db2.gz	RHCBRMGRAISOBF-GOSISDBHSA-N	1	0	365.499	1.278	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCO[C@@H]2CCCC[C@@H]2C)CC1	ZINC000559821210	544809704	/nfs/dbraw/zinc/80/97/04/544809704.db2.gz	PRNVFKSCFIAIEF-FUHWJXTLSA-N	1	0	365.518	1.855	20	30		FDEDRO
CC1(C)COC[C@@H]1[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000560319586	544952209	/nfs/dbraw/zinc/95/22/09/544952209.db2.gz	AQLDANXLDAOOFS-ZBFHGGJFSA-N	1	0	362.499	1.472	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2COc3ccccc3O2)cc1	ZINC000560369213	544979116	/nfs/dbraw/zinc/97/91/16/544979116.db2.gz	OVQSDILMCDMGHD-SJLPKXTDSA-N	1	0	354.406	1.922	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)NC3CC[NH+](C4CCC4)CC3)CC2)n1	ZINC000560430715	545005504	/nfs/dbraw/zinc/00/55/04/545005504.db2.gz	QOLGGCFWRDGZSO-UHFFFAOYSA-N	1	0	368.485	1.802	20	30		FDEDRO
C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000293634753	258888406	/nfs/dbraw/zinc/88/84/06/258888406.db2.gz	ZMHJKCCSZHYPLS-GVDBMIGSSA-N	1	0	357.458	1.989	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1(C)C	ZINC000293733162	258893752	/nfs/dbraw/zinc/89/37/52/258893752.db2.gz	WOGAEUZWTSFJLN-UHFFFAOYSA-N	1	0	369.391	1.728	20	30		FDEDRO
C[C@H]1C[C@H](C)C[NH+](CCCNc2ccc(S(N)(=O)=O)cc2C#N)C1	ZINC000301369323	259026283	/nfs/dbraw/zinc/02/62/83/259026283.db2.gz	OVZUCOBFAVBHKD-KBPBESRZSA-N	1	0	350.488	1.986	20	30		FDEDRO
Cn1c(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(C#N)c(=O)n(C)c1=O	ZINC000301428396	259027650	/nfs/dbraw/zinc/02/76/50/259027650.db2.gz	PRRDLNSYCPYRBU-WFASDCNBSA-N	1	0	373.482	1.512	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2OCCN([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)[C@@H]2C1	ZINC000329017829	259072260	/nfs/dbraw/zinc/07/22/60/259072260.db2.gz	KTIHUUSOLFZULJ-QRVBRYPASA-N	1	0	354.454	1.459	20	30		FDEDRO
N#Cc1ccccc1N1CCC[N@@H+]([C@H]2CCN(C3CCOCC3)C2=O)CC1	ZINC000330012554	259122144	/nfs/dbraw/zinc/12/21/44/259122144.db2.gz	KTHOLQWSHGKHDR-FQEVSTJZSA-N	1	0	368.481	1.850	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)C(=O)Nc1ccccc1C#N	ZINC000331171044	259180047	/nfs/dbraw/zinc/18/00/47/259180047.db2.gz	IGSBGHYLZGLJMA-APHBMKBZSA-N	1	0	364.471	1.335	20	30		FDEDRO
C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2ccc(C#N)s2)CC1	ZINC000331217771	259181581	/nfs/dbraw/zinc/18/15/81/259181581.db2.gz	GMXDPCSAWCBEBF-LBPRGKRZSA-N	1	0	357.501	1.333	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1nnc(-c2cccc(C#N)c2)o1	ZINC000331296715	259186134	/nfs/dbraw/zinc/18/61/34/259186134.db2.gz	OCODLMROVRJEPM-CQSZACIVSA-N	1	0	355.442	1.885	20	30		FDEDRO
C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000331301231	259186569	/nfs/dbraw/zinc/18/65/69/259186569.db2.gz	PNPATMJBJBKADO-QWHCGFSZSA-N	1	0	366.443	1.865	20	30		FDEDRO
N#Cc1cc(NC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)ccc1F	ZINC000331831438	259222988	/nfs/dbraw/zinc/22/29/88/259222988.db2.gz	RZNZMGZYELLTIV-CYBMUJFWSA-N	1	0	359.405	1.373	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000332071991	259238984	/nfs/dbraw/zinc/23/89/84/259238984.db2.gz	WDFLQPKOTQCRIB-FUHIMQAGSA-N	1	0	369.513	1.843	20	30		FDEDRO
Cc1onc(CC(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1C#N	ZINC000332260723	259253128	/nfs/dbraw/zinc/25/31/28/259253128.db2.gz	GFCLLNWGQMLGMP-ZIAGYGMSSA-N	1	0	360.458	1.745	20	30		FDEDRO
CO[C@H]1CC[N@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)[C@@H](C)C1	ZINC000332266448	259253435	/nfs/dbraw/zinc/25/34/35/259253435.db2.gz	DGQPNFRCARTVJX-ZFWWWQNUSA-N	1	0	361.446	1.003	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1	ZINC000332531839	259274328	/nfs/dbraw/zinc/27/43/28/259274328.db2.gz	VXYXSPDSCGWEGH-UHFFFAOYSA-N	1	0	356.474	1.659	20	30		FDEDRO
CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000332649257	259285827	/nfs/dbraw/zinc/28/58/27/259285827.db2.gz	SZRVNUVVALPXIY-STQMWFEESA-N	1	0	364.427	1.714	20	30		FDEDRO
N#Cc1ccc(OC2CCC(NC(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)nc1	ZINC000333780845	259380597	/nfs/dbraw/zinc/38/05/97/259380597.db2.gz	KUUVLFJHTRXZGI-VYMRPNJYSA-N	1	0	369.469	1.894	20	30		FDEDRO
N#Cc1ccc(OC2CCC(NC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)CC2)nc1	ZINC000333845735	259387078	/nfs/dbraw/zinc/38/70/78/259387078.db2.gz	WEUAKMZUHMJTSJ-VXLLPVPCSA-N	1	0	355.442	1.647	20	30		FDEDRO
N#Cc1ccc(CN2CCN(C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1	ZINC000333914298	259393431	/nfs/dbraw/zinc/39/34/31/259393431.db2.gz	MJLROFMONPBLDM-XUVXKRRUSA-N	1	0	367.497	1.774	20	30		FDEDRO
N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)nc1	ZINC000333922991	259393741	/nfs/dbraw/zinc/39/37/41/259393741.db2.gz	RWIPIQAPLZSZNN-YYIAUSFCSA-N	1	0	355.442	1.504	20	30		FDEDRO
CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1	ZINC000365055200	259808557	/nfs/dbraw/zinc/80/85/57/259808557.db2.gz	OPGKZTXOCAXOIU-OALUTQOASA-N	1	0	368.481	1.849	20	30		FDEDRO
C[C@@H]1C[C@H](N2CCOCC2)CN1N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000367574173	260062950	/nfs/dbraw/zinc/06/29/50/260062950.db2.gz	HBESRBDGGPROAY-NQIIRXRSSA-N	1	0	371.529	1.632	20	30		FDEDRO
COC(=O)c1cn([C@@H]2CCCN(Cc3cc(C#N)ccc3OC)C2)nn1	ZINC000368357657	260171554	/nfs/dbraw/zinc/17/15/54/260171554.db2.gz	MQTZNCLOQNZIPF-OAHLLOKOSA-N	1	0	355.398	1.782	20	30		FDEDRO
CN(CC(=O)NCc1cccc(C#N)c1)C1CC[NH+](C2CCOCC2)CC1	ZINC000368860655	260250657	/nfs/dbraw/zinc/25/06/57/260250657.db2.gz	XXIVDQNHSAMQAJ-UHFFFAOYSA-N	1	0	370.497	1.750	20	30		FDEDRO
N#Cc1ccc(SCC(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1	ZINC000368960355	260267484	/nfs/dbraw/zinc/26/74/84/260267484.db2.gz	KCEBNYUXIRGTAB-QGZVFWFLSA-N	1	0	372.494	1.591	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC([C@H](O)c2ncc[nH]2)CC1	ZINC000369175149	260307339	/nfs/dbraw/zinc/30/73/39/260307339.db2.gz	VCDCWGQUJFAWFL-INIZCTEOSA-N	1	0	360.439	1.724	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)ccc1F	ZINC000286250795	675893316	/nfs/dbraw/zinc/89/33/16/675893316.db2.gz	VDNHCUXUIVSOHR-HWWQOWPSSA-N	1	0	369.462	1.406	20	30		FDEDRO
Cc1nc(CN2CCC[C@H]([NH2+][C@H](C)C(=O)Nc3cccc(C#N)c3)C2)no1	ZINC000370979857	260640060	/nfs/dbraw/zinc/64/00/60/260640060.db2.gz	QNDZBKKRCNOXBA-DYVFJYSZSA-N	1	0	368.441	1.831	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)cc1	ZINC000372579840	260892692	/nfs/dbraw/zinc/89/26/92/260892692.db2.gz	XZBGRBUDNZXNND-WBVHZDCISA-N	1	0	356.426	1.114	20	30		FDEDRO
Cn1cc(CN2C[C@@H](F)C[C@H]2C[NH2+]Cc2cnc3ccc(C#N)cn23)cn1	ZINC000373386378	261006277	/nfs/dbraw/zinc/00/62/77/261006277.db2.gz	HOSGIJYMXCSQLV-IRXDYDNUSA-N	1	0	367.432	1.642	20	30		FDEDRO
N#Cc1ncn(C2CC[NH+](CCC(=O)c3ccc4c(c3)OCCO4)CC2)n1	ZINC000373402842	261007918	/nfs/dbraw/zinc/00/79/18/261007918.db2.gz	KYAPWJAPHFHFRF-UHFFFAOYSA-N	1	0	367.409	1.831	20	30		FDEDRO
C[C@@H](C(=O)N1CCC(n2cnc(C#N)n2)CC1)[N@@H+]1CCc2ccccc2C1	ZINC000373416831	261009146	/nfs/dbraw/zinc/00/91/46/261009146.db2.gz	JIKGEMSFKRTRBS-HNNXBMFYSA-N	1	0	364.453	1.760	20	30		FDEDRO
N#Cc1ccccc1N1CCC[C@@H](NS(=O)(=O)CC[NH+]2CCCC2)C1	ZINC000373718589	261033817	/nfs/dbraw/zinc/03/38/17/261033817.db2.gz	FRMZDNSGBCJMEZ-QGZVFWFLSA-N	1	0	362.499	1.542	20	30		FDEDRO
C[C@H]1CN(CC(=O)NCc2cccc(C#N)c2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000374323375	261110667	/nfs/dbraw/zinc/11/06/67/261110667.db2.gz	IBMPZDXQTDXOOF-FXAWDEMLSA-N	1	0	369.513	1.132	20	30		FDEDRO
CN1CCN(C2CC[NH+](CCCOc3cccc(C#N)c3)CC2)C(=O)C1	ZINC000374725025	261181934	/nfs/dbraw/zinc/18/19/34/261181934.db2.gz	CLQLRMLYTXXJAY-UHFFFAOYSA-N	1	0	356.470	1.566	20	30		FDEDRO
C[C@H](NCC(=O)N1CCNC1=O)c1nc(-c2ccc(C#N)cc2)cs1	ZINC000374942384	261231720	/nfs/dbraw/zinc/23/17/20/261231720.db2.gz	DQPSZSODZGGXBV-NSHDSACASA-N	1	0	355.423	1.884	20	30		FDEDRO
C[C@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1=O)c1ccc(C#N)s1	ZINC000378573420	262047473	/nfs/dbraw/zinc/04/74/73/262047473.db2.gz	ZESIICOFXMSJAG-HOCLYGCPSA-N	1	0	362.499	1.594	20	30		FDEDRO
C[C@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)n1cnc(C#N)n1	ZINC000409451860	262122176	/nfs/dbraw/zinc/12/21/76/262122176.db2.gz	KFOAGBQMHVLRJF-OAHLLOKOSA-N	1	0	352.442	1.534	20	30		FDEDRO
C[C@@H](C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)n1cnc(C#N)n1	ZINC000409660280	262131484	/nfs/dbraw/zinc/13/14/84/262131484.db2.gz	RGVTZPQSTWKFSW-AWEZNQCLSA-N	1	0	356.430	1.010	20	30		FDEDRO
CCN(C(=O)[C@H](C)n1cnc(C#N)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000409939635	262146630	/nfs/dbraw/zinc/14/66/30/262146630.db2.gz	XULNEHGQWZUIPR-DOTOQJQBSA-N	1	0	352.442	1.834	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1	ZINC000892186624	782043072	/nfs/dbraw/zinc/04/30/72/782043072.db2.gz	AHXAZMFIBLJQNI-RCCFBDPRSA-N	1	0	353.470	1.778	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)cn1	ZINC000892187578	782068623	/nfs/dbraw/zinc/06/86/23/782068623.db2.gz	LXTMBZVZAOIAFN-HRCADAONSA-N	1	0	354.458	1.173	20	30		FDEDRO
C[NH+](C)[C@]1(CNC(=O)N2CCC(O)(C(F)(F)F)CC2)CCSC1	ZINC000329368049	676635464	/nfs/dbraw/zinc/63/54/64/676635464.db2.gz	JCAOSRWVKPFWCA-LBPRGKRZSA-N	1	0	355.426	1.727	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)nn1CCC#N	ZINC000536615576	490598682	/nfs/dbraw/zinc/59/86/82/490598682.db2.gz	ASGLVTXOBAIMAF-UHFFFAOYSA-N	1	0	360.462	1.377	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cnc3sc(C)cn3c2=O)c1C#N	ZINC000540118072	490808622	/nfs/dbraw/zinc/80/86/22/490808622.db2.gz	FJNVZHOZIZWEHB-UHFFFAOYSA-N	1	0	371.426	1.064	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H](C)[C@@H]1CN(C)CCO1	ZINC000613161011	491970352	/nfs/dbraw/zinc/97/03/52/491970352.db2.gz	MQVJAWUHNIEFSC-HIFRSBDPSA-N	1	0	369.429	1.288	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)nn1CCC#N	ZINC000600011725	492229470	/nfs/dbraw/zinc/22/94/70/492229470.db2.gz	IOVSAKBCWCJBEQ-MRXNPFEDSA-N	1	0	372.473	1.567	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1	ZINC000009918506	518519880	/nfs/dbraw/zinc/51/98/80/518519880.db2.gz	XKEQSKDIPIKDET-UHFFFAOYSA-N	1	0	365.499	1.757	20	30		FDEDRO
CN(C)c1nc(N)nc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000021406584	518872183	/nfs/dbraw/zinc/87/21/83/518872183.db2.gz	SPADVWSLWXLZBD-UHFFFAOYSA-N	1	0	366.473	1.099	20	30		FDEDRO
N#Cc1ccc(CN2CC[NH+](C[C@H](O)COCc3ccco3)CC2)cc1	ZINC000025226467	519045066	/nfs/dbraw/zinc/04/50/66/519045066.db2.gz	CTCJLOKKLFTPNL-IBGZPJMESA-N	1	0	355.438	1.847	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1	ZINC000068935733	521763817	/nfs/dbraw/zinc/76/38/17/521763817.db2.gz	DVSAMTPDSGJUHE-INIZCTEOSA-N	1	0	368.485	1.997	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)Nc1ccc(CC[NH+]2CCOCC2)cc1	ZINC000056215745	521817111	/nfs/dbraw/zinc/81/71/11/521817111.db2.gz	XSWMRHXVBYYWJQ-OAHLLOKOSA-N	1	0	360.458	1.374	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(C(=O)NCCCOC)CC1	ZINC000056307832	521834248	/nfs/dbraw/zinc/83/42/48/521834248.db2.gz	MWTGSOWEBMPMLK-MRXNPFEDSA-N	1	0	353.507	1.664	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C	ZINC000069530145	521907054	/nfs/dbraw/zinc/90/70/54/521907054.db2.gz	PZKURQUEGLPUEE-HNNXBMFYSA-N	1	0	360.458	1.023	20	30		FDEDRO
COc1ccc(Br)c(C(=O)NCCCNC(=[NH2+])NC2CC2)c1	ZINC000069672893	521931320	/nfs/dbraw/zinc/93/13/20/521931320.db2.gz	URYREQGVEOTYNF-UHFFFAOYSA-N	1	0	369.263	1.644	20	30		FDEDRO
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000069711958	521942614	/nfs/dbraw/zinc/94/26/14/521942614.db2.gz	TXGGTXLCBHMWSD-SJORKVTESA-N	1	0	357.454	1.896	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NCC2CC[NH+](CC)CC2)c1	ZINC000057001037	521967383	/nfs/dbraw/zinc/96/73/83/521967383.db2.gz	SWIMOHKKPMMHRW-UHFFFAOYSA-N	1	0	365.499	1.613	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc2[nH]c(=O)[nH]c2c1	ZINC000044566494	521968119	/nfs/dbraw/zinc/96/81/19/521968119.db2.gz	FQNJCABQSRSRKA-UHFFFAOYSA-N	1	0	363.421	1.932	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)NCC[NH+]2CCCCC2)c1	ZINC000070841854	522042630	/nfs/dbraw/zinc/04/26/30/522042630.db2.gz	RXZBSZSXRZAGLU-UHFFFAOYSA-N	1	0	358.442	1.910	20	30		FDEDRO
CC(C)[N@H+](CC(=O)NCCCN1CCCC1=O)Cc1ccc(C#N)cc1	ZINC000058397034	522254655	/nfs/dbraw/zinc/25/46/55/522254655.db2.gz	LOOQIPWGJSQWIJ-UHFFFAOYSA-N	1	0	356.470	1.897	20	30		FDEDRO
CC(=O)NCCCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000046905407	522384735	/nfs/dbraw/zinc/38/47/35/522384735.db2.gz	BXYVIJJNKOXHKG-UHFFFAOYSA-N	1	0	357.458	1.302	20	30		FDEDRO
CC(C)CN1C[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1=O	ZINC000047011507	522423249	/nfs/dbraw/zinc/42/32/49/522423249.db2.gz	DRHIUGNQHKRZOH-IBGZPJMESA-N	1	0	370.497	1.953	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCN(C(N)=O)C1	ZINC000047011218	522423292	/nfs/dbraw/zinc/42/32/92/522423292.db2.gz	LLHGRHTYCITJAI-QGZVFWFLSA-N	1	0	357.458	1.239	20	30		FDEDRO
C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1	ZINC000072945127	522430859	/nfs/dbraw/zinc/43/08/59/522430859.db2.gz	HBMHQLHQPPANLE-CABCVRRESA-N	1	0	359.474	1.046	20	30		FDEDRO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCCC[NH+]1CCOCC1	ZINC000047217867	522475256	/nfs/dbraw/zinc/47/52/56/522475256.db2.gz	ALZAIFVFSSHIJN-UHFFFAOYSA-N	1	0	360.458	1.025	20	30		FDEDRO
C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)C1	ZINC000064915947	522763909	/nfs/dbraw/zinc/76/39/09/522763909.db2.gz	XVVJEWLZLUZSBR-DZGCQCFKSA-N	1	0	353.426	1.203	20	30		FDEDRO
N#Cc1ccc(CNC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1	ZINC000049168139	522816424	/nfs/dbraw/zinc/81/64/24/522816424.db2.gz	LFCYCIAFMHCVTJ-HXUWFJFHSA-N	1	0	364.449	1.777	20	30		FDEDRO
C[NH+]=C(NC[C@](C)(O)c1ccco1)N1CCN(C(=O)c2ccco2)CC1	ZINC000074992420	522866618	/nfs/dbraw/zinc/86/66/18/522866618.db2.gz	GUSXDAUAMLORTI-SFHVURJKSA-N	1	0	360.414	1.114	20	30		FDEDRO
Cc1noc(C)c1S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000065975241	522932140	/nfs/dbraw/zinc/93/21/40/522932140.db2.gz	VFJQKXJCTZKVFD-UHFFFAOYSA-N	1	0	362.455	1.916	20	30		FDEDRO
CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C1	ZINC000051049250	522965335	/nfs/dbraw/zinc/96/53/35/522965335.db2.gz	GFPOQKXLPWKXSI-DLBZAZTESA-N	1	0	361.490	1.659	20	30		FDEDRO
CCCCNC(=O)[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000051060269	522968833	/nfs/dbraw/zinc/96/88/33/522968833.db2.gz	RHARLMTZYZNTTI-ROUUACIJSA-N	1	0	359.470	1.926	20	30		FDEDRO
COCCNC(=[NH2+])NCCC(=O)Nc1cc(Br)ccc1C	ZINC000076105600	523021282	/nfs/dbraw/zinc/02/12/82/523021282.db2.gz	DWDHKNWTMFOAML-UHFFFAOYSA-N	1	0	357.252	1.637	20	30		FDEDRO
CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1CCOc1ccc(C#N)cc1	ZINC000052134329	523126811	/nfs/dbraw/zinc/12/68/11/523126811.db2.gz	DPDYYYMVQDYZRB-MRXNPFEDSA-N	1	0	351.472	1.731	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)NC2CC[NH+](CC)CC2)cc1	ZINC000052649175	523224746	/nfs/dbraw/zinc/22/47/46/523224746.db2.gz	YQMAZASQOKRJHO-UHFFFAOYSA-N	1	0	358.442	1.141	20	30		FDEDRO
N#Cc1ccccc1N1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1	ZINC000076982094	523225053	/nfs/dbraw/zinc/22/50/53/523225053.db2.gz	MGQBHQOKZXTTTC-GOSISDBHSA-N	1	0	353.470	1.874	20	30		FDEDRO
N#Cc1ccc(N2CCC(NC(=O)NC3CC[NH+](C4CC4)CC3)CC2)nc1	ZINC000067041849	523302024	/nfs/dbraw/zinc/30/20/24/523302024.db2.gz	PBBIYJASAVWPTN-UHFFFAOYSA-N	1	0	368.485	1.848	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NCC[N@@H+](CC)C2CC2)c1	ZINC000077389437	523318579	/nfs/dbraw/zinc/31/85/79/523318579.db2.gz	SUBVEXRICLVTHM-UHFFFAOYSA-N	1	0	351.472	1.365	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(OC)cc2)CC1	ZINC000067163863	523346530	/nfs/dbraw/zinc/34/65/30/523346530.db2.gz	YQORLQFNGOOMRE-LJQANCHMSA-N	1	0	369.465	1.970	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)Cc1ccccc1	ZINC000077538080	523376039	/nfs/dbraw/zinc/37/60/39/523376039.db2.gz	OOTOZVNJUYCCAD-KRWDZBQOSA-N	1	0	368.412	1.925	20	30		FDEDRO
C=CCN(CC=C)C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1	ZINC000067355097	523402179	/nfs/dbraw/zinc/40/21/79/523402179.db2.gz	WVROJNOGJORSMJ-UHFFFAOYSA-N	1	0	356.470	1.573	20	30		FDEDRO
CC[C@H](C)[N@H+](C)CCNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000067421444	523443067	/nfs/dbraw/zinc/44/30/67/523443067.db2.gz	MVJYEZKTXMVJJU-HNNXBMFYSA-N	1	0	358.490	1.952	20	30		FDEDRO
C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1	ZINC000079007187	523687330	/nfs/dbraw/zinc/68/73/30/523687330.db2.gz	LTGJSNRWUVTLDM-MRXNPFEDSA-N	1	0	374.485	1.332	20	30		FDEDRO
C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1	ZINC000068342333	523763946	/nfs/dbraw/zinc/76/39/46/523763946.db2.gz	HHBRSZGFBCCNOB-OAHLLOKOSA-N	1	0	364.471	1.045	20	30		FDEDRO
COC1CC[NH+](CCNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1	ZINC000079911084	523805894	/nfs/dbraw/zinc/80/58/94/523805894.db2.gz	DJQUESUUSSMUTI-UHFFFAOYSA-N	1	0	364.833	1.377	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CNc1cccc(C#N)c1	ZINC000156622309	524118712	/nfs/dbraw/zinc/11/87/12/524118712.db2.gz	XEIVXVUJEWTWLP-QGZVFWFLSA-N	1	0	357.458	1.029	20	30		FDEDRO
C[N@H+](Cc1ccccc1)[C@@H]1CCN(CC(=O)N(CCC#N)CCC#N)C1	ZINC000081532465	524143679	/nfs/dbraw/zinc/14/36/79/524143679.db2.gz	XEXCJVAYEPDTHT-LJQANCHMSA-N	1	0	353.470	1.849	20	30		FDEDRO
CN1CC[NH+](CC2CCN(C(=O)CNc3ccc(C#N)cc3)CC2)CC1	ZINC000110845493	524145590	/nfs/dbraw/zinc/14/55/90/524145590.db2.gz	ITPSTUDDWXEZJB-UHFFFAOYSA-N	1	0	355.486	1.456	20	30		FDEDRO
C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)[NH+]1CCC(C)CC1	ZINC000156850276	524163268	/nfs/dbraw/zinc/16/32/68/524163268.db2.gz	VKMRWAYSUMJNKJ-CYBMUJFWSA-N	1	0	366.443	1.865	20	30		FDEDRO
[NH2+]=C(NCc1cccnc1N1CCOCC1)N[C@@H]1CCOc2ccccc21	ZINC000083031181	524234558	/nfs/dbraw/zinc/23/45/58/524234558.db2.gz	ZGWCPDJZVKMPPO-QGZVFWFLSA-N	1	0	367.453	1.846	20	30		FDEDRO
C[NH+]=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)N[C@@H]1C[C@H]1C	ZINC000083906023	524277599	/nfs/dbraw/zinc/27/75/99/524277599.db2.gz	FHXCEYFZGPKCOK-RHSMWYFYSA-N	1	0	364.515	1.661	20	30		FDEDRO
C=CCC[C@@H]([NH2+]CC(=O)NCCCN(C)S(C)(=O)=O)c1ccccc1	ZINC000271672920	674368392	/nfs/dbraw/zinc/36/83/92/674368392.db2.gz	ACYOZURWHALISV-QGZVFWFLSA-N	1	0	367.515	1.681	20	30		FDEDRO
C[C@@H]1CCC[N@H+](CCNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1	ZINC000157928882	524369388	/nfs/dbraw/zinc/36/93/88/524369388.db2.gz	DDRBRLFUPSSMOT-CVEARBPZSA-N	1	0	371.489	1.300	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000143947261	524376733	/nfs/dbraw/zinc/37/67/33/524376733.db2.gz	HEVMQUXLWWKWJH-OAHLLOKOSA-N	1	0	352.442	1.503	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)[N@H+](C)Cc1ccccc1	ZINC000086460084	524394333	/nfs/dbraw/zinc/39/43/33/524394333.db2.gz	LQLKFOOKQHYOBL-OAHLLOKOSA-N	1	0	368.441	1.372	20	30		FDEDRO
C[NH+]1CCN(c2cc(C(=O)N[C@@H](C#N)c3ccccc3F)ccn2)CC1	ZINC000112286034	524446533	/nfs/dbraw/zinc/44/65/33/524446533.db2.gz	VBGRSIMJHOTYLB-KRWDZBQOSA-N	1	0	353.401	1.967	20	30		FDEDRO
CN(C)c1ncccc1CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000089120434	524476996	/nfs/dbraw/zinc/47/69/96/524476996.db2.gz	TZYQFNZNDPPMHA-OAHLLOKOSA-N	1	0	374.489	1.528	20	30		FDEDRO
COC[C@H](C)NC(=[NH2+])NC[C@H]1CCN(c2cc(OC)cc(OC)c2)C1	ZINC000089121043	524477361	/nfs/dbraw/zinc/47/73/61/524477361.db2.gz	GLZYMTMXOANQSZ-UONOGXRCSA-N	1	0	350.463	1.469	20	30		FDEDRO
CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](CCCSCC#N)CC1	ZINC000173893263	524477713	/nfs/dbraw/zinc/47/77/13/524477713.db2.gz	BRANUCWLOUMWBM-UHFFFAOYSA-N	1	0	373.466	1.922	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(C(=O)Cc3cccc(OCC#N)c3)CC2)c1	ZINC000089768934	524524885	/nfs/dbraw/zinc/52/48/85/524524885.db2.gz	ZQXZMSGWJQKYMV-UHFFFAOYSA-N	1	0	366.421	1.884	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cnn(CC(=O)NC3CCCCC3)c2)CC1	ZINC000174200319	524527879	/nfs/dbraw/zinc/52/78/79/524527879.db2.gz	IKXJOHCWGSHRDE-UHFFFAOYSA-N	1	0	373.501	1.712	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Cc1cccc(OCC#N)c1	ZINC000089811180	524531367	/nfs/dbraw/zinc/53/13/67/524531367.db2.gz	FPTRIADYHAIUHU-GOSISDBHSA-N	1	0	372.469	1.190	20	30		FDEDRO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(S(=O)(=O)CCCCC#N)CC1	ZINC000158822740	524533468	/nfs/dbraw/zinc/53/34/68/524533468.db2.gz	IULSZDRQYBDVAN-CALCHBBNSA-N	1	0	356.536	1.500	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)N1CCC[C@H](C(F)(F)F)C1	ZINC000089943635	524556652	/nfs/dbraw/zinc/55/66/52/524556652.db2.gz	GDOSPEHEJAYNPV-NSHDSACASA-N	1	0	372.395	1.529	20	30		FDEDRO
Cn1nc(C(C)(C)C)cc1NC(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000089943334	524557588	/nfs/dbraw/zinc/55/75/88/524557588.db2.gz	WLSKYCMGKDDCHN-UHFFFAOYSA-N	1	0	372.477	1.398	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1	ZINC000174385390	524560345	/nfs/dbraw/zinc/56/03/45/524560345.db2.gz	OPDYOUUWZIIBOH-KRWDZBQOSA-N	1	0	354.454	1.622	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)o1	ZINC000174384282	524560726	/nfs/dbraw/zinc/56/07/26/524560726.db2.gz	HSLMUDDVQGWWCU-OAHLLOKOSA-N	1	0	368.441	1.536	20	30		FDEDRO
N#Cc1c(Cl)cccc1S(=O)(=O)NCCC[NH+]1CCC(O)CC1	ZINC000159005207	524572351	/nfs/dbraw/zinc/57/23/51/524572351.db2.gz	HJFVFDLTLNUYMH-UHFFFAOYSA-N	1	0	357.863	1.337	20	30		FDEDRO
CC(C)[C@@H](CNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N)[NH+]1CCCC1	ZINC000091206871	524660888	/nfs/dbraw/zinc/66/08/88/524660888.db2.gz	PHOUTFACDOHQNG-OAHLLOKOSA-N	1	0	360.462	1.511	20	30		FDEDRO
CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C1	ZINC000091242064	524677642	/nfs/dbraw/zinc/67/76/42/524677642.db2.gz	FTZJECSBDOXBFA-CQSZACIVSA-N	1	0	360.462	1.464	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1	ZINC000151869345	524710905	/nfs/dbraw/zinc/71/09/05/524710905.db2.gz	YOJGJJSHIBKCLM-CZUORRHYSA-N	1	0	370.453	1.282	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+]CCc3ccc(S(N)(=O)=O)cc3)n2c1	ZINC000123245507	524711061	/nfs/dbraw/zinc/71/10/61/524711061.db2.gz	IAQLKOMJIRFBTN-UHFFFAOYSA-N	1	0	355.423	1.186	20	30		FDEDRO
CCC(CC)(C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC	ZINC000159654611	524714575	/nfs/dbraw/zinc/71/45/75/524714575.db2.gz	WWNFXPYDRJCIPQ-UHFFFAOYSA-N	1	0	352.456	1.901	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1	ZINC000151894526	524719983	/nfs/dbraw/zinc/71/99/83/524719983.db2.gz	ZOEVHQQDIHEITB-GXTWGEPZSA-N	1	0	359.401	1.518	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CCOCC1	ZINC000114047215	524740528	/nfs/dbraw/zinc/74/05/28/524740528.db2.gz	WMVJMUJLNMBQFL-UHFFFAOYSA-N	1	0	372.469	1.653	20	30		FDEDRO
C[NH+](C)CCCNC(=O)CC1S/C(=N/c2ccc3c(c2)CCC3)NC1=O	ZINC000174892846	524782974	/nfs/dbraw/zinc/78/29/74/524782974.db2.gz	LWBRAQQBFLVSAF-INIZCTEOSA-N	1	0	374.510	1.852	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H](CC(C)C)C(=O)Nc2nccs2)CC1	ZINC000091839508	524795355	/nfs/dbraw/zinc/79/53/55/524795355.db2.gz	ZAZIZBQKBYUDEC-HNNXBMFYSA-N	1	0	362.499	1.958	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)C(C)(C)C[NH+](C)C	ZINC000123777301	524828496	/nfs/dbraw/zinc/82/84/96/524828496.db2.gz	ZMNMSTANZKMGIN-GJZGRUSLSA-N	1	0	373.505	1.545	20	30		FDEDRO
N#Cc1ccccc1OCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000160459757	524893727	/nfs/dbraw/zinc/89/37/27/524893727.db2.gz	BTNBRYMRPAGUHI-QZTJIDSGSA-N	1	0	357.454	1.821	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@H](C[NH+]3CCCC3)C2)CC1	ZINC000092618803	524899621	/nfs/dbraw/zinc/89/96/21/524899621.db2.gz	PJORYMRADTVABO-MOPGFXCFSA-N	1	0	361.534	1.096	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)CC1	ZINC000092619130	524900411	/nfs/dbraw/zinc/90/04/11/524900411.db2.gz	UCKGNULXXJGHMJ-PXNSSMCTSA-N	1	0	372.513	1.947	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+]C[C@H]3C[C@@H](O)CN3Cc3ccccc3)n2c1	ZINC000124425945	524982923	/nfs/dbraw/zinc/98/29/23/524982923.db2.gz	PDJDIQDTWCLJJC-UYAOXDASSA-N	1	0	361.449	1.931	20	30		FDEDRO
C=C(C)COc1cc(C[N@H+](C)C[C@@H](O)CN2CCOCC2)ccc1OC	ZINC000093584153	524993991	/nfs/dbraw/zinc/99/39/91/524993991.db2.gz	YWJCAEQGIQJGCX-GOSISDBHSA-N	1	0	364.486	1.775	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1	ZINC000115434464	524994660	/nfs/dbraw/zinc/99/46/60/524994660.db2.gz	CPQUTMPELVGMMA-HNNXBMFYSA-N	1	0	363.483	1.012	20	30		FDEDRO
CO/N=C/c1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1	ZINC000152756512	524995069	/nfs/dbraw/zinc/99/50/69/524995069.db2.gz	XZPOMSSSKQLNDZ-TYSUYXETSA-N	1	0	358.442	1.046	20	30		FDEDRO
CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000115441244	524996884	/nfs/dbraw/zinc/99/68/84/524996884.db2.gz	GZWGAMVTQQGTMZ-CQSZACIVSA-N	1	0	352.442	1.740	20	30		FDEDRO
CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000115441242	524998628	/nfs/dbraw/zinc/99/86/28/524998628.db2.gz	GZWGAMVTQQGTMZ-AWEZNQCLSA-N	1	0	352.442	1.740	20	30		FDEDRO
N#CCCCCS(=O)(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1	ZINC000161128525	525039043	/nfs/dbraw/zinc/03/90/43/525039043.db2.gz	WZDVQEQVJYBBKB-UHFFFAOYSA-N	1	0	365.499	1.757	20	30		FDEDRO
COCc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCN(c3sccc3C#N)C1=O)CC2	ZINC000124694352	525054338	/nfs/dbraw/zinc/05/43/38/525054338.db2.gz	GUGGKLIELLJFOH-QWHCGFSZSA-N	1	0	372.454	1.068	20	30		FDEDRO
COCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCN(c3ccc(C#N)cc3)C1=O)CC2	ZINC000124699012	525056414	/nfs/dbraw/zinc/05/64/14/525056414.db2.gz	QIDLBRGPXHUAGY-GDBMZVCRSA-N	1	0	366.425	1.006	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1C#N	ZINC000161266191	525069151	/nfs/dbraw/zinc/06/91/51/525069151.db2.gz	GSPROVIXCHLQFY-ZDUSSCGKSA-N	1	0	358.442	1.883	20	30		FDEDRO
CC[NH+](CC)CCN(C(=O)c1sccc1C#N)[C@@H]1CCS(=O)(=O)C1	ZINC000161473312	525115666	/nfs/dbraw/zinc/11/56/66/525115666.db2.gz	NBDKHMFZCISXJV-CQSZACIVSA-N	1	0	369.512	1.591	20	30		FDEDRO
C[C@@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)N(C)CCC#N)CC1	ZINC000116358087	525139736	/nfs/dbraw/zinc/13/97/36/525139736.db2.gz	JAWSNRRAMMDINY-HNNXBMFYSA-N	1	0	350.488	1.892	20	30		FDEDRO
C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1	ZINC000125184973	525158353	/nfs/dbraw/zinc/15/83/53/525158353.db2.gz	PMHMPFHSWWIVMJ-NEPJUHHUSA-N	1	0	352.416	1.618	20	30		FDEDRO
COc1cccc(CN(C)C(=O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1	ZINC000153283400	525166523	/nfs/dbraw/zinc/16/65/23/525166523.db2.gz	AELMEMWRLOCTQR-UHFFFAOYSA-N	1	0	370.457	1.395	20	30		FDEDRO
C[NH+]=C(NCc1ccc2c(c1)OCO2)N1CCO[C@@H](c2cnn(C)c2)C1	ZINC000153320723	525178712	/nfs/dbraw/zinc/17/87/12/525178712.db2.gz	NIBSGCXKJMHQFF-QGZVFWFLSA-N	1	0	357.414	1.298	20	30		FDEDRO
CC[NH+]=C(NCc1c(C)nn(C)c1C)N1CCO[C@H](c2cnn(C)c2)C1	ZINC000153330150	525180209	/nfs/dbraw/zinc/18/02/09/525180209.db2.gz	VSHOUMOQVIRXME-KRWDZBQOSA-N	1	0	359.478	1.309	20	30		FDEDRO
CN1CC[NH+]([C@H]2CCCCN(CC(=O)Nc3sccc3C#N)C2)CC1	ZINC000161866195	525181054	/nfs/dbraw/zinc/18/10/54/525181054.db2.gz	GTXUEOVVHRUOLO-INIZCTEOSA-N	1	0	361.515	1.660	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)CN2CCNC(=O)[C@@H]2c2ccccc2)cc1	ZINC000125346562	525193249	/nfs/dbraw/zinc/19/32/49/525193249.db2.gz	XQYMXTVHZIJGFY-ICSRJNTNSA-N	1	0	365.433	1.665	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C[NH+](C)C)ccn2)cc1	ZINC000176937680	525203937	/nfs/dbraw/zinc/20/39/37/525203937.db2.gz	UCDZBCXZUOKSCF-UHFFFAOYSA-N	1	0	374.466	1.860	20	30		FDEDRO
C[C@H](C(=O)N1CCc2ccccc21)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000125486695	525206093	/nfs/dbraw/zinc/20/60/93/525206093.db2.gz	DCXPYFBPDNEBLM-CYBMUJFWSA-N	1	0	352.442	1.706	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1	ZINC000177184389	525253994	/nfs/dbraw/zinc/25/39/94/525253994.db2.gz	DMBVXACXRNJDNY-ZFWWWQNUSA-N	1	0	363.483	1.506	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000162543094	525275718	/nfs/dbraw/zinc/27/57/18/525275718.db2.gz	YVKNYPLSWMERRL-IAGOWNOFSA-N	1	0	350.507	1.038	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH+]1CCC(C(=O)Nc2cnn(CC)c2)CC1	ZINC000102398716	525284436	/nfs/dbraw/zinc/28/44/36/525284436.db2.gz	CRIYIAGTMXNEIF-UHFFFAOYSA-N	1	0	361.490	1.978	20	30		FDEDRO
C=CC[C@H](C)NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1	ZINC000117077203	525285378	/nfs/dbraw/zinc/28/53/78/525285378.db2.gz	UOIFOHNDFATIOD-LBPRGKRZSA-N	1	0	360.414	1.175	20	30		FDEDRO
C[C@](C#N)(NC(=O)C[NH2+][C@@H](CN1CCOCC1)c1ccccc1)C1CC1	ZINC000102700870	525300454	/nfs/dbraw/zinc/30/04/54/525300454.db2.gz	XLFTYWBHQCCKML-AZUAARDMSA-N	1	0	356.470	1.458	20	30		FDEDRO
C[NH+](C)C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CCO1	ZINC000177679488	525329337	/nfs/dbraw/zinc/32/93/37/525329337.db2.gz	JXEGZHRKRYKKOJ-INIZCTEOSA-N	1	0	358.442	1.215	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1	ZINC000153810926	525330981	/nfs/dbraw/zinc/33/09/81/525330981.db2.gz	WAPRJSGIVNCUPL-ZIAGYGMSSA-N	1	0	352.479	1.259	20	30		FDEDRO
CC[NH+]=C(NCc1cn(C)nc1C(F)(F)F)N[C@@H]1CCc2ncnn2C1	ZINC000153921858	525362812	/nfs/dbraw/zinc/36/28/12/525362812.db2.gz	WBTFSQSSQMVQDJ-LLVKDONJSA-N	1	0	370.383	1.101	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)CN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000154002964	525390020	/nfs/dbraw/zinc/39/00/20/525390020.db2.gz	YZNKUEMNWDKMDR-NSHGMRRFSA-N	1	0	363.550	1.531	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCCc2cn3ccccc3n2)cc1OC	ZINC000104159484	525398605	/nfs/dbraw/zinc/39/86/05/525398605.db2.gz	OJLKSGHAOQLGBC-UHFFFAOYSA-N	1	0	353.426	1.999	20	30		FDEDRO
COc1ccc([C@@H](CNC(=O)Cn2cnc(C#N)n2)[NH+]2CCCC2)cc1	ZINC000178334997	525412643	/nfs/dbraw/zinc/41/26/43/525412643.db2.gz	NSWWRVQPMGAHNA-MRXNPFEDSA-N	1	0	354.414	1.112	20	30		FDEDRO
N#Cc1ccc(F)c(CS(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1	ZINC000163503304	525419169	/nfs/dbraw/zinc/41/91/69/525419169.db2.gz	PXOYZQONOSWYOR-OAHLLOKOSA-N	1	0	351.447	1.945	20	30		FDEDRO
CC1CC[NH+](Cc2cccc(CNC(=O)Cn3cnc(C#N)n3)c2)CC1	ZINC000178498269	525439229	/nfs/dbraw/zinc/43/92/29/525439229.db2.gz	GIZYTLBYSXTNJA-UHFFFAOYSA-N	1	0	352.442	1.698	20	30		FDEDRO
C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)Cn2cnc(C#N)n2)CC1	ZINC000178518886	525440439	/nfs/dbraw/zinc/44/04/39/525440439.db2.gz	TYEDSZSTVHXLOE-UHFFFAOYSA-N	1	0	352.442	1.520	20	30		FDEDRO
C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)N(CCC#N)CCC#N	ZINC000105231466	525477916	/nfs/dbraw/zinc/47/79/16/525477916.db2.gz	VTPNXRPGONFAFZ-INIZCTEOSA-N	1	0	365.441	1.916	20	30		FDEDRO
CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000127920464	525480769	/nfs/dbraw/zinc/48/07/69/525480769.db2.gz	YRYMZDUJEDQNLO-UHFFFAOYSA-N	1	0	354.357	1.602	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1C(F)(F)F	ZINC000154363031	525509257	/nfs/dbraw/zinc/50/92/57/525509257.db2.gz	SDMDEZXCWWTECV-AWEZNQCLSA-N	1	0	359.373	1.951	20	30		FDEDRO
C[NH+]=C(NCc1cccc(N2CC=CC2)c1)N[C@H]1CCc2ncnn2C1	ZINC000128528526	525552974	/nfs/dbraw/zinc/55/29/74/525552974.db2.gz	GEGUIVKEAMQLPJ-INIZCTEOSA-N	1	0	351.458	1.334	20	30		FDEDRO
C[C@H]1C[NH+](CCC2CCN(S(=O)(=O)CC3(C#N)CC3)CC2)C[C@H](C)O1	ZINC000165885813	525563067	/nfs/dbraw/zinc/56/30/67/525563067.db2.gz	NOYJLXDQYISVNV-HOTGVXAUSA-N	1	0	369.531	1.831	20	30		FDEDRO
CC[C@@H]1CN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1C[C@@H](C)O	ZINC000106102876	525588914	/nfs/dbraw/zinc/58/89/14/525588914.db2.gz	WGLRZHHZLRFHFS-SZVBFZGTSA-N	1	0	356.470	1.441	20	30		FDEDRO
CC(=O)NC[C@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)CCO1	ZINC000179709054	525619488	/nfs/dbraw/zinc/61/94/88/525619488.db2.gz	AKVHMAXOZBHNOB-IBGZPJMESA-N	1	0	367.453	1.801	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)n1	ZINC000179720251	525621455	/nfs/dbraw/zinc/62/14/55/525621455.db2.gz	FSSNGLVKBYDPQF-CQSZACIVSA-N	1	0	362.478	1.757	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1	ZINC000180070426	525659465	/nfs/dbraw/zinc/65/94/65/525659465.db2.gz	QHWAOEJXYJKLTK-HZPDHXFCSA-N	1	0	359.474	1.982	20	30		FDEDRO
COc1cccc([C@H](CNC(=O)N2CCO[C@@H](C#N)C2)[NH+]2CCCC2)c1	ZINC000106328852	525692300	/nfs/dbraw/zinc/69/23/00/525692300.db2.gz	JRJBRSZZOQVOCM-ROUUACIJSA-N	1	0	358.442	1.766	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1	ZINC000180641170	525734005	/nfs/dbraw/zinc/73/40/05/525734005.db2.gz	LVIPNHDEFKFUSI-CYBMUJFWSA-N	1	0	366.412	1.531	20	30		FDEDRO
[NH2+]=C(NCCC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1ccccn1	ZINC000170907401	525764507	/nfs/dbraw/zinc/76/45/07/525764507.db2.gz	JNLDYCOPCDOIBT-UHFFFAOYSA-N	1	0	370.432	1.686	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NCc2nnc3n2CCCCC3)cc1OC	ZINC000170907588	525765539	/nfs/dbraw/zinc/76/55/39/525765539.db2.gz	RTZLCWZPRAHSBN-UHFFFAOYSA-N	1	0	372.473	1.669	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](O)c2cccc(F)c2)CC1	ZINC000170911722	525767190	/nfs/dbraw/zinc/76/71/90/525767190.db2.gz	PSAUHSDHFATOBB-HNNXBMFYSA-N	1	0	352.410	1.384	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CCc2nc(C)nn2C1)C(C)C	ZINC000171040958	525812527	/nfs/dbraw/zinc/81/25/27/525812527.db2.gz	VIJAQQXHZNQEFD-IRXDYDNUSA-N	1	0	360.506	1.899	20	30		FDEDRO
COc1ccc(CN2CC[NH+](CCC(=O)N(C)CCC#N)CC2)cc1F	ZINC000131068373	525826259	/nfs/dbraw/zinc/82/62/59/525826259.db2.gz	FBKAXISSMJZMFY-UHFFFAOYSA-N	1	0	362.449	1.714	20	30		FDEDRO
C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CNC(=O)c2ccc(C#N)cc2)C1	ZINC000171112700	525854585	/nfs/dbraw/zinc/85/45/85/525854585.db2.gz	CPXHVHDXZBWHFK-HZPDHXFCSA-N	1	0	356.470	1.772	20	30		FDEDRO
N#CCCCCS(=O)(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1	ZINC000181480975	525861525	/nfs/dbraw/zinc/86/15/25/525861525.db2.gz	ADZVYGYMISKORV-QGZVFWFLSA-N	1	0	351.472	1.366	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1	ZINC000107312203	525868892	/nfs/dbraw/zinc/86/88/92/525868892.db2.gz	MUVNHUFIZTVIBH-QGZVFWFLSA-N	1	0	362.499	1.349	20	30		FDEDRO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[NH+](CC(C)(C)O)CC1	ZINC000171152783	525873998	/nfs/dbraw/zinc/87/39/98/525873998.db2.gz	IUPQUHBIJQSCAJ-CYBMUJFWSA-N	1	0	364.877	1.927	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCC[NH+]1CCCCCC1	ZINC000181666031	525888349	/nfs/dbraw/zinc/88/83/49/525888349.db2.gz	YZTNECZFCBKSOO-HNNXBMFYSA-N	1	0	358.442	1.908	20	30		FDEDRO
CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccc(C#N)cn1	ZINC000107570316	525896227	/nfs/dbraw/zinc/89/62/27/525896227.db2.gz	HSZVKFXFZMIKNI-INIZCTEOSA-N	1	0	358.442	1.833	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@@H]4OCCC[C@@H]4C3)CC2)o1	ZINC000155534923	525897213	/nfs/dbraw/zinc/89/72/13/525897213.db2.gz	RILIJIPEOLBQJG-WBVHZDCISA-N	1	0	373.457	1.004	20	30		FDEDRO
CC[C@H]([NH2+]CC(=O)N(CC)CCC#N)c1cccc(S(N)(=O)=O)c1	ZINC000181727343	525908473	/nfs/dbraw/zinc/90/84/73/525908473.db2.gz	OGFWGUFAKBXTQE-HNNXBMFYSA-N	1	0	352.460	1.137	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H](CC(N)=O)C3CCOCC3)C2=O)cc1	ZINC000181932606	525986717	/nfs/dbraw/zinc/98/67/17/525986717.db2.gz	SFLIXOUUJGAEJS-ROUUACIJSA-N	1	0	370.453	1.314	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1	ZINC000108710152	526015250	/nfs/dbraw/zinc/01/52/50/526015250.db2.gz	PSEPNHYBMBYNRY-UHFFFAOYSA-N	1	0	352.438	1.768	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1	ZINC000182033735	526029254	/nfs/dbraw/zinc/02/92/54/526029254.db2.gz	LAUULNAXXHZWKT-UHFFFAOYSA-N	1	0	374.441	1.812	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CNC(=O)c2ccccc2OC(F)F)CC1	ZINC000171566439	526039567	/nfs/dbraw/zinc/03/95/67/526039567.db2.gz	FTRCLSPJMIOKHF-UHFFFAOYSA-N	1	0	367.396	1.784	20	30		FDEDRO
Cc1cccc(N2CC[NH+](CCCNC(=O)C3(C#N)CCOCC3)CC2)c1	ZINC000109139664	526080288	/nfs/dbraw/zinc/08/02/88/526080288.db2.gz	KVMQPMJEZULBRY-UHFFFAOYSA-N	1	0	370.497	1.944	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2ccc(S(C)(=O)=O)cc2)CC1	ZINC000171713733	526089788	/nfs/dbraw/zinc/08/97/88/526089788.db2.gz	QUYSTOPXGBXFNM-UHFFFAOYSA-N	1	0	351.472	1.540	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CCN2c3ccccc3O[C@H](C)C2=O)CC1	ZINC000171721933	526094028	/nfs/dbraw/zinc/09/40/28/526094028.db2.gz	APYZXFUAEGMYMU-OAHLLOKOSA-N	1	0	357.454	1.957	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)CC1	ZINC000171727206	526097351	/nfs/dbraw/zinc/09/73/51/526097351.db2.gz	BDPJLNPCEYSTIJ-LIRRHRJNSA-N	1	0	362.474	1.254	20	30		FDEDRO
Cc1cccc(S(=O)(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)c1C#N	ZINC000156318820	526106918	/nfs/dbraw/zinc/10/69/18/526106918.db2.gz	ZMJDQEAFAFPNEN-GASCZTMLSA-N	1	0	351.472	1.644	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1	ZINC000134008547	526114352	/nfs/dbraw/zinc/11/43/52/526114352.db2.gz	ZLLCIZFSUKERAA-CQSZACIVSA-N	1	0	361.417	1.576	20	30		FDEDRO
CC[C@@](C)([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(N)=O	ZINC000133987719	526114694	/nfs/dbraw/zinc/11/46/94/526114694.db2.gz	DMZWCUWBVLYLAI-MRXNPFEDSA-N	1	0	355.360	1.417	20	30		FDEDRO
C[NH+](C)CCNC(=O)Cn1cc(NC(=O)Nc2ccc(C#N)cc2)cn1	ZINC000156353839	526117518	/nfs/dbraw/zinc/11/75/18/526117518.db2.gz	CDRJTNRVEBCRPA-UHFFFAOYSA-N	1	0	355.402	1.077	20	30		FDEDRO
C=CCNC(=[NH2+])NCCC(=O)N(C)Cc1ccccc1Br	ZINC000171801554	526127862	/nfs/dbraw/zinc/12/78/62/526127862.db2.gz	DDKAWPLXGNSPRB-UHFFFAOYSA-N	1	0	353.264	1.888	20	30		FDEDRO
Cn1cc(C(=O)NCC2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)cn1	ZINC000156471633	526142203	/nfs/dbraw/zinc/14/22/03/526142203.db2.gz	YCTVMGCSTRXMNZ-IBGZPJMESA-N	1	0	367.453	1.467	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(S(=O)(=O)CCOC)cc2)CC1	ZINC000172007143	526205482	/nfs/dbraw/zinc/20/54/82/526205482.db2.gz	FHSDPJICGYRMGV-UHFFFAOYSA-N	1	0	364.467	1.390	20	30		FDEDRO
CC(=O)NC[C@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000182697474	535848491	/nfs/dbraw/zinc/84/84/91/535848491.db2.gz	PGPXQRYKYVPBPJ-IEBWSBKVSA-N	1	0	354.454	1.902	20	30		FDEDRO
CN(CCCN1CC[NH+](C)CC1)C(=O)NCCOc1ccc(C#N)cc1	ZINC000183096259	535918926	/nfs/dbraw/zinc/91/89/26/535918926.db2.gz	PNQDLPNQUCXJAM-UHFFFAOYSA-N	1	0	359.474	1.216	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc([N+](=O)[O-])cnc1N	ZINC000183520893	535997014	/nfs/dbraw/zinc/99/70/14/535997014.db2.gz	OHMDILBARWKKBE-UHFFFAOYSA-N	1	0	368.397	1.648	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](CCO)C2CCCCC2)CC1	ZINC000183708471	536034171	/nfs/dbraw/zinc/03/41/71/536034171.db2.gz	UBIGYYMZRRGVGA-RBUKOAKNSA-N	1	0	364.534	1.600	20	30		FDEDRO
COC(=O)c1cn(C2CC[NH+](CCOc3cccc(C#N)c3)CC2)nn1	ZINC000183741635	536040541	/nfs/dbraw/zinc/04/05/41/536040541.db2.gz	XWWZCDBASHFVLC-UHFFFAOYSA-N	1	0	355.398	1.652	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)Cn1cnc(C#N)n1)c1cccc(C(F)(F)F)c1	ZINC000183894685	536063147	/nfs/dbraw/zinc/06/31/47/536063147.db2.gz	ZPSPEHGNEMNGLA-ZDUSSCGKSA-N	1	0	366.347	1.588	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cc1	ZINC000184183945	536110841	/nfs/dbraw/zinc/11/08/41/536110841.db2.gz	QNNMUUBWARCZAY-INIZCTEOSA-N	1	0	373.501	1.750	20	30		FDEDRO
C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000186663258	536240454	/nfs/dbraw/zinc/24/04/54/536240454.db2.gz	LRLVSRUOSBDGGD-CQSZACIVSA-N	1	0	374.489	1.829	20	30		FDEDRO
CN(CC[N@H+](C)C1CC1)CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000186751776	536243042	/nfs/dbraw/zinc/24/30/42/536243042.db2.gz	FQLPXHAWLTVHLR-UHFFFAOYSA-N	1	0	352.442	1.708	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1	ZINC000187696623	536272066	/nfs/dbraw/zinc/27/20/66/536272066.db2.gz	SLXVTSBQLBWHGF-UHFFFAOYSA-N	1	0	358.442	1.837	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2ccc(C#N)c(O)c2)c1	ZINC000188081189	536282115	/nfs/dbraw/zinc/28/21/15/536282115.db2.gz	FOKCXYFIMVCPHA-UHFFFAOYSA-N	1	0	366.421	1.485	20	30		FDEDRO
C[NH+]=C(NC[C@](C)(O)c1ccco1)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1	ZINC000262799311	536903862	/nfs/dbraw/zinc/90/38/62/536903862.db2.gz	QLHDHCRZUYJEAZ-IYOUNJFTSA-N	1	0	350.463	1.299	20	30		FDEDRO
C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)CC[NH2+]1	ZINC000262806207	536906944	/nfs/dbraw/zinc/90/69/44/536906944.db2.gz	SHEKSROWYCXFIS-BXKDBHETSA-N	1	0	358.261	1.740	20	30		FDEDRO
C[C@@H](C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)[NH+]1CCCCCC1	ZINC000246359293	536935658	/nfs/dbraw/zinc/93/56/58/536935658.db2.gz	IGXUARDAUDCQPP-CVEARBPZSA-N	1	0	356.474	1.650	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ncccc1OCCCC#N	ZINC000188788094	536949379	/nfs/dbraw/zinc/94/93/79/536949379.db2.gz	MPJNTZYJMSTALJ-MRXNPFEDSA-N	1	0	374.489	1.912	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCCCNC(=O)c2occc2C)cc1OC	ZINC000267398230	536976161	/nfs/dbraw/zinc/97/61/61/536976161.db2.gz	FMLXQRLLZNDMSO-UHFFFAOYSA-N	1	0	374.441	1.830	20	30		FDEDRO
CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2cc(C#N)ccc2C)CC1	ZINC000189118106	537000615	/nfs/dbraw/zinc/00/06/15/537000615.db2.gz	ANOOEOPBOFDODS-OAHLLOKOSA-N	1	0	350.488	1.171	20	30		FDEDRO
C=C(C)CNC(=[NH2+])NCc1ccccc1S(=O)(=O)N1CCCCC1	ZINC000263277528	537008162	/nfs/dbraw/zinc/00/81/62/537008162.db2.gz	ZAVFHMVBAIOVBC-UHFFFAOYSA-N	1	0	350.488	1.842	20	30		FDEDRO
CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CC1	ZINC000189267296	537019298	/nfs/dbraw/zinc/01/92/98/537019298.db2.gz	CPYPRXSZPYCHEN-UHFFFAOYSA-N	1	0	360.462	1.607	20	30		FDEDRO
C#CCCNC(=O)C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000269376709	537020497	/nfs/dbraw/zinc/02/04/97/537020497.db2.gz	LAQOFKPUSSWKRP-KRWDZBQOSA-N	1	0	365.437	1.408	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)CN2CC[NH+](C[C@@H](C)O)CC2)c(OC)c1	ZINC000189344534	537030640	/nfs/dbraw/zinc/03/06/40/537030640.db2.gz	CVRSBKTYFJWTCX-AEFFLSMTSA-N	1	0	364.486	1.162	20	30		FDEDRO
CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000246918369	537051337	/nfs/dbraw/zinc/05/13/37/537051337.db2.gz	GHDMGCAKFPSHDP-KBPBESRZSA-N	1	0	366.487	1.072	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)c1	ZINC000189804593	537098768	/nfs/dbraw/zinc/09/87/68/537098768.db2.gz	IQUSEUVKQAAVLH-UHFFFAOYSA-N	1	0	364.352	1.405	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)N1CCc2c1cc(F)cc2F	ZINC000189999225	537125606	/nfs/dbraw/zinc/12/56/06/537125606.db2.gz	PJAFFMHMNFBYEN-UHFFFAOYSA-N	1	0	364.396	1.548	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1	ZINC000190036348	537131163	/nfs/dbraw/zinc/13/11/63/537131163.db2.gz	MRDKDZUGNAMTBR-INIZCTEOSA-N	1	0	355.438	1.724	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NC[C@@H](c1ccc(OC)cc1)N1CCOCC1	ZINC000264152091	537138536	/nfs/dbraw/zinc/13/85/36/537138536.db2.gz	ZNOFJTMWXXVCMU-PBHICJAKSA-N	1	0	350.463	1.008	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NCCc1ccc(I)s1	ZINC000264299354	537140701	/nfs/dbraw/zinc/14/07/01/537140701.db2.gz	RJLQISIRAHQHNA-MRVPVSSYSA-N	1	0	367.256	1.834	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2cccc(OCC(=O)NCC)c2)CC1	ZINC000264349503	537141839	/nfs/dbraw/zinc/14/18/39/537141839.db2.gz	AXXHCSBGSDCVRE-UHFFFAOYSA-N	1	0	374.485	1.651	20	30		FDEDRO
COc1ccccc1[C@H](CNC(=O)N1CCO[C@@H](C#N)C1)[NH+]1CCCC1	ZINC000264422493	537144746	/nfs/dbraw/zinc/14/47/46/537144746.db2.gz	UWHCATJDTCZFEA-RDJZCZTQSA-N	1	0	358.442	1.766	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2ccc(NS(C)(=O)=O)cc2)CC1	ZINC000264428894	537145127	/nfs/dbraw/zinc/14/51/27/537145127.db2.gz	TUYNPLSBEDAGED-UHFFFAOYSA-N	1	0	366.487	1.508	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)NC[C@H](c1ccco1)[NH+]1CCCC1	ZINC000265419562	537152934	/nfs/dbraw/zinc/15/29/34/537152934.db2.gz	IKLCLBLGYCRZER-ORIGZDJFSA-N	1	0	372.425	1.449	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC1CCC2(CC1)OCCO2	ZINC000190275601	537160488	/nfs/dbraw/zinc/16/04/88/537160488.db2.gz	XWGMODUTZQNMSQ-HNNXBMFYSA-N	1	0	357.458	1.792	20	30		FDEDRO
Cc1ccc(-n2nc(CCCNC(=O)/C=C/C[NH+](C)C)c(C#N)c2N)cc1	ZINC000265601662	537160978	/nfs/dbraw/zinc/16/09/78/537160978.db2.gz	CIRQBFMJGAWTIM-FNORWQNLSA-N	1	0	366.469	1.801	20	30		FDEDRO
C#CCN(CC#C)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1	ZINC000190424351	537172741	/nfs/dbraw/zinc/17/27/41/537172741.db2.gz	KAFMSSLAYNJSAB-UHFFFAOYSA-N	1	0	361.829	1.314	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)[C@@H]1CO	ZINC000190449914	537173910	/nfs/dbraw/zinc/17/39/10/537173910.db2.gz	WJCZQEJHSHHENV-OWCLPIDISA-N	1	0	362.499	1.160	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1	ZINC000248554004	537190984	/nfs/dbraw/zinc/19/09/84/537190984.db2.gz	LENOBEUUDWPYCA-VYDXJSESSA-N	1	0	370.453	1.859	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1	ZINC000266217173	537191999	/nfs/dbraw/zinc/19/19/99/537191999.db2.gz	RKXMXUOUWMWWNW-KRWDZBQOSA-N	1	0	364.515	1.417	20	30		FDEDRO
C[C@H](NC(=O)C(=O)Nc1ccn(CCC#N)n1)[C@H](c1ccccc1)[NH+](C)C	ZINC000191256255	537201121	/nfs/dbraw/zinc/20/11/21/537201121.db2.gz	FDOBYJDIPRLYEQ-WMLDXEAASA-N	1	0	368.441	1.543	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)Nc1ccn(CCC#N)n1)[C@H](c1ccccc1)[NH+](C)C	ZINC000191256266	537201288	/nfs/dbraw/zinc/20/12/88/537201288.db2.gz	FDOBYJDIPRLYEQ-RHSMWYFYSA-N	1	0	368.441	1.543	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000191535636	537207792	/nfs/dbraw/zinc/20/77/92/537207792.db2.gz	YKRFJGYZSGNJDB-IBGZPJMESA-N	1	0	368.481	1.896	20	30		FDEDRO
Cc1oc(NC(=O)[C@@H](C)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c(C#N)c1C	ZINC000249433786	537235796	/nfs/dbraw/zinc/23/57/96/537235796.db2.gz	ZTNOXWYJNQAARV-GXTWGEPZSA-N	1	0	362.474	1.872	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC[C@H]1O	ZINC000249558317	537238666	/nfs/dbraw/zinc/23/86/66/537238666.db2.gz	KSGCDUNZUPVHMT-AYOQOUSVSA-N	1	0	374.460	1.237	20	30		FDEDRO
C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC[N@@H+]1C	ZINC000193432200	537247347	/nfs/dbraw/zinc/24/73/47/537247347.db2.gz	CPVOIKFHDDGWDX-ZFWWWQNUSA-N	1	0	359.474	1.994	20	30		FDEDRO
C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000193429164	537247405	/nfs/dbraw/zinc/24/74/05/537247405.db2.gz	XRZIZKPMIJYKBJ-ZFWWWQNUSA-N	1	0	359.474	1.852	20	30		FDEDRO
C[NH+]=C(NCc1nnc(C)n1C)N1CCN(c2cccc(Cl)c2)CC1	ZINC000261991061	537253488	/nfs/dbraw/zinc/25/34/88/537253488.db2.gz	RHTLAUZYTIPSID-UHFFFAOYSA-N	1	0	361.881	1.675	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC[NH+]1CCCCCC1	ZINC000193714754	537254836	/nfs/dbraw/zinc/25/48/36/537254836.db2.gz	PRVBYUOTGZGXNN-UHFFFAOYSA-N	1	0	358.442	1.888	20	30		FDEDRO
CCOC1CC(CNC(=[NH2+])Nc2ccc(OC)cc2)(N2CCOCC2)C1	ZINC000193827864	537255863	/nfs/dbraw/zinc/25/58/63/537255863.db2.gz	QSQCNGSCGAUHSH-UHFFFAOYSA-N	1	0	362.474	1.692	20	30		FDEDRO
N#CCC1(O)CN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1	ZINC000193970314	537257472	/nfs/dbraw/zinc/25/74/72/537257472.db2.gz	XQMNENPPECYCPT-QGZVFWFLSA-N	1	0	367.371	1.928	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)cc1	ZINC000363675499	537273752	/nfs/dbraw/zinc/27/37/52/537273752.db2.gz	OKIZLOWAYBFRES-CVEARBPZSA-N	1	0	369.462	1.471	20	30		FDEDRO
C[NH+](C)CC1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1	ZINC000363690187	537278299	/nfs/dbraw/zinc/27/82/99/537278299.db2.gz	HWVVDBJMDFJQBF-UHFFFAOYSA-N	1	0	370.501	1.905	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)nc1	ZINC000293000036	537280700	/nfs/dbraw/zinc/28/07/00/537280700.db2.gz	JLUDSUWVAMGMQX-UHFFFAOYSA-N	1	0	363.421	1.626	20	30		FDEDRO
C=CCN(C(=O)C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1)C1CC1	ZINC000276144331	537300552	/nfs/dbraw/zinc/30/05/52/537300552.db2.gz	QQKHBVSCDQKUBL-UHFFFAOYSA-N	1	0	370.497	1.940	20	30		FDEDRO
N#Cc1ccc2c(c1)N(C(=O)C(=O)NC1CC[NH+](CC3CC3)CC1)CC2	ZINC000270224743	537302236	/nfs/dbraw/zinc/30/22/36/537302236.db2.gz	SOTSQGKEIWSDMY-UHFFFAOYSA-N	1	0	352.438	1.438	20	30		FDEDRO
CS[C@H]1CN(C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C[C@@H]1[NH+](C)C	ZINC000270530474	537346593	/nfs/dbraw/zinc/34/65/93/537346593.db2.gz	VICITZITWNIHBW-HOTGVXAUSA-N	1	0	362.499	1.712	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCSC[C@@H]2C2CCC2)CC1	ZINC000333606360	537349908	/nfs/dbraw/zinc/34/99/08/537349908.db2.gz	XJGWPQJBLRLBIB-ZWKOTPCHSA-N	1	0	364.559	1.896	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)n1	ZINC000279576737	537350631	/nfs/dbraw/zinc/35/06/31/537350631.db2.gz	UEXCVTIFXPZRMC-RTBURBONSA-N	1	0	373.501	1.426	20	30		FDEDRO
COc1cccc([C@@H](CNC(=O)C(=O)NCCCCC#N)[NH+]2CCCC2)c1	ZINC000283285502	537365030	/nfs/dbraw/zinc/36/50/30/537365030.db2.gz	GWXKGNQMSFJMQL-GOSISDBHSA-N	1	0	372.469	1.758	20	30		FDEDRO
CN(CCS(=O)(=O)c1ccc(C#N)cn1)C[C@@H](O)Cc1ccccc1	ZINC000293151797	537368875	/nfs/dbraw/zinc/36/88/75/537368875.db2.gz	BSOBGBRCCHVQQX-KRWDZBQOSA-N	1	0	359.451	1.262	20	30		FDEDRO
C#Cc1cccc(NC(=O)CNC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1	ZINC000298941458	537381371	/nfs/dbraw/zinc/38/13/71/537381371.db2.gz	JQXNVFIYHRMHKA-IYBDPMFKSA-N	1	0	372.469	1.405	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(C[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)C1=O	ZINC000348436977	537386413	/nfs/dbraw/zinc/38/64/13/537386413.db2.gz	YGQVFLFUYKPTBO-ZWKOTPCHSA-N	1	0	373.453	1.955	20	30		FDEDRO
C=CCN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cnn(C)c1	ZINC000364170356	537390266	/nfs/dbraw/zinc/39/02/66/537390266.db2.gz	WYGMPXLJYPPBFX-KRWDZBQOSA-N	1	0	360.483	1.871	20	30		FDEDRO
CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)cc1	ZINC000283922695	537392021	/nfs/dbraw/zinc/39/20/21/537392021.db2.gz	AQWYWYLBCSFVHV-ZIAGYGMSSA-N	1	0	351.472	1.891	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cc(C)n(CCC#N)n2)CC1=O	ZINC000271124441	537405192	/nfs/dbraw/zinc/40/51/92/537405192.db2.gz	KNOIGKZEPRIZSS-HZPDHXFCSA-N	1	0	372.473	1.377	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)CC1	ZINC000273214546	537415974	/nfs/dbraw/zinc/41/59/74/537415974.db2.gz	UMIYLBDRSBDTJD-GOSISDBHSA-N	1	0	354.454	1.034	20	30		FDEDRO
N#CCCCC[NH+]1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000198737154	537425007	/nfs/dbraw/zinc/42/50/07/537425007.db2.gz	BAGOWRTZBGWZAJ-UHFFFAOYSA-N	1	0	364.471	1.678	20	30		FDEDRO
C=CC[C@@H](CO)NC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1	ZINC000273373036	537437943	/nfs/dbraw/zinc/43/79/43/537437943.db2.gz	XVIFCWYAGIKPEK-FQEVSTJZSA-N	1	0	374.529	1.821	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1F	ZINC000290882689	537447886	/nfs/dbraw/zinc/44/78/86/537447886.db2.gz	UFSQPOMJTFIGCC-CQSZACIVSA-N	1	0	358.417	1.970	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cnn(-c2ccccc2)c1C	ZINC000293431132	537455710	/nfs/dbraw/zinc/45/57/10/537455710.db2.gz	QTZRLEYDCJJPTA-UHFFFAOYSA-N	1	0	353.426	1.191	20	30		FDEDRO
C#CCOc1ccc(CN2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)cc1	ZINC000365232945	537456608	/nfs/dbraw/zinc/45/66/08/537456608.db2.gz	GDTICLOMACJOOC-SFHVURJKSA-N	1	0	362.495	1.440	20	30		FDEDRO
COc1ccc(CCNC(=[NH2+])NC[C@@H]2COC3(CCCC3)O2)cc1OC	ZINC000271575186	537460110	/nfs/dbraw/zinc/46/01/10/537460110.db2.gz	WFXIGKIUEPSZSJ-OAHLLOKOSA-N	1	0	363.458	1.836	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)nn1CCC#N	ZINC000293462992	537472949	/nfs/dbraw/zinc/47/29/49/537472949.db2.gz	QYMADXIQJSYIIL-AWEZNQCLSA-N	1	0	372.473	1.377	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1	ZINC000299197839	537473211	/nfs/dbraw/zinc/47/32/11/537473211.db2.gz	UBMKIOGPOBHOTK-UHFFFAOYSA-N	1	0	353.413	1.890	20	30		FDEDRO
COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1	ZINC000299230979	537493055	/nfs/dbraw/zinc/49/30/55/537493055.db2.gz	PODTXBSSCBAWRT-RDJZCZTQSA-N	1	0	372.469	1.750	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)CN2CCN(c3ncc(F)cn3)CC2)cc1	ZINC000273718353	537494712	/nfs/dbraw/zinc/49/47/12/537494712.db2.gz	PEPTVWLDJMJJGE-INIZCTEOSA-N	1	0	357.389	1.049	20	30		FDEDRO
C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000288462128	537505476	/nfs/dbraw/zinc/50/54/76/537505476.db2.gz	DYSBLVFZSCLYBF-WMLDXEAASA-N	1	0	358.467	1.986	20	30		FDEDRO
C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCn3ncc(C(N)=O)c3C2)cc1	ZINC000281177443	537507046	/nfs/dbraw/zinc/50/70/46/537507046.db2.gz	QIPSLYCXYAVMJQ-HUUCEWRRSA-N	1	0	352.438	1.907	20	30		FDEDRO
N#Cc1c(F)ccc(C[NH2+]C[C@@H]2CCn3ncc(C(N)=O)c3C2)c1Cl	ZINC000365425371	537513605	/nfs/dbraw/zinc/51/36/05/537513605.db2.gz	DSQYRHSCYRLFEA-SNVBAGLBSA-N	1	0	361.808	1.998	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cn(C)nc2-c2ccccc2)CC1	ZINC000299270427	537527619	/nfs/dbraw/zinc/52/76/19/537527619.db2.gz	MCQYNNWNRAFCMX-UHFFFAOYSA-N	1	0	367.453	1.792	20	30		FDEDRO
C#CCN(Cc1ccc(F)cc1)C(=O)NC1CCN(CC[NH+](C)C)CC1	ZINC000299384160	537560330	/nfs/dbraw/zinc/56/03/30/537560330.db2.gz	RDWXPNDIILLMBD-UHFFFAOYSA-N	1	0	360.477	1.997	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cn1)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000293708646	537568251	/nfs/dbraw/zinc/56/82/51/537568251.db2.gz	LSIOWFFKKAGTSU-HIFRSBDPSA-N	1	0	355.442	1.661	20	30		FDEDRO
CN(C)C(NCc1ccccc1)=[NH+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O	ZINC000365693028	537573750	/nfs/dbraw/zinc/57/37/50/537573750.db2.gz	WQYPNTXETYDPLD-KXBFYZLASA-N	1	0	357.458	1.414	20	30		FDEDRO
C=CCc1cc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc(OC)c1O	ZINC000360017940	537575846	/nfs/dbraw/zinc/57/58/46/537575846.db2.gz	FLQOMYWNYXNKDF-MGPUTAFESA-N	1	0	373.453	1.939	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1	ZINC000281781091	537581829	/nfs/dbraw/zinc/58/18/29/537581829.db2.gz	NAKFMSXOCCQDKV-SJORKVTESA-N	1	0	366.487	1.128	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C	ZINC000299445019	537583036	/nfs/dbraw/zinc/58/30/36/537583036.db2.gz	LENOGEXVKCAUDR-QGZVFWFLSA-N	1	0	366.421	1.924	20	30		FDEDRO
COc1cc(C#N)ccc1OCC(=O)NCCN1CC[N@H+](C)C(C)(C)C1	ZINC000281908797	537585898	/nfs/dbraw/zinc/58/58/98/537585898.db2.gz	ZUNYUAIASANFPT-UHFFFAOYSA-N	1	0	360.458	1.088	20	30		FDEDRO
N#C[C@H]1CN(C(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)CCN1C1CC1	ZINC000365813905	537587830	/nfs/dbraw/zinc/58/78/30/537587830.db2.gz	IFWZMSLFNRKNBU-OALUTQOASA-N	1	0	356.445	1.989	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1	ZINC000363020956	537602714	/nfs/dbraw/zinc/60/27/14/537602714.db2.gz	ZDLJBCXSWHZIKU-HUUCEWRRSA-N	1	0	373.457	1.441	20	30		FDEDRO
C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000293871135	537614573	/nfs/dbraw/zinc/61/45/73/537614573.db2.gz	SRLPXTFXDYWYGO-UHFFFAOYSA-N	1	0	359.373	1.810	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](C[NH2+]C)C2)c1	ZINC000237314444	537623511	/nfs/dbraw/zinc/62/35/11/537623511.db2.gz	IUTVVJCARFRNCZ-CQSZACIVSA-N	1	0	351.472	1.223	20	30		FDEDRO
O=C(NC[C@H]1CCCCS1(=O)=O)N1CCC[C@@H]([NH+]2CCCC2)CC1	ZINC000329546273	537638767	/nfs/dbraw/zinc/63/87/67/537638767.db2.gz	ICAUMKSQMYZCIX-HZPDHXFCSA-N	1	0	357.520	1.818	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)CCc1nc(-c2ccc(OC)cc2)no1	ZINC000294004841	537639617	/nfs/dbraw/zinc/63/96/17/537639617.db2.gz	PEWRJUUPLYMCCA-UHFFFAOYSA-N	1	0	356.426	1.749	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2COCCN2C2CCCC2)C1	ZINC000329864104	537644317	/nfs/dbraw/zinc/64/43/17/537644317.db2.gz	SLDNUXATTPHJBP-QZTJIDSGSA-N	1	0	353.507	1.943	20	30		FDEDRO
CCC[NH+]1CCC(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CC1	ZINC000329918607	537645640	/nfs/dbraw/zinc/64/56/40/537645640.db2.gz	RGRISYDKBHEKDZ-DLBZAZTESA-N	1	0	363.462	1.149	20	30		FDEDRO
O=C(CN1CCS(=O)(=O)CC1)NC1CC[NH+](C2CCCCC2)CC1	ZINC000329921125	537645862	/nfs/dbraw/zinc/64/58/62/537645862.db2.gz	HJLKFNOZHYVOMO-UHFFFAOYSA-N	1	0	357.520	1.470	20	30		FDEDRO
Cc1cc(N2CCC[C@H](NC(=O)N3CC[C@@]4(CC[N@H+](C)C4)C3)C2)n(C)n1	ZINC000330223749	537652423	/nfs/dbraw/zinc/65/24/23/537652423.db2.gz	SKWHRIADSNFDEB-QFBILLFUSA-N	1	0	360.506	1.639	20	30		FDEDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCC(C(=O)OC(C)(C)C)CC1	ZINC000330745388	537660996	/nfs/dbraw/zinc/66/09/96/537660996.db2.gz	SMHPJHMNVPEAPN-HNNXBMFYSA-N	1	0	354.495	1.200	20	30		FDEDRO
CC(C)C[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)CC1	ZINC000285216784	537662561	/nfs/dbraw/zinc/66/25/61/537662561.db2.gz	JVNXJIOAFVDFHU-UHFFFAOYSA-N	1	0	356.470	1.753	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000291765825	537673448	/nfs/dbraw/zinc/67/34/48/537673448.db2.gz	VYQSGNAXBLERQK-GOSISDBHSA-N	1	0	354.454	1.902	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C	ZINC000285298180	537677345	/nfs/dbraw/zinc/67/73/45/537677345.db2.gz	VUEIZFSMBYCCFP-FHWLQOOXSA-N	1	0	373.497	1.373	20	30		FDEDRO
N#CCCCCNC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000285379497	537694543	/nfs/dbraw/zinc/69/45/43/537694543.db2.gz	HONAWQVBGIJPSX-SFHVURJKSA-N	1	0	356.470	1.967	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)CC2)cc1	ZINC000418793749	537768759	/nfs/dbraw/zinc/76/87/59/537768759.db2.gz	QFDDAPPESXQYTO-RTBURBONSA-N	1	0	355.486	1.903	20	30		FDEDRO
CN(C)C(=O)[C@H]1CC[C@@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)O1	ZINC000375840470	537780604	/nfs/dbraw/zinc/78/06/04/537780604.db2.gz	PJDPHGMMBKYRMO-RBUKOAKNSA-N	1	0	356.470	1.752	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)cc1F	ZINC000418891966	537826012	/nfs/dbraw/zinc/82/60/12/537826012.db2.gz	VHMKSCCGYPXSTJ-SJLPKXTDSA-N	1	0	372.444	1.694	20	30		FDEDRO
C[NH+](C)CCn1nccc1NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000560438867	545501790	/nfs/dbraw/zinc/50/17/90/545501790.db2.gz	OLIKVGHEYBNJJZ-OAHLLOKOSA-N	1	0	369.429	1.397	20	30		FDEDRO
CC(=O)N1CCC[C@@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000376180725	537845932	/nfs/dbraw/zinc/84/59/32/537845932.db2.gz	IVLDIYNFFZPKFU-GOSISDBHSA-N	1	0	354.454	1.672	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1	ZINC000409508330	537855353	/nfs/dbraw/zinc/85/53/53/537855353.db2.gz	MBEHREUQXSYWSB-HRCADAONSA-N	1	0	360.524	1.049	20	30		FDEDRO
CC(C)[C@H](CNC(=O)[C@H](C)n1cnc(C#N)n1)[N@@H+]1CCc2ccccc2C1	ZINC000409581346	537865341	/nfs/dbraw/zinc/86/53/41/537865341.db2.gz	SJWGUUDTHMMPJW-YJBOKZPZSA-N	1	0	366.469	1.910	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1	ZINC000418980365	537873827	/nfs/dbraw/zinc/87/38/27/537873827.db2.gz	AOXAMDHKZDFDRW-GOSISDBHSA-N	1	0	355.438	1.665	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1	ZINC000416569900	537885674	/nfs/dbraw/zinc/88/56/74/537885674.db2.gz	YYIZEOLGOGJSBI-OAHLLOKOSA-N	1	0	365.499	1.613	20	30		FDEDRO
COC(=O)[C@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@H+](C)C1	ZINC000411923662	537904909	/nfs/dbraw/zinc/90/49/09/537904909.db2.gz	WFLWBFVKDHIVJB-CYBMUJFWSA-N	1	0	364.833	1.187	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)NC[C@H]1CCCn2cc(C)nc21	ZINC000372246731	537905866	/nfs/dbraw/zinc/90/58/66/537905866.db2.gz	GWEGPBYJSQSUAL-OAHLLOKOSA-N	1	0	366.421	1.836	20	30		FDEDRO
Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](CO)[C@@H]2CCCOC2)c1C	ZINC000411994188	537927749	/nfs/dbraw/zinc/92/77/49/537927749.db2.gz	MXLIEGUECAYERM-QZTJIDSGSA-N	1	0	359.470	1.927	20	30		FDEDRO
C=C(C)CN(C)C(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000410814406	537988632	/nfs/dbraw/zinc/98/86/32/537988632.db2.gz	ROMVDCHPKOWXAA-FQEVSTJZSA-N	1	0	359.470	1.116	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(C(=O)Nc3cccnc3)CC2)CC1	ZINC000368696437	537988884	/nfs/dbraw/zinc/98/88/84/537988884.db2.gz	XWXRFIWDQMQCGN-UHFFFAOYSA-N	1	0	354.454	1.604	20	30		FDEDRO
C=CCc1ccc(OCC(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)c(OC)c1	ZINC000368974560	537994941	/nfs/dbraw/zinc/99/49/41/537994941.db2.gz	OBIHPWSXCMCJNC-MRXNPFEDSA-N	1	0	362.470	1.718	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000369235280	538007577	/nfs/dbraw/zinc/00/75/77/538007577.db2.gz	IFUBXDAGZGCIJF-RTBURBONSA-N	1	0	373.501	1.404	20	30		FDEDRO
Cc1cc(NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)c(C#N)cc1N(C)C	ZINC000417165684	538017462	/nfs/dbraw/zinc/01/74/62/538017462.db2.gz	WIAYELKEVLACTI-MRXNPFEDSA-N	1	0	359.474	1.901	20	30		FDEDRO
C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000419332399	538044383	/nfs/dbraw/zinc/04/43/83/538044383.db2.gz	HRNOFYJQZRFKHN-KGLIPLIRSA-N	1	0	364.877	1.927	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1	ZINC000415430118	538044452	/nfs/dbraw/zinc/04/44/52/538044452.db2.gz	SNYKRLMBHNVWRS-INIZCTEOSA-N	1	0	358.442	1.919	20	30		FDEDRO
C[NH2+]CCN(C)C(=O)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)C)C2	ZINC000415546897	538074572	/nfs/dbraw/zinc/07/45/72/538074572.db2.gz	NVEAJHVWJJHDDT-GFCCVEGCSA-N	1	0	362.499	1.997	20	30		FDEDRO
N#CCC[C@H](NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1	ZINC000419483136	538076496	/nfs/dbraw/zinc/07/64/96/538076496.db2.gz	ZFXNDIMUZFFCKH-FJIDUMEYSA-N	1	0	354.454	1.652	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1C#N	ZINC000415874321	538091778	/nfs/dbraw/zinc/09/17/78/538091778.db2.gz	APADUWYRKWJLOO-AEFFLSMTSA-N	1	0	370.453	1.550	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1	ZINC000419871342	538125189	/nfs/dbraw/zinc/12/51/89/538125189.db2.gz	CJFBLYIFDSQDKM-ROUUACIJSA-N	1	0	359.470	1.682	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1	ZINC000419871339	538125254	/nfs/dbraw/zinc/12/52/54/538125254.db2.gz	CJFBLYIFDSQDKM-MSOLQXFVSA-N	1	0	359.470	1.682	20	30		FDEDRO
C[C@H]1CCCN(C(=O)C(=O)N(C)CCOCc2ccc(C#N)cc2)[C@@H]1C[NH3+]	ZINC000423723915	538150028	/nfs/dbraw/zinc/15/00/28/538150028.db2.gz	GRHCULLYDJHJCG-MAUKXSAKSA-N	1	0	372.469	1.119	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C2CC2)cc1	ZINC000419973177	538172191	/nfs/dbraw/zinc/17/21/91/538172191.db2.gz	HHIKVCMGVLHVEY-MRXNPFEDSA-N	1	0	354.454	1.555	20	30		FDEDRO
C=CCC[C@H]1NC(=O)N(CCCC[NH+]2CCN(c3ncccn3)CC2)C1=O	ZINC000420003815	538184675	/nfs/dbraw/zinc/18/46/75/538184675.db2.gz	TZZADARZRLECFN-MRXNPFEDSA-N	1	0	372.473	1.265	20	30		FDEDRO
CCn1c(N)c(C(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)c(=O)[nH]c1=O	ZINC000433031575	538197603	/nfs/dbraw/zinc/19/76/03/538197603.db2.gz	ZMIJQWMWPUNDCE-CQSZACIVSA-N	1	0	369.425	1.758	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C	ZINC000420053505	538199906	/nfs/dbraw/zinc/19/99/06/538199906.db2.gz	GKZMVQACOWULKG-NVXWUHKLSA-N	1	0	359.470	1.473	20	30		FDEDRO
COc1ccc(NC(=O)Cn2cc(NC(=O)[C@@H]([NH3+])CCCC#N)cn2)cc1	ZINC000424114052	538237054	/nfs/dbraw/zinc/23/70/54/538237054.db2.gz	POELJWARJHWGIW-INIZCTEOSA-N	1	0	370.413	1.490	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CCC2)cc1	ZINC000446174493	538280849	/nfs/dbraw/zinc/28/08/49/538280849.db2.gz	GMOSBBFPYQQNRQ-UHFFFAOYSA-N	1	0	373.457	1.533	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(CC[NH2+]C)CC2)c1	ZINC000440848813	538286829	/nfs/dbraw/zinc/28/68/29/538286829.db2.gz	WLZGUCTYHMESLV-UHFFFAOYSA-N	1	0	365.499	1.613	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1Br	ZINC000420427268	538293298	/nfs/dbraw/zinc/29/32/98/538293298.db2.gz	QUQZHKZZMZFEBG-WDEREUQCSA-N	1	0	358.261	1.869	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NCC1(N2CCOCC2)CCCCC1	ZINC000451680397	538301579	/nfs/dbraw/zinc/30/15/79/538301579.db2.gz	LQJAPNZZDODCAI-MSOLQXFVSA-N	1	0	365.518	1.461	20	30		FDEDRO
C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)N3CCC(C#N)CC3)cccc21	ZINC000434913294	538364810	/nfs/dbraw/zinc/36/48/10/538364810.db2.gz	MRTGMOGGFNDKNX-MRXNPFEDSA-N	1	0	356.426	1.772	20	30		FDEDRO
CC[NH+]1CCC(N2CCCN([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)CC1	ZINC000420973463	538370458	/nfs/dbraw/zinc/37/04/58/538370458.db2.gz	CNEWFCOSOWDDSF-FQEVSTJZSA-N	1	0	369.513	1.577	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3CCC[N@H+]3CCCO)cc2C1=O	ZINC000452350358	538378093	/nfs/dbraw/zinc/37/80/93/538378093.db2.gz	OBCKVYHKDKGSFK-HNNXBMFYSA-N	1	0	371.437	1.045	20	30		FDEDRO
C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NCC2(CC#N)CC2)cc1	ZINC000430361456	538382889	/nfs/dbraw/zinc/38/28/89/538382889.db2.gz	ZGUDOSAUQGFYQZ-UHFFFAOYSA-N	1	0	371.441	1.325	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C	ZINC000435308324	538393279	/nfs/dbraw/zinc/39/32/79/538393279.db2.gz	FLRQBCDBFWKTQX-INIZCTEOSA-N	1	0	361.442	1.671	20	30		FDEDRO
C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1	ZINC000448763954	538411550	/nfs/dbraw/zinc/41/15/50/538411550.db2.gz	PYDZZHSVGFQLNS-TZMCWYRMSA-N	1	0	360.845	1.632	20	30		FDEDRO
C=CCCCC[C@H](C)[NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1	ZINC000449141725	538419757	/nfs/dbraw/zinc/41/97/57/538419757.db2.gz	MAYPXLQBRCEXJN-INIZCTEOSA-N	1	0	359.536	1.752	20	30		FDEDRO
C=CCC[C@H](CO)NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000457723737	538510733	/nfs/dbraw/zinc/51/07/33/538510733.db2.gz	UYUDCZKLUGUGOE-GOSISDBHSA-N	1	0	360.502	1.825	20	30		FDEDRO
Cn1ncc(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)c1C#N	ZINC000476563485	538528739	/nfs/dbraw/zinc/52/87/39/538528739.db2.gz	DVRBTGKKBRGULL-UHFFFAOYSA-N	1	0	367.453	1.739	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NC[C@H](C3CC3)[NH+](C)C)C2)n1	ZINC000471790128	538540492	/nfs/dbraw/zinc/54/04/92/538540492.db2.gz	UVDGPYLMNSTNHG-ZWKOTPCHSA-N	1	0	355.486	1.935	20	30		FDEDRO
N#Cc1cccc(CCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1	ZINC000466829641	538571780	/nfs/dbraw/zinc/57/17/80/538571780.db2.gz	WXQPQCUEOLVMGS-UHFFFAOYSA-N	1	0	369.469	1.050	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3C[C@@H](C)[C@@H]([NH+](C)C)C3)C2)n1	ZINC000472096753	538581189	/nfs/dbraw/zinc/58/11/89/538581189.db2.gz	TWHACOCMPQUQJL-JLSDUUJJSA-N	1	0	355.486	1.887	20	30		FDEDRO
C[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1cccc(C#N)c1	ZINC000462255412	538609810	/nfs/dbraw/zinc/60/98/10/538609810.db2.gz	QXYWAHSLNZTEPW-CRAIPNDOSA-N	1	0	354.454	1.427	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1	ZINC000462363353	538618207	/nfs/dbraw/zinc/61/82/07/538618207.db2.gz	YIFVZOMJIXFDBY-WMLDXEAASA-N	1	0	365.499	1.563	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H](SC)[C@H]([NH+](C)C)C3)cc2C1=O	ZINC000495681986	538679400	/nfs/dbraw/zinc/67/94/00/538679400.db2.gz	MTRQQAAUZPYZNP-HZPDHXFCSA-N	1	0	373.478	1.586	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1	ZINC000487779263	538681040	/nfs/dbraw/zinc/68/10/40/538681040.db2.gz	FFNVQRIRYBFAKI-MRXNPFEDSA-N	1	0	351.491	1.418	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	ZINC000488215723	538726246	/nfs/dbraw/zinc/72/62/46/538726246.db2.gz	ITQMEIIJJRMQKM-HOTGVXAUSA-N	1	0	351.491	1.559	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cc1C#N	ZINC000489136724	538791872	/nfs/dbraw/zinc/79/18/72/538791872.db2.gz	YBVYZVMIPOXPMF-KRWDZBQOSA-N	1	0	358.467	1.713	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CCC1	ZINC000474076710	538817027	/nfs/dbraw/zinc/81/70/27/538817027.db2.gz	CQLUWIRAWDXFDE-QGZVFWFLSA-N	1	0	354.454	1.650	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](C#N)c2ccccc2F)CC1=O	ZINC000498255814	538817849	/nfs/dbraw/zinc/81/78/49/538817849.db2.gz	UWANIRDRWZSCCJ-DAYGRLMNSA-N	1	0	372.444	1.839	20	30		FDEDRO
C[NH+](C)C1CCN(CCNS(=O)(=O)Cc2ccc(C#N)cc2F)CC1	ZINC000480692397	538862525	/nfs/dbraw/zinc/86/25/25/538862525.db2.gz	YVFRLOOGYJSHOY-UHFFFAOYSA-N	1	0	368.478	1.143	20	30		FDEDRO
Cn1c2cc(Br)ccc2nc1Cn1c(=O)c(C#N)cn(C)c1=O	ZINC000486025475	538863246	/nfs/dbraw/zinc/86/32/46/538863246.db2.gz	FKDKBKPPJBDDSD-UHFFFAOYSA-N	1	0	374.198	1.116	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]CCc1ccc(F)c(Br)c1	ZINC000560888482	545626407	/nfs/dbraw/zinc/62/64/07/545626407.db2.gz	VWKZZHLSIVJBQA-CYBMUJFWSA-N	1	0	358.255	1.927	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCc3ccccc32)CC1	ZINC000561450971	545856594	/nfs/dbraw/zinc/85/65/94/545856594.db2.gz	XRTXMSBHAGISJX-KRWDZBQOSA-N	1	0	355.482	1.989	20	30		FDEDRO
CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000562813616	546280283	/nfs/dbraw/zinc/28/02/83/546280283.db2.gz	KMXURUXSNHUOIV-QZTJIDSGSA-N	1	0	369.469	1.443	20	30		FDEDRO
C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CCN(c2cccc(C#N)n2)CC1	ZINC000562943241	546321644	/nfs/dbraw/zinc/32/16/44/546321644.db2.gz	IZBHVKBNQOYJFZ-QGZVFWFLSA-N	1	0	370.501	1.905	20	30		FDEDRO
CC(C)(C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C1(O)CCOCC1	ZINC000563008484	546352462	/nfs/dbraw/zinc/35/24/62/546352462.db2.gz	ZTOSEQIHNCODHQ-UHFFFAOYSA-N	1	0	366.483	1.489	20	30		FDEDRO
C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)Nc2cccc(C#N)n2)C1	ZINC000563956442	546753455	/nfs/dbraw/zinc/75/34/55/546753455.db2.gz	ROLUGGACYYOFFK-GJZGRUSLSA-N	1	0	357.458	1.766	20	30		FDEDRO
COc1ccc(CN2CC[C@H]([NH2+]Cc3cc(C#N)n(C)c3)C2=O)c(OC)c1	ZINC000564119466	546815262	/nfs/dbraw/zinc/81/52/62/546815262.db2.gz	MBZGFCKUYCRIED-SFHVURJKSA-N	1	0	368.437	1.805	20	30		FDEDRO
COc1ccc(CN2CC[C@@H]([NH2+]Cc3cc(C#N)n(C)c3)C2=O)c(OC)c1	ZINC000564119465	546815370	/nfs/dbraw/zinc/81/53/70/546815370.db2.gz	MBZGFCKUYCRIED-GOSISDBHSA-N	1	0	368.437	1.805	20	30		FDEDRO
CC[C@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000564421444	546910015	/nfs/dbraw/zinc/91/00/15/546910015.db2.gz	FIYHOYSUNWUING-WMZOPIPTSA-N	1	0	369.469	1.789	20	30		FDEDRO
Cc1cc(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)n(CCC#N)n1	ZINC000564509341	546935983	/nfs/dbraw/zinc/93/59/83/546935983.db2.gz	SRCVJKIJMVPNIQ-UHFFFAOYSA-N	1	0	367.457	1.651	20	30		FDEDRO
CN(C)[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C1CCCCC1	ZINC000564562638	546953930	/nfs/dbraw/zinc/95/39/30/546953930.db2.gz	BQDJYEUFWMAAHC-QGZVFWFLSA-N	1	0	364.515	1.827	20	30		FDEDRO
CCOC(=O)CC[C@@H](O)C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000564850916	547067597	/nfs/dbraw/zinc/06/75/97/547067597.db2.gz	DJPRJHBSYCTNPG-AQFXKWCLSA-N	1	0	361.442	1.937	20	30		FDEDRO
CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000564865359	547073379	/nfs/dbraw/zinc/07/33/79/547073379.db2.gz	XZYVAUVSOIRIQN-KGLIPLIRSA-N	1	0	351.428	1.048	20	30		FDEDRO
Cc1cnc([C@H](C)C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)s1	ZINC000564874415	547077317	/nfs/dbraw/zinc/07/73/17/547077317.db2.gz	ZWTGYLGFPKGPGJ-LLVKDONJSA-N	1	0	350.469	1.885	20	30		FDEDRO
C=CCN(C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1	ZINC000565176565	547235622	/nfs/dbraw/zinc/23/56/22/547235622.db2.gz	GFHNLMFPKTUPAF-ROUUACIJSA-N	1	0	362.495	1.710	20	30		FDEDRO
C[NH+](C)[C@@H](CNC(=O)C(=O)NCCCCC#N)c1ccc(Cl)cc1	ZINC000565498462	547375295	/nfs/dbraw/zinc/37/52/95/547375295.db2.gz	YYXYKEFWSNDLJQ-HNNXBMFYSA-N	1	0	350.850	1.869	20	30		FDEDRO
N#CCCN(C(=O)CN1CCC(CO)([NH2+]CC2CC2)CC1)c1ccccc1	ZINC000565540860	547391210	/nfs/dbraw/zinc/39/12/10/547391210.db2.gz	GXMYJRNBCMITOI-UHFFFAOYSA-N	1	0	370.497	1.760	20	30		FDEDRO
CN1CC[N@H+](CCCNC(=O)[C@H]([NH3+])CCCC#N)[C@@H](c2ccccc2)C1	ZINC000565713670	547452082	/nfs/dbraw/zinc/45/20/82/547452082.db2.gz	JFUAOWITKHCHLL-RTBURBONSA-N	1	0	357.502	1.503	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O	ZINC000565770399	547473921	/nfs/dbraw/zinc/47/39/21/547473921.db2.gz	SOQRRGBJBHODFJ-HSALFYBXSA-N	1	0	363.477	1.695	20	30		FDEDRO
N#CCCC1CCN(C(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1	ZINC000566236724	547675836	/nfs/dbraw/zinc/67/58/36/547675836.db2.gz	JDMWOUSPZALLMF-UHFFFAOYSA-N	1	0	372.513	1.799	20	30		FDEDRO
CC[C@H]1C[N@H+](C)CCN1C(=O)CCc1c(C)nc2c(C#N)cnn2c1C	ZINC000566698827	547857393	/nfs/dbraw/zinc/85/73/93/547857393.db2.gz	SWSFTBIDEMFERL-INIZCTEOSA-N	1	0	354.458	1.703	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccc(CC#N)cc3)CC[C@@H]21	ZINC000566738573	547869913	/nfs/dbraw/zinc/86/99/13/547869913.db2.gz	YVBALDNGAIBSPR-MSOLQXFVSA-N	1	0	354.454	1.312	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1	ZINC000567167034	548018662	/nfs/dbraw/zinc/01/86/62/548018662.db2.gz	PMBBWMRMSNQRJN-SJORKVTESA-N	1	0	354.458	1.412	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C	ZINC000567296202	548067615	/nfs/dbraw/zinc/06/76/15/548067615.db2.gz	FECAXJZMJLAELR-SQNIBIBYSA-N	1	0	365.518	1.855	20	30		FDEDRO
CC[NH+]1CCC(N2CCCN(S(=O)(=O)CCC(C)(C)C#N)CC2)CC1	ZINC000567608822	548179892	/nfs/dbraw/zinc/17/98/92/548179892.db2.gz	OVLBWBPOBLXFNW-UHFFFAOYSA-N	1	0	370.563	1.748	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]CCCc2nnc3ccccn32)cc1	ZINC000567682537	548211304	/nfs/dbraw/zinc/21/13/04/548211304.db2.gz	VADGUZMHYKNEPZ-KRWDZBQOSA-N	1	0	365.437	1.757	20	30		FDEDRO
CC(C)(C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C1(O)CCOCC1	ZINC000567693527	548216830	/nfs/dbraw/zinc/21/68/30/548216830.db2.gz	VTQNHUXZVSUZDA-UHFFFAOYSA-N	1	0	366.483	1.489	20	30		FDEDRO
N#CCc1ccc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C[NH3+])C2=O)cc1	ZINC000567808373	548267466	/nfs/dbraw/zinc/26/74/66/548267466.db2.gz	OHUCGTJJVPVITP-KUHUBIRLSA-N	1	0	369.425	1.131	20	30		FDEDRO
N#Cc1cccc(NC(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)n1	ZINC000567835567	548280797	/nfs/dbraw/zinc/28/07/97/548280797.db2.gz	WQQLPEVOWYWXJM-UHFFFAOYSA-N	1	0	364.409	1.320	20	30		FDEDRO
C[NH+](C)CC(=O)N1CCN(c2c(C#N)cnc3c(Cl)cccc32)CC1	ZINC000568860490	548708838	/nfs/dbraw/zinc/70/88/38/548708838.db2.gz	VHABONQDHUQFHY-UHFFFAOYSA-N	1	0	357.845	1.970	20	30		FDEDRO
CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000569333233	548879110	/nfs/dbraw/zinc/87/91/10/548879110.db2.gz	ZLXNTAALKRSCEO-HZPDHXFCSA-N	1	0	363.483	1.569	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCC[N@H+](C)C2)cc1	ZINC000569605333	548979857	/nfs/dbraw/zinc/97/98/57/548979857.db2.gz	VSOHVQJRDPVDTN-UONOGXRCSA-N	1	0	364.471	1.836	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCC[N@H+](C)C2)cc1	ZINC000569605336	548980087	/nfs/dbraw/zinc/98/00/87/548980087.db2.gz	VSOHVQJRDPVDTN-ZIAGYGMSSA-N	1	0	364.471	1.836	20	30		FDEDRO
N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC[C@@H](CC[NH3+])C3)C2=O)cc1	ZINC000569794282	549048991	/nfs/dbraw/zinc/04/89/91/549048991.db2.gz	MQSPURZLQVFQTN-FUHWJXTLSA-N	1	0	369.469	1.430	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCN(c3ncccc3F)C2)cc1	ZINC000570390406	549262271	/nfs/dbraw/zinc/26/22/71/549262271.db2.gz	CCTZXKNSJSILST-HOTGVXAUSA-N	1	0	356.401	1.701	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2OC)[C@@H](C)C1	ZINC000570560471	549325459	/nfs/dbraw/zinc/32/54/59/549325459.db2.gz	RHDXOGKPIPLFOJ-BBRMVZONSA-N	1	0	358.442	1.694	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCn2cnc3ccccc32)cc1	ZINC000571613024	549706408	/nfs/dbraw/zinc/70/64/08/549706408.db2.gz	XIDGIJGQPPYTSG-UHFFFAOYSA-N	1	0	354.435	1.971	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)c1ccc(F)c(F)c1	ZINC000571659566	549726072	/nfs/dbraw/zinc/72/60/72/549726072.db2.gz	FYXPTDAUTYLXKV-LRDDRELGSA-N	1	0	351.397	1.896	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+]CCNC(=O)c2ccc(F)cc2)cc1	ZINC000571670620	549730131	/nfs/dbraw/zinc/73/01/31/549730131.db2.gz	DVANEHFEJRKXIE-GOSISDBHSA-N	1	0	371.412	1.651	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NCCCC(=O)N1CCN(c2ccccc2)CC1	ZINC000571675403	549731410	/nfs/dbraw/zinc/73/14/10/549731410.db2.gz	HLPMDGUKXDCASS-SFHVURJKSA-N	1	0	371.485	1.253	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCC[C@H]([NH+](C)C)CC1	ZINC000571834213	549777313	/nfs/dbraw/zinc/77/73/13/549777313.db2.gz	FNDAUQXLSYHPNL-INIZCTEOSA-N	1	0	367.457	2.395	20	30		FDEDRO
C[NH+](C)C[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)c1ccc(F)cc1	ZINC000572153583	549854486	/nfs/dbraw/zinc/85/44/86/549854486.db2.gz	DVSMCNNFEBZCTK-SFHVURJKSA-N	1	0	368.412	1.846	20	30		FDEDRO
C=C(C)[C@H](NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1ccc(F)c(F)c1	ZINC000572303988	549886226	/nfs/dbraw/zinc/88/62/26/549886226.db2.gz	BJSLAUSAMVRNMK-RCBQFDQVSA-N	1	0	364.396	1.535	20	30		FDEDRO
C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000572377187	549900908	/nfs/dbraw/zinc/90/09/08/549900908.db2.gz	PNDVLQPTASSTJA-QGZVFWFLSA-N	1	0	370.453	1.017	20	30		FDEDRO
C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1cccc(Br)c1C#N	ZINC000572613489	549956000	/nfs/dbraw/zinc/95/60/00/549956000.db2.gz	DKGYBMMAIGQJJL-UWVGGRQHSA-N	1	0	358.261	1.821	20	30		FDEDRO
C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+](C)CCOCc1ccc(C#N)cc1	ZINC000572678220	549970780	/nfs/dbraw/zinc/97/07/80/549970780.db2.gz	JIPSYPNWTYTRBV-MAUKXSAKSA-N	1	0	372.469	1.119	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCN(c3ccccc3)C2)nc1	ZINC000572714010	549977645	/nfs/dbraw/zinc/97/76/45/549977645.db2.gz	RZOUMWNIDNXCIN-KRWDZBQOSA-N	1	0	370.478	1.843	20	30		FDEDRO
CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]CCOc2ccc(C#N)cc2)cc1	ZINC000572993074	550040546	/nfs/dbraw/zinc/04/05/46/550040546.db2.gz	MGCYSDQAAGQBIZ-SFHVURJKSA-N	1	0	369.421	1.925	20	30		FDEDRO
N#CCC[C@@H](C#N)C[NH2+]C[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2	ZINC000573084281	550059444	/nfs/dbraw/zinc/05/94/44/550059444.db2.gz	PHJBHNLBMWGYQF-WDSOQIARSA-N	1	0	351.454	1.618	20	30		FDEDRO
C[NH+](C)CCOc1cnccc1CNC(=O)c1ncc(C#N)cc1Cl	ZINC000573173433	550079352	/nfs/dbraw/zinc/07/93/52/550079352.db2.gz	BLZQKMZFAMWPSP-UHFFFAOYSA-N	1	0	359.817	1.872	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000573401903	550129366	/nfs/dbraw/zinc/12/93/66/550129366.db2.gz	BBRNJHLXOSEYCU-IBGZPJMESA-N	1	0	373.497	1.818	20	30		FDEDRO
CS(=O)(=O)C1(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CCC1	ZINC000573557637	550163716	/nfs/dbraw/zinc/16/37/16/550163716.db2.gz	GWMORVZLJSYRNA-OAHLLOKOSA-N	1	0	352.456	1.049	20	30		FDEDRO
C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)C2)C1	ZINC000573895703	550227823	/nfs/dbraw/zinc/22/78/23/550227823.db2.gz	GBITWZMKYPWJPT-IBGZPJMESA-N	1	0	368.416	2.443	20	30		FDEDRO
COc1cc(CNC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)ccc1C#N	ZINC000575052042	550416214	/nfs/dbraw/zinc/41/62/14/550416214.db2.gz	OUILPWPWABIUJC-SFHVURJKSA-N	1	0	373.501	1.638	20	30		FDEDRO
CC1CCC([NH+]2CCN(C(=O)C(=O)Nc3cccc(C#N)n3)CC2)CC1	ZINC000576871531	550595059	/nfs/dbraw/zinc/59/50/59/550595059.db2.gz	JJKFALHVUOQKAH-UHFFFAOYSA-N	1	0	355.442	1.615	20	30		FDEDRO
C=CCn1c([C@@H]2CCCO2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000576940395	550602322	/nfs/dbraw/zinc/60/23/22/550602322.db2.gz	NXHNBXCUCKFGQQ-INIZCTEOSA-N	1	0	374.489	1.060	20	30		FDEDRO
CCCN(CCC[NH+](C)C)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1	ZINC000577113815	550622019	/nfs/dbraw/zinc/62/20/19/550622019.db2.gz	SWXMUTHLXWITSX-UHFFFAOYSA-N	1	0	366.487	1.027	20	30		FDEDRO
C[NH+](C)CCCOc1cnccc1CNS(=O)(=O)c1ccc(C#N)cc1	ZINC000577296003	550642103	/nfs/dbraw/zinc/64/21/03/550642103.db2.gz	ZCBQDLSUAGNMIJ-UHFFFAOYSA-N	1	0	374.466	1.762	20	30		FDEDRO
CC(C)[NH2+]CCCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000577482586	550660975	/nfs/dbraw/zinc/66/09/75/550660975.db2.gz	KZXVYIXAVVEGQH-UHFFFAOYSA-N	1	0	367.247	1.764	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)ncc1C#N	ZINC000577744710	550690250	/nfs/dbraw/zinc/69/02/50/550690250.db2.gz	UGKLSIVTEHYKHT-UHFFFAOYSA-N	1	0	365.437	1.621	20	30		FDEDRO
O=C1CCc2cc(OC[C@@H](O)C[NH2+]CC#Cc3ccccc3)ccc2N1	ZINC000578232084	550742497	/nfs/dbraw/zinc/74/24/97/550742497.db2.gz	HCCVQDVCIFQBDK-SFHVURJKSA-N	1	0	350.418	1.952	20	30		FDEDRO
C=CCCCNC(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1	ZINC000578360932	550756359	/nfs/dbraw/zinc/75/63/59/550756359.db2.gz	LNKXBSIZIJCRHV-IRXDYDNUSA-N	1	0	350.507	1.086	20	30		FDEDRO
N#CC1(NC(=O)[C@H]2CCCCC(=O)N2)CC[NH+](Cc2ccccc2)CC1	ZINC000579073193	550831848	/nfs/dbraw/zinc/83/18/48/550831848.db2.gz	DMOOTVIBCBRFHE-QGZVFWFLSA-N	1	0	354.454	1.720	20	30		FDEDRO
COCC[NH+](CCOC)C1CCN(C(=O)NCC2(CC#N)CC2)CC1	ZINC000579337250	550861876	/nfs/dbraw/zinc/86/18/76/550861876.db2.gz	JANBGCKSGZLDLN-UHFFFAOYSA-N	1	0	352.479	1.449	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N(CC[NH3+])CCc1ccccc1	ZINC000579569130	550886974	/nfs/dbraw/zinc/88/69/74/550886974.db2.gz	MHQXRNBWPPUXIN-UHFFFAOYSA-N	1	0	366.421	1.535	20	30		FDEDRO
CC[NH2+]CCCNC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N	ZINC000579687661	550899269	/nfs/dbraw/zinc/89/92/69/550899269.db2.gz	LMDYWWKYIBHJBN-UHFFFAOYSA-N	1	0	367.409	1.800	20	30		FDEDRO
C[C@@H](NC(=O)N1CCN(c2cnccc2C#N)CC1)C(C)(C)C[NH+](C)C	ZINC000579787699	550909737	/nfs/dbraw/zinc/90/97/37/550909737.db2.gz	LIGKZGVQMDIKBH-OAHLLOKOSA-N	1	0	358.490	1.761	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C	ZINC000579794719	550910216	/nfs/dbraw/zinc/91/02/16/550910216.db2.gz	QOZXNIUKFKAQSE-HNNXBMFYSA-N	1	0	361.494	1.558	20	30		FDEDRO
CCOc1ccccc1NC(=O)CC[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000580406001	550978477	/nfs/dbraw/zinc/97/84/77/550978477.db2.gz	QWNKWIAVSJMZQI-UHFFFAOYSA-N	1	0	370.457	2.155	20	30		FDEDRO
C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)[C@H](O)Cc1ccccc1	ZINC000581071772	551049294	/nfs/dbraw/zinc/04/92/94/551049294.db2.gz	IXRFQVBIIKOQSD-WMLDXEAASA-N	1	0	359.451	1.309	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)CCC[NH+](C)C)cc1	ZINC000581150020	551057381	/nfs/dbraw/zinc/05/73/81/551057381.db2.gz	JZYDFRUDZGPKTF-CYBMUJFWSA-N	1	0	352.460	1.788	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1CCC(C(=O)NCCC[NH+](CC)CC)CC1	ZINC000581222163	551065107	/nfs/dbraw/zinc/06/51/07/551065107.db2.gz	QZLGTYJKSWELBR-LJQANCHMSA-N	1	0	353.507	1.400	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)CC2)cc1	ZINC000581364274	551080633	/nfs/dbraw/zinc/08/06/33/551080633.db2.gz	SUPVYWUTOLCOBF-RTBURBONSA-N	1	0	364.449	1.384	20	30		FDEDRO
N#Cc1ccc(OCC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1	ZINC000581603181	551110191	/nfs/dbraw/zinc/11/01/91/551110191.db2.gz	NMXYOTGWHIREDW-HNNXBMFYSA-N	1	0	357.366	1.875	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc(C[NH3+])cc1	ZINC000581606015	551111100	/nfs/dbraw/zinc/11/11/00/551111100.db2.gz	MCSOKLRSVLSKMW-AWEZNQCLSA-N	1	0	365.441	1.227	20	30		FDEDRO
C[C@@H]1CCC[C@](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)(N(C)C)C1	ZINC000581849186	551140369	/nfs/dbraw/zinc/14/03/69/551140369.db2.gz	DPOUZFUKZYHXRJ-QAPCUYQASA-N	1	0	364.515	1.827	20	30		FDEDRO
CCc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(C#N)n2)[NH+](C)C)cc1	ZINC000581942413	551153379	/nfs/dbraw/zinc/15/33/79/551153379.db2.gz	QRYFGIZCJVLSMP-QGZVFWFLSA-N	1	0	365.437	1.873	20	30		FDEDRO
N#Cc1ccc(Cl)c(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)c1	ZINC000582007574	551162552	/nfs/dbraw/zinc/16/25/52/551162552.db2.gz	ZVSASKBHSVXXHZ-UHFFFAOYSA-N	1	0	362.861	1.934	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC1CC[NH+](CC)CC1	ZINC000582327610	551207893	/nfs/dbraw/zinc/20/78/93/551207893.db2.gz	OEZRGUIUKMIZMP-UHFFFAOYSA-N	1	0	358.442	1.744	20	30		FDEDRO
C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C#N)n2)C1	ZINC000582485655	551230936	/nfs/dbraw/zinc/23/09/36/551230936.db2.gz	YEZCHFKLSHGGNR-RHSMWYFYSA-N	1	0	363.421	1.843	20	30		FDEDRO
COC(=O)c1cccc(CN2CCC(CO)([NH2+]CC3CC3)CC2)c1C#N	ZINC000582609420	551247761	/nfs/dbraw/zinc/24/77/61/551247761.db2.gz	PDKTWKFSCOOQCM-UHFFFAOYSA-N	1	0	357.454	1.671	20	30		FDEDRO
CC[NH+]1CCC(CNC(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1	ZINC000582937805	551283058	/nfs/dbraw/zinc/28/30/58/551283058.db2.gz	BWRXTNCBOYKSNE-UHFFFAOYSA-N	1	0	367.457	2.301	20	30		FDEDRO
CN(C)C(=O)c1cccc(CC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)c1	ZINC000583258722	551326244	/nfs/dbraw/zinc/32/62/44/551326244.db2.gz	RMCSPLRHOHZNGG-IBGZPJMESA-N	1	0	367.449	1.832	20	30		FDEDRO
CC(C)[NH+](CCNC(=O)N1CCN(c2cnccc2C#N)CC1)C(C)C	ZINC000583357354	551339487	/nfs/dbraw/zinc/33/94/87/551339487.db2.gz	BXRXDMDRLOXOJV-UHFFFAOYSA-N	1	0	358.490	1.904	20	30		FDEDRO
CN(C)C[C@@H](Cc1ccccc1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000583589119	551373900	/nfs/dbraw/zinc/37/39/00/551373900.db2.gz	DHRKDXXXIVGUJN-GOSISDBHSA-N	1	0	372.494	1.489	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1	ZINC000583714066	551391634	/nfs/dbraw/zinc/39/16/34/551391634.db2.gz	ZMXNAWNORASTEF-JKSUJKDBSA-N	1	0	351.491	1.322	20	30		FDEDRO
CC[NH+](CC)CC1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1	ZINC000583776327	551400602	/nfs/dbraw/zinc/40/06/02/551400602.db2.gz	ZUZOBWYXVZNAAN-UHFFFAOYSA-N	1	0	364.515	1.781	20	30		FDEDRO
C=CCN1CCC([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000583807466	551404722	/nfs/dbraw/zinc/40/47/22/551404722.db2.gz	MVIKFRBWFLYCHI-UHFFFAOYSA-N	1	0	353.444	1.609	20	30		FDEDRO
COC[C@H](C)OC[C@H](O)C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000583929335	551421817	/nfs/dbraw/zinc/42/18/17/551421817.db2.gz	CQDZQDDLCUHQCQ-FQXVJMBOSA-N	1	0	363.458	1.645	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)ncc1C#N	ZINC000584419759	551494435	/nfs/dbraw/zinc/49/44/35/551494435.db2.gz	PESOPHQJVVCVAE-MRXNPFEDSA-N	1	0	355.442	1.677	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1CCN(c2ccc(Br)cn2)CC1	ZINC000584527003	551511976	/nfs/dbraw/zinc/51/19/76/551511976.db2.gz	QHKPAFFCLVBXQC-CYBMUJFWSA-N	1	0	366.263	1.514	20	30		FDEDRO
CC[NH+](CC)CCCNC(=O)C1CCN(c2ccc(C#N)c(N)n2)CC1	ZINC000584731350	551538666	/nfs/dbraw/zinc/53/86/66/551538666.db2.gz	WEZLEGBUZKDEKY-UHFFFAOYSA-N	1	0	358.490	1.600	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1	ZINC000584828041	551555304	/nfs/dbraw/zinc/55/53/04/551555304.db2.gz	KQCWCKJTPYNFFT-QZTJIDSGSA-N	1	0	359.470	1.462	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)c1cccc(C#N)c1	ZINC000585723123	551587845	/nfs/dbraw/zinc/58/78/45/551587845.db2.gz	XYXLABXCPCIWIS-SCLBCKFNSA-N	1	0	360.483	1.289	20	30		FDEDRO
CCC[NH+]1CCC(CNC(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)CC1	ZINC000585775159	551597522	/nfs/dbraw/zinc/59/75/22/551597522.db2.gz	NUPZSEFODOVQGX-OAHLLOKOSA-N	1	0	356.470	1.974	20	30		FDEDRO
C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCc1ccc(C#N)cc1F	ZINC000586864571	551628070	/nfs/dbraw/zinc/62/80/70/551628070.db2.gz	YTTDQYBCYGQYIQ-MRXNPFEDSA-N	1	0	360.433	1.550	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000588224556	551660187	/nfs/dbraw/zinc/66/01/87/551660187.db2.gz	LDRLJFQZLNVVPO-YJBOKZPZSA-N	1	0	354.454	1.672	20	30		FDEDRO
C[C@H](NC(=O)NCC(=O)NCC[NH+]1CCCCCC1)c1cccc(C#N)c1	ZINC000590071312	551758966	/nfs/dbraw/zinc/75/89/66/551758966.db2.gz	CCOVUPHXOVXGOW-INIZCTEOSA-N	1	0	371.485	1.911	20	30		FDEDRO
C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1	ZINC000590219081	551765507	/nfs/dbraw/zinc/76/55/07/551765507.db2.gz	ISWWFECOHROYJQ-LBPRGKRZSA-N	1	0	365.231	1.470	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NCC[NH+]2CCCC2)ccc1Br	ZINC000590226708	551765963	/nfs/dbraw/zinc/76/59/63/551765963.db2.gz	BKALUWSLADENQN-UHFFFAOYSA-N	1	0	365.231	1.471	20	30		FDEDRO
C[NH+](C)CCCOc1ccc(NC(=O)C(=O)Nc2ccc(C#N)cn2)cc1	ZINC000590247384	551767436	/nfs/dbraw/zinc/76/74/36/551767436.db2.gz	UNSJZRVWVLWJPK-UHFFFAOYSA-N	1	0	367.409	1.861	20	30		FDEDRO
CC(C)C[C@H](NC(=O)c1cc(C#N)cn1C)C(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000590397873	551779941	/nfs/dbraw/zinc/77/99/41/551779941.db2.gz	IANUJDSRQWDIMH-CVEARBPZSA-N	1	0	359.474	1.204	20	30		FDEDRO
N#Cc1cccc(OCCCCC(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)c1	ZINC000590549694	551790836	/nfs/dbraw/zinc/79/08/36/551790836.db2.gz	NTOLXYQWCVBKPD-MSOLQXFVSA-N	1	0	357.454	1.775	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](N3CCOCC3)C2)cc1	ZINC000590610811	551798997	/nfs/dbraw/zinc/79/89/97/551798997.db2.gz	CMRRNDUMZVJQCK-OALUTQOASA-N	1	0	359.470	1.289	20	30		FDEDRO
C[C@H](CC#N)Sc1ccccc1NC(=O)NCC(=O)N1CC[NH2+]CC1	ZINC000591286299	551856275	/nfs/dbraw/zinc/85/62/75/551856275.db2.gz	HZNSCNZCZPBRJW-CYBMUJFWSA-N	1	0	361.471	1.634	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)cc1Br	ZINC000591292245	551857081	/nfs/dbraw/zinc/85/70/81/551857081.db2.gz	QHMCRGDUZGXWRH-LBPRGKRZSA-N	1	0	365.231	1.518	20	30		FDEDRO
C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	ZINC000591292586	551857122	/nfs/dbraw/zinc/85/71/22/551857122.db2.gz	RIGFIGDIRQAXST-CYBMUJFWSA-N	1	0	365.393	1.504	20	30		FDEDRO
C[C@@H]([NH3+])[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCO1	ZINC000591297666	551857945	/nfs/dbraw/zinc/85/79/45/551857945.db2.gz	AXHTZUGVPQDHJM-ABAIWWIYSA-N	1	0	374.832	1.977	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)CCO1	ZINC000591299648	551858056	/nfs/dbraw/zinc/85/80/56/551858056.db2.gz	QXAREPJRFVBDSX-GXFFZTMASA-N	1	0	364.471	1.430	20	30		FDEDRO
CN1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)[C@@H](C[NH3+])C1	ZINC000591305219	551859609	/nfs/dbraw/zinc/85/96/09/551859609.db2.gz	IBMOHLITOJTPCE-LBPRGKRZSA-N	1	0	357.336	1.563	20	30		FDEDRO
N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)NC/C=C/C[NH3+]	ZINC000591360866	551866220	/nfs/dbraw/zinc/86/62/20/551866220.db2.gz	BLKDDQXNRONDOM-SNAWJCMRSA-N	1	0	353.430	1.073	20	30		FDEDRO
C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000591360610	551866261	/nfs/dbraw/zinc/86/62/61/551866261.db2.gz	PBFIIXBBKVEDOX-IUODEOHRSA-N	1	0	358.446	1.253	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1	ZINC000591362172	551866492	/nfs/dbraw/zinc/86/64/92/551866492.db2.gz	ZZYBIBVEFNVITN-OCCSQVGLSA-N	1	0	358.446	1.383	20	30		FDEDRO
C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC(C)(C)CC#N)C1	ZINC000591558879	551878813	/nfs/dbraw/zinc/87/88/13/551878813.db2.gz	HTYCWZTUQDROFU-KRWDZBQOSA-N	1	0	356.470	1.775	20	30		FDEDRO
N#CC[C@@]1(O)CCN(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C1	ZINC000591973879	551922661	/nfs/dbraw/zinc/92/26/61/551922661.db2.gz	GGKAZSIDCIRNLO-HXUWFJFHSA-N	1	0	372.469	1.203	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CCNS(=O)(=O)c2ccccc2F)CC1	ZINC000592070465	551935692	/nfs/dbraw/zinc/93/56/92/551935692.db2.gz	VNOLNHPBEZNTHJ-UHFFFAOYSA-N	1	0	369.462	1.261	20	30		FDEDRO
C=CCNC(=O)NC(=O)CN(C(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000592154044	551950840	/nfs/dbraw/zinc/95/08/40/551950840.db2.gz	JEABRUSLYYYOFI-SFHVURJKSA-N	1	0	358.486	1.983	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C	ZINC000592221112	551962694	/nfs/dbraw/zinc/96/26/94/551962694.db2.gz	BCWOKWYNBLABJO-AWEZNQCLSA-N	1	0	373.457	1.929	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)cc1Br	ZINC000592387303	551987514	/nfs/dbraw/zinc/98/75/14/551987514.db2.gz	IRBPBOPFFRLMCI-NSHDSACASA-N	1	0	358.261	1.741	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CCC[NH3+])CC1CCCC1	ZINC000592388928	551987802	/nfs/dbraw/zinc/98/78/02/551987802.db2.gz	PRLWPKBPSQMHHA-UHFFFAOYSA-N	1	0	366.443	1.996	20	30		FDEDRO
C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	ZINC000592428454	551994205	/nfs/dbraw/zinc/99/42/05/551994205.db2.gz	PCUSETWUKJRYQP-CHWSQXEVSA-N	1	0	367.409	1.926	20	30		FDEDRO
C[C@@H](C[NH+](C)C)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1	ZINC000592800089	552030378	/nfs/dbraw/zinc/03/03/78/552030378.db2.gz	RUTHIPQGTUKBSD-NSHDSACASA-N	1	0	365.275	1.823	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN(C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)CCO2	ZINC000592898573	552040313	/nfs/dbraw/zinc/04/03/13/552040313.db2.gz	IANYLJSMQOBQHR-GOSISDBHSA-N	1	0	352.438	1.564	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2cc(=O)n3ccccc3n2)cc1	ZINC000592998364	552052015	/nfs/dbraw/zinc/05/20/15/552052015.db2.gz	SIPUDKLQNCDNHS-KRWDZBQOSA-N	1	0	364.405	1.290	20	30		FDEDRO
N#CC1(NC(=O)CN2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)CCC1	ZINC000593068475	552057740	/nfs/dbraw/zinc/05/77/40/552057740.db2.gz	ORVWFUFLNFCTGW-RTBURBONSA-N	1	0	368.481	1.524	20	30		FDEDRO
N#Cc1cccc(CN2CCC([NH2+][C@H](C3CC3)[C@@H]3CNCCO3)CC2)c1	ZINC000593324561	552089571	/nfs/dbraw/zinc/08/95/71/552089571.db2.gz	XFXXUTWEYPLVHH-LEWJYISDSA-N	1	0	354.498	1.879	20	30		FDEDRO
C[C@]1(NC(=O)NC2CCN(CC#N)CC2)CC[N@H+](Cc2ccccc2)C1	ZINC000593338113	552091804	/nfs/dbraw/zinc/09/18/04/552091804.db2.gz	VUVCIOIDADNIHU-FQEVSTJZSA-N	1	0	355.486	1.938	20	30		FDEDRO
CC(=O)NCC(C)(C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593347740	552093435	/nfs/dbraw/zinc/09/34/35/552093435.db2.gz	FTMGFYMUKAVQLS-UHFFFAOYSA-N	1	0	356.470	1.801	20	30		FDEDRO
CN1CC[C@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1=O	ZINC000593349318	552093599	/nfs/dbraw/zinc/09/35/99/552093599.db2.gz	WAYJSEPQUOJOPS-KRWDZBQOSA-N	1	0	355.442	1.053	20	30		FDEDRO
CN(CCOCCO)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593513216	552119968	/nfs/dbraw/zinc/11/99/68/552119968.db2.gz	FSESKQLBUVOLFH-UHFFFAOYSA-N	1	0	360.458	1.173	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCO[C@@H](CF)C3)CC2)c1	ZINC000593514708	552120470	/nfs/dbraw/zinc/12/04/70/552120470.db2.gz	ABZTUVIEJCUVLM-SFHVURJKSA-N	1	0	360.433	1.903	20	30		FDEDRO
CCC[C@H](O)[C@H](CO)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593515558	552121189	/nfs/dbraw/zinc/12/11/89/552121189.db2.gz	KMIURQLKMYMLSR-OALUTQOASA-N	1	0	374.485	1.344	20	30		FDEDRO
C[C@@H](CNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1)N1CC[NH+](C)CC1	ZINC000593558943	552133618	/nfs/dbraw/zinc/13/36/18/552133618.db2.gz	WTWHAVXALBHEHL-HNNXBMFYSA-N	1	0	364.515	1.402	20	30		FDEDRO
C[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)[C@@H]1CC[NH3+]	ZINC000593731390	552185649	/nfs/dbraw/zinc/18/56/49/552185649.db2.gz	VGBNTOQPXSUQMF-DGCLKSJQSA-N	1	0	352.416	1.604	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)Cn3ccccc3=O)CC2)c1	ZINC000593884041	552216703	/nfs/dbraw/zinc/21/67/03/552216703.db2.gz	SGHHNTKVFASJMK-UHFFFAOYSA-N	1	0	350.422	1.501	20	30		FDEDRO
C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1	ZINC000593906248	552223060	/nfs/dbraw/zinc/22/30/60/552223060.db2.gz	HTYCKGDIRDZJOA-CRFBAAHOSA-N	1	0	370.453	1.089	20	30		FDEDRO
CNC(=O)[C@@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C(C)C	ZINC000593928319	552227783	/nfs/dbraw/zinc/22/77/83/552227783.db2.gz	PXRRDKFTTMJOEG-SFHVURJKSA-N	1	0	371.485	1.592	20	30		FDEDRO
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1	ZINC000594256269	552271558	/nfs/dbraw/zinc/27/15/58/552271558.db2.gz	OPPRINCSIAYUDL-IYBDPMFKSA-N	1	0	359.449	1.869	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1	ZINC000594283536	552277231	/nfs/dbraw/zinc/27/72/31/552277231.db2.gz	RZKXFHQMWFHTAD-MSOLQXFVSA-N	1	0	368.485	1.802	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)nc1	ZINC000594284374	552277916	/nfs/dbraw/zinc/27/79/16/552277916.db2.gz	YNFYKVCTAISKDV-ROUUACIJSA-N	1	0	368.485	1.802	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)ncc1C#N	ZINC000594288050	552278895	/nfs/dbraw/zinc/27/88/95/552278895.db2.gz	GCBDXBRSCYVWJE-UMVBOHGHSA-N	1	0	357.458	1.683	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1	ZINC000594293442	552280187	/nfs/dbraw/zinc/28/01/87/552280187.db2.gz	UBMIDQDVORBJLH-FXAWDEMLSA-N	1	0	354.498	1.975	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1	ZINC000594311662	552284869	/nfs/dbraw/zinc/28/48/69/552284869.db2.gz	IUZIRZCWXPBCJT-SOUVJXGZSA-N	1	0	358.442	1.419	20	30		FDEDRO
CC(C)C[C@H](NC(=O)[C@@H](C)Cc1ccc(C#N)cc1)C(=O)NCC[NH+](C)C	ZINC000594333093	552290347	/nfs/dbraw/zinc/29/03/47/552290347.db2.gz	SEACHLKLIWABRL-LPHOPBHVSA-N	1	0	372.513	1.946	20	30		FDEDRO
C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000594427519	552308905	/nfs/dbraw/zinc/30/89/05/552308905.db2.gz	INPCGVGNHCFDRW-XJKSGUPXSA-N	1	0	366.487	1.525	20	30		FDEDRO
C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)[C@@H]([NH3+])CCCCC#N	ZINC000594435701	552309332	/nfs/dbraw/zinc/30/93/32/552309332.db2.gz	IMOWRSZTQFVYQF-DOMZBBRYSA-N	1	0	352.460	1.265	20	30		FDEDRO
C[C@@H]1CN(c2ccc(CNC(=O)[C@H]([NH3+])CCCCC#N)cn2)C[C@H](C)O1	ZINC000594440941	552310947	/nfs/dbraw/zinc/31/09/47/552310947.db2.gz	JPVZQXOUIUPCGG-HLLBOEOZSA-N	1	0	359.474	1.723	20	30		FDEDRO
CNS(=O)(=O)c1cccc([C@H](C)NC(=O)[C@H]([NH3+])CCCCC#N)c1	ZINC000594440754	552311280	/nfs/dbraw/zinc/31/12/80/552311280.db2.gz	ZFHPVQQPPODNBW-SWLSCSKDSA-N	1	0	352.460	1.183	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1	ZINC000594444976	552311740	/nfs/dbraw/zinc/31/17/40/552311740.db2.gz	HGCOBWZZTNHFKW-MRXNPFEDSA-N	1	0	362.405	1.648	20	30		FDEDRO
COC(=O)c1cc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc(S(C)(=O)=O)c1	ZINC000594445434	552312168	/nfs/dbraw/zinc/31/21/68/552312168.db2.gz	FMTGFRAMSIYSMC-AWEZNQCLSA-N	1	0	367.427	1.226	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC1CC1	ZINC000594450249	552312750	/nfs/dbraw/zinc/31/27/50/552312750.db2.gz	VRGUUTRIDWEOFF-ROUUACIJSA-N	1	0	354.454	1.630	20	30		FDEDRO
C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)[C@H]([NH3+])CCCCC#N	ZINC000594455613	552314091	/nfs/dbraw/zinc/31/40/91/552314091.db2.gz	ADDKTEDVYQVSJK-GDBMZVCRSA-N	1	0	366.487	1.271	20	30		FDEDRO
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2ccc(C#N)c(Br)c2)C1	ZINC000594474584	552319796	/nfs/dbraw/zinc/31/97/96/552319796.db2.gz	KJKBYPNAKQULDE-KLPPZKSPSA-N	1	0	372.288	1.939	20	30		FDEDRO
C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000594802797	552390985	/nfs/dbraw/zinc/39/09/85/552390985.db2.gz	CJHNGBWLPIMMMY-ZDUSSCGKSA-N	1	0	372.922	1.762	20	30		FDEDRO
Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCN(C)C[C@@H]1C[NH3+]	ZINC000595108936	552453442	/nfs/dbraw/zinc/45/34/42/552453442.db2.gz	RFSXJVJRYCFZDB-ZDUSSCGKSA-N	1	0	364.496	1.345	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C	ZINC000595108574	552453589	/nfs/dbraw/zinc/45/35/89/552453589.db2.gz	SMVWMOWTKVNQSR-AWEZNQCLSA-N	1	0	359.474	1.193	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N(CC)[C@H]1CC[N@H+](CC)C1	ZINC000595130038	552461065	/nfs/dbraw/zinc/46/10/65/552461065.db2.gz	JBUIIBAPLUMGTM-HNNXBMFYSA-N	1	0	358.442	1.838	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1	ZINC000595232030	552499275	/nfs/dbraw/zinc/49/92/75/552499275.db2.gz	PVVLMHIMDRWWDV-ZLKJLUDKSA-N	1	0	354.407	1.275	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NCC2([NH3+])CCCC2)c1	ZINC000595238379	552502065	/nfs/dbraw/zinc/50/20/65/552502065.db2.gz	WMPVHPWTDWMZBI-UHFFFAOYSA-N	1	0	352.341	1.486	20	30		FDEDRO
CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000595239991	552502372	/nfs/dbraw/zinc/50/23/72/552502372.db2.gz	JNSFAAGQHWHTBF-UHFFFAOYSA-N	1	0	358.320	1.591	20	30		FDEDRO
CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	ZINC000595240107	552502818	/nfs/dbraw/zinc/50/28/18/552502818.db2.gz	OKDJUXYLLOJOOA-UHFFFAOYSA-N	1	0	357.439	1.816	20	30		FDEDRO
CC(C)([NH3+])CNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595265081	552507841	/nfs/dbraw/zinc/50/78/41/552507841.db2.gz	JIPONRHUDPZNKK-UHFFFAOYSA-N	1	0	367.457	1.517	20	30		FDEDRO
C=CCCSCCNC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000595270064	552508988	/nfs/dbraw/zinc/50/89/88/552508988.db2.gz	BSFMKJZNZIUFRN-CVEARBPZSA-N	1	0	368.547	1.586	20	30		FDEDRO
C[NH+](C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)c1ccc(C#N)nc1	ZINC000595403670	552550969	/nfs/dbraw/zinc/55/09/69/552550969.db2.gz	HEWZIZXMVYWGMP-HNNXBMFYSA-N	1	0	364.471	1.217	20	30		FDEDRO
N#Cc1cccc(CNC(=O)CN2CCC[C@@H]([NH+]3CCOCC3)CC2)c1	ZINC000595468648	552567256	/nfs/dbraw/zinc/56/72/56/552567256.db2.gz	AUXUANCWEISPOU-LJQANCHMSA-N	1	0	356.470	1.361	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](N3CCC[C@@H]([NH+]4CCOCC4)CC3)C2=O)cc1	ZINC000595470712	552567639	/nfs/dbraw/zinc/56/76/39/552567639.db2.gz	QRKYIRYMCJPXPD-QUCCMNQESA-N	1	0	368.481	1.850	20	30		FDEDRO
C=CCCSCCNC(=O)NCc1cccnc1N1CC[NH+](C)CC1	ZINC000595475783	552569032	/nfs/dbraw/zinc/56/90/32/552569032.db2.gz	KPEVARUUAVZSLD-UHFFFAOYSA-N	1	0	363.531	1.942	20	30		FDEDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000595549306	552582489	/nfs/dbraw/zinc/58/24/89/552582489.db2.gz	CFWDJNMYOKGBPL-KRWDZBQOSA-N	1	0	357.502	1.674	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNC(=O)NCCc2ccc(C#N)cc2)ccn1	ZINC000595580491	552587443	/nfs/dbraw/zinc/58/74/43/552587443.db2.gz	ZLYWTKKFMTZMEW-UHFFFAOYSA-N	1	0	367.453	1.936	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@H](Cn4ccnn4)C3)C2=O)cc1	ZINC000595605771	552591400	/nfs/dbraw/zinc/59/14/00/552591400.db2.gz	GAFLTNOJSFDPOY-FUHWJXTLSA-N	1	0	350.426	1.667	20	30		FDEDRO
CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000595631694	552595369	/nfs/dbraw/zinc/59/53/69/552595369.db2.gz	KDOYGRDTBBZKAC-JFIYKMOQSA-N	1	0	366.483	1.488	20	30		FDEDRO
N#Cc1ccc(CCNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)cc1	ZINC000595641352	552596217	/nfs/dbraw/zinc/59/62/17/552596217.db2.gz	JMCTZEIPXFDCQC-UHFFFAOYSA-N	1	0	371.485	1.392	20	30		FDEDRO
C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000595788151	552615184	/nfs/dbraw/zinc/61/51/84/552615184.db2.gz	QHGIJPAPRBSEJV-QGZVFWFLSA-N	1	0	370.501	1.905	20	30		FDEDRO
CN(C)C(=O)N(C)[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000595823157	552619658	/nfs/dbraw/zinc/61/96/58/552619658.db2.gz	HELSYZLTCRRUKP-DLBZAZTESA-N	1	0	360.458	1.180	20	30		FDEDRO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCC3(COC3)C2)CC1	ZINC000595834527	552622000	/nfs/dbraw/zinc/62/20/00/552622000.db2.gz	PPWHQFVVNZKIIL-HNNXBMFYSA-N	1	0	360.483	1.179	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1	ZINC000595862427	552624876	/nfs/dbraw/zinc/62/48/76/552624876.db2.gz	BNBVWPQHQUZZEN-OALUTQOASA-N	1	0	359.470	1.023	20	30		FDEDRO
COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]CCS(=O)(=O)c1cccc(C#N)c1	ZINC000595897639	552630143	/nfs/dbraw/zinc/63/01/43/552630143.db2.gz	INWNYCKZGVCLOZ-YQFWSFKMSA-N	1	0	362.451	1.509	20	30		FDEDRO
CC(C)C[C@H]([NH3+])C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595969315	552639974	/nfs/dbraw/zinc/63/99/74/552639974.db2.gz	DLMHRLDDPVGUFJ-KRWDZBQOSA-N	1	0	366.469	1.970	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CCN(C(=O)CC4([NH3+])CCC4)CC3)n[nH]2)cc1	ZINC000595971530	552640083	/nfs/dbraw/zinc/64/00/83/552640083.db2.gz	QYCFBFBAYAJMPN-UHFFFAOYSA-N	1	0	364.453	1.868	20	30		FDEDRO
CO[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C1CCCCC1	ZINC000596067165	552652017	/nfs/dbraw/zinc/65/20/17/552652017.db2.gz	UKWVMNIICDBUKY-MRXNPFEDSA-N	1	0	351.472	1.912	20	30		FDEDRO
C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000596071360	552652493	/nfs/dbraw/zinc/65/24/93/552652493.db2.gz	ZAHBJUXGJHYMAU-PBHICJAKSA-N	1	0	359.451	1.481	20	30		FDEDRO
N#Cc1cnnc(N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1	ZINC000596099027	552655240	/nfs/dbraw/zinc/65/52/40/552655240.db2.gz	WYVSQIGYJVRYBL-QGZVFWFLSA-N	1	0	363.469	1.782	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCc2nn[nH]c21	ZINC000596828459	552715185	/nfs/dbraw/zinc/71/51/85/552715185.db2.gz	KDNUACNJYDVSDR-MRXNPFEDSA-N	1	0	352.442	1.687	20	30		FDEDRO
CN(CC1C[NH+](C)C1)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1	ZINC000596832605	552715572	/nfs/dbraw/zinc/71/55/72/552715572.db2.gz	QEJMHRRPAUKBRK-UHFFFAOYSA-N	1	0	358.833	2.423	20	30		FDEDRO
C[C@@H](CC#N)C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000597023090	552736067	/nfs/dbraw/zinc/73/60/67/552736067.db2.gz	ZSKMFVMGXRYJRG-ROUUACIJSA-N	1	0	355.486	1.992	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1	ZINC000597026621	552736446	/nfs/dbraw/zinc/73/64/46/552736446.db2.gz	PPRQGLJZNTXMIF-IBGZPJMESA-N	1	0	352.482	1.980	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)c1ccc(C#N)cc1	ZINC000597183665	552758690	/nfs/dbraw/zinc/75/86/90/552758690.db2.gz	CJKOYBMLOVHXAY-CRAIPNDOSA-N	1	0	372.469	1.305	20	30		FDEDRO
C[C@H](CC#N)N(C)c1nnc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1C[C@H]1CCCO1	ZINC000597338248	552777028	/nfs/dbraw/zinc/77/70/28/552777028.db2.gz	NXXQNYUHXVZDOH-VQHPVUNQSA-N	1	0	374.489	1.731	20	30		FDEDRO
CC(C)(CC#N)CNC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1	ZINC000597431947	552788266	/nfs/dbraw/zinc/78/82/66/552788266.db2.gz	ATPXUBRJXQWQCR-OAHLLOKOSA-N	1	0	373.505	1.648	20	30		FDEDRO
C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C1	ZINC000597575443	552807086	/nfs/dbraw/zinc/80/70/86/552807086.db2.gz	XRSLQXRJBUGEAL-IBGZPJMESA-N	1	0	354.410	1.742	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cc1	ZINC000597623889	552813675	/nfs/dbraw/zinc/81/36/75/552813675.db2.gz	DALYNAFZRPGWAG-RTBURBONSA-N	1	0	353.470	1.033	20	30		FDEDRO
C[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1)n1cnc(C#N)n1	ZINC000598195953	552875102	/nfs/dbraw/zinc/87/51/02/552875102.db2.gz	XSCJEWSRUYFBOJ-NVXWUHKLSA-N	1	0	352.442	1.486	20	30		FDEDRO
CCN(C(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C)[C@@H](C)C#N	ZINC000598358116	552888386	/nfs/dbraw/zinc/88/83/86/552888386.db2.gz	CPBMCZLOXOHYKL-ZDUSSCGKSA-N	1	0	352.442	1.938	20	30		FDEDRO
N#Cc1ccc(C[C@H](C#N)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1	ZINC000598451065	552896758	/nfs/dbraw/zinc/89/67/58/552896758.db2.gz	MTYYJMXJFOXTHU-MJGOQNOKSA-N	1	0	352.438	1.298	20	30		FDEDRO
CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)C[C@H](O)CC(C)(C)C#N)C1	ZINC000598589576	552912213	/nfs/dbraw/zinc/91/22/13/552912213.db2.gz	JOXXKBVNJDSENP-HUUCEWRRSA-N	1	0	353.463	1.021	20	30		FDEDRO
CC(C)OCCCNC(=O)C1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1	ZINC000598591095	552912532	/nfs/dbraw/zinc/91/25/32/552912532.db2.gz	ZOSQWGLNRQILMR-QGZVFWFLSA-N	1	0	353.507	1.930	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC(C)(C)CC[C@H]2CO)CC1	ZINC000598645985	552919959	/nfs/dbraw/zinc/91/99/59/552919959.db2.gz	BISBWOHVRDYFBJ-DLBZAZTESA-N	1	0	350.507	1.162	20	30		FDEDRO
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NCC[C@H](C)[NH3+])c1C	ZINC000598684464	552924900	/nfs/dbraw/zinc/92/49/00/552924900.db2.gz	PWTIQCDYQFHGNJ-NSHDSACASA-N	1	0	354.414	1.153	20	30		FDEDRO
N#Cc1c(Br)cccc1S(=O)(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1	ZINC000598727235	552928521	/nfs/dbraw/zinc/92/85/21/552928521.db2.gz	VTKJUZGBZROGOG-IINYFYTJSA-N	1	0	370.272	1.823	20	30		FDEDRO
CN1CCOC[C@@H]1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000599193999	552982194	/nfs/dbraw/zinc/98/21/94/552982194.db2.gz	IONGXEYJDZWDGY-IBGZPJMESA-N	1	0	371.485	1.106	20	30		FDEDRO
CCO[C@@H]1C[C@@H](O)C12CC[NH+](C[C@H](O)CC1(C#N)CCOCC1)CC2	ZINC000599300414	553020209	/nfs/dbraw/zinc/02/02/09/553020209.db2.gz	YAIQNIVLEUNIOL-BRWVUGGUSA-N	1	0	352.475	1.310	20	30		FDEDRO
CS(=O)(=O)C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1ccccc1	ZINC000599353134	553034979	/nfs/dbraw/zinc/03/49/79/553034979.db2.gz	FTRSWIUOOOWLQT-SJORKVTESA-N	1	0	366.483	1.433	20	30		FDEDRO
C[S@](=O)C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1ccccc1	ZINC000599357121	553035762	/nfs/dbraw/zinc/03/57/62/553035762.db2.gz	QWUCLEQIXYVYTA-SRGWNRLKSA-N	1	0	350.484	1.767	20	30		FDEDRO
CS[C@@H]1CN(C[C@@H](O)COc2ccccc2C#N)C[C@H]1[NH+]1CCCC1	ZINC000599371897	553038365	/nfs/dbraw/zinc/03/83/65/553038365.db2.gz	RNIQAQFADGVVEP-ZHALLVOQSA-N	1	0	361.511	1.810	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)CCOCC1	ZINC000599385626	553042063	/nfs/dbraw/zinc/04/20/63/553042063.db2.gz	KLXJYHCCXDJHIK-RDBSUJKOSA-N	1	0	350.381	1.693	20	30		FDEDRO
COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2C[C@H](O)CC2(C#N)CCOCC2)O1	ZINC000599403593	553047781	/nfs/dbraw/zinc/04/77/81/553047781.db2.gz	DJQFNNZSOZKNAH-MTSZKFMLSA-N	1	0	366.458	1.241	20	30		FDEDRO
COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2C[C@H](O)CC2(C#N)CCOCC2)O1	ZINC000599403591	553047949	/nfs/dbraw/zinc/04/79/49/553047949.db2.gz	DJQFNNZSOZKNAH-BIVLZKPYSA-N	1	0	366.458	1.241	20	30		FDEDRO
N#CC1(C[C@H](O)C[N@@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)CCOCC1	ZINC000599427844	553054668	/nfs/dbraw/zinc/05/46/68/553054668.db2.gz	YCANIPQUFMSBIF-RBUKOAKNSA-N	1	0	371.481	1.491	20	30		FDEDRO
C[C@H]1CN(CC(F)(F)F)CC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000599434436	553055802	/nfs/dbraw/zinc/05/58/02/553055802.db2.gz	AEFQPINTRXGGJJ-CABCVRRESA-N	1	0	363.424	1.874	20	30		FDEDRO
CCOc1cccc(C[N@H+](CCO)C[C@H](O)CC2(C#N)CCOCC2)c1	ZINC000599435631	553056129	/nfs/dbraw/zinc/05/61/29/553056129.db2.gz	XUJIPJLTZSSNHA-GOSISDBHSA-N	1	0	362.470	1.951	20	30		FDEDRO
COC(=O)[C@]12C[N@H+](C[C@@H](O)CC3(C#N)CCOCC3)C[C@H]1CCCC2	ZINC000599453826	553061047	/nfs/dbraw/zinc/06/10/47/553061047.db2.gz	BXGKWYTWPJSLPC-JTDSTZFVSA-N	1	0	350.459	1.723	20	30		FDEDRO
Cc1oc(NC(=O)[C@H](C)N2CCC([NH+]3CCOCC3)CC2)c(C#N)c1C	ZINC000599472149	553067006	/nfs/dbraw/zinc/06/70/06/553067006.db2.gz	AJCKQVFSXWGNLO-AWEZNQCLSA-N	1	0	360.458	1.892	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H](N3CCC([NH+]4CCOCC4)CC3)C2=O)cc1	ZINC000599472218	553067034	/nfs/dbraw/zinc/06/70/34/553067034.db2.gz	DOCZQLOASPQTHA-IBGZPJMESA-N	1	0	354.454	1.460	20	30		FDEDRO
COC(=O)[C@H](c1cccc(C#N)c1)N1CCC(C)([NH+]2CCOCC2)CC1	ZINC000599621536	553106127	/nfs/dbraw/zinc/10/61/27/553106127.db2.gz	DXKZGIBDYDPGPW-SFHVURJKSA-N	1	0	357.454	1.959	20	30		FDEDRO
N#Cc1ccc(C2([NH2+]C[C@@H](O)COC[C@@H]3CCCO3)CCOCC2)cc1	ZINC000599629929	553107965	/nfs/dbraw/zinc/10/79/65/553107965.db2.gz	BWPUKHZZWDUOLS-MOPGFXCFSA-N	1	0	360.454	1.710	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)NC[C@]1(CO)COCC2(CCC2)N1C	ZINC000599729338	553132237	/nfs/dbraw/zinc/13/22/37/553132237.db2.gz	UMDSMEVBSVFLIX-IBGZPJMESA-N	1	0	358.442	1.604	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC(=O)N1	ZINC000599751811	553137867	/nfs/dbraw/zinc/13/78/67/553137867.db2.gz	PCZYUZYATGMMAE-DOTOQJQBSA-N	1	0	354.454	1.576	20	30		FDEDRO
CN(CCOCC[NH3+])C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N	ZINC000599900304	553170985	/nfs/dbraw/zinc/17/09/85/553170985.db2.gz	OOVPWSLHQFCEPN-UHFFFAOYSA-N	1	0	352.460	1.289	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1	ZINC000599900964	553171310	/nfs/dbraw/zinc/17/13/10/553171310.db2.gz	VFUPNGQIVUEYLG-DGCLKSJQSA-N	1	0	354.332	1.482	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1	ZINC000599900963	553171334	/nfs/dbraw/zinc/17/13/34/553171334.db2.gz	VFUPNGQIVUEYLG-AAEUAGOBSA-N	1	0	354.332	1.482	20	30		FDEDRO
C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000599937375	553177783	/nfs/dbraw/zinc/17/77/83/553177783.db2.gz	CDTPBHHWTXKKHC-SUMWQHHRSA-N	1	0	355.442	1.669	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1	ZINC000599943079	553180437	/nfs/dbraw/zinc/18/04/37/553180437.db2.gz	ASZQVTPWBOVDSA-MNOVXSKESA-N	1	0	353.410	1.008	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c(F)cc1C#N	ZINC000599950063	553182860	/nfs/dbraw/zinc/18/28/60/553182860.db2.gz	WFNASBCLMSMYRS-ZDUSSCGKSA-N	1	0	358.373	1.117	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(F)cc1C#N	ZINC000599960038	553186139	/nfs/dbraw/zinc/18/61/39/553186139.db2.gz	XAQADOYYHHSODU-OLZOCXBDSA-N	1	0	360.389	1.340	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c(F)cc1C#N	ZINC000599971662	553189456	/nfs/dbraw/zinc/18/94/56/553189456.db2.gz	NBPZWZHXKLUYDC-GFCCVEGCSA-N	1	0	362.405	1.445	20	30		FDEDRO
COc1cc(NC(=O)C(=O)NCC[N@@H+]2CCCC2(C)C)c(F)cc1C#N	ZINC000599979161	553191391	/nfs/dbraw/zinc/19/13/91/553191391.db2.gz	CPUNBAITHXWHDX-UHFFFAOYSA-N	1	0	362.405	1.635	20	30		FDEDRO
N#Cc1ccc(C[C@H](C#N)C(=O)N2CCC([NH+]3CCOCC3)CC2)cc1	ZINC000600106684	553219554	/nfs/dbraw/zinc/21/95/54/553219554.db2.gz	GHJCONOQDUWMLN-GOSISDBHSA-N	1	0	352.438	1.564	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@H]1CCCC[N@@H+](C)C1	ZINC000600309871	553247029	/nfs/dbraw/zinc/24/70/29/553247029.db2.gz	DCRBXFLRFRXXGB-INIZCTEOSA-N	1	0	368.485	1.999	20	30		FDEDRO
N#Cc1cccc(OCc2ccoc2C(=O)NCC[N@H+]2CC[C@@H](O)C2)c1	ZINC000600537168	553281805	/nfs/dbraw/zinc/28/18/05/553281805.db2.gz	YDCLOCPXQBYSGE-MRXNPFEDSA-N	1	0	355.394	1.527	20	30		FDEDRO
Cc1ccc(CN2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1C#N	ZINC000600708251	553305147	/nfs/dbraw/zinc/30/51/47/553305147.db2.gz	DTHHDYNYLHXSSK-RTBURBONSA-N	1	0	353.470	1.587	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]Cc2ccccc2CN2CCOCC2)CCOCC1	ZINC000600714124	553305785	/nfs/dbraw/zinc/30/57/85/553305785.db2.gz	JFZVPSVPUYKTGX-HXUWFJFHSA-N	1	0	373.497	1.680	20	30		FDEDRO
COc1cc(OC)c(OC)cc1C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1	ZINC000600716060	553306180	/nfs/dbraw/zinc/30/61/80/553306180.db2.gz	WBCNYFSGAJXCBE-HNNXBMFYSA-N	1	0	364.442	1.873	20	30		FDEDRO
COCC(=O)Nc1cccc(C[NH2+]C[C@@H](O)COc2ccccc2C#N)c1	ZINC000600720129	553306777	/nfs/dbraw/zinc/30/67/77/553306777.db2.gz	YCRNRCQHXSAKES-GOSISDBHSA-N	1	0	369.421	1.673	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]Cc2cccc(CN3CCCC3=O)c2)CCOCC1	ZINC000600717788	553306787	/nfs/dbraw/zinc/30/67/87/553306787.db2.gz	OAMVQTDKFFHPGT-IBGZPJMESA-N	1	0	371.481	1.970	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)CCOCC1	ZINC000600723233	553307409	/nfs/dbraw/zinc/30/74/09/553307409.db2.gz	WSOADSIGFNTPGY-ZWKOTPCHSA-N	1	0	357.454	1.448	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]CC(=O)N1CCc2ccccc21	ZINC000600723486	553307697	/nfs/dbraw/zinc/30/76/97/553307697.db2.gz	OTFITTWQSHHTRB-QGZVFWFLSA-N	1	0	351.406	1.477	20	30		FDEDRO
COc1ccccc1N1CC[C@H]([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000600732430	553308779	/nfs/dbraw/zinc/30/87/79/553308779.db2.gz	ZJIRWYKMEYQUCA-IRXDYDNUSA-N	1	0	359.470	1.935	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)CCOCC1	ZINC000600731533	553308939	/nfs/dbraw/zinc/30/89/39/553308939.db2.gz	SZYKMXPLFPYGQN-CABCVRRESA-N	1	0	364.877	1.975	20	30		FDEDRO
N#CC1(C[C@H](O)C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)CCOCC1	ZINC000600737697	553309299	/nfs/dbraw/zinc/30/92/99/553309299.db2.gz	IGSYYJQTQXSSEQ-AEFFLSMTSA-N	1	0	350.434	1.638	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H](n1cccn1)C(F)(F)F	ZINC000600749398	553311020	/nfs/dbraw/zinc/31/10/20/553311020.db2.gz	XPSCDBAGPCWYNQ-ZFWWWQNUSA-N	1	0	354.332	1.888	20	30		FDEDRO
CC(C)(C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC1	ZINC000600756817	553311905	/nfs/dbraw/zinc/31/19/05/553311905.db2.gz	PVOPBTDZJJBFLP-UHFFFAOYSA-N	1	0	363.483	1.570	20	30		FDEDRO
N#CC1(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)CC2(CC2)C1	ZINC000601163570	553354886	/nfs/dbraw/zinc/35/48/86/553354886.db2.gz	KMAWADYRXLTZRZ-UHFFFAOYSA-N	1	0	372.513	1.911	20	30		FDEDRO
COCC[N@H+](C)CCN1C[C@H](Nc2ncc(C#N)cc2Cl)CC1=O	ZINC000601178855	553356797	/nfs/dbraw/zinc/35/67/97/553356797.db2.gz	ZSMFTKFEHCVISR-CYBMUJFWSA-N	1	0	351.838	1.198	20	30		FDEDRO
C[NH+]1CCN(CCCCNS(=O)(=O)c2ccccc2CC#N)CC1	ZINC000601303871	553372172	/nfs/dbraw/zinc/37/21/72/553372172.db2.gz	IYLVVCFERWFDMS-UHFFFAOYSA-N	1	0	350.488	1.059	20	30		FDEDRO
C[NH+](C)CCn1cc(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cn1	ZINC000601590660	553441426	/nfs/dbraw/zinc/44/14/26/553441426.db2.gz	KXYJFZYKFUXKMV-MRXNPFEDSA-N	1	0	354.414	1.005	20	30		FDEDRO
C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N1CCN(CCC#N)CC1	ZINC000601633098	553448884	/nfs/dbraw/zinc/44/88/84/553448884.db2.gz	PEGSXCNVJPDYMZ-ICSRJNTNSA-N	1	0	369.513	1.995	20	30		FDEDRO
N#Cc1ncn(CC[NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)n1	ZINC000601963176	553496734	/nfs/dbraw/zinc/49/67/34/553496734.db2.gz	CSGPHLTVABLCAH-GFCCVEGCSA-N	1	0	356.213	1.486	20	30		FDEDRO
N#Cc1cc(F)cc(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1	ZINC000602049370	553507968	/nfs/dbraw/zinc/50/79/68/553507968.db2.gz	LDQWXFAULIIBHX-MRXNPFEDSA-N	1	0	360.389	1.005	20	30		FDEDRO
COc1ccc(CN2CC[C@@H]2C(=O)N(CCC#N)CCC[NH+](C)C)cc1	ZINC000602081725	553515630	/nfs/dbraw/zinc/51/56/30/553515630.db2.gz	AIUZOJASVYNLLS-LJQANCHMSA-N	1	0	358.486	1.963	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(C)(C)C[NH+]1CCOCC1	ZINC000602134041	553525255	/nfs/dbraw/zinc/52/52/55/553525255.db2.gz	CGDPDGCZFXTDTD-UHFFFAOYSA-N	1	0	368.441	1.744	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CC[C@](O)(CC#N)C1	ZINC000602389720	553574409	/nfs/dbraw/zinc/57/44/09/553574409.db2.gz	RHLHINXKRIUJGD-YVWKXTFCSA-N	1	0	356.470	1.815	20	30		FDEDRO
N#Cc1cccc(C[NH2+]CCC(=O)N2CCN(c3ccccn3)CC2)n1	ZINC000602533164	553600523	/nfs/dbraw/zinc/60/05/23/553600523.db2.gz	OQXAYUIXJZYBSB-UHFFFAOYSA-N	1	0	350.426	1.177	20	30		FDEDRO
C[C@H](CCC#N)C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1	ZINC000602536591	553601102	/nfs/dbraw/zinc/60/11/02/553601102.db2.gz	IDJDAVGUTKWWHC-SJORKVTESA-N	1	0	358.490	1.811	20	30		FDEDRO
C[C@@H](CCC#N)C[NH2+]C1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1	ZINC000602622228	553613287	/nfs/dbraw/zinc/61/32/87/553613287.db2.gz	FXJSAZVTTPVSKM-ZDUSSCGKSA-N	1	0	365.455	1.360	20	30		FDEDRO
N#Cc1ncn(CC[NH2+]Cc2ccc(I)s2)n1	ZINC000602656041	553619282	/nfs/dbraw/zinc/61/92/82/553619282.db2.gz	RKSGBHATZPPSMS-UHFFFAOYSA-N	1	0	359.196	1.606	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCCC[C@@H]1NS(C)(=O)=O	ZINC000602661700	553620008	/nfs/dbraw/zinc/62/00/08/553620008.db2.gz	KEDTZDVEYVCWRU-PMPSAXMXSA-N	1	0	357.520	1.783	20	30		FDEDRO
C[NH+](C)CCCOc1ccc(NC(=O)N2CCN(C(=O)CC#N)CC2)cc1	ZINC000602832843	553647262	/nfs/dbraw/zinc/64/72/62/553647262.db2.gz	RRPBKFZJGAXDSJ-UHFFFAOYSA-N	1	0	373.457	1.607	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CC[NH+](C[C@H]4CCc5ncnn54)CC3)n[nH]2)cc1	ZINC000602890382	553661567	/nfs/dbraw/zinc/66/15/67/553661567.db2.gz	XTMZEHVVEASXLL-QGZVFWFLSA-N	1	0	374.452	1.849	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000602899787	553664849	/nfs/dbraw/zinc/66/48/49/553664849.db2.gz	RBRIYUPVPZCTNF-SFHVURJKSA-N	1	0	371.485	1.785	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](N3CCO[C@@H](Cn4ccnn4)C3)C2=O)cc1	ZINC000602909320	553666198	/nfs/dbraw/zinc/66/61/98/553666198.db2.gz	STEAVLJKAHHEOX-QZTJIDSGSA-N	1	0	366.425	1.046	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1	ZINC000602924758	553670431	/nfs/dbraw/zinc/67/04/31/553670431.db2.gz	QRNUVYOHHKFJPX-NSISKUIASA-N	1	0	354.406	1.422	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@](COC)(C(=O)OC(C)(C)C)C1	ZINC000602959883	553680610	/nfs/dbraw/zinc/68/06/10/553680610.db2.gz	BPODYSCLSLQITH-ACJLOTCBSA-N	1	0	369.462	1.067	20	30		FDEDRO
C[C@@H]1CN(C(=O)N=c2ccn(C3CC[NH+](C)CC3)[nH]2)C[C@@H](C)N1CC#N	ZINC000602995591	553688350	/nfs/dbraw/zinc/68/83/50/553688350.db2.gz	GBPDYOIFXJMQNG-HUUCEWRRSA-N	1	0	359.478	1.600	20	30		FDEDRO
CN1CC[NH+](CC2(C)CCN(C(=O)Nc3ccnc(C#N)c3)CC2)CC1	ZINC000603134596	553713396	/nfs/dbraw/zinc/71/33/96/553713396.db2.gz	MAMPUQVMFLMXEJ-UHFFFAOYSA-N	1	0	356.474	1.835	20	30		FDEDRO
N#Cc1ccc(-c2cn(CC(=O)NC3CC[NH+](C4CC4)CC3)nn2)cc1	ZINC000603209734	553732868	/nfs/dbraw/zinc/73/28/68/553732868.db2.gz	AJADJXBOCBDBOS-UHFFFAOYSA-N	1	0	350.426	1.560	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)Cn2cc(-c3ccc(C#N)cc3)nn2)CC1	ZINC000603218838	553734986	/nfs/dbraw/zinc/73/49/86/553734986.db2.gz	QWAPGAFRVSTJCO-UHFFFAOYSA-N	1	0	352.442	1.806	20	30		FDEDRO
N#Cc1cncc(-c2cn(C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)nn2)c1	ZINC000603261741	553746708	/nfs/dbraw/zinc/74/67/08/553746708.db2.gz	UTLPOVUTLHVXFG-FQEVSTJZSA-N	1	0	360.421	1.849	20	30		FDEDRO
CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)c1cnc(C#N)cn1	ZINC000603402657	553780458	/nfs/dbraw/zinc/78/04/58/553780458.db2.gz	SDKRJIKLIGATDF-UHFFFAOYSA-N	1	0	364.409	1.012	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N(C)CCCC[NH+]1CCCCC1	ZINC000603417311	553782924	/nfs/dbraw/zinc/78/29/24/553782924.db2.gz	CTMODYIZEVXHIQ-UHFFFAOYSA-N	1	0	360.524	1.291	20	30		FDEDRO
N#Cc1cc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)ccc1[N+](=O)[O-]	ZINC000603422342	553784229	/nfs/dbraw/zinc/78/42/29/553784229.db2.gz	GKNHKBHJOCBMNY-KRWDZBQOSA-N	1	0	359.430	1.675	20	30		FDEDRO
C=CCCSCCNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000603436689	553788354	/nfs/dbraw/zinc/78/83/54/553788354.db2.gz	QADCKMYAPJPMJS-KRWDZBQOSA-N	1	0	370.563	1.392	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[N@H+](Cc2ccccc2C)CC1	ZINC000603603219	553805160	/nfs/dbraw/zinc/80/51/60/553805160.db2.gz	VSPOINVZJVGTGE-QGZVFWFLSA-N	1	0	358.486	1.903	20	30		FDEDRO
Cc1nn(C)c2nc(C)c(CC(=O)NC3(C#N)CC[NH+](C)CC3)c(C)c12	ZINC000603886822	553824720	/nfs/dbraw/zinc/82/47/20/553824720.db2.gz	DTQBHNJTEHDBRN-UHFFFAOYSA-N	1	0	354.458	1.540	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000603919467	553830054	/nfs/dbraw/zinc/83/00/54/553830054.db2.gz	JQYSOYDPIVANDR-IAGOWNOFSA-N	1	0	361.467	1.216	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)Cn1nc(-c2ccccc2)oc1=O	ZINC000604564675	553890272	/nfs/dbraw/zinc/89/02/72/553890272.db2.gz	WFBKJDSIIGMSBJ-UHFFFAOYSA-N	1	0	357.414	1.197	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC(C(N)=O)(c3ccccc3)CC2)CC1	ZINC000604652540	553899380	/nfs/dbraw/zinc/89/93/80/553899380.db2.gz	YMPJOEQTQARHQJ-UHFFFAOYSA-N	1	0	370.497	1.866	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCC[N@@H+](CC)C2CC2)cc1	ZINC000606092893	554043064	/nfs/dbraw/zinc/04/30/64/554043064.db2.gz	BKMKFBRBVFNTGJ-UHFFFAOYSA-N	1	0	373.457	1.533	20	30		FDEDRO
CS(=O)(=O)N1CCC[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1	ZINC000608861142	554325520	/nfs/dbraw/zinc/32/55/20/554325520.db2.gz	WYQXXCCDMZOQSX-INIZCTEOSA-N	1	0	351.472	1.883	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cc(C#N)ccc2OC)CC1=O	ZINC000609213770	554350060	/nfs/dbraw/zinc/35/00/60/554350060.db2.gz	ICMHCHXASPQGEE-JKSUJKDBSA-N	1	0	370.453	1.838	20	30		FDEDRO
CC[C@@](C)(C#N)NC(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C	ZINC000609447447	554377463	/nfs/dbraw/zinc/37/74/63/554377463.db2.gz	MTMYDYRMQVPVDJ-IBGZPJMESA-N	1	0	352.442	1.986	20	30		FDEDRO
CN(CCCN1CC[NH+](C)CC1)C(=O)c1cc2ccccc2n1CC#N	ZINC000609526142	554387231	/nfs/dbraw/zinc/38/72/31/554387231.db2.gz	YOUXVNXGJFSNPL-UHFFFAOYSA-N	1	0	353.470	1.874	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H]([NH2+]C[C@H]3CCCN3c3cccnn3)C2=O)cc1	ZINC000609599915	554399466	/nfs/dbraw/zinc/39/94/66/554399466.db2.gz	RYOZMWQYXZJDQZ-QZTJIDSGSA-N	1	0	362.437	1.712	20	30		FDEDRO
C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3ccc(C#N)cc3F)CC2)C1	ZINC000610085431	554458652	/nfs/dbraw/zinc/45/86/52/554458652.db2.gz	PPNBFYPEYNXJRS-HNNXBMFYSA-N	1	0	366.462	1.098	20	30		FDEDRO
CN(C)C(=O)CN1CCN(c2c(C#N)cnc3c(F)ccc(F)c32)CC1	ZINC000610245567	554477370	/nfs/dbraw/zinc/47/73/70/554477370.db2.gz	TYBQXGJQZVKZOT-UHFFFAOYSA-N	1	0	359.380	1.595	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC[N@@H+]1C	ZINC000610404716	554500585	/nfs/dbraw/zinc/50/05/85/554500585.db2.gz	ROWWMDFUNBKVHK-ZFWWWQNUSA-N	1	0	372.473	1.738	20	30		FDEDRO
N#Cc1ccc(CNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(F)c1	ZINC000610426204	554504237	/nfs/dbraw/zinc/50/42/37/554504237.db2.gz	HOYZGMLHMSRYJD-HXUWFJFHSA-N	1	0	353.397	1.951	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CC[NH+](C3CCOCC3)CC2)cc1	ZINC000610471982	554514589	/nfs/dbraw/zinc/51/45/89/554514589.db2.gz	XCAWNIOBDYRHPA-HXUWFJFHSA-N	1	0	368.481	1.850	20	30		FDEDRO
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC[N@H+](C[C@H]2CCCO2)CC1	ZINC000610582151	554534334	/nfs/dbraw/zinc/53/43/34/554534334.db2.gz	BNLCJCMFOFURPE-RTBURBONSA-N	1	0	357.454	1.959	20	30		FDEDRO
C[C@H](NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)c1cccc(C#N)c1	ZINC000610869928	554572651	/nfs/dbraw/zinc/57/26/51/554572651.db2.gz	CHDZWUBMFAWOLC-ZDUSSCGKSA-N	1	0	360.377	1.955	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2F)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000611209876	554615406	/nfs/dbraw/zinc/61/54/06/554615406.db2.gz	LJSBJWIARUPPEY-DNVCBOLYSA-N	1	0	373.476	1.865	20	30		FDEDRO
COC[C@@H]1CCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000611430098	554632834	/nfs/dbraw/zinc/63/28/34/554632834.db2.gz	ZJAYUXQVMUYOLJ-RBUKOAKNSA-N	1	0	374.460	1.645	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1	ZINC000612040603	554724373	/nfs/dbraw/zinc/72/43/73/554724373.db2.gz	MFWWQPIOFDRIBL-AVEIZBFRSA-N	1	0	365.518	1.851	20	30		FDEDRO
Cc1nc(NC(=O)CN(C)[C@H]2CCSC2)n(-c2ccc(C#N)cc2)n1	ZINC000612043736	554725331	/nfs/dbraw/zinc/72/53/31/554725331.db2.gz	BURJCVFWVFJXGZ-HNNXBMFYSA-N	1	0	356.455	1.245	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@@H]1CC[N@@H+](CCC)C1	ZINC000612550898	554805504	/nfs/dbraw/zinc/80/55/04/554805504.db2.gz	JWLWXFMSRXQTPL-QGZVFWFLSA-N	1	0	359.470	1.810	20	30		FDEDRO
C=CCCCCNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1	ZINC000612720515	554829784	/nfs/dbraw/zinc/82/97/84/554829784.db2.gz	MOXASFBKXGJWAQ-IBGZPJMESA-N	1	0	372.513	1.391	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1	ZINC000613310817	554911510	/nfs/dbraw/zinc/91/15/10/554911510.db2.gz	SBKCEYYOXSQPLS-UHFFFAOYSA-N	1	0	362.349	1.725	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[N@H+](CCO)C(C)(C)C1	ZINC000614895061	555133948	/nfs/dbraw/zinc/13/39/48/555133948.db2.gz	NQWFAANJOPGYTE-UHFFFAOYSA-N	1	0	361.490	1.261	20	30		FDEDRO
CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC2CCN(CC#N)CC2)cc1	ZINC000615911830	555251862	/nfs/dbraw/zinc/25/18/62/555251862.db2.gz	OSXGDBDRWLCPRS-UHFFFAOYSA-N	1	0	371.485	1.571	20	30		FDEDRO
C=CCCn1cc(C(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)nn1	ZINC000617696482	555483827	/nfs/dbraw/zinc/48/38/27/555483827.db2.gz	KHWKSJAZPNEQBP-KRWDZBQOSA-N	1	0	355.442	1.351	20	30		FDEDRO
C[NH+](C)CCOC1CCN(S(=O)(=O)c2cccc(CC#N)c2)CC1	ZINC000619486621	555786294	/nfs/dbraw/zinc/78/62/94/555786294.db2.gz	JTWIXNFESFXRCQ-UHFFFAOYSA-N	1	0	351.472	1.484	20	30		FDEDRO
CC(C)[C@@H](CNS(=O)(=O)c1ccccc1CC#N)N1CC[NH+](C)CC1	ZINC000619572658	555801135	/nfs/dbraw/zinc/80/11/35/555801135.db2.gz	OISKFYDQEQKTDV-QGZVFWFLSA-N	1	0	364.515	1.303	20	30		FDEDRO
C[C@H](C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1)n1cnc(C#N)n1	ZINC000619586974	555804623	/nfs/dbraw/zinc/80/46/23/555804623.db2.gz	NNVXPAOFQSNSNS-CQSZACIVSA-N	1	0	353.430	1.097	20	30		FDEDRO
Cc1nc(CN2CCC(CNC(=O)[C@@H](C)n3cnc(C#N)n3)CC2)oc1C	ZINC000619613058	555809307	/nfs/dbraw/zinc/80/93/07/555809307.db2.gz	VEJLWRKOPIFLRZ-CYBMUJFWSA-N	1	0	371.445	1.344	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+][C@]2(CO)CCOc3ccccc32)cc1	ZINC000619653861	555817687	/nfs/dbraw/zinc/81/76/87/555817687.db2.gz	KVZQQCPLLBEVHU-UWJYYQICSA-N	1	0	368.433	1.752	20	30		FDEDRO
C=C[C@@H](C(=O)OC)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1	ZINC000619719772	555825848	/nfs/dbraw/zinc/82/58/48/555825848.db2.gz	BSFCQVWIYHRJGC-KRWDZBQOSA-N	1	0	351.491	1.418	20	30		FDEDRO
C=C[C@H](C(=O)OC)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000619717052	555825941	/nfs/dbraw/zinc/82/59/41/555825941.db2.gz	OYTZREISRUAZHP-QZTJIDSGSA-N	1	0	358.486	1.643	20	30		FDEDRO
CN(CCCN1CC[NH+](C)CC1)C(=O)NCc1ccc(C#N)c(Cl)c1	ZINC000619827197	555841071	/nfs/dbraw/zinc/84/10/71/555841071.db2.gz	WQESUABQIMTEPD-UHFFFAOYSA-N	1	0	363.893	1.991	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@H](CO)C1)C(C)C	ZINC000621748996	556147919	/nfs/dbraw/zinc/14/79/19/556147919.db2.gz	PTYKQAJGJARTND-FGTMMUONSA-N	1	0	365.518	1.278	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c1	ZINC000624566925	556607202	/nfs/dbraw/zinc/60/72/02/556607202.db2.gz	RGFWSVDQVVQDFZ-INIZCTEOSA-N	1	0	365.499	1.754	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)N1CCC(CC)([NH+]2CCOCC2)CC1	ZINC000625357899	556782561	/nfs/dbraw/zinc/78/25/61/556782561.db2.gz	HORFZTIPFKYLBY-UHFFFAOYSA-N	1	0	351.491	1.514	20	30		FDEDRO
CC(C)[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)C[C@H]1CCC(=O)N1	ZINC000625472231	556817861	/nfs/dbraw/zinc/81/78/61/556817861.db2.gz	OTGRQSNKBDWLKF-OAHLLOKOSA-N	1	0	353.422	1.275	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1	ZINC000625847212	556938124	/nfs/dbraw/zinc/93/81/24/556938124.db2.gz	RADRQCZHMCWMNS-DZGCQCFKSA-N	1	0	366.487	1.755	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1	ZINC000627434780	557400708	/nfs/dbraw/zinc/40/07/08/557400708.db2.gz	SQBLQCWYJCHQQS-HOTGVXAUSA-N	1	0	351.491	1.450	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(CC)C2CC[NH+](C)CC2)cc1	ZINC000627621502	557459081	/nfs/dbraw/zinc/45/90/81/557459081.db2.gz	XKYZJNFSPRKCFV-UHFFFAOYSA-N	1	0	365.499	1.707	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(CC)([NH+]2CCOCC2)CC1	ZINC000629414745	557781887	/nfs/dbraw/zinc/78/18/87/557781887.db2.gz	SILLXLHBXFSYEQ-KRWDZBQOSA-N	1	0	351.491	1.561	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2COCCN2C)c(OC)c1	ZINC000629599608	557816231	/nfs/dbraw/zinc/81/62/31/557816231.db2.gz	JVYRCUYKPWPVAC-SJORKVTESA-N	1	0	350.459	1.084	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NCc2c(Br)cnn2C)CC1	ZINC000633041708	558248258	/nfs/dbraw/zinc/24/82/58/558248258.db2.gz	OWLHXRBEPNOOLZ-UHFFFAOYSA-N	1	0	356.268	1.632	20	30		FDEDRO
CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000291015177	567964415	/nfs/dbraw/zinc/96/44/15/567964415.db2.gz	SARUMUPAZKXUSH-MRXNPFEDSA-N	1	0	358.490	1.905	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(S(=O)(=O)c2cc(C#N)ccc2C)CC1	ZINC000481488963	567988121	/nfs/dbraw/zinc/98/81/21/567988121.db2.gz	FFUBWMRULZQLHN-UHFFFAOYSA-N	1	0	372.450	1.781	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000636832177	568122610	/nfs/dbraw/zinc/12/26/10/568122610.db2.gz	IYQYBVZPYFFBOP-JKSUJKDBSA-N	1	0	351.491	1.199	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1	ZINC000644844300	568216229	/nfs/dbraw/zinc/21/62/29/568216229.db2.gz	SCNGULIDBJYKNA-MSOLQXFVSA-N	1	0	365.518	1.663	20	30		FDEDRO
C#CCCOc1ccc(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1	ZINC000271982432	674402203	/nfs/dbraw/zinc/40/22/03/674402203.db2.gz	JSEOTLZSBRGPHM-HKUYNNGSSA-N	1	0	363.479	1.915	20	30		FDEDRO
C=CC[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccncc1	ZINC000735409803	599100408	/nfs/dbraw/zinc/10/04/08/599100408.db2.gz	LKFUPSAUXQRHHG-DOMZBBRYSA-N	1	0	351.418	1.407	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1	ZINC000272383781	674437286	/nfs/dbraw/zinc/43/72/86/674437286.db2.gz	CBCJFQGJQGJUQM-PBHICJAKSA-N	1	0	363.483	1.317	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CC1	ZINC000819698298	606686332	/nfs/dbraw/zinc/68/63/32/606686332.db2.gz	WFIXOTHYGSTVPO-UHFFFAOYSA-N	1	0	360.368	1.362	20	30		FDEDRO
C=C(C)[C@@H](CO)[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3ccccc32)CC1	ZINC000823873496	608383092	/nfs/dbraw/zinc/38/30/92/608383092.db2.gz	MXDVTXKOBGDQDQ-QGZVFWFLSA-N	1	0	365.441	1.474	20	30		FDEDRO
C#CC[C@H]([NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1ccccc1	ZINC000823838774	608519607	/nfs/dbraw/zinc/51/96/07/608519607.db2.gz	UMXQNSNVLSLTAD-SFHVURJKSA-N	1	0	360.421	1.837	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1	ZINC000824184736	608528775	/nfs/dbraw/zinc/52/87/75/608528775.db2.gz	JZWKNRMLFZUNFN-KRWDZBQOSA-N	1	0	353.430	1.500	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1	ZINC000825399374	608530584	/nfs/dbraw/zinc/53/05/84/608530584.db2.gz	RFWBFIKKJABVPT-ZDUSSCGKSA-N	1	0	353.430	1.454	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CC[N@H+](C)C2)cc1	ZINC000274881639	674596964	/nfs/dbraw/zinc/59/69/64/674596964.db2.gz	INJKGQFODLXMFB-CQSZACIVSA-N	1	0	366.487	1.566	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](c2nc(C)cs2)C2CC2)CC1	ZINC000286446335	675895730	/nfs/dbraw/zinc/89/57/30/675895730.db2.gz	HGKXTKGBAJRZNW-HNNXBMFYSA-N	1	0	362.499	1.785	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1	ZINC000286459988	675896089	/nfs/dbraw/zinc/89/60/89/675896089.db2.gz	JTPWJNOFJMZSAS-UHFFFAOYSA-N	1	0	362.499	1.450	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](CC)c2nc(C)cs2)CC1	ZINC000286508124	675896538	/nfs/dbraw/zinc/89/65/38/675896538.db2.gz	KTGBFFQNBZPFJA-CQSZACIVSA-N	1	0	350.488	1.785	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1	ZINC000277837105	675050354	/nfs/dbraw/zinc/05/03/54/675050354.db2.gz	RZIGWTGFRBNZPT-LZWOXQAQSA-N	1	0	358.360	1.933	20	30		FDEDRO
Cc1cc(S(=O)(=O)N(C)CCCN2CC[NH+](C)CC2)ccc1C#N	ZINC000277954349	675069498	/nfs/dbraw/zinc/06/94/98/675069498.db2.gz	KFGZWRABQKIAHQ-UHFFFAOYSA-N	1	0	350.488	1.125	20	30		FDEDRO
C[NH+]=C(NCCNS(=O)(=O)c1ccc(C)cc1)N1CCC[C@H](C)C1	ZINC000072876036	671397106	/nfs/dbraw/zinc/39/71/06/671397106.db2.gz	ZQNPYDRGKFJEPN-HNNXBMFYSA-N	1	0	352.504	1.581	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)c2nccs2)CC1	ZINC000286719940	675900643	/nfs/dbraw/zinc/90/06/43/675900643.db2.gz	QXGKAFXZMOFKPK-CYBMUJFWSA-N	1	0	350.488	1.520	20	30		FDEDRO
C=CCn1c(=O)c2ccc(C(=O)NCC[N@@H+](C)C(C)C)cc2[n-]c1=S	ZINC000101954879	671584827	/nfs/dbraw/zinc/58/48/27/671584827.db2.gz	OYGRSCFPSROTKQ-UHFFFAOYSA-N	1	0	360.483	1.941	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2cccc(NS(C)(=O)=O)c2)CC1	ZINC000106039243	671605035	/nfs/dbraw/zinc/60/50/35/671605035.db2.gz	SDPLASSQZZAGED-UHFFFAOYSA-N	1	0	351.472	1.828	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CSC[C@@H]2C(=O)N[C@@H](C)C(C)C)CC1	ZINC000113074806	671644842	/nfs/dbraw/zinc/64/48/42/671644842.db2.gz	PVSQPMYDQUOZDR-GOEBONIOSA-N	1	0	351.516	1.394	20	30		FDEDRO
C[C@H](ON=C(N)C[N@@H+]1CCCC[C@H]1C)C(=O)NCc1ccccc1F	ZINC000114630215	671650518	/nfs/dbraw/zinc/65/05/18/671650518.db2.gz	DEBKPPLTQWRTBM-KGLIPLIRSA-N	1	0	350.438	1.994	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)cc1	ZINC000120048375	671682936	/nfs/dbraw/zinc/68/29/36/671682936.db2.gz	QDFQJIMMNQEHPO-INIZCTEOSA-N	1	0	350.488	1.408	20	30		FDEDRO
C#CCCCNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-]	ZINC000172780146	672071843	/nfs/dbraw/zinc/07/18/43/672071843.db2.gz	JBKNRNGLMUEMRD-UHFFFAOYSA-N	1	0	354.432	1.260	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)cn1C	ZINC000181860790	672203088	/nfs/dbraw/zinc/20/30/88/672203088.db2.gz	OZVZYLDRDCKNTL-AWEZNQCLSA-N	1	0	369.487	1.166	20	30		FDEDRO
[NH2+]=C(NCc1ccc(N2CCCS2(=O)=O)cc1)N1CCSCC1	ZINC000185587761	672261974	/nfs/dbraw/zinc/26/19/74/672261974.db2.gz	MSJPSWMVDLGKBP-UHFFFAOYSA-N	1	0	354.501	1.090	20	30		FDEDRO
Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1cccc(CC#N)c1	ZINC000192962741	672361978	/nfs/dbraw/zinc/36/19/78/672361978.db2.gz	LLFAOMIXJAZUHE-UHFFFAOYSA-N	1	0	362.455	1.895	20	30		FDEDRO
C[C@@H]1CN(C[C@H]2CCCN2S(=O)(=O)c2ccc(C#N)cc2)C[C@H](C)O1	ZINC000195662113	672408668	/nfs/dbraw/zinc/40/86/68/672408668.db2.gz	QTEGICJDCPGGAL-HLLBOEOZSA-N	1	0	363.483	1.821	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N(C)CC[C@H]([NH3+])C(C)C)ccc1F	ZINC000236775125	672418579	/nfs/dbraw/zinc/41/85/79/672418579.db2.gz	BOTPCRLBNBYGPI-HNNXBMFYSA-N	1	0	371.478	1.735	20	30		FDEDRO
CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2([NH3+])CC2)cc1	ZINC000237071506	672420310	/nfs/dbraw/zinc/42/03/10/672420310.db2.gz	PLCQQHTUVFIIBW-HMMYKYKNSA-N	1	0	364.471	1.709	20	30		FDEDRO
CC[NH+]=C(NCc1ccccc1F)NCC1CCN(S(C)(=O)=O)CC1	ZINC000261680460	672649565	/nfs/dbraw/zinc/64/95/65/672649565.db2.gz	QKBHMGCXQXTQQZ-UHFFFAOYSA-N	1	0	370.494	1.552	20	30		FDEDRO
C[NH+]=C(NCc1cn2cc(Cl)ccc2n1)N1CCC[C@@H](CC(N)=O)C1	ZINC000261707943	672656225	/nfs/dbraw/zinc/65/62/25/672656225.db2.gz	GVXATLUGRVACHB-LBPRGKRZSA-N	1	0	362.865	1.651	20	30		FDEDRO
CCN(CC)C(=[NH2+])NCC(=O)Nc1ccc(I)cc1	ZINC000261914106	672693162	/nfs/dbraw/zinc/69/31/62/672693162.db2.gz	YXJCVBZFAPREFK-UHFFFAOYSA-N	1	0	374.226	1.886	20	30		FDEDRO
CC[C@@H](C)NC(=[NH2+])NCC(=O)Nc1ccc(I)cc1	ZINC000261914117	672693234	/nfs/dbraw/zinc/69/32/34/672693234.db2.gz	YXOZDVCHEQPYEY-SECBINFHSA-N	1	0	374.226	1.933	20	30		FDEDRO
CC[C@H]1CN(C(NCC2CCN(S(C)(=O)=O)CC2)=[NH+]C)CCS1	ZINC000261917215	672693645	/nfs/dbraw/zinc/69/36/45/672693645.db2.gz	JXQKQROZOYBLQH-AWEZNQCLSA-N	1	0	362.565	1.061	20	30		FDEDRO
C[NH+]=C(NCc1c(C)noc1C)NCc1ccc(NS(C)(=O)=O)cc1	ZINC000261919545	672693968	/nfs/dbraw/zinc/69/39/68/672693968.db2.gz	KFFYAKRNZGBBBV-UHFFFAOYSA-N	1	0	365.459	1.528	20	30		FDEDRO
C[NH+]=C(NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)N1CC[C@]2(CCOC2)C1	ZINC000261942045	672698392	/nfs/dbraw/zinc/69/83/92/672698392.db2.gz	DRYHYCUETTVKAG-FCEWJHQRSA-N	1	0	352.523	1.562	20	30		FDEDRO
CC[NH+]=C(NCCc1ccncc1C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261951683	672700442	/nfs/dbraw/zinc/70/04/42/672700442.db2.gz	HQJGMDDMCXZXPY-UHFFFAOYSA-N	1	0	352.504	1.407	20	30		FDEDRO
C[NH+]=C(NC[C@@H]1CCCO[C@@H]1C(C)(C)C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261966680	672703979	/nfs/dbraw/zinc/70/39/79/672703979.db2.gz	LQSPFNHXQBLHMW-GJZGRUSLSA-N	1	0	373.563	1.912	20	30		FDEDRO
CCC(=O)N1CC[C@H](NC(NCCN2CCc3sccc3C2)=[NH+]C)C1	ZINC000261969758	672704333	/nfs/dbraw/zinc/70/43/33/672704333.db2.gz	MMFJRWQCIBSWCQ-HNNXBMFYSA-N	1	0	363.531	1.282	20	30		FDEDRO
C[NH+]=C(NCc1c(C)noc1C)NCc1cccc(NS(C)(=O)=O)c1	ZINC000261976450	672705354	/nfs/dbraw/zinc/70/53/54/672705354.db2.gz	QVIUMOXXGUVIHW-UHFFFAOYSA-N	1	0	365.459	1.528	20	30		FDEDRO
C[NH+]=C(NCCN1CCOC[C@H]1C)N1CCN(c2cccs2)CC1	ZINC000261978221	672705752	/nfs/dbraw/zinc/70/57/52/672705752.db2.gz	OEVAKPNGXBKBEI-OAHLLOKOSA-N	1	0	351.520	1.166	20	30		FDEDRO
CC[NH+]=C(NCCc1sc(C)nc1C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261984192	672706954	/nfs/dbraw/zinc/70/69/54/672706954.db2.gz	PPXXJIUWIVCUPY-UHFFFAOYSA-N	1	0	372.560	1.777	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261989940	672707429	/nfs/dbraw/zinc/70/74/29/672707429.db2.gz	RALOGQDQBQJQQB-BFHYXJOUSA-N	1	0	357.520	1.274	20	30		FDEDRO
C[NH+]=C(NC[C@H](C)N1CCC(C)CC1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000262019330	672712677	/nfs/dbraw/zinc/71/26/77/672712677.db2.gz	YMEVEZZAWFUCNM-HNNXBMFYSA-N	1	0	358.552	1.191	20	30		FDEDRO
C[NH+]=C(NCc1cn2cc(Cl)ccc2n1)NC1CCN(C(C)=O)CC1	ZINC000262293998	672763512	/nfs/dbraw/zinc/76/35/12/672763512.db2.gz	YFFXNFGLEHJNGW-UHFFFAOYSA-N	1	0	362.865	1.664	20	30		FDEDRO
C[NH+]=C(NCc1nc(C)c(C)s1)N1CC[C@H](CN2CCOCC2)C1	ZINC000262328949	672771143	/nfs/dbraw/zinc/77/11/43/672771143.db2.gz	AMDXWTAELBUOBK-OAHLLOKOSA-N	1	0	351.520	1.489	20	30		FDEDRO
CC[NH+]=C(NC[C@]1(O)CCSC1)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1	ZINC000262333392	672772123	/nfs/dbraw/zinc/77/21/23/672772123.db2.gz	BIYGLQSCEKCJMH-JJRVBVJISA-N	1	0	356.536	1.057	20	30		FDEDRO
C[C@@H](NC(N[C@H]1CCC(=O)N(C)C1)=[NH+]CC(=O)N(C)C)c1cccs1	ZINC000262337085	672772864	/nfs/dbraw/zinc/77/28/64/672772864.db2.gz	WKANRMRMGQKFMK-OLZOCXBDSA-N	1	0	365.503	1.053	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N[C@@H]1CCOc2ccc(F)cc21	ZINC000262355719	672775957	/nfs/dbraw/zinc/77/59/57/672775957.db2.gz	FVWRKFQERZXQRV-BXUZGUMPSA-N	1	0	355.435	1.249	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(NC2CCCCC2)=[NH+]CC2CCOCC2)C1	ZINC000262366528	672777281	/nfs/dbraw/zinc/77/72/81/672777281.db2.gz	HUICTVGNDFWKAS-MRXNPFEDSA-N	1	0	371.547	1.716	20	30		FDEDRO
C[NH+]=C(NC[C@]1(O)CCSC1)N1CCN(Cc2cccs2)CC1	ZINC000262371970	672778455	/nfs/dbraw/zinc/77/84/55/672778455.db2.gz	ITTGYODPDMIFRG-MRXNPFEDSA-N	1	0	354.545	1.309	20	30		FDEDRO
C[C@]1(CNC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)CCCC[C@H]1O	ZINC000262401806	672783358	/nfs/dbraw/zinc/78/33/58/672783358.db2.gz	NXSRPIFXLOEVLF-YSVLISHTSA-N	1	0	357.520	1.060	20	30		FDEDRO
O=S1(=O)CC[C@@H](CNC(NC2CCOCC2)=[NH+]C2CCCCC2)C1	ZINC000262417876	672786269	/nfs/dbraw/zinc/78/62/69/672786269.db2.gz	QLVFIGSFVUGRNH-AWEZNQCLSA-N	1	0	357.520	1.468	20	30		FDEDRO
C=C(C)CNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CC[C@H]([C@@H]2CCOC2)C1	ZINC000262422721	672786931	/nfs/dbraw/zinc/78/69/31/672786931.db2.gz	RDGAXPFLOUEDIG-YESZJQIVSA-N	1	0	369.531	1.301	20	30		FDEDRO
CC[C@]1(C)CCN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C[C@@H]2CCCO2)C1	ZINC000262426166	672787640	/nfs/dbraw/zinc/78/76/40/672787640.db2.gz	RQYDLEPAISLLTO-XYJFISCASA-N	1	0	371.547	1.668	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCOC2(CCCCC2)C1	ZINC000262432719	672788474	/nfs/dbraw/zinc/78/84/74/672788474.db2.gz	SRPGBWPMRXRDEE-HOTGVXAUSA-N	1	0	371.547	1.858	20	30		FDEDRO
C[C@@H]1CCC[C@H]([NH+]=C(NC[C@H]2CCCO2)NC[C@@H]2CCS(=O)(=O)C2)C1	ZINC000262432686	672788554	/nfs/dbraw/zinc/78/85/54/672788554.db2.gz	SQWOQNODGPHBND-LTIDMASMSA-N	1	0	371.547	1.714	20	30		FDEDRO
C[NH+]=C(NCCN1CCCS1(=O)=O)N1CC[C@H](c2ccccc2C)C1	ZINC000262441934	672790226	/nfs/dbraw/zinc/79/02/26/672790226.db2.gz	HTGYHIOOSCHTRF-INIZCTEOSA-N	1	0	364.515	1.395	20	30		FDEDRO
C=C(C)CNC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	ZINC000262454669	672792621	/nfs/dbraw/zinc/79/26/21/672792621.db2.gz	WOQBAZJJXRTZEI-JONQDZQNSA-N	1	0	369.531	1.346	20	30		FDEDRO
C[C@H]1CN(C(=[NH2+])NCc2ccccc2S(=O)(=O)NC(C)(C)C)CCO1	ZINC000262457826	672793126	/nfs/dbraw/zinc/79/31/26/672793126.db2.gz	LRCIGZUKBXZCNB-ZDUSSCGKSA-N	1	0	368.503	1.299	20	30		FDEDRO
C[C@@H]1CCCN(C(=[NH2+])NCC2CCN(S(=O)(=O)C(F)F)CC2)C1	ZINC000262513864	672801795	/nfs/dbraw/zinc/80/17/95/672801795.db2.gz	FLXYRWLVSHRNPT-LLVKDONJSA-N	1	0	352.451	1.297	20	30		FDEDRO
CC(C)(C)[S@](=O)CCNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1	ZINC000262516029	672802202	/nfs/dbraw/zinc/80/22/02/672802202.db2.gz	GJSRDTUIEIZDKN-XMMPIXPASA-N	1	0	354.495	1.810	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(NCc2ccc(Cl)cc2)=[NH+]C2CC2)C1	ZINC000262531155	672803883	/nfs/dbraw/zinc/80/38/83/672803883.db2.gz	IJNRJIPLHKZFSI-CYBMUJFWSA-N	1	0	355.891	1.972	20	30		FDEDRO
CN(CC(C)(C)C[NH3+])S(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000262763530	672844531	/nfs/dbraw/zinc/84/45/31/672844531.db2.gz	SILKHXIMJAAAJL-UHFFFAOYSA-N	1	0	360.277	1.926	20	30		FDEDRO
CC[NH+]=C(NCCN1CCSCC1)N1CCC[C@]2(CCCOC2)C1	ZINC000262767347	672845705	/nfs/dbraw/zinc/84/57/05/672845705.db2.gz	GMCOLLPBRJTMPN-SFHVURJKSA-N	1	0	354.564	1.893	20	30		FDEDRO
CC[NH+]=C(NC[C@]1(N(C)C)CCSC1)N1CCN(C(=O)C(C)C)CC1	ZINC000262816098	672851051	/nfs/dbraw/zinc/85/10/51/672851051.db2.gz	VQINNHBQBVFWOE-GOSISDBHSA-N	1	0	369.579	1.189	20	30		FDEDRO
[NH2+]=C(NC[C@H]1CSc2ccccc21)N1CCN(c2ncccn2)CC1	ZINC000263168762	672865113	/nfs/dbraw/zinc/86/51/13/672865113.db2.gz	RPZWDCFHKWPEMM-AWEZNQCLSA-N	1	0	354.483	1.803	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)CC1	ZINC000264206378	672904074	/nfs/dbraw/zinc/90/40/74/672904074.db2.gz	VRZCRDFJAZWQRB-CQSZACIVSA-N	1	0	363.483	1.199	20	30		FDEDRO
C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000289168480	676101158	/nfs/dbraw/zinc/10/11/58/676101158.db2.gz	MIDPKUPIDRMWPQ-OAHLLOKOSA-N	1	0	350.488	1.004	20	30		FDEDRO
Cc1cc(Br)ccc1CNC(=[NH2+])NCCCN1CCOCC1	ZINC000267456752	673305996	/nfs/dbraw/zinc/30/59/96/673305996.db2.gz	TYIUBKZMHRNREN-UHFFFAOYSA-N	1	0	369.307	1.884	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2csc([C@@H](C)OC)n2)CC1	ZINC000267657301	673318353	/nfs/dbraw/zinc/31/83/53/673318353.db2.gz	MERDVJMZMKOJNA-LLVKDONJSA-N	1	0	369.491	1.876	20	30		FDEDRO
C#CCCOc1ccc(CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1	ZINC000289530996	676149214	/nfs/dbraw/zinc/14/92/14/676149214.db2.gz	PXZDCIRRGOUGNZ-GOSISDBHSA-N	1	0	350.484	1.945	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NCC1CC[NH+](Cc2cccs2)CC1	ZINC000282785773	675640594	/nfs/dbraw/zinc/64/05/94/675640594.db2.gz	XHIXHAFQGLNIPQ-CQSZACIVSA-N	1	0	370.544	1.886	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NCc1ccccc1C[NH+]1CCCC1	ZINC000282980969	675645504	/nfs/dbraw/zinc/64/55/04/675645504.db2.gz	XJMQEXMMANSBSN-HNNXBMFYSA-N	1	0	350.488	1.708	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000282980602	675645506	/nfs/dbraw/zinc/64/55/06/675645506.db2.gz	MAIYEABELSSCQB-HNNXBMFYSA-N	1	0	363.487	1.401	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NCCc1ccc(OCC[NH+](C)C)cc1	ZINC000283029799	675647447	/nfs/dbraw/zinc/64/74/47/675647447.db2.gz	QDUMBCIZALPONW-OAHLLOKOSA-N	1	0	368.503	1.238	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000283057697	675647764	/nfs/dbraw/zinc/64/77/64/675647764.db2.gz	STZMHEQHNUIGHV-WBVHZDCISA-N	1	0	350.488	1.719	20	30		FDEDRO
CN1CC[NH+]=C1NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1	ZINC000284939732	675768496	/nfs/dbraw/zinc/76/84/96/675768496.db2.gz	DAYZITSTZLIPIM-UHFFFAOYSA-N	1	0	354.451	1.260	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)NCC(=O)NCC(F)(F)F)C(C)C	ZINC000298986608	676509548	/nfs/dbraw/zinc/50/95/48/676509548.db2.gz	HWWYKTJZXXHVNJ-CYBMUJFWSA-N	1	0	364.412	1.663	20	30		FDEDRO
[NH2+]=C(NCCCSc1ccc(F)cc1)NCCCN1CCOCC1	ZINC000303770725	676542842	/nfs/dbraw/zinc/54/28/42/676542842.db2.gz	CBPMIKZNTHOYSQ-UHFFFAOYSA-N	1	0	354.495	1.935	20	30		FDEDRO
Cc1ccc(CSCCNC(=[NH2+])NCCCN2CCOCC2)cc1	ZINC000303772937	676542862	/nfs/dbraw/zinc/54/28/62/676542862.db2.gz	DXDBDYAQVBAUHX-UHFFFAOYSA-N	1	0	350.532	1.855	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](O)c2ccccc2Cl)CC1	ZINC000304759494	676544534	/nfs/dbraw/zinc/54/45/34/676544534.db2.gz	RGSXJXFUYUYDOR-OAHLLOKOSA-N	1	0	368.865	1.899	20	30		FDEDRO
Cc1nc(N2CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CC2)sc1C	ZINC000328692394	676602505	/nfs/dbraw/zinc/60/25/05/676602505.db2.gz	RQABEOJVBWGGML-OAHLLOKOSA-N	1	0	366.535	1.042	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CCC(=O)NC12CCC2	ZINC000328714231	676603729	/nfs/dbraw/zinc/60/37/29/676603729.db2.gz	CGKDEGRXISVBOU-ZIAGYGMSSA-N	1	0	352.479	1.719	20	30		FDEDRO
C[C@H](CNC(=O)N[C@@H]1CCC(=O)NC12CCC2)C[NH+]1CCN(C)CC1	ZINC000328734976	676604695	/nfs/dbraw/zinc/60/46/95/676604695.db2.gz	ISQYQANIIDTFND-HUUCEWRRSA-N	1	0	351.495	1.415	20	30		FDEDRO
O=C(N[C@@H]1CCCC12CCOCC2)N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000328778575	676606526	/nfs/dbraw/zinc/60/65/26/676606526.db2.gz	GHSJMMTYZDGKAS-DLBZAZTESA-N	1	0	351.491	1.904	20	30		FDEDRO
C[C@H](NC(=O)CN1CC[C@]2(C1)CCC[N@H+](C)C2)C(=O)N1CCCCC1	ZINC000328800076	676607441	/nfs/dbraw/zinc/60/74/41/676607441.db2.gz	YCYZMJUNGJNBHS-QFBILLFUSA-N	1	0	350.507	1.762	20	30		FDEDRO
O=C(N[C@@H]1CCO[C@H]1C1CC1)N1CCC(CC[NH+]2CCOCC2)CC1	ZINC000328837307	676608903	/nfs/dbraw/zinc/60/89/03/676608903.db2.gz	NFQLKACXLYKJBB-MSOLQXFVSA-N	1	0	351.491	1.902	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCO[C@@H]3C3CC3)CC2)CC1	ZINC000328841965	676609149	/nfs/dbraw/zinc/60/91/49/676609149.db2.gz	PXFFAGFADYWLLF-QZTJIDSGSA-N	1	0	350.507	1.616	20	30		FDEDRO
C[C@H](CNC(=O)N1CCN(Cc2cscn2)CC1)C[NH+]1CCCC1	ZINC000328847159	676609298	/nfs/dbraw/zinc/60/92/98/676609298.db2.gz	XXWBCPYKSUSILD-OAHLLOKOSA-N	1	0	351.520	1.907	20	30		FDEDRO
C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C[C@H]1C(N)=O	ZINC000329052276	676617705	/nfs/dbraw/zinc/61/77/05/676617705.db2.gz	LETMJBFOGWGBRV-MIGQKNRLSA-N	1	0	352.479	1.771	20	30		FDEDRO
CC(C)(CNC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)C[NH+]1CCCC1	ZINC000329195382	676624457	/nfs/dbraw/zinc/62/44/57/676624457.db2.gz	SINSLPPXKLSLGQ-GVDBMIGSSA-N	1	0	353.507	1.884	20	30		FDEDRO
Cc1ncsc1CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000329202880	676625056	/nfs/dbraw/zinc/62/50/56/676625056.db2.gz	XDOAWFHAZMFRDU-UHFFFAOYSA-N	1	0	351.476	1.106	20	30		FDEDRO
CCC(=O)N1CC[C@@H](NC(=O)N2C[C@@H](OC)C[C@H]2C[NH+]2CCCC2)C1	ZINC000329203289	676625101	/nfs/dbraw/zinc/62/51/01/676625101.db2.gz	WFRGNCHYOSNBCE-PMPSAXMXSA-N	1	0	352.479	1.096	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC[N@@H+]1C	ZINC000329225723	676626735	/nfs/dbraw/zinc/62/67/35/676626735.db2.gz	GQLNEBKLHOZGCE-BZUAXINKSA-N	1	0	351.495	1.653	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C	ZINC000329244709	676628229	/nfs/dbraw/zinc/62/82/29/676628229.db2.gz	USSDTAGKJZECCC-IIAWOOMASA-N	1	0	353.511	1.660	20	30		FDEDRO
CO[C@@H]1CCC[C@@H]1CNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000329279626	676630495	/nfs/dbraw/zinc/63/04/95/676630495.db2.gz	JYHSIYRANVYSPP-CRAIPNDOSA-N	1	0	352.523	1.864	20	30		FDEDRO
O=C(N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)[C@H](C1CC1)[NH+]1CCCC1	ZINC000329296812	676631746	/nfs/dbraw/zinc/63/17/46/676631746.db2.gz	TUANRWYDYGHDPY-ZBFHGGJFSA-N	1	0	355.504	1.774	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCOC[C@@H]2c2ncnn2C)C1	ZINC000329421086	676637842	/nfs/dbraw/zinc/63/78/42/676637842.db2.gz	HATNYYMPFKJMGZ-HUUCEWRRSA-N	1	0	350.467	1.223	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)NC[C@@H]2CCCN2C)c2ccsc2S1(=O)=O	ZINC000329539606	676643303	/nfs/dbraw/zinc/64/33/03/676643303.db2.gz	CMQXIQPIZHOOAZ-GVXVVHGQSA-N	1	0	357.501	1.953	20	30		FDEDRO
O=C(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)N1CCOCC1	ZINC000329551805	676643691	/nfs/dbraw/zinc/64/36/91/676643691.db2.gz	PNEMCZDGJJJZPG-UHFFFAOYSA-N	1	0	351.422	1.915	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)[C@@]12CCCO2	ZINC000329590494	676645534	/nfs/dbraw/zinc/64/55/34/676645534.db2.gz	TUTVAXRCAYMJMB-JFBPSJKJSA-N	1	0	355.479	1.014	20	30		FDEDRO
CS[C@@H]1CN(CC(=O)NCC(=O)N2CCCC2)C[C@@H]1[NH+]1CCCC1	ZINC000329601064	676645890	/nfs/dbraw/zinc/64/58/90/676645890.db2.gz	KLGWMNKHIIQYOP-LSDHHAIUSA-N	1	0	354.520	1.077	20	30		FDEDRO
Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000329655902	676647957	/nfs/dbraw/zinc/64/79/57/676647957.db2.gz	MHPKTECMOGXCRG-ZKYQVNSYSA-N	1	0	371.507	1.143	20	30		FDEDRO
C[NH+]1CCC([C@@H]2CCN(C(=O)NC[C@H]3CCCCS3(=O)=O)C2)CC1	ZINC000329663765	676648270	/nfs/dbraw/zinc/64/82/70/676648270.db2.gz	QCXDUONJLNSKEW-HZPDHXFCSA-N	1	0	357.520	1.531	20	30		FDEDRO
CN1CCN(CC(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1=O	ZINC000329686698	676649290	/nfs/dbraw/zinc/64/92/90/676649290.db2.gz	FTBFEUDKKFJGIU-UHFFFAOYSA-N	1	0	354.520	1.079	20	30		FDEDRO
O=C(NC[C@H]1CCCS(=O)(=O)C1)N1CCC[C@H]1C[NH+]1CCCCC1	ZINC000329695356	676649757	/nfs/dbraw/zinc/64/97/57/676649757.db2.gz	DADOVBGLWVHPLZ-CVEARBPZSA-N	1	0	357.520	1.676	20	30		FDEDRO
CN1CC[NH+](CC2(C)CCN(C(=O)NCCc3cscn3)CC2)CC1	ZINC000329727504	676651936	/nfs/dbraw/zinc/65/19/36/676651936.db2.gz	CJNSDZIBIVXWHZ-UHFFFAOYSA-N	1	0	365.547	1.949	20	30		FDEDRO
CC1(C)[C@H](NC(=O)N2CCC[C@@H]2CN2CCOCC2)[C@@H]2CCCO[C@H]21	ZINC000329799265	676657176	/nfs/dbraw/zinc/65/71/76/676657176.db2.gz	HILMFLXWAGJBKX-YYIAUSFCSA-N	1	0	351.491	1.901	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)C1	ZINC000329828093	676659657	/nfs/dbraw/zinc/65/96/57/676659657.db2.gz	RSESZAXWLKJBCZ-IXDOHACOSA-N	1	0	371.547	1.920	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)C1	ZINC000329836825	676660014	/nfs/dbraw/zinc/66/00/14/676660014.db2.gz	VHHHFGFZNZSLAI-HRCADAONSA-N	1	0	359.536	1.776	20	30		FDEDRO
CC(C)c1nnc([C@@H]2CN(C(=O)NC[C@H](C)[N@H+](C)C3CC3)CCO2)o1	ZINC000329900969	676663175	/nfs/dbraw/zinc/66/31/75/676663175.db2.gz	GMSZLIYAHMAMGF-JSGCOSHPSA-N	1	0	351.451	1.963	20	30		FDEDRO
CC(C)c1nnc([C@@H]2CN(C(=O)NC[C@@H](C)[N@H+](C)C3CC3)CCO2)o1	ZINC000329900971	676663242	/nfs/dbraw/zinc/66/32/42/676663242.db2.gz	GMSZLIYAHMAMGF-OCCSQVGLSA-N	1	0	351.451	1.963	20	30		FDEDRO
CN(C[C@@H]1C[C@H](F)CN1c1ccncn1)C(=O)NC1CC[NH+](C)CC1	ZINC000329969350	676666164	/nfs/dbraw/zinc/66/61/64/676666164.db2.gz	XHHGETONVDDBPY-ZFWWWQNUSA-N	1	0	350.442	1.333	20	30		FDEDRO
C[NH+](C)[C@@]1(CNC(=O)N2CCN(C(=O)C(C)(C)C)CC2)CCSC1	ZINC000330055657	676670703	/nfs/dbraw/zinc/67/07/03/676670703.db2.gz	URWQTVSFMAHLDZ-QGZVFWFLSA-N	1	0	356.536	1.528	20	30		FDEDRO
CC(=O)N1CCN(CCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1	ZINC000330073052	676671266	/nfs/dbraw/zinc/67/12/66/676671266.db2.gz	KECFEMAVJHIZDP-KRWDZBQOSA-N	1	0	350.507	1.762	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)N2CCS(=O)(=O)c3ccccc3C2)CC[N@@H+]1C	ZINC000330095421	676672420	/nfs/dbraw/zinc/67/24/20/676672420.db2.gz	VKZBPMXFJAXDJT-HIFRSBDPSA-N	1	0	351.472	1.673	20	30		FDEDRO
CS(=O)(=O)CC1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1	ZINC000330198339	676677939	/nfs/dbraw/zinc/67/79/39/676677939.db2.gz	TWUGILJMCOTWSP-UHFFFAOYSA-N	1	0	357.520	1.531	20	30		FDEDRO
CC(=O)N1CCN(C(=O)CCNC(=O)CC[C@@H]2CCCC[N@H+]2C)CC1	ZINC000330312832	676683615	/nfs/dbraw/zinc/68/36/15/676683615.db2.gz	WTIYPVXIKNVZRS-INIZCTEOSA-N	1	0	352.479	1.288	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000330380481	676687260	/nfs/dbraw/zinc/68/72/60/676687260.db2.gz	UQHMVTNNWZSRCB-RYRKJORJSA-N	1	0	364.515	1.823	20	30		FDEDRO
COC(=O)[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CCO1	ZINC000330589787	676697485	/nfs/dbraw/zinc/69/74/85/676697485.db2.gz	PPZZOALCMMNROZ-KFWWJZLASA-N	1	0	355.479	1.531	20	30		FDEDRO
Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000330699577	676701198	/nfs/dbraw/zinc/70/11/98/676701198.db2.gz	HRAZAIYWIRRFRQ-GRYCIOLGSA-N	1	0	357.476	1.906	20	30		FDEDRO
CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCO[C@@H](C(=O)OC)C2)C1	ZINC000330741793	676702703	/nfs/dbraw/zinc/70/27/03/676702703.db2.gz	PRUGAOUDNLZEAQ-HUUCEWRRSA-N	1	0	355.479	1.675	20	30		FDEDRO
C[C@@H](CCNC(=O)N1CCC(N(C)S(C)(=O)=O)CC1)[NH+]1CCCCC1	ZINC000330817621	676705200	/nfs/dbraw/zinc/70/52/00/676705200.db2.gz	MGRRQJWPDFOWHI-HNNXBMFYSA-N	1	0	374.551	1.521	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC[N@@H+]1C	ZINC000330914507	676710222	/nfs/dbraw/zinc/71/02/22/676710222.db2.gz	SRISVSNUTYRZRH-ZFWWWQNUSA-N	1	0	364.471	1.091	20	30		FDEDRO
COCCC(=O)N1CCC(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1	ZINC000331160548	676719296	/nfs/dbraw/zinc/71/92/96/676719296.db2.gz	RAURGJKODVULBL-HNNXBMFYSA-N	1	0	354.495	1.202	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCCCN2CCCCC2=O)CC[N@@H+]1CC(C)(C)O	ZINC000331220785	676722612	/nfs/dbraw/zinc/72/26/12/676722612.db2.gz	JOHYISSQBMJWSH-OAHLLOKOSA-N	1	0	354.495	1.080	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCCC[C@H]1CN1CCOCC1	ZINC000331267621	676724798	/nfs/dbraw/zinc/72/47/98/676724798.db2.gz	JQIACFIGMWEVSU-ZIFCJYIRSA-N	1	0	350.507	1.616	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)Nc2ccccc2C[S@](C)=O)CC1(C)C	ZINC000331271924	676725040	/nfs/dbraw/zinc/72/50/40/676725040.db2.gz	NRBOXQHBPZWZBT-VWLOTQADSA-N	1	0	366.531	1.917	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)Nc2ccc([S@@](C)=O)cc2)CC1(C)C	ZINC000331283836	676725580	/nfs/dbraw/zinc/72/55/80/676725580.db2.gz	WSFDTFYGSMYBJF-XMMPIXPASA-N	1	0	352.504	1.776	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@H]1C	ZINC000331301333	676726518	/nfs/dbraw/zinc/72/65/18/676726518.db2.gz	WPELSCMJOVZINL-OCCSQVGLSA-N	1	0	354.476	1.684	20	30		FDEDRO
C[N@H+](CC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)[C@H]1CCSC1	ZINC000331839592	676734539	/nfs/dbraw/zinc/73/45/39/676734539.db2.gz	AJHBTHMXXNICQN-ROUUACIJSA-N	1	0	358.511	1.660	20	30		FDEDRO
CC(C)[C@H]1CCc2c(C#N)c(NC(=O)C(=O)N3CC[C@@H]([NH3+])C3)sc2C1	ZINC000331868560	676735347	/nfs/dbraw/zinc/73/53/47/676735347.db2.gz	XXWJFXCQYGOXQN-NWDGAFQWSA-N	1	0	360.483	1.879	20	30		FDEDRO
CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)c1	ZINC000361033874	676881972	/nfs/dbraw/zinc/88/19/72/676881972.db2.gz	VECSMZWXAPWRGX-SPUZQDLCSA-N	1	0	363.483	1.924	20	30		FDEDRO
CO[C@@H]1CCN(C(=O)NCCSCc2ccccc2C#N)[C@@H](C[NH3+])C1	ZINC000416874610	679727664	/nfs/dbraw/zinc/72/76/64/679727664.db2.gz	UDIUFOGUNRMAPL-IAGOWNOFSA-N	1	0	362.499	1.939	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000362388742	676916842	/nfs/dbraw/zinc/91/68/42/676916842.db2.gz	ITNCJDXDBTYSMM-HOTGVXAUSA-N	1	0	363.483	1.508	20	30		FDEDRO
C[N@@H+]1CCC[C@@H](N2CCN(CCC(=O)Nc3sccc3C#N)CC2)C1	ZINC000362944128	676927944	/nfs/dbraw/zinc/92/79/44/676927944.db2.gz	XEQUSRLCFXRRKT-MRXNPFEDSA-N	1	0	361.515	1.660	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1Cl	ZINC000363107908	676935479	/nfs/dbraw/zinc/93/54/79/676935479.db2.gz	OABDMCSEFUOPJX-ZIAGYGMSSA-N	1	0	362.817	1.130	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH+]1CCC(Cn2cc(Br)cn2)CC1	ZINC000364914296	677063383	/nfs/dbraw/zinc/06/33/83/677063383.db2.gz	NHJHPZOJWXQSMJ-LBPRGKRZSA-N	1	0	353.264	1.496	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](COC)CC2)CC1	ZINC000422302298	680706277	/nfs/dbraw/zinc/70/62/77/680706277.db2.gz	XUKMGPJJVSJNRV-MRXNPFEDSA-N	1	0	351.491	1.418	20	30		FDEDRO
CN1CC[NH+](C[C@@H]2CCCN(CC(=O)Nc3sccc3C#N)C2)CC1	ZINC000367109091	677486713	/nfs/dbraw/zinc/48/67/13/677486713.db2.gz	HJOHYCCKPDMHKB-HNNXBMFYSA-N	1	0	361.515	1.518	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC1CCC([NH+]2CCC(C)CC2)CC1	ZINC000369107285	677503114	/nfs/dbraw/zinc/50/31/14/677503114.db2.gz	QYSXVZDEMISQFK-GTPINHCMSA-N	1	0	356.536	1.955	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[N@H+](Cc2ccccc2)CC1	ZINC000369521672	677505924	/nfs/dbraw/zinc/50/59/24/677505924.db2.gz	VSJPLENFKNVGBS-KRWDZBQOSA-N	1	0	364.515	1.921	20	30		FDEDRO
C=CCN(C(=O)[C@@H](C)NS(C)(=O)=O)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000369938271	677529977	/nfs/dbraw/zinc/52/99/77/677529977.db2.gz	XLROHJIFAPREGH-WBVHZDCISA-N	1	0	365.499	1.213	20	30		FDEDRO
COC[C@H]1CCCC[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1	ZINC000372109420	677844594	/nfs/dbraw/zinc/84/45/94/677844594.db2.gz	RUTBINLQQVGUBF-ZWKOTPCHSA-N	1	0	350.507	1.427	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@]3(CCC[C@@H]3[NH3+])C2)c1	ZINC000372789305	677976702	/nfs/dbraw/zinc/97/67/02/677976702.db2.gz	XFUVWOPKMKOWQK-FUHWJXTLSA-N	1	0	363.483	1.494	20	30		FDEDRO
N#Cc1cc2c(nc1N1CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC1)CCC2	ZINC000372993141	678004807	/nfs/dbraw/zinc/00/48/07/678004807.db2.gz	NYVWIXSCQQJWBV-INIZCTEOSA-N	1	0	360.483	1.187	20	30		FDEDRO
CCOC(=O)[C@@]1(COC)CCC[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)C1	ZINC000374169400	678074048	/nfs/dbraw/zinc/07/40/48/678074048.db2.gz	CHCAMGHSQFSFRJ-YJBOKZPZSA-N	1	0	353.463	1.286	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1	ZINC000374583713	678087385	/nfs/dbraw/zinc/08/73/85/678087385.db2.gz	IROGBNSDUWSKEK-NVXWUHKLSA-N	1	0	350.488	1.671	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N(C)[C@H]2CCC[NH2+]CC2)ccc1F	ZINC000376147840	678231269	/nfs/dbraw/zinc/23/12/69/678231269.db2.gz	IXBOWUOFMITQOB-AWEZNQCLSA-N	1	0	369.462	1.504	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2	ZINC000423333360	680788952	/nfs/dbraw/zinc/78/89/52/680788952.db2.gz	FFMWUUVYDIENFQ-MRXNPFEDSA-N	1	0	351.491	1.405	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CCN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1	ZINC000377959340	678660005	/nfs/dbraw/zinc/66/00/05/678660005.db2.gz	QRMBXUMAJSAWBW-NZSAHSFTSA-N	1	0	359.495	1.748	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000410152544	678886407	/nfs/dbraw/zinc/88/64/07/678886407.db2.gz	AFMXMDMRPXZERI-HOTGVXAUSA-N	1	0	372.535	1.288	20	30		FDEDRO
C=C(C)CN(C)C(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1	ZINC000410441392	678899767	/nfs/dbraw/zinc/89/97/67/678899767.db2.gz	YIMRJHZSOVCDQI-IAGOWNOFSA-N	1	0	350.507	1.038	20	30		FDEDRO
C[N@@H+]1CCCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1	ZINC000411151993	678989979	/nfs/dbraw/zinc/98/99/79/678989979.db2.gz	FJQDKVPQJKIPSF-MRXNPFEDSA-N	1	0	361.515	1.094	20	30		FDEDRO
CN(C)C(=O)NCC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000411432933	679034450	/nfs/dbraw/zinc/03/44/50/679034450.db2.gz	SLRIKGRGUVDANZ-UHFFFAOYSA-N	1	0	363.487	1.640	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@@H](O)C[C@H]2COC)c(OC)c1	ZINC000411922585	679097627	/nfs/dbraw/zinc/09/76/27/679097627.db2.gz	LTIGCSAIVAEWIY-YESZJQIVSA-N	1	0	351.443	1.245	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NC[C@@H](O)COc1cccc(C(F)(F)F)c1	ZINC000424107682	680830120	/nfs/dbraw/zinc/83/01/20/680830120.db2.gz	OOASBIYKLHPJPM-OCCSQVGLSA-N	1	0	359.348	1.582	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000424080871	680829006	/nfs/dbraw/zinc/82/90/06/680829006.db2.gz	UCXHJJMXSJEQBA-INIZCTEOSA-N	1	0	364.471	1.821	20	30		FDEDRO
CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)[C@@H]([NH3+])CCCC#N)c1	ZINC000424108217	680830289	/nfs/dbraw/zinc/83/02/89/680830289.db2.gz	WEGROZVXKKZLOA-HNNXBMFYSA-N	1	0	366.487	1.864	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCC2(CS(C)(=O)=O)CCC2)CC1	ZINC000413240003	679248144	/nfs/dbraw/zinc/24/81/44/679248144.db2.gz	MSORGLYTQLCDSM-UHFFFAOYSA-N	1	0	357.520	1.541	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC[NH2+]C2(C)C)cc1	ZINC000414888769	679372520	/nfs/dbraw/zinc/37/25/20/679372520.db2.gz	FMJSZXKHXKZMFH-HNNXBMFYSA-N	1	0	366.487	1.755	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCC[NH2+]2)cc1	ZINC000414890111	679372527	/nfs/dbraw/zinc/37/25/27/679372527.db2.gz	HBHDOBFKKFHVPM-CQSZACIVSA-N	1	0	352.460	1.367	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[NH2+][C@H](C)C2)cc1	ZINC000414892604	679372764	/nfs/dbraw/zinc/37/27/64/679372764.db2.gz	JLWZJQFAQLSPRT-CYBMUJFWSA-N	1	0	352.460	1.319	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC[C@@H]2CC[NH2+]C2)cc1	ZINC000414894311	679372777	/nfs/dbraw/zinc/37/27/77/679372777.db2.gz	KZVRTKUKARCGJH-AWEZNQCLSA-N	1	0	366.487	1.614	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)[C@H](C[NH3+])C2CC2)cc1	ZINC000414895926	679373068	/nfs/dbraw/zinc/37/30/68/679373068.db2.gz	NWEJNUYCEJUPOP-MRXNPFEDSA-N	1	0	366.487	1.694	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1	ZINC000414896586	679373075	/nfs/dbraw/zinc/37/30/75/679373075.db2.gz	PNUMPYGOZHJJLN-HIFRSBDPSA-N	1	0	366.487	1.755	20	30		FDEDRO
CCOC(=O)c1c(NC(=O)N[C@H](C)[C@@H](C)[NH3+])c(C#N)cn1CCOC	ZINC000415496704	679440012	/nfs/dbraw/zinc/44/00/12/679440012.db2.gz	SGJRFDXBJMAKAB-GHMZBOCLSA-N	1	0	351.407	1.040	20	30		FDEDRO
C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000415523097	679444740	/nfs/dbraw/zinc/44/47/40/679444740.db2.gz	MZOOEVJXBSHCIP-KOLCDFICSA-N	1	0	352.341	1.294	20	30		FDEDRO
CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1	ZINC000415598238	679461621	/nfs/dbraw/zinc/46/16/21/679461621.db2.gz	KJDVNDAGYXALTJ-BLLLJJGKSA-N	1	0	352.460	1.867	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])cc1	ZINC000415599460	679462084	/nfs/dbraw/zinc/46/20/84/679462084.db2.gz	MNKZJJLCNALONS-VNHYZAJKSA-N	1	0	364.471	1.963	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1	ZINC000415603197	679462844	/nfs/dbraw/zinc/46/28/44/679462844.db2.gz	TWVUYZQPSRDATC-DYVFJYSZSA-N	1	0	364.471	1.884	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)cc1C(F)(F)F	ZINC000415627418	679468098	/nfs/dbraw/zinc/46/80/98/679468098.db2.gz	XNVSWDSQSCAZRV-LLVKDONJSA-N	1	0	354.332	1.774	20	30		FDEDRO
C[NH2+][C@@H](C)CNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000415703184	679482218	/nfs/dbraw/zinc/48/22/18/679482218.db2.gz	QEUWHGUVIPBCBU-VIFPVBQESA-N	1	0	358.320	1.162	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1Cl	ZINC000415765453	679495636	/nfs/dbraw/zinc/49/56/36/679495636.db2.gz	QYKNTNCNSSTSSW-AWEZNQCLSA-N	1	0	360.845	1.998	20	30		FDEDRO
N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1	ZINC000415823633	679515139	/nfs/dbraw/zinc/51/51/39/679515139.db2.gz	TWYNJKXEYIUXGM-ZIAGYGMSSA-N	1	0	360.845	1.998	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)ccc1Br	ZINC000415860614	679528692	/nfs/dbraw/zinc/52/86/92/679528692.db2.gz	COTKWDHBNXDVOW-LBPRGKRZSA-N	1	0	365.231	1.518	20	30		FDEDRO
C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCSCc1ccccc1C#N	ZINC000418920950	680153458	/nfs/dbraw/zinc/15/34/58/680153458.db2.gz	LEXUCKGDGPPUPE-XJKSGUPXSA-N	1	0	360.483	1.022	20	30		FDEDRO
C=C(C)[C@@H](NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)c1ccc(F)c(F)c1	ZINC000419676940	680316891	/nfs/dbraw/zinc/31/68/91/680316891.db2.gz	MFLGXBJAQRJQBO-CZUORRHYSA-N	1	0	351.397	1.957	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC(OCC[NH+](C)C)CC1	ZINC000474115485	685369321	/nfs/dbraw/zinc/36/93/21/685369321.db2.gz	GCJVBAAPTWMQOR-UHFFFAOYSA-N	1	0	351.472	1.598	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000474160114	685375865	/nfs/dbraw/zinc/37/58/65/685375865.db2.gz	LVACERBLYPKZOT-OAHLLOKOSA-N	1	0	352.460	1.075	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1	ZINC000425868898	680937638	/nfs/dbraw/zinc/93/76/38/680937638.db2.gz	JCIZZCZIJXMIMK-QAETUUGQSA-N	1	0	351.491	1.178	20	30		FDEDRO
C=CCn1cc(CNC(=O)N2CC[N@H+](CCOC)[C@@H](CCC)C2)nn1	ZINC000425872327	680938099	/nfs/dbraw/zinc/93/80/99/680938099.db2.gz	JKZITIUVHNWJFS-INIZCTEOSA-N	1	0	350.467	1.106	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C	ZINC000430401653	681075288	/nfs/dbraw/zinc/07/52/88/681075288.db2.gz	CLRZBSYOEKUUOD-VQHPVUNQSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[N@@H+](C)C[C@H]2CC)c1	ZINC000439216772	681914389	/nfs/dbraw/zinc/91/43/89/681914389.db2.gz	UHPIGNGLUDBHQJ-MRXNPFEDSA-N	1	0	365.499	1.707	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1	ZINC000439465917	681929603	/nfs/dbraw/zinc/92/96/03/681929603.db2.gz	FVALRCGYBMFDOL-SCLBCKFNSA-N	1	0	351.447	1.442	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1	ZINC000440838145	682030655	/nfs/dbraw/zinc/03/06/55/682030655.db2.gz	NNNMISOSGGAHET-AWEZNQCLSA-N	1	0	364.427	1.619	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Cl)c(C(N)=O)c2)CC1	ZINC000442288055	682141681	/nfs/dbraw/zinc/14/16/81/682141681.db2.gz	FWPTYHUVGPQVCD-UHFFFAOYSA-N	1	0	364.833	1.144	20	30		FDEDRO
C=C[C@@H](C)NC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C	ZINC000474911988	685547580	/nfs/dbraw/zinc/54/75/80/685547580.db2.gz	AUHRRWIVLKXWGP-CQSZACIVSA-N	1	0	353.488	1.529	20	30		FDEDRO
C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1	ZINC000448568990	682621531	/nfs/dbraw/zinc/62/15/31/682621531.db2.gz	NDPALUDUQYJOQO-AWEZNQCLSA-N	1	0	360.845	1.729	20	30		FDEDRO
C[N@@H+]1CC[C@@H](CNC(=O)COc2cccc(Br)c2C#N)C1	ZINC000449788020	682711334	/nfs/dbraw/zinc/71/13/34/682711334.db2.gz	AADOIJGKWDVTHV-NSHDSACASA-N	1	0	352.232	1.767	20	30		FDEDRO
N#Cc1cc(Br)cnc1NCCC[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000450303843	682751964	/nfs/dbraw/zinc/75/19/64/682751964.db2.gz	JXSJYHPGAZQVKA-LLVKDONJSA-N	1	0	366.263	1.715	20	30		FDEDRO
CC[C@@H](CO)[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000451155447	682829777	/nfs/dbraw/zinc/82/97/77/682829777.db2.gz	BMWKZBCATIFCID-GJZGRUSLSA-N	1	0	350.488	1.160	20	30		FDEDRO
CO[C@]1(C)C[C@H]([NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1(C)C	ZINC000451483028	682887245	/nfs/dbraw/zinc/88/72/45/682887245.db2.gz	DQDHLEAFNMHCNP-TXPKVOOTSA-N	1	0	350.507	1.472	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)N(C)CCC#N)CC[N@H+](Cc2ccccc2)C1	ZINC000451929254	682970643	/nfs/dbraw/zinc/97/06/43/682970643.db2.gz	PMHQNGDZWGZOPG-INIZCTEOSA-N	1	0	350.488	1.531	20	30		FDEDRO
C[C@@H]1C[C@@H](O)C[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1	ZINC000452069840	683015893	/nfs/dbraw/zinc/01/58/93/683015893.db2.gz	NHZFQABJSQNOLI-OAGGEKHMSA-N	1	0	362.499	1.160	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2CCCO)cnc1C(F)(F)F	ZINC000452344682	683054492	/nfs/dbraw/zinc/05/44/92/683054492.db2.gz	OYAOMZUQIHJNCE-CYBMUJFWSA-N	1	0	356.348	1.549	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1)[N@@H+]1CCCC[C@@H]1C	ZINC000453597981	683168234	/nfs/dbraw/zinc/16/82/34/683168234.db2.gz	KZRJTPFTBBOVMB-NWDGAFQWSA-N	1	0	363.849	1.924	20	30		FDEDRO
N#Cc1ncc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1Cl	ZINC000453639616	683173471	/nfs/dbraw/zinc/17/34/71/683173471.db2.gz	KHBSSPZPULVWFV-CYBMUJFWSA-N	1	0	361.833	1.632	20	30		FDEDRO
CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000453655677	683177723	/nfs/dbraw/zinc/17/77/23/683177723.db2.gz	XZQSNBKDBYPQNC-CYBMUJFWSA-N	1	0	363.849	1.926	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NC(C)(C)CN1CC[NH+](CC)CC1	ZINC000458725132	684311952	/nfs/dbraw/zinc/31/19/52/684311952.db2.gz	FXRPBSCCMNOLRE-IAGOWNOFSA-N	1	0	352.523	1.683	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000459026198	684357861	/nfs/dbraw/zinc/35/78/61/684357861.db2.gz	LYAJBYXFHBZVMY-XDNAFOTISA-N	1	0	350.507	1.530	20	30		FDEDRO
C=CCN(C)C(=O)C(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000459909807	684483658	/nfs/dbraw/zinc/48/36/58/684483658.db2.gz	QKYZQYAMWSMTOR-HOTGVXAUSA-N	1	0	351.491	1.369	20	30		FDEDRO
CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)c1	ZINC000469793605	684986644	/nfs/dbraw/zinc/98/66/44/684986644.db2.gz	HJPZOGBOUNPVLV-STQMWFEESA-N	1	0	364.471	1.196	20	30		FDEDRO
CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)cc1	ZINC000469794680	684986697	/nfs/dbraw/zinc/98/66/97/684986697.db2.gz	URRWRCPDJWKKAE-OLZOCXBDSA-N	1	0	364.471	1.196	20	30		FDEDRO
COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(CC#N)cc2)C1	ZINC000487983042	687018124	/nfs/dbraw/zinc/01/81/24/687018124.db2.gz	UCKRRDSYBCAKQD-SFHVURJKSA-N	1	0	365.499	1.625	20	30		FDEDRO
C[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000488791787	687059272	/nfs/dbraw/zinc/05/92/72/687059272.db2.gz	ZPAJSQPPWRHUEO-UKRRQHHQSA-N	1	0	354.372	1.876	20	30		FDEDRO
C=CCCCS(=O)(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1	ZINC000489118694	687079252	/nfs/dbraw/zinc/07/92/52/687079252.db2.gz	UJFYUJYTFZGTOT-UHFFFAOYSA-N	1	0	373.563	1.698	20	30		FDEDRO
C=CCn1cccc1C(=O)N(CC[NH+](CC)CC)[C@@H]1CCS(=O)(=O)C1	ZINC000489991121	687125118	/nfs/dbraw/zinc/12/51/18/687125118.db2.gz	VGXNUBTUEZGLHL-MRXNPFEDSA-N	1	0	367.515	1.645	20	30		FDEDRO
C=CCn1cccc1C(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1	ZINC000490027064	687127349	/nfs/dbraw/zinc/12/73/49/687127349.db2.gz	SXOGYDCGKKDOPF-HNNXBMFYSA-N	1	0	353.488	1.255	20	30		FDEDRO
CC[NH+](CC)CCS(=O)(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000490036680	687127807	/nfs/dbraw/zinc/12/78/07/687127807.db2.gz	DYNZRDZFTQZWAD-HNNXBMFYSA-N	1	0	352.460	1.078	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](CCNC(C)=O)C2)CC1	ZINC000493810126	687455167	/nfs/dbraw/zinc/45/51/67/687455167.db2.gz	OLXWZFJYFYAZHF-KRWDZBQOSA-N	1	0	350.507	1.975	20	30		FDEDRO
CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000500012937	688026486	/nfs/dbraw/zinc/02/64/86/688026486.db2.gz	XUYLBCFDJBTZDX-UHFFFAOYSA-N	1	0	367.247	1.764	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN(C(C)C)C(=O)C1)C(C)C	ZINC000507963038	688695485	/nfs/dbraw/zinc/69/54/85/688695485.db2.gz	PKITWXNPYVVNEV-KRWDZBQOSA-N	1	0	350.507	1.947	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1	ZINC000510903024	689435141	/nfs/dbraw/zinc/43/51/41/689435141.db2.gz	NWDCJFCCOJFYQU-CQSZACIVSA-N	1	0	361.408	1.968	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC(C)(C)CCC#N)CC1	ZINC000513112968	689655761	/nfs/dbraw/zinc/65/57/61/689655761.db2.gz	HVDHIWJKEJQUQG-UHFFFAOYSA-N	1	0	351.495	1.512	20	30		FDEDRO
CC[C@@H]1CCCCN1CC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000516175439	689925050	/nfs/dbraw/zinc/92/50/50/689925050.db2.gz	PEDFKEYDEJGBRB-MRXNPFEDSA-N	1	0	350.488	1.581	20	30		FDEDRO
C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000516290962	689939542	/nfs/dbraw/zinc/93/95/42/689939542.db2.gz	DDJCXFBAYXBAEE-VXGBXAGGSA-N	1	0	355.360	1.415	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CSc2nnnn2CC(F)(F)F)CC1	ZINC000517988126	690110183	/nfs/dbraw/zinc/11/01/83/690110183.db2.gz	IJZOJRITHKINNT-UHFFFAOYSA-N	1	0	364.397	1.094	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1	ZINC000528689965	694743422	/nfs/dbraw/zinc/74/34/22/694743422.db2.gz	QKUIUBQMLUGWSY-IUODEOHRSA-N	1	0	362.455	1.778	20	30		FDEDRO
C=CCN(C(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1)[C@@H]1CCS(=O)(=O)C1	ZINC000637943648	695298456	/nfs/dbraw/zinc/29/84/56/695298456.db2.gz	HOUMRBMTDZQILX-USXIJHARSA-N	1	0	366.483	1.121	20	30		FDEDRO
C=CCN(C(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F)[C@H](C)COC	ZINC000638408264	695355570	/nfs/dbraw/zinc/35/55/70/695355570.db2.gz	WXFVMQPFJGWABC-LLVKDONJSA-N	1	0	357.405	1.803	20	30		FDEDRO
C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCN(S(C)(=O)=O)CC1	ZINC000639784509	695498936	/nfs/dbraw/zinc/49/89/36/695498936.db2.gz	NLLGLZDGCUCFGD-GOEBONIOSA-N	1	0	357.520	1.251	20	30		FDEDRO
COC[C@](C)(CO)[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000639955958	695518804	/nfs/dbraw/zinc/51/88/04/695518804.db2.gz	BNHGBQGSGLDZNK-INIZCTEOSA-N	1	0	358.360	1.160	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1NC[C@H](C)N1CC[NH+](CC)CC1	ZINC000641291835	696033958	/nfs/dbraw/zinc/03/39/58/696033958.db2.gz	FEEZDFKESKWNLO-INIZCTEOSA-N	1	0	366.531	1.589	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccccc1NCCN1CC[N@@H+](C)C(C)(C)C1	ZINC000641551298	696147508	/nfs/dbraw/zinc/14/75/08/696147508.db2.gz	BFYZMYWXOABDLU-UHFFFAOYSA-N	1	0	366.531	1.589	20	30		FDEDRO
C=CCCCS(=O)(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000641600420	696164419	/nfs/dbraw/zinc/16/44/19/696164419.db2.gz	MFYKSBSILGGJQL-HOTGVXAUSA-N	1	0	359.536	1.449	20	30		FDEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)c(F)cc1C#N)CC2	ZINC001164687101	719695634	/nfs/dbraw/zinc/69/56/34/719695634.db2.gz	PSFUQEBNWMNNBB-UHFFFAOYSA-N	1	0	365.840	1.927	20	30		FDEDRO
C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(Cl)c(C#N)cc2C#N)C1	ZINC001164725916	720514216	/nfs/dbraw/zinc/51/42/16/720514216.db2.gz	AALJOOUHXDYLIP-GFCCVEGCSA-N	1	0	355.833	1.873	20	30		FDEDRO
N#Cc1cc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1	ZINC001164739785	720599916	/nfs/dbraw/zinc/59/99/16/720599916.db2.gz	HFPYKGSNKXCDPX-ZIAGYGMSSA-N	1	0	356.817	1.739	20	30		FDEDRO
N#Cc1cnc(Cl)cc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164738303	720627020	/nfs/dbraw/zinc/62/70/20/720627020.db2.gz	BUANUJKYEQXKOB-UONOGXRCSA-N	1	0	356.817	1.739	20	30		FDEDRO
N#Cc1c(Cl)ncnc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164743781	720646687	/nfs/dbraw/zinc/64/66/87/720646687.db2.gz	QQANACCCEOASMA-RYUDHWBXSA-N	1	0	357.805	1.134	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3ncc(C#N)cc3Cl)CC[C@H]2C1	ZINC001164851802	720836624	/nfs/dbraw/zinc/83/66/24/720836624.db2.gz	HYCIYRLMVTYCIM-GOEBONIOSA-N	1	0	350.850	1.780	20	30		FDEDRO
Cc1cnc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c(C=NO)c1	ZINC001164761219	721175420	/nfs/dbraw/zinc/17/54/20/721175420.db2.gz	AEHGROXOXVLXJP-SJLPKXTDSA-N	1	0	354.458	1.890	20	30		FDEDRO
Cc1cnc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c(C#N)n1	ZINC001164896214	721429045	/nfs/dbraw/zinc/42/90/45/721429045.db2.gz	REMCBKOFOZOTPA-XLIONFOSSA-N	1	0	370.501	1.422	20	30		FDEDRO
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC[C@@H]([NH+](C)C)C1	ZINC001165034333	721896380	/nfs/dbraw/zinc/89/63/80/721896380.db2.gz	CKPLGRMOGUKGGJ-ZIAGYGMSSA-N	1	0	353.426	1.940	20	30		FDEDRO
N#Cc1c2c(cnc1N1CCN(CCc3ccccn3)CC1)C[NH2+]CCC2	ZINC001165054476	722008552	/nfs/dbraw/zinc/00/85/52/722008552.db2.gz	NMFIJSBPJDQNLY-UHFFFAOYSA-N	1	0	362.481	1.749	20	30		FDEDRO
Cc1cnc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c(C=NO)c1	ZINC001165001875	722255403	/nfs/dbraw/zinc/25/54/03/722255403.db2.gz	HUOFLRZJFHHTNL-UHFFFAOYSA-N	1	0	372.473	1.883	20	30		FDEDRO
O=C(NC[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC000978561709	805597219	/nfs/dbraw/zinc/59/72/19/805597219.db2.gz	STTGEGMTZUJJTF-LMLDJKJJSA-N	1	0	362.473	1.756	20	30		FDEDRO
C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)Cc3csc(COC)n3)[C@H]2C1	ZINC001083243617	782503065	/nfs/dbraw/zinc/50/30/65/782503065.db2.gz	LOAGIIRCCOPJTH-LSDHHAIUSA-N	1	0	351.472	1.320	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H]3CCN(C(=O)C[N@H+]4CCC[C@H]4C)[C@@H]3C2)c1	ZINC001022718410	782568729	/nfs/dbraw/zinc/56/87/29/782568729.db2.gz	UXZAKQVJRFDZDC-HHXXYDBFSA-N	1	0	366.465	1.220	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CCC[C@H](CNC(=O)c3ccccc3)C2)[N@H+](C)C1	ZINC000329048851	782677671	/nfs/dbraw/zinc/67/76/71/782677671.db2.gz	VWMPUQGGNLOPND-NJAFHUGGSA-N	1	0	359.470	1.949	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1	ZINC000969126143	769004091	/nfs/dbraw/zinc/00/40/91/769004091.db2.gz	OWYABPMRWVGFSW-GEALJGNFSA-N	1	0	365.477	1.824	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)s1	ZINC001020423092	769408105	/nfs/dbraw/zinc/40/81/05/769408105.db2.gz	QRHAZGKLJVPZPU-UCQBOQSVSA-N	1	0	361.467	1.408	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2CN(CC(=O)NC(=O)NC)C[C@H]2C)CCCC1	ZINC001211492489	769732367	/nfs/dbraw/zinc/73/23/67/769732367.db2.gz	CMRSUOOAWBMNJJ-ZIAGYGMSSA-N	1	0	350.463	1.015	20	30		FDEDRO
C=CCC1(C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]2C)CCCC1	ZINC001211495844	769883170	/nfs/dbraw/zinc/88/31/70/769883170.db2.gz	ZAVRKJTWXNVTNW-HZPDHXFCSA-N	1	0	361.486	1.708	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCO[C@@H]3C[N@@H+](C[C@H]4CC(C)(C)CO4)C[C@@H]32)c1	ZINC001083188190	769980917	/nfs/dbraw/zinc/98/09/17/769980917.db2.gz	IVCRBQXSYVNOIC-CEXWTWQISA-N	1	0	369.465	1.403	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCO[C@@H]3C[N@H+](CC[C@H]4CCCO4)C[C@@H]32)c1	ZINC001083188452	769983040	/nfs/dbraw/zinc/98/30/40/769983040.db2.gz	WCCLXEPBRNGZKP-CEXWTWQISA-N	1	0	355.438	1.157	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](C)C	ZINC000969433863	770186926	/nfs/dbraw/zinc/18/69/26/770186926.db2.gz	NDQLNYCYGFXNGK-WKULXVSPSA-N	1	0	363.502	1.510	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cnns2)c1	ZINC001087210922	782818804	/nfs/dbraw/zinc/81/88/04/782818804.db2.gz	JJZVBVJVZPFYRG-CJNGLKHVSA-N	1	0	355.467	1.945	20	30		FDEDRO
C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(Cc2ccc(F)c(C#N)c2)C1	ZINC000969705232	770693501	/nfs/dbraw/zinc/69/35/01/770693501.db2.gz	VGWNRCUDSLJVKN-HBUWYVDXSA-N	1	0	358.461	1.974	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1c1ccccc1	ZINC001211546193	782879697	/nfs/dbraw/zinc/87/96/97/782879697.db2.gz	ZQGYMVKEYTUVAU-RYQLBKOJSA-N	1	0	364.511	1.970	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCc3ccccc32)C1	ZINC001020605548	770988191	/nfs/dbraw/zinc/98/81/91/770988191.db2.gz	NAIZKPWWXIHWRR-MTNOOBJLSA-N	1	0	369.465	1.404	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc3oc(=O)n(C)c3c2)C1	ZINC000970016966	771205635	/nfs/dbraw/zinc/20/56/35/771205635.db2.gz	LSEGKCQCSOANPD-INMHGKMJSA-N	1	0	371.437	1.413	20	30		FDEDRO
COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)cc1C#N	ZINC001167103351	771261642	/nfs/dbraw/zinc/26/16/42/771261642.db2.gz	RDMFKFBCOCUXBT-ZWKOTPCHSA-N	1	0	367.453	1.700	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1	ZINC001020714590	771287810	/nfs/dbraw/zinc/28/78/10/771287810.db2.gz	VFYFZJKLCVYCDI-WOYTXXSLSA-N	1	0	370.515	1.029	20	30		FDEDRO
CC[C@@H](C(=O)N1CCO[C@@H]2CN(Cc3ccccc3C#N)C[C@@H]21)[NH+](C)C	ZINC001083195726	771417760	/nfs/dbraw/zinc/41/77/60/771417760.db2.gz	LHAPHKGNBCONQW-GBESFXJTSA-N	1	0	356.470	1.310	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)NCC3CCOCC3)cn2)CC1	ZINC000328644490	771457806	/nfs/dbraw/zinc/45/78/06/771457806.db2.gz	GQHOHGVOYTURRB-UHFFFAOYSA-N	1	0	361.490	1.654	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)C(=C)Cl)C[C@H]1C	ZINC001104236214	771460526	/nfs/dbraw/zinc/46/05/26/771460526.db2.gz	PBPUJSNDYLDSSM-UKRRQHHQSA-N	1	0	353.894	1.589	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccnn2C(C)C)C[C@H]1C	ZINC001104237725	771474846	/nfs/dbraw/zinc/47/48/46/771474846.db2.gz	MDSYNQYZFDUQMB-HZPDHXFCSA-N	1	0	361.490	1.454	20	30		FDEDRO
C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)NCC3(CC#N)CC3)cccc21	ZINC000430323340	771566753	/nfs/dbraw/zinc/56/67/53/771566753.db2.gz	RCJHKVMTHIFHBK-OAHLLOKOSA-N	1	0	356.426	1.820	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2C(=O)CNC2=O)C1	ZINC001104239659	771601645	/nfs/dbraw/zinc/60/16/45/771601645.db2.gz	JNDURIQXRZEEDJ-HUUCEWRRSA-N	1	0	364.490	1.215	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCCOC)C1	ZINC001104239794	771608614	/nfs/dbraw/zinc/60/86/14/771608614.db2.gz	QGIBTSGJXUKAOT-IAGOWNOFSA-N	1	0	367.534	1.816	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1CC[NH2+]Cc1ccc(C#N)s1	ZINC001104241281	771644455	/nfs/dbraw/zinc/64/44/55/771644455.db2.gz	UXRDQWMYGJCBNC-ZIAGYGMSSA-N	1	0	358.471	1.486	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCO[C@H]2c2ccccc2)CC1	ZINC000286487615	771718108	/nfs/dbraw/zinc/71/81/08/771718108.db2.gz	JQRPJVWVHNMYHB-MOPGFXCFSA-N	1	0	371.481	1.790	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(CC#Cc3ccccc3)C[C@@H]21	ZINC001083198926	771826860	/nfs/dbraw/zinc/82/68/60/771826860.db2.gz	YUQKWDCSTJHNMM-IVAOSVALSA-N	1	0	366.461	1.541	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]Cc2c(C)nnn2CC)CC1	ZINC001167273832	771847999	/nfs/dbraw/zinc/84/79/99/771847999.db2.gz	DINBZWCMXMPDAR-WBVHZDCISA-N	1	0	361.490	1.574	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]Cc2snnc2C)CC1	ZINC001167277343	771855574	/nfs/dbraw/zinc/85/55/74/771855574.db2.gz	HNBYZMQIZMXPKC-KGLIPLIRSA-N	1	0	350.488	1.814	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]C[C@H](O)CC(F)(F)F)CC1	ZINC001167277877	771856922	/nfs/dbraw/zinc/85/69/22/771856922.db2.gz	WLZMKYXLHUSBNZ-MCIONIFRSA-N	1	0	364.408	1.767	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)C2	ZINC001112481277	771879882	/nfs/dbraw/zinc/87/98/82/771879882.db2.gz	HURFVEFBBYMGFC-CLWJZODNSA-N	1	0	363.502	1.594	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)c4ccc(C)o4)[C@@H]3C2)CC1	ZINC001021017806	771902758	/nfs/dbraw/zinc/90/27/58/771902758.db2.gz	MZUVWJVKJZGJHW-ZWKOTPCHSA-N	1	0	369.465	1.606	20	30		FDEDRO
C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1	ZINC000970197690	772041832	/nfs/dbraw/zinc/04/18/32/772041832.db2.gz	FAQAHIBMYCGQGZ-QRQLOZEOSA-N	1	0	365.518	1.269	20	30		FDEDRO
C=CCCn1cc(CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)nn1	ZINC000655680449	772296179	/nfs/dbraw/zinc/29/61/79/772296179.db2.gz	MNPWLOOTRFKQAF-HDICACEKSA-N	1	0	365.437	1.471	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@@H]2O)CC1	ZINC000970337078	772366674	/nfs/dbraw/zinc/36/66/74/772366674.db2.gz	ZOKSNNVDEQJTCT-KURKYZTESA-N	1	0	363.502	1.294	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC2CC2)C1)OCC	ZINC001104255345	772428031	/nfs/dbraw/zinc/42/80/31/772428031.db2.gz	JDUJFFBQWQYGMN-JFIYKMOQSA-N	1	0	365.518	1.711	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(=O)c2cccs2)C[C@H]1C	ZINC001104258176	772481612	/nfs/dbraw/zinc/48/16/12/772481612.db2.gz	XLTGXCIGDWUGPS-HZPDHXFCSA-N	1	0	361.511	1.918	20	30		FDEDRO
CNC(=O)NCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccc(C#N)c2)C1	ZINC001104264676	772573750	/nfs/dbraw/zinc/57/37/50/772573750.db2.gz	YTBLKRIIHPBDOF-RHSMWYFYSA-N	1	0	357.458	1.061	20	30		FDEDRO
CCC1([NH+]2CCCCC2)CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1	ZINC000890976142	772595230	/nfs/dbraw/zinc/59/52/30/772595230.db2.gz	HMDGZTNDGYNQSH-UHFFFAOYSA-N	1	0	372.473	1.602	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)Cn2ccc(C(F)F)n2)C[C@H]1C	ZINC001104275460	772715255	/nfs/dbraw/zinc/71/52/55/772715255.db2.gz	OGJVZSXQXNSNJK-HUUCEWRRSA-N	1	0	368.428	1.545	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCN3CCCC3=O)C2)CCC1	ZINC001104279503	772755056	/nfs/dbraw/zinc/75/50/56/772755056.db2.gz	CFFACGAVGMQUOP-QZTJIDSGSA-N	1	0	359.514	1.877	20	30		FDEDRO
CCc1[nH]nc(Cl)c1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C1	ZINC001104282721	772776546	/nfs/dbraw/zinc/77/65/46/772776546.db2.gz	QWXHGVAEIIVXQK-ZIAGYGMSSA-N	1	0	366.893	1.963	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCCS(C)(=O)=O)C1	ZINC001211549326	783042282	/nfs/dbraw/zinc/04/22/82/783042282.db2.gz	FEICEWYLRXBDKU-ZWKOTPCHSA-N	1	0	364.511	1.972	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(C)C[C@@H](C)C#N)c(C)c2)CC1	ZINC000275655158	772976974	/nfs/dbraw/zinc/97/69/74/772976974.db2.gz	HAKQHOMXGGZVLC-HNNXBMFYSA-N	1	0	371.485	1.694	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCc2ccon2)C[C@H]1C	ZINC001104419310	783062441	/nfs/dbraw/zinc/06/24/41/783062441.db2.gz	DNXUXCNUICUUKH-OWCLPIDISA-N	1	0	362.474	1.372	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnoc1-c1cnn(C)c1)C2	ZINC001112488588	773189403	/nfs/dbraw/zinc/18/94/03/773189403.db2.gz	ZIZQEWRJKWJHMW-JXFKEZNVSA-N	1	0	367.453	1.930	20	30		FDEDRO
CC(=NNC(=S)NC[C@H]1CCCO1)c1ccc(OCC[NH+](C)C)cc1	ZINC000748131818	773258916	/nfs/dbraw/zinc/25/89/16/773258916.db2.gz	OMRFQPUVKOWMCD-QGZVFWFLSA-N	1	0	364.515	1.994	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3CN(C(=O)C45CCC[NH+]4CCC5)C[C@H]32)c[nH]1	ZINC001021425756	773302729	/nfs/dbraw/zinc/30/27/29/773302729.db2.gz	DGGFNJJQDZXWAJ-WMLDXEAASA-N	1	0	367.453	1.188	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cc(=O)c(OC)c[nH]2)C[C@H]1C	ZINC001104420455	783106891	/nfs/dbraw/zinc/10/68/91/783106891.db2.gz	PXZFNJIZBKWUQZ-HUUCEWRRSA-N	1	0	363.458	1.274	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cccn2C)C1=O	ZINC001087122445	773685894	/nfs/dbraw/zinc/68/58/94/773685894.db2.gz	SOQPKZUIGJWTCN-IXDOHACOSA-N	1	0	358.486	1.642	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cc(=O)c(OC)co2)C[C@H]1C	ZINC001104420543	783124682	/nfs/dbraw/zinc/12/46/82/783124682.db2.gz	UVRMHGPFONRUEA-HUUCEWRRSA-N	1	0	364.442	1.539	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C1	ZINC001104293871	773874995	/nfs/dbraw/zinc/87/49/95/773874995.db2.gz	JQMXVWWYYWDVRR-HZPDHXFCSA-N	1	0	367.515	1.407	20	30		FDEDRO
C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CCCS1(=O)=O)C2	ZINC001112493746	773923629	/nfs/dbraw/zinc/92/36/29/773923629.db2.gz	CVBSRDCPOPAAFZ-BQFCYCMXSA-N	1	0	354.516	1.748	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cncc(-n3ccnn3)c1)C2	ZINC001112494075	773931816	/nfs/dbraw/zinc/93/18/16/773931816.db2.gz	KPYOQMLHJSKNSZ-PXNSSMCTSA-N	1	0	364.453	1.518	20	30		FDEDRO
CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c[nH]nc1[C@@H]1CCOC1)C2	ZINC001112494837	773940674	/nfs/dbraw/zinc/94/06/74/773940674.db2.gz	XORZUUFRDWODNO-GUXCAODWSA-N	1	0	356.470	1.769	20	30		FDEDRO
O=C(C#CC1CC1)N1C[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1	ZINC001022779183	783138391	/nfs/dbraw/zinc/13/83/91/783138391.db2.gz	YYJCBSBKPMPLIO-VQTJNVASSA-N	1	0	369.509	1.581	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C[C@H]21	ZINC001021590525	774116977	/nfs/dbraw/zinc/11/69/77/774116977.db2.gz	GKDRCURFWXPGOC-DFQSSKMNSA-N	1	0	369.509	1.866	20	30		FDEDRO
CC(C)Oc1ncccc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000275874095	774253866	/nfs/dbraw/zinc/25/38/66/774253866.db2.gz	NMLSJMLAIBSISK-UHFFFAOYSA-N	1	0	361.446	1.501	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cncc(CC)c2)C[C@H]1C	ZINC001104421368	783181496	/nfs/dbraw/zinc/18/14/96/783181496.db2.gz	PHALFKVLGDBPDQ-SOLBZPMBSA-N	1	0	370.497	1.470	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC1(C[NH2+]Cc2ncnn2C)CC1	ZINC001167421951	774559283	/nfs/dbraw/zinc/55/92/83/774559283.db2.gz	CXUAXZMDYNXAGE-RDJZCZTQSA-N	1	0	361.490	1.563	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2C2CC2)CC1	ZINC001167428339	774596018	/nfs/dbraw/zinc/59/60/18/774596018.db2.gz	JKRKVEGSFMLIHC-DLBZAZTESA-N	1	0	360.502	1.671	20	30		FDEDRO
CC(=O)Nc1cccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1	ZINC000275935464	774702238	/nfs/dbraw/zinc/70/22/38/774702238.db2.gz	WJOYEHZVXXRFGR-UHFFFAOYSA-N	1	0	359.430	1.277	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1C#N	ZINC000275952594	774743553	/nfs/dbraw/zinc/74/35/53/774743553.db2.gz	ZXIWLOHMQZTCDO-ROUUACIJSA-N	1	0	370.453	1.299	20	30		FDEDRO
C[NH+]=C(NCCC1CCCCC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1	ZINC000261705513	774863579	/nfs/dbraw/zinc/86/35/79/774863579.db2.gz	GSILNTIJPKQHGO-IBGZPJMESA-N	1	0	363.506	1.842	20	30		FDEDRO
C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCCCS2(=O)=O)C[C@H]1C	ZINC001104422479	783222482	/nfs/dbraw/zinc/22/24/82/783222482.db2.gz	UZTLQMYEZYHPIQ-HZPDHXFCSA-N	1	0	357.520	1.062	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CN2CCCCS2(=O)=O)C[C@H]1C	ZINC001104422568	783224840	/nfs/dbraw/zinc/22/48/40/783224840.db2.gz	YYWUHQLZDUALNI-IAGOWNOFSA-N	1	0	371.547	1.452	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H](C[NH2+]C[C@H]2CCNC(=O)CC2)C1	ZINC001087144084	775228808	/nfs/dbraw/zinc/22/88/08/775228808.db2.gz	XXMNDXQBFYZMOQ-INMHGKMJSA-N	1	0	371.485	1.633	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CC=CCC4)[C@@H]3C2)CC1	ZINC000971282795	775682109	/nfs/dbraw/zinc/68/21/09/775682109.db2.gz	YFVWHOLNLBJUCZ-DFQSSKMNSA-N	1	0	369.509	1.747	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cnc3n[nH]cc3c2)C[C@H]1C	ZINC001104335973	775697775	/nfs/dbraw/zinc/69/77/75/775697775.db2.gz	ZFJCNPHXXVSZPO-HUUCEWRRSA-N	1	0	357.458	1.848	20	30		FDEDRO
Cc1nc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)c(C)s1	ZINC001104342568	775913218	/nfs/dbraw/zinc/91/32/18/775913218.db2.gz	WLTMVIHINHADCS-BXUZGUMPSA-N	1	0	363.487	1.088	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000276162277	776189458	/nfs/dbraw/zinc/18/94/58/776189458.db2.gz	WBDSJXPCOWKHIP-ZFWWWQNUSA-N	1	0	361.417	1.717	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@]2(C)CCNC(=O)C2)C[C@H]1C	ZINC001104348388	776274886	/nfs/dbraw/zinc/27/48/86/776274886.db2.gz	FLQPXYFGPIBFHE-GPMSIDNRSA-N	1	0	351.491	1.180	20	30		FDEDRO
[NH2+]=C(NCC1(c2ccc(F)cc2F)CC1)N1CCN(c2ncccn2)CC1	ZINC000261890376	776418361	/nfs/dbraw/zinc/41/83/61/776418361.db2.gz	SWHUUGMFQUQDRV-UHFFFAOYSA-N	1	0	372.423	1.923	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnc(C4CC4)[nH]c3=O)[C@H]2C1	ZINC001083217286	776470978	/nfs/dbraw/zinc/47/09/78/776470978.db2.gz	QVOGSWUCOPCIKI-JKSUJKDBSA-N	1	0	358.442	1.551	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)/C=C/C4CC4)C[C@H]32)CC1	ZINC001021884264	776498277	/nfs/dbraw/zinc/49/82/77/776498277.db2.gz	VFTCIBSBMKOWSK-OBNUAKFSSA-N	1	0	355.482	1.357	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4cccc(OC)c43)[C@H]2C1	ZINC001083217936	776601843	/nfs/dbraw/zinc/60/18/43/776601843.db2.gz	UZPAGECUDKQKER-ZIFCJYIRSA-N	1	0	354.450	1.660	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]21	ZINC001021939148	776749577	/nfs/dbraw/zinc/74/95/77/776749577.db2.gz	CDEQMTGMGJMPIY-UHOSZYNNSA-N	1	0	370.497	1.687	20	30		FDEDRO
C[C@H]1CC[N@H+](CCNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000892713859	790487319	/nfs/dbraw/zinc/48/73/19/790487319.db2.gz	ZPJVOXSLJOOKIP-HNNXBMFYSA-N	1	0	356.474	1.563	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cc1	ZINC000892714720	790489042	/nfs/dbraw/zinc/48/90/42/790489042.db2.gz	QGUMHQACJYLOAC-ZWKOTPCHSA-N	1	0	358.442	1.330	20	30		FDEDRO
C=C(C)C[C@H](CO)NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1	ZINC000891405606	776908905	/nfs/dbraw/zinc/90/89/05/776908905.db2.gz	XWNKIDGOVMFORR-MRXNPFEDSA-N	1	0	363.458	1.317	20	30		FDEDRO
Cc1nsc(N(C)C(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c1C#N	ZINC000891424026	777014784	/nfs/dbraw/zinc/01/47/84/777014784.db2.gz	QDFCAUKZUKCGQD-DZGCQCFKSA-N	1	0	358.471	1.755	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21	ZINC001022008619	777050048	/nfs/dbraw/zinc/05/00/48/777050048.db2.gz	FDAAYAMAPDSVPS-XYJFISCASA-N	1	0	369.469	1.434	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2cn(C)nn2)C1	ZINC001075420955	777055244	/nfs/dbraw/zinc/05/52/44/777055244.db2.gz	CLOCJFBHOLJJRF-NVXWUHKLSA-N	1	0	357.433	1.976	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(N)=O)C2)cc1	ZINC001104360608	777275701	/nfs/dbraw/zinc/27/57/01/777275701.db2.gz	QQLFLMWQVGKTSZ-HLLBOEOZSA-N	1	0	359.470	1.813	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N3CCC3)C2)cc1	ZINC001112505703	777336251	/nfs/dbraw/zinc/33/62/51/777336251.db2.gz	CGYHVWUMAWTZMH-UGKGYDQZSA-N	1	0	365.477	1.732	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cnnn2C)[C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC001087159726	777561993	/nfs/dbraw/zinc/56/19/93/777561993.db2.gz	DSIJIUNTCYJRPN-CJNGLKHVSA-N	1	0	370.432	1.856	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2cnnn2C)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC001087160712	777798603	/nfs/dbraw/zinc/79/86/03/777798603.db2.gz	YVSHMVUGWCLORW-PBHICJAKSA-N	1	0	352.442	1.717	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1	ZINC001022099248	777906977	/nfs/dbraw/zinc/90/69/77/777906977.db2.gz	GTGIBPSXDWZOTN-SIRPWMCASA-N	1	0	370.515	1.029	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1	ZINC001022100033	777920569	/nfs/dbraw/zinc/92/05/69/777920569.db2.gz	XBGBTBPUAKDTCG-UUAJXVIYSA-N	1	0	370.515	1.029	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nccn2C(F)F)C1	ZINC001022100090	777921843	/nfs/dbraw/zinc/92/18/43/777921843.db2.gz	YUMSTKVEUPNHPC-RQJABVFESA-N	1	0	354.401	1.996	20	30		FDEDRO
COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3c(c2)ncn3C)C[C@H]1C	ZINC001104367272	777934947	/nfs/dbraw/zinc/93/49/47/777934947.db2.gz	NRJOPEVANXNWCM-SJLPKXTDSA-N	1	0	368.481	1.911	20	30		FDEDRO
C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@H]1C	ZINC001104368385	777977889	/nfs/dbraw/zinc/97/78/89/777977889.db2.gz	OCSQANWMNNZUIT-HLLBOEOZSA-N	1	0	356.532	1.850	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1	ZINC001022159895	778455088	/nfs/dbraw/zinc/45/50/88/778455088.db2.gz	MQRLTGVYKFVMKE-FHLIZLRMSA-N	1	0	354.454	1.581	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1	ZINC001104375220	778588851	/nfs/dbraw/zinc/58/88/51/778588851.db2.gz	BHGFHUJDYNAMLE-ATZDWAIDSA-N	1	0	368.481	1.659	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)C[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)cc1	ZINC001022212140	778633727	/nfs/dbraw/zinc/63/37/27/778633727.db2.gz	ZUHMDBIUZZGSGA-YZGWKJHDSA-N	1	0	365.477	1.683	20	30		FDEDRO
C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1	ZINC000668510860	778980865	/nfs/dbraw/zinc/98/08/65/778980865.db2.gz	CGBHQVQFSLKVCE-ROUUACIJSA-N	1	0	364.534	1.381	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]([N@H+](C)Cc3ccc(C#N)s3)C2)O1	ZINC000971781675	779069122	/nfs/dbraw/zinc/06/91/22/779069122.db2.gz	LXKDJOPZAHPHDP-JKIFEVAISA-N	1	0	362.499	1.372	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)cn1	ZINC001022294532	779197548	/nfs/dbraw/zinc/19/75/48/779197548.db2.gz	KVNQDZMWIJJHRJ-PKOBYXMFSA-N	1	0	366.465	1.078	20	30		FDEDRO
C[NH+]1CCC(CC(=O)N2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)CC1	ZINC000971874843	780380141	/nfs/dbraw/zinc/38/01/41/780380141.db2.gz	LOMMGYKAHKKOMD-CRAIPNDOSA-N	1	0	369.469	1.291	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1	ZINC001022475477	780542742	/nfs/dbraw/zinc/54/27/42/780542742.db2.gz	BGUSOGKQFLSHBY-BHNDVYRESA-N	1	0	373.428	1.486	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)[N@H+](C)C1	ZINC000329012713	780864690	/nfs/dbraw/zinc/86/46/90/780864690.db2.gz	IUROKJXEULLUPS-SUNYJGFJSA-N	1	0	360.414	1.962	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCNC1=O)C2	ZINC001112508639	781008535	/nfs/dbraw/zinc/00/85/35/781008535.db2.gz	OMGFNQDOAYHEQL-ZENOOKHLSA-N	1	0	370.291	1.249	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)n2cccn2)C[C@H]1c1ccccc1	ZINC001211535394	781247831	/nfs/dbraw/zinc/24/78/31/781247831.db2.gz	COBGZJXOHHLGFK-YZGWKJHDSA-N	1	0	366.465	1.678	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cn4nccc4nc3C)[C@H]2C1	ZINC001083236581	781485165	/nfs/dbraw/zinc/48/51/65/781485165.db2.gz	KNMDSNMIJYTQEU-DLBZAZTESA-N	1	0	355.442	1.529	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2c3ccccc3OC[C@H]2CO)cc1	ZINC000934212050	781604219	/nfs/dbraw/zinc/60/42/19/781604219.db2.gz	OXBBQQJDZIRZCE-CBGDNZLLSA-N	1	0	368.433	1.824	20	30		FDEDRO
C=CCCn1cc(C[NH2+]CCN2CCN(c3ccc(F)cc3)CC2)nn1	ZINC000657305185	781621427	/nfs/dbraw/zinc/62/14/27/781621427.db2.gz	LMOOPSOKSWFGQG-UHFFFAOYSA-N	1	0	358.465	1.905	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(-c4nc[nH]n4)cc3)[C@H]2C1	ZINC001083239389	781781456	/nfs/dbraw/zinc/78/14/56/781781456.db2.gz	RWEPDGYMPNTGAY-ZWKOTPCHSA-N	1	0	367.453	1.963	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)c1C#N	ZINC000892282357	783361796	/nfs/dbraw/zinc/36/17/96/783361796.db2.gz	BNQQPXOGLLRFKD-HNNXBMFYSA-N	1	0	363.421	1.938	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21	ZINC000972342084	783363792	/nfs/dbraw/zinc/36/37/92/783363792.db2.gz	ITOPTGUOUVWKLF-HUUCEWRRSA-N	1	0	353.894	1.920	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@@H]3CN(Cc4ccc(C#N)cc4)C[C@@H]32)C1	ZINC001083248061	783426922	/nfs/dbraw/zinc/42/69/22/783426922.db2.gz	QFZDZPSAEDVPCS-HSALFYBXSA-N	1	0	368.481	1.312	20	30		FDEDRO
C=CCn1c([C@@H]2CCO[C@@H]2C)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000647372610	783745966	/nfs/dbraw/zinc/74/59/66/783745966.db2.gz	QKYCRLFNQMWPPM-BRWVUGGUSA-N	1	0	361.490	1.515	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)COc3ccc(OCC)cc3)[C@H]2C1	ZINC001083265526	783785212	/nfs/dbraw/zinc/78/52/12/783785212.db2.gz	CBBLUXSFOVDHGW-RBUKOAKNSA-N	1	0	360.454	1.952	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1c1ccccc1	ZINC001211629487	783814832	/nfs/dbraw/zinc/81/48/32/783814832.db2.gz	TVNDUZZFAPYJRS-RBUKOAKNSA-N	1	0	370.497	1.952	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3ccccc3O)C[C@H]21	ZINC000972834632	783901101	/nfs/dbraw/zinc/90/11/01/783901101.db2.gz	CKFHFJZMAXICQV-BPQIPLTHSA-N	1	0	367.449	1.163	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C)cc1	ZINC000658421614	784008576	/nfs/dbraw/zinc/00/85/76/784008576.db2.gz	BGRIQZYQMTUGHC-CYBMUJFWSA-N	1	0	361.446	1.389	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1	ZINC001024155715	784024670	/nfs/dbraw/zinc/02/46/70/784024670.db2.gz	YDNKJRBOQHDNEM-ARFHVFGLSA-N	1	0	351.491	1.149	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2snnc2C)C1	ZINC001024165307	784168212	/nfs/dbraw/zinc/16/82/12/784168212.db2.gz	NOERBERNHSMKDW-ZNMIVQPWSA-N	1	0	350.488	1.766	20	30		FDEDRO
N#CCSc1ccccc1NC(=O)CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000375797943	784903653	/nfs/dbraw/zinc/90/36/53/784903653.db2.gz	VXDSGZIDEMSEMH-DLBZAZTESA-N	1	0	374.510	1.772	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(C#N)c2)O1	ZINC001024506506	784967638	/nfs/dbraw/zinc/96/76/38/784967638.db2.gz	MCRZBVRVNLXBNY-LSTHTHJFSA-N	1	0	370.497	1.748	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCCN(C(=O)c3ccc[nH]3)CC2)cc1	ZINC000364526016	785081114	/nfs/dbraw/zinc/08/11/14/785081114.db2.gz	ZACJBNDOTPCBCP-QGZVFWFLSA-N	1	0	368.437	1.474	20	30		FDEDRO
C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)N1CCC(C)(O)CC1	ZINC000329917043	785147327	/nfs/dbraw/zinc/14/73/27/785147327.db2.gz	QQCGNWOIABNPEH-MRXNPFEDSA-N	1	0	361.490	1.353	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1	ZINC000364820217	785189023	/nfs/dbraw/zinc/18/90/23/785189023.db2.gz	JJIMTNCQXFAFAS-GJZGRUSLSA-N	1	0	357.458	1.796	20	30		FDEDRO
C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1	ZINC000658809554	785466963	/nfs/dbraw/zinc/46/69/63/785466963.db2.gz	CAGGYLZEMWRPDQ-SJORKVTESA-N	1	0	351.491	1.370	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)cc1	ZINC001024655752	785633131	/nfs/dbraw/zinc/63/31/31/785633131.db2.gz	BEAGQEPYQWXDAH-CEXWTWQISA-N	1	0	368.481	1.931	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]21	ZINC000978719451	805694478	/nfs/dbraw/zinc/69/44/78/805694478.db2.gz	QNPUGDUMIKBFHY-UEDWAMCQSA-N	1	0	351.450	1.943	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cc(OC)ns3)C[C@H]21	ZINC000978714813	805706131	/nfs/dbraw/zinc/70/61/31/805706131.db2.gz	HAOIQTCZGXNIRI-SUJAAXHWSA-N	1	0	363.483	1.537	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)CCc3nc(C(C)(C)C)no3)[C@H]2C1	ZINC001083272868	786579174	/nfs/dbraw/zinc/57/91/74/786579174.db2.gz	LYJKSNCRJGUFMX-LSDHHAIUSA-N	1	0	360.458	1.235	20	30		FDEDRO
C[C@@H]1CN(C)C[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2cccc(C#N)c2)O1	ZINC001024998655	787109117	/nfs/dbraw/zinc/10/91/17/787109117.db2.gz	IDTUDJDNGLWQDQ-NSISKUIASA-N	1	0	370.497	1.748	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1	ZINC000376274572	787113050	/nfs/dbraw/zinc/11/30/50/787113050.db2.gz	OUZVIYBARKJRRB-QGZVFWFLSA-N	1	0	367.457	1.361	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1	ZINC001025001835	787140407	/nfs/dbraw/zinc/14/04/07/787140407.db2.gz	ULBDGPVBTDHBDB-ZIAGYGMSSA-N	1	0	371.909	1.327	20	30		FDEDRO
N#Cc1ccc(CN2C[C@H]3OCCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)s1	ZINC001083275446	787166100	/nfs/dbraw/zinc/16/61/00/787166100.db2.gz	DMRJPOOJAQCYBL-DLBZAZTESA-N	1	0	360.483	1.127	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C(=O)N2CCC(C)CC2)C[C@H]1c1ccccc1	ZINC001211683755	805780497	/nfs/dbraw/zinc/78/04/97/805780497.db2.gz	AAVJESNDVDYAAF-VQTJNVASSA-N	1	0	367.493	1.852	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(Cc3cnn(CC)n3)C[C@H]21	ZINC000978827881	805803395	/nfs/dbraw/zinc/80/33/95/805803395.db2.gz	KAZLJONGUZQOMT-TXTZMMAHSA-N	1	0	359.474	1.073	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCCOC)C2)nn1	ZINC001211684309	805808289	/nfs/dbraw/zinc/80/82/89/805808289.db2.gz	RESLVRQEPZEPIV-ZWKOTPCHSA-N	1	0	369.469	1.698	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cc(C)ncn3)C[C@H]21	ZINC000978834514	805816163	/nfs/dbraw/zinc/81/61/63/805816163.db2.gz	RLVUOTMZHFYAOC-FSGKZVOOSA-N	1	0	370.497	1.950	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1	ZINC000978852006	805830172	/nfs/dbraw/zinc/83/01/72/805830172.db2.gz	GLGGCULCNQDYEF-ZBRFXRBCSA-N	1	0	363.502	1.320	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNS(C)(=O)=O)C1	ZINC001104562854	787918963	/nfs/dbraw/zinc/91/89/63/787918963.db2.gz	HCWSSYRDIOFECB-ARFHVFGLSA-N	1	0	359.536	1.212	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCNC2=O)C1	ZINC001104563608	787925063	/nfs/dbraw/zinc/92/50/63/787925063.db2.gz	OUBJPVHXTUAXPR-GVDBMIGSSA-N	1	0	350.507	1.688	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1	ZINC000978873079	805838870	/nfs/dbraw/zinc/83/88/70/805838870.db2.gz	YREMSGUONYMLID-GJGATLCTSA-N	1	0	363.502	1.320	20	30		FDEDRO
C[C@]1(CNC(=O)NCCn2cnc(C#N)n2)CC[N@H+](Cc2ccccc2)C1	ZINC000376498483	788071034	/nfs/dbraw/zinc/07/10/34/788071034.db2.gz	XNZSJIUSTVAKEV-LJQANCHMSA-N	1	0	367.457	1.361	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1C	ZINC001104578080	788372601	/nfs/dbraw/zinc/37/26/01/788372601.db2.gz	IFDIERKRKNUDPX-ZIAGYGMSSA-N	1	0	357.445	1.798	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1	ZINC000973323994	788556769	/nfs/dbraw/zinc/55/67/69/788556769.db2.gz	RVYFXVWDPPAIQV-TXTZMMAHSA-N	1	0	363.502	1.605	20	30		FDEDRO
C[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1)c1ccco1	ZINC001112528698	805904695	/nfs/dbraw/zinc/90/46/95/805904695.db2.gz	MJJKDQMQJQDYTF-DOXZYTNZSA-N	1	0	358.442	1.241	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)c1ccco1)C2	ZINC001112528596	805907110	/nfs/dbraw/zinc/90/71/10/805907110.db2.gz	IURSMINFBYRHCU-FTRWYGJKSA-N	1	0	357.454	1.351	20	30		FDEDRO
C=CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCNC(C)=O)C1	ZINC001104607117	788848964	/nfs/dbraw/zinc/84/89/64/788848964.db2.gz	KKYHUJLVIMCQSB-SJLPKXTDSA-N	1	0	353.507	1.570	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1CC[NH2+]Cc1ccccc1C#N	ZINC001104613333	788891447	/nfs/dbraw/zinc/89/14/47/788891447.db2.gz	KVMKFVJHBAPSIH-RHSMWYFYSA-N	1	0	354.454	1.398	20	30		FDEDRO
Cc1cc(C)cc(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)c1	ZINC001104619846	788922422	/nfs/dbraw/zinc/92/24/22/788922422.db2.gz	PBYUAXPXLICENO-IEBWSBKVSA-N	1	0	370.497	1.560	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1c1ccccc1	ZINC001211687941	805916457	/nfs/dbraw/zinc/91/64/57/805916457.db2.gz	HWHKYDWRGHBDKX-FUHWJXTLSA-N	1	0	355.442	1.216	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2conc2CC)C[C@H]1C	ZINC001104645684	789136570	/nfs/dbraw/zinc/13/65/70/789136570.db2.gz	MUGZSCBAGMDHRJ-RBSFLKMASA-N	1	0	362.474	1.616	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC(=O)NC)C2)C1	ZINC001104652756	789175373	/nfs/dbraw/zinc/17/53/73/789175373.db2.gz	OYLIGWPKHZJURW-QLFBSQMISA-N	1	0	364.490	1.261	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCN3CCCC3=O)C2)c1	ZINC001104659419	789182067	/nfs/dbraw/zinc/18/20/67/789182067.db2.gz	KGWGQXFOLRHAMO-SJLPKXTDSA-N	1	0	368.481	1.373	20	30		FDEDRO
C=CCNC(=O)CNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OCC)cc1	ZINC000659587834	789239641	/nfs/dbraw/zinc/23/96/41/789239641.db2.gz	KNCDOMOWNNASPT-IRXDYDNUSA-N	1	0	360.458	1.132	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)NC(=O)C(C)(C)C)C[C@H]1c1ccccc1	ZINC001211646771	789262285	/nfs/dbraw/zinc/26/22/85/789262285.db2.gz	KGJGXWHAVILHGE-BPQIPLTHSA-N	1	0	355.482	1.755	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1CC[NH2+]CC#Cc1ccccc1	ZINC001104670028	789277638	/nfs/dbraw/zinc/27/76/38/789277638.db2.gz	OFVZZUAIVHMLKZ-SFGWALBWSA-N	1	0	367.493	1.639	20	30		FDEDRO
C=CC[C@H]1CCCN(C(=O)NC2CCN(C(=O)CCC[NH2+]C)CC2)C1	ZINC000659626537	789295056	/nfs/dbraw/zinc/29/50/56/789295056.db2.gz	KWQWASDAVCRSDC-INIZCTEOSA-N	1	0	350.507	1.975	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(OC)nn2)C1	ZINC001104704279	789553541	/nfs/dbraw/zinc/55/35/41/789553541.db2.gz	PZKLVWLQBSYSQL-AHCXZYCDSA-N	1	0	374.485	1.651	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc3c(c2)CCO3)C[C@H]1C	ZINC001104711410	789650442	/nfs/dbraw/zinc/65/04/42/789650442.db2.gz	ISJQUTLWGGURJN-CRAIPNDOSA-N	1	0	369.465	1.059	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000979025978	805985502	/nfs/dbraw/zinc/98/55/02/805985502.db2.gz	YJIOSRVQYGTFKL-SIUPPRGNSA-N	1	0	368.437	1.550	20	30		FDEDRO
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1	ZINC000415005084	791198397	/nfs/dbraw/zinc/19/83/97/791198397.db2.gz	OTTRJUNQDQUMCV-OAHLLOKOSA-N	1	0	373.457	1.664	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1	ZINC000415015654	791203577	/nfs/dbraw/zinc/20/35/77/791203577.db2.gz	BAQTZONLAPIZMP-UHFFFAOYSA-N	1	0	374.485	1.334	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC2)c1C#N	ZINC000472676594	791225733	/nfs/dbraw/zinc/22/57/33/791225733.db2.gz	WJBBGOVLKGSMKY-UHFFFAOYSA-N	1	0	366.469	1.624	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2c(C)nn(C)c2OC)C[C@H]1C	ZINC001104744660	791247708	/nfs/dbraw/zinc/24/77/08/791247708.db2.gz	VLQCWRLJEXRAOC-GDBMZVCRSA-N	1	0	364.490	1.628	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1	ZINC000415073669	791349702	/nfs/dbraw/zinc/34/97/02/791349702.db2.gz	NUFXZHSHYHIVBM-KDOFPFPSSA-N	1	0	371.441	1.335	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1	ZINC000365552790	791503282	/nfs/dbraw/zinc/50/32/82/791503282.db2.gz	ZOLNHPLDMANHSA-LZLYRXPVSA-N	1	0	352.438	1.748	20	30		FDEDRO
Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)C2=O)cc1	ZINC000330108684	791875273	/nfs/dbraw/zinc/87/52/73/791875273.db2.gz	NYJSHKRQWICDCE-AEFFLSMTSA-N	1	0	356.470	1.836	20	30		FDEDRO
C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	ZINC000415326537	791930704	/nfs/dbraw/zinc/93/07/04/791930704.db2.gz	ALJHDJTXETYFSB-ZDUSSCGKSA-N	1	0	365.393	1.504	20	30		FDEDRO
COC(=O)[C@@H](Nc1ccn(C2CC[NH+](C)CC2)n1)c1cccc(C#N)c1	ZINC000377502688	791980975	/nfs/dbraw/zinc/98/09/75/791980975.db2.gz	NXENJSWYNPWCDW-SFHVURJKSA-N	1	0	353.426	2.348	20	30		FDEDRO
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CC[C@H]([NH3+])C1	ZINC000415374232	792127537	/nfs/dbraw/zinc/12/75/37/792127537.db2.gz	VBZNNAZRXDMSLX-AWEZNQCLSA-N	1	0	365.393	1.552	20	30		FDEDRO
CN1CCC[C@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1=O	ZINC000294611105	792163750	/nfs/dbraw/zinc/16/37/50/792163750.db2.gz	ZZHHCSKDVKALEH-SFHVURJKSA-N	1	0	354.454	1.461	20	30		FDEDRO
C=CCN(C(=O)Cn1cccnc1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000377572679	792244927	/nfs/dbraw/zinc/24/49/27/792244927.db2.gz	KUUSAPFYUCRVEX-SFHVURJKSA-N	1	0	352.438	1.532	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1	ZINC000415458664	792303835	/nfs/dbraw/zinc/30/38/35/792303835.db2.gz	YRORNBRKARLNQT-UKRRQHHQSA-N	1	0	374.441	1.108	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N[C@@H]3C[NH2+]CCC3(F)F)n2)c(F)c1	ZINC000415459709	792307191	/nfs/dbraw/zinc/30/71/91/792307191.db2.gz	MPFUIZXNRFCZBA-CYBMUJFWSA-N	1	0	364.331	2.002	20	30		FDEDRO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)cc1	ZINC000377653541	792424571	/nfs/dbraw/zinc/42/45/71/792424571.db2.gz	MNJMXMABXRKSHU-JZXOWHBKSA-N	1	0	354.454	1.698	20	30		FDEDRO
CC(C)[C@H](F)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC#N)C1	ZINC001211650345	792433479	/nfs/dbraw/zinc/43/34/79/792433479.db2.gz	DEKIJRDKPXXKIH-JZXOWHBKSA-N	1	0	360.433	1.204	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1	ZINC000377664847	792454513	/nfs/dbraw/zinc/45/45/13/792454513.db2.gz	BIHGYULBCXDTMO-SFHVURJKSA-N	1	0	371.485	1.509	20	30		FDEDRO
C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000415536028	792482902	/nfs/dbraw/zinc/48/29/02/792482902.db2.gz	ZKWUTCQJBRNWKO-DOTOQJQBSA-N	1	0	362.433	1.616	20	30		FDEDRO
N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)NCC1([NH3+])CCC1	ZINC000415565960	792538119	/nfs/dbraw/zinc/53/81/19/792538119.db2.gz	VGQRROQROSHNCO-UHFFFAOYSA-N	1	0	365.393	1.682	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCOc3cc(F)ccc3C2)CC1	ZINC000636676987	806169558	/nfs/dbraw/zinc/16/95/58/806169558.db2.gz	NQFOARJPBHUAFO-UHFFFAOYSA-N	1	0	361.417	1.313	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1=O	ZINC001025919458	792624864	/nfs/dbraw/zinc/62/48/64/792624864.db2.gz	KSSVDJNRRLMGJT-AFRUPAAZSA-N	1	0	357.498	1.646	20	30		FDEDRO
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)c1	ZINC000415672655	792784539	/nfs/dbraw/zinc/78/45/39/792784539.db2.gz	FORXUBVMMATLPV-NSHDSACASA-N	1	0	366.368	1.686	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)cc1	ZINC000728711644	792790694	/nfs/dbraw/zinc/79/06/94/792790694.db2.gz	MCMWOHOHHSOKEA-AWEZNQCLSA-N	1	0	366.421	1.482	20	30		FDEDRO
C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3ccccc3C)C2)nn1	ZINC001105342414	806188168	/nfs/dbraw/zinc/18/81/68/806188168.db2.gz	CQVWRIAEDKDXNG-VQTJNVASSA-N	1	0	363.465	1.886	20	30		FDEDRO
COC[C@]1(CNC(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CCC[NH2+]1	ZINC000415710632	792853580	/nfs/dbraw/zinc/85/35/80/792853580.db2.gz	QZOBZTVNFISCRQ-LJQANCHMSA-N	1	0	374.441	1.169	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1C#N	ZINC000415734864	792898534	/nfs/dbraw/zinc/89/85/34/792898534.db2.gz	YIFBEQPXUVFVST-HXUWFJFHSA-N	1	0	370.453	1.886	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1	ZINC000415743884	792913897	/nfs/dbraw/zinc/91/38/97/792913897.db2.gz	MDWHUULUCFIZRO-YOEHRIQHSA-N	1	0	370.453	1.387	20	30		FDEDRO
O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1	ZINC000415772919	792956513	/nfs/dbraw/zinc/95/65/13/792956513.db2.gz	UPEGVVGFSJVGLD-PXNSSMCTSA-N	1	0	374.444	1.630	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1C#N	ZINC000415772363	792957520	/nfs/dbraw/zinc/95/75/20/792957520.db2.gz	TVGDIOUWBLAJBF-CJNGLKHVSA-N	1	0	356.426	1.494	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1	ZINC000377895630	792999860	/nfs/dbraw/zinc/99/98/60/792999860.db2.gz	JKSQZRGNVMSNDU-ROUUACIJSA-N	1	0	358.442	1.178	20	30		FDEDRO
N#Cc1cc(F)ccc1NC(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3	ZINC000415859659	793200845	/nfs/dbraw/zinc/20/08/45/793200845.db2.gz	MYWMMFFAODXLKO-UHFFFAOYSA-N	1	0	370.428	1.906	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1	ZINC000415862439	793207732	/nfs/dbraw/zinc/20/77/32/793207732.db2.gz	QACNHFANTUJHHP-KRWDZBQOSA-N	1	0	370.453	1.742	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2cscn2)C[C@H]1C	ZINC001104761043	793531281	/nfs/dbraw/zinc/53/12/81/793531281.db2.gz	RIFBQNBNNJANAG-QLFBSQMISA-N	1	0	364.515	1.451	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cncn3C)C2)nn1	ZINC001104777441	793598589	/nfs/dbraw/zinc/59/85/89/793598589.db2.gz	KPXSFKASSRBEEW-HZPDHXFCSA-N	1	0	371.489	1.476	20	30		FDEDRO
C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCN(C)S2(=O)=O)C[C@H]1C	ZINC001104782343	793631076	/nfs/dbraw/zinc/63/10/76/793631076.db2.gz	WBQNJQQKUSGQHH-BZUAXINKSA-N	1	0	357.520	1.061	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccn(C)n2)C1	ZINC001104782746	793633684	/nfs/dbraw/zinc/63/36/84/793633684.db2.gz	REGVJRLOSFQDNN-FPAYPSAMSA-N	1	0	360.502	1.976	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1	ZINC001104786542	793658624	/nfs/dbraw/zinc/65/86/24/793658624.db2.gz	QVYRQXAVTYUZSD-LZQZEXGQSA-N	1	0	368.481	1.801	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4ccnn4)c3)[C@H]2C1	ZINC001083292206	793829976	/nfs/dbraw/zinc/82/99/76/793829976.db2.gz	VBIBUOYEDXNMDS-ZWKOTPCHSA-N	1	0	353.426	1.369	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2NC(=O)c3ccccc32)C[C@H]1C	ZINC001104820793	793898032	/nfs/dbraw/zinc/89/80/32/793898032.db2.gz	KPUGZEZVLZXAQO-GPMSIDNRSA-N	1	0	353.466	1.959	20	30		FDEDRO
C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)C[C@@H](C)O2	ZINC001098610945	794273634	/nfs/dbraw/zinc/27/36/34/794273634.db2.gz	RTROZQLPMOOYSP-KZNAEPCWSA-N	1	0	365.518	1.364	20	30		FDEDRO
C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2c[nH]nc2-c2cnn(C)c2)C[C@H]1C	ZINC001104895610	794278974	/nfs/dbraw/zinc/27/89/74/794278974.db2.gz	BWXWHQSCAQYRJD-HUUCEWRRSA-N	1	0	354.458	1.521	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cc3c([nH]2)CCC3)C[C@H]1C	ZINC001104898708	794295342	/nfs/dbraw/zinc/29/53/42/794295342.db2.gz	RBQQDOMMQHAKEL-HLLBOEOZSA-N	1	0	370.497	1.329	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CCCC(=O)NCCC)C[C@H]1C	ZINC001104920220	794382768	/nfs/dbraw/zinc/38/27/68/794382768.db2.gz	LEIQTOBMBBIBLO-QZTJIDSGSA-N	1	0	367.534	1.960	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnnn3C)C2)cn1	ZINC001104927355	794429778	/nfs/dbraw/zinc/42/97/78/794429778.db2.gz	DLBXAIUDDQFRSM-GDBMZVCRSA-N	1	0	352.442	1.079	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cc(CC)on2)C[C@H]1C	ZINC001104927632	794435312	/nfs/dbraw/zinc/43/53/12/794435312.db2.gz	NJYOPFUPWXGFMJ-QLFBSQMISA-N	1	0	362.474	1.616	20	30		FDEDRO
COc1ccsc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1	ZINC001104936335	794470650	/nfs/dbraw/zinc/47/06/50/794470650.db2.gz	OZMMBHGDHYFOJJ-CHWSQXEVSA-N	1	0	364.471	1.084	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)C)C[C@H]1C	ZINC001104939624	794484209	/nfs/dbraw/zinc/48/42/09/794484209.db2.gz	ZTUHKCKCYVMGEJ-HZPDHXFCSA-N	1	0	350.507	1.869	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCc2ccccc2)C[C@H]1C	ZINC001104944871	794506426	/nfs/dbraw/zinc/50/64/26/794506426.db2.gz	ZMCVMTGPNNMXBW-QWFCFKBJSA-N	1	0	369.509	1.831	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2ccc(OC)cc2)C[C@H]1C	ZINC001104946126	794511972	/nfs/dbraw/zinc/51/19/72/794511972.db2.gz	NVPKEJNRXLISAR-SJLPKXTDSA-N	1	0	371.481	1.061	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cccc(N(C)C)c2)C[C@H]1C	ZINC001104948781	794526774	/nfs/dbraw/zinc/52/67/74/794526774.db2.gz	ODEFTKXGLNDMNA-SJLPKXTDSA-N	1	0	370.497	1.190	20	30		FDEDRO
C[C@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1)C(C)(C)C	ZINC001104949052	794527713	/nfs/dbraw/zinc/52/77/13/794527713.db2.gz	CISBOMGIFHJFIY-BZUAXINKSA-N	1	0	350.507	1.773	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@@H]4CCCCC[C@H]43)CC2)o1	ZINC000363918600	794562373	/nfs/dbraw/zinc/56/23/73/794562373.db2.gz	DJWOLIOVUUYJDF-DOTOQJQBSA-N	1	0	357.458	1.768	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1	ZINC000974163445	794579097	/nfs/dbraw/zinc/57/90/97/794579097.db2.gz	QXXBTNWMRYGKHN-ILOCAZANSA-N	1	0	361.486	1.073	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C2)CCOCC1	ZINC001104959552	794593567	/nfs/dbraw/zinc/59/35/67/794593567.db2.gz	GUQNEJGWIKPNSO-QZTJIDSGSA-N	1	0	368.518	1.442	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1	ZINC000974182162	794649797	/nfs/dbraw/zinc/64/97/97/794649797.db2.gz	VOEIGWZADRTYNB-RZFLPCETSA-N	1	0	363.502	1.605	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000974192965	794719431	/nfs/dbraw/zinc/71/94/31/794719431.db2.gz	WHNHUJZJSFIJHV-VVLHAWIVSA-N	1	0	358.486	1.781	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1F	ZINC001104986518	794742626	/nfs/dbraw/zinc/74/26/26/794742626.db2.gz	HBNSHVJZEFGPHX-RHSMWYFYSA-N	1	0	370.432	1.563	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@H]1C	ZINC001104991948	794759518	/nfs/dbraw/zinc/75/95/18/794759518.db2.gz	PJGOAPWQIXERKZ-RBSFLKMASA-N	1	0	359.474	1.618	20	30		FDEDRO
CC#CC[NH2+]CC[C@@H]1CN(C(=O)Cn2c(=O)oc3ccccc32)C[C@H]1C	ZINC001105000277	794826771	/nfs/dbraw/zinc/82/67/71/794826771.db2.gz	JIMLEOFVRDSSKZ-HZPDHXFCSA-N	1	0	355.438	1.692	20	30		FDEDRO
C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)C(=O)Nc2cc(C)on2)C[C@H]1C	ZINC001105005182	794843437	/nfs/dbraw/zinc/84/34/37/794843437.db2.gz	GVIPHIXPYPPWHX-UKRRQHHQSA-N	1	0	364.446	1.198	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000511594908	794857497	/nfs/dbraw/zinc/85/74/97/794857497.db2.gz	KUVZCQUFUFDLFW-FUHWJXTLSA-N	1	0	359.470	1.284	20	30		FDEDRO
C=CCN(CCOC)C(=O)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000511594909	794858199	/nfs/dbraw/zinc/85/81/99/794858199.db2.gz	KUVZCQUFUFDLFW-SJLPKXTDSA-N	1	0	359.470	1.284	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C)nc2C)C[C@H]1C	ZINC001105048823	795062481	/nfs/dbraw/zinc/06/24/81/795062481.db2.gz	IXGQIXKOGNWQOD-RHSMWYFYSA-N	1	0	358.486	1.688	20	30		FDEDRO
C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2(CC#C)CCCCC2)C[C@H]1C	ZINC001105084208	795189184	/nfs/dbraw/zinc/18/91/84/795189184.db2.gz	NKKGUVHXBRHLEP-RTBURBONSA-N	1	0	371.525	1.784	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCCCCOCC)C[C@H]1C	ZINC001105085777	795208378	/nfs/dbraw/zinc/20/83/78/795208378.db2.gz	DJTGZFYDHFSAPK-QZTJIDSGSA-N	1	0	367.534	1.960	20	30		FDEDRO
C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cnc(CC)s2)C[C@H]1C	ZINC001105090739	795237721	/nfs/dbraw/zinc/23/77/21/795237721.db2.gz	IIQCWTVMBWCQCS-ZIAGYGMSSA-N	1	0	364.515	1.696	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCS(C)(=O)=O)C1	ZINC001105091167	795239762	/nfs/dbraw/zinc/23/97/62/795239762.db2.gz	SZYWEIURBCFIJF-BZUAXINKSA-N	1	0	360.520	1.086	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNC(=O)C2CC2)C1	ZINC001105091306	795240151	/nfs/dbraw/zinc/24/01/51/795240151.db2.gz	YRFKDZIKISVBMK-BFYDXBDKSA-N	1	0	351.491	1.178	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)CCCC1	ZINC001105115307	795330092	/nfs/dbraw/zinc/33/00/92/795330092.db2.gz	ASOMEVWXCBHQHJ-IAGOWNOFSA-N	1	0	360.502	1.837	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCC([NH2+]Cc2ncnn2CC)CC1	ZINC001026496034	795456050	/nfs/dbraw/zinc/45/60/50/795456050.db2.gz	GIBISEDUCSEUSW-BACDZXNISA-N	1	0	361.490	1.796	20	30		FDEDRO
CCC([NH3+])(CC)CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000418082089	795518689	/nfs/dbraw/zinc/51/86/89/795518689.db2.gz	WMHQMTQCOQSDPA-MRXNPFEDSA-N	1	0	357.458	1.476	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1c1ccccc1	ZINC001211655578	795707123	/nfs/dbraw/zinc/70/71/23/795707123.db2.gz	PBHNHWYMLQQNPG-GBESFXJTSA-N	1	0	371.481	1.252	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCCOC)C1	ZINC001112092473	795716325	/nfs/dbraw/zinc/71/63/25/795716325.db2.gz	BDJDTYDBCOJFLT-UMVBOHGHSA-N	1	0	352.397	1.719	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2ccco2)C[C@H]1c1ccccc1	ZINC001211692945	806449913	/nfs/dbraw/zinc/44/99/13/806449913.db2.gz	UCSGIMDYTYTSDD-RBUKOAKNSA-N	1	0	367.449	1.709	20	30		FDEDRO
COc1ccc(-c2cc(C(=O)NCC#CC[NH+](C)C)nn2C)cc1OC	ZINC000827972128	795884612	/nfs/dbraw/zinc/88/46/12/795884612.db2.gz	SHCUXXDTNJYZKD-UHFFFAOYSA-N	1	0	356.426	1.399	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1	ZINC000974443010	795946421	/nfs/dbraw/zinc/94/64/21/795946421.db2.gz	FEANYIRNZCSQLJ-ZIFCJYIRSA-N	1	0	370.497	1.831	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCOC(C)C)C1	ZINC001112100579	796020317	/nfs/dbraw/zinc/02/03/17/796020317.db2.gz	FPEGRNXDHPWAPS-RRFJBIMHSA-N	1	0	364.408	1.819	20	30		FDEDRO
C=C(C)Cn1c(-c2ncon2)nnc1N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1	ZINC000909330586	796037524	/nfs/dbraw/zinc/03/75/24/796037524.db2.gz	FODJPTJKEUYCAV-OKILXGFUSA-N	1	0	361.450	1.450	20	30		FDEDRO
CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21	ZINC000974482628	796048685	/nfs/dbraw/zinc/04/86/85/796048685.db2.gz	VRJZUPMBGFPBBE-GUDVDZBRSA-N	1	0	357.498	1.580	20	30		FDEDRO
C=C(C)Cn1c(-c2ncon2)nnc1N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000909336138	796253981	/nfs/dbraw/zinc/25/39/81/796253981.db2.gz	USXVCSXFKQSAMQ-UHFFFAOYSA-N	1	0	372.477	1.120	20	30		FDEDRO
C=CCn1cccc1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000979942636	806617503	/nfs/dbraw/zinc/61/75/03/806617503.db2.gz	FDCXOAGUFSFMIO-QBPKDAKJSA-N	1	0	358.486	1.639	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1	ZINC000980088501	806745023	/nfs/dbraw/zinc/74/50/23/806745023.db2.gz	WVICWALAHSIEJM-ZKXLYKBJSA-N	1	0	359.514	1.777	20	30		FDEDRO
C#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1	ZINC001087428280	806749532	/nfs/dbraw/zinc/74/95/32/806749532.db2.gz	WJMYCFGQDQFROM-QHAWAJNXSA-N	1	0	351.494	1.936	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(N)=O)C1	ZINC001112523176	799804581	/nfs/dbraw/zinc/80/45/81/799804581.db2.gz	GPKJSAUNVMBXDC-KKXDTOCCSA-N	1	0	350.463	1.002	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)C[C@@H]4CC[N@@H+](C)C4)C[C@H]32)nc1	ZINC000974668583	800023263	/nfs/dbraw/zinc/02/32/63/800023263.db2.gz	MGHWQZDXKFPABJ-YQVWRLOYSA-N	1	0	366.465	1.078	20	30		FDEDRO
COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@]34C[C@H]3COC4)C2)cc1C#N	ZINC001026854677	800033301	/nfs/dbraw/zinc/03/33/01/800033301.db2.gz	MDYYUSKWGCBJJZ-KNBMTAEXSA-N	1	0	355.438	1.541	20	30		FDEDRO
CC#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C(C)(C)C1	ZINC000974685056	800084585	/nfs/dbraw/zinc/08/45/85/800084585.db2.gz	JLTSXIBDNVZBFG-SQNIBIBYSA-N	1	0	358.486	1.738	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1c1ccccc1	ZINC001211659575	800085490	/nfs/dbraw/zinc/08/54/90/800085490.db2.gz	NKUKQFFBUMUEKL-FUHWJXTLSA-N	1	0	352.438	1.934	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)C1	ZINC001026894396	800110305	/nfs/dbraw/zinc/11/03/05/800110305.db2.gz	CSRCXGSNNBTLEK-YEWWUXTCSA-N	1	0	361.417	1.439	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4CCC4(C)C)[C@@H]3C2)CC1	ZINC000974849145	800397398	/nfs/dbraw/zinc/39/73/98/800397398.db2.gz	VPRGBYMKCAQUFS-CEXWTWQISA-N	1	0	371.525	1.827	20	30		FDEDRO
C=CC[C@]1(C(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)CCC[NH2+]1	ZINC000662569009	806847653	/nfs/dbraw/zinc/84/76/53/806847653.db2.gz	UIQFIYLWSPVPPD-RBUKOAKNSA-N	1	0	356.426	1.056	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C(C)(C)C1	ZINC000975030192	800784880	/nfs/dbraw/zinc/78/48/80/800784880.db2.gz	LVBSURFOOWGBFF-PMPSAXMXSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CN(Cc2ccnc(OC)n2)CC1(C)C	ZINC000975065589	800814482	/nfs/dbraw/zinc/81/44/82/800814482.db2.gz	PTULXVHQPOUSEW-PMPSAXMXSA-N	1	0	360.458	1.403	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@H]32)c1	ZINC000975074029	800866148	/nfs/dbraw/zinc/86/61/48/800866148.db2.gz	QTFWUFZXSDLOLD-YCEFEEMOSA-N	1	0	366.465	1.076	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cccc(C(=O)NC)c2)C1	ZINC001027075763	800890719	/nfs/dbraw/zinc/89/07/19/800890719.db2.gz	ARRSWTCLAHFOFZ-UHOSZYNNSA-N	1	0	371.481	1.575	20	30		FDEDRO
C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21	ZINC000975216198	801014701	/nfs/dbraw/zinc/01/47/01/801014701.db2.gz	YUPICQNMVAUDOU-YSVLISHTSA-N	1	0	355.442	1.044	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCC(NC(=O)C[NH+]2CCCC2)CC1	ZINC000980225953	806898543	/nfs/dbraw/zinc/89/85/43/806898543.db2.gz	YETRIZYQBWGCSK-AKSNENBUSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C[C@H](C)NC(=O)C(=O)Nc1ccc(OCCCN2CC[NH+](C)CC2)cc1	ZINC000651616655	801362667	/nfs/dbraw/zinc/36/26/67/801362667.db2.gz	IHSWPTGMAOEFDL-INIZCTEOSA-N	1	0	374.485	1.332	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)c4cc[nH]c4)[C@H]3C2)CC1	ZINC000975754286	802208413	/nfs/dbraw/zinc/20/84/13/802208413.db2.gz	IXBCNHGRDWGJLW-LPHOPBHVSA-N	1	0	368.481	1.423	20	30		FDEDRO
C=CCCOCCNC(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1	ZINC000660953755	802231376	/nfs/dbraw/zinc/23/13/76/802231376.db2.gz	CDICVQYSPICECA-IBGZPJMESA-N	1	0	360.502	1.695	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)C(C)(C)F)[C@H]3C2)CC1	ZINC000975754961	802269573	/nfs/dbraw/zinc/26/95/73/802269573.db2.gz	SSCZRICHRRECML-RDJZCZTQSA-N	1	0	363.477	1.529	20	30		FDEDRO
CC(C)[C@H](C(=O)N1CC[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@H]2C1)[NH+](C)C	ZINC000975842790	802568429	/nfs/dbraw/zinc/56/84/29/802568429.db2.gz	ZUTFTFWZHJZVFV-JCGIZDLHSA-N	1	0	371.485	1.536	20	30		FDEDRO
CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)C#CC4CC4)[C@H]3C2)CC1	ZINC000975980040	802799480	/nfs/dbraw/zinc/79/94/80/802799480.db2.gz	IWOMEBSVXMEYCG-ICSRJNTNSA-N	1	0	371.525	1.970	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C	ZINC000976289364	803164887	/nfs/dbraw/zinc/16/48/87/803164887.db2.gz	YBSGYZWLRJNELT-SOMFZHDCSA-N	1	0	361.486	1.025	20	30		FDEDRO
C[C@@]1(C#N)CN(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CCO1	ZINC000893451500	803327483	/nfs/dbraw/zinc/32/74/83/803327483.db2.gz	GDNUNAFSZVFXPJ-HXUWFJFHSA-N	1	0	372.469	1.467	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2CC=CC2)CC1	ZINC000976425329	803363230	/nfs/dbraw/zinc/36/32/30/803363230.db2.gz	RDNYMTITRXIMAE-RTBURBONSA-N	1	0	357.498	1.841	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2conc2C)C[C@H]1c1ccccc1	ZINC001211666947	803382707	/nfs/dbraw/zinc/38/27/07/803382707.db2.gz	PNKAYDJQFRWBHB-FUHWJXTLSA-N	1	0	368.437	1.483	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC000976539234	803490538	/nfs/dbraw/zinc/49/05/38/803490538.db2.gz	MMVZESHKZOOWDV-BFYDXBDKSA-N	1	0	357.458	1.528	20	30		FDEDRO
C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)CC1	ZINC000976536184	803504805	/nfs/dbraw/zinc/50/48/05/803504805.db2.gz	DRXSYCZRECEELX-HZPDHXFCSA-N	1	0	357.458	1.385	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(C#N)c2)C1	ZINC000976555082	803516873	/nfs/dbraw/zinc/51/68/73/803516873.db2.gz	FCDORRGVXDAPFA-KBRIMQKVSA-N	1	0	357.458	1.385	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C	ZINC000423185560	814983183	/nfs/dbraw/zinc/98/31/83/814983183.db2.gz	JOIQIUMOHOYUGC-SFHVURJKSA-N	1	0	356.470	1.905	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1	ZINC000423184812	814983556	/nfs/dbraw/zinc/98/35/56/814983556.db2.gz	IQQPAULVXIBHRC-OTWHNJEPSA-N	1	0	366.465	1.659	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1	ZINC000423217951	815006407	/nfs/dbraw/zinc/00/64/07/815006407.db2.gz	SWKZFUIIJZBWLC-ZBFHGGJFSA-N	1	0	374.441	1.553	20	30		FDEDRO
C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC001027463145	804318147	/nfs/dbraw/zinc/31/81/47/804318147.db2.gz	SIZNGEXBKZWGEN-MCIONIFRSA-N	1	0	350.381	1.832	20	30		FDEDRO
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(CF)CC2)C[C@H]1c1ccccc1	ZINC001211670815	804525314	/nfs/dbraw/zinc/52/53/14/804525314.db2.gz	KLVIMDDDVGVVTR-DLBZAZTESA-N	1	0	357.429	1.070	20	30		FDEDRO
C=CC[C@@]1(C(=O)NC[C@H]2CN(C)CCN2Cc2ccccc2)CCC[NH2+]1	ZINC000662941542	804590326	/nfs/dbraw/zinc/59/03/26/804590326.db2.gz	XJMIOQYZIIZHEI-FPOVZHCZSA-N	1	0	356.514	1.617	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@H]21	ZINC000977216861	804601611	/nfs/dbraw/zinc/60/16/11/804601611.db2.gz	HKWAUUQXRDPSNI-ZXXIGWHRSA-N	1	0	361.486	1.023	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](CC(C)C)OC)C2	ZINC001112526264	804604728	/nfs/dbraw/zinc/60/47/28/804604728.db2.gz	ZMRVYKSGXJDZKK-QKLQHJQFSA-N	1	0	363.502	1.015	20	30		FDEDRO
CC#CC[N@@H+]1C[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C(C)(C)C1	ZINC000977301658	804724414	/nfs/dbraw/zinc/72/44/14/804724414.db2.gz	IKLWYYSDTPCQBH-JENIJYKNSA-N	1	0	368.481	1.451	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C(C)(C)C1	ZINC000977301666	804724690	/nfs/dbraw/zinc/72/46/90/804724690.db2.gz	IKLWYYSDTPCQBH-YQVWRLOYSA-N	1	0	368.481	1.451	20	30		FDEDRO
CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NCCCCC#N)c2)CC1	ZINC000504033049	815040017	/nfs/dbraw/zinc/04/00/17/815040017.db2.gz	SHAQMDYLJJDBLL-UHFFFAOYSA-N	1	0	371.485	1.966	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC000977800580	804959604	/nfs/dbraw/zinc/95/96/04/804959604.db2.gz	QHDOYFAVOOUVLI-LSTHTHJFSA-N	1	0	367.493	1.610	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)C[N@H+](C)C1CCC1	ZINC000977806926	804970942	/nfs/dbraw/zinc/97/09/42/804970942.db2.gz	SODVSFMHRWBZAU-LNLFQRSKSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cc(OC)ccn3)C[C@H]21	ZINC000978170798	805269525	/nfs/dbraw/zinc/26/95/25/805269525.db2.gz	XEFWFLQZDKSXLY-UEDWAMCQSA-N	1	0	371.481	1.865	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@H]4c4c[nH]cn4)[C@@H]3C2)cc1	ZINC000978289024	805326660	/nfs/dbraw/zinc/32/66/60/805326660.db2.gz	FHURGICDKDAFRJ-NNIGNNQHSA-N	1	0	361.449	1.879	20	30		FDEDRO
CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCO[C@H]3c3nccn3C)[C@@H]2C1	ZINC000978291944	805342825	/nfs/dbraw/zinc/34/28/25/805342825.db2.gz	KXCKMAIOCFXVME-HSFUPAIVSA-N	1	0	356.470	1.205	20	30		FDEDRO
CC[C@@H](NC(C)=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC#CCOC)C1	ZINC001211680183	805502718	/nfs/dbraw/zinc/50/27/18/805502718.db2.gz	KKIPXDNUELCISN-XUVXKRRUSA-N	1	0	371.481	1.135	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)C(C)(F)F)C2	ZINC001112531198	806999900	/nfs/dbraw/zinc/99/99/00/806999900.db2.gz	KPWAASKLUYNBDD-GLJUWKHASA-N	1	0	355.429	1.245	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1=O	ZINC001167913816	807028108	/nfs/dbraw/zinc/02/81/08/807028108.db2.gz	VKDPRGRCFLDKIV-OTWHNJEPSA-N	1	0	371.481	1.682	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1=O	ZINC001167913815	807028202	/nfs/dbraw/zinc/02/82/02/807028202.db2.gz	VKDPRGRCFLDKIV-IPMKNSEASA-N	1	0	371.481	1.682	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1	ZINC000423558807	815114898	/nfs/dbraw/zinc/11/48/98/815114898.db2.gz	DDZVUXJUKHQBJB-YOEHRIQHSA-N	1	0	354.454	1.635	20	30		FDEDRO
C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1	ZINC000423566668	815137067	/nfs/dbraw/zinc/13/70/67/815137067.db2.gz	VJRHFOVBQLNJBV-HXUWFJFHSA-N	1	0	352.438	1.371	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1	ZINC000981188772	807669040	/nfs/dbraw/zinc/66/90/40/807669040.db2.gz	PZXOUYAEJJBJIW-LXZKKBNFSA-N	1	0	357.458	1.385	20	30		FDEDRO
COc1ccc(C#N)cc1CN1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC000981194435	807699744	/nfs/dbraw/zinc/69/97/44/807699744.db2.gz	QKKUUVQUIXISFB-VQIMIIECSA-N	1	0	370.497	1.941	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1	ZINC001087433923	807760576	/nfs/dbraw/zinc/76/05/76/807760576.db2.gz	MOHMOTLXJWSYQO-KURKYZTESA-N	1	0	356.470	1.560	20	30		FDEDRO
N#Cc1cccc(-c2cc(C(=O)NCCC[NH+]3CCC(O)CC3)on2)c1	ZINC000278938903	807830164	/nfs/dbraw/zinc/83/01/64/807830164.db2.gz	CUIFPQSAHLYROU-UHFFFAOYSA-N	1	0	354.410	1.790	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)NC[C@@H]3CCc4nccn4C3)CC2)c1	ZINC000279054030	808214168	/nfs/dbraw/zinc/21/41/68/808214168.db2.gz	YGMZZXUWVBNDTF-INIZCTEOSA-N	1	0	365.441	1.244	20	30		FDEDRO
C=CCOCCCNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1	ZINC000669209609	808390781	/nfs/dbraw/zinc/39/07/81/808390781.db2.gz	LKMKFIZABYUNPW-SJLPKXTDSA-N	1	0	359.470	1.475	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)c2oncc2C)C[C@H]1c1ccccc1	ZINC001211700692	808441927	/nfs/dbraw/zinc/44/19/27/808441927.db2.gz	PQHTXAZGCQFDPO-ZWKOTPCHSA-N	1	0	353.422	1.831	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3cnco3)C2)CC1	ZINC000981800708	808524375	/nfs/dbraw/zinc/52/43/75/808524375.db2.gz	CRLWAXRWAYRYDI-GOEBONIOSA-N	1	0	358.442	1.035	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1	ZINC000981844158	808608770	/nfs/dbraw/zinc/60/87/70/808608770.db2.gz	GUYGLICOLLTKNN-BZZMCLGOSA-N	1	0	368.481	1.418	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cccc(C(N)=O)c1	ZINC001028145656	808669097	/nfs/dbraw/zinc/66/90/97/808669097.db2.gz	VBAPAALWTWHERE-KSZLIROESA-N	1	0	357.454	1.457	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1	ZINC000669251177	809094192	/nfs/dbraw/zinc/09/41/92/809094192.db2.gz	BQLIODSRQJUNRT-KURKYZTESA-N	1	0	365.518	1.855	20	30		FDEDRO
C[C@@H](NC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1)[C@H](C)[NH3+]	ZINC000418691337	809136737	/nfs/dbraw/zinc/13/67/37/809136737.db2.gz	DPSIHZLCLMNNDQ-UONOGXRCSA-N	1	0	352.442	1.674	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CCC)NC(N)=O)C[C@H]1c1ccccc1	ZINC001211715613	809142467	/nfs/dbraw/zinc/14/24/67/809142467.db2.gz	FNQYUCWPRRRCJE-RCCFBDPRSA-N	1	0	356.470	1.431	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1	ZINC000785386670	809206308	/nfs/dbraw/zinc/20/63/08/809206308.db2.gz	VGDRFHXOMPPLSU-HNNXBMFYSA-N	1	0	361.417	1.765	20	30		FDEDRO
CC[NH2+]CCNC(=O)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	ZINC000419037809	809444595	/nfs/dbraw/zinc/44/45/95/809444595.db2.gz	SHSRMCSYSVZJMC-UHFFFAOYSA-N	1	0	358.442	1.090	20	30		FDEDRO
C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000419110763	809583741	/nfs/dbraw/zinc/58/37/41/809583741.db2.gz	ILVZKLBABCHMGF-IUODEOHRSA-N	1	0	367.371	1.287	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)N(C)C2)C[C@H]1c1ccccc1	ZINC001211732606	809808700	/nfs/dbraw/zinc/80/87/00/809808700.db2.gz	QGCRIHJFGHLSQX-GBESFXJTSA-N	1	0	353.466	1.462	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)CS(C)(=O)=O)C[C@H]1c1ccccc1	ZINC001211732578	809812568	/nfs/dbraw/zinc/81/25/68/809812568.db2.gz	PAEZALFWLOTDRT-BPQIPLTHSA-N	1	0	362.495	1.275	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C	ZINC000893947082	809829559	/nfs/dbraw/zinc/82/95/59/809829559.db2.gz	VKIHUQMFBKFOOT-KRWDZBQOSA-N	1	0	356.470	1.848	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1	ZINC000245388450	809907393	/nfs/dbraw/zinc/90/73/93/809907393.db2.gz	CYMSZTUAUMAPRN-CZUORRHYSA-N	1	0	361.421	1.782	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCCC3)C[C@H]1C(F)(F)F	ZINC001112119267	809954700	/nfs/dbraw/zinc/95/47/00/809954700.db2.gz	MNRVPGAISAWMBL-UKRRQHHQSA-N	1	0	354.376	1.835	20	30		FDEDRO
C=CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CN2CN=NC2=O)C1	ZINC001087453667	810039499	/nfs/dbraw/zinc/03/94/99/810039499.db2.gz	FCNJRTPGZPCUJQ-HZPDHXFCSA-N	1	0	359.405	1.283	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1	ZINC001087455502	810063822	/nfs/dbraw/zinc/06/38/22/810063822.db2.gz	YYZKCZQMNBIHGW-KBAYOESNSA-N	1	0	359.445	1.764	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@H]([C@@H]2CCCO2)C2(CO)CCC2)CC1	ZINC000664019178	810172684	/nfs/dbraw/zinc/17/26/84/810172684.db2.gz	ICIXZCGNKYPHFT-DLBZAZTESA-N	1	0	351.491	1.646	20	30		FDEDRO
CN(C(=[NH2+])NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)C1CC1	ZINC000261722211	810315319	/nfs/dbraw/zinc/31/53/19/810315319.db2.gz	GBQVBRVMBCCUNZ-IBGZPJMESA-N	1	0	355.442	1.820	20	30		FDEDRO
C=CC[C@@H](NC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccncc1	ZINC000785395745	815362670	/nfs/dbraw/zinc/36/26/70/815362670.db2.gz	IARMOSAPBQPHMW-QZTJIDSGSA-N	1	0	374.485	1.288	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3ccnc3C2)C[C@H]1C(F)(F)F	ZINC001112123441	810407816	/nfs/dbraw/zinc/40/78/16/810407816.db2.gz	JQBUYTCPHYZRLM-BFHYXJOUSA-N	1	0	354.376	1.448	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCS(=O)(=O)CC(C)C)C[C@H]1C(F)(F)F	ZINC001112123603	810447010	/nfs/dbraw/zinc/44/70/10/810447010.db2.gz	RIVZRSROSZGWRQ-CHWSQXEVSA-N	1	0	370.437	1.612	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2C[C@H]2c2ccccc2OC)C1=O	ZINC001167920703	810552950	/nfs/dbraw/zinc/55/29/50/810552950.db2.gz	YYWZKJSPJDQYSW-RCCFBDPRSA-N	1	0	371.481	1.682	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)C1	ZINC001028545820	810631848	/nfs/dbraw/zinc/63/18/48/810631848.db2.gz	LRGRUZJVWWJVKN-IIDMSEBBSA-N	1	0	354.454	1.411	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)C1	ZINC001028546907	810633662	/nfs/dbraw/zinc/63/36/62/810633662.db2.gz	IYOONTKDSSLKET-HHXXYDBFSA-N	1	0	371.456	1.530	20	30		FDEDRO
C[NH+]=C(NCc1nnc(C)n1C)N[C@H]1CCN(c2c(F)cccc2F)C1	ZINC000261769835	810798796	/nfs/dbraw/zinc/79/87/96/810798796.db2.gz	NWPOWBJAHFFYTJ-LBPRGKRZSA-N	1	0	363.416	1.346	20	30		FDEDRO
CC#CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2COCCO2)C1	ZINC001087462516	810809935	/nfs/dbraw/zinc/80/99/35/810809935.db2.gz	MYKDMBWWNRCLLK-GUDVDZBRSA-N	1	0	360.429	1.539	20	30		FDEDRO
C#CC1(F)CN(C(=O)NCC[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)C1	ZINC000924894289	810932864	/nfs/dbraw/zinc/93/28/64/810932864.db2.gz	WEMMYBDAXHCHFM-UHFFFAOYSA-N	1	0	368.453	1.342	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ncccc4C)[C@@H]3C2)C1=O	ZINC001075668048	811040483	/nfs/dbraw/zinc/04/04/83/811040483.db2.gz	BBSVPDCQZLGLOD-GVDBMIGSSA-N	1	0	354.454	1.323	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CCCO)CC[C@@H]2c2ccc(F)cc2)c1	ZINC001087463480	811101946	/nfs/dbraw/zinc/10/19/46/811101946.db2.gz	LVMTZALHXDKPML-IEBWSBKVSA-N	1	0	370.428	1.996	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cnnn2C)C1	ZINC001087464287	811199711	/nfs/dbraw/zinc/19/97/11/811199711.db2.gz	AIOKQKGTXQWAQJ-IAGOWNOFSA-N	1	0	355.417	1.565	20	30		FDEDRO
CC[NH+]=C(NCc1ccc2c(c1)OCO2)N1CCO[C@@H](c2cnn(C)c2)C1	ZINC000261655265	811292523	/nfs/dbraw/zinc/29/25/23/811292523.db2.gz	ALUPVXHXXBGNGD-GOSISDBHSA-N	1	0	371.441	1.688	20	30		FDEDRO
C[NH+]=C(NCc1cnc(N(C)C)n1C)N1CC[C@@H](C)[C@H](n2ccnc2)C1	ZINC000261663512	811293249	/nfs/dbraw/zinc/29/32/49/811293249.db2.gz	BALWQFMZRXGCOY-GDBMZVCRSA-N	1	0	358.494	1.341	20	30		FDEDRO
C[NH+]=C(NCc1nnc2n1CCC2)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1	ZINC000261682597	811296852	/nfs/dbraw/zinc/29/68/52/811296852.db2.gz	DGDALERBGVBCIX-CJNGLKHVSA-N	1	0	372.448	1.901	20	30		FDEDRO
C[NH+]=C(NCc1nnc2ccc(C(F)(F)F)cn21)N(C)C[C@H]1CCOC1	ZINC000261696318	811299756	/nfs/dbraw/zinc/29/97/56/811299756.db2.gz	SKZFUYMAQSPJQF-LLVKDONJSA-N	1	0	370.379	1.792	20	30		FDEDRO
C[NH+]=C(NCc1cn2ccc(C)cc2n1)N1CCO[C@H](c2cnn(C)c2)C1	ZINC000261817738	811325947	/nfs/dbraw/zinc/32/59/47/811325947.db2.gz	UBPXZJMGLJEXEC-KRWDZBQOSA-N	1	0	367.457	1.525	20	30		FDEDRO
[NH2+]=C(NCc1ccccc1-n1ccnc1)N1CCN(c2ncccn2)CC1	ZINC000261964165	811354921	/nfs/dbraw/zinc/35/49/21/811354921.db2.gz	ALIJQHAACNRJLD-UHFFFAOYSA-N	1	0	362.441	1.299	20	30		FDEDRO
C=CCNC(NCc1nnc(C)n1C)=[NH+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2	ZINC000261978966	811359769	/nfs/dbraw/zinc/35/97/69/811359769.db2.gz	OLHDIKOHYVIGKZ-OIISXLGYSA-N	1	0	358.490	1.692	20	30		FDEDRO
[NH2+]=C(NCC[C@@H]1c2ccccc2NC1=O)N1CCN(c2ncccn2)CC1	ZINC000262217785	811416302	/nfs/dbraw/zinc/41/63/02/811416302.db2.gz	FKXHJOPEFPQISP-OAHLLOKOSA-N	1	0	365.441	1.039	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1C(F)(F)F	ZINC001112128701	811422141	/nfs/dbraw/zinc/42/21/41/811422141.db2.gz	XPEDNCWJTNTQTE-YNEHKIRRSA-N	1	0	368.421	1.366	20	30		FDEDRO
CNC(=O)c1ccc(CNC(=[NH+]C)N2CC(=O)N(C(C)C)C(C)(C)C2)cc1	ZINC000261794293	811532023	/nfs/dbraw/zinc/53/20/23/811532023.db2.gz	GIFQXKKOZMIPOC-UHFFFAOYSA-N	1	0	373.501	1.453	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc5nonc5c4)C[C@H]32)[nH]1	ZINC001075700138	815449730	/nfs/dbraw/zinc/44/97/30/815449730.db2.gz	FCHQIYBSRFRXRO-SCLBCKFNSA-N	1	0	362.393	1.769	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N1CC[C@H](c2cnn(C)c2)C1	ZINC000262749665	811544762	/nfs/dbraw/zinc/54/47/62/811544762.db2.gz	BOIMHPJPDXRLPV-HOTGVXAUSA-N	1	0	370.505	1.337	20	30		FDEDRO
C[NH+]=C(NCc1nnc(C)n1C)N1CCC(OC[C@@H]2CCCCO2)CC1	ZINC000261798785	811652319	/nfs/dbraw/zinc/65/23/19/811652319.db2.gz	RMYIWTICAPFCDZ-INIZCTEOSA-N	1	0	364.494	1.249	20	30		FDEDRO
C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@H](CC(N)=O)c1ccccc1	ZINC000280548655	811857431	/nfs/dbraw/zinc/85/74/31/811857431.db2.gz	QFYVBTIKZYZMJG-PKOBYXMFSA-N	1	0	353.422	1.846	20	30		FDEDRO
C=CCCCNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC	ZINC000280570359	811863519	/nfs/dbraw/zinc/86/35/19/811863519.db2.gz	VSJWBQHXACAWBN-UHFFFAOYSA-N	1	0	374.485	1.858	20	30		FDEDRO
N#CCC[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1ccccc1	ZINC000419467648	811977545	/nfs/dbraw/zinc/97/75/45/811977545.db2.gz	ABRGELVFLWPVJY-MHORFTMASA-N	1	0	354.454	1.733	20	30		FDEDRO
C=C(C)[C@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccc(F)c(F)c1	ZINC000419672036	812082705	/nfs/dbraw/zinc/08/27/05/812082705.db2.gz	FYHUAHFPBCXOBT-BBRMVZONSA-N	1	0	367.396	1.193	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCc3cc(N)ccc32)CC1	ZINC000419725629	812117255	/nfs/dbraw/zinc/11/72/55/812117255.db2.gz	IQSVZJXIWXOGHY-IBGZPJMESA-N	1	0	370.497	1.919	20	30		FDEDRO
C=CCN(C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1)C1CC1	ZINC000419869443	812266327	/nfs/dbraw/zinc/26/63/27/812266327.db2.gz	BNEKIJGFKOAPRJ-MSOLQXFVSA-N	1	0	357.454	1.434	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])C2CC2)cc1	ZINC000420016009	813408671	/nfs/dbraw/zinc/40/86/71/813408671.db2.gz	MHURUHIBFJTFGM-AEFFLSMTSA-N	1	0	354.454	1.683	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC[NH2+]1	ZINC000420119851	813480751	/nfs/dbraw/zinc/48/07/51/813480751.db2.gz	JMSDLGUBEMVXTF-NRSFXHEJSA-N	1	0	354.454	1.541	20	30		FDEDRO
C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)cc1	ZINC000420124278	813485420	/nfs/dbraw/zinc/48/54/20/813485420.db2.gz	MIOVQCJKFZLKOG-CQSZACIVSA-N	1	0	350.422	1.853	20	30		FDEDRO
CC1(CNC(=O)C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC[NH2+]CC1	ZINC000420130385	813491271	/nfs/dbraw/zinc/49/12/71/813491271.db2.gz	WXIVDXBRMGFWRP-ZWKOTPCHSA-N	1	0	368.481	1.791	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NCC1=CC[NH2+]CC1	ZINC000420156180	813496139	/nfs/dbraw/zinc/49/61/39/813496139.db2.gz	VMTOAIMMMWXUSH-UHFFFAOYSA-N	1	0	358.398	1.145	20	30		FDEDRO
C[NH+](C)CCOc1ccc(CNC(=O)C(=O)NCC(C)(C)CC#N)cc1	ZINC000421408932	814142301	/nfs/dbraw/zinc/14/23/01/814142301.db2.gz	PKPDYDJOLYONSY-UHFFFAOYSA-N	1	0	360.458	1.299	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](CO)[C@@H]1C)C(C)C	ZINC000421742621	814288816	/nfs/dbraw/zinc/28/88/16/814288816.db2.gz	SNMBSWNIXOYWRB-OKZBNKHCSA-N	1	0	365.518	1.421	20	30		FDEDRO
Cc1ncc(CO)c(/C=N/Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1O	ZINC000272992643	814785408	/nfs/dbraw/zinc/78/54/08/814785408.db2.gz	SVYWHBOTKSHGFS-FWOHHPOZSA-N	1	0	355.438	1.774	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc1	ZINC001028698714	814802858	/nfs/dbraw/zinc/80/28/58/814802858.db2.gz	QGOPJMSKFYDABO-NADOGSGZSA-N	1	0	351.450	1.920	20	30		FDEDRO
N#Cc1ccccc1C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC001028701863	814812800	/nfs/dbraw/zinc/81/28/00/814812800.db2.gz	MHTNCKIOQMYEMP-IBSXHGQTSA-N	1	0	351.450	1.920	20	30		FDEDRO
COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)CC#N)c1	ZINC000422481146	814824012	/nfs/dbraw/zinc/82/40/12/814824012.db2.gz	OQIRZTZDFFVAHR-UHFFFAOYSA-N	1	0	374.485	1.641	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)c1	ZINC001028709904	814832242	/nfs/dbraw/zinc/83/22/42/814832242.db2.gz	PNXZOBCFPMRDBM-FUMNGEBKSA-N	1	0	369.465	1.548	20	30		FDEDRO
CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000473555864	814919018	/nfs/dbraw/zinc/91/90/18/814919018.db2.gz	SHNZCYWQJVNLHZ-LJQANCHMSA-N	1	0	368.481	1.849	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2C#N)C1	ZINC001028806912	815756196	/nfs/dbraw/zinc/75/61/96/815756196.db2.gz	SPMZKMBIBFCFNY-FHLIZLRMSA-N	1	0	354.454	1.221	20	30		FDEDRO
COc1cc(C(=O)N2CC[C@H]3CN(Cc4cccc(C#N)c4)C[C@H]32)on1	ZINC001075711919	815834056	/nfs/dbraw/zinc/83/40/56/815834056.db2.gz	IYYOUQDIHPDTDB-JKSUJKDBSA-N	1	0	352.394	1.901	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001028856603	816244509	/nfs/dbraw/zinc/24/45/09/816244509.db2.gz	LEXOXIIXEGLPBY-HHXXYDBFSA-N	1	0	356.470	1.615	20	30		FDEDRO
C=CCOC[C@@H](NC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1)C(=O)OC	ZINC000435933165	816253216	/nfs/dbraw/zinc/25/32/16/816253216.db2.gz	BNEUJCNZWYQIME-SJORKVTESA-N	1	0	364.417	1.651	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2c(C)nnn2CC)C1	ZINC001028862358	816298515	/nfs/dbraw/zinc/29/85/15/816298515.db2.gz	QTNQVRGVLQXJKB-RYRKJORJSA-N	1	0	361.490	1.526	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC(=O)N2CCCCC2)C1	ZINC001028861783	816302733	/nfs/dbraw/zinc/30/27/33/816302733.db2.gz	CMAQKOBYWBUWDT-AOIWGVFYSA-N	1	0	363.502	1.418	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)NCc3ccc4c[nH+]cn4c3)CC2)n1	ZINC000515607872	816343294	/nfs/dbraw/zinc/34/32/94/816343294.db2.gz	LTSURZNOWDZIMP-UHFFFAOYSA-N	1	0	361.409	1.633	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)CCCN1C(=O)c2ccccc2C1=O	ZINC000425536202	816474863	/nfs/dbraw/zinc/47/48/63/816474863.db2.gz	GVQZPVBTEQRXKQ-AWEZNQCLSA-N	1	0	356.426	1.365	20	30		FDEDRO
CC(=O)N1CC(C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)C1	ZINC001075733506	816879636	/nfs/dbraw/zinc/87/96/36/816879636.db2.gz	NLGAEYHTLPSRBZ-PKOBYXMFSA-N	1	0	352.438	1.069	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CCN(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)[C@@H]2C1	ZINC000894334884	817087086	/nfs/dbraw/zinc/08/70/86/817087086.db2.gz	FDUYQGSZABLUNJ-FCCDEINASA-N	1	0	369.469	1.989	20	30		FDEDRO
C=C[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1	ZINC000517005932	817171528	/nfs/dbraw/zinc/17/15/28/817171528.db2.gz	JMAZIQRTBBSOBI-OAHLLOKOSA-N	1	0	369.473	1.052	20	30		FDEDRO
N#C[C@H]1CC[C@@H](NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)C1	ZINC000425835818	817209396	/nfs/dbraw/zinc/20/93/96/817209396.db2.gz	AWWBTSYSGIYOHP-OKYOBFRVSA-N	1	0	356.470	1.861	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1	ZINC000425870219	817271679	/nfs/dbraw/zinc/27/16/79/817271679.db2.gz	LCECMAQSHOEOER-JLSDUUJJSA-N	1	0	354.454	1.821	20	30		FDEDRO
N#CCCNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1	ZINC000427886932	817281790	/nfs/dbraw/zinc/28/17/90/817281790.db2.gz	RLGGVLNBPGTRCG-UHFFFAOYSA-N	1	0	355.442	1.187	20	30		FDEDRO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCCCC[NH+]1CCOCC1	ZINC000425878891	817285081	/nfs/dbraw/zinc/28/50/81/817285081.db2.gz	ZKCKLEHLEVVZQW-MRXNPFEDSA-N	1	0	372.469	1.306	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1	ZINC000425880434	817296276	/nfs/dbraw/zinc/29/62/76/817296276.db2.gz	GERHNMCNAHCZTD-YJBOKZPZSA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C	ZINC000437930491	817402417	/nfs/dbraw/zinc/40/24/17/817402417.db2.gz	JFQJABAMDJNFIW-ULQDDVLXSA-N	1	0	368.522	1.359	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000425964503	817510150	/nfs/dbraw/zinc/51/01/50/817510150.db2.gz	DRXXPQZBXBSXTH-NRFANRHFSA-N	1	0	357.498	1.756	20	30		FDEDRO
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N(C)CCOCc1ccc(C#N)cc1	ZINC000426006171	817573186	/nfs/dbraw/zinc/57/31/86/817573186.db2.gz	ZWCRXCLNBYKERR-SFHVURJKSA-N	1	0	369.425	1.004	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1	ZINC001087467217	817794355	/nfs/dbraw/zinc/79/43/55/817794355.db2.gz	KFMDWSAVBLALNK-GUDVDZBRSA-N	1	0	371.456	1.744	20	30		FDEDRO
C=CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1	ZINC001087467422	817818741	/nfs/dbraw/zinc/81/87/41/817818741.db2.gz	WKRXKWLZMOZOPV-BRWVUGGUSA-N	1	0	360.433	1.357	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCO)CC[C@@H]2c2ccc(F)cc2)c1	ZINC001087467432	817820688	/nfs/dbraw/zinc/82/06/88/817820688.db2.gz	WXYYWPWNGUPLKU-WOJBJXKFSA-N	1	0	367.424	1.782	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CCCNC(=O)c2ccco2)c1C#N	ZINC000518354712	817850752	/nfs/dbraw/zinc/85/07/52/817850752.db2.gz	LKUGNHPDWWKKMM-UHFFFAOYSA-N	1	0	358.402	1.175	20	30		FDEDRO
CC(C)[C@@H](O)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21	ZINC001075757376	817977467	/nfs/dbraw/zinc/97/74/67/817977467.db2.gz	XFSKWMPLEDFLAQ-QXAKKESOSA-N	1	0	357.454	1.639	20	30		FDEDRO
CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCn2cnc(C#N)n2)C[C@H]1C(F)(F)F	ZINC000894419436	818035093	/nfs/dbraw/zinc/03/50/93/818035093.db2.gz	DNRMYEUHVHHCCT-QJPTWQEYSA-N	1	0	359.352	1.650	20	30		FDEDRO
C=CC[N@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1	ZINC001087471481	818080603	/nfs/dbraw/zinc/08/06/03/818080603.db2.gz	HAXANBFRJARSQA-FHWLQOOXSA-N	1	0	371.481	1.824	20	30		FDEDRO
C#C[C@H]([NH2+]Cc1cn(CC(=O)OCC)nc1-c1cnn(C)c1)C(C)(C)C	ZINC000894784126	818447243	/nfs/dbraw/zinc/44/72/43/818447243.db2.gz	DQCYROGYYMXZGH-INIZCTEOSA-N	1	0	357.458	1.984	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCN(C(C)C)C2=O)C1	ZINC000983692857	818567616	/nfs/dbraw/zinc/56/76/16/818567616.db2.gz	MFKATDFQPDRTSQ-DZVNLGKHSA-N	1	0	363.502	1.461	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC1CCCC1	ZINC001167985259	818729643	/nfs/dbraw/zinc/72/96/43/818729643.db2.gz	DFOWTFQVTXZTGM-WMZOPIPTSA-N	1	0	351.491	1.512	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCC[C@H]2CCN(C(=O)CSCC#N)C2)CC[N@@H+]1C	ZINC001059197844	818792109	/nfs/dbraw/zinc/79/21/09/818792109.db2.gz	ISQUPKPBGZCUAL-HRCADAONSA-N	1	0	366.531	1.328	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1	ZINC000983728330	818834092	/nfs/dbraw/zinc/83/40/92/818834092.db2.gz	MTYHJKQKFUTUBJ-FHLIZLRMSA-N	1	0	371.485	1.728	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)nc1	ZINC000937415344	818863138	/nfs/dbraw/zinc/86/31/38/818863138.db2.gz	HIDAIOCQSKJRBL-BPQIPLTHSA-N	1	0	368.481	1.514	20	30		FDEDRO
C[C@@H]([NH2+]Cc1ccccc1C#N)C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1	ZINC001029145231	818932272	/nfs/dbraw/zinc/93/22/72/818932272.db2.gz	UMQCXCNGOUFYFM-XWIAVFTESA-N	1	0	354.454	1.396	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]Cc2cc(OC)no2)CC1	ZINC001029145778	818933028	/nfs/dbraw/zinc/93/30/28/818933028.db2.gz	FMLUMOOUPWVCLR-XYPHTWIQSA-N	1	0	363.458	1.991	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C[C@H]1[NH+](C)C	ZINC000473878339	818959408	/nfs/dbraw/zinc/95/94/08/818959408.db2.gz	SSMAJUFCCZDSLW-FHLIZLRMSA-N	1	0	354.454	1.458	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](C[C@@H](O)c3cc(F)ccc3F)C[C@H]21	ZINC001075771168	819017267	/nfs/dbraw/zinc/01/72/67/819017267.db2.gz	URMGKIXZFFRUFO-GDIGMMSISA-N	1	0	360.404	1.944	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)N[C@@H]3C[C@H]3C3CC[NH2+]CC3)CC2)n1	ZINC000519814571	819070830	/nfs/dbraw/zinc/07/08/30/819070830.db2.gz	XSQFFVICVMDCJY-DLBZAZTESA-N	1	0	354.458	1.173	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)C#CC2CC2)CC[N@@H+]1C	ZINC000983786502	819476345	/nfs/dbraw/zinc/47/63/45/819476345.db2.gz	BAXSCSBTJZLFKM-XGXHKWSGSA-N	1	0	359.514	1.873	20	30		FDEDRO
CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)C1	ZINC000328647769	819521356	/nfs/dbraw/zinc/52/13/56/819521356.db2.gz	ADKMPOVFDLMRBZ-CABCVRRESA-N	1	0	362.478	1.151	20	30		FDEDRO
O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCN(C2CC2)C(=O)C1	ZINC000328652105	819522364	/nfs/dbraw/zinc/52/23/64/819522364.db2.gz	BTZFUMQPQFXDQX-SFHVURJKSA-N	1	0	356.470	1.872	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H]2CCCC23CCOCC3)CC1	ZINC000328659217	819524795	/nfs/dbraw/zinc/52/47/95/819524795.db2.gz	SHSOTSGHDIHMIW-ROUUACIJSA-N	1	0	362.518	1.618	20	30		FDEDRO
O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)N[C@@H]1CCO[C@@H]1C1CC1	ZINC000328857827	819568998	/nfs/dbraw/zinc/56/89/98/819568998.db2.gz	XZEMQABEAUVNAJ-GUDVDZBRSA-N	1	0	359.470	1.959	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](C)N3CCOCC3)cn2)CC1	ZINC000328870471	819573499	/nfs/dbraw/zinc/57/34/99/819573499.db2.gz	POWDSRMTEFZMCO-INIZCTEOSA-N	1	0	361.490	1.401	20	30		FDEDRO
CC(C)[C@](C)(C#N)NC(=O)CN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000330437220	819613949	/nfs/dbraw/zinc/61/39/49/819613949.db2.gz	ROTGULRDVPTUIZ-QKLQHJQFSA-N	1	0	364.534	1.862	20	30		FDEDRO
CCCNC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC(=O)NC2CCCCC2)C1	ZINC000330721862	819637743	/nfs/dbraw/zinc/63/77/43/819637743.db2.gz	XRJMGLRFQILMIK-HUUCEWRRSA-N	1	0	366.506	1.976	20	30		FDEDRO
C[C@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O	ZINC000331233891	819673546	/nfs/dbraw/zinc/67/35/46/819673546.db2.gz	SCQQCWADMYCKMF-AWEZNQCLSA-N	1	0	364.446	1.828	20	30		FDEDRO
Cn1ccc(CC(=O)N2CC[C@H]3CN(CC#Cc4ccc(F)cc4)C[C@H]32)n1	ZINC001075782569	819715743	/nfs/dbraw/zinc/71/57/43/819715743.db2.gz	HFYQGDCHAMFHJJ-FXAWDEMLSA-N	1	0	366.440	1.686	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC000983827320	819720795	/nfs/dbraw/zinc/72/07/95/819720795.db2.gz	PHAKWMGAOLYPGX-TXCZRRACSA-N	1	0	371.485	1.583	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1	ZINC000983868510	819832086	/nfs/dbraw/zinc/83/20/86/819832086.db2.gz	OLPLLJVRZFSGOQ-PBHICJAKSA-N	1	0	371.485	1.728	20	30		FDEDRO
CCc1ccc(CC[N@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)cc1	ZINC001083413506	820018332	/nfs/dbraw/zinc/01/83/32/820018332.db2.gz	RFIXNLNCOCDMLZ-MOPGFXCFSA-N	1	0	352.438	1.466	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(F)ccc2C#N)C1	ZINC000983915539	820068598	/nfs/dbraw/zinc/06/85/98/820068598.db2.gz	UQPOMPSIJNIHID-LUVWLHFXSA-N	1	0	361.417	1.486	20	30		FDEDRO
Cc1cncn1CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC000983919703	820093659	/nfs/dbraw/zinc/09/36/59/820093659.db2.gz	XMPQYPDTKSVNJV-CJNGLKHVSA-N	1	0	368.441	1.448	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCc3cccc(F)c3)C[C@@H]2O)[nH]1	ZINC001083414174	820152586	/nfs/dbraw/zinc/15/25/86/820152586.db2.gz	PNOLHABLGNLKBW-MSOLQXFVSA-N	1	0	356.401	1.433	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc(C)n(C)n3)[C@H]2CC)C1=O	ZINC001087514645	820281144	/nfs/dbraw/zinc/28/11/44/820281144.db2.gz	HLFSTZSZEQUDRL-UAGQMJEPSA-N	1	0	359.474	1.098	20	30		FDEDRO
CC#CC[C@H](CO)[NH2+]C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1	ZINC000895098099	820298741	/nfs/dbraw/zinc/29/87/41/820298741.db2.gz	JJUOXSGDMVTUOK-HZPDHXFCSA-N	1	0	367.490	1.114	20	30		FDEDRO
CC#CC[C@H](CO)[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2	ZINC000895131866	820750799	/nfs/dbraw/zinc/75/07/99/820750799.db2.gz	LRQHDCKUJLOGEQ-PMPSAXMXSA-N	1	0	352.475	1.813	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)ccc1F	ZINC000442273229	821108953	/nfs/dbraw/zinc/10/89/53/821108953.db2.gz	OYKWAZLZNSWCPG-CYBMUJFWSA-N	1	0	374.416	1.253	20	30		FDEDRO
C[N@@H+]1CC[C@H](C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C1	ZINC000521358830	821229442	/nfs/dbraw/zinc/22/94/42/821229442.db2.gz	BEQOQILSJWDCTP-AWEZNQCLSA-N	1	0	352.442	1.327	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1CCn1nc(C)cc1C	ZINC001087545663	821248575	/nfs/dbraw/zinc/24/85/75/821248575.db2.gz	WGEOMPQOAZAYON-FUHWJXTLSA-N	1	0	354.458	1.983	20	30		FDEDRO
C#C[C@@H]1CCC[N@@H+](Cc2cn(CC(=O)OCC)nc2-c2cnn(C)c2)C1	ZINC000895184647	821567049	/nfs/dbraw/zinc/56/70/49/821567049.db2.gz	VGOXUSIMDMNGKZ-OAHLLOKOSA-N	1	0	355.442	1.692	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2CC)CC1	ZINC001105396444	821688474	/nfs/dbraw/zinc/68/84/74/821688474.db2.gz	LSBMREZVAMPQBM-POAQFYNOSA-N	1	0	371.525	1.875	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCCC[C@H]2C(N)=O)cc1	ZINC000445775492	828363752	/nfs/dbraw/zinc/36/37/52/828363752.db2.gz	QUZCFTOULUCBHM-QZTJIDSGSA-N	1	0	372.469	1.966	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCNC2=O)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087609407	821727168	/nfs/dbraw/zinc/72/71/68/821727168.db2.gz	LANLWZJQRGPKTE-OKZBNKHCSA-N	1	0	354.454	1.554	20	30		FDEDRO
C=CCc1ccc(OCC(=O)NC[C@H](C)N2CC[NH+](C)CC2)c(OC)c1	ZINC000524386426	828367018	/nfs/dbraw/zinc/36/70/18/828367018.db2.gz	UPWBKJYMFFZFRM-INIZCTEOSA-N	1	0	361.486	1.555	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2COCCN2CC)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087632867	821840039	/nfs/dbraw/zinc/84/00/39/821840039.db2.gz	AQJYMRCPWYRQAD-PWRODBHTSA-N	1	0	369.509	1.728	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)CC[N@@H+]1CC#Cc1ccccc1	ZINC001087687236	822041463	/nfs/dbraw/zinc/04/14/63/822041463.db2.gz	SUNSZKHREJVTEH-RCCFBDPRSA-N	1	0	354.454	1.031	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001087713544	822169686	/nfs/dbraw/zinc/16/96/86/822169686.db2.gz	TZGIXMUBXRSXNU-DOTOQJQBSA-N	1	0	353.426	1.780	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3cn(C)nc3C)[C@@H]2CC)c1	ZINC001087718843	822184923	/nfs/dbraw/zinc/18/49/23/822184923.db2.gz	MDCGOMNHOUZJLC-RBUKOAKNSA-N	1	0	351.454	1.888	20	30		FDEDRO
C=C(Br)CN1CC[C@H](NC(=O)[C@@]2(C)CCNC2=O)[C@H]1CC	ZINC001087722628	822212437	/nfs/dbraw/zinc/21/24/37/822212437.db2.gz	MJVGCIYVWRIWAM-ZOWXZIJZSA-N	1	0	358.280	1.390	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCC(=O)N2)CC[N@@H+]1Cc1ccc(C#N)s1	ZINC001087759121	822373511	/nfs/dbraw/zinc/37/35/11/822373511.db2.gz	CLKQWMVAFDSMMM-UHOFOFEASA-N	1	0	360.483	1.758	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](CCn3cccn3)[C@@H]2CC)nn1	ZINC001087756286	822378970	/nfs/dbraw/zinc/37/89/70/822378970.db2.gz	HXCAVMAZTCWXOZ-DOTOQJQBSA-N	1	0	357.462	1.334	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C2CC(=O)NC(=O)C2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001087761739	822386939	/nfs/dbraw/zinc/38/69/39/822386939.db2.gz	KWCPESITZSIWPR-DLBZAZTESA-N	1	0	368.437	1.080	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC000984413406	822506570	/nfs/dbraw/zinc/50/65/70/822506570.db2.gz	WGNQMUOTASTZEG-ZACQAIPSSA-N	1	0	361.486	1.123	20	30		FDEDRO
CCc1ccccc1CC[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1	ZINC001083418075	822532649	/nfs/dbraw/zinc/53/26/49/822532649.db2.gz	QGRYGKRZKBEVMF-MOPGFXCFSA-N	1	0	352.438	1.466	20	30		FDEDRO
C[C@H](c1ccc2c(c1)CCC2)[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1	ZINC001083418493	822635886	/nfs/dbraw/zinc/63/58/86/822635886.db2.gz	MEHKYCGDPKCZAR-GBLZOACLSA-N	1	0	364.449	1.911	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C(=O)O1	ZINC000895594214	822666910	/nfs/dbraw/zinc/66/69/10/822666910.db2.gz	KSTGSUHQYWVFTK-SUMWQHHRSA-N	1	0	356.426	1.526	20	30		FDEDRO
C[C@H]1C[C@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C(=O)O1	ZINC000895594213	822666945	/nfs/dbraw/zinc/66/69/45/822666945.db2.gz	KSTGSUHQYWVFTK-GUYCJALGSA-N	1	0	356.426	1.526	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(NC(=O)c3cnn(C)c3C#N)c(C)c2)CC1	ZINC000474289744	822688257	/nfs/dbraw/zinc/68/82/57/822688257.db2.gz	MFMZZSWEQSMSFD-UHFFFAOYSA-N	1	0	352.442	1.994	20	30		FDEDRO
C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CCC2(CC1)CC(=O)C=CO2	ZINC000895667058	822694644	/nfs/dbraw/zinc/69/46/44/822694644.db2.gz	XNPNCVVOXSDSHS-INIZCTEOSA-N	1	0	366.506	1.306	20	30		FDEDRO
O=C(c1cn[nH]c1)N1C[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)CC[C@@H]2C1	ZINC001087895901	822750607	/nfs/dbraw/zinc/75/06/07/822750607.db2.gz	BWZJMQDLMCGVCO-AEFFLSMTSA-N	1	0	352.413	1.994	20	30		FDEDRO
C[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC001029841738	828497807	/nfs/dbraw/zinc/49/78/07/828497807.db2.gz	OQJXBJAFANDAFO-OTWHNJEPSA-N	1	0	368.481	1.740	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CNC(=O)c2cscn2)C[C@H]1C(F)(F)F	ZINC001112190245	828521403	/nfs/dbraw/zinc/52/14/03/828521403.db2.gz	RMNOFQXUICCWIR-NXEZZACHSA-N	1	0	362.377	1.038	20	30		FDEDRO
CN1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4)CC[C@@H]3C2)C1	ZINC001087920079	823865374	/nfs/dbraw/zinc/86/53/74/823865374.db2.gz	DJLBLUVVSNOSTR-HSALFYBXSA-N	1	0	368.481	1.169	20	30		FDEDRO
Cc1cnc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]3C2)cn1	ZINC001087924812	823916884	/nfs/dbraw/zinc/91/68/84/823916884.db2.gz	KFFXUOAPOJCJCB-CVEARBPZSA-N	1	0	350.426	1.579	20	30		FDEDRO
O=C([C@@H]1CCNC(=O)C1)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1	ZINC001087932838	823960745	/nfs/dbraw/zinc/96/07/45/823960745.db2.gz	OZRXQAXHYWHOGM-AQNXPRMDSA-N	1	0	365.477	1.345	20	30		FDEDRO
N#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](CC(=O)N4CCCCC4)CC[C@@H]3C2)[nH]1	ZINC001087938701	824017083	/nfs/dbraw/zinc/01/70/83/824017083.db2.gz	HJIJHPIKEVNEQO-CVEARBPZSA-N	1	0	369.469	1.293	20	30		FDEDRO
C#Cc1ccc(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)cc1	ZINC000896172414	824140174	/nfs/dbraw/zinc/14/01/74/824140174.db2.gz	AXAGJNMVMUNMIE-UHFFFAOYSA-N	1	0	363.465	1.790	20	30		FDEDRO
Cn1cnc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4F)CC[C@@H]3C2)n1	ZINC001087957392	824154628	/nfs/dbraw/zinc/15/46/28/824154628.db2.gz	OXXRXYCOVSRTCZ-ZBFHGGJFSA-N	1	0	368.416	1.420	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCc2ccc(Cl)cc2)C[C@H]1NC(=O)CSCC#N	ZINC001211886506	824161298	/nfs/dbraw/zinc/16/12/98/824161298.db2.gz	LPHHHXCCKVXIBN-HZPDHXFCSA-N	1	0	367.902	1.955	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CC[C@@H]2CC[C@@H](C3OCCO3)O2)CC1	ZINC000896209146	824202465	/nfs/dbraw/zinc/20/24/65/824202465.db2.gz	VNSYGRKJRDPEFS-IRXDYDNUSA-N	1	0	352.475	1.844	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CC[C@H]2CC[C@H](C3OCCO3)O2)CC1	ZINC000896209145	824202571	/nfs/dbraw/zinc/20/25/71/824202571.db2.gz	VNSYGRKJRDPEFS-IAGOWNOFSA-N	1	0	352.475	1.844	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)C[C@@H]2C1	ZINC001087964449	824218001	/nfs/dbraw/zinc/21/80/01/824218001.db2.gz	LCWKIZNECGBIQB-OAGGEKHMSA-N	1	0	357.458	1.119	20	30		FDEDRO
CN(C)C(=O)CNC(=[NH+]C1CCCC1)N1CCN(c2ccccc2)CC1	ZINC000262260989	824219912	/nfs/dbraw/zinc/21/99/12/824219912.db2.gz	DRLCXWXACOJHKZ-UHFFFAOYSA-N	1	0	357.502	1.785	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3c3ccncc3)C[C@@H]2C1	ZINC001087969717	824263942	/nfs/dbraw/zinc/26/39/42/824263942.db2.gz	JPHRGLXRXSCESG-WCIQWLHISA-N	1	0	353.466	1.963	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3c3ccncc3)C[C@@H]2C1	ZINC001087970213	824284046	/nfs/dbraw/zinc/28/40/46/824284046.db2.gz	KDNJNDBUWVKUAI-WCIQWLHISA-N	1	0	353.466	1.963	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC3CC3)CC[C@@H]2C1	ZINC001087970223	824284134	/nfs/dbraw/zinc/28/41/34/824284134.db2.gz	KTVOJWUOEDPWEL-ATLSCFEFSA-N	1	0	361.486	1.027	20	30		FDEDRO
COC(=O)[C@@](C)(C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(F)cc1	ZINC000447032781	828644769	/nfs/dbraw/zinc/64/47/69/828644769.db2.gz	ATYKIDDRPFHUDE-PXNSSMCTSA-N	1	0	369.396	1.944	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cnn4c3cccc4OC)C[C@@H]2C1	ZINC001087984226	824433529	/nfs/dbraw/zinc/43/35/29/824433529.db2.gz	RGOXVWXHURJGRK-CVEARBPZSA-N	1	0	352.438	1.760	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1CC	ZINC000984689693	824491203	/nfs/dbraw/zinc/49/12/03/824491203.db2.gz	CSVQPQFKDYRBDP-BBWFWOEESA-N	1	0	358.486	1.878	20	30		FDEDRO
CN1C[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CC#Cc4ccccc4)CC[C@@H]3C2)CC1=O	ZINC001087985386	824528212	/nfs/dbraw/zinc/52/82/12/824528212.db2.gz	NVUPESGXVFZSSI-AABGKKOBSA-N	1	0	365.477	1.297	20	30		FDEDRO
CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)C1	ZINC000329034289	824539990	/nfs/dbraw/zinc/53/99/90/824539990.db2.gz	MJHASJZRTJJTBR-NTDBWNAOSA-N	1	0	367.490	1.206	20	30		FDEDRO
Cc1noc([C@@H]2[C@@H](C)OCCN2CC(=O)NC2CC[NH+](C3CC3)CC2)n1	ZINC000329044708	824545876	/nfs/dbraw/zinc/54/58/76/824545876.db2.gz	PLAMNMJIVQUXQA-PXAZEXFGSA-N	1	0	363.462	1.723	20	30		FDEDRO
C[C@@H](NC(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@@H]1C[N@H+](C)CCN1C	ZINC000896543069	824554439	/nfs/dbraw/zinc/55/44/39/824554439.db2.gz	WMWKKWUCINSGES-KDOFPFPSSA-N	1	0	352.442	1.108	20	30		FDEDRO
O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N[C@@H]1CCO[C@]2(CCOC2)C1	ZINC000329117502	824602359	/nfs/dbraw/zinc/60/23/59/824602359.db2.gz	NXZGTZUEEIXKPA-VXIBKDFQSA-N	1	0	367.490	1.206	20	30		FDEDRO
CN1CCN(CC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)CC1=O	ZINC000329135552	824618128	/nfs/dbraw/zinc/61/81/28/824618128.db2.gz	GLEZSBSQCBAQSV-UHFFFAOYSA-N	1	0	374.485	1.390	20	30		FDEDRO
Cc1noc([C@@H]2CN(C(=O)NC[C@@H](C)[NH+]3CCC(C)CC3)CCN2C)n1	ZINC000329150908	824632335	/nfs/dbraw/zinc/63/23/35/824632335.db2.gz	ZUCKPIFJIGNYBW-ZBFHGGJFSA-N	1	0	364.494	1.701	20	30		FDEDRO
Cc1c(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)cnn1C(C)(C)C	ZINC000329205572	824666337	/nfs/dbraw/zinc/66/63/37/824666337.db2.gz	XWCKEHMRLNOOKA-INIZCTEOSA-N	1	0	361.490	1.946	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CN(C)Cc2nc(N(C)C)no2)C1	ZINC001029847457	828684704	/nfs/dbraw/zinc/68/47/04/828684704.db2.gz	SZJYVYNQSBMJFM-ZNMIVQPWSA-N	1	0	363.462	1.007	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2CCN(c3ccccc3)C2=O)C1	ZINC000329299977	824721595	/nfs/dbraw/zinc/72/15/95/824721595.db2.gz	VEVGLFUQECXVOA-MSOLQXFVSA-N	1	0	374.485	1.652	20	30		FDEDRO
CC[C@@H](CNC(=O)NCC(=O)N1CCOCC1)[N@@H+]1CCc2ccccc2C1	ZINC000329308445	824725956	/nfs/dbraw/zinc/72/59/56/824725956.db2.gz	YVQIEJRWBAJCQR-SFHVURJKSA-N	1	0	374.485	1.186	20	30		FDEDRO
Cc1nc2ccccc2n1CC(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1	ZINC000329322631	824737152	/nfs/dbraw/zinc/73/71/52/824737152.db2.gz	HDJWRNVPLAXSRU-GOSISDBHSA-N	1	0	369.469	1.996	20	30		FDEDRO
C[C@H]1C(=O)NCCN1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1cncn1C	ZINC000329341553	824745725	/nfs/dbraw/zinc/74/57/25/824745725.db2.gz	PBFDNFOVGWZYBT-NORZTCDRSA-N	1	0	374.445	1.189	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCNC(=O)C[C@@H]1c1ccccc1	ZINC000329456594	824805569	/nfs/dbraw/zinc/80/55/69/824805569.db2.gz	NKGUSHQJKLKELF-IAGOWNOFSA-N	1	0	359.474	1.550	20	30		FDEDRO
O=C(NCc1ccc(CN2CCOCC2)cc1)N[C@H]1CC[N@@H+](C2CC2)C1	ZINC000329466524	824813058	/nfs/dbraw/zinc/81/30/58/824813058.db2.gz	SBCDEMXBEAWSNO-SFHVURJKSA-N	1	0	358.486	1.759	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)C2(N3CCOCC3)CCC2)CC1	ZINC000329479585	824822450	/nfs/dbraw/zinc/82/24/50/824822450.db2.gz	VHOUAVYEVWPYPN-UHFFFAOYSA-N	1	0	373.501	1.545	20	30		FDEDRO
C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000329516893	824845005	/nfs/dbraw/zinc/84/50/05/824845005.db2.gz	PCGCVLIHCINQTD-BRWVUGGUSA-N	1	0	363.506	1.749	20	30		FDEDRO
C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(=O)[nH]c4ncn(C)c43)C[C@@H]2C1	ZINC001087990312	824932685	/nfs/dbraw/zinc/93/26/85/824932685.db2.gz	ZKNGIAJLZVXMSW-KGLIPLIRSA-N	1	0	355.442	1.644	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3ccco3)C2)C1=O	ZINC000984832124	825066148	/nfs/dbraw/zinc/06/61/48/825066148.db2.gz	CBKHIQKYDUDCPW-WRQOLXDDSA-N	1	0	357.454	1.654	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCO[C@H]3c3nccn3C)C[C@@H]2C1	ZINC001087998697	825080110	/nfs/dbraw/zinc/08/01/10/825080110.db2.gz	WKWHMDWIDXRWHD-FCGDIQPGSA-N	1	0	370.497	1.691	20	30		FDEDRO
CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CC(=O)NC2(C#N)CCC2)C1	ZINC000525886169	828747439	/nfs/dbraw/zinc/74/74/39/828747439.db2.gz	SLLXICIUMBLLHV-ZDUSSCGKSA-N	1	0	374.407	1.672	20	30		FDEDRO
C=CCOc1ccc(C(=O)N2C[C@@H]3C[N@H+]([C@H](C)C(N)=O)CC[C@@H]3C2)cc1	ZINC001088016857	825275949	/nfs/dbraw/zinc/27/59/49/825275949.db2.gz	ZGBAJKLMDBBQEM-OIISXLGYSA-N	1	0	357.454	1.519	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)c2nncn2C)C1	ZINC000984904680	825366398	/nfs/dbraw/zinc/36/63/98/825366398.db2.gz	BXMNOUOVKPYJLL-MTSZKFMLSA-N	1	0	361.490	1.732	20	30		FDEDRO
C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC1CCN(CC(=O)N(C)C)CC1	ZINC000329779527	825449713	/nfs/dbraw/zinc/44/97/13/825449713.db2.gz	LYZWYGUEGPTOCX-HNNXBMFYSA-N	1	0	367.538	1.115	20	30		FDEDRO
C[C@@H]1C[C@H](NC(=O)N2CCN(Cc3cn4ccccc4n3)CC2)CC[N@@H+]1C	ZINC000329814429	825477807	/nfs/dbraw/zinc/47/78/07/825477807.db2.gz	UNFCZVLSHGAZEH-IAGOWNOFSA-N	1	0	370.501	1.849	20	30		FDEDRO
Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)on1	ZINC000329901178	825534962	/nfs/dbraw/zinc/53/49/62/825534962.db2.gz	GRDZVJQWWLHYSM-DZKIICNBSA-N	1	0	365.453	1.636	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3ncc4cc(C)cnc43)C[C@@H]2C1	ZINC001088043520	825548495	/nfs/dbraw/zinc/54/84/95/825548495.db2.gz	XAAKWXVTSUVYQE-AEFFLSMTSA-N	1	0	351.454	1.543	20	30		FDEDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC(N2CCCCC2=O)CC1	ZINC000330088371	825627157	/nfs/dbraw/zinc/62/71/57/825627157.db2.gz	NYLOHSVXNJYJSY-INIZCTEOSA-N	1	0	365.522	1.013	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3c(C)c(C)nn(C)c3=O)C[C@@H]2C1	ZINC001088060897	825726864	/nfs/dbraw/zinc/72/68/64/825726864.db2.gz	BDZUYCUQAPMPPB-SJORKVTESA-N	1	0	358.486	1.757	20	30		FDEDRO
CCn1ccnc(N2CCC(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)CC2)c1=O	ZINC000330234327	825748972	/nfs/dbraw/zinc/74/89/72/825748972.db2.gz	SMKNZCODGDAMMH-MRXNPFEDSA-N	1	0	359.474	1.815	20	30		FDEDRO
CC(C)N1C[C@H](NC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CC1=O	ZINC000330239036	825750986	/nfs/dbraw/zinc/75/09/86/825750986.db2.gz	ICEPIHKKFOGGIR-QGZVFWFLSA-N	1	0	366.506	1.344	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCC1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1	ZINC000526056650	828820329	/nfs/dbraw/zinc/82/03/29/828820329.db2.gz	HNEVGNLECUJEIL-HRBLRVMOSA-N	1	0	359.518	1.180	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1ccnc(N(C)C)n1	ZINC000330249070	825765957	/nfs/dbraw/zinc/76/59/57/825765957.db2.gz	ZRXCCWKUPWOILR-AWEZNQCLSA-N	1	0	362.478	1.142	20	30		FDEDRO
C[NH+](C)CCN1CCC(NC(=O)N[C@@H]2CCOC3(CCOCC3)C2)CC1	ZINC000330271726	825784061	/nfs/dbraw/zinc/78/40/61/825784061.db2.gz	WKLFYVMBUHCEJP-QGZVFWFLSA-N	1	0	368.522	1.244	20	30		FDEDRO
C=C[C@@H](CC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)OC)c1ccccc1	ZINC000281005263	825848241	/nfs/dbraw/zinc/84/82/41/825848241.db2.gz	DQKAYHIEQLLHAJ-SFHVURJKSA-N	1	0	373.497	1.595	20	30		FDEDRO
COC(=O)c1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)no1	ZINC000281026186	825856876	/nfs/dbraw/zinc/85/68/76/825856876.db2.gz	UUPXBPRGALVSPY-UHFFFAOYSA-N	1	0	356.382	1.537	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CCCO1	ZINC000281187983	825906061	/nfs/dbraw/zinc/90/60/61/825906061.db2.gz	LDHCLEZCJPUUEH-QFBILLFUSA-N	1	0	354.454	1.858	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cocc4C)C[C@@H]3C2)C1=O	ZINC001088070850	825912428	/nfs/dbraw/zinc/91/24/28/825912428.db2.gz	DLYWTTUHRQGKJG-SOLBZPMBSA-N	1	0	357.454	1.769	20	30		FDEDRO
C[NH+](C)CCN1C[C@H](C(=O)Nc2cc(C#N)ccc2NC2CC2)CC1=O	ZINC000281246985	825921840	/nfs/dbraw/zinc/92/18/40/825921840.db2.gz	UHDPNBCATXYHOK-CQSZACIVSA-N	1	0	355.442	1.481	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C)CCC[NH+]1CCCC1	ZINC000281505278	825967580	/nfs/dbraw/zinc/96/75/80/825967580.db2.gz	QZNGTRDJWDPSPH-UHFFFAOYSA-N	1	0	361.417	1.721	20	30		FDEDRO
C#C[C@@H](NC(=O)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1)C(C)C	ZINC000281505391	825967589	/nfs/dbraw/zinc/96/75/89/825967589.db2.gz	KQUPAFPJQLDRSF-MRXNPFEDSA-N	1	0	372.469	1.598	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)CC(C)(F)F)[C@@H]2CC)CC1	ZINC000984989361	826006856	/nfs/dbraw/zinc/00/68/56/826006856.db2.gz	PXZASDLRIDISEM-JKSUJKDBSA-N	1	0	369.456	1.873	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000281759443	826209977	/nfs/dbraw/zinc/20/99/77/826209977.db2.gz	AMAVLNUWEOPWHF-LBPRGKRZSA-N	1	0	370.331	1.606	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN(CC(F)F)C3)C[C@@H]2C1	ZINC001088083905	826221748	/nfs/dbraw/zinc/22/17/48/826221748.db2.gz	OLKMUGQQNVPSLX-IKGGRYGDSA-N	1	0	353.457	1.767	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)CCc4cn[nH]n4)C[C@@H]3C2)c1	ZINC001088111936	826443367	/nfs/dbraw/zinc/44/33/67/826443367.db2.gz	DHWKPSNCRCPDDH-MSOLQXFVSA-N	1	0	364.453	1.589	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4cnc[nH]4)C[C@@H]3C2)s1	ZINC001088120994	826496967	/nfs/dbraw/zinc/49/69/67/826496967.db2.gz	JJWJQMRWQZGIOI-KGLIPLIRSA-N	1	0	355.467	1.866	20	30		FDEDRO
C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H](C)C3)C[C@@H]2C1	ZINC001088131226	826549564	/nfs/dbraw/zinc/54/95/64/826549564.db2.gz	DUOPHJRBOTYFKY-IMJJTQAJSA-N	1	0	353.894	1.778	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccns4)CC[C@@H]3C2)nn1	ZINC001088133327	826573576	/nfs/dbraw/zinc/57/35/76/826573576.db2.gz	BSMSYPJJIWREIN-KGLIPLIRSA-N	1	0	358.471	1.515	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@@H]4CCC(=O)N4)C[C@@H]3C2)cc1	ZINC001088137957	826619708	/nfs/dbraw/zinc/61/97/08/826619708.db2.gz	MAXGNKLTIFZOBU-QYZOEREBSA-N	1	0	366.465	1.507	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC000985160420	826650148	/nfs/dbraw/zinc/65/01/48/826650148.db2.gz	GGQSUBJIYHNQBO-JLJPHGGASA-N	1	0	357.458	1.337	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cnon4)C[C@@H]3C2)cc1F	ZINC001088145576	826707279	/nfs/dbraw/zinc/70/72/79/826707279.db2.gz	LCWSJIOVPAMIRG-CABCVRRESA-N	1	0	355.373	1.674	20	30		FDEDRO
CN(CCC#N)c1ccc(C[NH+]2CCC3(CC2)C[C@H](O)CNC3=O)cc1	ZINC000897043089	826827163	/nfs/dbraw/zinc/82/71/63/826827163.db2.gz	SVUMYDLDDZPCHQ-SFHVURJKSA-N	1	0	356.470	1.499	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](C[C@@H]4CCCOC4)CC[C@@H]3C2)nc1	ZINC001088174300	827220353	/nfs/dbraw/zinc/22/03/53/827220353.db2.gz	PPZVILXRBGBWAB-OTWHNJEPSA-N	1	0	353.466	1.883	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cnnn4)cc3)C[C@@H]2C1	ZINC001088192828	827393003	/nfs/dbraw/zinc/39/30/03/827393003.db2.gz	XOXJJEXPXHLVJV-SJORKVTESA-N	1	0	352.442	1.632	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cn4cncn4)C[C@@H]3C2)cc1	ZINC001088192896	827393591	/nfs/dbraw/zinc/39/35/91/827393591.db2.gz	AFGLIMQNKDESIL-MSOLQXFVSA-N	1	0	350.426	1.130	20	30		FDEDRO
C=C[C@H](C(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)C)CC[C@@H]2C1)c1ccccc1	ZINC001088209958	827480673	/nfs/dbraw/zinc/48/06/73/827480673.db2.gz	RAYFHKWPABTTPC-QYZOEREBSA-N	1	0	355.482	1.825	20	30		FDEDRO
Cc1nonc1C(=O)N1C[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)CC[C@@H]2C1	ZINC001088220644	827548600	/nfs/dbraw/zinc/54/86/00/827548600.db2.gz	NRXORJGYXYHGDJ-SJORKVTESA-N	1	0	368.412	1.963	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)CC2)C1	ZINC001088236200	827612161	/nfs/dbraw/zinc/61/21/61/827612161.db2.gz	OFSCXORINUVLKZ-GUDVDZBRSA-N	1	0	370.497	1.486	20	30		FDEDRO
C#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)CC2)C1	ZINC001088238611	827651061	/nfs/dbraw/zinc/65/10/61/827651061.db2.gz	YMQHNJYLGDKOKW-GUDVDZBRSA-N	1	0	370.497	1.486	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1	ZINC001088239510	827662241	/nfs/dbraw/zinc/66/22/41/827662241.db2.gz	YKDGGZJMUUOECK-WTGUMLROSA-N	1	0	360.498	1.907	20	30		FDEDRO
N#Cc1ccc(OCc2ccc(C(=O)NCCN3CCC(O)CC3)o2)cc1	ZINC000456591630	827770104	/nfs/dbraw/zinc/77/01/04/827770104.db2.gz	WJBAABUADHKPOP-UHFFFAOYSA-N	1	0	369.421	1.917	20	30		FDEDRO
CCNC(NCc1cccc(NC(=O)CCN2CCOCC2)c1)=[NH+]CC	ZINC000303254270	827825869	/nfs/dbraw/zinc/82/58/69/827825869.db2.gz	DOTXHFVJUHXTSB-UHFFFAOYSA-N	1	0	361.490	1.422	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cnn(CCOCC)c2)C[C@H]1C(F)(F)F	ZINC001112185140	827879485	/nfs/dbraw/zinc/87/94/85/827879485.db2.gz	WFOPAXDGKLUPCJ-ZIAGYGMSSA-N	1	0	360.380	1.698	20	30		FDEDRO
CC(C)(C#N)c1ccc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1	ZINC000475519159	827883496	/nfs/dbraw/zinc/88/34/96/827883496.db2.gz	FPVOLSVOPPYJOA-INIZCTEOSA-N	1	0	356.470	1.805	20	30		FDEDRO
COCC[N@H+](C)CCOc1cccc(CNC(=O)c2cnn(C)c2C#N)c1	ZINC000475606960	828141396	/nfs/dbraw/zinc/14/13/96/828141396.db2.gz	KEVGJJINVOBLJG-UHFFFAOYSA-N	1	0	371.441	1.179	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+](C)C2CCN(C(=O)[C@@H]3CCO[C@H]3C=C)CC2)C1=O	ZINC000985660524	828839613	/nfs/dbraw/zinc/83/96/13/828839613.db2.gz	JBPJAFUNISBNLH-SQNIBIBYSA-N	1	0	361.486	1.287	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)C[C@@H]2CCNC(=O)CC2)CC1	ZINC000985661728	828875041	/nfs/dbraw/zinc/87/50/41/828875041.db2.gz	PJCYCDPYNRJGCH-JQHSSLGASA-N	1	0	363.502	1.417	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](CO)C[C@@H](OCCOC)C2)CC1	ZINC000447774993	828884228	/nfs/dbraw/zinc/88/42/28/828884228.db2.gz	BORHNRPZVSEWRW-SJLPKXTDSA-N	1	0	369.506	1.082	20	30		FDEDRO
Cn1ncc(C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)c1C#N	ZINC000527240137	829000357	/nfs/dbraw/zinc/00/03/57/829000357.db2.gz	WLLUXLCGWRNYOX-UHFFFAOYSA-N	1	0	366.425	1.322	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCC1)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000527298544	829023224	/nfs/dbraw/zinc/02/32/24/829023224.db2.gz	YBUYYXHJSUVHAP-FGTMMUONSA-N	1	0	361.534	1.428	20	30		FDEDRO
Cc1nn(C)c(N2CCN(C(=O)NC3CC[NH+](C(C)C)CC3)CC2)c1C#N	ZINC000527315188	829026782	/nfs/dbraw/zinc/02/67/82/829026782.db2.gz	CFZQXNSXYVDGNJ-UHFFFAOYSA-N	1	0	373.505	1.305	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@@H+](C)[C@@H]2CCCN(C)C2=O)CC1	ZINC000985695613	829030991	/nfs/dbraw/zinc/03/09/91/829030991.db2.gz	ARDXTQBXAHGCAA-KSZLIROESA-N	1	0	363.502	1.511	20	30		FDEDRO
Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H]3CC[N@@H+](C(C)C)C3)CC2)o1	ZINC000527530496	829096712	/nfs/dbraw/zinc/09/67/12/829096712.db2.gz	DSCYOKWKQKJHMO-HNNXBMFYSA-N	1	0	359.474	1.918	20	30		FDEDRO
CCN(C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CSCC#N)C1)C1CC1	ZINC001111602510	829174776	/nfs/dbraw/zinc/17/47/76/829174776.db2.gz	FMKOLQUNAUJOAV-KSSFIOAISA-N	1	0	364.515	1.225	20	30		FDEDRO
COc1cc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)ccc1C#N	ZINC000448550162	829178916	/nfs/dbraw/zinc/17/89/16/829178916.db2.gz	RABYTKMMTOXAPA-SJLPKXTDSA-N	1	0	356.470	1.647	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CCCNC(=O)C(F)(F)F	ZINC001168101708	829239727	/nfs/dbraw/zinc/23/97/27/829239727.db2.gz	XHJUIXCKKWLYCR-STQMWFEESA-N	1	0	365.396	1.132	20	30		FDEDRO
C[C@@H]1C[C@]1(C#N)C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000448838387	829262500	/nfs/dbraw/zinc/26/25/00/829262500.db2.gz	YAURDKYYFRFUCA-LVCYWYKZSA-N	1	0	367.497	1.992	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)CC1	ZINC000528296471	829342708	/nfs/dbraw/zinc/34/27/08/829342708.db2.gz	PYRKZHFRHIQFAS-GOSISDBHSA-N	1	0	368.485	1.802	20	30		FDEDRO
C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C[C@@H](O)COc2ccccc2C#N)C[C@@H](C)O1	ZINC000528355941	829365157	/nfs/dbraw/zinc/36/51/57/829365157.db2.gz	AAMNIRWMLIGFLP-IZBJGVDFSA-N	1	0	373.497	1.872	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1	ZINC000528381189	829371762	/nfs/dbraw/zinc/37/17/62/829371762.db2.gz	PUHGJEVRGWEJSE-IRXDYDNUSA-N	1	0	367.453	1.715	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@H]1CN1CCOCC1	ZINC000528391017	829378562	/nfs/dbraw/zinc/37/85/62/829378562.db2.gz	CUMFOZNVSKMDCN-RBUKOAKNSA-N	1	0	359.470	1.485	20	30		FDEDRO
C[N@@H+]1CCCC12CCN(CC#CCN1C(=O)c3ccccc3C1=O)CC2	ZINC000528433212	829401608	/nfs/dbraw/zinc/40/16/08/829401608.db2.gz	SXLNGFIDNOQBLY-UHFFFAOYSA-N	1	0	351.450	1.846	20	30		FDEDRO
CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](C[C@H](O)COc2ccccc2C#N)C1	ZINC000528535220	829445963	/nfs/dbraw/zinc/44/59/63/829445963.db2.gz	CPUYTGMZERVTME-BBRMVZONSA-N	1	0	371.359	1.298	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)c3cc(C)c(C)o3)[C@H]2C)CC1	ZINC000987600739	833413178	/nfs/dbraw/zinc/41/31/78/833413178.db2.gz	YQMGHIQMNYMJTO-QAPCUYQASA-N	1	0	371.481	1.961	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N(C)CC(F)(F)F	ZINC001168109977	829533710	/nfs/dbraw/zinc/53/37/10/829533710.db2.gz	IMNCASXFHMTZQJ-JSGCOSHPSA-N	1	0	365.396	1.084	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1	ZINC000528780932	829560293	/nfs/dbraw/zinc/56/02/93/829560293.db2.gz	FDVSSOUCXLPZHE-FCEWJHQRSA-N	1	0	355.394	1.518	20	30		FDEDRO
CC1(C)NC(=O)N(CC[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)C1=O	ZINC000528781949	829561070	/nfs/dbraw/zinc/56/10/70/829561070.db2.gz	IPCAWQUULOSSKB-UHFFFAOYSA-N	1	0	356.426	1.484	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1CC[C@@H](CCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1	ZINC001059653172	829685888	/nfs/dbraw/zinc/68/58/88/829685888.db2.gz	ALHGCBMIPBASOU-BRWVUGGUSA-N	1	0	365.518	1.663	20	30		FDEDRO
Cc1cc(NC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)nn1CCC#N	ZINC000529038427	829692653	/nfs/dbraw/zinc/69/26/53/829692653.db2.gz	CMZGNLICZCYQDG-UHFFFAOYSA-N	1	0	360.462	1.824	20	30		FDEDRO
N#Cc1ccc(CC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cn1	ZINC000529171255	829747692	/nfs/dbraw/zinc/74/76/92/829747692.db2.gz	ZEKPNKREYJWZTC-FQEVSTJZSA-N	1	0	364.449	1.903	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2C)C[C@H]1C(F)(F)F	ZINC001112199891	829988778	/nfs/dbraw/zinc/98/87/78/829988778.db2.gz	AQVFDOPTZMCEDL-MGPQQGTHSA-N	1	0	361.408	1.942	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1Nc1nc(NC(C)(C)C)nc(N[C@@H]2CCO[C@H]2C=C)[nH+]1	ZINC000450765720	830103295	/nfs/dbraw/zinc/10/32/95/830103295.db2.gz	YPKDZCDNNHFETB-KBXIAJHMSA-N	1	0	374.489	1.437	20	30		FDEDRO
C#CC[N@H+]1CCC[C@@H]1COC(=O)CCN1c2ccccc2O[C@@H](C)C1=O	ZINC000729808438	837424857	/nfs/dbraw/zinc/42/48/57/837424857.db2.gz	BPMNFCSVDBUWCT-JKSUJKDBSA-N	1	0	356.422	1.831	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](C)OC2(CC[NH+](CCCO)CC2)C1	ZINC001098646388	837426920	/nfs/dbraw/zinc/42/69/20/837426920.db2.gz	KWYOQFSOEBWDTF-BZSNNMDCSA-N	1	0	366.502	1.432	20	30		FDEDRO
C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1	ZINC001105425673	830240641	/nfs/dbraw/zinc/24/06/41/830240641.db2.gz	VPEQEMPTAWHEHG-FLTJSSMESA-N	1	0	355.482	1.893	20	30		FDEDRO
CCO[C@@H]1C[C@H]([NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C12CCC2	ZINC000451481503	830372481	/nfs/dbraw/zinc/37/24/81/830372481.db2.gz	RHGKXMUPYFQSDD-FGTMMUONSA-N	1	0	362.518	1.616	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F	ZINC000451605189	830401217	/nfs/dbraw/zinc/40/12/17/830401217.db2.gz	COIWLOGHYFCOOY-ZBFHGGJFSA-N	1	0	372.404	1.550	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)CC1	ZINC000451617630	830410724	/nfs/dbraw/zinc/41/07/24/830410724.db2.gz	USWSVXSDQFZKOK-CMKODMSKSA-N	1	0	362.518	1.065	20	30		FDEDRO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H]1COCC1(C)C	ZINC000451825173	830452033	/nfs/dbraw/zinc/45/20/33/830452033.db2.gz	NQVSLCHPXBYMKM-INIZCTEOSA-N	1	0	362.474	1.966	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)CN2CCCC2=O)CCN1Cc1ccc(C#N)cc1F	ZINC001088462242	830496340	/nfs/dbraw/zinc/49/63/40/830496340.db2.gz	MQMAYGNGLHOYBP-DYVFJYSZSA-N	1	0	358.417	1.399	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H](C(=O)OC)[C@H](c2ccccc2)C1	ZINC000452005304	830501978	/nfs/dbraw/zinc/50/19/78/830501978.db2.gz	LZRBLDLOJBFLFI-NJAFHUGGSA-N	1	0	357.454	1.883	20	30		FDEDRO
C[C@@H]1C[C@@H](O)C[N@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000452074121	830517508	/nfs/dbraw/zinc/51/75/08/830517508.db2.gz	ZGMWOTHKWHZTSF-ATZDWAIDSA-N	1	0	374.460	1.237	20	30		FDEDRO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1	ZINC000453671459	831000963	/nfs/dbraw/zinc/00/09/63/831000963.db2.gz	LCTCCTBIOYELQQ-MRXNPFEDSA-N	1	0	370.453	1.376	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1cccc(CC#N)c1	ZINC000453730833	831045269	/nfs/dbraw/zinc/04/52/69/831045269.db2.gz	GNSJWROLDRYZDQ-HNNXBMFYSA-N	1	0	370.453	1.403	20	30		FDEDRO
CC(C)(C#N)c1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1	ZINC000453813282	831092011	/nfs/dbraw/zinc/09/20/11/831092011.db2.gz	CBWSUOCQIBVLGY-QGZVFWFLSA-N	1	0	372.469	1.389	20	30		FDEDRO
Cc1c[nH+]ccc1N1CCC(C(=O)NCC2CCN(CC#N)CC2)CC1	ZINC000532302257	831121908	/nfs/dbraw/zinc/12/19/08/831121908.db2.gz	GNNVLQFZPXQBJB-UHFFFAOYSA-N	1	0	355.486	1.958	20	30		FDEDRO
NC(=O)c1ccc(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)cn1	ZINC000262741670	831200986	/nfs/dbraw/zinc/20/09/86/831200986.db2.gz	JQSDVMPTTDNJBY-UHFFFAOYSA-N	1	0	372.860	1.471	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2C1	ZINC000986159728	831220458	/nfs/dbraw/zinc/22/04/58/831220458.db2.gz	UIBDQKWWPAEBHS-CEXWTWQISA-N	1	0	355.482	1.049	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)CC4(C)CC4)C[C@H]3C2)CC1	ZINC000986245825	831357212	/nfs/dbraw/zinc/35/72/12/831357212.db2.gz	MZWPYDVOUFTSID-MOPGFXCFSA-N	1	0	371.525	1.829	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)C(C)(F)F)CC[C@@H]3C2)CC1	ZINC000986246786	831359269	/nfs/dbraw/zinc/35/92/69/831359269.db2.gz	UTQNXIIVSKHKKN-CVEARBPZSA-N	1	0	367.440	1.294	20	30		FDEDRO
C=C1CC(C)(C(=O)N2CC[C@@H]3CN(C(=O)C[C@@H]4CC[N@@H+](C)C4)C[C@@H]3C2)C1	ZINC000986418979	831645553	/nfs/dbraw/zinc/64/55/53/831645553.db2.gz	QKXJNPPICFRXON-KSZLIROESA-N	1	0	359.514	1.991	20	30		FDEDRO
CC[C@@H](C(=O)N1C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CC[C@@H]2C1)[NH+](C)C	ZINC000986424926	831658122	/nfs/dbraw/zinc/65/81/22/831658122.db2.gz	LUFYCAPQAYFAEL-VYDXJSESSA-N	1	0	357.458	1.147	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)CC[C@@H]3C2)cc1	ZINC000986470736	831732159	/nfs/dbraw/zinc/73/21/59/831732159.db2.gz	OSAOPRXFIGIXEO-HSALFYBXSA-N	1	0	365.477	1.683	20	30		FDEDRO
C#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)C1	ZINC001105430926	831865596	/nfs/dbraw/zinc/86/55/96/831865596.db2.gz	HERRYOCKWSWDSN-YXTQBTIXSA-N	1	0	362.477	1.963	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)C[C@H]1C(F)(F)F	ZINC001112208779	831981242	/nfs/dbraw/zinc/98/12/42/831981242.db2.gz	BKIBAFXUOAVJNM-UPJWGTAASA-N	1	0	368.421	1.509	20	30		FDEDRO
CN1CCC[NH+]=C1NCC1(N2CCN(c3ccccc3)CC2)CCOCC1	ZINC000263083838	832309227	/nfs/dbraw/zinc/30/92/27/832309227.db2.gz	IAKVCVRPQSFTEX-UHFFFAOYSA-N	1	0	371.529	1.639	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1Cc1ccc2c(c1)nnn2C	ZINC001088513505	832330406	/nfs/dbraw/zinc/33/04/06/832330406.db2.gz	VKFNHTLSRZWMMY-DOMZBBRYSA-N	1	0	363.425	1.561	20	30		FDEDRO
C#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1	ZINC001105438312	832336680	/nfs/dbraw/zinc/33/66/80/832336680.db2.gz	CWWVPEDRXRLOEJ-LXGFNABISA-N	1	0	353.466	1.150	20	30		FDEDRO
C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)[C@@H]1C)n1cncn1	ZINC001088530723	832479121	/nfs/dbraw/zinc/47/91/21/832479121.db2.gz	IKIBNEPADFDNJA-VKJFTORMSA-N	1	0	368.441	1.521	20	30		FDEDRO
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@H]2C)cn1	ZINC000987974159	833851655	/nfs/dbraw/zinc/85/16/55/833851655.db2.gz	GCXPRFIPXOCWQM-MNEFBYGVSA-N	1	0	368.481	1.655	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CC[C@H](CN(C)C(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1	ZINC000988067798	833991050	/nfs/dbraw/zinc/99/10/50/833991050.db2.gz	VHZLNYDITSKFST-LSTHTHJFSA-N	1	0	371.525	1.685	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C	ZINC000988322071	834374644	/nfs/dbraw/zinc/37/46/44/834374644.db2.gz	JPEQTHJYRURLSY-VQHPVUNQSA-N	1	0	358.486	1.734	20	30		FDEDRO
CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)NCC(C)(C)CC#N)CC2)C1	ZINC000459262020	834900590	/nfs/dbraw/zinc/90/05/90/834900590.db2.gz	SYWVWGBWQLKNRN-KRWDZBQOSA-N	1	0	365.522	1.363	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)CCN1CC#Cc1ccc(F)cc1	ZINC001088574249	834917481	/nfs/dbraw/zinc/91/74/81/834917481.db2.gz	LFKUQOJVUDVADC-VVWQDTPRSA-N	1	0	371.456	1.671	20	30		FDEDRO
N#Cc1cc(Cl)c(-c2noc([C@H](CO)NC(=O)C[NH3+])n2)cc1Cl	ZINC001211959063	835135323	/nfs/dbraw/zinc/13/53/23/835135323.db2.gz	XQIBUCMOIQHAKE-JTQLQIEISA-N	1	0	356.169	1.023	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1NC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000454450967	835499623	/nfs/dbraw/zinc/49/96/23/835499623.db2.gz	OPSGELXMRFXFPE-SJORKVTESA-N	1	0	360.458	1.121	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)/C=C/c3ccc[nH]3)[C@@H]2C)CC1	ZINC000988505979	835656632	/nfs/dbraw/zinc/65/66/32/835656632.db2.gz	GYWBULWWWIYNPR-NHBNWDHASA-N	1	0	368.481	1.479	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3ccc(C)nc3)[C@@H]2C)CC1	ZINC000988506434	835658332	/nfs/dbraw/zinc/65/83/32/835658332.db2.gz	LUYGYRHTVICRMY-APWZRJJASA-N	1	0	368.481	1.454	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H](F)C(C)C)[C@@H]2C)CC1	ZINC000988506875	835660938	/nfs/dbraw/zinc/66/09/38/835660938.db2.gz	RGLAALQGMAPCTO-PVAVHDDUSA-N	1	0	351.466	1.431	20	30		FDEDRO
CC(C)N1C[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)CC1=O	ZINC001088601608	835945185	/nfs/dbraw/zinc/94/51/85/835945185.db2.gz	GXGQCVLJJFCRBT-MNEFBYGVSA-N	1	0	368.481	1.894	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1	ZINC000667381872	844150590	/nfs/dbraw/zinc/15/05/90/844150590.db2.gz	GXLNJKHOUNDVFK-QGZVFWFLSA-N	1	0	360.458	1.986	20	30		FDEDRO
CO[C@@H]1C[N@H+](CCn2cc(-c3ccccc3)cn2)C[C@H]1NC(=O)[C@@H](C)C#N	ZINC001212041328	836355323	/nfs/dbraw/zinc/35/53/23/836355323.db2.gz	MJIRQJURFBORMS-KFKAGJAMSA-N	1	0	367.453	1.525	20	30		FDEDRO
COc1ccc(OCCC[N@@H+]2C[C@@H](NC(=O)[C@@H](C)C#N)[C@H](OC)C2)cc1	ZINC001212045700	836376100	/nfs/dbraw/zinc/37/61/00/836376100.db2.gz	VFUHDBQVTPSNFD-BMGDILEWSA-N	1	0	361.442	1.439	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4cncs4)[C@@H]3C2)C1=O	ZINC001075914918	836396083	/nfs/dbraw/zinc/39/60/83/836396083.db2.gz	PWWJMFAYIMYTMN-NUEKZKHPSA-N	1	0	360.483	1.005	20	30		FDEDRO
CCN(C[C@@H](C)C#N)C(=O)CN(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000249571909	836491230	/nfs/dbraw/zinc/49/12/30/836491230.db2.gz	OMLMGEOMZSMGTC-RXVVDRJESA-N	1	0	372.513	1.563	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4cn[nH]c(=O)c4)[C@@H]3C2)s1	ZINC001075918413	836847051	/nfs/dbraw/zinc/84/70/51/836847051.db2.gz	MXSGLCJGHJDCAN-XHDPSFHLSA-N	1	0	355.423	1.462	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnn4cc[nH]c34)[C@@H]2C(C)C)C[C@H]1O	ZINC001105669344	844208170	/nfs/dbraw/zinc/20/81/70/844208170.db2.gz	QXBUQCZNNDQFLV-WOCWXWTJSA-N	1	0	371.485	1.818	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1	ZINC000937940267	836898026	/nfs/dbraw/zinc/89/80/26/836898026.db2.gz	DSVYDKIAZLRCSO-KSZLIROESA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc(OC)cc2)[C@@H]1C	ZINC000988738359	836943329	/nfs/dbraw/zinc/94/33/29/836943329.db2.gz	NJDANYKSBJEPOD-MNEFBYGVSA-N	1	0	369.465	1.512	20	30		FDEDRO
CCn1nnc(C)c1C(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H]1C	ZINC001088617524	836989434	/nfs/dbraw/zinc/98/94/34/836989434.db2.gz	OLTDUTIFEWLZKA-PBHICJAKSA-N	1	0	352.442	1.871	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1	ZINC000938037316	837081320	/nfs/dbraw/zinc/08/13/20/837081320.db2.gz	RXRCRPLICUGZLV-JQHSSLGASA-N	1	0	368.437	1.646	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@H]1OC	ZINC001212092976	837109600	/nfs/dbraw/zinc/10/96/00/837109600.db2.gz	ZKUAXXKYLRTLOR-RCCFBDPRSA-N	1	0	354.491	1.601	20	30		FDEDRO
C=CCc1cc(C(=O)N2CCNC[C@@H]2c2nccn2C)cc(OC)c1OC	ZINC000261685308	837221830	/nfs/dbraw/zinc/22/18/30/837221830.db2.gz	HXKDEAZCKHBFDJ-MRXNPFEDSA-N	1	0	370.453	1.953	20	30		FDEDRO
CC[NH+]=C(N[C@@H]1C[C@H]1C1CCCCC1)N1CCN(C(C)(C)C(N)=O)CC1	ZINC000261759562	837285042	/nfs/dbraw/zinc/28/50/42/837285042.db2.gz	ODFMUQDUUDWUBX-DLBZAZTESA-N	1	0	363.550	1.802	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1O	ZINC001083456428	837343863	/nfs/dbraw/zinc/34/38/63/837343863.db2.gz	ULKOEDMWIABVQC-QRVBRYPASA-N	1	0	356.470	1.092	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C	ZINC000989026530	838148420	/nfs/dbraw/zinc/14/84/20/838148420.db2.gz	GZVLRSVMZXHXPK-NCOADZHNSA-N	1	0	361.486	1.312	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@H]1CC(=O)N(C2CC2)C1)C(C)C	ZINC000272553776	838438409	/nfs/dbraw/zinc/43/84/09/838438409.db2.gz	FONADRUOUUOOOB-AEFFLSMTSA-N	1	0	362.518	1.995	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C)cn1	ZINC000989164336	838536523	/nfs/dbraw/zinc/53/65/23/838536523.db2.gz	VACUSLZEHOKLAM-DTDBQYNISA-N	1	0	354.454	1.122	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@@H]1C	ZINC000989188283	838625322	/nfs/dbraw/zinc/62/53/22/838625322.db2.gz	HBKJQTKDRIXLJO-MNEFBYGVSA-N	1	0	353.466	1.410	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C)cc1	ZINC000989216934	838762658	/nfs/dbraw/zinc/76/26/58/838762658.db2.gz	OMDHYCIAICEGGB-MNEFBYGVSA-N	1	0	353.466	1.871	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC(C#N)CC1	ZINC000459923456	839088158	/nfs/dbraw/zinc/08/81/58/839088158.db2.gz	CHIXBEWQEGRJBJ-UHFFFAOYSA-N	1	0	367.453	1.211	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1CC)CCO2	ZINC001105481922	839772043	/nfs/dbraw/zinc/77/20/43/839772043.db2.gz	LQFKCPBVSDYBOG-NZEHOUKNSA-N	1	0	363.502	1.465	20	30		FDEDRO
N#CCOc1cccc(CC(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1	ZINC000760452827	839976043	/nfs/dbraw/zinc/97/60/43/839976043.db2.gz	NJZPRCFLBRDSPQ-GOSISDBHSA-N	1	0	370.453	1.072	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105593817	840308978	/nfs/dbraw/zinc/30/89/78/840308978.db2.gz	GSEOGAQNQXVIGI-PSBWJHGTSA-N	1	0	354.491	1.192	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1	ZINC000667541955	844539791	/nfs/dbraw/zinc/53/97/91/844539791.db2.gz	GJGNLOKHGNOKDR-CJNGLKHVSA-N	1	0	371.441	1.143	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C)n3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105594755	840581396	/nfs/dbraw/zinc/58/13/96/840581396.db2.gz	WMGLGAJJXNPKPP-XLBJILASSA-N	1	0	357.498	1.937	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](CC)C2)cc1	ZINC000667550567	844566304	/nfs/dbraw/zinc/56/63/04/844566304.db2.gz	OZHPMLPYQWLMLU-CZUORRHYSA-N	1	0	358.442	1.127	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105598121	840767143	/nfs/dbraw/zinc/76/71/43/840767143.db2.gz	LDNVONUJKXCTJV-BNDYYXHWSA-N	1	0	355.482	1.993	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C(=O)OCc3ccccc3)C2)CC1	ZINC000923934605	844573392	/nfs/dbraw/zinc/57/33/92/844573392.db2.gz	WZRHMDZDOQFBSL-UAPYVXQJSA-N	1	0	369.465	1.905	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccncc1	ZINC000842039932	840865944	/nfs/dbraw/zinc/86/59/44/840865944.db2.gz	TVKVBVDALNOSDF-ROUUACIJSA-N	1	0	356.470	1.806	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(CC)n[nH]3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105600207	840994521	/nfs/dbraw/zinc/99/45/21/840994521.db2.gz	CXIODQLNVIQYPB-MLYOOKFZSA-N	1	0	358.486	1.575	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(C)C(C)=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105600631	840999967	/nfs/dbraw/zinc/99/99/67/840999967.db2.gz	KQZAFYGPFWLULB-IZBJGVDFSA-N	1	0	365.518	1.397	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCCOC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105603645	841178851	/nfs/dbraw/zinc/17/88/51/841178851.db2.gz	NFLAXEKTCDFPDM-HNBVOPMISA-N	1	0	350.503	1.793	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cc(C)cn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105606400	841205240	/nfs/dbraw/zinc/20/52/40/841205240.db2.gz	CLCKKPODEIGRIQ-LFGUQSLTSA-N	1	0	358.486	1.181	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CNC(=O)CCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105606989	841211001	/nfs/dbraw/zinc/21/10/01/841211001.db2.gz	JRUFLUORGHWQGI-RGCFKVTRSA-N	1	0	351.491	1.055	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCC3CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001105606509	841213542	/nfs/dbraw/zinc/21/35/42/841213542.db2.gz	DRGFRKYQHPIYTP-QCFAMHMHSA-N	1	0	362.514	1.793	20	30		FDEDRO
C=CCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC(C)C)C2)[C@@H]1C(C)C	ZINC001105607678	841232466	/nfs/dbraw/zinc/23/24/66/841232466.db2.gz	VOYLOSULVLWSBL-YKCBXCCJSA-N	1	0	365.518	1.443	20	30		FDEDRO
C=CCCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCOCCOC)C2)[C@H]1C(C)C	ZINC001105607790	841236353	/nfs/dbraw/zinc/23/63/53/841236353.db2.gz	YFCGTTPEZSTLIM-LFGUQSLTSA-N	1	0	368.518	1.582	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C)nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105610126	841559583	/nfs/dbraw/zinc/55/95/83/841559583.db2.gz	IEOZODUXBPDSOA-FTEYMNFISA-N	1	0	358.486	1.332	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3n[nH]c(C)c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105610381	841640388	/nfs/dbraw/zinc/64/03/88/841640388.db2.gz	KEWQJWSTBIPEKV-QQTQMKHKSA-N	1	0	358.486	1.630	20	30		FDEDRO
C=CCn1cccc1C(=O)N1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@H]1C	ZINC000990003750	841790258	/nfs/dbraw/zinc/79/02/58/841790258.db2.gz	ZRMKTKQYIAKOMG-ZACQAIPSSA-N	1	0	358.486	1.878	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3oc(C)nc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105615014	842228488	/nfs/dbraw/zinc/22/84/88/842228488.db2.gz	NIXRRZPAEABHRV-HBXLWWENSA-N	1	0	359.470	1.894	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc(=O)[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105615536	842231073	/nfs/dbraw/zinc/23/10/73/842231073.db2.gz	WVFFPRDYXCRTEH-ZTRFORPCSA-N	1	0	357.454	1.390	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(OC)no3)[C@H]2C(C)C)C[C@H]1O	ZINC001105619106	842235823	/nfs/dbraw/zinc/23/58/23/842235823.db2.gz	FUCWYMOBLDGPEE-GNSPCKGOSA-N	1	0	361.442	1.286	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCC(=O)NC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619574	842238398	/nfs/dbraw/zinc/23/83/98/842238398.db2.gz	NRLXIQIJJXYREI-OHDICMOHSA-N	1	0	351.491	1.055	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(=O)NCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001105619595	842238517	/nfs/dbraw/zinc/23/85/17/842238517.db2.gz	OAZPFJOOPOZJFH-RGCFKVTRSA-N	1	0	351.491	1.055	20	30		FDEDRO
CC(C)[C@H]1N(C(=O)c2ccc(C#N)[nH]2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCF)C2	ZINC001105619544	842238684	/nfs/dbraw/zinc/23/86/84/842238684.db2.gz	MYGZCSQCYWISSB-YWTNHNAXSA-N	1	0	362.449	1.826	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)ncn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105620119	842242123	/nfs/dbraw/zinc/24/21/23/842242123.db2.gz	WTAOOKAFWIGKBP-SOAMZJECSA-N	1	0	356.470	1.388	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3nccc(C)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001105622593	842248239	/nfs/dbraw/zinc/24/82/39/842248239.db2.gz	DHHJXTDHMBFRTL-WWNBULGVSA-N	1	0	356.470	1.388	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCOCC=C)C2)[C@@H]1C(C)C	ZINC001105623167	842250596	/nfs/dbraw/zinc/25/05/96/842250596.db2.gz	NSGFYHHOZWGJQZ-RMVXJAJNSA-N	1	0	362.514	1.959	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105623136	842250679	/nfs/dbraw/zinc/25/06/79/842250679.db2.gz	NGVJETYUPBIAEV-SOAMZJECSA-N	1	0	354.454	1.489	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3[nH]c(=O)[nH]c3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637044	842270175	/nfs/dbraw/zinc/27/01/75/842270175.db2.gz	IOXSDKGKOLHFPA-UMHPPVOVSA-N	1	0	360.458	1.027	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)C(N)=O)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637174	842270317	/nfs/dbraw/zinc/27/03/17/842270317.db2.gz	KVRBMEVVWMJCIR-AXHMDWHKSA-N	1	0	365.518	1.430	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(CCOC)CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637652	842272658	/nfs/dbraw/zinc/27/26/58/842272658.db2.gz	TVWLXRBYYHNRCQ-NEYJZJCJSA-N	1	0	362.514	1.793	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3n[nH]c4c3CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001105637802	842273593	/nfs/dbraw/zinc/27/35/93/842273593.db2.gz	VXTFJAHMFOIIHA-PLOVASNDSA-N	1	0	370.497	1.501	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cncs3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105637996	842275354	/nfs/dbraw/zinc/27/53/54/842275354.db2.gz	YOIGKERAMNEROP-RWQQGDIJSA-N	1	0	361.511	1.675	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCOCCO)C2)[C@H]1C(C)C	ZINC001105633792	842283297	/nfs/dbraw/zinc/28/32/97/842283297.db2.gz	WZPFDEZFVCLYRN-LFGUQSLTSA-N	1	0	368.518	1.318	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001105642897	842321531	/nfs/dbraw/zinc/32/15/31/842321531.db2.gz	OKMOSTZNQVCUTF-SOAMZJECSA-N	1	0	358.486	1.941	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3coc(OC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105643306	842334564	/nfs/dbraw/zinc/33/45/64/842334564.db2.gz	WPGLOGBAMCJFDO-ZIGSKRJUSA-N	1	0	361.442	1.286	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3csc(=O)[nH]3)[C@H]2C(C)C)C[C@H]1O	ZINC001105646277	842405640	/nfs/dbraw/zinc/40/56/40/842405640.db2.gz	IFMJAWRYHHFJGW-TXPWEPMLSA-N	1	0	363.483	1.452	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CCOC)C3)[C@H]2C(C)C)cc1	ZINC001105646378	842406747	/nfs/dbraw/zinc/40/67/47/842406747.db2.gz	JFBOBPIISYZPCT-VMBXEPDQSA-N	1	0	370.493	1.894	20	30		FDEDRO
C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCC(F)F)[C@@H]2C(C)C)C[C@H]1O	ZINC001105647820	842414544	/nfs/dbraw/zinc/41/45/44/842414544.db2.gz	UVTSOXOZYGHKHV-DTDBQYNISA-N	1	0	360.445	1.810	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ocnc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001105656301	842492259	/nfs/dbraw/zinc/49/22/59/842492259.db2.gz	ORQMJOHBIORGKU-HBXLWWENSA-N	1	0	359.470	1.840	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccn(CC)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105656239	842492313	/nfs/dbraw/zinc/49/23/13/842492313.db2.gz	OJNPFIGSKJVLQC-MLYOOKFZSA-N	1	0	358.486	1.506	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CCOC)C3)[C@H]2C(C)C)c1	ZINC001105657599	842494859	/nfs/dbraw/zinc/49/48/59/842494859.db2.gz	ZKPWOGALRDCOKJ-XCJLJZCSSA-N	1	0	371.481	1.289	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3nccc3C)[C@H]2C(C)C)C[C@H]1O	ZINC001105657590	842495116	/nfs/dbraw/zinc/49/51/16/842495116.db2.gz	ZIMGEMCGZOTMCP-JYBIWHBTSA-N	1	0	358.486	1.181	20	30		FDEDRO
C=CCN1CC[C@H](N2CC[C@H](NC(=O)c3cc(Cl)n(C)n3)[C@H]2C)C1=O	ZINC001088730728	842632382	/nfs/dbraw/zinc/63/23/82/842632382.db2.gz	QUFDYINZIPMALP-DYEKYZERSA-N	1	0	365.865	1.053	20	30		FDEDRO
C=CCN1CC[C@H](N2CC[C@H](NC(=O)c3ncc4ccccn43)[C@H]2C)C1=O	ZINC001088745987	842759129	/nfs/dbraw/zinc/75/91/29/842759129.db2.gz	DTSQAXWVZXNOTK-PVAVHDDUSA-N	1	0	367.453	1.314	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(CC=C)nn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105664244	842891123	/nfs/dbraw/zinc/89/11/23/842891123.db2.gz	XHYKQYBSUNBKJB-UIXUWTQFSA-N	1	0	371.485	1.067	20	30		FDEDRO
CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3cnccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001105666745	843308420	/nfs/dbraw/zinc/30/84/20/843308420.db2.gz	JBBORQFXKJUCQV-UKAVVXHISA-N	1	0	370.497	1.399	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH]c(C)cc3=O)[C@H]2C(C)C)C[C@H]1O	ZINC001105666881	843334699	/nfs/dbraw/zinc/33/46/99/843334699.db2.gz	KTJVFORELPEKOI-RDPOXOKHSA-N	1	0	371.481	1.286	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCCC1	ZINC000477895099	843441769	/nfs/dbraw/zinc/44/17/69/843441769.db2.gz	LSHZKCBFFZCAEZ-AWEZNQCLSA-N	1	0	358.442	1.886	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)cc1	ZINC000667264320	843469961	/nfs/dbraw/zinc/46/99/61/843469961.db2.gz	JLTOFJOFOJQGFC-HNNXBMFYSA-N	1	0	359.430	1.191	20	30		FDEDRO
[NH3+]C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C#Cc3cccs3)c2)C1	ZINC000667277158	843508891	/nfs/dbraw/zinc/50/88/91/843508891.db2.gz	QLUMXFHHCHTHQA-HNNXBMFYSA-N	1	0	353.447	1.894	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)c2coc(C(N)=O)c2)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001088769205	843643817	/nfs/dbraw/zinc/64/38/17/843643817.db2.gz	XBQNFYUWTXXDAM-WBMJQRKESA-N	1	0	352.394	1.643	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCC(=O)NCCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105668499	843800326	/nfs/dbraw/zinc/80/03/26/843800326.db2.gz	KFTNMXSOVUVPQV-YKCBXCCJSA-N	1	0	365.518	1.445	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088803696	844663774	/nfs/dbraw/zinc/66/37/74/844663774.db2.gz	QKWGCZUCWWIARW-UVMNYOIOSA-N	1	0	355.438	1.560	20	30		FDEDRO
Cc1ccc(CNC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1C#N	ZINC000916072886	881340652	/nfs/dbraw/zinc/34/06/52/881340652.db2.gz	HIVCFSKBDDJMIL-SFHVURJKSA-N	1	0	371.485	1.609	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)cc1C#N	ZINC000842181203	845373876	/nfs/dbraw/zinc/37/38/76/845373876.db2.gz	VVPUASQNHQCDGT-ZDUSSCGKSA-N	1	0	366.421	1.519	20	30		FDEDRO
C=CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@]2(CC)c1cccc(NC(=O)C2C[NH+](C)C2)c1	ZINC001142599362	845407165	/nfs/dbraw/zinc/40/71/65/845407165.db2.gz	VBEPGHPHGQKMGI-UPHUGPLXSA-N	1	0	367.449	1.635	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)CCC[NH+]2CCCC2)C[C@@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001105674947	845614854	/nfs/dbraw/zinc/61/48/54/845614854.db2.gz	JVVVNZQOIGORQU-IZBJGVDFSA-N	1	0	362.518	1.352	20	30		FDEDRO
C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NCC3(C#N)CCC3)cc2)CC1	ZINC000842221897	845742617	/nfs/dbraw/zinc/74/26/17/845742617.db2.gz	BJTCORAPTAEIAQ-UHFFFAOYSA-N	1	0	369.469	1.577	20	30		FDEDRO
C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCCOCC)[C@H]2C(C)C)C[C@H]1O	ZINC001105676566	845955259	/nfs/dbraw/zinc/95/52/59/845955259.db2.gz	XICKPRHDHDGOMM-JYBIWHBTSA-N	1	0	366.502	1.029	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC3CC3)C2)[C@H]1C(C)C	ZINC001105676688	845987488	/nfs/dbraw/zinc/98/74/88/845987488.db2.gz	YHLRXMVWLCXDTD-LFGUQSLTSA-N	1	0	350.503	1.955	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@H]2CCCc3nn[nH]c32)CCN1CC#Cc1ccccc1	ZINC001088824114	846388374	/nfs/dbraw/zinc/38/83/74/846388374.db2.gz	QMDJCQGLGKNPMZ-NJAFHUGGSA-N	1	0	363.465	1.855	20	30		FDEDRO
CCC1([NH+]2CCC2)CCN(C(=O)C(=NOC)c2csc(N)n2)CC1	ZINC000899555339	846411640	/nfs/dbraw/zinc/41/16/40/846411640.db2.gz	VOUCCJVRJBLOPN-UHFFFAOYSA-N	1	0	351.476	1.553	20	30		FDEDRO
CON=C(C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)c1csc(N)n1	ZINC000899809071	846724274	/nfs/dbraw/zinc/72/42/74/846724274.db2.gz	FCPCMRSKIUYFSG-LLVKDONJSA-N	1	0	360.443	1.208	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1	ZINC000899940692	846912771	/nfs/dbraw/zinc/91/27/71/846912771.db2.gz	VAKLCYWIPDOLPR-UHFFFAOYSA-N	1	0	364.471	1.604	20	30		FDEDRO
C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000899967837	846955740	/nfs/dbraw/zinc/95/57/40/846955740.db2.gz	XORRGCNKPMHHHM-HXUWFJFHSA-N	1	0	356.470	1.049	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnns1)C2	ZINC001112269997	847000903	/nfs/dbraw/zinc/00/09/03/847000903.db2.gz	UNCOVMPVYDEVEL-DCGLDWPTSA-N	1	0	363.487	1.061	20	30		FDEDRO
Cc1cc(NC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C#N)cn1	ZINC001060100590	847359785	/nfs/dbraw/zinc/35/97/85/847359785.db2.gz	ADVFMFWJAFHLMM-SOLBZPMBSA-N	1	0	355.486	1.674	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(CO)cc4)C[C@H]32)c1	ZINC001076223185	847591054	/nfs/dbraw/zinc/59/10/54/847591054.db2.gz	MZJGFQHAAFFKHV-PZJWPPBQSA-N	1	0	361.445	1.902	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4c[nH]c(=O)cc4C)[C@@H]3C2)C1=O	ZINC001076225566	847600469	/nfs/dbraw/zinc/60/04/69/847600469.db2.gz	QWQNIHZCTKVOAF-USXIJHARSA-N	1	0	370.453	1.029	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C5CC5)no4)[C@@H]3C2)C1=O	ZINC001076309142	847826026	/nfs/dbraw/zinc/82/60/26/847826026.db2.gz	AIXSNROHFJAENE-USXIJHARSA-N	1	0	370.453	1.485	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CC[C@H]3C[N@H+](CCn4cccn4)C[C@H]32)cc1	ZINC001076334519	847873637	/nfs/dbraw/zinc/87/36/37/847873637.db2.gz	ZXDHYCNWQRBGSL-AZUAARDMSA-N	1	0	364.449	1.742	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)C1	ZINC001076443659	848129233	/nfs/dbraw/zinc/12/92/33/848129233.db2.gz	UGMZYLIAKOBZNA-AYOQOUSVSA-N	1	0	366.465	1.459	20	30		FDEDRO
C=C(Br)CN1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1	ZINC001076467402	848193744	/nfs/dbraw/zinc/19/37/44/848193744.db2.gz	KWKGOKQYEQRDLR-UONOGXRCSA-N	1	0	354.292	1.524	20	30		FDEDRO
CN(C)c1ccc(C(N)=[NH+]OCC(=O)NC2CC[NH+](C3CC3)CC2)cc1	ZINC000151287674	861897394	/nfs/dbraw/zinc/89/73/94/861897394.db2.gz	KVNJVLOOCUYPMI-UHFFFAOYSA-N	1	0	359.474	1.133	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4ccccc4C)[C@@H]3C2)C1=O	ZINC001076551958	848390707	/nfs/dbraw/zinc/39/07/07/848390707.db2.gz	BMDUZIKIOGQKAB-SLFFLAALSA-N	1	0	367.493	1.857	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C)n(C)c4C)[C@@H]3C2)C1=O	ZINC001076550162	848411517	/nfs/dbraw/zinc/41/15/17/848411517.db2.gz	TULRNDSBXYJCKH-YTQUADARSA-N	1	0	370.497	1.575	20	30		FDEDRO
C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(Cc4cc(F)ccc4C#N)C[C@H]32)C1	ZINC001076568882	848462520	/nfs/dbraw/zinc/46/25/20/848462520.db2.gz	BCYFMFGJVBKONO-TXPKVOOTSA-N	1	0	356.445	1.682	20	30		FDEDRO
Cn1cc(CCC(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)nn1	ZINC001076640656	848633404	/nfs/dbraw/zinc/63/34/04/848633404.db2.gz	KWWXVGNBUZKYNM-PKOBYXMFSA-N	1	0	364.453	1.352	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(C#N)ccn3)cn2)CC1	ZINC000482958720	849042343	/nfs/dbraw/zinc/04/23/43/849042343.db2.gz	BCXOJBXNLRPQAG-UHFFFAOYSA-N	1	0	350.426	1.420	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc4cccnc43)C[C@H]2O)c[nH]1	ZINC001076906126	849300216	/nfs/dbraw/zinc/30/02/16/849300216.db2.gz	OADDUKCVIJDXHE-QZTJIDSGSA-N	1	0	361.405	1.410	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCc3ccc(Cl)cc3)C[C@H]2O)c[nH]1	ZINC001076907242	849301387	/nfs/dbraw/zinc/30/13/87/849301387.db2.gz	GXHSBQVCDQVBCH-IAGOWNOFSA-N	1	0	358.829	1.557	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1O	ZINC001076985921	849475080	/nfs/dbraw/zinc/47/50/80/849475080.db2.gz	DGUPROBPCUZKMF-IXDOHACOSA-N	1	0	362.499	1.154	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O	ZINC001077092073	849729495	/nfs/dbraw/zinc/72/94/95/849729495.db2.gz	CBESAVDSRPMGJG-HSALFYBXSA-N	1	0	355.482	1.074	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2CC[C@@]3(CCC[NH2+]3)C2)ccc1Br	ZINC000903504660	850184050	/nfs/dbraw/zinc/18/40/50/850184050.db2.gz	WGNJXUYXUVWBHE-AWEZNQCLSA-N	1	0	370.272	1.837	20	30		FDEDRO
N#Cc1ccccc1CN1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1	ZINC001077312132	850513670	/nfs/dbraw/zinc/51/36/70/850513670.db2.gz	PEAFRBIZUUPSME-RTBURBONSA-N	1	0	361.405	1.181	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1	ZINC000904986757	851587039	/nfs/dbraw/zinc/58/70/39/851587039.db2.gz	LLPKLWZMNBEIRP-MRXNPFEDSA-N	1	0	374.510	1.815	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1	ZINC000905065578	851650716	/nfs/dbraw/zinc/65/07/16/851650716.db2.gz	PYFXBXWBYIXJLE-NSHDSACASA-N	1	0	369.325	1.486	20	30		FDEDRO
C[C@](O)(C[NH2+]C[C@H](N1CCOCC1)C(F)(F)F)C(F)(F)C(F)(F)F	ZINC000905255756	851779352	/nfs/dbraw/zinc/77/93/52/851779352.db2.gz	JHJLMVAKNVARQV-IUCAKERBSA-N	1	0	374.272	1.788	20	30		FDEDRO
CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)NCC#CC[NH+](C)C)C1	ZINC000913524203	862290225	/nfs/dbraw/zinc/29/02/25/862290225.db2.gz	CZYCVLOPLUZXJN-KSSFIOAISA-N	1	0	353.463	1.082	20	30		FDEDRO
CC(=O)N[C@H](C(=O)NCC#CC[NH+](C)C)c1cccc(Br)c1	ZINC000913525473	862291723	/nfs/dbraw/zinc/29/17/23/862291723.db2.gz	YUZWJHQHBRZQMH-HNNXBMFYSA-N	1	0	366.259	1.308	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1	ZINC000913514196	862292759	/nfs/dbraw/zinc/29/27/59/862292759.db2.gz	IIJMMXGGYVKWKV-FQEVSTJZSA-N	1	0	363.461	1.709	20	30		FDEDRO
C=CCc1cc(CNS(=O)(=O)CC2CC[NH2+]CC2)cc(OC)c1OC	ZINC000905334023	851866847	/nfs/dbraw/zinc/86/68/47/851866847.db2.gz	BGLPHQRHTDPQQJ-UHFFFAOYSA-N	1	0	368.499	1.851	20	30		FDEDRO
CN(CCC#N)C[C@H](O)CNc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000905438450	851942307	/nfs/dbraw/zinc/94/23/07/851942307.db2.gz	KIEMWUWVUAKCMK-WOJBJXKFSA-N	1	0	357.502	1.589	20	30		FDEDRO
C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCC#CC[NH+](C)C	ZINC000913517048	862301533	/nfs/dbraw/zinc/30/15/33/862301533.db2.gz	QFLUKVKQCNURKX-NSHDSACASA-N	1	0	356.253	1.793	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)c1cnn(-c2ccccc2)c1Br	ZINC000913521268	862306327	/nfs/dbraw/zinc/30/63/27/862306327.db2.gz	RMSBXDJTKJOTTJ-UHFFFAOYSA-N	1	0	361.243	1.930	20	30		FDEDRO
C#CCNC(=O)CC[NH2+]Cc1ccn(-c2ccc(Br)cc2)n1	ZINC000905478004	851951288	/nfs/dbraw/zinc/95/12/88/851951288.db2.gz	GXUYWWKXIVORAB-UHFFFAOYSA-N	1	0	361.243	1.864	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1	ZINC000913519352	862303981	/nfs/dbraw/zinc/30/39/81/862303981.db2.gz	WWCWRCAPDBACLX-QGZVFWFLSA-N	1	0	359.470	1.976	20	30		FDEDRO
C=C(C)Cn1c(SCC(=O)NCC#CC[NH+](C)C)nnc1-c1ccco1	ZINC000913520007	862304048	/nfs/dbraw/zinc/30/40/48/862304048.db2.gz	YFROVPFLJKRHQF-UHFFFAOYSA-N	1	0	373.482	1.888	20	30		FDEDRO
C[NH+](C)CC#CCNC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1	ZINC000913519351	862304348	/nfs/dbraw/zinc/30/43/48/862304348.db2.gz	WWCWRCAPDBACLX-KRWDZBQOSA-N	1	0	359.470	1.976	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c(OC)c1	ZINC000905572360	852045236	/nfs/dbraw/zinc/04/52/36/852045236.db2.gz	PWNNJQZIBRKOQX-WWNBULGVSA-N	1	0	363.454	1.557	20	30		FDEDRO
CN(CCC#N)C[C@@H](O)C[NH2+]C1CN(c2ccc(C(F)(F)F)cc2)C1	ZINC000905552720	852055260	/nfs/dbraw/zinc/05/52/60/852055260.db2.gz	OJOHSWBXERAZOT-INIZCTEOSA-N	1	0	356.392	1.690	20	30		FDEDRO
Cn1cc([C@]2(C[NH2+]C[C@@H](O)COc3ccc(C#N)cc3)CCCO2)cn1	ZINC000905688016	852144798	/nfs/dbraw/zinc/14/47/98/852144798.db2.gz	SAVSKGHQUFUDQM-IEBWSBKVSA-N	1	0	356.426	1.327	20	30		FDEDRO
C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1	ZINC000668582756	853619593	/nfs/dbraw/zinc/61/95/93/853619593.db2.gz	ZWUHLXARXZIJAK-KSZLIROESA-N	1	0	364.534	1.237	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1	ZINC000907163680	853863772	/nfs/dbraw/zinc/86/37/72/853863772.db2.gz	AQGPZIKGIAHJCD-QGZVFWFLSA-N	1	0	356.451	1.754	20	30		FDEDRO
C#Cc1ccc(S(=O)(=O)N(CCOC)CC2CC[NH+](C)CC2)cc1	ZINC000907311008	854014762	/nfs/dbraw/zinc/01/47/62/854014762.db2.gz	YQNNCQOKTQMQDG-UHFFFAOYSA-N	1	0	350.484	1.647	20	30		FDEDRO
C=CCCC[NH+]1CC(OC2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1	ZINC001105713656	862522502	/nfs/dbraw/zinc/52/25/02/862522502.db2.gz	OMOMZDPVUOLOSE-YJBOKZPZSA-N	1	0	352.475	1.448	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)NC1CC[NH+](C2CCOCC2)CC1	ZINC000907327427	854082172	/nfs/dbraw/zinc/08/21/72/854082172.db2.gz	DEABRQQHCQQJSR-UHFFFAOYSA-N	1	0	363.483	1.788	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)NC2CC[NH+](C3CCOCC3)CC2)cc1	ZINC000907330299	854086072	/nfs/dbraw/zinc/08/60/72/854086072.db2.gz	NXIKHAIJMWAZOD-UHFFFAOYSA-N	1	0	363.483	1.621	20	30		FDEDRO
CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000907720859	854563925	/nfs/dbraw/zinc/56/39/25/854563925.db2.gz	BRAVHJZLFDRVBS-RTBURBONSA-N	1	0	368.481	1.897	20	30		FDEDRO
N#CCc1ccc(CS(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cc1	ZINC000908013518	854908800	/nfs/dbraw/zinc/90/88/00/854908800.db2.gz	TUUWNMNSRKEEQH-ZWKOTPCHSA-N	1	0	363.483	1.113	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CC(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1	ZINC000908185034	855153688	/nfs/dbraw/zinc/15/36/88/855153688.db2.gz	CVOJJRPUSZOMTM-IBGZPJMESA-N	1	0	368.481	1.529	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1CCCCC1	ZINC000908437678	855423416	/nfs/dbraw/zinc/42/34/16/855423416.db2.gz	RDZRRNFHIHXIOJ-SFHVURJKSA-N	1	0	373.501	1.089	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C	ZINC000908459270	855443931	/nfs/dbraw/zinc/44/39/31/855443931.db2.gz	DUEKMHDAZDNMEW-RHSMWYFYSA-N	1	0	367.519	1.281	20	30		FDEDRO
C#CCCCc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1C	ZINC000908535859	855543996	/nfs/dbraw/zinc/54/39/96/855543996.db2.gz	VVXKXGFPVKPQLP-UHFFFAOYSA-N	1	0	358.534	1.766	20	30		FDEDRO
C=CCn1c(-c2cn[nH]c2)nnc1N1CCN(c2cc[nH+]cc2)[C@H](C)C1	ZINC000908694169	855683199	/nfs/dbraw/zinc/68/31/99/855683199.db2.gz	VUUWXFYIXYVVFS-CQSZACIVSA-N	1	0	350.430	1.964	20	30		FDEDRO
C=CCn1c(-c2ncnc3[nH]cnc32)nnc1N1CCC[N@@H+](C(C)C)CC1	ZINC000908715846	855720506	/nfs/dbraw/zinc/72/05/06/855720506.db2.gz	VNPAZQKIYZIAKU-UHFFFAOYSA-N	1	0	367.461	1.670	20	30		FDEDRO
COCCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@H](C#N)C1	ZINC000909157845	856213766	/nfs/dbraw/zinc/21/37/66/856213766.db2.gz	ZMJRZXNKIBZRAD-OAGGEKHMSA-N	1	0	360.462	1.200	20	30		FDEDRO
C=C(C)Cn1c(-c2cccnn2)nnc1N1CCN([C@@H]2CCOC2)CC1	ZINC000909308045	856420939	/nfs/dbraw/zinc/42/09/39/856420939.db2.gz	WDFLYFUYXVXTRL-OAHLLOKOSA-N	1	0	355.446	1.222	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](N(C)c3ccccc3)C2)CC1	ZINC000668835763	857454367	/nfs/dbraw/zinc/45/43/67/857454367.db2.gz	JDFAYWQCROOZKT-IBGZPJMESA-N	1	0	370.497	1.490	20	30		FDEDRO
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1	ZINC000910698842	857540299	/nfs/dbraw/zinc/54/02/99/857540299.db2.gz	DSMQEJMNAWSUIM-INIZCTEOSA-N	1	0	374.510	1.768	20	30		FDEDRO
CC(C)[N@H+](CCO)CC1CCN(C(=O)CC2(C#N)CCOCC2)CC1	ZINC000910877782	857820161	/nfs/dbraw/zinc/82/01/61/857820161.db2.gz	LHYFEQKATBFKHP-UHFFFAOYSA-N	1	0	351.491	1.638	20	30		FDEDRO
C#CCN(C(=O)C(=O)N(C)Cc1ncc(CC)s1)C1CC[NH+](C)CC1	ZINC000910882026	857830435	/nfs/dbraw/zinc/83/04/35/857830435.db2.gz	BCKDPDYRCGITOB-UHFFFAOYSA-N	1	0	362.499	1.220	20	30		FDEDRO
C#CCN(C(=O)C(=O)N1CC[C@@H](c2ccccc2C)C1)C1CC[NH+](C)CC1	ZINC000910884406	857834649	/nfs/dbraw/zinc/83/46/49/857834649.db2.gz	CAJRLZGQZIYVTI-GOSISDBHSA-N	1	0	367.493	1.867	20	30		FDEDRO
C#CCN(C(=O)C(=O)N(C)Cc1cc(C)ccc1F)C1CC[NH+](C)CC1	ZINC000910886038	857838560	/nfs/dbraw/zinc/83/85/60/857838560.db2.gz	JMUZUNVEAKCQLL-UHFFFAOYSA-N	1	0	359.445	1.649	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1	ZINC000910954018	857924638	/nfs/dbraw/zinc/92/46/38/857924638.db2.gz	WVIBSMNESCCDDT-QUJKESNLSA-N	1	0	371.481	1.259	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1=O	ZINC000348568850	857954922	/nfs/dbraw/zinc/95/49/22/857954922.db2.gz	HDNLSTXQYDRFQU-SFHVURJKSA-N	1	0	373.453	1.784	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21	ZINC000911014665	858040147	/nfs/dbraw/zinc/04/01/47/858040147.db2.gz	JNVCJSLRVKFOQH-UZLBHIALSA-N	1	0	373.453	1.067	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCN(C(C)=O)CC1	ZINC000669336482	863014351	/nfs/dbraw/zinc/01/43/51/863014351.db2.gz	JAJHMXNUJBZRNC-SJORKVTESA-N	1	0	374.489	1.058	20	30		FDEDRO
C=C(C)Cn1c(-c2cc[nH]n2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000669340195	863027266	/nfs/dbraw/zinc/02/72/66/863027266.db2.gz	VHPRNTRBLHYXBN-OAHLLOKOSA-N	1	0	357.462	1.403	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)cc1C#N	ZINC000911364449	858525609	/nfs/dbraw/zinc/52/56/09/858525609.db2.gz	GZDDXEXBMALLPL-IBGZPJMESA-N	1	0	362.433	1.314	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1C#N	ZINC000911431616	858613047	/nfs/dbraw/zinc/61/30/47/858613047.db2.gz	BBIICHQTPSRZFF-GOSISDBHSA-N	1	0	368.481	1.721	20	30		FDEDRO
Cc1ccc(CNC(=O)C(=O)N2CCC(C(C)(C)C[NH3+])CC2)cc1C#N	ZINC000911437071	858619614	/nfs/dbraw/zinc/61/96/14/858619614.db2.gz	XIBXMJGVVFDHIN-UHFFFAOYSA-N	1	0	356.470	1.706	20	30		FDEDRO
C=CCN(C(=O)C(=O)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C	ZINC000911573630	858796086	/nfs/dbraw/zinc/79/60/86/858796086.db2.gz	KWQGSAYABJATAG-OXJNMPFZSA-N	1	0	357.454	1.782	20	30		FDEDRO
C[C@H]1CN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C[C@H](C)N1CC#N	ZINC000911710324	858917917	/nfs/dbraw/zinc/91/79/17/858917917.db2.gz	ZQOSVWSSEAICFZ-ROUUACIJSA-N	1	0	369.513	1.492	20	30		FDEDRO
C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	ZINC000668992029	860041199	/nfs/dbraw/zinc/04/11/99/860041199.db2.gz	KKNQMMLLGADUHU-DLBZAZTESA-N	1	0	364.534	1.380	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCCNC(=O)NCCNc2ccc(C#N)cn2)C[C@H](C)O1	ZINC000916249986	881500782	/nfs/dbraw/zinc/50/07/82/881500782.db2.gz	QUDGMZFWOLOLSP-GASCZTMLSA-N	1	0	360.462	1.164	20	30		FDEDRO
CC(=O)N[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2C#N)[C@H](C)C1	ZINC001105794278	863222821	/nfs/dbraw/zinc/22/28/21/863222821.db2.gz	YIBIWKCCBGPTQO-PBFPGSCMSA-N	1	0	360.433	1.406	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CSC)C[C@H]1C	ZINC001105799704	863243983	/nfs/dbraw/zinc/24/39/83/863243983.db2.gz	SDBQXSIOJOEHEG-OWCLPIDISA-N	1	0	355.548	1.847	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2C=CCC2)C[C@H]1C	ZINC001105803525	863266124	/nfs/dbraw/zinc/26/61/24/863266124.db2.gz	MLOITRMKWFUZAH-BZUAXINKSA-N	1	0	362.474	1.039	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)NC(N)=O)C[C@H]1C(F)(F)F	ZINC001112101182	863276905	/nfs/dbraw/zinc/27/69/05/863276905.db2.gz	BNRAGJIRFJZWDQ-QJPTWQEYSA-N	1	0	350.385	1.378	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H](CC)OC)C1	ZINC001112101412	863288653	/nfs/dbraw/zinc/28/86/53/863288653.db2.gz	LXQHQEUNUWTRFW-MGPQQGTHSA-N	1	0	350.381	1.430	20	30		FDEDRO
CO[C@H](C)c1noc(C[NH2+]C[C@@H]2CN(C(=O)CSCC#N)C[C@H]2C)n1	ZINC001105847908	863492123	/nfs/dbraw/zinc/49/21/23/863492123.db2.gz	JUYHSGRARKPIQO-JHJVBQTASA-N	1	0	367.475	1.218	20	30		FDEDRO
C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH2+]C[C@@H](O)c1ccc(F)cc1	ZINC001105848232	863493838	/nfs/dbraw/zinc/49/38/38/863493838.db2.gz	QPKKLXSLOPLCLH-FRFSOERESA-N	1	0	365.474	1.800	20	30		FDEDRO
N#CCSCC(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@@H](O)c1ccccc1)C2	ZINC001111600105	863507221	/nfs/dbraw/zinc/50/72/21/863507221.db2.gz	MVCAPRLQONXEQY-SCTDSRPQSA-N	1	0	359.495	1.947	20	30		FDEDRO
C[C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001105867401	863554748	/nfs/dbraw/zinc/55/47/48/863554748.db2.gz	HLAWWAPHJRYQEW-TZMCWYRMSA-N	1	0	360.483	1.330	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CSCCC)C[C@H]2C)C1=O	ZINC001105885915	863661190	/nfs/dbraw/zinc/66/11/90/863661190.db2.gz	YRUJRKJHKOQBMN-OAGGEKHMSA-N	1	0	353.532	1.601	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)cc1	ZINC000916487537	881687260	/nfs/dbraw/zinc/68/72/60/881687260.db2.gz	KFALQGAYXKXFLO-IAGOWNOFSA-N	1	0	360.483	1.968	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C(C)C)C2)C[C@H]1C(F)(F)F	ZINC001112110254	863719293	/nfs/dbraw/zinc/71/92/93/863719293.db2.gz	GIVOIHUYYPZKSA-MGPQQGTHSA-N	1	0	359.392	1.246	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C3CC3)[nH]2)[C@H](C)C1	ZINC001105914812	863962713	/nfs/dbraw/zinc/96/27/13/863962713.db2.gz	GCPPTZAGLIBUFT-IJEWVQPXSA-N	1	0	361.490	1.847	20	30		FDEDRO
CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1	ZINC000761059990	863980294	/nfs/dbraw/zinc/98/02/94/863980294.db2.gz	KMZWHWYQGGSXIL-CYBMUJFWSA-N	1	0	362.405	1.513	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)C[C@H](C)OC)C[C@H]2C)c1	ZINC001105920097	864005675	/nfs/dbraw/zinc/00/56/75/864005675.db2.gz	ZHTUHQGIWOEILI-SOLBZPMBSA-N	1	0	371.481	1.716	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)C(C)C)C[C@H]1C	ZINC001105930500	864083437	/nfs/dbraw/zinc/08/34/37/864083437.db2.gz	XXJHNPYGJYXBQT-BZUAXINKSA-N	1	0	366.506	1.365	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC2CCCC2)[C@H](C)C1	ZINC001105937586	864130084	/nfs/dbraw/zinc/13/00/84/864130084.db2.gz	AFTRHHQWJMVJGB-BZUAXINKSA-N	1	0	351.491	1.320	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)c2ccc(F)cc2F)[C@H](C)C1	ZINC001105937876	864130376	/nfs/dbraw/zinc/13/03/76/864130376.db2.gz	JRENOJBSTLMXTR-HBUWYVDXSA-N	1	0	368.424	1.885	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)N(CC)CC(=C)C)[C@H](C)C1	ZINC001105937651	864130383	/nfs/dbraw/zinc/13/03/83/864130383.db2.gz	DNXHXKHPNZDYCL-KZNAEPCWSA-N	1	0	365.518	1.686	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+][C@H]2CCN(c3ccccc3)C2=O)[C@H](C)C1	ZINC001105941593	864150358	/nfs/dbraw/zinc/15/03/58/864150358.db2.gz	DBZAFBOHTYUYEI-LMMKCTJWSA-N	1	0	371.481	1.679	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2cccc(C(=O)NC)c2)[C@H](C)C1	ZINC001105941595	864150575	/nfs/dbraw/zinc/15/05/75/864150575.db2.gz	DCENWADZTNKHNH-CRAIPNDOSA-N	1	0	359.470	1.433	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]C[C@H]2COc3ccccc3O2)[C@H](C)C1	ZINC001105942046	864156928	/nfs/dbraw/zinc/15/69/28/864156928.db2.gz	VZNPBVWUTIPLHU-ZACQAIPSSA-N	1	0	360.454	1.713	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCC(C)(C)C)[C@H](C)C1	ZINC001105942717	864161767	/nfs/dbraw/zinc/16/17/67/864161767.db2.gz	NAYJHDNFJALXLD-HZPDHXFCSA-N	1	0	353.507	1.426	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2ccc(F)cc2)[C@H](C)C1	ZINC001105945812	864187113	/nfs/dbraw/zinc/18/71/13/864187113.db2.gz	FHPXYPZWRKCXBG-SQWLQELKSA-N	1	0	360.433	1.286	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC2CCCCC2)[C@H](C)C1	ZINC001105951776	864212142	/nfs/dbraw/zinc/21/21/42/864212142.db2.gz	LCUUVGAPFBDTGE-JFIYKMOQSA-N	1	0	362.518	1.869	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCOC2)C[C@H]1C	ZINC001105969477	864274788	/nfs/dbraw/zinc/27/47/88/864274788.db2.gz	BDPJIHVYRRIXFA-FGTMMUONSA-N	1	0	365.518	1.522	20	30		FDEDRO
N#Cc1cc(CS(=O)(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)cs1	ZINC000916574720	881764904	/nfs/dbraw/zinc/76/49/04/881764904.db2.gz	BFAJMWPBDLHWBO-YUELXQCFSA-N	1	0	355.485	1.027	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1CN([C@@H](C)C(=O)N2CCCCCC2)C[C@H]1OC	ZINC001212184767	864526653	/nfs/dbraw/zinc/52/66/53/864526653.db2.gz	HCDKCZIBDHNWHG-RCCFBDPRSA-N	1	0	363.502	1.396	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccc(F)cc2)C[C@H]1OC	ZINC001212186967	864861675	/nfs/dbraw/zinc/86/16/75/864861675.db2.gz	DYXXIDSYBKVFMK-IPMKNSEASA-N	1	0	362.445	1.348	20	30		FDEDRO
CC(C)CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C	ZINC001106029387	864878886	/nfs/dbraw/zinc/87/88/86/864878886.db2.gz	OTNCTQXQLDAARY-IJEWVQPXSA-N	1	0	359.474	1.345	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]CCCCC(F)(F)F)[C@H](C)C1	ZINC001106034522	864912429	/nfs/dbraw/zinc/91/24/29/864912429.db2.gz	GJTZWDRCXRPLLT-ZIAGYGMSSA-N	1	0	361.408	1.543	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCC(F)(F)C2)[C@H](C)C1	ZINC001106035591	864916433	/nfs/dbraw/zinc/91/64/33/864916433.db2.gz	UWYOFXIWGRUROQ-QLFBSQMISA-N	1	0	355.429	1.245	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C)c(F)c2)[C@H](C)C1	ZINC001106035264	864916497	/nfs/dbraw/zinc/91/64/97/864916497.db2.gz	PVDBHWSXILXXGM-NVXWUHKLSA-N	1	0	359.445	1.458	20	30		FDEDRO
COc1ccccc1CNC(=[NH2+])NCc1cccnc1N1CCOCC1	ZINC000170911714	865016331	/nfs/dbraw/zinc/01/63/31/865016331.db2.gz	FRSYHWSNTXJMGY-UHFFFAOYSA-N	1	0	355.442	1.531	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCSCC)C1	ZINC001111623898	865048151	/nfs/dbraw/zinc/04/81/51/865048151.db2.gz	LWDQEYZCJATSBO-VKJFTORMSA-N	1	0	353.532	1.791	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCCC2)[C@H](C)C1	ZINC001106058777	865064947	/nfs/dbraw/zinc/06/49/47/865064947.db2.gz	IAUQCMZOGSACLI-GPMSIDNRSA-N	1	0	351.491	1.010	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2nnc(C3CC3)n2C)[C@H](C)C1	ZINC001106059219	865069000	/nfs/dbraw/zinc/06/90/00/865069000.db2.gz	PKBGMALQRFJFLL-MUKKUYKPSA-N	1	0	361.490	1.204	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)(C)CC)[C@H](C)C1	ZINC001106059159	865069291	/nfs/dbraw/zinc/06/92/91/865069291.db2.gz	NXKBLNADICWEMD-CLCXKQKWSA-N	1	0	353.507	1.302	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC(C)CC2)[C@H](C)C1	ZINC001106059206	865069361	/nfs/dbraw/zinc/06/93/61/865069361.db2.gz	PCIDDPQUKZIWDH-HLIPFELVSA-N	1	0	365.518	1.256	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccnc(N(C)C)c2)[C@H](C)C1	ZINC001106059407	865070283	/nfs/dbraw/zinc/07/02/83/865070283.db2.gz	UOGAUJDDLNVVNL-WRWLIDTKSA-N	1	0	360.502	1.659	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH2+]Cc2cnc(OC)nc2C)[C@H](C)C1	ZINC001106059483	865070729	/nfs/dbraw/zinc/07/07/29/865070729.db2.gz	WHPUZLGSLSMKEX-NRXGSXMXSA-N	1	0	362.474	1.305	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](C[NH2+]CCCNC(=O)C(F)(F)F)[C@H](C)C1	ZINC001106064575	865108596	/nfs/dbraw/zinc/10/85/96/865108596.db2.gz	DHLKTGAUZGQSFW-ZIAGYGMSSA-N	1	0	361.408	1.543	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](OC)C2CC2)C[C@H]1C	ZINC001106071726	865208479	/nfs/dbraw/zinc/20/84/79/865208479.db2.gz	OGLUGJDELOYIFQ-SZVBFZGTSA-N	1	0	365.518	1.520	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)Cc2c[nH]cn2)CC[N@@H+]1Cc1ccc(OCC#N)cc1	ZINC001088885237	865234641	/nfs/dbraw/zinc/23/46/41/865234641.db2.gz	LPKFFAIACNMZPB-KDOFPFPSSA-N	1	0	353.426	1.634	20	30		FDEDRO
C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+](CCc3ccnn3C)[C@@H]2C)cc1	ZINC001088906006	865366200	/nfs/dbraw/zinc/36/62/00/865366200.db2.gz	AYKJAGNRWJDKES-UZLBHIALSA-N	1	0	366.465	1.867	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@@H]1O	ZINC001083848628	881865943	/nfs/dbraw/zinc/86/59/43/881865943.db2.gz	OTMJBEXFZVOKQZ-YRPNKDGESA-N	1	0	374.481	1.212	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1	ZINC000947340038	865458241	/nfs/dbraw/zinc/45/82/41/865458241.db2.gz	RINKRCQCZFPHIZ-KURKYZTESA-N	1	0	363.502	1.559	20	30		FDEDRO
C[NH+](C)C[C@@H]1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C1	ZINC000172506393	865653429	/nfs/dbraw/zinc/65/34/29/865653429.db2.gz	SLASKOYOHIMCER-HNNXBMFYSA-N	1	0	355.442	1.163	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2oc(CCC)nc2C)C[C@H]1C	ZINC001106881043	881906380	/nfs/dbraw/zinc/90/63/80/881906380.db2.gz	SMGOQEXTGYEHKH-UKRRQHHQSA-N	1	0	362.474	1.535	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3n[nH]nc3C2)CC[N@@H+]1Cc1cccc(C#N)c1	ZINC001088978260	865860177	/nfs/dbraw/zinc/86/01/77/865860177.db2.gz	HXGCTIWKJZFBIM-XYPHTWIQSA-N	1	0	364.453	1.560	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)CCCC)C[C@H]1C	ZINC001106081312	865972750	/nfs/dbraw/zinc/97/27/50/865972750.db2.gz	MPIBANQMJAEJTD-ARFHVFGLSA-N	1	0	366.506	1.509	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(=O)ccoc3c2)C[C@H]1C	ZINC001106886286	881933214	/nfs/dbraw/zinc/93/32/14/881933214.db2.gz	UYCHMHHILXXFIB-NVXWUHKLSA-N	1	0	368.433	1.741	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3snnc3C)[C@@H]2C)CC1	ZINC001089059768	866387868	/nfs/dbraw/zinc/38/78/68/866387868.db2.gz	ZZVACHRDZQPPGC-ZBFHGGJFSA-N	1	0	361.515	1.271	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccc(C)cc2)[C@@H](O)C1	ZINC001083849941	881979696	/nfs/dbraw/zinc/97/96/96/881979696.db2.gz	BZHCMOODKKKCPZ-ZRNYENFQSA-N	1	0	356.466	1.647	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C[NH2+]CC#Cc1ccc(Cl)cc1	ZINC001106084428	866486871	/nfs/dbraw/zinc/48/68/71/866486871.db2.gz	MPWBSJDAPAKPBW-GDBMZVCRSA-N	1	0	371.872	1.818	20	30		FDEDRO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC001089076683	866550802	/nfs/dbraw/zinc/55/08/02/866550802.db2.gz	QGJWGCGIJUSXLI-COXVUDFISA-N	1	0	355.442	1.180	20	30		FDEDRO
C=CCn1c(COC)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1	ZINC000669804144	867482453	/nfs/dbraw/zinc/48/24/53/867482453.db2.gz	WQXUVNVTELBRAC-UHFFFAOYSA-N	1	0	363.506	1.939	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)c2ccc3c[nH+]cn3c2C)C1	ZINC000992073756	867688443	/nfs/dbraw/zinc/68/84/43/867688443.db2.gz	CQKQHURGVGARCU-MSOLQXFVSA-N	1	0	368.437	1.565	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-n3cnnc3)cc2)c1C#N	ZINC000535503290	867732639	/nfs/dbraw/zinc/73/26/39/867732639.db2.gz	FWQFOCUXSZYHTE-UHFFFAOYSA-N	1	0	350.386	1.266	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@H]2C)c1	ZINC001106092204	867957800	/nfs/dbraw/zinc/95/78/00/867957800.db2.gz	YXVPZEVGRXLWPI-GDBMZVCRSA-N	1	0	365.437	1.327	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)/C=C(/C)CC)C[C@H]1C	ZINC001106094360	867982154	/nfs/dbraw/zinc/98/21/54/867982154.db2.gz	UDBDZQKVKIMOSC-CDWBCPPQSA-N	1	0	350.463	1.039	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NCC2CC(NC(=O)c3cc(C#N)c[nH]3)C2)CC[N@@H+]1C	ZINC000992157914	868070327	/nfs/dbraw/zinc/07/03/27/868070327.db2.gz	UZUABIYDSWESCN-IBGATYGBSA-N	1	0	357.458	1.241	20	30		FDEDRO
NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@]12CCC[C@H]1[N@H+](CC#Cc1ccc(F)cc1)CC2	ZINC000992177276	868172392	/nfs/dbraw/zinc/17/23/92/868172392.db2.gz	JNSODNBXZLUUOH-BMQTXXJKSA-N	1	0	369.440	1.412	20	30		FDEDRO
CC[C@@H]1CCCCN1C(=O)C[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C	ZINC001106106280	868183899	/nfs/dbraw/zinc/18/38/99/868183899.db2.gz	QGRAJMFPYBADQS-BHIYHBOVSA-N	1	0	359.514	1.875	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@]3(NC(=O)[C@H]4C[C@H]4C(N)=O)CCC[C@H]23)cc1	ZINC000992203557	868322701	/nfs/dbraw/zinc/32/27/01/868322701.db2.gz	ARBRNLNMTLPFRR-NHAYFPRASA-N	1	0	352.438	1.293	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1	ZINC000992231146	868497945	/nfs/dbraw/zinc/49/79/45/868497945.db2.gz	YJIOSRVQYGTFKL-OWDOZIACSA-N	1	0	368.437	1.550	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1[N@H+](CCN1CCCC1=O)CC2	ZINC000992242728	868561616	/nfs/dbraw/zinc/56/16/16/868561616.db2.gz	SHJBOXFPGFYONN-YZLZLFLDSA-N	1	0	361.486	1.313	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cn(C(C)C)nc2C)[C@H](C)C1	ZINC001106116825	868581684	/nfs/dbraw/zinc/58/16/84/868581684.db2.gz	PAYGIVITHHBQIT-BPQIPLTHSA-N	1	0	360.502	1.995	20	30		FDEDRO
C=CCCOCCCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC)[C@H](C)C1	ZINC001106123698	868897611	/nfs/dbraw/zinc/89/76/11/868897611.db2.gz	YGLLFGRXCUOHPX-IAGOWNOFSA-N	1	0	353.507	1.570	20	30		FDEDRO
C[C@H](CC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1)NC(N)=O	ZINC001106126915	868999965	/nfs/dbraw/zinc/99/99/65/868999965.db2.gz	XHUJIASWHFVAIK-JFIYKMOQSA-N	1	0	356.470	1.169	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C	ZINC000994340647	882252820	/nfs/dbraw/zinc/25/28/20/882252820.db2.gz	ZVQSQQZUJRDUHG-GDBMZVCRSA-N	1	0	354.454	1.385	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1	ZINC000271852726	869340946	/nfs/dbraw/zinc/34/09/46/869340946.db2.gz	MNVSGTLLOBEPDW-AWEZNQCLSA-N	1	0	374.489	1.542	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+]([C@H](CC)C(N)=O)C[C@H]2CC1	ZINC000946815507	882325622	/nfs/dbraw/zinc/32/56/22/882325622.db2.gz	BTHHXJFYSBRJNN-RZFLPCETSA-N	1	0	363.502	1.402	20	30		FDEDRO
C#CCN(C(=O)NC[C@H](C(C)C)N1CCOCC1)C1CC[NH+](C)CC1	ZINC000913992915	870260994	/nfs/dbraw/zinc/26/09/94/870260994.db2.gz	LOZBIUYVZFHQPO-GOSISDBHSA-N	1	0	350.507	1.082	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000914016755	870360342	/nfs/dbraw/zinc/36/03/42/870360342.db2.gz	GLKIKERFEDPPKS-DLBZAZTESA-N	1	0	363.483	1.458	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)c3occc3C)C[C@]2(C)C1	ZINC000992600582	870648566	/nfs/dbraw/zinc/64/85/66/870648566.db2.gz	ICLLWOOFQATOBZ-WWMYMODYSA-N	1	0	369.465	1.606	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]2C)cn1	ZINC000994385469	882465003	/nfs/dbraw/zinc/46/50/03/882465003.db2.gz	VSADXTOPFQGLSR-SZVBFZGTSA-N	1	0	368.481	1.372	20	30		FDEDRO
CC(C)(C#N)CS(=O)(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1	ZINC000914152624	871115697	/nfs/dbraw/zinc/11/56/97/871115697.db2.gz	GXXOLKWFQKIQDJ-UHFFFAOYSA-N	1	0	365.499	1.612	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2cnn(Cc3ccccc3)c2)CC1	ZINC000914162601	871196174	/nfs/dbraw/zinc/19/61/74/871196174.db2.gz	IODBASXCPDBYTO-UHFFFAOYSA-N	1	0	351.454	1.828	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2F)C[C@H]1C	ZINC001106161130	871505061	/nfs/dbraw/zinc/50/50/61/871505061.db2.gz	QMWAMQFQNZOEEP-BRWVUGGUSA-N	1	0	362.445	1.927	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2scc(C)c2Cl)C[C@H]1C	ZINC001106170505	871562060	/nfs/dbraw/zinc/56/20/60/871562060.db2.gz	WTYXJTWXKNTZBP-DGCLKSJQSA-N	1	0	367.902	1.757	20	30		FDEDRO
C=CCC(CC=C)C(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CCC2=O)[C@H](C)C1	ZINC001106174117	871605210	/nfs/dbraw/zinc/60/52/10/871605210.db2.gz	WUGMXYWJGBPXMD-NVXWUHKLSA-N	1	0	361.486	1.588	20	30		FDEDRO
C=CCN1CC[C@H]([NH+]2CCC(OCCN3C[C@@H](C)O[C@@H](C)C3)CC2)C1=O	ZINC000499599024	871649386	/nfs/dbraw/zinc/64/93/86/871649386.db2.gz	FORFNVGOPJTEMV-SCTDSRPQSA-N	1	0	365.518	1.364	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1	ZINC000914190407	871777820	/nfs/dbraw/zinc/77/78/20/871777820.db2.gz	QRKLVURSLSDWGH-KRWDZBQOSA-N	1	0	354.498	1.830	20	30		FDEDRO
CC(C)[C@H]([NH2+]Cc1csc(C#N)c1)C(=O)N(C)Cc1nnc2n1CCC2	ZINC000922076427	871879629	/nfs/dbraw/zinc/87/96/29/871879629.db2.gz	KLWDXEKXKVNQQK-KRWDZBQOSA-N	1	0	372.498	1.930	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[NH+]4CCC2CC4)C3)c1	ZINC001002951039	871952282	/nfs/dbraw/zinc/95/22/82/871952282.db2.gz	JSYDABIEMJBQFX-KONPQCLYSA-N	1	0	367.453	1.090	20	30		FDEDRO
C#CCN(C(=O)NCc1ccccc1OCCOC)C1CC[NH+](C)CC1	ZINC000914312664	872309444	/nfs/dbraw/zinc/30/94/44/872309444.db2.gz	GASLSUUGTRGIDW-UHFFFAOYSA-N	1	0	359.470	1.951	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](CC)[NH+](C)C)nn1	ZINC001003048473	872409988	/nfs/dbraw/zinc/40/99/88/872409988.db2.gz	GTYROHRBXIWTHQ-JHNDHUHGSA-N	1	0	374.489	1.056	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1	ZINC001033489973	882619005	/nfs/dbraw/zinc/61/90/05/882619005.db2.gz	LRWXHLMXCDGXLO-JENIJYKNSA-N	1	0	354.454	1.157	20	30		FDEDRO
C[NH+](C)CCCCCCCNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1	ZINC000914401801	872718312	/nfs/dbraw/zinc/71/83/12/872718312.db2.gz	XUAMZSAJCCQDNL-NVXWUHKLSA-N	1	0	370.519	1.078	20	30		FDEDRO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1nc(Cl)c(C#N)s1	ZINC000888424605	872843380	/nfs/dbraw/zinc/84/33/80/872843380.db2.gz	YURYDRZJOBWZOR-QMMMGPOBSA-N	1	0	356.839	1.252	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1	ZINC001106181928	873022963	/nfs/dbraw/zinc/02/29/63/873022963.db2.gz	AYOPNFWIUWAZPE-NVXWUHKLSA-N	1	0	355.417	1.153	20	30		FDEDRO
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1nc(Cl)c(C#N)s1	ZINC000888426191	873102522	/nfs/dbraw/zinc/10/25/22/873102522.db2.gz	NTFLTPSXWKDYRI-UHFFFAOYSA-N	1	0	358.855	1.152	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)/C=C(/C)C2CC2)CC1	ZINC001003362806	873215477	/nfs/dbraw/zinc/21/54/77/873215477.db2.gz	FSYPHLJDXGBNPG-NSJGRMRMSA-N	1	0	369.509	1.936	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccn(C3CCCC3)n2)C[C@H]1C	ZINC001106191390	873250276	/nfs/dbraw/zinc/25/02/76/873250276.db2.gz	BBPOEJOSSDFFPU-IAGOWNOFSA-N	1	0	358.486	1.946	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@]3(C)C2)CC[N@@H+]1C	ZINC000992991101	873542506	/nfs/dbraw/zinc/54/25/06/873542506.db2.gz	NIUVDXATKWVPCI-LLKNDRQVSA-N	1	0	369.469	1.147	20	30		FDEDRO
CC[N@H+](CCNC(=O)N1C[C@@H](C)N(CC#N)[C@@H](C)C1)CCC(F)(F)F	ZINC000922186821	873572171	/nfs/dbraw/zinc/57/21/71/873572171.db2.gz	BNUAMHJBAMRCPF-OKILXGFUSA-N	1	0	363.428	1.888	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CCCN2C(=O)CCC2=O)C[C@H]1C	ZINC001106207494	873718309	/nfs/dbraw/zinc/71/83/09/873718309.db2.gz	DWIRLECHHCTTEI-TZMCWYRMSA-N	1	0	355.866	1.352	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)CC4CC4)C[C@@]3(C)C2)CC1	ZINC000993021221	873723358	/nfs/dbraw/zinc/72/33/58/873723358.db2.gz	SYNNNOXSNYCWLN-NQIIRXRSSA-N	1	0	357.498	1.439	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CN(C(=O)C#CC4CC4)C[C@@]3(C)C2)C1	ZINC000993029031	873761681	/nfs/dbraw/zinc/76/16/81/873761681.db2.gz	QECQDQPMOBGOCH-JQVVWYNYSA-N	1	0	371.525	1.685	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cccc3c2OCCO3)C[C@H]1C	ZINC001106211054	873797776	/nfs/dbraw/zinc/79/77/76/873797776.db2.gz	OTEGRKZNXJKONR-HZPDHXFCSA-N	1	0	360.454	1.958	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(c3ccc(F)cc3)CC2)C[C@H]1C	ZINC001106213428	873829759	/nfs/dbraw/zinc/82/97/59/873829759.db2.gz	RCJZUTUXIBFOIL-HZPDHXFCSA-N	1	0	371.456	1.291	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cc3n(n2)CCC3)C1	ZINC001112349132	873949155	/nfs/dbraw/zinc/94/91/55/873949155.db2.gz	RUPOXMSJZIACDB-WWMYMODYSA-N	1	0	370.497	1.586	20	30		FDEDRO
N#Cc1cccc([C@@H]2CN(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CCO2)c1	ZINC000761683520	873985364	/nfs/dbraw/zinc/98/53/64/873985364.db2.gz	VPJWHHGMGFYXNZ-QRVBRYPASA-N	1	0	370.453	1.504	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2ccc(C(F)F)n2)C[C@H]1C	ZINC001106227113	873988557	/nfs/dbraw/zinc/98/85/57/873988557.db2.gz	MKDYKEVGHMYUEG-ZIAGYGMSSA-N	1	0	354.401	1.155	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3c(o2)CCCC3)C[C@H]1C	ZINC001106233074	874041792	/nfs/dbraw/zinc/04/17/92/874041792.db2.gz	UWTCSXHUEIDEES-GDBMZVCRSA-N	1	0	357.454	1.206	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+][C@H]3CCN(C(C)C)C3=O)[C@H](C)C2)CCC1	ZINC001106236150	874062130	/nfs/dbraw/zinc/06/21/30/874062130.db2.gz	BSZMGXFSMRCMPR-KURKYZTESA-N	1	0	359.514	1.873	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3nc(COC)no3)[C@H](C)C2)CCC1	ZINC001106236181	874062236	/nfs/dbraw/zinc/06/22/36/874062236.db2.gz	DHOMCZZTRQFQMA-HUUCEWRRSA-N	1	0	360.458	1.594	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C)C1	ZINC000993067271	874096228	/nfs/dbraw/zinc/09/62/28/874096228.db2.gz	KBGBNPFSQBIWTQ-OPYAIIAOSA-N	1	0	357.498	1.581	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ccnc1)C2	ZINC001003745275	874151362	/nfs/dbraw/zinc/15/13/62/874151362.db2.gz	KIYBMSFJMAGNNK-QRVBRYPASA-N	1	0	362.433	1.355	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NCCC)[C@H](C)C1	ZINC001106256093	874174095	/nfs/dbraw/zinc/17/40/95/874174095.db2.gz	XTHFZCCTPWMHLT-BRWVUGGUSA-N	1	0	360.502	1.887	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cncn3)cc2)C[C@H]1C	ZINC001106279002	874367612	/nfs/dbraw/zinc/36/76/12/874367612.db2.gz	TYUQYRJMORFQNJ-SJLPKXTDSA-N	1	0	367.453	1.215	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@]2(CC(C)C)CCNC2=O)C[C@H]1C	ZINC001106278993	874368253	/nfs/dbraw/zinc/36/82/53/874368253.db2.gz	SOAQRTFYSRBHGI-MBOZVWFJSA-N	1	0	365.518	1.426	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@]2(C)C1	ZINC000993099372	874382865	/nfs/dbraw/zinc/38/28/65/874382865.db2.gz	XSZSRVKVPKCTOG-MDYRTPRTSA-N	1	0	369.469	1.291	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106293748	874559892	/nfs/dbraw/zinc/55/98/92/874559892.db2.gz	GYLVWWUJOYRGIS-BHIYHBOVSA-N	1	0	353.466	1.391	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC2(F)F)C[C@H]1C	ZINC001106299520	874606860	/nfs/dbraw/zinc/60/68/60/874606860.db2.gz	KXIYZYZUWYAWEP-KFWWJZLASA-N	1	0	370.444	1.478	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccsn2)C[C@H]1C	ZINC001106300840	874624413	/nfs/dbraw/zinc/62/44/13/874624413.db2.gz	FVZJKIOXCJWTGS-HUUCEWRRSA-N	1	0	362.499	1.641	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1	ZINC001106330871	874802692	/nfs/dbraw/zinc/80/26/92/874802692.db2.gz	FGPIHOCEEZWYLH-HZPDHXFCSA-N	1	0	359.470	1.637	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccncc2CC)C[C@H]1C	ZINC001106350763	874870878	/nfs/dbraw/zinc/87/08/78/874870878.db2.gz	RVWAGIKQZUEKEK-BFYDXBDKSA-N	1	0	358.486	1.632	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cn2nnc(-c3ccco3)n2)C[C@H]1C	ZINC001106357757	874897348	/nfs/dbraw/zinc/89/73/48/874897348.db2.gz	MWZWNWKYYSFXBF-HUUCEWRRSA-N	1	0	358.446	1.583	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CSCC#N)[C@@H](n2ccnn2)C1	ZINC001128723919	882877048	/nfs/dbraw/zinc/87/70/48/882877048.db2.gz	LTKHLBMPAVGEBD-CVEARBPZSA-N	1	0	362.503	1.623	20	30		FDEDRO
C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1C	ZINC001106368329	874952002	/nfs/dbraw/zinc/95/20/02/874952002.db2.gz	SBMCNFXOQYHBJW-IAGOWNOFSA-N	1	0	350.507	1.832	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2c(C)nn(C)c2Cl)C[C@H]1C	ZINC001106376691	874973649	/nfs/dbraw/zinc/97/36/49/874973649.db2.gz	JRYJVMWZYJNWBJ-UKRRQHHQSA-N	1	0	368.909	1.811	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)sc2C)C[C@H]1C	ZINC001106387343	875030543	/nfs/dbraw/zinc/03/05/43/875030543.db2.gz	KSKJUSBSBQNXKZ-XNRPHZJLSA-N	1	0	361.511	1.801	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(Cl)cn2C)C[C@H]1C	ZINC001106402811	875127372	/nfs/dbraw/zinc/12/73/72/875127372.db2.gz	GHEQQJXXVVTLTJ-HZSPNIEDSA-N	1	0	366.893	1.667	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C3(COC)CCC3)C[C@H]2C)C1=O	ZINC001106444314	875325224	/nfs/dbraw/zinc/32/52/24/875325224.db2.gz	WIRMCNHRCVGQSR-BRWVUGGUSA-N	1	0	363.502	1.274	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC(C)(C)CC(F)F)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106451847	875367058	/nfs/dbraw/zinc/36/70/58/875367058.db2.gz	GZZVKPKNDHWYDY-CHWSQXEVSA-N	1	0	358.433	1.382	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNC(=O)C#Cc2ccc3c(c2)OCO3)CC1	ZINC000762207769	875448198	/nfs/dbraw/zinc/44/81/98/875448198.db2.gz	UXWMQGTWQKUHGJ-UHFFFAOYSA-N	1	0	358.438	1.772	20	30		FDEDRO
COC[C@]1(C(=O)N2C[C@@H](C[NH2+]Cc3cccc(C#N)c3)[C@H](C)C2)CCOC1	ZINC001106486628	875644056	/nfs/dbraw/zinc/64/40/56/875644056.db2.gz	BFQMDQCIENLATO-OZOXKJRCSA-N	1	0	371.481	1.795	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNS(=O)(=O)c2cccc(F)c2C#N)CCCO1	ZINC000762323695	875752931	/nfs/dbraw/zinc/75/29/31/875752931.db2.gz	ZXQMEFSYYJZOTP-ZDUSSCGKSA-N	1	0	355.435	1.477	20	30		FDEDRO
C[C@@H](CC(N)=O)C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccc(F)cc2)[C@H](C)C1	ZINC001106522053	875825570	/nfs/dbraw/zinc/82/55/70/875825570.db2.gz	BNJDLFXBCONQFJ-ZMSDIMECSA-N	1	0	359.445	1.373	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C	ZINC001106519312	875833518	/nfs/dbraw/zinc/83/35/18/875833518.db2.gz	ZDBQSXDWHIGUEM-IAGOWNOFSA-N	1	0	352.523	1.073	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cnc3ccsc3c2)C[C@H]1C	ZINC001106521570	875840822	/nfs/dbraw/zinc/84/08/22/875840822.db2.gz	RYIPDGLDFWVDKC-UKRRQHHQSA-N	1	0	370.478	1.343	20	30		FDEDRO
C#Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C)C[C@H]2C)c1	ZINC001106532444	875868158	/nfs/dbraw/zinc/86/81/58/875868158.db2.gz	VJCBJNDXRPYBHW-FXRXJOCMSA-N	1	0	353.466	1.947	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H](C[NH2+]C[C@H](C)CS(C)(=O)=O)[C@H](C)C1	ZINC001106533779	875886738	/nfs/dbraw/zinc/88/67/38/875886738.db2.gz	KIYFYJIXSWTIQB-RCCFBDPRSA-N	1	0	370.559	1.935	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)[C@@H](C)CO3)C[C@H]1C	ZINC001106567084	875975100	/nfs/dbraw/zinc/97/51/00/875975100.db2.gz	UEPOHXSMUAVQIU-HLLBOEOZSA-N	1	0	369.465	1.230	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCc3cccnc32)C[C@H]1C	ZINC001106571415	875985417	/nfs/dbraw/zinc/98/54/17/875985417.db2.gz	ZMZRNXFPJJIQCI-KBAYOESNSA-N	1	0	370.497	1.488	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NCc2ccccc2OCC[NH+](C)C)CC1	ZINC000915361460	876132992	/nfs/dbraw/zinc/13/29/92/876132992.db2.gz	QJPKKANJBQVZQG-UHFFFAOYSA-N	1	0	358.486	1.524	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](OC)C(C)C)C[C@H]1C	ZINC001106628083	876270895	/nfs/dbraw/zinc/27/08/95/876270895.db2.gz	FOKLBMFYRBIMEO-LMMKCTJWSA-N	1	0	365.518	1.542	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCOCC2)[C@H](C)C1	ZINC001106629260	876277553	/nfs/dbraw/zinc/27/75/53/876277553.db2.gz	HVNOUQXSHOZALG-QINHECLXSA-N	1	0	365.518	1.568	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H](C[NH2+]CCN3C(=O)CCC3=O)[C@H](C)C2)CC1	ZINC001106629675	876278674	/nfs/dbraw/zinc/27/86/74/876278674.db2.gz	SGPZJNSCIHLBTD-HZPDHXFCSA-N	1	0	361.486	1.566	20	30		FDEDRO
C=CCCC1(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NC)[C@H](C)C2)CC1	ZINC001106629701	876278896	/nfs/dbraw/zinc/27/88/96/876278896.db2.gz	UDRUREICZXZSCE-QLFBSQMISA-N	1	0	364.490	1.261	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]CC(=O)NC[C@H]3CCCO3)[C@H](C)C2)C1	ZINC001106647771	876383362	/nfs/dbraw/zinc/38/33/62/876383362.db2.gz	VNSWLJSRAUNDIR-BRWVUGGUSA-N	1	0	363.502	1.322	20	30		FDEDRO
CC(C)(C(=O)N1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C)C1)[NH+]1CCCC1	ZINC000993219904	876429582	/nfs/dbraw/zinc/42/95/82/876429582.db2.gz	YITJTYMTMYIMRH-UTKZUKDTSA-N	1	0	357.498	1.581	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ocnc2C2CC2)C[C@H]1C	ZINC001106662843	876437587	/nfs/dbraw/zinc/43/75/87/876437587.db2.gz	GDYVDSDELBODHD-VNHYZAJKSA-N	1	0	360.458	1.540	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccn(C)c2CC)C[C@H]1C	ZINC001106665804	876475460	/nfs/dbraw/zinc/47/54/60/876475460.db2.gz	BVINUPJLHZSDAX-BZUAXINKSA-N	1	0	360.502	1.576	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C[NH2+]CC#Cc1ccccc1Cl	ZINC001106667915	876496332	/nfs/dbraw/zinc/49/63/32/876496332.db2.gz	BXKSGWJONUUYGA-DZUCGIPZSA-N	1	0	373.884	1.497	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)Cn2ccc(C)n2)C[C@H]1C	ZINC001106678128	876528185	/nfs/dbraw/zinc/52/81/85/876528185.db2.gz	ZRKWOKXQTBVTQC-BXUZGUMPSA-N	1	0	355.280	1.784	20	30		FDEDRO
CC(C)C[C@H](NS(=O)(=O)CC(C)(C)C#N)C(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000917118063	883040573	/nfs/dbraw/zinc/04/05/73/883040573.db2.gz	ZUYDIYRGSULBBH-GJZGRUSLSA-N	1	0	372.535	1.033	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc3cc[nH]c32)C[C@H]1C	ZINC001106687377	876564685	/nfs/dbraw/zinc/56/46/85/876564685.db2.gz	RFZDEZHWKQZJSE-BFYDXBDKSA-N	1	0	366.465	1.604	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH]ccc32)C[C@H]1C	ZINC001106691003	876586461	/nfs/dbraw/zinc/58/64/61/876586461.db2.gz	WDTJEMNKZNAYMW-OWCLPIDISA-N	1	0	366.465	1.604	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106699661	876608395	/nfs/dbraw/zinc/60/83/95/876608395.db2.gz	WIDOTBROIQYCHI-RXYDEIHYSA-N	1	0	360.502	1.527	20	30		FDEDRO
CCOC(=O)Nc1ccc(NC(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1C#N	ZINC000762871772	876881779	/nfs/dbraw/zinc/88/17/79/876881779.db2.gz	KWZMRAMZJOWVSU-QGZVFWFLSA-N	1	0	361.402	1.315	20	30		FDEDRO
C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000670219928	877159261	/nfs/dbraw/zinc/15/92/61/877159261.db2.gz	OKCRUBFOKXQPHU-KRWDZBQOSA-N	1	0	371.489	1.556	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@]2(C)CC[C@H](C)C2(C)C)C[C@H]1C	ZINC001106730885	877242714	/nfs/dbraw/zinc/24/27/14/877242714.db2.gz	VHVGFBUQSJBVBI-WOYCLPQFSA-N	1	0	361.530	1.882	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]Cc2ccnn2C)[C@H](C)C1	ZINC001106733485	877271241	/nfs/dbraw/zinc/27/12/41/877271241.db2.gz	WYMPUMITPWSDSS-KYJSFNMBSA-N	1	0	361.490	1.075	20	30		FDEDRO
CCCCCCC[NH2+]C[C@@H]1CN(C(=O)C[C@H](NC(C)=O)C(N)=O)C[C@H]1C	ZINC001106736729	877321144	/nfs/dbraw/zinc/32/11/44/877321144.db2.gz	RYTWFVMGGBUWTH-OIISXLGYSA-N	1	0	368.522	1.021	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2C[C@@H](C[NH2+]C[C@@H](O)COC)[C@H](C)C2)cc1	ZINC001106740300	877405936	/nfs/dbraw/zinc/40/59/36/877405936.db2.gz	IZLVCWHHZNNIOL-KBAYOESNSA-N	1	0	360.454	1.004	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001106742662	877424025	/nfs/dbraw/zinc/42/40/25/877424025.db2.gz	LSMMJFKHMUODOG-CZUORRHYSA-N	1	0	360.433	1.360	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@]2(C)C1	ZINC000993345040	877435855	/nfs/dbraw/zinc/43/58/55/877435855.db2.gz	GKJOVWOLPLTURZ-UQASEVPWSA-N	1	0	368.481	1.828	20	30		FDEDRO
C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)C[C@H]1C	ZINC001106744801	877449356	/nfs/dbraw/zinc/44/93/56/877449356.db2.gz	BVVRTNLPBLYBFO-OAGGEKHMSA-N	1	0	359.536	1.211	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@H]1C[NH2+]CC#Cc1ccccc1	ZINC001106754806	877550169	/nfs/dbraw/zinc/55/01/69/877550169.db2.gz	HXHUHPYRFQJLPP-QRQLOZEOSA-N	1	0	353.466	1.391	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCc3ccccc32)C[C@H]1C[NH2+]CC(=O)NCC#N	ZINC001106780476	877803376	/nfs/dbraw/zinc/80/33/76/877803376.db2.gz	DOYDHHDPOBYAKP-BPQIPLTHSA-N	1	0	368.481	1.430	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccco2)C[C@H]1C	ZINC001106788900	877940528	/nfs/dbraw/zinc/94/05/28/877940528.db2.gz	QMBRXANQKSSCFU-IAGOWNOFSA-N	1	0	359.470	1.707	20	30		FDEDRO
C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3ccc(N(C)C)cc3)[C@H]2C1	ZINC001083150931	912293881	/nfs/dbraw/zinc/29/38/81/912293881.db2.gz	ZDRYOOXSNYITMH-JSXRDJHFSA-N	1	0	367.493	1.791	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cn2c(C)cc(C)nc2=O)C[C@H]1C	ZINC001106804545	878066312	/nfs/dbraw/zinc/06/63/12/878066312.db2.gz	YZOFSYOOPHMMKB-IIDMSEBBSA-N	1	0	360.502	1.899	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H](c2nccn2CC)C2CCOCC2)CC1	ZINC000922406070	878104636	/nfs/dbraw/zinc/10/46/36/878104636.db2.gz	MPLVCBRIUVFAEJ-GOSISDBHSA-N	1	0	373.501	1.768	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(-n3cncn3)n2)C[C@H]1C	ZINC001106814822	878227183	/nfs/dbraw/zinc/22/71/83/878227183.db2.gz	IMRAUCWRASGNCS-HZPDHXFCSA-N	1	0	354.458	1.926	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)COC)C[C@H]1C	ZINC001106818913	878270234	/nfs/dbraw/zinc/27/02/34/878270234.db2.gz	FCKPHCPYEGOVLB-KZNAEPCWSA-N	1	0	367.534	1.768	20	30		FDEDRO
C#CCN(C(=O)N[C@@H]1CC(=O)N(c2ccccc2F)C1)C1CC[NH+](C)CC1	ZINC000922561701	878539141	/nfs/dbraw/zinc/53/91/41/878539141.db2.gz	QHXKLLYXNIJLFS-OAHLLOKOSA-N	1	0	372.444	1.670	20	30		FDEDRO
Cc1onc(CC(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c1C#N	ZINC000499926132	878541460	/nfs/dbraw/zinc/54/14/60/878541460.db2.gz	FYYUTJLWQRKFRW-HUUCEWRRSA-N	1	0	359.474	1.414	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cc3c(cn2)OCCO3)[C@H](OC)C1	ZINC001212420035	912399410	/nfs/dbraw/zinc/39/94/10/912399410.db2.gz	SGGGTGHHWYFOAS-DDUZABMNSA-N	1	0	361.442	1.637	20	30		FDEDRO
C[C@@H](C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1O)[NH+]1CCCCCC1	ZINC001083831464	879130679	/nfs/dbraw/zinc/13/06/79/879130679.db2.gz	MXLWDUOLCSSQRO-DBVUQKKJSA-N	1	0	370.497	1.484	20	30		FDEDRO
C#Cc1cccc(CNC(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)c1	ZINC000922782307	879260104	/nfs/dbraw/zinc/26/01/04/879260104.db2.gz	HGIPLXILULPTDF-WERVVEIQSA-N	1	0	355.482	1.947	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)n2cnc3ccccc32)C[C@H]1C	ZINC001106830719	879346228	/nfs/dbraw/zinc/34/62/28/879346228.db2.gz	WJZXBTVGXZNMEC-FGTMMUONSA-N	1	0	368.481	1.931	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)c2ccc3c[nH+]cn3c2)C1	ZINC001004534743	879809083	/nfs/dbraw/zinc/80/90/83/879809083.db2.gz	XEGUHCKNVYMLRH-SJORKVTESA-N	1	0	354.410	1.114	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1	ZINC001004534961	879809814	/nfs/dbraw/zinc/80/98/14/879809814.db2.gz	CRLIFBQDWNBISS-KURKYZTESA-N	1	0	363.502	1.415	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4[nH]c(=O)[nH]c4n3)[C@H]2C1	ZINC001083174875	912501053	/nfs/dbraw/zinc/50/10/53/912501053.db2.gz	BYCSPBSBLZIADU-LSDHHAIUSA-N	1	0	357.414	1.155	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC001004539971	879860336	/nfs/dbraw/zinc/86/03/36/879860336.db2.gz	ABMDJDMAPBFNSM-OKZBNKHCSA-N	1	0	363.502	1.511	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C)C1	ZINC000993843341	879876077	/nfs/dbraw/zinc/87/60/77/879876077.db2.gz	QFCXAYJISUJWMZ-ZACQAIPSSA-N	1	0	358.486	1.593	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)[C@H](C)C1	ZINC000993910137	880117227	/nfs/dbraw/zinc/11/72/27/880117227.db2.gz	YNHZKWQNSJCWQN-RKVPGOIHSA-N	1	0	371.485	1.585	20	30		FDEDRO
C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC000993915280	880136406	/nfs/dbraw/zinc/13/64/06/880136406.db2.gz	WNPGPMODNVYMIT-CZUORRHYSA-N	1	0	357.458	1.052	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC000993918727	880148334	/nfs/dbraw/zinc/14/83/34/880148334.db2.gz	OKVLIYXUABKJOS-VMGRFDJRSA-N	1	0	357.458	1.051	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nocc2C)C[C@H]1C	ZINC001106842037	880640532	/nfs/dbraw/zinc/64/05/32/880640532.db2.gz	VPYVKNULFJSZSX-GDBMZVCRSA-N	1	0	360.458	1.481	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](C)C1	ZINC000994090923	880641596	/nfs/dbraw/zinc/64/15/96/880641596.db2.gz	SSZUVQADWKTFBE-BRSBDYLESA-N	1	0	372.513	1.839	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCCn2cncn2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001106842326	880656981	/nfs/dbraw/zinc/65/69/81/880656981.db2.gz	IDIMYWMDTRMSPH-VQIMIIECSA-N	1	0	366.469	1.814	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)[C@@H](C)C3CC3)C[C@H]2C)CC1	ZINC000994134994	880779306	/nfs/dbraw/zinc/77/93/06/880779306.db2.gz	HCIRDNXTZVXVBI-JTDSTZFVSA-N	1	0	359.514	1.588	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)[C@@H]3CC34CC4)C[C@H]2C)CC1	ZINC000994141442	880913293	/nfs/dbraw/zinc/91/32/93/880913293.db2.gz	VNZZDEQSPOCTRY-NXHRZFHOSA-N	1	0	357.498	1.342	20	30		FDEDRO
Cc1c(C(=O)NC[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)ccc2c[nH+]cn21	ZINC000994237161	881205373	/nfs/dbraw/zinc/20/53/73/881205373.db2.gz	MBFANHMYBQCWFU-UMVBOHGHSA-N	1	0	353.426	1.627	20	30		FDEDRO
CCN(C(=O)[C@H]1OCCO[C@H]1C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC001033861330	883284466	/nfs/dbraw/zinc/28/44/66/883284466.db2.gz	GUXBQPJVLVLGGG-IPELMVKDSA-N	1	0	357.454	1.785	20	30		FDEDRO
CCN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1	ZINC001033875767	883317571	/nfs/dbraw/zinc/31/75/71/883317571.db2.gz	ZUXCIGSSTJVUQQ-LSTHTHJFSA-N	1	0	370.497	1.700	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2cccc(C(N)=O)c2)C1	ZINC001033954253	883578650	/nfs/dbraw/zinc/57/86/50/883578650.db2.gz	MTWDOVHVEMSFNZ-QRVBRYPASA-N	1	0	371.481	1.799	20	30		FDEDRO
C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)c(C)c2)C[C@@H]1n1ccnn1	ZINC001128812459	883704166	/nfs/dbraw/zinc/70/41/66/883704166.db2.gz	ZTUOTJUHPXREGG-MOPGFXCFSA-N	1	0	369.469	1.639	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccncc2F)[C@@H](n2ccnn2)C1	ZINC001128855006	883838443	/nfs/dbraw/zinc/83/84/43/883838443.db2.gz	IPJLXTGNHYKRMN-XYPHTWIQSA-N	1	0	358.421	1.822	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCOCC=C)[C@@H](n2ccnn2)C1	ZINC001128869779	883880150	/nfs/dbraw/zinc/88/01/50/883880150.db2.gz	LRJNTUWDLYPESC-KSZLIROESA-N	1	0	361.490	1.957	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2CCCC[N@H+](Cc3ccc(C#N)cc3)C2)C1	ZINC001034213338	883941008	/nfs/dbraw/zinc/94/10/08/883941008.db2.gz	SVIRRBJDXREUNR-AYOQOUSVSA-N	1	0	368.481	1.944	20	30		FDEDRO
CC(C)C[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](n2ccnn2)C1	ZINC001128891778	883969120	/nfs/dbraw/zinc/96/91/20/883969120.db2.gz	PPHOJGMFPFHJTA-OLMNPRSZSA-N	1	0	369.473	1.815	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1n1ccnn1	ZINC001128908333	884052789	/nfs/dbraw/zinc/05/27/89/884052789.db2.gz	RYMJXYAZCGHVMB-KURKYZTESA-N	1	0	359.474	1.382	20	30		FDEDRO
C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC001034272505	884064813	/nfs/dbraw/zinc/06/48/13/884064813.db2.gz	UECYPNRPKJSCJS-MCIONIFRSA-N	1	0	350.381	1.880	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](C[C@@H](OC)C2CCCC2)C[C@@H]1O	ZINC001083999327	912804238	/nfs/dbraw/zinc/80/42/38/912804238.db2.gz	KWRORQIRFMYCSA-QHAWAJNXSA-N	1	0	370.493	1.577	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001061750009	884352785	/nfs/dbraw/zinc/35/27/85/884352785.db2.gz	PICWIMFKSPCMEQ-BZUAXINKSA-N	1	0	351.491	1.273	20	30		FDEDRO
C=CC(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001061755644	884445990	/nfs/dbraw/zinc/44/59/90/884445990.db2.gz	NUWIAMFJBHJVTG-OWCLPIDISA-N	1	0	351.491	1.273	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CC[NH2+][C@H]2CCCN(C)C2=O)CC1	ZINC001034569131	884507963	/nfs/dbraw/zinc/50/79/63/884507963.db2.gz	PLNJHJUVXMRFCE-SQNIBIBYSA-N	1	0	363.502	1.417	20	30		FDEDRO
CC(C)C#CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@@H]1n1ccnn1	ZINC001128976240	884544371	/nfs/dbraw/zinc/54/43/71/884544371.db2.gz	LMNZNNFXIFKZAP-BBWFWOEESA-N	1	0	359.474	1.094	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(C#N)cc3)CC2)C1	ZINC001034647492	884611569	/nfs/dbraw/zinc/61/15/69/884611569.db2.gz	QSSWUNOMNFORGC-UTRMSSBJSA-N	1	0	368.481	1.990	20	30		FDEDRO
C=CCOCC(=O)N1CCC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1	ZINC001078974630	884714022	/nfs/dbraw/zinc/71/40/22/884714022.db2.gz	XNEUDPRIFRDMKD-OKZBNKHCSA-N	1	0	365.518	1.759	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](NC(=O)CC2(O)CCC2)[C@@H](n2ccnn2)C1	ZINC001128989236	884805573	/nfs/dbraw/zinc/80/55/73/884805573.db2.gz	NYOFFVLIASIHFD-SJORKVTESA-N	1	0	361.490	1.671	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)c2ccnn2C)[C@@H](n2ccnn2)C1	ZINC001128993574	884890227	/nfs/dbraw/zinc/89/02/27/884890227.db2.gz	FPIMQJLCIOXSML-UXLLHSPISA-N	1	0	357.462	1.123	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3n[nH]cc32)[C@@H](n2ccnn2)C1	ZINC001128993928	884902274	/nfs/dbraw/zinc/90/22/74/884902274.db2.gz	ZJRQZRSFDGFCGG-OLMNPRSZSA-N	1	0	369.473	1.429	20	30		FDEDRO
Cc1onc(CC(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)c1C#N	ZINC000498532448	885187187	/nfs/dbraw/zinc/18/71/87/885187187.db2.gz	RMJRFSSTTKFKHR-UHFFFAOYSA-N	1	0	367.453	1.461	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1C#N	ZINC001035052936	885557506	/nfs/dbraw/zinc/55/75/06/885557506.db2.gz	QTFWFJHPSDKRLP-KURKYZTESA-N	1	0	354.454	1.363	20	30		FDEDRO
C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC(C)(C)C1	ZINC001089491605	885644871	/nfs/dbraw/zinc/64/48/71/885644871.db2.gz	QMMTXVFDCBEHHP-BBWFWOEESA-N	1	0	365.518	1.805	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCc3ccnn3C)[C@H](C)C2)nc1	ZINC001106894134	885690466	/nfs/dbraw/zinc/69/04/66/885690466.db2.gz	BNTQBTUOEDWXER-NVXWUHKLSA-N	1	0	351.454	1.337	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2CC)[C@@H](n2ccnn2)C1	ZINC001129084185	885707916	/nfs/dbraw/zinc/70/79/16/885707916.db2.gz	DQJNVWXBVXSHNN-XYPHTWIQSA-N	1	0	357.462	1.574	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)NC3CC3)[C@H](C)C2)nc1	ZINC001106894477	885752506	/nfs/dbraw/zinc/75/25/06/885752506.db2.gz	NTVJYBSQNJBLJH-IJEWVQPXSA-N	1	0	354.454	1.028	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC(C)(C)C)[C@H](C)C2)cn1	ZINC001106894633	885762787	/nfs/dbraw/zinc/76/27/87/885762787.db2.gz	PVOKLDDVROLMDV-NVXWUHKLSA-N	1	0	370.497	1.523	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)[C@@H](n2ccnn2)C1	ZINC001129122293	885766979	/nfs/dbraw/zinc/76/69/79/885766979.db2.gz	JABNUCJQULEFDG-QTMHVTGLSA-N	1	0	373.501	1.649	20	30		FDEDRO
N#Cc1cccc(C[N@H+]2CCC3(C2)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC3)c1	ZINC001035228705	885780136	/nfs/dbraw/zinc/78/01/36/885780136.db2.gz	YUGAQHGEGQHALN-MSOLQXFVSA-N	1	0	366.465	1.494	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1	ZINC000994625024	886225665	/nfs/dbraw/zinc/22/56/65/886225665.db2.gz	AYZZAWSBFWMQRS-GPMSIDNRSA-N	1	0	370.497	1.775	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H](C)[C@H]1CN(C)CCO1)C(C)C	ZINC000676249947	886309357	/nfs/dbraw/zinc/30/93/57/886309357.db2.gz	JKSAFQHJXHUOJQ-RCCFBDPRSA-N	1	0	352.523	1.703	20	30		FDEDRO
C=CCn1nnn(CN2CC[NH+](CCc3cccs3)CC2)c1=S	ZINC000919951452	886446260	/nfs/dbraw/zinc/44/62/60/886446260.db2.gz	JBTIAPFWAZSCJS-UHFFFAOYSA-N	1	0	350.517	1.874	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)C2CCC(OC)CC2)[C@@H](n2ccnn2)C1	ZINC001129209527	886567951	/nfs/dbraw/zinc/56/79/51/886567951.db2.gz	INENYLUDFZVSQW-HIEASXQVSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=CCCOCC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001060740861	886669240	/nfs/dbraw/zinc/66/92/40/886669240.db2.gz	YDBQAXVQNMPFQO-BRSBDYLESA-N	1	0	365.518	1.711	20	30		FDEDRO
C=C1CCC(C(=O)N[C@@H]2C[N@@H+](CCOC(C)C)C[C@@H]2n2ccnn2)CC1	ZINC001129228299	886706824	/nfs/dbraw/zinc/70/68/24/886706824.db2.gz	MEIGIKSMUBKWOI-MSOLQXFVSA-N	1	0	361.490	1.791	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1n1ccnn1	ZINC001129238706	886746049	/nfs/dbraw/zinc/74/60/49/886746049.db2.gz	GIDSRMWAIHKSIP-ZIFCJYIRSA-N	1	0	371.489	1.198	20	30		FDEDRO
CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)CC(C)(C)CC#N)C2	ZINC000920275551	886803440	/nfs/dbraw/zinc/80/34/40/886803440.db2.gz	SRHNLOBANIKPDH-KCYZZUKISA-N	1	0	357.520	1.325	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc(C(F)F)n[nH]2)[C@@H](n2ccnn2)C1	ZINC001129248926	886822802	/nfs/dbraw/zinc/82/28/02/886822802.db2.gz	RXGKZVOCQMHEKU-KGLIPLIRSA-N	1	0	365.388	1.560	20	30		FDEDRO
C#CCN(C(=O)NCCc1cccc(C(=O)N(C)C)c1)C1CC[NH+](C)CC1	ZINC000920316339	886883851	/nfs/dbraw/zinc/88/38/51/886883851.db2.gz	NKPIXEVVLPKAEY-UHFFFAOYSA-N	1	0	370.497	1.670	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ocnc2C2CC2)[C@@H](n2ccnn2)C1	ZINC001129262051	886956404	/nfs/dbraw/zinc/95/64/04/886956404.db2.gz	LNMCQNHBQFXCEY-CABCVRRESA-N	1	0	356.430	1.765	20	30		FDEDRO
Cc1nc(N(C)C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)ccc1C#N	ZINC001062185921	886967734	/nfs/dbraw/zinc/96/77/34/886967734.db2.gz	ANHDBNXQOIVADE-JFIYKMOQSA-N	1	0	355.486	1.887	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNC(=O)CSCC#N)CC[N@@H+]1C	ZINC001062241353	887001989	/nfs/dbraw/zinc/00/19/89/887001989.db2.gz	LSJJPTWKOLOKJE-RBSFLKMASA-N	1	0	352.504	1.081	20	30		FDEDRO
C#CCCCS(=O)(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000711196184	887325063	/nfs/dbraw/zinc/32/50/63/887325063.db2.gz	BQXDUWOZEFVJQM-UHFFFAOYSA-N	1	0	350.484	1.346	20	30		FDEDRO
Cc1nc(C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)ccc1C#N	ZINC000195458386	887348193	/nfs/dbraw/zinc/34/81/93/887348193.db2.gz	KMYURSQCZSYTCN-IYBDPMFKSA-N	1	0	355.486	1.892	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](n2cc(C[NH2+]CC3CCC3)nn2)C1	ZINC001089592404	887540325	/nfs/dbraw/zinc/54/03/25/887540325.db2.gz	RNSUFAYNQRJTPX-KURKYZTESA-N	1	0	359.474	1.532	20	30		FDEDRO
C[N@@H+]1CCN(CCNc2nccc(C#N)c2[N+](=O)[O-])[C@H](c2ccccc2)C1	ZINC000370531212	887641595	/nfs/dbraw/zinc/64/15/95/887641595.db2.gz	MTDVLZWXXMKUTR-KRWDZBQOSA-N	1	0	366.425	2.262	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)Nc2ccc(C[NH+](C)C)cc2)n1	ZINC000446656372	887970440	/nfs/dbraw/zinc/97/04/40/887970440.db2.gz	CMEDCKVVZIYCDJ-UHFFFAOYSA-N	1	0	354.414	1.974	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2c(C)cc(C)cc2C)C[C@H]1OC	ZINC001212257679	888071356	/nfs/dbraw/zinc/07/13/56/888071356.db2.gz	HJKXDNDZABHRAW-WOJBJXKFSA-N	1	0	358.482	1.967	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCc3ccccc32)C[C@H]1OC	ZINC001212262172	888160966	/nfs/dbraw/zinc/16/09/66/888160966.db2.gz	FQVYIMYJVQECDN-HMXCVIKNSA-N	1	0	370.493	1.962	20	30		FDEDRO
C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CCc3ccc4c(c3)CCO4)C[C@@H]2O)C1	ZINC001083763344	888196520	/nfs/dbraw/zinc/19/65/20/888196520.db2.gz	GMNWCWIDTXXIRZ-MSOLQXFVSA-N	1	0	356.466	1.682	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000923181708	888275971	/nfs/dbraw/zinc/27/59/71/888275971.db2.gz	AVIGENWLZPJMHC-KRWDZBQOSA-N	1	0	356.470	1.671	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@H]1C	ZINC001106903411	888297969	/nfs/dbraw/zinc/29/79/69/888297969.db2.gz	QOERHXMEAMOHFF-JHJVBQTASA-N	1	0	363.424	1.950	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)COc2cc(F)ccc2F)C[C@H]1C	ZINC001106903821	888345338	/nfs/dbraw/zinc/34/53/38/888345338.db2.gz	LAVOHYAZBLFELY-HUUCEWRRSA-N	1	0	366.408	1.678	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)CCO3)[C@@H](n2ccnn2)C1	ZINC001129281262	888346974	/nfs/dbraw/zinc/34/69/74/888346974.db2.gz	WYKMNHKUCZCHLQ-MSOLQXFVSA-N	1	0	367.453	1.835	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCO[C@H]2c2ccnn2CC)CC1	ZINC000923202220	888378900	/nfs/dbraw/zinc/37/89/00/888378900.db2.gz	NBWDZDZWOQUWAY-QFBILLFUSA-N	1	0	373.501	1.768	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1	ZINC000938321521	888381043	/nfs/dbraw/zinc/38/10/43/888381043.db2.gz	UDNBRWMWDPCHJY-ULQDDVLXSA-N	1	0	361.486	1.171	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1	ZINC000946891736	888976441	/nfs/dbraw/zinc/97/64/41/888976441.db2.gz	KXVXCJJFBNHSAL-IRXDYDNUSA-N	1	0	361.486	1.171	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)CC[C@H]2CCCC[N@@H+]2C)CC1	ZINC000245554570	889014521	/nfs/dbraw/zinc/01/45/21/889014521.db2.gz	HGZVIVCVHVGHGM-RTBURBONSA-N	1	0	363.550	1.485	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1	ZINC000938680940	889084154	/nfs/dbraw/zinc/08/41/54/889084154.db2.gz	AKZKTFCUXRDEEM-ZACQAIPSSA-N	1	0	363.502	1.511	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCc4ccccc43)C[C@@H]2O)c1	ZINC001083765643	889113999	/nfs/dbraw/zinc/11/39/99/889113999.db2.gz	NOYVPLUNKYQISS-HKBOAZHASA-N	1	0	361.445	1.915	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCc3ccc(CC)cc3)C[C@@H]2O)c1	ZINC001083765748	889156127	/nfs/dbraw/zinc/15/61/27/889156127.db2.gz	TWKIXOTUNGHNTN-RTWAWAEBSA-N	1	0	363.461	1.643	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CC[NH+]([C@@H]2CCN(C)C2=O)CC1	ZINC001006108092	889405109	/nfs/dbraw/zinc/40/51/09/889405109.db2.gz	KQVAMJHTAIABOH-KSZLIROESA-N	1	0	363.502	1.511	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CC[NH+]([C@H](C)C(=O)NC)CC1	ZINC001006109293	889461211	/nfs/dbraw/zinc/46/12/11/889461211.db2.gz	QOGATAGXXXUUQV-PVAVHDDUSA-N	1	0	351.491	1.415	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N[C@@H]1C[C@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O	ZINC000923488985	889464379	/nfs/dbraw/zinc/46/43/79/889464379.db2.gz	VPSWGKWSNJEMIW-HGJKNBTDSA-N	1	0	365.518	1.584	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCCN(CC(C)(C)C)C1=O	ZINC001127604347	889490442	/nfs/dbraw/zinc/49/04/42/889490442.db2.gz	DDKBIQNXCDTSDB-ZACQAIPSSA-N	1	0	365.518	1.711	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)cc1	ZINC000999788883	913351567	/nfs/dbraw/zinc/35/15/67/913351567.db2.gz	GVPWGISILNBAPO-LWYYNNOASA-N	1	0	369.465	1.690	20	30		FDEDRO
C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1	ZINC001006115264	889495481	/nfs/dbraw/zinc/49/54/81/889495481.db2.gz	CUPLSHPVAYWVBG-AZUAARDMSA-N	1	0	368.481	1.547	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(CC(C)C)C(C)C	ZINC001127605227	889512386	/nfs/dbraw/zinc/51/23/86/889512386.db2.gz	VIDIPQMXYWGFJY-SJORKVTESA-N	1	0	353.507	1.566	20	30		FDEDRO
C[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)[C@@H](C[NH3+])C1	ZINC000415446593	889621919	/nfs/dbraw/zinc/62/19/19/889621919.db2.gz	HJPVDWPUMDPYGL-TZMCWYRMSA-N	1	0	356.405	2.474	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)COc1cccc(C)c1	ZINC001127608940	889735708	/nfs/dbraw/zinc/73/57/08/889735708.db2.gz	JLKDJDRUNGMYSG-QRQLOZEOSA-N	1	0	362.470	1.422	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)c2conc2CNC(=O)OC(C)(C)C)C1	ZINC000923552975	889755287	/nfs/dbraw/zinc/75/52/87/889755287.db2.gz	GROFQGXRHZHCHD-CYBMUJFWSA-N	1	0	362.430	1.527	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)CN(Cc1ccccc1)[C@@H]1C[NH2+]C[C@H]1O	ZINC000923560018	889796274	/nfs/dbraw/zinc/79/62/74/889796274.db2.gz	XMMYHKZBFHNERA-VAMGGRTRSA-N	1	0	367.449	1.133	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N2Cc2ccc(C)cc2)C1	ZINC000923573274	889904586	/nfs/dbraw/zinc/90/45/86/889904586.db2.gz	OCLSPGCCGOAMQY-OALUTQOASA-N	1	0	353.466	1.700	20	30		FDEDRO
C#CCN1CCC[C@H](NC(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)C1	ZINC000923582409	889973181	/nfs/dbraw/zinc/97/31/81/889973181.db2.gz	NOUNUKGMWBBDIP-ZFWWWQNUSA-N	1	0	361.392	1.532	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CNC(=O)C2CCCC2)[C@H](OC)C1	ZINC001212311697	890037819	/nfs/dbraw/zinc/03/78/19/890037819.db2.gz	VHGMYSPPYCUHEG-USXIJHARSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cnc3cc(C)ccn32)[C@H](OC)C1	ZINC001212316302	890074409	/nfs/dbraw/zinc/07/44/09/890074409.db2.gz	OGWWPDLABVJEIX-NVXWUHKLSA-N	1	0	358.442	1.274	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1CN(CC(=O)N[C@H](C)C(C)C)C[C@H]1OC	ZINC001212325256	890149250	/nfs/dbraw/zinc/14/92/50/890149250.db2.gz	UKTUNQNIVUVOMO-BZUAXINKSA-N	1	0	353.507	1.565	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(c3ncc(C#N)cc3F)C2)CC[N@@H+]1C	ZINC001063055652	890156140	/nfs/dbraw/zinc/15/61/40/890156140.db2.gz	GZCKKFZOFAGQEW-HLLBOEOZSA-N	1	0	359.449	1.860	20	30		FDEDRO
CCc1nc(C#N)cc(N2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1	ZINC001063057366	890159451	/nfs/dbraw/zinc/15/94/51/890159451.db2.gz	YSNDPRIMBKJXED-VNQPRFMTSA-N	1	0	356.474	1.288	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCC1	ZINC001063188592	890274163	/nfs/dbraw/zinc/27/41/63/890274163.db2.gz	FASWLORJSBRIAD-ULQDDVLXSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1(NC(=O)[C@@H](CC)[NH+](C)C)CCC1	ZINC001063186832	890281706	/nfs/dbraw/zinc/28/17/06/890281706.db2.gz	AZYACTKGOZISLQ-BBWFWOEESA-N	1	0	365.518	1.853	20	30		FDEDRO
N#CCOc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)cc1	ZINC001001840055	891407026	/nfs/dbraw/zinc/40/70/26/891407026.db2.gz	PIJCPZKFFGMZPU-MSOLQXFVSA-N	1	0	370.453	1.039	20	30		FDEDRO
COc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)cc1C#N	ZINC001001840660	891408807	/nfs/dbraw/zinc/40/88/07/891408807.db2.gz	UWRLWMQPQFMRJB-SJORKVTESA-N	1	0	370.453	1.016	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1	ZINC000939886851	891444920	/nfs/dbraw/zinc/44/49/20/891444920.db2.gz	CXJOHILYSMGDRE-NVXWUHKLSA-N	1	0	358.486	1.593	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3occc3CC)C2)CC1	ZINC000939937034	891508461	/nfs/dbraw/zinc/50/84/61/891508461.db2.gz	VLCXYBPALNDZMP-CRAIPNDOSA-N	1	0	371.481	1.764	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1	ZINC001001889035	891566980	/nfs/dbraw/zinc/56/69/80/891566980.db2.gz	OEMKOCHHLMCWIL-BZSNNMDCSA-N	1	0	363.502	1.415	20	30		FDEDRO
C[N@@H+]1CC[C@H](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(C#N)c[nH]2)C3)C1	ZINC001001896923	891582583	/nfs/dbraw/zinc/58/25/83/891582583.db2.gz	FVRHKJNEAAFUSI-MMTVNHQJSA-N	1	0	355.442	1.090	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@H]2C)c1	ZINC000940012711	891634365	/nfs/dbraw/zinc/63/43/65/891634365.db2.gz	SHVBIAYGMDOPFL-AYOQOUSVSA-N	1	0	368.481	1.514	20	30		FDEDRO
C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C#N)[nH]1)C2)C1CCC1	ZINC001002088564	891910941	/nfs/dbraw/zinc/91/09/41/891910941.db2.gz	BRXICJOCJXFAMB-OIISXLGYSA-N	1	0	355.442	1.232	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c[nH]c(C#N)c2)C3)C1	ZINC001002142895	891981519	/nfs/dbraw/zinc/98/15/19/891981519.db2.gz	MNMRGUJSWUVDPS-YYQUZTFQSA-N	1	0	355.442	1.090	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(C#N)c1)C2	ZINC001002141385	892027465	/nfs/dbraw/zinc/02/74/65/892027465.db2.gz	KABALHHXBMVJQI-BDXSIMOUSA-N	1	0	369.469	1.622	20	30		FDEDRO
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccc(OC)cc2)C[C@H]1C	ZINC001106917608	892286127	/nfs/dbraw/zinc/28/61/27/892286127.db2.gz	KTBWZGOKQXTADA-SOLBZPMBSA-N	1	0	371.481	1.060	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)ccc2C)C[C@H]1C	ZINC001106918675	892331335	/nfs/dbraw/zinc/33/13/35/892331335.db2.gz	SXSMGLCKORJQGP-KZNAEPCWSA-N	1	0	355.482	1.739	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccc3c(c2)COC3)C[C@H]1C	ZINC001106920056	892505355	/nfs/dbraw/zinc/50/53/55/892505355.db2.gz	KCIQJIMFMTWUTK-DNVCBOLYSA-N	1	0	371.481	1.246	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCCN2C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC001002339877	892613180	/nfs/dbraw/zinc/61/31/80/892613180.db2.gz	TZHHLGHLIGEYKQ-SOLBZPMBSA-N	1	0	371.485	1.680	20	30		FDEDRO
N#Cc1cc(F)ccc1CS(=O)(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1	ZINC000921911231	892796968	/nfs/dbraw/zinc/79/69/68/892796968.db2.gz	NLWIOJKODSFDPR-QGZVFWFLSA-N	1	0	367.446	1.370	20	30		FDEDRO
C=CCCN(C)C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000670992028	892943032	/nfs/dbraw/zinc/94/30/32/892943032.db2.gz	UMEZLLNOXMMMDD-GOSISDBHSA-N	1	0	358.486	1.126	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3nncn3C)[C@H](C)C2)CCOCC1	ZINC001106931971	893022441	/nfs/dbraw/zinc/02/24/41/893022441.db2.gz	KOTTZSWNAOBJMD-HZPDHXFCSA-N	1	0	361.490	1.372	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](c2ccnn2C)C(C)C)CC1	ZINC000672355398	893175421	/nfs/dbraw/zinc/17/54/21/893175421.db2.gz	SJXMQBWVDHBJED-MRXNPFEDSA-N	1	0	361.490	1.043	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CCCc3c2cnn3C)CC1	ZINC000672356878	893185429	/nfs/dbraw/zinc/18/54/29/893185429.db2.gz	KGJDJAARINMOPO-QGZVFWFLSA-N	1	0	373.501	1.413	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CN(C)C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC001002555288	893200159	/nfs/dbraw/zinc/20/01/59/893200159.db2.gz	IHSAZNGNFCHQLE-VNQPRFMTSA-N	1	0	357.458	1.290	20	30		FDEDRO
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(CC#Cc3ccc(F)cc3)C[C@H]21	ZINC001084231974	913781944	/nfs/dbraw/zinc/78/19/44/913781944.db2.gz	QLGJBOCZZUXSIQ-YZGWKJHDSA-N	1	0	355.457	1.804	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1	ZINC000672579997	894035752	/nfs/dbraw/zinc/03/57/52/894035752.db2.gz	MRDDMWYUVHUJMJ-KRWDZBQOSA-N	1	0	359.470	1.857	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)OC	ZINC000922023330	894422255	/nfs/dbraw/zinc/42/22/55/894422255.db2.gz	GFNTVVUGVNHJBC-HZPDHXFCSA-N	1	0	356.488	1.077	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1	ZINC000922023388	894423083	/nfs/dbraw/zinc/42/30/83/894423083.db2.gz	IUTOJUDFXMLLAB-UHFFFAOYSA-N	1	0	365.455	1.497	20	30		FDEDRO
N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[N@H+](CCCN4CCCC4=O)C[C@H]32)c1	ZINC001084261770	913869675	/nfs/dbraw/zinc/86/96/75/913869675.db2.gz	XXMKFEAYLDIBGQ-NVXWUHKLSA-N	1	0	355.442	1.045	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Br)cn1	ZINC000922024754	894512506	/nfs/dbraw/zinc/51/25/06/894512506.db2.gz	SJHNEMYOPZIMBR-UHFFFAOYSA-N	1	0	372.288	1.562	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C)cc1C(=O)OC	ZINC000922024645	894516215	/nfs/dbraw/zinc/51/62/15/894516215.db2.gz	RLXAKLCEYMHGLL-UHFFFAOYSA-N	1	0	364.467	1.500	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc2c(c1)OCCCO2	ZINC000922024748	894516390	/nfs/dbraw/zinc/51/63/90/894516390.db2.gz	BWNLFLWZSYIBMU-UHFFFAOYSA-N	1	0	364.467	1.566	20	30		FDEDRO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1onc(C2CC2)c1Cl	ZINC000922025852	894536380	/nfs/dbraw/zinc/53/63/80/894536380.db2.gz	PHTPCWZQJUTMQW-UHFFFAOYSA-N	1	0	357.863	1.924	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(C)cc2)C[C@H]1C	ZINC001106957027	894959395	/nfs/dbraw/zinc/95/93/95/894959395.db2.gz	KYDCNLMBOKSBRQ-KZNAEPCWSA-N	1	0	371.481	1.196	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C2C[NH+](Cc3ccccc3C)C2)CC1	ZINC000941571760	895290279	/nfs/dbraw/zinc/29/02/79/895290279.db2.gz	ISHWJDYRSCVSGK-RTWAWAEBSA-N	1	0	369.509	1.915	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCN(C2C[NH+](CC[C@@H](C)F)C2)CC1	ZINC000941600172	895354437	/nfs/dbraw/zinc/35/44/37/895354437.db2.gz	WWPCNGMJKAOCAJ-NEWSRXKRSA-N	1	0	367.509	1.934	20	30		FDEDRO
CCc1sc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)cc1C	ZINC001106960410	895539700	/nfs/dbraw/zinc/53/97/00/895539700.db2.gz	NNHVGXBCTROLFE-ZIAGYGMSSA-N	1	0	362.499	1.556	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2sc(C)nc2C)C[C@H]1C	ZINC001106962313	895986033	/nfs/dbraw/zinc/98/60/33/895986033.db2.gz	FIHVSHKTRPNZKJ-OSAQELSMSA-N	1	0	364.515	1.748	20	30		FDEDRO
CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1	ZINC000942125909	896420940	/nfs/dbraw/zinc/42/09/40/896420940.db2.gz	GOXNAEJACUMRAI-RTBURBONSA-N	1	0	369.465	1.117	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)nn2)C1	ZINC000999992740	896532978	/nfs/dbraw/zinc/53/29/78/896532978.db2.gz	PVNMDGZKICZYPF-UKBAYJJMSA-N	1	0	353.470	1.767	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC2(CCOCC2)C1	ZINC001089947608	896813201	/nfs/dbraw/zinc/81/32/01/896813201.db2.gz	LGTHFZKACBGJGW-QKDSSNGWSA-N	1	0	360.498	1.973	20	30		FDEDRO
COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cn3c(cccc3C)n2)C[C@H]1C	ZINC001106969146	896866622	/nfs/dbraw/zinc/86/66/22/896866622.db2.gz	MEAZFEKLNBYDEO-NVXWUHKLSA-N	1	0	354.454	1.590	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)CC1	ZINC000921697180	896973299	/nfs/dbraw/zinc/97/32/99/896973299.db2.gz	BPSDALRLVPELEU-KRWDZBQOSA-N	1	0	372.444	1.718	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC2(CCOCC2)C1	ZINC001089958202	897283113	/nfs/dbraw/zinc/28/31/13/897283113.db2.gz	UOCNEHKVABJTJJ-GBESFXJTSA-N	1	0	370.497	1.534	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1O	ZINC001077977864	897283972	/nfs/dbraw/zinc/28/39/72/897283972.db2.gz	SSIQCVJXCASNFO-QZTJIDSGSA-N	1	0	367.449	1.664	20	30		FDEDRO
C#CCC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@@H]3CCO[C@H]3C=C)C2)n1	ZINC001128116757	897284718	/nfs/dbraw/zinc/28/47/18/897284718.db2.gz	ADIKHYRMNUIXHD-QRVBRYPASA-N	1	0	368.481	1.481	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCOc2ccccc2)C[C@H]1C	ZINC001106977055	897312853	/nfs/dbraw/zinc/31/28/53/897312853.db2.gz	DDVKIAIAHOJLGR-IAGOWNOFSA-N	1	0	359.470	1.442	20	30		FDEDRO
CC#CC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)n1	ZINC001128133126	897438158	/nfs/dbraw/zinc/43/81/58/897438158.db2.gz	RHXLZUKPXAQVOH-MANSERQUSA-N	1	0	368.481	1.457	20	30		FDEDRO
C[C@H](CC(C)(C)C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1	ZINC001112540666	897653609	/nfs/dbraw/zinc/65/36/09/897653609.db2.gz	INRRCNBTDIURIR-GUXCAODWSA-N	1	0	362.518	1.917	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2scnc2Cl)C[C@H]1C	ZINC001106988667	897719916	/nfs/dbraw/zinc/71/99/16/897719916.db2.gz	KDCNSXOKRCWVSC-IJLUTSLNSA-N	1	0	370.906	1.785	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(CC)C(=O)c3ccc(C#N)[nH]3)C2)CC[N@@H+]1C	ZINC000942744471	897720181	/nfs/dbraw/zinc/72/01/81/897720181.db2.gz	NBSPILGUGCBBFD-SOLBZPMBSA-N	1	0	371.485	1.680	20	30		FDEDRO
Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1	ZINC000921759189	897723435	/nfs/dbraw/zinc/72/34/35/897723435.db2.gz	QPIKVLKPQAGZMG-SFHVURJKSA-N	1	0	356.470	1.198	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)c1	ZINC000765925694	898001853	/nfs/dbraw/zinc/00/18/53/898001853.db2.gz	PMYUCVDGFPMXSV-CABCVRRESA-N	1	0	363.483	1.153	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cncs2)C1	ZINC001078473868	898806671	/nfs/dbraw/zinc/80/66/71/898806671.db2.gz	MOMGVVAYOZJFJF-BMFZPTHFSA-N	1	0	351.472	1.441	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@@]2(CNC(=O)c3ccn4c[nH+]cc4c3)CCC[C@@H]12	ZINC000995355914	898940689	/nfs/dbraw/zinc/94/06/89/898940689.db2.gz	GXQHLCONZAYGPL-WIBUTAKZSA-N	1	0	365.437	1.995	20	30		FDEDRO
C#CCOCCC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)CC2	ZINC001061008872	899020737	/nfs/dbraw/zinc/02/07/37/899020737.db2.gz	QBEATCPSMXVVAX-HZPDHXFCSA-N	1	0	370.453	1.004	20	30		FDEDRO
C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1C[NH2+]CCS(C)(=O)=O	ZINC001107017462	899556388	/nfs/dbraw/zinc/55/63/88/899556388.db2.gz	XTROEYQCZHRIPU-SJLPKXTDSA-N	1	0	362.495	1.157	20	30		FDEDRO
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1	ZINC000415650789	899903401	/nfs/dbraw/zinc/90/34/01/899903401.db2.gz	QIXVXECEYBVXBQ-IUODEOHRSA-N	1	0	359.430	1.319	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1ccn2c[nH+]cc2c1	ZINC000944160358	899925164	/nfs/dbraw/zinc/92/51/64/899925164.db2.gz	HFRRJWRXRUVSHJ-NXHRZFHOSA-N	1	0	368.437	1.646	20	30		FDEDRO
C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C[NH2+]CCCCOC)[C@H](C)C1	ZINC001107036660	900000700	/nfs/dbraw/zinc/00/07/00/900000700.db2.gz	OQEMQKPYKUOCGP-HZPDHXFCSA-N	1	0	368.522	1.361	20	30		FDEDRO
Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)c2c1CCC2	ZINC001107049785	900172580	/nfs/dbraw/zinc/17/25/80/900172580.db2.gz	ATCAOCWSEHYTDS-HZPDHXFCSA-N	1	0	368.481	1.421	20	30		FDEDRO
CC1=C(C)C[C@@](C)(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)CC1	ZINC001107056414	900189328	/nfs/dbraw/zinc/18/93/28/900189328.db2.gz	WGPPGFPXBRPJSN-HLIPFELVSA-N	1	0	360.502	1.837	20	30		FDEDRO
C#CCC1(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)CCCCC1	ZINC001107058801	900291522	/nfs/dbraw/zinc/29/15/22/900291522.db2.gz	AYEAWVUJPGIAER-IAGOWNOFSA-N	1	0	358.486	1.284	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]Cc2cnc(OC)nc2C)[C@H](C)C1	ZINC001107058909	900295701	/nfs/dbraw/zinc/29/57/01/900295701.db2.gz	HLWVPRVLIWACQT-RHSMWYFYSA-N	1	0	362.474	1.570	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(CCC)CCC)[C@H](C)C1	ZINC001107059212	900314090	/nfs/dbraw/zinc/31/40/90/900314090.db2.gz	YBFJGCPQOFNWDL-QZTJIDSGSA-N	1	0	367.534	1.912	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C(C)C)o2)[C@H](C)C1	ZINC001107062453	900370747	/nfs/dbraw/zinc/37/07/47/900370747.db2.gz	LLPOUYRPWZQKMM-RBSFLKMASA-N	1	0	350.463	1.968	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC(C)CC2)[C@H](C)C1	ZINC001107062731	900376643	/nfs/dbraw/zinc/37/66/43/900376643.db2.gz	QYCXKTZMDLGJJD-FGTMMUONSA-N	1	0	365.518	1.520	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)N2CCCCC2)[C@H](C)C1	ZINC001107064976	900453927	/nfs/dbraw/zinc/45/39/27/900453927.db2.gz	CWLJZHQUFGZQIV-KZNAEPCWSA-N	1	0	365.518	1.664	20	30		FDEDRO
C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COC2CCC(C)CC2)C[C@H]1C	ZINC001107072246	900503233	/nfs/dbraw/zinc/50/32/33/900503233.db2.gz	JYSSYZIUURKDJS-QLOLRVAOSA-N	1	0	365.518	1.568	20	30		FDEDRO
NC(=[NH+]OCC(=O)Nc1ccccc1)c1ccc(N2CCC(O)CC2)cc1	ZINC000072921430	900562623	/nfs/dbraw/zinc/56/26/23/900562623.db2.gz	KCKIGZLZKZNNAF-UHFFFAOYSA-N	1	0	368.437	1.923	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCCO2)C[C@H]1C	ZINC001107086097	900707150	/nfs/dbraw/zinc/70/71/50/900707150.db2.gz	OGSRWDPPCQPART-ZACQAIPSSA-N	1	0	351.491	1.322	20	30		FDEDRO
CCn1nc(C)c(C(=O)N2C[C@@H](C[NH2+]CC#Cc3ccccc3)[C@H](C)C2)n1	ZINC001107090751	900774504	/nfs/dbraw/zinc/77/45/04/900774504.db2.gz	RSCFOHSWGAWFLZ-VQIMIIECSA-N	1	0	365.481	1.956	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)[C@H](C)C2)CCCC1	ZINC001107099257	900981600	/nfs/dbraw/zinc/98/16/00/900981600.db2.gz	AILIVWCMJRBGMI-QLFBSQMISA-N	1	0	364.490	1.390	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCCCO2)[C@@H](n2ccnn2)C1	ZINC001129307525	901075100	/nfs/dbraw/zinc/07/51/00/901075100.db2.gz	FBFLNZBYSDKUSC-KURKYZTESA-N	1	0	361.490	1.935	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c(C)noc2C)[C@@H](n2ccnn2)C1	ZINC001129313111	901280662	/nfs/dbraw/zinc/28/06/62/901280662.db2.gz	XXGBLIPLUKZWJM-VHSSKADRSA-N	1	0	370.457	1.127	20	30		FDEDRO
C=CCOC[C@@H]1NC(=O)N(C[C@H](c2ccccc2OC)[NH+]2CCCC2)C1=O	ZINC000348492243	901318773	/nfs/dbraw/zinc/31/87/73/901318773.db2.gz	YOTAXDMBPGHIEJ-DLBZAZTESA-N	1	0	373.453	1.955	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(C[C@H](C)[NH+]2CCN(c3ccccc3)CC2)C1=O	ZINC000348493832	901319104	/nfs/dbraw/zinc/31/91/04/901319104.db2.gz	CKNXLHSXMQBAGQ-FUHWJXTLSA-N	1	0	372.469	1.320	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCCN(c2ccc(C#N)nn2)C3)CC[N@@H+]1C	ZINC001064570377	901387804	/nfs/dbraw/zinc/38/78/04/901387804.db2.gz	IIBCENCHZLYCTN-WRWLIDTKSA-N	1	0	368.485	1.507	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CCC1	ZINC001064584262	901435375	/nfs/dbraw/zinc/43/53/75/901435375.db2.gz	JDIVEVCDRVOLIY-IKGGRYGDSA-N	1	0	363.502	1.605	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@]3(CCN(c4ncc(C#N)cc4F)C3)C2)CC[N@@H+]1C	ZINC001064650269	901519976	/nfs/dbraw/zinc/51/99/76/901519976.db2.gz	SRRIOETVFZARJM-KKVAFCGZSA-N	1	0	371.460	1.861	20	30		FDEDRO
N#Cc1nccnc1N1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1	ZINC001090318022	901652193	/nfs/dbraw/zinc/65/21/93/901652193.db2.gz	ODHRGEQTBJSBPS-DOTOQJQBSA-N	1	0	354.458	1.261	20	30		FDEDRO
CCCCCC[N@H+](C)CC(=O)N1CC[C@H]2CN(c3cnc(C#N)cn3)C[C@H]21	ZINC001090328401	901711971	/nfs/dbraw/zinc/71/19/71/901711971.db2.gz	DWQWPXKYLKGDTP-FUHWJXTLSA-N	1	0	370.501	1.897	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2CN(c3ncccc3C#N)C[C@H]21	ZINC001090340012	901756097	/nfs/dbraw/zinc/75/60/97/901756097.db2.gz	FSPAHEYSWGKQMZ-GVDBMIGSSA-N	1	0	359.449	1.670	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001065196748	901914808	/nfs/dbraw/zinc/91/48/08/901914808.db2.gz	FMZMSIXEBLJDFS-BZUAXINKSA-N	1	0	351.491	1.273	20	30		FDEDRO
C[NH+]=C(NCc1ccc(-n2ccnc2)c(F)c1)N[C@@H]1CCN(C2CC2)C1	ZINC000083167033	901916505	/nfs/dbraw/zinc/91/65/05/901916505.db2.gz	SOFONAWOIASFDM-OAHLLOKOSA-N	1	0	356.449	1.913	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cn(C)nc2C)C1	ZINC001079129737	901936359	/nfs/dbraw/zinc/93/63/59/901936359.db2.gz	DCFHBEHNIKJEAA-WOJBJXKFSA-N	1	0	366.465	1.439	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1	ZINC001079145224	901956546	/nfs/dbraw/zinc/95/65/46/901956546.db2.gz	YFCQLVVNUQENFN-ONUIULTDSA-N	1	0	368.477	1.651	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2[nH]cnc2CC)C1	ZINC001079146707	901969116	/nfs/dbraw/zinc/96/91/16/901969116.db2.gz	BVMFRACABMISRH-RTBURBONSA-N	1	0	366.465	1.683	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](CCCCCNC(=O)CC)CC1	ZINC001079151851	901987361	/nfs/dbraw/zinc/98/73/61/901987361.db2.gz	LRLHLALLYFPJIR-HKUYNNGSSA-N	1	0	365.518	1.808	20	30		FDEDRO
C#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCCC[N@H+]2C)C1	ZINC001079138201	902018545	/nfs/dbraw/zinc/01/85/45/902018545.db2.gz	SXCATONJXWSASL-XUVXKRRUSA-N	1	0	355.482	1.178	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC(=O)N2C)C1	ZINC001079141672	902033501	/nfs/dbraw/zinc/03/35/01/902033501.db2.gz	RTONNBJIGDPLNQ-GUDVDZBRSA-N	1	0	371.481	1.257	20	30		FDEDRO
C[C@@H](C#N)C(=O)NCCCCC[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C)O2)CC1	ZINC001079166168	902035804	/nfs/dbraw/zinc/03/58/04/902035804.db2.gz	WWFYFUVXKQCRQC-GVDBMIGSSA-N	1	0	364.490	1.144	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH2+]CCO)C2)c1	ZINC001079157924	902077719	/nfs/dbraw/zinc/07/77/19/902077719.db2.gz	JEVQXCYGFOYGKV-VQTJNVASSA-N	1	0	367.424	1.782	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1c1cccc(F)c1	ZINC001079203732	902104791	/nfs/dbraw/zinc/10/47/91/902104791.db2.gz	LFJWPUOYKVJPMS-RBUKOAKNSA-N	1	0	361.461	1.618	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(OC)cc[nH]c2=O)C[C@H]1c1cccc(F)c1	ZINC001079206986	902112656	/nfs/dbraw/zinc/11/26/56/902112656.db2.gz	HWABJPJQKMQMFQ-JKSUJKDBSA-N	1	0	369.396	1.766	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)N(C)C2)C[C@H]1c1cccc(F)c1	ZINC001079210867	902119007	/nfs/dbraw/zinc/11/90/07/902119007.db2.gz	FLVSXIYPXYPYLM-RYQLBKOJSA-N	1	0	359.445	1.764	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@]2(CC)CCNC2=O)C[C@H]1c1cccc(F)c1	ZINC001079187507	902133864	/nfs/dbraw/zinc/13/38/64/902133864.db2.gz	JYLPOOGEVNZASI-SQGPQFPESA-N	1	0	359.445	1.812	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccn(CCOC)n2)C[C@H]1c1cccc(F)c1	ZINC001079190447	902146075	/nfs/dbraw/zinc/14/60/75/902146075.db2.gz	SPKVZEYJIADFQV-PKOBYXMFSA-N	1	0	370.428	1.500	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn(C)ccc2=O)C[C@H]1c1cccc(F)c1	ZINC001079190452	902146426	/nfs/dbraw/zinc/14/64/26/902146426.db2.gz	SUIWUDFZDPRXBN-FUHWJXTLSA-N	1	0	353.397	1.355	20	30		FDEDRO
C=C(C)C[NH+]1CCC2(CN(C(=O)c3cnn(C)c3N)[C@@H]3COC[C@@H]32)CC1	ZINC001079238006	902180403	/nfs/dbraw/zinc/18/04/03/902180403.db2.gz	BROKMNPVSPRBMY-JKSUJKDBSA-N	1	0	359.474	1.131	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)c3cc(=O)n(C)o3)[C@@H]3COC[C@@H]32)CC1	ZINC001079238285	902182388	/nfs/dbraw/zinc/18/23/88/902182388.db2.gz	QRSUBYKMWUQWRV-LSDHHAIUSA-N	1	0	361.442	1.107	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)CCc3ncc[nH]3)[C@@H]3COC[C@@H]32)CC1	ZINC001079239467	902187050	/nfs/dbraw/zinc/18/70/50/902187050.db2.gz	VRWCHKQNLUMORL-DLBZAZTESA-N	1	0	358.486	1.858	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)c3nn(C)cc3C)[C@@H]3COC[C@@H]32)CC1	ZINC001079240923	902190170	/nfs/dbraw/zinc/19/01/70/902190170.db2.gz	FWTCSAGDQZIXTF-DLBZAZTESA-N	1	0	356.470	1.305	20	30		FDEDRO
C#CCC[NH+]1CCC2(CN(C(=O)CCc3ccn(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079244924	902250764	/nfs/dbraw/zinc/25/07/64/902250764.db2.gz	MYSQSPUUOPFGDH-RBUKOAKNSA-N	1	0	370.497	1.315	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)c3cnc4[nH]cnc4c3)[C@@H]3COC[C@@H]32)CC1	ZINC001079244841	902251232	/nfs/dbraw/zinc/25/12/32/902251232.db2.gz	IIIWNGLZXCTEPP-DOTOQJQBSA-N	1	0	365.437	1.144	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)C(=O)Nc3ccccc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079250323	902269389	/nfs/dbraw/zinc/26/93/89/902269389.db2.gz	XZHGVLFNZNFMMS-ZWKOTPCHSA-N	1	0	369.465	1.751	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)CCc3cncnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079251346	902271823	/nfs/dbraw/zinc/27/18/23/902271823.db2.gz	RXARLEGTRFJHOB-RBUKOAKNSA-N	1	0	370.497	1.925	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@@H]3COC[C@@H]32)CC1	ZINC001079255525	902283644	/nfs/dbraw/zinc/28/36/44/902283644.db2.gz	AIXMUQFSFFFLTQ-ZWJWXYIHSA-N	1	0	360.498	1.784	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)CC3CC(OCC)C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079256784	902286169	/nfs/dbraw/zinc/28/61/69/902286169.db2.gz	FRDHBYMZVGJSHV-WZOJCFFYSA-N	1	0	360.498	1.764	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)[C@H]3Cc4ccncc4C3)[C@@H]3COC[C@@H]32)CC1	ZINC001079259864	902296079	/nfs/dbraw/zinc/29/60/79/902296079.db2.gz	RWNJWHYJCVGRIB-YSIASYRMSA-N	1	0	367.493	1.922	20	30		FDEDRO
CC#CC[NH+]1CCC2(CN(C(=O)c3conc3CC)[C@@H]3COC[C@@H]32)CC1	ZINC001079259944	902297797	/nfs/dbraw/zinc/29/77/97/902297797.db2.gz	WJWFSCLJGPHDKS-FUHWJXTLSA-N	1	0	357.454	1.813	20	30		FDEDRO
C=CCC[NH+]1CCC2(CN(C(=O)Cn3ccc(C)n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079260793	902298908	/nfs/dbraw/zinc/29/89/08/902298908.db2.gz	PVEQBBICEHCPBS-ZWKOTPCHSA-N	1	0	358.486	1.707	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cnc4cccnn43)[C@@H]3COC[C@@H]32)CC1	ZINC001079263704	902306925	/nfs/dbraw/zinc/30/69/25/902306925.db2.gz	HVORDXPPIWWPIY-DOTOQJQBSA-N	1	0	367.453	1.468	20	30		FDEDRO
C#CC[NH+]1CCC2(CN(C(=O)C[C@@H](C)n3ccnc3)[C@@H]3COC[C@@H]32)CC1	ZINC001079263907	902308254	/nfs/dbraw/zinc/30/82/54/902308254.db2.gz	RAOVWIJIXJNRLL-FGTMMUONSA-N	1	0	356.470	1.407	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CN(C(=O)c3ccncn3)[C@@H]3COC[C@@H]32)CC1	ZINC001079265385	902311151	/nfs/dbraw/zinc/31/11/51/902311151.db2.gz	HAMKYNSYEWOPTC-FUHWJXTLSA-N	1	0	356.470	1.996	20	30		FDEDRO
C=CC[NH+]1CCC2(CN(C(=O)c3cc4ncccn4n3)[C@@H]3COC[C@@H]32)CC1	ZINC001079268137	902319606	/nfs/dbraw/zinc/31/96/06/902319606.db2.gz	PCBDXXPFHONHDB-DOTOQJQBSA-N	1	0	367.453	1.468	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)S(C)(=O)=O)C[C@H]1c1ccccc1F	ZINC001079299365	902343298	/nfs/dbraw/zinc/34/32/98/902343298.db2.gz	MDKCCBRDYAHYAY-UKPHBRMFSA-N	1	0	368.474	1.719	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)cn2C)C[C@H]1c1ccccc1F	ZINC001079301552	902349510	/nfs/dbraw/zinc/34/95/10/902349510.db2.gz	CGTSEIFRQKAKRD-DOTOQJQBSA-N	1	0	370.428	1.647	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)nn2)C[C@H]1c1ccccc1F	ZINC001079317998	902417365	/nfs/dbraw/zinc/41/73/65/902417365.db2.gz	YBHLNBMPMSXWSM-WMLDXEAASA-N	1	0	354.385	1.455	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]C[C@@H](C)O)C2)nc1	ZINC001079318803	902419362	/nfs/dbraw/zinc/41/93/62/902419362.db2.gz	YLHNJAHLWOLQDZ-CFLQYTFWSA-N	1	0	367.424	1.781	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1c1ccccc1F	ZINC001079306364	902437559	/nfs/dbraw/zinc/43/75/59/902437559.db2.gz	NYZXDMXASNWTHS-SOLBZPMBSA-N	1	0	359.445	1.764	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]21	ZINC001084409480	914640733	/nfs/dbraw/zinc/64/07/33/914640733.db2.gz	YBGHNZDITXKLSY-IEBWSBKVSA-N	1	0	366.465	1.719	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C[C@H]3CCOC3)C2)cc1C#N	ZINC001079514504	902742670	/nfs/dbraw/zinc/74/26/70/902742670.db2.gz	SMZWQCGJDRJMMF-QGPMSJSTSA-N	1	0	357.454	1.930	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)Cc3cc[nH]n3)C2)cc1C#N	ZINC001079515294	902743436	/nfs/dbraw/zinc/74/34/36/902743436.db2.gz	XFYRRJODDGSFBL-CXAGYDPISA-N	1	0	353.426	1.469	20	30		FDEDRO
N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc3c[nH+]cn3c2)[nH]1	ZINC000996104022	903088082	/nfs/dbraw/zinc/08/80/82/903088082.db2.gz	NRQVMIHAKUNHPY-JLSDUUJJSA-N	1	0	374.404	1.710	20	30		FDEDRO
COc1cc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)ncn1	ZINC001079708927	903115344	/nfs/dbraw/zinc/11/53/44/903115344.db2.gz	GEQYVVRWJMMVTA-CXAGYDPISA-N	1	0	351.410	1.607	20	30		FDEDRO
C[C@@H]1CN(Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001079710768	903121456	/nfs/dbraw/zinc/12/14/56/903121456.db2.gz	WCYUYPVALLQJRC-LXGCGDOSSA-N	1	0	370.472	1.976	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2cnn(CC)c2)C[C@H]1C	ZINC001079720992	903136113	/nfs/dbraw/zinc/13/61/13/903136113.db2.gz	GAPWEKMUZGAIIX-OWYHZJEWSA-N	1	0	360.502	1.863	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc3c[nH+]cn3c2)c[nH]1	ZINC000996122030	903151632	/nfs/dbraw/zinc/15/16/32/903151632.db2.gz	HLLLHRPEFACCQG-NJAFHUGGSA-N	1	0	374.404	1.710	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(C#N)c1)C2	ZINC000996126121	903160705	/nfs/dbraw/zinc/16/07/05/903160705.db2.gz	KABALHHXBMVJQI-OWSLCNJRSA-N	1	0	369.469	1.622	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1CN(C(=O)CC[N@H+](C)CC)C1	ZINC001079857402	903531192	/nfs/dbraw/zinc/53/11/92/903531192.db2.gz	OXKGBJBQSWPWGB-SJORKVTESA-N	1	0	351.491	1.369	20	30		FDEDRO
C=CCCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001079859530	903546412	/nfs/dbraw/zinc/54/64/12/903546412.db2.gz	AVJUPKOYVSKRCH-HLLBOEOZSA-N	1	0	351.491	1.367	20	30		FDEDRO
C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1(C)C	ZINC000996299102	903634172	/nfs/dbraw/zinc/63/41/72/903634172.db2.gz	RHIDFVASWSUYKI-MJBXVCDLSA-N	1	0	357.882	1.201	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCC(=O)NC4)[C@@H]3C2)cc1	ZINC001084474090	914735513	/nfs/dbraw/zinc/73/55/13/914735513.db2.gz	VYRGWEZIVDRNBJ-RCCFBDPRSA-N	1	0	352.438	1.117	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@@H]1CCCNC1=O	ZINC001079894980	903695965	/nfs/dbraw/zinc/69/59/65/903695965.db2.gz	NKQYYAYKRALBQL-ZTFGCOKTSA-N	1	0	370.453	1.052	20	30		FDEDRO
C=CCCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3c3ccnn3C)nn2)C1	ZINC001107186988	903708690	/nfs/dbraw/zinc/70/86/90/903708690.db2.gz	IVHKZOWMBKPWSZ-IAGOWNOFSA-N	1	0	369.473	1.254	20	30		FDEDRO
C=CCCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)nn2)C1	ZINC001107187079	903709356	/nfs/dbraw/zinc/70/93/56/903709356.db2.gz	NNZIPVOZKOASBI-WKULXVSPSA-N	1	0	357.458	1.141	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)c1cnc[nH]c1=O	ZINC001079929300	903733017	/nfs/dbraw/zinc/73/30/17/903733017.db2.gz	WTLGMPNFJCBTQC-CXAGYDPISA-N	1	0	367.409	1.335	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnnn2C)C(C)(C)C1	ZINC000996395443	903839516	/nfs/dbraw/zinc/83/95/16/903839516.db2.gz	QLRWMFMWGMTALF-BBWFWOEESA-N	1	0	361.490	1.513	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]2C)cc1	ZINC001079978023	903876981	/nfs/dbraw/zinc/87/69/81/903876981.db2.gz	UIGMQIYPRVEBPH-RVKKMQEKSA-N	1	0	359.470	1.778	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@@H]1CCC(=O)NC1	ZINC001080020030	903907230	/nfs/dbraw/zinc/90/72/30/903907230.db2.gz	FBFZOKNORYAXCA-QGPMSJSTSA-N	1	0	370.453	1.052	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1cnn2c1OCCC2	ZINC001080046091	903942943	/nfs/dbraw/zinc/94/29/43/903942943.db2.gz	RTHVHWKVUIZSDB-RDTXWAMCSA-N	1	0	365.437	1.788	20	30		FDEDRO
C=CCCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)nn2)C1	ZINC001107212244	903956146	/nfs/dbraw/zinc/95/61/46/903956146.db2.gz	WAQNQJWGMVQPTA-ZWKOTPCHSA-N	1	0	369.473	1.254	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2CC[C@@]3(CNC(=O)C(C)(C)F)CCC[C@@H]23)C1=O	ZINC001107256811	904158880	/nfs/dbraw/zinc/15/88/80/904158880.db2.gz	SXVRHJKWWBTYGK-SPYBWZPUSA-N	1	0	351.466	1.882	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3ccsc3)CCC[C@@H]12	ZINC001107264043	904209480	/nfs/dbraw/zinc/20/94/80/904209480.db2.gz	RPZKJBKAZODQCD-VQIMIIECSA-N	1	0	359.495	1.401	20	30		FDEDRO
N#Cc1ccccc1C[N@@H+]1CC[C@@]2(CNC(=O)Cn3cnnn3)CCC[C@@H]12	ZINC001107279514	904278357	/nfs/dbraw/zinc/27/83/57/904278357.db2.gz	DGFVYMDIIPLZLR-IEBWSBKVSA-N	1	0	365.441	1.106	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]Cc2snnc2C)CC1	ZINC000996601365	904320548	/nfs/dbraw/zinc/32/05/48/904320548.db2.gz	QUFFMAOUBFYWGN-CABCVRRESA-N	1	0	350.488	1.908	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]Cc2nnc(CC)n2C)CC1	ZINC000996602271	904324793	/nfs/dbraw/zinc/32/47/93/904324793.db2.gz	ZKZVSEJTNGHWKK-CVEARBPZSA-N	1	0	361.490	1.439	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cncnc3C)CCC[C@@H]12	ZINC001107296848	904340065	/nfs/dbraw/zinc/34/00/65/904340065.db2.gz	ZMEJKGMRBJROCM-VQIMIIECSA-N	1	0	357.458	1.062	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)CC2)C1=O	ZINC000996616304	904430409	/nfs/dbraw/zinc/43/04/09/904430409.db2.gz	SSTXFHFJRHGOIR-UKBAYJJMSA-N	1	0	357.498	1.956	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCc1cccnc1)CC2	ZINC001107329118	904493164	/nfs/dbraw/zinc/49/31/64/904493164.db2.gz	IUTDAGCHRMIURY-XAUMDUMWSA-N	1	0	369.469	1.218	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3oc(C)nc3C)CCC[C@@H]12	ZINC001107343401	904502054	/nfs/dbraw/zinc/50/20/54/904502054.db2.gz	ZFFKLVWJLMNYJS-DNVCBOLYSA-N	1	0	360.458	1.568	20	30		FDEDRO
CCCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C#N)[nH]3)CCC[C@@H]12	ZINC001107363697	904561815	/nfs/dbraw/zinc/56/18/15/904561815.db2.gz	MNJVNWQMCHXEAH-VQIMIIECSA-N	1	0	357.458	1.387	20	30		FDEDRO
CC(C)(C)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C#N)[nH]3)CCC[C@@H]12	ZINC001107363516	904562685	/nfs/dbraw/zinc/56/26/85/904562685.db2.gz	DRRMLRKJLUUNNZ-OXQOHEQNSA-N	1	0	371.485	1.775	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CO[C@@H](C)CC)CCC[C@@H]12	ZINC001107363633	904562848	/nfs/dbraw/zinc/56/28/48/904562848.db2.gz	KGGPKKDFNLORPV-FRQCXROJSA-N	1	0	351.491	1.465	20	30		FDEDRO
C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccc1)CC2	ZINC001107366401	904571337	/nfs/dbraw/zinc/57/13/37/904571337.db2.gz	BPRRCQPGKZDWOX-WIYYLYMNSA-N	1	0	353.466	1.687	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)CC3OCCCO3)CCC[C@@H]12	ZINC001107380819	904648578	/nfs/dbraw/zinc/64/85/78/904648578.db2.gz	ACRCHJPEUXPVGZ-VQIMIIECSA-N	1	0	352.475	1.703	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cc(C)ncn1)CC2	ZINC001107381510	904652385	/nfs/dbraw/zinc/65/23/85/904652385.db2.gz	MKEYRBZHKLYQOP-YZGWKJHDSA-N	1	0	358.486	1.973	20	30		FDEDRO
Cc1coc(C)c1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2	ZINC001107387597	904675770	/nfs/dbraw/zinc/67/57/70/904675770.db2.gz	YDVCJQHXFQHKCB-DNVCBOLYSA-N	1	0	358.442	1.511	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc[nH]c3CC)CCC[C@@H]12	ZINC001107388151	904678075	/nfs/dbraw/zinc/67/80/75/904678075.db2.gz	AYXLJYAKKFGPST-YLJYHZDGSA-N	1	0	358.486	1.854	20	30		FDEDRO
COc1cccc(C[N@@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@H](OC)C2)c1C	ZINC001081507212	904720015	/nfs/dbraw/zinc/72/00/15/904720015.db2.gz	JLNIAUXTQLVBMB-IEBWSBKVSA-N	1	0	368.437	1.833	20	30		FDEDRO
O=C(C#CC1CC1)NC[C@]12CCC[C@H]1[N@H+](C[C@@H]1CCc3ncnn31)CC2	ZINC001107399985	904731511	/nfs/dbraw/zinc/73/15/11/904731511.db2.gz	UHRMNOUMWNHXLU-SQGPQFPESA-N	1	0	353.470	1.540	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnnn1CC)CC2	ZINC001107402693	904739772	/nfs/dbraw/zinc/73/97/72/904739772.db2.gz	PBLCHVLBTZIRJI-KVSKMBFKSA-N	1	0	359.474	1.197	20	30		FDEDRO
C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCc1ccnn1C)CC2	ZINC001107402519	904739980	/nfs/dbraw/zinc/73/99/80/904739980.db2.gz	NRCGVANYFBIRKR-YVWKXTFCSA-N	1	0	358.486	1.362	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](OCC)C(C)C)CCC[C@@H]12	ZINC001107403252	904743522	/nfs/dbraw/zinc/74/35/22/904743522.db2.gz	ZMCMWKBWSLNOCQ-YVWKXTFCSA-N	1	0	363.502	1.158	20	30		FDEDRO
C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnc(C)nc1)CC2	ZINC001107404577	904747115	/nfs/dbraw/zinc/74/71/15/904747115.db2.gz	BVNXODSSPRZRHB-UYAOXDASSA-N	1	0	356.470	1.686	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[C@@H]1CCCC(=O)N1	ZINC001080092385	904757778	/nfs/dbraw/zinc/75/77/78/904757778.db2.gz	QKQNAMOZRYMXLF-FHLIZLRMSA-N	1	0	354.454	1.554	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3(C(F)F)CC3)CCC[C@@H]12	ZINC001107409236	904769919	/nfs/dbraw/zinc/76/99/19/904769919.db2.gz	MVHANCAAYYEXEP-CXAGYDPISA-N	1	0	353.413	1.142	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3nnn(C(C)(C)C)n3)CCC[C@@H]12	ZINC001107416982	904785342	/nfs/dbraw/zinc/78/53/42/904785342.db2.gz	XTLFLMUTMATYEC-DNVCBOLYSA-N	1	0	358.490	1.355	20	30		FDEDRO
C=C(C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H](O)COCCOC)CC2	ZINC001107424500	904831715	/nfs/dbraw/zinc/83/17/15/904831715.db2.gz	QUZKBARCPSNLTR-NLWGTHIKSA-N	1	0	368.518	1.727	20	30		FDEDRO
C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C(=O)C(C)C)CCC[C@@H]12	ZINC001107425537	904836800	/nfs/dbraw/zinc/83/68/00/904836800.db2.gz	BHSCFTBZGSKNQA-YLJYHZDGSA-N	1	0	365.518	1.664	20	30		FDEDRO
CO[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C(C)C	ZINC001081658878	904890402	/nfs/dbraw/zinc/89/04/02/904890402.db2.gz	CXLZRXOQRWVRHW-QHAWAJNXSA-N	1	0	369.509	1.726	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc4n(n3)CCCC4)CCC[C@@H]12	ZINC001107446147	904952957	/nfs/dbraw/zinc/95/29/57/904952957.db2.gz	DBQAKTCYPABFBY-TZIWHRDSSA-N	1	0	370.497	1.844	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3(F)CCCC3)CCC[C@@H]12	ZINC001107459375	904979735	/nfs/dbraw/zinc/97/97/35/904979735.db2.gz	RBMVYQXMKZLOPD-CRAIPNDOSA-N	1	0	351.466	1.932	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCn4ccnc4C3)CCC[C@@H]12	ZINC001107454379	905012635	/nfs/dbraw/zinc/01/26/35/905012635.db2.gz	CDYRFHSCOVTCSZ-DBXWQHBBSA-N	1	0	370.497	1.456	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4cncn4C3)CCC[C@@H]12	ZINC001107454772	905014644	/nfs/dbraw/zinc/01/46/44/905014644.db2.gz	NDMVXIQHGHJNJO-YFVAEKQCSA-N	1	0	370.497	1.456	20	30		FDEDRO
CCc1nnsc1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC#CCOC)CC2	ZINC001107465236	905033908	/nfs/dbraw/zinc/03/39/08/905033908.db2.gz	RIAOJQLIAQCZSR-CRAIPNDOSA-N	1	0	362.499	1.725	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccnc(OC)n3)CCC[C@@H]12	ZINC001107467110	905046884	/nfs/dbraw/zinc/04/68/84/905046884.db2.gz	HCJITJYUSFAZRG-VQIMIIECSA-N	1	0	358.442	1.109	20	30		FDEDRO
Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)nc1C	ZINC001107470359	905091733	/nfs/dbraw/zinc/09/17/33/905091733.db2.gz	OHLFUOHJKMVVPZ-YLJYHZDGSA-N	1	0	369.469	1.313	20	30		FDEDRO
N#Cc1cccc(CNC(=O)CONC(=[NH2+])[C@@H]2COc3ccccc3O2)c1	ZINC000764578579	905103679	/nfs/dbraw/zinc/10/36/79/905103679.db2.gz	PIPGBJROUOZMAQ-KRWDZBQOSA-N	1	0	366.377	1.513	20	30		FDEDRO
C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)CCn3ncn(C)c3=O)CCC[C@@H]12	ZINC001107486948	905168281	/nfs/dbraw/zinc/16/82/81/905168281.db2.gz	MIVMWRLDVUAGDB-VQIMIIECSA-N	1	0	361.490	1.299	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)Cn3nc4ccccn4c3=O)CCC[C@@H]12	ZINC001107494545	905194349	/nfs/dbraw/zinc/19/43/49/905194349.db2.gz	NMCUFEBEORGOTR-OXQOHEQNSA-N	1	0	369.469	1.433	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(C)C)CC2	ZINC001107488591	905210090	/nfs/dbraw/zinc/21/00/90/905210090.db2.gz	ODCAAYAGBGJAGF-NSISKUIASA-N	1	0	365.518	1.664	20	30		FDEDRO
CC#CCN1CC[NH+](C2CCC(NC(=O)[C@H]3OCC[C@H]3CC)CC2)CC1	ZINC000996776944	905304908	/nfs/dbraw/zinc/30/49/08/905304908.db2.gz	RHZSGXULWOZNOC-OAHAVBBTSA-N	1	0	361.530	1.870	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCNS(C)(=O)=O)CC2	ZINC001107514675	905310616	/nfs/dbraw/zinc/31/06/16/905310616.db2.gz	QQBIOOYYCWWLFV-LZLYRXPVSA-N	1	0	371.547	1.499	20	30		FDEDRO
COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@]3(C)CCNC3=O)C2)cc1C#N	ZINC001080433848	905423272	/nfs/dbraw/zinc/42/32/72/905423272.db2.gz	SHLHALDPUVHEPO-AUJRIZCKSA-N	1	0	370.453	1.030	20	30		FDEDRO
C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@]34C[C@@H]3CCCC4)CCC[C@@H]12	ZINC001107538299	905435280	/nfs/dbraw/zinc/43/52/80/905435280.db2.gz	LDQJBLBAUCLVKY-NLEAXPPASA-N	1	0	357.498	1.677	20	30		FDEDRO
C=CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)CC1	ZINC000996785513	905465126	/nfs/dbraw/zinc/46/51/26/905465126.db2.gz	KBFDBDUTAWKCPM-BAMZZKKUSA-N	1	0	359.514	1.641	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2C2CCCC2)[C@H](OC)C1	ZINC001082057921	905666759	/nfs/dbraw/zinc/66/67/59/905666759.db2.gz	KFRCSSUPBBGCTA-FGTMMUONSA-N	1	0	351.491	1.021	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(CC)C(=O)C[N@@H+]2CCC[C@@H]2C)C1	ZINC001080557817	905680543	/nfs/dbraw/zinc/68/05/43/905680543.db2.gz	FLZPRCHRNORUAU-IEZWGBDMSA-N	1	0	363.502	1.511	20	30		FDEDRO
CN(C)C(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccc1C#N)CC2	ZINC001107572868	905709634	/nfs/dbraw/zinc/70/96/34/905709634.db2.gz	XVFNNMWSHSSPKD-WIYYLYMNSA-N	1	0	368.481	1.897	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C(=O)N1CCC[C@@H](C)C1	ZINC001080568036	905713363	/nfs/dbraw/zinc/71/33/63/905713363.db2.gz	LIQUQLPVNFQVEX-GPMSIDNRSA-N	1	0	368.481	1.753	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)Cc3c[nH]cn3)CCC[C@@H]12	ZINC001107573811	905719808	/nfs/dbraw/zinc/71/98/08/905719808.db2.gz	KJMOOYABTSLNLO-ILZDJORESA-N	1	0	358.486	1.599	20	30		FDEDRO
C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ncccc3C)C[C@H]2C)nn1	ZINC001080584645	905745915	/nfs/dbraw/zinc/74/59/15/905745915.db2.gz	IJTWPSZYKKZRGB-NVXWUHKLSA-N	1	0	354.458	1.808	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH]nc3C3CC3)CCC[C@@H]12	ZINC001107594564	905879892	/nfs/dbraw/zinc/87/98/92/905879892.db2.gz	OKGBYYBIVBHNBT-OXQOHEQNSA-N	1	0	371.485	1.564	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)n3cccn3)CCC[C@@H]12	ZINC001107601410	905914620	/nfs/dbraw/zinc/91/46/20/905914620.db2.gz	PPNRXWTWOGKBSE-QWFCFKBJSA-N	1	0	358.486	1.845	20	30		FDEDRO
CO[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C	ZINC001082134083	905936614	/nfs/dbraw/zinc/93/66/14/905936614.db2.gz	ZJHQJQHAFKTIEV-ATZDWAIDSA-N	1	0	356.470	1.358	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NC(C)C)CC3)cn1	ZINC001107610409	905969396	/nfs/dbraw/zinc/96/93/96/905969396.db2.gz	YPDYNMVARMELMU-WIYYLYMNSA-N	1	0	368.481	1.562	20	30		FDEDRO
C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(Cl)no3)CCC[C@@H]12	ZINC001107617278	906014460	/nfs/dbraw/zinc/01/44/60/906014460.db2.gz	BUWMCWOJKBJACW-CXAGYDPISA-N	1	0	366.849	1.605	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)Cc3c(C)nc(C)[nH]c3=O)CCC[C@@H]12	ZINC001107631433	906076382	/nfs/dbraw/zinc/07/63/82/906076382.db2.gz	LJIRRGMEQFBNDM-YLJYHZDGSA-N	1	0	356.470	1.726	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)c3ccccc3F)CCC[C@@H]12	ZINC001107631744	906078837	/nfs/dbraw/zinc/07/88/37/906078837.db2.gz	CCVOJEATPQNGKT-WIYYLYMNSA-N	1	0	371.456	1.940	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N3CCOCC3)CCC[C@@H]12	ZINC001107639937	906192053	/nfs/dbraw/zinc/19/20/53/906192053.db2.gz	GIZRPSBJXXVUEK-SFHLNBCPSA-N	1	0	359.514	1.481	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)CNC(=O)c3ccccn3)CCC[C@@H]12	ZINC001107640789	906201532	/nfs/dbraw/zinc/20/15/32/906201532.db2.gz	KASCXWWILNGYSX-YLJYHZDGSA-N	1	0	356.470	1.748	20	30		FDEDRO
C=CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(CC)CC)CC2	ZINC001107650558	906225324	/nfs/dbraw/zinc/22/53/24/906225324.db2.gz	FMRXOGSHHWTNCA-MBOZVWFJSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCCC)CC2	ZINC001107651178	906229366	/nfs/dbraw/zinc/22/93/66/906229366.db2.gz	SNKAXKVZIIFSKQ-FRQCXROJSA-N	1	0	351.491	1.465	20	30		FDEDRO
C[C@@H]1CN(Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001080779464	906244768	/nfs/dbraw/zinc/24/47/68/906244768.db2.gz	OUJJXBJOXDDLGV-SPYBWZPUSA-N	1	0	358.461	1.976	20	30		FDEDRO
COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)COC[C@H]3CCCO3)CCC[C@@H]12	ZINC001107654555	906252372	/nfs/dbraw/zinc/25/23/72/906252372.db2.gz	CFLBFDFBQYRQSV-QWFCFKBJSA-N	1	0	364.486	1.193	20	30		FDEDRO
C=CCCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(C)C1CC1)CC2	ZINC001107649355	906284240	/nfs/dbraw/zinc/28/42/40/906284240.db2.gz	UKFLNRDOYGUKBL-YLJYHZDGSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCc4ccccc43)C[C@H]2OC)nn1	ZINC001082212636	906295228	/nfs/dbraw/zinc/29/52/28/906295228.db2.gz	AWBFBQHADRJVBO-NZSAHSFTSA-N	1	0	367.453	1.581	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1OC	ZINC001082217623	906317253	/nfs/dbraw/zinc/31/72/53/906317253.db2.gz	DNMRGSORSBSWHZ-MANSERQUSA-N	1	0	366.502	1.600	20	30		FDEDRO
COc1cc[nH]c(=O)c1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C	ZINC001080792204	906329012	/nfs/dbraw/zinc/32/90/12/906329012.db2.gz	QBLBZTXLGLPWHP-CZUORRHYSA-N	1	0	366.421	1.918	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)C[N@@H+](C)CCC	ZINC001082301216	906671340	/nfs/dbraw/zinc/67/13/40/906671340.db2.gz	IGGORBQGUHGTMZ-BBWFWOEESA-N	1	0	351.491	1.417	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)CCCC[NH+](C)C	ZINC001082301109	906671447	/nfs/dbraw/zinc/67/14/47/906671447.db2.gz	CCCPSAHLPYWXIU-KSZLIROESA-N	1	0	365.518	1.807	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCC(F)(F)C3)C[C@H]2OC)nc1	ZINC001082333737	906828744	/nfs/dbraw/zinc/82/87/44/906828744.db2.gz	XBTJRLYBERKWCQ-DJIMGWMZSA-N	1	0	363.408	1.927	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](OC)C3CCCC3)C[C@H]2OC)cn1	ZINC001082333896	906830442	/nfs/dbraw/zinc/83/04/42/906830442.db2.gz	GUHYQQUAOVMBIS-VAMGGRTRSA-N	1	0	371.481	1.697	20	30		FDEDRO
C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C3)nc1	ZINC000997004130	906891490	/nfs/dbraw/zinc/89/14/90/906891490.db2.gz	MIFBBOCIXBGODV-NFBPCRFFSA-N	1	0	366.465	1.265	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2cccc(NC(=O)NC)c2)[C@H](OC)C1	ZINC001082326716	906908914	/nfs/dbraw/zinc/90/89/14/906908914.db2.gz	OGQVKTOBZKYMLJ-IAGOWNOFSA-N	1	0	360.458	1.833	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001082326759	906908994	/nfs/dbraw/zinc/90/89/94/906908994.db2.gz	PPGUENZQXAIFBS-KBRIMQKVSA-N	1	0	362.499	1.277	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+][C@@H]2CCN(C3CCC3)C2=O)CC1	ZINC000997010925	906923606	/nfs/dbraw/zinc/92/36/06/906923606.db2.gz	DOHIFEMVCXGOAR-KURKYZTESA-N	1	0	361.486	1.312	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C	ZINC000997030382	906962762	/nfs/dbraw/zinc/96/27/62/906962762.db2.gz	YXQLLUVUUKCFCV-KSIDHJATSA-N	1	0	369.469	1.478	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1cccc(C(N)=O)n1	ZINC001081016577	907029090	/nfs/dbraw/zinc/02/90/90/907029090.db2.gz	RTBXJBOVFGZOMQ-FZKQIMNGSA-N	1	0	363.421	1.302	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2csc(NC(C)=O)n2)C[C@H]1c1ccccc1	ZINC001081139979	907244027	/nfs/dbraw/zinc/24/40/27/907244027.db2.gz	AGWVHDXUKBPGMJ-JKSUJKDBSA-N	1	0	368.462	1.933	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+]CC(=O)N2CCCCC2)CC1	ZINC000997085235	907259804	/nfs/dbraw/zinc/25/98/04/907259804.db2.gz	QDARTGTVBQRUIP-HKUYNNGSSA-N	1	0	363.502	1.561	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C[C@H]1c1ccccc1	ZINC001081148281	907260416	/nfs/dbraw/zinc/26/04/16/907260416.db2.gz	AFQDPCCIHLIZTB-OKZBNKHCSA-N	1	0	365.437	1.136	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([NH2+][C@H]2CCCN(C)C2=O)CC1	ZINC000997085935	907263269	/nfs/dbraw/zinc/26/32/69/907263269.db2.gz	SDNWIALZPLCCGG-BZSNNMDCSA-N	1	0	363.502	1.559	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3nc(C)nn3C2)C[C@H]1c1ccccc1	ZINC001081151212	907265012	/nfs/dbraw/zinc/26/50/12/907265012.db2.gz	AJPJXTZKMASAQO-GBESFXJTSA-N	1	0	363.465	1.366	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCN(C(=O)CC)C2)C[C@H]1c1ccccc1	ZINC001081208883	907313756	/nfs/dbraw/zinc/31/37/56/907313756.db2.gz	QXAFJPFZQPNXHW-GBESFXJTSA-N	1	0	353.466	1.462	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2nc3ncccn3n2)C[C@H]1c1ccccc1	ZINC001081226806	907339752	/nfs/dbraw/zinc/33/97/52/907339752.db2.gz	JHULBJZUQIDWMM-DLBZAZTESA-N	1	0	362.437	1.437	20	30		FDEDRO
C=CCOc1ccc(CC(=O)N[C@@H]2C[N@@H+](C[C@H](C)OC)C[C@H]2OC)cc1	ZINC001082387273	907419981	/nfs/dbraw/zinc/41/99/81/907419981.db2.gz	VSVMOXYAYGYZHM-KFKAGJAMSA-N	1	0	362.470	1.644	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](Oc3cnccc3CNCC#N)C2)CC[N@@H+]1C	ZINC001127888186	907483558	/nfs/dbraw/zinc/48/35/58/907483558.db2.gz	KURJHUYIERXIIV-OKZBNKHCSA-N	1	0	371.485	1.405	20	30		FDEDRO
C#CCNCc1ccncc1O[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC001127888200	907484061	/nfs/dbraw/zinc/48/40/61/907484061.db2.gz	LNJOWKPTBGIIHX-BPQIPLTHSA-N	1	0	356.470	1.124	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(=O)[nH]c(-c3ccccc3)n2)C1	ZINC001082450812	907729801	/nfs/dbraw/zinc/72/98/01/907729801.db2.gz	IRHFQMOLYQWECU-CKEIUWERSA-N	1	0	365.437	1.945	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc3c(c2)CCC(=O)N3C)C1	ZINC001082450920	907729841	/nfs/dbraw/zinc/72/98/41/907729841.db2.gz	LEQKDEWCKHNHFW-CKEIUWERSA-N	1	0	354.454	1.692	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2cnns2)C[C@H]1C	ZINC001082436393	907752629	/nfs/dbraw/zinc/75/26/29/907752629.db2.gz	LTQLJUPGOYGUOO-BXUZGUMPSA-N	1	0	357.439	1.669	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[C@H]3CCOC3)C[C@H]2C)cc1C#N	ZINC001082455894	907854443	/nfs/dbraw/zinc/85/44/43/907854443.db2.gz	IDXIEDVUPDEUND-QGPMSJSTSA-N	1	0	357.454	1.930	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1[NH2+]Cc1cc(=O)[nH]c(C2CC2)n1	ZINC001082464993	907900389	/nfs/dbraw/zinc/90/03/89/907900389.db2.gz	WRBFLFOIOYFSMA-BDJLRTHQSA-N	1	0	366.425	1.510	20	30		FDEDRO
COc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(C#N)ccc3F)C2)on1	ZINC001082484607	907911361	/nfs/dbraw/zinc/91/13/61/907911361.db2.gz	VOMUUBXDKKMVRP-IAQYHMDHSA-N	1	0	358.373	1.944	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082488678	907989144	/nfs/dbraw/zinc/98/91/44/907989144.db2.gz	HVEJVVPOMZOCJB-CXAGYDPISA-N	1	0	356.405	1.316	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)CCn3ccnn3)C[C@H]2C)cc1C#N	ZINC001082488810	907989931	/nfs/dbraw/zinc/98/99/31/907989931.db2.gz	QLEVHALVVIVEHI-RHSMWYFYSA-N	1	0	368.441	1.185	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCOC3(CCSCC3)C2)CC1	ZINC000921553725	908002626	/nfs/dbraw/zinc/00/26/26/908002626.db2.gz	FJHAERZVGCWIBU-MRXNPFEDSA-N	1	0	351.516	1.828	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2cncnc2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082491870	908007117	/nfs/dbraw/zinc/00/71/17/908007117.db2.gz	RMBAWRZHJWQNPD-FZKQIMNGSA-N	1	0	353.401	1.667	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)o1	ZINC001082499073	908077737	/nfs/dbraw/zinc/07/77/37/908077737.db2.gz	NJXOKBTUOOLYAH-BDJLRTHQSA-N	1	0	357.389	1.568	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)o1	ZINC001082499205	908078103	/nfs/dbraw/zinc/07/81/03/908078103.db2.gz	XHFJNCARCBSTSB-BDJLRTHQSA-N	1	0	357.389	1.568	20	30		FDEDRO
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+][C@@H]1CCN(c2ccccc2)C1=O	ZINC001082504841	908118545	/nfs/dbraw/zinc/11/85/45/908118545.db2.gz	MDGQRCGHSKBOJV-ATZDWAIDSA-N	1	0	351.450	1.642	20	30		FDEDRO
Cc1cn(C)nc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1	ZINC001082505732	908124512	/nfs/dbraw/zinc/12/45/12/908124512.db2.gz	BVAFFHIPPGDFQC-SJKOYZFVSA-N	1	0	355.417	1.990	20	30		FDEDRO
C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1	ZINC000997300227	908151967	/nfs/dbraw/zinc/15/19/67/908151967.db2.gz	ICDSKDZNEPVWOP-NXHRZFHOSA-N	1	0	365.518	1.805	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC001082517521	908196877	/nfs/dbraw/zinc/19/68/77/908196877.db2.gz	RHDWEDJNELKFRT-XHSVMWQWSA-N	1	0	372.444	1.549	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@@H]2C=CCC2)CC1	ZINC000997358081	908314970	/nfs/dbraw/zinc/31/49/70/908314970.db2.gz	VUEKJWXYCGSQEL-LMCOJAPRSA-N	1	0	369.509	1.936	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC=CCC2)CC1	ZINC000997357269	908324185	/nfs/dbraw/zinc/32/41/85/908324185.db2.gz	JJGCDYHPVYVNSV-YRPNKDGESA-N	1	0	369.509	1.936	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3CC)C[C@H]2O)nn1	ZINC001077802529	908347597	/nfs/dbraw/zinc/34/75/97/908347597.db2.gz	MFDMEJMZNYUUBF-SJLPKXTDSA-N	1	0	355.442	1.002	20	30		FDEDRO
C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3ccccc3C)C[C@H]2O)nn1	ZINC001077802602	908348389	/nfs/dbraw/zinc/34/83/89/908348389.db2.gz	PGMVZYGSOOKXFO-YXJHDRRASA-N	1	0	355.442	1.309	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082542226	908414256	/nfs/dbraw/zinc/41/42/56/908414256.db2.gz	ADFKVWHXEDIVAG-ISTRZQFTSA-N	1	0	358.417	1.112	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CN(CC#Cc3ccccc3)CCO2)CC[N@@H+]1C	ZINC001107954640	908490082	/nfs/dbraw/zinc/49/00/82/908490082.db2.gz	UBGIODFAQDLTIS-UZKOGDIHSA-N	1	0	369.509	1.585	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccncc2Cl)C1	ZINC001082567825	908702710	/nfs/dbraw/zinc/70/27/10/908702710.db2.gz	DQSWQLGNODSBNB-OLMNPRSZSA-N	1	0	360.889	1.769	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C[N@@H+]1C1CC1	ZINC000267908978	908734678	/nfs/dbraw/zinc/73/46/78/908734678.db2.gz	LIIUKCRVTRMRKU-GOEBONIOSA-N	1	0	354.458	1.410	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCN(C)C2=O)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082580954	908784144	/nfs/dbraw/zinc/78/41/44/908784144.db2.gz	OBDDOCSJUONJPY-FHLIZLRMSA-N	1	0	354.454	1.363	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cnc3n2CCOC3)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082573161	908805743	/nfs/dbraw/zinc/80/57/43/908805743.db2.gz	WWWXWYYBTXLVPS-RHSMWYFYSA-N	1	0	365.437	1.535	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)C(C)(C)C(N)=O)C[C@H]2C)cc1C#N	ZINC001082574031	908817097	/nfs/dbraw/zinc/81/70/97/908817097.db2.gz	QHRJUXYMKKHLDX-IUODEOHRSA-N	1	0	358.442	1.015	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cccc(C(N)=O)c2)C[C@H]1C	ZINC001082598763	908952198	/nfs/dbraw/zinc/95/21/98/908952198.db2.gz	RKHVHZMAUJZLIV-QMTHXVAHSA-N	1	0	366.259	1.744	20	30		FDEDRO
CCS(=O)(=O)NCCC[NH2+]Cc1cc(C#N)ccc1Br	ZINC000921627024	908988333	/nfs/dbraw/zinc/98/83/33/908988333.db2.gz	CMNPIPQFLWUHMC-UHFFFAOYSA-N	1	0	360.277	1.740	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082614876	909051839	/nfs/dbraw/zinc/05/18/39/909051839.db2.gz	QAFRVMWPKNZUBT-RDTXWAMCSA-N	1	0	350.422	1.507	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)[C@H](OC)C1	ZINC001212365892	909215552	/nfs/dbraw/zinc/21/55/52/909215552.db2.gz	QSDYEXNBTKIBMH-BZUAXINKSA-N	1	0	365.474	1.086	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cnn(C(C)(C)C)c2C)[C@H](OC)C1	ZINC001212367988	909241187	/nfs/dbraw/zinc/24/11/87/909241187.db2.gz	CGQACUFFAPLRRE-IAGOWNOFSA-N	1	0	364.490	1.578	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCn2cncn2)CC1	ZINC000997588813	909266019	/nfs/dbraw/zinc/26/60/19/909266019.db2.gz	GDQHKWXRAUANFL-JQHSSLGASA-N	1	0	361.490	1.476	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC001082659437	909373537	/nfs/dbraw/zinc/37/35/37/909373537.db2.gz	KYOIQVMGGHROLK-FXHACXQTSA-N	1	0	358.417	1.160	20	30		FDEDRO
C[C@@H]1CN(C(=O)CCn2ccnc2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082673271	909510418	/nfs/dbraw/zinc/51/04/18/909510418.db2.gz	ATEBEQJUXWMQMN-VQIMIIECSA-N	1	0	367.453	1.812	20	30		FDEDRO
Cc1noc(CCC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(C#N)ccc3F)C2)n1	ZINC001082674878	909525710	/nfs/dbraw/zinc/52/57/10/909525710.db2.gz	HOKCOOVMFDHMBD-SJKOYZFVSA-N	1	0	371.416	1.958	20	30		FDEDRO
Cn1nnc2c1nccc2C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000282273451	909545660	/nfs/dbraw/zinc/54/56/60/909545660.db2.gz	UDLGUFBJXFHQLU-UHFFFAOYSA-N	1	0	363.425	1.439	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(=O)c(OC)co3)C2)cc1	ZINC001082678633	909564044	/nfs/dbraw/zinc/56/40/44/909564044.db2.gz	JGIGDTHKMFKNBK-RDTXWAMCSA-N	1	0	366.417	1.880	20	30		FDEDRO
COc1nn(C)cc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC001082681167	909592879	/nfs/dbraw/zinc/59/28/79/909592879.db2.gz	ZASYYVCEXKNXBV-CXAGYDPISA-N	1	0	353.426	1.551	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC001082697732	909657154	/nfs/dbraw/zinc/65/71/54/909657154.db2.gz	VLYAEYMXCFUKKC-WIBUTAKZSA-N	1	0	354.454	1.411	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1C	ZINC001082699844	909672683	/nfs/dbraw/zinc/67/26/83/909672683.db2.gz	FMMPPCGIQKFMKI-KBRIMQKVSA-N	1	0	370.453	1.124	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cccc(=O)n2C)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001082731658	909875978	/nfs/dbraw/zinc/87/59/78/909875978.db2.gz	MBVUJOUKPDEJIZ-RHSMWYFYSA-N	1	0	350.422	1.507	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1	ZINC001082737801	909915052	/nfs/dbraw/zinc/91/50/52/909915052.db2.gz	NXBOQNUXQMIMAX-ZTQAJYAQSA-N	1	0	370.453	1.052	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](OC)C1	ZINC000946429995	909995988	/nfs/dbraw/zinc/99/59/88/909995988.db2.gz	LCYKOGOVGOAQOB-IAGOWNOFSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)n2nnnc2C(C)(C)C)[C@H](OC)C1	ZINC001212387006	910181884	/nfs/dbraw/zinc/18/18/84/910181884.db2.gz	NENJDJRZKDWDFK-RBSFLKMASA-N	1	0	364.494	1.313	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(C4CC4)no3)C2)nn1	ZINC001082791686	910193313	/nfs/dbraw/zinc/19/33/13/910193313.db2.gz	WRIMHXKIZXLYSG-MLGOLLRUSA-N	1	0	356.430	1.580	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(C#N)ccc3F)C2)nn1	ZINC001082791656	910193710	/nfs/dbraw/zinc/19/37/10/910193710.db2.gz	VMPIEEUYVNEOFR-CXAGYDPISA-N	1	0	368.416	1.725	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC001082802523	910226809	/nfs/dbraw/zinc/22/68/09/910226809.db2.gz	LEORUENFQIHTAD-ISTRZQFTSA-N	1	0	358.417	1.303	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cc(CC)nn2C)C[C@H]1C	ZINC001082821915	910318513	/nfs/dbraw/zinc/31/85/13/910318513.db2.gz	YDKZOZBHUHZNBM-ZWNOBZJWSA-N	1	0	355.280	1.941	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nnc(C(C)C)[nH]2)CC1	ZINC000998094701	910331614	/nfs/dbraw/zinc/33/16/14/910331614.db2.gz	MOKCPLMTLVXAOH-CVEARBPZSA-N	1	0	361.490	1.847	20	30		FDEDRO
CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(C#N)ccc3F)C2)nn1	ZINC001082829483	910350333	/nfs/dbraw/zinc/35/03/33/910350333.db2.gz	ZFBHEAPAHKJUBS-MLGOLLRUSA-N	1	0	356.405	1.559	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCCCN(C)C2=O)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082857098	910493163	/nfs/dbraw/zinc/49/31/63/910493163.db2.gz	RZFJYDNCKRNSJR-ATZDWAIDSA-N	1	0	368.481	1.753	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)C3CCCCC3)C[C@H]2OC)CCC1	ZINC001212393198	910655530	/nfs/dbraw/zinc/65/55/30/910655530.db2.gz	HNCYJBWPFWDSBK-CEXWTWQISA-N	1	0	362.514	1.937	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1	ZINC001082885381	910667301	/nfs/dbraw/zinc/66/73/01/910667301.db2.gz	WPMIHZDUPPLDBA-AYOQOUSVSA-N	1	0	353.466	1.268	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cnn(CCOC)c2)C[C@H]1C	ZINC001082889827	910702642	/nfs/dbraw/zinc/70/26/42/910702642.db2.gz	ZJTAVKTVFIKCNV-BXUZGUMPSA-N	1	0	371.279	1.488	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1C	ZINC001082920729	910919335	/nfs/dbraw/zinc/91/93/35/910919335.db2.gz	ALXATYRGWHNIOC-CXAGYDPISA-N	1	0	353.426	1.551	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3c[nH]c4ncccc34)C[C@H]2C)C1=O	ZINC001082928819	910940921	/nfs/dbraw/zinc/94/09/21/910940921.db2.gz	GXXLBKQGMKTQAD-XOKHGSTOSA-N	1	0	367.453	1.400	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cncc(C(N)=O)c2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC001082926900	910958481	/nfs/dbraw/zinc/95/84/81/910958481.db2.gz	ABACMALMSVUNIU-FZKQIMNGSA-N	1	0	363.421	1.302	20	30		FDEDRO
CCN1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)s3)C2)C1	ZINC001082933914	910989239	/nfs/dbraw/zinc/98/92/39/910989239.db2.gz	ORFWPTIMTUTVPK-KBRIMQKVSA-N	1	0	362.499	1.277	20	30		FDEDRO
COCCOc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+](CCOC)C1	ZINC000273150725	911135323	/nfs/dbraw/zinc/13/53/23/911135323.db2.gz	HQTOYOVXZVAQEE-HNNXBMFYSA-N	1	0	362.430	1.426	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(C)cc(C)c2)C[C@H]1O	ZINC001077821951	911155034	/nfs/dbraw/zinc/15/50/34/911155034.db2.gz	PWMVULKFEDMERF-NMLBUPMWSA-N	1	0	358.482	1.946	20	30		FDEDRO
CO[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1	ZINC001212403539	911180270	/nfs/dbraw/zinc/18/02/70/911180270.db2.gz	MVEJIWFMSFPMGR-QZTJIDSGSA-N	1	0	356.470	1.358	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)C4CCCCC4)[C@H]3C2)C1=O	ZINC001082984963	911323679	/nfs/dbraw/zinc/32/36/79/911323679.db2.gz	DLPOGKLZBATURL-FGTMMUONSA-N	1	0	361.486	1.265	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2c(C)nnn2CC)C1	ZINC000998789493	911682534	/nfs/dbraw/zinc/68/25/34/911682534.db2.gz	ZWDDQJLWXXLISG-IOTAOYMUSA-N	1	0	361.490	1.667	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CCCC[N@H+]2C)nc1	ZINC000998951681	911903184	/nfs/dbraw/zinc/90/31/84/911903184.db2.gz	GGYKFRLQHXOAHY-BVBHFADKSA-N	1	0	366.465	1.409	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@H]2CC[N@@H+](C)C2)cn1	ZINC000998956528	911926426	/nfs/dbraw/zinc/92/64/26/911926426.db2.gz	IKEZCCQMZPDIIU-OAOYMFHYSA-N	1	0	366.465	1.266	20	30		FDEDRO
C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4cccn4)cc3)[C@H]2C1	ZINC001083105508	912041672	/nfs/dbraw/zinc/04/16/72/912041672.db2.gz	DPOYSJZAWBTWDW-RBUKOAKNSA-N	1	0	352.438	1.974	20	30		FDEDRO
C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3COc4ccc(F)cc4C3)[C@H]2C1	ZINC001083142448	912165599	/nfs/dbraw/zinc/16/55/99/912165599.db2.gz	JQGOOFNYYBXQRX-HHXXYDBFSA-N	1	0	360.429	1.865	20	30		FDEDRO
C[NH+]1CCC(C(=O)N2C[C@H]3CCN(CC#Cc4ccccc4)C[C@H]32)CC1	ZINC001084629403	915752325	/nfs/dbraw/zinc/75/23/25/915752325.db2.gz	VMKMSBDZSIOZII-NHCUHLMSSA-N	1	0	351.494	1.913	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCCCC(=O)N4)[C@@H]3C2)cc1	ZINC001084654447	915894945	/nfs/dbraw/zinc/89/49/45/915894945.db2.gz	SNQLTLUEMIHJMC-CEXWTWQISA-N	1	0	366.465	1.650	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CN2c3ccccc3OCCC2=O)CC1	ZINC000729976008	915900550	/nfs/dbraw/zinc/90/05/50/915900550.db2.gz	TYSYFKVKAISQNP-UHFFFAOYSA-N	1	0	357.454	1.959	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](C[C@@H]4CCNC(=O)CC4)C[C@H]32)nc1	ZINC001084783875	917088967	/nfs/dbraw/zinc/08/89/67/917088967.db2.gz	PEWSOPIGMAKYKM-YQVWRLOYSA-N	1	0	366.465	1.126	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN([C@H](C)c4ncccn4)C[C@H]32)CC1	ZINC001084851176	917658815	/nfs/dbraw/zinc/65/88/15/917658815.db2.gz	PYCYSODSMHBATO-BHIYHBOVSA-N	1	0	367.497	1.416	20	30		FDEDRO
C#CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)cc1	ZINC000731058525	917678151	/nfs/dbraw/zinc/67/81/51/917678151.db2.gz	HTBBKRNEGAZURS-SJLPKXTDSA-N	1	0	369.465	1.970	20	30		FDEDRO
C#CCOc1cccc(NC(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)c1	ZINC000731058672	917678744	/nfs/dbraw/zinc/67/87/44/917678744.db2.gz	JSNTVODOMOZHAI-WMZOPIPTSA-N	1	0	369.465	1.970	20	30		FDEDRO
O=C([C@H]1COCCO1)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1	ZINC001084894828	918075330	/nfs/dbraw/zinc/07/53/30/918075330.db2.gz	WNFLXTQBIGDMIS-HSALFYBXSA-N	1	0	354.450	1.376	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)c4cncs4)C[C@@H]32)C1=O	ZINC001084898599	918098115	/nfs/dbraw/zinc/09/81/15/918098115.db2.gz	XMVDKURMSRRQNV-ZNMIVQPWSA-N	1	0	360.483	1.466	20	30		FDEDRO
CCn1cc(CC[N@@H+]2CC[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]32)cn1	ZINC001084921510	918363240	/nfs/dbraw/zinc/36/32/40/918363240.db2.gz	CXLCYSOREQQKNJ-APWZRJJASA-N	1	0	366.469	1.882	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)/C=C/c4ccc[nH]4)C[C@@H]32)C1=O	ZINC001084928608	918424626	/nfs/dbraw/zinc/42/46/26/918424626.db2.gz	VUMCKBOGOOFQLW-PYGXPYLVSA-N	1	0	368.481	1.738	20	30		FDEDRO
O=C(C#CC1CC1)N1CC[C@H]2CC[N@@H+](C[C@H](O)Cc3ccccc3)[C@H]2C1	ZINC001084937822	918579870	/nfs/dbraw/zinc/57/98/70/918579870.db2.gz	FXPQKBPBUNOHNM-NJYVYQBISA-N	1	0	352.478	1.926	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(C(F)(F)F)n(C)n3)C[C@@H]21	ZINC001084949133	918674636	/nfs/dbraw/zinc/67/46/36/918674636.db2.gz	ZKFLOQXQKUDGKE-OCCSQVGLSA-N	1	0	354.376	1.999	20	30		FDEDRO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)Cn4nccn4)C[C@@H]32)cc1F	ZINC001084949790	918687191	/nfs/dbraw/zinc/68/71/91/918687191.db2.gz	XKGOMZWRDDCTPD-QAPCUYQASA-N	1	0	368.416	1.412	20	30		FDEDRO
CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3[nH]c(C)c(C(N)=O)c3CC)C[C@@H]21	ZINC001084957330	918814696	/nfs/dbraw/zinc/81/46/96/918814696.db2.gz	NYSAQZTWPZVSPM-ZBFHGGJFSA-N	1	0	356.470	1.544	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)c4ccccc43)C[C@@H]21	ZINC001084960634	918835563	/nfs/dbraw/zinc/83/55/63/918835563.db2.gz	YVVWMISOZOCPCK-LZQZEXGQSA-N	1	0	351.450	1.460	20	30		FDEDRO
C#CC[C@H](CO)NC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21	ZINC000820352675	918842504	/nfs/dbraw/zinc/84/25/04/918842504.db2.gz	ATLDVOQNIBBEKB-YSTOQKLRSA-N	1	0	355.482	1.971	20	30		FDEDRO
CCOc1c(OC)cc(C=NNC(=S)NCCC[NH+](C)C)cc1OC	ZINC000731929245	918850541	/nfs/dbraw/zinc/85/05/41/918850541.db2.gz	CGVDBRSRLXGNAS-UHFFFAOYSA-N	1	0	368.503	1.852	20	30		FDEDRO
COc1cc2c(cc1C=NNC(=S)NCCC[NH+](C)C)O[C@@H](C)C2	ZINC000731929301	918850815	/nfs/dbraw/zinc/85/08/15/918850815.db2.gz	UZGFUMGRTQUQSX-LBPRGKRZSA-N	1	0	350.488	1.768	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCO[C@H]3c3cnn(C)c3)C[C@@H]21	ZINC001084960979	918904991	/nfs/dbraw/zinc/90/49/91/918904991.db2.gz	COEIJTIXAWFDLN-LMCOJAPRSA-N	1	0	370.497	1.834	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCOC3CCC3)[C@H]2C1	ZINC001084960949	918905619	/nfs/dbraw/zinc/90/56/19/918905619.db2.gz	AQGCDTRFDGDZAS-HOJAQTOUSA-N	1	0	359.514	1.576	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1	ZINC000732150937	919150980	/nfs/dbraw/zinc/15/09/80/919150980.db2.gz	MJHLZJVWYPNRGF-FQEVSTJZSA-N	1	0	355.482	1.875	20	30		FDEDRO
CN(CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O)[C@H]1CC[N@@H+](C2CC2)C1	ZINC000732188973	919162552	/nfs/dbraw/zinc/16/25/52/919162552.db2.gz	NTWIHCJIZPEIBG-SFHVURJKSA-N	1	0	367.453	1.448	20	30		FDEDRO
C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3COCCN3CC3CCC3)C[C@@H]21	ZINC001084998463	919388817	/nfs/dbraw/zinc/38/88/17/919388817.db2.gz	NWQOTOSUACEPOR-AABGKKOBSA-N	1	0	361.530	1.986	20	30		FDEDRO
N#Cc1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CCNC4=O)C[C@@H]32)ccc1F	ZINC001085005182	919503184	/nfs/dbraw/zinc/50/31/84/919503184.db2.gz	KNQXICPQIBEIFC-HFTRVMKXSA-N	1	0	370.428	1.256	20	30		FDEDRO
Cn1c(C(=O)N2CC[C@H]3CC[N@H+](Cc4ccccc4C#N)[C@H]3C2)c[nH]c1=O	ZINC001085006327	919570162	/nfs/dbraw/zinc/57/01/62/919570162.db2.gz	NGXQQACGNONCQC-KDOFPFPSSA-N	1	0	365.437	1.734	20	30		FDEDRO
Cn1cc(C(=O)N2CC[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)[C@H]3C2)[nH]c1=O	ZINC001085022720	919775432	/nfs/dbraw/zinc/77/54/32/919775432.db2.gz	GUNRXMKVBDPUCE-AEFFLSMTSA-N	1	0	365.437	1.734	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1	ZINC000732677753	919965628	/nfs/dbraw/zinc/96/56/28/919965628.db2.gz	XBBAHGQMMPNTCY-MRXNPFEDSA-N	1	0	363.506	1.258	20	30		FDEDRO
C[NH+](C)[C@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)Cc1ccccc1	ZINC000732700322	919990773	/nfs/dbraw/zinc/99/07/73/919990773.db2.gz	HQRNYEWFMGSRPY-OALUTQOASA-N	1	0	355.486	1.541	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)cc1	ZINC000732705820	919998840	/nfs/dbraw/zinc/99/88/40/919998840.db2.gz	JESWJIBGZCZYAV-UHFFFAOYSA-N	1	0	373.453	1.206	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3nnc4ccccc4c3O)C[C@@H]21	ZINC001085047529	920046110	/nfs/dbraw/zinc/04/61/10/920046110.db2.gz	XBROJVNTMNVHBV-PBHICJAKSA-N	1	0	350.422	1.895	20	30		FDEDRO
C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000732810672	920158899	/nfs/dbraw/zinc/15/88/99/920158899.db2.gz	NXRVWCQIAPMCMP-ZFWWWQNUSA-N	1	0	371.359	1.393	20	30		FDEDRO
C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@@H]21	ZINC001085068617	920424247	/nfs/dbraw/zinc/42/42/47/920424247.db2.gz	HJOBXIKYIUYPDP-CABCVRRESA-N	1	0	362.474	1.206	20	30		FDEDRO
C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)CCc3ccccc3C(N)=O)C[C@@H]21	ZINC001085075128	920499088	/nfs/dbraw/zinc/49/90/88/920499088.db2.gz	RRJLOOWNZAFWNC-MJGOQNOKSA-N	1	0	353.466	1.664	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1CC[C@H]2CC[N@H+](C[C@H]3CCOC3)[C@H]2C1	ZINC001085077685	920580021	/nfs/dbraw/zinc/58/00/21/920580021.db2.gz	XCSQOEHRBWISAA-LMMKCTJWSA-N	1	0	369.465	1.667	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCC(=O)N2)c1	ZINC001085150435	921810130	/nfs/dbraw/zinc/81/01/30/921810130.db2.gz	GZTQKFCDOGMGCY-BRWVUGGUSA-N	1	0	358.417	1.493	20	30		FDEDRO
Cc1c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)nnn1C	ZINC001085158843	921870854	/nfs/dbraw/zinc/87/08/54/921870854.db2.gz	YLIILKOGSSWRKU-IAGOWNOFSA-N	1	0	352.442	1.826	20	30		FDEDRO
C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(C#N)c1)C(=O)N1CCCCC1	ZINC001085176720	922008193	/nfs/dbraw/zinc/00/81/93/922008193.db2.gz	UBAFVTLMSPSHTR-ZTFGCOKTSA-N	1	0	371.485	1.918	20	30		FDEDRO
Cn1ncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(F)c(C#N)c2)c1N	ZINC001085178814	922028938	/nfs/dbraw/zinc/02/89/38/922028938.db2.gz	WQZMLOVZMFMILD-IAGOWNOFSA-N	1	0	370.432	1.844	20	30		FDEDRO
COc1ccc(C#N)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ncn(C)n1	ZINC001085190813	922120124	/nfs/dbraw/zinc/12/01/24/922120124.db2.gz	URHGMGSJRVVDBZ-HZPDHXFCSA-N	1	0	368.441	1.526	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CCN(c3ncc(C#N)cc3F)C2)CC[N@@H+]1C	ZINC001065346398	922244762	/nfs/dbraw/zinc/24/47/62/922244762.db2.gz	UOKNDSVTXWRHTK-ZSZQSSIHSA-N	1	0	359.449	1.908	20	30		FDEDRO
Cc1cc(NC[C@@]2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C#N)cn1	ZINC001065502082	922317553	/nfs/dbraw/zinc/31/75/53/922317553.db2.gz	AVEWZFYNQHIQRP-WRWLIDTKSA-N	1	0	355.486	1.674	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@]1(CO)CCCN(Cc2ccccc2)C1	ZINC000733898684	922468786	/nfs/dbraw/zinc/46/87/86/922468786.db2.gz	RWNQPFKLYNCMHR-RTWAWAEBSA-N	1	0	372.513	1.658	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)CC1	ZINC001066216772	922609201	/nfs/dbraw/zinc/60/92/01/922609201.db2.gz	FKKFOVLFDKLXNV-LNLFQRSKSA-N	1	0	365.518	1.807	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)CC1	ZINC001066217539	922610780	/nfs/dbraw/zinc/61/07/80/922610780.db2.gz	NPXHCQYPQYMMDH-LNLFQRSKSA-N	1	0	365.518	1.807	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CCN3c2ccncc2C#N)CC[N@@H+]1C	ZINC001066201758	922620863	/nfs/dbraw/zinc/62/08/63/922620863.db2.gz	GNQLHVMRVVEMBX-SKWUIDRYSA-N	1	0	353.470	1.863	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+][C@@]1(CO)CCCN(Cc2ccccc2)C1	ZINC000734000572	922779787	/nfs/dbraw/zinc/77/97/87/922779787.db2.gz	RFWBDAYOACKMLY-NRFANRHFSA-N	1	0	357.498	1.804	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cn2nccn2)c1	ZINC001085211966	922794666	/nfs/dbraw/zinc/79/46/66/922794666.db2.gz	ASKXFGDZBRCMRI-IAGOWNOFSA-N	1	0	356.405	1.506	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1c(C)noc1C	ZINC001085229668	922982002	/nfs/dbraw/zinc/98/20/02/922982002.db2.gz	DQKZVMKYPLOTQI-QRVBRYPASA-N	1	0	358.486	1.906	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cn(C)nc1C	ZINC001085229832	922983658	/nfs/dbraw/zinc/98/36/58/922983658.db2.gz	MMISNBZETNEGLL-QRVBRYPASA-N	1	0	357.502	1.343	20	30		FDEDRO
CN1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)C1=O	ZINC001085237444	923032648	/nfs/dbraw/zinc/03/26/48/923032648.db2.gz	XYMIUNPZMBADRC-KFKAGJAMSA-N	1	0	368.481	1.944	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cn[nH]c(=O)c2)cc1	ZINC001085235058	923051386	/nfs/dbraw/zinc/05/13/86/923051386.db2.gz	BFVLLOPXDOIADQ-IAGOWNOFSA-N	1	0	351.410	1.885	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC2(C1)CS(=O)(=O)C2	ZINC001085243071	923125948	/nfs/dbraw/zinc/12/59/48/923125948.db2.gz	UDZHMVROELUNIP-ZIAGYGMSSA-N	1	0	360.907	1.581	20	30		FDEDRO
N#Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCNC2=O)ccc1F	ZINC001085296272	923658564	/nfs/dbraw/zinc/65/85/64/923658564.db2.gz	WPEYBWZHJXINGP-USXIJHARSA-N	1	0	358.417	1.350	20	30		FDEDRO
CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC001085300730	923666559	/nfs/dbraw/zinc/66/65/59/923666559.db2.gz	FVWJWWSKYIALKF-KURKYZTESA-N	1	0	354.454	1.696	20	30		FDEDRO
C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)CCC(=O)NC1	ZINC001085305509	923705848	/nfs/dbraw/zinc/70/58/48/923705848.db2.gz	ZLNROSIROGHIDS-DBXWQHBBSA-N	1	0	368.481	1.992	20	30		FDEDRO
CCOCCC[N@@H+]1CCC(=NNC(=S)NC[C@@H]2CCCO2)[C@@H](C)C1	ZINC000735227459	924135623	/nfs/dbraw/zinc/13/56/23/924135623.db2.gz	CODAOSRXEVHUSH-GJZGRUSLSA-N	1	0	356.536	1.754	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1cnn(C)c1	ZINC001085360743	924221977	/nfs/dbraw/zinc/22/19/77/924221977.db2.gz	ZBTLPTKIWIQSDC-MANSERQUSA-N	1	0	360.502	1.961	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)C2(C)CCOCC2)C1=O	ZINC001085364457	924246160	/nfs/dbraw/zinc/24/61/60/924246160.db2.gz	DPKGEULUUGLBKE-ZACQAIPSSA-N	1	0	363.502	1.607	20	30		FDEDRO
C[NH+](C)CCNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	ZINC000735585670	924434596	/nfs/dbraw/zinc/43/45/96/924434596.db2.gz	LNZLTBVLCYKZHK-GOSISDBHSA-N	1	0	350.422	1.958	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCNC(=O)CC2)nc1	ZINC001085398474	924448084	/nfs/dbraw/zinc/44/80/84/924448084.db2.gz	IVUBUCFEGQAGFK-KZNAEPCWSA-N	1	0	368.481	1.610	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCCN(C)C2=O)nc1	ZINC001085398463	924448296	/nfs/dbraw/zinc/44/82/96/924448296.db2.gz	IMRSBKSQXVHIJD-NUJGCVRESA-N	1	0	354.454	1.314	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCC2)nc1	ZINC001085398414	924448319	/nfs/dbraw/zinc/44/83/19/924448319.db2.gz	GOXVGONWWUJYAR-IAGOWNOFSA-N	1	0	354.454	1.316	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2c(C)nnn2CC)nc1	ZINC001085398433	924448656	/nfs/dbraw/zinc/44/86/56/924448656.db2.gz	HEMRCDGLNCWQDU-IAGOWNOFSA-N	1	0	366.469	1.814	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCNC(=O)CC2)cn1	ZINC001085399055	924451162	/nfs/dbraw/zinc/45/11/62/924451162.db2.gz	NWPMXPFWGXZSGM-KFKAGJAMSA-N	1	0	368.481	1.610	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnn3cc[nH]c23)C1=O	ZINC001085406314	924483183	/nfs/dbraw/zinc/48/31/83/924483183.db2.gz	ZHZXLZKAVNVEQV-OAGGEKHMSA-N	1	0	370.457	1.080	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC(=O)NC1=O	ZINC001085406408	924484820	/nfs/dbraw/zinc/48/48/20/924484820.db2.gz	DRGLLKRJKWETJU-KURKYZTESA-N	1	0	367.449	1.033	20	30		FDEDRO
Cn1nc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)s2)ccc1=O	ZINC001085414778	924544833	/nfs/dbraw/zinc/54/48/33/924544833.db2.gz	MZXMAUCJJOARFL-HUUCEWRRSA-N	1	0	371.466	1.544	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cn2cncn2)c1	ZINC001085415377	924546477	/nfs/dbraw/zinc/54/64/77/924546477.db2.gz	RVYJCBQUTYBWJJ-IAGOWNOFSA-N	1	0	356.405	1.506	20	30		FDEDRO
N#CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cn2cncn2)cc1	ZINC001085414418	924559589	/nfs/dbraw/zinc/55/95/89/924559589.db2.gz	TWIXNNDCBNVDDG-QZTJIDSGSA-N	1	0	368.441	1.398	20	30		FDEDRO
C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000735939668	924685575	/nfs/dbraw/zinc/68/55/75/924685575.db2.gz	RIGSPQLVXWNRPN-INIZCTEOSA-N	1	0	359.426	1.454	20	30		FDEDRO
CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1	ZINC000735968307	924709517	/nfs/dbraw/zinc/70/95/17/924709517.db2.gz	QEJJDOHLNXYEFT-HNNXBMFYSA-N	1	0	373.453	1.858	20	30		FDEDRO
C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1	ZINC001085817923	925248764	/nfs/dbraw/zinc/24/87/64/925248764.db2.gz	LSIVTQJDPVEPKD-OKZBNKHCSA-N	1	0	363.502	1.655	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)C[C@@H](NC(N)=O)c2cccc(C)c2)CC1	ZINC000740737869	925421733	/nfs/dbraw/zinc/42/17/33/925421733.db2.gz	MALFWKUQCUSIRJ-GOSISDBHSA-N	1	0	356.470	1.698	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1F	ZINC000741723122	925831207	/nfs/dbraw/zinc/83/12/07/925831207.db2.gz	UGTDIMWGYXAFAN-OCCSQVGLSA-N	1	0	369.462	1.503	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(C#N)c2)C1	ZINC001006285367	926059788	/nfs/dbraw/zinc/05/97/88/926059788.db2.gz	AFGYESVMLNDXKZ-DXEWXGHRSA-N	1	0	355.442	1.090	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CC1SC(=N)NC1=O	ZINC000742592437	926095551	/nfs/dbraw/zinc/09/55/51/926095551.db2.gz	BZAAVFDWHFTMTN-AWEZNQCLSA-N	1	0	359.455	1.005	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)N2CCCCC2)C1	ZINC001086202918	926289689	/nfs/dbraw/zinc/28/96/89/926289689.db2.gz	XCFKHPJXTRIOSD-AVEIZBFRSA-N	1	0	363.502	1.463	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NCC[N@H+]2CC[C@H](C)C2)ccc1F	ZINC000744798615	926888519	/nfs/dbraw/zinc/88/85/19/926888519.db2.gz	LTEDREIOWMODQY-ZDUSSCGKSA-N	1	0	369.462	1.362	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)C1=O	ZINC001086435326	927242636	/nfs/dbraw/zinc/24/26/36/927242636.db2.gz	KPZANQNFHRGMAG-FGTAOJJYSA-N	1	0	361.486	1.073	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2	ZINC001006308436	927265025	/nfs/dbraw/zinc/26/50/25/927265025.db2.gz	UKDBQGVOHJDVAE-PIKADFDJSA-N	1	0	368.481	1.812	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cnc(OC)nc2C)C1	ZINC001086480858	927516931	/nfs/dbraw/zinc/51/69/31/927516931.db2.gz	BXPLJRNBSIVHOX-DZUCGIPZSA-N	1	0	360.458	1.369	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ncnn2CC(F)F)C1	ZINC001086480999	927517194	/nfs/dbraw/zinc/51/71/94/927517194.db2.gz	JCPDCLWHFZVIIB-SYQHCUMBSA-N	1	0	369.416	1.119	20	30		FDEDRO
N#Cc1ccc(NCCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nc1	ZINC000746121254	927625292	/nfs/dbraw/zinc/62/52/92/927625292.db2.gz	IWHKFCFQQAIXEE-HXUWFJFHSA-N	1	0	365.437	1.118	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)c2nncn2C)C1	ZINC001086500539	927663331	/nfs/dbraw/zinc/66/33/31/927663331.db2.gz	HCCRYHOZTMAARJ-WOYTXXSLSA-N	1	0	361.490	1.732	20	30		FDEDRO
O=C(CCNC(=O)C1N=CC=CC1=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1	ZINC000746297453	927741862	/nfs/dbraw/zinc/74/18/62/927741862.db2.gz	YCSWVIKQYGJRSC-VALQDXLZSA-N	1	0	372.469	1.378	20	30		FDEDRO
CN(c1ccccc1C=Nn1c(=O)cn[nH]c1=S)C1CC[NH+](C)CC1	ZINC000766474226	928072005	/nfs/dbraw/zinc/07/20/05/928072005.db2.gz	LNROVHHCMAGGTQ-UHFFFAOYSA-N	1	0	358.471	1.340	20	30		FDEDRO
C[C@H]1C(NNc2ccc(-n3ccnc3)n[nH+]2)=CC(=O)N1C(=O)OC(C)(C)C	ZINC000766478424	928092097	/nfs/dbraw/zinc/09/20/97/928092097.db2.gz	QAQWORURTGFKMO-NSHDSACASA-N	1	0	371.401	1.986	20	30		FDEDRO
CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H](O)CC2(C#N)CCC2)cc1	ZINC001168801520	928108648	/nfs/dbraw/zinc/10/86/48/928108648.db2.gz	SEDNMRPFRSVLBC-DZGCQCFKSA-N	1	0	351.472	1.690	20	30		FDEDRO
N#Cc1c[nH]c2nc(Cl)nc(-n3nnc(-c4cccc(C[NH3+])c4)n3)c12	ZINC001168878748	928159258	/nfs/dbraw/zinc/15/92/58/928159258.db2.gz	ZNWMABWZMYHTNZ-UHFFFAOYSA-N	1	0	351.761	1.584	20	30		FDEDRO
C#C[C@H](C)N(C)CN1C(=O)N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O	ZINC000766664940	928462072	/nfs/dbraw/zinc/46/20/72/928462072.db2.gz	RNLNPPSMHPACEB-OXJNMPFZSA-N	1	0	354.454	1.484	20	30		FDEDRO
C=CCN1C(=O)CCC12CC[NH+]([C@@H]1CC[C@H](C(=O)OCC)OC1)CC2	ZINC001169386206	928527427	/nfs/dbraw/zinc/52/74/27/928527427.db2.gz	LJKLMKUWDGNOCR-HZPDHXFCSA-N	1	0	350.459	1.740	20	30		FDEDRO
C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H]1CC[C@H](C(=O)OCC)OC1)C2	ZINC001169389494	928532985	/nfs/dbraw/zinc/53/29/85/928532985.db2.gz	FAXPTGCNUMOAPM-SFNKJDCFSA-N	1	0	353.459	1.923	20	30		FDEDRO
NC(=O)c1ccc(C(=[NH2+])N[C@H]2CCCN(C(=O)c3ccccc3)C2)cc1	ZINC001169744836	928881345	/nfs/dbraw/zinc/88/13/45/928881345.db2.gz	IYOOGHOYABBHDV-KRWDZBQOSA-N	1	0	350.422	1.796	20	30		FDEDRO
C=CCCC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CCCO[C@H]3C=C)CC2=O)C1	ZINC001108545544	928905392	/nfs/dbraw/zinc/90/53/92/928905392.db2.gz	YAXQVYMUAFELGG-NXHRZFHOSA-N	1	0	361.486	1.335	20	30		FDEDRO
C=CC[C@@H](Nc1ccc(S(=O)(=O)C2CC[NH2+]CC2)cc1)C(=O)OC	ZINC001169840554	928925777	/nfs/dbraw/zinc/92/57/77/928925777.db2.gz	BOJOGRKUFQZETC-MRXNPFEDSA-N	1	0	352.456	1.742	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCCC(C)C)C2)C1	ZINC001108577781	928947500	/nfs/dbraw/zinc/94/75/00/928947500.db2.gz	PEIFZEUIDAYCDD-NXHRZFHOSA-N	1	0	363.502	1.415	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1	ZINC000804345603	929047806	/nfs/dbraw/zinc/04/78/06/929047806.db2.gz	PKZUYMTVDBIJNH-NRFANRHFSA-N	1	0	368.525	1.360	20	30		FDEDRO
O=C(NCC[NH2+]Cc1cncc(Br)c1)C1N=CC=CC1=O	ZINC000767181351	929156891	/nfs/dbraw/zinc/15/68/91/929156891.db2.gz	KZJUHDLOPGOHKM-YPKPFQOOSA-N	1	0	351.204	1.460	20	30		FDEDRO
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccncc1OC(C)C)C2	ZINC001109548937	929732266	/nfs/dbraw/zinc/73/22/66/929732266.db2.gz	AYENBPXFZIGYOM-PVAVHDDUSA-N	1	0	372.469	1.506	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2	ZINC001109655004	930033353	/nfs/dbraw/zinc/03/33/53/930033353.db2.gz	DRHMJDWMCSILGZ-SQNIBIBYSA-N	1	0	362.518	1.250	20	30		FDEDRO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O	ZINC000770804100	930266335	/nfs/dbraw/zinc/26/63/35/930266335.db2.gz	AQGHCQSDAPQJIK-CABCVRRESA-N	1	0	363.458	1.516	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH]c(=O)c1=O)C2	ZINC001109849442	930589946	/nfs/dbraw/zinc/58/99/46/930589946.db2.gz	SBHFYAXQWRSDFS-FZKCQIBNSA-N	1	0	360.458	1.003	20	30		FDEDRO
CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C)S(=O)(=O)CC)C2	ZINC001109909862	930738645	/nfs/dbraw/zinc/73/86/45/930738645.db2.gz	QUOVINKRMIGPPO-IKGGRYGDSA-N	1	0	373.563	1.960	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCc1nncn1C)C2	ZINC001112554899	931524706	/nfs/dbraw/zinc/52/47/06/931524706.db2.gz	ONZCEJPGFLGGRX-LPHOPBHVSA-N	1	0	361.490	1.516	20	30		FDEDRO
C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnn(C(C)C)c1)C2	ZINC001112561921	931590683	/nfs/dbraw/zinc/59/06/83/931590683.db2.gz	YVCQFVQWKDIKNF-PXNSSMCTSA-N	1	0	371.485	1.045	20	30		FDEDRO
CC(C)C[C@H](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1	ZINC001112562354	931593404	/nfs/dbraw/zinc/59/34/04/931593404.db2.gz	TVCMZTAMPONXJB-ZWOKBUDYSA-N	1	0	362.518	1.917	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@@H](C)C(=O)NC)C2)nc1	ZINC001112565884	931615307	/nfs/dbraw/zinc/61/53/07/931615307.db2.gz	XLEXWQGKAPFTKG-UVFQYZLESA-N	1	0	354.454	1.029	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@]1(C)CCS(=O)(=O)N1)C2	ZINC001112569674	931662554	/nfs/dbraw/zinc/66/25/54/931662554.db2.gz	KJEFVOHTOMOAAF-JQHSSLGASA-N	1	0	369.531	1.253	20	30		FDEDRO
CCc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)cc1	ZINC001112572656	931670265	/nfs/dbraw/zinc/67/02/65/931670265.db2.gz	KITGUZAHTKMZOO-RXVVDRJESA-N	1	0	368.481	1.721	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccccc1-n1cnnn1)C2	ZINC001112577068	931690007	/nfs/dbraw/zinc/69/00/07/931690007.db2.gz	YNQWHNJBNZBALI-JXFKEZNVSA-N	1	0	364.453	1.518	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@H]1NC(=O)NC1=O)C2	ZINC001112575383	931703520	/nfs/dbraw/zinc/70/35/20/931703520.db2.gz	GKPGMPBNVPYCMH-KHYOSLBOSA-N	1	0	362.474	1.159	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCN1CCCC1=O)C2	ZINC001112580476	931726866	/nfs/dbraw/zinc/72/68/66/931726866.db2.gz	PPIUYALRHDQTHY-YJBOKZPZSA-N	1	0	353.894	1.970	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1COCCN1C(C)=O)C2	ZINC001112581777	931745877	/nfs/dbraw/zinc/74/58/77/931745877.db2.gz	NAUBOHRCXNGJBA-JZXOWHBKSA-N	1	0	369.893	1.205	20	30		FDEDRO
C[C@H](OC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)N(C)CCC#N	ZINC000786096348	931747544	/nfs/dbraw/zinc/74/75/44/931747544.db2.gz	MNQBMVGLJIURHT-HNNXBMFYSA-N	1	0	351.447	1.325	20	30		FDEDRO
C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCNC(=O)c1cnccn1)C2	ZINC001112581906	931747722	/nfs/dbraw/zinc/74/77/22/931747722.db2.gz	AAYGWVSCQIZODD-JXFKEZNVSA-N	1	0	371.485	1.391	20	30		FDEDRO
C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C1CC1)N1CCOCC1)C2	ZINC001112582868	931750849	/nfs/dbraw/zinc/75/08/49/931750849.db2.gz	SFPBVFIYSRJXPD-ZVDOUQERSA-N	1	0	359.514	1.339	20	30		FDEDRO
O=C(CC#Cc1ccccc1)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCNC2=O)C1	ZINC001112583310	931754242	/nfs/dbraw/zinc/75/42/42/931754242.db2.gz	NMWZEJKLJRLENV-IPJJNNNSSA-N	1	0	365.477	1.535	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH+]1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000786112391	931756578	/nfs/dbraw/zinc/75/65/78/931756578.db2.gz	HTGPXJRNXWVYOQ-MRXNPFEDSA-N	1	0	357.454	1.763	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCCN(C)C2=O)C1	ZINC001112588788	931798185	/nfs/dbraw/zinc/79/81/85/931798185.db2.gz	UQOMYEZTMJCRHW-ZWOKBUDYSA-N	1	0	363.502	1.418	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCOC)C1	ZINC001112589459	931807063	/nfs/dbraw/zinc/80/70/63/931807063.db2.gz	AIIGWHZVCHFGTM-LNLFQRSKSA-N	1	0	354.491	1.459	20	30		FDEDRO
Cc1cc(N2CCC(CO)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c(C#N)cn1	ZINC001112680465	932184554	/nfs/dbraw/zinc/18/45/54/932184554.db2.gz	HWZGHOMGEQFOHM-NVXWUHKLSA-N	1	0	371.485	1.049	20	30		FDEDRO
N#CCc1ncc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)cn1	ZINC001170074572	932313303	/nfs/dbraw/zinc/31/33/03/932313303.db2.gz	RTLOPEYNXRATDW-UHFFFAOYSA-N	1	0	368.422	1.245	20	30		FDEDRO
N#Cc1c(F)cncc1N(CC[NH3+])S(=O)(=O)c1cccc2cnccc21	ZINC001170074632	932314169	/nfs/dbraw/zinc/31/41/69/932314169.db2.gz	UGRXRLWRVLMSPI-UHFFFAOYSA-N	1	0	371.397	1.795	20	30		FDEDRO
CC[NH+](CC)CC#C[C@H](C)OC(=O)Cc1ccccc1S(C)(=O)=O	ZINC000788203168	932599973	/nfs/dbraw/zinc/59/99/73/932599973.db2.gz	NXQIBZAXYFHFKA-HNNXBMFYSA-N	1	0	351.468	1.910	20	30		FDEDRO
CCCCCC[N@H+](C)CC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1	ZINC000788263087	932620528	/nfs/dbraw/zinc/62/05/28/932620528.db2.gz	QHHQIRJDFOHULZ-UHFFFAOYSA-N	1	0	360.506	1.761	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[NH+](CCCCCn2cncn2)CC1	ZINC001112864487	932651077	/nfs/dbraw/zinc/65/10/77/932651077.db2.gz	MIRSLLRYCKNXDP-MSOLQXFVSA-N	1	0	361.490	1.574	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001112866030	932669281	/nfs/dbraw/zinc/66/92/81/932669281.db2.gz	MLQZHHGZDLOUMJ-KZNAEPCWSA-N	1	0	364.534	1.284	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)cc1	ZINC000788474340	932709099	/nfs/dbraw/zinc/70/90/99/932709099.db2.gz	YDQOLAWOWSENIZ-SJLPKXTDSA-N	1	0	356.426	1.467	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)n1	ZINC000788849194	932837758	/nfs/dbraw/zinc/83/77/58/932837758.db2.gz	FYEOXZSABHSMRG-SFHVURJKSA-N	1	0	361.490	1.405	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NC2CC[NH+](CCC)CC2)n1	ZINC000789041060	932922205	/nfs/dbraw/zinc/92/22/05/932922205.db2.gz	NHTFPGIYAUEUHL-UHFFFAOYSA-N	1	0	361.490	1.549	20	30		FDEDRO
C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)n1	ZINC000789251634	932967552	/nfs/dbraw/zinc/96/75/52/932967552.db2.gz	YRZTXAYXGNBJAW-LJQANCHMSA-N	1	0	373.501	1.691	20	30		FDEDRO
Cc1cc(N2C[C@@H](O)[C@H](NC(=O)CCCC[NH+]3CCCC3)C2)c(C#N)cn1	ZINC001090447300	933119524	/nfs/dbraw/zinc/11/95/24/933119524.db2.gz	WSTHQJNIKIBXPK-IEBWSBKVSA-N	1	0	371.485	1.194	20	30		FDEDRO
C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1	ZINC001113134037	933211685	/nfs/dbraw/zinc/21/16/85/933211685.db2.gz	OOKITPAHCAHWAI-QRVBRYPASA-N	1	0	365.518	1.365	20	30		FDEDRO
CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1	ZINC001110093145	933988866	/nfs/dbraw/zinc/98/88/66/933988866.db2.gz	MJPBADLXFRVCNT-SQNIBIBYSA-N	1	0	368.481	1.942	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CCC(=O)N2C)C1	ZINC001086602467	934154011	/nfs/dbraw/zinc/15/40/11/934154011.db2.gz	ATRBAXZOKJOVSW-GBESFXJTSA-N	1	0	353.466	1.605	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1	ZINC001086603171	934207644	/nfs/dbraw/zinc/20/76/44/934207644.db2.gz	KYGPHJWSHBVLBU-RCCFBDPRSA-N	1	0	356.470	1.560	20	30		FDEDRO
C=C(Br)CNC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](CC)CC	ZINC000793844477	934287458	/nfs/dbraw/zinc/28/74/58/934287458.db2.gz	NQSHIHMPIWQOSF-LBPRGKRZSA-N	1	0	372.263	1.804	20	30		FDEDRO
CCC[NH+]1CCC(CNC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)CC1	ZINC000793822214	934296193	/nfs/dbraw/zinc/29/61/93/934296193.db2.gz	AQXYBRSRWXBDCE-UHFFFAOYSA-N	1	0	372.469	1.421	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](CC)CC)[C@@H]1CCCO1	ZINC000793847956	938323809	/nfs/dbraw/zinc/32/38/09/938323809.db2.gz	PYQJICHRFHZZBJ-JYJNAYRXSA-N	1	0	361.442	1.076	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnc(OC)nc2)C1	ZINC001086618016	938328827	/nfs/dbraw/zinc/32/88/27/938328827.db2.gz	MWIPMYYUMJTRCS-ZWKOTPCHSA-N	1	0	350.422	1.706	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N(CC)C3CC3)C[C@H]21	ZINC001114298668	938395681	/nfs/dbraw/zinc/39/56/81/938395681.db2.gz	PCQOCBPGKOATCT-GJGATLCTSA-N	1	0	361.486	1.025	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2[nH]cnc2CC)[C@@H](n2ccnn2)C1	ZINC001129407487	938405532	/nfs/dbraw/zinc/40/55/32/938405532.db2.gz	OQKQPPPIOSDUTP-IMJJTQAJSA-N	1	0	357.462	1.574	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H](NC(=O)CCc2ccccc2Cl)[C@@H](n2ccnn2)C1	ZINC001129418354	938410291	/nfs/dbraw/zinc/41/02/91/938410291.db2.gz	UPNIAORAOQRPRY-MSOLQXFVSA-N	1	0	371.872	1.929	20	30		FDEDRO
C=C(C)CN1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](n2ccnn2)C1	ZINC001129438692	938425642	/nfs/dbraw/zinc/42/56/42/938425642.db2.gz	ZLBPFKYYVAODBD-MSOLQXFVSA-N	1	0	360.506	1.462	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H](NC(=O)COc2ccc(OC)cc2)[C@@H](n2ccnn2)C1	ZINC001129438545	938425681	/nfs/dbraw/zinc/42/56/81/938425681.db2.gz	WPQFOAQTOKLHKB-MSOLQXFVSA-N	1	0	371.441	1.283	20	30		FDEDRO
C=CCC[N@@H+]1C[C@@H](NC(=O)CCOCc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129441266	938426721	/nfs/dbraw/zinc/42/67/21/938426721.db2.gz	PDPXSEHOTQYPFY-MOPGFXCFSA-N	1	0	369.469	1.803	20	30		FDEDRO
C=C(C)CN1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1	ZINC001129460377	938435839	/nfs/dbraw/zinc/43/58/39/938435839.db2.gz	LLCRBXWIAZTUFP-FGTMMUONSA-N	1	0	360.506	1.316	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1	ZINC001086622971	938446246	/nfs/dbraw/zinc/44/62/46/938446246.db2.gz	CZINDXJVCNFZCM-DLBZAZTESA-N	1	0	370.453	1.041	20	30		FDEDRO
O=C(C1CCCC1)N1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001129525283	938450952	/nfs/dbraw/zinc/45/09/52/938450952.db2.gz	IMVNJSPTOPGAPN-UXHICEINSA-N	1	0	363.465	1.862	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cccc(C)n2)C[C@@H]1n1ccnn1	ZINC001129582698	938459087	/nfs/dbraw/zinc/45/90/87/938459087.db2.gz	NHNKXYZACCNCCC-QGTPRVQTSA-N	1	0	354.458	1.992	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(CC)n[nH]2)C[C@@H]1n1ccnn1	ZINC001129598375	938461710	/nfs/dbraw/zinc/46/17/10/938461710.db2.gz	ITYFWONUNJLJOK-XKQJLSEDSA-N	1	0	357.462	1.574	20	30		FDEDRO
CCC(CC)C[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@@H]1n1ccnn1	ZINC001129603709	938462894	/nfs/dbraw/zinc/46/28/94/938462894.db2.gz	HIUFRRPCQXJNFH-CABCVRRESA-N	1	0	350.492	1.313	20	30		FDEDRO
C=CCCCCC[NH2+][C@@H]1CN(C(=O)COCC2CC2)C[C@@H]1n1ccnn1	ZINC001129624435	938472033	/nfs/dbraw/zinc/47/20/33/938472033.db2.gz	KXTOYIRHHHZANK-MSOLQXFVSA-N	1	0	361.490	1.793	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc(C)cn2)C[C@@H]1n1ccnn1	ZINC001129638034	938475928	/nfs/dbraw/zinc/47/59/28/938475928.db2.gz	OPTOJUQNVVKAFP-ZACQAIPSSA-N	1	0	357.462	1.179	20	30		FDEDRO
C=CCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)s2)[C@@H](n2ccnn2)C1	ZINC001129667524	938478887	/nfs/dbraw/zinc/47/88/87/938478887.db2.gz	XPCXICVIUFLVNF-CVEARBPZSA-N	1	0	356.455	1.719	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H]([NH2+]C[C@H](CC)OC)[C@@H](n2ccnn2)C1	ZINC001129733344	938496468	/nfs/dbraw/zinc/49/64/68/938496468.db2.gz	RPUIAKSESVUEJO-BBWFWOEESA-N	1	0	365.478	1.027	20	30		FDEDRO
CC/C=C\CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1n1ccnn1	ZINC001129761863	938503092	/nfs/dbraw/zinc/50/30/92/938503092.db2.gz	BDSWHKTXXGXBEU-DSLCMKTCSA-N	1	0	353.430	1.489	20	30		FDEDRO
C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccnc2C(N)=O)C1	ZINC001086625064	938509510	/nfs/dbraw/zinc/50/95/10/938509510.db2.gz	ITWODRMLPPPOPP-ZWKOTPCHSA-N	1	0	362.433	1.402	20	30		FDEDRO
C#CCNc1nc(NCCC2CC(O)C2)[nH+]c(NCCC2CC(O)C2)n1	ZINC000804651859	938512346	/nfs/dbraw/zinc/51/23/46/938512346.db2.gz	RMELJOBLGMIRAK-UHFFFAOYSA-N	1	0	360.462	1.063	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2c(C)coc2C)C[C@@H]1n1ccnn1	ZINC001129803559	938517153	/nfs/dbraw/zinc/51/71/53/938517153.db2.gz	QUFYZJWMACSGTM-CVEARBPZSA-N	1	0	359.430	1.346	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)CC2(C)CCCC2)C[C@@H]1n1ccnn1	ZINC001129807260	938517871	/nfs/dbraw/zinc/51/78/71/938517871.db2.gz	GQKPOJQHBMWHLP-SJORKVTESA-N	1	0	359.474	1.240	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H]([NH2+][C@H]2CCc3ccccc32)[C@@H](n2ccnn2)C1	ZINC001129822069	938521960	/nfs/dbraw/zinc/52/19/60/938521960.db2.gz	DGEJOSNNQQSNHO-ZCNNSNEGSA-N	1	0	363.465	1.967	20	30		FDEDRO
COc1ccc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@@H]2n2ccnn2)cc1	ZINC001129824945	938522693	/nfs/dbraw/zinc/52/26/93/938522693.db2.gz	HLMSQNVKCFQXJO-MOPGFXCFSA-N	1	0	367.453	1.488	20	30		FDEDRO
CC(C)(C)C#CC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCOC2)[C@@H](n2ccnn2)C1	ZINC001129825121	938522954	/nfs/dbraw/zinc/52/29/54/938522954.db2.gz	MGPCCVFYDZYYKQ-BBWFWOEESA-N	1	0	359.474	1.096	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cn(C(C)(C)C)nc2C)C[C@@H]1n1ccnn1	ZINC001129829902	938523949	/nfs/dbraw/zinc/52/39/49/938523949.db2.gz	PAIIDNOIRGEBAA-SJORKVTESA-N	1	0	369.473	1.217	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC/C=C/CC)[C@@H](n2ccnn2)C1	ZINC001129855291	938528269	/nfs/dbraw/zinc/52/82/69/938528269.db2.gz	IJDASJZXWDRKPW-UXKDMOBESA-N	1	0	373.501	1.957	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc3c2CCCC3)C[C@@H]1n1ccnn1	ZINC001129864418	938532312	/nfs/dbraw/zinc/53/23/12/938532312.db2.gz	ZCCHVVFUARZTRZ-UXHICEINSA-N	1	0	363.465	1.836	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC3(CC3)C2)C[C@@H]1n1ccnn1	ZINC001129837861	938535086	/nfs/dbraw/zinc/53/50/86/938535086.db2.gz	NKSTYRXQAFUUQZ-KSZLIROESA-N	1	0	371.485	1.240	20	30		FDEDRO
C=CCCOCCCCC(=O)N1C[C@@H]([NH2+]CC#CC)[C@@H](n2ccnn2)C1	ZINC001129838312	938535252	/nfs/dbraw/zinc/53/52/52/938535252.db2.gz	UTMKJGJZVZRRGH-MSOLQXFVSA-N	1	0	359.474	1.406	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2cc(C3CC3)no2)C[C@@H]1n1ccnn1	ZINC001129890568	938541413	/nfs/dbraw/zinc/54/14/13/938541413.db2.gz	OFSSWBGAERPFDA-SJORKVTESA-N	1	0	356.430	1.304	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccnn2C(C)C)C[C@@H]1n1ccnn1	ZINC001129867292	938543928	/nfs/dbraw/zinc/54/39/28/938543928.db2.gz	PYJWZXFZCZIXPN-WBVHZDCISA-N	1	0	357.462	1.677	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnc3[nH]cnc3c2)C[C@@H]1n1ccnn1	ZINC001129874490	938545690	/nfs/dbraw/zinc/54/56/90/938545690.db2.gz	IMDVLWORRITELN-CVEARBPZSA-N	1	0	366.429	1.171	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)c(F)cc2F)C[C@@H]1n1ccnn1	ZINC001129904677	938547945	/nfs/dbraw/zinc/54/79/45/938547945.db2.gz	JPPJZGHWZCFLOH-SJORKVTESA-N	1	0	359.380	1.543	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccsc2)C[C@@H]1n1ccnn1	ZINC001129915116	938553103	/nfs/dbraw/zinc/55/31/03/938553103.db2.gz	ZYVUMXVGFQKWOW-HZMVEIRTSA-N	1	0	355.467	1.508	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H]([NH2+]CC[C@@H](C)F)[C@@H](n2ccnn2)C1	ZINC001129894520	938555701	/nfs/dbraw/zinc/55/57/01/938555701.db2.gz	IORLNIQHAPHPNX-INMHGKMJSA-N	1	0	360.437	1.669	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2onc3c2CCCC3)C[C@@H]1n1ccnn1	ZINC001129934174	938563125	/nfs/dbraw/zinc/56/31/25/938563125.db2.gz	SKCISHZUXCLRTC-SJORKVTESA-N	1	0	370.457	1.766	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn(C(C)(C)C)c2)C[C@@H]1n1ccnn1	ZINC001129918916	938567520	/nfs/dbraw/zinc/56/75/20/938567520.db2.gz	LWWNWJZNJRJRGN-CVEARBPZSA-N	1	0	357.462	1.461	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)c2c(C)n[nH]c2C)C[C@@H]1n1ccnn1	ZINC001129921014	938568330	/nfs/dbraw/zinc/56/83/30/938568330.db2.gz	KSIKCUZWTUUYSB-XYPHTWIQSA-N	1	0	369.473	1.177	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cn2nc(C)cc2C)C[C@@H]1n1ccnn1	ZINC001129926942	938571389	/nfs/dbraw/zinc/57/13/89/938571389.db2.gz	IZMWJMZSJCBCTN-SJORKVTESA-N	1	0	357.462	1.099	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2COc3ccccc3C2)C[C@@H]1n1ccnn1	ZINC001129927287	938571633	/nfs/dbraw/zinc/57/16/33/938571633.db2.gz	UGDHUTDGBYVIOA-KSZLIROESA-N	1	0	367.453	1.447	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2COc3ccccc3C2)C[C@@H]1n1ccnn1	ZINC001129927288	938571729	/nfs/dbraw/zinc/57/17/29/938571729.db2.gz	UGDHUTDGBYVIOA-KURKYZTESA-N	1	0	367.453	1.447	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(F)ccc2OC)C[C@@H]1n1ccnn1	ZINC001129949078	938573912	/nfs/dbraw/zinc/57/39/12/938573912.db2.gz	NWZANOQSZQLGFS-CVEARBPZSA-N	1	0	357.389	1.104	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H]([NH2+]CCC(C)C)[C@@H](n2ccnn2)C1	ZINC001129954192	938575888	/nfs/dbraw/zinc/57/58/88/938575888.db2.gz	BIKSJCNWUKXMSY-ZIFCJYIRSA-N	1	0	363.506	1.895	20	30		FDEDRO
C=CC(C)(C)C(=O)N1C[C@@H]([NH2+]C[C@@H](OCC)C2CC2)[C@@H](n2ccnn2)C1	ZINC001129959106	938577999	/nfs/dbraw/zinc/57/79/99/938577999.db2.gz	HLFUPTQCPVGTRW-IXDOHACOSA-N	1	0	361.490	1.647	20	30		FDEDRO
C#CCCCCCC(=O)N1C[C@@H]([NH2+]C[C@H](CC)OC)[C@@H](n2ccnn2)C1	ZINC001129963846	938579222	/nfs/dbraw/zinc/57/92/22/938579222.db2.gz	IFTFPZVCMXHMRF-KSZLIROESA-N	1	0	361.490	1.628	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)C(C)(C)C)C[C@@H]1n1ccnn1	ZINC001129963710	938579263	/nfs/dbraw/zinc/57/92/63/938579263.db2.gz	BGVFWKGXLODVIZ-CVEARBPZSA-N	1	0	361.490	1.342	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2ccc(C)n2)C[C@@H]1n1ccnn1	ZINC001129963905	938579564	/nfs/dbraw/zinc/57/95/64/938579564.db2.gz	LMHCULMFYSKWRW-KURKYZTESA-N	1	0	371.489	1.742	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C[C@@H]1n1ccnn1	ZINC001129943442	938580086	/nfs/dbraw/zinc/58/00/86/938580086.db2.gz	ZXVBNJWBJMWSPD-OYNZLANYSA-N	1	0	359.474	1.258	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCC2(F)F)C[C@@H]1n1ccnn1	ZINC001129945821	938581153	/nfs/dbraw/zinc/58/11/53/938581153.db2.gz	XPQSCIBRYPOWIV-KFWWJZLASA-N	1	0	351.401	1.468	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H]([NH2+]Cc2cncn2C)[C@@H](n2ccnn2)C1	ZINC001129978029	938593453	/nfs/dbraw/zinc/59/34/53/938593453.db2.gz	OKRASFULHQSDTP-OIISXLGYSA-N	1	0	357.462	1.156	20	30		FDEDRO
C=C[C@H](CC)CC(=O)N1C[C@@H]([NH2+]CCc2cnn(C)c2)[C@@H](n2ccnn2)C1	ZINC001129978205	938594083	/nfs/dbraw/zinc/59/40/83/938594083.db2.gz	VMZJBWXYTZWPCD-NXHRZFHOSA-N	1	0	371.489	1.198	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCOc2ccc(F)cc2)C[C@@H]1n1ccnn1	ZINC001129988503	938611549	/nfs/dbraw/zinc/61/15/49/938611549.db2.gz	WAFQWRMBHDTIPN-MSOLQXFVSA-N	1	0	371.416	1.251	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(CC)cn2)C[C@@H]1n1ccnn1	ZINC001130014434	938615477	/nfs/dbraw/zinc/61/54/77/938615477.db2.gz	MCXQHYQAJKBLQF-MOPGFXCFSA-N	1	0	368.485	1.786	20	30		FDEDRO
C=CCC(C)(C)C(=O)N1C[C@@H]([NH2+]CCOCC(C)C)[C@@H](n2ccnn2)C1	ZINC001130023251	938621756	/nfs/dbraw/zinc/62/17/56/938621756.db2.gz	YHXWWRCKDODGOU-SJORKVTESA-N	1	0	363.506	1.895	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2ccccc2F)C[C@@H]1n1ccnn1	ZINC001130005653	938622721	/nfs/dbraw/zinc/62/27/21/938622721.db2.gz	BGYUZPUHVYOVDX-LZQZEXGQSA-N	1	0	369.444	1.661	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ocnc2C(F)F)C[C@@H]1n1ccnn1	ZINC001130008073	938625305	/nfs/dbraw/zinc/62/53/05/938625305.db2.gz	WPZIMTSTXJMXSD-MNOVXSKESA-N	1	0	352.345	1.435	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCCn2ccnc2C)C[C@@H]1n1ccnn1	ZINC001130040730	938627247	/nfs/dbraw/zinc/62/72/47/938627247.db2.gz	JEEVEQUNHWPQQK-SJORKVTESA-N	1	0	357.462	1.181	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cn(CC)nc2C)C[C@@H]1n1ccnn1	ZINC001130024616	938628830	/nfs/dbraw/zinc/62/88/30/938628830.db2.gz	YZEQNWJCYXOGHS-SJORKVTESA-N	1	0	357.462	1.424	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)CCn2ccnc2C(C)C)C[C@@H]1n1ccnn1	ZINC001130028263	938630513	/nfs/dbraw/zinc/63/05/13/938630513.db2.gz	NGADMOPLQZAUPX-SJORKVTESA-N	1	0	371.489	1.606	20	30		FDEDRO
CCCCCCC[NH2+][C@@H]1CN(C(=O)c2nc(C)c[nH]2)C[C@@H]1n1ccnn1	ZINC001130034375	938634662	/nfs/dbraw/zinc/63/46/62/938634662.db2.gz	NJZYLEABTSBYJB-CVEARBPZSA-N	1	0	359.478	1.935	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCn2cccc2)C[C@@H]1n1ccnn1	ZINC001130056974	938641235	/nfs/dbraw/zinc/64/12/35/938641235.db2.gz	CICMCWSAXCEOMQ-KURKYZTESA-N	1	0	356.474	1.866	20	30		FDEDRO
C=C(Br)CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C	ZINC000805002057	938644975	/nfs/dbraw/zinc/64/49/75/938644975.db2.gz	QWEOAYXYUBRHNE-YHWZYXNKSA-N	1	0	373.295	1.278	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCc3ccccc32)C[C@@H]1n1ccnn1	ZINC001130047037	938645922	/nfs/dbraw/zinc/64/59/22/938645922.db2.gz	SNVRKXQKKIRHQM-RLLQIKCJSA-N	1	0	363.465	1.763	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc3nccnc32)C[C@@H]1n1ccnn1	ZINC001130059496	938648647	/nfs/dbraw/zinc/64/86/47/938648647.db2.gz	NTUAEHACUBMREX-SJORKVTESA-N	1	0	363.425	1.453	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cn(C(C)C)nn2)C[C@@H]1n1ccnn1	ZINC001130062678	938650636	/nfs/dbraw/zinc/65/06/36/938650636.db2.gz	QZRFDQNBEIIYDL-ZBFHGGJFSA-N	1	0	358.450	1.072	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCCOC2)C[C@@H]1n1ccnn1	ZINC001130062806	938651362	/nfs/dbraw/zinc/65/13/62/938651362.db2.gz	YCZNTGSMVBQEKM-KSZLIROESA-N	1	0	361.490	1.793	20	30		FDEDRO
C#CCCCS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1	ZINC000805047840	938651513	/nfs/dbraw/zinc/65/15/13/938651513.db2.gz	DDLKAGWLUBSFQG-RBUKOAKNSA-N	1	0	369.575	1.999	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2cnccn2)C[C@@H]1n1ccnn1	ZINC001130071276	938657963	/nfs/dbraw/zinc/65/79/63/938657963.db2.gz	LFVSNKZWMBOLFJ-SJORKVTESA-N	1	0	355.446	1.009	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3c(C)cccn3c2)C[C@@H]1n1ccnn1	ZINC001130081338	938662489	/nfs/dbraw/zinc/66/24/89/938662489.db2.gz	JSGCLZYRULJKNR-MJGOQNOKSA-N	1	0	362.437	1.518	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)cc2OC)C[C@@H]1n1ccnn1	ZINC001130095047	938679742	/nfs/dbraw/zinc/67/97/42/938679742.db2.gz	YLVMZIJQOJFKQE-SJORKVTESA-N	1	0	353.426	1.274	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CC(C)(C)CO2)C[C@@H]1n1ccnn1	ZINC001130102157	938684195	/nfs/dbraw/zinc/68/41/95/938684195.db2.gz	KDLIFBMCWYRGPK-ZACQAIPSSA-N	1	0	359.474	1.238	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H]([NH2+]CC[C@H](C)F)[C@@H](n2ccnn2)C1	ZINC001130109553	938688342	/nfs/dbraw/zinc/68/83/42/938688342.db2.gz	AOFAKWGSOWIPIT-IPELMVKDSA-N	1	0	369.444	1.592	20	30		FDEDRO
C=CCC1(C(=O)N2C[C@@H]([NH2+]CCCC)[C@@H](n3ccnn3)C2)CCOCC1	ZINC001130109807	938688646	/nfs/dbraw/zinc/68/86/46/938688646.db2.gz	IPDAOLKXQYAYDB-SJORKVTESA-N	1	0	361.490	1.793	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)CCc2ccccc2OC)C[C@@H]1n1ccnn1	ZINC001130112756	938692644	/nfs/dbraw/zinc/69/26/44/938692644.db2.gz	PWJLCWVLYPNFRS-MSOLQXFVSA-N	1	0	367.453	1.284	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)COc2ccc(C)cc2)C[C@@H]1n1ccnn1	ZINC001130112776	938692715	/nfs/dbraw/zinc/69/27/15/938692715.db2.gz	QWMJYKNAVGGUBK-MOPGFXCFSA-N	1	0	369.469	1.973	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(F)c3occc32)C[C@@H]1n1ccnn1	ZINC001130127999	938697981	/nfs/dbraw/zinc/69/79/81/938697981.db2.gz	SOSYMNGHIWSXQA-SJORKVTESA-N	1	0	367.384	1.842	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ccccc2OCCOC)C[C@@H]1n1ccnn1	ZINC001130129384	938698641	/nfs/dbraw/zinc/69/86/41/938698641.db2.gz	FOLPMYBMQBRXPK-SJORKVTESA-N	1	0	371.441	1.145	20	30		FDEDRO
CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@@H]1n1ccnn1	ZINC001130133760	938708340	/nfs/dbraw/zinc/70/83/40/938708340.db2.gz	BUECUGWJOOWEOX-QRQLOZEOSA-N	1	0	367.453	1.096	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccc(C)nc2C)C[C@@H]1n1ccnn1	ZINC001130133786	938708474	/nfs/dbraw/zinc/70/84/74/938708474.db2.gz	CUJCRMWEZPCLMP-MSOLQXFVSA-N	1	0	370.457	1.148	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H]([NH2+]Cc2ccccc2)[C@@H](n2ccnn2)C1	ZINC001130148574	938722746	/nfs/dbraw/zinc/72/27/46/938722746.db2.gz	WVOBZRCCSPHLKC-MSOLQXFVSA-N	1	0	355.442	1.413	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=C(C)C2CC2)[nH]1	ZINC001130186795	938732698	/nfs/dbraw/zinc/73/26/98/938732698.db2.gz	LUGTUBQVPINCDZ-UKVVFRCISA-N	1	0	359.474	1.815	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)CSC)[nH]1	ZINC001130193039	938737459	/nfs/dbraw/zinc/73/74/59/938737459.db2.gz	GGFJJSJDJKYAKM-IHRRRGAJSA-N	1	0	367.519	1.458	20	30		FDEDRO
CC/C=C\CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)C#N)[nH]1	ZINC001130203205	938744927	/nfs/dbraw/zinc/74/49/27/938744927.db2.gz	SXQHULSSHWQXDQ-BXHRYTIMSA-N	1	0	360.462	1.399	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2[nH]ccc2C)[nH]1	ZINC001130207904	938747324	/nfs/dbraw/zinc/74/73/24/938747324.db2.gz	VPPYLDIGFGOBGG-KBPBESRZSA-N	1	0	358.446	1.409	20	30		FDEDRO
CC[C@H](C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C#CC(C)C)[nH]1	ZINC001130209593	938747590	/nfs/dbraw/zinc/74/75/90/938747590.db2.gz	GUCZPYPRBAQXBG-JYJNAYRXSA-N	1	0	361.490	1.589	20	30		FDEDRO
CCCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C#CC2CC2)[nH]1	ZINC001130212831	938749654	/nfs/dbraw/zinc/74/96/54/938749654.db2.gz	GHTGWVJRCBPYQE-HOTGVXAUSA-N	1	0	359.474	1.487	20	30		FDEDRO
C=C(C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C[C@@H](C)OC)[nH]1	ZINC001130216201	938752604	/nfs/dbraw/zinc/75/26/04/938752604.db2.gz	QNGVHSNMYDGZHB-ILXRZTDVSA-N	1	0	365.478	1.274	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCc2cccnc2)[nH]1	ZINC001130223147	938757139	/nfs/dbraw/zinc/75/71/39/938757139.db2.gz	OFJTYOIKWUWTBA-HOTGVXAUSA-N	1	0	370.457	1.097	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)CC(F)F)n1	ZINC001130225075	938759250	/nfs/dbraw/zinc/75/92/50/938759250.db2.gz	RDFXRJNAWRSNER-AGIUHOORSA-N	1	0	369.416	1.198	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2occc2C(C)C)n1	ZINC001130230128	938763599	/nfs/dbraw/zinc/76/35/99/938763599.db2.gz	NHUPAWXRHAPJHN-GJZGRUSLSA-N	1	0	371.441	1.546	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](CC(C)C)OC)[nH]1	ZINC001130232454	938764950	/nfs/dbraw/zinc/76/49/50/938764950.db2.gz	IDLGNXHMIUYRRZ-KKUMJFAQSA-N	1	0	365.478	1.130	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2CC(C)C)[nH]1	ZINC001130237821	938767222	/nfs/dbraw/zinc/76/72/22/938767222.db2.gz	FZJFSLQIAFCHKW-TWMKSMIVSA-N	1	0	373.501	1.589	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCC(C)(C)C2)[nH]1	ZINC001130240656	938768868	/nfs/dbraw/zinc/76/88/68/938768868.db2.gz	XZUVUNNNRDYQFL-KKUMJFAQSA-N	1	0	361.490	1.895	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)c2ccc(C)o2)n1	ZINC001130242459	938769856	/nfs/dbraw/zinc/76/98/56/938769856.db2.gz	YEFQRVYEHQTYAF-DZKIICNBSA-N	1	0	371.441	1.221	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCCCSCC#N)CC1=O	ZINC000805542185	938770357	/nfs/dbraw/zinc/77/03/57/938770357.db2.gz	IOWGRKTVNHWTLM-HUUCEWRRSA-N	1	0	353.488	1.509	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2ccc(C)nc2)[nH]1	ZINC001130249255	938773589	/nfs/dbraw/zinc/77/35/89/938773589.db2.gz	SWGXHGPIIWUPFR-HOTGVXAUSA-N	1	0	370.457	1.015	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cccc(C)c2C)n1	ZINC001130249158	938773745	/nfs/dbraw/zinc/77/37/45/938773745.db2.gz	MTEFADDLKMKZFR-IRXDYDNUSA-N	1	0	367.453	1.447	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H](C)C(C)(C)C)n1	ZINC001130251159	938774268	/nfs/dbraw/zinc/77/42/68/938774268.db2.gz	FQFXNDNRNFLTLQ-KKUMJFAQSA-N	1	0	361.490	1.589	20	30		FDEDRO
C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COCCCC)CC1	ZINC001130282775	938780072	/nfs/dbraw/zinc/78/00/72/938780072.db2.gz	ZPJFEXDJVUCYTK-XLIONFOSSA-N	1	0	365.518	1.855	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@@H](C)SC)CC1	ZINC001130282384	938780101	/nfs/dbraw/zinc/78/01/01/938780101.db2.gz	UHADOKMUJJTIII-SIIHOXLZSA-N	1	0	351.516	1.237	20	30		FDEDRO
COCC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C=C(C)C)CC1	ZINC001130271742	938785691	/nfs/dbraw/zinc/78/56/91/938785691.db2.gz	QGEBSLPVISJPEJ-XLIONFOSSA-N	1	0	361.486	1.078	20	30		FDEDRO
C#CCCCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC#CC)CC1	ZINC001130285385	938790145	/nfs/dbraw/zinc/79/01/45/938790145.db2.gz	GVEHJRXWMQCMQR-NQIIRXRSSA-N	1	0	357.498	1.679	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](CC)OC)CC1	ZINC001130286157	938791195	/nfs/dbraw/zinc/79/11/95/938791195.db2.gz	ZOAHTSZOOQOUOP-RYRKJORJSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC2(OC)CCC2)CC1	ZINC001130287780	938792443	/nfs/dbraw/zinc/79/24/43/938792443.db2.gz	DFOGJBYBFIWJOW-APWZRJJASA-N	1	0	363.502	1.607	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC(C)(C)O)CC1	ZINC001130288859	938793821	/nfs/dbraw/zinc/79/38/21/938793821.db2.gz	YLUGWSQFOCEPDL-QAPCUYQASA-N	1	0	351.491	1.199	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC(=C)C)CC1	ZINC001130290855	938795371	/nfs/dbraw/zinc/79/53/71/938795371.db2.gz	OFRVBHAURWSCHP-XLIONFOSSA-N	1	0	361.486	1.078	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCC(F)F)CC1	ZINC001130293031	938796349	/nfs/dbraw/zinc/79/63/49/938796349.db2.gz	JJTDNZCYWMNRTI-KDOFPFPSSA-N	1	0	355.429	1.530	20	30		FDEDRO
C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2cncnc2)CC1	ZINC001130292787	938796477	/nfs/dbraw/zinc/79/64/77/938796477.db2.gz	BLZUZPBIGDXWBX-XLIONFOSSA-N	1	0	371.485	1.071	20	30		FDEDRO
CC#CCCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCOC)CC1	ZINC001130295681	938798023	/nfs/dbraw/zinc/79/80/23/938798023.db2.gz	NKNZDDVFZXMFCF-XLIONFOSSA-N	1	0	363.502	1.302	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCOC)CC1	ZINC001130299087	938799294	/nfs/dbraw/zinc/79/92/94/938799294.db2.gz	WPYWMHKYIMNBAQ-VPWXQRGCSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCOC)CC1	ZINC001130298985	938799341	/nfs/dbraw/zinc/79/93/41/938799341.db2.gz	QCBKURLMOBEANN-XLIONFOSSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CCCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@@H](C)O)CC1	ZINC001130299117	938799548	/nfs/dbraw/zinc/79/95/48/938799548.db2.gz	XWPDFUOJDFERBU-OGWOLHLISA-N	1	0	351.491	1.199	20	30		FDEDRO
C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2(C(F)(F)F)CC2)CC1	ZINC001130302393	938800867	/nfs/dbraw/zinc/80/08/67/938800867.db2.gz	YEXVAEPQNQRAQK-HIFRSBDPSA-N	1	0	371.403	1.438	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1	ZINC001130305101	938803230	/nfs/dbraw/zinc/80/32/30/938803230.db2.gz	JMALEKAXDBRHFL-WBVHZDCISA-N	1	0	351.491	1.056	20	30		FDEDRO
C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)CCOC)CC1	ZINC001130306850	938804541	/nfs/dbraw/zinc/80/45/41/938804541.db2.gz	AQMHPOUDNXMBOC-SUMDDJOVSA-N	1	0	365.518	1.711	20	30		FDEDRO
CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)CCOC)CC1	ZINC001130307710	938805798	/nfs/dbraw/zinc/80/57/98/938805798.db2.gz	ZUYRDCZUASPSGH-SUMDDJOVSA-N	1	0	363.502	1.158	20	30		FDEDRO
C=CC[C@H](NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)c1ccncc1	ZINC000805811219	938830851	/nfs/dbraw/zinc/83/08/51/938830851.db2.gz	NWQFPXZZNWWSJT-SFHVURJKSA-N	1	0	356.470	1.806	20	30		FDEDRO
N#Cc1ccc(F)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)C2=COCCO2)C1	ZINC001086635446	938840677	/nfs/dbraw/zinc/84/06/77/938840677.db2.gz	OMDWEWSAGQFYBG-SUMWQHHRSA-N	1	0	359.401	1.960	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnc(C)cn2)C[C@H]1c1cn(C)cn1	ZINC001130482787	938877204	/nfs/dbraw/zinc/87/72/04/938877204.db2.gz	CTYGLEDUTDTADK-MAUKXSAKSA-N	1	0	354.458	1.683	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1c1cn(C)cn1	ZINC001130485627	938878367	/nfs/dbraw/zinc/87/83/67/938878367.db2.gz	JEUDBRQWJXQVBB-YQQAZPJKSA-N	1	0	360.458	1.547	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)n2cccn2)C[C@H]1c1cn(C)cn1	ZINC001130509921	938888970	/nfs/dbraw/zinc/88/89/70/938888970.db2.gz	WNMHQKMKJWSRGI-SOLBZPMBSA-N	1	0	356.474	1.728	20	30		FDEDRO
Cc1ncsc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1c1cn(C)cn1	ZINC001130583856	939884176	/nfs/dbraw/zinc/88/41/76/939884176.db2.gz	VTDNMQIIBGLZEH-DOTOQJQBSA-N	1	0	371.510	1.929	20	30		FDEDRO
C#CCOCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccccc2)C1	ZINC001130587672	939888738	/nfs/dbraw/zinc/88/87/38/939888738.db2.gz	WPHVKMRHYPTZAD-AZUAARDMSA-N	1	0	366.465	1.544	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@@H](C)c2cnccn2)C1	ZINC001130578632	939891645	/nfs/dbraw/zinc/89/16/45/939891645.db2.gz	WUVXQSUQRXVEQL-TXPKVOOTSA-N	1	0	366.469	1.659	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCOC(C)C)C1	ZINC001130580714	939893719	/nfs/dbraw/zinc/89/37/19/939893719.db2.gz	MVGMYEKDJDOFDS-PKOBYXMFSA-N	1	0	360.502	1.923	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(F)cncc2F)C[C@H]1c1cn(C)cn1	ZINC001130600863	939895703	/nfs/dbraw/zinc/89/57/03/939895703.db2.gz	PASNMTRWNZJITO-BLLLJJGKSA-N	1	0	359.380	1.314	20	30		FDEDRO
Cc1cc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2c2cn(C)cn2)sn1	ZINC001130590517	939897731	/nfs/dbraw/zinc/89/77/31/939897731.db2.gz	UINMTAUCUTZQMW-FUHWJXTLSA-N	1	0	371.510	1.929	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccccc2)C1	ZINC001130592724	939899633	/nfs/dbraw/zinc/89/96/33/939899633.db2.gz	BRAATDGNDFODFD-XKGZKEIXSA-N	1	0	366.465	1.543	20	30		FDEDRO
COCCCC[NH2+][C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1c1cn(C)cn1	ZINC001130594633	939901832	/nfs/dbraw/zinc/90/18/32/939901832.db2.gz	SDNQMFKYGXMBKO-FUHWJXTLSA-N	1	0	360.502	1.780	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2coc(C(C)(C)C)n2)C[C@H]1c1cn(C)cn1	ZINC001130594657	939901836	/nfs/dbraw/zinc/90/18/36/939901836.db2.gz	TXIBPTVOOCIHJC-GOEBONIOSA-N	1	0	369.469	1.927	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)NC(=O)CC)C[C@H]1c1cn(C)cn1	ZINC001130599394	939904930	/nfs/dbraw/zinc/90/49/30/939904930.db2.gz	RAWODMSTGDTDBE-HLLBOEOZSA-N	1	0	361.490	1.185	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCC(C)C)C1	ZINC001130610920	939908362	/nfs/dbraw/zinc/90/83/62/939908362.db2.gz	VHEUPUVFKBGGMY-SXLOBPIMSA-N	1	0	371.529	1.448	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2ncc(Cl)s2)C[C@H]1c1cn(C)cn1	ZINC001130626678	939924401	/nfs/dbraw/zinc/92/44/01/939924401.db2.gz	RMJOIIQFRMIQKW-WCQYABFASA-N	1	0	363.874	1.751	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)cncc2C)C[C@H]1c1cn(C)cn1	ZINC001130627175	939924574	/nfs/dbraw/zinc/92/45/74/939924574.db2.gz	YMHPXFXBKITJPT-FUHWJXTLSA-N	1	0	351.454	1.653	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)COCc2cc(C)on2)C[C@H]1c1cn(C)cn1	ZINC001130616906	939928256	/nfs/dbraw/zinc/92/82/56/939928256.db2.gz	INHIKSYLUNKDMV-DOTOQJQBSA-N	1	0	359.430	1.003	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2(C3CC3)CCOCC2)C[C@H]1c1cn(C)cn1	ZINC001130632975	939936454	/nfs/dbraw/zinc/93/64/54/939936454.db2.gz	XQSHJIBZURAZFB-PKOBYXMFSA-N	1	0	370.497	1.534	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC2CC2)C1	ZINC001130637772	939939906	/nfs/dbraw/zinc/93/99/06/939939906.db2.gz	LALNQIUPOHNWRA-ILZDJORESA-N	1	0	360.502	1.943	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH]ncc32)C[C@H]1c1cn(C)cn1	ZINC001130637916	939940187	/nfs/dbraw/zinc/94/01/87/939940187.db2.gz	RTANWLCZHZZWOQ-QFBILLFUSA-N	1	0	362.437	1.518	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)C2(c3cc(C)no3)CC2)C[C@H]1c1cn(C)cn1	ZINC001130649264	939944231	/nfs/dbraw/zinc/94/42/31/939944231.db2.gz	CQXQVCSZBWTOMH-DOTOQJQBSA-N	1	0	367.453	1.356	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc[nH]c2CCC)C[C@H]1c1cn(C)cn1	ZINC001130652264	939946451	/nfs/dbraw/zinc/94/64/51/939946451.db2.gz	MHWYLVVHKNPLDJ-QFBILLFUSA-N	1	0	353.470	1.922	20	30		FDEDRO
CC#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnc(C)o2)C1	ZINC001130644681	939952860	/nfs/dbraw/zinc/95/28/60/939952860.db2.gz	YONLMDOSCOYLTK-PKOBYXMFSA-N	1	0	369.469	1.994	20	30		FDEDRO
C#CCC(CC#C)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1	ZINC000806544214	939957998	/nfs/dbraw/zinc/95/79/98/939957998.db2.gz	YFKFYFBIYYOOIJ-UHFFFAOYSA-N	1	0	359.514	1.592	20	30		FDEDRO
C=C(C)C[C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnnn2C)C1	ZINC001130657025	939961178	/nfs/dbraw/zinc/96/11/78/939961178.db2.gz	VXVKYVKIBGYGQZ-QILLFSRXSA-N	1	0	371.489	1.235	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1c1cn(C)cn1	ZINC001130662103	939967465	/nfs/dbraw/zinc/96/74/65/939967465.db2.gz	KXDCSRCZFLOXSD-DVOMOZLQSA-N	1	0	360.437	1.835	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCC(=C)C)C1	ZINC001130680472	939968758	/nfs/dbraw/zinc/96/87/58/939968758.db2.gz	SANCDURXBXGMCB-JFRXWTBNSA-N	1	0	358.486	1.861	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)c2ccco2)C[C@H]1c1cn(C)cn1	ZINC001130671887	939970711	/nfs/dbraw/zinc/97/07/11/939970711.db2.gz	AOEHANDBOOQPJM-XYJFISCASA-N	1	0	370.453	1.351	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(F)F)n[nH]2)C[C@H]1c1cn(C)cn1	ZINC001130672078	939971099	/nfs/dbraw/zinc/97/10/99/939971099.db2.gz	FVNXPKBLSMUTJO-XHDPSFHLSA-N	1	0	364.400	1.855	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCCCC)C2)nn1	ZINC001130687529	939977175	/nfs/dbraw/zinc/97/71/75/939977175.db2.gz	FCZSCLQHSATCAO-DOTOQJQBSA-N	1	0	371.489	1.586	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC=C(C)C)C2)nn1	ZINC001130687742	939977458	/nfs/dbraw/zinc/97/74/58/939977458.db2.gz	ORYLGZBYUNIJOY-DOTOQJQBSA-N	1	0	369.473	1.362	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@H]1c1cn(C)cn1	ZINC001130682506	939982296	/nfs/dbraw/zinc/98/22/96/939982296.db2.gz	BVLPIXBEIDPGPR-PZJWPPBQSA-N	1	0	362.477	1.742	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(OC)c2F)C[C@H]1c1cn(C)cn1	ZINC001130701334	939996410	/nfs/dbraw/zinc/99/64/10/939996410.db2.gz	RGEPQNHXNKTTFI-DOTOQJQBSA-N	1	0	370.428	1.789	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)C2CC3(C2)CCOCC3)C[C@H]1c1cn(C)cn1	ZINC001130712980	940000282	/nfs/dbraw/zinc/00/02/82/940000282.db2.gz	WOXVRTQURFYHPS-PKOBYXMFSA-N	1	0	370.497	1.534	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3nc[nH]c3C2)C[C@H]1c1cn(C)cn1	ZINC001130708333	940014031	/nfs/dbraw/zinc/01/40/31/940014031.db2.gz	JSEOPUDQVDYSDE-YZVOILCLSA-N	1	0	368.485	1.408	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCc2c(C)noc2C)C[C@H]1c1cn(C)cn1	ZINC001130723136	940027583	/nfs/dbraw/zinc/02/75/83/940027583.db2.gz	CGJKBAHDEMJKBS-PKOBYXMFSA-N	1	0	369.469	1.565	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)Cc2csc(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130723552	940028582	/nfs/dbraw/zinc/02/85/82/940028582.db2.gz	QSTMEGSJHSETNR-DOTOQJQBSA-N	1	0	357.483	1.335	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1c1cn(C)cn1	ZINC001130726443	940031305	/nfs/dbraw/zinc/03/13/05/940031305.db2.gz	YKDFJJUDLBOINC-RVKKMQEKSA-N	1	0	356.474	1.706	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)CCCCCOCC)C[C@H]1c1cn(C)cn1	ZINC001130739723	940041433	/nfs/dbraw/zinc/04/14/33/940041433.db2.gz	LQFOQJUWNMSVEY-PKOBYXMFSA-N	1	0	360.502	1.924	20	30		FDEDRO
C=CC[C@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1)c1ccccc1	ZINC001130732022	940045715	/nfs/dbraw/zinc/04/57/15/940045715.db2.gz	WCNSZZICZJPYRE-CMKODMSKSA-N	1	0	368.481	1.656	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C=Cc3ccco3)n2)O1	ZINC001130746579	940051802	/nfs/dbraw/zinc/05/18/02/940051802.db2.gz	GECYWWZODMGZEW-LTSYXSSYSA-N	1	0	369.425	1.560	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccccn3)n2)O1	ZINC001130749666	940056394	/nfs/dbraw/zinc/05/63/94/940056394.db2.gz	LNXDFNKYYRCVOV-DZGCQCFKSA-N	1	0	356.430	1.516	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ncccc3C)n2)O1	ZINC001130774718	940091294	/nfs/dbraw/zinc/09/12/94/940091294.db2.gz	AFBYTGGNXBBXJW-LSDHHAIUSA-N	1	0	370.457	1.824	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)OCC3CC3)n2)O1	ZINC001130765331	940095531	/nfs/dbraw/zinc/09/55/31/940095531.db2.gz	NURHBMVKYYHQNX-VHDGCEQUSA-N	1	0	363.462	1.232	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](CC)OCC)n2)O1	ZINC001130765517	940096881	/nfs/dbraw/zinc/09/68/81/940096881.db2.gz	WGGFVEPSLCKNRA-RRFJBIMHSA-N	1	0	363.462	1.069	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccc(F)nc3)n2)O1	ZINC001130767227	940100809	/nfs/dbraw/zinc/10/08/09/940100809.db2.gz	DVIVVUBXKRMWQW-QWHCGFSZSA-N	1	0	360.393	1.265	20	30		FDEDRO
C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)COC)n2)O1	ZINC001130769389	940106606	/nfs/dbraw/zinc/10/66/06/940106606.db2.gz	HLZQUIBIFIYXHR-HZSPNIEDSA-N	1	0	351.451	1.089	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cscc3C)n2)O1	ZINC001130769824	940107583	/nfs/dbraw/zinc/10/75/83/940107583.db2.gz	PUXIVGHRTLSSGK-GXTWGEPZSA-N	1	0	359.455	1.548	20	30		FDEDRO
CC(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cc(C#N)c[nH]3)n2)O1	ZINC001130770269	940109135	/nfs/dbraw/zinc/10/91/35/940109135.db2.gz	ZGLRGWRVPJWTOA-DZGCQCFKSA-N	1	0	371.445	1.400	20	30		FDEDRO
C#CCCCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F	ZINC000806917512	940115974	/nfs/dbraw/zinc/11/59/74/940115974.db2.gz	LWGXOFRTDJITQQ-UHFFFAOYSA-N	1	0	351.397	1.385	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3ccncc3C)n2)O1	ZINC001130785006	940118887	/nfs/dbraw/zinc/11/88/87/940118887.db2.gz	AIFIFAJTAXOLFY-JKSUJKDBSA-N	1	0	370.457	1.363	20	30		FDEDRO
CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(C(F)F)CC3)n2)O1	ZINC001130785406	940120161	/nfs/dbraw/zinc/12/01/61/940120161.db2.gz	KVJVWGAMNWXNOT-NWDGAFQWSA-N	1	0	367.400	1.299	20	30		FDEDRO
C=C[C@@](C)(CCOC)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC)O2)n[nH]1	ZINC001130794496	940146420	/nfs/dbraw/zinc/14/64/20/940146420.db2.gz	WFBBGGULUIDSOG-IYOUNJFTSA-N	1	0	365.478	1.479	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](CCC)OCC)n2)O1	ZINC001130796088	940149880	/nfs/dbraw/zinc/14/98/80/940149880.db2.gz	HTRAETCPVAFFDP-ZNMIVQPWSA-N	1	0	365.478	1.622	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3cccn3CC=C)n2)O1	ZINC001130790124	940162422	/nfs/dbraw/zinc/16/24/22/940162422.db2.gz	IVNUBDQMKLYUGE-GOEBONIOSA-N	1	0	368.441	1.165	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3c(C)cncc3C)n2)O1	ZINC001130792380	940169983	/nfs/dbraw/zinc/16/99/83/940169983.db2.gz	AUGCMJTZVFAMMH-LSDHHAIUSA-N	1	0	368.441	1.189	20	30		FDEDRO
C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccsn3)n2)O1	ZINC001130792571	940171611	/nfs/dbraw/zinc/17/16/11/940171611.db2.gz	KUHFSYMXDAIUNM-WCQYABFASA-N	1	0	362.459	1.577	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccccc3CC)n2)O1	ZINC001130804754	940176356	/nfs/dbraw/zinc/17/63/56/940176356.db2.gz	NUTRCVHOLYKDSL-DOTOQJQBSA-N	1	0	367.453	1.740	20	30		FDEDRO
C#Cc1cncc(C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCC)O3)n[nH]2)c1	ZINC001130805189	940177671	/nfs/dbraw/zinc/17/76/71/940177671.db2.gz	XHJWSYQCGLIZMF-JKSUJKDBSA-N	1	0	368.441	1.331	20	30		FDEDRO
C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccnnc3)n2)O1	ZINC001130809122	940185562	/nfs/dbraw/zinc/18/55/62/940185562.db2.gz	IBWBIIIBCNIQRH-LSDHHAIUSA-N	1	0	371.445	1.301	20	30		FDEDRO
C=C1CC(C)(C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCOC)O3)n[nH]2)C1	ZINC001130809160	940186583	/nfs/dbraw/zinc/18/65/83/940186583.db2.gz	KDVZTTGKAKRTIU-UONOGXRCSA-N	1	0	363.462	1.233	20	30		FDEDRO
C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3ccn(C)c3C)n2)O1	ZINC001130802296	940196578	/nfs/dbraw/zinc/19/65/78/940196578.db2.gz	MTLGQTOFIOYUQA-DZGCQCFKSA-N	1	0	358.446	1.377	20	30		FDEDRO
C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)CC(C)(C)C)n2)O1	ZINC001130813838	940213256	/nfs/dbraw/zinc/21/32/56/940213256.db2.gz	ZIXKVHKIUDZVDK-SOUVJXGZSA-N	1	0	361.490	1.936	20	30		FDEDRO
C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)c3nccs3)n2)O1	ZINC001130813851	940213355	/nfs/dbraw/zinc/21/33/55/940213355.db2.gz	ZUXAHONCWDJSFV-NWDGAFQWSA-N	1	0	360.443	1.024	20	30		FDEDRO
C=CCCOCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC(=C)C)O2)n[nH]1	ZINC001130820410	940227900	/nfs/dbraw/zinc/22/79/00/940227900.db2.gz	WBWIUQBICQOEEH-LSDHHAIUSA-N	1	0	363.462	1.399	20	30		FDEDRO
C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1c1cncn1C	ZINC001130908447	940315209	/nfs/dbraw/zinc/31/52/09/940315209.db2.gz	HXTGQURGRKOZNM-IIAWOOMASA-N	1	0	370.457	1.468	20	30		FDEDRO
CCSCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CCOC)C1	ZINC001130921026	940331035	/nfs/dbraw/zinc/33/10/35/940331035.db2.gz	TWSRJPQSXGAHKB-HZPDHXFCSA-N	1	0	364.515	1.097	20	30		FDEDRO
C=CCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC2CC(C)(C)C2)C1	ZINC001130948358	940346538	/nfs/dbraw/zinc/34/65/38/940346538.db2.gz	HNXLXWNLLJSLRF-IAGOWNOFSA-N	1	0	360.502	1.943	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)c2n[nH]c(C)c2C)C[C@H]1c1cncn1C	ZINC001130943943	940354088	/nfs/dbraw/zinc/35/40/88/940354088.db2.gz	PQEPAZGKKJKMIV-HZPDHXFCSA-N	1	0	356.474	1.924	20	30		FDEDRO
C=CCOCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@@H](C)COC)C1	ZINC001130946109	940357259	/nfs/dbraw/zinc/35/72/59/940357259.db2.gz	KCAVWXHGIQTCGM-GVDBMIGSSA-N	1	0	364.490	1.322	20	30		FDEDRO
C#CCC[C@@H](O)CNC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1	ZINC000807469083	940367907	/nfs/dbraw/zinc/36/79/07/940367907.db2.gz	BYIWWQOPTFUVIE-QGZVFWFLSA-N	1	0	354.454	1.616	20	30		FDEDRO
C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCCC(=O)NC)C[C@H]1c1cncn1C	ZINC001130969102	940376857	/nfs/dbraw/zinc/37/68/57/940376857.db2.gz	PDMNYSWBJRRMSK-HZPDHXFCSA-N	1	0	361.490	1.187	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC[C@@H]2CCOC2)C1	ZINC001130971533	940380693	/nfs/dbraw/zinc/38/06/93/940380693.db2.gz	RSOOOKXXBVWVHO-KZNAEPCWSA-N	1	0	358.486	1.534	20	30		FDEDRO
C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOCCCC)C1	ZINC001130971562	940380711	/nfs/dbraw/zinc/38/07/11/940380711.db2.gz	SXDOOYSCXQLMMV-QZTJIDSGSA-N	1	0	360.502	1.924	20	30		FDEDRO
C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1c1cncn1C	ZINC001130964668	940386805	/nfs/dbraw/zinc/38/68/05/940386805.db2.gz	XHZWFYBRIGPPTF-NUEKZKHPSA-N	1	0	371.489	1.288	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(OC)ns2)C[C@H]1c1cncn1C	ZINC001130991349	940413571	/nfs/dbraw/zinc/41/35/71/940413571.db2.gz	FHHOYVJFODISNL-CHWSQXEVSA-N	1	0	359.455	1.106	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@@H](C)c2cnccn2)C1	ZINC001130991403	940414164	/nfs/dbraw/zinc/41/41/64/940414164.db2.gz	IHQCRCMWVFIFLY-LZLYRXPVSA-N	1	0	366.469	1.515	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(OC)ns2)C[C@H]1c1cncn1C	ZINC001130991707	940415220	/nfs/dbraw/zinc/41/52/20/940415220.db2.gz	ZJFSFAWGRPIOTG-CHWSQXEVSA-N	1	0	361.471	1.659	20	30		FDEDRO
CC(C)C#CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@H]2CCCOC2)C1	ZINC001130991699	940415225	/nfs/dbraw/zinc/41/52/25/940415225.db2.gz	YYMNYYUEBIVNPH-KZNAEPCWSA-N	1	0	358.486	1.390	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccnn2C2CCC2)C[C@H]1c1cncn1C	ZINC001130994375	940417280	/nfs/dbraw/zinc/41/72/80/940417280.db2.gz	XAQAFKYEJBILDH-IAGOWNOFSA-N	1	0	366.469	1.563	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCn2cccn2)C1	ZINC001131003917	940430203	/nfs/dbraw/zinc/43/02/03/940430203.db2.gz	UBHYQQQLCGLCEP-IAGOWNOFSA-N	1	0	370.501	1.803	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2ccnc3ccnn32)C[C@H]1c1cncn1C	ZINC001131007769	940434008	/nfs/dbraw/zinc/43/40/08/940434008.db2.gz	KJOPYSJZVOVMCY-HUUCEWRRSA-N	1	0	365.441	1.237	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)NC(=O)CC)C[C@H]1c1cncn1C	ZINC001130999030	940435783	/nfs/dbraw/zinc/43/57/83/940435783.db2.gz	HQUHCHBKBUTDJQ-ARFHVFGLSA-N	1	0	361.490	1.185	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2c(F)cncc2F)C[C@H]1c1cncn1C	ZINC001130999656	940436379	/nfs/dbraw/zinc/43/63/79/940436379.db2.gz	WUGQLGRVDLLLJC-IUODEOHRSA-N	1	0	359.380	1.314	20	30		FDEDRO
CCc1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC#CCOC)C2)o1	ZINC001131017950	940438965	/nfs/dbraw/zinc/43/89/65/940438965.db2.gz	UPUVEDUJPRQNLF-IAGOWNOFSA-N	1	0	370.453	1.423	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC=C(C)C)C1	ZINC001131010363	940441236	/nfs/dbraw/zinc/44/12/36/940441236.db2.gz	KLLCYKGAKGFVAL-QRVBRYPASA-N	1	0	369.513	1.368	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cn2cncc2C)C[C@H]1c1cncn1C	ZINC001131030898	940450518	/nfs/dbraw/zinc/45/05/18/940450518.db2.gz	DDUGSLJPJWWYKX-IAGOWNOFSA-N	1	0	356.474	1.475	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc(COC)c2)C[C@H]1c1cncn1C	ZINC001131025867	940459005	/nfs/dbraw/zinc/45/90/05/940459005.db2.gz	HDWXOAMRRILDDE-RTBURBONSA-N	1	0	366.465	1.788	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(Cl)cn2C)C[C@H]1c1cncn1C	ZINC001131025939	940459037	/nfs/dbraw/zinc/45/90/37/940459037.db2.gz	LHZBXQQXVHATNR-HUUCEWRRSA-N	1	0	359.861	1.633	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(OC)nc2)C[C@H]1c1cncn1C	ZINC001131025960	940459348	/nfs/dbraw/zinc/45/93/48/940459348.db2.gz	MBHZBUUEGLMPOI-HZPDHXFCSA-N	1	0	353.426	1.045	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C[C@H]1c1cncn1C	ZINC001131028786	940463316	/nfs/dbraw/zinc/46/33/16/940463316.db2.gz	JFIKWGOVZJYPMX-WJFTUGDTSA-N	1	0	370.497	1.390	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2ccc(=O)[nH]c2)C[C@H]1c1cncn1C	ZINC001131028799	940463367	/nfs/dbraw/zinc/46/33/67/940463367.db2.gz	JYQWVNHBLKUSAU-IAGOWNOFSA-N	1	0	369.469	1.614	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CN(C(=O)CCn2ccnc2)C[C@H]1c1cncn1C	ZINC001131038607	940467154	/nfs/dbraw/zinc/46/71/54/940467154.db2.gz	ZHPRZAACHRVJGZ-IAGOWNOFSA-N	1	0	356.474	1.557	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@@](C)(C=C)CCOC)C[C@H]1c1cncn1C	ZINC001131040000	940467896	/nfs/dbraw/zinc/46/78/96/940467896.db2.gz	GMLSDZUQGYZZHM-HLIPFELVSA-N	1	0	358.486	1.556	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)NC(=O)C(C)(C)C)C[C@H]1c1cncn1C	ZINC001131040054	940467929	/nfs/dbraw/zinc/46/79/29/940467929.db2.gz	JGNOJQUQGYWCAZ-RBSFLKMASA-N	1	0	361.490	1.041	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC2CC2)C1	ZINC001131040096	940468079	/nfs/dbraw/zinc/46/80/79/940468079.db2.gz	LNBVYMOBXBLWGE-MBOZVWFJSA-N	1	0	360.502	1.943	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)Cc2cncc(C)c2)C[C@H]1c1cncn1C	ZINC001131040507	940468513	/nfs/dbraw/zinc/46/85/13/940468513.db2.gz	XETZZUWTEPBUQN-QZTJIDSGSA-N	1	0	353.470	1.826	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCCO1	ZINC000807749307	940471225	/nfs/dbraw/zinc/47/12/25/940471225.db2.gz	SXECOOWQHNDDMW-OQIJWPOYSA-N	1	0	369.465	1.063	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ccsc2C)C[C@H]1c1cncn1C	ZINC001131083853	940488921	/nfs/dbraw/zinc/48/89/21/940488921.db2.gz	FFZPHTPMCNOXMZ-IAGOWNOFSA-N	1	0	356.495	1.940	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C)[nH]c2=O)C[C@H]1c1cncn1C	ZINC001131079426	940492278	/nfs/dbraw/zinc/49/22/78/940492278.db2.gz	LFDTVRYJBBXLCB-HZPDHXFCSA-N	1	0	353.426	1.050	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCC3(C[NH+](C)C3)C2)ccc1F	ZINC000807935141	940492565	/nfs/dbraw/zinc/49/25/65/940492565.db2.gz	MBGLUYMONYHKLL-UHFFFAOYSA-N	1	0	367.446	1.068	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CC)C1	ZINC001131086166	940493451	/nfs/dbraw/zinc/49/34/51/940493451.db2.gz	IGROZBVPAGYQNW-FAJBIJEISA-N	1	0	356.470	1.309	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(COC)on2)C[C@H]1c1cncn1C	ZINC001131086666	940493807	/nfs/dbraw/zinc/49/38/07/940493807.db2.gz	YXECERPJWFWKAC-GDBMZVCRSA-N	1	0	359.430	1.328	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)nn(CC)c2C)C[C@H]1c1cncn1C	ZINC001131089509	940494697	/nfs/dbraw/zinc/49/46/97/940494697.db2.gz	KRIICDMXINKVNN-IAGOWNOFSA-N	1	0	368.485	1.474	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2ccco2)C[C@H]1c1cncn1C	ZINC001131089523	940494789	/nfs/dbraw/zinc/49/47/89/940494789.db2.gz	LFRUJJBINJKTTD-KBAYOESNSA-N	1	0	354.454	1.799	20	30		FDEDRO
COc1ccc(CNC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc1C#N	ZINC000747435886	940497881	/nfs/dbraw/zinc/49/78/81/940497881.db2.gz	RMIYYDOOCNGCOC-QGZVFWFLSA-N	1	0	360.458	1.819	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(N(C)C)cc2)C[C@H]1c1cncn1C	ZINC001131113061	940499176	/nfs/dbraw/zinc/49/91/76/940499176.db2.gz	RUZSFWZHSINCJV-RTBURBONSA-N	1	0	365.481	1.707	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)CNC(=O)C(C)(C)C)C[C@H]1c1cncn1C	ZINC001131121295	940506741	/nfs/dbraw/zinc/50/67/41/940506741.db2.gz	QYSJMEAYGYSRHO-HUUCEWRRSA-N	1	0	361.490	1.043	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CN(C(=O)COc2ccccc2F)C[C@H]1c1cncn1C	ZINC001131124010	940507258	/nfs/dbraw/zinc/50/72/58/940507258.db2.gz	WZLFAWVIFJWNJC-NVXWUHKLSA-N	1	0	370.428	1.546	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCCC(C)C)C[C@H]1c1cncn1C	ZINC001131132784	940512614	/nfs/dbraw/zinc/51/26/14/940512614.db2.gz	RGLOBQMTLFENTN-RCCFBDPRSA-N	1	0	360.502	1.779	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C/C=C/Cl)C1	ZINC001131136428	940513495	/nfs/dbraw/zinc/51/34/95/940513495.db2.gz	MVZYVCFOBKODTO-XEVLESSRSA-N	1	0	352.866	1.649	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C2CCOCC2)C[C@H]1c1cncn1C	ZINC001131136688	940513674	/nfs/dbraw/zinc/51/36/74/940513674.db2.gz	ZGNLWMQRKBDGCC-CGTJXYLNSA-N	1	0	360.502	1.943	20	30		FDEDRO
C=CCCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOC(C)C)C1	ZINC001131136692	940513683	/nfs/dbraw/zinc/51/36/83/940513683.db2.gz	ZLAJIXBGQSSNFI-IAGOWNOFSA-N	1	0	364.490	1.322	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2nc3cc(C(=O)OC)ccc3[nH]2)CC1	ZINC000808265195	940536059	/nfs/dbraw/zinc/53/60/59/940536059.db2.gz	YYVKIPTXPJNICV-UHFFFAOYSA-N	1	0	354.410	1.311	20	30		FDEDRO
C#CCCS(=O)(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1	ZINC000808293447	940538622	/nfs/dbraw/zinc/53/86/22/940538622.db2.gz	YAGOOXMKRDVOOB-INIZCTEOSA-N	1	0	350.484	1.829	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](C(C)C)C[C@H]32)C1	ZINC001131304977	940548433	/nfs/dbraw/zinc/54/84/33/940548433.db2.gz	YZEDHKDVXCBNIR-BBWFWOEESA-N	1	0	365.474	1.484	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)F)CC1	ZINC001131408599	940565519	/nfs/dbraw/zinc/56/55/19/940565519.db2.gz	OGGGTMQPEQJRFU-BMFZPTHFSA-N	1	0	369.481	1.411	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(C)no2)CC1	ZINC001131418995	940568012	/nfs/dbraw/zinc/56/80/12/940568012.db2.gz	KPWBLZKLYRRSTN-AEFFLSMTSA-N	1	0	361.442	1.232	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCSC)CC1	ZINC001131418973	940568030	/nfs/dbraw/zinc/56/80/30/940568030.db2.gz	IYTTVPCCHMBYRG-AEFFLSMTSA-N	1	0	356.532	1.928	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCOC)CC1	ZINC001131439236	940587930	/nfs/dbraw/zinc/58/79/30/940587930.db2.gz	BAVGIGNRBCQMQA-MJGOQNOKSA-N	1	0	354.491	1.601	20	30		FDEDRO
CCn1cc(CC[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)cn1	ZINC001086668834	940595397	/nfs/dbraw/zinc/59/53/97/940595397.db2.gz	AMAKPWJJEHPVTR-WMLDXEAASA-N	1	0	354.458	1.834	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2=COCCC2)CC1	ZINC001131448956	940602877	/nfs/dbraw/zinc/60/28/77/940602877.db2.gz	YYGJLUQHGOCIHL-MOPGFXCFSA-N	1	0	362.470	1.316	20	30		FDEDRO
CC(C)OCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)C#N)CC1	ZINC001131451470	940605148	/nfs/dbraw/zinc/60/51/48/940605148.db2.gz	MLJYOFBSJZVFQU-JQHSSLGASA-N	1	0	351.491	1.947	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC2CCC2)CC1	ZINC001131458088	940612149	/nfs/dbraw/zinc/61/21/49/940612149.db2.gz	BARSJSGHEMSKDS-XLIONFOSSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCOC2)CC1	ZINC001131461128	940615783	/nfs/dbraw/zinc/61/57/83/940615783.db2.gz	FYADNLRXZXJWRP-OTWHNJEPSA-N	1	0	366.502	1.601	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn(C)cn2)CC1	ZINC001131470728	940626569	/nfs/dbraw/zinc/62/65/69/940626569.db2.gz	QERIUNVEKBLGQC-AEFFLSMTSA-N	1	0	362.474	1.222	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC2(F)F)CC1	ZINC001131493396	940643797	/nfs/dbraw/zinc/64/37/97/940643797.db2.gz	ABLNZDXMEDHXDQ-XHSDSOJGSA-N	1	0	358.429	1.830	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2ccn(CC)n2)CC1	ZINC001131500496	940651190	/nfs/dbraw/zinc/65/11/90/940651190.db2.gz	YOCWXIMBAVIIDW-QUCCMNQESA-N	1	0	358.486	1.455	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOC(C)C)CC1	ZINC001131502819	940653228	/nfs/dbraw/zinc/65/32/28/940653228.db2.gz	LNGWAVDTJZVWBX-QRQLOZEOSA-N	1	0	366.502	1.435	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(C3CC3)CC2)CC1	ZINC001131517104	940684335	/nfs/dbraw/zinc/68/43/35/940684335.db2.gz	KSRLVMQKOOHZSK-MOPGFXCFSA-N	1	0	360.498	1.812	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccn3nccc23)CC1	ZINC001131526149	940710758	/nfs/dbraw/zinc/71/07/58/940710758.db2.gz	BDEVWHNGQKEFTF-QUCCMNQESA-N	1	0	366.465	1.957	20	30		FDEDRO
N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCNC(=O)C3)C2)s1	ZINC001086670979	940716993	/nfs/dbraw/zinc/71/69/93/940716993.db2.gz	GGNHXOHDLGILQW-MELADBBJSA-N	1	0	360.483	1.520	20	30		FDEDRO
CC#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(=O)NC)CC1	ZINC001131546241	940722274	/nfs/dbraw/zinc/72/22/74/940722274.db2.gz	RTOJFFVSQLCJBN-SUMDDJOVSA-N	1	0	363.502	1.300	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc3nonc3c2)CC1	ZINC001131555488	940730583	/nfs/dbraw/zinc/73/05/83/940730583.db2.gz	IGSVAKCOIDWRJX-MJGOQNOKSA-N	1	0	368.437	1.845	20	30		FDEDRO
C=CCCC1(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(=O)NC)CC2)CC1	ZINC001131558348	940732910	/nfs/dbraw/zinc/73/29/10/940732910.db2.gz	WNYRFQADYMFWMD-AEFFLSMTSA-N	1	0	363.502	1.465	20	30		FDEDRO
C=C1CC(C)(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCOCCO)CC2)C1	ZINC001131560124	940734626	/nfs/dbraw/zinc/73/46/26/940734626.db2.gz	YKSQGAJCVHZVHZ-MSOLQXFVSA-N	1	0	366.502	1.337	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2cc(C)on2)CC1	ZINC001131561741	940735075	/nfs/dbraw/zinc/73/50/75/940735075.db2.gz	BPFIYMWGCVOADE-QUCCMNQESA-N	1	0	359.470	1.925	20	30		FDEDRO
C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@]2(C)CCNC2=O)CC1	ZINC001131561989	940735390	/nfs/dbraw/zinc/73/53/90/940735390.db2.gz	JEOXEBHDCVAOGQ-FUHIMQAGSA-N	1	0	363.502	1.465	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC#CC)CC2)c1	ZINC001131562024	940735749	/nfs/dbraw/zinc/73/57/49/940735749.db2.gz	KWYRQCOXGWJQEB-UXHICEINSA-N	1	0	351.450	1.686	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)Oc2cccnc2)CC1	ZINC001131562528	940736530	/nfs/dbraw/zinc/73/65/30/940736530.db2.gz	XGFWFOWFEREYNH-AHRSYUTCSA-N	1	0	371.481	1.858	20	30		FDEDRO
CC#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H](O)COC)CC1	ZINC001131547931	940737317	/nfs/dbraw/zinc/73/73/17/940737317.db2.gz	JXJJPBZENILQHR-GGPKGHCWSA-N	1	0	366.502	1.173	20	30		FDEDRO
COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)C(C)C)CC1	ZINC001131572125	940748549	/nfs/dbraw/zinc/74/85/49/940748549.db2.gz	DPXRHAJOKHGZGH-UHOSZYNNSA-N	1	0	350.503	1.914	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnc(C3CC3)nc2)CC1	ZINC001131574722	940751607	/nfs/dbraw/zinc/75/16/07/940751607.db2.gz	GWDVTMGAKFRVBD-MOPGFXCFSA-N	1	0	368.481	1.977	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)Oc2ccccn2)CC1	ZINC001131592923	940763965	/nfs/dbraw/zinc/76/39/65/940763965.db2.gz	COJKURBYAIWBLQ-POAQFYNOSA-N	1	0	371.481	1.858	20	30		FDEDRO
CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn3ccccc3n2)CC1	ZINC001131604718	940773583	/nfs/dbraw/zinc/77/35/83/940773583.db2.gz	DEDPWQHBEGBLLB-XLIONFOSSA-N	1	0	366.465	1.957	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)CC(C)(C)C)CC1	ZINC001131605011	940774627	/nfs/dbraw/zinc/77/46/27/940774627.db2.gz	SKOGDXMOGIGMSP-APWZRJJASA-N	1	0	365.518	1.711	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCN2CCCC2=O)CC1	ZINC001131604951	940774773	/nfs/dbraw/zinc/77/47/73/940774773.db2.gz	OZLQYYMMNGEWTK-XLIONFOSSA-N	1	0	361.486	1.008	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cncnc2CC)CC1	ZINC001131605072	940775088	/nfs/dbraw/zinc/77/50/88/940775088.db2.gz	VYPLSSWSUHLGMB-MOPGFXCFSA-N	1	0	356.470	1.662	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCN(C)C(C)=O)CC1	ZINC001131599774	940783123	/nfs/dbraw/zinc/78/31/23/940783123.db2.gz	LHTOMJFXJLFYGL-MJGOQNOKSA-N	1	0	351.491	1.417	20	30		FDEDRO
C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)OCCOCC)CC1	ZINC001131607137	940786623	/nfs/dbraw/zinc/78/66/23/940786623.db2.gz	ZCCZYCAUSXKCTM-UHOSZYNNSA-N	1	0	368.518	1.990	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)OCC=C)CC1	ZINC001131610254	940789994	/nfs/dbraw/zinc/78/99/94/940789994.db2.gz	IGKVCXCHKHVWGW-QRQLOZEOSA-N	1	0	366.502	1.766	20	30		FDEDRO
C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCC)CC1	ZINC001131610354	940790260	/nfs/dbraw/zinc/79/02/60/940790260.db2.gz	MOSFYXFVEYMPSM-JQHSSLGASA-N	1	0	354.491	1.600	20	30		FDEDRO
C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](CCCC)NC(N)=O)CC1	ZINC001131610513	940790383	/nfs/dbraw/zinc/79/03/83/940790383.db2.gz	UVVBXRUIDNOXHI-ZACQAIPSSA-N	1	0	366.506	1.385	20	30		FDEDRO
C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COC[C@H]2CCCO2)CC1	ZINC001131616126	940794167	/nfs/dbraw/zinc/79/41/67/940794167.db2.gz	KFWMGCVRFSKNJB-GGPKGHCWSA-N	1	0	364.486	1.191	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[C@]2(C)CCC(=O)N2)CC1	ZINC001131617717	940795130	/nfs/dbraw/zinc/79/51/30/940795130.db2.gz	WPRGCVGDPGSMNS-UXPWSPDFSA-N	1	0	361.486	1.054	20	30		FDEDRO
C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)C(CC)CC)CC1	ZINC001131621159	940796435	/nfs/dbraw/zinc/79/64/35/940796435.db2.gz	RMTQAZQYDKMDMW-MJGOQNOKSA-N	1	0	363.502	1.158	20	30		FDEDRO
Cn1nccc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1Cl	ZINC001131634479	940803796	/nfs/dbraw/zinc/80/37/96/940803796.db2.gz	SDEPVTQQGLIZOP-HZPDHXFCSA-N	1	0	356.857	1.935	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1C#N	ZINC000809504427	940845772	/nfs/dbraw/zinc/84/57/72/940845772.db2.gz	LKCRVAOHMDWPHZ-XJKSGUPXSA-N	1	0	358.442	1.124	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1C#N	ZINC000809504649	940846629	/nfs/dbraw/zinc/84/66/29/940846629.db2.gz	PDGYITANPYVWFM-QGZVFWFLSA-N	1	0	372.469	1.420	20	30		FDEDRO
COc1ccc(CNC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1C#N	ZINC000809504565	940846690	/nfs/dbraw/zinc/84/66/90/940846690.db2.gz	ZYISUFBJURXLLU-HUUCEWRRSA-N	1	0	372.469	1.420	20	30		FDEDRO
C#Cc1ccc(C[NH+]2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1	ZINC000809544608	940860134	/nfs/dbraw/zinc/86/01/34/940860134.db2.gz	OZTCENJEWMQQSU-UHFFFAOYSA-N	1	0	355.463	1.638	20	30		FDEDRO
C#C[C@@H](C)N(C)c1nnc(CN2CC[NH+](Cc3ccc(C)cc3)CC2)n1C	ZINC000809870064	940913759	/nfs/dbraw/zinc/91/37/59/940913759.db2.gz	FYZHWNCZFHXSIE-GOSISDBHSA-N	1	0	366.513	1.899	20	30		FDEDRO
C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1	ZINC000810071061	940945494	/nfs/dbraw/zinc/94/54/94/940945494.db2.gz	VSGVQWJNHMEWMP-NWDGAFQWSA-N	1	0	360.380	1.328	20	30		FDEDRO
COc1ncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)c(C)n1	ZINC001086676698	940949154	/nfs/dbraw/zinc/94/91/54/940949154.db2.gz	QMEPWBMMQPULJZ-XJKSGUPXSA-N	1	0	368.441	1.682	20	30		FDEDRO
N#Cc1ccc(NC(=O)CN2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cc1	ZINC000810070908	940951974	/nfs/dbraw/zinc/95/19/74/940951974.db2.gz	UDXCHZSACKLUOM-ZDUSSCGKSA-N	1	0	368.359	1.887	20	30		FDEDRO
COc1coc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)cc1=O	ZINC001086677373	940954841	/nfs/dbraw/zinc/95/48/41/940954841.db2.gz	SGSWGPVCNSFJTQ-GXTWGEPZSA-N	1	0	370.409	1.536	20	30		FDEDRO
N#Cc1cccc(OCC(=O)O[C@@H]2CCCN(c3cc[nH+]c(N)n3)C2)c1	ZINC000810761338	941052650	/nfs/dbraw/zinc/05/26/50/941052650.db2.gz	MDZWOOHWXRACQA-OAHLLOKOSA-N	1	0	353.382	1.521	20	30		FDEDRO
C=CCOc1cccnc1C(=O)O[C@H]1CCCN(c2cc[nH+]c(N)n2)C1	ZINC000810763939	941054240	/nfs/dbraw/zinc/05/42/40/941054240.db2.gz	FMTBQEAFKCOCRC-ZDUSSCGKSA-N	1	0	355.398	1.844	20	30		FDEDRO
N#Cc1ccc(F)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3COC(=O)N3)C2)c1	ZINC001086686056	941071999	/nfs/dbraw/zinc/07/19/99/941071999.db2.gz	HTODXZBGPSGALT-BJJXKVORSA-N	1	0	360.389	1.180	20	30		FDEDRO
N#Cc1nc(-c2ccco2)oc1N1CCN(C[C@H](O)C[NH+]2CCCC2)CC1	ZINC000747669706	941086201	/nfs/dbraw/zinc/08/62/01/941086201.db2.gz	OWWHJQFTJUVBPD-OAHLLOKOSA-N	1	0	371.441	1.385	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)OCC(=O)NCc2ccc(C#N)cc2)C1	ZINC000811445247	941132695	/nfs/dbraw/zinc/13/26/95/941132695.db2.gz	PYKXMNMYGIGAGQ-IBGZPJMESA-N	1	0	361.417	1.930	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](Cc2cc(=O)n3cc(Cl)ccc3n2)CC1	ZINC000747820288	941274687	/nfs/dbraw/zinc/27/46/87/941274687.db2.gz	SDCIVOTWGVQWSY-UHFFFAOYSA-N	1	0	358.829	1.309	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](CC(=O)N[C@H](C)c2ccc(CC)cc2)CC1	ZINC000747823970	941280545	/nfs/dbraw/zinc/28/05/45/941280545.db2.gz	YBBWSYZDYVXXCR-MRXNPFEDSA-N	1	0	355.482	1.888	20	30		FDEDRO
C#C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccc(F)cc1	ZINC000812889071	941287383	/nfs/dbraw/zinc/28/73/83/941287383.db2.gz	MOSUDDYSAQNJKE-HKUYNNGSSA-N	1	0	358.461	1.968	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1	ZINC001134053392	941529694	/nfs/dbraw/zinc/52/96/94/941529694.db2.gz	VITBJSQHQZQADY-WSTZPKSXSA-N	1	0	371.481	1.551	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1cc(C(C)(C)C)no1	ZINC001134053533	941529912	/nfs/dbraw/zinc/52/99/12/941529912.db2.gz	YDIGAJFLNSGHHN-OLZOCXBDSA-N	1	0	364.446	1.208	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NCCC1=CCCCC1	ZINC001134062024	941540764	/nfs/dbraw/zinc/54/07/64/941540764.db2.gz	OFNKHOWNQAIVRN-JQHSSLGASA-N	1	0	363.502	1.679	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)Nc1ccc(F)cc1F	ZINC001134062057	941540790	/nfs/dbraw/zinc/54/07/90/941540790.db2.gz	PMKWZKQMNLEHSE-GHJWDPDVSA-N	1	0	367.396	1.589	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NCCC1=CCCCC1	ZINC001134062025	941540859	/nfs/dbraw/zinc/54/08/59/941540859.db2.gz	OFNKHOWNQAIVRN-NXHRZFHOSA-N	1	0	363.502	1.679	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)N(CC)c1ccccc1	ZINC001134062051	941540943	/nfs/dbraw/zinc/54/09/43/941540943.db2.gz	PLBLFBCJUZVLBU-JQHSSLGASA-N	1	0	359.470	1.725	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnc(C)s2)C1	ZINC001086720922	941620554	/nfs/dbraw/zinc/62/05/54/941620554.db2.gz	VKTIMNSJLHUUOK-XHSDSOJGSA-N	1	0	361.515	1.319	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)c2cscc2C#N)C1	ZINC000814612049	941685854	/nfs/dbraw/zinc/68/58/54/941685854.db2.gz	JGSIDGFJGIIDGM-AWEZNQCLSA-N	1	0	365.455	1.250	20	30		FDEDRO
C#CCOc1ccc(NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)cc1	ZINC000814634303	941690419	/nfs/dbraw/zinc/69/04/19/941690419.db2.gz	AOXOVWYUEJCCAG-UHFFFAOYSA-N	1	0	372.469	1.812	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1	ZINC000747966101	941697253	/nfs/dbraw/zinc/69/72/53/941697253.db2.gz	OOYWTOUEODASKY-TZIWHRDSSA-N	1	0	370.493	1.903	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1	ZINC000747983201	941730330	/nfs/dbraw/zinc/73/03/30/941730330.db2.gz	FFNHHPMAOOAQKG-JXFKEZNVSA-N	1	0	362.518	1.668	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1cc(C(=O)OC)cc(C)c1C	ZINC000815082483	941777355	/nfs/dbraw/zinc/77/73/55/941777355.db2.gz	ULNIFXQOQMMGHT-UHFFFAOYSA-N	1	0	352.456	1.323	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1=O	ZINC001135026799	941854113	/nfs/dbraw/zinc/85/41/13/941854113.db2.gz	GBTJTBDVCNYUAW-KSZLIROESA-N	1	0	357.454	1.291	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)COCc1ccco1	ZINC001135067721	941883284	/nfs/dbraw/zinc/88/32/84/941883284.db2.gz	JLXIEYGEMOURFB-SZMVWBNQSA-N	1	0	366.458	1.234	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]Cc1cnc(C(F)(F)F)nc1	ZINC001135142002	941927245	/nfs/dbraw/zinc/92/72/45/941927245.db2.gz	ASCHTTZWXXSGFL-STQMWFEESA-N	1	0	358.364	1.682	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CCOCC(F)(F)C(F)F	ZINC001135142342	941927889	/nfs/dbraw/zinc/92/78/89/941927889.db2.gz	PZDYVANHIBWTBU-RYUDHWBXSA-N	1	0	356.360	1.590	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N[C@@H](C)c1cccs1	ZINC001135145410	941929125	/nfs/dbraw/zinc/92/91/25/941929125.db2.gz	HGEUHLCIZALLJW-ZQIUZPCESA-N	1	0	365.499	1.612	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCc1ccc(F)cc1	ZINC001135147898	941934991	/nfs/dbraw/zinc/93/49/91/941934991.db2.gz	SHVDOVKQMUFHDW-WMZOPIPTSA-N	1	0	363.433	1.129	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)CC1	ZINC000815675604	941935413	/nfs/dbraw/zinc/93/54/13/941935413.db2.gz	PCGOLSPVHIBMLV-FVQHAEBGSA-N	1	0	361.486	1.703	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccc(CC)cc1	ZINC001135147478	941942294	/nfs/dbraw/zinc/94/22/94/941942294.db2.gz	IYRCKGOESJZSLY-HKUYNNGSSA-N	1	0	359.470	1.875	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1cccc(OC)c1	ZINC001135147498	941942301	/nfs/dbraw/zinc/94/23/01/941942301.db2.gz	JQFOLBNEROIWLW-WMZOPIPTSA-N	1	0	361.442	1.321	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(-c2ccsc2)nn1C	ZINC000815861101	941997615	/nfs/dbraw/zinc/99/76/15/941997615.db2.gz	QPIJVKBNWPRFDH-UHFFFAOYSA-N	1	0	359.455	1.158	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cnn(CC(C)C)c1C(F)F	ZINC000815861098	941997631	/nfs/dbraw/zinc/99/76/31/941997631.db2.gz	QKZFXZQUUJSAPD-UHFFFAOYSA-N	1	0	369.416	1.487	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(=O)n(C)c2)C1	ZINC001086742755	942207079	/nfs/dbraw/zinc/20/70/79/942207079.db2.gz	GGHRKUJCCLJDTF-GXTWGEPZSA-N	1	0	368.275	1.782	20	30		FDEDRO
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](CO)C[NH+]1CCCCC1	ZINC000816568197	942264085	/nfs/dbraw/zinc/26/40/85/942264085.db2.gz	ZZNZLNFPIYSCEY-OAHLLOKOSA-N	1	0	356.426	1.827	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)N(C)C1CC1	ZINC001170841668	942311341	/nfs/dbraw/zinc/31/13/41/942311341.db2.gz	KKPZHLMKSLNEED-JQHSSLGASA-N	1	0	365.518	1.853	20	30		FDEDRO
C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCN(C)C2=O)C1	ZINC001086781103	942482709	/nfs/dbraw/zinc/48/27/09/942482709.db2.gz	BKCJQEAZESPNJK-XQQFMLRXSA-N	1	0	358.280	1.248	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NCC1CC1	ZINC001170853290	942487986	/nfs/dbraw/zinc/48/79/86/942487986.db2.gz	PRKXJYAYBCKCPM-JQHSSLGASA-N	1	0	365.518	1.758	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c1	ZINC000817770161	942937960	/nfs/dbraw/zinc/93/79/60/942937960.db2.gz	GJHYGAMSSGZEAN-FQEVSTJZSA-N	1	0	363.461	1.573	20	30		FDEDRO
C#Cc1cccc(CNC(=O)C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1	ZINC000817836805	942998178	/nfs/dbraw/zinc/99/81/78/942998178.db2.gz	OBNFZNOUWJFTHW-IBGZPJMESA-N	1	0	355.482	1.768	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N(C)[C@H](C[NH3+])C2CC2)ccc1F	ZINC000818003763	943105467	/nfs/dbraw/zinc/10/54/67/943105467.db2.gz	DNZMPEBCFBKUFE-CQSZACIVSA-N	1	0	355.435	1.099	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1F	ZINC000818009724	943145027	/nfs/dbraw/zinc/14/50/27/943145027.db2.gz	ZFJFOLCAYKTCBV-TZMCWYRMSA-N	1	0	369.462	1.347	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@]2(C)CC[NH2+]C2)c1	ZINC000818499322	943256544	/nfs/dbraw/zinc/25/65/44/943256544.db2.gz	NKXXOLCRLCMEAI-MNTXUITRSA-N	1	0	364.471	1.438	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)[C@H]1CC(=O)N(c2ccc(SC)cc2)C1	ZINC000818593422	943323457	/nfs/dbraw/zinc/32/34/57/943323457.db2.gz	ZLHIYYMTMMYSEB-HNNXBMFYSA-N	1	0	359.495	1.833	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)c1cc(Br)c2c(c1)OCCO2	ZINC000818609010	943332037	/nfs/dbraw/zinc/33/20/37/943332037.db2.gz	GDHPYPYIAGYCSM-UHFFFAOYSA-N	1	0	367.243	1.905	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cncc(C)c3)C2)nn1	ZINC001086823145	943384368	/nfs/dbraw/zinc/38/43/68/943384368.db2.gz	OXWNOPCXICRKLR-DOTOQJQBSA-N	1	0	354.458	1.856	20	30		FDEDRO
O=C(NCC[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1)C1N=CC=CC1=O	ZINC000819050150	943395675	/nfs/dbraw/zinc/39/56/75/943395675.db2.gz	QUBMBKIMBQXYSA-PQDJCJPTSA-N	1	0	369.343	1.855	20	30		FDEDRO
C=C(C)CN1CCC([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)CC1	ZINC000819023610	943406175	/nfs/dbraw/zinc/40/61/75/943406175.db2.gz	HLYNXJPKPZNLSS-UHFFFAOYSA-N	1	0	360.520	1.373	20	30		FDEDRO
C[C@@H]1[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)CCCN1C(=O)OC(C)(C)C	ZINC000819245006	943481040	/nfs/dbraw/zinc/48/10/40/943481040.db2.gz	YXHKYYXITCZFKL-OWCLPIDISA-N	1	0	354.495	1.570	20	30		FDEDRO
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]C[C@H](O)CN(C)CCC#N	ZINC000819247288	943482484	/nfs/dbraw/zinc/48/24/84/943482484.db2.gz	KURHYYNHKGABOX-PMPSAXMXSA-N	1	0	354.495	1.428	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@H]2COC3(CCCCC3)O2)c1	ZINC000819210557	943488635	/nfs/dbraw/zinc/48/86/35/943488635.db2.gz	WLERMZSFYROQHK-INIZCTEOSA-N	1	0	364.467	1.997	20	30		FDEDRO
Cn1ccnc1CN1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc(C#N)cc2)C1=O	ZINC000819222338	943495095	/nfs/dbraw/zinc/49/50/95/943495095.db2.gz	POJHUHCJVJXDBK-IAGOWNOFSA-N	1	0	353.426	1.106	20	30		FDEDRO
C#CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O	ZINC000819305058	943510584	/nfs/dbraw/zinc/51/05/84/943510584.db2.gz	LNBQRMDMMQGVPD-QZTJIDSGSA-N	1	0	362.429	1.868	20	30		FDEDRO
C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C[C@H](O)CN(C)CCC#N	ZINC000819266132	943518047	/nfs/dbraw/zinc/51/80/47/943518047.db2.gz	WCORLXCRVHKIDG-OWCLPIDISA-N	1	0	354.495	1.428	20	30		FDEDRO
CCOC1CC(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)(N2CCOCC2)C1	ZINC000819267839	943519729	/nfs/dbraw/zinc/51/97/29/943519729.db2.gz	YLMXPPYXYHTFQN-IOJLRTSASA-N	1	0	359.470	1.451	20	30		FDEDRO
Cn1ncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3F)C2)n1	ZINC001086828067	943597197	/nfs/dbraw/zinc/59/71/97/943597197.db2.gz	YDGWIZASKHKLEQ-DZGCQCFKSA-N	1	0	356.405	1.514	20	30		FDEDRO
CON=C(C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)c1csc(N)n1	ZINC000820023996	943846969	/nfs/dbraw/zinc/84/69/69/943846969.db2.gz	WEKJUQJOKYUTCV-UHFFFAOYSA-N	1	0	365.434	1.593	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](C[NH+](C)C)C2)s1	ZINC000819986998	943850331	/nfs/dbraw/zinc/85/03/31/943850331.db2.gz	LODPKUFLXNZURU-CYBMUJFWSA-N	1	0	371.528	1.165	20	30		FDEDRO
C[C@H]1COCC[N@@H+]1C1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1	ZINC000820133777	943908055	/nfs/dbraw/zinc/90/80/55/943908055.db2.gz	QBYPOLGEMAIUGL-HNNXBMFYSA-N	1	0	356.422	1.479	20	30		FDEDRO
CON=C(C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1csc(N)n1	ZINC000820158752	943919037	/nfs/dbraw/zinc/91/90/37/943919037.db2.gz	OSUBVWCHICHLBY-LBPRGKRZSA-N	1	0	351.476	1.553	20	30		FDEDRO
C[NH+]1CCN(c2ccc(CNC(=O)c3cc(C#N)ccc3F)cn2)CC1	ZINC000820422647	944052680	/nfs/dbraw/zinc/05/26/80/944052680.db2.gz	LSUFWFWSZLKVQQ-UHFFFAOYSA-N	1	0	353.401	1.774	20	30		FDEDRO
CON=C(C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1csc(N)n1	ZINC000820490456	944069285	/nfs/dbraw/zinc/06/92/85/944069285.db2.gz	KIFMANPBUJXRCB-LBPRGKRZSA-N	1	0	351.476	1.266	20	30		FDEDRO
C#C[C@@H](CCC)NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C	ZINC000820647886	944158303	/nfs/dbraw/zinc/15/83/03/944158303.db2.gz	XCUBMTSCJPNFKS-ROUUACIJSA-N	1	0	358.486	1.377	20	30		FDEDRO
C#CCC1(C(=O)N[C@H]2CC(=O)N(CC[N@@H+](C)CCOC)C2)CCCCC1	ZINC000820852257	944235056	/nfs/dbraw/zinc/23/50/56/944235056.db2.gz	GXNRZTHQAREYNU-KRWDZBQOSA-N	1	0	363.502	1.256	20	30		FDEDRO
C=C[C@@H](CC)CC(=O)N[C@@H]1CN(Cc2cccc3c2OCCO3)C[C@H]1O	ZINC001195566625	971075841	/nfs/dbraw/zinc/07/58/41/971075841.db2.gz	AFTPIRPWUFMKIU-USXIJHARSA-N	1	0	360.454	1.721	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCN(CC(F)F)CC2)C1	ZINC001195614899	971080546	/nfs/dbraw/zinc/08/05/46/971080546.db2.gz	HWVPSFKPERCKAA-NUEKZKHPSA-N	1	0	359.461	1.480	20	30		FDEDRO
CON=C(C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)c1csc(N)n1	ZINC000821319650	944415304	/nfs/dbraw/zinc/41/53/04/944415304.db2.gz	ZQULKYJXVBEHGW-LBPRGKRZSA-N	1	0	351.476	1.266	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H](C)C[NH+](C)C)cc1	ZINC000821533621	944542991	/nfs/dbraw/zinc/54/29/91/944542991.db2.gz	CLMVHKZNRBDSPM-CQSZACIVSA-N	1	0	368.503	1.812	20	30		FDEDRO
N#CCOc1cc(F)ccc1NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC000821861535	944736981	/nfs/dbraw/zinc/73/69/81/944736981.db2.gz	YLHIGPUVQVOAOW-HNNXBMFYSA-N	1	0	362.405	1.791	20	30		FDEDRO
C#C[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1CCOCC1	ZINC000823169191	945549841	/nfs/dbraw/zinc/54/98/41/945549841.db2.gz	WULMWSLGFMLGEF-RBUKOAKNSA-N	1	0	362.518	1.225	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NC(C)(C)C[NH+](C)C)s1	ZINC000823493504	945788155	/nfs/dbraw/zinc/78/81/55/945788155.db2.gz	IFMADNVJLWSBHT-UHFFFAOYSA-N	1	0	359.517	1.211	20	30		FDEDRO
CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(c2snc(Cl)c2C#N)C[C@H]1C	ZINC001090720560	945968365	/nfs/dbraw/zinc/96/83/65/945968365.db2.gz	ZUVCFPSFYJJXHS-ZYHUDNBSSA-N	1	0	355.895	1.949	20	30		FDEDRO
CC(C)[C@@H](C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C)[NH+]1CCCC1	ZINC001090722024	945971462	/nfs/dbraw/zinc/97/14/62/945971462.db2.gz	UJNPMEPWOFZBHS-KYJSFNMBSA-N	1	0	356.474	1.410	20	30		FDEDRO
CC[NH+](CC)[C@H](C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C)C(C)C	ZINC001090753220	946242892	/nfs/dbraw/zinc/24/28/92/946242892.db2.gz	OPQCDOSVVNORMX-RKVPGOIHSA-N	1	0	358.490	1.656	20	30		FDEDRO
C#CCCCS(=O)(=O)N1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1	ZINC000856542662	971221562	/nfs/dbraw/zinc/22/15/62/971221562.db2.gz	FQNLGBCRLPBBRI-GOSISDBHSA-N	1	0	365.499	1.730	20	30		FDEDRO
C=C(CCC(=O)OC)C(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1	ZINC001136884598	946473645	/nfs/dbraw/zinc/47/36/45/946473645.db2.gz	NCIQONLSQJWZFS-INIZCTEOSA-N	1	0	360.458	1.218	20	30		FDEDRO
C#CCCCCC(=O)N(C)CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F	ZINC001573284133	946739137	/nfs/dbraw/zinc/73/91/37/946739137.db2.gz	RXSFWWCLAVOLAT-UHFFFAOYSA-N	1	0	358.421	1.747	20	30		FDEDRO
C#CCCCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1	ZINC001573284517	946750146	/nfs/dbraw/zinc/75/01/46/946750146.db2.gz	FNFJIBDLUHSEPW-OLZOCXBDSA-N	1	0	358.421	1.792	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1	ZINC001090792467	946758828	/nfs/dbraw/zinc/75/88/28/946758828.db2.gz	JWQFBTHIPDDFGQ-NVXWUHKLSA-N	1	0	370.501	1.801	20	30		FDEDRO
C#CCCCC(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F	ZINC001573285461	946779083	/nfs/dbraw/zinc/77/90/83/946779083.db2.gz	XIRYZKVUNQTDFY-CYBMUJFWSA-N	1	0	358.421	1.746	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1	ZINC000824790390	946801783	/nfs/dbraw/zinc/80/17/83/946801783.db2.gz	WQPUJDIUMLAOQE-FQEVSTJZSA-N	1	0	367.493	1.854	20	30		FDEDRO
C=C(Br)C[NH2+]C[C@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001573292768	946938829	/nfs/dbraw/zinc/93/88/29/946938829.db2.gz	BJKUMEQUGLCQGW-QMMMGPOBSA-N	1	0	368.239	1.059	20	30		FDEDRO
C=C(C)CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1	ZINC001573293805	946967978	/nfs/dbraw/zinc/96/79/78/946967978.db2.gz	JZKBXSZGLWCYNS-ZIAGYGMSSA-N	1	0	357.462	1.991	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C(C)(C)C1	ZINC001573561968	946970939	/nfs/dbraw/zinc/97/09/39/946970939.db2.gz	PSPGIBWYCICBFV-WFASDCNBSA-N	1	0	353.430	1.353	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CCC(C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)CC1	ZINC001573563726	946985052	/nfs/dbraw/zinc/98/50/52/946985052.db2.gz	CMCFSLKTVUKIMD-AWEZNQCLSA-N	1	0	367.457	1.697	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2nn[nH]n2)cc1	ZINC001573564117	946989590	/nfs/dbraw/zinc/98/95/90/946989590.db2.gz	GCNPYASYSAORAQ-VBNZEHGJSA-N	1	0	351.414	1.202	20	30		FDEDRO
C=C(Cl)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1	ZINC001573294672	946995192	/nfs/dbraw/zinc/99/51/92/946995192.db2.gz	GEYCDNVOBLWPQD-NEPJUHHUSA-N	1	0	363.853	1.778	20	30		FDEDRO
C=C(Cl)C[NH+]1CCC(C)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1	ZINC001573294982	947006303	/nfs/dbraw/zinc/00/63/03/947006303.db2.gz	KHORWUBDTXEQRD-UHFFFAOYSA-N	1	0	363.853	1.779	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C12CCC2	ZINC001573295301	947014169	/nfs/dbraw/zinc/01/41/69/947014169.db2.gz	OBXJDPOXMZHDOV-CHWSQXEVSA-N	1	0	361.837	1.578	20	30		FDEDRO
C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC[C@H]21	ZINC001573295504	947021019	/nfs/dbraw/zinc/02/10/19/947021019.db2.gz	QVMJTCSLLJJTKD-SMDDNHRTSA-N	1	0	361.837	1.484	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001573566607	947026286	/nfs/dbraw/zinc/02/62/86/947026286.db2.gz	DRDUIAZQNFTSJH-UKRRQHHQSA-N	1	0	353.430	1.497	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1	ZINC001573567591	947050286	/nfs/dbraw/zinc/05/02/86/947050286.db2.gz	PBLZMCQAOOEWIL-LIRRHRJNSA-N	1	0	365.441	1.451	20	30		FDEDRO
C#Cc1cccc(C[NH2+]C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)c1	ZINC000825226535	947063862	/nfs/dbraw/zinc/06/38/62/947063862.db2.gz	IQNHWZONPTUPDV-UHFFFAOYSA-N	1	0	372.494	1.951	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1	ZINC001573568092	947063997	/nfs/dbraw/zinc/06/39/97/947063997.db2.gz	XRQMFYBWJOUVGS-XKQJLSEDSA-N	1	0	365.441	1.592	20	30		FDEDRO
C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[C@H]1C	ZINC001573298562	947076408	/nfs/dbraw/zinc/07/64/08/947076408.db2.gz	PRDFBVJVYLZCJL-MFKMUULPSA-N	1	0	363.853	1.635	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001573570151	947082724	/nfs/dbraw/zinc/08/27/24/947082724.db2.gz	LFMFBSWDQFHULQ-YCPHGPKFSA-N	1	0	367.457	1.743	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21	ZINC001573571051	947099217	/nfs/dbraw/zinc/09/92/17/947099217.db2.gz	XYVANZFQRAWAIU-PVXIVEMSSA-N	1	0	369.404	1.198	20	30		FDEDRO
C=C(C)CCC(=O)N1C[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1	ZINC001573299687	947100647	/nfs/dbraw/zinc/10/06/47/947100647.db2.gz	KVQHOUNRLNBFOW-LRDDRELGSA-N	1	0	355.446	1.607	20	30		FDEDRO
C[C@@H](C#N)C(=O)N[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CCCC1	ZINC001573571771	947102432	/nfs/dbraw/zinc/10/24/32/947102432.db2.gz	AQHIDSQZFAGCCR-SUMWQHHRSA-N	1	0	367.457	1.791	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1	ZINC001573572089	947109548	/nfs/dbraw/zinc/10/95/48/947109548.db2.gz	FAYHXIIKFYNOGN-MEBBXXQBSA-N	1	0	357.393	1.150	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1	ZINC001573572291	947110482	/nfs/dbraw/zinc/11/04/82/947110482.db2.gz	GQMKWZJWKYIREJ-NSHDSACASA-N	1	0	357.393	1.246	20	30		FDEDRO
C[C@H](C#N)C(=O)NC1(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCCC1	ZINC001573572460	947113234	/nfs/dbraw/zinc/11/32/34/947113234.db2.gz	IFQBXJYMRZTUNM-CYBMUJFWSA-N	1	0	353.430	1.545	20	30		FDEDRO
C[C@H](C#N)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1	ZINC001573572909	947116620	/nfs/dbraw/zinc/11/66/20/947116620.db2.gz	KSYUXTXAIUBZPF-HIFRSBDPSA-N	1	0	353.430	1.497	20	30		FDEDRO
CON=C(C(=O)NCCC1CC[NH+](C(C)C)CC1)c1csc(N)n1	ZINC000825327939	947149803	/nfs/dbraw/zinc/14/98/03/947149803.db2.gz	JYORSQPGESHTOZ-UHFFFAOYSA-N	1	0	353.492	1.703	20	30		FDEDRO
CC(C)[C@H](CNC(=O)[C@@H](C)C#N)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1	ZINC001573577536	947170102	/nfs/dbraw/zinc/17/01/02/947170102.db2.gz	QYNVCLUOJRHZSP-NHYWBVRUSA-N	1	0	359.409	1.396	20	30		FDEDRO
COc1cc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)ccc1C#N	ZINC000825369791	947197820	/nfs/dbraw/zinc/19/78/20/947197820.db2.gz	FVLSWGWFKDWHNO-INIZCTEOSA-N	1	0	356.426	1.121	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573583075	947198669	/nfs/dbraw/zinc/19/86/69/947198669.db2.gz	IMHLYDRIBYGOBK-RYUDHWBXSA-N	1	0	357.393	1.104	20	30		FDEDRO
C[C@H](C#N)C(=O)NCC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573583327	947202652	/nfs/dbraw/zinc/20/26/52/947202652.db2.gz	KYXBDWPRPHDUJT-OLZOCXBDSA-N	1	0	371.420	1.494	20	30		FDEDRO
C[C@@H](C#N)C(=O)NC[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C	ZINC001573584343	947219112	/nfs/dbraw/zinc/21/91/12/947219112.db2.gz	UUNXMNIAQOJHBP-WOSRLPQWSA-N	1	0	353.430	1.210	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090868473	947377993	/nfs/dbraw/zinc/37/79/93/947377993.db2.gz	ICMNDIHOCSSQBR-YTQUADARSA-N	1	0	371.481	1.682	20	30		FDEDRO
C=CCCC(=O)NCC1(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CCCC1	ZINC001573328166	947401504	/nfs/dbraw/zinc/40/15/04/947401504.db2.gz	RNXLBGZQHCLELD-UHFFFAOYSA-N	1	0	355.446	1.799	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ncccc2O)C[C@H]1c1ccc(OC)cc1	ZINC001090870542	947469961	/nfs/dbraw/zinc/46/99/61/947469961.db2.gz	HVIVQNYJRILCPP-DLBZAZTESA-N	1	0	351.406	1.627	20	30		FDEDRO
C=CCCCCC[N@H+]1CC[C@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1	ZINC001573335089	947471734	/nfs/dbraw/zinc/47/17/34/947471734.db2.gz	LADUQWBHPWEHFS-SFHVURJKSA-N	1	0	373.461	1.108	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H]([NH2+]CCO)C1	ZINC001090874573	947529873	/nfs/dbraw/zinc/52/98/73/947529873.db2.gz	LNFYBXLCOBMQCN-RBUKOAKNSA-N	1	0	369.465	1.873	20	30		FDEDRO
C=CCOc1ccc(/C=C/C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1OC	ZINC000843993296	947543583	/nfs/dbraw/zinc/54/35/83/947543583.db2.gz	CXFLQFRGDOHCQX-QQOXCAACSA-N	1	0	358.438	1.551	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(C)cnn2C)C[C@H]1c1ccc(OC)cc1	ZINC001090878035	947545558	/nfs/dbraw/zinc/54/55/58/947545558.db2.gz	COHLMJUNSIEURW-ZWKOTPCHSA-N	1	0	352.438	1.568	20	30		FDEDRO
C=CCOCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1	ZINC001573347608	947573927	/nfs/dbraw/zinc/57/39/27/947573927.db2.gz	FCYOFVMODXJKLV-KGLIPLIRSA-N	1	0	373.461	1.228	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@H]1c1ccc(OC)cc1	ZINC001090884480	947642927	/nfs/dbraw/zinc/64/29/27/947642927.db2.gz	SGIAZLJHSBDGET-RBUKOAKNSA-N	1	0	367.449	1.778	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090888219	947703745	/nfs/dbraw/zinc/70/37/45/947703745.db2.gz	IXULJQYPWRCJER-NZSAHSFTSA-N	1	0	371.481	1.634	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)N(C)C2)C[C@H]1c1ccc(OC)cc1	ZINC001090888221	947703786	/nfs/dbraw/zinc/70/37/86/947703786.db2.gz	IXULJQYPWRCJER-YTQUADARSA-N	1	0	371.481	1.634	20	30		FDEDRO
CO[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)CC[NH+]1CCCCC1	ZINC001090892460	947748044	/nfs/dbraw/zinc/74/80/44/947748044.db2.gz	PCGIEERVWDZQOX-IAGOWNOFSA-N	1	0	357.458	1.149	20	30		FDEDRO
CO[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)CCCC[NH+]1CCCC1	ZINC001090899861	947808167	/nfs/dbraw/zinc/80/81/67/947808167.db2.gz	MCRYQZJJXUNIDU-QZTJIDSGSA-N	1	0	371.485	1.539	20	30		FDEDRO
C[C@H](Sc1ncccc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)C(=O)N1CCCC1	ZINC000844195011	947819425	/nfs/dbraw/zinc/81/94/25/947819425.db2.gz	PASRNMFVKWTLRT-KCQAQPDRSA-N	1	0	373.482	1.026	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)c2cccc(F)c2)C1	ZINC001196083104	971445964	/nfs/dbraw/zinc/44/59/64/971445964.db2.gz	LFXQVOGSZYQLKO-BMGDILEWSA-N	1	0	350.434	1.683	20	30		FDEDRO
C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C[C@@H](O)c1cccc(C#N)c1	ZINC000844367297	948016731	/nfs/dbraw/zinc/01/67/31/948016731.db2.gz	STFCNZDDLJIBHS-AZUAARDMSA-N	1	0	351.406	1.835	20	30		FDEDRO
CO[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@H]1NC(=O)[C@@H](C)Cc1c[nH]cn1	ZINC001090946925	948077911	/nfs/dbraw/zinc/07/79/11/948077911.db2.gz	VGIJDTJXMUUXDF-JCURWCKSSA-N	1	0	368.441	1.183	20	30		FDEDRO
C=CC[C@H](C)C(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1	ZINC001144015377	948117672	/nfs/dbraw/zinc/11/76/72/948117672.db2.gz	WNBAQEMFOLCAPJ-RDJZCZTQSA-N	1	0	361.490	1.566	20	30		FDEDRO
N#Cc1cncc(C[N@H+]2C[C@@H]3COC[C@]3(CNC(=O)N3CCCC3)C2)c1	ZINC001144075918	948190244	/nfs/dbraw/zinc/19/02/44/948190244.db2.gz	VIJAWTCKJZURSQ-MJGOQNOKSA-N	1	0	355.442	1.207	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C(=O)N4CCC(F)CC4)[C@@H]3C2)nc1	ZINC001144157337	948300062	/nfs/dbraw/zinc/30/00/62/948300062.db2.gz	DUVNAJKQVBKVFB-LZQZEXGQSA-N	1	0	372.444	1.608	20	30		FDEDRO
C#CCO[C@H](C)C(=O)Nc1ccc(OCCCN2CC[NH+](C)CC2)cc1	ZINC000844844453	948458777	/nfs/dbraw/zinc/45/87/77/948458777.db2.gz	ILKHIVQSQKJAIW-QGZVFWFLSA-N	1	0	359.470	1.680	20	30		FDEDRO
C[C@@H](COCC(=O)N1C[C@@H](C)[C@H](Nc2ccncc2C#N)C1)[NH+]1CCCC1	ZINC001091024375	948517519	/nfs/dbraw/zinc/51/75/19/948517519.db2.gz	JEYJISXWSHCEQG-JTDSTZFVSA-N	1	0	371.485	1.135	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCO[C@@H]2CN(c3cc(C)ncc3C#N)C[C@@H]21	ZINC001091046821	948608892	/nfs/dbraw/zinc/60/88/92/948608892.db2.gz	ONKAZMRUJDFCKB-ZWKOTPCHSA-N	1	0	357.458	1.020	20	30		FDEDRO
CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCCN1CCC([NH+](C)C)CC1	ZINC000845077677	948673493	/nfs/dbraw/zinc/67/34/93/948673493.db2.gz	WJOOHJHLQSSEPJ-LJQANCHMSA-N	1	0	373.501	1.259	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)NOC3CCOCC3)CC2)c1	ZINC000845121154	948701329	/nfs/dbraw/zinc/70/13/29/948701329.db2.gz	DDVYLFCQWSJAGX-UHFFFAOYSA-N	1	0	358.442	1.932	20	30		FDEDRO
Cn1nncc1CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000845201451	948851832	/nfs/dbraw/zinc/85/18/32/948851832.db2.gz	UNKPTDITARCXKO-UHFFFAOYSA-N	1	0	353.430	1.151	20	30		FDEDRO
C[C@@H]1OCCO[C@@H]1C(=O)NCC1CC([NH2+]Cc2ccc(C#N)cc2F)C1	ZINC001091076527	949000032	/nfs/dbraw/zinc/00/00/32/949000032.db2.gz	FSURGAZFJAYJGZ-QZXDYEHLSA-N	1	0	361.417	1.486	20	30		FDEDRO
CC(C)(C)C#CC(=O)N[C@@H]1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1	ZINC001573792786	949270748	/nfs/dbraw/zinc/27/07/48/949270748.db2.gz	DRFAJIZPNPSBQE-DZGCQCFKSA-N	1	0	367.457	1.430	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O)[NH+]1CCCCC1	ZINC001091117737	949354135	/nfs/dbraw/zinc/35/41/35/949354135.db2.gz	RMHMNKCTNZQMSH-ZIFCJYIRSA-N	1	0	371.485	1.129	20	30		FDEDRO
COCC[N@@H+]1CCO[C@@H]2CN(C(=S)Nc3ccccc3C#N)CC[C@@H]2C1	ZINC001196304151	971593451	/nfs/dbraw/zinc/59/34/51/971593451.db2.gz	GEOAICYBDLIMGT-SJLPKXTDSA-N	1	0	374.510	1.924	20	30		FDEDRO
C=C[C@H](C)ONC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1	ZINC000845633340	949715946	/nfs/dbraw/zinc/71/59/46/949715946.db2.gz	PAHIBXIIKMEFDR-AWEZNQCLSA-N	1	0	354.495	1.618	20	30		FDEDRO
C=CCN1CCN(C)C2(CC[NH+](Cc3c(O)cc(O)cc3O)CC2)C1=O	ZINC001144507915	949732761	/nfs/dbraw/zinc/73/27/61/949732761.db2.gz	FOEPJJUQVOZOSP-UHFFFAOYSA-N	1	0	361.442	1.098	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C2CC(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc1	ZINC001091153800	949738651	/nfs/dbraw/zinc/73/86/51/949738651.db2.gz	HUOIAGGTHGXRMU-BAMZZKKUSA-N	1	0	351.450	1.966	20	30		FDEDRO
C#Cc1ccc(C[N@H+]2CCC[C@]3(CCN(CC(=O)N(C)C)C3=O)C2)cc1	ZINC001144571814	949952900	/nfs/dbraw/zinc/95/29/00/949952900.db2.gz	JKQLMGSMEARWBX-NRFANRHFSA-N	1	0	353.466	1.571	20	30		FDEDRO
C#Cc1ccc(C[N@H+]2CCC[C@@]3(CO[C@@H](C(=O)N4CCOCC4)C3)C2)cc1	ZINC001144573935	949957017	/nfs/dbraw/zinc/95/70/17/949957017.db2.gz	UPWIJOMKQNRRGA-IRLDBZIGSA-N	1	0	368.477	1.898	20	30		FDEDRO
C[C@H](CN(C)C(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1	ZINC001574739697	950207246	/nfs/dbraw/zinc/20/72/46/950207246.db2.gz	WADXBNCEXVTLNL-SNVBAGLBSA-N	1	0	370.442	1.378	20	30		FDEDRO
CC[C@@H](C(=O)N[C@@H]1CN(c2cccc(F)c2C#N)C[C@@H]1O)[NH+](CC)CC	ZINC001091181259	950335971	/nfs/dbraw/zinc/33/59/71/950335971.db2.gz	YGLMREQQXRRVJS-RYRKJORJSA-N	1	0	362.449	1.483	20	30		FDEDRO
C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1	ZINC001574997359	950544795	/nfs/dbraw/zinc/54/47/95/950544795.db2.gz	UEDVKGTYJDLCCB-JTQLQIEISA-N	1	0	368.376	1.114	20	30		FDEDRO
CC1CC[NH+](C[C@H]2CCCN(c3cnc(-c4nn[nH]n4)c(C#N)n3)C2)CC1	ZINC001576213546	950630704	/nfs/dbraw/zinc/63/07/04/950630704.db2.gz	CLOBLFYGQOSFID-CQSZACIVSA-N	1	0	367.461	1.477	20	30		FDEDRO
N#Cc1cncc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1	ZINC000846235508	950765449	/nfs/dbraw/zinc/76/54/49/950765449.db2.gz	XHQSBDAGNUXBMH-BMFZPTHFSA-N	1	0	350.444	1.003	20	30		FDEDRO
C[NH+](C)CC1(C(=O)N2CC[C@H]3CCN(c4ccncc4C#N)[C@H]3C2)CC1	ZINC001091227043	951106591	/nfs/dbraw/zinc/10/65/91/951106591.db2.gz	ZHYIGVNYVYODQF-YJBOKZPZSA-N	1	0	353.470	1.722	20	30		FDEDRO
C#CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2	ZINC001110114732	951124985	/nfs/dbraw/zinc/12/49/85/951124985.db2.gz	CTUOLQVEGXMRFP-RDGPPVDQSA-N	1	0	374.529	1.112	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C12CCC2	ZINC001571003896	951128325	/nfs/dbraw/zinc/12/83/25/951128325.db2.gz	DNXNYDWMNDSHTH-CHWSQXEVSA-N	1	0	361.837	1.578	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC([NH2+]CCn2cc(Cl)cn2)C1	ZINC001091243683	951143078	/nfs/dbraw/zinc/14/30/78/951143078.db2.gz	UVQUKGSMEAJOLD-GDVJOBBMSA-N	1	0	352.866	1.612	20	30		FDEDRO
C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(C)c1Cl)C2	ZINC001110720669	971727626	/nfs/dbraw/zinc/72/76/26/971727626.db2.gz	OYMAJDZLMDOFQH-UNJBNNCHSA-N	1	0	365.865	1.099	20	30		FDEDRO
C=C(C)CONC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C	ZINC000846536676	951278042	/nfs/dbraw/zinc/27/80/42/951278042.db2.gz	WLVSNWKARDYXFN-UHFFFAOYSA-N	1	0	369.487	1.463	20	30		FDEDRO
COc1cccc(C[C@@H]([NH3+])C(=O)N2CCN(c3ccccc3C#N)CC2)c1	ZINC001144933982	951537320	/nfs/dbraw/zinc/53/73/20/951537320.db2.gz	YJGWKTSHHPDJIZ-LJQANCHMSA-N	1	0	364.449	1.785	20	30		FDEDRO
C=CC[N@@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@@H]3CCO[C@H]3C=C)c2)C1	ZINC001091405189	951599362	/nfs/dbraw/zinc/59/93/62/951599362.db2.gz	SRXHXIPJSSFWSU-OTWHNJEPSA-N	1	0	357.454	1.928	20	30		FDEDRO
NC(=O)c1ccc(C(=[NH2+])Nc2ccc(C3CC(=O)NC(=O)C3)cc2)cc1	ZINC001171256057	951688244	/nfs/dbraw/zinc/68/82/44/951688244.db2.gz	DKXNTCORTFVFCV-UHFFFAOYSA-N	1	0	350.378	1.343	20	30		FDEDRO
C#C[C@H]1CCC[N@@H+](CC(=O)N2CCN(Cc3ccc(OC)cc3)CC2)C1	ZINC000847020605	951774488	/nfs/dbraw/zinc/77/44/88/951774488.db2.gz	COHVNARGHSJCMG-SFHVURJKSA-N	1	0	355.482	1.685	20	30		FDEDRO
C#C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccccc2CN2CCOCC2)C1	ZINC000847029385	951780536	/nfs/dbraw/zinc/78/05/36/951780536.db2.gz	MYHACQHQQGFQNF-GOSISDBHSA-N	1	0	355.482	1.480	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)/C=C/c4ccco4)C[C@]3(C)C2)C1=O	ZINC001091443055	951805966	/nfs/dbraw/zinc/80/59/66/951805966.db2.gz	YYKBRQGGKFWMBA-PVSSZQJOSA-N	1	0	369.465	1.860	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@H]2C[N@H+](CCc3ccc4c(c3)OCCO4)C[C@@]2(C)C1	ZINC001091543673	951980662	/nfs/dbraw/zinc/98/06/62/951980662.db2.gz	NIBZZAIFOGAIMX-CEQIKUNHSA-N	1	0	369.465	1.940	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@H]2C[N@H+](Cc3cccc4c3OCCO4)C[C@@]2(C)C1	ZINC001091545218	951984634	/nfs/dbraw/zinc/98/46/34/951984634.db2.gz	MCBFKLDPJKCPHR-NBQZKYEYSA-N	1	0	355.438	1.898	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ocnc4C)C[C@]3(C)C2)C1=O	ZINC001091573639	952108319	/nfs/dbraw/zinc/10/83/19/952108319.db2.gz	WWUSCOUEHHNNSM-VCBZYWHSSA-N	1	0	358.442	1.164	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@H]3CCNC(=O)C3)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2	ZINC001091591334	952175787	/nfs/dbraw/zinc/17/57/87/952175787.db2.gz	URQCUVULQNKMKD-FPDPHYFHSA-N	1	0	366.465	1.365	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)C1	ZINC001571085825	952199002	/nfs/dbraw/zinc/19/90/02/952199002.db2.gz	VDTKOWDYCSXYHK-TZMCWYRMSA-N	1	0	371.420	1.588	20	30		FDEDRO
C[C@H](C#N)C(=O)N1CCC([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2F)CC1	ZINC001571085708	952199186	/nfs/dbraw/zinc/19/91/86/952199186.db2.gz	UQTSZCQFBKASHJ-GFCCVEGCSA-N	1	0	371.420	1.588	20	30		FDEDRO
C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(C#N)n2)C1)[NH+]1CCCCCC1	ZINC001091602517	952240262	/nfs/dbraw/zinc/24/02/62/952240262.db2.gz	XRVKOKBUMKPAGT-IXDOHACOSA-N	1	0	370.501	1.731	20	30		FDEDRO
CC(C)N1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@]3(C)C2)C1=O	ZINC001091612965	952287499	/nfs/dbraw/zinc/28/74/99/952287499.db2.gz	KIWGVJDVJMVPSO-SYNHAJSKSA-N	1	0	369.469	1.290	20	30		FDEDRO
CCn1nc(C)c(CN2C[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@]3(C)C2)n1	ZINC001091612947	952287612	/nfs/dbraw/zinc/28/76/12/952287612.db2.gz	JJORBQCNKMLWCT-BEFAXECRSA-N	1	0	367.457	1.400	20	30		FDEDRO
C[C@]12CN(C(=O)Cc3cncnc3)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001091633333	952406987	/nfs/dbraw/zinc/40/69/87/952406987.db2.gz	FOFSKTPAVKSWOE-CTNGQTDRSA-N	1	0	361.449	1.871	20	30		FDEDRO
CC(C)Cn1ncnc1CN1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1	ZINC001091659224	952518640	/nfs/dbraw/zinc/51/86/40/952518640.db2.gz	HYWUNQHZRYHJCC-XLIONFOSSA-N	1	0	355.486	1.628	20	30		FDEDRO
C[C@]12CN(C(=O)[C@]34C[C@H]3COC4)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001091685651	952638181	/nfs/dbraw/zinc/63/81/81/952638181.db2.gz	AIWITEVVXACUDB-YHELAOLJSA-N	1	0	351.450	1.875	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)C2	ZINC001148311009	952679920	/nfs/dbraw/zinc/67/99/20/952679920.db2.gz	TYCWVZQPTCUVSY-XHSDSOJGSA-N	1	0	363.502	1.415	20	30		FDEDRO
CN1C[C@H](C(=O)N2C[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@@]3(C)C2)CC1=O	ZINC001091714834	952709699	/nfs/dbraw/zinc/70/96/99/952709699.db2.gz	KERVVUINPXABAQ-KNKQGSTJSA-N	1	0	365.477	1.297	20	30		FDEDRO
COCC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3OCC[C@@H]3c3ccccc3)C2)C1	ZINC001148418258	952725186	/nfs/dbraw/zinc/72/51/86/952725186.db2.gz	FBVOLNCZBRWPCC-WOJBJXKFSA-N	1	0	368.477	1.743	20	30		FDEDRO
C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CNC(=O)c4ccccc43)C[C@]2(C)C1	ZINC001091746448	952786776	/nfs/dbraw/zinc/78/67/76/952786776.db2.gz	ORCJYLNQFPHDKI-FPDPHYFHSA-N	1	0	353.466	1.870	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cnc(C)cn3)C[C@@]2(C)C1	ZINC001091749552	952788912	/nfs/dbraw/zinc/78/89/12/952788912.db2.gz	NCEVDQWRHAOFHS-LMNJBCLMSA-N	1	0	367.497	1.163	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCO[C@H]3c3cnn(C)c3)C[C@]2(C)C1	ZINC001091750288	952790422	/nfs/dbraw/zinc/79/04/22/952790422.db2.gz	CYWBNGOLWOVLAW-BNDYYXHWSA-N	1	0	370.497	1.691	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H]3CCN(C(C)C)C3=O)C2)cn1	ZINC001086857771	952875842	/nfs/dbraw/zinc/87/58/42/952875842.db2.gz	VMOOGYSVPCIYES-IPELMVKDSA-N	1	0	368.481	1.560	20	30		FDEDRO
C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3ccnc(C)n3)C2)C1=O	ZINC001086878234	952906201	/nfs/dbraw/zinc/90/62/01/952906201.db2.gz	FWYVKVNVWRZWIL-UXLLHSPISA-N	1	0	357.458	1.060	20	30		FDEDRO
CCN1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)C1	ZINC001086880949	952911978	/nfs/dbraw/zinc/91/19/78/952911978.db2.gz	WQDZFCZJPSMXHM-DBVUQKKJSA-N	1	0	370.497	1.653	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cccc(F)c2)C1	ZINC001086971181	952973775	/nfs/dbraw/zinc/97/37/75/952973775.db2.gz	ANYDAJKVYFNBFV-JEBQAFNWSA-N	1	0	355.417	1.803	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cccc(F)c2)C1	ZINC001086971180	952973887	/nfs/dbraw/zinc/97/38/87/952973887.db2.gz	ANYDAJKVYFNBFV-DOPJRALCSA-N	1	0	355.417	1.803	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2cn(C3CCC3)nn2)C[C@H]1c1cnn(C)c1	ZINC001086979173	952992128	/nfs/dbraw/zinc/99/21/28/952992128.db2.gz	MRCVYVAXGIDVDC-JKSUJKDBSA-N	1	0	355.446	1.120	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3cn[nH]c32)C[C@H]1c1cnn(C)c1	ZINC001086979176	952992294	/nfs/dbraw/zinc/99/22/94/952992294.db2.gz	MVOIFTHKWYPPPV-YESZJQIVSA-N	1	0	354.458	1.333	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2nc3cccnc3s2)C[C@H]1c1cnn(C)c1	ZINC001086982598	952995937	/nfs/dbraw/zinc/99/59/37/952995937.db2.gz	SDVBZXQJJHXWKR-DZGCQCFKSA-N	1	0	368.466	1.809	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cncc(Cl)c2C)C[C@H]1c1cnn(C)c1	ZINC001086983385	952996888	/nfs/dbraw/zinc/99/68/88/952996888.db2.gz	MGZOTUJQIQGYPG-DOTOQJQBSA-N	1	0	357.845	1.608	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)CC[C@@H](C)C3)C[C@H]1c1cnn(C)c1	ZINC001086983669	952997699	/nfs/dbraw/zinc/99/76/99/952997699.db2.gz	AQDSIZSNXCGPBN-HYVNUMGLSA-N	1	0	366.469	1.030	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2c(C)nc3sccn32)C[C@H]1c1cnn(C)c1	ZINC001086984673	952999403	/nfs/dbraw/zinc/99/94/03/952999403.db2.gz	XTVWLAKEDARCIF-LSDHHAIUSA-N	1	0	368.466	1.269	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc3n[nH]cc3c2)C[C@H]1c1cnn(C)c1	ZINC001086987403	953009710	/nfs/dbraw/zinc/00/97/10/953009710.db2.gz	QENXAZWGKDUZMH-PKOBYXMFSA-N	1	0	362.437	1.056	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cnc(CC3CC3)s2)C[C@H]1c1cnn(C)c1	ZINC001086988658	953012636	/nfs/dbraw/zinc/01/26/36/953012636.db2.gz	KMGRFHMFTRVTER-JKSUJKDBSA-N	1	0	369.494	1.660	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc3c(c2)CCO3)C[C@H]1c1cnn(C)c1	ZINC001086989691	953015015	/nfs/dbraw/zinc/01/50/15/953015015.db2.gz	OBWARJCAPOQEKP-RBUKOAKNSA-N	1	0	364.449	1.115	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ncoc2[C@@H]2CCCO2)C[C@H]1c1cnn(C)c1	ZINC001086990520	953017957	/nfs/dbraw/zinc/01/79/57/953017957.db2.gz	GTBCMJBABQTVBY-XHSDSOJGSA-N	1	0	369.425	1.091	20	30		FDEDRO
C=C(C)C(C)(C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+][C@H](CC)C(N)=O)C1	ZINC001086990510	953018001	/nfs/dbraw/zinc/01/80/01/953018001.db2.gz	GLQHMQFSZYSYBT-ARFHVFGLSA-N	1	0	361.490	1.170	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2ccn(CC)n2)C[C@H]1c1cnn(C)c1	ZINC001086980202	953029149	/nfs/dbraw/zinc/02/91/49/953029149.db2.gz	QLMNEAUYBMQVOE-ZWKOTPCHSA-N	1	0	356.474	1.339	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)Cc2cc(C3CC3)no2)C[C@H]1c1cnn(C)c1	ZINC001086981845	953033903	/nfs/dbraw/zinc/03/39/03/953033903.db2.gz	GNIHBXJYUWENFA-FUHWJXTLSA-N	1	0	355.442	1.598	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccc3nncn3c2)C[C@H]1c1cnn(C)c1	ZINC001087001812	953056233	/nfs/dbraw/zinc/05/62/33/953056233.db2.gz	PYGBCTBJRACBHB-DLBZAZTESA-N	1	0	365.441	1.237	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)c2c(C)noc2C)C[C@H]1c1cnn(C)c1	ZINC001087001772	953056429	/nfs/dbraw/zinc/05/64/29/953056429.db2.gz	NLRYMCSNGAOGFS-OAUYIBNBSA-N	1	0	355.442	1.346	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2n[nH]c3c2C[C@@H](C)CC3)C[C@H]1c1cnn(C)c1	ZINC001087004220	953061789	/nfs/dbraw/zinc/06/17/89/953061789.db2.gz	LWFUQWNRPFFKOK-QANKJYHBSA-N	1	0	366.469	1.099	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3ccn(C)c3c2)C[C@H]1c1cnn(C)c1	ZINC001087004816	953063050	/nfs/dbraw/zinc/06/30/50/953063050.db2.gz	XDJKKBXQBLQAFH-RBUKOAKNSA-N	1	0	361.449	1.743	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)c2cc3c([nH]2)CCCC3)C[C@H]1c1cnn(C)c1	ZINC001087004776	953063222	/nfs/dbraw/zinc/06/32/22/953063222.db2.gz	UFGHWLIZAABOKQ-QFBILLFUSA-N	1	0	351.454	1.458	20	30		FDEDRO
C=C(Cl)CN[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1c1cnn(C)c1	ZINC001087005462	953064831	/nfs/dbraw/zinc/06/48/31/953064831.db2.gz	DNRIPGCYLHAHQL-HYVNUMGLSA-N	1	0	365.909	1.398	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]c3ccccc23)C[C@H]1c1cnn(C)c1	ZINC001087007056	953091682	/nfs/dbraw/zinc/09/16/82/953091682.db2.gz	JQJNMNOBRMHCIU-AZUAARDMSA-N	1	0	361.449	1.661	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2ncccc2OC(C)C)C[C@H]1c1cnn(C)c1	ZINC001087007398	953092957	/nfs/dbraw/zinc/09/29/57/953092957.db2.gz	BRGKSWBKIXMOMH-DLBZAZTESA-N	1	0	369.469	1.986	20	30		FDEDRO
C#CC[NH2+][C@@H]1CN(C(=O)CCc2ccc(OC)cc2)C[C@H]1c1cnn(C)c1	ZINC001087008764	953096379	/nfs/dbraw/zinc/09/63/79/953096379.db2.gz	XARBWTPTQUCLME-VQTJNVASSA-N	1	0	366.465	1.579	20	30		FDEDRO
C=CC[NH2+][C@@H]1CN(C(=O)c2scnc2Cl)C[C@H]1c1cnn(C)c1	ZINC001087010367	953101316	/nfs/dbraw/zinc/10/13/16/953101316.db2.gz	YWUFKUGKGAYODN-NWDGAFQWSA-N	1	0	351.863	1.914	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001087028497	953116762	/nfs/dbraw/zinc/11/67/62/953116762.db2.gz	KLOGUKBSLDVOKV-MLGOLLRUSA-N	1	0	359.455	1.610	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001087028665	953117650	/nfs/dbraw/zinc/11/76/50/953117650.db2.gz	RDTXMYKAWOYOCC-CRAIPNDOSA-N	1	0	371.416	1.687	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C)n[nH]2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087031163	953126482	/nfs/dbraw/zinc/12/64/82/953126482.db2.gz	NOXOKNUJQLPOEA-IEBWSBKVSA-N	1	0	367.453	1.857	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](CC)OC)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087033359	953134393	/nfs/dbraw/zinc/13/43/93/953134393.db2.gz	PJNINQJAQCXWSG-GUDVDZBRSA-N	1	0	359.470	1.936	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001087022983	953138087	/nfs/dbraw/zinc/13/80/87/953138087.db2.gz	NXXZHLIWTBMVHX-GUDVDZBRSA-N	1	0	357.454	1.690	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001087035904	953146138	/nfs/dbraw/zinc/14/61/38/953146138.db2.gz	QTDMXMGOEFBVHC-FDQGKXFDSA-N	1	0	358.417	1.810	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1cccnc1	ZINC001087040122	953156868	/nfs/dbraw/zinc/15/68/68/953156868.db2.gz	SHWFUIUFJQCJMV-SJLPKXTDSA-N	1	0	353.426	1.548	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCc2nc(C3CC3)no2)C1	ZINC001196739520	971901470	/nfs/dbraw/zinc/90/14/70/971901470.db2.gz	OZSVCVMRNROAAR-NUEKZKHPSA-N	1	0	362.474	1.786	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001087053351	953185638	/nfs/dbraw/zinc/18/56/38/953185638.db2.gz	LCFYMJNHECUEAX-CRAIPNDOSA-N	1	0	357.479	1.986	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccon2)[C@H](OCC)C1	ZINC001087055150	953188564	/nfs/dbraw/zinc/18/85/64/953188564.db2.gz	YMVNZAFHLIFOSD-NRSFXHEJSA-N	1	0	363.458	1.609	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1nncs1	ZINC001087046346	953193690	/nfs/dbraw/zinc/19/36/90/953193690.db2.gz	ZINCRYJOKQWYRX-BXUZGUMPSA-N	1	0	360.443	1.005	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1ccns1	ZINC001087047090	953195654	/nfs/dbraw/zinc/19/56/54/953195654.db2.gz	ROONHEHPDNKAOV-CZUORRHYSA-N	1	0	359.455	1.610	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2nncn2C)[C@H](OCC)C1	ZINC001087057786	953201103	/nfs/dbraw/zinc/20/11/03/953201103.db2.gz	UXAKURKDYSQEEH-ZIAGYGMSSA-N	1	0	369.897	1.547	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087075159	953231321	/nfs/dbraw/zinc/23/13/21/953231321.db2.gz	ZDPRZZXNTSXWEI-OBKDMQGPSA-N	1	0	369.465	1.404	20	30		FDEDRO
C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]Cc3ncnn3CC)[C@H](OCC)C2)C1	ZINC001087082232	953240783	/nfs/dbraw/zinc/24/07/83/953240783.db2.gz	CFMWFUQZGVRGKL-HZPDHXFCSA-N	1	0	361.490	1.607	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3ccns3)[C@H](OCC)C2)c1	ZINC001087082607	953241345	/nfs/dbraw/zinc/24/13/45/953241345.db2.gz	SIRWBIDDDPSKGA-SJLPKXTDSA-N	1	0	370.478	1.786	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ncccn2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001087092999	953258107	/nfs/dbraw/zinc/25/81/07/953258107.db2.gz	OKPBXXFVNVQJFC-QZTJIDSGSA-N	1	0	365.437	1.615	20	30		FDEDRO
C=C[C@@](C)(CC)C(=O)N1C[C@@H](C[NH2+]Cc2cnnn2CC)[C@H](OCC)C1	ZINC001087080170	953265609	/nfs/dbraw/zinc/26/56/09/953265609.db2.gz	XTUZRKNQBDKGML-SUMDDJOVSA-N	1	0	363.506	1.853	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001087100771	953271524	/nfs/dbraw/zinc/27/15/24/953271524.db2.gz	CUIRTWGJEIBWNI-IEBWSBKVSA-N	1	0	367.453	1.559	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3conc3C)[C@H](OCC)C2)cn1	ZINC001087097502	953284819	/nfs/dbraw/zinc/28/48/19/953284819.db2.gz	TUIDYHVWDRCWBY-VQIMIIECSA-N	1	0	368.437	1.626	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CCN1c1ccc(C#N)nn1	ZINC001091788671	953308468	/nfs/dbraw/zinc/30/84/68/953308468.db2.gz	YAWBAKCJNOUSJW-DLBZAZTESA-N	1	0	356.474	1.698	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@H]2C[N@@H+](CC(=O)NC)C[C@@]2(C)C1	ZINC001091793962	953318074	/nfs/dbraw/zinc/31/80/74/953318074.db2.gz	UHMABGKNRRIYPX-QRWLVFNGSA-N	1	0	357.454	1.391	20	30		FDEDRO
C=CCOc1ccccc1C(=O)N1C[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@@]2(C)C1	ZINC001091794032	953318216	/nfs/dbraw/zinc/31/82/16/953318216.db2.gz	XXLHYRSGJFOTGR-MDOVXXIYSA-N	1	0	357.454	1.519	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C(=O)NC)c1)C2	ZINC001110123696	953318690	/nfs/dbraw/zinc/31/86/90/953318690.db2.gz	MTPGTPHNUMZWQT-SQNIBIBYSA-N	1	0	357.454	1.584	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3cnc4c(c3)NC(=O)CO4)C[C@]2(C)C1	ZINC001091823467	953489254	/nfs/dbraw/zinc/48/92/54/953489254.db2.gz	DRUYZSWPXPSULJ-KUHUBIRLSA-N	1	0	356.426	1.383	20	30		FDEDRO
CC[C@@H](C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)[C@@H]1CC)[NH+](CC)CC	ZINC001091826039	953500789	/nfs/dbraw/zinc/50/07/89/953500789.db2.gz	AWERDKBWDPQFLG-XHSDSOJGSA-N	1	0	358.490	1.942	20	30		FDEDRO
CC[C@@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CCN1c1ccc(C#N)nn1	ZINC001091826229	953500866	/nfs/dbraw/zinc/50/08/66/953500866.db2.gz	MYUUZLSABVTUES-JKSUJKDBSA-N	1	0	358.490	1.800	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N1C[C@H]2CCN(c3cnc(C#N)cn3)C[C@H]2C1	ZINC001091856938	953566262	/nfs/dbraw/zinc/56/62/62/953566262.db2.gz	QIRMUSOUIJSRQZ-CVEARBPZSA-N	1	0	356.474	1.365	20	30		FDEDRO
C[NH+](C)CCC(=O)N1C[C@@H]2CN(c3snc(Cl)c3C#N)CC[C@@H]2C1	ZINC001091870300	953625964	/nfs/dbraw/zinc/62/59/64/953625964.db2.gz	LMDLTPQXRBXLOP-NEPJUHHUSA-N	1	0	367.906	1.905	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3coc4c3C(=O)NCCC4)C[C@]2(C)C1	ZINC001091870921	953627739	/nfs/dbraw/zinc/62/77/39/953627739.db2.gz	OSNNWCYBGJXTRO-VLIAUNLRSA-N	1	0	357.454	1.926	20	30		FDEDRO
CN1CC[C@H](C(=O)N2C[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@@]3(C)C2)C1=O	ZINC001091930674	953724296	/nfs/dbraw/zinc/72/42/96/953724296.db2.gz	OQZOOWOROBGGLM-DXIQSLLYSA-N	1	0	365.477	1.297	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)[C@H]4C[C@H]5C[C@H]5C4)C[C@]3(C)C2)C1=O	ZINC001091941207	953794187	/nfs/dbraw/zinc/79/41/87/953794187.db2.gz	BGXJJHQMCOCOQL-OTSZFGKSSA-N	1	0	357.498	1.600	20	30		FDEDRO
C=CC1(CC(=O)N[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@H]2O)CCCCC1	ZINC001196859999	971964386	/nfs/dbraw/zinc/96/43/86/971964386.db2.gz	FBDHBBLZHZDOCV-QZTJIDSGSA-N	1	0	360.502	1.651	20	30		FDEDRO
C[C@]12CN(C(=O)c3c[nH]c(=O)cn3)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001091960548	953864572	/nfs/dbraw/zinc/86/45/72/953864572.db2.gz	HJGYTWKNZBKROL-UTKZUKDTSA-N	1	0	362.433	1.216	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@H]3C[N@@H+]([C@H]4CCN(CC)C4=O)C[C@@]3(C)C2)c1	ZINC001091997516	953915759	/nfs/dbraw/zinc/91/57/59/953915759.db2.gz	IEEYHBSWAQEURN-LQWHRVPQSA-N	1	0	366.465	1.078	20	30		FDEDRO
C[C@]12CN(C(=O)[C@@]3(C)CCNC3=O)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2	ZINC001092008383	953951109	/nfs/dbraw/zinc/95/11/09/953951109.db2.gz	JJHHKOJJLHFTAX-QMMLZNLJSA-N	1	0	366.465	1.365	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)CN3C(=O)Cc4ccccc43)C[C@]2(C)C1	ZINC001092047617	954029949	/nfs/dbraw/zinc/02/99/49/954029949.db2.gz	HYAJANYHZGHNLH-UTKZUKDTSA-N	1	0	351.450	1.379	20	30		FDEDRO
C[C@]12CN(C(=O)CCc3cn[nH]n3)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2	ZINC001092028468	954124373	/nfs/dbraw/zinc/12/43/73/954124373.db2.gz	QGAPUNUUVXJWCQ-NQIIRXRSSA-N	1	0	363.465	1.569	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cnc(C)cn3)C[C@@]2(C)C1	ZINC001092031177	954132586	/nfs/dbraw/zinc/13/25/86/954132586.db2.gz	NHQCXJSSRLUVPY-LBKNJMOBSA-N	1	0	356.470	1.656	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cn(C)nc3C(F)(F)F)C[C@]2(C)C1	ZINC001092051883	954143137	/nfs/dbraw/zinc/14/31/37/954143137.db2.gz	RYCDFOHETIEAOY-WBMJQRKESA-N	1	0	354.376	1.856	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@H]3C[N@@H+](Cc4oc(C)nc4C)C[C@@]3(C)C2)nn1	ZINC001092079758	954227228	/nfs/dbraw/zinc/22/72/28/954227228.db2.gz	WCDOBGPIDVZCBE-BEFAXECRSA-N	1	0	370.457	1.663	20	30		FDEDRO
C=CCCn1cc(C(=O)N2C[C@H]3C[N@@H+](Cc4cnn(C)c4)C[C@@]3(C)C2)nn1	ZINC001092085320	954235530	/nfs/dbraw/zinc/23/55/30/954235530.db2.gz	HQFXQXAAQNQJCO-APWZRJJASA-N	1	0	369.473	1.182	20	30		FDEDRO
C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C3(S(C)(=O)=O)CCCC3)C[C@]2(C)C1	ZINC001092096946	954283899	/nfs/dbraw/zinc/28/38/99/954283899.db2.gz	KUWHZLHBXARAPR-WBVHZDCISA-N	1	0	354.516	1.700	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)Cc4ccco4)C[C@]3(C)C2)C1=O	ZINC001092118393	954357201	/nfs/dbraw/zinc/35/72/01/954357201.db2.gz	JEULEXPXUIZVNE-SYNHAJSKSA-N	1	0	357.454	1.389	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cn(C4CCOCC4)nn3)C[C@]2(C)C1	ZINC001092179857	954470547	/nfs/dbraw/zinc/47/05/47/954470547.db2.gz	NKYLPEOXPNHKHR-BEFAXECRSA-N	1	0	357.458	1.047	20	30		FDEDRO
C[C@]12CN(C(=O)Cc3nnc[nH]3)C[C@H]1C[N@H+](CC#Cc1ccc(F)cc1)C2	ZINC001092181356	954474159	/nfs/dbraw/zinc/47/41/59/954474159.db2.gz	HDCGBZNCDXQDIZ-UZLBHIALSA-N	1	0	367.428	1.318	20	30		FDEDRO
CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cccc(C(=O)N(C)C)c3)C[C@]2(C)C1	ZINC001092208136	954610768	/nfs/dbraw/zinc/61/07/68/954610768.db2.gz	WGDDPPWWGJKAAV-NQIIRXRSSA-N	1	0	353.466	1.806	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+](Cc4conc4C)C[C@@]3(C)C2)cn1	ZINC001092212032	954620591	/nfs/dbraw/zinc/62/05/91/954620591.db2.gz	ZPUJQOQNSNWHQB-XLIONFOSSA-N	1	0	350.422	1.953	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)Cn3c4ccccc4oc3=O)C[C@]2(C)C1	ZINC001092267198	954636415	/nfs/dbraw/zinc/63/64/15/954636415.db2.gz	NFIRRYRVNUCMGN-QRWLVFNGSA-N	1	0	353.422	1.398	20	30		FDEDRO
C[C@]12CN(C(=O)Cn3cncn3)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2	ZINC001092256834	954718884	/nfs/dbraw/zinc/71/88/84/954718884.db2.gz	VWSKSDAYYVSDBT-MJGOQNOKSA-N	1	0	350.426	1.130	20	30		FDEDRO
C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccnc(-n4cncn4)c3)C[C@]2(C)C1	ZINC001092318528	954826923	/nfs/dbraw/zinc/82/69/23/954826923.db2.gz	CYNYZMQULWUPBV-APWZRJJASA-N	1	0	350.426	1.080	20	30		FDEDRO
CCc1nc(C#N)cc(N2C[C@@H]3CN(C(=O)C[NH+](CC)CC)C[C@]3(C)C2)n1	ZINC001092289903	954878949	/nfs/dbraw/zinc/87/89/49/954878949.db2.gz	PBYFYWWEYFYMLG-QRWLVFNGSA-N	1	0	370.501	1.537	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1CNC(=O)C[NH+]1CCC(C)CC1	ZINC001092394136	954996882	/nfs/dbraw/zinc/99/68/82/954996882.db2.gz	YCYMYXDRYPWQAY-SJLPKXTDSA-N	1	0	355.486	1.874	20	30		FDEDRO
C#CCCN1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1nccn12	ZINC001092372766	955046152	/nfs/dbraw/zinc/04/61/52/955046152.db2.gz	MYJJGAKVOXJZHX-GVDBMIGSSA-N	1	0	355.486	1.209	20	30		FDEDRO
Cc1nsc(N2C[C@@H](CNC(=O)C[N@@H+]3CCC[C@@H]3C)[C@H](C)C2)c1C#N	ZINC001092444308	955114731	/nfs/dbraw/zinc/11/47/31/955114731.db2.gz	AUICUFAPNCALKM-VNHYZAJKSA-N	1	0	361.515	1.996	20	30		FDEDRO
CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C	ZINC001092411576	955139347	/nfs/dbraw/zinc/13/93/47/955139347.db2.gz	JTUUSSRUIFWHLA-KFWWJZLASA-N	1	0	362.453	1.217	20	30		FDEDRO
CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1C	ZINC001092411917	955140238	/nfs/dbraw/zinc/14/02/38/955140238.db2.gz	UILXKAWBFYTDCC-DJIMGWMZSA-N	1	0	361.465	1.822	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3cccc(C)n3)[C@H](C)C2)C1=O	ZINC001092473510	955214362	/nfs/dbraw/zinc/21/43/62/955214362.db2.gz	NMHOTNQMZAIBKJ-QGPMSJSTSA-N	1	0	356.470	1.475	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3n[nH]c(C)c3C)[C@H](C)C2)C1=O	ZINC001092514263	955297643	/nfs/dbraw/zinc/29/76/43/955297643.db2.gz	CAJYLDNNJWYXJJ-WQVCFCJDSA-N	1	0	359.474	1.111	20	30		FDEDRO
Cc1c(C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2C)nnn1C	ZINC001092518625	955304232	/nfs/dbraw/zinc/30/42/32/955304232.db2.gz	SKFFDOCUPAJPGD-MLGOLLRUSA-N	1	0	370.432	1.632	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CN(c2nccnc2C#N)C[C@H]1C	ZINC001092548005	955389782	/nfs/dbraw/zinc/38/97/82/955389782.db2.gz	OSPVXHWLYZKXOV-NUJGCVRESA-N	1	0	370.501	1.800	20	30		FDEDRO
COc1cncc(C[N@H+]2C[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)n1	ZINC001092551247	955402754	/nfs/dbraw/zinc/40/27/54/955402754.db2.gz	SILBFMSZIGKWMC-CHWSQXEVSA-N	1	0	354.414	1.183	20	30		FDEDRO
C[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC001092551329	955402849	/nfs/dbraw/zinc/40/28/49/955402849.db2.gz	WYZAXZVQKQYPLU-RBSFLKMASA-N	1	0	357.458	1.100	20	30		FDEDRO
C[C@@H]1C[N@@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC001092551360	955403221	/nfs/dbraw/zinc/40/32/21/955403221.db2.gz	YOEKTGFIEMSYSY-CPUCHLNUSA-N	1	0	371.485	1.583	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)c1cnn(C)c1N	ZINC001092558126	955443386	/nfs/dbraw/zinc/44/33/86/955443386.db2.gz	KSGUTFVODHKHOR-CZUORRHYSA-N	1	0	352.442	1.372	20	30		FDEDRO
COc1ccc(C[N@H+]2C[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)cn1	ZINC001092530721	955488882	/nfs/dbraw/zinc/48/88/82/955488882.db2.gz	JXDVAGBEOIBMBM-CZUORRHYSA-N	1	0	353.426	1.788	20	30		FDEDRO
COc1nccc(C[N@H+]2C[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)n1	ZINC001092532185	955496132	/nfs/dbraw/zinc/49/61/32/955496132.db2.gz	PPAKHBWTGMEJJJ-TZMCWYRMSA-N	1	0	354.414	1.183	20	30		FDEDRO
C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1	ZINC001092532625	955499025	/nfs/dbraw/zinc/49/90/25/955499025.db2.gz	KZKNADYULUQNMW-NVXWUHKLSA-N	1	0	355.486	1.874	20	30		FDEDRO
CCn1nncc1C(=O)NC[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C	ZINC001092588650	955561266	/nfs/dbraw/zinc/56/12/66/955561266.db2.gz	IEHDVHJLVPRASY-SJLPKXTDSA-N	1	0	351.454	1.647	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@H](C)N1CCCN(C(=O)[C@H]2OCC[C@H]2C)CC1	ZINC001197187797	972113845	/nfs/dbraw/zinc/11/38/45/972113845.db2.gz	MQBPUKYCVDSVPT-SQNIBIBYSA-N	1	0	365.518	1.759	20	30		FDEDRO
C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2cnn(CCOC)c2C)[C@H](C)C1	ZINC001092603730	955634745	/nfs/dbraw/zinc/63/47/45/955634745.db2.gz	JAUVCJKTEIAWLU-IUODEOHRSA-N	1	0	354.882	1.888	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CCNC(=O)C12CCC[NH+]1CCC2	ZINC001092604443	955638299	/nfs/dbraw/zinc/63/82/99/955638299.db2.gz	BHDQSAWPHMWUEC-HZPDHXFCSA-N	1	0	368.485	1.555	20	30		FDEDRO
C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CCNC(=O)C12CCC[NH+]1CCC2	ZINC001092605107	955643554	/nfs/dbraw/zinc/64/35/54/955643554.db2.gz	ZJOQEAKGLODQDO-HZPDHXFCSA-N	1	0	368.485	1.555	20	30		FDEDRO
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CCNC(=O)C1(C[NH+](C)C)CC1	ZINC001092574748	955694591	/nfs/dbraw/zinc/69/45/91/955694591.db2.gz	YWZVFBCKGDEJTA-HUUCEWRRSA-N	1	0	356.474	1.269	20	30		FDEDRO
C[C@@H]1CC[N@H+](CC(=O)NCC[C@@H]2CN(c3cnc(C#N)cn3)C[C@H]2C)C1	ZINC001092584108	955730042	/nfs/dbraw/zinc/73/00/42/955730042.db2.gz	HJIXCYDIICNKBQ-BZUAXINKSA-N	1	0	356.474	1.269	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)NCC[C@@H]2CN(c3cnc(C#N)cn3)C[C@H]2C)C1	ZINC001092584107	955730264	/nfs/dbraw/zinc/73/02/64/955730264.db2.gz	HJIXCYDIICNKBQ-ARFHVFGLSA-N	1	0	356.474	1.269	20	30		FDEDRO
C[C@H]1CC[N@H+](CC(=O)NCC[C@@H]2CN(c3cncc(C#N)n3)C[C@H]2C)C1	ZINC001092584229	955731350	/nfs/dbraw/zinc/73/13/50/955731350.db2.gz	LJCGVUYXKLSXDM-ARFHVFGLSA-N	1	0	356.474	1.269	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNc2nc(C)cc(C#N)n2)C1	ZINC001092620107	955849843	/nfs/dbraw/zinc/84/98/43/955849843.db2.gz	XFARMTLMRIVQEV-GDBMZVCRSA-N	1	0	358.490	1.895	20	30		FDEDRO
C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CC(=O)N(CC(C)C)C2)[C@H](C)C1	ZINC001092656888	955916795	/nfs/dbraw/zinc/91/67/95/955916795.db2.gz	LPCMXRGTIKWRGH-VNQPRFMTSA-N	1	0	355.910	1.928	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)[C@@H]1CCCNC1=O	ZINC001092699112	956079288	/nfs/dbraw/zinc/07/92/88/956079288.db2.gz	CZYVWFRHIKGDJA-SZVBFZGTSA-N	1	0	371.456	1.388	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)[C@H](C)C1	ZINC001092725412	956106352	/nfs/dbraw/zinc/10/63/52/956106352.db2.gz	IYDXPTCBZUDVDM-TUVASFSCSA-N	1	0	364.408	1.983	20	30		FDEDRO
C[NH+](C)[C@@H](C(=O)NC[C@]12CCC[C@H]1N(c1cncc(C#N)n1)CC2)C1CC1	ZINC001092705302	956117072	/nfs/dbraw/zinc/11/70/72/956117072.db2.gz	YVCYRZZINCDIOO-YVWKXTFCSA-N	1	0	368.485	1.554	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)c1cnc[nH]c1=O	ZINC001092711304	956143864	/nfs/dbraw/zinc/14/38/64/956143864.db2.gz	SHLUYKJLOSNKJD-CZUORRHYSA-N	1	0	351.410	1.552	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cc3n(n2)CCC3)C[C@H]1C	ZINC001092688850	956193155	/nfs/dbraw/zinc/19/31/55/956193155.db2.gz	CVBOJUMOKXVIIW-HLIPFELVSA-N	1	0	369.513	1.111	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1C	ZINC001092689548	956196314	/nfs/dbraw/zinc/19/63/14/956196314.db2.gz	LUZVWAWJQNAWOR-RLLQIKCJSA-N	1	0	361.530	1.585	20	30		FDEDRO
CCN1CCOC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C	ZINC001092754926	956282553	/nfs/dbraw/zinc/28/25/53/956282553.db2.gz	SZZGWROQTKBKKS-NSISKUIASA-N	1	0	370.497	1.463	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2ccccc2OCC(N)=O)[C@H](C)C1	ZINC001092802546	956359320	/nfs/dbraw/zinc/35/93/20/956359320.db2.gz	VMFADBMBXGTQCV-TZMCWYRMSA-N	1	0	365.861	1.601	20	30		FDEDRO
N#Cc1nccc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCCCC2)C3)n1	ZINC001092844730	956478572	/nfs/dbraw/zinc/47/85/72/956478572.db2.gz	MSRZEOWBRODMLI-PMPSAXMXSA-N	1	0	354.458	1.450	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@H]2C)cc1	ZINC001092876769	956624308	/nfs/dbraw/zinc/62/43/08/956624308.db2.gz	LCAVCOKQKUHIFN-VQIMIIECSA-N	1	0	350.466	1.942	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2COCCN2CC(F)F)[C@H](C)C1	ZINC001092856205	956703608	/nfs/dbraw/zinc/70/36/08/956703608.db2.gz	YGJDRGOKOYZVAD-BNOWGMLFSA-N	1	0	365.852	1.389	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(N3CCOCC3)CCC2)C1	ZINC001197326513	972208509	/nfs/dbraw/zinc/20/85/09/972208509.db2.gz	CNMKTLFJVXLESZ-QZTJIDSGSA-N	1	0	365.518	1.149	20	30		FDEDRO
Cc1cc(C#N)nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C3)n1	ZINC001092920733	956789393	/nfs/dbraw/zinc/78/93/93/956789393.db2.gz	MYLZWSZGJXDTIL-IKGGRYGDSA-N	1	0	370.501	1.861	20	30		FDEDRO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3ccn(C)c3C)[C@H](C)C2)C1=O	ZINC001092945988	956872301	/nfs/dbraw/zinc/87/23/01/956872301.db2.gz	LLEIFIQLWQFAHW-QGPMSJSTSA-N	1	0	358.486	1.418	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)c1cccc(=O)n1C	ZINC001092954087	956891312	/nfs/dbraw/zinc/89/13/12/956891312.db2.gz	GDFLGDFZOXQJOI-CRAIPNDOSA-N	1	0	364.449	1.755	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@@H]2C[N@H+]([C@H](C)C(=O)NC3CC3)C[C@H]2C)c1	ZINC001092954332	956892683	/nfs/dbraw/zinc/89/26/83/956892683.db2.gz	TWPNZPDJBRXNSD-CKEIUWERSA-N	1	0	354.454	1.028	20	30		FDEDRO
C=C1CCC(C(=O)NC[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]2C)CC1	ZINC001092935171	956953873	/nfs/dbraw/zinc/95/38/73/956953873.db2.gz	SJVMDFGNPDVSRY-NVXWUHKLSA-N	1	0	361.486	1.566	20	30		FDEDRO
Cc1cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)c(C#N)cn1	ZINC001092994573	957081817	/nfs/dbraw/zinc/08/18/17/957081817.db2.gz	QVDNCBBBEHPGEI-ZACQAIPSSA-N	1	0	357.458	1.066	20	30		FDEDRO
CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncc(C#N)cc1F)[NH+](C)C	ZINC001092995836	957087283	/nfs/dbraw/zinc/08/72/83/957087283.db2.gz	KDDAPZSQQXHWGI-MXASKKJJSA-N	1	0	359.449	1.904	20	30		FDEDRO
CCc1nc(C#N)cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C3)n1	ZINC001093022741	957158748	/nfs/dbraw/zinc/15/87/48/957158748.db2.gz	BMGYVQDRHUOWRO-OAFZBRQQSA-N	1	0	368.485	1.477	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3cnc(C)cn3)C[C@H]2C)nn1	ZINC001093035297	957253780	/nfs/dbraw/zinc/25/37/80/957253780.db2.gz	WVRXFMPOPIXGSY-UKRRQHHQSA-N	1	0	355.446	1.060	20	30		FDEDRO
C=CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@H]2C)nn1	ZINC001093039898	957263623	/nfs/dbraw/zinc/26/36/23/957263623.db2.gz	BUYIPYRKFPIECV-HZPDHXFCSA-N	1	0	371.489	1.128	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)c1ncccn1	ZINC001093072268	957327796	/nfs/dbraw/zinc/32/77/96/957327796.db2.gz	TXXIXOOKFHAUBW-CZUORRHYSA-N	1	0	353.401	1.985	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)c3ccc(OC)o3)[C@H](C)C2)C1=O	ZINC001093080276	957349192	/nfs/dbraw/zinc/34/91/92/957349192.db2.gz	VYJJZUNKOWGQQN-KFWWJZLASA-N	1	0	361.442	1.373	20	30		FDEDRO
CC[C@@H](C(=O)N[C@]12CCC[C@H]1CN(c1cnc(C#N)cn1)C2)[NH+](CC)CC	ZINC001093103646	957436047	/nfs/dbraw/zinc/43/60/47/957436047.db2.gz	LKNQZHHRHFPQLG-KNBMTAEXSA-N	1	0	370.501	1.944	20	30		FDEDRO
CC[C@@H](C(=O)N[C@]12CCC[C@H]1CN(c1ncc(C#N)cc1F)C2)[NH+](C)C	ZINC001093091440	957536317	/nfs/dbraw/zinc/53/63/17/957536317.db2.gz	ZMCHJDDWYXWBBN-QOKNQOGYSA-N	1	0	359.449	1.908	20	30		FDEDRO
CC[N@H+](C)CCC(=O)N[C@@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@H]1O	ZINC001197527693	972276034	/nfs/dbraw/zinc/27/60/34/972276034.db2.gz	CVEDEHWSYKCFEZ-QZTJIDSGSA-N	1	0	363.889	1.195	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCS(=O)(=O)N(C)C)C2	ZINC001110140597	957581451	/nfs/dbraw/zinc/58/14/51/957581451.db2.gz	GBTKOZMYUGSFEJ-FZKCQIBNSA-N	1	0	357.520	1.344	20	30		FDEDRO
C=C(Br)CN1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1	ZINC001093133212	957617976	/nfs/dbraw/zinc/61/79/76/957617976.db2.gz	WDAKNDIFUNQNPV-TZMCWYRMSA-N	1	0	356.308	1.675	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3c(C)nnn3CC)C[C@H]2C)nc1	ZINC001093138292	957632572	/nfs/dbraw/zinc/63/25/72/957632572.db2.gz	WFEJTOQQPQIHSW-RHSMWYFYSA-N	1	0	366.469	1.481	20	30		FDEDRO
C#CCOc1ncccc1C(=O)NC[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H]1C	ZINC001093143692	957643249	/nfs/dbraw/zinc/64/32/49/957643249.db2.gz	WUGDEPMUIPBACX-HZPDHXFCSA-N	1	0	367.453	1.325	20	30		FDEDRO
C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2cccc(-n3cnnn3)c2)[C@H](C)C1	ZINC001093190750	957743081	/nfs/dbraw/zinc/74/30/81/957743081.db2.gz	JUYLJBHFIMOOJV-IUODEOHRSA-N	1	0	360.849	1.713	20	30		FDEDRO
C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)c1c[nH]c(C(N)=O)c1	ZINC001093198049	957767295	/nfs/dbraw/zinc/76/72/95/957767295.db2.gz	ASKICOKPFQWPMX-CRAIPNDOSA-N	1	0	364.449	1.463	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)c1ccn(C)n1	ZINC001093197665	957767384	/nfs/dbraw/zinc/76/73/84/957767384.db2.gz	ZLFZPWAQLRJOIW-CZUORRHYSA-N	1	0	355.417	1.929	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@@H]1CCCN1C(N)=O	ZINC001093256730	957884510	/nfs/dbraw/zinc/88/45/10/957884510.db2.gz	JLRGYIGCNBVHOV-OLMNPRSZSA-N	1	0	369.469	1.285	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3cnc(C)cn3)C[C@H]2C)C1=O	ZINC001093270426	957918501	/nfs/dbraw/zinc/91/85/01/957918501.db2.gz	IFFNPTLUOMNHGN-DJIMGWMZSA-N	1	0	371.485	1.260	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3nccc(C)n3)C[C@H]2C)C1=O	ZINC001093273645	957942950	/nfs/dbraw/zinc/94/29/50/957942950.db2.gz	DCCCXGCGIZENQG-DJIMGWMZSA-N	1	0	371.485	1.260	20	30		FDEDRO
C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC000962016301	1013163388	/nfs/dbraw/zinc/16/33/88/1013163388.db2.gz	KDPGLZFCNUOSJW-OCBLOMHFSA-N	1	0	368.481	1.614	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H]3CCCN(C)C3=O)C2)cc1	ZINC001093281787	957960284	/nfs/dbraw/zinc/96/02/84/957960284.db2.gz	VBRJPAJWJXBNIB-NSISKUIASA-N	1	0	367.493	1.977	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)c3[nH]cnc3C)C[C@H]2C)C1=O	ZINC001093291681	957987316	/nfs/dbraw/zinc/98/73/16/957987316.db2.gz	NCTGUCFYLVHATC-FVQBIDKESA-N	1	0	359.474	1.193	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc(C(N)=O)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093452365	958042184	/nfs/dbraw/zinc/04/21/84/958042184.db2.gz	HTADGSVRLZILNH-WIRSXHRWSA-N	1	0	371.481	1.551	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc(=O)[nH]n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093429155	958049254	/nfs/dbraw/zinc/04/92/54/958049254.db2.gz	ZGMPJCPDWCZXMT-LFEHRJTNSA-N	1	0	360.458	1.338	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnns3)[C@H]2C(C)C)C[C@H]1O	ZINC001093432654	958058305	/nfs/dbraw/zinc/05/83/05/958058305.db2.gz	DWSFQWLFESPCCH-HLSYRSCKSA-N	1	0	370.906	1.870	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc(Cl)cn1)C2	ZINC001110145173	958058884	/nfs/dbraw/zinc/05/88/84/958058884.db2.gz	KXBMTOLOHZAVGJ-PMPSAXMXSA-N	1	0	352.866	1.851	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnnc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452388	958060610	/nfs/dbraw/zinc/06/06/10/958060610.db2.gz	HYWLLSFLNRZYHL-SOAMZJECSA-N	1	0	358.486	1.941	20	30		FDEDRO
CC(C)[C@@H]1N(C(=O)C23CCC[NH+]2CCC3)C[C@]12C[C@@H](O)[C@H](NCC#N)C2	ZINC001093452436	958090114	/nfs/dbraw/zinc/09/01/14/958090114.db2.gz	IVKFNCLZVUFWFU-VXNCWWDNSA-N	1	0	360.502	1.104	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(C)(C)O)[C@@H]2C(C)C)C[C@H]1O	ZINC001093446937	958097398	/nfs/dbraw/zinc/09/73/98/958097398.db2.gz	OAPGBBDGIVYOAR-SZXPJGKVSA-N	1	0	358.910	1.866	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(Cl)cnn3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093447088	958097701	/nfs/dbraw/zinc/09/77/01/958097701.db2.gz	QRYHNJBOQZEMPO-GZOSKZMVSA-N	1	0	366.893	1.839	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(c4ccccn4)CC3)[C@H]2C(C)C)C[C@H]1O	ZINC001093447271	958098792	/nfs/dbraw/zinc/09/87/92/958098792.db2.gz	UJWYJSACZSTBJW-REHHDOPLSA-N	1	0	367.493	1.713	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C)nc(C)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093447809	958102906	/nfs/dbraw/zinc/10/29/06/958102906.db2.gz	ADOVJVLCIRHTKT-ANTGDGSKSA-N	1	0	355.482	1.911	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnn4c3CCC4)[C@H]2C(C)C)C[C@H]1O	ZINC001093448002	958104356	/nfs/dbraw/zinc/10/43/56/958104356.db2.gz	CDIQTWAVHGOCTB-LBKNJMOBSA-N	1	0	356.470	1.042	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(F)CCOCC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093448264	958107297	/nfs/dbraw/zinc/10/72/97/958107297.db2.gz	GSZPMQNJLGWYCN-YFHUEUNASA-N	1	0	352.450	1.104	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3ccnn3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093448414	958107702	/nfs/dbraw/zinc/10/77/02/958107702.db2.gz	JELBUHMSEIEJJB-IZBJGVDFSA-N	1	0	360.502	1.505	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc4cc[nH]c4c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093448516	958108519	/nfs/dbraw/zinc/10/85/19/958108519.db2.gz	AAWRYKXNGVQBQA-XCJLJZCSSA-N	1	0	366.465	1.776	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccnn3CCC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093448493	958109080	/nfs/dbraw/zinc/10/90/80/958109080.db2.gz	KMTHKXAPWOBQOD-DLVXIWMQSA-N	1	0	358.486	1.506	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cn(C)nc3C3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093448651	958110373	/nfs/dbraw/zinc/11/03/73/958110373.db2.gz	KVTUCKFBHLAXAI-VGUOSERISA-N	1	0	370.497	1.510	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc(CC)n3)[C@H]2C(C)C)C[C@H]1O	ZINC001093449465	958116089	/nfs/dbraw/zinc/11/60/89/958116089.db2.gz	HHUNNGMHCAZJAF-BNDYYXHWSA-N	1	0	355.482	1.857	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)COc3cc(C)on3)[C@H]2C(C)C)C[C@H]1O	ZINC001093449402	958116230	/nfs/dbraw/zinc/11/62/30/958116230.db2.gz	GOXAJHKNQUQMNN-VVWQDTPRSA-N	1	0	363.458	1.514	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccn3CC=C)[C@H]2C(C)C)C[C@H]1O	ZINC001093450926	958128126	/nfs/dbraw/zinc/12/81/26/958128126.db2.gz	PUGXGFZJMHLJSO-RBAQFSTRSA-N	1	0	355.482	1.887	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncc(F)cc3F)[C@H]2C(C)C)C[C@H]1O	ZINC001093451084	958129734	/nfs/dbraw/zinc/12/97/34/958129734.db2.gz	QSXJXXBRTRFVMI-RRIFGTCXSA-N	1	0	363.408	1.573	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc4n[nH]cc4c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093451528	958132374	/nfs/dbraw/zinc/13/23/74/958132374.db2.gz	VFFVCLFWTOILBJ-VIPLHTEESA-N	1	0	369.469	1.724	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn(C)nc3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001093451522	958132392	/nfs/dbraw/zinc/13/23/92/958132392.db2.gz	VDVCTJPAGKHHSZ-XSYGEPLQSA-N	1	0	358.486	1.195	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3cnccc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093451457	958132880	/nfs/dbraw/zinc/13/28/80/958132880.db2.gz	ULYXJSBIUSIMJW-UKAVVXHISA-N	1	0	355.482	1.532	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccnc(OC)c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452062	958137244	/nfs/dbraw/zinc/13/72/44/958137244.db2.gz	CEEBLHUTYCYXQQ-CIWUYKSXSA-N	1	0	357.454	1.303	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cn[nH]c(=O)c3)[C@H]2C(C)C)C[C@H]1O	ZINC001093451861	958137255	/nfs/dbraw/zinc/13/72/55/958137255.db2.gz	ZLIXZVUGCTUAEL-RRIFGTCXSA-N	1	0	360.458	1.338	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc4ccccn43)[C@@H]2C(C)C)C[C@H]1O	ZINC001093452149	958138453	/nfs/dbraw/zinc/13/84/53/958138453.db2.gz	DJRRGSBQTYVZBT-WELBPKCISA-N	1	0	366.465	1.547	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(Cl)n(C)n3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093459624	958183865	/nfs/dbraw/zinc/18/38/65/958183865.db2.gz	VEEUNNQNLPFTDR-SZXPJGKVSA-N	1	0	364.877	1.286	20	30		FDEDRO
C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3cnoc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093460787	958190537	/nfs/dbraw/zinc/19/05/37/958190537.db2.gz	XOTGEAGEFVYYEI-JOCBIADPSA-N	1	0	367.877	1.936	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)nc[nH]c3=O)[C@H]2C(C)C)C[C@H]1O	ZINC001093460737	958191163	/nfs/dbraw/zinc/19/11/63/958191163.db2.gz	XCWKGLGGSMPIKD-ZLHSVIROSA-N	1	0	360.458	1.256	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3nccc3C)[C@@H]2C(C)C)C[C@H]1O	ZINC001093465704	958204864	/nfs/dbraw/zinc/20/48/64/958204864.db2.gz	JEMCUPMGTHEXMV-HNBVOPMISA-N	1	0	360.502	1.734	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccn(C)c3CC)[C@@H]2C(C)C)C[C@H]1O	ZINC001093467350	958213237	/nfs/dbraw/zinc/21/32/37/958213237.db2.gz	UZWJCGFRLWMSDP-XLBJILASSA-N	1	0	357.498	1.800	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccn(C)c3CC)[C@H]2C(C)C)C[C@H]1O	ZINC001093467348	958213604	/nfs/dbraw/zinc/21/36/04/958213604.db2.gz	UZWJCGFRLWMSDP-RDPOXOKHSA-N	1	0	357.498	1.800	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc4nncn4c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093467623	958215952	/nfs/dbraw/zinc/21/59/52/958215952.db2.gz	UUAJRRBBLWBROR-QQTQMKHKSA-N	1	0	369.469	1.495	20	30		FDEDRO
C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3cn[nH]c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093469468	958222009	/nfs/dbraw/zinc/22/20/09/958222009.db2.gz	GHSCZBQIRGTZKI-HNBVOPMISA-N	1	0	360.502	1.885	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3conc3COC)[C@H]2C(C)C)C[C@H]1O	ZINC001093472372	958238808	/nfs/dbraw/zinc/23/88/08/958238808.db2.gz	KRWWZPMQQFVITB-NWGLXNPWSA-N	1	0	363.458	1.587	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH]nc3C3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093472665	958240489	/nfs/dbraw/zinc/24/04/89/958240489.db2.gz	MEEXQJVEIRJEEN-QQTQMKHKSA-N	1	0	356.470	1.500	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccc(OC)cc3)[C@H]2C(C)C)C[C@H]1O	ZINC001093475082	958251637	/nfs/dbraw/zinc/25/16/37/958251637.db2.gz	WIRPAZDSZCJCBR-WKDRNLAYSA-N	1	0	370.493	1.837	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc(C(N)=O)cc3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093476602	958255725	/nfs/dbraw/zinc/25/57/25/958255725.db2.gz	CWTNXQJLYNZIML-NEYJZJCJSA-N	1	0	371.481	1.551	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(OC)ccn3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093454272	958266469	/nfs/dbraw/zinc/26/64/69/958266469.db2.gz	BELKCJSREOSOGV-SOAMZJECSA-N	1	0	357.454	1.303	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc(OC)ccn3)[C@H]2C(C)C)C[C@H]1O	ZINC001093454273	958267159	/nfs/dbraw/zinc/26/71/59/958267159.db2.gz	BELKCJSREOSOGV-XSYGEPLQSA-N	1	0	357.454	1.303	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccn4ccnc4c3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093457728	958281155	/nfs/dbraw/zinc/28/11/55/958281155.db2.gz	KZUVHJWBGQPSOE-ZJSJBZJDSA-N	1	0	366.465	1.547	20	30		FDEDRO
C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c(C)n[nH]c3C)[C@H]2C(C)C)C[C@H]1O	ZINC001093477713	958289545	/nfs/dbraw/zinc/28/95/45/958289545.db2.gz	LEIBKTUQAMGUIV-IZBJGVDFSA-N	1	0	360.502	1.721	20	30		FDEDRO
C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cncnc3C3CC3)[C@@H]2C(C)C)C[C@H]1O	ZINC001093477982	958291686	/nfs/dbraw/zinc/29/16/86/958291686.db2.gz	OPMPWJIECGXUGY-VGUOSERISA-N	1	0	368.481	1.567	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001093620707	958352477	/nfs/dbraw/zinc/35/24/77/958352477.db2.gz	PBLCGCNPTYNJMY-IUODEOHRSA-N	1	0	369.400	1.691	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001093620871	958352819	/nfs/dbraw/zinc/35/28/19/958352819.db2.gz	YAXHDKQYQXRVNK-IUODEOHRSA-N	1	0	369.400	1.691	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2c(Br)cnn2C)[C@H](C)C1	ZINC001093677862	958529963	/nfs/dbraw/zinc/52/99/63/958529963.db2.gz	FVNDKMXRPWSGKU-QJPTWQEYSA-N	1	0	368.279	1.526	20	30		FDEDRO
C[C@H](C#N)C(=O)N1C[C@@H](C[NH2+]Cc2cc(-c3cnn(C)c3)no2)[C@H](C)C1	ZINC001093679755	958535118	/nfs/dbraw/zinc/53/51/18/958535118.db2.gz	ZRQHZTDZMBVJHF-MGPQQGTHSA-N	1	0	356.430	1.419	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3ncccc3C)C[C@H]2C)C1=O	ZINC001093704092	958537807	/nfs/dbraw/zinc/53/78/07/958537807.db2.gz	WLAOCUTUARGZAF-BRWVUGGUSA-N	1	0	356.470	1.475	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001093691224	958554174	/nfs/dbraw/zinc/55/41/74/958554174.db2.gz	NTJGTZVUENMQCE-CKEIUWERSA-N	1	0	362.499	1.134	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1nnc(C2CC2)n1C	ZINC001093699518	958565729	/nfs/dbraw/zinc/56/57/29/958565729.db2.gz	BOKUEAKUINUSLH-IUODEOHRSA-N	1	0	367.457	1.390	20	30		FDEDRO
CCn1nnc(C)c1C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C	ZINC001093722645	958599568	/nfs/dbraw/zinc/59/95/68/958599568.db2.gz	XWFFOIMROIEZSE-TZMCWYRMSA-N	1	0	355.446	1.304	20	30		FDEDRO
C[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1C[NH2+]Cc1ccccc1C#N	ZINC001093725321	958605649	/nfs/dbraw/zinc/60/56/49/958605649.db2.gz	QUVLFHQNUVPVJP-VQIMIIECSA-N	1	0	356.470	1.075	20	30		FDEDRO
C[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2C#N)[C@H](C)C1)n1cncn1	ZINC001093725703	958608969	/nfs/dbraw/zinc/60/89/69/958608969.db2.gz	ZWIVMWNCNOUFOU-JKIFEVAISA-N	1	0	370.432	1.734	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001093741257	958660476	/nfs/dbraw/zinc/66/04/76/958660476.db2.gz	OCLCOFJXCBDKCH-RHSMWYFYSA-N	1	0	369.444	1.858	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001093741368	958662019	/nfs/dbraw/zinc/66/20/19/958662019.db2.gz	WAOLIIVGUYWCHH-RHSMWYFYSA-N	1	0	369.444	1.858	20	30		FDEDRO
Cc1nnc(CC(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)cc3F)[C@H](C)C2)o1	ZINC001093755211	958684865	/nfs/dbraw/zinc/68/48/65/958684865.db2.gz	ZZPZMIOGQVFEDJ-MLGOLLRUSA-N	1	0	371.416	1.816	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001093783013	958769545	/nfs/dbraw/zinc/76/95/45/958769545.db2.gz	WFXKYORLZXSZDW-JPUXWFAOSA-N	1	0	357.429	1.918	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cn(C)nc2C)[C@H](C)C1	ZINC001093779137	958875555	/nfs/dbraw/zinc/87/55/55/958875555.db2.gz	ZQMGKFOYPWUYGQ-OPNNQBFTSA-N	1	0	360.502	1.894	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C3CC3)[nH]2)[C@H](C)C1	ZINC001093778973	958876374	/nfs/dbraw/zinc/87/63/74/958876374.db2.gz	RQBMVKOQWNNGGY-DZUCGIPZSA-N	1	0	373.501	1.847	20	30		FDEDRO
C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C2CC2)[C@H](C)C1	ZINC001093824891	958903334	/nfs/dbraw/zinc/90/33/34/958903334.db2.gz	RITNDMKGOQXKIU-HUUCEWRRSA-N	1	0	369.473	1.493	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093833751	958930660	/nfs/dbraw/zinc/93/06/60/958930660.db2.gz	WZTUKYYDYAIWBA-RHSMWYFYSA-N	1	0	365.437	1.150	20	30		FDEDRO
CCn1nnc(C)c1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1	ZINC001093816146	959003710	/nfs/dbraw/zinc/00/37/10/959003710.db2.gz	CMTWENBNXJSCON-RDTXWAMCSA-N	1	0	366.469	1.976	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)CN1CCC([NH2+]C2CCOCC2)CC1	ZINC001197739334	972403314	/nfs/dbraw/zinc/40/33/14/972403314.db2.gz	OGLLQQXDVJQMOD-IBGZPJMESA-N	1	0	359.470	1.531	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nc(COC)no3)[C@H](C)C2)cc1	ZINC001093958868	959357734	/nfs/dbraw/zinc/35/77/34/959357734.db2.gz	JFHGLLPCWCOYNY-RHSMWYFYSA-N	1	0	368.437	1.695	20	30		FDEDRO
Cc1n[nH]nc1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)[C@H](C)C1	ZINC001093959264	959358484	/nfs/dbraw/zinc/35/84/84/959358484.db2.gz	UOPQDJWAHALGKQ-IAQYHMDHSA-N	1	0	356.405	1.622	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001093971885	959384814	/nfs/dbraw/zinc/38/48/14/959384814.db2.gz	HWVFPCFGHJRXFH-OLMNPRSZSA-N	1	0	354.454	1.363	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001093985909	959424486	/nfs/dbraw/zinc/42/44/86/959424486.db2.gz	KQTGHQMQPDQYHQ-FPDPHYFHSA-N	1	0	368.481	1.659	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+][C@H](C)c3nnc(CC)[nH]3)[C@H](C)C2)c1	ZINC001094027904	959548619	/nfs/dbraw/zinc/54/86/19/959548619.db2.gz	JSOHFFXPCJEMBZ-CKEIUWERSA-N	1	0	366.469	1.802	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3ocnc3CC)C[C@H]2C)C1=O	ZINC001094028789	959551210	/nfs/dbraw/zinc/55/12/10/959551210.db2.gz	HNKMYCXQPPAAIC-IIAWOOMASA-N	1	0	360.458	1.322	20	30		FDEDRO
C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)Cc3cccnc3C)C[C@H]2C)C1=O	ZINC001094039003	959580918	/nfs/dbraw/zinc/58/09/18/959580918.db2.gz	CWWSMISOAAELAM-ATZDWAIDSA-N	1	0	370.497	1.404	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1C[NH2+]Cc1ccc(C#N)s1	ZINC001094048227	959618192	/nfs/dbraw/zinc/61/81/92/959618192.db2.gz	PEZJEPIESJFEGE-KFZJALRRSA-N	1	0	374.510	1.528	20	30		FDEDRO
Cc1ccn(CC(=O)N2C[C@@H](C[NH2+]Cc3cccc(C#N)c3)[C@H](C)C2)n1	ZINC001094052667	959633902	/nfs/dbraw/zinc/63/39/02/959633902.db2.gz	QABLHLOSAIDECN-DNVCBOLYSA-N	1	0	351.454	1.948	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)s2)[C@H](C)C1	ZINC001094055012	959643760	/nfs/dbraw/zinc/64/37/60/959643760.db2.gz	BQRFOPDUPUMOJW-NGFQHRJXSA-N	1	0	350.488	1.622	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001094067497	959687241	/nfs/dbraw/zinc/68/72/41/959687241.db2.gz	RNSKIEIZQDXGTH-CXAGYDPISA-N	1	0	353.401	1.985	20	30		FDEDRO
C=CCn1cc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)c3cnccn3)[C@H](C)C2)nn1	ZINC001094095217	959770858	/nfs/dbraw/zinc/77/08/58/959770858.db2.gz	JYRDRSFBLHAMKV-QLFBSQMISA-N	1	0	355.446	1.313	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)cc3)[C@H](C)C2)C1	ZINC001094156281	959926300	/nfs/dbraw/zinc/92/63/00/959926300.db2.gz	JMZNCBDUFUBSHP-GPMSIDNRSA-N	1	0	368.481	1.611	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cccc(OC)n3)[C@H](C)C2)nc1	ZINC001094171792	959968995	/nfs/dbraw/zinc/96/89/95/959968995.db2.gz	DWYGXQOHKXNNDP-NVXWUHKLSA-N	1	0	364.449	1.964	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]Cc2cnoc2C)[C@H](C)C1	ZINC001094173936	959973698	/nfs/dbraw/zinc/97/36/98/959973698.db2.gz	HIQVCFQUIIUVKM-RHSMWYFYSA-N	1	0	368.437	1.888	20	30		FDEDRO
C#CCOc1ncccc1C(=O)N1C[C@@H](C[NH2+]Cc2conc2C)[C@H](C)C1	ZINC001094174048	959975090	/nfs/dbraw/zinc/97/50/90/959975090.db2.gz	PFRAAOVZHXTEME-GDBMZVCRSA-N	1	0	368.437	1.888	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+][C@@H](C)c3nnc(C)[nH]3)[C@H](C)C2)nc1	ZINC001094174420	959977286	/nfs/dbraw/zinc/97/72/86/959977286.db2.gz	IGWCOZYFUFOGDO-DVOMOZLQSA-N	1	0	352.442	1.548	20	30		FDEDRO
C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3cn(C)nc3C)[C@H](C)C2)cn1	ZINC001094175025	959979623	/nfs/dbraw/zinc/97/96/23/959979623.db2.gz	XNZCRUPFVFWDIC-RHSMWYFYSA-N	1	0	351.454	1.603	20	30		FDEDRO
C#Cc1ccccc1CC(=O)N1C[C@@H](C[NH2+]Cc2nncs2)[C@H](C)C1	ZINC001094188236	960069131	/nfs/dbraw/zinc/06/91/31/960069131.db2.gz	KDZPLLHQWJNICV-RHSMWYFYSA-N	1	0	354.479	1.946	20	30		FDEDRO
C=CCN1CC[C@H]([N@H+]2CC[C@@]3(CNC(=O)c4cccn4C)CCC[C@@H]23)C1=O	ZINC001094365681	960321667	/nfs/dbraw/zinc/32/16/67/960321667.db2.gz	NKZNMRVDENQOJH-WAOWUJCRSA-N	1	0	370.497	1.786	20	30		FDEDRO
CN(C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C#N)c[nH]3)CCC[C@@H]12)C1CC1	ZINC001094387292	960332906	/nfs/dbraw/zinc/33/29/06/960332906.db2.gz	LNQCADXYCUOOME-YLJYHZDGSA-N	1	0	369.469	1.482	20	30		FDEDRO
N#Cc1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NC2CC2)CC3)c[nH]1	ZINC001094396977	960346840	/nfs/dbraw/zinc/34/68/40/960346840.db2.gz	GNXMGVWCDYLARU-VQIMIIECSA-N	1	0	355.442	1.139	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@]3(CNC(=O)c4cocn4)CCC[C@@H]23)C1=O	ZINC001094378370	960371162	/nfs/dbraw/zinc/37/11/62/960371162.db2.gz	OGODJGDGUJFMIT-GPMSIDNRSA-N	1	0	358.442	1.436	20	30		FDEDRO
C#C[C@H](NCC(=O)NCc1c(C)nn(-c2ccccc2)c1C)[C@H]1CCCO1	ZINC000775790888	972501043	/nfs/dbraw/zinc/50/10/43/972501043.db2.gz	JSTVJOMKVPVKKB-VQTJNVASSA-N	1	0	366.465	1.876	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3nn4c(c3C)OCCC4)CCC[C@@H]12	ZINC001094429103	960431688	/nfs/dbraw/zinc/43/16/88/960431688.db2.gz	ACYKCNXSDPZZLO-OXQOHEQNSA-N	1	0	356.470	1.972	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3[nH]c(C)c(C(N)=O)c3CC)CCC[C@@H]12	ZINC001094432796	960441865	/nfs/dbraw/zinc/44/18/65/960441865.db2.gz	AYLSJPHTUGOBRO-FOIQADDNSA-N	1	0	356.470	1.592	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CNC(=O)c4ccccc43)CCC[C@@H]12	ZINC001094433558	960445302	/nfs/dbraw/zinc/44/53/02/960445302.db2.gz	QIPRIYLZJMAWCL-WOIUINJBSA-N	1	0	365.477	1.898	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4ncncc4C3)CCC[C@@H]12	ZINC001094433858	960448237	/nfs/dbraw/zinc/44/82/37/960448237.db2.gz	GSSYZXMPAWEZCZ-LDQXTDLNSA-N	1	0	352.482	1.966	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4ncncc4C3)CCC[C@@H]12	ZINC001094433967	960448313	/nfs/dbraw/zinc/44/83/13/960448313.db2.gz	LCNKNXCBYNOWPW-OZOXKJRCSA-N	1	0	352.482	1.966	20	30		FDEDRO
C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(=O)n(CCOC)n3)CCC[C@@H]12	ZINC001094464803	960463795	/nfs/dbraw/zinc/46/37/95/960463795.db2.gz	RLZYWWRBVVSENQ-VQIMIIECSA-N	1	0	360.458	1.050	20	30		FDEDRO
CCC[C@@H](NC(C)=O)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC001180978960	960479053	/nfs/dbraw/zinc/47/90/53/960479053.db2.gz	CBMFKGVUDDDINL-GOSISDBHSA-N	1	0	356.470	1.966	20	30		FDEDRO
N#Cc1cc(C[N@@H+]2CC[C@@]3(CNC(=O)c4cn[nH]n4)CCC[C@@H]23)ccc1F	ZINC001094456847	960548607	/nfs/dbraw/zinc/54/86/07/960548607.db2.gz	OOZCWDGQTXUDFY-IEBWSBKVSA-N	1	0	368.416	1.990	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(CCC(N)=O)cc3)CCC[C@@H]12	ZINC001094505490	960677912	/nfs/dbraw/zinc/67/79/12/960677912.db2.gz	OIWZJINWFJOCTE-WIYYLYMNSA-N	1	0	353.466	1.712	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2	ZINC001110158866	960684964	/nfs/dbraw/zinc/68/49/64/960684964.db2.gz	WVSDFNPTZUPKPG-FUMNGEBKSA-N	1	0	361.530	1.868	20	30		FDEDRO
C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCS(=O)(=O)C3)CCC[C@@H]12	ZINC001094528206	960728165	/nfs/dbraw/zinc/72/81/65/960728165.db2.gz	OMHDNSUGYWHJMK-JFIYKMOQSA-N	1	0	354.516	1.748	20	30		FDEDRO
C=CCn1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](C[C@H](CC)OC)CC3)nn1	ZINC001094531485	960742174	/nfs/dbraw/zinc/74/21/74/960742174.db2.gz	RWXHTMREAWLJTP-KVSKMBFKSA-N	1	0	361.490	1.864	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)CCC[C@@H]12	ZINC001094534175	960749365	/nfs/dbraw/zinc/74/93/65/960749365.db2.gz	ZLTNFXZXBVEJJB-SOAMZJECSA-N	1	0	356.470	1.282	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)c2ccccc2OC)C1	ZINC001197896914	972531947	/nfs/dbraw/zinc/53/19/47/972531947.db2.gz	YVZUPWDSWNQVJF-KBAYOESNSA-N	1	0	362.470	1.553	20	30		FDEDRO
C#C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C)[C@@H]1CCCO1	ZINC000773298040	960789358	/nfs/dbraw/zinc/78/93/58/960789358.db2.gz	KXERGYUCQVTORB-FJIDUMEYSA-N	1	0	351.491	1.603	20	30		FDEDRO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@]3(CNC(=O)c4ccnnc4)CCC[C@@H]23)C1=O	ZINC001094522171	960802672	/nfs/dbraw/zinc/80/26/72/960802672.db2.gz	GVINIFFCIHEWAN-MBOZVWFJSA-N	1	0	369.469	1.238	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2CC[C@@]3(CNC(=O)c4ccnnc4)CCC[C@@H]23)C1=O	ZINC001094522172	960803152	/nfs/dbraw/zinc/80/31/52/960803152.db2.gz	GVINIFFCIHEWAN-SQGPQFPESA-N	1	0	369.469	1.238	20	30		FDEDRO
C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCn2cncn2)CC3)nc1	ZINC001094563182	960819540	/nfs/dbraw/zinc/81/95/40/960819540.db2.gz	IDFLDQDXXJXFTR-UYAOXDASSA-N	1	0	364.453	1.329	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3nc4nc(C)cc(C)n4n3)CCC[C@@H]12	ZINC001094571366	960841439	/nfs/dbraw/zinc/84/14/39/960841439.db2.gz	HIJKTEZTLQXMCT-OXQOHEQNSA-N	1	0	366.469	1.739	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4nnc(C)n4C3)CCC[C@@H]12	ZINC001094581802	960878956	/nfs/dbraw/zinc/87/89/56/960878956.db2.gz	GBHGFOMREJLZOY-SQGPQFPESA-N	1	0	355.486	1.533	20	30		FDEDRO
C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH]nc3-c3cnn(C)c3)CCC[C@@H]12	ZINC001094557458	960910517	/nfs/dbraw/zinc/91/05/17/960910517.db2.gz	ZVIJWWSSLASXPD-VQIMIIECSA-N	1	0	352.442	1.418	20	30		FDEDRO
CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc4c([nH]c3=O)CCOC4)CCC[C@@H]12	ZINC001094557100	960910825	/nfs/dbraw/zinc/91/08/25/960910825.db2.gz	GNNLMCFSNOUUFI-WIYYLYMNSA-N	1	0	369.465	1.858	20	30		FDEDRO
C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	ZINC001171515639	961212563	/nfs/dbraw/zinc/21/25/63/961212563.db2.gz	NIAGOLSUAMPUHI-MCIONIFRSA-N	1	0	350.381	1.621	20	30		FDEDRO
C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](C1C[C@@H]3COC[C@H](C1)N3C)C2	ZINC001172136623	961478148	/nfs/dbraw/zinc/47/81/48/961478148.db2.gz	FLADYAGMJDXQAH-HLKUOHOZSA-N	1	0	350.503	1.922	20	30		FDEDRO
C[C@@H](CCCC#N)[NH+]1CCC2(CC1)CN(C(=O)c1cnccn1)CCO2	ZINC001172497539	961688653	/nfs/dbraw/zinc/68/86/53/961688653.db2.gz	CRWWCPFTJNVIAR-INIZCTEOSA-N	1	0	357.458	1.866	20	30		FDEDRO
C[C@H](CCCC#N)[N@@H+]1CCO[C@@H]2[C@H](CNC(=O)c3ccnnc3)CC[C@@H]21	ZINC001172499909	961689993	/nfs/dbraw/zinc/68/99/93/961689993.db2.gz	VKWHQDTWCOLFAY-MXSMSXNCSA-N	1	0	357.458	1.768	20	30		FDEDRO
C=CCN1CCN(C)C2(CC[NH+]([C@H]3CCC[C@H](C(=O)OC)C3)CC2)C1=O	ZINC001172620391	961697498	/nfs/dbraw/zinc/69/74/98/961697498.db2.gz	YMBBQTPXHGMNLR-IRXDYDNUSA-N	1	0	363.502	1.513	20	30		FDEDRO
C#CCN(C(=O)NCC1([NH+](C)C)CCCCCC1)[C@@H]1CCS(=O)(=O)C1	ZINC000774149028	961772910	/nfs/dbraw/zinc/77/29/10/961772910.db2.gz	KUCMONGNCOHDNV-MRXNPFEDSA-N	1	0	369.531	1.473	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCN2CCCCC2=O)C[C@H]1C#N	ZINC001172969233	961855908	/nfs/dbraw/zinc/85/59/08/961855908.db2.gz	WTEYSNCDICKTAD-CABCVRRESA-N	1	0	350.463	1.880	20	30		FDEDRO
CC(C)N1C[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1=O	ZINC001172972598	961858493	/nfs/dbraw/zinc/85/84/93/961858493.db2.gz	BENFUDQQKRJJDB-ZNMIVQPWSA-N	1	0	350.463	1.877	20	30		FDEDRO
CN(C)C(=O)C1([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CCC1	ZINC001172978226	961860294	/nfs/dbraw/zinc/86/02/94/961860294.db2.gz	NYBKKRUFWALZMS-KBPBESRZSA-N	1	0	350.463	1.879	20	30		FDEDRO
C[NH+](C)C[C@H]1CN([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CCO1	ZINC001172981586	961863878	/nfs/dbraw/zinc/86/38/78/961863878.db2.gz	XDXKSYJNYOSCLZ-PMPSAXMXSA-N	1	0	352.479	1.540	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCn2cncn2)C3)c1	ZINC001110288558	961962451	/nfs/dbraw/zinc/96/24/51/961962451.db2.gz	QZAXHBTYPPQGBG-KURKYZTESA-N	1	0	350.426	1.462	20	30		FDEDRO
C=CCOC1CCC([N@@H+]2CCC[C@@]3(CCC(=O)N3CC(=O)NC)C2)CC1	ZINC001173323964	962004908	/nfs/dbraw/zinc/00/49/08/962004908.db2.gz	KDCXTSZYAAFZPL-LBXVMSDZSA-N	1	0	363.502	1.703	20	30		FDEDRO
CCN1C[C@@]23C[N@@H+](C4CCC(CC#N)CC4)C[C@@H](C[C@@H]2S1(=O)=O)O3	ZINC001173334365	962008116	/nfs/dbraw/zinc/00/81/16/962008116.db2.gz	WZNUHGGBMQATAF-JWRYVHENSA-N	1	0	353.488	1.336	20	30		FDEDRO
N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCOCC(F)(F)F	ZINC001110301332	962070099	/nfs/dbraw/zinc/07/00/99/962070099.db2.gz	BCUYGMPKPXPZQE-UPJWGTAASA-N	1	0	365.421	1.934	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC(n3cncc3C[C@@H]([NH3+])CO)CC2)cc1	ZINC001173423698	962123507	/nfs/dbraw/zinc/12/35/07/962123507.db2.gz	BIHRHORMWYKKNV-MRXNPFEDSA-N	1	0	353.426	1.094	20	30		FDEDRO
N#Cc1ccc(C(=O)N2CCC([NH2+][C@H](CO)c3ccccn3)CC2)cc1	ZINC001173424762	962127046	/nfs/dbraw/zinc/12/70/46/962127046.db2.gz	KHSJLWURUMFUQH-LJQANCHMSA-N	1	0	350.422	1.881	20	30		FDEDRO
CC[C@H](C)[C@H]([NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1)C(=O)NO	ZINC001173428984	962143581	/nfs/dbraw/zinc/14/35/81/962143581.db2.gz	OYCOOLDZVHPWIU-GUYCJALGSA-N	1	0	358.442	1.673	20	30		FDEDRO
C=CC[N@H+]1CCC[C@H]1CNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC001182541629	962293097	/nfs/dbraw/zinc/29/30/97/962293097.db2.gz	IICYSYOXYCPRTR-HOTGVXAUSA-N	1	0	367.490	1.779	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCNC(=O)NC(C)(C)C)C1	ZINC001182669877	962380602	/nfs/dbraw/zinc/38/06/02/962380602.db2.gz	CYVGQYXAZKZCOC-OAGGEKHMSA-N	1	0	366.506	1.256	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2cn(CC)nn2)C1	ZINC001182669238	962380736	/nfs/dbraw/zinc/38/07/36/962380736.db2.gz	JKENNJKQRGJMSI-VYCZESIESA-N	1	0	361.490	1.463	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCO[C@H]2C=C)C1	ZINC001182676131	962384416	/nfs/dbraw/zinc/38/44/16/962384416.db2.gz	BRVFGJBUQZNOJC-KURKYZTESA-N	1	0	361.486	1.359	20	30		FDEDRO
C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1	ZINC001182653948	962408492	/nfs/dbraw/zinc/40/84/92/962408492.db2.gz	BSAAMXATHGVHJF-KZNAEPCWSA-N	1	0	358.486	1.547	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@@H]([NH2+]CC#Cc3ccc(F)cc3)C2)C1	ZINC001182662093	962422571	/nfs/dbraw/zinc/42/25/71/962422571.db2.gz	SFKYPTBYTPXEON-ZTFGCOKTSA-N	1	0	357.429	1.282	20	30		FDEDRO
COC(=O)[C@@H]1C[C@@H]([NH2+]CCCOc2cccc(C#N)c2)C[C@@H]1C(=O)OC	ZINC001173583982	962458749	/nfs/dbraw/zinc/45/87/49/962458749.db2.gz	YELLVIYONSLDKX-XGBSXSJOSA-N	1	0	360.410	1.658	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)N2CCC2)C1	ZINC001182869608	962615599	/nfs/dbraw/zinc/61/55/99/962615599.db2.gz	STXGJYGISJOVHA-NDUPCHFUSA-N	1	0	363.502	1.274	20	30		FDEDRO
CN1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)C1	ZINC001095266010	962724712	/nfs/dbraw/zinc/72/47/12/962724712.db2.gz	ZJIAEEMIRSKZOO-XWSJACJDSA-N	1	0	354.454	1.110	20	30		FDEDRO
C=C(C[NH+]1CCCC1)C(=O)N1CC[C@H]2O[C@H](C(=O)N3CCCC3)CC[C@H]21	ZINC001183042759	962754899	/nfs/dbraw/zinc/75/48/99/962754899.db2.gz	CTVCUGPCKQEGLH-KURKYZTESA-N	1	0	361.486	1.409	20	30		FDEDRO
C#C[C@H](NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@@H]1CCCO1	ZINC000773435030	962995396	/nfs/dbraw/zinc/99/53/96/962995396.db2.gz	GUVATGILZZKSPY-FHWLQOOXSA-N	1	0	357.454	1.233	20	30		FDEDRO
CCN(CCC#N)C(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1OCC[C@H]1C	ZINC001175334713	963154532	/nfs/dbraw/zinc/15/45/32/963154532.db2.gz	RVYYZLRZACUXNY-NUJGCVRESA-N	1	0	366.506	1.438	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1OCC[C@H]1C	ZINC001175358170	963163978	/nfs/dbraw/zinc/16/39/78/963163978.db2.gz	JIQHTWOFICEBQN-LMMKCTJWSA-N	1	0	365.518	1.877	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NC1CCCC1	ZINC001175365314	963170040	/nfs/dbraw/zinc/17/00/40/963170040.db2.gz	JEHYPYNDYMHSQU-JQHSSLGASA-N	1	0	365.518	1.901	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCN1CCCC1=O	ZINC001175654736	963257584	/nfs/dbraw/zinc/25/75/84/963257584.db2.gz	RJABWWFQCSCBIC-LNLFQRSKSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NC(C)C	ZINC001175663172	963259965	/nfs/dbraw/zinc/25/99/65/963259965.db2.gz	BHBNQIBIYNAMDK-BQFCYCMXSA-N	1	0	353.507	1.757	20	30		FDEDRO
CNC(=O)C1([NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)CCOCC1	ZINC001176185993	963381110	/nfs/dbraw/zinc/38/11/10/963381110.db2.gz	UGPJLRJDCLFBAU-UHFFFAOYSA-N	1	0	364.833	1.425	20	30		FDEDRO
C#C[C@@H](NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)[C@@H]1CCCO1	ZINC000773551327	963386711	/nfs/dbraw/zinc/38/67/11/963386711.db2.gz	ZVFUXPQFSQEVGB-MOPGFXCFSA-N	1	0	363.502	1.701	20	30		FDEDRO
N#Cc1cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)cnc1C(F)(F)F	ZINC001176543182	963455094	/nfs/dbraw/zinc/45/50/94/963455094.db2.gz	WPIQAYJUCFDPGA-QWHCGFSZSA-N	1	0	354.332	1.253	20	30		FDEDRO
CCOC(=O)C1([C@@H](C)[NH2+]CC(=O)Nc2sccc2C#N)CCOCC1	ZINC001176656682	963519551	/nfs/dbraw/zinc/51/95/51/963519551.db2.gz	KXTQVBSWKDSIKA-GFCCVEGCSA-N	1	0	365.455	1.896	20	30		FDEDRO
CCOC(=O)C1([C@H](C)[NH2+][C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CCOCC1	ZINC001176658702	963520892	/nfs/dbraw/zinc/52/08/92/963520892.db2.gz	WBLAQAQJVNAJCZ-VKJFTORMSA-N	1	0	367.490	1.767	20	30		FDEDRO
C=C(CC(=O)OCCCC)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1	ZINC001184308025	963529142	/nfs/dbraw/zinc/52/91/42/963529142.db2.gz	LFLJZXSLMFQOCW-UHFFFAOYSA-N	1	0	352.475	1.989	20	30		FDEDRO
C=CCN1CCN(C(=O)CC2(NC(=O)OC(C)(C)C)CCOCC2)CC1	ZINC001184433209	963613033	/nfs/dbraw/zinc/61/30/33/963613033.db2.gz	WLEFOLFFZAVYOA-UHFFFAOYSA-N	1	0	367.490	1.781	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCC[C@]23CCCOC3)CC1	ZINC001177007799	963641858	/nfs/dbraw/zinc/64/18/58/963641858.db2.gz	CWJFFRNFCUPCTG-AZUAARDMSA-N	1	0	362.518	1.714	20	30		FDEDRO
C=CCCc1ccc(C(=O)N2Cc3nccn3C[C@H](C[NH+](C)C)C2)c(=O)[nH]1	ZINC001185352251	963911524	/nfs/dbraw/zinc/91/15/24/963911524.db2.gz	HQGJKHIQRUZWJT-HNNXBMFYSA-N	1	0	369.469	1.936	20	30		FDEDRO
C=CC[NH+](CC=C)CCN1CCN(S(=O)(=O)c2ccsc2)CC1	ZINC001185381032	963927491	/nfs/dbraw/zinc/92/74/91/963927491.db2.gz	MJQQIYANYPTEMU-UHFFFAOYSA-N	1	0	355.529	1.728	20	30		FDEDRO
C=CCCc1ccc(C(=O)N2CCC([NH3+])(CC(=O)OCC)CC2)c(=O)[nH]1	ZINC001185371761	963935234	/nfs/dbraw/zinc/93/52/34/963935234.db2.gz	LZLLNURVOIVEFP-UHFFFAOYSA-N	1	0	361.442	1.793	20	30		FDEDRO
C=C(C)CNCc1cn([C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1	ZINC001185941652	964205529	/nfs/dbraw/zinc/20/55/29/964205529.db2.gz	BGKMOHIJIVIULS-BPQIPLTHSA-N	1	0	360.506	1.448	20	30		FDEDRO
C#CCC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@H]3OCC[C@H]3CC)C2)nn1	ZINC001185954384	964214222	/nfs/dbraw/zinc/21/42/22/964214222.db2.gz	MSWRMCSRJHCMLE-NJAFHUGGSA-N	1	0	359.474	1.370	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[NH2+]CCCCCCNC(=O)[C@]12C[C@H]1COC2	ZINC001178547091	964288357	/nfs/dbraw/zinc/28/83/57/964288357.db2.gz	NSYAHJBPBVAIDZ-PXNSSMCTSA-N	1	0	363.502	1.490	20	30		FDEDRO
C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)C2(C(N)=O)CC2)C1	ZINC001186196772	964345474	/nfs/dbraw/zinc/34/54/74/964345474.db2.gz	SHLHMBYLRJAYPL-SJLPKXTDSA-N	1	0	371.456	1.636	20	30		FDEDRO
C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CCn2cnnn2)C1	ZINC001186203163	964349821	/nfs/dbraw/zinc/34/98/21/964349821.db2.gz	FECGUMIEUVACHG-SJLPKXTDSA-N	1	0	370.432	1.057	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C(C)C)C1	ZINC001186213433	964379817	/nfs/dbraw/zinc/37/98/17/964379817.db2.gz	HQPXNSASASNOMO-RYRKJORJSA-N	1	0	351.491	1.415	20	30		FDEDRO
C=CCOc1ccc(/C=C/C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)cc1OC	ZINC001179007792	964620588	/nfs/dbraw/zinc/62/05/88/964620588.db2.gz	COLRIDAZYHDWKW-BIENSFFJSA-N	1	0	358.438	1.863	20	30		FDEDRO
C#C[C@H](NC(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C)[C@H]1CCCO1	ZINC000773791649	964637597	/nfs/dbraw/zinc/63/75/97/964637597.db2.gz	CZKUNCHLVSDAEE-DOTOQJQBSA-N	1	0	373.453	1.171	20	30		FDEDRO
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC1CC(C[NH2+]Cc2cccc(C#N)c2)C1	ZINC000962312407	1013518685	/nfs/dbraw/zinc/51/86/85/1013518685.db2.gz	TZYRPAVXQPNFDH-ZGUYJTEBSA-N	1	0	354.454	1.267	20	30		FDEDRO
CCN(CC)C(=O)CN1CCC(Nc2ncc([N+](=O)[O-])cc2C#N)CC1	ZINC001186814932	964777128	/nfs/dbraw/zinc/77/71/28/964777128.db2.gz	QAJRCNZRGFSHKI-UHFFFAOYSA-N	1	0	360.418	1.606	20	30		FDEDRO
N#Cc1ccccc1C[NH2+]CC1CC(NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC000962315599	1013523956	/nfs/dbraw/zinc/52/39/56/1013523956.db2.gz	WZHJQHVJMGPFPN-DGSCNEQVSA-N	1	0	354.454	1.444	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2nnnn2C(C)(C)C)C1	ZINC000962321808	1013531054	/nfs/dbraw/zinc/53/10/54/1013531054.db2.gz	NZUWANQLHQBJMW-CVSAEHQPSA-N	1	0	362.478	1.004	20	30		FDEDRO
N#CCSCC(=O)N1CC[C@H]2C[N@H+](CCc3ccc4c(c3)CCO4)C[C@H]21	ZINC001186940672	964856213	/nfs/dbraw/zinc/85/62/13/964856213.db2.gz	RRBQIWIEUOIWDL-ZWKOTPCHSA-N	1	0	371.506	1.953	20	30		FDEDRO
N#CCSCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]21	ZINC001186917532	964878082	/nfs/dbraw/zinc/87/80/82/964878082.db2.gz	TVXKIAQGNZTOKN-QJPTWQEYSA-N	1	0	351.394	1.089	20	30		FDEDRO
C[C@H]1[C@@H]([NH2+]CC#Cc2ccccc2Cl)CCN1C(=O)[C@H]1C[C@H]1C(N)=O	ZINC001179543788	964911553	/nfs/dbraw/zinc/91/15/53/964911553.db2.gz	KSJYAAGNJOTZMM-GUSZCTEKSA-N	1	0	359.857	1.392	20	30		FDEDRO
C=CCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	ZINC001179654265	964935181	/nfs/dbraw/zinc/93/51/81/964935181.db2.gz	IGGRJTKGGTVHHQ-HZMVEIRTSA-N	1	0	351.491	1.511	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCCNCc1noc(CC)n1	ZINC001179633675	964940949	/nfs/dbraw/zinc/94/09/49/964940949.db2.gz	GVWBXGRDGWBDLA-CABCVRRESA-N	1	0	350.463	1.989	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC[NH2+]C[C@H](O)COCC(C)C	ZINC001179638521	964942105	/nfs/dbraw/zinc/94/21/05/964942105.db2.gz	SXHRQRCSFQCMFM-OTWHNJEPSA-N	1	0	370.534	1.877	20	30		FDEDRO
C#CC[NH2+]CCCCCCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC001179788419	964988410	/nfs/dbraw/zinc/98/84/10/964988410.db2.gz	ZHOGPXQGLUMVJS-PKOBYXMFSA-N	1	0	356.470	1.500	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]21	ZINC001187101169	965012773	/nfs/dbraw/zinc/01/27/73/965012773.db2.gz	JSVXLYVHKMGTKP-FGTMMUONSA-N	1	0	363.502	1.513	20	30		FDEDRO
C=CCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(c4cnn(C)c4)C3=O)C[C@H]21	ZINC001187240346	965114515	/nfs/dbraw/zinc/11/45/15/965114515.db2.gz	QOHVUJULTUPNAF-USXIJHARSA-N	1	0	357.458	1.024	20	30		FDEDRO
N#Cc1ccc(CN(C(=O)C2=NNC(=O)CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1	ZINC001180262929	965188816	/nfs/dbraw/zinc/18/88/16/965188816.db2.gz	PXXFRAHDSLIZKX-WKILWMFISA-N	1	0	353.426	1.423	20	30		FDEDRO
N#Cc1c(N)c([N+](=O)[O-])ccc1N1CCN(CCc2cnccn2)CC1	ZINC001187415417	965313121	/nfs/dbraw/zinc/31/31/21/965313121.db2.gz	RFOXAIZSNASOGA-UHFFFAOYSA-N	1	0	353.386	1.203	20	30		FDEDRO
COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N[C@@H](C#N)CC(C)C	ZINC001180411315	965316978	/nfs/dbraw/zinc/31/69/78/965316978.db2.gz	ZHYSUPODGQOWKT-FGTMMUONSA-N	1	0	357.454	1.962	20	30		FDEDRO
C=CCOCCCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]21	ZINC001187472614	965386065	/nfs/dbraw/zinc/38/60/65/965386065.db2.gz	MOSRLRXBPCPPKY-GBESFXJTSA-N	1	0	368.518	1.535	20	30		FDEDRO
C=CCSCC(=O)N(c1ccc(C)nn1)[C@H]1CO[C@@]2(C1)CCC[NH2+]C2	ZINC001180559579	965400306	/nfs/dbraw/zinc/40/03/06/965400306.db2.gz	UUENVJMFEAIZEO-CRAIPNDOSA-N	1	0	362.499	1.948	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@H+](CC3CCC4(CC4)CC3)C[C@H]21	ZINC001187591216	965509285	/nfs/dbraw/zinc/50/92/85/965509285.db2.gz	HCYJPQQRNZKSPK-ZWKOTPCHSA-N	1	0	357.498	1.629	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@H+](CC/C=C\c3ccccc3)C[C@H]21	ZINC001187591253	965509363	/nfs/dbraw/zinc/50/93/63/965509363.db2.gz	IOVMAGWKSMKWKE-ZHJYEMEWSA-N	1	0	365.477	1.762	20	30		FDEDRO
C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+]([C@H](CC)c3ccccc3)C[C@H]21	ZINC001187597750	965517092	/nfs/dbraw/zinc/51/70/92/965517092.db2.gz	BZVXVJJQHVQRBF-IPMKNSEASA-N	1	0	353.466	1.810	20	30		FDEDRO
N#Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]32)c[nH]1	ZINC001187569220	965534555	/nfs/dbraw/zinc/53/45/55/965534555.db2.gz	BCEFDUAQOXQRMB-ZLKJLUDKSA-N	1	0	356.348	1.346	20	30		FDEDRO
C=C[C@](C)(O)CC(=O)N1CC[C@H]2C[N@H+](CCCCCn3cncn3)C[C@H]21	ZINC001187699240	965646945	/nfs/dbraw/zinc/64/69/45/965646945.db2.gz	VISPFJVJMQNOJY-SCTDSRPQSA-N	1	0	361.490	1.308	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CC4(OC)CCC4)[C@@H]3C2)C1=O	ZINC001187749720	965708116	/nfs/dbraw/zinc/70/81/16/965708116.db2.gz	ABAXACQYZNLZSO-YESZJQIVSA-N	1	0	361.486	1.265	20	30		FDEDRO
CC(C)C#CC(=O)N1CC[C@H]2C[N@H+](C[C@H](O)COc3ccccc3)C[C@H]21	ZINC001187840564	965780937	/nfs/dbraw/zinc/78/09/37/965780937.db2.gz	HVCHNMRPAPMWAU-CMKODMSKSA-N	1	0	356.466	1.618	20	30		FDEDRO
C#CCOCCC(=O)N1CC[C@H]2CN([C@H](C)c3nc(C4CC4)no3)C[C@H]21	ZINC001187857102	965795892	/nfs/dbraw/zinc/79/58/92/965795892.db2.gz	IPQBWFSTWAPYOJ-VNQPRFMTSA-N	1	0	358.442	1.581	20	30		FDEDRO
C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)c3cn(CCOC)nn3)[C@@H]2C1	ZINC001187857473	965797329	/nfs/dbraw/zinc/79/73/29/965797329.db2.gz	NAWNTZWSCAAMER-FUHWJXTLSA-N	1	0	361.490	1.817	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](CCCOCC(F)(F)F)C[C@H]21	ZINC001187866103	965811164	/nfs/dbraw/zinc/81/11/64/965811164.db2.gz	ZNYITCPOMOKDBY-QLFBSQMISA-N	1	0	362.392	1.526	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](CCOc3cccc(F)c3)C[C@H]21	ZINC001187865803	965811439	/nfs/dbraw/zinc/81/14/39/965811439.db2.gz	VYCSCSBJXMICIF-JTDSTZFVSA-N	1	0	360.429	1.776	20	30		FDEDRO
CC(C)N(C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1)C(C)C	ZINC001187832813	965824060	/nfs/dbraw/zinc/82/40/60/965824060.db2.gz	AFKRVWDPDJJFLF-NZSAHSFTSA-N	1	0	359.514	1.966	20	30		FDEDRO
Cc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1	ZINC001187833532	965826172	/nfs/dbraw/zinc/82/61/72/965826172.db2.gz	RPLGNORMUFFODA-XUVXKRRUSA-N	1	0	368.477	1.681	20	30		FDEDRO
C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](CCOCc3ccccc3)C[C@H]21	ZINC001187883030	965885385	/nfs/dbraw/zinc/88/53/85/965885385.db2.gz	ZUHRASJZRYAHQU-YZGWKJHDSA-N	1	0	356.466	1.774	20	30		FDEDRO
CCOC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)CC1	ZINC000775154957	965914026	/nfs/dbraw/zinc/91/40/26/965914026.db2.gz	HVAOYCDSKCMXJH-CABCVRRESA-N	1	0	358.442	1.898	20	30		FDEDRO
CCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21	ZINC001187996137	965949946	/nfs/dbraw/zinc/94/99/46/965949946.db2.gz	BANXIMMQUKCDAO-JCGIZDLHSA-N	1	0	354.454	1.506	20	30		FDEDRO
C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21	ZINC001188063163	965986632	/nfs/dbraw/zinc/98/66/32/965986632.db2.gz	CTABGYQONQZGRO-IXDOHACOSA-N	1	0	368.543	1.946	20	30		FDEDRO
C=C(C)CCC(=O)N1CC[C@H]2C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@H]21	ZINC001188087381	965998872	/nfs/dbraw/zinc/99/88/72/965998872.db2.gz	PWIKROXQSAOQDW-JKSUJKDBSA-N	1	0	357.520	1.157	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N1CC[C@H]2CN(CC(=O)NCCC)C[C@H]21)OCC	ZINC001188094852	966003295	/nfs/dbraw/zinc/00/32/95/966003295.db2.gz	BNEBVGVKZRRWOY-GVDBMIGSSA-N	1	0	351.491	1.417	20	30		FDEDRO
CN(CC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21)C(=O)C1CC1	ZINC001188107432	966022987	/nfs/dbraw/zinc/02/29/87/966022987.db2.gz	OOPBQQLHSVNLPH-RBUKOAKNSA-N	1	0	366.465	1.459	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1	ZINC001188562768	966396467	/nfs/dbraw/zinc/39/64/67/966396467.db2.gz	RXCUWTACEHLGNV-RVKKMQEKSA-N	1	0	367.453	1.171	20	30		FDEDRO
C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1	ZINC001188690489	966498369	/nfs/dbraw/zinc/49/83/69/966498369.db2.gz	NGBHTAJXZGXRFH-DLBZAZTESA-N	1	0	362.518	1.086	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cccn4)nc3)[C@@H]2C1	ZINC001188724445	966538716	/nfs/dbraw/zinc/53/87/16/966538716.db2.gz	UGMMTKRWHXMCTM-ZWKOTPCHSA-N	1	0	367.453	1.616	20	30		FDEDRO
CC#CCCCC(=O)N1CC[C@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]21	ZINC001188902958	966644435	/nfs/dbraw/zinc/64/44/35/966644435.db2.gz	CXNRUPQZZXZJAY-ZWKOTPCHSA-N	1	0	366.527	1.538	20	30		FDEDRO
C#Cc1cncc(C(=O)N2CC[C@H]3C[N@H+](CCOC[C@@H]4CCCO4)C[C@H]32)c1	ZINC001189076556	966751233	/nfs/dbraw/zinc/75/12/33/966751233.db2.gz	CQNCJPISAVEHNB-YSIASYRMSA-N	1	0	369.465	1.405	20	30		FDEDRO
C=C(Cl)CN1C[C@@H]2CCN(C(=O)COC[C@H](C)[NH+]3CCCC3)[C@@H]2C1	ZINC001189181797	966808548	/nfs/dbraw/zinc/80/85/48/966808548.db2.gz	JJSGOQSUZBVYNZ-YESZJQIVSA-N	1	0	355.910	1.773	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3Cc4cc(F)ccc4O3)[C@@H]2C1	ZINC001189277230	966894845	/nfs/dbraw/zinc/89/48/45/966894845.db2.gz	RUQBUWWJVXFCPS-YJLNNSPDSA-N	1	0	360.429	1.865	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3nc(C4CC4)no3)[C@@H]2C1	ZINC001189358830	966942752	/nfs/dbraw/zinc/94/27/52/966942752.db2.gz	CFWWHTYUIKWKQB-JKSUJKDBSA-N	1	0	358.442	1.062	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C)cc4cn[nH]c43)[C@@H]2C1	ZINC001189424738	966969318	/nfs/dbraw/zinc/96/93/18/966969318.db2.gz	DOSQASORKOCWOU-MAUKXSAKSA-N	1	0	352.438	1.667	20	30		FDEDRO
C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cccc(C(C)(C)C)c3)[C@@H]2C1	ZINC001189497562	967012837	/nfs/dbraw/zinc/01/28/37/967012837.db2.gz	DZPLZBSZWMKKNQ-PKOBYXMFSA-N	1	0	367.493	1.880	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(OC)cc3F)[C@@H]2C1	ZINC001189612035	967111096	/nfs/dbraw/zinc/11/10/96/967111096.db2.gz	ABHSRZNKFAYWKC-QFBILLFUSA-N	1	0	360.429	1.559	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-c4c[nH]cn4)cc3)[C@@H]2C1	ZINC001189628389	967127098	/nfs/dbraw/zinc/12/70/98/967127098.db2.gz	JXCXSXNPWYMMNH-AZUAARDMSA-N	1	0	364.449	1.873	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CCCn3nc(C)nc3C)[C@@H]2C1	ZINC001189754803	967227701	/nfs/dbraw/zinc/22/77/01/967227701.db2.gz	CUPBZHJDFXVTCX-ZWKOTPCHSA-N	1	0	361.490	1.410	20	30		FDEDRO
C=CCN(CC(=O)Nc1sc2c(c1C(N)=O)CCC2)[C@H](C)COC	ZINC000852358159	967249315	/nfs/dbraw/zinc/24/93/15/967249315.db2.gz	NWOMCPWYBYAOPT-LLVKDONJSA-N	1	0	351.472	1.797	20	30		FDEDRO
C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H](CC)CC(F)(F)F)[C@@H]2C1	ZINC001189828721	967287066	/nfs/dbraw/zinc/28/70/66/967287066.db2.gz	DTDOWULQGFRZQJ-MELADBBJSA-N	1	0	359.392	1.247	20	30		FDEDRO
C#CCC[NH+]1CCN(C[C@@H](O)COc2ccc(Br)cc2)CC1	ZINC000776594501	967294996	/nfs/dbraw/zinc/29/49/96/967294996.db2.gz	JYBLEWNSCOMEGI-MRXNPFEDSA-N	1	0	367.287	1.830	20	30		FDEDRO
C#C[C@H](NC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C1CCOCC1	ZINC000852642222	967493725	/nfs/dbraw/zinc/49/37/25/967493725.db2.gz	JMTRDCSYVWTYCF-GBESFXJTSA-N	1	0	363.502	1.482	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cnnn4)cc3)[C@@H]2C1	ZINC001190059491	967523277	/nfs/dbraw/zinc/52/32/77/967523277.db2.gz	UTQLFZQSIHFRIC-FUHWJXTLSA-N	1	0	368.441	1.011	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)CCN1C1CC1	ZINC000852703527	967546206	/nfs/dbraw/zinc/54/62/06/967546206.db2.gz	QAFRDHMOCMESQU-RTBURBONSA-N	1	0	353.470	1.643	20	30		FDEDRO
C=CCN(CC=C)C(=O)CN1C[C@@H]2CCN(C(=O)c3cccn3CC)[C@@H]2C1	ZINC001190186345	967599708	/nfs/dbraw/zinc/59/97/08/967599708.db2.gz	YYEUXZDEORSIMK-PKOBYXMFSA-N	1	0	370.497	1.855	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C	ZINC000964563747	1013728982	/nfs/dbraw/zinc/72/89/82/1013728982.db2.gz	YBHHOTCYILKNEH-BDXSIMOUSA-N	1	0	363.502	1.559	20	30		FDEDRO
[NH3+]C[C@H]1CCCc2ccc(C(=O)NCCNC(=O)C3N=CC=CC3=O)cc21	ZINC000852807684	967622153	/nfs/dbraw/zinc/62/21/53/967622153.db2.gz	XMAWCCZBHYTQOE-UDJKBAMHSA-N	1	0	368.437	1.321	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)CCC[NH2+]1	ZINC000852809354	967623495	/nfs/dbraw/zinc/62/34/95/967623495.db2.gz	DGONOMJMFDFEGI-LSDHHAIUSA-N	1	0	360.380	1.375	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)NC[C@H](O)COc1cccc(Cl)c1Cl	ZINC000852823734	967635116	/nfs/dbraw/zinc/63/51/16/967635116.db2.gz	JXEADWNEAFBIHL-ZDUSSCGKSA-N	1	0	371.264	1.852	20	30		FDEDRO
N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(-c2ccc(Br)cc2)no1	ZINC000852827326	967638584	/nfs/dbraw/zinc/63/85/84/967638584.db2.gz	GMTNRKGCZFBYLN-GWCFXTLKSA-N	1	0	361.199	1.945	20	30		FDEDRO
COc1ccc(OC)c(CN2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)c1	ZINC000852854510	967659418	/nfs/dbraw/zinc/65/94/18/967659418.db2.gz	ISMKBZISLZUTOW-UHFFFAOYSA-N	1	0	371.481	1.351	20	30		FDEDRO
C[C@@H](C(=O)Nc1ccc(NC(=O)C#CC2CC[NH2+]CC2)cc1)n1cncn1	ZINC000852859667	967665162	/nfs/dbraw/zinc/66/51/62/967665162.db2.gz	YURHWOHNASTOAS-AWEZNQCLSA-N	1	0	366.425	1.419	20	30		FDEDRO
O=C(C#CC1CC[NH2+]CC1)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1	ZINC000852860579	967666375	/nfs/dbraw/zinc/66/63/75/967666375.db2.gz	RPXWIXBADSPPHP-UHFFFAOYSA-N	1	0	374.872	1.915	20	30		FDEDRO
C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)C(=O)Nc1cccc(N2CCCC2)c1	ZINC000852864494	967669226	/nfs/dbraw/zinc/66/92/26/967669226.db2.gz	XQTHYQRCTAYNSX-MRXNPFEDSA-N	1	0	368.481	1.733	20	30		FDEDRO
COC(=O)c1ccc(N2CCN(C(=O)C#CC3CC[NH2+]CC3)[C@@H](C)C2)cc1	ZINC000852883016	967686971	/nfs/dbraw/zinc/68/69/71/967686971.db2.gz	DCFYSFCWPFDRGP-INIZCTEOSA-N	1	0	369.465	1.513	20	30		FDEDRO
Cc1cc(C)c(N2CC[C@@H](NC(=O)C#CC3CC[NH2+]CC3)C2=O)c(C)c1	ZINC000852888851	967691332	/nfs/dbraw/zinc/69/13/32/967691332.db2.gz	KSKZBTOWMYYSGF-GOSISDBHSA-N	1	0	353.466	1.836	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCNC(=O)c3cnccn3)[C@@H]2C1	ZINC001190255042	967697672	/nfs/dbraw/zinc/69/76/72/967697672.db2.gz	LDVDUALEVGKVPY-XYJFISCASA-N	1	0	371.485	1.484	20	30		FDEDRO
COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3Cc4cccc(F)c4O3)[C@@H]2C1	ZINC001190262607	967701674	/nfs/dbraw/zinc/70/16/74/967701674.db2.gz	FWIGGDBTXYVNAZ-JQHSSLGASA-N	1	0	358.413	1.312	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CNC(=O)NCc3ccco3)[C@@H]2C1	ZINC001190318012	967731101	/nfs/dbraw/zinc/73/11/01/967731101.db2.gz	LTGPYGYVDTZIMO-DOTOQJQBSA-N	1	0	360.458	1.578	20	30		FDEDRO
C#C[C@H]([NH2+]C[C@@H](O)COc1ccc(CCC(C)=O)cc1)C1CCOCC1	ZINC000853115440	967841563	/nfs/dbraw/zinc/84/15/63/967841563.db2.gz	JFDVYXGZCPQHHJ-CTNGQTDRSA-N	1	0	359.466	1.966	20	30		FDEDRO
C#CC[C@@H](CC(=O)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21)c1ccccc1	ZINC001190501712	967904459	/nfs/dbraw/zinc/90/44/59/967904459.db2.gz	WLXZRYVJMONJGV-PCCBWWKXSA-N	1	0	370.493	1.725	20	30		FDEDRO
CC(C)(CN[NH+]=Cc1ccc(N2CCC(O)CC2)cc1)S(C)(=O)=O	ZINC000853334845	967975405	/nfs/dbraw/zinc/97/54/05/967975405.db2.gz	DAYWTSUAQBEMCT-UHFFFAOYSA-N	1	0	353.488	1.394	20	30		FDEDRO
C=C(Br)CNC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1	ZINC000853503398	968059783	/nfs/dbraw/zinc/05/97/83/968059783.db2.gz	HJOODJDSWZZISQ-HNNXBMFYSA-N	1	0	368.275	1.961	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC)C1	ZINC001111564756	968190048	/nfs/dbraw/zinc/19/00/48/968190048.db2.gz	GIHISFIZKIOUDK-GLJUWKHASA-N	1	0	350.463	1.158	20	30		FDEDRO
C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC001190920017	968195859	/nfs/dbraw/zinc/19/58/59/968195859.db2.gz	BJRQSESBAQVBPX-MCIONIFRSA-N	1	0	350.381	1.832	20	30		FDEDRO
NC(=[NH+]OCCO[C@H]1CC1(F)F)c1ccc(N2CCC(O)CC2)cc1	ZINC000853672508	968239072	/nfs/dbraw/zinc/23/90/72/968239072.db2.gz	FJRQNGRLMRKELQ-HNNXBMFYSA-N	1	0	355.385	1.709	20	30		FDEDRO
COc1ccc(CNC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)cc1C#N	ZINC000853882217	968395260	/nfs/dbraw/zinc/39/52/60/968395260.db2.gz	DKBKVQWXOYPFJJ-QGZVFWFLSA-N	1	0	360.458	1.819	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)/C=C(/C)C2CC2)C1	ZINC001191402061	968471271	/nfs/dbraw/zinc/47/12/71/968471271.db2.gz	YYPJOMGFCQMPFB-RPCOJDIESA-N	1	0	363.502	1.317	20	30		FDEDRO
C#CCCN(CCOC)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1	ZINC000853974837	968487547	/nfs/dbraw/zinc/48/75/47/968487547.db2.gz	QTUINWCVJGYYHU-IBGZPJMESA-N	1	0	359.470	1.435	20	30		FDEDRO
C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCCCC2CCOCC2)C[C@H]1O	ZINC001191614979	968621434	/nfs/dbraw/zinc/62/14/34/968621434.db2.gz	SKFQYYIIILADCI-BHIYHBOVSA-N	1	0	368.518	1.726	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2cccs2)C1	ZINC001111565314	968632319	/nfs/dbraw/zinc/63/23/19/968632319.db2.gz	XPSRQJQSFMZQOF-VCBZYWHSSA-N	1	0	359.495	1.399	20	30		FDEDRO
C[C@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(C#N)c(F)c1	ZINC000776742960	968908988	/nfs/dbraw/zinc/90/89/88/968908988.db2.gz	MBLWXEZAVDZNSF-XJKSGUPXSA-N	1	0	369.462	1.836	20	30		FDEDRO
C=CCOCCCC(=O)N[C@@H]1CN(CCOc2ccc(F)cc2)C[C@H]1O	ZINC001192078504	968923235	/nfs/dbraw/zinc/92/32/35/968923235.db2.gz	JJVRKZKHHKQGKJ-QZTJIDSGSA-N	1	0	366.433	1.349	20	30		FDEDRO
C[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccc(C#N)c(F)c1	ZINC000776738668	968923379	/nfs/dbraw/zinc/92/33/79/968923379.db2.gz	GPKXLIBOSOLUKU-CYBMUJFWSA-N	1	0	353.463	1.857	20	30		FDEDRO
C=C[C@H](O)C(=O)NC1CCC([NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000854577894	968993731	/nfs/dbraw/zinc/99/37/31/968993731.db2.gz	FMIAHZFXERWUNC-GPANFISMSA-N	1	0	367.490	1.513	20	30		FDEDRO
C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1	ZINC001192333179	969069113	/nfs/dbraw/zinc/06/91/13/969069113.db2.gz	RJGFHAXIOOIZPZ-KURKYZTESA-N	1	0	363.502	1.655	20	30		FDEDRO
CO[C@H](C)CCC(=O)N[C@@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@H]1O	ZINC001192353042	969080863	/nfs/dbraw/zinc/08/08/63/969080863.db2.gz	QITIKHOTMUOMRV-ZTFGCOKTSA-N	1	0	364.873	1.668	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C(F)F)cc2)C[C@H]1O	ZINC001192530696	969175671	/nfs/dbraw/zinc/17/56/71/969175671.db2.gz	PWDUAIJPODQOIM-IIDMSEBBSA-N	1	0	354.397	1.613	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCN2CCCC2=O)C1	ZINC001192794581	969301895	/nfs/dbraw/zinc/30/18/95/969301895.db2.gz	LUZQQQUEDILAFW-AOIWGVFYSA-N	1	0	363.502	1.513	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1CN([C@H](CC)c2ccc(Cl)cc2)C[C@H]1O	ZINC001192878817	969329547	/nfs/dbraw/zinc/32/95/47/969329547.db2.gz	MTUVSTZCHQPNEC-KZNAEPCWSA-N	1	0	364.873	1.992	20	30		FDEDRO
C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O	ZINC001192925190	969383711	/nfs/dbraw/zinc/38/37/11/969383711.db2.gz	XECHMGQSYYMHJL-RTBURBONSA-N	1	0	368.518	1.727	20	30		FDEDRO
CCOC(=O)C1CC[NH+](C2CCN(C(=O)c3cnccc3C#N)CC2)CC1	ZINC001192967831	969407654	/nfs/dbraw/zinc/40/76/54/969407654.db2.gz	MEWVOOYAALWMFJ-UHFFFAOYSA-N	1	0	370.453	1.833	20	30		FDEDRO
CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)c2cnccc2C#N)CC1	ZINC001192971176	969411402	/nfs/dbraw/zinc/41/14/02/969411402.db2.gz	DEOONLYFSGCCDZ-UHFFFAOYSA-N	1	0	355.442	1.112	20	30		FDEDRO
CC(C)N(C)Cc1nnc2n1CCCN(C(=O)c1cnccc1C#N)C2	ZINC001192971496	969411943	/nfs/dbraw/zinc/41/19/43/969411943.db2.gz	PNASHQVKVDAOCE-UHFFFAOYSA-N	1	0	353.430	1.431	20	30		FDEDRO
C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCC[C@@H]2c2ccccc2)C1	ZINC001193075662	969451288	/nfs/dbraw/zinc/45/12/88/969451288.db2.gz	JFHKIAUDFFRRPH-UAFMIMERSA-N	1	0	358.482	1.934	20	30		FDEDRO
COC(=O)c1cn([C@@H]2CCC[N@H+](C[C@H](O)c3cccc(C#N)c3)C2)nn1	ZINC001193055539	969460447	/nfs/dbraw/zinc/46/04/47/969460447.db2.gz	XNJMRXMBVXTGOX-WBVHZDCISA-N	1	0	355.398	1.307	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)N1CCC2(C[C@H]([N@H+](C)Cc3ccco3)CO2)CC1	ZINC001193118090	969482500	/nfs/dbraw/zinc/48/25/00/969482500.db2.gz	LHQRHGLOJLVCNI-CABCVRRESA-N	1	0	367.471	1.577	20	30		FDEDRO
C#C[C@H]([NH2+][C@H](C)CC(=O)N1CCC(C(=O)OCC)CC1)[C@@H]1CCCO1	ZINC000775573348	969492346	/nfs/dbraw/zinc/49/23/46/969492346.db2.gz	XXFCNWCSALMQGU-PVAVHDDUSA-N	1	0	350.459	1.337	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1O	ZINC001193240840	969569516	/nfs/dbraw/zinc/56/95/16/969569516.db2.gz	LEYCYJAJHWQUTG-RCCFBDPRSA-N	1	0	352.475	1.112	20	30		FDEDRO
C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)CCc2ccccc2)C[C@H]1O	ZINC001193337204	969642051	/nfs/dbraw/zinc/64/20/51/969642051.db2.gz	LDITZHJAYKJLKF-GUDVDZBRSA-N	1	0	360.498	1.744	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nc3c2cccc3OC)C1	ZINC001193353851	969650052	/nfs/dbraw/zinc/65/00/52/969650052.db2.gz	MILZAZWYNCCRKQ-NWANDNLSSA-N	1	0	358.442	1.701	20	30		FDEDRO
C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1O	ZINC001193312980	969654072	/nfs/dbraw/zinc/65/40/72/969654072.db2.gz	UQMQHRFVCYERJG-GVDBMIGSSA-N	1	0	366.889	1.530	20	30		FDEDRO
C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1O)OCC	ZINC001193422267	969697484	/nfs/dbraw/zinc/69/74/84/969697484.db2.gz	NVSPDAMKIMJQMC-GUDVDZBRSA-N	1	0	368.518	1.726	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(F)cc2NC(C)=O)C1	ZINC001193535258	969721796	/nfs/dbraw/zinc/72/17/96/969721796.db2.gz	GJXMHPBSYUXDKI-NXOUGTEYSA-N	1	0	363.433	1.914	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCCCCC2=O)C1	ZINC001193519786	969733705	/nfs/dbraw/zinc/73/37/05/969733705.db2.gz	BVEONZSZBWQQFC-GVDBMIGSSA-N	1	0	351.491	1.295	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@](C)(OC)c2ccccc2F)C1	ZINC001193613406	969767856	/nfs/dbraw/zinc/76/78/56/969767856.db2.gz	YFOPIVSNSOIFJL-LMMKCTJWSA-N	1	0	350.434	1.815	20	30		FDEDRO
CC[NH+](CC)C[C@@H]1CN(S(=O)(=O)c2cc(OC)ccc2C#N)CCO1	ZINC001193679741	969807821	/nfs/dbraw/zinc/80/78/21/969807821.db2.gz	MXJMEBOWEGWTSH-MRXNPFEDSA-N	1	0	367.471	1.298	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(CC)cc3)C[C@H]2O)CCOCC1	ZINC001193727794	969818484	/nfs/dbraw/zinc/81/84/84/969818484.db2.gz	MKNYWSLLQQACPQ-WOJBJXKFSA-N	1	0	370.493	1.730	20	30		FDEDRO
C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC(O)(CC#N)C1	ZINC001193713429	969837406	/nfs/dbraw/zinc/83/74/06/969837406.db2.gz	GVPCRKSNFBXULE-MRXNPFEDSA-N	1	0	356.470	1.116	20	30		FDEDRO
C#CCC1(C(=O)N[C@@H]2C[N@H+](CC3CCC(C)CC3)C[C@H]2O)CCOCC1	ZINC001193720237	969842381	/nfs/dbraw/zinc/84/23/81/969842381.db2.gz	SSLQMVPBRFDSOI-CSODTCANSA-N	1	0	362.514	1.794	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(CC(C)C)CCNC2=O)C1	ZINC001193912384	969921674	/nfs/dbraw/zinc/92/16/74/969921674.db2.gz	YRAFCHOMEAPGIS-HLIPFELVSA-N	1	0	367.534	1.671	20	30		FDEDRO
C=CCOC(=O)N1CCC([NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1	ZINC001194303343	970093919	/nfs/dbraw/zinc/09/39/19/970093919.db2.gz	DXSQBFLHUBKVGZ-UHFFFAOYSA-N	1	0	365.474	1.344	20	30		FDEDRO
C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3cc[nH]c(=O)c3s2)C1	ZINC001194284105	970109740	/nfs/dbraw/zinc/10/97/40/970109740.db2.gz	YCBQKUHXNGVFEB-MRVWCRGKSA-N	1	0	361.467	1.719	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc3c2CC(=O)N3)C1	ZINC001194408652	970161403	/nfs/dbraw/zinc/16/14/03/970161403.db2.gz	MNFJFKJMGVCWTK-HZPDHXFCSA-N	1	0	360.458	1.322	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(C)=O)C2)C1	ZINC001194509387	970225995	/nfs/dbraw/zinc/22/59/95/970225995.db2.gz	WDDXYRWAGKOLFA-KZNAEPCWSA-N	1	0	351.491	1.153	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1	ZINC000855287866	970272281	/nfs/dbraw/zinc/27/22/81/970272281.db2.gz	WUKLHQLWRPNKIH-OAHLLOKOSA-N	1	0	363.483	1.201	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@]3(C)C=CCC3)C[C@H]2C)CC1	ZINC000957828619	1013972687	/nfs/dbraw/zinc/97/26/87/1013972687.db2.gz	MPTGXILCERYKEA-HGHGUNKESA-N	1	0	357.498	1.651	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccc(C(N)=O)cc2)C1	ZINC001194681568	970318990	/nfs/dbraw/zinc/31/89/90/970318990.db2.gz	NIOQYSDFGCFVEY-BMGDILEWSA-N	1	0	359.470	1.234	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(Cl)c1	ZINC001110461714	970425132	/nfs/dbraw/zinc/42/51/32/970425132.db2.gz	FKPFVYCVSPNAOW-ZACQAIPSSA-N	1	0	359.857	1.701	20	30		FDEDRO
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1N(C)C	ZINC001110461792	970426447	/nfs/dbraw/zinc/42/64/47/970426447.db2.gz	JBNKQNWMJWBDBQ-LMMKCTJWSA-N	1	0	368.481	1.114	20	30		FDEDRO
CC(C)COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(C#N)c1)C2	ZINC001110461911	970428283	/nfs/dbraw/zinc/42/82/83/970428283.db2.gz	NQSPSYXYRJKXPY-TVFCKZIOSA-N	1	0	360.458	1.255	20	30		FDEDRO
C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nc(CC)nc2C)C1	ZINC001194832800	970453829	/nfs/dbraw/zinc/45/38/29/970453829.db2.gz	SXORMCJGJPAIKO-FSPWUOQZSA-N	1	0	360.502	1.714	20	30		FDEDRO
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)C1	ZINC001194872336	970488245	/nfs/dbraw/zinc/48/82/45/970488245.db2.gz	BAXAWSMIINOVDD-MTQWCTHYSA-N	1	0	373.497	1.220	20	30		FDEDRO
C[NH+](C)CC[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C#N)C1	ZINC001194848694	970501640	/nfs/dbraw/zinc/50/16/40/970501640.db2.gz	CPGCFGFANJFMRD-GFCCVEGCSA-N	1	0	352.416	1.429	20	30		FDEDRO
CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)C1	ZINC000776828161	970661836	/nfs/dbraw/zinc/66/18/36/970661836.db2.gz	PECVALQJYOPVFM-MPGHIAIKSA-N	1	0	352.479	1.887	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cccc3cccnc32)C1	ZINC001195119374	970702926	/nfs/dbraw/zinc/70/29/26/970702926.db2.gz	JWDGKXVQTQTFCD-QZTJIDSGSA-N	1	0	355.438	1.141	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cccn3)nc2)C1	ZINC001195127878	970706581	/nfs/dbraw/zinc/70/65/81/970706581.db2.gz	BHSIHQMHEYSIBC-USXIJHARSA-N	1	0	355.442	1.397	20	30		FDEDRO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCn1cncn1	ZINC001110495949	972542654	/nfs/dbraw/zinc/54/26/54/972542654.db2.gz	OURABTKEVVEERK-VXIBKDFQSA-N	1	0	361.490	1.497	20	30		FDEDRO
C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCc1ccco1	ZINC001110497185	972566832	/nfs/dbraw/zinc/56/68/32/972566832.db2.gz	OOXZRTNKWDGMKH-RWQQGDIJSA-N	1	0	360.454	1.682	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H]1O	ZINC001197948034	972584377	/nfs/dbraw/zinc/58/43/77/972584377.db2.gz	DEKPEZDVGQTWDO-QZTJIDSGSA-N	1	0	362.449	1.091	20	30		FDEDRO
C[NH+](C)CCCCC(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2F)C[C@H]1O	ZINC001197948907	972587496	/nfs/dbraw/zinc/58/74/96/972587496.db2.gz	NRXPHAKAMZANFJ-QZTJIDSGSA-N	1	0	362.449	1.091	20	30		FDEDRO
Cn1ncc(I)c1C=NNC1=[NH+][C@@H]2CCCC[C@H]2N1	ZINC000863103608	972666498	/nfs/dbraw/zinc/66/64/98/972666498.db2.gz	FBPXIILFRFFBOW-NXEZZACHSA-N	1	0	372.214	1.219	20	30		FDEDRO
Cc1nn(C)c(N2CCOCC2)c1C=[NH+]NC[C@H]1COc2ccccc2O1	ZINC000863199594	972700614	/nfs/dbraw/zinc/70/06/14/972700614.db2.gz	FZWQKHHXHPZBEX-HNNXBMFYSA-N	1	0	371.441	1.329	20	30		FDEDRO
CCCCCCCCCC(=O)N[C@@H]1C[N@H+](CCOCCOC)C[C@H]1O	ZINC001198081267	972736956	/nfs/dbraw/zinc/73/69/56/972736956.db2.gz	NLPVSJXUDBYYBA-QZTJIDSGSA-N	1	0	358.523	1.951	20	30		FDEDRO
C=CC[C@@]1(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)CCCN1C(=O)OC(C)(C)C	ZINC000863321245	972798423	/nfs/dbraw/zinc/79/84/23/972798423.db2.gz	QNCXAMHBKDODJQ-BEFAXECRSA-N	1	0	367.490	1.515	20	30		FDEDRO
COc1cc2c(cc1OC)C(=NNC(=S)NCCC[NH+](C)C)CC2	ZINC000794510527	972813764	/nfs/dbraw/zinc/81/37/64/972813764.db2.gz	QYRFHRHIJGLOHG-UHFFFAOYSA-N	1	0	350.488	1.770	20	30		FDEDRO
C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)OCc2ccc(F)cc2)C1	ZINC001198262230	972914991	/nfs/dbraw/zinc/91/49/91/972914991.db2.gz	NQMBWLWYICZELJ-ZTFGCOKTSA-N	1	0	350.434	1.858	20	30		FDEDRO
Cc1nccn1-c1ccc(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)cn1	ZINC000863550626	973006324	/nfs/dbraw/zinc/00/63/24/973006324.db2.gz	BZRFIPFAVSRDTE-KRWDZBQOSA-N	1	0	355.442	1.737	20	30		FDEDRO
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000863552454	973010567	/nfs/dbraw/zinc/01/05/67/973010567.db2.gz	LNXDXXUNVBKOGP-HUUCEWRRSA-N	1	0	353.463	1.657	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCCO[C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)C1	ZINC000863557755	973014177	/nfs/dbraw/zinc/01/41/77/973014177.db2.gz	QUWUQXWZXWTNNC-HUUCEWRRSA-N	1	0	353.463	1.657	20	30		FDEDRO
C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)[C@H](O)c1ccc2c(c1)OCO2	ZINC000863562935	973018355	/nfs/dbraw/zinc/01/83/55/973018355.db2.gz	NKSDBVCHYOQDJO-YEWWUXTCSA-N	1	0	362.426	1.498	20	30		FDEDRO
C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+]C[C@H](O)CC1(C#N)CCOCC1	ZINC000863564142	973019534	/nfs/dbraw/zinc/01/95/34/973019534.db2.gz	WECZEQWLXXVOMA-HUUCEWRRSA-N	1	0	355.479	1.903	20	30		FDEDRO
C#CC[C@H](COC)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1	ZINC000863589511	973037364	/nfs/dbraw/zinc/03/73/64/973037364.db2.gz	QHTUEYRTSSRAJF-KGLIPLIRSA-N	1	0	360.223	1.956	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCC(F)(C3CC3)CC2)CC1	ZINC001198389780	973045728	/nfs/dbraw/zinc/04/57/28/973045728.db2.gz	WYZGJPDSTHDSKP-QGZVFWFLSA-N	1	0	350.482	1.893	20	30		FDEDRO
COCC#CCN1C[C@@H](O)[C@H](NC(=O)C2(c3ccccc3)CCCC2)C1	ZINC001198391996	973103103	/nfs/dbraw/zinc/10/31/03/973103103.db2.gz	AVQXYMXMDAHMND-RTBURBONSA-N	1	0	356.466	1.310	20	30		FDEDRO
C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCOc2cccc(F)c2)C1	ZINC001198793556	973538307	/nfs/dbraw/zinc/53/83/07/973538307.db2.gz	WVPFEQWLNTUHJQ-QZTJIDSGSA-N	1	0	366.433	1.349	20	30		FDEDRO
CC(C)[C@H](CO)[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC001198863448	973602964	/nfs/dbraw/zinc/60/29/64/973602964.db2.gz	QJHJMYXWPRWGPA-LSDHHAIUSA-N	1	0	350.488	1.063	20	30		FDEDRO
C=C[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1O)c1ccccc1	ZINC001198956128	973740557	/nfs/dbraw/zinc/74/05/57/973740557.db2.gz	PWQOCBRBNXMCRW-VAMGGRTRSA-N	1	0	368.481	1.631	20	30		FDEDRO
C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCN(C(=O)CCC)CC2)C1	ZINC001198983403	973780843	/nfs/dbraw/zinc/78/08/43/973780843.db2.gz	VFXPJWZHKAIAOB-CGTJXYLNSA-N	1	0	365.518	1.541	20	30		FDEDRO
CCO[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@H]1CCOC1	ZINC000864910132	973940195	/nfs/dbraw/zinc/94/01/95/973940195.db2.gz	GRNKHNPLEULUCD-OALUTQOASA-N	1	0	359.470	1.890	20	30		FDEDRO
C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cncc(OCC2CCOCC2)n1	ZINC001199167269	973976363	/nfs/dbraw/zinc/97/63/63/973976363.db2.gz	LNEZAHWMUBZHNB-INIZCTEOSA-N	1	0	360.458	1.662	20	30		FDEDRO
CN(CC#N)C(=O)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000865068339	974056288	/nfs/dbraw/zinc/05/62/88/974056288.db2.gz	PJYAEULDRGYEES-MRXNPFEDSA-N	1	0	360.458	1.994	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc(C(N)=O)cc2)C1	ZINC001199246035	974067980	/nfs/dbraw/zinc/06/79/80/974067980.db2.gz	UJZKJMSULNIWOO-QZTJIDSGSA-N	1	0	361.486	1.460	20	30		FDEDRO
C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@H]1O	ZINC001199314893	974148743	/nfs/dbraw/zinc/14/87/43/974148743.db2.gz	SSAYSFAVQNNMHC-ZTFGCOKTSA-N	1	0	355.438	1.487	20	30		FDEDRO
C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1	ZINC001199337401	974164537	/nfs/dbraw/zinc/16/45/37/974164537.db2.gz	ROHAJOJFNVOPLZ-IAGOWNOFSA-N	1	0	365.474	1.099	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Cn2ccc(Br)cc2=O)CC1	ZINC000865194340	974174734	/nfs/dbraw/zinc/17/47/34/974174734.db2.gz	VKYUTDYRAKOJRY-UHFFFAOYSA-N	1	0	354.248	1.377	20	30		FDEDRO
CC(C)COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)(C)C)C2	ZINC001110531580	974209605	/nfs/dbraw/zinc/20/96/05/974209605.db2.gz	FQKUIWGSUAFWOA-XDNAFOTISA-N	1	0	350.503	1.791	20	30		FDEDRO
C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCC(NC(C)=O)CC2)C1	ZINC001199458634	974273096	/nfs/dbraw/zinc/27/30/96/974273096.db2.gz	FBRBQZYEJKVYJG-CSODTCANSA-N	1	0	365.518	1.589	20	30		FDEDRO
CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(OC)ncnc2OC)C1	ZINC001199467033	974279659	/nfs/dbraw/zinc/27/96/59/974279659.db2.gz	PGLNXWGNNLJTRL-ZIAGYGMSSA-N	1	0	366.462	1.239	20	30		FDEDRO
C#CC[C@@H](CC(=O)N[C@@H]1CN(Cc2conc2C)C[C@H]1O)c1ccccc1	ZINC001199505176	974324884	/nfs/dbraw/zinc/32/48/84/974324884.db2.gz	BAEREBHNFWWZOF-DFQSSKMNSA-N	1	0	367.449	1.842	20	30		FDEDRO
CN(C)c1ccc(C#N)cc1C[NH2+][C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1	ZINC000865522282	974337525	/nfs/dbraw/zinc/33/75/25/974337525.db2.gz	NKZIIFQDRFRYSI-AEFFLSMTSA-N	1	0	363.483	1.450	20	30		FDEDRO
C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)Nc2c(C)cccc2C)C1	ZINC001199567150	974372885	/nfs/dbraw/zinc/37/28/85/974372885.db2.gz	KMORNRXOYIQRRA-GVDBMIGSSA-N	1	0	359.470	1.758	20	30		FDEDRO
COc1cc(C[NH2+]Cc2ccc(CN3C(=O)CNC3=O)cc2)ccc1C#N	ZINC000865773745	974480554	/nfs/dbraw/zinc/48/05/54/974480554.db2.gz	YEIOCAKEXDKCRF-UHFFFAOYSA-N	1	0	364.405	1.908	20	30		FDEDRO
C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOc1cccc(F)c1	ZINC001110544904	974593183	/nfs/dbraw/zinc/59/31/83/974593183.db2.gz	KQHLMSOILSGJBB-QRQLOZEOSA-N	1	0	360.429	1.966	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C(=O)NC)cc1	ZINC001110546457	974640219	/nfs/dbraw/zinc/64/02/19/974640219.db2.gz	XWTJUSYEFHZCLJ-PIKADFDJSA-N	1	0	369.465	1.306	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCCOCC)C1	ZINC001200528223	974807879	/nfs/dbraw/zinc/80/78/79/974807879.db2.gz	HGEPWZQMRHSBOC-KURKYZTESA-N	1	0	354.491	1.601	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCOCC2CC2)C1	ZINC001200529093	974808701	/nfs/dbraw/zinc/80/87/01/974808701.db2.gz	QTROCZONSKVLPN-OTWHNJEPSA-N	1	0	366.502	1.601	20	30		FDEDRO
C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccncc2)CCCO1	ZINC001200536904	974811606	/nfs/dbraw/zinc/81/16/06/974811606.db2.gz	JANBIRUJTSFENU-CEXWTWQISA-N	1	0	359.470	1.595	20	30		FDEDRO
C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NCC1(C#N)CCOCC1	ZINC001201154348	974965904	/nfs/dbraw/zinc/96/59/04/974965904.db2.gz	HNDJCLDCUVSFFB-UHFFFAOYSA-N	1	0	359.430	1.289	20	30		FDEDRO
CCCCCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CCCO1	ZINC001201410308	975051945	/nfs/dbraw/zinc/05/19/45/975051945.db2.gz	GLTSVOBLOYNGEH-KSZLIROESA-N	1	0	367.534	1.888	20	30		FDEDRO
COc1cccc([C@]2(C)NC(=O)N(N=Cc3c[nH+]ccc3N(C)C)C2=O)c1	ZINC000776186226	975053364	/nfs/dbraw/zinc/05/33/64/975053364.db2.gz	VSAPZWKJUBTMHA-IBGZPJMESA-N	1	0	367.409	1.957	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCOCC(F)F)C1	ZINC001201439555	975061273	/nfs/dbraw/zinc/06/12/73/975061273.db2.gz	XDKKEBDFUWWCLM-ZNMIVQPWSA-N	1	0	362.417	1.066	20	30		FDEDRO
Cc1cccc(OCCNC(=O)CON=C(N)C[NH+]2CCCCCC2)c1	ZINC000106437798	975254471	/nfs/dbraw/zinc/25/44/71/975254471.db2.gz	ZDGNPRJATXHDQS-UHFFFAOYSA-N	1	0	362.474	1.655	20	30		FDEDRO
N#CCc1ccsc1C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1	ZINC000866633795	975847903	/nfs/dbraw/zinc/84/79/03/975847903.db2.gz	LWAPAQQNNXDLSW-QGZVFWFLSA-N	1	0	355.463	1.963	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)C2	ZINC001110590823	975876442	/nfs/dbraw/zinc/87/64/42/975876442.db2.gz	GUDAQAQAHVECKI-SVGFKBNWSA-N	1	0	361.442	1.322	20	30		FDEDRO
N#CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1	ZINC000847605644	975900678	/nfs/dbraw/zinc/90/06/78/975900678.db2.gz	FIYSTFLMBJRHTE-SJORKVTESA-N	1	0	356.426	1.661	20	30		FDEDRO
C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCS(C)(=O)=O	ZINC001110593150	976063266	/nfs/dbraw/zinc/06/32/66/976063266.db2.gz	KWSNRJIUOIJCSS-ZACQAIPSSA-N	1	0	354.516	1.911	20	30		FDEDRO
CCN1CCC([NH+]2CCC(C(=O)NCc3ccc(C#N)cn3)CC2)CC1	ZINC000848079676	976312369	/nfs/dbraw/zinc/31/23/69/976312369.db2.gz	LLTCYJNOBGPAAZ-UHFFFAOYSA-N	1	0	355.486	1.766	20	30		FDEDRO
C[N@@H+]1C[C@H]2CCN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)[C@H]2C1	ZINC000848120958	976343055	/nfs/dbraw/zinc/34/30/55/976343055.db2.gz	STYBCFWJDMOODL-SJORKVTESA-N	1	0	361.486	1.799	20	30		FDEDRO
C=CCN(C(=O)[C@@H](O)c1cnc[nH]1)[C@H](Cc1ccccc1)C(=O)OCC	ZINC000867638542	976552265	/nfs/dbraw/zinc/55/22/65/976552265.db2.gz	VAHGTFXUMFNZBG-SJORKVTESA-N	1	0	357.410	1.632	20	30		FDEDRO
N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2	ZINC000848402260	976719499	/nfs/dbraw/zinc/71/94/99/976719499.db2.gz	ZKCKJDMXSIOACZ-KGLIPLIRSA-N	1	0	367.833	1.672	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1	ZINC000867958747	977143092	/nfs/dbraw/zinc/14/30/92/977143092.db2.gz	HCYOVZNHSIUMCJ-BBRMVZONSA-N	1	0	366.387	1.745	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@H]1CCN(c2ncccc2F)C1	ZINC000867959168	977143411	/nfs/dbraw/zinc/14/34/11/977143411.db2.gz	QSFALTLWHZZDCX-YJBOKZPZSA-N	1	0	365.412	1.674	20	30		FDEDRO
Cc1ccc(CN2CCO[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C2)cc1	ZINC000867997957	977181107	/nfs/dbraw/zinc/18/11/07/977181107.db2.gz	MYPKDYWBWBOFLY-MOPGFXCFSA-N	1	0	358.486	1.723	20	30		FDEDRO
CN1CC[NH+](CCCCNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1	ZINC000868049357	977235292	/nfs/dbraw/zinc/23/52/92/977235292.db2.gz	UXZGLURVWQYSQT-LJQANCHMSA-N	1	0	355.486	1.352	20	30		FDEDRO
N#Cc1ccc(NCCNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)nc1	ZINC000849071479	977302646	/nfs/dbraw/zinc/30/26/46/977302646.db2.gz	ZPPLHXUSJBWXIK-UHFFFAOYSA-N	1	0	367.432	1.851	20	30		FDEDRO
C[NH+]=C(NCCN(C)S(=O)(=O)c1ccc(F)cc1)NCc1ccco1	ZINC000849106014	977317619	/nfs/dbraw/zinc/31/76/19/977317619.db2.gz	OKKGMSUGGXIADG-UHFFFAOYSA-N	1	0	368.434	1.404	20	30		FDEDRO
C[NH+]1CCC(CNC(=S)N2CCN(c3ccsc3C#N)CC2)CC1	ZINC000849275139	977392817	/nfs/dbraw/zinc/39/28/17/977392817.db2.gz	IUJDMVOYFPGEQS-UHFFFAOYSA-N	1	0	363.556	1.958	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1C#N	ZINC000868251513	977395427	/nfs/dbraw/zinc/39/54/27/977395427.db2.gz	RYJUNJATUWFXAF-LSDHHAIUSA-N	1	0	370.453	1.744	20	30		FDEDRO
C#CCOc1ccc(NC(=O)C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)cc1	ZINC000868311444	977490109	/nfs/dbraw/zinc/49/01/09/977490109.db2.gz	UFVVBEZYAHXOET-HXUWFJFHSA-N	1	0	357.454	1.861	20	30		FDEDRO
CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(c2ccc(C#N)cc2)CC1	ZINC000868385365	977583909	/nfs/dbraw/zinc/58/39/09/977583909.db2.gz	PWHFMGGLEXAYPR-GOSISDBHSA-N	1	0	371.485	1.039	20	30		FDEDRO
Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2cc(C#N)ccc2F)cn1	ZINC000849554385	977738463	/nfs/dbraw/zinc/73/84/63/977738463.db2.gz	MVNYEFDGCMYAMG-SJORKVTESA-N	1	0	355.417	1.783	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC([NH+]2CCN(C)CC2)CC1	ZINC000868571460	977782059	/nfs/dbraw/zinc/78/20/59/977782059.db2.gz	BIMSJDRHRZERLJ-FUHWJXTLSA-N	1	0	350.507	1.389	20	30		FDEDRO
CN1C(=O)C(=C(N)NOCc2nc(-c3ccoc3)no2)C(=[NH2+])C12CCCC2	ZINC000122210443	977791694	/nfs/dbraw/zinc/79/16/94/977791694.db2.gz	SULZKSQIQZQPQO-UHFFFAOYSA-N	1	0	372.385	1.116	20	30		FDEDRO
C#CCn1cc(CNC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cn1	ZINC000849590205	977797229	/nfs/dbraw/zinc/79/72/29/977797229.db2.gz	XTDANIKIDMTUJT-RBUKOAKNSA-N	1	0	368.485	1.380	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(Br)n[nH]1)C2	ZINC001110615527	978002695	/nfs/dbraw/zinc/00/26/95/978002695.db2.gz	WKNDAYIEOCXPNU-WZRBSPASSA-N	1	0	369.263	1.710	20	30		FDEDRO
Cn1ncc(Cn2c3c(cc(C#N)c2=O)C[N@@H+](Cc2ccccc2)CC3)n1	ZINC000850002597	978096269	/nfs/dbraw/zinc/09/62/69/978096269.db2.gz	AODMARIIHYKBES-UHFFFAOYSA-N	1	0	360.421	1.455	20	30		FDEDRO
COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000850443254	978374371	/nfs/dbraw/zinc/37/43/71/978374371.db2.gz	PSSZAXPSXWRQBU-WHBPPDGWSA-N	1	0	360.370	1.780	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1	ZINC000850549638	978433338	/nfs/dbraw/zinc/43/33/38/978433338.db2.gz	IUCOGDQXZHQUAU-CQSZACIVSA-N	1	0	361.417	1.765	20	30		FDEDRO
C#CCOc1cccc(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1	ZINC000850686005	978608613	/nfs/dbraw/zinc/60/86/13/978608613.db2.gz	NKOOBWYDWIIGJU-KRWDZBQOSA-N	1	0	371.437	1.007	20	30		FDEDRO
C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CC[C@](C)(C#N)C3)cc2)CC1	ZINC000850702013	978628795	/nfs/dbraw/zinc/62/87/95/978628795.db2.gz	UNESFPCDMKFXQB-HXUWFJFHSA-N	1	0	369.469	1.529	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1	ZINC000850829035	978687482	/nfs/dbraw/zinc/68/74/82/978687482.db2.gz	AXRNLSKXVMSFKO-QGZVFWFLSA-N	1	0	369.465	1.875	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1CN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC000968003722	1014543134	/nfs/dbraw/zinc/54/31/34/1014543134.db2.gz	MLOWZLKVYGGINS-IRXDYDNUSA-N	1	0	361.486	1.123	20	30		FDEDRO
CC(=O)N1C[C@@H]2C[N@H+]([C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)C[C@@H]2C1	ZINC000880309727	979086192	/nfs/dbraw/zinc/08/61/92/979086192.db2.gz	IOYNXYFDNQBBQG-OIISXLGYSA-N	1	0	372.444	1.871	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+](C)[C@@H]2CCOC[C@H]2OC)c(OC)c1	ZINC000880422447	979178009	/nfs/dbraw/zinc/17/80/09/979178009.db2.gz	BYHPQONQUGJSKD-MBOZVWFJSA-N	1	0	365.470	1.899	20	30		FDEDRO
C[C@@H]1CN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C[C@H](C)N1CC#N	ZINC000880459603	979208149	/nfs/dbraw/zinc/20/81/49/979208149.db2.gz	HWFGIMJAOVFLCK-HDICACEKSA-N	1	0	369.513	1.492	20	30		FDEDRO
C#C[C@H](NC(=O)NCCc1ccc(OCC[NH+](C)C)cc1)C1CCOCC1	ZINC000852060419	979314779	/nfs/dbraw/zinc/31/47/79/979314779.db2.gz	DXIIWBZJNWWHSI-FQEVSTJZSA-N	1	0	373.497	1.897	20	30		FDEDRO
C#C[C@@](C)(CC)[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852099718	979350227	/nfs/dbraw/zinc/35/02/27/979350227.db2.gz	DBWMHBDTOCIBQU-SFHVURJKSA-N	1	0	363.483	1.801	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)Nc2cccc(CC#N)n2)CC1	ZINC000881151776	979719161	/nfs/dbraw/zinc/71/91/61/979719161.db2.gz	BIUPLTZUQCYCSG-UHFFFAOYSA-N	1	0	365.441	1.616	20	30		FDEDRO
N#CCc1ccccc1CC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1	ZINC000881623145	980018926	/nfs/dbraw/zinc/01/89/26/980018926.db2.gz	FQZZRMNZPNUODT-UHFFFAOYSA-N	1	0	368.481	1.628	20	30		FDEDRO
Cc1ncc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)cc1C#N	ZINC000882619303	980760017	/nfs/dbraw/zinc/76/00/17/980760017.db2.gz	FQDWQJDUFLOLQM-CYBMUJFWSA-N	1	0	357.439	1.556	20	30		FDEDRO
C#Cc1ccc(C(=O)N(CC)C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1	ZINC000968192399	1014738522	/nfs/dbraw/zinc/73/85/22/1014738522.db2.gz	QNBAWJGOWSVCKE-RDTXWAMCSA-N	1	0	354.454	1.076	20	30		FDEDRO
CN1CC[NH+](C2CCN(c3cc(C#N)c(Br)cn3)CC2)CC1	ZINC000882698356	981608300	/nfs/dbraw/zinc/60/83/00/981608300.db2.gz	JZUURYJBYYSWFI-UHFFFAOYSA-N	1	0	364.291	1.932	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C2	ZINC001110734490	981694297	/nfs/dbraw/zinc/69/42/97/981694297.db2.gz	RBEHKBXGFVYJEE-FPCVCCKLSA-N	1	0	350.507	1.129	20	30		FDEDRO
C#CCNC(=O)c1ccc(N2CC[NH+](CCCOC(C)(C)C)CC2)nc1	ZINC000882931239	981803853	/nfs/dbraw/zinc/80/38/53/981803853.db2.gz	DHHRCUAJTFXXIJ-UHFFFAOYSA-N	1	0	358.486	1.772	20	30		FDEDRO
C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCN(C)C(=O)C1)C2	ZINC001110741176	981904898	/nfs/dbraw/zinc/90/48/98/981904898.db2.gz	VACUOMFFGDTIOK-KURKYZTESA-N	1	0	362.518	1.228	20	30		FDEDRO
C#CCC1(O)CCN(C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)CC1	ZINC000883062258	981919973	/nfs/dbraw/zinc/91/99/73/981919973.db2.gz	VZYVDMQLRWINOJ-GOSISDBHSA-N	1	0	359.470	1.858	20	30		FDEDRO
C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)cc1	ZINC000858222415	981924633	/nfs/dbraw/zinc/92/46/33/981924633.db2.gz	PNHUWGRXSCXOPF-JXFKEZNVSA-N	1	0	359.470	1.683	20	30		FDEDRO
C[C@H]1CN(C(=O)NCCNc2ccc(C#N)cn2)CCN1c1cc[nH+]cc1	ZINC000883129820	981968800	/nfs/dbraw/zinc/96/88/00/981968800.db2.gz	GTGPILIQAIOTJR-HNNXBMFYSA-N	1	0	365.441	1.680	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCCNc2ccc(C#N)cn2)CCN1c1cc[nH+]cc1	ZINC000883129821	981969014	/nfs/dbraw/zinc/96/90/14/981969014.db2.gz	GTGPILIQAIOTJR-OAHLLOKOSA-N	1	0	365.441	1.680	20	30		FDEDRO
C=CCC[C@@H](CO)[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl	ZINC000883139022	981974933	/nfs/dbraw/zinc/97/49/33/981974933.db2.gz	YALCWTIRIYDOFQ-QWHCGFSZSA-N	1	0	361.895	1.621	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000883556470	982265597	/nfs/dbraw/zinc/26/55/97/982265597.db2.gz	CZSJWTWILPJKDH-UHFFFAOYSA-N	1	0	374.485	1.005	20	30		FDEDRO
C#C[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCCO1	ZINC000883627340	982324069	/nfs/dbraw/zinc/32/40/69/982324069.db2.gz	YSOJHEJRLSPYDV-MOPGFXCFSA-N	1	0	356.470	1.418	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1	ZINC000883670637	982366191	/nfs/dbraw/zinc/36/61/91/982366191.db2.gz	OHCZFPVPCQMUTI-SZMVWBNQSA-N	1	0	351.491	1.910	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1	ZINC000883679783	982372106	/nfs/dbraw/zinc/37/21/06/982372106.db2.gz	TUWXRUAMFWEKRQ-CVEARBPZSA-N	1	0	364.490	1.235	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(=O)n(CCOC)c1)C2	ZINC001110761468	982388880	/nfs/dbraw/zinc/38/88/80/982388880.db2.gz	XREWFLGELIPBJZ-KURKYZTESA-N	1	0	359.470	1.796	20	30		FDEDRO
C#CC[C@H](COC)NC(=O)NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C	ZINC000859028331	982466563	/nfs/dbraw/zinc/46/65/63/982466563.db2.gz	OCSFTYQXBCLVDL-HZPDHXFCSA-N	1	0	363.458	1.644	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCC[C@@H]([NH2+]C3CCOCC3)C1)C2	ZINC000883805597	982484594	/nfs/dbraw/zinc/48/45/94/982484594.db2.gz	LSMBQBZDRNQWKY-WOJBJXKFSA-N	1	0	368.481	1.968	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1-n1cnnn1)C2	ZINC001110765729	982498163	/nfs/dbraw/zinc/49/81/63/982498163.db2.gz	NMMIUQXEOMVMMT-MCIONIFRSA-N	1	0	374.470	1.262	20	30		FDEDRO
C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1	ZINC000958368087	1014852278	/nfs/dbraw/zinc/85/22/78/1014852278.db2.gz	KWYUJDDLSAUJRD-WOSRLPQWSA-N	1	0	352.398	1.004	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)C(=O)NC2CCCC2)CC1	ZINC001202559687	982556336	/nfs/dbraw/zinc/55/63/36/982556336.db2.gz	KBGPPQHMCIRKGR-QGTPRVQTSA-N	1	0	363.502	1.605	20	30		FDEDRO
CN(C(=O)OC(C)(C)C)C1CC(C(=O)NC2(C#N)CC[NH+](C)CC2)C1	ZINC000859255579	982651644	/nfs/dbraw/zinc/65/16/44/982651644.db2.gz	AJMPHZSVRNFIBR-UHFFFAOYSA-N	1	0	350.463	1.736	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)[C@H](F)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000859257063	982652358	/nfs/dbraw/zinc/65/23/58/982652358.db2.gz	RRUJBHAMMCEIHU-UONOGXRCSA-N	1	0	368.453	1.686	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCC1(N3CCOCC3)CCCCC1)C2	ZINC000884053976	982772411	/nfs/dbraw/zinc/77/24/11/982772411.db2.gz	MPSNQNPGKYYHJJ-HFCFLWKCSA-N	1	0	360.502	1.277	20	30		FDEDRO
C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCC[NH+]1CCCC1	ZINC000800186087	982789109	/nfs/dbraw/zinc/78/91/09/982789109.db2.gz	RXBABBPPIFJGND-AWEZNQCLSA-N	1	0	365.455	1.254	20	30		FDEDRO
C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCC[NH+]1CCCC1	ZINC000800186665	982789165	/nfs/dbraw/zinc/78/91/65/982789165.db2.gz	YTLCRLFVHNVHBW-CQSZACIVSA-N	1	0	365.455	1.254	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)/C=C\c2ccc(S(C)(=O)=O)o2)CC1	ZINC000859524657	982894976	/nfs/dbraw/zinc/89/49/76/982894976.db2.gz	DHTNMFZCZICZOP-ALCCZGGFSA-N	1	0	350.440	1.300	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F)C2	ZINC000884119917	982900483	/nfs/dbraw/zinc/90/04/83/982900483.db2.gz	ACXDYTUUNZXEFG-CBPVBMDVSA-N	1	0	367.371	1.692	20	30		FDEDRO
COC(=O)[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1cc(F)ccc1F	ZINC000884122684	982905047	/nfs/dbraw/zinc/90/50/47/982905047.db2.gz	XCHRFAYTQIMMDY-SYSYYQPFSA-N	1	0	363.364	1.434	20	30		FDEDRO
CCOC(=O)[C@@]1(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CCc2ccccc21	ZINC000884138945	982921241	/nfs/dbraw/zinc/92/12/41/982921241.db2.gz	DMNJVTJMTVFUTI-WKQASXCGSA-N	1	0	367.449	1.647	20	30		FDEDRO
CC[C@@H](C(=O)OCC#CCN1C(=O)c2ccccc2C1=O)[NH+](CC)CC	ZINC000859568057	982921789	/nfs/dbraw/zinc/92/17/89/982921789.db2.gz	YXIFMVRXEDPMFV-KRWDZBQOSA-N	1	0	356.422	1.950	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCC(=O)OCc1ccccc1Cl)C2	ZINC000884139210	982922041	/nfs/dbraw/zinc/92/20/41/982922041.db2.gz	MRAHGJIBQKXZLS-TXKKKEFDSA-N	1	0	361.829	1.639	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCN(Cc3cccc(F)c3)C(=O)C1)C2	ZINC000884154880	982932563	/nfs/dbraw/zinc/93/25/63/982932563.db2.gz	QEPICOGYCSJGAH-LFDOHDQPSA-N	1	0	370.428	1.136	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCc1ccn(-c3ccc(F)cc3)n1)C2	ZINC000884156501	982933985	/nfs/dbraw/zinc/93/39/85/982933985.db2.gz	CYMUEOADYLETKA-RDYUPDBUSA-N	1	0	367.428	1.809	20	30		FDEDRO
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1nnc(-c3ccccc3)s1)C2	ZINC000884168043	982943332	/nfs/dbraw/zinc/94/33/32/982943332.db2.gz	WGSUEVPEVXWQKG-FVRSWCFKSA-N	1	0	353.451	1.961	20	30		FDEDRO
CCN(CC[NH3+])C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1	ZINC000859635858	982952209	/nfs/dbraw/zinc/95/22/09/982952209.db2.gz	QWOCZNSODVQYMH-CYVLTUHYSA-N	1	0	367.475	1.312	20	30		FDEDRO
Cc1ccc([C@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)N2CCOCC2)o1	ZINC000884182054	982957052	/nfs/dbraw/zinc/95/70/52/982957052.db2.gz	XMXHHGHDRBMMGB-RXCRORICSA-N	1	0	372.469	1.217	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1ccc(N3CCC(O)CC3)cc1)C2	ZINC000884186473	982962264	/nfs/dbraw/zinc/96/22/64/982962264.db2.gz	AWLWPHWGNUHMOV-RDYUPDBUSA-N	1	0	354.454	1.726	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1	ZINC000884211783	982988519	/nfs/dbraw/zinc/98/85/19/982988519.db2.gz	NSJNHINIGWBULI-NJAFHUGGSA-N	1	0	359.470	1.602	20	30		FDEDRO
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884219896	982994206	/nfs/dbraw/zinc/99/42/06/982994206.db2.gz	ADMRKSXHNNSDRZ-OHESCVLLSA-N	1	0	352.482	1.859	20	30		FDEDRO
CN(C)CC(=O)Nc1ccc(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc1	ZINC000884219859	982994220	/nfs/dbraw/zinc/99/42/20/982994220.db2.gz	ZEHPBYBLVMIPJP-BIWSTMPVSA-N	1	0	355.442	1.265	20	30		FDEDRO
COc1ccccc1N1CC[C@@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1	ZINC000884228542	983002938	/nfs/dbraw/zinc/00/29/38/983002938.db2.gz	SGKZTGQYVKHTSI-KMFGOTIKSA-N	1	0	354.454	1.529	20	30		FDEDRO
C#CCN1CCN(C(=O)C[N@@H+](CCOCC)[C@@H]2CCc3ccccc32)CC1	ZINC000859830455	983037611	/nfs/dbraw/zinc/03/76/11/983037611.db2.gz	WEUNGRWWCWHCQG-OAQYLSRUSA-N	1	0	369.509	1.790	20	30		FDEDRO
CC[C@H]1C[C@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CC(=O)N1	ZINC000332537212	983071634	/nfs/dbraw/zinc/07/16/34/983071634.db2.gz	VBQBAHHFRUMMGH-ROUUACIJSA-N	1	0	368.481	1.966	20	30		FDEDRO
CC[C@@H]1C[C@@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CC(=O)N1	ZINC000332537210	983072117	/nfs/dbraw/zinc/07/21/17/983072117.db2.gz	VBQBAHHFRUMMGH-QZTJIDSGSA-N	1	0	368.481	1.966	20	30		FDEDRO
C=CCOC(=O)[C@@H](N)CC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000884314690	983076947	/nfs/dbraw/zinc/07/69/47/983076947.db2.gz	RPYNKYIKFLXECQ-WMZOPIPTSA-N	1	0	359.470	1.556	20	30		FDEDRO
COc1ccc(N2CC[C@H](NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)C2)cc1	ZINC000884398002	983137354	/nfs/dbraw/zinc/13/73/54/983137354.db2.gz	SXRBHKKFGGHQHL-SIRSKZSMSA-N	1	0	354.454	1.529	20	30		FDEDRO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(N3CCC(O)CC3)cc1)C2	ZINC000884416736	983145531	/nfs/dbraw/zinc/14/55/31/983145531.db2.gz	LHIZDYFBHYISBC-BQIYRTECSA-N	1	0	368.481	1.403	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](NC(C)=O)C1CCCC1)C2	ZINC001110788938	983541900	/nfs/dbraw/zinc/54/19/00/983541900.db2.gz	CWQCXYZZXIRGOZ-YRXWBPOGSA-N	1	0	361.486	1.053	20	30		FDEDRO
C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nc(C)c(C)nc1C)C2	ZINC001110789450	983552188	/nfs/dbraw/zinc/55/21/88/983552188.db2.gz	ZRLIOYUHGQPBPW-VQHPVUNQSA-N	1	0	371.485	1.428	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)OC[C@@]3(C)C[C@@H](OC)C[N@@H+]3C)cc2C1=O	ZINC000861341053	983692259	/nfs/dbraw/zinc/69/22/59/983692259.db2.gz	MTJFBCWJSDISGR-JLTOFOAXSA-N	1	0	372.421	1.735	20	30		FDEDRO
N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)OCC[NH+]3CCC3)C2=O)cc1	ZINC000861388525	983710798	/nfs/dbraw/zinc/71/07/98/983710798.db2.gz	WJAQOSGPDGYXTK-OAHLLOKOSA-N	1	0	356.382	1.012	20	30		FDEDRO
C=C(CC[NH+](C)C)C(=O)N[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1	ZINC001588636851	983757158	/nfs/dbraw/zinc/75/71/58/983757158.db2.gz	XCIIGEQHDBISSZ-HXUWFJFHSA-N	1	0	359.470	1.730	20	30		FDEDRO
C#Cc1cccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1	ZINC000861515613	983758444	/nfs/dbraw/zinc/75/84/44/983758444.db2.gz	HPPJOCZEVIHDBO-TZMCWYRMSA-N	1	0	353.344	1.592	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1	ZINC000861618025	983793612	/nfs/dbraw/zinc/79/36/12/983793612.db2.gz	RGVWDDALNSSVKL-IMJJTQAJSA-N	1	0	350.463	1.698	20	30		FDEDRO
CCCCCCCNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1	ZINC000861786311	983920591	/nfs/dbraw/zinc/92/05/91/983920591.db2.gz	VLKYHELFULDZLW-SJORKVTESA-N	1	0	353.507	1.818	20	30		FDEDRO
C=CCCN(OCc1ccccc1)C(=O)C(=O)NCC1([NH3+])CCOCC1	ZINC000861796045	983926524	/nfs/dbraw/zinc/92/65/24/983926524.db2.gz	QVAIFOZHTYTIAU-UHFFFAOYSA-N	1	0	361.442	1.147	20	30		FDEDRO
COC(=O)[C@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)CC[N@H+](C)C1	ZINC000861990015	984027954	/nfs/dbraw/zinc/02/79/54/984027954.db2.gz	UGERREYAMXIFRN-QGZVFWFLSA-N	1	0	369.465	1.933	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1	ZINC000862092218	984105697	/nfs/dbraw/zinc/10/56/97/984105697.db2.gz	UFQZXOFNVNMZLT-MRXNPFEDSA-N	1	0	373.428	1.909	20	30		FDEDRO
C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCCS1(=O)=O)C2	ZINC001110817329	984343305	/nfs/dbraw/zinc/34/33/05/984343305.db2.gz	YZNQFTNJNZXRKW-OAGGEKHMSA-N	1	0	355.504	1.100	20	30		FDEDRO
C=CCCC[C@@H](NC(=O)C(=O)NCCN1CC[NH2+]CC1)c1ccccc1	ZINC000884677965	984679302	/nfs/dbraw/zinc/67/93/02/984679302.db2.gz	KLUGESUSXPOVKU-GOSISDBHSA-N	1	0	358.486	1.222	20	30		FDEDRO
N#CC1(CNC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)CCCCC1	ZINC000884786171	984793320	/nfs/dbraw/zinc/79/33/20/984793320.db2.gz	LFBFEAUVCFLGIG-UHFFFAOYSA-N	1	0	354.454	1.539	20	30		FDEDRO
C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(C#N)cc1	ZINC000869228465	984958044	/nfs/dbraw/zinc/95/80/44/984958044.db2.gz	JBEDWRNTPUREMY-INIZCTEOSA-N	1	0	360.458	1.672	20	30		FDEDRO
C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@@H+]1CC[C@@H](O)C1	ZINC000869462706	985121958	/nfs/dbraw/zinc/12/19/58/985121958.db2.gz	XDRHCXYQZCGISF-OLZOCXBDSA-N	1	0	361.870	1.205	20	30		FDEDRO
C=CCCCCCN(C)C(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2	ZINC000885149329	985204465	/nfs/dbraw/zinc/20/44/65/985204465.db2.gz	YQMRIVCJHIBEBS-MRXNPFEDSA-N	1	0	351.491	1.466	20	30		FDEDRO
C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1ccc(CCC#N)cc1)CCO2	ZINC000885267980	985275831	/nfs/dbraw/zinc/27/58/31/985275831.db2.gz	OBEYSNWYIPACAI-UHFFFAOYSA-N	1	0	363.483	1.628	20	30		FDEDRO
C[C@@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000885847863	985695244	/nfs/dbraw/zinc/69/52/44/985695244.db2.gz	LRTVGXDYSOVZMA-CYBMUJFWSA-N	1	0	360.414	1.992	20	30		FDEDRO
C[C@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCC2)CCN1C[C@H](O)CC1(C#N)CCC1	ZINC000886066777	985857883	/nfs/dbraw/zinc/85/78/83/985857883.db2.gz	CPQXUXOOKKFUMI-GBESFXJTSA-N	1	0	374.529	1.882	20	30		FDEDRO
C#CC[C@H]1CC[N@@H+](CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)C1	ZINC000886362588	986101353	/nfs/dbraw/zinc/10/13/53/986101353.db2.gz	DWYDMFXCXAYBID-KRWDZBQOSA-N	1	0	353.466	1.753	20	30		FDEDRO
C#CCN(C[C@H](O)C[N@@H+](C)C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886425946	986202001	/nfs/dbraw/zinc/20/20/01/986202001.db2.gz	BBZUAGKTAODLEE-GOSISDBHSA-N	1	0	365.518	1.776	20	30		FDEDRO
C#CCN(C(=O)Cc1cccnc1Br)C1CC[NH+](C)CC1	ZINC000886577415	986378006	/nfs/dbraw/zinc/37/80/06/986378006.db2.gz	IHEOLUBTVULJMH-UHFFFAOYSA-N	1	0	350.260	1.943	20	30		FDEDRO
C#CCN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C1CC[NH+](C)CC1	ZINC000886581128	986384281	/nfs/dbraw/zinc/38/42/81/986384281.db2.gz	KLYODROBEJDCCF-UHFFFAOYSA-N	1	0	368.397	1.345	20	30		FDEDRO
C#CCN(C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C1CC[NH+](C)CC1	ZINC000886582525	986386067	/nfs/dbraw/zinc/38/60/67/986386067.db2.gz	YHCFKTIVCRYUHN-HNNXBMFYSA-N	1	0	357.429	1.735	20	30		FDEDRO
C#CCN(C(=O)CSCC(=O)Nc1cc(C)on1)C1CC[NH+](C)CC1	ZINC000886587389	986392741	/nfs/dbraw/zinc/39/27/41/986392741.db2.gz	UOMBDTGQNHHSNO-UHFFFAOYSA-N	1	0	364.471	1.211	20	30		FDEDRO
N#CCc1ccsc1C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000870852937	986432936	/nfs/dbraw/zinc/43/29/36/986432936.db2.gz	OHILYKSGZADFLD-ZFWWWQNUSA-N	1	0	360.483	1.535	20	30		FDEDRO
COCC1(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)CC[NH2+]CC1	ZINC000870981671	986558825	/nfs/dbraw/zinc/55/88/25/986558825.db2.gz	OKTHDTIZPPQKMI-UHFFFAOYSA-N	1	0	360.433	1.362	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CC1	ZINC000870981703	986559342	/nfs/dbraw/zinc/55/93/42/986559342.db2.gz	PYONIIYLGJRSHL-SFHVURJKSA-N	1	0	352.413	1.916	20	30		FDEDRO
N#CCCc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1	ZINC000886889342	986692957	/nfs/dbraw/zinc/69/29/57/986692957.db2.gz	QOHJPYRLRWVOEH-GXTWGEPZSA-N	1	0	361.389	1.900	20	30		FDEDRO
COCCC1(NS(=O)(=O)c2ccc(CCC#N)cc2)CC[NH2+]CC1	ZINC000886889519	986693171	/nfs/dbraw/zinc/69/31/71/986693171.db2.gz	YKRVUOGARVJVID-UHFFFAOYSA-N	1	0	351.472	1.580	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1	ZINC000871804481	987249302	/nfs/dbraw/zinc/24/93/02/987249302.db2.gz	BRZRKUPSMSRWHQ-GVDBMIGSSA-N	1	0	363.483	1.916	20	30		FDEDRO
Cc1ccc(S(=O)(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(C#N)c1	ZINC000871806429	987252447	/nfs/dbraw/zinc/25/24/47/987252447.db2.gz	HIWNKAXIDCJIAV-KRWDZBQOSA-N	1	0	363.483	1.646	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C	ZINC000872223207	987524699	/nfs/dbraw/zinc/52/46/99/987524699.db2.gz	OCXHDGITTSZTBV-HZPDHXFCSA-N	1	0	368.522	1.818	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1COc2cccc(Br)c2C1	ZINC000872234903	987532878	/nfs/dbraw/zinc/53/28/78/987532878.db2.gz	JHKGKIIQSWHEFP-QWHCGFSZSA-N	1	0	368.275	1.549	20	30		FDEDRO
CN(C)S(=O)(=O)c1ccc(N=NC2CCCN3CCSC[C@@H]23)cc1	ZINC000872374484	987623269	/nfs/dbraw/zinc/62/32/69/987623269.db2.gz	CDBLGCVZXGJTGH-INIZCTEOSA-N	1	0	368.528	1.916	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)N(C)CCN(C)C1CC[NH+](C)CC1	ZINC000872438511	987657825	/nfs/dbraw/zinc/65/78/25/987657825.db2.gz	ABCXPHKTQUCZFY-UHFFFAOYSA-N	1	0	364.515	1.513	20	30		FDEDRO
COc1cc[nH+]c(N2CCN(S(=O)(=O)c3c(C)cccc3C#N)CC2)c1	ZINC000872446847	987667100	/nfs/dbraw/zinc/66/71/00/987667100.db2.gz	SMPMCFALXHSTNZ-UHFFFAOYSA-N	1	0	372.450	1.781	20	30		FDEDRO
Cc1cccc(C#N)c1S(=O)(=O)NCCCC[N@@H+]1CCC[C@@H]1CO	ZINC000872454740	987676601	/nfs/dbraw/zinc/67/66/01/987676601.db2.gz	YPPKOIOHVGFQOE-MRXNPFEDSA-N	1	0	351.472	1.382	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H](O)Cc1ccc(F)cc1	ZINC000292922644	987932833	/nfs/dbraw/zinc/93/28/33/987932833.db2.gz	YENURHMXZGFKTI-YOEHRIQHSA-N	1	0	355.417	1.601	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1	ZINC000298902652	987942627	/nfs/dbraw/zinc/94/26/27/987942627.db2.gz	BVFFTXAIBQCTJL-GOSISDBHSA-N	1	0	354.454	1.603	20	30		FDEDRO
N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(NC(=O)C3CCC3)CC2)cc1	ZINC000360194679	987962532	/nfs/dbraw/zinc/96/25/32/987962532.db2.gz	PNPAYYXJNNHBNT-SFHVURJKSA-N	1	0	357.454	1.679	20	30		FDEDRO
CC#CCN(C)C(=O)C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1	ZINC000293242288	988002623	/nfs/dbraw/zinc/00/26/23/988002623.db2.gz	AONKQUWSNYPWGC-UHFFFAOYSA-N	1	0	370.497	1.946	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(NC(=O)N(C)C)c1C	ZINC000293255989	988007087	/nfs/dbraw/zinc/00/70/87/988007087.db2.gz	DTWJMAKOTKKLTH-UHFFFAOYSA-N	1	0	373.457	1.098	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H](C(=O)NCC)C(C)C)c(OC)c1	ZINC000293306243	988026280	/nfs/dbraw/zinc/02/62/80/988026280.db2.gz	PWXDMDCQIUWPMX-LPHOPBHVSA-N	1	0	364.486	1.914	20	30		FDEDRO
C=CCc1cc(C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)c(O)c(OC)c1	ZINC000872796439	988077404	/nfs/dbraw/zinc/07/74/04/988077404.db2.gz	SBPOVEUJEBJPQM-GDBMZVCRSA-N	1	0	351.468	1.996	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(C)nn1-c1ccc(F)cc1	ZINC000293483366	988087503	/nfs/dbraw/zinc/08/75/03/988087503.db2.gz	VTOYXYKMMBTGCZ-UHFFFAOYSA-N	1	0	371.416	1.330	20	30		FDEDRO
N#Cc1ccc(CNC(=O)CN2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)cc1	ZINC000360889712	988193691	/nfs/dbraw/zinc/19/36/91/988193691.db2.gz	OSHVJQGIMAFXHQ-RBUKOAKNSA-N	1	0	356.470	1.096	20	30		FDEDRO
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)cn1	ZINC000872875249	988219863	/nfs/dbraw/zinc/21/98/63/988219863.db2.gz	DCLFMUPWPYGVDF-QZTJIDSGSA-N	1	0	354.458	1.412	20	30		FDEDRO
N#Cc1ccc(C(F)(F)F)nc1N1CCN([C@@H]2CCCCNC2=O)CC1	ZINC000365923010	988228863	/nfs/dbraw/zinc/22/88/63/988228863.db2.gz	YVWOSWBBWUWNDF-CYBMUJFWSA-N	1	0	367.375	1.763	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCO[C@H](c3noc(C4CC4)n3)C2)CC1	ZINC000872902063	988263169	/nfs/dbraw/zinc/26/31/69/988263169.db2.gz	KXKAAPLEVGOHQO-HNNXBMFYSA-N	1	0	361.446	1.680	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)CCC(=O)N1CCC(c2ccccc2)=N1	ZINC000294073104	988297889	/nfs/dbraw/zinc/29/78/89/988297889.db2.gz	VZIVWCHDVDLRHF-UHFFFAOYSA-N	1	0	354.454	1.475	20	30		FDEDRO
C#CCn1ccc(CN(CC)C(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)n1	ZINC000366110854	988420815	/nfs/dbraw/zinc/42/08/15/988420815.db2.gz	WRDSONWFYFAZNQ-HKUYNNGSSA-N	1	0	373.501	1.549	20	30		FDEDRO
N#CCOc1ccc(/C=C/C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1	ZINC000366192735	988525651	/nfs/dbraw/zinc/52/56/51/988525651.db2.gz	PGKGDORRSKIZEW-HNSSHINMSA-N	1	0	355.438	1.972	20	30		FDEDRO
C#CCO[C@H](C)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000294691423	988528873	/nfs/dbraw/zinc/52/88/73/988528873.db2.gz	SKTFHRRFLXIIPJ-CRAIPNDOSA-N	1	0	357.454	1.038	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)ccc1Cl	ZINC000873102912	988550457	/nfs/dbraw/zinc/55/04/57/988550457.db2.gz	BWPWJTFJIWKOHU-MWLCHTKSSA-N	1	0	374.750	1.746	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1	ZINC000873104476	988558027	/nfs/dbraw/zinc/55/80/27/988558027.db2.gz	NCZZBYYKUBTMMX-VXGBXAGGSA-N	1	0	354.332	1.401	20	30		FDEDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000366259117	988580800	/nfs/dbraw/zinc/58/08/00/988580800.db2.gz	YAJUKWHKFDRWEK-IAGOWNOFSA-N	1	0	373.457	1.227	20	30		FDEDRO
C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCC(n2cnc(C#N)n2)CC1	ZINC000366330048	988626805	/nfs/dbraw/zinc/62/68/05/988626805.db2.gz	SLZSCYYXPNMWHF-GJZGRUSLSA-N	1	0	359.478	1.617	20	30		FDEDRO
N#Cc1ncn(C2CCN(C(=O)CC3([NH+]4CCOCC4)CCCC3)CC2)n1	ZINC000366377006	988657231	/nfs/dbraw/zinc/65/72/31/988657231.db2.gz	GBPATMFIWBJBNB-UHFFFAOYSA-N	1	0	372.473	1.348	20	30		FDEDRO
COc1cccc(Cc2cnc(NC(=O)N[C@@H]3C[NH2+]C[C@@H]3C#N)s2)c1	ZINC000873338963	988722519	/nfs/dbraw/zinc/72/25/19/988722519.db2.gz	STQKHCCMJJHYKS-SWLSCSKDSA-N	1	0	357.439	1.976	20	30		FDEDRO
CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCC1(CC#N)CC1	ZINC000366798193	988785484	/nfs/dbraw/zinc/78/54/84/988785484.db2.gz	XPCVIRBKANBBEM-FQEVSTJZSA-N	1	0	356.470	1.959	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(-n2cc(C)cn2)c(F)c1	ZINC000367634395	988957847	/nfs/dbraw/zinc/95/78/47/988957847.db2.gz	OSKLMWXXTCEMIC-CYBMUJFWSA-N	1	0	359.405	1.982	20	30		FDEDRO
Cc1cc(F)c(C#N)cc1NC(=O)C(=O)NCCCC[NH+]1CCOCC1	ZINC000873665453	988958600	/nfs/dbraw/zinc/95/86/00/988958600.db2.gz	NIPPVCBRUFNDKJ-UHFFFAOYSA-N	1	0	362.405	1.173	20	30		FDEDRO
C=CCN(C(=O)CN(C)C(=O)COC)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000363162354	988965498	/nfs/dbraw/zinc/96/54/98/988965498.db2.gz	JCIYXURUKCBPGG-GOSISDBHSA-N	1	0	359.470	1.380	20	30		FDEDRO
C=CCN(CCC(=O)NCC(=O)OC)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000363185359	988976927	/nfs/dbraw/zinc/97/69/27/988976927.db2.gz	XDSVPSZKTKLCLZ-SFHVURJKSA-N	1	0	359.470	1.428	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)cc1C#N	ZINC000873685827	988989334	/nfs/dbraw/zinc/98/93/34/988989334.db2.gz	OJQIBIASZIYQAL-INIZCTEOSA-N	1	0	358.442	1.742	20	30		FDEDRO
C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)C(=O)N(CCC#N)c1ccccc1	ZINC000368497034	988995702	/nfs/dbraw/zinc/99/57/02/988995702.db2.gz	UVSYBZAUBRGFKF-YJLNNSPDSA-N	1	0	354.454	1.969	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCN3CCOC[C@H]3C2)c(OC)c1	ZINC000368813307	989009035	/nfs/dbraw/zinc/00/90/35/989009035.db2.gz	FJTBXXBTRNGESO-QZTJIDSGSA-N	1	0	362.470	1.180	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](OCC3CC3)C2)CC1	ZINC000368800727	989009229	/nfs/dbraw/zinc/00/92/29/989009229.db2.gz	RFGOGGCKXCZFEE-MOPGFXCFSA-N	1	0	362.518	1.570	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N(C)C)c(F)c2)CC1	ZINC000873705991	989026606	/nfs/dbraw/zinc/02/66/06/989026606.db2.gz	IXQPDYBABPPGPE-UHFFFAOYSA-N	1	0	362.449	1.987	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCCCC3)C2)CC1	ZINC000369525064	989058719	/nfs/dbraw/zinc/05/87/19/989058719.db2.gz	KGCBLRSIQJYYFE-GOSISDBHSA-N	1	0	374.529	1.955	20	30		FDEDRO
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1CC(=O)N(C)C1(C#N)CCCCC1	ZINC000369729711	989128003	/nfs/dbraw/zinc/12/80/03/989128003.db2.gz	ALZACMDWJGFVFO-QGZVFWFLSA-N	1	0	362.518	1.856	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(OC)c(C#N)c2)C[C@H]1C	ZINC000873759778	989132977	/nfs/dbraw/zinc/13/29/77/989132977.db2.gz	CXMGLZGTGSMQIN-CJNGLKHVSA-N	1	0	358.442	1.837	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCO2)CC1	ZINC000369757373	989148864	/nfs/dbraw/zinc/14/88/64/989148864.db2.gz	LQGQLABREBYLAF-ZWKOTPCHSA-N	1	0	361.486	1.150	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)CC1	ZINC000369758518	989149815	/nfs/dbraw/zinc/14/98/15/989149815.db2.gz	YMPBGQJGBOKCSB-HXUWFJFHSA-N	1	0	355.482	1.491	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1C#N	ZINC000873769807	989149927	/nfs/dbraw/zinc/14/99/27/989149927.db2.gz	YKVQHFMNVILNQA-INIZCTEOSA-N	1	0	358.442	1.838	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)CC1	ZINC000363418557	989181001	/nfs/dbraw/zinc/18/10/01/989181001.db2.gz	PCBSNFZURAFYAF-UHFFFAOYSA-N	1	0	366.465	1.769	20	30		FDEDRO
C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)nc3)C[C@@H]2[C@@H]1c1ccccc1	ZINC000363555212	989294007	/nfs/dbraw/zinc/29/40/07/989294007.db2.gz	FBSIRSNNIXELCK-MNEFBYGVSA-N	1	0	368.462	1.877	20	30		FDEDRO
CON=C(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1csc(N)n1	ZINC000873857339	989334787	/nfs/dbraw/zinc/33/47/87/989334787.db2.gz	QVOSLUCXDPUEFO-CYBMUJFWSA-N	1	0	359.455	1.467	20	30		FDEDRO
COc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1C#N	ZINC000873880808	989382863	/nfs/dbraw/zinc/38/28/63/989382863.db2.gz	LLJRYJXDFJPHRV-BBRMVZONSA-N	1	0	356.426	1.591	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc2c1OC(C)(C)C=C2	ZINC000873896580	989411854	/nfs/dbraw/zinc/41/18/54/989411854.db2.gz	YKKYJCKQFKSOCP-UHFFFAOYSA-N	1	0	355.438	1.881	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)N1CCN(c2nc(F)c(F)cc2F)CC1	ZINC000296844770	989435327	/nfs/dbraw/zinc/43/53/27/989435327.db2.gz	JNXLSWLTRIPURU-UHFFFAOYSA-N	1	0	369.391	1.286	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)cc1	ZINC000297494130	989550077	/nfs/dbraw/zinc/55/00/77/989550077.db2.gz	MCGZSRDZQBXOCA-UHFFFAOYSA-N	1	0	372.513	1.866	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)N(C)CCC[N@@H+](C)CCN(C)C)cc1	ZINC000297526177	989557309	/nfs/dbraw/zinc/55/73/09/989557309.db2.gz	NZSHEGWUDJUJNA-UHFFFAOYSA-N	1	0	360.502	1.724	20	30		FDEDRO
C#CC[N@@H+](C)CCCNC(=O)N(C)C1CCN(C(=O)c2ccccc2)CC1	ZINC000297589166	989572691	/nfs/dbraw/zinc/57/26/91/989572691.db2.gz	UVDDAXXCESGDHL-UHFFFAOYSA-N	1	0	370.497	1.888	20	30		FDEDRO
C#CCOc1ccc(CNC(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)cc1	ZINC000297611799	989579398	/nfs/dbraw/zinc/57/93/98/989579398.db2.gz	SUYUHZZFBDZREK-LJQANCHMSA-N	1	0	370.497	1.620	20	30		FDEDRO
COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cc(C#N)n(C)c2)C1	ZINC000364501051	989598754	/nfs/dbraw/zinc/59/87/54/989598754.db2.gz	BQPHMRKSFCDZHH-OAHLLOKOSA-N	1	0	370.457	1.376	20	30		FDEDRO
N#Cc1ccc(N2CCC[N@@H+](C[C@H](O)COC3CCOCC3)CC2)cc1	ZINC000370346608	989677312	/nfs/dbraw/zinc/67/73/12/989677312.db2.gz	JPUDQOKCEXNGGL-IBGZPJMESA-N	1	0	359.470	1.627	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](C(=O)NCCCC[NH+]3CCOCC3)C2)c(F)c1	ZINC000370562910	989844392	/nfs/dbraw/zinc/84/43/92/989844392.db2.gz	AQCBYKKCNDFNDV-QGZVFWFLSA-N	1	0	374.460	1.752	20	30		FDEDRO
N#CC[C@@H]1CC[C@H](NC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1	ZINC000298029449	989847701	/nfs/dbraw/zinc/84/77/01/989847701.db2.gz	GNGVEUJEQOSNPC-ZYSHUDEJSA-N	1	0	356.470	1.787	20	30		FDEDRO
COc1cc(/C=C/C(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)ccc1OCC#N	ZINC000364924968	989894856	/nfs/dbraw/zinc/89/48/56/989894856.db2.gz	XRIXULWCJHUEMB-BIENSFFJSA-N	1	0	373.453	1.526	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H](Cc3nnc4ccccn43)C2)CC1	ZINC000370697608	989937488	/nfs/dbraw/zinc/93/74/88/989937488.db2.gz	GVHDGPQUNVEJOU-QGZVFWFLSA-N	1	0	365.481	1.856	20	30		FDEDRO
COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1	ZINC000298270195	990001964	/nfs/dbraw/zinc/00/19/64/990001964.db2.gz	NRBHTWQXYNKNFA-QYZOEREBSA-N	1	0	358.438	1.882	20	30		FDEDRO
C[C@H](NC(=O)C(C)(C)C)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000298501854	990134402	/nfs/dbraw/zinc/13/44/02/990134402.db2.gz	NUEYMPFYOXAACH-HNNXBMFYSA-N	1	0	358.486	1.999	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000874368029	990194188	/nfs/dbraw/zinc/19/41/88/990194188.db2.gz	NBHVUJRIWRLBJF-KGLIPLIRSA-N	1	0	358.446	1.143	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCc2c[nH]nc2C1	ZINC000371139562	990274338	/nfs/dbraw/zinc/27/43/38/990274338.db2.gz	MHLKOFJXCPFRLV-SFHVURJKSA-N	1	0	366.469	1.912	20	30		FDEDRO
CCCCCCCCOCC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000365572743	990297616	/nfs/dbraw/zinc/29/76/16/990297616.db2.gz	NVWXNQFFHAXDGA-IBGZPJMESA-N	1	0	369.550	1.886	20	30		FDEDRO
N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)s2)cc1	ZINC000371249823	990319773	/nfs/dbraw/zinc/31/97/73/990319773.db2.gz	OVVIFPIBVRAGTO-QGZVFWFLSA-N	1	0	367.478	1.934	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cnnn1CC	ZINC001095433126	990342062	/nfs/dbraw/zinc/34/20/62/990342062.db2.gz	YLLUFOGZAKLXNX-MWIANEHASA-N	1	0	359.474	1.501	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cc1	ZINC000371464962	990451472	/nfs/dbraw/zinc/45/14/72/990451472.db2.gz	YIRBMJBDSBXUKN-QGZVFWFLSA-N	1	0	355.482	1.939	20	30		FDEDRO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](n2cc3ccccc3n2)C1	ZINC000371650799	990598493	/nfs/dbraw/zinc/59/84/93/990598493.db2.gz	MPKWVVLRJCPVCL-QGZVFWFLSA-N	1	0	350.426	1.939	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C1(N2CCOCC2)CCC1	ZINC000371696152	990632530	/nfs/dbraw/zinc/63/25/30/990632530.db2.gz	JQIQIGYCJJQLFJ-UHFFFAOYSA-N	1	0	370.497	1.703	20	30		FDEDRO
C=CC(C)(C)CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000875039326	990775645	/nfs/dbraw/zinc/77/56/45/990775645.db2.gz	ALHBTJRTKIEWFJ-INIZCTEOSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CCCC(C)(C)CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000875039945	990776345	/nfs/dbraw/zinc/77/63/45/990776345.db2.gz	GPVQJJQFZOUOFH-QGZVFWFLSA-N	1	0	365.518	1.855	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2cc3cnccc3o2)CC1	ZINC000875182130	991021817	/nfs/dbraw/zinc/02/18/17/991021817.db2.gz	FHDVWAQKSZIODI-ZDUSSCGKSA-N	1	0	356.426	1.772	20	30		FDEDRO
C=CCOc1ccccc1CNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1	ZINC000875204615	991071941	/nfs/dbraw/zinc/07/19/41/991071941.db2.gz	VFVODLRZKVLEEI-SJORKVTESA-N	1	0	357.454	1.420	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1	ZINC000372409856	991085377	/nfs/dbraw/zinc/08/53/77/991085377.db2.gz	LJQAMGASZLSDTC-JFRXWTBNSA-N	1	0	362.518	1.424	20	30		FDEDRO
Cc1cccc(NC(=O)C(=O)N2CCC[N@H+](CC(C)(C)O)CC2)c1C#N	ZINC000372518058	991178415	/nfs/dbraw/zinc/17/84/15/991178415.db2.gz	YYGKPVZPTABKJT-UHFFFAOYSA-N	1	0	358.442	1.110	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@](C)(CO)Cc2ccc(OC)cc2)CC1	ZINC000875247201	991188129	/nfs/dbraw/zinc/18/81/29/991188129.db2.gz	JFUUPHLEQUPBIM-HXUWFJFHSA-N	1	0	361.486	1.938	20	30		FDEDRO
COCCC[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(C#N)c2C)CC1	ZINC000372600801	991257653	/nfs/dbraw/zinc/25/76/53/991257653.db2.gz	PUNWFODZUJXBAB-UHFFFAOYSA-N	1	0	358.442	1.376	20	30		FDEDRO
C=CCN1CC[C@H]([N@@H+](Cc2ccccc2)[C@@H](C)CN2CCOCC2)C1=O	ZINC000410365635	991267288	/nfs/dbraw/zinc/26/72/88/991267288.db2.gz	FCWWWOYOKYZYBS-ICSRJNTNSA-N	1	0	357.498	1.996	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1	ZINC000372627350	991279334	/nfs/dbraw/zinc/27/93/34/991279334.db2.gz	ZOKHAEJAPKVIDI-IEBWSBKVSA-N	1	0	370.497	1.954	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000875306907	991291380	/nfs/dbraw/zinc/29/13/80/991291380.db2.gz	GUMGXPZISMZPTP-BRWVUGGUSA-N	1	0	363.502	1.300	20	30		FDEDRO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1	ZINC000875415740	991508814	/nfs/dbraw/zinc/50/88/14/991508814.db2.gz	SVPFIISNBJICAF-QRVBRYPASA-N	1	0	355.482	1.843	20	30		FDEDRO
C=CC(C)(C)CCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000875463812	991588431	/nfs/dbraw/zinc/58/84/31/991588431.db2.gz	ZEEUMHBGQISNOU-MRXNPFEDSA-N	1	0	351.491	1.465	20	30		FDEDRO
C=C(C)CN(C)C(=O)C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000410811111	991912796	/nfs/dbraw/zinc/91/27/96/991912796.db2.gz	NJPGQQLGACHUTA-IAGOWNOFSA-N	1	0	365.518	1.759	20	30		FDEDRO
COC(=O)C1CC(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000875702431	991920657	/nfs/dbraw/zinc/92/06/57/991920657.db2.gz	ITOQEBPEVWYCQV-UHFFFAOYSA-N	1	0	370.453	1.773	20	30		FDEDRO
Cc1cccc(NC[C@H]2CCN(c3cc(S(N)(=O)=O)ccc3C#N)C2)[nH+]1	ZINC000373374021	992186539	/nfs/dbraw/zinc/18/65/39/992186539.db2.gz	VYRATDINDFPGHA-CQSZACIVSA-N	1	0	371.466	1.848	20	30		FDEDRO
C#CC[C@H](CCOC)NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000875917765	992190671	/nfs/dbraw/zinc/19/06/71/992190671.db2.gz	FWJLNNUSDAPTNK-ZCNNSNEGSA-N	1	0	373.497	1.597	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc(C(=O)OC)cc2OCCOC)CC1	ZINC000875943107	992210723	/nfs/dbraw/zinc/21/07/23/992210723.db2.gz	ZUWSVEICEYNYLW-UHFFFAOYSA-N	1	0	374.437	1.782	20	30		FDEDRO
C#CCO[C@@H](C)C(=O)N(C)c1cc([N+](=O)[O-])cc(N2CC[NH+](CC)CC2)c1	ZINC000876228226	992490049	/nfs/dbraw/zinc/49/00/49/992490049.db2.gz	NGMKUVLYTLCCSP-HNNXBMFYSA-N	1	0	374.441	1.738	20	30		FDEDRO
C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000411664902	992545159	/nfs/dbraw/zinc/54/51/59/992545159.db2.gz	FRGMVCVILNMDCB-CQSZACIVSA-N	1	0	359.474	1.901	20	30		FDEDRO
C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CC(=O)N(CCC#N)CCC#N)C[C@@H](C)O1	ZINC000374028360	992565253	/nfs/dbraw/zinc/56/52/53/992565253.db2.gz	ZMWOWWVGPXYJJQ-KZNAEPCWSA-N	1	0	361.490	1.216	20	30		FDEDRO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC)C1	ZINC000374160095	992657655	/nfs/dbraw/zinc/65/76/55/992657655.db2.gz	LZRBLDLOJBFLFI-BPQIPLTHSA-N	1	0	357.454	1.883	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@@H]2C[NH3+])s1	ZINC000876514246	992678118	/nfs/dbraw/zinc/67/81/18/992678118.db2.gz	CSLWNGJXCWHJRU-GFCCVEGCSA-N	1	0	357.501	1.095	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1	ZINC000876590548	992725054	/nfs/dbraw/zinc/72/50/54/992725054.db2.gz	XBOIGCIGJIDVQR-WBMJQRKESA-N	1	0	365.861	1.991	20	30		FDEDRO
CC(C)N(C)C(=O)C1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876604831	992735514	/nfs/dbraw/zinc/73/55/14/992735514.db2.gz	GEHMRNDMRYRTTG-IBGZPJMESA-N	1	0	368.481	1.850	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)cc1	ZINC000411966812	992740709	/nfs/dbraw/zinc/74/07/09/992740709.db2.gz	MANMRAZBBVGLCW-OAQYLSRUSA-N	1	0	362.433	1.303	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CCCOc1ccc(S(C)(=O)=O)cc1	ZINC000876623704	992749504	/nfs/dbraw/zinc/74/95/04/992749504.db2.gz	QOYJBGPBAARHBC-HNNXBMFYSA-N	1	0	374.890	1.787	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)Cc2cccc(OC)c2)CC1	ZINC000876624882	992751401	/nfs/dbraw/zinc/75/14/01/992751401.db2.gz	RZHABDZURTWQHE-MRXNPFEDSA-N	1	0	365.861	1.378	20	30		FDEDRO
C[C@@H](CCC#N)C[N@H+](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000876630960	992755845	/nfs/dbraw/zinc/75/58/45/992755845.db2.gz	OPMSFCGHGFMMIR-HNNXBMFYSA-N	1	0	352.479	1.937	20	30		FDEDRO
CC(C)N1C(=S)N=NC1CCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000876650742	992771878	/nfs/dbraw/zinc/77/18/78/992771878.db2.gz	IFGJHTJQDSWOIM-MRXNPFEDSA-N	1	0	370.482	1.565	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC[C@H](C(=O)N2CCCC2)C1	ZINC000876659886	992778462	/nfs/dbraw/zinc/77/84/62/992778462.db2.gz	IPVIOHBUXRKXCW-PKOBYXMFSA-N	1	0	366.465	1.606	20	30		FDEDRO
C=C[C@](C)(CC)C(=O)N1C[C@@H](NC(=O)c2cccc3nccn32)[C@@H](O)C1	ZINC000968834778	1015733875	/nfs/dbraw/zinc/73/38/75/1015733875.db2.gz	YJBLFGULAFOLRH-FRIZHTMISA-N	1	0	356.426	1.238	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2	ZINC000876675769	992787304	/nfs/dbraw/zinc/78/73/04/992787304.db2.gz	OEBMNTLODGELNW-NEPJUHHUSA-N	1	0	361.225	1.731	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1	ZINC000876706301	992812200	/nfs/dbraw/zinc/81/22/00/992812200.db2.gz	NKWOLAQDIYFXRZ-UZLBHIALSA-N	1	0	366.465	1.795	20	30		FDEDRO
Cc1csc(N2CCN(C(=O)[C@H]3[NH2+]CCc4cc(C#N)ccc43)CC2)n1	ZINC000876724234	992837416	/nfs/dbraw/zinc/83/74/16/992837416.db2.gz	QUAIXARSEZSSKW-KRWDZBQOSA-N	1	0	367.478	1.859	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1	ZINC000876737807	992854526	/nfs/dbraw/zinc/85/45/26/992854526.db2.gz	VISXHOBBUJTHGJ-AWEZNQCLSA-N	1	0	357.863	1.330	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccco2)C1	ZINC000374617480	992910199	/nfs/dbraw/zinc/91/01/99/992910199.db2.gz	CEKKHWSWCANYTL-KBPBESRZSA-N	1	0	362.430	1.122	20	30		FDEDRO
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)CN1CCN(c2ccccc2)CC1	ZINC000876784796	992912766	/nfs/dbraw/zinc/91/27/66/992912766.db2.gz	KEOQFMUXLYSUMZ-WBVHZDCISA-N	1	0	350.894	1.783	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H]([NH3+])[C@H](CC)C2)s1	ZINC000876834752	992930677	/nfs/dbraw/zinc/93/06/77/992930677.db2.gz	VGOVLHZQPGEVKJ-TZMCWYRMSA-N	1	0	371.528	1.341	20	30		FDEDRO
N#Cc1c[nH]c2cc(C(=O)NC[C@H](N3CC[NH2+]CC3)C(F)(F)F)ccc12	ZINC000876841407	992933552	/nfs/dbraw/zinc/93/35/52/992933552.db2.gz	RBUMUHSBQHIVSI-HNNXBMFYSA-N	1	0	365.359	1.605	20	30		FDEDRO
C=CCOc1ccc(C[NH+]2CCC(N3CCN(C)CC3=O)CC2)cc1OC	ZINC000374745073	992934908	/nfs/dbraw/zinc/93/49/08/992934908.db2.gz	VKMSKCLNUCCQAO-UHFFFAOYSA-N	1	0	373.497	1.998	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CC23CC[NH2+]CC3)s1	ZINC000876854861	992938713	/nfs/dbraw/zinc/93/87/13/992938713.db2.gz	LRQSDUROAKWIPA-CYBMUJFWSA-N	1	0	369.512	1.013	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1	ZINC000876896506	992956602	/nfs/dbraw/zinc/95/66/02/992956602.db2.gz	FUWGHZNTTFKZFN-ZIAGYGMSSA-N	1	0	363.911	1.309	20	30		FDEDRO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCN(c2ccc(F)cn2)CC1	ZINC000876940147	992974906	/nfs/dbraw/zinc/97/49/06/992974906.db2.gz	PJUNKTJAOJOFEV-LJQANCHMSA-N	1	0	365.412	1.628	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)NCCC2CC[NH2+]CC2)s1	ZINC000876951271	992979873	/nfs/dbraw/zinc/97/98/73/992979873.db2.gz	IPJVOUIYEQTLBI-UHFFFAOYSA-N	1	0	371.528	1.261	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H]([NH3+])C[C@@H]2C)s1	ZINC000876952592	992980093	/nfs/dbraw/zinc/98/00/93/992980093.db2.gz	UNOBOUZIHVTUFW-RYUDHWBXSA-N	1	0	357.501	1.093	20	30		FDEDRO
CC(C)(C)N1C[C@H](CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1=O	ZINC000876973653	992991488	/nfs/dbraw/zinc/99/14/88/992991488.db2.gz	MNHUKXGFNWZGEO-KBXCAEBGSA-N	1	0	354.454	1.508	20	30		FDEDRO
C=C(Cl)C[C@H](NC(=O)c1cn(C2CC[NH2+]CC2)nn1)C(=O)OCC	ZINC000877143765	993068965	/nfs/dbraw/zinc/06/89/65/993068965.db2.gz	BMVARRSLWZVJEX-LBPRGKRZSA-N	1	0	355.826	1.007	20	30		FDEDRO
C=C(Cl)C[C@H](NC(=O)[C@@H]([NH3+])Cc1cccc(OC)c1)C(=O)OCC	ZINC000877144146	993068971	/nfs/dbraw/zinc/06/89/71/993068971.db2.gz	IDZWVRVZWGFPRM-GJZGRUSLSA-N	1	0	354.834	1.756	20	30		FDEDRO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(c2ccc(OC)cc2OC)CC1	ZINC000877227292	993117724	/nfs/dbraw/zinc/11/77/24/993117724.db2.gz	HSOVDLBLNXCJNY-CQSZACIVSA-N	1	0	353.850	1.822	20	30		FDEDRO
COc1ccc(N2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)c(OC)c1	ZINC000877227449	993118149	/nfs/dbraw/zinc/11/81/49/993118149.db2.gz	IUTKQOXVTDESPB-UHFFFAOYSA-N	1	0	357.454	1.355	20	30		FDEDRO
N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1cn([C@H]3CCC[NH2+]CC3)nn1)C2	ZINC000877265271	993161963	/nfs/dbraw/zinc/16/19/63/993161963.db2.gz	BAWXMZJVIQRDQE-IRXDYDNUSA-N	1	0	350.426	1.362	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)CC1	ZINC000413232806	993172478	/nfs/dbraw/zinc/17/24/78/993172478.db2.gz	HCEWOHHTDYBJRP-QGZVFWFLSA-N	1	0	360.433	1.881	20	30		FDEDRO
N#CCOc1ccc(C[N@H+]2CC[C@H]3O[C@H](C(=O)NCC4CC4)C[C@H]32)cc1	ZINC001137117957	993196021	/nfs/dbraw/zinc/19/60/21/993196021.db2.gz	JEVLXXWTEPAATI-QRVBRYPASA-N	1	0	355.438	1.847	20	30		FDEDRO
COC(=O)CC[C@@H]1CCCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000877381082	993263089	/nfs/dbraw/zinc/26/30/89/993263089.db2.gz	ZXVZRSUWRPXFRL-LIRRHRJNSA-N	1	0	355.438	1.937	20	30		FDEDRO
C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCc2ncnn21	ZINC001095537956	993300464	/nfs/dbraw/zinc/30/04/64/993300464.db2.gz	QVLOUYVYKIKJOQ-NCOADZHNSA-N	1	0	366.469	1.788	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)Cc1cccc(S(N)(=O)=O)c1	ZINC000877521772	993318391	/nfs/dbraw/zinc/31/83/91/993318391.db2.gz	DBXUBVNMHUMHCZ-UHFFFAOYSA-N	1	0	372.494	1.769	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cnc(C)nc1	ZINC001095556534	993446939	/nfs/dbraw/zinc/44/69/39/993446939.db2.gz	XDQHBRKZHOTLRM-XWSJACJDSA-N	1	0	353.470	1.104	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2C#N)CC[C@H]1C[NH3+]	ZINC000923705229	993502244	/nfs/dbraw/zinc/50/22/44/993502244.db2.gz	YTFGYXKZFHELAC-MNOVXSKESA-N	1	0	372.288	1.926	20	30		FDEDRO
CCOCCC[N@@H+]1CC[C@H](NCC(=O)NCc2ccc(C#N)cc2)[C@@H](C)C1	ZINC000469793043	993882041	/nfs/dbraw/zinc/88/20/41/993882041.db2.gz	BIUTYHGJRPVFQT-PXNSSMCTSA-N	1	0	372.513	1.901	20	30		FDEDRO
N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2CCCNC2=O)C3)c1	ZINC001095682374	993993379	/nfs/dbraw/zinc/99/33/79/993993379.db2.gz	GQHFRPHBNUCVBN-SQNIBIBYSA-N	1	0	367.453	1.195	20	30		FDEDRO
C=C(C)CN(CC)C(=O)C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1	ZINC000470816434	994135490	/nfs/dbraw/zinc/13/54/90/994135490.db2.gz	OKGQAWNESVIEGB-IRXDYDNUSA-N	1	0	363.481	1.745	20	30		FDEDRO
C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	ZINC000968917178	1015862449	/nfs/dbraw/zinc/86/24/49/1015862449.db2.gz	PPXZVRFKYFABLE-MJBXVCDLSA-N	1	0	350.381	1.880	20	30		FDEDRO
CN(C(=O)COC(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1)C(C)(C)C#N	ZINC000924184096	994461902	/nfs/dbraw/zinc/46/19/02/994461902.db2.gz	DWSAMHFPDHLJCX-DHZHZOJOSA-N	1	0	373.453	1.944	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1	ZINC000879214028	994641712	/nfs/dbraw/zinc/64/17/12/994641712.db2.gz	WXNPIQAGUXBSHE-RBSFLKMASA-N	1	0	352.479	1.840	20	30		FDEDRO
C=CCCC[C@@H]1NC(=O)N(Cc2cccnc2N2CC[NH+](C)CC2)C1=O	ZINC000924537880	994803398	/nfs/dbraw/zinc/80/33/98/994803398.db2.gz	CCGTUVNVXIPOLC-INIZCTEOSA-N	1	0	357.458	1.610	20	30		FDEDRO
COC(=O)C1CCN(C(=O)[C@H](C)[N@H+](C)CCc2cccc(C#N)c2)CC1	ZINC000879433473	994910548	/nfs/dbraw/zinc/91/05/48/994910548.db2.gz	UBIZQXSYJRIBOI-HNNXBMFYSA-N	1	0	357.454	1.833	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)CC1	ZINC000965199018	1015901054	/nfs/dbraw/zinc/90/10/54/1015901054.db2.gz	WHANZGRXPWLQSY-BBWFWOEESA-N	1	0	363.502	1.559	20	30		FDEDRO
N#Cc1cc(F)ccc1N1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1	ZINC000879591200	995058644	/nfs/dbraw/zinc/05/86/44/995058644.db2.gz	QXUSMEQGXYXYMH-GOSISDBHSA-N	1	0	372.444	1.891	20	30		FDEDRO
C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1C	ZINC000924985115	995211251	/nfs/dbraw/zinc/21/12/51/995211251.db2.gz	DCPKRPYUBGOMPP-JKSUJKDBSA-N	1	0	356.426	1.232	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1	ZINC000879976113	995505467	/nfs/dbraw/zinc/50/54/67/995505467.db2.gz	UKVYIUZLBJYQTR-KURKYZTESA-N	1	0	363.502	1.319	20	30		FDEDRO
C#CCN(C(=O)C(=O)Nc1ccnn1C1CC[NH+](CC)CC1)C1CCCC1	ZINC000128126222	995539971	/nfs/dbraw/zinc/53/99/71/995539971.db2.gz	UAYWJNRVXGQMQR-UHFFFAOYSA-N	1	0	371.485	1.883	20	30		FDEDRO
CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2C(=O)NCC23CCOCC3)ccc1OC	ZINC000925398638	995558430	/nfs/dbraw/zinc/55/84/30/995558430.db2.gz	ZWBDPUKLLXXQTN-CRAIPNDOSA-N	1	0	373.453	1.761	20	30		FDEDRO
C[N@@H+]1CC[C@H]1CNC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000925405573	995567560	/nfs/dbraw/zinc/56/75/60/995567560.db2.gz	WYAORFDOYVWRPJ-INIZCTEOSA-N	1	0	364.453	1.642	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)[C@H](O)c1ccc(C#N)cc1)C2	ZINC000926163103	995950296	/nfs/dbraw/zinc/95/02/96/995950296.db2.gz	WJDSKSFIWOZMTO-YFYQMDMQSA-N	1	0	357.454	1.188	20	30		FDEDRO
CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)COc1cccc(C#N)c1)C2	ZINC000926183854	995965555	/nfs/dbraw/zinc/96/55/55/995965555.db2.gz	QEQLJZQYNMNBPW-JYBIWHBTSA-N	1	0	357.454	1.533	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)N3CC[C@@H](N4CC[NH2+]CC4)C3)cc21	ZINC000926215944	995979001	/nfs/dbraw/zinc/97/90/01/995979001.db2.gz	CVOGCMDAEFRDCH-QGZVFWFLSA-N	1	0	354.458	1.734	20	30		FDEDRO
C#CCC[C@@H](O)CNC(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1	ZINC000926792098	996304620	/nfs/dbraw/zinc/30/46/20/996304620.db2.gz	YGKQNPNMLBILBV-LJQANCHMSA-N	1	0	373.497	1.741	20	30		FDEDRO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCC[C@@H]3CNC(=O)C3)CC2)cc1	ZINC000926969986	996383525	/nfs/dbraw/zinc/38/35/25/996383525.db2.gz	LVCGEMZYJFHUCK-SFHVURJKSA-N	1	0	369.469	1.302	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1ccnn1C)C2	ZINC000965425239	1016060238	/nfs/dbraw/zinc/06/02/38/1016060238.db2.gz	SAHJNRBWOWUIQU-ZHXPNREASA-N	1	0	358.486	1.918	20	30		FDEDRO
C#CCC1([NH2+]CC(=O)N2CCN(Cc3ccccc3)CC2)CCOCC1	ZINC000887125696	996955377	/nfs/dbraw/zinc/95/53/77/996955377.db2.gz	GANODWVHOAEXOR-UHFFFAOYSA-N	1	0	355.482	1.493	20	30		FDEDRO
C[N@H+](CCCF)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000887141283	996964436	/nfs/dbraw/zinc/96/44/36/996964436.db2.gz	MRMDYBXRIGUJJD-KRWDZBQOSA-N	1	0	350.413	1.826	20	30		FDEDRO
CCCNC(=O)CNC(NCc1ccc(OC)cc1)=[NH+]CCCOCC	ZINC000263949074	997364281	/nfs/dbraw/zinc/36/42/81/997364281.db2.gz	GGMTVHTWVXVBEZ-UHFFFAOYSA-N	1	0	364.490	1.683	20	30		FDEDRO
NC(=O)CNC(=O)c1ccc(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)cc1	ZINC000264075228	997395625	/nfs/dbraw/zinc/39/56/25/997395625.db2.gz	HGFOFKCAJJUJJW-UHFFFAOYSA-N	1	0	365.437	1.317	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NC[C@@H]1CCCO[C@H]1c1ccccc1	ZINC000264073010	997395646	/nfs/dbraw/zinc/39/56/46/997395646.db2.gz	DRJMSHRBRZPZJL-OALUTQOASA-N	1	0	360.502	1.781	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](O)c2ccccc2OC)CC1	ZINC000264135389	997411766	/nfs/dbraw/zinc/41/17/66/997411766.db2.gz	ZLYYXCCMULPPSH-OAHLLOKOSA-N	1	0	364.446	1.254	20	30		FDEDRO
C[N@H+](CCNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)C1CCCC1	ZINC000264322975	997461034	/nfs/dbraw/zinc/46/10/34/997461034.db2.gz	QDDMFTXAGHNNDU-UHFFFAOYSA-N	1	0	356.474	1.659	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC#Cc2ccccc2)CC1=O	ZINC000264357163	997476459	/nfs/dbraw/zinc/47/64/59/997476459.db2.gz	AQXVTWSVMQYHRG-RBUKOAKNSA-N	1	0	353.466	1.487	20	30		FDEDRO
C#CC[C@@H]1CCN(C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)C1	ZINC000888016583	998022713	/nfs/dbraw/zinc/02/27/13/998022713.db2.gz	RJQIZSKBZKLEIO-QGZVFWFLSA-N	1	0	369.469	1.175	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CN(Cc3ccc(C)cc3)CCO2)CC1	ZINC000826605325	998151835	/nfs/dbraw/zinc/15/18/35/998151835.db2.gz	PMHQHQYWFCFDGL-NRFANRHFSA-N	1	0	369.509	1.657	20	30		FDEDRO
CN1CC[NH+](CC2(C)CCN(C(=O)Nc3ccc(C#N)cn3)CC2)CC1	ZINC000889233137	998238288	/nfs/dbraw/zinc/23/82/88/998238288.db2.gz	RIEDTBCZGHGKOG-UHFFFAOYSA-N	1	0	356.474	1.835	20	30		FDEDRO
CN(C)[C@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)c1ccco1	ZINC000104154377	998308447	/nfs/dbraw/zinc/30/84/47/998308447.db2.gz	NAVOYOKXNCCHEV-CQSZACIVSA-N	1	0	365.478	1.750	20	30		FDEDRO
[NH2+]=C(NCC(=O)NCCc1ccccc1)Nc1ccc2c(c1)OCCCO2	ZINC000104182952	998315507	/nfs/dbraw/zinc/31/55/07/998315507.db2.gz	JPDZLCYRBKHVNY-UHFFFAOYSA-N	1	0	368.437	1.933	20	30		FDEDRO
N#Cc1cccc(-c2cc(C(=O)N3CC[C@@H]4[C@@H]3CCC[N@H+]4CCO)on2)c1	ZINC000889758355	998610744	/nfs/dbraw/zinc/61/07/44/998610744.db2.gz	ZHEJRXBLDDGRLR-MSOLQXFVSA-N	1	0	366.421	1.884	20	30		FDEDRO
C#CCN1CCC[C@@H](NC(=O)N[C@@](C)(CO)Cc2ccc(OC)cc2)C1	ZINC000890360952	998913471	/nfs/dbraw/zinc/91/34/71/998913471.db2.gz	GLFZVTVZDUXRJJ-YLJYHZDGSA-N	1	0	359.470	1.386	20	30		FDEDRO
CN(CCC[NH+](C)C)CCNC(=O)C(=O)Nc1ccc(C2CC2)c(C#N)c1	ZINC000890372166	998918246	/nfs/dbraw/zinc/91/82/46/998918246.db2.gz	GLPKSLKRGUVRCR-UHFFFAOYSA-N	1	0	371.485	1.374	20	30		FDEDRO
CSc1ccc(CNC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)cc1C#N	ZINC000890447605	998947259	/nfs/dbraw/zinc/94/72/59/998947259.db2.gz	HKNJEBQQDSQTPZ-ZIAGYGMSSA-N	1	0	362.499	1.877	20	30		FDEDRO
C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1cnn(C)c1	ZINC001110863475	999072818	/nfs/dbraw/zinc/07/28/18/999072818.db2.gz	KMOSAHZVXPVYAZ-FTEYMNFISA-N	1	0	360.502	1.913	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](O)COCCOC)cc1	ZINC001110883399	999110900	/nfs/dbraw/zinc/11/09/00/999110900.db2.gz	CXUINMBZSAVCFC-WTGUMLROSA-N	1	0	372.465	1.027	20	30		FDEDRO
N#Cc1ccc(OC2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1	ZINC000266517477	999178548	/nfs/dbraw/zinc/17/85/48/999178548.db2.gz	GZSOBVSUTOEJJX-INIZCTEOSA-N	1	0	371.397	1.567	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CS3)CC1	ZINC000266762730	999229157	/nfs/dbraw/zinc/22/91/57/999229157.db2.gz	UACCLFRRADMDJH-UHFFFAOYSA-N	1	0	374.466	1.436	20	30		FDEDRO
N#Cc1c(N)n[nH]c1CCCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1	ZINC000267378421	999323706	/nfs/dbraw/zinc/32/37/06/999323706.db2.gz	ALTUHKOUDRJYTL-UHFFFAOYSA-N	1	0	365.363	1.919	20	30		FDEDRO
COc1ccc(CNC(=[NH2+])NCCn2c3ccccc3[nH]c2=O)cc1OC	ZINC000267728390	999386481	/nfs/dbraw/zinc/38/64/81/999386481.db2.gz	VPGJDOBTDBQXEV-UHFFFAOYSA-N	1	0	369.425	1.451	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCc3ccc(O)cc3)=[NH+]C[C@H]2C1	ZINC000268105107	999430537	/nfs/dbraw/zinc/43/05/37/999430537.db2.gz	XUDLGGNYHCGIGB-HNNXBMFYSA-N	1	0	360.458	1.815	20	30		FDEDRO
C[C@@H](O)C[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)c1ccccc1	ZINC000268460608	999440073	/nfs/dbraw/zinc/44/00/73/999440073.db2.gz	UHWZZSFTRDAGOH-SJLPKXTDSA-N	1	0	368.485	1.468	20	30		FDEDRO
COC(=O)c1c(C)[nH]c(C(O)=CONC(=[NH2+])c2ccc3c(c2)CCO3)c1C	ZINC000269879229	999480003	/nfs/dbraw/zinc/48/00/03/999480003.db2.gz	RDQPXBFLZRESSJ-UHFFFAOYSA-N	1	0	371.393	1.873	20	30		FDEDRO
NC(=[NH+]OCCCN1C(=O)CNC1=O)c1ccc(N2CCCCC2)cc1	ZINC000270263005	999533134	/nfs/dbraw/zinc/53/31/34/999533134.db2.gz	PRVWEPCSIBPZQU-UHFFFAOYSA-N	1	0	359.430	1.256	20	30		FDEDRO
CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1	ZINC000271000005	999647523	/nfs/dbraw/zinc/64/75/23/999647523.db2.gz	BQTJXYNMSVIUKT-HNNXBMFYSA-N	1	0	360.462	1.424	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)nn1CCC#N	ZINC000271003541	999648021	/nfs/dbraw/zinc/64/80/21/999648021.db2.gz	CFYSTTREWFXBQN-INIZCTEOSA-N	1	0	372.473	1.521	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)nn1CCC#N	ZINC000271005632	999648423	/nfs/dbraw/zinc/64/84/23/999648423.db2.gz	IGASXBBFGUKWNW-ZFWWWQNUSA-N	1	0	360.462	1.280	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1	ZINC000271641764	999720297	/nfs/dbraw/zinc/72/02/97/999720297.db2.gz	BDMVUHMUAAKYHM-STQMWFEESA-N	1	0	360.414	1.694	20	30		FDEDRO
CN(CC[N@H+](C)C1CCN(C)CC1)CC(=O)NCc1ccc(C#N)cc1	ZINC000271670589	999723749	/nfs/dbraw/zinc/72/37/49/999723749.db2.gz	HZUYWUCCWDYBIR-UHFFFAOYSA-N	1	0	357.502	1.132	20	30		FDEDRO
C[C@H](NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(C#N)cc1	ZINC000283977809	999763591	/nfs/dbraw/zinc/76/35/91/999763591.db2.gz	LVUJMKQFTQCFFZ-OAGGEKHMSA-N	1	0	372.469	1.351	20	30		FDEDRO
C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NCc1cccc(C#N)c1	ZINC000283994642	999765108	/nfs/dbraw/zinc/76/51/08/999765108.db2.gz	MRZMANYOGBJYNM-IBGZPJMESA-N	1	0	364.449	1.464	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)NCCn1ccnc1C)C(C)C	ZINC000284028004	999773435	/nfs/dbraw/zinc/77/34/35/999773435.db2.gz	LLAPOVBRNJWAPA-KRWDZBQOSA-N	1	0	361.490	1.123	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](COC)C1)C(C)C	ZINC000284075722	999775982	/nfs/dbraw/zinc/77/59/82/999775982.db2.gz	ODMYYERMGMGKEV-QZTJIDSGSA-N	1	0	365.518	1.686	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NCc1ccc(OC)cn1)C(C)C	ZINC000284100405	999776604	/nfs/dbraw/zinc/77/66/04/999776604.db2.gz	POUMKPOZVGDSSF-GOSISDBHSA-N	1	0	374.485	1.521	20	30		FDEDRO
CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)[C@@H](C)C1	ZINC000284134585	999778005	/nfs/dbraw/zinc/77/80/05/999778005.db2.gz	WDXMBNANSOHCLG-MPGHIAIKSA-N	1	0	356.470	1.924	20	30		FDEDRO
Cc1nc2ccccn2c(=O)c1CC[NH+]1CCN(c2ccc(C#N)cn2)CC1	ZINC000284269275	999793765	/nfs/dbraw/zinc/79/37/65/999793765.db2.gz	MQTYIDOHBINPCG-UHFFFAOYSA-N	1	0	374.448	1.634	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1	ZINC000284288687	999798701	/nfs/dbraw/zinc/79/87/01/999798701.db2.gz	MKZGYZGZGNXBHP-SFHVURJKSA-N	1	0	372.513	1.201	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1c(F)cccc1N1CCCC1	ZINC000284992242	999891560	/nfs/dbraw/zinc/89/15/60/999891560.db2.gz	HMGVYURDWDABDO-UHFFFAOYSA-N	1	0	363.481	1.553	20	30		FDEDRO
COCC[N@H+](C)CCNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1	ZINC000285199609	999904132	/nfs/dbraw/zinc/90/41/32/999904132.db2.gz	FFVYTSWFQRFUHL-UHFFFAOYSA-N	1	0	362.449	1.608	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCN2c3ccccc3C[C@H]2C)CC1	ZINC000285902456	999924013	/nfs/dbraw/zinc/92/40/13/999924013.db2.gz	CYAMNFUTSKDYDW-MRXNPFEDSA-N	1	0	370.497	1.320	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)Oc2ccc(F)cc2)CC1	ZINC000286640714	999945633	/nfs/dbraw/zinc/94/56/33/999945633.db2.gz	MYRPOKYXZHFHBW-AWEZNQCLSA-N	1	0	363.433	1.476	20	30		FDEDRO
C=CCC[C@@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)c1ccccc1	ZINC000286800354	999950866	/nfs/dbraw/zinc/95/08/66/999950866.db2.gz	AMYPDFQIXNHHDQ-QZTJIDSGSA-N	1	0	358.486	1.172	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCc3ccc(F)cc3C2)CC1	ZINC000286840890	999952764	/nfs/dbraw/zinc/95/27/64/999952764.db2.gz	YEZGEDJGOYPDKC-UHFFFAOYSA-N	1	0	359.445	1.867	20	30		FDEDRO
C#CC[C@@H](Cc1ccccc1)NC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O	ZINC000287324076	999956414	/nfs/dbraw/zinc/95/64/14/999956414.db2.gz	KOBKIALYVHXYBB-ZWKOTPCHSA-N	1	0	356.470	1.260	20	30		FDEDRO
C#CCN(Cc1ccccc1)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C	ZINC000287653264	999959101	/nfs/dbraw/zinc/95/91/01/999959101.db2.gz	KCURLKKQJXOGSD-LJQANCHMSA-N	1	0	370.497	1.774	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCn1cccc1	ZINC000287851546	999966249	/nfs/dbraw/zinc/96/62/49/999966249.db2.gz	CITQOTCKDSWNHY-UHFFFAOYSA-N	1	0	367.453	1.066	20	30		FDEDRO
COc1cc(/C=C/C(=O)N[C@H](CO)C[NH+]2CCCCC2)ccc1OCC#N	ZINC000288125071	999988694	/nfs/dbraw/zinc/98/86/94/999988694.db2.gz	AIOOUXMAHWZTPQ-JKNJVXJCSA-N	1	0	373.453	1.574	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1	ZINC000288416759	1000015590	/nfs/dbraw/zinc/01/55/90/1000015590.db2.gz	XFHXKOXFPXAYGN-WMZOPIPTSA-N	1	0	359.470	1.475	20	30		FDEDRO
CN(C)c1ncc(CNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)n1C	ZINC000288549618	1000026213	/nfs/dbraw/zinc/02/62/13/1000026213.db2.gz	SUEAFESEPVSXRS-AWEZNQCLSA-N	1	0	370.432	1.640	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1	ZINC000289374903	1000094770	/nfs/dbraw/zinc/09/47/70/1000094770.db2.gz	JYVIRUAGPUSOIJ-UHFFFAOYSA-N	1	0	365.449	1.425	20	30		FDEDRO
N#Cc1cncc(S(=O)(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1	ZINC000289736109	1000116076	/nfs/dbraw/zinc/11/60/76/1000116076.db2.gz	JJHAVXKOOPONRO-UHFFFAOYSA-N	1	0	370.478	1.939	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc1	ZINC000290305615	1000131121	/nfs/dbraw/zinc/13/11/21/1000131121.db2.gz	JCFXRIPVYUTFOW-CQSZACIVSA-N	1	0	360.458	1.386	20	30		FDEDRO
C[C@@H](CC#N)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C	ZINC000290555516	1000144123	/nfs/dbraw/zinc/14/41/23/1000144123.db2.gz	VPNSYTVKNLQMJN-KRWDZBQOSA-N	1	0	367.501	1.918	20	30		FDEDRO
Cc1cccn2c(=O)cc(C[N@@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)nc12	ZINC000292152934	1000214817	/nfs/dbraw/zinc/21/48/17/1000214817.db2.gz	KJNHNFYSCOIOTM-KRWDZBQOSA-N	1	0	361.405	1.923	20	30		FDEDRO
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1	ZINC000927633625	1000948019	/nfs/dbraw/zinc/94/80/19/1000948019.db2.gz	PKIRPKQQJGLPFY-OALUTQOASA-N	1	0	372.469	1.486	20	30		FDEDRO
C=CCn1ncc2ccc(NC(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)cc21	ZINC000927797052	1001055783	/nfs/dbraw/zinc/05/57/83/1001055783.db2.gz	JCHCOUCQLVVEND-IYBDPMFKSA-N	1	0	353.426	1.514	20	30		FDEDRO
C#CCOCCC(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000927840510	1001095846	/nfs/dbraw/zinc/09/58/46/1001095846.db2.gz	BYRJTBNQRBMTIS-UHFFFAOYSA-N	1	0	353.463	1.132	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)ccc1F	ZINC000927849268	1001115689	/nfs/dbraw/zinc/11/56/89/1001115689.db2.gz	PQBYXPFFKYUNCO-ZYHUDNBSSA-N	1	0	358.295	1.374	20	30		FDEDRO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2	ZINC000927926954	1001221670	/nfs/dbraw/zinc/22/16/70/1001221670.db2.gz	JTLFYFNTHPSRKQ-IFXJQAMLSA-N	1	0	356.426	1.661	20	30		FDEDRO
C#CCN1CCC[C@H]1C(=O)N1CCC2(CC1)CNC(=O)c1ccccc1O2	ZINC000928111464	1001389026	/nfs/dbraw/zinc/38/90/26/1001389026.db2.gz	LXTFDTANGNKNGS-KRWDZBQOSA-N	1	0	367.449	1.268	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Cc2cc[nH]c(=O)c2Br)CC1	ZINC000928653022	1001610362	/nfs/dbraw/zinc/61/03/62/1001610362.db2.gz	VQUPGJKRMCJFFN-UHFFFAOYSA-N	1	0	352.232	1.306	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(OC)cc2)CC1	ZINC000928653504	1001610620	/nfs/dbraw/zinc/61/06/20/1001610620.db2.gz	OPQBOFAYBIWEDV-IBGZPJMESA-N	1	0	369.465	1.514	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cc(C)c(OCC(=O)OC)c(C)c2)CC1	ZINC000928656413	1001611788	/nfs/dbraw/zinc/61/17/88/1001611788.db2.gz	UBTIRODDQMQUBT-UHFFFAOYSA-N	1	0	358.438	1.683	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)CCCNC(=O)OCc2ccccc2)CC1	ZINC000928656969	1001612570	/nfs/dbraw/zinc/61/25/70/1001612570.db2.gz	HPXLZTXDNUSGPH-UHFFFAOYSA-N	1	0	357.454	1.907	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)N2CCN(C)CC2)CC1	ZINC000928658108	1001613164	/nfs/dbraw/zinc/61/31/64/1001613164.db2.gz	LLYWTESILHXOSF-FQEVSTJZSA-N	1	0	354.498	1.189	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)Cc2ccc(NC(=O)NCCC)cc2)CC1	ZINC000928657888	1001613340	/nfs/dbraw/zinc/61/33/40/1001613340.db2.gz	CUWNEGWHHKWWCR-UHFFFAOYSA-N	1	0	356.470	1.974	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)NC)ccc2Cl)CC1	ZINC000928658520	1001613973	/nfs/dbraw/zinc/61/39/73/1001613973.db2.gz	KKEKPZSTSQSZIV-UHFFFAOYSA-N	1	0	369.874	1.076	20	30		FDEDRO
C#CC[NH+]1CCC(NC(=O)[C@]23CCC(=O)N2c2ccccc2S3)CC1	ZINC000928659311	1001615201	/nfs/dbraw/zinc/61/52/01/1001615201.db2.gz	KUBOQPQORSLEJO-LJQANCHMSA-N	1	0	355.463	1.829	20	30		FDEDRO
N#Cc1ccc(N[C@@H]2CCCN(C(=O)C3C[NH+]([C@@H]4CCOC4)C3)C2)nc1	ZINC000928718687	1001635365	/nfs/dbraw/zinc/63/53/65/1001635365.db2.gz	ANZFSTNSAPKHML-IAGOWNOFSA-N	1	0	355.442	1.077	20	30		FDEDRO
C[NH+](C)CCn1nccc1C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1	ZINC000928721783	1001637381	/nfs/dbraw/zinc/63/73/81/1001637381.db2.gz	ORBYELWRIBVZAG-INIZCTEOSA-N	1	0	367.457	1.428	20	30		FDEDRO
C[NH+](C)CCn1c2cc(C(=O)N[C@H](CC#N)C(F)(F)F)ccc2[nH]c1=O	ZINC000928800648	1001672373	/nfs/dbraw/zinc/67/23/73/1001672373.db2.gz	NXMIFNYQEGUTJR-CYBMUJFWSA-N	1	0	369.347	1.878	20	30		FDEDRO
C#CCN(C(=O)C(=O)NC[C@@H](C)N(C)c1ccccc1)C1CC[NH+](C)CC1	ZINC000929405973	1002014718	/nfs/dbraw/zinc/01/47/18/1002014718.db2.gz	WLIROIRVGLKCPG-QGZVFWFLSA-N	1	0	370.497	1.184	20	30		FDEDRO
C#CCNC(=O)C1CC[NH+](Cc2ccc(C(=O)OC)c3cccnc23)CC1	ZINC000929419932	1002031758	/nfs/dbraw/zinc/03/17/58/1002031758.db2.gz	PAYNZTKELXZBHO-UHFFFAOYSA-N	1	0	365.433	1.983	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)Nc2ccc3ccn(CC(=O)NC)c3c2)CC1	ZINC000075805489	1002074752	/nfs/dbraw/zinc/07/47/52/1002074752.db2.gz	DORZZRUPIABAKE-UHFFFAOYSA-N	1	0	352.438	1.671	20	30		FDEDRO
CCN(CC)C(=O)COc1cccc(NC(=O)NCC#CC[NH+](C)C)c1	ZINC000929535588	1002177895	/nfs/dbraw/zinc/17/78/95/1002177895.db2.gz	CNCUZRSFPSLZGD-UHFFFAOYSA-N	1	0	360.458	1.620	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3ncccc3C)C[C@H]2C)CC1	ZINC000948235748	1002197160	/nfs/dbraw/zinc/19/71/60/1002197160.db2.gz	GWMFUVDKSUFARX-SJLPKXTDSA-N	1	0	368.481	1.312	20	30		FDEDRO
C=CCNC(=O)CN1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)o2)CC1	ZINC000929566990	1002212362	/nfs/dbraw/zinc/21/23/62/1002212362.db2.gz	BDSUKZSQOQZZKU-UHFFFAOYSA-N	1	0	374.485	1.326	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1	ZINC000948422472	1002323822	/nfs/dbraw/zinc/32/38/22/1002323822.db2.gz	MZABICSZZBFXHE-SJORKVTESA-N	1	0	363.502	1.417	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1cccnc1OCCC)C1CC[NH+](C)CC1	ZINC000929737792	1002386480	/nfs/dbraw/zinc/38/64/80/1002386480.db2.gz	MPLNQNYWXGALFG-UHFFFAOYSA-N	1	0	372.469	1.043	20	30		FDEDRO
C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C)[NH+]1CCCCCC1	ZINC000948579834	1002466910	/nfs/dbraw/zinc/46/69/10/1002466910.db2.gz	NFDBSRDKQIWJSK-RVKKMQEKSA-N	1	0	371.485	1.728	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCC(C)(C)c1cccc(C)c1)C1CC[NH+](C)CC1	ZINC000929807622	1002478615	/nfs/dbraw/zinc/47/86/15/1002478615.db2.gz	CEAGZBRCJSSYGU-UHFFFAOYSA-N	1	0	369.509	1.945	20	30		FDEDRO
COC(=O)[C@@H]1CCCC[C@H]1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000929825122	1002495127	/nfs/dbraw/zinc/49/51/27/1002495127.db2.gz	NEBHIGHMRSNMMQ-OWCLPIDISA-N	1	0	357.458	1.838	20	30		FDEDRO
C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1	ZINC000948639535	1002529156	/nfs/dbraw/zinc/52/91/56/1002529156.db2.gz	XSIMMKJXRZWPIC-QRVBRYPASA-N	1	0	365.518	1.365	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)/C=C/c3ccc[nH]3)C[C@H]2C)CC1	ZINC000948689902	1002567285	/nfs/dbraw/zinc/56/72/85/1002567285.db2.gz	HFRRXEFSDNKYRN-HVMFBIMJSA-N	1	0	368.481	1.336	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H](CC)Cc1ccccc1)C1CC[NH+](C)CC1	ZINC000929918095	1002595544	/nfs/dbraw/zinc/59/55/44/1002595544.db2.gz	ITVYJXFULLUERM-SFHVURJKSA-N	1	0	355.482	1.680	20	30		FDEDRO
CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CCC[N@H+](Cc2ccccc2C#N)CC1	ZINC000948778839	1002669382	/nfs/dbraw/zinc/66/93/82/1002669382.db2.gz	GNFIRRYVLQCGPG-KSZLIROESA-N	1	0	354.454	1.493	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC(C)(C)OC2(C)C)CC1	ZINC000930007219	1002729969	/nfs/dbraw/zinc/72/99/69/1002729969.db2.gz	LVINYZMXASBGKR-CQSZACIVSA-N	1	0	351.491	1.463	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](C3CCOCC3)C2)CC1	ZINC000930006917	1002730253	/nfs/dbraw/zinc/73/02/53/1002730253.db2.gz	IKEILOPBWWSEDL-QGZVFWFLSA-N	1	0	363.502	1.418	20	30		FDEDRO
COc1ccc(C(=O)N2CCCC2)cc1NC(=O)NCC#CC[NH+](C)C	ZINC000930011326	1002735073	/nfs/dbraw/zinc/73/50/73/1002735073.db2.gz	STBWFBMWDZEJGB-UHFFFAOYSA-N	1	0	358.442	1.618	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H]1CSc2ccccc21)C1CC[NH+](C)CC1	ZINC000930154848	1002887526	/nfs/dbraw/zinc/88/75/26/1002887526.db2.gz	MGLIGUOFDAAOCV-INIZCTEOSA-N	1	0	357.479	1.506	20	30		FDEDRO
CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1	ZINC000948986409	1002907740	/nfs/dbraw/zinc/90/77/40/1002907740.db2.gz	WNFICPQVPAFTEZ-OLMNPRSZSA-N	1	0	371.485	1.726	20	30		FDEDRO
C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C)cn1	ZINC000948994299	1002912594	/nfs/dbraw/zinc/91/25/94/1002912594.db2.gz	BPZIOCILTFKJBC-DNVCBOLYSA-N	1	0	368.481	1.372	20	30		FDEDRO
CN(C)c1ccc([C@@H](CNC(=O)Nc2nn(C)cc2C#N)[NH+](C)C)cc1	ZINC000930267346	1002984915	/nfs/dbraw/zinc/98/49/15/1002984915.db2.gz	SEVUIGDREXHYDH-MRXNPFEDSA-N	1	0	355.446	1.782	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1	ZINC000949183061	1003065874	/nfs/dbraw/zinc/06/58/74/1003065874.db2.gz	DIAJORLDODRJQQ-SQNIBIBYSA-N	1	0	365.518	1.663	20	30		FDEDRO
C=C(C)CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)CCO2	ZINC000949191081	1003077688	/nfs/dbraw/zinc/07/76/88/1003077688.db2.gz	BIBBELKQWAXKKX-SJORKVTESA-N	1	0	363.502	1.548	20	30		FDEDRO
C=CCOc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C)cc1	ZINC000949197028	1003084719	/nfs/dbraw/zinc/08/47/19/1003084719.db2.gz	DMLHPWRXAIWPLH-SZVBFZGTSA-N	1	0	371.481	1.780	20	30		FDEDRO
C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CCO2	ZINC000949200414	1003088237	/nfs/dbraw/zinc/08/82/37/1003088237.db2.gz	VJPDKMWLKGHNSA-ZWKOTPCHSA-N	1	0	356.470	1.240	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC000949291160	1003191902	/nfs/dbraw/zinc/19/19/02/1003191902.db2.gz	NPAVCEJUFBMBRJ-RHSMWYFYSA-N	1	0	371.485	1.728	20	30		FDEDRO
Cc1ccc([C@H](C)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)cc1	ZINC001111288905	1003341949	/nfs/dbraw/zinc/34/19/49/1003341949.db2.gz	YBOVUJHRTWLGPR-HPBDAGMYSA-N	1	0	354.454	1.460	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1	ZINC000930645884	1003356691	/nfs/dbraw/zinc/35/66/91/1003356691.db2.gz	HJEVMWDHJDFXIA-QLFBSQMISA-N	1	0	360.520	1.311	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1	ZINC000949470163	1003369571	/nfs/dbraw/zinc/36/95/71/1003369571.db2.gz	GBIQFWJEGFFOJI-TWMKSMIVSA-N	1	0	361.486	1.027	20	30		FDEDRO
CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1	ZINC000949878196	1003769716	/nfs/dbraw/zinc/76/97/16/1003769716.db2.gz	PYBDUKROXJVIMU-XYPHTWIQSA-N	1	0	357.458	1.337	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)N[C@H](C)CCC)c1	ZINC001111001674	1003783094	/nfs/dbraw/zinc/78/30/94/1003783094.db2.gz	JFRQIHDYFSOZDV-AXUOBQJMSA-N	1	0	368.481	1.703	20	30		FDEDRO
C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@H](C)C(=O)N(C)C(C)C)c1	ZINC001111001960	1003791236	/nfs/dbraw/zinc/79/12/36/1003791236.db2.gz	PJUANPXVSMRWKR-AXUOBQJMSA-N	1	0	368.481	1.653	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H](c1ccccn1)C1CCC1)C1CC[NH+](C)CC1	ZINC000931065650	1003840630	/nfs/dbraw/zinc/84/06/30/1003840630.db2.gz	KVTGASKWIWSXTR-LJQANCHMSA-N	1	0	368.481	1.595	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@H]1CCc2cc(Cl)ccc21)C1CC[NH+](C)CC1	ZINC000931074721	1003851090	/nfs/dbraw/zinc/85/10/90/1003851090.db2.gz	BBDNDUAVZKGQIA-SFHVURJKSA-N	1	0	373.884	2.000	20	30		FDEDRO
C#CCN(C(=O)C(=O)N[C@@H]1CCO[C@H]1c1ccccc1)C1CC[NH+](C)CC1	ZINC000931096195	1003879255	/nfs/dbraw/zinc/87/92/55/1003879255.db2.gz	YVPAMKHVHCXTOJ-MOPGFXCFSA-N	1	0	369.465	1.189	20	30		FDEDRO
N#Cc1ncn(CC[NH2+]Cc2cc3ccccc3nc2N2CCOCC2)n1	ZINC000796496469	1016831784	/nfs/dbraw/zinc/83/17/84/1016831784.db2.gz	AOKDFKBFLMMJDC-UHFFFAOYSA-N	1	0	363.425	1.324	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)NCC2(Nc3ncccc3C#N)CCOCC2)CC[N@@H+]1C	ZINC001111005840	1003938815	/nfs/dbraw/zinc/93/88/15/1003938815.db2.gz	QVHAVUAXWFYOSQ-GDBMZVCRSA-N	1	0	357.458	1.371	20	30		FDEDRO
COc1c(C)[nH]cc(C[N@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)c1=O	ZINC000931319630	1004051911	/nfs/dbraw/zinc/05/19/11/1004051911.db2.gz	GZQSZEWPRKLJGE-MRXNPFEDSA-N	1	0	357.410	1.435	20	30		FDEDRO
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc(-n3cccn3)c1)C2	ZINC001111011498	1004148199	/nfs/dbraw/zinc/14/81/99/1004148199.db2.gz	XEPOPNRHGYZRGB-KURKYZTESA-N	1	0	365.437	1.252	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3cc(C#N)ccc3F)CC[C@H]21	ZINC000931595296	1004299813	/nfs/dbraw/zinc/29/98/13/1004299813.db2.gz	GSEXUSWOZMKUQU-WMLDXEAASA-N	1	0	358.417	1.256	20	30		FDEDRO
C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3c(C)ncc3C1)C2	ZINC001111022120	1004711170	/nfs/dbraw/zinc/71/11/70/1004711170.db2.gz	KMIKZUOYJGEWGS-RWQQGDIJSA-N	1	0	358.486	1.678	20	30		FDEDRO
C[C@]1([C@H]2CCC[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)COC(=O)N1	ZINC000932025084	1004715444	/nfs/dbraw/zinc/71/54/44/1004715444.db2.gz	WOXXMEVIOMNCCI-RIFZZMRRSA-N	1	0	368.437	1.874	20	30		FDEDRO
C[C@]1([C@H]2CCC[N@H+](C[C@H](O)CC3(C#N)CCOCC3)C2)COC(=O)N1	ZINC000932024637	1004715492	/nfs/dbraw/zinc/71/54/92/1004715492.db2.gz	SZVDJJJHIVUKAU-ZMSDIMECSA-N	1	0	351.447	1.268	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]([C@@]2(C)COC(=O)N2)C1	ZINC000932028851	1004717169	/nfs/dbraw/zinc/71/71/69/1004717169.db2.gz	JGMWSHRWKTUXSL-LTCOOKNTSA-N	1	0	350.463	1.640	20	30		FDEDRO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H]([C@@]2(C)COC(=O)N2)C1	ZINC000932029678	1004718598	/nfs/dbraw/zinc/71/85/98/1004718598.db2.gz	CFULBGGADZJPCD-IIDMSEBBSA-N	1	0	362.474	1.928	20	30		FDEDRO
C#CC[C@H]1CCCN(C(=O)C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)C1	ZINC000932047577	1004734183	/nfs/dbraw/zinc/73/41/83/1004734183.db2.gz	IFECPNDTRPNEEQ-WMZOPIPTSA-N	1	0	356.470	1.453	20	30		FDEDRO
COc1ccc(NC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1C#N	ZINC000932227667	1004840878	/nfs/dbraw/zinc/84/08/78/1004840878.db2.gz	NWJHSPDMMDWVRN-KRWDZBQOSA-N	1	0	357.458	1.811	20	30		FDEDRO
C[NH+](C)CCOc1cc(CNC(=O)N[C@@H](CC#N)C(F)(F)F)ccn1	ZINC000932909517	1005239466	/nfs/dbraw/zinc/23/94/66/1005239466.db2.gz	GJKSJDPYFOPPKA-LBPRGKRZSA-N	1	0	359.352	1.666	20	30		FDEDRO
N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(CN2CCNC2=O)CC1	ZINC000933580693	1005582647	/nfs/dbraw/zinc/58/26/47/1005582647.db2.gz	JRKOWVCTDRMENL-KRWDZBQOSA-N	1	0	358.442	1.035	20	30		FDEDRO
CC(=O)N1CCC(NC(=O)C[NH+]2CCC(c3ccc(C#N)cc3)CC2)CC1	ZINC000933611071	1005588773	/nfs/dbraw/zinc/58/87/73/1005588773.db2.gz	PKYUXHZIIIPQGN-UHFFFAOYSA-N	1	0	368.481	1.865	20	30		FDEDRO
N#Cc1ccc(C2CC[NH+](CC(=O)NCCCN3CCCC3=O)CC2)cc1	ZINC000933614451	1005589458	/nfs/dbraw/zinc/58/94/58/1005589458.db2.gz	QEWNZACBLGWRKU-UHFFFAOYSA-N	1	0	368.481	1.866	20	30		FDEDRO
C=CCn1cc2ccc(NC(=O)N3CC[N@H+](C)C[C@@H](C(=O)OC)C3)cc2n1	ZINC000933676103	1005605728	/nfs/dbraw/zinc/60/57/28/1005605728.db2.gz	PMUFHHOPHMVBIE-OAHLLOKOSA-N	1	0	371.441	1.791	20	30		FDEDRO
C#CCN(C(=O)C(=O)NCc1nc(C(C)(C)C)co1)C1CC[NH+](C)CC1	ZINC000933729109	1005621850	/nfs/dbraw/zinc/62/18/50/1005621850.db2.gz	QTXPJNVBZIWHSP-UHFFFAOYSA-N	1	0	360.458	1.144	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)c(OC)c1	ZINC000933760387	1005631543	/nfs/dbraw/zinc/63/15/43/1005631543.db2.gz	PIHOVAFVEZXRBC-FVJLSDCUSA-N	1	0	374.481	1.751	20	30		FDEDRO
COc1cc(C#N)ccc1C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000933826922	1005642813	/nfs/dbraw/zinc/64/28/13/1005642813.db2.gz	QSRFLCKROYHLTC-NRFANRHFSA-N	1	0	365.433	1.934	20	30		FDEDRO
COC(=O)[C@H]1C[N@H+](CCO[C@@H](C)C#N)CC12CN(C(=O)OC(C)(C)C)C2	ZINC000934051802	1005680787	/nfs/dbraw/zinc/68/07/87/1005680787.db2.gz	FDKICEQMXQZQOQ-UONOGXRCSA-N	1	0	367.446	1.257	20	30		FDEDRO
N#Cc1ccc(NC(=O)CN2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cc1Cl	ZINC000934258990	1005723278	/nfs/dbraw/zinc/72/32/78/1005723278.db2.gz	CVBZIWBBVBLDBV-DLBZAZTESA-N	1	0	362.861	1.681	20	30		FDEDRO
C=C(C)C[N@@H+](C)CC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O	ZINC000778232424	1005727670	/nfs/dbraw/zinc/72/76/70/1005727670.db2.gz	XDGIUPGVRMICKV-OQLLNIDSSA-N	1	0	374.466	1.742	20	30		FDEDRO
C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)N(C)C	ZINC001111072112	1005731549	/nfs/dbraw/zinc/73/15/49/1005731549.db2.gz	BVALAVAELWTTAP-OAGGEKHMSA-N	1	0	371.547	1.592	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@](C)(CO)c1cccc(Br)c1	ZINC000934499317	1005753622	/nfs/dbraw/zinc/75/36/22/1005753622.db2.gz	QPIRZZHTYWVYMK-OAHLLOKOSA-N	1	0	370.247	1.258	20	30		FDEDRO
CC#CCS(=O)(=O)c1cccc(C(=O)NOC2CC[NH+](C)CC2)c1	ZINC000935842730	1006062428	/nfs/dbraw/zinc/06/24/28/1006062428.db2.gz	ZSDBPROTKDIPTO-UHFFFAOYSA-N	1	0	350.440	1.239	20	30		FDEDRO
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCC1CC1	ZINC001111107386	1006082958	/nfs/dbraw/zinc/08/29/58/1006082958.db2.gz	RXFFLWHYFIVTEV-MKXGPGLRSA-N	1	0	363.502	1.605	20	30		FDEDRO
C[NH+]1CCN(c2ccc(NC(=O)Cc3cccc(OCC#N)c3)cn2)CC1	ZINC000089651101	1006353691	/nfs/dbraw/zinc/35/36/91/1006353691.db2.gz	ZNUKKIUEQLTRDI-UHFFFAOYSA-N	1	0	365.437	1.917	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CCN(c3ccc(C#N)c(C)n3)C2)CC[N@@H+]1C	ZINC001111141575	1006413971	/nfs/dbraw/zinc/41/39/71/1006413971.db2.gz	DKGDWBKFQYMSJV-SQGPQFPESA-N	1	0	371.485	1.049	20	30		FDEDRO
CC(=NNC(=S)NCCC[NH+](C)C)c1cc2c(s1)SCC(=O)N2	ZINC000778542164	1006433039	/nfs/dbraw/zinc/43/30/39/1006433039.db2.gz	PZTMXAOGDROLNV-UHFFFAOYSA-N	1	0	371.557	1.932	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1	ZINC000954392298	1006681512	/nfs/dbraw/zinc/68/15/12/1006681512.db2.gz	MKNNCMWHUVSTOJ-ZWOKBUDYSA-N	1	0	361.486	1.123	20	30		FDEDRO
N#Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C(=O)NCC2CC2)C3)cc1F	ZINC001111195243	1006794485	/nfs/dbraw/zinc/79/44/85/1006794485.db2.gz	WPSGSSZBXIPUTB-NXHRZFHOSA-N	1	0	370.428	1.445	20	30		FDEDRO
CN(CCc1nccs1)CN1CC(=O)N(Cc2ccccc2C#N)C1=O	ZINC000157168170	1006887817	/nfs/dbraw/zinc/88/78/17/1006887817.db2.gz	BBBOOYFCBXOWNE-UHFFFAOYSA-N	1	0	369.450	1.911	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)Cn2cc([C@H]3CCC[NH2+]C3)nn2)c(OC)c1	ZINC000641207485	1007015487	/nfs/dbraw/zinc/01/54/87/1007015487.db2.gz	JQACQHZEKGXDFJ-IRXDYDNUSA-N	1	0	372.469	1.922	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)Cn2cc(C3CC[NH2+]CC3)nn2)c(OC)c1	ZINC000641208803	1007017417	/nfs/dbraw/zinc/01/74/17/1007017417.db2.gz	UEDINWXQXCSBJP-KRWDZBQOSA-N	1	0	372.469	1.922	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1	ZINC000954840140	1007050125	/nfs/dbraw/zinc/05/01/25/1007050125.db2.gz	LRBFNWKWHBNKSG-AYBZRNKSSA-N	1	0	363.502	1.369	20	30		FDEDRO
C=CCNC(=O)c1ccc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)nc1	ZINC000641719463	1007117420	/nfs/dbraw/zinc/11/74/20/1007117420.db2.gz	SLHNEXHUNDYTKI-GOSISDBHSA-N	1	0	373.501	1.206	20	30		FDEDRO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1	ZINC000955339156	1007344606	/nfs/dbraw/zinc/34/46/06/1007344606.db2.gz	VPZPZCDNWTUQQW-IEZWGBDMSA-N	1	0	363.502	1.511	20	30		FDEDRO
C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC000956978220	1007436745	/nfs/dbraw/zinc/43/67/45/1007436745.db2.gz	PQWJXVVZSULTIF-XWIAVFTESA-N	1	0	369.469	1.337	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(Cc2ccc(O[C@H](C)C#N)cc2)CC1	ZINC000093045523	1007510212	/nfs/dbraw/zinc/51/02/12/1007510212.db2.gz	QIICKABGOOIPTH-QGZVFWFLSA-N	1	0	358.486	1.963	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H](C)SC)C[C@H]2C)CC1	ZINC000947664137	1007798819	/nfs/dbraw/zinc/79/88/19/1007798819.db2.gz	OCABUNUAECAKKK-IJEWVQPXSA-N	1	0	351.516	1.046	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1	ZINC000956232498	1007956543	/nfs/dbraw/zinc/95/65/43/1007956543.db2.gz	DBIBLSWHJMMYAO-KSZLIROESA-N	1	0	368.437	1.646	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]2COC[C@@H]21)C(C)C	ZINC000643331139	1008036856	/nfs/dbraw/zinc/03/68/56/1008036856.db2.gz	OEOFFRZRPDMYLT-KURKYZTESA-N	1	0	363.502	1.439	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC000956500948	1008183589	/nfs/dbraw/zinc/18/35/89/1008183589.db2.gz	LYRWFHVTWAWABT-VQHPVUNQSA-N	1	0	363.502	1.415	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C3(C)CC=CC3)C[C@H]2C)CC1	ZINC000958517444	1008556106	/nfs/dbraw/zinc/55/61/06/1008556106.db2.gz	UXUQJRRLAHIIJH-SJLPKXTDSA-N	1	0	357.498	1.651	20	30		FDEDRO
C=CCn1cc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)nn1	ZINC000648857666	1008681314	/nfs/dbraw/zinc/68/13/14/1008681314.db2.gz	KUNMVUPRIGXBIY-QGZVFWFLSA-N	1	0	355.442	1.351	20	30		FDEDRO
C=CCn1cc(CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)nn1	ZINC000646389076	1008723518	/nfs/dbraw/zinc/72/35/18/1008723518.db2.gz	FRBXJSGVRYAGQC-HNNXBMFYSA-N	1	0	364.247	1.717	20	30		FDEDRO
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)c1	ZINC000958714178	1008984637	/nfs/dbraw/zinc/98/46/37/1008984637.db2.gz	AUFSZSZOZNBVHR-DNVCBOLYSA-N	1	0	368.481	1.372	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2C[C@H]2CC(C)C)CC1	ZINC000950431943	1009166219	/nfs/dbraw/zinc/16/62/19/1009166219.db2.gz	KOIQMEWGQDHLFD-GUDVDZBRSA-N	1	0	359.514	1.731	20	30		FDEDRO
C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@H]32)C1	ZINC000959944805	1009176007	/nfs/dbraw/zinc/17/60/07/1009176007.db2.gz	VGCIZCFRSKOALA-TYBJPSJXSA-N	1	0	358.467	1.081	20	30		FDEDRO
CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1	ZINC000646954219	1009332083	/nfs/dbraw/zinc/33/20/83/1009332083.db2.gz	VXFVNXSVCHTXDK-GOSISDBHSA-N	1	0	357.454	1.154	20	30		FDEDRO
C#CCOCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N(CC)C1CC1)C2	ZINC001111746376	1009464058	/nfs/dbraw/zinc/46/40/58/1009464058.db2.gz	STKDUDDVFYEVSD-JXFKEZNVSA-N	1	0	361.486	1.008	20	30		FDEDRO
C#CCOCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C2	ZINC001111746486	1009479348	/nfs/dbraw/zinc/47/93/48/1009479348.db2.gz	XZPIYNUTRDIHKI-DZKIICNBSA-N	1	0	362.392	1.310	20	30		FDEDRO
C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC000950701033	1009533312	/nfs/dbraw/zinc/53/33/12/1009533312.db2.gz	NQVPVFSZVNQHTA-RHSMWYFYSA-N	1	0	369.469	1.339	20	30		FDEDRO
N#Cc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2CC[C@@H](C(N)=O)C2)cc1	ZINC000960129607	1009559276	/nfs/dbraw/zinc/55/92/76/1009559276.db2.gz	CBEHJEZUNQWDHG-QYZOEREBSA-N	1	0	368.481	1.931	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(C(N)=O)c1	ZINC000960139568	1009583672	/nfs/dbraw/zinc/58/36/72/1009583672.db2.gz	OLUUXHORKPSHSY-OTWHNJEPSA-N	1	0	371.481	1.847	20	30		FDEDRO
C=C1CCC(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1	ZINC000958859770	1009604461	/nfs/dbraw/zinc/60/44/61/1009604461.db2.gz	JMURCJWGIKSRGW-BGTYHANMSA-N	1	0	363.502	1.103	20	30		FDEDRO
N#Cc1nccnc1NC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2C2CC2)CC1	ZINC001111323469	1009610596	/nfs/dbraw/zinc/61/05/96/1009610596.db2.gz	DGYXALXAZQGUMY-JKSUJKDBSA-N	1	0	354.458	1.387	20	30		FDEDRO
C[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccc(N2CCOCC2)cc1	ZINC000078730513	1009620782	/nfs/dbraw/zinc/62/07/82/1009620782.db2.gz	KVLLYTRUTFGGPB-UHFFFAOYSA-N	1	0	369.469	1.611	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NCCNC(=O)c2ccc(O)cc2)cc1OC	ZINC000303879052	1009647398	/nfs/dbraw/zinc/64/73/98/1009647398.db2.gz	GKNIDBBMJMVTDY-UHFFFAOYSA-N	1	0	358.398	1.566	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCCC(=O)N2CCCCC2)CC1	ZINC000303885646	1009673225	/nfs/dbraw/zinc/67/32/25/1009673225.db2.gz	JWLNXYFKXPIYJC-UHFFFAOYSA-N	1	0	367.494	1.256	20	30		FDEDRO
C#CCC[NH+]1CCC(NC(=O)[C@H](O)[C@@H](O)c2nc3ccccc3s2)CC1	ZINC000779519286	1009674428	/nfs/dbraw/zinc/67/44/28/1009674428.db2.gz	JTHVKQXXQXVWKD-IAGOWNOFSA-N	1	0	373.478	1.295	20	30		FDEDRO
Cc1cccc(NC(=[NH2+])NCCC(=O)N2CCN(c3ncccn3)CC2)c1	ZINC000303981723	1009791892	/nfs/dbraw/zinc/79/18/92/1009791892.db2.gz	PKDPKVZQPRZOSC-UHFFFAOYSA-N	1	0	367.457	1.251	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C	ZINC000950800699	1009857980	/nfs/dbraw/zinc/85/79/80/1009857980.db2.gz	UARHVLGVWFZWLP-SPUZQDLCSA-N	1	0	363.502	1.273	20	30		FDEDRO
C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC000959656169	1010380428	/nfs/dbraw/zinc/38/04/28/1010380428.db2.gz	QZOVGNYZOSRSGC-CZUORRHYSA-N	1	0	357.458	1.195	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1	ZINC000951084872	1010434527	/nfs/dbraw/zinc/43/45/27/1010434527.db2.gz	RXVHVTSUSRMVME-ZACQAIPSSA-N	1	0	354.410	1.256	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCOc3cccnc3)=[NH+]C[C@@H]2C1	ZINC000304991409	1010687965	/nfs/dbraw/zinc/68/79/65/1010687965.db2.gz	DFZZLUTWKYVYLO-CQSZACIVSA-N	1	0	361.446	1.341	20	30		FDEDRO
C[NH+](C)CCCNC(=S)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000779730854	1010861899	/nfs/dbraw/zinc/86/18/99/1010861899.db2.gz	RIZMIQXMMJGVPP-INIZCTEOSA-N	1	0	359.499	1.469	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNC(=O)c3ccccc3OCC#N)ccn2)CC1	ZINC000194164268	1011138287	/nfs/dbraw/zinc/13/82/87/1011138287.db2.gz	SRPPDRKTJYDONR-UHFFFAOYSA-N	1	0	365.437	1.666	20	30		FDEDRO
C#Cc1cncc(C(=O)NC[C@H]2CCN2C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)c1	ZINC000952014007	1011163588	/nfs/dbraw/zinc/16/35/88/1011163588.db2.gz	CIPGVPABEKDIEB-FGTMMUONSA-N	1	0	354.454	1.124	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2ccn(C)c(=O)c2)C1	ZINC000962413710	1011243453	/nfs/dbraw/zinc/24/34/53/1011243453.db2.gz	BMJUBUDDYXVSJV-AKSNENBUSA-N	1	0	359.470	1.351	20	30		FDEDRO
COc1ccc(C[N@H+](C)C[C@H]2CCCN2C(=O)[C@H]2C[C@H]2C(N)=O)cc1C#N	ZINC000960874863	1011590306	/nfs/dbraw/zinc/59/03/06/1011590306.db2.gz	JFDNEUBZXYWNBS-ZACQAIPSSA-N	1	0	370.453	1.111	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N2CC[C@H]3[C@@H]2CCCN3C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C	ZINC000962876755	1011657358	/nfs/dbraw/zinc/65/73/58/1011657358.db2.gz	MTQZXGHILUNMRS-WCZJQEMASA-N	1	0	369.469	1.432	20	30		FDEDRO
C=C1CCC(C(=O)N2CCO[C@@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@@H]32)CC1	ZINC000960904836	1011659394	/nfs/dbraw/zinc/65/93/94/1011659394.db2.gz	IZVNIBRNAWCYIA-OKZBNKHCSA-N	1	0	361.486	1.123	20	30		FDEDRO
CN1C(=O)CC[C@@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1	ZINC001095859821	1011921157	/nfs/dbraw/zinc/92/11/57/1011921157.db2.gz	AKSUYTAPXWKEHJ-YRXWBPOGSA-N	1	0	366.465	1.791	20	30		FDEDRO
C=CCn1cc(C(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)nn1	ZINC000650542401	1012188554	/nfs/dbraw/zinc/18/85/54/1012188554.db2.gz	FXSBHDLHGMLHJM-RBUKOAKNSA-N	1	0	367.453	1.580	20	30		FDEDRO
C#CCCCCCC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1	ZINC000779918099	1012210319	/nfs/dbraw/zinc/21/03/19/1012210319.db2.gz	REMDUYYFEQRVKH-UHFFFAOYSA-N	1	0	371.485	1.546	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCCc2ccc(CO)cc2)CC1	ZINC000305778192	1012501759	/nfs/dbraw/zinc/50/17/59/1012501759.db2.gz	QJZHANKUALPKIP-UHFFFAOYSA-N	1	0	362.474	1.589	20	30		FDEDRO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(c3nccnc3C#N)CC2)CC[N@@H+]1C	ZINC001066799037	1012533634	/nfs/dbraw/zinc/53/36/34/1012533634.db2.gz	XMPPHPUYKBERMH-YQQAZPJKSA-N	1	0	356.474	1.554	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+][C@@H]1CCN(C)C1=O)C2	ZINC000963816011	1012731666	/nfs/dbraw/zinc/73/16/66/1012731666.db2.gz	OYGNMPZLFKDIPD-DMJMGIBUSA-N	1	0	361.486	1.215	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cn(C(C)C)nc3C)C[C@H]21	ZINC000961814246	1012879771	/nfs/dbraw/zinc/87/97/71/1012879771.db2.gz	LQVZXGZCOMOATH-GFEQUFNTSA-N	1	0	358.486	1.910	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOc3ccccc3F)C[C@H]21	ZINC000961839654	1012921002	/nfs/dbraw/zinc/92/10/02/1012921002.db2.gz	ZCOGKPYGPOXYGE-JBFGMIDGSA-N	1	0	360.429	1.842	20	30		FDEDRO
C[C@@H]1[C@H](C(=O)N[C@H]2CC23CCN(C(=O)c2c[nH]c(C#N)c2)CC3)CC[N@@H+]1C	ZINC000963924766	1012966955	/nfs/dbraw/zinc/96/69/55/1012966955.db2.gz	LFSXVFRZLMIGPB-XYPHTWIQSA-N	1	0	369.469	1.337	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CNc3ccccc3C2)CC1	ZINC000652692313	1017580080	/nfs/dbraw/zinc/58/00/80/1017580080.db2.gz	PZGOBZHSVIQHBT-QGZVFWFLSA-N	1	0	356.470	1.296	20	30		FDEDRO
C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)N3CCC(F)(C#N)CC3)cccc21	ZINC000506577151	538898917	/nfs/dbraw/zinc/89/89/17/538898917.db2.gz	GGHFHEZUIPIKJJ-OAHLLOKOSA-N	1	0	374.416	1.865	20	30		FDEDRO
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000506621554	538901695	/nfs/dbraw/zinc/90/16/95/538901695.db2.gz	SMHCSIOHZCBNSP-KXBFYZLASA-N	1	0	365.474	1.429	20	30		FDEDRO
C=CCn1c([C@@H](C)OCCOC)nnc1N1CC[NH+](CC(C)C)CC1	ZINC000508470723	538933117	/nfs/dbraw/zinc/93/31/17/538933117.db2.gz	DFYLLTRBPYCZEP-MRXNPFEDSA-N	1	0	351.495	1.966	20	30		FDEDRO
COCC[N@H+](C)CCCC1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1	ZINC000509203304	538944877	/nfs/dbraw/zinc/94/48/77/538944877.db2.gz	PAVYWZWXMHXMOK-MRXNPFEDSA-N	1	0	374.551	1.536	20	30		FDEDRO
N#Cc1cccc(CNC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1	ZINC000245854627	178384242	/nfs/dbraw/zinc/38/42/42/178384242.db2.gz	JUNRXTAYDJJNGB-PMACEKPBSA-N	1	0	364.449	1.993	20	30		FDEDRO
N#Cc1ccccc1N1CCC[N@@H+](C[C@@H](O)COC2CCOCC2)CC1	ZINC000245854910	178384612	/nfs/dbraw/zinc/38/46/12/178384612.db2.gz	FKDUPMGTNYHGHX-GOSISDBHSA-N	1	0	359.470	1.627	20	30		FDEDRO
C[C@@H]1C[C@@H](CCNS(=O)(=O)N(C)CCC#N)C[N@@H+]1Cc1ccccc1	ZINC000513078424	538985124	/nfs/dbraw/zinc/98/51/24/538985124.db2.gz	ZXMKOEASSPAFDL-SJLPKXTDSA-N	1	0	364.515	1.967	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)CC1	ZINC000518534789	539430085	/nfs/dbraw/zinc/43/00/85/539430085.db2.gz	UBMSQAGHPPJJGD-UHFFFAOYSA-N	1	0	353.426	1.762	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@@H+](CCC(=O)OC(C)(C)C)C1CCOCC1	ZINC000521997768	539528166	/nfs/dbraw/zinc/52/81/66/539528166.db2.gz	UUYIENBXCXIQDQ-UHFFFAOYSA-N	1	0	369.462	1.211	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C	ZINC000264224164	179054650	/nfs/dbraw/zinc/05/46/50/179054650.db2.gz	JUAGULOCUBWURX-INIZCTEOSA-N	1	0	373.457	1.631	20	30		FDEDRO
COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)CN1CC[NH+](C)CC1	ZINC000264498764	179123336	/nfs/dbraw/zinc/12/33/36/179123336.db2.gz	ZOOMTOFJEDNKSF-INIZCTEOSA-N	1	0	374.485	1.478	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1	ZINC000264509164	179125430	/nfs/dbraw/zinc/12/54/30/179125430.db2.gz	SNTLDRNEYCUGKY-INIZCTEOSA-N	1	0	370.453	1.982	20	30		FDEDRO
N#Cc1cccc(NC(=O)C2CC[NH+](C[C@H](O)Cn3cccn3)CC2)c1	ZINC000264483894	179120256	/nfs/dbraw/zinc/12/02/56/179120256.db2.gz	VEBOLERIAOJTNG-SFHVURJKSA-N	1	0	353.426	1.466	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[NH+](C2CCC2)CC1	ZINC000264887855	179231150	/nfs/dbraw/zinc/23/11/50/179231150.db2.gz	DQKKTAGYVAUDKH-UHFFFAOYSA-N	1	0	366.469	1.847	20	30		FDEDRO
CCc1nnc(N2CCC(C[NH+]3CCN(C)CC3)CC2)c(C#N)c1CC	ZINC000268193920	180021526	/nfs/dbraw/zinc/02/15/26/180021526.db2.gz	WYPXTQSWGYTGRW-UHFFFAOYSA-N	1	0	356.518	1.937	20	30		FDEDRO
COC(=O)[C@@H](C)CS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000268271083	180040765	/nfs/dbraw/zinc/04/07/65/180040765.db2.gz	JUFNDPGNCXFQLR-AWEZNQCLSA-N	1	0	367.471	1.061	20	30		FDEDRO
CN(C)C(=O)CC[NH+]1CCN(c2nc(C(F)(F)F)ccc2C#N)CC1	ZINC000268365793	180063553	/nfs/dbraw/zinc/06/35/53/180063553.db2.gz	DWDUAAWKTHLTEX-UHFFFAOYSA-N	1	0	355.364	1.572	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)cc1	ZINC000528790342	539786796	/nfs/dbraw/zinc/78/67/96/539786796.db2.gz	WDWOUXSOLMNWLB-QAPCUYQASA-N	1	0	354.410	1.825	20	30		FDEDRO
Cn1nccc1N1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)C1	ZINC000530234631	539916696	/nfs/dbraw/zinc/91/66/96/539916696.db2.gz	SBGGMIJJSLZHSP-IAGOWNOFSA-N	1	0	355.442	1.290	20	30		FDEDRO
Cn1cc(N2CCC[C@@H]([NH2+]C[C@@H](O)COc3ccccc3C#N)C2)cn1	ZINC000530230201	539914847	/nfs/dbraw/zinc/91/48/47/539914847.db2.gz	FLACLJSQZVOFDB-SJLPKXTDSA-N	1	0	355.442	1.290	20	30		FDEDRO
COC1CC[NH+](C(C)(C)CNC(=O)C(=O)Nc2cc(C#N)ccc2C)CC1	ZINC000530604055	540009139	/nfs/dbraw/zinc/00/91/39/540009139.db2.gz	YAFLQNCHVDNRIE-UHFFFAOYSA-N	1	0	372.469	1.811	20	30		FDEDRO
Cn1cnc(CCNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000530786772	540042998	/nfs/dbraw/zinc/04/29/98/540042998.db2.gz	FJJGDXCMAQEKED-UHFFFAOYSA-N	1	0	367.457	1.147	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C(=O)OC)cs2)CC1	ZINC000532720752	540185794	/nfs/dbraw/zinc/18/57/94/540185794.db2.gz	DNBKZVUVZLJHPU-UHFFFAOYSA-N	1	0	351.428	1.240	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)n(CCC#N)n1	ZINC000533320428	540231549	/nfs/dbraw/zinc/23/15/49/540231549.db2.gz	SRCNMIHQIUGCPV-INIZCTEOSA-N	1	0	374.489	1.670	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)n(CCC#N)n1	ZINC000533320242	540231636	/nfs/dbraw/zinc/23/16/36/540231636.db2.gz	SDMOZOAELKSDMZ-IJEWVQPXSA-N	1	0	374.489	1.526	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)n(CCC#N)n1	ZINC000533325301	540232803	/nfs/dbraw/zinc/23/28/03/540232803.db2.gz	NGIJCRRGBLRBDI-MRXNPFEDSA-N	1	0	372.473	1.521	20	30		FDEDRO
C[NH+](C)CCOC1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1	ZINC000481053693	538871131	/nfs/dbraw/zinc/87/11/31/538871131.db2.gz	FFCXYYPUEHONBV-UHFFFAOYSA-N	1	0	369.462	1.570	20	30		FDEDRO
CC[N@H+](CC(=O)NCC#N)C1CCN(c2cc(C)nc(C(C)C)n2)CC1	ZINC000533532204	540259806	/nfs/dbraw/zinc/25/98/06/540259806.db2.gz	PLVSQSCYNBEZTN-UHFFFAOYSA-N	1	0	358.490	1.839	20	30		FDEDRO
C=CCCS(=O)(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1	ZINC000268776177	674099099	/nfs/dbraw/zinc/09/90/99/674099099.db2.gz	BLDZCTGUAQTRFS-UHFFFAOYSA-N	1	0	355.479	1.963	20	30		FDEDRO
COC(=O)c1cncc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1	ZINC000534283597	540346223	/nfs/dbraw/zinc/34/62/23/540346223.db2.gz	BBVBDKYIGWGOQO-UHFFFAOYSA-N	1	0	366.421	1.944	20	30		FDEDRO
CC(C)C[C@H](NC(=O)c1ncc(C#N)cc1Cl)C(=O)NCC[NH+](C)C	ZINC000534786679	540412037	/nfs/dbraw/zinc/41/20/37/540412037.db2.gz	FNLCBPYDKFFJFG-AWEZNQCLSA-N	1	0	365.865	1.429	20	30		FDEDRO
CC(C)[C@@H]([NH3+])C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1	ZINC000269036071	674105633	/nfs/dbraw/zinc/10/56/33/674105633.db2.gz	DWHMENKQNSRBEV-ATPAHOSSSA-N	1	0	352.460	1.421	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C	ZINC000275390781	181307068	/nfs/dbraw/zinc/30/70/68/181307068.db2.gz	GIVBRXNQAOUQDG-HNNXBMFYSA-N	1	0	358.442	1.838	20	30		FDEDRO
N#Cc1ccc2ncc(C[NH2+]CCCN3C(=O)NC4(CCCC4)C3=O)n2c1	ZINC000538316322	540840772	/nfs/dbraw/zinc/84/07/72/540840772.db2.gz	YTSYNRNWHFJRTD-UHFFFAOYSA-N	1	0	366.425	1.550	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@]2(C)CCCO)CC1	ZINC000538514444	540864972	/nfs/dbraw/zinc/86/49/72/540864972.db2.gz	DMBHGNDRQJVTLX-HKUYNNGSSA-N	1	0	350.507	1.306	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1	ZINC000539227226	540937507	/nfs/dbraw/zinc/93/75/07/540937507.db2.gz	QAGXZKTYJXGMRK-NSHDSACASA-N	1	0	351.403	1.375	20	30		FDEDRO
C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1cccc(S(N)(=O)=O)c1	ZINC000540469371	541063509	/nfs/dbraw/zinc/06/35/09/541063509.db2.gz	PAGAWIRADKMKOR-CYBMUJFWSA-N	1	0	372.450	1.885	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCC2(C(=O)OC)CCOCC2)CC1	ZINC000541915226	541298816	/nfs/dbraw/zinc/29/88/16/541298816.db2.gz	CXPIUQNJCIWHBB-UHFFFAOYSA-N	1	0	353.463	1.296	20	30		FDEDRO
Cc1onc(CC(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)c1C#N	ZINC000541857126	541282776	/nfs/dbraw/zinc/28/27/76/541282776.db2.gz	LBCDQEGUMQUFKP-UHFFFAOYSA-N	1	0	353.426	1.783	20	30		FDEDRO
CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1	ZINC000269642716	674110986	/nfs/dbraw/zinc/11/09/86/674110986.db2.gz	FDUSDSDCZMGAOT-UYRASVOBSA-N	1	0	366.487	1.811	20	30		FDEDRO
C[C@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1C#N)[N@@H+]1CCCC[C@@H]1C	ZINC000543753735	541653521	/nfs/dbraw/zinc/65/35/21/541653521.db2.gz	JKJAXVCWSJUQGJ-UONOGXRCSA-N	1	0	361.494	1.700	20	30		FDEDRO
C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1CCC(CC#N)CC1	ZINC000543811874	541666363	/nfs/dbraw/zinc/66/63/63/541666363.db2.gz	XHINUBNXSLCVNL-OAHLLOKOSA-N	1	0	358.442	1.578	20	30		FDEDRO
C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)CC1(C#N)CCCC1	ZINC000544725034	541817587	/nfs/dbraw/zinc/81/75/87/541817587.db2.gz	CPPCMMSTSXKUBN-OWCLPIDISA-N	1	0	355.504	1.584	20	30		FDEDRO
C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1	ZINC000544851928	541842725	/nfs/dbraw/zinc/84/27/25/541842725.db2.gz	HXIUOQFJPAXXCZ-WBVHZDCISA-N	1	0	356.474	1.658	20	30		FDEDRO
N#Cc1ccc([C@H](O)C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)cc1	ZINC000282693819	182044134	/nfs/dbraw/zinc/04/41/34/182044134.db2.gz	KLWKMQYYZKWFJM-GOSISDBHSA-N	1	0	363.483	1.482	20	30		FDEDRO
CC(C)CCNC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000283482979	182194898	/nfs/dbraw/zinc/19/48/98/182194898.db2.gz	GFHOGXSJYNYABR-UHFFFAOYSA-N	1	0	356.470	1.755	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000283518310	182204872	/nfs/dbraw/zinc/20/48/72/182204872.db2.gz	IVRRLOUWFWKINS-UHFFFAOYSA-N	1	0	356.470	1.942	20	30		FDEDRO
C[N@H+](CCNC(=O)C(=O)NCc1cccc(C#N)c1)Cc1ccc(F)cc1	ZINC000283946332	182325990	/nfs/dbraw/zinc/32/59/90/182325990.db2.gz	KHHWCWJOYIRFAJ-UHFFFAOYSA-N	1	0	368.412	1.562	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccc(C#N)cc1	ZINC000284069496	182354835	/nfs/dbraw/zinc/35/48/35/182354835.db2.gz	RHIPFBHENLJTJI-QAPCUYQASA-N	1	0	354.454	1.822	20	30		FDEDRO
CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3ccc(C#N)cc3OC)C2)CC1	ZINC000546002757	542072092	/nfs/dbraw/zinc/07/20/92/542072092.db2.gz	CEANCWQHDSDJMO-INIZCTEOSA-N	1	0	357.458	1.811	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1	ZINC000546003585	542072789	/nfs/dbraw/zinc/07/27/89/542072789.db2.gz	UCPLQLZCCSPBMD-AWEZNQCLSA-N	1	0	358.442	1.744	20	30		FDEDRO
C[N@@H+]1CC[C@@](O)(CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1	ZINC000546571000	542167566	/nfs/dbraw/zinc/16/75/66/542167566.db2.gz	RHELJHJWMUBDAP-OAQYLSRUSA-N	1	0	365.433	1.934	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1	ZINC000546711999	542206950	/nfs/dbraw/zinc/20/69/50/542206950.db2.gz	RTTMPRZVZVAANX-UONOGXRCSA-N	1	0	358.442	1.742	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)o1	ZINC000287739833	183370806	/nfs/dbraw/zinc/37/08/06/183370806.db2.gz	HVCCQJJTKSFPDQ-CABCVRRESA-N	1	0	353.444	1.197	20	30		FDEDRO
Cc1nnsc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000291738625	183817105	/nfs/dbraw/zinc/81/71/05/183817105.db2.gz	AKAISKOSWSKREL-UHFFFAOYSA-N	1	0	358.471	1.992	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(C)(C)O)CCN1c1ncc(Br)cc1C#N	ZINC000294894000	184017244	/nfs/dbraw/zinc/01/72/44/184017244.db2.gz	GMYGJXFJJWARJS-LLVKDONJSA-N	1	0	353.264	1.997	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](C(=O)N[C@H]3CCC[N@@H+](CCCO)C3)C2)c(F)c1	ZINC000295459996	184074219	/nfs/dbraw/zinc/07/42/19/184074219.db2.gz	MRRJLTJOLYMWME-SJORKVTESA-N	1	0	374.460	1.487	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H]1CCC[N@@H+](CCCO)C1	ZINC000295510342	184078672	/nfs/dbraw/zinc/07/86/72/184078672.db2.gz	PWKLUJXQWZRHKY-KRWDZBQOSA-N	1	0	372.469	1.630	20	30		FDEDRO
CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000296298439	184150691	/nfs/dbraw/zinc/15/06/91/184150691.db2.gz	ZQUPKRMNMNQGNL-UHFFFAOYSA-N	1	0	370.494	1.342	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)NCc3ccc4c[nH+]cn4c3)CC2)c1	ZINC000297579705	184290248	/nfs/dbraw/zinc/29/02/48/184290248.db2.gz	DIPHIRPRQOOGCK-UHFFFAOYSA-N	1	0	361.409	1.633	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C	ZINC000547318623	542310926	/nfs/dbraw/zinc/31/09/26/542310926.db2.gz	CBIICSJILLBNED-KBPBESRZSA-N	1	0	353.430	2.004	20	30		FDEDRO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCC[NH+]1CCC(C)CC1	ZINC000547318920	542311496	/nfs/dbraw/zinc/31/14/96/542311496.db2.gz	WGLYDBVNPSAJNG-UHFFFAOYSA-N	1	0	367.457	2.301	20	30		FDEDRO
COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C	ZINC000547416964	542335822	/nfs/dbraw/zinc/33/58/22/542335822.db2.gz	FOAZPPQISSVGBK-CQSZACIVSA-N	1	0	372.450	1.986	20	30		FDEDRO
C[C@@H]1CCN(C(=O)c2nnn(C)n2)[C@H](C[NH2+]Cc2cc(F)ccc2C#N)C1	ZINC001087201015	781977755	/nfs/dbraw/zinc/97/77/55/781977755.db2.gz	YNSWAQPQGKUSMR-WBMJQRKESA-N	1	0	371.420	1.251	20	30		FDEDRO
CO[C@H]1C[C@@H](C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)[N@H+](C)C1	ZINC000329038935	781985597	/nfs/dbraw/zinc/98/55/97/781985597.db2.gz	SCYKVZHIEXYPQS-IRXDYDNUSA-N	1	0	366.506	1.139	20	30		FDEDRO
C[C@H]([NH2+]CC(=O)Nc1cc(-n2cnnn2)ccc1F)c1ccc(C#N)cc1	ZINC000548932926	542810275	/nfs/dbraw/zinc/81/02/75/542810275.db2.gz	JEOVCQRDDQSLKA-LBPRGKRZSA-N	1	0	365.372	1.962	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(C#N)cc1	ZINC000550979917	543210303	/nfs/dbraw/zinc/21/03/03/543210303.db2.gz	UDXTUITTYQQYFZ-RHSMWYFYSA-N	1	0	354.454	1.869	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)C[NH+](C)C	ZINC000551040900	543222096	/nfs/dbraw/zinc/22/20/96/543222096.db2.gz	FNYUYOHCNFYYGP-SNVBAGLBSA-N	1	0	367.247	1.573	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NCCO[C@H]2CCCC[C@H]2C)CC1	ZINC000551144093	543240327	/nfs/dbraw/zinc/24/03/27/543240327.db2.gz	UJATVHZAVJYAOF-WBVHZDCISA-N	1	0	351.491	1.465	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCOC[C@@H]1CC)C(C)C	ZINC000551216764	543253457	/nfs/dbraw/zinc/25/34/57/543253457.db2.gz	CPLYHTMPHQMCAA-IRXDYDNUSA-N	1	0	351.491	1.439	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCN(C2CC2)CC1)C(C)C	ZINC000551217319	543253508	/nfs/dbraw/zinc/25/35/08/543253508.db2.gz	LQGQTUIHEZQCBM-SFHVURJKSA-N	1	0	362.518	1.108	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCc2c[nH]nc2C1)C(C)C	ZINC000551220631	543253988	/nfs/dbraw/zinc/25/39/88/543253988.db2.gz	CNDDERPSFVSGBX-AEFFLSMTSA-N	1	0	373.501	1.198	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCO[C@H](CC)C1)C(C)C	ZINC000551222737	543254392	/nfs/dbraw/zinc/25/43/92/543254392.db2.gz	UBGLZNUWHJHLDV-IAGOWNOFSA-N	1	0	351.491	1.439	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)Oc2ccc(C)cc2)CC1	ZINC000551234575	543256492	/nfs/dbraw/zinc/25/64/92/543256492.db2.gz	ZMNNJAPSXDXMNK-INIZCTEOSA-N	1	0	359.470	1.645	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1	ZINC000551692053	543323231	/nfs/dbraw/zinc/32/32/31/543323231.db2.gz	AFSGCXQRWIGXQA-JKIFEVAISA-N	1	0	370.453	1.694	20	30		FDEDRO
C[NH+]1CCN(c2cc(C(=O)NCC(=O)c3ccc(C#N)cc3)ccn2)CC1	ZINC000552663472	543496668	/nfs/dbraw/zinc/49/66/68/543496668.db2.gz	CECZOOMGINMYET-UHFFFAOYSA-N	1	0	363.421	1.318	20	30		FDEDRO
Cc1cc(C#N)cnc1C(=O)NCc1ccncc1OCCC[NH+](C)C	ZINC000570589882	549336890	/nfs/dbraw/zinc/33/68/90/549336890.db2.gz	VEEAXTVSCLJUDG-UHFFFAOYSA-N	1	0	353.426	1.917	20	30		FDEDRO
C=CCNC(=O)CN1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1	ZINC000552991147	543548385	/nfs/dbraw/zinc/54/83/85/543548385.db2.gz	CRODJRSJWTZQTB-UHFFFAOYSA-N	1	0	355.398	1.567	20	30		FDEDRO
C[NH+]1CCC(CCO)(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000553125585	543573776	/nfs/dbraw/zinc/57/37/76/543573776.db2.gz	RMDLTJGRNHAULY-MRXNPFEDSA-N	1	0	374.460	1.487	20	30		FDEDRO
CC(C)[C@H](CNS(=O)(=O)Cc1cccc(C#N)c1)N1CC[NH+](C)CC1	ZINC000173453014	258299686	/nfs/dbraw/zinc/29/96/86/258299686.db2.gz	POVOAIKEHCSTST-SFHVURJKSA-N	1	0	364.515	1.250	20	30		FDEDRO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1	ZINC000073121165	172057692	/nfs/dbraw/zinc/05/76/92/172057692.db2.gz	IVNCSWSKNAGMAC-SFHVURJKSA-N	1	0	356.470	1.705	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[NH+]2CCC(C(=O)N3CCOCC3)CC2)cc1	ZINC000073501386	172063469	/nfs/dbraw/zinc/06/34/69/172063469.db2.gz	KUOVXQOEVFZXHA-UHFFFAOYSA-N	1	0	370.453	1.458	20	30		FDEDRO
CC(C)[C@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)[NH+]1CCCC1	ZINC000091206884	172277384	/nfs/dbraw/zinc/27/73/84/172277384.db2.gz	SVTALBXPBWIHCT-HNNXBMFYSA-N	1	0	374.489	1.685	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000091235725	172279963	/nfs/dbraw/zinc/27/99/63/172279963.db2.gz	YWIHDZRNUJMMPJ-CQSZACIVSA-N	1	0	360.462	1.439	20	30		FDEDRO
C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)CC[C@@H]21	ZINC000091249299	172281947	/nfs/dbraw/zinc/28/19/47/172281947.db2.gz	FOOBCOYZGWWRBA-ZFWWWQNUSA-N	1	0	372.473	1.391	20	30		FDEDRO
C[NH+]1CCC(CCNC(=O)N2CCN(c3ncccc3C#N)CC2)CC1	ZINC000103320284	172364093	/nfs/dbraw/zinc/36/40/93/172364093.db2.gz	NSTOSOQCENRWQN-UHFFFAOYSA-N	1	0	356.474	1.517	20	30		FDEDRO
N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1	ZINC000126097503	173028485	/nfs/dbraw/zinc/02/84/85/173028485.db2.gz	CCLZWYTUIQIAKD-QGZVFWFLSA-N	1	0	368.485	1.802	20	30		FDEDRO
Cc1cc(C#N)ccc1C(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1	ZINC000128771914	173119285	/nfs/dbraw/zinc/11/92/85/173119285.db2.gz	KDAFYOXAHUNMAH-INIZCTEOSA-N	1	0	363.483	1.448	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1	ZINC000175796751	174028423	/nfs/dbraw/zinc/02/84/23/174028423.db2.gz	SXINLDPYEYKEQD-GXTWGEPZSA-N	1	0	356.426	1.637	20	30		FDEDRO
CC[C@@H]1CN([C@@H]2CCN(c3sccc3C#N)C2=O)CC[N@@H+]1CCOC	ZINC000177054916	174103958	/nfs/dbraw/zinc/10/39/58/174103958.db2.gz	UXGSFKXPDOJQDG-HZPDHXFCSA-N	1	0	362.499	1.768	20	30		FDEDRO
COc1cc(CN2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)cc(OC)c1	ZINC000181338545	174218158	/nfs/dbraw/zinc/21/81/58/174218158.db2.gz	KSUMJTNFTOOWCH-HNNXBMFYSA-N	1	0	354.410	1.908	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC([N@H+](C)CCCO)CC1	ZINC000178756627	258334703	/nfs/dbraw/zinc/33/47/03/258334703.db2.gz	NIXWFIVYNZFAEB-UHFFFAOYSA-N	1	0	351.472	1.334	20	30		FDEDRO
C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000272533479	258446059	/nfs/dbraw/zinc/44/60/59/258446059.db2.gz	KIOJVRXDCPXGKE-WMLDXEAASA-N	1	0	357.458	1.693	20	30		FDEDRO
Cc1sc(NC(=O)CN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c(C#N)c1C	ZINC000189942141	258387856	/nfs/dbraw/zinc/38/78/56/258387856.db2.gz	ZCMOAKKQSZLCOI-GFCCVEGCSA-N	1	0	364.515	1.952	20	30		FDEDRO
CN(C)C(=O)N1CCC([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000190631573	258389344	/nfs/dbraw/zinc/38/93/44/258389344.db2.gz	PBRWOKCXKBMSJY-GOSISDBHSA-N	1	0	369.469	1.395	20	30		FDEDRO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[N@@H+]1C1CC1	ZINC000193134224	258392989	/nfs/dbraw/zinc/39/29/89/258392989.db2.gz	MUGYPMHCIRPKLR-TZMCWYRMSA-N	1	0	357.458	1.795	20	30		FDEDRO
N#Cc1nccnc1N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1	ZINC000263713457	258408432	/nfs/dbraw/zinc/40/84/32/258408432.db2.gz	ASWSOWCTFACNFA-UHFFFAOYSA-N	1	0	356.474	1.557	20	30		FDEDRO
C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1	ZINC000279432786	258555889	/nfs/dbraw/zinc/55/58/89/258555889.db2.gz	QPLUTEPSEMNLRC-UHFFFAOYSA-N	1	0	359.474	1.901	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2c2cccnc2)CC1	ZINC000553373547	543621759	/nfs/dbraw/zinc/62/17/59/543621759.db2.gz	GMPLJWVRNMQHFE-SFHVURJKSA-N	1	0	356.470	1.902	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@]2(CCC)COC)CC1	ZINC000553396791	543626823	/nfs/dbraw/zinc/62/68/23/543626823.db2.gz	FQOVXORDVUXCBW-FQEVSTJZSA-N	1	0	365.518	1.951	20	30		FDEDRO
C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)C[C@@H](C)C1	ZINC000553767284	543693539	/nfs/dbraw/zinc/69/35/39/543693539.db2.gz	BXSGFXPKNJEKRX-RLFYNMQTSA-N	1	0	354.454	1.477	20	30		FDEDRO
Cc1cc(C#N)nc(N(C)CCN2CC[NH+](Cc3ccccc3)CC2)n1	ZINC000553601379	543667242	/nfs/dbraw/zinc/66/72/42/543667242.db2.gz	KKZUXRTUNCJSPD-UHFFFAOYSA-N	1	0	350.470	1.911	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1	ZINC000553886412	543710756	/nfs/dbraw/zinc/71/07/56/543710756.db2.gz	JWQCGGRRWULFNV-BBRMVZONSA-N	1	0	356.467	1.744	20	30		FDEDRO
C[C@@H]1CN(C[C@H](O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)C[C@H](C)O1	ZINC000554566052	543825500	/nfs/dbraw/zinc/82/55/00/543825500.db2.gz	IUYTZIKAPHSTGW-FGTMMUONSA-N	1	0	358.486	1.409	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1	ZINC000555644297	543994686	/nfs/dbraw/zinc/99/46/86/543994686.db2.gz	CJEJVQUEXRFFAF-JKSUJKDBSA-N	1	0	351.491	1.465	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC1([NH+](C)C)CCCCC1	ZINC000555648864	543996279	/nfs/dbraw/zinc/99/62/79/543996279.db2.gz	ZMXXZJQTUPRMAI-UHFFFAOYSA-N	1	0	356.470	1.897	20	30		FDEDRO
C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N	ZINC000556026190	544077349	/nfs/dbraw/zinc/07/73/49/544077349.db2.gz	SGRBLMGLMKQYSB-KRWDZBQOSA-N	1	0	366.487	1.285	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1	ZINC000556489796	544148901	/nfs/dbraw/zinc/14/89/01/544148901.db2.gz	KKVBEMJAIMKLLY-PMUMKWKESA-N	1	0	354.454	1.994	20	30		FDEDRO
N#Cc1cnc2ccccc2c1N1CCN(C(=O)N[C@H](C[NH3+])C2CC2)CC1	ZINC000557213823	544263387	/nfs/dbraw/zinc/26/33/87/544263387.db2.gz	URNNQHYNSBWQSF-GOSISDBHSA-N	1	0	364.453	1.675	20	30		FDEDRO
C=CCOc1cccnc1C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1	ZINC000557472308	544295470	/nfs/dbraw/zinc/29/54/70/544295470.db2.gz	KDIUPGONGOETHP-UHFFFAOYSA-N	1	0	358.486	1.746	20	30		FDEDRO
N#Cc1ccncc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1	ZINC000557745870	544340575	/nfs/dbraw/zinc/34/05/75/544340575.db2.gz	KFIVQJAQCNAALL-GOSISDBHSA-N	1	0	369.469	1.245	20	30		FDEDRO
C=CCCC[C@H](C)NC(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1	ZINC000557890677	544359866	/nfs/dbraw/zinc/35/98/66/544359866.db2.gz	JJJYFCMHEXRAJF-HNNXBMFYSA-N	1	0	353.507	1.853	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000559070418	544584751	/nfs/dbraw/zinc/58/47/51/544584751.db2.gz	NBQCEKBAPMUIBG-DLBZAZTESA-N	1	0	357.458	1.990	20	30		FDEDRO
Cc1ccc(C(=O)NCC[NH2+]Cc2cnc3c(C#N)cnn3c2)cc1F	ZINC000559871400	544829045	/nfs/dbraw/zinc/82/90/45/544829045.db2.gz	RIKMKOOHMFNQNA-UHFFFAOYSA-N	1	0	352.373	1.568	20	30		FDEDRO
N#Cc1cc(C(=O)NCCCC[NH+]2CCOCC2)cnc1C(F)(F)F	ZINC000293503071	258880757	/nfs/dbraw/zinc/88/07/57/258880757.db2.gz	NSUKHSMLEVDOSV-UHFFFAOYSA-N	1	0	356.348	1.814	20	30		FDEDRO
C[C@@H]1C[N@@H+](CCCNc2ccc(S(N)(=O)=O)cc2C#N)C[C@H](C)O1	ZINC000301173978	259022495	/nfs/dbraw/zinc/02/24/95/259022495.db2.gz	HHPPPVZZLTYVMQ-BETUJISGSA-N	1	0	352.460	1.117	20	30		FDEDRO
C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2ncc(C#N)cc2Cl)CC1	ZINC000330641701	259155396	/nfs/dbraw/zinc/15/53/96/259155396.db2.gz	QSSUOGFCFVFTRV-LBPRGKRZSA-N	1	0	350.850	1.771	20	30		FDEDRO
C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1nnc(-c2cccc(C#N)c2)o1	ZINC000331296714	259186196	/nfs/dbraw/zinc/18/61/96/259186196.db2.gz	OCODLMROVRJEPM-AWEZNQCLSA-N	1	0	355.442	1.885	20	30		FDEDRO
C[C@@H]1CN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@@H](C)C[N@@H+]1C	ZINC000331542660	259202726	/nfs/dbraw/zinc/20/27/26/259202726.db2.gz	GTFFTEBMBYHHEZ-CABCVRRESA-N	1	0	352.442	1.707	20	30		FDEDRO
C[C@@H]1CN(C(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C[C@@H](C)[NH2+]1	ZINC000332529478	259274049	/nfs/dbraw/zinc/27/40/49/259274049.db2.gz	GOZROZXUQHQAAI-HUUCEWRRSA-N	1	0	352.438	1.383	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1	ZINC000332630356	259283983	/nfs/dbraw/zinc/28/39/83/259283983.db2.gz	WHCKSSWURFXRMR-GOSISDBHSA-N	1	0	368.485	1.949	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)C2=O)cc1	ZINC000333490062	259353283	/nfs/dbraw/zinc/35/32/83/259353283.db2.gz	CHVNQAXFWWCWRT-JZXOWHBKSA-N	1	0	367.453	1.305	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)C2=O)cc1	ZINC000333500671	259354644	/nfs/dbraw/zinc/35/46/44/259354644.db2.gz	DIKIYGJNHIKQGL-HPBDAGMYSA-N	1	0	367.453	1.432	20	30		FDEDRO
Cc1ccc(C#N)cc1S(=O)(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1	ZINC000333655829	259367306	/nfs/dbraw/zinc/36/73/06/259367306.db2.gz	KPSNALCHMDXWQT-SJORKVTESA-N	1	0	363.483	1.774	20	30		FDEDRO
N#Cc1cccc(CS(=O)(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1	ZINC000333724654	259374191	/nfs/dbraw/zinc/37/41/91/259374191.db2.gz	VFJSCGHBJGFBIY-SJORKVTESA-N	1	0	361.467	1.088	20	30		FDEDRO
N#Cc1ccc(OC2CCC(NC(=O)N3CCOC4(C[NH2+]C4)C3)CC2)nc1	ZINC000333789101	259382437	/nfs/dbraw/zinc/38/24/37/259382437.db2.gz	MFOYNJWSPLGZCD-UHFFFAOYSA-N	1	0	371.441	1.027	20	30		FDEDRO
N#Cc1ccnc(N2CCN(C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)c1	ZINC000333909672	259392738	/nfs/dbraw/zinc/39/27/38/259392738.db2.gz	KYCQJMNDRASTOG-IXDOHACOSA-N	1	0	354.458	1.173	20	30		FDEDRO
C[C@@H](CNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)C[NH+]1CCCC1	ZINC000363458356	259598947	/nfs/dbraw/zinc/59/89/47/259598947.db2.gz	UOABXYMJLCRJRD-INIZCTEOSA-N	1	0	370.501	1.953	20	30		FDEDRO
N#Cc1cccc(CCNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1	ZINC000366992083	259984900	/nfs/dbraw/zinc/98/49/00/259984900.db2.gz	WNFHUJVDVAGRRC-LJQANCHMSA-N	1	0	356.470	1.855	20	30		FDEDRO
N#Cc1ncn(CCNC(=O)NC2CC[NH+](Cc3cccs3)CC2)n1	ZINC000367890960	260106011	/nfs/dbraw/zinc/10/60/11/260106011.db2.gz	IJCDSACFPGEMOU-UHFFFAOYSA-N	1	0	359.459	1.175	20	30		FDEDRO
Cc1ncccc1O[C@H]1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000367989789	260120252	/nfs/dbraw/zinc/12/02/52/260120252.db2.gz	RWTVAAVNGIAVJE-INIZCTEOSA-N	1	0	372.450	1.584	20	30		FDEDRO
CCN1CCO[C@H](CN2CCN(c3nc4ccccn4c3C#N)CC2)C1	ZINC000368057586	260129442	/nfs/dbraw/zinc/12/94/42/260129442.db2.gz	JPKZHSRIDJNZFA-INIZCTEOSA-N	1	0	354.458	1.049	20	30		FDEDRO
C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCCN(c2ccc(C#N)cc2)CC1	ZINC000368795515	260238200	/nfs/dbraw/zinc/23/82/00/260238200.db2.gz	PIHPMRULYFIKRS-APWZRJJASA-N	1	0	356.470	1.754	20	30		FDEDRO
COC(=O)c1cn([C@H]2CCC[N@H+](CCOc3ccc(C#N)cc3)C2)nn1	ZINC000368863395	260251162	/nfs/dbraw/zinc/25/11/62/260251162.db2.gz	QWVTZVXYKBEKHF-HNNXBMFYSA-N	1	0	355.398	1.652	20	30		FDEDRO
C[N@H+](CCOc1ccc(C#N)cc1)C1CCN(CC(=O)N2CCCC2)CC1	ZINC000369066954	260289961	/nfs/dbraw/zinc/28/99/61/260289961.db2.gz	SOBYMWPZTDJRIV-UHFFFAOYSA-N	1	0	370.497	1.956	20	30		FDEDRO
N#Cc1cccc(CNC(=O)CN2CCC[N@@H+](C3CCOCC3)CC2)c1	ZINC000369546612	260387389	/nfs/dbraw/zinc/38/73/89/260387389.db2.gz	CAJLALXKXWWDIW-UHFFFAOYSA-N	1	0	356.470	1.361	20	30		FDEDRO
C[C@@H](C(=O)NCCc1ccc(F)cc1)[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000373397355	261007557	/nfs/dbraw/zinc/00/75/57/261007557.db2.gz	AGSGLNBSTPODRS-AWEZNQCLSA-N	1	0	370.432	1.673	20	30		FDEDRO
CCOc1ccc(OC[C@H](O)C[NH+]2CCC(n3cnc(C#N)n3)CC2)cc1	ZINC000373403976	261007950	/nfs/dbraw/zinc/00/79/50/261007950.db2.gz	PXKVEYDCRXSPGM-MRXNPFEDSA-N	1	0	371.441	1.625	20	30		FDEDRO
N#Cc1ncn(C2CC[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)n1	ZINC000373404755	261007954	/nfs/dbraw/zinc/00/79/54/261007954.db2.gz	RWBGENLNHNDCJZ-UHFFFAOYSA-N	1	0	369.385	1.724	20	30		FDEDRO
N#Cc1ncn(C2CCN([C@@H]3CCN(c4ccccc4F)C3=O)CC2)n1	ZINC000373405308	261008191	/nfs/dbraw/zinc/00/81/91/261008191.db2.gz	NTMLKIBWOZFKKS-MRXNPFEDSA-N	1	0	354.389	1.731	20	30		FDEDRO
COC(=O)CCn1nc(C)c(C[NH+]2CCC(n3cnc(C#N)n3)CC2)c1C	ZINC000373486873	261014415	/nfs/dbraw/zinc/01/44/15/261014415.db2.gz	ARYLSURYHWMZFZ-UHFFFAOYSA-N	1	0	371.445	1.363	20	30		FDEDRO
CCOC(=O)C[C@@H]1C[C@@H](OC)CN1CC(=O)NCc1cccc(C#N)c1	ZINC000373584124	261022544	/nfs/dbraw/zinc/02/25/44/261022544.db2.gz	KOPXXXPSTODSQX-DLBZAZTESA-N	1	0	359.426	1.217	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1	ZINC000373929385	261053655	/nfs/dbraw/zinc/05/36/55/261053655.db2.gz	OKGAPUTXZGQFOT-IRXDYDNUSA-N	1	0	366.469	1.893	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCc1cccc(C#N)c1	ZINC000374196038	261092315	/nfs/dbraw/zinc/09/23/15/261092315.db2.gz	WWCXQCMRIYWTNG-INIZCTEOSA-N	1	0	356.470	1.995	20	30		FDEDRO
CN1CCN(C2CC[NH+](CCCOc3ccc(C#N)cc3)CC2)C(=O)C1	ZINC000374769990	261192170	/nfs/dbraw/zinc/19/21/70/261192170.db2.gz	YSMXWAXKTFNPQV-UHFFFAOYSA-N	1	0	356.470	1.566	20	30		FDEDRO
CN1CCC([NH+]2CCC(NC(=O)NCCc3cccc(C#N)c3)CC2)CC1	ZINC000375645464	261389638	/nfs/dbraw/zinc/38/96/38/261389638.db2.gz	SPANWXXPFBFISI-UHFFFAOYSA-N	1	0	369.513	1.959	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ncc(C#N)cc2Cl)CC1	ZINC000408395014	262103528	/nfs/dbraw/zinc/10/35/28/262103528.db2.gz	LWXIZYNKJLRARI-HNNXBMFYSA-N	1	0	361.877	1.849	20	30		FDEDRO
C[NH+](C)CCCN(C(=O)c1ccc(CC#N)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000270406845	674206314	/nfs/dbraw/zinc/20/63/14/674206314.db2.gz	WQLHMPOPEOCAQW-KRWDZBQOSA-N	1	0	363.483	1.334	20	30		FDEDRO
C[C@@H]1CCN(C(=O)[C@H]2CCN(C)C2=O)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1	ZINC001087202267	782050165	/nfs/dbraw/zinc/05/01/65/782050165.db2.gz	XZXFBSVCWUVDON-MNEFBYGVSA-N	1	0	368.481	1.753	20	30		FDEDRO
C[NH+](C)CCOc1cnccc1CNC(=O)CNc1ccc(C#N)cn1	ZINC000494776162	489912698	/nfs/dbraw/zinc/91/26/98/489912698.db2.gz	YOFDVFBSPCMOKZ-UHFFFAOYSA-N	1	0	354.414	1.017	20	30		FDEDRO
CC[NH+]1CCN(CC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1	ZINC000512110663	490659867	/nfs/dbraw/zinc/65/98/67/490659867.db2.gz	WJTNRLZQEBSUAS-UHFFFAOYSA-N	1	0	356.405	1.459	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)N2CCC(C)([NH+]3CCCC3)CC2)nn1CCC#N	ZINC000602057326	491958753	/nfs/dbraw/zinc/95/87/53/491958753.db2.gz	IBPMMIXMFZPGLQ-UHFFFAOYSA-N	1	0	372.473	1.521	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](C)[NH+](CC)CC)cc1	ZINC000031825188	519467584	/nfs/dbraw/zinc/46/75/84/519467584.db2.gz	OZXPYYVZAPMVCW-CQSZACIVSA-N	1	0	351.472	1.058	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(C(N)=O)c1	ZINC000056015998	521763199	/nfs/dbraw/zinc/76/31/99/521763199.db2.gz	ZXIVESOVRVQDKB-UHFFFAOYSA-N	1	0	350.422	1.861	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCn1ccnc1	ZINC000042897377	521797694	/nfs/dbraw/zinc/79/76/94/521797694.db2.gz	QOHDSBZYLVGTKQ-UHFFFAOYSA-N	1	0	354.458	1.918	20	30		FDEDRO
Cn1c(NCC2CC[NH+](Cc3cccs3)CC2)c(C#N)c(=O)n(C)c1=O	ZINC000057854788	522170689	/nfs/dbraw/zinc/17/06/89/522170689.db2.gz	OVVPETQAKYWIJH-UHFFFAOYSA-N	1	0	373.482	1.341	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1	ZINC000058299800	522244728	/nfs/dbraw/zinc/24/47/28/522244728.db2.gz	CTWXNNHPDQIIOY-IAGOWNOFSA-N	1	0	361.467	1.216	20	30		FDEDRO
C[C@@H](CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)[N@@H+]1CCC[C@@H](C)C1	ZINC000046348714	522281117	/nfs/dbraw/zinc/28/11/17/522281117.db2.gz	FGSHNXCAZVIFSL-SJORKVTESA-N	1	0	370.501	1.905	20	30		FDEDRO
CN(C)c1nc(C[N@H+](C)[C@H]2CCN(c3ccc(C#N)cc3)C2)cc(=O)[nH]1	ZINC000275862341	522335059	/nfs/dbraw/zinc/33/50/59/522335059.db2.gz	XPXNMMRYXRGRLK-KRWDZBQOSA-N	1	0	352.442	1.831	20	30		FDEDRO
Cn1nccc1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000046942289	522393593	/nfs/dbraw/zinc/39/35/93/522393593.db2.gz	QOZNNVZVZDAZJJ-UHFFFAOYSA-N	1	0	352.442	1.709	20	30		FDEDRO
Cn1cc(CCNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cn1	ZINC000046994213	522415622	/nfs/dbraw/zinc/41/56/22/522415622.db2.gz	AMBJVTHYYWOCFT-UHFFFAOYSA-N	1	0	366.469	1.752	20	30		FDEDRO
CCCc1nc(CO[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)no1	ZINC000072921388	522426208	/nfs/dbraw/zinc/42/62/08/522426208.db2.gz	NQKXHZMNMFMOFQ-UHFFFAOYSA-N	1	0	359.430	1.820	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)CC1	ZINC000073436791	522524413	/nfs/dbraw/zinc/52/44/13/522524413.db2.gz	JTVJNKNSUUNBDU-UHFFFAOYSA-N	1	0	365.499	1.721	20	30		FDEDRO
C[NH+]=C(NCC(=O)Nc1cccc(F)c1)N1CCC(C(=O)OC)CC1	ZINC000073631486	522568908	/nfs/dbraw/zinc/56/89/08/522568908.db2.gz	ULSSMMYOJBWFCB-UHFFFAOYSA-N	1	0	350.394	1.225	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)C(C)C	ZINC000047633510	522574488	/nfs/dbraw/zinc/57/44/88/522574488.db2.gz	BLSQPDGUROIOQV-KRWDZBQOSA-N	1	0	371.547	1.473	20	30		FDEDRO
C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N(C)Cc1ccccc1C	ZINC000073753522	522602501	/nfs/dbraw/zinc/60/25/01/522602501.db2.gz	DAJOOWBQYWGXFE-UHFFFAOYSA-N	1	0	366.531	1.674	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@H](C)C[NH+]1CCCC1	ZINC000047920081	522621762	/nfs/dbraw/zinc/62/17/62/522621762.db2.gz	CBDBILRXMVDBKJ-CQSZACIVSA-N	1	0	368.485	1.999	20	30		FDEDRO
C[NH+]1CCN(c2cc(CNS(=O)(=O)c3ccc(C#N)cc3)ccn2)CC1	ZINC000048273897	522703113	/nfs/dbraw/zinc/70/31/13/522703113.db2.gz	WJSHPTYUQBNYNK-UHFFFAOYSA-N	1	0	371.466	1.184	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O	ZINC000064361711	522707993	/nfs/dbraw/zinc/70/79/93/522707993.db2.gz	FEJRWVMSPADMLG-HZPDHXFCSA-N	1	0	362.474	1.246	20	30		FDEDRO
CCNS(=O)(=O)c1cccc(C(=O)N(CCC#N)CCC[NH+](C)C)c1	ZINC000064381300	522708876	/nfs/dbraw/zinc/70/88/76/522708876.db2.gz	BOFIUEIYIZUYSC-UHFFFAOYSA-N	1	0	366.487	1.292	20	30		FDEDRO
Cc1ccc(S(C)(=O)=O)cc1C(=O)N(CCC#N)CCC[NH+](C)C	ZINC000064362010	522709985	/nfs/dbraw/zinc/70/99/85/522709985.db2.gz	MCOFVTYRMCLSOL-UHFFFAOYSA-N	1	0	351.472	1.706	20	30		FDEDRO
C=CCNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1	ZINC000048619340	522757988	/nfs/dbraw/zinc/75/79/88/522757988.db2.gz	JKPSXWLBUCAWAI-UHFFFAOYSA-N	1	0	358.442	1.742	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C	ZINC000050145527	522891296	/nfs/dbraw/zinc/89/12/96/522891296.db2.gz	XZPTTZKRJCUJIL-CQSZACIVSA-N	1	0	372.450	1.986	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1	ZINC000050170366	522897454	/nfs/dbraw/zinc/89/74/54/522897454.db2.gz	XLQRCYZIGYHGSK-UHFFFAOYSA-N	1	0	370.453	1.840	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2CN2CCOCC2)cc1	ZINC000075889933	522987063	/nfs/dbraw/zinc/98/70/63/522987063.db2.gz	FKRWTEJQFIFTQJ-MOPGFXCFSA-N	1	0	359.470	1.289	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1	ZINC000066222886	522989406	/nfs/dbraw/zinc/98/94/06/522989406.db2.gz	YXWFQZOITLZCRW-KRWDZBQOSA-N	1	0	370.453	1.238	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1	ZINC000076239691	523052322	/nfs/dbraw/zinc/05/23/22/523052322.db2.gz	LPYBDQWHFOPWDC-CQSZACIVSA-N	1	0	361.417	1.767	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)cc1	ZINC000076673471	523167892	/nfs/dbraw/zinc/16/78/92/523167892.db2.gz	XGFCFLHQGFYFHS-HNNXBMFYSA-N	1	0	372.469	1.341	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1c(C#N)nnc2ccccc21	ZINC000077215109	523268226	/nfs/dbraw/zinc/26/82/26/523268226.db2.gz	CGZLLFQHMPTYME-QGZVFWFLSA-N	1	0	352.442	1.856	20	30		FDEDRO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](C)C	ZINC000067328364	523392412	/nfs/dbraw/zinc/39/24/12/523392412.db2.gz	KTBSSJYDJUUDPW-OAHLLOKOSA-N	1	0	360.458	1.988	20	30		FDEDRO
C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cn2cnc(C#N)n2)C1	ZINC000053620582	523475962	/nfs/dbraw/zinc/47/59/62/523475962.db2.gz	RWVIMLRKUAHGSM-OAHLLOKOSA-N	1	0	352.442	1.698	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(CC(=O)N2CCCC2)CC1	ZINC000078484484	523590405	/nfs/dbraw/zinc/59/04/05/523590405.db2.gz	GEHAPCJTUPHTKX-CQSZACIVSA-N	1	0	350.463	1.111	20	30		FDEDRO
CCn1nc2c(cc1=O)C[N@@H+](CCC(=O)Nc1ccccc1C#N)CC2	ZINC000078614696	523616687	/nfs/dbraw/zinc/61/66/87/523616687.db2.gz	YCUDGJUIZKVWGQ-UHFFFAOYSA-N	1	0	351.410	1.522	20	30		FDEDRO
CC(C)NC(=O)NC(=O)[C@H](C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000054642929	523671791	/nfs/dbraw/zinc/67/17/91/523671791.db2.gz	DUJLFLBFUZCOEZ-INIZCTEOSA-N	1	0	371.485	1.689	20	30		FDEDRO
C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1	ZINC000079007184	523687883	/nfs/dbraw/zinc/68/78/83/523687883.db2.gz	LTGJSNRWUVTLDM-INIZCTEOSA-N	1	0	374.485	1.332	20	30		FDEDRO
C[C@H](NC(=O)c1ccoc1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000068310066	523754728	/nfs/dbraw/zinc/75/47/28/523754728.db2.gz	VENBPRPVVXXEOS-HNNXBMFYSA-N	1	0	368.437	1.860	20	30		FDEDRO
N#CCSc1cccc(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000079540038	523763903	/nfs/dbraw/zinc/76/39/03/523763903.db2.gz	KPYDRDSJTFDSIK-OAHLLOKOSA-N	1	0	360.483	1.619	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1	ZINC000068342469	523764184	/nfs/dbraw/zinc/76/41/84/523764184.db2.gz	MDDFZXIONRLQNJ-OAHLLOKOSA-N	1	0	351.472	1.317	20	30		FDEDRO
C=CCNC(=O)CN1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1	ZINC000068388076	523774277	/nfs/dbraw/zinc/77/42/77/523774277.db2.gz	QASKRONJZDULMP-LJQANCHMSA-N	1	0	358.486	1.126	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1	ZINC000068430599	523785736	/nfs/dbraw/zinc/78/57/36/523785736.db2.gz	AVDYLXBHRNIYIY-UHFFFAOYSA-N	1	0	361.398	1.943	20	30		FDEDRO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1	ZINC000068498214	523802656	/nfs/dbraw/zinc/80/26/56/523802656.db2.gz	WLKCBFHAEBHVRW-OAHLLOKOSA-N	1	0	372.469	1.242	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)C1	ZINC000080795000	523907001	/nfs/dbraw/zinc/90/70/01/523907001.db2.gz	LVTPAVDLCGSZJV-GOSISDBHSA-N	1	0	365.499	1.821	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2C)C1	ZINC000080794788	523907340	/nfs/dbraw/zinc/90/73/40/523907340.db2.gz	YGFHLSRSZNWRNI-QGZVFWFLSA-N	1	0	365.499	1.988	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)CC1	ZINC000172029919	524097126	/nfs/dbraw/zinc/09/71/26/524097126.db2.gz	LDMBWCVKAAAEPX-GOSISDBHSA-N	1	0	356.470	1.910	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O	ZINC000110663387	524117930	/nfs/dbraw/zinc/11/79/30/524117930.db2.gz	KNRANPLWPNGXSD-UHFFFAOYSA-N	1	0	372.469	1.838	20	30		FDEDRO
C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C[NH+]1CCCCC1	ZINC000156650890	524124889	/nfs/dbraw/zinc/12/48/89/524124889.db2.gz	DHARGLPRCKTGOL-CYBMUJFWSA-N	1	0	366.443	1.867	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2nnnn2-c2ccccc2)CC1	ZINC000172151066	524137757	/nfs/dbraw/zinc/13/77/57/524137757.db2.gz	YALPDXQGKRUQED-AWEZNQCLSA-N	1	0	355.446	1.673	20	30		FDEDRO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCC[NH+]1CCC(O)CC1	ZINC000136140855	524186253	/nfs/dbraw/zinc/18/62/53/524186253.db2.gz	BNBHKERJYZMSBG-LJQANCHMSA-N	1	0	359.470	1.925	20	30		FDEDRO
C[C@H](ON=C(N)CCO)C(=O)N(C)Cc1ccc(Br)cc1	ZINC000121318198	524220507	/nfs/dbraw/zinc/22/05/07/524220507.db2.gz	FBBLUFCCWJHCBY-JTQLQIEISA-N	1	0	358.236	1.467	20	30		FDEDRO
[NH2+]=C(NCC(=O)NCCc1ccccc1)N[C@@H]1CCOc2ccccc21	ZINC000083034667	524233688	/nfs/dbraw/zinc/23/36/88/524233688.db2.gz	DTKODUXXAUEWGK-QGZVFWFLSA-N	1	0	352.438	1.773	20	30		FDEDRO
Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N(C)CCC#N	ZINC000137466848	524240134	/nfs/dbraw/zinc/24/01/34/524240134.db2.gz	AOOLSZJAJRVCGG-UHFFFAOYSA-N	1	0	366.487	1.211	20	30		FDEDRO
CNC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1	ZINC000111268810	524241202	/nfs/dbraw/zinc/24/12/02/524241202.db2.gz	GEBZUWOMHRTEQJ-CVEARBPZSA-N	1	0	372.469	1.788	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@@H](N2CCC[C@H](C[NH+]3CCOCC3)C2)C1=O	ZINC000083171928	524242622	/nfs/dbraw/zinc/24/26/22/524242622.db2.gz	VVEWOJVBKYXHNM-NVXWUHKLSA-N	1	0	374.510	1.769	20	30		FDEDRO
CC[NH+]1CCN(c2ccc(CNS(=O)(=O)CCCC#N)cc2F)CC1	ZINC000111341446	524266076	/nfs/dbraw/zinc/26/60/76/524266076.db2.gz	CLNINRVQQMFARO-UHFFFAOYSA-N	1	0	368.478	1.691	20	30		FDEDRO
C=CCOc1cccc(C[NH2+][C@H](C)C(=O)NC[C@@H]2CCS(=O)(=O)C2)c1	ZINC000111402938	524278250	/nfs/dbraw/zinc/27/82/50/524278250.db2.gz	FFDDDMHVIYOMRJ-ZBFHGGJFSA-N	1	0	366.483	1.280	20	30		FDEDRO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1	ZINC000121725572	524341154	/nfs/dbraw/zinc/34/11/54/524341154.db2.gz	VYDGYDADCFELIF-XLIONFOSSA-N	1	0	372.513	1.961	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-c3n[nH]c(C)n3)cc2)CC1	ZINC000173276172	524361706	/nfs/dbraw/zinc/36/17/06/524361706.db2.gz	QJRURPUSIBNTPD-UHFFFAOYSA-N	1	0	368.441	1.485	20	30		FDEDRO
C[C@@H]1CCC[C@](CNC(=O)C(=O)Nc2ccn(CCC#N)n2)([NH+](C)C)C1	ZINC000086449809	524393600	/nfs/dbraw/zinc/39/36/00/524393600.db2.gz	XYQKNODUROWUOA-KDOFPFPSSA-N	1	0	360.462	1.362	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCCN2C(=O)c2cccnc2)CC1	ZINC000173578518	524418415	/nfs/dbraw/zinc/41/84/15/524418415.db2.gz	OWJOIKGLBYYLKC-SFHVURJKSA-N	1	0	356.470	1.843	20	30		FDEDRO
C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc2cccnc21	ZINC000122130977	524458347	/nfs/dbraw/zinc/45/83/47/524458347.db2.gz	VBECLKRVRTZIRG-UHFFFAOYSA-N	1	0	353.426	1.867	20	30		FDEDRO
Cc1csc(CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)n1	ZINC000089120258	524476954	/nfs/dbraw/zinc/47/69/54/524476954.db2.gz	VSBVDPJOISAOKL-GFCCVEGCSA-N	1	0	351.476	1.832	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)n1	ZINC000122225048	524484083	/nfs/dbraw/zinc/48/40/83/524484083.db2.gz	FORMHUKWIMCQIT-HIFRSBDPSA-N	1	0	358.446	1.217	20	30		FDEDRO
C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)Cc2cccc(OCC#N)c2)CC1	ZINC000089821546	524531552	/nfs/dbraw/zinc/53/15/52/524531552.db2.gz	PHBPQBWBCVGIJL-IBGZPJMESA-N	1	0	370.497	1.760	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)NCCCC[NH+]1CCN(CCO)CC1	ZINC000151283188	524548593	/nfs/dbraw/zinc/54/85/93/524548593.db2.gz	VNJLSHNNXBUANX-UHFFFAOYSA-N	1	0	359.474	1.378	20	30		FDEDRO
Cc1cc(NC(=O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)n(C(C)(C)C)n1	ZINC000089942814	524554186	/nfs/dbraw/zinc/55/41/86/524554186.db2.gz	IDQQRCXLBAEVLB-UHFFFAOYSA-N	1	0	372.477	1.627	20	30		FDEDRO
COc1ccccc1N1CC[C@H]([N@H+](C)CCCc2[nH]nc(N)c2C#N)C1=O	ZINC000089942761	524555214	/nfs/dbraw/zinc/55/52/14/524555214.db2.gz	DLFWHPATBUVLHW-INIZCTEOSA-N	1	0	368.441	1.542	20	30		FDEDRO
CC[NH+]1CCN([C@@H](C)CNC(=O)COc2ccc(C#N)cc2OC)CC1	ZINC000112917560	524592151	/nfs/dbraw/zinc/59/21/51/524592151.db2.gz	DDCJHOYKEXDXDP-HNNXBMFYSA-N	1	0	360.458	1.088	20	30		FDEDRO
C=CCc1cc(C[NH2+]C[C@@](C)(O)CN2CCOCC2)cc(OC)c1O	ZINC000174483553	524597796	/nfs/dbraw/zinc/59/77/96/524597796.db2.gz	NOCWSCRBAYOLRS-LJQANCHMSA-N	1	0	350.459	1.302	20	30		FDEDRO
CCC(=O)N1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000151639481	524639706	/nfs/dbraw/zinc/63/97/06/524639706.db2.gz	HNLSLJZDYWFZIU-SFHVURJKSA-N	1	0	371.485	1.642	20	30		FDEDRO
CC[C@@H]1CN(C(=O)/C=C/c2ccc(OCC#N)cc2)CC[N@@H+]1C[C@@H](C)O	ZINC000174597719	524642136	/nfs/dbraw/zinc/64/21/36/524642136.db2.gz	VZSGIAJUMCWKAM-KESHDOJXSA-N	1	0	357.454	1.906	20	30		FDEDRO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)n1	ZINC000091194474	524657166	/nfs/dbraw/zinc/65/71/66/524657166.db2.gz	LUKBUWYKVYTPNW-UHFFFAOYSA-N	1	0	368.441	1.652	20	30		FDEDRO
Cc1cc(N2CC[C@@H]([NH2+]Cc3ccc(N(C)CCC#N)cc3)C2=O)n(C)n1	ZINC000174620060	524657297	/nfs/dbraw/zinc/65/72/97/524657297.db2.gz	LGBMDLZQXIDATE-GOSISDBHSA-N	1	0	366.469	1.974	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)CCCC(=O)Nc2ccccc2C#N)CCOCC1	ZINC000151770303	524678081	/nfs/dbraw/zinc/67/80/81/524678081.db2.gz	GBAZAHQNPIZCSH-UHFFFAOYSA-N	1	0	372.469	1.894	20	30		FDEDRO
CN(CCC[NH+]1CCN(C)CC1)CC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000174715725	524703112	/nfs/dbraw/zinc/70/31/12/524703112.db2.gz	OUBXPMKHHGIXFD-UHFFFAOYSA-N	1	0	363.893	1.719	20	30		FDEDRO
C#CCC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)CC1	ZINC000091480311	524713645	/nfs/dbraw/zinc/71/36/45/524713645.db2.gz	HYANXQBKXFUKPM-UHFFFAOYSA-N	1	0	362.499	1.402	20	30		FDEDRO
COCC[N@H+](CCCN1C(=O)NC(C)(C)C1=O)Cc1ccc(C#N)cc1	ZINC000123408616	524746586	/nfs/dbraw/zinc/74/65/86/524746586.db2.gz	KHMMDAJPGJWPMH-UHFFFAOYSA-N	1	0	358.442	1.727	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N(CC[NH+](C)C)C(C)C)c1	ZINC000123527568	524769374	/nfs/dbraw/zinc/76/93/74/524769374.db2.gz	DUFZPIATFIFDKP-UHFFFAOYSA-N	1	0	353.488	1.563	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C[C@@H]3CCOC3)C3CC3)CC2)o1	ZINC000123782041	524828439	/nfs/dbraw/zinc/82/84/39/524828439.db2.gz	NECUXYXKLZLSGB-HNNXBMFYSA-N	1	0	373.457	1.004	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1	ZINC000175016663	524836706	/nfs/dbraw/zinc/83/67/06/524836706.db2.gz	YDQZDAJDHISKSA-MRXNPFEDSA-N	1	0	360.458	1.303	20	30		FDEDRO
C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCC(=O)N(C)CCC#N	ZINC000092793552	524916347	/nfs/dbraw/zinc/91/63/47/524916347.db2.gz	VJQNUEZLJXENEM-CYBMUJFWSA-N	1	0	352.460	1.089	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(Cc2cnc3ccc(C#N)cn23)CC1	ZINC000093045533	524948206	/nfs/dbraw/zinc/94/82/06/524948206.db2.gz	SLEURYXRFFLAJT-UHFFFAOYSA-N	1	0	354.458	1.192	20	30		FDEDRO
C[NH+]=C(NCc1ccc(S(N)(=O)=O)s1)N1CC[C@@H](CC(C)C)C1	ZINC000175562615	524978631	/nfs/dbraw/zinc/97/86/31/524978631.db2.gz	PRMQMEIDONOVIG-LBPRGKRZSA-N	1	0	358.533	1.839	20	30		FDEDRO
C[NH+](C)C[C@@](C)(O)CNC(=O)c1occc1COc1cccc(C#N)c1	ZINC000153073856	525100171	/nfs/dbraw/zinc/10/01/71/525100171.db2.gz	SIPHPTXASFGXDV-IBGZPJMESA-N	1	0	357.410	1.773	20	30		FDEDRO
C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000161428994	525107176	/nfs/dbraw/zinc/10/71/76/525107176.db2.gz	SRBPCAWMZKIIPQ-ZDUSSCGKSA-N	1	0	365.377	1.168	20	30		FDEDRO
C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153270803	525162613	/nfs/dbraw/zinc/16/26/13/525162613.db2.gz	UCVIWEXCKJCFQW-GFCCVEGCSA-N	1	0	351.414	1.627	20	30		FDEDRO
C#CCOc1ccc(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)cc1	ZINC000161948499	525192377	/nfs/dbraw/zinc/19/23/77/525192377.db2.gz	AXHISMLXGSBXDD-UHFFFAOYSA-N	1	0	364.449	1.775	20	30		FDEDRO
CC[NH+]=C(NC[C@@H](O)c1ccc(Cl)cc1)N[C@H]1CCc2ncnn2C1	ZINC000153399247	525201217	/nfs/dbraw/zinc/20/12/17/525201217.db2.gz	YBBKWDQCOOGLRJ-LSDHHAIUSA-N	1	0	362.865	1.535	20	30		FDEDRO
Cc1nn(C)c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1[N+](=O)[O-]	ZINC000098099126	525203680	/nfs/dbraw/zinc/20/36/80/525203680.db2.gz	LCUOGIFQILNRDB-UHFFFAOYSA-N	1	0	370.413	1.712	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)NCCc1ccc(F)cc1	ZINC000125474612	525204959	/nfs/dbraw/zinc/20/49/59/525204959.db2.gz	NSTLUZYWDHWOKN-UHFFFAOYSA-N	1	0	358.421	1.226	20	30		FDEDRO
NC(=NOCC(=O)N1CCOCC1)c1cccc(C[NH+]2CCCCC2)c1	ZINC000101540835	525227120	/nfs/dbraw/zinc/22/71/20/525227120.db2.gz	IFHWDKNOTUFGSG-UHFFFAOYSA-N	1	0	360.458	1.168	20	30		FDEDRO
C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(C)(C)C[NH+](C)C	ZINC000126062109	525268672	/nfs/dbraw/zinc/26/86/72/525268672.db2.gz	QWQVUTCPZURWBY-LLVKDONJSA-N	1	0	354.432	1.721	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1	ZINC000153654020	525277100	/nfs/dbraw/zinc/27/71/00/525277100.db2.gz	NAAYANRXYWQYQN-IEBWSBKVSA-N	1	0	366.465	1.763	20	30		FDEDRO
CC(C)(C)NC(=O)CON=C(N)c1ccccc1C[NH+]1CCC(O)CC1	ZINC000104054391	525388500	/nfs/dbraw/zinc/38/85/00/525388500.db2.gz	FTBMAWYGFGCXDW-UHFFFAOYSA-N	1	0	362.474	1.195	20	30		FDEDRO
[NH2+]=C(NCCC(=O)N1CCOCC1)Nc1ccccc1OC(F)(F)F	ZINC000178573783	525448144	/nfs/dbraw/zinc/44/81/44/525448144.db2.gz	VMXLMDPUKZURHY-UHFFFAOYSA-N	1	0	360.336	1.561	20	30		FDEDRO
C#CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1	ZINC000127892304	525477853	/nfs/dbraw/zinc/47/78/53/525477853.db2.gz	VCXLUMMJGHDEMB-ZBFHGGJFSA-N	1	0	363.483	1.153	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(N)=O)nc1	ZINC000164106777	525478485	/nfs/dbraw/zinc/47/84/85/525478485.db2.gz	AHJBKNXBGVZWKV-UHFFFAOYSA-N	1	0	366.425	1.648	20	30		FDEDRO
CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(c3ncccc3C#N)CC2)C1	ZINC000105275919	525486014	/nfs/dbraw/zinc/48/60/14/525486014.db2.gz	SIOKKGJPKUUOKQ-KRWDZBQOSA-N	1	0	370.501	1.905	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)CC1	ZINC000118553170	525508877	/nfs/dbraw/zinc/50/88/77/525508877.db2.gz	FYHYVGTYSXTFCH-UHFFFAOYSA-N	1	0	366.487	1.804	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H](C)NC(=O)c2ccccc2)c1C#N	ZINC000128158623	525510290	/nfs/dbraw/zinc/51/02/90/525510290.db2.gz	STURBHLAHPVBPH-CYBMUJFWSA-N	1	0	368.441	1.580	20	30		FDEDRO
CC[NH+]1CCN([C@@H]2CCN(CC(=O)Nc3oc(C)c(C)c3C#N)C2)CC1	ZINC000118834867	525556339	/nfs/dbraw/zinc/55/63/39/525556339.db2.gz	BEVVCWRDBVNZMC-MRXNPFEDSA-N	1	0	359.474	1.418	20	30		FDEDRO
C=CCNC(=O)CNC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2	ZINC000179763427	525627890	/nfs/dbraw/zinc/62/78/90/525627890.db2.gz	CGLYYQYTQRTFMI-AWEZNQCLSA-N	1	0	372.469	1.404	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NC2CCN(C(=O)C(C)C)CC2)CC1	ZINC000106258499	525684611	/nfs/dbraw/zinc/68/46/11/525684611.db2.gz	OEHNZKPMUFUJFY-UHFFFAOYSA-N	1	0	350.507	1.973	20	30		FDEDRO
C[NH+]=C(NCCOc1ccc(F)c(F)c1)N[C@@H]1CCCn2nc(C)nc21	ZINC000129717099	525685050	/nfs/dbraw/zinc/68/50/50/525685050.db2.gz	HSDMZCIHUMTTNU-OAHLLOKOSA-N	1	0	364.400	1.944	20	30		FDEDRO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1	ZINC000119294562	525697411	/nfs/dbraw/zinc/69/74/11/525697411.db2.gz	NGCYWRHCJLVIQC-YOEHRIQHSA-N	1	0	372.469	1.340	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3CCCC3)nc2)CC1	ZINC000106349170	525698965	/nfs/dbraw/zinc/69/89/65/525698965.db2.gz	JAMRQZQJZYSIOD-UHFFFAOYSA-N	1	0	371.485	1.777	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cnc3c(c2)c(C)nn3C)CC1	ZINC000106349175	525699329	/nfs/dbraw/zinc/69/93/29/525699329.db2.gz	UJFAPBPDKRPBGN-UHFFFAOYSA-N	1	0	370.457	1.372	20	30		FDEDRO
COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1	ZINC000106384183	525707261	/nfs/dbraw/zinc/70/72/61/525707261.db2.gz	PFNHSDBYFVSFHE-FUHIMQAGSA-N	1	0	361.486	1.477	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCOC3(CCCCC3)C2)CC1	ZINC000180687522	525741115	/nfs/dbraw/zinc/74/11/15/525741115.db2.gz	RAIQRBSNTFKEFX-GOSISDBHSA-N	1	0	362.518	1.714	20	30		FDEDRO
C[NH+]1CCN(c2ncccc2CNC(=O)CNc2cccc(C#N)c2)CC1	ZINC000155177607	525771055	/nfs/dbraw/zinc/77/10/55/525771055.db2.gz	LYFYCSXGWDFVSA-UHFFFAOYSA-N	1	0	364.453	1.433	20	30		FDEDRO
CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)cc1	ZINC000181024676	525791166	/nfs/dbraw/zinc/79/11/66/525791166.db2.gz	BRJKADGUXMJZMS-DYVFJYSZSA-N	1	0	366.487	1.300	20	30		FDEDRO
Cc1cccc(C(=O)N2CCC[N@@H+](CCC(=O)N(C)CCC#N)CC2)c1	ZINC000131092583	525825504	/nfs/dbraw/zinc/82/55/04/525825504.db2.gz	HXVODFKEJLMUPS-UHFFFAOYSA-N	1	0	356.470	1.905	20	30		FDEDRO
N#Cc1ccc(C(=O)NCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1	ZINC000171105589	525847085	/nfs/dbraw/zinc/84/70/85/525847085.db2.gz	ZHBVDZWFQAUVGH-KRWDZBQOSA-N	1	0	366.421	1.834	20	30		FDEDRO
CC[N@H+](CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(C)C	ZINC000131459634	525862714	/nfs/dbraw/zinc/86/27/14/525862714.db2.gz	AKHLFLXDEHRQDP-CQSZACIVSA-N	1	0	366.487	1.072	20	30		FDEDRO
C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)c2ccc(C#N)cn2)CC1	ZINC000107467955	525891310	/nfs/dbraw/zinc/89/13/10/525891310.db2.gz	PTPKTJCDDSVTNX-UHFFFAOYSA-N	1	0	363.421	1.983	20	30		FDEDRO
N#Cc1ccc([C@@H](O)C[N@@H+]2CCCN(CC(=O)N3CCCC3)CC2)cc1	ZINC000155540152	525900025	/nfs/dbraw/zinc/90/00/25/525900025.db2.gz	LYILVMZXHURTFZ-IBGZPJMESA-N	1	0	356.470	1.222	20	30		FDEDRO
C[NH+](C)CCOc1ccccc1CNS(=O)(=O)c1cccc(C#N)c1	ZINC000119976924	525925527	/nfs/dbraw/zinc/92/55/27/525925527.db2.gz	LRKOIUMIYZPMBA-UHFFFAOYSA-N	1	0	359.451	1.977	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)c1	ZINC000108332393	525953878	/nfs/dbraw/zinc/95/38/78/525953878.db2.gz	JEKYNTDUDKVHBN-AWEZNQCLSA-N	1	0	351.472	1.223	20	30		FDEDRO
CCOc1ccc(N(CCC#N)C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cc1	ZINC000155766463	525968834	/nfs/dbraw/zinc/96/88/34/525968834.db2.gz	OQVNLAUVGWAZPJ-INIZCTEOSA-N	1	0	372.469	1.742	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)CC1	ZINC000156012040	526033172	/nfs/dbraw/zinc/03/31/72/526033172.db2.gz	KXYCZPKXTTUHAL-IEBWSBKVSA-N	1	0	357.429	1.559	20	30		FDEDRO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1	ZINC000120379710	526046878	/nfs/dbraw/zinc/04/68/78/526046878.db2.gz	CMULQHYXPDOFOL-PBHICJAKSA-N	1	0	373.428	1.719	20	30		FDEDRO
C[NH2+]CCCc1[nH]nc(NC(=O)CSC[C@@H]2CCCCO2)c1C#N	ZINC000133736863	526087507	/nfs/dbraw/zinc/08/75/07/526087507.db2.gz	QWIODYGXBJEGBD-LBPRGKRZSA-N	1	0	351.476	1.674	20	30		FDEDRO
COCCN(CC[NH+](C)C)C(=O)N[C@H]1CCCN(c2ccccc2C#N)C1	ZINC000109179395	526087907	/nfs/dbraw/zinc/08/79/07/526087907.db2.gz	HZTBVYKJNKJGLO-SFHVURJKSA-N	1	0	373.501	1.747	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)CC1	ZINC000171727136	526096946	/nfs/dbraw/zinc/09/69/46/526096946.db2.gz	HZOVJFIMNFIAQP-UHFFFAOYSA-N	1	0	365.499	1.754	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)Nc2ccc(OCC(=O)NCC)cc2)CC1	ZINC000171740872	526104560	/nfs/dbraw/zinc/10/45/60/526104560.db2.gz	YDAZGYQMAMYWIA-UHFFFAOYSA-N	1	0	360.458	1.973	20	30		FDEDRO
C=CCNC(=O)CN1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000109673905	526161094	/nfs/dbraw/zinc/16/10/94/526161094.db2.gz	TYRKRRCMTXGVJG-GOSISDBHSA-N	1	0	357.502	1.218	20	30		FDEDRO
Cc1oc(NC(=O)CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c(C#N)c1C	ZINC000109754345	526174182	/nfs/dbraw/zinc/17/41/82/526174182.db2.gz	CARFTVLFARUGST-KRWDZBQOSA-N	1	0	373.501	1.809	20	30		FDEDRO
C=C(C)CN(C)C(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C	ZINC000183042809	535909732	/nfs/dbraw/zinc/90/97/32/535909732.db2.gz	NBOOSJVZGGYQLY-UHFFFAOYSA-N	1	0	367.515	1.873	20	30		FDEDRO
CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000183668915	536026356	/nfs/dbraw/zinc/02/63/56/536026356.db2.gz	BRSUTGRXGWGQEL-UHFFFAOYSA-N	1	0	370.906	1.470	20	30		FDEDRO
C#CCOc1ccc(C[NH+]2CCC(n3cc(C(=O)OC)nn3)CC2)cc1	ZINC000184759529	536182301	/nfs/dbraw/zinc/18/23/01/536182301.db2.gz	LNIGIVPTUKLMFQ-UHFFFAOYSA-N	1	0	354.410	1.914	20	30		FDEDRO
C[C@@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)N1CC[NH+](C)CC1	ZINC000184901068	536190592	/nfs/dbraw/zinc/19/05/92/536190592.db2.gz	BPYCOTKESKWSJN-LBPRGKRZSA-N	1	0	356.879	1.126	20	30		FDEDRO
C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1	ZINC000185123219	536199459	/nfs/dbraw/zinc/19/94/59/536199459.db2.gz	KECOMKUPJDMLTL-WBVHZDCISA-N	1	0	355.438	1.580	20	30		FDEDRO
Cc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)CCN1CC[NH+](C)CC1	ZINC000185347755	536206130	/nfs/dbraw/zinc/20/61/30/536206130.db2.gz	TTWODGYURBLRIP-OAHLLOKOSA-N	1	0	350.488	1.171	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN([C@H]2CCC[N@H+](CCCC#N)C2)C(=O)C1	ZINC000186463238	536234972	/nfs/dbraw/zinc/23/49/72/536234972.db2.gz	NOTSJUYAQOMKQR-HNNXBMFYSA-N	1	0	350.463	1.834	20	30		FDEDRO
Cc1nc(C(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1C#N	ZINC000188166951	536284559	/nfs/dbraw/zinc/28/45/59/536284559.db2.gz	OZFYLWZSWHQUHU-OAQYLSRUSA-N	1	0	364.449	1.971	20	30		FDEDRO
C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)nc1C	ZINC000188306868	536289691	/nfs/dbraw/zinc/28/96/91/536289691.db2.gz	GEGSRQPBLZULBY-DTWKUNHWSA-N	1	0	368.463	1.823	20	30		FDEDRO
C[NH+]=C(NC[C@@H](O)c1ccc(Cl)cc1)N[C@@H]1CCc2nc(C)nn2C1	ZINC000262796689	536903468	/nfs/dbraw/zinc/90/34/68/536903468.db2.gz	PUMMNXUCVFQMKY-HUUCEWRRSA-N	1	0	362.865	1.453	20	30		FDEDRO
CC[NH+](CC)[C@@H]1CCN(CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1	ZINC000266630187	536912028	/nfs/dbraw/zinc/91/20/28/536912028.db2.gz	PFIYBCMTMIEPIJ-GDBMZVCRSA-N	1	0	367.453	1.928	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)CCN1CC(C)(C)O	ZINC000188802218	536951960	/nfs/dbraw/zinc/95/19/60/536951960.db2.gz	KMHJTLTXBNBFCE-GFCCVEGCSA-N	1	0	371.890	1.677	20	30		FDEDRO
Cc1sc(NC(=O)CN2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c(C#N)c1C	ZINC000246441753	536954915	/nfs/dbraw/zinc/95/49/15/536954915.db2.gz	UNIKYBSNWJHOIS-RYUDHWBXSA-N	1	0	350.488	1.562	20	30		FDEDRO
C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1	ZINC000267397906	536975578	/nfs/dbraw/zinc/97/55/78/536975578.db2.gz	IKPXCFKHWATTSH-HUUCEWRRSA-N	1	0	361.417	1.765	20	30		FDEDRO
N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@@H](CN4CCOCC4)C3)C2=O)cc1	ZINC000246541584	536977765	/nfs/dbraw/zinc/97/77/65/536977765.db2.gz	CSESUUJWTIWLSV-HKUYNNGSSA-N	1	0	354.454	1.318	20	30		FDEDRO
COC(=O)CCCCCCCNC(=[NH2+])N1CCN(c2ncccn2)CC1	ZINC000268353105	537012457	/nfs/dbraw/zinc/01/24/57/537012457.db2.gz	FFAAXPHZJLCIGK-UHFFFAOYSA-N	1	0	362.478	1.427	20	30		FDEDRO
Cc1nc(CN2CCC[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)no1	ZINC000246966533	537060295	/nfs/dbraw/zinc/06/02/95/537060295.db2.gz	BVRYLOBUNCKNHN-QGZVFWFLSA-N	1	0	371.441	1.197	20	30		FDEDRO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)CC1(O)CCOCC1	ZINC000189752987	537089453	/nfs/dbraw/zinc/08/94/53/537089453.db2.gz	CGPFABFEDKVMJV-PQUAAJSLSA-N	1	0	351.491	1.779	20	30		FDEDRO
C=C(C)COCCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000247302424	537104675	/nfs/dbraw/zinc/10/46/75/537104675.db2.gz	FGUCNKIOXLBNIS-RBUKOAKNSA-N	1	0	361.486	1.761	20	30		FDEDRO
CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000247394817	537116116	/nfs/dbraw/zinc/11/61/16/537116116.db2.gz	QPZMENGBHQTMIJ-SUMWQHHRSA-N	1	0	352.442	1.785	20	30		FDEDRO
C#CCNC(=O)c1ccc(N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)nc1	ZINC000264887525	537148872	/nfs/dbraw/zinc/14/88/72/537148872.db2.gz	SMQFTPQGSQTNSF-GOSISDBHSA-N	1	0	355.486	1.051	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)NCc2ccnc(OC3CCOCC3)c2)CC1	ZINC000264965055	537150707	/nfs/dbraw/zinc/15/07/07/537150707.db2.gz	MXRCSFZMZRLQPW-UHFFFAOYSA-N	1	0	357.454	1.601	20	30		FDEDRO
C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000190287606	537161411	/nfs/dbraw/zinc/16/14/11/537161411.db2.gz	VJQDOOGOHDAZHC-MSOLQXFVSA-N	1	0	369.469	1.395	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2=O)CC1	ZINC000192286898	537223194	/nfs/dbraw/zinc/22/31/94/537223194.db2.gz	LQEGMVIYQVPYHX-LJQANCHMSA-N	1	0	353.466	1.557	20	30		FDEDRO
CN(CC(=O)N[C@](C)(C#N)C1CC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000249534062	537237775	/nfs/dbraw/zinc/23/77/75/537237775.db2.gz	BXLORIBWXGGFND-RTWAWAEBSA-N	1	0	370.497	1.364	20	30		FDEDRO
C[C@H](C(=O)N(C)CCC#N)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000249553837	537238434	/nfs/dbraw/zinc/23/84/34/537238434.db2.gz	IZRFXFUOGKMNEI-XLIONFOSSA-N	1	0	358.486	1.316	20	30		FDEDRO
C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)[C@H](C)C1	ZINC000193984387	537257709	/nfs/dbraw/zinc/25/77/09/537257709.db2.gz	MXLNLOPIGRCXNO-VXGBXAGGSA-N	1	0	357.863	1.287	20	30		FDEDRO
CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccnc(C#N)c1	ZINC000194045927	537258433	/nfs/dbraw/zinc/25/84/33/537258433.db2.gz	AOHPMOOBKJDTFG-HXUWFJFHSA-N	1	0	350.422	1.662	20	30		FDEDRO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCC1(C)CC[NH+](C)CC1	ZINC000272468030	537285000	/nfs/dbraw/zinc/28/50/00/537285000.db2.gz	DFKSPVOQQJJEHP-CQSZACIVSA-N	1	0	358.442	1.764	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)nc1	ZINC000293055636	537317637	/nfs/dbraw/zinc/31/76/37/537317637.db2.gz	OOXXSEODHKBOTH-CQSZACIVSA-N	1	0	369.450	1.907	20	30		FDEDRO
C=CCn1c(CC2CCCC2)nnc1N1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000282678630	537332780	/nfs/dbraw/zinc/33/27/80/537332780.db2.gz	SONOOGXUEAETFB-UHFFFAOYSA-N	1	0	374.533	1.797	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000283073932	537349962	/nfs/dbraw/zinc/34/99/62/537349962.db2.gz	VBFPFIZZABQXHA-WBVHZDCISA-N	1	0	350.488	1.719	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@]2(CO)C[C@@H]2c2ccccc2)CC1	ZINC000290487078	537355919	/nfs/dbraw/zinc/35/59/19/537355919.db2.gz	GPQUAGNGUSQWTM-YLJYHZDGSA-N	1	0	374.485	1.678	20	30		FDEDRO
COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1	ZINC000293123482	537359512	/nfs/dbraw/zinc/35/95/12/537359512.db2.gz	ZIKSQRGLUOJVJC-MRXNPFEDSA-N	1	0	357.414	1.367	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NCCCc3nccs3)=[NH+]C[C@H]2C1	ZINC000290678604	537384881	/nfs/dbraw/zinc/38/48/81/537384881.db2.gz	PTGXXABQVPDKIT-ZDUSSCGKSA-N	1	0	365.503	1.956	20	30		FDEDRO
C=CCOC[C@H]1NC(=O)N(C[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)C1=O	ZINC000348436972	537385973	/nfs/dbraw/zinc/38/59/73/537385973.db2.gz	YGQVFLFUYKPTBO-QZTJIDSGSA-N	1	0	373.453	1.955	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@H](COCC)C1)C(C)C	ZINC000283887619	537390068	/nfs/dbraw/zinc/39/00/68/537390068.db2.gz	FDOJJELJGOUYCG-QZTJIDSGSA-N	1	0	365.518	1.686	20	30		FDEDRO
Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)NCCCCC#N)CC1	ZINC000283898540	537390290	/nfs/dbraw/zinc/39/02/90/537390290.db2.gz	DBRZTICICZJVJW-UHFFFAOYSA-N	1	0	356.470	1.886	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cnn(-c2ccc(C)cc2C)c1	ZINC000293205989	537391066	/nfs/dbraw/zinc/39/10/66/537391066.db2.gz	ATFMQBGZIZRVKF-UHFFFAOYSA-N	1	0	367.453	1.499	20	30		FDEDRO
Cc1nnc(CCNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)s1	ZINC000290699141	537392557	/nfs/dbraw/zinc/39/25/57/537392557.db2.gz	SBLAFDFWAKADOW-UHFFFAOYSA-N	1	0	354.480	1.256	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC(OC)CC1)C(C)C	ZINC000283958040	537395847	/nfs/dbraw/zinc/39/58/47/537395847.db2.gz	HYVKVTZPIFLACN-QGZVFWFLSA-N	1	0	351.491	1.439	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NCCCCOCC)C(C)C	ZINC000283982003	537399239	/nfs/dbraw/zinc/39/92/39/537399239.db2.gz	HDWNRJPFYQXRRU-QGZVFWFLSA-N	1	0	353.507	1.734	20	30		FDEDRO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1	ZINC000286056811	537416175	/nfs/dbraw/zinc/41/61/75/537416175.db2.gz	AYPRUCAQUGRORG-HNNXBMFYSA-N	1	0	359.470	1.809	20	30		FDEDRO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)c(OC)c1	ZINC000299096883	537442456	/nfs/dbraw/zinc/44/24/56/537442456.db2.gz	PMKOFTHALYYUCI-ZWKOTPCHSA-N	1	0	374.481	1.906	20	30		FDEDRO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(F)ccc1Br	ZINC000293408583	537444543	/nfs/dbraw/zinc/44/45/43/537444543.db2.gz	PAFZJDYXKBYRFH-UHFFFAOYSA-N	1	0	370.222	1.598	20	30		FDEDRO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1F	ZINC000290882685	537448118	/nfs/dbraw/zinc/44/81/18/537448118.db2.gz	UFSQPOMJTFIGCC-AWEZNQCLSA-N	1	0	358.417	1.970	20	30		FDEDRO
CC(C)OCC[NH+]1CCC(NS(=O)(=O)Cc2ccc(C#N)cc2)CC1	ZINC000288252687	537467307	/nfs/dbraw/zinc/46/73/07/537467307.db2.gz	GYJWJRRMLOSKOP-UHFFFAOYSA-N	1	0	365.499	1.867	20	30		FDEDRO
C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000299197018	537473435	/nfs/dbraw/zinc/47/34/35/537473435.db2.gz	TXMYRLNUNHPCOD-IBGZPJMESA-N	1	0	353.466	1.716	20	30		FDEDRO
Cc1ccc([C@@H]([NH2+]CCC(=O)N(C)CCC#N)[C@@H](C)S(C)(=O)=O)cc1	ZINC000280910675	537479673	/nfs/dbraw/zinc/47/96/73/537479673.db2.gz	SBSOPOOJLCOGKM-QAPCUYQASA-N	1	0	365.499	1.821	20	30		FDEDRO
C=CCN(Cc1ccccc1)C(=O)C(=O)NCCCC[NH+]1CCOCC1	ZINC000284731572	537501236	/nfs/dbraw/zinc/50/12/36/537501236.db2.gz	RCPHEXVULIGDDM-UHFFFAOYSA-N	1	0	359.470	1.430	20	30		FDEDRO
C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1	ZINC000281184264	537512231	/nfs/dbraw/zinc/51/22/31/537512231.db2.gz	RPUQVRCYIRUFKS-MWLCHTKSSA-N	1	0	363.277	1.684	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)NCc1ccccc1C[NH+]1CCCC1	ZINC000284774924	537527755	/nfs/dbraw/zinc/52/77/55/537527755.db2.gz	SERWUCJODAFRRM-UHFFFAOYSA-N	1	0	359.470	1.608	20	30		FDEDRO
C[C@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)[C@@H](c1ccccc1)[NH+](C)C	ZINC000274688035	537529997	/nfs/dbraw/zinc/52/99/97/537529997.db2.gz	KZFAYLSDCYNMLC-UKYXWTPTSA-N	1	0	370.453	1.711	20	30		FDEDRO
CN1CCN(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C[C@H]1C#N	ZINC000274699537	537530126	/nfs/dbraw/zinc/53/01/26/537530126.db2.gz	YAHVNPWWFARYMA-GOSISDBHSA-N	1	0	355.486	1.672	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCC(Oc3cncc(Cl)n3)CC2)CC1	ZINC000275289772	537551605	/nfs/dbraw/zinc/55/16/05/537551605.db2.gz	UABSNYQHZRIALE-UHFFFAOYSA-N	1	0	362.861	1.845	20	30		FDEDRO
CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)N(C)C[C@@H](C)C#N	ZINC000275728837	537559689	/nfs/dbraw/zinc/55/96/89/537559689.db2.gz	UAICXMLCLBIJPN-HNNXBMFYSA-N	1	0	360.458	1.964	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1	ZINC000299385110	537560597	/nfs/dbraw/zinc/56/05/97/537560597.db2.gz	SYEXJNZPUPQIOX-UHFFFAOYSA-N	1	0	360.414	1.917	20	30		FDEDRO
C=CCC[N@@H+](C)CC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O	ZINC000276508761	537560972	/nfs/dbraw/zinc/56/09/72/537560972.db2.gz	XFHAXIUCTRHCRU-GOSISDBHSA-N	1	0	360.414	1.001	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)ccc1F	ZINC000360399564	537585413	/nfs/dbraw/zinc/58/54/13/537585413.db2.gz	CPTCWUNOMUUQML-LSDHHAIUSA-N	1	0	367.446	1.307	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NCc2cccc(-c3nc[nH]n3)c2)CC1	ZINC000304745979	537597816	/nfs/dbraw/zinc/59/78/16/537597816.db2.gz	FLQZEXVMIHTVGQ-UHFFFAOYSA-N	1	0	371.445	1.497	20	30		FDEDRO
CC[C@H](C)NC(=O)CCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000305003068	537598794	/nfs/dbraw/zinc/59/87/94/537598794.db2.gz	HWRVDIAVDWFSOU-UONOGXRCSA-N	1	0	367.494	1.172	20	30		FDEDRO
C=CCn1c(=O)c2ccc(C(=O)N3CCC(C[NH2+]C)CC3)cc2[n-]c1=S	ZINC000237087435	537611157	/nfs/dbraw/zinc/61/11/57/537611157.db2.gz	FKTPHBVNQMQPPW-UHFFFAOYSA-N	1	0	372.494	1.943	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](C[NH2+]C)C2)c1	ZINC000237211814	537618367	/nfs/dbraw/zinc/61/83/67/537618367.db2.gz	YMVNHIXMQCPBQT-AWEZNQCLSA-N	1	0	351.472	1.223	20	30		FDEDRO
Cc1c([C@H]2OCC[C@@H]2C(=O)N[C@H](CO)C[NH+]2CCCCC2)cnn1C	ZINC000329163729	537634486	/nfs/dbraw/zinc/63/44/86/537634486.db2.gz	GQNNIUSLORPJDA-ZOBUZTSGSA-N	1	0	350.463	1.609	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1sccc1C#N	ZINC000293984218	537635809	/nfs/dbraw/zinc/63/58/09/537635809.db2.gz	BPIJHBVXSUNGSI-LBPRGKRZSA-N	1	0	362.455	1.270	20	30		FDEDRO
C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2CC[NH2+]C2)nc1C	ZINC000237669904	537635862	/nfs/dbraw/zinc/63/58/62/537635862.db2.gz	ROOLNVXRBYMAJY-SECBINFHSA-N	1	0	350.473	1.733	20	30		FDEDRO
CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1	ZINC000329180016	537635888	/nfs/dbraw/zinc/63/58/88/537635888.db2.gz	DFFFPRAXVUYJFJ-BHYGNILZSA-N	1	0	363.462	1.149	20	30		FDEDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Nc1ccc(C#N)c(F)c1	ZINC000289959506	537636842	/nfs/dbraw/zinc/63/68/42/537636842.db2.gz	WVPIMYBACCPECS-MRXNPFEDSA-N	1	0	361.421	1.762	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)cc1	ZINC000291604928	537640218	/nfs/dbraw/zinc/64/02/18/537640218.db2.gz	BZZBLNUDXORKEX-TZIWHRDSSA-N	1	0	352.434	1.934	20	30		FDEDRO
C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1	ZINC000329612632	537640680	/nfs/dbraw/zinc/64/06/80/537640680.db2.gz	DPOPGDKOYBAXFC-CWRNSKLLSA-N	1	0	357.520	1.720	20	30		FDEDRO
O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N(C[C@H]1CCOC1)C1CC1	ZINC000329657590	537640941	/nfs/dbraw/zinc/64/09/41/537640941.db2.gz	GURPBMLJRDXXQI-JKSUJKDBSA-N	1	0	351.491	1.902	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC3(CCOCC3)[C@@H]2C)CC1	ZINC000329654042	537640998	/nfs/dbraw/zinc/64/09/98/537640998.db2.gz	FDLAOCLULIKSIF-ROUUACIJSA-N	1	0	362.518	1.570	20	30		FDEDRO
O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N(C[C@@H]1CCOC1)C1CC1	ZINC000329657589	537641438	/nfs/dbraw/zinc/64/14/38/537641438.db2.gz	GURPBMLJRDXXQI-HOTGVXAUSA-N	1	0	351.491	1.902	20	30		FDEDRO
CO[C@H]1C[C@H](C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)N(S(C)(=O)=O)C1	ZINC000329866375	537644196	/nfs/dbraw/zinc/64/41/96/537644196.db2.gz	BACAAARGKORGRZ-SOUVJXGZSA-N	1	0	361.508	1.112	20	30		FDEDRO
C=C[C@@H](CO)[NH2+]Cc1cc(I)c(OC)c(OC)c1	ZINC000289999800	537644975	/nfs/dbraw/zinc/64/49/75/537644975.db2.gz	YBQSJBHIRAMURL-JTQLQIEISA-N	1	0	363.195	1.945	20	30		FDEDRO
C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)CC1	ZINC000329924693	537646444	/nfs/dbraw/zinc/64/64/44/537646444.db2.gz	HSYVZWSFNWXMIP-OWCLPIDISA-N	1	0	367.494	1.085	20	30		FDEDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1	ZINC000329958205	537647395	/nfs/dbraw/zinc/64/73/95/537647395.db2.gz	MMKSEFAXOVZPAX-APWZRJJASA-N	1	0	368.522	1.196	20	30		FDEDRO
O=C(CN1CC[NH+](C2CCOCC2)CC1)NC[C@@H]1Cc2ccccc2O1	ZINC000330008039	537649756	/nfs/dbraw/zinc/64/97/56/537649756.db2.gz	FBKOLHROSKRIQH-SFHVURJKSA-N	1	0	359.470	1.743	20	30		FDEDRO
Cn1cnc2c(c1=O)CCN(C(=O)NC[C@@H](c1cccs1)[NH+](C)C)C2	ZINC000330059858	537650847	/nfs/dbraw/zinc/65/08/47/537650847.db2.gz	LQZKVWGDUXXUJR-AWEZNQCLSA-N	1	0	361.471	1.417	20	30		FDEDRO
C[N@H+](CCO)C1CCN(C(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)CC1	ZINC000330061590	537651224	/nfs/dbraw/zinc/65/12/24/537651224.db2.gz	ABCQRZSHPDRVCA-PBHICJAKSA-N	1	0	357.520	1.344	20	30		FDEDRO
C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1C[C@@]2(CCOC2)OC(C)(C)C1	ZINC000330061704	537651462	/nfs/dbraw/zinc/65/14/62/537651462.db2.gz	AFKGDIGDBCDNAK-FZKQIMNGSA-N	1	0	353.463	1.222	20	30		FDEDRO
CC(=O)N1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1	ZINC000330225836	537652475	/nfs/dbraw/zinc/65/24/75/537652475.db2.gz	OJRWHOZHAVRUTE-MSOLQXFVSA-N	1	0	366.506	1.223	20	30		FDEDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1	ZINC000330674492	537659989	/nfs/dbraw/zinc/65/99/89/537659989.db2.gz	IIESAWAJZZNEMW-GFCCVEGCSA-N	1	0	374.894	1.262	20	30		FDEDRO
CCCc1nc(C)c(CNC(=[NH2+])NC2CCN(C(=O)OCC)CC2)o1	ZINC000291830000	537681597	/nfs/dbraw/zinc/68/15/97/537681597.db2.gz	DAYYQPPDDYUHQS-UHFFFAOYSA-N	1	0	351.451	1.961	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](CO)c1ccc(Br)cc1	ZINC000292049703	537701793	/nfs/dbraw/zinc/70/17/93/537701793.db2.gz	BDLWPJIGJPSMMH-MFKMUULPSA-N	1	0	370.247	1.472	20	30		FDEDRO
C#CCOc1ccc(C[NH2+]Cc2c(C)nn(C)c2N2CCOCC2)cc1	ZINC000295066121	537710136	/nfs/dbraw/zinc/71/01/36/537710136.db2.gz	QOSZQTLPFCTBKZ-UHFFFAOYSA-N	1	0	354.454	1.867	20	30		FDEDRO
C=CCN(CC=C)C(=O)C[N@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2	ZINC000295077611	537710487	/nfs/dbraw/zinc/71/04/87/537710487.db2.gz	DPTDYMKGXFHKFN-GOSISDBHSA-N	1	0	358.486	1.817	20	30		FDEDRO
CC1(C)OCC[C@@H]1[NH2+]CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000295319692	537712321	/nfs/dbraw/zinc/71/23/21/537712321.db2.gz	WHSHZRUIZKURMS-ROUUACIJSA-N	1	0	374.460	1.692	20	30		FDEDRO
C[C@@H](C[NH3+])C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1	ZINC000285720488	537750237	/nfs/dbraw/zinc/75/02/37/537750237.db2.gz	UFAFDXLAZVNFER-BPHPCYGNSA-N	1	0	366.487	1.813	20	30		FDEDRO
C=CCN=c1[nH]cc(C(=O)N2CCC[C@H](C[NH+]3CCN(C)CC3)C2)s1	ZINC000366474937	537765628	/nfs/dbraw/zinc/76/56/28/537765628.db2.gz	QJOJBXYOLFPIAA-OAHLLOKOSA-N	1	0	363.531	1.841	20	30		FDEDRO
COC(=O)C[C@]1([NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)CCOC1	ZINC000411547134	537768411	/nfs/dbraw/zinc/76/84/11/537768411.db2.gz	UPWJIOGZQYCYOP-QGZVFWFLSA-N	1	0	365.817	1.852	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)ccc1F	ZINC000375940441	537810115	/nfs/dbraw/zinc/81/01/15/537810115.db2.gz	GHNQEIADVVGMDC-WFASDCNBSA-N	1	0	367.446	1.114	20	30		FDEDRO
C=C[C@H]1CCCC[N@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000411655492	537813608	/nfs/dbraw/zinc/81/36/08/537813608.db2.gz	KOFKAGLDBPSQNH-INIZCTEOSA-N	1	0	365.499	1.423	20	30		FDEDRO
C#CCNC(=O)C1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1	ZINC000366710160	537828663	/nfs/dbraw/zinc/82/86/63/537828663.db2.gz	OTGNSPIXRGLBML-LJQANCHMSA-N	1	0	374.529	1.955	20	30		FDEDRO
C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)C2)CC1	ZINC000376092527	537833676	/nfs/dbraw/zinc/83/36/76/537833676.db2.gz	FSQHKFCPNNJSQJ-MOPGFXCFSA-N	1	0	365.481	1.525	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)NCCC[N@H+](C)C1CCCCC1	ZINC000409575614	537863559	/nfs/dbraw/zinc/86/35/59/537863559.db2.gz	LGQPUDYDDMYMBZ-UHFFFAOYSA-N	1	0	360.524	1.337	20	30		FDEDRO
C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)n1cnc(C#N)n1	ZINC000409806790	537876617	/nfs/dbraw/zinc/87/66/17/537876617.db2.gz	JBGRAPPPEWTLAV-BFYDXBDKSA-N	1	0	352.442	1.880	20	30		FDEDRO
COC(=O)[C@H]1CN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@H+](C)C1	ZINC000411923960	537904456	/nfs/dbraw/zinc/90/44/56/537904456.db2.gz	WVVFYHCMIONAAT-AEFFLSMTSA-N	1	0	370.453	1.090	20	30		FDEDRO
C[C@@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000367053323	537926518	/nfs/dbraw/zinc/92/65/18/537926518.db2.gz	PUVDJDAGCHVCTA-XLIONFOSSA-N	1	0	370.497	1.616	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@](C)(C[NH3+])C2CC2)cc1	ZINC000414886177	537931812	/nfs/dbraw/zinc/93/18/12/537931812.db2.gz	CLETYTDVICEKNW-KRWDZBQOSA-N	1	0	366.487	1.742	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1	ZINC000367135740	537948854	/nfs/dbraw/zinc/94/88/54/537948854.db2.gz	PAZDENUSDAWROB-SJLPKXTDSA-N	1	0	364.515	1.824	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C	ZINC000377295101	537958435	/nfs/dbraw/zinc/95/84/35/537958435.db2.gz	GHRSFEXIZZDYBE-JFIYKMOQSA-N	1	0	364.515	1.965	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H](CN(C)[C@H](C)C(=O)N(C)CCC#N)[C@@H]1c1cnn(C)c1	ZINC000372533387	537970477	/nfs/dbraw/zinc/97/04/77/537970477.db2.gz	RRVWNPDEWPDRSG-ZIFCJYIRSA-N	1	0	374.533	1.885	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)CC1	ZINC000368423675	537979315	/nfs/dbraw/zinc/97/93/15/537979315.db2.gz	XZOHHNDWDDWEOJ-INIZCTEOSA-N	1	0	365.474	1.084	20	30		FDEDRO
C#CCNC(=O)CN1CCCN(C(=O)Cc2c(C)oc3ccccc32)CC1	ZINC000368432807	537980719	/nfs/dbraw/zinc/98/07/19/537980719.db2.gz	FWBFGVQWMBSYFO-UHFFFAOYSA-N	1	0	367.449	1.567	20	30		FDEDRO
C=CCN1CC[C@@H](N(C)[C@H]2CCCN(c3ccccc3OC)C2=O)C1=O	ZINC000368531147	537982672	/nfs/dbraw/zinc/98/26/72/537982672.db2.gz	TXKOITORLNMEFZ-DLBZAZTESA-N	1	0	357.454	1.909	20	30		FDEDRO
C=CCN(C(=O)NCCN1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000368924474	537993426	/nfs/dbraw/zinc/99/34/26/537993426.db2.gz	LWWPZZXIRPAUSZ-HXUWFJFHSA-N	1	0	372.513	1.791	20	30		FDEDRO
N#CCOc1ccc(CNC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1	ZINC000368980232	537995225	/nfs/dbraw/zinc/99/52/25/537995225.db2.gz	CUEAVWBRDYGAMZ-ROUUACIJSA-N	1	0	358.442	1.330	20	30		FDEDRO
N#CCCn1cc(C[NH+]2CCC(S(N)(=O)=O)CC2)c(-c2ccccc2)n1	ZINC000369033875	537996769	/nfs/dbraw/zinc/99/67/69/537996769.db2.gz	ACASATIRBVBNGX-UHFFFAOYSA-N	1	0	373.482	1.717	20	30		FDEDRO
C=CCC[C@H](O)C[N@@H+]1CCC[C@H](n2ncc(N3CCOCC3)cc2=O)C1	ZINC000369033781	537997007	/nfs/dbraw/zinc/99/70/07/537997007.db2.gz	XTWXLGSMGQMRKJ-WMZOPIPTSA-N	1	0	362.474	1.044	20	30		FDEDRO
Cc1oc(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)c(C#N)c1C	ZINC000372693277	538002484	/nfs/dbraw/zinc/00/24/84/538002484.db2.gz	IZCDYKWQRIIZTR-SJORKVTESA-N	1	0	360.458	1.940	20	30		FDEDRO
C#CCOc1ccc(C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1	ZINC000372739456	538019927	/nfs/dbraw/zinc/01/99/27/538019927.db2.gz	KSBIXCFMJRPCEW-LJQANCHMSA-N	1	0	355.482	1.939	20	30		FDEDRO
CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000415432051	538045547	/nfs/dbraw/zinc/04/55/47/538045547.db2.gz	FLLWARWSGGCVSD-GFCCVEGCSA-N	1	0	353.220	1.359	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCO[C@@H](C[NH3+])C3)C2)c(F)c1	ZINC000417582657	538054205	/nfs/dbraw/zinc/05/42/05/538054205.db2.gz	VMYGDPCVUPWNQM-CABCVRRESA-N	1	0	361.421	1.035	20	30		FDEDRO
O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1	ZINC000415589824	538079733	/nfs/dbraw/zinc/07/97/33/538079733.db2.gz	JBQLRFLCCMPCSW-QFIPXVFZSA-N	1	0	374.444	1.632	20	30		FDEDRO
N#Cc1ccc(OC2CCN(C(=O)C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)CC2)cc1	ZINC000419867590	538124384	/nfs/dbraw/zinc/12/43/84/538124384.db2.gz	IEKFQQBSHGDCGJ-HZPDHXFCSA-N	1	0	370.453	1.314	20	30		FDEDRO
CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	ZINC000419947631	538160431	/nfs/dbraw/zinc/16/04/31/538160431.db2.gz	DAHMSGVBQDCOOE-KZNAEPCWSA-N	1	0	356.470	1.774	20	30		FDEDRO
C[NH+](C)CC[C@](C)(O)CNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000419997987	538181420	/nfs/dbraw/zinc/18/14/20/538181420.db2.gz	MFRYOFIEMVZVOV-KXBFYZLASA-N	1	0	362.449	1.343	20	30		FDEDRO
CC(C)(C)[NH2+]CCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O	ZINC000439495628	538183221	/nfs/dbraw/zinc/18/32/21/538183221.db2.gz	STMBKCFOQGIREB-HNNXBMFYSA-N	1	0	371.441	1.268	20	30		FDEDRO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1	ZINC000420101628	538219693	/nfs/dbraw/zinc/21/96/93/538219693.db2.gz	LZFXQJAFVOCOTO-LJQANCHMSA-N	1	0	374.441	1.615	20	30		FDEDRO
CCC(=O)N1CC[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1	ZINC000433335489	538225393	/nfs/dbraw/zinc/22/53/93/538225393.db2.gz	PSKPLXBZPJDYBZ-QGZVFWFLSA-N	1	0	352.442	1.959	20	30		FDEDRO
Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)[C@H]([NH3+])CCCC#N)c1C	ZINC000424071270	538230521	/nfs/dbraw/zinc/23/05/21/538230521.db2.gz	ZFSGTTPEXDDGSS-CQSZACIVSA-N	1	0	352.460	1.513	20	30		FDEDRO
C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC[C@@H]1[NH3+]	ZINC000440402215	538234292	/nfs/dbraw/zinc/23/42/92/538234292.db2.gz	CAGHMMBHNZDTEO-RNCFNFMXSA-N	1	0	358.261	1.679	20	30		FDEDRO
COc1ccc(CNC(=O)C2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)cc1	ZINC000424111529	538235163	/nfs/dbraw/zinc/23/51/63/538235163.db2.gz	HLAVYWZYLPOTDA-GOSISDBHSA-N	1	0	372.469	1.571	20	30		FDEDRO
N#Cc1ccc(C2=CCN(C(=O)C(=O)NCC3=CC[NH2+]CC3)CC2)cc1	ZINC000420137162	538235257	/nfs/dbraw/zinc/23/52/57/538235257.db2.gz	KLDDCLYPUQPZHC-UHFFFAOYSA-N	1	0	350.422	1.210	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)CCCc2ccccc2)CC1	ZINC000424112938	538237493	/nfs/dbraw/zinc/23/74/93/538237493.db2.gz	LHFMSWXHDLRXFK-GOSISDBHSA-N	1	0	356.470	1.701	20	30		FDEDRO
COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)[C@H]([NH3+])CCCC#N	ZINC000424123863	538241667	/nfs/dbraw/zinc/24/16/67/538241667.db2.gz	LRRGMGUYYRMIRO-GDBMZVCRSA-N	1	0	358.442	1.954	20	30		FDEDRO
COc1ccc(OC)c(CN2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)c1	ZINC000424133193	538243676	/nfs/dbraw/zinc/24/36/76/538243676.db2.gz	JFQRMUMUYKEFKG-KRWDZBQOSA-N	1	0	360.458	1.369	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NCc1cccc(C(=O)Nc2ccncc2)c1	ZINC000424150922	538247475	/nfs/dbraw/zinc/24/74/75/538247475.db2.gz	ZXFRZSVUMXYJGZ-KRWDZBQOSA-N	1	0	351.410	1.393	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)N1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F	ZINC000424177786	538249110	/nfs/dbraw/zinc/24/91/10/538249110.db2.gz	VFHBYLKGXPNPCL-KBPBESRZSA-N	1	0	368.359	1.726	20	30		FDEDRO
CS[C@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)C[C@H]1[NH+]1CCCC1	ZINC000445743293	538253787	/nfs/dbraw/zinc/25/37/87/538253787.db2.gz	QQMGFWFXYLBXAR-CABCVRRESA-N	1	0	357.545	1.912	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1Br	ZINC000424360663	538283672	/nfs/dbraw/zinc/28/36/72/538283672.db2.gz	GBJWHFOJNDIWOP-CHWSQXEVSA-N	1	0	358.261	1.869	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC2(C1)CC[NH2+]CC2	ZINC000440852142	538287277	/nfs/dbraw/zinc/28/72/77/538287277.db2.gz	WHTGYJKBNFTCFV-UHFFFAOYSA-N	1	0	350.400	1.231	20	30		FDEDRO
CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2cccnc2C#N)C1	ZINC000428382577	538291847	/nfs/dbraw/zinc/29/18/47/538291847.db2.gz	SGMYUBBILURCHT-AWEZNQCLSA-N	1	0	352.460	1.075	20	30		FDEDRO
C[N@H+](CC(=O)N(CCC#N)CCC#N)C1CCN(CC(F)(F)F)CC1	ZINC000452033406	538353628	/nfs/dbraw/zinc/35/36/28/538353628.db2.gz	CGIDAVIMOILKER-UHFFFAOYSA-N	1	0	359.396	1.601	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1	ZINC000421097381	538380958	/nfs/dbraw/zinc/38/09/58/538380958.db2.gz	DBVQYQVABUNWSX-DZGCQCFKSA-N	1	0	364.471	1.930	20	30		FDEDRO
C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)C[C@@H]1C[NH3+]	ZINC000423526563	538399193	/nfs/dbraw/zinc/39/91/93/538399193.db2.gz	LOUZXJMUBNKJKR-QXCFHYIPSA-N	1	0	368.481	1.728	20	30		FDEDRO
CN(CCO)S(=O)(=O)c1ccccc1C[NH2+]C1CCC(C)(C#N)CC1	ZINC000449140868	538420095	/nfs/dbraw/zinc/42/00/95/538420095.db2.gz	OMDNDHZZOQWWBS-UHFFFAOYSA-N	1	0	365.499	1.861	20	30		FDEDRO
C[N@H+](CCCCNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C1CC1	ZINC000457206600	538479334	/nfs/dbraw/zinc/47/93/34/538479334.db2.gz	SLYSPJRUSYRDSZ-UHFFFAOYSA-N	1	0	352.442	1.930	20	30		FDEDRO
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C1C[NH+](C2CCCCC2)C1	ZINC000457643145	538504395	/nfs/dbraw/zinc/50/43/95/538504395.db2.gz	VZZJGFVWYNKMBW-HNNXBMFYSA-N	1	0	368.485	1.650	20	30		FDEDRO
Cc1cc(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)ncc1C#N	ZINC000457672324	538507016	/nfs/dbraw/zinc/50/70/16/538507016.db2.gz	BYFJWZYJGRTJTB-MSOLQXFVSA-N	1	0	350.422	1.627	20	30		FDEDRO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NC[C@@H](C3CC3)[NH+](C)C)C2)n1	ZINC000471790123	538540120	/nfs/dbraw/zinc/54/01/20/538540120.db2.gz	UVDGPYLMNSTNHG-MSOLQXFVSA-N	1	0	355.486	1.935	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)C2CC2)cc1	ZINC000476828562	538564398	/nfs/dbraw/zinc/56/43/98/538564398.db2.gz	WLADFNMVIDYUKD-UHFFFAOYSA-N	1	0	351.472	1.317	20	30		FDEDRO
CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1cnccc1C#N	ZINC000487414094	538642977	/nfs/dbraw/zinc/64/29/77/538642977.db2.gz	WBOGVFLLJFSPES-FQEVSTJZSA-N	1	0	350.422	1.662	20	30		FDEDRO
CS[C@H]1CN(C(=O)CCc2c(C)nn(CCC#N)c2C)C[C@@H]1[NH+](C)C	ZINC000495565332	538672843	/nfs/dbraw/zinc/67/28/43/538672843.db2.gz	OCBFXRHYDNOMAI-IRXDYDNUSA-N	1	0	363.531	1.850	20	30		FDEDRO
C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H](SC)[C@@H]([NH+](C)C)C3)cc2C1=O	ZINC000495681987	538679153	/nfs/dbraw/zinc/67/91/53/538679153.db2.gz	MTRQQAAUZPYZNP-JKSUJKDBSA-N	1	0	373.478	1.586	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000483212144	538690089	/nfs/dbraw/zinc/69/00/89/538690089.db2.gz	QZVOAHWDGWMRIG-QGZVFWFLSA-N	1	0	368.437	1.524	20	30		FDEDRO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1	ZINC000483222435	538690861	/nfs/dbraw/zinc/69/08/61/538690861.db2.gz	QDXHTRPPSHHZFC-UHFFFAOYSA-N	1	0	358.442	1.374	20	30		FDEDRO
N#Cc1ccnc(C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)c1	ZINC000483693474	538728151	/nfs/dbraw/zinc/72/81/51/538728151.db2.gz	ABGAUCALUCQJBX-UHFFFAOYSA-N	1	0	363.421	1.903	20	30		FDEDRO
COc1c[nH+]ccc1N1CCN(C(=O)CNc2cccc(C#N)c2)CC1	ZINC000478485208	538746458	/nfs/dbraw/zinc/74/64/58/538746458.db2.gz	DBTMBGPUBHNQMR-UHFFFAOYSA-N	1	0	351.410	1.723	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[N@@H+](C2CCOCC2)C[C@H]1C	ZINC000488681037	538762075	/nfs/dbraw/zinc/76/20/75/538762075.db2.gz	ZOXJZDDGHUFTLW-GPMSIDNRSA-N	1	0	350.507	1.614	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000489175565	538794557	/nfs/dbraw/zinc/79/45/57/538794557.db2.gz	AGAREABZPOHFRY-UHFFFAOYSA-N	1	0	362.430	1.845	20	30		FDEDRO
Cn1nc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000476361672	538865687	/nfs/dbraw/zinc/86/56/87/538865687.db2.gz	BVETWUHDHUPXOW-UHFFFAOYSA-N	1	0	356.386	1.404	20	30		FDEDRO
CC(C)CN1CCO[C@H](C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000560966487	545639425	/nfs/dbraw/zinc/63/94/25/545639425.db2.gz	HNBFBCKICCQGPS-QGZVFWFLSA-N	1	0	365.499	1.278	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H](OC)C2(CC)CC)CC1	ZINC000561413079	545838805	/nfs/dbraw/zinc/83/88/05/545838805.db2.gz	CIDVACGFHSKCNS-IAGOWNOFSA-N	1	0	365.518	1.853	20	30		FDEDRO
C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCn2cnc(C#N)n2)CC1	ZINC000561661465	545921329	/nfs/dbraw/zinc/92/13/29/545921329.db2.gz	IGQVJGQVJLLGTH-CQSZACIVSA-N	1	0	368.445	1.070	20	30		FDEDRO
Cc1ncc2c(n1)CC[C@@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)C2	ZINC000562988806	546342849	/nfs/dbraw/zinc/34/28/49/546342849.db2.gz	SWQRLVCLKNNRBL-MSOLQXFVSA-N	1	0	352.438	1.738	20	30		FDEDRO
COc1cc(C[NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)ccc1C#N	ZINC000563012318	546354401	/nfs/dbraw/zinc/35/44/01/546354401.db2.gz	SIDHEFIOMZBJDX-OAHLLOKOSA-N	1	0	365.389	1.314	20	30		FDEDRO
N#Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)n1	ZINC000563099823	546403065	/nfs/dbraw/zinc/40/30/65/546403065.db2.gz	UCDYXXSGPIRFJH-AEFFLSMTSA-N	1	0	365.437	1.958	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[NH2+]C[C@@H]2CCC)c1	ZINC000563109944	546409844	/nfs/dbraw/zinc/40/98/44/546409844.db2.gz	PDTVZXBMXNSKFF-HNNXBMFYSA-N	1	0	351.472	1.365	20	30		FDEDRO
C[N@H+](CCCc1[nH]nc(N)c1C#N)[C@@H]1CCN(c2ccc(F)cc2)C1=O	ZINC000563189562	546438351	/nfs/dbraw/zinc/43/83/51/546438351.db2.gz	SKIYTYQWXYPVOB-MRXNPFEDSA-N	1	0	356.405	1.673	20	30		FDEDRO
CC(C)[NH+](CCNC(=O)N1CCN(c2cccc(C#N)n2)CC1)C(C)C	ZINC000564376503	546896421	/nfs/dbraw/zinc/89/64/21/546896421.db2.gz	GGUXFPYXUIZCFT-UHFFFAOYSA-N	1	0	358.490	1.904	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)cc1	ZINC000564739354	547021673	/nfs/dbraw/zinc/02/16/73/547021673.db2.gz	GNSOZXXYSITKMA-FUHWJXTLSA-N	1	0	359.426	1.954	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1	ZINC000565222827	547261816	/nfs/dbraw/zinc/26/18/16/547261816.db2.gz	QXBBAJKGEXKCOE-SFHVURJKSA-N	1	0	364.534	1.478	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H](CO)Cc2ccccc2)cc1	ZINC000565422492	547344544	/nfs/dbraw/zinc/34/45/44/547344544.db2.gz	QWRKCBHDYQEKEQ-SFHVURJKSA-N	1	0	358.463	1.773	20	30		FDEDRO
Cc1nc2sccn2c(=O)c1CC[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000565530601	547387282	/nfs/dbraw/zinc/38/72/82/547387282.db2.gz	UAKCCZPNZHEDJA-UHFFFAOYSA-N	1	0	371.470	1.349	20	30		FDEDRO
COc1cccc2c1C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C2	ZINC000566122662	547614972	/nfs/dbraw/zinc/61/49/72/547614972.db2.gz	RPTNXIYDBXRFKP-HNNXBMFYSA-N	1	0	357.435	1.493	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C(C)(C)C	ZINC000566414053	547746026	/nfs/dbraw/zinc/74/60/26/547746026.db2.gz	XHSZXFRHGJJMFN-OAHLLOKOSA-N	1	0	358.486	1.999	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+]CCCN3C(=O)COc4ccccc43)cnc12	ZINC000567502317	548143102	/nfs/dbraw/zinc/14/31/02/548143102.db2.gz	GGIDIAYGEGFPAT-UHFFFAOYSA-N	1	0	362.393	1.506	20	30		FDEDRO
N#CCCC[C@@H]([NH3+])C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1	ZINC000567608905	548179732	/nfs/dbraw/zinc/17/97/32/548179732.db2.gz	UMFJJBPHQDQYRQ-CYBMUJFWSA-N	1	0	374.470	1.463	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC(=O)N(C3CCCCC3)C2)cc1	ZINC000567687408	548213965	/nfs/dbraw/zinc/21/39/65/548213965.db2.gz	HECVYQJHUMOAGF-SJLPKXTDSA-N	1	0	357.454	1.821	20	30		FDEDRO
C=CCCCCCNC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000568241779	548455465	/nfs/dbraw/zinc/45/54/65/548455465.db2.gz	YYTVAIXCLIEKOM-MSOLQXFVSA-N	1	0	364.534	1.333	20	30		FDEDRO
CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCc2ccc(CC#N)cc2)C1	ZINC000568509532	548567114	/nfs/dbraw/zinc/56/71/14/548567114.db2.gz	NKTMXBFGEIPHTM-GOSISDBHSA-N	1	0	356.470	1.463	20	30		FDEDRO
C[C@@H]1CN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000568753336	548666171	/nfs/dbraw/zinc/66/61/71/548666171.db2.gz	OLDIYMBUMBVTJW-QAPCUYQASA-N	1	0	357.458	1.924	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CCc2nnc3n2CCCCC3)cc1	ZINC000568871361	548713752	/nfs/dbraw/zinc/71/37/52/548713752.db2.gz	NOKLTUCIYRXOMZ-UHFFFAOYSA-N	1	0	373.482	1.482	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1	ZINC000568884355	548720142	/nfs/dbraw/zinc/72/01/42/548720142.db2.gz	MKBQZASEZGLZAU-UHFFFAOYSA-N	1	0	354.454	1.361	20	30		FDEDRO
CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2ccc(CC#N)cc2)C1	ZINC000568999616	548763453	/nfs/dbraw/zinc/76/34/53/548763453.db2.gz	OEISDXWYNLCEAL-GOSISDBHSA-N	1	0	356.470	1.559	20	30		FDEDRO
N#Cc1cccc(N2CCN(C(=O)NCC3CC[NH+](C4CC4)CC3)CC2)n1	ZINC000569103986	548797447	/nfs/dbraw/zinc/79/74/47/548797447.db2.gz	UOAHICCPFUMDKL-UHFFFAOYSA-N	1	0	368.485	1.659	20	30		FDEDRO
N#Cc1cc2c(nc1NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)CCOC2	ZINC000569899368	549085670	/nfs/dbraw/zinc/08/56/70/549085670.db2.gz	GYKSNEFMUKLZPI-MOPGFXCFSA-N	1	0	364.449	2.073	20	30		FDEDRO
CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000570325439	549239017	/nfs/dbraw/zinc/23/90/17/549239017.db2.gz	JPJFOQSSNJCQTJ-CZUORRHYSA-N	1	0	364.471	1.010	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000570341689	549245450	/nfs/dbraw/zinc/24/54/50/549245450.db2.gz	NJOZUBLHPZHNFI-GOSISDBHSA-N	1	0	356.470	1.488	20	30		FDEDRO
C[C@@H](NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CCC[NH2+]C1	ZINC000570786053	549409653	/nfs/dbraw/zinc/40/96/53/549409653.db2.gz	WSUOQPDSBYITPH-APWZRJJASA-N	1	0	355.486	1.774	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CC(=O)N(c3ccccc3)C2)cc1	ZINC000570794584	549413154	/nfs/dbraw/zinc/41/31/54/549413154.db2.gz	ZBSJIMWPZQGUMP-HKUYNNGSSA-N	1	0	365.433	1.887	20	30		FDEDRO
COC(=O)c1ccc(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)cc1OC	ZINC000570836731	549430858	/nfs/dbraw/zinc/43/08/58/549430858.db2.gz	KKBFMKIOLMXBTL-INIZCTEOSA-N	1	0	370.405	1.883	20	30		FDEDRO
C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CC(=O)N(C(C)C)C2)c(OC)c1	ZINC000570920300	549459792	/nfs/dbraw/zinc/45/97/92/549459792.db2.gz	GGSKVSIOWCTKJE-DLBZAZTESA-N	1	0	362.470	1.762	20	30		FDEDRO
N#CC1CCN(C(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1	ZINC000570958582	549475980	/nfs/dbraw/zinc/47/59/80/549475980.db2.gz	VSFCAFNFQXPAHQ-UHFFFAOYSA-N	1	0	355.442	1.176	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000571156632	549545238	/nfs/dbraw/zinc/54/52/38/549545238.db2.gz	GSMLMASMCHXNJW-QGTPRVQTSA-N	1	0	366.483	1.702	20	30		FDEDRO
CCCN(C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H]1CC[NH2+]C1	ZINC000571387821	549626453	/nfs/dbraw/zinc/62/64/53/549626453.db2.gz	HOYDBHSYOQIJSJ-ZWKOTPCHSA-N	1	0	369.469	1.443	20	30		FDEDRO
N#Cc1cnn2c1NC[C@@H](C[NH2+][C@@H]1CCN(C(=O)C3CCCCC3)C1)C2	ZINC000571585448	549698735	/nfs/dbraw/zinc/69/87/35/549698735.db2.gz	LOFKIRBKZFBDRE-RHSMWYFYSA-N	1	0	356.474	1.567	20	30		FDEDRO
N#Cc1cccc(-c2cc(C(=O)NC[C@]3(O)C[NH+]4CCC3CC4)on2)c1	ZINC000571775097	549760542	/nfs/dbraw/zinc/76/05/42/549760542.db2.gz	PNXYLCPBHHAGQY-IBGZPJMESA-N	1	0	352.394	1.400	20	30		FDEDRO
CSc1ccc([C@@H](CNC(=O)CNc2ccc(C#N)cn2)[NH+](C)C)cc1	ZINC000571834784	549777281	/nfs/dbraw/zinc/77/72/81/549777281.db2.gz	DAMKERDAFMLTIJ-QGZVFWFLSA-N	1	0	369.494	2.506	20	30		FDEDRO
C[C@H]([NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(C#N)cc1	ZINC000571836755	549778107	/nfs/dbraw/zinc/77/81/07/549778107.db2.gz	LCCRQGVHRZUHKM-WMLDXEAASA-N	1	0	350.488	1.870	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C	ZINC000572196445	549862901	/nfs/dbraw/zinc/86/29/01/549862901.db2.gz	YSBSRCGFYYCTIW-SQNIBIBYSA-N	1	0	365.518	1.711	20	30		FDEDRO
C=CCN(CC1CCCCC1)C(=O)C(=O)N1CCC([NH2+]CCOC)CC1	ZINC000572490714	549926787	/nfs/dbraw/zinc/92/67/87/549926787.db2.gz	NLEKFZFQPPGZBQ-UHFFFAOYSA-N	1	0	365.518	1.808	20	30		FDEDRO
N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)n2)c(F)c1	ZINC000572734350	549983556	/nfs/dbraw/zinc/98/35/56/549983556.db2.gz	JSTCYBYLAUSZLC-DZGCQCFKSA-N	1	0	354.389	2.099	20	30		FDEDRO
COC[C@H](C)OC[C@H](O)C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000573239081	550095129	/nfs/dbraw/zinc/09/51/29/550095129.db2.gz	SAPCTEALNHEYST-QGTPRVQTSA-N	1	0	361.442	1.056	20	30		FDEDRO
C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2cccc(C#N)n2)C1	ZINC000573366980	550121386	/nfs/dbraw/zinc/12/13/86/550121386.db2.gz	ALAHCTJMZFGIHX-KBPBESRZSA-N	1	0	357.458	1.764	20	30		FDEDRO
C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(CC#N)cc2)C1	ZINC000573368877	550122240	/nfs/dbraw/zinc/12/22/40/550122240.db2.gz	ZVZFAPMCGBRPKU-IBGZPJMESA-N	1	0	368.481	1.559	20	30		FDEDRO
Cc1oc(NC(=O)CN2CCC(CO)([NH2+]CC3CC3)CC2)c(C#N)c1C	ZINC000573448828	550140279	/nfs/dbraw/zinc/14/02/79/550140279.db2.gz	KPNJRWQQPHDWOX-UHFFFAOYSA-N	1	0	360.458	1.533	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000573656075	550185221	/nfs/dbraw/zinc/18/52/21/550185221.db2.gz	ZWODCXQQNHLAEI-OAGGEKHMSA-N	1	0	360.483	1.390	20	30		FDEDRO
CC1(C)C(=O)N[C@@H]1C1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000574234689	550280592	/nfs/dbraw/zinc/28/05/92/550280592.db2.gz	QVEWCAWFTWLHQM-FUHWJXTLSA-N	1	0	357.454	1.535	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+]Cc2ccccc2N2CCOCC2)cc1	ZINC000574565068	550334452	/nfs/dbraw/zinc/33/44/52/550334452.db2.gz	GDXUUUZDRBTEDO-LJQANCHMSA-N	1	0	367.449	1.924	20	30		FDEDRO
CS(=O)(=O)CCCCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000574686001	550354231	/nfs/dbraw/zinc/35/42/31/550354231.db2.gz	IREVXFQJUMCWJX-UHFFFAOYSA-N	1	0	358.485	1.136	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1	ZINC000575029291	550412007	/nfs/dbraw/zinc/41/20/07/550412007.db2.gz	AHZQYTNECXONMB-ZWKOTPCHSA-N	1	0	365.518	1.712	20	30		FDEDRO
N#CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)cc1	ZINC000575378034	550459286	/nfs/dbraw/zinc/45/92/86/550459286.db2.gz	YRIKNLQYSZLRJK-ZFWWWQNUSA-N	1	0	371.359	1.245	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)c2nnn(Cc3noc(C)n3)c2C)CC1	ZINC000575636864	550468345	/nfs/dbraw/zinc/46/83/45/550468345.db2.gz	PXMYYXPNQJDMAS-UHFFFAOYSA-N	1	0	359.434	1.097	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O	ZINC000575743024	550470948	/nfs/dbraw/zinc/47/09/48/550470948.db2.gz	QNZRFGZTBWFPCZ-QZTJIDSGSA-N	1	0	370.453	1.283	20	30		FDEDRO
C=CCCOCCNC(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1	ZINC000575900708	550489095	/nfs/dbraw/zinc/48/90/95/550489095.db2.gz	JKSDISAHAIPHSK-UHFFFAOYSA-N	1	0	351.491	1.420	20	30		FDEDRO
CN(C)[C@]1(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCSC1	ZINC000575916365	550490247	/nfs/dbraw/zinc/49/02/47/550490247.db2.gz	DVKKEYZUTYKAPP-INIZCTEOSA-N	1	0	353.513	1.359	20	30		FDEDRO
CN(C)[C@@]1(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCSC1	ZINC000575916366	550490422	/nfs/dbraw/zinc/49/04/22/550490422.db2.gz	DVKKEYZUTYKAPP-MRXNPFEDSA-N	1	0	353.513	1.359	20	30		FDEDRO
C[C@H]1[C@H](NC(=O)C(=O)Nc2cccc(C#N)n2)CC[N@@H+]1Cc1ccccc1	ZINC000576582070	550564867	/nfs/dbraw/zinc/56/48/67/550564867.db2.gz	XENAJYGZCZTSKE-WMLDXEAASA-N	1	0	363.421	1.671	20	30		FDEDRO
N#Cc1cnn2cc(C[NH2+][C@H]3CCN(C(=O)Nc4ccccc4)C3)cnc12	ZINC000576943695	550602610	/nfs/dbraw/zinc/60/26/10/550602610.db2.gz	RVGSUNCRAAHFAU-KRWDZBQOSA-N	1	0	361.409	1.997	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](CCO)C2CCOCC2)cc1	ZINC000577433863	550655807	/nfs/dbraw/zinc/65/58/07/550655807.db2.gz	SGTPYTUDVJROPK-KRWDZBQOSA-N	1	0	352.456	1.099	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](CC)C(=O)N1CCOCC1	ZINC000577722091	550687195	/nfs/dbraw/zinc/68/71/95/550687195.db2.gz	GHFCYFURGOEJGI-MSOLQXFVSA-N	1	0	362.470	1.382	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)CNS(=O)(=O)c2cccc(F)c2)CC1	ZINC000577991026	550716252	/nfs/dbraw/zinc/71/62/52/550716252.db2.gz	MBKXGDLGUPCKGQ-UHFFFAOYSA-N	1	0	369.462	1.261	20	30		FDEDRO
CC[N@H+](C)C[C@@H](O)CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000578156528	550734172	/nfs/dbraw/zinc/73/41/72/550734172.db2.gz	HSKFGGBXSIWZPH-CQSZACIVSA-N	1	0	359.430	1.241	20	30		FDEDRO
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC2CCC1(C[NH3+])CC2	ZINC000578247809	550744572	/nfs/dbraw/zinc/74/45/72/550744572.db2.gz	JVJCDSAZKUWQTH-UHFFFAOYSA-N	1	0	350.400	1.358	20	30		FDEDRO
N#Cc1ncn(CC[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)n1	ZINC000578642383	550786296	/nfs/dbraw/zinc/78/62/96/550786296.db2.gz	DAJNDCXQIYUISV-NSHDSACASA-N	1	0	356.213	1.486	20	30		FDEDRO
CO[C@]1(C)C[C@H](N(C)CCS(=O)(=O)c2ccc(C#N)cn2)C1(C)C	ZINC000578657828	550787932	/nfs/dbraw/zinc/78/79/32/550787932.db2.gz	AIKJPPKORZSCOD-WMLDXEAASA-N	1	0	351.472	1.862	20	30		FDEDRO
C=CCN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000578904870	550814107	/nfs/dbraw/zinc/81/41/07/550814107.db2.gz	SWINYPLPGMPEIF-QGZVFWFLSA-N	1	0	350.484	1.606	20	30		FDEDRO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1	ZINC000579809574	550911901	/nfs/dbraw/zinc/91/19/01/550911901.db2.gz	OOBCQGXTCKJGLA-SFHVURJKSA-N	1	0	371.485	1.607	20	30		FDEDRO
C[NH2+]C[C@H]1CCCN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000580052883	550937612	/nfs/dbraw/zinc/93/76/12/550937612.db2.gz	CASIPIYTZVWBSQ-IAGOWNOFSA-N	1	0	355.442	1.053	20	30		FDEDRO
CC[N@@H+]1CCC[C@@H](CNC(=O)C2CCN(c3oc(C)nc3C#N)CC2)C1	ZINC000580348954	550970072	/nfs/dbraw/zinc/97/00/72/550970072.db2.gz	LKHLZUYMSYLISA-HNNXBMFYSA-N	1	0	359.474	1.919	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1	ZINC000580526249	550991170	/nfs/dbraw/zinc/99/11/70/550991170.db2.gz	TTYPPGIJCDDVBV-QRVBRYPASA-N	1	0	359.470	1.786	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)CC1	ZINC000580559515	550995128	/nfs/dbraw/zinc/99/51/28/550995128.db2.gz	KHNNJHKAVNGLLU-QYZOEREBSA-N	1	0	362.518	1.570	20	30		FDEDRO
C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC(C#N)CC2)C[N@@H+]1Cc1ccccc1	ZINC000580914507	551032344	/nfs/dbraw/zinc/03/23/44/551032344.db2.gz	ZLQRCRSQEISGLX-MAUKXSAKSA-N	1	0	354.454	1.528	20	30		FDEDRO
C[C@@H]1COCCN1C1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000580930617	551033694	/nfs/dbraw/zinc/03/36/94/551033694.db2.gz	QSKDFFNUTXVANL-VQIMIIECSA-N	1	0	359.470	1.483	20	30		FDEDRO
C[C@@H]1CN(C[C@H](O)C[N@H+](C)CCOCc2ccc(C#N)cc2)C[C@@H](C)O1	ZINC000580975867	551039148	/nfs/dbraw/zinc/03/91/48/551039148.db2.gz	MDRVXSFNLWVELA-MBOZVWFJSA-N	1	0	361.486	1.477	20	30		FDEDRO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](CC3CC3)C3CCC3)CC2)o1	ZINC000581046951	551046098	/nfs/dbraw/zinc/04/60/98/551046098.db2.gz	GZDOBJWEHOGQGR-UHFFFAOYSA-N	1	0	357.458	1.768	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)ncc1C#N	ZINC000581616658	551112441	/nfs/dbraw/zinc/11/24/41/551112441.db2.gz	UUMNPNXZQXJNEZ-INIZCTEOSA-N	1	0	351.410	1.619	20	30		FDEDRO
C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)C1(S(C)(=O)=O)CC1	ZINC000581662958	551118733	/nfs/dbraw/zinc/11/87/33/551118733.db2.gz	ILSMPSQCUZOHSO-GOEBONIOSA-N	1	0	353.484	1.710	20	30		FDEDRO
C=CCC1(CNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCCC1	ZINC000582231466	551193722	/nfs/dbraw/zinc/19/37/22/551193722.db2.gz	XXMOKIBRLJMWAU-QGZVFWFLSA-N	1	0	362.518	1.976	20	30		FDEDRO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1	ZINC000582594486	551245693	/nfs/dbraw/zinc/24/56/93/551245693.db2.gz	YMQQOWWKLDMHIK-GASCZTMLSA-N	1	0	357.458	1.511	20	30		FDEDRO
N#Cc1cccc(COc2cccc(C[N@@H+]3C[C@@H]4C(=O)NC(=O)[C@@H]4C3)c2)c1	ZINC000582945228	551283858	/nfs/dbraw/zinc/28/38/58/551283858.db2.gz	KJHDSVUVZSHTFJ-KDURUIRLSA-N	1	0	361.401	1.842	20	30		FDEDRO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCC(CO)([NH2+]CC2CC2)CC1	ZINC000583148908	551310597	/nfs/dbraw/zinc/31/05/97/551310597.db2.gz	TXRMINQQLLMVKP-MAUKXSAKSA-N	1	0	350.507	1.256	20	30		FDEDRO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCc2nncn2C1	ZINC000583335928	551336959	/nfs/dbraw/zinc/33/69/59/551336959.db2.gz	MFTXGLTXWPDJMQ-QGZVFWFLSA-N	1	0	352.442	1.303	20	30		FDEDRO
CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000583626571	551378708	/nfs/dbraw/zinc/37/87/08/551378708.db2.gz	WYYMLDXPPBXUNP-KURKYZTESA-N	1	0	359.470	1.971	20	30		FDEDRO
COC[C@@H](C)OC[C@@H](O)C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000583929337	551421919	/nfs/dbraw/zinc/42/19/19/551421919.db2.gz	CQDZQDDLCUHQCQ-YKWDICOMSA-N	1	0	363.458	1.645	20	30		FDEDRO
N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@H](O)CCc2ccccc2)c1	ZINC000584232208	551468021	/nfs/dbraw/zinc/46/80/21/551468021.db2.gz	JQRXENCOQAOEDL-GOSISDBHSA-N	1	0	358.463	1.915	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2	ZINC000584716697	551535426	/nfs/dbraw/zinc/53/54/26/551535426.db2.gz	LSPOAERBXHMRCI-YRNRMSPPSA-N	1	0	360.454	1.882	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2	ZINC000584716695	551535541	/nfs/dbraw/zinc/53/55/41/551535541.db2.gz	LSPOAERBXHMRCI-GUXCAODWSA-N	1	0	360.454	1.882	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)C1	ZINC000585690413	551582157	/nfs/dbraw/zinc/58/21/57/551582157.db2.gz	ZRLDWIIUMANWLD-QAPCUYQASA-N	1	0	372.469	1.208	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)c(F)c1	ZINC000585710636	551585418	/nfs/dbraw/zinc/58/54/18/551585418.db2.gz	UTUAZFROTHMQGG-UHFFFAOYSA-N	1	0	372.444	1.837	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccc(C#N)cc1	ZINC000585713197	551586353	/nfs/dbraw/zinc/58/63/53/551586353.db2.gz	JNXAKIPJYZMXHI-CRAIPNDOSA-N	1	0	354.454	1.822	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)cc1	ZINC000585716893	551586689	/nfs/dbraw/zinc/58/66/89/551586689.db2.gz	AWOPFJHWNSACRB-RBUKOAKNSA-N	1	0	359.470	1.485	20	30		FDEDRO
C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1	ZINC000585727561	551588306	/nfs/dbraw/zinc/58/83/06/551588306.db2.gz	WDWOBCOGRPGANB-DLBZAZTESA-N	1	0	372.517	1.363	20	30		FDEDRO
Cc1occc1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000585779991	551599216	/nfs/dbraw/zinc/59/92/16/551599216.db2.gz	HIOFUILHAXIYAS-UHFFFAOYSA-N	1	0	368.437	1.666	20	30		FDEDRO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1	ZINC000586851058	551625830	/nfs/dbraw/zinc/62/58/30/551625830.db2.gz	KKOHBPGKPQFRBK-MRXNPFEDSA-N	1	0	368.481	1.919	20	30		FDEDRO
CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1	ZINC000586864524	551627912	/nfs/dbraw/zinc/62/79/12/551627912.db2.gz	XNLGYDRTTWSGBH-UHFFFAOYSA-N	1	0	360.433	1.646	20	30		FDEDRO
C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC[C@@H]21	ZINC000586864974	551628149	/nfs/dbraw/zinc/62/81/49/551628149.db2.gz	VGXIGMTXSASAPG-WBVHZDCISA-N	1	0	358.417	1.256	20	30		FDEDRO
CN(CCN(CC[NH+]1CCCC1)C(=O)C(C)(C)C#N)C(=O)C(C)(C)C#N	ZINC000588165224	551654493	/nfs/dbraw/zinc/65/44/93/551654493.db2.gz	IPHGDIWLLOZIDJ-UHFFFAOYSA-N	1	0	361.490	1.469	20	30		FDEDRO
C[NH+]1CCN(C[C@@H](NC(=O)c2cc(O)cc(C#N)c2)c2ccccc2)CC1	ZINC000589178289	551715575	/nfs/dbraw/zinc/71/55/75/551715575.db2.gz	VHNBMHKZVQODJG-HXUWFJFHSA-N	1	0	364.449	1.982	20	30		FDEDRO
COc1cc(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccc1C#N	ZINC000589626289	551739151	/nfs/dbraw/zinc/73/91/51/551739151.db2.gz	CIYPTLGATHYXHC-ZWKOTPCHSA-N	1	0	372.469	1.744	20	30		FDEDRO
CC[N@@H+]1CC[C@H]2OCCN(C[C@H](O)COc3ccc(CC#N)cc3)[C@H]2C1	ZINC000590190457	551764097	/nfs/dbraw/zinc/76/40/97/551764097.db2.gz	FUJZYDBKXMRQHP-YSIASYRMSA-N	1	0	359.470	1.287	20	30		FDEDRO
N#CC1(CC(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CC1	ZINC000590237872	551766724	/nfs/dbraw/zinc/76/67/24/551766724.db2.gz	KJFUHKLMEDVAKA-UHFFFAOYSA-N	1	0	354.454	1.822	20	30		FDEDRO
N#CCCN(C(=O)CCC(=O)N[C@H](CO)C[NH+]1CCCC1)c1ccccc1	ZINC000590372211	551776748	/nfs/dbraw/zinc/77/67/48/551776748.db2.gz	YUTIEXZLCXSFJF-KRWDZBQOSA-N	1	0	372.469	1.286	20	30		FDEDRO
CC(C)C[C@H](NC(=O)C1(C#N)CCOCC1)C(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000590397861	551779874	/nfs/dbraw/zinc/77/98/74/551779874.db2.gz	HUAFTOHVUXIZRQ-HOTGVXAUSA-N	1	0	364.490	1.000	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCOC[C@@H]1[C@H]1CCC[N@H+]1C	ZINC000590401500	551780260	/nfs/dbraw/zinc/78/02/60/551780260.db2.gz	LTLZCQWGVKGVEH-RTBURBONSA-N	1	0	373.501	1.668	20	30		FDEDRO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCOC[C@H]1[C@@H]1CCC[N@H+]1C	ZINC000590401498	551780477	/nfs/dbraw/zinc/78/04/77/551780477.db2.gz	LTLZCQWGVKGVEH-OALUTQOASA-N	1	0	373.501	1.668	20	30		FDEDRO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21	ZINC000590442412	551784823	/nfs/dbraw/zinc/78/48/23/551784823.db2.gz	GMLCPXSFVDWOMO-WMLDXEAASA-N	1	0	352.442	1.313	20	30		FDEDRO
N#Cc1ccc(CNC(=O)CN2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1	ZINC000590600455	551797069	/nfs/dbraw/zinc/79/70/69/551797069.db2.gz	PDKGVTAFGLWXDQ-LJQANCHMSA-N	1	0	356.470	1.361	20	30		FDEDRO
C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1	ZINC000590631874	551800345	/nfs/dbraw/zinc/80/03/45/551800345.db2.gz	CBEGJOAJDQFSCD-KBPBESRZSA-N	1	0	360.845	1.775	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)C[C@@H]21	ZINC000590762578	551814211	/nfs/dbraw/zinc/81/42/11/551814211.db2.gz	PSYCQBMFZUUYAP-YPMHNXCESA-N	1	0	359.373	1.902	20	30		FDEDRO
C[C@@H]1CN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[C@H](C)[N@H+]1C	ZINC000590801978	551818630	/nfs/dbraw/zinc/81/86/30/551818630.db2.gz	MUWDZZQDVQEOMO-GASCZTMLSA-N	1	0	356.474	1.656	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)C[C@@H]21	ZINC000590802006	551818652	/nfs/dbraw/zinc/81/86/52/551818652.db2.gz	QAKBTWLQPGPXHN-WBVHZDCISA-N	1	0	354.458	1.268	20	30		FDEDRO
CC[C@H]1C[N@H+](C)CCN1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000590920628	551826717	/nfs/dbraw/zinc/82/67/17/551826717.db2.gz	XEJCUYVGRJSOBI-KRWDZBQOSA-N	1	0	356.474	1.658	20	30		FDEDRO
C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CCOC[C@H]3CO)sc2C1	ZINC000591033018	551837739	/nfs/dbraw/zinc/83/77/39/551837739.db2.gz	ULXCWZUBUPGOEL-QWHCGFSZSA-N	1	0	363.483	1.766	20	30		FDEDRO
CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)C2)CC1	ZINC000591062159	551840829	/nfs/dbraw/zinc/84/08/29/551840829.db2.gz	MQHYDFMVGFWOQM-YZGWKJHDSA-N	1	0	352.482	1.946	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@H]2C(=O)N[C@H](CO)C[NH+]2CCCCC2)cc1	ZINC000591219343	551851481	/nfs/dbraw/zinc/85/14/81/551851481.db2.gz	ZFCPUSNPLGSTII-HKUYNNGSSA-N	1	0	356.470	1.490	20	30		FDEDRO
C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCO1	ZINC000591299331	551857999	/nfs/dbraw/zinc/85/79/99/551857999.db2.gz	GNUISLOJLISTJP-NOZJJQNGSA-N	1	0	370.331	1.090	20	30		FDEDRO
CC[C@H]1CN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC[C@@H]1[NH3+]	ZINC000591303922	551859201	/nfs/dbraw/zinc/85/92/01/551859201.db2.gz	GNJXHQPEHGLODX-YOEHRIQHSA-N	1	0	358.442	1.893	20	30		FDEDRO
CN(CCCc1[nH]nc(N)c1C#N)C(=O)C[C@H](c1ccccc1)[NH+](C)C	ZINC000591319689	551861040	/nfs/dbraw/zinc/86/10/40/551861040.db2.gz	VFBVQPWYAOVLSZ-QGZVFWFLSA-N	1	0	354.458	1.948	20	30		FDEDRO
C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000591350516	551864919	/nfs/dbraw/zinc/86/49/19/551864919.db2.gz	HCJLSYAHJHOEHY-WMLDXEAASA-N	1	0	356.474	1.833	20	30		FDEDRO
N#Cc1ccc(CNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])c(F)c1	ZINC000591351109	551865034	/nfs/dbraw/zinc/86/50/34/551865034.db2.gz	YZENIEDSXJXWSF-OAHLLOKOSA-N	1	0	361.421	1.226	20	30		FDEDRO
C[C@H](NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)[C@H]1CCC[NH2+]C1	ZINC000591359217	551865984	/nfs/dbraw/zinc/86/59/84/551865984.db2.gz	VTBOHGQGGPFIAK-ZFWWWQNUSA-N	1	0	372.473	1.643	20	30		FDEDRO
N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NC/C=C/C[NH3+])CC1	ZINC000591360929	551866183	/nfs/dbraw/zinc/86/61/83/551866183.db2.gz	LPVHSVZURARLNE-OWOJBTEDSA-N	1	0	356.386	1.153	20	30		FDEDRO
CNC(=O)c1cccc(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)c1	ZINC000591725235	551903519	/nfs/dbraw/zinc/90/35/19/551903519.db2.gz	LARDODJIAIGFPI-SFHVURJKSA-N	1	0	353.422	1.642	20	30		FDEDRO
COc1cccc2c1OC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C2	ZINC000591733819	551904709	/nfs/dbraw/zinc/90/47/09/551904709.db2.gz	PFNAPLSFRKMQFX-HNNXBMFYSA-N	1	0	373.434	1.329	20	30		FDEDRO
COC(=O)C1CCC([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000591736871	551904775	/nfs/dbraw/zinc/90/47/75/551904775.db2.gz	WJCSFCUTBVGIET-UHFFFAOYSA-N	1	0	350.440	1.653	20	30		FDEDRO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)cc1	ZINC000591736733	551904807	/nfs/dbraw/zinc/90/48/07/551904807.db2.gz	KZYKPMLLWUYIQU-TZMCWYRMSA-N	1	0	357.332	1.051	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCN(c3ccccn3)C2)cc1	ZINC000591756886	551906213	/nfs/dbraw/zinc/90/62/13/551906213.db2.gz	ANPBVVBGKJTATE-MRXNPFEDSA-N	1	0	356.451	1.595	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([NH2+]C[C@H](O)COC3CCOCC3)C2=O)cc1	ZINC000591758778	551906744	/nfs/dbraw/zinc/90/67/44/551906744.db2.gz	KFPMEXIWSUDJNN-PKOBYXMFSA-N	1	0	373.453	1.200	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@H](O)C[C@H](C(=O)OC)C1)C(C)C	ZINC000591910449	551915689	/nfs/dbraw/zinc/91/56/89/551915689.db2.gz	CYVIYCCGJAHCJB-GVDBMIGSSA-N	1	0	367.490	1.250	20	30		FDEDRO
COC1CC[NH+](C2(CNC(=O)N3CC[C@@](O)(CC#N)C3)CCCC2)CC1	ZINC000591951478	551919599	/nfs/dbraw/zinc/91/95/99/551919599.db2.gz	GYGPAOFQVNAPMS-IBGZPJMESA-N	1	0	364.490	1.470	20	30		FDEDRO
N#CC[C@@]1(O)CCN(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C1	ZINC000591953592	551919773	/nfs/dbraw/zinc/91/97/73/551919773.db2.gz	CVIRUVAKEWSVTK-HXUWFJFHSA-N	1	0	372.469	1.203	20	30		FDEDRO
N#CC[C@@]1(O)CCN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1	ZINC000591975206	551922880	/nfs/dbraw/zinc/92/28/80/551922880.db2.gz	RVQPCHZKBFDFBS-LJQANCHMSA-N	1	0	364.490	1.329	20	30		FDEDRO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCc1ccc(C#N)c(Cl)c1	ZINC000591989476	551924015	/nfs/dbraw/zinc/92/40/15/551924015.db2.gz	VDKINIDBLXSVGH-GFCCVEGCSA-N	1	0	363.849	1.473	20	30		FDEDRO
N#CC[C@]1(O)CC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C1	ZINC000592144660	551949366	/nfs/dbraw/zinc/94/93/66/551949366.db2.gz	HHGAXNRRZXXGHY-HIFRSBDPSA-N	1	0	355.232	1.539	20	30		FDEDRO
Cc1oc(NC(=O)[C@H](C)N2CCOC3(CC[NH+](C)CC3)C2)c(C#N)c1C	ZINC000592183821	551954772	/nfs/dbraw/zinc/95/47/72/551954772.db2.gz	BVTSQFGPDKBAMK-AWEZNQCLSA-N	1	0	360.458	1.892	20	30		FDEDRO
CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1	ZINC000592184814	551955260	/nfs/dbraw/zinc/95/52/60/551955260.db2.gz	LALOJOORRXJOEN-MRXNPFEDSA-N	1	0	368.359	1.887	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)CC1	ZINC000592302177	551975505	/nfs/dbraw/zinc/97/55/05/551975505.db2.gz	AGESWZNCGUXSCD-QGZVFWFLSA-N	1	0	362.518	1.975	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1Br	ZINC000592376409	551985848	/nfs/dbraw/zinc/98/58/48/551985848.db2.gz	JPQUQQCLJVHMRA-CQSZACIVSA-N	1	0	370.272	1.695	20	30		FDEDRO
C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	ZINC000592428456	551994102	/nfs/dbraw/zinc/99/41/02/551994102.db2.gz	PCUSETWUKJRYQP-QWHCGFSZSA-N	1	0	367.409	1.926	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2ccc(OCCO)cc2)cc1	ZINC000592431972	551994352	/nfs/dbraw/zinc/99/43/52/551994352.db2.gz	AGDRHFRPMORJCM-UHFFFAOYSA-N	1	0	360.435	1.493	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](CO)CC2CCCCC2)nc1	ZINC000592431332	551994387	/nfs/dbraw/zinc/99/43/87/551994387.db2.gz	SZYXQNZKVFBNQF-MRXNPFEDSA-N	1	0	351.472	1.648	20	30		FDEDRO
N#Cc1ccc(CNC(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])c(F)c1	ZINC000592442442	551996210	/nfs/dbraw/zinc/99/62/10/551996210.db2.gz	POJKCGCCZPNISV-SFHVURJKSA-N	1	0	366.396	1.398	20	30		FDEDRO
N#CCc1ccc(CNC(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])cc1	ZINC000592442926	551996219	/nfs/dbraw/zinc/99/62/19/551996219.db2.gz	XURSVAHSYBMLBK-LJQANCHMSA-N	1	0	362.433	1.454	20	30		FDEDRO
CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3Cc4cccc(C#N)c4C3)C2)CC1	ZINC000593351013	552094208	/nfs/dbraw/zinc/09/42/08/552094208.db2.gz	ZMPRHLKPGDYVFD-QGZVFWFLSA-N	1	0	353.470	1.752	20	30		FDEDRO
C[C@@H]1CN(C(=O)NCC(=O)NCC#N)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1	ZINC000593410081	552104422	/nfs/dbraw/zinc/10/44/22/552104422.db2.gz	HYFLJUWCAKIUSV-OWCLPIDISA-N	1	0	357.458	1.319	20	30		FDEDRO
C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C[C@H](CO)O1	ZINC000593513383	552119925	/nfs/dbraw/zinc/11/99/25/552119925.db2.gz	IRRJQMBKUFPVCZ-DNVCBOLYSA-N	1	0	372.469	1.314	20	30		FDEDRO
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCO[C@H](C#N)C3)CC2)c1	ZINC000593512381	552119954	/nfs/dbraw/zinc/11/99/54/552119954.db2.gz	VLMIKGWBJGDILB-GOSISDBHSA-N	1	0	353.426	1.457	20	30		FDEDRO
CCc1nnc(CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)o1	ZINC000593515538	552120643	/nfs/dbraw/zinc/12/06/43/552120643.db2.gz	KFNCVGQUGWPIEP-UHFFFAOYSA-N	1	0	368.441	1.967	20	30		FDEDRO
CC1(C)[C@H](O)C[C@H]1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593514216	552120721	/nfs/dbraw/zinc/12/07/21/552120721.db2.gz	TZRZLVJQIMWFMA-QZTJIDSGSA-N	1	0	356.470	1.981	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)C1	ZINC000593541253	552127906	/nfs/dbraw/zinc/12/79/06/552127906.db2.gz	IUQRWTQAZKDMAI-CYBMUJFWSA-N	1	0	351.428	1.060	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N(C)[C@@H]1CCN(C2CC2)C1	ZINC000593543376	552128319	/nfs/dbraw/zinc/12/83/19/552128319.db2.gz	ABBUPJXREVBXJF-CQSZACIVSA-N	1	0	363.439	1.202	20	30		FDEDRO
CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2ccsc2C#N)C1	ZINC000593555901	552132402	/nfs/dbraw/zinc/13/24/02/552132402.db2.gz	GUTSYPWCZWRQCV-CYBMUJFWSA-N	1	0	357.501	1.741	20	30		FDEDRO
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N(C)CCCC[NH+](C)C	ZINC000593562004	552134956	/nfs/dbraw/zinc/13/49/56/552134956.db2.gz	QGRJOWGDTFQYDZ-UHFFFAOYSA-N	1	0	353.444	1.307	20	30		FDEDRO
C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)c2ccsc2C#N)CC1	ZINC000593586455	552144444	/nfs/dbraw/zinc/14/44/44/552144444.db2.gz	YXNJRULNBMEDAD-UHFFFAOYSA-N	1	0	356.517	1.314	20	30		FDEDRO
N#Cc1ccc(OCCNC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1	ZINC000593706481	552178500	/nfs/dbraw/zinc/17/85/00/552178500.db2.gz	LDNASWDHDBGELD-SCTDSRPQSA-N	1	0	372.469	1.865	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)NCCC2CC[NH2+]CC2)CCN1Cc1ccccc1	ZINC000593719118	552181897	/nfs/dbraw/zinc/18/18/97/552181897.db2.gz	VRVLXAMHPWXDHO-LJQANCHMSA-N	1	0	355.486	1.796	20	30		FDEDRO
COC[C@@]1(CNS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)CCC[NH2+]1	ZINC000593732318	552185895	/nfs/dbraw/zinc/18/58/95/552185895.db2.gz	LFDMKIHLMOWCKY-KRWDZBQOSA-N	1	0	351.472	1.535	20	30		FDEDRO
Cc1cc(S(=O)(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)ccc1C#N	ZINC000593735864	552187200	/nfs/dbraw/zinc/18/72/00/552187200.db2.gz	PJKNFFLGQQZXQN-BQFCYCMXSA-N	1	0	363.483	1.774	20	30		FDEDRO
N#Cc1cccnc1-n1cc(NC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cn1	ZINC000593764213	552193429	/nfs/dbraw/zinc/19/34/29/552193429.db2.gz	YXFPRXUCMALYIK-KSSFIOAISA-N	1	0	351.414	1.732	20	30		FDEDRO
CC(C)Oc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1C#N	ZINC000593767775	552194665	/nfs/dbraw/zinc/19/46/65/552194665.db2.gz	UNTCEMHMLNCWAM-YWZLYKJASA-N	1	0	370.453	1.871	20	30		FDEDRO
CCO[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C[C@H]1C[NH3+]	ZINC000593771335	552195211	/nfs/dbraw/zinc/19/52/11/552195211.db2.gz	SUBYKKDDJQFINY-RHSMWYFYSA-N	1	0	374.441	1.130	20	30		FDEDRO
C[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000593885643	552217393	/nfs/dbraw/zinc/21/73/93/552217393.db2.gz	IZFVUQIKGKWHJJ-INIZCTEOSA-N	1	0	368.481	1.897	20	30		FDEDRO
Cc1c(C(=O)Nc2n[nH]c3cc(C#N)c(C)cc32)nnn1C1CC[NH2+]CC1	ZINC000593916068	552225130	/nfs/dbraw/zinc/22/51/30/552225130.db2.gz	DHJZHPDPYPNWHO-UHFFFAOYSA-N	1	0	364.413	1.820	20	30		FDEDRO
C[C@H]1CCNC(=O)[C@@H]1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593925412	552226492	/nfs/dbraw/zinc/22/64/92/552226492.db2.gz	AIOTUHJFGMPTIZ-KBXCAEBGSA-N	1	0	369.469	1.346	20	30		FDEDRO
C[C@@H](CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)N1C[C@@H](C)O[C@@H](C)C1	ZINC000594100396	552248916	/nfs/dbraw/zinc/24/89/16/552248916.db2.gz	YSBARDMVJMEANR-YIOZNXECSA-N	1	0	354.454	1.854	20	30		FDEDRO
N#Cc1ccccc1CSCCNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000594218073	552265967	/nfs/dbraw/zinc/26/59/67/552265967.db2.gz	ZQSFBHNWOAOCIF-DLBZAZTESA-N	1	0	360.483	1.252	20	30		FDEDRO
C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000594274058	552275837	/nfs/dbraw/zinc/27/58/37/552275837.db2.gz	VJCGUOWUNSGXCI-KRWDZBQOSA-N	1	0	368.481	1.503	20	30		FDEDRO
CCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2OC)CC1	ZINC000594314713	552285633	/nfs/dbraw/zinc/28/56/33/552285633.db2.gz	IDUSPGULRLHLAG-UHFFFAOYSA-N	1	0	358.442	1.838	20	30		FDEDRO
C[C@@](NC(=O)[C@@H]([NH3+])CCCCC#N)(C(N)=O)c1cccc(C(F)(F)F)c1	ZINC000594433323	552309137	/nfs/dbraw/zinc/30/91/37/552309137.db2.gz	NPRFWKISJMAHQN-BBRMVZONSA-N	1	0	370.375	1.933	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1	ZINC000594432227	552309147	/nfs/dbraw/zinc/30/91/47/552309147.db2.gz	ZXAMZJZRMIAGAF-INIZCTEOSA-N	1	0	373.453	1.991	20	30		FDEDRO
CCNS(=O)(=O)c1ccc(CNC(=O)[C@H]([NH3+])CCCCC#N)cc1	ZINC000594445545	552312213	/nfs/dbraw/zinc/31/22/13/552312213.db2.gz	HGVAFOSLCBSRTR-OAHLLOKOSA-N	1	0	352.460	1.012	20	30		FDEDRO
N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H](c1cccs1)N1CCOCC1	ZINC000594446510	552312224	/nfs/dbraw/zinc/31/22/24/552312224.db2.gz	UUAVNBRZDGAPKS-GJZGRUSLSA-N	1	0	350.488	1.649	20	30		FDEDRO
COc1cc(OC)cc(N2CC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)C2=O)c1	ZINC000594445429	552312278	/nfs/dbraw/zinc/31/22/78/552312278.db2.gz	FHSXZUDCXHCYKM-SJORKVTESA-N	1	0	374.441	1.337	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]([NH2+]C3CCN([C@H]4CCOC4)CC3)C2=O)cc1	ZINC000594503780	552326740	/nfs/dbraw/zinc/32/67/40/552326740.db2.gz	BIRAQLIVNZFRQM-VQTJNVASSA-N	1	0	368.481	1.897	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)NCC2CC[NH+](C3CCOCC3)CC2)s1	ZINC000594799550	552388955	/nfs/dbraw/zinc/38/89/55/552388955.db2.gz	DSHPBONXJFVGKM-UHFFFAOYSA-N	1	0	369.512	1.789	20	30		FDEDRO
CN(CCC[NH+](C)C)CCNS(=O)(=O)c1cccc(Cl)c1C#N	ZINC000594820319	552397846	/nfs/dbraw/zinc/39/78/46/552397846.db2.gz	AZBNMNAIUBOUGZ-UHFFFAOYSA-N	1	0	358.895	1.373	20	30		FDEDRO
CN(CCC[NH+](C)C)CCNS(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000594822249	552398702	/nfs/dbraw/zinc/39/87/02/552398702.db2.gz	TWIPGIWECCQXNX-UHFFFAOYSA-N	1	0	358.895	1.373	20	30		FDEDRO
CCN(C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@H]1CC[N@H+](CC)C1	ZINC000595130621	552461213	/nfs/dbraw/zinc/46/12/13/552461213.db2.gz	KMVFCVDMCOVOIY-HNNXBMFYSA-N	1	0	359.474	1.996	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1	ZINC000595130727	552461249	/nfs/dbraw/zinc/46/12/49/552461249.db2.gz	XMZGMHJHQQCBCL-UHFFFAOYSA-N	1	0	353.532	1.889	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N1CCCC[C@H]1CN1CCOCC1	ZINC000595152864	552469348	/nfs/dbraw/zinc/46/93/48/552469348.db2.gz	KSKDIBGPNDZYTG-INIZCTEOSA-N	1	0	369.531	1.125	20	30		FDEDRO
C[C@]1(C#N)CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1	ZINC000595187642	552483077	/nfs/dbraw/zinc/48/30/77/552483077.db2.gz	WJAXSKABFCFPLY-WAOWUJCRSA-N	1	0	366.465	1.481	20	30		FDEDRO
C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)N3CC[C@](C)(C#N)C3)cccc21	ZINC000595212526	552492590	/nfs/dbraw/zinc/49/25/90/552492590.db2.gz	LINSEWMQIHWLBO-HNAYVOBHSA-N	1	0	356.426	1.772	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2	ZINC000595238406	552502030	/nfs/dbraw/zinc/50/20/30/552502030.db2.gz	WVASNMTYWAJCKI-UHFFFAOYSA-N	1	0	351.447	1.835	20	30		FDEDRO
N#CCCC[C@H](NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)c1ccccc1	ZINC000595266729	552508326	/nfs/dbraw/zinc/50/83/26/552508326.db2.gz	CRQLZVAPDVBVGC-HNNXBMFYSA-N	1	0	354.414	1.875	20	30		FDEDRO
C[C@H](NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)c1cccc(C#N)c1	ZINC000595278126	552510752	/nfs/dbraw/zinc/51/07/52/552510752.db2.gz	CUGLJGSMUXEEMJ-KXBFYZLASA-N	1	0	368.481	1.974	20	30		FDEDRO
N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC000595383986	552544137	/nfs/dbraw/zinc/54/41/37/552544137.db2.gz	GGXXQQXMRHYYKA-ZDUSSCGKSA-N	1	0	369.874	1.431	20	30		FDEDRO
C[C@@]1(C#N)CCN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000595460102	552565048	/nfs/dbraw/zinc/56/50/48/552565048.db2.gz	PFUJVZSCOGIJDQ-FQEVSTJZSA-N	1	0	355.486	1.749	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@]3(CC[N@H+](C)C3)C2)CC1	ZINC000595505441	552574390	/nfs/dbraw/zinc/57/43/90/552574390.db2.gz	UGQZAICUWLTGEL-UYAOXDASSA-N	1	0	361.534	1.096	20	30		FDEDRO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H](Cn2ccnn2)C1	ZINC000595608318	552591788	/nfs/dbraw/zinc/59/17/88/552591788.db2.gz	NRRSYTOZBNFPSA-DHADLLTHSA-N	1	0	358.490	1.919	20	30		FDEDRO
CO[C@@]1(CO)CCC[N@@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000595661606	552599212	/nfs/dbraw/zinc/59/92/12/552599212.db2.gz	XPGIAXQEUABOJS-JZRYZNKLSA-N	1	0	351.491	1.779	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000595705960	552604858	/nfs/dbraw/zinc/60/48/58/552604858.db2.gz	YZVCSQLMAYWLOJ-MRXNPFEDSA-N	1	0	356.474	1.658	20	30		FDEDRO
CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1	ZINC000595717235	552606326	/nfs/dbraw/zinc/60/63/26/552606326.db2.gz	HOMHKBUJALTDEH-RDTXWAMCSA-N	1	0	351.447	1.039	20	30		FDEDRO
CC[N@H+](C)C[C@H](O)CN1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595733192	552608261	/nfs/dbraw/zinc/60/82/61/552608261.db2.gz	NGFMRNZVQQXGMQ-SFHVURJKSA-N	1	0	368.485	1.383	20	30		FDEDRO
Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]CC(=O)NCc2cccc(C#N)c2)cn1	ZINC000595768710	552613286	/nfs/dbraw/zinc/61/32/86/552613286.db2.gz	GMMGMJSWLOGLSR-OALUTQOASA-N	1	0	351.454	1.909	20	30		FDEDRO
C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCN(c2cnccc2C#N)CC1	ZINC000595788184	552615190	/nfs/dbraw/zinc/61/51/90/552615190.db2.gz	QSTAIIXLNUPLMH-KRWDZBQOSA-N	1	0	370.501	1.905	20	30		FDEDRO
C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC000595863204	552625152	/nfs/dbraw/zinc/62/51/52/552625152.db2.gz	KZLJRZXTLWZKCZ-YLJYHZDGSA-N	1	0	370.497	1.853	20	30		FDEDRO
CC(C)[NH2+]CC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595966657	552639684	/nfs/dbraw/zinc/63/96/84/552639684.db2.gz	KOKJIESHWCTHOH-UHFFFAOYSA-N	1	0	352.442	1.595	20	30		FDEDRO
N#Cc1ccc(-c2cc(N3CCN(C(=O)CC[NH2+]C4CC4)CC3)n[nH]2)cc1	ZINC000595972179	552640501	/nfs/dbraw/zinc/64/05/01/552640501.db2.gz	VDFGCKSGVJVXJL-UHFFFAOYSA-N	1	0	364.453	1.739	20	30		FDEDRO
CCS(=O)(=O)C1(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000596064197	552651511	/nfs/dbraw/zinc/65/15/11/552651511.db2.gz	DBJMRCQHNVRMBQ-HNNXBMFYSA-N	1	0	352.456	1.049	20	30		FDEDRO
N#Cc1cnnc(NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c1	ZINC000596119183	552657223	/nfs/dbraw/zinc/65/72/23/552657223.db2.gz	ALADVWJNGHSYFT-KRWDZBQOSA-N	1	0	350.426	1.658	20	30		FDEDRO
C[C@]1(NC(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)CC[NH2+]C1	ZINC000596128065	552658326	/nfs/dbraw/zinc/65/83/26/552658326.db2.gz	CQKZLMODKDOISN-KRWDZBQOSA-N	1	0	355.423	1.488	20	30		FDEDRO
C[C@@H]1CN(c2nc3ncccc3cc2C#N)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000596180737	552662587	/nfs/dbraw/zinc/66/25/87/552662587.db2.gz	SXECZFRUOKPTDE-CRAIPNDOSA-N	1	0	350.470	1.964	20	30		FDEDRO
Cc1cc(NCC2(N3CCOCC3)CC[NH+](C)CC2)cc(C#N)c1[N+](=O)[O-]	ZINC000596269716	552669762	/nfs/dbraw/zinc/66/97/62/552669762.db2.gz	DVHLSAPMHMLHOS-UHFFFAOYSA-N	1	0	373.457	1.983	20	30		FDEDRO
C[NH+]1CCC(CNc2nc(C#N)c(Cl)s2)(N2CCOCC2)CC1	ZINC000596269435	552669852	/nfs/dbraw/zinc/66/98/52/552669852.db2.gz	BJSBBJNYLJMJIC-UHFFFAOYSA-N	1	0	355.895	1.877	20	30		FDEDRO
C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NC2CCN(CC#N)CC2)C1	ZINC000596274785	552670067	/nfs/dbraw/zinc/67/00/67/552670067.db2.gz	FZSVGDGRRUBVFA-FQEVSTJZSA-N	1	0	369.513	1.933	20	30		FDEDRO
CCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1	ZINC000596879546	552720678	/nfs/dbraw/zinc/72/06/78/552720678.db2.gz	BZMWKTDLKPTEIX-MOPGFXCFSA-N	1	0	355.486	1.890	20	30		FDEDRO
CC(C)(C)OC(=O)[C@]12COC[C@H]1C[N@H+](Cc1cnc3c(C#N)cnn3c1)C2	ZINC000597200288	552760034	/nfs/dbraw/zinc/76/00/34/552760034.db2.gz	UMXHAEHTPOXEDL-DNVCBOLYSA-N	1	0	369.425	1.391	20	30		FDEDRO
C[C@@H](NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(C#N)c1	ZINC000597254241	552765725	/nfs/dbraw/zinc/76/57/25/552765725.db2.gz	HNGXKQRXTKHTME-RDTXWAMCSA-N	1	0	370.453	1.105	20	30		FDEDRO
C[C@H]1C[N@H+](CCCNC(=O)C(=O)NCC2(C#N)CCCCC2)CCCO1	ZINC000597303533	552772104	/nfs/dbraw/zinc/77/21/04/552772104.db2.gz	GMHDYAYZIZVVOP-INIZCTEOSA-N	1	0	364.490	1.194	20	30		FDEDRO
C=CCCSCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1	ZINC000597303060	552772153	/nfs/dbraw/zinc/77/21/53/552772153.db2.gz	DIPPXZZFSUEZJZ-IRXDYDNUSA-N	1	0	361.511	1.974	20	30		FDEDRO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC[N@H+](CCC)C1	ZINC000597400740	552784544	/nfs/dbraw/zinc/78/45/44/552784544.db2.gz	BBHGXMWIDRKZTD-GOSISDBHSA-N	1	0	356.470	1.897	20	30		FDEDRO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1	ZINC000597420457	552787147	/nfs/dbraw/zinc/78/71/47/552787147.db2.gz	DZHLGTQUSUVBAW-UHFFFAOYSA-N	1	0	368.481	1.755	20	30		FDEDRO
CN(C)c1cc(C#N)cc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)c1	ZINC000597621631	552813059	/nfs/dbraw/zinc/81/30/59/552813059.db2.gz	YUOOCKXIHGFYEC-SFHVURJKSA-N	1	0	356.470	1.951	20	30		FDEDRO
N#Cc1ccc(N2CC[C@@H](C(=O)NC[C@H]3C[N@@H+]4CCN3CCC4)C2)c(F)c1	ZINC000597624971	552813862	/nfs/dbraw/zinc/81/38/62/552813862.db2.gz	MXOKSAAYFAHMRE-SJORKVTESA-N	1	0	371.460	1.030	20	30		FDEDRO
N#Cc1cc(Br)ccc1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2	ZINC000597626972	552814375	/nfs/dbraw/zinc/81/43/75/552814375.db2.gz	VSKZEFAHNVEJOX-CQSZACIVSA-N	1	0	363.259	1.440	20	30		FDEDRO
C[C@@H](CC#N)C(=O)Nc1cccc(S(=O)(=O)NCCCC[NH+](C)C)c1	ZINC000597639635	552816148	/nfs/dbraw/zinc/81/61/48/552816148.db2.gz	UAJOYMLCXDZQNY-AWEZNQCLSA-N	1	0	366.487	1.795	20	30		FDEDRO
CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000597858128	552841383	/nfs/dbraw/zinc/84/13/83/552841383.db2.gz	JXMLILOBHHXISO-MRXNPFEDSA-N	1	0	352.442	1.929	20	30		FDEDRO
CC[NH+](CC)CC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000598156622	552869814	/nfs/dbraw/zinc/86/98/14/552869814.db2.gz	LYNUWYZECQOUDY-UHFFFAOYSA-N	1	0	366.469	1.939	20	30		FDEDRO
N#Cc1cccc(-n2ccc(C(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)n2)c1	ZINC000598451075	552896674	/nfs/dbraw/zinc/89/66/74/552896674.db2.gz	NAYPIVLXAOBBBE-GOSISDBHSA-N	1	0	365.437	1.415	20	30		FDEDRO
Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C[C@@H](O)CC(C)(C)C#N	ZINC000598590483	552912280	/nfs/dbraw/zinc/91/22/80/552912280.db2.gz	ZQINFPSAXTYBQM-YOEHRIQHSA-N	1	0	355.442	1.416	20	30		FDEDRO
CO[C@H](C)c1noc(CN2CCC[N@H+](C[C@H](O)CC(C)(C)C#N)CC2)n1	ZINC000598594089	552912761	/nfs/dbraw/zinc/91/27/61/552912761.db2.gz	YTTIAWQERXWCGO-HUUCEWRRSA-N	1	0	365.478	1.585	20	30		FDEDRO
CC(=O)N1CCN(c2ccccc2C[NH2+]C[C@H](O)CC(C)(C)C#N)CC1	ZINC000598718907	552927918	/nfs/dbraw/zinc/92/79/18/552927918.db2.gz	DWSFQTZKPCRECM-GOSISDBHSA-N	1	0	358.486	1.745	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1	ZINC000598896457	552940522	/nfs/dbraw/zinc/94/05/22/552940522.db2.gz	IXFYAGZWBCIXAZ-UHFFFAOYSA-N	1	0	361.402	1.483	20	30		FDEDRO
N#CC1(C[C@H](O)CN2CC[NH+](CCc3cccs3)CC2)CCOCC1	ZINC000599270374	553010172	/nfs/dbraw/zinc/01/01/72/553010172.db2.gz	IBQYIBQJLOUDSC-KRWDZBQOSA-N	1	0	363.527	1.980	20	30		FDEDRO
CCCC(=O)NC[C@H]1CCC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000599278271	553012955	/nfs/dbraw/zinc/01/29/55/553012955.db2.gz	BJHSSEXBBLTTSS-IAGOWNOFSA-N	1	0	351.491	1.686	20	30		FDEDRO
COC(=O)C[C@](C)([NH2+]C[C@@H](O)COc1ccccc1C#N)c1ccccn1	ZINC000599382073	553041132	/nfs/dbraw/zinc/04/11/32/553041132.db2.gz	SDEHHIVSCKSAOO-UZLBHIALSA-N	1	0	369.421	1.761	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C	ZINC000599441528	553057502	/nfs/dbraw/zinc/05/75/02/553057502.db2.gz	BSQDMQLMZZNCKC-RYRKJORJSA-N	1	0	364.515	1.965	20	30		FDEDRO
CCO[C@@H]1C[C@@H]([NH2+]CC#CCN2C(=O)c3ccccc3C2=O)[C@@H]1SC	ZINC000599452140	553060415	/nfs/dbraw/zinc/06/04/15/553060415.db2.gz	MNCYJHGLVGRHCT-ZACQAIPSSA-N	1	0	358.463	1.785	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1	ZINC000599513680	553077879	/nfs/dbraw/zinc/07/78/79/553077879.db2.gz	CKWAOIIUXMURGV-XHSDSOJGSA-N	1	0	356.461	1.902	20	30		FDEDRO
CN(Cc1cnn(C)c1)C(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1	ZINC000599632192	553108338	/nfs/dbraw/zinc/10/83/38/553108338.db2.gz	TUSCPGQBUFEABI-UHFFFAOYSA-N	1	0	367.453	1.546	20	30		FDEDRO
CC(C)(C)OC(=O)CNC(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1	ZINC000599634521	553109639	/nfs/dbraw/zinc/10/96/39/553109639.db2.gz	SVPSQCJQQXIIJF-UHFFFAOYSA-N	1	0	373.453	1.611	20	30		FDEDRO
COC(=O)[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)[C@@H]2CCC[C@H]21	ZINC000599654817	553114015	/nfs/dbraw/zinc/11/40/15/553114015.db2.gz	SAXKAIFMQAPJIR-GDAAHCPNSA-N	1	0	358.438	1.962	20	30		FDEDRO
COc1cc(NC(=O)NCCN2C[C@@H](C)OC[C@H]2C)c(F)cc1C#N	ZINC000599808497	553153260	/nfs/dbraw/zinc/15/32/60/553153260.db2.gz	MNOYZDRPGASXSP-VXGBXAGGSA-N	1	0	350.394	1.937	20	30		FDEDRO
COc1cc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(F)cc1C#N	ZINC000599818115	553154752	/nfs/dbraw/zinc/15/47/52/553154752.db2.gz	UGNDREZOVKEBAY-CVEARBPZSA-N	1	0	362.405	1.769	20	30		FDEDRO
N#Cc1cccc2c1CN(C(=O)C(=O)Nc1ccc3c(c1)OCC[NH2+]C3)C2	ZINC000599883931	553167164	/nfs/dbraw/zinc/16/71/64/553167164.db2.gz	ICNFGJPWDXGANE-UHFFFAOYSA-N	1	0	362.389	1.521	20	30		FDEDRO
CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000599890296	553168377	/nfs/dbraw/zinc/16/83/77/553168377.db2.gz	QZIBZBNOHIVBBA-QGZVFWFLSA-N	1	0	358.442	1.764	20	30		FDEDRO
N#CCCCOc1cccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)c1	ZINC000599891491	553169231	/nfs/dbraw/zinc/16/92/31/553169231.db2.gz	MRWWCOSPXUUEFH-MRXNPFEDSA-N	1	0	356.426	1.708	20	30		FDEDRO
C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C[NH2+]1	ZINC000599895032	553169883	/nfs/dbraw/zinc/16/98/83/553169883.db2.gz	BQTNPCJDWAIOJG-BXKDBHETSA-N	1	0	365.231	1.516	20	30		FDEDRO
C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C[NH2+]1	ZINC000599896272	553170367	/nfs/dbraw/zinc/17/03/67/553170367.db2.gz	OSEJGQGYAJXTBS-CABZTGNLSA-N	1	0	365.231	1.516	20	30		FDEDRO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1	ZINC000599901017	553171539	/nfs/dbraw/zinc/17/15/39/553171539.db2.gz	XCERRMFTDDSPCW-OLZOCXBDSA-N	1	0	368.359	1.791	20	30		FDEDRO
CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000599916785	553173852	/nfs/dbraw/zinc/17/38/52/553173852.db2.gz	DMHHEDOVDPNLEK-GVDBMIGSSA-N	1	0	355.442	1.493	20	30		FDEDRO
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1	ZINC000599930012	553175492	/nfs/dbraw/zinc/17/54/92/553175492.db2.gz	YEURWIRVDTVFES-OAHLLOKOSA-N	1	0	370.457	1.540	20	30		FDEDRO
N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)cc1	ZINC000599937729	553178189	/nfs/dbraw/zinc/17/81/89/553178189.db2.gz	JFPITZUJDCIVSI-GBESFXJTSA-N	1	0	354.454	1.195	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1	ZINC000599943080	553180478	/nfs/dbraw/zinc/18/04/78/553180478.db2.gz	ASZQVTPWBOVDSA-QWRGUYRKSA-N	1	0	353.410	1.008	20	30		FDEDRO
COc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(F)cc1C#N	ZINC000599971726	553189557	/nfs/dbraw/zinc/18/95/57/553189557.db2.gz	CHVFFFTYTMNBCL-YPMHNXCESA-N	1	0	362.405	1.586	20	30		FDEDRO
Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)ncc1C#N	ZINC000600013074	553200199	/nfs/dbraw/zinc/20/01/99/553200199.db2.gz	WOHJBVGGQZRKRW-INIZCTEOSA-N	1	0	355.442	1.723	20	30		FDEDRO
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1	ZINC000600060535	553210523	/nfs/dbraw/zinc/21/05/23/553210523.db2.gz	AKOGXFURUNZCPG-HNNXBMFYSA-N	1	0	356.426	1.638	20	30		FDEDRO
COc1ccc([C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)N2CCOCC2)cc1	ZINC000600714752	553305781	/nfs/dbraw/zinc/30/57/81/553305781.db2.gz	OZKVNUPQVWYCBC-MJGOQNOKSA-N	1	0	359.470	1.713	20	30		FDEDRO
C[C@H]1CN(c2ccc(C[NH2+]C[C@@H](O)CC3(C#N)CCOCC3)cn2)CCO1	ZINC000600714773	553305860	/nfs/dbraw/zinc/30/58/60/553305860.db2.gz	COHRFKNPBWLFDZ-WMZOPIPTSA-N	1	0	374.485	1.468	20	30		FDEDRO
N#CC1(C[C@@H](O)C[NH2+]Cc2ccc(Cn3cncn3)cc2)CCOCC1	ZINC000600719843	553306645	/nfs/dbraw/zinc/30/66/45/553306645.db2.gz	WZGBYWXQQJKQHV-GOSISDBHSA-N	1	0	355.442	1.487	20	30		FDEDRO
Cc1ccc(C(=O)NCC[NH2+]C[C@@H](O)COc2ccccc2C#N)cc1F	ZINC000600719433	553306806	/nfs/dbraw/zinc/30/68/06/553306806.db2.gz	VMUPXGGNMPAWNU-QGZVFWFLSA-N	1	0	371.412	1.765	20	30		FDEDRO
COc1cccc(N2CC[C@H]([NH2+]C[C@H](O)CC3(C#N)CCOCC3)C2)c1	ZINC000600721998	553307129	/nfs/dbraw/zinc/30/71/29/553307129.db2.gz	OOFGRFUDHRXQPK-FUHWJXTLSA-N	1	0	359.470	1.935	20	30		FDEDRO
C[C@@H]1C[C@H]([NH2+]C[C@H](O)CC2(C#N)CCOCC2)C(=O)N1c1ccccc1	ZINC000600724443	553307718	/nfs/dbraw/zinc/30/77/18/553307718.db2.gz	OKBGIDSNPYWOPA-NXHRZFHOSA-N	1	0	357.454	1.841	20	30		FDEDRO
COc1cc(CN2CC[C@@H]([NH2+]C[C@@H](O)CC3(C#N)CC3)C2)cc(OC)c1	ZINC000600729483	553308322	/nfs/dbraw/zinc/30/83/22/553308322.db2.gz	HHFJOVADSSQJEF-SJORKVTESA-N	1	0	359.470	1.922	20	30		FDEDRO
COc1ccccc1N1CC[C@H]([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1=O	ZINC000600731831	553308694	/nfs/dbraw/zinc/30/86/94/553308694.db2.gz	VKTQISIPCCESQQ-HOTGVXAUSA-N	1	0	373.453	1.461	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H](O)COc1ccc(F)cc1	ZINC000600745133	553310383	/nfs/dbraw/zinc/31/03/83/553310383.db2.gz	QXPZCMDLFDWGKY-IAGOWNOFSA-N	1	0	360.385	1.467	20	30		FDEDRO
N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]([C@@H]1CCCO1)C1(CO)CCC1	ZINC000600749201	553310608	/nfs/dbraw/zinc/31/06/08/553310608.db2.gz	PXULATSFABTPRU-NZSAHSFTSA-N	1	0	360.454	1.598	20	30		FDEDRO
COc1ccc(CN2CC[C@H]2C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)cc1	ZINC000600760286	553312324	/nfs/dbraw/zinc/31/23/24/553312324.db2.gz	QYVPMEZBCLDCHG-RBUKOAKNSA-N	1	0	373.497	1.930	20	30		FDEDRO
C[NH+](C)CCn1cc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cn1	ZINC000600972781	553333616	/nfs/dbraw/zinc/33/36/16/553333616.db2.gz	FAZPLQDBJSBIMV-IBGZPJMESA-N	1	0	366.469	1.467	20	30		FDEDRO
N#CCc1ccccc1S(=O)(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1	ZINC000601344760	553380749	/nfs/dbraw/zinc/38/07/49/553380749.db2.gz	DJOPIDNGQCWDKN-KRWDZBQOSA-N	1	0	363.483	1.532	20	30		FDEDRO
Cc1cc(F)cc(C#N)c1S(=O)(=O)NCCN1CCC([NH+](C)C)CC1	ZINC000601364689	553386089	/nfs/dbraw/zinc/38/60/89/553386089.db2.gz	KGSMFMLKGGUCQU-UHFFFAOYSA-N	1	0	368.478	1.310	20	30		FDEDRO
N#Cc1ccc(CS(=O)(=O)N2CCC([N@@H+]3CCCOCC3)CC2)cc1	ZINC000601439912	553406039	/nfs/dbraw/zinc/40/60/39/553406039.db2.gz	ODKWYEBQTMHBHB-UHFFFAOYSA-N	1	0	363.483	1.575	20	30		FDEDRO
C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000601575902	553438553	/nfs/dbraw/zinc/43/85/53/553438553.db2.gz	SLUKLVYUNDVETI-SCZZXKLOSA-N	1	0	351.204	1.207	20	30		FDEDRO
C=C(C)C[C@@H](NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)C(=O)OC	ZINC000601781810	553474639	/nfs/dbraw/zinc/47/46/39/553474639.db2.gz	MDMVQPBAQZJNNT-GOSISDBHSA-N	1	0	365.518	1.807	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21	ZINC000601967134	553496792	/nfs/dbraw/zinc/49/67/92/553496792.db2.gz	IEBVOCDZQBJAIV-QQDQCYIDSA-N	1	0	364.287	1.883	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCO[C@H](C(F)F)CC2)CC1	ZINC000601978538	553498634	/nfs/dbraw/zinc/49/86/34/553498634.db2.gz	YQDSWOBRNDBJMT-GJZGRUSLSA-N	1	0	358.433	1.035	20	30		FDEDRO
C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2cc(F)cc(C#N)c2)CCCO1	ZINC000602035991	553505569	/nfs/dbraw/zinc/50/55/69/553505569.db2.gz	CKGRQHPUWGATTL-CYBMUJFWSA-N	1	0	362.405	1.253	20	30		FDEDRO
CN(C(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@@H]1CCC[C@H]1C#N	ZINC000602073370	553513649	/nfs/dbraw/zinc/51/36/49/553513649.db2.gz	FYPJEHFOKJBSKT-WMLDXEAASA-N	1	0	358.442	1.716	20	30		FDEDRO
CN(C(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@H]1CCC[C@@H]1C#N	ZINC000602073365	553513712	/nfs/dbraw/zinc/51/37/12/553513712.db2.gz	FYPJEHFOKJBSKT-PBHICJAKSA-N	1	0	358.442	1.716	20	30		FDEDRO
CN1CCCC[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)C1=O	ZINC000602088108	553516932	/nfs/dbraw/zinc/51/69/32/553516932.db2.gz	KJKIERUNQAYSPN-GOSISDBHSA-N	1	0	356.470	1.707	20	30		FDEDRO
Cc1nsc(N2CCN(C(=O)[C@H]3CC[N@@H+]3C3CCCC3)CC2)c1C#N	ZINC000602151713	553529618	/nfs/dbraw/zinc/52/96/18/553529618.db2.gz	BJOBLIDKFAAAIC-MRXNPFEDSA-N	1	0	359.499	1.989	20	30		FDEDRO
C[NH+](C)[C@H]1C[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1(C)C	ZINC000602173496	553533812	/nfs/dbraw/zinc/53/38/12/553533812.db2.gz	QPTPWHQNJMHPTD-CVEARBPZSA-N	1	0	363.483	1.318	20	30		FDEDRO
C[NH+](C)C[C@H](NC(=O)NCC(=O)NCC#N)c1ccc(Cl)c(Cl)c1	ZINC000602313303	553561577	/nfs/dbraw/zinc/56/15/77/553561577.db2.gz	QJRJVEAOTGWETI-ZDUSSCGKSA-N	1	0	372.256	1.535	20	30		FDEDRO
COc1cccc([C@H]([NH3+])C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1	ZINC000602421206	553579027	/nfs/dbraw/zinc/57/90/27/553579027.db2.gz	KSCQVOOUENIGOF-SFHVURJKSA-N	1	0	351.410	1.310	20	30		FDEDRO
N#CCc1cccc2c1CCN(C(=O)c1cn([C@@H]3CCC[NH2+]C3)nn1)C2	ZINC000602574006	553606945	/nfs/dbraw/zinc/60/69/45/553606945.db2.gz	PREFRZNXFKSEAL-MRXNPFEDSA-N	1	0	350.426	1.467	20	30		FDEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C	ZINC000602653982	553618705	/nfs/dbraw/zinc/61/87/05/553618705.db2.gz	KGHRCULUIWHLIZ-CSNJMZFVSA-N	1	0	362.518	1.759	20	30		FDEDRO
CNC(=O)c1cc(O[C@H]2CCCN(Cc3nc(C#N)cs3)C2)ccn1	ZINC000602864247	553654484	/nfs/dbraw/zinc/65/44/84/553654484.db2.gz	QCEPNJFMEVEOFO-AWEZNQCLSA-N	1	0	357.439	1.813	20	30		FDEDRO
C[C@@H](C(=O)Nc1cccc(C#N)c1)n1cc(CN2CC[NH+](C)CC2)nn1	ZINC000603173908	553721890	/nfs/dbraw/zinc/72/18/90/553721890.db2.gz	PETJDWSUPQUSEN-AWEZNQCLSA-N	1	0	353.430	1.097	20	30		FDEDRO
N#Cc1ccsc1N1CC[C@@H](n2cc(C[C@H]3CCC[NH2+]C3)nn2)C1=O	ZINC000603192376	553728116	/nfs/dbraw/zinc/72/81/16/553728116.db2.gz	HTSQQOFVWSGGDG-IUODEOHRSA-N	1	0	356.455	1.731	20	30		FDEDRO
CC[NH2+]Cc1cn([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)nn1	ZINC000603192914	553728218	/nfs/dbraw/zinc/72/82/18/553728218.db2.gz	AWZFESYIQOKULL-CQSZACIVSA-N	1	0	356.430	1.904	20	30		FDEDRO
COCC[NH2+]Cc1ccn(Cc2cn([C@@H](C)c3cccc(C#N)c3)nn2)n1	ZINC000603231895	553737500	/nfs/dbraw/zinc/73/75/00/553737500.db2.gz	DGGMXUVYRSMMCJ-HNNXBMFYSA-N	1	0	365.441	1.740	20	30		FDEDRO
COCC[C@H]([NH3+])Cc1cn(Cc2ccc(C#N)cc2OC(F)F)nn1	ZINC000603235335	553738627	/nfs/dbraw/zinc/73/86/27/553738627.db2.gz	OSGRLXQHHGSKDD-ZDUSSCGKSA-N	1	0	351.357	1.706	20	30		FDEDRO
CC(C)(CCC#N)CNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC000603429987	553786698	/nfs/dbraw/zinc/78/66/98/553786698.db2.gz	DSZKOBLCZWEJTG-KRWDZBQOSA-N	1	0	365.522	1.412	20	30		FDEDRO
C[C@@H](CC[NH+](C)C)NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000604485060	553881059	/nfs/dbraw/zinc/88/10/59/553881059.db2.gz	NYKCNVWCQPNFOP-ZDUSSCGKSA-N	1	0	360.462	1.595	20	30		FDEDRO
N#Cc1cccc(CNC(=O)CN2CCC[N@H+](C[C@H]3CCCO3)CC2)c1	ZINC000604501231	553882159	/nfs/dbraw/zinc/88/21/59/553882159.db2.gz	CHWFNGIZMADFLO-LJQANCHMSA-N	1	0	356.470	1.361	20	30		FDEDRO
CN1CC[NH+](CCCCNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC1	ZINC000609112863	554338563	/nfs/dbraw/zinc/33/85/63/554338563.db2.gz	ZINJRPZHGIFVRX-HXUWFJFHSA-N	1	0	369.513	1.671	20	30		FDEDRO
CC(C)[NH2+][C@H]1CCCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1	ZINC000609135879	554340942	/nfs/dbraw/zinc/34/09/42/554340942.db2.gz	YNZOYCBXTITXSS-KRWDZBQOSA-N	1	0	363.483	1.462	20	30		FDEDRO
CCc1nc(COc2ccc(C(=O)NC3(C#N)CC[NH+](C)CC3)cc2)no1	ZINC000609662659	554408591	/nfs/dbraw/zinc/40/85/91/554408591.db2.gz	IRTMLISKSKCVHJ-UHFFFAOYSA-N	1	0	369.425	1.929	20	30		FDEDRO
N#C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCN1Cc1ccccc1	ZINC000610027394	554450193	/nfs/dbraw/zinc/45/01/93/554450193.db2.gz	GCRUEDWNTLJRES-VQTJNVASSA-N	1	0	367.497	1.890	20	30		FDEDRO
COC1CC[NH+](CCNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC1	ZINC000610573098	554532447	/nfs/dbraw/zinc/53/24/47/554532447.db2.gz	XUFCYAGVERRGEL-LJQANCHMSA-N	1	0	356.470	1.754	20	30		FDEDRO
C[C@@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)C1CC[NH+](C)CC1	ZINC000610684738	554549649	/nfs/dbraw/zinc/54/96/49/554549649.db2.gz	NGORSESHJWGKHA-HUUCEWRRSA-N	1	0	371.489	1.299	20	30		FDEDRO
C[NH+](C)CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1	ZINC000610999242	554592183	/nfs/dbraw/zinc/59/21/83/554592183.db2.gz	RYZWVDOKGYTTKG-UHFFFAOYSA-N	1	0	372.450	1.650	20	30		FDEDRO
C[NH+]1CCN(CCCCNS(=O)(=O)c2ccc(Cl)cc2C#N)CC1	ZINC000611015568	554594083	/nfs/dbraw/zinc/59/40/83/554594083.db2.gz	XPPHZOHRFLIANX-UHFFFAOYSA-N	1	0	370.906	1.518	20	30		FDEDRO
CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000611222774	554616891	/nfs/dbraw/zinc/61/68/91/554616891.db2.gz	DQUJMGXGKFIQML-SUHUHFCYSA-N	1	0	360.483	1.940	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C)c2cccc(C#N)c2)CC1	ZINC000611389465	554630520	/nfs/dbraw/zinc/63/05/20/554630520.db2.gz	WURMAOZQZVLSCL-APWZRJJASA-N	1	0	353.470	1.901	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1	ZINC000611875709	554694765	/nfs/dbraw/zinc/69/47/65/554694765.db2.gz	UPEGWHMLRKMJEY-ZWKOTPCHSA-N	1	0	363.502	1.322	20	30		FDEDRO
COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]C2CCN(CC#N)CC2)c1	ZINC000611967426	554710269	/nfs/dbraw/zinc/71/02/69/554710269.db2.gz	OOGSFRCYABYQMP-AWEZNQCLSA-N	1	0	358.442	1.768	20	30		FDEDRO
C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cc(N(C)C)cc[nH+]1	ZINC000612346445	554765346	/nfs/dbraw/zinc/76/53/46/554765346.db2.gz	TXZIGJKSWBYDGS-LBPRGKRZSA-N	1	0	373.438	1.325	20	30		FDEDRO
N#Cc1cc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)ccc1Cl	ZINC000612604935	554814321	/nfs/dbraw/zinc/81/43/21/554814321.db2.gz	MJXFYSRKABKFCN-INIZCTEOSA-N	1	0	362.861	1.348	20	30		FDEDRO
CC[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1	ZINC000613164477	554895044	/nfs/dbraw/zinc/89/50/44/554895044.db2.gz	PQOGHEGGNJCOKU-SWLSCSKDSA-N	1	0	353.430	1.909	20	30		FDEDRO
CC(C)(C)c1ccc(C#N)c(N2CCC(O)(C[NH+]3CCOCC3)CC2)n1	ZINC000613429043	554924661	/nfs/dbraw/zinc/92/46/61/554924661.db2.gz	HZRSHSSHAJCANQ-UHFFFAOYSA-N	1	0	358.486	1.914	20	30		FDEDRO
N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(Cn3cncn3)CC2)cc1	ZINC000614588285	555076991	/nfs/dbraw/zinc/07/69/91/555076991.db2.gz	RCCZGXDTCTZCFV-GOSISDBHSA-N	1	0	355.442	1.496	20	30		FDEDRO
N#C[C@@]1(F)CCN(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000615534838	555208604	/nfs/dbraw/zinc/20/86/04/555208604.db2.gz	HYNHOOOWFLBHGU-FQEVSTJZSA-N	1	0	373.476	1.841	20	30		FDEDRO
C=C(C)C[C@H](NC(C)=O)C(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1	ZINC000616381581	555298963	/nfs/dbraw/zinc/29/89/63/555298963.db2.gz	VCMFLPKPXUNSIB-IBGZPJMESA-N	1	0	364.534	1.476	20	30		FDEDRO
C[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000617023115	555375850	/nfs/dbraw/zinc/37/58/50/555375850.db2.gz	IEEJHZUPOSAJTI-DLBZAZTESA-N	1	0	355.442	1.053	20	30		FDEDRO
CC(C)[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)C(=O)N(C)Cc1nnc2n1CCC2	ZINC000619431969	555775627	/nfs/dbraw/zinc/77/56/27/555775627.db2.gz	HXKXDOWBPZYSQB-MPGHIAIKSA-N	1	0	358.490	1.879	20	30		FDEDRO
CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000619568619	555800358	/nfs/dbraw/zinc/80/03/58/555800358.db2.gz	IWFJVXLWURYCBX-SJORKVTESA-N	1	0	362.499	1.867	20	30		FDEDRO
COCC[N@@H+]1CCC[C@H](NC(=O)c2ccn(-c3cccc(C#N)c3)n2)C1	ZINC000619612526	555809135	/nfs/dbraw/zinc/80/91/35/555809135.db2.gz	UGUUQAYFMJIYKS-INIZCTEOSA-N	1	0	353.426	1.585	20	30		FDEDRO
CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@H](C)n3cnc(C#N)n3)c2)CC1	ZINC000619614895	555809629	/nfs/dbraw/zinc/80/96/29/555809629.db2.gz	FLBXRXVCOYVFEI-HNNXBMFYSA-N	1	0	367.457	1.880	20	30		FDEDRO
C[N@@H+]1CCN(CCNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC1(C)C	ZINC000619675509	555820596	/nfs/dbraw/zinc/82/05/96/555820596.db2.gz	OIHJLLPSMVUASU-IBGZPJMESA-N	1	0	369.513	1.669	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000619708474	555823773	/nfs/dbraw/zinc/82/37/73/555823773.db2.gz	VARKGCLOXFFQBF-SFHVURJKSA-N	1	0	364.515	1.969	20	30		FDEDRO
N#Cc1ccccc1NC(=O)CCCC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2	ZINC000619873525	555847567	/nfs/dbraw/zinc/84/75/67/555847567.db2.gz	KDUZOEKFEDPDSL-KRWDZBQOSA-N	1	0	369.469	1.173	20	30		FDEDRO
C=CCNc1ncc(C(=O)NC(C)(C)CN2CC[NH+](CC)CC2)s1	ZINC000622132689	556229356	/nfs/dbraw/zinc/22/93/56/556229356.db2.gz	YDEFCDLGIRUBCW-UHFFFAOYSA-N	1	0	351.520	1.887	20	30		FDEDRO
CC(=O)N1CC[C@H](C[N@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000625269454	556760060	/nfs/dbraw/zinc/76/00/60/556760060.db2.gz	NICLYLSLZQNXCT-MRXNPFEDSA-N	1	0	353.422	1.086	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)N1CCC(CC)([NH+]2CCOCC2)CC1	ZINC000625518819	556837268	/nfs/dbraw/zinc/83/72/68/556837268.db2.gz	YYCYIESCNLOZDU-UHFFFAOYSA-N	1	0	351.491	1.514	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cc1	ZINC000628740660	557679052	/nfs/dbraw/zinc/67/90/52/557679052.db2.gz	UZXIWPKBBLRGND-HNNXBMFYSA-N	1	0	365.499	1.613	20	30		FDEDRO
C=C(C)Cn1c(COCCOC)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C	ZINC000634383432	558457299	/nfs/dbraw/zinc/45/72/99/558457299.db2.gz	ADUIDRRGVMKXDX-HOTGVXAUSA-N	1	0	351.495	1.936	20	30		FDEDRO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1cc(C)nc(C)n1)C(C)C	ZINC000635038232	558560545	/nfs/dbraw/zinc/56/05/45/558560545.db2.gz	KJQPNVRNEJKHQK-INIZCTEOSA-N	1	0	359.474	1.847	20	30		FDEDRO
C=CCCC[C@@H](C)NC(=O)C(=O)N1CCC(CC)([NH+]2CCOCC2)CC1	ZINC000636727482	567982627	/nfs/dbraw/zinc/98/26/27/567982627.db2.gz	XWKYGMXBZIZGQV-QGZVFWFLSA-N	1	0	365.518	1.951	20	30		FDEDRO
CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1CCC(=O)Nc1cccc(C#N)c1	ZINC000481734520	568099792	/nfs/dbraw/zinc/09/97/92/568099792.db2.gz	KXFONXURUMSRRS-IAGOWNOFSA-N	1	0	359.426	1.929	20	30		FDEDRO
CC(C)(CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)N1CCOCC1	ZINC000291700692	568274064	/nfs/dbraw/zinc/27/40/64/568274064.db2.gz	PABHBHJUIHVOQG-INIZCTEOSA-N	1	0	373.457	1.227	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@@H]2C[C@H](F)CN2c2cccnn2)CC1	ZINC000365314470	568486333	/nfs/dbraw/zinc/48/63/33/568486333.db2.gz	MJYPQRDABVFPKJ-HOCLYGCPSA-N	1	0	362.453	1.343	20	30		FDEDRO
C#CC[NH+]1CCC(C(=O)N(CCOC)c2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000735374876	599202814	/nfs/dbraw/zinc/20/28/14/599202814.db2.gz	OBRWHXKGIJIGMV-UHFFFAOYSA-N	1	0	368.441	1.191	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000735397582	598369368	/nfs/dbraw/zinc/36/93/68/598369368.db2.gz	ABJRPSPZVUEYQM-UHFFFAOYSA-N	1	0	355.446	1.706	20	30		FDEDRO
C[NH+]1CCC(C#N)(NC(=O)CSc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000736848106	598699051	/nfs/dbraw/zinc/69/90/51/598699051.db2.gz	YCNWZUUXQOLFJT-UHFFFAOYSA-N	1	0	357.443	1.063	20	30		FDEDRO
C#CC[N@H+](C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)[C@H]1CCc2ccccc21	ZINC000819701440	607442041	/nfs/dbraw/zinc/44/20/41/607442041.db2.gz	HOEHXRLUBSKGKS-KDOFPFPSSA-N	1	0	374.452	1.728	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1	ZINC000272954497	674491909	/nfs/dbraw/zinc/49/19/09/674491909.db2.gz	KPPBRWWNHVZBNM-MRXNPFEDSA-N	1	0	367.515	1.797	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@]2(C)CCC[NH2+]C2)c1	ZINC000273038633	674499095	/nfs/dbraw/zinc/49/90/95/674499095.db2.gz	UPFCZUFZBYOJIH-QGZVFWFLSA-N	1	0	351.472	1.270	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@H]2C)CC1	ZINC000833369428	605048610	/nfs/dbraw/zinc/04/86/10/605048610.db2.gz	XRDSANXVYRGEDB-OAHLLOKOSA-N	1	0	352.479	1.217	20	30		FDEDRO
C[C@@H]1C[N@@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC[C@@H]1N1CC[NH+](C)CC1	ZINC000833625361	605052138	/nfs/dbraw/zinc/05/21/38/605052138.db2.gz	UQDLIYSAWMPYIM-AYOQOUSVSA-N	1	0	356.470	1.642	20	30		FDEDRO
N#Cc1ccc(N2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)s3)CC2)nc1	ZINC000822829870	606417149	/nfs/dbraw/zinc/41/71/49/606417149.db2.gz	MZGPJZPZIGHDLL-UHFFFAOYSA-N	1	0	366.454	1.953	20	30		FDEDRO
C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CCCC(C)(C)C#N	ZINC000820789192	606780424	/nfs/dbraw/zinc/78/04/24/606780424.db2.gz	XLAGOSJKHGFEII-ZDUSSCGKSA-N	1	0	355.450	1.497	20	30		FDEDRO
C[C@@H]([NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1cccc(C#N)c1	ZINC000824565126	608485855	/nfs/dbraw/zinc/48/58/55/608485855.db2.gz	ZQBVVSXDJLGWEA-CYBMUJFWSA-N	1	0	361.409	1.705	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCc2ccc(Cl)nc2)CC1	ZINC000286497590	675896181	/nfs/dbraw/zinc/89/61/81/675896181.db2.gz	KEZNNRLMJQFURT-UHFFFAOYSA-N	1	0	364.877	1.550	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NC[C@H](CO)Cc1cccc(Br)c1	ZINC000277504260	674956528	/nfs/dbraw/zinc/95/65/28/674956528.db2.gz	VUCUDRBHNVCZFI-DGCLKSJQSA-N	1	0	358.280	1.539	20	30		FDEDRO
C=CCSCCNC(=O)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C	ZINC000286488371	675896323	/nfs/dbraw/zinc/89/63/23/675896323.db2.gz	MGVSDAKSFRGZCN-OAHLLOKOSA-N	1	0	353.463	1.580	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(C)C	ZINC000046049186	670989630	/nfs/dbraw/zinc/98/96/30/670989630.db2.gz	PTBUNMBANIXWCF-JKSUJKDBSA-N	1	0	357.520	1.225	20	30		FDEDRO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)C[C@@H](C)c2nccs2)CC1	ZINC000286765900	675904934	/nfs/dbraw/zinc/90/49/34/675904934.db2.gz	UMBXDAJZTGWCRB-CQSZACIVSA-N	1	0	364.515	1.862	20	30		FDEDRO
C=C(C)CNC(NCCS(=O)(=O)N1CCSCC1)=[NH+]C(C)(C)C	ZINC000081739124	671468966	/nfs/dbraw/zinc/46/89/66/671468966.db2.gz	UFJVCTQZMGDLAX-UHFFFAOYSA-N	1	0	362.565	1.275	20	30		FDEDRO
[NH2+]=C(NCC(=O)N1CCC(Cc2ccccc2)CC1)N1CCSCC1	ZINC000083052719	671471022	/nfs/dbraw/zinc/47/10/22/671471022.db2.gz	FMWLXKZJPHMTEC-UHFFFAOYSA-N	1	0	360.527	1.831	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN2C(NC[C@@H](O)c3ccco3)=[NH+]C[C@H]2C1	ZINC000089120455	671491698	/nfs/dbraw/zinc/49/16/98/671491698.db2.gz	COQNRHCJYXCFFN-QWHCGFSZSA-N	1	0	350.419	1.194	20	30		FDEDRO
Cc1ccc(CNC(=O)CON=C(N)C[N@H+]2CCCC[C@H]2C)cc1F	ZINC000106437868	671607146	/nfs/dbraw/zinc/60/71/46/671607146.db2.gz	SNJWDMMGVFRQKB-CQSZACIVSA-N	1	0	350.438	1.914	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)ccc1F	ZINC000108342327	671615901	/nfs/dbraw/zinc/61/59/01/671615901.db2.gz	SQPZEEYGOCPIOI-ZDUSSCGKSA-N	1	0	369.462	1.362	20	30		FDEDRO
CC[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)N1CCSC(C)(C)C1	ZINC000124981759	671743376	/nfs/dbraw/zinc/74/33/76/671743376.db2.gz	NUBPUTDEIFOUFB-ZDUSSCGKSA-N	1	0	362.565	1.061	20	30		FDEDRO
Cc1cccc(NC(=[NH2+])NC[C@@H](O)CS(=O)(=O)c2cccs2)c1	ZINC000130777754	671797704	/nfs/dbraw/zinc/79/77/04/671797704.db2.gz	YLBMPJMMNRCJIP-CYBMUJFWSA-N	1	0	353.469	1.618	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NC[C@H]2CCC[C@H]2NS(C)(=O)=O)cc1Cl	ZINC000134113350	671826213	/nfs/dbraw/zinc/82/62/13/671826213.db2.gz	GQKXMTPLRBUEDC-ZWNOBZJWSA-N	1	0	374.894	1.793	20	30		FDEDRO
C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C)C[C@@H]2C(C)C)c1	ZINC000151296143	671862624	/nfs/dbraw/zinc/86/26/24/671862624.db2.gz	YKRFWSBEMPUHPM-QGZVFWFLSA-N	1	0	363.483	1.010	20	30		FDEDRO
C[NH+]=C(NC[C@H]1CCCO1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1	ZINC000152793890	671890169	/nfs/dbraw/zinc/89/01/69/671890169.db2.gz	CQSUYPIEXBNOHP-MRXNPFEDSA-N	1	0	364.877	1.739	20	30		FDEDRO
C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000163804159	672025658	/nfs/dbraw/zinc/02/56/58/672025658.db2.gz	MVUDNGSIVDKHGG-UHFFFAOYSA-N	1	0	350.394	1.371	20	30		FDEDRO
Cc1cc(S(=O)(=O)NCCNC(=[NH2+])Nc2ccccn2)c(C)s1	ZINC000178767663	672147227	/nfs/dbraw/zinc/14/72/27/672147227.db2.gz	DNZYHAKRSSZTRO-UHFFFAOYSA-N	1	0	353.473	1.465	20	30		FDEDRO
CCOCCCNC(=[NH2+])NCc1ccc(N2CCCS2(=O)=O)cc1	ZINC000185588874	672261934	/nfs/dbraw/zinc/26/19/34/672261934.db2.gz	PLTQPBQPQFQGFN-UHFFFAOYSA-N	1	0	354.476	1.057	20	30		FDEDRO
[NH2+]=C(NCc1ccc(N2CCCS2(=O)=O)c(F)c1)Nc1ccccn1	ZINC000187046625	672279225	/nfs/dbraw/zinc/27/92/25/672279225.db2.gz	HLOYKKOIRFIZEJ-UHFFFAOYSA-N	1	0	363.418	1.687	20	30		FDEDRO
C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1	ZINC000192585688	672356462	/nfs/dbraw/zinc/35/64/62/672356462.db2.gz	PFDIUYOTLPTWNM-HUUCEWRRSA-N	1	0	365.499	1.506	20	30		FDEDRO
COc1ccc([C@@H](CNC(=[NH2+])NC[C@@H]2CCCO2)N(C)C)cc1OC	ZINC000195522059	672408278	/nfs/dbraw/zinc/40/82/78/672408278.db2.gz	SSBAWFHRLPQBPZ-LSDHHAIUSA-N	1	0	350.463	1.390	20	30		FDEDRO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2C[NH3+])ccc1F	ZINC000237847191	672429280	/nfs/dbraw/zinc/42/92/80/672429280.db2.gz	OHUHJEOWQLINLA-ZDUSSCGKSA-N	1	0	355.435	1.243	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1	ZINC000237924080	672430650	/nfs/dbraw/zinc/43/06/50/672430650.db2.gz	QJAOUGWOLKYHDD-GOEBONIOSA-N	1	0	351.472	1.398	20	30		FDEDRO
CC[S@](=O)[C@@H]1CCC[C@@H](NC(NCC2CCN(C(C)=O)CC2)=[NH+]C)C1	ZINC000245746593	672461856	/nfs/dbraw/zinc/46/18/56/672461856.db2.gz	WRFOQSWQCHKASZ-BFIDETRKSA-N	1	0	370.563	1.490	20	30		FDEDRO
C[NH+]=C(NCc1sc(C)nc1C)N1CCN(C[C@H]2CCOC2)CC1	ZINC000261672045	672648157	/nfs/dbraw/zinc/64/81/57/672648157.db2.gz	GWKCXQCKLNALRD-OAHLLOKOSA-N	1	0	351.520	1.489	20	30		FDEDRO
CC[NH+]=C(NCc1cccs1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1	ZINC000261679940	672649671	/nfs/dbraw/zinc/64/96/71/672649671.db2.gz	DAKLESONROUJKM-QGZVFWFLSA-N	1	0	363.487	1.524	20	30		FDEDRO
CC[NH+]=C(NCCN1CCOC[C@@H]1C)N1CCN(c2cccs2)CC1	ZINC000261699521	672654377	/nfs/dbraw/zinc/65/43/77/672654377.db2.gz	FZHVICCJBZAHPH-INIZCTEOSA-N	1	0	365.547	1.556	20	30		FDEDRO
CCc1nsc(N2CCN(C(NC[C@H]3CCCCO3)=[NH+]C)CC2)n1	ZINC000261719503	672657830	/nfs/dbraw/zinc/65/78/30/672657830.db2.gz	IEUVDKBTKPYTCG-CYBMUJFWSA-N	1	0	352.508	1.367	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N(C)CC(=O)NC(C)(C)C	ZINC000261738547	672662116	/nfs/dbraw/zinc/66/21/16/672662116.db2.gz	MGMCYQVXKWRHAG-IMJJTQAJSA-N	1	0	350.507	1.756	20	30		FDEDRO
CCNC(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)=[NH+]CC	ZINC000261770929	672669063	/nfs/dbraw/zinc/66/90/63/672669063.db2.gz	MQHRXIOFKYRVAV-UHFFFAOYSA-N	1	0	352.504	1.662	20	30		FDEDRO
CC[NH+]=C(NCC(C)(C)SC)N1CCC([C@]2(C)NC(=O)NC2=O)CC1	ZINC000261790558	672672813	/nfs/dbraw/zinc/67/28/13/672672813.db2.gz	QGAKHUPSDMMNSQ-KRWDZBQOSA-N	1	0	369.535	1.404	20	30		FDEDRO
C[NH+]=C(NCc1nnc(C)n1C)N[C@H]1CCN(c2ncccc2Cl)C1	ZINC000261820090	672677904	/nfs/dbraw/zinc/67/79/04/672677904.db2.gz	UKLKDKOVYJAGBF-LBPRGKRZSA-N	1	0	362.869	1.116	20	30		FDEDRO
C[NH+]=C(NCC(=O)N1CCCCC1)N1CCN([C@H](C)C(F)(F)F)CC1	ZINC000261880161	672687800	/nfs/dbraw/zinc/68/78/00/672687800.db2.gz	PENYRSHDKWAOCF-CYBMUJFWSA-N	1	0	363.428	1.143	20	30		FDEDRO
[NH2+]=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)NC1CCCC1	ZINC000261882825	672687840	/nfs/dbraw/zinc/68/78/40/672687840.db2.gz	RFZSCBBQBFVVCO-UHFFFAOYSA-N	1	0	350.488	1.818	20	30		FDEDRO
CN(C)C(=[NH+]CC(=O)Nc1ccc(I)cc1)N(C)C	ZINC000261913192	672692547	/nfs/dbraw/zinc/69/25/47/672692547.db2.gz	YUVNMRWQQMCHTM-UHFFFAOYSA-N	1	0	374.226	1.709	20	30		FDEDRO
CC[NH+]=C(NCc1ccc2c(c1)OCO2)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261937524	672697267	/nfs/dbraw/zinc/69/72/67/672697267.db2.gz	CTYBYLMHXZFRFZ-UHFFFAOYSA-N	1	0	367.471	1.390	20	30		FDEDRO
CC[NH+]=C(NC[C@]1(O)CCSC1)N1CCN([C@@H](C)C(F)(F)F)CC1	ZINC000261949974	672699999	/nfs/dbraw/zinc/69/99/99/672699999.db2.gz	YVQYKGQOTBWVRB-GXTWGEPZSA-N	1	0	368.469	1.388	20	30		FDEDRO
C[NH+]=C(NC[C@H](c1cccs1)N(C)C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261951591	672700640	/nfs/dbraw/zinc/70/06/40/672700640.db2.gz	HOJQSNIMIKEATH-CYBMUJFWSA-N	1	0	372.560	1.435	20	30		FDEDRO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261978889	672705647	/nfs/dbraw/zinc/70/56/47/672705647.db2.gz	OJIIACRTOLLSTH-MJBXVCDLSA-N	1	0	355.504	1.028	20	30		FDEDRO
[NH2+]=C(NC[C@@H](c1cccc(F)c1)N1CCOCC1)N1CCSCC1	ZINC000261983831	672707093	/nfs/dbraw/zinc/70/70/93/672707093.db2.gz	JGMHGZDLZHWZMQ-INIZCTEOSA-N	1	0	352.479	1.563	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(N[C@@H]2CCN(C(=O)CC)C2)=[NH+]C)C12CCCC2	ZINC000261992369	672707964	/nfs/dbraw/zinc/70/79/64/672707964.db2.gz	RQEDLQIGZMQJRS-OWCLPIDISA-N	1	0	350.507	1.900	20	30		FDEDRO
C[NH+]=C(NCC1(O)CCCC1)N[C@H]1CCN(c2ncccc2Cl)C1	ZINC000262000681	672709785	/nfs/dbraw/zinc/70/97/85/672709785.db2.gz	UIEUWUDTPARRJC-ZDUSSCGKSA-N	1	0	351.882	1.784	20	30		FDEDRO
Cc1nnc(CNC(N[C@@H]2CCO[C@]3(CCSC3)C2)=[NH+]C2CC2)n1C	ZINC000262006946	672710562	/nfs/dbraw/zinc/71/05/62/672710562.db2.gz	VVAXNNUFFMKOGA-RHSMWYFYSA-N	1	0	364.519	1.376	20	30		FDEDRO
COc1ccc(NC(=[NH2+])NC[C@H]2COC3(CCOCC3)O2)cc1OC	ZINC000262054360	672718466	/nfs/dbraw/zinc/71/84/66/672718466.db2.gz	ASCMDOMTCHVOTP-ZDUSSCGKSA-N	1	0	351.403	1.353	20	30		FDEDRO
C[NH+]=C(NCCNS(=O)(=O)c1cccc(Cl)c1Cl)NC1CC1	ZINC000262087886	672723442	/nfs/dbraw/zinc/72/34/42/672723442.db2.gz	GJWFUZRPHWIWKN-UHFFFAOYSA-N	1	0	365.286	1.599	20	30		FDEDRO
N#Cc1cc(S(=O)(=O)N2CC[C@]3(CC[NH2+]C3)C2)ccc1C(F)(F)F	ZINC000262109917	672727878	/nfs/dbraw/zinc/72/78/78/672727878.db2.gz	UMKQGGPROJCCBX-AWEZNQCLSA-N	1	0	359.373	1.951	20	30		FDEDRO
CCN1CCN(C(N[C@@H](C)c2cccs2)=[NH+]CC(=O)N(C)C)CC1=O	ZINC000262293359	672763499	/nfs/dbraw/zinc/76/34/99/672763499.db2.gz	LTGSUFKGPUNAHZ-ZDUSSCGKSA-N	1	0	365.503	1.007	20	30		FDEDRO
CN(C)C(=O)CNC(NC[C@@H]1CCCO1)=[NH+][C@@H]1CC[C@@H]2CCC[C@@H]2C1	ZINC000262303879	672765698	/nfs/dbraw/zinc/76/56/98/672765698.db2.gz	OHJMTTNVGBPREM-HZMVEIRTSA-N	1	0	350.507	1.758	20	30		FDEDRO
CN(C)C(=O)CNC(NC[C@@H]1COC2(CCCCCC2)O1)=[NH+]C1CC1	ZINC000262308420	672766620	/nfs/dbraw/zinc/76/66/20/672766620.db2.gz	PGNVEFSPRHYJTD-OAHLLOKOSA-N	1	0	352.479	1.238	20	30		FDEDRO
CN(Cc1ccc[nH]1)C(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CCCC1	ZINC000262330466	672771427	/nfs/dbraw/zinc/77/14/27/672771427.db2.gz	ATCOLJISOXWVCJ-CQSZACIVSA-N	1	0	352.504	1.769	20	30		FDEDRO
COCC1(C)CCN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C(C)C)CC1	ZINC000262334372	672772177	/nfs/dbraw/zinc/77/21/77/672772177.db2.gz	BNRQSNKWCONOCO-HNNXBMFYSA-N	1	0	359.536	1.524	20	30		FDEDRO
C[C@H](NC(N[C@H]1CCC(=O)N(C)C1)=[NH+]CC(=O)N(C)C)c1cccs1	ZINC000262337089	672772739	/nfs/dbraw/zinc/77/27/39/672772739.db2.gz	WKANRMRMGQKFMK-STQMWFEESA-N	1	0	365.503	1.053	20	30		FDEDRO
C=C(C)CNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CCC2(C1)CCOCC2	ZINC000262359370	672776235	/nfs/dbraw/zinc/77/62/35/672776235.db2.gz	GMMIINFBZZEPKF-INIZCTEOSA-N	1	0	369.531	1.445	20	30		FDEDRO
CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)NC[C@]1(C)CCCC[C@@H]1O	ZINC000262389569	672781642	/nfs/dbraw/zinc/78/16/42/672781642.db2.gz	LXGVOSHVLKUUNJ-ZOBUZTSGSA-N	1	0	359.536	1.306	20	30		FDEDRO
CC[C@H](C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCOC(C)(C)C1	ZINC000262411571	672785235	/nfs/dbraw/zinc/78/52/35/672785235.db2.gz	PHQXZWDWYYYJRJ-SOUVJXGZSA-N	1	0	359.536	1.712	20	30		FDEDRO
C[NH+]=C(NCc1csc(Br)c1)NC[C@H](O)c1cnn(C)c1	ZINC000262434743	672789074	/nfs/dbraw/zinc/78/90/74/672789074.db2.gz	SBQZYQURAZJLHD-NSHDSACASA-N	1	0	372.292	1.643	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(=[NH+]C)N2CCN(C(=O)C(C)C)CC2)C12CCC2	ZINC000262440612	672789892	/nfs/dbraw/zinc/78/98/92/672789892.db2.gz	UNZYOEGPVWAABZ-JKSUJKDBSA-N	1	0	350.507	1.710	20	30		FDEDRO
O=S1(=O)CC[C@H](CNC(=[NH+]C2CCCC2)N2CC[C@@]3(CCOC3)C2)C1	ZINC000262450522	672791518	/nfs/dbraw/zinc/79/15/18/672791518.db2.gz	VVPJEJHJLCCVGJ-CRAIPNDOSA-N	1	0	369.531	1.422	20	30		FDEDRO
CC1(C)C[C@H](NC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)CCO1	ZINC000262459351	672793509	/nfs/dbraw/zinc/79/35/09/672793509.db2.gz	XFMVPOVTAGDVPZ-GDBMZVCRSA-N	1	0	371.547	1.857	20	30		FDEDRO
C[NH+]=C(NCC(=O)Nc1ccc(F)c(F)c1F)N1CC[C@@H](COC)C1	ZINC000262477905	672796058	/nfs/dbraw/zinc/79/60/58/672796058.db2.gz	QORHBIXDRFLGDT-SNVBAGLBSA-N	1	0	358.364	1.586	20	30		FDEDRO
[NH2+]=C(NCc1nc(C(F)(F)F)n[nH]1)Nc1ccc2c(c1)OCCCO2	ZINC000262509053	672800932	/nfs/dbraw/zinc/80/09/32/672800932.db2.gz	LTTGLQISDWETIS-UHFFFAOYSA-N	1	0	356.308	1.912	20	30		FDEDRO
CC(C)(C)[S@@](=O)CCNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1	ZINC000262516027	672802158	/nfs/dbraw/zinc/80/21/58/672802158.db2.gz	GJSRDTUIEIZDKN-DEOSSOPVSA-N	1	0	354.495	1.810	20	30		FDEDRO
C[NH+]=C(NC[C@H](C)c1ccc(F)cc1F)N1CCN(C2CC2)C(=O)C1	ZINC000262749660	672841190	/nfs/dbraw/zinc/84/11/90/672841190.db2.gz	BNBOYZJPOMZMJG-LBPRGKRZSA-N	1	0	350.413	1.950	20	30		FDEDRO
C[S@@](=O)C1(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)CC1	ZINC000262787438	672849502	/nfs/dbraw/zinc/84/95/02/672849502.db2.gz	MUDWZWFRIHLHJA-HSZRJFAPSA-N	1	0	354.907	1.688	20	30		FDEDRO
C[NH+]=C(NCC1(SC)CCOCC1)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1	ZINC000262815218	672851130	/nfs/dbraw/zinc/85/11/30/672851130.db2.gz	VNAFUGIQXUQFED-LSDHHAIUSA-N	1	0	370.563	1.711	20	30		FDEDRO
C[NH+]=C(NCC1CCN(C(C)=O)CC1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C	ZINC000262809905	672851318	/nfs/dbraw/zinc/85/13/18/672851318.db2.gz	TZYGIXPFJIKSDQ-GVDBMIGSSA-N	1	0	350.507	1.614	20	30		FDEDRO
Cn1cc(I)c(CNC(=[NH2+])N2CCCCCC2)n1	ZINC000263107478	672862747	/nfs/dbraw/zinc/86/27/47/672862747.db2.gz	KSZSSYFDSZFCOL-UHFFFAOYSA-N	1	0	361.231	1.715	20	30		FDEDRO
CC(C)NS(=O)(=O)NCCNC(=[NH2+])Nc1cccc2c1CCCC2	ZINC000263243673	672868239	/nfs/dbraw/zinc/86/82/39/672868239.db2.gz	HCSHYVFEXZUKKG-UHFFFAOYSA-N	1	0	353.492	1.124	20	30		FDEDRO
COC[C@@H](C)NC(=[NH2+])NC[C@H](c1ccccc1Cl)N1CCOCC1	ZINC000264091609	672901202	/nfs/dbraw/zinc/90/12/02/672901202.db2.gz	LCCANWRGPJWQNR-CZUORRHYSA-N	1	0	354.882	1.653	20	30		FDEDRO
CCN(CC)C(=[NH2+])NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1	ZINC000264111804	672901621	/nfs/dbraw/zinc/90/16/21/672901621.db2.gz	RDADDVVMVBCJMQ-OAHLLOKOSA-N	1	0	368.503	1.300	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCc1ccc(F)cc1C(F)(F)F	ZINC000264112170	672901632	/nfs/dbraw/zinc/90/16/32/672901632.db2.gz	PFFSNNWPECTKBT-UHFFFAOYSA-N	1	0	362.371	1.971	20	30		FDEDRO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](c2ccco2)N(C)C)CC1	ZINC000264131905	672902147	/nfs/dbraw/zinc/90/21/47/672902147.db2.gz	UDNWNNMXKDABCF-CQSZACIVSA-N	1	0	351.451	1.408	20	30		FDEDRO
CS[C@@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2)C[C@@H]1[NH+]1CCCC1	ZINC000289102465	676093880	/nfs/dbraw/zinc/09/38/80/676093880.db2.gz	HKCYJNYVXOBQJG-DLBZAZTESA-N	1	0	365.524	1.900	20	30		FDEDRO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1cncc(C#N)c1	ZINC000289383910	676127491	/nfs/dbraw/zinc/12/74/91/676127491.db2.gz	CPXYFQGNVRCNBT-RDTXWAMCSA-N	1	0	356.451	1.752	20	30		FDEDRO
C#Cc1ccc(C[NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)cc1	ZINC000290395370	676202524	/nfs/dbraw/zinc/20/25/24/676202524.db2.gz	OXMIPNFMLBEKNJ-UHFFFAOYSA-N	1	0	362.495	1.731	20	30		FDEDRO
C=CCNC(=O)C[NH2+][C@@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1	ZINC000280999194	675478594	/nfs/dbraw/zinc/47/85/94/675478594.db2.gz	XOHKSTRQKLIGDE-ZDUSSCGKSA-N	1	0	359.879	1.591	20	30		FDEDRO
COc1cc(C[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)ccc1C#N	ZINC000281591059	675533504	/nfs/dbraw/zinc/53/35/04/675533504.db2.gz	FAKLYNHRTJQIBA-INIZCTEOSA-N	1	0	367.471	1.145	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](CC[NH3+])C2)c1	ZINC000282055125	675591688	/nfs/dbraw/zinc/59/16/88/675591688.db2.gz	VRPGLNYIVIXARX-AWEZNQCLSA-N	1	0	351.472	1.352	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000282332587	675623766	/nfs/dbraw/zinc/62/37/66/675623766.db2.gz	QBMKBIYLPVVQHH-SOLBZPMBSA-N	1	0	364.515	1.965	20	30		FDEDRO
CO/N=C/c1ccc(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1	ZINC000282442583	675628818	/nfs/dbraw/zinc/62/88/18/675628818.db2.gz	GOBWLDJLLGOKFC-KHAGQWAKSA-N	1	0	358.364	1.233	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1	ZINC000282433672	675628893	/nfs/dbraw/zinc/62/88/93/675628893.db2.gz	UMUWBGRYTWMPGC-MRXNPFEDSA-N	1	0	368.503	1.203	20	30		FDEDRO
CC[NH+](CC)Cc1cccc(CNS(=O)(=O)N(C)C[C@@H](C)C#N)c1	ZINC000282812335	675642092	/nfs/dbraw/zinc/64/20/92/675642092.db2.gz	KYSRPZNLBHTHNN-HNNXBMFYSA-N	1	0	352.504	1.954	20	30		FDEDRO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H](c1cccs1)[NH+]1CCCC1	ZINC000282989843	675645996	/nfs/dbraw/zinc/64/59/96/675645996.db2.gz	XWQPSYQDROOIQP-ZIAGYGMSSA-N	1	0	356.517	1.811	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(CCOc2ccccc2)CC1	ZINC000283059322	675647971	/nfs/dbraw/zinc/64/79/71/675647971.db2.gz	SYTBFDVFBVRWKC-MRXNPFEDSA-N	1	0	366.487	1.162	20	30		FDEDRO
N#Cc1cc(NC(=O)N2CCN(CCO)CC2)ccc1OC(F)(F)F	ZINC000283069274	675648011	/nfs/dbraw/zinc/64/80/11/675648011.db2.gz	SREGHGQNDOBUSM-UHFFFAOYSA-N	1	0	358.320	1.599	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(C(=O)N(CC)CC)cc1	ZINC000293704650	676361256	/nfs/dbraw/zinc/36/12/56/676361256.db2.gz	DCEVWNOHGQAKCU-UHFFFAOYSA-N	1	0	365.499	1.402	20	30		FDEDRO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(Cl)cc1C(=O)OC	ZINC000293922361	676370504	/nfs/dbraw/zinc/37/05/04/676370504.db2.gz	XZJUGLWMTXHKCR-UHFFFAOYSA-N	1	0	358.847	1.360	20	30		FDEDRO
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2([NH3+])CCC2)cc1	ZINC000295553152	676407450	/nfs/dbraw/zinc/40/74/50/676407450.db2.gz	YKWMICRWNMYBHN-RGEXLXHISA-N	1	0	350.444	1.319	20	30		FDEDRO
C=CCNC(=O)CNC(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C	ZINC000297212481	676425208	/nfs/dbraw/zinc/42/52/08/676425208.db2.gz	DPHGWEVYGAACFN-HNNXBMFYSA-N	1	0	350.488	1.613	20	30		FDEDRO
COC[C@](C)(CCO)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000298693370	676488829	/nfs/dbraw/zinc/48/88/29/676488829.db2.gz	SNKGPLSMGZBQOD-KRWDZBQOSA-N	1	0	351.472	1.814	20	30		FDEDRO
CC(C)(C)OC(=O)N1CCN(CCCNC(=[NH2+])N2CCCCC2)CC1	ZINC000303879962	676543504	/nfs/dbraw/zinc/54/35/04/676543504.db2.gz	JWNKWKOLWVXILA-UHFFFAOYSA-N	1	0	353.511	1.730	20	30		FDEDRO
C[NH+]=C(NCCNc1nc2ccccc2s1)NCCN1CCOCC1	ZINC000303893077	676543720	/nfs/dbraw/zinc/54/37/20/676543720.db2.gz	RQGSZVIVZSDJLU-UHFFFAOYSA-N	1	0	362.503	1.205	20	30		FDEDRO
CCOCCCNC(=[NH2+])NCc1ccc(N2CCC(O)CC2)c(F)c1	ZINC000303893929	676543798	/nfs/dbraw/zinc/54/37/98/676543798.db2.gz	SGAODJLCYJBUIJ-UHFFFAOYSA-N	1	0	352.454	1.618	20	30		FDEDRO
[NH2+]=C(NCCOC[C@H]1CCCO1)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000304739960	676544116	/nfs/dbraw/zinc/54/41/16/676544116.db2.gz	BKSDQAPXDTUVNC-QGZVFWFLSA-N	1	0	366.893	1.972	20	30		FDEDRO
CCc1cccc(NC(=[NH2+])NCCNS(=O)(=O)Cc2ccon2)c1	ZINC000304774444	676544602	/nfs/dbraw/zinc/54/46/02/676544602.db2.gz	BVNMXFPXTUUBJO-UHFFFAOYSA-N	1	0	351.432	1.083	20	30		FDEDRO
CC(C)C(=O)NCCCNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000305312140	676545078	/nfs/dbraw/zinc/54/50/78/676545078.db2.gz	RJBARSKJKKADFK-UHFFFAOYSA-N	1	0	355.483	1.016	20	30		FDEDRO
C[NH+]=C(NCCc1csc(C(C)(C)C)n1)NCCN1CCOCC1	ZINC000305722232	676545225	/nfs/dbraw/zinc/54/52/25/676545225.db2.gz	PSQHMQQVPYPIOV-UHFFFAOYSA-N	1	0	353.536	1.480	20	30		FDEDRO
[NH2+]=C(NCCCN1CCOCC1)NCC1(c2ccccc2Cl)CC1	ZINC000305766090	676545320	/nfs/dbraw/zinc/54/53/20/676545320.db2.gz	ZSPAKXFZEPRFRH-UHFFFAOYSA-N	1	0	350.894	1.998	20	30		FDEDRO
C#CCN(C)CCC[NH2+]C[C@H](O)COc1cccc(Br)c1	ZINC000328220553	676598085	/nfs/dbraw/zinc/59/80/85/676598085.db2.gz	ZSOSLWCTCIMPDN-HNNXBMFYSA-N	1	0	355.276	1.734	20	30		FDEDRO
CCN1CCCC[C@@H]1CNC(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21	ZINC000328609503	676599878	/nfs/dbraw/zinc/59/98/78/676599878.db2.gz	MVHJRKAZSVGFSY-OWCLPIDISA-N	1	0	357.520	1.816	20	30		FDEDRO
O=C(CN1CCOCC12CC2)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000328683503	676602182	/nfs/dbraw/zinc/60/21/82/676602182.db2.gz	DNECKSLOELXBAN-UHFFFAOYSA-N	1	0	351.491	1.843	20	30		FDEDRO
C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+]2CCC[C@H]2C1	ZINC000328721933	676604152	/nfs/dbraw/zinc/60/41/52/676604152.db2.gz	XELWCRVSGPYBDD-CABCVRRESA-N	1	0	365.503	1.041	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H]2CCC(=O)NC2(C)C)CC1	ZINC000328760670	676605806	/nfs/dbraw/zinc/60/58/06/676605806.db2.gz	XQMPBXCKDAIXBT-HUUCEWRRSA-N	1	0	353.511	1.661	20	30		FDEDRO
C[C@@H]1CN(Cc2csc(NC(=O)N3CCC[N@H+](C)CC3)n2)C[C@@H](C)O1	ZINC000328840979	676609191	/nfs/dbraw/zinc/60/91/91/676609191.db2.gz	OMVSAADTHMEFGA-ZIAGYGMSSA-N	1	0	367.519	1.935	20	30		FDEDRO
C[C@H](C(=O)NC(=O)NC1CC1)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000328945074	676613274	/nfs/dbraw/zinc/61/32/74/676613274.db2.gz	LYRDXLWKBCNUNE-IIAWOOMASA-N	1	0	351.495	1.366	20	30		FDEDRO
COC[C@@H]1C[C@H](OC)CN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000328970748	676614547	/nfs/dbraw/zinc/61/45/47/676614547.db2.gz	BGQMNDWPJYQUDL-MWDXBVQZSA-N	1	0	355.479	1.014	20	30		FDEDRO
CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CCOC3(CCOCC3)C2)[N@H+](C)C1	ZINC000329097492	676619895	/nfs/dbraw/zinc/61/98/95/676619895.db2.gz	YNWRDDJVMDLLJL-JYJNAYRXSA-N	1	0	355.479	1.280	20	30		FDEDRO
C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@@H]3CCO[C@]4(CCOC4)C3)C2)CC1	ZINC000329097420	676619907	/nfs/dbraw/zinc/61/99/07/676619907.db2.gz	CEZQQOBYHPTKBJ-ZHALLVOQSA-N	1	0	351.491	1.902	20	30		FDEDRO
CC(C)N1C(=O)N[C@@H]2CN(C(=O)NCC[N@H+](C)C3CCCC3)CC[C@@H]21	ZINC000329110319	676620559	/nfs/dbraw/zinc/62/05/59/676620559.db2.gz	GIUOBUJWNZUARO-CVEARBPZSA-N	1	0	351.495	1.856	20	30		FDEDRO
C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1nc(CN2CCOCC2)cs1	ZINC000329117049	676620889	/nfs/dbraw/zinc/62/08/89/676620889.db2.gz	UHKZBEXRWZDGPN-HIFRSBDPSA-N	1	0	365.503	1.689	20	30		FDEDRO
O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)N1CC[NH+](C2CCOCC2)CC1	ZINC000329150335	676622730	/nfs/dbraw/zinc/62/27/30/676622730.db2.gz	RLCQEXFJVYLBCI-QAPCUYQASA-N	1	0	353.463	1.035	20	30		FDEDRO
CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C)[C@H](c2nc(C)no2)C1	ZINC000329151110	676622738	/nfs/dbraw/zinc/62/27/38/676622738.db2.gz	ZXTLAKYKCKCNRD-CABCVRRESA-N	1	0	350.467	1.455	20	30		FDEDRO
CC(=O)N1CCC[C@](O)(C(=O)NC2CC[NH+](CC3CCCC3)CC2)C1	ZINC000329149338	676622809	/nfs/dbraw/zinc/62/28/09/676622809.db2.gz	YTZRYULBTAEHIS-LJQANCHMSA-N	1	0	351.491	1.971	20	30		FDEDRO
C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)CCO1	ZINC000329186834	676624040	/nfs/dbraw/zinc/62/40/40/676624040.db2.gz	QQEQYHBBHPRMJO-GDBMZVCRSA-N	1	0	352.479	1.096	20	30		FDEDRO
Cc1noc(C2CCN(C(=O)N[C@H](C)CN3CC[NH+](C)CC3)CC2)n1	ZINC000329203044	676625186	/nfs/dbraw/zinc/62/51/86/676625186.db2.gz	YGYBAZAYWAEFNY-CYBMUJFWSA-N	1	0	350.467	1.107	20	30		FDEDRO
C[NH+](C)C1(CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CCCC1	ZINC000329232378	676627119	/nfs/dbraw/zinc/62/71/19/676627119.db2.gz	FZPPBRTYELPJSC-LSDHHAIUSA-N	1	0	353.463	1.224	20	30		FDEDRO
C[C@H](CNC(=O)N1CC[C@@H](C(=O)N2CCCC2)C1)C[NH+]1CCCCC1	ZINC000329236012	676627328	/nfs/dbraw/zinc/62/73/28/676627328.db2.gz	NZCLRGYZKVLIOA-IAGOWNOFSA-N	1	0	350.507	1.967	20	30		FDEDRO
Cc1nc([C@@H]2CN(C(=O)NC[C@@]3([NH+](C)C)CCSC3)CCO2)no1	ZINC000329267309	676629788	/nfs/dbraw/zinc/62/97/88/676629788.db2.gz	DFEVOQZSGZRCJN-WFASDCNBSA-N	1	0	355.464	1.103	20	30		FDEDRO
C[C@H]1CCC[N@H+](CCNC(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1	ZINC000329298263	676631779	/nfs/dbraw/zinc/63/17/79/676631779.db2.gz	UEUGLNXIFIGQSY-LSDHHAIUSA-N	1	0	372.535	1.179	20	30		FDEDRO
O=C(NCC1([NH+]2CCCC2)CCOCC1)C1(N2CCOCC2)CCC1	ZINC000329323915	676633160	/nfs/dbraw/zinc/63/31/60/676633160.db2.gz	HTJGHIKBDGMMKT-UHFFFAOYSA-N	1	0	351.491	1.843	20	30		FDEDRO
CC(C)N1C(=O)C[C@H](NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1=O	ZINC000329382855	676636441	/nfs/dbraw/zinc/63/64/41/676636441.db2.gz	OHKWJIFVENRMOX-KBPBESRZSA-N	1	0	353.488	1.696	20	30		FDEDRO
CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)C1	ZINC000329499177	676641547	/nfs/dbraw/zinc/64/15/47/676641547.db2.gz	XZUWFKGMQRDRJZ-IAGOWNOFSA-N	1	0	350.507	1.967	20	30		FDEDRO
Cc1nc([C@@H]2CN(C(=O)NC[C@@H]3CCC[N@@H+](C(C)C)C3)CCO2)no1	ZINC000329533432	676642903	/nfs/dbraw/zinc/64/29/03/676642903.db2.gz	YAGNLOWHCRKRSA-GJZGRUSLSA-N	1	0	351.451	1.786	20	30		FDEDRO
Cc1nnc([C@H](C)NC(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)s1	ZINC000329566692	676644442	/nfs/dbraw/zinc/64/44/42/676644442.db2.gz	KWZLZZJTFQALAU-DZGCQCFKSA-N	1	0	366.535	1.923	20	30		FDEDRO
C[C@H](NC(=O)CN1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C)C(=O)N1CCCCC1	ZINC000329630579	676646925	/nfs/dbraw/zinc/64/69/25/676646925.db2.gz	HYXIGIZBDNYIFD-ULQDDVLXSA-N	1	0	350.507	1.903	20	30		FDEDRO
O=C(CN1CCSC[C@H]1CO)NC(=O)Nc1ccc2c(c1)OCCO2	ZINC000329642953	676647611	/nfs/dbraw/zinc/64/76/11/676647611.db2.gz	ITTVEUILDGNOQY-GFCCVEGCSA-N	1	0	367.427	1.370	20	30		FDEDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)CC1	ZINC000329651420	676648054	/nfs/dbraw/zinc/64/80/54/676648054.db2.gz	KUBDPPZCBUBGNP-BZUAXINKSA-N	1	0	351.495	1.225	20	30		FDEDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O	ZINC000329694707	676649876	/nfs/dbraw/zinc/64/98/76/676649876.db2.gz	CUVXTYIWQLIBPT-XMTFNYHQSA-N	1	0	352.523	1.552	20	30		FDEDRO
O=C(NC[C@H]1CCCCS1(=O)=O)N1CCC[C@H]1C[NH+]1CCCCC1	ZINC000329765042	676653895	/nfs/dbraw/zinc/65/38/95/676653895.db2.gz	WMZNQEZVUUCGHV-JKSUJKDBSA-N	1	0	357.520	1.818	20	30		FDEDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)C[C@H]1C	ZINC000329769293	676654490	/nfs/dbraw/zinc/65/44/90/676654490.db2.gz	FGIFIXYGAVMBQT-JYYAWHABSA-N	1	0	357.520	1.342	20	30		FDEDRO
O=C(NCCc1cn2c(n1)SCC2)N1CC[NH+](C2CCOCC2)CC1	ZINC000329809774	676658044	/nfs/dbraw/zinc/65/80/44/676658044.db2.gz	BFJAWMHLPABKGQ-UHFFFAOYSA-N	1	0	365.503	1.242	20	30		FDEDRO
O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)N1CCO[C@H](CO)C1	ZINC000329892503	676662561	/nfs/dbraw/zinc/66/25/61/676662561.db2.gz	AALSPZMTGFUSHI-RUXDESIVSA-N	1	0	365.396	1.399	20	30		FDEDRO
CN(CC(=O)NCC[N@@H+]1CCCC(C)(C)C1)S(=O)(=O)c1cccnc1	ZINC000329940331	676664744	/nfs/dbraw/zinc/66/47/44/676664744.db2.gz	GELQOAQYSWBRPX-UHFFFAOYSA-N	1	0	368.503	1.781	20	30		FDEDRO
CCO[C@@H]1C[C@H](NC(=O)N2CCO[C@H](C[NH+](C)C)C2)C12CCOCC2	ZINC000329953433	676665533	/nfs/dbraw/zinc/66/55/33/676665533.db2.gz	JIHPGDGBRPVLGP-OWCLPIDISA-N	1	0	355.479	1.137	20	30		FDEDRO
CN1C[C@@H](NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1=O	ZINC000329986174	676667404	/nfs/dbraw/zinc/66/74/04/676667404.db2.gz	RRKOWXKXNRXFQP-HNNXBMFYSA-N	1	0	352.479	1.003	20	30		FDEDRO
C[C@@H]1C[NH+](CCC2CCN(C(=O)N[C@H]3[C@@H]4COC[C@@H]43)CC2)C[C@@H](C)O1	ZINC000330010948	676668613	/nfs/dbraw/zinc/66/86/13/676668613.db2.gz	HLEFQHLSRIVCLM-XQZMSQOBSA-N	1	0	351.491	1.757	20	30		FDEDRO
CC(C)(CNC(=O)N1CCCN(C(=O)C2CC2)CC1)C[NH+]1CCCC1	ZINC000330039040	676669843	/nfs/dbraw/zinc/66/98/43/676669843.db2.gz	BPJIDRYSKNKBPS-UHFFFAOYSA-N	1	0	350.507	1.967	20	30		FDEDRO
C[C@H](CO[C@H]1CCOC1)NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C	ZINC000330200484	676678067	/nfs/dbraw/zinc/67/80/67/676678067.db2.gz	AHRKSBZHZSPRSS-INMHGKMJSA-N	1	0	355.479	1.280	20	30		FDEDRO
Cc1nc(C(C)(C)NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)no1	ZINC000330233798	676679790	/nfs/dbraw/zinc/67/97/90/676679790.db2.gz	SIDTWYYFWNUIAT-ZIAGYGMSSA-N	1	0	351.451	1.495	20	30		FDEDRO
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1	ZINC000330252529	676681164	/nfs/dbraw/zinc/68/11/64/676681164.db2.gz	IKDPXCCYUXNBKG-QEJZJMRPSA-N	1	0	354.451	1.168	20	30		FDEDRO
C[C@@H]1Cc2cc(C(=O)NC[C@](C)(O)C[NH+](C)C)ccc2N1S(C)(=O)=O	ZINC000330385864	676687925	/nfs/dbraw/zinc/68/79/25/676687925.db2.gz	UGTYUGXEVJBIMI-PXAZEXFGSA-N	1	0	369.487	1.014	20	30		FDEDRO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2coc(S(=O)(=O)N(C)C)c2)C1	ZINC000330470239	676692197	/nfs/dbraw/zinc/69/21/97/676692197.db2.gz	AIQPAZJXDRFAKR-CQSZACIVSA-N	1	0	373.475	1.191	20	30		FDEDRO
CC[NH+](CC)C[C@@H](C)NC(=O)N1CCC(C(=O)N2CCOCC2)CC1	ZINC000330634552	676699033	/nfs/dbraw/zinc/69/90/33/676699033.db2.gz	LPWJWCWMQFZKKE-OAHLLOKOSA-N	1	0	354.495	1.202	20	30		FDEDRO
CNC(=O)c1ccc(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1Cl	ZINC000330723072	676702057	/nfs/dbraw/zinc/70/20/57/676702057.db2.gz	GEERIXMNKZONGL-GFCCVEGCSA-N	1	0	353.854	1.846	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1	ZINC000330726793	676702291	/nfs/dbraw/zinc/70/22/91/676702291.db2.gz	FONKBLYTUNTEDR-MJBXVCDLSA-N	1	0	364.471	1.929	20	30		FDEDRO
Cc1ccc(NC(=O)N2CCC([N@H+](C)CCO)CC2)cc1S(C)(=O)=O	ZINC000330910322	676709933	/nfs/dbraw/zinc/70/99/33/676709933.db2.gz	PKLHSFDCDRSEOX-UHFFFAOYSA-N	1	0	369.487	1.333	20	30		FDEDRO
Cc1ccc(NC(=O)N2C[C@H](CO)O[C@@H](C)C2)c(OCC[NH+](C)C)c1	ZINC000330990804	676712948	/nfs/dbraw/zinc/71/29/48/676712948.db2.gz	SHSPQLZRNCMWFS-LSDHHAIUSA-N	1	0	351.447	1.563	20	30		FDEDRO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1	ZINC000331248852	676723926	/nfs/dbraw/zinc/72/39/26/676723926.db2.gz	UUJAHIKLBOGFCZ-ACJLOTCBSA-N	1	0	350.463	1.314	20	30		FDEDRO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C[C@@H]2[C@@H](C)O)CC1	ZINC000331278270	676725443	/nfs/dbraw/zinc/72/54/43/676725443.db2.gz	GUOCYXYNIPIXBD-BRSBDYLESA-N	1	0	350.507	1.160	20	30		FDEDRO
CN1CC[NH+](CC2(C)CCN(S(=O)(=O)CC(C)(C)CC#N)CC2)CC1	ZINC000331309492	676726744	/nfs/dbraw/zinc/72/67/44/676726744.db2.gz	HDDDQMJPKRUQBX-UHFFFAOYSA-N	1	0	370.563	1.606	20	30		FDEDRO
C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1cn(C)nc1C(F)(F)F	ZINC000331335679	676727850	/nfs/dbraw/zinc/72/78/50/676727850.db2.gz	XYAZDYNSAKSULI-SNVBAGLBSA-N	1	0	363.384	1.761	20	30		FDEDRO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCSC(C)(C)CC2)CC1	ZINC000332252105	676738380	/nfs/dbraw/zinc/73/83/80/676738380.db2.gz	ASFSPDGIOYKUSD-INIZCTEOSA-N	1	0	352.548	1.896	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H](C[NH+]2CCCCCC2)C1	ZINC000332249192	676738503	/nfs/dbraw/zinc/73/85/03/676738503.db2.gz	XQDKYEYXQMLYFZ-DLBZAZTESA-N	1	0	350.507	1.975	20	30		FDEDRO
C=CCN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCS(=O)(=O)C1	ZINC000362858243	676925751	/nfs/dbraw/zinc/92/57/51/676925751.db2.gz	ATUGXQAPYFRFDK-NVXWUHKLSA-N	1	0	354.516	1.843	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)N2CCC3(CC2)SCC(=O)N3C)CC1	ZINC000363996588	676984044	/nfs/dbraw/zinc/98/40/44/676984044.db2.gz	IPSHOGZTCRQAON-UHFFFAOYSA-N	1	0	352.504	1.344	20	30		FDEDRO
O=C(NCC#Cc1ccccc1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000416946178	679735703	/nfs/dbraw/zinc/73/57/03/679735703.db2.gz	NSMSXEMQXRBQEG-OAHLLOKOSA-N	1	0	354.376	1.173	20	30		FDEDRO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN2CCOC[C@@H]2C1)C(C)C	ZINC000364883132	677059712	/nfs/dbraw/zinc/05/97/12/677059712.db2.gz	OHEDQWCHPXEIQW-ZWKOTPCHSA-N	1	0	350.507	1.411	20	30		FDEDRO
COCCC[N@@H+]1CCCN(S(=O)(=O)c2ccc(C#N)c(C)c2)CC1	ZINC000365536763	677362311	/nfs/dbraw/zinc/36/23/11/677362311.db2.gz	UFRDZCZQFGHKPV-UHFFFAOYSA-N	1	0	351.472	1.600	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1	ZINC000366697606	677460912	/nfs/dbraw/zinc/46/09/12/677460912.db2.gz	HQGQYPQWAHMGTQ-SQNIBIBYSA-N	1	0	350.507	1.389	20	30		FDEDRO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1	ZINC000366697602	677460917	/nfs/dbraw/zinc/46/09/17/677460917.db2.gz	HQGQYPQWAHMGTQ-KSZLIROESA-N	1	0	350.507	1.389	20	30		FDEDRO
C[C@@H]1CN(CC(=O)Nc2sccc2C#N)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000367029482	677480295	/nfs/dbraw/zinc/48/02/95/677480295.db2.gz	MFZCWKMQXIKOMW-GDBMZVCRSA-N	1	0	361.515	1.516	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCCCC1	ZINC000367124116	677488317	/nfs/dbraw/zinc/48/83/17/677488317.db2.gz	CGVCCTVQMDRHTG-QGZVFWFLSA-N	1	0	372.535	1.434	20	30		FDEDRO
COCCN(CCC#N)S(=O)(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1	ZINC000369118944	677503249	/nfs/dbraw/zinc/50/32/49/677503249.db2.gz	XCVAYTRHPKTBPD-HNNXBMFYSA-N	1	0	358.508	1.042	20	30		FDEDRO
C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1	ZINC000369914419	677527193	/nfs/dbraw/zinc/52/71/93/677527193.db2.gz	VWGZVOPNRNAVBR-KRWDZBQOSA-N	1	0	371.547	1.885	20	30		FDEDRO
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1	ZINC000370526694	677587745	/nfs/dbraw/zinc/58/77/45/677587745.db2.gz	FTTOHVVRSVYCLT-RDJZCZTQSA-N	1	0	365.503	1.219	20	30		FDEDRO
N#Cc1ccc(Cl)cc1N1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1	ZINC000372995213	678005328	/nfs/dbraw/zinc/00/53/28/678005328.db2.gz	IJCOURWPQFHYHG-HNNXBMFYSA-N	1	0	353.875	1.957	20	30		FDEDRO
CCN(C[C@H](C)C#N)S(=O)(=O)N(C)C1CCN(c2cc[nH+]cc2)CC1	ZINC000374409747	678078644	/nfs/dbraw/zinc/07/86/44/678078644.db2.gz	PHGUYVYAGONUPL-OAHLLOKOSA-N	1	0	365.503	1.709	20	30		FDEDRO
C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1	ZINC000374536101	678085374	/nfs/dbraw/zinc/08/53/74/678085374.db2.gz	IBVBGIQAZNIPJQ-RDJZCZTQSA-N	1	0	365.503	1.362	20	30		FDEDRO
C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1	ZINC000374542297	678086335	/nfs/dbraw/zinc/08/63/35/678086335.db2.gz	FIUUPJAROLFJNJ-MRXNPFEDSA-N	1	0	356.536	1.909	20	30		FDEDRO
C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)CC1	ZINC000374655122	678089100	/nfs/dbraw/zinc/08/91/00/678089100.db2.gz	LRBSWVXANHCRKR-DOTOQJQBSA-N	1	0	351.491	1.504	20	30		FDEDRO
C[C@@H]1CCOCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000376151771	678232446	/nfs/dbraw/zinc/23/24/46/678232446.db2.gz	PUIFFVCQPDRWEA-HZPDHXFCSA-N	1	0	362.499	1.568	20	30		FDEDRO
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000378307121	678736851	/nfs/dbraw/zinc/73/68/51/678736851.db2.gz	PHKGRPYXBYXQSN-MAUKXSAKSA-N	1	0	362.499	1.205	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000409489842	678849934	/nfs/dbraw/zinc/84/99/34/678849934.db2.gz	BWLJLXQEBFTILZ-WMZOPIPTSA-N	1	0	364.515	1.919	20	30		FDEDRO
CCN(CCC#N)S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000409501261	678853384	/nfs/dbraw/zinc/85/33/84/678853384.db2.gz	LIOHCNKTANQJJV-SJLPKXTDSA-N	1	0	364.515	1.967	20	30		FDEDRO
CC[NH+](CC)[C@@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)c1ccccc1	ZINC000409533804	678854996	/nfs/dbraw/zinc/85/49/96/678854996.db2.gz	HSKPWIJZNDWROE-IRXDYDNUSA-N	1	0	366.487	1.128	20	30		FDEDRO
CCN(C[C@@H](C)C#N)S(=O)(=O)NCC1([NH+](C)C)Cc2ccccc2C1	ZINC000410159174	678888114	/nfs/dbraw/zinc/88/81/14/678888114.db2.gz	MRRJTYOQORKNMG-HNNXBMFYSA-N	1	0	364.515	1.402	20	30		FDEDRO
C=CCCCN(C)C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1	ZINC000410692755	678938261	/nfs/dbraw/zinc/93/82/61/678938261.db2.gz	YRPQDPNBEJFBLW-UHFFFAOYSA-N	1	0	351.491	1.514	20	30		FDEDRO
C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1	ZINC000411395707	679027634	/nfs/dbraw/zinc/02/76/34/679027634.db2.gz	ZINSMEUVSFQKSH-LBPRGKRZSA-N	1	0	350.394	1.323	20	30		FDEDRO
CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1	ZINC000411397981	679027827	/nfs/dbraw/zinc/02/78/27/679027827.db2.gz	NJAJQECCDMOOIY-GFCCVEGCSA-N	1	0	350.394	1.513	20	30		FDEDRO
C[C@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1	ZINC000411397005	679027834	/nfs/dbraw/zinc/02/78/34/679027834.db2.gz	LBFJECWXYAQEEN-GFCCVEGCSA-N	1	0	350.394	1.465	20	30		FDEDRO
N#Cc1ccc(NC(=O)CC[NH2+][C@@H](CO)C2CCOCC2)cc1Cl	ZINC000411506362	679044608	/nfs/dbraw/zinc/04/46/08/679044608.db2.gz	PQSWVNFMSFUEHH-INIZCTEOSA-N	1	0	351.834	1.917	20	30		FDEDRO
COC(=O)[C@H]1CSCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000412066442	679149790	/nfs/dbraw/zinc/14/97/90/679149790.db2.gz	DCEMGSLGIDHEFQ-HUUCEWRRSA-N	1	0	350.440	1.136	20	30		FDEDRO
N#CCCC[C@H]([NH3+])C(=O)NCc1nc2cc(Br)cnc2[nH]1	ZINC000424139097	680830638	/nfs/dbraw/zinc/83/06/38/680830638.db2.gz	DWIXWDMFASLSPH-VIFPVBQESA-N	1	0	351.208	1.358	20	30		FDEDRO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1	ZINC000414892587	679372781	/nfs/dbraw/zinc/37/27/81/679372781.db2.gz	JITGWQUUCYJGGO-UONOGXRCSA-N	1	0	366.487	1.694	20	30		FDEDRO
C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1	ZINC000415301286	679405249	/nfs/dbraw/zinc/40/52/49/679405249.db2.gz	QCXJKGYJVGEZMO-LLVKDONJSA-N	1	0	351.204	1.080	20	30		FDEDRO
C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000415342564	679411582	/nfs/dbraw/zinc/41/15/82/679411582.db2.gz	RBZBIRLDTRUOCU-SECBINFHSA-N	1	0	351.204	1.080	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](C[NH3+])C(C)(C)C)cc1	ZINC000415595564	679461187	/nfs/dbraw/zinc/46/11/87/679461187.db2.gz	HJSUSUVSKQECHS-BXUZGUMPSA-N	1	0	352.460	1.867	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC[C@@H]2CCC[NH2+]C2)cc1	ZINC000415596659	679461457	/nfs/dbraw/zinc/46/14/57/679461457.db2.gz	IEXRLJRUEZPHOJ-KBPBESRZSA-N	1	0	364.471	1.884	20	30		FDEDRO
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc1	ZINC000415599048	679461905	/nfs/dbraw/zinc/46/19/05/679461905.db2.gz	LVJBPOXAMYMWEB-MGPQQGTHSA-N	1	0	364.471	1.821	20	30		FDEDRO
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@](C)(C[NH3+])C2CC2)cc1	ZINC000415601574	679462678	/nfs/dbraw/zinc/46/26/78/679462678.db2.gz	PSHIBKXSURPMRJ-ZBEGNZNMSA-N	1	0	350.444	1.621	20	30		FDEDRO
COC[C@]1(CNC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CCC[NH2+]1	ZINC000415707989	679483495	/nfs/dbraw/zinc/48/34/95/679483495.db2.gz	NCLXXKVSFITXDX-QGZVFWFLSA-N	1	0	364.833	1.229	20	30		FDEDRO
COC[C@@]1(CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)CCC[NH2+]1	ZINC000415712782	679484223	/nfs/dbraw/zinc/48/42/23/679484223.db2.gz	VVITWNHBVYABDS-INIZCTEOSA-N	1	0	350.806	1.035	20	30		FDEDRO
C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000415736030	679489025	/nfs/dbraw/zinc/48/90/25/679489025.db2.gz	ZNNPFLUHFXAAPF-KWQFWETISA-N	1	0	356.304	1.343	20	30		FDEDRO
CC1(C)CN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC[NH2+]1	ZINC000415814344	679512346	/nfs/dbraw/zinc/51/23/46/679512346.db2.gz	IGMYJEBGRVOMGV-UHFFFAOYSA-N	1	0	354.332	1.726	20	30		FDEDRO
N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1	ZINC000415823631	679515128	/nfs/dbraw/zinc/51/51/28/679515128.db2.gz	TWYNJKXEYIUXGM-KGLIPLIRSA-N	1	0	360.845	1.998	20	30		FDEDRO
N#Cc1cc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1Cl	ZINC000415852387	679526429	/nfs/dbraw/zinc/52/64/29/679526429.db2.gz	JOFOVXYALZKABI-OLZOCXBDSA-N	1	0	360.845	1.998	20	30		FDEDRO
CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F	ZINC000416044738	679548574	/nfs/dbraw/zinc/54/85/74/679548574.db2.gz	MNUXQBUNPGJUSK-AWEZNQCLSA-N	1	0	358.364	1.996	20	30		FDEDRO
C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1	ZINC000419712342	680333285	/nfs/dbraw/zinc/33/32/85/680333285.db2.gz	PBRUEVDYQFISMS-NEPJUHHUSA-N	1	0	361.261	1.530	20	30		FDEDRO
C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000420421129	680444142	/nfs/dbraw/zinc/44/41/42/680444142.db2.gz	FPHNJZLDKWMXAY-RNCFNFMXSA-N	1	0	358.261	1.597	20	30		FDEDRO
CN(CCC#N)S(=O)(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1	ZINC000420477141	680468780	/nfs/dbraw/zinc/46/87/80/680468780.db2.gz	ZCXCKNWDXGYNFV-GOEBONIOSA-N	1	0	354.451	1.199	20	30		FDEDRO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1	ZINC000421017704	680589046	/nfs/dbraw/zinc/58/90/46/680589046.db2.gz	LYICEKQIYYUGPO-MELADBBJSA-N	1	0	353.463	1.686	20	30		FDEDRO
C=CCn1cc(CNC(=O)N2CCC(OCCC[NH+](C)C)CC2)nn1	ZINC000425865810	680937420	/nfs/dbraw/zinc/93/74/20/680937420.db2.gz	BEXCYGUYRLYBCX-UHFFFAOYSA-N	1	0	350.467	1.106	20	30		FDEDRO
C=C(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C	ZINC000435587406	681607714	/nfs/dbraw/zinc/60/77/14/681607714.db2.gz	CQDCAFYSJDVAAD-HZPDHXFCSA-N	1	0	370.519	1.321	20	30		FDEDRO
C[C@@]1(n2cc(C[NH2+]CC3CCC(C#N)CC3)cn2)CCS(=O)(=O)C1	ZINC000441347795	682071356	/nfs/dbraw/zinc/07/13/56/682071356.db2.gz	MFWXDRAJFFRJFI-VMBOVVBDSA-N	1	0	350.488	1.836	20	30		FDEDRO
N#CCCCCS(=O)(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000443231654	682256335	/nfs/dbraw/zinc/25/63/35/682256335.db2.gz	PLBPYVCBMACMTR-KRWDZBQOSA-N	1	0	351.472	1.237	20	30		FDEDRO
N#Cc1nc(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)ccc1C(F)(F)F	ZINC000443512568	682315559	/nfs/dbraw/zinc/31/55/59/682315559.db2.gz	SVVDVYJCVRMHLR-LLVKDONJSA-N	1	0	355.364	1.971	20	30		FDEDRO
N#Cc1c(NC(=O)C[NH2+][C@H](CO)[C@H]2CCCO2)sc2c1CCCCC2	ZINC000447916089	682578300	/nfs/dbraw/zinc/57/83/00/682578300.db2.gz	NZVPBRJRRJRNFL-HUUCEWRRSA-N	1	0	363.483	1.957	20	30		FDEDRO
C[C@@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000448176683	682599586	/nfs/dbraw/zinc/59/95/86/682599586.db2.gz	JHRFJCYAUVGAOS-ABAIWWIYSA-N	1	0	352.416	1.652	20	30		FDEDRO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1	ZINC000449636598	682692519	/nfs/dbraw/zinc/69/25/19/682692519.db2.gz	DRITZGAHKHBHFM-DZGCQCFKSA-N	1	0	351.472	1.398	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)c1	ZINC000449697001	682701264	/nfs/dbraw/zinc/70/12/64/682701264.db2.gz	LIEUGWDZVMVMSY-OAHLLOKOSA-N	1	0	351.472	1.269	20	30		FDEDRO
CC[NH+](CC)CCN(C(=O)c1cc(C#N)[nH]c1C)[C@H]1CCS(=O)(=O)C1	ZINC000450377155	682756469	/nfs/dbraw/zinc/75/64/69/682756469.db2.gz	KPOOBRWXQKUPFY-HNNXBMFYSA-N	1	0	366.487	1.166	20	30		FDEDRO
C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(S(=O)(=O)CC(C)(C)CC#N)CC1	ZINC000451142002	682826800	/nfs/dbraw/zinc/82/68/00/682826800.db2.gz	DAXQIYXQJKSMSO-IRXDYDNUSA-N	1	0	370.563	1.746	20	30		FDEDRO
CC1CC[NH+](C[C@H](O)CNS(=O)(=O)Cc2ccc(F)cc2C#N)CC1	ZINC000451231648	682847213	/nfs/dbraw/zinc/84/72/13/682847213.db2.gz	TVPYSSCWZNHBLK-QGZVFWFLSA-N	1	0	369.462	1.210	20	30		FDEDRO
COC[C@@]1(C(=O)OC)CCN(CC(=O)Nc2cc(Cl)ccc2C#N)C1	ZINC000451330294	682862247	/nfs/dbraw/zinc/86/22/47/682862247.db2.gz	AFEYSTBJQCTYQV-QGZVFWFLSA-N	1	0	365.817	1.662	20	30		FDEDRO
N#Cc1cc(Br)ccc1C(=O)NC[C@H]1CCC[N@H+]1CCCO	ZINC000452786333	683119295	/nfs/dbraw/zinc/11/92/95/683119295.db2.gz	XIJZCCCWTWVEBS-CQSZACIVSA-N	1	0	366.259	1.897	20	30		FDEDRO
C[C@H](CNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1)C[NH+]1CCCCC1	ZINC000453613872	683169854	/nfs/dbraw/zinc/16/98/54/683169854.db2.gz	CCRYXQGJCOOCLW-GFCCVEGCSA-N	1	0	363.849	1.783	20	30		FDEDRO
CC#CCNC(=O)C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1	ZINC000453707353	683191869	/nfs/dbraw/zinc/19/18/69/683191869.db2.gz	GUEUPVDXCJFLGT-UHFFFAOYSA-N	1	0	363.845	1.891	20	30		FDEDRO
C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2cnc(C#N)c(Cl)c2)C1	ZINC000453711891	683193216	/nfs/dbraw/zinc/19/32/16/683193216.db2.gz	GTFSZUHDJZJARH-IAQYHMDHSA-N	1	0	361.833	1.488	20	30		FDEDRO
C=CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1	ZINC000457092287	683715427	/nfs/dbraw/zinc/71/54/27/683715427.db2.gz	WZAGWVATRJAUAN-MRXNPFEDSA-N	1	0	365.499	1.706	20	30		FDEDRO
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1	ZINC000459039415	684359917	/nfs/dbraw/zinc/35/99/17/684359917.db2.gz	ICYLAXDFVIPJET-JQHSSLGASA-N	1	0	350.507	1.530	20	30		FDEDRO
CCOC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000459694729	684444928	/nfs/dbraw/zinc/44/49/28/684444928.db2.gz	AHQAQOCRXPEVJI-ROUUACIJSA-N	1	0	350.507	1.570	20	30		FDEDRO
COCCNS(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)cc1	ZINC000463287625	684682349	/nfs/dbraw/zinc/68/23/49/684682349.db2.gz	JRQJEFXBACTYOC-CVEARBPZSA-N	1	0	351.472	1.783	20	30		FDEDRO
COc1cc(C#N)ccc1S(=O)(=O)NC[C@@]1([NH+](C)C)CCSC1	ZINC000464204455	684728903	/nfs/dbraw/zinc/72/89/03/684728903.db2.gz	GEHKLVCMJADJAZ-HNNXBMFYSA-N	1	0	355.485	1.282	20	30		FDEDRO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccccc1N	ZINC000467397186	684858172	/nfs/dbraw/zinc/85/81/72/684858172.db2.gz	RTXWYMPZRFOBNC-UHFFFAOYSA-N	1	0	358.467	1.893	20	30		FDEDRO
C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccs1	ZINC000470815219	685075120	/nfs/dbraw/zinc/07/51/20/685075120.db2.gz	YSHMPPJUWPARHU-KKUMJFAQSA-N	1	0	367.494	1.748	20	30		FDEDRO
COC1(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCCC1	ZINC000483150560	686472727	/nfs/dbraw/zinc/47/27/27/686472727.db2.gz	CIYAYZUYMDXRRA-UHFFFAOYSA-N	1	0	363.483	1.824	20	30		FDEDRO
C=CCNC(=O)c1cccc(S(=O)(=O)NCC[N@@H+](C)CCCC)c1	ZINC000489762681	687113153	/nfs/dbraw/zinc/11/31/53/687113153.db2.gz	BHMKIBRWHSQCFP-UHFFFAOYSA-N	1	0	353.488	1.613	20	30		FDEDRO
C[C@@H](CNS(=O)(=O)c1cc(Br)cc(C#N)c1)C[NH+](C)C	ZINC000490050709	687128924	/nfs/dbraw/zinc/12/89/24/687128924.db2.gz	RMHPKMPEZYROMP-JTQLQIEISA-N	1	0	360.277	1.797	20	30		FDEDRO
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)C1	ZINC000499352406	687942122	/nfs/dbraw/zinc/94/21/22/687942122.db2.gz	QAFHNDDDAPHBOR-IRXDYDNUSA-N	1	0	350.507	1.965	20	30		FDEDRO
CN(CCC#N)C[C@H](O)C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2	ZINC000515612816	689877518	/nfs/dbraw/zinc/87/75/18/689877518.db2.gz	DMQFISLACCDXPC-CQSZACIVSA-N	1	0	353.850	1.797	20	30		FDEDRO
CC(C)[NH2+]C1(CO)CCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1	ZINC000515667775	689883951	/nfs/dbraw/zinc/88/39/51/689883951.db2.gz	UAEBFSMOEYQVIS-UHFFFAOYSA-N	1	0	350.507	1.496	20	30		FDEDRO
N#Cc1ccc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1C(F)(F)F	ZINC000516768988	689988277	/nfs/dbraw/zinc/98/82/77/689988277.db2.gz	KYJMTMTWMQACAA-NWDGAFQWSA-N	1	0	359.373	1.807	20	30		FDEDRO
C=CCNC(=O)NC(=O)C[N@H+](C)CCc1ccc(Br)cc1	ZINC000517379769	690061890	/nfs/dbraw/zinc/06/18/90/690061890.db2.gz	LINZXWQCICTRRR-UHFFFAOYSA-N	1	0	354.248	1.935	20	30		FDEDRO
CS(=O)(=O)N1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1	ZINC000519570233	690223649	/nfs/dbraw/zinc/22/36/49/690223649.db2.gz	AYRWGTBSFUOYFS-GFCCVEGCSA-N	1	0	361.389	1.948	20	30		FDEDRO
C=CCNC(=O)[C@H](C)n1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1	ZINC000640884312	695640461	/nfs/dbraw/zinc/64/04/61/695640461.db2.gz	XOVRNWMFZXCIHD-IINYFYTJSA-N	1	0	364.247	1.952	20	30		FDEDRO
Cc1ncc(C#N)c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1	ZINC001164825112	720310434	/nfs/dbraw/zinc/31/04/34/720310434.db2.gz	SKAMUAXZPLNLGE-ZWKOTPCHSA-N	1	0	368.485	1.568	20	30		FDEDRO
N#Cc1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1	ZINC001164739781	720598753	/nfs/dbraw/zinc/59/87/53/720598753.db2.gz	HFPYKGSNKXCDPX-KGLIPLIRSA-N	1	0	356.817	1.739	20	30		FDEDRO
N#Cc1c(Cl)ncnc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164743782	720647509	/nfs/dbraw/zinc/64/75/09/720647509.db2.gz	QQANACCCEOASMA-VXGBXAGGSA-N	1	0	357.805	1.134	20	30		FDEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3cc(C#N)cc(Cl)n3)CC[C@@H]2C1	ZINC001164849132	720830061	/nfs/dbraw/zinc/83/00/61/720830061.db2.gz	OXHKHLLQKUASJU-CABCVRRESA-N	1	0	350.850	1.780	20	30		FDEDRO
N#Cc1cnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c(C#N)c1	ZINC001164867061	721068985	/nfs/dbraw/zinc/06/89/85/721068985.db2.gz	HEJKIOMJUUTSBP-RBUKOAKNSA-N	1	0	360.421	1.700	20	30		FDEDRO
Cc1nc(C#N)cnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164871574	721126993	/nfs/dbraw/zinc/12/69/93/721126993.db2.gz	FOPFIZLXGBVWEZ-QZTJIDSGSA-N	1	0	350.426	1.531	20	30		FDEDRO
Cc1ccc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc1C#N	ZINC001164869821	721271071	/nfs/dbraw/zinc/27/10/71/721271071.db2.gz	OVHFLAVGDPAOII-UHFFFAOYSA-N	1	0	371.485	1.269	20	30		FDEDRO
CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc(C#N)cn4)C3)O2)CC1	ZINC001164885657	721377917	/nfs/dbraw/zinc/37/79/17/721377917.db2.gz	CXTLPIVKVSLSTF-QUCCMNQESA-N	1	0	355.486	1.719	20	30		FDEDRO
CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nccnc4C#N)C3)O2)CC1	ZINC001164890933	721383240	/nfs/dbraw/zinc/38/32/40/721383240.db2.gz	PJZWNMUUEILBEH-QFBILLFUSA-N	1	0	356.474	1.114	20	30		FDEDRO
CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nccc(F)c4C#N)C3)O2)CC1	ZINC001164891922	721419971	/nfs/dbraw/zinc/41/99/71/721419971.db2.gz	WQOIPRDLYRHYCL-OXQOHEQNSA-N	1	0	373.476	1.858	20	30		FDEDRO
Cc1ccnc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)c1C#N	ZINC001164795581	721509278	/nfs/dbraw/zinc/50/92/78/721509278.db2.gz	LUOYTNDBCLEDDN-UHFFFAOYSA-N	1	0	351.458	1.226	20	30		FDEDRO
N#Cc1nccnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2	ZINC001164959480	722052282	/nfs/dbraw/zinc/05/22/82/722052282.db2.gz	KZXVBZZHXGEPKV-UHFFFAOYSA-N	1	0	364.453	1.862	20	30		FDEDRO
N#Cc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(C#N)c1	ZINC001164978215	722108230	/nfs/dbraw/zinc/10/82/30/722108230.db2.gz	NZFWTZYHCYHXJP-AZUAARDMSA-N	1	0	374.448	1.947	20	30		FDEDRO